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-])[C@H](NC(=O)c1cc2cc(Cl)ccc2o1)c1ccccc1 ZINC000148232984 939032323 /nfs/dbraw/zinc/03/23/23/939032323.db2.gz COZATVYOWVBYFW-OAHLLOKOSA-N -1 0 329.739 3.642 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cccc2cc[nH]c21)c1ccc(Cl)c(F)c1 ZINC000181891194 939033088 /nfs/dbraw/zinc/03/30/88/939033088.db2.gz CUWBUQXCGPJQRI-OAHLLOKOSA-N -1 0 346.745 3.516 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000237568054 939047018 /nfs/dbraw/zinc/04/70/18/939047018.db2.gz PIMROOLYAQKDQB-NSHDSACASA-N -1 0 341.860 3.724 20 0 EHADRM O=C([O-])[C@]1(NC(=O)Nc2cc(F)cc(Cl)c2)CCc2ccccc21 ZINC000684745590 939047476 /nfs/dbraw/zinc/04/74/76/939047476.db2.gz PCNSFESDZMNNSE-KRWDZBQOSA-N -1 0 348.761 3.527 20 0 EHADRM Cc1ccc(C(C)(C)CC(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000237636246 939047867 /nfs/dbraw/zinc/04/78/67/939047867.db2.gz PCKKDNPAGBLZRZ-SFHVURJKSA-N -1 0 325.408 3.605 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21)c1ccccc1 ZINC000238003547 939054069 /nfs/dbraw/zinc/05/40/69/939054069.db2.gz REDMFYXIKZKPGR-ZCNNSNEGSA-N -1 0 345.398 3.885 20 0 EHADRM O=C([O-])[C@H](NC(=O)/C=C\c1ccccc1F)c1ccc2ccccc2c1 ZINC000762207362 939071618 /nfs/dbraw/zinc/07/16/18/939071618.db2.gz QTCIAFMPSSPAGT-ZCPJJFRWSA-N -1 0 349.361 3.934 20 0 EHADRM Cc1cc2[nH]c(C(=O)N[C@](C)(C(=O)[O-])c3ccccc3)cc2c(C)c1 ZINC000766962454 939083652 /nfs/dbraw/zinc/08/36/52/939083652.db2.gz OSJOBSSPAJUORA-FQEVSTJZSA-N -1 0 336.391 3.515 20 0 EHADRM Cc1cc(/C=C\C(=O)N[C@H](C(=O)[O-])C2CC2)c(C)n1C1CCCCC1 ZINC000767041820 939086184 /nfs/dbraw/zinc/08/61/84/939086184.db2.gz QGNIKSSXNKCQHK-GDWUOILNSA-N -1 0 344.455 3.603 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000776619145 939089147 /nfs/dbraw/zinc/08/91/47/939089147.db2.gz QYOSBKROFNNGHB-FQEVSTJZSA-N -1 0 341.407 3.594 20 0 EHADRM CSc1ccc(C)c(C(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2C)c1 ZINC000263187344 939107779 /nfs/dbraw/zinc/10/77/79/939107779.db2.gz XKBOMQXCLOIVJV-QGZVFWFLSA-N -1 0 343.448 3.889 20 0 EHADRM Cc1ccc([C@@H](NC(=O)CC(C)(C)C(F)(F)F)C(=O)[O-])cc1C ZINC000263548931 939116009 /nfs/dbraw/zinc/11/60/09/939116009.db2.gz VNJHFTUTSJXQNB-CYBMUJFWSA-N -1 0 331.334 3.524 20 0 EHADRM CCC1CCC(NC(=O)Nc2ccc(SC)cc2)(C(=O)[O-])CC1 ZINC000320285212 939123709 /nfs/dbraw/zinc/12/37/09/939123709.db2.gz XKHGNSAVTXOJTG-UHFFFAOYSA-N -1 0 336.457 3.954 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CCC(=O)NC2(C(=O)[O-])CCCCCC2)o1 ZINC000323979081 939125493 /nfs/dbraw/zinc/12/54/93/939125493.db2.gz YCBFBIKCZBDTKE-DZGCQCFKSA-N -1 0 333.428 3.629 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2ccc(F)c(C(F)(F)F)c2)CCCCC1 ZINC000324688865 939126221 /nfs/dbraw/zinc/12/62/21/939126221.db2.gz SBALTXBCOUGPFC-UHFFFAOYSA-N -1 0 348.296 3.754 20 0 EHADRM C[C@@](NC(=O)Nc1cccc(Oc2ccccc2)c1)(C(=O)[O-])C1CC1 ZINC000326703318 939127155 /nfs/dbraw/zinc/12/71/55/939127155.db2.gz VOZCUHOPWCRRDO-IBGZPJMESA-N -1 0 340.379 3.854 20 0 EHADRM O=C([O-])C1(NC(=O)CCc2ccc3ccccc3c2)CCCCC1 ZINC000340210111 939127568 /nfs/dbraw/zinc/12/75/68/939127568.db2.gz YHGQFBLHNPHTBI-UHFFFAOYSA-N -1 0 325.408 3.676 20 0 EHADRM CC(C)c1ccccc1NC(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000392074185 939136668 /nfs/dbraw/zinc/13/66/68/939136668.db2.gz ZZUDINHIGDIRTC-IBGZPJMESA-N -1 0 326.396 3.932 20 0 EHADRM CSc1cccc(NC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)c1C ZINC000780713911 939147999 /nfs/dbraw/zinc/14/79/99/939147999.db2.gz KZJQXZAXTKMLSF-OAHLLOKOSA-N -1 0 336.457 3.872 20 0 EHADRM CCCc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000797735372 939197971 /nfs/dbraw/zinc/19/79/71/939197971.db2.gz JSEXQECTTOHNKJ-MRXNPFEDSA-N -1 0 348.349 3.865 20 0 EHADRM Cc1cccc(C)c1CC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000439921647 939203679 /nfs/dbraw/zinc/20/36/79/939203679.db2.gz OQCJJFAQXKXZCI-OAQYLSRUSA-N -1 0 347.414 3.941 20 0 EHADRM CCC(CC)[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000448986350 939204624 /nfs/dbraw/zinc/20/46/24/939204624.db2.gz FEHBUAWEMJSCEL-QMTHXVAHSA-N -1 0 343.370 3.602 20 0 EHADRM CC(C)c1ccc(CCC(=O)N[C@@H](C(=O)[O-])c2cccs2)cc1 ZINC000448993203 939205788 /nfs/dbraw/zinc/20/57/88/939205788.db2.gz MSKZLIPHXJGWOI-QGZVFWFLSA-N -1 0 331.437 3.746 20 0 EHADRM CC[C@@](NC(=O)c1ccc2ccccc2c1)(C(=O)[O-])c1ccccc1 ZINC000485366304 939226870 /nfs/dbraw/zinc/22/68/70/939226870.db2.gz FLJVWGJBWJBERO-NRFANRHFSA-N -1 0 333.387 3.960 20 0 EHADRM CCCc1ccc(C(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)s1 ZINC000864115034 939247071 /nfs/dbraw/zinc/24/70/71/939247071.db2.gz KIEVUOTZIOFZIV-AWEZNQCLSA-N -1 0 339.363 3.535 20 0 EHADRM C[C@@](NC(=O)CCc1ccc(C(F)F)cc1)(C(=O)[O-])c1ccccc1 ZINC000864115271 939247384 /nfs/dbraw/zinc/24/73/84/939247384.db2.gz QNCBSHGCEBPRMB-IBGZPJMESA-N -1 0 347.361 3.673 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](C(=O)[O-])C2CC2)cc1-c1ccsc1 ZINC000871614278 939260080 /nfs/dbraw/zinc/26/00/80/939260080.db2.gz FOGSIWJAWWNMDK-OAHLLOKOSA-N -1 0 330.409 3.708 20 0 EHADRM CC(C)C[C@@H](C)CC(=O)N[C@@H](C(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000537404321 939270353 /nfs/dbraw/zinc/27/03/53/939270353.db2.gz XZBFNAUCMLCTHY-IAQYHMDHSA-N -1 0 343.370 3.602 20 0 EHADRM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)NC1(C(=O)[O-])CCC1 ZINC000900344036 939278211 /nfs/dbraw/zinc/27/82/11/939278211.db2.gz ZWFXQTVVYFDFJO-AWEZNQCLSA-N -1 0 345.443 3.503 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1csc(C2CCCCC2)c1)c1ccccn1 ZINC000907831918 939301603 /nfs/dbraw/zinc/30/16/03/939301603.db2.gz MDJYSTXZNYFAJB-MRXNPFEDSA-N -1 0 344.436 3.747 20 0 EHADRM CCCCCc1ccc(NC(=O)N[C@@]2(C(=O)[O-])CCSC2)cc1 ZINC000555852078 939306643 /nfs/dbraw/zinc/30/66/43/939306643.db2.gz XTBDTSZYWQHJDA-KRWDZBQOSA-N -1 0 336.457 3.501 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1ccc(F)c(C2CC2)c1)c1ccsc1 ZINC000560487924 939318476 /nfs/dbraw/zinc/31/84/76/939318476.db2.gz OWMCZQWBFOFGBC-AWEZNQCLSA-N -1 0 334.372 3.712 20 0 EHADRM CCOc1cccc(NC(=O)N[C@H](C(=O)[O-])c2cccc(C)c2C)c1 ZINC000563500848 939339435 /nfs/dbraw/zinc/33/94/35/939339435.db2.gz NLFWASPDHMFMBQ-KRWDZBQOSA-N -1 0 342.395 3.650 20 0 EHADRM CO[C@@H]1CCC[C@H]([C@H](NC(=O)Nc2ccccc2C(C)C)C(=O)[O-])C1 ZINC000565042773 939346472 /nfs/dbraw/zinc/34/64/72/939346472.db2.gz AUIIMRKCRHOUJM-VBQJREDUSA-N -1 0 348.443 3.590 20 0 EHADRM CCc1ccc(NC(=O)N[C@H](C(=O)[O-])c2cccc(C)c2C)cc1 ZINC000570385980 939383295 /nfs/dbraw/zinc/38/32/95/939383295.db2.gz NLPNGXWVLHWFOO-KRWDZBQOSA-N -1 0 326.396 3.813 20 0 EHADRM CC(C)Sc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC000573864478 939721859 /nfs/dbraw/zinc/72/18/59/939721859.db2.gz LXIADCAGCRABTB-AWEZNQCLSA-N -1 0 335.450 3.804 20 0 EHADRM CC[C@](NC(=O)c1c(C)coc1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000909608040 939723077 /nfs/dbraw/zinc/72/30/77/939723077.db2.gz NDZGEIGAIBWVAO-QGZVFWFLSA-N -1 0 335.787 3.670 20 0 EHADRM Cc1cc(C)cc([C@H](NC(=O)CC(C)(C)CC(F)F)C(=O)[O-])c1 ZINC000909795303 939733792 /nfs/dbraw/zinc/73/37/92/939733792.db2.gz XMSHLUQBXMWPRN-HNNXBMFYSA-N -1 0 327.371 3.617 20 0 EHADRM C[C@@H]1CCC[C@H]1NC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000577817035 939749589 /nfs/dbraw/zinc/74/95/89/939749589.db2.gz BIVMNHFACYMAHT-BZHVJNSISA-N -1 0 345.226 3.607 20 0 EHADRM Cc1cc(CCCC(=O)N[C@@H](C(=O)[O-])c2ccsc2)c(C)s1 ZINC000578084266 939751754 /nfs/dbraw/zinc/75/17/54/939751754.db2.gz ULYDLLXEZGTRGL-OAHLLOKOSA-N -1 0 337.466 3.691 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)N[C@H](C(=O)[O-])c2cccnc2)cc1 ZINC000910985646 939765512 /nfs/dbraw/zinc/76/55/12/939765512.db2.gz BEAHAHXLXGBXST-JUGMSXHOSA-N -1 0 338.407 3.550 20 0 EHADRM CSCc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000619543058 939809980 /nfs/dbraw/zinc/80/99/80/939809980.db2.gz SFUDNRIEFGNYRI-OAHLLOKOSA-N -1 0 348.399 3.636 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CC1CCC(C(F)(F)F)CC1)C1CCCCC1 ZINC000621586170 939811373 /nfs/dbraw/zinc/81/13/73/939811373.db2.gz UEALNNKEKXOIQJ-HGMXIMQMSA-N -1 0 349.393 3.895 20 0 EHADRM Cc1cc(C(F)F)oc1C(=O)N[C@H](C(=O)[O-])c1cccc(C)c1C ZINC000630188240 939814808 /nfs/dbraw/zinc/81/48/08/939814808.db2.gz FAWQCLNDVGGGEU-ZDUSSCGKSA-N -1 0 337.322 3.698 20 0 EHADRM O=C([O-])[C@H](NC(=O)CCc1ccc(C(F)F)cc1)C1CCCCC1 ZINC000630217286 939819033 /nfs/dbraw/zinc/81/90/33/939819033.db2.gz RASWELUNEVNYGH-MRXNPFEDSA-N -1 0 339.382 3.707 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)N[C@@H](C(=O)[O-])C2CCCCCC2)c1 ZINC000653487573 939836362 /nfs/dbraw/zinc/83/63/62/939836362.db2.gz BIVRBJBZKQSELR-SUMWQHHRSA-N -1 0 348.443 3.939 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1ccc(C2CCC2)cc1)c1ccsc1 ZINC000654796942 939839448 /nfs/dbraw/zinc/83/94/48/939839448.db2.gz DVGWEXDNDSVIEC-OAHLLOKOSA-N -1 0 330.409 3.963 20 0 EHADRM CCO[C@@H]1C[C@](NC(=O)CCC2CCCCCC2)(C(=O)[O-])C1(C)C ZINC000656241068 939841526 /nfs/dbraw/zinc/84/15/26/939841526.db2.gz GPZLGSZYSNUDOX-BEFAXECRSA-N -1 0 339.476 3.512 20 0 EHADRM COc1cccc(Oc2ccc(NC(=O)[C@H](C(=O)[O-])C3CC3)cc2)c1 ZINC000656847880 939847152 /nfs/dbraw/zinc/84/71/52/939847152.db2.gz BMDQHSMLSVPPKQ-QGZVFWFLSA-N -1 0 341.363 3.537 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)(C(=O)[O-])CC1 ZINC000659179857 939849593 /nfs/dbraw/zinc/84/95/93/939849593.db2.gz JNXPIHQQTKMAEG-OHTBPHCPSA-N -1 0 335.366 3.505 20 0 EHADRM Cc1ccccc1COc1cccc(NC(=O)[C@H](C(=O)[O-])C2CC2)c1 ZINC000663082426 939853291 /nfs/dbraw/zinc/85/32/91/939853291.db2.gz MJUOHAPLPZYEQX-GOSISDBHSA-N -1 0 339.391 3.623 20 0 EHADRM CC(C)CC(=O)Nc1ccc(NC(=O)[C@H](C(=O)[O-])C2CCCC2)cc1 ZINC000663082201 939853382 /nfs/dbraw/zinc/85/33/82/939853382.db2.gz JZSASOZWLPKXTK-QGZVFWFLSA-N -1 0 346.427 3.501 20 0 EHADRM CC(C)Oc1ccccc1[C@@H](C)NC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC000663083188 939853559 /nfs/dbraw/zinc/85/35/59/939853559.db2.gz JFMYNSHWPNBHGH-DYVFJYSZSA-N -1 0 333.428 3.542 20 0 EHADRM C[C@H](Nc1ccc(NC(=O)[C@@H](C(=O)[O-])C2CC2)cc1)c1ccccc1 ZINC000663096376 939854569 /nfs/dbraw/zinc/85/45/69/939854569.db2.gz LVMUGUKFMRWPKO-UGSOOPFHSA-N -1 0 338.407 3.909 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1cccc(Oc2ccncc2)c1)C1CCCC1 ZINC000663103454 939855016 /nfs/dbraw/zinc/85/50/16/939855016.db2.gz BEVORHFXBBMFBK-QGZVFWFLSA-N -1 0 340.379 3.703 20 0 EHADRM C[C@@H](C(=O)NC1(C(=O)[O-])CCCC1)c1c(Cl)cccc1Cl ZINC000666361821 939860381 /nfs/dbraw/zinc/86/03/81/939860381.db2.gz ZKHOPMKGWJIFAX-SECBINFHSA-N -1 0 330.211 3.611 20 0 EHADRM CC(C)Sc1ccc(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000678978004 939868307 /nfs/dbraw/zinc/86/83/07/939868307.db2.gz SOLYJKOVDUPYLQ-IBGZPJMESA-N -1 0 343.448 3.917 20 0 EHADRM CC(C)c1ccc(CCC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000678985898 939868998 /nfs/dbraw/zinc/86/89/98/939868998.db2.gz CLKBWUBPIPJRAS-LJQANCHMSA-N -1 0 343.398 3.824 20 0 EHADRM O=C([O-])CC1CCN(C(=O)c2ccccc2SC(F)(F)F)CC1 ZINC000321704855 970799746 /nfs/dbraw/zinc/79/97/46/970799746.db2.gz LSWKVYMPCIYYDO-UHFFFAOYSA-N -1 0 347.358 3.625 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cc3cc(F)ccc3s2)CCCCC1 ZINC000322020558 970838416 /nfs/dbraw/zinc/83/84/16/970838416.db2.gz QRBIUQBJQKMEAC-UHFFFAOYSA-N -1 0 335.400 3.948 20 0 EHADRM Cc1cc(C)nc(SCCOc2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC000322655871 970916091 /nfs/dbraw/zinc/91/60/91/970916091.db2.gz YWBYOXTZVXHMLA-VMPITWQZSA-N -1 0 329.421 3.967 20 0 EHADRM CSC1(CNC(=O)Nc2ccc(C(=O)[O-])c(C)c2)CCCCC1 ZINC000323035631 970960496 /nfs/dbraw/zinc/96/04/96/970960496.db2.gz FHOUGTBWJNSUPL-UHFFFAOYSA-N -1 0 336.457 3.881 20 0 EHADRM CC(C)(C)c1cc(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)cc(Cl)n1 ZINC000323202973 970975426 /nfs/dbraw/zinc/97/54/26/970975426.db2.gz GORCHEZFGDPWMU-LBPRGKRZSA-N -1 0 340.851 3.652 20 0 EHADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC001601575692 971023636 /nfs/dbraw/zinc/02/36/36/971023636.db2.gz HXYPEBBRAJQZNY-UMSPYCQHSA-N -1 0 335.812 3.662 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)c1cc(F)ccc1Cl)c1ccccc1 ZINC000323729390 971032598 /nfs/dbraw/zinc/03/25/98/971032598.db2.gz OEMPPPSPWKRDNN-OAHLLOKOSA-N -1 0 335.762 3.815 20 0 EHADRM O=C([O-])c1cncc(NC(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)c1 ZINC001601628460 971034724 /nfs/dbraw/zinc/03/47/24/971034724.db2.gz MFYXPLAJQWJFKU-GOEBONIOSA-N -1 0 339.395 3.628 20 0 EHADRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@H]2CCCC[C@H]2C1 ZINC000323746079 971035158 /nfs/dbraw/zinc/03/51/58/971035158.db2.gz SANCLDISKLWJLD-MNOVXSKESA-N -1 0 338.791 3.963 20 0 EHADRM Cc1ccc(NC(=O)CCOc2cccc(C)c2C)c(C(=O)[O-])c1 ZINC000323898216 971054886 /nfs/dbraw/zinc/05/48/86/971054886.db2.gz OZKLGDYZFXQOPE-UHFFFAOYSA-N -1 0 327.380 3.718 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)[C@@H]1CCCc2sccc21 ZINC000323952242 971064826 /nfs/dbraw/zinc/06/48/26/971064826.db2.gz XHLWHQADKIAZID-CABCVRRESA-N -1 0 335.469 3.708 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)CSc1ccncc1 ZINC000324115215 971086250 /nfs/dbraw/zinc/08/62/50/971086250.db2.gz OQUKYKCCUXODOK-UHFFFAOYSA-N -1 0 338.388 3.664 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc(F)c(C(=O)[O-])c2)o1 ZINC000324156348 971090592 /nfs/dbraw/zinc/09/05/92/971090592.db2.gz CFNYZSJIKVKYGD-GXFFZTMASA-N -1 0 331.343 3.812 20 0 EHADRM Cc1ccc(OCc2nc(-c3ccc(Cl)cc3)no2)c(C(=O)[O-])c1 ZINC000324378654 971114596 /nfs/dbraw/zinc/11/45/96/971114596.db2.gz LBTXMCCSWQPUOK-UHFFFAOYSA-N -1 0 344.754 3.976 20 0 EHADRM CC(C)(C)C(C)(C)CNC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000324514612 971127730 /nfs/dbraw/zinc/12/77/30/971127730.db2.gz UYLYTSPOQFXRJJ-UHFFFAOYSA-N -1 0 328.359 3.857 20 0 EHADRM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccccc1C(=O)[O-] ZINC000324613226 971139774 /nfs/dbraw/zinc/13/97/74/971139774.db2.gz LLGXXRNLBPVYSJ-UHFFFAOYSA-N -1 0 325.408 3.955 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)CCSCc1ccccc1 ZINC001602148650 971156342 /nfs/dbraw/zinc/15/63/42/971156342.db2.gz SNGGDAPSMYFYMG-UHFFFAOYSA-N -1 0 329.421 3.576 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc(-c3ccccc3)[nH]n2)ccc1Cl ZINC000325031062 971177784 /nfs/dbraw/zinc/17/77/84/971177784.db2.gz JDLDWQMRUPTWHC-UHFFFAOYSA-N -1 0 341.754 3.681 20 0 EHADRM O=C([O-])c1cccc(C(=O)OCc2ccccc2Br)c1 ZINC001602433836 971194787 /nfs/dbraw/zinc/19/47/87/971194787.db2.gz QMPQQKYOCGCKOV-UHFFFAOYSA-N -1 0 335.153 3.504 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)C1(c2cccc(F)c2)CCCC1 ZINC001602468645 971203304 /nfs/dbraw/zinc/20/33/04/971203304.db2.gz FTLSDAHKXZWVSN-UHFFFAOYSA-N -1 0 341.382 3.652 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC000325386997 971211156 /nfs/dbraw/zinc/21/11/56/971211156.db2.gz OUYPHYGPECUXDU-CQSZACIVSA-N -1 0 326.396 3.895 20 0 EHADRM COc1ccc(NC(=O)CCSc2ccc(C)cc2)c(C(=O)[O-])c1 ZINC000325421098 971213386 /nfs/dbraw/zinc/21/33/86/971213386.db2.gz NZICGIUMDTZCRU-UHFFFAOYSA-N -1 0 345.420 3.823 20 0 EHADRM Cc1oc(CNC(=O)N(CCC(C)C)CCC(C)C)cc1C(=O)[O-] ZINC000326054295 971263035 /nfs/dbraw/zinc/26/30/35/971263035.db2.gz CFEZTJMNQQCWSQ-UHFFFAOYSA-N -1 0 338.448 3.890 20 0 EHADRM C[C@H]1CCc2sc(C(=O)N3CCc4ccc(C(=O)[O-])cc43)cc2C1 ZINC000326421947 971291857 /nfs/dbraw/zinc/29/18/57/971291857.db2.gz MWOSEVPMTPQOSN-NSHDSACASA-N -1 0 341.432 3.774 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCc2c[nH]c3ccccc23)c(F)cc1F ZINC000326585267 971306207 /nfs/dbraw/zinc/30/62/07/971306207.db2.gz FFWBTOWKKROZKQ-UHFFFAOYSA-N -1 0 344.317 3.716 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000326658186 971314211 /nfs/dbraw/zinc/31/42/11/971314211.db2.gz ZPKVLMFGOYXDTQ-MELADBBJSA-N -1 0 349.393 3.895 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)N2CC[C@H]3CCCC[C@H]3C2)c1F ZINC000326810451 971330482 /nfs/dbraw/zinc/33/04/82/971330482.db2.gz DCCBQMOAMFDLKA-MNOVXSKESA-N -1 0 338.354 3.707 20 0 EHADRM C[C@@H](CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])CC(C)(C)C ZINC000326769862 971325789 /nfs/dbraw/zinc/32/57/89/971325789.db2.gz QSSAYQKZFQZGDO-SUMWQHHRSA-N -1 0 344.455 3.742 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)c2cccc(C(F)(F)F)c2)c1F ZINC000326859882 971337030 /nfs/dbraw/zinc/33/70/30/971337030.db2.gz QVUHZAKFSYMTOW-UHFFFAOYSA-N -1 0 345.223 3.934 20 0 EHADRM CC1(C)CC(NC(=O)Nc2cccc(OCC(=O)[O-])c2)CC(C)(C)C1 ZINC000326904805 971343318 /nfs/dbraw/zinc/34/33/18/971343318.db2.gz KHYVCNYGGWEFOU-UHFFFAOYSA-N -1 0 348.443 3.876 20 0 EHADRM COc1cc(NC(=O)c2cccc(Cl)c2C)c(C(=O)[O-])cc1OC ZINC000326921768 971345587 /nfs/dbraw/zinc/34/55/87/971345587.db2.gz UCBONJHCAHZFSO-UHFFFAOYSA-N -1 0 349.770 3.616 20 0 EHADRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC(Cc3ccccc3)CC2)c1 ZINC000327061454 971362282 /nfs/dbraw/zinc/36/22/82/971362282.db2.gz XIEPCYOIWUFUQU-UHFFFAOYSA-N -1 0 340.379 3.752 20 0 EHADRM O=C([O-])C[C@H]1CN(Cc2ccc(F)c3cccnc23)c2ccccc21 ZINC000327187548 971374857 /nfs/dbraw/zinc/37/48/57/971374857.db2.gz XZMQIOICKAXFJH-AWEZNQCLSA-N -1 0 336.366 3.952 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)NC[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000327638918 971413889 /nfs/dbraw/zinc/41/38/89/971413889.db2.gz SFWHKLUCWJBAOM-KRWDZBQOSA-N -1 0 340.423 3.974 20 0 EHADRM O=C([O-])c1cccc(COc2ccc(C(=O)c3ccccc3)cc2)n1 ZINC000327706141 971420751 /nfs/dbraw/zinc/42/07/51/971420751.db2.gz FGFKXVOKGKCDKI-UHFFFAOYSA-N -1 0 333.343 3.590 20 0 EHADRM COCc1ccc(NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC000327918842 971434783 /nfs/dbraw/zinc/43/47/83/971434783.db2.gz LRDKSEBEXACTPL-UHFFFAOYSA-N -1 0 342.395 3.839 20 0 EHADRM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)Cc1ccccc1C(=O)[O-] ZINC000327931885 971435836 /nfs/dbraw/zinc/43/58/36/971435836.db2.gz GELZOTFXRGHRPE-UHFFFAOYSA-N -1 0 339.435 3.883 20 0 EHADRM CCOc1ccccc1NC(=O)CSCc1ccc(C(=O)[O-])cc1 ZINC000001290523 948772386 /nfs/dbraw/zinc/77/23/86/948772386.db2.gz WNMKYGBTGWUUTQ-UHFFFAOYSA-N -1 0 345.420 3.655 20 0 EHADRM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001589561168 948809271 /nfs/dbraw/zinc/80/92/71/948809271.db2.gz KBXABCLACYUQHB-AWEZNQCLSA-N -1 0 347.802 3.576 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)N1CCC[C@@](CC)(C(=O)[O-])C1 ZINC001589561135 948810046 /nfs/dbraw/zinc/81/00/46/948810046.db2.gz ILKJLRDYOBVNQI-YLJYHZDGSA-N -1 0 331.456 3.667 20 0 EHADRM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)Nc1cccnc1C(=O)[O-] ZINC001589561185 948812233 /nfs/dbraw/zinc/81/22/33/948812233.db2.gz KSNSLGGHMLWQCW-ZDUSSCGKSA-N -1 0 347.802 3.576 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC001589561288 948812541 /nfs/dbraw/zinc/81/25/41/948812541.db2.gz QAYASMYKKFNXPJ-UTKZUKDTSA-N -1 0 339.435 3.680 20 0 EHADRM CC[C@H](NC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)C1CCCC1 ZINC001589565053 948854090 /nfs/dbraw/zinc/85/40/90/948854090.db2.gz YZQFGIMNGZNRRK-YESZJQIVSA-N -1 0 330.428 3.568 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1c[nH]cc1-c1ccccc1 ZINC000339079189 971516267 /nfs/dbraw/zinc/51/62/67/971516267.db2.gz BPBWSANCBGDFEB-UHFFFAOYSA-N -1 0 334.375 3.652 20 0 EHADRM C[C@H](NC(=O)CCC(=O)[O-])c1ccc(Oc2ccccc2)c(F)c1 ZINC000338191245 971516374 /nfs/dbraw/zinc/51/63/74/971516374.db2.gz MSNFVKAGNMDFGR-LBPRGKRZSA-N -1 0 331.343 3.660 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1sc2cc(F)ccc2c1Cl ZINC000044615982 948900736 /nfs/dbraw/zinc/90/07/36/948900736.db2.gz HUODGTBIDURWRZ-VIFPVBQESA-N -1 0 329.780 3.629 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NCCCCc1ccc(Cl)s1 ZINC000340581265 971517482 /nfs/dbraw/zinc/51/74/82/971517482.db2.gz TXWBGBOEHNGMBO-UHFFFAOYSA-N -1 0 331.865 3.731 20 0 EHADRM C[C@@H](C(=O)[O-])N(C)C(=O)c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000342542206 971518759 /nfs/dbraw/zinc/51/87/59/971518759.db2.gz GIUSBUUOWAVEIG-NSHDSACASA-N -1 0 333.771 3.677 20 0 EHADRM Cc1cc2occ(CC(=O)Nc3ccc(CC(=O)[O-])cc3)c2cc1C ZINC000342871755 971518864 /nfs/dbraw/zinc/51/88/64/971518864.db2.gz NYGVXMHXBACSAM-UHFFFAOYSA-N -1 0 337.375 3.858 20 0 EHADRM CC(C)c1ccsc1C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000342543017 971518893 /nfs/dbraw/zinc/51/88/93/971518893.db2.gz HWMKCHLCDXIOQK-GOSISDBHSA-N -1 0 331.437 3.644 20 0 EHADRM Cc1cc2[nH]c(C(=O)N(CC(=O)[O-])Cc3ccccc3)cc2c(C)c1 ZINC000347369042 971525075 /nfs/dbraw/zinc/52/50/75/971525075.db2.gz KEBUGGZVBZLTMN-UHFFFAOYSA-N -1 0 336.391 3.512 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000348393209 971527269 /nfs/dbraw/zinc/52/72/69/971527269.db2.gz BLUUPXFBPUMCTE-CYBMUJFWSA-N -1 0 331.799 3.703 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2ccc(F)cc2)CC2CC2)c(F)c1 ZINC000358596692 971531390 /nfs/dbraw/zinc/53/13/90/971531390.db2.gz SREZSWZVKZBDDV-UHFFFAOYSA-N -1 0 345.345 3.715 20 0 EHADRM CC[C@@H](SC)C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001589585166 949040010 /nfs/dbraw/zinc/04/00/10/949040010.db2.gz NGOVEUPKTFABQK-WCBMZHEXSA-N -1 0 327.471 3.651 20 0 EHADRM CC[C@H](c1ccccc1)N(C(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1)C(C)C ZINC001589585433 949043408 /nfs/dbraw/zinc/04/34/08/949043408.db2.gz IXDDEMQECGBACM-FGTMMUONSA-N -1 0 347.455 3.645 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000362517313 971535747 /nfs/dbraw/zinc/53/57/47/971535747.db2.gz YPFZTABAWYUVCE-SNVBAGLBSA-N -1 0 332.227 3.666 20 0 EHADRM CCc1ccsc1C(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000362519685 971536238 /nfs/dbraw/zinc/53/62/38/971536238.db2.gz NFEXPWBWOILYEA-UHFFFAOYSA-N -1 0 337.828 3.691 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001589587438 949068256 /nfs/dbraw/zinc/06/82/56/949068256.db2.gz RQJNGZOZPYLCQG-JKSUJKDBSA-N -1 0 335.444 3.583 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)CC(C)(C)c2ccc(F)cc2)C1 ZINC001589591574 949091216 /nfs/dbraw/zinc/09/12/16/949091216.db2.gz QBFPIFLTRDXCOO-IBGZPJMESA-N -1 0 335.419 3.597 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)NCC2CCC(C(C)C)CC2)C1 ZINC001589594559 949127349 /nfs/dbraw/zinc/12/73/49/949127349.db2.gz OWNSHKGCMRBQBV-RJYAGPCLSA-N -1 0 338.492 3.735 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2nc3ccccc3cc2Cl)cc1 ZINC001595231137 949351215 /nfs/dbraw/zinc/35/12/15/949351215.db2.gz XIVNBBRXKBBIQB-UHFFFAOYSA-N -1 0 340.766 3.516 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CC[C@H]2c2ccc(F)cc2)c(F)c1 ZINC001595235172 949385476 /nfs/dbraw/zinc/38/54/76/949385476.db2.gz IJFCCNHEJAIUDG-HNNXBMFYSA-N -1 0 332.306 3.642 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2CC[C@@H]2c2ccc(Cl)cc2F)nc1 ZINC001595235453 949387500 /nfs/dbraw/zinc/38/75/00/949387500.db2.gz SCDGTOLAJYOJNU-DGCLKSJQSA-N -1 0 348.761 3.705 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2CSC[C@H]2c2ccccc2)c(F)c1 ZINC001595235651 949392112 /nfs/dbraw/zinc/39/21/12/949392112.db2.gz XIXXBJZENCIUIU-UONOGXRCSA-N -1 0 345.395 3.609 20 0 EHADRM C[C@@H](CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccc(F)cc1F ZINC000191206995 949508202 /nfs/dbraw/zinc/50/82/02/949508202.db2.gz WRXACOVXJFVXMY-STQMWFEESA-N -1 0 339.382 3.562 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N2CCCCC[C@@H]2C(F)(F)F)c1 ZINC001595249693 949542749 /nfs/dbraw/zinc/54/27/49/949542749.db2.gz LKYQYIAGNBAEAQ-GFCCVEGCSA-N -1 0 330.306 3.724 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CC2(CCC2)[C@H]1c1ccccc1 ZINC001595254099 949575936 /nfs/dbraw/zinc/57/59/36/949575936.db2.gz WQLXWKOKYATBPE-LJQANCHMSA-N -1 0 335.403 3.681 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000379059318 971595781 /nfs/dbraw/zinc/59/57/81/971595781.db2.gz OUOJSRWPHSOZAB-BDAKNGLRSA-N -1 0 331.199 3.758 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)N2CCC(C3CCCCC3)CC2)c1 ZINC001595263352 949713205 /nfs/dbraw/zinc/71/32/05/949713205.db2.gz NEJOKMOSILMFLA-UHFFFAOYSA-N -1 0 331.416 3.604 20 0 EHADRM CCCCCc1ccc(NC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)cc1 ZINC001589646824 949742641 /nfs/dbraw/zinc/74/26/41/949742641.db2.gz SKKUVLAPJASQIP-NVXWUHKLSA-N -1 0 333.428 3.628 20 0 EHADRM O=C([O-])CCCCCNC(=O)CSc1ccc2ccccc2c1 ZINC000232703478 949784480 /nfs/dbraw/zinc/78/44/80/949784480.db2.gz XWOYNQVIZRSCAO-UHFFFAOYSA-N -1 0 331.437 3.693 20 0 EHADRM CCCCOc1cccc(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])c1 ZINC001589654598 949805372 /nfs/dbraw/zinc/80/53/72/949805372.db2.gz SXPZWHPQKZBQGU-AWEZNQCLSA-N -1 0 336.432 3.734 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)Nc1ccccc1N1CCCCCC1)C1CC1 ZINC001602815154 971613812 /nfs/dbraw/zinc/61/38/12/971613812.db2.gz NNQDPKCKVOGAJP-AWEZNQCLSA-N -1 0 345.443 3.536 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)N1CCC[C@@H](C2CCCCC2)C1 ZINC001595273037 949858813 /nfs/dbraw/zinc/85/88/13/949858813.db2.gz GBOMPQZVILNHAF-CQSZACIVSA-N -1 0 331.416 3.604 20 0 EHADRM O=C([O-])c1ccc(C(=O)OCc2c(Cl)ccc(F)c2Cl)cn1 ZINC001595276746 949925976 /nfs/dbraw/zinc/92/59/76/949925976.db2.gz ONHKWMLOYMGDRO-UHFFFAOYSA-N -1 0 344.125 3.583 20 0 EHADRM CCC(CC)(CNC(=O)Cc1coc2c1ccc(C)c2C)C(=O)[O-] ZINC000236848066 949940743 /nfs/dbraw/zinc/94/07/43/949940743.db2.gz RENHZOUBTVFVPI-UHFFFAOYSA-N -1 0 331.412 3.599 20 0 EHADRM CN(CCC(=O)[O-])C(=O)c1ccc(SCc2ccccc2)cc1 ZINC000237235994 949957346 /nfs/dbraw/zinc/95/73/46/949957346.db2.gz NQZMEPIYBSMRQP-UHFFFAOYSA-N -1 0 329.421 3.526 20 0 EHADRM CCCOc1ccc(NC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1C ZINC001589681311 950049518 /nfs/dbraw/zinc/04/95/18/950049518.db2.gz KAKBWCCHACTSMJ-KGLIPLIRSA-N -1 0 334.416 3.501 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000262232063 950092765 /nfs/dbraw/zinc/09/27/65/950092765.db2.gz VKVHNVBWJJZKCU-TWUFHKLRSA-N -1 0 327.424 3.582 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)c1 ZINC000262350529 950111739 /nfs/dbraw/zinc/11/17/39/950111739.db2.gz FBIXHCNJYZUUGN-GJZGRUSLSA-N -1 0 345.345 3.724 20 0 EHADRM CCCc1ccc(CCCC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1 ZINC001589691720 950124085 /nfs/dbraw/zinc/12/40/85/950124085.db2.gz UGMWIWSMNCUXQQ-QAPCUYQASA-N -1 0 331.456 3.674 20 0 EHADRM CC(C)(C)c1ccc2cc(C(=O)N3CCCC[C@H]3C(=O)[O-])[nH]c2c1 ZINC000262522824 950134805 /nfs/dbraw/zinc/13/48/05/950134805.db2.gz FORMJKOREPDGPF-INIZCTEOSA-N -1 0 328.412 3.545 20 0 EHADRM C[C@H](CC(=O)N([C@@H](C)C(=O)[O-])C1CC1)c1cccc(C(F)(F)F)c1 ZINC000262578980 950140181 /nfs/dbraw/zinc/14/01/81/950140181.db2.gz FFQYUBUXAQKKOU-MNOVXSKESA-N -1 0 343.345 3.663 20 0 EHADRM CCN(C(=O)c1ccc(-c2ccc(F)cc2)cc1F)[C@H](C)C(=O)[O-] ZINC001589705188 950272650 /nfs/dbraw/zinc/27/26/50/950272650.db2.gz FHWVVCXBMQBJEZ-LLVKDONJSA-N -1 0 333.334 3.567 20 0 EHADRM CCN(C(=O)c1ccc(OCC2CCCCC2)cc1)[C@@H](C)C(=O)[O-] ZINC001589711292 950331840 /nfs/dbraw/zinc/33/18/40/950331840.db2.gz QLFFDCMTTZJEPQ-AWEZNQCLSA-N -1 0 333.428 3.581 20 0 EHADRM C[C@H](NC(=O)CCCCC(=O)[O-])c1ccc(-c2ccncc2)cc1 ZINC000263332400 950377241 /nfs/dbraw/zinc/37/72/41/950377241.db2.gz VGJYHOIZMBWJAL-AWEZNQCLSA-N -1 0 326.396 3.571 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccccc2NC2CCCCC2)C1 ZINC000263400689 950440146 /nfs/dbraw/zinc/44/01/46/950440146.db2.gz ZYSMAORZHSUBAB-HUUCEWRRSA-N -1 0 344.455 3.614 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000263522419 950501206 /nfs/dbraw/zinc/50/12/06/950501206.db2.gz RRXTUYGVWFZVMY-MWLCHTKSSA-N -1 0 335.787 3.720 20 0 EHADRM CCc1ccc(NC(=O)c2ccoc2Br)c(C(=O)[O-])c1 ZINC000380265668 971687792 /nfs/dbraw/zinc/68/77/92/971687792.db2.gz UXKUYQFCQYGVCI-UHFFFAOYSA-N -1 0 338.157 3.555 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)Nc2ccccc2OC(F)(F)F)co1 ZINC001594970637 950846877 /nfs/dbraw/zinc/84/68/77/950846877.db2.gz KFBJNDBQOSZUND-AATRIKPKSA-N -1 0 341.241 3.528 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC[C@H]1C(=O)[O-] ZINC000319026486 950944398 /nfs/dbraw/zinc/94/43/98/950944398.db2.gz RRDJBFBYNCULAF-IONNQARKSA-N -1 0 349.189 3.707 20 0 EHADRM CCCN(CC(F)(F)F)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000322708200 951034685 /nfs/dbraw/zinc/03/46/85/951034685.db2.gz NRQDLLSTPUCJAK-UHFFFAOYSA-N -1 0 332.322 3.510 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000325417891 951084267 /nfs/dbraw/zinc/08/42/67/951084267.db2.gz VZHGHDDQBICXSD-UHFFFAOYSA-N -1 0 348.742 3.518 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CCC(=O)NC2(CC(=O)[O-])CCCCC2)o1 ZINC000325553692 951087058 /nfs/dbraw/zinc/08/70/58/951087058.db2.gz LVRUOHWRHXNNCD-UKRRQHHQSA-N -1 0 333.428 3.629 20 0 EHADRM C[C@@](NC(=O)c1ccc(F)c2ccccc12)(C(=O)[O-])c1ccccc1 ZINC000327870576 951119669 /nfs/dbraw/zinc/11/96/69/951119669.db2.gz QUJNJCARWYNHIN-FQEVSTJZSA-N -1 0 337.350 3.709 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)Cc2cccc3ccccc32)Cc2ccccc21 ZINC000347354474 951133474 /nfs/dbraw/zinc/13/34/74/951133474.db2.gz AGGAXBKFOCQKHK-FQEVSTJZSA-N -1 0 345.398 3.593 20 0 EHADRM CC(C)C[C@@H](NC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000360832585 951135554 /nfs/dbraw/zinc/13/55/54/951135554.db2.gz LIPHSWKVNFMWSS-TVQRCGJNSA-N -1 0 332.227 3.712 20 0 EHADRM COc1ccc2sc(C(=O)N3CCC(C)(C(=O)[O-])CC3)c(C)c2c1 ZINC000364198646 951138583 /nfs/dbraw/zinc/13/85/83/951138583.db2.gz SNGYUYDCGGRSQP-UHFFFAOYSA-N -1 0 347.436 3.545 20 0 EHADRM CCO[C@@H](CCNC(=O)C1(C(=O)[O-])CCCCCC1)C1CCCC1 ZINC001591703375 951162026 /nfs/dbraw/zinc/16/20/26/951162026.db2.gz KUESXIRWAXBQEZ-INIZCTEOSA-N -1 0 339.476 3.513 20 0 EHADRM CCOc1cc(C)ccc1NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001592094327 951298834 /nfs/dbraw/zinc/29/88/34/951298834.db2.gz LZXCLQKIZUPZPE-AWEZNQCLSA-N -1 0 334.416 3.502 20 0 EHADRM CCOc1ccc(CN2C[C@H](CCC(=O)[O-])Cc3ccccc32)nc1 ZINC001592447919 951338053 /nfs/dbraw/zinc/33/80/53/951338053.db2.gz SFSYGLYFSHPKNP-OAHLLOKOSA-N -1 0 340.423 3.524 20 0 EHADRM CCCOc1ccc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000392104731 951411662 /nfs/dbraw/zinc/41/16/62/951411662.db2.gz CLRQWKRGNVJQEU-HNNXBMFYSA-N -1 0 334.416 3.727 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)NCc2cccc3ccccc32)cc1 ZINC000392985878 951427623 /nfs/dbraw/zinc/42/76/23/951427623.db2.gz UPDKLKNLFIAJGW-UHFFFAOYSA-N -1 0 334.375 3.537 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)Nc2cc(C3CCCC3)[nH]n2)c1 ZINC001595064541 951539101 /nfs/dbraw/zinc/53/91/01/951539101.db2.gz ZMENXFKGVKHGFV-UHFFFAOYSA-N -1 0 342.399 3.729 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cc3c(s2)CCCCCC3)C1 ZINC000399073971 951631484 /nfs/dbraw/zinc/63/14/84/951631484.db2.gz RGLBQPLITIACBZ-GXTWGEPZSA-N -1 0 335.469 3.590 20 0 EHADRM O=C([O-])COc1ccc(C(=O)Oc2ccc(C3CCC3)cc2)cc1 ZINC001595119760 951967727 /nfs/dbraw/zinc/96/77/27/951967727.db2.gz GSGJQQQSHFFFAT-UHFFFAOYSA-N -1 0 326.348 3.637 20 0 EHADRM O=C([O-])Cc1cccc(NCc2cc(O)cc(C(F)(F)F)c2)c1 ZINC001595132793 952045676 /nfs/dbraw/zinc/04/56/76/952045676.db2.gz TYAPENWVLDZLLX-UHFFFAOYSA-N -1 0 325.286 3.650 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)NCC1CC(c2ccccc2)C1 ZINC001595137137 952061182 /nfs/dbraw/zinc/06/11/82/952061182.db2.gz YADJCZYRVQXIKN-UHFFFAOYSA-N -1 0 338.407 3.629 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1(c2cccc(Cl)c2)CCCC1 ZINC001595169191 952218237 /nfs/dbraw/zinc/21/82/37/952218237.db2.gz ICPZOMGFZXYYEO-CABCVRRESA-N -1 0 335.831 3.521 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N[C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC001595179239 952245064 /nfs/dbraw/zinc/24/50/64/952245064.db2.gz IOXPQPYWEGVNDD-ARLBYUKCSA-N -1 0 335.831 3.593 20 0 EHADRM O=C([O-])c1cc(NC(=O)C2(c3cccc(F)c3)CCCC2)ccc1O ZINC001595207817 952342857 /nfs/dbraw/zinc/34/28/57/952342857.db2.gz HUKUADJVFFQOEG-UHFFFAOYSA-N -1 0 343.354 3.680 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccccc2Sc2ccccc2)[nH]n1 ZINC001595209585 952358031 /nfs/dbraw/zinc/35/80/31/952358031.db2.gz PRYCMFUHRJZFRP-UHFFFAOYSA-N -1 0 339.376 3.511 20 0 EHADRM O=C([O-])c1ccc(Br)c(NC(=O)[C@@H]2CCC[C@@H](F)C2)c1 ZINC001595214172 952364513 /nfs/dbraw/zinc/36/45/13/952364513.db2.gz BLGVXLJFWTXSOU-PSASIEDQSA-N -1 0 344.180 3.614 20 0 EHADRM CCc1csc(SCCOc2ccc(/C=C/C(=O)[O-])cc2)n1 ZINC000383172333 971853958 /nfs/dbraw/zinc/85/39/58/971853958.db2.gz JPWCSJTXTMQIDP-VMPITWQZSA-N -1 0 335.450 3.974 20 0 EHADRM CC(C)(C)c1ccc(CCNC(=O)[C@H](C(=O)[O-])C2CCCC2)cc1 ZINC001602922972 971883224 /nfs/dbraw/zinc/88/32/24/971883224.db2.gz KYAJTDFFNNSSBM-QGZVFWFLSA-N -1 0 331.456 3.534 20 0 EHADRM CCSCC[C@H](C)N(C)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001593599019 953397577 /nfs/dbraw/zinc/39/75/77/953397577.db2.gz IJOQLGLWVXEKOX-ZDUSSCGKSA-N -1 0 338.473 3.699 20 0 EHADRM CCOc1ccc(CNc2cccc(CC(=O)[O-])c2)cc1OCC ZINC000414641241 953406810 /nfs/dbraw/zinc/40/68/10/953406810.db2.gz TUAAJQFBYYPRFD-UHFFFAOYSA-N -1 0 329.396 3.723 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000417731949 953414678 /nfs/dbraw/zinc/41/46/78/953414678.db2.gz OGNMSGKNCGWGSH-UHFFFAOYSA-N -1 0 326.396 3.705 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)NCCC(C)(C)C(=O)[O-] ZINC000424390138 953457126 /nfs/dbraw/zinc/45/71/26/953457126.db2.gz DSOZSULLTWAJNM-LBPRGKRZSA-N -1 0 332.400 3.602 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1cccc(C(C)(F)F)c1)C(=O)[O-] ZINC000424395334 953460532 /nfs/dbraw/zinc/46/05/32/953460532.db2.gz ZITZYVLOWKLRBW-LLVKDONJSA-N -1 0 328.359 3.667 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)NCCCC2CCCC2)c2ccccc21 ZINC001594757227 953474293 /nfs/dbraw/zinc/47/42/93/953474293.db2.gz NXYWWBCFSQQTMX-SJORKVTESA-N -1 0 330.428 3.569 20 0 EHADRM Cc1ccc(CN(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])C(C)C)s1 ZINC000424423375 953480075 /nfs/dbraw/zinc/48/00/75/953480075.db2.gz NXIANYGWUGMFHW-CQSZACIVSA-N -1 0 340.489 3.723 20 0 EHADRM CC[C@H](C)[C@H](Nc1ccnc(CSc2ccccc2)n1)C(=O)[O-] ZINC001593614622 953492175 /nfs/dbraw/zinc/49/21/75/953492175.db2.gz ARMBIMIJGSMKHG-LRDDRELGSA-N -1 0 331.441 3.680 20 0 EHADRM Cc1cc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)n(C(C)(C)C)n1 ZINC000557177100 953585635 /nfs/dbraw/zinc/58/56/35/953585635.db2.gz GBPGKZMVSNQWST-UHFFFAOYSA-N -1 0 344.415 3.608 20 0 EHADRM CCc1cc(OCC(=O)Nc2sccc2C(=O)[O-])ccc1Cl ZINC001593633745 953595649 /nfs/dbraw/zinc/59/56/49/953595649.db2.gz GPIQWIRBDZNVKD-UHFFFAOYSA-N -1 0 339.800 3.680 20 0 EHADRM CC(C)c1cc(C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)c2ccccc2n1 ZINC000563145387 953596105 /nfs/dbraw/zinc/59/61/05/953596105.db2.gz WWWPUOGSCFWYHA-CZUORRHYSA-N -1 0 340.423 3.541 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C[C@@H](c2ccccc2)C1 ZINC001589291790 953609731 /nfs/dbraw/zinc/60/97/31/953609731.db2.gz TXKHVCYZRIZCCX-XEIOYGOASA-N -1 0 329.440 3.576 20 0 EHADRM CCc1ccc([C@@H]2CN(Cc3ccc(C(=O)[O-])s3)CCO2)cc1 ZINC000565107708 953612889 /nfs/dbraw/zinc/61/28/89/953612889.db2.gz WLFJJSRINKTUKX-INIZCTEOSA-N -1 0 331.437 3.582 20 0 EHADRM CCc1ccc(CN(CC(C)C)C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001593637926 953622950 /nfs/dbraw/zinc/62/29/50/953622950.db2.gz UOXFWGSNOSFDBR-ZWKOTPCHSA-N -1 0 331.456 3.735 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1c(Cl)oc2ccccc21)c1ccccc1 ZINC001594784853 953657496 /nfs/dbraw/zinc/65/74/96/953657496.db2.gz BGNBEQGOGSVLNJ-AWEZNQCLSA-N -1 0 329.739 3.642 20 0 EHADRM COc1cc2c(cc1CNc1cccc(CCC(=O)[O-])c1)O[C@H](C)C2 ZINC000571862133 953664125 /nfs/dbraw/zinc/66/41/25/953664125.db2.gz JJUDOVVRPYWEMX-CYBMUJFWSA-N -1 0 341.407 3.648 20 0 EHADRM Cc1c(C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)oc2c1c(C)ccc2C ZINC000572121439 953667748 /nfs/dbraw/zinc/66/77/48/953667748.db2.gz WAEJUNPFODMLKQ-IINYFYTJSA-N -1 0 329.396 3.541 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1ccc2ccnc(Cl)c2c1 ZINC001589302955 953703595 /nfs/dbraw/zinc/70/35/95/953703595.db2.gz CILSBNAEXWJAAT-CMPLNLGQSA-N -1 0 347.802 3.605 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)N(Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC000578893283 953704202 /nfs/dbraw/zinc/70/42/02/953704202.db2.gz CNJQHPXXWFPMNR-NSHDSACASA-N -1 0 343.345 3.697 20 0 EHADRM CCc1nc2ccc(Cl)cn2c1C(=O)Nc1sccc1C(=O)[O-] ZINC001593651238 953708879 /nfs/dbraw/zinc/70/88/79/953708879.db2.gz OFNFBBBMYWPCGU-UHFFFAOYSA-N -1 0 349.799 3.562 20 0 EHADRM CCc1nc2ccc(NC(=O)Cc3ccccc3C(=O)[O-])cc2s1 ZINC001593651503 953711809 /nfs/dbraw/zinc/71/18/09/953711809.db2.gz UPJHXCUZKBSYPO-UHFFFAOYSA-N -1 0 340.404 3.738 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2cc(Cl)c(Cl)cc2F)CCCC1 ZINC001594801380 953737825 /nfs/dbraw/zinc/73/78/25/953737825.db2.gz FNELLZWRABTAIS-UHFFFAOYSA-N -1 0 335.162 3.651 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1ccc(Cl)c2ncccc12 ZINC001589306952 953754658 /nfs/dbraw/zinc/75/46/58/953754658.db2.gz ZLGMTBQIMIKURI-GHMZBOCLSA-N -1 0 347.802 3.605 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2F)c1 ZINC001594809044 953799255 /nfs/dbraw/zinc/79/92/55/953799255.db2.gz JCWKKNNCIAIMRA-HOTGVXAUSA-N -1 0 328.343 3.532 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)Nc2nc(C3CCCCC3)cs2)C1 ZINC000630570673 953866959 /nfs/dbraw/zinc/86/69/59/953866959.db2.gz MFCGLTROZSQGBK-LBPRGKRZSA-N -1 0 337.445 3.519 20 0 EHADRM C[C@@H]1CCCN(C(=O)Cc2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)[O-] ZINC001589325956 953909487 /nfs/dbraw/zinc/90/94/87/953909487.db2.gz WJQHSQFMWNNTBZ-QRWLVFNGSA-N -1 0 337.419 3.608 20 0 EHADRM CN(C(=O)C1(C(=O)[O-])CCSCC1)c1cc(Cl)cc(Cl)c1 ZINC001593674986 953911257 /nfs/dbraw/zinc/91/12/57/953911257.db2.gz HLYVTHLMVYUPME-UHFFFAOYSA-N -1 0 348.251 3.554 20 0 EHADRM CN(C(=O)NCC1(C(=O)[O-])CCC1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC001593677316 953940977 /nfs/dbraw/zinc/94/09/77/953940977.db2.gz FKJFAYOXSMZXLU-DLBZAZTESA-N -1 0 344.455 3.609 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](Nc2cnc3cc(Cl)c(Cl)cc3n2)C1 ZINC000647459228 953960314 /nfs/dbraw/zinc/96/03/14/953960314.db2.gz XCWGWDFTWFIBNB-SFYZADRCSA-N -1 0 326.183 3.602 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000647694759 953965583 /nfs/dbraw/zinc/96/55/83/953965583.db2.gz TVRWTMNXDBZJLI-WMLDXEAASA-N -1 0 348.443 3.686 20 0 EHADRM Cc1ccc2cc(Cl)cc(C(=O)N3CCCC[C@@H]3CC(=O)[O-])c2n1 ZINC000649247984 953988317 /nfs/dbraw/zinc/98/83/17/953988317.db2.gz TVFJVDWMUAYZTL-CQSZACIVSA-N -1 0 346.814 3.666 20 0 EHADRM CCOc1ccccc1-c1cccc(C(=O)NC[C@H](CC)C(=O)[O-])c1 ZINC000649265185 953993923 /nfs/dbraw/zinc/99/39/23/953993923.db2.gz UTYHQXWYNQLRRH-AWEZNQCLSA-N -1 0 341.407 3.593 20 0 EHADRM Cc1cc(-c2ncccc2NC(=O)NC2(CC(=O)[O-])CCC2)cs1 ZINC000649542363 954003796 /nfs/dbraw/zinc/00/37/96/954003796.db2.gz DKXOCAUEFLBTLF-UHFFFAOYSA-N -1 0 345.424 3.637 20 0 EHADRM CC(C)c1cccc(C(C)C)c1NC(=O)CN(CC(=O)[O-])CC1CC1 ZINC000650512696 954025019 /nfs/dbraw/zinc/02/50/19/954025019.db2.gz RHUOWYJIPCCJET-UHFFFAOYSA-N -1 0 346.471 3.669 20 0 EHADRM C[C@H]1CCN(C(=O)NCc2cccc(C(=O)[O-])c2)[C@H]1c1ccccc1 ZINC001589343885 954035766 /nfs/dbraw/zinc/03/57/66/954035766.db2.gz JTRDOWFEFMWBSR-KBXCAEBGSA-N -1 0 338.407 3.678 20 0 EHADRM C[C@@H]1CCN(C(=O)N[C@H]2CCC(C)(C)c3ccccc32)C[C@@H]1C(=O)[O-] ZINC001589344571 954042782 /nfs/dbraw/zinc/04/27/82/954042782.db2.gz DYBSTCNMCSFYDT-KMFMINBZSA-N -1 0 344.455 3.551 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@H]1CC[C@H](C2CCC2)CC1)c1ccc(F)cc1 ZINC001594843262 954101140 /nfs/dbraw/zinc/10/11/40/954101140.db2.gz OEJWHSRYYRTPJS-QRTARXTBSA-N -1 0 333.403 3.674 20 0 EHADRM CCc1sc(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1C ZINC000653333672 954165720 /nfs/dbraw/zinc/16/57/20/954165720.db2.gz RRIYTTIVSIAGPF-UONOGXRCSA-N -1 0 329.421 3.662 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000653535759 954182113 /nfs/dbraw/zinc/18/21/13/954182113.db2.gz CNQVALUXTOERMM-VBNZEHGJSA-N -1 0 348.443 3.731 20 0 EHADRM O=C([O-])C1(C(=O)N[C@@H](Cc2ccccc2)C2CC2)CCCCCC1 ZINC001594852539 954207814 /nfs/dbraw/zinc/20/78/14/954207814.db2.gz XANBYDCFCXFWCX-KRWDZBQOSA-N -1 0 329.440 3.549 20 0 EHADRM C[C@@H](NC(=O)[C@@]1(C)CCCc2ccccc21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655586417 954228659 /nfs/dbraw/zinc/22/86/59/954228659.db2.gz TUCPOUAEZLPQPT-YFPSAGDSSA-N -1 0 343.467 3.532 20 0 EHADRM O=C([O-])[C@@]1(C(=O)NCC2(Cc3ccccc3)CCCC2)CC=CCC1 ZINC001594855743 954231507 /nfs/dbraw/zinc/23/15/07/954231507.db2.gz BSUWLQPZEAVSJP-NRFANRHFSA-N -1 0 341.451 3.717 20 0 EHADRM CC(C)[C@H](CNC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1)C(=O)[O-] ZINC000655890886 954271559 /nfs/dbraw/zinc/27/15/59/954271559.db2.gz UXPVITSJFBJNDC-LSDHHAIUSA-N -1 0 338.835 3.543 20 0 EHADRM COc1cc(NC(=O)N(Cc2ccccc2)C(C)C)ccc1C(=O)[O-] ZINC000385461537 972000555 /nfs/dbraw/zinc/00/05/55/972000555.db2.gz XHUCJGSQRQCBMK-UHFFFAOYSA-N -1 0 342.395 3.836 20 0 EHADRM O=C([O-])C1(C(=O)NC[C@@H]2CC=CC[C@H]2C(F)(F)F)CCCCCC1 ZINC001594863998 954307191 /nfs/dbraw/zinc/30/71/91/954307191.db2.gz SVXGKVCEEAQPRE-QWHCGFSZSA-N -1 0 347.377 3.673 20 0 EHADRM CN(CCC(=O)[O-])C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 ZINC001593736010 954336220 /nfs/dbraw/zinc/33/62/20/954336220.db2.gz ZZYRLRQLGOMZJR-UHFFFAOYSA-N -1 0 334.322 3.570 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)CCC1 ZINC001594871055 954356873 /nfs/dbraw/zinc/35/68/73/954356873.db2.gz MMQBOZQGUJJCQE-UHFFFAOYSA-N -1 0 336.347 3.688 20 0 EHADRM Cc1ccc(Cc2ccccn2)cc1NC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC000663050014 954422312 /nfs/dbraw/zinc/42/23/12/954422312.db2.gz QKMWHOGQINPITE-QGZVFWFLSA-N -1 0 340.423 3.666 20 0 EHADRM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC001593755469 954448501 /nfs/dbraw/zinc/44/85/01/954448501.db2.gz MTHJLHDIALQJCI-GFCCVEGCSA-N -1 0 332.227 3.699 20 0 EHADRM O=C([O-])C1(c2noc(-c3cc(-c4cccc(Cl)c4)on3)n2)CCC1 ZINC001594884777 954451982 /nfs/dbraw/zinc/45/19/82/954451982.db2.gz ONUKGAKEBNZDPN-UHFFFAOYSA-N -1 0 345.742 3.551 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000663076080 954452343 /nfs/dbraw/zinc/45/23/43/954452343.db2.gz UCUCAHHETOOXQR-QGZVFWFLSA-N -1 0 330.409 3.613 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000663098382 954482945 /nfs/dbraw/zinc/48/29/45/954482945.db2.gz QYMRAITUSBAZIM-HNNXBMFYSA-N -1 0 328.368 3.559 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCCc2ccc(-c3ccccc3)cc2)C1 ZINC000666364293 954545906 /nfs/dbraw/zinc/54/59/06/954545906.db2.gz ORKJLTLHLXXCPF-RBUKOAKNSA-N -1 0 337.419 3.513 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000666523371 954549243 /nfs/dbraw/zinc/54/92/43/954549243.db2.gz YFGBHCGTVFYEIO-CVEARBPZSA-N -1 0 346.471 3.639 20 0 EHADRM COc1ccc([C@@H](NC(=O)CCCCC(=O)[O-])c2ccccc2)cc1 ZINC000674945752 954579731 /nfs/dbraw/zinc/57/97/31/954579731.db2.gz SJJBCBCMHNNAJB-FQEVSTJZSA-N -1 0 341.407 3.546 20 0 EHADRM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000679396543 954592924 /nfs/dbraw/zinc/59/29/24/954592924.db2.gz LWXSKFXTWLVUDW-GOEBONIOSA-N -1 0 347.455 3.607 20 0 EHADRM Cc1nc(-c2ccccc2)ccc1C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000683326645 954604553 /nfs/dbraw/zinc/60/45/53/954604553.db2.gz ZCUFWDWXSNWJGN-INIZCTEOSA-N -1 0 338.407 3.526 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC001589432816 954659119 /nfs/dbraw/zinc/65/91/19/954659119.db2.gz OEOBNVDMMMPFDJ-ZDUSSCGKSA-N -1 0 344.238 3.737 20 0 EHADRM CN1CCCc2cc(COC(=O)C3(C(=O)[O-])CCCCCC3)ccc21 ZINC001593780926 954660444 /nfs/dbraw/zinc/66/04/44/954660444.db2.gz DBBFTMXMVMMWLM-UHFFFAOYSA-N -1 0 345.439 3.537 20 0 EHADRM CC(C)[C@H]1CCCN1c1ccc(NC(=O)C2(C(=O)[O-])CCC2)cc1F ZINC001603000004 972039516 /nfs/dbraw/zinc/03/95/16/972039516.db2.gz NRNHOQBPYUNSHX-OAHLLOKOSA-N -1 0 348.418 3.644 20 0 EHADRM CCC(C)(C)CC(=O)Nc1scc(-c2cnn(C)c2)c1C(=O)[O-] ZINC001589449196 954792160 /nfs/dbraw/zinc/79/21/60/954792160.db2.gz UMXHSRVZOGYDOL-UHFFFAOYSA-N -1 0 335.429 3.612 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1ccccc1C(=O)[O-])c1nc(C)cs1 ZINC001589451173 954799606 /nfs/dbraw/zinc/79/96/06/954799606.db2.gz NOPTYXIKHKWKBW-MRXNPFEDSA-N -1 0 333.413 3.597 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1cccc2ccsc21 ZINC000386451927 972054976 /nfs/dbraw/zinc/05/49/76/972054976.db2.gz QURXPXUNVOXWHJ-INIZCTEOSA-N -1 0 337.400 3.726 20 0 EHADRM CCC(CC)(CNC(=O)NCc1ccc(-c2ccccc2)o1)C(=O)[O-] ZINC001589496472 955018259 /nfs/dbraw/zinc/01/82/59/955018259.db2.gz RTUPVFFZNFTLOV-UHFFFAOYSA-N -1 0 344.411 3.637 20 0 EHADRM COc1cccc(Oc2ccc(NC(=O)CCCC(=O)[O-])cc2)c1 ZINC000753977976 955264246 /nfs/dbraw/zinc/26/42/46/955264246.db2.gz YZJXTGPCJPUNBV-UHFFFAOYSA-N -1 0 329.352 3.681 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)c1csc(-c2cccc3ccccc32)n1 ZINC001589001773 955333469 /nfs/dbraw/zinc/33/34/69/955333469.db2.gz HIOAGLVPEURIHA-LLVKDONJSA-N -1 0 340.404 3.556 20 0 EHADRM Cc1oc(C(C)(C)C)cc1C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001594505687 955353975 /nfs/dbraw/zinc/35/39/75/955353975.db2.gz ABETWCMJRZTQQR-INIZCTEOSA-N -1 0 341.407 3.710 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 ZINC000828153038 955536494 /nfs/dbraw/zinc/53/64/94/955536494.db2.gz DZAXUSPVYVZQRR-OCCSQVGLSA-N -1 0 347.308 3.572 20 0 EHADRM C/C(=C/C(=O)NCCC(C)(C)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000836750086 955562868 /nfs/dbraw/zinc/56/28/68/955562868.db2.gz WSKHRYRDBVBIDB-KHPPLWFESA-N -1 0 343.345 3.726 20 0 EHADRM C[C@H]1CN(c2ccc(NCc3cccc(C(=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000840994502 955580157 /nfs/dbraw/zinc/58/01/57/955580157.db2.gz YRMBCTFSACYIED-GJZGRUSLSA-N -1 0 340.423 3.611 20 0 EHADRM COc1ccc(NC2CCC(C(=O)[O-])CC2)c(Br)c1 ZINC000840994463 955580639 /nfs/dbraw/zinc/58/06/39/955580639.db2.gz GUYCMSWQJHTNFS-UHFFFAOYSA-N -1 0 328.206 3.513 20 0 EHADRM O=C([O-])c1cccc(CNc2ccc(O[C@H]3CCCC[C@@H]3O)cc2)c1 ZINC000840994799 955582927 /nfs/dbraw/zinc/58/29/27/955582927.db2.gz MYFZVQBKVRENAL-OALUTQOASA-N -1 0 341.407 3.679 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(N(C)Cc2ccccc2)cc1 ZINC000844250903 955667159 /nfs/dbraw/zinc/66/71/59/955667159.db2.gz QNRLRSNTYKNRLO-SFHVURJKSA-N -1 0 340.423 3.618 20 0 EHADRM COC(=O)c1cc(NC(=O)c2ccc(C(=O)[O-])cc2)cc2ccccc21 ZINC001593880887 955708631 /nfs/dbraw/zinc/70/86/31/955708631.db2.gz DNSKMDRRJRSHPB-UHFFFAOYSA-N -1 0 349.342 3.577 20 0 EHADRM CC(C)COc1ccccc1C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848454633 955745908 /nfs/dbraw/zinc/74/59/08/955745908.db2.gz RANYXPFDCICFKQ-VNQPRFMTSA-N -1 0 347.455 3.587 20 0 EHADRM C[C@H](NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)c1cccs1 ZINC000387651734 972131226 /nfs/dbraw/zinc/13/12/26/972131226.db2.gz DQHWCIATPFJXGH-ZETCQYMHSA-N -1 0 326.324 3.607 20 0 EHADRM COc1ccc([C@@H](NC(=O)/C=C\c2ccc(C(=O)[O-])o2)C(C)C)cc1 ZINC000864101158 955931261 /nfs/dbraw/zinc/93/12/61/955931261.db2.gz LWDJKUKTFSMMGE-FYGXRCCRSA-N -1 0 343.379 3.513 20 0 EHADRM CC(C)(CC(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1ccc(F)cc1 ZINC000864131947 955956143 /nfs/dbraw/zinc/95/61/43/955956143.db2.gz GHIOWCHKSAXBDI-MRXNPFEDSA-N -1 0 335.419 3.739 20 0 EHADRM Cc1ccc2occ(CC(=O)N3CCCC[C@H]3CCC(=O)[O-])c2c1 ZINC000864132201 955956513 /nfs/dbraw/zinc/95/65/13/955956513.db2.gz MQMDRIJGEWPAKR-HNNXBMFYSA-N -1 0 329.396 3.530 20 0 EHADRM C[C@@H](NC(=O)Cc1ccccc1C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001589098059 955991255 /nfs/dbraw/zinc/99/12/55/955991255.db2.gz BXCRWLWGTQJNGK-SNVBAGLBSA-N -1 0 335.762 3.597 20 0 EHADRM CO[C@H](C(=O)[O-])C(=O)N[C@@H](c1ccc(C2CCCCC2)cc1)C(C)C ZINC001593916492 956024886 /nfs/dbraw/zinc/02/48/86/956024886.db2.gz HFRZTSYRXDMIRD-MSOLQXFVSA-N -1 0 347.455 3.647 20 0 EHADRM Cc1c(CSC(C)C)cccc1NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000871654775 956051161 /nfs/dbraw/zinc/05/11/61/956051161.db2.gz JVFZIXGRQWCXTN-HDJSIYSDSA-N -1 0 336.457 3.621 20 0 EHADRM C[C@H]1CCN(C(=O)NCc2ccccc2C(=O)[O-])[C@@H](c2ccco2)C1 ZINC000874410362 956184805 /nfs/dbraw/zinc/18/48/05/956184805.db2.gz RJZDLSBLNRNBDY-XJKSGUPXSA-N -1 0 342.395 3.661 20 0 EHADRM CC(C)c1cc(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])c(O)c(C(C)C)c1 ZINC001603099364 972171720 /nfs/dbraw/zinc/17/17/20/972171720.db2.gz AGNBQEDGTLUOIG-CJNGLKHVSA-N -1 0 333.428 3.622 20 0 EHADRM CC1(C)Cc2cc(NC(=O)N3CCCC[C@@H]3CCC(=O)[O-])ccc2O1 ZINC000899310412 956278317 /nfs/dbraw/zinc/27/83/17/956278317.db2.gz DMFADUKHBXXFOH-OAHLLOKOSA-N -1 0 346.427 3.651 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Nc1ccnn1C1CCCCC1 ZINC000899311663 956281055 /nfs/dbraw/zinc/28/10/55/956281055.db2.gz RKWKHLYQDRRTEQ-AWEZNQCLSA-N -1 0 348.447 3.640 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Nc1ccc(-c2ncco2)cc1 ZINC000899312150 956283187 /nfs/dbraw/zinc/28/31/87/956283187.db2.gz UGEMKGBKTAQKKK-OAHLLOKOSA-N -1 0 343.383 3.593 20 0 EHADRM CCc1ccc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1OC ZINC000899313404 956284268 /nfs/dbraw/zinc/28/42/68/956284268.db2.gz KCYNUCDYECDLNV-HNNXBMFYSA-N -1 0 334.416 3.509 20 0 EHADRM Cc1ccccc1CNc1ccccc1NC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC000901618193 956379340 /nfs/dbraw/zinc/37/93/40/956379340.db2.gz UBECOBZPAYHMSY-HZPDHXFCSA-N -1 0 338.407 3.656 20 0 EHADRM CCN(C(=O)c1coc(/C=C/C(=O)[O-])c1)[C@H](C)Cc1ccsc1 ZINC000901631326 956395008 /nfs/dbraw/zinc/39/50/08/956395008.db2.gz WURLBPUZKBMUSJ-ZYOFXKKJSA-N -1 0 333.409 3.532 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)CCCc2ccc(C3CC3)cc2)CC1 ZINC000901703768 956427893 /nfs/dbraw/zinc/42/78/93/956427893.db2.gz DTFMSIHDPDSDDJ-UHFFFAOYSA-N -1 0 329.440 3.600 20 0 EHADRM CC(C)c1ccc(OCCC(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1 ZINC001603107176 972183815 /nfs/dbraw/zinc/18/38/15/972183815.db2.gz WQJNETVINHWIJT-UHFFFAOYSA-N -1 0 343.379 3.621 20 0 EHADRM CC(C)c1cccc(O[C@H](C)C(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1 ZINC001589167782 956436248 /nfs/dbraw/zinc/43/62/48/956436248.db2.gz ZBEOHMZGAWEBIX-GFCCVEGCSA-N -1 0 343.379 3.620 20 0 EHADRM COC[C@@H](NC(=O)Nc1ccccc1C(=O)[O-])c1cccc(Cl)c1 ZINC001593956765 956436800 /nfs/dbraw/zinc/43/68/00/956436800.db2.gz BSOMCCUCXZJLND-OAHLLOKOSA-N -1 0 348.786 3.547 20 0 EHADRM O=C(/C=C/c1ccc(C(=O)[O-])o1)Nc1cccc(N2CCCCC2)c1 ZINC000901918357 956539660 /nfs/dbraw/zinc/53/96/60/956539660.db2.gz ACBZSUDULXNVMW-CSKARUKUSA-N -1 0 340.379 3.620 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2cc3ccccc3cc2F)CC1 ZINC000902058740 956634439 /nfs/dbraw/zinc/63/44/39/956634439.db2.gz PHSSMZYVXWURMP-UHFFFAOYSA-N -1 0 329.371 3.696 20 0 EHADRM O=C(/C=C\c1ccc(C(=O)[O-])o1)Nc1ncccc1-c1ccccc1 ZINC001594673790 956639936 /nfs/dbraw/zinc/63/99/36/956639936.db2.gz KJQXGBKMAMAVJM-LUAWRHEFSA-N -1 0 334.331 3.692 20 0 EHADRM O=C([O-])c1ccc(NC(=O)/C=C/c2ccsc2C(F)(F)F)nc1 ZINC001594674209 956643613 /nfs/dbraw/zinc/64/36/13/956643613.db2.gz DIBYBCUUAIAKAT-DUXPYHPUSA-N -1 0 342.298 3.512 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)O[C@@H](C2CCCC2)C(F)(F)F)o1 ZINC001594674371 956646266 /nfs/dbraw/zinc/64/62/66/956646266.db2.gz PUHNZHNNZGWKLE-WOLRVDTOSA-N -1 0 332.274 3.655 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)/C=C/c1ccsc1C(F)(F)F ZINC001594675522 956656915 /nfs/dbraw/zinc/65/69/15/956656915.db2.gz XOXIJQOXTQBYMC-ONEGZZNKSA-N -1 0 342.298 3.512 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NCc1ccc(-c2ccccc2)o1 ZINC001589206308 956668115 /nfs/dbraw/zinc/66/81/15/956668115.db2.gz ZCBVZKFNLSKRPU-UHFFFAOYSA-N -1 0 341.407 3.700 20 0 EHADRM O=C(CCCc1ccc2c(c1)-c1ccccc1C2)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001594685067 956707743 /nfs/dbraw/zinc/70/77/43/956707743.db2.gz IYLLKXZFJMOJSN-HDICACEKSA-N -1 0 349.430 3.560 20 0 EHADRM CC1(C)CCCc2sc(NC(=O)[C@@]3(C(=O)[O-])CC=CCC3)nc21 ZINC001589226220 956798130 /nfs/dbraw/zinc/79/81/30/956798130.db2.gz FKSROYLVAFFMTC-QGZVFWFLSA-N -1 0 334.441 3.507 20 0 EHADRM O=C([O-])CC[C@H]1Cc2ccccc2N(C(=O)c2cccc(F)c2F)C1 ZINC000902825752 956817045 /nfs/dbraw/zinc/81/70/45/956817045.db2.gz BFEPBHVGJPUCDC-LBPRGKRZSA-N -1 0 345.345 3.649 20 0 EHADRM COCCOc1c(Cl)cccc1NCc1ccc(C(=O)[O-])s1 ZINC000903674058 956853495 /nfs/dbraw/zinc/85/34/95/956853495.db2.gz UPTOYNZABFILHE-UHFFFAOYSA-N -1 0 341.816 3.737 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)Oc1cnc2ccc(Cl)cc2c1 ZINC001594711384 956884512 /nfs/dbraw/zinc/88/45/12/956884512.db2.gz TWZGEMNSGMLQHN-UHFFFAOYSA-N -1 0 341.750 3.735 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OCCOc1ccccc1Cl ZINC000011799812 956891619 /nfs/dbraw/zinc/89/16/19/956891619.db2.gz XDRBWUOAGXYKJF-VQHVLOKHSA-N -1 0 348.782 3.904 20 0 EHADRM O=C([O-])c1cccc(OCCOc2ccccc2Br)c1 ZINC000011863575 956896266 /nfs/dbraw/zinc/89/62/66/956896266.db2.gz LMLMJMJEVIPUID-UHFFFAOYSA-N -1 0 337.169 3.605 20 0 EHADRM CC1(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)CCCCC1 ZINC001589245164 956904439 /nfs/dbraw/zinc/90/44/39/956904439.db2.gz WHEMCFBUOUILJY-CVEARBPZSA-N -1 0 330.428 3.569 20 0 EHADRM Cc1ccc(S(=O)(=O)Oc2cccc(C(C)(C)C)c2)cc1C(=O)[O-] ZINC000013067824 956923520 /nfs/dbraw/zinc/92/35/20/956923520.db2.gz SGJGVDVCTXBNKD-UHFFFAOYSA-N -1 0 348.420 3.758 20 0 EHADRM Cc1ccc(OCC(=O)Nc2ccc(C)c(Cl)c2)c(C(=O)[O-])c1 ZINC000013085601 956937241 /nfs/dbraw/zinc/93/72/41/956937241.db2.gz RYEORARMGSJDQX-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM O=C([O-])C1(NC(=O)CSc2ccc3ccccc3c2)CCCCC1 ZINC000013168253 956950194 /nfs/dbraw/zinc/95/01/94/956950194.db2.gz MXIIWYISKWIBPE-UHFFFAOYSA-N -1 0 343.448 3.836 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccc(F)cc1 ZINC000013177106 956958000 /nfs/dbraw/zinc/95/80/00/956958000.db2.gz GRAOGGHQTGLTLN-GOSISDBHSA-N -1 0 341.382 3.650 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)COc1cccc(Cl)c1Cl ZINC000013318249 957024020 /nfs/dbraw/zinc/02/40/20/957024020.db2.gz SHJGDTLIKRIIQF-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM C[C@@H](CC(=O)N1CCCC[C@H]1CC(=O)[O-])c1c[nH]c2ccccc21 ZINC000909497340 957025022 /nfs/dbraw/zinc/02/50/22/957025022.db2.gz LJNXPXKORFJFBO-KBPBESRZSA-N -1 0 328.412 3.517 20 0 EHADRM CC(C)COc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000013388687 957041249 /nfs/dbraw/zinc/04/12/49/957041249.db2.gz DGUXJBHNKUHBCT-HNNXBMFYSA-N -1 0 347.436 3.729 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000013388785 957041294 /nfs/dbraw/zinc/04/12/94/957041294.db2.gz ZINBEUNCWLVLSA-AWEZNQCLSA-N -1 0 331.437 3.991 20 0 EHADRM Cc1ccc(C)c(SCC(=O)N[C@H](CC(=O)[O-])c2cccs2)c1 ZINC000013389741 957042767 /nfs/dbraw/zinc/04/27/67/957042767.db2.gz UTXRYZAUGAUMOE-CYBMUJFWSA-N -1 0 349.477 3.789 20 0 EHADRM C[C@H]1CCc2sc(C(=O)NCCc3ccc(C(=O)[O-])cc3)cc2C1 ZINC000013442203 957083485 /nfs/dbraw/zinc/08/34/85/957083485.db2.gz YECIMBLEYAJZOJ-LBPRGKRZSA-N -1 0 343.448 3.544 20 0 EHADRM Cc1ccc(CCC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)cc1 ZINC000020334743 957137457 /nfs/dbraw/zinc/13/74/57/957137457.db2.gz HQFLYGDVEAGTKN-UHFFFAOYSA-N -1 0 329.421 3.815 20 0 EHADRM COc1cccc(NC2CCC(C(=O)[O-])CC2)c1Br ZINC001261369636 957253213 /nfs/dbraw/zinc/25/32/13/957253213.db2.gz HZLWCWGPVUGISV-UHFFFAOYSA-N -1 0 328.206 3.513 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)/C=C/c1cc(Cl)cc(Cl)c1 ZINC000037589920 957312115 /nfs/dbraw/zinc/31/21/15/957312115.db2.gz NSYCPMSLBDVEGP-ORAHPGNNSA-N -1 0 330.211 3.718 20 0 EHADRM CC(C)c1ccc(O[C@@H](C)CNC(=O)[C@@H](C(=O)[O-])C2CCCC2)cc1 ZINC001603166474 972263304 /nfs/dbraw/zinc/26/33/04/972263304.db2.gz JOPGFXQMRIIAHB-KSSFIOAISA-N -1 0 347.455 3.585 20 0 EHADRM O=C([O-])C1(NC(=O)C(c2ccccc2)c2ccccc2)CCCCC1 ZINC000060796868 957571370 /nfs/dbraw/zinc/57/13/70/957571370.db2.gz OUXUXXGWYKZMKL-UHFFFAOYSA-N -1 0 337.419 3.722 20 0 EHADRM Cc1cc(Br)c2ccccc2c1NC(=O)[C@H](C)C(=O)[O-] ZINC001594271204 957676284 /nfs/dbraw/zinc/67/62/84/957676284.db2.gz DIKYKAAKRMOHND-VIFPVBQESA-N -1 0 336.185 3.570 20 0 EHADRM Cc1cc(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c(C)n1CC1CC1 ZINC001594277882 957725423 /nfs/dbraw/zinc/72/54/23/957725423.db2.gz NDOWIZNOJBIDEV-MRXNPFEDSA-N -1 0 334.460 3.524 20 0 EHADRM Cc1cc(C(=O)Nc2sc3c(c2C(=O)[O-])C[C@@H](C)O[C@H]3C)co1 ZINC001594281386 957747855 /nfs/dbraw/zinc/74/78/55/957747855.db2.gz LAJYBWLXICBGRP-BDAKNGLRSA-N -1 0 335.381 3.622 20 0 EHADRM C[C@@H](NC(=O)c1coc(/C=C/C(=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC001332419746 957758531 /nfs/dbraw/zinc/75/85/31/957758531.db2.gz GERLUSNERMMZAI-BRAIEQGRSA-N -1 0 348.424 3.622 20 0 EHADRM C[C@H](NC(=O)c1coc(/C=C/C(=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC001332419749 957758865 /nfs/dbraw/zinc/75/88/65/957758865.db2.gz GERLUSNERMMZAI-PORFMDCZSA-N -1 0 348.424 3.622 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCCc3c(C)ccc(F)c32)c1 ZINC001594283940 957762748 /nfs/dbraw/zinc/76/27/48/957762748.db2.gz JDQRRDXZPKDJJT-UHFFFAOYSA-N -1 0 327.355 3.734 20 0 EHADRM Cc1ccc(CCCNC(=O)c2cc(C)cc(C(=O)[O-])c2)c(C)c1 ZINC001594286687 957785174 /nfs/dbraw/zinc/78/51/74/957785174.db2.gz PYBPXKGWGBVWMV-UHFFFAOYSA-N -1 0 325.408 3.673 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@H]2CCOc3c(Cl)cccc32)c1 ZINC001594287275 957789954 /nfs/dbraw/zinc/78/99/54/957789954.db2.gz XCJKVRCYNPAKMP-HNNXBMFYSA-N -1 0 345.782 3.600 20 0 EHADRM CSC[C@@H]1CCCN(C(=O)Nc2cc(Cl)ccc2C(=O)[O-])C1 ZINC000390539857 972292922 /nfs/dbraw/zinc/29/29/22/972292922.db2.gz MGAMEQHUULFSGI-SNVBAGLBSA-N -1 0 342.848 3.645 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)N(Cc1cccs1)C1CC1 ZINC000390573510 972294165 /nfs/dbraw/zinc/29/41/65/972294165.db2.gz CRXCQTFZBARQQZ-UHFFFAOYSA-N -1 0 330.409 3.951 20 0 EHADRM O=C([O-])CC1(NC(=O)c2ccc(Cl)c(Cl)c2)CCCCC1 ZINC000084146474 957861433 /nfs/dbraw/zinc/86/14/33/957861433.db2.gz NMOSBPLKTNTCGK-UHFFFAOYSA-N -1 0 330.211 3.901 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2c(Cl)oc3ccccc32)c1 ZINC001574809714 957870265 /nfs/dbraw/zinc/87/02/65/957870265.db2.gz SVLJGUPRYXYVGR-UHFFFAOYSA-N -1 0 329.739 3.714 20 0 EHADRM O=C([O-])c1cncc(NC(=O)c2c[nH]cc2-c2ccc(Cl)s2)c1 ZINC001574818499 957896706 /nfs/dbraw/zinc/89/67/06/957896706.db2.gz NNXOIGHMYDNESL-UHFFFAOYSA-N -1 0 347.783 3.742 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)N2CC3(CC=CC3)[C@@H]2c2ccccc2)c1 ZINC001574821037 957911564 /nfs/dbraw/zinc/91/15/64/957911564.db2.gz YQTKAEAZPHNDFL-KRWDZBQOSA-N -1 0 349.390 3.705 20 0 EHADRM C[C@H](CSCc1ccccc1)C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC001603199551 972303089 /nfs/dbraw/zinc/30/30/89/972303089.db2.gz MVHLAHSWKIVZIZ-GFCCVEGCSA-N -1 0 345.420 3.598 20 0 EHADRM O=C([O-])[C@@]1(C(F)(F)F)CCN(Cc2cc(Cl)cc(Cl)c2)C1 ZINC000086764000 957986773 /nfs/dbraw/zinc/98/67/73/957986773.db2.gz AILDNBZRWGRCTF-GFCCVEGCSA-N -1 0 342.144 3.832 20 0 EHADRM C[C@H](NC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)C1CCC(F)CC1 ZINC001341432858 957993217 /nfs/dbraw/zinc/99/32/17/957993217.db2.gz MJNIFDFZBSVETG-KHJHHSLUSA-N -1 0 348.418 3.516 20 0 EHADRM Cc1cc(NC(=O)NCCc2cccc3[nH]ccc32)ccc1C(=O)[O-] ZINC001594318571 958100431 /nfs/dbraw/zinc/10/04/31/958100431.db2.gz GGYIZOLRFWLLJK-UHFFFAOYSA-N -1 0 337.379 3.539 20 0 EHADRM Cc1cc(NC(=O)N2CCc3cc(F)cc(F)c3C2)ccc1C(=O)[O-] ZINC001594319007 958105311 /nfs/dbraw/zinc/10/53/11/958105311.db2.gz CPWCPGARDHZYNE-UHFFFAOYSA-N -1 0 346.333 3.562 20 0 EHADRM COc1cc(NC(=O)C2(C(=O)[O-])CCCCCC2)cc2cccnc21 ZINC001594062757 958107807 /nfs/dbraw/zinc/10/78/07/958107807.db2.gz BWJPXEVDFMKWOS-UHFFFAOYSA-N -1 0 342.395 3.607 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)C2CCC(C(F)(F)F)CC2)cc1 ZINC000391251574 972325977 /nfs/dbraw/zinc/32/59/77/972325977.db2.gz ZICIQIXSCJSOMP-UHFFFAOYSA-N -1 0 329.318 3.621 20 0 EHADRM Cc1ccc(-c2ccccc2NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)s1 ZINC001594334553 958256258 /nfs/dbraw/zinc/25/62/58/958256258.db2.gz ZWVFAMFBJJVFES-HAQNSBGRSA-N -1 0 330.409 3.708 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])s2)sc1Br ZINC000094533398 958291403 /nfs/dbraw/zinc/29/14/03/958291403.db2.gz DCRRPEAQSOAYCN-UHFFFAOYSA-N -1 0 346.227 3.831 20 0 EHADRM Cc1ccc([C@@H](NCCOc2ccccc2C(=O)[O-])C(F)(F)F)o1 ZINC001594350856 958352367 /nfs/dbraw/zinc/35/23/67/958352367.db2.gz AOHYUJJOQGTYJV-CQSZACIVSA-N -1 0 343.301 3.558 20 0 EHADRM Cc1ccc([C@H](O)c2ccccn2)cc1NC1CCC(C(=O)[O-])CC1 ZINC001594350923 958353692 /nfs/dbraw/zinc/35/36/92/958353692.db2.gz CWQKJBJZIKGEMP-KJXMEXGPSA-N -1 0 340.423 3.527 20 0 EHADRM Cc1ccc(Br)cc1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000108655828 958376919 /nfs/dbraw/zinc/37/69/19/958376919.db2.gz FXJKACPYISFRHN-QWRGUYRKSA-N -1 0 340.217 3.587 20 0 EHADRM Cc1ccc(C2(CNC(=O)[C@H](C(=O)[O-])C(C)(C)C)CCC2)cc1C ZINC001594353526 958384954 /nfs/dbraw/zinc/38/49/54/958384954.db2.gz QTEIXQLNADQHSP-MRXNPFEDSA-N -1 0 331.456 3.588 20 0 EHADRM COc1ccc(N(C(=O)/C=C/c2ccc(C(=O)[O-])o2)C(C)C)cc1F ZINC001594099535 958425836 /nfs/dbraw/zinc/42/58/36/958425836.db2.gz ONMBFQLKNQFJGP-RMKNXTFCSA-N -1 0 347.342 3.580 20 0 EHADRM Cc1ccc(CN(C(=O)NC[C@H](CC(C)C)C(=O)[O-])C2CC2)cc1C ZINC001594358773 958428687 /nfs/dbraw/zinc/42/86/87/958428687.db2.gz HYXNJEAAVJHJBD-KRWDZBQOSA-N -1 0 346.471 3.724 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(-c2cccc(Br)c2)n1 ZINC000123896267 958512511 /nfs/dbraw/zinc/51/25/11/958512511.db2.gz FEWHBKNLSAYNIU-UHFFFAOYSA-N -1 0 326.215 3.935 20 0 EHADRM COc1ccc([C@H](C)OC(=O)Cc2ccccc2C(=O)[O-])cc1C ZINC001594112518 958527871 /nfs/dbraw/zinc/52/78/71/958527871.db2.gz YOQBBXIMRUZLGL-ZDUSSCGKSA-N -1 0 328.364 3.549 20 0 EHADRM Cc1ccc(NC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)cc1-c1ncco1 ZINC001594369535 958535184 /nfs/dbraw/zinc/53/51/84/958535184.db2.gz ZGIHRXAGPGKKGN-UHFFFAOYSA-N -1 0 342.395 3.726 20 0 EHADRM C[C@@H](NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(F)c2ccccc21 ZINC001603232529 972356101 /nfs/dbraw/zinc/35/61/01/972356101.db2.gz LOTMAWHSDVWBPJ-UPJWGTAASA-N -1 0 344.386 3.592 20 0 EHADRM COc1ccc2c(c1)[C@@H](NC(=O)c1cc(C)cc(C(=O)[O-])c1)CCC2 ZINC001594117459 958561599 /nfs/dbraw/zinc/56/15/99/958561599.db2.gz GBHVTLUIWLQPMV-SFHVURJKSA-N -1 0 339.391 3.509 20 0 EHADRM COc1ccc2cc([C@H](C)c3nc([C@H](C)C(=O)[O-])no3)ccc2c1 ZINC001594118594 958583357 /nfs/dbraw/zinc/58/33/57/958583357.db2.gz QVLBJXFSIYQIGQ-QWRGUYRKSA-N -1 0 326.352 3.571 20 0 EHADRM C/C(=C\C(=O)N[C@@H](CC(C)C)C(=O)[O-])c1ccccc1C(F)(F)F ZINC001588480393 958587325 /nfs/dbraw/zinc/58/73/25/958587325.db2.gz JKKQGWJCWXSWBF-MARXPDLDSA-N -1 0 343.345 3.724 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001588481489 958594888 /nfs/dbraw/zinc/59/48/88/958594888.db2.gz NFXIZEQLSFPDBI-BRPHKXCKSA-N -1 0 349.430 3.725 20 0 EHADRM COc1cccc(C(=O)OCc2ccc(C(=O)[O-])cc2)c1OC(C)C ZINC001594121782 958602720 /nfs/dbraw/zinc/60/27/20/958602720.db2.gz JNIVOKRISAMYPR-UHFFFAOYSA-N -1 0 344.363 3.538 20 0 EHADRM CCC1CCC(NC(=O)c2ccc(OC(C)C)cc2)(C(=O)[O-])CC1 ZINC000391754633 972366473 /nfs/dbraw/zinc/36/64/73/972366473.db2.gz SCBDGMXLGLAEIP-UHFFFAOYSA-N -1 0 333.428 3.627 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC001573390960 958697804 /nfs/dbraw/zinc/69/78/04/958697804.db2.gz PQPDNHBQOJSGAH-KRWDZBQOSA-N -1 0 340.423 3.531 20 0 EHADRM Cc1cccc([C@H](NC(=O)[C@H](C)c2cccc(Cl)c2)C(=O)[O-])c1 ZINC001594390203 958704083 /nfs/dbraw/zinc/70/40/83/958704083.db2.gz FVNVOVCZSZLAHU-WBMJQRKESA-N -1 0 331.799 3.694 20 0 EHADRM CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001573391733 958705570 /nfs/dbraw/zinc/70/55/70/958705570.db2.gz XEFFGOZWYSMHME-WBVHZDCISA-N -1 0 347.455 3.732 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)c1cccs1 ZINC000129657085 958713530 /nfs/dbraw/zinc/71/35/30/958713530.db2.gz OYVAETMYSMHUTL-NSHDSACASA-N -1 0 330.192 3.611 20 0 EHADRM COc1cccc2nc(NC(=O)C3(C(=O)[O-])CCCCCC3)sc21 ZINC001594137608 958717413 /nfs/dbraw/zinc/71/74/13/958717413.db2.gz RAEIAAAAVJNYLG-UHFFFAOYSA-N -1 0 348.424 3.669 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CCCOc1ccc(F)cc1 ZINC000391782649 972372472 /nfs/dbraw/zinc/37/24/72/972372472.db2.gz BBRXWGANBAWCLN-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM COc1ccccc1[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccccn1 ZINC001594143652 958740827 /nfs/dbraw/zinc/74/08/27/958740827.db2.gz LEJNUPGAXXLPHN-FQEVSTJZSA-N -1 0 348.402 3.668 20 0 EHADRM Cc1cccc(NC(=O)NCCCCCC(=O)[O-])c1Br ZINC000131846737 958755957 /nfs/dbraw/zinc/75/59/57/958755957.db2.gz QDEDUPOYXXROSC-UHFFFAOYSA-N -1 0 343.221 3.524 20 0 EHADRM Cc1cccc([C@H](NC(=O)C[C@@H](C)c2ccc(F)cc2)C(=O)[O-])c1 ZINC001594394979 958762014 /nfs/dbraw/zinc/76/20/14/958762014.db2.gz YMPQBWPKIQALBE-ACJLOTCBSA-N -1 0 329.371 3.570 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2cccc(OCC(=O)[O-])c2)C(C)C)c1 ZINC001594398924 958815584 /nfs/dbraw/zinc/81/55/84/958815584.db2.gz HBGKKNXPPIUGGS-IBGZPJMESA-N -1 0 341.407 3.586 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)c2cc3cc(F)ccc3o2)c2ccccc21 ZINC001605743695 972389304 /nfs/dbraw/zinc/38/93/04/972389304.db2.gz NRFZAIGAZNCRHL-GJZGRUSLSA-N -1 0 339.322 3.615 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)c(Cl)c1 ZINC000391884080 972386386 /nfs/dbraw/zinc/38/63/86/972386386.db2.gz WZFCPFZEQDXSOL-CYBMUJFWSA-N -1 0 329.783 3.867 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)C2(C(=O)[O-])CCSCC2)cc1F ZINC001573462860 958922621 /nfs/dbraw/zinc/92/26/21/958922621.db2.gz QSRFPILVPZBZCM-UHFFFAOYSA-N -1 0 339.432 3.660 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)/C=C/c1cccs1)C(=O)[O-] ZINC000137708511 958937854 /nfs/dbraw/zinc/93/78/54/958937854.db2.gz YSKAHHURRAUICD-HBWSCVEGSA-N -1 0 329.421 3.511 20 0 EHADRM Cc1cccc(CC(=O)Nc2cccc(C(=O)[O-])c2)c1Br ZINC001594409768 958938735 /nfs/dbraw/zinc/93/87/35/958938735.db2.gz UVAVFPLBVNOYFT-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM CC(C)(C)c1cc(C(=O)NC(C)(C)C(=O)[O-])cc(C(C)(C)C)c1O ZINC001573483016 958974523 /nfs/dbraw/zinc/97/45/23/958974523.db2.gz NIGHTPDYSBJVCD-UHFFFAOYSA-N -1 0 335.444 3.580 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)NCc1ccccc1C(=O)[O-])C1CC1 ZINC001594415333 958990167 /nfs/dbraw/zinc/99/01/67/958990167.db2.gz HLMMJIWXZMQJGI-GOSISDBHSA-N -1 0 338.407 3.644 20 0 EHADRM Cc1ccccc1[C@H]1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1 ZINC001594416831 959010548 /nfs/dbraw/zinc/01/05/48/959010548.db2.gz LWCFMEAVMVGUJK-IRXDYDNUSA-N -1 0 346.471 3.631 20 0 EHADRM C[C@H](C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1)c1cccc(Cl)c1 ZINC001588552017 959033275 /nfs/dbraw/zinc/03/32/75/959033275.db2.gz OYBMUCLCDGBFSC-BONVTDFDSA-N -1 0 335.762 3.525 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)c2c(F)cccc2Cl)c2ccccc21 ZINC001605745047 972396483 /nfs/dbraw/zinc/39/64/83/972396483.db2.gz YKRQMEZKJLPNAU-SMDDNHRTSA-N -1 0 333.746 3.522 20 0 EHADRM CC(C)[C@@H](NC(=O)NCc1ccccc1C(=O)[O-])c1ccccc1F ZINC001573499763 959053823 /nfs/dbraw/zinc/05/38/23/959053823.db2.gz MWOAYBUWOBDXDE-QGZVFWFLSA-N -1 0 344.386 3.720 20 0 EHADRM CC(C)C[C@H](CNC(=O)N(C)Cc1ccc(C(C)C)cc1)C(=O)[O-] ZINC001573509968 959089894 /nfs/dbraw/zinc/08/98/94/959089894.db2.gz YMRBMGITVQUEIY-QGZVFWFLSA-N -1 0 334.460 3.698 20 0 EHADRM CSCCCC(=O)Nc1sc2c(c1C(=O)[O-])C[C@H](C)O[C@H]2C ZINC001594184470 959106643 /nfs/dbraw/zinc/10/66/43/959106643.db2.gz MSSYIOBIOLBBBW-IUCAKERBSA-N -1 0 343.470 3.550 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC001588564124 959120451 /nfs/dbraw/zinc/12/04/51/959120451.db2.gz CKVAQVCGQUPRJB-SNVBAGLBSA-N -1 0 342.222 3.720 20 0 EHADRM CC(C)C[C@H](CNC(=O)C1CC(c2ccc(F)cc2)C1)CC(=O)[O-] ZINC001573532080 959164306 /nfs/dbraw/zinc/16/43/06/959164306.db2.gz QUSQHCUGOLTSIG-JEYLPNPQSA-N -1 0 335.419 3.573 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)N[C@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC001588569140 959172626 /nfs/dbraw/zinc/17/26/26/959172626.db2.gz CNXDRZFKPMZEGD-SJCJKPOMSA-N -1 0 343.448 3.553 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])c1 ZINC001573543719 959197604 /nfs/dbraw/zinc/19/76/04/959197604.db2.gz KSCXSSSCRVLVOG-VKJFTORMSA-N -1 0 331.456 3.700 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC001588583463 959276211 /nfs/dbraw/zinc/27/62/11/959276211.db2.gz BLQXVNLBISXNCU-HZGVNTEJSA-N -1 0 344.207 3.573 20 0 EHADRM O=C([O-])C1(CNC(=O)c2ccc(Cl)c(Cl)c2)CCCCC1 ZINC000165611131 959285892 /nfs/dbraw/zinc/28/58/92/959285892.db2.gz FSZBPRYQADXOGI-UHFFFAOYSA-N -1 0 330.211 3.758 20 0 EHADRM C[C@@H](OC(=O)[C@@H](C(=O)[O-])C1CCCC1)c1ccc(C(F)(F)F)nc1 ZINC001594211002 959287421 /nfs/dbraw/zinc/28/74/21/959287421.db2.gz BFHOADKODYDYAX-NOZJJQNGSA-N -1 0 345.317 3.596 20 0 EHADRM C[C@H](CC(=O)N(CC(=O)[O-])CC(C)(C)C)c1c[nH]c2ccccc21 ZINC001573575003 959319425 /nfs/dbraw/zinc/31/94/25/959319425.db2.gz BOAGVHPTXFVKQG-CYBMUJFWSA-N -1 0 330.428 3.621 20 0 EHADRM CC(C)n1ncc2ccc(NC(=O)/C=C\c3ccc(C(=O)[O-])o3)cc21 ZINC001573576948 959334503 /nfs/dbraw/zinc/33/45/03/959334503.db2.gz RABXNKDZSQVPOM-VURMDHGXSA-N -1 0 339.351 3.560 20 0 EHADRM CC(C)(C)c1ccc(-c2ccc(C(=O)N3CC[C@@H](C(=O)[O-])C3)o2)cc1 ZINC000178257159 959429961 /nfs/dbraw/zinc/42/99/61/959429961.db2.gz SZKLJJVNWVBEJO-CQSZACIVSA-N -1 0 341.407 3.791 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2cccn2Cc2cccs2)c1 ZINC000181871908 959440985 /nfs/dbraw/zinc/44/09/85/959440985.db2.gz MJMAWRLCNQAAAA-UHFFFAOYSA-N -1 0 344.367 3.688 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC001573607419 959454479 /nfs/dbraw/zinc/45/44/79/959454479.db2.gz ALKWAVZENSHRJX-ZDUSSCGKSA-N -1 0 341.382 3.682 20 0 EHADRM CCCN(CC(=O)[O-])CC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000184905377 959470286 /nfs/dbraw/zinc/47/02/86/959470286.db2.gz SLOCCTXXYDEDAP-UHFFFAOYSA-N -1 0 334.460 3.669 20 0 EHADRM Cc1nc2cc(NC(=O)N[C@H](C(=O)[O-])c3ccccc3)ccc2s1 ZINC001594462861 959472777 /nfs/dbraw/zinc/47/27/77/959472777.db2.gz HLHSELWRCCGQAI-HNNXBMFYSA-N -1 0 341.392 3.552 20 0 EHADRM C[C@@H](CC(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccc(F)cc1F ZINC000190915286 959528364 /nfs/dbraw/zinc/52/83/64/959528364.db2.gz MWXCMHNWEDPWLO-NSHDSACASA-N -1 0 349.333 3.561 20 0 EHADRM Cc1c(C(=O)NC[C@H](CC(C)C)C(=O)[O-])cccc1-c1ccccn1 ZINC000191030598 959536827 /nfs/dbraw/zinc/53/68/27/959536827.db2.gz AJRTYPQCRPCOPV-HNNXBMFYSA-N -1 0 340.423 3.534 20 0 EHADRM CC[C@H](C(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000191020716 959536840 /nfs/dbraw/zinc/53/68/40/959536840.db2.gz FEPBIGCIQQREAO-KRWDZBQOSA-N -1 0 329.371 3.975 20 0 EHADRM C[C@H](CN(C(=O)CCCc1ccc2ccccc2c1)C1CC1)C(=O)[O-] ZINC000191165900 959544450 /nfs/dbraw/zinc/54/44/50/959544450.db2.gz INNUSNPXQWMKSQ-OAHLLOKOSA-N -1 0 339.435 3.874 20 0 EHADRM CN(C(=O)c1cccc(C(F)(F)F)c1)C1(C(=O)[O-])CCCCC1 ZINC000191285919 959548982 /nfs/dbraw/zinc/54/89/82/959548982.db2.gz ONTCBXAGRFKJOF-UHFFFAOYSA-N -1 0 329.318 3.565 20 0 EHADRM Cc1cccc(C)c1OCC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000191393274 959556363 /nfs/dbraw/zinc/55/63/63/959556363.db2.gz LZQOVQQONVFRSM-HNNXBMFYSA-N -1 0 341.407 3.584 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)CSc2ccccc2)cc1)C(=O)[O-] ZINC000191386746 959556979 /nfs/dbraw/zinc/55/69/79/959556979.db2.gz OCLYDTHYDQSNOC-ZDUSSCGKSA-N -1 0 329.421 3.681 20 0 EHADRM CCOc1cc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)ccc1C ZINC000191389061 959557050 /nfs/dbraw/zinc/55/70/50/959557050.db2.gz WCLIZUUSJCOHHY-CQSZACIVSA-N -1 0 341.407 3.909 20 0 EHADRM C[C@H]1CC[C@@](C)(CNC(=O)N2CCC(CCC(=O)[O-])CC2)C1(C)C ZINC001594245459 959561352 /nfs/dbraw/zinc/56/13/52/959561352.db2.gz PYEKPEHCBYQIIM-LIRRHRJNSA-N -1 0 338.492 3.735 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)[C@H](C)Cc2ccccc2F)cc1)C(=O)[O-] ZINC000191409720 959562197 /nfs/dbraw/zinc/56/21/97/959562197.db2.gz LRZHAKVZCGJADC-ZIAGYGMSSA-N -1 0 343.398 3.906 20 0 EHADRM Cc1ncccc1/C=C\C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001594471418 959563331 /nfs/dbraw/zinc/56/33/31/959563331.db2.gz ZEQRIKJTVSJUOC-DAXSKMNVSA-N -1 0 334.734 3.533 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2cc(-c3ccccc3)[nH]n2)cc1)C(=O)[O-] ZINC000191429918 959566269 /nfs/dbraw/zinc/56/62/69/959566269.db2.gz JINGIYUDCMNDOQ-CYBMUJFWSA-N -1 0 349.390 3.592 20 0 EHADRM CCOc1c(F)cccc1C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000191446138 959569714 /nfs/dbraw/zinc/56/97/14/959569714.db2.gz ZBLGOCHOVGFUGY-GFCCVEGCSA-N -1 0 345.370 3.740 20 0 EHADRM C[C@H](CC(=O)NCC1(C(=O)[O-])CCCCC1)c1ccc(F)cc1F ZINC000191502695 959573791 /nfs/dbraw/zinc/57/37/91/959573791.db2.gz CLUVLGBZRRETEG-GFCCVEGCSA-N -1 0 339.382 3.610 20 0 EHADRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)c1coc2ccccc12 ZINC000191525734 959577578 /nfs/dbraw/zinc/57/75/78/959577578.db2.gz GWUKZCLBRLUJAE-HNNXBMFYSA-N -1 0 337.375 3.639 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2Nc2ccccc2)nc1 ZINC000191557667 959583429 /nfs/dbraw/zinc/58/34/29/959583429.db2.gz VLIVKEVRRMMBPC-UHFFFAOYSA-N -1 0 333.347 3.776 20 0 EHADRM CC(C)CC(C)(C)C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000192887411 959594235 /nfs/dbraw/zinc/59/42/35/959594235.db2.gz GDGYJALVAIJFCQ-UHFFFAOYSA-N -1 0 335.444 3.619 20 0 EHADRM CC[C@@H](CC1CCCCC1)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000192999716 959604485 /nfs/dbraw/zinc/60/44/85/959604485.db2.gz UJWVBSWTRQTMSH-AWEZNQCLSA-N -1 0 335.448 3.638 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC001588631469 959617865 /nfs/dbraw/zinc/61/78/65/959617865.db2.gz LGCPLZMUVLKTDY-XJKSGUPXSA-N -1 0 335.419 3.669 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC001588633228 959628413 /nfs/dbraw/zinc/62/84/13/959628413.db2.gz FKPBJPJGRCNCGW-OAHLLOKOSA-N -1 0 346.358 3.698 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C2(c3ccccc3)CCCCCC2)C1 ZINC001573653012 959653281 /nfs/dbraw/zinc/65/32/81/959653281.db2.gz OQIMUQLJXSUGCM-LJQANCHMSA-N -1 0 329.440 3.602 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001594260339 959692362 /nfs/dbraw/zinc/69/23/62/959692362.db2.gz LSKFHRGDDWHVRV-UHFFFAOYSA-N -1 0 330.340 3.694 20 0 EHADRM Cc1c(Cl)cccc1NC(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001594262102 959702358 /nfs/dbraw/zinc/70/23/58/959702358.db2.gz GHZKXEVROKYLQU-CQSZACIVSA-N -1 0 336.750 3.735 20 0 EHADRM Cc1c(F)cccc1NC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001594263511 959726614 /nfs/dbraw/zinc/72/66/14/959726614.db2.gz ZBOFNLMSAYXKRJ-BBRMVZONSA-N -1 0 328.343 3.569 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21)C(=O)[O-] ZINC001588645368 959729418 /nfs/dbraw/zinc/72/94/18/959729418.db2.gz MOYIAVMIOUPFHL-SYAUCNOPSA-N -1 0 349.858 3.621 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001588649691 959753686 /nfs/dbraw/zinc/75/36/86/959753686.db2.gz XCJBNLZDXYBLJN-GFCCVEGCSA-N -1 0 331.334 3.715 20 0 EHADRM Cc1cc(-c2csc(NC(=O)C3(CC(=O)[O-])CCC3)n2)c(C)o1 ZINC001594268072 959761329 /nfs/dbraw/zinc/76/13/29/959761329.db2.gz DUEZWRJXLGFUSH-UHFFFAOYSA-N -1 0 334.397 3.603 20 0 EHADRM Cc1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)c(C(=O)[O-])c1 ZINC000223855598 959843546 /nfs/dbraw/zinc/84/35/46/959843546.db2.gz ZTSXVJHRDJSPOS-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM C[C@@H](c1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1)C(F)(F)F ZINC001573711463 959853058 /nfs/dbraw/zinc/85/30/58/959853058.db2.gz NPNOUKLTQKLHDI-SUNKGSAMSA-N -1 0 343.345 3.678 20 0 EHADRM Cc1ccccc1SCC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000392635489 972504618 /nfs/dbraw/zinc/50/46/18/972504618.db2.gz JTLAYIGYTAGDQC-HNNXBMFYSA-N -1 0 341.432 3.692 20 0 EHADRM C[C@H]1CN(C(=O)[C@H](C(=O)[O-])C(C)(C)C)CCc2ccc(Cl)cc21 ZINC001573739133 960475368 /nfs/dbraw/zinc/47/53/68/960475368.db2.gz PENBVEZAROIPPJ-XHDPSFHLSA-N -1 0 337.847 3.575 20 0 EHADRM C[C@@H]1CN(C(=O)[C@]2(C(=O)[O-])CC=CCC2)CCc2ccc(Cl)cc21 ZINC001573738972 960475673 /nfs/dbraw/zinc/47/56/73/960475673.db2.gz MGYRGGIPKWDANP-YJYMSZOUSA-N -1 0 347.842 3.639 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)cn1 ZINC000392721428 972514730 /nfs/dbraw/zinc/51/47/30/972514730.db2.gz IWAWGOZBMUDYIA-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2csc(C(C)(C)C)n2)cc1 ZINC001253132274 960641592 /nfs/dbraw/zinc/64/15/92/960641592.db2.gz ZTCDVDFJSIAJIE-CYBMUJFWSA-N -1 0 346.452 3.695 20 0 EHADRM CS[C@@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CCC(C)(C)C2 ZINC001604949183 972523165 /nfs/dbraw/zinc/52/31/65/972523165.db2.gz YGRJDEZPNABBCB-QMMMGPOBSA-N -1 0 327.471 3.651 20 0 EHADRM O=C([O-])c1cccc(CNc2ccc(Cl)c(Br)c2)n1 ZINC000236487735 960676841 /nfs/dbraw/zinc/67/68/41/960676841.db2.gz YKGQJADBMXLCQK-UHFFFAOYSA-N -1 0 341.592 3.808 20 0 EHADRM CC(C)(C)c1ncc(/C=C/C(=O)Nc2cc(C(=O)[O-])ccc2F)s1 ZINC000236638478 960721516 /nfs/dbraw/zinc/72/15/16/960721516.db2.gz MTAHGGRXNDPFMH-FNORWQNLSA-N -1 0 348.399 3.930 20 0 EHADRM CC(C)CCOc1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000236780790 960756568 /nfs/dbraw/zinc/75/65/68/960756568.db2.gz SIPZBRFTEQSSBG-INIZCTEOSA-N -1 0 347.455 3.829 20 0 EHADRM CC(C)c1ccc(-c2nc(C(=O)N[C@H](C)CC(=O)[O-])cs2)cc1 ZINC000236786543 960758310 /nfs/dbraw/zinc/75/83/10/960758310.db2.gz BEFVUZQXKZUBLS-LLVKDONJSA-N -1 0 332.425 3.527 20 0 EHADRM CC(C)(CC(=O)Nc1ccc(OCCC(=O)[O-])cc1)c1ccccc1 ZINC000236798297 960760245 /nfs/dbraw/zinc/76/02/45/960760245.db2.gz LBCAQJQVFGLYGP-UHFFFAOYSA-N -1 0 341.407 3.847 20 0 EHADRM CC(C)c1ccc(-c2nc(C(=O)N3CCC[C@H]3C(=O)[O-])cs2)cc1 ZINC000236850363 960773908 /nfs/dbraw/zinc/77/39/08/960773908.db2.gz NBMKKAXROGYNRB-HNNXBMFYSA-N -1 0 344.436 3.623 20 0 EHADRM CC[C@@H](CNC(=O)NCc1ccc(C2CCCCC2)cc1)C(=O)[O-] ZINC001573797737 960782225 /nfs/dbraw/zinc/78/22/25/960782225.db2.gz BYPBGNXURGLBQJ-HNNXBMFYSA-N -1 0 332.444 3.644 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)C[C@@H](C)c1ccccc1C(F)(F)F ZINC000236898630 960793540 /nfs/dbraw/zinc/79/35/40/960793540.db2.gz AHAUNQUEBRPXSH-NEPJUHHUSA-N -1 0 345.361 3.911 20 0 EHADRM CCC(CC)(CNC(=O)c1sc(-c2ccccc2)nc1C)C(=O)[O-] ZINC000236902523 960794092 /nfs/dbraw/zinc/79/40/92/960794092.db2.gz YUSBRVRPIGXZAB-UHFFFAOYSA-N -1 0 346.452 3.739 20 0 EHADRM CC/C=C(/C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000236903480 960794273 /nfs/dbraw/zinc/79/42/73/960794273.db2.gz YGTICYPCCUTCPX-FSIMMPEJSA-N -1 0 345.317 3.574 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000236910977 960798136 /nfs/dbraw/zinc/79/81/36/960798136.db2.gz VYEVGRYERHGEPR-MORSLUCNSA-N -1 0 325.408 3.655 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2ccnn2C2CCCCC2)c1 ZINC001574319491 960816649 /nfs/dbraw/zinc/81/66/49/960816649.db2.gz PGIDZUSKVGMJCT-UHFFFAOYSA-N -1 0 327.384 3.647 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)c1ccc(CSc2ccccc2)cc1 ZINC000237025867 960840230 /nfs/dbraw/zinc/84/02/30/960840230.db2.gz NTGKMRYLYUVNNR-UHFFFAOYSA-N -1 0 343.448 3.916 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000237028359 960842078 /nfs/dbraw/zinc/84/20/78/960842078.db2.gz GTUKASABNPWDLB-KBXCAEBGSA-N -1 0 325.408 3.831 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)N1CCC[C@](CC)(C(=O)[O-])C1 ZINC001573808347 960863108 /nfs/dbraw/zinc/86/31/08/960863108.db2.gz BUPYFCXLOPARPH-UZLBHIALSA-N -1 0 331.456 3.667 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H](C)Oc1cc(C(C)C)ccc1C ZINC000237113492 960873473 /nfs/dbraw/zinc/87/34/73/960873473.db2.gz HDGVWWVQOBFTCV-IFXJQAMLSA-N -1 0 335.444 3.645 20 0 EHADRM COc1ccc(C[C@@H](C)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000237218897 960890259 /nfs/dbraw/zinc/89/02/59/960890259.db2.gz ZFIZTIKESBIHCU-CYBMUJFWSA-N -1 0 327.380 3.519 20 0 EHADRM COc1ccc([C@H](NC(=O)c2ccc(C(=O)[O-])cc2)C(C)C)cc1 ZINC000237269485 960899020 /nfs/dbraw/zinc/89/90/20/960899020.db2.gz MIAFMQQRXVDJLN-QGZVFWFLSA-N -1 0 327.380 3.521 20 0 EHADRM COc1ccc2cc([C@H](C)C(=O)N(CC(=O)[O-])CC(C)C)ccc2c1 ZINC000237320806 960910079 /nfs/dbraw/zinc/91/00/79/960910079.db2.gz QRNSYSLJLFMIFF-AWEZNQCLSA-N -1 0 343.423 3.521 20 0 EHADRM CC(C)(C)C1=N/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)C(=O)O1 ZINC001317751669 960913496 /nfs/dbraw/zinc/91/34/96/960913496.db2.gz JXMUCFLGYUNFBW-GXDHUFHOSA-N -1 0 339.347 3.987 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C(=O)c1ccc(C(=O)[O-])cn1)C1CC1 ZINC000237435318 960934979 /nfs/dbraw/zinc/93/49/79/960934979.db2.gz BMMXEVUWRLEACR-LLVKDONJSA-N -1 0 344.798 3.799 20 0 EHADRM CC(C)[C@@H](NC(=O)CC1c2ccccc2Oc2ccccc21)C(=O)[O-] ZINC001319355968 960942084 /nfs/dbraw/zinc/94/20/84/960942084.db2.gz QNJKOHAVKPTOLO-LJQANCHMSA-N -1 0 339.391 3.540 20 0 EHADRM Cc1oc(CNC(=O)c2cc3ccc(C(C)C)cc3[nH]2)cc1C(=O)[O-] ZINC001319792323 960955680 /nfs/dbraw/zinc/95/56/80/960955680.db2.gz FHMOECUUFWUSIR-UHFFFAOYSA-N -1 0 340.379 3.821 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)C(C)(C)c1ccc(Cl)c(Cl)c1 ZINC001319829726 960957143 /nfs/dbraw/zinc/95/71/43/960957143.db2.gz FFHNNGHCZLBYFP-UHFFFAOYSA-N -1 0 332.227 3.594 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NCCCc1ccccc1)C(=O)[O-] ZINC000237555013 960960024 /nfs/dbraw/zinc/96/00/24/960960024.db2.gz FNOWSIRFGRTHMK-AWEZNQCLSA-N -1 0 343.448 3.614 20 0 EHADRM Cc1ccc(-c2nc(NCC(=O)[O-])nc3sc4c(c32)CCC4)cc1 ZINC001574350659 960985188 /nfs/dbraw/zinc/98/51/88/960985188.db2.gz WLHMAEOKEPNGER-UHFFFAOYSA-N -1 0 339.420 3.652 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)cc1C(=O)[O-] ZINC000237695303 961000588 /nfs/dbraw/zinc/00/05/88/961000588.db2.gz HFFFNGAKNGQNEM-QWHCGFSZSA-N -1 0 331.318 3.714 20 0 EHADRM COc1ccc2cc(C(=O)N[C@]3(C)CCCC[C@H]3C(=O)[O-])ccc2c1 ZINC001321953498 961005452 /nfs/dbraw/zinc/00/54/52/961005452.db2.gz GDQQRDUHDKOULT-FXAWDEMLSA-N -1 0 341.407 3.612 20 0 EHADRM CCc1oc2ccccc2c1C(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-] ZINC001321954695 961007495 /nfs/dbraw/zinc/00/74/95/961007495.db2.gz ZHCRHQTWVZTNPD-DJJJIMSYSA-N -1 0 329.396 3.759 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000237756160 961015663 /nfs/dbraw/zinc/01/56/63/961015663.db2.gz OAUXUGBYAMFDIB-UHFFFAOYSA-N -1 0 339.347 3.765 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2ccc(C(=O)[O-])cc2C)cc1 ZINC001324183561 961027496 /nfs/dbraw/zinc/02/74/96/961027496.db2.gz IXMSBCCBSKRKFW-UHFFFAOYSA-N -1 0 325.364 3.603 20 0 EHADRM O=C([O-])CCCCNC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000237921725 961040725 /nfs/dbraw/zinc/04/07/25/961040725.db2.gz WSSONMDUWKAEOX-UHFFFAOYSA-N -1 0 343.448 3.964 20 0 EHADRM Cc1ccc(CNC(=O)[C@]2(C(=O)[O-])CC2(C)C)c(OCCC(C)C)c1 ZINC001574366945 961046605 /nfs/dbraw/zinc/04/66/05/961046605.db2.gz UQUILDVDQPUMFG-FQEVSTJZSA-N -1 0 347.455 3.537 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)CCCc2c[nH]c3ccccc23)C1 ZINC000237956633 961055346 /nfs/dbraw/zinc/05/53/46/961055346.db2.gz NCLCOCIRKBQYSF-HNNXBMFYSA-N -1 0 342.439 3.594 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc(Cl)ccc1F)c1ccc(F)cc1 ZINC000237977969 961061648 /nfs/dbraw/zinc/06/16/48/961061648.db2.gz XNFXBYNEMDPJQH-AWEZNQCLSA-N -1 0 339.725 3.564 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000238003137 961071490 /nfs/dbraw/zinc/07/14/90/961071490.db2.gz GTSMTGGYQRHPPK-UHFFFAOYSA-N -1 0 331.371 3.904 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)[C@@H]3Cc4ccccc4O3)ccc2s1 ZINC000238004077 961071951 /nfs/dbraw/zinc/07/19/51/961071951.db2.gz KGGRYNYAOMPUSH-AWEZNQCLSA-N -1 0 339.372 3.542 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCCc2cccc(-c3ccccc3)c2)o1 ZINC000238016598 961076819 /nfs/dbraw/zinc/07/68/19/961076819.db2.gz KGEFTNXCEGUMLW-UHFFFAOYSA-N -1 0 335.359 3.617 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2ccc(Oc3ccccc3)o2)C1 ZINC000238019876 961079652 /nfs/dbraw/zinc/07/96/52/961079652.db2.gz QDAXRKYGWIHSNS-CQSZACIVSA-N -1 0 343.379 3.789 20 0 EHADRM CC(C)(C)O[C@@H](C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1 ZINC001588732332 961093878 /nfs/dbraw/zinc/09/38/78/961093878.db2.gz NUMZCWYVXBMALQ-MAUKXSAKSA-N -1 0 347.455 3.646 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)cc1 ZINC000238092153 961094309 /nfs/dbraw/zinc/09/43/09/961094309.db2.gz VGQMOEVXDKWOSB-IRXDYDNUSA-N -1 0 343.810 3.501 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)CCCOc2ccccc2Cl)cc1 ZINC000238086433 961095558 /nfs/dbraw/zinc/09/55/58/961095558.db2.gz FNEDYWFUFCEYOU-UHFFFAOYSA-N -1 0 347.798 3.514 20 0 EHADRM CC(C)(C)OCc1ccccc1NC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001588734389 961120951 /nfs/dbraw/zinc/12/09/51/961120951.db2.gz ALTJUZYOUWRMBS-UHFFFAOYSA-N -1 0 348.443 3.720 20 0 EHADRM Cc1ccc2sc(CN[C@](C)(C(=O)[O-])c3ccccc3)nc2c1 ZINC001574384893 961129677 /nfs/dbraw/zinc/12/96/77/961129677.db2.gz STWROCCDJUJDKM-SFHVURJKSA-N -1 0 326.421 3.694 20 0 EHADRM Cc1cccc([C@@H](NC(=O)CC(C)(C)CC(F)(F)F)C(=O)[O-])c1 ZINC001574387207 961138115 /nfs/dbraw/zinc/13/81/15/961138115.db2.gz GIUNCRYVUMQLCK-CYBMUJFWSA-N -1 0 331.334 3.606 20 0 EHADRM CCCN(Cc1ccccc1F)C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001573856733 961149520 /nfs/dbraw/zinc/14/95/20/961149520.db2.gz BPAFVMDRYMGZBW-FPLPWBNLSA-N -1 0 331.343 3.569 20 0 EHADRM CC(C)(C)c1ccc(CC(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC001588739369 961150605 /nfs/dbraw/zinc/15/06/05/961150605.db2.gz CVUYILUPCZPFKO-UHFFFAOYSA-N -1 0 325.408 3.541 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000263213959 1125476698 /nfs/dbraw/zinc/47/66/98/1125476698.db2.gz ZNKCXEHNIBDWJN-YOEHRIQHSA-N -1 0 338.407 3.928 20 0 EHADRM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001574401851 961237637 /nfs/dbraw/zinc/23/76/37/961237637.db2.gz FMHBODPJASWPEJ-OAGGEKHMSA-N -1 0 329.440 3.689 20 0 EHADRM CC(C)(CCNC(=O)/C=C/c1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC001588770302 961260039 /nfs/dbraw/zinc/26/00/39/961260039.db2.gz OULPVNJWEQEVBG-ZHACJKMWSA-N -1 0 345.439 3.638 20 0 EHADRM Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)CCCC(=O)[O-] ZINC001574407639 961267685 /nfs/dbraw/zinc/26/76/85/961267685.db2.gz MOUBGWVAQHITTK-UHFFFAOYSA-N -1 0 337.379 3.503 20 0 EHADRM CC(C)(Cc1ccc(Cl)cc1)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001588786436 961346722 /nfs/dbraw/zinc/34/67/22/961346722.db2.gz UAUPXXGCWGYQQU-UHFFFAOYSA-N -1 0 332.787 3.641 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001588786840 961348629 /nfs/dbraw/zinc/34/86/29/961348629.db2.gz WQIJTGUZAQINDK-UHFFFAOYSA-N -1 0 332.787 3.641 20 0 EHADRM Cc1nc2cc(NC(=O)/C=C/c3ccc(C(=O)[O-])o3)ccc2s1 ZINC001574424394 961360834 /nfs/dbraw/zinc/36/08/34/961360834.db2.gz SGHHUZPAGMGQQT-QPJJXVBHSA-N -1 0 328.349 3.548 20 0 EHADRM CC[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1C(=O)[O-] ZINC000261537745 961378660 /nfs/dbraw/zinc/37/86/60/961378660.db2.gz UWLWKWHOZPOLHZ-OAHLLOKOSA-N -1 0 325.408 3.755 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000261769538 961392503 /nfs/dbraw/zinc/39/25/03/961392503.db2.gz QPPRPDXKFQRQFO-QGZVFWFLSA-N -1 0 335.787 3.722 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)NCCSCc1cccc2ccccc21 ZINC001588808300 961496921 /nfs/dbraw/zinc/49/69/21/961496921.db2.gz WDIJUSPNGQIEAB-QGZVFWFLSA-N -1 0 345.464 3.546 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C(=O)c1cccc(C(=O)[O-])n1)C1CC1 ZINC000262239834 961583720 /nfs/dbraw/zinc/58/37/20/961583720.db2.gz ZQYBQTAHFOHXGC-LLVKDONJSA-N -1 0 344.798 3.799 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N1CCC[C@@H]1C1CCCCC1 ZINC000262244322 961587491 /nfs/dbraw/zinc/58/74/91/961587491.db2.gz URJXDNBXQRMILU-GOSISDBHSA-N -1 0 329.440 3.889 20 0 EHADRM CC[C@@H](NC(=O)c1ccccc1NCCC1=CCCCC1)C(=O)[O-] ZINC001573936004 961591558 /nfs/dbraw/zinc/59/15/58/961591558.db2.gz BALPKNSUSSGCJY-MRXNPFEDSA-N -1 0 330.428 3.582 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)c1 ZINC000262275262 961610089 /nfs/dbraw/zinc/61/00/89/961610089.db2.gz YSHLQXQDEJKFAF-HXUWFJFHSA-N -1 0 349.430 3.996 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000262314109 961638293 /nfs/dbraw/zinc/63/82/93/961638293.db2.gz BWPOFLDXZILEQZ-HNNXBMFYSA-N -1 0 329.371 3.617 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC001333523104 961713068 /nfs/dbraw/zinc/71/30/68/961713068.db2.gz MRKSVQRGVUKRQB-DDTOSNHZSA-N -1 0 337.366 3.669 20 0 EHADRM Cc1oc(CN(C)C(=O)Cc2ccc(CC(C)C)cc2)cc1C(=O)[O-] ZINC000262477014 961743114 /nfs/dbraw/zinc/74/31/14/961743114.db2.gz KCHBYHIRUMQXBK-UHFFFAOYSA-N -1 0 343.423 3.686 20 0 EHADRM CO[C@@](C)(C(=O)Nc1cc(C(=O)[O-])c(C)cc1C)c1ccccc1 ZINC000262487727 961747391 /nfs/dbraw/zinc/74/73/91/961747391.db2.gz ISKAUGSBAPTVMX-LJQANCHMSA-N -1 0 327.380 3.502 20 0 EHADRM CN(C(=O)CCCC(=O)[O-])[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC001573979842 961760307 /nfs/dbraw/zinc/76/03/07/961760307.db2.gz JRUPPCYGHDTFBJ-CYBMUJFWSA-N -1 0 337.725 3.657 20 0 EHADRM C[C@H]1CCc2c(C(=O)Nc3ccc(CC(=O)[O-])cc3)csc2C1 ZINC000262547008 961768521 /nfs/dbraw/zinc/76/85/21/961768521.db2.gz RVXVFPYKJPMBNQ-NSHDSACASA-N -1 0 329.421 3.752 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@H](C)OCc1ccccc1 ZINC000262565601 961773734 /nfs/dbraw/zinc/77/37/34/961773734.db2.gz XTZSYGVEWNJJJB-AWEZNQCLSA-N -1 0 327.380 3.545 20 0 EHADRM C[C@@H](NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-])c1cccs1 ZINC000262660291 961798906 /nfs/dbraw/zinc/79/89/06/961798906.db2.gz UGKNKOHXOUWWRR-MNOVXSKESA-N -1 0 335.450 3.804 20 0 EHADRM COc1ccc(CCCC(=O)Nc2ccc(C(=O)[O-])cc2C)cc1 ZINC001334356979 961801815 /nfs/dbraw/zinc/80/18/15/961801815.db2.gz ATCVRLDFUPIEBR-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM Cn1c2ccccc2c(Cl)c1C(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000262704273 961815377 /nfs/dbraw/zinc/81/53/77/961815377.db2.gz BHNYJAWDBAVYMV-XIKOKIGWSA-N -1 0 348.830 3.595 20 0 EHADRM CC[C@H](C)Oc1ccc(NC(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC000262780964 961862573 /nfs/dbraw/zinc/86/25/73/961862573.db2.gz ZDNJUEKVGWANLG-ZDUSSCGKSA-N -1 0 327.380 3.743 20 0 EHADRM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000262804670 961875409 /nfs/dbraw/zinc/87/54/09/961875409.db2.gz ONAIQEYJZYGCPK-VLIAUNLRSA-N -1 0 337.419 3.757 20 0 EHADRM CN(CC(=O)[O-])[C@@H](c1ccccc1)c1ccccc1Br ZINC001573999170 961876531 /nfs/dbraw/zinc/87/65/31/961876531.db2.gz UXSUKUZSWWBXCG-INIZCTEOSA-N -1 0 334.213 3.555 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1CCC[C@@H](F)C1)c1cccc(Cl)c1 ZINC001335376029 961919060 /nfs/dbraw/zinc/91/90/60/961919060.db2.gz SSUYYROUKXKFBR-YUTCNCBUSA-N -1 0 327.783 3.500 20 0 EHADRM CN(CCCC(=O)[O-])c1ncnc2scc(-c3cccs3)c21 ZINC001574012982 961922761 /nfs/dbraw/zinc/92/27/61/961922761.db2.gz HYKGCDBSYYYBSG-UHFFFAOYSA-N -1 0 333.438 3.721 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000262886832 961961447 /nfs/dbraw/zinc/96/14/47/961961447.db2.gz GIZIYSMIVRFOPI-IIAWOOMASA-N -1 0 335.831 3.895 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)CCc1cccc(F)c1 ZINC000262889424 961964145 /nfs/dbraw/zinc/96/41/45/961964145.db2.gz HUUWLQFIXROGCP-LBPRGKRZSA-N -1 0 345.370 3.740 20 0 EHADRM COc1cc(NC(=O)[C@H](C)CCc2cccc(F)c2)ccc1C(=O)[O-] ZINC000262924023 962005696 /nfs/dbraw/zinc/00/56/96/962005696.db2.gz KTHJMNKPKRLBER-GFCCVEGCSA-N -1 0 345.370 3.740 20 0 EHADRM CC(C)c1ccc([C@@H](NC(=O)N2CC[C@@H](C(=O)[O-])C2)C(C)C)cc1 ZINC000262945325 962031370 /nfs/dbraw/zinc/03/13/70/962031370.db2.gz HRWWHOQSNAAWPM-SJORKVTESA-N -1 0 332.444 3.623 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)NCCC(C)(C)C(=O)[O-])c1 ZINC001588868143 962039959 /nfs/dbraw/zinc/03/99/59/962039959.db2.gz YRAAXAHSDSARET-UHFFFAOYSA-N -1 0 336.432 3.734 20 0 EHADRM CC(C)(CCNC(=O)c1cc(Cl)cc(C(F)(F)F)c1)C(=O)[O-] ZINC000262955532 962041529 /nfs/dbraw/zinc/04/15/29/962041529.db2.gz ITJBOBAZVLWPJQ-UHFFFAOYSA-N -1 0 337.725 3.590 20 0 EHADRM CCc1ccc([C@H](NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C(C)C)cc1 ZINC000262977695 962067020 /nfs/dbraw/zinc/06/70/20/962067020.db2.gz SVVXABSDCRJQHN-KZNAEPCWSA-N -1 0 331.456 3.953 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1C ZINC001339717023 962068256 /nfs/dbraw/zinc/06/82/56/962068256.db2.gz YIGYLIMYXWTTLN-CVEARBPZSA-N -1 0 332.444 3.651 20 0 EHADRM CC(C)CN(C(=O)c1ccc(C(=O)[O-])nc1)c1cccc(Cl)c1 ZINC001588871206 962085060 /nfs/dbraw/zinc/08/50/60/962085060.db2.gz PSXHOTMZOZUDDN-UHFFFAOYSA-N -1 0 332.787 3.736 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CCCCC[C@H]1c1ccccc1 ZINC000263002058 962097074 /nfs/dbraw/zinc/09/70/74/962097074.db2.gz RFUFTFVBMIKSCF-INIZCTEOSA-N -1 0 341.407 3.973 20 0 EHADRM C/C(=C/C(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1)c1ccc(F)cc1 ZINC001340564787 962103573 /nfs/dbraw/zinc/10/35/73/962103573.db2.gz UMONERBGSBRPAJ-RMHQSFGDSA-N -1 0 341.382 3.870 20 0 EHADRM COc1ccc2sc(C(=O)N3CC[C@@H](C)C[C@@H]3C(=O)[O-])c(C)c2c1 ZINC000263006861 962104833 /nfs/dbraw/zinc/10/48/33/962104833.db2.gz MTYFSBKBBVXVMV-QMTHXVAHSA-N -1 0 347.436 3.544 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC001340795493 962113048 /nfs/dbraw/zinc/11/30/48/962113048.db2.gz SPKWMDQGHAMTHL-JSGCOSHPSA-N -1 0 331.318 3.714 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccc2c(c1)CCCC2 ZINC000263015859 962120286 /nfs/dbraw/zinc/12/02/86/962120286.db2.gz ZHWUYQIFRLVWCK-BPUTZDHNSA-N -1 0 329.440 3.634 20 0 EHADRM CN(C(=O)NCCCCC(=O)[O-])[C@@H]1CCCC[C@H]1c1ccccc1 ZINC001341434648 962138178 /nfs/dbraw/zinc/13/81/78/962138178.db2.gz WERRRRGPHGDHFO-DLBZAZTESA-N -1 0 332.444 3.609 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC000263027169 962138832 /nfs/dbraw/zinc/13/88/32/962138832.db2.gz UOUSJYPBQYAWTQ-GFCCVEGCSA-N -1 0 343.379 3.534 20 0 EHADRM CC(C)C[C@@H](NC(=O)/C(F)=C\c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001588880669 962142409 /nfs/dbraw/zinc/14/24/09/962142409.db2.gz ASOMJWAWXWQZBK-YQCJOKCJSA-N -1 0 347.308 3.631 20 0 EHADRM Cc1cc(C)cc([C@@H](NC(=O)CSCc2cccs2)C(=O)[O-])c1 ZINC001344493144 962179750 /nfs/dbraw/zinc/17/97/50/962179750.db2.gz NYEBBWATHPFYRQ-MRXNPFEDSA-N -1 0 349.477 3.540 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)N1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001344541535 962193595 /nfs/dbraw/zinc/19/35/95/962193595.db2.gz JBYUOOFQAHRBOD-AWEZNQCLSA-N -1 0 348.443 3.685 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)Nc2cccc(C(F)F)c2Cl)C1 ZINC000263058077 962195594 /nfs/dbraw/zinc/19/55/94/962195594.db2.gz OCXZXHNBOGCJLU-AWEZNQCLSA-N -1 0 332.734 3.606 20 0 EHADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)CC1CCC(c2ccccc2)CC1 ZINC000263066212 962206237 /nfs/dbraw/zinc/20/62/37/962206237.db2.gz BSPIDKBTZKQXMP-OBHHBEAMSA-N -1 0 329.440 3.672 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1cc(C)n(C(C)C)c1C ZINC000263081159 962225083 /nfs/dbraw/zinc/22/50/83/962225083.db2.gz ZDPWLDAFRVPTNV-UHFFFAOYSA-N -1 0 330.384 3.645 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N[C@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000263085012 962231501 /nfs/dbraw/zinc/23/15/01/962231501.db2.gz ZNYYALCOHHABNA-KBPBESRZSA-N -1 0 335.444 3.940 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1ccc(SC(F)(F)F)nc1)C1CCCC1 ZINC001574617666 962234223 /nfs/dbraw/zinc/23/42/23/962234223.db2.gz SQPGEGZRTWXMHF-NSHDSACASA-N -1 0 348.346 3.523 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1ccc(SC(F)(F)F)nc1)C1CCCC1 ZINC001574617663 962234492 /nfs/dbraw/zinc/23/44/92/962234492.db2.gz SQPGEGZRTWXMHF-LLVKDONJSA-N -1 0 348.346 3.523 20 0 EHADRM O=C([O-])CC1(CNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)CCCC1 ZINC001345145800 962245978 /nfs/dbraw/zinc/24/59/78/962245978.db2.gz VUBWFJZUPJTNKW-NEPJUHHUSA-N -1 0 335.366 3.506 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)Nc2ncccc2C(=O)[O-])cc1 ZINC001588906313 962279989 /nfs/dbraw/zinc/27/99/89/962279989.db2.gz YDUGTGAVNRJECO-ZDUSSCGKSA-N -1 0 326.396 3.721 20 0 EHADRM COCc1cc(NC(=O)C[C@@H](C)c2ccc(F)cc2)cc(C(=O)[O-])c1 ZINC000263140945 962293902 /nfs/dbraw/zinc/29/39/02/962293902.db2.gz VDYXTNRRQCHXAR-GFCCVEGCSA-N -1 0 345.370 3.803 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)CCC1 ZINC001574633549 962314302 /nfs/dbraw/zinc/31/43/02/962314302.db2.gz VSWXHQGPKUZCGF-UHFFFAOYSA-N -1 0 346.770 3.721 20 0 EHADRM CC(C)Cn1ccc2c1cccc2C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC001588911712 962320550 /nfs/dbraw/zinc/32/05/50/962320550.db2.gz PBRTXUKCUCPHMP-HUUCEWRRSA-N -1 0 342.439 3.623 20 0 EHADRM CSCCCC(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000263177362 962330990 /nfs/dbraw/zinc/33/09/90/962330990.db2.gz WROKQBHVBNOOAZ-INIZCTEOSA-N -1 0 331.437 3.615 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)C2(Cc3ccccc3F)CC2)cc1 ZINC000263192576 962347590 /nfs/dbraw/zinc/34/75/90/962347590.db2.gz ISPFIUZJLHIZNW-ZDUSSCGKSA-N -1 0 341.382 3.975 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2nc(-c3ccccc3F)cs2)CC=CCC1 ZINC001574641432 962357490 /nfs/dbraw/zinc/35/74/90/962357490.db2.gz VOVJIBQACSYYQH-QGZVFWFLSA-N -1 0 346.383 3.699 20 0 EHADRM CCOCCC1(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)CCCC1 ZINC000263207941 962364499 /nfs/dbraw/zinc/36/44/99/962364499.db2.gz KYWJEPJLLBJNTB-CQSZACIVSA-N -1 0 333.428 3.800 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000263213311 962368045 /nfs/dbraw/zinc/36/80/45/962368045.db2.gz LTJBUBKSXZTCID-BDJLRTHQSA-N -1 0 341.860 3.534 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cc1F ZINC000263224241 962374890 /nfs/dbraw/zinc/37/48/90/962374890.db2.gz PRVIIYZSDDMEBP-QWRGUYRKSA-N -1 0 347.308 3.760 20 0 EHADRM Cc1ccc(CN(C(=O)Cc2ccc(C(=O)[O-])cc2)C(C)C)s1 ZINC000263230595 962378645 /nfs/dbraw/zinc/37/86/45/962378645.db2.gz CTOQILXMBQNNEB-UHFFFAOYSA-N -1 0 331.437 3.734 20 0 EHADRM CC[C@@H](CC(=O)N[C@@](C)(CC(=O)[O-])c1cccc(OC)c1)C(C)C ZINC000263244082 962388136 /nfs/dbraw/zinc/38/81/36/962388136.db2.gz UKSUXMLMVQXPQA-LIRRHRJNSA-N -1 0 335.444 3.574 20 0 EHADRM CC1(C)[C@@H](c2ccccc2)CCN1C(=O)Cc1ccccc1C(=O)[O-] ZINC000263249186 962393268 /nfs/dbraw/zinc/39/32/68/962393268.db2.gz SOBOXDYEWXKORN-GOSISDBHSA-N -1 0 337.419 3.722 20 0 EHADRM CCOc1ccccc1-c1cccc(C(=O)N[C@@H](C(=O)[O-])C(C)C)c1 ZINC000263292872 962432670 /nfs/dbraw/zinc/43/26/70/962432670.db2.gz WYMZXJGANAGZMB-GOSISDBHSA-N -1 0 341.407 3.591 20 0 EHADRM COc1ccc(N(Cc2ccco2)C(=O)CCCCC(=O)[O-])cc1F ZINC000263322763 962464909 /nfs/dbraw/zinc/46/49/09/962464909.db2.gz RTKHBKNHSYNGFD-UHFFFAOYSA-N -1 0 349.358 3.606 20 0 EHADRM O=C([O-])C1CCN(C(=O)NCc2ccc(C3CCCCC3)cc2)CC1 ZINC000263334714 962481588 /nfs/dbraw/zinc/48/15/88/962481588.db2.gz DEATYNSCTXHUSZ-UHFFFAOYSA-N -1 0 344.455 3.741 20 0 EHADRM CC[C@@H](C)Oc1cc(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)ccn1 ZINC000263341192 962492872 /nfs/dbraw/zinc/49/28/72/962492872.db2.gz SAMJGMRHPULSJX-CHWSQXEVSA-N -1 0 342.395 3.699 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000263355171 962509711 /nfs/dbraw/zinc/50/97/11/962509711.db2.gz WTCQTFZGHPLJEB-OLZOCXBDSA-N -1 0 329.371 3.831 20 0 EHADRM O=C([O-])CC1(C(=O)N[C@H]2CC[C@H](c3cccc(Cl)c3)C2)CCC1 ZINC001574667590 962526579 /nfs/dbraw/zinc/52/65/79/962526579.db2.gz OOAGELFJTHSTHS-ZFWWWQNUSA-N -1 0 335.831 3.737 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)Nc2nnc(C3CCCCC3)s2)co1 ZINC001574668285 962532224 /nfs/dbraw/zinc/53/22/24/962532224.db2.gz XTPILBXWQZHVKZ-VOTSOKGWSA-N -1 0 347.396 3.529 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000263339887 1125483117 /nfs/dbraw/zinc/48/31/17/1125483117.db2.gz RRDAHTBMTUSWTM-AWEZNQCLSA-N -1 0 327.380 3.672 20 0 EHADRM C[C@@H](Oc1ccc(C(=O)N2CCC[C@@H]2C(=O)[O-])cc1)c1ccccc1 ZINC000263391796 962552944 /nfs/dbraw/zinc/55/29/44/962552944.db2.gz DUJCUDUKISMBTP-RDTXWAMCSA-N -1 0 339.391 3.516 20 0 EHADRM Cc1cc2occ(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)c2cc1C ZINC000263408269 962574769 /nfs/dbraw/zinc/57/47/69/962574769.db2.gz IEYLLQGMWAJKDP-CQSZACIVSA-N -1 0 329.396 3.767 20 0 EHADRM CN(Cc1cc2ccccc2[nH]1)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001350801153 962598172 /nfs/dbraw/zinc/59/81/72/962598172.db2.gz KLUOHHNASHWCTN-UHFFFAOYSA-N -1 0 328.412 3.552 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC000263434098 962611251 /nfs/dbraw/zinc/61/12/51/962611251.db2.gz LDMBJUYZADOVFT-FQEVSTJZSA-N -1 0 337.375 3.594 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000263445857 962628305 /nfs/dbraw/zinc/62/83/05/962628305.db2.gz QXIYILGWNQNBJJ-HNNXBMFYSA-N -1 0 341.407 3.762 20 0 EHADRM CC(C)c1cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)c2ccccc2n1 ZINC001588964142 962644447 /nfs/dbraw/zinc/64/44/47/962644447.db2.gz SWIZWUDUBQMSEE-KBPBESRZSA-N -1 0 340.423 3.684 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)Nc1ccccc1OCC(C)C ZINC000263471400 962657321 /nfs/dbraw/zinc/65/73/21/962657321.db2.gz YBDZPZYSGVTNQV-UHFFFAOYSA-N -1 0 331.368 3.502 20 0 EHADRM Cc1c(Cl)cccc1C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000263481526 962667387 /nfs/dbraw/zinc/66/73/87/962667387.db2.gz ARTIIQRIXSEBNG-HZPDHXFCSA-N -1 0 343.810 3.589 20 0 EHADRM CCC(CC)(CNC(=O)C1(Cc2cccc(F)c2)CCC1)C(=O)[O-] ZINC000263482871 962669467 /nfs/dbraw/zinc/66/94/67/962669467.db2.gz AZAKUBQWPWKHAR-UHFFFAOYSA-N -1 0 335.419 3.546 20 0 EHADRM O=C([O-])C1CCC(NC(=O)N2CCCC[C@@H]2c2ccccc2)CC1 ZINC000263488115 962674149 /nfs/dbraw/zinc/67/41/49/962674149.db2.gz QEVZZAZXYDPKKP-OFLPRAFFSA-N -1 0 330.428 3.567 20 0 EHADRM O=C([O-])CCCCC(=O)OCc1ccc(OCCC(F)(F)F)cc1 ZINC001574699648 962676101 /nfs/dbraw/zinc/67/61/01/962676101.db2.gz OXMKWRSUDBBVOU-UHFFFAOYSA-N -1 0 348.317 3.706 20 0 EHADRM O=C([O-])CCCCC(=O)Oc1ccc(Br)cc1Cl ZINC001574699689 962676696 /nfs/dbraw/zinc/67/66/96/962676696.db2.gz SRGFNOBZCIFEQE-UHFFFAOYSA-N -1 0 335.581 3.653 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000263511491 962694449 /nfs/dbraw/zinc/69/44/49/962694449.db2.gz CKGQUBGOBCBSNE-WFASDCNBSA-N -1 0 343.810 3.734 20 0 EHADRM CC(C)(CCc1ccccc1)NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000263536193 962716720 /nfs/dbraw/zinc/71/67/20/962716720.db2.gz OSJILJIIERJDNE-UHFFFAOYSA-N -1 0 329.371 3.665 20 0 EHADRM CC(C)(CNC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000263547973 962721930 /nfs/dbraw/zinc/72/19/30/962721930.db2.gz UYPFSFULOCWAIM-JOCQHMNTSA-N -1 0 337.847 3.625 20 0 EHADRM CC[C@H]1Cc2ccccc2CN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000263564404 962733565 /nfs/dbraw/zinc/73/35/65/962733565.db2.gz DYIFRWXBXBDSHZ-SFHVURJKSA-N -1 0 337.419 3.681 20 0 EHADRM Cn1c(C(=O)[O-])ccc1[C@@H]1CCCCN1C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001526766937 962909251 /nfs/dbraw/zinc/90/92/51/962909251.db2.gz WOIVYWYZMLAHCN-ZBFHGGJFSA-N -1 0 344.455 3.747 20 0 EHADRM COc1ccc(N(CC(C)C)C(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC001574216557 962940431 /nfs/dbraw/zinc/94/04/31/962940431.db2.gz BOZPZXMFTZTSGB-UHFFFAOYSA-N -1 0 341.407 3.625 20 0 EHADRM C[C@H]1CN(C(=O)C2(Cc3cccs3)CCCCC2)CC[C@H]1C(=O)[O-] ZINC001552982484 963036171 /nfs/dbraw/zinc/03/61/71/963036171.db2.gz MYXBJCIGWBRXRI-GOEBONIOSA-N -1 0 349.496 3.810 20 0 EHADRM N#Cc1ccc(Br)cc1OCc1ccccc1CC(=O)[O-] ZINC000307967574 963239058 /nfs/dbraw/zinc/23/90/58/963239058.db2.gz SVDNXZXEAANOKB-UHFFFAOYSA-N -1 0 346.180 3.527 20 0 EHADRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)CC(C)(C)C ZINC000311995668 963526311 /nfs/dbraw/zinc/52/63/11/963526311.db2.gz QPYRPBJDTAVHQO-UHFFFAOYSA-N -1 0 328.206 3.830 20 0 EHADRM CC[C@@H]1CC[C@H](C)N(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000312904094 963603855 /nfs/dbraw/zinc/60/38/55/963603855.db2.gz BUDKNNVFNBTLRK-VHSXEESVSA-N -1 0 326.343 3.705 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N[C@@H]2CCCC23CCCCC3)cc1 ZINC000313045572 963616150 /nfs/dbraw/zinc/61/61/50/963616150.db2.gz MOGUMCKJESKZPO-MRXNPFEDSA-N -1 0 330.428 3.687 20 0 EHADRM Cc1sc(NC(=O)c2ccc3ncsc3c2)c(C(=O)[O-])c1C ZINC000314209016 963725119 /nfs/dbraw/zinc/72/51/19/963725119.db2.gz KFXHICFHEMDPLQ-UHFFFAOYSA-N -1 0 332.406 3.925 20 0 EHADRM O=C([O-])c1c(NC(=O)CCCc2cccs2)sc2c1CCC2 ZINC000314231974 963728096 /nfs/dbraw/zinc/72/80/96/963728096.db2.gz VJJOXEZXCDLVIJ-UHFFFAOYSA-N -1 0 335.450 3.958 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2nc3ccc(Cl)cc3s2)c1 ZINC000314330924 963741817 /nfs/dbraw/zinc/74/18/17/963741817.db2.gz DCOUVSINSXKAQT-UHFFFAOYSA-N -1 0 332.768 3.900 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CSc1ccc(Cl)cc1)C1CCCCC1 ZINC000314514110 963763734 /nfs/dbraw/zinc/76/37/34/963763734.db2.gz WVWQXHWHHGVVHL-HNNXBMFYSA-N -1 0 341.860 3.582 20 0 EHADRM C[C@H](Nc1ccc(N(C)C)c(Cl)c1)c1ncc(C(=O)[O-])s1 ZINC000315413092 963897765 /nfs/dbraw/zinc/89/77/65/963897765.db2.gz VZLKEGBJQKQSDM-QMMMGPOBSA-N -1 0 325.821 3.734 20 0 EHADRM O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCCCS1 ZINC000316600229 964028649 /nfs/dbraw/zinc/02/86/49/964028649.db2.gz PIIITJQAISMHJJ-LLVKDONJSA-N -1 0 333.331 3.628 20 0 EHADRM O=C([O-])c1cccc(NC(=O)CCOc2ccc(F)cc2Cl)c1 ZINC000238140570 967788126 /nfs/dbraw/zinc/78/81/26/967788126.db2.gz LSVZKOYHZXMNRI-UHFFFAOYSA-N -1 0 337.734 3.585 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc(OC3CCCC3)cc2)C1 ZINC000263081231 967844218 /nfs/dbraw/zinc/84/42/18/967844218.db2.gz HSQKYXIEMDHUKO-UONOGXRCSA-N -1 0 346.427 3.583 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000263154777 967855363 /nfs/dbraw/zinc/85/53/63/967855363.db2.gz OBIVBEXJWLTXRU-GDBMZVCRSA-N -1 0 333.428 3.723 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000315660711 967974397 /nfs/dbraw/zinc/97/43/97/967974397.db2.gz UWWKVZIVJDLZFQ-VXGBXAGGSA-N -1 0 341.860 3.534 20 0 EHADRM CCC(CC)(CNC(=O)N[C@H](C)c1cc(C)sc1C)C(=O)[O-] ZINC000316816154 967982059 /nfs/dbraw/zinc/98/20/59/967982059.db2.gz JDKKSWSFFFUFTF-LLVKDONJSA-N -1 0 326.462 3.616 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000345801735 968054600 /nfs/dbraw/zinc/05/46/00/968054600.db2.gz FPMOINRQTFZWKW-LBPRGKRZSA-N -1 0 347.798 3.637 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000532874734 968401068 /nfs/dbraw/zinc/40/10/68/968401068.db2.gz TVBJSSSQRBOIQX-DOTOQJQBSA-N -1 0 347.455 3.681 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)C[C@H]1C(=O)[O-] ZINC000567879359 968436011 /nfs/dbraw/zinc/43/60/11/968436011.db2.gz RSTUJKSFOQOLFC-QPUJVOFHSA-N -1 0 349.736 3.542 20 0 EHADRM CC(C)(C)Cc1nc2cc(NC(=O)C3(C(=O)[O-])CCC3)ccc2o1 ZINC000578363489 968467460 /nfs/dbraw/zinc/46/74/60/968467460.db2.gz NSDZYJPTDMGLOJ-UHFFFAOYSA-N -1 0 330.384 3.610 20 0 EHADRM CC(C)N(CC(=O)[O-])Cc1coc(-c2ccccc2C(F)(F)F)n1 ZINC000634691558 968540067 /nfs/dbraw/zinc/54/00/67/968540067.db2.gz JLAQRQNISJIINR-UHFFFAOYSA-N -1 0 342.317 3.655 20 0 EHADRM Cc1ccc(-c2nc(NC(=O)C3(C(=O)[O-])CCC3)sc2C)s1 ZINC000654821178 968677704 /nfs/dbraw/zinc/67/77/04/968677704.db2.gz QGNFKIQNODWMFF-UHFFFAOYSA-N -1 0 336.438 3.682 20 0 EHADRM C[C@H](C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccc(Cl)cc1 ZINC000655574223 968683207 /nfs/dbraw/zinc/68/32/07/968683207.db2.gz LVUMHQWVEGELGX-LWWSYDQCSA-N -1 0 337.847 3.695 20 0 EHADRM Cc1ccc(/C=C/CC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655576079 968684523 /nfs/dbraw/zinc/68/45/23/968684523.db2.gz OXAQSUIJOKTLQR-MCICJRDGSA-N -1 0 329.440 3.650 20 0 EHADRM CC(C)[C@@H](CNC(=O)N(Cc1cccc(Cl)c1)C(C)C)C(=O)[O-] ZINC000655891629 968707368 /nfs/dbraw/zinc/70/73/68/968707368.db2.gz GDNMSBIWHJPNPW-OAHLLOKOSA-N -1 0 340.851 3.617 20 0 EHADRM Cc1ccc(C)c([C@H]2CCCN2C(=O)NC[C@@H](C(=O)[O-])C(C)C)c1 ZINC000655894050 968708549 /nfs/dbraw/zinc/70/85/49/968708549.db2.gz UYCPRKYJDKIBKM-IAGOWNOFSA-N -1 0 332.444 3.507 20 0 EHADRM CC(C)C[C@H](CNC(=O)N[C@H](C)C1CCC(F)(F)CC1)CC(=O)[O-] ZINC000659410873 968736067 /nfs/dbraw/zinc/73/60/67/968736067.db2.gz BJGOOPGUNNIYAZ-OLZOCXBDSA-N -1 0 348.434 3.637 20 0 EHADRM C[C@@H](NC(=O)[C@H](C(=O)[O-])C(C)(C)C)c1nc(-c2ccccc2)cs1 ZINC000663084555 968793064 /nfs/dbraw/zinc/79/30/64/968793064.db2.gz WXAHTHHEKAQYGM-BXUZGUMPSA-N -1 0 346.452 3.734 20 0 EHADRM CC[C@H](C)[C@H](C)NC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666522927 968838333 /nfs/dbraw/zinc/83/83/33/968838333.db2.gz MQXMCKAZDAQZQJ-KBPBESRZSA-N -1 0 332.444 3.708 20 0 EHADRM Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000682437438 968871613 /nfs/dbraw/zinc/87/16/13/968871613.db2.gz XGYAGFBGMBXNHC-UHFFFAOYSA-N -1 0 343.427 3.524 20 0 EHADRM Cc1nc(NC(=O)NC[C@H](C(=O)[O-])C(C)C)sc1-c1ccccc1 ZINC000846793781 969259078 /nfs/dbraw/zinc/25/90/78/969259078.db2.gz ODRRGYZNBDXCHL-ZDUSSCGKSA-N -1 0 347.440 3.597 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)Nc2ccc([C@H](F)C(F)(F)F)cc2)C1 ZINC000887394218 969411627 /nfs/dbraw/zinc/41/16/27/969411627.db2.gz IMDACQRDYZWZND-FZMZJTMJSA-N -1 0 348.296 3.588 20 0 EHADRM CCC(=O)c1cccc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000899312111 969419273 /nfs/dbraw/zinc/41/92/73/969419273.db2.gz SEFOSNHTIIZCAL-HNNXBMFYSA-N -1 0 332.400 3.531 20 0 EHADRM O=C(/C=C\c1ccc(C(=O)[O-])o1)Nc1ccc(N2CCCCC2)cc1 ZINC000901882530 969486055 /nfs/dbraw/zinc/48/60/55/969486055.db2.gz LUSVSFSLUOLPAX-LUAWRHEFSA-N -1 0 340.379 3.620 20 0 EHADRM C[C@@H](C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21)c1ccc(F)c(F)c1 ZINC001348551759 969766763 /nfs/dbraw/zinc/76/67/63/969766763.db2.gz VJLGDBFENDKANB-BXUZGUMPSA-N -1 0 345.345 3.673 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)N1CC2(CCCC2)[C@@H]1c1ccco1 ZINC001606546394 970313980 /nfs/dbraw/zinc/31/39/80/970313980.db2.gz OQGSOUOIIYYMNX-HNNXBMFYSA-N -1 0 341.367 3.522 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1C(=O)c1ccc(-c2cccc(F)c2)s1 ZINC001595161401 970316436 /nfs/dbraw/zinc/31/64/36/970316436.db2.gz RBSJJCJWZNLDAR-ZDUSSCGKSA-N -1 0 333.384 3.634 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)[C@@H]2CSc3ccccc32)s1 ZINC000317789795 970388577 /nfs/dbraw/zinc/38/85/77/970388577.db2.gz YWTAMAQDEHCPPV-GFCCVEGCSA-N -1 0 333.434 3.837 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC000318785322 970471898 /nfs/dbraw/zinc/47/18/98/970471898.db2.gz FBQFQAWXBBUQGW-GRYCIOLGSA-N -1 0 341.860 3.532 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)c1ccc(F)c(Cl)c1 ZINC000318829113 970477690 /nfs/dbraw/zinc/47/76/90/970477690.db2.gz ZIBOWVAODHUKKV-AWEZNQCLSA-N -1 0 327.783 3.633 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)c1cc(Cl)ccc1F ZINC000318916730 970488119 /nfs/dbraw/zinc/48/81/19/970488119.db2.gz UFXWFMZMPAKXEL-AWEZNQCLSA-N -1 0 327.783 3.633 20 0 EHADRM C[C@@H](C(=O)[O-])c1noc(-c2ccccc2OCc2ccc(F)cc2)n1 ZINC001609718041 970495169 /nfs/dbraw/zinc/49/51/69/970495169.db2.gz ITZXTKSSMUVLMD-LLVKDONJSA-N -1 0 342.326 3.643 20 0 EHADRM CCOc1ccc2[nH]c(SCc3cc(C(=O)[O-])c(C)o3)nc2c1 ZINC000319578396 970549699 /nfs/dbraw/zinc/54/96/99/970549699.db2.gz IEDPARXRULLUNL-UHFFFAOYSA-N -1 0 332.381 3.854 20 0 EHADRM Cc1ccccc1N(CCC(=O)[O-])C(=O)c1ccc(Cl)cc1F ZINC000319818264 970576058 /nfs/dbraw/zinc/57/60/58/970576058.db2.gz JQXVMIVCLUTWIZ-UHFFFAOYSA-N -1 0 335.762 3.909 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc(-c2nccs2)c1 ZINC000319951814 970594445 /nfs/dbraw/zinc/59/44/45/970594445.db2.gz HNOAZVOSNDPNFK-UONOGXRCSA-N -1 0 330.409 3.640 20 0 EHADRM O=C([O-])c1ccc(OCc2noc(-c3ccc(Cl)cc3)n2)cc1 ZINC000320045306 970606178 /nfs/dbraw/zinc/60/61/78/970606178.db2.gz KUZHSWIMKISAMM-UHFFFAOYSA-N -1 0 330.727 3.667 20 0 EHADRM CN(CC1CCCCC1)c1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC000320079292 970611669 /nfs/dbraw/zinc/61/16/69/970611669.db2.gz VZBCDPKNZZZLDI-UHFFFAOYSA-N -1 0 326.780 3.963 20 0 EHADRM O=C([O-])c1c(NC(=O)/C=C/c2cccc(F)c2)sc2c1CCC2 ZINC000320302855 970645625 /nfs/dbraw/zinc/64/56/25/970645625.db2.gz KKXCJQWEPVLFDQ-BQYQJAHWSA-N -1 0 331.368 3.726 20 0 EHADRM CC(=O)c1ccccc1OCCOc1cc(Cl)ccc1C(=O)[O-] ZINC000320371965 970656066 /nfs/dbraw/zinc/65/60/66/970656066.db2.gz OWXBPXUVINHOOX-UHFFFAOYSA-N -1 0 334.755 3.699 20 0 EHADRM O=C([O-])c1c(NC(=O)CCc2ccc(F)cc2)sc2c1CCC2 ZINC000320544600 970676271 /nfs/dbraw/zinc/67/62/71/970676271.db2.gz CBOYTUCHIKWIPA-UHFFFAOYSA-N -1 0 333.384 3.645 20 0 EHADRM O=C([O-])c1ccc(SCC(=O)N2CCSc3ccccc32)cc1 ZINC000320633877 970689064 /nfs/dbraw/zinc/68/90/64/970689064.db2.gz GTPZGBWYMZKJST-UHFFFAOYSA-N -1 0 345.445 3.616 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)Nc2ccccc2Cl)Cc2ccccc21 ZINC000320765441 970712312 /nfs/dbraw/zinc/71/23/12/970712312.db2.gz QDYXTHGQJZOWCM-CYBMUJFWSA-N -1 0 330.771 3.556 20 0 EHADRM O=C([O-])c1cccc(-c2nnc(COc3ccc(Cl)cc3)o2)c1 ZINC000320884151 970725462 /nfs/dbraw/zinc/72/54/62/970725462.db2.gz NDZPULXAXFAZAW-UHFFFAOYSA-N -1 0 330.727 3.667 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)Nc2nc3ccccc3s2)cc1 ZINC000320934298 970730769 /nfs/dbraw/zinc/73/07/69/970730769.db2.gz CZLVXQOYHPDMDH-UHFFFAOYSA-N -1 0 327.365 3.567 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)N[C@@H]2CCCC[C@H]2F)c1Cl ZINC001605851598 972596580 /nfs/dbraw/zinc/59/65/80/972596580.db2.gz KNTYVCQJHOJZSX-VXNVDRBHSA-N -1 0 332.734 3.580 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)Nc1ccc(OCC(F)F)cc1 ZINC001605855188 972601470 /nfs/dbraw/zinc/60/14/70/972601470.db2.gz JZQJHCKIUZBKOW-UHFFFAOYSA-N -1 0 336.294 3.673 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)Nc2ccc3c(c2)CCC3)c2ccccc21 ZINC001605857223 972606252 /nfs/dbraw/zinc/60/62/52/972606252.db2.gz DPMPHAJUMNZRAH-ROUUACIJSA-N -1 0 336.391 3.610 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)[C@@H]2CCC[C@@H]21 ZINC000393525314 972608573 /nfs/dbraw/zinc/60/85/73/972608573.db2.gz SJKQFKYVLXCPKN-JKSUJKDBSA-N -1 0 330.428 3.746 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc(Cl)c(OC(F)F)c2)CCCC1 ZINC000182217288 1032079239 /nfs/dbraw/zinc/07/92/39/1032079239.db2.gz WJUKLHSZDKHWPL-UHFFFAOYSA-N -1 0 347.745 3.915 20 0 EHADRM CC1(C)CCN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)c2ccccc21 ZINC001603329032 972687278 /nfs/dbraw/zinc/68/72/78/972687278.db2.gz VGGRAFMNOGXTEN-NTMALXAHSA-N -1 0 325.364 3.706 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC[C@H]1CCCCC1(F)F ZINC000394682330 972737270 /nfs/dbraw/zinc/73/72/70/972737270.db2.gz ZHESRJKPNOAGCN-FWPCIQOSSA-N -1 0 326.339 3.997 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1)C1CC1 ZINC001605901698 972738830 /nfs/dbraw/zinc/73/88/30/972738830.db2.gz WCPTVINKCNWFSE-LBPRGKRZSA-N -1 0 336.800 3.513 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCCc3ccc(F)c(F)c32)c1 ZINC001605132559 972798843 /nfs/dbraw/zinc/79/88/43/972798843.db2.gz RGWLIMSFSRSRNL-UHFFFAOYSA-N -1 0 331.318 3.564 20 0 EHADRM Cc1cc([C@H](NC(=O)[C@@H](C)C(=O)[O-])c2ccccc2Cl)ccc1F ZINC001605145355 972822409 /nfs/dbraw/zinc/82/24/09/972822409.db2.gz AJKCHAASIXGYKA-BZNIZROVSA-N -1 0 349.789 3.714 20 0 EHADRM Cc1cc(C)c(NC(=O)c2ccc(OCC(=O)[O-])cc2)c(Cl)c1 ZINC001605152698 972838960 /nfs/dbraw/zinc/83/89/60/972838960.db2.gz ARCOPZWPPVHSRB-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM Cc1cc2ccccc2c(NC(=O)C2(C(=O)[O-])CCSCC2)c1 ZINC001605193270 972918252 /nfs/dbraw/zinc/91/82/52/972918252.db2.gz UXLKFDJHNQDRCR-UHFFFAOYSA-N -1 0 329.421 3.685 20 0 EHADRM Cc1cc(OCC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)ccc1Cl ZINC000396635358 972926023 /nfs/dbraw/zinc/92/60/23/972926023.db2.gz OJRYSJYZPKNWLU-LBPRGKRZSA-N -1 0 347.798 3.854 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2CSc3ccccc32)cc1 ZINC000396656656 972931926 /nfs/dbraw/zinc/93/19/26/972931926.db2.gz WOWNRZYQIFAESB-XHDPSFHLSA-N -1 0 327.405 3.703 20 0 EHADRM O=C([O-])C1(c2noc(-c3cc(C4CC4)nc4ccccc43)n2)CCC1 ZINC001605961638 972934475 /nfs/dbraw/zinc/93/44/75/972934475.db2.gz JLCXJNSBHLNCJU-UHFFFAOYSA-N -1 0 335.363 3.669 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1c1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000397068034 972962841 /nfs/dbraw/zinc/96/28/41/972962841.db2.gz WNZOKZWYKCBZKI-JKSUJKDBSA-N -1 0 334.375 3.828 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1cc(-c2ccccc2)ns1 ZINC001603381646 972964567 /nfs/dbraw/zinc/96/45/67/972964567.db2.gz TVVHSHJDQXVPBX-DGCLKSJQSA-N -1 0 345.424 3.527 20 0 EHADRM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21 ZINC001603383148 972976351 /nfs/dbraw/zinc/97/63/51/972976351.db2.gz OADIBGAANRCDOL-RTKZEXODSA-N -1 0 341.451 3.739 20 0 EHADRM Cc1cc2scc(CC(=O)N3C[C@@H](C(=O)[O-])CC[C@@H]3C)c2s1 ZINC001605232633 972986613 /nfs/dbraw/zinc/98/66/13/972986613.db2.gz BILHZYYUAYPKTM-ONGXEEELSA-N -1 0 337.466 3.525 20 0 EHADRM Cc1ccc(CC2CCN(C(=O)[C@]3(C(=O)[O-])CC3(C)C)CC2)cc1C ZINC001605265458 973048303 /nfs/dbraw/zinc/04/83/03/973048303.db2.gz ZGGIXTDIGKFREQ-NRFANRHFSA-N -1 0 343.467 3.585 20 0 EHADRM Cc1ccc2c(ccc(C)c2C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC001605310179 973135174 /nfs/dbraw/zinc/13/51/74/973135174.db2.gz OWASRTNMWUFDGN-SUMWQHHRSA-N -1 0 325.408 3.639 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)Nc1ccccc1CC(=O)[O-])[C@H](C)C2 ZINC001605314452 973138368 /nfs/dbraw/zinc/13/83/68/973138368.db2.gz NLWTYNCCXUNSBD-YJYMSZOUSA-N -1 0 338.407 3.677 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2ccc(OC(C)(C)C)cc2)C(=O)[O-])c1 ZINC001605327762 973171070 /nfs/dbraw/zinc/17/10/70/973171070.db2.gz GDQVMHCIWFNZMJ-QGZVFWFLSA-N -1 0 341.407 3.728 20 0 EHADRM Cc1cccc([C@@H](NC(=O)[C@@H](C)SCc2ccccc2)C(=O)[O-])c1 ZINC001605328098 973177630 /nfs/dbraw/zinc/17/76/30/973177630.db2.gz JYHPCRAZBOFPMX-RHSMWYFYSA-N -1 0 343.448 3.559 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)NC[C@@H]2CCC[C@@H]2c2ccccc2)co1 ZINC001606062313 973180649 /nfs/dbraw/zinc/18/06/49/973180649.db2.gz CFXKCIBBRIGRIL-FOGANIIKSA-N -1 0 339.391 3.691 20 0 EHADRM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001605347452 973244440 /nfs/dbraw/zinc/24/44/40/973244440.db2.gz MWWAXAIQLWSMCU-DTZQCDIJSA-N -1 0 329.440 3.545 20 0 EHADRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cc(C)c(C)s2)n[nH]1 ZINC000538009142 1032081436 /nfs/dbraw/zinc/08/14/36/1032081436.db2.gz WQILBRVLJRBCLY-SECBINFHSA-N -1 0 327.475 3.792 20 0 EHADRM Cc1ccnc2ccc(C(=O)N[C@@H]3C[C@@H](C(=O)[O-])c4ccccc43)cc12 ZINC001605366105 973302130 /nfs/dbraw/zinc/30/21/30/973302130.db2.gz XVOGQFBSYNFKHW-IEBWSBKVSA-N -1 0 346.386 3.586 20 0 EHADRM Cc1cn(CC(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)c2ccccc12 ZINC001605367034 973304483 /nfs/dbraw/zinc/30/44/83/973304483.db2.gz LUBZKQUMWUGQOS-KRWDZBQOSA-N -1 0 348.402 3.555 20 0 EHADRM CC(C)=CCC[C@@H](C)CC(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000400792058 973314543 /nfs/dbraw/zinc/31/45/43/973314543.db2.gz UYQFJHBJJXHSNY-PBHICJAKSA-N -1 0 331.412 3.638 20 0 EHADRM CC(C)=CCC[C@H](C)CC(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000400792064 973315017 /nfs/dbraw/zinc/31/50/17/973315017.db2.gz UYQFJHBJJXHSNY-YOEHRIQHSA-N -1 0 331.412 3.638 20 0 EHADRM Cc1nc(NC(=O)N[C@H](CC(C)C)C(=O)[O-])ccc1-c1ccccc1 ZINC001605410854 973413523 /nfs/dbraw/zinc/41/35/23/973413523.db2.gz KFZHJUQQDIBAFS-MRXNPFEDSA-N -1 0 341.411 3.678 20 0 EHADRM O=C([O-])CCNC(=O)N[C@H](c1cccc(Cl)c1)C1CCCCC1 ZINC001606192440 973444956 /nfs/dbraw/zinc/44/49/56/973444956.db2.gz MTUWNEDRIWXMBO-INIZCTEOSA-N -1 0 338.835 3.735 20 0 EHADRM Cc1noc(C2CC2)c1C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001605448665 973523434 /nfs/dbraw/zinc/52/34/34/973523434.db2.gz HKROPPMDHKSLDC-UHFFFAOYSA-N -1 0 338.722 3.603 20 0 EHADRM CC[C@@H](CC(F)(F)F)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000402514026 973615093 /nfs/dbraw/zinc/61/50/93/973615093.db2.gz JZFFUYSWEFFXPH-LURJTMIESA-N -1 0 325.233 3.580 20 0 EHADRM CC[C@@H](CNC(=O)NCCc1c(C)cc(C(C)(C)C)cc1C)C(=O)[O-] ZINC001603561020 973675757 /nfs/dbraw/zinc/67/57/57/973675757.db2.gz JNJMENNMQMBWBO-HNNXBMFYSA-N -1 0 348.487 3.553 20 0 EHADRM Cc1c(NC(=O)N2CCc3ccccc3[C@H](C)C2)cccc1C(=O)[O-] ZINC000404785785 973749183 /nfs/dbraw/zinc/74/91/83/973749183.db2.gz PKSXGKRCOBQTLM-CYBMUJFWSA-N -1 0 338.407 3.887 20 0 EHADRM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001603592752 973793081 /nfs/dbraw/zinc/79/30/81/973793081.db2.gz PFHFMUIMEWEPIH-XDNAFOTISA-N -1 0 344.455 3.608 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000107946716 1014141563 /nfs/dbraw/zinc/14/15/63/1014141563.db2.gz BGMSIGLDRNMMMX-XMHCIUCPSA-N -1 0 335.856 3.633 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)Nc1ccc2c(c1)CCCCC2)CC1CC1 ZINC000405285319 973815606 /nfs/dbraw/zinc/81/56/06/973815606.db2.gz VOQYOIKCUQNDIC-MRXNPFEDSA-N -1 0 330.428 3.578 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C(C)(C)c2ccccc2Cl)C1 ZINC001603594349 973821965 /nfs/dbraw/zinc/82/19/65/973821965.db2.gz VDEOZYRQQAGBCX-GOSISDBHSA-N -1 0 337.847 3.721 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Cc2coc3c2ccc(C)c3C)C1 ZINC001603600981 973847535 /nfs/dbraw/zinc/84/75/35/973847535.db2.gz PREFIPPHVINSQI-FQEVSTJZSA-N -1 0 343.423 3.696 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc(C)sc2-n2cccc2)C1 ZINC001603601179 973849397 /nfs/dbraw/zinc/84/93/97/973849397.db2.gz GQQKIZDSVKOXNR-GOSISDBHSA-N -1 0 346.452 3.564 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2cccc(-n3cccc3)c2)C1 ZINC001603601706 973857134 /nfs/dbraw/zinc/85/71/34/973857134.db2.gz XCMFKXPJFKRDBQ-IBGZPJMESA-N -1 0 341.411 3.586 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)NCc2csc3ccccc23)C1 ZINC001603601734 973858340 /nfs/dbraw/zinc/85/83/40/973858340.db2.gz YGKHFIROOAFXGU-GOSISDBHSA-N -1 0 346.452 3.688 20 0 EHADRM CC[C@@]1(Cc2ccccc2)CCCN1C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC001603617145 973900163 /nfs/dbraw/zinc/90/01/63/973900163.db2.gz PXRJTWDFSBBPHD-XLIONFOSSA-N -1 0 346.471 3.540 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)[C@@H]2Cc3ccc(F)cc32)c1Cl ZINC001606458993 973904949 /nfs/dbraw/zinc/90/49/49/973904949.db2.gz PLVPHTUHYMUNNS-SNVBAGLBSA-N -1 0 337.709 3.595 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)C[C@H]2CCOc3ccccc32)cc1 ZINC000414462326 973941509 /nfs/dbraw/zinc/94/15/09/973941509.db2.gz ZHHXHHGQVUJHSL-UKRRQHHQSA-N -1 0 339.391 3.770 20 0 EHADRM O=C([O-])CCCCCNC(=O)N[C@H](CC1CCC1)c1ccccc1 ZINC000414635597 973945173 /nfs/dbraw/zinc/94/51/73/973945173.db2.gz BMNRLYQGZGQZIN-QGZVFWFLSA-N -1 0 332.444 3.862 20 0 EHADRM Cc1cc(Br)c(CN[C@@H](C(=O)[O-])c2ccsc2)s1 ZINC000417562457 973962405 /nfs/dbraw/zinc/96/24/05/973962405.db2.gz MMUCNKDWWARSCH-LLVKDONJSA-N -1 0 346.271 3.796 20 0 EHADRM CCC[C@@H](OC)C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](CC)C2 ZINC001603634061 973966760 /nfs/dbraw/zinc/96/67/60/973966760.db2.gz VWGTVFHKJXBVTN-CMPLNLGQSA-N -1 0 339.457 3.715 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000417804761 973969301 /nfs/dbraw/zinc/96/93/01/973969301.db2.gz ZLVLHLFZUADPCL-UHFFFAOYSA-N -1 0 337.178 3.899 20 0 EHADRM COc1ccc([C@@H](C)CCNC(=O)c2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001604764528 973984399 /nfs/dbraw/zinc/98/43/99/973984399.db2.gz CNBXFRSGYOUQDS-AWEZNQCLSA-N -1 0 341.407 3.625 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2csc(C3CCCCC3)n2)nc1 ZINC001606502202 973991413 /nfs/dbraw/zinc/99/14/13/973991413.db2.gz NETUKMAYBGJMDI-UHFFFAOYSA-N -1 0 331.397 3.536 20 0 EHADRM CCCCCOc1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)cc1 ZINC001603645695 974001261 /nfs/dbraw/zinc/00/12/61/974001261.db2.gz VQKODRYOXXLZGJ-GOEBONIOSA-N -1 0 333.428 3.581 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N(Cc1ccccc1)CC(F)F ZINC001606522887 974023883 /nfs/dbraw/zinc/02/38/83/974023883.db2.gz OTXJMIPYWOVYOZ-UHFFFAOYSA-N -1 0 334.322 3.684 20 0 EHADRM CC[C@@H](NC(=O)NCCC(C)(C)C(=O)[O-])c1ccc(Cl)s1 ZINC000424404757 974029450 /nfs/dbraw/zinc/02/94/50/974029450.db2.gz HAKYRRLUBAOSQO-SECBINFHSA-N -1 0 332.853 3.653 20 0 EHADRM O=C([O-])c1cccnc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC001606528416 974032904 /nfs/dbraw/zinc/03/29/04/974032904.db2.gz FPXVIHNMVMUIRZ-UHFFFAOYSA-N -1 0 332.359 3.550 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)NCCC(C)(C)C(=O)[O-])cc2)cs1 ZINC000424478920 974038368 /nfs/dbraw/zinc/03/83/68/974038368.db2.gz XUTHNQSENCJWIH-UHFFFAOYSA-N -1 0 347.440 3.741 20 0 EHADRM O=C([O-])[C@H](NCc1cnc(-c2ccccc2)s1)c1ccsc1 ZINC000426790274 974047908 /nfs/dbraw/zinc/04/79/08/974047908.db2.gz CESXTNWOKFMLEE-CQSZACIVSA-N -1 0 330.434 3.787 20 0 EHADRM O=C([O-])[C@H](NCc1csc(-c2ccsc2)n1)c1cccs1 ZINC000426795978 974048241 /nfs/dbraw/zinc/04/82/41/974048241.db2.gz ZVTBIXDNWZLRNZ-GFCCVEGCSA-N -1 0 336.463 3.849 20 0 EHADRM COCc1cc(NC(=O)[C@H](C)c2cccc(C)c2)cc(C(=O)[O-])c1 ZINC000427689372 974055315 /nfs/dbraw/zinc/05/53/15/974055315.db2.gz OQFRUVOHRAWLQX-CYBMUJFWSA-N -1 0 327.380 3.582 20 0 EHADRM COCc1cc(NC(=O)CCc2ccccc2Cl)cc(C(=O)[O-])c1 ZINC000427685638 974055404 /nfs/dbraw/zinc/05/54/04/974055404.db2.gz BBLBQMVAZYNDRB-UHFFFAOYSA-N -1 0 347.798 3.756 20 0 EHADRM CC(C)COc1ncc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000431201802 974061951 /nfs/dbraw/zinc/06/19/51/974061951.db2.gz GOSBKAHAVPPHLW-UHFFFAOYSA-N -1 0 348.786 3.720 20 0 EHADRM O=C([O-])C1(NC(=O)/C=C\c2ccccc2C(F)(F)F)CCCCC1 ZINC001605667427 974065504 /nfs/dbraw/zinc/06/55/04/974065504.db2.gz CKIVXDSLQSWSGF-HJWRWDBZSA-N -1 0 341.329 3.622 20 0 EHADRM Cc1ccc([C@H](CNC(=O)[C@H]2CC[C@H](C(C)C)CC2)C(=O)[O-])cc1 ZINC000431518273 974067511 /nfs/dbraw/zinc/06/75/11/974067511.db2.gz IXCWQBMUJSZGPY-SZMVWBNQSA-N -1 0 331.456 3.742 20 0 EHADRM CC(C)COc1ncc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1Cl ZINC000431648272 974070153 /nfs/dbraw/zinc/07/01/53/974070153.db2.gz OKHVWGLDRRSETN-UHFFFAOYSA-N -1 0 348.786 3.720 20 0 EHADRM CCC(CC)(CNC(=O)c1ccc(-c2ccc(C)o2)s1)C(=O)[O-] ZINC000431798218 974074674 /nfs/dbraw/zinc/07/46/74/974074674.db2.gz GQLCZOAKGUVKQW-UHFFFAOYSA-N -1 0 335.425 3.937 20 0 EHADRM CCSCc1ccc(C(=O)N(C)C2(C(=O)[O-])CCCCC2)cc1 ZINC000431979398 974079614 /nfs/dbraw/zinc/07/96/14/974079614.db2.gz DHWXKPVEQGTDOD-UHFFFAOYSA-N -1 0 335.469 3.799 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)Cc1cccc2cccnc21 ZINC000431991065 974081618 /nfs/dbraw/zinc/08/16/18/974081618.db2.gz IMWDHCDUMKWSCQ-UHFFFAOYSA-N -1 0 334.375 3.731 20 0 EHADRM Cc1cc(C(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])c(Cl)cc1F ZINC000432100715 974086608 /nfs/dbraw/zinc/08/66/08/974086608.db2.gz VODUYUKNJNJWJK-BDJLRTHQSA-N -1 0 327.783 3.551 20 0 EHADRM Cc1ccc(C)c([C@@H](C)N(C)C(=O)c2cccc(OCC(=O)[O-])c2)c1 ZINC000432119591 974089001 /nfs/dbraw/zinc/08/90/01/974089001.db2.gz GYIYVBLLGDWZNY-OAHLLOKOSA-N -1 0 341.407 3.600 20 0 EHADRM Cc1ccc(C(C)(C)CN(C)C(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC000439784360 974108320 /nfs/dbraw/zinc/10/83/20/974108320.db2.gz SBJXWWPSXPIPSQ-UHFFFAOYSA-N -1 0 339.435 3.672 20 0 EHADRM CC1(C)CC[C@@H](CNC(=O)c2cc(C(=O)[O-])co2)c2ccccc21 ZINC000439723453 974108539 /nfs/dbraw/zinc/10/85/39/974108539.db2.gz YWGSURSPOQRNRM-LBPRGKRZSA-N -1 0 327.380 3.563 20 0 EHADRM Cc1cc(C)cc(C2=CCN(C(=O)Cc3cccc(C(=O)[O-])c3)CC2)c1 ZINC000439720654 974108795 /nfs/dbraw/zinc/10/87/95/974108795.db2.gz QJZHKOPKWLMPCL-UHFFFAOYSA-N -1 0 349.430 3.860 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)c1c[nH]cc1-c1ccccc1 ZINC000448999688 974137900 /nfs/dbraw/zinc/13/79/00/974137900.db2.gz ISFIIOQDGODAMM-GOSISDBHSA-N -1 0 340.423 3.835 20 0 EHADRM Cc1cc(C)cc(C(=O)N[C@](C)(CC(=O)[O-])c2cccc(F)c2)c1 ZINC000449005116 974143196 /nfs/dbraw/zinc/14/31/96/974143196.db2.gz TXDKTMRLZSVMRH-LJQANCHMSA-N -1 0 329.371 3.562 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000450522576 974147132 /nfs/dbraw/zinc/14/71/32/974147132.db2.gz YGZVIWGZORPOTG-KUHUBIRLSA-N -1 0 328.412 3.548 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)c1 ZINC000467943433 974193515 /nfs/dbraw/zinc/19/35/15/974193515.db2.gz OPLIYGCKAWBHAM-DENIHFKCSA-N -1 0 349.430 3.937 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)Cc1c(F)cccc1Cl ZINC000472013384 974199193 /nfs/dbraw/zinc/19/91/93/974199193.db2.gz POUCPXGCJXVBDI-UHFFFAOYSA-N -1 0 335.762 3.975 20 0 EHADRM CCCn1c2ccccc2nc1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000478843672 974209920 /nfs/dbraw/zinc/20/99/20/974209920.db2.gz UMKWGZVMWICBOQ-UHFFFAOYSA-N -1 0 341.342 3.536 20 0 EHADRM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000478855808 974212940 /nfs/dbraw/zinc/21/29/40/974212940.db2.gz MSYKYXCYFWVTJA-QGHHPUGFSA-N -1 0 345.345 3.716 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)[C@@H](C)CC2CCCCC2)C(=O)[O-])cc1 ZINC000486384098 974247466 /nfs/dbraw/zinc/24/74/66/974247466.db2.gz BBNKEDPFDVASCJ-MAUKXSAKSA-N -1 0 331.456 3.886 20 0 EHADRM O=C([O-])c1ccc(Nc2cccc3c2OCCO3)cc1C(F)(F)F ZINC001211487505 1014182876 /nfs/dbraw/zinc/18/28/76/1014182876.db2.gz GXVDENGXAIORQQ-UHFFFAOYSA-N -1 0 339.269 3.918 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(NCc3ccc(C)c(C)n3)c12 ZINC000515301782 974297296 /nfs/dbraw/zinc/29/72/96/974297296.db2.gz AVMWXGKOYAEUCI-UHFFFAOYSA-N -1 0 342.424 3.630 20 0 EHADRM Cc1ccccc1[C@H](C(=O)[O-])N1CCO[C@@H](c2ccccc2C)C1 ZINC000515855549 974302366 /nfs/dbraw/zinc/30/23/66/974302366.db2.gz HOEJHRVJXGYIQA-RTBURBONSA-N -1 0 325.408 3.503 20 0 EHADRM COCc1ccc([C@H]2CCCN2Cc2ccc(C(=O)[O-])cc2F)o1 ZINC000516481455 974306842 /nfs/dbraw/zinc/30/68/42/974306842.db2.gz AHDYYXUVCKWOFJ-MRXNPFEDSA-N -1 0 333.359 3.600 20 0 EHADRM O=C([O-])[C@@H](c1c(F)cccc1Cl)N1CCC(C(F)(F)F)CC1 ZINC000516975815 974313143 /nfs/dbraw/zinc/31/31/43/974313143.db2.gz HYLUGPLWYCAPDJ-GFCCVEGCSA-N -1 0 339.716 3.879 20 0 EHADRM CC(C)Oc1ccccc1[C@H](C)NC(=O)c1ccc(C(=O)[O-])s1 ZINC000538468991 974388179 /nfs/dbraw/zinc/38/81/79/974388179.db2.gz XVTVXBVQKXDKKS-NSHDSACASA-N -1 0 333.409 3.725 20 0 EHADRM CCN(Cc1ccccc1Cl)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000538575459 974390765 /nfs/dbraw/zinc/39/07/65/974390765.db2.gz CZRZFZQEIYXLDL-UHFFFAOYSA-N -1 0 331.799 3.629 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)Nc1ccc(Br)cc1 ZINC000538575190 974391135 /nfs/dbraw/zinc/39/11/35/974391135.db2.gz QUYDEBORAVJGLD-UHFFFAOYSA-N -1 0 348.196 3.719 20 0 EHADRM O=C([O-])CC1(CNC(=O)C2(c3cccc(F)c3)CCC2)CCCCC1 ZINC000539678694 974401355 /nfs/dbraw/zinc/40/13/55/974401355.db2.gz YAORHYMXGJVIAN-UHFFFAOYSA-N -1 0 347.430 3.789 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@H](C)Sc1ccc(Cl)cc1 ZINC000540671680 974404287 /nfs/dbraw/zinc/40/42/87/974404287.db2.gz BNWXKDUVWVRKGO-NSHDSACASA-N -1 0 343.876 3.970 20 0 EHADRM O=C([O-])c1cccc(CC(=O)Nc2ccc(CC(F)(F)F)cc2)c1 ZINC000540775856 974408440 /nfs/dbraw/zinc/40/84/40/974408440.db2.gz UFIXPXIUHYGXMB-UHFFFAOYSA-N -1 0 337.297 3.671 20 0 EHADRM CC[C@@H]1CC[C@@H](C)N(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)C1 ZINC001603918772 974415006 /nfs/dbraw/zinc/41/50/06/974415006.db2.gz MNNYKSZGIRZYDR-OMNBBPDLSA-N -1 0 330.428 3.520 20 0 EHADRM Cc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3C(=O)[O-])on2)cc1 ZINC000542518372 974415172 /nfs/dbraw/zinc/41/51/72/974415172.db2.gz LDHDHSDAJOLPBI-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM C[C@H](CC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)C1CCCCC1 ZINC000558138665 974493149 /nfs/dbraw/zinc/49/31/49/974493149.db2.gz NPEFYMBVZZEOLN-FOIQADDNSA-N -1 0 331.456 3.752 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000561450851 974502941 /nfs/dbraw/zinc/50/29/41/974502941.db2.gz VBPUTOSREZOVKW-MRXNPFEDSA-N -1 0 331.456 3.939 20 0 EHADRM CCn1c(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc2ccccc21 ZINC001604003187 974507053 /nfs/dbraw/zinc/50/70/53/974507053.db2.gz PLRBJYCZYNVDGK-VHDGCEQUSA-N -1 0 342.439 3.526 20 0 EHADRM CCc1nc2sccc2c(N[C@H](C)c2ncc(C(=O)[O-])s2)n1 ZINC000563210178 974521144 /nfs/dbraw/zinc/52/11/44/974521144.db2.gz TXEBYEMUUWIHNS-SSDOTTSWSA-N -1 0 334.426 3.582 20 0 EHADRM Cc1cc(C)cc(OCC(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c1 ZINC000563383729 974530645 /nfs/dbraw/zinc/53/06/45/974530645.db2.gz TYDXLTOEKRSEPX-CQSZACIVSA-N -1 0 327.380 3.509 20 0 EHADRM COc1cccc(-c2nc(CN([C@H](C)C(=O)[O-])C3CCC3)cs2)c1 ZINC000563455201 974534281 /nfs/dbraw/zinc/53/42/81/974534281.db2.gz KRRJLTUSWZAFCD-GFCCVEGCSA-N -1 0 346.452 3.646 20 0 EHADRM O=C([O-])c1cccc(CN2CCO[C@H](c3ccc(F)cc3)C2)c1Cl ZINC000564218566 974545553 /nfs/dbraw/zinc/54/55/53/974545553.db2.gz XKWYSSSCHXMLIB-INIZCTEOSA-N -1 0 349.789 3.751 20 0 EHADRM O=C([O-])c1ccc(CN2CCO[C@H](c3ccccc3Cl)C2)c(F)c1 ZINC000564660092 974551498 /nfs/dbraw/zinc/55/14/98/974551498.db2.gz AKJNSUQUFXRETO-KRWDZBQOSA-N -1 0 349.789 3.751 20 0 EHADRM Cc1sc([C@H]2CCCN2c2nccc3occc32)nc1C(=O)[O-] ZINC000565039537 974564879 /nfs/dbraw/zinc/56/48/79/974564879.db2.gz CCSSIUNXIONRNF-LLVKDONJSA-N -1 0 329.381 3.632 20 0 EHADRM C[C@@H](Nc1cncc(OC2CCCCC2)n1)c1ncc(C(=O)[O-])s1 ZINC000565041594 974565699 /nfs/dbraw/zinc/56/56/99/974565699.db2.gz QGIYXWOKMQWTFQ-SNVBAGLBSA-N -1 0 348.428 3.516 20 0 EHADRM CN(CCOc1ccccc1Cl)[C@@H](C(=O)[O-])c1ccsc1 ZINC000565837809 974589748 /nfs/dbraw/zinc/58/97/48/974589748.db2.gz HFFTWKMYKIXNOF-CQSZACIVSA-N -1 0 325.817 3.538 20 0 EHADRM CCCOc1cccc2c(N3CCC4(C[C@H]4C(=O)[O-])CC3)ccnc12 ZINC000566296758 974603943 /nfs/dbraw/zinc/60/39/43/974603943.db2.gz FVEYPOHXVRNCSK-HNNXBMFYSA-N -1 0 340.423 3.715 20 0 EHADRM CN(CCOc1cccc(Cl)c1)[C@H](C(=O)[O-])c1ccsc1 ZINC000568060288 974655897 /nfs/dbraw/zinc/65/58/97/974655897.db2.gz ZQNNSEIVBQPRMF-AWEZNQCLSA-N -1 0 325.817 3.538 20 0 EHADRM COc1cncc(/C=C/CCN2CC[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000568534678 974673194 /nfs/dbraw/zinc/67/31/94/974673194.db2.gz TZVVLWLEJALIED-MJICGBHWSA-N -1 0 338.407 3.572 20 0 EHADRM CC1(C)C[C@H](c2ccccc2)N(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000570805279 974718436 /nfs/dbraw/zinc/71/84/36/974718436.db2.gz NIBQAVJWVHZVGY-BRWVUGGUSA-N -1 0 329.440 3.877 20 0 EHADRM CCCC[C@@H](Sc1cc(-c2ccccc2)nc2ncnn21)C(=O)[O-] ZINC000571539232 974731776 /nfs/dbraw/zinc/73/17/76/974731776.db2.gz VISVJNZXNFUDET-CQSZACIVSA-N -1 0 342.424 3.527 20 0 EHADRM Cn1c2ccccc2nc1[C@@H]1CCCN1Cc1csc(C(=O)[O-])c1 ZINC000572296018 974745398 /nfs/dbraw/zinc/74/53/98/974745398.db2.gz JURSQPJXPWEZAF-HNNXBMFYSA-N -1 0 341.436 3.670 20 0 EHADRM O=C([O-])c1cccc(CN2CCO[C@H](c3ccccc3)C2)c1Cl ZINC000572532904 974750005 /nfs/dbraw/zinc/75/00/05/974750005.db2.gz JEZIYGGSMBURCI-INIZCTEOSA-N -1 0 331.799 3.612 20 0 EHADRM CSc1ccccc1[C@@H](C)NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000572901725 974756073 /nfs/dbraw/zinc/75/60/73/974756073.db2.gz YRNBIADUSXMAHC-CYBMUJFWSA-N -1 0 343.448 3.917 20 0 EHADRM Cc1cc([C@H](NC(=O)Cc2cccc(C(=O)[O-])c2)C2CC2)ccc1F ZINC000573221555 974762167 /nfs/dbraw/zinc/76/21/67/974762167.db2.gz HQJJXRDXRFCACN-LJQANCHMSA-N -1 0 341.382 3.642 20 0 EHADRM C[C@H](NCc1ccccc1OC(F)(F)F)c1ncc(C(=O)[O-])s1 ZINC000573324799 974763352 /nfs/dbraw/zinc/76/33/52/974763352.db2.gz ZMIMYMXAQALNQM-QMMMGPOBSA-N -1 0 346.330 3.591 20 0 EHADRM C[C@@H](NCc1ccccc1OC(F)(F)F)c1ncc(C(=O)[O-])s1 ZINC000573324798 974763399 /nfs/dbraw/zinc/76/33/99/974763399.db2.gz ZMIMYMXAQALNQM-MRVPVSSYSA-N -1 0 346.330 3.591 20 0 EHADRM COc1cc2c(cc1Cl)CN([C@H](C(=O)[O-])c1ccsc1)CC2 ZINC000573505808 974766984 /nfs/dbraw/zinc/76/69/84/974766984.db2.gz BTBAMAWTULYRRW-HNNXBMFYSA-N -1 0 337.828 3.594 20 0 EHADRM Cc1sc(N2CCCn3c(cc4ccccc43)C2)nc1C(=O)[O-] ZINC000574162339 974777893 /nfs/dbraw/zinc/77/78/93/974777893.db2.gz HBPIRNSXTAXJDZ-UHFFFAOYSA-N -1 0 327.409 3.515 20 0 EHADRM CC(C)(CCNC(=O)Nc1cc(Cl)cc2cccnc21)C(=O)[O-] ZINC000576936711 974825670 /nfs/dbraw/zinc/82/56/70/974825670.db2.gz IYRRAYCLJPAAAF-UHFFFAOYSA-N -1 0 335.791 3.511 20 0 EHADRM Cc1ccsc1CN[C@H](C(=O)[O-])c1ccccc1Br ZINC000580146884 974889550 /nfs/dbraw/zinc/88/95/50/974889550.db2.gz SJCZJLMPJWGTSG-ZDUSSCGKSA-N -1 0 340.242 3.735 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)CCCc1ccc(F)cc1)c1ccccc1 ZINC000580962981 974902611 /nfs/dbraw/zinc/90/26/11/974902611.db2.gz MLYNGTFPPCSVBY-GOSISDBHSA-N -1 0 343.398 3.871 20 0 EHADRM CCOc1ccc(-c2nc(CN([C@@H](C)C(=O)[O-])C3CCC3)co2)cc1 ZINC000581955332 974918325 /nfs/dbraw/zinc/91/83/25/974918325.db2.gz BDIYVWUPJWTBNW-ZDUSSCGKSA-N -1 0 344.411 3.568 20 0 EHADRM COc1cc(C)c(NC(=O)Nc2cccc(CC(=O)[O-])c2)c(C)c1C ZINC000582111596 974920353 /nfs/dbraw/zinc/92/03/53/974920353.db2.gz NVQJPTPBFRVNAZ-UHFFFAOYSA-N -1 0 342.395 3.892 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccc(F)cc1 ZINC000612519249 975018941 /nfs/dbraw/zinc/01/89/41/975018941.db2.gz NHHBQZOVRFBPMC-MRXNPFEDSA-N -1 0 344.386 3.826 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)Cc1csc2ccccc12)c1cccs1 ZINC000611826092 975019174 /nfs/dbraw/zinc/01/91/74/975019174.db2.gz AMIMUJGXKZNREV-CYBMUJFWSA-N -1 0 345.445 3.838 20 0 EHADRM Cc1cccc2sc(C(=O)N(C)C[C@@H](C)C(=O)[O-])c(Cl)c21 ZINC000621590406 975047296 /nfs/dbraw/zinc/04/72/96/975047296.db2.gz KAPLGAURWNKOHT-SECBINFHSA-N -1 0 325.817 3.656 20 0 EHADRM C[C@@H](NC(=O)CC[C@H](C)c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC000621611436 975060802 /nfs/dbraw/zinc/06/08/02/975060802.db2.gz CKHIDMKBLINSRW-NWDGAFQWSA-N -1 0 332.425 3.602 20 0 EHADRM O=C([O-])[C@@H]1CC[N@H+](Cc2ncc(-c3cccc(F)c3)o2)[C@H]2CCC[C@H]21 ZINC000629373315 975087218 /nfs/dbraw/zinc/08/72/18/975087218.db2.gz HVXMSADLIUSYGM-XHSDSOJGSA-N -1 0 344.386 3.556 20 0 EHADRM Cc1cc(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)oc1C(=O)[O-] ZINC000630102288 975102058 /nfs/dbraw/zinc/10/20/58/975102058.db2.gz FIDZOFHTSZKLMZ-UHFFFAOYSA-N -1 0 341.285 3.577 20 0 EHADRM Cc1cc(C(=O)N(CCc2ccccc2)C2CCCC2)oc1C(=O)[O-] ZINC000630116648 975108293 /nfs/dbraw/zinc/10/82/93/975108293.db2.gz FPAJYJXTXKGQLB-UHFFFAOYSA-N -1 0 341.407 3.914 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(C(F)F)o1 ZINC000630126979 975112877 /nfs/dbraw/zinc/11/28/77/975112877.db2.gz MXTNLFNCKJKBEK-UHFFFAOYSA-N -1 0 339.294 3.955 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1coc(C(F)F)c1 ZINC000630128187 975113462 /nfs/dbraw/zinc/11/34/62/975113462.db2.gz YXTBCTCTXKNUBM-UHFFFAOYSA-N -1 0 339.294 3.955 20 0 EHADRM Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000630129710 975114957 /nfs/dbraw/zinc/11/49/57/975114957.db2.gz DEZHEPSDHJTHQJ-FDPIWHGQSA-N -1 0 337.419 3.677 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C1(C)CCC(F)(F)CC1 ZINC000630135299 975119860 /nfs/dbraw/zinc/11/98/60/975119860.db2.gz MNMURVPAFGIZGY-UHFFFAOYSA-N -1 0 341.354 3.613 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)ccc1C(=O)[O-] ZINC000630138075 975121946 /nfs/dbraw/zinc/12/19/46/975121946.db2.gz BFEIDTNXZOJNKM-HYVNUMGLSA-N -1 0 341.794 3.871 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)cc1C(=O)[O-] ZINC000630139986 975124033 /nfs/dbraw/zinc/12/40/33/975124033.db2.gz HXVZVIRBFMXRRV-IXDOHACOSA-N -1 0 341.794 3.871 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)CCc1ccc(C(F)F)cc1 ZINC000630146639 975128882 /nfs/dbraw/zinc/12/88/82/975128882.db2.gz BJLFVURPRHWYOF-UHFFFAOYSA-N -1 0 327.371 3.707 20 0 EHADRM Cc1ccccc1C1(C(=O)N2CCC(CCC(=O)[O-])CC2)CCCC1 ZINC000630155308 975132926 /nfs/dbraw/zinc/13/29/26/975132926.db2.gz FBDBJAHEKMVDBT-UHFFFAOYSA-N -1 0 343.467 3.910 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000630156790 975134353 /nfs/dbraw/zinc/13/43/53/975134353.db2.gz JSYQFURTXPQWKN-HZPDHXFCSA-N -1 0 339.391 3.672 20 0 EHADRM C[C@]1(NC(=O)CCc2ccc(C(F)F)cc2)CCCC[C@@H]1C(=O)[O-] ZINC000630163961 975138590 /nfs/dbraw/zinc/13/85/90/975138590.db2.gz RNUHJRWSQBAFLI-KDOFPFPSSA-N -1 0 339.382 3.707 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc3c(ccc4ccccc34)o2)[C@@H](C(=O)[O-])C1 ZINC000630187076 975147619 /nfs/dbraw/zinc/14/76/19/975147619.db2.gz HYXCMUZJPMEZIX-MLGOLLRUSA-N -1 0 337.375 3.911 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)cc1F ZINC000630198860 975157194 /nfs/dbraw/zinc/15/71/94/975157194.db2.gz YFQXJWVMNSCOGC-GDBMZVCRSA-N -1 0 341.382 3.975 20 0 EHADRM CC1(C)[C@H](C(=O)N2CCc3c(cccc3C(=O)[O-])C2)[C@H]1c1ccccc1 ZINC000630216632 975163677 /nfs/dbraw/zinc/16/36/77/975163677.db2.gz LZXDFIHNQUGBET-MOPGFXCFSA-N -1 0 349.430 3.709 20 0 EHADRM CSc1ccc(NC(=O)C[C@@H](C)CC(=O)[O-])cc1Br ZINC000630229847 975176991 /nfs/dbraw/zinc/17/69/91/975176991.db2.gz ABOIHOBQNCSUPQ-MRVPVSSYSA-N -1 0 346.246 3.610 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000630230483 975177411 /nfs/dbraw/zinc/17/74/11/975177411.db2.gz JZIIVZIAMBXHCI-GFCCVEGCSA-N -1 0 349.333 3.584 20 0 EHADRM C[C@H](CC(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1)c1ccccc1 ZINC000630238352 975183458 /nfs/dbraw/zinc/18/34/58/975183458.db2.gz JYFSKFGXQIGACL-CYBMUJFWSA-N -1 0 341.382 3.602 20 0 EHADRM CC(C)(C(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1)C1CCCC1 ZINC000630240999 975186210 /nfs/dbraw/zinc/18/62/10/975186210.db2.gz SBLWKCFJQFCWII-UHFFFAOYSA-N -1 0 333.403 3.625 20 0 EHADRM CCC(CC)CC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC000630255694 975198861 /nfs/dbraw/zinc/19/88/61/975198861.db2.gz NMGCRUIXZJUXKE-UHFFFAOYSA-N -1 0 329.343 3.794 20 0 EHADRM CC1=CC[C@@](C)(C(=O)Nc2ccc(O[C@H](C)C(=O)[O-])c(F)c2)CC1 ZINC000630260793 975204726 /nfs/dbraw/zinc/20/47/26/975204726.db2.gz PKTLWYURONNRBD-KZULUSFZSA-N -1 0 335.375 3.753 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC000630262775 975206016 /nfs/dbraw/zinc/20/60/16/975206016.db2.gz QLUKROCEFDYPOW-ZDUSSCGKSA-N -1 0 338.473 3.586 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)CCc1ccc(Cl)s1)C1CCCCC1 ZINC000630263783 975207216 /nfs/dbraw/zinc/20/72/16/975207216.db2.gz BPOAUVMSPSEPSN-ZDUSSCGKSA-N -1 0 343.876 3.731 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1C2CCC1(C(=O)[O-])CC2 ZINC000630325444 975252660 /nfs/dbraw/zinc/25/26/60/975252660.db2.gz QUBVFICIHBVLJN-UHFFFAOYSA-N -1 0 333.384 3.571 20 0 EHADRM CCOc1ccc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)cc1 ZINC000630327378 975253984 /nfs/dbraw/zinc/25/39/84/975253984.db2.gz FEUXHJCVDKIMOG-DLBZAZTESA-N -1 0 325.364 3.526 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000630328801 975256735 /nfs/dbraw/zinc/25/67/35/975256735.db2.gz HGLKUZXPRPQZGJ-INDMIFKZSA-N -1 0 335.403 3.925 20 0 EHADRM COc1cc(F)cc(OC)c1CNc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000630458762 975265746 /nfs/dbraw/zinc/26/57/46/975265746.db2.gz FGEUNFBFOFQGKE-GFCCVEGCSA-N -1 0 347.386 3.718 20 0 EHADRM Cc1ccnc(Oc2cc(NC(=O)C[C@H](C)CC(=O)[O-])ccc2C)c1 ZINC000634822804 975277638 /nfs/dbraw/zinc/27/76/38/975277638.db2.gz GFEZEJIQLVWUDH-ZDUSSCGKSA-N -1 0 342.395 3.930 20 0 EHADRM Cc1c(NC(=O)CCc2ccc(OC(F)F)cc2)cccc1C(=O)[O-] ZINC000642148818 975290076 /nfs/dbraw/zinc/29/00/76/975290076.db2.gz VCCKTHYJHIQHJY-UHFFFAOYSA-N -1 0 349.333 3.866 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@H](c2ccccc2)C(C)C)c(C)c1 ZINC000107968636 1014249878 /nfs/dbraw/zinc/24/98/78/1014249878.db2.gz MHWVSMIGKGUARY-GBXCKJPGSA-N -1 0 343.492 3.925 20 0 EHADRM Cc1cc(C(F)(F)F)ccc1CNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000647164997 975357885 /nfs/dbraw/zinc/35/78/85/975357885.db2.gz UZYDTILNCPMMAX-RYUDHWBXSA-N -1 0 343.345 3.521 20 0 EHADRM CC1(C)CCC[C@H]1[C@@H]1CCN(C(=O)CCc2ccccc2C(=O)[O-])C1 ZINC000649256145 975395626 /nfs/dbraw/zinc/39/56/26/975395626.db2.gz SAJZYUHWSDOSDW-AEFFLSMTSA-N -1 0 343.467 3.992 20 0 EHADRM Cc1cc(N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)nc(-c2cccs2)n1 ZINC000649405753 975418458 /nfs/dbraw/zinc/41/84/58/975418458.db2.gz LMOALIUCICTRQR-CYBMUJFWSA-N -1 0 345.468 3.841 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2cc(Cl)c(Cl)cc2F)CCC1 ZINC000649543532 975428015 /nfs/dbraw/zinc/42/80/15/975428015.db2.gz PRYHMCZIGLHAIT-UHFFFAOYSA-N -1 0 335.162 3.651 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)[C@@H]2C[C@H]2C2CCCC2)cc1 ZINC000652062366 975463564 /nfs/dbraw/zinc/46/35/64/975463564.db2.gz HLDYEAMFBRVVNV-DLBZAZTESA-N -1 0 331.412 3.695 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCCC[C@@H]2Cc2ccccc2F)C1 ZINC000652121753 975508522 /nfs/dbraw/zinc/50/85/22/975508522.db2.gz UROOYKYYYUNERQ-GVDBMIGSSA-N -1 0 347.430 3.640 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2Cc2ccccc2F)CC1 ZINC000652121626 975508529 /nfs/dbraw/zinc/50/85/29/975508529.db2.gz PUEGRSMWDMSBRU-BFYDXBDKSA-N -1 0 347.430 3.640 20 0 EHADRM CCOC1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)CC1 ZINC000652394287 975520450 /nfs/dbraw/zinc/52/04/50/975520450.db2.gz VBGMFQNCPHPPMZ-UHFFFAOYSA-N -1 0 346.452 3.509 20 0 EHADRM O=C([O-])[C@@H](c1ccccc1F)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000652435205 975530627 /nfs/dbraw/zinc/53/06/27/975530627.db2.gz UHBODUNUEHZVGT-SJKOYZFVSA-N -1 0 349.789 3.758 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000653636342 975599397 /nfs/dbraw/zinc/59/93/97/975599397.db2.gz DOBKNHMQKTUZEE-GOSISDBHSA-N -1 0 343.810 3.848 20 0 EHADRM Cc1ccc(C)c([C@H]2CCCN2C(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC000653642941 975611074 /nfs/dbraw/zinc/61/10/74/975611074.db2.gz HJZRWCITBDNJAK-LJQANCHMSA-N -1 0 337.419 3.908 20 0 EHADRM O=C([O-])CCCCC(=O)N(Cc1ccc(F)cc1F)C1CCCC1 ZINC000655549998 975625911 /nfs/dbraw/zinc/62/59/11/975625911.db2.gz GNPURHMLNVDJKX-UHFFFAOYSA-N -1 0 339.382 3.881 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000655550149 975625946 /nfs/dbraw/zinc/62/59/46/975625946.db2.gz LQRBNWYVMZVTFM-FQEVSTJZSA-N -1 0 329.440 3.528 20 0 EHADRM O=C([O-])CCCCC(=O)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000655552355 975627614 /nfs/dbraw/zinc/62/76/14/975627614.db2.gz OBGNPXDMLVHBRV-UHFFFAOYSA-N -1 0 325.408 3.976 20 0 EHADRM Cc1coc2ccc(NC(=O)N3CCC(CCC(=O)[O-])CC3)cc12 ZINC000656604422 975665575 /nfs/dbraw/zinc/66/55/75/975665575.db2.gz VMRLMHAMYLCMKF-UHFFFAOYSA-N -1 0 330.384 3.850 20 0 EHADRM O=C([O-])[C@@H]1CCN(Cc2nc(C(F)(F)F)cs2)[C@H]2CCCC[C@@H]12 ZINC000656764685 975694463 /nfs/dbraw/zinc/69/44/63/975694463.db2.gz GVXVIBIBALBZPX-AXFHLTTASA-N -1 0 348.390 3.627 20 0 EHADRM CC(C)c1ccc2c(c1)CN(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)CC2 ZINC000656851767 975707157 /nfs/dbraw/zinc/70/71/57/975707157.db2.gz QQBLERZAHJCTFJ-SJORKVTESA-N -1 0 329.440 3.586 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000659115834 975712196 /nfs/dbraw/zinc/71/21/96/975712196.db2.gz IWRIJSYFGAVLAW-RBUKOAKNSA-N -1 0 337.419 3.602 20 0 EHADRM CCC[C@H](C(=O)NCc1ccc(C(=O)[O-])o1)c1ccc(Cl)cc1 ZINC000659134241 975733156 /nfs/dbraw/zinc/73/31/56/975733156.db2.gz OBVOBESUMYPJRR-AWEZNQCLSA-N -1 0 335.787 3.831 20 0 EHADRM CC[C@H]1CN(C(=O)c2cc(C(=O)[O-])oc2C)CC[C@H]1c1ccccc1 ZINC000659140277 975740750 /nfs/dbraw/zinc/74/07/50/975740750.db2.gz MNHMLPMILRQISK-GOEBONIOSA-N -1 0 341.407 3.942 20 0 EHADRM COc1cccc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)c1C ZINC000659141645 975741864 /nfs/dbraw/zinc/74/18/64/975741864.db2.gz DVVHXAMHDXPXEQ-UHFFFAOYSA-N -1 0 341.407 3.511 20 0 EHADRM CC[C@@](NC(=O)[C@H](C)Cc1ccco1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000659147883 975747706 /nfs/dbraw/zinc/74/77/06/975747706.db2.gz FAYALXUCFMVFDA-XIKOKIGWSA-N -1 0 349.814 3.618 20 0 EHADRM Cc1ccc(-c2ncco2)cc1NC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC000659148482 975748964 /nfs/dbraw/zinc/74/89/64/975748964.db2.gz RLVYTAKPMGSJPT-UHFFFAOYSA-N -1 0 340.379 3.624 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000659148747 975750468 /nfs/dbraw/zinc/75/04/68/975750468.db2.gz WZVBWSFGDHIJMD-FJVVXJACSA-N -1 0 325.364 3.604 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCC[C@@]1(C)Cc1ccccc1Cl ZINC000659171754 975770223 /nfs/dbraw/zinc/77/02/23/975770223.db2.gz GPRMURJKFOTSDT-ACJLOTCBSA-N -1 0 337.847 3.765 20 0 EHADRM COc1cc(C)c(C)cc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000659174870 975773256 /nfs/dbraw/zinc/77/32/56/975773256.db2.gz XVAMBGGIOUSTQQ-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM CC(C)Oc1c(NC(=O)[C@@H]2C[C@H]2c2ccco2)cccc1C(=O)[O-] ZINC001591746993 975788867 /nfs/dbraw/zinc/78/88/67/975788867.db2.gz XJBVJPADNHMBDE-CHWSQXEVSA-N -1 0 329.352 3.507 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(F)c(Cl)c2)[C@H]2CCCC[C@@H]12 ZINC000659191596 975789982 /nfs/dbraw/zinc/78/99/82/975789982.db2.gz LYUQNGMWHOYAOM-ZOWXZIJZSA-N -1 0 339.794 3.585 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)NCc2ccoc2C(=O)[O-])cc1 ZINC000659199942 975806920 /nfs/dbraw/zinc/80/69/20/975806920.db2.gz CBNFWJRFHKKXAJ-CYBMUJFWSA-N -1 0 329.396 3.911 20 0 EHADRM CC(C)Oc1cc(F)ccc1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001591755125 975814941 /nfs/dbraw/zinc/81/49/41/975814941.db2.gz AMCGKZNOIDYPGT-UHFFFAOYSA-N -1 0 346.358 3.633 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC000659208710 975818967 /nfs/dbraw/zinc/81/89/67/975818967.db2.gz KHNLOAVZCQDWLY-LLVKDONJSA-N -1 0 341.860 3.683 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N[C@](C)(CCF)C(=O)[O-])c(F)c2)cc1 ZINC000659215823 975827923 /nfs/dbraw/zinc/82/79/23/975827923.db2.gz OMNDRDCZXBRQQS-LJQANCHMSA-N -1 0 347.361 3.734 20 0 EHADRM CC(C)Oc1ccc(-c2noc([C@H]3CCC[C@@H](C(=O)[O-])C3)n2)cc1 ZINC001591757240 975833530 /nfs/dbraw/zinc/83/35/30/975833530.db2.gz YYKGLFJNETUYCO-UONOGXRCSA-N -1 0 330.384 3.882 20 0 EHADRM CC(C)Oc1ccc(C(=O)NCC2(C(=O)[O-])CCCC2)c(Cl)c1 ZINC001591761248 975848829 /nfs/dbraw/zinc/84/88/29/975848829.db2.gz JMFBFJKUNHHKPX-UHFFFAOYSA-N -1 0 339.819 3.502 20 0 EHADRM O=C([O-])c1ccc(CN2CC[C@H](Oc3ccccc3Cl)C2)cc1F ZINC000659787485 975872973 /nfs/dbraw/zinc/87/29/73/975872973.db2.gz MCJGTTRBLVKUBX-ZDUSSCGKSA-N -1 0 349.789 3.831 20 0 EHADRM CC(C)Oc1ccc(Cl)cc1C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-] ZINC001591775806 975920297 /nfs/dbraw/zinc/92/02/97/975920297.db2.gz WEBKSVOWJOGZKP-ZDUSSCGKSA-N -1 0 341.835 3.746 20 0 EHADRM CC(C)Oc1ccc(NC(=O)/C=C/c2ccccc2)c(C(=O)[O-])c1 ZINC001591779739 975941945 /nfs/dbraw/zinc/94/19/45/975941945.db2.gz ALOILLZINOLJMV-DHZHZOJOSA-N -1 0 325.364 3.824 20 0 EHADRM CC(C)Oc1ccc(NC(=O)/C=C/c2cccc(F)c2)c(C(=O)[O-])c1 ZINC001591779827 975941955 /nfs/dbraw/zinc/94/19/55/975941955.db2.gz CCHFNXLKGKFZIX-RMKNXTFCSA-N -1 0 343.354 3.963 20 0 EHADRM CC(C)Oc1ccc(NC(=O)CCc2cccs2)c(C(=O)[O-])c1 ZINC001591786593 975957734 /nfs/dbraw/zinc/95/77/34/975957734.db2.gz JJENSTOBILBRML-UHFFFAOYSA-N -1 0 333.409 3.805 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)NCCCCC(=O)[O-])CCC2 ZINC000666538421 975967683 /nfs/dbraw/zinc/96/76/83/975967683.db2.gz CZORVXXQUOBZCX-KRWDZBQOSA-N -1 0 332.444 3.742 20 0 EHADRM CC(C)Oc1ccc(NCc2nc(C(=O)[O-])cs2)c(Cl)c1 ZINC001591788317 975971420 /nfs/dbraw/zinc/97/14/20/975971420.db2.gz AFTKWIHWWHOHFC-UHFFFAOYSA-N -1 0 326.805 3.894 20 0 EHADRM CCC(CC)(NC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1)C(=O)[O-] ZINC000668285281 975985448 /nfs/dbraw/zinc/98/54/48/975985448.db2.gz GVRTXHPXAOGGLG-UHFFFAOYSA-N -1 0 345.361 3.900 20 0 EHADRM CC(C)Oc1cccc(CC(=O)Oc2cc(Cl)ccc2C(=O)[O-])c1 ZINC001591792106 975994207 /nfs/dbraw/zinc/99/42/07/975994207.db2.gz FQWBUPMNNLUALD-UHFFFAOYSA-N -1 0 348.782 3.974 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)C[C@H]2CCc3ccccc3C2)c2ccccc21 ZINC000669436003 976004140 /nfs/dbraw/zinc/00/41/40/976004140.db2.gz WKTWTJIHQRIPOJ-HNAYVOBHSA-N -1 0 349.430 3.787 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])C1(C)C ZINC000675998291 976025753 /nfs/dbraw/zinc/02/57/53/976025753.db2.gz HGHRKWOMJXBTAT-SVGFKBNWSA-N -1 0 329.440 3.803 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)NCCCc1cccc(Cl)c1 ZINC000679093527 976037353 /nfs/dbraw/zinc/03/73/53/976037353.db2.gz VTAZKSYFDNDKIN-UHFFFAOYSA-N -1 0 345.826 3.720 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000679100697 976043689 /nfs/dbraw/zinc/04/36/89/976043689.db2.gz DMGPNEUAGTTZRR-BFHYXJOUSA-N -1 0 335.469 3.509 20 0 EHADRM CC(C)c1ccc(SCC(=O)N2CCCC[C@H]2CC(=O)[O-])cc1 ZINC000679396349 976049537 /nfs/dbraw/zinc/04/95/37/976049537.db2.gz HEUFLWIDRWSPHZ-HNNXBMFYSA-N -1 0 335.469 3.758 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1cccs1 ZINC000683298650 976082187 /nfs/dbraw/zinc/08/21/87/976082187.db2.gz GZBJYLWMFOJPKG-BARDWOONSA-N -1 0 335.469 3.987 20 0 EHADRM Cc1cc(C)c(CC(=O)N[C@@H](CC(=O)[O-])c2cccs2)c(C)c1 ZINC000683298579 976082983 /nfs/dbraw/zinc/08/29/83/976082983.db2.gz FGHZQJJZFRXJOE-HNNXBMFYSA-N -1 0 331.437 3.548 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(C2CCC2)cc1)c1cccs1 ZINC000685019794 976092968 /nfs/dbraw/zinc/09/29/68/976092968.db2.gz ZYKXOQYDTGSOBK-HNNXBMFYSA-N -1 0 329.421 3.961 20 0 EHADRM CC(C)Sc1ccc([C@@H](C)NC(=O)N[C@H]2CC=C(C(=O)[O-])C2)cc1 ZINC001591829646 976093619 /nfs/dbraw/zinc/09/36/19/976093619.db2.gz VMYNQHCZGNRWLP-DOMZBBRYSA-N -1 0 348.468 3.721 20 0 EHADRM CC(C)[C@@H](NC(=O)c1ccc(-c2cccc3cccnc32)cc1)C(=O)[O-] ZINC001591837068 976110578 /nfs/dbraw/zinc/11/05/78/976110578.db2.gz MENCZKHQVCJSSV-GOSISDBHSA-N -1 0 348.402 3.741 20 0 EHADRM CC(C)c1cc(C(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C)c2ccccc2n1 ZINC001591925646 976408572 /nfs/dbraw/zinc/40/85/72/976408572.db2.gz MCDLSFRZABQDHJ-ZIAGYGMSSA-N -1 0 340.423 3.684 20 0 EHADRM CC(C)c1cc(C(=O)N[C@@H](CC(=O)[O-])C2CC2)c(O)c(C(C)C)c1 ZINC001591925661 976409470 /nfs/dbraw/zinc/40/94/70/976409470.db2.gz NILHNVBYCJDZNW-INIZCTEOSA-N -1 0 333.428 3.622 20 0 EHADRM CC(C)c1cc(C(=O)N[C@@H](CC2CC2)C(=O)[O-])c(O)c(C(C)C)c1 ZINC001591926153 976415370 /nfs/dbraw/zinc/41/53/70/976415370.db2.gz YNMOXSYZILRIHT-INIZCTEOSA-N -1 0 333.428 3.622 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC001591941737 976462587 /nfs/dbraw/zinc/46/25/87/976462587.db2.gz GGUTTZGTUIUAJK-HNAYVOBHSA-N -1 0 339.435 3.872 20 0 EHADRM CC(C)c1ccc(C2(CNC(=O)[C@H]3CC[C@H]3C(=O)[O-])CCCC2)cc1 ZINC001591948090 976496923 /nfs/dbraw/zinc/49/69/23/976496923.db2.gz AINQBPQOSWVUDY-ZWKOTPCHSA-N -1 0 343.467 3.849 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C)cc1 ZINC001591948497 976500565 /nfs/dbraw/zinc/50/05/65/976500565.db2.gz HDWWJOZELBTQTR-CHABLROBSA-N -1 0 329.440 3.925 20 0 EHADRM CC(C)c1ccc(NC(=O)[C@H]2c3c[nH]nc3CC[C@H]2C)c(C(=O)[O-])c1 ZINC001591962785 976550343 /nfs/dbraw/zinc/55/03/43/976550343.db2.gz QYJGQPWDFNGTMD-PIGZYNQJSA-N -1 0 341.411 3.536 20 0 EHADRM CC(C)c1ccc(NC(=O)COc2ccc(F)cc2)c(C(=O)[O-])c1 ZINC001591965026 976554927 /nfs/dbraw/zinc/55/49/27/976554927.db2.gz CNHJZCFLUWWRED-UHFFFAOYSA-N -1 0 331.343 3.665 20 0 EHADRM CC(C)c1ccc(NC(=O)c2ccn(C(C)(C)C)n2)c(C(=O)[O-])c1 ZINC001591967538 976564335 /nfs/dbraw/zinc/56/43/35/976564335.db2.gz FLHQJWCZRSYPGV-UHFFFAOYSA-N -1 0 329.400 3.712 20 0 EHADRM CC(C)c1ccc(NC(=O)c2ccc(C(C)C)[nH]c2=O)c(C(=O)[O-])c1 ZINC001591968433 976566527 /nfs/dbraw/zinc/56/65/27/976566527.db2.gz MELZHAUGQGYOHD-UHFFFAOYSA-N -1 0 342.395 3.985 20 0 EHADRM CC(C)c1ccc2occ(C(=O)N[C@@H](C(=O)[O-])c3cccnc3)c2c1 ZINC001591980664 976594534 /nfs/dbraw/zinc/59/45/34/976594534.db2.gz KDSXCONNWJQQHQ-QGZVFWFLSA-N -1 0 338.363 3.507 20 0 EHADRM CC(C)c1cccc(CC(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)c1 ZINC001591987877 976613509 /nfs/dbraw/zinc/61/35/09/976613509.db2.gz UHOLFJQKTXBSGY-UHFFFAOYSA-N -1 0 344.436 3.703 20 0 EHADRM CC(C)c1cccc(CS(=O)(=O)Cc2csc(C(=O)[O-])c2)c1 ZINC001591992269 976624552 /nfs/dbraw/zinc/62/45/52/976624552.db2.gz VBCWDPDYUBVTLP-UHFFFAOYSA-N -1 0 338.450 3.685 20 0 EHADRM CC(C)c1ccsc1C(=O)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001592002837 976655611 /nfs/dbraw/zinc/65/56/11/976655611.db2.gz JYESQYINJRGINW-UHFFFAOYSA-N -1 0 345.420 3.605 20 0 EHADRM CC(C)c1csc(CN[C@H](C)c2ccccc2OCC(=O)[O-])n1 ZINC001592008699 976680275 /nfs/dbraw/zinc/68/02/75/976680275.db2.gz SASZICORQUAYJA-GFCCVEGCSA-N -1 0 334.441 3.581 20 0 EHADRM CC(C)c1nc(NC(=O)[C@@H]2CCCC(F)(F)C2)sc1C(=O)[O-] ZINC001592021356 976714075 /nfs/dbraw/zinc/71/40/75/976714075.db2.gz CBYAOMPNVVCQCQ-MRVPVSSYSA-N -1 0 332.372 3.729 20 0 EHADRM CC(C)c1nc(NC(=O)CC(C)(C)C(F)(F)F)sc1C(=O)[O-] ZINC001592022255 976719513 /nfs/dbraw/zinc/71/95/13/976719513.db2.gz NENIEMXHCWHTNI-UHFFFAOYSA-N -1 0 338.351 3.882 20 0 EHADRM CC(C)c1nc(NC(=O)c2cccc3scnc32)sc1C(=O)[O-] ZINC001592028696 976729214 /nfs/dbraw/zinc/72/92/14/976729214.db2.gz PUXMYQWNDGEXJP-UHFFFAOYSA-N -1 0 347.421 3.827 20 0 EHADRM CC(C)c1nc2cc(NC(=O)N3C[C@@H](C)[C@H](CC(=O)[O-])C3)ccc2o1 ZINC001592030561 976737680 /nfs/dbraw/zinc/73/76/80/976737680.db2.gz UYTKKFJNIRUIIJ-VXGBXAGGSA-N -1 0 345.399 3.526 20 0 EHADRM CC(C)c1sc(NC(=O)c2ccc3cc[nH]c3c2)nc1C(=O)[O-] ZINC001592114743 976910018 /nfs/dbraw/zinc/91/00/18/976910018.db2.gz INSZWKRJMYHICJ-UHFFFAOYSA-N -1 0 329.381 3.698 20 0 EHADRM CC(C)c1ccc(C2(C(=O)N[C@@H](C)/C=C/C(=O)[O-])CCCC2)cc1 ZINC001592192066 977139536 /nfs/dbraw/zinc/13/95/36/977139536.db2.gz DJVWAWXYMGTTPK-VQCVXAJWSA-N -1 0 329.440 3.767 20 0 EHADRM C[C@H](CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-])c1cccc(F)c1 ZINC001592226207 977415984 /nfs/dbraw/zinc/41/59/84/977415984.db2.gz AKBBCGVYAFUOHQ-HUUCEWRRSA-N -1 0 343.398 3.821 20 0 EHADRM C[C@H](CC(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1)c1ccccc1F ZINC001592245675 977471893 /nfs/dbraw/zinc/47/18/93/977471893.db2.gz JWQALPUPZAYEGH-BFUOFWGJSA-N -1 0 335.419 3.859 20 0 EHADRM C[C@@H](CC(=O)Nc1cc(Cl)c(Cl)cc1C(=O)[O-])[C@@H]1CCCO1 ZINC001592261671 977503652 /nfs/dbraw/zinc/50/36/52/977503652.db2.gz GBIACFQZAADYKI-SDBXPKJASA-N -1 0 346.210 3.835 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)Nc1ccc(CC(F)(F)F)cc1)C1CC1 ZINC001592297785 977640081 /nfs/dbraw/zinc/64/00/81/977640081.db2.gz OJAKAXKQWFSKPH-OAHLLOKOSA-N -1 0 344.333 3.556 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC001592371278 977892409 /nfs/dbraw/zinc/89/24/09/977892409.db2.gz QRAUIKWASFTHMR-DZOHQFGASA-N -1 0 329.440 3.672 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCCSc2cc(Cl)ccc21 ZINC001592376089 977916564 /nfs/dbraw/zinc/91/65/64/977916564.db2.gz YMFJWDUGBZVWNG-JTQLQIEISA-N -1 0 327.833 3.670 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC001592394565 977946240 /nfs/dbraw/zinc/94/62/40/977946240.db2.gz LGMBGWHZCQZYQB-LLVKDONJSA-N -1 0 348.786 3.967 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001592490271 978279985 /nfs/dbraw/zinc/27/99/85/978279985.db2.gz AGALKVVYXFMYJT-INIZCTEOSA-N -1 0 331.456 3.797 20 0 EHADRM O=C([O-])c1ccc(Nc2ccccc2-n2cncn2)cc1C(F)(F)F ZINC001211490457 1014482196 /nfs/dbraw/zinc/48/21/96/1014482196.db2.gz YYCLWWPLYQUYPK-UHFFFAOYSA-N -1 0 348.284 3.728 20 0 EHADRM CC[C@H](NC(=S)N1Cc2ccc(C(=O)[O-])cc2C1)c1cccs1 ZINC000736920414 978366491 /nfs/dbraw/zinc/36/64/91/978366491.db2.gz SIMKVCLVGGDEBW-AWEZNQCLSA-N -1 0 346.477 3.788 20 0 EHADRM C[C@@H](CCNC(=O)Nc1cccc(OCC(=O)[O-])c1)CC(C)(C)C ZINC001592521775 978376964 /nfs/dbraw/zinc/37/69/64/978376964.db2.gz RHDYZDGKIGJALE-ZDUSSCGKSA-N -1 0 336.432 3.734 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC001592540239 978422653 /nfs/dbraw/zinc/42/26/53/978422653.db2.gz IUMAMBZEWLWBCA-CYBMUJFWSA-N -1 0 341.382 3.682 20 0 EHADRM C[C@H](CCc1ccccc1)NC(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001592540235 978422917 /nfs/dbraw/zinc/42/29/17/978422917.db2.gz IQWAZWOEAGHDLL-LLVKDONJSA-N -1 0 347.802 3.576 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)/C=C/c2ccnc3ccccc23)cc1 ZINC000588592307 1032093193 /nfs/dbraw/zinc/09/31/93/1032093193.db2.gz GEDOHWFVZMLNIF-OHJCXFAUSA-N -1 0 344.370 3.985 20 0 EHADRM Cc1cc(C)c(C)c(OCCC(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC000738356289 978523053 /nfs/dbraw/zinc/52/30/53/978523053.db2.gz UBHIAONLSQCXJX-CQSZACIVSA-N -1 0 346.379 3.976 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1)C(=O)[O-] ZINC001592602259 978539297 /nfs/dbraw/zinc/53/92/97/978539297.db2.gz NEWPTVYLHVSHTA-LISAXSMJSA-N -1 0 331.456 3.808 20 0 EHADRM Cn1c(C(=O)Nc2ccc(F)cc2C(=O)[O-])ccc1-c1ccccc1 ZINC000739013200 978612624 /nfs/dbraw/zinc/61/26/24/978612624.db2.gz YLPJSMSESHFSPP-UHFFFAOYSA-N -1 0 338.338 3.782 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ncc(-c3ccccc3)s2)C1 ZINC000739574465 978646219 /nfs/dbraw/zinc/64/62/19/978646219.db2.gz YXSWHJYUIRCKIB-CHWSQXEVSA-N -1 0 330.409 3.640 20 0 EHADRM CCC[C@@](C)(NC(=O)c1oc2ccccc2c1CSC)C(=O)[O-] ZINC000746372034 978684130 /nfs/dbraw/zinc/68/41/30/978684130.db2.gz GHQBOHHRUVINMS-QGZVFWFLSA-N -1 0 335.425 3.669 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)c1ccc2cc[nH]c2n1 ZINC000761597180 978711381 /nfs/dbraw/zinc/71/13/81/978711381.db2.gz PLOOEFALYLDBAC-UHFFFAOYSA-N -1 0 331.331 3.667 20 0 EHADRM CCC[C@@H](NC(=O)c1ccccc1SCc1ccco1)C(=O)[O-] ZINC000777373212 978777346 /nfs/dbraw/zinc/77/73/46/978777346.db2.gz QRFSZVIFDFSPOT-CQSZACIVSA-N -1 0 333.409 3.555 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCN2C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000779428886 978783184 /nfs/dbraw/zinc/78/31/84/978783184.db2.gz JFSRQBNLXSZBML-HUUCEWRRSA-N -1 0 329.440 3.764 20 0 EHADRM COc1ccc2cc(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])ccc2c1 ZINC000818622168 978920131 /nfs/dbraw/zinc/92/01/31/978920131.db2.gz JIAWICMBEMUGCX-OAHLLOKOSA-N -1 0 344.411 3.717 20 0 EHADRM O=C(/C=C/SCc1ccco1)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC000823339085 978930591 /nfs/dbraw/zinc/93/05/91/978930591.db2.gz JNCRBUNWHZYRLE-TUPIDYKKSA-N -1 0 337.441 3.566 20 0 EHADRM O=C(/C=C/SCc1ccco1)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC000823339084 978930670 /nfs/dbraw/zinc/93/06/70/978930670.db2.gz JNCRBUNWHZYRLE-HQPKTYMTSA-N -1 0 337.441 3.566 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)NCc2ccc(C3CCC3)cc2)o1 ZINC000826572910 978947097 /nfs/dbraw/zinc/94/70/97/978947097.db2.gz WNQBGJIPOCNUKH-LUAWRHEFSA-N -1 0 325.364 3.575 20 0 EHADRM Cc1ccc(NC(=O)CCC(=O)c2ccc(F)cc2F)cc1C(=O)[O-] ZINC000832943133 979058408 /nfs/dbraw/zinc/05/84/08/979058408.db2.gz ZKAZZJXUQFROIG-UHFFFAOYSA-N -1 0 347.317 3.573 20 0 EHADRM Cc1ccc2cccc(C(=O)O[C@@H](C(=O)[O-])c3ccccc3F)c2n1 ZINC000832961984 979061333 /nfs/dbraw/zinc/06/13/33/979061333.db2.gz MKDKMAQFBLPOAD-QGZVFWFLSA-N -1 0 339.322 3.665 20 0 EHADRM Cc1cccc2c(CC(=O)O[C@@H](C(=O)[O-])c3ccccc3F)c[nH]c21 ZINC000832975554 979063405 /nfs/dbraw/zinc/06/34/05/979063405.db2.gz CVFBCFMLUSHHLQ-GOSISDBHSA-N -1 0 341.338 3.527 20 0 EHADRM Cc1csc([C@H](NC(=O)Nc2cc(C(=O)[O-])ccc2F)C2CC2)n1 ZINC000832988769 979065236 /nfs/dbraw/zinc/06/52/36/979065236.db2.gz GZKOXHNMAIKMTP-CYBMUJFWSA-N -1 0 349.387 3.562 20 0 EHADRM CC[C@H](C)c1nnc(-c2cc(Br)cc(C(=O)[O-])c2)o1 ZINC001595018224 979089343 /nfs/dbraw/zinc/08/93/43/979089343.db2.gz PXPGQZBTEFSDTL-ZETCQYMHSA-N -1 0 325.162 3.711 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2ccccc2CC(F)(F)F)CCCC1 ZINC000833136475 979091180 /nfs/dbraw/zinc/09/11/80/979091180.db2.gz PNFXWJDLPZPAOK-UHFFFAOYSA-N -1 0 344.333 3.558 20 0 EHADRM CC[C@H](C)n1nc(C(=O)Oc2cc(C(=O)[O-])cc(F)c2C)cc1C ZINC001595022274 979103193 /nfs/dbraw/zinc/10/31/93/979103193.db2.gz JQENFNSGOXYAEA-VIFPVBQESA-N -1 0 334.347 3.527 20 0 EHADRM CC[C@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1)c1ccccc1 ZINC001595033072 979172982 /nfs/dbraw/zinc/17/29/82/979172982.db2.gz CQIQDRTXTICTPW-AUUYWEPGSA-N -1 0 343.398 3.960 20 0 EHADRM CC[C@H](CC(=O)OCc1cccc(C(=O)[O-])n1)c1ccc(C)cc1 ZINC001595037155 979203984 /nfs/dbraw/zinc/20/39/84/979203984.db2.gz QLVPENYENKUSQM-CQSZACIVSA-N -1 0 327.380 3.715 20 0 EHADRM CC[C@@H](CC(=O)Nc1ccc(C(=O)[O-])s1)c1ccc(OC)cc1 ZINC001595037153 979204215 /nfs/dbraw/zinc/20/42/15/979204215.db2.gz QKYXHZLBOJLDSX-NSHDSACASA-N -1 0 333.409 3.977 20 0 EHADRM CCN(CC)c1ncc(CNc2ccc(NC(=O)[O-])c(F)c2)s1 ZINC000833654246 979215827 /nfs/dbraw/zinc/21/58/27/979215827.db2.gz IRHLFNPXASZUPQ-UHFFFAOYSA-N -1 0 338.408 3.830 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC001595045250 979252337 /nfs/dbraw/zinc/25/23/37/979252337.db2.gz IYUZEBRSTQEPLX-UHFFFAOYSA-N -1 0 342.317 3.515 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)COc1ccc(C(C)C)c(C)c1 ZINC001595051053 979282301 /nfs/dbraw/zinc/28/23/01/979282301.db2.gz LOERWKBQZWIGMV-UHFFFAOYSA-N -1 0 335.444 3.647 20 0 EHADRM O=C([O-])C1CCC(Nc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000840994820 979293865 /nfs/dbraw/zinc/29/38/65/979293865.db2.gz QVYSQRFFGFRJOH-UHFFFAOYSA-N -1 0 335.297 3.822 20 0 EHADRM CCOc1ccc(NC2CCC(C(=O)[O-])CC2)cc1Br ZINC000840995026 979295066 /nfs/dbraw/zinc/29/50/66/979295066.db2.gz HDVODVDEKFNZJT-UHFFFAOYSA-N -1 0 342.233 3.903 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000841774169 979309398 /nfs/dbraw/zinc/30/93/98/979309398.db2.gz RGWHXNZWXREFFM-SUMWQHHRSA-N -1 0 341.382 3.609 20 0 EHADRM Cc1ccc(OCc2ccccc2)c(NC(=O)CCCC(=O)[O-])c1 ZINC000843330915 979339091 /nfs/dbraw/zinc/33/90/91/979339091.db2.gz XSSNOSRWHAIOJA-UHFFFAOYSA-N -1 0 327.380 3.767 20 0 EHADRM COc1ccc(CNC(=O)/C=C/C2CCCCCC2)cc1C(=O)[O-] ZINC000846112775 979403970 /nfs/dbraw/zinc/40/39/70/979403970.db2.gz FQHZQOITSBQLHU-PKNBQFBNSA-N -1 0 331.412 3.536 20 0 EHADRM Cc1cc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)sc1-c1ccccc1 ZINC000848875158 979479330 /nfs/dbraw/zinc/47/93/30/979479330.db2.gz DIHUPTLOCQRTDR-DZGCQCFKSA-N -1 0 343.448 3.906 20 0 EHADRM C/C(=C/c1ccco1)C(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC000848877922 979482552 /nfs/dbraw/zinc/48/25/52/979482552.db2.gz WMKUIDBZGWPBIJ-SQFISAMPSA-N -1 0 327.380 3.577 20 0 EHADRM CCc1ccc(CN(C(=O)c2ccc(/C=C/C(=O)[O-])o2)C2CC2)cc1 ZINC000851594286 979505514 /nfs/dbraw/zinc/50/55/14/979505514.db2.gz HNEHHDYJMQXRFD-ZRDIBKRKSA-N -1 0 339.391 3.745 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001595126528 979518302 /nfs/dbraw/zinc/51/83/02/979518302.db2.gz WJHBHEYKEJPBLB-AEFFLSMTSA-N -1 0 349.446 3.934 20 0 EHADRM CC[C@@H](CCc1ccccc1)NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001595128890 979531394 /nfs/dbraw/zinc/53/13/94/979531394.db2.gz CACLGSXRVOQDAY-SFHVURJKSA-N -1 0 340.423 3.595 20 0 EHADRM CC[C@@H](CCc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])s1 ZINC001595129755 979537831 /nfs/dbraw/zinc/53/78/31/979537831.db2.gz QGHAJTWVTKGYDU-ZDUSSCGKSA-N -1 0 332.425 3.979 20 0 EHADRM C[C@](Cc1ccc(Cl)cc1)(NC(=O)C1(F)CCCCC1)C(=O)[O-] ZINC001592838485 979588428 /nfs/dbraw/zinc/58/84/28/979588428.db2.gz OSNBKDMJABAVNE-MRXNPFEDSA-N -1 0 341.810 3.514 20 0 EHADRM CC[C@@](CNC(=O)C1CCCCCCC1)(C(=O)[O-])c1ccccc1 ZINC001595139213 979588783 /nfs/dbraw/zinc/58/87/83/979588783.db2.gz FPUJYMMTWSEZIZ-FQEVSTJZSA-N -1 0 331.456 3.896 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N1CCCCC[C@H]1C(=O)[O-] ZINC000856951787 979612613 /nfs/dbraw/zinc/61/26/13/979612613.db2.gz CXICFTKCHHUCDJ-AWEZNQCLSA-N -1 0 347.436 3.765 20 0 EHADRM CC(C)[C@H]1CN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)CCO1 ZINC000859790052 979630869 /nfs/dbraw/zinc/63/08/69/979630869.db2.gz AXBSLGCPBQJJSH-GOSISDBHSA-N -1 0 329.396 3.502 20 0 EHADRM CC[C@H](CNC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC001595148195 979631595 /nfs/dbraw/zinc/63/15/95/979631595.db2.gz XTIIYIWSZDEQRJ-NVXWUHKLSA-N -1 0 346.471 3.713 20 0 EHADRM CC[C@H](CNC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC001595148199 979631699 /nfs/dbraw/zinc/63/16/99/979631699.db2.gz XTIIYIWSZDEQRJ-WBVHZDCISA-N -1 0 346.471 3.713 20 0 EHADRM CC(C)(CCN1CCO[C@@H](c2ccccc2C(F)(F)F)C1)C(=O)[O-] ZINC000859792683 979632286 /nfs/dbraw/zinc/63/22/86/979632286.db2.gz GDAXETMSJBZHHQ-CQSZACIVSA-N -1 0 345.361 3.580 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1cccc(C(=O)[O-])c1Cl ZINC001592853753 979646804 /nfs/dbraw/zinc/64/68/04/979646804.db2.gz JETUXUKKNRKPOA-JTQLQIEISA-N -1 0 335.762 3.995 20 0 EHADRM COc1ccc([C@H](NC(=O)/C=C/c2cc(C(=O)[O-])co2)C(C)C)cc1 ZINC000864101092 979684906 /nfs/dbraw/zinc/68/49/06/979684906.db2.gz JHNSRDWWEMKGKF-GFOMBABLSA-N -1 0 343.379 3.513 20 0 EHADRM CC(C)[C@@H]1CCCN(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)C1 ZINC001592859896 979685650 /nfs/dbraw/zinc/68/56/50/979685650.db2.gz AFBQCEYXXYRRJC-GDBMZVCRSA-N -1 0 332.444 3.850 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)/C=C/c2cc(C(=O)[O-])co2)cc1 ZINC000864103231 979688866 /nfs/dbraw/zinc/68/88/66/979688866.db2.gz XGMZIFWCRYUUBE-IJDCCNJMSA-N -1 0 325.364 3.663 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N(CC2CC2)C2CCC2)cc1)C(=O)[O-] ZINC001592860999 979694841 /nfs/dbraw/zinc/69/48/41/979694841.db2.gz NNYMHQHUFBMUOS-ZDUSSCGKSA-N -1 0 330.428 3.746 20 0 EHADRM O=C([O-])c1coc(/C=C/C(=O)N2CCC[C@H](c3ccccc3)CC2)c1 ZINC000864108272 979697402 /nfs/dbraw/zinc/69/74/02/979697402.db2.gz RNNZKGCNCGZJCM-FDMDGMSGSA-N -1 0 339.391 3.787 20 0 EHADRM CCC[C@@](C)(NC(=O)Cc1csc2sc(C)cc12)C(=O)[O-] ZINC000864112019 979703384 /nfs/dbraw/zinc/70/33/84/979703384.db2.gz CFFIWWAITMCQBN-OAHLLOKOSA-N -1 0 325.455 3.573 20 0 EHADRM CC[C@H](CNC(=O)c1csc(-c2ccc(Cl)cc2)c1)C(=O)[O-] ZINC001595163863 979703561 /nfs/dbraw/zinc/70/35/61/979703561.db2.gz YPROFUBJMBCLBG-SNVBAGLBSA-N -1 0 337.828 3.909 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)NCC(C)(C)C(F)(F)F)cc1)C(=O)[O-] ZINC001592865504 979706037 /nfs/dbraw/zinc/70/60/37/979706037.db2.gz CFCYUZOBMOCESP-JTQLQIEISA-N -1 0 346.349 3.660 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N2CCc3c2cccc3F)cc1)C(=O)[O-] ZINC001592867301 979713955 /nfs/dbraw/zinc/71/39/55/979713955.db2.gz OBTKTMASBDHVHD-LBPRGKRZSA-N -1 0 342.370 3.684 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)NC[C@H]2CCCC23CC3)cc1)C(=O)[O-] ZINC001592867922 979717067 /nfs/dbraw/zinc/71/70/67/979717067.db2.gz SQKCRIGZIVJXKC-DZGCQCFKSA-N -1 0 330.428 3.652 20 0 EHADRM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000864123362 979721988 /nfs/dbraw/zinc/72/19/88/979721988.db2.gz MUPHHFNESHGSRI-MGAJPHDKSA-N -1 0 329.421 3.508 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Cc1csc2sc(C)cc12 ZINC000864127386 979727469 /nfs/dbraw/zinc/72/74/69/979727469.db2.gz VJULWNDKXZIFEY-UHFFFAOYSA-N -1 0 339.482 3.963 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)NCc2ccccc2Cl)cc1)C(=O)[O-] ZINC001592872487 979729370 /nfs/dbraw/zinc/72/93/70/979729370.db2.gz MKZBTAVOOBDJIQ-GFCCVEGCSA-N -1 0 346.814 3.925 20 0 EHADRM Cc1ccc(C(=O)N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)cc1C(=O)[O-] ZINC000864129629 979730491 /nfs/dbraw/zinc/73/04/91/979730491.db2.gz NFUULDQDSNDJCI-XJKSGUPXSA-N -1 0 341.382 3.851 20 0 EHADRM Cc1cc(C(=O)N2CC=C(c3cccc(C)c3)CC2)oc1C(=O)[O-] ZINC000864137298 979740328 /nfs/dbraw/zinc/74/03/28/979740328.db2.gz SHAXFSFRGYATHT-UHFFFAOYSA-N -1 0 325.364 3.524 20 0 EHADRM CC[C@@](CNc1cc(-c2ccccc2)ncn1)(C(=O)[O-])c1ccccc1 ZINC001595172968 979748340 /nfs/dbraw/zinc/74/83/40/979748340.db2.gz WBSGMUDVLITUMU-NRFANRHFSA-N -1 0 347.418 3.988 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)CCc1ccc(F)cc1 ZINC000864144613 979749792 /nfs/dbraw/zinc/74/97/92/979749792.db2.gz AQYXYGUAQKAMMC-LBPRGKRZSA-N -1 0 345.370 3.740 20 0 EHADRM CCc1cc2c(CC(=O)N3CCC[C@H]3CC(=O)[O-])csc2s1 ZINC000864146188 979751374 /nfs/dbraw/zinc/75/13/74/979751374.db2.gz VDBKHEGIHXRGJG-NSHDSACASA-N -1 0 337.466 3.533 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@]23C[C@H]2CCCC3)ccc1N1CCCCC1 ZINC000864148254 979754512 /nfs/dbraw/zinc/75/45/12/979754512.db2.gz BBEDMMFMBUZVIC-JLTOFOAXSA-N -1 0 342.439 3.894 20 0 EHADRM CC(C)n1ncc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c1Cl ZINC000864149408 979757983 /nfs/dbraw/zinc/75/79/83/979757983.db2.gz RJUBYQQXPMLRJS-JTQLQIEISA-N -1 0 335.791 3.558 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC001592885274 979769351 /nfs/dbraw/zinc/76/93/51/979769351.db2.gz MDUGKPNAFGCMNC-JTQLQIEISA-N -1 0 335.762 3.995 20 0 EHADRM CN(C(=O)/C=C\c1cc(C(=O)[O-])co1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000864158151 979770047 /nfs/dbraw/zinc/77/00/47/979770047.db2.gz BXRKPVXFJCKNRI-MRJODMTISA-N -1 0 345.317 3.571 20 0 EHADRM CC[C@](CNc1ncnc2sc(C)cc21)(C(=O)[O-])c1ccccc1 ZINC001595176801 979771032 /nfs/dbraw/zinc/77/10/32/979771032.db2.gz ZUNYVODWNMLQMS-GOSISDBHSA-N -1 0 341.436 3.844 20 0 EHADRM C[C@@H](OC(=O)[C@@H](C)Cc1ccccc1Cl)c1nc(C(=O)[O-])co1 ZINC001592892191 979789551 /nfs/dbraw/zinc/78/95/51/979789551.db2.gz XAXKEIARWZARBL-VHSXEESVSA-N -1 0 337.759 3.509 20 0 EHADRM CC(C)(C(=O)N[C@@H]1CC=C(C(=O)[O-])C1)c1ccc(-c2ccccc2)cc1 ZINC000864167162 979792736 /nfs/dbraw/zinc/79/27/36/979792736.db2.gz CXTCWATXWVWYFX-LJQANCHMSA-N -1 0 349.430 3.921 20 0 EHADRM C[C@H](Cc1ccccc1F)NC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC001592896602 979797489 /nfs/dbraw/zinc/79/74/89/979797489.db2.gz QENRKSPITFNKBE-CHWSQXEVSA-N -1 0 344.386 3.767 20 0 EHADRM CC[C@H](COC(=O)c1cc(C2CC2)nc2ccc(C)cc21)C(=O)[O-] ZINC001595182884 979811231 /nfs/dbraw/zinc/81/12/31/979811231.db2.gz LSVKGLVJYXDVPZ-GFCCVEGCSA-N -1 0 327.380 3.688 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)c1cc(F)c(Cl)cc1Cl)C1CC1 ZINC000864196757 979861989 /nfs/dbraw/zinc/86/19/89/979861989.db2.gz SFVAEGHWZLFKBN-CQSZACIVSA-N -1 0 334.174 3.506 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)c1ccc(-c2ccccc2Cl)o1)C1CC1 ZINC000864197780 979866465 /nfs/dbraw/zinc/86/64/65/979866465.db2.gz LKBIKFYQBHJHTD-GOSISDBHSA-N -1 0 347.798 3.973 20 0 EHADRM C[C@@H](Cc1cncc2ccccc21)C(=O)O[C@H](CC(C)(C)C)C(=O)[O-] ZINC001592909075 979870835 /nfs/dbraw/zinc/87/08/35/979870835.db2.gz OVXPTVZIZAXMON-SUMWQHHRSA-N -1 0 343.423 3.846 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)C1CC1 ZINC000864199048 979872231 /nfs/dbraw/zinc/87/22/31/979872231.db2.gz BFHYVHVKXXKCME-LVCYWYKZSA-N -1 0 337.419 3.703 20 0 EHADRM C[C@H](Cc1cncc2ccccc21)C(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC001592909286 979872716 /nfs/dbraw/zinc/87/27/16/979872716.db2.gz SUXMZXYOYNFHKL-AUUYWEPGSA-N -1 0 349.386 3.783 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)c1cc2cc(Cl)ccc2s1)C1CC1 ZINC000864200758 979877092 /nfs/dbraw/zinc/87/70/92/979877092.db2.gz FIUMBCSCEQVUQE-MRXNPFEDSA-N -1 0 337.828 3.928 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)c1cc2cc(Cl)ccc2s1)C1CC1 ZINC000864200757 979877339 /nfs/dbraw/zinc/87/73/39/979877339.db2.gz FIUMBCSCEQVUQE-INIZCTEOSA-N -1 0 337.828 3.928 20 0 EHADRM O=C([O-])c1coc(/C=C\C(=O)N2CCC(c3ccc(F)cc3)CC2)c1 ZINC000864217032 979905654 /nfs/dbraw/zinc/90/56/54/979905654.db2.gz KLYRNKGEHLAEJB-WAYWQWQTSA-N -1 0 343.354 3.536 20 0 EHADRM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC000864224715 979910135 /nfs/dbraw/zinc/91/01/35/979910135.db2.gz GOZROWODVWQMLU-PXDYOCJYSA-N -1 0 327.380 3.536 20 0 EHADRM C[C@H](Cn1ccc2ccccc21)C(=O)O[C@H](C)c1cc(C(=O)[O-])co1 ZINC001592919196 979915069 /nfs/dbraw/zinc/91/50/69/979915069.db2.gz ZFXRJNIRNWCPOF-CHWSQXEVSA-N -1 0 341.363 3.873 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)C[C@H]2CCc3ccccc32)c1 ZINC000864229031 979922529 /nfs/dbraw/zinc/92/25/29/979922529.db2.gz HUAKPZRCAJLDON-VQIMIIECSA-N -1 0 337.419 3.747 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)CCCc2ccccc2)c1 ZINC000864230061 979927411 /nfs/dbraw/zinc/92/74/11/979927411.db2.gz ZPYSUPQRCULLCI-GOSISDBHSA-N -1 0 325.408 3.650 20 0 EHADRM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001595204243 979975157 /nfs/dbraw/zinc/97/51/57/979975157.db2.gz CRFIIFJHNZPHOZ-MVGZEHJDSA-N -1 0 347.798 3.782 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC001595211791 979995032 /nfs/dbraw/zinc/99/50/32/979995032.db2.gz VOHRYKTWYXCMHD-HKUYNNGSSA-N -1 0 339.435 3.814 20 0 EHADRM CC(F)(F)CC(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC001592936373 980000786 /nfs/dbraw/zinc/00/07/86/980000786.db2.gz VNLSVMHGQSTWBU-UHFFFAOYSA-N -1 0 349.333 3.948 20 0 EHADRM CC(F)(F)c1ccc(CNC(=O)c2ccccc2CCC(=O)[O-])cc1 ZINC001592944893 980024376 /nfs/dbraw/zinc/02/43/76/980024376.db2.gz SFNBYKRNFSOUBC-UHFFFAOYSA-N -1 0 347.361 3.746 20 0 EHADRM CC(F)(F)c1cccc(NC(=O)NC2(CC(=O)[O-])CCCC2)c1 ZINC001592945009 980025359 /nfs/dbraw/zinc/02/53/59/980025359.db2.gz VJIDKBGHQSRVTI-UHFFFAOYSA-N -1 0 326.343 3.707 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)c2sccc2C(F)F)c1 ZINC000872741301 980135224 /nfs/dbraw/zinc/13/52/24/980135224.db2.gz CDIMMEYFIYZDIY-LBPRGKRZSA-N -1 0 339.363 3.940 20 0 EHADRM CC[C@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1cccc(Cl)c1 ZINC001595237441 980146018 /nfs/dbraw/zinc/14/60/18/980146018.db2.gz HLPZPYZAKOCEGB-LEJCZOIISA-N -1 0 333.771 3.912 20 0 EHADRM CC[C@](NC(=O)CC(C)(C)C1CC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595237776 980149459 /nfs/dbraw/zinc/14/94/59/980149459.db2.gz UDQJEVNYRXLOJI-GOSISDBHSA-N -1 0 337.847 3.972 20 0 EHADRM CC[C@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccc(Cl)cc1 ZINC001595237932 980152378 /nfs/dbraw/zinc/15/23/78/980152378.db2.gz ZVGFJOKFDPEWFJ-GDAGCXPBSA-N -1 0 333.771 3.912 20 0 EHADRM CC[C@](NC(=O)C[C@@H]1CC[C@@H](C)C1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595238318 980154125 /nfs/dbraw/zinc/15/41/25/980154125.db2.gz JYXIBOHXLSRWNY-SNUQEOBHSA-N -1 0 337.847 3.972 20 0 EHADRM CC[C@](NC(=O)C[C@H]1CC[C@@H](C)C1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595238317 980154235 /nfs/dbraw/zinc/15/42/35/980154235.db2.gz JYXIBOHXLSRWNY-FHSNZYRGSA-N -1 0 337.847 3.972 20 0 EHADRM O=C([O-])CCCC(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000872982319 980161089 /nfs/dbraw/zinc/16/10/89/980161089.db2.gz HPWGKHXOOGTTJE-CYBMUJFWSA-N -1 0 343.345 3.666 20 0 EHADRM CC[C@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C)c1cccc2ccccc21 ZINC001595246585 980184548 /nfs/dbraw/zinc/18/45/48/980184548.db2.gz BGLLXLOUWSOBMR-XUWXXGDYSA-N -1 0 340.423 3.796 20 0 EHADRM CC[C@H](NC(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1)c1ccc(Cl)s1 ZINC001595249753 980205193 /nfs/dbraw/zinc/20/51/93/980205193.db2.gz NCHUFCSVACKYRC-YHAQOWFVSA-N -1 0 344.864 3.605 20 0 EHADRM CC[C@H](NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)[C@@H]1CC1(C)C ZINC001595252680 980222930 /nfs/dbraw/zinc/22/29/30/980222930.db2.gz PGVLLOWFZXCNDH-CABZTGNLSA-N -1 0 326.343 3.609 20 0 EHADRM CCC(NC(=O)Nc1cc(C(=O)[O-])cnc1Cl)(C1CC1)C1CC1 ZINC001595253446 980231023 /nfs/dbraw/zinc/23/10/23/980231023.db2.gz ZESWAHRPYHHZKA-UHFFFAOYSA-N -1 0 337.807 3.524 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc(OC)cc1 ZINC001595256902 980241253 /nfs/dbraw/zinc/24/12/53/980241253.db2.gz KHRRZPFBUTWGJN-MRXNPFEDSA-N -1 0 328.368 3.666 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)[C@H]1CCCO1 ZINC001595258782 980258479 /nfs/dbraw/zinc/25/84/79/980258479.db2.gz ZYEMOVVZUREVNK-QWHCGFSZSA-N -1 0 348.424 3.679 20 0 EHADRM C[C@@H](c1ccco1)[N@H+](C)Cc1ccc(C(=O)[O-])c(Br)c1 ZINC000901416741 980262979 /nfs/dbraw/zinc/26/29/79/980262979.db2.gz FTBKASRWRHDXMW-JTQLQIEISA-N -1 0 338.201 3.933 20 0 EHADRM CC[C@@H](NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)c1cc(C)ccc1C ZINC001595259416 980264695 /nfs/dbraw/zinc/26/46/95/980264695.db2.gz ZVNQXGLDQFAKDH-OAHLLOKOSA-N -1 0 328.412 3.828 20 0 EHADRM CC[C@](NC(=O)c1cc(F)ccc1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595265011 980272765 /nfs/dbraw/zinc/27/27/65/980272765.db2.gz JNGDXPPISRIOKE-GOSISDBHSA-N -1 0 349.789 3.907 20 0 EHADRM CC[C@@H](NC(=O)c1cccc(OCC(=O)[O-])c1)c1cc(C)ccc1C ZINC001595271019 980287852 /nfs/dbraw/zinc/28/78/52/980287852.db2.gz WAVBEPQIPUQMIV-GOSISDBHSA-N -1 0 341.407 3.648 20 0 EHADRM CC[C@H](NC(=O)c1ccccc1S[C@H](C)C(=O)[O-])C1CCCC1 ZINC001595272124 980290627 /nfs/dbraw/zinc/29/06/27/980290627.db2.gz HYXWREVQMUNFAN-DOMZBBRYSA-N -1 0 335.469 3.950 20 0 EHADRM C[C@@H](NC(=O)CSCc1csc(C(=O)[O-])c1)c1cccs1 ZINC001593036479 980314284 /nfs/dbraw/zinc/31/42/84/980314284.db2.gz NFWAXBVGZLLWEG-SECBINFHSA-N -1 0 341.479 3.618 20 0 EHADRM CC[C@@H](N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccc2c(c1)CCO2 ZINC001595281838 980339336 /nfs/dbraw/zinc/33/93/36/980339336.db2.gz SZJFZQVEOYSNQG-GXFFZTMASA-N -1 0 332.425 3.578 20 0 EHADRM CC[C@@](NCc1nc(C)c(C)s1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595306237 980456795 /nfs/dbraw/zinc/45/67/95/980456795.db2.gz XQXBPCZISPMQAO-INIZCTEOSA-N -1 0 338.860 3.893 20 0 EHADRM C[C@@H](Cc1ccc(NCc2c(C3CCC3)cnn2C)cc1)C(=O)[O-] ZINC000901735315 980471365 /nfs/dbraw/zinc/47/13/65/980471365.db2.gz QRQLOHGFEIJRSA-ZDUSSCGKSA-N -1 0 327.428 3.563 20 0 EHADRM Cc1ccnc(CNc2cccc([C@@H](C)C(=O)[O-])c2)c1Br ZINC000901812753 980534083 /nfs/dbraw/zinc/53/40/83/980534083.db2.gz BEJGKWYKBNCBHV-LLVKDONJSA-N -1 0 349.228 3.953 20 0 EHADRM CN(Cc1ncc(C(C)(C)C)s1)Cc1ccc(OCC(=O)[O-])cc1 ZINC000901831834 980551281 /nfs/dbraw/zinc/55/12/81/980551281.db2.gz FWUGNQBDDYDYGF-UHFFFAOYSA-N -1 0 348.468 3.536 20 0 EHADRM O=C([O-])[C@@H](C[C@@H]1CCCc2ccccc21)NCc1cc(C2CC2)no1 ZINC000901842899 980563617 /nfs/dbraw/zinc/56/36/17/980563617.db2.gz MTQDSFCNOVQAGW-HNAYVOBHSA-N -1 0 340.423 3.605 20 0 EHADRM CC[C@H](OC(=O)/C(=C\c1ccccc1OC)c1ccccc1)C(=O)[O-] ZINC001595331528 980571561 /nfs/dbraw/zinc/57/15/61/980571561.db2.gz GBAGLBNBJPKTOJ-NOCRFKNCSA-N -1 0 340.375 3.642 20 0 EHADRM Cc1cc([C@@H](NCc2cnc(C3CCC3)s2)C(=O)[O-])ccc1F ZINC000901848659 980573876 /nfs/dbraw/zinc/57/38/76/980573876.db2.gz RSNWLUMTWHBGEF-OAHLLOKOSA-N -1 0 334.416 3.774 20 0 EHADRM CC[C@@H](OC(=O)[C@H](Sc1ccccc1)c1ccccc1)C(=O)[O-] ZINC001595336419 980594157 /nfs/dbraw/zinc/59/41/57/980594157.db2.gz MYFBUZSNEJJDGE-HZPDHXFCSA-N -1 0 330.405 3.926 20 0 EHADRM CCc1nc(C)c([C@@H](C)N(C)C(=O)/C=C/c2ccc(C(=O)[O-])o2)s1 ZINC000901922429 980628814 /nfs/dbraw/zinc/62/88/14/980628814.db2.gz NLIUZRAQJBITTG-MXMFLMJRSA-N -1 0 348.424 3.538 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001595354651 980694024 /nfs/dbraw/zinc/69/40/24/980694024.db2.gz BBJFGZWKTNVKLP-OAGGEKHMSA-N -1 0 339.476 3.512 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)N1CCCCc2cc(C(=O)[O-])ccc21 ZINC001595354774 980695422 /nfs/dbraw/zinc/69/54/22/980695422.db2.gz DNVFTNQUFOZHNF-GOSISDBHSA-N -1 0 345.439 3.792 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001595355557 980703008 /nfs/dbraw/zinc/70/30/08/980703008.db2.gz CFIJUPKIFBIFNB-NVXWUHKLSA-N -1 0 339.476 3.512 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)OC1CCC(CC(=O)[O-])CC1 ZINC001595355628 980703767 /nfs/dbraw/zinc/70/37/67/980703767.db2.gz GXXZRSVNCSVDEU-AVVWSFFYSA-N -1 0 326.433 3.691 20 0 EHADRM CC(C)(C)c1ncc(CN2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)cn1 ZINC000902049782 980713921 /nfs/dbraw/zinc/71/39/21/980713921.db2.gz ZXRSBVJTOGBXEV-IRXDYDNUSA-N -1 0 339.439 3.564 20 0 EHADRM CCOc1ccc(OCC)c(NCc2cc(C(=O)[O-])c(CC)o2)c1 ZINC000902070519 980719569 /nfs/dbraw/zinc/71/95/69/980719569.db2.gz PVRSBOWIHRYNSR-UHFFFAOYSA-N -1 0 333.384 3.950 20 0 EHADRM CC[C@@H](OCCSCc1cnc(C(=O)[O-])cn1)c1ccccc1 ZINC001595357339 980721481 /nfs/dbraw/zinc/72/14/81/980721481.db2.gz ZVBHBZQIZRRXCK-MRXNPFEDSA-N -1 0 332.425 3.576 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)N(CC1CC1)[C@@](C)(CC)C(=O)[O-] ZINC001595357439 980722292 /nfs/dbraw/zinc/72/22/92/980722292.db2.gz ZNCQBMNNFOVTBS-JXFKEZNVSA-N -1 0 347.455 3.644 20 0 EHADRM CC[C@H](Oc1ccccc1Cl)C(=O)Oc1cccc(C(=O)[O-])c1 ZINC001595357714 980724740 /nfs/dbraw/zinc/72/47/40/980724740.db2.gz KSDDNSBHMHEVKT-AWEZNQCLSA-N -1 0 334.755 3.801 20 0 EHADRM CCc1oc(CNc2cccc(-n3nc(C)cc3C)c2)cc1C(=O)[O-] ZINC000902137813 980752770 /nfs/dbraw/zinc/75/27/70/980752770.db2.gz FBDPIONFIFFCGQ-UHFFFAOYSA-N -1 0 339.395 3.955 20 0 EHADRM Cn1cnnc1-c1cccc(N[C@H]2CCC[C@@H](CCCC(=O)[O-])C2)c1 ZINC000902139058 980753759 /nfs/dbraw/zinc/75/37/59/980753759.db2.gz MDLVIWAOIKQTQL-HOCLYGCPSA-N -1 0 342.443 3.708 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@@H](C)c1ccsc1 ZINC001595361734 980764483 /nfs/dbraw/zinc/76/44/83/980764483.db2.gz NNAUVNRRDHGRBM-BBRMVZONSA-N -1 0 331.437 3.916 20 0 EHADRM Cc1cc(CNc2ccc(F)cc2OCC(F)(F)F)oc1C(=O)[O-] ZINC000902257971 980803323 /nfs/dbraw/zinc/80/33/23/980803323.db2.gz ZAWNTFJOVHFYNU-UHFFFAOYSA-N -1 0 347.264 3.979 20 0 EHADRM O=C([O-])CCC[C@@H]1CCC[C@@H](Nc2ccc3c(c2)NC(=O)CC3)C1 ZINC000902261039 980805560 /nfs/dbraw/zinc/80/55/60/980805560.db2.gz HULVAYVLIZSYFO-DZGCQCFKSA-N -1 0 330.428 3.797 20 0 EHADRM O=C([O-])/C=C\c1ccc(CNCc2ccccc2OC2CCC2)o1 ZINC000902288779 980819212 /nfs/dbraw/zinc/81/92/12/980819212.db2.gz YWXXRUQTFYHFQZ-KHPPLWFESA-N -1 0 327.380 3.599 20 0 EHADRM Cc1cc(CNc2ccc(F)cc2OCC(F)F)oc1C(=O)[O-] ZINC000902354110 980848070 /nfs/dbraw/zinc/84/80/70/980848070.db2.gz MAAXEXGBHHLJSQ-UHFFFAOYSA-N -1 0 329.274 3.681 20 0 EHADRM C[C@H](Nc1ccc(F)cc1OCCC(F)(F)F)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000902392395 980868064 /nfs/dbraw/zinc/86/80/64/980868064.db2.gz GJQLPVBKIAARQT-LSJOCFKGSA-N -1 0 335.297 3.678 20 0 EHADRM CCC1(CC)[C@H](OC)C[C@@H]1Nc1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001595373648 980875587 /nfs/dbraw/zinc/87/55/87/980875587.db2.gz NCASRMIJIHPKTJ-NWDGAFQWSA-N -1 0 346.349 3.804 20 0 EHADRM O=C([O-])c1ccc(CNC2(c3cccc(OC(F)(F)F)c3)CC2)o1 ZINC000902435678 980885102 /nfs/dbraw/zinc/88/51/02/980885102.db2.gz CSPVGOMSDIWMDT-UHFFFAOYSA-N -1 0 341.285 3.655 20 0 EHADRM CC[C@@]1(CCc2ccccc2)CCCN1c1cc(C(=O)[O-])ncn1 ZINC001595376966 980909679 /nfs/dbraw/zinc/90/96/79/980909679.db2.gz URKQEKOBSWIGCJ-IBGZPJMESA-N -1 0 325.412 3.557 20 0 EHADRM CC[C@]1(CCc2ccccc2)CCCN1c1cc(C(=O)[O-])ncn1 ZINC001595376967 980909714 /nfs/dbraw/zinc/90/97/14/980909714.db2.gz URKQEKOBSWIGCJ-LJQANCHMSA-N -1 0 325.412 3.557 20 0 EHADRM CC[C@@H]1C[C@@H](C(=O)Oc2cccc3c(CC(=O)[O-])cccc23)CCO1 ZINC001595408936 981003621 /nfs/dbraw/zinc/00/36/21/981003621.db2.gz PFYUFGWVNCDTDG-LSDHHAIUSA-N -1 0 342.391 3.578 20 0 EHADRM CC[C@H]1C[C@H](CC(=O)Nc2ccc(Cl)cc2C(=O)[O-])CCO1 ZINC001595412796 981011563 /nfs/dbraw/zinc/01/15/63/981011563.db2.gz FGSQCJQECYDMOT-PWSUYJOCSA-N -1 0 325.792 3.572 20 0 EHADRM C[C@H](c1ncc(C(C)(C)C)o1)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC000903923846 981040689 /nfs/dbraw/zinc/04/06/89/981040689.db2.gz DBRRHJLWFZSRBM-MNOVXSKESA-N -1 0 349.456 3.677 20 0 EHADRM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2sccc2OC)c1 ZINC000471135086 1014702524 /nfs/dbraw/zinc/70/25/24/1014702524.db2.gz ZGEGDMCTRZCLHK-LLVKDONJSA-N -1 0 341.454 3.735 20 0 EHADRM CC[C@@H]1CCC[C@H]1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001595435022 981062069 /nfs/dbraw/zinc/06/20/69/981062069.db2.gz DZFUDASBJYQEOI-UKRRQHHQSA-N -1 0 330.428 3.750 20 0 EHADRM CC[C@@H]1CCC[C@]1(C)C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC001595436084 981067508 /nfs/dbraw/zinc/06/75/08/981067508.db2.gz OVSPTAREQQKFHW-FMTVUPSXSA-N -1 0 337.391 3.833 20 0 EHADRM CC[C@@H]1CCC[C@@H]1C(=O)Nc1cc(Br)ccc1C(=O)[O-] ZINC001595436366 981069211 /nfs/dbraw/zinc/06/92/11/981069211.db2.gz QTVHTGVTTMXVBB-KOLCDFICSA-N -1 0 340.217 3.912 20 0 EHADRM CC[C@H]1CCCC[C@@H]1C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001595440147 981075996 /nfs/dbraw/zinc/07/59/96/981075996.db2.gz HIBMRTQQONQNDG-DZJNRPSUSA-N -1 0 329.440 3.530 20 0 EHADRM Cn1cc(CNc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c(C2CCCC2)n1 ZINC000904027020 981081436 /nfs/dbraw/zinc/08/14/36/981081436.db2.gz SEWUCBLMYLYKHU-ZWKOTPCHSA-N -1 0 339.439 3.878 20 0 EHADRM CC[C@@H]1CCCC[C@H]1OCC(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001595447388 981095481 /nfs/dbraw/zinc/09/54/81/981095481.db2.gz GLYZFPAQXOMXQR-KBAYOESNSA-N -1 0 347.455 3.612 20 0 EHADRM Cc1ccc([C@@H](NCc2ccn(C3CCCC3)n2)C(=O)[O-])cc1C ZINC000905378393 981100805 /nfs/dbraw/zinc/10/08/05/981100805.db2.gz BJAPQYDQHRBAMX-GOSISDBHSA-N -1 0 327.428 3.531 20 0 EHADRM CC[C@@H]1CCCCN1C(=O)[C@H](C)SCc1ccccc1C(=O)[O-] ZINC001595451314 981107390 /nfs/dbraw/zinc/10/73/90/981107390.db2.gz NUCQCTOBLGYBQQ-DZGCQCFKSA-N -1 0 335.469 3.798 20 0 EHADRM CC[C@H]1CCC[C@H]1CNC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001595456427 981126083 /nfs/dbraw/zinc/12/60/83/981126083.db2.gz QDDOYUNPTHMFAV-ZFZWDLNGSA-N -1 0 330.428 3.823 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CN[C@@H](C)c1cc(Cl)cc2c1OCC2 ZINC000905769103 981146824 /nfs/dbraw/zinc/14/68/24/981146824.db2.gz BSGKYIPEGDRQMX-VIFPVBQESA-N -1 0 335.787 3.725 20 0 EHADRM COc1c(NC(=O)C[C@@H]2C[C@H]2Cc2ccccc2)cccc1C(=O)[O-] ZINC000906496370 981170127 /nfs/dbraw/zinc/17/01/27/981170127.db2.gz PZHPCDZCKOJKCH-CABCVRRESA-N -1 0 339.391 3.601 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)c1 ZINC000907565728 981192423 /nfs/dbraw/zinc/19/24/23/981192423.db2.gz QDFFNIOPKJJYMV-VOWSPCBNSA-N -1 0 339.391 3.591 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cc(F)cc3ccoc32)C1 ZINC000907625875 981201447 /nfs/dbraw/zinc/20/14/47/981201447.db2.gz CRMSJRGLJBMRGP-LBPRGKRZSA-N -1 0 333.359 3.535 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2ccccc2C2CCC2)cc1 ZINC000907629190 981202198 /nfs/dbraw/zinc/20/21/98/981202198.db2.gz OVRUKYGNFUDFEB-UHFFFAOYSA-N -1 0 325.364 3.670 20 0 EHADRM CC[C@H]1c2ccccc2CN1C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001595504320 981278639 /nfs/dbraw/zinc/27/86/39/981278639.db2.gz KTLNAXDRFCEJAQ-SFHVURJKSA-N -1 0 348.402 3.833 20 0 EHADRM CC[C@H]1c2ccsc2CCN1C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001595504871 981279847 /nfs/dbraw/zinc/27/98/47/981279847.db2.gz RBYWAOLBKMQMMB-TZYSRNFLSA-N -1 0 333.453 3.619 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)C/C=C/c2ccc(F)cc2)CCC1 ZINC000908337709 981303056 /nfs/dbraw/zinc/30/30/56/981303056.db2.gz GLUYLMDFIVUQKR-HWKANZROSA-N -1 0 333.403 3.770 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908340627 981305415 /nfs/dbraw/zinc/30/54/15/981305415.db2.gz FJEIVXIANMEFAY-CQSZACIVSA-N -1 0 335.419 3.546 20 0 EHADRM CC/C=C\CCN1Cc2sc(C(=O)[O-])c(Br)c2C1 ZINC001595515013 981319617 /nfs/dbraw/zinc/31/96/17/981319617.db2.gz OZBARQIPWKEIQY-ARJAWSKDSA-N -1 0 330.247 3.881 20 0 EHADRM COc1c(NC(=O)C[C@H]2CCCc3ccccc32)cccc1C(=O)[O-] ZINC000908508399 981319860 /nfs/dbraw/zinc/31/98/60/981319860.db2.gz UYEZTUSHTFJJDC-CQSZACIVSA-N -1 0 339.391 3.842 20 0 EHADRM CC/C=C\CCS[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001595520787 981337559 /nfs/dbraw/zinc/33/75/59/981337559.db2.gz KBUCITYLLBZJKT-VSQXVHSFSA-N -1 0 325.455 3.641 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000908728876 981349003 /nfs/dbraw/zinc/34/90/03/981349003.db2.gz CWJCSMOJNPDTNK-KRWDZBQOSA-N -1 0 339.391 3.589 20 0 EHADRM Cc1cccc([C@@H]2CCCCCN2C(=O)c2ccoc2CC(=O)[O-])c1 ZINC000908809086 981366769 /nfs/dbraw/zinc/36/67/69/981366769.db2.gz IVRRZXRQAXQWQI-KRWDZBQOSA-N -1 0 341.407 3.973 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)s1 ZINC000908815659 981367447 /nfs/dbraw/zinc/36/74/47/981367447.db2.gz FAEXIGSNRKJVSU-KAMYHZANSA-N -1 0 335.469 3.529 20 0 EHADRM C[C@@H]1CN(C(=O)C23CCC(C(=O)[O-])(CC2)C3)CC[C@H]1c1ccccc1 ZINC000908831398 981370502 /nfs/dbraw/zinc/37/05/02/981370502.db2.gz JGBKQKHLEBVJFB-HLTSBHQESA-N -1 0 341.451 3.674 20 0 EHADRM CSc1cc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])c(C)o1 ZINC000908843386 981375945 /nfs/dbraw/zinc/37/59/45/981375945.db2.gz WFGNSRQCSKDEKZ-GFCCVEGCSA-N -1 0 347.436 3.673 20 0 EHADRM CCC[C@@H](C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1ccccn1 ZINC001595537129 981386343 /nfs/dbraw/zinc/38/63/43/981386343.db2.gz IAXPAMMMXJLNBY-CQSZACIVSA-N -1 0 332.787 3.956 20 0 EHADRM CCC[C@@H](C(=O)O[C@@H](C(=O)[O-])c1ccccc1Cl)c1ccccn1 ZINC001595538150 981390193 /nfs/dbraw/zinc/39/01/93/981390193.db2.gz QBFPIOWCCZAYRU-CZUORRHYSA-N -1 0 347.798 3.988 20 0 EHADRM CSc1ccccc1CC(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000908945470 981391172 /nfs/dbraw/zinc/39/11/72/981391172.db2.gz VPGCAYNKUHUXJT-MRXNPFEDSA-N -1 0 343.448 3.673 20 0 EHADRM O=C([O-])CC1(NC(=O)C[C@H](c2ccc(O)cc2)C2CC2)CCCCC1 ZINC000909059388 981408096 /nfs/dbraw/zinc/40/80/96/981408096.db2.gz MHEXJGHNAMIDSU-KRWDZBQOSA-N -1 0 345.439 3.570 20 0 EHADRM CCC[C@@](C)(NC(=O)Nc1ccc(C(=O)[O-])nc1)c1ccccc1 ZINC001595546733 981414103 /nfs/dbraw/zinc/41/41/03/981414103.db2.gz JPHVLZQXJNZSRW-GOSISDBHSA-N -1 0 327.384 3.617 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)nn1[C@@H](C)C1CC1 ZINC000909108725 981419388 /nfs/dbraw/zinc/41/93/88/981419388.db2.gz AGIQNGUXKWGRAF-JTQLQIEISA-N -1 0 347.802 3.766 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc([C@H](C)C(F)(F)F)cc1 ZINC000909311780 981466783 /nfs/dbraw/zinc/46/67/83/981466783.db2.gz NTOPRGQRSIWZPE-QWRGUYRKSA-N -1 0 331.334 3.678 20 0 EHADRM CCCc1[nH]ccc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000909361669 981472234 /nfs/dbraw/zinc/47/22/34/981472234.db2.gz NUQWUYDRODGAFX-HNNXBMFYSA-N -1 0 334.803 3.566 20 0 EHADRM CCCc1[nH]ccc1C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000909372525 981476336 /nfs/dbraw/zinc/47/63/36/981476336.db2.gz YTTJWSWBIMMPCC-OAHLLOKOSA-N -1 0 334.803 3.566 20 0 EHADRM C[C@@H](CN(C(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1)C1CC1)C(=O)[O-] ZINC000909456773 981498516 /nfs/dbraw/zinc/49/85/16/981498516.db2.gz HDWZRZNEWNOTPK-QWRGUYRKSA-N -1 0 343.345 3.521 20 0 EHADRM CCC[C@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC001595578225 981498894 /nfs/dbraw/zinc/49/88/94/981498894.db2.gz BKHDATMCIZPPIY-IAQYHMDHSA-N -1 0 327.371 3.669 20 0 EHADRM C[C@@H](CN(C(=O)c1csc(C2CCCCC2)n1)C1CC1)C(=O)[O-] ZINC000909458637 981499315 /nfs/dbraw/zinc/49/93/15/981499315.db2.gz SRHDCEDQGPSWNF-NSHDSACASA-N -1 0 336.457 3.516 20 0 EHADRM CCCCNc1ccccc1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000909477752 981504928 /nfs/dbraw/zinc/50/49/28/981504928.db2.gz LONXGLDYHSZWPX-OAHLLOKOSA-N -1 0 332.444 3.616 20 0 EHADRM CCC[C@H](C)c1cc(NC(=O)Nc2ccc(CC(=O)[O-])cc2)n[nH]1 ZINC001595579181 981506387 /nfs/dbraw/zinc/50/63/87/981506387.db2.gz LTLFLYCHKITFSV-NSHDSACASA-N -1 0 330.388 3.584 20 0 EHADRM CCC[C@H](CC1CCCC1)C(=O)OCc1nc(C(=O)[O-])cs1 ZINC001595587793 981544293 /nfs/dbraw/zinc/54/42/93/981544293.db2.gz VJSHJVCTNRUGFO-GFCCVEGCSA-N -1 0 325.430 3.881 20 0 EHADRM CCC[C@H](CCc1ccccc1)NC(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001595591595 981548168 /nfs/dbraw/zinc/54/81/68/981548168.db2.gz NWBFGVQWNRCVFI-YLJYHZDGSA-N -1 0 346.471 3.684 20 0 EHADRM CCC[C@@H](CNC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)OCC ZINC001595593248 981556631 /nfs/dbraw/zinc/55/66/31/981556631.db2.gz XOCDCZOPTFYJOQ-HNNXBMFYSA-N -1 0 344.411 3.865 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)N1CCC(c2ccsc2)CC1 ZINC000909726750 981581460 /nfs/dbraw/zinc/58/14/60/981581460.db2.gz XYBLGPKXGHUXEC-UHFFFAOYSA-N -1 0 343.448 3.785 20 0 EHADRM CC(C)[C@H](NC(=O)[C@H](C)CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000909728555 981582247 /nfs/dbraw/zinc/58/22/47/981582247.db2.gz AJQSMZOGSMDCHF-YGRLFVJLSA-N -1 0 331.334 3.630 20 0 EHADRM CC1(c2ccccc2)CC(NC(=O)c2ccccc2CCC(=O)[O-])C1 ZINC000909730245 981583377 /nfs/dbraw/zinc/58/33/77/981583377.db2.gz AMWAMIKJEIOZIQ-UHFFFAOYSA-N -1 0 337.419 3.554 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N(CC)C(c1ccccc1)c1ccccc1 ZINC001594740741 981606288 /nfs/dbraw/zinc/60/62/88/981606288.db2.gz HXSFCFNPMZHEPR-QGZVFWFLSA-N -1 0 325.408 3.735 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC001594747992 981641366 /nfs/dbraw/zinc/64/13/66/981641366.db2.gz OJBGIEWBQYIAAG-QAPCUYQASA-N -1 0 337.375 3.749 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000909836283 981656477 /nfs/dbraw/zinc/65/64/77/981656477.db2.gz NYTLWQJVZCSJIT-ZDUSSCGKSA-N -1 0 343.427 3.993 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC001594759506 981687451 /nfs/dbraw/zinc/68/74/51/981687451.db2.gz KQYWTXXFNHSZGQ-ZDUSSCGKSA-N -1 0 334.759 3.577 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1ccc2[nH]c(CC3CCCCC3)nc2c1 ZINC001594759610 981688274 /nfs/dbraw/zinc/68/82/74/981688274.db2.gz PBJPRCZDPXCHQX-CQSZACIVSA-N -1 0 343.427 3.735 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@@H](C)c1ccccc1C)c1ccccc1 ZINC001594764244 981705873 /nfs/dbraw/zinc/70/58/73/981705873.db2.gz LCVNUFGMEDERQC-YJBOKZPZSA-N -1 0 325.408 3.995 20 0 EHADRM CCC[C@H]1CCC[C@H]1C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC001595622649 981712933 /nfs/dbraw/zinc/71/29/33/981712933.db2.gz UZOJLCVJHBEZMQ-WCQYABFASA-N -1 0 339.819 3.958 20 0 EHADRM CCC[C@@H]1CCC[C@H]1C(=O)Oc1cc(/C=C\C(=O)[O-])ccc1OC ZINC001595622944 981715642 /nfs/dbraw/zinc/71/56/42/981715642.db2.gz XZGUNBQANIRVEG-RQFGCTGCSA-N -1 0 332.396 3.915 20 0 EHADRM CCCC1CCN([C@H](C)C(=O)Nc2c(C)csc2C(=O)[O-])CC1 ZINC001595623506 981722029 /nfs/dbraw/zinc/72/20/29/981722029.db2.gz RGGBHANZBXFBNK-GFCCVEGCSA-N -1 0 338.473 3.594 20 0 EHADRM CCCC1CCN(C(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)CC1 ZINC001595623697 981723957 /nfs/dbraw/zinc/72/39/57/981723957.db2.gz YXUDIILKPPFCTB-UHFFFAOYSA-N -1 0 339.461 3.549 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)CC1(C(F)(F)F)CC1)c1ccccc1 ZINC001594767824 981726633 /nfs/dbraw/zinc/72/66/33/981726633.db2.gz IZKYYRNTGGSTNB-LBPRGKRZSA-N -1 0 329.318 3.615 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@H]1CCCC(F)(F)C1)c1ccccc1 ZINC001594768232 981728784 /nfs/dbraw/zinc/72/87/84/981728784.db2.gz RMFRQBMJYYDSCZ-GXTWGEPZSA-N -1 0 325.355 3.708 20 0 EHADRM C[C@H](CC(=O)N1CCCCC[C@@H]1C(=O)[O-])c1c[nH]c2ccccc21 ZINC000910043694 981741376 /nfs/dbraw/zinc/74/13/76/981741376.db2.gz IEHVPVDRSZMPRB-CXAGYDPISA-N -1 0 328.412 3.517 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)/C(C)=C/c1ccc(F)cc1 ZINC001594778139 981772543 /nfs/dbraw/zinc/77/25/43/981772543.db2.gz IRQKTJZGKPAPOT-XSSIKURBSA-N -1 0 333.403 3.721 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@@H]1Cc2ccc(C)cc2S1 ZINC001594779533 981781200 /nfs/dbraw/zinc/78/12/00/981781200.db2.gz APZLLJMNJYACEJ-LPHOPBHVSA-N -1 0 347.480 3.504 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000910240600 981807479 /nfs/dbraw/zinc/80/74/79/981807479.db2.gz BFTFJRJJQGGXKL-SMDDNHRTSA-N -1 0 343.345 3.870 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3ccc(F)cc3s2)[C@@H]2CCC[C@H]21 ZINC000910242735 981811521 /nfs/dbraw/zinc/81/15/21/981811521.db2.gz WNYWSDWQJNETRP-BFHYXJOUSA-N -1 0 347.411 3.756 20 0 EHADRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1coc2ccc(Cl)cc12 ZINC001594786419 981812730 /nfs/dbraw/zinc/81/27/30/981812730.db2.gz HIWIIQZBILWIRH-HNNXBMFYSA-N -1 0 343.766 3.512 20 0 EHADRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)[C@H]1CCC1(C)C ZINC000910252824 981827299 /nfs/dbraw/zinc/82/72/99/981827299.db2.gz KFKZTAUYCKEOTL-SNVBAGLBSA-N -1 0 340.217 3.830 20 0 EHADRM CCCC[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1Br ZINC001595631131 981832957 /nfs/dbraw/zinc/83/29/57/981832957.db2.gz CXIVILOUDKTCNE-SNVBAGLBSA-N -1 0 342.233 3.590 20 0 EHADRM CCCC[C@H](C)C(=O)Oc1ccc(Br)cc1C(=O)[O-] ZINC001595631197 981833953 /nfs/dbraw/zinc/83/39/53/981833953.db2.gz GYMQHWFQTNDWJC-VIFPVBQESA-N -1 0 329.190 3.879 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cccc2ccccc21 ZINC001594791243 981847864 /nfs/dbraw/zinc/84/78/64/981847864.db2.gz HKYLWFKALSQLHL-HXUWFJFHSA-N -1 0 325.408 3.945 20 0 EHADRM Cc1ccc(CCC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)s1 ZINC000910299114 981854111 /nfs/dbraw/zinc/85/41/11/981854111.db2.gz QDBCHOSIGWAYPV-JKSUJKDBSA-N -1 0 329.421 3.816 20 0 EHADRM CCCC[C@H](CC)CNC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001595632794 981860968 /nfs/dbraw/zinc/86/09/68/981860968.db2.gz QXNFVGRQIHTDHJ-OXJNMPFZSA-N -1 0 346.471 3.641 20 0 EHADRM C/C(=C\C1CCC(C)CC1)C(=O)Nc1c(C)nn(CCC(=O)[O-])c1C ZINC000910303251 981862321 /nfs/dbraw/zinc/86/23/21/981862321.db2.gz OKHCZJYGYBAJRO-ACCUITESSA-N -1 0 347.459 3.686 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(c2cc(C3CC3)nc(C3CC3)n2)C1 ZINC000910312973 981868733 /nfs/dbraw/zinc/86/87/33/981868733.db2.gz ARALLGXFNXNEBA-CQSZACIVSA-N -1 0 329.444 3.559 20 0 EHADRM CCC(C)(C)C1CCC2(C[C@H]2C(=O)N[C@H]2CC=C(C(=O)[O-])C2)CC1 ZINC001594796818 981881477 /nfs/dbraw/zinc/88/14/77/981881477.db2.gz MUSWQJQZHXFYLO-FZTQNYJHSA-N -1 0 333.472 3.909 20 0 EHADRM CCC(C)(C)CNC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001594801322 981896622 /nfs/dbraw/zinc/89/66/22/981896622.db2.gz KVIZYQZYFWKAHN-OAHLLOKOSA-N -1 0 332.444 3.540 20 0 EHADRM CCCC[C@@H](NC(=O)CCCc1ccc2ccccc2c1)C(=O)[O-] ZINC001595635219 981900134 /nfs/dbraw/zinc/90/01/34/981900134.db2.gz DEUXYGMFYLVHAV-GOSISDBHSA-N -1 0 327.424 3.922 20 0 EHADRM CCCC[C@@H](NC(=O)Cn1cc(C(=O)[O-])c2ccccc21)C1CCC1 ZINC001595635652 981906603 /nfs/dbraw/zinc/90/66/03/981906603.db2.gz DXPBESQKDSHSCG-QGZVFWFLSA-N -1 0 342.439 3.815 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)c1cc3ccc(F)cc3s1)CC2 ZINC000910390935 981913717 /nfs/dbraw/zinc/91/37/17/981913717.db2.gz GMEVDKYYXVDGRA-PBHICJAKSA-N -1 0 333.384 3.510 20 0 EHADRM CCCC[C@H](NC(=O)c1ccsc1-n1c(C)ccc1C)C(=O)[O-] ZINC001595637173 981927111 /nfs/dbraw/zinc/92/71/11/981927111.db2.gz VCOXBIHODXJEQO-AWEZNQCLSA-N -1 0 334.441 3.529 20 0 EHADRM CCC(C)(C)NC(=S)Nc1cccc(C(=O)[O-])c1Br ZINC001594809657 981928836 /nfs/dbraw/zinc/92/88/36/981928836.db2.gz LLRDFUKTBSOHOL-UHFFFAOYSA-N -1 0 345.262 3.622 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC001594816239 981950037 /nfs/dbraw/zinc/95/00/37/981950037.db2.gz BKBZTVGJSYXUMM-PLQHRBFRSA-N -1 0 341.810 3.732 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)CCOc1cc(Cl)ccc1Cl ZINC001594818689 981961515 /nfs/dbraw/zinc/96/15/15/981961515.db2.gz CRHMIILIXSNVAB-OAHLLOKOSA-N -1 0 348.226 3.522 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N[C@@H](C)c1cccc(SC(F)(F)F)c1 ZINC000910569222 981995798 /nfs/dbraw/zinc/99/57/98/981995798.db2.gz ORQUFZHRFQQIGU-BDAKNGLRSA-N -1 0 335.347 3.587 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)Cc1c[nH]c2cc(Cl)ccc12)C1CCCC1 ZINC000910570589 981996823 /nfs/dbraw/zinc/99/68/23/981996823.db2.gz YNJZAGOYGDQSCY-OAHLLOKOSA-N -1 0 348.830 3.514 20 0 EHADRM CCCC[C@@H](OC(=O)Cc1scnc1-c1ccccc1)C(=O)[O-] ZINC001595650416 982009001 /nfs/dbraw/zinc/00/90/01/982009001.db2.gz IBCKODXVICFDHY-CYBMUJFWSA-N -1 0 333.409 3.539 20 0 EHADRM CCCC[C@H](S[C@@H](C)C(=O)N1CCCc2ccccc21)C(=O)[O-] ZINC001595650972 982015431 /nfs/dbraw/zinc/01/54/31/982015431.db2.gz AORMPBFHKNKCCJ-BBRMVZONSA-N -1 0 335.469 3.731 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1C[C@@H]1c1sccc1C ZINC000910620520 982026320 /nfs/dbraw/zinc/02/63/20/982026320.db2.gz NKXYTZWTJDBWSZ-STQMWFEESA-N -1 0 345.420 3.896 20 0 EHADRM CCCC[C@H](S[C@@H](C)C(=O)N(C)Cc1ccccc1C)C(=O)[O-] ZINC001595652406 982034558 /nfs/dbraw/zinc/03/45/58/982034558.db2.gz TYXLFWXQFGLFTP-HOCLYGCPSA-N -1 0 337.485 3.719 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)/C=C/c2cc(C(=O)[O-])co2)c1C1CC1 ZINC000910649383 982041286 /nfs/dbraw/zinc/04/12/86/982041286.db2.gz VHUPJMPOLSVPKF-MLRMMBSGSA-N -1 0 343.383 3.675 20 0 EHADRM CCCC[C@H](SCC(=O)Nc1ccc(F)cc1Cl)C(=O)[O-] ZINC001595654897 982041382 /nfs/dbraw/zinc/04/13/82/982041382.db2.gz FXVYENMDLVJJCK-LBPRGKRZSA-N -1 0 333.812 3.794 20 0 EHADRM CCCCn1ncc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1C(C)C ZINC000910654883 982043317 /nfs/dbraw/zinc/04/33/17/982043317.db2.gz DMDPCHFEVPHYEJ-ZIAGYGMSSA-N -1 0 335.448 3.636 20 0 EHADRM CCCCn1ncc(NC(=O)c2ccc(C(=O)[O-])cc2)c1C(C)C ZINC000910655600 982043355 /nfs/dbraw/zinc/04/33/55/982043355.db2.gz FOPXFQFUZXSAEL-UHFFFAOYSA-N -1 0 329.400 3.757 20 0 EHADRM CCCc1c(NC(=O)C[C@H](C)CC(=O)[O-])cnn1-c1ccccc1C ZINC000910656854 982044692 /nfs/dbraw/zinc/04/46/92/982044692.db2.gz RKXMOKKTJLADRD-ZDUSSCGKSA-N -1 0 343.427 3.573 20 0 EHADRM CCCC[C@H](SCC(=O)N[C@@H](C)c1ccc(C)c(C)c1)C(=O)[O-] ZINC001595655612 982046224 /nfs/dbraw/zinc/04/62/24/982046224.db2.gz NAGUGBJPCKLVQN-HOCLYGCPSA-N -1 0 337.485 3.857 20 0 EHADRM CCCC[C@H](S[C@@H]1CCN(c2cccc(Cl)c2)C1=O)C(=O)[O-] ZINC001595656547 982053883 /nfs/dbraw/zinc/05/38/83/982053883.db2.gz ZUFRWEOIARUNOP-KGLIPLIRSA-N -1 0 341.860 3.822 20 0 EHADRM CC[C@@](C)(NC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O)C(=O)[O-] ZINC001594841564 982056544 /nfs/dbraw/zinc/05/65/44/982056544.db2.gz BBWWDJUXNDGADK-HXUWFJFHSA-N -1 0 349.471 3.970 20 0 EHADRM CCSCc1cccnc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000910683999 982060733 /nfs/dbraw/zinc/06/07/33/982060733.db2.gz LNWMLGIOPNBLHF-UHFFFAOYSA-N -1 0 344.436 3.604 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)[C@H](C)c2ccccc2)nc1C(=O)[O-] ZINC000910718213 982079784 /nfs/dbraw/zinc/07/97/84/982079784.db2.gz KJYXITUABNTISZ-BXUZGUMPSA-N -1 0 344.436 3.617 20 0 EHADRM CCCCCC(C)(C)C(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)[O-] ZINC001595662617 982079876 /nfs/dbraw/zinc/07/98/76/982079876.db2.gz GXPKJOXTPLQOKC-QGZVFWFLSA-N -1 0 333.472 3.961 20 0 EHADRM CCCCSCCC(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910730368 982093305 /nfs/dbraw/zinc/09/33/05/982093305.db2.gz APZKHMQQLDOSPY-UHFFFAOYSA-N -1 0 328.459 3.581 20 0 EHADRM Cc1ccccc1SCC(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910735481 982098141 /nfs/dbraw/zinc/09/81/41/982098141.db2.gz KRCCSJVMIVQHNJ-UHFFFAOYSA-N -1 0 348.449 3.758 20 0 EHADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)c3cc4sc5ccccc5c4s3)C[C@@H]21 ZINC000910794133 982119735 /nfs/dbraw/zinc/11/97/35/982119735.db2.gz CWUZNKRCVFZFSC-MSRIBSCDSA-N -1 0 343.429 3.519 20 0 EHADRM CCCCC[C@@H](NC(=O)C1(Cc2ccccc2Cl)CC1)C(=O)[O-] ZINC001595670687 982120148 /nfs/dbraw/zinc/12/01/48/982120148.db2.gz UAPGEKRMWFVRAT-OAHLLOKOSA-N -1 0 337.847 3.812 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)NCCC1(c2ccccc2)CC1 ZINC000910805052 982126076 /nfs/dbraw/zinc/12/60/76/982126076.db2.gz MBURWMQYYWMJDY-UHFFFAOYSA-N -1 0 337.419 3.556 20 0 EHADRM O=C([O-])CC1CC(NC(=O)c2ccccc2Sc2ccccc2)C1 ZINC000910810577 982131188 /nfs/dbraw/zinc/13/11/88/982131188.db2.gz VMDJSEJSDZFXHR-UHFFFAOYSA-N -1 0 341.432 3.821 20 0 EHADRM CCCCC[C@@H](NC(=O)C[C@@H](C)c1c[nH]c2ccccc21)C(=O)[O-] ZINC001595673211 982139351 /nfs/dbraw/zinc/13/93/51/982139351.db2.gz WEGLYCLKGGVEAD-CXAGYDPISA-N -1 0 330.428 3.811 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000910863369 982152423 /nfs/dbraw/zinc/15/24/23/982152423.db2.gz SQRBPPAUYQPJPK-GHMZBOCLSA-N -1 0 341.860 3.635 20 0 EHADRM CC[C@@H]1C[C@@H](CC(=O)Nc2ccc(SC)c(C(=O)[O-])c2)CCO1 ZINC000910947284 982171697 /nfs/dbraw/zinc/17/16/97/982171697.db2.gz BRPHGQZLQCRZFG-WCQYABFASA-N -1 0 337.441 3.641 20 0 EHADRM O=C([O-])c1ccc2[nH]cc(C3CCN(C(=O)C=C4CCC4)CC3)c2c1 ZINC000910951667 982174430 /nfs/dbraw/zinc/17/44/30/982174430.db2.gz KTSBVHCDZXKFAR-UHFFFAOYSA-N -1 0 338.407 3.682 20 0 EHADRM CC[C@@H](C)[C@@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC001594866624 982176718 /nfs/dbraw/zinc/17/67/18/982176718.db2.gz SOJXXEOAKZHKQN-RDTXWAMCSA-N -1 0 340.423 3.568 20 0 EHADRM CC[C@H](C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)c1ccccc1 ZINC001594867097 982178702 /nfs/dbraw/zinc/17/87/02/982178702.db2.gz WAMZBWJUSJNGPZ-VERUCKTNSA-N -1 0 329.440 3.530 20 0 EHADRM CC1(C(=O)N2CC[C@H](c3ncc(C(=O)[O-])s3)C2)CCCCCC1 ZINC000911036077 982201748 /nfs/dbraw/zinc/20/17/48/982201748.db2.gz LGSZVMSYPFILDP-LBPRGKRZSA-N -1 0 336.457 3.518 20 0 EHADRM CCCC[C@H](C(=O)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1)C(C)C ZINC000911046488 982211719 /nfs/dbraw/zinc/21/17/19/982211719.db2.gz OTRRLZBQLZKNLA-STQMWFEESA-N -1 0 338.473 3.620 20 0 EHADRM CCCCCC[C@@H](C)C(=O)Nc1nc(COC)c(C(=O)[O-])s1 ZINC001595694848 982214210 /nfs/dbraw/zinc/21/42/10/982214210.db2.gz IPHTWMCFNOFLKW-SNVBAGLBSA-N -1 0 328.434 3.533 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)CCc1ccc(F)c2ccccc12)C(=O)[O-] ZINC001594887780 982275633 /nfs/dbraw/zinc/27/56/33/982275633.db2.gz VAGOPPPNKLLVSP-KPZWWZAWSA-N -1 0 331.387 3.527 20 0 EHADRM CCCCCCOc1cc(C)ccc1CNC(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001595710045 982292786 /nfs/dbraw/zinc/29/27/86/982292786.db2.gz AHDRCEOZXHJSCE-CALCHBBNSA-N -1 0 347.455 3.681 20 0 EHADRM CC[C@H](NC(=O)CC(C)(C)CC(=O)[O-])c1nc(-c2ccccc2)c[nH]1 ZINC000911262380 982320218 /nfs/dbraw/zinc/32/02/18/982320218.db2.gz FFRZIKWSFWTFKC-AWEZNQCLSA-N -1 0 343.427 3.535 20 0 EHADRM CCCCCOc1ccc(C(=O)N(CC(=O)[O-])C2CCCC2)cc1 ZINC001595722313 982340823 /nfs/dbraw/zinc/34/08/23/982340823.db2.gz ZKBRFGRVKBOFQP-UHFFFAOYSA-N -1 0 333.428 3.725 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2c(F)cccc2N2CCCC2)CCCC1 ZINC000911327043 982351957 /nfs/dbraw/zinc/35/19/57/982351957.db2.gz ITBJXAFMLOONNL-UHFFFAOYSA-N -1 0 348.418 3.790 20 0 EHADRM O=C([O-])CCCC(=O)Nc1cccc(CC[C@@H](O)c2ccccc2)c1 ZINC000911341008 982367404 /nfs/dbraw/zinc/36/74/04/982367404.db2.gz HGTKUAAWEYAYHC-GOSISDBHSA-N -1 0 341.407 3.546 20 0 EHADRM CCCCN(C(=O)Nc1c(C(=O)[O-])cnn1C)[C@H](C)c1ccccc1 ZINC001595732409 982368496 /nfs/dbraw/zinc/36/84/96/982368496.db2.gz YFYQQSHCXBOPBE-CYBMUJFWSA-N -1 0 344.415 3.514 20 0 EHADRM CCCCN(C(=O)c1ccc(OCC(=O)[O-])cc1)[C@H]1CCC[C@H](C)C1 ZINC001595735523 982378829 /nfs/dbraw/zinc/37/88/29/982378829.db2.gz HJWHPHHMBXXIDJ-RDJZCZTQSA-N -1 0 347.455 3.971 20 0 EHADRM Cc1nc(-c2ccccc2NC(=O)CC(C)(C)CC(=O)[O-])cs1 ZINC000911374046 982391132 /nfs/dbraw/zinc/39/11/32/982391132.db2.gz LRJYIQYZVMRQKB-UHFFFAOYSA-N -1 0 332.425 3.948 20 0 EHADRM CCCCN(C)c1ccc(C(=O)Nc2ccc(C(=O)[O-])c(O)c2)cc1 ZINC001595740746 982398244 /nfs/dbraw/zinc/39/82/44/982398244.db2.gz ZGEFENSHLGVHIG-UHFFFAOYSA-N -1 0 342.395 3.579 20 0 EHADRM CCCCN(C)c1ccc(NC(=O)NCc2ccoc2C(=O)[O-])cc1 ZINC001595741438 982402431 /nfs/dbraw/zinc/40/24/31/982402431.db2.gz MCZZTPVFHKIJLZ-UHFFFAOYSA-N -1 0 345.399 3.536 20 0 EHADRM O=C([O-])CC1(CC(=O)N[C@H](c2ccccc2)C(F)F)CCCC1 ZINC000911391968 982414755 /nfs/dbraw/zinc/41/47/55/982414755.db2.gz ZAYVDLHBIZJSFX-OAHLLOKOSA-N -1 0 325.355 3.534 20 0 EHADRM CCCCN(Cc1ccccc1F)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001595748058 982417449 /nfs/dbraw/zinc/41/74/49/982417449.db2.gz QWRWUSGYUPDQGV-UHFFFAOYSA-N -1 0 345.374 3.753 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)c1cccc2c1ccn2CC(C)C)C(=O)[O-] ZINC001594912406 982422835 /nfs/dbraw/zinc/42/28/35/982422835.db2.gz KFAWMIGWOBYALO-DYVFJYSZSA-N -1 0 330.428 3.526 20 0 EHADRM Cc1cccc([C@@H](C)CNC(=O)CCc2ccccc2C(=O)[O-])c1 ZINC000911430054 982429839 /nfs/dbraw/zinc/42/98/39/982429839.db2.gz ZJCJSWDJRUXZPN-HNNXBMFYSA-N -1 0 325.408 3.546 20 0 EHADRM CCCCN1CCc2ccc(NC(=O)c3ccc(C(=O)[O-])s3)cc21 ZINC001595750889 982431844 /nfs/dbraw/zinc/43/18/44/982431844.db2.gz JHNFYNPUDVPNDP-UHFFFAOYSA-N -1 0 344.436 3.861 20 0 EHADRM CCNc1cc(C)ccc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000911455063 982439050 /nfs/dbraw/zinc/43/90/50/982439050.db2.gz VLBGLSMKGDFUTR-UHFFFAOYSA-N -1 0 326.396 3.696 20 0 EHADRM COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)CC(C)(C)CC(=O)[O-] ZINC000911573944 982511701 /nfs/dbraw/zinc/51/17/01/982511701.db2.gz SUTRMHPRYPCJMY-ZBFHGGJFSA-N -1 0 347.455 3.886 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N2CCC(CC(F)(F)F)CC2)c1 ZINC000911583822 982514979 /nfs/dbraw/zinc/51/49/79/982514979.db2.gz LFOFZYPECQOTSB-UHFFFAOYSA-N -1 0 349.736 3.843 20 0 EHADRM CC(C)(C)CCC(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000911600628 982534737 /nfs/dbraw/zinc/53/47/37/982534737.db2.gz KNISZRCFNWWQKI-UHFFFAOYSA-N -1 0 332.444 3.614 20 0 EHADRM CC[C@H](C)[C@@H](Sc1nnc(NCc2ccccc2)s1)C(=O)[O-] ZINC001594928502 982538706 /nfs/dbraw/zinc/53/87/06/982538706.db2.gz JIHRHSWLTGWXML-CMPLNLGQSA-N -1 0 337.470 3.742 20 0 EHADRM CCCc1cc(C(=O)N[C@](C)(CC(=O)[O-])c2ccncc2)sc1C ZINC000911616698 982551732 /nfs/dbraw/zinc/55/17/32/982551732.db2.gz HLJSDIZWPVQFRB-GOSISDBHSA-N -1 0 346.452 3.524 20 0 EHADRM CC[C@H](C)C[C@@H](C)NC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001594933853 982573668 /nfs/dbraw/zinc/57/36/68/982573668.db2.gz AMGWUMQIWKCEIW-VHSXEESVSA-N -1 0 342.233 3.702 20 0 EHADRM CCCCSCC(=O)Nc1c2ccc(C)nc2sc1C(=O)[O-] ZINC001595788834 982585707 /nfs/dbraw/zinc/58/57/07/982585707.db2.gz CFQVAAOBVJDGNV-UHFFFAOYSA-N -1 0 338.454 3.775 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCCCCc1cccs1)c1ccncc1 ZINC000911658166 982587037 /nfs/dbraw/zinc/58/70/37/982587037.db2.gz JYLUUFOXLAUMBV-MRXNPFEDSA-N -1 0 346.452 3.578 20 0 EHADRM CCCCc1ccc(C(=O)Nc2nc(CC)c(C(=O)[O-])s2)cc1 ZINC001595793878 982597016 /nfs/dbraw/zinc/59/70/16/982597016.db2.gz ROFRJVVJWARUQC-UHFFFAOYSA-N -1 0 332.425 3.999 20 0 EHADRM C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000911675278 982599410 /nfs/dbraw/zinc/59/94/10/982599410.db2.gz AUAQOAVGLTXWJK-GZMMTYOYSA-N -1 0 349.736 3.841 20 0 EHADRM CCCCc1ccc(N(C)C(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC001595796133 982600455 /nfs/dbraw/zinc/60/04/55/982600455.db2.gz HEZLIXXNCRVILZ-UHFFFAOYSA-N -1 0 325.408 3.933 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)[C@@H](C)Sc1ccccc1Cl)C(=O)[O-] ZINC001594937536 982600657 /nfs/dbraw/zinc/60/06/57/982600657.db2.gz WDOXXAPDVDRFSO-DMDPSCGWSA-N -1 0 343.876 3.826 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)/C=C\c1csc(C(F)(F)F)c1)C(=O)[O-] ZINC001594937914 982603351 /nfs/dbraw/zinc/60/33/51/982603351.db2.gz AUTPFQZEQXWSDO-WOMWGJRJSA-N -1 0 349.374 3.786 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)Cc1ccccc1OC1CCCC1)C(=O)[O-] ZINC001594941771 982614850 /nfs/dbraw/zinc/61/48/50/982614850.db2.gz CEROHDMJBAQRBG-WMLDXEAASA-N -1 0 347.455 3.556 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC001594942414 982619277 /nfs/dbraw/zinc/61/92/77/982619277.db2.gz POBBUYVRAPZQPJ-DNVCBOLYSA-N -1 0 339.435 3.902 20 0 EHADRM Cc1csc(CCC(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)n1 ZINC000911738201 982620874 /nfs/dbraw/zinc/62/08/74/982620874.db2.gz PROBFJFYLLRINY-UHFFFAOYSA-N -1 0 348.424 3.508 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)c1ccc(OC(F)(F)F)c(C)c1)C(=O)[O-] ZINC001594945323 982632719 /nfs/dbraw/zinc/63/27/19/982632719.db2.gz BBOAGRFIWBUNDV-JOYOIKCWSA-N -1 0 347.333 3.513 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)c1cncc(-c2ccc(C)cc2)c1)C(=O)[O-] ZINC001594950018 982656181 /nfs/dbraw/zinc/65/61/81/982656181.db2.gz QGDOCGQWVQJUEV-SCLBCKFNSA-N -1 0 340.423 3.676 20 0 EHADRM CCCN(C(=O)CCSc1ccc(Cl)cc1)[C@@H](C)C(=O)[O-] ZINC001595815588 982665681 /nfs/dbraw/zinc/66/56/81/982665681.db2.gz AKEVQAJYLQWIFT-NSHDSACASA-N -1 0 329.849 3.534 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(COc3ccccc3)c2)cn1 ZINC000917854076 982682455 /nfs/dbraw/zinc/68/24/55/982682455.db2.gz BWCXZYUYYINRIF-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM CCCN(C(=O)Cc1csc2sc(C)cc12)[C@@H](C)C(=O)[O-] ZINC001595820633 982686616 /nfs/dbraw/zinc/68/66/16/982686616.db2.gz HXCLHTXSGWKAFW-JTQLQIEISA-N -1 0 325.455 3.525 20 0 EHADRM CC[C@H](C)CCC(=O)Oc1ccc(Br)cc1C(=O)[O-] ZINC001594958021 982693921 /nfs/dbraw/zinc/69/39/21/982693921.db2.gz OYJLECRSOLRZHE-VIFPVBQESA-N -1 0 329.190 3.879 20 0 EHADRM Cc1ccc(NC(=O)C[C@H]2CCC[C@H](C(F)(F)F)O2)cc1C(=O)[O-] ZINC000923063192 982702364 /nfs/dbraw/zinc/70/23/64/982702364.db2.gz CWMBLPIRDUVHLJ-DGCLKSJQSA-N -1 0 345.317 3.522 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)Cc1ccccc1OC(C)C ZINC000923089148 982715963 /nfs/dbraw/zinc/71/59/63/982715963.db2.gz CDHMZMKMRPESKA-UHFFFAOYSA-N -1 0 333.409 3.723 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)[C@@H]1CCCc2c(O)cccc21 ZINC000923093423 982717943 /nfs/dbraw/zinc/71/79/43/982717943.db2.gz BFXFQTWPWCSIPM-GFCCVEGCSA-N -1 0 331.393 3.519 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)c1ccc2c(c1)CCCCC2=O ZINC000923094931 982719651 /nfs/dbraw/zinc/71/96/51/982719651.db2.gz MMNYYMKDKHLPRN-UHFFFAOYSA-N -1 0 343.404 3.916 20 0 EHADRM CC(C)[C@@H]1C[C@@H](C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CCO1 ZINC000923105323 982727791 /nfs/dbraw/zinc/72/77/91/982727791.db2.gz RFVZSNPEHBJMMD-UGSOOPFHSA-N -1 0 341.407 3.928 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@@H](C)Oc1ccc(C(C)C)c(C)c1 ZINC001594967813 982731244 /nfs/dbraw/zinc/73/12/44/982731244.db2.gz CADZDWUAOYSLMI-LSDHHAIUSA-N -1 0 335.444 3.597 20 0 EHADRM O=C([O-])c1ccccc1CCNC(=O)CCCc1ccc(Cl)cc1 ZINC000923122318 982741328 /nfs/dbraw/zinc/74/13/28/982741328.db2.gz PHLLLNBAIAHZHB-UHFFFAOYSA-N -1 0 345.826 3.720 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)Cc1ccc(C2CCCCC2)cc1 ZINC001594974630 982745980 /nfs/dbraw/zinc/74/59/80/982745980.db2.gz JBVTZCUZOBYZNW-OAHLLOKOSA-N -1 0 331.456 3.989 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)C[C@H]1CCc2ccccc21 ZINC000655050643 1014881470 /nfs/dbraw/zinc/88/14/70/1014881470.db2.gz VFMCNUFZIRXBQI-CQSZACIVSA-N -1 0 348.406 3.544 20 0 EHADRM CSc1ccsc1C(=O)NC[C@H](C(=O)[O-])C1CCCCCC1 ZINC000923175170 982825706 /nfs/dbraw/zinc/82/57/06/982825706.db2.gz HOUOOBSAUATHJO-LBPRGKRZSA-N -1 0 341.498 3.871 20 0 EHADRM O=C([O-])CCC1(NC(=O)c2cccc3cnccc32)CCCCC1 ZINC000923210933 982841546 /nfs/dbraw/zinc/84/15/46/982841546.db2.gz ABRSLLBHZSLVTB-UHFFFAOYSA-N -1 0 326.396 3.532 20 0 EHADRM O=C([O-])CCC1(NC(=O)CCc2ccc3[nH]ccc3c2)CCCCC1 ZINC000923213016 982844006 /nfs/dbraw/zinc/84/40/06/982844006.db2.gz DPQGGIRBAYHLHQ-UHFFFAOYSA-N -1 0 342.439 3.784 20 0 EHADRM CCCN(CC)c1ccc(C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])cc1 ZINC001595869500 982849214 /nfs/dbraw/zinc/84/92/14/982849214.db2.gz ZOCREVVEGBJLHH-INIZCTEOSA-N -1 0 334.460 3.542 20 0 EHADRM CCCCCCC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000120276137 1014886962 /nfs/dbraw/zinc/88/69/62/1014886962.db2.gz OOXCMQYWGPUSNK-UHFFFAOYSA-N -1 0 338.256 3.769 20 0 EHADRM CC[C@@H](C)Sc1ccc(NC(=O)NOCCCC(=O)[O-])c(C)c1 ZINC001595003356 982914847 /nfs/dbraw/zinc/91/48/47/982914847.db2.gz CHUJKDKSHBNJPC-GFCCVEGCSA-N -1 0 340.445 3.804 20 0 EHADRM CCCN(Cc1ccc(F)cc1)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001595887642 982915095 /nfs/dbraw/zinc/91/50/95/982915095.db2.gz AETPJYIPKVQZHM-NTMALXAHSA-N -1 0 331.343 3.569 20 0 EHADRM CCCN(Cc1ccc(F)cc1)Cn1nc(C(=O)[O-])c(Cl)c1C ZINC001595887711 982915229 /nfs/dbraw/zinc/91/52/29/982915229.db2.gz CCGRTYMDLWDUDF-UHFFFAOYSA-N -1 0 339.798 3.552 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-] ZINC001595005714 982920702 /nfs/dbraw/zinc/92/07/02/982920702.db2.gz QWFRAHVNIWHBHF-FCBZUWDESA-N -1 0 347.455 3.883 20 0 EHADRM CCCN(Cc1ccoc1C(=O)[O-])[C@H](C)C(=O)Nc1ccccc1C ZINC001595891249 982925535 /nfs/dbraw/zinc/92/55/35/982925535.db2.gz QBTGZYYHDYEXJN-CQSZACIVSA-N -1 0 344.411 3.525 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2CCCc3ccccc32)cc1 ZINC001116300037 982926439 /nfs/dbraw/zinc/92/64/39/982926439.db2.gz GVTMUSHRPRXEKW-RTBURBONSA-N -1 0 337.419 3.747 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)CC(C)(C)c2ccccc2)cc1 ZINC001116300089 982926509 /nfs/dbraw/zinc/92/65/09/982926509.db2.gz HTPXSBIINRTCOQ-GOSISDBHSA-N -1 0 339.435 3.995 20 0 EHADRM CC[C@@H](C)c1ccc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)[O-])cc1 ZINC001595009293 982933798 /nfs/dbraw/zinc/93/37/98/982933798.db2.gz HEBCBOVUZGONAL-FZKQIMNGSA-N -1 0 343.398 3.765 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(Cl)c(F)c2)cc1 ZINC001116768498 982934084 /nfs/dbraw/zinc/93/40/84/982934084.db2.gz NXAXZVURZVDYBY-OAHLLOKOSA-N -1 0 335.762 3.733 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)NC2(CC(=O)[O-])CCCCC2)n1 ZINC001595009737 982936262 /nfs/dbraw/zinc/93/62/62/982936262.db2.gz XTZFDOKMRZSCLO-ZDUSSCGKSA-N -1 0 349.431 3.558 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C[C@H]1C=CCC1)c1ccc(C(F)(F)F)cc1 ZINC001120312407 983026970 /nfs/dbraw/zinc/02/69/70/983026970.db2.gz ZEKDMMANIMRLSI-FZMZJTMJSA-N -1 0 341.329 3.694 20 0 EHADRM CC1(C)CCC[N@H+](Cc2cc(C(=O)[O-])ccc2Br)C1 ZINC001120361749 983027236 /nfs/dbraw/zinc/02/72/36/983027236.db2.gz BYEYSYYNJNABFR-UHFFFAOYSA-N -1 0 326.234 3.769 20 0 EHADRM C[C@](NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12)(C(=O)[O-])c1ccccc1 ZINC001573611901 983068643 /nfs/dbraw/zinc/06/86/43/983068643.db2.gz VFTLOQMVWTYGTK-CNVJLJKISA-N -1 0 329.440 3.709 20 0 EHADRM CCCOc1ccc(CCC(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)cc1 ZINC001595954387 983136947 /nfs/dbraw/zinc/13/69/47/983136947.db2.gz IXRDTYQDFQTENT-SGNKCFNYSA-N -1 0 347.455 3.558 20 0 EHADRM CCCOc1ccc(NCc2ccccc2OCC(=O)[O-])cc1F ZINC001595966111 983170613 /nfs/dbraw/zinc/17/06/13/983170613.db2.gz CTCXEMOPRPOFRA-UHFFFAOYSA-N -1 0 333.359 3.690 20 0 EHADRM CCCOc1cccc(C(=O)Nc2c(F)ccc(F)c2C(=O)[O-])c1 ZINC001595967251 983177670 /nfs/dbraw/zinc/17/76/70/983177670.db2.gz IEDSMBCMWQZKPA-UHFFFAOYSA-N -1 0 335.306 3.704 20 0 EHADRM CCC[C@H](NC(=O)[C@H](CC)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001596010967 983271610 /nfs/dbraw/zinc/27/16/10/983271610.db2.gz IWDWEAGAIJFAET-OCCSQVGLSA-N -1 0 345.361 3.644 20 0 EHADRM CCCc1c(C(=O)N[C@H]2CCc3cc(F)ccc32)[nH]c(C)c1C(=O)[O-] ZINC001596037705 983322881 /nfs/dbraw/zinc/32/28/81/983322881.db2.gz UHPKXTVDCMASTR-HNNXBMFYSA-N -1 0 344.386 3.530 20 0 EHADRM CCCc1cc(C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)ccc1Cl ZINC001596054774 983356563 /nfs/dbraw/zinc/35/65/63/983356563.db2.gz AHXRMSZCEGGTRY-MRXNPFEDSA-N -1 0 345.826 3.891 20 0 EHADRM CCCc1cc(C(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)no1 ZINC001596055606 983358865 /nfs/dbraw/zinc/35/88/65/983358865.db2.gz TVMZUEXCSLRERS-CQSZACIVSA-N -1 0 336.432 3.561 20 0 EHADRM CCCc1ccc(CCCC(=O)Nc2ccc(C(=O)[O-])cn2)cc1 ZINC001596063153 983374303 /nfs/dbraw/zinc/37/43/03/983374303.db2.gz SIOOMAPAAGBTDV-UHFFFAOYSA-N -1 0 326.396 3.694 20 0 EHADRM CCCc1occc1C(=O)Oc1cc(/C=C/C(=O)[O-])ccc1OC ZINC001596102673 983428406 /nfs/dbraw/zinc/42/84/06/983428406.db2.gz NUKBBDCPQDRCFF-SOFGYWHQSA-N -1 0 330.336 3.558 20 0 EHADRM CCCn1c2ccccc2c2nnc(SCC(C)(C)C(=O)[O-])nc21 ZINC001596111194 983438192 /nfs/dbraw/zinc/43/81/92/983438192.db2.gz JQICDZXXFLOOFA-UHFFFAOYSA-N -1 0 344.440 3.592 20 0 EHADRM CCCn1cc(N[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)cn1 ZINC001596115892 983445965 /nfs/dbraw/zinc/44/59/65/983445965.db2.gz MIPQUNSBKBGWLK-ZDUSSCGKSA-N -1 0 328.199 3.838 20 0 EHADRM CCCn1ncc(NCc2ccc(O[C@@H](C)C(=O)[O-])cc2)c1C1CC1 ZINC001596120556 983455050 /nfs/dbraw/zinc/45/50/50/983455050.db2.gz PMUKLEZFFQWYMH-ZDUSSCGKSA-N -1 0 343.427 3.635 20 0 EHADRM CCN(C(=O)[C@@H](C)CC(=O)[O-])[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001596126666 983466080 /nfs/dbraw/zinc/46/60/80/983466080.db2.gz DUPZWZGFILFVOJ-RYUDHWBXSA-N -1 0 345.361 3.596 20 0 EHADRM CCN(C(=O)/C=C\c1ccc(C(=O)[O-])o1)c1nc2ccccc2s1 ZINC001596136770 983484756 /nfs/dbraw/zinc/48/47/56/983484756.db2.gz FHSZNQDPCKOJNW-NTMALXAHSA-N -1 0 342.376 3.654 20 0 EHADRM CCN(C(=O)CCCOc1ccc(C)cc1Cl)C(C)(C)C(=O)[O-] ZINC001596137505 983486726 /nfs/dbraw/zinc/48/67/26/983486726.db2.gz MQPXHJYMWRXPNS-UHFFFAOYSA-N -1 0 341.835 3.519 20 0 EHADRM CCN(CC1CC1)C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001596294415 983716224 /nfs/dbraw/zinc/71/62/24/983716224.db2.gz YPKYFQCTDFTBQB-UHFFFAOYSA-N -1 0 345.443 3.639 20 0 EHADRM CCN(CCOc1ccccc1C)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001596346027 983795281 /nfs/dbraw/zinc/79/52/81/983795281.db2.gz YLZZYNWZPFCPOB-UHFFFAOYSA-N -1 0 347.455 3.648 20 0 EHADRM CCN(CCc1cccs1)c1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001596352226 983810888 /nfs/dbraw/zinc/81/08/88/983810888.db2.gz OKNCIYGOIXCNFW-UHFFFAOYSA-N -1 0 344.358 3.929 20 0 EHADRM CCNc1nnc(S[C@H](C(=O)[O-])c2ccccc2Cl)s1 ZINC001596509137 984268661 /nfs/dbraw/zinc/26/86/61/984268661.db2.gz BENXZGYYIMWVQL-VIFPVBQESA-N -1 0 329.834 3.541 20 0 EHADRM O=S(=O)([N-]c1ccnn1C1CCCC1)c1ccc(Cl)s1 ZINC000066248797 1015030977 /nfs/dbraw/zinc/03/09/77/1015030977.db2.gz KOHSEHPJUHNKHS-UHFFFAOYSA-N -1 0 331.850 3.514 20 0 EHADRM CCOC(=O)[C@@H]1CC[C@H](Nc2ccc3c(C(=O)[O-])c[nH]c3c2)C[C@@H]1C ZINC001596569258 984458613 /nfs/dbraw/zinc/45/86/13/984458613.db2.gz AKTNJKLVAPOFAC-SGMGOOAPSA-N -1 0 344.411 3.646 20 0 EHADRM C=Cc1ccc(C(=O)N(C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1 ZINC001588919847 984574628 /nfs/dbraw/zinc/57/46/28/984574628.db2.gz RUGFMSSGNWXFKV-INIZCTEOSA-N -1 0 349.308 3.645 20 0 EHADRM C=Cc1ccc(CCNC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cc1 ZINC001588921237 984578845 /nfs/dbraw/zinc/57/88/45/984578845.db2.gz CRDSGRRHGZOINY-CQSZACIVSA-N -1 0 338.407 3.882 20 0 EHADRM C/C(=C\C(=O)N(CC(=O)[O-])C1CCCCC1)c1cccc(Cl)c1 ZINC001588933491 984612622 /nfs/dbraw/zinc/61/26/22/984612622.db2.gz UMDHGGRFYGYQFV-JLHYYAGUSA-N -1 0 335.831 3.989 20 0 EHADRM C/C(=C/C(=O)N1CCCc2ccc(C(=O)[O-])cc21)c1cccc(F)c1 ZINC001588937914 984620269 /nfs/dbraw/zinc/62/02/69/984620269.db2.gz YIBAVQLWBZOQSX-RAXLEYEMSA-N -1 0 339.366 3.907 20 0 EHADRM C/C(=C\C(=O)N[C@@H](C(=O)[O-])c1cc(C)cc(C)c1)c1cccc(F)c1 ZINC001588938477 984621942 /nfs/dbraw/zinc/62/19/42/984621942.db2.gz BUMKMOOQEKUJFW-NRJHKNTJSA-N -1 0 341.382 3.788 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cccc2ccccc21 ZINC001599888213 984662144 /nfs/dbraw/zinc/66/21/44/984662144.db2.gz FPADSRMICSYBDD-OAHLLOKOSA-N -1 0 333.387 3.955 20 0 EHADRM C/C(=C\C(=O)[O-])COc1ccc(Br)cc1C(F)(F)F ZINC001588952880 984689494 /nfs/dbraw/zinc/68/94/94/984689494.db2.gz VKCATGSJNATMST-QPJJXVBHSA-N -1 0 339.107 3.878 20 0 EHADRM C/C(=C\C1CCC(C)CC1)C(=O)N1CCCc2nc(C(=O)[O-])ccc21 ZINC001588956163 984701242 /nfs/dbraw/zinc/70/12/42/984701242.db2.gz HUKGAHXQDPCQMK-WYMLVPIESA-N -1 0 342.439 3.832 20 0 EHADRM C[C@H](c1ccc(F)cc1F)n1cc(C2CCC(C(=O)[O-])CC2)nn1 ZINC001599905267 984913464 /nfs/dbraw/zinc/91/34/64/984913464.db2.gz DITOECOEGWCCBF-VOMCLLRMSA-N -1 0 335.354 3.524 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)Nc1cc(CCC(=O)[O-])ccc1O ZINC001588998358 984935000 /nfs/dbraw/zinc/93/50/00/984935000.db2.gz JSLPXAXHYLCCHL-SDNWHVSQSA-N -1 0 339.391 3.760 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)C[C@@H]2CCC[C@@H](C(F)(F)F)C2)(C(=O)[O-])CC1 ZINC001599908232 984950334 /nfs/dbraw/zinc/95/03/34/984950334.db2.gz PVGAXWZAFUXGOO-BRXULGCHSA-N -1 0 349.393 3.895 20 0 EHADRM CCOC(=O)c1ccc(/C=C(/C(=O)[O-])c2nc(C(C)(C)C)cs2)o1 ZINC001596720135 984961624 /nfs/dbraw/zinc/96/16/24/984961624.db2.gz CAOUWJUYYRRASF-DHZHZOJOSA-N -1 0 349.408 3.836 20 0 EHADRM C/C(=C\c1cccnc1)C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC001589010229 984975998 /nfs/dbraw/zinc/97/59/98/984975998.db2.gz GHUPNDLIAAPHPX-CSKARUKUSA-N -1 0 345.424 3.576 20 0 EHADRM C/C(=C\c1ccco1)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC001589011087 984986537 /nfs/dbraw/zinc/98/65/37/984986537.db2.gz VCEBAPWMIJMPQP-GDXASINISA-N -1 0 333.771 3.669 20 0 EHADRM CC(=O)CCC(C)(C)C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001589034485 985070658 /nfs/dbraw/zinc/07/06/58/985070658.db2.gz DIXFBCOYDKDXGE-UHFFFAOYSA-N -1 0 329.755 3.511 20 0 EHADRM CC(=O)N(c1ccc(N[C@H](C(=O)[O-])c2ccccc2C)cc1)C1CC1 ZINC001589052404 985147633 /nfs/dbraw/zinc/14/76/33/985147633.db2.gz ZZBKRPZFOQQYGH-IBGZPJMESA-N -1 0 338.407 3.748 20 0 EHADRM CCO[C@H](C)C(=O)Nc1sc(C2CCCCC2)cc1C(=O)[O-] ZINC001596772594 985195378 /nfs/dbraw/zinc/19/53/78/985195378.db2.gz NZBQVXBMUWBUFB-SNVBAGLBSA-N -1 0 325.430 3.858 20 0 EHADRM C[C@H]1CN(C(=S)Nc2cc(Cl)cc(Cl)c2)CC[C@H]1C(=O)[O-] ZINC001599927499 985228608 /nfs/dbraw/zinc/22/86/08/985228608.db2.gz WTLDQEHDUOCNOO-QPUJVOFHSA-N -1 0 347.267 3.733 20 0 EHADRM CCO[C@@H](CCNC(=O)Nc1cc(C)cc(C(=O)[O-])c1)C1CCCC1 ZINC001596784800 985252984 /nfs/dbraw/zinc/25/29/84/985252984.db2.gz ZOQNAFZSNSYMRE-KRWDZBQOSA-N -1 0 348.443 3.800 20 0 EHADRM CCO[C@@H](c1noc(-c2cc(C)cc(C(=O)[O-])c2)n1)c1ccccc1 ZINC001596789957 985261515 /nfs/dbraw/zinc/26/15/15/985261515.db2.gz IZTBJALBPRYHDN-MRXNPFEDSA-N -1 0 338.363 3.869 20 0 EHADRM C[C@H]1Cc2ccccc2N(C(=O)C2[C@@H]3CCCCCC[C@@H]23)[C@H]1C(=O)[O-] ZINC001599937027 985408341 /nfs/dbraw/zinc/40/83/41/985408341.db2.gz IMBZOTFWRTXZAU-GKDNMFGBSA-N -1 0 341.451 3.881 20 0 EHADRM C[C@]1(c2ccccc2)C[C@H]1C(=O)Nc1cccc(C(=O)[O-])c1Cl ZINC001599938444 985425437 /nfs/dbraw/zinc/42/54/37/985425437.db2.gz HNQOMFAQSLKDCW-SCLBCKFNSA-N -1 0 329.783 3.955 20 0 EHADRM CCO[C@@H]1C[C@H](NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)C1(CC)CC ZINC001596825266 985431617 /nfs/dbraw/zinc/43/16/17/985431617.db2.gz ZXBMUVPGUFYQKG-JKSUJKDBSA-N -1 0 348.443 3.799 20 0 EHADRM CC(=O)Nc1ccc(Oc2ncc(C(=O)[O-])cc2C(F)(F)F)cc1 ZINC001589199867 985640717 /nfs/dbraw/zinc/64/07/17/985640717.db2.gz JADACICGQJZCGL-UHFFFAOYSA-N -1 0 340.257 3.549 20 0 EHADRM Cc1[nH]c(C(=O)NC[C@H]2CCC[C@H]2c2ccccc2)c(C)c1C(=O)[O-] ZINC001599953221 985645599 /nfs/dbraw/zinc/64/55/99/985645599.db2.gz QBKVTDMGWUOOBK-CVEARBPZSA-N -1 0 340.423 3.643 20 0 EHADRM Cc1cc(NC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)nn1C1CCCCC1 ZINC001599953757 985653536 /nfs/dbraw/zinc/65/35/36/985653536.db2.gz JOSIHHYPDKOYRI-UHFFFAOYSA-N -1 0 344.415 3.592 20 0 EHADRM C[C@@H]1CN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C[C@@H](C2CC2)O1 ZINC001594499859 985668667 /nfs/dbraw/zinc/66/86/67/985668667.db2.gz GAHOSEYDMPBSIP-NKZPBKNFSA-N -1 0 344.238 3.618 20 0 EHADRM Cc1[nH]c(C(=O)Nc2ccc3oc(C(C)C)nc3c2)c(C)c1C(=O)[O-] ZINC001599954765 985669603 /nfs/dbraw/zinc/66/96/03/985669603.db2.gz MLOCJFYYVXXREM-UHFFFAOYSA-N -1 0 341.367 3.847 20 0 EHADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN(C)[C@H](C)c1ccc(Cl)cc1 ZINC001599957646 985717509 /nfs/dbraw/zinc/71/75/09/985717509.db2.gz SKOUELVQANQPPN-LLVKDONJSA-N -1 0 334.803 3.550 20 0 EHADRM Cc1[nH]c2ccccc2c1CC(=O)Oc1cc(Cl)ccc1C(=O)[O-] ZINC001599965687 985900949 /nfs/dbraw/zinc/90/09/49/985900949.db2.gz RJKQANNQWDBRBA-UHFFFAOYSA-N -1 0 343.766 3.976 20 0 EHADRM CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)C(C)(C)C1CCCCC1 ZINC001596908310 985905962 /nfs/dbraw/zinc/90/59/62/985905962.db2.gz RBBFWGCJWNCKCC-OAHLLOKOSA-N -1 0 341.492 3.569 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)cc1C ZINC001589277238 985993621 /nfs/dbraw/zinc/99/36/21/985993621.db2.gz ILGNPBSIWSZISE-LBPRGKRZSA-N -1 0 325.364 3.638 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cc1C ZINC001589277392 985994742 /nfs/dbraw/zinc/99/47/42/985994742.db2.gz PAAWXKZDASERCM-LBPRGKRZSA-N -1 0 325.364 3.638 20 0 EHADRM CC(=O)c1ccc2ccccc2c1NC(=O)c1ccc(C=CC(=O)[O-])o1 ZINC001589304825 986068289 /nfs/dbraw/zinc/06/82/89/986068289.db2.gz GEPUMDNBVVEWAD-DHZHZOJOSA-N -1 0 349.342 3.986 20 0 EHADRM Cc1c(C(=O)Nc2ccc(C(=O)[O-])s2)cnn1C1CCCCC1 ZINC001599983602 986198426 /nfs/dbraw/zinc/19/84/26/986198426.db2.gz JEDCARKEUZOYGS-UHFFFAOYSA-N -1 0 333.413 3.709 20 0 EHADRM Cc1c(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])cnn1CCC(C)C ZINC001599984012 986204707 /nfs/dbraw/zinc/20/47/07/986204707.db2.gz WYDJKPQGVTXKIH-UHFFFAOYSA-N -1 0 349.818 3.842 20 0 EHADRM C[C@@H]1CN(Cc2nc(C(=O)[O-])cs2)CCc2ccc(Cl)cc21 ZINC001594547299 986223990 /nfs/dbraw/zinc/22/39/90/986223990.db2.gz HROGYYHXDQLNBV-SNVBAGLBSA-N -1 0 336.844 3.657 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1)C1CCC1 ZINC001589341623 986254410 /nfs/dbraw/zinc/25/44/10/986254410.db2.gz JEDXILMEXAOZLY-WDEREUQCSA-N -1 0 343.345 3.663 20 0 EHADRM CCOc1c(Cl)cc(NC(=O)C[C@@H](C)CC(=O)[O-])cc1Cl ZINC001596986976 986259131 /nfs/dbraw/zinc/25/91/31/986259131.db2.gz HAMMBIXXCOMBRE-MRVPVSSYSA-N -1 0 334.199 3.832 20 0 EHADRM CCOc1cc(-c2ccccc2)sc1C(=O)N[C@@H](C)/C=C\C(=O)[O-] ZINC001596991534 986269864 /nfs/dbraw/zinc/26/98/64/986269864.db2.gz MYWBQHOHHNBBEM-PRDAAYKISA-N -1 0 345.420 3.573 20 0 EHADRM C[C@H](C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21)c1ccc(Cl)cc1 ZINC001589346844 986291522 /nfs/dbraw/zinc/29/15/22/986291522.db2.gz WODZFADTNFSNCC-XHDPSFHLSA-N -1 0 329.783 3.659 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)Cc1cc2ccccc2o1 ZINC001597016148 986375224 /nfs/dbraw/zinc/37/52/24/986375224.db2.gz MCNCWXMVZPIBMV-UHFFFAOYSA-N -1 0 339.347 3.711 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1cccc(C(F)F)c1 ZINC001597024610 986429075 /nfs/dbraw/zinc/42/90/75/986429075.db2.gz BAIVZTYEQIQEDL-UHFFFAOYSA-N -1 0 335.306 3.973 20 0 EHADRM CCOc1cc(/C=C\c2nc(Cl)c(C(=O)[O-])s2)ccc1O ZINC001597034037 986466159 /nfs/dbraw/zinc/46/61/59/986466159.db2.gz SREUILARNFTUDG-XQRVVYSFSA-N -1 0 325.773 3.769 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC001597038070 986482829 /nfs/dbraw/zinc/48/28/29/986482829.db2.gz BQONWENSAOXCKZ-AWEZNQCLSA-N -1 0 345.782 3.567 20 0 EHADRM CCOc1cc(N[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])ccc1OC ZINC001597043510 986500758 /nfs/dbraw/zinc/50/07/58/986500758.db2.gz XDUJSCISBRBORC-OAHLLOKOSA-N -1 0 349.814 3.855 20 0 EHADRM CCOc1ccc(C=O)c(OCc2cccc(C(=O)[O-])c2Cl)c1 ZINC001597082302 986634747 /nfs/dbraw/zinc/63/47/47/986634747.db2.gz GYKOILGXDNFQSX-UHFFFAOYSA-N -1 0 334.755 3.828 20 0 EHADRM CCOc1ccc(C[C@@H](C)C(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC001597084337 986641935 /nfs/dbraw/zinc/64/19/35/986641935.db2.gz DTPLXUAFPLFJOO-CQSZACIVSA-N -1 0 341.407 3.530 20 0 EHADRM C[C@H]1Cc2cc(NC(=O)c3cc(C(=O)[O-])ccc3Cl)ccc2O1 ZINC001594618900 986643333 /nfs/dbraw/zinc/64/33/33/986643333.db2.gz MZMKGPGFPJQJLB-VIFPVBQESA-N -1 0 331.755 3.614 20 0 EHADRM CCOc1ccc(C[C@H](C)c2nc(-c3cc(C(=O)[O-])co3)no2)cc1 ZINC001597084926 986644840 /nfs/dbraw/zinc/64/48/40/986644840.db2.gz IRGFBCMPYTWYMT-NSHDSACASA-N -1 0 342.351 3.773 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)Nc2ccc3c(c2)C[C@@H](C)O3)c1 ZINC001594619306 986649943 /nfs/dbraw/zinc/64/99/43/986649943.db2.gz ZDKINVSEIRNJGC-NEPJUHHUSA-N -1 0 340.379 3.842 20 0 EHADRM C[C@H](C(=O)Nc1cc(CCC(=O)[O-])ccc1O)c1cccc(Cl)c1 ZINC001589428123 986697261 /nfs/dbraw/zinc/69/72/61/986697261.db2.gz BLXYLGOXZPGKIW-NSHDSACASA-N -1 0 347.798 3.805 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)c1ccsc1 ZINC001589435495 986745537 /nfs/dbraw/zinc/74/55/37/986745537.db2.gz JZTHDGLUOXVRHQ-SSDOTTSWSA-N -1 0 327.764 3.981 20 0 EHADRM CCOc1ccc(NC(=O)/C=C/c2cccs2)c(C(=O)[O-])c1F ZINC001597111587 986768037 /nfs/dbraw/zinc/76/80/37/986768037.db2.gz GNBGBVPOUUMRNG-VMPITWQZSA-N -1 0 335.356 3.636 20 0 EHADRM CCOc1ccc(NC(=O)NC(CC)(CC)CC(=O)[O-])cc1Cl ZINC001597119337 986805182 /nfs/dbraw/zinc/80/51/82/986805182.db2.gz RTCLQTPKKDPIER-UHFFFAOYSA-N -1 0 342.823 3.894 20 0 EHADRM CCOc1ccc(Oc2ccccc2NC(=O)[C@@H](CC)C(=O)[O-])cc1 ZINC001597134400 986865180 /nfs/dbraw/zinc/86/51/80/986865180.db2.gz QMXYPHPHHQVTAY-OAHLLOKOSA-N -1 0 343.379 3.927 20 0 EHADRM CCOc1cccc(/C=C\C(=O)N[C@]2(C(=O)[O-])CCCC(C)(C)C2)c1 ZINC001597149378 986918409 /nfs/dbraw/zinc/91/84/09/986918409.db2.gz JLHHPIBHNJHGOL-GDCKJWNLSA-N -1 0 345.439 3.638 20 0 EHADRM C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001594665925 986962330 /nfs/dbraw/zinc/96/23/30/986962330.db2.gz NVJAONDGKPJSSF-VIFPVBQESA-N -1 0 349.308 3.562 20 0 EHADRM C[C@@H]1[C@H](C)Sc2ccccc2N1C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001594666715 986967655 /nfs/dbraw/zinc/96/76/55/986967655.db2.gz ZBNKMKVMTIUAJZ-OLZOCXBDSA-N -1 0 341.432 3.843 20 0 EHADRM CC[C@H](C)Oc1ccccc1-c1ccc(C(=O)N[C@@H](C)C(=O)[O-])s1 ZINC000579853300 1015266829 /nfs/dbraw/zinc/26/68/29/1015266829.db2.gz LSCWHMIDHSFGET-RYUDHWBXSA-N -1 0 347.436 3.795 20 0 EHADRM C/C=C\COc1cccc(CC(=O)O[C@H](C)c2cc(C(=O)[O-])co2)c1 ZINC001594689654 987077257 /nfs/dbraw/zinc/07/72/57/987077257.db2.gz UTEQAPXYKNRATH-DHCBQETCSA-N -1 0 344.363 3.780 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2CCc3ccc(F)cc3C2)cc1 ZINC001589507990 987126765 /nfs/dbraw/zinc/12/67/65/987126765.db2.gz GEZZIAWWBLAXAB-LBPRGKRZSA-N -1 0 342.370 3.604 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2C[C@@H](C3CC3)[C@H]2C2CC2)cc1 ZINC001589508392 987128235 /nfs/dbraw/zinc/12/82/35/987128235.db2.gz JCSOETZFYBYUNY-MZPVMMEZSA-N -1 0 328.412 3.527 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NCCc2ccccc2Cl)cc1 ZINC001589512849 987152726 /nfs/dbraw/zinc/15/27/26/987152726.db2.gz MJRGWRPCHWUZBL-GFCCVEGCSA-N -1 0 346.814 3.892 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NCC[C@H]2CCC(C)(C)CO2)cc1 ZINC001589513733 987160456 /nfs/dbraw/zinc/16/04/56/987160456.db2.gz XHQSFMDMLIEMJR-XJKSGUPXSA-N -1 0 348.443 3.592 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cc(F)cc(Cl)c2N)cc1 ZINC001589522064 987173419 /nfs/dbraw/zinc/17/34/19/987173419.db2.gz ZAAZXUWZDUTCPY-MRVPVSSYSA-N -1 0 336.750 3.502 20 0 EHADRM CCC(=O)c1ccc(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)cc1 ZINC001594717178 987192169 /nfs/dbraw/zinc/19/21/69/987192169.db2.gz QNPYVHROBLSQKO-UHFFFAOYSA-N -1 0 333.290 3.508 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2c[nH]c(-c3ccccc3)n2)c1 ZINC001589531412 987202835 /nfs/dbraw/zinc/20/28/35/987202835.db2.gz FRWWZRLWTARKKO-GFCCVEGCSA-N -1 0 335.363 3.517 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cn(C)nc2-c2ccccc2)c1 ZINC001589531475 987203869 /nfs/dbraw/zinc/20/38/69/987203869.db2.gz FNSPKCXKRHDXNP-CYBMUJFWSA-N -1 0 349.390 3.528 20 0 EHADRM CC[C@H](C(=O)N(C)c1ccccc1C(=O)[O-])c1ccc(OC)cc1 ZINC001594724821 987222362 /nfs/dbraw/zinc/22/23/62/987222362.db2.gz CWBWDSSEKTZJRM-HNNXBMFYSA-N -1 0 327.380 3.550 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC001589533155 987223594 /nfs/dbraw/zinc/22/35/94/987223594.db2.gz YGKQSKCSICUZKX-SNVBAGLBSA-N -1 0 348.196 3.890 20 0 EHADRM CC(C)C[C@H](Cc1cccc(-c2cccc(C(N)=O)c2F)c1)C(=O)[O-] ZINC000579853664 1015288497 /nfs/dbraw/zinc/28/84/97/1015288497.db2.gz YJKTUOYEPQKDEV-OAHLLOKOSA-N -1 0 343.398 3.881 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NCc2csc(C(F)(F)F)n2)c1 ZINC001589540407 987243510 /nfs/dbraw/zinc/24/35/10/987243510.db2.gz XGSBMQCMBYIYFM-MRVPVSSYSA-N -1 0 330.331 3.962 20 0 EHADRM C[C@@H](C(=O)O[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-])c1ccsc1 ZINC001589541154 987252880 /nfs/dbraw/zinc/25/28/80/987252880.db2.gz ZVJGZJSDDKYUSG-YGRLFVJLSA-N -1 0 338.812 3.744 20 0 EHADRM CC[C@@H](C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-])c1ccc(F)cc1 ZINC001594733931 987256482 /nfs/dbraw/zinc/25/64/82/987256482.db2.gz IGCPKJLPWXVEKV-NVXWUHKLSA-N -1 0 335.419 3.717 20 0 EHADRM CC[C@H](C(=O)Nc1c(F)c(OC)ccc1C(=O)[O-])c1ccc(F)cc1 ZINC001594737282 987279642 /nfs/dbraw/zinc/27/96/42/987279642.db2.gz SNMXTQMNFVMQIN-LBPRGKRZSA-N -1 0 349.333 3.804 20 0 EHADRM CCSCc1ccc(N[C@@H]2CCCn3nc(C(=O)[O-])cc32)cc1 ZINC001597265096 987293668 /nfs/dbraw/zinc/29/36/68/987293668.db2.gz HOXJAFDHDNLNDS-CQSZACIVSA-N -1 0 331.441 3.781 20 0 EHADRM CCSCc1ccccc1C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001597265093 987293696 /nfs/dbraw/zinc/29/36/96/987293696.db2.gz HLFPJPGPTVOBRB-UHFFFAOYSA-N -1 0 343.448 3.910 20 0 EHADRM CCSCc1ccccc1C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC001597265314 987295666 /nfs/dbraw/zinc/29/56/66/987295666.db2.gz OWHMLQFXNYADFU-KRWDZBQOSA-N -1 0 343.448 3.838 20 0 EHADRM C[C@@H](C(=O)Oc1ccc(CC(=O)[O-])cc1F)c1cc2ccccc2o1 ZINC001589554085 987297595 /nfs/dbraw/zinc/29/75/95/987297595.db2.gz WIHFUSCMWKHFNQ-LLVKDONJSA-N -1 0 342.322 3.908 20 0 EHADRM CCSCc1ccccc1C(=O)Nc1cnc(C)c(C(=O)[O-])c1 ZINC001597267573 987304467 /nfs/dbraw/zinc/30/44/67/987304467.db2.gz MZLCRNQDPPSSNU-UHFFFAOYSA-N -1 0 330.409 3.594 20 0 EHADRM CCSc1cccc(C(=O)N[C@@](C)(C(=O)[O-])c2ccc(F)cc2)c1 ZINC001597273010 987325436 /nfs/dbraw/zinc/32/54/36/987325436.db2.gz NWCAAHMSUIPHSC-GOSISDBHSA-N -1 0 347.411 3.668 20 0 EHADRM CCSc1ccc(CC(=O)N(CC2CC2)[C@](C)(CC)C(=O)[O-])cc1 ZINC001597273479 987329878 /nfs/dbraw/zinc/32/98/78/987329878.db2.gz XAUMNCPRJMIATL-LJQANCHMSA-N -1 0 349.496 3.833 20 0 EHADRM CCSc1ccccc1CC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC001597279497 987342299 /nfs/dbraw/zinc/34/22/99/987342299.db2.gz JIIJNBGUZGEQGV-BPUTZDHNSA-N -1 0 347.480 3.585 20 0 EHADRM CCSc1ccccc1C(=O)Nc1cc(CCC(=O)[O-])ccc1O ZINC001597280059 987349227 /nfs/dbraw/zinc/34/92/27/987349227.db2.gz WJXQNXMEUVGHGL-UHFFFAOYSA-N -1 0 345.420 3.774 20 0 EHADRM CC(C)(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC001589579182 987358469 /nfs/dbraw/zinc/35/84/69/987358469.db2.gz FJEYPLFUYIVLJU-KOLCDFICSA-N -1 0 344.238 3.641 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)NC1CCCCCC1)c1ccccc1 ZINC001589594019 987409871 /nfs/dbraw/zinc/40/98/71/987409871.db2.gz MEPBELNLFJKXAR-MRXNPFEDSA-N -1 0 332.444 3.861 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccccc1F ZINC001597336689 987475143 /nfs/dbraw/zinc/47/51/43/987475143.db2.gz SFPFAHVWHLBZGA-HNNXBMFYSA-N -1 0 334.322 3.936 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(c2nc(Cl)nc3ccccc32)C1 ZINC001589617462 987494451 /nfs/dbraw/zinc/49/44/51/987494451.db2.gz YKDNAAVTIXHJBN-LLVKDONJSA-N -1 0 333.819 3.610 20 0 EHADRM CCc1[nH]c(C(=O)N(C)Cc2ccccc2Cl)c(C)c1C(=O)[O-] ZINC001597354771 987497956 /nfs/dbraw/zinc/49/79/56/987497956.db2.gz OIGRKUNVVWMZJU-UHFFFAOYSA-N -1 0 334.803 3.509 20 0 EHADRM CCc1[nH]c(C(=O)N(CC)Cc2ccccc2C)c(C)c1C(=O)[O-] ZINC001597358131 987513105 /nfs/dbraw/zinc/51/31/05/987513105.db2.gz VCIHFXHSWUTTSL-UHFFFAOYSA-N -1 0 328.412 3.554 20 0 EHADRM CCc1[nH]c(C(=O)N2CCC[C@H]2c2cccc(F)c2)c(C)c1C(=O)[O-] ZINC001597361304 987519274 /nfs/dbraw/zinc/51/92/74/987519274.db2.gz OTAZDOLMWZGMHM-HNNXBMFYSA-N -1 0 344.386 3.700 20 0 EHADRM CCc1[nH]c(C(=O)N[C@H](C(F)F)C2CCCCC2)c(C)c1C(=O)[O-] ZINC001597364603 987534893 /nfs/dbraw/zinc/53/48/93/987534893.db2.gz WTHXZJHGXKTKGT-AWEZNQCLSA-N -1 0 342.386 3.528 20 0 EHADRM CCc1[nH]c(C(=O)Nc2ccc(C)c(OC(C)C)c2)c(C)c1C(=O)[O-] ZINC001597373317 987557647 /nfs/dbraw/zinc/55/76/47/987557647.db2.gz QOHSLEDSCUEXNH-UHFFFAOYSA-N -1 0 344.411 3.932 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NCC[C@@H]2CC=CCC2)cc1 ZINC001589638125 987559356 /nfs/dbraw/zinc/55/93/56/987559356.db2.gz WXLRFGLRPZDWMX-CQSZACIVSA-N -1 0 330.428 3.917 20 0 EHADRM CCc1[nH]c(C(=O)Nc2nc(-c3ccco3)cs2)c(C)c1C(=O)[O-] ZINC001597373998 987560098 /nfs/dbraw/zinc/56/00/98/987560098.db2.gz GOHKAXUNMCSWAL-UHFFFAOYSA-N -1 0 345.380 3.553 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NCc2cccc3c2OC(F)(F)O3)cc1 ZINC001589641506 987564473 /nfs/dbraw/zinc/56/44/73/987564473.db2.gz SGAOJPZUSYNKJQ-UHFFFAOYSA-N -1 0 349.333 3.982 20 0 EHADRM CCc1[nH]c(C[N@@H+]2C[C@H](C)C[C@@H]2c2ccccc2F)cc1C(=O)[O-] ZINC001597384258 987587219 /nfs/dbraw/zinc/58/72/19/987587219.db2.gz ISXBXHXUZYKUDZ-KZULUSFZSA-N -1 0 330.403 3.998 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)[C@@H]2CCOc3ccccc32)c1 ZINC001589649974 987596320 /nfs/dbraw/zinc/59/63/20/987596320.db2.gz DSXQYCKXKMMWGV-MRXNPFEDSA-N -1 0 340.375 3.521 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)Cc2ccc(Cl)cc2)c1 ZINC001589651296 987602266 /nfs/dbraw/zinc/60/22/66/987602266.db2.gz WPIJIVZVYZPKTC-UHFFFAOYSA-N -1 0 332.783 3.850 20 0 EHADRM CCc1c2ccccc2oc1C(=O)N1c2cccc(C)c2C[C@H]1C(=O)[O-] ZINC001597405909 987677268 /nfs/dbraw/zinc/67/72/68/987677268.db2.gz HFXRZOJMAYTLQO-KRWDZBQOSA-N -1 0 349.386 3.960 20 0 EHADRM CCc1c2ccccc2oc1C(=O)Nc1cc(OC)ccc1C(=O)[O-] ZINC001597411451 987699818 /nfs/dbraw/zinc/69/98/18/987699818.db2.gz AZSJFIILFKSGON-UHFFFAOYSA-N -1 0 339.347 3.954 20 0 EHADRM CCc1cc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])ccc1O ZINC001597429940 987769041 /nfs/dbraw/zinc/76/90/41/987769041.db2.gz WTVRLAJZEQRUCX-QGZVFWFLSA-N -1 0 341.407 3.537 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)[C@H](C)Cc2ccc(F)cc2)s1 ZINC001597441100 987801871 /nfs/dbraw/zinc/80/18/71/987801871.db2.gz QIKORIFJGYUBLR-SNVBAGLBSA-N -1 0 335.400 3.965 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2oc(SC)cc2C)s1 ZINC001597445562 987818381 /nfs/dbraw/zinc/81/83/81/987818381.db2.gz OJIKJIBSSATPSY-UHFFFAOYSA-N -1 0 325.411 3.884 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2cccc(NC(C)=O)c2C)s1 ZINC001597446115 987822200 /nfs/dbraw/zinc/82/22/00/987822200.db2.gz YNAZFMOMVHVDRN-UHFFFAOYSA-N -1 0 346.408 3.528 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)C[C@]1(C)CC1(Cl)Cl ZINC001597450343 987839504 /nfs/dbraw/zinc/83/95/04/987839504.db2.gz WTVCTRVIIGJSRF-CQSZACIVSA-N -1 0 330.211 3.860 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N(C)[C@@H](CC)c1ccncc1 ZINC001597451813 987843389 /nfs/dbraw/zinc/84/33/89/987843389.db2.gz ILEIRCKPTNJVPU-KRWDZBQOSA-N -1 0 341.411 3.957 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N(Cc1ccccc1)OC ZINC001597454060 987859550 /nfs/dbraw/zinc/85/95/50/987859550.db2.gz XTYCHPZQHJWORW-UHFFFAOYSA-N -1 0 328.368 3.543 20 0 EHADRM CC(C)(C)[C@H](NC(=O)Nc1nc(CC(=O)[O-])cs1)c1ccccc1 ZINC001589717279 987865505 /nfs/dbraw/zinc/86/55/05/987865505.db2.gz WWCGHLPYMZANIS-CQSZACIVSA-N -1 0 347.440 3.679 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCCc1c(C)cccc1C ZINC001597458082 987879909 /nfs/dbraw/zinc/87/99/09/987879909.db2.gz BOKDAOOESWPNPJ-UHFFFAOYSA-N -1 0 340.423 3.928 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cn(C)nc1-c1ccccc1 ZINC001597463495 987892961 /nfs/dbraw/zinc/89/29/61/987892961.db2.gz GCVQQQFXCLZFRO-UHFFFAOYSA-N -1 0 349.390 3.600 20 0 EHADRM CS[C@H](C)CC(=O)Nc1ccc(Br)c(C(=O)[O-])c1C ZINC001599785159 987908198 /nfs/dbraw/zinc/90/81/98/987908198.db2.gz YZLBHMQRMYNEEY-SSDOTTSWSA-N -1 0 346.246 3.536 20 0 EHADRM CC(C)(C)[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])nc2)c2ccccc21 ZINC001589735270 987984518 /nfs/dbraw/zinc/98/45/18/987984518.db2.gz PXMGSYKBIRWYAF-CQSZACIVSA-N -1 0 339.395 3.962 20 0 EHADRM CCc1cc2c(nc(C)nc2NC[C@H](C(=O)[O-])c2ccccc2)s1 ZINC001597489225 988009419 /nfs/dbraw/zinc/00/94/19/988009419.db2.gz DXSOGWJBFVNJLD-HNNXBMFYSA-N -1 0 341.436 3.842 20 0 EHADRM CS[C@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)C1 ZINC001599791165 988011404 /nfs/dbraw/zinc/01/14/04/988011404.db2.gz RINNFCMACCLJAG-NSHDSACASA-N -1 0 330.409 3.507 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)[C@@H](c1ccncc1)C1CCCCC1)C(=O)[O-] ZINC001589743262 988023240 /nfs/dbraw/zinc/02/32/40/988023240.db2.gz IWJYILJQMONTLM-DLBZAZTESA-N -1 0 346.471 3.751 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC001589743203 988023686 /nfs/dbraw/zinc/02/36/86/988023686.db2.gz GWPSYZYBCVMKAV-SQNIBIBYSA-N -1 0 339.435 3.949 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N3C[C@H](C)[C@@](C)(C(=O)[O-])C3)o2)cc1 ZINC001597492738 988031888 /nfs/dbraw/zinc/03/18/88/988031888.db2.gz URJXHYHVDPYGKD-RBZFPXEDSA-N -1 0 341.407 3.692 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)c1cc(Cl)c(F)cc1Cl)C(=O)[O-] ZINC001589751833 988057222 /nfs/dbraw/zinc/05/72/22/988057222.db2.gz SDBXXUNGRLVMQA-NSHDSACASA-N -1 0 336.190 3.752 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)c1nc2ccccc2cc1C1CC1)C(=O)[O-] ZINC001589752272 988062936 /nfs/dbraw/zinc/06/29/36/988062936.db2.gz SZVNKSQNNJLXQV-INIZCTEOSA-N -1 0 340.423 3.731 20 0 EHADRM CCc1ccc(C(=O)NC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)s1 ZINC001597501029 988063580 /nfs/dbraw/zinc/06/35/80/988063580.db2.gz LRUXKVCLJFIZHB-AWEZNQCLSA-N -1 0 343.448 3.859 20 0 EHADRM CCc1ccc(C(=O)[O-])c(OC(=O)CCC(=O)c2ccc(C)cc2)c1 ZINC001597506425 988075755 /nfs/dbraw/zinc/07/57/55/988075755.db2.gz FDYFZWJMANUAJR-UHFFFAOYSA-N -1 0 340.375 3.824 20 0 EHADRM CCc1ccc(C(C)(C)NC(=O)/C=C\c2cc(C(=O)[O-])co2)cc1 ZINC001597508774 988087877 /nfs/dbraw/zinc/08/78/77/988087877.db2.gz UKYDZFWQYDIFLI-KTKRTIGZSA-N -1 0 327.380 3.605 20 0 EHADRM CCc1ccc(C(C)(C)NC(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC001597509108 988089740 /nfs/dbraw/zinc/08/97/40/988089740.db2.gz XWKKFGYBOZBZIC-UHFFFAOYSA-N -1 0 339.435 3.931 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N2c3cccc(C)c3C[C@@H]2C(=O)[O-])cc1 ZINC001597512200 988096758 /nfs/dbraw/zinc/09/67/58/988096758.db2.gz RYYAFZYMIHJZES-AUUYWEPGSA-N -1 0 337.419 3.703 20 0 EHADRM CCc1ccc([C@H]2C[C@@H](C)CCN2Cc2ncc(C(=O)[O-])s2)o1 ZINC001597516251 988126252 /nfs/dbraw/zinc/12/62/52/988126252.db2.gz BVYQASHGUHIFBS-WCQYABFASA-N -1 0 334.441 3.970 20 0 EHADRM CC(C)(C)CCN(CCc1ccccc1)C(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001589774809 988136653 /nfs/dbraw/zinc/13/66/53/988136653.db2.gz ZIEQDLPLFPDSTL-UHFFFAOYSA-N -1 0 342.439 3.834 20 0 EHADRM CCc1ccc(CN(C)[C@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)cc1 ZINC001597526098 988170189 /nfs/dbraw/zinc/17/01/89/988170189.db2.gz KHDHFSJZBYQTKT-CQSZACIVSA-N -1 0 342.439 3.595 20 0 EHADRM CCc1ccc(NC(=O)NCc2cc(C(=O)[O-])c(C)o2)cc1Cl ZINC001597547233 988256987 /nfs/dbraw/zinc/25/69/87/988256987.db2.gz RUNABZITRPGREZ-UHFFFAOYSA-N -1 0 336.775 3.824 20 0 EHADRM CSc1cc(C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)ccc1F ZINC001599806917 988270848 /nfs/dbraw/zinc/27/08/48/988270848.db2.gz ZFUBTTDHFMBPLM-CYBMUJFWSA-N -1 0 339.432 3.559 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001599808433 988294468 /nfs/dbraw/zinc/29/44/68/988294468.db2.gz DWQAVTOZRZSLJS-UHFFFAOYSA-N -1 0 339.804 3.743 20 0 EHADRM CSc1cc(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])ccc1Cl ZINC001599809308 988305978 /nfs/dbraw/zinc/30/59/78/988305978.db2.gz AVWGSLOBGXMSTO-SNVBAGLBSA-N -1 0 344.864 3.930 20 0 EHADRM CSc1cc(NC(=O)NCc2ccc(C(=O)[O-])o2)ccc1Cl ZINC001599809338 988307339 /nfs/dbraw/zinc/30/73/39/988307339.db2.gz CRKHGOPMEFPANL-UHFFFAOYSA-N -1 0 340.788 3.675 20 0 EHADRM CSc1ccc(C(=O)Oc2ccc3c(c2)c(C(=O)[O-])c(C)n3C)o1 ZINC001599810023 988317383 /nfs/dbraw/zinc/31/73/83/988317383.db2.gz AFSIGQIVKJLCKU-UHFFFAOYSA-N -1 0 345.376 3.719 20 0 EHADRM CCc1ccc2occ(C(=O)N[C@H](C(=O)[O-])C3CCCCC3)c2c1 ZINC001597570536 988347022 /nfs/dbraw/zinc/34/70/22/988347022.db2.gz NZEJPBNGRXYYEO-KRWDZBQOSA-N -1 0 329.396 3.759 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)CCc1cccnc1Cl ZINC001597573560 988358164 /nfs/dbraw/zinc/35/81/64/988358164.db2.gz SRRKPJXOLNKBKV-UHFFFAOYSA-N -1 0 332.787 3.567 20 0 EHADRM CSc1ccc(CCCC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)cc1 ZINC001599812596 988363305 /nfs/dbraw/zinc/36/33/05/988363305.db2.gz HYJDZWLPWDUETF-OAHLLOKOSA-N -1 0 337.485 3.737 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)C(F)(F)c1ccc(F)cc1 ZINC001597576978 988370621 /nfs/dbraw/zinc/37/06/21/988370621.db2.gz XGMDCZBCSQVLIY-UHFFFAOYSA-N -1 0 337.297 3.817 20 0 EHADRM CCc1cccc(C)c1NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001597581009 988384744 /nfs/dbraw/zinc/38/47/44/988384744.db2.gz LNJKQKPSBNBQAE-UHFFFAOYSA-N -1 0 336.391 3.918 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1ncccc1C(F)(F)F ZINC001597594228 988432654 /nfs/dbraw/zinc/43/26/54/988432654.db2.gz PQIPTLKXDGTQIV-UHFFFAOYSA-N -1 0 338.285 3.613 20 0 EHADRM CSc1ccc([C@H](C)NC(=O)/C=C\c2cc(C(=O)[O-])co2)cc1 ZINC001599820900 988511923 /nfs/dbraw/zinc/51/19/23/988511923.db2.gz GNFBQRIHDKQPRB-OFSNVTPPSA-N -1 0 331.393 3.590 20 0 EHADRM CSc1cccnc1C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001599825624 988593750 /nfs/dbraw/zinc/59/37/50/988593750.db2.gz ISUKMOPHNDPKGL-UHFFFAOYSA-N -1 0 338.388 3.907 20 0 EHADRM CSc1ccccc1[C@H](C)NC(=O)c1c(C)[nH]c(C(=O)[O-])c1C ZINC001599826605 988607305 /nfs/dbraw/zinc/60/73/05/988607305.db2.gz VZEIIVFEKSETRF-JTQLQIEISA-N -1 0 332.425 3.543 20 0 EHADRM CSc1nc(NC[C@H](CC2CCCC2)C(=O)[O-])cc(C(F)F)n1 ZINC001599828451 988633478 /nfs/dbraw/zinc/63/34/78/988633478.db2.gz RDSLPGMJBJGEBH-JTQLQIEISA-N -1 0 345.415 3.829 20 0 EHADRM CCc1nc(C)c(COc2ccc(C(=O)[O-])cc2Br)o1 ZINC001597661316 988730491 /nfs/dbraw/zinc/73/04/91/988730491.db2.gz LKUWHZFXJJBVON-UHFFFAOYSA-N -1 0 340.173 3.585 20 0 EHADRM CCc1nc(NC(=O)[C@H](F)CC2CCCCC2)sc1C(=O)[O-] ZINC001597676356 988791052 /nfs/dbraw/zinc/79/10/52/988791052.db2.gz VSEOIFBCEVIQCR-SNVBAGLBSA-N -1 0 328.409 3.651 20 0 EHADRM CCc1nc(NC(=O)[C@]2(C)CCCc3ccccc32)sc1C(=O)[O-] ZINC001597676372 988791294 /nfs/dbraw/zinc/79/12/94/988791294.db2.gz WLKJQCGGZZJOMJ-GOSISDBHSA-N -1 0 344.436 3.636 20 0 EHADRM C[C@@H](NCc1cc(C(=O)[O-])co1)c1ccc(Br)cc1F ZINC001599841416 988840293 /nfs/dbraw/zinc/84/02/93/988840293.db2.gz GNHTWPCKPYWRGM-MRVPVSSYSA-N -1 0 342.164 3.730 20 0 EHADRM CCc1ncsc1NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC001597712158 988974192 /nfs/dbraw/zinc/97/41/92/988974192.db2.gz NPSCIIPBEIYECS-VIFPVBQESA-N -1 0 336.438 3.523 20 0 EHADRM C[C@@H]1CN(C(=O)C2(c3cccc(Cl)c3)CCCC2)C[C@H]1CC(=O)[O-] ZINC001599852504 989034790 /nfs/dbraw/zinc/03/47/90/989034790.db2.gz JCDWAELMDOUHMH-ZIAGYGMSSA-N -1 0 349.858 3.721 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cccc(OC3CCCC3)c2)C[C@H]1CC(=O)[O-] ZINC001599859591 989145859 /nfs/dbraw/zinc/14/58/59/989145859.db2.gz LHAFAYDDUWFAOF-ZIAGYGMSSA-N -1 0 346.427 3.583 20 0 EHADRM CCc1nocc1C(=O)Nc1cc(-c2ccccc2)sc1C(=O)[O-] ZINC001597755101 989166789 /nfs/dbraw/zinc/16/67/89/989166789.db2.gz UDTPEAADOWRNPA-UHFFFAOYSA-N -1 0 342.376 3.916 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2Cl)C[C@H]1CC(=O)[O-] ZINC001599862859 989198131 /nfs/dbraw/zinc/19/81/31/989198131.db2.gz LAVZQUQWGBONPK-RKDXNWHRSA-N -1 0 349.736 3.542 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN[C@@H](c1cc(F)ccc1F)C(F)F ZINC001597767775 989225811 /nfs/dbraw/zinc/22/58/11/989225811.db2.gz UZAONRNQVVMJBL-AWEZNQCLSA-N -1 0 345.292 3.914 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CSCc1ccc(OC)cc1OC ZINC001597772125 989235266 /nfs/dbraw/zinc/23/52/66/989235266.db2.gz IDLQHWDYLKQYOC-UHFFFAOYSA-N -1 0 336.409 3.991 20 0 EHADRM CCn1c(C(=O)N2CCc3cccc(C(=O)[O-])c3C2)cc2ccccc21 ZINC001597836455 989522597 /nfs/dbraw/zinc/52/25/97/989522597.db2.gz KRBFPRWTWNRNKI-UHFFFAOYSA-N -1 0 348.402 3.558 20 0 EHADRM CCn1cc(C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])c2ccccc21 ZINC001597873895 989680203 /nfs/dbraw/zinc/68/02/03/989680203.db2.gz ABYQAGFSXWKMTG-OAHLLOKOSA-N -1 0 342.439 3.672 20 0 EHADRM CCn1cc([C@@H](C)N[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)cn1 ZINC001597882854 989715306 /nfs/dbraw/zinc/71/53/06/989715306.db2.gz WHKCBOJYDLBHEC-OTYXRUKQSA-N -1 0 342.226 3.686 20 0 EHADRM CCn1cc(CC(=O)OCc2cc(C)c(C(=O)[O-])o2)c2ccccc21 ZINC001597884187 989718414 /nfs/dbraw/zinc/71/84/14/989718414.db2.gz CWMPBRGBRMTEES-UHFFFAOYSA-N -1 0 341.363 3.547 20 0 EHADRM CC(C)(C)OC1CC(CC(=O)OCc2ccc(C(=O)[O-])c(F)c2)C1 ZINC001590374513 989868345 /nfs/dbraw/zinc/86/83/45/989868345.db2.gz KBQOMUMVMXSDIQ-UHFFFAOYSA-N -1 0 338.375 3.551 20 0 EHADRM CC(C)(C)OCCCC(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001590382270 989897801 /nfs/dbraw/zinc/89/78/01/989897801.db2.gz NSFGBZNLUTUGDM-CQSZACIVSA-N -1 0 328.792 3.604 20 0 EHADRM CC(C)(C)O[C@@H]1C[C@H]1C(=O)Nc1cc(C(=O)[O-])cc(Cl)c1Cl ZINC001590397605 989926832 /nfs/dbraw/zinc/92/68/32/989926832.db2.gz QXODPEPENVUHTR-LDYMZIIASA-N -1 0 346.210 3.834 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)NC[C@H](CC2CC2)C(=O)[O-])c1 ZINC001590398828 989932656 /nfs/dbraw/zinc/93/26/56/989932656.db2.gz QARWPIXQAOVSSZ-HNNXBMFYSA-N -1 0 348.443 3.624 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)N(CC(=O)[O-])c2cccc(F)c2)c1 ZINC001590407931 989938330 /nfs/dbraw/zinc/93/83/30/989938330.db2.gz CVHUOLNJKRYPAY-UHFFFAOYSA-N -1 0 345.370 3.734 20 0 EHADRM CC(C)(C)Oc1ccccc1CNC(=O)Nc1cc(C(=O)[O-])cs1 ZINC001590419805 989961968 /nfs/dbraw/zinc/96/19/68/989961968.db2.gz IGITYOHSBNDJTA-UHFFFAOYSA-N -1 0 348.424 3.945 20 0 EHADRM CC(C)(C)Oc1cccc(COC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC001590419847 989962037 /nfs/dbraw/zinc/96/20/37/989962037.db2.gz JBFVIRNIDIMSGU-HUUCEWRRSA-N -1 0 334.412 3.798 20 0 EHADRM CC(C)(C)c1cc2cccnc2c(NC(=O)c2cccc(C(=O)[O-])n2)c1 ZINC001590462004 990032513 /nfs/dbraw/zinc/03/25/13/990032513.db2.gz NUNJIPOLWNQRRB-UHFFFAOYSA-N -1 0 349.390 3.878 20 0 EHADRM CC(C)(C)c1ccc(-c2nnc(-c3ccoc3CC(=O)[O-])o2)cc1 ZINC001590472212 990043825 /nfs/dbraw/zinc/04/38/25/990043825.db2.gz MFJOFBDWQUVLPF-UHFFFAOYSA-N -1 0 326.352 3.921 20 0 EHADRM CC(C)(C)c1ccc(CC(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC001590479838 990056701 /nfs/dbraw/zinc/05/67/01/990056701.db2.gz JHNAJFLWOPIZHT-OAHLLOKOSA-N -1 0 345.464 3.920 20 0 EHADRM CC(C)(C)c1ccc(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)nc1 ZINC001590481728 990076555 /nfs/dbraw/zinc/07/65/55/990076555.db2.gz QOPIFKKPKDUGME-UHFFFAOYSA-N -1 0 334.322 3.608 20 0 EHADRM CC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)[O-])n2)cc1Cl ZINC001590481976 990077935 /nfs/dbraw/zinc/07/79/35/990077935.db2.gz YPBUCDWHNFUSCQ-UHFFFAOYSA-N -1 0 332.787 3.983 20 0 EHADRM CC(C)(C)c1ccc(CCNC(=O)/C=C\c2cc(C(=O)[O-])co2)cc1 ZINC001590484876 990079957 /nfs/dbraw/zinc/07/99/57/990079957.db2.gz HJMLOYLQXNALSZ-HJWRWDBZSA-N -1 0 341.407 3.647 20 0 EHADRM CC(C)(C)c1ccc(C[S@@](=O)Cc2cccc(C(=O)[O-])n2)cc1 ZINC001590487575 990088637 /nfs/dbraw/zinc/08/86/37/990088637.db2.gz QTQAXXDAZSHREA-HSZRJFAPSA-N -1 0 331.437 3.526 20 0 EHADRM CC(C)(C)c1ccc(CS(=O)(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC001590487555 990089163 /nfs/dbraw/zinc/08/91/63/990089163.db2.gz QDKGODSZQNGBTH-UHFFFAOYSA-N -1 0 346.448 3.797 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)CNc2cc(C(=O)[O-])ccc2F)cc1 ZINC001590493737 990097472 /nfs/dbraw/zinc/09/74/72/990097472.db2.gz OUIYHVIHYQTXPQ-UHFFFAOYSA-N -1 0 344.386 3.872 20 0 EHADRM CC(C)(C)c1ccccc1OCCNC(=O)c1ccsc1C(=O)[O-] ZINC001590505188 990119285 /nfs/dbraw/zinc/11/92/85/990119285.db2.gz DSZLFUIONLRKJD-UHFFFAOYSA-N -1 0 347.436 3.553 20 0 EHADRM CC(C)(C)c1ccccc1NCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001590505568 990120512 /nfs/dbraw/zinc/12/05/12/990120512.db2.gz JHEDPGJUBLWGGP-UHFFFAOYSA-N -1 0 326.396 3.733 20 0 EHADRM CC(C)(C)c1cnc(NC(=O)NCCc2ccccc2C(=O)[O-])s1 ZINC001590515760 990130865 /nfs/dbraw/zinc/13/08/65/990130865.db2.gz FOMSIZMFDAPNER-UHFFFAOYSA-N -1 0 347.440 3.503 20 0 EHADRM CC(C)(C)c1csc(/C(=C\c2cccc3c2OCO3)C(=O)[O-])n1 ZINC001590527090 990140448 /nfs/dbraw/zinc/14/04/48/990140448.db2.gz RQRGEAJERNGATJ-YRNVUSSQSA-N -1 0 331.393 3.795 20 0 EHADRM CC(C)(C)c1nc(NC(=O)CCNc2ccccc2)sc1C(=O)[O-] ZINC001590543991 990173937 /nfs/dbraw/zinc/17/39/37/990173937.db2.gz AIKGKWMDTFBCID-UHFFFAOYSA-N -1 0 347.440 3.580 20 0 EHADRM CC(C)(C)c1ncc(C(=O)Nc2cc(F)cc(C(=O)[O-])c2F)s1 ZINC001590550550 990189210 /nfs/dbraw/zinc/18/92/10/990189210.db2.gz HTLSTIHCBJKHHO-UHFFFAOYSA-N -1 0 340.351 3.669 20 0 EHADRM CN(C(=O)CCSc1cccc(Cl)c1)C1(C(=O)[O-])CCCC1 ZINC001598018001 990196586 /nfs/dbraw/zinc/19/65/86/990196586.db2.gz SRCKTBFFBQYPOI-UHFFFAOYSA-N -1 0 341.860 3.678 20 0 EHADRM CN(C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21)C1CCCCC1 ZINC001598047787 990286992 /nfs/dbraw/zinc/28/69/92/990286992.db2.gz SCWWEWFYNLLPFT-INIZCTEOSA-N -1 0 344.455 3.779 20 0 EHADRM CC(C)(CC(=O)N[C@H](CC1CC1)C(=O)[O-])Cc1ccc(Cl)cc1 ZINC001590621314 990301051 /nfs/dbraw/zinc/30/10/51/990301051.db2.gz ZVWPWWIRSPMMAU-OAHLLOKOSA-N -1 0 337.847 3.668 20 0 EHADRM CC(C)(CC(=O)[O-])C(=O)OCc1coc(-c2cccc(Cl)c2)n1 ZINC001590625166 990306890 /nfs/dbraw/zinc/30/68/90/990306890.db2.gz GNCVUWIWOLTKLY-UHFFFAOYSA-N -1 0 337.759 3.539 20 0 EHADRM CN(C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)C1CC(C)(C)C1 ZINC001598056882 990320524 /nfs/dbraw/zinc/32/05/24/990320524.db2.gz XFPSJCLOJAZBSL-UHFFFAOYSA-N -1 0 328.771 3.830 20 0 EHADRM CN(C(=O)Nc1ccc(CCC(=O)[O-])cc1)C1CC(OC(C)(C)C)C1 ZINC001598057044 990321910 /nfs/dbraw/zinc/32/19/10/990321910.db2.gz LFBDESSHRBFDFH-UHFFFAOYSA-N -1 0 348.443 3.514 20 0 EHADRM CN(C(=O)Nc1cccc(CCC(=O)[O-])c1)[C@@H]1CCc2ccccc21 ZINC001598062225 990338096 /nfs/dbraw/zinc/33/80/96/990338096.db2.gz VZDUQFMMSIXWFD-GOSISDBHSA-N -1 0 338.407 3.855 20 0 EHADRM CC(C)(CC1CCCCCC1)NC(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001590653688 990343283 /nfs/dbraw/zinc/34/32/83/990343283.db2.gz DICLKXOXOJDPIO-MRXNPFEDSA-N -1 0 338.492 3.926 20 0 EHADRM CN(C(=O)[C@H]1CCCC[C@H]1C(=O)[O-])c1ccc(-c2nccs2)cc1 ZINC001598067905 990362164 /nfs/dbraw/zinc/36/21/64/990362164.db2.gz FAJQUMAQUFCXFX-LSDHHAIUSA-N -1 0 344.436 3.664 20 0 EHADRM CC(C)(CNC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])C1CCC1 ZINC001590724125 990510196 /nfs/dbraw/zinc/51/01/96/990510196.db2.gz SKWLIRUSTGARBN-INIZCTEOSA-N -1 0 346.471 3.964 20 0 EHADRM CC(C)(C)[C@H]1CCC[C@H](NC(=O)NCC(C)(C)CC(=O)[O-])CC1 ZINC001590724379 990511553 /nfs/dbraw/zinc/51/15/53/990511553.db2.gz XSEYUVDTLSEAAD-KBPBESRZSA-N -1 0 326.481 3.782 20 0 EHADRM CC(C)(CNC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccccc1Cl ZINC001590749159 990547740 /nfs/dbraw/zinc/54/77/40/990547740.db2.gz ILCJDRQRGRPNHU-UHFFFAOYSA-N -1 0 349.789 3.885 20 0 EHADRM CN(C)C(=O)c1cccc(COc2c(C(=O)[O-])ccc3ccccc32)c1 ZINC001598157258 990649965 /nfs/dbraw/zinc/64/99/65/990649965.db2.gz PGCPIAVIFXFPMM-UHFFFAOYSA-N -1 0 349.386 3.819 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001590822140 990663257 /nfs/dbraw/zinc/66/32/57/990663257.db2.gz WOEFRWZBZIJRSB-LIRRHRJNSA-N -1 0 349.858 3.622 20 0 EHADRM CC(C)(NCc1cc(Cl)cc2cccnc21)c1nocc1C(=O)[O-] ZINC001590871484 990778446 /nfs/dbraw/zinc/77/84/46/990778446.db2.gz WZPPCKOJMWPUQC-UHFFFAOYSA-N -1 0 345.786 3.599 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(O[C@@H](C)C(=O)[O-])c(F)c2)C1(C)C ZINC001590915110 990901709 /nfs/dbraw/zinc/90/17/09/990901709.db2.gz PKSMPWWLWSBLME-NORZTCDRSA-N -1 0 349.402 3.855 20 0 EHADRM CC(C)=CCN(Cc1ccc(Cl)cc1)c1ccnc(C(=O)[O-])n1 ZINC001590921173 990909117 /nfs/dbraw/zinc/90/91/17/990909117.db2.gz MXKXQRUKAAIOOK-UHFFFAOYSA-N -1 0 331.803 3.801 20 0 EHADRM CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)c1cc(C(=O)[O-])no1 ZINC001590921593 990911707 /nfs/dbraw/zinc/91/17/07/990911707.db2.gz QMELFJXOPPFMEM-UHFFFAOYSA-N -1 0 348.786 3.635 20 0 EHADRM CC(C)C(=O)c1ccc([C@@H](C)C(=O)OCc2occc2C(=O)[O-])cc1 ZINC001590948777 990999176 /nfs/dbraw/zinc/99/91/76/990999176.db2.gz DFEKKNNQPAPMMW-GFCCVEGCSA-N -1 0 344.363 3.663 20 0 EHADRM COc1cccc2c(C(=O)O[C@H](C)c3cc(C(=O)[O-])co3)coc21 ZINC001599689373 991041122 /nfs/dbraw/zinc/04/11/22/991041122.db2.gz KBICAESCPSLTDM-SECBINFHSA-N -1 0 330.292 3.651 20 0 EHADRM COc1cccc2c1CCCCN2C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001599690514 991061522 /nfs/dbraw/zinc/06/15/22/991061522.db2.gz ISUHZAVBGQWFJH-UHFFFAOYSA-N -1 0 346.408 3.830 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001590967643 991082874 /nfs/dbraw/zinc/08/28/74/991082874.db2.gz CICHYBVCMYVYCD-UWVAXJGDSA-N -1 0 331.456 3.651 20 0 EHADRM CC(C)[C@H](CCc1ccccc1)C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001590981138 991138069 /nfs/dbraw/zinc/13/80/69/991138069.db2.gz PTDYWWZGRDSZOZ-UEXGIBASSA-N -1 0 343.467 3.747 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001599696749 991159922 /nfs/dbraw/zinc/15/99/22/991159922.db2.gz FHPNRLHVJRNNSZ-RAXLEYEMSA-N -1 0 325.364 3.744 20 0 EHADRM COc1ccccc1[C@@H](C)N(Cc1ccc(C)c(C(=O)[O-])c1)OC ZINC001599697512 991170485 /nfs/dbraw/zinc/17/04/85/991170485.db2.gz GKPFWLQGBICQAK-CQSZACIVSA-N -1 0 329.396 3.826 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001590992848 991208258 /nfs/dbraw/zinc/20/82/58/991208258.db2.gz BIZMVOJRGOSRDH-QGZVFWFLSA-N -1 0 343.398 3.906 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)c1sccc1C1CC1 ZINC001598301540 991254884 /nfs/dbraw/zinc/25/48/84/991254884.db2.gz VPTNQOFYIQHIPA-UHFFFAOYSA-N -1 0 330.409 3.642 20 0 EHADRM CC(C)[C@H](NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC001591019293 991303944 /nfs/dbraw/zinc/30/39/44/991303944.db2.gz VLLSXUBMRFZDAU-SCRDCRAPSA-N -1 0 343.345 3.630 20 0 EHADRM CC(C)[C@@H](SCC(=O)[O-])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC001591052215 991457923 /nfs/dbraw/zinc/45/79/23/991457923.db2.gz OIZYLIJIDAXBSV-GFCCVEGCSA-N -1 0 336.240 3.774 20 0 EHADRM COc1ccnc(CSCCOc2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC001599720527 991529207 /nfs/dbraw/zinc/52/92/07/991529207.db2.gz GVFSPYWWFRNHIG-DAXSKMNVSA-N -1 0 345.420 3.500 20 0 EHADRM CC(C)[C@@H]1C[C@@H](COC(=O)c2cc(C(=O)[O-])ccc2Cl)CCO1 ZINC001591076558 991559555 /nfs/dbraw/zinc/55/95/55/991559555.db2.gz PZNZDTOTJKSVBD-NHYWBVRUSA-N -1 0 340.803 3.646 20 0 EHADRM CC(C)C1CCC(CNC(=O)NCc2ccccc2CC(=O)[O-])CC1 ZINC001591079418 991572312 /nfs/dbraw/zinc/57/23/12/991572312.db2.gz GKQLVBHTAQJNHB-UHFFFAOYSA-N -1 0 346.471 3.575 20 0 EHADRM CC(C)C1CCC(CNC(=O)NCc2ccc(CC(=O)[O-])cc2)CC1 ZINC001591081440 991592548 /nfs/dbraw/zinc/59/25/48/991592548.db2.gz ZKYMWSAJLAFEIT-UHFFFAOYSA-N -1 0 346.471 3.575 20 0 EHADRM COc1cncc(/C=C/CCS[C@H](C)c2nc(C(=O)[O-])co2)c1 ZINC001599726426 991633883 /nfs/dbraw/zinc/63/38/83/991633883.db2.gz MCOJVVYMXIZFJF-JOAKQRRISA-N -1 0 334.397 3.674 20 0 EHADRM COc1cncc(/C=C/CCOc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001599726625 991637818 /nfs/dbraw/zinc/63/78/18/991637818.db2.gz PTIXJYUWPXGANA-DUXPYHPUSA-N -1 0 333.771 3.924 20 0 EHADRM CC(C)[C@H]1CN(C(=O)NCCCCCCC(=O)[O-])c2ccccc21 ZINC001591092726 991647188 /nfs/dbraw/zinc/64/71/88/991647188.db2.gz DPGHACSYCFGREQ-MRXNPFEDSA-N -1 0 332.444 3.991 20 0 EHADRM CC(C)[C@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2F)c2ccccc2N1 ZINC001591093332 991657475 /nfs/dbraw/zinc/65/74/75/991657475.db2.gz PTZFQLFHVDFERT-MRXNPFEDSA-N -1 0 342.370 3.621 20 0 EHADRM CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1csc(C(=O)[O-])n1 ZINC001591094431 991672661 /nfs/dbraw/zinc/67/26/61/991672661.db2.gz LBFLGVJHINMSFG-SWLSCSKDSA-N -1 0 344.436 3.531 20 0 EHADRM CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)CC(C)(C)CC(=O)[O-] ZINC001591094440 991672784 /nfs/dbraw/zinc/67/27/84/991672784.db2.gz LFZHZVXBOPGENY-HNAYVOBHSA-N -1 0 331.456 3.953 20 0 EHADRM CN(CC(=O)Nc1cccc(C(=O)[O-])c1)c1ccc(C(C)(C)C)cc1 ZINC001598399893 991688673 /nfs/dbraw/zinc/68/86/73/991688673.db2.gz GJTOWRAJSRMGMB-UHFFFAOYSA-N -1 0 340.423 3.757 20 0 EHADRM CN(CC(C)(C)C)C(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001598419841 991755231 /nfs/dbraw/zinc/75/52/31/991755231.db2.gz PKWFKKSZQAIHGV-UHFFFAOYSA-N -1 0 343.221 3.657 20 0 EHADRM CC(C)C[C@H](C)OC(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC001591137784 991848122 /nfs/dbraw/zinc/84/81/22/991848122.db2.gz LAHUYHGNYXZZLS-LBPRGKRZSA-N -1 0 343.370 3.813 20 0 EHADRM CC(C)C[C@@H](C)OCCC(=O)N1c2ccccc2C[C@H](C)[C@@H]1C(=O)[O-] ZINC001591138040 991852092 /nfs/dbraw/zinc/85/20/92/991852092.db2.gz JAXODIVEQDWWNE-QMTMVMCOSA-N -1 0 347.455 3.506 20 0 EHADRM CC(C)CC1(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)CCCC1 ZINC001591192472 992007536 /nfs/dbraw/zinc/00/75/36/992007536.db2.gz NYSHPSMLWIADOM-UHFFFAOYSA-N -1 0 329.400 3.806 20 0 EHADRM CC(C)C[C@]1(C)CCCN1C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001591193398 992011357 /nfs/dbraw/zinc/01/13/57/992011357.db2.gz ZCXHDLGVMHRUFC-FQEVSTJZSA-N -1 0 342.439 3.836 20 0 EHADRM CC(C)C[C@H]1C[C@@H](Nc2cc(C(F)(F)F)c(C(=O)[O-])cn2)CCO1 ZINC001591205532 992029702 /nfs/dbraw/zinc/02/97/02/992029702.db2.gz JNSQJMIXVHAFMM-QWRGUYRKSA-N -1 0 346.349 3.804 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)N(C)CCC1CCCCC1 ZINC001598472483 992048901 /nfs/dbraw/zinc/04/89/01/992048901.db2.gz RWEBAGUCVGWFJT-UHFFFAOYSA-N -1 0 347.459 3.885 20 0 EHADRM CC(C)CCC[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC001591228388 992104648 /nfs/dbraw/zinc/10/46/48/992104648.db2.gz FOJCCMKALVUYBY-LLVKDONJSA-N -1 0 347.864 3.531 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)cc1 ZINC001591261048 992171692 /nfs/dbraw/zinc/17/16/92/992171692.db2.gz RUUUKJLJGQFRQR-LIRRHRJNSA-N -1 0 348.443 3.686 20 0 EHADRM CC(C)CCOc1ccccc1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC001591266035 992176502 /nfs/dbraw/zinc/17/65/02/992176502.db2.gz LPLKJXKNPSSHPF-UHFFFAOYSA-N -1 0 348.443 3.876 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCC(=Cc3cccc(F)c3)CC2)c1 ZINC000535619198 1015692403 /nfs/dbraw/zinc/69/24/03/1015692403.db2.gz YQFLLWAQIWJUOP-UHFFFAOYSA-N -1 0 339.366 3.844 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)/C=C/CCc1ccccc1 ZINC001591310228 992271142 /nfs/dbraw/zinc/27/11/42/992271142.db2.gz UEJYDPARVUNWJO-UKTHLTGXSA-N -1 0 331.456 3.771 20 0 EHADRM CS[C@H](C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-])c1ccccc1 ZINC001599779678 992348775 /nfs/dbraw/zinc/34/87/75/992348775.db2.gz DKIUJCCNJMYXRQ-XKQJLSEDSA-N -1 0 343.448 3.669 20 0 EHADRM CS[C@@H](C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC001599780332 992355917 /nfs/dbraw/zinc/35/59/17/992355917.db2.gz IQLZLTDDRWTBRX-DOTOQJQBSA-N -1 0 341.432 3.696 20 0 EHADRM CN(CCOC(C)(C)C)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598496809 992377457 /nfs/dbraw/zinc/37/74/57/992377457.db2.gz HXITVSQEEQRASP-ZDUSSCGKSA-N -1 0 334.243 3.866 20 0 EHADRM CS[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC001599783121 992391447 /nfs/dbraw/zinc/39/14/47/992391447.db2.gz CZQGBPMOUKKLHA-SUMWQHHRSA-N -1 0 343.448 3.737 20 0 EHADRM CC(C)CNc1nnc(S[C@H](C(=O)[O-])c2ccc(F)cc2)s1 ZINC001591379738 992422142 /nfs/dbraw/zinc/42/21/42/992422142.db2.gz IULPUOUDXAEQCU-NSHDSACASA-N -1 0 341.433 3.663 20 0 EHADRM CC(C)CSCCCNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001591416129 992495516 /nfs/dbraw/zinc/49/55/16/992495516.db2.gz QOICWJLVDWPPCR-UHFFFAOYSA-N -1 0 346.399 3.564 20 0 EHADRM CN(Cc1cc(C(=O)[O-])co1)Cc1ccc(Br)cc1F ZINC001598506561 992511433 /nfs/dbraw/zinc/51/14/33/992511433.db2.gz FLZMJBBZWNKUEM-UHFFFAOYSA-N -1 0 342.164 3.511 20 0 EHADRM CN(Cc1cc(C(C)(C)C)n[nH]1)Cc1c(Cl)cccc1C(=O)[O-] ZINC001598507125 992519490 /nfs/dbraw/zinc/51/94/90/992519490.db2.gz QABAQUOIZQHJMB-UHFFFAOYSA-N -1 0 335.835 3.691 20 0 EHADRM CN(Cc1ccc(-c2ccsc2)cc1)[C@@H](COC1CCC1)C(=O)[O-] ZINC001598508882 992541206 /nfs/dbraw/zinc/54/12/06/992541206.db2.gz JIYYUFCTCZJYEW-SFHVURJKSA-N -1 0 345.464 3.869 20 0 EHADRM CC(C)Cc1ccc(CCCC(=O)N[C@@H](CC(=O)[O-])C2CC2)cc1 ZINC001591484523 992611174 /nfs/dbraw/zinc/61/11/74/992611174.db2.gz ZLLQQIZQFNQOLZ-SFHVURJKSA-N -1 0 331.456 3.577 20 0 EHADRM CC(C)Cc1ccc(C(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)cc1 ZINC001591484914 992614105 /nfs/dbraw/zinc/61/41/05/992614105.db2.gz XIDMDRONWYPPAE-IBGZPJMESA-N -1 0 339.435 3.701 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)NCC2(C(=O)[O-])CCCC2)cc1 ZINC001591489241 992619701 /nfs/dbraw/zinc/61/97/01/992619701.db2.gz OUXRBLDXUFHEHU-HNNXBMFYSA-N -1 0 331.456 3.750 20 0 EHADRM CC(C)Cc1nsc(Nc2cccc(CSCC(=O)[O-])c2)n1 ZINC001591498217 992637924 /nfs/dbraw/zinc/63/79/24/992637924.db2.gz YEDCRWBZANXNOS-UHFFFAOYSA-N -1 0 337.470 3.798 20 0 EHADRM CC(C)Cn1ccc2c1cccc2C(=O)NC1(C(=O)[O-])CCCCC1 ZINC001591521300 992689963 /nfs/dbraw/zinc/68/99/63/992689963.db2.gz GKQKXQTZUSMNLP-UHFFFAOYSA-N -1 0 342.439 3.815 20 0 EHADRM CC(C)Cn1ccc2c1cccc2C(=O)N(CC(=O)[O-])C1CCCC1 ZINC001591521482 992690617 /nfs/dbraw/zinc/69/06/17/992690617.db2.gz KIDJXSQXBYCRKI-UHFFFAOYSA-N -1 0 342.439 3.767 20 0 EHADRM CC(C)Cn1ccc2c1cccc2C(=O)NCC1(C(=O)[O-])CCCC1 ZINC001591521781 992692993 /nfs/dbraw/zinc/69/29/93/992692993.db2.gz TWCCZIFQDBGWFK-UHFFFAOYSA-N -1 0 342.439 3.672 20 0 EHADRM CC(C)N(C)c1ccc(NC(=O)c2ccsc2C(=O)[O-])cc1F ZINC001591561026 992761633 /nfs/dbraw/zinc/76/16/33/992761633.db2.gz UUNDBRKZTCUYRV-UHFFFAOYSA-N -1 0 336.388 3.682 20 0 EHADRM CC(C)N(Cc1cccc(Cl)c1)C(=O)NC1CC(CC(=O)[O-])C1 ZINC001591600612 992831127 /nfs/dbraw/zinc/83/11/27/992831127.db2.gz POLHWWFCUYYXBL-UHFFFAOYSA-N -1 0 338.835 3.513 20 0 EHADRM CN(Cc1nc(Cl)ccc1Cl)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598537083 992851897 /nfs/dbraw/zinc/85/18/97/992851897.db2.gz MCWRZXJTMOAOLW-CQSZACIVSA-N -1 0 325.195 3.646 20 0 EHADRM CN(Cc1nc2ccccc2o1)[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001598537689 992860695 /nfs/dbraw/zinc/86/06/95/992860695.db2.gz JDSQKJAESIAOKE-MRXNPFEDSA-N -1 0 330.771 3.739 20 0 EHADRM COc1ccc(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(C)cc2)c(C)c1 ZINC001599592521 993704249 /nfs/dbraw/zinc/70/42/49/993704249.db2.gz BPMVTMVKRKCXCV-KRWDZBQOSA-N -1 0 342.395 3.650 20 0 EHADRM O=C(c1cc(O)ccc1Cl)N(Cc1cc[nH]n1)Cc1ccccc1 ZINC000339875691 1015802014 /nfs/dbraw/zinc/80/20/14/1015802014.db2.gz KGUPFAHKTGWQPD-UHFFFAOYSA-N -1 0 341.798 3.611 20 0 EHADRM COc1ccc(Nc2ncc(C(=O)[O-])cc2Cl)cc1OC(C)C ZINC001599598115 993775825 /nfs/dbraw/zinc/77/58/25/993775825.db2.gz JSJSUKXDJSYVEG-UHFFFAOYSA-N -1 0 336.775 3.973 20 0 EHADRM COc1ccc(OC(=O)c2ccc(C(=O)[O-])cc2)c(C(C)(C)C)c1 ZINC001599600572 993809861 /nfs/dbraw/zinc/80/98/61/993809861.db2.gz NXSULYFSSMFOAH-UHFFFAOYSA-N -1 0 328.364 3.910 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)[C@H]1CCCOC1 ZINC001593118382 993828342 /nfs/dbraw/zinc/82/83/42/993828342.db2.gz KSUSWMJXRLDGKK-MNOVXSKESA-N -1 0 348.424 3.536 20 0 EHADRM C[C@@H](NC(=O)c1cccc(CC(=O)[O-])c1)c1ccc(Cl)c(F)c1 ZINC001593175559 994046796 /nfs/dbraw/zinc/04/67/96/994046796.db2.gz QPYLNYBHSBTDNJ-SNVBAGLBSA-N -1 0 335.762 3.597 20 0 EHADRM COc1ccc(S[C@@H](C)C(=O)Nc2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001599619542 994061646 /nfs/dbraw/zinc/06/16/46/994061646.db2.gz WVYOHYBGNFFSQP-LBPRGKRZSA-N -1 0 345.420 3.821 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001599620541 994074767 /nfs/dbraw/zinc/07/47/67/994074767.db2.gz MLGZVDAQCLJGPR-KSSFIOAISA-N -1 0 339.391 3.834 20 0 EHADRM C[C@@H](NC(=S)Nc1cc(F)c(C(=O)[O-])c(F)c1)c1cccs1 ZINC001593190911 994129001 /nfs/dbraw/zinc/12/90/01/994129001.db2.gz YMVPHCMJSOUFOM-SSDOTTSWSA-N -1 0 342.392 3.772 20 0 EHADRM CC(C)n1cc([C@@H](C)N[C@H](C(=O)[O-])c2c(F)cccc2Cl)cn1 ZINC001593190945 994130086 /nfs/dbraw/zinc/13/00/86/994130086.db2.gz ZGPCALJZOOFVBX-BMIGLBTASA-N -1 0 339.798 3.733 20 0 EHADRM C[C@@H](N[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl)c1ccccn1 ZINC001593196116 994153020 /nfs/dbraw/zinc/15/30/20/994153020.db2.gz UMKSOEBNIUWNJX-OTYXRUKQSA-N -1 0 325.195 3.865 20 0 EHADRM COc1ccc2c(c1)C[C@@H](Nc1cc(C(=O)[O-])cc3cccnc31)CC2 ZINC001599627120 994165073 /nfs/dbraw/zinc/16/50/73/994165073.db2.gz RWLOLKUEZMJLEQ-KRWDZBQOSA-N -1 0 348.402 3.911 20 0 EHADRM C[C@@H](N[C@@H](C)c1ccc(OCC(=O)[O-])cc1)c1c(F)cccc1F ZINC001593197916 994166128 /nfs/dbraw/zinc/16/61/28/994166128.db2.gz MGBUKTLXCQKDFK-NWDGAFQWSA-N -1 0 335.350 3.840 20 0 EHADRM COc1ccc2c(c1)N(Cc1cc(C(=O)[O-])ccc1OC)CCCC2 ZINC001599629509 994196678 /nfs/dbraw/zinc/19/66/78/994196678.db2.gz BQOQUNWVZTZTKA-UHFFFAOYSA-N -1 0 341.407 3.745 20 0 EHADRM C[C@@H](N[C@H](C)c1ccc(C(F)F)nc1)c1ncc(C(=O)[O-])s1 ZINC001593204927 994209798 /nfs/dbraw/zinc/20/97/98/994209798.db2.gz XREGLAWGJDNGGE-HTQZYQBOSA-N -1 0 327.356 3.586 20 0 EHADRM COc1ccc2cc(NC(=O)N[C@H]3CC[C@@H](CC(=O)[O-])C3)ccc2c1 ZINC001599634319 994263723 /nfs/dbraw/zinc/26/37/23/994263723.db2.gz ISVLSXMBAXBYMZ-DOMZBBRYSA-N -1 0 342.395 3.613 20 0 EHADRM COc1ccc2ccc(C(=O)N(C)C3(C(=O)[O-])CCCCC3)cc2c1 ZINC001599636756 994299191 /nfs/dbraw/zinc/29/91/91/994299191.db2.gz UVVZEQYZJRORQS-UHFFFAOYSA-N -1 0 341.407 3.708 20 0 EHADRM COc1cccc(-c2nnc(SCc3ccc(C(=O)[O-])s3)o2)c1 ZINC001599638519 994323819 /nfs/dbraw/zinc/32/38/19/994323819.db2.gz AKDRAWKLIMWXEZ-UHFFFAOYSA-N -1 0 348.405 3.797 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC001599643628 994393667 /nfs/dbraw/zinc/39/36/67/994393667.db2.gz MCIIPDWSEPMZIK-CVEARBPZSA-N -1 0 340.375 3.739 20 0 EHADRM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)[C@H]2CCC=CCCC2)c1 ZINC001599648715 994463029 /nfs/dbraw/zinc/46/30/29/994463029.db2.gz BXIUHHRNFZUAAK-MGPUTAFESA-N -1 0 345.439 3.638 20 0 EHADRM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)C2=CCC(C)(C)CC2)c1 ZINC001599649398 994472174 /nfs/dbraw/zinc/47/21/74/994472174.db2.gz JLGQOZIBVWGECD-HXUWFJFHSA-N -1 0 345.439 3.638 20 0 EHADRM COc1cccc([C@@H](C(=O)[O-])N(C)Cc2cc(OC)ccc2Cl)c1 ZINC001599649831 994480226 /nfs/dbraw/zinc/48/02/26/994480226.db2.gz IITQMXISLHCRCO-KRWDZBQOSA-N -1 0 349.814 3.615 20 0 EHADRM Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)C1(C(=O)[O-])CC1 ZINC000154860803 1015865546 /nfs/dbraw/zinc/86/55/46/1015865546.db2.gz FSRCCFKKPFRWRS-UHFFFAOYSA-N -1 0 343.354 3.516 20 0 EHADRM COc1cccc(/C(C)=C\C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c1 ZINC001599654103 994550885 /nfs/dbraw/zinc/55/08/85/994550885.db2.gz FZXOZDBLUMQROX-ZVHGMHCTSA-N -1 0 339.391 3.925 20 0 EHADRM COc1cccc(/C(C)=C\C(=O)Nc2cc(C)c(C(=O)[O-])s2)c1 ZINC001599654157 994551294 /nfs/dbraw/zinc/55/12/94/994551294.db2.gz ILIJQLPZTCLATD-YFHOEESVSA-N -1 0 331.393 3.805 20 0 EHADRM COc1cccc([C@@H](C)CCCC(=O)N(CC(=O)[O-])CC(C)C)c1 ZINC001599655692 994575902 /nfs/dbraw/zinc/57/59/02/994575902.db2.gz XEVJZZRAVIOJNZ-HNNXBMFYSA-N -1 0 335.444 3.538 20 0 EHADRM COc1cccc([C@@H](Sc2nnc(-c3ccoc3C)o2)C(=O)[O-])c1 ZINC001599662318 994675326 /nfs/dbraw/zinc/67/53/26/994675326.db2.gz XTBYURWEGYYDGU-CYBMUJFWSA-N -1 0 346.364 3.565 20 0 EHADRM C[C@@H](NCc1ccc(Cl)c(C(=O)[O-])n1)c1cc(F)c(F)c(F)c1 ZINC001593298393 994714016 /nfs/dbraw/zinc/71/40/16/994714016.db2.gz JOQHFTAJNPVPDD-SSDOTTSWSA-N -1 0 344.720 3.701 20 0 EHADRM COc1cccc(CN2CCc3c(F)ccc(C(=O)[O-])c3C2)c1Cl ZINC001599672548 994839488 /nfs/dbraw/zinc/83/94/88/994839488.db2.gz IEALXOADSOBITJ-UHFFFAOYSA-N -1 0 349.789 3.744 20 0 EHADRM COc1cccc(NC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c1 ZINC001599675824 994895776 /nfs/dbraw/zinc/89/57/76/994895776.db2.gz ASQJVUKEWLYJSI-JKSUJKDBSA-N -1 0 326.352 3.527 20 0 EHADRM CNc1ccc(Cl)c(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC001598679374 994901722 /nfs/dbraw/zinc/90/17/22/994901722.db2.gz FQSHQVMHVPWULW-UHFFFAOYSA-N -1 0 339.178 3.986 20 0 EHADRM C[C@@H](Nc1cc(C(=O)[O-])ccc1OCc1ccccc1)c1cnccn1 ZINC001593359993 995021166 /nfs/dbraw/zinc/02/11/66/995021166.db2.gz MDUBUYOGOMHWRT-CQSZACIVSA-N -1 0 349.390 3.927 20 0 EHADRM C[C@@H](Nc1cc(F)cc(OC(F)F)c1)c1ncc(C(=O)[O-])s1 ZINC001593360045 995021864 /nfs/dbraw/zinc/02/18/64/995021864.db2.gz NUNFEERPHHWQQQ-ZCFIWIBFSA-N -1 0 332.303 3.755 20 0 EHADRM C[C@@H](Nc1ccc(OC(F)(F)F)cc1)c1cncc(C(=O)[O-])c1 ZINC001593362431 995032003 /nfs/dbraw/zinc/03/20/03/995032003.db2.gz HLWGPJRBIVNCGD-SECBINFHSA-N -1 0 326.274 3.852 20 0 EHADRM C[C@@H](Nc1ccc(CCC(=O)[O-])cc1)[C@H]1COc2ccccc2C1 ZINC001593363530 995037330 /nfs/dbraw/zinc/03/73/30/995037330.db2.gz SFSCYXPFZITLOO-RHSMWYFYSA-N -1 0 325.408 3.756 20 0 EHADRM C[C@H](Nc1ccc2c(c1)[C@H](O)CCCC2)c1ncc(C(=O)[O-])s1 ZINC001593365931 995046493 /nfs/dbraw/zinc/04/64/93/995046493.db2.gz PBLIPBHKPOCODN-IINYFYTJSA-N -1 0 332.425 3.774 20 0 EHADRM C[C@@H](Nc1nccc(C(=O)[O-])n1)[C@H](C)c1ccccc1C(F)(F)F ZINC001593373459 995067161 /nfs/dbraw/zinc/06/71/61/995067161.db2.gz FFPZDROHOYGZOW-VHSXEESVSA-N -1 0 339.317 3.798 20 0 EHADRM Cc1ccc2c(CC(=O)N3CCC[C@@H](C(C)(C)C(=O)[O-])C3)coc2c1 ZINC000327068051 1015935144 /nfs/dbraw/zinc/93/51/44/1015935144.db2.gz QAURDBUMVMTHNE-OAHLLOKOSA-N -1 0 343.423 3.633 20 0 EHADRM COC(=O)[C@@H](SC[C@@H]1CC1(Cl)Cl)c1cccc(C(=O)[O-])c1 ZINC001598710931 995348168 /nfs/dbraw/zinc/34/81/68/995348168.db2.gz HTNKUXCQJQAWET-QWRGUYRKSA-N -1 0 349.235 3.526 20 0 EHADRM C[C@@H](OC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ncc(C(C)(C)C)o1 ZINC001593512781 995518339 /nfs/dbraw/zinc/51/83/39/995518339.db2.gz BKTDAEXOUCQYIR-BJPMOSCESA-N -1 0 333.340 3.581 20 0 EHADRM C[C@H](OC(=O)[C@@H]1SCCc2ccccc21)c1cc(C(=O)[O-])co1 ZINC001593515801 995542102 /nfs/dbraw/zinc/54/21/02/995542102.db2.gz PDNMMYBMBNBFFP-ZUZCIYMTSA-N -1 0 332.377 3.613 20 0 EHADRM C[C@@H](OC(=O)[C@@H]1CSC[C@H]1c1ccccc1)c1ccc(C(=O)[O-])o1 ZINC001593546869 995620808 /nfs/dbraw/zinc/62/08/08/995620808.db2.gz HVHJBMSCKJFTAD-KWCYVHTRSA-N -1 0 346.404 3.729 20 0 EHADRM C[C@H](OC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(F)c(C(F)(F)F)c1 ZINC001593547699 995624985 /nfs/dbraw/zinc/62/49/85/995624985.db2.gz PXXSHRAMEQQJCV-GDPRMGEGSA-N -1 0 348.292 3.950 20 0 EHADRM C[C@H](OC(=O)c1ccc(Cl)c(N)c1Cl)c1ccc(C(=O)[O-])o1 ZINC001593578420 995685952 /nfs/dbraw/zinc/68/59/52/995685952.db2.gz AGFVPUIRUYUIRP-LURJTMIESA-N -1 0 344.150 3.785 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)C1CCC1 ZINC001593612355 995815369 /nfs/dbraw/zinc/81/53/69/995815369.db2.gz QLOPKDZFHWBJSE-KGLIPLIRSA-N -1 0 347.455 3.606 20 0 EHADRM C[C@H](Oc1ccc(CNc2cccc(-c3cnco3)c2)cc1)C(=O)[O-] ZINC001593619454 995861515 /nfs/dbraw/zinc/86/15/15/995861515.db2.gz FMAOSJGYYZQQEH-ZDUSSCGKSA-N -1 0 338.363 3.806 20 0 EHADRM C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC001593635705 995933462 /nfs/dbraw/zinc/93/34/62/995933462.db2.gz XRFJAWMILUEZJX-VXGBXAGGSA-N -1 0 344.363 3.538 20 0 EHADRM C[C@H](Oc1cccc(Cl)c1)C(=O)O[C@H](C(=O)[O-])c1ccsc1 ZINC001593639621 995942176 /nfs/dbraw/zinc/94/21/76/995942176.db2.gz OBVWHPPPPOPTMZ-ZANVPECISA-N -1 0 340.784 3.538 20 0 EHADRM C[C@@H](Oc1cccc(Cl)c1)C(=O)OCc1ccsc1C(=O)[O-] ZINC001593639922 995943776 /nfs/dbraw/zinc/94/37/76/995943776.db2.gz ZUHSCXXBLCVOIN-SECBINFHSA-N -1 0 340.784 3.610 20 0 EHADRM C[C@H](Oc1ccccc1F)c1nnc([C@@H]2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001593651484 996012334 /nfs/dbraw/zinc/01/23/34/996012334.db2.gz NIKVLHUZAWRQET-QJPTWQEYSA-N -1 0 334.347 3.707 20 0 EHADRM C[C@H](S[C@@H](C(=O)[O-])c1ccccc1Cl)C(=O)OC(C)(C)C ZINC001593658586 996033149 /nfs/dbraw/zinc/03/31/49/996033149.db2.gz KFFIMFDMUWVHOY-JOYOIKCWSA-N -1 0 330.833 3.929 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC001593662647 996042662 /nfs/dbraw/zinc/04/26/62/996042662.db2.gz CBMUPLYAFMKLSS-CYBMUJFWSA-N -1 0 330.405 3.541 20 0 EHADRM C[C@@H](SCc1ccccc1OC(F)F)c1nc(C(=O)[O-])co1 ZINC001593663975 996047641 /nfs/dbraw/zinc/04/76/41/996047641.db2.gz VKVDLNJQABQALW-MRVPVSSYSA-N -1 0 329.324 3.969 20 0 EHADRM C[C@H](Sc1nnc(-c2ccccc2F)n1C)c1ccc(C(=O)[O-])o1 ZINC001593678706 996094945 /nfs/dbraw/zinc/09/49/45/996094945.db2.gz XPQUYWRSMZCYEG-VIFPVBQESA-N -1 0 347.371 3.766 20 0 EHADRM C[C@H](Sc1nc(-c2ccccc2)cs1)C(=O)C(C)(C)C(=O)[O-] ZINC001593680427 996108820 /nfs/dbraw/zinc/10/88/20/996108820.db2.gz ZOFDFKZHAXSIPS-JTQLQIEISA-N -1 0 335.450 3.971 20 0 EHADRM C[C@@H](c1c(F)cccc1F)N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001593687321 996127574 /nfs/dbraw/zinc/12/75/74/996127574.db2.gz RFKZEUHYWUHGAQ-LPEHRKFASA-N -1 0 337.288 3.611 20 0 EHADRM C[C@H](c1ccccc1)N(C(=O)c1cc(C(=O)[O-])ccn1)c1ccccn1 ZINC001593704833 996185187 /nfs/dbraw/zinc/18/51/87/996185187.db2.gz CVQOHKLHXMKANR-CQSZACIVSA-N -1 0 347.374 3.583 20 0 EHADRM C[C@@H](c1nc2ccccc2s1)N(C)Cc1ncc(C(=O)[O-])s1 ZINC001593733837 996320685 /nfs/dbraw/zinc/32/06/85/996320685.db2.gz MPMSKSNAQCCPMF-VIFPVBQESA-N -1 0 333.438 3.644 20 0 EHADRM C[C@H](c1ncc(C(=O)[O-])s1)N1CCc2c(F)cc(F)cc2[C@H]1C ZINC001593738326 996345074 /nfs/dbraw/zinc/34/50/74/996345074.db2.gz ZKJCFJNXPUFVGT-RKDXNWHRSA-N -1 0 338.379 3.800 20 0 EHADRM Cc1cc(C)cc(N(C)C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])c1 ZINC000180684842 1016025457 /nfs/dbraw/zinc/02/54/57/1016025457.db2.gz NALUTXVXXJLFOR-UHFFFAOYSA-N -1 0 339.370 3.610 20 0 EHADRM Cc1cccc(F)c1NS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000180743418 1016034689 /nfs/dbraw/zinc/03/46/89/1016034689.db2.gz JRGKHDLXOOZSAS-UHFFFAOYSA-N -1 0 349.305 3.834 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2ncc(-c3ccccc3)s2)C1 ZINC001593771677 996466074 /nfs/dbraw/zinc/46/60/74/996466074.db2.gz VZTKCZNKVGUGJC-QGZVFWFLSA-N -1 0 345.424 3.529 20 0 EHADRM CC(C)(C)c1ccc2[nH]c(C(=O)N3CCC[C@](C)(C(=O)[O-])C3)cc2c1 ZINC001593772564 996467972 /nfs/dbraw/zinc/46/79/72/996467972.db2.gz FVWDQCULJFMFBQ-FQEVSTJZSA-N -1 0 342.439 3.792 20 0 EHADRM C[C@]1(C(F)(F)F)CCN(c2ncc(C(=O)[O-])cc2C(F)(F)F)C1 ZINC001593817218 996558503 /nfs/dbraw/zinc/55/85/03/996558503.db2.gz WNKIVYRJCUHZTE-NSHDSACASA-N -1 0 342.239 3.577 20 0 EHADRM CC1(C)C[C@H](C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c2ccccc2O1 ZINC001593848328 996619550 /nfs/dbraw/zinc/61/95/50/996619550.db2.gz PABICJTWLNIGOU-AWEZNQCLSA-N -1 0 343.354 3.807 20 0 EHADRM CC1(C)C[C@H](C(=O)Nc2ccsc2C(=O)[O-])c2ccccc2O1 ZINC001593848747 996621209 /nfs/dbraw/zinc/62/12/09/996621209.db2.gz YWTVLSZVHQAONZ-NSHDSACASA-N -1 0 331.393 3.730 20 0 EHADRM CC1(C)C[C@H](NC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)c2ccccc21 ZINC001593857521 996645173 /nfs/dbraw/zinc/64/51/73/996645173.db2.gz VPMAXGORAZKVKP-NPPFBWRTSA-N -1 0 349.430 3.784 20 0 EHADRM CC1(C)CCC(=CC(=O)N2CCOc3ccccc3[C@H]2C(=O)[O-])CC1 ZINC001593871509 996684469 /nfs/dbraw/zinc/68/44/69/996684469.db2.gz WMHCPMWXXVERME-SFHVURJKSA-N -1 0 343.423 3.560 20 0 EHADRM CC1(C)CCC(CC(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)CC1 ZINC001593874140 996688309 /nfs/dbraw/zinc/68/83/09/996688309.db2.gz MBYSBKPLEUCFJW-QZTJIDSGSA-N -1 0 343.467 3.920 20 0 EHADRM CC1(C)CC[C@H](C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)[C@@H](c2ccccc2)C1 ZINC001593874294 996689121 /nfs/dbraw/zinc/68/91/21/996689121.db2.gz JEOPJNKEHDMOEZ-LUKYLMHMSA-N -1 0 329.440 3.576 20 0 EHADRM CC1(C)CCC(C)(CNC(=O)NCc2ccc(C(=O)[O-])s2)CC1 ZINC001593874392 996689810 /nfs/dbraw/zinc/68/98/10/996689810.db2.gz RMUSZXFKURVUMB-UHFFFAOYSA-N -1 0 338.473 3.852 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)C23CCC(C(=O)[O-])(CC2)C3)c2ccccc21 ZINC001593879567 996708011 /nfs/dbraw/zinc/70/80/11/996708011.db2.gz IPBUZPYKPHOHIU-YMTQGWHGSA-N -1 0 341.451 3.950 20 0 EHADRM CC1(C)CC[C@@H]1C(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001593883765 996718131 /nfs/dbraw/zinc/71/81/31/996718131.db2.gz SLUGZZVXBHJJPD-CHWSQXEVSA-N -1 0 343.345 3.774 20 0 EHADRM CC1(C)CCC[C@@H](CNC(=O)Cn2cc(C(=O)[O-])c3ccccc32)C1 ZINC001593884371 996720827 /nfs/dbraw/zinc/72/08/27/996720827.db2.gz CGRGIGAWCZRWCJ-CQSZACIVSA-N -1 0 342.439 3.672 20 0 EHADRM CC1(C)CCC[C@](NC(=O)C/C=C\Cc2ccccc2)(C(=O)[O-])C1 ZINC001593892481 996741046 /nfs/dbraw/zinc/74/10/46/996741046.db2.gz RTXJIMGFDJPITN-PXDRNWIDSA-N -1 0 329.440 3.715 20 0 EHADRM CC1(C)CCC[C@](NC(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)(C(=O)[O-])C1 ZINC001593892552 996741546 /nfs/dbraw/zinc/74/15/46/996741546.db2.gz UFJMIAIAJVXLSB-GQIGUUNPSA-N -1 0 347.430 3.859 20 0 EHADRM CC1(C)CCC[C@@](NC(=O)c2cc(F)cc(Cl)c2)(C(=O)[O-])C1 ZINC001593892573 996741827 /nfs/dbraw/zinc/74/18/27/996741827.db2.gz OKZYSMXAIYJHSR-INIZCTEOSA-N -1 0 327.783 3.633 20 0 EHADRM CC1(C)CCC[C@](NC(=O)c2cc(F)cc(Cl)c2)(C(=O)[O-])C1 ZINC001593892574 996742064 /nfs/dbraw/zinc/74/20/64/996742064.db2.gz OKZYSMXAIYJHSR-MRXNPFEDSA-N -1 0 327.783 3.633 20 0 EHADRM CC1(C)CCC[C@H]1[C@H]1CCN(C(=O)Cc2ccccc2C(=O)[O-])C1 ZINC001593898793 996761953 /nfs/dbraw/zinc/76/19/53/996761953.db2.gz WUKKNGPSYLUECA-RDJZCZTQSA-N -1 0 329.440 3.602 20 0 EHADRM CC1(C)CCCC[C@@H]1C(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001593905043 996784825 /nfs/dbraw/zinc/78/48/25/996784825.db2.gz MZKVQXCHTWQIAQ-HZPDHXFCSA-N -1 0 343.423 3.761 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)Cc1csc2ccccc12 ZINC001599379151 996803734 /nfs/dbraw/zinc/80/37/34/996803734.db2.gz WRTGCZJOXCTLDO-UHFFFAOYSA-N -1 0 342.372 3.756 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)c1ccc(-c2cccs2)o1 ZINC001599379447 996807848 /nfs/dbraw/zinc/80/78/48/996807848.db2.gz PXAPKIPQNKNYQH-UHFFFAOYSA-N -1 0 344.344 3.934 20 0 EHADRM COc1ccc(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)cc1C ZINC001599485776 996846514 /nfs/dbraw/zinc/84/65/14/996846514.db2.gz MMDHBCRKZDCJFK-UHFFFAOYSA-N -1 0 337.734 3.747 20 0 EHADRM COCc1c2ccccc2oc1C(=O)Nc1cc(C(=O)[O-])sc1C ZINC001599278594 996853280 /nfs/dbraw/zinc/85/32/80/996853280.db2.gz PGVXHAWNMLMMNP-UHFFFAOYSA-N -1 0 345.376 3.900 20 0 EHADRM COCc1c(Cl)cccc1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001599279146 996863949 /nfs/dbraw/zinc/86/39/49/996863949.db2.gz TWQMMGHKJIRAPX-UHFFFAOYSA-N -1 0 348.786 3.506 20 0 EHADRM COc1ccc(C(=O)Nc2nc(C)c(C(=O)[O-])s2)c2ccccc12 ZINC001599487594 996879611 /nfs/dbraw/zinc/87/96/11/996879611.db2.gz UPPHCAMTXFOILH-UHFFFAOYSA-N -1 0 342.376 3.564 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)C[C@H](C)c2cccc(F)c2)c1F ZINC001599487858 996884001 /nfs/dbraw/zinc/88/40/01/996884001.db2.gz LVGXALHFIRVEGE-JTQLQIEISA-N -1 0 349.333 3.804 20 0 EHADRM COc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)cc1C ZINC001599488614 996897999 /nfs/dbraw/zinc/89/79/99/996897999.db2.gz PHLWRRABXHZOLJ-UHFFFAOYSA-N -1 0 331.393 3.504 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccc(F)cc2C(=O)[O-])[C@@H]1c1cccnc1 ZINC001593934282 996899216 /nfs/dbraw/zinc/89/92/16/996899216.db2.gz BZDPZSXMDIKOKE-OAHLLOKOSA-N -1 0 343.358 3.534 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CC(C)(C)C1 ZINC001593934485 996900460 /nfs/dbraw/zinc/90/04/60/996900460.db2.gz LWSMFEWMACJQEP-UHFFFAOYSA-N -1 0 340.370 3.953 20 0 EHADRM COCc1cc(NC(=O)C2[C@@H]3CCCCCC[C@@H]23)cc(C(=O)[O-])c1 ZINC001599283843 996940668 /nfs/dbraw/zinc/94/06/68/996940668.db2.gz GUHLHTHNHAMIMM-HZPDHXFCSA-N -1 0 331.412 3.686 20 0 EHADRM COCc1cc(NC(=O)/C=C/CCc2ccccc2)cc(C(=O)[O-])c1 ZINC001599284363 996949418 /nfs/dbraw/zinc/94/94/18/996949418.db2.gz QZSNTCXRKHMTMC-UXBLZVDNSA-N -1 0 339.391 3.659 20 0 EHADRM COCc1cc(NC(=O)N(CC(C)C)C2CCCC2)cc(C(=O)[O-])c1 ZINC001599284900 996959215 /nfs/dbraw/zinc/95/92/15/996959215.db2.gz JMLNWMBKEMEDBX-UHFFFAOYSA-N -1 0 348.443 3.964 20 0 EHADRM COc1cc(C(C)=O)ccc1OCc1c(Cl)cccc1C(=O)[O-] ZINC001599388817 996995339 /nfs/dbraw/zinc/99/53/39/996995339.db2.gz SGTYJNMPDMSCSP-UHFFFAOYSA-N -1 0 334.755 3.828 20 0 EHADRM COCc1cc(N[C@@H]2C[C@H](OC(C)(C)C)C2(C)C)cc(C(=O)[O-])c1 ZINC001599288240 997018862 /nfs/dbraw/zinc/01/88/62/997018862.db2.gz RZRPHUSQRQHHRR-CVEARBPZSA-N -1 0 335.444 3.925 20 0 EHADRM COCc1cc(N[C@@H](C)Cc2ccccc2OC)cc(C(=O)[O-])c1 ZINC001599288234 997019146 /nfs/dbraw/zinc/01/91/46/997019146.db2.gz RTXFFVUJNLFSSI-ZDUSSCGKSA-N -1 0 329.396 3.583 20 0 EHADRM COc1cc(C)c([C@H](C)OC(=O)/C=C\c2cc(C(=O)[O-])co2)cc1C ZINC001599390804 997031899 /nfs/dbraw/zinc/03/18/99/997031899.db2.gz POMYMBRSADDRCO-SZZPACECSA-N -1 0 344.363 3.921 20 0 EHADRM COCc1cc(NCc2nc(-c3ccccc3)c[nH]2)cc(C(=O)[O-])c1 ZINC001599289759 997044918 /nfs/dbraw/zinc/04/49/18/997044918.db2.gz VLRWRLZAMKUXKD-UHFFFAOYSA-N -1 0 337.379 3.533 20 0 EHADRM CC1(C)CO[C@@H](CCC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC001593954641 997045713 /nfs/dbraw/zinc/04/57/13/997045713.db2.gz MXAAGSIQGQLFSH-ZDUSSCGKSA-N -1 0 325.792 3.572 20 0 EHADRM COc1cc(C)cc(C(=O)OCc2cc(C(=O)[O-])ccc2C)c1C ZINC001599391590 997046949 /nfs/dbraw/zinc/04/69/49/997046949.db2.gz DAYNUMCRHVWPST-UHFFFAOYSA-N -1 0 328.364 3.676 20 0 EHADRM CC1(C)CO[C@@H](CNC(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)C1 ZINC001593959032 997068877 /nfs/dbraw/zinc/06/88/77/997068877.db2.gz JSFOCFCUPOJMQM-GFCCVEGCSA-N -1 0 348.424 3.536 20 0 EHADRM CC1(C)Cc2ccc(Cl)cc2[C@H]1OC(=O)c1cc(C(=O)[O-])ccn1 ZINC001593964376 997095549 /nfs/dbraw/zinc/09/55/49/997095549.db2.gz ASNHDZNQHXPSNY-OAHLLOKOSA-N -1 0 345.782 3.914 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)C[C@@H]1CCCC[C@H]1C ZINC001599396253 997131807 /nfs/dbraw/zinc/13/18/07/997131807.db2.gz MAKUXHYIBCUMJU-VLODSAPTSA-N -1 0 332.396 3.915 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001599396423 997134180 /nfs/dbraw/zinc/13/41/80/997134180.db2.gz NOPJUZGJMLTWNY-WRGNIKGISA-N -1 0 330.380 3.525 20 0 EHADRM COC1(CCSCC(=O)c2c[nH]c3ccc(C(=O)[O-])cc32)CCC1 ZINC001599089167 997158726 /nfs/dbraw/zinc/15/87/26/997158726.db2.gz QPMSRQOQMSDSJG-UHFFFAOYSA-N -1 0 347.436 3.741 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)C[C@@H]1CCC[C@H](C)C1 ZINC001599398210 997167762 /nfs/dbraw/zinc/16/77/62/997167762.db2.gz ZIQMQYNJSBLPDO-UMNYSTRASA-N -1 0 332.396 3.915 20 0 EHADRM COCc1csc(CNc2nc(C(F)(F)F)ccc2C(=O)[O-])c1 ZINC001599299023 997199735 /nfs/dbraw/zinc/19/97/35/997199735.db2.gz BMIAXPMIMAQWIU-UHFFFAOYSA-N -1 0 346.330 3.619 20 0 EHADRM COC1(CNc2ncc(C(=O)[O-])cc2C(F)(F)F)CCCCCC1 ZINC001599091709 997203801 /nfs/dbraw/zinc/20/38/01/997203801.db2.gz IOVCTYHGZPHLCO-UHFFFAOYSA-N -1 0 346.349 3.950 20 0 EHADRM CC1(C)SC[C@H]1NC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001593982091 997210410 /nfs/dbraw/zinc/21/04/10/997210410.db2.gz MTGRDNNGPYHVSI-LLVKDONJSA-N -1 0 336.438 3.615 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1Oc1nc(C(C)(C)C)ns1 ZINC001599401074 997216416 /nfs/dbraw/zinc/21/64/16/997216416.db2.gz VUOOYPBQWZYPOX-SOFGYWHQSA-N -1 0 334.397 3.734 20 0 EHADRM COCc1nc(CNc2c(C)c(C(=O)[O-])ccc2Cl)cs1 ZINC001599300439 997222160 /nfs/dbraw/zinc/22/21/60/997222160.db2.gz COBYIPVEEJXGQA-UHFFFAOYSA-N -1 0 326.805 3.562 20 0 EHADRM CC1(C)[C@@H](c2ccccc2)[C@@H]1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001593987942 997237154 /nfs/dbraw/zinc/23/71/54/997237154.db2.gz JYKKWRYYNVYITO-ROUUACIJSA-N -1 0 329.440 3.720 20 0 EHADRM C[C@@]1(C2CCCCC2)CCN1C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001593992282 997266912 /nfs/dbraw/zinc/26/69/12/997266912.db2.gz GOKYXPSCFFAUKV-SFHVURJKSA-N -1 0 336.476 3.776 20 0 EHADRM CON(C(=O)/C(C)=C/c1c(Cl)cccc1Cl)[C@H](C)CC(=O)[O-] ZINC001599309306 997385976 /nfs/dbraw/zinc/38/59/76/997385976.db2.gz CEOVKAQVOHTFDA-TTZKWOQHSA-N -1 0 346.210 3.650 20 0 EHADRM CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001599318258 997535989 /nfs/dbraw/zinc/53/59/89/997535989.db2.gz XYCXONHSPNEHQC-HUUCEWRRSA-N -1 0 325.449 3.628 20 0 EHADRM CO[C@@H](C(=O)Nc1c(C)c(C(=O)[O-])ccc1Cl)c1ccccc1 ZINC001599319529 997556039 /nfs/dbraw/zinc/55/60/39/997556039.db2.gz CBEASSAWJDZHJL-OAHLLOKOSA-N -1 0 333.771 3.673 20 0 EHADRM COc1cc(Cl)c(CNCc2cc(C)c(C(=O)[O-])o2)cc1Cl ZINC001599419033 997561953 /nfs/dbraw/zinc/56/19/53/997561953.db2.gz SGXOGWWIRNZCPL-UHFFFAOYSA-N -1 0 344.194 3.891 20 0 EHADRM CO[C@@H]1CCC[C@@H](CC(=O)Nc2ccc(Cl)cc2C(=O)[O-])C1 ZINC001599113451 997611380 /nfs/dbraw/zinc/61/13/80/997611380.db2.gz TZWRTZNITBGWEB-ZYHUDNBSSA-N -1 0 325.792 3.572 20 0 EHADRM O=C(CCOCC(F)(F)F)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000220326372 1016143006 /nfs/dbraw/zinc/14/30/06/1016143006.db2.gz XIAXINGRHQRKOH-UHFFFAOYSA-N -1 0 332.105 3.607 20 0 EHADRM COCC[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)c2ccccc21 ZINC001599220792 997664589 /nfs/dbraw/zinc/66/45/89/997664589.db2.gz OWOQICFFFBIRBB-BEFAXECRSA-N -1 0 325.408 3.843 20 0 EHADRM CO[C@H]1CCN(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)[C@@H](C)C1 ZINC001599118413 997695053 /nfs/dbraw/zinc/69/50/53/997695053.db2.gz ZFGFDSCWXTZSSL-WFASDCNBSA-N -1 0 342.395 3.569 20 0 EHADRM CO[C@@H]1CCN(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)[C@H](C)C1 ZINC001599118411 997695696 /nfs/dbraw/zinc/69/56/96/997695696.db2.gz ZFGFDSCWXTZSSL-IUODEOHRSA-N -1 0 342.395 3.569 20 0 EHADRM COc1ccc([C@H](OC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C2CC2)c(C)c1 ZINC001599534629 997720355 /nfs/dbraw/zinc/72/03/55/997720355.db2.gz RTVQHKVMUVCNRS-HDMKZQKVSA-N -1 0 346.423 3.889 20 0 EHADRM COc1ccc([C@H](OC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)C2CC2)c(C)c1 ZINC001599534634 997721067 /nfs/dbraw/zinc/72/10/67/997721067.db2.gz RTVQHKVMUVCNRS-RVKKMQEKSA-N -1 0 346.423 3.889 20 0 EHADRM C[C@@]1(NC(=O)C2(Cc3ccc(Cl)cc3)CC2)CCCC[C@H]1C(=O)[O-] ZINC001594052071 997752645 /nfs/dbraw/zinc/75/26/45/997752645.db2.gz LJUIABIQSZBRQT-MAUKXSAKSA-N -1 0 349.858 3.812 20 0 EHADRM COc1ccc(C2(C(=O)Nc3cc(C(=O)[O-])sc3C)CCC2)cc1 ZINC001599536528 997753679 /nfs/dbraw/zinc/75/36/79/997753679.db2.gz CGLBCALYVQMDQW-UHFFFAOYSA-N -1 0 345.420 3.824 20 0 EHADRM COc1cc(NC(=O)[C@@H]2CCCC(C)(C)C2)c(C(=O)[O-])cc1OC ZINC001599431056 997759048 /nfs/dbraw/zinc/75/90/48/997759048.db2.gz CEZUQERTECXZLK-LLVKDONJSA-N -1 0 335.400 3.557 20 0 EHADRM COc1c(NC(=O)N(C)[C@H](C)c2ccccc2C)cccc1C(=O)[O-] ZINC001599338505 997880298 /nfs/dbraw/zinc/88/02/98/997880298.db2.gz OBJPIBMMAQRQAP-CYBMUJFWSA-N -1 0 342.395 3.927 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NCCc1cccc(-c2ccccc2)c1 ZINC000683320807 1016163521 /nfs/dbraw/zinc/16/35/21/1016163521.db2.gz VTQRTUIUZLFGMT-UHFFFAOYSA-N -1 0 339.435 3.903 20 0 EHADRM COc1cc(NC(=O)N[C@@H](C)CCCC(F)(F)F)ccc1C(=O)[O-] ZINC001599438431 997891077 /nfs/dbraw/zinc/89/10/77/997891077.db2.gz XDMPDPHXZIDSSO-VIFPVBQESA-N -1 0 348.321 3.636 20 0 EHADRM COC(=O)c1cc(NC(=O)C[C@H](C)CC(C)(C)C)cc(C(=O)[O-])c1 ZINC001598937719 997901151 /nfs/dbraw/zinc/90/11/51/997901151.db2.gz HDBCHXYYKJDASF-NSHDSACASA-N -1 0 335.400 3.572 20 0 EHADRM CC1(c2cc(NC(=O)NC3(CC(=O)[O-])CCCCC3)no2)CCCC1 ZINC001594069922 997905144 /nfs/dbraw/zinc/90/51/44/997905144.db2.gz VVOKXIDDWYGHMV-UHFFFAOYSA-N -1 0 349.431 3.805 20 0 EHADRM COc1c(NC(=O)N2CCC3(CCCCC3)CC2)cccc1C(=O)[O-] ZINC001599340756 997918760 /nfs/dbraw/zinc/91/87/60/997918760.db2.gz UANQFQTVCOCLLD-UHFFFAOYSA-N -1 0 346.427 3.972 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1ccc2ncccc2c1 ZINC001599545746 997920024 /nfs/dbraw/zinc/92/00/24/997920024.db2.gz QACUUECCGUQPFB-WEVVVXLNSA-N -1 0 349.342 3.560 20 0 EHADRM C[C@]1(c2ccccc2)CCCN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001594079784 997973779 /nfs/dbraw/zinc/97/37/79/997973779.db2.gz SESHVEDEFIOVIL-QGZVFWFLSA-N -1 0 330.409 3.989 20 0 EHADRM COc1c(NC[C@@H]2CCCC[C@@H]2c2ccccc2)ncnc1C(=O)[O-] ZINC001599344613 997981093 /nfs/dbraw/zinc/98/10/93/997981093.db2.gz LJOGAGKYZUBVHO-LSDHHAIUSA-N -1 0 341.411 3.569 20 0 EHADRM COc1c(O)cccc1/C=C(\C(=O)[O-])c1nc(C(C)(C)C)cs1 ZINC001599344707 997982357 /nfs/dbraw/zinc/98/23/57/997982357.db2.gz NBPMEBXOGXDACX-FLIBITNWSA-N -1 0 333.409 3.780 20 0 EHADRM COc1cc(OC(=O)[C@H](C)CCCc2ccccc2)ccc1C(=O)[O-] ZINC001599446142 998012849 /nfs/dbraw/zinc/01/28/49/998012849.db2.gz ODNMFYATBFXYNK-CQSZACIVSA-N -1 0 342.391 3.958 20 0 EHADRM COc1cc(OC(=O)[C@@H](C)CCCc2ccccc2)ccc1C(=O)[O-] ZINC001599446140 998012912 /nfs/dbraw/zinc/01/29/12/998012912.db2.gz ODNMFYATBFXYNK-AWEZNQCLSA-N -1 0 342.391 3.958 20 0 EHADRM COC(=O)c1cc(NCc2ccc(C(=O)[O-])c(F)c2)c(C)cc1C ZINC001598948492 998100316 /nfs/dbraw/zinc/10/03/16/998100316.db2.gz SEUQHCGJMDGAQB-UHFFFAOYSA-N -1 0 331.343 3.539 20 0 EHADRM CC1=C(C(=O)[O-])C[C@@H](COc2c(C=O)cc(Cl)c3ccccc32)O1 ZINC001594106991 998170574 /nfs/dbraw/zinc/17/05/74/998170574.db2.gz PVNLESHLCOUBEC-LBPRGKRZSA-N -1 0 346.766 3.832 20 0 EHADRM CC1=C(C)C[C@](C)(C(=O)N2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)CC1 ZINC001594109195 998190634 /nfs/dbraw/zinc/19/06/34/998190634.db2.gz GORRYWKPVSQNMZ-WOSRLPQWSA-N -1 0 347.377 3.625 20 0 EHADRM CC1=C(C)C[C@@](C)(C(=O)N2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)CC1 ZINC001594109197 998190817 /nfs/dbraw/zinc/19/08/17/998190817.db2.gz GORRYWKPVSQNMZ-ZENOOKHLSA-N -1 0 347.377 3.625 20 0 EHADRM CC1=C(C)C[C@](C)(C(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)CC1 ZINC001594109859 998198531 /nfs/dbraw/zinc/19/85/31/998198531.db2.gz MVRSVETUWQXPFN-RTWAWAEBSA-N -1 0 341.451 3.768 20 0 EHADRM CC1=C(C)C[C@@](C)(C(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)CC1 ZINC001594109857 998198896 /nfs/dbraw/zinc/19/88/96/998198896.db2.gz MVRSVETUWQXPFN-LEWJYISDSA-N -1 0 341.451 3.768 20 0 EHADRM COc1cc(OCc2cc(C(=O)[O-])c(C)o2)ccc1Br ZINC001599456637 998199421 /nfs/dbraw/zinc/19/94/21/998199421.db2.gz HEVNANICXJYJBQ-UHFFFAOYSA-N -1 0 341.157 3.636 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)c2ccccc2CC(C)C)c1O ZINC001599361387 998266920 /nfs/dbraw/zinc/26/69/20/998266920.db2.gz GQPAUKPADFHXGX-UHFFFAOYSA-N -1 0 343.379 3.550 20 0 EHADRM COc1ccc(CNC(=O)C[C@@H]2CCCCC2(C)C)cc1C(=O)[O-] ZINC001599565601 998280604 /nfs/dbraw/zinc/28/06/04/998280604.db2.gz SHZREVVCYRUNDX-AWEZNQCLSA-N -1 0 333.428 3.616 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@H]1c1cccs1 ZINC001599370703 998404061 /nfs/dbraw/zinc/40/40/61/998404061.db2.gz HRRQVMMEOLHOCZ-ZDUSSCGKSA-N -1 0 346.408 3.824 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)c1cc2ccccc2o1 ZINC001599371061 998410131 /nfs/dbraw/zinc/41/01/31/998410131.db2.gz NWUXLDVEGQQSFA-LLVKDONJSA-N -1 0 339.347 3.882 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)NC1CCC(C2CCC2)CC1 ZINC001599372412 998431770 /nfs/dbraw/zinc/43/17/70/998431770.db2.gz HWFXRVACVZWDJW-UHFFFAOYSA-N -1 0 346.427 3.874 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)Nc1ccccc1-c1cccs1 ZINC001594156919 998573309 /nfs/dbraw/zinc/57/33/09/998573309.db2.gz OZKFQLNXAJBHND-VXGBXAGGSA-N -1 0 330.409 3.742 20 0 EHADRM C[C@@H]1[C@@H](C(=O)Oc2ccc(C(=O)[O-])cc2Cl)[C@H]1c1ccccc1 ZINC001594174716 998670209 /nfs/dbraw/zinc/67/02/09/998670209.db2.gz TUOZEFKWDVCHRN-AMKSKSKJSA-N -1 0 330.767 3.993 20 0 EHADRM COC(=O)c1ccc(NC(=O)c2ccccc2C(C)C)cc1C(=O)[O-] ZINC001598983505 998680021 /nfs/dbraw/zinc/68/00/21/998680021.db2.gz KZVSTFVQJFOYOG-UHFFFAOYSA-N -1 0 341.363 3.547 20 0 EHADRM COC(=O)c1cccc([C@@H](SCc2ccccc2C)C(=O)[O-])c1 ZINC001598992837 998752879 /nfs/dbraw/zinc/75/28/79/998752879.db2.gz JRBQGRWKPDXZNX-MRXNPFEDSA-N -1 0 330.405 3.841 20 0 EHADRM COC(=O)c1cccc(OCc2c3ccccc3sc2C(=O)[O-])c1 ZINC001598999264 998809298 /nfs/dbraw/zinc/80/92/98/998809298.db2.gz RRLJYFOBAXEDKV-UHFFFAOYSA-N -1 0 342.372 3.965 20 0 EHADRM C[C@@H]1CC(C)(C)c2cccc(NC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)c21 ZINC001594217717 998839424 /nfs/dbraw/zinc/83/94/24/998839424.db2.gz XPRXAJJQUOMETP-UPJWGTAASA-N -1 0 330.428 3.846 20 0 EHADRM C[C@H]1CC(C)(C)c2cccc(NC(=O)NC3(CC(=O)[O-])CCC3)c21 ZINC001594217762 998839729 /nfs/dbraw/zinc/83/97/29/998839729.db2.gz YIGIJVGYUGQFKQ-LBPRGKRZSA-N -1 0 330.428 3.990 20 0 EHADRM C[C@@H]1C[C@@H](CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])CC(C)(C)C1 ZINC001594232652 998887031 /nfs/dbraw/zinc/88/70/31/998887031.db2.gz OSCCBDCOJNBOFH-VKJFTORMSA-N -1 0 343.467 3.877 20 0 EHADRM C[C@H]1C[C@H](CCNC(=O)C23CCC(C(=O)[O-])(CC2)C3)CC(C)(C)C1 ZINC001594232826 998888365 /nfs/dbraw/zinc/88/83/65/998888365.db2.gz SEBVDJDJBOHOHE-XSYNCLLFSA-N -1 0 335.488 3.990 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc(F)cc2OC2CCCC2)CCC1 ZINC000683339299 1016261707 /nfs/dbraw/zinc/26/17/07/1016261707.db2.gz JJVIFRYKGYKCQM-UHFFFAOYSA-N -1 0 335.375 3.731 20 0 EHADRM C[C@H]1CC(F)(F)CCN1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001594245621 998938437 /nfs/dbraw/zinc/93/84/37/998938437.db2.gz NCCRVUYAZUKFIQ-NSHDSACASA-N -1 0 340.370 3.700 20 0 EHADRM COC(=O)c1sc2ccccc2c1COc1cccc(C(=O)[O-])c1 ZINC001599022849 998994619 /nfs/dbraw/zinc/99/46/19/998994619.db2.gz XCTARGFDLVGSRA-UHFFFAOYSA-N -1 0 342.372 3.965 20 0 EHADRM C[C@@H]1C[C@H](NC(=O)c2ccc(C(=O)[O-])o2)C[C@@H](c2ccccc2)C1 ZINC001594260039 999000862 /nfs/dbraw/zinc/00/08/62/999000862.db2.gz LIKCHYOUNOZNAD-QEJZJMRPSA-N -1 0 327.380 3.680 20 0 EHADRM CO[C@@H](C(=O)Nc1ccc(C(=O)[O-])c2ccccc12)C1CCCC1 ZINC001599026745 999021559 /nfs/dbraw/zinc/02/15/59/999021559.db2.gz LUWNIGHUEVRLAW-QGZVFWFLSA-N -1 0 327.380 3.682 20 0 EHADRM CO[C@H](C(=O)[O-])c1ccccc1OCCOc1cc(C)cc(C)c1 ZINC001599027121 999024196 /nfs/dbraw/zinc/02/41/96/999024196.db2.gz QYQFGTXSBKKALZ-SFHVURJKSA-N -1 0 330.380 3.533 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ccc(C(=O)[O-])cn2)C1 ZINC001594270689 999046418 /nfs/dbraw/zinc/04/64/18/999046418.db2.gz YVCPHBVTNQCMMG-IAQYHMDHSA-N -1 0 343.358 3.534 20 0 EHADRM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1 ZINC001594274661 999061063 /nfs/dbraw/zinc/06/10/63/999061063.db2.gz BXHPLDUVDQVKAD-HYNSBDGHSA-N -1 0 342.420 3.739 20 0 EHADRM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)[O-] ZINC001594275143 999064361 /nfs/dbraw/zinc/06/43/61/999064361.db2.gz NLOXDBYHSRAGDY-XGEHTFHBSA-N -1 0 328.195 3.922 20 0 EHADRM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC001594286507 999109048 /nfs/dbraw/zinc/10/90/48/999109048.db2.gz ROLXUQBRFNENAA-WBOJAVRRSA-N -1 0 331.412 3.551 20 0 EHADRM CO[C@H](C)CN(C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-])C(C)C ZINC001599040665 999115738 /nfs/dbraw/zinc/11/57/38/999115738.db2.gz ULDFZAZTYHNRTD-CYBMUJFWSA-N -1 0 336.432 3.785 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001594291982 999126245 /nfs/dbraw/zinc/12/62/45/999126245.db2.gz INNARQBXJRFPRE-NRUUGDAUSA-N -1 0 337.807 3.618 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)Nc2ccc(Br)cc2C(=O)[O-])C1 ZINC001594297182 999146239 /nfs/dbraw/zinc/14/62/39/999146239.db2.gz SRJITWAJXFJMMV-DTWKUNHWSA-N -1 0 326.190 3.522 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001594297725 999148770 /nfs/dbraw/zinc/14/87/70/999148770.db2.gz ZNMOMXZOMBJNBA-YKTARERQSA-N -1 0 338.492 3.591 20 0 EHADRM C[C@@H]1CC[C@@H](CNC(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC001594307569 999188191 /nfs/dbraw/zinc/18/81/91/999188191.db2.gz BPFVOVQFQGNMLM-ZIAGYGMSSA-N -1 0 345.443 3.543 20 0 EHADRM C[C@H]1CC[C@H](CNC(=O)Nc2cccc(SCCC(=O)[O-])c2)C1 ZINC001594309116 999193466 /nfs/dbraw/zinc/19/34/66/999193466.db2.gz SJTKEVPWILIZDJ-STQMWFEESA-N -1 0 336.457 3.811 20 0 EHADRM CO[C@H](CNc1ccc(N2CCCCC2)c(C(=O)[O-])c1)CC(C)C ZINC001599054908 999222659 /nfs/dbraw/zinc/22/26/59/999222659.db2.gz DJTACYWVJPATGH-INIZCTEOSA-N -1 0 334.460 3.848 20 0 EHADRM C[C@H]1CC[C@@]([NH2+]Cc2cncc(Cl)c2)(C(=O)[O-])c2ccccc21 ZINC001594319493 999228299 /nfs/dbraw/zinc/22/82/99/999228299.db2.gz FCWBWIXHOKBCGW-SGTLLEGYSA-N -1 0 330.815 3.702 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)c2cccc3c2CCC3)(C(=O)[O-])c2ccccc21 ZINC001594321845 999238280 /nfs/dbraw/zinc/23/82/80/999238280.db2.gz HLENJEJKUNZATH-FPTDNZKUSA-N -1 0 349.430 3.783 20 0 EHADRM CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21 ZINC001594323743 999247730 /nfs/dbraw/zinc/24/77/30/999247730.db2.gz UNLLKBMJINPWBN-LONLNUGOSA-N -1 0 329.440 3.662 20 0 EHADRM C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001594329928 999267746 /nfs/dbraw/zinc/26/77/46/999267746.db2.gz GUWXCUYMFPIYPM-CJNGLKHVSA-N -1 0 339.395 3.785 20 0 EHADRM CO[C@H](c1nc(COc2cccc(C(=O)[O-])c2)no1)C1CCCCC1 ZINC001599062827 999277841 /nfs/dbraw/zinc/27/78/41/999277841.db2.gz UNISLBIOKODDJZ-INIZCTEOSA-N -1 0 346.383 3.615 20 0 EHADRM CO[C@@H](c1nc(COc2cccc(C(=O)[O-])c2)no1)C1CCCCC1 ZINC001599062828 999278135 /nfs/dbraw/zinc/27/81/35/999278135.db2.gz UNISLBIOKODDJZ-MRXNPFEDSA-N -1 0 346.383 3.615 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c2ccccc12 ZINC001594346745 999313825 /nfs/dbraw/zinc/31/38/25/999313825.db2.gz GIENKDNMDWNQQB-IBGZPJMESA-N -1 0 333.387 3.574 20 0 EHADRM C[C@@H]1CCCC[C@H]1CCNC(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001594363701 999372887 /nfs/dbraw/zinc/37/28/87/999372887.db2.gz JRWDHEZTWBEWGK-CVEARBPZSA-N -1 0 338.492 3.927 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CCNC(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001594363719 999373275 /nfs/dbraw/zinc/37/32/75/999373275.db2.gz KESZLIAMPLWWBQ-HUUCEWRRSA-N -1 0 344.455 3.669 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CCNC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001594364242 999376374 /nfs/dbraw/zinc/37/63/74/999376374.db2.gz XBLVVWCVEMBUEU-MXHNKVEKSA-N -1 0 329.440 3.578 20 0 EHADRM C[C@H]1CCCC[C@H]1NC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001594366777 999386204 /nfs/dbraw/zinc/38/62/04/999386204.db2.gz RJFIAJFDCUXLFT-BLLLJJGKSA-N -1 0 344.411 3.551 20 0 EHADRM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001594370525 999396578 /nfs/dbraw/zinc/39/65/78/999396578.db2.gz JNLXLSKWQCVPOJ-RNCFNFMXSA-N -1 0 343.782 3.711 20 0 EHADRM C[C@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])nc2)c2ccccc21 ZINC001594379195 999429972 /nfs/dbraw/zinc/42/99/72/999429972.db2.gz UZMNTUGBYOQVFW-LBPRGKRZSA-N -1 0 325.368 3.716 20 0 EHADRM C[C@H]1CCCN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)c2ccccc21 ZINC001594379332 999430547 /nfs/dbraw/zinc/43/05/47/999430547.db2.gz RTERKQKPFBNOMY-FUWURINLSA-N -1 0 325.364 3.922 20 0 EHADRM C[C@@H]1CCCc2ncc(C(=O)Nc3scc(C4CC4)c3C(=O)[O-])n21 ZINC001594389092 999473670 /nfs/dbraw/zinc/47/36/70/999473670.db2.gz QLUXCEARCKOVFG-SECBINFHSA-N -1 0 345.424 3.670 20 0 EHADRM C[C@H]1CCN(C(=O)NCc2ccc(C(=O)[O-])s2)[C@H](c2ccco2)C1 ZINC001594403264 999512210 /nfs/dbraw/zinc/51/22/10/999512210.db2.gz RMQDOAYKVWWSJV-AAEUAGOBSA-N -1 0 348.424 3.722 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc(Cl)cc3ccccc32)[C@@H](C(=O)[O-])C1 ZINC001594406808 999524120 /nfs/dbraw/zinc/52/41/20/999524120.db2.gz FZGCSZVMYYFURV-MEDUHNTESA-N -1 0 331.799 3.819 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)NCc3ccc(C(=O)[O-])s3)cc2C1 ZINC001594450737 999648180 /nfs/dbraw/zinc/64/81/80/999648180.db2.gz JVPKMJIXTUUBKY-SECBINFHSA-N -1 0 335.450 3.563 20 0 EHADRM C[C@@H]1CN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)[C@@H]1c1ccccc1 ZINC001594463514 999678493 /nfs/dbraw/zinc/67/84/93/999678493.db2.gz WOYWMDDBEZYGDX-IDAIIUJFSA-N -1 0 327.424 3.631 20 0 EHADRM CCc1onc(C)c1[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000340127420 1016371697 /nfs/dbraw/zinc/37/16/97/1016371697.db2.gz CVSDCAHNFOJAPU-UHFFFAOYSA-N -1 0 338.360 3.540 20 0 EHADRM C[C@@H](NC(=O)CC/C=C\c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655575249 1016374042 /nfs/dbraw/zinc/37/40/42/1016374042.db2.gz HAPBAEKNSKWVAK-VLLJAWMFSA-N -1 0 329.440 3.732 20 0 EHADRM C[C@H](NC(=O)CC/C=C/c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655575250 1016374227 /nfs/dbraw/zinc/37/42/27/1016374227.db2.gz HAPBAEKNSKWVAK-YAOKRBNASA-N -1 0 329.440 3.732 20 0 EHADRM C[C@H](NC(=O)[C@]1(C(=O)[O-])CC=CCC1)c1cc2ccccc2s1 ZINC000653289538 1016379488 /nfs/dbraw/zinc/37/94/88/1016379488.db2.gz WFPFNXOBEBKXHV-SGTLLEGYSA-N -1 0 329.421 3.890 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655576599 1016393502 /nfs/dbraw/zinc/39/35/02/1016393502.db2.gz ROZJVIGWJWGUMY-MHKQFDIHSA-N -1 0 335.488 3.845 20 0 EHADRM CC[C@H](CC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655580072 1016454590 /nfs/dbraw/zinc/45/45/90/1016454590.db2.gz GBROCGUXTXIUEU-TXCZRRACSA-N -1 0 331.456 3.822 20 0 EHADRM CC(C)Oc1ccccc1CNC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000340150764 1016487290 /nfs/dbraw/zinc/48/72/90/1016487290.db2.gz CAVVHODXSHGUEC-UHFFFAOYSA-N -1 0 333.428 3.515 20 0 EHADRM O=S(=O)([N-]C1(C(F)(F)F)CCCCC1)c1ccc(Cl)s1 ZINC000510219780 1016488422 /nfs/dbraw/zinc/48/84/22/1016488422.db2.gz IIHADGPJCVSWLU-UHFFFAOYSA-N -1 0 347.811 3.945 20 0 EHADRM CC(C)[C@H](NC(=O)N=c1[n-]nc(-c2ccco2)s1)c1ccccc1 ZINC000510227928 1016526041 /nfs/dbraw/zinc/52/60/41/1016526041.db2.gz KHDLTZSBVMGGII-AWEZNQCLSA-N -1 0 342.424 3.739 20 0 EHADRM O=C([O-])/C=C/c1cnc(/C=C/c2cc(Cl)cc3c2OCC3)s1 ZINC000782890144 1016552513 /nfs/dbraw/zinc/55/25/13/1016552513.db2.gz SWUIVVQCGFFIRB-ZPUQHVIOSA-N -1 0 333.796 4.000 20 0 EHADRM CC(C)[C@@H](NC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1)C1CC1 ZINC000659414938 1016663738 /nfs/dbraw/zinc/66/37/38/1016663738.db2.gz HXAUHDDQSSIMJP-GOSISDBHSA-N -1 0 344.455 3.708 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)C(=O)N2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000236798570 1016738015 /nfs/dbraw/zinc/73/80/15/1016738015.db2.gz JZBRBOFSKBZBDQ-RDJZCZTQSA-N -1 0 347.455 3.823 20 0 EHADRM CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1[O-] ZINC000179000604 1016836781 /nfs/dbraw/zinc/83/67/81/1016836781.db2.gz HMIDOYIVYFWASI-UHFFFAOYSA-N -1 0 327.277 3.822 20 0 EHADRM CCC[C@H](CC1CCCCC1)C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000647659102 1016875229 /nfs/dbraw/zinc/87/52/29/1016875229.db2.gz XVHQXYHLTXAIGE-CVEARBPZSA-N -1 0 349.475 3.868 20 0 EHADRM CCCN(C(=O)NCCCCCC(=O)[O-])[C@H]1CCCc2cccnc21 ZINC000414606828 1017006277 /nfs/dbraw/zinc/00/62/77/1017006277.db2.gz FOXRQXUITPUXNK-INIZCTEOSA-N -1 0 347.459 3.526 20 0 EHADRM CC(C)CN(Cc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000414618278 1017062598 /nfs/dbraw/zinc/06/25/98/1017062598.db2.gz YWRROIPYRWJXBE-UHFFFAOYSA-N -1 0 340.423 3.753 20 0 EHADRM C[C@@H](c1ccccc1F)N(C)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000183372828 1032164391 /nfs/dbraw/zinc/16/43/91/1032164391.db2.gz WXFNTHBXOCBVFF-QMMMGPOBSA-N -1 0 327.277 3.782 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1N(C)c1cc(Br)ccc1N ZINC001211624286 1033311101 /nfs/dbraw/zinc/31/11/01/1033311101.db2.gz BCTQSQUFKJQMEB-UHFFFAOYSA-N -1 0 335.201 3.806 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@@H]2CCC(=O)[O-])o1 ZINC000449136918 1032233067 /nfs/dbraw/zinc/23/30/67/1032233067.db2.gz CWLBTBSDPFHILT-LJIZCISZSA-N -1 0 345.439 3.752 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)cc1C ZINC000538297561 1032278344 /nfs/dbraw/zinc/27/83/44/1032278344.db2.gz ZFGCAAMRDMNXSR-LLVKDONJSA-N -1 0 341.864 3.925 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1)C1CC1 ZINC000841501746 1032296429 /nfs/dbraw/zinc/29/64/29/1032296429.db2.gz RLLJZPJTSKZWJT-ZDUSSCGKSA-N -1 0 330.428 3.750 20 0 EHADRM CCC[C@H]1CCCC[C@H]1NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000081345103 1032301788 /nfs/dbraw/zinc/30/17/88/1032301788.db2.gz DEHLZBOXPVILFB-DOTOQJQBSA-N -1 0 341.455 3.563 20 0 EHADRM C[C@H]1CC[C@H](c2nc(=O)c3snc(-c4ccc(F)cc4)c3[n-]2)O1 ZINC000905031471 1032330474 /nfs/dbraw/zinc/33/04/74/1032330474.db2.gz IHKDGYMGNRMJEB-GZMMTYOYSA-N -1 0 331.372 3.838 20 0 EHADRM C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000184765013 1032331706 /nfs/dbraw/zinc/33/17/06/1032331706.db2.gz VXBAVGYUTIOCIY-ABAIWWIYSA-N -1 0 339.420 3.735 20 0 EHADRM Cc1cc(C)c(NC(=O)[C@@H]2C[C@@]2(C(=O)[O-])c2ccccc2)c(Cl)c1 ZINC000905111587 1032346993 /nfs/dbraw/zinc/34/69/93/1032346993.db2.gz AUCNQLMYXZJECJ-IFXJQAMLSA-N -1 0 343.810 3.938 20 0 EHADRM C[C@@]1(Cc2ccccc2)CCCN1C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000905123291 1032352046 /nfs/dbraw/zinc/35/20/46/1032352046.db2.gz FKBXSDVVWSHDAV-UWVAXJGDSA-N -1 0 329.440 3.501 20 0 EHADRM Cc1nc(-c2ccccc2)sc1C(=O)N[C@@](C)(CC(=O)[O-])C(C)C ZINC000263012596 1032410543 /nfs/dbraw/zinc/41/05/43/1032410543.db2.gz PQLYPYQNFLBAMY-SFHVURJKSA-N -1 0 346.452 3.738 20 0 EHADRM C[C@H](CN(C)C(=O)Nc1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000263044876 1032417217 /nfs/dbraw/zinc/41/72/17/1032417217.db2.gz MLKITBJVIBMLAA-SSDOTTSWSA-N -1 0 338.713 3.543 20 0 EHADRM C[C@H](C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000263056129 1032422836 /nfs/dbraw/zinc/42/28/36/1032422836.db2.gz AKQLRSVNFHIDEB-JBLDHEPKSA-N -1 0 344.238 3.809 20 0 EHADRM CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C3CCC3)cc2)cc1 ZINC000084848673 1032454385 /nfs/dbraw/zinc/45/43/85/1032454385.db2.gz MTBQKEYGVURJON-UHFFFAOYSA-N -1 0 344.436 3.713 20 0 EHADRM C[C@@H]1C[C@@H](CCNC(=O)C[C@]2(C(=O)[O-])CCSC2)CC(C)(C)C1 ZINC000683437407 1017081819 /nfs/dbraw/zinc/08/18/19/1017081819.db2.gz IRBGBPWXDWNTMF-HBUWYVDXSA-N -1 0 341.517 3.553 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC001211618800 1032466398 /nfs/dbraw/zinc/46/63/98/1032466398.db2.gz RSMCSIVULPDPCQ-UHFFFAOYSA-N -1 0 344.371 3.574 20 0 EHADRM Cc1ccc2cccc(S(=O)(=O)[N-]c3cccc4cccnc43)c2n1 ZINC000084920082 1032467494 /nfs/dbraw/zinc/46/74/94/1032467494.db2.gz OWOHMIPIZGVJMA-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM CC(C)[C@H](c1ccc(F)cc1)N(C)C(=O)NCCCCCC(=O)[O-] ZINC000414633108 1017094155 /nfs/dbraw/zinc/09/41/55/1017094155.db2.gz ZYCXEJWFNPUHME-QGZVFWFLSA-N -1 0 338.423 3.809 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)/C=C/c2c(Cl)cccc2Cl)C1 ZINC000314822726 1032552701 /nfs/dbraw/zinc/55/27/01/1032552701.db2.gz DPOKYSAZZYYASK-MLRMMBSGSA-N -1 0 342.222 3.720 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1C ZINC000537196465 1032555345 /nfs/dbraw/zinc/55/53/45/1032555345.db2.gz RFSHQBKTPAZJBO-VIFPVBQESA-N -1 0 345.827 3.756 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cc(C)c(C)s2)cc1Cl ZINC000091011011 1032614755 /nfs/dbraw/zinc/61/47/55/1032614755.db2.gz USPKGKGNYQVGNV-UHFFFAOYSA-N -1 0 331.846 3.828 20 0 EHADRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000091015006 1032616565 /nfs/dbraw/zinc/61/65/65/1032616565.db2.gz MJOKUIKLKNPYRK-UHFFFAOYSA-N -1 0 331.846 3.828 20 0 EHADRM CC[C@H](c1n[n-]c(=NC(=O)N2CCC[C@@H]2CC)s1)c1ccccc1 ZINC000592937566 1032622222 /nfs/dbraw/zinc/62/22/22/1032622222.db2.gz HMJRDOWHTGWDNW-GJZGRUSLSA-N -1 0 344.484 3.908 20 0 EHADRM Cn1nc(C(=O)[O-])cc1CNc1cccc(CSC2CCCC2)c1 ZINC000602068555 1032625212 /nfs/dbraw/zinc/62/52/12/1032625212.db2.gz YBSFUVYWBMKYPS-UHFFFAOYSA-N -1 0 345.468 3.906 20 0 EHADRM Cc1cc(C(=O)N=c2nc(C(C)(C)C)[n-]s2)nn1C1CCCCC1 ZINC000537340958 1032641131 /nfs/dbraw/zinc/64/11/31/1032641131.db2.gz QIBGWXWWQVKEJS-UHFFFAOYSA-N -1 0 347.488 3.520 20 0 EHADRM CCC(CC)n1nc(C(=O)N=c2cc(-c3ccccc3)[nH][nH]2)cc1C ZINC000537358667 1032676756 /nfs/dbraw/zinc/67/67/56/1032676756.db2.gz POZMODJXQSHHPL-UHFFFAOYSA-N -1 0 337.427 3.617 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(Br)c3cccnc23)cn1 ZINC001210176592 1017333006 /nfs/dbraw/zinc/33/30/06/1017333006.db2.gz MSFPWGKPCAFGGF-UHFFFAOYSA-N -1 0 344.168 3.834 20 0 EHADRM CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1ccc([O-])c(Cl)c1 ZINC000183534797 1017340888 /nfs/dbraw/zinc/34/08/88/1017340888.db2.gz ZTFKGSKKRIKZRO-UHFFFAOYSA-N -1 0 340.713 3.535 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CC[C@]2(C1)CCCOC2 ZINC000377142613 1017366136 /nfs/dbraw/zinc/36/61/36/1017366136.db2.gz UUFBCCOCBOBUSR-IBGZPJMESA-N -1 0 345.826 3.842 20 0 EHADRM CC(C)(C)n1cc(COC(=O)c2cccc3[nH]c(C(F)F)nc32)cn1 ZINC000924085856 1017477319 /nfs/dbraw/zinc/47/73/19/1017477319.db2.gz VJPFZMKJYXTNHC-UHFFFAOYSA-N -1 0 348.353 3.809 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)Cc1c(F)cccc1Cl)C1CCCCC1 ZINC000537403270 1032706151 /nfs/dbraw/zinc/70/61/51/1032706151.db2.gz KRFASMWWALWRMK-OAHLLOKOSA-N -1 0 341.810 3.561 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(OCC2CC2)cc1)C1CCCCC1 ZINC000537409814 1032711902 /nfs/dbraw/zinc/71/19/02/1032711902.db2.gz ALCWDXMLXFRMHA-SFHVURJKSA-N -1 0 345.439 3.629 20 0 EHADRM Fc1cc(CN=c2nc(-c3ccccc3)o[n-]2)ccc1OC(F)F ZINC000549222544 1017695159 /nfs/dbraw/zinc/69/51/59/1017695159.db2.gz NVKJLALMCDJQQL-UHFFFAOYSA-N -1 0 335.285 3.511 20 0 EHADRM CCN1CCc2ccc(NC(=O)c3cc(F)c([O-])c(Cl)c3)cc21 ZINC000683618964 1017723764 /nfs/dbraw/zinc/72/37/64/1017723764.db2.gz ZDXRVGSSYWPARK-UHFFFAOYSA-N -1 0 334.778 3.819 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)NC[C@H](C(=O)[O-])C(C)C)cc1C ZINC000655892050 1017867584 /nfs/dbraw/zinc/86/75/84/1017867584.db2.gz NFFBTOPNHDENFD-IRXDYDNUSA-N -1 0 332.444 3.507 20 0 EHADRM Cc1ccc(C)c(CN(C)C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000655903843 1017885818 /nfs/dbraw/zinc/88/58/18/1017885818.db2.gz PDHSTLMGUSFQJK-HYVNUMGLSA-N -1 0 346.471 3.580 20 0 EHADRM C[C@@H](NC(=O)N(C)[C@@H](C)c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655908950 1017906685 /nfs/dbraw/zinc/90/66/85/1017906685.db2.gz XJRHAYRYMZQAGM-BFJAYTPKSA-N -1 0 332.444 3.524 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccccc1CCC(F)(F)F ZINC000089099206 1017942685 /nfs/dbraw/zinc/94/26/85/1017942685.db2.gz LUSNQJTXBTUNPL-CHWSQXEVSA-N -1 0 341.329 3.787 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N(C)Cc2cc3ccccc3o2)s1 ZINC000472789844 1017947725 /nfs/dbraw/zinc/94/77/25/1017947725.db2.gz MWOCSOQSXADTRQ-UHFFFAOYSA-N -1 0 344.440 3.713 20 0 EHADRM CC(C)(CC(=O)N1Cc2ccccc2C[C@@H]1c1ccccc1)C(=O)[O-] ZINC000377564564 1017995804 /nfs/dbraw/zinc/99/58/04/1017995804.db2.gz NVBSVXJNNDJDIT-GOSISDBHSA-N -1 0 337.419 3.814 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N2CCc3cccc(F)c3[C@@H]2C)s1 ZINC000606543941 1032744460 /nfs/dbraw/zinc/74/44/60/1032744460.db2.gz PCFIHPMOUCKHBM-NSHDSACASA-N -1 0 348.447 3.593 20 0 EHADRM CCN(C(=O)N=c1[n-]nc(SCc2ccccc2)s1)C1CCC1 ZINC000606543850 1032745216 /nfs/dbraw/zinc/74/52/16/1032745216.db2.gz IXQNWLRBZGWCNO-UHFFFAOYSA-N -1 0 348.497 3.659 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)Nc1ccc(CC(F)(F)F)cc1)C1CCC1 ZINC000580029831 1018228968 /nfs/dbraw/zinc/22/89/68/1018228968.db2.gz JPTBVARWUSTMLS-SNVBAGLBSA-N -1 0 344.333 3.651 20 0 EHADRM CCCN(C(=O)N=c1[n-]nc(Cc2ccc(C)cc2)s1)C(C)C ZINC000582129834 1018315754 /nfs/dbraw/zinc/31/57/54/1018315754.db2.gz FLJBOAJADRAELZ-UHFFFAOYSA-N -1 0 332.473 3.512 20 0 EHADRM C[C@@H]1C[C@@H](Sc2n[n-]c(=NCCc3ccccc3)s2)C[C@H](C)O1 ZINC000549340824 1018429163 /nfs/dbraw/zinc/42/91/63/1018429163.db2.gz KZBFQDMHZJOVKL-AGGWBTHJSA-N -1 0 349.525 3.663 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C(F)F)c1 ZINC000340584837 1018590671 /nfs/dbraw/zinc/59/06/71/1018590671.db2.gz ZNKIIAISDWHPLM-UHFFFAOYSA-N -1 0 343.399 3.586 20 0 EHADRM COc1cc(/C=C\c2cc(C(=O)[O-])ccn2)c(SC)cc1OC ZINC000340592642 1018607083 /nfs/dbraw/zinc/60/70/83/1018607083.db2.gz URTATEVFTDAYQY-PLNGDYQASA-N -1 0 331.393 3.689 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000580201424 1018777413 /nfs/dbraw/zinc/77/74/13/1018777413.db2.gz MQNCCLGRIVQXIZ-CSODTCANSA-N -1 0 343.467 3.795 20 0 EHADRM O=S(=O)([N-]c1cc(C2CC2)nn1-c1ccccc1)c1ccsc1 ZINC000350146246 1018848677 /nfs/dbraw/zinc/84/86/77/1018848677.db2.gz KKEPWDOLCLNBQD-UHFFFAOYSA-N -1 0 345.449 3.612 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1)C(=O)c1ccccc1 ZINC000602323132 1032789654 /nfs/dbraw/zinc/78/96/54/1032789654.db2.gz RVQPOECEBPIUBY-CYBMUJFWSA-N -1 0 349.390 3.630 20 0 EHADRM O=S(=O)(/C=C/c1ccc(F)cc1)[N-]c1cc(-c2ccccc2)on1 ZINC000175917681 1018851661 /nfs/dbraw/zinc/85/16/61/1018851661.db2.gz KVEJZFRYLNKEKF-ZHACJKMWSA-N -1 0 344.367 3.893 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)NC[C@@]1(Cc2ccccc2)C=CCCC1 ZINC000630314565 1018874771 /nfs/dbraw/zinc/87/47/71/1018874771.db2.gz UCDQEXJIOQGRJZ-UZLBHIALSA-N -1 0 329.440 3.573 20 0 EHADRM N=c1c(Cl)cc(Cl)c(N)n1-c1cc(Cl)c([O-])c(Cl)c1 ZINC001210927553 1019053241 /nfs/dbraw/zinc/05/32/41/1019053241.db2.gz WJQRCXIJAJORDQ-UHFFFAOYSA-N -1 0 339.009 3.858 20 0 EHADRM CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C)oc1C ZINC000345095318 1019078980 /nfs/dbraw/zinc/07/89/80/1019078980.db2.gz SFQHLZATVDPZBE-UHFFFAOYSA-N -1 0 329.805 3.749 20 0 EHADRM [O-]c1c(Cl)nccc1-c1nc(-c2cncc(C(F)(F)F)c2)no1 ZINC001214065818 1019131594 /nfs/dbraw/zinc/13/15/94/1019131594.db2.gz LEBWBIYHBQLCHI-UHFFFAOYSA-N -1 0 342.664 3.571 20 0 EHADRM C[C@@H]1CN(C(=O)c2sc3ccccc3c2Cl)CC[C@@H]1C(=O)[O-] ZINC000319572456 1019192241 /nfs/dbraw/zinc/19/22/41/1019192241.db2.gz RBYQMBZWGXUCDY-ZJUUUORDSA-N -1 0 337.828 3.738 20 0 EHADRM COc1cc2c(c(CNc3cccc(C(=O)[O-])c3C)c1)O[C@@H](C)C2 ZINC000340679692 1019205685 /nfs/dbraw/zinc/20/56/85/1019205685.db2.gz MDJGWAZYEBBTOU-NSHDSACASA-N -1 0 327.380 3.637 20 0 EHADRM FC(F)(F)[C@H](C[C@@H]1CCCO1)[N-]c1noc(-c2ccccc2)n1 ZINC000656228081 1019432753 /nfs/dbraw/zinc/43/27/53/1019432753.db2.gz OXFKHRZQTPXDPG-RYUDHWBXSA-N -1 0 327.306 3.649 20 0 EHADRM Cc1cccc2cc(S(=O)(=O)[N-]c3cnn(C(C)C)c3)sc21 ZINC000647126652 1019440327 /nfs/dbraw/zinc/44/03/27/1019440327.db2.gz RDRUPUZDRQFJES-UHFFFAOYSA-N -1 0 335.454 3.788 20 0 EHADRM CCC[C@H](CNC(=O)CCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000087490089 1019441248 /nfs/dbraw/zinc/44/12/48/1019441248.db2.gz VXQRMUIYAFYACG-LLVKDONJSA-N -1 0 332.227 3.543 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)NC[C@@H](C)c1c(Cl)cccc1Cl ZINC000656233543 1019480067 /nfs/dbraw/zinc/48/00/67/1019480067.db2.gz DOLWZBPDMMMJIK-NXEZZACHSA-N -1 0 332.227 3.714 20 0 EHADRM COc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)o1 ZINC000656234501 1019492148 /nfs/dbraw/zinc/49/21/48/1019492148.db2.gz JSMPLQKURXUJBG-CQSZACIVSA-N -1 0 345.395 3.532 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)Cc2cn(C)c3ccccc23)c1 ZINC000580497390 1019492299 /nfs/dbraw/zinc/49/22/99/1019492299.db2.gz ATYNFSIBCOAAQC-UHFFFAOYSA-N -1 0 336.391 3.658 20 0 EHADRM Cc1cc(NC(=O)C[C@@H](C)CC(=O)[O-])ccc1Oc1cccnc1 ZINC000656239191 1019525946 /nfs/dbraw/zinc/52/59/46/1019525946.db2.gz ZTKIPHTYBDUEOM-GFCCVEGCSA-N -1 0 328.368 3.622 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)c1ccc(C(F)F)cc1F ZINC000656242020 1019551386 /nfs/dbraw/zinc/55/13/86/1019551386.db2.gz KPQGUSBTIGDWPL-AWEZNQCLSA-N -1 0 343.345 3.917 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000262171978 1019556067 /nfs/dbraw/zinc/55/60/67/1019556067.db2.gz QLVFSIMAKVOISU-GVDBMIGSSA-N -1 0 343.810 3.656 20 0 EHADRM Cc1ccn(-c2ccc([N-]S(=O)(=O)c3cc(C)c(C)s3)cc2)n1 ZINC000340723091 1019610700 /nfs/dbraw/zinc/61/07/00/1019610700.db2.gz BNPJYJWINCXVDD-UHFFFAOYSA-N -1 0 347.465 3.660 20 0 EHADRM C[C@H](CC(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1)C1CCCCC1 ZINC000580568120 1019655020 /nfs/dbraw/zinc/65/50/20/1019655020.db2.gz WCZQKPLGACSHCK-CYBMUJFWSA-N -1 0 344.455 3.880 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@@H](C)OCc1ccccc1 ZINC000262565608 1019665471 /nfs/dbraw/zinc/66/54/71/1019665471.db2.gz XTZSYGVEWNJJJB-CQSZACIVSA-N -1 0 327.380 3.545 20 0 EHADRM Cc1cc(OCc2ccccc2)ccc1NC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC000262657206 1019698369 /nfs/dbraw/zinc/69/83/69/1019698369.db2.gz LYUDZHJGHUGGII-IAGOWNOFSA-N -1 0 339.391 3.623 20 0 EHADRM C[C@@H](CC(=O)NCc1ccc(C(=O)[O-])o1)Cc1ccc(Cl)cc1 ZINC000262792056 1019733984 /nfs/dbraw/zinc/73/39/84/1019733984.db2.gz PWRKWWKBUVNVFY-LLVKDONJSA-N -1 0 335.787 3.516 20 0 EHADRM CC(C)c1ccc2ncnc(Sc3n[n-]c(=NC4CC4)s3)c2c1 ZINC000647850034 1019749724 /nfs/dbraw/zinc/74/97/24/1019749724.db2.gz XKENHKXIQJHMBT-UHFFFAOYSA-N -1 0 343.481 3.752 20 0 EHADRM Cc1nc(-c2cccc(C(=O)N[C@@](C)(CC(=O)[O-])C(C)C)c2)cs1 ZINC000262975762 1019783090 /nfs/dbraw/zinc/78/30/90/1019783090.db2.gz NALJFVWTDGPVRD-SFHVURJKSA-N -1 0 346.452 3.738 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(CCC(C)C)cc2)n[nH]c1C1CC1 ZINC000760320256 1032853275 /nfs/dbraw/zinc/85/32/75/1032853275.db2.gz OQXKPRAXDCWGCN-UHFFFAOYSA-N -1 0 347.484 3.985 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1C[C@H]1c1sccc1C ZINC000263055573 1019801463 /nfs/dbraw/zinc/80/14/63/1019801463.db2.gz WUGZCAFRTINDDL-NEPJUHHUSA-N -1 0 331.393 3.506 20 0 EHADRM CSC(C)(C)CNC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000263081071 1019811671 /nfs/dbraw/zinc/81/16/71/1019811671.db2.gz ZCMJYGKYAFQMML-UHFFFAOYSA-N -1 0 343.448 3.923 20 0 EHADRM C[C@H](C(=O)N[C@H](CCC(=O)[O-])c1ccccc1)c1c(F)cccc1F ZINC000263126476 1019821843 /nfs/dbraw/zinc/82/18/43/1019821843.db2.gz LCQQDZSWGLGXIT-BLLLJJGKSA-N -1 0 347.361 3.791 20 0 EHADRM Cc1nc(C(=O)N2CCC[C@H]2c2ccccc2Cl)ccc1C(=O)[O-] ZINC000263350899 1019882334 /nfs/dbraw/zinc/88/23/34/1019882334.db2.gz PPRROISIVPSADC-INIZCTEOSA-N -1 0 344.798 3.719 20 0 EHADRM O=C(N=c1[n-]nc(C2CC2)s1)N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000549943872 1019939785 /nfs/dbraw/zinc/93/97/85/1019939785.db2.gz KBIXADGVWPREPF-GJZGRUSLSA-N -1 0 342.468 3.685 20 0 EHADRM Cc1ccccc1[C@]1(F)CCN(C(=O)c2c([O-])cc(F)cc2F)C1 ZINC000669743353 1032865884 /nfs/dbraw/zinc/86/58/84/1032865884.db2.gz FNZRRNPPEMDVRJ-SFHVURJKSA-N -1 0 335.325 3.690 20 0 EHADRM COCc1c2ccccc2oc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000345171942 1020007197 /nfs/dbraw/zinc/00/71/97/1020007197.db2.gz RRHINLLLPWNIHJ-UHFFFAOYSA-N -1 0 325.320 3.530 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)[O-] ZINC000315743897 1032877720 /nfs/dbraw/zinc/87/77/20/1032877720.db2.gz MFPJUSLXTCUOHV-MADCSZMMSA-N -1 0 343.807 3.923 20 0 EHADRM COc1ccc([C@@H](C)N=c2nc(CC(C)C)[n-]s2)c(C)c1OC ZINC000580885736 1020189237 /nfs/dbraw/zinc/18/92/37/1020189237.db2.gz NZUYHHFFLCMTTP-GFCCVEGCSA-N -1 0 335.473 3.657 20 0 EHADRM CCC(CC)(CC)C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000761253446 1032886554 /nfs/dbraw/zinc/88/65/54/1032886554.db2.gz FHHBUVFPTYOUFG-UHFFFAOYSA-N -1 0 331.865 3.502 20 0 EHADRM O=S(=O)([N-]c1cccc2cc[nH]c21)c1ccccc1C(F)(F)F ZINC000548150159 1020321027 /nfs/dbraw/zinc/32/10/27/1020321027.db2.gz WNYKITQWPGLALI-UHFFFAOYSA-N -1 0 340.326 3.988 20 0 EHADRM CCCN(C(=O)N[C@H](CC)c1ccc(F)cc1F)[C@@H](CC)C(=O)[O-] ZINC000580989923 1020338974 /nfs/dbraw/zinc/33/89/74/1020338974.db2.gz MXGGPTFQLRJKRN-CABCVRRESA-N -1 0 342.386 3.701 20 0 EHADRM CCCCn1ncc(C(=O)Nc2cc(Cl)c([O-])cc2F)c1C ZINC000345580860 1020373627 /nfs/dbraw/zinc/37/36/27/1020373627.db2.gz FPIOYPVXRCBQHU-UHFFFAOYSA-N -1 0 325.771 3.742 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1ccncc1C(F)(F)F ZINC000345609158 1020384002 /nfs/dbraw/zinc/38/40/02/1020384002.db2.gz OQHGNDMHOHQZOB-UHFFFAOYSA-N -1 0 334.656 3.851 20 0 EHADRM COC(=O)CC1(CC(=O)Nc2cc(Cl)c([O-])cc2F)CCCC1 ZINC000345639484 1020409066 /nfs/dbraw/zinc/40/90/66/1020409066.db2.gz XZTXDSIAGORXDG-UHFFFAOYSA-N -1 0 343.782 3.637 20 0 EHADRM O=C(Nc1cccc(-c2ccccc2)c1)c1ccc2[nH]c(=O)nc-2[n-]1 ZINC000345643580 1020412315 /nfs/dbraw/zinc/41/23/15/1020412315.db2.gz CIZKJVQWMBFFIJ-UHFFFAOYSA-N -1 0 330.347 3.583 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1ccnn1-c1ccccc1 ZINC000345621611 1020416419 /nfs/dbraw/zinc/41/64/19/1020416419.db2.gz KPTBBDUWJRKEMP-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM CC[C@H](C(=O)Nc1cc(Cl)c([O-])cc1F)c1c(C)noc1C ZINC000345651405 1020426162 /nfs/dbraw/zinc/42/61/62/1020426162.db2.gz VXGJQUMHCUHLPU-VIFPVBQESA-N -1 0 326.755 3.922 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)N([C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC000581169495 1020498947 /nfs/dbraw/zinc/49/89/47/1020498947.db2.gz UUBRPRHAZUCFOV-RYUDHWBXSA-N -1 0 336.457 3.507 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)N([C@@H](C)C(=O)[O-])C1CCC1 ZINC000581169169 1020500131 /nfs/dbraw/zinc/50/01/31/1020500131.db2.gz ZUJONUMTWAOZJG-OLZOCXBDSA-N -1 0 344.411 3.839 20 0 EHADRM CC(C)C[C@H](NC(=O)c1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000345786688 1020521001 /nfs/dbraw/zinc/52/10/01/1020521001.db2.gz UUXDOXWMAUQURU-SFHVURJKSA-N -1 0 341.407 3.667 20 0 EHADRM O=C([O-])CN(Cc1ccc(F)c(F)c1)C(=O)c1cccc(C2CC2)c1 ZINC000581320625 1020682988 /nfs/dbraw/zinc/68/29/88/1020682988.db2.gz JIUBIVGMHQZDFI-UHFFFAOYSA-N -1 0 345.345 3.569 20 0 EHADRM CCC(CC)(CC(=O)Nc1cccc(Br)c1F)C(=O)[O-] ZINC000656484865 1020706031 /nfs/dbraw/zinc/70/60/31/1020706031.db2.gz HIHVGTWDOXYICO-UHFFFAOYSA-N -1 0 346.196 3.808 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)Nc1ccc(OC2CCCC2)cc1)C(=O)[O-] ZINC000581388750 1020771934 /nfs/dbraw/zinc/77/19/34/1020771934.db2.gz WVUBXOMEOQEKEW-MLGOLLRUSA-N -1 0 334.416 3.629 20 0 EHADRM Cc1cc(Cl)c(NC(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1Cl ZINC000389928389 1020881358 /nfs/dbraw/zinc/88/13/58/1020881358.db2.gz VGLUFNOMTPHYJP-NXEZZACHSA-N -1 0 345.226 3.876 20 0 EHADRM CCOc1ccc(CN[C@@H](C(=O)[O-])c2c(F)cccc2F)c(C)c1 ZINC000656574442 1020936867 /nfs/dbraw/zinc/93/68/67/1020936867.db2.gz VJNLOIMZMVHEJK-QGZVFWFLSA-N -1 0 335.350 3.587 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000581465905 1020936980 /nfs/dbraw/zinc/93/69/80/1020936980.db2.gz SELZSDRYBBMKTK-USXIJHARSA-N -1 0 332.444 3.813 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)cc2)o1 ZINC000341097720 1020977003 /nfs/dbraw/zinc/97/70/03/1020977003.db2.gz XTQUHRJCBPAACV-UHFFFAOYSA-N -1 0 330.365 3.576 20 0 EHADRM O=S(=O)(CCc1ccccc1Cl)[N-]c1scnc1C1CC1 ZINC000656626658 1021061052 /nfs/dbraw/zinc/06/10/52/1021061052.db2.gz NUFBEJDLMQDNNE-UHFFFAOYSA-N -1 0 342.873 3.658 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1cnc(C(F)(F)F)c(C)c1 ZINC000656637698 1021068378 /nfs/dbraw/zinc/06/83/78/1021068378.db2.gz LWHJULRUHJLSDV-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000276365286 1021106099 /nfs/dbraw/zinc/10/60/99/1021106099.db2.gz PZNJJBBUZSVJER-NSHDSACASA-N -1 0 344.358 3.920 20 0 EHADRM CCC1(c2ccc(Cl)cc2)CCN(C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC000684322438 1021119693 /nfs/dbraw/zinc/11/96/93/1021119693.db2.gz JCVBBGMQLHUZMK-UHFFFAOYSA-N -1 0 347.846 3.661 20 0 EHADRM CCCN(C(=O)N[C@@H]1CC(C)(C)c2ccccc21)[C@H](CC)C(=O)[O-] ZINC000518470875 1021214220 /nfs/dbraw/zinc/21/42/20/1021214220.db2.gz FRKQKZDWVKVXIV-HZPDHXFCSA-N -1 0 332.444 3.694 20 0 EHADRM C[C@H]1CCN(c2cc(C(=O)Nc3cccc(Cl)c3[O-])ccn2)C1 ZINC000436805279 1021251194 /nfs/dbraw/zinc/25/11/94/1021251194.db2.gz RKHRKJNTINMAOD-NSHDSACASA-N -1 0 331.803 3.539 20 0 EHADRM C[C@@H]1CCN(c2cc(C(=O)Nc3cccc(Cl)c3[O-])ccn2)C1 ZINC000436805276 1021251413 /nfs/dbraw/zinc/25/14/13/1021251413.db2.gz RKHRKJNTINMAOD-LLVKDONJSA-N -1 0 331.803 3.539 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2nnc(C3CCCCC3)o2)s1 ZINC000296085473 1021253270 /nfs/dbraw/zinc/25/32/70/1021253270.db2.gz WFWZEPRUKJQDAO-UHFFFAOYSA-N -1 0 341.458 3.596 20 0 EHADRM CCc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccncc2)c(O)c1 ZINC000436822206 1021273427 /nfs/dbraw/zinc/27/34/27/1021273427.db2.gz SIJAMSUBXIBNDY-FQEVSTJZSA-N -1 0 332.403 3.869 20 0 EHADRM Cc1c(C(=O)N=c2cc([C@@H]3CCCO3)[nH][nH]2)oc2c1c(C)ccc2C ZINC000473857692 1021292027 /nfs/dbraw/zinc/29/20/27/1021292027.db2.gz OBTDKDCWQBRZMO-AWEZNQCLSA-N -1 0 339.395 3.607 20 0 EHADRM O=C([O-])[C@@H]1CC[N@H+](Cc2ncccc2C(F)(F)F)[C@H]2CCCC[C@@H]12 ZINC000656764889 1021296423 /nfs/dbraw/zinc/29/64/23/1021296423.db2.gz LMRXBTSHLUDJQZ-ZOWXZIJZSA-N -1 0 342.361 3.566 20 0 EHADRM CCCCc1nc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)cs1 ZINC000656766386 1021299154 /nfs/dbraw/zinc/29/91/54/1021299154.db2.gz RBRSPKIBUOPYEX-OWCLPIDISA-N -1 0 336.501 3.951 20 0 EHADRM O=C(N[C@H](c1ccccc1)C(F)F)c1cc(F)c([O-])c(Cl)c1 ZINC000436889229 1021340944 /nfs/dbraw/zinc/34/09/44/1021340944.db2.gz VLLMLXUSPLDGDE-GFCCVEGCSA-N -1 0 329.705 3.921 20 0 EHADRM Cc1ccccc1NC(=O)Cc1noc(-c2ccc(Cl)cc2[O-])n1 ZINC000436897797 1021362647 /nfs/dbraw/zinc/36/26/47/1021362647.db2.gz UJFHRMOAOVBNIG-UHFFFAOYSA-N -1 0 343.770 3.585 20 0 EHADRM O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)c1cc(F)c([O-])c(Cl)c1 ZINC000436914016 1021368804 /nfs/dbraw/zinc/36/88/04/1021368804.db2.gz XRVVYLSZXAOUFT-SJKOYZFVSA-N -1 0 349.789 3.692 20 0 EHADRM [O-]c1ccc(Cl)cc1-c1nc(-c2ccc(OCC3CC3)nc2)no1 ZINC000436922261 1021379090 /nfs/dbraw/zinc/37/90/90/1021379090.db2.gz ZQMXKUIJSYZZOX-UHFFFAOYSA-N -1 0 343.770 3.946 20 0 EHADRM Cn1ccnc1-c1noc(-c2cc(Cl)c3ccccc3c2[O-])n1 ZINC000436941342 1021401552 /nfs/dbraw/zinc/40/15/52/1021401552.db2.gz PKRMLZHKGNWBOW-UHFFFAOYSA-N -1 0 326.743 3.649 20 0 EHADRM CCOc1ccc([C@H]2CCCN2C(=O)c2c([O-])cccc2F)cc1 ZINC000436945183 1021406287 /nfs/dbraw/zinc/40/62/87/1021406287.db2.gz MGUCQTSCCMUPLT-MRXNPFEDSA-N -1 0 329.371 3.907 20 0 EHADRM O=C(NCC[C@@H](c1ccccc1)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000436953992 1021418811 /nfs/dbraw/zinc/41/88/11/1021418811.db2.gz CSAAWDUDDXFKPP-AWEZNQCLSA-N -1 0 341.304 3.997 20 0 EHADRM O=C(Nc1ccnn1Cc1ccc(Cl)cc1)c1c([O-])cccc1F ZINC000436977180 1021431776 /nfs/dbraw/zinc/43/17/76/1021431776.db2.gz DSYDPQWALPIMBR-UHFFFAOYSA-N -1 0 345.761 3.682 20 0 EHADRM CC[C@H]1CCCCN1C(=O)c1cc(F)cc(Br)c1[O-] ZINC000436995176 1021451605 /nfs/dbraw/zinc/45/16/05/1021451605.db2.gz ABCBJHSWNCTOGV-JTQLQIEISA-N -1 0 330.197 3.699 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cc1-n1cccc1)c1ccsc1 ZINC000506600645 1021517617 /nfs/dbraw/zinc/51/76/17/1021517617.db2.gz MHZIPOBNKXHSCX-UHFFFAOYSA-N -1 0 338.841 3.993 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)Nc1ccc(OC)cc1 ZINC000581703833 1021561955 /nfs/dbraw/zinc/56/19/55/1021561955.db2.gz GYRIRNZFBYESPE-KRWDZBQOSA-N -1 0 342.395 3.765 20 0 EHADRM CCCCOc1ncccc1CN=c1[n-]nc(-c2ccccc2)s1 ZINC000518789661 1021562251 /nfs/dbraw/zinc/56/22/51/1021562251.db2.gz QOUMQLDNXWAKLZ-UHFFFAOYSA-N -1 0 340.452 3.813 20 0 EHADRM CCCCCc1nnc([N-]S(=O)(=O)c2cccc(F)c2C)s1 ZINC000437168316 1021606321 /nfs/dbraw/zinc/60/63/21/1021606321.db2.gz YPUFDAIHEJQCOS-UHFFFAOYSA-N -1 0 343.449 3.519 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)NC[C@H](Cc1ccccc1)c1ccccc1 ZINC000516663482 1021622863 /nfs/dbraw/zinc/62/28/63/1021622863.db2.gz QKBZGLJJIXHRRD-LPHOPBHVSA-N -1 0 339.435 3.630 20 0 EHADRM CCCCc1nnc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)s1 ZINC000437188536 1021631285 /nfs/dbraw/zinc/63/12/85/1021631285.db2.gz PFSUQJCKTDGMGM-UHFFFAOYSA-N -1 0 345.877 3.643 20 0 EHADRM Cc1ccc(S[C@H](C)C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000439720238 1021671349 /nfs/dbraw/zinc/67/13/49/1021671349.db2.gz QDIJEIPGMBTZCC-CZUORRHYSA-N -1 0 341.432 3.691 20 0 EHADRM Cc1ccc(S[C@@H](C)C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000439720229 1021671985 /nfs/dbraw/zinc/67/19/85/1021671985.db2.gz QDIJEIPGMBTZCC-BBRMVZONSA-N -1 0 341.432 3.691 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cn2)c1 ZINC000437340907 1021736676 /nfs/dbraw/zinc/73/66/76/1021736676.db2.gz LGRUFOUXTLYFIA-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cn2)c(C)c1 ZINC000437337071 1021745064 /nfs/dbraw/zinc/74/50/64/1021745064.db2.gz KICZIZPUEXTEAG-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1ncc(C(C)(C)C)s1 ZINC000437339491 1021747146 /nfs/dbraw/zinc/74/71/46/1021747146.db2.gz VIHSDDVOGCADIA-UHFFFAOYSA-N -1 0 328.434 3.689 20 0 EHADRM CCc1cc(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)oc1CC ZINC000439929904 1021818619 /nfs/dbraw/zinc/81/86/19/1021818619.db2.gz XERGZEOVOVDSLV-MRXNPFEDSA-N -1 0 343.423 3.610 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)c2ccc(C(C)C)s2)C(=O)[O-])cc1 ZINC000439943217 1021836431 /nfs/dbraw/zinc/83/64/31/1021836431.db2.gz QDBSMNILOUMSBD-CQSZACIVSA-N -1 0 331.437 3.778 20 0 EHADRM CC[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)c1ccc(OC)cc1 ZINC000439946223 1021838886 /nfs/dbraw/zinc/83/88/86/1021838886.db2.gz OYFPMXIHGSFDRT-ZDUSSCGKSA-N -1 0 327.380 3.916 20 0 EHADRM Cc1ncc(S(=O)(=O)N[C@H](C)c2csc3ccccc23)s1 ZINC000754804353 1021869477 /nfs/dbraw/zinc/86/94/77/1021869477.db2.gz XQVDSWZKEBVIJC-SECBINFHSA-N -1 0 338.479 3.706 20 0 EHADRM CC(C)C(C)(C)[S@](=O)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000517014509 1021939912 /nfs/dbraw/zinc/93/99/12/1021939912.db2.gz CLIMNSOOWMAGPY-CWTRNNRKSA-N -1 0 347.274 3.758 20 0 EHADRM O=C([N-]c1c(F)cc(Br)cc1F)c1cc(C2CC2)no1 ZINC000441049954 1021955693 /nfs/dbraw/zinc/95/56/93/1021955693.db2.gz WXLQPGDMAWOHQD-UHFFFAOYSA-N -1 0 343.127 3.845 20 0 EHADRM Cc1nc(=NC(=O)c2ccccc2Oc2cccc(C)c2)s[n-]1 ZINC000441055089 1021957720 /nfs/dbraw/zinc/95/77/20/1021957720.db2.gz ARAZWELBBOWSIB-UHFFFAOYSA-N -1 0 325.393 3.621 20 0 EHADRM O=C([O-])c1ccc([C@@H](NC(=O)[C@H]2CC23CCCC3)C(F)(F)F)cc1 ZINC000517074557 1021984996 /nfs/dbraw/zinc/98/49/96/1021984996.db2.gz YOCNENOABVTNKG-CHWSQXEVSA-N -1 0 341.329 3.685 20 0 EHADRM CCc1noc(C)c1[N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000164882244 1021993507 /nfs/dbraw/zinc/99/35/07/1021993507.db2.gz PFIGOGHIWYKMSA-UHFFFAOYSA-N -1 0 336.457 3.888 20 0 EHADRM C[C@@H](Sc1n[n-]c(=NCc2ccccc2)s1)c1cccnc1 ZINC000341520874 1022055494 /nfs/dbraw/zinc/05/54/94/1022055494.db2.gz BXFCRLYEXQTWCW-GFCCVEGCSA-N -1 0 328.466 3.820 20 0 EHADRM CC(C)(CCc1ccccc1)NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000519406482 1022072802 /nfs/dbraw/zinc/07/28/02/1022072802.db2.gz XYHIAZJPGCIGBL-UHFFFAOYSA-N -1 0 331.456 3.795 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cn2)c1Cl ZINC000520280638 1022087164 /nfs/dbraw/zinc/08/71/64/1022087164.db2.gz QAFCTQZSMAJZDO-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1 ZINC000517174155 1022094230 /nfs/dbraw/zinc/09/42/30/1022094230.db2.gz RREZPYYCBFXUKC-UHFFFAOYSA-N -1 0 345.342 3.692 20 0 EHADRM C[C@@H]1CC[C@@](C[NH2+]Cc2csc(-c3ccccn3)n2)(CC(=O)[O-])C1 ZINC000426632130 1022094359 /nfs/dbraw/zinc/09/43/59/1022094359.db2.gz SMKIOFUOTQVLDQ-ACJLOTCBSA-N -1 0 345.468 3.576 20 0 EHADRM Cc1nc([N-]S(=O)(=O)c2ccoc2)sc1Cc1cccc(C)c1 ZINC000506829660 1022124495 /nfs/dbraw/zinc/12/44/95/1022124495.db2.gz CWRDUDYTJSNHPJ-UHFFFAOYSA-N -1 0 348.449 3.745 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cn1)c1cccc(-c2ccccc2)c1 ZINC000506837418 1022140669 /nfs/dbraw/zinc/14/06/69/1022140669.db2.gz ZZUIBVBQPVSVQC-UHFFFAOYSA-N -1 0 328.368 3.689 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nsc(-c3ccccc3)n2)c(C)c1 ZINC000476186358 1033032708 /nfs/dbraw/zinc/03/27/08/1033032708.db2.gz DTIDTXUYFHUBKM-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM O=C(N=c1[n-]nc(-c2cccc(Cl)c2)s1)N1CC2(C1)CCCC2 ZINC000548321156 1022268516 /nfs/dbraw/zinc/26/85/16/1022268516.db2.gz QNFIGMHIYFDMTK-UHFFFAOYSA-N -1 0 348.859 3.688 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)N[C@@H](C)c1cc2ccccc2s1 ZINC000519524694 1022272024 /nfs/dbraw/zinc/27/20/24/1022272024.db2.gz SBZFXAKFXFMXHT-NEPJUHHUSA-N -1 0 334.441 3.857 20 0 EHADRM Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)c(C)c1O ZINC000047383680 1022377859 /nfs/dbraw/zinc/37/78/59/1022377859.db2.gz FOTLDBDEFQRDAK-UHFFFAOYSA-N -1 0 331.437 3.689 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc(Cl)c(Br)c1 ZINC000094667733 1033052817 /nfs/dbraw/zinc/05/28/17/1033052817.db2.gz SXARCTWNLVEHFP-SSDOTTSWSA-N -1 0 334.597 3.542 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cc(Br)ccc2F)CCCC1 ZINC000036751758 1022416455 /nfs/dbraw/zinc/41/64/55/1022416455.db2.gz VKWIFEOKWLEOME-UHFFFAOYSA-N -1 0 344.180 3.562 20 0 EHADRM C[C@H]1C[C@H](C)N(C(=O)N=c2[n-]nc(SCc3ccccc3)s2)C1 ZINC000607194538 1033052380 /nfs/dbraw/zinc/05/23/80/1033052380.db2.gz WYNVILIWOWQKSG-RYUDHWBXSA-N -1 0 348.497 3.515 20 0 EHADRM O=S(=O)(NC1(c2ccccc2)CCCC1)c1ccc(F)cc1F ZINC000506198327 1022517222 /nfs/dbraw/zinc/51/72/22/1022517222.db2.gz HBSIPTAJCKQKKT-UHFFFAOYSA-N -1 0 337.391 3.713 20 0 EHADRM COc1cc(Cl)c(NC(=O)c2s[n-]c(=O)c2Cl)cc1C ZINC000426005881 1022654506 /nfs/dbraw/zinc/65/45/06/1022654506.db2.gz UJJZVVGOCKRXND-UHFFFAOYSA-N -1 0 333.196 3.725 20 0 EHADRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1ccn(-c3ccccc3)n1)CC2 ZINC000090988317 1022722530 /nfs/dbraw/zinc/72/25/30/1022722530.db2.gz FTJRBCDVTZTHJD-QBFSEMIESA-N -1 0 348.358 3.684 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)ccn1)c1cc(Cl)sc1Cl ZINC000088330259 1022751732 /nfs/dbraw/zinc/75/17/32/1022751732.db2.gz DGNXQMLEPBIOGG-UHFFFAOYSA-N -1 0 343.644 3.904 20 0 EHADRM NC(=O)CC[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000331239802 1022777626 /nfs/dbraw/zinc/77/76/26/1022777626.db2.gz OXWKVRZLANDQOM-VIFPVBQESA-N -1 0 345.226 3.867 20 0 EHADRM O[C@H](CSc1n[n-]c(=NCc2ccccc2)s1)CC1CCCC1 ZINC000473793936 1022819834 /nfs/dbraw/zinc/81/98/34/1022819834.db2.gz ZAAJKHFJYFDWER-HNNXBMFYSA-N -1 0 349.525 3.605 20 0 EHADRM O=S(=O)(N[C@@H](c1ccc(Cl)cc1)C1CCC1)c1ccco1 ZINC000188672823 1022860086 /nfs/dbraw/zinc/86/00/86/1022860086.db2.gz XJEVIPRCKFLEKQ-OAHLLOKOSA-N -1 0 325.817 3.753 20 0 EHADRM Cc1ccc(NC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])c(Cl)c1 ZINC000326513676 1022900605 /nfs/dbraw/zinc/90/06/05/1022900605.db2.gz SKLZRMUTWSKDFC-INIZCTEOSA-N -1 0 344.798 3.692 20 0 EHADRM CCCC[C@H](NC(=O)Nc1ccc2c(ccn2CCC)c1)C(=O)[O-] ZINC000517987697 1022904370 /nfs/dbraw/zinc/90/43/70/1022904370.db2.gz VCKVVBBLLCBUAC-HNNXBMFYSA-N -1 0 331.416 3.816 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1 ZINC000112266007 1022912934 /nfs/dbraw/zinc/91/29/34/1022912934.db2.gz RBROPLVWVMSHJK-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM O=C(c1ccc(Cl)cc1O)N1CCC(F)(c2ccccn2)CC1 ZINC000579363370 1022922248 /nfs/dbraw/zinc/92/22/48/1022922248.db2.gz PMDPOEDQSSQHJH-UHFFFAOYSA-N -1 0 334.778 3.542 20 0 EHADRM N#CC(=C([O-])C=Cc1ccc2c(c1)OCO2)c1nc2ccccc2s1 ZINC000046441855 1033092537 /nfs/dbraw/zinc/09/25/37/1033092537.db2.gz XAGODCPPIYHFHV-VUDGCMKMSA-N -1 0 348.383 3.915 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)s1 ZINC000438762512 1022976685 /nfs/dbraw/zinc/97/66/85/1022976685.db2.gz CLFVNOYZVFMEHO-UHFFFAOYSA-N -1 0 335.372 3.962 20 0 EHADRM CCCn1ccc2ccc(NC(=O)N3CCC[C@H](CC(=O)[O-])C3)cc21 ZINC000518138289 1023016773 /nfs/dbraw/zinc/01/67/73/1023016773.db2.gz MDKCYBJAYYSJTM-CQSZACIVSA-N -1 0 343.427 3.770 20 0 EHADRM O=C([O-])[C@@H](NCc1cnc(-c2ccccc2)s1)c1ccc(F)cc1 ZINC000426763841 1023016837 /nfs/dbraw/zinc/01/68/37/1023016837.db2.gz FANZCUPNDFMSFP-INIZCTEOSA-N -1 0 342.395 3.865 20 0 EHADRM O=C([O-])[C@@H](NCc1ccc(OCC2CC2)cc1)c1c(F)cccc1F ZINC000426747710 1023018995 /nfs/dbraw/zinc/01/89/95/1023018995.db2.gz RIDVLLWXDQZIMF-SFHVURJKSA-N -1 0 347.361 3.669 20 0 EHADRM Cc1cc(C)cc([C@@H](NCc2csc(C(C)(C)C)n2)C(=O)[O-])c1 ZINC000426761985 1023030618 /nfs/dbraw/zinc/03/06/18/1023030618.db2.gz GBRBXGUYRPPZHU-OAHLLOKOSA-N -1 0 332.469 3.973 20 0 EHADRM CCCSC[C@@H](NCc1csc(-c2cccs2)n1)C(=O)[O-] ZINC000426779884 1023040447 /nfs/dbraw/zinc/04/04/47/1023040447.db2.gz MHXHQVJUMUMUQX-LLVKDONJSA-N -1 0 342.511 3.558 20 0 EHADRM CCCSC[C@H](NCc1csc(-c2cccs2)n1)C(=O)[O-] ZINC000426779885 1023041861 /nfs/dbraw/zinc/04/18/61/1023041861.db2.gz MHXHQVJUMUMUQX-NSHDSACASA-N -1 0 342.511 3.558 20 0 EHADRM C[C@H]1CCc2nc(CN[C@H](CC(=O)[O-])c3ccc(F)cc3)sc2C1 ZINC000426766876 1023045130 /nfs/dbraw/zinc/04/51/30/1023045130.db2.gz HSTDBBIATSKXDT-XHDPSFHLSA-N -1 0 348.443 3.713 20 0 EHADRM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2cncc(Cl)c2)c1 ZINC000506994448 1023069334 /nfs/dbraw/zinc/06/93/34/1023069334.db2.gz IPENMQLGUDYFBP-NSHDSACASA-N -1 0 340.832 3.713 20 0 EHADRM CCCOc1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1 ZINC000506996014 1023069578 /nfs/dbraw/zinc/06/95/78/1023069578.db2.gz YNMYZPHMJSZDCL-UHFFFAOYSA-N -1 0 345.342 3.694 20 0 EHADRM CO[C@H](C)c1nc(=N[C@@H](C)Cc2ccccc2C(F)(F)F)s[n-]1 ZINC000509577848 1023076073 /nfs/dbraw/zinc/07/60/73/1023076073.db2.gz CIHWULKGAMNFNV-VHSXEESVSA-N -1 0 345.390 3.729 20 0 EHADRM COCCC1(CNC(=O)c2ccc([O-])c(Cl)c2)CCCCC1 ZINC000187469515 1023079181 /nfs/dbraw/zinc/07/91/81/1023079181.db2.gz QWCALEQDWVFLKK-UHFFFAOYSA-N -1 0 325.836 3.762 20 0 EHADRM COc1cccc(-c2nc(=NC(=O)c3cc(C)c(C)s3)s[n-]2)c1 ZINC000476283673 1033109914 /nfs/dbraw/zinc/10/99/14/1033109914.db2.gz IDPFCQJKCFFDQH-UHFFFAOYSA-N -1 0 345.449 3.566 20 0 EHADRM COC(C)(C)CC(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[nH][nH]1 ZINC000427165383 1023254324 /nfs/dbraw/zinc/25/43/24/1023254324.db2.gz SLLQNSJCICFMMY-UHFFFAOYSA-N -1 0 342.226 3.559 20 0 EHADRM Cc1cc(=NC(=O)c2cc3ccccc3cc2OC(F)F)[n-]nc1C ZINC000536426831 1023278838 /nfs/dbraw/zinc/27/88/38/1023278838.db2.gz PPUVZORLTPHNGC-UHFFFAOYSA-N -1 0 343.333 3.522 20 0 EHADRM CCCc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)cc1 ZINC000063234932 1033126379 /nfs/dbraw/zinc/12/63/79/1033126379.db2.gz XXCMPVXDKJIDDS-UHFFFAOYSA-N -1 0 337.828 3.986 20 0 EHADRM CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1N=c1nc(C2CC2)[n-]s1 ZINC000343799987 1033127959 /nfs/dbraw/zinc/12/79/59/1033127959.db2.gz BOBCIJSWAGYSFW-BZUAXINKSA-N -1 0 329.469 3.601 20 0 EHADRM CCCCCOc1cc(CNCc2cc(C(=O)[O-])co2)ccc1OC ZINC000276927649 1023392327 /nfs/dbraw/zinc/39/23/27/1023392327.db2.gz BAZLTXQBHUAKHH-UHFFFAOYSA-N -1 0 347.411 3.845 20 0 EHADRM CSCCCCCN=c1[n-]nc(Cc2ccc(F)cc2)s1 ZINC000548483280 1023471905 /nfs/dbraw/zinc/47/19/05/1023471905.db2.gz RUMJXGXYXDTTOZ-UHFFFAOYSA-N -1 0 325.478 3.635 20 0 EHADRM Cc1coc(-c2cc([N-]S(=O)(=O)c3cccs3)ccc2C)n1 ZINC000150803105 1023955744 /nfs/dbraw/zinc/95/57/44/1023955744.db2.gz MMEFMIWPEUZYPJ-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM CCOc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)ccc1C ZINC000550482692 1023962884 /nfs/dbraw/zinc/96/28/84/1023962884.db2.gz NZAWCNJDUNNOAC-UHFFFAOYSA-N -1 0 345.342 3.612 20 0 EHADRM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C(=O)Nc1ccc(C)cc1 ZINC000505412962 1023975898 /nfs/dbraw/zinc/97/58/98/1023975898.db2.gz DNIQOLQEPRVBAL-INIZCTEOSA-N -1 0 341.798 3.626 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)C[C@H](c2ccc(O)cc2)C2CC2)cc1 ZINC000909506436 1023980772 /nfs/dbraw/zinc/98/07/72/1023980772.db2.gz NFBMFZHXRBHFNJ-SFHVURJKSA-N -1 0 339.391 3.542 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)c2ccc3[n-]c(=S)oc3c2)n1 ZINC000167344235 1024007763 /nfs/dbraw/zinc/00/77/63/1024007763.db2.gz KHGOGXYJLBKCMM-HNNXBMFYSA-N -1 0 339.420 3.797 20 0 EHADRM CCn1c(C(=O)N=c2[nH][n-]c(-c3ccc(C)o3)c2C)cc2ccccc21 ZINC000434431605 1024025025 /nfs/dbraw/zinc/02/50/25/1024025025.db2.gz HNCSTSWAGMLZDH-UHFFFAOYSA-N -1 0 348.406 3.935 20 0 EHADRM CC(C)[C@H](Sc1ccccc1)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000522540875 1024051560 /nfs/dbraw/zinc/05/15/60/1024051560.db2.gz KMGWUFRFLZBYBP-KRWDZBQOSA-N -1 0 327.453 3.531 20 0 EHADRM CCCc1csc(CN[C@H](Cc2cccc(Cl)c2)C(=O)[O-])n1 ZINC000417562017 1024054531 /nfs/dbraw/zinc/05/45/31/1024054531.db2.gz LUSJFNJJOSWSMK-CQSZACIVSA-N -1 0 338.860 3.535 20 0 EHADRM O=C([O-])CCc1ccc(-c2cccc(CO[C@H]3CCOC3)c2)cc1F ZINC000657203738 1024083694 /nfs/dbraw/zinc/08/36/94/1024083694.db2.gz PYRFCIVJUGHHMC-SFHVURJKSA-N -1 0 344.382 3.815 20 0 EHADRM O=C([O-])c1[nH]c2ccccc2c1-c1cccc(CO[C@H]2CCOC2)c1 ZINC000657203577 1024083776 /nfs/dbraw/zinc/08/37/76/1024083776.db2.gz HOTHWIDWJXBXFX-HNNXBMFYSA-N -1 0 337.375 3.839 20 0 EHADRM Cc1ccccc1[C@H]1CCN(C(=O)N=c2nc(C(C)(C)C)[n-]s2)C1 ZINC000522620716 1024123468 /nfs/dbraw/zinc/12/34/68/1024123468.db2.gz QBRSPJKSKXHKNN-ZDUSSCGKSA-N -1 0 344.484 3.587 20 0 EHADRM Cc1[nH]c2ccc(-c3cccc4c3OCCCO4)cc2c1CC(=O)[O-] ZINC000657207257 1024130235 /nfs/dbraw/zinc/13/02/35/1024130235.db2.gz ILDVKDALQHSJJW-UHFFFAOYSA-N -1 0 337.375 3.932 20 0 EHADRM COCCCOc1ccc(-c2cc(C)ccc2OCCC(=O)[O-])cc1 ZINC000657207189 1024130413 /nfs/dbraw/zinc/13/04/13/1024130413.db2.gz JRMGWWYQJLKMIN-UHFFFAOYSA-N -1 0 344.407 3.931 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)c2cc3c(ccc(C)c3C)[nH]2)s1 ZINC000522651690 1024148587 /nfs/dbraw/zinc/14/85/87/1024148587.db2.gz FDQLHFDHHPPAQI-UHFFFAOYSA-N -1 0 328.441 3.653 20 0 EHADRM CC(=O)Nc1ccc(CNc2ccc([C@H](C)CC(=O)[O-])cc2)cc1 ZINC000417615928 1024162363 /nfs/dbraw/zinc/16/23/63/1024162363.db2.gz YKGMIZKBKUYQLX-CYBMUJFWSA-N -1 0 326.396 3.835 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CCSCc1ccccn1 ZINC000909512538 1024210751 /nfs/dbraw/zinc/21/07/51/1024210751.db2.gz GMSPNIXYNCXYMR-UHFFFAOYSA-N -1 0 344.436 3.659 20 0 EHADRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cc(F)c(F)c(F)c1 ZINC000434631222 1024211319 /nfs/dbraw/zinc/21/13/19/1024211319.db2.gz PJOWDCGDHKNYOP-UHFFFAOYSA-N -1 0 345.342 3.530 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cccc(N2CCCC2)c1 ZINC000909512712 1024234206 /nfs/dbraw/zinc/23/42/06/1024234206.db2.gz IMXSRPOUOKSCSV-UHFFFAOYSA-N -1 0 338.407 3.854 20 0 EHADRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)nn1[C@H](C)C1CC1 ZINC000909513032 1024236475 /nfs/dbraw/zinc/23/64/75/1024236475.db2.gz MHKMIEFTGCLPLU-CYBMUJFWSA-N -1 0 341.411 3.730 20 0 EHADRM Cc1ccccc1S([O-])=CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000108090642 1024236780 /nfs/dbraw/zinc/23/67/80/1024236780.db2.gz ODTBTUJISGKOLR-XMHCIUCPSA-N -1 0 335.856 3.633 20 0 EHADRM C[C@@H](CNC(=O)c1cc(Cl)ccc1OC1CCCC1)CC(=O)[O-] ZINC000262206466 1024257131 /nfs/dbraw/zinc/25/71/31/1024257131.db2.gz KIDFSWBDSWXUCX-LLVKDONJSA-N -1 0 339.819 3.502 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1)c1ccccc1F ZINC000191433978 1024311647 /nfs/dbraw/zinc/31/16/47/1024311647.db2.gz MHZLFWAEUGISHL-QWHCGFSZSA-N -1 0 329.371 3.831 20 0 EHADRM Cc1ccc(CSc2nc(O)cc(=O)n2C2CCCC2)cc1C ZINC000191474643 1024328690 /nfs/dbraw/zinc/32/86/90/1024328690.db2.gz FMFZPDRIEPDTAG-UHFFFAOYSA-N -1 0 330.453 3.973 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])C(=O)c1ccc(Cl)s1 ZINC000430094783 1024358707 /nfs/dbraw/zinc/35/87/07/1024358707.db2.gz NSPXBJDSMHBTBO-UHFFFAOYSA-N -1 0 334.155 3.721 20 0 EHADRM COc1ccc(CN=c2[n-]nc(C[C@H](C)CC(C)(C)C)o2)cc1OC ZINC000346128081 1024428560 /nfs/dbraw/zinc/42/85/60/1024428560.db2.gz IVWTYSRWNKPEIZ-ZDUSSCGKSA-N -1 0 347.459 3.736 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)c1sc2cccc(F)c2c1Cl ZINC000909445919 1024462259 /nfs/dbraw/zinc/46/22/59/1024462259.db2.gz VYZWBKFVEWUFID-ZETCQYMHSA-N -1 0 329.780 3.677 20 0 EHADRM Cn1ncc(-c2cc(F)cc(COC3CCCCC3)c2)c1C(=O)[O-] ZINC000582014016 1024480420 /nfs/dbraw/zinc/48/04/20/1024480420.db2.gz DSJXURMLMGKTTN-UHFFFAOYSA-N -1 0 332.375 3.774 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)[C@H]2CCC[C@H](F)C2)c1 ZINC000425245288 1024504185 /nfs/dbraw/zinc/50/41/85/1024504185.db2.gz ULRANMULNXAKLE-KBPBESRZSA-N -1 0 339.432 3.861 20 0 EHADRM O=C(Nc1cccc2[nH]ccc21)c1cccc(Br)c1[O-] ZINC000520737032 1024578826 /nfs/dbraw/zinc/57/88/26/1024578826.db2.gz QVTNKLGAFKVPSV-UHFFFAOYSA-N -1 0 331.169 3.888 20 0 EHADRM Cc1cccc(C)c1OCC(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000262485313 1033221879 /nfs/dbraw/zinc/22/18/79/1033221879.db2.gz IMYIITJNFHUHTA-UHFFFAOYSA-N -1 0 327.380 3.636 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2cccs2)n(C(C)(C)C)n1 ZINC000066254184 1024592074 /nfs/dbraw/zinc/59/20/74/1024592074.db2.gz QNYGFFJDYLGDDE-UHFFFAOYSA-N -1 0 341.502 3.798 20 0 EHADRM O=S(=O)(c1ccc(Cl)s1)C1=C([O-])c2ccccc2CCC1 ZINC000629169190 1024647969 /nfs/dbraw/zinc/64/79/69/1024647969.db2.gz OYDVEOLVQABGAA-GFCCVEGCSA-N -1 0 340.853 3.763 20 0 EHADRM Cc1ccnc(Oc2cc(NC(=O)[C@@H](C(=O)[O-])C(C)C)ccc2C)c1 ZINC000514676450 1024660765 /nfs/dbraw/zinc/66/07/65/1024660765.db2.gz VNIPDBPVHOOATP-KRWDZBQOSA-N -1 0 342.395 3.786 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2scnc2C2CC2)cc1C ZINC000536495854 1024670771 /nfs/dbraw/zinc/67/07/71/1024670771.db2.gz DWSAWVDBHILMBJ-UHFFFAOYSA-N -1 0 338.454 3.528 20 0 EHADRM CCOC(=O)/C(=C\c1cc(Cl)c([O-])cc1Cl)c1nccn1C ZINC000759077964 1024688145 /nfs/dbraw/zinc/68/81/45/1024688145.db2.gz XXCCMANAGHYXRM-POHAHGRESA-N -1 0 341.194 3.536 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2scnc2C2CC2)cc1CC ZINC000536497189 1024688658 /nfs/dbraw/zinc/68/86/58/1024688658.db2.gz LRKRWDPOGPTACE-UHFFFAOYSA-N -1 0 336.482 3.946 20 0 EHADRM CCn1nccc1[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000435196570 1024694178 /nfs/dbraw/zinc/69/41/78/1024694178.db2.gz NIDHMTNLJQQDBU-UHFFFAOYSA-N -1 0 341.845 3.572 20 0 EHADRM CC[C@H](C)c1nnc([C@H](C)N=c2nc(-c3ccccc3C)[n-]s2)[nH]1 ZINC000527977123 1033230332 /nfs/dbraw/zinc/23/03/32/1033230332.db2.gz DAJBIOBLMNPZOK-JQWIXIFHSA-N -1 0 342.472 3.740 20 0 EHADRM Cc1nc2ccc(S(=O)(=O)[N-]c3noc4ccccc43)cc2s1 ZINC000427745202 1024763008 /nfs/dbraw/zinc/76/30/08/1024763008.db2.gz CETPWALGINNIPP-UHFFFAOYSA-N -1 0 345.405 3.547 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 ZINC000427758282 1024778473 /nfs/dbraw/zinc/77/84/73/1024778473.db2.gz JCYGRUWSZLPQAY-LBPRGKRZSA-N -1 0 329.396 3.837 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 ZINC000427758271 1024778952 /nfs/dbraw/zinc/77/89/52/1024778952.db2.gz JCYGRUWSZLPQAY-GFCCVEGCSA-N -1 0 329.396 3.837 20 0 EHADRM C/C=C\COC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC000214397656 1024829734 /nfs/dbraw/zinc/82/97/34/1024829734.db2.gz WWLYOFJJLJOAOE-ARJAWSKDSA-N -1 0 345.420 3.529 20 0 EHADRM O=C([O-])CN(C(=O)N[C@H]1CCSc2ccccc21)C1CCCCC1 ZINC000684711578 1024867979 /nfs/dbraw/zinc/86/79/79/1024867979.db2.gz NHEDXBBQFJHFER-HNNXBMFYSA-N -1 0 348.468 3.652 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nc3c(s2)c(Cl)ccc3C)o1 ZINC000508080835 1024881454 /nfs/dbraw/zinc/88/14/54/1024881454.db2.gz AKJKKVYECDDNOC-UHFFFAOYSA-N -1 0 342.829 3.960 20 0 EHADRM Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)CC(C)(C)CC(=O)[O-] ZINC000435418649 1024906327 /nfs/dbraw/zinc/90/63/27/1024906327.db2.gz QYOHBYUSVLAFAZ-CYBMUJFWSA-N -1 0 345.361 3.996 20 0 EHADRM CCc1[nH]nc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)c1C ZINC000508191611 1024944856 /nfs/dbraw/zinc/94/48/56/1024944856.db2.gz CNZGPCVGAQTFKU-UHFFFAOYSA-N -1 0 341.436 3.748 20 0 EHADRM C[C@@H]1CCC[C@@H](NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)C1 ZINC000684720418 1024973352 /nfs/dbraw/zinc/97/33/52/1024973352.db2.gz YRRRVYBCPQFSLS-SIXLDLHFSA-N -1 0 330.428 3.565 20 0 EHADRM CC(C)C[C@H](C(=O)[O-])N(C)C(=O)NCc1csc2ccccc12 ZINC000684722773 1025017387 /nfs/dbraw/zinc/01/73/87/1025017387.db2.gz OLOJJPWELLHDCD-CQSZACIVSA-N -1 0 334.441 3.542 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)N(C)[C@H](CC(C)C)C(=O)[O-] ZINC000684724459 1025029862 /nfs/dbraw/zinc/02/98/62/1025029862.db2.gz ZTQJGGHTMHMEJW-UKRRQHHQSA-N -1 0 346.427 3.943 20 0 EHADRM Cc1oc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)nc1C1CC1 ZINC000515172871 1025070763 /nfs/dbraw/zinc/07/07/63/1025070763.db2.gz OXOFZSWYFRZPQD-UHFFFAOYSA-N -1 0 344.795 3.595 20 0 EHADRM CC[C@H](Oc1nc[n-]c(=O)c1Br)c1ccccc1F ZINC001226723378 1025092907 /nfs/dbraw/zinc/09/29/07/1025092907.db2.gz WYRRIOQSKOBSED-JTQLQIEISA-N -1 0 327.153 3.614 20 0 EHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000435715881 1025102097 /nfs/dbraw/zinc/10/20/97/1025102097.db2.gz CVGFIXFUFJZWPG-UHFFFAOYSA-N -1 0 349.383 3.998 20 0 EHADRM COc1cc(C)c([N-]S(=O)(=O)c2cccc(Cl)c2F)cc1C ZINC000435723930 1025107180 /nfs/dbraw/zinc/10/71/80/1025107180.db2.gz VRHRMAZYVWLQIH-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM Cc1nc([C@H](C)NC(=O)[C@@H]2CCCC[C@@H]2C2CC2)sc1C(=O)[O-] ZINC000582065619 1025136986 /nfs/dbraw/zinc/13/69/86/1025136986.db2.gz YXIMHCHNBLCQDJ-CYZMBNFOSA-N -1 0 336.457 3.543 20 0 EHADRM O=S(=O)(C[C@H]1CCCCO1)[N-]c1ccccc1Oc1ccccc1 ZINC000521059925 1025191321 /nfs/dbraw/zinc/19/13/21/1025191321.db2.gz PJCRYPLVHGOTRH-MRXNPFEDSA-N -1 0 347.436 3.790 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1nc(C(C)(C)C)cs1 ZINC000444052156 1025203866 /nfs/dbraw/zinc/20/38/66/1025203866.db2.gz QTGLSWWOLMGJKG-UHFFFAOYSA-N -1 0 342.511 3.963 20 0 EHADRM Cc1cc(C(=O)[O-])cc(-n2cc(N)c3cc(Br)ccc32)c1 ZINC001211539546 1025222576 /nfs/dbraw/zinc/22/25/76/1025222576.db2.gz YRQXMMWKAFJWON-UHFFFAOYSA-N -1 0 345.196 3.982 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)cc(F)c1F)c1c(F)cccc1F ZINC000442244247 1025223513 /nfs/dbraw/zinc/22/35/13/1025223513.db2.gz XJMKFAJFOIXQLX-UHFFFAOYSA-N -1 0 339.697 3.697 20 0 EHADRM Cc1cccc(-c2noc(-c3nc[n-]c3C(=O)c3ccccc3)n2)c1F ZINC000685382329 1033267489 /nfs/dbraw/zinc/26/74/89/1033267489.db2.gz OCRKUMHFKUSCFQ-UHFFFAOYSA-N -1 0 348.337 3.805 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000262258949 1025226213 /nfs/dbraw/zinc/22/62/13/1025226213.db2.gz XKFPJYFHRKBZGA-VXGBXAGGSA-N -1 0 342.222 3.595 20 0 EHADRM Cc1ccc(-c2c[nH]cc2C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)s1 ZINC000909477919 1025246529 /nfs/dbraw/zinc/24/65/29/1025246529.db2.gz KYLZRUKXRMYFRE-ZDUSSCGKSA-N -1 0 346.452 3.769 20 0 EHADRM O=C([O-])[C@@H]1CCCCCN1C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000684748004 1025247460 /nfs/dbraw/zinc/24/74/60/1025247460.db2.gz FVHMYZLAJICQFT-ZDUSSCGKSA-N -1 0 344.333 3.653 20 0 EHADRM CCC[C@@H]1CCC[C@H]1C(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC000515501206 1025291575 /nfs/dbraw/zinc/29/15/75/1025291575.db2.gz XVZGJHYOBKDLMZ-DGCLKSJQSA-N -1 0 335.400 3.557 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCc1ccc(Cl)cc1 ZINC000262372555 1025357526 /nfs/dbraw/zinc/35/75/26/1025357526.db2.gz KFJOUFMMODFDDQ-BMFZPTHFSA-N -1 0 335.831 3.517 20 0 EHADRM CCCC[C@@H](NC(=O)N[C@H](C)c1oc2ccccc2c1C)C(=O)[O-] ZINC000521417005 1025378198 /nfs/dbraw/zinc/37/81/98/1025378198.db2.gz ISULNLOZYMQICM-TZMCWYRMSA-N -1 0 332.400 3.745 20 0 EHADRM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000342427868 1025387981 /nfs/dbraw/zinc/38/79/81/1025387981.db2.gz NIUSRUNCDUSCLA-UHFFFAOYSA-N -1 0 335.473 3.574 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)nn1-c1ccc(C)cc1 ZINC000191033456 1025401483 /nfs/dbraw/zinc/40/14/83/1025401483.db2.gz YMCVXUWNNUSEIN-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)Nc1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000521488614 1025417478 /nfs/dbraw/zinc/41/74/78/1025417478.db2.gz VJKPNZOGYBFWPO-GXFFZTMASA-N -1 0 346.349 3.802 20 0 EHADRM CCC(C)(C)[C@@H]1CCCN1C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000582170174 1025502293 /nfs/dbraw/zinc/50/22/93/1025502293.db2.gz ALMOWXQLKDVPNW-INIZCTEOSA-N -1 0 345.418 3.758 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)N=c1cc(C)c(C)n[n-]1 ZINC000467467751 1025523733 /nfs/dbraw/zinc/52/37/33/1025523733.db2.gz ILUKPSBGSYXJNF-GOSISDBHSA-N -1 0 340.471 3.699 20 0 EHADRM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000329054359 1025581725 /nfs/dbraw/zinc/58/17/25/1025581725.db2.gz HUDQFSVFMYARJM-VBNZEHGJSA-N -1 0 341.411 3.575 20 0 EHADRM CO[C@H]1CCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])[C@@H](C)C1 ZINC000442897670 1025583650 /nfs/dbraw/zinc/58/36/50/1025583650.db2.gz JHDKRRAEECBSEN-RYUDHWBXSA-N -1 0 333.815 3.838 20 0 EHADRM CC[C@@H](NC(=O)NC[C@@H](C(=O)[O-])C1CCC1)c1cccc(Cl)c1 ZINC000665301599 1025636158 /nfs/dbraw/zinc/63/61/58/1025636158.db2.gz BIQBJBDYBYTGJY-HUUCEWRRSA-N -1 0 338.835 3.591 20 0 EHADRM Cc1occc1C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000342462221 1025648721 /nfs/dbraw/zinc/64/87/21/1025648721.db2.gz MUTOIBYFWYVCJS-UHFFFAOYSA-N -1 0 330.565 3.962 20 0 EHADRM C[C@@H]1CC2(CCC2)CN1C(=O)c1cc(Br)c(F)cc1[O-] ZINC000451193837 1025665291 /nfs/dbraw/zinc/66/52/91/1025665291.db2.gz JXEUGVXAKYASSV-SECBINFHSA-N -1 0 342.208 3.699 20 0 EHADRM CCC[C@@H](NC(=O)N=c1[n-]ncs1)c1ccc(Cl)c(Cl)c1 ZINC000521806731 1025680356 /nfs/dbraw/zinc/68/03/56/1025680356.db2.gz JITVVHJKGXXNGW-LLVKDONJSA-N -1 0 345.255 3.930 20 0 EHADRM C[C@H](OCC(F)(F)F)c1noc(Cc2ccc(O)c(Cl)c2)n1 ZINC000896613952 1025712028 /nfs/dbraw/zinc/71/20/28/1025712028.db2.gz AKLLJBOLBCJOBI-ZETCQYMHSA-N -1 0 336.697 3.659 20 0 EHADRM O=C([O-])CC1(CC(=O)N[C@@H]2CCCc3ccc(F)cc32)CCCC1 ZINC000530372171 1025720597 /nfs/dbraw/zinc/72/05/97/1025720597.db2.gz QDZJGQJDQXFTOY-MRXNPFEDSA-N -1 0 333.403 3.745 20 0 EHADRM Cc1oc2ccccc2c1C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000909496170 1025742172 /nfs/dbraw/zinc/74/21/72/1025742172.db2.gz YJYDIZVNIUHNPA-ZDUSSCGKSA-N -1 0 329.396 3.704 20 0 EHADRM CCCC[C@H](NC(=O)c1cccc(OC2CCCCC2)c1)C(=O)[O-] ZINC000347257955 1025748306 /nfs/dbraw/zinc/74/83/06/1025748306.db2.gz IYZHPUWBMFRTKH-KRWDZBQOSA-N -1 0 333.428 3.771 20 0 EHADRM O=C(NOCC(F)F)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000760140080 1025750371 /nfs/dbraw/zinc/75/03/71/1025750371.db2.gz ABTZUYATYUVNCH-UHFFFAOYSA-N -1 0 327.714 3.639 20 0 EHADRM CCCC[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000347256086 1025763320 /nfs/dbraw/zinc/76/33/20/1025763320.db2.gz FGHJPNUJSHHQTK-BZPMIXESSA-N -1 0 344.238 3.857 20 0 EHADRM CCCC[C@H](NC(=O)[C@@H](Oc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000347263133 1025763535 /nfs/dbraw/zinc/76/35/35/1025763535.db2.gz QAJCROPJMIAPOO-ROUUACIJSA-N -1 0 341.407 3.566 20 0 EHADRM C/C=C\C[C@H](NC(=O)N[C@H](C)c1oc2ccccc2c1C)C(=O)[O-] ZINC000582285234 1025765441 /nfs/dbraw/zinc/76/54/41/1025765441.db2.gz VJKKGCLPSZMHHE-QDSCNLCFSA-N -1 0 330.384 3.521 20 0 EHADRM CCOc1ccc(N(CC)C(=O)N=c2[n-]nc(CC(C)C)s2)cc1 ZINC000436499066 1025785376 /nfs/dbraw/zinc/78/53/76/1025785376.db2.gz UWIBANGNCCQFOW-UHFFFAOYSA-N -1 0 348.472 3.616 20 0 EHADRM CCOCCOCc1cccc(NC(=O)c2ccc(Cl)cc2[O-])c1 ZINC000436489241 1025792423 /nfs/dbraw/zinc/79/24/23/1025792423.db2.gz NATKRAGEJQGUJB-UHFFFAOYSA-N -1 0 349.814 3.851 20 0 EHADRM Cc1cc(=NC(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)[n-]nc1C ZINC000467468564 1025800517 /nfs/dbraw/zinc/80/05/17/1025800517.db2.gz KIUKQRWYAKNZAM-GOSISDBHSA-N -1 0 336.439 3.589 20 0 EHADRM O=C(NCCCCCOC1CCCCC1)c1cc(F)c([O-])c(F)c1 ZINC000436521832 1025820004 /nfs/dbraw/zinc/82/00/04/1025820004.db2.gz HXKJBPUNKOPQBL-UHFFFAOYSA-N -1 0 341.398 3.920 20 0 EHADRM CCOc1ccc(NC(=O)c2cc(F)c([O-])c(F)c2)cc1Cl ZINC000436532541 1025840738 /nfs/dbraw/zinc/84/07/38/1025840738.db2.gz RXEOQGFVQQZBPX-UHFFFAOYSA-N -1 0 327.714 3.975 20 0 EHADRM CCN(C(=O)c1ccc2c(c1O)OC(C)(C)C2)c1ccccc1OC ZINC000436535324 1025844233 /nfs/dbraw/zinc/84/42/33/1025844233.db2.gz RXVZRTGYPRZILI-UHFFFAOYSA-N -1 0 341.407 3.781 20 0 EHADRM COC(=O)c1ccc(O)c(NC(=O)CSc2cc(C)ccc2C)c1 ZINC000436517383 1025848569 /nfs/dbraw/zinc/84/85/69/1025848569.db2.gz ZHBBXCRJTZQMHK-UHFFFAOYSA-N -1 0 345.420 3.526 20 0 EHADRM CN(Cc1cc[nH]n1)C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436547292 1025851125 /nfs/dbraw/zinc/85/11/25/1025851125.db2.gz JOMSONBXRANIAS-UHFFFAOYSA-N -1 0 341.798 3.708 20 0 EHADRM O=C(Nc1ccc(N2CCCCC2)cn1)c1cc(Cl)ccc1[O-] ZINC000436537559 1025867012 /nfs/dbraw/zinc/86/70/12/1025867012.db2.gz HQRKZFHTUHHISO-UHFFFAOYSA-N -1 0 331.803 3.683 20 0 EHADRM O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(Cl)cc1[O-] ZINC000436557399 1025875743 /nfs/dbraw/zinc/87/57/43/1025875743.db2.gz NTJXXKPAESVOAA-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM CC(C)(NC(=O)c1cc(F)ccc1O)c1nc(C(F)(F)F)cs1 ZINC000436570788 1025899500 /nfs/dbraw/zinc/89/95/00/1025899500.db2.gz BDHSRPSAKKMILY-UHFFFAOYSA-N -1 0 348.321 3.672 20 0 EHADRM COc1ccccc1CCN(C)C(=O)c1ccc(C(C)C)cc1O ZINC000436570640 1025900803 /nfs/dbraw/zinc/90/08/03/1025900803.db2.gz RJQYHLBJPGMYPB-UHFFFAOYSA-N -1 0 327.424 3.839 20 0 EHADRM CCc1c(NC(=O)c2c([O-])cccc2F)cnn1-c1cccc(C)c1 ZINC000436593094 1025910491 /nfs/dbraw/zinc/91/04/91/1025910491.db2.gz CJXYMBNIAIIURE-UHFFFAOYSA-N -1 0 339.370 3.840 20 0 EHADRM CC[C@H](c1ccccc1)N(CC)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000665316436 1025912110 /nfs/dbraw/zinc/91/21/10/1025912110.db2.gz FPGJQWJEWCRMBN-DLBZAZTESA-N -1 0 332.444 3.670 20 0 EHADRM C[C@@H](Cc1cccc(O)c1)NC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000436602041 1025932904 /nfs/dbraw/zinc/93/29/04/1025932904.db2.gz JLRYKSUDKAXHGN-VIFPVBQESA-N -1 0 340.206 3.766 20 0 EHADRM O=S(=O)([N-]c1cnc2c(c1)CCCC2)c1cc(F)ccc1Cl ZINC000542002459 1025934460 /nfs/dbraw/zinc/93/44/60/1025934460.db2.gz JKZIMWKMDSJJQA-UHFFFAOYSA-N -1 0 340.807 3.554 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N[C@@H]2CCC[C@H]2c2ccccc2)s1 ZINC000522072406 1025938937 /nfs/dbraw/zinc/93/89/37/1025938937.db2.gz LVLBRGMEOIEFPB-LSDHHAIUSA-N -1 0 344.484 3.616 20 0 EHADRM CC(C)C(=O)Nc1ccc(NC(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000436633431 1025961468 /nfs/dbraw/zinc/96/14/68/1025961468.db2.gz BCRLHWGXCGKPAM-UHFFFAOYSA-N -1 0 334.322 3.517 20 0 EHADRM CCOCCC1(CNC(=O)c2cc(F)cc(Cl)c2[O-])CCCC1 ZINC000436637905 1025967618 /nfs/dbraw/zinc/96/76/18/1025967618.db2.gz CSSSKILVQKDEGY-UHFFFAOYSA-N -1 0 343.826 3.902 20 0 EHADRM O=C(NCCCc1ccccc1F)c1cc(F)c([O-])c(Cl)c1 ZINC000436638435 1025969224 /nfs/dbraw/zinc/96/92/24/1025969224.db2.gz DTEUMFISHLKOKV-UHFFFAOYSA-N -1 0 325.742 3.686 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(-c3ccccc3)[nH]n2)c1 ZINC000436650758 1025977286 /nfs/dbraw/zinc/97/72/86/1025977286.db2.gz BTCSGIWWCDCQSQ-UHFFFAOYSA-N -1 0 335.363 3.627 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cnc([C@H]3CCCO3)s2)c1 ZINC000436652683 1025980610 /nfs/dbraw/zinc/98/06/10/1025980610.db2.gz PTLWYWYMHCAEKA-CQSZACIVSA-N -1 0 346.408 3.545 20 0 EHADRM Cc1ccc(CCC(=O)N=c2nc(-c3ccccc3)[n-]s2)c(C)c1 ZINC000614688993 1025989074 /nfs/dbraw/zinc/98/90/74/1025989074.db2.gz BPKWUBIZCHZGIJ-UHFFFAOYSA-N -1 0 337.448 3.815 20 0 EHADRM CC1(C)Cc2cccc(S(=O)(=O)[N-]c3ccc4cc[nH]c4c3)c2O1 ZINC000443408888 1025989145 /nfs/dbraw/zinc/98/91/45/1025989145.db2.gz VDKSOSZWSDLYIC-UHFFFAOYSA-N -1 0 342.420 3.682 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cccc3c2OCC3(C)C)c1 ZINC000436648047 1025997510 /nfs/dbraw/zinc/99/75/10/1025997510.db2.gz KSVAFTVLELCHOQ-UHFFFAOYSA-N -1 0 339.391 3.907 20 0 EHADRM CCOc1cccc(S(=O)(=O)[N-]c2cccc(C(C)(C)C)c2O)c1 ZINC000443405452 1026002340 /nfs/dbraw/zinc/00/23/40/1026002340.db2.gz JOWHECMOIIYPEI-UHFFFAOYSA-N -1 0 349.452 3.889 20 0 EHADRM COc1ccc(CSc2n[n-]c(=Nc3cccc(F)c3)s2)cn1 ZINC000443413835 1026013742 /nfs/dbraw/zinc/01/37/42/1026013742.db2.gz CYIRNVDBIBIBEQ-UHFFFAOYSA-N -1 0 348.428 3.539 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(C)ccc2-n2ccnc2)c1 ZINC000436657340 1026017941 /nfs/dbraw/zinc/01/79/41/1026017941.db2.gz LHSCEZYJZYUGHW-UHFFFAOYSA-N -1 0 349.390 3.731 20 0 EHADRM O=C([O-])[C@H](CNC(=O)N1CCCC[C@H]1c1ccc(F)cc1)C1CCC1 ZINC000665324308 1026019671 /nfs/dbraw/zinc/01/96/71/1026019671.db2.gz PHOUWNAFXSIWPZ-SJORKVTESA-N -1 0 348.418 3.563 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2ccc(C)c(Br)c2)c1 ZINC000436680786 1026030238 /nfs/dbraw/zinc/03/02/38/1026030238.db2.gz PBNUBOCXSOKJGI-UHFFFAOYSA-N -1 0 348.196 3.918 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CSc2ccc(C)cc2C)c1 ZINC000436681041 1026031708 /nfs/dbraw/zinc/03/17/08/1026031708.db2.gz PXYBYDYPSFPBTO-UHFFFAOYSA-N -1 0 329.421 3.942 20 0 EHADRM CO[C@H](C)c1nc(=NC(=O)c2ccc(C)c(Cl)c2Cl)s[n-]1 ZINC000451498110 1026044868 /nfs/dbraw/zinc/04/48/68/1026044868.db2.gz NKBARHBLZLGBQX-SSDOTTSWSA-N -1 0 346.239 3.535 20 0 EHADRM Cn1nc(-c2ccsc2)cc1NC(=O)c1cc(Cl)ccc1[O-] ZINC000436714769 1026082559 /nfs/dbraw/zinc/08/25/59/1026082559.db2.gz JCNOVGRNHDHDAM-UHFFFAOYSA-N -1 0 333.800 3.760 20 0 EHADRM C[C@H]1Oc2cc(F)ccc2[C@H]1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436739604 1026106467 /nfs/dbraw/zinc/10/64/67/1026106467.db2.gz OUMFXWGOHGFRBT-UOWDBTKRSA-N -1 0 339.725 3.576 20 0 EHADRM CCC(CC)(NC(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000342542971 1026200084 /nfs/dbraw/zinc/20/00/84/1026200084.db2.gz HTWWFWJOBDOTPU-OLZOCXBDSA-N -1 0 343.345 3.569 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CC[C@H](CC(F)(F)F)C1 ZINC000277601656 1026263660 /nfs/dbraw/zinc/26/36/60/1026263660.db2.gz OSJHUELGQZFXFG-MRVPVSSYSA-N -1 0 330.331 3.531 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N[C@@H]2CCCc3sccc32)s1 ZINC000342564197 1026300458 /nfs/dbraw/zinc/30/04/58/1026300458.db2.gz CIOJZXMQNWTPMM-LLVKDONJSA-N -1 0 336.486 3.563 20 0 EHADRM CC[C@@](C)(NC(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C)C(=O)[O-] ZINC000262454935 1026342967 /nfs/dbraw/zinc/34/29/67/1026342967.db2.gz PWQSBCJMZUIPOK-VBKZILBWSA-N -1 0 342.439 3.697 20 0 EHADRM CCC[C@H](NC(=O)Cc1cccc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC000347358689 1026372190 /nfs/dbraw/zinc/37/21/90/1026372190.db2.gz ZQLCOPGCVPXXNR-KRWDZBQOSA-N -1 0 347.361 3.863 20 0 EHADRM CCSCC[C@H](C)N(C)C(=O)c1cccc(Br)c1[O-] ZINC000530958628 1026435090 /nfs/dbraw/zinc/43/50/90/1026435090.db2.gz CALIIAQENOZSNK-JTQLQIEISA-N -1 0 346.290 3.758 20 0 EHADRM CCOc1cccc([N-]S(=O)(=O)c2cccc3ccc(C)nc32)c1 ZINC000531008851 1026479489 /nfs/dbraw/zinc/47/94/89/1026479489.db2.gz GJMKYZXJSWTOKH-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM C[C@H]1CC(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)C[C@H](C)O1 ZINC000192874624 1026549021 /nfs/dbraw/zinc/54/90/21/1026549021.db2.gz XSCNOWDFTCYVMJ-UWVGGRQHSA-N -1 0 333.409 3.742 20 0 EHADRM Cc1cnc([C@@H](N=c2[n-]nc(-c3ccccc3)s2)C2CC2)s1 ZINC000531146639 1026630716 /nfs/dbraw/zinc/63/07/16/1026630716.db2.gz BGCPOEWWXZQHOO-ZDUSSCGKSA-N -1 0 328.466 3.955 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)[C@H](C)C(C)C)n2)c1 ZINC000531465412 1026944195 /nfs/dbraw/zinc/94/41/95/1026944195.db2.gz KVJNBSKEANKKDW-CQSZACIVSA-N -1 0 329.444 3.818 20 0 EHADRM COC[C@H](C)Oc1cccc(-c2nc(C(=O)[O-])c(C3CC3)s2)c1 ZINC000563437356 1026953208 /nfs/dbraw/zinc/95/32/08/1026953208.db2.gz IBPALQVHYPULGQ-JTQLQIEISA-N -1 0 333.409 3.799 20 0 EHADRM O=C(c1cc(Br)c(F)cc1[O-])N1CC[C@@H](C2CCC2)C1 ZINC000665685068 1026976063 /nfs/dbraw/zinc/97/60/63/1026976063.db2.gz ORMDDTJCEUTLTG-SNVBAGLBSA-N -1 0 342.208 3.556 20 0 EHADRM Cc1ccc(C)c([N-]S(=O)(=O)c2cccc3ccc(C)nc32)c1 ZINC000531486291 1026979809 /nfs/dbraw/zinc/97/98/09/1026979809.db2.gz AQTKACVHJZKHLA-UHFFFAOYSA-N -1 0 326.421 3.961 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccc(-c3nccs3)cc2)[C@@H](C(=O)[O-])C1 ZINC000582703746 1026998699 /nfs/dbraw/zinc/99/86/99/1026998699.db2.gz LFGGXNMYGQWUJV-SMDDNHRTSA-N -1 0 345.424 3.527 20 0 EHADRM CC(C)c1nc(S(=O)(=O)[N-]c2ccccc2NC(C)(C)C)c[nH]1 ZINC000685001607 1027022456 /nfs/dbraw/zinc/02/24/56/1027022456.db2.gz FXZFEQJPOLDCBW-UHFFFAOYSA-N -1 0 336.461 3.544 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1C ZINC000342785400 1027038936 /nfs/dbraw/zinc/03/89/36/1027038936.db2.gz UWOUBRQTPBSXHZ-MRVPVSSYSA-N -1 0 333.866 3.678 20 0 EHADRM Cc1coc(-c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)n1 ZINC000126820096 1027244725 /nfs/dbraw/zinc/24/47/25/1027244725.db2.gz CRVGPAQEXIBBKX-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000126921002 1027254701 /nfs/dbraw/zinc/25/47/01/1027254701.db2.gz ICKIRNAGTIEOAN-UHFFFAOYSA-N -1 0 328.393 3.814 20 0 EHADRM CC(C)(C)Cc1n[n-]c(=NCc2cnc(-c3ccccc3F)s2)o1 ZINC000453045067 1027256788 /nfs/dbraw/zinc/25/67/88/1027256788.db2.gz IABVJFQSJFHCLO-UHFFFAOYSA-N -1 0 346.431 3.955 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000414439514 1027325779 /nfs/dbraw/zinc/32/57/79/1027325779.db2.gz LAOBRTOUQBIZJL-OAQYLSRUSA-N -1 0 335.403 3.585 20 0 EHADRM CN(c1ccccc1)C1CCN(C(=O)c2ccc(Cl)cc2O)CC1 ZINC000127626523 1027333177 /nfs/dbraw/zinc/33/31/77/1027333177.db2.gz MQUOATDHPPHBKP-UHFFFAOYSA-N -1 0 344.842 3.787 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cccc3ccncc32)c1 ZINC000531781754 1027370468 /nfs/dbraw/zinc/37/04/68/1027370468.db2.gz WKALQXYVDSWSNQ-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM CCN(CCc1cccs1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000273369719 1027398760 /nfs/dbraw/zinc/39/87/60/1027398760.db2.gz KQAFVBPKSSHFCA-UHFFFAOYSA-N -1 0 329.343 3.576 20 0 EHADRM COc1cc(CNC(=O)c2cccc(Cl)c2[O-])c2ccccc2n1 ZINC001126599921 1027418402 /nfs/dbraw/zinc/41/84/02/1027418402.db2.gz GSJWRMPWVAXGRM-UHFFFAOYSA-N -1 0 342.782 3.532 20 0 EHADRM COc1ccc(-c2csc3ncnc(SCCC(=O)[O-])c23)cc1 ZINC000582741184 1027472462 /nfs/dbraw/zinc/47/24/62/1027472462.db2.gz SSFBPHILJLUJTL-UHFFFAOYSA-N -1 0 346.433 3.934 20 0 EHADRM CCC(C)(C)OCc1ccccc1NC(=O)[C@H]1CCC[C@@H]1C(=O)[O-] ZINC000634828998 1027521278 /nfs/dbraw/zinc/52/12/78/1027521278.db2.gz KKTPQRNRAYLPOX-GJZGRUSLSA-N -1 0 333.428 3.831 20 0 EHADRM Cc1cc(NC(=O)COc2ccccc2Cl)cc(C(=O)[O-])c1C ZINC000320924580 1027568513 /nfs/dbraw/zinc/56/85/13/1027568513.db2.gz QVTJZXDPHXSIBG-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM CC(C)(NCc1cccc(C(=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000414643770 1027658763 /nfs/dbraw/zinc/65/87/63/1027658763.db2.gz YDMZUHLCLBSMJS-UHFFFAOYSA-N -1 0 344.358 3.885 20 0 EHADRM Cc1cccc(-c2noc(-c3ccc(N(C)CC(=O)[O-])cc3)n2)c1C ZINC001211942898 1027772802 /nfs/dbraw/zinc/77/28/02/1027772802.db2.gz VNEIFWBZOGKSQT-UHFFFAOYSA-N -1 0 337.379 3.541 20 0 EHADRM CC[C@@H](NC(=O)N[C@@H](CC(C)C)C(=O)[O-])c1cccc(Cl)c1 ZINC000557778538 1027807535 /nfs/dbraw/zinc/80/75/35/1027807535.db2.gz MKFIFPVVICPNIL-KGLIPLIRSA-N -1 0 326.824 3.590 20 0 EHADRM O=C(Nc1ccccc1OC1CCCC1)c1ccc2[nH][nH]c(=O)c2c1 ZINC000666700156 1027918871 /nfs/dbraw/zinc/91/88/71/1027918871.db2.gz HTEAZUXFSMACTJ-UHFFFAOYSA-N -1 0 337.379 3.842 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CN(C(=O)CC2(C(=O)[O-])CCC2)C2CC2)o1 ZINC000262550055 1027945362 /nfs/dbraw/zinc/94/53/62/1027945362.db2.gz SWAHWPDWSPIVSS-SWLSCSKDSA-N -1 0 331.412 3.539 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)c1ccccc1SC(F)(F)F ZINC000321864537 1028011677 /nfs/dbraw/zinc/01/16/77/1028011677.db2.gz GEYRYMOKVABWEF-BXUZGUMPSA-N -1 0 347.358 3.672 20 0 EHADRM Fc1ccc(C2=CC[C@@H](N=c3[n-]nc(-c4ccon4)s3)CC2)cc1 ZINC000342914338 1028090102 /nfs/dbraw/zinc/09/01/02/1028090102.db2.gz ACQWXFVBCCCPNU-CQSZACIVSA-N -1 0 342.399 3.802 20 0 EHADRM CO[C@H](C)c1nc(=Nc2cccc(CCC(F)(F)F)c2)s[n-]1 ZINC000509539043 1028135001 /nfs/dbraw/zinc/13/50/01/1028135001.db2.gz JVLWYYRKNFIULR-SECBINFHSA-N -1 0 331.363 3.906 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)nn1C(C)C ZINC000421172541 1028171540 /nfs/dbraw/zinc/17/15/40/1028171540.db2.gz JTAOTNGXUVAVJO-UHFFFAOYSA-N -1 0 347.362 3.592 20 0 EHADRM C[C@H](C(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000532694187 1028201744 /nfs/dbraw/zinc/20/17/44/1028201744.db2.gz LYMYBEQAZCRVCU-QWRGUYRKSA-N -1 0 344.238 3.810 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2ncc(O)cc2Br)c1 ZINC001211962602 1028215460 /nfs/dbraw/zinc/21/54/60/1028215460.db2.gz JFRHKQLFRQYLJX-UHFFFAOYSA-N -1 0 343.564 3.645 20 0 EHADRM CCSc1cccc(F)c1[N-]S(=O)(=O)C[C@@H](CC(C)C)OC ZINC000421244434 1028227480 /nfs/dbraw/zinc/22/74/80/1028227480.db2.gz GBRJJPBPCSHKDH-GFCCVEGCSA-N -1 0 349.493 3.741 20 0 EHADRM CCOc1cc([N-]S(=O)(=O)c2ccc(CC)s2)ccc1OC ZINC000055631734 1028280836 /nfs/dbraw/zinc/28/08/36/1028280836.db2.gz VHOGJVHIBFAFGX-UHFFFAOYSA-N -1 0 341.454 3.519 20 0 EHADRM O=S(=O)([N-][C@@H](C1CC1)C(F)(F)F)c1ccc(Cl)cc1Cl ZINC000582927354 1028282975 /nfs/dbraw/zinc/28/29/75/1028282975.db2.gz BZLXDDQTZOISLC-JTQLQIEISA-N -1 0 348.173 3.613 20 0 EHADRM O=S(=O)([N-]c1ccncc1)c1cc(C(F)(F)F)ccc1Cl ZINC000068038821 1028385963 /nfs/dbraw/zinc/38/59/63/1028385963.db2.gz BJNSOZWDYGZLQL-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM Cc1ncsc1CSc1n[n-]c(=NC2CCCCC2)s1 ZINC000582993389 1028464414 /nfs/dbraw/zinc/46/44/14/1028464414.db2.gz UKYUEETYALWOCM-UHFFFAOYSA-N -1 0 326.516 3.762 20 0 EHADRM COc1ccc(Cl)cc1CN(C)C(=O)c1ccc([O-])c(Cl)c1 ZINC000025456202 1028478308 /nfs/dbraw/zinc/47/83/08/1028478308.db2.gz BKDKMDFBTKXFHP-UHFFFAOYSA-N -1 0 340.206 3.980 20 0 EHADRM CC(C)(C)Oc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000523730406 1028573851 /nfs/dbraw/zinc/57/38/51/1028573851.db2.gz SCLDVYHPPAUYAA-UHFFFAOYSA-N -1 0 341.379 3.943 20 0 EHADRM COc1ccc(OCc2noc(-c3ccc([O-])c(Cl)c3)n2)cc1 ZINC000445181839 1028593458 /nfs/dbraw/zinc/59/34/58/1028593458.db2.gz DOLIFPQICKLPMH-UHFFFAOYSA-N -1 0 332.743 3.683 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000236965967 1028604491 /nfs/dbraw/zinc/60/44/91/1028604491.db2.gz URGOCFOZUVYJEF-CBRVECNMSA-N -1 0 344.238 3.712 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)c1cc(C)n(C2CCCCC2)c1C)C(=O)[O-] ZINC000236965926 1028604604 /nfs/dbraw/zinc/60/46/04/1028604604.db2.gz CHVOXJITARLWFX-YVEFUNNKSA-N -1 0 334.460 3.839 20 0 EHADRM Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N[C@@H](C)CCC(=O)[O-] ZINC000237541193 1028652877 /nfs/dbraw/zinc/65/28/77/1028652877.db2.gz KMSSISPAJLJHJI-LBPRGKRZSA-N -1 0 346.452 3.718 20 0 EHADRM C[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000237513127 1028654318 /nfs/dbraw/zinc/65/43/18/1028654318.db2.gz MURNXRXWTCMQST-SNVBAGLBSA-N -1 0 326.462 3.509 20 0 EHADRM O=C(Nc1nnc(/C=C/c2ccco2)s1)c1ccc(Cl)c([O-])c1 ZINC001167651559 1028658016 /nfs/dbraw/zinc/65/80/16/1028658016.db2.gz RZWLNNSZKKTSPB-GQCTYLIASA-N -1 0 347.783 3.913 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)Cc1ccc(Cl)cc1 ZINC000237652410 1028660037 /nfs/dbraw/zinc/66/00/37/1028660037.db2.gz QQWPTFMOZIDKEK-INIZCTEOSA-N -1 0 331.799 3.523 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc(Cl)cc2)Cc2ccccc2C1 ZINC000237916381 1028669996 /nfs/dbraw/zinc/66/99/96/1028669996.db2.gz RYIUGCDOQLQVDR-UHFFFAOYSA-N -1 0 329.783 3.538 20 0 EHADRM CN=c1[n-]nc(SCCCSc2ccccc2Cl)s1 ZINC000504529552 1028714536 /nfs/dbraw/zinc/71/45/36/1028714536.db2.gz GERXYWNCTIJXQV-UHFFFAOYSA-N -1 0 331.919 3.930 20 0 EHADRM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2c(F)cc(C)cc2F)c1 ZINC000424059396 1028781194 /nfs/dbraw/zinc/78/11/94/1028781194.db2.gz BIYHRUPTTKYFMH-NSHDSACASA-N -1 0 341.379 3.781 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)c2cc3cc(F)ccc3s2)C1 ZINC000261851513 1028945063 /nfs/dbraw/zinc/94/50/63/1028945063.db2.gz JMWQNXMEYNOVQN-KRWDZBQOSA-N -1 0 335.400 3.613 20 0 EHADRM CC[C@H]1CCCC[C@@H]1NC(=O)N=c1[n-]nc(-c2ccsc2)s1 ZINC000503025163 1028983657 /nfs/dbraw/zinc/98/36/57/1028983657.db2.gz PQIMGZGCRBNFLK-JQWIXIFHSA-N -1 0 336.486 3.779 20 0 EHADRM CCC(CC)(CNC(=O)NCc1cc2ccccc2s1)C(=O)[O-] ZINC000424390279 1029041332 /nfs/dbraw/zinc/04/13/32/1029041332.db2.gz DWRBAKPJLHSARF-UHFFFAOYSA-N -1 0 334.441 3.592 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cc(Cl)cc(F)c1F)C(=O)[O-] ZINC000424390351 1029041640 /nfs/dbraw/zinc/04/16/40/1029041640.db2.gz NEZVWXIWEBLXHA-UHFFFAOYSA-N -1 0 334.750 3.631 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccnn2[C@H](C)CC(C)C)s1 ZINC000524297745 1029060577 /nfs/dbraw/zinc/06/05/77/1029060577.db2.gz XYUPFJGWGBDQCQ-GFCCVEGCSA-N -1 0 341.502 3.915 20 0 EHADRM CCSCCCc1noc(-c2ccc(Br)cc2[O-])n1 ZINC000445770916 1029105021 /nfs/dbraw/zinc/10/50/21/1029105021.db2.gz DLVDOXHCYWYOEQ-UHFFFAOYSA-N -1 0 343.246 3.890 20 0 EHADRM O=C([O-])[C@]1(CC(=O)N2CC[C@@H]2c2ccccc2)CCCc2ccccc21 ZINC000634865623 1029128778 /nfs/dbraw/zinc/12/87/78/1029128778.db2.gz ZZRDMECDNVQORH-KNQAVFIVSA-N -1 0 349.430 3.709 20 0 EHADRM Cc1cc(C(=O)N[C@H](C)CCC(=O)[O-])sc1-c1ccc(F)cc1 ZINC000237419074 1029202794 /nfs/dbraw/zinc/20/27/94/1029202794.db2.gz BZWRUOPPKNLWDW-LLVKDONJSA-N -1 0 335.400 3.846 20 0 EHADRM Cc1cc(=NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)[n-]nc1C ZINC000524508912 1029254063 /nfs/dbraw/zinc/25/40/63/1029254063.db2.gz YYMDITKOWCALGF-NEPJUHHUSA-N -1 0 336.222 3.564 20 0 EHADRM Cc1cccc(COc2cccc(C(=O)N[C@H](C)CCC(=O)[O-])c2)c1 ZINC000237426984 1029256847 /nfs/dbraw/zinc/25/68/47/1029256847.db2.gz HDALCCTUQDBOCO-OAHLLOKOSA-N -1 0 341.407 3.557 20 0 EHADRM CC1(C)CCC(CC(=O)Nc2ccccc2NS(C)(=O)=O)CC1 ZINC000154996040 1029377525 /nfs/dbraw/zinc/37/75/25/1029377525.db2.gz MOKQICZXDSJPFW-UHFFFAOYSA-N -1 0 338.473 3.603 20 0 EHADRM C[C@@H](CC(=O)NOCCC(F)(F)F)C(=O)c1ccc(Cl)cc1 ZINC000162786717 1029440131 /nfs/dbraw/zinc/44/01/31/1029440131.db2.gz ZZRKHIDYKNWIKZ-VIFPVBQESA-N -1 0 337.725 3.549 20 0 EHADRM CCc1oc(C(=O)N2CCC(C)(c3ccccc3)CC2)cc1C(=O)[O-] ZINC000261626010 1029462141 /nfs/dbraw/zinc/46/21/41/1029462141.db2.gz INPPVFVVVVSGQV-UHFFFAOYSA-N -1 0 341.407 3.734 20 0 EHADRM CCc1oc(C(=O)N2CCC[C@@H]2c2ccccc2OC)cc1C(=O)[O-] ZINC000261615244 1029475644 /nfs/dbraw/zinc/47/56/44/1029475644.db2.gz GOTNPBCRGIOWLD-CQSZACIVSA-N -1 0 343.379 3.526 20 0 EHADRM CC1(C)CCCN(C(=O)c2cccc(Br)c2[O-])CC1 ZINC000524742230 1029478913 /nfs/dbraw/zinc/47/89/13/1029478913.db2.gz GEDQLCDPWJVNMX-UHFFFAOYSA-N -1 0 326.234 3.807 20 0 EHADRM CCc1oc(C(=O)N(C)CC(C)(C)c2ccc(C)cc2)cc1C(=O)[O-] ZINC000261742833 1029494592 /nfs/dbraw/zinc/49/45/92/1029494592.db2.gz ZXSOBZLJCCHEAY-UHFFFAOYSA-N -1 0 343.423 3.898 20 0 EHADRM CC[C@@H]1c2ccccc2CCN1C(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000634898800 1029509896 /nfs/dbraw/zinc/50/98/96/1029509896.db2.gz UBURDHRKQWSUOD-RTBURBONSA-N -1 0 337.419 3.781 20 0 EHADRM Cc1cc(C(=O)[N-]c2nnc(C34CC5CC(CC(C5)C3)C4)s2)on1 ZINC000078976995 1029510291 /nfs/dbraw/zinc/51/02/91/1029510291.db2.gz BDXGGYWNUWSXEU-UHFFFAOYSA-N -1 0 344.440 3.555 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)CC3(C(=O)[O-])CCC3)ccc21 ZINC000262568304 1029605580 /nfs/dbraw/zinc/60/55/80/1029605580.db2.gz YJBZRNNOJRYXKR-UHFFFAOYSA-N -1 0 328.412 3.881 20 0 EHADRM Cc1ccc(SC2(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CCCC2)cc1 ZINC000262698485 1029625338 /nfs/dbraw/zinc/62/53/38/1029625338.db2.gz HDMFXIIIUWEZKO-CABCVRRESA-N -1 0 347.480 3.769 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)c2cccc(C)c2Cl)sc1C(=O)[O-] ZINC000262795860 1029636491 /nfs/dbraw/zinc/63/64/91/1029636491.db2.gz NTRMYQGFNJKVMV-SECBINFHSA-N -1 0 338.816 3.603 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000262809143 1029637197 /nfs/dbraw/zinc/63/71/97/1029637197.db2.gz AYKBETDFBLXPSP-DINDLPBHSA-N -1 0 341.810 3.588 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)CC2CCCCCC2)C[C@H]1c1ccccc1 ZINC000262814876 1029639160 /nfs/dbraw/zinc/63/91/60/1029639160.db2.gz DQMCLVOCAJURGT-ZWKOTPCHSA-N -1 0 329.440 3.674 20 0 EHADRM CC(C)CN(C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1)C(C)C ZINC000262944407 1029651466 /nfs/dbraw/zinc/65/14/66/1029651466.db2.gz AAVKUBWIPZGEIR-KRWDZBQOSA-N -1 0 334.460 3.539 20 0 EHADRM CC(C)[C@H](CC(=O)N1CC[C@](C(=O)[O-])(C(C)C)C1)c1ccccc1 ZINC000262935285 1029652139 /nfs/dbraw/zinc/65/21/39/1029652139.db2.gz KHXSVERUSRAQHM-FXAWDEMLSA-N -1 0 331.456 3.776 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2sccc2C)cc1Cl ZINC000525018915 1029652132 /nfs/dbraw/zinc/65/21/32/1029652132.db2.gz IVOHPTNPVIAYDR-UHFFFAOYSA-N -1 0 331.846 3.909 20 0 EHADRM CCO[C@@H](CNC(=O)c1cc(Cl)c(O)c(OC)c1)c1ccccc1 ZINC000446492028 1029661316 /nfs/dbraw/zinc/66/13/16/1029661316.db2.gz DVAMUBRDYCCPIN-INIZCTEOSA-N -1 0 349.814 3.562 20 0 EHADRM CCCC[C@@H](C)C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000263080134 1029664690 /nfs/dbraw/zinc/66/46/90/1029664690.db2.gz GWOUSAFGAIJGNT-GFCCVEGCSA-N -1 0 327.371 3.594 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)CCCCCc2cccs2)C1 ZINC000263098621 1029665750 /nfs/dbraw/zinc/66/57/50/1029665750.db2.gz VVXCVOSYQNQSCQ-SFHVURJKSA-N -1 0 337.485 3.810 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cccc(Nc3ccccc3)c2)C1 ZINC000263150034 1029670316 /nfs/dbraw/zinc/67/03/16/1029670316.db2.gz FHFHONPQRVLUJK-GOEBONIOSA-N -1 0 338.407 3.613 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000263176886 1029671012 /nfs/dbraw/zinc/67/10/12/1029671012.db2.gz GUFWFAKDQQIOFU-GUYCJALGSA-N -1 0 333.428 3.941 20 0 EHADRM CC1(c2ccccc2)CC(NC(=O)c2cc(F)c(F)cc2C(=O)[O-])C1 ZINC000634920772 1029671132 /nfs/dbraw/zinc/67/11/32/1029671132.db2.gz QIXSJJFDWZAZRX-UHFFFAOYSA-N -1 0 345.345 3.513 20 0 EHADRM Cc1ccc(SC2(C(=O)N3CC[C@@H](C(=O)[O-])[C@@H]3C)CCCC2)cc1 ZINC000263177549 1029671410 /nfs/dbraw/zinc/67/14/10/1029671410.db2.gz LHZOBPPXEZIZAW-GOEBONIOSA-N -1 0 347.480 3.722 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)CCCOc2cccc(F)c2)c1 ZINC000263200868 1029673190 /nfs/dbraw/zinc/67/31/90/1029673190.db2.gz JWUPFLPLPNJJGB-CYBMUJFWSA-N -1 0 345.370 3.812 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2cc(C(F)F)ccc2Cl)C1 ZINC000263197593 1029673448 /nfs/dbraw/zinc/67/34/48/1029673448.db2.gz WSQNHKVYPHJULF-WPRPVWTQSA-N -1 0 346.761 3.852 20 0 EHADRM CCc1c(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)[nH]c(C)c1C(C)=O ZINC000263340723 1029688979 /nfs/dbraw/zinc/68/89/79/1029688979.db2.gz RVTKRZBGGYLTDM-SNVBAGLBSA-N -1 0 342.395 3.529 20 0 EHADRM Cc1ccc(CN(Cc2ccco2)C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)s1 ZINC000263331442 1029689714 /nfs/dbraw/zinc/68/97/14/1029689714.db2.gz QAMZBVPPDGPTNB-KGLIPLIRSA-N -1 0 347.436 3.679 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)C1CC1 ZINC000263354242 1029690378 /nfs/dbraw/zinc/69/03/78/1029690378.db2.gz WNHBRHAIERAPDE-UPJWGTAASA-N -1 0 335.831 3.893 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1 ZINC000263357470 1029690589 /nfs/dbraw/zinc/69/05/89/1029690589.db2.gz XLGUYPJJWRWWES-JECHBYEQSA-N -1 0 327.355 3.756 20 0 EHADRM CCN(C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)[C@H](C)c1cc2ccccc2o1 ZINC000263363701 1029691878 /nfs/dbraw/zinc/69/18/78/1029691878.db2.gz ZEGAQNVLYULSQM-YUELXQCFSA-N -1 0 329.396 3.843 20 0 EHADRM C[C@@H](NC(=O)c1cc(Cl)ccc1OC1CCCC1)[C@@H](C)C(=O)[O-] ZINC000263430669 1029696223 /nfs/dbraw/zinc/69/62/23/1029696223.db2.gz KOBMRVUUDFMNGN-GHMZBOCLSA-N -1 0 339.819 3.500 20 0 EHADRM CCC1(C(=O)Nc2cccc(-n3ncc(C(=O)[O-])c3C)c2)CCCC1 ZINC000263445717 1029699474 /nfs/dbraw/zinc/69/94/74/1029699474.db2.gz NFVBZTIUQHKFJI-UHFFFAOYSA-N -1 0 341.411 3.788 20 0 EHADRM CCC1(C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)CCCCC1 ZINC000263478977 1029703004 /nfs/dbraw/zinc/70/30/04/1029703004.db2.gz ADZQWWGXSJNCSD-UHFFFAOYSA-N -1 0 347.455 3.907 20 0 EHADRM CCC(CC)N(CC)C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263502907 1029705358 /nfs/dbraw/zinc/70/53/58/1029705358.db2.gz WBZWZBDCQCGMSY-MRXNPFEDSA-N -1 0 334.460 3.683 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc(CC(F)(F)F)cc2)[C@H](C(=O)[O-])C1 ZINC000583359668 1029709139 /nfs/dbraw/zinc/70/91/39/1029709139.db2.gz DFTZLQCWCIDWCZ-MFKMUULPSA-N -1 0 344.333 3.508 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCC(c3ccc(Cl)cc3)CC2)C1 ZINC000263527609 1029709227 /nfs/dbraw/zinc/70/92/27/1029709227.db2.gz KTVBVUJKOVSCAM-HZPDHXFCSA-N -1 0 349.858 3.937 20 0 EHADRM C[C@H](c1ccco1)N(C(=O)c1nn(-c2ccccc2)cc1[O-])C1CC1 ZINC000162957830 1029739274 /nfs/dbraw/zinc/73/92/74/1029739274.db2.gz LAQUWJOSPGPDTH-CYBMUJFWSA-N -1 0 337.379 3.537 20 0 EHADRM Cn1ncc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1C(F)F ZINC000546617223 1029782980 /nfs/dbraw/zinc/78/29/80/1029782980.db2.gz DFAPUOQOBYJOCG-UHFFFAOYSA-N -1 0 336.125 3.622 20 0 EHADRM CC(C)c1csc([N-]S(=O)(=O)Cc2ccccc2Cl)n1 ZINC000446811352 1029800429 /nfs/dbraw/zinc/80/04/29/1029800429.db2.gz YSSBPKJESZNNFQ-UHFFFAOYSA-N -1 0 330.862 3.862 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC000583419136 1029801567 /nfs/dbraw/zinc/80/15/67/1029801567.db2.gz DBZORSQZHDOIAM-DOMZBBRYSA-N -1 0 336.432 3.795 20 0 EHADRM C[C@H](Oc1cccc(Cl)c1)c1n[n-]c(=NCc2cccs2)o1 ZINC000446886294 1029847197 /nfs/dbraw/zinc/84/71/97/1029847197.db2.gz YJROGIPENGWCLR-JTQLQIEISA-N -1 0 335.816 3.959 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)C(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000455747128 1029886687 /nfs/dbraw/zinc/88/66/87/1029886687.db2.gz FQNVVEQBNSKAMO-UHFFFAOYSA-N -1 0 345.361 3.597 20 0 EHADRM O=C([N-]S(=O)(=O)c1cccc(Cl)c1)c1ccccc1Cl ZINC000042301900 1030026725 /nfs/dbraw/zinc/02/67/25/1030026725.db2.gz NKDSETMCNGNKFR-UHFFFAOYSA-N -1 0 330.192 3.687 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(C)c3ncccc23)c1 ZINC000481861354 1030055562 /nfs/dbraw/zinc/05/55/62/1030055562.db2.gz SUWXYIDTXTZMPX-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)Cc1ccccc1-2 ZINC000016097219 1030062138 /nfs/dbraw/zinc/06/21/38/1030062138.db2.gz PMBMZZIJXSLNLR-UHFFFAOYSA-N -1 0 340.404 3.663 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)C=Cc2cccc(F)c2)s1 ZINC000042318044 1030140930 /nfs/dbraw/zinc/14/09/30/1030140930.db2.gz PSQMFGDKMHHMEO-VOTSOKGWSA-N -1 0 325.386 3.554 20 0 EHADRM COc1nc(C)ccc1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000431534081 1030244348 /nfs/dbraw/zinc/24/43/48/1030244348.db2.gz VZMRPFKCYXEZRN-UHFFFAOYSA-N -1 0 342.376 3.564 20 0 EHADRM CCc1cnc(NC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])s1 ZINC000447523469 1030245700 /nfs/dbraw/zinc/24/57/00/1030245700.db2.gz URIVVUKBXZDZFQ-UHFFFAOYSA-N -1 0 348.815 3.503 20 0 EHADRM O=S(=O)([N-]c1cccc2ccncc21)c1cccc2cccnc21 ZINC000532037524 1030301646 /nfs/dbraw/zinc/30/16/46/1030301646.db2.gz FQEKOZYFRYZBDB-UHFFFAOYSA-N -1 0 335.388 3.584 20 0 EHADRM CCCOc1cc(C)ccc1CNC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000567968883 1030433634 /nfs/dbraw/zinc/43/36/34/1030433634.db2.gz DBDJOYRULNZAEY-UHFFFAOYSA-N -1 0 347.455 3.681 20 0 EHADRM Cc1ccc(O)c([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)c1 ZINC000121895828 1030437063 /nfs/dbraw/zinc/43/70/63/1030437063.db2.gz PQXJVGBPOFDRKL-UHFFFAOYSA-N -1 0 329.780 3.602 20 0 EHADRM CCOC(=O)c1ccc(NC(=O)c2c(C)[nH]c3ccccc32)c(O)c1 ZINC000092552039 1030477063 /nfs/dbraw/zinc/47/70/63/1030477063.db2.gz FTWOHDGPHKBYLA-UHFFFAOYSA-N -1 0 338.363 3.611 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)c3ccn(Cc4ccccc4)c3)[nH][n-]2)o1 ZINC000447799547 1030483273 /nfs/dbraw/zinc/48/32/73/1030483273.db2.gz JNRRPYMUVIZIEX-UHFFFAOYSA-N -1 0 346.390 3.502 20 0 EHADRM Cc1cccc(NC(=O)C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC000122069611 1030483449 /nfs/dbraw/zinc/48/34/49/1030483449.db2.gz FXXYJKGVAXVCPZ-UHFFFAOYSA-N -1 0 339.178 3.585 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)Cc3ccc(C(F)(F)F)cc3)[nH][n-]2)o1 ZINC000447804453 1030505593 /nfs/dbraw/zinc/50/55/93/1030505593.db2.gz YQGUGFWXDNATKT-UHFFFAOYSA-N -1 0 349.312 3.600 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)C[C@H](C)c2ccccc2)c1 ZINC000532258527 1030524773 /nfs/dbraw/zinc/52/47/73/1030524773.db2.gz AFPKYKWBNIAJBA-KSSFIOAISA-N -1 0 341.407 3.521 20 0 EHADRM CC(C)C[C@@H](CNC(=O)C[C@H](C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000431536910 1030525627 /nfs/dbraw/zinc/52/56/27/1030525627.db2.gz MWDAEFMSRVINSZ-HIFRSBDPSA-N -1 0 339.863 3.772 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CC[C@@H](C(C)C)C3)n2)c1 ZINC000532285849 1030535012 /nfs/dbraw/zinc/53/50/12/1030535012.db2.gz LCJMLDFGXMBDGD-MRXNPFEDSA-N -1 0 341.455 3.819 20 0 EHADRM C[C@@H](CNC(=O)c1ccc([O-])c(Cl)c1)COCc1ccccc1 ZINC000193713883 1030603645 /nfs/dbraw/zinc/60/36/45/1030603645.db2.gz AEEUUSHTKHDFGR-ZDUSSCGKSA-N -1 0 333.815 3.628 20 0 EHADRM O=S(=O)([N-]c1nc(C2CCC2)cs1)c1cccc2cccnc21 ZINC000278403480 1030646128 /nfs/dbraw/zinc/64/61/28/1030646128.db2.gz OQFMMASYFWQWAD-UHFFFAOYSA-N -1 0 345.449 3.760 20 0 EHADRM CC[C@@](NCc1ncc(C(C)(C)C)s1)(C(=O)[O-])c1ccccc1 ZINC000901651601 1030646555 /nfs/dbraw/zinc/64/65/55/1030646555.db2.gz OWGOHUBNTIXEAI-SFHVURJKSA-N -1 0 332.469 3.920 20 0 EHADRM C[C@@H]1C[C@H](C)CCN(C(=O)N=c2[n-]nc(/C=C\c3ccco3)s2)C1 ZINC000343390420 1030655580 /nfs/dbraw/zinc/65/55/80/1030655580.db2.gz CVWSFLUMSZKNIF-NTQVKLLNSA-N -1 0 346.456 3.623 20 0 EHADRM Cc1ccc(Nc2cn3cc(Br)ccc3n2)cc1C(=O)[O-] ZINC001211596813 1030698432 /nfs/dbraw/zinc/69/84/32/1030698432.db2.gz LJTNGJJPVXESKR-UHFFFAOYSA-N -1 0 346.184 3.847 20 0 EHADRM CC[C@@H](NC(=O)N=c1ccc(C2CC2)n[n-]1)c1ccc(Cl)cc1 ZINC000448154588 1030776830 /nfs/dbraw/zinc/77/68/30/1030776830.db2.gz IVVUVPRLLLACSO-CQSZACIVSA-N -1 0 330.819 3.702 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000448155988 1030779623 /nfs/dbraw/zinc/77/96/23/1030779623.db2.gz NQBDNDBINGUXSF-FUHWJXTLSA-N -1 0 336.439 3.624 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)NC1CCC(c2ccccc2)CC1 ZINC000448157483 1030779856 /nfs/dbraw/zinc/77/98/56/1030779856.db2.gz RYNRRBQEUITHOA-UHFFFAOYSA-N -1 0 336.439 3.624 20 0 EHADRM Cc1ccc(-c2n[n-]c(=NCc3ccn(-c4ccccc4)n3)o2)c(C)c1 ZINC000550960520 1030834034 /nfs/dbraw/zinc/83/40/34/1030834034.db2.gz DOTOAXQWSQIXCZ-UHFFFAOYSA-N -1 0 345.406 3.573 20 0 EHADRM O=C([O-])c1cc(F)c(F)cc1C(=O)N[C@@H]1CCCc2sccc21 ZINC000321535329 1030841678 /nfs/dbraw/zinc/84/16/78/1030841678.db2.gz PTZMZUOVCWYQQL-CYBMUJFWSA-N -1 0 337.347 3.532 20 0 EHADRM Cc1nc(CCC(=O)[O-])oc1-c1ccc(-c2c(C)noc2C)cc1 ZINC000583823714 1030859294 /nfs/dbraw/zinc/85/92/94/1030859294.db2.gz FNBBTJAGTJWIEK-UHFFFAOYSA-N -1 0 326.352 3.939 20 0 EHADRM Cc1nc(S(=O)(=O)[N-]c2cccc(Cl)c2SC(C)C)c[nH]1 ZINC000157822032 1030885943 /nfs/dbraw/zinc/88/59/43/1030885943.db2.gz DPQAITPFYFLAHF-UHFFFAOYSA-N -1 0 345.877 3.673 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cccs3)c2)cn1 ZINC000349944249 1030926392 /nfs/dbraw/zinc/92/63/92/1030926392.db2.gz KOKHJXPZQZFCAF-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM O=S(=O)([N-]c1cccc(Cl)n1)c1ccccc1C(F)(F)F ZINC000162277591 1030991929 /nfs/dbraw/zinc/99/19/29/1030991929.db2.gz MXPSXEJSEZLNLL-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM Cc1ccc(Nc2ccccc2S(=O)(=O)C(C)C)cc1C(=O)[O-] ZINC001211601837 1031047443 /nfs/dbraw/zinc/04/74/43/1031047443.db2.gz NXEUYISXWMEPDV-UHFFFAOYSA-N -1 0 333.409 3.619 20 0 EHADRM CC(C)(C(=O)N=c1cc(C(F)(F)F)[n-][nH]1)c1ccc(Cl)cc1F ZINC000476923267 1031083779 /nfs/dbraw/zinc/08/37/79/1031083779.db2.gz UDZTXPMFKZGDLF-UHFFFAOYSA-N -1 0 349.715 3.559 20 0 EHADRM C[C@H]1CCC[C@@H](CC(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)C1 ZINC000080292143 1031131380 /nfs/dbraw/zinc/13/13/80/1031131380.db2.gz LOYSPTPCBYLDGF-VHSXEESVSA-N -1 0 346.430 3.518 20 0 EHADRM [O-]c1ccc(Cl)cc1-c1nc([C@@H]2COc3ccccc3O2)no1 ZINC000320990636 1031140313 /nfs/dbraw/zinc/14/03/13/1031140313.db2.gz MCSRBBDXHIUUBD-AWEZNQCLSA-N -1 0 330.727 3.608 20 0 EHADRM Cc1ccccc1CC(C)(C)[N-]S(=O)(=O)c1c(F)cccc1F ZINC000477007638 1031163165 /nfs/dbraw/zinc/16/31/65/1031163165.db2.gz ZZSTVXCRTZOSBX-UHFFFAOYSA-N -1 0 339.407 3.573 20 0 EHADRM Cc1nc(C(=O)Nc2ccccc2Cc2ccccc2)ccc1C(=O)[O-] ZINC000448545615 1031235418 /nfs/dbraw/zinc/23/54/18/1031235418.db2.gz HGYMNTNGGYNTSJ-UHFFFAOYSA-N -1 0 346.386 3.931 20 0 EHADRM COCc1n[n-]c(=NCc2ccccc2Oc2cccc(C)c2)s1 ZINC000477099303 1031251572 /nfs/dbraw/zinc/25/15/72/1031251572.db2.gz KBXTYODPQVPCOC-UHFFFAOYSA-N -1 0 341.436 3.819 20 0 EHADRM C[C@](CNc1ncc(C(F)(F)F)s1)(C(=O)[O-])c1ccccc1 ZINC000650777159 1031257393 /nfs/dbraw/zinc/25/73/93/1031257393.db2.gz WRSLEUKBXNSTRV-CYBMUJFWSA-N -1 0 330.331 3.616 20 0 EHADRM C[C@@H](c1ccccc1F)N(C)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000175267926 1031318893 /nfs/dbraw/zinc/31/88/93/1031318893.db2.gz BSAFUHCYUKRTCB-ZDUSSCGKSA-N -1 0 339.370 3.550 20 0 EHADRM Cc1cc(F)c(S(=O)(=O)[N-]c2cncc3ccccc32)cc1F ZINC000536184759 1031344323 /nfs/dbraw/zinc/34/43/23/1031344323.db2.gz CTVXJEXYXNMEDT-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2cccc([C@@H]3CCCOC3)c2)c1 ZINC000668277130 1031376708 /nfs/dbraw/zinc/37/67/08/1031376708.db2.gz AELFUFIGLIWISH-OAHLLOKOSA-N -1 0 343.354 3.670 20 0 EHADRM COc1cc(Nc2ccc(C)c(C(=O)[O-])c2)ccc1-n1cnc(C)c1 ZINC001211606741 1031404573 /nfs/dbraw/zinc/40/45/73/1031404573.db2.gz YFOMMYVLCUDJPY-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc(C(=O)[O-])s3)C2)cc1 ZINC000668300818 1031429391 /nfs/dbraw/zinc/42/93/91/1031429391.db2.gz XOTPQYLGVATZLY-TZMCWYRMSA-N -1 0 329.421 3.773 20 0 EHADRM Cc1ccc(-c2noc(=NCc3cc(-c4ccccc4)no3)[n-]2)cc1 ZINC000484089692 1031449912 /nfs/dbraw/zinc/44/99/12/1031449912.db2.gz STGJJMNZKKWNKU-UHFFFAOYSA-N -1 0 332.363 3.734 20 0 EHADRM Cc1coc(-c2cccc([N-]S(=O)(=O)c3sc(C)nc3C)c2)n1 ZINC000177017759 1031476756 /nfs/dbraw/zinc/47/67/56/1031476756.db2.gz UTWBQKJWXUUZSC-UHFFFAOYSA-N -1 0 349.437 3.524 20 0 EHADRM COCC[C@@H](N=c1nc(-c2ccccc2C)[n-]s1)c1ccco1 ZINC000527955843 1031489880 /nfs/dbraw/zinc/48/98/80/1031489880.db2.gz SQBMAQWZEVKGOA-CQSZACIVSA-N -1 0 329.425 3.718 20 0 EHADRM C[C@@H](C1CC1)N(C(=O)c1cc(Br)c(F)cc1[O-])C1CC1 ZINC000448686675 1031494106 /nfs/dbraw/zinc/49/41/06/1031494106.db2.gz LAKOMBPDMRBAEJ-QMMMGPOBSA-N -1 0 342.208 3.697 20 0 EHADRM Cc1ccc(O)c(C(=O)Nc2ccc(OCC(F)(F)F)cc2)c1 ZINC000477368575 1031499223 /nfs/dbraw/zinc/49/92/23/1031499223.db2.gz NPCUKWKMWBCOKC-UHFFFAOYSA-N -1 0 325.286 3.894 20 0 EHADRM O=C(Nc1ccc(F)c(Cl)c1)c1nc[n-]c1C(=O)c1ccccc1 ZINC000484246412 1031500602 /nfs/dbraw/zinc/50/06/02/1031500602.db2.gz RVNUGRRWRXVACE-UHFFFAOYSA-N -1 0 343.745 3.686 20 0 EHADRM CCCCc1nnc([N-]S(=O)(=O)c2ccc([C@@H](C)CC)cc2)o1 ZINC000194802596 1031530263 /nfs/dbraw/zinc/53/02/63/1031530263.db2.gz IRWVSWRPJSTWMG-LBPRGKRZSA-N -1 0 337.445 3.727 20 0 EHADRM O=S(=O)([N-]c1cc(F)cc(Cl)c1)c1cc(F)c(F)cc1F ZINC000477410224 1031531879 /nfs/dbraw/zinc/53/18/79/1031531879.db2.gz COUBVDFYHCWYGT-UHFFFAOYSA-N -1 0 339.697 3.697 20 0 EHADRM O=C([N-]OCc1ccc(F)cc1)[C@H](c1ccncc1)C1CCCC1 ZINC000897382902 1031572852 /nfs/dbraw/zinc/57/28/52/1031572852.db2.gz OXZGHTQMWZFEDH-SFHVURJKSA-N -1 0 328.387 3.743 20 0 EHADRM COc1ccc(CCC(=O)[O-])cc1NCc1ccc(C(F)F)nc1 ZINC000904014505 1031601426 /nfs/dbraw/zinc/60/14/26/1031601426.db2.gz SWAZMXKSOFAJIP-UHFFFAOYSA-N -1 0 336.338 3.657 20 0 EHADRM C[C@H](Cc1ccc(NCc2c(Cl)nc(Cl)n2C)cc1)C(=O)[O-] ZINC000904015449 1031604279 /nfs/dbraw/zinc/60/42/79/1031604279.db2.gz OIDMPIVOBNQVIM-SECBINFHSA-N -1 0 342.226 3.602 20 0 EHADRM C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(NC2(c3ccccn3)CC2)cc1 ZINC001168153842 1031617236 /nfs/dbraw/zinc/61/72/36/1031617236.db2.gz BPXHDXIFYKOFOL-LBPRGKRZSA-N -1 0 349.356 3.922 20 0 EHADRM CCn1c(CN[C@H](CC(=O)[O-])c2ccccc2F)nc2ccccc21 ZINC000904044492 1031661961 /nfs/dbraw/zinc/66/19/61/1031661961.db2.gz BCPPFPCPRAQETP-MRXNPFEDSA-N -1 0 341.386 3.501 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])[NH2+]Cc2nc3c(s2)CCCC3)c1 ZINC000904045141 1031665373 /nfs/dbraw/zinc/66/53/73/1031665373.db2.gz HOWIIHDAFXJEDA-HNNXBMFYSA-N -1 0 330.453 3.636 20 0 EHADRM CC(C)(C)c1cnc(CN[C@@H](CC(=O)[O-])c2ccccc2F)s1 ZINC000904045983 1031667520 /nfs/dbraw/zinc/66/75/20/1031667520.db2.gz TVAURXOANOAAPU-ZDUSSCGKSA-N -1 0 336.432 3.885 20 0 EHADRM Cc1ccncc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C ZINC000085235459 1031719170 /nfs/dbraw/zinc/71/91/70/1031719170.db2.gz DKCPFCBWASFKBG-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM CCCc1nc(=NC(=O)c2ccc(C)c(Cl)c2Cl)s[n-]1 ZINC000448875505 1031809195 /nfs/dbraw/zinc/80/91/95/1031809195.db2.gz SHUVPMUIIUATQL-UHFFFAOYSA-N -1 0 330.240 3.780 20 0 EHADRM Cc1coc(-c2cccc(N[C@@H]3C[C@@H](NC(=O)[O-])C34CCC4)c2)n1 ZINC000904199566 1031844519 /nfs/dbraw/zinc/84/45/19/1031844519.db2.gz LTVKSFADEUBQKF-HUUCEWRRSA-N -1 0 327.384 3.641 20 0 EHADRM Cc1ccc(N[C@@H]2C[C@@H](NC(=O)[O-])C23CCC3)cc1OCC(F)F ZINC000904199143 1031845094 /nfs/dbraw/zinc/84/50/94/1031845094.db2.gz GXAPWAOXQLSFCB-ZIAGYGMSSA-N -1 0 340.370 3.630 20 0 EHADRM O=C([O-])N[C@@H]1C[C@H](Nc2ccccc2CC(F)(F)F)C12CCC2 ZINC000904198599 1031845752 /nfs/dbraw/zinc/84/57/52/1031845752.db2.gz BTPWBOOKIBNBPE-QWHCGFSZSA-N -1 0 328.334 3.782 20 0 EHADRM CC(C)Cn1ncc(N[C@@H]2C[C@@H](NC(=O)[O-])C23CCC3)c1C(C)C ZINC000904229017 1031868441 /nfs/dbraw/zinc/86/84/41/1031868441.db2.gz ZYNKWQMHXFFJIH-HUUCEWRRSA-N -1 0 334.464 3.653 20 0 EHADRM CCN(C(=O)c1nn(-c2ccc(F)cc2)cc1[O-])c1ccc(F)cc1 ZINC000180624388 1031891324 /nfs/dbraw/zinc/89/13/24/1031891324.db2.gz RQFBZUZRASWMSC-UHFFFAOYSA-N -1 0 343.333 3.523 20 0 EHADRM CC(C)c1nc(=NC[C@@H](Cc2ccccc2)C(F)(F)F)s[n-]1 ZINC000584204969 1031937546 /nfs/dbraw/zinc/93/75/46/1031937546.db2.gz LTHUDOUNSFOPKU-GFCCVEGCSA-N -1 0 329.391 3.917 20 0 EHADRM Cc1ccc(NC(=O)c2cnn(C(C)C)c2C2CC2)cc1C(=O)[O-] ZINC000431544908 1031978007 /nfs/dbraw/zinc/97/80/07/1031978007.db2.gz RHACVVXKYQYENV-UHFFFAOYSA-N -1 0 327.384 3.600 20 0 EHADRM CCCc1nc(=NC(=O)N[C@H]2CC[C@H](c3cccc(F)c3)C2)s[n-]1 ZINC000584260804 1032022578 /nfs/dbraw/zinc/02/25/78/1032022578.db2.gz VYJAHYKJQZMMQK-JSGCOSHPSA-N -1 0 348.447 3.509 20 0 EHADRM COc1cccc(Cl)c1C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC000449004930 1032044021 /nfs/dbraw/zinc/04/40/21/1032044021.db2.gz SJJHKUIBGBLSQI-ZDUSSCGKSA-N -1 0 339.819 3.502 20 0 EHADRM N=c1[n-]nc(SCCOc2ccc(Oc3ccccc3)cc2)s1 ZINC000607757160 1033302120 /nfs/dbraw/zinc/30/21/20/1033302120.db2.gz YGRWSPZMQKJBDT-UHFFFAOYSA-N -1 0 345.449 3.914 20 0 EHADRM CCN(C(=O)c1cc(Br)c(F)cc1[O-])[C@H](C)C(C)C ZINC000574647862 1033313142 /nfs/dbraw/zinc/31/31/42/1033313142.db2.gz BOXFKMQUAZZMSZ-SECBINFHSA-N -1 0 332.213 3.800 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000574651066 1033316962 /nfs/dbraw/zinc/31/69/62/1033316962.db2.gz HDMOOZYJSJTNPC-LLVKDONJSA-N -1 0 343.345 3.697 20 0 EHADRM O=C(N=c1nc(-c2ccsc2)[n-]s1)c1cnc2ccsc2c1 ZINC000607826451 1033317635 /nfs/dbraw/zinc/31/76/35/1033317635.db2.gz VKEMJHZISOXUOZ-UHFFFAOYSA-N -1 0 344.446 3.551 20 0 EHADRM O=C([O-])CCCCCCNC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 ZINC000263181353 1033321156 /nfs/dbraw/zinc/32/11/56/1033321156.db2.gz RMBRFVLIASNTIH-CQSZACIVSA-N -1 0 349.324 3.867 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CC[C@H](c2ccccc2)C[C@@H]1C ZINC000455868562 1033341624 /nfs/dbraw/zinc/34/16/24/1033341624.db2.gz VVPFVGUYNOHEQI-HOCLYGCPSA-N -1 0 341.407 3.623 20 0 EHADRM CC[C@@H](C)CN(CC)C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000611936504 1033441567 /nfs/dbraw/zinc/44/15/67/1033441567.db2.gz ZAQWVIURVSDYOS-GFCCVEGCSA-N -1 0 335.835 3.740 20 0 EHADRM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000105589425 1033485302 /nfs/dbraw/zinc/48/53/02/1033485302.db2.gz ZOLMFJFQBQQKOD-UHFFFAOYSA-N -1 0 329.343 3.776 20 0 EHADRM C(CC1CCCCC1)Sc1n[n-]c(=NC[C@H]2CCCO2)s1 ZINC000608101705 1033493954 /nfs/dbraw/zinc/49/39/54/1033493954.db2.gz GPBXKPBVJLEXFO-CYBMUJFWSA-N -1 0 327.519 3.613 20 0 EHADRM Clc1ccc(-c2nc(CN=c3[n-]c(C4CC4)no3)cs2)cc1 ZINC000537499981 1033501556 /nfs/dbraw/zinc/50/15/56/1033501556.db2.gz KTIAUZSCEZKERM-UHFFFAOYSA-N -1 0 332.816 3.758 20 0 EHADRM Cc1noc(=NCc2cn(-c3ccccc3Cl)nc2C(C)(C)C)[n-]1 ZINC000537506415 1033510528 /nfs/dbraw/zinc/51/05/28/1033510528.db2.gz QJKLXOHLRFASPQ-UHFFFAOYSA-N -1 0 345.834 3.549 20 0 EHADRM CCCCCc1n[n-]c(=NCc2cn(C)nc2-c2ccccc2)s1 ZINC000537505477 1033511869 /nfs/dbraw/zinc/51/18/69/1033511869.db2.gz SHMXDNYYYLPVSR-UHFFFAOYSA-N -1 0 341.484 3.705 20 0 EHADRM COc1ccc(-c2ccc([S@](=O)CCCC(=O)[O-])cc2)c(C)c1 ZINC000594872135 1033527357 /nfs/dbraw/zinc/52/73/57/1033527357.db2.gz WUSFEIOGTMNOAN-HSZRJFAPSA-N -1 0 332.421 3.643 20 0 EHADRM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ncc(C(C)C)s1 ZINC000608258370 1033553783 /nfs/dbraw/zinc/55/37/83/1033553783.db2.gz PQAZHNVMEKIIBP-UHFFFAOYSA-N -1 0 346.861 3.729 20 0 EHADRM COc1c(C)ccc(NC(=O)c2ccc3[n-]c(=S)oc3c2)c1C ZINC000173904896 1033613465 /nfs/dbraw/zinc/61/34/65/1033613465.db2.gz SHIFJNSIRHPIQQ-UHFFFAOYSA-N -1 0 328.393 3.994 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c1 ZINC000537547914 1033636162 /nfs/dbraw/zinc/63/61/62/1033636162.db2.gz YRXMJEBLPUABLB-LBPRGKRZSA-N -1 0 347.798 3.963 20 0 EHADRM C[C@@H]1C[C@H]1[C@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000608340535 1033645343 /nfs/dbraw/zinc/64/53/43/1033645343.db2.gz NLABMLSVZZJCLP-ZQOQDGPXSA-N -1 0 347.842 3.820 20 0 EHADRM CCC[C@](C)(CC)C(=O)NCc1ccc(O)c(Br)c1 ZINC000476376075 1033696930 /nfs/dbraw/zinc/69/69/30/1033696930.db2.gz HUCZPWALCUTRBR-HNNXBMFYSA-N -1 0 328.250 3.987 20 0 EHADRM CC[C@H](C)c1n[n-]c(=Nc2c(C)n[nH]c2C)n1CCc1ccccc1 ZINC000460418542 1033749509 /nfs/dbraw/zinc/74/95/09/1033749509.db2.gz GETVZBZPUOULMP-ZDUSSCGKSA-N -1 0 338.459 3.540 20 0 EHADRM COc1ccccc1-c1cc(=NC(=O)c2coc3ccccc23)[nH][nH]1 ZINC000603547017 1033756208 /nfs/dbraw/zinc/75/62/08/1033756208.db2.gz HBHFTJSNKLAFIC-UHFFFAOYSA-N -1 0 333.347 3.506 20 0 EHADRM Cc1cccc(NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])c1C ZINC000550646865 1033815535 /nfs/dbraw/zinc/81/55/35/1033815535.db2.gz DIQUDKNJABVONN-UHFFFAOYSA-N -1 0 325.343 3.586 20 0 EHADRM Cc1cc(C)c2cc(C(=O)N=c3[n-]nc(C(C)C)s3)sc2n1 ZINC000603646425 1033821409 /nfs/dbraw/zinc/82/14/09/1033821409.db2.gz FGRMPGLLDUOCSC-UHFFFAOYSA-N -1 0 332.454 3.562 20 0 EHADRM CCC[C@](C)(NC(=O)Nc1cccc(CC(F)(F)F)c1)C(=O)[O-] ZINC000575084142 1033871479 /nfs/dbraw/zinc/87/14/79/1033871479.db2.gz SYEOGPURDCHGOJ-AWEZNQCLSA-N -1 0 332.322 3.556 20 0 EHADRM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1ccc(C2CCCC2)cc1 ZINC000685696864 1033885124 /nfs/dbraw/zinc/88/51/24/1033885124.db2.gz HEXPBZJTBJRVPH-UHFFFAOYSA-N -1 0 349.390 3.940 20 0 EHADRM COc1cc(C)cc(C)c1S(=O)(=O)Nc1cc(F)ccc1Cl ZINC000575199326 1033886941 /nfs/dbraw/zinc/88/69/41/1033886941.db2.gz FAYFVJLEURTIDZ-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc(Cl)cc1 ZINC000046928667 1033895824 /nfs/dbraw/zinc/89/58/24/1033895824.db2.gz UNOQQCAIEYUWBH-UHFFFAOYSA-N -1 0 336.221 3.748 20 0 EHADRM O=S(=O)([N-]c1nnc(CC2CCCCC2)s1)c1cccs1 ZINC000083956455 1033900813 /nfs/dbraw/zinc/90/08/13/1033900813.db2.gz JEINXQOOGHASDA-UHFFFAOYSA-N -1 0 343.499 3.523 20 0 EHADRM Cc1cccc2sc([N-]S(=O)(=O)c3c(F)cccc3F)nc21 ZINC000612012333 1033912143 /nfs/dbraw/zinc/91/21/43/1033912143.db2.gz QKDVSLLLVIPLRD-UHFFFAOYSA-N -1 0 340.376 3.684 20 0 EHADRM C[C@H](c1ccccc1)N(C)C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000084382499 1033912574 /nfs/dbraw/zinc/91/25/74/1033912574.db2.gz BQWVQSQSYWXTMM-CYBMUJFWSA-N -1 0 339.370 3.550 20 0 EHADRM C[C@@H](Oc1[n-]ncc(=O)c1Cl)c1cc(Br)ccc1F ZINC001228387380 1034002881 /nfs/dbraw/zinc/00/28/81/1034002881.db2.gz PFPZKOVYLISVNI-ZCFIWIBFSA-N -1 0 347.571 3.877 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccccc2)c(OCC(F)(F)F)c1 ZINC000057123925 1034095293 /nfs/dbraw/zinc/09/52/93/1034095293.db2.gz YRKYGUUYAZRVRC-UHFFFAOYSA-N -1 0 345.342 3.737 20 0 EHADRM COc1cc(Cl)ccc1C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000320820880 1034161558 /nfs/dbraw/zinc/16/15/58/1034161558.db2.gz MLQTUBJPOUJCQR-WTKPLQERSA-N -1 0 331.755 3.699 20 0 EHADRM Cc1ccccc1C[C@H]1CCCN1C(=O)c1c([O-])cc(F)cc1F ZINC000604088215 1034199252 /nfs/dbraw/zinc/19/92/52/1034199252.db2.gz VCVNUGJMEYBQSX-OAHLLOKOSA-N -1 0 331.362 3.826 20 0 EHADRM Cc1cc(=NC(=O)c2ccccc2N(C)c2ccccc2)[n-]nc1C ZINC000604233757 1034287768 /nfs/dbraw/zinc/28/77/68/1034287768.db2.gz OSSDORCNSHKXKX-UHFFFAOYSA-N -1 0 332.407 3.536 20 0 EHADRM CCc1ccc(Cl)c(CC)c1[N-]S(=O)(=O)c1c(C)noc1C ZINC000007379040 1034315290 /nfs/dbraw/zinc/31/52/90/1034315290.db2.gz WLMKKDXAUIPFGQ-UHFFFAOYSA-N -1 0 342.848 3.870 20 0 EHADRM O=C(NC[C@@H]1CC12CCSCC2)c1cc(O)c2ccccc2c1 ZINC000421922027 1034341489 /nfs/dbraw/zinc/34/14/89/1034341489.db2.gz SZSILUJRURZGHF-HNNXBMFYSA-N -1 0 327.449 3.809 20 0 EHADRM COc1ccnc2c([N-]S(=O)(=O)c3ccc(Cl)cc3)cccc12 ZINC000534317193 1034387833 /nfs/dbraw/zinc/38/78/33/1034387833.db2.gz BQWXWXWFRDZOQY-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM COc1ccnc2c([N-]S(=O)(=O)c3cc(C)sc3C)cccc12 ZINC000534318966 1034390924 /nfs/dbraw/zinc/39/09/24/1034390924.db2.gz WPWHUSFHASINSL-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000604709163 1034463100 /nfs/dbraw/zinc/46/31/00/1034463100.db2.gz VNKOBJHXDRPQFZ-UHFFFAOYSA-N -1 0 349.365 3.960 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)C1CCC(C(=O)[O-])CC1 ZINC000450532384 1034465429 /nfs/dbraw/zinc/46/54/29/1034465429.db2.gz OSTGMJHURVXYIT-IWCVFHTOSA-N -1 0 329.440 3.672 20 0 EHADRM COc1cccc([C@@H]2CN(C(=O)c3c([O-])cccc3F)CC2(C)C)c1 ZINC000529730368 1034498117 /nfs/dbraw/zinc/49/81/17/1034498117.db2.gz WUGRTRQHZHBHBW-HNNXBMFYSA-N -1 0 343.398 3.806 20 0 EHADRM CC1(C)CN(C(=O)Cc2ccccc2C(=O)[O-])C[C@H]1c1ccccc1 ZINC000450536970 1034510807 /nfs/dbraw/zinc/51/08/07/1034510807.db2.gz BKYOBZZYUWEDTH-SFHVURJKSA-N -1 0 337.419 3.580 20 0 EHADRM C[C@H](N=c1[n-]nc(Cc2ccc(Cl)cc2)s1)c1ccncc1F ZINC000509449953 1034519694 /nfs/dbraw/zinc/51/96/94/1034519694.db2.gz DRQNWPXQDUWGQT-JTQLQIEISA-N -1 0 348.834 3.911 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N=c3[n-]nc(CC(C)C)s3)cc2c1C ZINC000604862137 1034532804 /nfs/dbraw/zinc/53/28/04/1034532804.db2.gz SBAHFCHPJLPLRH-UHFFFAOYSA-N -1 0 328.441 3.509 20 0 EHADRM CC[C@H]1CCCN(C(=O)N=c2[n-]nc(Cc3ccccc3)s2)CC1 ZINC000605027370 1034600631 /nfs/dbraw/zinc/60/06/31/1034600631.db2.gz NDFPTOHXJXMBTC-AWEZNQCLSA-N -1 0 344.484 3.595 20 0 EHADRM CC(C)c1n[n-]c(=N[C@@H](CCO)c2cccc(C(F)(F)F)c2)s1 ZINC000450660549 1034655228 /nfs/dbraw/zinc/65/52/28/1034655228.db2.gz BHWCIYAOPYKZSE-LBPRGKRZSA-N -1 0 345.390 3.638 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2n[nH]c(C)c2-c2ccccc2)cc1 ZINC000534681222 1034792117 /nfs/dbraw/zinc/79/21/17/1034792117.db2.gz OOXMWAQCKGAWIO-UHFFFAOYSA-N -1 0 341.436 3.748 20 0 EHADRM CC(C)[C@H](NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])c1ccccc1Cl ZINC000601980598 1034845644 /nfs/dbraw/zinc/84/56/44/1034845644.db2.gz AKSQXNHNLVKNQS-MJVIPROJSA-N -1 0 343.876 3.748 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000606149657 1034876410 /nfs/dbraw/zinc/87/64/10/1034876410.db2.gz QAMKBCVAIARMBZ-OAHLLOKOSA-N -1 0 327.380 3.671 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)Nc1ccccc1Cl ZINC000390895717 1034895682 /nfs/dbraw/zinc/89/56/82/1034895682.db2.gz CZTUGOBDSAFMRC-HNNXBMFYSA-N -1 0 330.771 3.556 20 0 EHADRM CCc1cc(CC)c(S(=O)(=O)[N-]c2c(C)nn(C)c2C)c(CC)c1 ZINC000450975724 1034977210 /nfs/dbraw/zinc/97/72/10/1034977210.db2.gz XXGJGAATOSKOSZ-UHFFFAOYSA-N -1 0 349.500 3.525 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)Cc2ccc(C(F)F)cc2)no1 ZINC000450967829 1034993287 /nfs/dbraw/zinc/99/32/87/1034993287.db2.gz IVQJTINFQZKQRC-UHFFFAOYSA-N -1 0 344.383 3.852 20 0 EHADRM CCSCc1ccnc([N-]S(=O)(=O)c2sccc2Cl)c1 ZINC000450982356 1035010737 /nfs/dbraw/zinc/01/07/37/1035010737.db2.gz BXIHFFCQOVVQFW-UHFFFAOYSA-N -1 0 348.902 3.850 20 0 EHADRM C[C@@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000450985416 1035012367 /nfs/dbraw/zinc/01/23/67/1035012367.db2.gz DDFFONSHBXZNEQ-JTQLQIEISA-N -1 0 349.387 3.540 20 0 EHADRM CCc1nc(C)c([N-]S(=O)(=O)Cc2c(F)cccc2Cl)s1 ZINC000451017891 1035014448 /nfs/dbraw/zinc/01/44/48/1035014448.db2.gz QQGDMYIVNQBJOU-UHFFFAOYSA-N -1 0 348.852 3.748 20 0 EHADRM CC(C)c1nc(CN2CCc3c(F)ccc(C(=O)[O-])c3C2)cs1 ZINC000530169604 1035017291 /nfs/dbraw/zinc/01/72/91/1035017291.db2.gz SOTGGRYOUHSAAY-UHFFFAOYSA-N -1 0 334.416 3.662 20 0 EHADRM C[C@H](c1ccc(Oc2ccccc2)cc1)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000530169570 1035018447 /nfs/dbraw/zinc/01/84/47/1035018447.db2.gz LERYMBBOUKRIOM-CLCXKQKWSA-N -1 0 341.407 3.714 20 0 EHADRM CS[C@@H](C)CC(=O)Nc1c(O)cc(Br)cc1Cl ZINC000584491236 1035094494 /nfs/dbraw/zinc/09/44/94/1035094494.db2.gz CHUGKMJSFGXTAR-LURJTMIESA-N -1 0 338.654 3.888 20 0 EHADRM CCOc1ncc(C(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)cc1Cl ZINC000431677129 1035194366 /nfs/dbraw/zinc/19/43/66/1035194366.db2.gz BUUKGFZRYUXCHG-UHFFFAOYSA-N -1 0 348.786 3.701 20 0 EHADRM FC(F)(F)c1nc(=N[C@@H](c2ccccc2)c2ccccn2)s[n-]1 ZINC000376103594 1035269754 /nfs/dbraw/zinc/26/97/54/1035269754.db2.gz NVMCEWQEUGBTDC-LBPRGKRZSA-N -1 0 336.342 3.575 20 0 EHADRM CCCCS(=O)(=O)[N-]C(=O)[C@H](Sc1ccccc1)C(C)C ZINC000066229930 1035301987 /nfs/dbraw/zinc/30/19/87/1035301987.db2.gz QODCYENFUKNMEZ-CQSZACIVSA-N -1 0 329.487 3.890 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1onc2c1CCCC2 ZINC000613158352 1035429281 /nfs/dbraw/zinc/42/92/81/1035429281.db2.gz GWVZYUBIVGOIOM-UHFFFAOYSA-N -1 0 327.167 3.818 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1C(C)C ZINC000431776728 1035473212 /nfs/dbraw/zinc/47/32/12/1035473212.db2.gz SSQOZWVZSPLHKY-CQSZACIVSA-N -1 0 348.443 3.509 20 0 EHADRM O=C([O-])C1(CC(=O)NCc2c(F)cc(F)cc2F)CCCCCC1 ZINC000414096467 1035485560 /nfs/dbraw/zinc/48/55/60/1035485560.db2.gz QSSDZZAEOLIHCT-UHFFFAOYSA-N -1 0 343.345 3.535 20 0 EHADRM COc1cccc(C(=O)Nc2cc(C(C)=O)ccc2[O-])c1OC(C)C ZINC000613285664 1035495051 /nfs/dbraw/zinc/49/50/51/1035495051.db2.gz WQYCFOVUBBQOHP-UHFFFAOYSA-N -1 0 343.379 3.643 20 0 EHADRM O=C(c1cc(Br)ccc1O)N1CC2(CC2)c2ccccc21 ZINC000172431932 1035502755 /nfs/dbraw/zinc/50/27/55/1035502755.db2.gz ATPDOVXOGVHXIS-UHFFFAOYSA-N -1 0 344.208 3.847 20 0 EHADRM Cc1ccc(Br)cc1C[S@@](=O)[C@H](CC(C)C)C(=O)[O-] ZINC000571498868 1035510775 /nfs/dbraw/zinc/51/07/75/1035510775.db2.gz ZLZWHNICFUSFFQ-BFUOFWGJSA-N -1 0 347.274 3.506 20 0 EHADRM Cc1c2ccccc2nc(N2CCC3(CCOCC3)[C@@H]2C)c1C(=O)[O-] ZINC000571565318 1035557831 /nfs/dbraw/zinc/55/78/31/1035557831.db2.gz GYCQRQIVJGYRPE-AWEZNQCLSA-N -1 0 340.423 3.637 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)CCc1cc2ccccc2o1 ZINC000540714417 1035619183 /nfs/dbraw/zinc/61/91/83/1035619183.db2.gz LYGVOWVQIGIZCP-IAGOWNOFSA-N -1 0 343.423 3.905 20 0 EHADRM CCC(CC)(CC(=O)Nc1cc(NC(=O)C(C)C)ccc1C)C(=O)[O-] ZINC000414129084 1035659971 /nfs/dbraw/zinc/65/99/71/1035659971.db2.gz UPURVTDCOVWCTE-UHFFFAOYSA-N -1 0 348.443 3.809 20 0 EHADRM CCc1n[n-]c(=NC(=O)c2cc(C)c(-c3ccc(F)cc3)s2)s1 ZINC000588015008 1035683439 /nfs/dbraw/zinc/68/34/39/1035683439.db2.gz AXSCQSLNGLFZOW-UHFFFAOYSA-N -1 0 347.440 3.951 20 0 EHADRM Cc1ccc(OC(F)F)c(CN=c2[n-]nc(CC3CCCC3)o2)c1 ZINC000540793261 1035687170 /nfs/dbraw/zinc/68/71/70/1035687170.db2.gz LVDCPEAOILOIEF-UHFFFAOYSA-N -1 0 337.370 3.746 20 0 EHADRM CCCCc1n[n-]c(=NCc2ccc(OC)cc2OC(F)F)s1 ZINC000540807402 1035697997 /nfs/dbraw/zinc/69/79/97/1035697997.db2.gz NYQHHMMLGRUBFV-UHFFFAOYSA-N -1 0 343.399 3.525 20 0 EHADRM COc1ccc(CN=c2[n-]c(-c3ccccc3)no2)c(C(F)(F)F)c1 ZINC000588163878 1035734646 /nfs/dbraw/zinc/73/46/46/1035734646.db2.gz NRAORMLGPSWIFV-UHFFFAOYSA-N -1 0 349.312 3.798 20 0 EHADRM COCc1cc(-c2ccc3[nH]c(C)c(CC(=O)[O-])c3c2)ccc1OC ZINC000571895587 1035779640 /nfs/dbraw/zinc/77/96/40/1035779640.db2.gz TZXMJAQRDAQZFH-UHFFFAOYSA-N -1 0 339.391 3.925 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N2CCC3(CCCCC3)CC2)s1 ZINC000588239156 1035835350 /nfs/dbraw/zinc/83/53/50/1035835350.db2.gz ATGBZWRDEHBJFH-UHFFFAOYSA-N -1 0 336.505 3.737 20 0 EHADRM CC[C@@H]1CCCC[C@H]1NC(=O)c1cnc2cc(F)c(F)cc2c1O ZINC000892546097 1035879698 /nfs/dbraw/zinc/87/96/98/1035879698.db2.gz BBGZKIRFVRXAJB-MEBBXXQBSA-N -1 0 334.366 3.505 20 0 EHADRM Cc1ccc(-c2ccc(C)c(NC(=O)N(C)C[C@@H](C)C(=O)[O-])c2)o1 ZINC000263103066 1035901244 /nfs/dbraw/zinc/90/12/44/1035901244.db2.gz UWZVISSPEIMVJD-GFCCVEGCSA-N -1 0 330.384 3.748 20 0 EHADRM Cc1nc([C@H]2CCCO2)sc1C(=O)Nc1ccc(F)c(F)c1[O-] ZINC000457313905 1035941627 /nfs/dbraw/zinc/94/16/27/1035941627.db2.gz MJJZBMFYEQXQNX-SNVBAGLBSA-N -1 0 340.351 3.539 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(c2nccc3cc(Br)ccc32)C1 ZINC000263112191 1036095306 /nfs/dbraw/zinc/09/53/06/1036095306.db2.gz DONYEFVIKWOUQO-CMPLNLGQSA-N -1 0 349.228 3.544 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1OCC(F)F ZINC000102632277 1036106338 /nfs/dbraw/zinc/10/63/38/1036106338.db2.gz SFXREWCLKJZJGF-UHFFFAOYSA-N -1 0 333.381 3.501 20 0 EHADRM COc1cc(C)c(S(=O)(=O)Nc2cccc3c2ccn3C)c(C)c1 ZINC000588833849 1036132577 /nfs/dbraw/zinc/13/25/77/1036132577.db2.gz UBYHKLSJKHWXDQ-UHFFFAOYSA-N -1 0 344.436 3.605 20 0 EHADRM CCC[C@H](C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1ccccc1 ZINC000170748351 1036194015 /nfs/dbraw/zinc/19/40/15/1036194015.db2.gz UTUJYMILROYWRT-INIZCTEOSA-N -1 0 337.379 3.552 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2cccc(C(F)F)c2Cl)C1 ZINC000263129604 1036263839 /nfs/dbraw/zinc/26/38/39/1036263839.db2.gz MXVGDJXSRTVJSH-DTWKUNHWSA-N -1 0 346.761 3.852 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2cccc(SC(F)F)c2)C1 ZINC000263130475 1036277850 /nfs/dbraw/zinc/27/78/50/1036277850.db2.gz NCDRUFKQPUVOAY-NXEZZACHSA-N -1 0 344.383 3.576 20 0 EHADRM CC(C)(C)c1ccc(-c2ccc(S(C)(=O)=O)cc2C(=O)[O-])cc1 ZINC000518218899 1036280503 /nfs/dbraw/zinc/28/05/03/1036280503.db2.gz UDIHVKOZSURXLK-UHFFFAOYSA-N -1 0 332.421 3.753 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cc(C)nn2-c2ccccc2)s1 ZINC000589263390 1036326866 /nfs/dbraw/zinc/32/68/66/1036326866.db2.gz RZDCUHLZPADRGD-UHFFFAOYSA-N -1 0 347.465 3.605 20 0 EHADRM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccnn2C(C)C)cc1 ZINC000589263455 1036326927 /nfs/dbraw/zinc/32/69/27/1036326927.db2.gz NGUZHXFUHRURKP-UHFFFAOYSA-N -1 0 335.473 3.853 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000263143845 1036362718 /nfs/dbraw/zinc/36/27/18/1036362718.db2.gz ZYOWEQNDWLFCLA-UHFFFAOYSA-N -1 0 346.349 3.946 20 0 EHADRM C[C@@]1(C(=O)Nc2cc(Br)cc(Cl)c2[O-])CCCCO1 ZINC000457690680 1036399958 /nfs/dbraw/zinc/39/99/58/1036399958.db2.gz PIMQMSOBASVJRX-ZDUSSCGKSA-N -1 0 348.624 3.706 20 0 EHADRM CCn1cc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2C(C)C)cn1 ZINC000589431294 1036427872 /nfs/dbraw/zinc/42/78/72/1036427872.db2.gz QCTGTTINDPSSKY-UHFFFAOYSA-N -1 0 335.473 3.951 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)N2CCCC[C@H]2C(=O)[O-])cc1 ZINC000572631159 1036456313 /nfs/dbraw/zinc/45/63/13/1036456313.db2.gz RXRSBMRGQAJZFP-INIZCTEOSA-N -1 0 334.416 3.583 20 0 EHADRM COc1ccc(CCCC(=O)Nc2ccc(C)cc2C(=O)[O-])cc1 ZINC000541590398 1036490833 /nfs/dbraw/zinc/49/08/33/1036490833.db2.gz FXJYEHNUQNRAEF-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM [O-]C(CC1=CCCCC1)=Nc1nc(Cc2ccc(F)cc2F)ns1 ZINC000541647430 1036528781 /nfs/dbraw/zinc/52/87/81/1036528781.db2.gz PCMXJFXOZAWUAH-UHFFFAOYSA-N -1 0 349.406 3.658 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)NCc2ccc(Cl)c(Cl)c2)C1 ZINC000659198780 1036630040 /nfs/dbraw/zinc/63/00/40/1036630040.db2.gz NKGRDOKVTLIKFX-QWRGUYRKSA-N -1 0 330.211 3.501 20 0 EHADRM O=C([O-])c1cc(/C=C\c2ccc(-c3c(F)cccc3F)o2)ncn1 ZINC000535592615 1036696718 /nfs/dbraw/zinc/69/67/18/1036696718.db2.gz QTJSWQWNFTVYBY-PLNGDYQASA-N -1 0 328.274 3.883 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)c2cc3cc(Cl)ccc3[nH]2)s[n-]1 ZINC000589988592 1036704812 /nfs/dbraw/zinc/70/48/12/1036704812.db2.gz RAXKSTINKSFKHX-UHFFFAOYSA-N -1 0 334.832 3.645 20 0 EHADRM Cc1ncc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)s1 ZINC000350974313 1036738833 /nfs/dbraw/zinc/73/88/33/1036738833.db2.gz YZKCKQSMWANDKJ-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM C[C@@H]1CCC[C@@H](CC(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)C1 ZINC000263255035 1036739578 /nfs/dbraw/zinc/73/95/78/1036739578.db2.gz VSXBUPLYTGTZGT-LMSBXDPUSA-N -1 0 329.440 3.530 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000032588152 1036740377 /nfs/dbraw/zinc/74/03/77/1036740377.db2.gz RDACOGXMVAQGDN-UHFFFAOYSA-N -1 0 335.425 3.593 20 0 EHADRM Cc1cc(C(F)(F)F)ccc1/C=C\C(=O)NOCC(F)(F)F ZINC000493134176 1036741376 /nfs/dbraw/zinc/74/13/76/1036741376.db2.gz URBDZBJSACCTBD-HYXAFXHYSA-N -1 0 327.224 3.637 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cccc(Nc2ccccc2)c1 ZINC000263269948 1036741449 /nfs/dbraw/zinc/74/14/49/1036741449.db2.gz VVPWAWYMRHXFHX-ZBFHGGJFSA-N -1 0 338.407 3.756 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CNCc2ncc(Br)cc2[O-])o1 ZINC000892623674 1036769043 /nfs/dbraw/zinc/76/90/43/1036769043.db2.gz ZCOXNPAHFVBRJL-CABZTGNLSA-N -1 0 337.217 3.556 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCC[C@H]2Cc2cccc(F)c2)c1 ZINC000263332706 1036794066 /nfs/dbraw/zinc/79/40/66/1036794066.db2.gz QFDLKUKQXHJKDT-SFHVURJKSA-N -1 0 341.382 3.680 20 0 EHADRM Cc1c(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)oc2c1C(=O)CCC2 ZINC000263353704 1036801367 /nfs/dbraw/zinc/80/13/67/1036801367.db2.gz WJBXHABXRIBVKZ-JTQLQIEISA-N -1 0 341.363 3.547 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2c(-c3ccccc3)ncn2C2CC2)o1 ZINC000685915456 1036802126 /nfs/dbraw/zinc/80/21/26/1036802126.db2.gz UCDADLUHQZBMED-UHFFFAOYSA-N -1 0 343.408 3.587 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263369793 1036833119 /nfs/dbraw/zinc/83/31/19/1036833119.db2.gz VATHWUIXYSKBNM-ONGXEEELSA-N -1 0 335.400 3.532 20 0 EHADRM C[C@H](NC(=O)N=c1[n-]nc(C(C)(C)C)s1)C(C)(C)c1ccccc1 ZINC000590325662 1036833416 /nfs/dbraw/zinc/83/34/16/1036833416.db2.gz SHMCWJVHOOCKFN-LBPRGKRZSA-N -1 0 346.500 3.745 20 0 EHADRM CCN(C(=O)Cc1csc(C(C)(C)C)n1)c1cccc(C(=O)[O-])c1 ZINC000737835865 1036888350 /nfs/dbraw/zinc/88/83/50/1036888350.db2.gz WAFZYZVSWWLWOO-UHFFFAOYSA-N -1 0 346.452 3.734 20 0 EHADRM C[C@@H](NC(=O)c1ccccc1SCc1cccs1)[C@H](C)C(=O)[O-] ZINC000263433381 1036908182 /nfs/dbraw/zinc/90/81/82/1036908182.db2.gz LBNLMKVJUOHVQL-NWDGAFQWSA-N -1 0 349.477 3.879 20 0 EHADRM CCC(CC)c1cc(C(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])on1 ZINC000539568429 1036926266 /nfs/dbraw/zinc/92/62/66/1036926266.db2.gz SGKWEZDKHQNBKF-KGLIPLIRSA-N -1 0 336.432 3.732 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccno2)cc1F ZINC000542017331 1036967387 /nfs/dbraw/zinc/96/73/87/1036967387.db2.gz ABWKUOOSSUBVBN-UHFFFAOYSA-N -1 0 346.383 3.844 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C1CCCCC1 ZINC000539603535 1036967748 /nfs/dbraw/zinc/96/77/48/1036967748.db2.gz FIKYPIPPHHBWCU-PBHICJAKSA-N -1 0 349.496 3.848 20 0 EHADRM COc1cccc(SCC(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC000913613422 1036968445 /nfs/dbraw/zinc/96/84/45/1036968445.db2.gz ZTHIFQQGRXDHIG-JXMROGBWSA-N -1 0 343.404 3.524 20 0 EHADRM Cc1cccc(Oc2ccc(NC(=O)N(C)C[C@H](C)C(=O)[O-])cc2)c1 ZINC000263486136 1036980153 /nfs/dbraw/zinc/98/01/53/1036980153.db2.gz MUBSLDJSJQBNLX-AWEZNQCLSA-N -1 0 342.395 3.972 20 0 EHADRM CC(C)Oc1ccc(NC(=O)NC(C)(C)CCC(=O)[O-])cc1Cl ZINC000263511971 1037029257 /nfs/dbraw/zinc/02/92/57/1037029257.db2.gz YCHAUUWZOZBGHA-UHFFFAOYSA-N -1 0 342.823 3.892 20 0 EHADRM CCC[C@H](CCc1ccccc1)NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000539677005 1037055437 /nfs/dbraw/zinc/05/54/37/1037055437.db2.gz RLMKBJWCUWZALJ-LJQANCHMSA-N -1 0 339.435 3.845 20 0 EHADRM CCOc1ccccc1N=c1[n-]nc(S[C@H](C)C(=O)C2CC2)s1 ZINC000539670921 1037062133 /nfs/dbraw/zinc/06/21/33/1037062133.db2.gz YCXHXUCFKSJCHW-SNVBAGLBSA-N -1 0 349.481 3.562 20 0 EHADRM CCC(CC)c1nnc([N-]S(=O)(=O)c2ccc(F)cc2F)s1 ZINC000176595069 1037072115 /nfs/dbraw/zinc/07/21/15/1037072115.db2.gz XNCNSEXUKSOVRT-UHFFFAOYSA-N -1 0 347.412 3.521 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2nc(-c3ccccc3)cs2)c1 ZINC000057706640 1037075095 /nfs/dbraw/zinc/07/50/95/1037075095.db2.gz RXCLMAXCNCBBOE-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM C=Cc1ccc(S(=O)(=O)[N-]c2cnn(CCC(C)C)c2C)cc1 ZINC000414373215 1037092956 /nfs/dbraw/zinc/09/29/56/1037092956.db2.gz LZPWIWASJHSYCV-UHFFFAOYSA-N -1 0 333.457 3.681 20 0 EHADRM CCCCc1n[n-]c(=NCc2csc(Br)c2)s1 ZINC000539709272 1037097286 /nfs/dbraw/zinc/09/72/86/1037097286.db2.gz NJRKVRZFUGWEPH-UHFFFAOYSA-N -1 0 332.292 3.739 20 0 EHADRM O=C([O-])C1CCC(Nc2cncc(SCc3ccccc3)n2)CC1 ZINC000263556937 1037127388 /nfs/dbraw/zinc/12/73/88/1037127388.db2.gz OYMKFBVDCYCJOH-UHFFFAOYSA-N -1 0 343.452 3.824 20 0 EHADRM C=Cc1ccc(S(=O)(=O)[N-]c2cnn(CCC(C)C)c2CC)cc1 ZINC000414378557 1037131626 /nfs/dbraw/zinc/13/16/26/1037131626.db2.gz DLCANRKSNLNGFD-UHFFFAOYSA-N -1 0 347.484 3.935 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1cccc(CC(=O)[O-])c1)CC2 ZINC000653644465 1037149082 /nfs/dbraw/zinc/14/90/82/1037149082.db2.gz NWCHJHLLCNROLD-IBGZPJMESA-N -1 0 337.419 3.854 20 0 EHADRM O=C([O-])c1csc([C@@H]2CCCN2c2ccc(C(F)(F)F)cn2)n1 ZINC000573004297 1037151952 /nfs/dbraw/zinc/15/19/52/1037151952.db2.gz WHVHDDRYPXLUHH-JTQLQIEISA-N -1 0 343.330 3.597 20 0 EHADRM O=C([O-])CCCCNC(=O)N1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000666557522 1037207777 /nfs/dbraw/zinc/20/77/77/1037207777.db2.gz MNBNUMRZSNIILL-SFHVURJKSA-N -1 0 344.455 3.958 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000089287246 1037210963 /nfs/dbraw/zinc/21/09/63/1037210963.db2.gz RXPWGNPZMBZNAN-QWRGUYRKSA-N -1 0 334.224 3.569 20 0 EHADRM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1cnoc1C1CC1 ZINC000414389917 1037252473 /nfs/dbraw/zinc/25/24/73/1037252473.db2.gz UJGYPITULTUUHR-UHFFFAOYSA-N -1 0 346.330 3.680 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)cc1 ZINC000659118080 1037289513 /nfs/dbraw/zinc/28/95/13/1037289513.db2.gz TWBGOWPSXMJMKW-NTDBWNAOSA-N -1 0 345.439 3.544 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)C2[C@@H]3CCCCCC[C@@H]23)cc1 ZINC000659118082 1037290744 /nfs/dbraw/zinc/29/07/44/1037290744.db2.gz TWBGOWPSXMJMKW-ZACQAIPSSA-N -1 0 345.439 3.544 20 0 EHADRM C[C@H](CC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)[C@H]1CCCO1 ZINC000659129745 1037332109 /nfs/dbraw/zinc/33/21/09/1037332109.db2.gz ACGFJYSFSPTZAI-ZWNOBZJWSA-N -1 0 333.409 3.743 20 0 EHADRM O=C(Nc1ccc2oc(C3CC3)nc2c1)c1cc(F)c([O-])c(F)c1 ZINC000177048471 1037337440 /nfs/dbraw/zinc/33/74/40/1037337440.db2.gz GRAFEKNWCZQPFB-UHFFFAOYSA-N -1 0 330.290 3.941 20 0 EHADRM Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000177067554 1037349195 /nfs/dbraw/zinc/34/91/95/1037349195.db2.gz SVBZZWXMPDVQRC-UHFFFAOYSA-N -1 0 346.333 3.580 20 0 EHADRM CCC[C@@H](C(=O)N1CCC(C)(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000659141474 1037362089 /nfs/dbraw/zinc/36/20/89/1037362089.db2.gz BPIKRMNPVRWMFU-OAHLLOKOSA-N -1 0 337.847 3.937 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)NCc2ccc(-c3cccs3)cc2)C1 ZINC000659170292 1037412216 /nfs/dbraw/zinc/41/22/16/1037412216.db2.gz LJTJGNFMICVGMJ-HOTGVXAUSA-N -1 0 343.448 3.922 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NCc2ccc(-c3cccs3)cc2)C1 ZINC000659170293 1037413278 /nfs/dbraw/zinc/41/32/78/1037413278.db2.gz LJTJGNFMICVGMJ-HZPDHXFCSA-N -1 0 343.448 3.922 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2cccc(C)c2Cl)n1 ZINC000659183763 1037436249 /nfs/dbraw/zinc/43/62/49/1037436249.db2.gz YXCDAHPDCAVNOD-GFCCVEGCSA-N -1 0 335.791 3.523 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)CCc2ccc(Cl)cc2)n1 ZINC000659185470 1037445467 /nfs/dbraw/zinc/44/54/67/1037445467.db2.gz PPEMZNNENUEVQF-CQSZACIVSA-N -1 0 349.818 3.534 20 0 EHADRM COc1nc(C(F)(F)F)ccc1-c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000519835994 1037456740 /nfs/dbraw/zinc/45/67/40/1037456740.db2.gz ZLFMMSPOBWEOMV-SECBINFHSA-N -1 0 341.285 3.628 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000659191581 1037459580 /nfs/dbraw/zinc/45/95/80/1037459580.db2.gz LXOYLDASXCSUOU-IJEWVQPXSA-N -1 0 333.428 3.817 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCSc2ccccc2)[C@@H]2CCCC[C@@H]12 ZINC000659194094 1037462176 /nfs/dbraw/zinc/46/21/76/1037462176.db2.gz LGFZSUDYTZHQNF-GVDBMIGSSA-N -1 0 347.480 3.661 20 0 EHADRM Fc1cccc(F)c1[C@H]1C[C@H]1N=c1nc(-c2ccccc2)[n-]s1 ZINC000462847710 1037464230 /nfs/dbraw/zinc/46/42/30/1037464230.db2.gz GXVIHJRDBWYNPQ-SMDDNHRTSA-N -1 0 329.375 3.873 20 0 EHADRM Cc1c(C(=O)NC[C@H](CC(=O)[O-])C2CC2)sc2cccc(F)c12 ZINC000659206831 1037487102 /nfs/dbraw/zinc/48/71/02/1037487102.db2.gz NPDUQXRWRHPEIW-NSHDSACASA-N -1 0 335.400 3.580 20 0 EHADRM CCOc1ccccc1CCC(=O)Nc1cc(C(=O)CC)ccc1[O-] ZINC000462919655 1037535543 /nfs/dbraw/zinc/53/55/43/1037535543.db2.gz QPLXBDNTHHQSQE-UHFFFAOYSA-N -1 0 341.407 3.955 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)C1CCC(c2ccccc2)CC1 ZINC000659235992 1037551646 /nfs/dbraw/zinc/55/16/46/1037551646.db2.gz DSJNKVQUWGVHJE-TXTJOAKRSA-N -1 0 329.440 3.720 20 0 EHADRM CC(C)Oc1ccc(/C=C\C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000493700541 1037568215 /nfs/dbraw/zinc/56/82/15/1037568215.db2.gz XVOFIOVFJTZJGZ-GJBHZFNWSA-N -1 0 345.439 3.590 20 0 EHADRM CCCCn1ncc(C(=O)Nc2cc(C(=O)CC)ccc2[O-])c1CC ZINC000462935716 1037570271 /nfs/dbraw/zinc/57/02/71/1037570271.db2.gz PVDGLZUCNXVMEC-UHFFFAOYSA-N -1 0 343.427 3.796 20 0 EHADRM O=C(/C=C/c1ccc2c(c1)OCO2)Nc1cc(Cl)c([O-])cc1F ZINC000493751506 1037598604 /nfs/dbraw/zinc/59/86/04/1037598604.db2.gz JEYYVOWNVWJXGY-DUXPYHPUSA-N -1 0 335.718 3.565 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)NCc2cc3ccccc3s2)s[n-]1 ZINC000573597773 1037624157 /nfs/dbraw/zinc/62/41/57/1037624157.db2.gz ZBWOCSIJBSONSY-UHFFFAOYSA-N -1 0 346.481 3.794 20 0 EHADRM CC(C)Oc1ccc(COCCCC[P@@](=O)([O-])O)cc1Cl ZINC001225019007 1037648140 /nfs/dbraw/zinc/64/81/40/1037648140.db2.gz OFLDLBZYZZRRES-UHFFFAOYSA-N -1 0 336.752 3.602 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)N(Cc1ccccc1)CC1CCC1 ZINC000532564726 1037655301 /nfs/dbraw/zinc/65/53/01/1037655301.db2.gz MNCKQOPNZMAAKC-UHFFFAOYSA-N -1 0 336.439 3.610 20 0 EHADRM C/C=C\c1ccc([N-]S(=O)(=O)c2cccnc2C(F)(F)F)cc1 ZINC000573638520 1037667681 /nfs/dbraw/zinc/66/76/81/1037667681.db2.gz IEXLGZWTBUPBHE-RQOWECAXSA-N -1 0 342.342 3.934 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)o1 ZINC000540217987 1037700815 /nfs/dbraw/zinc/70/08/15/1037700815.db2.gz XHLQVNMCGSOLCN-UHFFFAOYSA-N -1 0 333.331 3.884 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@]2(Cc2ccccc2)C(=O)[O-])cc1 ZINC000573829695 1037762688 /nfs/dbraw/zinc/76/26/88/1037762688.db2.gz PRHTZCLPNGGLTN-FQEVSTJZSA-N -1 0 338.407 3.689 20 0 EHADRM CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)s1 ZINC000151801490 1037782591 /nfs/dbraw/zinc/78/25/91/1037782591.db2.gz MERVOXYCUPCRKS-UHFFFAOYSA-N -1 0 343.408 3.641 20 0 EHADRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(OC(C)C)c(Cl)c1 ZINC000031721511 1037789860 /nfs/dbraw/zinc/78/98/60/1037789860.db2.gz ZHIGBZHQQBIYIX-UHFFFAOYSA-N -1 0 344.820 3.533 20 0 EHADRM Cc1ccc(NC(=O)c2cc(Br)cc(Cl)c2[O-])nc1 ZINC000303877235 1037811651 /nfs/dbraw/zinc/81/16/51/1037811651.db2.gz OACMRLZPUYDTBB-UHFFFAOYSA-N -1 0 341.592 3.764 20 0 EHADRM CC[C@@H](Sc1n[n-]c(=NCCOC)s1)c1ccc(Cl)cc1 ZINC000494092126 1037813886 /nfs/dbraw/zinc/81/38/86/1037813886.db2.gz JHVZLXLFEFCTJD-GFCCVEGCSA-N -1 0 343.905 3.915 20 0 EHADRM CC(C)Cc1n[n-]c(=NCc2ccc(Br)c(Cl)c2)o1 ZINC000492024580 1037880436 /nfs/dbraw/zinc/88/04/36/1037880436.db2.gz QHOPFZLBPUCKRD-UHFFFAOYSA-N -1 0 344.640 3.718 20 0 EHADRM O=C(N=c1[n-]nc(C2CC2)s1)NCc1c(Cl)oc2ccccc21 ZINC000626205536 1037904445 /nfs/dbraw/zinc/90/44/45/1037904445.db2.gz DZXJXDPTHPCVIE-UHFFFAOYSA-N -1 0 348.815 3.559 20 0 EHADRM Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cccc(OCCC(=O)[O-])c2)c1 ZINC000058465013 1037938177 /nfs/dbraw/zinc/93/81/77/1037938177.db2.gz YOJBEDNLXRRKFB-WQRHYEAKSA-N -1 0 349.386 3.947 20 0 EHADRM CC(C)c1noc(=NCc2ccc(Br)c(Cl)c2)[n-]1 ZINC000492077400 1037955251 /nfs/dbraw/zinc/95/52/51/1037955251.db2.gz BGTQKRPDWNIKQR-UHFFFAOYSA-N -1 0 330.613 3.643 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2nccc(-c3ccccc3)n2)cc1 ZINC000463365540 1038075016 /nfs/dbraw/zinc/07/50/16/1038075016.db2.gz FEFXUUJWMYCPIO-UHFFFAOYSA-N -1 0 339.420 3.507 20 0 EHADRM CC[C@H]1[C@H](C)CCN1C(=O)c1cc(F)cc(Br)c1[O-] ZINC000416210026 1038338399 /nfs/dbraw/zinc/33/83/99/1038338399.db2.gz NWXNNETUHKQKKN-PELKAZGASA-N -1 0 330.197 3.554 20 0 EHADRM C[C@H](CNC(=O)CCc1ccccc1C(=O)[O-])c1ccc(F)cc1F ZINC000538582849 1038405116 /nfs/dbraw/zinc/40/51/16/1038405116.db2.gz PHGICALCQFXZJT-GFCCVEGCSA-N -1 0 347.361 3.516 20 0 EHADRM Cc1cc(C)c(CN=c2[n-]nc(CCOc3ccccc3)o2)c(C)c1 ZINC000538593594 1038405292 /nfs/dbraw/zinc/40/52/92/1038405292.db2.gz ZGVOMVKAFVFRJS-UHFFFAOYSA-N -1 0 337.423 3.650 20 0 EHADRM CCCOc1ccc(CN=c2[n-]nc(CCc3ccccc3)o2)cc1 ZINC000538594049 1038407330 /nfs/dbraw/zinc/40/73/30/1038407330.db2.gz RQNAVTPUTLEYTC-UHFFFAOYSA-N -1 0 337.423 3.678 20 0 EHADRM CC(C)Oc1cccc(CN=c2[n-]nc(Cc3cccc(F)c3)o2)c1 ZINC000538593490 1038423943 /nfs/dbraw/zinc/42/39/43/1038423943.db2.gz PCADKCMSPASAQX-UHFFFAOYSA-N -1 0 341.386 3.621 20 0 EHADRM c1n[n-]c(=NCc2cccc(OCCCc3ccccc3)c2)s1 ZINC000538607966 1038432850 /nfs/dbraw/zinc/43/28/50/1038432850.db2.gz JHSNBTREMPFBIO-UHFFFAOYSA-N -1 0 325.437 3.584 20 0 EHADRM CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000552022667 1038449354 /nfs/dbraw/zinc/44/93/54/1038449354.db2.gz YKSRNSZOMGRHNP-UHFFFAOYSA-N -1 0 327.424 3.673 20 0 EHADRM C[C@H](C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1nccs1 ZINC000182168932 1038555060 /nfs/dbraw/zinc/55/50/60/1038555060.db2.gz MWBJUXXLGICFMF-BQNBSLLUSA-N -1 0 325.777 3.633 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(C)cc2C)nn1-c1ccccc1 ZINC000538939179 1038603771 /nfs/dbraw/zinc/60/37/71/1038603771.db2.gz OZXCVPDXSMZGPP-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM CCCc1nc(=Nc2cccc(COCCOC(C)C)c2)s[n-]1 ZINC000461781639 1038607879 /nfs/dbraw/zinc/60/78/79/1038607879.db2.gz YFFGTPNMGSOIEQ-UHFFFAOYSA-N -1 0 335.473 3.598 20 0 EHADRM O=C([O-])[C@@H]1CCN(c2nc(-c3ccccc3C(F)(F)F)cs2)C1 ZINC000416385840 1038619684 /nfs/dbraw/zinc/61/96/84/1038619684.db2.gz HJINRISOAVHJGO-SECBINFHSA-N -1 0 342.342 3.740 20 0 EHADRM C/C(=C/C(=O)Nc1ccccc1-n1ccc(C(=O)[O-])n1)c1ccccc1 ZINC000236678402 1038739301 /nfs/dbraw/zinc/73/93/01/1038739301.db2.gz BVEUSNAVKYNRES-YPKPFQOOSA-N -1 0 347.374 3.613 20 0 EHADRM CCc1c2ccccc2oc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC000910239473 1038784654 /nfs/dbraw/zinc/78/46/54/1038784654.db2.gz KZJPWFRYEGHKDW-CWRNSKLLSA-N -1 0 341.407 3.711 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cc1)c1cc(C(F)(F)F)ccc1F ZINC000485261199 1038826193 /nfs/dbraw/zinc/82/61/93/1038826193.db2.gz XHUJEOBPPSUGMR-UHFFFAOYSA-N -1 0 337.269 3.784 20 0 EHADRM CC1(/C=C/C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)CCOCC1 ZINC000910359523 1038852527 /nfs/dbraw/zinc/85/25/27/1038852527.db2.gz BZZREBNWDSXTKH-VOTSOKGWSA-N -1 0 339.391 3.849 20 0 EHADRM CC[C@@H]1C[C@H](C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)CCO1 ZINC000910359548 1038856242 /nfs/dbraw/zinc/85/62/42/1038856242.db2.gz CYDBPCFOOREYJH-UKRRQHHQSA-N -1 0 327.380 3.682 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)c2cccc3c2CCCC3)c2ccccc21 ZINC000910366344 1038863994 /nfs/dbraw/zinc/86/39/94/1038863994.db2.gz ARFTWEHQXVCUJY-HNNXBMFYSA-N -1 0 335.403 3.784 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccoc1C1CC1)c1ccccc1Cl ZINC000910405001 1038885504 /nfs/dbraw/zinc/88/55/04/1038885504.db2.gz CIIRIWPCNPVSBP-CQSZACIVSA-N -1 0 333.771 3.756 20 0 EHADRM C[C@H](C(=O)N[C@H](CC(=O)[O-])c1ccccc1Cl)c1ccsc1 ZINC000910404679 1038887129 /nfs/dbraw/zinc/88/71/29/1038887129.db2.gz YIOFWMKKPVKDKH-IINYFYTJSA-N -1 0 337.828 3.837 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cccc3ccncc32)c1Cl ZINC000539399417 1038896987 /nfs/dbraw/zinc/89/69/87/1038896987.db2.gz NJJDJGWYGLRTBP-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N[C@H](CC(=O)[O-])c2ccccc2C)cc1 ZINC000236946734 1038906179 /nfs/dbraw/zinc/90/61/79/1038906179.db2.gz XHACWBYVBGWVOQ-DNVCBOLYSA-N -1 0 339.435 3.993 20 0 EHADRM CCn1c(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc2ccccc21 ZINC000236988681 1038918622 /nfs/dbraw/zinc/91/86/22/1038918622.db2.gz PIUUSCPFICQSPP-HFTRVMKXSA-N -1 0 340.423 3.519 20 0 EHADRM Cc1ccc2ccnc(N3CCC(C(=O)[O-])(C(F)(F)F)CC3)c2c1 ZINC000910472259 1038929652 /nfs/dbraw/zinc/92/96/52/1038929652.db2.gz YAYXCMLZTLETDV-UHFFFAOYSA-N -1 0 338.329 3.777 20 0 EHADRM C[C@H](Cc1n[n-]c(=NCc2ccc(-c3cc[nH]n3)o2)o1)CC(C)(C)C ZINC000432727119 1038930680 /nfs/dbraw/zinc/93/06/80/1038930680.db2.gz HTMSQMKLOQJRAB-GFCCVEGCSA-N -1 0 343.431 3.702 20 0 EHADRM CC(=O)c1cccc(NC(=O)c2c(C)onc2-c2ccccc2)c1O ZINC000552070551 1038938739 /nfs/dbraw/zinc/93/87/39/1038938739.db2.gz VXXRRLAJOOEFCW-UHFFFAOYSA-N -1 0 336.347 3.811 20 0 EHADRM C[C@@H](CC(=O)N1CCc2cc(C(=O)[O-])ccc2C1)c1ccc(F)cc1 ZINC000910497300 1038945148 /nfs/dbraw/zinc/94/51/48/1038945148.db2.gz DVHCMRPNAAWAEY-ZDUSSCGKSA-N -1 0 341.382 3.602 20 0 EHADRM Cc1ccc(CCCC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)cc1 ZINC000910499327 1038946846 /nfs/dbraw/zinc/94/68/46/1038946846.db2.gz RQVHZLARDDXHND-UHFFFAOYSA-N -1 0 337.419 3.601 20 0 EHADRM O=S(=O)([N-]c1cncc(F)c1)c1cc2cc(Cl)ccc2s1 ZINC000500543613 1038953354 /nfs/dbraw/zinc/95/33/54/1038953354.db2.gz DZJWXTLYGYGCIP-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)C1CCCC1 ZINC000910567739 1038968157 /nfs/dbraw/zinc/96/81/57/1038968157.db2.gz MHXLGCWDSKXSPV-UPJWGTAASA-N -1 0 335.366 3.505 20 0 EHADRM Cc1ccc(OC(F)F)c(CSc2n[n-]c(=NC3CC3)s2)c1 ZINC000488231917 1038978515 /nfs/dbraw/zinc/97/85/15/1038978515.db2.gz IQILVDYKLPJNBR-UHFFFAOYSA-N -1 0 343.424 3.736 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1cc2c(s1)CCC2 ZINC000910621318 1038990096 /nfs/dbraw/zinc/99/00/96/1038990096.db2.gz JUFBWDNYGJGLGI-UHFFFAOYSA-N -1 0 331.393 3.586 20 0 EHADRM COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1c(C)cc(F)cc1C ZINC000485391193 1038994521 /nfs/dbraw/zinc/99/45/21/1038994521.db2.gz PTXZHMGFFWYAKG-UHFFFAOYSA-N -1 0 345.342 3.530 20 0 EHADRM O=C([O-])CCc1csc(NC(=O)CC[C@H]2CCc3ccccc32)n1 ZINC000910648457 1039002234 /nfs/dbraw/zinc/00/22/34/1039002234.db2.gz JBTNFEQHYSUDPS-CYBMUJFWSA-N -1 0 344.436 3.609 20 0 EHADRM Cc1cn(C2CCCCC2)nc1NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000910648713 1039003346 /nfs/dbraw/zinc/00/33/46/1039003346.db2.gz XRGFDYQENBLYBU-CSKARUKUSA-N -1 0 343.383 3.640 20 0 EHADRM CCCc1c(NC(=O)C[C@H](C)CC(=O)[O-])cnn1-c1cccc(C)c1 ZINC000910657652 1039005090 /nfs/dbraw/zinc/00/50/90/1039005090.db2.gz GONBSKKBIGTADX-AWEZNQCLSA-N -1 0 343.427 3.573 20 0 EHADRM CCc1c(NC(=O)CC2CCC(C(=O)[O-])CC2)cnn1CCC(C)C ZINC000910656258 1039005958 /nfs/dbraw/zinc/00/59/58/1039005958.db2.gz KCMYIGJAIACEPG-UHFFFAOYSA-N -1 0 349.475 3.711 20 0 EHADRM CC[C@@H](C)[C@H](C(=O)Nc1ncc(CC(=O)[O-])s1)c1ccccc1 ZINC000910673691 1039011815 /nfs/dbraw/zinc/01/18/15/1039011815.db2.gz QLFJFPUQCFHARF-ABAIWWIYSA-N -1 0 332.425 3.539 20 0 EHADRM Cc1cccc(C2(C(=O)Nc3ncc(CC(=O)[O-])s3)CCCC2)c1 ZINC000910673434 1039013375 /nfs/dbraw/zinc/01/33/75/1039013375.db2.gz ZXKMHNWPTOTJIV-UHFFFAOYSA-N -1 0 344.436 3.529 20 0 EHADRM CCCCS[C@H](C)C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC000910698303 1039024514 /nfs/dbraw/zinc/02/45/14/1039024514.db2.gz BHCVJHUEMCUSKN-SECBINFHSA-N -1 0 330.475 3.825 20 0 EHADRM COCCOc1cc(C(=O)[O-])ccc1NC(=O)CCCC(C)(C)C ZINC000910698179 1039025327 /nfs/dbraw/zinc/02/53/27/1039025327.db2.gz YFKJGIGPRLGLQX-UHFFFAOYSA-N -1 0 337.416 3.565 20 0 EHADRM CC(C)c1scnc1C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910740854 1039048122 /nfs/dbraw/zinc/04/81/22/1039048122.db2.gz MIMMBHZNANMSSY-UHFFFAOYSA-N -1 0 337.426 3.551 20 0 EHADRM CSC[C@@H](C)N=c1[n-]c(C(F)(F)F)c(Br)s1 ZINC000418873349 1039077912 /nfs/dbraw/zinc/07/79/12/1039077912.db2.gz XOFBJDKPFPZIFO-SCSAIBSYSA-N -1 0 335.214 3.510 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C3CC3)nc(C)n2)cc1 ZINC000485443233 1039088558 /nfs/dbraw/zinc/08/85/58/1039088558.db2.gz CRNPSHFBLRYVKT-GFCCVEGCSA-N -1 0 345.468 3.977 20 0 EHADRM C[C@H](NC(=S)NNc1ccc(Cl)c(C(=O)[O-])c1)c1ccccc1 ZINC000044051859 1039089629 /nfs/dbraw/zinc/08/96/29/1039089629.db2.gz ZPLHPOBCCQVDFW-JTQLQIEISA-N -1 0 349.843 3.590 20 0 EHADRM Cc1ccc(C(=O)Nc2cnccc2OC(C)(C)C)cc1C(=O)[O-] ZINC000910802656 1039099856 /nfs/dbraw/zinc/09/98/56/1039099856.db2.gz LENZHPQLVAJIDO-UHFFFAOYSA-N -1 0 328.368 3.518 20 0 EHADRM CC(C)C[C@H](C(=O)NC1CC(CC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000910806674 1039101586 /nfs/dbraw/zinc/10/15/86/1039101586.db2.gz CIBMGJYELANJKW-MOQPWLNLSA-N -1 0 337.847 3.839 20 0 EHADRM CC[C@@H](O)CSc1n[n-]c(=Nc2ccc(C)c(Cl)c2)s1 ZINC000488360832 1039122408 /nfs/dbraw/zinc/12/24/08/1039122408.db2.gz AELRAMYPVJVPEP-SNVBAGLBSA-N -1 0 329.878 3.528 20 0 EHADRM CCC(CC)(NC(=O)N[C@H](C)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000570150488 1039150650 /nfs/dbraw/zinc/15/06/50/1039150650.db2.gz YENLZIDBUMTZEX-SECBINFHSA-N -1 0 347.242 3.997 20 0 EHADRM CSc1ccc(NC(=O)CCO[C@H](C)CC(C)C)cc1C(=O)[O-] ZINC000910950302 1039153652 /nfs/dbraw/zinc/15/36/52/1039153652.db2.gz WCDKVSXOGNTIEH-GFCCVEGCSA-N -1 0 339.457 3.887 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)OCc1ccc(F)cc1 ZINC000910957733 1039157345 /nfs/dbraw/zinc/15/73/45/1039157345.db2.gz CVZOETBRWPDKFM-LBPRGKRZSA-N -1 0 345.370 3.630 20 0 EHADRM CSc1ccc(NC(=O)c2ccn(C3CCCC3)n2)cc1C(=O)[O-] ZINC000910947271 1039169678 /nfs/dbraw/zinc/16/96/78/1039169678.db2.gz BDNSTQYKNNUOIF-UHFFFAOYSA-N -1 0 345.424 3.671 20 0 EHADRM CCN(C(=O)[C@@H]1CCCc2c(O)cccc21)c1cccc(C(=O)[O-])c1 ZINC000910968693 1039172125 /nfs/dbraw/zinc/17/21/25/1039172125.db2.gz XLOACQQYLOJNQT-QGZVFWFLSA-N -1 0 339.391 3.563 20 0 EHADRM C[C@]1(Cc2ccc(Cl)s2)CCCN1C(=O)CCCCC(=O)[O-] ZINC000911061547 1039220060 /nfs/dbraw/zinc/22/00/60/1039220060.db2.gz JASPOARSPTXULZ-MRXNPFEDSA-N -1 0 343.876 3.970 20 0 EHADRM Cc1ccc(N(Cc2cccs2)C(=O)[C@@H]2CC[C@@H]2C(=O)[O-])cc1 ZINC000911220410 1039287123 /nfs/dbraw/zinc/28/71/23/1039287123.db2.gz APPXSXXTKJYONQ-CVEARBPZSA-N -1 0 329.421 3.701 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1cc(-c2ccccc2)on1 ZINC000488595029 1039299149 /nfs/dbraw/zinc/29/91/49/1039299149.db2.gz LQWKOBWJRZBYTM-UHFFFAOYSA-N -1 0 328.393 3.705 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)c(F)c1 ZINC000480231352 1039334129 /nfs/dbraw/zinc/33/41/29/1039334129.db2.gz RTMWKHIITCBJFL-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CC[C@@H](c1ccncc1)N(CC)C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000911416111 1039346977 /nfs/dbraw/zinc/34/69/77/1039346977.db2.gz ITNJJBSYXGWHML-PREGVCBESA-N -1 0 332.444 3.662 20 0 EHADRM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(C)c(C(=O)[O-])c2)s1 ZINC000911429252 1039360252 /nfs/dbraw/zinc/36/02/52/1039360252.db2.gz YEIZMBIZVUIUIN-GFCCVEGCSA-N -1 0 346.452 3.854 20 0 EHADRM CCN(C(=O)c1nn(-c2ccccc2)cc1[O-])c1cccc(Cl)c1 ZINC000485666778 1039379958 /nfs/dbraw/zinc/37/99/58/1039379958.db2.gz YTJAFAZCSGIFOF-UHFFFAOYSA-N -1 0 341.798 3.898 20 0 EHADRM Fc1ccc(CCCCN=c2[n-]nc(C(F)(F)F)s2)cc1F ZINC000480280019 1039389921 /nfs/dbraw/zinc/38/99/21/1039389921.db2.gz TUEFOBCMMURONT-UHFFFAOYSA-N -1 0 337.317 3.692 20 0 EHADRM CC(C)(C)Oc1cc(F)ccc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000911497721 1039391494 /nfs/dbraw/zinc/39/14/94/1039391494.db2.gz LHCUNTIUXTZHOB-OLZOCXBDSA-N -1 0 337.391 3.833 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)NCc2cc3ccccc3s2)s1 ZINC000552618491 1039401949 /nfs/dbraw/zinc/40/19/49/1039401949.db2.gz AFPWABHWEOUNGT-UHFFFAOYSA-N -1 0 346.481 3.839 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1ccccc1CN(C)c1ccccc1 ZINC000911551776 1039408737 /nfs/dbraw/zinc/40/87/37/1039408737.db2.gz UTBGURYZIDBIOW-GOSISDBHSA-N -1 0 340.423 3.618 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CC(C)(C)[C@@H]2C(C)C)n1 ZINC000480319470 1039428186 /nfs/dbraw/zinc/42/81/86/1039428186.db2.gz NKZLWOHMEMRVEN-KRWDZBQOSA-N -1 0 345.418 3.532 20 0 EHADRM CN(CC(F)(F)F)C(=O)Nc1ccc(C(C)(C)C)cc1C(=O)[O-] ZINC000554532098 1039437749 /nfs/dbraw/zinc/43/77/49/1039437749.db2.gz PGMNGYSSTADUJF-UHFFFAOYSA-N -1 0 332.322 3.708 20 0 EHADRM CCC(CC)n1ccc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2F)n1 ZINC000911681019 1039455579 /nfs/dbraw/zinc/45/55/79/1039455579.db2.gz CCGVBWWIOPFPDM-UHFFFAOYSA-N -1 0 333.363 3.642 20 0 EHADRM Cc1cc(F)c(NC(=O)C[C@@H]2CCO[C@H](C(C)C)C2)cc1C(=O)[O-] ZINC000911685714 1039460735 /nfs/dbraw/zinc/46/07/35/1039460735.db2.gz FLQYSFXZMAWJLR-WBMJQRKESA-N -1 0 337.391 3.612 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC23CCC(C(F)(F)F)(CC2)CC3)s1 ZINC000911697143 1039467456 /nfs/dbraw/zinc/46/74/56/1039467456.db2.gz HULXKZFAEBTJLM-UHFFFAOYSA-N -1 0 347.358 3.831 20 0 EHADRM CO[C@@H](C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C)C1CCCCC1 ZINC000911734345 1039477083 /nfs/dbraw/zinc/47/70/83/1039477083.db2.gz RINBWZVDVWYRDR-MRXNPFEDSA-N -1 0 349.427 3.706 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000238099030 1039492098 /nfs/dbraw/zinc/49/20/98/1039492098.db2.gz RHPADWIVVGJZNJ-ZIAGYGMSSA-N -1 0 339.382 3.610 20 0 EHADRM Cc1csc(C(=O)N=c2ccc(-c3ccccc3)n[n-]2)c1Cl ZINC000485757097 1039497760 /nfs/dbraw/zinc/49/77/60/1039497760.db2.gz XPGGMOBAHDGHGX-UHFFFAOYSA-N -1 0 329.812 3.841 20 0 EHADRM O=C([O-])CCCCCNC(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000238153528 1039501055 /nfs/dbraw/zinc/50/10/55/1039501055.db2.gz GRSXYOVTPVSBRU-KBPBESRZSA-N -1 0 343.345 3.570 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)Cc1cn(C)c2ccccc12)C(=O)[O-] ZINC000236691604 1039511564 /nfs/dbraw/zinc/51/15/64/1039511564.db2.gz DTUFTIPDJNKHIY-HXUWFJFHSA-N -1 0 344.455 3.651 20 0 EHADRM CCC[C@](C)(NC(=O)N[C@H](C)c1oc2ccccc2c1C)C(=O)[O-] ZINC000554601390 1039525281 /nfs/dbraw/zinc/52/52/81/1039525281.db2.gz CAFHDFQHUVZZDQ-XIKOKIGWSA-N -1 0 332.400 3.745 20 0 EHADRM CC(C)N(C)c1ccccc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000500823235 1039547761 /nfs/dbraw/zinc/54/77/61/1039547761.db2.gz SZRRONHKYDMCGL-UHFFFAOYSA-N -1 0 340.395 3.610 20 0 EHADRM Cc1cccc(C[C@@H](CNC(=O)c2c(C)cc(C)cc2C)C(=O)[O-])c1 ZINC000261687809 1039570811 /nfs/dbraw/zinc/57/08/11/1039570811.db2.gz HGFKVAJLVGUEHY-SFHVURJKSA-N -1 0 339.435 3.594 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)cn1 ZINC000485819632 1039599523 /nfs/dbraw/zinc/59/95/23/1039599523.db2.gz VECRNDKPVFLUDY-UHFFFAOYSA-N -1 0 340.404 3.558 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(N3CCC(C)CC3)c2)c(C)o1 ZINC000345070906 1039618239 /nfs/dbraw/zinc/61/82/39/1039618239.db2.gz FULGUFLCJFEBOI-UHFFFAOYSA-N -1 0 348.468 3.934 20 0 EHADRM CC(C)(C)c1n[n-]c(=NCC2CCN(c3ccccc3)CC2)s1 ZINC000480502126 1039629593 /nfs/dbraw/zinc/62/95/93/1039629593.db2.gz VFQBKWKUXRIROS-UHFFFAOYSA-N -1 0 330.501 3.586 20 0 EHADRM CSc1nc(=NC(=O)c2sc3cc(F)ccc3c2C)s[n-]1 ZINC000478687353 1039640756 /nfs/dbraw/zinc/64/07/56/1039640756.db2.gz JRLBBMBJWYERFS-UHFFFAOYSA-N -1 0 339.442 3.596 20 0 EHADRM CCOc1ccc(C[C@H](CNC(=O)C[C@H](C)C(C)(C)C)C(=O)[O-])cc1 ZINC000485883833 1039647985 /nfs/dbraw/zinc/64/79/85/1039647985.db2.gz PDDGFJBPBCFCBV-GOEBONIOSA-N -1 0 349.471 3.517 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2cnc([C@@H](C)CC)nc2)cc1 ZINC000478711777 1039649093 /nfs/dbraw/zinc/64/90/93/1039649093.db2.gz VMLQWPYKPXTONQ-ZDUSSCGKSA-N -1 0 333.457 3.743 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)n2)c1 ZINC000187757473 1039723877 /nfs/dbraw/zinc/72/38/77/1039723877.db2.gz VNPOLNCIZUPOMM-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CC(C)Nc1ccc(F)cc1NC(=O)c1s[n-]c(=O)c1Cl ZINC000549763639 1039797010 /nfs/dbraw/zinc/79/70/10/1039797010.db2.gz OQBRGEIDEINBPM-UHFFFAOYSA-N -1 0 329.784 3.714 20 0 EHADRM Cc1cc(O)c2nc(/C=C\c3ccc(OCC(=O)[O-])cc3)ccc2c1 ZINC000478911634 1039807321 /nfs/dbraw/zinc/80/73/21/1039807321.db2.gz OLJBBSWPAKKDHO-KXFIGUGUSA-N -1 0 335.359 3.883 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)N=c1[n-]nc(CC(C)C)s1 ZINC000480639370 1039825222 /nfs/dbraw/zinc/82/52/22/1039825222.db2.gz SRMWANXIIORCBF-UHFFFAOYSA-N -1 0 328.441 3.509 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)c2ccc(OC)cc2Cl)n1 ZINC000584805474 1039914819 /nfs/dbraw/zinc/91/48/19/1039914819.db2.gz ZWAAHYYPYHDXBJ-UHFFFAOYSA-N -1 0 346.861 3.558 20 0 EHADRM O=S(=O)([N-]c1nc2ccccc2s1)c1ccc2ncsc2c1 ZINC000479065651 1039926456 /nfs/dbraw/zinc/92/64/56/1039926456.db2.gz JDJWRKVMFUVTLN-UHFFFAOYSA-N -1 0 347.446 3.707 20 0 EHADRM CCCN=c1[n-]nc(SCC[C@H](C)OCc2ccccc2)s1 ZINC000473409586 1039958824 /nfs/dbraw/zinc/95/88/24/1039958824.db2.gz RWDSXRLKMBSYOC-ZDUSSCGKSA-N -1 0 337.514 3.869 20 0 EHADRM CCc1cc(C2CC2)nc([N-]S(=O)(=O)c2cccc(C(C)C)c2)n1 ZINC000479107617 1039975258 /nfs/dbraw/zinc/97/52/58/1039975258.db2.gz MDUWJKBXKUJFTO-UHFFFAOYSA-N -1 0 345.468 3.841 20 0 EHADRM CC(C)c1cnc(CN[C@@H](CC(=O)[O-])c2ccc(F)cc2F)s1 ZINC000417557723 1039998374 /nfs/dbraw/zinc/99/83/74/1039998374.db2.gz CNQINHTWNPXRSQ-ZDUSSCGKSA-N -1 0 340.395 3.850 20 0 EHADRM O=C(CC1(C(=O)[O-])CCCCC1)N[C@@H]1CCSc2ccccc21 ZINC000322089467 1040009798 /nfs/dbraw/zinc/00/97/98/1040009798.db2.gz JMBSXZPOCILCCB-CQSZACIVSA-N -1 0 333.453 3.765 20 0 EHADRM CSCc1cnc(CN[C@@H](C(=O)[O-])c2cccc(C)c2C)s1 ZINC000417562466 1040011550 /nfs/dbraw/zinc/01/15/50/1040011550.db2.gz MNBOOWRTBYAWGD-OAHLLOKOSA-N -1 0 336.482 3.538 20 0 EHADRM CC(C)(C)c1cnc(CN[C@]2(C(=O)[O-])CCc3c2cccc3F)s1 ZINC000417566078 1040016032 /nfs/dbraw/zinc/01/60/32/1040016032.db2.gz LSPJEWUAVABXDG-GOSISDBHSA-N -1 0 348.443 3.596 20 0 EHADRM CCc1cnc(CN[C@@]2(C(=O)[O-])CCC(C)(C)c3ccccc32)s1 ZINC000417589275 1040040388 /nfs/dbraw/zinc/04/03/88/1040040388.db2.gz QDMZKVHLDQHCFC-IBGZPJMESA-N -1 0 344.480 3.847 20 0 EHADRM COc1ccc([C@H](C)CCN=c2[n-]c(C(F)(F)F)ns2)cc1 ZINC000553416382 1040041098 /nfs/dbraw/zinc/04/10/98/1040041098.db2.gz HVCLPNZHXMXZJA-SECBINFHSA-N -1 0 331.363 3.593 20 0 EHADRM CC[C@H](Cc1ccc(NCc2ccc([S@](C)=O)cc2)cc1)C(=O)[O-] ZINC000417610216 1040063340 /nfs/dbraw/zinc/06/33/40/1040063340.db2.gz MVHUEDZHAFYUJT-GYCJOSAFSA-N -1 0 345.464 3.689 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NCc2ccc(N3CCCC3)nc2)cc1 ZINC000417622987 1040075422 /nfs/dbraw/zinc/07/54/22/1040075422.db2.gz ILTBPRUQYBOENU-UHFFFAOYSA-N -1 0 339.439 3.656 20 0 EHADRM C[C@@H](CC(=O)[O-])c1ccc(NCc2ccc([S@@](C)=O)cc2)cc1 ZINC000417611179 1040079103 /nfs/dbraw/zinc/07/91/03/1040079103.db2.gz OKBCMVVYUHKBEN-ZAMGYDSWSA-N -1 0 331.437 3.614 20 0 EHADRM CCCOc1ccc(C(=O)[O-])cc1NCc1ccc(NC(C)=O)cc1 ZINC000417613702 1040083399 /nfs/dbraw/zinc/08/33/99/1040083399.db2.gz TXSIJMAUNSURQT-UHFFFAOYSA-N -1 0 342.395 3.744 20 0 EHADRM CC(C)[C@@H](C)CC(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000486368200 1040094577 /nfs/dbraw/zinc/09/45/77/1040094577.db2.gz HPNMXNDWHFLQQU-YJBOKZPZSA-N -1 0 341.451 3.882 20 0 EHADRM O=C([O-])[C@@H](CCSc1ccccc1)NCc1ncc(Cl)s1 ZINC000417624201 1040102228 /nfs/dbraw/zinc/10/22/28/1040102228.db2.gz QHSQNPLMRDSANZ-LLVKDONJSA-N -1 0 342.873 3.522 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)[C@@]2(C)CCC(C)=C(C)C2)sc1C(=O)[O-] ZINC000907629775 1040111632 /nfs/dbraw/zinc/11/16/32/1040111632.db2.gz TWVXBHQYAKGPNY-PXAZEXFGSA-N -1 0 336.457 3.854 20 0 EHADRM CC(C)Cn1cc(CNc2ccc(S[C@@H](C)C(=O)[O-])cc2)cn1 ZINC000417662407 1040128881 /nfs/dbraw/zinc/12/88/81/1040128881.db2.gz UTVIJKIUTWXFIU-ZDUSSCGKSA-N -1 0 333.457 3.716 20 0 EHADRM Cc1cccc2oc(C(=O)N3CC[C@H](C(=O)[O-])[C@H]4CCCC[C@@H]43)cc21 ZINC000907702813 1040133137 /nfs/dbraw/zinc/13/31/37/1040133137.db2.gz FEYXEINSXJEVEE-YCPHGPKFSA-N -1 0 341.407 3.847 20 0 EHADRM COc1ccc(CNc2ccc(S[C@@H](C)C(=O)[O-])cc2)c(OC)c1 ZINC000417654342 1040136078 /nfs/dbraw/zinc/13/60/78/1040136078.db2.gz IEZNJPDVTYYKTP-LBPRGKRZSA-N -1 0 347.436 3.881 20 0 EHADRM Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000489727245 1040159277 /nfs/dbraw/zinc/15/92/77/1040159277.db2.gz VCYNBZKSRZHTSU-RYUDHWBXSA-N -1 0 349.356 3.845 20 0 EHADRM Cc1sc(NC(=O)c2cc(C3CC3)oc2C2CC2)nc1C(=O)[O-] ZINC000907771049 1040161038 /nfs/dbraw/zinc/16/10/38/1040161038.db2.gz KGUAUYHJGMISGZ-UHFFFAOYSA-N -1 0 332.381 3.750 20 0 EHADRM O=C(CCc1nc2ccccc2[nH]1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000178646425 1040166978 /nfs/dbraw/zinc/16/69/78/1040166978.db2.gz VXCBKEBSIJMYPP-UHFFFAOYSA-N -1 0 338.392 3.564 20 0 EHADRM COc1cccc(-c2nc(=NC(=O)c3ccoc3C(C)C)s[n-]2)c1 ZINC000479390521 1040196334 /nfs/dbraw/zinc/19/63/34/1040196334.db2.gz HBVHOHWOBFMSCR-UHFFFAOYSA-N -1 0 343.408 3.604 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N[C@@H]3C[C@@H]4C[C@@H](C(=O)[O-])C[C@H]34)s2)o1 ZINC000907942985 1040239253 /nfs/dbraw/zinc/23/92/53/1040239253.db2.gz XLRBUWYLAXIJPW-QNWHQSFQSA-N -1 0 345.420 3.546 20 0 EHADRM COc1ccc(CN=c2[n-]nc(CC3CCCCC3)o2)c(C)c1OC ZINC000489974784 1040264844 /nfs/dbraw/zinc/26/48/44/1040264844.db2.gz ANWHLJSIYKGTJO-UHFFFAOYSA-N -1 0 345.443 3.552 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)NCCCOC1CCCC1)C1CCCCC1 ZINC000555195483 1040268323 /nfs/dbraw/zinc/26/83/23/1040268323.db2.gz DGFKKUIOUYWQKK-IBGZPJMESA-N -1 0 339.476 3.513 20 0 EHADRM CC(C)[C@@H](CN=c1[n-]nc(C2CCOCC2)s1)Cc1ccccc1 ZINC000555194256 1040268576 /nfs/dbraw/zinc/26/85/76/1040268576.db2.gz WLXBPVQUQVPXEA-QGZVFWFLSA-N -1 0 345.512 3.781 20 0 EHADRM CN(C(=O)CC(C)(C)CC(F)(F)F)c1cccc(CC(=O)[O-])c1 ZINC000908084148 1040279732 /nfs/dbraw/zinc/27/97/32/1040279732.db2.gz GCRBHNCLSYSRSR-UHFFFAOYSA-N -1 0 331.334 3.645 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccc(OC)c3ncccc23)s1 ZINC000486616362 1040285295 /nfs/dbraw/zinc/28/52/95/1040285295.db2.gz OHNJBDYFAMFARE-UHFFFAOYSA-N -1 0 348.449 3.668 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)N(C)c1cccc(CC(=O)[O-])c1 ZINC000908079862 1040290383 /nfs/dbraw/zinc/29/03/83/1040290383.db2.gz JRZFLZCGAAVLJL-CYBMUJFWSA-N -1 0 345.826 3.809 20 0 EHADRM CN(C(=O)CC(C)(C)c1ccccc1)c1cccc(CC(=O)[O-])c1 ZINC000908078856 1040290657 /nfs/dbraw/zinc/29/06/57/1040290657.db2.gz RZBXMGBPDYSSIE-UHFFFAOYSA-N -1 0 325.408 3.644 20 0 EHADRM CN(C(=O)[C@@H]1C[C@@]12CCCc1ccccc12)c1cccc(CC(=O)[O-])c1 ZINC000908078731 1040290692 /nfs/dbraw/zinc/29/06/92/1040290692.db2.gz AZBXZBNUJILTOU-SIKLNZKXSA-N -1 0 349.430 3.571 20 0 EHADRM Cc1cccc([C@@H](C)C(=O)Nc2cc(-c3n[nH]c(=O)[n-]3)ccc2C)c1 ZINC001625897425 1040302035 /nfs/dbraw/zinc/30/20/35/1040302035.db2.gz ZEAQKPTVLKGHBN-CYBMUJFWSA-N -1 0 336.395 3.536 20 0 EHADRM CC[C@@H](CC(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1)C(C)(C)C ZINC000908176738 1040319814 /nfs/dbraw/zinc/31/98/14/1040319814.db2.gz ZQYHWVXTCCXTCL-RYTBJUFESA-N -1 0 341.517 3.694 20 0 EHADRM CC(C)c1ccc(SCC(=O)NC[C@H](CC(=O)[O-])C2CC2)cc1 ZINC000659206991 1040322841 /nfs/dbraw/zinc/32/28/41/1040322841.db2.gz PMMSUSLOIFYLCG-HNNXBMFYSA-N -1 0 335.469 3.519 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccccc2C)c1Br ZINC000152129220 1040328573 /nfs/dbraw/zinc/32/85/73/1040328573.db2.gz XHQFFGBHKPBIIP-UHFFFAOYSA-N -1 0 340.242 3.867 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1cccc(COCC2CC2)c1 ZINC000479514913 1040332561 /nfs/dbraw/zinc/33/25/61/1040332561.db2.gz RDHWVECNUGMSOD-UHFFFAOYSA-N -1 0 349.427 3.862 20 0 EHADRM Fc1ccccc1[C@@H]1CC[C@H](N=c2[n-]nc(C(F)(F)F)s2)C1 ZINC000481090165 1040344264 /nfs/dbraw/zinc/34/42/64/1040344264.db2.gz LYMOUOWNETYOFT-BDAKNGLRSA-N -1 0 331.338 3.866 20 0 EHADRM O=C([O-])C[C@@H](Cc1ccccc1)NC(=O)c1sccc1C(F)F ZINC000908228949 1040360348 /nfs/dbraw/zinc/36/03/48/1040360348.db2.gz JLXDJXABPJZRMZ-LLVKDONJSA-N -1 0 339.363 3.502 20 0 EHADRM CSc1ccc(C)c(C(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)c1 ZINC000908247565 1040370165 /nfs/dbraw/zinc/37/01/65/1040370165.db2.gz WUCOLGLDCGUDSY-HNNXBMFYSA-N -1 0 343.448 3.533 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)CC(=O)[O-] ZINC000322238272 1040390467 /nfs/dbraw/zinc/39/04/67/1040390467.db2.gz ZVXOATJXLCUJNL-XQQFMLRXSA-N -1 0 337.382 3.608 20 0 EHADRM CSc1cc(C(=O)NCCCCC2(C(=O)[O-])CCC2)ccc1F ZINC000908337424 1040399896 /nfs/dbraw/zinc/39/98/96/1040399896.db2.gz AMDYLZVJGYGSHH-UHFFFAOYSA-N -1 0 339.432 3.703 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)NCCCCC2(C(=O)[O-])CCC2)cc1 ZINC000908338902 1040400005 /nfs/dbraw/zinc/40/00/05/1040400005.db2.gz QHSKUIBJVQIVBN-INIZCTEOSA-N -1 0 331.456 3.715 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)CCc2c(Cl)cccc2Cl)C1 ZINC000908373017 1040416930 /nfs/dbraw/zinc/41/69/30/1040416930.db2.gz HIGTWMJMAMUEOB-MNOVXSKESA-N -1 0 344.238 3.686 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)/C=C/c2csc(C(F)(F)F)c2)C1 ZINC000908375866 1040420798 /nfs/dbraw/zinc/42/07/98/1040420798.db2.gz FDOPQYBUQGYVOW-PKWPUFSASA-N -1 0 347.358 3.540 20 0 EHADRM CC(C)C[C@@H](C)CC(=O)Nc1ccc(-n2[n-]c(C3CC3)cc2=O)nc1 ZINC000912868222 1040423447 /nfs/dbraw/zinc/42/34/47/1040423447.db2.gz YRLJBMVKSOQZMB-CYBMUJFWSA-N -1 0 342.443 3.595 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C(F)(F)F)cc2)o1 ZINC000908411213 1040437763 /nfs/dbraw/zinc/43/77/63/1040437763.db2.gz ZYHBQFVLQVSOIS-LBPRGKRZSA-N -1 0 341.285 3.553 20 0 EHADRM CCc1ccc(C(=O)N=c2[n-]nc(/C=C\c3ccco3)s2)cc1 ZINC000490278447 1040473296 /nfs/dbraw/zinc/47/32/96/1040473296.db2.gz YRSVYZNXSYRFCW-KTKRTIGZSA-N -1 0 325.393 3.538 20 0 EHADRM CC[C@H](C(=O)Nc1cccc(C(=O)[O-])c1OC)c1ccc(OC)cc1 ZINC000908499577 1040481178 /nfs/dbraw/zinc/48/11/78/1040481178.db2.gz BVOAIALTEHSBAF-AWEZNQCLSA-N -1 0 343.379 3.534 20 0 EHADRM C[C@@H]1CN(C([O-])=Nc2nc(-c3ccccc3)ns2)c2ccccc21 ZINC000555424523 1040569255 /nfs/dbraw/zinc/56/92/55/1040569255.db2.gz HTAYNRFUKURPIF-GFCCVEGCSA-N -1 0 336.420 3.783 20 0 EHADRM CN(C(=O)Nc1nc(C2CCC2)cs1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000908680703 1040570394 /nfs/dbraw/zinc/57/03/94/1040570394.db2.gz ZTZBWNJUZNOMKC-CQSZACIVSA-N -1 0 345.424 3.700 20 0 EHADRM CCC[C@H]1C[C@@H](C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CCO1 ZINC000908686629 1040574613 /nfs/dbraw/zinc/57/46/13/1040574613.db2.gz JZGILQNMXCCNSY-JQWIXIFHSA-N -1 0 325.792 3.572 20 0 EHADRM O=C([O-])CC1(CNC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)CCCCC1 ZINC000553936531 1040591295 /nfs/dbraw/zinc/59/12/95/1040591295.db2.gz WJYSSPIUGKTWMI-LSDHHAIUSA-N -1 0 349.858 3.985 20 0 EHADRM CCOc1ccc(F)c([N-]c2nc(C)ns2)c1Br ZINC001211754072 1040592290 /nfs/dbraw/zinc/59/22/90/1040592290.db2.gz DTIMHPJFRUHZFO-UHFFFAOYSA-N -1 0 332.198 3.890 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)N=c1[n-]nc(CC(C)C)s1)C1CC1 ZINC000490571856 1040600958 /nfs/dbraw/zinc/60/09/58/1040600958.db2.gz VNQQDSNKMXNXBU-MRXNPFEDSA-N -1 0 344.484 3.740 20 0 EHADRM Cc1ncc(-c2ccc(NC(=O)C34CCC(C(=O)[O-])(CC3)C4)cc2)o1 ZINC000908709431 1040604461 /nfs/dbraw/zinc/60/44/61/1040604461.db2.gz JZQMGQLZFIFHPJ-UHFFFAOYSA-N -1 0 340.379 3.624 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000908788304 1040649693 /nfs/dbraw/zinc/64/96/93/1040649693.db2.gz YYBVSVVAMSXQPQ-SJORKVTESA-N -1 0 328.412 3.578 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)NCc2coc3ccccc23)s1 ZINC000512741816 1040739030 /nfs/dbraw/zinc/73/90/30/1040739030.db2.gz ZZNDNMXKTXDSSS-UHFFFAOYSA-N -1 0 344.440 3.761 20 0 EHADRM O=C(Nc1ccccc1-c1nn[nH]n1)c1ccc(C2CCCC2)cc1 ZINC000913358343 1040757527 /nfs/dbraw/zinc/75/75/27/1040757527.db2.gz ZYGNJQRPWRAZDR-UHFFFAOYSA-N -1 0 333.395 3.777 20 0 EHADRM Cc1cccc(N=c2[n-]nc(SCCc3cscn3)s2)c1 ZINC000487178362 1040766222 /nfs/dbraw/zinc/76/62/22/1040766222.db2.gz UKEDQWHXHYTZQA-UHFFFAOYSA-N -1 0 334.495 3.803 20 0 EHADRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2C)nn1C1CCCCC1 ZINC000909083135 1040791387 /nfs/dbraw/zinc/79/13/87/1040791387.db2.gz INXMAZMCZMQCMF-UHFFFAOYSA-N -1 0 341.411 3.956 20 0 EHADRM CC1(C)CCC[C@@H]1C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000909138343 1040840517 /nfs/dbraw/zinc/84/05/17/1040840517.db2.gz XUSUYWMHNOUUMP-OAHLLOKOSA-N -1 0 340.423 3.577 20 0 EHADRM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000909271479 1040894001 /nfs/dbraw/zinc/89/40/01/1040894001.db2.gz HCIIREIQEZCKLT-QMMMGPOBSA-N -1 0 335.791 3.510 20 0 EHADRM Cc1noc(C)c1C(C)(C)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000909272765 1040894164 /nfs/dbraw/zinc/89/41/64/1040894164.db2.gz SWSVBWRUCGHGAG-UHFFFAOYSA-N -1 0 336.775 3.559 20 0 EHADRM CSc1ccccc1CC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000909297302 1040913942 /nfs/dbraw/zinc/91/39/42/1040913942.db2.gz OQNSNOVJSZADEZ-UHFFFAOYSA-N -1 0 343.448 3.952 20 0 EHADRM CC[C@@H](CN(CC)C(=O)N=c1ncn(C(C)(C)C)[n-]1)c1ccccc1 ZINC000481488872 1040963097 /nfs/dbraw/zinc/96/30/97/1040963097.db2.gz GNNSLYGOJDDIIL-HNNXBMFYSA-N -1 0 343.475 3.503 20 0 EHADRM CN(CC1(c2ccccc2)CC1)C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000909728382 1040970364 /nfs/dbraw/zinc/97/03/64/1040970364.db2.gz IQKNQVIORULGQZ-UHFFFAOYSA-N -1 0 341.451 3.602 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)N=c1nn[n-]n1-c1ccc(C)cc1 ZINC000614310066 1041001200 /nfs/dbraw/zinc/00/12/00/1041001200.db2.gz VQPGQIAJRBBUPE-AWEZNQCLSA-N -1 0 333.395 3.620 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2ccn(C3CCCCC3)n2)c1 ZINC000909832224 1041029539 /nfs/dbraw/zinc/02/95/39/1041029539.db2.gz QRFQAHZZTNZGMG-CYBMUJFWSA-N -1 0 341.411 3.829 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)CCC[C@H](O)c2ccccc2)cc1 ZINC000909836174 1041034909 /nfs/dbraw/zinc/03/49/09/1041034909.db2.gz MMFNOFIFBBXJAH-KDOFPFPSSA-N -1 0 341.407 3.717 20 0 EHADRM C[C@@H]1CCCC[C@H]1NC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000555723881 1041046288 /nfs/dbraw/zinc/04/62/88/1041046288.db2.gz ZHDHEAWGIRONDT-IUODEOHRSA-N -1 0 338.835 3.515 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cccc(-c2ccoc2)c1 ZINC000555736738 1041058837 /nfs/dbraw/zinc/05/88/37/1041058837.db2.gz HWVSUEFBZFJTKQ-KRWDZBQOSA-N -1 0 327.380 3.806 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)CCCSC(C)(C)C)n1 ZINC000909952069 1041078143 /nfs/dbraw/zinc/07/81/43/1041078143.db2.gz DHNLFMQANUBYCX-GFCCVEGCSA-N -1 0 341.477 3.559 20 0 EHADRM CCSc1cccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C(=O)[O-])c1 ZINC000899769381 1041080688 /nfs/dbraw/zinc/08/06/88/1041080688.db2.gz BIKBPUJKAOOSCJ-XHUUTOEUSA-N -1 0 331.437 3.650 20 0 EHADRM Cc1ccnc(-c2ccc(NC(=O)[C@@H](CC(=O)[O-])CC(C)C)cc2)n1 ZINC000899769699 1041083377 /nfs/dbraw/zinc/08/33/77/1041083377.db2.gz GLUGLXXIYJSYJW-OAHLLOKOSA-N -1 0 341.411 3.528 20 0 EHADRM Cc1ccc([C@@H](CC(=O)Nc2cc(C)c(O)c(C)c2C)C(=O)[O-])cc1 ZINC000899781628 1041105862 /nfs/dbraw/zinc/10/58/62/1041105862.db2.gz PHQHQLNODNFLNL-MRXNPFEDSA-N -1 0 341.407 3.823 20 0 EHADRM COc1cc(C)c(NC(=O)C[C@H](C(=O)[O-])c2ccc(C)cc2)cc1F ZINC000899782038 1041106016 /nfs/dbraw/zinc/10/60/16/1041106016.db2.gz QNLAQXRRDUDZJX-AWEZNQCLSA-N -1 0 345.370 3.648 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccccc2-c2ccccc2)C[C@H]1C(=O)[O-] ZINC000570964577 1041127607 /nfs/dbraw/zinc/12/76/07/1041127607.db2.gz XEGZUKUKOLCECV-WMLDXEAASA-N -1 0 338.407 3.928 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)[C@@H](c1cccnc1)C1CCCCC1 ZINC000909998554 1041133018 /nfs/dbraw/zinc/13/30/18/1041133018.db2.gz GWGIPFRNGUYAJF-QKLQHJQFSA-N -1 0 344.455 3.505 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N2CC[C@H](c3ccccc3)C2)C(=O)[O-])cc1 ZINC000899798420 1041133690 /nfs/dbraw/zinc/13/36/90/1041133690.db2.gz JWGWAPIPKIBEJC-RBUKOAKNSA-N -1 0 337.419 3.569 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N2CCC[C@H]2c2cccs2)C(=O)[O-])cc1 ZINC000899796841 1041148991 /nfs/dbraw/zinc/14/89/91/1041148991.db2.gz RILKSNQYLAZYSF-CVEARBPZSA-N -1 0 343.448 3.979 20 0 EHADRM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccn(CCC(C)C)n1 ZINC000481617345 1041150988 /nfs/dbraw/zinc/15/09/88/1041150988.db2.gz RDWUKQXIDRIAOS-UHFFFAOYSA-N -1 0 341.864 3.692 20 0 EHADRM COc1cccc([C@H]2C[C@H](N(C)C(=O)[C@@H](CC(=O)[O-])CC(C)C)C2)c1 ZINC000899828559 1041185523 /nfs/dbraw/zinc/18/55/23/1041185523.db2.gz SXYLMOQTXZCLDU-BRWVUGGUSA-N -1 0 347.455 3.537 20 0 EHADRM CC(C)c1ccc(C(=O)N2[C@@H](C(=O)[O-])CC[C@H]2c2ccccc2)cn1 ZINC000910099799 1041190716 /nfs/dbraw/zinc/19/07/16/1041190716.db2.gz SWEHATCMQDGMOQ-ZWKOTPCHSA-N -1 0 338.407 3.636 20 0 EHADRM CCN(C(=O)C[C@H](C(=O)[O-])c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000899831778 1041192363 /nfs/dbraw/zinc/19/23/63/1041192363.db2.gz YWKLOOCDTSSTAT-SFHVURJKSA-N -1 0 341.407 3.615 20 0 EHADRM O=C([O-])[C@@H](F)C1CN(C(=O)c2cc3sc4ccccc4c3s2)C1 ZINC000910133933 1041198759 /nfs/dbraw/zinc/19/87/59/1041198759.db2.gz HEKYYSXBNDJSCG-ZDUSSCGKSA-N -1 0 349.408 3.611 20 0 EHADRM CC(C)CN(Cc1cccc(Cl)c1)C(=O)c1ccoc1CC(=O)[O-] ZINC000910171012 1041214227 /nfs/dbraw/zinc/21/42/27/1041214227.db2.gz SIELARZIRKLNRD-UHFFFAOYSA-N -1 0 349.814 3.859 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)CC1(CC(=O)[O-])CCC1)C(C)(C)C ZINC000899853537 1041214739 /nfs/dbraw/zinc/21/47/39/1041214739.db2.gz XECLNDVZLXZAFW-QGZVFWFLSA-N -1 0 332.444 3.629 20 0 EHADRM O=S(=O)(Cc1c(Cl)cccc1Cl)c1nc2ccccc2[n-]1 ZINC000512915238 1041249922 /nfs/dbraw/zinc/24/99/22/1041249922.db2.gz QRPUHFVVRKXCAF-UHFFFAOYSA-N -1 0 341.219 3.844 20 0 EHADRM CCO[C@@H](CC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1)C1=CCCC1 ZINC000432004086 1041462653 /nfs/dbraw/zinc/46/26/53/1041462653.db2.gz XBRGQOQTYDRUNR-KSSFIOAISA-N -1 0 345.439 3.794 20 0 EHADRM COCCCOc1cc(C)ccc1CN=c1[n-]nc(C(C)(C)C)s1 ZINC000432080460 1041561872 /nfs/dbraw/zinc/56/18/72/1041561872.db2.gz VBUNBBMGTBXYDN-UHFFFAOYSA-N -1 0 349.500 3.593 20 0 EHADRM O=S(=O)([N-]c1cccnc1Oc1ccccc1)c1ccccc1 ZINC000047211861 1041577148 /nfs/dbraw/zinc/57/71/48/1041577148.db2.gz CJTIYRRNAMMELV-UHFFFAOYSA-N -1 0 326.377 3.675 20 0 EHADRM C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CCc2ccc(Cl)cc21 ZINC000652092358 1041591959 /nfs/dbraw/zinc/59/19/59/1041591959.db2.gz KGANPPZCTWILJB-YUELXQCFSA-N -1 0 349.858 3.719 20 0 EHADRM C[C@H](NC(=O)C1(C(=O)[O-])CC1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000432105118 1041599788 /nfs/dbraw/zinc/59/97/88/1041599788.db2.gz CRZYUXFDQFTNFL-LBPRGKRZSA-N -1 0 327.355 3.535 20 0 EHADRM Cc1ccc(C)c(C(=O)NCC(C)(C)c2ccccc2)c1C(=O)[O-] ZINC000392361718 1041623334 /nfs/dbraw/zinc/62/33/34/1041623334.db2.gz BWTCHJSYTGARIY-UHFFFAOYSA-N -1 0 325.408 3.709 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000432130796 1041627894 /nfs/dbraw/zinc/62/78/94/1041627894.db2.gz SYAYWPPHWZDQBE-SYNHAJSKSA-N -1 0 331.456 3.795 20 0 EHADRM C[C@@]1(NC(=O)CCc2cc3ccccc3o2)CCCC[C@@H]1C(=O)[O-] ZINC000432133481 1041632927 /nfs/dbraw/zinc/63/29/27/1041632927.db2.gz MRRQNVOBNBXVGN-DNVCBOLYSA-N -1 0 329.396 3.515 20 0 EHADRM O=C(Nc1nc2c(s1)CSCC2)c1ccc2[n-]c(=S)oc2c1 ZINC000367716061 1041807248 /nfs/dbraw/zinc/80/72/48/1041807248.db2.gz NHVRSNMMDYNOSY-UHFFFAOYSA-N -1 0 349.462 3.615 20 0 EHADRM Cc1cc(NC(=O)c2ccc(F)cc2[O-])ccc1OC1CCOCC1 ZINC000123887016 1041909034 /nfs/dbraw/zinc/90/90/34/1041909034.db2.gz COCUJQFGNYWJDS-UHFFFAOYSA-N -1 0 345.370 3.650 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(c2ncc(Cl)cc2Br)C1 ZINC000662887768 1042190470 /nfs/dbraw/zinc/19/04/70/1042190470.db2.gz QGPGSDXPIMDAKX-VIFPVBQESA-N -1 0 347.640 3.579 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1c1nc2cc(Cl)cc(Cl)c2o1 ZINC000662894994 1042204347 /nfs/dbraw/zinc/20/43/47/1042204347.db2.gz XKRVKXOHAYNIRS-SFYZADRCSA-N -1 0 329.183 3.824 20 0 EHADRM COc1ccc([C@H](C)NC(=O)c2cc(F)c([O-])c(Cl)c2)cc1F ZINC000184194809 1042230007 /nfs/dbraw/zinc/23/00/07/1042230007.db2.gz QANZLAYJUKEQGS-QMMMGPOBSA-N -1 0 341.741 3.823 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1ccc(C2CC2)nc1C ZINC000909375623 1042312976 /nfs/dbraw/zinc/31/29/76/1042312976.db2.gz KWDIZBFJMPVMAC-GOSISDBHSA-N -1 0 338.407 3.522 20 0 EHADRM CC(C)Sc1ccc([C@H](C)NC(=O)C2(C(=O)[O-])CC=CC2)cc1 ZINC000663033991 1042367055 /nfs/dbraw/zinc/36/70/55/1042367055.db2.gz OBQRVXOUJANAHG-ZDUSSCGKSA-N -1 0 333.453 3.785 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)ccc1Oc1ccncc1 ZINC000663052683 1042397918 /nfs/dbraw/zinc/39/79/18/1042397918.db2.gz VPCHHCRBPNJNBA-INIZCTEOSA-N -1 0 342.395 3.868 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(Cl)cc2ccccc21 ZINC000663056832 1042403162 /nfs/dbraw/zinc/40/31/62/1042403162.db2.gz ORPNCLQNTVSBKY-AAEUAGOBSA-N -1 0 331.799 3.819 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc(COCC3CC3)c2)CCCCCC1 ZINC000663074682 1042424349 /nfs/dbraw/zinc/42/43/49/1042424349.db2.gz FZEHHLOHADUIHD-UHFFFAOYSA-N -1 0 345.439 3.977 20 0 EHADRM C[N@H+](CCOc1ccc(Cl)cc1)Cc1ccsc1C(=O)[O-] ZINC000652375113 1042429737 /nfs/dbraw/zinc/42/97/37/1042429737.db2.gz IYCWXULVGVFHND-UHFFFAOYSA-N -1 0 325.817 3.611 20 0 EHADRM CN(C)Cc1ccc(NC(=O)c2cc(F)cc(F)c2[O-])cc1Cl ZINC001626588593 1042439400 /nfs/dbraw/zinc/43/94/00/1042439400.db2.gz YBLUSYUJYDYFLV-UHFFFAOYSA-N -1 0 340.757 3.638 20 0 EHADRM CN(C(=O)N=c1[n-]nc(/C=C/c2ccco2)s1)[C@H]1CCC(C)(C)C1 ZINC000432263616 1042443185 /nfs/dbraw/zinc/44/31/85/1042443185.db2.gz IAUBUUXNHZKKTN-SYTKJHMZSA-N -1 0 346.456 3.766 20 0 EHADRM C[C@H]1CC(C)(C)C[N@@H+]1Cc1c(Br)cccc1C(=O)[O-] ZINC000652418594 1042467002 /nfs/dbraw/zinc/46/70/02/1042467002.db2.gz ALTRKNCJISVFCX-JTQLQIEISA-N -1 0 326.234 3.768 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2cccc3c2ccn3C(F)F)CC=CCC1 ZINC000663126549 1042475743 /nfs/dbraw/zinc/47/57/43/1042475743.db2.gz WAJBKUVALMZNBD-KRWDZBQOSA-N -1 0 334.322 3.786 20 0 EHADRM COc1cc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)ccc1Cl ZINC000652470220 1042493260 /nfs/dbraw/zinc/49/32/60/1042493260.db2.gz QXAPTJWWHALKFM-HNNXBMFYSA-N -1 0 331.799 3.533 20 0 EHADRM O=C([O-])[C@@H]1CN(Cc2csc(C3CCCC3)n2)Cc2ccccc21 ZINC000652471019 1042494442 /nfs/dbraw/zinc/49/44/42/1042494442.db2.gz QHXWTJZCWCHPOI-QGZVFWFLSA-N -1 0 342.464 3.985 20 0 EHADRM O=C(NNC(=O)c1ccc2ccccc2n1)c1cc2ccccc2s1 ZINC000027687684 1042512707 /nfs/dbraw/zinc/51/27/07/1042512707.db2.gz CCAYQTWYKRYDOP-UHFFFAOYSA-N -1 0 347.399 3.524 20 0 EHADRM COc1cc(CNC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)ccc1C(=O)[O-] ZINC000249388203 1042537073 /nfs/dbraw/zinc/53/70/73/1042537073.db2.gz XIFFEEDOFNUNDN-OWCLPIDISA-N -1 0 345.439 3.616 20 0 EHADRM C[C@H](CC(=O)c1cccs1)NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184515251 1042572181 /nfs/dbraw/zinc/57/21/81/1042572181.db2.gz SOWANDYMSCNKQK-MRVPVSSYSA-N -1 0 341.791 3.638 20 0 EHADRM C[C@@H](NC(=O)CC1(C(=O)[O-])CCCCCC1)C1CCC(F)CC1 ZINC000663228905 1042574642 /nfs/dbraw/zinc/57/46/42/1042574642.db2.gz HTUYVQFDLOSSBX-WLYUNCDWSA-N -1 0 327.440 3.835 20 0 EHADRM C[C@H](NC(=O)CC1(CC(=O)[O-])CCCCC1)C1CCC(F)CC1 ZINC000663229782 1042575201 /nfs/dbraw/zinc/57/52/01/1042575201.db2.gz OZISBSKGMMTBLH-NFOMZHRRSA-N -1 0 327.440 3.835 20 0 EHADRM C[C@H](NC(=O)CC1(CC(=O)[O-])CCCC1)c1ccc2c(c1)CCCO2 ZINC000663230476 1042578448 /nfs/dbraw/zinc/57/84/48/1042578448.db2.gz YQZQMKAAPFIKLR-AWEZNQCLSA-N -1 0 345.439 3.614 20 0 EHADRM CC1(C)CCN(C(=O)CCc2ccccc2C(=O)[O-])CC(C)(C)C1 ZINC000659192490 1042623702 /nfs/dbraw/zinc/62/37/02/1042623702.db2.gz XBIZPQBNFWPLCK-UHFFFAOYSA-N -1 0 331.456 3.992 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCO[C@@H](CCc2ccccc2)C1 ZINC000185565243 1042635490 /nfs/dbraw/zinc/63/54/90/1042635490.db2.gz UCKADXGCALQUMQ-INIZCTEOSA-N -1 0 345.826 3.519 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000185811670 1042641395 /nfs/dbraw/zinc/64/13/95/1042641395.db2.gz QJMKLZQHWJKESX-LLVKDONJSA-N -1 0 327.767 3.766 20 0 EHADRM CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000186646242 1042679959 /nfs/dbraw/zinc/67/99/59/1042679959.db2.gz UITUUVQYPVBJPK-UHFFFAOYSA-N -1 0 345.267 3.961 20 0 EHADRM C[C@H](NC(=O)c1cc(F)c([O-])c(F)c1)c1c(F)cccc1Cl ZINC000186848561 1042714234 /nfs/dbraw/zinc/71/42/34/1042714234.db2.gz DTWGIVNMIDYDHE-ZETCQYMHSA-N -1 0 329.705 3.954 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)Nc1cc(Cl)ccc1Cl)C1CCC1 ZINC000663337510 1042718781 /nfs/dbraw/zinc/71/87/81/1042718781.db2.gz BMZPXNPVZGNHFO-JTQLQIEISA-N -1 0 331.199 3.616 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)NCC1(C(=O)[O-])CCC1 ZINC000663341945 1042724361 /nfs/dbraw/zinc/72/43/61/1042724361.db2.gz UKDIRJZPUATINE-UHFFFAOYSA-N -1 0 338.835 3.841 20 0 EHADRM FC(F)c1n[n-]c(=NCc2ccc(-c3ccc4c(c3)CCO4)cc2)o1 ZINC000432317439 1042824856 /nfs/dbraw/zinc/82/48/56/1042824856.db2.gz IOXFXDKJHPBZSS-UHFFFAOYSA-N -1 0 343.333 3.643 20 0 EHADRM Cc1ccc(CCCC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)s1 ZINC000653331074 1042868062 /nfs/dbraw/zinc/86/80/62/1042868062.db2.gz MPDQUHHTVQJHIP-DLBZAZTESA-N -1 0 343.448 3.809 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1C(=O)Nc1ccccc1SC(F)(F)F ZINC000317251867 1042970294 /nfs/dbraw/zinc/97/02/94/1042970294.db2.gz GHYJLKVLWIIFIM-DTWKUNHWSA-N -1 0 333.331 3.738 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)CCCc2cccs2)c2ccccc21 ZINC000653333207 1042983950 /nfs/dbraw/zinc/98/39/50/1042983950.db2.gz MIFWHACPWUPQJT-HOTGVXAUSA-N -1 0 329.421 3.500 20 0 EHADRM Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000000235175 1042990478 /nfs/dbraw/zinc/99/04/78/1042990478.db2.gz ZGPMRUWCIUABCN-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM CCCCn1ncc(NC(=O)c2ccc3[nH][nH]c(=O)c3c2)c1C(C)C ZINC000613946637 1043030813 /nfs/dbraw/zinc/03/08/13/1043030813.db2.gz ZHFGNNMSUJGNPT-UHFFFAOYSA-N -1 0 341.415 3.641 20 0 EHADRM FC(F)(F)c1n[n-]c(=NCc2csc(Cl)c2Cl)s1 ZINC000432425012 1043167830 /nfs/dbraw/zinc/16/78/30/1043167830.db2.gz SMZLZJKWDYYNRC-UHFFFAOYSA-N -1 0 334.175 3.959 20 0 EHADRM CC1=C[C@H](C)CN(C(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)C1 ZINC000432434623 1043216741 /nfs/dbraw/zinc/21/67/41/1043216741.db2.gz NTTFBLXKHPPFTJ-JTQLQIEISA-N -1 0 348.859 3.710 20 0 EHADRM CCc1ccc([N+](=O)[O-])cc1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000326595331 1043444065 /nfs/dbraw/zinc/44/40/65/1043444065.db2.gz DRWQNOWBJGPUSQ-UHFFFAOYSA-N -1 0 334.372 3.521 20 0 EHADRM O=S(=O)([N-]c1cc(-c2cc3ccccc3s2)[nH]n1)c1ccco1 ZINC000432481335 1043446006 /nfs/dbraw/zinc/44/60/06/1043446006.db2.gz WFHZXVHLTUAJKA-UHFFFAOYSA-N -1 0 345.405 3.685 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2cc(Cl)nc(Cl)c2)c1 ZINC000318828455 1043806804 /nfs/dbraw/zinc/80/68/04/1043806804.db2.gz GGMVBWYLPQDBQI-UHFFFAOYSA-N -1 0 339.178 3.658 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc(Cl)sc1Cl ZINC000261599876 1044493299 /nfs/dbraw/zinc/49/32/99/1044493299.db2.gz VOXCTUFMLKPZLD-QNSHHTMESA-N -1 0 348.251 3.913 20 0 EHADRM CC(C)Sc1ccc(C(=O)Nc2nc(CC(=O)[O-])cs2)cc1 ZINC000236631241 1044549295 /nfs/dbraw/zinc/54/92/95/1044549295.db2.gz QQJGRNRNCPZYGC-UHFFFAOYSA-N -1 0 336.438 3.523 20 0 EHADRM O=C(N[C@H]1CCOC2(CCCCC2)C1)c1cc(F)cc(Cl)c1[O-] ZINC000123951574 1044871651 /nfs/dbraw/zinc/87/16/51/1044871651.db2.gz CFROEVNIWMWRNO-LBPRGKRZSA-N -1 0 341.810 3.796 20 0 EHADRM CCS[C@H]1CCC[C@@H]1Nc1ncnc2sc(C(=O)[O-])c(C)c21 ZINC000318790432 1044872352 /nfs/dbraw/zinc/87/23/52/1044872352.db2.gz FUFHUCPMQVFENI-UWVGGRQHSA-N -1 0 337.470 3.784 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1ccc(O)cc1F)c1nc2ccccc2[nH]1 ZINC000154861611 1125761575 /nfs/dbraw/zinc/76/15/75/1125761575.db2.gz JTSGBNIHUUCTHA-QGZVFWFLSA-N -1 0 341.386 3.925 20 0 EHADRM CCn1ccc(CC(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)n1 ZINC000622481344 1126705899 /nfs/dbraw/zinc/70/58/99/1126705899.db2.gz PPLBNMDDKAWROS-UHFFFAOYSA-N -1 0 348.617 3.750 20 0 EHADRM O=C(NCc1ccnc(C(F)(F)F)c1)c1cc(F)c([O-])c(Cl)c1 ZINC000622638989 1126738590 /nfs/dbraw/zinc/73/85/90/1126738590.db2.gz WHOVSBRAYUONTC-UHFFFAOYSA-N -1 0 348.683 3.529 20 0 EHADRM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2cccc(Cl)c2[O-])cc1 ZINC000172108823 1126781158 /nfs/dbraw/zinc/78/11/58/1126781158.db2.gz PRDIQPURYZDGJI-MFKMUULPSA-N -1 0 344.798 3.892 20 0 EHADRM CC(C)(C(=O)[N-]OCc1ccc(Cl)cc1C#N)c1ccccc1 ZINC000185366632 1126879036 /nfs/dbraw/zinc/87/90/36/1126879036.db2.gz IIHKRWMAASRUQJ-UHFFFAOYSA-N -1 0 328.799 3.737 20 0 EHADRM O=C(Nc1cc(Cl)cc(Br)c1[O-])[C@@H]1C[C@H]1C1CC1 ZINC000176253954 1126908761 /nfs/dbraw/zinc/90/87/61/1126908761.db2.gz YLUSAMVIOYSIEC-DTWKUNHWSA-N -1 0 330.609 3.793 20 0 EHADRM N#CCOc1cccc(NC(=O)c2ccc3[n-]c(=S)oc3c2)c1 ZINC000072971366 1126959280 /nfs/dbraw/zinc/95/92/80/1126959280.db2.gz GWXOFNXGHUZYDW-UHFFFAOYSA-N -1 0 325.349 3.645 20 0 EHADRM Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000181786509 1127296927 /nfs/dbraw/zinc/29/69/27/1127296927.db2.gz IACRKQCZWSVSMD-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nccc3sccc32)c(F)cc1F ZINC000182021843 1127308920 /nfs/dbraw/zinc/30/89/20/1127308920.db2.gz NFLZXYKOCDBVRU-UHFFFAOYSA-N -1 0 340.376 3.684 20 0 EHADRM Cc1cccc(O)c1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000182469520 1127331046 /nfs/dbraw/zinc/33/10/46/1127331046.db2.gz YBSUUEDGMFIGJD-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM Cc1cccc(O)c1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000182471911 1127331510 /nfs/dbraw/zinc/33/15/10/1127331510.db2.gz NCVZDVLWMUJVIH-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM O=C(NCC1(c2ccc(F)cc2)CCC1)c1c([O-])cc(F)cc1F ZINC000624248732 1127336882 /nfs/dbraw/zinc/33/68/82/1127336882.db2.gz YASCHWAHLNKKFG-UHFFFAOYSA-N -1 0 335.325 3.661 20 0 EHADRM O=C(NCCCc1ccc(Cl)cc1)c1c([O-])cc(F)cc1F ZINC000624248713 1127337012 /nfs/dbraw/zinc/33/70/12/1127337012.db2.gz NCRVKCJUCKSFEV-UHFFFAOYSA-N -1 0 325.742 3.686 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2C)c(C)o1 ZINC000182772987 1127346984 /nfs/dbraw/zinc/34/69/84/1127346984.db2.gz HLQYSHZNDVHGDX-UHFFFAOYSA-N -1 0 344.230 3.768 20 0 EHADRM O=C([O-])c1ccccc1OCCN(Cc1ccc(F)cc1F)C1CC1 ZINC000183913869 1127389338 /nfs/dbraw/zinc/38/93/38/1127389338.db2.gz OCRUCCZWHFLOSD-UHFFFAOYSA-N -1 0 347.361 3.706 20 0 EHADRM CCC[C@H](Cc1ccccc1)NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000185799590 1127432055 /nfs/dbraw/zinc/43/20/55/1127432055.db2.gz JDZCFOYATXASRH-GFCCVEGCSA-N -1 0 337.341 3.951 20 0 EHADRM Cc1noc(C(C)C)c1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000901762452 1127434957 /nfs/dbraw/zinc/43/49/57/1127434957.db2.gz OMAVXFWDCCYNMT-UHFFFAOYSA-N -1 0 332.784 3.700 20 0 EHADRM Cc1noc(C(C)C)c1[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000901765093 1127439193 /nfs/dbraw/zinc/43/91/93/1127439193.db2.gz VFAOSAXKKWBDDM-UHFFFAOYSA-N -1 0 349.387 3.595 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1nnc(CC2CCCCC2)o1 ZINC000194896575 1127469380 /nfs/dbraw/zinc/46/93/80/1127469380.db2.gz MEWNYJHPUWWYGR-UHFFFAOYSA-N -1 0 349.456 3.556 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2nnc(CC3CCCC3)o2)c1 ZINC000194901791 1127469591 /nfs/dbraw/zinc/46/95/91/1127469591.db2.gz JFJJFUKCLXKTIY-UHFFFAOYSA-N -1 0 349.456 3.727 20 0 EHADRM CC[C@H](C(=O)[N-]S(=O)(=O)/C=C\c1ccccc1)C1CCC(C)CC1 ZINC000764754017 1127528814 /nfs/dbraw/zinc/52/88/14/1127528814.db2.gz MHAVYMYNBPZHDE-WRLCRCHMSA-N -1 0 349.496 3.956 20 0 EHADRM CC[C@@H](C(=O)[N-]S(=O)(=O)c1cc(C)oc1C)C1CCC(C)CC1 ZINC000764787363 1127536504 /nfs/dbraw/zinc/53/65/04/1127536504.db2.gz BTRRMZZWDXGIAO-WDIPEOLASA-N -1 0 341.473 3.554 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)cc1 ZINC000024425251 1127705764 /nfs/dbraw/zinc/70/57/64/1127705764.db2.gz ACBORAUDTADOPU-UHFFFAOYSA-N -1 0 329.425 3.661 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1ccc(OC[C@H]2CCCO2)cc1 ZINC000172110485 1127747603 /nfs/dbraw/zinc/74/76/03/1127747603.db2.gz SYQWQMSCIMBQBC-CQSZACIVSA-N -1 0 347.798 3.856 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)on2)cc1Cl ZINC000033933514 1127867386 /nfs/dbraw/zinc/86/73/86/1127867386.db2.gz VODJLWGKCGAEIH-UHFFFAOYSA-N -1 0 328.821 3.735 20 0 EHADRM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)/N=c1\[n-]nc2ccccn21 ZINC000077703245 1127877153 /nfs/dbraw/zinc/87/71/53/1127877153.db2.gz CJIAADXTXGBVSQ-OAHLLOKOSA-N -1 0 349.438 3.546 20 0 EHADRM Cc1ccc(-c2cc(C(=O)[N-]c3nnc(CC(C)C)s3)on2)cc1 ZINC000041760011 1127878197 /nfs/dbraw/zinc/87/81/97/1127878197.db2.gz DPRXRANNWHUKJC-UHFFFAOYSA-N -1 0 342.424 3.952 20 0 EHADRM CC(C)COc1cccc(CN=c2[n-]nc(C3CCOCC3)s2)c1 ZINC000338653696 1127991649 /nfs/dbraw/zinc/99/16/49/1127991649.db2.gz CIAPJGWPOQAICL-UHFFFAOYSA-N -1 0 347.484 3.501 20 0 EHADRM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2ccccc2OC)c1 ZINC000057126246 1128037730 /nfs/dbraw/zinc/03/77/30/1128037730.db2.gz MNTRFESIKJXSCH-CYBMUJFWSA-N -1 0 335.425 3.673 20 0 EHADRM CC[C@@H](C[N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1ccccc1 ZINC000060497693 1128104265 /nfs/dbraw/zinc/10/42/65/1128104265.db2.gz MHLIKQAGQKGOGT-NSHDSACASA-N -1 0 343.370 3.576 20 0 EHADRM COC(=O)c1cc(C(C)C)ccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000060839415 1128114616 /nfs/dbraw/zinc/11/46/16/1128114616.db2.gz XNTIKGNFFRMLDJ-UHFFFAOYSA-N -1 0 347.436 3.706 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCOC2(CCCCC2)C1 ZINC000074056093 1128334074 /nfs/dbraw/zinc/33/40/74/1128334074.db2.gz UPFJRBHLBHJYMN-UHFFFAOYSA-N -1 0 332.425 3.666 20 0 EHADRM Cc1cccc([C@@H](N=c2nc(C3CCOCC3)[n-]s2)C(C)C)c1 ZINC000624641222 1128414963 /nfs/dbraw/zinc/41/49/63/1128414963.db2.gz HMVPZXWWDWNKIF-INIZCTEOSA-N -1 0 331.485 3.972 20 0 EHADRM COCc1nc(=N[C@@H]2CCCc3c4cc(Cl)ccc4[nH]c32)s[n-]1 ZINC000624676198 1128425668 /nfs/dbraw/zinc/42/56/68/1128425668.db2.gz WDOLQDBFDGAJFX-CYBMUJFWSA-N -1 0 348.859 3.731 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)s2)c(C)c1 ZINC000473756949 1128453616 /nfs/dbraw/zinc/45/36/16/1128453616.db2.gz PEXUFNJUIRMKIX-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM O=S(=O)([N-]c1ncc(C(F)(F)F)s1)c1cccc(Cl)c1 ZINC000473762470 1128454278 /nfs/dbraw/zinc/45/42/78/1128454278.db2.gz JMJSJQJVCDGASF-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM COc1cnccc1-c1nc(-c2ccc3[n-]c(=S)sc3c2)no1 ZINC001212412862 1128480480 /nfs/dbraw/zinc/48/04/80/1128480480.db2.gz VYJOQZZBMNNMBA-UHFFFAOYSA-N -1 0 342.405 3.706 20 0 EHADRM C[C@H](c1ccccc1)[C@H](C)NC(=O)N=c1ncn(C2CCCCC2)[n-]1 ZINC000542723994 1128562455 /nfs/dbraw/zinc/56/24/55/1128562455.db2.gz UQJMGTFMGXBIHC-GJZGRUSLSA-N -1 0 341.459 3.519 20 0 EHADRM CCN(CC1CC1)C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000542725888 1128563653 /nfs/dbraw/zinc/56/36/53/1128563653.db2.gz CEBKDWYDQCERMI-UHFFFAOYSA-N -1 0 336.848 3.544 20 0 EHADRM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000057753416 1128663911 /nfs/dbraw/zinc/66/39/11/1128663911.db2.gz VHZDPDRCRMSWBI-UHFFFAOYSA-N -1 0 349.268 3.713 20 0 EHADRM C[C@H]1CC[C@@](C)(C[N-]S(=O)(=O)c2c(F)cccc2F)C1(C)C ZINC001212440503 1128803946 /nfs/dbraw/zinc/80/39/46/1128803946.db2.gz WNEODCCWYOVNMT-ZBEGNZNMSA-N -1 0 331.428 3.706 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1ccc(C(F)F)cc1F)CC(=O)[O-] ZINC000656245007 1128833022 /nfs/dbraw/zinc/83/30/22/1128833022.db2.gz WUXHZFKGEUDWKJ-JTQLQIEISA-N -1 0 331.334 3.630 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)N(C)C3CCCCCCC3)cc2=O)cc1 ZINC000172727570 1128868544 /nfs/dbraw/zinc/86/85/44/1128868544.db2.gz QYNCJDYAIVGFLW-UHFFFAOYSA-N -1 0 341.455 3.659 20 0 EHADRM CC(C)c1ccc(S(=O)(=O)[N-]c2cc(C3CCC3)nn2C)cc1 ZINC000128847506 1120037742 /nfs/dbraw/zinc/03/77/42/1120037742.db2.gz ZKEJDXYWEWGKFB-UHFFFAOYSA-N -1 0 333.457 3.612 20 0 EHADRM O=S(=O)(C=C([O-])c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 ZINC000225257601 1120293419 /nfs/dbraw/zinc/29/34/19/1120293419.db2.gz GYQRMIDJVDVQSO-UHFFFAOYSA-N -1 0 346.301 3.501 20 0 EHADRM O=C(Nc1ccc2c(c1)CCC2)c1ccc(Br)cc1[O-] ZINC000110324872 1120333175 /nfs/dbraw/zinc/33/31/75/1120333175.db2.gz BOZZQPRQZWSFCG-UHFFFAOYSA-N -1 0 332.197 3.896 20 0 EHADRM CC[C@@H](NCc1cccc(OC2CCCC2)c1)c1nc(C(=O)[O-])c[nH]1 ZINC000904064793 1120351145 /nfs/dbraw/zinc/35/11/45/1120351145.db2.gz MSSGQRXPJQYUQD-MRXNPFEDSA-N -1 0 343.427 3.670 20 0 EHADRM CCC(=O)c1cccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c1 ZINC000185277081 1120406883 /nfs/dbraw/zinc/40/68/83/1120406883.db2.gz FSVSNZHFWXUNOP-UHFFFAOYSA-N -1 0 346.383 3.701 20 0 EHADRM CSc1cccc(C)c1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000185333972 1120409372 /nfs/dbraw/zinc/40/93/72/1120409372.db2.gz RLLJYFZIXYRNPW-UHFFFAOYSA-N -1 0 329.393 3.796 20 0 EHADRM Cc1occc1S([O-])=CC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000189646851 1120602931 /nfs/dbraw/zinc/60/29/31/1120602931.db2.gz UVUXOOWDGIHUJM-YEBMWUKDSA-N -1 0 341.432 3.726 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccc(C(C)(C)C)cc1 ZINC000914447176 1120756810 /nfs/dbraw/zinc/75/68/10/1120756810.db2.gz JOHQPQDRCQURTD-GFCCVEGCSA-N -1 0 326.396 3.568 20 0 EHADRM O=S(=O)([N-]c1ccc2scnc2c1)c1ccc(Cl)s1 ZINC000195107378 1120765004 /nfs/dbraw/zinc/76/50/04/1120765004.db2.gz ORXCINUYBFJGQO-UHFFFAOYSA-N -1 0 330.843 3.812 20 0 EHADRM CCc1ccccc1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000195439517 1120784171 /nfs/dbraw/zinc/78/41/71/1120784171.db2.gz VQSODDCODCXGHK-UHFFFAOYSA-N -1 0 327.352 3.651 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2ccccc2OC(F)F)c1 ZINC000195438107 1120784266 /nfs/dbraw/zinc/78/42/66/1120784266.db2.gz FHSURDJTANQEIE-UHFFFAOYSA-N -1 0 345.392 3.811 20 0 EHADRM CCCn1c2ccccc2nc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000193921210 1120808303 /nfs/dbraw/zinc/80/83/03/1120808303.db2.gz RFJAOFVAAKFXGS-UHFFFAOYSA-N -1 0 349.312 3.822 20 0 EHADRM CCC[C@H](C)[C@H]1CCCN1C(=O)N=c1[n-]nc(SCC)s1 ZINC000495145752 1120969685 /nfs/dbraw/zinc/96/96/85/1120969685.db2.gz HDMYEYJGTUNXJO-WDEREUQCSA-N -1 0 328.507 3.505 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000262392523 1120981382 /nfs/dbraw/zinc/98/13/82/1120981382.db2.gz NALNZYQRFPVUBR-VKPHEEHNSA-N -1 0 347.842 3.688 20 0 EHADRM CSc1cccc(C)c1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000761977636 1121022240 /nfs/dbraw/zinc/02/22/40/1121022240.db2.gz UNCWVOCWLWRCCM-UHFFFAOYSA-N -1 0 346.836 3.705 20 0 EHADRM CCC(CC)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000762011803 1121055322 /nfs/dbraw/zinc/05/53/22/1121055322.db2.gz FJSNOPUEXPHJAY-ZDUSSCGKSA-N -1 0 333.453 3.717 20 0 EHADRM Cc1cncc(CCC(=O)Nc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000495501984 1121234767 /nfs/dbraw/zinc/23/47/67/1121234767.db2.gz MVVIMSCVFICDOO-UHFFFAOYSA-N -1 0 325.195 3.974 20 0 EHADRM Cc1cc(C)n(-c2ccc(NC(=O)c3cc(F)c([O-])c(F)c3)cc2)n1 ZINC000762558431 1121353562 /nfs/dbraw/zinc/35/35/62/1121353562.db2.gz ZHVLZWBIHMOZAD-UHFFFAOYSA-N -1 0 343.333 3.725 20 0 EHADRM CC[C@H](CC(=O)NCc1ccc(C(=O)[O-])c(OC)c1)c1ccccc1 ZINC000236932503 1121469007 /nfs/dbraw/zinc/46/90/07/1121469007.db2.gz KCIBLDQTVMNRHT-OAHLLOKOSA-N -1 0 341.407 3.594 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CCc1ccccc1Cl ZINC000237025786 1121471797 /nfs/dbraw/zinc/47/17/97/1121471797.db2.gz LXBCKDYRNPKEGJ-UHFFFAOYSA-N -1 0 331.799 3.629 20 0 EHADRM C[C@@H](CC(=O)Nc1ccccc1-n1ccc(C(=O)[O-])n1)c1ccccc1 ZINC000237350889 1121480457 /nfs/dbraw/zinc/48/04/57/1121480457.db2.gz KYWCCGWRWQTALN-AWEZNQCLSA-N -1 0 349.390 3.703 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)/C=C/c1nc2ccccc2s1 ZINC000237992093 1121499966 /nfs/dbraw/zinc/49/99/66/1121499966.db2.gz AXHCBINGGACQJK-WTNCMQEWSA-N -1 0 344.436 3.555 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Cc1ccc(Cl)cc1Cl ZINC000237986274 1121500408 /nfs/dbraw/zinc/50/04/08/1121500408.db2.gz MSPXSKONRRZWTO-CYBMUJFWSA-N -1 0 344.238 3.782 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000238034663 1121500875 /nfs/dbraw/zinc/50/08/75/1121500875.db2.gz CFLJRUBBLCFCGC-MRXNPFEDSA-N -1 0 329.783 3.919 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000238054634 1121501944 /nfs/dbraw/zinc/50/19/44/1121501944.db2.gz DUIXTTNPDKOLFU-QWHCGFSZSA-N -1 0 328.368 3.535 20 0 EHADRM Cc1ccc2cccc([N-]S(=O)(=O)c3cccc4cccnc43)c2n1 ZINC000013818080 1121525596 /nfs/dbraw/zinc/52/55/96/1121525596.db2.gz XBBUGNRAOYNLIU-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)cc1C ZINC000915815357 1121643766 /nfs/dbraw/zinc/64/37/66/1121643766.db2.gz LHNQCTRHIARCRI-UHFFFAOYSA-N -1 0 339.416 3.575 20 0 EHADRM CCCCCc1nnc(NC(=O)c2ccc([O-])c(Cl)c2)s1 ZINC000026557335 1121664366 /nfs/dbraw/zinc/66/43/66/1121664366.db2.gz LDZOSOWILBNULQ-UHFFFAOYSA-N -1 0 325.821 3.882 20 0 EHADRM O=C(Nc1ccc(NC(=O)c2ccc(F)cc2[O-])cc1)c1ccco1 ZINC000123311099 1122011785 /nfs/dbraw/zinc/01/17/85/1122011785.db2.gz YSOQLDKIUHXWME-UHFFFAOYSA-N -1 0 340.310 3.629 20 0 EHADRM CN(Cc1ccccc1OC(F)(F)F)C(=O)c1ccc(F)cc1[O-] ZINC000123341281 1122090853 /nfs/dbraw/zinc/09/08/53/1122090853.db2.gz CZWGXGHMJBSHRA-UHFFFAOYSA-N -1 0 343.276 3.702 20 0 EHADRM Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000037746335 1122237151 /nfs/dbraw/zinc/23/71/51/1122237151.db2.gz PRIXSXKLIOXHDG-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM CC(C)OCCOCc1cccc(NC(=O)c2ccc(F)cc2[O-])c1 ZINC000123557167 1122257038 /nfs/dbraw/zinc/25/70/38/1122257038.db2.gz YGDCEYOZMKOYLP-UHFFFAOYSA-N -1 0 347.386 3.725 20 0 EHADRM CCN(C(=O)c1c([O-])cccc1F)[C@H](C)Cc1ccc(OC)cc1 ZINC000123809379 1122265692 /nfs/dbraw/zinc/26/56/92/1122265692.db2.gz YSBBEILBPQEBGJ-CYBMUJFWSA-N -1 0 331.387 3.633 20 0 EHADRM CCc1cc(=O)[nH]c(CSCc2nc(-c3ccc(C)cc3)no2)n1 ZINC000125698983 1122325394 /nfs/dbraw/zinc/32/53/94/1122325394.db2.gz ITKKIYJXIULUFZ-UHFFFAOYSA-N -1 0 342.424 3.536 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc3cc(Cl)ccc3o2)cc1 ZINC000916752337 1122345580 /nfs/dbraw/zinc/34/55/80/1122345580.db2.gz RYWSCSFZAJHHMN-UHFFFAOYSA-N -1 0 349.795 3.513 20 0 EHADRM CCCCOc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000917760500 1122674720 /nfs/dbraw/zinc/67/47/20/1122674720.db2.gz DLAVOVSJTRXCFR-UHFFFAOYSA-N -1 0 340.832 3.715 20 0 EHADRM O=C([O-])c1ccc2c(c1)[nH]nc2-c1nc2ccc(F)cc2n1C1CC1 ZINC000497841473 1122681032 /nfs/dbraw/zinc/68/10/32/1122681032.db2.gz OZOHAGQUIGNPRA-UHFFFAOYSA-N -1 0 336.326 3.752 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(OCCF)c2)c1 ZINC000498008877 1122729971 /nfs/dbraw/zinc/72/99/71/1122729971.db2.gz ZTBRFRAPQZCFTM-UHFFFAOYSA-N -1 0 343.807 3.798 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@H](CC(=O)[O-])C1)Cc1ccc(Cl)cc1 ZINC000556145104 1122840544 /nfs/dbraw/zinc/84/05/44/1122840544.db2.gz CFHAHLQDWRKMQV-DZGCQCFKSA-N -1 0 337.847 3.622 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CC[C@H](C)C(C)(C)C1)C(=O)[O-] ZINC000262758100 1122847753 /nfs/dbraw/zinc/84/77/53/1122847753.db2.gz KLOMZMSBCVOMSS-STQMWFEESA-N -1 0 335.469 3.760 20 0 EHADRM O=S(=O)([N-]c1ccc(Oc2ccc(F)cc2)nc1)c1ccccc1 ZINC000077956027 1129084091 /nfs/dbraw/zinc/08/40/91/1129084091.db2.gz BCDVLXOVPHMLFD-UHFFFAOYSA-N -1 0 344.367 3.814 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2CCCC(C)(C)C2)c1 ZINC000556219332 1122884854 /nfs/dbraw/zinc/88/48/54/1122884854.db2.gz CSDXQOBMKCOJJP-GDBMZVCRSA-N -1 0 333.428 3.544 20 0 EHADRM Cc1oc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)nc1C1CC1 ZINC000556264976 1122905083 /nfs/dbraw/zinc/90/50/83/1122905083.db2.gz LLXSCUYHPYVHEI-UHFFFAOYSA-N -1 0 347.223 3.968 20 0 EHADRM Cc1c(S(=O)(=O)[N-]c2cc(F)ccc2C)c2ccccc2n1C ZINC000556346182 1122937633 /nfs/dbraw/zinc/93/76/33/1122937633.db2.gz ASGHMSYOBZQSTB-UHFFFAOYSA-N -1 0 332.400 3.735 20 0 EHADRM Cc1ccc(-c2cc(C(=O)OCCO[C@@H]3CCCC[C@H]3C)n[nH]2)o1 ZINC000919328989 1123022228 /nfs/dbraw/zinc/02/22/28/1123022228.db2.gz KDIYHUPGQKBJAG-MLGOLLRUSA-N -1 0 332.400 3.730 20 0 EHADRM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cc(-c2ccncc2)on1 ZINC000130926076 1123023274 /nfs/dbraw/zinc/02/32/74/1123023274.db2.gz YWUIEBJVGUATSX-UHFFFAOYSA-N -1 0 346.346 3.952 20 0 EHADRM CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262870316 1123057757 /nfs/dbraw/zinc/05/77/57/1123057757.db2.gz CTXJQWABVZHAJA-SHTZXODSSA-N -1 0 337.847 3.968 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N[C@@H](CC2CCC2)c2ccccc2)CC1 ZINC000262884341 1123074994 /nfs/dbraw/zinc/07/49/94/1123074994.db2.gz FXTJYVRSOINQFS-BZSNNMDCSA-N -1 0 329.440 3.925 20 0 EHADRM Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)c1s[n-]c(=O)c1Cl ZINC000556689780 1123085345 /nfs/dbraw/zinc/08/53/45/1123085345.db2.gz FIALZGXHTDGBNF-NSHDSACASA-N -1 0 340.807 3.927 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C(C)=O)cn2)cc1 ZINC000131708442 1123169805 /nfs/dbraw/zinc/16/98/05/1123169805.db2.gz UZTAUXGQQJCIQD-LBPRGKRZSA-N -1 0 332.425 3.599 20 0 EHADRM CC(C)(C)c1ncc(C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)s1 ZINC000920219230 1123340028 /nfs/dbraw/zinc/34/00/28/1123340028.db2.gz KFSNMJKXNGFNBU-TWGQIWQCSA-N -1 0 330.409 3.791 20 0 EHADRM CN1CCCc2cc([N-]S(=O)(=O)c3ccc(Cl)s3)ccc21 ZINC000920756986 1123420808 /nfs/dbraw/zinc/42/08/08/1123420808.db2.gz KLLHLVFEEUGXLP-UHFFFAOYSA-N -1 0 342.873 3.585 20 0 EHADRM C[C@H]1CCCC[C@H]1CC(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000920789339 1123423718 /nfs/dbraw/zinc/42/37/18/1123423718.db2.gz OAARLOJPTZOZAJ-HOCLYGCPSA-N -1 0 345.464 3.861 20 0 EHADRM C[C@@H]1CCCC[C@H]1CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000920797180 1123424460 /nfs/dbraw/zinc/42/44/60/1123424460.db2.gz SFNPSHTXVBXXOI-MNOVXSKESA-N -1 0 347.839 3.500 20 0 EHADRM Cc1ccc(C(C)(C)C(=O)N2CCc3cccc(C(=O)[O-])c3C2)cc1 ZINC000649258029 1123461637 /nfs/dbraw/zinc/46/16/37/1123461637.db2.gz FBVSEWLBMUHXHX-UHFFFAOYSA-N -1 0 337.419 3.556 20 0 EHADRM CC(C)(CC(=O)N1CCc2cccc(C(=O)[O-])c2C1)c1ccccc1 ZINC000649258082 1123461750 /nfs/dbraw/zinc/46/17/50/1123461750.db2.gz HIBIHTXUAXNZJP-UHFFFAOYSA-N -1 0 337.419 3.637 20 0 EHADRM Cc1ccc(CCCC(=O)N2CCc3cccc(C(=O)[O-])c3C2)s1 ZINC000649258047 1123461910 /nfs/dbraw/zinc/46/19/10/1123461910.db2.gz GBYXOUZAZGTJHC-UHFFFAOYSA-N -1 0 343.448 3.662 20 0 EHADRM O=C(N[C@H](c1ccccc1)c1ccncc1)c1c([O-])cc(F)cc1F ZINC000066043793 1129125705 /nfs/dbraw/zinc/12/57/05/1129125705.db2.gz QNRQEERGBJTQOC-GOSISDBHSA-N -1 0 340.329 3.585 20 0 EHADRM C[C@@H]1CCC[C@H](CC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)C1 ZINC000237607051 1123527394 /nfs/dbraw/zinc/52/73/94/1123527394.db2.gz OTSXPPUSCCZPKW-NEPJUHHUSA-N -1 0 339.819 3.958 20 0 EHADRM O=C(Nc1ccc(-c2ccccc2)cn1)c1c([O-])cc(F)cc1F ZINC000066048312 1129127668 /nfs/dbraw/zinc/12/76/68/1129127668.db2.gz QDUOKRWDGZLYRV-UHFFFAOYSA-N -1 0 326.302 3.985 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)cc1C(=O)[O-] ZINC000237933564 1123550895 /nfs/dbraw/zinc/55/08/95/1123550895.db2.gz PJNFXAMQHZHQJD-RXVVDRJESA-N -1 0 335.403 3.926 20 0 EHADRM O=C([O-])c1cccc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2Cl)c1 ZINC000238224770 1123571259 /nfs/dbraw/zinc/57/12/59/1123571259.db2.gz HSEIESMBXKXZBK-RYUDHWBXSA-N -1 0 333.746 3.920 20 0 EHADRM Cn1ccc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc21 ZINC000078001611 1123592093 /nfs/dbraw/zinc/59/20/93/1123592093.db2.gz AKYCSIAWPVBHCO-UHFFFAOYSA-N -1 0 326.830 3.694 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2[nH]nc(-c3ccc(C)o3)c2C)c1 ZINC000135402419 1123608885 /nfs/dbraw/zinc/60/88/85/1123608885.db2.gz CWZVOHJVNCUOHR-UHFFFAOYSA-N -1 0 345.424 3.650 20 0 EHADRM O=C(NCc1ccc(OC(F)F)cc1)c1ccc([O-])c(Cl)c1 ZINC000078282384 1123615692 /nfs/dbraw/zinc/61/56/92/1123615692.db2.gz GSKWFFQUKHETRE-UHFFFAOYSA-N -1 0 327.714 3.577 20 0 EHADRM Cc1nc(CNC(=O)c2c([O-])cc(Cl)cc2Cl)sc1C ZINC000080034064 1123735660 /nfs/dbraw/zinc/73/56/60/1123735660.db2.gz KWPOFROKZIZQBJ-UHFFFAOYSA-N -1 0 331.224 3.702 20 0 EHADRM O=C([O-])CCCCC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000263293560 1123749225 /nfs/dbraw/zinc/74/92/25/1123749225.db2.gz LYLHAANQTQWPJL-UHFFFAOYSA-N -1 0 343.345 3.841 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NCCC1=CCCCC1)C(=O)[O-] ZINC000237554505 1123763860 /nfs/dbraw/zinc/76/38/60/1123763860.db2.gz GKHQSHRSQHJRKK-ZDUSSCGKSA-N -1 0 333.453 3.872 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@H](C)OC1CCCCCC1 ZINC000237558134 1123769711 /nfs/dbraw/zinc/76/97/11/1123769711.db2.gz YJRVYDLTOBAJMI-YJBOKZPZSA-N -1 0 347.455 3.755 20 0 EHADRM CC[C@H](CC(F)(F)F)C(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000615282206 1123770864 /nfs/dbraw/zinc/77/08/64/1123770864.db2.gz ZVAYFJGGWXUYDS-SECBINFHSA-N -1 0 327.306 3.699 20 0 EHADRM Cc1ccc(OCCCC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1C ZINC000237711505 1123824569 /nfs/dbraw/zinc/82/45/69/1123824569.db2.gz GEYHCYVACIEKMF-QGZVFWFLSA-N -1 0 347.455 3.566 20 0 EHADRM Cc1cccc2[nH]cc(CC(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)c21 ZINC000237738273 1123835679 /nfs/dbraw/zinc/83/56/79/1123835679.db2.gz DKLJNEFXKMJIFX-JXMROGBWSA-N -1 0 334.375 3.755 20 0 EHADRM Cc1ccc(Cl)c(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)c1 ZINC000237833989 1123873785 /nfs/dbraw/zinc/87/37/85/1123873785.db2.gz VZUBBBBGUCMVJH-UHFFFAOYSA-N -1 0 343.810 3.847 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2ccc(C=CC(=O)[O-])cc2)cc1 ZINC000237839615 1123878174 /nfs/dbraw/zinc/87/81/74/1123878174.db2.gz KXPMKHPOPDROAS-AWNIVKPZSA-N -1 0 337.375 3.694 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)cc1 ZINC000237946762 1123925530 /nfs/dbraw/zinc/92/55/30/1123925530.db2.gz WBZBHEQZYTXXKK-VOTDVEDPSA-N -1 0 343.329 3.805 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)cc1 ZINC000237947441 1123925562 /nfs/dbraw/zinc/92/55/62/1123925562.db2.gz WBZBHEQZYTXXKK-OVPGCVMQSA-N -1 0 343.329 3.805 20 0 EHADRM C[C@H]1CCC(C)(C)N1C(=O)c1cc(Br)c(F)cc1[O-] ZINC000616165604 1123954948 /nfs/dbraw/zinc/95/49/48/1123954948.db2.gz LSEWGSBZDWGFFR-QMMMGPOBSA-N -1 0 330.197 3.697 20 0 EHADRM O=C([O-])c1ccn(-c2ccccc2NC(=O)/C=C/C2CCCCC2)n1 ZINC000238229335 1124018151 /nfs/dbraw/zinc/01/81/51/1124018151.db2.gz NEUHZPRVPKJVBG-ZHACJKMWSA-N -1 0 339.395 3.646 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000263549353 1124080522 /nfs/dbraw/zinc/08/05/22/1124080522.db2.gz VRDILEMSKIVFIY-ZFWWWQNUSA-N -1 0 337.847 3.765 20 0 EHADRM C[C@H](CC(=O)Nc1cc(C#N)ccc1[O-])C(=O)c1ccc(Cl)cc1 ZINC000180886098 1124093278 /nfs/dbraw/zinc/09/32/78/1124093278.db2.gz CJXBKQPYDWFVQJ-LLVKDONJSA-N -1 0 342.782 3.765 20 0 EHADRM Cc1nc(C(=O)N2CCCC3(CCCCC3)CC2)ccc1C(=O)[O-] ZINC000263570779 1124533573 /nfs/dbraw/zinc/53/35/73/1124533573.db2.gz IOTSABRJQLYVOQ-UHFFFAOYSA-N -1 0 330.428 3.665 20 0 EHADRM O=S(=O)([N-]c1cccc(-c2cnco2)c1)c1cc2ccccc2o1 ZINC000084920282 1124604812 /nfs/dbraw/zinc/60/48/12/1124604812.db2.gz YSVKQJLMFSZZPY-UHFFFAOYSA-N -1 0 340.360 3.889 20 0 EHADRM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc3ccccc3o2)c1C ZINC000084920136 1124604829 /nfs/dbraw/zinc/60/48/29/1124604829.db2.gz RMMMARALKNMYBO-UHFFFAOYSA-N -1 0 344.392 3.500 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cc(F)ccc2Cl)cccc1N(C)C ZINC000181155835 1124608769 /nfs/dbraw/zinc/60/87/69/1124608769.db2.gz OYTOILIQCJQZOV-UHFFFAOYSA-N -1 0 342.823 3.654 20 0 EHADRM CC[C@@H](CC(=O)[N-]S(=O)(=O)c1cc(C)oc1C)c1ccc(C)cc1 ZINC000181317744 1124747196 /nfs/dbraw/zinc/74/71/96/1124747196.db2.gz LBOBCYNMBBFSPX-HNNXBMFYSA-N -1 0 349.452 3.594 20 0 EHADRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCCOC(C)C ZINC000181468880 1124867640 /nfs/dbraw/zinc/86/76/40/1124867640.db2.gz VKKGHVLSNJKXHL-HNNXBMFYSA-N -1 0 326.396 3.573 20 0 EHADRM CCCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000735203558 1131316803 /nfs/dbraw/zinc/31/68/03/1131316803.db2.gz SPGTWVXWQQKCDK-CYBMUJFWSA-N -1 0 329.437 3.627 20 0 EHADRM CCCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000735204251 1131316958 /nfs/dbraw/zinc/31/69/58/1131316958.db2.gz TUPGVVPVWZTCKG-HNNXBMFYSA-N -1 0 343.464 3.768 20 0 EHADRM C[C@H](Oc1cccc(/C=C/C(=O)c2ccc(N(C)C)cc2)c1)C(=O)[O-] ZINC000069621393 1124956989 /nfs/dbraw/zinc/95/69/89/1124956989.db2.gz DKBQCPKUJWXMMK-GMMCIKNFSA-N -1 0 339.391 3.501 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)c1 ZINC000735265565 1131327702 /nfs/dbraw/zinc/32/77/02/1131327702.db2.gz JJMBWLLDLVYUNJ-UHFFFAOYSA-N -1 0 328.846 3.566 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1cnc(Cl)c(C)c1 ZINC000735265853 1131328025 /nfs/dbraw/zinc/32/80/25/1131328025.db2.gz MKWWHSQWNRAAII-UHFFFAOYSA-N -1 0 340.832 3.633 20 0 EHADRM CSCc1cccc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)c1 ZINC000735267847 1131328168 /nfs/dbraw/zinc/32/81/68/1131328168.db2.gz JSQJMBMQDIHPEV-UHFFFAOYSA-N -1 0 342.873 3.707 20 0 EHADRM CCc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000070031347 1125164265 /nfs/dbraw/zinc/16/42/65/1125164265.db2.gz VVZZWBNBBNFXRF-ZDUSSCGKSA-N -1 0 342.420 3.570 20 0 EHADRM CC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000188611913 1125447098 /nfs/dbraw/zinc/44/70/98/1125447098.db2.gz CMPZLGPDCCXDTH-UHFFFAOYSA-N -1 0 346.383 3.619 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccsc2)s1)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000466092821 1129184493 /nfs/dbraw/zinc/18/44/93/1129184493.db2.gz BDZSZBKJMVXLEW-QWHCGFSZSA-N -1 0 348.497 3.779 20 0 EHADRM Cc1cc(C)c(NC(=O)CC2(C(=O)[O-])CCCCCC2)cc1CO ZINC000682518594 1129221775 /nfs/dbraw/zinc/22/17/75/1129221775.db2.gz NNFNOKCDZTUWOO-UHFFFAOYSA-N -1 0 333.428 3.550 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)c(F)c1 ZINC000478855831 1129280516 /nfs/dbraw/zinc/28/05/16/1129280516.db2.gz MTSUWRKEMDEVDB-QAPCUYQASA-N -1 0 341.382 3.980 20 0 EHADRM O=C(/C=C\C1CCCCC1)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000735592736 1131364196 /nfs/dbraw/zinc/36/41/96/1131364196.db2.gz DORFJDSWQCOISJ-RAXLEYEMSA-N -1 0 347.480 3.507 20 0 EHADRM Cc1nn(C)c(Cl)c1/C=C/c1ccc2cc(C(=O)[O-])ccc2n1 ZINC000766007743 1129714998 /nfs/dbraw/zinc/71/49/98/1129714998.db2.gz NZZFGPNZHAIBFD-VOTSOKGWSA-N -1 0 327.771 3.799 20 0 EHADRM CCSc1n[n-]c(=NC(=O)NC(CC(C)C)CC(C)C)s1 ZINC000509070540 1129718615 /nfs/dbraw/zinc/71/86/15/1129718615.db2.gz REOYSUNOVUZNNS-UHFFFAOYSA-N -1 0 330.523 3.654 20 0 EHADRM CC(C)c1ccc(NC(=O)COC(=O)c2c(F)cc([O-])cc2F)cc1 ZINC000735953551 1131393358 /nfs/dbraw/zinc/39/33/58/1131393358.db2.gz XSICETHMPHNFGH-UHFFFAOYSA-N -1 0 349.333 3.589 20 0 EHADRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccccc1OC(C)C ZINC000509100568 1129746916 /nfs/dbraw/zinc/74/69/16/1129746916.db2.gz ROYRLMJKQXCPOI-UHFFFAOYSA-N -1 0 349.452 3.900 20 0 EHADRM Cc1c(C(=O)[O-])cnn1-c1cccc(NC(=O)c2ccc(C)cc2C)c1 ZINC000347788979 1129781400 /nfs/dbraw/zinc/78/14/00/1129781400.db2.gz XXJOYOMVUOQGCB-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM Cc1n[n-]c(=NCc2ccc(OCc3cccc(F)c3)cc2)s1 ZINC000347792213 1129790159 /nfs/dbraw/zinc/79/01/59/1129790159.db2.gz FZFAEMXCUSANOA-UHFFFAOYSA-N -1 0 329.400 3.599 20 0 EHADRM CCC(CC)c1n[n-]c(=NCc2ccccc2OCCOC)s1 ZINC000347806267 1129834027 /nfs/dbraw/zinc/83/40/27/1129834027.db2.gz CMQPZZUYPDKLDO-UHFFFAOYSA-N -1 0 335.473 3.501 20 0 EHADRM Cc1ccnc(Br)c1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212510992 1129871388 /nfs/dbraw/zinc/87/13/88/1129871388.db2.gz MWDUFFAVVOBUPB-UHFFFAOYSA-N -1 0 343.127 3.873 20 0 EHADRM Cc1cc(Br)nc(Nc2ccc(C(=O)[O-])c(F)c2F)c1 ZINC001212511106 1129876264 /nfs/dbraw/zinc/87/62/64/1129876264.db2.gz RZQSKXNDMDKZQR-UHFFFAOYSA-N -1 0 343.127 3.873 20 0 EHADRM Cc1cccc(O)c1C(=O)N1C[C@H](c2ccccc2Cl)OC[C@@H]1C ZINC000625486594 1129902735 /nfs/dbraw/zinc/90/27/35/1129902735.db2.gz HUYPGJVLNMWCFJ-SUMWQHHRSA-N -1 0 345.826 3.956 20 0 EHADRM Cc1ccccc1-n1nccc1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212511832 1129913669 /nfs/dbraw/zinc/91/36/69/1129913669.db2.gz HSBONIHRWFFAJE-UHFFFAOYSA-N -1 0 329.306 3.901 20 0 EHADRM O=C([O-])c1ccc(Nc2ncccc2N2CCCCC2)c(F)c1F ZINC001212512622 1129922233 /nfs/dbraw/zinc/92/22/33/1129922233.db2.gz VWQXFJARCUAGIR-UHFFFAOYSA-N -1 0 333.338 3.792 20 0 EHADRM COC(=O)c1cc(Cl)cc(Nc2ccc(C(=O)[O-])c(F)c2F)c1 ZINC001212514720 1129927528 /nfs/dbraw/zinc/92/75/28/1129927528.db2.gz JFHINDMKSMQHBR-UHFFFAOYSA-N -1 0 341.697 3.847 20 0 EHADRM Cc1cc(NS(=O)(=O)c2c(C)ccc3ncccc32)ccc1F ZINC000673981859 1129931168 /nfs/dbraw/zinc/93/11/68/1129931168.db2.gz AXWRIAMBGFDMJN-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM CC(C)CCc1n[n-]c(=NCc2csc(Br)c2)o1 ZINC000347880351 1129971253 /nfs/dbraw/zinc/97/12/53/1129971253.db2.gz JRWXCWALOYTLII-UHFFFAOYSA-N -1 0 330.251 3.516 20 0 EHADRM Cc1cnc(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)c([O-])c1 ZINC001626096511 1129972517 /nfs/dbraw/zinc/97/25/17/1129972517.db2.gz XEMVZPYFWTZHHZ-UHFFFAOYSA-N -1 0 343.383 3.534 20 0 EHADRM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000171013611 1129997711 /nfs/dbraw/zinc/99/77/11/1129997711.db2.gz MCMHLTPICVDJQI-JTQLQIEISA-N -1 0 343.807 3.987 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2nc(C3CC3)cs2)c(C)c1 ZINC000171154973 1130023578 /nfs/dbraw/zinc/02/35/78/1130023578.db2.gz FRCYUVQABIPVNQ-UHFFFAOYSA-N -1 0 338.454 3.528 20 0 EHADRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ncc(C(C)C)s1 ZINC000509224591 1130080230 /nfs/dbraw/zinc/08/02/30/1130080230.db2.gz OJPFYHAPALVICH-UHFFFAOYSA-N -1 0 340.470 3.693 20 0 EHADRM COCCOc1ccccc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000172888799 1130166803 /nfs/dbraw/zinc/16/68/03/1130166803.db2.gz MFETZXWPBIAUPK-UHFFFAOYSA-N -1 0 349.452 3.636 20 0 EHADRM CCOC(=O)c1cnc(NC(=O)/C=C\[C@]2(C)CC[C@H](C)C2(C)C)[n-]1 ZINC001128847644 1130207389 /nfs/dbraw/zinc/20/73/89/1130207389.db2.gz UCJCIDZOTCZLIN-IPNXXIGUSA-N -1 0 333.432 3.544 20 0 EHADRM CC(C)(CNC(=O)CC1(C(=O)[O-])CCCCCC1)[C@H]1CCCCO1 ZINC000675149741 1130267289 /nfs/dbraw/zinc/26/72/89/1130267289.db2.gz RBHYLQUZRHLGKQ-OAHLLOKOSA-N -1 0 339.476 3.513 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccn([C@H](C)c3ccccc3)n2)s1 ZINC000675284578 1130302942 /nfs/dbraw/zinc/30/29/42/1130302942.db2.gz FSHQRTPBDHXSSA-CYBMUJFWSA-N -1 0 347.465 3.663 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)n1 ZINC000675297674 1130304903 /nfs/dbraw/zinc/30/49/03/1130304903.db2.gz LQPDUPAYGUCRDA-UHFFFAOYSA-N -1 0 349.264 3.911 20 0 EHADRM CCN(C(=O)c1c([O-])cc(F)cc1F)[C@H](C)c1cccc(OC)c1 ZINC000173806899 1130317110 /nfs/dbraw/zinc/31/71/10/1130317110.db2.gz YBWSBTPFYNLRML-LLVKDONJSA-N -1 0 335.350 3.902 20 0 EHADRM CCCCC[C@H](NC(=O)C(=O)[N-]OC1CCCCC1)c1ccccc1 ZINC000804091711 1130533063 /nfs/dbraw/zinc/53/30/63/1130533063.db2.gz PUHKQXVRXPVOLM-SFHVURJKSA-N -1 0 346.471 3.805 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCCc2sccc2C1 ZINC000676141560 1130538841 /nfs/dbraw/zinc/53/88/41/1130538841.db2.gz JFGBDVDMLSTPPP-UHFFFAOYSA-N -1 0 325.792 3.835 20 0 EHADRM COC[C@@H]1CCCN1C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000676165350 1130541697 /nfs/dbraw/zinc/54/16/97/1130541697.db2.gz DENDQSKATGLBTH-HNNXBMFYSA-N -1 0 345.826 3.964 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1O ZINC000175975217 1130846197 /nfs/dbraw/zinc/84/61/97/1130846197.db2.gz MTECYVDJJYTIQO-UHFFFAOYSA-N -1 0 331.315 3.520 20 0 EHADRM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1n[n-]c2ccccc2c1=O ZINC000731895189 1130858306 /nfs/dbraw/zinc/85/83/06/1130858306.db2.gz LRMMRGKBIGMDQD-UKRRQHHQSA-N -1 0 327.428 3.670 20 0 EHADRM CCCN(C(=O)c1n[n-]c2ccccc2c1=O)[C@H]1CCc2ccccc21 ZINC000732278694 1130905923 /nfs/dbraw/zinc/90/59/23/1130905923.db2.gz SFHCXWNSKKSZKQ-SFHVURJKSA-N -1 0 347.418 3.875 20 0 EHADRM CC[C@@H](NC(=O)c1n[n-]c2ccccc2c1=O)c1cccc(Cl)c1 ZINC000732268308 1130907805 /nfs/dbraw/zinc/90/78/05/1130907805.db2.gz HFHMSLNFQNEBAE-CQSZACIVSA-N -1 0 341.798 3.870 20 0 EHADRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cc2ccc(F)cc2s1 ZINC000732906171 1130969459 /nfs/dbraw/zinc/96/94/59/1130969459.db2.gz NLHMGIOZWRAZPK-SNVBAGLBSA-N -1 0 343.445 3.536 20 0 EHADRM CC(C)(C)CS(=O)(=O)[N-]C(=O)c1cc2c(cccc2Cl)s1 ZINC000733057457 1130987683 /nfs/dbraw/zinc/98/76/83/1130987683.db2.gz KJARTHINOKXRTQ-UHFFFAOYSA-N -1 0 345.873 3.660 20 0 EHADRM CCC[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000733674232 1131065887 /nfs/dbraw/zinc/06/58/87/1131065887.db2.gz FTCSLZZHCHXICI-MRXNPFEDSA-N -1 0 337.485 3.878 20 0 EHADRM CCC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000733686687 1131068357 /nfs/dbraw/zinc/06/83/57/1131068357.db2.gz UXZIUYAGGFYAEE-OAHLLOKOSA-N -1 0 329.506 3.762 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)-c1ccccc1C2 ZINC000733711369 1131072179 /nfs/dbraw/zinc/07/21/79/1131072179.db2.gz WCMIMCXDQBEXKP-UHFFFAOYSA-N -1 0 343.448 3.506 20 0 EHADRM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCCSc2ccccc21 ZINC000348068229 1131137950 /nfs/dbraw/zinc/13/79/50/1131137950.db2.gz GTRBAEYIZFFNMU-UHFFFAOYSA-N -1 0 336.416 3.671 20 0 EHADRM COc1ccccc1-c1cc(C(=O)Nc2cccc(Cl)c2[O-])no1 ZINC000736683221 1131430462 /nfs/dbraw/zinc/43/04/62/1131430462.db2.gz QTBZVCXDVYIHPH-UHFFFAOYSA-N -1 0 344.754 3.962 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)c2ncoc2-c2ccccc2)cc1 ZINC000738558217 1131472054 /nfs/dbraw/zinc/47/20/54/1131472054.db2.gz ISIPGKUEWGIQEN-DHZHZOJOSA-N -1 0 334.331 3.692 20 0 EHADRM O=C([O-])C1(CNC(=O)c2sccc2-c2ccc(F)cc2)CCC1 ZINC000738498977 1131473225 /nfs/dbraw/zinc/47/32/25/1131473225.db2.gz WKSLOSDQGDBLNP-UHFFFAOYSA-N -1 0 333.384 3.539 20 0 EHADRM CC(C)CCS(=O)(=O)[N-]C(=O)C[C@@H](C)c1ccc(C(C)C)cc1 ZINC000739184453 1131493044 /nfs/dbraw/zinc/49/30/44/1131493044.db2.gz VZVOZPOBHWXSEW-OAHLLOKOSA-N -1 0 339.501 3.796 20 0 EHADRM CC[C@@H](CC(=O)[N-]S(=O)(=O)c1ccccc1C)c1ccc(C)cc1 ZINC000739138006 1131493398 /nfs/dbraw/zinc/49/33/98/1131493398.db2.gz PKMNLOUWYRWQBA-INIZCTEOSA-N -1 0 345.464 3.692 20 0 EHADRM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCCC1CCCCC1 ZINC000737352288 1131510118 /nfs/dbraw/zinc/51/01/18/1131510118.db2.gz CVPSQUANVSCFDH-OAHLLOKOSA-N -1 0 337.485 3.944 20 0 EHADRM CCC(=CC(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1ccc(C)cc1 ZINC000741554722 1131621941 /nfs/dbraw/zinc/62/19/41/1131621941.db2.gz SZOLGBIIKQKKNB-OWBHPGMISA-N -1 0 349.390 3.770 20 0 EHADRM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1cccc2c1OCCO2 ZINC000742027498 1131685001 /nfs/dbraw/zinc/68/50/01/1131685001.db2.gz GEJLLICECWYDKD-UHFFFAOYSA-N -1 0 347.436 3.556 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccc(N2CCCC2)c(C)c1 ZINC000743048124 1131843624 /nfs/dbraw/zinc/84/36/24/1131843624.db2.gz XFWOTHVMXFCDBS-UHFFFAOYSA-N -1 0 336.482 3.766 20 0 EHADRM Cc1cccc(F)c1CNC(=O)c1cccc(Br)c1[O-] ZINC000743720085 1131970295 /nfs/dbraw/zinc/97/02/95/1131970295.db2.gz NBMPMPJGLPBHLH-UHFFFAOYSA-N -1 0 338.176 3.532 20 0 EHADRM CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000744004147 1132006941 /nfs/dbraw/zinc/00/69/41/1132006941.db2.gz WDHBQROSWHFYIB-CQSZACIVSA-N -1 0 325.474 3.715 20 0 EHADRM C/C(=C/C(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(C)(C)C ZINC000744012493 1132007367 /nfs/dbraw/zinc/00/73/67/1132007367.db2.gz GTNYCYZIQCXYHW-KTKRTIGZSA-N -1 0 349.374 3.503 20 0 EHADRM CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1 ZINC000744163571 1132029281 /nfs/dbraw/zinc/02/92/81/1132029281.db2.gz BVPPOPKIXZWRKB-GJZGRUSLSA-N -1 0 325.474 3.800 20 0 EHADRM CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1 ZINC000744166860 1132030281 /nfs/dbraw/zinc/03/02/81/1132030281.db2.gz WHDWDLNVFCPSQY-CABCVRRESA-N -1 0 325.474 3.800 20 0 EHADRM CC(=O)c1cccc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)c1 ZINC001173900617 1132167131 /nfs/dbraw/zinc/16/71/31/1132167131.db2.gz TZOZVVMBAIHMKI-UHFFFAOYSA-N -1 0 325.773 3.533 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])c1ccc(Nc2cccc(C(N)=O)c2)cc1 ZINC001174061609 1132212134 /nfs/dbraw/zinc/21/21/34/1132212134.db2.gz QNNDDVQNMPOCOI-MRXNPFEDSA-N -1 0 326.396 3.743 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)cc1 ZINC000182487940 1132249697 /nfs/dbraw/zinc/24/96/97/1132249697.db2.gz YPRZVYZIDBVWNM-UHFFFAOYSA-N -1 0 346.433 3.864 20 0 EHADRM O=C(c1ccc(Cl)c([O-])c1)N(Cc1ccc(O)cc1)CC1CC1 ZINC001545682003 1132331582 /nfs/dbraw/zinc/33/15/82/1132331582.db2.gz MVRWNTRHDHRMCJ-UHFFFAOYSA-N -1 0 331.799 3.804 20 0 EHADRM CCOC(=O)c1nnsc1[N-]c1cc(OCC)ccc1Cl ZINC001212575492 1132338571 /nfs/dbraw/zinc/33/85/71/1132338571.db2.gz ITTBYDICUXRKEF-UHFFFAOYSA-N -1 0 327.793 3.511 20 0 EHADRM CC(C)(C)OC(=O)c1ccc(Nc2cccc(S(=O)(=O)[O-])c2)cc1 ZINC001174425792 1132350082 /nfs/dbraw/zinc/35/00/82/1132350082.db2.gz JKXHESHTPUJSQV-UHFFFAOYSA-N -1 0 349.408 3.632 20 0 EHADRM CCOc1ncccc1Nc1ccc(F)c(Br)c1[O-] ZINC001174457961 1132375322 /nfs/dbraw/zinc/37/53/22/1132375322.db2.gz VNZUMYGOWKJLIH-UHFFFAOYSA-N -1 0 327.153 3.831 20 0 EHADRM Nc1ccc(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)c(F)c1 ZINC001174481943 1132382782 /nfs/dbraw/zinc/38/27/82/1132382782.db2.gz INUMFOBRPPFFAB-UHFFFAOYSA-N -1 0 332.356 3.551 20 0 EHADRM CC[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)c1ccccc1 ZINC000746234465 1132393564 /nfs/dbraw/zinc/39/35/64/1132393564.db2.gz JZCUBSLQKCOLSX-CQSZACIVSA-N -1 0 339.420 3.505 20 0 EHADRM CC(C)(NC(=O)c1ccc2[n-]c(=S)oc2c1)c1ccc(F)cc1 ZINC000746216041 1132394493 /nfs/dbraw/zinc/39/44/93/1132394493.db2.gz MLDVFKTYEBDQBY-UHFFFAOYSA-N -1 0 330.384 3.921 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)c2ccc3[n-]c(=S)oc3c2)s1 ZINC000746284313 1132398453 /nfs/dbraw/zinc/39/84/53/1132398453.db2.gz HYPZEHAAPAYXOL-VIFPVBQESA-N -1 0 332.450 3.847 20 0 EHADRM Cc1cc(S(=O)(=O)[O-])c(Nc2ccc(O)cc2C)cc1Cl ZINC001174563968 1132416104 /nfs/dbraw/zinc/41/61/04/1132416104.db2.gz ITPHITBMAZEQQV-UHFFFAOYSA-N -1 0 327.789 3.653 20 0 EHADRM Cc1ccccc1O[C@@H](C)CNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000746314451 1132425304 /nfs/dbraw/zinc/42/53/04/1132425304.db2.gz FBCZZGWEJHZTNR-LBPRGKRZSA-N -1 0 342.420 3.622 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ncc(C)cc1Br ZINC001174670262 1132432086 /nfs/dbraw/zinc/43/20/86/1132432086.db2.gz KHEMNIKDOFIOOK-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM Cc1ccc(CC[C@@H](C)NC(=O)c2ccc3[n-]c(=S)oc3c2)o1 ZINC000746317705 1132433683 /nfs/dbraw/zinc/43/36/83/1132433683.db2.gz XYAPUDJPLUAEET-SNVBAGLBSA-N -1 0 330.409 3.769 20 0 EHADRM COCCCNc1cccc(F)c1Nc1ccc(C(=O)[O-])cc1OC ZINC001174680049 1132435015 /nfs/dbraw/zinc/43/50/15/1132435015.db2.gz LVWRQAXNHSNGHE-UHFFFAOYSA-N -1 0 348.374 3.725 20 0 EHADRM COc1cc(Nc2ccc3ncnc(Cl)c3c2)ccc1C(=O)[O-] ZINC001174688493 1132436929 /nfs/dbraw/zinc/43/69/29/1132436929.db2.gz YZEGNJFFVUSSFS-UHFFFAOYSA-N -1 0 329.743 3.734 20 0 EHADRM COc1cc(Nc2cccc(C(=O)NCC(C)C)c2)ccc1C(=O)[O-] ZINC001174686413 1132436943 /nfs/dbraw/zinc/43/69/43/1132436943.db2.gz BXDDLARTHPXMST-UHFFFAOYSA-N -1 0 342.395 3.523 20 0 EHADRM COc1ccc(Nc2ccc(C(F)F)cc2)c(S(=O)(=O)[O-])c1 ZINC001174715502 1132449677 /nfs/dbraw/zinc/44/96/77/1132449677.db2.gz CTGHGMIDBVVCNK-UHFFFAOYSA-N -1 0 329.324 3.623 20 0 EHADRM CC1(C)CN(C(=O)c2c([O-])cc(F)cc2F)CC[C@H]1C(F)(F)F ZINC000190652111 1132454547 /nfs/dbraw/zinc/45/45/47/1132454547.db2.gz XRNWWHRUKOJPBJ-LLVKDONJSA-N -1 0 337.288 3.721 20 0 EHADRM CCOC(=O)c1cnc2c(cccc2Nc2ccc(C(=O)[O-])s2)c1 ZINC001174807753 1132479295 /nfs/dbraw/zinc/47/92/95/1132479295.db2.gz OGDOVQNGHOBSFO-UHFFFAOYSA-N -1 0 342.376 3.915 20 0 EHADRM O=C([O-])c1ccc(Nc2ccccc2I)s1 ZINC001174810494 1132479947 /nfs/dbraw/zinc/47/99/47/1132479947.db2.gz PGNQJUZQGIJXMW-UHFFFAOYSA-N -1 0 345.161 3.795 20 0 EHADRM O=C([O-])c1ccc(Nc2ccccc2-c2nc(CO)cs2)s1 ZINC001174813393 1132481755 /nfs/dbraw/zinc/48/17/55/1132481755.db2.gz ZJPIFJFWASEITB-UHFFFAOYSA-N -1 0 332.406 3.806 20 0 EHADRM CC[C@](C)([N-]S(=O)(=O)/C=C\c1ccccc1Cl)C(F)(F)F ZINC000746400236 1132510630 /nfs/dbraw/zinc/51/06/30/1132510630.db2.gz CTOBQGXCGUZJOT-LAUAKBEESA-N -1 0 341.782 3.961 20 0 EHADRM COc1cccc(-n2nc(C)cc2Nc2ccc(CC(=O)[O-])cc2)c1 ZINC001174949968 1132515759 /nfs/dbraw/zinc/51/57/59/1132515759.db2.gz MHNKNTSTVIADAY-UHFFFAOYSA-N -1 0 337.379 3.560 20 0 EHADRM Cc1cc(C)c(Nc2cc(F)c(F)c(F)c2)c(S(=O)(=O)[O-])c1 ZINC001174959309 1132519685 /nfs/dbraw/zinc/51/96/85/1132519685.db2.gz AADKDQQXFZMZEY-UHFFFAOYSA-N -1 0 331.315 3.711 20 0 EHADRM COc1cccc(F)c1Nc1ccc2ccccc2c1S(=O)(=O)[O-] ZINC001174993873 1132524910 /nfs/dbraw/zinc/52/49/10/1132524910.db2.gz GWDDNOOBJDCKPB-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM COc1ccccc1-c1cc(Nc2cc(C(=O)[O-])ccc2C)n(C)n1 ZINC001174981075 1132533753 /nfs/dbraw/zinc/53/37/53/1132533753.db2.gz CXPHUMMJHPUBSY-UHFFFAOYSA-N -1 0 337.379 3.846 20 0 EHADRM COC(=O)c1sc2ccncc2c1Nc1cc(C(=O)[O-])ccc1C ZINC001174982591 1132535253 /nfs/dbraw/zinc/53/52/53/1132535253.db2.gz UDOHYXNTJPRKEY-UHFFFAOYSA-N -1 0 342.376 3.833 20 0 EHADRM Cc1cc(S(=O)(=O)[O-])c(Nc2c(F)cc(O)cc2F)cc1Cl ZINC001175096486 1132567297 /nfs/dbraw/zinc/56/72/97/1132567297.db2.gz BKSOFVYHFCUECJ-UHFFFAOYSA-N -1 0 349.742 3.623 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(F)ccc2OC[C@@H]2CCCO2)cc1F ZINC001175156921 1132569658 /nfs/dbraw/zinc/56/96/58/1132569658.db2.gz AMFBXEFKEOINMG-ZDUSSCGKSA-N -1 0 349.333 3.964 20 0 EHADRM C[C@@H]1CCc2sc(Nc3ccc(C(=O)[O-])c(F)c3)c(C(N)=O)c2C1 ZINC001175157158 1132569965 /nfs/dbraw/zinc/56/99/65/1132569965.db2.gz AUUWMPGYIDGWEB-MRVPVSSYSA-N -1 0 348.399 3.553 20 0 EHADRM CCc1nc(Cl)c(Nc2ccc(F)c(C(=O)[O-])c2)c(Cl)n1 ZINC001175216908 1132597786 /nfs/dbraw/zinc/59/77/86/1132597786.db2.gz HSHZHONVTHRSLP-UHFFFAOYSA-N -1 0 330.146 3.927 20 0 EHADRM Nc1cc(Br)cc2c1ccn2-c1ccc(F)c(C(=O)[O-])c1 ZINC001175218590 1132598129 /nfs/dbraw/zinc/59/81/29/1132598129.db2.gz HBVWUEUQDHYTNL-UHFFFAOYSA-N -1 0 349.159 3.813 20 0 EHADRM Cc1cc(Nc2c(O)cc(S(=O)(=O)[O-])c3ccccc32)ccc1F ZINC001175250453 1132609340 /nfs/dbraw/zinc/60/93/40/1132609340.db2.gz BAQZWARASMHCNY-UHFFFAOYSA-N -1 0 347.367 3.983 20 0 EHADRM Cc1cc(Nc2ccc3c(O)cc(S(=O)(=O)[O-])cc3c2)ccc1F ZINC001175256006 1132618008 /nfs/dbraw/zinc/61/80/08/1132618008.db2.gz JIZHSVLZXSOEIC-UHFFFAOYSA-N -1 0 347.367 3.983 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(Br)[nH]c2=O)cc1Cl ZINC001175316705 1132636081 /nfs/dbraw/zinc/63/60/81/1132636081.db2.gz YPYMPDADEOTKHV-UHFFFAOYSA-N -1 0 343.564 3.645 20 0 EHADRM COC(=O)c1cc(F)cc(F)c1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175320614 1132638343 /nfs/dbraw/zinc/63/83/43/1132638343.db2.gz HIWWHRPXGKIGMP-UHFFFAOYSA-N -1 0 341.697 3.847 20 0 EHADRM O=C([O-])c1cccc(Nc2ccc(OC3CCOCC3)c(F)c2)c1 ZINC001175330596 1132641270 /nfs/dbraw/zinc/64/12/70/1132641270.db2.gz HADMMVIQBRVUMD-UHFFFAOYSA-N -1 0 331.343 3.825 20 0 EHADRM CCOC(=O)c1sc([N-]c2cncs2)c(C(=O)OCC)c1C ZINC001175494897 1132683138 /nfs/dbraw/zinc/68/31/38/1132683138.db2.gz HDUUDEKUVGEHSP-UHFFFAOYSA-N -1 0 340.426 3.610 20 0 EHADRM COC(=O)[C@H](CC1CCCCC1)Nc1ccccc1/C=C/C(=O)[O-] ZINC001169164325 1132684596 /nfs/dbraw/zinc/68/45/96/1132684596.db2.gz IALGSVZJNOIHTE-FLVLSHQESA-N -1 0 331.412 3.708 20 0 EHADRM Cc1n[nH]c2cc(Nc3ccc(Cl)cc3S(=O)(=O)[O-])ccc12 ZINC001175662290 1132733688 /nfs/dbraw/zinc/73/36/88/1132733688.db2.gz DFRHQXBMDCILAZ-UHFFFAOYSA-N -1 0 337.788 3.515 20 0 EHADRM CC(C)(Nc1ccc(C(=O)[O-])nn1)c1cc(Cl)cc(Cl)c1 ZINC001169465373 1132767277 /nfs/dbraw/zinc/76/72/77/1132767277.db2.gz YLKSODWQBDWYCZ-UHFFFAOYSA-N -1 0 326.183 3.829 20 0 EHADRM O=C([O-])c1cncc(Nc2cc(F)c(F)cc2Br)c1 ZINC001175842185 1132773597 /nfs/dbraw/zinc/77/35/97/1132773597.db2.gz SUSGLJVOAWEZKV-UHFFFAOYSA-N -1 0 329.100 3.564 20 0 EHADRM CCN(C(=O)c1cc(C(=O)[O-])co1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000543693225 1132788377 /nfs/dbraw/zinc/78/83/77/1132788377.db2.gz PDYIFLWHBZDAQY-INIZCTEOSA-N -1 0 347.386 3.846 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCc2cc(F)c(F)cc2C1 ZINC001176045651 1132813776 /nfs/dbraw/zinc/81/37/76/1132813776.db2.gz KSFVNVBSCONULA-UHFFFAOYSA-N -1 0 346.358 3.593 20 0 EHADRM Cc1cc(NC(=O)c2c([O-])cnc3c(F)cccc32)cc(O)c1C ZINC001176276885 1132887527 /nfs/dbraw/zinc/88/75/27/1132887527.db2.gz OYRGWLBLAJFYFT-UHFFFAOYSA-N -1 0 326.327 3.654 20 0 EHADRM COc1ccc(-c2cc(Nc3csc(C(=O)[O-])c3)n(C)n2)cc1 ZINC001176435866 1132929154 /nfs/dbraw/zinc/92/91/54/1132929154.db2.gz GNRFNFDTLRGHSP-UHFFFAOYSA-N -1 0 329.381 3.599 20 0 EHADRM Cc1cc(C)c(Nc2csc(C(=O)[O-])c2)c(Br)n1 ZINC001176436626 1132929182 /nfs/dbraw/zinc/92/91/82/1132929182.db2.gz XXDYCVJTBZAGMT-UHFFFAOYSA-N -1 0 327.203 3.964 20 0 EHADRM O=C([O-])c1cc(Nc2ccc(N3CCSCC3)c(F)c2)cs1 ZINC001176439968 1132929690 /nfs/dbraw/zinc/92/96/90/1132929690.db2.gz CXENXGFCWNQARL-UHFFFAOYSA-N -1 0 338.429 3.882 20 0 EHADRM O=C([O-])c1cc(Nc2ccc(N3CCOCC3)c(Cl)c2)cs1 ZINC001176439291 1132929970 /nfs/dbraw/zinc/92/99/70/1132929970.db2.gz NUNWSWDWSJRPGO-UHFFFAOYSA-N -1 0 338.816 3.680 20 0 EHADRM CCOC(=O)c1ccc2ccc(Nc3csc(C(=O)[O-])c3)cc2n1 ZINC001176440876 1132929978 /nfs/dbraw/zinc/92/99/78/1132929978.db2.gz QFIFVCRAODXEAY-UHFFFAOYSA-N -1 0 342.376 3.915 20 0 EHADRM O=S(=O)([O-])c1c(Nc2ccc(O)cc2F)ccc2ccccc21 ZINC001176411536 1132933405 /nfs/dbraw/zinc/93/34/05/1132933405.db2.gz FLOKCKOTVOQFLR-UHFFFAOYSA-N -1 0 333.340 3.675 20 0 EHADRM C/C(=C\C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000767090702 1132947504 /nfs/dbraw/zinc/94/75/04/1132947504.db2.gz IYEBBEXKFVBJRR-DSFOZCKCSA-N -1 0 325.339 3.966 20 0 EHADRM Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000767089613 1132947544 /nfs/dbraw/zinc/94/75/44/1132947544.db2.gz AJDPWFLMDSRVGZ-FLIBITNWSA-N -1 0 341.411 3.605 20 0 EHADRM O=S(=O)([O-])c1cccc(Nc2cccc(OC(F)(F)F)c2)c1 ZINC001176540692 1132958881 /nfs/dbraw/zinc/95/88/81/1132958881.db2.gz IPJGFWKBJOHZGO-UHFFFAOYSA-N -1 0 333.287 3.576 20 0 EHADRM COC(=O)c1cc(C)c(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c(C)c1 ZINC001176589007 1132962401 /nfs/dbraw/zinc/96/24/01/1132962401.db2.gz SUYWTBMXLGJLAR-UHFFFAOYSA-N -1 0 339.391 3.950 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2cnc3cc(C(F)(F)F)nn3c2)cc1 ZINC001176594032 1132963273 /nfs/dbraw/zinc/96/32/73/1132963273.db2.gz MDIHPKQKACWSBL-ZZXKWVIFSA-N -1 0 348.284 3.590 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2nc3cccc(C(F)(F)F)n3n2)cc1 ZINC001176592721 1132963388 /nfs/dbraw/zinc/96/33/88/1132963388.db2.gz MWUQXQRREHTQBX-RMKNXTFCSA-N -1 0 348.284 3.590 20 0 EHADRM CCOC(=O)Cc1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC001176595581 1132964111 /nfs/dbraw/zinc/96/41/11/1132964111.db2.gz PYIMAZPBRVUEID-KPKJPENVSA-N -1 0 325.364 3.634 20 0 EHADRM CCOC(=O)c1ccc(NC)c(Nc2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC001176595712 1132964412 /nfs/dbraw/zinc/96/44/12/1132964412.db2.gz UJUWYTQAFFWZAT-IZZDOVSWSA-N -1 0 340.379 3.746 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000767200515 1132966504 /nfs/dbraw/zinc/96/65/04/1132966504.db2.gz BMXNNMNNGCRKHJ-RAXLEYEMSA-N -1 0 325.364 3.744 20 0 EHADRM COc1cc(Nc2c(F)cc(F)c([O-])c2F)c(C(C)=O)cc1OC ZINC001176670190 1132978948 /nfs/dbraw/zinc/97/89/48/1132978948.db2.gz UGDRKLQUOSFVPW-UHFFFAOYSA-N -1 0 341.285 3.773 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc3nnc(-c4ccccc4F)n3c2)cc1 ZINC001176711247 1132995067 /nfs/dbraw/zinc/99/50/67/1132995067.db2.gz SBFNBAFKYKUYHK-UHFFFAOYSA-N -1 0 348.337 3.977 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(Br)cnc2Cl)cc1 ZINC001176711616 1132995451 /nfs/dbraw/zinc/99/54/51/1132995451.db2.gz PFOIICXZYDTRCA-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM Nc1ccc(-c2ccc(Nc3ccc(C(=O)[O-])cc3)c(O)c2)cc1O ZINC001176715955 1132996483 /nfs/dbraw/zinc/99/64/83/1132996483.db2.gz VKSLMVFOFJXJGC-UHFFFAOYSA-N -1 0 336.347 3.789 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)C[C@@H]1CCC[C@H](C)C1 ZINC000767571926 1133020890 /nfs/dbraw/zinc/02/08/90/1133020890.db2.gz SQIDTHHXTRGDCD-WCQYABFASA-N -1 0 343.876 3.670 20 0 EHADRM CC[C@H](C)[C@H]([N-]S(=O)(=O)/C=C\c1ccc(F)cc1)C(F)(F)F ZINC000767604040 1133024480 /nfs/dbraw/zinc/02/44/80/1133024480.db2.gz IWZYANALMCTAMJ-HILGPIJQSA-N -1 0 339.354 3.693 20 0 EHADRM CC(=O)c1cc(F)c([O-])c(NC(=O)c2ccsc2C(F)F)c1 ZINC001178433343 1133163735 /nfs/dbraw/zinc/16/37/35/1133163735.db2.gz OYPJNFASADIGOX-UHFFFAOYSA-N -1 0 329.299 3.985 20 0 EHADRM COc1ccc(Cl)cc1CC(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000769241384 1133249781 /nfs/dbraw/zinc/24/97/81/1133249781.db2.gz DECQWDDYDXJCQU-UHFFFAOYSA-N -1 0 348.811 3.960 20 0 EHADRM Cc1noc(C(F)F)c1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000769300297 1133257100 /nfs/dbraw/zinc/25/71/00/1133257100.db2.gz MYBASUSBOXUYAH-UHFFFAOYSA-N -1 0 325.296 3.603 20 0 EHADRM O=C(Nc1cc2c(cc1Cl)OCCO2)c1c([O-])cccc1Cl ZINC000769639306 1133319437 /nfs/dbraw/zinc/31/94/37/1133319437.db2.gz OUWRIMZFXATTOY-UHFFFAOYSA-N -1 0 340.162 3.723 20 0 EHADRM O=C(Nc1ccc(Nc2ncccn2)cc1)c1cccc(Cl)c1[O-] ZINC000769671932 1133328377 /nfs/dbraw/zinc/32/83/77/1133328377.db2.gz IMRLTIINXZDLCD-UHFFFAOYSA-N -1 0 340.770 3.832 20 0 EHADRM O=C(Nc1ccc(-c2csnn2)cc1)c1c([O-])cccc1Cl ZINC000769711502 1133333935 /nfs/dbraw/zinc/33/39/35/1133333935.db2.gz BCKLGUPMUXLAIE-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM COc1ccc(NC(=O)c2c([O-])cccc2Cl)c2cccnc12 ZINC000769720200 1133335056 /nfs/dbraw/zinc/33/50/56/1133335056.db2.gz QCYFDJGFRPAIMA-UHFFFAOYSA-N -1 0 328.755 3.855 20 0 EHADRM Cc1ccccc1-n1nccc1NC(=O)c1c([O-])cccc1Cl ZINC000769861036 1133351505 /nfs/dbraw/zinc/35/15/05/1133351505.db2.gz KYIFCLVCCISNIF-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM COc1cc(CC(=O)Nc2ccc3[n-]c(=S)sc3c2)ccc1F ZINC001180425577 1133367804 /nfs/dbraw/zinc/36/78/04/1133367804.db2.gz OBIRRKMFADTNIH-UHFFFAOYSA-N -1 0 348.424 3.914 20 0 EHADRM CCN(C(=O)C1(C(=O)[O-])CCCCC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001180434941 1133369438 /nfs/dbraw/zinc/36/94/38/1133369438.db2.gz QPMHUPVJAMDTBR-HNNXBMFYSA-N -1 0 347.455 3.510 20 0 EHADRM Nc1ccc(-c2ccc(NC(=O)C3(C(=O)[O-])CCCCC3)cc2)cc1 ZINC001180437979 1133370651 /nfs/dbraw/zinc/37/06/51/1133370651.db2.gz IHSNESYLKPKLQP-UHFFFAOYSA-N -1 0 338.407 3.909 20 0 EHADRM O=C(Cc1ccc(O)cc1F)Nc1c(Cl)ccc([O-])c1Cl ZINC001180649945 1133402826 /nfs/dbraw/zinc/40/28/26/1133402826.db2.gz KBFILOHQACDGFA-UHFFFAOYSA-N -1 0 330.142 3.725 20 0 EHADRM CC(=O)c1cc(F)c([N-]C(=O)c2sc(Cl)nc2C)c(F)c1F ZINC000770528315 1133442848 /nfs/dbraw/zinc/44/28/48/1133442848.db2.gz XOXRLTQNSIDNAS-UHFFFAOYSA-N -1 0 348.733 3.977 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC(C)(C)C)cc1 ZINC000773945985 1133533262 /nfs/dbraw/zinc/53/32/62/1133533262.db2.gz JRWVNHSWNBEOPH-ZDUSSCGKSA-N -1 0 325.474 3.516 20 0 EHADRM CCC1(CC)C[C@H]1C(=O)Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1 ZINC001181887004 1133547273 /nfs/dbraw/zinc/54/72/73/1133547273.db2.gz OVENNYIPVCHNIB-INIZCTEOSA-N -1 0 347.436 3.851 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])C1=NO[C@H](c2ccccc2)C1 ZINC000771504713 1133567277 /nfs/dbraw/zinc/56/72/77/1133567277.db2.gz LRTPLXFBLBKIPY-AWEZNQCLSA-N -1 0 334.734 3.641 20 0 EHADRM Cn1cc(/C=C\c2ncc(/C=C\C(=O)[O-])s2)c(-c2ccccc2)n1 ZINC000771523693 1133569861 /nfs/dbraw/zinc/56/98/61/1133569861.db2.gz DXPLQYJLBCMWQY-XOHWUJONSA-N -1 0 337.404 3.812 20 0 EHADRM O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1c([O-])cccc1F ZINC000771977430 1133629555 /nfs/dbraw/zinc/62/95/55/1133629555.db2.gz SBIQTTDROIUGLG-UHFFFAOYSA-N -1 0 348.761 3.564 20 0 EHADRM Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000772345918 1133676412 /nfs/dbraw/zinc/67/64/12/1133676412.db2.gz QJPOSDXOQOPNAR-JTQLQIEISA-N -1 0 335.762 3.921 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)sc2c1)C12CCC(CO)(CC1)CC2 ZINC001182707372 1133721864 /nfs/dbraw/zinc/72/18/64/1133721864.db2.gz JZNLBQXBGKSPSL-UHFFFAOYSA-N -1 0 348.493 3.856 20 0 EHADRM O=C(Cc1ccc([S-])cc1)N1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1 ZINC001183187641 1133776808 /nfs/dbraw/zinc/77/68/08/1133776808.db2.gz KSMFRKUGKHYYNK-NZSAHSFTSA-N -1 0 345.508 3.572 20 0 EHADRM COC(=O)c1cnc(-c2cc(Cl)c([O-])c(Cl)c2)c(OC)c1 ZINC001242848534 1133825346 /nfs/dbraw/zinc/82/53/46/1133825346.db2.gz AJDXJQJTHZXLEK-UHFFFAOYSA-N -1 0 328.151 3.556 20 0 EHADRM Cc1ccc(C(C)(C)CNC(=O)c2c([O-])cc(F)cc2F)c(C)c1 ZINC001183579532 1133829544 /nfs/dbraw/zinc/82/95/44/1133829544.db2.gz JWCUVCUUCAHKOH-UHFFFAOYSA-N -1 0 333.378 3.995 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000786659852 1133883060 /nfs/dbraw/zinc/88/30/60/1133883060.db2.gz IPFKPHFTNRRSPW-IXDOHACOSA-N -1 0 349.496 3.660 20 0 EHADRM C[C@@H]1CN(C(=O)CCC(=O)C=C([O-])c2ccc(Cl)cc2)C2(CC2)C1 ZINC001184120789 1133900594 /nfs/dbraw/zinc/90/05/94/1133900594.db2.gz VPDHQCYPHSGJAL-ZDUSSCGKSA-N -1 0 347.842 3.663 20 0 EHADRM Cc1cc(OS(=O)(=O)c2cn[n-]c2Cl)c(C(C)C)cc1Cl ZINC001184743169 1133986190 /nfs/dbraw/zinc/98/61/90/1133986190.db2.gz FJDVNHWPOWCJIS-UHFFFAOYSA-N -1 0 349.239 3.916 20 0 EHADRM Cc1cccnc1C(F)(F)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000787531211 1134013733 /nfs/dbraw/zinc/01/37/33/1134013733.db2.gz QTMOLSDBSVMEHW-UHFFFAOYSA-N -1 0 330.693 3.619 20 0 EHADRM Cc1cccc(C(C)(C)C)c1[N-]S(=O)(=O)c1cnc(Cl)nc1 ZINC001185049843 1134018820 /nfs/dbraw/zinc/01/88/20/1134018820.db2.gz GRUPTCBLHVUROZ-UHFFFAOYSA-N -1 0 339.848 3.537 20 0 EHADRM CC(C)c1ccc(C2(C(=O)[N-]OC3CCOCC3)CCCC2)cc1 ZINC000772708500 1134042769 /nfs/dbraw/zinc/04/27/69/1134042769.db2.gz TWGQLHYAVAYJJU-UHFFFAOYSA-N -1 0 331.456 3.849 20 0 EHADRM O=S(=O)([N-]c1cc(-c2ccc(Cl)cc2)no1)c1ccsc1 ZINC001185351493 1134070119 /nfs/dbraw/zinc/07/01/19/1134070119.db2.gz YHTVRNOVAADVRW-UHFFFAOYSA-N -1 0 340.813 3.857 20 0 EHADRM COc1ccc(-c2ccc([N-]S(=O)(=O)c3ccsc3)cn2)cc1 ZINC001185341781 1134074181 /nfs/dbraw/zinc/07/41/81/1134074181.db2.gz HEGVZUGGUNTREX-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccsc2)c(C)cc1Br ZINC001185384227 1134076528 /nfs/dbraw/zinc/07/65/28/1134076528.db2.gz PVZXPEDRQLPFOI-UHFFFAOYSA-N -1 0 346.271 3.928 20 0 EHADRM C[C@H](NC(=O)C=C([O-])c1ccccc1Cl)c1nc2ccccc2[nH]1 ZINC001185432769 1134085508 /nfs/dbraw/zinc/08/55/08/1134085508.db2.gz BSMDLJGFWPRKAF-NSHDSACASA-N -1 0 341.798 3.667 20 0 EHADRM O=S(=O)([N-]c1snc2cccnc21)c1cc2ccccc2s1 ZINC001185432357 1134085625 /nfs/dbraw/zinc/08/56/25/1134085625.db2.gz AEXKSNATGOSOQM-UHFFFAOYSA-N -1 0 347.446 3.707 20 0 EHADRM CN(C)c1ccccc1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185453797 1134089985 /nfs/dbraw/zinc/08/99/85/1134089985.db2.gz DNQBONKTMUMGCE-UHFFFAOYSA-N -1 0 332.450 3.768 20 0 EHADRM Cc1nc2c(cccc2[N-]S(=O)(=O)c2ccc(Cl)c(C)c2)o1 ZINC001185525311 1134102854 /nfs/dbraw/zinc/10/28/54/1134102854.db2.gz WTJLWPLRAVEKFF-UHFFFAOYSA-N -1 0 336.800 3.899 20 0 EHADRM CCCc1cccc(C(C)C)c1NC(=O)C(=O)[N-]OC1CCCC1 ZINC000788339322 1134111330 /nfs/dbraw/zinc/11/13/30/1134111330.db2.gz QPJZXBIKLBMLBO-UHFFFAOYSA-N -1 0 332.444 3.691 20 0 EHADRM O=C([O-])/C=C/c1cnc(/C=C/c2ncc(C(F)(F)F)s2)s1 ZINC000788353684 1134114914 /nfs/dbraw/zinc/11/49/14/1134114914.db2.gz BEPZVMLNFKRGPS-DXLKSGPOSA-N -1 0 332.328 3.887 20 0 EHADRM COc1cccc2c([N-]S(=O)(=O)c3ccc(Cl)nc3)cccc12 ZINC001185687196 1134119847 /nfs/dbraw/zinc/11/98/47/1134119847.db2.gz AGFKISWCHYONBU-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)nc1C ZINC000788490386 1134131731 /nfs/dbraw/zinc/13/17/31/1134131731.db2.gz AHKSQESLRQVTAV-UHFFFAOYSA-N -1 0 328.846 3.566 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(-c2ccccc2)n1 ZINC001185796897 1134134767 /nfs/dbraw/zinc/13/47/67/1134134767.db2.gz UDEKWNWGUJYGII-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM O=C(NCc1cccc(F)c1)Nc1c(Cl)c(F)[n-]c(=O)c1Cl ZINC001185793145 1134137065 /nfs/dbraw/zinc/13/70/65/1134137065.db2.gz HVOJKBWAELYOBY-UHFFFAOYSA-N -1 0 348.136 3.694 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1c(O)ccc2ccccc21 ZINC001185828735 1134138133 /nfs/dbraw/zinc/13/81/33/1134138133.db2.gz ILIFJTKYZXDWPB-UHFFFAOYSA-N -1 0 331.368 3.794 20 0 EHADRM O=C(Nc1nc(F)cc(C(F)(F)F)c1F)c1cccc([S-])c1 ZINC001186130256 1134172531 /nfs/dbraw/zinc/17/25/31/1134172531.db2.gz KEYRAFLEWZDVGN-UHFFFAOYSA-N -1 0 334.269 3.920 20 0 EHADRM COc1c(F)cccc1[N-]S(=O)(=O)c1csc2ccccc21 ZINC001186442276 1134213771 /nfs/dbraw/zinc/21/37/71/1134213771.db2.gz ZNPFVFLTIJZRFK-UHFFFAOYSA-N -1 0 337.397 3.850 20 0 EHADRM O=S(=O)([N-]c1cc(C2CCC2)no1)c1csc2ccccc12 ZINC001186451477 1134214034 /nfs/dbraw/zinc/21/40/34/1134214034.db2.gz IHQAUBBVZYZSDR-UHFFFAOYSA-N -1 0 334.422 3.958 20 0 EHADRM O=S(=O)([N-]c1cccc2cnoc21)c1csc2ccccc21 ZINC001186497699 1134222418 /nfs/dbraw/zinc/22/24/18/1134222418.db2.gz DGXGZUBUGHTXOG-UHFFFAOYSA-N -1 0 330.390 3.843 20 0 EHADRM O=C1CCc2c1cccc2[N-]S(=O)(=O)c1csc2ccccc21 ZINC001186495855 1134222808 /nfs/dbraw/zinc/22/28/08/1134222808.db2.gz UYJBWRVWJNGVAN-UHFFFAOYSA-N -1 0 343.429 3.831 20 0 EHADRM O=C(CCCC1CCCCC1)[N-]S(=O)(=O)c1cccc(F)c1F ZINC000775037286 1134237925 /nfs/dbraw/zinc/23/79/25/1134237925.db2.gz XUUKBQBUMKCNJT-UHFFFAOYSA-N -1 0 345.411 3.520 20 0 EHADRM O=S(=O)([N-]c1ccc(OC2CCCCC2)c(F)c1)c1ccco1 ZINC001186856413 1134269478 /nfs/dbraw/zinc/26/94/78/1134269478.db2.gz OEGFXMWSLATNOS-UHFFFAOYSA-N -1 0 339.388 3.931 20 0 EHADRM O=S(=O)([N-]c1ccc(C(F)F)nc1)c1cc2c(s1)CCCC2 ZINC001187184739 1134306077 /nfs/dbraw/zinc/30/60/77/1134306077.db2.gz JWXJFSUMBFTKCB-UHFFFAOYSA-N -1 0 344.408 3.760 20 0 EHADRM O=S(=O)([N-]c1cnc2c(c1)CCCC2)c1cc2c(s1)CCCC2 ZINC001187184912 1134306284 /nfs/dbraw/zinc/30/62/84/1134306284.db2.gz LBCJKMXYHSHJFS-UHFFFAOYSA-N -1 0 348.493 3.702 20 0 EHADRM COCc1ccc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)cc1 ZINC001187208472 1134314594 /nfs/dbraw/zinc/31/45/94/1134314594.db2.gz CPNMBPLGQDXNKF-UHFFFAOYSA-N -1 0 337.466 3.574 20 0 EHADRM O=C1CCc2c1cccc2[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187209057 1134314671 /nfs/dbraw/zinc/31/46/71/1134314671.db2.gz JHPJAOHHKIPNFM-UHFFFAOYSA-N -1 0 347.461 3.557 20 0 EHADRM Cc1cc(F)cc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)c1 ZINC001187209413 1134314710 /nfs/dbraw/zinc/31/47/10/1134314710.db2.gz MFZAAXFTZASWED-UHFFFAOYSA-N -1 0 325.430 3.875 20 0 EHADRM C[C@@H](CC1CCCCC1)NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000775106152 1134317585 /nfs/dbraw/zinc/31/75/85/1134317585.db2.gz FQQNCPGDCQQMRQ-NSHDSACASA-N -1 0 345.468 3.713 20 0 EHADRM Cc1oncc1S(=O)(=O)[N-]c1ccccc1-c1ccccc1F ZINC001187369872 1134327934 /nfs/dbraw/zinc/32/79/34/1134327934.db2.gz ZSEIWHPXWPBFSZ-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM Cc1oncc1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1Cl ZINC001187376436 1134329045 /nfs/dbraw/zinc/32/90/45/1134329045.db2.gz NAIQRSWRQOKJOM-UHFFFAOYSA-N -1 0 341.603 3.744 20 0 EHADRM CC(C)Oc1ccccc1CNc1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000789901568 1134347509 /nfs/dbraw/zinc/34/75/09/1134347509.db2.gz AFKXPCGQCJXODD-UHFFFAOYSA-N -1 0 343.379 3.555 20 0 EHADRM O=C([N-]c1nnc(C2CCCCC2)s1)c1nc(Cl)cs1 ZINC000789905806 1134348896 /nfs/dbraw/zinc/34/88/96/1134348896.db2.gz BBZPZZPSWOIEBV-UHFFFAOYSA-N -1 0 328.850 3.948 20 0 EHADRM Cc1ncc([N-]S(=O)(=O)CCc2cccc3ccccc32)s1 ZINC001187617001 1134356568 /nfs/dbraw/zinc/35/65/68/1134356568.db2.gz ZDALXJJQUGSIJX-UHFFFAOYSA-N -1 0 332.450 3.589 20 0 EHADRM C[S@@](=O)c1ccccc1C(=O)Nc1c(Cl)ccc([O-])c1Cl ZINC001187850147 1134389295 /nfs/dbraw/zinc/38/92/95/1134389295.db2.gz FRWHWRMNOTVCRE-OAQYLSRUSA-N -1 0 344.219 3.689 20 0 EHADRM O=C(Nc1ccc2c(c1)OCO2)Nc1ccc2[n-]c(=S)sc2c1 ZINC001187867795 1134392463 /nfs/dbraw/zinc/39/24/63/1134392463.db2.gz UTFOQWHYJCIUAG-UHFFFAOYSA-N -1 0 345.405 3.958 20 0 EHADRM O=S(=O)([N-]c1ccc(C2CC2)c2ccccc12)c1nccs1 ZINC001187900547 1134394672 /nfs/dbraw/zinc/39/46/72/1134394672.db2.gz SWANWIWXETYHSR-UHFFFAOYSA-N -1 0 330.434 3.975 20 0 EHADRM CC(C)CC[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1[O-] ZINC001188096466 1134427139 /nfs/dbraw/zinc/42/71/39/1134427139.db2.gz NLUQPYOMBJGVCH-LBPRGKRZSA-N -1 0 331.865 3.635 20 0 EHADRM CON(Cc1ccccc1)C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000790524995 1134430419 /nfs/dbraw/zinc/43/04/19/1134430419.db2.gz OLRIYSXUEIZIPK-UHFFFAOYSA-N -1 0 346.437 3.862 20 0 EHADRM O=C(Nc1c(Cl)ccc([O-])c1Cl)c1cccn(C(F)F)c1=O ZINC001188527274 1134472447 /nfs/dbraw/zinc/47/24/47/1134472447.db2.gz LVHOAWWUFLOWAG-UHFFFAOYSA-N -1 0 349.120 3.508 20 0 EHADRM O=S(=O)([N-]c1cc(F)ccc1OC1CCCCC1)c1ccoc1 ZINC001188614003 1134482133 /nfs/dbraw/zinc/48/21/33/1134482133.db2.gz AZHPTGRZTWEKEL-UHFFFAOYSA-N -1 0 339.388 3.931 20 0 EHADRM CCC(CC)Oc1ccc(F)cc1[N-]S(=O)(=O)c1ccoc1 ZINC001188614113 1134482286 /nfs/dbraw/zinc/48/22/86/1134482286.db2.gz ICMWFWOJNMOULP-UHFFFAOYSA-N -1 0 327.377 3.787 20 0 EHADRM O=C(OCc1ccccc1OC(F)F)c1c(F)cc([O-])cc1F ZINC000746983587 1134511768 /nfs/dbraw/zinc/51/17/68/1134511768.db2.gz ALPKKJNVPLXBBG-UHFFFAOYSA-N -1 0 330.233 3.629 20 0 EHADRM Cc1ccc(-c2nc(COC(=O)c3c(F)cc([O-])cc3F)co2)cc1 ZINC000746986175 1134516180 /nfs/dbraw/zinc/51/61/80/1134516180.db2.gz NCCSFKWRTKPQDM-UHFFFAOYSA-N -1 0 345.301 3.991 20 0 EHADRM O=S(=O)(Nc1ccccc1)c1ccc(Oc2cccnc2)cc1 ZINC001188846305 1134516946 /nfs/dbraw/zinc/51/69/46/1134516946.db2.gz GSJSMGXKGKYLFC-UHFFFAOYSA-N -1 0 326.377 3.675 20 0 EHADRM O=C(OCCOc1ccc(Cl)c(F)c1)c1c(F)cc([O-])cc1F ZINC000791387383 1134542477 /nfs/dbraw/zinc/54/24/77/1134542477.db2.gz UIBLIJGTHMBXJF-UHFFFAOYSA-N -1 0 346.688 3.699 20 0 EHADRM CCc1ccc(O)c(NS(=O)(=O)CCc2ccc(Cl)cc2)c1 ZINC001189104640 1134544589 /nfs/dbraw/zinc/54/45/89/1134544589.db2.gz ZELZQXKYWVICSV-UHFFFAOYSA-N -1 0 339.844 3.592 20 0 EHADRM CC[C@@H](NS(=O)(=O)c1ccc(F)c2ccccc21)C(F)(F)F ZINC001189406903 1134583721 /nfs/dbraw/zinc/58/37/21/1134583721.db2.gz LQJXLGQMVHGEEK-CYBMUJFWSA-N -1 0 335.322 3.598 20 0 EHADRM O=c1nc(CSc2ccc(-c3ccco3)nn2)[n-]c2ccsc21 ZINC001189640311 1134605068 /nfs/dbraw/zinc/60/50/68/1134605068.db2.gz HEONFDHXPSULIN-UHFFFAOYSA-N -1 0 342.405 3.739 20 0 EHADRM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2onc(C3CC3)c2Cl)[C@@H]1C ZINC001189794321 1134628415 /nfs/dbraw/zinc/62/84/15/1134628415.db2.gz QEINGMZTRFMDNP-FOGDFJRCSA-N -1 0 346.880 3.556 20 0 EHADRM O=C([O-])c1ccc(Nc2nccnc2OCc2ccccc2)c(F)c1 ZINC001203286269 1134631846 /nfs/dbraw/zinc/63/18/46/1134631846.db2.gz MQCDGTOSUANGCT-UHFFFAOYSA-N -1 0 339.326 3.637 20 0 EHADRM CCCC(=CC(=O)[N-]S(=O)(=O)Cc1ccc(C)cc1F)CCC ZINC000792081449 1134652580 /nfs/dbraw/zinc/65/25/80/1134652580.db2.gz MFVLUDFTQXAUCR-UHFFFAOYSA-N -1 0 341.448 3.607 20 0 EHADRM O=S(=O)(C=C([O-])c1ccc2ccccc2c1)c1ccc(F)cc1 ZINC001190120832 1134662299 /nfs/dbraw/zinc/66/22/99/1134662299.db2.gz RQSHBNUZNVMILT-UHFFFAOYSA-N -1 0 328.364 3.636 20 0 EHADRM Cc1ccc(C(C)C)cc1[N-]S(=O)(=O)c1ncc(F)cc1F ZINC001190182504 1134668303 /nfs/dbraw/zinc/66/83/03/1134668303.db2.gz AHAKTCLQKIMQDF-UHFFFAOYSA-N -1 0 326.368 3.592 20 0 EHADRM Cc1ccnc(C)c1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC001190296525 1134681760 /nfs/dbraw/zinc/68/17/60/1134681760.db2.gz UVNGQCUBKOFSQK-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)ccn1 ZINC001190358498 1134687615 /nfs/dbraw/zinc/68/76/15/1134687615.db2.gz MKZRWZSUDGJROI-UHFFFAOYSA-N -1 0 344.358 3.597 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ncc(O)cc2C)cc1 ZINC001190423957 1134698362 /nfs/dbraw/zinc/69/83/62/1134698362.db2.gz UDEVHDHQNZYHCW-UHFFFAOYSA-N -1 0 334.441 3.584 20 0 EHADRM Cc1ccc(-c2ccc([N-]S(=O)(=O)c3ncc[nH]3)cc2Cl)cc1 ZINC001190728914 1134743404 /nfs/dbraw/zinc/74/34/04/1134743404.db2.gz BKFSDQIHEXBYER-UHFFFAOYSA-N -1 0 347.827 3.839 20 0 EHADRM Cc1cc(Br)cc(S(=O)(=O)[N-]c2cccs2)c1 ZINC001191271600 1134838160 /nfs/dbraw/zinc/83/81/60/1134838160.db2.gz BYTJDVSPOQHGEY-UHFFFAOYSA-N -1 0 332.244 3.620 20 0 EHADRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccnc(C2CC2)c1 ZINC001191671108 1134897859 /nfs/dbraw/zinc/89/78/59/1134897859.db2.gz MSSQHLAVBZEKLA-UHFFFAOYSA-N -1 0 346.452 3.892 20 0 EHADRM CCc1ncsc1[N-]S(=O)(=O)c1cc(C(C)C)ccc1OC ZINC001191670444 1134897886 /nfs/dbraw/zinc/89/78/86/1134897886.db2.gz GKOUWENTGPOMKZ-UHFFFAOYSA-N -1 0 340.470 3.638 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2Cl)cn1 ZINC001191723132 1134905257 /nfs/dbraw/zinc/90/52/57/1134905257.db2.gz XAKPLSFAELPCDJ-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2Cl)cn1 ZINC001191722767 1134905303 /nfs/dbraw/zinc/90/53/03/1134905303.db2.gz QFTNJUOOSLCDKB-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cccc(OC(C)C)c1 ZINC001191821011 1134930535 /nfs/dbraw/zinc/93/05/35/1134930535.db2.gz CTYHTCAAOBBHNS-UHFFFAOYSA-N -1 0 349.452 3.982 20 0 EHADRM Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3cncs3)cc2)cc1 ZINC001192064149 1134963816 /nfs/dbraw/zinc/96/38/16/1134963816.db2.gz RSPCBEXSDJRGRM-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3nnccc3C)cc2)cc1 ZINC001192065957 1134964133 /nfs/dbraw/zinc/96/41/33/1134964133.db2.gz TYBNWUXTBHBGDK-UHFFFAOYSA-N -1 0 339.420 3.561 20 0 EHADRM COC(=O)c1ccc([O-])c(C(=O)Nc2cc3ccccc3s2)c1 ZINC001192376765 1135009020 /nfs/dbraw/zinc/00/90/20/1135009020.db2.gz KPIBAUIRTAIESU-UHFFFAOYSA-N -1 0 327.361 3.646 20 0 EHADRM C[C@@H](C(=O)[N-]OCc1cccnc1)c1c(Cl)cccc1Cl ZINC000747166630 1135011611 /nfs/dbraw/zinc/01/16/11/1135011611.db2.gz CWOPGQVMTZUUJG-SNVBAGLBSA-N -1 0 325.195 3.740 20 0 EHADRM O=C(Nc1ccc2sccc2c1)Nc1cccc(S(=O)(=O)[O-])c1 ZINC001192448957 1135021097 /nfs/dbraw/zinc/02/10/97/1135021097.db2.gz RGJHYXOQNAOXEW-UHFFFAOYSA-N -1 0 348.405 3.792 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)sc2c1)c1cnc(C(F)F)cn1 ZINC001192566730 1135030524 /nfs/dbraw/zinc/03/05/24/1135030524.db2.gz OYQJCSBAHFCOOE-UHFFFAOYSA-N -1 0 338.364 3.565 20 0 EHADRM O=C(Cc1csc(-c2ccc(Cl)cc2)n1)[N-]OC/C=C/Cl ZINC000794289192 1135037770 /nfs/dbraw/zinc/03/77/70/1135037770.db2.gz SDDVZKARIPRMQD-LZCJLJQNSA-N -1 0 343.235 3.806 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3cccnc3c2)c1 ZINC001192804682 1135057513 /nfs/dbraw/zinc/05/75/13/1135057513.db2.gz BENSLVBKAYQYOL-UHFFFAOYSA-N -1 0 342.420 3.607 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C)ccc2C(C)=O)c1 ZINC001192816934 1135059347 /nfs/dbraw/zinc/05/93/47/1135059347.db2.gz ZZDNQDIABINPLI-UHFFFAOYSA-N -1 0 347.436 3.569 20 0 EHADRM O=C(N[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1)c1cc(F)c([O-])cc1F ZINC001192888320 1135068733 /nfs/dbraw/zinc/06/87/33/1135068733.db2.gz VHSUZHCMKSTTCE-AUECHSEWSA-N -1 0 343.373 3.983 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccncc2)cc1)c1cnccc1Cl ZINC001192893825 1135069374 /nfs/dbraw/zinc/06/93/74/1135069374.db2.gz IRMJCPPYTDGQOZ-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM Cc1cccc2cccc([N-]S(=O)(=O)c3cnccc3Cl)c12 ZINC001192902850 1135070479 /nfs/dbraw/zinc/07/04/79/1135070479.db2.gz TXWBPDRVUTUIJT-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM C[C@H]1c2ccccc2CCN1C(=O)c1cc(Cl)nc(Cl)c1[O-] ZINC001193084274 1135097807 /nfs/dbraw/zinc/09/78/07/1135097807.db2.gz TULRTTPLIBRDKB-VIFPVBQESA-N -1 0 337.206 3.854 20 0 EHADRM O=C(Nc1ccc(Cl)c2nsnc21)c1ccc(F)c([O-])c1F ZINC001193789659 1135181163 /nfs/dbraw/zinc/18/11/63/1135181163.db2.gz URWHBHLLNFQOHJ-UHFFFAOYSA-N -1 0 341.726 3.581 20 0 EHADRM C[C@@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1c(F)cncc1F ZINC000804826515 1135204705 /nfs/dbraw/zinc/20/47/05/1135204705.db2.gz YVXYSWKIVHXHIM-SSDOTTSWSA-N -1 0 348.246 3.607 20 0 EHADRM CCCC[C@H](CC)COC(=O)Nc1cccc(C(=O)N(C)C)c1[O-] ZINC001193968710 1135207820 /nfs/dbraw/zinc/20/78/20/1135207820.db2.gz PVIWWMIDPASJKV-ZDUSSCGKSA-N -1 0 336.432 3.859 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2ccc(-c3cccs3)cc2)cn1 ZINC001194131239 1135230245 /nfs/dbraw/zinc/23/02/45/1135230245.db2.gz PTBXJHUNTCZVDV-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM O=S(=O)(Cc1noc2ccccc21)[N-]c1cc(F)cc(Cl)c1 ZINC001194092372 1135231650 /nfs/dbraw/zinc/23/16/50/1135231650.db2.gz LDJNSSBINFBOJX-UHFFFAOYSA-N -1 0 340.763 3.562 20 0 EHADRM O=S(=O)([N-]c1cncc(F)c1)c1ccc2c(Cl)cccc2c1 ZINC001194216598 1135245399 /nfs/dbraw/zinc/24/53/99/1135245399.db2.gz FXEXXMKSPLGLKV-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1c(F)c(F)cc(F)c1F ZINC000805256888 1135253459 /nfs/dbraw/zinc/25/34/59/1135253459.db2.gz JGWLPLPEZJQWEM-UHFFFAOYSA-N -1 0 337.631 3.993 20 0 EHADRM O=S(=O)([N-]c1csc(Cl)c1)c1ncccc1C(F)(F)F ZINC001194538403 1135282972 /nfs/dbraw/zinc/28/29/72/1135282972.db2.gz PBQCEVNPYZFNKV-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1cc(-c2cccc(F)c2)no1 ZINC001194609973 1135286563 /nfs/dbraw/zinc/28/65/63/1135286563.db2.gz SLGWJMSUUAWWHX-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cn1 ZINC001194603557 1135291355 /nfs/dbraw/zinc/29/13/55/1135291355.db2.gz XXHIMIBFUCUKQQ-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)no2)c1 ZINC001195120154 1135372304 /nfs/dbraw/zinc/37/23/04/1135372304.db2.gz KWENSIRBJPTRII-UHFFFAOYSA-N -1 0 343.408 3.661 20 0 EHADRM O=C(NCc1ccc(OC(F)F)cc1)c1cccc(Cl)c1[O-] ZINC000775642494 1135383537 /nfs/dbraw/zinc/38/35/37/1135383537.db2.gz IGWLCILHLFASCT-UHFFFAOYSA-N -1 0 327.714 3.577 20 0 EHADRM C[C@H]1C[C@@H](NC(=O)c2c([O-])c(F)c(F)c(F)c2F)c2ccccc21 ZINC001195311519 1135411630 /nfs/dbraw/zinc/41/16/30/1135411630.db2.gz UWQXNFCBGMJEKJ-OIBJUYFYSA-N -1 0 339.288 3.927 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc2c(c1)CCC2=O ZINC001195310302 1135411936 /nfs/dbraw/zinc/41/19/36/1135411936.db2.gz XRFXPXYGKVLRDM-UHFFFAOYSA-N -1 0 335.812 3.578 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000775653811 1135418688 /nfs/dbraw/zinc/41/86/88/1135418688.db2.gz BXBMILAMLFPRQK-KRWDZBQOSA-N -1 0 345.826 3.631 20 0 EHADRM CCOC1CC2(C[C@@H]2C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC000867118707 1135431281 /nfs/dbraw/zinc/43/12/81/1135431281.db2.gz WYSJSLFTVGCAPV-KGXJWFGYSA-N -1 0 330.211 3.843 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1ccccc1-n1cccn1 ZINC000805259289 1135433059 /nfs/dbraw/zinc/43/30/59/1135433059.db2.gz QNMIMEUCJBFJRG-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM COc1cc(C)c([C@@H](C)NC(=O)c2cccc(Cl)c2[O-])cc1OC ZINC000775659977 1135433189 /nfs/dbraw/zinc/43/31/89/1135433189.db2.gz QNMAQYWFMYLGBU-LLVKDONJSA-N -1 0 349.814 3.862 20 0 EHADRM O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1cccc(Cl)c1[O-] ZINC000775661526 1135438085 /nfs/dbraw/zinc/43/80/85/1135438085.db2.gz LYUCTVYSCDXYOM-CQSZACIVSA-N -1 0 347.798 3.856 20 0 EHADRM COc1ccccc1CN(C(=O)c1cccc(Cl)c1[O-])C1CC1 ZINC000775665800 1135444252 /nfs/dbraw/zinc/44/42/52/1135444252.db2.gz ZXPOVGXAURJUGR-UHFFFAOYSA-N -1 0 331.799 3.859 20 0 EHADRM CCC[C@@H](NC(=O)CSc1n[n-]c(=S)s1)C1CCCCC1 ZINC000747380953 1135529242 /nfs/dbraw/zinc/52/92/42/1135529242.db2.gz BUWSJKRQYGPZFO-LLVKDONJSA-N -1 0 345.559 3.784 20 0 EHADRM CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)c2cccc(F)c2[O-])CO1 ZINC001130925444 1135539529 /nfs/dbraw/zinc/53/95/29/1135539529.db2.gz DXJACVAUPNAFDT-OAHLLOKOSA-N -1 0 343.398 3.741 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)cn2)cc1C(C)C ZINC001196244826 1135540087 /nfs/dbraw/zinc/54/00/87/1135540087.db2.gz FDVVVQOMLQRAFF-UHFFFAOYSA-N -1 0 340.832 3.668 20 0 EHADRM CC(=O)n1ccc2cc([N-]S(=O)(=O)c3ccc(C)cc3F)ccc21 ZINC001196385054 1135552989 /nfs/dbraw/zinc/55/29/89/1135552989.db2.gz WIKJGVDXNJOORZ-UHFFFAOYSA-N -1 0 346.383 3.550 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc3cc(Cl)ccc3c2)cn1 ZINC001196413091 1135560067 /nfs/dbraw/zinc/56/00/67/1135560067.db2.gz UUGWXEOXYVWMBN-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM CCc1cc([N-]S(=O)(=O)c2ccc3cc(Cl)ccc3c2)on1 ZINC001196416209 1135560691 /nfs/dbraw/zinc/56/06/91/1135560691.db2.gz FOEHONYSYZNBOH-UHFFFAOYSA-N -1 0 336.800 3.844 20 0 EHADRM Cc1ccc(CC(=O)Nc2cc(Cl)c([O-])cc2F)c(Cl)n1 ZINC000807774998 1135570862 /nfs/dbraw/zinc/57/08/62/1135570862.db2.gz GJJIYWJEYBJAFB-UHFFFAOYSA-N -1 0 329.158 3.723 20 0 EHADRM COc1ccc(F)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C)c1 ZINC001196718768 1135599407 /nfs/dbraw/zinc/59/94/07/1135599407.db2.gz ISAXNJLPKHUPBG-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM COc1ccc(F)c(S(=O)(=O)[N-]c2ccccc2C(C)(C)C)c1 ZINC001196763267 1135603483 /nfs/dbraw/zinc/60/34/83/1135603483.db2.gz QLKFOLXYUAXZHC-UHFFFAOYSA-N -1 0 337.416 3.933 20 0 EHADRM CCCCc1ccccc1[N-]S(=O)(=O)c1cc(OC)ccc1F ZINC001196762629 1135603809 /nfs/dbraw/zinc/60/38/09/1135603809.db2.gz CMKWOJDEKLEXPW-UHFFFAOYSA-N -1 0 337.416 3.978 20 0 EHADRM CSCc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2C)cc1 ZINC000808086363 1135616283 /nfs/dbraw/zinc/61/62/83/1135616283.db2.gz BKFYPOLTNIKNII-UHFFFAOYSA-N -1 0 342.873 3.707 20 0 EHADRM Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000808098210 1135617525 /nfs/dbraw/zinc/61/75/25/1135617525.db2.gz GWVBJZRUDCKMEH-UHFFFAOYSA-N -1 0 332.759 3.782 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(C)C)n2)c(C)c1 ZINC001196849671 1135618878 /nfs/dbraw/zinc/61/88/78/1135618878.db2.gz ZFOYAYGHDVKCJN-UHFFFAOYSA-N -1 0 334.441 3.631 20 0 EHADRM COc1ccccc1[C@@H]1CCN(C(=O)c2cccc(Cl)c2[O-])C1 ZINC000775753371 1135630648 /nfs/dbraw/zinc/63/06/48/1135630648.db2.gz JTHHOSOJNZWHNP-GFCCVEGCSA-N -1 0 331.799 3.684 20 0 EHADRM COc1ccccc1[C@H]1CCN(C(=O)c2cccc(Cl)c2[O-])C1 ZINC000775753372 1135630819 /nfs/dbraw/zinc/63/08/19/1135630819.db2.gz JTHHOSOJNZWHNP-LBPRGKRZSA-N -1 0 331.799 3.684 20 0 EHADRM CCOc1cc(F)ccc1NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197069214 1135646708 /nfs/dbraw/zinc/64/67/08/1135646708.db2.gz CYVRNRRDSHMDKT-UHFFFAOYSA-N -1 0 334.372 3.732 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N[C@@H](c2ccccc2F)C2CC2)cc1 ZINC001197137176 1135648959 /nfs/dbraw/zinc/64/89/59/1135648959.db2.gz PVOXGMPKNOTFDO-MRXNPFEDSA-N -1 0 344.411 3.962 20 0 EHADRM CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2cccc(Cl)c2[O-])C12CCC2 ZINC001131235302 1135649259 /nfs/dbraw/zinc/64/92/59/1135649259.db2.gz KEGFBIXIPJWODC-ZIAGYGMSSA-N -1 0 337.847 3.902 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N2C[C@@H]3C[C@H](C2)c2ccccc23)cc1 ZINC001197103884 1135650314 /nfs/dbraw/zinc/65/03/14/1135650314.db2.gz XBGBRVVCGWQMBM-OKILXGFUSA-N -1 0 338.432 3.668 20 0 EHADRM Cc1noc2ccc(NC(=S)Nc3ccc(C(=O)[O-])cc3)cc12 ZINC001197112161 1135650637 /nfs/dbraw/zinc/65/06/37/1135650637.db2.gz NPDXGCWZONXVLW-UHFFFAOYSA-N -1 0 327.365 3.643 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NCc2ccc(Cl)cc2F)cc1 ZINC001197127095 1135652643 /nfs/dbraw/zinc/65/26/43/1135652643.db2.gz LRBUPHZHBUIURD-UHFFFAOYSA-N -1 0 338.791 3.664 20 0 EHADRM CC(C)Oc1cccc(CNC(=S)Nc2ccc(C(=O)[O-])cc2)c1 ZINC001197128397 1135653449 /nfs/dbraw/zinc/65/34/49/1135653449.db2.gz KDDJTMBCULGHLW-UHFFFAOYSA-N -1 0 344.436 3.659 20 0 EHADRM CCc1nnc(-c2cccc(NC(=O)c3cccc(Cl)c3[O-])c2)o1 ZINC000775762090 1135656740 /nfs/dbraw/zinc/65/67/40/1135656740.db2.gz DRJMJANKNSZAAP-UHFFFAOYSA-N -1 0 343.770 3.910 20 0 EHADRM Cc1coc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)n1 ZINC001251261541 1135690484 /nfs/dbraw/zinc/69/04/84/1135690484.db2.gz UVFXOUFYGCCZMJ-UHFFFAOYSA-N -1 0 341.603 3.744 20 0 EHADRM CC1(CC(=O)[N-]S(=O)(=O)c2cccc3ccccc32)CCCC1 ZINC000809002346 1135767480 /nfs/dbraw/zinc/76/74/80/1135767480.db2.gz AXWOFMCNMFZAQV-UHFFFAOYSA-N -1 0 331.437 3.615 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-]C(=O)C2(CC(C)C)CCCC2)cc1 ZINC000809065178 1135771026 /nfs/dbraw/zinc/77/10/26/1135771026.db2.gz YDHXHGAUAYPAQF-UHFFFAOYSA-N -1 0 337.485 3.548 20 0 EHADRM O=S(=O)([N-]c1cnccc1-c1ccccc1)c1cccc(Cl)n1 ZINC001198197114 1135787456 /nfs/dbraw/zinc/78/74/56/1135787456.db2.gz GHPKURLMSAQOAA-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cn1)c1ccccc1Oc1ccccc1 ZINC001198432820 1135813608 /nfs/dbraw/zinc/81/36/08/1135813608.db2.gz ORFNMUJEJQYDEO-UHFFFAOYSA-N -1 0 344.367 3.814 20 0 EHADRM O=S(=O)([N-]c1cccc2c1OCCC2)c1ccc2occc2c1 ZINC001198858988 1135861864 /nfs/dbraw/zinc/86/18/64/1135861864.db2.gz PGKIPMGIXBIQLZ-UHFFFAOYSA-N -1 0 329.377 3.559 20 0 EHADRM CCC(=O)c1cccc(NS(=O)(=O)c2ccc3occc3c2)c1 ZINC001198870255 1135864347 /nfs/dbraw/zinc/86/43/47/1135864347.db2.gz KUYCCSHWCBBNNF-UHFFFAOYSA-N -1 0 329.377 3.826 20 0 EHADRM CCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000776070136 1135948130 /nfs/dbraw/zinc/94/81/30/1135948130.db2.gz QKQRXRVWGJMBNO-GFCCVEGCSA-N -1 0 331.865 3.751 20 0 EHADRM O=C([N-]c1nnc(C(F)(F)C(F)(F)F)s1)c1sccc1F ZINC001132211946 1135955432 /nfs/dbraw/zinc/95/54/32/1135955432.db2.gz WJFBYWCHPYHRFN-UHFFFAOYSA-N -1 0 347.265 3.645 20 0 EHADRM CC(C)(C)NC(=S)Nc1cc(Br)cc(Cl)c1[O-] ZINC001200913799 1135965016 /nfs/dbraw/zinc/96/50/16/1135965016.db2.gz DXFWCAOAAZBBNW-UHFFFAOYSA-N -1 0 337.670 3.893 20 0 EHADRM O=c1cc(NC(=S)Nc2cc(Cl)cc(Cl)c2)[nH]c(=S)[nH]1 ZINC001200993207 1135975119 /nfs/dbraw/zinc/97/51/19/1135975119.db2.gz VMVFPKHTBJVIHA-UHFFFAOYSA-N -1 0 347.252 3.587 20 0 EHADRM Cc1c(C)c(C)c(S(=O)(=O)Nc2cnc(F)c(F)c2)c(C)c1C ZINC001201795573 1136063551 /nfs/dbraw/zinc/06/35/51/1136063551.db2.gz PTTDRHOXODBEHT-UHFFFAOYSA-N -1 0 340.395 3.703 20 0 EHADRM O=C(N[C@H](c1cccc(Cl)c1)C(F)F)c1cccc(F)c1[O-] ZINC001132791687 1136079628 /nfs/dbraw/zinc/07/96/28/1136079628.db2.gz GGGDOONCKPOVRW-GFCCVEGCSA-N -1 0 329.705 3.921 20 0 EHADRM Cc1ccc2c(c1)/C(=C\c1cccc(C(=O)[O-])c1Cl)C(=O)N2C ZINC000811698855 1136127643 /nfs/dbraw/zinc/12/76/43/1136127643.db2.gz NYQQLTZQNXVKGW-NTEUORMPSA-N -1 0 327.767 3.864 20 0 EHADRM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccnc(Cl)c1C ZINC000811835727 1136142548 /nfs/dbraw/zinc/14/25/48/1136142548.db2.gz LUNJGDNIOGGOAI-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CC(C)(NC(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccc(F)cc1 ZINC000811819735 1136144863 /nfs/dbraw/zinc/14/48/63/1136144863.db2.gz GVOYEIPKZTWUML-UHFFFAOYSA-N -1 0 335.762 3.842 20 0 EHADRM C[C@H]1c2ccccc2CCN1C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811823799 1136145768 /nfs/dbraw/zinc/14/57/68/1136145768.db2.gz WUTIHZIZOZEIIM-NSHDSACASA-N -1 0 329.783 3.798 20 0 EHADRM O=C(CC1=CCCCC1)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000106981580 1136157279 /nfs/dbraw/zinc/15/72/79/1136157279.db2.gz LHQOQDNELXRRBL-UHFFFAOYSA-N -1 0 329.421 3.535 20 0 EHADRM CN(Cc1cscc1Br)C(=O)c1cccc(F)c1[O-] ZINC001133228497 1136191243 /nfs/dbraw/zinc/19/12/43/1136191243.db2.gz JGZOODYRJYATHB-UHFFFAOYSA-N -1 0 344.205 3.628 20 0 EHADRM CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)[N-]OCCC(F)(F)F ZINC000812544310 1136219513 /nfs/dbraw/zinc/21/95/13/1136219513.db2.gz PLJJJHGADQPKBD-GFCCVEGCSA-N -1 0 339.741 3.744 20 0 EHADRM O=C(CN(Cc1ccco1)c1cccc(Cl)c1)[N-]OC1CCC1 ZINC000812793259 1136251424 /nfs/dbraw/zinc/25/14/24/1136251424.db2.gz RAUCICQOHPIAIE-UHFFFAOYSA-N -1 0 334.803 3.540 20 0 EHADRM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c1 ZINC000109688669 1136328621 /nfs/dbraw/zinc/32/86/21/1136328621.db2.gz OMGJDUHNDKDDSL-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM CCC1(C(=O)O[C@@H]2C[C@H]([N-]C(=O)C(F)(F)F)c3ccccc32)CC1 ZINC000851176113 1136346810 /nfs/dbraw/zinc/34/68/10/1136346810.db2.gz NJCZNLBOERNYFH-QWHCGFSZSA-N -1 0 341.329 3.584 20 0 EHADRM CC1(CC(=O)O[C@@H]2C[C@H]([N-]C(=O)C(F)(F)F)c3ccccc32)CC1 ZINC000851179777 1136347326 /nfs/dbraw/zinc/34/73/26/1136347326.db2.gz WQQHPSQHXQQTOY-QWHCGFSZSA-N -1 0 341.329 3.584 20 0 EHADRM C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1n[n-]c2ccccc2c1=O ZINC000109943531 1136371279 /nfs/dbraw/zinc/37/12/79/1136371279.db2.gz XUALZAWMLPVTSA-GFCCVEGCSA-N -1 0 347.374 3.503 20 0 EHADRM CC(C)c1cccc2c1CCN(C(=O)c1ccc(/C=C/C(=O)[O-])o1)C2 ZINC000851604949 1136396183 /nfs/dbraw/zinc/39/61/83/1136396183.db2.gz GMZTXCFPEIGXEW-VQHVLOKHSA-N -1 0 339.391 3.699 20 0 EHADRM CC1(C)C[C@@H](c2ccccc2)N(C(=O)c2ccc(/C=C/C(=O)[O-])o2)C1 ZINC000851609555 1136396191 /nfs/dbraw/zinc/39/61/91/1136396191.db2.gz WNARGNVLSVQNQO-SOGBHIHOSA-N -1 0 339.391 3.991 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1sccc1-c1ccc(F)cc1 ZINC000851625752 1136396833 /nfs/dbraw/zinc/39/68/33/1136396833.db2.gz UTMXVRLJCDPKBY-KSSFIOAISA-N -1 0 347.411 3.927 20 0 EHADRM Cc1ccc([C@H](C)Nc2cc(C(F)(F)F)c(C(=O)[O-])nn2)c(C)c1 ZINC001170726907 1136403267 /nfs/dbraw/zinc/40/32/67/1136403267.db2.gz XPJNPJKIBZIRQS-JTQLQIEISA-N -1 0 339.317 3.984 20 0 EHADRM O=C([O-])CCN(C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)C1CC1 ZINC000776609983 1136471010 /nfs/dbraw/zinc/47/10/10/1136471010.db2.gz FCTWQDQTMWCNOK-UHFFFAOYSA-N -1 0 341.194 3.554 20 0 EHADRM CC1CCN(c2ccc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc2)CC1 ZINC000852946604 1136493767 /nfs/dbraw/zinc/49/37/67/1136493767.db2.gz XYYYNNZGCSWLOO-MRXNPFEDSA-N -1 0 332.444 3.608 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCCC1CCCC1)c1ccc(F)cc1F ZINC000776660448 1136528868 /nfs/dbraw/zinc/52/88/68/1136528868.db2.gz WKSQQRZNIKODSP-INIZCTEOSA-N -1 0 339.382 3.957 20 0 EHADRM CC(C)CCC(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000112159054 1136608467 /nfs/dbraw/zinc/60/84/67/1136608467.db2.gz DHRMSZLKMFWQML-UHFFFAOYSA-N -1 0 331.437 3.595 20 0 EHADRM CCc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc([O-])c(Cl)c1 ZINC000854607291 1136631392 /nfs/dbraw/zinc/63/13/92/1136631392.db2.gz RXKCTBOERVROQJ-NSHDSACASA-N -1 0 347.798 3.792 20 0 EHADRM C[C@]1(CC(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)CC1(Cl)Cl ZINC000854644132 1136634130 /nfs/dbraw/zinc/63/41/30/1136634130.db2.gz GAVKHDREJMTIJI-AWEZNQCLSA-N -1 0 340.210 3.695 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)n1 ZINC001135308693 1136656562 /nfs/dbraw/zinc/65/65/62/1136656562.db2.gz JXLRVDWCTBKVHF-NJZAAPMLSA-N -1 0 345.418 3.580 20 0 EHADRM CCc1oc(C(=O)[N-]S(=O)(=O)[C@@H](c2ccccc2)C(C)C)cc1C ZINC000816107776 1136671160 /nfs/dbraw/zinc/67/11/60/1136671160.db2.gz QARJMAUHYREWFU-QGZVFWFLSA-N -1 0 349.452 3.607 20 0 EHADRM O=C(NC1CCCCCCC1)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC001135373594 1136671390 /nfs/dbraw/zinc/67/13/90/1136671390.db2.gz UUPPMDRFMDQKQT-UHFFFAOYSA-N -1 0 331.391 3.560 20 0 EHADRM Cc1cccc(C(=O)[N-]S(=O)(=O)[C@@H](c2ccccc2)C(C)C)c1C ZINC000816113080 1136677626 /nfs/dbraw/zinc/67/76/26/1136677626.db2.gz KBEACABBXQHQON-GOSISDBHSA-N -1 0 345.464 3.760 20 0 EHADRM O=C(Nc1ccccc1F)c1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC001135566385 1136714547 /nfs/dbraw/zinc/71/45/47/1136714547.db2.gz ZIXVPADIVFUGGZ-UHFFFAOYSA-N -1 0 338.338 3.763 20 0 EHADRM Cc1ccc(NC(=O)c2ncc(Br)cc2[O-])cc1Cl ZINC001135687485 1136752316 /nfs/dbraw/zinc/75/23/16/1136752316.db2.gz SXRFUXKUZKCENC-UHFFFAOYSA-N -1 0 341.592 3.764 20 0 EHADRM CC[C@H](C)CO[N-]C(=O)C1(c2ccc(OC)c(OC)c2)CCCC1 ZINC000816975523 1136769369 /nfs/dbraw/zinc/76/93/69/1136769369.db2.gz JPYRCMOZAHXRQH-AWEZNQCLSA-N -1 0 335.444 3.610 20 0 EHADRM C[C@@H](NC(=O)c1cccc(Cl)c1[O-])[C@H]1OCCc2sccc21 ZINC000817051748 1136772486 /nfs/dbraw/zinc/77/24/86/1136772486.db2.gz PNUBTADWDIXNPP-RFAUZJTJSA-N -1 0 337.828 3.539 20 0 EHADRM CC1(C)C[C@H]1C(=O)N1CCC([C@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000856928693 1136824855 /nfs/dbraw/zinc/82/48/55/1136824855.db2.gz BUVSHZZJJXPREC-SJORKVTESA-N -1 0 329.440 3.530 20 0 EHADRM CCc1ccc(O)c(C(=O)N(OC)[C@@H]2CCCOc3ccccc32)c1 ZINC000857470029 1136874743 /nfs/dbraw/zinc/87/47/43/1136874743.db2.gz AXSGYUWMVOWGFW-QGZVFWFLSA-N -1 0 341.407 3.872 20 0 EHADRM O=C([N-]Cc1c(F)cc(F)cc1F)C(F)(F)c1ccccc1F ZINC000818517395 1136878856 /nfs/dbraw/zinc/87/88/56/1136878856.db2.gz ZYWBWFFOAHJFLI-UHFFFAOYSA-N -1 0 333.231 3.651 20 0 EHADRM COc1cccc([C@H](C)NC(=O)c2ccc3oc(=S)[n-]c3c2)c1 ZINC001136178577 1136899793 /nfs/dbraw/zinc/89/97/93/1136899793.db2.gz ZJNOOILJZSEJLM-JTQLQIEISA-N -1 0 328.393 3.616 20 0 EHADRM CCc1ccc(C(=O)Nc2ccccc2[C@H](O)c2ccccn2)c(O)c1 ZINC000819602112 1136953147 /nfs/dbraw/zinc/95/31/47/1136953147.db2.gz WBBBABVLPCYDRE-FQEVSTJZSA-N -1 0 348.402 3.684 20 0 EHADRM CCc1ccc(C(=O)Nc2ccccc2[C@@H](O)c2ccccn2)c(O)c1 ZINC000819602113 1136953190 /nfs/dbraw/zinc/95/31/90/1136953190.db2.gz WBBBABVLPCYDRE-HXUWFJFHSA-N -1 0 348.402 3.684 20 0 EHADRM CON(C(=O)c1cc(F)c(F)c([O-])c1F)[C@H](C)c1ccccc1C ZINC000820040597 1136974461 /nfs/dbraw/zinc/97/44/61/1136974461.db2.gz YTOSCRVOMUYPOV-SNVBAGLBSA-N -1 0 339.313 3.883 20 0 EHADRM CC(C)c1ccccc1C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000820463805 1136994017 /nfs/dbraw/zinc/99/40/17/1136994017.db2.gz IGPKMQDTMXHGIP-UHFFFAOYSA-N -1 0 341.436 3.793 20 0 EHADRM C[C@H]1CCCCN1C(=O)c1ccc(NCCC(C)(C)C(=O)[O-])cc1 ZINC000859799875 1137031098 /nfs/dbraw/zinc/03/10/98/1137031098.db2.gz VEUXIJJWOXXJOE-AWEZNQCLSA-N -1 0 332.444 3.614 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 ZINC000821853212 1137040339 /nfs/dbraw/zinc/04/03/39/1137040339.db2.gz VKYHXXHXYVWZOJ-GHXNOFRVSA-N -1 0 347.370 3.955 20 0 EHADRM Cc1csc(CCCNC(=O)c2cc(Cl)cc(Cl)c2[O-])n1 ZINC001136552608 1137051960 /nfs/dbraw/zinc/05/19/60/1137051960.db2.gz ZGCCYTNKCFFQGS-UHFFFAOYSA-N -1 0 345.251 3.827 20 0 EHADRM CCC[C@@H]1CCCC[C@@H]1NC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC001136622737 1137072172 /nfs/dbraw/zinc/07/21/72/1137072172.db2.gz RIXZOAQEXASOLT-ZBFHGGJFSA-N -1 0 327.428 3.667 20 0 EHADRM CCC1(CC)CN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])C1 ZINC000823172997 1137090011 /nfs/dbraw/zinc/09/00/11/1137090011.db2.gz ACEHLZSQFRXKDA-UHFFFAOYSA-N -1 0 327.380 3.727 20 0 EHADRM C/C(=C\C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1cccc(Cl)c1 ZINC000823855306 1137116686 /nfs/dbraw/zinc/11/66/86/1137116686.db2.gz MVYSQDXTOOGNJM-UELRPHRMSA-N -1 0 335.831 3.847 20 0 EHADRM O=C([N-]OCCC1CC1)C(=O)Nc1cccc(C2CCCCC2)c1 ZINC000861871444 1137123085 /nfs/dbraw/zinc/12/30/85/1137123085.db2.gz PIYUURSJBUJMGY-UHFFFAOYSA-N -1 0 330.428 3.521 20 0 EHADRM Cc1cccc(OCCN(C)C(=O)c2ccc3[n-]c(=S)oc3c2)c1 ZINC000118776336 1137131498 /nfs/dbraw/zinc/13/14/98/1137131498.db2.gz LEASXTYZTDVHBZ-UHFFFAOYSA-N -1 0 342.420 3.576 20 0 EHADRM Cc1ccc(NC(=O)c2cc(F)cc(F)c2[O-])cc1OC(F)F ZINC001136887620 1137142244 /nfs/dbraw/zinc/14/22/44/1137142244.db2.gz WUSPXUMDFBVYSU-UHFFFAOYSA-N -1 0 329.249 3.833 20 0 EHADRM Cc1cnc(C(=O)Nc2cc(F)ccc2SCC(F)F)c([O-])c1 ZINC001136922046 1137147904 /nfs/dbraw/zinc/14/79/04/1137147904.db2.gz VJSHYCNCJGPBFP-UHFFFAOYSA-N -1 0 342.342 3.844 20 0 EHADRM CC(C)(C(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1)C1CC1 ZINC000805881339 1137156905 /nfs/dbraw/zinc/15/69/05/1137156905.db2.gz ZYSVVWPGQZCFAW-UHFFFAOYSA-N -1 0 343.448 3.595 20 0 EHADRM CCCOc1ccc([N-]S(=O)(=O)c2sccc2OC)cc1C ZINC000863427556 1137185720 /nfs/dbraw/zinc/18/57/20/1137185720.db2.gz BMKMHIRKYJINTO-UHFFFAOYSA-N -1 0 341.454 3.655 20 0 EHADRM CCCO[N-]C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000844084689 1137196628 /nfs/dbraw/zinc/19/66/28/1137196628.db2.gz XMDDLIVHXPRADZ-UHFFFAOYSA-N -1 0 344.358 3.829 20 0 EHADRM O=C(Nc1cc(-c2ccccc2)[nH]n1)c1ccc2oc(=S)[n-]c2c1 ZINC001143768252 1137197045 /nfs/dbraw/zinc/19/70/45/1137197045.db2.gz GMFBFGFZLDQQDS-UHFFFAOYSA-N -1 0 336.376 3.759 20 0 EHADRM C[C@H](Cc1ccccc1Cl)NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000844151683 1137199849 /nfs/dbraw/zinc/19/98/49/1137199849.db2.gz CQDJAAOJLHTGJC-IYXRBSQSSA-N -1 0 337.847 3.668 20 0 EHADRM CC(C)CCCCCC(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC000844157384 1137202619 /nfs/dbraw/zinc/20/26/19/1137202619.db2.gz POBGRSNWHQBNRL-UHFFFAOYSA-N -1 0 332.444 3.880 20 0 EHADRM C[C@@]1(CCNC(=O)CC2(C(=O)[O-])CCCCCC2)C[C@]1(F)Cl ZINC000844268867 1137207413 /nfs/dbraw/zinc/20/74/13/1137207413.db2.gz SEPYTFYPDLYQMP-GDBMZVCRSA-N -1 0 333.831 3.623 20 0 EHADRM Cc1ccncc1[C@H](C)[NH2+]Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000794571160 1137208048 /nfs/dbraw/zinc/20/80/48/1137208048.db2.gz YFHZUXWWYCONMY-NSHDSACASA-N -1 0 344.798 3.706 20 0 EHADRM O=C([O-])CCCCNC(=O)Cc1coc2c1ccc(Cl)c2Cl ZINC000864120776 1137216013 /nfs/dbraw/zinc/21/60/13/1137216013.db2.gz MYIFDUYIMCGPCJ-UHFFFAOYSA-N -1 0 344.194 3.653 20 0 EHADRM CCc1cc2c(CC(=O)NCc3ccc(C(=O)[O-])o3)csc2s1 ZINC000864123363 1137216332 /nfs/dbraw/zinc/21/63/32/1137216332.db2.gz MUTQLDAZKJBXKT-UHFFFAOYSA-N -1 0 349.433 3.675 20 0 EHADRM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC000864139506 1137216863 /nfs/dbraw/zinc/21/68/63/1137216863.db2.gz KLIMMGGWSGRXAB-QKPAOTATSA-N -1 0 349.858 3.649 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000864137202 1137216966 /nfs/dbraw/zinc/21/69/66/1137216966.db2.gz PKVJNXAJVMXXSL-GJJFQZOLSA-N -1 0 343.354 3.665 20 0 EHADRM CCC[C@H](OCC)C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC000864149049 1137217106 /nfs/dbraw/zinc/21/71/06/1137217106.db2.gz HLUBPXQJZFHHLV-KRWDZBQOSA-N -1 0 348.443 3.519 20 0 EHADRM COc1cc(C)cc(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c1C ZINC000864148825 1137217182 /nfs/dbraw/zinc/21/71/82/1137217182.db2.gz KHEUFHKVIKUFJE-GFCCVEGCSA-N -1 0 327.380 3.752 20 0 EHADRM CC(C)(CC(=O)Nc1ccc(CC(=O)[O-])c(F)c1)c1ccc(F)cc1 ZINC000864149444 1137217191 /nfs/dbraw/zinc/21/71/91/1137217191.db2.gz LIDCJZBTOUWEHT-UHFFFAOYSA-N -1 0 347.361 3.898 20 0 EHADRM CSCCCCCCC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000864156163 1137217352 /nfs/dbraw/zinc/21/73/52/1137217352.db2.gz ZHEZUCSCXUSROP-JYJNAYRXSA-N -1 0 341.517 3.792 20 0 EHADRM Cc1ccc([C@H]2CCN(C(=O)/C=C\c3ccc(C(=O)[O-])o3)C2)c(C)c1 ZINC000864158533 1137217561 /nfs/dbraw/zinc/21/75/61/1137217561.db2.gz MXUGFVJRUVBBJR-KKTNHOPESA-N -1 0 339.391 3.624 20 0 EHADRM CCc1cc(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)sc1-c1ccccc1 ZINC000864167661 1137217563 /nfs/dbraw/zinc/21/75/63/1137217563.db2.gz IYTYEFYVRYBACG-HNNXBMFYSA-N -1 0 341.432 3.881 20 0 EHADRM C[C@@H]1CN(C(=O)/C=C\c2ccc(F)c3ccccc23)C[C@@]1(C)C(=O)[O-] ZINC000864179168 1137218196 /nfs/dbraw/zinc/21/81/96/1137218196.db2.gz KHLDHYFKJATKGP-BAUKPQGGSA-N -1 0 341.382 3.561 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N[C@H]2CCc3ccc(Cl)cc32)cc1 ZINC000864178707 1137218218 /nfs/dbraw/zinc/21/82/18/1137218218.db2.gz KDNMFNWAZMDOCX-KRWDZBQOSA-N -1 0 343.810 3.775 20 0 EHADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1(c3cccc(Cl)c3)CCCC1)C2 ZINC000864208957 1137218854 /nfs/dbraw/zinc/21/88/54/1137218854.db2.gz SRYVETTXERIUDB-WTANOLMUSA-N -1 0 347.842 3.521 20 0 EHADRM C[C@@H](C(=O)N[C@@](C)(CC(=O)[O-])C1CC1)c1c(Cl)cccc1Cl ZINC000864200207 1137218930 /nfs/dbraw/zinc/21/89/30/1137218930.db2.gz TUHPIYOHJCZNRC-ABKXIKBNSA-N -1 0 344.238 3.857 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCC(Cc2ccccc2Cl)CC1 ZINC000864216581 1137219031 /nfs/dbraw/zinc/21/90/31/1137219031.db2.gz ITBBAHPTRJRDCS-CYBMUJFWSA-N -1 0 337.847 3.622 20 0 EHADRM CCC(CC)(C(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000864210516 1137219159 /nfs/dbraw/zinc/21/91/59/1137219159.db2.gz NYYJNYYSJCYGTC-ZBQZNYHESA-N -1 0 349.858 3.767 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)N[C@@H]2C[C@H]3C[C@@]3(C(=O)[O-])C2)cc1 ZINC000864210632 1137219219 /nfs/dbraw/zinc/21/92/19/1137219219.db2.gz NXAGNBXWLKHRIF-OFKAZSLSSA-N -1 0 327.424 3.583 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)[C@H]2CSc3ccccc32)c1 ZINC000864229928 1137219323 /nfs/dbraw/zinc/21/93/23/1137219323.db2.gz OUXVUUICIAJFJG-HOTGVXAUSA-N -1 0 341.432 3.517 20 0 EHADRM CC(C)(C)c1csc(CN[C@@]2(C(=O)[O-])CCc3c2cccc3F)n1 ZINC000864511149 1137231068 /nfs/dbraw/zinc/23/10/68/1137231068.db2.gz PWQTVZWFFMATDT-SFHVURJKSA-N -1 0 348.443 3.596 20 0 EHADRM O=C([O-])C12CCC(CC1)N2C(=O)Nc1ccc(SC(F)F)cc1 ZINC000864581653 1137235306 /nfs/dbraw/zinc/23/53/06/1137235306.db2.gz ZDTMBLSRVCMHBE-UHFFFAOYSA-N -1 0 342.367 3.615 20 0 EHADRM C/C(=C\c1ccc(-c2cccc(CO[C@@H]3CCOC3)c2)o1)C(=O)[O-] ZINC000864608724 1137236433 /nfs/dbraw/zinc/23/64/33/1137236433.db2.gz MGZDXGYFNSTIDY-JZUUQJBKSA-N -1 0 328.364 3.740 20 0 EHADRM COc1cc(NC(=O)c2ccc(Cl)c([O-])c2)cc(Cl)c1OC ZINC001144113002 1137239546 /nfs/dbraw/zinc/23/95/46/1137239546.db2.gz ZRDAZNVSEWWFMF-UHFFFAOYSA-N -1 0 342.178 3.969 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cnc(Cl)c(C)c2)c1 ZINC000120368820 1137262033 /nfs/dbraw/zinc/26/20/33/1137262033.db2.gz LCMXPJJWXNUGRM-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM O=C([N-]S(=O)(=O)c1csc2ccccc21)[C@@H]1C[C@@H]1C1CCCC1 ZINC000845567640 1137298200 /nfs/dbraw/zinc/29/82/00/1137298200.db2.gz YOZJNSGAOHPWJW-ZIAGYGMSSA-N -1 0 349.477 3.533 20 0 EHADRM Cc1c(NC(=O)c2cc(F)c([O-])c(F)c2)cnn1-c1ccc(F)cc1 ZINC001144788616 1137348662 /nfs/dbraw/zinc/34/86/62/1137348662.db2.gz YPSBDICNYLQKMO-UHFFFAOYSA-N -1 0 347.296 3.556 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N[C@H](C)c1ccccc1C(F)(F)F ZINC000846705225 1137362767 /nfs/dbraw/zinc/36/27/67/1137362767.db2.gz HNGUDHGJRGYJCD-SNVBAGLBSA-N -1 0 331.334 3.774 20 0 EHADRM O=C(CCSc1ccccn1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000121132451 1137367828 /nfs/dbraw/zinc/36/78/28/1137367828.db2.gz HCLSMGUOVUFODQ-UHFFFAOYSA-N -1 0 331.422 3.632 20 0 EHADRM O=S(=O)([N-]c1cccnc1-c1ccccc1)c1cccc(F)c1 ZINC000339077451 1137385752 /nfs/dbraw/zinc/38/57/52/1137385752.db2.gz NIDPEFQSVCHXEI-UHFFFAOYSA-N -1 0 328.368 3.689 20 0 EHADRM CC(C)(CNS(=O)(=O)c1ccccc1C(F)(F)F)C(C)(F)F ZINC000867788126 1137386242 /nfs/dbraw/zinc/38/62/42/1137386242.db2.gz TUZRBTPLMYFATI-UHFFFAOYSA-N -1 0 345.333 3.665 20 0 EHADRM C[C@H]1CC2(CCC2)CN1C(=O)c1cc(Br)cc(F)c1[O-] ZINC000867818038 1137386954 /nfs/dbraw/zinc/38/69/54/1137386954.db2.gz BCNUFJSELYRHQE-VIFPVBQESA-N -1 0 342.208 3.699 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)c2cc(C(C)C)oc2C)c(C)s1 ZINC000796917491 1137391866 /nfs/dbraw/zinc/39/18/66/1137391866.db2.gz LGOXFNSBDSWZSZ-UHFFFAOYSA-N -1 0 341.454 3.508 20 0 EHADRM CCCCC[C@@H](C(=O)Nc1ccc(OCc2nnn[n-]2)cc1)C(C)C ZINC001147001295 1137398008 /nfs/dbraw/zinc/39/80/08/1137398008.db2.gz ZGPQLZINNKDMBS-MRXNPFEDSA-N -1 0 345.447 3.570 20 0 EHADRM CC(C)CCCCNC(=O)c1cc(Br)cc(F)c1[O-] ZINC001147484986 1137408395 /nfs/dbraw/zinc/40/83/95/1137408395.db2.gz QYEUYEYFIHRFDR-UHFFFAOYSA-N -1 0 332.213 3.850 20 0 EHADRM O=C(NCc1ccc(Cl)c(Cl)c1)c1cc(F)cc(F)c1[O-] ZINC001147649932 1137411062 /nfs/dbraw/zinc/41/10/62/1137411062.db2.gz VXOIVLSJLUTJFJ-UHFFFAOYSA-N -1 0 332.133 3.907 20 0 EHADRM CC[C@H](C)C[C@H](C)NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC001147862966 1137414552 /nfs/dbraw/zinc/41/45/52/1137414552.db2.gz ZFLHVBOXVLOLDX-AAEUAGOBSA-N -1 0 333.407 3.580 20 0 EHADRM CC1(C)CCCN(C(=O)c2cc(Br)c(F)cc2[O-])CC1 ZINC001148371619 1137423348 /nfs/dbraw/zinc/42/33/48/1137423348.db2.gz OMHSDJPBQUHKLS-UHFFFAOYSA-N -1 0 344.224 3.946 20 0 EHADRM O=C(N[C@H](c1ccc(F)cc1F)C1CC1)c1cc(F)cc(F)c1[O-] ZINC001148377838 1137423647 /nfs/dbraw/zinc/42/36/47/1137423647.db2.gz ASASZFSMHDMAIO-HNNXBMFYSA-N -1 0 339.288 3.830 20 0 EHADRM O=C(NCc1ccc2c(c1)CCO2)c1cc(Cl)cc(Cl)c1[O-] ZINC001148811311 1137435485 /nfs/dbraw/zinc/43/54/85/1137435485.db2.gz GPZFYDWVBBSINM-UHFFFAOYSA-N -1 0 338.190 3.564 20 0 EHADRM CC(C)OCCO[N-]C(=O)C1(c2cccc(Cl)c2)CCCC1 ZINC000795069959 1137447447 /nfs/dbraw/zinc/44/74/47/1137447447.db2.gz TYAWNYDEQJJLDQ-UHFFFAOYSA-N -1 0 325.836 3.625 20 0 EHADRM CC1(C)CN(C(=O)c2ccc3[n-]c(=S)oc3c2)[C@@H]1c1ccco1 ZINC000869788237 1137466090 /nfs/dbraw/zinc/46/60/90/1137466090.db2.gz NYZIQMWZIYQDMP-CQSZACIVSA-N -1 0 328.393 3.933 20 0 EHADRM O=C(CSc1nccc2ccccc21)[N-]OCCCC(F)(F)F ZINC000871212733 1137527410 /nfs/dbraw/zinc/52/74/10/1137527410.db2.gz AYOMBTGPPVDAMH-UHFFFAOYSA-N -1 0 344.358 3.717 20 0 EHADRM O=C(c1s[n-]c(=O)c1Cl)N1CCC[C@](F)(c2ccccc2)C1 ZINC000871371143 1137539971 /nfs/dbraw/zinc/53/99/71/1137539971.db2.gz UMDFATZFWYDQBD-OAHLLOKOSA-N -1 0 340.807 3.603 20 0 EHADRM Cc1c(-c2cccs2)[n-]n(-c2ncnc(Cl)c2C(C)C)c1=O ZINC000871957135 1137563729 /nfs/dbraw/zinc/56/37/29/1137563729.db2.gz OJLGONWEINSXHW-SECBINFHSA-N -1 0 334.832 3.702 20 0 EHADRM O=c1cc(-c2ccc(Cl)cc2)[n-]n1[C@@H]1CCOC2(CCCC2)C1 ZINC000871964569 1137563864 /nfs/dbraw/zinc/56/38/64/1137563864.db2.gz SYVSFHCMYXOXSS-OAHLLOKOSA-N -1 0 332.831 3.768 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)noc1C(C)(C)C ZINC000872007618 1137564310 /nfs/dbraw/zinc/56/43/10/1137564310.db2.gz UQBDSCQXESCCNT-UHFFFAOYSA-N -1 0 346.811 3.874 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cc(C)ccc2F)noc1C(C)(C)C ZINC000872007073 1137564313 /nfs/dbraw/zinc/56/43/13/1137564313.db2.gz JHUPPRONZMMGAP-UHFFFAOYSA-N -1 0 326.393 3.529 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2noc3c2CC(C)(C)CC3)c1 ZINC000872730036 1137583291 /nfs/dbraw/zinc/58/32/91/1137583291.db2.gz FYTPOPPQBHZXCY-NSHDSACASA-N -1 0 342.395 3.630 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)c1sccc1C(F)F)C2 ZINC000872736740 1137583428 /nfs/dbraw/zinc/58/34/28/1137583428.db2.gz DRLFSYVHGJFYHY-UHFFFAOYSA-N -1 0 337.347 3.582 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)N2CC[C@]3(C(=O)[O-])CCC[C@H]23)c1 ZINC000872766608 1137584119 /nfs/dbraw/zinc/58/41/19/1137584119.db2.gz NXHVOBKHXBVQQA-FXAWDEMLSA-N -1 0 343.423 3.501 20 0 EHADRM CCO[C@@H]1C[C@@H](NC(=O)c2ccc3oc(=S)[n-]c3c2)C1(CC)CC ZINC001137062867 1137584585 /nfs/dbraw/zinc/58/45/85/1137584585.db2.gz GJXQWVXYHIDXQT-HUUCEWRRSA-N -1 0 348.468 3.830 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H]1C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC000872884735 1137586065 /nfs/dbraw/zinc/58/60/65/1137586065.db2.gz YNRRQJWKZKKSTN-GHMZBOCLSA-N -1 0 333.331 3.738 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[C@](C)(CC)CC(=O)[O-])c1nc2ccccc2[nH]1 ZINC000872906366 1137586376 /nfs/dbraw/zinc/58/63/76/1137586376.db2.gz AEPSJTCLAFNVTF-XGINMYPSSA-N -1 0 345.443 3.657 20 0 EHADRM CC(C)n1ncc2ccc(NC(=O)C3=C(C(=O)[O-])CCCC3)cc21 ZINC000872915522 1137586442 /nfs/dbraw/zinc/58/64/42/1137586442.db2.gz KAIPGNDWOYCAPK-UHFFFAOYSA-N -1 0 327.384 3.511 20 0 EHADRM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C(C)(C)SCC(=O)[O-] ZINC000872918750 1137586636 /nfs/dbraw/zinc/58/66/36/1137586636.db2.gz VMLMCJDODYCOQN-JKSUJKDBSA-N -1 0 349.496 3.768 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)N1CC(C)(C)C[C@@H]1c1ccccc1 ZINC000872978752 1137587480 /nfs/dbraw/zinc/58/74/80/1137587480.db2.gz SCOWGRRBWXZFDF-CQSZACIVSA-N -1 0 335.469 3.583 20 0 EHADRM CC(C)C[C@](C)(CC(=O)[O-])C(=O)N[C@@H](C)c1cc2cnccc2o1 ZINC000873001784 1137587781 /nfs/dbraw/zinc/58/77/81/1137587781.db2.gz UTJORJLUACSSNR-KPZWWZAWSA-N -1 0 332.400 3.532 20 0 EHADRM CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1ccc(C)c(-c2ccsc2)c1 ZINC000873891322 1137607750 /nfs/dbraw/zinc/60/77/50/1137607750.db2.gz KOJYZLZCOXKNFQ-GFCCVEGCSA-N -1 0 346.452 3.756 20 0 EHADRM CN(CC1CCCC1)C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000874249463 1137611998 /nfs/dbraw/zinc/61/19/98/1137611998.db2.gz MXMUVXKLZQJSMK-UHFFFAOYSA-N -1 0 327.380 3.727 20 0 EHADRM O=Cc1cccc(-c2ccc(C(=O)Nc3ccc(CC(=O)[O-])cc3)o2)c1 ZINC000874971980 1137627308 /nfs/dbraw/zinc/62/73/08/1137627308.db2.gz HHYJKTIOBTZOOH-UHFFFAOYSA-N -1 0 349.342 3.639 20 0 EHADRM CCO[C@H](C)c1nc(C2([N-]C(=O)C(F)(F)F)CCCC2)cs1 ZINC000829622523 1137635462 /nfs/dbraw/zinc/63/54/62/1137635462.db2.gz QNVLHKWKMKUYJU-SECBINFHSA-N -1 0 336.379 3.688 20 0 EHADRM CC[C@@H]1CCC[C@@]1(C)C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000878033151 1137700136 /nfs/dbraw/zinc/70/01/36/1137700136.db2.gz RZHMGZOVWUCWAU-PIGZYNQJSA-N -1 0 333.457 3.572 20 0 EHADRM CCCON=C([O-])Nc1nnc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000880215193 1137771246 /nfs/dbraw/zinc/77/12/46/1137771246.db2.gz WDOQIKDCECLEEH-UHFFFAOYSA-N -1 0 346.334 3.687 20 0 EHADRM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000130385918 1137836698 /nfs/dbraw/zinc/83/66/98/1137836698.db2.gz KPSDGFSQLCKNDW-UHFFFAOYSA-N -1 0 344.219 3.997 20 0 EHADRM CC(C)(C)c1nsc([N-]C(=O)c2ncsc2C(F)(F)F)n1 ZINC000282849213 1137878783 /nfs/dbraw/zinc/87/87/83/1137878783.db2.gz NRMMQNNGNBRDLN-UHFFFAOYSA-N -1 0 336.364 3.563 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)c(C)c1 ZINC000107972010 1137888380 /nfs/dbraw/zinc/88/83/80/1137888380.db2.gz XUTHDYOBNCKZQP-OWJWWREXSA-N -1 0 347.455 3.770 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)N[C@@H](C)c2cccs2)cc1 ZINC000108067809 1137888561 /nfs/dbraw/zinc/88/85/61/1137888561.db2.gz VJYZHTPSZGMDJX-XMHCIUCPSA-N -1 0 335.494 3.857 20 0 EHADRM CCC[C@H](NC(=O)N=c1[n-]nc(CC(C)C)s1)c1ccccc1 ZINC000348287100 1137899484 /nfs/dbraw/zinc/89/94/84/1137899484.db2.gz CCCMCQYPPRYLHP-AWEZNQCLSA-N -1 0 332.473 3.821 20 0 EHADRM CCCc1nc(=NC(=O)N2CCC[C@H]2c2cccc(C)c2)s[n-]1 ZINC000331512246 1137911016 /nfs/dbraw/zinc/91/10/16/1137911016.db2.gz JDYZJHUDRHUHBB-AWEZNQCLSA-N -1 0 330.457 3.590 20 0 EHADRM O=C(C=Cc1ccc(Cl)nc1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000133811141 1137916221 /nfs/dbraw/zinc/91/62/21/1137916221.db2.gz IDGVEFIJZYSJDF-QHHAFSJGSA-N -1 0 331.784 3.817 20 0 EHADRM C[C@H]1C[C@H](C)N(C(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)C1 ZINC000332141027 1137933234 /nfs/dbraw/zinc/93/32/34/1137933234.db2.gz FBVDVYTWXWNMNS-UWVGGRQHSA-N -1 0 336.848 3.543 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)nc(C(C)(C)C)n3C)o1 ZINC000332260843 1137937510 /nfs/dbraw/zinc/93/75/10/1137937510.db2.gz UXZKYOHDTQCIJI-UHFFFAOYSA-N -1 0 347.440 3.573 20 0 EHADRM CCN(C(=O)c1nn(-c2ccccc2)cc1[O-])[C@@H]1CCCC[C@H]1C ZINC000332666851 1137950750 /nfs/dbraw/zinc/95/07/50/1137950750.db2.gz OLPBHLGUWPNMEC-GDBMZVCRSA-N -1 0 327.428 3.619 20 0 EHADRM CC1(C)CN(C(=O)N=c2[n-]nc(-c3ccsc3)s2)[C@@H]2CCC[C@@H]21 ZINC000333048939 1137953805 /nfs/dbraw/zinc/95/38/05/1137953805.db2.gz BSBRTONFZMTHOH-NWDGAFQWSA-N -1 0 348.497 3.731 20 0 EHADRM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)N=c2ccc(C3CC3)n[n-]2)C1 ZINC000333237633 1137959041 /nfs/dbraw/zinc/95/90/41/1137959041.db2.gz VWEJBEYVJGFGJS-PXAZEXFGSA-N -1 0 340.402 3.530 20 0 EHADRM O=C(CSc1cc(Cl)ccc1Cl)[N-]OCC(F)(F)F ZINC000135213277 1137964780 /nfs/dbraw/zinc/96/47/80/1137964780.db2.gz NGUXTBMHQALKCG-UHFFFAOYSA-N -1 0 334.146 3.696 20 0 EHADRM O=C(c1s[n-]c(=O)c1Cl)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000885215557 1137988783 /nfs/dbraw/zinc/98/87/83/1137988783.db2.gz IKQJBPDTNYPNMD-LAUAKBEESA-N -1 0 334.828 3.820 20 0 EHADRM COc1ccc(N(C)C(=O)c2ccc3[n-]c(=S)oc3c2)cc1F ZINC000137729763 1138070106 /nfs/dbraw/zinc/07/01/06/1138070106.db2.gz RVCPZJAAJVFXAQ-UHFFFAOYSA-N -1 0 332.356 3.541 20 0 EHADRM Cc1ccc(N(C)C(=O)CSc2n[n-]c(=S)s2)cc1Cl ZINC000081727137 1138171139 /nfs/dbraw/zinc/17/11/39/1138171139.db2.gz ZYLXVRJYGDGKIX-UHFFFAOYSA-N -1 0 345.902 3.544 20 0 EHADRM CC(C)(NC(=O)[C@@H]1CCC[C@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000887315327 1138262723 /nfs/dbraw/zinc/26/27/23/1138262723.db2.gz RAAKHMGFYFAOHA-CHWSQXEVSA-N -1 0 343.345 3.558 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1ccc2c(c1)C=CC1(CCC1)O2 ZINC000887324057 1138265809 /nfs/dbraw/zinc/26/58/09/1138265809.db2.gz PXHZSVWSDVGLKL-NEPJUHHUSA-N -1 0 347.436 3.548 20 0 EHADRM CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2ccc(F)cc2[O-])c1 ZINC000123831170 1138275130 /nfs/dbraw/zinc/27/51/30/1138275130.db2.gz WSQUDOMRASPHKJ-XMMPIXPASA-N -1 0 349.427 3.831 20 0 EHADRM CCC[C@@H](NC(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1)C(=O)[O-] ZINC000887382644 1138294559 /nfs/dbraw/zinc/29/45/59/1138294559.db2.gz NNDLSKXKDYAUMO-GHMZBOCLSA-N -1 0 336.285 3.634 20 0 EHADRM C[C@](CC(=O)Nc1ccc2scnc2c1)(C(=O)[O-])c1ccccc1 ZINC000337716169 1138650721 /nfs/dbraw/zinc/65/07/21/1138650721.db2.gz RHLIJFDWZDZEMY-GOSISDBHSA-N -1 0 340.404 3.667 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(Cl)ccc(C)c3n2)cn1 ZINC000337746668 1138658121 /nfs/dbraw/zinc/65/81/21/1138658121.db2.gz DBYVRIRUJWBDRU-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc2ncccc2c1 ZINC000337758872 1138661203 /nfs/dbraw/zinc/66/12/03/1138661203.db2.gz IZKLGMBCXVCYPJ-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM CO[C@@H](C)c1nc(=Nc2cccc(Oc3ccncc3)c2)s[n-]1 ZINC000337934207 1138700851 /nfs/dbraw/zinc/70/08/51/1138700851.db2.gz DGDAXHZBOHEACG-NSHDSACASA-N -1 0 328.397 3.598 20 0 EHADRM CC(C)Sc1ccccc1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000348474567 1138819113 /nfs/dbraw/zinc/81/91/13/1138819113.db2.gz LZZXNDZHDFZMKD-UHFFFAOYSA-N -1 0 326.418 3.522 20 0 EHADRM CCc1cc2c(CN[C@@H](C)c3ncc(C)s3)cc(=O)oc2cc1O ZINC000175238770 1139474858 /nfs/dbraw/zinc/47/48/58/1139474858.db2.gz XJWBLJDKWYTSBP-NSHDSACASA-N -1 0 344.436 3.677 20 0 EHADRM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cccc2c1OCCO2 ZINC000180145594 1139812166 /nfs/dbraw/zinc/81/21/66/1139812166.db2.gz IGVRLOITOXZUJI-UHFFFAOYSA-N -1 0 347.436 3.690 20 0 EHADRM CCCCCC[C@](C)(NC(=O)[C@H]1C[C@H]1c1cccc(OC)c1)C(=O)[O-] ZINC000777372223 1139913860 /nfs/dbraw/zinc/91/38/60/1139913860.db2.gz OGYMKSBKAGVBEN-ZWOKBUDYSA-N -1 0 347.455 3.729 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000181652922 1139922238 /nfs/dbraw/zinc/92/22/38/1139922238.db2.gz ILWIZISPLROUQI-OAGGEKHMSA-N -1 0 343.448 3.882 20 0 EHADRM CC(C)(C)c1ccc(/C=C/C(=O)N2CCC(C)(C(=O)[O-])CC2)cc1 ZINC000777380391 1139965243 /nfs/dbraw/zinc/96/52/43/1139965243.db2.gz GKFGOMKIGHSOAH-JXMROGBWSA-N -1 0 329.440 3.711 20 0 EHADRM CCN(C(=O)c1cc(F)c([O-])c(F)c1)[C@H](C)c1cccc(OC)c1 ZINC000183402838 1140035583 /nfs/dbraw/zinc/03/55/83/1140035583.db2.gz CBLACVIDMSKARR-LLVKDONJSA-N -1 0 335.350 3.902 20 0 EHADRM CCC(CC)[C@H]1C[C@@H](NC(=O)c2ccc([O-])c(Cl)c2)CCO1 ZINC000183610678 1140050042 /nfs/dbraw/zinc/05/00/42/1140050042.db2.gz SMUIPAFTFBDBEY-XJKSGUPXSA-N -1 0 325.836 3.759 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000184511233 1140106992 /nfs/dbraw/zinc/10/69/92/1140106992.db2.gz HYDULRWVMIFGAH-AWEZNQCLSA-N -1 0 348.805 3.901 20 0 EHADRM COC(=O)[C@H]1CCC[C@@H](C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC000185470185 1140151444 /nfs/dbraw/zinc/15/14/44/1140151444.db2.gz JDSNQNUHXHBATL-BDAKNGLRSA-N -1 0 346.210 3.617 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000186404237 1140202054 /nfs/dbraw/zinc/20/20/54/1140202054.db2.gz JWPODYMLRSQMER-ZYHUDNBSSA-N -1 0 335.325 3.828 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000186404216 1140202086 /nfs/dbraw/zinc/20/20/86/1140202086.db2.gz JWPODYMLRSQMER-JQWIXIFHSA-N -1 0 335.325 3.828 20 0 EHADRM CCN(CC(F)F)C(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000186828116 1140223544 /nfs/dbraw/zinc/22/35/44/1140223544.db2.gz JCWVXDGVPRMEQM-UHFFFAOYSA-N -1 0 342.567 3.535 20 0 EHADRM CCC1(CC)CCN(C(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)CC1 ZINC000189233440 1140329685 /nfs/dbraw/zinc/32/96/85/1140329685.db2.gz HHJSOSWMXFOKTG-UHFFFAOYSA-N -1 0 341.455 3.516 20 0 EHADRM Cc1occc1S([O-])=CC(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000189621316 1140355883 /nfs/dbraw/zinc/35/58/83/1140355883.db2.gz JZPZPKLQAAIXHP-CYFREDJKSA-N -1 0 345.464 3.743 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N[C@H](C)CCC(=O)[O-] ZINC000191149689 1140439744 /nfs/dbraw/zinc/43/97/44/1140439744.db2.gz UOUNFEQJYHNXRV-LLVKDONJSA-N -1 0 325.364 3.878 20 0 EHADRM C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1cccc(Cl)c1[O-] ZINC000191876868 1140491304 /nfs/dbraw/zinc/49/13/04/1140491304.db2.gz PANSRMNPQTYTIG-NXEZZACHSA-N -1 0 342.823 3.533 20 0 EHADRM Cc1c(NC(=O)c2ccc3[n-]c(=S)oc3c2)cnn1C1CCCC1 ZINC000192992220 1140558750 /nfs/dbraw/zinc/55/87/50/1140558750.db2.gz SAHJGLKUQXARNR-UHFFFAOYSA-N -1 0 342.424 3.989 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(C)c(C)c2)cnn1C1CCCC1 ZINC000194221821 1140602789 /nfs/dbraw/zinc/60/27/89/1140602789.db2.gz WJCYJUMYNZHZDR-UHFFFAOYSA-N -1 0 333.457 3.724 20 0 EHADRM CC[C@@H](NC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1)c1ccncc1 ZINC000266496655 1140694974 /nfs/dbraw/zinc/69/49/74/1140694974.db2.gz WKMFTAIRUIDEEX-APWZRJJASA-N -1 0 332.444 3.710 20 0 EHADRM CC[C@H](C)[C@H]1CCCCN1C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000266804437 1140724559 /nfs/dbraw/zinc/72/45/59/1140724559.db2.gz BIWIPAJOHTVQDD-MAUKXSAKSA-N -1 0 341.455 3.515 20 0 EHADRM O=S(=O)(NCCCc1cccc(Cl)c1)c1cc(F)ccc1F ZINC000096743606 1140786744 /nfs/dbraw/zinc/78/67/44/1140786744.db2.gz HSKVOXSYDXDMIR-UHFFFAOYSA-N -1 0 345.798 3.529 20 0 EHADRM CCC1(CO)CCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CC1 ZINC000271016738 1141294518 /nfs/dbraw/zinc/29/45/18/1141294518.db2.gz ZYLBVJKZGBOIDR-UHFFFAOYSA-N -1 0 347.842 3.824 20 0 EHADRM O=C(c1s[n-]c(=O)c1Cl)N(Cc1ccc(F)cc1)CC1CC1 ZINC000283232808 1141576420 /nfs/dbraw/zinc/57/64/20/1141576420.db2.gz YZNQGHHUWROVNF-UHFFFAOYSA-N -1 0 340.807 3.694 20 0 EHADRM CCn1cc(S(=O)(=O)[N-]c2ccccc2SC(C)C)nc1C ZINC000348887597 1141604237 /nfs/dbraw/zinc/60/42/37/1141604237.db2.gz OIRYPYDIRLWBAP-UHFFFAOYSA-N -1 0 339.486 3.513 20 0 EHADRM CC(C=Cc1nc(C)c(CC(=O)[O-])c(=O)[nH]1)=Cc1ccc(Cl)cc1 ZINC000349113287 1141641309 /nfs/dbraw/zinc/64/13/09/1141641309.db2.gz QWFQRKXPGZSKJU-VSCQNNMLSA-N -1 0 344.798 3.888 20 0 EHADRM CC(C=Cc1nc(C)c(CC(=O)[O-])c(=O)[nH]1)=Cc1ccc(Cl)cc1 ZINC000349113286 1141641519 /nfs/dbraw/zinc/64/15/19/1141641519.db2.gz QWFQRKXPGZSKJU-NUWCDRESSA-N -1 0 344.798 3.888 20 0 EHADRM O=C([O-])COc1cccc(-c2nc(-c3ccccc3Cl)no2)c1 ZINC000022119948 202079809 /nfs/dbraw/zinc/07/98/09/202079809.db2.gz UGHRPNRXPWOAAW-UHFFFAOYSA-N -1 0 330.727 3.520 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000023371133 202102909 /nfs/dbraw/zinc/10/29/09/202102909.db2.gz FEGIMRDPFZCXGT-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM O=C([O-])c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC000037373196 202340730 /nfs/dbraw/zinc/34/07/30/202340730.db2.gz LAKPTMCUSSUIPI-UHFFFAOYSA-N -1 0 328.549 3.988 20 0 EHADRM Cc1c(NS(=O)(=O)c2ccc(CC(C)C)cc2)cccc1C(=O)[O-] ZINC000072089136 202364861 /nfs/dbraw/zinc/36/48/61/202364861.db2.gz KBYAHXOWISNBNS-UHFFFAOYSA-N -1 0 347.436 3.693 20 0 EHADRM Cc1ccc(NC(=O)c2sccc2Br)c(C(=O)[O-])c1 ZINC000070165589 203073649 /nfs/dbraw/zinc/07/36/49/203073649.db2.gz NQYYOBKOVDGDNB-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(C(=O)[O-])s2)cc1Br ZINC000070140332 203073895 /nfs/dbraw/zinc/07/38/95/203073895.db2.gz NOTDAUMWLDZFMX-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM O=S(=O)(Nc1ccc(Cl)c(F)c1)c1cccc(Cl)c1[O-] ZINC000550106607 450603172 /nfs/dbraw/zinc/60/31/72/450603172.db2.gz GDSWFFGMIARNDZ-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000828652872 601472653 /nfs/dbraw/zinc/47/26/53/601472653.db2.gz TXESRQBYDXZKLS-CYBMUJFWSA-N -1 0 335.256 3.923 20 0 EHADRM CC[C@H](C)Sc1ccc(NC(=O)N2CC[C@H](C(=O)[O-])C2)c(C)c1 ZINC000263511925 596910642 /nfs/dbraw/zinc/91/06/42/596910642.db2.gz YAQOOQYJVMOBCH-STQMWFEESA-N -1 0 336.457 3.824 20 0 EHADRM C[C@]1(c2ccccc2)CCN(C(=O)Nc2ccccc2CC(=O)[O-])C1 ZINC000818085346 596967508 /nfs/dbraw/zinc/96/75/08/596967508.db2.gz SQXXHEISLYTYFK-FQEVSTJZSA-N -1 0 338.407 3.509 20 0 EHADRM C[C@@H](NC(=O)Nc1ccccc1-c1nc2ccccc2s1)C(=O)[O-] ZINC000738976053 597076394 /nfs/dbraw/zinc/07/63/94/597076394.db2.gz CMZZTBSXCOWLCR-SNVBAGLBSA-N -1 0 341.392 3.558 20 0 EHADRM CC(C)C[C@H](C)N(C(=O)CSCC(=O)[O-])c1ccc2[nH]ccc2c1 ZINC000738804636 597091445 /nfs/dbraw/zinc/09/14/45/597091445.db2.gz KKWOKXRXUQHFDS-ZDUSSCGKSA-N -1 0 348.468 3.753 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2ccccc2SC(F)(F)F)C1 ZINC000390454301 597100824 /nfs/dbraw/zinc/10/08/24/597100824.db2.gz CDELXAROSVQPJK-JTQLQIEISA-N -1 0 347.358 3.625 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)Nc2ccc(OC3CCCC3)cc2)C1 ZINC000569204476 597116877 /nfs/dbraw/zinc/11/68/77/597116877.db2.gz KHNLAUQGLCEBAO-CQSZACIVSA-N -1 0 346.427 3.727 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)Nc2cc(C(F)(F)F)ccc2F)C1 ZINC000325095040 597119377 /nfs/dbraw/zinc/11/93/77/597119377.db2.gz OIBMVTJRZZSIRN-SECBINFHSA-N -1 0 348.296 3.563 20 0 EHADRM CC(C)(C)OCc1ccc(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000817814593 597122418 /nfs/dbraw/zinc/12/24/18/597122418.db2.gz BXINFOFIFCJVQM-HNNXBMFYSA-N -1 0 348.443 3.720 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000738623191 597190610 /nfs/dbraw/zinc/19/06/10/597190610.db2.gz CTHPLHSQRORGEM-AAEUAGOBSA-N -1 0 344.333 3.556 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000738262494 597196549 /nfs/dbraw/zinc/19/65/49/597196549.db2.gz ACPVEXZKPANLCJ-GOSISDBHSA-N -1 0 338.407 3.991 20 0 EHADRM CCOc1cccc([C@@H](C)NC(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000737887136 597201544 /nfs/dbraw/zinc/20/15/44/597201544.db2.gz VDDUIMPGUPDLCB-CYBMUJFWSA-N -1 0 342.395 3.595 20 0 EHADRM CC[C@@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)c1cc(F)ccc1F ZINC000737783670 597204452 /nfs/dbraw/zinc/20/44/52/597204452.db2.gz NUDHLPQQFLCXHH-MRXNPFEDSA-N -1 0 348.349 3.865 20 0 EHADRM CC(C)(C)c1csc(C[S@](=O)Cc2ccc(C(=O)[O-])cc2)n1 ZINC000817818127 597285312 /nfs/dbraw/zinc/28/53/12/597285312.db2.gz DSMTVNONFRRBPM-JOCHJYFZSA-N -1 0 337.466 3.588 20 0 EHADRM O=C([O-])c1ccc(C[S@@](=O)Cc2csc(C3CCCC3)n2)cc1 ZINC000819691169 597286996 /nfs/dbraw/zinc/28/69/96/597286996.db2.gz DKHITQYRNUWVDF-HSZRJFAPSA-N -1 0 349.477 3.948 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000737784653 597316454 /nfs/dbraw/zinc/31/64/54/597316454.db2.gz WUQPQJOVPYTSMZ-INIZCTEOSA-N -1 0 329.421 3.823 20 0 EHADRM CC[C@H](CNC(=O)Nc1ccccc1CC(=O)[O-])c1ccccc1 ZINC000818140559 597321148 /nfs/dbraw/zinc/32/11/48/597321148.db2.gz IIZIKMALJALYKG-CQSZACIVSA-N -1 0 326.396 3.629 20 0 EHADRM Cc1c(C(=O)Nc2ccccc2CC(=O)[O-])cnn1C1CCCCC1 ZINC000263572314 597671306 /nfs/dbraw/zinc/67/13/06/597671306.db2.gz KURVPTNYILVVFL-UHFFFAOYSA-N -1 0 341.411 3.576 20 0 EHADRM Cc1cc(C(=O)NCCCCC(=O)[O-])c(C)n1[C@@H](C)c1ccccc1 ZINC000237637131 598168255 /nfs/dbraw/zinc/16/82/55/598168255.db2.gz LNHGTWKDOPXWPS-HNNXBMFYSA-N -1 0 342.439 3.699 20 0 EHADRM Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccccc2C(=O)[O-])s1 ZINC000821165819 598179817 /nfs/dbraw/zinc/17/98/17/598179817.db2.gz WCOIOVPNIRADFX-JTQLQIEISA-N -1 0 333.413 3.683 20 0 EHADRM Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccccc1C(=O)[O-] ZINC000681680083 598180695 /nfs/dbraw/zinc/18/06/95/598180695.db2.gz XYUOWOPSBJPGKR-UHFFFAOYSA-N -1 0 342.376 3.591 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c(F)c1 ZINC000392175956 599703601 /nfs/dbraw/zinc/70/36/01/599703601.db2.gz TVCQVCWWKTZNMH-UHFFFAOYSA-N -1 0 345.223 3.934 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCCc2c[nH]c3ccccc23)c(F)c1 ZINC000327442676 599704686 /nfs/dbraw/zinc/70/46/86/599704686.db2.gz RJOLUZPLKNXYAN-UHFFFAOYSA-N -1 0 340.354 3.967 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)NCCCn1ccc2ccccc21 ZINC000740047527 599706949 /nfs/dbraw/zinc/70/69/49/599706949.db2.gz VFFOWDVKCKCBCY-UHFFFAOYSA-N -1 0 337.379 3.551 20 0 EHADRM CCOc1ccc(C[C@@H](CNc2nc3ccccc3o2)C(=O)[O-])cc1 ZINC000737205898 599707523 /nfs/dbraw/zinc/70/75/23/599707523.db2.gz UEURVWUMZQPOTF-AWEZNQCLSA-N -1 0 340.379 3.582 20 0 EHADRM CCCN(Cc1cc(C(=O)[O-])oc1C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000737020140 599714404 /nfs/dbraw/zinc/71/44/04/599714404.db2.gz RJBNYVPAFSNICW-ZDUSSCGKSA-N -1 0 344.411 3.525 20 0 EHADRM O=C([O-])C1(NC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)CCCCC1 ZINC000238053567 599715781 /nfs/dbraw/zinc/71/57/81/599715781.db2.gz RZWIUKLJKRGGHZ-MSOLQXFVSA-N -1 0 337.419 3.847 20 0 EHADRM CN(CCCC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000737429652 599723598 /nfs/dbraw/zinc/72/35/98/599723598.db2.gz LPVGQAJYDBYIDA-UHFFFAOYSA-N -1 0 328.368 3.807 20 0 EHADRM CC(C)c1ccc(CN(C(=O)CCCN(C)C(=O)[O-])C2CC2)cc1 ZINC000736513788 599725370 /nfs/dbraw/zinc/72/53/70/599725370.db2.gz ISAKJEMGVJFCPT-UHFFFAOYSA-N -1 0 332.444 3.691 20 0 EHADRM C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)CCCNC(=O)[O-])c2)C1 ZINC000736779574 599727907 /nfs/dbraw/zinc/72/79/07/599727907.db2.gz IZZHMDOCIQIYBL-PBHICJAKSA-N -1 0 348.443 3.768 20 0 EHADRM CC(C)COc1ccc(NC(=O)CCCN(C)C(=O)[O-])cc1Cl ZINC000736449092 599731255 /nfs/dbraw/zinc/73/12/55/599731255.db2.gz YXWABXOLKUSTTG-UHFFFAOYSA-N -1 0 342.823 3.703 20 0 EHADRM COc1ccc([C@@H](C)C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000139467775 599733171 /nfs/dbraw/zinc/73/31/71/599733171.db2.gz FBXYBHAYRYOYBP-RDTXWAMCSA-N -1 0 341.407 3.521 20 0 EHADRM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(C)C(=O)[O-] ZINC000737106799 599737478 /nfs/dbraw/zinc/73/74/78/599737478.db2.gz WLZYHOOWZSLUMI-UHFFFAOYSA-N -1 0 347.242 3.732 20 0 EHADRM Cc1oc(CSc2nnc(Cc3ccccc3F)o2)cc1C(=O)[O-] ZINC000738974190 599744207 /nfs/dbraw/zinc/74/42/07/599744207.db2.gz BIPJXPHTIUNZPH-UHFFFAOYSA-N -1 0 348.355 3.691 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000236951991 599744299 /nfs/dbraw/zinc/74/42/99/599744299.db2.gz XMPPLFPBMRPMSI-RWSFTLGLSA-N -1 0 345.361 3.815 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000738539953 599746045 /nfs/dbraw/zinc/74/60/45/599746045.db2.gz JGTNPROSGXGCIJ-UHFFFAOYSA-N -1 0 343.766 3.976 20 0 EHADRM C[C@@H](CNC(=O)CCCN(C)C(=O)[O-])c1c(Cl)cccc1Cl ZINC000736595963 599749451 /nfs/dbraw/zinc/74/94/51/599749451.db2.gz PQJLQVBTNFGONE-JTQLQIEISA-N -1 0 347.242 3.603 20 0 EHADRM O=C([O-])CC1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)CC1 ZINC000262073571 599749728 /nfs/dbraw/zinc/74/97/28/599749728.db2.gz FVTZWADUZXDGDO-RTBURBONSA-N -1 0 337.419 3.657 20 0 EHADRM C[C@H](Nc1ccc(NC(=O)CCCNC(=O)[O-])cc1)c1ccccc1 ZINC000736673325 599755421 /nfs/dbraw/zinc/75/54/21/599755421.db2.gz VGPXEJGWDZJZAH-AWEZNQCLSA-N -1 0 341.411 3.846 20 0 EHADRM CN(C(=O)CSc1cccc(Cl)c1)c1ccccc1C(=O)[O-] ZINC000737325110 599763247 /nfs/dbraw/zinc/76/32/47/599763247.db2.gz GCPQFILMLNIMMT-UHFFFAOYSA-N -1 0 335.812 3.793 20 0 EHADRM CSc1ccc(C)c(C(=O)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC000237317955 599768816 /nfs/dbraw/zinc/76/88/16/599768816.db2.gz SWMMQFYRGCEPAI-UHFFFAOYSA-N -1 0 329.421 3.986 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2Cc3ccccc3-c3ccccc3C2)n1 ZINC000362502137 599771013 /nfs/dbraw/zinc/77/10/13/599771013.db2.gz YGNJWKASUKFOBG-UHFFFAOYSA-N -1 0 344.370 3.603 20 0 EHADRM CC(C)Oc1ccccc1CC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000236666717 599772435 /nfs/dbraw/zinc/77/24/35/599772435.db2.gz WDJXIVMZWBWTFS-UHFFFAOYSA-N -1 0 341.407 3.672 20 0 EHADRM O=C([O-])[C@H](NCc1coc(-c2ccc(Cl)cc2)n1)c1ccccc1 ZINC000324424423 599782518 /nfs/dbraw/zinc/78/25/18/599782518.db2.gz OFWNZZTWSWTKOR-MRXNPFEDSA-N -1 0 342.782 3.911 20 0 EHADRM O=C([O-])[C@@H](NCc1csc(-c2ccsc2)n1)c1ccccc1 ZINC000315631637 599783659 /nfs/dbraw/zinc/78/36/59/599783659.db2.gz UYVHRMOQTAAIRG-AWEZNQCLSA-N -1 0 330.434 3.787 20 0 EHADRM CC(C)[C@@H](OC(=O)/C=C\c1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000736390343 599784643 /nfs/dbraw/zinc/78/46/43/599784643.db2.gz NXIJXCVXYMYOCC-RXQFDZFGSA-N -1 0 332.396 3.674 20 0 EHADRM O=C([O-])c1ccc2c(=O)[nH]c(C=Cc3ccc(Cl)c(F)c3)nc2c1 ZINC000740188580 599801473 /nfs/dbraw/zinc/80/14/73/599801473.db2.gz CLZDEOXLTFGICZ-QHHAFSJGSA-N -1 0 344.729 3.997 20 0 EHADRM CCCCOc1ccc(C(=O)Nc2ccsc2C(=O)[O-])cc1OC ZINC000736999915 599802753 /nfs/dbraw/zinc/80/27/53/599802753.db2.gz MXDYWZGHHRAQRM-UHFFFAOYSA-N -1 0 349.408 3.886 20 0 EHADRM O=C(CS[C@@H]1CCCc2ccccc21)NC1(C(=O)[O-])CCCCC1 ZINC000739337278 599804986 /nfs/dbraw/zinc/80/49/86/599804986.db2.gz JTFHPCWTWJXIID-MRXNPFEDSA-N -1 0 347.480 3.701 20 0 EHADRM Cc1cc(NC(=S)N[C@H](C)c2cccs2)sc1C(=O)[O-] ZINC000738238791 599805843 /nfs/dbraw/zinc/80/58/43/599805843.db2.gz CWDARFLMTGKTLE-MRVPVSSYSA-N -1 0 326.468 3.864 20 0 EHADRM Cc1ccc(-c2csc(NC(=O)CCCN(C)C(=O)[O-])n2)s1 ZINC000738488378 599807223 /nfs/dbraw/zinc/80/72/23/599807223.db2.gz LYPOZKMVFSCGSL-UHFFFAOYSA-N -1 0 339.442 3.509 20 0 EHADRM C[C@H](CC(=O)Nc1cccc(CSCCC(=O)[O-])c1)n1cccc1 ZINC000532596338 599810196 /nfs/dbraw/zinc/81/01/96/599810196.db2.gz GEWSICKNUUUGIN-CQSZACIVSA-N -1 0 346.452 3.786 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)C[C@H]2CCCc3ccccc32)cc1 ZINC000238083190 599811844 /nfs/dbraw/zinc/81/18/44/599811844.db2.gz ULFCJFJAOOICKW-GOSISDBHSA-N -1 0 337.419 3.554 20 0 EHADRM CCC[C@@H](NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1ccccn1 ZINC000736973179 599816789 /nfs/dbraw/zinc/81/67/89/599816789.db2.gz JBQTVMMQDDYDEF-CQSZACIVSA-N -1 0 349.337 3.721 20 0 EHADRM Cc1cc(NC(=O)NC2(c3ccc(F)cc3)CC2)ccc1C(=O)[O-] ZINC000738440333 599821692 /nfs/dbraw/zinc/82/16/92/599821692.db2.gz ICWPVEQAOCPEOJ-UHFFFAOYSA-N -1 0 328.343 3.643 20 0 EHADRM Cc1cccc(CN(C)C(=O)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC000325486380 599824800 /nfs/dbraw/zinc/82/48/00/599824800.db2.gz JHFUPBLLHSRMFF-UHFFFAOYSA-N -1 0 326.396 3.676 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccccc1 ZINC000392524844 599828174 /nfs/dbraw/zinc/82/81/74/599828174.db2.gz YAQWUZFQGKUUTM-AWEZNQCLSA-N -1 0 326.396 3.629 20 0 EHADRM C[C@@H]1CCC[C@H](CC(=O)N(CC(=O)[O-])Cc2ccc(F)c(F)c2)C1 ZINC000736774139 599831469 /nfs/dbraw/zinc/83/14/69/599831469.db2.gz GSKYZSPFJJVGKP-OLZOCXBDSA-N -1 0 339.382 3.594 20 0 EHADRM O=C([O-])/C(=C\c1cnn(Cc2ccccc2Cl)c1)c1ccncc1 ZINC000739490311 599831470 /nfs/dbraw/zinc/83/14/70/599831470.db2.gz MDEVOTWHEBQIMC-SXGWCWSVSA-N -1 0 339.782 3.605 20 0 EHADRM CCCN(C)c1ccc(C(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC000737008212 599837469 /nfs/dbraw/zinc/83/74/69/599837469.db2.gz WWDKNBHAAGPFIE-UHFFFAOYSA-N -1 0 326.396 3.508 20 0 EHADRM CN(C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)c1ccccc1C(=O)[O-] ZINC000737315844 599837481 /nfs/dbraw/zinc/83/74/81/599837481.db2.gz YXKGIXZWHXSJKW-LSDHHAIUSA-N -1 0 329.783 3.805 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N(Cc2cccc(F)c2)C2CC2)c(F)c1 ZINC000740148690 599837519 /nfs/dbraw/zinc/83/75/19/599837519.db2.gz YHYULVRHUMSVID-UHFFFAOYSA-N -1 0 346.333 3.860 20 0 EHADRM CN(CCCC(=O)Oc1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000737438322 599838966 /nfs/dbraw/zinc/83/89/66/599838966.db2.gz LISZXVMWEOJKGZ-UHFFFAOYSA-N -1 0 329.352 3.774 20 0 EHADRM CC(C)[C@@H](NC(=O)[O-])C(=O)NCC1(c2ccccc2)CCCCCC1 ZINC000736365922 599847353 /nfs/dbraw/zinc/84/73/53/599847353.db2.gz ANBNWUDYFBRJSR-QGZVFWFLSA-N -1 0 346.471 3.687 20 0 EHADRM CCCCOc1ccc(C(=O)Nc2cccc(F)c2C(=O)[O-])cc1 ZINC000392186318 599847849 /nfs/dbraw/zinc/84/78/49/599847849.db2.gz CVKGRYQMDIOSFR-UHFFFAOYSA-N -1 0 331.343 3.955 20 0 EHADRM Cc1cc2c[nH]nc2c(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])c1 ZINC000738335256 599849625 /nfs/dbraw/zinc/84/96/25/599849625.db2.gz IFGHTEFNAIOFLM-UHFFFAOYSA-N -1 0 345.358 3.975 20 0 EHADRM CC(C)Sc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000262040142 599859031 /nfs/dbraw/zinc/85/90/31/599859031.db2.gz AEVGWRYTVCLMCX-KRWDZBQOSA-N -1 0 343.448 3.613 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)OCC(=O)c1ccc2ccccc2c1 ZINC000740057536 599869506 /nfs/dbraw/zinc/86/95/06/599869506.db2.gz XVIRIQWYSQMQTH-UHFFFAOYSA-N -1 0 349.342 3.969 20 0 EHADRM CCc1ccc(C(=O)[C@H](C)OC(=O)c2ccccc2NC(=O)[O-])cc1 ZINC000737256667 599869985 /nfs/dbraw/zinc/86/99/85/599869985.db2.gz UBLAUVQUHRLLOP-LBPRGKRZSA-N -1 0 341.363 3.767 20 0 EHADRM CCc1ncc(C(=O)NCc2c3ccccc3sc2C(=O)[O-])s1 ZINC000737284600 599873670 /nfs/dbraw/zinc/87/36/70/599873670.db2.gz JDUSGMUUGLOMRG-UHFFFAOYSA-N -1 0 346.433 3.548 20 0 EHADRM Cc1cc(O[C@@H](C)C(=O)OCc2cc(C(=O)[O-])co2)ccc1C(C)C ZINC000738465179 599883657 /nfs/dbraw/zinc/88/36/57/599883657.db2.gz RLGILTJIXPQBBU-ZDUSSCGKSA-N -1 0 346.379 3.920 20 0 EHADRM COc1ccc(C(=O)Oc2cc(Cl)ccc2C(=O)[O-])c(Cl)c1 ZINC000737948085 599883886 /nfs/dbraw/zinc/88/38/86/599883886.db2.gz QXSKWPQMXHYDRY-UHFFFAOYSA-N -1 0 341.146 3.919 20 0 EHADRM O=C([O-])c1coc(COC(=O)c2cnc(-c3ccccc3F)s2)c1 ZINC000740270625 599885235 /nfs/dbraw/zinc/88/52/35/599885235.db2.gz NNNRNBDSVVFIKO-UHFFFAOYSA-N -1 0 347.323 3.597 20 0 EHADRM O=C([O-])c1cc(NC(=O)NC2CC(c3ccccc3)C2)c(F)cc1F ZINC000739459967 599886866 /nfs/dbraw/zinc/88/68/66/599886866.db2.gz SDBUJJHNBNBYGA-UHFFFAOYSA-N -1 0 346.333 3.731 20 0 EHADRM COc1cccc(C2(C(=O)Oc3cccc(C(=O)[O-])c3)CCCC2)c1 ZINC000738097017 599889234 /nfs/dbraw/zinc/88/92/34/599889234.db2.gz SFUMSHYSPKQDRX-UHFFFAOYSA-N -1 0 340.375 3.811 20 0 EHADRM CCCN(Cc1ccccc1F)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000737020554 599902880 /nfs/dbraw/zinc/90/28/80/599902880.db2.gz IWHJTNWUSOANIA-UHFFFAOYSA-N -1 0 330.359 3.968 20 0 EHADRM O=C([O-])c1ccc2c(=O)[nH]c(C=CC3=Cc4ccccc4OC3)nc2c1 ZINC000740188556 599907956 /nfs/dbraw/zinc/90/79/56/599907956.db2.gz BSJMJLPXUYKKOM-VMPITWQZSA-N -1 0 346.342 3.523 20 0 EHADRM Cc1cccc(C(C)(C)CNC(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000738692643 599910293 /nfs/dbraw/zinc/91/02/93/599910293.db2.gz OURSCYGWLOMYBO-UHFFFAOYSA-N -1 0 326.396 3.793 20 0 EHADRM O=Cc1cc(C(=O)[O-])ccc1OCc1cc2ccccc2nc1Cl ZINC000740317421 599910740 /nfs/dbraw/zinc/91/07/40/599910740.db2.gz RAOSSSVCTAKERT-UHFFFAOYSA-N -1 0 341.750 3.978 20 0 EHADRM C[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccccc1)c1ccccc1F ZINC000237372229 599912046 /nfs/dbraw/zinc/91/20/46/599912046.db2.gz CYOSSQMUNHQFQS-DYVFJYSZSA-N -1 0 329.371 3.652 20 0 EHADRM Cc1cccc(CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)c1 ZINC000320703573 599912051 /nfs/dbraw/zinc/91/20/51/599912051.db2.gz DXSVAGCOOOBWLN-UHFFFAOYSA-N -1 0 329.421 3.815 20 0 EHADRM CCCc1c(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)[nH]c(C)c1C(C)=O ZINC000236893246 599914755 /nfs/dbraw/zinc/91/47/55/599914755.db2.gz SXCAOFXDZCLICO-UHFFFAOYSA-N -1 0 342.395 3.737 20 0 EHADRM Cc1cc(NC(=O)c2ccc(C(F)(F)F)nc2C)ccc1C(=O)[O-] ZINC000237729032 599915899 /nfs/dbraw/zinc/91/58/99/599915899.db2.gz HFHYUICVAOXLGM-UHFFFAOYSA-N -1 0 338.285 3.668 20 0 EHADRM Cc1cc(OCC(=O)Nc2ccc(C(=O)[O-])c(C)c2)ccc1Cl ZINC000237768117 599917288 /nfs/dbraw/zinc/91/72/88/599917288.db2.gz QRKJAQLAPJOFNJ-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM Cc1cc(NC(=O)/C=C/c2nc3ccccc3s2)ccc1C(=O)[O-] ZINC000237825950 599917827 /nfs/dbraw/zinc/91/78/27/599917827.db2.gz XEKLZFGHMGYXNM-CMDGGOBGSA-N -1 0 338.388 3.955 20 0 EHADRM Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000341220425 599918317 /nfs/dbraw/zinc/91/83/17/599918317.db2.gz HEAAGXUGYZVHIG-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM Cc1ccc(NC(=S)N[C@@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000738627672 599927203 /nfs/dbraw/zinc/92/72/03/599927203.db2.gz IZALDHJHPBTIOA-INIZCTEOSA-N -1 0 328.437 3.888 20 0 EHADRM Cc1ccccc1NC(=S)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000738777040 599927256 /nfs/dbraw/zinc/92/72/56/599927256.db2.gz DJAPEHADCKNDGI-MRXNPFEDSA-N -1 0 328.437 3.888 20 0 EHADRM Cc1oc(CN(C)C(=O)C(C)(C)c2ccc(C)cc2)cc1C(=O)[O-] ZINC000262560212 599928983 /nfs/dbraw/zinc/92/89/83/599928983.db2.gz ZLTLMJVTLHTYKY-UHFFFAOYSA-N -1 0 329.396 3.531 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)c1ccc2ncccc2c1)c1ccccc1 ZINC000171406552 599931283 /nfs/dbraw/zinc/93/12/83/599931283.db2.gz UJBNOSHJAWBIIN-GOSISDBHSA-N -1 0 334.375 3.571 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNc1ccc2c(c1)OCCO2 ZINC000326140114 599935808 /nfs/dbraw/zinc/93/58/08/599935808.db2.gz PDRIQTACXTZKII-UHFFFAOYSA-N -1 0 341.388 3.983 20 0 EHADRM C[C@@H](CC(=O)N[C@H](CCC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000139304058 599936597 /nfs/dbraw/zinc/93/65/97/599936597.db2.gz ZTCXFWYCSPLTKO-MAUKXSAKSA-N -1 0 325.408 3.903 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)/C=C\c1cccc(F)c1)c1ccccc1 ZINC000255891159 599937775 /nfs/dbraw/zinc/93/77/75/599937775.db2.gz YTKHLWHMNKPVHY-FPISAVPCSA-N -1 0 327.355 3.561 20 0 EHADRM CCc1c(C(=O)c2cc3cc(C(=O)[O-])ccc3o2)[nH]c(C)c1C(C)=O ZINC000737251067 599941299 /nfs/dbraw/zinc/94/12/99/599941299.db2.gz NNZWVPHSUIVDEW-UHFFFAOYSA-N -1 0 339.347 3.764 20 0 EHADRM CCCc1c(C(=O)Nc2cccc3[nH]ccc32)[nH]c(C)c1C(=O)[O-] ZINC000737042924 599943436 /nfs/dbraw/zinc/94/34/36/599943436.db2.gz FPRDUKHYTGHZIZ-UHFFFAOYSA-N -1 0 325.368 3.707 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)c1ccccc1 ZINC000193452974 599952479 /nfs/dbraw/zinc/95/24/79/599952479.db2.gz WREWPQAOOXRYLU-NSHDSACASA-N -1 0 341.194 3.657 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)c2cc3ccsc3[nH]2)c1 ZINC000739872689 599953460 /nfs/dbraw/zinc/95/34/60/599953460.db2.gz XMZMVABSGKFYKS-UHFFFAOYSA-N -1 0 346.433 3.800 20 0 EHADRM O=C([O-])[C@H](CNc1nc2ccccc2s1)Cc1cccc(F)c1 ZINC000739502266 599955854 /nfs/dbraw/zinc/95/58/54/599955854.db2.gz MRDPXJZJCJOOBV-LBPRGKRZSA-N -1 0 330.384 3.791 20 0 EHADRM C[C@@H](C(=O)N[C@H](CCC(=O)[O-])c1ccccc1)c1ccccc1F ZINC000139390703 599972096 /nfs/dbraw/zinc/97/20/96/599972096.db2.gz IOKNSMWPPGLGPB-CXAGYDPISA-N -1 0 329.371 3.652 20 0 EHADRM Cc1cnc(-c2cccc(NC(=O)c3[nH]c(C)c(C(=O)[O-])c3C)c2)o1 ZINC000738333337 599976631 /nfs/dbraw/zinc/97/66/31/599976631.db2.gz ZHQGHHVTFBPSAM-UHFFFAOYSA-N -1 0 339.351 3.545 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2ccccc2s1)c1cc(F)ccc1F ZINC000739368256 599977687 /nfs/dbraw/zinc/97/76/87/599977687.db2.gz KYXQTCZECHNVNK-OAHLLOKOSA-N -1 0 347.342 3.735 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CCC1CCCCC1)c1cc(F)ccc1F ZINC000739234517 599978841 /nfs/dbraw/zinc/97/88/41/599978841.db2.gz GMWDSNANUWBIHX-INIZCTEOSA-N -1 0 325.355 3.567 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)CCCCCc2cccs2)cc1 ZINC000238085324 599994124 /nfs/dbraw/zinc/99/41/24/599994124.db2.gz GNEJOSWNGUUHCV-UHFFFAOYSA-N -1 0 331.437 3.866 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000740042766 599994549 /nfs/dbraw/zinc/99/45/49/599994549.db2.gz LMMPLLXMJMUAMO-CHWSQXEVSA-N -1 0 332.306 3.797 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000740077135 599997100 /nfs/dbraw/zinc/99/71/00/599997100.db2.gz GAWPLWOLHDVEEI-MNOVXSKESA-N -1 0 335.281 3.544 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)OCc2cc(-c3cccs3)on2)c1 ZINC000740039258 599999560 /nfs/dbraw/zinc/99/95/60/599999560.db2.gz MELFBDHMYRWGGA-UHFFFAOYSA-N -1 0 344.348 3.850 20 0 EHADRM O=C([O-])c1sc(NCc2ccc(Br)cc2)nc1Cl ZINC000311051724 600008120 /nfs/dbraw/zinc/00/81/20/600008120.db2.gz QVQQXGPRYNVGOG-UHFFFAOYSA-N -1 0 347.621 3.869 20 0 EHADRM Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2cccc(C(=O)[O-])c2)s1 ZINC000738843771 600011924 /nfs/dbraw/zinc/01/19/24/600011924.db2.gz AZHOGBBSWBLWGG-SNVBAGLBSA-N -1 0 333.413 3.683 20 0 EHADRM Cc1cccc2c1OCC[C@H]2NC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000738443785 600013950 /nfs/dbraw/zinc/01/39/50/600013950.db2.gz YFRLYNNROAKIMV-MRXNPFEDSA-N -1 0 340.379 3.647 20 0 EHADRM Cc1cc(NC(=O)NCc2cccc(OC(C)C)c2)ccc1C(=O)[O-] ZINC000738444109 600015147 /nfs/dbraw/zinc/01/51/47/600015147.db2.gz JFJSIDWVLGREHE-UHFFFAOYSA-N -1 0 342.395 3.802 20 0 EHADRM Cc1cc(NC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)ccc1C(=O)[O-] ZINC000738443815 600017031 /nfs/dbraw/zinc/01/70/31/600017031.db2.gz YWZOIGYMBCHXHP-MNOVXSKESA-N -1 0 344.333 3.936 20 0 EHADRM CCOCc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000737178392 600017316 /nfs/dbraw/zinc/01/73/16/600017316.db2.gz TXRKISPUNOGBLR-UHFFFAOYSA-N -1 0 342.395 3.551 20 0 EHADRM CN(Cc1ccccc1)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000737492873 600020753 /nfs/dbraw/zinc/02/07/53/600020753.db2.gz XLZPDSKQDPQGDA-UHFFFAOYSA-N -1 0 344.436 3.668 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)O[C@H]2CCCc3ccccc3C2=O)c1 ZINC000740036271 600020782 /nfs/dbraw/zinc/02/07/82/600020782.db2.gz NECRCSGDCIKMQB-INIZCTEOSA-N -1 0 339.347 3.521 20 0 EHADRM Cc1ccc(OC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)c(C(=O)[O-])c1 ZINC000738636595 600023350 /nfs/dbraw/zinc/02/33/50/600023350.db2.gz RUIBOKGWQUTPMR-RYUDHWBXSA-N -1 0 332.302 3.681 20 0 EHADRM CC(C)(C(=O)Oc1cccc(CC(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000736231418 600026129 /nfs/dbraw/zinc/02/61/29/600026129.db2.gz FVPBAUJDSVRKQH-UHFFFAOYSA-N -1 0 332.783 3.850 20 0 EHADRM CN(Cc1ccc2ccccc2c1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263500585 600026666 /nfs/dbraw/zinc/02/66/66/600026666.db2.gz VHYHAOAEUDEIAY-UHFFFAOYSA-N -1 0 340.423 3.625 20 0 EHADRM C[C@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000237615855 600033692 /nfs/dbraw/zinc/03/36/92/600033692.db2.gz IFMKZNJCYLNGGM-LBPRGKRZSA-N -1 0 331.799 3.848 20 0 EHADRM Cc1cc(C)c(CNC(=O)CCc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000237812377 600037801 /nfs/dbraw/zinc/03/78/01/600037801.db2.gz WVLRPYISSOUDDJ-UHFFFAOYSA-N -1 0 325.408 3.559 20 0 EHADRM CCc1cccc2c(CC(=O)Nc3cccc(C(=O)[O-])c3C)c[nH]c21 ZINC000675966587 600037839 /nfs/dbraw/zinc/03/78/39/600037839.db2.gz RPQIRJCTJOGCPM-UHFFFAOYSA-N -1 0 336.391 3.918 20 0 EHADRM C[C@@H]1CCN(C(=O)CCc2ccc(C(=O)[O-])cc2)[C@H]2CCCC[C@@H]12 ZINC000532603200 600038749 /nfs/dbraw/zinc/03/87/49/600038749.db2.gz URBRASJFCVZCCE-JLSDUUJJSA-N -1 0 329.440 3.745 20 0 EHADRM COC[C@@H](NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccccc1 ZINC000737745471 600040350 /nfs/dbraw/zinc/04/03/50/600040350.db2.gz FLRXELUPWTWXPG-OAHLLOKOSA-N -1 0 348.786 3.547 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000327080576 600042028 /nfs/dbraw/zinc/04/20/28/600042028.db2.gz SOXKIKYBZMMLSW-UHFFFAOYSA-N -1 0 339.322 3.735 20 0 EHADRM Cc1ccccc1C(C)(C)CNC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237682716 600042476 /nfs/dbraw/zinc/04/24/76/600042476.db2.gz QYDGUZDUJPPUCQ-UHFFFAOYSA-N -1 0 339.435 3.720 20 0 EHADRM Cc1ccccc1[C@@H]1CCN(C(=O)CCc2ccc(C(=O)[O-])cc2)C1 ZINC000262581558 600043099 /nfs/dbraw/zinc/04/30/99/600043099.db2.gz FRQKECSHAWOKKN-GOSISDBHSA-N -1 0 337.419 3.642 20 0 EHADRM Cc1cccc(C2(C(=O)NC3CCC(C(=O)[O-])CC3)CCCCC2)c1 ZINC000262664760 600050467 /nfs/dbraw/zinc/05/04/67/600050467.db2.gz OFOPAAZDLPZYFD-UHFFFAOYSA-N -1 0 343.467 3.957 20 0 EHADRM O=C([O-])c1cc(F)ccc1CSc1nnc(-c2ccccc2)o1 ZINC000740077031 600058099 /nfs/dbraw/zinc/05/80/99/600058099.db2.gz BHOOITCBTKMJDN-UHFFFAOYSA-N -1 0 330.340 3.866 20 0 EHADRM CC[C@@H](CC(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000236923364 600060672 /nfs/dbraw/zinc/06/06/72/600060672.db2.gz IFBMWNVCDYRZAP-INIZCTEOSA-N -1 0 325.408 3.627 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)Cc2cccc(F)c2)c1 ZINC000238212547 600068282 /nfs/dbraw/zinc/06/82/82/600068282.db2.gz OAKOBWNOJKQSEP-UHFFFAOYSA-N -1 0 347.411 3.715 20 0 EHADRM CC(C)c1ccc(NC(=O)CSCc2ccncc2)c(C(=O)[O-])c1 ZINC000736515508 600074606 /nfs/dbraw/zinc/07/46/06/600074606.db2.gz NQWDNWQIMKNELF-UHFFFAOYSA-N -1 0 344.436 3.775 20 0 EHADRM Cc1cc(C)c(NC(=O)COc2ccc(Cl)cc2C(=O)[O-])c(C)c1 ZINC000013083528 600080971 /nfs/dbraw/zinc/08/09/71/600080971.db2.gz BSOSRXOIWXWDJW-UHFFFAOYSA-N -1 0 347.798 3.981 20 0 EHADRM Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000738306187 600081889 /nfs/dbraw/zinc/08/18/89/600081889.db2.gz XOSTXORVYDSYDB-LSDHHAIUSA-N -1 0 329.783 3.975 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2cnc(Cl)c(Cl)c2)ccc1F ZINC000740012665 600089412 /nfs/dbraw/zinc/08/94/12/600089412.db2.gz QYPFGLKWZRGUGV-UHFFFAOYSA-N -1 0 344.129 3.870 20 0 EHADRM Cc1ccc(OCC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1C ZINC000738639189 600089812 /nfs/dbraw/zinc/08/98/12/600089812.db2.gz OSKOFHUYXRQBME-UHFFFAOYSA-N -1 0 332.331 3.550 20 0 EHADRM Cc1cc(NC(=O)N(C)CCc2ccccc2F)ccc1C(=O)[O-] ZINC000738437242 600096151 /nfs/dbraw/zinc/09/61/51/600096151.db2.gz CHUFUULFNVWUOG-UHFFFAOYSA-N -1 0 330.359 3.539 20 0 EHADRM COc1ccc([C@@H](C)OC(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000738068106 600100602 /nfs/dbraw/zinc/10/06/02/600100602.db2.gz FORNPYWJVXRKPC-CYBMUJFWSA-N -1 0 328.364 3.630 20 0 EHADRM Cc1nc(NC(=O)Nc2cccc(CSCCC(=O)[O-])c2)oc1C ZINC000738865856 600108242 /nfs/dbraw/zinc/10/82/42/600108242.db2.gz HTVTZPJATJTVTI-UHFFFAOYSA-N -1 0 349.412 3.643 20 0 EHADRM CC(C)COc1ccc(CC(=O)O[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000736445775 600109091 /nfs/dbraw/zinc/10/90/91/600109091.db2.gz JKYNVNPMMXLCPF-LJQANCHMSA-N -1 0 342.391 3.633 20 0 EHADRM O=C([O-])c1ccc(-c2noc(CCSc3ccccc3F)n2)cc1 ZINC000740101351 600113165 /nfs/dbraw/zinc/11/31/65/600113165.db2.gz IDBROHLKGPQHEP-UHFFFAOYSA-N -1 0 344.367 3.909 20 0 EHADRM Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(CC(=O)[O-])cc2)s1 ZINC000738845581 600113959 /nfs/dbraw/zinc/11/39/59/600113959.db2.gz VGCMCKABNGUIAH-LLVKDONJSA-N -1 0 347.440 3.612 20 0 EHADRM O=C([O-])c1ccc(-c2noc(COc3ccccc3Cl)n2)cc1 ZINC000740101907 600114242 /nfs/dbraw/zinc/11/42/42/600114242.db2.gz XIPMMHQAJBLESA-UHFFFAOYSA-N -1 0 330.727 3.667 20 0 EHADRM CC(C)c1cccc(OCC(=O)OCc2ccc(F)cc2C(=O)[O-])c1 ZINC000736521658 600114664 /nfs/dbraw/zinc/11/46/64/600114664.db2.gz OUWJSANHFUMZEV-UHFFFAOYSA-N -1 0 346.354 3.770 20 0 EHADRM COc1ccc(O[C@H](C)c2nc(-c3ccc(C(=O)[O-])cc3)no2)cc1 ZINC000738043702 600114705 /nfs/dbraw/zinc/11/47/05/600114705.db2.gz FUHQUCKXOBZMEP-LLVKDONJSA-N -1 0 340.335 3.583 20 0 EHADRM Cc1cc(Br)oc1-c1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000738313505 600114795 /nfs/dbraw/zinc/11/47/95/600114795.db2.gz KXAQLQAGJLQFNW-UHFFFAOYSA-N -1 0 349.140 3.766 20 0 EHADRM Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)s1 ZINC000738843867 600115558 /nfs/dbraw/zinc/11/55/58/600115558.db2.gz FFFQZBOUCCRQAD-NSHDSACASA-N -1 0 347.440 3.991 20 0 EHADRM CC(C)(C(=O)OCc1ccc(F)cc1C(=O)[O-])c1ccccc1F ZINC000736231339 600116067 /nfs/dbraw/zinc/11/60/67/600116067.db2.gz ARHSGXOQXXVMCT-UHFFFAOYSA-N -1 0 334.318 3.684 20 0 EHADRM C[C@@H](OC(=O)c1cnc(-c2ccco2)s1)c1ccc(C(=O)[O-])o1 ZINC000736696344 600119431 /nfs/dbraw/zinc/11/94/31/600119431.db2.gz LBQAYEBBOKVFTF-MRVPVSSYSA-N -1 0 333.321 3.612 20 0 EHADRM Cc1cccc(OCCCC(=O)Oc2ccc(C)cc2C(=O)[O-])c1 ZINC000738738237 600132875 /nfs/dbraw/zinc/13/28/75/600132875.db2.gz ZHJSWMMXROGNQC-UHFFFAOYSA-N -1 0 328.364 3.766 20 0 EHADRM Cc1ccc(OC(=O)CCSc2ccc(F)cc2)c(C(=O)[O-])c1 ZINC000738638389 600133876 /nfs/dbraw/zinc/13/38/76/600133876.db2.gz GNROIAZDYCTLQS-UHFFFAOYSA-N -1 0 334.368 3.920 20 0 EHADRM CC(C)Sc1ccccc1C(=O)OCC(=O)c1cc(C(=O)[O-])co1 ZINC000736499219 600135688 /nfs/dbraw/zinc/13/56/88/600135688.db2.gz TXLDFRQUHLXUGY-UHFFFAOYSA-N -1 0 348.376 3.518 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000237252483 600142329 /nfs/dbraw/zinc/14/23/29/600142329.db2.gz YNEHXFOJBQIBMI-ZDUSSCGKSA-N -1 0 327.380 3.601 20 0 EHADRM Cc1c(NC(=O)[C@@H]2C[C@@H]2c2ccc(N(C)C)cc2)cccc1C(=O)[O-] ZINC000738300885 600142931 /nfs/dbraw/zinc/14/29/31/600142931.db2.gz WUUMLLBUOWASTP-IAGOWNOFSA-N -1 0 338.407 3.501 20 0 EHADRM Cc1ccc([C@H](CNC(=O)C[C@H](C)c2ccccc2F)C(=O)[O-])cc1 ZINC000486390488 600156533 /nfs/dbraw/zinc/15/65/33/600156533.db2.gz UPWZIVJJNWIXAL-YOEHRIQHSA-N -1 0 343.398 3.612 20 0 EHADRM O=C([O-])c1cccc(NC(=O)NCC2(c3ccc(Cl)cc3)CC2)c1 ZINC000739406572 600157536 /nfs/dbraw/zinc/15/75/36/600157536.db2.gz JAUZESSSHWQILX-UHFFFAOYSA-N -1 0 344.798 3.892 20 0 EHADRM C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)C(C)(C)NC(=O)[O-])c2)C1 ZINC000736783777 600158741 /nfs/dbraw/zinc/15/87/41/600158741.db2.gz ZBZNLFOCTKQDJJ-CZUORRHYSA-N -1 0 348.443 3.767 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)c2cccc(C(F)F)c2)C(=O)[O-])cc1 ZINC000738568158 600164028 /nfs/dbraw/zinc/16/40/28/600164028.db2.gz ZYDNTKROLZOQKX-OAHLLOKOSA-N -1 0 333.334 3.531 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1)C(C)C ZINC000738322136 600180034 /nfs/dbraw/zinc/18/00/34/600180034.db2.gz PBEFNWWZKAOHCS-HNNXBMFYSA-N -1 0 327.384 3.607 20 0 EHADRM CCN(C(=O)Nc1ccc(C(=O)[O-])c(C)c1)[C@H](C)c1cccnc1 ZINC000737059944 600183594 /nfs/dbraw/zinc/18/35/94/600183594.db2.gz KUFQHWVVIPIRST-CYBMUJFWSA-N -1 0 327.384 3.703 20 0 EHADRM CCCCC[C@@H](NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)C(C)(C)C ZINC000736984902 600189651 /nfs/dbraw/zinc/18/96/51/600189651.db2.gz QDTNAMGAGWBGNX-HUUCEWRRSA-N -1 0 338.492 3.878 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)Oc1ccc(C(=O)[O-])cc1OC ZINC000736929743 600189795 /nfs/dbraw/zinc/18/97/95/600189795.db2.gz UGAIKJSPBHFNMY-MRXNPFEDSA-N -1 0 346.404 3.870 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1OC(=O)CC[C@@H]1CCCCO1 ZINC000739233239 600191023 /nfs/dbraw/zinc/19/10/23/600191023.db2.gz AHJIUQSGCOIVJS-HNNXBMFYSA-N -1 0 328.364 3.793 20 0 EHADRM C/C(=C\C(=O)N[C@@H](CC(=O)[O-])c1cccs1)c1cccc(F)c1 ZINC000736121476 600191882 /nfs/dbraw/zinc/19/18/82/600191882.db2.gz RSRGNSOGMRJLKE-ZHZWZMEUSA-N -1 0 333.384 3.623 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000347127826 600192875 /nfs/dbraw/zinc/19/28/75/600192875.db2.gz FSTFGVCOIQQJFH-CYBMUJFWSA-N -1 0 329.421 3.681 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000485868654 600193233 /nfs/dbraw/zinc/19/32/33/600193233.db2.gz CPHQSEJEPDSPGG-CQSZACIVSA-N -1 0 343.448 3.772 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000238157907 600194147 /nfs/dbraw/zinc/19/41/47/600194147.db2.gz QBWMCTZFYVGNRK-UHFFFAOYSA-N -1 0 335.347 3.673 20 0 EHADRM Cc1[nH]c2ccc(C(=O)N(C)[C@H](C(=O)[O-])c3ccccc3)cc2c1C ZINC000738246888 600194287 /nfs/dbraw/zinc/19/42/87/600194287.db2.gz QYIGWEJEEFMPRW-SFHVURJKSA-N -1 0 336.391 3.683 20 0 EHADRM C[C@H](c1ccccc1)N(C(=O)CCSCC(=O)[O-])c1ccccc1 ZINC000736719319 600195930 /nfs/dbraw/zinc/19/59/30/600195930.db2.gz XKMLKZCFOGLSQY-OAHLLOKOSA-N -1 0 343.448 3.989 20 0 EHADRM Cn1cc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c2ccccc21 ZINC000322498115 600201906 /nfs/dbraw/zinc/20/19/06/600201906.db2.gz BRDRHOFSMHNFOS-UHFFFAOYSA-N -1 0 328.755 3.782 20 0 EHADRM C[C@H](OC(=O)C[C@H]1OCCc2ccccc21)c1ccc(C(=O)[O-])cc1 ZINC000738227574 600203052 /nfs/dbraw/zinc/20/30/52/600203052.db2.gz DCBRVBWKSNUGSA-SCLBCKFNSA-N -1 0 340.375 3.693 20 0 EHADRM CN(Cc1ccc(Nc2cnc3cc(F)c(F)cc3n2)cc1)C(=O)[O-] ZINC000737485934 600206016 /nfs/dbraw/zinc/20/60/16/600206016.db2.gz MEIIDWFTOAFNOL-UHFFFAOYSA-N -1 0 344.321 3.761 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)ccc1F ZINC000740081479 600206626 /nfs/dbraw/zinc/20/66/26/600206626.db2.gz PEDFTFLQJFBKQX-ZJUUUORDSA-N -1 0 335.281 3.544 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)c1 ZINC000740043761 600207073 /nfs/dbraw/zinc/20/70/73/600207073.db2.gz WSKPMIUHANNYSA-VXGBXAGGSA-N -1 0 332.306 3.797 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000738539161 600207109 /nfs/dbraw/zinc/20/71/09/600207109.db2.gz CKIHZYDWUNZCLM-VXGBXAGGSA-N -1 0 332.302 3.681 20 0 EHADRM CSc1ccc(NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])nc1 ZINC000738210901 600213768 /nfs/dbraw/zinc/21/37/68/600213768.db2.gz CPLGORAGLPUKOS-SNVBAGLBSA-N -1 0 348.449 3.621 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000262135287 600214797 /nfs/dbraw/zinc/21/47/97/600214797.db2.gz OGVGSGHSBGPZPR-RDJZCZTQSA-N -1 0 341.432 3.772 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(F)c(F)c2)c(OC(F)F)c1 ZINC000740157520 600214948 /nfs/dbraw/zinc/21/49/48/600214948.db2.gz ZTRDQFNSNMMDDY-UHFFFAOYSA-N -1 0 343.232 3.517 20 0 EHADRM Cc1oc(-c2ccsc2)nc1CN(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000738958169 600215449 /nfs/dbraw/zinc/21/54/49/600215449.db2.gz TYWXMHOHRAGWIV-INIZCTEOSA-N -1 0 342.420 3.969 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)c2ccccc21 ZINC000192943622 600218291 /nfs/dbraw/zinc/21/82/91/600218291.db2.gz BEJXCXMEJNLCIL-ZDUSSCGKSA-N -1 0 341.750 3.915 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)c2ccccc21 ZINC000249391528 600218932 /nfs/dbraw/zinc/21/89/32/600218932.db2.gz BROSXIJRUAPTJB-HRCADAONSA-N -1 0 341.794 3.659 20 0 EHADRM CC[C@@H](C)c1ccc(OS(=O)(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC000736890697 600219610 /nfs/dbraw/zinc/21/96/10/600219610.db2.gz GYBPWVZRDQETPC-CYBMUJFWSA-N -1 0 348.420 3.807 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)Cc2csc3ccccc23)c2ccccc21 ZINC000439701031 600219978 /nfs/dbraw/zinc/21/99/78/600219978.db2.gz URGWYDQIZONPEM-HNNXBMFYSA-N -1 0 337.400 3.659 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)CCc2ccc3ccccc3c2)c2ccccc21 ZINC000192958577 600222725 /nfs/dbraw/zinc/22/27/25/600222725.db2.gz SNCJRACBECWEOS-IBGZPJMESA-N -1 0 345.398 3.987 20 0 EHADRM C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000237347172 600235495 /nfs/dbraw/zinc/23/54/95/600235495.db2.gz FVBHSNVDBZQOQH-KCJUWKMLSA-N -1 0 348.251 3.550 20 0 EHADRM CCN(C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-])C(C)C ZINC000737060510 600237069 /nfs/dbraw/zinc/23/70/69/600237069.db2.gz VLLWQNJWLUJJGO-QGZVFWFLSA-N -1 0 342.439 3.523 20 0 EHADRM C[C@@H](CC(=O)OCCOc1cccc(C(=O)[O-])c1)c1cccc(F)c1 ZINC000736555178 600237687 /nfs/dbraw/zinc/23/76/87/600237687.db2.gz BXWSZFOITQYBOF-ZDUSSCGKSA-N -1 0 346.354 3.640 20 0 EHADRM CC(C)(C)C1CCN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)CC1 ZINC000325372528 600241623 /nfs/dbraw/zinc/24/16/23/600241623.db2.gz KQCQGVWFWMVWFV-UHFFFAOYSA-N -1 0 332.444 3.994 20 0 EHADRM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccccc1NC(=O)[O-] ZINC000736759348 600259239 /nfs/dbraw/zinc/25/92/39/600259239.db2.gz IRKWDHHYGXGJDW-JSGCOSHPSA-N -1 0 342.370 3.934 20 0 EHADRM CCc1[nH]c(C(=O)Nc2cc(Cl)cc(C)c2O)c(C)c1C(=O)[O-] ZINC000737243151 600266644 /nfs/dbraw/zinc/26/66/44/600266644.db2.gz BIOIGPGSIVQGAZ-UHFFFAOYSA-N -1 0 336.775 3.503 20 0 EHADRM COc1ccccc1-c1cccc(NC(=O)CCSCC(=O)[O-])c1 ZINC000738114394 600269375 /nfs/dbraw/zinc/26/93/75/600269375.db2.gz WUQQQJWFKWJYMX-UHFFFAOYSA-N -1 0 345.420 3.509 20 0 EHADRM CC(C)c1noc([C@H](C)Sc2nc3ccc(C(=O)[O-])cc3o2)n1 ZINC000736537420 600275440 /nfs/dbraw/zinc/27/54/40/600275440.db2.gz IPEXOBOBRXTLRF-QMMMGPOBSA-N -1 0 333.369 3.886 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N[C@@H]2CCc3cc(F)ccc32)c1 ZINC000739463289 600284359 /nfs/dbraw/zinc/28/43/59/600284359.db2.gz NYDQUSPZGXESTJ-OAHLLOKOSA-N -1 0 348.761 3.986 20 0 EHADRM C/C(=C/C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000736121178 600287085 /nfs/dbraw/zinc/28/70/85/600287085.db2.gz PPHVCTFWWLOPDJ-QBFSEMIESA-N -1 0 342.370 3.978 20 0 EHADRM CC(C)c1nc(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cs1 ZINC000736524824 600288538 /nfs/dbraw/zinc/28/85/38/600288538.db2.gz HBWGCZBOFHWDJR-UHFFFAOYSA-N -1 0 333.413 3.629 20 0 EHADRM CC(=O)Nc1cccc(NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000325364039 600289279 /nfs/dbraw/zinc/28/92/79/600289279.db2.gz AEPIUUKKNPXAQS-UHFFFAOYSA-N -1 0 347.758 3.641 20 0 EHADRM Cc1ccc(C(C)(C)C(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000738546778 600291015 /nfs/dbraw/zinc/29/10/15/600291015.db2.gz MLWVOMHLXCMBSN-UHFFFAOYSA-N -1 0 326.396 3.679 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000739986683 600293148 /nfs/dbraw/zinc/29/31/48/600293148.db2.gz QTVNFMGPAAJINV-UHFFFAOYSA-N -1 0 342.439 3.999 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)c2cc3ccccc3cc2O)cc1 ZINC000739992291 600293517 /nfs/dbraw/zinc/29/35/17/600293517.db2.gz SNRZSTRLELNSGC-UHFFFAOYSA-N -1 0 336.347 3.565 20 0 EHADRM Cn1c2ccccc2nc1[C@H]1CCCCN1Cc1cc(C(=O)[O-])co1 ZINC000739012886 600314815 /nfs/dbraw/zinc/31/48/15/600314815.db2.gz SWTLXIYXFUTAEY-QGZVFWFLSA-N -1 0 339.395 3.592 20 0 EHADRM C[C@H](C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1)c1ccccc1F ZINC000736227568 600329346 /nfs/dbraw/zinc/32/93/46/600329346.db2.gz VUFPWUYNWWRLDL-BONVTDFDSA-N -1 0 336.746 3.952 20 0 EHADRM CC(C)(C)c1csc(NC(=O)Nc2ccc(CNC(=O)[O-])cc2)n1 ZINC000736300044 600329690 /nfs/dbraw/zinc/32/96/90/600329690.db2.gz RHPYPHKRKKDAID-UHFFFAOYSA-N -1 0 348.428 3.852 20 0 EHADRM CCCCc1ccc(NC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000405390054 600333199 /nfs/dbraw/zinc/33/31/99/600333199.db2.gz JBSLXHVMMYFVNA-MRXNPFEDSA-N -1 0 330.428 3.748 20 0 EHADRM COc1ccc(NC(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1Cl ZINC000738034834 600334193 /nfs/dbraw/zinc/33/41/93/600334193.db2.gz TUEXUVDYOOGCRL-UHFFFAOYSA-N -1 0 349.774 3.760 20 0 EHADRM COCc1ccccc1NC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000737834763 600336048 /nfs/dbraw/zinc/33/60/48/600336048.db2.gz HNHQDUSMYUKONH-UHFFFAOYSA-N -1 0 343.383 3.587 20 0 EHADRM CS[C@H]1CCC[C@@H](NC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)C1 ZINC000738140121 600338663 /nfs/dbraw/zinc/33/86/63/600338663.db2.gz SDTJGOQBAAESMN-OCCSQVGLSA-N -1 0 337.445 3.597 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)Nc2cc(F)c(F)cc2F)cc1 ZINC000739992807 600340000 /nfs/dbraw/zinc/34/00/00/600340000.db2.gz VVUTWEQCVXGSNO-UHFFFAOYSA-N -1 0 339.273 3.516 20 0 EHADRM Cn1ccc2c1cccc2NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000739038444 600340235 /nfs/dbraw/zinc/34/02/35/600340235.db2.gz HQCDUQNVEUOBGF-UHFFFAOYSA-N -1 0 338.367 3.590 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)[C@H](C)C1 ZINC000736768457 600341517 /nfs/dbraw/zinc/34/15/17/600341517.db2.gz JUNOLJJNISGFPS-IOASZLSFSA-N -1 0 333.432 3.743 20 0 EHADRM CCN(Cc1ccccc1)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000737104646 600344820 /nfs/dbraw/zinc/34/48/20/600344820.db2.gz VWABJPWIKRLRNV-UHFFFAOYSA-N -1 0 341.411 3.850 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2ccc(CNC(=O)[O-])cc2)s1 ZINC000738553962 600348731 /nfs/dbraw/zinc/34/87/31/600348731.db2.gz XSEPALFEJMLPMY-NSHDSACASA-N -1 0 333.413 3.707 20 0 EHADRM CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736905373 600349103 /nfs/dbraw/zinc/34/91/03/600349103.db2.gz GQIHCXGSEQVIGX-INIZCTEOSA-N -1 0 341.411 3.597 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1c(F)cccc1F ZINC000736649959 600353645 /nfs/dbraw/zinc/35/36/45/600353645.db2.gz XXVPWBOGLDYLAH-JTQLQIEISA-N -1 0 349.337 3.615 20 0 EHADRM CC(C)[C@H]1CCCN(C(=O)Nc2ccc(CNC(=O)[O-])cc2)CC1 ZINC000736395506 600354163 /nfs/dbraw/zinc/35/41/63/600354163.db2.gz NYPULBJBRQFIEA-HNNXBMFYSA-N -1 0 333.432 3.744 20 0 EHADRM Cc1cc(NC(=O)c2cc(F)c(Cl)nc2Cl)sc1C(=O)[O-] ZINC000738239718 600372560 /nfs/dbraw/zinc/37/25/60/600372560.db2.gz CGCMBDMFYFPSJQ-UHFFFAOYSA-N -1 0 349.170 3.848 20 0 EHADRM Cc1cc(NC(=O)CCC(=O)c2ccc(C)c(C)c2)sc1C(=O)[O-] ZINC000738250951 600373015 /nfs/dbraw/zinc/37/30/15/600373015.db2.gz HFNPQOVBROYGBT-UHFFFAOYSA-N -1 0 345.420 3.973 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)CCc1ccccc1F)c1ccccc1 ZINC000736852616 600378327 /nfs/dbraw/zinc/37/83/27/600378327.db2.gz NPVLOXJUDOOVMM-QGZVFWFLSA-N -1 0 329.371 3.655 20 0 EHADRM O=C([O-])[C@@H](Sc1nnc(Cc2cccs2)o1)c1ccccc1 ZINC000738524530 600379058 /nfs/dbraw/zinc/37/90/58/600379058.db2.gz HQAWMCJOLIGIRT-ZDUSSCGKSA-N -1 0 332.406 3.640 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000236749328 600379359 /nfs/dbraw/zinc/37/93/59/600379359.db2.gz GTWIIWUQYMURSZ-GFCCVEGCSA-N -1 0 345.361 3.596 20 0 EHADRM Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccc(C(=O)[O-])cc1)CCC2 ZINC000738366408 600379443 /nfs/dbraw/zinc/37/94/43/600379443.db2.gz ZKFFNBDCWIUHNU-AWEZNQCLSA-N -1 0 345.424 3.691 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)/C=C/c1ccnc2ccccc12 ZINC000190869013 600380418 /nfs/dbraw/zinc/38/04/18/600380418.db2.gz FRZWSBNOOSFDKK-CMDGGOBGSA-N -1 0 332.359 3.893 20 0 EHADRM O=C([O-])c1sc2ccccc2c1Cn1cnc(-c2ccccc2)n1 ZINC000740281104 600380480 /nfs/dbraw/zinc/38/04/80/600380480.db2.gz PFXHWQAPMRBQHN-UHFFFAOYSA-N -1 0 335.388 3.906 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OC(=O)C[C@@H]1CCOc2ccccc21 ZINC000738540722 600382119 /nfs/dbraw/zinc/38/21/19/600382119.db2.gz NPIGPNNLBUDTHK-ZDUSSCGKSA-N -1 0 326.348 3.555 20 0 EHADRM O=C([O-])c1cc(NC(=O)NCc2ccc(F)c(Cl)c2)ccc1F ZINC000321244174 600383121 /nfs/dbraw/zinc/38/31/21/600383121.db2.gz OZTBGKOVLASNGE-UHFFFAOYSA-N -1 0 340.713 3.638 20 0 EHADRM O=C([O-])CN(Cc1ccc(F)c(F)c1)C(=O)/C=C\C1CCCCC1 ZINC000739797488 600384201 /nfs/dbraw/zinc/38/42/01/600384201.db2.gz ZKYCXDPMJOHSPQ-CLFYSBASSA-N -1 0 337.366 3.515 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1cc(F)c(F)c(F)c1)c1ccccc1 ZINC000736850658 600386444 /nfs/dbraw/zinc/38/64/44/600386444.db2.gz CCRKKRJFGWLYKT-AWEZNQCLSA-N -1 0 337.297 3.614 20 0 EHADRM CC[C@@H](C(=O)NCCc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000736846856 600387205 /nfs/dbraw/zinc/38/72/05/600387205.db2.gz IHCGSFFYPVJCAU-QGZVFWFLSA-N -1 0 326.396 3.629 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)Cc2cccc3ccccc32)cc1 ZINC000740017614 600388508 /nfs/dbraw/zinc/38/85/08/600388508.db2.gz QNSRTYKABVFGQS-UHFFFAOYSA-N -1 0 348.402 3.831 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1ccc(C)nc1Cl)c1ccccc1 ZINC000736851007 600389238 /nfs/dbraw/zinc/38/92/38/600389238.db2.gz CORBPCNLFFAFSR-AWEZNQCLSA-N -1 0 332.787 3.553 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCS[C@H](c3ccccc3)C2)cc1 ZINC000738662828 600391247 /nfs/dbraw/zinc/39/12/47/600391247.db2.gz WVKPYAUJXRSIHM-INIZCTEOSA-N -1 0 342.420 3.707 20 0 EHADRM Cc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)n1 ZINC000237607796 600392304 /nfs/dbraw/zinc/39/23/04/600392304.db2.gz OZCRXUBRHUEGGK-KRWDZBQOSA-N -1 0 340.423 3.633 20 0 EHADRM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736824777 600393299 /nfs/dbraw/zinc/39/32/99/600393299.db2.gz IIGDPUVGMJJFJV-MGPLVRAMSA-N -1 0 343.358 3.971 20 0 EHADRM CN(Cc1ccc(Br)s1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737451152 600396491 /nfs/dbraw/zinc/39/64/91/600396491.db2.gz KLFRECZAFFJVNY-ZDUSSCGKSA-N -1 0 340.242 3.768 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)CC2 ZINC000738671400 600397345 /nfs/dbraw/zinc/39/73/45/600397345.db2.gz XUWXEEXCUMZQPK-HNNXBMFYSA-N -1 0 328.343 3.641 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)Nc2ccccc2C(=O)[O-])s1 ZINC000738240378 600403646 /nfs/dbraw/zinc/40/36/46/600403646.db2.gz OQNLVKZQIRGPFV-UHFFFAOYSA-N -1 0 327.308 3.608 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCC2CCCCC2)c(OC(F)F)c1 ZINC000739406115 600406269 /nfs/dbraw/zinc/40/62/69/600406269.db2.gz CXDZQCJYOBYHDA-UHFFFAOYSA-N -1 0 342.342 3.688 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H](C)CC2CCCC2)cc1 ZINC000675947187 600408012 /nfs/dbraw/zinc/40/80/12/600408012.db2.gz VMMNYTUDQRUGMD-GUYCJALGSA-N -1 0 333.428 3.544 20 0 EHADRM CCN(C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)[C@@H](C)C(C)C ZINC000737060172 600408267 /nfs/dbraw/zinc/40/82/67/600408267.db2.gz NLHAZOOTFRQLJK-JTQLQIEISA-N -1 0 344.358 3.885 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)c2csc3cncn32)s1 ZINC000736294703 600410110 /nfs/dbraw/zinc/41/01/10/600410110.db2.gz OJUFMKTZOFKOOL-UHFFFAOYSA-N -1 0 349.437 3.705 20 0 EHADRM CC[C@H](NC(=O)c1ccccc1NC(=O)[O-])c1ccc(F)cc1F ZINC000736919174 600414046 /nfs/dbraw/zinc/41/40/46/600414046.db2.gz GBEQKIVRZJPUGH-AWEZNQCLSA-N -1 0 334.322 3.936 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000236839352 600415801 /nfs/dbraw/zinc/41/58/01/600415801.db2.gz XPGWUUNFUGPWPY-IRXDYDNUSA-N -1 0 325.408 3.703 20 0 EHADRM CC(C)(C)c1ccc(SCC(=O)NC(C)(C)CCC(=O)[O-])cc1 ZINC000236746624 600417249 /nfs/dbraw/zinc/41/72/49/600417249.db2.gz IFHRTCFRRJCKFO-UHFFFAOYSA-N -1 0 337.485 3.836 20 0 EHADRM COC(=O)Nc1ccc(N[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000737644459 600425849 /nfs/dbraw/zinc/42/58/49/600425849.db2.gz WEVCDEQWOJWSOL-AWEZNQCLSA-N -1 0 334.759 3.756 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2ncoc2-c2ccccc2)cc1 ZINC000676026236 600427199 /nfs/dbraw/zinc/42/71/99/600427199.db2.gz WZUUDDFCWUJNEO-UHFFFAOYSA-N -1 0 336.347 3.611 20 0 EHADRM C[C@@H](Cc1ccccc1)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000237351318 600427343 /nfs/dbraw/zinc/42/73/43/600427343.db2.gz STTDXYXZDYOQGW-AWEZNQCLSA-N -1 0 343.448 3.822 20 0 EHADRM COCCOc1ccc(N[C@H](C(=O)[O-])c2ccccc2)cc1Cl ZINC000737820300 600427496 /nfs/dbraw/zinc/42/74/96/600427496.db2.gz GIYZXIVANQINJL-INIZCTEOSA-N -1 0 335.787 3.603 20 0 EHADRM COC(=O)[C@H](Nc1ccc(N(C)C(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000737581546 600428957 /nfs/dbraw/zinc/42/89/57/600428957.db2.gz ZNMMVPQREOFXCI-OAHLLOKOSA-N -1 0 348.786 3.780 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)c2ccc(C3SCCS3)cc2)c1 ZINC000740244088 600434252 /nfs/dbraw/zinc/43/42/52/600434252.db2.gz CVEDGNVUZBFUSX-UHFFFAOYSA-N -1 0 346.433 3.511 20 0 EHADRM Cc1nc2ccccc2cc1C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738874929 600446446 /nfs/dbraw/zinc/44/64/46/600446446.db2.gz LPQBRLNMUXBWEW-QGZVFWFLSA-N -1 0 339.322 3.665 20 0 EHADRM Cc1noc(C)c1CC(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000738389563 600451157 /nfs/dbraw/zinc/45/11/57/600451157.db2.gz NVMKXJIFVXPJDY-UHFFFAOYSA-N -1 0 336.413 3.530 20 0 EHADRM C[C@H]1CCCC[C@H]1CCNC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736779018 600452023 /nfs/dbraw/zinc/45/20/23/600452023.db2.gz HYPHZLZOQYXZNY-KBPBESRZSA-N -1 0 330.428 3.626 20 0 EHADRM C[C@@H](CC(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1F ZINC000736555213 600454577 /nfs/dbraw/zinc/45/45/77/600454577.db2.gz CQBSGTFYUCWTTQ-GTNSWQLSSA-N -1 0 334.318 3.828 20 0 EHADRM C[C@@]1(C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)CCCc2ccccc21 ZINC000736728160 600454615 /nfs/dbraw/zinc/45/46/15/600454615.db2.gz JMJIFRSRLDDZEM-YLJYHZDGSA-N -1 0 342.366 3.789 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)NCC(C)(C)c2cccs2)cc1 ZINC000737332556 600455707 /nfs/dbraw/zinc/45/57/07/600455707.db2.gz QKXUXDIIKAPXNE-UHFFFAOYSA-N -1 0 347.440 3.962 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)N2CCC[C@@]3(CC=CCC3)C2)cc1 ZINC000739879106 600456098 /nfs/dbraw/zinc/45/60/98/600456098.db2.gz MPZNHWKDGSVLLA-IBGZPJMESA-N -1 0 328.412 3.668 20 0 EHADRM CC[C@H](NC(=O)NCCc1ccc(NC(=O)[O-])cc1)C1CCCCC1 ZINC000736914381 600457758 /nfs/dbraw/zinc/45/77/58/600457758.db2.gz SHLSOPNUHZERCJ-KRWDZBQOSA-N -1 0 347.459 3.977 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)OC(=O)/C=C\C2CCCCC2)c(C)c1C(=O)[O-] ZINC000738236849 600458308 /nfs/dbraw/zinc/45/83/08/600458308.db2.gz PUONBCKNDYIOFJ-XPSMFNQNSA-N -1 0 347.411 3.581 20 0 EHADRM CCc1ccc([C@H]2CCCN2C(=O)NCCCCCCC(=O)[O-])o1 ZINC000737258539 600465394 /nfs/dbraw/zinc/46/53/94/600465394.db2.gz HKPXGZJDEPWYEG-OAHLLOKOSA-N -1 0 336.432 3.724 20 0 EHADRM O=C([O-])[C@@H](OC(=O)CC/C=C/c1ccccc1)c1ccc(F)cc1 ZINC000739235427 600466303 /nfs/dbraw/zinc/46/63/03/600466303.db2.gz JSDQCRXJGJZLCC-PYJQOMOHSA-N -1 0 328.339 3.988 20 0 EHADRM O=C([O-])c1coc(COC(=O)C2(c3cccs3)CCCCC2)c1 ZINC000740266869 600467265 /nfs/dbraw/zinc/46/72/65/600467265.db2.gz BBZMCWSCDCWMPC-UHFFFAOYSA-N -1 0 334.393 3.985 20 0 EHADRM CC(C)[C@@H](OC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000736556598 600467630 /nfs/dbraw/zinc/46/76/30/600467630.db2.gz MBNHHAFBJTZVGA-IINYFYTJSA-N -1 0 332.318 3.851 20 0 EHADRM Nc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1Cl ZINC000739203840 600469485 /nfs/dbraw/zinc/46/94/85/600469485.db2.gz SIHMCGDDECZXJC-CYBMUJFWSA-N -1 0 340.162 3.558 20 0 EHADRM CC[C@@H](c1ccc(F)cc1)S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000736930229 600470695 /nfs/dbraw/zinc/47/06/95/600470695.db2.gz YPZWHNOTWVEPLU-INIZCTEOSA-N -1 0 336.384 3.590 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)Nc2ccccc2-c2cccs2)C1 ZINC000263513166 600473349 /nfs/dbraw/zinc/47/33/49/600473349.db2.gz YQINKZMVIWZKPG-LBPRGKRZSA-N -1 0 330.409 3.744 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)C2(c3ccc(F)cc3)CCCCC2)o1 ZINC000262139385 600475737 /nfs/dbraw/zinc/47/57/37/600475737.db2.gz LTXGQMMSUIVTLZ-UHFFFAOYSA-N -1 0 345.370 3.635 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)c2ccccc2OC2CCC2)cc1 ZINC000737335827 600476113 /nfs/dbraw/zinc/47/61/13/600476113.db2.gz JZVNRTMWWKGUAK-UHFFFAOYSA-N -1 0 340.379 3.984 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)[C@@H]2CSc3ccccc32)cc1 ZINC000737331323 600476163 /nfs/dbraw/zinc/47/61/63/600476163.db2.gz IAELUMZGLPQJEW-CQSZACIVSA-N -1 0 328.393 3.629 20 0 EHADRM O=C([O-])NCCCC(=O)Nc1ccnc(Oc2ccccc2Cl)c1 ZINC000739966181 600476759 /nfs/dbraw/zinc/47/67/59/600476759.db2.gz JHFISVGLAUPVRU-UHFFFAOYSA-N -1 0 349.774 3.514 20 0 EHADRM CN(Cc1ccc(NC(=O)[C@@H]2CSc3ccccc32)cc1)C(=O)[O-] ZINC000737477703 600476751 /nfs/dbraw/zinc/47/67/51/600476751.db2.gz KCCGEDGJSIGSCS-OAHLLOKOSA-N -1 0 342.420 3.624 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc3ncccc32)cc1Cl ZINC000238184254 600478706 /nfs/dbraw/zinc/47/87/06/600478706.db2.gz APNDVDMYVVZFJJ-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)Nc2ccc3nc(C4CC4)sc3c2)C1 ZINC000263504126 600479416 /nfs/dbraw/zinc/47/94/16/600479416.db2.gz UYRALAYBEVJNBZ-NSHDSACASA-N -1 0 345.424 3.502 20 0 EHADRM Cc1ccc([C@H](C)CNC(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000738551571 600479861 /nfs/dbraw/zinc/47/98/61/600479861.db2.gz JZTLHNMFXSLYMJ-CQSZACIVSA-N -1 0 326.396 3.547 20 0 EHADRM Cc1ccc(C)c(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c1 ZINC000237642818 600480301 /nfs/dbraw/zinc/48/03/01/600480301.db2.gz RKBXPRPYDLSVKM-UHFFFAOYSA-N -1 0 327.380 3.799 20 0 EHADRM CCO[C@H](C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000181502641 600480797 /nfs/dbraw/zinc/48/07/97/600480797.db2.gz OMKBHAAOHHEGKD-HNNXBMFYSA-N -1 0 333.771 3.755 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000417748410 600483517 /nfs/dbraw/zinc/48/35/17/600483517.db2.gz IDPSMVSSYSYZNY-UHFFFAOYSA-N -1 0 343.383 3.640 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(Cl)c(Cl)[nH]2)cc1Cl ZINC000048807069 600486332 /nfs/dbraw/zinc/48/63/32/600486332.db2.gz LNDOZBWQJBKHLK-UHFFFAOYSA-N -1 0 333.558 3.925 20 0 EHADRM COc1cccc(CCC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000237377723 600487118 /nfs/dbraw/zinc/48/71/18/600487118.db2.gz JTJLLLOVPDQJAR-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM CC[C@H](C)[C@H]1CCCCN1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000736880326 600487479 /nfs/dbraw/zinc/48/74/79/600487479.db2.gz NXCGHZIYJYYGPU-WMLDXEAASA-N -1 0 332.444 3.538 20 0 EHADRM CC(C)(NC(=O)NCCCCCCC(=O)[O-])c1cccc(Cl)c1 ZINC000736324945 600490642 /nfs/dbraw/zinc/49/06/42/600490642.db2.gz SDUUKDJPRHUHCS-UHFFFAOYSA-N -1 0 340.851 3.909 20 0 EHADRM O=C([O-])CCCOc1ccc(Nc2ncnc3cccc(F)c32)cc1 ZINC000739686833 600498861 /nfs/dbraw/zinc/49/88/61/600498861.db2.gz CBBBISAWLDMJTG-UHFFFAOYSA-N -1 0 341.342 3.756 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCCc2cccc(F)c2)cc1Cl ZINC000320540735 600508112 /nfs/dbraw/zinc/50/81/12/600508112.db2.gz QXFOHYLMFKYKHE-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM O=C([O-])c1ccc(C(=O)Oc2ccc(Br)c(F)c2)s1 ZINC000740120353 600521071 /nfs/dbraw/zinc/52/10/71/600521071.db2.gz FTRCFXNUGIJPIH-UHFFFAOYSA-N -1 0 345.145 3.567 20 0 EHADRM CCN(C(=O)c1ccc(OCC2CC2)cc1)c1ccccc1C(=O)[O-] ZINC000737059775 600524510 /nfs/dbraw/zinc/52/45/10/600524510.db2.gz VDICTTFMXZWCTP-UHFFFAOYSA-N -1 0 339.391 3.840 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N[C@H](c2ccccc2)C2CCCC2)o1 ZINC000739438509 600534068 /nfs/dbraw/zinc/53/40/68/600534068.db2.gz ZWBOVJWZVKFALZ-QGZVFWFLSA-N -1 0 342.395 3.709 20 0 EHADRM CC(C)(Oc1cccc(Cl)c1)C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC000736344034 600544974 /nfs/dbraw/zinc/54/49/74/600544974.db2.gz RHPZQIQXEORRNQ-UHFFFAOYSA-N -1 0 348.782 3.939 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)NC/C=C\c2ccccc2)ccc1F ZINC000740006322 600548486 /nfs/dbraw/zinc/54/84/86/600548486.db2.gz BFLYGLYVXUIWJA-DAXSKMNVSA-N -1 0 329.331 3.751 20 0 EHADRM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000736782228 600553047 /nfs/dbraw/zinc/55/30/47/600553047.db2.gz BXJMFLIXJRZLKI-YGRLFVJLSA-N -1 0 325.792 3.572 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000236752346 600559734 /nfs/dbraw/zinc/55/97/34/600559734.db2.gz KATYZSVRIADFOY-STQMWFEESA-N -1 0 344.238 3.809 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)[C@@H](C)c1c(Cl)cccc1Cl ZINC000666364107 600562309 /nfs/dbraw/zinc/56/23/09/600562309.db2.gz MQFXSEGPIIYUNF-JTQLQIEISA-N -1 0 332.227 3.809 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000236766445 600562836 /nfs/dbraw/zinc/56/28/36/600562836.db2.gz XVIZUDNLCHZBGU-UHFFFAOYSA-N -1 0 347.361 3.957 20 0 EHADRM CCc1[nH]c(C(=O)Nc2ccc(OCC3CC3)cc2)c(C)c1C(=O)[O-] ZINC000737246459 600564493 /nfs/dbraw/zinc/56/44/93/600564493.db2.gz UIVZZFKQTGCWEZ-UHFFFAOYSA-N -1 0 342.395 3.625 20 0 EHADRM Cc1nccc(-c2cccc(NC(=O)c3ccccc3NC(=O)[O-])c2)n1 ZINC000738889138 600570073 /nfs/dbraw/zinc/57/00/73/600570073.db2.gz QAJXTJYWGBPNGY-UHFFFAOYSA-N -1 0 348.362 3.794 20 0 EHADRM CCOC(=O)Nc1ccc(NC(=O)c2ccccc2NC(=O)[O-])cc1 ZINC000737147795 600570838 /nfs/dbraw/zinc/57/08/38/600570838.db2.gz ZIWGVBJQMREBNZ-UHFFFAOYSA-N -1 0 343.339 3.597 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)C2(c3cccc(F)c3)CC2)cc1 ZINC000238036391 600572299 /nfs/dbraw/zinc/57/22/99/600572299.db2.gz HGKCBSUOJSQMGV-UHFFFAOYSA-N -1 0 327.355 3.513 20 0 EHADRM CC(=O)Nc1cc(NC(=O)c2ccccc2NC(=O)[O-])ccc1Cl ZINC000736161944 600574217 /nfs/dbraw/zinc/57/42/17/600574217.db2.gz XUPNVMZQBOHUFO-UHFFFAOYSA-N -1 0 347.758 3.641 20 0 EHADRM Cc1ccc(C(=O)O[C@H](CC(C)C)C(=O)[O-])cc1Oc1ccncc1 ZINC000738546375 600574425 /nfs/dbraw/zinc/57/44/25/600574425.db2.gz WJUPNUZORRVTTQ-QGZVFWFLSA-N -1 0 343.379 3.838 20 0 EHADRM Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1ccccc1NC(=O)[O-] ZINC000738688534 600574573 /nfs/dbraw/zinc/57/45/73/600574573.db2.gz JNNNQEUMOXLIRG-CQSZACIVSA-N -1 0 342.395 3.591 20 0 EHADRM CC(C)n1ncc2ccc(NC(=O)c3ccccc3NC(=O)[O-])cc21 ZINC000736539555 600575519 /nfs/dbraw/zinc/57/55/19/600575519.db2.gz JPQOFCNYVPRHLE-UHFFFAOYSA-N -1 0 338.367 3.959 20 0 EHADRM CC(C)c1ccc(CN(C(=O)CS[C@H](C)CC(=O)[O-])C2CC2)cc1 ZINC000736550195 600581235 /nfs/dbraw/zinc/58/12/35/600581235.db2.gz CTPCOUXRZYUOOX-CQSZACIVSA-N -1 0 349.496 3.897 20 0 EHADRM COc1ccc(NC(=S)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000738039749 600582785 /nfs/dbraw/zinc/58/27/85/600582785.db2.gz OADPSRPVBRNJCO-UHFFFAOYSA-N -1 0 336.800 3.856 20 0 EHADRM Cc1c(Cl)cccc1OCC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000675966652 600584427 /nfs/dbraw/zinc/58/44/27/600584427.db2.gz NOERWZOOYZKFRF-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)S[C@@H](C)CC(=O)[O-] ZINC000737887494 600587259 /nfs/dbraw/zinc/58/72/59/600587259.db2.gz VLNHUQFGISUTDU-VHSXEESVSA-N -1 0 345.848 3.580 20 0 EHADRM Cc1cc(C(=O)CS[C@@H](C)CC(=O)[O-])c(C)n1CCC(C)C ZINC000738318832 600587847 /nfs/dbraw/zinc/58/78/47/600587847.db2.gz FGVKTETWRQUNCF-ZDUSSCGKSA-N -1 0 325.474 3.930 20 0 EHADRM C[C@@H](S[C@@H](C)CC(=O)[O-])C(=O)Nc1ccccc1C(F)(F)F ZINC000736551850 600590089 /nfs/dbraw/zinc/59/00/89/600590089.db2.gz LBWZQTIPALMFPQ-DTWKUNHWSA-N -1 0 335.347 3.629 20 0 EHADRM CN(C(=O)c1cc2ccc(F)cc2s1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737336986 600595509 /nfs/dbraw/zinc/59/55/09/600595509.db2.gz RPOKQQSEEKORTI-MRXNPFEDSA-N -1 0 343.379 3.938 20 0 EHADRM Cc1cc(C)c(C(=O)CCCC(=O)N(CCC(=O)[O-])C(C)C)c(C)c1 ZINC000738351354 600596786 /nfs/dbraw/zinc/59/67/86/600596786.db2.gz JTNDAJGKCLFXFJ-UHFFFAOYSA-N -1 0 347.455 3.677 20 0 EHADRM C[C@H](CSC[C@H](O)Cn1c2ccccc2c2ccccc21)C(=O)[O-] ZINC000736613014 600600449 /nfs/dbraw/zinc/60/04/49/600600449.db2.gz GIPFTAJFWVDLPT-ZIAGYGMSSA-N -1 0 343.448 3.609 20 0 EHADRM Cc1ccc(OCc2nc(CSC[C@H](C)C(=O)[O-])cs2)cc1 ZINC000738649748 600600686 /nfs/dbraw/zinc/60/06/86/600600686.db2.gz XKZCWHWYXXENHT-LBPRGKRZSA-N -1 0 337.466 3.984 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)o1 ZINC000736762418 600601389 /nfs/dbraw/zinc/60/13/89/600601389.db2.gz ATQKEHDBSUWNNZ-ACWOFJMJSA-N -1 0 341.407 3.620 20 0 EHADRM Cc1sc2[nH]c([C@@H](C)SC[C@H](C)C(=O)[O-])nc(=O)c2c1C ZINC000738995496 600603120 /nfs/dbraw/zinc/60/31/20/600603120.db2.gz CQRWZUURIVNTRC-IMTBSYHQSA-N -1 0 326.443 3.529 20 0 EHADRM O=C([O-])CN(C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)c1ccccc1 ZINC000156264698 600604046 /nfs/dbraw/zinc/60/40/46/600604046.db2.gz IHBZXVRGDNTHPY-CVEARBPZSA-N -1 0 329.783 3.561 20 0 EHADRM Cc1cc2occ(CC(=O)N(CC(=O)[O-])c3ccccc3)c2cc1C ZINC000337741343 600604582 /nfs/dbraw/zinc/60/45/82/600604582.db2.gz LOVCTHJQHMLLIQ-UHFFFAOYSA-N -1 0 337.375 3.710 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)C[C@@H]1CCc2ccccc21 ZINC000675946537 600607786 /nfs/dbraw/zinc/60/77/86/600607786.db2.gz IUSYNYDFZNEOGE-SFHVURJKSA-N -1 0 337.419 3.610 20 0 EHADRM CCC[C@@H](CC1CCCCC1)C(=O)Nc1cc(C(=O)[O-])c[nH]c1=O ZINC000736971203 600617192 /nfs/dbraw/zinc/61/71/92/600617192.db2.gz RMORMEGZAQDDAK-ZDUSSCGKSA-N -1 0 334.416 3.811 20 0 EHADRM CCOc1cc(C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)ccc1C ZINC000737185867 600617436 /nfs/dbraw/zinc/61/74/36/600617436.db2.gz BEYDTVJDTJJGHC-UHFFFAOYSA-N -1 0 328.368 3.760 20 0 EHADRM C[C@@H](C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-])C(C)(C)C ZINC000439893700 600617741 /nfs/dbraw/zinc/61/77/41/600617741.db2.gz MBMUSNJCXJRAFK-YOEHRIQHSA-N -1 0 341.451 3.882 20 0 EHADRM C[C@@H](C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-])C(C)(C)C ZINC000439893698 600617836 /nfs/dbraw/zinc/61/78/36/600617836.db2.gz MBMUSNJCXJRAFK-WMLDXEAASA-N -1 0 341.451 3.882 20 0 EHADRM C[C@H]1C[C@H](NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C[C@@H](C)C1 ZINC000321055653 600623686 /nfs/dbraw/zinc/62/36/86/600623686.db2.gz YGWOBZQARMZGGW-MYJAWHEDSA-N -1 0 326.343 3.609 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1OCCC(C)C ZINC000262990603 600627326 /nfs/dbraw/zinc/62/73/26/600627326.db2.gz DMBFGFULRLLCFR-OAHLLOKOSA-N -1 0 348.443 3.748 20 0 EHADRM CCC[C@@H](CC1CCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000736972464 600629134 /nfs/dbraw/zinc/62/91/34/600629134.db2.gz XWXGCFLQBKLELU-ROUUACIJSA-N -1 0 331.456 3.795 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)c2ccccc2N2CCCCC2)cc1 ZINC000740026807 600630625 /nfs/dbraw/zinc/63/06/25/600630625.db2.gz DTOFBVZZJGIJFV-UHFFFAOYSA-N -1 0 340.379 3.986 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1cccc(Nc2ccccc2)c1)C(=O)[O-] ZINC000736243340 600643209 /nfs/dbraw/zinc/64/32/09/600643209.db2.gz BVRWEYTVCHDVSP-INIZCTEOSA-N -1 0 326.396 3.659 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@@H](C(=O)[O-])C(C)(C)C ZINC000736621965 600643236 /nfs/dbraw/zinc/64/32/36/600643236.db2.gz HYXUTCNQLRCJNT-ZANVPECISA-N -1 0 346.254 3.788 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)[O-] ZINC000314910339 600645337 /nfs/dbraw/zinc/64/53/37/600645337.db2.gz LMAPXEFCJFUZFQ-GFCCVEGCSA-N -1 0 343.807 3.923 20 0 EHADRM CCN(C(=O)C[C@@H](C)c1ccccc1OC)c1ccccc1C(=O)[O-] ZINC000737052272 600647305 /nfs/dbraw/zinc/64/73/05/600647305.db2.gz HJWDZTHDSMZYPJ-CQSZACIVSA-N -1 0 341.407 3.940 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N[C@H](C(=O)[O-])c2cccs2)cc1 ZINC000448993639 600661018 /nfs/dbraw/zinc/66/10/18/600661018.db2.gz NSIMXVIJZSWCIL-UXLLHSPISA-N -1 0 343.448 3.917 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cnc(-c2ccco2)s1)c1ccccc1F ZINC000833351200 600661834 /nfs/dbraw/zinc/66/18/34/600661834.db2.gz JMBIEEPNIWCCGD-CYBMUJFWSA-N -1 0 347.323 3.525 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)c1ccc(-c2ccccc2F)o1 ZINC000739891358 600676403 /nfs/dbraw/zinc/67/64/03/600676403.db2.gz FIBKYVSKISDOKN-UHFFFAOYSA-N -1 0 340.306 3.932 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NCCCOc1cccc(Cl)c1 ZINC000738474918 600676712 /nfs/dbraw/zinc/67/67/12/600676712.db2.gz RWHIXQKTNXGJTN-UHFFFAOYSA-N -1 0 349.814 3.993 20 0 EHADRM O=C([O-])c1ccc(-c2noc([C@@H]3C[C@H]3c3cc(F)ccc3F)n2)cc1 ZINC000833309054 600693348 /nfs/dbraw/zinc/69/33/48/600693348.db2.gz XKKNBVGOOJSYSP-GXTWGEPZSA-N -1 0 342.301 3.984 20 0 EHADRM O=C([O-])c1ccc(-c2noc([C@H]3C[C@]34CCc3ccccc34)n2)cc1 ZINC000833309077 600693415 /nfs/dbraw/zinc/69/34/15/600693415.db2.gz XUPKBUZAUKKHBB-UZLBHIALSA-N -1 0 332.359 3.806 20 0 EHADRM O=C([O-])c1ccc(-c2noc([C@H]3C[C@@]34CCOc3ccccc34)n2)cc1 ZINC000833308405 600693462 /nfs/dbraw/zinc/69/34/62/600693462.db2.gz PBKZYPRLXOVJMT-FOIQADDNSA-N -1 0 348.358 3.643 20 0 EHADRM O=C([O-])c1cccc(-c2noc(-c3cc(-c4cccs4)on3)n2)c1 ZINC000833326359 600694759 /nfs/dbraw/zinc/69/47/59/600694759.db2.gz KEFIEYABFAXWOJ-UHFFFAOYSA-N -1 0 339.332 3.818 20 0 EHADRM O=C([O-])c1cccc(-c2noc(CCc3c[nH]c4ccccc34)n2)c1 ZINC000833327796 600695996 /nfs/dbraw/zinc/69/59/96/600695996.db2.gz GIUWJXSFSWZHMN-UHFFFAOYSA-N -1 0 333.347 3.701 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)cc1 ZINC000833314344 600696653 /nfs/dbraw/zinc/69/66/53/600696653.db2.gz HXCDDIRPTBWHSX-KGLIPLIRSA-N -1 0 332.302 3.510 20 0 EHADRM O=C([O-])c1cccc(-c2noc([C@@H]3C[C@H]3c3cc(F)ccc3F)n2)c1 ZINC000833327526 600697186 /nfs/dbraw/zinc/69/71/86/600697186.db2.gz BBRUAMCDMVCTSR-GXTWGEPZSA-N -1 0 342.301 3.984 20 0 EHADRM O=C([O-])c1cccc(-c2noc(C[C@@H]3CCc4ccccc4C3)n2)c1 ZINC000833328115 600700883 /nfs/dbraw/zinc/70/08/83/600700883.db2.gz WJFPBEJCTOXIMI-CYBMUJFWSA-N -1 0 334.375 3.782 20 0 EHADRM C[C@H](C(=O)O[C@@H](C(=O)[O-])c1ccccc1F)c1cccc(Cl)c1 ZINC000826064430 600701196 /nfs/dbraw/zinc/70/11/96/600701196.db2.gz JXYLHAACGSTPOR-ZUZCIYMTSA-N -1 0 336.746 3.952 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000827427125 600721661 /nfs/dbraw/zinc/72/16/61/600721661.db2.gz BIVISYVGUXUXCM-GFCCVEGCSA-N -1 0 348.345 3.975 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000827427126 600721667 /nfs/dbraw/zinc/72/16/67/600721667.db2.gz BIVISYVGUXUXCM-LBPRGKRZSA-N -1 0 348.345 3.975 20 0 EHADRM Cc1oc(COC(=O)CCc2c[nH]c3cc(C)ccc23)cc1C(=O)[O-] ZINC000832959570 600741067 /nfs/dbraw/zinc/74/10/67/600741067.db2.gz HUMHFFSPJLZZDC-UHFFFAOYSA-N -1 0 341.363 3.752 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cc(Oc3ccccc3)ccn2)o1 ZINC000833353580 600741531 /nfs/dbraw/zinc/74/15/31/600741531.db2.gz VYMSHGQJRPAUMK-UHFFFAOYSA-N -1 0 339.303 3.522 20 0 EHADRM CCOC(=O)N(C)c1ccc(N[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000829857957 600742053 /nfs/dbraw/zinc/74/20/53/600742053.db2.gz VWLWZSHCKSCBDB-INIZCTEOSA-N -1 0 346.358 3.656 20 0 EHADRM C[C@H]1C[C@H](C)N(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)C1 ZINC000736755192 600746567 /nfs/dbraw/zinc/74/65/67/600746567.db2.gz KZDCWLGLUGCJIK-STQMWFEESA-N -1 0 336.457 3.657 20 0 EHADRM CC[C@@H]1CCC[C@H](NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C1 ZINC000736938909 600747358 /nfs/dbraw/zinc/74/73/58/600747358.db2.gz AMRQLKDVKZYAEC-CJNGLKHVSA-N -1 0 333.432 3.887 20 0 EHADRM CCC[C@H](CCc1ccccc1)NC(=O)N1CCC(CC(=O)[O-])CC1 ZINC000829222283 600754047 /nfs/dbraw/zinc/75/40/47/600754047.db2.gz AUBIQJOJNFJYNB-GOSISDBHSA-N -1 0 346.471 3.684 20 0 EHADRM COc1cccc(F)c1[C@H](C)N[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000832558847 600755810 /nfs/dbraw/zinc/75/58/10/600755810.db2.gz QFEJBRMOQXQJHJ-QFYYESIMSA-N -1 0 337.778 3.964 20 0 EHADRM Cc1ccc2cccc(C(=O)N(C)Cc3ccc(C(=O)[O-])cc3)c2n1 ZINC000190919174 600768591 /nfs/dbraw/zinc/76/85/91/600768591.db2.gz RUFSFFJCGXVZTD-UHFFFAOYSA-N -1 0 334.375 3.514 20 0 EHADRM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000832856968 600776102 /nfs/dbraw/zinc/77/61/02/600776102.db2.gz WVFUIRARLMPRQA-HZPDHXFCSA-N -1 0 348.487 3.928 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NC(C)(C)CC(=O)[O-] ZINC000736622600 600781629 /nfs/dbraw/zinc/78/16/29/600781629.db2.gz REJINNQLWIHTHO-SECBINFHSA-N -1 0 332.227 3.542 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)ccc1F ZINC000776630252 600784398 /nfs/dbraw/zinc/78/43/98/600784398.db2.gz DVDMBJFADMSJKU-JXFKEZNVSA-N -1 0 339.366 3.757 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)cc1 ZINC000833291158 600785778 /nfs/dbraw/zinc/78/57/78/600785778.db2.gz YWTAREMRLAJEIH-FXAWDEMLSA-N -1 0 337.375 3.976 20 0 EHADRM CCc1ccc(C(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)cc1 ZINC000237134967 600795384 /nfs/dbraw/zinc/79/53/84/600795384.db2.gz RDOLAJQHGNTLKC-UHFFFAOYSA-N -1 0 347.361 3.644 20 0 EHADRM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1)c1cccs1 ZINC000776679068 600801015 /nfs/dbraw/zinc/80/10/15/600801015.db2.gz UAZJWUXASKYRED-MFKMUULPSA-N -1 0 337.828 3.837 20 0 EHADRM Cc1nc(SCCOc2ccc(C(=O)[O-])cc2Cl)oc1C ZINC000833004846 600802966 /nfs/dbraw/zinc/80/29/66/600802966.db2.gz JJWOUZAUCZATOQ-UHFFFAOYSA-N -1 0 327.789 3.814 20 0 EHADRM O=C([O-])c1ccsc1N1CC[C@H](SC2CCCCC2)C1=O ZINC000833337794 600805067 /nfs/dbraw/zinc/80/50/67/600805067.db2.gz FHUJWFFEEOIMSD-LBPRGKRZSA-N -1 0 325.455 3.618 20 0 EHADRM Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)cc1C ZINC000776676031 600805817 /nfs/dbraw/zinc/80/58/17/600805817.db2.gz ZYZYCPWIOBNYSM-MRXNPFEDSA-N -1 0 331.799 3.903 20 0 EHADRM Cc1ccccc1-c1noc([C@@H](C)N2Cc3ccc(C(=O)[O-])cc3C2)n1 ZINC000659791127 600820641 /nfs/dbraw/zinc/82/06/41/600820641.db2.gz RASSLOQHLORPSC-CYBMUJFWSA-N -1 0 349.390 3.820 20 0 EHADRM C[C@H](CNc1nc(Cl)c(C(=O)[O-])s1)c1ccc(F)cc1F ZINC000827513185 600825146 /nfs/dbraw/zinc/82/51/46/600825146.db2.gz ZAQCYNGSZFKDDC-ZCFIWIBFSA-N -1 0 332.759 3.989 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000740235844 600828789 /nfs/dbraw/zinc/82/87/89/600828789.db2.gz RLSWAEUOKBSDCA-SJORKVTESA-N -1 0 327.424 3.880 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000740077651 600833441 /nfs/dbraw/zinc/83/34/41/600833441.db2.gz NVKVQENFLUKZFJ-CMPLNLGQSA-N -1 0 335.281 3.544 20 0 EHADRM Cc1nnc(S[C@@H](C(=O)[O-])c2ccccc2F)n1-c1ccccc1 ZINC000833020729 600834114 /nfs/dbraw/zinc/83/41/14/600834114.db2.gz ASVZLIWVAQOFJP-OAHLLOKOSA-N -1 0 343.383 3.633 20 0 EHADRM O=C([O-])[C@H](Sc1nnc(-c2ccccc2)o1)c1ccccc1F ZINC000833168958 600834128 /nfs/dbraw/zinc/83/41/28/600834128.db2.gz GVTYCTNOLLGBMK-CYBMUJFWSA-N -1 0 330.340 3.794 20 0 EHADRM CN(Cc1ccccc1C(F)(F)F)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000179953171 600835216 /nfs/dbraw/zinc/83/52/16/600835216.db2.gz GVUNNUWHWSMKRU-VXGBXAGGSA-N -1 0 343.345 3.555 20 0 EHADRM Cc1ccc(-c2nc(S[C@@H](C(=O)[O-])c3ccccc3F)n[nH]2)cc1 ZINC000832907801 600835265 /nfs/dbraw/zinc/83/52/65/600835265.db2.gz MSYKRENNXVHEBQ-CQSZACIVSA-N -1 0 343.383 3.837 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)cc1 ZINC000737330827 600835935 /nfs/dbraw/zinc/83/59/35/600835935.db2.gz FWLXLAQDUJDYGD-UONOGXRCSA-N -1 0 346.333 3.821 20 0 EHADRM CC/C(=C\C(=O)N[C@@H](C(=O)[O-])c1cccs1)c1ccc(C)cc1 ZINC000736833396 600837444 /nfs/dbraw/zinc/83/74/44/600837444.db2.gz CKRUHPLJKJPKNE-MLFXKNMZSA-N -1 0 329.421 3.792 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)cc1 ZINC000238048676 600839607 /nfs/dbraw/zinc/83/96/07/600839607.db2.gz DGDZFNWUEYYXCJ-GJZGRUSLSA-N -1 0 345.345 3.724 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)c(F)c1 ZINC000479495837 600839867 /nfs/dbraw/zinc/83/98/67/600839867.db2.gz IGTBCNJLLGRVNJ-PWSUYJOCSA-N -1 0 335.281 3.544 20 0 EHADRM COC(=O)[C@H](S[C@@H](C)CC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000831085151 600840075 /nfs/dbraw/zinc/84/00/75/600840075.db2.gz WWQWCJYAMSQTJV-JVXZTZIISA-N -1 0 337.224 3.804 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000740066253 600840465 /nfs/dbraw/zinc/84/04/65/600840465.db2.gz OZLUSKNFVRWVLN-ONGXEEELSA-N -1 0 335.281 3.544 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)C2CCC(c3ccccc3)CC2)cc1 ZINC000238106666 600846548 /nfs/dbraw/zinc/84/65/48/600846548.db2.gz MQENFULGUZVYOT-UHFFFAOYSA-N -1 0 337.419 3.975 20 0 EHADRM Cc1ccc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cc1Cl ZINC000322352641 600847207 /nfs/dbraw/zinc/84/72/07/600847207.db2.gz UVPRAYRCHORNBZ-ZDUSSCGKSA-N -1 0 329.783 3.867 20 0 EHADRM Cc1c2ccccc2oc1C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000327134101 600851823 /nfs/dbraw/zinc/85/18/23/600851823.db2.gz AIRLLNOLKXGMIJ-CYBMUJFWSA-N -1 0 335.359 3.960 20 0 EHADRM COc1ccc(Cl)cc1C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000325375697 600859036 /nfs/dbraw/zinc/85/90/36/600859036.db2.gz UTKIGIXLCFTWHK-NSHDSACASA-N -1 0 345.782 3.567 20 0 EHADRM COc1ccc2ccc(OC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)cc2c1 ZINC000832504184 600873412 /nfs/dbraw/zinc/87/34/12/600873412.db2.gz FYKSHOZYOSPXTF-UONOGXRCSA-N -1 0 328.364 3.645 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@@H]2CSc3ccccc32)cc1 ZINC000261775720 600877755 /nfs/dbraw/zinc/87/77/55/600877755.db2.gz XJGHYCHAAMODCH-OAHLLOKOSA-N -1 0 341.432 3.877 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccc(Cl)c3ncccc23)C1 ZINC000323967599 600878902 /nfs/dbraw/zinc/87/89/02/600878902.db2.gz VJYRUCUAPUASDI-WDEREUQCSA-N -1 0 332.787 3.718 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cccc3ncccc32)cc1 ZINC000327501035 600879424 /nfs/dbraw/zinc/87/94/24/600879424.db2.gz FDPDUTHTKQUSTP-UHFFFAOYSA-N -1 0 334.375 3.849 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)CCC(=O)c2cccs2)cc1 ZINC000263304032 600881151 /nfs/dbraw/zinc/88/11/51/600881151.db2.gz VHILPSKTZWNSLS-UHFFFAOYSA-N -1 0 345.420 3.712 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)CCc2ccc(F)cc2)cc1 ZINC000261624981 600882673 /nfs/dbraw/zinc/88/26/73/600882673.db2.gz GPINNXUPNBXDEZ-UHFFFAOYSA-N -1 0 329.371 3.759 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C(C)(C)c2ccccc2)cc1 ZINC000261608908 600883491 /nfs/dbraw/zinc/88/34/91/600883491.db2.gz DHMMTSSDIHSEMU-UHFFFAOYSA-N -1 0 325.408 3.965 20 0 EHADRM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(C(=O)[O-])cc2)C12CCCCC2 ZINC000236967993 600884593 /nfs/dbraw/zinc/88/45/93/600884593.db2.gz HKSXDCXDCALYOR-SJORKVTESA-N -1 0 345.439 3.585 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NCc2cccc(Cl)c2Cl)C1 ZINC000565043891 600885386 /nfs/dbraw/zinc/88/53/86/600885386.db2.gz NSHIRRGDIZLLQU-NXEZZACHSA-N -1 0 330.211 3.501 20 0 EHADRM CN(C(=O)c1ccc(OC2CCC2)cc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000830528168 600889232 /nfs/dbraw/zinc/88/92/32/600889232.db2.gz IGGRUCQOSZXLQD-GOSISDBHSA-N -1 0 339.391 3.516 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ncc(Cc3ccccc3)s2)C1 ZINC000833189986 600894514 /nfs/dbraw/zinc/89/45/14/600894514.db2.gz VMQKYHVKLCHFNQ-UONOGXRCSA-N -1 0 344.436 3.563 20 0 EHADRM COc1cc(C(=O)[O-])cc(N[C@H](C)CCc2ccccc2)c1OC ZINC000831913726 600894821 /nfs/dbraw/zinc/89/48/21/600894821.db2.gz VFDDURDUNDWOTN-CYBMUJFWSA-N -1 0 329.396 3.835 20 0 EHADRM CCOc1ccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1Cl ZINC000261988026 600894994 /nfs/dbraw/zinc/89/49/94/600894994.db2.gz BCUGLOBYDVAMMR-GHMZBOCLSA-N -1 0 325.792 3.568 20 0 EHADRM CCCCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])s2)cc1OC ZINC000829421895 600899838 /nfs/dbraw/zinc/89/98/38/600899838.db2.gz LTUDZEQRLZHCRA-UHFFFAOYSA-N -1 0 349.408 3.886 20 0 EHADRM CCOc1ccc(OC(C)(C)C(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC000830088662 600904077 /nfs/dbraw/zinc/90/40/77/600904077.db2.gz GNWFRPRBAFJXPF-UHFFFAOYSA-N -1 0 349.408 3.641 20 0 EHADRM CCOc1ccc(CN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)C(C)C)cc1 ZINC000830070747 600915589 /nfs/dbraw/zinc/91/55/89/600915589.db2.gz GUSBEBSWCKUSAG-IAGOWNOFSA-N -1 0 347.455 3.713 20 0 EHADRM CCc1cnc(NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])s1 ZINC000830299437 600920520 /nfs/dbraw/zinc/92/05/20/600920520.db2.gz POXBUXRUYRMNLF-VIFPVBQESA-N -1 0 336.438 3.523 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1ccccc1SC(F)(F)F)C(=O)[O-] ZINC000391304479 600924613 /nfs/dbraw/zinc/92/46/13/600924613.db2.gz UMSYNQWPZGPPTD-SNVBAGLBSA-N -1 0 349.374 3.775 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C/C(=O)NC(CC)(CC)C(=O)[O-] ZINC000808520802 600924664 /nfs/dbraw/zinc/92/46/64/600924664.db2.gz YGYMMQPOJDMXLF-XTZCOPOCSA-N -1 0 333.428 3.637 20 0 EHADRM CCC(CC)(NC(=O)c1cccc(OCc2cccs2)c1)C(=O)[O-] ZINC000342515534 600924669 /nfs/dbraw/zinc/92/46/69/600924669.db2.gz AEHSNBOSIWEHHR-UHFFFAOYSA-N -1 0 347.436 3.700 20 0 EHADRM CCC(CC)(NC(=O)/C=C\c1ccc2cc(OC)ccc2c1)C(=O)[O-] ZINC000808518935 600928261 /nfs/dbraw/zinc/92/82/61/600928261.db2.gz SIKSGCWBKLQNFY-XFFZJAGNSA-N -1 0 341.407 3.621 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)cc1 ZINC000833266166 600939465 /nfs/dbraw/zinc/93/94/65/600939465.db2.gz LJHBTGCXCROIOB-GHTZIAJQSA-N -1 0 336.387 3.513 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1OC(=O)Cc1cc(F)ccc1F ZINC000833117525 600940638 /nfs/dbraw/zinc/94/06/38/600940638.db2.gz XWLICVWVBVMQSY-UHFFFAOYSA-N -1 0 342.297 3.964 20 0 EHADRM O=C([O-])c1ccc(OC(=O)[C@@H]2SCCc3ccccc32)c(Cl)c1 ZINC000833321923 600941171 /nfs/dbraw/zinc/94/11/71/600941171.db2.gz RCXXRPCIQNTKGB-OAHLLOKOSA-N -1 0 348.807 3.974 20 0 EHADRM Cc1oc(COC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)cc1C(=O)[O-] ZINC000833027255 600942329 /nfs/dbraw/zinc/94/23/29/600942329.db2.gz QTIRCYLSSCKBSQ-FXAWDEMLSA-N -1 0 340.375 3.624 20 0 EHADRM CCN(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)C12CC3CC(CC(C3)C1)C2 ZINC000829591683 600945071 /nfs/dbraw/zinc/94/50/71/600945071.db2.gz WLBKSMCKJHCJNR-YXYZJKKLSA-N -1 0 333.472 3.695 20 0 EHADRM Cc1ccc(OC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)c(C(=O)[O-])c1 ZINC000832952754 600946225 /nfs/dbraw/zinc/94/62/25/600946225.db2.gz CHPPHDSAGBBMLR-NEPJUHHUSA-N -1 0 332.302 3.681 20 0 EHADRM CC(C)C[C@@H](OC(=O)[C@@H](C)Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000826813413 600948965 /nfs/dbraw/zinc/94/89/65/600948965.db2.gz OLKNRXUQZGKBPH-ZWNOBZJWSA-N -1 0 330.833 3.863 20 0 EHADRM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000236700959 600955028 /nfs/dbraw/zinc/95/50/28/600955028.db2.gz HTZWVPFXAGVGJH-KRWDZBQOSA-N -1 0 329.371 3.521 20 0 EHADRM CC(C)c1ccc(CCCNC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000498614989 600957771 /nfs/dbraw/zinc/95/77/71/600957771.db2.gz HSOXLAHUVKCQAG-ROUUACIJSA-N -1 0 331.456 3.750 20 0 EHADRM Cc1c(Br)cccc1C(=O)Oc1ccccc1CC(=O)[O-] ZINC000832850038 600959149 /nfs/dbraw/zinc/95/91/49/600959149.db2.gz YNUBVUGHWVJWHQ-UHFFFAOYSA-N -1 0 349.180 3.604 20 0 EHADRM O=C([O-])c1cccc(C(=O)Oc2ccc(OC(F)(F)F)cc2)c1 ZINC000833328567 600963859 /nfs/dbraw/zinc/96/38/59/600963859.db2.gz PABUMXINVPBKAO-UHFFFAOYSA-N -1 0 326.226 3.503 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc(COC3CCCC3)cc2)C1 ZINC000180015348 600965281 /nfs/dbraw/zinc/96/52/81/600965281.db2.gz KHIMPLDKKOZOAF-CVEARBPZSA-N -1 0 345.439 3.975 20 0 EHADRM Cc1cc(NC(=O)[C@@]2(C)CCc3ccccc3C2)sc1C(=O)[O-] ZINC000832892548 600965663 /nfs/dbraw/zinc/96/56/63/600965663.db2.gz AZCQCGLEZITLGF-SFHVURJKSA-N -1 0 329.421 3.888 20 0 EHADRM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2ccc(C(=O)[O-])nc2)o1 ZINC000236984064 600967220 /nfs/dbraw/zinc/96/72/20/600967220.db2.gz APRHYMGALMPPKN-MLGOLLRUSA-N -1 0 342.395 3.549 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000827428480 600970216 /nfs/dbraw/zinc/97/02/16/600970216.db2.gz XCAOBSIZUKZUIB-NSHDSACASA-N -1 0 333.334 3.870 20 0 EHADRM C[C@H]1CC[C@H](CCC(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])O1 ZINC000828221847 600970293 /nfs/dbraw/zinc/97/02/93/600970293.db2.gz ZQUYBXLCGROGIE-GXSJLCMTSA-N -1 0 345.317 3.690 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N3CCCC[C@@H]3CC(=O)[O-])o2)cc1 ZINC000679396700 600971079 /nfs/dbraw/zinc/97/10/79/600971079.db2.gz AZQYNFIHDNBFSL-MRXNPFEDSA-N -1 0 341.407 3.978 20 0 EHADRM C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)CC[C@H]1c1ccccc1 ZINC000245763138 600971507 /nfs/dbraw/zinc/97/15/07/600971507.db2.gz VXAKKFYYSPUQHW-VDHUWJSZSA-N -1 0 329.440 3.530 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)[C@@H](C)CCc1ccccc1F ZINC000832523961 600971543 /nfs/dbraw/zinc/97/15/43/600971543.db2.gz OBIQWTRLEBENBB-LBPRGKRZSA-N -1 0 346.354 3.707 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2cccc(Oc3ccccn3)c2)C1 ZINC000191589404 600977627 /nfs/dbraw/zinc/97/76/27/600977627.db2.gz UXDIJDZZSVNXNA-KBPBESRZSA-N -1 0 340.379 3.703 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)Nc1cccc2ccccc21)c1ccccc1 ZINC000327523534 600994588 /nfs/dbraw/zinc/99/45/88/600994588.db2.gz SXDZYRNIPDURMF-KRWDZBQOSA-N -1 0 334.375 3.830 20 0 EHADRM O=C([O-])c1cnc(/C=C/c2ccc(Oc3cnccn3)cc2)s1 ZINC000437508979 600994685 /nfs/dbraw/zinc/99/46/85/600994685.db2.gz SREAAGQGONCNQD-ZZXKWVIFSA-N -1 0 325.349 3.594 20 0 EHADRM CCC(CC)c1cc(CNC(=O)Nc2cc(C(=O)[O-])ccc2C)on1 ZINC000828861588 600996620 /nfs/dbraw/zinc/99/66/20/600996620.db2.gz BPOCITFNEPEIHT-UHFFFAOYSA-N -1 0 345.399 3.907 20 0 EHADRM O=C([O-])[C@@H](c1ccccc1F)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000582910795 600998601 /nfs/dbraw/zinc/99/86/01/600998601.db2.gz VLVBPAMWJZUQBW-IAGOWNOFSA-N -1 0 349.789 3.678 20 0 EHADRM C[C@H](C(=O)N[C@H](CC(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC000345787657 600998810 /nfs/dbraw/zinc/99/88/10/600998810.db2.gz WGYKAYPGIYXGGG-BLLLJJGKSA-N -1 0 331.799 3.776 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)[C@H]1CCSc2ccccc21)c1cccs1 ZINC000739626876 601000093 /nfs/dbraw/zinc/00/00/93/601000093.db2.gz LLZHYXJMFGXSJZ-QWHCGFSZSA-N -1 0 347.461 3.660 20 0 EHADRM CCC[C@@](C)(NC(=O)c1sc2ccc(OC)cc2c1C)C(=O)[O-] ZINC000236985737 601000781 /nfs/dbraw/zinc/00/07/81/601000781.db2.gz AACGIDDNMQXSAZ-QGZVFWFLSA-N -1 0 335.425 3.592 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)OCc2ccc(C(=O)[O-])o2)c1 ZINC000736343883 601002928 /nfs/dbraw/zinc/00/29/28/601002928.db2.gz QTZPLFYSWJTQGW-UHFFFAOYSA-N -1 0 330.336 3.680 20 0 EHADRM COc1ccc2sc(C(=O)N(C[C@@H](C)C(=O)[O-])C3CC3)c(C)c2c1 ZINC000237324530 601006633 /nfs/dbraw/zinc/00/66/33/601006633.db2.gz OVXLSBRMCRMJKO-SNVBAGLBSA-N -1 0 347.436 3.544 20 0 EHADRM COc1ccc([C@@H](C)CCNC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000832220871 601009018 /nfs/dbraw/zinc/00/90/18/601009018.db2.gz JTYLDNGQVHYOKW-ZDUSSCGKSA-N -1 0 342.395 3.709 20 0 EHADRM C[C@H](C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1)c1cccc(F)c1 ZINC000139446254 601009794 /nfs/dbraw/zinc/00/97/94/601009794.db2.gz USKJHZZSJHMBJM-GUYCJALGSA-N -1 0 329.371 3.652 20 0 EHADRM C[C@@H](CNC(=O)Nc1cc(C(=O)[O-])ccc1F)Cc1cccs1 ZINC000827478873 601010226 /nfs/dbraw/zinc/01/02/26/601010226.db2.gz VWUCZVOOKLYAAU-SNVBAGLBSA-N -1 0 336.388 3.586 20 0 EHADRM CCO[C@H]1C[C@H](NC(=O)Nc2cccc(C(=O)[O-])c2C)C12CCCC2 ZINC000829926818 601015519 /nfs/dbraw/zinc/01/55/19/601015519.db2.gz ZXBHGTBSVPKIMF-HOTGVXAUSA-N -1 0 346.427 3.553 20 0 EHADRM CCCCC1CCC(C(=O)N(CC(=O)[O-])c2cccc(C)n2)CC1 ZINC000736984115 601015525 /nfs/dbraw/zinc/01/55/25/601015525.db2.gz GTUCRWZPMISMEG-UHFFFAOYSA-N -1 0 332.444 3.804 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)cc1 ZINC000833291121 601021493 /nfs/dbraw/zinc/02/14/93/601021493.db2.gz YKRVLECEPSQPHB-XJKSGUPXSA-N -1 0 325.368 3.529 20 0 EHADRM C[C@]1(c2ccccc2)C[C@H]1NC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000828122338 601022811 /nfs/dbraw/zinc/02/28/11/601022811.db2.gz OTZZUGDUEXFKMN-CRAIPNDOSA-N -1 0 325.368 3.628 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC000736622359 601024994 /nfs/dbraw/zinc/02/49/94/601024994.db2.gz NBMJXFASFDZFFY-ZDUSSCGKSA-N -1 0 347.361 3.651 20 0 EHADRM C[C@@H](C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21)c1cccc(F)c1 ZINC000736200906 601025151 /nfs/dbraw/zinc/02/51/51/601025151.db2.gz SHDJWJVEHHUMOI-OCCSQVGLSA-N -1 0 327.355 3.534 20 0 EHADRM CCSCC[C@@H](C)N(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000830164421 601026413 /nfs/dbraw/zinc/02/64/13/601026413.db2.gz WFRINDGLNMTJPL-SNVBAGLBSA-N -1 0 328.409 3.519 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)N2CCC(C(F)(F)F)CC2)cc1 ZINC000830514989 601030672 /nfs/dbraw/zinc/03/06/72/601030672.db2.gz ZQDXURUVMQWVGL-UHFFFAOYSA-N -1 0 345.321 3.607 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)CCS1 ZINC000826741703 601037174 /nfs/dbraw/zinc/03/71/74/601037174.db2.gz LZNNIEJNFUSHTR-ZDUSSCGKSA-N -1 0 341.408 3.521 20 0 EHADRM O=C([O-])c1cnc(N(C(=O)CCSc2ccccc2)C2CC2)s1 ZINC000740252922 601039741 /nfs/dbraw/zinc/03/97/41/601039741.db2.gz GSCQBLFFTTYGTO-UHFFFAOYSA-N -1 0 348.449 3.519 20 0 EHADRM C[C@@H](CC(=O)N(c1ncc(C(=O)[O-])s1)C1CC1)c1ccc(F)cc1 ZINC000736544377 601040194 /nfs/dbraw/zinc/04/01/94/601040194.db2.gz DZZHQNOASYSAOL-JTQLQIEISA-N -1 0 348.399 3.670 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)N(c1ncc(C(=O)[O-])s1)C1CC1 ZINC000738755683 601040896 /nfs/dbraw/zinc/04/08/96/601040896.db2.gz CAPKBYBKVZTMSG-LBPRGKRZSA-N -1 0 344.436 3.839 20 0 EHADRM CC[C@](C)(NC(=O)Nc1ccc(C(=O)[O-])c(C)c1)c1nc(C)cs1 ZINC000828686208 601041462 /nfs/dbraw/zinc/04/14/62/601041462.db2.gz WQSIISPEZNQUAI-KRWDZBQOSA-N -1 0 347.440 3.905 20 0 EHADRM Cc1cc(C)cc(C[C@H](C)NC(=O)c2ccc(NC(=O)[O-])cc2)c1 ZINC000738223017 601043795 /nfs/dbraw/zinc/04/37/95/601043795.db2.gz UFHSAFIEBPRUSV-AWEZNQCLSA-N -1 0 326.396 3.754 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccccc1C(C)(C)C ZINC000738542260 601047035 /nfs/dbraw/zinc/04/70/35/601047035.db2.gz VOJQZURWDZPWBR-UHFFFAOYSA-N -1 0 347.436 3.792 20 0 EHADRM C[C@H]1Cc2ccccc2CN1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000828516838 601047663 /nfs/dbraw/zinc/04/76/63/601047663.db2.gz ULZFATKKAWELTB-AWEZNQCLSA-N -1 0 338.407 3.683 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)cc1Cl ZINC000833153933 601055697 /nfs/dbraw/zinc/05/56/97/601055697.db2.gz SCJXHAHAKUPABS-BLLLJJGKSA-N -1 0 344.798 3.791 20 0 EHADRM C[C@@H](C(=O)NC1(C(=O)[O-])CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000262580812 601055790 /nfs/dbraw/zinc/05/57/90/601055790.db2.gz QLWMAUPKTDFCME-SECBINFHSA-N -1 0 330.211 3.611 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(N(C)C)cc2)cc1C(=O)[O-] ZINC000832941292 601065184 /nfs/dbraw/zinc/06/51/84/601065184.db2.gz IWHPCRPLWCQUDF-ROUUACIJSA-N -1 0 338.407 3.501 20 0 EHADRM Cc1ccc(NC(=O)c2cnc3onc(C(C)C)c3c2)cc1C(=O)[O-] ZINC000191034142 601065288 /nfs/dbraw/zinc/06/52/88/601065288.db2.gz WDQZOWIPZAKTSK-UHFFFAOYSA-N -1 0 339.351 3.605 20 0 EHADRM Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000237712176 601065483 /nfs/dbraw/zinc/06/54/83/601065483.db2.gz BMBNRXRWLZVFMG-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM Cc1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000391341290 601065648 /nfs/dbraw/zinc/06/56/48/601065648.db2.gz GDVXVDTYXXYQCW-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM O=C([O-])c1cccc(-c2nc(COC(=O)c3ccsc3)cs2)c1 ZINC000833326371 601069558 /nfs/dbraw/zinc/06/95/58/601069558.db2.gz KXXYSMBEYMCABD-UHFFFAOYSA-N -1 0 345.401 3.927 20 0 EHADRM CCCc1cc(C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)sc1C ZINC000261648087 601071789 /nfs/dbraw/zinc/07/17/89/601071789.db2.gz DWISDKDFYPFIMB-OAHLLOKOSA-N -1 0 331.437 3.607 20 0 EHADRM Cc1ccc2[nH]c(C(=O)O[C@@H](C(=O)[O-])c3ccccc3F)cc2c1 ZINC000832959893 601071894 /nfs/dbraw/zinc/07/18/94/601071894.db2.gz ZVORPVXDSXCCSD-MRXNPFEDSA-N -1 0 327.311 3.598 20 0 EHADRM CC(C)c1ccc(OCC(=O)O[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000827129214 601075422 /nfs/dbraw/zinc/07/54/22/601075422.db2.gz JLMSZJBODIYIQL-GOSISDBHSA-N -1 0 346.354 3.697 20 0 EHADRM CCSc1ccccc1C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000830174294 601077580 /nfs/dbraw/zinc/07/75/80/601077580.db2.gz GSHBYLBSQXMQAA-HNNXBMFYSA-N -1 0 334.368 3.920 20 0 EHADRM O=C([O-])[C@@H](OC(=O)CCc1ccc(Cl)cc1)c1ccccc1F ZINC000833102150 601077862 /nfs/dbraw/zinc/07/78/62/601077862.db2.gz DVKSIAZPASNGKD-INIZCTEOSA-N -1 0 336.746 3.781 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1cc(Cl)sc1Cl)c1ccccc1 ZINC000224820955 601078296 /nfs/dbraw/zinc/07/82/96/601078296.db2.gz LDVYLAIDSSXJLL-JTQLQIEISA-N -1 0 344.219 3.653 20 0 EHADRM CCOc1ccc(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)cc1 ZINC000830064243 601078444 /nfs/dbraw/zinc/07/84/44/601078444.db2.gz QEZMPEYYJWWETK-UHFFFAOYSA-N -1 0 348.424 3.790 20 0 EHADRM CC(C)(C)c1ccc(C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000261616939 601080466 /nfs/dbraw/zinc/08/04/66/601080466.db2.gz FMNNYLQABVOYBU-QGZVFWFLSA-N -1 0 325.408 3.582 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000339350153 601082235 /nfs/dbraw/zinc/08/22/35/601082235.db2.gz YBFSGQALVKCAQM-RVBZMBCESA-N -1 0 332.227 3.712 20 0 EHADRM C[C@H](C(=O)N1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-])c1ccccc1F ZINC000825977209 601084268 /nfs/dbraw/zinc/08/42/68/601084268.db2.gz ARZAXNGHFDDMTR-DHSIGJKJSA-N -1 0 347.430 3.811 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1ccncc1 ZINC000828952142 601087820 /nfs/dbraw/zinc/08/78/20/601087820.db2.gz VVPXTFRNEUATHV-MRXNPFEDSA-N -1 0 341.411 3.717 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)CCCc1ccccc1 ZINC000833176196 601092405 /nfs/dbraw/zinc/09/24/05/601092405.db2.gz BQNVMISPMSFMSD-OALUTQOASA-N -1 0 343.467 3.891 20 0 EHADRM CCO[C@H]1C[C@@H](NC(=O)c2cccc(NC(=O)[O-])c2)C12CCCCC2 ZINC000737164388 601094605 /nfs/dbraw/zinc/09/46/05/601094605.db2.gz DGRCHALDJNRZPH-CVEARBPZSA-N -1 0 346.427 3.634 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NCCc2ccccc2F)cc1 ZINC000327190734 601096948 /nfs/dbraw/zinc/09/69/48/601096948.db2.gz YTMSULWPQCZMPQ-UHFFFAOYSA-N -1 0 344.386 3.552 20 0 EHADRM CSc1ccc(C)c(C(=O)O[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000832777657 601097275 /nfs/dbraw/zinc/09/72/75/601097275.db2.gz VZJPEGJUDQEIKG-OAHLLOKOSA-N -1 0 334.368 3.839 20 0 EHADRM Cc1cccc(OCCN(C)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC000832972126 601145679 /nfs/dbraw/zinc/14/56/79/601145679.db2.gz LCQKHTQAURAOPU-UHFFFAOYSA-N -1 0 342.395 3.544 20 0 EHADRM CC[C@@H](CNC(=O)c1ccccc1NC(=O)[O-])Oc1ccccc1F ZINC000828883270 601148269 /nfs/dbraw/zinc/14/82/69/601148269.db2.gz BOMRWMUNCZGVKT-LBPRGKRZSA-N -1 0 346.358 3.503 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2nc(-c3ccccc3F)cs2)C1 ZINC000833187746 601152540 /nfs/dbraw/zinc/15/25/40/601152540.db2.gz SXBOXKURHQCEPS-MNOVXSKESA-N -1 0 348.399 3.779 20 0 EHADRM Cc1ccc(CCCC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC000237698773 601157740 /nfs/dbraw/zinc/15/77/40/601157740.db2.gz QQSPJCONBWEZTM-UHFFFAOYSA-N -1 0 348.380 3.624 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)[C@@H](C)c1cccc(F)c1)c1ccccc1 ZINC000237747826 601163463 /nfs/dbraw/zinc/16/34/63/601163463.db2.gz LIGCUYLPHVDOAA-AHIWAGSCSA-N -1 0 329.371 3.507 20 0 EHADRM CSc1ccsc1C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832790768 601166932 /nfs/dbraw/zinc/16/69/32/601166932.db2.gz RVKKYFBTKUAVMP-GXFFZTMASA-N -1 0 335.450 3.662 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)C/C=C/c1ccc(F)cc1)c1ccccc1 ZINC000237602121 601167409 /nfs/dbraw/zinc/16/74/09/601167409.db2.gz XTCOBMFYIOLANJ-HXNHZWNVSA-N -1 0 341.382 3.807 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cc2occc2s1)c1ccccc1 ZINC000826039128 601171245 /nfs/dbraw/zinc/17/12/45/601171245.db2.gz NDLSVZDBKOBQST-ZUZCIYMTSA-N -1 0 329.377 3.686 20 0 EHADRM CC(C)CCc1nc(COC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cs1 ZINC000826861185 601176085 /nfs/dbraw/zinc/17/60/85/601176085.db2.gz QEZHDQRDSAAMJU-OLZOCXBDSA-N -1 0 339.457 3.666 20 0 EHADRM C[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)[C@H](C)c1ccccc1 ZINC000237578645 601184115 /nfs/dbraw/zinc/18/41/15/601184115.db2.gz NZSRLICCMSYVDR-LSDHHAIUSA-N -1 0 325.408 3.626 20 0 EHADRM Cc1ccccc1-c1cnc(COC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)o1 ZINC000832974758 601187345 /nfs/dbraw/zinc/18/73/45/601187345.db2.gz NSCZMJIEBYUQFK-ZIAGYGMSSA-N -1 0 343.379 3.584 20 0 EHADRM O=C([O-])c1cccc(C(=O)OCc2ncc(-c3cccc(F)c3)o2)c1 ZINC000833328851 601189076 /nfs/dbraw/zinc/18/90/76/601189076.db2.gz VCJRPUJYHZLXBY-UHFFFAOYSA-N -1 0 341.294 3.536 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N2CCSC3(CCCCC3)C2)c1 ZINC000833330287 601197493 /nfs/dbraw/zinc/19/74/93/601197493.db2.gz QZXDIDVJIPCODZ-UHFFFAOYSA-N -1 0 334.441 3.668 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NCc1ncc(-c2ccccc2)o1)c1ccccc1 ZINC000826053048 601204742 /nfs/dbraw/zinc/20/47/42/601204742.db2.gz ICDWWYIWHFQJKZ-IFXJQAMLSA-N -1 0 336.391 3.893 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N(CC(F)(F)F)C2CCCC2)cc1 ZINC000833313203 601225021 /nfs/dbraw/zinc/22/50/21/601225021.db2.gz PLNLXVBRESBIRG-UHFFFAOYSA-N -1 0 343.345 3.651 20 0 EHADRM CC(C)c1ccc(S(=O)(=O)Oc2ccccc2NC(=O)[O-])cc1 ZINC000827129188 601226154 /nfs/dbraw/zinc/22/61/54/601226154.db2.gz IGBIIAJFYSYNBT-UHFFFAOYSA-N -1 0 335.381 3.668 20 0 EHADRM COCCCOc1cccc(N[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000831705560 601229378 /nfs/dbraw/zinc/22/93/78/601229378.db2.gz RWEDUNIPSIMYBH-QGZVFWFLSA-N -1 0 349.814 3.993 20 0 EHADRM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CS[C@H](C)C(=O)[O-] ZINC000833016731 601230399 /nfs/dbraw/zinc/23/03/99/601230399.db2.gz DSDHOIAVIZTTPM-GFCCVEGCSA-N -1 0 338.860 3.908 20 0 EHADRM COc1ccc(Cl)cc1CNc1ccc(OCC(=O)[O-])cc1C ZINC000832367450 601248519 /nfs/dbraw/zinc/24/85/19/601248519.db2.gz FDOCWDDTSTYWHO-UHFFFAOYSA-N -1 0 335.787 3.733 20 0 EHADRM Cc1sc(NC(=O)c2occc2Br)c(C(=O)[O-])c1C ZINC000711304728 601249790 /nfs/dbraw/zinc/24/97/90/601249790.db2.gz DXNUTFNMBLQYHZ-UHFFFAOYSA-N -1 0 344.186 3.671 20 0 EHADRM C[C@@H](c1ccccc1)N(C)C(=O)CNc1cc(Cl)cc(C(=O)[O-])c1 ZINC000827939970 601250218 /nfs/dbraw/zinc/25/02/18/601250218.db2.gz BIEHCTHFLYDSFR-LBPRGKRZSA-N -1 0 346.814 3.670 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OC(=O)c1occc1Br ZINC000833298964 601255571 /nfs/dbraw/zinc/25/55/71/601255571.db2.gz JSFMTAANRQGHTH-UHFFFAOYSA-N -1 0 345.532 3.613 20 0 EHADRM O=C([O-])c1cc(C(=O)Nc2cccc(Oc3ccccc3)c2)ccn1 ZINC000238183825 601269992 /nfs/dbraw/zinc/26/99/92/601269992.db2.gz XEXMMJXLTMGWRU-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)C/C=C\c1ccc(F)cc1 ZINC000831913948 601273338 /nfs/dbraw/zinc/27/33/38/601273338.db2.gz XLWMYDBGYFUSPF-IHWYPQMZSA-N -1 0 330.311 3.541 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000829014454 601279635 /nfs/dbraw/zinc/27/96/35/601279635.db2.gz HUSMYTOXHVXEEL-HNNXBMFYSA-N -1 0 329.352 3.848 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C/C=C/c1cccc(F)c1)c1ccc(F)cc1 ZINC000362428257 601280553 /nfs/dbraw/zinc/28/05/53/601280553.db2.gz OFNOMGNVXDCZQG-WVMJFEGXSA-N -1 0 345.345 3.700 20 0 EHADRM CCC1(C(=O)Nc2ncc(Cc3cccc(C(=O)[O-])c3)s2)CC1 ZINC000829039309 601282138 /nfs/dbraw/zinc/28/21/38/601282138.db2.gz RQNCJMYZUNIUFY-UHFFFAOYSA-N -1 0 330.409 3.561 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC000776641577 601284255 /nfs/dbraw/zinc/28/42/55/601284255.db2.gz GIIBLLPQURISMT-BJRSVTDJSA-N -1 0 341.382 3.522 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)C/C=C\c2cccc(F)c2)c1 ZINC000832178735 601284618 /nfs/dbraw/zinc/28/46/18/601284618.db2.gz LEOIATHAQBDINU-HYXAFXHYSA-N -1 0 329.327 3.575 20 0 EHADRM C[C@@H]1C[C@@H]1[C@@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000237354101 601291058 /nfs/dbraw/zinc/29/10/58/601291058.db2.gz YSFKVORJRCCOOH-OOVXXXAESA-N -1 0 344.798 3.560 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)Nc1ccccc1Cl)c1ccc(F)cc1 ZINC000833198195 601299177 /nfs/dbraw/zinc/29/91/77/601299177.db2.gz CZRXWFBVOMZBQV-CQSZACIVSA-N -1 0 336.750 3.817 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cnc(-c2ccccc2)s1 ZINC000262061988 601307713 /nfs/dbraw/zinc/30/77/13/601307713.db2.gz HGCMCKLIZZSIIX-UHFFFAOYSA-N -1 0 332.425 3.573 20 0 EHADRM Cc1cc(C)c(NS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c(C)c1 ZINC000323979102 601317137 /nfs/dbraw/zinc/31/71/37/601317137.db2.gz YCSKWOYZIOOZLP-TWGQIWQCSA-N -1 0 345.420 3.510 20 0 EHADRM Cc1cccc([C@H](NC(=O)NCc2ccc(C(=O)[O-])o2)C(C)(C)C)c1 ZINC000832965515 601334498 /nfs/dbraw/zinc/33/44/98/601334498.db2.gz WECRXUXVUPMVJU-INIZCTEOSA-N -1 0 344.411 3.873 20 0 EHADRM O=C([O-])c1cc(NC(=O)C/C=C\c2ccc(F)cc2)c(F)cc1F ZINC000833095911 601350453 /nfs/dbraw/zinc/35/04/53/601350453.db2.gz DPLYPZYUXNBZCY-UPHRSURJSA-N -1 0 335.281 3.844 20 0 EHADRM C[C@@]1(CCc2ccccc2)CCN(C(=O)NCCCCCC(=O)[O-])C1 ZINC000414625589 601359535 /nfs/dbraw/zinc/35/95/35/601359535.db2.gz KMNBMDXIAMULKS-HXUWFJFHSA-N -1 0 346.471 3.686 20 0 EHADRM CCc1ccc([C@H](C)NC(=O)COc2ccccc2NC(=O)[O-])cc1 ZINC000830238056 601368912 /nfs/dbraw/zinc/36/89/12/601368912.db2.gz NYCKPQXWUYSZQI-ZDUSSCGKSA-N -1 0 342.395 3.595 20 0 EHADRM O=C([O-])c1sc(NCc2c(F)c(F)cc(F)c2F)nc1Cl ZINC000833346576 601383919 /nfs/dbraw/zinc/38/39/19/601383919.db2.gz OLDDQTTYMLUOKW-UHFFFAOYSA-N -1 0 340.685 3.663 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Oc2ccc(C(=O)[O-])cc2OC)cc1 ZINC000832221323 601389820 /nfs/dbraw/zinc/38/98/20/601389820.db2.gz ZLEXQBDXBFRWGW-GFCCVEGCSA-N -1 0 344.363 3.501 20 0 EHADRM CCOc1ccc(OCC)c(NCc2cc(C(=O)[O-])oc2CC)c1 ZINC000830088634 601390010 /nfs/dbraw/zinc/39/00/10/601390010.db2.gz DFYGUXGIOJHOAB-UHFFFAOYSA-N -1 0 333.384 3.950 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000237175038 601391580 /nfs/dbraw/zinc/39/15/80/601391580.db2.gz QRSOSWINWOIMBV-KBXCAEBGSA-N -1 0 341.407 3.521 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)CCc1cccc(Cl)c1)c1ccccc1 ZINC000237738789 601393662 /nfs/dbraw/zinc/39/36/62/601393662.db2.gz YJWRUHCSROJGEC-ACJLOTCBSA-N -1 0 345.826 3.851 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Nc2cccc(NC(=O)[O-])c2)cc1 ZINC000832220731 601396179 /nfs/dbraw/zinc/39/61/79/601396179.db2.gz DZNXMHDIUQDRKU-LBPRGKRZSA-N -1 0 328.368 3.917 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)N(CC(=O)[O-])c2cccc(F)c2)cc1 ZINC000828759577 601428046 /nfs/dbraw/zinc/42/80/46/601428046.db2.gz WHTKSWRAZQCCHA-CYBMUJFWSA-N -1 0 345.370 3.734 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1C[C@@H]2CCCC[C@H]2C1)C(=O)[O-] ZINC000262227138 601429591 /nfs/dbraw/zinc/42/95/91/601429591.db2.gz XUYPBEVQPJCWKP-IHRRRGAJSA-N -1 0 333.453 3.514 20 0 EHADRM O=C([O-])CC1(NC(=O)CC(c2ccccc2)c2ccccc2)CCC1 ZINC000262418522 601435042 /nfs/dbraw/zinc/43/50/42/601435042.db2.gz CGOCHPQDFQHSKZ-UHFFFAOYSA-N -1 0 337.419 3.722 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000830384344 601459336 /nfs/dbraw/zinc/45/93/36/601459336.db2.gz OREQVRUTGYHLJI-UONOGXRCSA-N -1 0 332.327 3.526 20 0 EHADRM C[C@@H](OC(=O)c1cn(C)nc1C1CCCCC1)c1ccc(C(=O)[O-])o1 ZINC000827868643 601463693 /nfs/dbraw/zinc/46/36/93/601463693.db2.gz YBDNSTZSWAZSLZ-LLVKDONJSA-N -1 0 346.383 3.677 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)Cc1c[nH]c2cc(C)ccc12 ZINC000830389215 601464311 /nfs/dbraw/zinc/46/43/11/601464311.db2.gz KYPNBPIGDPOIHW-UHFFFAOYSA-N -1 0 341.363 3.616 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@H](C)Sc1ccc(Cl)cc1 ZINC000237024262 601469287 /nfs/dbraw/zinc/46/92/87/601469287.db2.gz JBSNPKGHIZMEBK-BONVTDFDSA-N -1 0 329.849 3.580 20 0 EHADRM CCC(CC)N(C(=O)Nc1cc(C(=O)[O-])c(F)cc1F)C1CC1 ZINC000828859010 601477659 /nfs/dbraw/zinc/47/76/59/601477659.db2.gz MIVFPTKOAGEIJO-UHFFFAOYSA-N -1 0 326.343 3.848 20 0 EHADRM CCCCOc1ccccc1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000656601813 601485461 /nfs/dbraw/zinc/48/54/61/601485461.db2.gz MHTDJEWFVCUHNI-UHFFFAOYSA-N -1 0 348.443 3.974 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cc(-c2ccccc2)ccc1Cl)C1CC1 ZINC000776630321 601525559 /nfs/dbraw/zinc/52/55/59/601525559.db2.gz SXVCVVCTVVQMQI-QGZVFWFLSA-N -1 0 343.810 3.990 20 0 EHADRM Cn1cc(NC(=O)Nc2cc(Cl)ccc2Cl)cc1C(=O)[O-] ZINC000833049420 601526963 /nfs/dbraw/zinc/52/69/63/601526963.db2.gz NGWVIFNGTMUNHI-UHFFFAOYSA-N -1 0 328.155 3.674 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)/C=C/SCc2ccco2)ccc1F ZINC000833283614 601559120 /nfs/dbraw/zinc/55/91/20/601559120.db2.gz MGFVKWZJYILCTL-FNORWQNLSA-N -1 0 336.344 3.894 20 0 EHADRM Cc1cc(C)c2nc(C3CC3)cc(C(=O)NC(C)(C)CC(=O)[O-])c2c1 ZINC000761624554 601566235 /nfs/dbraw/zinc/56/62/35/601566235.db2.gz MIQSBNVAVBLWMD-UHFFFAOYSA-N -1 0 340.423 3.712 20 0 EHADRM O=C([O-])[C@@H](OC(=O)C1CC(F)(F)C1)c1ccc(Cl)cc1Cl ZINC000833349056 601567816 /nfs/dbraw/zinc/56/78/16/601567816.db2.gz AZMWVEVSLJFWME-JTQLQIEISA-N -1 0 339.121 3.708 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)/C=C\SCc2ccco2)cc1 ZINC000492389361 601571836 /nfs/dbraw/zinc/57/18/36/601571836.db2.gz YBUYEDUEKDUNNX-LUAWRHEFSA-N -1 0 331.393 3.682 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000343376964 601581839 /nfs/dbraw/zinc/58/18/39/601581839.db2.gz RQWPNVGCXSWKLX-OWCLPIDISA-N -1 0 347.773 3.525 20 0 EHADRM Cc1cccc([C@@H](C)C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000537364098 601587457 /nfs/dbraw/zinc/58/74/57/601587457.db2.gz QXCPTKAORIAILJ-MLGOLLRUSA-N -1 0 331.799 3.694 20 0 EHADRM CC(C)c1csc(NC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])n1 ZINC000827144877 601603640 /nfs/dbraw/zinc/60/36/40/601603640.db2.gz XHYGDYBCBOBQCC-BXUZGUMPSA-N -1 0 347.440 3.850 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NCc2noc(-c3cccs3)n2)cc1 ZINC000826127424 601606733 /nfs/dbraw/zinc/60/67/33/601606733.db2.gz TWMWHHGWBHIBIG-UHFFFAOYSA-N -1 0 343.408 3.772 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)CCCc1c[nH]c2ccccc12 ZINC000327467713 601612350 /nfs/dbraw/zinc/61/23/50/601612350.db2.gz IRACBBOSJZPRND-UHFFFAOYSA-N -1 0 336.391 3.756 20 0 EHADRM Cc1cc(C)cc(NC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000832878237 601614450 /nfs/dbraw/zinc/61/44/50/601614450.db2.gz AFGJFZCCTPBZAY-WMLDXEAASA-N -1 0 326.396 3.887 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1cc2cc(Cl)ccc2o1 ZINC000238095558 601614578 /nfs/dbraw/zinc/61/45/78/601614578.db2.gz SHSVERXHFWESKO-UHFFFAOYSA-N -1 0 329.739 3.966 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)C(F)(F)c1cccc(Cl)c1 ZINC000738630905 601615158 /nfs/dbraw/zinc/61/51/58/601615158.db2.gz WIURJZUNBVUWQE-UHFFFAOYSA-N -1 0 339.725 3.698 20 0 EHADRM Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000237590603 601616011 /nfs/dbraw/zinc/61/60/11/601616011.db2.gz CKPJOSMSOJKGNU-LBPRGKRZSA-N -1 0 347.798 3.682 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1ccccc1CC(=O)[O-] ZINC000262111045 601617552 /nfs/dbraw/zinc/61/75/52/601617552.db2.gz INDIOSNSPVBZSC-KYJSFNMBSA-N -1 0 347.455 3.730 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1sccc1SC(F)F ZINC000738629613 601617603 /nfs/dbraw/zinc/61/76/03/601617603.db2.gz IEILDBPEXXGAOQ-UHFFFAOYSA-N -1 0 343.376 3.942 20 0 EHADRM CCCCO[C@@H]1C[C@H](N(C)C(=O)c2cccc(NC(=O)[O-])c2)C1(C)C ZINC000829413730 601618447 /nfs/dbraw/zinc/61/84/47/601618447.db2.gz WLIYGAYLCNEILX-JKSUJKDBSA-N -1 0 348.443 3.832 20 0 EHADRM C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)c1ccccc1F ZINC000345917526 601620030 /nfs/dbraw/zinc/62/00/30/601620030.db2.gz YEJZSNQNSPGWQL-ZBEGNZNMSA-N -1 0 349.789 3.915 20 0 EHADRM CCCCOc1ccc(NC(=O)N[C@H](CC(=O)[O-])C2CC2)c(C)c1 ZINC000829422205 601620962 /nfs/dbraw/zinc/62/09/62/601620962.db2.gz QVXPBAQKVKAAAI-MRXNPFEDSA-N -1 0 334.416 3.549 20 0 EHADRM CCc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)s1 ZINC000776667171 601620974 /nfs/dbraw/zinc/62/09/74/601620974.db2.gz HUCXOZVVQBMVOL-ZDUSSCGKSA-N -1 0 337.828 3.910 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)Nc1ccc2nc(C3CC3)sc2c1)C1CC1 ZINC000833198810 601622756 /nfs/dbraw/zinc/62/27/56/601622756.db2.gz LLOOHGXKMKJFCB-CYBMUJFWSA-N -1 0 345.424 3.549 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N2CCC[C@H]3CCC[C@H]32)cc1 ZINC000325262333 601627043 /nfs/dbraw/zinc/62/70/43/601627043.db2.gz JVZDHOWDTAQRJY-CZUORRHYSA-N -1 0 330.428 3.845 20 0 EHADRM O=C([O-])CN(C(=O)c1sc2cc(Cl)ccc2c1Cl)C1CC1 ZINC000037589125 601631918 /nfs/dbraw/zinc/63/19/18/601631918.db2.gz BEMFQTTWTORHOC-UHFFFAOYSA-N -1 0 344.219 3.897 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COc1ccccc1NC(=O)C1CC1 ZINC000833032005 601636470 /nfs/dbraw/zinc/63/64/70/601636470.db2.gz YJDGPQXGGYNWBW-UHFFFAOYSA-N -1 0 331.393 3.682 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000681681002 601640467 /nfs/dbraw/zinc/64/04/67/601640467.db2.gz DFMMCQNDKTXTIA-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM CCCCC[C@H](NC(=O)c1c(C)oc2ccc(OC)cc21)C(=O)[O-] ZINC000236666419 601647805 /nfs/dbraw/zinc/64/78/05/601647805.db2.gz JYWDHLNKRKLIHR-AWEZNQCLSA-N -1 0 333.384 3.513 20 0 EHADRM COc1c(F)ccc(F)c1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000683313804 601651764 /nfs/dbraw/zinc/65/17/64/601651764.db2.gz UXPBNRBTHQFFPE-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM CCc1ccsc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000262153074 601664485 /nfs/dbraw/zinc/66/44/85/601664485.db2.gz MBOZGMQFPDWKNL-ZDUSSCGKSA-N -1 0 337.828 3.910 20 0 EHADRM CC(C)(CNC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1)C(=O)[O-] ZINC000826575910 601670663 /nfs/dbraw/zinc/67/06/63/601670663.db2.gz DCLGVLXXJOCJIE-CQSZACIVSA-N -1 0 338.835 3.591 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)c1cc(F)cc(Cl)c1)c1ccccc1 ZINC000833222436 601670795 /nfs/dbraw/zinc/67/07/95/601670795.db2.gz PZCNJEUKHKFTJT-HNNXBMFYSA-N -1 0 335.762 3.815 20 0 EHADRM COC(=O)c1ccc(COc2ccc(C(=O)[O-])cc2Cl)cc1F ZINC000831384916 601672005 /nfs/dbraw/zinc/67/20/05/601672005.db2.gz GMMMEOYCNKXHJJ-UHFFFAOYSA-N -1 0 338.718 3.543 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000833311613 601674170 /nfs/dbraw/zinc/67/41/70/601674170.db2.gz WIDGGYZZIJLNHH-IUCAKERBSA-N -1 0 335.347 3.545 20 0 EHADRM CCC(C)(CC)NC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000828677704 601688333 /nfs/dbraw/zinc/68/83/33/601688333.db2.gz NNLAMLPGODBQSM-UHFFFAOYSA-N -1 0 333.432 3.685 20 0 EHADRM C[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccc(F)cc1F ZINC000832814052 601692615 /nfs/dbraw/zinc/69/26/15/601692615.db2.gz SGKYXJFKLNWILM-MRVPVSSYSA-N -1 0 338.285 3.685 20 0 EHADRM CC(C)(CNC(=O)[C@@H](Sc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000236668776 601703988 /nfs/dbraw/zinc/70/39/88/601703988.db2.gz JSURCUMTCPSLCP-INIZCTEOSA-N -1 0 343.448 3.747 20 0 EHADRM Cc1nc2ccccc2cc1C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000833005792 601713697 /nfs/dbraw/zinc/71/36/97/601713697.db2.gz GAEWHZQMCSUVIR-UHFFFAOYSA-N -1 0 339.322 3.738 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(-c3ccccc3)ccc2Cl)C[C@@H]1C(=O)[O-] ZINC000828388196 601713738 /nfs/dbraw/zinc/71/37/38/601713738.db2.gz WYSDMKBQUYTYSU-WBMJQRKESA-N -1 0 343.810 3.800 20 0 EHADRM C[C@@H]1[C@@H](C)CCN1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000828276529 601718458 /nfs/dbraw/zinc/71/84/58/601718458.db2.gz CMANKDYRDWXBJA-QWHCGFSZSA-N -1 0 336.457 3.657 20 0 EHADRM Cc1ccc(OCCC(=O)OCc2ccc(C(=O)[O-])c(F)c2)c(C)c1 ZINC000832951147 601721076 /nfs/dbraw/zinc/72/10/76/601721076.db2.gz KIGNEIRFZBRBIX-UHFFFAOYSA-N -1 0 346.354 3.653 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000832590125 601726799 /nfs/dbraw/zinc/72/67/99/601726799.db2.gz ZNHQMNNBLDOKRN-FMIVXFBMSA-N -1 0 344.338 3.679 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1csc(-c2ccoc2)n1 ZINC000833031933 601729064 /nfs/dbraw/zinc/72/90/64/601729064.db2.gz WRYCVSFXHXNOEF-UHFFFAOYSA-N -1 0 349.389 3.828 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1ccccc1F ZINC000678986030 601742057 /nfs/dbraw/zinc/74/20/57/601742057.db2.gz JJWPVRVJILJSDU-HNNXBMFYSA-N -1 0 346.745 3.516 20 0 EHADRM O=C([O-])CCCc1csc(NC(=O)CCCc2ccccc2)n1 ZINC000391082798 601742884 /nfs/dbraw/zinc/74/28/84/601742884.db2.gz UUVJUNAGWYYEMQ-UHFFFAOYSA-N -1 0 332.425 3.512 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CCCc1ccc(Cl)cc1)c1ccccc1F ZINC000678989401 601744703 /nfs/dbraw/zinc/74/47/03/601744703.db2.gz PMSZWFAJWBQKJM-KRWDZBQOSA-N -1 0 349.789 3.744 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc(COC(C)(C)C)cc1 ZINC000826800708 601748410 /nfs/dbraw/zinc/74/84/10/601748410.db2.gz RBWHJXLODFHCRT-OAHLLOKOSA-N -1 0 336.432 3.623 20 0 EHADRM C/C(=C\C(=O)Nc1nc(CCCC(=O)[O-])cs1)c1cccc(F)c1 ZINC000825724482 601748545 /nfs/dbraw/zinc/74/85/45/601748545.db2.gz QUPLARYMERUGGG-DHZHZOJOSA-N -1 0 348.399 3.732 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000830250163 601773020 /nfs/dbraw/zinc/77/30/20/601773020.db2.gz UUIHEOSGFXODKW-ZWNOBZJWSA-N -1 0 338.835 3.649 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CC[C@@](C)(c2ccccc2)C1 ZINC000832914890 601773235 /nfs/dbraw/zinc/77/32/35/601773235.db2.gz BZXNVMFLZFMEJH-HXUWFJFHSA-N -1 0 338.407 3.889 20 0 EHADRM C[C@@]1(c2ccccc2)CCN(C(=O)Nc2cccc(NC(=O)[O-])c2)C1 ZINC000828127617 601781173 /nfs/dbraw/zinc/78/11/73/601781173.db2.gz GNVALBUPCOPESW-LJQANCHMSA-N -1 0 339.395 3.972 20 0 EHADRM CN(C)C(=O)Sc1ccc(CNc2ccc(C(=O)[O-])cc2)cc1 ZINC000830563013 601786520 /nfs/dbraw/zinc/78/65/20/601786520.db2.gz BFQDTGFWNTZQIR-UHFFFAOYSA-N -1 0 330.409 3.771 20 0 EHADRM COc1cccc([C@@H](C)Cc2nc(-c3ccc(C(=O)[O-])cc3)no2)c1 ZINC000832533276 601799480 /nfs/dbraw/zinc/79/94/80/601799480.db2.gz KCVAPQALBJOTQX-LBPRGKRZSA-N -1 0 338.363 3.790 20 0 EHADRM C[C@@H](C(=O)N1CCCC[C@H]1CC(=O)[O-])c1ccc2ccccc2c1 ZINC000653320946 601801693 /nfs/dbraw/zinc/80/16/93/601801693.db2.gz ZKDFYRKJOUTNTN-KDOFPFPSSA-N -1 0 325.408 3.799 20 0 EHADRM COc1cccc([C@H](C)CC(=O)Nc2cccc(F)c2C(=O)[O-])c1 ZINC000832529261 601803305 /nfs/dbraw/zinc/80/33/05/601803305.db2.gz XJMLTHZIOMUFDL-LLVKDONJSA-N -1 0 331.343 3.665 20 0 EHADRM C[C@@H](C(=O)NCC1(C(=O)[O-])CCCC1)c1ccc2ccccc2c1 ZINC000826005296 601804835 /nfs/dbraw/zinc/80/48/35/601804835.db2.gz WTRDWOUAAPAFIR-CQSZACIVSA-N -1 0 325.408 3.705 20 0 EHADRM O=C([O-])c1c(C2CC2)csc1NC(=O)[C@H]1COc2ccccc2C1 ZINC000738668687 601808753 /nfs/dbraw/zinc/80/87/53/601808753.db2.gz DZKMLZHUNJGRHG-GFCCVEGCSA-N -1 0 343.404 3.514 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@H](C)c1ccc2ccccc2c1)C(=O)[O-] ZINC000424234834 601811777 /nfs/dbraw/zinc/81/17/77/601811777.db2.gz BFOCABMCRAOVOA-RDTXWAMCSA-N -1 0 327.424 3.806 20 0 EHADRM CC(=O)Nc1cccc(CSCc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000825913336 601812825 /nfs/dbraw/zinc/81/28/25/601812825.db2.gz OSWBDKWVHKEZGW-UHFFFAOYSA-N -1 0 333.384 3.916 20 0 EHADRM CC(C)=C(C)C(=O)Nc1c(C)c(Br)ccc1C(=O)[O-] ZINC000826642183 601815938 /nfs/dbraw/zinc/81/59/38/601815938.db2.gz RJCGTIBVVRIJOB-UHFFFAOYSA-N -1 0 326.190 3.751 20 0 EHADRM Cc1ccc(C(C)C)c(OCC(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC000537481587 601819415 /nfs/dbraw/zinc/81/94/15/601819415.db2.gz LNLBJWDXNWVQBO-UHFFFAOYSA-N -1 0 347.455 3.601 20 0 EHADRM CC(C)(C(=O)N1CCC(CCC(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000538584524 601819757 /nfs/dbraw/zinc/81/97/57/601819757.db2.gz GJEDEQXANNERMN-UHFFFAOYSA-N -1 0 337.847 3.721 20 0 EHADRM Cc1cc2occ(CC(=O)N3CCC(CCC(=O)[O-])CC3)c2cc1C ZINC000537480704 601819864 /nfs/dbraw/zinc/81/98/64/601819864.db2.gz DRRBRYVCILNKMO-UHFFFAOYSA-N -1 0 343.423 3.696 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N(c2ccc(F)cc2)C2CCCC2)C1 ZINC000833186811 601821193 /nfs/dbraw/zinc/82/11/93/601821193.db2.gz VUYVGNZPNSUJPN-KBPBESRZSA-N -1 0 333.403 3.992 20 0 EHADRM O=C([O-])c1cccc(CNC(=S)Nc2ccc(F)c(Cl)c2)c1 ZINC000833329023 601846239 /nfs/dbraw/zinc/84/62/39/601846239.db2.gz PTIFTLAATPPULE-UHFFFAOYSA-N -1 0 338.791 3.664 20 0 EHADRM O=C([O-])c1ccc(CSCc2nc(-c3cccs3)no2)s1 ZINC000833316725 601846643 /nfs/dbraw/zinc/84/66/43/601846643.db2.gz JFYCEBXNOJASCG-UHFFFAOYSA-N -1 0 338.435 3.991 20 0 EHADRM CCc1ccc(NC(=O)CSCc2ccc(C(=O)[O-])s2)cc1 ZINC000830253510 601846963 /nfs/dbraw/zinc/84/69/63/601846963.db2.gz CIZYESBGVVEERL-UHFFFAOYSA-N -1 0 335.450 3.881 20 0 EHADRM Cc1ccccc1CN(C)C(=O)CSCc1ccc(C(=O)[O-])s1 ZINC000832980238 601847139 /nfs/dbraw/zinc/84/71/39/601847139.db2.gz ZTCWVPQPTHIVBL-UHFFFAOYSA-N -1 0 349.477 3.647 20 0 EHADRM CC(C)(CCNC(=O)NCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000826546962 601859094 /nfs/dbraw/zinc/85/90/94/601859094.db2.gz FVIYZGIEYDVEBB-UHFFFAOYSA-N -1 0 340.423 3.552 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)NCc2cc3ccccc3s2)c1 ZINC000833146055 601861553 /nfs/dbraw/zinc/86/15/53/601861553.db2.gz NLFBWGKLGGPWNB-UHFFFAOYSA-N -1 0 340.404 3.599 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)C2(Cc3ccccc3)CCC2)cc1 ZINC000833280384 601866630 /nfs/dbraw/zinc/86/66/30/601866630.db2.gz FQLTUUMXZQVKPE-UHFFFAOYSA-N -1 0 338.407 3.806 20 0 EHADRM CC[C@H](NC(=O)[O-])C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000739523241 601871601 /nfs/dbraw/zinc/87/16/01/601871601.db2.gz JPALJUNLWJOOHO-STQMWFEESA-N -1 0 345.226 3.703 20 0 EHADRM CCCOc1cc(C)ccc1NC(=O)C1CCC(NC(=O)[O-])CC1 ZINC000739360878 601873911 /nfs/dbraw/zinc/87/39/11/601873911.db2.gz MSPRKVFZWBTYJZ-UHFFFAOYSA-N -1 0 334.416 3.549 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)c2cccc(F)c2Cl)cc1 ZINC000833264092 601874251 /nfs/dbraw/zinc/87/42/51/601874251.db2.gz FCRQMPWMZQATHZ-UHFFFAOYSA-N -1 0 340.759 3.875 20 0 EHADRM CN(c1nc(COc2ccc(Cl)cc2C(=O)[O-])cs1)C1CC1 ZINC000830894503 601900940 /nfs/dbraw/zinc/90/09/40/601900940.db2.gz KZORLAHIZCCMIF-UHFFFAOYSA-N -1 0 338.816 3.672 20 0 EHADRM COc1ccc([C@H](C)CC(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])cc1 ZINC000262035023 601901800 /nfs/dbraw/zinc/90/18/00/601901800.db2.gz BSLZHJHXAHPGLV-ZTFGCOKTSA-N -1 0 347.455 3.729 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)c1cccc(F)c1Cl ZINC000262142740 601902990 /nfs/dbraw/zinc/90/29/90/601902990.db2.gz SFIKTZKLQDSEQR-GWCFXTLKSA-N -1 0 327.783 3.633 20 0 EHADRM O=C([O-])N[C@@H](C(=O)NCc1cc2ccccc2s1)c1ccccc1 ZINC000740686785 601910214 /nfs/dbraw/zinc/91/02/14/601910214.db2.gz HGCFXJFDYAENSA-MRXNPFEDSA-N -1 0 340.404 3.526 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1cc(F)ccc1OC(F)F ZINC000830378897 601910538 /nfs/dbraw/zinc/91/05/38/601910538.db2.gz ATJDQBHCAGNBLR-UHFFFAOYSA-N -1 0 329.274 3.893 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)c1 ZINC000537369939 601924059 /nfs/dbraw/zinc/92/40/59/601924059.db2.gz UMKWEDXFWBXBCE-VQTJNVASSA-N -1 0 345.398 3.958 20 0 EHADRM O=C([O-])[C@H](OC(=O)/C=C/c1ccco1)c1cc(Cl)cc(Cl)c1 ZINC000833094453 601933094 /nfs/dbraw/zinc/93/30/94/601933094.db2.gz HYSFFIOGMMKDOV-RDFMZFSFSA-N -1 0 341.146 3.969 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N[C@@H]2COc3c2cccc3Cl)cc1 ZINC000833289781 601941173 /nfs/dbraw/zinc/94/11/73/601941173.db2.gz KOOMEHQYWUOZSV-CYBMUJFWSA-N -1 0 347.758 3.685 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000740042161 601994596 /nfs/dbraw/zinc/99/45/96/601994596.db2.gz PGTIFXGYQOBLSQ-UHFFFAOYSA-N -1 0 329.287 3.618 20 0 EHADRM C[C@H](COC(=O)c1cccc(NC(=O)[O-])c1)COc1ccccc1 ZINC000827517653 601995271 /nfs/dbraw/zinc/99/52/71/601995271.db2.gz SVZGWTDULWSHFP-ZDUSSCGKSA-N -1 0 329.352 3.648 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2ccc(-c3ccccc3F)o2)cn1 ZINC000740711817 601996312 /nfs/dbraw/zinc/99/63/12/601996312.db2.gz FIWPDVAOXKTKLQ-UHFFFAOYSA-N -1 0 341.298 3.823 20 0 EHADRM Cc1cc(OCC(=O)OCc2ccc(C(=O)[O-])s2)ccc1Cl ZINC000832900770 601996519 /nfs/dbraw/zinc/99/65/19/601996519.db2.gz LVPZOXFXKWNQAW-UHFFFAOYSA-N -1 0 340.784 3.530 20 0 EHADRM CC[C@@](NC(=O)c1cccc(Cl)c1F)(C(=O)[O-])c1ccccc1 ZINC000828976279 602003923 /nfs/dbraw/zinc/00/39/23/602003923.db2.gz ANMPHKJIONJNRP-KRWDZBQOSA-N -1 0 335.762 3.599 20 0 EHADRM COc1cccc2cc(C(=O)OCc3ccc(C(=O)[O-])s3)oc21 ZINC000832577728 602003969 /nfs/dbraw/zinc/00/39/69/602003969.db2.gz OMBXCQMKVNDCOV-UHFFFAOYSA-N -1 0 332.333 3.558 20 0 EHADRM CN(C(=O)[O-])[C@H]1CCCN(C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000739583058 602007474 /nfs/dbraw/zinc/00/74/74/602007474.db2.gz GREANZWATFVURS-JTQLQIEISA-N -1 0 346.214 3.600 20 0 EHADRM CCN(CC)[C@@H](C(=O)OCc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000829666627 602008073 /nfs/dbraw/zinc/00/80/73/602008073.db2.gz NQXCQOLAYVBJBX-MRXNPFEDSA-N -1 0 347.436 3.573 20 0 EHADRM C[C@@H]1C[C@H](C)N(C(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000828168366 602017475 /nfs/dbraw/zinc/01/74/75/602017475.db2.gz OLLDQARRYCKXHE-BDAKNGLRSA-N -1 0 330.306 3.666 20 0 EHADRM Cc1cc(F)cc2[nH]c(C(=O)NCCCCCCCC(=O)[O-])cc21 ZINC000237622705 602021026 /nfs/dbraw/zinc/02/10/26/602021026.db2.gz OVNUUCANXCZNFN-UHFFFAOYSA-N -1 0 334.391 3.770 20 0 EHADRM Cc1ccc2cccc(C(=O)NCCCCCCCC(=O)[O-])c2n1 ZINC000191181250 602021397 /nfs/dbraw/zinc/02/13/97/602021397.db2.gz BLXBHFLJXPRAJC-UHFFFAOYSA-N -1 0 328.412 3.698 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)c1ccc(Br)s1 ZINC000262120047 602022337 /nfs/dbraw/zinc/02/23/37/602022337.db2.gz GGWFPGKKTLWWNT-UHFFFAOYSA-N -1 0 348.262 3.666 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)c1nc(Cl)ccc1Cl ZINC000403234733 602023001 /nfs/dbraw/zinc/02/30/01/602023001.db2.gz XZTKNJAXBLKKIQ-UHFFFAOYSA-N -1 0 333.215 3.543 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@@H]1CCSc2ccccc21 ZINC000833224701 602023328 /nfs/dbraw/zinc/02/33/28/602023328.db2.gz RRAFOSBISZOPFC-OAHLLOKOSA-N -1 0 335.469 3.807 20 0 EHADRM Cn1ccc2c1cccc2C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000740295040 602025935 /nfs/dbraw/zinc/02/59/35/602025935.db2.gz VFVIRBPWCWKVSE-UHFFFAOYSA-N -1 0 327.315 3.660 20 0 EHADRM Cc1cc(N(C)C)ccc1NC(=O)N[C@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000832888061 602030414 /nfs/dbraw/zinc/03/04/14/602030414.db2.gz CSWQGGIIBOUYNU-WBVHZDCISA-N -1 0 347.459 3.606 20 0 EHADRM CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)C1 ZINC000830150499 602039020 /nfs/dbraw/zinc/03/90/20/602039020.db2.gz PTKNETYLCGZMCT-ZIAGYGMSSA-N -1 0 336.457 3.831 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)c1cccc(Cl)c1F ZINC000833132176 602042605 /nfs/dbraw/zinc/04/26/05/602042605.db2.gz WKWRHLPQSDXMSA-MFKMUULPSA-N -1 0 327.783 3.633 20 0 EHADRM O=C([O-])NC[C@@H]1CCCCN1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000740624557 602047011 /nfs/dbraw/zinc/04/70/11/602047011.db2.gz RFMXERRKVHLMPC-HNNXBMFYSA-N -1 0 349.818 3.617 20 0 EHADRM O=C([O-])c1ccc(-c2csc(NC(=O)[C@H]3CC34CCC4)n2)cc1 ZINC000833308802 602052531 /nfs/dbraw/zinc/05/25/31/602052531.db2.gz ULLUPHTXQVOLBK-GFCCVEGCSA-N -1 0 328.393 3.637 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)c1cc(-c2cccs2)on1 ZINC000833132240 602055657 /nfs/dbraw/zinc/05/56/57/602055657.db2.gz YWNXVVDHERMLKH-VXGBXAGGSA-N -1 0 348.424 3.557 20 0 EHADRM O=C([O-])c1ccc(OCc2ccccc2)c(NC(=O)C2CCC2)c1 ZINC000833322274 602063419 /nfs/dbraw/zinc/06/34/19/602063419.db2.gz IPQNFOIBXOXQHB-UHFFFAOYSA-N -1 0 325.364 3.702 20 0 EHADRM Cc1oc(-c2ccccc2)nc1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000345779538 602067119 /nfs/dbraw/zinc/06/71/19/602067119.db2.gz OJKBAYLKGPVQCU-UHFFFAOYSA-N -1 0 336.347 3.529 20 0 EHADRM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000392662609 602068899 /nfs/dbraw/zinc/06/88/99/602068899.db2.gz UDALKYCWZAHTJO-GFCCVEGCSA-N -1 0 347.798 3.682 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)CCCc2c[nH]c3ccccc23)c1 ZINC000238122161 602069315 /nfs/dbraw/zinc/06/93/15/602069315.db2.gz SIDVWVLVIRUJKW-UHFFFAOYSA-N -1 0 336.391 3.756 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2cc3cc(Cl)ccc3o2)c1 ZINC000345903739 602070903 /nfs/dbraw/zinc/07/09/03/602070903.db2.gz ZKQIHLGKYLTNSN-UHFFFAOYSA-N -1 0 329.739 3.966 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000827303895 602077537 /nfs/dbraw/zinc/07/75/37/602077537.db2.gz KUDVUVOHMHRFAC-ZCFIWIBFSA-N -1 0 343.223 3.774 20 0 EHADRM Cc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)o1 ZINC000832918151 602080616 /nfs/dbraw/zinc/08/06/16/602080616.db2.gz GZHJJZDCOCDPDT-GFCCVEGCSA-N -1 0 329.135 3.878 20 0 EHADRM O=C([O-])[C@@H](OC(=O)C1CCSCC1)c1cc(Cl)cc(Cl)c1 ZINC000833348304 602086974 /nfs/dbraw/zinc/08/69/74/602086974.db2.gz SLWRNYFABKYGEK-LBPRGKRZSA-N -1 0 349.235 3.806 20 0 EHADRM Cc1cccc([C@@H](NC(=O)N2CC[C@@](C)(C(=O)[O-])C2)C(C)(C)C)c1 ZINC000263209964 602087184 /nfs/dbraw/zinc/08/71/84/602087184.db2.gz IQCKGIJSQQZUHS-DNVCBOLYSA-N -1 0 332.444 3.588 20 0 EHADRM O=C([O-])[C@@H](OC(=O)[C@H]1CC12CCC2)c1cc(Cl)cc(Cl)c1 ZINC000833168833 602089431 /nfs/dbraw/zinc/08/94/31/602089431.db2.gz FDAGZJPZBZXTFM-NEPJUHHUSA-N -1 0 329.179 3.853 20 0 EHADRM O=C([O-])[C@H](OC(=O)C[C@H]1CCCCO1)c1cc(Cl)cc(Cl)c1 ZINC000833094250 602089589 /nfs/dbraw/zinc/08/95/89/602089589.db2.gz SZAGFPYPUGUBPX-TZMCWYRMSA-N -1 0 347.194 3.622 20 0 EHADRM C[C@@H](Oc1ccc(/C=C2\C(=O)Nc3ccc(Cl)cc32)cc1)C(=O)[O-] ZINC000794686492 602094177 /nfs/dbraw/zinc/09/41/77/602094177.db2.gz BXQKFHZJZYMNDF-IIBSKXHVSA-N -1 0 343.766 3.685 20 0 EHADRM CC[C@H](C)C(=O)COC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000828700288 602098035 /nfs/dbraw/zinc/09/80/35/602098035.db2.gz JNLOCIICCASSDM-QMMMGPOBSA-N -1 0 347.289 3.567 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)Cc2cccc(Cl)c2)c1 ZINC000739917840 602098314 /nfs/dbraw/zinc/09/83/14/602098314.db2.gz NRDCYHLTIZXZII-UHFFFAOYSA-N -1 0 334.759 3.620 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000321615968 602098906 /nfs/dbraw/zinc/09/89/06/602098906.db2.gz XKFUVFSUIUJISH-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1cccc(Cl)c1F ZINC000833033684 602100484 /nfs/dbraw/zinc/10/04/84/602100484.db2.gz ZBQATFHATDLTFL-UHFFFAOYSA-N -1 0 328.748 3.904 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000827272309 602103878 /nfs/dbraw/zinc/10/38/78/602103878.db2.gz NQAKHPMXASZKCN-DIFFPNOSSA-N -1 0 349.789 3.796 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N[C@@H](CCc1ccccc1)c1ccccc1 ZINC000827272532 602105500 /nfs/dbraw/zinc/10/55/00/602105500.db2.gz OHOJMOJXJKGLDR-QAPCUYQASA-N -1 0 325.408 3.588 20 0 EHADRM Cc1ccc(NC(=O)NCc2nc(C(C)C)cs2)cc1C(=O)[O-] ZINC000832948455 602108085 /nfs/dbraw/zinc/10/80/85/602108085.db2.gz OIUXOUIVUYTJJP-UHFFFAOYSA-N -1 0 333.413 3.595 20 0 EHADRM CC(C)N(C)C(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC000826930006 602111992 /nfs/dbraw/zinc/11/19/92/602111992.db2.gz BAIDGSWBOUQATR-UHFFFAOYSA-N -1 0 342.395 3.836 20 0 EHADRM CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000739305346 602112436 /nfs/dbraw/zinc/11/24/36/602112436.db2.gz WHKGIHZLFNNFCI-MRXNPFEDSA-N -1 0 333.413 3.575 20 0 EHADRM Cc1ccccc1-c1nc(COc2cc(Cl)ccc2C(=O)[O-])no1 ZINC000832975359 602126098 /nfs/dbraw/zinc/12/60/98/602126098.db2.gz VONOCNLCUINKFF-UHFFFAOYSA-N -1 0 344.754 3.976 20 0 EHADRM CCN(C(=O)[C@@H](C)CC(=O)[O-])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000829590709 602131277 /nfs/dbraw/zinc/13/12/77/602131277.db2.gz BXHNCLWEXQDFMX-WDEREUQCSA-N -1 0 331.334 3.726 20 0 EHADRM Cc1ccc(-c2cc(C(=O)Nc3ccccc3NC(=O)[O-])on2)cc1 ZINC000740095887 602174973 /nfs/dbraw/zinc/17/49/73/602174973.db2.gz REMCAPQZOVKXKO-UHFFFAOYSA-N -1 0 337.335 3.992 20 0 EHADRM COCc1c2ccccc2oc1C(=O)Nc1ccccc1NC(=O)[O-] ZINC000739842426 602177098 /nfs/dbraw/zinc/17/70/98/602177098.db2.gz ITUHNMYQJMLANS-UHFFFAOYSA-N -1 0 340.335 3.921 20 0 EHADRM COc1ccc(Cl)cc1CC(=O)Nc1ccccc1NC(=O)[O-] ZINC000739906587 602177361 /nfs/dbraw/zinc/17/73/61/602177361.db2.gz IUAXQVNACPVQFM-UHFFFAOYSA-N -1 0 334.759 3.620 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000832958562 602179496 /nfs/dbraw/zinc/17/94/96/602179496.db2.gz LESOSQQOOAMBSG-UHFFFAOYSA-N -1 0 326.327 3.874 20 0 EHADRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])cs2)cc(C)c1OC(F)F ZINC000569063192 602180287 /nfs/dbraw/zinc/18/02/87/602180287.db2.gz FIUUGDPZYRGCCF-UHFFFAOYSA-N -1 0 341.335 3.917 20 0 EHADRM Cc1cc2[nH]c(C(=O)Nc3cccc(CNC(=O)[O-])c3)cc2c(C)c1 ZINC000740064196 602201605 /nfs/dbraw/zinc/20/16/05/602201605.db2.gz PBDOOWWUEBPSPK-UHFFFAOYSA-N -1 0 337.379 3.805 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)/C=C\c2ccc3ccccc3n2)c1 ZINC000740673462 602201609 /nfs/dbraw/zinc/20/16/09/602201609.db2.gz DMRJSSKQDOPMIV-KHPPLWFESA-N -1 0 347.374 3.654 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N1CCc2c(Cl)cc(Cl)cc2[C@@H]1C ZINC000827263723 602203558 /nfs/dbraw/zinc/20/35/58/602203558.db2.gz SVYOURWNULHTEV-IUCAKERBSA-N -1 0 330.211 3.550 20 0 EHADRM CN(C(=O)c1ccc(CNC(=O)[O-])cc1)[C@@H]1CCCc2ccccc21 ZINC000739593982 602226657 /nfs/dbraw/zinc/22/66/57/602226657.db2.gz WKFMRUFPXFDRDK-GOSISDBHSA-N -1 0 338.407 3.604 20 0 EHADRM CCN(CC(C)C)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000829642605 602227870 /nfs/dbraw/zinc/22/78/70/602227870.db2.gz MZCCOAHERWTKLN-UHFFFAOYSA-N -1 0 344.411 3.813 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)Nc1ccc(F)cc1F)c1ccccc1 ZINC000826103996 602233975 /nfs/dbraw/zinc/23/39/75/602233975.db2.gz ZWSOKTKQQPNXIB-HNNXBMFYSA-N -1 0 348.349 3.938 20 0 EHADRM Cc1cccc(NC(=S)Nc2ccc3c(c2)CCN3C(=O)[O-])c1 ZINC000740173153 602235419 /nfs/dbraw/zinc/23/54/19/602235419.db2.gz ROYWTGSDIFPKBS-UHFFFAOYSA-N -1 0 327.409 3.844 20 0 EHADRM Cc1ccc(-c2cccc(CNC(=O)NCCCCC(=O)[O-])c2)cc1 ZINC000666536313 602236446 /nfs/dbraw/zinc/23/64/46/602236446.db2.gz RMHJVRFBDSZGOT-UHFFFAOYSA-N -1 0 340.423 3.716 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)Cc3cc4ccccc4o3)ccc21 ZINC000740390991 602238408 /nfs/dbraw/zinc/23/84/08/602238408.db2.gz UBAISVOPBKOGOP-UHFFFAOYSA-N -1 0 336.347 3.655 20 0 EHADRM CCn1c(SCc2cc(C(=O)[O-])co2)nnc1-c1ccc(F)cc1 ZINC000830416264 602239427 /nfs/dbraw/zinc/23/94/27/602239427.db2.gz NWZYUAWWXUNMCC-UHFFFAOYSA-N -1 0 347.371 3.688 20 0 EHADRM O=C([O-])N1CCN(C(=O)c2ccc(Cl)s2)c2ccccc2C1 ZINC000740527073 602246550 /nfs/dbraw/zinc/24/65/50/602246550.db2.gz YSORHBRQWYIORT-UHFFFAOYSA-N -1 0 336.800 3.542 20 0 EHADRM O=C([O-])NCCCC(=O)OC(c1ccccc1F)c1ccccc1F ZINC000833280097 602266723 /nfs/dbraw/zinc/26/67/23/602266723.db2.gz JOEGUBKJIWLCQS-UHFFFAOYSA-N -1 0 349.333 3.645 20 0 EHADRM CC(C)[C@H](CC(=O)N[C@H](C)[C@H]1CCCN(C(=O)[O-])C1)c1ccccc1 ZINC000738773225 602293580 /nfs/dbraw/zinc/29/35/80/602293580.db2.gz IUVNQHUJWKWVNW-NJAFHUGGSA-N -1 0 346.471 3.711 20 0 EHADRM CC[C@@](C)(NC(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)C(=O)[O-] ZINC000776619411 602295206 /nfs/dbraw/zinc/29/52/06/602295206.db2.gz YQXGPCMMJNHVKD-BMGYJQCNSA-N -1 0 349.736 3.655 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1ccccc1-n1ccc(C)n1 ZINC000830379266 602308081 /nfs/dbraw/zinc/30/80/81/602308081.db2.gz PEFGBJDELBODHJ-UHFFFAOYSA-N -1 0 325.368 3.646 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CCC(OC(C)(C)C)CC1 ZINC000832916763 602310699 /nfs/dbraw/zinc/31/06/99/602310699.db2.gz PFYWDXZXBQYLLC-UHFFFAOYSA-N -1 0 334.416 3.505 20 0 EHADRM Cc1cc(C(=O)NCCc2ccc(NC(=O)[O-])cc2)ccc1Cl ZINC000832864116 602313680 /nfs/dbraw/zinc/31/36/80/602313680.db2.gz KKLWHKSTFZMUFF-UHFFFAOYSA-N -1 0 332.787 3.711 20 0 EHADRM C[C@@H]1CC[C@H](CC(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)C1 ZINC000828221337 602314135 /nfs/dbraw/zinc/31/41/35/602314135.db2.gz NBAXBNYHSQGFTE-OLZOCXBDSA-N -1 0 339.382 3.594 20 0 EHADRM CC[C@@H](CC(=O)N(C)c1ncc(C(=O)[O-])s1)c1ccc(C)cc1 ZINC000828770274 602330367 /nfs/dbraw/zinc/33/03/67/602330367.db2.gz HVTPPPKKCSWRAK-LBPRGKRZSA-N -1 0 332.425 3.696 20 0 EHADRM Cc1ccc(-c2nc(CN(CC(=O)[O-])C3CCCC3)cs2)cc1 ZINC000320080340 602333389 /nfs/dbraw/zinc/33/33/89/602333389.db2.gz XOFPSMCMIPNPAD-UHFFFAOYSA-N -1 0 330.453 3.948 20 0 EHADRM Cc1nc2ccc(NC(=O)[C@@H](NC(=O)[O-])c3ccccc3)cc2s1 ZINC000740229620 602334961 /nfs/dbraw/zinc/33/49/61/602334961.db2.gz LOZMAAVHZYSCJC-HNNXBMFYSA-N -1 0 341.392 3.552 20 0 EHADRM CC[C@H](NC(=O)[O-])C(=O)Nc1ccccc1Oc1cccc(C)c1 ZINC000739530983 602336949 /nfs/dbraw/zinc/33/69/49/602336949.db2.gz OIZIHPYCZCVZAX-AWEZNQCLSA-N -1 0 328.368 3.772 20 0 EHADRM CC1(C)Cc2cc(NC(=O)c3cccc(NC(=O)[O-])c3)ccc2O1 ZINC000828077858 602345920 /nfs/dbraw/zinc/34/59/20/602345920.db2.gz BHMONJPKGSLTFK-UHFFFAOYSA-N -1 0 326.352 3.742 20 0 EHADRM COc1cccc([C@H](C)CC(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000776647021 602353709 /nfs/dbraw/zinc/35/37/09/602353709.db2.gz XPMWFVMEYJZJSV-LLVKDONJSA-N -1 0 331.343 3.665 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)Nc3ccc(C(=O)[O-])c(F)c3)c2c1 ZINC000776645922 602356570 /nfs/dbraw/zinc/35/65/70/602356570.db2.gz FBGAHUBNGQYNCR-UHFFFAOYSA-N -1 0 340.354 3.885 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000832852942 602358287 /nfs/dbraw/zinc/35/82/87/602358287.db2.gz CMXISENFZZWIAT-LLVKDONJSA-N -1 0 341.367 3.661 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(Br)cs2)cc1F ZINC000776646736 602358426 /nfs/dbraw/zinc/35/84/26/602358426.db2.gz MQVJMRSLLQVHTM-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1F ZINC000318211540 602359621 /nfs/dbraw/zinc/35/96/21/602359621.db2.gz SHABBSUYUPIEBT-UHFFFAOYSA-N -1 0 339.775 3.908 20 0 EHADRM Cn1cc(NC(=O)N2CCC[C@H](c3ccccc3)CC2)cc1C(=O)[O-] ZINC000833048941 602366763 /nfs/dbraw/zinc/36/67/63/602366763.db2.gz QPXJMLSCUWEXFJ-HNNXBMFYSA-N -1 0 341.411 3.525 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000827935196 602377007 /nfs/dbraw/zinc/37/70/07/602377007.db2.gz OIILBEBOEVTCHL-JTQLQIEISA-N -1 0 335.791 3.602 20 0 EHADRM CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000829722550 602379761 /nfs/dbraw/zinc/37/97/61/602379761.db2.gz NCLFMHJNFKWASU-UHFFFAOYSA-N -1 0 346.358 3.587 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCC[C@H]2c2ccsc2)cc1F ZINC000833319663 602382230 /nfs/dbraw/zinc/38/22/30/602382230.db2.gz MQUFPUQRWSJTTN-AWEZNQCLSA-N -1 0 334.372 3.954 20 0 EHADRM CCC[C@H](NC(=O)[O-])C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000739319761 602389230 /nfs/dbraw/zinc/38/92/30/602389230.db2.gz APBXBBOHHZPLKV-NSHDSACASA-N -1 0 333.388 3.500 20 0 EHADRM Cc1ccc(C)c([C@@H]2CCCN2C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000245752258 602392111 /nfs/dbraw/zinc/39/21/11/602392111.db2.gz UGTPVOQDGBCJAK-NUJGCVRESA-N -1 0 329.440 3.858 20 0 EHADRM CN(c1ccccc1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)C1CCCC1 ZINC000830888299 602393152 /nfs/dbraw/zinc/39/31/52/602393152.db2.gz JVWVBYFOZCXRGV-HUUCEWRRSA-N -1 0 344.455 3.895 20 0 EHADRM O=C([O-])CN(C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)C1CCCC1 ZINC000833241537 602400942 /nfs/dbraw/zinc/40/09/42/602400942.db2.gz GSRDENZYRSIQRX-RBUKOAKNSA-N -1 0 337.419 3.799 20 0 EHADRM CCC[C@H](NC(=O)[O-])c1nc(-c2cccc(Br)c2)no1 ZINC000739329282 602405928 /nfs/dbraw/zinc/40/59/28/602405928.db2.gz MONYUQRSYONJND-JTQLQIEISA-N -1 0 340.177 3.608 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(CCc2ccccc2Cl)n1 ZINC000738824815 602407756 /nfs/dbraw/zinc/40/77/56/602407756.db2.gz SJVRNJFUGQFNRR-ZDUSSCGKSA-N -1 0 337.807 3.863 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(CCSc2ccccc2)n1 ZINC000738822728 602409320 /nfs/dbraw/zinc/40/93/20/602409320.db2.gz KDJDDHLRZXJLHG-ZDUSSCGKSA-N -1 0 335.429 3.759 20 0 EHADRM COc1ccc2cc(-c3nc([C@@H](CC(C)C)NC(=O)[O-])no3)[nH]c2c1 ZINC000739936668 602411177 /nfs/dbraw/zinc/41/11/77/602411177.db2.gz JRKAQJAGQLVZSP-CYBMUJFWSA-N -1 0 344.371 3.581 20 0 EHADRM Cc1ccc(SCCc2nc(C3(NC(=O)[O-])CCCC3)no2)cc1 ZINC000740153919 602411500 /nfs/dbraw/zinc/41/15/00/602411500.db2.gz VBGBDXXEDPHWAF-UHFFFAOYSA-N -1 0 347.440 3.750 20 0 EHADRM C[C@H](SCc1ccccc1)c1nc(C2(NC(=O)[O-])CCC2)no1 ZINC000739054739 602416671 /nfs/dbraw/zinc/41/66/71/602416671.db2.gz KEPFWJRJDNTLEJ-NSHDSACASA-N -1 0 333.413 3.711 20 0 EHADRM CCCN(C(=S)Nc1ccc(C(C)C)cc1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739346337 602432351 /nfs/dbraw/zinc/43/23/51/602432351.db2.gz PVDQQUJMKKBFEG-INIZCTEOSA-N -1 0 349.500 3.971 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2cc(-c3ccccc3F)no2)c1 ZINC000740033260 602453083 /nfs/dbraw/zinc/45/30/83/602453083.db2.gz ITGXGOUDFVPJOA-UHFFFAOYSA-N -1 0 341.298 3.823 20 0 EHADRM CC(C)C[C@H]1CCCN1C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000738818987 602467311 /nfs/dbraw/zinc/46/73/11/602467311.db2.gz DJCGSQJEHRKKJD-IAGOWNOFSA-N -1 0 332.444 3.813 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)Cc1ccccc1C(F)(F)F ZINC000740714941 602474566 /nfs/dbraw/zinc/47/45/66/602474566.db2.gz DAYQKQCZNICQBO-UHFFFAOYSA-N -1 0 338.285 3.977 20 0 EHADRM C[C@H](CCc1ccccc1)NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000738910358 602481047 /nfs/dbraw/zinc/48/10/47/602481047.db2.gz WVJPHEQHAWQQKM-GFCCVEGCSA-N -1 0 330.359 3.667 20 0 EHADRM O=C([O-])Nc1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)ccc1F ZINC000740694821 602481218 /nfs/dbraw/zinc/48/12/18/602481218.db2.gz AOUGBELTYFDRGC-UHFFFAOYSA-N -1 0 332.375 3.614 20 0 EHADRM O=C([O-])NCCC(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000738657207 602481750 /nfs/dbraw/zinc/48/17/50/602481750.db2.gz ZJFIHZKEPIOEJY-UHFFFAOYSA-N -1 0 348.786 3.515 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2cccc(Cl)c2F)ccc1F ZINC000740699784 602482369 /nfs/dbraw/zinc/48/23/69/602482369.db2.gz WQGCLYYNDUQFPB-UHFFFAOYSA-N -1 0 326.686 3.960 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CCC(c3ccccc3)CC2)ccc1F ZINC000740692796 602483624 /nfs/dbraw/zinc/48/36/24/602483624.db2.gz HHVWFPRUSGVFNG-UHFFFAOYSA-N -1 0 342.370 3.935 20 0 EHADRM C[C@@H](NC(=O)CC[C@@H](NC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000738962405 602488313 /nfs/dbraw/zinc/48/83/13/602488313.db2.gz WFQUZVWSWKMREH-RHSMWYFYSA-N -1 0 326.396 3.653 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N3CCC(N(C)C(=O)[O-])CC3)[nH]c2c1 ZINC000737649332 602520272 /nfs/dbraw/zinc/52/02/72/602520272.db2.gz DMLOVCNTAKPTTL-UHFFFAOYSA-N -1 0 343.427 3.506 20 0 EHADRM CN(C(=O)[O-])C1CCN(Cc2ncc(-c3cccc(Cl)c3)o2)CC1 ZINC000737938445 602537501 /nfs/dbraw/zinc/53/75/01/602537501.db2.gz YPPQZWVRBOKING-UHFFFAOYSA-N -1 0 349.818 3.569 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CCC[C@@H]2c2ccc(O)cc2)ccc1F ZINC000740692554 602547043 /nfs/dbraw/zinc/54/70/43/602547043.db2.gz DWDBNFILAVATTG-MRXNPFEDSA-N -1 0 344.342 3.599 20 0 EHADRM COc1ccc([C@H](C)C(=O)Nc2ccccc2CN(C)C(=O)[O-])cc1 ZINC000739897512 602570585 /nfs/dbraw/zinc/57/05/85/602570585.db2.gz WVCWHPYRBGWCLZ-ZDUSSCGKSA-N -1 0 342.395 3.547 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NCCCc2c[nH]c3ccccc23)cc1 ZINC000738659743 602573194 /nfs/dbraw/zinc/57/31/94/602573194.db2.gz CWJVNSYHSZJVCV-UHFFFAOYSA-N -1 0 337.379 3.620 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@H]([C@@H]3CCCN3C(=O)[O-])C2)cc1C ZINC000740140484 602579890 /nfs/dbraw/zinc/57/98/90/602579890.db2.gz BXKXICVCSVWGNC-RDJZCZTQSA-N -1 0 345.443 3.690 20 0 EHADRM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)Nc2ccccc2C(C)(C)C)C1 ZINC000739582458 602580837 /nfs/dbraw/zinc/58/08/37/602580837.db2.gz INBGBZKXRQGVFH-CYBMUJFWSA-N -1 0 333.432 3.590 20 0 EHADRM CCc1cccc(NC(=O)N2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)c1 ZINC000739547138 602580892 /nfs/dbraw/zinc/58/08/92/602580892.db2.gz HPMUCOCMNKJPDJ-NVXWUHKLSA-N -1 0 345.443 3.635 20 0 EHADRM O=C([O-])NC1CCN(C(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000740588137 602581051 /nfs/dbraw/zinc/58/10/51/602581051.db2.gz DUTBNRAZTKLJIR-UHFFFAOYSA-N -1 0 339.395 3.618 20 0 EHADRM CC(C)CCc1ccc(NC(=O)N2CCC[C@@H](CNC(=O)[O-])C2)cc1 ZINC000738821734 602593368 /nfs/dbraw/zinc/59/33/68/602593368.db2.gz MFBXKABSYOBPCS-INIZCTEOSA-N -1 0 347.459 3.787 20 0 EHADRM C[C@@H]1C[C@H]1CNC(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000739079546 602598340 /nfs/dbraw/zinc/59/83/40/602598340.db2.gz CGWHKLPHVFMDKF-SFYZADRCSA-N -1 0 331.294 3.573 20 0 EHADRM CCC[C@H](NC(=O)Nc1ccc(NC(=O)[O-])cc1)c1ccccn1 ZINC000736974732 602598890 /nfs/dbraw/zinc/59/88/90/602598890.db2.gz SYUXHYHIIJFWAS-HNNXBMFYSA-N -1 0 328.372 3.834 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N[C@@H]2CCc3c2cccc3F)cc1 ZINC000740709756 602600396 /nfs/dbraw/zinc/60/03/96/602600396.db2.gz DYYWJHKIEZRXNZ-OAHLLOKOSA-N -1 0 329.331 3.725 20 0 EHADRM CCOc1ccc(CN(C)C(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000739500938 602601730 /nfs/dbraw/zinc/60/17/30/602601730.db2.gz CLKLTIPOMUDURJ-UHFFFAOYSA-N -1 0 343.383 3.839 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(NC(=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000738988868 602602723 /nfs/dbraw/zinc/60/27/23/602602723.db2.gz PFXPZDPQXVITRQ-VIFPVBQESA-N -1 0 335.310 3.937 20 0 EHADRM CN(C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-])C1CCCCC1 ZINC000739574146 602606806 /nfs/dbraw/zinc/60/68/06/602606806.db2.gz CTMZTCMSKRGHSA-UHFFFAOYSA-N -1 0 331.416 3.914 20 0 EHADRM CC(C)N(C(=O)CC[C@H](NC(=O)[O-])c1ccccc1)C1CCCC1 ZINC000738836225 602642563 /nfs/dbraw/zinc/64/25/63/602642563.db2.gz VYTRDOCBWLVTFP-KRWDZBQOSA-N -1 0 332.444 3.955 20 0 EHADRM Cc1occc1C(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000740273344 602643781 /nfs/dbraw/zinc/64/37/81/602643781.db2.gz ZQJCDIQRUFGLHI-UHFFFAOYSA-N -1 0 328.246 3.949 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2c(F)cccc2N2CCCC2)cc1 ZINC000738661196 602695923 /nfs/dbraw/zinc/69/59/23/602695923.db2.gz QGIPNIBJSGNHRX-UHFFFAOYSA-N -1 0 343.358 3.768 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739260205 602702562 /nfs/dbraw/zinc/70/25/62/602702562.db2.gz OHLKIEVEIYXOHR-OAHLLOKOSA-N -1 0 338.407 3.935 20 0 EHADRM O=C([O-])NC1(c2nc(-c3ccc4[nH]c(=O)oc4c3)cs2)CCCC1 ZINC000740547596 602744268 /nfs/dbraw/zinc/74/42/68/602744268.db2.gz GZLYOASTXQICCC-UHFFFAOYSA-N -1 0 345.380 3.694 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N[C@@H]2CCOc3ccc(F)cc32)cc1 ZINC000738665003 602752873 /nfs/dbraw/zinc/75/28/73/602752873.db2.gz JGOJQKUGDVGUNB-CQSZACIVSA-N -1 0 345.330 3.561 20 0 EHADRM C[C@H](CC(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1)NC(=O)[O-] ZINC000824564226 602761956 /nfs/dbraw/zinc/76/19/56/602761956.db2.gz GNXSXHFTXGKATG-KGLIPLIRSA-N -1 0 346.452 3.884 20 0 EHADRM C[C@@H](CC(=O)N1CC=C(c2cccc3ccccc32)CC1)NC(=O)[O-] ZINC000824565618 602764706 /nfs/dbraw/zinc/76/47/06/602764706.db2.gz OVRNBAXOYXSUTN-AWEZNQCLSA-N -1 0 338.407 3.502 20 0 EHADRM CC[C@H](NC(=O)[O-])C(=O)Nc1ccccc1O[C@H](C)c1ccccc1 ZINC000739530138 602767577 /nfs/dbraw/zinc/76/75/77/602767577.db2.gz JMMFTBCRAQVXSZ-HIFRSBDPSA-N -1 0 342.395 3.811 20 0 EHADRM C[C@@H](SCc1nc(C(C)(C)NC(=O)[O-])no1)c1cccs1 ZINC000739052919 602780723 /nfs/dbraw/zinc/78/07/23/602780723.db2.gz OAQWUQMAGYTESP-MRVPVSSYSA-N -1 0 327.431 3.628 20 0 EHADRM CC(C)(CCC(=O)Nc1ccc(Cl)c2ncccc12)NC(=O)[O-] ZINC000738744703 602787698 /nfs/dbraw/zinc/78/76/98/602787698.db2.gz PLXVYZDKTUFQIH-UHFFFAOYSA-N -1 0 335.791 3.653 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N2CCC[C@H](NC(=O)[O-])C2)cc1 ZINC000737652809 602794451 /nfs/dbraw/zinc/79/44/51/602794451.db2.gz VIINXTZNJAGQMC-PBHICJAKSA-N -1 0 332.444 3.562 20 0 EHADRM C[C@@H](CC(=O)Nc1cccc(Cl)c1SC(F)F)NC(=O)[O-] ZINC000824702440 602808743 /nfs/dbraw/zinc/80/87/43/602808743.db2.gz CVYJJBAVPALOHU-LURJTMIESA-N -1 0 338.763 3.639 20 0 EHADRM C[C@H](CC(=O)Nc1cccc(Cl)c1SC(F)F)NC(=O)[O-] ZINC000824702441 602808781 /nfs/dbraw/zinc/80/87/81/602808781.db2.gz CVYJJBAVPALOHU-ZCFIWIBFSA-N -1 0 338.763 3.639 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc3c(c2)CCCO3)cc1NC(=O)[O-] ZINC000830231008 602811119 /nfs/dbraw/zinc/81/11/19/602811119.db2.gz WLGKHLUQEGAXFB-UHFFFAOYSA-N -1 0 326.352 3.662 20 0 EHADRM CC[C@H](NC(=O)c1ccc(CNC(=O)[O-])cc1)c1ccc(F)cc1F ZINC000739273607 602814962 /nfs/dbraw/zinc/81/49/62/602814962.db2.gz UQNNGBHARPQFDX-INIZCTEOSA-N -1 0 348.349 3.614 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000824819534 602828768 /nfs/dbraw/zinc/82/87/68/602828768.db2.gz ZYOYDQUONLWQJI-LLVKDONJSA-N -1 0 331.347 3.518 20 0 EHADRM CSCc1ccc(NC(=O)[C@@H](CNC(=O)[O-])c2ccccc2)cc1 ZINC000829753689 602831876 /nfs/dbraw/zinc/83/18/76/602831876.db2.gz ICPHBUWIVSPLQX-INIZCTEOSA-N -1 0 344.436 3.540 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)NCC[C@H]2CCN(C(=O)[O-])C2)cc1 ZINC000738875410 602834971 /nfs/dbraw/zinc/83/49/71/602834971.db2.gz GNJKSNQYAJLJGU-CVEARBPZSA-N -1 0 346.471 3.810 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)C[C@@H]2CCCN2C(=O)[O-])cc1 ZINC000827508619 602851536 /nfs/dbraw/zinc/85/15/36/602851536.db2.gz PFJSCQVSRZBTFQ-JSGCOSHPSA-N -1 0 336.457 3.508 20 0 EHADRM CC[C@@H](OC(=O)c1ccc(NC(=O)[O-])cc1)C(=O)c1ccccc1 ZINC000736927983 602889477 /nfs/dbraw/zinc/88/94/77/602889477.db2.gz RAHWHAABLHCQQE-OAHLLOKOSA-N -1 0 327.336 3.595 20 0 EHADRM O=C([O-])N1[C@@H]2CC[C@H]1CC(OC(=O)CC/C=C/c1ccccc1)C2 ZINC000740353155 602926878 /nfs/dbraw/zinc/92/68/78/602926878.db2.gz GQVCLWRMQHOGOI-KOZKUUSGSA-N -1 0 329.396 3.697 20 0 EHADRM COc1ccc([C@H]2CCCCCN2C(=O)CC(C)(C)NC(=O)[O-])cc1 ZINC000739894354 602943219 /nfs/dbraw/zinc/94/32/19/602943219.db2.gz RVHSDZBOGHEKKQ-MRXNPFEDSA-N -1 0 348.443 3.575 20 0 EHADRM Cc1cc(F)cc2[nH]c(-c3nc(C4(NC(=O)[O-])CCCC4)no3)cc21 ZINC000740082838 602950108 /nfs/dbraw/zinc/95/01/08/602950108.db2.gz PTTDHXLSTZQFPS-UHFFFAOYSA-N -1 0 344.346 3.702 20 0 EHADRM Cc1ccc(N2CCCC2)c(C(=O)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000738279897 602950804 /nfs/dbraw/zinc/95/08/04/602950804.db2.gz WNIMHNRBHMYROJ-UHFFFAOYSA-N -1 0 339.395 3.937 20 0 EHADRM COC(=O)Nc1cccc(NC(=O)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000737643096 602951899 /nfs/dbraw/zinc/95/18/99/602951899.db2.gz KAURCIFPFPJOFM-UHFFFAOYSA-N -1 0 344.327 3.599 20 0 EHADRM C[C@@H](C(=O)NC(C)(C)c1cccs1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823676762 602955424 /nfs/dbraw/zinc/95/54/24/602955424.db2.gz GMBAMTSLSXURNC-IUODEOHRSA-N -1 0 346.452 3.744 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)c2nc(Cl)ccc2Cl)cc1 ZINC000738668062 602955719 /nfs/dbraw/zinc/95/57/19/602955719.db2.gz CUFHYBDANOOPPF-UHFFFAOYSA-N -1 0 327.123 3.698 20 0 EHADRM Cc1nc(-c2ccccc2)sc1COC(=O)CC(C)(C)NC(=O)[O-] ZINC000740210385 602989369 /nfs/dbraw/zinc/98/93/69/602989369.db2.gz UAZTXDCFCIEDFL-UHFFFAOYSA-N -1 0 348.424 3.598 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc([C@@H](C)Oc2cccc(F)c2)n1 ZINC000738817054 603000320 /nfs/dbraw/zinc/00/03/20/603000320.db2.gz OXYIIXWGWFZZQC-ZWNOBZJWSA-N -1 0 337.351 3.704 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc([C@@H](C)Oc2ccccc2F)n1 ZINC000738815468 603001332 /nfs/dbraw/zinc/00/13/32/603001332.db2.gz GQMWQGYEUIHXDV-ZYHUDNBSSA-N -1 0 337.351 3.704 20 0 EHADRM O=C([O-])NC1(c2noc(/C=C\c3ccc(Cl)s3)n2)CCC1 ZINC000740550587 603006595 /nfs/dbraw/zinc/00/65/95/603006595.db2.gz ZATJGMXWJIYXKP-HYXAFXHYSA-N -1 0 325.777 3.602 20 0 EHADRM CN(Cc1ccccc1NC(=O)c1cc2cc(F)ccc2o1)C(=O)[O-] ZINC000739716930 603006869 /nfs/dbraw/zinc/00/68/69/603006869.db2.gz HOUGKXUOQDGSNO-UHFFFAOYSA-N -1 0 342.326 3.934 20 0 EHADRM CC(C)c1cnc(NC(=O)[C@H](C)[C@@H](NC(=O)[O-])c2ccccc2)s1 ZINC000824476001 603010178 /nfs/dbraw/zinc/01/01/78/603010178.db2.gz FMGGMPQPOMVSEO-BXUZGUMPSA-N -1 0 347.440 3.850 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)/C=C\c2ccnc3ccccc23)c1 ZINC000740674225 603013775 /nfs/dbraw/zinc/01/37/75/603013775.db2.gz NZXPPOCHMCSLGB-HJWRWDBZSA-N -1 0 347.374 3.654 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@H]1C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000740572764 603018312 /nfs/dbraw/zinc/01/83/12/603018312.db2.gz RRQUVPBOSBCBRL-SJORKVTESA-N -1 0 339.395 3.805 20 0 EHADRM C[C@H](C(=O)NC[C@H](NC(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC000738626795 603021151 /nfs/dbraw/zinc/02/11/51/603021151.db2.gz WNNPOLGQPRCZLK-LRDDRELGSA-N -1 0 346.814 3.569 20 0 EHADRM CC(C)(NC(=O)Nc1cc(NC(=O)[O-])ccc1F)c1ccccc1 ZINC000738754767 603032374 /nfs/dbraw/zinc/03/23/74/603032374.db2.gz TWTAZJSJCOZIIZ-UHFFFAOYSA-N -1 0 331.347 3.972 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)c2cnc(C(C)(C)C)s2)cc1 ZINC000827921953 603048131 /nfs/dbraw/zinc/04/81/31/603048131.db2.gz UIKUKRWFQOFBFT-UHFFFAOYSA-N -1 0 334.397 3.774 20 0 EHADRM C[C@H](Oc1ccccc1Cl)C(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000825616393 603050792 /nfs/dbraw/zinc/05/07/92/603050792.db2.gz CLFBVWRCCLFDND-NSHDSACASA-N -1 0 349.770 3.827 20 0 EHADRM CC(C)N(C(=O)[C@@H]1CCCN(C(=O)[O-])C1)c1ccc(F)cc1Cl ZINC000737635369 603054121 /nfs/dbraw/zinc/05/41/21/603054121.db2.gz SGUUBPYLESRPJO-LLVKDONJSA-N -1 0 342.798 3.611 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)C2CCC(NC(=O)[O-])CC2)C1 ZINC000825851324 603061285 /nfs/dbraw/zinc/06/12/85/603061285.db2.gz HMPAGWRTUNLRCV-VWLISTAJSA-N -1 0 348.418 3.562 20 0 EHADRM Cc1cccc(C2(C(=O)NC3CCC(NC(=O)[O-])CC3)CCCC2)c1 ZINC000740166325 603062343 /nfs/dbraw/zinc/06/23/43/603062343.db2.gz PGYVKYNYVOJHRX-UHFFFAOYSA-N -1 0 344.455 3.502 20 0 EHADRM CCC[C@@](C)(NC(=O)[O-])C(=O)O[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000739297712 603104977 /nfs/dbraw/zinc/10/49/77/603104977.db2.gz RSHHADIRLQTPPD-KZULUSFZSA-N -1 0 346.383 3.772 20 0 EHADRM C[C@H](CNC(=O)c1ccc(NC(=O)[O-])cc1)Oc1ccc(Cl)cc1 ZINC000824973305 603136346 /nfs/dbraw/zinc/13/63/46/603136346.db2.gz HIRFIEUZAYCSIH-LLVKDONJSA-N -1 0 348.786 3.627 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccccc1CN(C)C(=O)[O-])c1ccccc1 ZINC000738920250 603141067 /nfs/dbraw/zinc/14/10/67/603141067.db2.gz MYYVAPPLUAMVMX-AWEZNQCLSA-N -1 0 341.411 3.722 20 0 EHADRM Cc1cc(C)c(NC(=O)COc2ccc(NC(=O)[O-])cc2)c(C)c1 ZINC000738227374 603156554 /nfs/dbraw/zinc/15/65/54/603156554.db2.gz XTWKMKBJBOUTKZ-UHFFFAOYSA-N -1 0 328.368 3.719 20 0 EHADRM C[C@H]1CCCCCN1C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739100232 603165699 /nfs/dbraw/zinc/16/56/99/603165699.db2.gz PGXWVAMAHKUDJZ-ZDUSSCGKSA-N -1 0 331.416 3.914 20 0 EHADRM CCN(Cc1ccccc1Cl)C(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739443295 603165986 /nfs/dbraw/zinc/16/59/86/603165986.db2.gz JBFLLQHHLXOZEV-TZMCWYRMSA-N -1 0 338.835 3.515 20 0 EHADRM CCCc1ccccc1NC(=O)[C@@H](NC(=O)[O-])c1ccccc1OC ZINC000739375455 603167683 /nfs/dbraw/zinc/16/76/83/603167683.db2.gz WTQDRTFOEOPUQS-KRWDZBQOSA-N -1 0 342.395 3.595 20 0 EHADRM COc1ccc(NC(=O)C2(c3ccccc3F)CC2)cc1NC(=O)[O-] ZINC000739917216 603168127 /nfs/dbraw/zinc/16/81/27/603168127.db2.gz SWOUADAGZWWYML-UHFFFAOYSA-N -1 0 344.342 3.595 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000740714543 603172732 /nfs/dbraw/zinc/17/27/32/603172732.db2.gz RQVDPPTZOGBCRJ-WDEREUQCSA-N -1 0 332.306 3.797 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)CO[C@H]2CCC[C@@H](C)C2)cc1 ZINC000825887375 603173455 /nfs/dbraw/zinc/17/34/55/603173455.db2.gz KZXVKYPOWFIBRL-IOASZLSFSA-N -1 0 334.416 3.549 20 0 EHADRM CCN(C(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1)[C@H](C)c1ccc(F)cc1 ZINC000739378400 603174334 /nfs/dbraw/zinc/17/43/34/603174334.db2.gz UDUYLWLBHXBCSK-XPKDYRNWSA-N -1 0 336.407 3.562 20 0 EHADRM O=C([O-])N1CCc2c(cccc2NC(=O)c2ccnc3ccccc32)C1 ZINC000740474898 603175887 /nfs/dbraw/zinc/17/58/87/603175887.db2.gz WZOKOMNRBCQQKW-UHFFFAOYSA-N -1 0 347.374 3.523 20 0 EHADRM Cc1ccc(CN(C(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)C(C)C)s1 ZINC000740122625 603181877 /nfs/dbraw/zinc/18/18/77/603181877.db2.gz QTHWFAABUIPUQG-KGLIPLIRSA-N -1 0 338.473 3.620 20 0 EHADRM CCO[C@@H](C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1)c1ccccc1 ZINC000827362024 603183095 /nfs/dbraw/zinc/18/30/95/603183095.db2.gz LZTNKHROVUWZHN-SUMWQHHRSA-N -1 0 342.395 3.732 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@H](C(=O)Nc2ccc(F)cc2C(F)(F)F)C1 ZINC000740572368 603194339 /nfs/dbraw/zinc/19/43/39/603194339.db2.gz LPWSFNNJEDAJQC-WPRPVWTQSA-N -1 0 348.296 3.609 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)C1 ZINC000740564014 603196673 /nfs/dbraw/zinc/19/66/73/603196673.db2.gz MBAXYQRTMCFSEE-DJIMGWMZSA-N -1 0 348.418 3.610 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)C1 ZINC000740564016 603196681 /nfs/dbraw/zinc/19/66/81/603196681.db2.gz MBAXYQRTMCFSEE-UAGQMJEPSA-N -1 0 348.418 3.610 20 0 EHADRM CC(=O)Nc1cccc(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)c1 ZINC000738587911 603199046 /nfs/dbraw/zinc/19/90/46/603199046.db2.gz MDEDTNLOKYLXMV-UHFFFAOYSA-N -1 0 347.758 3.641 20 0 EHADRM CC[C@H](NC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1)c1ccc(Cl)s1 ZINC000739262323 603206865 /nfs/dbraw/zinc/20/68/65/603206865.db2.gz ZRXUHVLRXXFHSC-MXWKQRLJSA-N -1 0 344.864 3.795 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(F)cc1F)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823715212 603216210 /nfs/dbraw/zinc/21/62/10/603216210.db2.gz RGGJKOMFLHYHJM-MEBBXXQBSA-N -1 0 334.322 3.548 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2C(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)cc1 ZINC000740116566 603216855 /nfs/dbraw/zinc/21/68/55/603216855.db2.gz ABELORDYNNIMLJ-KSZLIROESA-N -1 0 344.455 3.875 20 0 EHADRM CC(C)(CCC(=O)N(Cc1ccoc1)C1CCCCC1)NC(=O)[O-] ZINC000738738744 603218065 /nfs/dbraw/zinc/21/80/65/603218065.db2.gz JHGQVMDKHQYCTF-UHFFFAOYSA-N -1 0 336.432 3.767 20 0 EHADRM C[C@H](COc1ccccc1)NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000738939133 603226169 /nfs/dbraw/zinc/22/61/69/603226169.db2.gz LFDPOLKTWIMBME-LLVKDONJSA-N -1 0 348.786 3.627 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)o1 ZINC000832706519 603226776 /nfs/dbraw/zinc/22/67/76/603226776.db2.gz YVAYTNRPMVBLRA-UHFFFAOYSA-N -1 0 348.358 3.871 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CCC(C)(C)NC(=O)[O-])o1 ZINC000830282592 603230854 /nfs/dbraw/zinc/23/08/54/603230854.db2.gz RVAGFBWPFWEZKP-JSGCOSHPSA-N -1 0 336.432 3.714 20 0 EHADRM O=C([O-])NC[C@H]1CCC[C@@H]1NC(=O)Nc1cccc(Cl)c1Cl ZINC000832484230 603250606 /nfs/dbraw/zinc/25/06/06/603250606.db2.gz WCIAOEYEEGNRSV-SCZZXKLOSA-N -1 0 346.214 3.551 20 0 EHADRM Cc1ccc(C(=O)N(C)Cc2ccc(F)c(F)c2)cc1NC(=O)[O-] ZINC000830182268 603291156 /nfs/dbraw/zinc/29/11/56/603291156.db2.gz WIHFBXRXKVTBER-UHFFFAOYSA-N -1 0 334.322 3.635 20 0 EHADRM CC(C)C[C@](C)(CNC(=O)[O-])NC(=O)c1ccccc1C(F)(F)F ZINC000738805986 603291909 /nfs/dbraw/zinc/29/19/09/603291909.db2.gz LCBZAQBUCILTPK-OAHLLOKOSA-N -1 0 346.349 3.508 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)o1 ZINC000832705369 603293608 /nfs/dbraw/zinc/29/36/08/603293608.db2.gz JIOYDISECPDAJE-UHFFFAOYSA-N -1 0 344.367 3.621 20 0 EHADRM Cc1cc(CNC(=O)[O-])ccc1N(C(=O)C[C@@H]1C=CCC1)C1CC1 ZINC000740076984 603297013 /nfs/dbraw/zinc/29/70/13/603297013.db2.gz RBSMWUDDVJMKSB-CQSZACIVSA-N -1 0 328.412 3.614 20 0 EHADRM CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000827162264 603302757 /nfs/dbraw/zinc/30/27/57/603302757.db2.gz UHVWZORIBNEUGQ-UHFFFAOYSA-N -1 0 342.395 3.756 20 0 EHADRM CCN(C(=O)c1ccc(C)c(NC(=O)[O-])c1)c1cccc(OC)c1 ZINC000826983150 603310396 /nfs/dbraw/zinc/31/03/96/603310396.db2.gz DSHWAEIXQXZCQL-UHFFFAOYSA-N -1 0 328.368 3.760 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)N[C@H]2C[C@@H]2C2CCCCC2)c1 ZINC000832724843 603319290 /nfs/dbraw/zinc/31/92/90/603319290.db2.gz PSAHTFIKIAJBAR-CVEARBPZSA-N -1 0 331.416 3.545 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2cccc(CNC(=O)[O-])c2)cc1 ZINC000740111899 603322155 /nfs/dbraw/zinc/32/21/55/603322155.db2.gz AZBFESMNVZYWGE-ZDUSSCGKSA-N -1 0 327.384 3.645 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)Nc2cccc(CNC(=O)[O-])c2)o1 ZINC000740117530 603322600 /nfs/dbraw/zinc/32/26/00/603322600.db2.gz ILNYXIWXDJRDFL-OAHLLOKOSA-N -1 0 343.383 3.725 20 0 EHADRM CN(Cc1ccccc1NC(=O)NCCCC1CCCC1)C(=O)[O-] ZINC000739718364 603336213 /nfs/dbraw/zinc/33/62/13/603336213.db2.gz QKEKOFUWVWKUSR-UHFFFAOYSA-N -1 0 333.432 3.888 20 0 EHADRM Cc1ccc(CNC(=O)Nc2ccccc2CN(C)C(=O)[O-])cc1F ZINC000740130573 603337096 /nfs/dbraw/zinc/33/70/96/603337096.db2.gz UCWXKBJHGRXFQU-UHFFFAOYSA-N -1 0 345.374 3.566 20 0 EHADRM C[C@@H](c1ccco1)N(C)C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000739060971 603338273 /nfs/dbraw/zinc/33/82/73/603338273.db2.gz QRMHDORUBKELKI-LBPRGKRZSA-N -1 0 331.372 3.614 20 0 EHADRM CCN(Cc1cccc(NC(=O)Nc2cccc(OC)c2)c1)C(=O)[O-] ZINC000739445793 603344713 /nfs/dbraw/zinc/34/47/13/603344713.db2.gz HPOREAZLVOTSGV-UHFFFAOYSA-N -1 0 343.383 3.839 20 0 EHADRM CCN(Cc1ccccc1NC(=O)NCCc1ccsc1)C(=O)[O-] ZINC000739443698 603350983 /nfs/dbraw/zinc/35/09/83/603350983.db2.gz RZASOYSURFQROQ-UHFFFAOYSA-N -1 0 347.440 3.612 20 0 EHADRM CCOc1cc(F)ccc1NC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000827418665 603355956 /nfs/dbraw/zinc/35/59/56/603355956.db2.gz QXXKDJWQAGQCFO-UHFFFAOYSA-N -1 0 332.331 3.875 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2cccc(CN(C)C(=O)[O-])c2)cc1 ZINC000740114593 603357515 /nfs/dbraw/zinc/35/75/15/603357515.db2.gz SHQVVJFYCDJPLA-CQSZACIVSA-N -1 0 341.411 3.988 20 0 EHADRM CCc1cccc(CC)c1NC(=S)N[C@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000739540421 603375413 /nfs/dbraw/zinc/37/54/13/603375413.db2.gz GJMIBCIXXHSSMU-CABCVRRESA-N -1 0 349.500 3.534 20 0 EHADRM CC(C)c1cccc(NC(=S)N[C@H]2CCC[C@H]2CNC(=O)[O-])c1 ZINC000738875161 603376124 /nfs/dbraw/zinc/37/61/24/603376124.db2.gz BIKYCWRJIQFRHH-ZFWWWQNUSA-N -1 0 335.473 3.533 20 0 EHADRM Cc1ccc(CNC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)s1 ZINC000830317885 603379239 /nfs/dbraw/zinc/37/92/39/603379239.db2.gz SPRDRAQVMVFKJF-LLVKDONJSA-N -1 0 333.413 3.707 20 0 EHADRM Cc1ccnc(-c2ccc(NC(=O)c3ccc(NC(=O)[O-])cc3)cc2)n1 ZINC000738323895 603393216 /nfs/dbraw/zinc/39/32/16/603393216.db2.gz IISIFODTFAGZRZ-UHFFFAOYSA-N -1 0 348.362 3.794 20 0 EHADRM COc1cc(NC(=O)c2cnc3ccsc3c2)ccc1NC(=O)[O-] ZINC000739869955 603397535 /nfs/dbraw/zinc/39/75/35/603397535.db2.gz PZANPPLKRHQYGP-UHFFFAOYSA-N -1 0 343.364 3.647 20 0 EHADRM Cc1ccncc1C(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000740195160 603413694 /nfs/dbraw/zinc/41/36/94/603413694.db2.gz KZNORSIHVLKEHJ-UHFFFAOYSA-N -1 0 339.273 3.751 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)c2ccc(CNC(=O)[O-])cc2)c1C ZINC000740162489 603421134 /nfs/dbraw/zinc/42/11/34/603421134.db2.gz KHTNPEOKGJZSCA-AWEZNQCLSA-N -1 0 326.396 3.562 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@H](c2nc(-c3nccc4ccccc43)no2)C1 ZINC000832331723 603424657 /nfs/dbraw/zinc/42/46/57/603424657.db2.gz IRWYVHWDNUOXDH-STQMWFEESA-N -1 0 338.367 3.579 20 0 EHADRM CC(C)[C@@H](CC1CCCCC1)C(=O)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737613019 603431977 /nfs/dbraw/zinc/43/19/77/603431977.db2.gz TVTIHYIMNOCAOQ-QGZVFWFLSA-N -1 0 338.492 3.830 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)C/C=C/c2cccc(F)c2)c1 ZINC000832724705 603445389 /nfs/dbraw/zinc/44/53/89/603445389.db2.gz LILILQMKMOLPPN-HWKANZROSA-N -1 0 328.343 3.635 20 0 EHADRM CCC1(CC)CCN(C(=O)Nc2ccc(NC(=O)[O-])c(OC)c2)C1 ZINC000826649233 603467527 /nfs/dbraw/zinc/46/75/27/603467527.db2.gz AOQLEQQPOPVRRM-UHFFFAOYSA-N -1 0 335.404 3.829 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)[C@H]1CCC[C@@H]1NC(=O)[O-] ZINC000829866805 603477176 /nfs/dbraw/zinc/47/71/76/603477176.db2.gz DGOXNPIZLNOYPU-HOCLYGCPSA-N -1 0 348.443 3.685 20 0 EHADRM CC(C)Oc1cccc(CC(=O)Oc2cccc(NC(=O)[O-])c2)c1 ZINC000824418058 603477228 /nfs/dbraw/zinc/47/72/28/603477228.db2.gz HKPJYGFRODXTQM-UHFFFAOYSA-N -1 0 329.352 3.712 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)Oc1cccc2[nH]ccc21)c1ccccc1 ZINC000832118818 603487447 /nfs/dbraw/zinc/48/74/47/603487447.db2.gz CVXBBNCUFLDVPU-HNNXBMFYSA-N -1 0 338.363 3.862 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)CCCN(C)C(=O)[O-] ZINC000829867081 603518095 /nfs/dbraw/zinc/51/80/95/603518095.db2.gz ICOVABSFTBRFHN-UHFFFAOYSA-N -1 0 336.432 3.639 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000829174169 603526656 /nfs/dbraw/zinc/52/66/56/603526656.db2.gz QLHVWKGLIMBNQF-JOYOIKCWSA-N -1 0 340.807 3.747 20 0 EHADRM CCCN(CC(C)C)C(=O)c1cc(Cl)c(NC(=O)[O-])cc1OC ZINC000826904007 603530183 /nfs/dbraw/zinc/53/01/83/603530183.db2.gz NLRPQCGAOKTNJI-UHFFFAOYSA-N -1 0 342.823 3.947 20 0 EHADRM CCCN(CC1CC1)C(=O)c1cc(Cl)c(NC(=O)[O-])cc1OC ZINC000826906722 603530413 /nfs/dbraw/zinc/53/04/13/603530413.db2.gz FTKSONHUPKRPCG-UHFFFAOYSA-N -1 0 340.807 3.701 20 0 EHADRM C[C@H](c1ncc(C(C)(C)C)o1)N1CCC[C@@H]([C@@H]2CCCN2C(=O)[O-])C1 ZINC000825644360 603538444 /nfs/dbraw/zinc/53/84/44/603538444.db2.gz BTXQWPBWGNVLLV-KFWWJZLASA-N -1 0 349.475 3.888 20 0 EHADRM C[C@@H]1COc2ccccc2N1C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000826093629 603545814 /nfs/dbraw/zinc/54/58/14/603545814.db2.gz ISQIIDXVHMUNFB-SNVBAGLBSA-N -1 0 346.770 3.858 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N1C[C@H](C)CC[C@H]1C ZINC000829174072 603548626 /nfs/dbraw/zinc/54/86/26/603548626.db2.gz PKPDQQGDFNFSEY-NXEZZACHSA-N -1 0 340.807 3.699 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)c1cc2ccccc2s1 ZINC000825083341 603580139 /nfs/dbraw/zinc/58/01/39/603580139.db2.gz PNNLQBGPVVVSNP-CYZMBNFOSA-N -1 0 332.425 3.515 20 0 EHADRM CN(CC(C)(C)CNC(=O)[O-])C(=S)Nc1ccc2ccccc2c1 ZINC000828150342 603580899 /nfs/dbraw/zinc/58/08/99/603580899.db2.gz HKGPJYHYEJZGPZ-UHFFFAOYSA-N -1 0 345.468 3.762 20 0 EHADRM CC(C)c1ccc(NC(=S)N(C)CC(C)(C)CNC(=O)[O-])cc1 ZINC000824469701 603582274 /nfs/dbraw/zinc/58/22/74/603582274.db2.gz DBSSLEXBZJSBJT-UHFFFAOYSA-N -1 0 337.489 3.732 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cccc(C(F)F)c1)NC(=O)[O-] ZINC000826540731 603591300 /nfs/dbraw/zinc/59/13/00/603591300.db2.gz FJEQNJMZUUQTQS-UHFFFAOYSA-N -1 0 329.347 3.572 20 0 EHADRM CCN(CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1)C(=O)[O-] ZINC000827075561 603606144 /nfs/dbraw/zinc/60/61/44/603606144.db2.gz YNJYEZHQTPZNGO-UHFFFAOYSA-N -1 0 339.823 3.584 20 0 EHADRM CCN(Cc1cccc(NC(=O)c2cccc3cnccc32)c1)C(=O)[O-] ZINC000827170631 603609920 /nfs/dbraw/zinc/60/99/20/603609920.db2.gz JVZWAWPLEYYROT-UHFFFAOYSA-N -1 0 349.390 3.987 20 0 EHADRM CC(=O)c1ccc(-c2nc(-c3cccc(NC(=O)[O-])c3)no2)s1 ZINC000823628193 603639005 /nfs/dbraw/zinc/63/90/05/603639005.db2.gz MVRLJZWLJKHOJF-UHFFFAOYSA-N -1 0 329.337 3.758 20 0 EHADRM CCCn1ccc2ccc(NC(=O)C3CCC(NC(=O)[O-])CC3)cc21 ZINC000826965504 603702393 /nfs/dbraw/zinc/70/23/93/603702393.db2.gz YQRRNMZMKOTNEH-UHFFFAOYSA-N -1 0 343.427 3.816 20 0 EHADRM CC(C)(CC(=O)Nc1ccc(CNc2ccccc2)cc1)NC(=O)[O-] ZINC000823885230 603737928 /nfs/dbraw/zinc/73/79/28/603737928.db2.gz AWVQPTYUTOGKRC-UHFFFAOYSA-N -1 0 341.411 3.674 20 0 EHADRM CC(C)(c1nc(C2(NC(=O)[O-])CCC2)no1)c1ccccc1Cl ZINC000824039032 603769375 /nfs/dbraw/zinc/76/93/75/603769375.db2.gz RCXFGLBLYASNQQ-UHFFFAOYSA-N -1 0 335.791 3.696 20 0 EHADRM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)Nc1cccc(C)c1Cl ZINC000829611684 603770232 /nfs/dbraw/zinc/77/02/32/603770232.db2.gz SEFZHXZLKARZFY-OAHLLOKOSA-N -1 0 348.786 3.604 20 0 EHADRM Cc1cccc(NC(=O)[C@H](CNC(=O)[O-])c2ccccc2)c1Cl ZINC000830511602 603770621 /nfs/dbraw/zinc/77/06/21/603770621.db2.gz JVOPNOUVKZAYPF-CYBMUJFWSA-N -1 0 332.787 3.638 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1NC(=O)CC1CN(C(=O)[O-])C1 ZINC000830129159 603775560 /nfs/dbraw/zinc/77/55/60/603775560.db2.gz NLTABQKAKMHQOR-UHFFFAOYSA-N -1 0 340.379 3.726 20 0 EHADRM Cc1c(F)cccc1NC(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000829872298 603778717 /nfs/dbraw/zinc/77/87/17/603778717.db2.gz RPBGCXHGBKUJSW-INIZCTEOSA-N -1 0 330.359 3.862 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000832832618 603785869 /nfs/dbraw/zinc/78/58/69/603785869.db2.gz ABKWBKWMYVIYKT-PWSUYJOCSA-N -1 0 344.333 3.875 20 0 EHADRM Cc1nnc([C@H](C)OC(=O)c2cc3ccccc3cc2NC(=O)[O-])o1 ZINC000830881600 603794981 /nfs/dbraw/zinc/79/49/81/603794981.db2.gz XAQLQZLMBBVYDK-VIFPVBQESA-N -1 0 341.323 3.539 20 0 EHADRM C[C@H]1CCCN1C(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000825930878 603805581 /nfs/dbraw/zinc/80/55/81/603805581.db2.gz CCRNIVHARCPFPY-QMMMGPOBSA-N -1 0 331.294 3.812 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)OCc1cccc(Cl)n1)c1ccccc1 ZINC000832121104 603813132 /nfs/dbraw/zinc/81/31/32/603813132.db2.gz SRGLKUNOVUXCEH-CQSZACIVSA-N -1 0 348.786 3.567 20 0 EHADRM COc1cc(NC(=O)c2cc(F)c(C)cc2F)ccc1NC(=O)[O-] ZINC000829196691 603825153 /nfs/dbraw/zinc/82/51/53/603825153.db2.gz AXSWUDVKLFESAF-UHFFFAOYSA-N -1 0 336.294 3.624 20 0 EHADRM CCCOc1ccccc1NC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000826945174 603828646 /nfs/dbraw/zinc/82/86/46/603828646.db2.gz URTKLOFKAVJUDJ-GOOCMWNKSA-N -1 0 346.427 3.725 20 0 EHADRM Cc1cccc(NC(=S)N(C)CC[C@H](NC(=O)[O-])C(C)C)c1C ZINC000830521600 603831868 /nfs/dbraw/zinc/83/18/68/603831868.db2.gz KDJATZMHLYZHSU-AWEZNQCLSA-N -1 0 337.489 3.614 20 0 EHADRM Cc1ccccc1[C@@H](C)N(C)C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000830552939 603836178 /nfs/dbraw/zinc/83/61/78/603836178.db2.gz FGCGYFAPTVGQSM-MGNMYUMUSA-N -1 0 344.455 3.826 20 0 EHADRM O=C([O-])N[C@H]1CC[C@H](C(=O)Nc2ccc(-c3ccccc3)cc2F)C1 ZINC000832287679 603947490 /nfs/dbraw/zinc/94/74/90/603947490.db2.gz OYJGVHSLLKLSKV-GJZGRUSLSA-N -1 0 342.370 3.868 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)N2CCCCC[C@@H]2c2ccccc2)C1 ZINC000832246383 603951794 /nfs/dbraw/zinc/95/17/94/603951794.db2.gz JXSSBBQBXNOUGN-GVDBMIGSSA-N -1 0 330.428 3.567 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)c1cccc(C(F)F)c1 ZINC000831797537 603953615 /nfs/dbraw/zinc/95/36/15/603953615.db2.gz JOOMKTPNYDCZLX-UHFFFAOYSA-N -1 0 332.306 3.917 20 0 EHADRM COc1cc(F)ccc1NC(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000829141334 603966759 /nfs/dbraw/zinc/96/67/59/603966759.db2.gz BPOKMZMISZUXNU-UHFFFAOYSA-N -1 0 345.330 3.519 20 0 EHADRM C[C@@H]1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])[C@@H]2CCCC[C@H]12 ZINC000825938733 603976731 /nfs/dbraw/zinc/97/67/31/603976731.db2.gz PHXYJHMXNPOPEQ-YEUAOBPJSA-N -1 0 348.487 3.725 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)N1CCC[C@@H]1C1CCC1 ZINC000832068962 603992970 /nfs/dbraw/zinc/99/29/70/603992970.db2.gz GGPRQJZCMIPFIY-OAHLLOKOSA-N -1 0 329.400 3.524 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000832070002 603993273 /nfs/dbraw/zinc/99/32/73/603993273.db2.gz VAVCKXFQODLHKI-OAHLLOKOSA-N -1 0 341.367 3.689 20 0 EHADRM CC[C@@]1(C)CCCN(C(=O)Nc2cccc3c2CCN3C(=O)[O-])C1 ZINC000826644058 603996817 /nfs/dbraw/zinc/99/68/17/603996817.db2.gz DWQDGVCBXROGNL-SFHVURJKSA-N -1 0 331.416 3.771 20 0 EHADRM CC(C)CCc1ccccc1NC(=O)N(C)C1CCN(C(=O)[O-])CC1 ZINC000824244629 604010790 /nfs/dbraw/zinc/01/07/90/604010790.db2.gz JTSWOCCEXIJNSC-UHFFFAOYSA-N -1 0 347.459 3.881 20 0 EHADRM CCSCC[C@H](C)N(C)C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000827504671 604023054 /nfs/dbraw/zinc/02/30/54/604023054.db2.gz VUBOJJXWDULXBP-JTQLQIEISA-N -1 0 328.409 3.519 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cccc(NC(=O)[O-])c2)[C@H](c2ccco2)C1 ZINC000825944797 604025522 /nfs/dbraw/zinc/02/55/22/604025522.db2.gz QBUKGFWZNCATDP-DOMZBBRYSA-N -1 0 328.368 3.983 20 0 EHADRM Cc1c(Cl)cc(NC(=O)c2ccc(CNC(=O)[O-])o2)cc1Cl ZINC000829867949 604032914 /nfs/dbraw/zinc/03/29/14/604032914.db2.gz VBTIIDYFZVFVRN-UHFFFAOYSA-N -1 0 343.166 3.915 20 0 EHADRM Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000830444985 604035319 /nfs/dbraw/zinc/03/53/19/604035319.db2.gz DAFZKTQUSOUXAH-LBPRGKRZSA-N -1 0 326.352 3.513 20 0 EHADRM Cc1ccc(NC(=O)COc2cc(C)ccc2NC(=O)[O-])c(F)c1 ZINC000830376412 604050558 /nfs/dbraw/zinc/05/05/58/604050558.db2.gz FUIIXFCYJZLAHI-UHFFFAOYSA-N -1 0 332.331 3.550 20 0 EHADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)Nc2ccc(C(C)(C)C)cc2)C1 ZINC000825235720 604061064 /nfs/dbraw/zinc/06/10/64/604061064.db2.gz HDSNFLBWXVDSFW-ZIAGYGMSSA-N -1 0 347.459 3.884 20 0 EHADRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)Nc2ccc3ccccc3c2)C1 ZINC000825235756 604061084 /nfs/dbraw/zinc/06/10/84/604061084.db2.gz HSCRSOHRZDZKGS-XJKSGUPXSA-N -1 0 341.411 3.740 20 0 EHADRM CCc1cccc(CC)c1NC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000827596537 604065409 /nfs/dbraw/zinc/06/54/09/604065409.db2.gz VEDQDXXZZHUUOZ-CZUORRHYSA-N -1 0 347.459 3.711 20 0 EHADRM CC(C)c1cccc(NC(=O)N2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)c1 ZINC000824471082 604067014 /nfs/dbraw/zinc/06/70/14/604067014.db2.gz XHDOBQTXHKPQFL-HIFRSBDPSA-N -1 0 333.432 3.710 20 0 EHADRM CCCCCn1nc(C)cc1NC(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000826827165 604083803 /nfs/dbraw/zinc/08/38/03/604083803.db2.gz ZCKOYGXBKMABFY-UHFFFAOYSA-N -1 0 344.415 3.653 20 0 EHADRM CCS[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(NC(=O)[O-])cc2)C1 ZINC000827495817 604125076 /nfs/dbraw/zinc/12/50/76/604125076.db2.gz NDRZGSLZPSEJNB-ZIAGYGMSSA-N -1 0 337.445 3.962 20 0 EHADRM CCC(CC)N(C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])C1CC1 ZINC000826571461 604134233 /nfs/dbraw/zinc/13/42/33/604134233.db2.gz IPIGWSTYIKWYHX-UHFFFAOYSA-N -1 0 331.416 3.912 20 0 EHADRM CC(C)[C@H](CCN(C)C(=O)Nc1cc(F)ccc1Cl)NC(=O)[O-] ZINC000824084169 604136121 /nfs/dbraw/zinc/13/61/21/604136121.db2.gz JDYUYXOIHCWUDF-LBPRGKRZSA-N -1 0 345.802 3.625 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)N3CCC[C@H]4CCC[C@H]43)ccc21 ZINC000832018847 604138474 /nfs/dbraw/zinc/13/84/74/604138474.db2.gz RKANYOYEWHQDKW-CZUORRHYSA-N -1 0 343.427 3.914 20 0 EHADRM O=C([O-])NC1(CC(=O)Nc2cccc(SC(F)F)c2)CCC1 ZINC000832215660 604147309 /nfs/dbraw/zinc/14/73/09/604147309.db2.gz HLOXYWBCQROYEG-UHFFFAOYSA-N -1 0 330.356 3.520 20 0 EHADRM Cc1ccc(CCCCC(=O)N2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)cc1 ZINC000830296066 604202072 /nfs/dbraw/zinc/20/20/72/604202072.db2.gz FXLUYAFHTRITAN-AEFFLSMTSA-N -1 0 346.471 3.603 20 0 EHADRM C[C@@H](c1ccccc1)N(C)C(=O)CNc1cc(NC(=O)[O-])ccc1F ZINC000825638286 604216162 /nfs/dbraw/zinc/21/61/62/604216162.db2.gz MCIPWDNRQSICBC-LBPRGKRZSA-N -1 0 345.374 3.547 20 0 EHADRM O=C([O-])N(CC1CC1)C1CCN(Cc2nc3ccccc3s2)CC1 ZINC000831826075 604234267 /nfs/dbraw/zinc/23/42/67/604234267.db2.gz JBJICDSZGTWCLO-UHFFFAOYSA-N -1 0 345.468 3.651 20 0 EHADRM COc1ccc(NC(=O)C/C=C/c2cccc(F)c2)cc1NC(=O)[O-] ZINC000829453672 604245720 /nfs/dbraw/zinc/24/57/20/604245720.db2.gz IFWGAFBTGAKGEG-HWKANZROSA-N -1 0 344.342 3.966 20 0 EHADRM COc1cc(NC(=O)C/C=C/c2cccc(F)c2)ccc1NC(=O)[O-] ZINC000829153565 604245812 /nfs/dbraw/zinc/24/58/12/604245812.db2.gz IGNKSFAVZOQBRF-HWKANZROSA-N -1 0 344.342 3.966 20 0 EHADRM Cc1coc(-c2cccc(NC(=O)C3(NC(=O)[O-])CCCCC3)c2)n1 ZINC000830650647 604280003 /nfs/dbraw/zinc/28/00/03/604280003.db2.gz PGDXEFMHWPDESK-UHFFFAOYSA-N -1 0 343.383 3.559 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2ccnn2C2CCCC2)cc1 ZINC000262756317 604293621 /nfs/dbraw/zinc/29/36/21/604293621.db2.gz JONCKVABDHURSN-UHFFFAOYSA-N -1 0 341.411 3.613 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)N(C2CC2)C2CCCCC2)c1 ZINC000832724983 604299849 /nfs/dbraw/zinc/29/98/49/604299849.db2.gz UEXPRMAFWXRZPG-UHFFFAOYSA-N -1 0 331.416 3.783 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1ccc2c(cnn2C(C)C)c1 ZINC000738169155 604318317 /nfs/dbraw/zinc/31/83/17/604318317.db2.gz SMLRZPCMSWTHRN-UHFFFAOYSA-N -1 0 340.383 3.513 20 0 EHADRM C[C@@H](CC(=O)Nc1cccc(C(F)F)c1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824695175 604327602 /nfs/dbraw/zinc/32/76/02/604327602.db2.gz JSDFJDGULRVLBE-WCQYABFASA-N -1 0 340.370 3.979 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(C(=O)[O-])c(C)c2)n1 ZINC000821112388 604333466 /nfs/dbraw/zinc/33/34/66/604333466.db2.gz XLQUFHXYKNDLQQ-QGZVFWFLSA-N -1 0 339.395 3.766 20 0 EHADRM Cc1cccc(-c2cncc(C(=O)N(CC(=O)[O-])C3CCCC3)c2)c1 ZINC000621575496 604339623 /nfs/dbraw/zinc/33/96/23/604339623.db2.gz AORPMQQJAQPYGE-UHFFFAOYSA-N -1 0 338.407 3.526 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(C(=O)[O-])c(F)c2)n1 ZINC000832968665 604360726 /nfs/dbraw/zinc/36/07/26/604360726.db2.gz QLTXCEFMWLFQFU-INIZCTEOSA-N -1 0 343.358 3.596 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)/C=C\c1ccccc1F)c1ccccc1 ZINC000826090193 604375003 /nfs/dbraw/zinc/37/50/03/604375003.db2.gz QSBLFDYXZSPAPQ-SQVRQVGWSA-N -1 0 341.382 3.807 20 0 EHADRM Cc1ccc(CC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])s1 ZINC000832930671 604378948 /nfs/dbraw/zinc/37/89/48/604378948.db2.gz ZFOYJVBZXCGCPZ-MRXNPFEDSA-N -1 0 331.437 3.567 20 0 EHADRM CCc1cccc2c1N(C(=O)c1ccc(C(=O)[O-])c(F)c1)CCC2 ZINC000830269766 604390080 /nfs/dbraw/zinc/39/00/80/604390080.db2.gz GPOLPDHDULJSJQ-UHFFFAOYSA-N -1 0 327.355 3.679 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(F)cc1C(F)(F)F ZINC000828790180 604390646 /nfs/dbraw/zinc/39/06/46/604390646.db2.gz PYWGGGSLHFQGIB-UHFFFAOYSA-N -1 0 335.297 3.608 20 0 EHADRM Cc1cc(Cl)ncc1NC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000832886820 604408034 /nfs/dbraw/zinc/40/80/34/604408034.db2.gz MJIXCUBKNNEPPZ-NWDGAFQWSA-N -1 0 339.823 3.589 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccnn1C1CCCC1)c1cccc(Cl)c1 ZINC000833349420 604412466 /nfs/dbraw/zinc/41/24/66/604412466.db2.gz DGTAMRQCFMJXLX-HNNXBMFYSA-N -1 0 348.786 3.634 20 0 EHADRM CC[C@H](C)N1C(=O)N[C@@H](c2cscc2Cl)C(C(=O)[O-])=C1C ZINC000828753573 604463287 /nfs/dbraw/zinc/46/32/87/604463287.db2.gz RJNAIEDESDHJFA-MADCSZMMSA-N -1 0 328.821 3.625 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)[C@@H](C)COc2ccccc2)cc1 ZINC000825008956 604476516 /nfs/dbraw/zinc/47/65/16/604476516.db2.gz NNGKAMSAVUUITE-UONOGXRCSA-N -1 0 342.395 3.669 20 0 EHADRM CC(C)(CNC(=O)Nc1cc(C(=O)[O-])cs1)c1ccc(F)cc1 ZINC000826586022 604501656 /nfs/dbraw/zinc/50/16/56/604501656.db2.gz WHRPVUGRUSWIAU-UHFFFAOYSA-N -1 0 336.388 3.685 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)N2CCC[C@@H]2CC(=O)[O-])cc1 ZINC000830169726 604508467 /nfs/dbraw/zinc/50/84/67/604508467.db2.gz WRSIKYPFMVKPTF-GXTWGEPZSA-N -1 0 336.457 3.508 20 0 EHADRM C[C@H]1CN(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C(C)(C)C1 ZINC000828347922 604519060 /nfs/dbraw/zinc/51/90/60/604519060.db2.gz GUOSSVFBJISMBH-UKRRQHHQSA-N -1 0 332.444 3.669 20 0 EHADRM CCN(CC1CCN(C(=O)c2ccc3sccc3c2)CC1)C(=O)[O-] ZINC000827083985 604520616 /nfs/dbraw/zinc/52/06/16/604520616.db2.gz NGEUJGHQBJEULN-UHFFFAOYSA-N -1 0 346.452 3.753 20 0 EHADRM C[C@H](C1CC1)N(C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])C1CC1 ZINC000827214075 604522964 /nfs/dbraw/zinc/52/29/64/604522964.db2.gz YANIUHGORIDZFJ-CXAGYDPISA-N -1 0 344.455 3.811 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)N(CC1CC1)CC1CC1)c1ccccc1 ZINC000826088982 604523811 /nfs/dbraw/zinc/52/38/11/604523811.db2.gz GHIXUKOQLZVMBW-KRWDZBQOSA-N -1 0 344.455 3.670 20 0 EHADRM CC[C@H](C)CN(CC)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000828747653 604530043 /nfs/dbraw/zinc/53/00/43/604530043.db2.gz RVGGPKDYBUTYOQ-GOEBONIOSA-N -1 0 334.460 3.916 20 0 EHADRM CN(C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])C1CCCCC1 ZINC000830500099 604534747 /nfs/dbraw/zinc/53/47/47/604534747.db2.gz JBHLSQSZOGVDHG-MRXNPFEDSA-N -1 0 332.444 3.813 20 0 EHADRM Cc1cc([C@H](C)OC(=O)CCOc2cccc(C)c2)oc1C(=O)[O-] ZINC000832972363 604545188 /nfs/dbraw/zinc/54/51/88/604545188.db2.gz ZWFIRWJBIWAHRW-ZDUSSCGKSA-N -1 0 332.352 3.668 20 0 EHADRM COc1ccc(/C=C\C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC000832280523 604546264 /nfs/dbraw/zinc/54/62/64/604546264.db2.gz DANNKANQSKFSQP-PWWFUAJNSA-N -1 0 330.336 3.612 20 0 EHADRM CC(C)[C@H](C(=O)N1C[C@H](C(=O)[O-])c2ccccc21)c1ccc(F)cc1 ZINC000833466955 604556214 /nfs/dbraw/zinc/55/62/14/604556214.db2.gz PNPIEKIIQFGQLP-WMZOPIPTSA-N -1 0 341.382 3.780 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])cn1 ZINC000827117962 604558422 /nfs/dbraw/zinc/55/84/22/604558422.db2.gz NRAOQFKHPWEQOO-QGZVFWFLSA-N -1 0 340.423 3.787 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)Cc2c(C)[nH]c3ccccc32)oc1C(=O)[O-] ZINC000832872396 604562514 /nfs/dbraw/zinc/56/25/14/604562514.db2.gz PGEAIVBOIAWYRL-GFCCVEGCSA-N -1 0 341.363 3.923 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000262840895 604574208 /nfs/dbraw/zinc/57/42/08/604574208.db2.gz CESBKBNQURNZHT-LLVKDONJSA-N -1 0 327.833 3.531 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2c(F)c(F)cc(F)c2F)oc1C(=O)[O-] ZINC000832872690 604595804 /nfs/dbraw/zinc/59/58/04/604595804.db2.gz UBSVUBWAENKMKR-ZCFIWIBFSA-N -1 0 346.232 3.761 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2ccc(OC(C)C)c(N)c2)oc1C(=O)[O-] ZINC000832877416 604598779 /nfs/dbraw/zinc/59/87/79/604598779.db2.gz YQIYMRQBYLPZKE-NSHDSACASA-N -1 0 347.367 3.574 20 0 EHADRM C[C@H]1CC[C@H](NC(=O)Nc2cccc(SCCC(=O)[O-])c2)CC1 ZINC000833740946 604603095 /nfs/dbraw/zinc/60/30/95/604603095.db2.gz VGXPPKLTJCUJQB-JOCQHMNTSA-N -1 0 336.457 3.954 20 0 EHADRM CCCCOc1ccc(NC(=O)N2CCC[C@@H]2CC(=O)[O-])c(C)c1 ZINC000829422420 604623116 /nfs/dbraw/zinc/62/31/16/604623116.db2.gz WEOBQSYEHOLJOH-CQSZACIVSA-N -1 0 334.416 3.645 20 0 EHADRM C[C@H](Oc1ccc(CN2CCCC[C@@H]2c2nccs2)cc1)C(=O)[O-] ZINC000833541903 604623194 /nfs/dbraw/zinc/62/31/94/604623194.db2.gz PFAPMQWMNBEBBL-XJKSGUPXSA-N -1 0 346.452 3.722 20 0 EHADRM O=C([O-])c1cnc(/C=C\c2ccc(F)cc2Br)s1 ZINC000486549767 604625995 /nfs/dbraw/zinc/62/59/95/604625995.db2.gz UNBIVCMSAIJATP-RQOWECAXSA-N -1 0 328.162 3.913 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000832777329 604626320 /nfs/dbraw/zinc/62/63/20/604626320.db2.gz IHSSKLQDWPGENH-JTQLQIEISA-N -1 0 328.821 3.533 20 0 EHADRM COC(=O)c1cc(NCc2cc3ccccc3o2)cc(C(=O)[O-])c1 ZINC000831323332 604642876 /nfs/dbraw/zinc/64/28/76/604642876.db2.gz XMKQYNSYYXHSBN-UHFFFAOYSA-N -1 0 325.320 3.530 20 0 EHADRM COc1ccc(C)cc1NCc1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000832264417 604646966 /nfs/dbraw/zinc/64/69/66/604646966.db2.gz CMNQFPPGZYSPMP-UHFFFAOYSA-N -1 0 329.396 3.696 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NCC12CCC(CC1)C2)C(=O)[O-] ZINC000630297375 604649338 /nfs/dbraw/zinc/64/93/38/604649338.db2.gz NBSBNICHJQRRSX-ZVLZOBCMSA-N -1 0 333.453 3.562 20 0 EHADRM C[C@H](C(=O)O[C@H](C1CC1)C(F)(F)F)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823731743 604661573 /nfs/dbraw/zinc/66/15/73/604661573.db2.gz PNIMCGZVIDOBKO-ZWKOPEQDSA-N -1 0 345.317 3.516 20 0 EHADRM O=C([O-])c1cccc(CC(=O)NCc2ccc(Cl)cc2Cl)c1 ZINC000540774364 604664512 /nfs/dbraw/zinc/66/45/12/604664512.db2.gz KWSURVUEFJRLMP-UHFFFAOYSA-N -1 0 338.190 3.551 20 0 EHADRM Cc1cc(F)cc(NC(=O)NCCc2ccc(NC(=O)[O-])cc2)c1 ZINC000832888140 604666575 /nfs/dbraw/zinc/66/65/75/604666575.db2.gz QAQSTWJRDSBLGO-UHFFFAOYSA-N -1 0 331.347 3.588 20 0 EHADRM CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000823603797 604667613 /nfs/dbraw/zinc/66/76/13/604667613.db2.gz HPETUBYCXAARQC-UHFFFAOYSA-N -1 0 347.758 3.641 20 0 EHADRM CN(C)c1c(Cl)cccc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000833691631 604712922 /nfs/dbraw/zinc/71/29/22/604712922.db2.gz RNOSSTMRJWSGEJ-UHFFFAOYSA-N -1 0 346.814 3.676 20 0 EHADRM Cc1nc(-c2cccc(C(=O)N(C)C3(C(=O)[O-])CCCC3)c2)cs1 ZINC000832991516 604716640 /nfs/dbraw/zinc/71/66/40/604716640.db2.gz VIIJDWDUHDOYJI-UHFFFAOYSA-N -1 0 344.436 3.588 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H]2CCCc2ccccc2)C1 ZINC000263567075 604717176 /nfs/dbraw/zinc/71/71/76/604717176.db2.gz GJTHFPJAZBRYBZ-GUDVDZBRSA-N -1 0 343.467 3.891 20 0 EHADRM C[C@@H](C(=O)N(C)C1(C(=O)[O-])CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000825972091 604717477 /nfs/dbraw/zinc/71/74/77/604717477.db2.gz KEWNRSGNRIFLLY-SNVBAGLBSA-N -1 0 344.238 3.953 20 0 EHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000761581084 604736200 /nfs/dbraw/zinc/73/62/00/604736200.db2.gz VWNXNQHLWKTPIQ-LPQFERQCSA-N -1 0 329.783 3.685 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)NC1(C(F)(F)F)CCCCC1 ZINC000833764116 604746477 /nfs/dbraw/zinc/74/64/77/604746477.db2.gz XDQCEEPNTOPCNC-UHFFFAOYSA-N -1 0 343.345 3.699 20 0 EHADRM CC[C@@H]1CN(C(=O)CCc2ccccc2C(=O)[O-])c2ccccc2O1 ZINC000833650182 604763812 /nfs/dbraw/zinc/76/38/12/604763812.db2.gz XVHKREKZXAOCQK-OAHLLOKOSA-N -1 0 339.391 3.522 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccc(C(C)=O)cc1 ZINC000829028135 604764843 /nfs/dbraw/zinc/76/48/43/604764843.db2.gz SQZZMRXUECTRGE-GOSISDBHSA-N -1 0 339.391 3.567 20 0 EHADRM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000262157361 604775920 /nfs/dbraw/zinc/77/59/20/604775920.db2.gz NQOACXNMDSSHAU-QAPCUYQASA-N -1 0 337.419 3.722 20 0 EHADRM CC(C)(C)OC(=O)c1ccc(C(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC000833445138 604795980 /nfs/dbraw/zinc/79/59/80/604795980.db2.gz XSXVDJWWQNPIKM-UHFFFAOYSA-N -1 0 347.392 3.654 20 0 EHADRM C[C@H](CC(=O)Nc1cccc(C(F)F)c1)C1CCN(C(=O)[O-])CC1 ZINC000824694304 604810402 /nfs/dbraw/zinc/81/04/02/604810402.db2.gz FESCNPVXODKHEQ-LLVKDONJSA-N -1 0 340.370 3.979 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000777378111 604815172 /nfs/dbraw/zinc/81/51/72/604815172.db2.gz OWOWMCALGCLZAP-JLHYYAGUSA-N -1 0 339.366 3.512 20 0 EHADRM CC(C)c1ncc(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)s1 ZINC000827158263 604815515 /nfs/dbraw/zinc/81/55/15/604815515.db2.gz FWQWNTBHJLCZIH-GFCCVEGCSA-N -1 0 339.800 3.903 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CCCCc3ccccc32)cc1F ZINC000833130045 604817846 /nfs/dbraw/zinc/81/78/46/604817846.db2.gz GXJNZQPBYMBKQU-QGZVFWFLSA-N -1 0 327.355 3.721 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)oc1C ZINC000237880159 604830096 /nfs/dbraw/zinc/83/00/96/604830096.db2.gz PXNISSOIHDPLRK-UHFFFAOYSA-N -1 0 339.347 3.765 20 0 EHADRM Cc1ccc(F)c2c1CCCN2C(=O)CCc1ccccc1C(=O)[O-] ZINC000833749700 604836863 /nfs/dbraw/zinc/83/68/63/604836863.db2.gz RZUCWXABBQYRBC-UHFFFAOYSA-N -1 0 341.382 3.744 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000833596582 604836948 /nfs/dbraw/zinc/83/69/48/604836948.db2.gz FMCNAXUTFWGKHR-ZRGWGRIASA-N -1 0 337.419 3.720 20 0 EHADRM Cc1cccc([C@@H](C)C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)c1 ZINC000237492144 604849056 /nfs/dbraw/zinc/84/90/56/604849056.db2.gz XQQYOSUZJDQSJH-GFCCVEGCSA-N -1 0 347.798 3.854 20 0 EHADRM Cc1cccc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)c1F ZINC000832963184 604850364 /nfs/dbraw/zinc/85/03/64/604850364.db2.gz NBCGGQXJTBSQMA-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM Cc1cc(C)cc(CCC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)c1 ZINC000832875647 604859727 /nfs/dbraw/zinc/85/97/27/604859727.db2.gz ALSORPFTETVZDP-UHFFFAOYSA-N -1 0 326.396 3.989 20 0 EHADRM CCc1ccc(CCC(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000327258601 604860259 /nfs/dbraw/zinc/86/02/59/604860259.db2.gz ALIKSJHXIQPXLG-SFHVURJKSA-N -1 0 337.419 3.787 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cccc(Cl)c1Cl)c1ccccc1 ZINC000013224090 604864858 /nfs/dbraw/zinc/86/48/58/604864858.db2.gz IKIKERHPLLVLGY-CYBMUJFWSA-N -1 0 338.190 3.939 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(c2nc(-c3cccc(Cl)c3)no2)C1 ZINC000649405879 604872815 /nfs/dbraw/zinc/87/28/15/604872815.db2.gz SIDXFKWAHFBLEL-GFCCVEGCSA-N -1 0 349.818 3.717 20 0 EHADRM C[C@H](C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1)c1ccccc1F ZINC000833410998 604879555 /nfs/dbraw/zinc/87/95/55/604879555.db2.gz KGLXBVOJFAPTMG-QMMMGPOBSA-N -1 0 334.372 3.600 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)[C@H]2CCCc3sccc32)cc1 ZINC000833263646 604890021 /nfs/dbraw/zinc/89/00/21/604890021.db2.gz PMBORIPPXGOUEV-AWEZNQCLSA-N -1 0 348.445 3.950 20 0 EHADRM CC1=C(C(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])CCC1 ZINC000262096642 604893628 /nfs/dbraw/zinc/89/36/28/604893628.db2.gz MHXKNMSOEWWYGV-SFHVURJKSA-N -1 0 337.419 3.700 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000833456929 604893660 /nfs/dbraw/zinc/89/36/60/604893660.db2.gz COIDISJJVBFIQG-UHFFFAOYSA-N -1 0 337.725 3.732 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N2CCc3ccc(F)cc3C2)cc1 ZINC000833289783 604894040 /nfs/dbraw/zinc/89/40/40/604894040.db2.gz KRIFCMDYJWQJHH-UHFFFAOYSA-N -1 0 329.331 3.506 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)CC/C=C\c2ccccc2)C1 ZINC000679102571 604894153 /nfs/dbraw/zinc/89/41/53/604894153.db2.gz AIIFTZRPCZGHNC-KOJMWDNASA-N -1 0 329.440 3.829 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)C2(Cc3ccccc3)CCC2)C1 ZINC000679104144 604897587 /nfs/dbraw/zinc/89/75/87/604897587.db2.gz SEQRRFBLPLKSJX-KRWDZBQOSA-N -1 0 343.467 3.749 20 0 EHADRM CCC(CC)(CC)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000828810506 604905344 /nfs/dbraw/zinc/90/53/44/604905344.db2.gz MAEJEQBVSWUZQF-UHFFFAOYSA-N -1 0 327.808 3.958 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1scnc1C1CC1)c1ccccc1 ZINC000833412915 604911569 /nfs/dbraw/zinc/91/15/69/604911569.db2.gz MGOUJCDZCQCQJN-HNNXBMFYSA-N -1 0 344.436 3.602 20 0 EHADRM C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000828252491 604920710 /nfs/dbraw/zinc/92/07/10/604920710.db2.gz UELJKRGUCNNXAQ-ZWNOBZJWSA-N -1 0 340.807 3.504 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)C2CCC(C)(C)CC2)cc1 ZINC000832225977 604920974 /nfs/dbraw/zinc/92/09/74/604920974.db2.gz FSZCQVQEBDQRBL-MRXNPFEDSA-N -1 0 333.428 3.544 20 0 EHADRM Cc1ccc([C@H](NC(=O)c2ccc(C(=O)[O-])c(F)c2)C2CC2)cc1 ZINC000832924542 604924635 /nfs/dbraw/zinc/92/46/35/604924635.db2.gz LTCWCQSLAHGHIE-KRWDZBQOSA-N -1 0 327.355 3.713 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000832927623 604929932 /nfs/dbraw/zinc/92/99/32/604929932.db2.gz FMKSVDIGWPNGOB-QGZVFWFLSA-N -1 0 327.355 3.810 20 0 EHADRM CC(C)[C@H](CNC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000826687905 604931874 /nfs/dbraw/zinc/93/18/74/604931874.db2.gz RUUOCXCQOMANFK-INIZCTEOSA-N -1 0 329.371 3.694 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)/C=C/c1ccccc1F ZINC000777392658 604933950 /nfs/dbraw/zinc/93/39/50/604933950.db2.gz SZIKUFBBBFDRND-OUKQBFOZSA-N -1 0 341.382 3.733 20 0 EHADRM Cc1cc2c(ncnc2NC[C@@H](C(=O)[O-])c2ccc(C)cc2)s1 ZINC000833748871 604941354 /nfs/dbraw/zinc/94/13/54/604941354.db2.gz ICDXNYHNORAYBC-CQSZACIVSA-N -1 0 327.409 3.588 20 0 EHADRM CCCOc1cccc(CCNC(=O)c2ccccc2NC(=O)[O-])c1 ZINC000829541909 604958638 /nfs/dbraw/zinc/95/86/38/604958638.db2.gz VOSHLNIPIXXVAG-UHFFFAOYSA-N -1 0 342.395 3.538 20 0 EHADRM C[C@]1(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)CCCC[C@@H]1C(=O)[O-] ZINC000262758789 604960221 /nfs/dbraw/zinc/96/02/21/604960221.db2.gz KDXSWVXLLXVDEG-ZAZJYDDPSA-N -1 0 335.366 3.505 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000325940298 604962633 /nfs/dbraw/zinc/96/26/33/604962633.db2.gz XRQUTTYPSNLWOI-UHFFFAOYSA-N -1 0 343.770 3.574 20 0 EHADRM Cc1cccc(C(C)(C)CNC(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000832966797 604963526 /nfs/dbraw/zinc/96/35/26/604963526.db2.gz ZHANHOQPUUSEEM-UHFFFAOYSA-N -1 0 329.371 3.540 20 0 EHADRM C[C@H](CC(=O)N1CC[C@H]1c1cccc(F)c1)C1CCN(C(=O)[O-])CC1 ZINC000824570001 604967695 /nfs/dbraw/zinc/96/76/95/604967695.db2.gz AHYBKONUQUYNGT-DYVFJYSZSA-N -1 0 348.418 3.515 20 0 EHADRM C[C@@]1(NC(=O)c2cc(C(F)(F)F)ccc2F)CCCC[C@@H]1C(=O)[O-] ZINC000833567525 604969005 /nfs/dbraw/zinc/96/90/05/604969005.db2.gz NPJUKVXBHUPJKH-IAQYHMDHSA-N -1 0 347.308 3.608 20 0 EHADRM C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)[C@H](C)NC(=O)[O-] ZINC000825172645 604976439 /nfs/dbraw/zinc/97/64/39/604976439.db2.gz WMBGAYIRNNCMEQ-UONOGXRCSA-N -1 0 326.396 3.529 20 0 EHADRM C[C@H](NC(=O)[O-])C(=O)O[C@@H](C)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000833534036 604983772 /nfs/dbraw/zinc/98/37/72/604983772.db2.gz QGWXRUSEGKKOMM-BQBZGAKWSA-N -1 0 339.697 3.619 20 0 EHADRM Cc1nc(-c2ccc(N[C@@H](C(=O)[O-])c3cccnc3)cc2)cs1 ZINC000832990767 604989148 /nfs/dbraw/zinc/98/91/48/604989148.db2.gz BGAOCZIDNISKJJ-MRXNPFEDSA-N -1 0 325.393 3.751 20 0 EHADRM CCCC[C@H](NC(=O)Nc1nc(CCC(=O)[O-])cs1)C1CCC1 ZINC000829296131 604993564 /nfs/dbraw/zinc/99/35/64/604993564.db2.gz OMDCBABKRASGAQ-ZDUSSCGKSA-N -1 0 339.461 3.641 20 0 EHADRM CCc1nc(NC(=O)C[C@H](C)c2cccc(F)c2)sc1C(=O)[O-] ZINC000833676168 604998102 /nfs/dbraw/zinc/99/81/02/604998102.db2.gz LTGVQHHLWOVUSG-VIFPVBQESA-N -1 0 336.388 3.675 20 0 EHADRM C[C@@H](N[C@@H](C(=O)[O-])c1cccnc1)c1nc(-c2ccccc2)cs1 ZINC000827718464 605000473 /nfs/dbraw/zinc/00/04/73/605000473.db2.gz SORHHVZDAXZSSX-MLGOLLRUSA-N -1 0 339.420 3.682 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2c(Cl)cccc2Cl)C1 ZINC000317034659 605000533 /nfs/dbraw/zinc/00/05/33/605000533.db2.gz AJNTWPWWJJKTRM-JTQLQIEISA-N -1 0 344.238 3.956 20 0 EHADRM Cc1cc(N[C@@H](C(=O)[O-])c2cccnc2)ccc1OCC(F)(F)F ZINC000832897777 605002723 /nfs/dbraw/zinc/00/27/23/605002723.db2.gz XKXVPFOCOXKKSY-CQSZACIVSA-N -1 0 340.301 3.569 20 0 EHADRM Cc1scc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)c1C ZINC000833759108 605010359 /nfs/dbraw/zinc/01/03/59/605010359.db2.gz NUZFCAIHCQPLFP-UHFFFAOYSA-N -1 0 339.800 3.734 20 0 EHADRM Cc1scc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c1C ZINC000833759217 605014991 /nfs/dbraw/zinc/01/49/91/605014991.db2.gz WUJBEEJQOSQFQH-HNNXBMFYSA-N -1 0 331.437 3.947 20 0 EHADRM C[C@@H](OC(=O)c1cncc(C(=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000833536451 605016491 /nfs/dbraw/zinc/01/64/91/605016491.db2.gz PJXVXUABHRRATE-SECBINFHSA-N -1 0 339.269 3.717 20 0 EHADRM CC(C)(C)OCc1ccccc1C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000833445674 605020990 /nfs/dbraw/zinc/02/09/90/605020990.db2.gz KQRZZBGHJSOYNU-UHFFFAOYSA-N -1 0 342.391 3.848 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)c1cncc(C(=O)[O-])c1)c1ccccc1 ZINC000833425810 605028515 /nfs/dbraw/zinc/02/85/15/605028515.db2.gz YADHRJYENDBZKD-MRXNPFEDSA-N -1 0 326.396 3.687 20 0 EHADRM C[C@H](C(=O)OCc1ccc(C(=O)[O-])c(F)c1)c1c(F)cccc1F ZINC000833408621 605035981 /nfs/dbraw/zinc/03/59/81/605035981.db2.gz FGNVDTMKEXNOBN-VIFPVBQESA-N -1 0 338.281 3.649 20 0 EHADRM C[C@@H](C(=O)N1CCCc2c(C(=O)[O-])cccc21)c1c(F)cccc1F ZINC000833404835 605042783 /nfs/dbraw/zinc/04/27/83/605042783.db2.gz UYRIBBAGOLJQFK-LLVKDONJSA-N -1 0 345.345 3.746 20 0 EHADRM CC(C)c1ccc(C(=O)[C@H](C)OC(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000833525662 605071636 /nfs/dbraw/zinc/07/16/36/605071636.db2.gz AWWMRSFPCAOIHQ-IGEOTXOUSA-N -1 0 346.423 3.815 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccc(Cl)cc2C(=O)[O-])CCO1 ZINC000833472989 605073338 /nfs/dbraw/zinc/07/33/38/605073338.db2.gz YCOVYTKVJQNBNV-NHYWBVRUSA-N -1 0 339.819 3.818 20 0 EHADRM C[C@@H](OC(=O)C1CCC(C(=O)[O-])CC1)c1ccc(F)c(Cl)c1 ZINC000833530625 605076111 /nfs/dbraw/zinc/07/61/11/605076111.db2.gz ZBUZSCXBHVZRIG-KPPDAEKUSA-N -1 0 328.767 3.974 20 0 EHADRM CC(C)CCOc1ccccc1CNC(=O)C1CCC(C(=O)[O-])CC1 ZINC000262734291 605083455 /nfs/dbraw/zinc/08/34/55/605083455.db2.gz VEKZHTDDJJXPCR-UHFFFAOYSA-N -1 0 347.455 3.619 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cccc2ccc(C)nc21)C(=O)[O-] ZINC000325420081 605099354 /nfs/dbraw/zinc/09/93/54/605099354.db2.gz NPIKONCXEUMWOL-UHFFFAOYSA-N -1 0 329.400 3.556 20 0 EHADRM CC(C)C[C@H](C)NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000833475072 605100626 /nfs/dbraw/zinc/10/06/26/605100626.db2.gz INRWPBMFYYWVMF-VIFPVBQESA-N -1 0 332.322 3.960 20 0 EHADRM CC(C)C[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])c1nc2ccccc2[nH]1 ZINC000833476541 605102144 /nfs/dbraw/zinc/10/21/44/605102144.db2.gz CMIASDKURBEQBG-OAHLLOKOSA-N -1 0 345.443 3.657 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000833456758 605102173 /nfs/dbraw/zinc/10/21/73/605102173.db2.gz YTYQBCOTEYFCGM-UHFFFAOYSA-N -1 0 332.425 3.563 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1nc(-c2ccccc2F)cs1 ZINC000833456634 605106070 /nfs/dbraw/zinc/10/60/70/605106070.db2.gz SMMOLKFWZLNZRN-UHFFFAOYSA-N -1 0 336.388 3.779 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000190650566 605111333 /nfs/dbraw/zinc/11/13/33/605111333.db2.gz AMPSDNKLIXZTEB-UHFFFAOYSA-N -1 0 333.428 3.975 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2ccc(Oc3ccccn3)cc2)CC1 ZINC000833772004 605122987 /nfs/dbraw/zinc/12/29/87/605122987.db2.gz BNPBVANYZZZXSJ-UHFFFAOYSA-N -1 0 340.379 3.703 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)c2ccccc21 ZINC000833605524 605127464 /nfs/dbraw/zinc/12/74/64/605127464.db2.gz ZXQKDWDXVOHSQP-COXVUDFISA-N -1 0 342.439 3.521 20 0 EHADRM C[C@@H]1CCCCN1C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000050208688 605130142 /nfs/dbraw/zinc/13/01/42/605130142.db2.gz SLTMFFWSIHYKQC-SECBINFHSA-N -1 0 341.205 3.554 20 0 EHADRM C[C@@H]1CCCN(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])C1 ZINC000321012337 605135351 /nfs/dbraw/zinc/13/53/51/605135351.db2.gz SOUIFKVCCQDTIA-SECBINFHSA-N -1 0 330.306 3.667 20 0 EHADRM CCc1nc(NC(=O)[C@H](c2ccccc2)C2CC2)sc1C(=O)[O-] ZINC000833673008 605140312 /nfs/dbraw/zinc/14/03/12/605140312.db2.gz GDBKFNWFPXCSIL-CYBMUJFWSA-N -1 0 330.409 3.536 20 0 EHADRM C[C@H]1CC[C@H](C(=O)Nc2ncc(Cc3cccc(C(=O)[O-])c3)s2)C1 ZINC000833606794 605146776 /nfs/dbraw/zinc/14/67/76/605146776.db2.gz WABCTIQUDZGOLZ-AAEUAGOBSA-N -1 0 344.436 3.807 20 0 EHADRM O=C([O-])C[C@H](NC(=O)NCCC1=CCCC1)c1ccc(Cl)cc1 ZINC000833775767 605147679 /nfs/dbraw/zinc/14/76/79/605147679.db2.gz NECDFEUCJKNDCN-HNNXBMFYSA-N -1 0 336.819 3.655 20 0 EHADRM C[C@@H]1CSC(S[C@H](C(=O)[O-])c2cccc(Br)c2)=N1 ZINC000833631134 605149718 /nfs/dbraw/zinc/14/97/18/605149718.db2.gz HPBNWWDMUUGHSJ-XCBNKYQSSA-N -1 0 346.271 3.799 20 0 EHADRM Cc1ccc(C(=O)O[C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)nc1 ZINC000833747863 605151552 /nfs/dbraw/zinc/15/15/52/605151552.db2.gz MGQQJVKPQJIYRX-ZDUSSCGKSA-N -1 0 339.269 3.549 20 0 EHADRM CC(C)c1cn(CN2CC[C@@H](C(=O)[O-])c3ccccc32)c(=S)n1C ZINC000833511167 605153274 /nfs/dbraw/zinc/15/32/74/605153274.db2.gz DLCCIPHVKXJUSQ-CQSZACIVSA-N -1 0 345.468 3.715 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)Nc2cc(C(=O)[O-])ccc2C)c1C(C)C ZINC000352295577 605153762 /nfs/dbraw/zinc/15/37/62/605153762.db2.gz RNHCCHCQVBAUTK-UHFFFAOYSA-N -1 0 342.395 3.908 20 0 EHADRM Cc1c(C(=O)[O-])csc1NC(=O)c1csc(-c2ccoc2)n1 ZINC000833741513 605158480 /nfs/dbraw/zinc/15/84/80/605158480.db2.gz QDRXHEZUSSBHKD-UHFFFAOYSA-N -1 0 334.378 3.724 20 0 EHADRM C[C@@H]1CCC[C@H](OCCCCCC(=O)Nc2cc(C(=O)[O-])ccn2)C1 ZINC000833608844 605162000 /nfs/dbraw/zinc/16/20/00/605162000.db2.gz QAJSXYXQHGMBRV-ZBFHGGJFSA-N -1 0 348.443 3.874 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1C(C)C ZINC000761749953 605162906 /nfs/dbraw/zinc/16/29/06/605162906.db2.gz ZQVGXRCRZXFZPW-UHFFFAOYSA-N -1 0 346.358 3.739 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000833508102 605167704 /nfs/dbraw/zinc/16/77/04/605167704.db2.gz VLSBUDKIWQUNJN-UHFFFAOYSA-N -1 0 334.416 3.773 20 0 EHADRM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC000833599042 605172743 /nfs/dbraw/zinc/17/27/43/605172743.db2.gz VSCGDGJYGLVXKQ-MEDUHNTESA-N -1 0 343.358 3.534 20 0 EHADRM CC1(CNC(=O)Nc2nc(CCC(=O)[O-])cs2)CCCCCC1 ZINC000833563648 605181383 /nfs/dbraw/zinc/18/13/83/605181383.db2.gz MICMILDKJCDMRM-UHFFFAOYSA-N -1 0 339.461 3.642 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000826581894 605215306 /nfs/dbraw/zinc/21/53/06/605215306.db2.gz RCBPYTZVWCSDOC-GFCCVEGCSA-N -1 0 344.415 3.825 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)OC/C=C\c1cccc(C(F)(F)F)c1 ZINC000833509321 605231180 /nfs/dbraw/zinc/23/11/80/605231180.db2.gz LCDDJYXLPWSYJH-AGLBCWCQSA-N -1 0 345.317 3.554 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)Cc1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000833428375 605232473 /nfs/dbraw/zinc/23/24/73/605232473.db2.gz QTSFUWFYAHJLFC-CQSZACIVSA-N -1 0 347.436 3.785 20 0 EHADRM CC(C)(C)[C@H](NC(=O)Cc1ccccc1C(=O)[O-])c1ccc(F)cc1 ZINC000262285085 605233411 /nfs/dbraw/zinc/23/34/11/605233411.db2.gz VHGICXWHMXNRNN-GOSISDBHSA-N -1 0 343.398 3.970 20 0 EHADRM CCC(CC)n1ccc(C(=O)Nc2cccc(CN(C)C(=O)[O-])c2)n1 ZINC000826575648 605240480 /nfs/dbraw/zinc/24/04/80/605240480.db2.gz LDTBXIWEJJMPAM-UHFFFAOYSA-N -1 0 344.415 3.606 20 0 EHADRM CN(Cc1cc(F)c(F)c(F)c1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000833694024 605240945 /nfs/dbraw/zinc/24/09/45/605240945.db2.gz GDWXAIVBRZIHCP-UHFFFAOYSA-N -1 0 344.314 3.528 20 0 EHADRM COc1cc(NCc2occc2Br)ccc1NC(=O)[O-] ZINC000829198100 605244661 /nfs/dbraw/zinc/24/46/61/605244661.db2.gz NEOUWJFBKYRNNM-UHFFFAOYSA-N -1 0 341.161 3.753 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)CCCc1ccc2ccccc2c1 ZINC000263287006 605247439 /nfs/dbraw/zinc/24/74/39/605247439.db2.gz UYTYINKULUQPIJ-UHFFFAOYSA-N -1 0 327.424 3.874 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000262742970 605251530 /nfs/dbraw/zinc/25/15/30/605251530.db2.gz HANSPBXOTWTAGH-QFBILLFUSA-N -1 0 339.435 3.630 20 0 EHADRM Cc1cc(F)cc(NC(=O)N2CCC[C@H]([C@@H]3CCCN3C(=O)[O-])C2)c1 ZINC000830062282 605261358 /nfs/dbraw/zinc/26/13/58/605261358.db2.gz RMKZUFBWPFCQHM-BBRMVZONSA-N -1 0 349.406 3.520 20 0 EHADRM CC(C)(C)SCCNC(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833446441 605281376 /nfs/dbraw/zinc/28/13/76/605281376.db2.gz BGNUFPBFZOCNEJ-UHFFFAOYSA-N -1 0 329.397 3.569 20 0 EHADRM CC(C)N(Cc1ccco1)C(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833499369 605281498 /nfs/dbraw/zinc/28/14/98/605281498.db2.gz VROPIMBFHFIPCO-UHFFFAOYSA-N -1 0 335.335 3.951 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(NC(=O)[O-])c(F)c1)c1nccs1 ZINC000833643233 605283320 /nfs/dbraw/zinc/28/33/20/605283320.db2.gz PHSVKZSVGIXEBF-JTQLQIEISA-N -1 0 338.364 3.645 20 0 EHADRM CC(=O)Nc1ccc(NC(=O)Nc2ccc(NC(=O)[O-])c(F)c2)cc1 ZINC000833399582 605283492 /nfs/dbraw/zinc/28/34/92/605283492.db2.gz HTJYBKYQCBVKEM-UHFFFAOYSA-N -1 0 346.318 3.518 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc(NC(=O)[O-])c(F)c1)SC ZINC000833640996 605283987 /nfs/dbraw/zinc/28/39/87/605283987.db2.gz CCNAXPCHCPEIOV-UHFFFAOYSA-N -1 0 343.424 3.959 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccnc(C2CC2)c1)c1cccc(Cl)c1 ZINC000833773246 605295406 /nfs/dbraw/zinc/29/54/06/605295406.db2.gz SFVQWXUPTKBNIY-INIZCTEOSA-N -1 0 344.798 3.558 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)Nc1ncccc1Cl)C(=O)[O-] ZINC000833544821 605300932 /nfs/dbraw/zinc/30/09/32/605300932.db2.gz JWXBYULGMNNWJD-SECBINFHSA-N -1 0 336.800 3.553 20 0 EHADRM C[C@H](Oc1ccccc1Cl)C(=O)OCc1ccc(NC(=O)[O-])cc1 ZINC000833542181 605305062 /nfs/dbraw/zinc/30/50/62/605305062.db2.gz GLDQUNYERCFQQU-NSHDSACASA-N -1 0 349.770 3.941 20 0 EHADRM CC(C)CCC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000833483276 605307036 /nfs/dbraw/zinc/30/70/36/605307036.db2.gz NYQXHIBROWYHNS-ZDUSSCGKSA-N -1 0 331.334 3.774 20 0 EHADRM CC1=C(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C(F)(F)F)cc2)CCC1 ZINC000833575869 605312211 /nfs/dbraw/zinc/31/22/11/605312211.db2.gz OEDNEBKNKWPZJJ-AWEZNQCLSA-N -1 0 341.329 3.838 20 0 EHADRM C[C@H](Cc1noc([C@H]2C[C@@H]2c2cccc(Cl)c2)n1)N(C)C(=O)[O-] ZINC000825042324 605320029 /nfs/dbraw/zinc/32/00/29/605320029.db2.gz UQKAJPHOPFURDJ-WQAKAFBOSA-N -1 0 335.791 3.535 20 0 EHADRM CC[C@H]1CN(C(=O)CCC(C)(C)c2ccccc2)CC[C@@H]1NC(=O)[O-] ZINC000833849193 605339823 /nfs/dbraw/zinc/33/98/23/605339823.db2.gz QBELSGTVUMCEIL-RDJZCZTQSA-N -1 0 346.471 3.639 20 0 EHADRM C[C@H]1CCC[C@H]1C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000833607671 605350306 /nfs/dbraw/zinc/35/03/06/605350306.db2.gz FOVRMXMYNPKJKX-JGVFFNPUSA-N -1 0 344.180 3.661 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N3CC[C@@H](NC(=O)[O-])C[C@@H]3C)[nH]c2c1 ZINC000824469488 605362936 /nfs/dbraw/zinc/36/29/36/605362936.db2.gz ARVPQFNCOCJEOD-SWLSCSKDSA-N -1 0 343.427 3.552 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CC=C(C(F)(F)F)CC2)c(Cl)c1 ZINC000834257014 605366774 /nfs/dbraw/zinc/36/67/74/605366774.db2.gz QHGXLDUQQTVJCG-UHFFFAOYSA-N -1 0 348.708 3.765 20 0 EHADRM CC(C)(C)OC(=O)CCCCN1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000833434475 605382886 /nfs/dbraw/zinc/38/28/86/605382886.db2.gz WXBRKIHVBIWCQF-HNNXBMFYSA-N -1 0 333.428 3.577 20 0 EHADRM CC1(C)C[C@H](NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C(C)(C)O1 ZINC000833556295 605398452 /nfs/dbraw/zinc/39/84/52/605398452.db2.gz RGAFKXZXNFFRIS-LBPRGKRZSA-N -1 0 340.807 3.506 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)CCC(=O)c1cccc(F)c1 ZINC000834275620 605426903 /nfs/dbraw/zinc/42/69/03/605426903.db2.gz LGHZNJZTAGMEJG-UHFFFAOYSA-N -1 0 330.315 3.517 20 0 EHADRM Cc1ccc(C[C@@H](C)C(=O)NCCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000833748837 605448007 /nfs/dbraw/zinc/44/80/07/605448007.db2.gz VQBPHVBSQWVBEK-OAHLLOKOSA-N -1 0 340.423 3.622 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000008906859 605455107 /nfs/dbraw/zinc/45/51/07/605455107.db2.gz JKEBVDVOXOMEMF-UHFFFAOYSA-N -1 0 333.771 3.998 20 0 EHADRM Cc1ccc(C[C@@H](C)C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000669434118 605506072 /nfs/dbraw/zinc/50/60/72/605506072.db2.gz JUZYIHJVRDGQSJ-QAPCUYQASA-N -1 0 337.419 3.779 20 0 EHADRM O=C([O-])N1CCc2cccc(CNc3cnn(-c4ccccc4)c3)c21 ZINC000834122207 605513355 /nfs/dbraw/zinc/51/33/55/605513355.db2.gz XIBHESDDMFYHQH-UHFFFAOYSA-N -1 0 334.379 3.525 20 0 EHADRM Cc1ccc2cc(C(=O)Nc3ccccc3CN(C)C(=O)[O-])ccc2n1 ZINC000830453626 605530710 /nfs/dbraw/zinc/53/07/10/605530710.db2.gz LWVJJBLQGMCBBH-UHFFFAOYSA-N -1 0 349.390 3.905 20 0 EHADRM CCCN(C(=O)Nc1cc(F)ccc1C)C1CCN(C(=O)[O-])CC1 ZINC000826875556 605538958 /nfs/dbraw/zinc/53/89/58/605538958.db2.gz JVNBLHAMAOQFNE-UHFFFAOYSA-N -1 0 337.395 3.520 20 0 EHADRM O=C([O-])N[C@H](CC(=O)N1CCC[C@@H]1c1cccs1)c1ccccc1 ZINC000832094719 605569440 /nfs/dbraw/zinc/56/94/40/605569440.db2.gz WHSNDRXBTHORPF-HUUCEWRRSA-N -1 0 344.436 3.811 20 0 EHADRM Cc1cc(C(=O)Nc2ccnn2[C@H](C)C2CC2)ccc1NC(=O)[O-] ZINC000829969808 605577875 /nfs/dbraw/zinc/57/78/75/605577875.db2.gz CGDMFVOHFHQRPT-LLVKDONJSA-N -1 0 328.372 3.505 20 0 EHADRM Cc1cc2cc(NC(=O)C[C@H](NC(=O)[O-])c3ccccc3)ccc2[nH]1 ZINC000830144133 605581843 /nfs/dbraw/zinc/58/18/43/605581843.db2.gz SDUMCRJVRHCIBR-KRWDZBQOSA-N -1 0 337.379 3.814 20 0 EHADRM COc1ccc(C)cc1[C@H](C)NC(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000829311640 605583089 /nfs/dbraw/zinc/58/30/89/605583089.db2.gz OWIRHLPWDGYYTC-ZDUSSCGKSA-N -1 0 342.395 3.893 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@H]2Cc2ccccc2)ccc1NC(=O)[O-] ZINC000829926141 605588294 /nfs/dbraw/zinc/58/82/94/605588294.db2.gz YDARZFPNTFDHKJ-KRWDZBQOSA-N -1 0 338.407 3.932 20 0 EHADRM CCc1cccc(C)c1NC(=O)C[C@H](NC(=O)[O-])c1ccccc1 ZINC000827593412 605594820 /nfs/dbraw/zinc/59/48/20/605594820.db2.gz BVXTVBGDROSMCW-INIZCTEOSA-N -1 0 326.396 3.895 20 0 EHADRM O=C([O-])N[C@H](CC(=O)Nc1cc(F)ccc1Cl)c1ccccc1 ZINC000834128592 605604651 /nfs/dbraw/zinc/60/46/51/605604651.db2.gz MLEPULRHUCZEFF-CYBMUJFWSA-N -1 0 336.750 3.817 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(-n3cccn3)cc2)ccc1NC(=O)[O-] ZINC000829962038 605610454 /nfs/dbraw/zinc/61/04/54/605610454.db2.gz SESVCGVCRVEDNH-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM O=C([O-])N[C@H](CC(=O)Nc1cccc2ccncc21)c1ccccc1 ZINC000834129299 605619410 /nfs/dbraw/zinc/61/94/10/605619410.db2.gz OXNMKIJEKBCGFF-QGZVFWFLSA-N -1 0 335.363 3.572 20 0 EHADRM CC1(C)CCC[C@H](CC(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)C1 ZINC000833560593 605622380 /nfs/dbraw/zinc/62/23/80/605622380.db2.gz IGIBHWUCBXSUSE-CYBMUJFWSA-N -1 0 344.455 3.880 20 0 EHADRM COc1ccc(F)cc1[C@@H](C)NC(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000829413836 605625840 /nfs/dbraw/zinc/62/58/40/605625840.db2.gz DSNGXSBVKYIWLO-LLVKDONJSA-N -1 0 346.358 3.724 20 0 EHADRM Cn1c(SCc2cccc(NC(=O)[O-])c2)nnc1-c1ccccc1 ZINC000833943464 605636942 /nfs/dbraw/zinc/63/69/42/605636942.db2.gz IMFHHCHSYJSMTA-UHFFFAOYSA-N -1 0 340.408 3.864 20 0 EHADRM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000833606539 605674048 /nfs/dbraw/zinc/67/40/48/605674048.db2.gz QYNQWMOPVNIFPH-MWLCHTKSSA-N -1 0 330.306 3.580 20 0 EHADRM CCc1nc([C@@H](C)NC(=O)c2ccc(NC(=O)[O-])c(C)c2)cs1 ZINC000827627441 605684975 /nfs/dbraw/zinc/68/49/75/605684975.db2.gz RUPDSNXQMDTQLE-SNVBAGLBSA-N -1 0 333.413 3.595 20 0 EHADRM O=C([O-])N1CCCN(C(=O)CCCC(F)(F)F)c2ccccc21 ZINC000834104338 605703718 /nfs/dbraw/zinc/70/37/18/605703718.db2.gz RVIBVVZXDIJLQK-UHFFFAOYSA-N -1 0 330.306 3.640 20 0 EHADRM Cc1cc(C(=O)N(CC(F)F)c2ccccc2)ccc1NC(=O)[O-] ZINC000829914334 605707601 /nfs/dbraw/zinc/70/76/01/605707601.db2.gz GRWMMEKICGEPDI-UHFFFAOYSA-N -1 0 334.322 3.997 20 0 EHADRM Cc1cc(C(=O)N2CC[C@](C)(c3ccccc3)C2)ccc1NC(=O)[O-] ZINC000829919319 605709630 /nfs/dbraw/zinc/70/96/30/605709630.db2.gz JCQSDLRRPOZZQP-FQEVSTJZSA-N -1 0 338.407 3.889 20 0 EHADRM Cc1cc(C(=O)N2CCOc3c(Cl)cccc32)ccc1NC(=O)[O-] ZINC000829934077 605713605 /nfs/dbraw/zinc/71/36/05/605713605.db2.gz FIOQZUDHUZZVJK-UHFFFAOYSA-N -1 0 346.770 3.778 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CC[C@H](NC(=O)[O-])C[C@H]2C)cc1 ZINC000824465095 605728457 /nfs/dbraw/zinc/72/84/57/605728457.db2.gz ZARLQUNGAZNHTI-QCSYZSNVSA-N -1 0 344.455 3.561 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CC[C@@H](NC(=O)[O-])C[C@@H]2C)cc1 ZINC000824465091 605728677 /nfs/dbraw/zinc/72/86/77/605728677.db2.gz ZARLQUNGAZNHTI-NBMRYCAZSA-N -1 0 344.455 3.561 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N2CCCC[C@@H]2c2ccco2)c1 ZINC000834265708 605770228 /nfs/dbraw/zinc/77/02/28/605770228.db2.gz QETAQSPCOHUKRE-OAHLLOKOSA-N -1 0 328.368 3.666 20 0 EHADRM CC(C)N1CCC[C@H](SCc2cc(C(=O)[O-])ccc2Cl)C1=O ZINC000833498073 605788142 /nfs/dbraw/zinc/78/81/42/605788142.db2.gz CGMYUWDAMCXVAT-AWEZNQCLSA-N -1 0 341.860 3.671 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC000833385075 605803639 /nfs/dbraw/zinc/80/36/39/605803639.db2.gz FXPNCSSDTHHCRR-DHZHZOJOSA-N -1 0 332.302 3.601 20 0 EHADRM O=C([O-])N[C@H]1C[C@@H](Nc2ccc3c(c2)OCCCO3)c2ccccc21 ZINC000834158105 605808194 /nfs/dbraw/zinc/80/81/94/605808194.db2.gz MJLXEFBUJIBZIL-CVEARBPZSA-N -1 0 340.379 3.714 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N[C@H](C2CCCC2)C(F)(F)F)c1 ZINC000834266141 605813442 /nfs/dbraw/zinc/81/34/42/605813442.db2.gz VOVNEVQJXYRBBW-CQSZACIVSA-N -1 0 344.333 3.556 20 0 EHADRM CC(C)Oc1cccnc1C(=O)OCc1cc(C(=O)[O-])ccc1Cl ZINC000833507760 605817824 /nfs/dbraw/zinc/81/78/24/605817824.db2.gz GYKGDTMZEIHNMP-UHFFFAOYSA-N -1 0 349.770 3.577 20 0 EHADRM CCC(CC)n1nc(C(=O)OCc2cc(C(=O)[O-])ccc2F)cc1C ZINC000833641796 605820738 /nfs/dbraw/zinc/82/07/38/605820738.db2.gz PBDPCYARZSCQRT-UHFFFAOYSA-N -1 0 348.374 3.747 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN(Cc1ccco1)Cc1cccnc1 ZINC000833677728 605843722 /nfs/dbraw/zinc/84/37/22/605843722.db2.gz DXQKPEOYTMBUND-UHFFFAOYSA-N -1 0 340.379 3.731 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)CCc2ccc(F)cc2F)c1 ZINC000834261035 605863907 /nfs/dbraw/zinc/86/39/07/605863907.db2.gz GWXVJFKCIJQDEW-UHFFFAOYSA-N -1 0 338.285 3.765 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)N(C1CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000823858999 605875710 /nfs/dbraw/zinc/87/57/10/605875710.db2.gz HDXIMRANHQDFQB-AWEZNQCLSA-N -1 0 345.443 3.733 20 0 EHADRM CS[C@H]1CCCCN(C(=O)Nc2cc(NC(=O)[O-])ccc2F)C1 ZINC000829716853 605891350 /nfs/dbraw/zinc/89/13/50/605891350.db2.gz PXCUMQZDUDQABI-NSHDSACASA-N -1 0 341.408 3.665 20 0 EHADRM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc2ccccc2c1 ZINC000834096085 605969946 /nfs/dbraw/zinc/96/99/46/605969946.db2.gz HHUVSNFWRKITBK-SJORKVTESA-N -1 0 339.395 3.588 20 0 EHADRM Cc1noc(C)c1CN[C@@H](CNC(=O)[O-])c1ccc2ccccc2c1 ZINC000833931862 605973724 /nfs/dbraw/zinc/97/37/24/605973724.db2.gz HCXXLKMXKMIBJL-SFHVURJKSA-N -1 0 339.395 3.543 20 0 EHADRM O=C([O-])Nc1cccc(COc2ccc3c(c2)CCCC(=O)N3)c1 ZINC000834269785 605993979 /nfs/dbraw/zinc/99/39/79/605993979.db2.gz QTHOPDWWMHJEKG-UHFFFAOYSA-N -1 0 326.352 3.630 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)c1cc(-c2ccccc2)on1 ZINC000833906273 606006073 /nfs/dbraw/zinc/00/60/73/606006073.db2.gz MUTHAVJYZQWWBD-UHFFFAOYSA-N -1 0 337.335 3.992 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCCc1cccc(F)c1F ZINC000833907017 606012930 /nfs/dbraw/zinc/01/29/30/606012930.db2.gz VYRXCUOIFJMWTA-UHFFFAOYSA-N -1 0 349.337 3.727 20 0 EHADRM Cc1ccc([C@H](NC(=O)Cc2ccccc2NC(=O)[O-])C2CC2)cc1 ZINC000833904746 606044372 /nfs/dbraw/zinc/04/43/72/606044372.db2.gz LBRJJSCLTQTIGZ-IBGZPJMESA-N -1 0 338.407 3.895 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N1CCC[C@H]1c1ccsc1 ZINC000834271620 606048821 /nfs/dbraw/zinc/04/88/21/606048821.db2.gz VZXXPNSVBHOVRY-HNNXBMFYSA-N -1 0 330.409 3.744 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N(CC1CCCCC1)C1CC1 ZINC000834271293 606049762 /nfs/dbraw/zinc/04/97/62/606049762.db2.gz RVOYEKRYOAUVCQ-UHFFFAOYSA-N -1 0 330.428 3.890 20 0 EHADRM Cc1cc(C(=O)Nc2cc(NC(=O)[O-])ccc2C)nn1[C@H](C)C1CC1 ZINC000833906680 606099470 /nfs/dbraw/zinc/09/94/70/606099470.db2.gz XBQUNEKRKKGSDS-GFCCVEGCSA-N -1 0 342.399 3.813 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2ccc(Cl)c(Cl)c2)CCCCC1 ZINC000021795272 939031175 /nfs/dbraw/zinc/03/11/75/939031175.db2.gz DFAFLPYHKMTPNK-UHFFFAOYSA-N -1 0 331.199 3.902 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc(Cl)s1)c1ccc(Cl)c(F)c1 ZINC000181894563 939033756 /nfs/dbraw/zinc/03/37/56/939033756.db2.gz NTXQRINMLIMHLN-LLVKDONJSA-N -1 0 348.182 3.750 20 0 EHADRM Cc1ccsc1C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000191478967 939037242 /nfs/dbraw/zinc/03/72/42/939037242.db2.gz FWJNAWXGAWFMRF-OAHLLOKOSA-N -1 0 325.389 3.765 20 0 EHADRM Cc1nc2cc(F)ccc2cc1C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000237746771 939049185 /nfs/dbraw/zinc/04/91/85/939049185.db2.gz WGVVKGCSGUAFHO-UHFFFAOYSA-N -1 0 344.386 3.590 20 0 EHADRM O=C([O-])C1(NC(=O)c2ccc(Oc3ccccc3)cc2)CCCC1 ZINC000237977212 939052934 /nfs/dbraw/zinc/05/29/34/939052934.db2.gz CWOPPDGELWZLNR-UHFFFAOYSA-N -1 0 325.364 3.606 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CCSc1ccc(Cl)cc1)c1ccccc1 ZINC000237989710 939053407 /nfs/dbraw/zinc/05/34/07/939053407.db2.gz ITBZXAAEJABPRB-INIZCTEOSA-N -1 0 349.839 3.764 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21)c1ccccc1 ZINC000238002544 939054152 /nfs/dbraw/zinc/05/41/52/939054152.db2.gz REDMFYXIKZKPGR-AQNXPRMDSA-N -1 0 345.398 3.885 20 0 EHADRM Cc1oc(-c2ccccc2)nc1C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000262187973 939061723 /nfs/dbraw/zinc/06/17/23/939061723.db2.gz HPDNKYZYNMDBAK-UHFFFAOYSA-N -1 0 342.395 3.557 20 0 EHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000761595465 939067717 /nfs/dbraw/zinc/06/77/17/939067717.db2.gz RWSMJWYUEZCNAN-SYGIOELKSA-N -1 0 343.810 3.860 20 0 EHADRM O=C([O-])[C@@H](NC(=O)C=C1CCCCC1)c1ccc(Cl)c(F)c1 ZINC000776688464 939105621 /nfs/dbraw/zinc/10/56/21/939105621.db2.gz OUTHPLLOGWOOAL-HNNXBMFYSA-N -1 0 325.767 3.612 20 0 EHADRM Cc1cc(N2CCCC2)ccc1NC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000780344801 939107446 /nfs/dbraw/zinc/10/74/46/939107446.db2.gz VHOBDIARZSITQD-UHFFFAOYSA-N -1 0 345.443 3.504 20 0 EHADRM CC(C)c1cccc(NC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000324593740 939126308 /nfs/dbraw/zinc/12/63/08/939126308.db2.gz FRRKMHZBYDQYAE-LJQANCHMSA-N -1 0 326.396 3.932 20 0 EHADRM C[C@H](NC(=O)N[C@](C)(C(=O)[O-])C1CC1)c1csc2ccccc21 ZINC000780564932 939133379 /nfs/dbraw/zinc/13/33/79/939133379.db2.gz GLRIPEUUEQVUKP-BTDLBPIBSA-N -1 0 332.425 3.515 20 0 EHADRM Cc1ccc(C)n1C1CCN(C(=O)c2cc(C)cc(C(=O)[O-])c2)CC1 ZINC001600109825 970767300 /nfs/dbraw/zinc/76/73/00/970767300.db2.gz IIIXHYKNOJJONN-UHFFFAOYSA-N -1 0 340.423 3.589 20 0 EHADRM COc1ccc([C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C(=O)[O-])cc1 ZINC000431769727 939153411 /nfs/dbraw/zinc/15/34/11/939153411.db2.gz IXLCPSYBMKMBEG-ZDRJDWQYSA-N -1 0 345.439 3.544 20 0 EHADRM CC[C@](NC(=O)CSC(C)(C)C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000795547369 939157847 /nfs/dbraw/zinc/15/78/47/939157847.db2.gz SJLZFQAVOYAFAN-MRXNPFEDSA-N -1 0 343.876 3.678 20 0 EHADRM Cc1ccc(CNC(=O)N[C@@H](C(=O)[O-])c2cccc3ccccc32)cc1 ZINC000797701964 939158707 /nfs/dbraw/zinc/15/87/07/939158707.db2.gz MMXLIISKDHGVSZ-LJQANCHMSA-N -1 0 348.402 3.773 20 0 EHADRM Cc1ccc([C@H](NC(=O)NC[C@H](C)c2ccccc2)C(=O)[O-])cc1C ZINC000797704544 939161224 /nfs/dbraw/zinc/16/12/24/939161224.db2.gz YCVGAQLWLKDYTB-YJBOKZPZSA-N -1 0 340.423 3.532 20 0 EHADRM CC(C)Sc1ccc(C(=O)N[C@H](C(=O)[O-])c2cccs2)cc1 ZINC000448992824 939205652 /nfs/dbraw/zinc/20/56/52/939205652.db2.gz MGIZQTKEGLOFMN-AWEZNQCLSA-N -1 0 335.450 3.804 20 0 EHADRM C[C@@H](CCC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F)c1ccccc1 ZINC000828080874 939220116 /nfs/dbraw/zinc/22/01/16/939220116.db2.gz JJVSCIGJBFHDPU-KPZWWZAWSA-N -1 0 347.361 3.791 20 0 EHADRM CC/C=C(\C)C(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000836750260 939224180 /nfs/dbraw/zinc/22/41/80/939224180.db2.gz IJCFZOCNLHTYBL-FUVBFXSKSA-N -1 0 330.211 3.766 20 0 EHADRM CCc1sc(C(=O)N[C@](CC)(C(=O)[O-])c2ccccc2)cc1C ZINC000485370105 939227238 /nfs/dbraw/zinc/22/72/38/939227238.db2.gz AJNGUJRKEORMCB-SFHVURJKSA-N -1 0 331.437 3.739 20 0 EHADRM CC[C@@](NC(=O)Cc1ccc2ccccc2c1)(C(=O)[O-])c1ccccc1 ZINC000485378627 939229057 /nfs/dbraw/zinc/22/90/57/939229057.db2.gz YRAFBFHRPGDINB-QFIPXVFZSA-N -1 0 347.414 3.889 20 0 EHADRM CC[C@](NC(=O)c1cccc(F)c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507298104 939232372 /nfs/dbraw/zinc/23/23/72/939232372.db2.gz ICEDZJHJYHGZEQ-QGZVFWFLSA-N -1 0 335.762 3.599 20 0 EHADRM CC[C@](NC(=O)c1ccc(F)cc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507311969 939234188 /nfs/dbraw/zinc/23/41/88/939234188.db2.gz PXMOLJRRKYBXNF-QGZVFWFLSA-N -1 0 335.762 3.599 20 0 EHADRM CC[C@@](NC(=O)c1ccc(C)s1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507315176 939234849 /nfs/dbraw/zinc/23/48/49/939234849.db2.gz CICODNITWULMIC-INIZCTEOSA-N -1 0 337.828 3.830 20 0 EHADRM Cc1ccc(COc2cccc(NC(=O)[C@@H](C(=O)[O-])C3CC3)c2)cc1 ZINC000852946774 939239006 /nfs/dbraw/zinc/23/90/06/939239006.db2.gz CPJVAQOSUCUMAX-SFHVURJKSA-N -1 0 339.391 3.623 20 0 EHADRM CCc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(C)c(C)c2)c1 ZINC000518294342 939249542 /nfs/dbraw/zinc/24/95/42/939249542.db2.gz BYADWMIIAFXHLZ-KRWDZBQOSA-N -1 0 326.396 3.813 20 0 EHADRM CC(C)COc1cccc(NC(=O)N[C@H](C(=O)[O-])c2cccs2)c1 ZINC000519817394 939253546 /nfs/dbraw/zinc/25/35/46/939253546.db2.gz IEBBKINEBRKUAT-HNNXBMFYSA-N -1 0 348.424 3.730 20 0 EHADRM CC[C@@H](C)c1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccccn2)c1 ZINC000864582705 939258999 /nfs/dbraw/zinc/25/89/99/939258999.db2.gz DMIRXKKXOQVKGI-MLGOLLRUSA-N -1 0 327.384 3.543 20 0 EHADRM C[C@](NC(=O)Nc1ccc2nc(C3CC3)sc2c1)(C(=O)[O-])C1CC1 ZINC000561533735 939319417 /nfs/dbraw/zinc/31/94/17/939319417.db2.gz GYRJIQJPXPGISQ-QGZVFWFLSA-N -1 0 345.424 3.549 20 0 EHADRM Cc1cc(C)cc([C@H](NC(=O)Nc2cccc(C)c2C)C(=O)[O-])c1 ZINC000564155162 939343322 /nfs/dbraw/zinc/34/33/22/939343322.db2.gz LCWVJPXVABKJAE-KRWDZBQOSA-N -1 0 326.396 3.868 20 0 EHADRM CC1(CNC(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CCC1 ZINC000570268599 939382413 /nfs/dbraw/zinc/38/24/13/939382413.db2.gz DGXFLBBJKGUFSZ-GFCCVEGCSA-N -1 0 345.226 3.609 20 0 EHADRM CCC(=O)c1cccc(NC(=O)NC2(C(=O)[O-])CCCCCC2)c1 ZINC000574910269 939730516 /nfs/dbraw/zinc/73/05/16/939730516.db2.gz KIVYTLAVVJGLAG-UHFFFAOYSA-N -1 0 332.400 3.578 20 0 EHADRM Cc1cccc([C@H](NC(=O)Nc2ccc(F)c(F)c2)C(=O)[O-])c1C ZINC000575435033 939733460 /nfs/dbraw/zinc/73/34/60/939733460.db2.gz KPJNJBXWLQBFIK-HNNXBMFYSA-N -1 0 334.322 3.529 20 0 EHADRM CC[C@H](NC(=O)N[C@@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000578542375 939755141 /nfs/dbraw/zinc/75/51/41/939755141.db2.gz YKAAVWZKSVUDLD-JKSUJKDBSA-N -1 0 348.349 3.541 20 0 EHADRM O=C([O-])[C@H](NC(=O)C[C@H]1CCCc2ccccc21)c1ccsc1 ZINC000581381615 939777493 /nfs/dbraw/zinc/77/74/93/939777493.db2.gz PHIWDFMZGJDAJT-CXAGYDPISA-N -1 0 329.421 3.500 20 0 EHADRM O=C([O-])[C@@H](NC(=O)NCCc1ccc2ccccc2c1)c1ccccc1 ZINC000581447886 939777981 /nfs/dbraw/zinc/77/79/81/939777981.db2.gz GHVDMVNDGFNKHQ-IBGZPJMESA-N -1 0 348.402 3.507 20 0 EHADRM CCc1ccc(CNC(=O)N[C@H](C(=O)[O-])c2cccc(C)c2C)s1 ZINC000584832568 939799976 /nfs/dbraw/zinc/79/99/76/939799976.db2.gz NVFXZIXEWOUQCJ-INIZCTEOSA-N -1 0 346.452 3.552 20 0 EHADRM C[C@H](CC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1)c1ccco1 ZINC000630149181 939812792 /nfs/dbraw/zinc/81/27/92/939812792.db2.gz FSNUMMGPTWICGK-PSLIRLAXSA-N -1 0 339.750 3.508 20 0 EHADRM C[C@@H](CC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1)c1ccco1 ZINC000630149188 939812836 /nfs/dbraw/zinc/81/28/36/939812836.db2.gz FSNUMMGPTWICGK-VFZGTOFNSA-N -1 0 339.750 3.508 20 0 EHADRM CCC[C@@H](C(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1)c1ccccn1 ZINC000630247926 939820282 /nfs/dbraw/zinc/82/02/82/939820282.db2.gz LQOARRGHGFCEKC-AUUYWEPGSA-N -1 0 332.444 3.505 20 0 EHADRM CCOCc1cccc(NC(=O)N[C@@H](C(=O)[O-])C2CCCCCC2)c1 ZINC000653487540 939836245 /nfs/dbraw/zinc/83/62/45/939836245.db2.gz AFMFPSBPUVGOHV-QGZVFWFLSA-N -1 0 348.443 3.768 20 0 EHADRM CSc1ccc(-c2csc(NC(=O)[C@@H](C(=O)[O-])C3CC3)n2)cc1 ZINC000656850125 939847275 /nfs/dbraw/zinc/84/72/75/939847275.db2.gz YQFNLVSXDOFEEL-ZDUSSCGKSA-N -1 0 348.449 3.581 20 0 EHADRM Cc1cc([C@@H](NC(=O)c2ccc(C3CC3)cc2)C(=O)[O-])ccc1F ZINC000659157167 939848186 /nfs/dbraw/zinc/84/81/86/939848186.db2.gz OEDRYKAGSUSSJC-QGZVFWFLSA-N -1 0 327.355 3.567 20 0 EHADRM CC(C)(C)CCC(=O)N[C@@H](C(=O)[O-])c1ccccc1Br ZINC000659192926 939850393 /nfs/dbraw/zinc/85/03/93/939850393.db2.gz YBDOTVDCAIKZAD-CYBMUJFWSA-N -1 0 342.233 3.517 20 0 EHADRM Cc1cccc(COc2cccc(NC(=O)[C@@H](C(=O)[O-])C3CC3)c2)c1 ZINC000663078100 939852920 /nfs/dbraw/zinc/85/29/20/939852920.db2.gz BLMMSNUUHSTAKA-SFHVURJKSA-N -1 0 339.391 3.623 20 0 EHADRM CC[C@](NC(=O)C[C@H](C)n1cccc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000671667449 939863481 /nfs/dbraw/zinc/86/34/81/939863481.db2.gz GCWWCPWTZXNXGJ-SCLBCKFNSA-N -1 0 348.830 3.599 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1F ZINC000683922936 939871255 /nfs/dbraw/zinc/87/12/55/939871255.db2.gz YZTMPLDQXSYJDT-CYBMUJFWSA-N -1 0 340.713 3.566 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2C)cc1 ZINC000684717930 939871953 /nfs/dbraw/zinc/87/19/53/939871953.db2.gz KBBHUMWNNQSWCX-MAUKXSAKSA-N -1 0 340.423 3.798 20 0 EHADRM Cc1ccc2c(c1)CCN(C(=O)Nc1cccc(CCC(=O)[O-])c1)C2 ZINC001600496727 970817193 /nfs/dbraw/zinc/81/71/93/970817193.db2.gz SSALEUAMMNDXBA-UHFFFAOYSA-N -1 0 338.407 3.602 20 0 EHADRM C[C@@H]1CCC[C@@H](NC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CC1 ZINC000321932919 970827354 /nfs/dbraw/zinc/82/73/54/970827354.db2.gz BBXOJBGSMVNQTM-NXEZZACHSA-N -1 0 326.343 3.753 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2ccccc2OC(F)F)CCCC1 ZINC000322134840 970851003 /nfs/dbraw/zinc/85/10/03/970851003.db2.gz UZDBATAOWZXWCV-UHFFFAOYSA-N -1 0 327.327 3.652 20 0 EHADRM C[C@H](NC(=O)CC1(CC(=O)[O-])CCCC1)c1ccc(F)cc1F ZINC000322086078 970845877 /nfs/dbraw/zinc/84/58/77/970845877.db2.gz IPOZJWSUFCXAEQ-NSHDSACASA-N -1 0 325.355 3.567 20 0 EHADRM Cc1ccc(S(=O)(=O)NCCCCCCC(C)C)cc1C(=O)[O-] ZINC000322855962 970935958 /nfs/dbraw/zinc/93/59/58/970935958.db2.gz YLUCTEACRZTXFG-UHFFFAOYSA-N -1 0 341.473 3.578 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)Cc2c(F)cccc2Cl)c1 ZINC000322901233 970941621 /nfs/dbraw/zinc/94/16/21/970941621.db2.gz HINQPQKHGHQNTN-UHFFFAOYSA-N -1 0 335.762 3.678 20 0 EHADRM O=C(/C=C\c1ccc(C(=O)[O-])o1)NCc1ccc2sccc2c1 ZINC001601236627 970961490 /nfs/dbraw/zinc/96/14/90/970961490.db2.gz UBHPAISERQQYGV-UTCJRWHESA-N -1 0 327.361 3.522 20 0 EHADRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NCc1ccc(F)cc1F ZINC000323340536 970992300 /nfs/dbraw/zinc/99/23/00/970992300.db2.gz XCPKWTHEXLPRDK-UHFFFAOYSA-N -1 0 342.685 3.837 20 0 EHADRM CC(C)c1nn(C)cc1NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000323902393 971054685 /nfs/dbraw/zinc/05/46/85/971054685.db2.gz KCWRUCROSHPXAL-UHFFFAOYSA-N -1 0 336.779 3.539 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000323901499 971055176 /nfs/dbraw/zinc/05/51/76/971055176.db2.gz JVXKMZLYBXCVJY-YCABEKBOSA-N -1 0 335.831 3.893 20 0 EHADRM COc1cc(Cl)ccc1-c1noc([C@@H]2CCC[C@H](C(=O)[O-])C2)n1 ZINC000323929635 971060610 /nfs/dbraw/zinc/06/06/10/971060610.db2.gz POEFUWBNDYDESJ-ZJUUUORDSA-N -1 0 336.775 3.757 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)CCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000324109890 971084975 /nfs/dbraw/zinc/08/49/75/971084975.db2.gz NIFIZKPVIQNZTG-IAQYHMDHSA-N -1 0 327.380 3.981 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)CCCCCc2ccc(O)cc2)C1 ZINC001601975670 971096698 /nfs/dbraw/zinc/09/66/98/971096698.db2.gz POQGUKSMMYDERW-QGZVFWFLSA-N -1 0 347.455 3.599 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2CCc3ccccc3C2)cc1Cl ZINC000324482796 971124665 /nfs/dbraw/zinc/12/46/65/971124665.db2.gz GQRAYRAHFCIADX-ZDUSSCGKSA-N -1 0 329.783 3.782 20 0 EHADRM CCC[C@H](NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)C1CCC1 ZINC000324615728 971139517 /nfs/dbraw/zinc/13/95/17/971139517.db2.gz YSTGJGFNPKPPBZ-ZDUSSCGKSA-N -1 0 326.343 3.753 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@@H](C)CCc1ccccc1 ZINC000324670198 971145491 /nfs/dbraw/zinc/14/54/91/971145491.db2.gz GOATUGXGACTELS-AWEZNQCLSA-N -1 0 326.396 3.836 20 0 EHADRM Cc1cccc(OCCNC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000324675744 971146629 /nfs/dbraw/zinc/14/66/29/971146629.db2.gz IILNZDNAPLIXCB-UHFFFAOYSA-N -1 0 348.786 3.547 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OCc1noc(-c2ccc(Cl)cc2)n1 ZINC000324738329 971152944 /nfs/dbraw/zinc/15/29/44/971152944.db2.gz LHWIJXROULLRFI-UHFFFAOYSA-N -1 0 344.754 3.976 20 0 EHADRM CCc1cccc(C)c1NC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000324793361 971157282 /nfs/dbraw/zinc/15/72/82/971157282.db2.gz NHERYERFCHRERC-UHFFFAOYSA-N -1 0 326.396 3.620 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2coc(-c3c(F)cccc3F)n2)c1 ZINC001602445902 971201354 /nfs/dbraw/zinc/20/13/54/971201354.db2.gz ZJNIPRSLCZXJMC-UHFFFAOYSA-N -1 0 344.273 3.570 20 0 EHADRM Cc1ccccc1N(CCC(=O)[O-])C(=O)c1ccc(F)c(F)c1F ZINC000325291814 971202795 /nfs/dbraw/zinc/20/27/95/971202795.db2.gz LHRSMCSHDHOJCN-UHFFFAOYSA-N -1 0 337.297 3.534 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)c1 ZINC001602483047 971210453 /nfs/dbraw/zinc/21/04/53/971210453.db2.gz ZJYFWHISPDVUSF-UHFFFAOYSA-N -1 0 349.346 3.565 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC000325386996 971211216 /nfs/dbraw/zinc/21/12/16/971211216.db2.gz OUYPHYGPECUXDU-AWEZNQCLSA-N -1 0 326.396 3.895 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)N(C)Cc2ccc(Cl)cc2)c1 ZINC000325416509 971213299 /nfs/dbraw/zinc/21/32/99/971213299.db2.gz VONOHMOKFANBSD-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM O=C([O-])[C@@H]1CCN(Cc2cn3cc(Cl)ccc3n2)c2ccccc21 ZINC000325533849 971223452 /nfs/dbraw/zinc/22/34/52/971223452.db2.gz RYTZQJUKEBSQRC-OAHLLOKOSA-N -1 0 341.798 3.566 20 0 EHADRM CCOc1ccccc1NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000325621281 971231594 /nfs/dbraw/zinc/23/15/94/971231594.db2.gz RTPBFPPCSLBCJB-UHFFFAOYSA-N -1 0 336.294 3.706 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000326180678 971273157 /nfs/dbraw/zinc/27/31/57/971273157.db2.gz LYPIYEKPFBBEFR-CHWSQXEVSA-N -1 0 341.329 3.643 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)C1CCC(C(F)(F)F)CC1 ZINC000326193214 971274481 /nfs/dbraw/zinc/27/44/81/971274481.db2.gz BCIQHDQPSJENSL-JXQTWKCFSA-N -1 0 349.393 3.895 20 0 EHADRM Cc1ccc(Cl)c(NC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)c1 ZINC000326245806 971276269 /nfs/dbraw/zinc/27/62/69/971276269.db2.gz YRWKSOMZYACEJH-UHFFFAOYSA-N -1 0 344.798 3.937 20 0 EHADRM Cc1cccc(NC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)c1Cl ZINC000326343206 971284737 /nfs/dbraw/zinc/28/47/37/971284737.db2.gz SJMCJXCJUKELRV-UHFFFAOYSA-N -1 0 344.798 3.937 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1cccc(OC(F)(F)F)c1 ZINC000326379941 971287478 /nfs/dbraw/zinc/28/74/78/971287478.db2.gz HEJYHNSTKZXYHQ-UHFFFAOYSA-N -1 0 339.269 3.844 20 0 EHADRM CN(C(=O)c1ccc(F)c(C(F)(F)F)c1)C1(C(=O)[O-])CCCCC1 ZINC000326566656 971303851 /nfs/dbraw/zinc/30/38/51/971303851.db2.gz UPBDILMIRUQVRK-UHFFFAOYSA-N -1 0 347.308 3.704 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)N2CCC[C@H]2C2CCCC2)c1F ZINC000326736332 971322417 /nfs/dbraw/zinc/32/24/17/971322417.db2.gz HEINXJLDYDVGOA-ZDUSSCGKSA-N -1 0 338.354 3.850 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)NCC2CCC(C)(C)CC2)C1 ZINC000326733230 971322531 /nfs/dbraw/zinc/32/25/31/971322531.db2.gz FAEWYGPRWZWRSJ-HNNXBMFYSA-N -1 0 338.492 3.735 20 0 EHADRM C[C@H](CCNC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000326891949 971340928 /nfs/dbraw/zinc/34/09/28/971340928.db2.gz GMJLEMBNTSHVDO-LLVKDONJSA-N -1 0 348.349 3.978 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2cccc(CCC(=O)[O-])c2)o1 ZINC000326948426 971348725 /nfs/dbraw/zinc/34/87/25/971348725.db2.gz IZTPNVJUSMDESM-SUMWQHHRSA-N -1 0 341.407 3.992 20 0 EHADRM CCCCCC(C)(C)CNC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000327147303 971371749 /nfs/dbraw/zinc/37/17/49/971371749.db2.gz DUMHDTDRGHGFIR-QGZVFWFLSA-N -1 0 346.471 3.987 20 0 EHADRM COc1cccc([C@@H]2CCCN2C(=O)CC2(CC(=O)[O-])CCCC2)c1 ZINC000327371963 971393505 /nfs/dbraw/zinc/39/35/05/971393505.db2.gz LXIUZVLKBMYQSI-KRWDZBQOSA-N -1 0 345.439 3.784 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc(F)c3ccccc23)c2ccccc21 ZINC000327646610 971415249 /nfs/dbraw/zinc/41/52/49/971415249.db2.gz UNUARTFNZYXVBA-MRXNPFEDSA-N -1 0 335.334 3.808 20 0 EHADRM Cc1ccc(OCCC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)cc1C ZINC000327753794 971423095 /nfs/dbraw/zinc/42/30/95/971423095.db2.gz NDMJMNBCRCWPDM-UHFFFAOYSA-N -1 0 349.333 3.687 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)N2CC[C@H](c3ccccc3)C2)c1F ZINC000327857382 971429891 /nfs/dbraw/zinc/42/98/91/971429891.db2.gz SYDDOJUQBVCBDN-LBPRGKRZSA-N -1 0 346.333 3.684 20 0 EHADRM CC(C)COc1ccc(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])cc1 ZINC000327969621 971438097 /nfs/dbraw/zinc/43/80/97/971438097.db2.gz XIEFXAITBMFEOH-GOSISDBHSA-N -1 0 347.455 3.875 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000013091853 948775210 /nfs/dbraw/zinc/77/52/10/948775210.db2.gz PWHNDDVEDIGGIN-UHFFFAOYSA-N -1 0 338.190 3.551 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC001589562086 948828824 /nfs/dbraw/zinc/82/88/24/948828824.db2.gz PFKCETCCLAIHOS-QAPCUYQASA-N -1 0 325.408 3.506 20 0 EHADRM CC[C@H](NC(=O)C1(C(=O)[O-])CCCCCC1)c1ccccc1OC ZINC001589564191 948839721 /nfs/dbraw/zinc/83/97/21/948839721.db2.gz GMPMRSUBQOPNSD-HNNXBMFYSA-N -1 0 333.428 3.688 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)CCCSc1ccc(Cl)cc1)C(=O)[O-] ZINC000336851616 971515628 /nfs/dbraw/zinc/51/56/28/971515628.db2.gz XGLKFOQGTWCTRP-ABAIWWIYSA-N -1 0 343.876 3.828 20 0 EHADRM O=C([O-])CCCCC(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000342547351 971518637 /nfs/dbraw/zinc/51/86/37/971518637.db2.gz ODAZUABEZCFHEA-LBPRGKRZSA-N -1 0 330.211 3.742 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2cc(Cl)cc3cccnc32)cc1 ZINC000347730859 971526645 /nfs/dbraw/zinc/52/66/45/971526645.db2.gz IFNNUEDMFYBWPV-UHFFFAOYSA-N -1 0 340.766 3.768 20 0 EHADRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)CCCc1ccccc1 ZINC000348108527 971527478 /nfs/dbraw/zinc/52/74/78/971527478.db2.gz SXQHOTNPJWDTNR-UHFFFAOYSA-N -1 0 345.826 3.776 20 0 EHADRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1 ZINC000347985670 971527633 /nfs/dbraw/zinc/52/76/33/971527633.db2.gz AMHXBIXOBRJIGH-UHFFFAOYSA-N -1 0 338.190 3.720 20 0 EHADRM CCN(C(=O)c1ccc(C(=O)[O-])cc1F)[C@H](C)c1ccc(F)cc1 ZINC000358597962 971531009 /nfs/dbraw/zinc/53/10/09/971531009.db2.gz XQTDNWMVFGKSES-LLVKDONJSA-N -1 0 333.334 3.886 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001589584666 949031959 /nfs/dbraw/zinc/03/19/59/949031959.db2.gz LGAYMVHOJGEZRH-CVEARBPZSA-N -1 0 347.411 3.639 20 0 EHADRM COc1cc(CNc2ccc(F)c(C(=O)[O-])c2)ccc1OC(F)F ZINC000362349337 971534569 /nfs/dbraw/zinc/53/45/69/971534569.db2.gz URURYPSNOSMEOP-UHFFFAOYSA-N -1 0 341.285 3.746 20 0 EHADRM CCCC[C@@H](CC)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000347437456 971525952 /nfs/dbraw/zinc/52/59/52/971525952.db2.gz YBWBMUUICFANEZ-KDOFPFPSSA-N -1 0 344.455 3.886 20 0 EHADRM O=C([O-])c1coc(C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)c1 ZINC000369703485 971552881 /nfs/dbraw/zinc/55/28/81/971552881.db2.gz BGTZPTRDWZVZJF-UHFFFAOYSA-N -1 0 331.755 3.561 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2ccc(COC(C)C)cc2)C1 ZINC001589597094 949164292 /nfs/dbraw/zinc/16/42/92/949164292.db2.gz AQBZIKORGGUZEM-LJQANCHMSA-N -1 0 348.443 3.720 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(-c3cccs3)o2)C1 ZINC001589603182 949205415 /nfs/dbraw/zinc/20/54/15/949205415.db2.gz IILFGUJEDXLTDV-QGZVFWFLSA-N -1 0 333.409 3.725 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N2CCC[C@@H]2c2ccc(F)cc2F)o1 ZINC001595226087 949295474 /nfs/dbraw/zinc/29/54/74/949295474.db2.gz UKMIZLOMEDFHMO-SBJJXXPASA-N -1 0 347.317 3.633 20 0 EHADRM O=C([O-])c1ccc(CN2CCN(C3CC3)c3cc(F)ccc32)cc1 ZINC001595227394 949316129 /nfs/dbraw/zinc/31/61/29/949316129.db2.gz CJBTZCZWSHUDDJ-UHFFFAOYSA-N -1 0 326.371 3.513 20 0 EHADRM CC[C@@H]1CCCC[C@H]1N(C)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589621245 949413808 /nfs/dbraw/zinc/41/38/08/949413808.db2.gz HVDZVNTZYZZGMY-ZVDSWSACSA-N -1 0 338.492 3.732 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(Cn3cccc3)cc2)c(F)c1 ZINC001595236937 949416445 /nfs/dbraw/zinc/41/64/45/949416445.db2.gz MKSMGXZELPNAPE-UHFFFAOYSA-N -1 0 338.338 3.626 20 0 EHADRM CC[C@H]1CCc2c(sc(NC(=O)c3nocc3C)c2C(=O)[O-])C1 ZINC001589624501 949458462 /nfs/dbraw/zinc/45/84/62/949458462.db2.gz IGSTTZQUFWTEOW-VIFPVBQESA-N -1 0 334.397 3.510 20 0 EHADRM O=C([O-])c1cccc(CN[C@H](CO)c2cccc(Cl)c2Cl)c1 ZINC001595244338 949494926 /nfs/dbraw/zinc/49/49/26/949494926.db2.gz ASKCULASPXWDTN-CQSZACIVSA-N -1 0 340.206 3.515 20 0 EHADRM O=C([O-])c1cccc(N2CCC[C@H]2c2nc3ccccc3s2)n1 ZINC001595248843 949531445 /nfs/dbraw/zinc/53/14/45/949531445.db2.gz MWLPNZBWKVETSC-ZDUSSCGKSA-N -1 0 325.393 3.731 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N2CC[C@@H](c3c(F)cccc3F)C2)c1 ZINC001595249862 949544710 /nfs/dbraw/zinc/54/47/10/949544710.db2.gz QQWWPSJOSIMULW-GFCCVEGCSA-N -1 0 346.333 3.684 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)c1cc(C2CC2)oc1C1CC1 ZINC001595255930 949610027 /nfs/dbraw/zinc/61/00/27/949610027.db2.gz IYZLGOCHMXPCPA-UHFFFAOYSA-N -1 0 325.364 3.663 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1Cc1c(F)ccc(Br)c1F ZINC000230318467 949679797 /nfs/dbraw/zinc/67/97/97/949679797.db2.gz UQQMVMMNMDJBAW-SECBINFHSA-N -1 0 348.187 3.557 20 0 EHADRM CCCCCCOc1ccc(C(=O)N(CC(=O)[O-])C2CCC2)cc1 ZINC001589645837 949733329 /nfs/dbraw/zinc/73/33/29/949733329.db2.gz TUKPDBVESFDSPW-UHFFFAOYSA-N -1 0 333.428 3.725 20 0 EHADRM O=C([O-])c1cncc(NC(=O)c2ccc(CCC(F)(F)F)cc2)c1 ZINC001595271834 949839941 /nfs/dbraw/zinc/83/99/41/949839941.db2.gz QSNWRMVWKJCYEC-UHFFFAOYSA-N -1 0 338.285 3.527 20 0 EHADRM C[C@@H]1CCCCN1C(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC000235236193 949853010 /nfs/dbraw/zinc/85/30/10/949853010.db2.gz YNHGPHNGYCSIIC-SECBINFHSA-N -1 0 341.205 3.554 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)[C@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC001595274106 949889087 /nfs/dbraw/zinc/88/90/87/949889087.db2.gz TVBKFOWQGQFKML-JQWIXIFHSA-N -1 0 348.761 3.705 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000237992337 949987493 /nfs/dbraw/zinc/98/74/93/949987493.db2.gz CQBJNYRUCGCPFC-CYBMUJFWSA-N -1 0 347.308 3.704 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000262135587 950070244 /nfs/dbraw/zinc/07/02/44/950070244.db2.gz IZOMBAMYFUPMJW-MDKPJZGXSA-N -1 0 341.451 3.527 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000262229166 950090489 /nfs/dbraw/zinc/09/04/89/950090489.db2.gz SCJQQBKBJBHIHD-MRXNPFEDSA-N -1 0 327.380 3.664 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)C(F)(F)c2cccc(Cl)c2)C1 ZINC000263121992 950277909 /nfs/dbraw/zinc/27/79/09/950277909.db2.gz KPWLWNMOXTWMAM-NSHDSACASA-N -1 0 345.773 3.535 20 0 EHADRM CCSc1cccc(F)c1NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263153930 950297821 /nfs/dbraw/zinc/29/78/21/950297821.db2.gz PUAAEACFQLUCPW-MNOVXSKESA-N -1 0 340.420 3.512 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc(-c3ccc(F)cc3)s2)C1 ZINC000263337985 950381334 /nfs/dbraw/zinc/38/13/34/950381334.db2.gz MVPZUASKPSXKBX-DGCLKSJQSA-N -1 0 347.411 3.737 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000263502840 950494025 /nfs/dbraw/zinc/49/40/25/950494025.db2.gz LFNQYWRBQBBZSY-MWLCHTKSSA-N -1 0 347.358 3.624 20 0 EHADRM CCN(Cc1ccccc1C)C(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001589740299 950574117 /nfs/dbraw/zinc/57/41/17/950574117.db2.gz FBPCHNYYBQTYAH-INIZCTEOSA-N -1 0 334.460 3.664 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCCc2c1cccc2C(F)(F)F ZINC001602846913 971681377 /nfs/dbraw/zinc/68/13/77/971681377.db2.gz DCOJYPOQOCYODU-CYBMUJFWSA-N -1 0 343.345 3.732 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCC(c2ccc3[nH]ccc3c2)CC1 ZINC001602847783 971684961 /nfs/dbraw/zinc/68/49/61/971684961.db2.gz VLSSJBRHMICFTQ-QGZVFWFLSA-N -1 0 342.439 3.621 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)Nc1cccc(OCc2ccccc2)c1 ZINC000310896704 950720206 /nfs/dbraw/zinc/72/02/06/950720206.db2.gz LZGMRMHCHUOXIA-UHFFFAOYSA-N -1 0 342.395 3.594 20 0 EHADRM Cc1cc(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])c(Cl)cc1F ZINC000319681866 950964816 /nfs/dbraw/zinc/96/48/16/950964816.db2.gz RLMJCWTUZQSMFK-JTQLQIEISA-N -1 0 330.787 3.656 20 0 EHADRM CC(C)CCCCCC(=O)N(C)[C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC001574195498 950988847 /nfs/dbraw/zinc/98/88/47/950988847.db2.gz QCFVTUFPMZNWFF-HNNXBMFYSA-N -1 0 343.475 3.993 20 0 EHADRM CCOC(=O)Nc1ccc(OC(=O)C2(C(=O)[O-])CCCCCC2)cc1 ZINC001590958537 951030042 /nfs/dbraw/zinc/03/00/42/951030042.db2.gz QVGDAIZKNQBSMZ-UHFFFAOYSA-N -1 0 349.383 3.586 20 0 EHADRM CCOC(=O)Nc1ccc(NC(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC001590959019 951033493 /nfs/dbraw/zinc/03/34/93/951033493.db2.gz ZGDVNYPRJKZKKZ-UHFFFAOYSA-N -1 0 343.339 3.597 20 0 EHADRM CC(C)(C)c1cc(C(=O)NC2(C(=O)[O-])CCCCC2)cc(Cl)n1 ZINC000323264293 951043670 /nfs/dbraw/zinc/04/36/70/951043670.db2.gz YAKWNEGJUNNUEA-UHFFFAOYSA-N -1 0 338.835 3.550 20 0 EHADRM COc1ccccc1CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000324103374 951061311 /nfs/dbraw/zinc/06/13/11/951061311.db2.gz LVFQYOIHQWGLAI-UHFFFAOYSA-N -1 0 345.420 3.515 20 0 EHADRM C[C@H]1CCCN(C(=O)c2ccc(SC(F)(F)F)cc2)[C@H]1C(=O)[O-] ZINC000324393978 951068029 /nfs/dbraw/zinc/06/80/29/951068029.db2.gz NBSKZFCSOAUJFW-JOYOIKCWSA-N -1 0 347.358 3.624 20 0 EHADRM COc1cc(Cl)c(C)cc1NC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000324649072 951072835 /nfs/dbraw/zinc/07/28/35/951072835.db2.gz ARONGBJRVTZQHP-HNNXBMFYSA-N -1 0 348.786 3.604 20 0 EHADRM CC(C)[C@@H](NC(=O)Nc1ccccc1Oc1ccccc1)C(=O)[O-] ZINC000325216492 951081888 /nfs/dbraw/zinc/08/18/88/951081888.db2.gz OTKQBVSVBKXRCL-MRXNPFEDSA-N -1 0 328.368 3.710 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)CCc1ccc(Cl)cc1)C(=O)[O-] ZINC001602860545 971716046 /nfs/dbraw/zinc/71/60/46/971716046.db2.gz DKGNTEXTJYEQMU-CQSZACIVSA-N -1 0 325.836 3.668 20 0 EHADRM Cc1cc2ccccc2n1CC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000327532457 951115195 /nfs/dbraw/zinc/11/51/95/951115195.db2.gz TUEXCKSJDBBYND-UHFFFAOYSA-N -1 0 336.391 3.606 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000378471335 951152621 /nfs/dbraw/zinc/15/26/21/951152621.db2.gz DNJPIGVGJDOQCZ-FEAKQIBJSA-N -1 0 345.439 3.590 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)Nc2c(F)cc(Cl)cc2F)C1 ZINC001595015405 951281269 /nfs/dbraw/zinc/28/12/69/951281269.db2.gz AAMWMBDEGPOIIE-SECBINFHSA-N -1 0 346.761 3.727 20 0 EHADRM CCOc1ccc([C@H](C)OC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC001592815173 951365206 /nfs/dbraw/zinc/36/52/06/951365206.db2.gz AXHIAGUKXUFYMV-ZKQHCESOSA-N -1 0 330.336 3.694 20 0 EHADRM Cc1cc(NC(=O)NC[C@@H]2CCCCC2(F)F)ccc1C(=O)[O-] ZINC000390208871 951372380 /nfs/dbraw/zinc/37/23/80/951372380.db2.gz XBTXNNFGRLILOM-NSHDSACASA-N -1 0 326.343 3.640 20 0 EHADRM O=C([O-])CCCCNC(=O)Nc1ccccc1COc1ccccc1 ZINC001595043668 951436645 /nfs/dbraw/zinc/43/66/45/951436645.db2.gz ZGGQDPCQUZTTRS-UHFFFAOYSA-N -1 0 342.395 3.642 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)C[C@@H]1OCc2cc(Cl)ccc21 ZINC001595135113 952050500 /nfs/dbraw/zinc/05/05/00/952050500.db2.gz XCQMVJNLAQTDFH-INIZCTEOSA-N -1 0 345.782 3.567 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)NCCC1(c2ccccc2)CC1 ZINC001595136500 952056095 /nfs/dbraw/zinc/05/60/95/952056095.db2.gz JBKSYZDYUAJQQG-UHFFFAOYSA-N -1 0 338.407 3.557 20 0 EHADRM O=C([O-])c1c(-c2ccsc2)csc1NC(=O)[C@H]1C[C@@]12CCOC2 ZINC001595207027 952335380 /nfs/dbraw/zinc/33/53/80/952335380.db2.gz RJVPNGHYDAENMZ-BDJLRTHQSA-N -1 0 349.433 3.540 20 0 EHADRM O=C([O-])c1c(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)nc2ccccn21 ZINC001595207053 952335635 /nfs/dbraw/zinc/33/56/35/952335635.db2.gz ROHMWGCCFWKPRX-HZSPNIEDSA-N -1 0 341.411 3.578 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2CCC[C@H]2c2ccccc2)ccc1O ZINC001595208249 952347559 /nfs/dbraw/zinc/34/75/59/952347559.db2.gz ULGGQOQIHVXODM-GJZGRUSLSA-N -1 0 325.364 3.613 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)s1 ZINC001602922956 971883343 /nfs/dbraw/zinc/88/33/43/971883343.db2.gz KMDGLRSPWFEAHR-CQSZACIVSA-N -1 0 335.400 3.740 20 0 EHADRM CC(C)C[C@@H](CNc1cccc(Br)c1[N+](=O)[O-])C(=O)[O-] ZINC000383908215 971902497 /nfs/dbraw/zinc/90/24/97/971902497.db2.gz OMLZQZJFEXTDEC-VIFPVBQESA-N -1 0 345.193 3.516 20 0 EHADRM CC[C@@H](CC(F)(F)F)C(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC000402520643 953353806 /nfs/dbraw/zinc/35/38/06/953353806.db2.gz OCZWOQFKMDCXBG-JTQLQIEISA-N -1 0 329.318 3.643 20 0 EHADRM CC(C)(CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)Cc1cccc(Cl)c1 ZINC001602948158 971918000 /nfs/dbraw/zinc/91/80/00/971918000.db2.gz DQXUTWCCMIVMOX-UONOGXRCSA-N -1 0 337.847 3.526 20 0 EHADRM CCSCc1ccccc1C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC001593597305 953380043 /nfs/dbraw/zinc/38/00/43/953380043.db2.gz IIPVPRPBAHKISP-IBGZPJMESA-N -1 0 343.448 3.670 20 0 EHADRM CCSCc1cccc(NC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)c1 ZINC001593597353 953380630 /nfs/dbraw/zinc/38/06/30/953380630.db2.gz KJNBRVYEWQVVKD-TZMCWYRMSA-N -1 0 336.457 3.657 20 0 EHADRM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000417755990 953416738 /nfs/dbraw/zinc/41/67/38/953416738.db2.gz CPMLSFDLLFFBNJ-HUUCEWRRSA-N -1 0 347.459 3.558 20 0 EHADRM C[C@H]1CCCN(Cc2csc(-c3ccccc3F)n2)[C@@H]1C(=O)[O-] ZINC000424268048 953445775 /nfs/dbraw/zinc/44/57/75/953445775.db2.gz KXEKLUCESVUWIE-NHYWBVRUSA-N -1 0 334.416 3.634 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc(C(F)(F)F)cc2Cl)C1 ZINC001589274290 953446261 /nfs/dbraw/zinc/44/62/61/953446261.db2.gz CRFLQDSTHLVORS-RKDXNWHRSA-N -1 0 349.736 3.542 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NC[C@H]2CCCC[C@H]2c2ccccc2)C1 ZINC001594752083 953454323 /nfs/dbraw/zinc/45/43/23/953454323.db2.gz WEOZRMKUURUKID-MLHJIOFPSA-N -1 0 329.440 3.578 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)NCCC2CC=CC2)c1Cl ZINC001594754173 953459805 /nfs/dbraw/zinc/45/98/05/953459805.db2.gz LQZWRXIVCUDGKT-UHFFFAOYSA-N -1 0 326.755 3.655 20 0 EHADRM CC(C)(C)CC[C@H](NCc1csc(-c2ccccn2)n1)C(=O)[O-] ZINC000426742026 953491816 /nfs/dbraw/zinc/49/18/16/953491816.db2.gz IEYRZHWHXXBNNY-AWEZNQCLSA-N -1 0 333.457 3.574 20 0 EHADRM CC(C)C[C@H](NC(=O)C[C@H](C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000431447908 953501095 /nfs/dbraw/zinc/50/10/95/953501095.db2.gz WKGUONBYOMVXPC-DOMZBBRYSA-N -1 0 325.836 3.524 20 0 EHADRM Cc1cc(NC(=O)c2ccc(OC3CCCC3)nc2)ccc1C(=O)[O-] ZINC000431650939 953503447 /nfs/dbraw/zinc/50/34/47/953503447.db2.gz GXBRPSLCJQJCBB-UHFFFAOYSA-N -1 0 340.379 3.662 20 0 EHADRM C[C@@H]1C[C@H](CCNC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)CC(C)(C)C1 ZINC001589286511 953578423 /nfs/dbraw/zinc/57/84/23/953578423.db2.gz VXFAOISLTBXGMA-UGUYLWEFSA-N -1 0 338.492 3.591 20 0 EHADRM CC(C)[C@@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000554604439 953583650 /nfs/dbraw/zinc/58/36/50/953583650.db2.gz XCTPATKIQIBUPH-OAHLLOKOSA-N -1 0 332.787 3.560 20 0 EHADRM O=C([O-])CC1(C(=O)Nc2nc(-c3cccc(F)c3)cs2)CCC1 ZINC000563211060 953598111 /nfs/dbraw/zinc/59/81/11/953598111.db2.gz NEIVIPJNIWNAHH-UHFFFAOYSA-N -1 0 334.372 3.533 20 0 EHADRM CCc1ccc(C(C)(C)CNC(=O)NC[C@H](CC(C)C)C(=O)[O-])cc1 ZINC001593635232 953605667 /nfs/dbraw/zinc/60/56/67/953605667.db2.gz IJSDZTLSIKYKJH-INIZCTEOSA-N -1 0 348.487 3.573 20 0 EHADRM CCc1ccc(C(=O)N[C@H](C(=O)[O-])c2cccc(C)c2)cc1CC ZINC001593635197 953606151 /nfs/dbraw/zinc/60/61/51/953606151.db2.gz FBPHFFSOUQHQBI-SFHVURJKSA-N -1 0 325.408 3.676 20 0 EHADRM CCc1ccc(OC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)c(C(C)(C)C)c1 ZINC001593638724 953631064 /nfs/dbraw/zinc/63/10/64/953631064.db2.gz DSSLKRPIPCXNEB-CABCVRRESA-N -1 0 348.439 3.722 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)Nc1cccnc1C(=O)[O-] ZINC001589294361 953632236 /nfs/dbraw/zinc/63/22/36/953632236.db2.gz INALRLXBYVCIEJ-IPYPFGDCSA-N -1 0 339.395 3.578 20 0 EHADRM CCc1cccc(C)c1NC(=O)CNc1cccc(CCC(=O)[O-])c1 ZINC001593640360 953639931 /nfs/dbraw/zinc/63/99/31/953639931.db2.gz YANCRELEMPRUIH-UHFFFAOYSA-N -1 0 340.423 3.625 20 0 EHADRM CCOc1cccc2cc([C@H](C)NC(=O)C3(CC(=O)[O-])CCC3)oc21 ZINC000571527571 953661073 /nfs/dbraw/zinc/66/10/73/953661073.db2.gz YWSBAIJVPTWOHV-LBPRGKRZSA-N -1 0 345.395 3.654 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC001589303328 953710412 /nfs/dbraw/zinc/71/04/12/953710412.db2.gz GFBIAIKATLXXIP-BEFAXECRSA-N -1 0 337.419 3.608 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)c1 ZINC001594802331 953750685 /nfs/dbraw/zinc/75/06/85/953750685.db2.gz SXRLDROPJBLUGJ-DLBZAZTESA-N -1 0 347.374 3.611 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCc1nc(C2(C(=O)[O-])CCC2)no1 ZINC001589310762 953792426 /nfs/dbraw/zinc/79/24/26/953792426.db2.gz ZLQVYZRHHOTZPH-RDBSUJKOSA-N -1 0 336.432 3.553 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)c1ccc(-c2ccccc2F)o1 ZINC000621619386 953794208 /nfs/dbraw/zinc/79/42/08/953794208.db2.gz FFKVOZSSLKVYPM-GFCCVEGCSA-N -1 0 331.343 3.555 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)c1 ZINC001594809424 953802517 /nfs/dbraw/zinc/80/25/17/953802517.db2.gz VQKMRDOXWZMSSO-SAZUREKKSA-N -1 0 328.343 3.592 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000626747978 953802608 /nfs/dbraw/zinc/80/26/08/953802608.db2.gz DHJJBALYAZNLFB-FPMFFAJLSA-N -1 0 344.411 3.554 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N[C@@H]2CCOc3c(Cl)cccc32)c1 ZINC001594809504 953803108 /nfs/dbraw/zinc/80/31/08/953803108.db2.gz YRWVKNCXTIOOED-CQSZACIVSA-N -1 0 346.770 3.684 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N[C@@H]2CCCc3c(F)cccc32)c1 ZINC001594809527 953804012 /nfs/dbraw/zinc/80/40/12/953804012.db2.gz ZDTQFAOQODOXMY-MRXNPFEDSA-N -1 0 328.343 3.723 20 0 EHADRM CC[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1)c1cc(C)ccc1C ZINC000626778549 953820484 /nfs/dbraw/zinc/82/04/84/953820484.db2.gz QKAGKEUMJVIKQR-INMHGKMJSA-N -1 0 332.444 3.507 20 0 EHADRM CCCc1ccc(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)s1 ZINC000630155313 953841483 /nfs/dbraw/zinc/84/14/83/953841483.db2.gz HDFXAMUTRXQMKU-HNNXBMFYSA-N -1 0 329.421 3.525 20 0 EHADRM Cc1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1C(F)(F)F ZINC000630157510 953842519 /nfs/dbraw/zinc/84/25/19/953842519.db2.gz FFHCPUQSRSGJMM-GFCCVEGCSA-N -1 0 343.345 3.731 20 0 EHADRM C[C@H](C(=O)N1CCC[C@@H](C)[C@H]1C(=O)[O-])c1ccccc1C(F)(F)F ZINC000643865965 953912178 /nfs/dbraw/zinc/91/21/78/953912178.db2.gz LIHINWNMLVDCIB-SUNKGSAMSA-N -1 0 343.345 3.521 20 0 EHADRM CC(C)CC[C@@H](NC(=O)N1CCC(C)(C(=O)[O-])CC1)C(C)(C)C ZINC000646149742 953929718 /nfs/dbraw/zinc/92/97/18/953929718.db2.gz HPBQQLZZEBWLHV-CQSZACIVSA-N -1 0 326.481 3.734 20 0 EHADRM CN(C(=O)CCCCC(=O)[O-])c1nc2cc(Cl)ccc2s1 ZINC001593676569 953935483 /nfs/dbraw/zinc/93/54/83/953935483.db2.gz YAMPYYVHXFQKOD-UHFFFAOYSA-N -1 0 326.805 3.558 20 0 EHADRM Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)N(C)C(=O)[C@@H](C)C(=O)[O-] ZINC000647143645 953951605 /nfs/dbraw/zinc/95/16/05/953951605.db2.gz QBOKQJQYNYKYNE-DGCLKSJQSA-N -1 0 346.452 3.667 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H]1C(=O)[O-] ZINC000647689545 953962510 /nfs/dbraw/zinc/96/25/10/953962510.db2.gz WHINVRNRKPBAKL-PSASIEDQSA-N -1 0 331.199 3.568 20 0 EHADRM C[C@@H]1CCN(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)[O-] ZINC001589337169 954004022 /nfs/dbraw/zinc/00/40/22/954004022.db2.gz JXKQFMUTYXNWKE-IYKWBQJMSA-N -1 0 329.440 3.567 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1ccc(Br)c2ccccc12)C1CC1 ZINC001594835044 954020264 /nfs/dbraw/zinc/02/02/64/954020264.db2.gz BCEOOBJATCLZGM-AWEZNQCLSA-N -1 0 348.196 3.652 20 0 EHADRM CC(C)C[C@H](CNC(=O)CCc1ccc(Cl)s1)CC(=O)[O-] ZINC000652085976 954042313 /nfs/dbraw/zinc/04/23/13/954042313.db2.gz DTTHKXKQRVPVHN-NSHDSACASA-N -1 0 331.865 3.587 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC000653289203 954098704 /nfs/dbraw/zinc/09/87/04/954098704.db2.gz LUNWKKBDFKSWML-YJYMSZOUSA-N -1 0 327.380 3.730 20 0 EHADRM CC(C)(CC(=O)c1ccccc1)CC(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000653318892 954143614 /nfs/dbraw/zinc/14/36/14/954143614.db2.gz AKAXOEYTMJIIQU-INIZCTEOSA-N -1 0 345.439 3.532 20 0 EHADRM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001589364357 954177624 /nfs/dbraw/zinc/17/76/24/954177624.db2.gz RFXJUKBXBRGCCL-ZRGWGRIASA-N -1 0 344.455 3.596 20 0 EHADRM O=C([O-])[C@]1(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)CC=CCC1 ZINC001594852006 954203508 /nfs/dbraw/zinc/20/35/08/954203508.db2.gz OHHCLZZSSLLOPE-BMQTXXJKSA-N -1 0 339.435 3.735 20 0 EHADRM CC(C)[C@H](CNC(=O)[C@@H](c1cccc(Cl)c1)C(C)C)C(=O)[O-] ZINC000655573480 954211409 /nfs/dbraw/zinc/21/14/09/954211409.db2.gz SVROOCXTEAMRJG-LSDHHAIUSA-N -1 0 325.836 3.553 20 0 EHADRM Cc1ccc(C(C)(C)C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655585354 954226908 /nfs/dbraw/zinc/22/69/08/954226908.db2.gz WMYADXZIEHRNRD-VNQPRFMTSA-N -1 0 331.456 3.524 20 0 EHADRM C[C@H](NC(=O)C(C)(C)Cc1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655585559 954227330 /nfs/dbraw/zinc/22/73/30/954227330.db2.gz ZROFLEDOJUZVTJ-CWRNSKLLSA-N -1 0 331.456 3.507 20 0 EHADRM CC(C)[C@H](CNC(=O)N[C@H](C)c1ccc(F)c2ccccc21)C(=O)[O-] ZINC000655880504 954266048 /nfs/dbraw/zinc/26/60/48/954266048.db2.gz ZYERADFXESQYCQ-WBMJQRKESA-N -1 0 346.402 3.696 20 0 EHADRM CC(C)N(Cc1ccccc1)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655908799 954291812 /nfs/dbraw/zinc/29/18/12/954291812.db2.gz ZWUPWBUFZPDQCM-HYVNUMGLSA-N -1 0 346.471 3.742 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccccc2COC(C)(C)C)CC[C@H]1C(=O)[O-] ZINC001589387575 954312528 /nfs/dbraw/zinc/31/25/28/954312528.db2.gz NAHDPRMUHPUZKY-UKRRQHHQSA-N -1 0 348.443 3.576 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)CCC2 ZINC000659403160 954328647 /nfs/dbraw/zinc/32/86/47/954328647.db2.gz PBVGEWBZENIOBN-SFHVURJKSA-N -1 0 344.455 3.659 20 0 EHADRM CC(C)C[C@H](CNC(=O)N(C)Cc1cc2ccccc2o1)CC(=O)[O-] ZINC000659418104 954342330 /nfs/dbraw/zinc/34/23/30/954342330.db2.gz YIEVWYVCYIIBBY-AWEZNQCLSA-N -1 0 346.427 3.711 20 0 EHADRM O=C([O-])C1(CNC(=O)c2ccc(Oc3ccc(F)cc3)cc2)CCC1 ZINC000659785473 954375971 /nfs/dbraw/zinc/37/59/71/954375971.db2.gz LPHABDSDNCSUJU-UHFFFAOYSA-N -1 0 343.354 3.603 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cnc3c(F)cccc3c2)CCCCCC1 ZINC001594876666 954381515 /nfs/dbraw/zinc/38/15/15/954381515.db2.gz FAMAGPRSPQDSFY-UHFFFAOYSA-N -1 0 330.359 3.738 20 0 EHADRM CC(C)OCc1ccccc1CNC(=O)C1(C(=O)[O-])CCCCCC1 ZINC000663092433 954474342 /nfs/dbraw/zinc/47/43/42/954474342.db2.gz PBGFMVSUZPJOMS-UHFFFAOYSA-N -1 0 347.455 3.653 20 0 EHADRM O=C([O-])C1(c2noc(CCCc3ccc(C4CC4)cc3)n2)CCC1 ZINC001594887368 954475237 /nfs/dbraw/zinc/47/52/37/954475237.db2.gz OHOBUWWJRHAUQI-UHFFFAOYSA-N -1 0 326.396 3.629 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000663095482 954477583 /nfs/dbraw/zinc/47/75/83/954477583.db2.gz NOIOTGLYQTVHIE-OAHLLOKOSA-N -1 0 328.368 3.559 20 0 EHADRM Cc1ccc(CC2CCN(C(=O)NCCCCC(=O)[O-])CC2)cc1C ZINC000666557577 954558807 /nfs/dbraw/zinc/55/88/07/954558807.db2.gz PCOBGMVYGPWFAA-UHFFFAOYSA-N -1 0 346.471 3.522 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)NCCCCC(=O)[O-] ZINC000666562210 954560459 /nfs/dbraw/zinc/56/04/59/954560459.db2.gz IOYJNIWKAGPNOY-QGZVFWFLSA-N -1 0 334.460 3.603 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2ccc([C@@H]3CCCOC3)cc2)c1 ZINC000668273175 954567370 /nfs/dbraw/zinc/56/73/70/954567370.db2.gz WAPKJUKOKOTYFL-MRXNPFEDSA-N -1 0 325.364 3.531 20 0 EHADRM CC/C(=C/C(=O)N1CCC[C@](CC)(C(=O)[O-])C1)c1ccc(OC)cc1 ZINC001589420018 954590494 /nfs/dbraw/zinc/59/04/94/954590494.db2.gz IYYHDKGTDIEUAV-TXUZILRVSA-N -1 0 345.439 3.592 20 0 EHADRM CC(C)[C@H]1CCc2nc(NC(=O)[C@@]3(C(=O)[O-])CC=CCC3)sc2C1 ZINC001602999113 972035227 /nfs/dbraw/zinc/03/52/27/972035227.db2.gz CMNLCVDZTRURMI-KPZWWZAWSA-N -1 0 348.468 3.654 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)Nc2cccc3ccsc32)cc1 ZINC000386243653 972038649 /nfs/dbraw/zinc/03/86/49/972038649.db2.gz PLLNZRJSRNMHSI-UHFFFAOYSA-N -1 0 340.404 3.964 20 0 EHADRM CC[C@H](C(=O)[O-])N1CCCc2cc(NC(=O)OC(C)(C)C)ccc21 ZINC001589447312 954774912 /nfs/dbraw/zinc/77/49/12/954774912.db2.gz WUTTXBMSDGTIDQ-CQSZACIVSA-N -1 0 334.416 3.649 20 0 EHADRM CC(C)[C@H]1CN(C(=O)Nc2ccnc(C(=O)[O-])c2)c2ccccc21 ZINC001603000852 972042096 /nfs/dbraw/zinc/04/20/96/972042096.db2.gz ZPWOBJMFLJMKMO-CQSZACIVSA-N -1 0 325.368 3.572 20 0 EHADRM CC(C)C[C@H](C(=O)Nc1cc(C(=O)[O-])n[nH]1)c1ccc(Cl)cc1 ZINC001603002475 972046150 /nfs/dbraw/zinc/04/61/50/972046150.db2.gz SQNGJOJIAUVRIY-LBPRGKRZSA-N -1 0 335.791 3.530 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N(C)CCc1cccc2ccccc21 ZINC001589467087 954912401 /nfs/dbraw/zinc/91/24/01/954912401.db2.gz OJUPCZOCJGCJNW-UHFFFAOYSA-N -1 0 327.424 3.732 20 0 EHADRM CCC(CC)(CNC(=O)[C@H](C)CSCc1ccccc1)C(=O)[O-] ZINC001589481659 954980413 /nfs/dbraw/zinc/98/04/13/954980413.db2.gz IPAGMBZZTQJWDJ-CQSZACIVSA-N -1 0 337.485 3.563 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)O[C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC001589484523 954991200 /nfs/dbraw/zinc/99/12/00/954991200.db2.gz WEQWZQAVKRRAQZ-VIFPVBQESA-N -1 0 333.306 3.596 20 0 EHADRM CCC(CC)(CNC(=O)N1CCC[C@H]1Cc1ccc(C)cc1)C(=O)[O-] ZINC001589489037 955004118 /nfs/dbraw/zinc/00/41/18/955004118.db2.gz RWZCDOKPHBJBOB-KRWDZBQOSA-N -1 0 346.471 3.603 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)Nc1ccc(C(F)F)cc1)CC2 ZINC000386517144 972061283 /nfs/dbraw/zinc/06/12/83/972061283.db2.gz CZOUBDHVJVAOJX-UHFFFAOYSA-N -1 0 346.333 3.913 20 0 EHADRM CCC(CC)(CNC(=O)N[C@H](c1ccc(C)cc1)C1CC1)C(=O)[O-] ZINC001589489601 955012810 /nfs/dbraw/zinc/01/28/10/955012810.db2.gz YWLWJOBPFRQFTM-MRXNPFEDSA-N -1 0 332.444 3.636 20 0 EHADRM O=C([O-])c1ccc(Sc2ccc(S(=O)(=O)C(F)F)cc2)cc1 ZINC000386552570 972064212 /nfs/dbraw/zinc/06/42/12/972064212.db2.gz MDPLOJZCZZTQGG-UHFFFAOYSA-N -1 0 344.360 3.532 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)co1 ZINC001594967226 955071167 /nfs/dbraw/zinc/07/11/67/955071167.db2.gz ZYKYPHIIVKRYSX-DQOPKJQZSA-N -1 0 347.317 3.633 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)NCc2ccc(-c3ccccc3)o2)co1 ZINC001594968088 955076417 /nfs/dbraw/zinc/07/64/17/955076417.db2.gz KDIBNZNRENNPFS-CLFYSBASSA-N -1 0 337.331 3.567 20 0 EHADRM CC[C@H](CNC(=O)C1(Cc2cccc(F)c2)CCCCC1)C(=O)[O-] ZINC001589518036 955077138 /nfs/dbraw/zinc/07/71/38/955077138.db2.gz OOWGXBGATHCLGI-OAHLLOKOSA-N -1 0 335.419 3.546 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)Nc2ccc(F)cc2OCC2CC2)co1 ZINC001594969503 955092816 /nfs/dbraw/zinc/09/28/16/955092816.db2.gz ZOQYNDXLHNQNSX-XQRVVYSFSA-N -1 0 345.326 3.558 20 0 EHADRM CC[C@@H](CNC(=O)NCC1(c2cccc(C)c2)CCCCC1)C(=O)[O-] ZINC001589535209 955155942 /nfs/dbraw/zinc/15/59/42/955155942.db2.gz OAEAEWRLGIDPKX-INIZCTEOSA-N -1 0 346.471 3.607 20 0 EHADRM CC[C@H](CNC(=O)c1cc(C)cc(C(=O)[O-])c1)Oc1ccccc1C ZINC001589549487 955210960 /nfs/dbraw/zinc/21/09/60/955210960.db2.gz UBPNMNOPOMGJCC-QGZVFWFLSA-N -1 0 341.407 3.589 20 0 EHADRM Cc1cc(C)c(/C=C/C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1C ZINC000777394625 955339109 /nfs/dbraw/zinc/33/91/09/955339109.db2.gz CIAWVLLZTKAFGY-IWAYRVGRSA-N -1 0 329.440 3.728 20 0 EHADRM C[C@](CNC(=O)/C=C\c1ccc(Cl)cc1)(C(=O)[O-])c1ccccc1 ZINC000799251295 955352466 /nfs/dbraw/zinc/35/24/66/955352466.db2.gz CVGNYEKZFUBGFA-UZRURVBFSA-N -1 0 343.810 3.512 20 0 EHADRM Cc1oc(-c2ccccc2)c(C(=O)NC[C@H](C(=O)[O-])C(C)C)c1C ZINC001594504865 955352620 /nfs/dbraw/zinc/35/26/20/955352620.db2.gz YENLIZOLQLGCSQ-HNNXBMFYSA-N -1 0 329.396 3.650 20 0 EHADRM Cc1sc(-n2cccc2)c(C(=O)NC2CCC(C(=O)[O-])CC2)c1C ZINC001594510694 955388047 /nfs/dbraw/zinc/38/80/47/955388047.db2.gz RNLCASNRYJGWEL-UHFFFAOYSA-N -1 0 346.452 3.529 20 0 EHADRM Cc1sc(NC(=O)N(C)C[C@H](C)C(=O)[O-])nc1C1CCCCC1 ZINC001594512503 955400761 /nfs/dbraw/zinc/40/07/61/955400761.db2.gz VEKCHUIPIDMTMD-JTQLQIEISA-N -1 0 339.461 3.684 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001589013863 955410440 /nfs/dbraw/zinc/41/04/40/955410440.db2.gz MZGKOORXDCZWLZ-KBXCAEBGSA-N -1 0 343.398 3.727 20 0 EHADRM O=C([O-])c1cc(NC(=O)CSc2ccc(Cl)cc2)ccc1F ZINC000387058091 972100372 /nfs/dbraw/zinc/10/03/72/972100372.db2.gz RDTUUDYGVMYRGK-UHFFFAOYSA-N -1 0 339.775 3.908 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)N(C(=O)NCc2cccc(C(=O)[O-])c2)C1 ZINC000840993024 955578699 /nfs/dbraw/zinc/57/86/99/955578699.db2.gz FOVOGAYNYDKSRZ-RDTXWAMCSA-N -1 0 338.407 3.678 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1ccn(C)c1-c1ccccc1)CC(=O)[O-] ZINC001603046537 972109994 /nfs/dbraw/zinc/10/99/94/972109994.db2.gz OUDAZKSIJYPZIB-HNNXBMFYSA-N -1 0 342.439 3.559 20 0 EHADRM CC(C)C[C@H](NC(=O)Nc1cc(Cl)cc2cccnc21)C(=O)[O-] ZINC001603047888 972111044 /nfs/dbraw/zinc/11/10/44/972111044.db2.gz AKSRKFODXHHPBP-ZDUSSCGKSA-N -1 0 335.791 3.509 20 0 EHADRM C[C@](CNC(=O)Nc1ccc2occc2c1)(C(=O)[O-])c1ccccc1 ZINC001589056497 955699895 /nfs/dbraw/zinc/69/98/95/955699895.db2.gz IPDMSDNQLRMJHQ-LJQANCHMSA-N -1 0 338.363 3.597 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(CCCc2ccccc2)cc1)C(=O)[O-] ZINC001589056468 955700111 /nfs/dbraw/zinc/70/01/11/955700111.db2.gz HNUKTQVPXRFIGP-OAHLLOKOSA-N -1 0 340.423 3.704 20 0 EHADRM C[C@H](CNC(=O)Nc1c2ccccc2[nH]c1-c1ccccc1)C(=O)[O-] ZINC001589057609 955710647 /nfs/dbraw/zinc/71/06/47/955710647.db2.gz VTGPCJTUFYOQBU-GFCCVEGCSA-N -1 0 337.379 3.677 20 0 EHADRM C[C@@H](CSc1ccccc1)N(C)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001589077083 955830764 /nfs/dbraw/zinc/83/07/64/955830764.db2.gz PVJAYJPFMUNQJL-FUWURINLSA-N -1 0 345.420 3.630 20 0 EHADRM C[C@H](NC(=O)[C@]1(C(=O)[O-])CC1(C)C)c1ccc(F)c2ccccc21 ZINC001589090816 955936225 /nfs/dbraw/zinc/93/62/25/955936225.db2.gz ZGDYRPMPZMWMJP-WLRWDXFRSA-N -1 0 329.371 3.657 20 0 EHADRM Cc1cc2c(CC(=O)NC(C)(C)CCC(=O)[O-])csc2s1 ZINC000864116175 955943148 /nfs/dbraw/zinc/94/31/48/955943148.db2.gz MHMXNYZYRKCWQD-UHFFFAOYSA-N -1 0 325.455 3.573 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)/C=C/c1csc(C(F)(F)F)c1 ZINC000864133536 955957942 /nfs/dbraw/zinc/95/79/42/955957942.db2.gz RSOOLJHNBUKKMG-ZWNMCFTASA-N -1 0 347.358 3.636 20 0 EHADRM C[C@H](NC(=O)NCCC1=CCCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589106093 956028786 /nfs/dbraw/zinc/02/87/86/956028786.db2.gz LVDCJYAGMLLHIA-CWRNSKLLSA-N -1 0 336.476 3.702 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1ccc(F)c2ccccc21 ZINC001589117662 956105573 /nfs/dbraw/zinc/10/55/73/956105573.db2.gz OSRTXZANZJNSTQ-NSHDSACASA-N -1 0 338.338 3.563 20 0 EHADRM CO[C@H](C)CC(=O)Nc1scc(-c2ccsc2)c1C(=O)[O-] ZINC001593937789 956236524 /nfs/dbraw/zinc/23/65/24/956236524.db2.gz GFZSEBNKJXAXCU-MRVPVSSYSA-N -1 0 325.411 3.538 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1c1nc(-c2ccncc2)nc2ccccc21 ZINC000886914465 956247504 /nfs/dbraw/zinc/24/75/04/956247504.db2.gz YJOVLKOZMARNTQ-OAHLLOKOSA-N -1 0 348.406 3.525 20 0 EHADRM Cc1ccc(F)c2oc(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)cc21 ZINC000899298032 956277373 /nfs/dbraw/zinc/27/73/73/956277373.db2.gz NNICZVOLYSJRFX-LBPRGKRZSA-N -1 0 333.359 3.597 20 0 EHADRM CC(C)c1ncsc1NC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000899314102 956285464 /nfs/dbraw/zinc/28/54/64/956285464.db2.gz UVTSZEQGYFZFFV-NSHDSACASA-N -1 0 325.434 3.518 20 0 EHADRM CCCCc1nc(C)c(CC(=O)Nc2ccccc2CC(=O)[O-])s1 ZINC000901438907 956310625 /nfs/dbraw/zinc/31/06/25/956310625.db2.gz JRZCHGWFQCEILS-UHFFFAOYSA-N -1 0 346.452 3.602 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)CCc2ccc(F)c3ccccc23)C1 ZINC000901454846 956315563 /nfs/dbraw/zinc/31/55/63/956315563.db2.gz XRHQLPJPFZHCSJ-CQSZACIVSA-N -1 0 343.398 3.625 20 0 EHADRM C[C@@H]1CN(C(=O)c2coc(/C=C/C(=O)[O-])c2)CC[C@@H]1c1ccccc1 ZINC000901598097 956362982 /nfs/dbraw/zinc/36/29/82/956362982.db2.gz ALXGCZONWNDQLE-QBJLPMDFSA-N -1 0 339.391 3.643 20 0 EHADRM CCC(CC)(CNC(=O)c1cc2c(ccnc2Cl)s1)C(=O)[O-] ZINC000901691999 956416342 /nfs/dbraw/zinc/41/63/42/956416342.db2.gz HBMAWMSHRGIDMP-UHFFFAOYSA-N -1 0 340.832 3.571 20 0 EHADRM Cc1cc(C)c2c(c1)N(C(=O)c1coc(/C=C\C(=O)[O-])c1)CCC2 ZINC000901749175 956453382 /nfs/dbraw/zinc/45/33/82/956453382.db2.gz QJADQRYYNGMBFB-WAYWQWQTSA-N -1 0 325.364 3.587 20 0 EHADRM CCC(CC)[C@H](NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000901865967 956510175 /nfs/dbraw/zinc/51/01/75/956510175.db2.gz QXPXWLBWDARNOX-LNLFQRSKSA-N -1 0 347.455 3.550 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C ZINC000388916922 972198558 /nfs/dbraw/zinc/19/85/58/972198558.db2.gz CPNUFNDYDHRRCI-MFKMUULPSA-N -1 0 343.876 3.826 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N[C@H](CC2CC2)c2ccccc2)o1 ZINC001594670003 956611005 /nfs/dbraw/zinc/61/10/05/956611005.db2.gz KPJVKRKVQAOQSS-PXUDHTSWSA-N -1 0 325.364 3.649 20 0 EHADRM Cc1ccc(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c(Cl)c1 ZINC000388970391 972201417 /nfs/dbraw/zinc/20/14/17/972201417.db2.gz XWVQWXBFYUNXHL-UHFFFAOYSA-N -1 0 325.698 3.877 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NCCc1ccc2ccccc2c1 ZINC001589205288 956660863 /nfs/dbraw/zinc/66/08/63/956660863.db2.gz GREWMIZSYWSCDK-UHFFFAOYSA-N -1 0 339.435 3.636 20 0 EHADRM CC1(C)CC[C@H](NC(=O)[C@H]2CC[C@H]2C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001589225286 956788399 /nfs/dbraw/zinc/78/83/99/956788399.db2.gz WMPNWZFXHPIRSO-HZMVEIRTSA-N -1 0 329.440 3.576 20 0 EHADRM CCOCCCCCC(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21 ZINC000902821172 956811477 /nfs/dbraw/zinc/81/14/77/956811477.db2.gz WYVJWFMHJFRISJ-MRXNPFEDSA-N -1 0 347.455 3.654 20 0 EHADRM COCCC[C@@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001593993253 956857146 /nfs/dbraw/zinc/85/71/46/956857146.db2.gz SSICQHVJLLLAQO-GHMZBOCLSA-N -1 0 339.457 3.572 20 0 EHADRM Cc1cccc(-c2nnc(SCc3cccc(C(=O)[O-])c3)n2C)c1 ZINC000013061777 956920245 /nfs/dbraw/zinc/92/02/45/956920245.db2.gz AZLARWUYJVODSU-UHFFFAOYSA-N -1 0 339.420 3.781 20 0 EHADRM C[C@H]1CCCC[C@@H]1NC(=O)COc1c(C(=O)[O-])ccc2ccccc21 ZINC000013086236 956939464 /nfs/dbraw/zinc/93/94/64/956939464.db2.gz IJBZGSWKDBQLHY-GUYCJALGSA-N -1 0 341.407 3.612 20 0 EHADRM C[C@]1(Cc2cccs2)CCCN1C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001589247317 956942225 /nfs/dbraw/zinc/94/22/25/956942225.db2.gz LORSGUCBZDLYKE-XOWYPZSQSA-N -1 0 345.420 3.676 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc(F)cc1 ZINC000013176354 956956308 /nfs/dbraw/zinc/95/63/08/956956308.db2.gz UNHRCVSOJORBFH-OJXHRBAXSA-N -1 0 347.773 3.825 20 0 EHADRM C[C@@H](CCc1ccco1)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000013192765 956977848 /nfs/dbraw/zinc/97/78/48/956977848.db2.gz OGDAVZWXUDVOEJ-LZGFCCKTSA-N -1 0 330.340 3.719 20 0 EHADRM CC1=C[C@@H](C)CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)C1 ZINC001589255964 956986915 /nfs/dbraw/zinc/98/69/15/956986915.db2.gz AITAPTNZDCQCLQ-MRVPVSSYSA-N -1 0 326.755 3.607 20 0 EHADRM Cc1ccc(-c2nnc(SCc3ccc(C(=O)[O-])cc3)n2C)cc1 ZINC000013237104 956987602 /nfs/dbraw/zinc/98/76/02/956987602.db2.gz ATJDLELWCAJJOB-UHFFFAOYSA-N -1 0 339.420 3.781 20 0 EHADRM CCn1c(SCc2occc2C(=O)[O-])nnc1-c1cccs1 ZINC000013254473 956992879 /nfs/dbraw/zinc/99/28/79/956992879.db2.gz COMXCLIFGZCHRT-UHFFFAOYSA-N -1 0 335.410 3.610 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000013256550 956995434 /nfs/dbraw/zinc/99/54/34/956995434.db2.gz RGICDMQPMOLIAU-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM CC(C)Cn1ccc2c1cccc2C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000909157321 957005696 /nfs/dbraw/zinc/00/56/96/957005696.db2.gz MPRLYAJBPSCUDU-UHFFFAOYSA-N -1 0 342.439 3.671 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)CSc2ccccc2Cl)cc1 ZINC000013275168 957008054 /nfs/dbraw/zinc/00/80/54/957008054.db2.gz FPKPUYPESLYGRC-UHFFFAOYSA-N -1 0 335.812 3.698 20 0 EHADRM Cc1ccc(C(C)C)c(OS(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000013305927 957012373 /nfs/dbraw/zinc/01/23/73/957012373.db2.gz JMTJRZQDQCADDX-UHFFFAOYSA-N -1 0 340.422 3.646 20 0 EHADRM Cc1cccc(C)c1NC(=O)[C@H](C)Sc1ncccc1C(=O)[O-] ZINC000013310206 957016358 /nfs/dbraw/zinc/01/63/58/957016358.db2.gz SNGKHXPOWWNNRT-LBPRGKRZSA-N -1 0 330.409 3.516 20 0 EHADRM Cc1ccc(NC(=O)[C@H](C)Sc2ncccc2C(=O)[O-])c(C)c1 ZINC000013310056 957016581 /nfs/dbraw/zinc/01/65/81/957016581.db2.gz WJJJSHVHYJOBGY-LBPRGKRZSA-N -1 0 330.409 3.516 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)Oc2ccc(C(=O)[O-])cc2)cc1 ZINC000013341850 957027194 /nfs/dbraw/zinc/02/71/94/957027194.db2.gz RJNFMOQKTZJSQN-GFCCVEGCSA-N -1 0 334.393 3.666 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cc2c(s1)CCCC2)c1cccs1 ZINC000013387984 957039878 /nfs/dbraw/zinc/03/98/78/957039878.db2.gz HUUSRCYIMATYOS-LLVKDONJSA-N -1 0 335.450 3.634 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)CCCOc1ccccc1 ZINC000013390299 957043654 /nfs/dbraw/zinc/04/36/54/957043654.db2.gz KWIMMQQBNVOCBD-UHFFFAOYSA-N -1 0 339.391 3.523 20 0 EHADRM CCCN(Cc1ccc(C)cc1)C(=O)COc1ccc(C(=O)[O-])cc1 ZINC000013413646 957056639 /nfs/dbraw/zinc/05/66/39/957056639.db2.gz SWHKIDLBLBBQBK-UHFFFAOYSA-N -1 0 341.407 3.511 20 0 EHADRM O=C([O-])c1cc2c(cc1NC(=O)CCC1CCCCC1)OCCCO2 ZINC000013428117 957068351 /nfs/dbraw/zinc/06/83/51/957068351.db2.gz VAIXMOATBFZRIP-UHFFFAOYSA-N -1 0 347.411 3.845 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)C2(c3ccccc3)CCCC2)cc1 ZINC000013442037 957082744 /nfs/dbraw/zinc/08/27/44/957082744.db2.gz XNTMNHQPSPOGJO-UHFFFAOYSA-N -1 0 337.419 3.556 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000013442506 957082814 /nfs/dbraw/zinc/08/28/14/957082814.db2.gz ZLMMGNAHERKGQD-UHFFFAOYSA-N -1 0 338.190 3.664 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)C1(c2ccccc2)CCCC1 ZINC000013447757 957087063 /nfs/dbraw/zinc/08/70/63/957087063.db2.gz YTOYQMTTWMHCSU-UHFFFAOYSA-N -1 0 335.403 3.786 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)Cc1ccc2ccccc2c1 ZINC000013448227 957087174 /nfs/dbraw/zinc/08/71/74/957087174.db2.gz NUILZSXQHWCLRI-UHFFFAOYSA-N -1 0 331.371 3.670 20 0 EHADRM COc1ccc2nc(C)c(C(=O)Nc3cccc(C(=O)[O-])c3)cc2c1 ZINC000914731471 957093172 /nfs/dbraw/zinc/09/31/72/957093172.db2.gz VZPDWNFAXKFNTI-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)c1ccc2ccccc2n1 ZINC000389745138 972243544 /nfs/dbraw/zinc/24/35/44/972243544.db2.gz UDAMGNPCVIGUGJ-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2ccccc2OCC2CC2)C1 ZINC000926042446 957140755 /nfs/dbraw/zinc/14/07/55/957140755.db2.gz KRKBAQYXKDFCIA-LJQANCHMSA-N -1 0 346.427 3.584 20 0 EHADRM CCc1cc(C)cc(CC)c1NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000926110581 957144155 /nfs/dbraw/zinc/14/41/55/957144155.db2.gz WWDHUZXYGSYUCV-DLBZAZTESA-N -1 0 344.455 3.694 20 0 EHADRM Cc1nc(-c2ccc([C@H](C)NC(=O)CCCC(=O)[O-])cc2)cs1 ZINC001118223653 957163525 /nfs/dbraw/zinc/16/35/25/957163525.db2.gz YFRFTXZQSXEJIH-NSHDSACASA-N -1 0 332.425 3.551 20 0 EHADRM CCCC[C@@H](NC(=O)CCSc1ccc(Cl)cc1)C(=O)[O-] ZINC000035095527 957196877 /nfs/dbraw/zinc/19/68/77/957196877.db2.gz SUHUAGZMKGYILO-CYBMUJFWSA-N -1 0 329.849 3.582 20 0 EHADRM Cc1cc(Br)ccc1NC(=O)c1ccc(C(=O)[O-])s1 ZINC000035185687 957200332 /nfs/dbraw/zinc/20/03/32/957200332.db2.gz ATVMRLFIJDJABX-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1CCCC1(F)F ZINC000389939153 972256194 /nfs/dbraw/zinc/25/61/94/972256194.db2.gz BRNIKEIMPDXKCR-ZETCQYMHSA-N -1 0 334.706 3.794 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc(Cl)c(Cl)[nH]2)ccc1Cl ZINC000037641824 957317943 /nfs/dbraw/zinc/31/79/43/957317943.db2.gz QWZSKKIWSGXUKX-UHFFFAOYSA-N -1 0 333.558 3.925 20 0 EHADRM COc1ccc(Br)cc1COc1cccc(C(=O)[O-])c1 ZINC000050279618 957488724 /nfs/dbraw/zinc/48/87/24/957488724.db2.gz LIKPFZFPZNODLH-UHFFFAOYSA-N -1 0 337.169 3.735 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1F ZINC000390331791 972276242 /nfs/dbraw/zinc/27/62/42/972276242.db2.gz ZXTVIUXGWRIJNI-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM CCc1ccc(OCC(=O)Oc2ccc(Cl)cc2C(=O)[O-])cc1 ZINC000066143444 957640432 /nfs/dbraw/zinc/64/04/32/957640432.db2.gz KEXPIPREBIQDKZ-UHFFFAOYSA-N -1 0 334.755 3.585 20 0 EHADRM Cc1sc(NC(=O)CCOc2ccccc2C)c(C(=O)[O-])c1C ZINC000390395054 972281261 /nfs/dbraw/zinc/28/12/61/972281261.db2.gz FLDPZMRSXCWBIB-UHFFFAOYSA-N -1 0 333.409 3.779 20 0 EHADRM Cn1c2ccc(C(=O)[O-])cc2nc1-c1ccc(Br)s1 ZINC000068850046 957648497 /nfs/dbraw/zinc/64/84/97/957648497.db2.gz ZHUTXOXICNNBKE-UHFFFAOYSA-N -1 0 337.198 3.763 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2sccc2Br)ccc1F ZINC000070164174 957662005 /nfs/dbraw/zinc/66/20/05/957662005.db2.gz QJHWXQLYAKKISB-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c(C(F)(F)F)o1 ZINC001594277561 957724118 /nfs/dbraw/zinc/72/41/18/957724118.db2.gz ALIVKIYBVSIOQC-JTQLQIEISA-N -1 0 335.322 3.616 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2ccc(SC(F)(F)F)cc2)CCC1 ZINC001330621051 957724981 /nfs/dbraw/zinc/72/49/81/957724981.db2.gz JPVIQSKESJQJFA-UHFFFAOYSA-N -1 0 348.346 3.675 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CC[C@@H](c2ccccc2)c2ccccc21 ZINC001574756654 957731628 /nfs/dbraw/zinc/73/16/28/957731628.db2.gz BEZAIBJJOAUPDP-RYQLBKOJSA-N -1 0 335.403 3.666 20 0 EHADRM COCc1ccccc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001594029315 957745904 /nfs/dbraw/zinc/74/59/04/957745904.db2.gz WPCFJQSCWRZWFM-UHFFFAOYSA-N -1 0 337.734 3.576 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2cc(Cl)ccc2N(C)C)c1 ZINC001594288254 957795247 /nfs/dbraw/zinc/79/52/47/957795247.db2.gz GPCBFJSRVAOIQR-UHFFFAOYSA-N -1 0 332.787 3.665 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2CCC[C@H](c3ccccc3)CC2)nc1 ZINC001574796092 957819224 /nfs/dbraw/zinc/81/92/24/957819224.db2.gz LOTUQAPGEWBHNX-RDJZCZTQSA-N -1 0 338.407 3.626 20 0 EHADRM Cc1cc(C)cc(Oc2ccc(CNC(=O)[C@H](C)C(=O)[O-])cc2C)c1 ZINC001594297886 957880861 /nfs/dbraw/zinc/88/08/61/957880861.db2.gz YITQBMBKXXQVAA-HNNXBMFYSA-N -1 0 341.407 3.741 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)C1 ZINC001342629987 958009916 /nfs/dbraw/zinc/00/99/16/958009916.db2.gz ZFLVCGDNOFLIQU-OAHLLOKOSA-N -1 0 347.308 3.562 20 0 EHADRM COc1cc2c(c(CNc3ccc(C(=O)[O-])c(C)c3)c1)O[C@H](C)C2 ZINC001594058585 958064946 /nfs/dbraw/zinc/06/49/46/958064946.db2.gz GNAVUUYITMJYAE-GFCCVEGCSA-N -1 0 327.380 3.637 20 0 EHADRM Cc1cc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)ccc1Oc1cccnc1 ZINC001594324602 958148401 /nfs/dbraw/zinc/14/84/01/958148401.db2.gz HKYZORDLHWXOCX-UONOGXRCSA-N -1 0 340.379 3.622 20 0 EHADRM C[C@H]1CCCC[C@H]1N(C)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000391215116 972324025 /nfs/dbraw/zinc/32/40/25/972324025.db2.gz RYKRJGKXLJWRFM-TVQRCGJNSA-N -1 0 326.343 3.705 20 0 EHADRM C[C@H](NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)c1csc2ccccc21 ZINC001521187772 958220854 /nfs/dbraw/zinc/22/08/54/958220854.db2.gz RTYPGYRZAQAYSZ-FRRDWIJNSA-N -1 0 346.452 3.715 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N1CC[C@H](C)C[C@H]1C(=O)[O-] ZINC000391426296 972335734 /nfs/dbraw/zinc/33/57/34/972335734.db2.gz DTPZZFWXSMRALE-ZANVPECISA-N -1 0 335.787 3.720 20 0 EHADRM Cc1ccc(C(C)C)c(OCCC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)c1 ZINC001594350196 958343880 /nfs/dbraw/zinc/34/38/80/958343880.db2.gz WJTIROXHQPOXGQ-CVEARBPZSA-N -1 0 347.455 3.599 20 0 EHADRM Cc1ccc(Cl)cc1CNC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001594363441 958475013 /nfs/dbraw/zinc/47/50/13/958475013.db2.gz YWARPHSBOQIXND-HNNXBMFYSA-N -1 0 338.835 3.577 20 0 EHADRM COc1ccc2c(c1)N(CCOc1ccccc1C(=O)[O-])CCCC2 ZINC001594117741 958568203 /nfs/dbraw/zinc/56/82/03/958568203.db2.gz JNIGKAQRNJMWAH-UHFFFAOYSA-N -1 0 341.407 3.615 20 0 EHADRM COc1ccc2cc([C@H](C)OC(=O)C3(C(=O)[O-])CCC3)ccc2c1 ZINC001594118688 958585215 /nfs/dbraw/zinc/58/52/15/958585215.db2.gz YPGIDCRWWCUCQH-LBPRGKRZSA-N -1 0 328.364 3.708 20 0 EHADRM C/C(=C\c1c(Cl)cccc1Cl)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001588480432 958588090 /nfs/dbraw/zinc/58/80/90/958588090.db2.gz KCKHNKIARPTHHV-RJCSOLBVSA-N -1 0 342.222 3.720 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)CSCc1cccs1 ZINC000128180663 958640514 /nfs/dbraw/zinc/64/05/14/958640514.db2.gz IMWMSWORSGFCJJ-UHFFFAOYSA-N -1 0 327.452 3.688 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)Nc1cc(Cl)c(Cl)cc1F)C1CC1 ZINC001573375775 958654290 /nfs/dbraw/zinc/65/42/90/958654290.db2.gz SPFANFYFACJNKA-LURJTMIESA-N -1 0 335.162 3.602 20 0 EHADRM Cc1ccc2snc(C(=O)NC3(C(=O)[O-])CCCCCC3)c2c1 ZINC001594385911 958666931 /nfs/dbraw/zinc/66/69/31/958666931.db2.gz JIEQSSVUUCUAMT-UHFFFAOYSA-N -1 0 332.425 3.512 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC001594387595 958690444 /nfs/dbraw/zinc/69/04/44/958690444.db2.gz GXCNQPQLFSBLBE-QWHCGFSZSA-N -1 0 331.318 3.714 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@H](c1ccc(Cl)cc1)N(C)C ZINC001594388338 958695140 /nfs/dbraw/zinc/69/51/40/958695140.db2.gz WKQPDVBQCIBLQZ-INIZCTEOSA-N -1 0 346.814 3.588 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)N[C@H](c1ccccc1)C(F)F)C(=O)[O-] ZINC001573394912 958712880 /nfs/dbraw/zinc/71/28/80/958712880.db2.gz ILQFOSRKXRUCBD-QWHCGFSZSA-N -1 0 342.386 3.572 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1cccs1 ZINC000129589620 958712936 /nfs/dbraw/zinc/71/29/36/958712936.db2.gz HKCNKDFZHZFNHY-NSHDSACASA-N -1 0 330.192 3.611 20 0 EHADRM Cc1cccc(C(C)(C)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)c1 ZINC001594390643 958713287 /nfs/dbraw/zinc/71/32/87/958713287.db2.gz ZWGFJZZHHKJGJZ-HNNXBMFYSA-N -1 0 334.460 3.666 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2ccc(C)c(-n3cccc3)c2)C(=O)[O-])c1 ZINC001594394191 958755293 /nfs/dbraw/zinc/75/52/93/958755293.db2.gz RWVKENDLODHTOD-IBGZPJMESA-N -1 0 348.402 3.650 20 0 EHADRM Cc1cccc(C2(CNC(=O)[C@H](C(=O)[O-])C(C)C)CCCCC2)c1 ZINC001594401393 958856076 /nfs/dbraw/zinc/85/60/76/958856076.db2.gz DMMITUWNPOUCRZ-QGZVFWFLSA-N -1 0 331.456 3.670 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)c1 ZINC000136699885 958904957 /nfs/dbraw/zinc/90/49/57/958904957.db2.gz QQGXBDXMMFECJZ-LBPRGKRZSA-N -1 0 329.849 3.681 20 0 EHADRM CC(C)(C)Sc1cc(C(=O)NCc2ccccc2C(=O)[O-])ccn1 ZINC001573462684 958920255 /nfs/dbraw/zinc/92/02/55/958920255.db2.gz JJLBDHUMFNWTKI-UHFFFAOYSA-N -1 0 344.436 3.600 20 0 EHADRM CC(C)(C)c1ccc([C@@H](O)CCC(=O)NCCCCCC(=O)[O-])cc1 ZINC001573463090 958926710 /nfs/dbraw/zinc/92/67/10/958926710.db2.gz YTMPENMWHOJXFU-KRWDZBQOSA-N -1 0 349.471 3.559 20 0 EHADRM Cc1cccc(CC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1Cl ZINC001594410365 958946049 /nfs/dbraw/zinc/94/60/49/958946049.db2.gz YICLFTCQGCVCRN-CYBMUJFWSA-N -1 0 325.836 3.587 20 0 EHADRM C[C@@H](C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1cn(C)c2ccccc12 ZINC001588552562 959035490 /nfs/dbraw/zinc/03/54/90/959035490.db2.gz UZNJCCRUCLKPTM-CJNGLKHVSA-N -1 0 344.455 3.678 20 0 EHADRM CC(C)[C@@H](SCc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001573500845 959060913 /nfs/dbraw/zinc/06/09/13/959060913.db2.gz VMVYCKVOVWEQGN-MRXNPFEDSA-N -1 0 344.436 3.676 20 0 EHADRM CC(C)CN(Cc1ccc(F)c(Cl)c1)C(=O)[C@]1(C(=O)[O-])C[C@H]1C ZINC001573522230 959124472 /nfs/dbraw/zinc/12/44/72/959124472.db2.gz CCPULPYXZSBMJX-DIFFPNOSSA-N -1 0 341.810 3.575 20 0 EHADRM O=C([O-])c1ccccc1COc1cc(F)ccc1Br ZINC000160127290 959139687 /nfs/dbraw/zinc/13/96/87/959139687.db2.gz NWHHZXUXAPNNSP-UHFFFAOYSA-N -1 0 325.133 3.865 20 0 EHADRM COc1ccc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c(C(=O)[O-])c1 ZINC000392057582 972405241 /nfs/dbraw/zinc/40/52/41/972405241.db2.gz MDZKAYLKSOHFKR-MELADBBJSA-N -1 0 331.412 3.938 20 0 EHADRM CSc1cc(Nc2cccc(CCC(=O)[O-])c2)nc(SC)n1 ZINC001594190000 959165367 /nfs/dbraw/zinc/16/53/67/959165367.db2.gz MLQPPKMFGKTBOI-UHFFFAOYSA-N -1 0 335.454 3.681 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1cncc(-c2ccccc2)c1)CC(=O)[O-] ZINC001573536858 959175321 /nfs/dbraw/zinc/17/53/21/959175321.db2.gz PSYOLCXOYLFIQC-HNNXBMFYSA-N -1 0 340.423 3.615 20 0 EHADRM CSc1ccccc1CN(C)C(=O)C1(C(=O)[O-])C(C)(C)C1(C)C ZINC001594196344 959197016 /nfs/dbraw/zinc/19/70/16/959197016.db2.gz MVTNYJDEMQKADU-UHFFFAOYSA-N -1 0 335.469 3.504 20 0 EHADRM CC(C)OC1(CNC(=O)Nc2cccc(C(=O)[O-])c2)CCCCC1 ZINC001573549112 959223005 /nfs/dbraw/zinc/22/30/05/959223005.db2.gz BZMQYCAZPPOOSY-UHFFFAOYSA-N -1 0 334.416 3.634 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC001573575064 959321946 /nfs/dbraw/zinc/32/19/46/959321946.db2.gz RQFOZGTUDKJJNH-SECBINFHSA-N -1 0 341.285 3.558 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CCOc1ccccc1Cl ZINC000170577066 959416009 /nfs/dbraw/zinc/41/60/09/959416009.db2.gz ASBWTSDKKSBWBM-UHFFFAOYSA-N -1 0 333.771 3.754 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NCc2ccccc2OC2CCCC2)C1 ZINC000179958107 959435962 /nfs/dbraw/zinc/43/59/62/959435962.db2.gz PPHMUKYBYBTCLQ-HUUCEWRRSA-N -1 0 345.439 3.515 20 0 EHADRM C[C@H](C(=O)[O-])c1noc(C(F)(F)c2cccc(Cl)c2Cl)n1 ZINC001588602343 959437336 /nfs/dbraw/zinc/43/73/36/959437336.db2.gz GXAQJZVCAGLBAL-YFKPBYRVSA-N -1 0 337.109 3.705 20 0 EHADRM C[C@H](COCC1CCCCC1)NC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001573601017 959442423 /nfs/dbraw/zinc/44/24/23/959442423.db2.gz GQCMYDITIYUNGQ-OAHLLOKOSA-N -1 0 339.476 3.513 20 0 EHADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC001594227951 959445788 /nfs/dbraw/zinc/44/57/88/959445788.db2.gz ZLDRRVHUPFRODZ-ZMZPIMSZSA-N -1 0 329.327 3.667 20 0 EHADRM O=C([O-])c1coc(C(=O)Nc2ccccc2CCC(F)(F)F)c1 ZINC000183815411 959451669 /nfs/dbraw/zinc/45/16/69/959451669.db2.gz MPCCTWSJMMEYGZ-UHFFFAOYSA-N -1 0 327.258 3.725 20 0 EHADRM O=C([O-])c1coc(C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)c1 ZINC000183806228 959452367 /nfs/dbraw/zinc/45/23/67/959452367.db2.gz GZNOBIZYHBBGSP-GOSISDBHSA-N -1 0 347.370 3.766 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC001573607443 959457034 /nfs/dbraw/zinc/45/70/34/959457034.db2.gz AWOAJTWEAJGNCB-JTQLQIEISA-N -1 0 333.771 3.561 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)cc2)cs1 ZINC000183970291 959459908 /nfs/dbraw/zinc/45/99/08/959459908.db2.gz WLGNKPJLRAVLNL-ZIAGYGMSSA-N -1 0 344.436 3.948 20 0 EHADRM C[C@@H](CSc1ccccc1)N(C)C(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001573607777 959460068 /nfs/dbraw/zinc/46/00/68/959460068.db2.gz INMUZVFKWHSQFX-XJKSGUPXSA-N -1 0 335.469 3.517 20 0 EHADRM C[C@](NC(=O)Cc1ccc(C2CCC2)cc1)(C(=O)[O-])c1ccccc1 ZINC001573616361 959494856 /nfs/dbraw/zinc/49/48/56/959494856.db2.gz LBAJQDYIOSRUNL-OAQYLSRUSA-N -1 0 337.419 3.613 20 0 EHADRM C[C@@H](NC(=O)c1cc(C2CC2)[nH]c1C1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001573623541 959526890 /nfs/dbraw/zinc/52/68/90/959526890.db2.gz VHBKTDNIBSJDBT-WKPIXPDZSA-N -1 0 344.455 3.635 20 0 EHADRM C[C@H](NC(=O)c1coc(/C=C\C(=O)[O-])c1)c1ccc(Cl)s1 ZINC001594240747 959529473 /nfs/dbraw/zinc/52/94/73/959529473.db2.gz VJGCAOLVMMASLB-YAPUSRSVSA-N -1 0 325.773 3.583 20 0 EHADRM CCc1oc2ccccc2c1C(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC000190923413 959529567 /nfs/dbraw/zinc/52/95/67/959529567.db2.gz HFYLJTQMHUVJEZ-UHFFFAOYSA-N -1 0 327.336 3.525 20 0 EHADRM Cc1ccc(SC2CCCC2)c(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC000191052143 959536056 /nfs/dbraw/zinc/53/60/56/959536056.db2.gz XCVHTDOVWROZDM-LJQANCHMSA-N -1 0 347.480 3.967 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)[C@H]2CSc3ccccc32)cc1)C(=O)[O-] ZINC000191389987 959557026 /nfs/dbraw/zinc/55/70/26/959557026.db2.gz XXQCEHWDQKQMCD-WBMJQRKESA-N -1 0 341.432 3.778 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2cc3c(cccc3F)[nH]2)cc1)C(=O)[O-] ZINC000191430735 959566573 /nfs/dbraw/zinc/56/65/73/959566573.db2.gz FPHIONVPDYWYSN-NSHDSACASA-N -1 0 340.354 3.823 20 0 EHADRM C[C@@H](C(=O)NCC1(C(=O)[O-])CCCCC1)c1cc2ccccc2o1 ZINC000191501985 959574282 /nfs/dbraw/zinc/57/42/82/959574282.db2.gz YBKPHVKZBQTCSF-CYBMUJFWSA-N -1 0 329.396 3.688 20 0 EHADRM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC001573640027 959605627 /nfs/dbraw/zinc/60/56/27/959605627.db2.gz CYNVUSDCLYHZST-JKIFEVAISA-N -1 0 347.455 3.606 20 0 EHADRM C=C[C@@H](CC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000193068837 959612218 /nfs/dbraw/zinc/61/22/18/959612218.db2.gz AMSMFWOWRGSETA-KKSFZXQISA-N -1 0 337.419 3.505 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC001588633227 959628430 /nfs/dbraw/zinc/62/84/30/959628430.db2.gz FKPBJPJGRCNCGW-HNNXBMFYSA-N -1 0 346.358 3.698 20 0 EHADRM CC1(C)C[C@@H](NC(=O)c2cccc(C(=O)[O-])c2)c2cc(F)ccc2O1 ZINC001573663975 959680232 /nfs/dbraw/zinc/68/02/32/959680232.db2.gz CIKCWXKTSXUYLD-OAHLLOKOSA-N -1 0 343.354 3.556 20 0 EHADRM Cc1c2cccc(C)c2oc1CN(C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001594261396 959696262 /nfs/dbraw/zinc/69/62/62/959696262.db2.gz AAOCRKZTQVGLCO-UONOGXRCSA-N -1 0 329.396 3.509 20 0 EHADRM CC1(C)CCC[C@@H]1N(Cc1ccccc1)C(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001573667732 959708324 /nfs/dbraw/zinc/70/83/24/959708324.db2.gz TYFIHUGLPYQZDK-ZACQAIPSSA-N -1 0 329.440 3.705 20 0 EHADRM CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)C1(C(=O)[O-])CCSCC1 ZINC001588643457 959715204 /nfs/dbraw/zinc/71/52/04/959715204.db2.gz QLNRHBYAOPKMAC-KGLIPLIRSA-N -1 0 341.517 3.553 20 0 EHADRM Cc1c2occ(CC(=O)Nc3ncccc3C(=O)[O-])c2ccc1Cl ZINC001594263057 959717181 /nfs/dbraw/zinc/71/71/81/959717181.db2.gz RJHSNTOAVIMMKD-UHFFFAOYSA-N -1 0 344.754 3.669 20 0 EHADRM Cc1cc(-c2nc([C@@H](C)C(=O)[O-])no2)ccc1NC(=O)OC(C)(C)C ZINC001594268302 959767364 /nfs/dbraw/zinc/76/73/64/959767364.db2.gz QHDGAEPHJDETST-SNVBAGLBSA-N -1 0 347.371 3.580 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)CCSCc1ccccc1)C(=O)[O-] ZINC001588651192 959769985 /nfs/dbraw/zinc/76/99/85/959769985.db2.gz ZKBUMEGKCOBYEM-OAHLLOKOSA-N -1 0 337.485 3.706 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)Nc1cccnc1C(=O)[O-] ZINC001594268550 959772509 /nfs/dbraw/zinc/77/25/09/959772509.db2.gz GPMKCUPPTITJEU-LLVKDONJSA-N -1 0 339.351 3.717 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)C1 ZINC001573699617 959817413 /nfs/dbraw/zinc/81/74/13/959817413.db2.gz SXTOEXGAZPAEOW-CABCVRRESA-N -1 0 343.467 3.585 20 0 EHADRM O=C([O-])c1ccc(CN2CCc3ccccc32)c(Br)c1 ZINC000226718298 959894843 /nfs/dbraw/zinc/89/48/43/959894843.db2.gz ZIBDBNNRLSPTMY-UHFFFAOYSA-N -1 0 332.197 3.710 20 0 EHADRM COc1ccc(NCc2cccc(C(=O)[O-])c2)cc1Br ZINC000234952542 960378922 /nfs/dbraw/zinc/37/89/22/960378922.db2.gz ZIXQOPLYSZAREX-UHFFFAOYSA-N -1 0 336.185 3.768 20 0 EHADRM CCCOc1ccc(NC(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000392598106 972501143 /nfs/dbraw/zinc/50/11/43/972501143.db2.gz ONSFHWOULZBJSP-UHFFFAOYSA-N -1 0 328.368 3.747 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc3c(s2)CCCCCC3)C[C@H]1C(=O)[O-] ZINC001573736386 960439382 /nfs/dbraw/zinc/43/93/82/960439382.db2.gz USPABSJSWJZDSA-GXTWGEPZSA-N -1 0 335.469 3.590 20 0 EHADRM C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4ccnc(C(=O)[O-])c4)cc3c2C1 ZINC001573738535 960470619 /nfs/dbraw/zinc/47/06/19/960470619.db2.gz HOMUMWQPACAVIG-NSHDSACASA-N -1 0 349.390 3.638 20 0 EHADRM Cc1ccc(NC(=O)c2cc(Cl)ncc2Cl)c(C(=O)[O-])c1 ZINC000235886273 960525168 /nfs/dbraw/zinc/52/51/68/960525168.db2.gz ZHUOASGJSBOKHL-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM Cc1cccc(C(=O)Nc2sccc2C(=O)[O-])c1Br ZINC000235918004 960531320 /nfs/dbraw/zinc/53/13/20/960531320.db2.gz RKGHBAMPXOPQEH-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM CS[C@H](C)CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001604948598 972519547 /nfs/dbraw/zinc/51/95/47/972519547.db2.gz ODTAFLDIHNIESR-DTWKUNHWSA-N -1 0 327.471 3.651 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001574296028 960692973 /nfs/dbraw/zinc/69/29/73/960692973.db2.gz AICKMMNEIAYPMF-AWEZNQCLSA-N -1 0 345.301 3.575 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1cc(F)ccc1F ZINC000236635551 960722059 /nfs/dbraw/zinc/72/20/59/960722059.db2.gz SBMWJNOIUAZMRY-UHFFFAOYSA-N -1 0 335.306 3.703 20 0 EHADRM CCC(CC)[C@@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1cccs1 ZINC000236680412 960731868 /nfs/dbraw/zinc/73/18/68/960731868.db2.gz VPROLMLILAFQMO-OAHLLOKOSA-N -1 0 332.425 3.749 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(N(C)C)c(C(F)(F)F)c1 ZINC001573785375 960733867 /nfs/dbraw/zinc/73/38/67/960733867.db2.gz RHGFHIZGGMPDLY-UHFFFAOYSA-N -1 0 346.349 3.601 20 0 EHADRM CCC(CC)(CNC(=O)Cc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000236846683 960771758 /nfs/dbraw/zinc/77/17/58/960771758.db2.gz MVLPIYNTFGZMHL-UHFFFAOYSA-N -1 0 332.227 3.543 20 0 EHADRM CCCC[C@H](NC(=O)c1ccccc1COc1ccccc1)C(=O)[O-] ZINC000236875802 960787142 /nfs/dbraw/zinc/78/71/42/960787142.db2.gz QCHQXNJMRYMOII-SFHVURJKSA-N -1 0 341.407 3.639 20 0 EHADRM CCOc1ccc2cc(C(=O)Nc3ccc(C)c(C(=O)[O-])c3)[nH]c2c1 ZINC000236884030 960789420 /nfs/dbraw/zinc/78/94/20/960789420.db2.gz LARUGSMFEOHPGM-UHFFFAOYSA-N -1 0 338.363 3.826 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NCC2(c3ccc(F)cc3)CCC2)c1 ZINC001574318074 960801998 /nfs/dbraw/zinc/80/19/98/960801998.db2.gz JZOQOTFNMMVKEN-UHFFFAOYSA-N -1 0 341.382 3.684 20 0 EHADRM CC[C@@H](C)[C@@H](C(=O)Nc1nc(CC(=O)[O-])cs1)c1ccccc1 ZINC000236932783 960804645 /nfs/dbraw/zinc/80/46/45/960804645.db2.gz LYUZNSCDBOBZMH-IAQYHMDHSA-N -1 0 332.425 3.539 20 0 EHADRM CC[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])o2)CC[C@H]1c1ccccc1 ZINC000236956138 960811406 /nfs/dbraw/zinc/81/14/06/960811406.db2.gz QGPVLLVIISDWHH-UKRRQHHQSA-N -1 0 327.380 3.634 20 0 EHADRM CC[C@@H](CNC(=O)c1ccc(C(=O)[O-])cc1)Oc1ccccc1Cl ZINC000236976262 960820656 /nfs/dbraw/zinc/82/06/56/960820656.db2.gz CHFHEDWXSZFLNZ-AWEZNQCLSA-N -1 0 347.798 3.626 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CSc1ccccc1Cl ZINC000237031785 960844844 /nfs/dbraw/zinc/84/48/44/960844844.db2.gz FGWFTPRIIOTVJN-UHFFFAOYSA-N -1 0 349.839 3.789 20 0 EHADRM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)C(CC)(CC)C(=O)[O-] ZINC001573809268 960870004 /nfs/dbraw/zinc/87/00/04/960870004.db2.gz MDUCIICOWZBODY-CQSZACIVSA-N -1 0 325.836 3.668 20 0 EHADRM Cc1cc(F)c(Br)cc1OC(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC001574330621 960878930 /nfs/dbraw/zinc/87/89/30/960878930.db2.gz FMMGUWQQKVIIQL-LLVKDONJSA-N -1 0 347.180 3.549 20 0 EHADRM COc1cc(CNC(=O)c2csc3ccccc23)ccc1C(=O)[O-] ZINC000237323749 960909073 /nfs/dbraw/zinc/90/90/73/960909073.db2.gz XDVSVYAMBOCIOO-UHFFFAOYSA-N -1 0 341.388 3.538 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)NCCCc1ccccc1)C(=O)[O-] ZINC000237373600 960919274 /nfs/dbraw/zinc/91/92/74/960919274.db2.gz FNOWSIRFGRTHMK-CQSZACIVSA-N -1 0 343.448 3.614 20 0 EHADRM CC[C@@H](OC(=O)c1coc(/C=C\C(=O)[O-])c1)c1ccc(OC)cc1 ZINC001573814093 960921216 /nfs/dbraw/zinc/92/12/16/960921216.db2.gz TZOWYUWMTBRGKY-HLRDLLSLSA-N -1 0 330.336 3.694 20 0 EHADRM C[C@H](CC(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000237381876 960921343 /nfs/dbraw/zinc/92/13/43/960921343.db2.gz WNXQOJVTUWVWPF-DDTOSNHZSA-N -1 0 343.345 3.569 20 0 EHADRM C[C@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1cc2ccccc2o1 ZINC000237399555 960927463 /nfs/dbraw/zinc/92/74/63/960927463.db2.gz WGAITAKNMINKHA-ZDUSSCGKSA-N -1 0 337.375 3.893 20 0 EHADRM C[C@H](CC(=O)N[C@H]1CCC[C@@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000237405979 960927916 /nfs/dbraw/zinc/92/79/16/960927916.db2.gz IGIIBEOWZGDQGU-SWHYSGLUSA-N -1 0 343.345 3.569 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000237522006 960953744 /nfs/dbraw/zinc/95/37/44/960953744.db2.gz JQCSYQSKQQUEIZ-LJWDBELGSA-N -1 0 344.238 3.542 20 0 EHADRM Cc1cc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c(C)n1C1CC1 ZINC000237532163 960955532 /nfs/dbraw/zinc/95/55/32/960955532.db2.gz BLSYGZRUGXYUNS-SCLBCKFNSA-N -1 0 340.423 3.632 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cc2c(s1)CCCC2)c1ccccc1 ZINC000237533521 960956633 /nfs/dbraw/zinc/95/66/33/960956633.db2.gz MRQBUTPDCYIZQN-YVEFUNNKSA-N -1 0 343.448 3.819 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000237596026 960970005 /nfs/dbraw/zinc/97/00/05/960970005.db2.gz UYWXYFNMBVFXHJ-JTQLQIEISA-N -1 0 337.297 3.895 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000237639979 960981322 /nfs/dbraw/zinc/98/13/22/960981322.db2.gz XOFHWRLEFXOFQW-DLBZAZTESA-N -1 0 339.391 3.509 20 0 EHADRM CC(C)(C)n1c2ccccc2nc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC001320763022 960985866 /nfs/dbraw/zinc/98/58/66/960985866.db2.gz KTPBCHTYOMVHPF-UHFFFAOYSA-N -1 0 331.416 3.621 20 0 EHADRM Cc1ccc(C(=O)N2CCCc3cc(C(=O)[O-])ccc32)c(F)c1F ZINC001574351256 960989042 /nfs/dbraw/zinc/98/90/42/960989042.db2.gz JEQUDDYCSPRITC-UHFFFAOYSA-N -1 0 331.318 3.564 20 0 EHADRM CCc1oc2ccccc2c1C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001321954202 961005620 /nfs/dbraw/zinc/00/56/20/961005620.db2.gz PCZQNDRQYUTMDH-ZDUSSCGKSA-N -1 0 343.423 3.958 20 0 EHADRM Cc1ccc(-c2nc(C)c(C(=O)Nc3cccc(C(=O)[O-])c3)s2)o1 ZINC000237766647 961020281 /nfs/dbraw/zinc/02/02/81/961020281.db2.gz SSCUPTGUDDTLFJ-UHFFFAOYSA-N -1 0 342.376 3.970 20 0 EHADRM Cc1c2ccccc2oc1C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000237841475 961034320 /nfs/dbraw/zinc/03/43/20/961034320.db2.gz ONVKJDCMBQKQTQ-GFCCVEGCSA-N -1 0 329.377 3.749 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2Cl)s1 ZINC000237977599 961062751 /nfs/dbraw/zinc/06/27/51/961062751.db2.gz YLPMCRIOKWNMTQ-GFCCVEGCSA-N -1 0 349.839 3.947 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)Cc2cc(Cl)ccc2Cl)C1 ZINC000238003130 961070809 /nfs/dbraw/zinc/07/08/09/961070809.db2.gz NDFDSEYDNPDIBY-LLVKDONJSA-N -1 0 344.238 3.639 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)CCCCCc2cccs2)C1 ZINC000237999982 961071020 /nfs/dbraw/zinc/07/10/20/961071020.db2.gz HBKLAGTYEPBHGI-OAHLLOKOSA-N -1 0 337.485 3.954 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)c3n[nH]c4ccccc43)ccc2s1 ZINC000238005895 961072718 /nfs/dbraw/zinc/07/27/18/961072718.db2.gz ARXGVJDKDZGSDM-UHFFFAOYSA-N -1 0 337.360 3.728 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCC2CCC(c3ccccc3)CC2)o1 ZINC000238012257 961074591 /nfs/dbraw/zinc/07/45/91/961074591.db2.gz PQZCMQYDLJCLQU-UHFFFAOYSA-N -1 0 327.380 3.682 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)c1 ZINC000238033197 961082855 /nfs/dbraw/zinc/08/28/55/961082855.db2.gz XSSASCIBHWPKQE-JKSUJKDBSA-N -1 0 345.782 3.546 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(COCc3ccco3)c2)o1 ZINC000238053565 961087946 /nfs/dbraw/zinc/08/79/46/961087946.db2.gz COTUFAFGSLLILD-UHFFFAOYSA-N -1 0 341.319 3.540 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)cc1 ZINC000238053158 961088094 /nfs/dbraw/zinc/08/80/94/961088094.db2.gz YPZIUBSDICLZHT-CYBMUJFWSA-N -1 0 341.260 3.557 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000238106246 961098714 /nfs/dbraw/zinc/09/87/14/961098714.db2.gz CXBWZMBUZOEGIS-UHFFFAOYSA-N -1 0 345.223 3.934 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)N1CCCC[C@H]1CCC(=O)[O-])[C@H](C)C2 ZINC001574382679 961121081 /nfs/dbraw/zinc/12/10/81/961121081.db2.gz VUFBEYXJNCQQLV-ALKREAHSSA-N -1 0 344.455 3.657 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1cccc2c3c([nH]c21)CCCC3 ZINC000238133592 961121927 /nfs/dbraw/zinc/12/19/27/961121927.db2.gz CWKNNKDKOKFLKD-UHFFFAOYSA-N -1 0 342.439 3.812 20 0 EHADRM O=C([O-])c1n[nH]c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc21 ZINC000238154802 961134502 /nfs/dbraw/zinc/13/45/02/961134502.db2.gz QCMSDAYRWPMWLK-UHFFFAOYSA-N -1 0 349.268 3.532 20 0 EHADRM CC(C)(C)Sc1cc(-c2nc(C3(C(=O)[O-])CCC3)no2)ccn1 ZINC001588738262 961138709 /nfs/dbraw/zinc/13/87/09/961138709.db2.gz HHHCAAWPKGMJSJ-UHFFFAOYSA-N -1 0 333.413 3.529 20 0 EHADRM CCCN(CC)c1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC001573855102 961147476 /nfs/dbraw/zinc/14/74/76/961147476.db2.gz WVYMKPITCAVXHN-UHFFFAOYSA-N -1 0 340.423 3.551 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)c2ccc(Cl)s2)cc1 ZINC000238203233 961157077 /nfs/dbraw/zinc/15/70/77/961157077.db2.gz XRYKNXHIONJLQT-UHFFFAOYSA-N -1 0 325.773 3.507 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)NCc2ccccc2C(=O)[O-])c1C ZINC001574389203 961157576 /nfs/dbraw/zinc/15/75/76/961157576.db2.gz MIOMUUDZHBAEBC-CQSZACIVSA-N -1 0 326.396 3.562 20 0 EHADRM CC(C)(C)c1ccc(CSCC(=O)N2CCC[C@@]2(C)C(=O)[O-])cc1 ZINC001588741100 961166767 /nfs/dbraw/zinc/16/67/67/961166767.db2.gz MZZGXALLSXXHTC-IBGZPJMESA-N -1 0 349.496 3.683 20 0 EHADRM CC(C)(C)c1ccccc1Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001588741626 961173286 /nfs/dbraw/zinc/17/32/86/961173286.db2.gz HNURLIGSSZFNMU-UHFFFAOYSA-N -1 0 326.396 3.542 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2cc3c(ccc(C)c3C)[nH]2)C(=O)[O-])c1 ZINC001574390965 961179219 /nfs/dbraw/zinc/17/92/19/961179219.db2.gz GSHJXPBQGYILEZ-SFHVURJKSA-N -1 0 336.391 3.649 20 0 EHADRM Cc1ccc2c(c1)S[C@H](C(=O)NCC1(CC(=O)[O-])CCCCC1)C2 ZINC001327797403 961180078 /nfs/dbraw/zinc/18/00/78/961180078.db2.gz OAXVEYQDICOGBN-INIZCTEOSA-N -1 0 347.480 3.553 20 0 EHADRM Cc1cccc([C@H](NC(=O)NC[C@H](CC(C)C)C(=O)[O-])C(C)C)c1 ZINC001574392178 961188046 /nfs/dbraw/zinc/18/80/46/961188046.db2.gz QKTPLXDKPISZKM-DLBZAZTESA-N -1 0 334.460 3.738 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)C1 ZINC000245745595 961191154 /nfs/dbraw/zinc/19/11/54/961191154.db2.gz SKUZVSHTEAQBAL-SQWLQELKSA-N -1 0 335.831 3.895 20 0 EHADRM Cc1cccc(NC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1C ZINC001574396934 961212583 /nfs/dbraw/zinc/21/25/83/961212583.db2.gz DWOMYOGTSCSWEP-DLBZAZTESA-N -1 0 338.407 3.636 20 0 EHADRM Cc1cccc(CSCC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC001574398760 961227789 /nfs/dbraw/zinc/22/77/89/961227789.db2.gz UYONRFSLDMHOID-HNNXBMFYSA-N -1 0 337.485 3.624 20 0 EHADRM CC(C)(C(=O)N[C@H]1CC=C(C(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC001329291801 961263275 /nfs/dbraw/zinc/26/32/75/961263275.db2.gz GQUSIGWAJWZPPF-NSHDSACASA-N -1 0 342.222 3.561 20 0 EHADRM Cc1cncc(CCC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)c1 ZINC001574410672 961277730 /nfs/dbraw/zinc/27/77/30/961277730.db2.gz JHGAPJZLDNRGTA-UHFFFAOYSA-N -1 0 344.436 3.600 20 0 EHADRM Cc1coc(C(=O)Nc2sc3c(c2C(=O)[O-])C[C@@H](C)O[C@@H]3C)c1 ZINC001574412755 961303872 /nfs/dbraw/zinc/30/38/72/961303872.db2.gz UJDCTTODBSGIJQ-RKDXNWHRSA-N -1 0 335.381 3.622 20 0 EHADRM CC(C)(CNC(=O)[C@H](C(=O)[O-])C1CCCC1)c1cccc(Cl)c1 ZINC001588780255 961309479 /nfs/dbraw/zinc/30/94/79/961309479.db2.gz XQWDZEAJZAGINM-OAHLLOKOSA-N -1 0 337.847 3.625 20 0 EHADRM Cc1nc(-c2ccccc2)sc1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001574418860 961341128 /nfs/dbraw/zinc/34/11/28/961341128.db2.gz YOXJQGYWXYRMMN-QWHCGFSZSA-N -1 0 330.409 3.558 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000261618240 961383553 /nfs/dbraw/zinc/38/35/53/961383553.db2.gz CSCXJPLWHXBAEF-UONOGXRCSA-N -1 0 325.364 3.918 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000261856370 961395382 /nfs/dbraw/zinc/39/53/82/961395382.db2.gz VWIATOLMTHFALM-JKSUJKDBSA-N -1 0 339.391 3.705 20 0 EHADRM CCOc1ccc(C[C@H](C)C(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC001573919531 961518857 /nfs/dbraw/zinc/51/88/57/961518857.db2.gz CYUOXRBVPMUYMK-RDJZCZTQSA-N -1 0 347.455 3.510 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001588812870 961532409 /nfs/dbraw/zinc/53/24/09/961532409.db2.gz QIOJHAKNNPQVIH-XLIONFOSSA-N -1 0 331.456 3.605 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@@H](c2ccccc2)C(C)C)cc1C(=O)[O-] ZINC000262222232 961567540 /nfs/dbraw/zinc/56/75/40/961567540.db2.gz VNNKDKRGKXYWLR-QGZVFWFLSA-N -1 0 329.396 3.684 20 0 EHADRM CC(C)[C@H](CCc1ccccc1)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001588815387 961567790 /nfs/dbraw/zinc/56/77/90/961567790.db2.gz OCXJEZRXEFPNCC-ROUUACIJSA-N -1 0 331.456 3.605 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC000262245926 961587960 /nfs/dbraw/zinc/58/79/60/961587960.db2.gz UWBXBTJREWLJDS-UHFFFAOYSA-N -1 0 341.382 3.505 20 0 EHADRM Cc1ccccc1C(C)(C)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000262358830 961668908 /nfs/dbraw/zinc/66/89/08/961668908.db2.gz GKMSZJMZVBACJK-UHFFFAOYSA-N -1 0 325.408 3.929 20 0 EHADRM CC(C)(C(=O)NC1CC(CC(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC001333359813 961699355 /nfs/dbraw/zinc/69/93/55/961699355.db2.gz YHWMWUHXRPFPLY-UHFFFAOYSA-N -1 0 344.238 3.641 20 0 EHADRM CCc1nccc(C)c1NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001573964719 961709476 /nfs/dbraw/zinc/70/94/76/961709476.db2.gz UAOVJOMSQKZWGM-UHFFFAOYSA-N -1 0 327.384 3.614 20 0 EHADRM CC(C)(C(=O)Nc1cccc(CCC(=O)[O-])c1)c1cccc(F)c1 ZINC000262471376 961740492 /nfs/dbraw/zinc/74/04/92/961740492.db2.gz ZAMMHFZANLFIST-UHFFFAOYSA-N -1 0 329.371 3.759 20 0 EHADRM Cc1oc(CN(C)C(=O)c2cc3c(s2)CC[C@H](C)C3)cc1C(=O)[O-] ZINC000262485386 961746558 /nfs/dbraw/zinc/74/65/58/961746558.db2.gz LDNXMGADCXWHBS-JTQLQIEISA-N -1 0 347.436 3.745 20 0 EHADRM CC(C)Cc1nc(C(=O)Nc2cccc(CCC(=O)[O-])c2)cs1 ZINC000262483528 961747235 /nfs/dbraw/zinc/74/72/35/961747235.db2.gz IHQSOLCSZKFIMG-UHFFFAOYSA-N -1 0 332.425 3.611 20 0 EHADRM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC000262495206 961751078 /nfs/dbraw/zinc/75/10/78/961751078.db2.gz ZYFVMEKLENPMSC-HIFRSBDPSA-N -1 0 341.382 3.851 20 0 EHADRM CN(C(=O)c1coc(/C=C\C(=O)[O-])c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC001573982907 961777275 /nfs/dbraw/zinc/77/72/75/961777275.db2.gz HKUMDNZDPMAODO-MRJODMTISA-N -1 0 345.317 3.571 20 0 EHADRM O=C([O-])c1ccc2[nH]cc(C3CCN(C(=O)CC4CCC4)CC3)c2c1 ZINC001334214650 961786952 /nfs/dbraw/zinc/78/69/52/961786952.db2.gz NDYNXOUXCBAGCH-UHFFFAOYSA-N -1 0 340.423 3.762 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262703094 961815158 /nfs/dbraw/zinc/81/51/58/961815158.db2.gz IQPTZAMZMJSLFV-BZUAXINKSA-N -1 0 331.456 3.750 20 0 EHADRM CC(C)[C@H]1c2ccccc2CCN1C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001588842821 961830181 /nfs/dbraw/zinc/83/01/81/961830181.db2.gz PKLPBLWDXSTKDP-KRWDZBQOSA-N -1 0 339.395 3.567 20 0 EHADRM CC[C@@H](C)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000262744794 961843718 /nfs/dbraw/zinc/84/37/18/961843718.db2.gz AKEBNVAQHUNBRB-MFKMUULPSA-N -1 0 342.233 3.517 20 0 EHADRM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262754031 961848873 /nfs/dbraw/zinc/84/88/73/961848873.db2.gz YQTXTDKHMGRLHQ-IHRRRGAJSA-N -1 0 329.396 3.843 20 0 EHADRM CC(C)CC(CC(C)C)C(=O)Nc1nc2ccccn2c1C(=O)[O-] ZINC001588846368 961875216 /nfs/dbraw/zinc/87/52/16/961875216.db2.gz IAWGSDCUZCOQTH-UHFFFAOYSA-N -1 0 331.416 3.679 20 0 EHADRM Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc1Cl ZINC000262807122 961878084 /nfs/dbraw/zinc/87/80/84/961878084.db2.gz DDWYHGSUDSKFTD-JKSUJKDBSA-N -1 0 343.810 3.589 20 0 EHADRM CC(C)C[C@H](C)CC(=O)Nc1sc2c(c1C(=O)[O-])COCC2 ZINC001588846541 961878468 /nfs/dbraw/zinc/87/84/68/961878468.db2.gz RIJFBWYELLSKRB-JTQLQIEISA-N -1 0 325.430 3.530 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCc2ccc3[nH]ccc3c2)c(F)c1 ZINC001574525486 961879357 /nfs/dbraw/zinc/87/93/57/961879357.db2.gz MVRLUELLFMJBAP-UHFFFAOYSA-N -1 0 326.327 3.577 20 0 EHADRM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c1 ZINC000262821323 961887966 /nfs/dbraw/zinc/88/79/66/961887966.db2.gz AWGBVLRULSJFRW-KBPBESRZSA-N -1 0 327.380 3.589 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)N[C@@H]1CCC[C@H](c2ccccc2)CC1 ZINC001574004758 961888691 /nfs/dbraw/zinc/88/86/91/961888691.db2.gz OATFAOMOPLIPKC-DLBZAZTESA-N -1 0 332.444 3.609 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1noc2c1CCCCC2 ZINC000262840453 961905590 /nfs/dbraw/zinc/90/55/90/961905590.db2.gz SAWYMHATUBWGHP-UHFFFAOYSA-N -1 0 328.368 3.511 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N1CC[C@@H](C)C2(CCCCC2)C1)C(=O)[O-] ZINC001588850522 961921943 /nfs/dbraw/zinc/92/19/43/961921943.db2.gz PFEFHPSZYUIIKT-CVEARBPZSA-N -1 0 338.492 3.735 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)OCc1cccc(C(F)(F)F)c1 ZINC001574537589 961922750 /nfs/dbraw/zinc/92/27/50/961922750.db2.gz CAJZCTXWTNTLEM-UHFFFAOYSA-N -1 0 338.281 3.690 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)NCc1ccc(-c2ccccc2)o1 ZINC001574538438 961932203 /nfs/dbraw/zinc/93/22/03/961932203.db2.gz MOMHHNMNHJYOOX-UHFFFAOYSA-N -1 0 335.359 3.504 20 0 EHADRM O=C([O-])CC1(NC(=O)c2ccc(SC(F)F)cc2)CCCC1 ZINC000262869413 961941030 /nfs/dbraw/zinc/94/10/30/961941030.db2.gz JKULNEOUMQNCEW-UHFFFAOYSA-N -1 0 329.368 3.519 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCc2ccccc2[C@H]1C(C)C)C(=O)[O-] ZINC001588852513 961943783 /nfs/dbraw/zinc/94/37/83/961943783.db2.gz OOFMWPJNJRBHPA-SJLPKXTDSA-N -1 0 346.471 3.698 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)/C=C\SCc2ccco2)cc1 ZINC001337289668 961980166 /nfs/dbraw/zinc/98/01/66/961980166.db2.gz ROTYNFFEYJXNDX-SIJIIQCFSA-N -1 0 345.420 3.667 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)Nc2ccc(COC3CCCC3)cc2)CC1 ZINC000262935631 962019668 /nfs/dbraw/zinc/01/96/68/962019668.db2.gz MTQCRBUBJXKEHV-WKILWMFISA-N -1 0 345.439 3.975 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000262940308 962024193 /nfs/dbraw/zinc/02/41/93/962024193.db2.gz HPWCFXCGDXZSNC-CJNGLKHVSA-N -1 0 349.393 3.849 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)c(F)c1 ZINC001588867731 962030736 /nfs/dbraw/zinc/03/07/36/962030736.db2.gz HNVXPKDEVSXSFA-GOSISDBHSA-N -1 0 337.391 3.690 20 0 EHADRM CC(C)CCOc1ccccc1NC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC001588868103 962039539 /nfs/dbraw/zinc/03/95/39/962039539.db2.gz VWQSCIYCVBGXGV-LSDHHAIUSA-N -1 0 348.443 3.686 20 0 EHADRM CC(C)CC1(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)CCC1 ZINC000262980151 962070229 /nfs/dbraw/zinc/07/02/29/962070229.db2.gz UHPBPKMPDJKBIQ-IAGOWNOFSA-N -1 0 329.440 3.530 20 0 EHADRM CC(C)c1ccc(C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000262984020 962075241 /nfs/dbraw/zinc/07/52/41/962075241.db2.gz UQSZOMPTHCWRKH-QGZVFWFLSA-N -1 0 329.371 3.547 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CCCCC[C@@H]1c1ccccc1 ZINC000263002059 962096157 /nfs/dbraw/zinc/09/61/57/962096157.db2.gz RFUFTFVBMIKSCF-MRXNPFEDSA-N -1 0 341.407 3.973 20 0 EHADRM Cc1cc(Br)oc1C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001340794807 962112427 /nfs/dbraw/zinc/11/24/27/962112427.db2.gz HGFHBNXVAYIPEZ-UHFFFAOYSA-N -1 0 338.157 3.609 20 0 EHADRM COc1ccc2cc([C@H](C)C(=O)NCCC(C)(C)C(=O)[O-])ccc2c1 ZINC000263016427 962121001 /nfs/dbraw/zinc/12/10/01/962121001.db2.gz NMJGHWSMQBDHBA-ZDUSSCGKSA-N -1 0 343.423 3.569 20 0 EHADRM CC(C)COc1ccccc1C(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001588880251 962136140 /nfs/dbraw/zinc/13/61/40/962136140.db2.gz BZJAYMJADNTILY-HNNXBMFYSA-N -1 0 335.444 3.588 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)NC2(c3ccccc3Cl)CCC2)c1 ZINC001574599676 962152711 /nfs/dbraw/zinc/15/27/11/962152711.db2.gz STDXZYFRFRXCPZ-UHFFFAOYSA-N -1 0 345.786 3.634 20 0 EHADRM Cc1cccc(NC(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)c1F ZINC000263043459 962168709 /nfs/dbraw/zinc/16/87/09/962168709.db2.gz MEHZJSVAVCGELL-OAHLLOKOSA-N -1 0 344.386 3.732 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC001574607963 962182320 /nfs/dbraw/zinc/18/23/20/962182320.db2.gz ZNSIALJEHUZSJI-OAHLLOKOSA-N -1 0 343.358 3.582 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@H](C)Cn1ccc2ccccc21)CC(=O)[O-] ZINC001588887763 962190824 /nfs/dbraw/zinc/19/08/24/962190824.db2.gz ZKHWTCNPQWPFKW-CVEARBPZSA-N -1 0 344.455 3.531 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)Nc2cccc(C(F)F)c2Cl)C1 ZINC000263058079 962196060 /nfs/dbraw/zinc/19/60/60/962196060.db2.gz OCXZXHNBOGCJLU-CQSZACIVSA-N -1 0 332.734 3.606 20 0 EHADRM CCC(CC)[C@H](C)C(=O)N[C@](C)(CC(=O)[O-])c1cccc(OC)c1 ZINC000263062090 962202010 /nfs/dbraw/zinc/20/20/10/962202010.db2.gz BHOXMOCQMCQWBH-ORAYPTAESA-N -1 0 335.444 3.574 20 0 EHADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)CC1CCC(c2ccccc2)CC1 ZINC000263066208 962206639 /nfs/dbraw/zinc/20/66/39/962206639.db2.gz BSPIDKBTZKQXMP-HRSCSKTISA-N -1 0 329.440 3.672 20 0 EHADRM C[C@@H](C1CC1)n1cc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)cn1 ZINC000263071257 962212325 /nfs/dbraw/zinc/21/23/25/962212325.db2.gz PXUCEHAPRIETDD-LBPRGKRZSA-N -1 0 342.399 3.515 20 0 EHADRM CC[C@@H](C(=O)Nc1cc(COC)cc(C(=O)[O-])c1)c1ccccc1 ZINC000263075502 962217218 /nfs/dbraw/zinc/21/72/18/962217218.db2.gz KHXUAHCXWOGEGZ-QGZVFWFLSA-N -1 0 327.380 3.664 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1snc2ccccc21)CC(=O)[O-] ZINC001588894188 962221516 /nfs/dbraw/zinc/22/15/16/962221516.db2.gz MIUZABFCLWLUFI-NSHDSACASA-N -1 0 335.429 3.555 20 0 EHADRM Cc1ccc(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)cc1 ZINC000263085387 962232959 /nfs/dbraw/zinc/23/29/59/962232959.db2.gz LWYMWACEFNFQSJ-DLBZAZTESA-N -1 0 343.810 3.589 20 0 EHADRM CC1(C)C[C@H](C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CCO1 ZINC001345122826 962236115 /nfs/dbraw/zinc/23/61/15/962236115.db2.gz RRUMUVZQTFUMTN-GFCCVEGCSA-N -1 0 327.380 3.682 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1cnc(-c2ccccc2)s1)C1CCCC1 ZINC001574621365 962252639 /nfs/dbraw/zinc/25/26/39/962252639.db2.gz PLRDXBQMJGOZEU-CQSZACIVSA-N -1 0 330.409 3.640 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)CCCc2ccc3ccccc3c2)C1 ZINC000263104794 962256309 /nfs/dbraw/zinc/25/63/09/962256309.db2.gz WTMNJOMDHWLLQU-OAQYLSRUSA-N -1 0 339.435 3.876 20 0 EHADRM CC[C@H](C)CC(=O)N[C@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000263109958 962262365 /nfs/dbraw/zinc/26/23/65/962262365.db2.gz JMXQXQOJTQFNGK-GXFFZTMASA-N -1 0 347.333 3.653 20 0 EHADRM CC(C)(C)c1ccc(OCC(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000263119190 962272262 /nfs/dbraw/zinc/27/22/62/962272262.db2.gz CSJAZDUBPJFXEV-UHFFFAOYSA-N -1 0 341.407 3.629 20 0 EHADRM CC1(c2cc(NC(=O)NCc3ccc(C(=O)[O-])cc3)no2)CCCC1 ZINC000263135237 962288813 /nfs/dbraw/zinc/28/88/13/962288813.db2.gz YVVDULBTBPGJAC-UHFFFAOYSA-N -1 0 343.383 3.526 20 0 EHADRM O=C([O-])C1(C(=O)NCC2(c3ccc(Cl)cc3)CCCC2)CCC1 ZINC001574629611 962293471 /nfs/dbraw/zinc/29/34/71/962293471.db2.gz DJYQGCUHGXDANP-UHFFFAOYSA-N -1 0 335.831 3.523 20 0 EHADRM C[C@@H](Oc1cccc2ccccc21)C(=O)NCCCCCCC(=O)[O-] ZINC000263173835 962328096 /nfs/dbraw/zinc/32/80/96/962328096.db2.gz QKNONQQCTHPHFI-OAHLLOKOSA-N -1 0 343.423 3.758 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCC[C@H]2CCCc2ccccc2)C1 ZINC000263182521 962338901 /nfs/dbraw/zinc/33/89/01/962338901.db2.gz HKVACBWNNDBTDC-OTWHNJEPSA-N -1 0 343.467 3.891 20 0 EHADRM CC(C)N(C)c1ccc(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1F ZINC001588915768 962340147 /nfs/dbraw/zinc/34/01/47/962340147.db2.gz YHFIRRCWJWYZBQ-TWGQIWQCSA-N -1 0 346.358 3.613 20 0 EHADRM CC1(C)[C@@H](c2ccccc2)CCN1C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000263184462 962340510 /nfs/dbraw/zinc/34/05/10/962340510.db2.gz KQAXTTPGIMOPEC-BRWVUGGUSA-N -1 0 329.440 3.672 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000263248300 962391538 /nfs/dbraw/zinc/39/15/38/962391538.db2.gz SKUNOPORKYTPIH-GFCCVEGCSA-N -1 0 345.370 3.594 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)CCCCc2cccc(O)c2)cc1 ZINC001347548531 962398373 /nfs/dbraw/zinc/39/83/73/962398373.db2.gz SKGZDSZIEBQMJG-AWEZNQCLSA-N -1 0 341.407 3.932 20 0 EHADRM C[C@@H](C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC000263271827 962409510 /nfs/dbraw/zinc/40/95/10/962409510.db2.gz IFKDUGRIOXBRQO-YJYMSZOUSA-N -1 0 345.826 3.602 20 0 EHADRM Cn1c(C(=O)[O-])ccc1[C@H]1CCCCN1C(=O)/C=C\c1cccs1 ZINC001347623893 962423435 /nfs/dbraw/zinc/42/34/35/962423435.db2.gz IEKIRGGVORPEKM-YYRKOSNBSA-N -1 0 344.436 3.552 20 0 EHADRM O=C([O-])CCCCC(=O)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000263310898 962452203 /nfs/dbraw/zinc/45/22/03/962452203.db2.gz PFSSLGRLKYFLRS-UHFFFAOYSA-N -1 0 344.386 3.568 20 0 EHADRM Cc1ccc(OCCC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c(C)c1 ZINC000263323262 962465720 /nfs/dbraw/zinc/46/57/20/962465720.db2.gz OBXDVWSEXSKLDI-HNNXBMFYSA-N -1 0 341.407 3.899 20 0 EHADRM CC(C)Oc1cccc([C@H](C)NC(=O)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000263334756 962481404 /nfs/dbraw/zinc/48/14/04/962481404.db2.gz NDTMAFYXPXWAGH-AWEZNQCLSA-N -1 0 341.407 3.592 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2ccccc2OCC2CC2)cc1 ZINC000263344012 962494662 /nfs/dbraw/zinc/49/46/62/962494662.db2.gz STVINZGRUOACRM-CYBMUJFWSA-N -1 0 339.391 3.916 20 0 EHADRM CC(C)Oc1cc(O)ccc1NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001588935917 962504584 /nfs/dbraw/zinc/50/45/84/962504584.db2.gz GXQUIGPDZPWYEF-UHFFFAOYSA-N -1 0 348.330 3.661 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)NCCc2cc3ccccc3s2)co1 ZINC001574666026 962510411 /nfs/dbraw/zinc/51/04/11/962510411.db2.gz QHDVGHKJUHJZGE-WAYWQWQTSA-N -1 0 341.388 3.565 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2SCCc3ccccc32)cc1 ZINC000263356427 962512175 /nfs/dbraw/zinc/51/21/75/962512175.db2.gz XDSMJECRZZMILO-SJKOYZFVSA-N -1 0 341.432 3.844 20 0 EHADRM CCCOc1cc(C)ccc1NC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000263360392 962516372 /nfs/dbraw/zinc/51/63/72/962516372.db2.gz TZDSFLBXQJUFAS-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM CC[C@H](C)NC(=O)c1ccc(NCc2cccc(C(=O)[O-])c2)cc1 ZINC000263391518 962551379 /nfs/dbraw/zinc/55/13/79/962551379.db2.gz FHYCGAJMXLCIAZ-ZDUSSCGKSA-N -1 0 326.396 3.525 20 0 EHADRM O=C([O-])CC[C@H](CC1CCCCC1)NC(=O)CCC1CCOCC1 ZINC000263393313 962555275 /nfs/dbraw/zinc/55/52/75/962555275.db2.gz GXCAVVIGVHTUEG-QGZVFWFLSA-N -1 0 339.476 3.513 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001574677981 962564233 /nfs/dbraw/zinc/56/42/33/962564233.db2.gz JREMHEPMALEFHK-AGIUHOORSA-N -1 0 335.366 3.601 20 0 EHADRM O=C([O-])C1(CNC(=O)c2ccc(-c3ccc(Cl)cc3)s2)CC1 ZINC000263441656 962622094 /nfs/dbraw/zinc/62/20/94/962622094.db2.gz MKDZSQKGNXAQJG-UHFFFAOYSA-N -1 0 335.812 3.663 20 0 EHADRM CCCC[C@H](NC(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000263455860 962643571 /nfs/dbraw/zinc/64/35/71/962643571.db2.gz UODMRIQDXZTPOP-NSHDSACASA-N -1 0 337.725 3.732 20 0 EHADRM Cc1ccc(NC(=O)C(C)C)cc1NCc1cccc(C(=O)[O-])c1 ZINC000263495758 962680159 /nfs/dbraw/zinc/68/01/59/962680159.db2.gz STMUVMULTFTTBV-UHFFFAOYSA-N -1 0 326.396 3.900 20 0 EHADRM CN(C(=O)NC1CCC(C(=O)[O-])CC1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000263499747 962683092 /nfs/dbraw/zinc/68/30/92/962683092.db2.gz VCNPPGSGCZXMBM-ZGUYJTEBSA-N -1 0 344.455 3.608 20 0 EHADRM C[C@H](C(=O)N(C)C(C)(C)CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001354052364 962705352 /nfs/dbraw/zinc/70/53/52/962705352.db2.gz UJRFTZZLYZIRME-JTQLQIEISA-N -1 0 331.334 3.521 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000263528811 962710179 /nfs/dbraw/zinc/71/01/79/962710179.db2.gz LJYZCNDSSVLSPY-NVXWUHKLSA-N -1 0 327.355 3.590 20 0 EHADRM CC[C@@H](CN(CC)C(=O)Cc1ccccc1C(=O)[O-])c1ccccc1 ZINC000263569435 962735600 /nfs/dbraw/zinc/73/56/00/962735600.db2.gz HMTMXRRERRMJGQ-INIZCTEOSA-N -1 0 339.435 3.970 20 0 EHADRM COc1ccccc1[C@H](CC(C)C)NC(=O)c1cc(C(=O)[O-])co1 ZINC000263575193 962739004 /nfs/dbraw/zinc/73/90/04/962739004.db2.gz OQODKLMQJCEECM-AWEZNQCLSA-N -1 0 331.368 3.504 20 0 EHADRM CC(C)N(CC(=O)[O-])Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000263580237 962745755 /nfs/dbraw/zinc/74/57/55/962745755.db2.gz VSKPMQFSZLAPCF-UHFFFAOYSA-N -1 0 338.860 3.682 20 0 EHADRM C/C(=C/c1cccnc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001573340228 962898285 /nfs/dbraw/zinc/89/82/85/962898285.db2.gz NDBVMXSHBLJPGX-CLFYSBASSA-N -1 0 334.734 3.614 20 0 EHADRM COc1ccc(F)cc1C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001574212660 962920248 /nfs/dbraw/zinc/92/02/48/962920248.db2.gz JNXYCKFAGGBIFM-UHFFFAOYSA-N -1 0 349.383 3.725 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC[C@H]1C(=O)[O-] ZINC000313753310 963679085 /nfs/dbraw/zinc/67/90/85/963679085.db2.gz GMOABQPUALHSPV-WCBMZHEXSA-N -1 0 331.199 3.568 20 0 EHADRM O=C([O-])[C@H](NC(=O)Cc1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000314482914 963759395 /nfs/dbraw/zinc/75/93/95/963759395.db2.gz AFODYVHLSJTYNF-OAHLLOKOSA-N -1 0 344.238 3.686 20 0 EHADRM C[C@@H](NCc1ccc(Br)s1)c1ncc(C(=O)[O-])s1 ZINC000314686024 963790708 /nfs/dbraw/zinc/79/07/08/963790708.db2.gz SDUHVKBTTZIUPS-ZCFIWIBFSA-N -1 0 347.259 3.516 20 0 EHADRM C[C@@H](NCc1cccc(C(F)(F)F)c1)c1ncc(C(=O)[O-])s1 ZINC000314731099 963799369 /nfs/dbraw/zinc/79/93/69/963799369.db2.gz AFWVRANGMMPPEQ-MRVPVSSYSA-N -1 0 330.331 3.711 20 0 EHADRM CC[C@@H](CNC(=O)Nc1ccc(C(F)(F)F)cc1Cl)C(=O)[O-] ZINC000315926614 963954909 /nfs/dbraw/zinc/95/49/09/963954909.db2.gz QLHRYCPTMUHEHN-ZETCQYMHSA-N -1 0 338.713 3.591 20 0 EHADRM O=C([O-])CCC(=O)Nc1ccc(Sc2nc3ccccc3[nH]2)cc1 ZINC000238093252 967786810 /nfs/dbraw/zinc/78/68/10/967786810.db2.gz AWCSSQJWZLSSDO-UHFFFAOYSA-N -1 0 341.392 3.517 20 0 EHADRM C[C@@H](NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1cccc2ccccc21 ZINC000263095418 967845809 /nfs/dbraw/zinc/84/58/09/967845809.db2.gz APMUASKWNOEWOS-FMKPAKJESA-N -1 0 340.423 3.653 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2c[nH]cc2-c2ccc(F)cc2)C1 ZINC000263117989 967849432 /nfs/dbraw/zinc/84/94/32/967849432.db2.gz KHEFWQPHSDKZKX-ZDUSSCGKSA-N -1 0 344.386 3.538 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)CCCc2ccc3ccccc3c2)C1 ZINC000263325439 967871553 /nfs/dbraw/zinc/87/15/53/967871553.db2.gz KLUVDCSWGSOOSC-DNVCBOLYSA-N -1 0 339.435 3.732 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000263390756 967886020 /nfs/dbraw/zinc/88/60/20/967886020.db2.gz YPZXKJZLJUOAPI-PSASIEDQSA-N -1 0 349.736 3.542 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(Cl)cc2Cl)CC[C@H]1C(=O)[O-] ZINC000313840564 967962713 /nfs/dbraw/zinc/96/27/13/967962713.db2.gz KFXKOXJWCVMEEO-WCBMZHEXSA-N -1 0 331.199 3.568 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)c2ccc(SC(F)(F)F)cc2)CC1 ZINC000320947466 968010814 /nfs/dbraw/zinc/01/08/14/968010814.db2.gz UEEXQHOTOMFDBF-UHFFFAOYSA-N -1 0 347.358 3.625 20 0 EHADRM C[C@@H]1CCCN(C(=O)c2ccc(CCC(F)(F)F)cc2)[C@@H]1C(=O)[O-] ZINC000424256265 968352877 /nfs/dbraw/zinc/35/28/77/968352877.db2.gz MKQDJNGSERRUSM-RISCZKNCSA-N -1 0 343.345 3.507 20 0 EHADRM CC(C)C[C@H](CNC(=O)N(C)Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000424406398 968363714 /nfs/dbraw/zinc/36/37/14/968363714.db2.gz QNRKANDDENXFRP-GOSISDBHSA-N -1 0 342.439 3.728 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000532874994 968400929 /nfs/dbraw/zinc/40/09/29/968400929.db2.gz AAKUDEVOJBHVCV-HOTGVXAUSA-N -1 0 347.455 3.599 20 0 EHADRM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C1(CC(=O)[O-])CCC1 ZINC000565042845 968423185 /nfs/dbraw/zinc/42/31/85/968423185.db2.gz CAHIPYZQIHSVHQ-UHFFFAOYSA-N -1 0 330.211 3.597 20 0 EHADRM CC(C)C[C@H](NC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000571759127 968447214 /nfs/dbraw/zinc/44/72/14/968447214.db2.gz BCNTZJWRBHHBNF-UAGQMJEPSA-N -1 0 332.444 3.526 20 0 EHADRM C[C@H](c1ncc(C(C)(C)C)o1)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000652470363 968634292 /nfs/dbraw/zinc/63/42/92/968634292.db2.gz VJFHHDNZTNQXHC-DOMZBBRYSA-N -1 0 328.412 3.717 20 0 EHADRM CC[C@H](C(=O)N(CC(=O)[O-])CC1CC1)c1cccc(C(F)(F)F)c1 ZINC000653325757 968660633 /nfs/dbraw/zinc/66/06/33/968660633.db2.gz KYUWSPQHFYOTRT-AWEZNQCLSA-N -1 0 343.345 3.522 20 0 EHADRM CC[C@H](C(=O)NC[C@H](C(=O)[O-])C(C)C)c1cccc(C(F)(F)F)c1 ZINC000655573649 968682936 /nfs/dbraw/zinc/68/29/36/968682936.db2.gz YAOPVBZQSFDNKX-KBPBESRZSA-N -1 0 345.361 3.672 20 0 EHADRM C[C@@H](NC(=O)CCc1ccc(Cl)s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655580995 968686614 /nfs/dbraw/zinc/68/66/14/968686614.db2.gz HVBZOOFTCCSQLU-ADEWGFFLSA-N -1 0 343.876 3.586 20 0 EHADRM CC(C)[C@@H](NC(=O)NCC1(C(=O)[O-])CCC1)c1ccc(Cl)cc1 ZINC000659392169 968729318 /nfs/dbraw/zinc/72/93/18/968729318.db2.gz AXDRLRMUKUTWEA-CQSZACIVSA-N -1 0 338.835 3.591 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc(Cl)cc3ccccc32)C1 ZINC000659764666 968747010 /nfs/dbraw/zinc/74/70/10/968747010.db2.gz MPZWECWSKWMYOO-YPMHNXCESA-N -1 0 331.799 3.676 20 0 EHADRM O=C([O-])C1(C(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)CC=CC1 ZINC000663029352 968761728 /nfs/dbraw/zinc/76/17/28/968761728.db2.gz KLVMLNVCLFXRSS-IBGZPJMESA-N -1 0 347.414 3.582 20 0 EHADRM C[C@H](c1nc(C2CC2)no1)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000682185320 968869814 /nfs/dbraw/zinc/86/98/14/968869814.db2.gz STSFTMYVNIEYNX-GFCCVEGCSA-N -1 0 341.411 3.586 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000899310190 969417850 /nfs/dbraw/zinc/41/78/50/969417850.db2.gz CASOACAOARTRGL-INIZCTEOSA-N -1 0 345.443 3.538 20 0 EHADRM CCOCCOCc1cccc(NCc2ccc(C(=O)[O-])s2)c1 ZINC000903673775 969582167 /nfs/dbraw/zinc/58/21/67/969582167.db2.gz HRLZHCMIZLNHEM-UHFFFAOYSA-N -1 0 335.425 3.612 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1nc(-c2ccccc2)oc1C(C)C)C(=O)[O-] ZINC001116310168 969661784 /nfs/dbraw/zinc/66/17/84/969661784.db2.gz JHCDVLXBDPOCCO-CQSZACIVSA-N -1 0 344.411 3.694 20 0 EHADRM C[C@H](C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21)c1ccc(F)c(F)c1 ZINC001348551762 969766519 /nfs/dbraw/zinc/76/65/19/969766519.db2.gz VJLGDBFENDKANB-SMDDNHRTSA-N -1 0 345.345 3.673 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000317402226 970355610 /nfs/dbraw/zinc/35/56/10/970355610.db2.gz GWYVXHRIRIGMPK-UHFFFAOYSA-N -1 0 325.698 3.877 20 0 EHADRM C[C@@H](NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)c1ccsc1 ZINC000317411707 970357073 /nfs/dbraw/zinc/35/70/73/970357073.db2.gz IABYINZMYQAMDH-SSDOTTSWSA-N -1 0 326.324 3.607 20 0 EHADRM O=C([O-])Cc1ccccc1CNC(=O)c1cc2sccc2s1 ZINC000318888585 970485727 /nfs/dbraw/zinc/48/57/27/970485727.db2.gz HOARNFFQCSZASK-UHFFFAOYSA-N -1 0 331.418 3.520 20 0 EHADRM C[C@H](Oc1ccccc1F)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000319635194 970556052 /nfs/dbraw/zinc/55/60/52/970556052.db2.gz OGBNBRBPVFOQPL-VIFPVBQESA-N -1 0 337.734 3.583 20 0 EHADRM O=C([O-])c1ccc(OCc2cc(Cl)c3c(c2)OCCCO3)cc1 ZINC000320164725 970624194 /nfs/dbraw/zinc/62/41/94/970624194.db2.gz YEIODTKSDDETHF-UHFFFAOYSA-N -1 0 334.755 3.779 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccc(C(=O)[O-])cc2F)[C@H]1c1ccncc1 ZINC001610047777 970646186 /nfs/dbraw/zinc/64/61/86/970646186.db2.gz WZYNCQHZNITEBP-HNNXBMFYSA-N -1 0 343.358 3.534 20 0 EHADRM O=C([O-])c1cc(NC(=O)NCc2ccccc2Cl)c(F)cc1F ZINC000320347670 970651595 /nfs/dbraw/zinc/65/15/95/970651595.db2.gz KJZKBUFQVKVCFG-UHFFFAOYSA-N -1 0 340.713 3.638 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1csc(-c2ccco2)n1 ZINC000320550877 970677563 /nfs/dbraw/zinc/67/75/63/970677563.db2.gz CZYUHWAFMLWMBL-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM C[C@H](c1ccccc1)N(C)C(=O)CSc1ccc(C(=O)[O-])cc1 ZINC000320553306 970677894 /nfs/dbraw/zinc/67/78/94/970677894.db2.gz DKAUTWQXULQBKV-CYBMUJFWSA-N -1 0 329.421 3.697 20 0 EHADRM Cc1cc(NC(=O)CCCOc2ccc(F)cc2)sc1C(=O)[O-] ZINC000320690789 970699541 /nfs/dbraw/zinc/69/95/41/970699541.db2.gz QHVFELCIFXXNFZ-UHFFFAOYSA-N -1 0 337.372 3.692 20 0 EHADRM O=C([O-])[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000320690415 970700067 /nfs/dbraw/zinc/70/00/67/970700067.db2.gz DOVCOAPVBDQAOM-GFCCVEGCSA-N -1 0 341.251 3.544 20 0 EHADRM Cc1cc(NC(=O)c2ccc3ccccc3c2O)sc1C(=O)[O-] ZINC000320722364 970705592 /nfs/dbraw/zinc/70/55/92/970705592.db2.gz WBYRSPYTUHQLBD-UHFFFAOYSA-N -1 0 327.361 3.866 20 0 EHADRM CN(Cc1ccccc1Cl)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000320824308 970720708 /nfs/dbraw/zinc/72/07/08/970720708.db2.gz MWXGHMVAJBPBNR-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)Nc2ccccc2SC(F)F)C1 ZINC000320841293 970721860 /nfs/dbraw/zinc/72/18/60/970721860.db2.gz GCHQHOTUIOOGSG-HNNXBMFYSA-N -1 0 344.383 3.720 20 0 EHADRM CC(C)(C)c1nc(CN2CCc3ccccc3[C@@H]2C(=O)[O-])cs1 ZINC000320892489 970727158 /nfs/dbraw/zinc/72/71/58/970727158.db2.gz SYDGHNFPSKBWMP-OAHLLOKOSA-N -1 0 330.453 3.625 20 0 EHADRM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001603287475 972533410 /nfs/dbraw/zinc/53/34/10/972533410.db2.gz YABFUZLFRMUYHD-FBIMIBRVSA-N -1 0 345.226 3.559 20 0 EHADRM CCCOc1cccc(C(=O)N(CCC(=O)[O-])c2ccccc2C)c1 ZINC000393066142 972560454 /nfs/dbraw/zinc/56/04/54/972560454.db2.gz XKTYSGPGTNBAFA-UHFFFAOYSA-N -1 0 341.407 3.905 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@@H]2CCCc3ccc(Cl)cc32)ccn1 ZINC001605868683 972632364 /nfs/dbraw/zinc/63/23/64/972632364.db2.gz LSWRAZAGXFGPII-CQSZACIVSA-N -1 0 345.786 3.632 20 0 EHADRM CC1(C)CCc2c(sc(NC(=O)c3cccnc3)c2C(=O)[O-])C1 ZINC001603328772 972683189 /nfs/dbraw/zinc/68/31/89/972683189.db2.gz FSYOLBLXIULUQA-UHFFFAOYSA-N -1 0 330.409 3.609 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N(C)CCc2cccs2)cc1 ZINC000396348734 972859548 /nfs/dbraw/zinc/85/95/48/972859548.db2.gz CAKPJIZGOIQDGX-LBPRGKRZSA-N -1 0 332.425 3.643 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N(C)Cc2ccccc2F)cc1 ZINC000396359537 972865466 /nfs/dbraw/zinc/86/54/66/972865466.db2.gz IBDBEGNUMYOEJE-GFCCVEGCSA-N -1 0 330.359 3.678 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cnc(-c3ccccc3)nc2)CCCCCC1 ZINC001605942542 972893443 /nfs/dbraw/zinc/89/34/43/972893443.db2.gz ZZORUUCIJAFFCX-UHFFFAOYSA-N -1 0 339.395 3.507 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)C2(CC(=O)[O-])CCC2)C[C@H](c2ccccc2)C1 ZINC001603375275 972919929 /nfs/dbraw/zinc/91/99/29/972919929.db2.gz OFBXMFNOCNNRLK-USXIJHARSA-N -1 0 329.440 3.720 20 0 EHADRM Cc1cccc(OCCC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c1C ZINC000396637704 972927836 /nfs/dbraw/zinc/92/78/36/972927836.db2.gz PFYVYVGDETWJOY-HNNXBMFYSA-N -1 0 341.407 3.899 20 0 EHADRM Cc1ccc(CC(C)(C)NC(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC001605263990 973042755 /nfs/dbraw/zinc/04/27/55/973042755.db2.gz BISQJILBDXDNHK-UHFFFAOYSA-N -1 0 340.423 3.514 20 0 EHADRM Cc1ccc(F)cc1[C@@H](C)OC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001605284645 973083773 /nfs/dbraw/zinc/08/37/73/973083773.db2.gz NIMRULJYZRWIPL-GFCCVEGCSA-N -1 0 332.327 3.516 20 0 EHADRM C[C@H]1CCCc2ccccc2[C@H]1NC(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001603416407 973114635 /nfs/dbraw/zinc/11/46/35/973114635.db2.gz OTMSBZFSIXKEIQ-SJCJKPOMSA-N -1 0 339.395 3.615 20 0 EHADRM Cc1ccc2nc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])ccc2c1 ZINC001605314706 973143728 /nfs/dbraw/zinc/14/37/28/973143728.db2.gz KKZVZUKGBBXRGB-INIZCTEOSA-N -1 0 328.412 3.553 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)c[nH]2)C[C@H]1C(=O)[O-] ZINC001603425332 973145757 /nfs/dbraw/zinc/14/57/57/973145757.db2.gz LBTWUBJOAPPCCM-XHDPSFHLSA-N -1 0 346.814 3.518 20 0 EHADRM Cc1ccc2occ(CC(=O)N[C@H]3C[C@H](C(=O)[O-])c4ccccc43)c2c1 ZINC001605315170 973146166 /nfs/dbraw/zinc/14/61/66/973146166.db2.gz XOCREWWSCMZODJ-ROUUACIJSA-N -1 0 349.386 3.713 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc3c(ccc4ccccc34)[nH]2)C[C@H]1C(=O)[O-] ZINC001603426101 973154399 /nfs/dbraw/zinc/15/43/99/973154399.db2.gz ZCFFLBLALDMKJJ-BLLLJJGKSA-N -1 0 336.391 3.504 20 0 EHADRM Cc1cccc([C@@H](NCc2cscc2Br)C(=O)[O-])c1 ZINC001605328846 973189768 /nfs/dbraw/zinc/18/97/68/973189768.db2.gz FCJPFBLSVOFKAV-CYBMUJFWSA-N -1 0 340.242 3.735 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2ccc(C(F)(F)F)cc2)C(=O)[O-])c1 ZINC001605329200 973194355 /nfs/dbraw/zinc/19/43/55/973194355.db2.gz VJRMAIMQASZERU-AWEZNQCLSA-N -1 0 337.297 3.570 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cc(Cl)cc(Cl)c2F)CC[C@@H]1C(=O)[O-] ZINC001603450028 973245755 /nfs/dbraw/zinc/24/57/55/973245755.db2.gz JRIMXCDFTXEHBK-CBAPKCEASA-N -1 0 349.189 3.707 20 0 EHADRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)Oc2cccc(C3CCCC3)c2)CO1 ZINC001606116785 973344443 /nfs/dbraw/zinc/34/44/43/973344443.db2.gz OQDBVIRZKLCCHP-HZPDHXFCSA-N -1 0 332.396 3.520 20 0 EHADRM Cc1csc(Nc2cccc(NC(=O)C3(C(=O)[O-])CC=CC3)c2)n1 ZINC001605385827 973352036 /nfs/dbraw/zinc/35/20/36/973352036.db2.gz DBNMGONKPLTDFT-UHFFFAOYSA-N -1 0 343.408 3.555 20 0 EHADRM COC(C)(C)c1nc(C)c(C(=O)Nc2c(C)cccc2C(=O)[O-])s1 ZINC001604473211 973364313 /nfs/dbraw/zinc/36/43/13/973364313.db2.gz RMVAQLQJKZJYER-UHFFFAOYSA-N -1 0 348.424 3.592 20 0 EHADRM C[C@H]1Cc2cc(NC(=O)Nc3cccc(CCC(=O)[O-])c3)ccc2O1 ZINC001603476895 973372892 /nfs/dbraw/zinc/37/28/92/973372892.db2.gz ZUSYMMCJXMNDGA-LBPRGKRZSA-N -1 0 340.379 3.671 20 0 EHADRM O=C([O-])CC[C@H]1Cc2ccccc2N(C(=O)C=C2CCSCC2)C1 ZINC001606135837 973385261 /nfs/dbraw/zinc/38/52/61/973385261.db2.gz VFSBFYLXKNVOIH-HNNXBMFYSA-N -1 0 345.464 3.510 20 0 EHADRM Cc1nc2sc3c(c2c(N([C@H](C)C(=O)[O-])C2CC2)n1)CCCCC3 ZINC001605408902 973409187 /nfs/dbraw/zinc/40/91/87/973409187.db2.gz QZDXLCDJNFTISH-SNVBAGLBSA-N -1 0 345.468 3.711 20 0 EHADRM CCC(=O)c1ccc(C(=O)N2CCCc3cc(C(=O)[O-])ccc32)cc1 ZINC001603486515 973412448 /nfs/dbraw/zinc/41/24/48/973412448.db2.gz WUJCYGGWZJHWRG-UHFFFAOYSA-N -1 0 337.375 3.571 20 0 EHADRM CCC(=O)c1ccc(NC(=O)N[C@H](C(=O)[O-])c2cccc(C)c2)cc1 ZINC001603486557 973413851 /nfs/dbraw/zinc/41/38/51/973413851.db2.gz YQJMKKQLDAIULM-KRWDZBQOSA-N -1 0 340.379 3.535 20 0 EHADRM O=C([O-])CCCCOC(=O)c1csc(-c2ccc(F)c(F)c2)n1 ZINC001606171739 973418774 /nfs/dbraw/zinc/41/87/74/973418774.db2.gz AXKIHRDUSOZRHL-UHFFFAOYSA-N -1 0 341.335 3.500 20 0 EHADRM O=C([O-])CN(C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)C1CCC1 ZINC001606216200 973468506 /nfs/dbraw/zinc/46/85/06/973468506.db2.gz OAGKWXYYBJHRLU-UONOGXRCSA-N -1 0 342.222 3.563 20 0 EHADRM O=C([O-])CN(C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)C1CCC1 ZINC001606216198 973468545 /nfs/dbraw/zinc/46/85/45/973468545.db2.gz OAGKWXYYBJHRLU-KBPBESRZSA-N -1 0 342.222 3.563 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])C(F)(F)F ZINC001603511315 973506514 /nfs/dbraw/zinc/50/65/14/973506514.db2.gz UQRXBEFFBKEFLD-GARJFASQSA-N -1 0 340.386 3.542 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)NCc1ccccc1C(=O)[O-] ZINC001603515824 973523995 /nfs/dbraw/zinc/52/39/95/973523995.db2.gz HBLAWSOZIUKRJV-AWEZNQCLSA-N -1 0 341.407 3.594 20 0 EHADRM CC[C@@H](CC(=O)N1CCC[C@@](CC)(C(=O)[O-])C1)c1ccc(OC)cc1 ZINC001603516730 973536456 /nfs/dbraw/zinc/53/64/56/973536456.db2.gz UQXOXRHWQCLENB-MGPUTAFESA-N -1 0 347.455 3.682 20 0 EHADRM CC[C@@H](CNC(=O)c1ccccc1Nc1ccc(C)cc1)C(=O)[O-] ZINC001603567575 973698268 /nfs/dbraw/zinc/69/82/68/973698268.db2.gz FCCKPEJNDKGOKH-AWEZNQCLSA-N -1 0 326.396 3.579 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cc(C(=O)[O-])ccc2F)CCc2ccccc21 ZINC000404798726 973750725 /nfs/dbraw/zinc/75/07/25/973750725.db2.gz UMTGDKMTEFCMSI-GFCCVEGCSA-N -1 0 342.370 3.718 20 0 EHADRM C[C@@H]1CN(C(=O)CC2(CC(=O)[O-])CCCC2)CCc2ccccc21 ZINC000404813427 973752739 /nfs/dbraw/zinc/75/27/39/973752739.db2.gz JGBRLTYOWLBQMJ-OAHLLOKOSA-N -1 0 329.440 3.600 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1 ZINC001603593760 973808873 /nfs/dbraw/zinc/80/88/73/973808873.db2.gz NJNBLJTWHMLQEU-XOYOTBSWSA-N -1 0 347.455 3.611 20 0 EHADRM CCC1(NC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)CCCCC1 ZINC001603616831 973895022 /nfs/dbraw/zinc/89/50/22/973895022.db2.gz ARBZFCNWWPSWLV-JKSUJKDBSA-N -1 0 330.428 3.712 20 0 EHADRM CCC1(CC)CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c2ccccc21 ZINC001603612113 973895478 /nfs/dbraw/zinc/89/54/78/973895478.db2.gz ZVRYRLHWISVWHT-KGLIPLIRSA-N -1 0 330.428 3.527 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCC2CCC(c3ccccc3)CC2)C1 ZINC000414448376 973939599 /nfs/dbraw/zinc/93/95/99/973939599.db2.gz RRQNEQCKZVPQKL-DQVOVIAYSA-N -1 0 329.440 3.578 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cc3n[nH]cc3c(C(F)(F)F)c2)cc1 ZINC001606478627 973957440 /nfs/dbraw/zinc/95/74/40/973957440.db2.gz KRJHUXANOUTUOC-UHFFFAOYSA-N -1 0 349.268 3.532 20 0 EHADRM C[C@@H]1CCc2nc(CN[C@H](CC3CCCCC3)C(=O)[O-])sc2C1 ZINC000417611948 973965057 /nfs/dbraw/zinc/96/50/57/973965057.db2.gz QKJCDBMIAAGSDY-IUODEOHRSA-N -1 0 336.501 3.781 20 0 EHADRM C[C@@H](Cc1ccc(NCc2ccc(Br)o2)cc1)C(=O)[O-] ZINC000417611913 973965103 /nfs/dbraw/zinc/96/51/03/973965103.db2.gz QCMDZUHQNINZIG-JTQLQIEISA-N -1 0 338.201 3.917 20 0 EHADRM COc1ccc(CNc2ccc(C(C)(C)C(=O)[O-])cc2)c(C)c1OC ZINC000417624995 973965138 /nfs/dbraw/zinc/96/51/38/973965138.db2.gz LCEAUTRGDHOQNJ-UHFFFAOYSA-N -1 0 343.423 3.987 20 0 EHADRM CCCCOCC(=O)Nc1sc2c(c1C(=O)[O-])CCC(C)(C)C2 ZINC001603649486 974013264 /nfs/dbraw/zinc/01/32/64/974013264.db2.gz YRVUGSLJQXHPQV-UHFFFAOYSA-N -1 0 339.457 3.716 20 0 EHADRM CCC(CC)(CNC(=O)N1CC2(CCC2)[C@H]1c1ccccc1)C(=O)[O-] ZINC000424433754 974032996 /nfs/dbraw/zinc/03/29/96/974032996.db2.gz SKWIRGMTQBPRFZ-MRXNPFEDSA-N -1 0 344.455 3.814 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cc(Br)c(C)s1 ZINC000425238654 974039496 /nfs/dbraw/zinc/03/94/96/974039496.db2.gz JHYTVQRSNGKLLT-UHFFFAOYSA-N -1 0 348.262 3.582 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000425250557 974042038 /nfs/dbraw/zinc/04/20/38/974042038.db2.gz WGAJZKUAQDNPFA-OAHLLOKOSA-N -1 0 343.423 3.822 20 0 EHADRM COCc1cc(NC(=O)C/C=C/c2ccc(F)cc2)cc(C(=O)[O-])c1 ZINC000427708356 974056651 /nfs/dbraw/zinc/05/66/51/974056651.db2.gz YDTZIOCCUWHSBI-NSCUHMNNSA-N -1 0 343.354 3.712 20 0 EHADRM CCCOc1cccc(CCNC(=O)C2(C(=O)[O-])CCCCCC2)c1 ZINC001603680263 974070924 /nfs/dbraw/zinc/07/09/24/974070924.db2.gz GRXPEQHSCRVXHT-UHFFFAOYSA-N -1 0 347.455 3.559 20 0 EHADRM O=C([O-])[C@@H](NC(=O)C[C@H]1CCCc2ccccc21)c1ccc(F)cc1 ZINC001605670061 974079088 /nfs/dbraw/zinc/07/90/88/974079088.db2.gz FJVPBTBCPMPEAX-BEFAXECRSA-N -1 0 341.382 3.578 20 0 EHADRM COc1ccc2c(CC(=O)Nc3ccccc3C(=O)[O-])coc2c1C ZINC001604842740 974079484 /nfs/dbraw/zinc/07/94/84/974079484.db2.gz CXXLUGJBLQSKAD-UHFFFAOYSA-N -1 0 339.347 3.629 20 0 EHADRM Cc1nc(C(=O)Nc2ccc(CC(=O)[O-])cc2)c(-c2ccccc2)o1 ZINC000431985287 974081110 /nfs/dbraw/zinc/08/11/10/974081110.db2.gz IGKHALACXWYTAL-UHFFFAOYSA-N -1 0 336.347 3.529 20 0 EHADRM CN(C(=O)c1ccc(OC(C)(C)C)cc1)C1(C(=O)[O-])CCCCC1 ZINC000431996409 974082544 /nfs/dbraw/zinc/08/25/44/974082544.db2.gz WMGQIUYUDDJMRD-UHFFFAOYSA-N -1 0 333.428 3.723 20 0 EHADRM CCc1sc(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)cc1C ZINC000432088085 974084390 /nfs/dbraw/zinc/08/43/90/974084390.db2.gz HJXZACHHICAZNB-OAHLLOKOSA-N -1 0 345.464 3.825 20 0 EHADRM CN(Cc1ccc(Cl)c(F)c1)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000432099378 974085425 /nfs/dbraw/zinc/08/54/25/974085425.db2.gz QOFCMIVDSLRHIA-UHFFFAOYSA-N -1 0 339.725 3.589 20 0 EHADRM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000432100927 974086805 /nfs/dbraw/zinc/08/68/05/974086805.db2.gz WGOAEALNINIKJE-APPDUMDISA-N -1 0 327.355 3.577 20 0 EHADRM CC(C)Sc1ccc(C(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])cc1 ZINC000432114859 974089239 /nfs/dbraw/zinc/08/92/39/974089239.db2.gz LMEARQPLRGKQRH-MAUKXSAKSA-N -1 0 335.469 3.950 20 0 EHADRM C[C@]1(NC(=O)CSc2ccccc2Cl)CCCC[C@H]1C(=O)[O-] ZINC000432124247 974090200 /nfs/dbraw/zinc/09/02/00/974090200.db2.gz YTCXSVHEYAPOBD-ZBEGNZNMSA-N -1 0 341.860 3.582 20 0 EHADRM Cc1cc(C)cc([C@H]2CCN(C(=O)c3ccc(C(=O)[O-])s3)C2)c1 ZINC000432138164 974092314 /nfs/dbraw/zinc/09/23/14/974092314.db2.gz WNMRJZABMJBIFW-ZDUSSCGKSA-N -1 0 329.421 3.693 20 0 EHADRM C[C@@]1(NC(=O)c2ccc(Cl)c(Cl)c2)CCCC[C@H]1C(=O)[O-] ZINC000432138028 974092438 /nfs/dbraw/zinc/09/24/38/974092438.db2.gz HSHYHEJZMYZTPT-ZUZCIYMTSA-N -1 0 330.211 3.757 20 0 EHADRM C[C@@]1(NC(=O)c2ccc(Cl)c(Cl)c2)CCCC[C@@H]1C(=O)[O-] ZINC000432138025 974092847 /nfs/dbraw/zinc/09/28/47/974092847.db2.gz HSHYHEJZMYZTPT-MEBBXXQBSA-N -1 0 330.211 3.757 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000439707519 974108111 /nfs/dbraw/zinc/10/81/11/974108111.db2.gz MUGGSXZKMIEHGQ-CJNGLKHVSA-N -1 0 341.432 3.630 20 0 EHADRM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(C2CCC2)cc1 ZINC000439919647 974112993 /nfs/dbraw/zinc/11/29/93/974112993.db2.gz LHIRNNNJPFYNGN-IBGZPJMESA-N -1 0 335.403 3.606 20 0 EHADRM Cc1cc(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)ccc1Cl ZINC000439927425 974113212 /nfs/dbraw/zinc/11/32/12/974113212.db2.gz UHBFSICMBQUQKA-MRXNPFEDSA-N -1 0 345.826 3.854 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000442752433 974119561 /nfs/dbraw/zinc/11/95/61/974119561.db2.gz ROUDZAVBZUODDJ-ZJUUUORDSA-N -1 0 332.227 3.809 20 0 EHADRM CSCc1cccc(CNC(=O)CC2(CC(=O)[O-])CCCC2)c1 ZINC000445489472 974121347 /nfs/dbraw/zinc/12/13/47/974121347.db2.gz YRAOMSSVENRTKL-UHFFFAOYSA-N -1 0 335.469 3.591 20 0 EHADRM C[C@@H](C(=O)N[C@@](C)(CC(=O)[O-])c1cccc(F)c1)c1ccccc1F ZINC000448988575 974129301 /nfs/dbraw/zinc/12/93/01/974129301.db2.gz DXBQCOMSWKUOGA-BLVKFPJESA-N -1 0 347.361 3.575 20 0 EHADRM COc1cccc2cc(CN[C@@H](C(=O)[O-])c3cccc(C)c3)oc21 ZINC001604876690 974129683 /nfs/dbraw/zinc/12/96/83/974129683.db2.gz MLUAEDRWGCPQIN-QGZVFWFLSA-N -1 0 325.364 3.665 20 0 EHADRM CCN(C(=O)Nc1cccc2c(Cl)c(C)cnc12)[C@H](C)C(=O)[O-] ZINC001603716599 974144584 /nfs/dbraw/zinc/14/45/84/974144584.db2.gz QBKZUGCJGUNLEZ-SNVBAGLBSA-N -1 0 335.791 3.524 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000450517878 974147045 /nfs/dbraw/zinc/14/70/45/974147045.db2.gz OTTWIWCVUGMCHT-CQSZACIVSA-N -1 0 347.386 3.524 20 0 EHADRM CC[C@H](C(=O)N[C@H](C)[C@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC000455958247 974180267 /nfs/dbraw/zinc/18/02/67/974180267.db2.gz VTZMUVHEMGXACB-MNEFBYGVSA-N -1 0 339.435 3.628 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1coc(-c2ccccc2)n1 ZINC000472002526 974199431 /nfs/dbraw/zinc/19/94/31/974199431.db2.gz NDCYWKIMJHJLPQ-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM CC(C)(CNC(=O)c1ccc(C(=O)[O-])cc1F)Cc1ccccc1 ZINC000478841376 974210063 /nfs/dbraw/zinc/21/00/63/974210063.db2.gz QAOLTBOFKHBXJH-UHFFFAOYSA-N -1 0 329.371 3.523 20 0 EHADRM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000478848340 974210921 /nfs/dbraw/zinc/21/09/21/974210921.db2.gz AOMLCYRWBFDCOO-QGZVFWFLSA-N -1 0 347.361 3.660 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCCCc3ccccc32)c(F)c1 ZINC000478859428 974213184 /nfs/dbraw/zinc/21/31/84/974213184.db2.gz RYLDPHKXDMNQKH-UHFFFAOYSA-N -1 0 327.355 3.897 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCC2(c3ccccc3)CCCC2)c(F)c1 ZINC000478865466 974214040 /nfs/dbraw/zinc/21/40/40/974214040.db2.gz MRASLZJWFRYEHQ-UHFFFAOYSA-N -1 0 341.382 3.766 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)/C=C/c1nc2ccccc2s1 ZINC000492179701 974257866 /nfs/dbraw/zinc/25/78/66/974257866.db2.gz HRNWGUSSTWWWHF-CMDGGOBGSA-N -1 0 338.388 3.955 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000515671716 974301446 /nfs/dbraw/zinc/30/14/46/974301446.db2.gz UHZDTSVVSMQSQR-OAHLLOKOSA-N -1 0 343.398 3.855 20 0 EHADRM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1nc2ccccc2n1C(F)F ZINC000530180058 974364934 /nfs/dbraw/zinc/36/49/34/974364934.db2.gz QGOQMTGWBRRZSV-GHMZBOCLSA-N -1 0 337.370 3.505 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000532004469 974371392 /nfs/dbraw/zinc/37/13/92/974371392.db2.gz DYAURQPTJSSWSI-HNNXBMFYSA-N -1 0 347.455 3.558 20 0 EHADRM CCOc1ccc([C@@H](C)OC(=O)c2coc(/C=C/C(=O)[O-])c2)cc1 ZINC001603869525 974372273 /nfs/dbraw/zinc/37/22/73/974372273.db2.gz KKBUUQKEWNDXSK-IDVQTMNDSA-N -1 0 330.336 3.694 20 0 EHADRM C[C@H]1CCCC[C@H]1CC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000539572433 974395305 /nfs/dbraw/zinc/39/53/05/974395305.db2.gz DGUFQZKCVHTBEV-RYUDHWBXSA-N -1 0 339.819 3.958 20 0 EHADRM COc1ccc(O)c(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)c1 ZINC000539606327 974397698 /nfs/dbraw/zinc/39/76/98/974397698.db2.gz WJEKCFPVEAFVFF-UHFFFAOYSA-N -1 0 343.360 3.566 20 0 EHADRM CSCc1cccc(NC(=O)CCc2ccccc2C(=O)[O-])c1 ZINC000540774469 974407587 /nfs/dbraw/zinc/40/75/87/974407587.db2.gz IKYVIXBMTXORAW-UHFFFAOYSA-N -1 0 329.421 3.819 20 0 EHADRM CCc1ccc([C@H](NC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)C(C)C)cc1 ZINC001603969132 974454477 /nfs/dbraw/zinc/45/44/77/974454477.db2.gz ZGWOKGQCNUXMQO-BMGDILEWSA-N -1 0 346.471 3.698 20 0 EHADRM COc1cc(C(=O)[O-])cc(NCc2ccc(Cl)cc2F)c1OC ZINC000551056392 974476989 /nfs/dbraw/zinc/47/69/89/974476989.db2.gz JOQSEQNGQOKVKP-UHFFFAOYSA-N -1 0 339.750 3.807 20 0 EHADRM Cc1oc(CN(C)Cc2coc(-c3ccc(C)cc3)n2)cc1C(=O)[O-] ZINC000566361621 974609464 /nfs/dbraw/zinc/60/94/64/974609464.db2.gz LNRYTQFWOVAVOK-UHFFFAOYSA-N -1 0 340.379 3.882 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000568110335 974662847 /nfs/dbraw/zinc/66/28/47/974662847.db2.gz UTAJFBFWCNZDTD-CPUCHLNUSA-N -1 0 333.428 3.799 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@H](c1ccccc1)c1cccc(F)c1 ZINC000568294780 974667886 /nfs/dbraw/zinc/66/78/86/974667886.db2.gz BVCJJINAWCGNOU-BFUOFWGJSA-N -1 0 329.371 3.532 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N(CCc1ccccc1)c1ccccc1 ZINC000569708720 974697164 /nfs/dbraw/zinc/69/71/64/974697164.db2.gz QPSCAMLCJNVJAQ-MRXNPFEDSA-N -1 0 325.408 3.763 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(NCCCC(C)(F)F)c12 ZINC000569850763 974699912 /nfs/dbraw/zinc/69/99/12/974699912.db2.gz JEEOSPFCYBCYEY-UHFFFAOYSA-N -1 0 329.372 3.854 20 0 EHADRM CC(C)COc1ccc(C(C)(C)NC(=O)C[C@H](C)CC(=O)[O-])cc1 ZINC000571581617 974732660 /nfs/dbraw/zinc/73/26/60/974732660.db2.gz ORMQYYBZKQXUGD-AWEZNQCLSA-N -1 0 335.444 3.574 20 0 EHADRM O=C([O-])[C@H](C[C@H]1CCCc2ccccc21)NC(=O)Nc1ccccc1 ZINC000572223878 974743650 /nfs/dbraw/zinc/74/36/50/974743650.db2.gz ZPGDDPHRFSGEQY-QAPCUYQASA-N -1 0 338.407 3.772 20 0 EHADRM O=C([O-])[C@@H](c1ccsc1)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000572413627 974747355 /nfs/dbraw/zinc/74/73/55/974747355.db2.gz MZOYDAGIGOEYQX-LSDHHAIUSA-N -1 0 337.828 3.601 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1ccc(-c2ccccc2Cl)o1)CC1CC1 ZINC000573731717 974770650 /nfs/dbraw/zinc/77/06/50/974770650.db2.gz IZCYLFWMICJMNG-GFCCVEGCSA-N -1 0 347.798 3.831 20 0 EHADRM Cc1oc(CN(C)Cc2csc(-c3ccco3)n2)cc1C(=O)[O-] ZINC000573975581 974774786 /nfs/dbraw/zinc/77/47/86/974774786.db2.gz YSCMAYOZEYZIJA-UHFFFAOYSA-N -1 0 332.381 3.635 20 0 EHADRM O=C([O-])[C@H](NCc1cccc(F)c1F)c1ccc(Cl)c(F)c1 ZINC000576097894 974808213 /nfs/dbraw/zinc/80/82/13/974808213.db2.gz XAWRIXYRTBODSO-CQSZACIVSA-N -1 0 329.705 3.673 20 0 EHADRM C[C@@H](c1ccc(Oc2ccccc2)cc1)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000576233338 974810340 /nfs/dbraw/zinc/81/03/40/974810340.db2.gz WLHZCTWFOCLWLP-KXBFYZLASA-N -1 0 341.407 3.715 20 0 EHADRM Cc1cc(CN2CCC[C@H](C)[C@@H]2C(=O)[O-])sc1Br ZINC000424413851 1029056849 /nfs/dbraw/zinc/05/68/49/1029056849.db2.gz GFTKSFFFRZPGGM-GZMMTYOYSA-N -1 0 332.263 3.504 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CN1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000577737495 974841739 /nfs/dbraw/zinc/84/17/39/974841739.db2.gz UQQDQFACETVTIV-LRDDRELGSA-N -1 0 331.437 3.717 20 0 EHADRM CC(C)COc1ccc(C(C)(C)CNC(=O)C[C@H](C)CC(=O)[O-])cc1 ZINC000578786362 974862189 /nfs/dbraw/zinc/86/21/89/974862189.db2.gz IGIFHWAPUZLFKU-HNNXBMFYSA-N -1 0 349.471 3.616 20 0 EHADRM Cc1nc(CC(C)C)c(NC(=O)Nc2cccc(CC(=O)[O-])c2)s1 ZINC000580823676 974899769 /nfs/dbraw/zinc/89/97/69/974899769.db2.gz ZCIRNJMBFIHWIS-UHFFFAOYSA-N -1 0 347.440 3.921 20 0 EHADRM CC1(C)COc2c1cccc2C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000581953890 974918381 /nfs/dbraw/zinc/91/83/81/974918381.db2.gz BLPNTZBSYKQZFA-UHFFFAOYSA-N -1 0 339.391 3.626 20 0 EHADRM C[C@@H](CN(C(=O)c1cc2cccc(Cl)c2s1)C1CC1)C(=O)[O-] ZINC000582847261 974932248 /nfs/dbraw/zinc/93/22/48/974932248.db2.gz HMYVBOUACPZYMG-VIFPVBQESA-N -1 0 337.828 3.880 20 0 EHADRM C[C@@H]1CCCC[C@H]1CC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000583418390 974940364 /nfs/dbraw/zinc/94/03/64/974940364.db2.gz CMPSOAXMFAZEFN-NJAFHUGGSA-N -1 0 331.456 3.795 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)Nc1ccccc1Cc1ccccc1)C(=O)[O-] ZINC000597026085 974999495 /nfs/dbraw/zinc/99/94/95/974999495.db2.gz LGBFLEOUNZWTGH-KBPBESRZSA-N -1 0 343.448 3.811 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccs1 ZINC000611826299 975019047 /nfs/dbraw/zinc/01/90/47/975019047.db2.gz KTAYZCOMPBIYBT-AXFHLTTASA-N -1 0 349.374 3.749 20 0 EHADRM CCCC[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)C(C)C ZINC000621537646 975028620 /nfs/dbraw/zinc/02/86/20/975028620.db2.gz XWQQWCQQXNUGHM-FGTMMUONSA-N -1 0 331.456 3.776 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ncc(C(=O)[O-])s1 ZINC000621611459 975060539 /nfs/dbraw/zinc/06/05/39/975060539.db2.gz CVQVNAKPYJFNJB-WUHRBBMRSA-N -1 0 336.457 3.625 20 0 EHADRM C[C@H](CCC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC000621611435 975060887 /nfs/dbraw/zinc/06/08/87/975060887.db2.gz CKHIDMKBLINSRW-NEPJUHHUSA-N -1 0 332.425 3.602 20 0 EHADRM C[C@@H](NC(=O)CC1CC(c2ccccc2)C1)c1ncc(C(=O)[O-])s1 ZINC000621611954 975061325 /nfs/dbraw/zinc/06/13/25/975061325.db2.gz OKFKSVWVETYTHW-LKSINWNRSA-N -1 0 344.436 3.602 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000630097169 975098853 /nfs/dbraw/zinc/09/88/53/975098853.db2.gz GYZDRJVYKMBADQ-ITWBUVANSA-N -1 0 345.414 3.564 20 0 EHADRM Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000630098511 975100055 /nfs/dbraw/zinc/10/00/55/975100055.db2.gz UCQSEPJLEZIEDS-KSZLIROESA-N -1 0 341.382 3.570 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1CC[C@H]1c1ccc(F)cc1)c1cccs1 ZINC000630102792 975101992 /nfs/dbraw/zinc/10/19/92/975101992.db2.gz WACVGWXYCFMUBY-KKUMJFAQSA-N -1 0 347.411 3.713 20 0 EHADRM CCN(C(=O)c1cc(C)c(C(=O)[O-])o1)[C@@H](C)c1cccc(OC)c1 ZINC000630109576 975104602 /nfs/dbraw/zinc/10/46/02/975104602.db2.gz KFIJCUMFCZNIRK-LBPRGKRZSA-N -1 0 331.368 3.518 20 0 EHADRM Cc1cc(C(=O)N2CCCC[C@H]2c2ccc(C)cc2)oc1C(=O)[O-] ZINC000630118073 975108551 /nfs/dbraw/zinc/10/85/51/975108551.db2.gz BUELAHDUQPEEAX-HNNXBMFYSA-N -1 0 327.380 3.962 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1cc(OCc2ccccc2)cs1 ZINC000630132088 975117020 /nfs/dbraw/zinc/11/70/20/975117020.db2.gz LHMFUVFGXHTEJT-UHFFFAOYSA-N -1 0 347.436 3.702 20 0 EHADRM Cc1cc(NC(=O)[C@H]2[C@@H]3c4cccc(Cl)c4C[C@H]23)ccc1C(=O)[O-] ZINC000630138076 975122056 /nfs/dbraw/zinc/12/20/56/975122056.db2.gz BFEIDTNXZOJNKM-USXIJHARSA-N -1 0 341.794 3.871 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000630143963 975127635 /nfs/dbraw/zinc/12/76/35/975127635.db2.gz VBSUAXUYEBYQTM-QZTJIDSGSA-N -1 0 341.382 3.975 20 0 EHADRM CCC[C@H](C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1)c1ccccn1 ZINC000630162336 975137373 /nfs/dbraw/zinc/13/73/73/975137373.db2.gz IHVMALDDEHNCGH-YOEHRIQHSA-N -1 0 340.423 3.867 20 0 EHADRM O=C([O-])c1ccc([C@@H](NC(=O)[C@H]2CCCC23CC3)C(F)(F)F)cc1 ZINC000630191122 975150614 /nfs/dbraw/zinc/15/06/14/975150614.db2.gz QMTALLXYWHRFRQ-CHWSQXEVSA-N -1 0 341.329 3.685 20 0 EHADRM Cc1cc(C(=O)NC2(c3cccc(Cl)c3)CCC2)oc1C(=O)[O-] ZINC000630200616 975157801 /nfs/dbraw/zinc/15/78/01/975157801.db2.gz RTKZRUNIRCIFPY-UHFFFAOYSA-N -1 0 333.771 3.749 20 0 EHADRM Cc1cc(C(=O)N[C@H](C2CCCCC2)C(F)(F)F)oc1C(=O)[O-] ZINC000630215426 975162905 /nfs/dbraw/zinc/16/29/05/975162905.db2.gz VCEJQNMBIDEWOU-GFCCVEGCSA-N -1 0 333.306 3.527 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)NCC(C1CCC1)C1CCC1 ZINC000630229143 975177042 /nfs/dbraw/zinc/17/70/42/975177042.db2.gz MBMUNNAAWYNRJM-UHFFFAOYSA-N -1 0 329.440 3.650 20 0 EHADRM CC[C@H]1CCCC[C@H]1C(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000630242090 975187822 /nfs/dbraw/zinc/18/78/22/975187822.db2.gz PWAREAHRZCQTGF-QWHCGFSZSA-N -1 0 333.403 3.625 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C2CC2)cc1F)C(=O)[O-] ZINC000630260251 975203980 /nfs/dbraw/zinc/20/39/80/975203980.db2.gz IHQCSSABWUQTQC-TUKIKUTGSA-N -1 0 349.402 3.833 20 0 EHADRM CC[C@H](C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1)c1ccccc1 ZINC000630260149 975204217 /nfs/dbraw/zinc/20/42/17/975204217.db2.gz UEEMPRQOCUCINB-WFASDCNBSA-N -1 0 345.370 3.810 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)CC1CCC(F)(F)CC1)C1CCCCC1 ZINC000630264078 975207343 /nfs/dbraw/zinc/20/73/43/975207343.db2.gz AJEHXCQUPCFKJD-AWEZNQCLSA-N -1 0 331.403 3.599 20 0 EHADRM Cc1cc(C(F)F)oc1C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC000630267906 975211905 /nfs/dbraw/zinc/21/19/05/975211905.db2.gz TXXBNYNQIXYZAS-LLVKDONJSA-N -1 0 329.343 3.537 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000630286183 975230335 /nfs/dbraw/zinc/23/03/35/975230335.db2.gz VEFSURRQWWLZLF-FVVUREQNSA-N -1 0 341.451 3.672 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000630294220 975235222 /nfs/dbraw/zinc/23/52/22/975235222.db2.gz HAIUVQJSHRNFBZ-TWPTVVAISA-N -1 0 329.440 3.671 20 0 EHADRM Cc1cc(CNC(=O)C[C@@H](C)CC(=O)[O-])ccc1-c1ccccc1 ZINC000630296810 975236517 /nfs/dbraw/zinc/23/65/17/975236517.db2.gz HYAWFPFKWMQDEC-CQSZACIVSA-N -1 0 325.408 3.779 20 0 EHADRM CCOc1ccc(N(CC2CC2)C(=O)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC000630304452 975241489 /nfs/dbraw/zinc/24/14/89/975241489.db2.gz IDVGPQJVKDXWLW-UHFFFAOYSA-N -1 0 343.379 3.742 20 0 EHADRM CC(C)(C)c1ccc2cc(C(=O)N3C4CCC3(C(=O)[O-])CC4)[nH]c2c1 ZINC000630325344 975253032 /nfs/dbraw/zinc/25/30/32/975253032.db2.gz NVGBRHZYOSJGGC-UHFFFAOYSA-N -1 0 340.423 3.687 20 0 EHADRM CC(C)c1ncc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)s1 ZINC000630329380 975257554 /nfs/dbraw/zinc/25/75/54/975257554.db2.gz YDFUDGMBTFHLQU-QWHCGFSZSA-N -1 0 330.409 3.707 20 0 EHADRM Cc1cc(CNC(=O)[C@H]2CCC[C@H]2Cc2ccccc2)oc1C(=O)[O-] ZINC000630330020 975258047 /nfs/dbraw/zinc/25/80/47/975258047.db2.gz IRKXQOBNDHFGPZ-RDJZCZTQSA-N -1 0 341.407 3.561 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)C2CC(c3ccc(F)cc3)C2)C1 ZINC000634803941 975276983 /nfs/dbraw/zinc/27/69/83/975276983.db2.gz QMSUWFKDMLPAGQ-GPANFISMSA-N -1 0 347.430 3.669 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000634836661 975278138 /nfs/dbraw/zinc/27/81/38/975278138.db2.gz LHGWHQADZZJXSP-KBPBESRZSA-N -1 0 342.395 3.552 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2cccc(C3CCOCC3)c2)CCCC1 ZINC000634850401 975279096 /nfs/dbraw/zinc/27/90/96/975279096.db2.gz YPWVVTMJKZNTSB-UHFFFAOYSA-N -1 0 345.439 3.944 20 0 EHADRM CCN(Cc1ccc2ccccc2c1)C(=O)c1ccc(C(=O)[O-])nc1 ZINC000642042297 975287434 /nfs/dbraw/zinc/28/74/34/975287434.db2.gz BEAGBZVCTQHCBK-UHFFFAOYSA-N -1 0 334.375 3.595 20 0 EHADRM Cc1cc(C(F)(F)F)ccc1CNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000647164995 975357997 /nfs/dbraw/zinc/35/79/97/975357997.db2.gz UZYDTILNCPMMAX-NEPJUHHUSA-N -1 0 343.345 3.521 20 0 EHADRM O=C([O-])c1ccc(N2CCC(c3nc4ccccc4s3)CC2)nc1 ZINC000647445115 975359803 /nfs/dbraw/zinc/35/98/03/975359803.db2.gz XNZSZTOMWGSEBX-UHFFFAOYSA-N -1 0 339.420 3.774 20 0 EHADRM COCc1ccc([C@H]2CCCN2c2ncc(C(=O)[O-])cc2Cl)o1 ZINC000647453101 975364024 /nfs/dbraw/zinc/36/40/24/975364024.db2.gz WVBHZIDDUXGQFN-CYBMUJFWSA-N -1 0 336.775 3.514 20 0 EHADRM Cc1oc(-c2ccccc2)c(C(=O)NCC2(C(=O)[O-])CCCC2)c1C ZINC000649360551 975407406 /nfs/dbraw/zinc/40/74/06/975407406.db2.gz MVCNQQDUCGOBBA-UHFFFAOYSA-N -1 0 341.407 3.938 20 0 EHADRM CSc1cc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)ccc1F ZINC000649364929 975408422 /nfs/dbraw/zinc/40/84/22/975408422.db2.gz XPEVCMUSHKRXTJ-GFCCVEGCSA-N -1 0 339.432 3.511 20 0 EHADRM COc1ccc([C@@H]2CCCN2c2nc(C(=O)[O-])c(C)s2)c(OC)c1 ZINC000649383711 975409577 /nfs/dbraw/zinc/40/95/77/975409577.db2.gz WCVXNWKYIBWXKJ-ZDUSSCGKSA-N -1 0 348.424 3.508 20 0 EHADRM C[C@@H](COCC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1)c1ccccc1 ZINC000652072755 975469504 /nfs/dbraw/zinc/46/95/04/975469504.db2.gz KHFBWHOEGKIKBK-GJZGRUSLSA-N -1 0 341.407 3.634 20 0 EHADRM CC(C)O[C@H](C(=O)NC[C@H](C(=O)[O-])C1CCCCC1)c1ccccc1 ZINC001591686226 975494065 /nfs/dbraw/zinc/49/40/65/975494065.db2.gz JRIDUNCXXGDHDN-ROUUACIJSA-N -1 0 347.455 3.550 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCC[C@@H]2Cc2ccccc2F)s1 ZINC000652121774 975508105 /nfs/dbraw/zinc/50/81/05/975508105.db2.gz VMTFHXWEOMHMGZ-CYBMUJFWSA-N -1 0 347.411 3.823 20 0 EHADRM CC(C)CO[C@H]1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000652440877 975534790 /nfs/dbraw/zinc/53/47/90/975534790.db2.gz DJEBNDKGWYZNAZ-SWLSCSKDSA-N -1 0 346.254 3.866 20 0 EHADRM Cc1ncc(CN(CC(=O)[O-])Cc2ccc(C(F)(F)F)cc2)s1 ZINC000652469301 975543587 /nfs/dbraw/zinc/54/35/87/975543587.db2.gz BCLPESOHKLWFKA-UHFFFAOYSA-N -1 0 344.358 3.557 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2nc(/C=C/c3ccccc3)cs2)C1 ZINC000653298582 975579594 /nfs/dbraw/zinc/57/95/94/975579594.db2.gz VFROEBZCSKJQFM-YESVKVCSSA-N -1 0 342.420 3.753 20 0 EHADRM Cc1ccc(C(C)(C)CN(C)C(=O)c2cccc(CC(=O)[O-])c2)cc1 ZINC000653644462 975613977 /nfs/dbraw/zinc/61/39/77/975613977.db2.gz NULFRVIHQCNXKX-UHFFFAOYSA-N -1 0 339.435 3.672 20 0 EHADRM C[C@]1(C2CC2)CN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CCO1 ZINC000656757685 975684085 /nfs/dbraw/zinc/68/40/85/975684085.db2.gz QZFPLGOTDHTLQG-GDBMZVCRSA-N -1 0 344.238 3.620 20 0 EHADRM C[C@@H]1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C[C@H](C)O1 ZINC000656765412 975696981 /nfs/dbraw/zinc/69/69/81/975696981.db2.gz LJCBFVCLTSSDIR-OLZOCXBDSA-N -1 0 346.452 3.508 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21)c1ccc(F)cc1 ZINC000659118101 975714420 /nfs/dbraw/zinc/71/44/20/975714420.db2.gz UDKOEYJRNAYMLT-UIBIWLFHSA-N -1 0 333.403 3.674 20 0 EHADRM C[C@H](CN(C(=O)c1cc(Cl)cc2ccccc21)C1CC1)C(=O)[O-] ZINC000659141633 975742012 /nfs/dbraw/zinc/74/20/12/975742012.db2.gz DFDYZBHVOXEJBB-LLVKDONJSA-N -1 0 331.799 3.819 20 0 EHADRM O=C([O-])C1(C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)CC2(CCC2)C1 ZINC000659154120 975754189 /nfs/dbraw/zinc/75/41/89/975754189.db2.gz LWWMXINOYHQKGM-GDBMZVCRSA-N -1 0 345.414 3.613 20 0 EHADRM CC(C)Oc1c(NC(=O)/C=C/c2ccccc2)cccc1C(=O)[O-] ZINC001591741754 975758012 /nfs/dbraw/zinc/75/80/12/975758012.db2.gz PSHFERLYVJYWCF-VAWYXSNFSA-N -1 0 325.364 3.824 20 0 EHADRM CC[C@@](CNC(=O)[C@@]1(C)CC=C(C)CC1)(C(=O)[O-])c1ccccc1 ZINC000659160202 975758896 /nfs/dbraw/zinc/75/88/96/975758896.db2.gz GXSCCEGUJGDZER-PMACEKPBSA-N -1 0 329.440 3.672 20 0 EHADRM CC[C@](CNC(=O)[C@H]1CCCC2(CC2)C1)(C(=O)[O-])c1ccccc1 ZINC000659161108 975760445 /nfs/dbraw/zinc/76/04/45/975760445.db2.gz RCUQSDROUPBLNR-MGPUTAFESA-N -1 0 329.440 3.506 20 0 EHADRM CC(C)Oc1c(NC(=O)N2CCC[C@H]3CCC[C@H]32)cccc1C(=O)[O-] ZINC001591743799 975762727 /nfs/dbraw/zinc/76/27/27/975762727.db2.gz CZCRCNCEGGDVED-CZUORRHYSA-N -1 0 346.427 3.968 20 0 EHADRM Cc1ccc(CC(=O)NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)s1 ZINC000659183470 975778692 /nfs/dbraw/zinc/77/86/92/975778692.db2.gz ADKLSPWRDJSBSM-OAHLLOKOSA-N -1 0 343.448 3.534 20 0 EHADRM Cc1ccsc1C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC000659185856 975782905 /nfs/dbraw/zinc/78/29/05/975782905.db2.gz VUUYFYBXSDELCH-CQSZACIVSA-N -1 0 329.421 3.605 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(Cl)cc2F)[C@@H]2CCCC[C@H]12 ZINC000659191068 975788652 /nfs/dbraw/zinc/78/86/52/975788652.db2.gz WNSFXXCQCJJVJQ-LALPHHSUSA-N -1 0 339.794 3.585 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCc2cccc(Cl)c2)[C@H]2CCCC[C@H]12 ZINC000659194327 975794520 /nfs/dbraw/zinc/79/45/20/975794520.db2.gz LPNRQNOYIZEZQL-ZACQAIPSSA-N -1 0 349.858 3.765 20 0 EHADRM CC(C)Oc1c(NC(=O)NCC(C2CC2)C2CC2)cccc1C(=O)[O-] ZINC001591747613 975794898 /nfs/dbraw/zinc/79/48/98/975794898.db2.gz UGSMREISQZDNFW-UHFFFAOYSA-N -1 0 346.427 3.730 20 0 EHADRM CC(C)(CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21)c1ccccc1 ZINC000659196489 975801180 /nfs/dbraw/zinc/80/11/80/975801180.db2.gz VAMSPBGTUOAMIT-FGTMMUONSA-N -1 0 343.467 3.846 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1c2ccccc2C(C)(C)[C@H]1C ZINC000659207896 975817938 /nfs/dbraw/zinc/81/79/38/975817938.db2.gz FWXGUABLGXOENR-GFCCVEGCSA-N -1 0 327.380 3.542 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N2CCCC[C@@H]2CC2CCC2)cc1 ZINC000659232814 975842062 /nfs/dbraw/zinc/84/20/62/975842062.db2.gz PNCQLCOVGQGUTH-GOSISDBHSA-N -1 0 329.440 3.889 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C[C@@H]1CCCC1(F)F ZINC001591762398 975859385 /nfs/dbraw/zinc/85/93/85/975859385.db2.gz VEZXTZORMQWPLG-LBPRGKRZSA-N -1 0 341.354 3.936 20 0 EHADRM CCCCN(C(=O)c1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000663068773 975922797 /nfs/dbraw/zinc/92/27/97/975922797.db2.gz BJOXWMHOFPPVSG-UHFFFAOYSA-N -1 0 327.380 3.597 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)Cc1cccc(C2CC2)c1 ZINC000668266893 975977961 /nfs/dbraw/zinc/97/79/61/975977961.db2.gz ZEAIECQEMMDPSZ-UHFFFAOYSA-N -1 0 337.419 3.610 20 0 EHADRM CCC[C@@](C)(NC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1)C(=O)[O-] ZINC000668269974 975979102 /nfs/dbraw/zinc/97/91/02/975979102.db2.gz XMGFBIXFQSTCLR-MRXNPFEDSA-N -1 0 345.361 3.900 20 0 EHADRM CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1cccc(C(=O)[O-])c1 ZINC000668299006 975991427 /nfs/dbraw/zinc/99/14/27/975991427.db2.gz QHQIMFIBMGOTIE-QGZVFWFLSA-N -1 0 327.380 3.617 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000675000429 976013379 /nfs/dbraw/zinc/01/33/79/976013379.db2.gz REJPGVZEVSESEW-GFCCVEGCSA-N -1 0 335.400 3.818 20 0 EHADRM CCC[C@@](C)(NC(=O)c1cnc(-c2ccc(C)cc2C)s1)C(=O)[O-] ZINC000675968035 976020460 /nfs/dbraw/zinc/02/04/60/976020460.db2.gz DEWKQTFFVQJQJR-GOSISDBHSA-N -1 0 346.452 3.800 20 0 EHADRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1F ZINC000675973308 976022530 /nfs/dbraw/zinc/02/25/30/976022530.db2.gz WHLICMITKUUXNI-UHFFFAOYSA-N -1 0 349.789 3.525 20 0 EHADRM O=C([O-])CN(C(=O)c1cc(Cl)cc(Cl)c1)C1CCCCC1 ZINC000675993720 976025086 /nfs/dbraw/zinc/02/50/86/976025086.db2.gz PUPKPWUZIRKLTP-UHFFFAOYSA-N -1 0 330.211 3.853 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC001591804414 976029307 /nfs/dbraw/zinc/02/93/07/976029307.db2.gz IUOYLWAUQZAMGI-HNNXBMFYSA-N -1 0 348.443 3.876 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cnc(-c2ccc(C)cc2C)s1 ZINC000676561975 976029549 /nfs/dbraw/zinc/02/95/49/976029549.db2.gz BYMJYJIKZAAELT-ZDUSSCGKSA-N -1 0 346.452 3.752 20 0 EHADRM CC(C)(C)OC1CC(CC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])C1 ZINC000909664447 1032090599 /nfs/dbraw/zinc/09/05/99/1032090599.db2.gz GJNYEJCVIDMQLX-UYSNPLJNSA-N -1 0 339.476 3.510 20 0 EHADRM CCSc1ccccc1C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000679101340 976043468 /nfs/dbraw/zinc/04/34/68/976043468.db2.gz JXPXYKPCFGHIJM-CYBMUJFWSA-N -1 0 335.469 3.762 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000679104745 976047462 /nfs/dbraw/zinc/04/74/62/976047462.db2.gz XRJAIRRFMPDWSD-GJZGRUSLSA-N -1 0 349.496 3.764 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000679107467 976048311 /nfs/dbraw/zinc/04/83/11/976048311.db2.gz XYXKYNPRFIRGGH-HZPDHXFCSA-N -1 0 331.456 3.838 20 0 EHADRM Cc1cc(Cl)c(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1C ZINC000683299144 976082404 /nfs/dbraw/zinc/08/24/04/976082404.db2.gz SBBGPPOPEOPEQB-ZDUSSCGKSA-N -1 0 337.828 3.964 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2ccccc2Oc2cccnc2)c1 ZINC000683310980 976084481 /nfs/dbraw/zinc/08/44/81/976084481.db2.gz MNNGLZHQQXOKDN-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccnc(OC3CCC3)c2)ccc1Cl ZINC000683313186 976084846 /nfs/dbraw/zinc/08/48/46/976084846.db2.gz MRMIVLPCARULSK-UHFFFAOYSA-N -1 0 346.770 3.617 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000683320511 976085750 /nfs/dbraw/zinc/08/57/50/976085750.db2.gz QFVLAGHCTUGLRT-OAHLLOKOSA-N -1 0 342.439 3.765 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2cnc3ccsc3c2)cc1 ZINC000683317046 976086280 /nfs/dbraw/zinc/08/62/80/976086280.db2.gz UTZRYYZGTJDMCE-UHFFFAOYSA-N -1 0 326.377 3.566 20 0 EHADRM CC(C)Cc1ccc(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000685023297 976094037 /nfs/dbraw/zinc/09/40/37/976094037.db2.gz JSZOPQMXTLEPKM-OAQYLSRUSA-N -1 0 339.435 3.657 20 0 EHADRM CC(C)c1c(NC(=O)c2cc(C(=O)[O-])co2)cnn1-c1ccccc1 ZINC001591923913 976403511 /nfs/dbraw/zinc/40/35/11/976403511.db2.gz WYJYQXXPIKSLFY-UHFFFAOYSA-N -1 0 339.351 3.539 20 0 EHADRM CC(C)c1cc(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)c(O)c(C(C)C)c1 ZINC001591930395 976420127 /nfs/dbraw/zinc/42/01/27/976420127.db2.gz JGGJYPFJUORFOE-MRXNPFEDSA-N -1 0 335.444 3.868 20 0 EHADRM CC(C)c1cc(C(=O)Oc2ccc(C(=O)[O-])cc2)nn1C(C)(C)C ZINC001591931144 976433410 /nfs/dbraw/zinc/43/34/10/976433410.db2.gz JTNHECJZJQGWNX-UHFFFAOYSA-N -1 0 330.384 3.679 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001591941686 976461009 /nfs/dbraw/zinc/46/10/09/976461009.db2.gz BVFBEZIOWFLXDW-LJQANCHMSA-N -1 0 329.371 3.679 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C)cc1 ZINC001591948498 976500427 /nfs/dbraw/zinc/50/04/27/976500427.db2.gz HDWWJOZELBTQTR-PGFQARHSSA-N -1 0 329.440 3.925 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC001591949090 976504930 /nfs/dbraw/zinc/50/49/30/976504930.db2.gz RALRHXHPGLNXAY-UGZKAYFTSA-N -1 0 329.440 3.783 20 0 EHADRM CC(C)c1ccc(NC(=O)[C@@H]2c3c[nH]nc3CC[C@H]2C)c(C(=O)[O-])c1 ZINC001591962781 976550367 /nfs/dbraw/zinc/55/03/67/976550367.db2.gz QYJGQPWDFNGTMD-DIFFPNOSSA-N -1 0 341.411 3.536 20 0 EHADRM CC(C)c1ccc(NC(=O)[C@H]2CCc3ccccc3O2)c(C(=O)[O-])c1 ZINC001591963279 976552818 /nfs/dbraw/zinc/55/28/18/976552818.db2.gz XVKFSPJTOGVJKV-GOSISDBHSA-N -1 0 339.391 3.841 20 0 EHADRM CC(C)c1ccc(NC(=O)c2ccc(C3CC3)[nH]c2=O)c(C(=O)[O-])c1 ZINC001591967527 976564625 /nfs/dbraw/zinc/56/46/25/976564625.db2.gz DVICZIMGQURETB-UHFFFAOYSA-N -1 0 340.379 3.739 20 0 EHADRM CC(C)c1cccc(NC(=S)Nc2cnn(C(C)(C)C(=O)[O-])c2)c1 ZINC001591992010 976621098 /nfs/dbraw/zinc/62/10/98/976621098.db2.gz OMAZMOBVLSPMGE-UHFFFAOYSA-N -1 0 346.456 3.635 20 0 EHADRM CC(C)c1cccc(NC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC001591992050 976622521 /nfs/dbraw/zinc/62/25/21/976622521.db2.gz PGINMQFEQGBZGL-HXUWFJFHSA-N -1 0 340.423 3.974 20 0 EHADRM CC(C)c1ccccc1OCCC(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC001592003655 976664473 /nfs/dbraw/zinc/66/44/73/976664473.db2.gz DPNGOLDHZQTTCW-LJQANCHMSA-N -1 0 347.455 3.729 20 0 EHADRM CC(C)c1ccccc1OCCC(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001592004855 976669388 /nfs/dbraw/zinc/66/93/88/976669388.db2.gz VUOHWBFCOJQSHY-UHFFFAOYSA-N -1 0 347.455 3.873 20 0 EHADRM CC(C)c1nc(C(=O)Nc2cccc3cc(C(=O)[O-])sc32)c[nH]1 ZINC001592011529 976688084 /nfs/dbraw/zinc/68/80/84/976688084.db2.gz KMJXRKIEDASYQA-UHFFFAOYSA-N -1 0 329.381 3.698 20 0 EHADRM CC(C)c1nc(CSCc2cc(C(=O)[O-])ccc2Cl)no1 ZINC001592022559 976720780 /nfs/dbraw/zinc/72/07/80/976720780.db2.gz PKVQASWVUKXVCV-UHFFFAOYSA-N -1 0 326.805 3.978 20 0 EHADRM CC(C)c1nnc(CSc2nc3ccc(C(=O)[O-])cc3o2)s1 ZINC001592061315 976815688 /nfs/dbraw/zinc/81/56/88/976815688.db2.gz OZTZCMCIOFADNG-UHFFFAOYSA-N -1 0 335.410 3.793 20 0 EHADRM CC(C)n1ncc(C(=O)Nc2cccc(C(=O)[O-])c2Cl)c1Cl ZINC001592153524 977027865 /nfs/dbraw/zinc/02/78/65/977027865.db2.gz LUPFTDMUNGMGPU-UHFFFAOYSA-N -1 0 342.182 3.721 20 0 EHADRM C[C@H](CC(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21)c1ccco1 ZINC001592239555 977449341 /nfs/dbraw/zinc/44/93/41/977449341.db2.gz BBAQMDYCWLXSQY-BFUOFWGJSA-N -1 0 337.375 3.869 20 0 EHADRM C[C@@H](CC(=O)N[C@](C)(Cc1ccc(F)cc1)C(=O)[O-])C1CCCCC1 ZINC001592243646 977468772 /nfs/dbraw/zinc/46/87/72/977468772.db2.gz ZDKSEKUDRPOCIJ-VBKZILBWSA-N -1 0 349.446 3.934 20 0 EHADRM C[C@H](CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-])C1CCCCC1 ZINC001592259357 977499189 /nfs/dbraw/zinc/49/91/89/977499189.db2.gz PDKDYHNMGMPESX-CXAGYDPISA-N -1 0 335.419 3.544 20 0 EHADRM C[C@H](CC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1)c1ccco1 ZINC001592261708 977503989 /nfs/dbraw/zinc/50/39/89/977503989.db2.gz GRWXCCNECMCMKM-MRVPVSSYSA-N -1 0 325.723 3.903 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)[C@@H](c1ccncc1)C1CCCCC1)C1CC1 ZINC001592277478 977554746 /nfs/dbraw/zinc/55/47/46/977554746.db2.gz CBYFJFQLLZRIRT-QUCCMNQESA-N -1 0 344.455 3.505 20 0 EHADRM C[C@@H](CC(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1)CC(C)(C)C ZINC001592278008 977558879 /nfs/dbraw/zinc/55/88/79/977558879.db2.gz MGFLQBNMBDHODS-JTQLQIEISA-N -1 0 326.462 3.906 20 0 EHADRM C[C@@H](CC(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1)c1ccc(F)cc1 ZINC001592278066 977558998 /nfs/dbraw/zinc/55/89/98/977558998.db2.gz NKJIZCSBQOGSNA-JTQLQIEISA-N -1 0 341.342 3.533 20 0 EHADRM C[C@H](CC(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1)CC(C)(C)C ZINC001592278009 977559263 /nfs/dbraw/zinc/55/92/63/977559263.db2.gz MGFLQBNMBDHODS-SNVBAGLBSA-N -1 0 326.462 3.906 20 0 EHADRM C[C@@H](CC(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1)C1CC1 ZINC001592278265 977561546 /nfs/dbraw/zinc/56/15/46/977561546.db2.gz RUVZSTMUZFCOGV-NSHDSACASA-N -1 0 344.436 3.807 20 0 EHADRM C[C@@H](CC(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2)CC(C)(C)C ZINC001592278506 977565533 /nfs/dbraw/zinc/56/55/33/977565533.db2.gz XMRSKWCSNKLGME-QWRGUYRKSA-N -1 0 338.473 3.734 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)Nc1cc(Cl)ccc1Cl)C1CC1 ZINC001592291021 977620664 /nfs/dbraw/zinc/62/06/64/977620664.db2.gz YPCUJMFTFFSVNB-AWEZNQCLSA-N -1 0 331.199 3.758 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)NCc1ccc(C(F)F)cc1)C(=O)[O-] ZINC000654812143 1014429552 /nfs/dbraw/zinc/42/95/52/1014429552.db2.gz DQELPJZMJVSTIF-CYBMUJFWSA-N -1 0 342.386 3.703 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N(C)c1ccc(C(F)(F)F)cc1Cl ZINC001592371208 977891285 /nfs/dbraw/zinc/89/12/85/977891285.db2.gz POBFZLVLNHZFAR-MRVPVSSYSA-N -1 0 337.725 3.823 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccccc1NCCc1ccccc1 ZINC001592395027 977950210 /nfs/dbraw/zinc/95/02/10/977950210.db2.gz HFYYPEDZOGFWMD-HNNXBMFYSA-N -1 0 340.423 3.781 20 0 EHADRM C[C@H](CC(C)(C)C)C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC001592439366 978090011 /nfs/dbraw/zinc/09/00/11/978090011.db2.gz GUWIBIXXYOAHSZ-MNOVXSKESA-N -1 0 325.380 3.688 20 0 EHADRM C[C@H](CCC1CC1)NC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001592476804 978238355 /nfs/dbraw/zinc/23/83/55/978238355.db2.gz CYWJWHJULJOKAX-GFCCVEGCSA-N -1 0 336.457 3.705 20 0 EHADRM C[C@@H](CCC(C)(C)C)C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001592479177 978256216 /nfs/dbraw/zinc/25/62/16/978256216.db2.gz ZRSVDEZBBILMKB-USXIJHARSA-N -1 0 331.456 3.776 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(F)cc2CO)cc1C(F)(F)F ZINC001211490252 1014471446 /nfs/dbraw/zinc/47/14/46/1014471446.db2.gz RCXJUGKMLYGVST-UHFFFAOYSA-N -1 0 329.249 3.779 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N1[C@H](C)CC(C(=O)[O-])C[C@H]1C ZINC001592491490 978284555 /nfs/dbraw/zinc/28/45/55/978284555.db2.gz MTBMFBSADBNKCD-BZUAXINKSA-N -1 0 331.456 3.746 20 0 EHADRM CC(=O)Nc1cc(NC(=O)Nc2cccc(NC(=O)[O-])c2)ccc1C ZINC000736158538 978306108 /nfs/dbraw/zinc/30/61/08/978306108.db2.gz RUIZMIJYVIBXNV-UHFFFAOYSA-N -1 0 342.355 3.687 20 0 EHADRM C[C@H](CCNC(=O)c1[nH]c2ccccc2c1CC(=O)[O-])CC(C)(C)C ZINC001592520817 978371051 /nfs/dbraw/zinc/37/10/51/978371051.db2.gz JPLGLCRTVWIYRP-CYBMUJFWSA-N -1 0 344.455 3.987 20 0 EHADRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1scnc1C1CC1 ZINC000547631327 1014484262 /nfs/dbraw/zinc/48/42/62/1014484262.db2.gz RMTXZWCTWMRDJU-UHFFFAOYSA-N -1 0 345.449 3.678 20 0 EHADRM C[C@H](CCOc1ccccc1)C(=O)NC1(CCC(=O)[O-])CCCCC1 ZINC001592529784 978390059 /nfs/dbraw/zinc/39/00/59/978390059.db2.gz UWHJNAQZHVLYPT-MRXNPFEDSA-N -1 0 347.455 3.776 20 0 EHADRM C[C@H](CCOc1ccccc1)C(=O)O[C@H](C)c1cc(C(=O)[O-])co1 ZINC001592538821 978416610 /nfs/dbraw/zinc/41/66/10/978416610.db2.gz XNYDQMLPPWKOPE-CHWSQXEVSA-N -1 0 332.352 3.687 20 0 EHADRM Cc1[nH]c(C(=O)Nc2cccc(NC3CCCC3)c2)c(C)c1C(=O)[O-] ZINC000738158111 978488612 /nfs/dbraw/zinc/48/86/12/978488612.db2.gz XCTYLNNPBVUPQX-UHFFFAOYSA-N -1 0 341.411 3.937 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1)C(=O)[O-] ZINC001592602258 978539327 /nfs/dbraw/zinc/53/93/27/978539327.db2.gz NEWPTVYLHVSHTA-KYHPRHEASA-N -1 0 331.456 3.808 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1)C(=O)[O-] ZINC001592602260 978539526 /nfs/dbraw/zinc/53/95/26/978539526.db2.gz NEWPTVYLHVSHTA-YFHUEUNASA-N -1 0 331.456 3.808 20 0 EHADRM Cc1ccc(OC(=O)CCOc2c(C)cccc2C)c(C(=O)[O-])c1 ZINC000738638259 978578706 /nfs/dbraw/zinc/57/87/06/978578706.db2.gz FSJXRVREZMWIBT-UHFFFAOYSA-N -1 0 328.364 3.685 20 0 EHADRM CC(C)(C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)C1CCCCC1 ZINC001592636479 978618846 /nfs/dbraw/zinc/61/88/46/978618846.db2.gz WTJLPFVQQMSASD-FQEVSTJZSA-N -1 0 331.456 3.752 20 0 EHADRM Cc1cc(C)cc([C@@H](NCc2csc(-c3ccco3)n2)C(=O)[O-])c1 ZINC000756385054 978700079 /nfs/dbraw/zinc/70/00/79/978700079.db2.gz DDOCMLXFUXUMKR-MRXNPFEDSA-N -1 0 342.420 3.935 20 0 EHADRM Cc1nc(C2CC2)oc1C(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000761597943 978711187 /nfs/dbraw/zinc/71/11/87/978711187.db2.gz ZZPSWLMPNLSOMF-UHFFFAOYSA-N -1 0 336.347 3.964 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)/C=C\c1ccccc1F)C(=O)[O-] ZINC000766899024 978728843 /nfs/dbraw/zinc/72/88/43/978728843.db2.gz OLFICTFPAZZKPW-QYMJWVLRSA-N -1 0 341.382 3.588 20 0 EHADRM Cc1cc2[nH]c(C(=O)N(CC(=O)[O-])C3CCCCC3)cc2c(C)c1 ZINC000767025660 978731674 /nfs/dbraw/zinc/73/16/74/978731674.db2.gz QHTTWWLQBQSMKI-UHFFFAOYSA-N -1 0 328.412 3.644 20 0 EHADRM C/C(=C\C(=O)Nc1ccc(OCC(=O)[O-])cc1C)c1ccccc1 ZINC000767125613 978735553 /nfs/dbraw/zinc/73/55/53/978735553.db2.gz WOGJURVXGLWDKS-ACCUITESSA-N -1 0 325.364 3.500 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000776504796 978750828 /nfs/dbraw/zinc/75/08/28/978750828.db2.gz VFYBWCKORLUREJ-BQYQJAHWSA-N -1 0 349.383 3.553 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N[C@H]2CCc3ccc(F)cc32)c1 ZINC000811817123 978860696 /nfs/dbraw/zinc/86/06/96/978860696.db2.gz OJVHQDOTJKTFNK-HNNXBMFYSA-N -1 0 333.746 3.595 20 0 EHADRM C[C@@H](Cc1ccccc1F)NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811820177 978864640 /nfs/dbraw/zinc/86/46/40/978864640.db2.gz QJDHNIJTBNRJHJ-JTQLQIEISA-N -1 0 335.762 3.538 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N2CCS[C@H]3CCCC[C@H]32)c1 ZINC000811821580 978865597 /nfs/dbraw/zinc/86/55/97/978865597.db2.gz JTYPINFHSYFMOX-KGLIPLIRSA-N -1 0 339.844 3.538 20 0 EHADRM CCOC(=O)/C(=C/c1cccc(C(=O)[O-])c1)c1ccncc1Cl ZINC000812243871 978869016 /nfs/dbraw/zinc/86/90/16/978869016.db2.gz BNRSKYUUELITER-NTEUORMPSA-N -1 0 331.755 3.537 20 0 EHADRM CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000826538796 978946303 /nfs/dbraw/zinc/94/63/03/978946303.db2.gz KMRAVHPWOQZFIL-HGPCXVNDSA-N -1 0 343.379 3.609 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000829005319 978991595 /nfs/dbraw/zinc/99/15/95/978991595.db2.gz YTHIBTRRJISGOJ-BGTYHANMSA-N -1 0 347.455 3.645 20 0 EHADRM COc1cc(OC)cc([C@@H](C(=O)[O-])N(C)Cc2ccccc2Cl)c1 ZINC000832040384 979037377 /nfs/dbraw/zinc/03/73/77/979037377.db2.gz FCXNILGZIUXIPP-KRWDZBQOSA-N -1 0 349.814 3.615 20 0 EHADRM CC[C@@H](C)c1nnc(N2CC[C@H](C(=O)[O-])C2)n1C1CC(C(C)(C)C)C1 ZINC001595019172 979094083 /nfs/dbraw/zinc/09/40/83/979094083.db2.gz XNVXSMHGLHLGIR-DNDYEEKYSA-N -1 0 348.491 3.700 20 0 EHADRM CC[C@H](C)n1nc(C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)cc1C ZINC001595021656 979097896 /nfs/dbraw/zinc/09/78/96/979097896.db2.gz BQSAFRMAEXHLRT-CMPLNLGQSA-N -1 0 334.372 3.680 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Nc1cccc(Cl)c1)c1ccc(F)cc1 ZINC000833198208 979114496 /nfs/dbraw/zinc/11/44/96/979114496.db2.gz DIWAIQNHNHQKDC-AWEZNQCLSA-N -1 0 336.750 3.817 20 0 EHADRM C[C@H](CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1c(Cl)cccc1Cl ZINC001592692418 979140097 /nfs/dbraw/zinc/14/00/97/979140097.db2.gz KPPBRPIFUCCWFE-OUAUKWLOSA-N -1 0 344.238 3.714 20 0 EHADRM CC[C@@H](CC(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1)c1ccccc1 ZINC001595033076 979173254 /nfs/dbraw/zinc/17/32/54/979173254.db2.gz CQIQDRTXTICTPW-LIRRHRJNSA-N -1 0 343.398 3.960 20 0 EHADRM CC[C@H](CC(=O)Oc1ccc(CC(=O)[O-])cc1)c1ccc(OC)cc1 ZINC001595035685 979187526 /nfs/dbraw/zinc/18/75/26/979187526.db2.gz JIYFBAYPSIGYHN-OAHLLOKOSA-N -1 0 342.391 3.812 20 0 EHADRM CC[C@@H](CC(F)F)C(=O)Nc1c2ccc(C)nc2sc1C(=O)[O-] ZINC001595041603 979226560 /nfs/dbraw/zinc/22/65/60/979226560.db2.gz BSZOALLUARDRLO-QMMMGPOBSA-N -1 0 342.367 3.923 20 0 EHADRM CC[C@@H](CC(F)F)C(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001595042555 979235951 /nfs/dbraw/zinc/23/59/51/979235951.db2.gz OQWDRSBXVWCNNW-MEDUHNTESA-N -1 0 347.789 3.523 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC001595048942 979270556 /nfs/dbraw/zinc/27/05/56/979270556.db2.gz VDVDEOXKIKLLFC-NSHDSACASA-N -1 0 345.361 3.959 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1ccccc1OCC1CC1 ZINC001595050569 979279151 /nfs/dbraw/zinc/27/91/51/979279151.db2.gz STTXJWBSLAQNIL-UHFFFAOYSA-N -1 0 334.416 3.630 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC001595051397 979284003 /nfs/dbraw/zinc/28/40/03/979284003.db2.gz YSDYTEUNPSYVBZ-OWCLPIDISA-N -1 0 341.492 3.614 20 0 EHADRM CCC(CC)(CC)NC(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC001595060203 979314566 /nfs/dbraw/zinc/31/45/66/979314566.db2.gz GVPSPBMBTCLRRQ-LLVKDONJSA-N -1 0 340.395 3.768 20 0 EHADRM CCC(CC)(CNC(=O)/C=C\c1ccc(F)c2ccccc12)C(=O)[O-] ZINC001595064406 979325287 /nfs/dbraw/zinc/32/52/87/979325287.db2.gz KEOHHYYEDMVBIQ-BENRWUELSA-N -1 0 343.398 3.999 20 0 EHADRM CCC(CC)(CNC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001595064669 979327210 /nfs/dbraw/zinc/32/72/10/979327210.db2.gz FVVUGCHPJGWVIB-LLVKDONJSA-N -1 0 345.361 3.816 20 0 EHADRM CCC(CC)(CNC(=O)c1cccc2c1ccn2CC(C)C)C(=O)[O-] ZINC001595075289 979348778 /nfs/dbraw/zinc/34/87/78/979348778.db2.gz XBTCVDOGFNWTMM-UHFFFAOYSA-N -1 0 344.455 3.918 20 0 EHADRM C[C@@](COC(=O)CCCc1cccs1)(C(=O)[O-])c1ccccc1 ZINC001592765386 979371064 /nfs/dbraw/zinc/37/10/64/979371064.db2.gz SNKSJKKLVQPJJL-SFHVURJKSA-N -1 0 332.421 3.657 20 0 EHADRM CCC(CC)[C@H]1C[C@H](NC(=O)Nc2ccc(C(=O)[O-])cc2C)CCO1 ZINC001595110217 979453473 /nfs/dbraw/zinc/45/34/73/979453473.db2.gz UZSMESPLJSVVNH-NVXWUHKLSA-N -1 0 348.443 3.799 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1ccc(/C=C\C(=O)[O-])o1)c1ccccc1 ZINC000851595899 979509906 /nfs/dbraw/zinc/50/99/06/979509906.db2.gz RIUQVFRYHXNBEH-XSLBHYSZSA-N -1 0 327.380 3.895 20 0 EHADRM CC[C@@H](CC1CCCCC1)C(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001595125743 979510203 /nfs/dbraw/zinc/51/02/03/979510203.db2.gz HRXCYMVYWJROTR-LSDHHAIUSA-N -1 0 347.459 3.529 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)OCc1ccc(C(=O)[O-])s1 ZINC001595126559 979518845 /nfs/dbraw/zinc/51/88/45/979518845.db2.gz UQHPWZTYIPLKSE-UHFFFAOYSA-N -1 0 336.413 3.669 20 0 EHADRM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851601296 979520539 /nfs/dbraw/zinc/52/05/39/979520539.db2.gz KJWWBSKUVQAPKX-WFDIXDCASA-N -1 0 343.354 3.570 20 0 EHADRM CC[C@H]1c2ccccc2CCN1C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851602764 979523270 /nfs/dbraw/zinc/52/32/70/979523270.db2.gz ZTGXNLGFWVFWJF-YHWKNFMLSA-N -1 0 325.364 3.527 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N2CCC(C3CCCCC3)CC2)o1 ZINC000851608521 979535460 /nfs/dbraw/zinc/53/54/60/979535460.db2.gz KLNPRIWQLRRKPM-CLFYSBASSA-N -1 0 331.412 3.810 20 0 EHADRM C[C@@H](CSCc1ccccc1)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001592826183 979548719 /nfs/dbraw/zinc/54/87/19/979548719.db2.gz VQZRLLDXXPAKPY-HNNXBMFYSA-N -1 0 349.496 3.707 20 0 EHADRM CC[C@@](CNC(=O)C1(C2CCCCC2)CC1)(C(=O)[O-])c1ccccc1 ZINC001595138631 979582556 /nfs/dbraw/zinc/58/25/56/979582556.db2.gz JQFJGPCHZIDAMJ-FQEVSTJZSA-N -1 0 343.467 3.896 20 0 EHADRM CC[C@H](CNC(=O)CC1c2ccccc2Oc2ccccc21)C(=O)[O-] ZINC001595140238 979600105 /nfs/dbraw/zinc/60/01/05/979600105.db2.gz HPVYUKJEOXBWHR-CYBMUJFWSA-N -1 0 339.391 3.541 20 0 EHADRM C[C@](Cc1ccc(Cl)cc1)(NC(=O)OC1CCCCC1)C(=O)[O-] ZINC001592840200 979602949 /nfs/dbraw/zinc/60/29/49/979602949.db2.gz JIOPSYAIPQZGOV-QGZVFWFLSA-N -1 0 339.819 3.785 20 0 EHADRM CC(C)CN(Cc1ccccc1)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000856928527 979612845 /nfs/dbraw/zinc/61/28/45/979612845.db2.gz VVSAOWFDHQZDOH-LUAWRHEFSA-N -1 0 327.380 3.676 20 0 EHADRM CC[C@@](CNC(=O)Nc1cccc(C)c1)(C(=O)[O-])c1ccccc1 ZINC001595153201 979650978 /nfs/dbraw/zinc/65/09/78/979650978.db2.gz ABVKGHMAIVFFJU-IBGZPJMESA-N -1 0 326.396 3.549 20 0 EHADRM O=C([O-])c1c[nH]c2cc(NCc3cnc([C@@H]4CCCO4)s3)ccc21 ZINC000859819958 979653185 /nfs/dbraw/zinc/65/31/85/979653185.db2.gz OHGRRQMAMCHNRY-HNNXBMFYSA-N -1 0 343.408 3.786 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC001592855044 979659275 /nfs/dbraw/zinc/65/92/75/979659275.db2.gz ZMQOADMPBKMKTG-GUYCJALGSA-N -1 0 335.419 3.544 20 0 EHADRM Cc1ccc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1C(=O)[O-] ZINC000864101713 979685955 /nfs/dbraw/zinc/68/59/55/979685955.db2.gz LNMUFPTWTQRWTP-KRWDZBQOSA-N -1 0 327.355 3.810 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N2CC[C@@H](C(C)(C)C)C2)cc1)C(=O)[O-] ZINC001592860558 979691343 /nfs/dbraw/zinc/69/13/43/979691343.db2.gz JMZSYFDLMFDGTQ-DZGCQCFKSA-N -1 0 332.444 3.850 20 0 EHADRM CCC[C@@H](C(=O)NC(C)(C)CCC(=O)[O-])c1cccc(Cl)c1 ZINC000864116204 979708315 /nfs/dbraw/zinc/70/83/15/979708315.db2.gz NFDYTZQNYSOHCZ-CQSZACIVSA-N -1 0 325.836 3.983 20 0 EHADRM O=C([O-])C1(CNC(=O)CCc2cccc3ccccc32)CCCC1 ZINC000864121375 979718078 /nfs/dbraw/zinc/71/80/78/979718078.db2.gz CWXWVHPYESMSCH-UHFFFAOYSA-N -1 0 325.408 3.534 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2c[nH]c(-c3ccccc3)n2)cc1)C(=O)[O-] ZINC001592873467 979735998 /nfs/dbraw/zinc/73/59/98/979735998.db2.gz UWPYPJZTKIJAAV-CYBMUJFWSA-N -1 0 349.390 3.592 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC001592873803 979737013 /nfs/dbraw/zinc/73/70/13/979737013.db2.gz VLVBTKMSFRHNSJ-UONOGXRCSA-N -1 0 326.396 3.833 20 0 EHADRM CC[C@](CNc1ccnc(-c2ccccc2)n1)(C(=O)[O-])c1ccccc1 ZINC001595172733 979745145 /nfs/dbraw/zinc/74/51/45/979745145.db2.gz NLWIPOQNEDCLAU-OAQYLSRUSA-N -1 0 347.418 3.988 20 0 EHADRM O=C([O-])c1ccc2c(c1)[C@H](CNC(=O)[C@@]13C[C@@H]1CCCC3)CCC2 ZINC000864157023 979768357 /nfs/dbraw/zinc/76/83/57/979768357.db2.gz UPTUDYCZNNUBFY-FTRWYGJKSA-N -1 0 327.424 3.501 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)N[C@H](CC(C)(C)C)C(=O)[O-] ZINC001592890662 979779342 /nfs/dbraw/zinc/77/93/42/979779342.db2.gz JKVJAJQNIUHQCH-BXUZGUMPSA-N -1 0 325.836 3.524 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001592891615 979784619 /nfs/dbraw/zinc/78/46/19/979784619.db2.gz QXEFBMAEPFWDLK-LBPRGKRZSA-N -1 0 343.810 3.806 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1 ZINC001592896674 979798444 /nfs/dbraw/zinc/79/84/44/979798444.db2.gz RHMAFZPPHYLIPM-ZDUSSCGKSA-N -1 0 344.382 3.972 20 0 EHADRM Cc1nc2ccccc2cc1C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC000864175232 979814621 /nfs/dbraw/zinc/81/46/21/979814621.db2.gz ZPKSVGRQRLRIMH-QGZVFWFLSA-N -1 0 340.423 3.554 20 0 EHADRM C[C@@H](Cc1nnc(SCc2ccoc2C(=O)[O-])o1)c1ccccc1 ZINC001592912965 979883091 /nfs/dbraw/zinc/88/30/91/979883091.db2.gz QNEJHHWLXCZFPZ-NSHDSACASA-N -1 0 344.392 3.999 20 0 EHADRM C[C@@H](OC(=O)[C@@H](C)Cn1ccc2ccccc21)c1ccc(C(=O)[O-])o1 ZINC001592918922 979911374 /nfs/dbraw/zinc/91/13/74/979911374.db2.gz SOWDCVSFVAIKIM-QWHCGFSZSA-N -1 0 341.363 3.873 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)c1 ZINC000864232400 979931095 /nfs/dbraw/zinc/93/10/95/979931095.db2.gz ORKLCAIXTJFTIZ-OTWHNJEPSA-N -1 0 337.419 3.739 20 0 EHADRM CC[C@H](CSC)NC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001595204106 979973299 /nfs/dbraw/zinc/97/32/99/979973299.db2.gz ZTJRPKVTUSKTOP-SNVBAGLBSA-N -1 0 338.454 3.863 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(CC)C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001595213390 980006177 /nfs/dbraw/zinc/00/61/77/980006177.db2.gz QMDAMZDCVKWZCJ-MQNTZWLQSA-N -1 0 341.407 3.861 20 0 EHADRM CC[C@H](Cc1ccc(F)cc1)NC(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001595213612 980008265 /nfs/dbraw/zinc/00/82/65/980008265.db2.gz WHDLMMQMPRXENK-MRXNPFEDSA-N -1 0 344.386 3.975 20 0 EHADRM CCC(F)(F)C(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001595216151 980012869 /nfs/dbraw/zinc/01/28/69/980012869.db2.gz CTVZREOMWSOXKU-UHFFFAOYSA-N -1 0 336.294 3.556 20 0 EHADRM CC(F)(F)c1ccccc1NC(=O)NC1(CC(=O)[O-])CCCC1 ZINC001592944660 980022768 /nfs/dbraw/zinc/02/27/68/980022768.db2.gz ODMWUDGAHAWODK-UHFFFAOYSA-N -1 0 326.343 3.707 20 0 EHADRM CC(F)(F)c1cccc(NC(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC001592944669 980022825 /nfs/dbraw/zinc/02/28/25/980022825.db2.gz OIGRRSPFEOTXGH-UHFFFAOYSA-N -1 0 335.306 3.514 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000872714893 980093691 /nfs/dbraw/zinc/09/36/91/980093691.db2.gz SVNIYUBAFXXGDW-UHFFFAOYSA-N -1 0 327.380 3.743 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1sccc1C(F)F)CC2 ZINC000872718255 980099021 /nfs/dbraw/zinc/09/90/21/980099021.db2.gz MIENKOYEJNYXHU-UHFFFAOYSA-N -1 0 337.347 3.582 20 0 EHADRM CC[C@@](NC(=O)[C@@H]1CC2CCC1CC2)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595237142 980142737 /nfs/dbraw/zinc/14/27/37/980142737.db2.gz YZEFWSOALYFBDL-OKGMWCHFSA-N -1 0 349.858 3.972 20 0 EHADRM CC[C@](NC(=O)[C@@H]1CC2CCC1CC2)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595237137 980142782 /nfs/dbraw/zinc/14/27/82/980142782.db2.gz YZEFWSOALYFBDL-JUSPOTDISA-N -1 0 349.858 3.972 20 0 EHADRM CC[C@](NC(=O)/C=C1\CC[C@H](C)C1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595237408 980144890 /nfs/dbraw/zinc/14/48/90/980144890.db2.gz GCFGSRMOLNCQGX-MDJRLISTSA-N -1 0 335.831 3.893 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)cc1-c1ccsc1 ZINC000872765448 980152901 /nfs/dbraw/zinc/15/29/01/980152901.db2.gz XDPQHCIMCZVPGR-HFBAOOFYSA-N -1 0 345.420 3.540 20 0 EHADRM CC[C@@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)c1ccc(Cl)s1 ZINC001595246831 980186396 /nfs/dbraw/zinc/18/63/96/980186396.db2.gz DWZSXAXPAZRHEU-OUAUKWLOSA-N -1 0 344.864 3.605 20 0 EHADRM CC[C@@H](NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])c1cc(C)ccc1C ZINC001595251485 980212576 /nfs/dbraw/zinc/21/25/76/980212576.db2.gz BLLGTJZZXZHYMT-USXIJHARSA-N -1 0 332.444 3.697 20 0 EHADRM CC[C@H](NC(=O)NCc1ccc(C(=O)[O-])cc1F)C1CCCCC1 ZINC001595252507 980220149 /nfs/dbraw/zinc/22/01/49/980220149.db2.gz GMNRBPUQFKPJMK-INIZCTEOSA-N -1 0 336.407 3.682 20 0 EHADRM O=C([O-])C1CCN(C(=O)Nc2ccc([C@@H](F)C(F)(F)F)cc2)CC1 ZINC000887394169 980221610 /nfs/dbraw/zinc/22/16/10/980221610.db2.gz GRQBUEVVPYQCFP-GFCCVEGCSA-N -1 0 348.296 3.588 20 0 EHADRM C[C@@H](CC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1)c1ccco1 ZINC000899303684 980226120 /nfs/dbraw/zinc/22/61/20/980226120.db2.gz BCLNJZCIDRMION-LBPRGKRZSA-N -1 0 341.363 3.577 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)[C@H]1CCCCO1 ZINC001595256564 980237635 /nfs/dbraw/zinc/23/76/35/980237635.db2.gz CHYHWAOHPHLGJF-HZPDHXFCSA-N -1 0 348.443 3.518 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(C(=O)[O-])nc1)c1cc(C)ccc1C ZINC001595256744 980239369 /nfs/dbraw/zinc/23/93/69/980239369.db2.gz HEYCDNQLEMWLMJ-HNNXBMFYSA-N -1 0 327.384 3.669 20 0 EHADRM C[C@H](NC(=O)CCCC(=O)[O-])c1ccc(-c2ccc(F)cc2)cc1 ZINC001593015091 980259523 /nfs/dbraw/zinc/25/95/23/980259523.db2.gz BUMKXIFBWNELMH-ZDUSSCGKSA-N -1 0 329.371 3.925 20 0 EHADRM O=C([O-])c1ccc(C[NH+]2CCCCCCC2)cc1Br ZINC000901418184 980265714 /nfs/dbraw/zinc/26/57/14/980265714.db2.gz YSYNSDDCJBHIQH-UHFFFAOYSA-N -1 0 326.234 3.913 20 0 EHADRM C[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)[C@H]1CC2CCC1CC2 ZINC001593019875 980275118 /nfs/dbraw/zinc/27/51/18/980275118.db2.gz KGJRUKBJXXUFFR-DVUZTRGUSA-N -1 0 329.440 3.648 20 0 EHADRM CC[C@](NC(=O)c1ccc(F)c(C)c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595269182 980284037 /nfs/dbraw/zinc/28/40/37/980284037.db2.gz QJHZOXJDGLZASR-GOSISDBHSA-N -1 0 349.789 3.907 20 0 EHADRM CC[C@](NC(=O)c1ccc(C)c(F)c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595269305 980285279 /nfs/dbraw/zinc/28/52/79/980285279.db2.gz ZUFVFSMHXYANDV-GOSISDBHSA-N -1 0 349.789 3.907 20 0 EHADRM Cn1cnc(-c2cccc(N[C@H]3CCC[C@H](CCCC(=O)[O-])C3)c2)n1 ZINC000901441184 980289328 /nfs/dbraw/zinc/28/93/28/980289328.db2.gz FWGPIRWLACONAA-ZBFHGGJFSA-N -1 0 342.443 3.708 20 0 EHADRM CCc1ccc(NCc2c(C)nn(CCC(=O)[O-])c2C)cc1Cl ZINC000901474102 980304432 /nfs/dbraw/zinc/30/44/32/980304432.db2.gz VHVWJHCKMPBBPO-UHFFFAOYSA-N -1 0 335.835 3.803 20 0 EHADRM O=C([O-])/C=C\c1ccc(CN2CCC[C@](F)(c3ccccc3)C2)o1 ZINC000901543720 980372523 /nfs/dbraw/zinc/37/25/23/980372523.db2.gz KFVNJJYKSKEMFY-ZBTAVZRMSA-N -1 0 329.371 3.838 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)CCc2ccc(Cl)c(F)c2)C1 ZINC000901575167 980389221 /nfs/dbraw/zinc/38/92/21/980389221.db2.gz MPJCULGJFYUCEN-CYBMUJFWSA-N -1 0 341.810 3.515 20 0 EHADRM CCC(CC)(NC(=O)Nc1ccc(F)c(C(F)(F)F)c1)C(=O)[O-] ZINC000321467988 1014654775 /nfs/dbraw/zinc/65/47/75/1014654775.db2.gz ZUEZLMDAFXCXPR-UHFFFAOYSA-N -1 0 336.285 3.609 20 0 EHADRM Cc1c(Br)cncc1CNc1ccc(CCC(=O)[O-])cc1 ZINC000901639016 980420117 /nfs/dbraw/zinc/42/01/17/980420117.db2.gz IFLCYLZTFPKLRQ-UHFFFAOYSA-N -1 0 349.228 3.782 20 0 EHADRM COCCOc1ccc(-c2cc(C)ccc2OCCC(=O)[O-])cc1 ZINC000584303103 1032099881 /nfs/dbraw/zinc/09/98/81/1032099881.db2.gz YPOSYFPNLQBPPC-UHFFFAOYSA-N -1 0 330.380 3.541 20 0 EHADRM CC[C@H](Nc1ccc(OC2COC2)cc1)c1ccc(C(=O)[O-])cc1 ZINC001595318210 980499214 /nfs/dbraw/zinc/49/92/14/980499214.db2.gz HSZYNKQBDUHKSN-SFHVURJKSA-N -1 0 327.380 3.726 20 0 EHADRM CC[C@@H](Nc1ccc(OC(F)F)c(OC)c1)C1(C(=O)[O-])CCC1 ZINC001595318229 980499375 /nfs/dbraw/zinc/49/93/75/980499375.db2.gz IBSHGGVJLUFTBC-CYBMUJFWSA-N -1 0 329.343 3.742 20 0 EHADRM O=C([O-])[C@]1(C(F)(F)F)CCN(Cc2cscc2C(F)(F)F)C1 ZINC000901790495 980521509 /nfs/dbraw/zinc/52/15/09/980521509.db2.gz YDPNAGPGIPUOSR-JTQLQIEISA-N -1 0 347.280 3.606 20 0 EHADRM Cc1cnc(CN[C@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])s1 ZINC000901849456 980574818 /nfs/dbraw/zinc/57/48/18/980574818.db2.gz WBHIYRTZGPDZJI-GDBMZVCRSA-N -1 0 330.453 3.505 20 0 EHADRM CCc1nc(CN[C@](CC)(C(=O)[O-])c2ccc(Cl)cc2)cs1 ZINC000901871581 980584066 /nfs/dbraw/zinc/58/40/66/980584066.db2.gz DUOMUSJTPMPNPO-INIZCTEOSA-N -1 0 338.860 3.839 20 0 EHADRM CC[C@H](OC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)[C@@H](C)C(=O)[O-] ZINC001595338753 980609285 /nfs/dbraw/zinc/60/92/85/980609285.db2.gz ZLGUWHJERXISCU-JFUSQASVSA-N -1 0 336.281 3.759 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001595354650 980693917 /nfs/dbraw/zinc/69/39/17/980693917.db2.gz BBJFGZWKTNVKLP-JYJNAYRXSA-N -1 0 339.476 3.512 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001595355912 980706711 /nfs/dbraw/zinc/70/67/11/980706711.db2.gz RACIQIFYYZGLRB-KRWDZBQOSA-N -1 0 348.443 3.517 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001595356737 980715243 /nfs/dbraw/zinc/71/52/43/980715243.db2.gz JRQMXXPLCCZYPB-AWEZNQCLSA-N -1 0 349.333 3.768 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)OCc1ccccc1CC(=O)[O-] ZINC001595356921 980717535 /nfs/dbraw/zinc/71/75/35/980717535.db2.gz NKTTXROLVLKZNS-GOSISDBHSA-N -1 0 342.391 3.523 20 0 EHADRM CCNC(=O)c1cccc(N[C@@H]2CCC[C@H](CCCC(=O)[O-])C2)c1 ZINC000902069719 980719425 /nfs/dbraw/zinc/71/94/25/980719425.db2.gz HPWZFELBLLWEEF-GDBMZVCRSA-N -1 0 332.444 3.662 20 0 EHADRM CCOc1cccc2cc([C@@H](C)NCc3cccc(C(=O)[O-])n3)oc21 ZINC000902081111 980723735 /nfs/dbraw/zinc/72/37/35/980723735.db2.gz RSHNVIOXDMHXIH-GFCCVEGCSA-N -1 0 340.379 3.776 20 0 EHADRM CCc1oc(CNCc2ccccc2OC(F)(F)F)cc1C(=O)[O-] ZINC000902088541 980726799 /nfs/dbraw/zinc/72/67/99/980726799.db2.gz RRPLWOMCFZNDMS-UHFFFAOYSA-N -1 0 343.301 3.729 20 0 EHADRM COc1ccc(OC(F)F)c(NC2CCC(CC(=O)[O-])CC2)c1 ZINC000902104951 980736429 /nfs/dbraw/zinc/73/64/29/980736429.db2.gz FHSRFFSKWWIIFB-UHFFFAOYSA-N -1 0 329.343 3.742 20 0 EHADRM O=C([O-])/C=C\c1ccc(CNCc2ccccc2OC2CCCC2)o1 ZINC000902104655 980736732 /nfs/dbraw/zinc/73/67/32/980736732.db2.gz NGBOJEWJGYKBGT-QXMHVHEDSA-N -1 0 341.407 3.989 20 0 EHADRM CN(C)C(=O)Cc1ccc(N[C@H]2CCC[C@H](CCCC(=O)[O-])C2)cc1 ZINC000902113007 980740212 /nfs/dbraw/zinc/74/02/12/980740212.db2.gz SAHMQJMHJQWSLJ-QAPCUYQASA-N -1 0 346.471 3.543 20 0 EHADRM CC[C@H](c1ccc(F)cc1)[S@](=O)CCc1ccccc1C(=O)[O-] ZINC001595359625 980742991 /nfs/dbraw/zinc/74/29/91/980742991.db2.gz FSNTVXILBAVDEE-UZUQRXQVSA-N -1 0 334.412 3.966 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CNc1ccc(C)cc1OC[C@H]1CCCO1 ZINC000902159463 980761513 /nfs/dbraw/zinc/76/15/13/980761513.db2.gz HPEMLVKHJSXLJW-OAHLLOKOSA-N -1 0 345.395 3.765 20 0 EHADRM CCc1cccc2c1OCC[C@@H]2NCc1ccc(/C=C/C(=O)[O-])o1 ZINC000902212350 980784375 /nfs/dbraw/zinc/78/43/75/980784375.db2.gz BTMVNCPJLZRCLI-IJDCCNJMSA-N -1 0 327.380 3.553 20 0 EHADRM CCCCc1ccc([N-]S(=O)(=O)c2sccc2OC)cc1 ZINC000471133517 1014683596 /nfs/dbraw/zinc/68/35/96/1014683596.db2.gz PALWRKALZKMGEX-UHFFFAOYSA-N -1 0 325.455 3.900 20 0 EHADRM Cc1cc(CNc2ccc(OC3CCOCC3)c(C)c2)oc1C(=O)[O-] ZINC000902283092 980816311 /nfs/dbraw/zinc/81/63/11/980816311.db2.gz YLVJWONUUVDGDG-UHFFFAOYSA-N -1 0 345.395 3.765 20 0 EHADRM CCC1(C(=O)Nc2cc(C(=O)[O-])cc(Cl)c2Cl)CCOCC1 ZINC001595367910 980820595 /nfs/dbraw/zinc/82/05/95/980820595.db2.gz JVDTWEQQUHRIFN-UHFFFAOYSA-N -1 0 346.210 3.837 20 0 EHADRM COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1cccc(C(=O)[O-])n1 ZINC000902388645 980867217 /nfs/dbraw/zinc/86/72/17/980867217.db2.gz WTXOSQNHQOCMGT-QGZVFWFLSA-N -1 0 328.412 3.665 20 0 EHADRM Cc1ccccc1[C@]1(F)CCN(Cc2ccc(/C=C\C(=O)[O-])o2)C1 ZINC000902453561 980894927 /nfs/dbraw/zinc/89/49/27/980894927.db2.gz RYTLEPGFKMQFKK-QWUACUGRSA-N -1 0 329.371 3.757 20 0 EHADRM Cc1noc([C@@H](C)N(C)Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)n1 ZINC000902534643 980925546 /nfs/dbraw/zinc/92/55/46/980925546.db2.gz DVTFKLMIHLNROS-LLVKDONJSA-N -1 0 341.367 3.529 20 0 EHADRM CC(C)Cn1nccc1CN[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC000902565729 980935532 /nfs/dbraw/zinc/93/55/32/980935532.db2.gz PEQBMHIIIZEMFQ-IBGZPJMESA-N -1 0 337.423 3.608 20 0 EHADRM CC[C@H]1[C@@H](C)CCN1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001595404930 980984251 /nfs/dbraw/zinc/98/42/51/980984251.db2.gz NCOLXJFKBXIYQV-BBRMVZONSA-N -1 0 345.443 3.637 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)C[C@H]1CCO[C@H](CC)C1 ZINC001595409442 981008163 /nfs/dbraw/zinc/00/81/63/981008163.db2.gz YELKQQXBPXNEBJ-JQHSSLGASA-N -1 0 347.455 3.646 20 0 EHADRM Cc1cc(N)cc2cnn(-c3ccc(C(=O)[O-])c(C(F)(F)F)c3)c21 ZINC001211492081 1014699506 /nfs/dbraw/zinc/69/95/06/1014699506.db2.gz LFIPSIKSEVIGIT-UHFFFAOYSA-N -1 0 335.285 3.633 20 0 EHADRM CCC1CCC(CNC(=O)Nc2cc(COC)cc(C(=O)[O-])c2)CC1 ZINC001595415166 981026472 /nfs/dbraw/zinc/02/64/72/981026472.db2.gz AICGSZYRKIKZGW-UHFFFAOYSA-N -1 0 348.443 3.869 20 0 EHADRM CCC1CCC(N(C(=O)/C=C\c2cc(C(=O)[O-])co2)C2CC2)CC1 ZINC001595416271 981032314 /nfs/dbraw/zinc/03/23/14/981032314.db2.gz TWYQHSGVOLCZNN-KTKRTIGZSA-N -1 0 331.412 3.951 20 0 EHADRM CCC1CCC(NC(=O)c2ccc(F)c3cccnc23)(C(=O)[O-])CC1 ZINC001595424687 981043625 /nfs/dbraw/zinc/04/36/25/981043625.db2.gz JVZNIQYKZDUKIH-UHFFFAOYSA-N -1 0 344.386 3.527 20 0 EHADRM CC[C@@H]1CCC[C@]1(C)C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC001595435133 981062498 /nfs/dbraw/zinc/06/24/98/981062498.db2.gz GWLRCZLSQIQXFY-DIFFPNOSSA-N -1 0 347.440 3.991 20 0 EHADRM CC[C@@H]1CCC[C@H]1C(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC001595436973 981073062 /nfs/dbraw/zinc/07/30/62/981073062.db2.gz ZCULUKRCNGIJMD-UKRRQHHQSA-N -1 0 341.411 3.644 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1scc(C(=O)[O-])c1C ZINC001595448050 981097174 /nfs/dbraw/zinc/09/71/74/981097174.db2.gz LAZGGCCPBNHVCW-YPMHNXCESA-N -1 0 325.430 3.679 20 0 EHADRM CC[C@@H]1CCCC[C@H]1OCC(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC001595448103 981097906 /nfs/dbraw/zinc/09/79/06/981097906.db2.gz MNGCDSPLMGAMTH-SUMDDJOVSA-N -1 0 347.455 3.531 20 0 EHADRM CC[C@H]1CCCc2sc(NC(=O)Nc3cc(C(=O)[O-])n(C)c3)nc21 ZINC001595459841 981140661 /nfs/dbraw/zinc/14/06/61/981140661.db2.gz NGGSDRNURJVTBH-VIFPVBQESA-N -1 0 348.428 3.654 20 0 EHADRM O=C([O-])c1cc2cccnc2c(N[C@@H]2CCCC23CCOCC3)c1 ZINC000905761762 981145845 /nfs/dbraw/zinc/14/58/45/981145845.db2.gz UGVUKPDWWMGJQN-MRXNPFEDSA-N -1 0 326.396 3.694 20 0 EHADRM COc1c(NC(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)cccc1C(=O)[O-] ZINC000906500046 981170096 /nfs/dbraw/zinc/17/00/96/981170096.db2.gz JWNTVDDCDGWBPB-UONOGXRCSA-N -1 0 343.354 3.665 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c1 ZINC000907565727 981192301 /nfs/dbraw/zinc/19/23/01/981192301.db2.gz QDFFNIOPKJJYMV-DUXSXAKTSA-N -1 0 339.391 3.591 20 0 EHADRM CC1=C(C)C[C@@](C)(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)CC1 ZINC000907614827 981200967 /nfs/dbraw/zinc/20/09/67/981200967.db2.gz AZNKKIKYPSOPHP-PXNSSMCTSA-N -1 0 327.424 3.724 20 0 EHADRM O=C([O-])[C@]1(C(=O)N[C@@H]2CCCc3sccc32)C[C@H]1c1ccccc1 ZINC000907659390 981204946 /nfs/dbraw/zinc/20/49/46/981204946.db2.gz DJEASVKBZBSSHJ-QMTMVMCOSA-N -1 0 341.432 3.500 20 0 EHADRM CC[C@H]1CN(Cc2ccc(C3(C(=O)[O-])CC3)cc2)c2ccccc2O1 ZINC001595488499 981236074 /nfs/dbraw/zinc/23/60/74/981236074.db2.gz OUGTWTLCUFOTBF-KRWDZBQOSA-N -1 0 337.419 3.980 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cccc3c2OC(C)(C)C3)c(C)c1 ZINC000530487356 1014719235 /nfs/dbraw/zinc/71/92/35/1014719235.db2.gz MIOUWVHROVPAOL-UHFFFAOYSA-N -1 0 347.436 3.518 20 0 EHADRM CC[C@H]1c2ccsc2CCN1C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001595503860 981277537 /nfs/dbraw/zinc/27/75/37/981277537.db2.gz FIIRVRZXNFPOMP-AWEZNQCLSA-N -1 0 333.384 3.735 20 0 EHADRM C[C@@]1(C(=O)NCCc2cc3ccc(C(=O)[O-])cc3o2)CC=CCC1 ZINC000908222713 981283179 /nfs/dbraw/zinc/28/31/79/981283179.db2.gz XNZRBDHNBWQNCO-LJQANCHMSA-N -1 0 327.380 3.536 20 0 EHADRM C[C@H](CCc1ccc(F)cc1)C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908332385 981300504 /nfs/dbraw/zinc/30/05/04/981300504.db2.gz DYMZLJRCETZBNU-OAHLLOKOSA-N -1 0 349.446 3.936 20 0 EHADRM CC/C=C\CNC(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001595520553 981337062 /nfs/dbraw/zinc/33/70/62/981337062.db2.gz IKGJBZGRZPRTJJ-ARJAWSKDSA-N -1 0 342.848 3.995 20 0 EHADRM CN(Cc1ccc2ccccc2c1)C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000908699807 981341573 /nfs/dbraw/zinc/34/15/73/981341573.db2.gz UFFBFDCFUMEYKT-UHFFFAOYSA-N -1 0 337.419 3.833 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@@H]3CCSc4ccc(F)cc43)(CC1)C2 ZINC000908707707 981343699 /nfs/dbraw/zinc/34/36/99/981343699.db2.gz VOBNYRIANDGTKE-NLNFPOJYSA-N -1 0 349.427 3.514 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000908753628 981353914 /nfs/dbraw/zinc/35/39/14/981353914.db2.gz JPCRQQKAOUISDK-GFCCVEGCSA-N -1 0 331.368 3.564 20 0 EHADRM CCN(C(=O)c1[nH]c2ccccc2c1CC(=O)[O-])[C@@H]1CCCC[C@H]1C ZINC000908780510 981361217 /nfs/dbraw/zinc/36/12/17/981361217.db2.gz QWFXMZPKWOSTHN-CXAGYDPISA-N -1 0 342.439 3.836 20 0 EHADRM O=C([O-])Cc1occc1C(=O)NCC1CCC(c2ccccc2)CC1 ZINC000908792745 981363900 /nfs/dbraw/zinc/36/39/00/981363900.db2.gz VWGDAHRJOBMFME-UHFFFAOYSA-N -1 0 341.407 3.611 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N(C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000908816236 981367190 /nfs/dbraw/zinc/36/71/90/981367190.db2.gz BYSTXVVRHURSGR-NSHDSACASA-N -1 0 335.787 3.643 20 0 EHADRM Cc1c(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)sc2c1CCCC2 ZINC000908827170 981369528 /nfs/dbraw/zinc/36/95/28/981369528.db2.gz ALPWRAOSHIVCLU-UHFFFAOYSA-N -1 0 333.453 3.909 20 0 EHADRM CCC[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1)C(C)C ZINC001595536124 981380648 /nfs/dbraw/zinc/38/06/48/981380648.db2.gz PJXLTFMQCQWFJC-SMDDNHRTSA-N -1 0 329.799 3.793 20 0 EHADRM CCC[C@@](C)(NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC001595546786 981414565 /nfs/dbraw/zinc/41/45/65/981414565.db2.gz SVAIBBKXXZSXAV-FMAYLGMYSA-N -1 0 327.380 3.823 20 0 EHADRM Cc1nc(-c2ccccc2C)sc1C(=O)NCCCCCC(=O)[O-] ZINC000909085184 981416479 /nfs/dbraw/zinc/41/64/79/981416479.db2.gz AAJZKDJLOOZTRW-UHFFFAOYSA-N -1 0 346.452 3.802 20 0 EHADRM CCC[C@@](C)(NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1)c1ccccc1 ZINC001595547059 981417068 /nfs/dbraw/zinc/41/70/68/981417068.db2.gz NNXJAUIFQOFLFM-SIXWZSSISA-N -1 0 332.444 3.645 20 0 EHADRM CC(C)(CC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1)C1CC1 ZINC000909138325 981426050 /nfs/dbraw/zinc/42/60/50/981426050.db2.gz XCASUKXRYDGQGP-UHFFFAOYSA-N -1 0 340.423 3.577 20 0 EHADRM CCC[C@](C)(NC(=O)c1ccc(Oc2ccccc2C)cn1)C(=O)[O-] ZINC001595553399 981429385 /nfs/dbraw/zinc/42/93/85/981429385.db2.gz JENQBBKZCFSXLW-IBGZPJMESA-N -1 0 342.395 3.556 20 0 EHADRM CCC[C@@H]1C[C@@H](C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CCO1 ZINC000909272569 981456828 /nfs/dbraw/zinc/45/68/28/981456828.db2.gz QRPAWMCGFJHLBM-IINYFYTJSA-N -1 0 325.792 3.572 20 0 EHADRM CC[C@H]1C[C@H](CC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CCO1 ZINC000909288668 981460317 /nfs/dbraw/zinc/46/03/17/981460317.db2.gz ULZDEUPCZBNZHQ-CJNGLKHVSA-N -1 0 333.428 3.583 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C[C@H](c2ccc(O)cc2)C2CC2)cc1F ZINC000909295224 981463016 /nfs/dbraw/zinc/46/30/16/981463016.db2.gz BJRKTXKUYXLRHC-INIZCTEOSA-N -1 0 343.354 3.752 20 0 EHADRM C[C@@H](CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1c[nH]c2ccccc21 ZINC000909480922 981505723 /nfs/dbraw/zinc/50/57/23/981505723.db2.gz CRVPRONQELKKAG-GJZGRUSLSA-N -1 0 342.439 3.765 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@@H]1CCC(=O)c2ccccc21 ZINC000909513043 981520661 /nfs/dbraw/zinc/52/06/61/981520661.db2.gz MTEFDDSPCIJZBT-OAHLLOKOSA-N -1 0 337.375 3.700 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N(C)[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000909548995 981538666 /nfs/dbraw/zinc/53/86/66/981538666.db2.gz KGBFGRNFHDJFOJ-TZMCWYRMSA-N -1 0 346.452 3.749 20 0 EHADRM CCC[C@@H](CC)[S@@](=O)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001595587324 981540567 /nfs/dbraw/zinc/54/05/67/981540567.db2.gz IZMYPXGFCUNKCX-CMJOXMDJSA-N -1 0 335.425 3.867 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000909557534 981541669 /nfs/dbraw/zinc/54/16/69/981541669.db2.gz KPWSKVCMTXBUHU-KVPUOBJLSA-N -1 0 325.364 3.604 20 0 EHADRM C[C@@H](NC(=O)C12CCC(C(=O)[O-])(CC1)CC2)c1cccc(F)c1F ZINC000909677635 981567693 /nfs/dbraw/zinc/56/76/93/981567693.db2.gz MSBHOXCNNKVNJD-IPPDQLOFSA-N -1 0 337.366 3.567 20 0 EHADRM CC[C@@H](SC)C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000909692224 981572185 /nfs/dbraw/zinc/57/21/85/981572185.db2.gz BRRNTZRNFAVHMM-JKSUJKDBSA-N -1 0 331.437 3.613 20 0 EHADRM C[C@H](NC(=O)C12CCC(C(=O)[O-])(CC1)C2)c1cc2ccccc2o1 ZINC000909730396 981583223 /nfs/dbraw/zinc/58/32/23/981583223.db2.gz JBASBYGNVBIZKJ-RMEHTXHKSA-N -1 0 327.380 3.645 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C1(Cc2cccs2)CCCCC1 ZINC000909802612 981632505 /nfs/dbraw/zinc/63/25/05/981632505.db2.gz CQJLTZYKPKCPPR-UKRRQHHQSA-N -1 0 335.469 3.563 20 0 EHADRM CC[C@](O)(CC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1)c1ccccc1 ZINC000909831733 981648896 /nfs/dbraw/zinc/64/88/96/981648896.db2.gz CTYZNJCSGDYFQK-XOBRGWDASA-N -1 0 341.407 3.501 20 0 EHADRM Cc1ccc2c(c1)CC[C@@H](C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1)O2 ZINC000909836302 981656524 /nfs/dbraw/zinc/65/65/24/981656524.db2.gz OHJQJRGDQDMEIX-ACJLOTCBSA-N -1 0 339.391 3.515 20 0 EHADRM Cc1sc(CC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)nc1C(C)C ZINC000909837763 981658892 /nfs/dbraw/zinc/65/88/92/981658892.db2.gz ZVLZBRIEXOXQMP-NSHDSACASA-N -1 0 346.452 3.944 20 0 EHADRM Cc1sc(CC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)nc1C(C)C ZINC000909837762 981659152 /nfs/dbraw/zinc/65/91/52/981659152.db2.gz ZVLZBRIEXOXQMP-LLVKDONJSA-N -1 0 346.452 3.944 20 0 EHADRM CC[C@@H]1C[C@@H](C(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)CCO1 ZINC000909845232 981669479 /nfs/dbraw/zinc/66/94/79/981669479.db2.gz RFSCEFKZTADBMH-GVDBMIGSSA-N -1 0 339.476 3.512 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC001594757771 981681443 /nfs/dbraw/zinc/68/14/43/981681443.db2.gz OFSAPHUNLIGCIQ-RNFRBKRXSA-N -1 0 338.618 3.935 20 0 EHADRM CCC[C@H]1C[C@H](C(=O)Nc2cc(C(=O)[O-])ccc2Cl)CCO1 ZINC001595620287 981687636 /nfs/dbraw/zinc/68/76/36/981687636.db2.gz CHYDOXCONSQUDZ-PWSUYJOCSA-N -1 0 325.792 3.572 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1 ZINC001594761836 981694464 /nfs/dbraw/zinc/69/44/64/981694464.db2.gz ICTVTBCYVZBGPI-SNVBAGLBSA-N -1 0 337.297 3.820 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@@H](C)c1c(F)cccc1F)c1ccccc1 ZINC001594763585 981699921 /nfs/dbraw/zinc/69/99/21/981699921.db2.gz AFHUJBBOJPZLBN-BLLLJJGKSA-N -1 0 347.361 3.965 20 0 EHADRM CCC[C@@H]1CCCC[C@H]1NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001595622676 981712688 /nfs/dbraw/zinc/71/26/88/981712688.db2.gz VKAODZVMCLPLLC-CZUORRHYSA-N -1 0 342.439 3.884 20 0 EHADRM CCC/C=C\C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC001595624509 981732928 /nfs/dbraw/zinc/73/29/28/981732928.db2.gz XVTMDZGIWFZEDF-ZFDPJTLLSA-N -1 0 345.317 3.574 20 0 EHADRM CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1ccoc1CC(=O)[O-] ZINC000910026215 981737587 /nfs/dbraw/zinc/73/75/87/981737587.db2.gz AIWNQQZZZHKYDI-LIRRHRJNSA-N -1 0 341.407 3.596 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1CCC[C@H]3CCCC[C@@H]31)C2 ZINC000910039994 981739992 /nfs/dbraw/zinc/73/99/92/981739992.db2.gz KPOQWCRIIFEKRM-JEBQAFNWSA-N -1 0 327.424 3.834 20 0 EHADRM C[C@@H](c1ccc(C(=O)N2CCCCC[C@H]2C(=O)[O-])cc1)C(F)(F)F ZINC000910047682 981744551 /nfs/dbraw/zinc/74/45/51/981744551.db2.gz ZUUIEWRETMTTHL-FZMZJTMJSA-N -1 0 343.345 3.822 20 0 EHADRM CS[C@H](C)CC(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC000910078822 981753037 /nfs/dbraw/zinc/75/30/37/981753037.db2.gz JYJVUNPHJQHYNA-SSDOTTSWSA-N -1 0 346.246 3.536 20 0 EHADRM CC[C@@H](C(=O)Oc1ccc(C(=O)[O-])cc1OC)c1ccc(OC)cc1 ZINC001594777986 981771972 /nfs/dbraw/zinc/77/19/72/981771972.db2.gz HEPWSEGXXZSABC-OAHLLOKOSA-N -1 0 344.363 3.501 20 0 EHADRM O=C([O-])Cc1ccc(CNC(=O)[C@H]2CCC[C@H]2c2ccccc2)cc1 ZINC000910193079 981777861 /nfs/dbraw/zinc/77/78/61/981777861.db2.gz CNQOTPTZJRCXBK-OALUTQOASA-N -1 0 337.419 3.514 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)CCCOc1ccc(C)cc1 ZINC001594780700 981785139 /nfs/dbraw/zinc/78/51/39/981785139.db2.gz HHNPCONNQFTXET-HXUWFJFHSA-N -1 0 347.455 3.646 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)CCCOc1cccc(C)c1 ZINC001594782107 981789151 /nfs/dbraw/zinc/78/91/51/981789151.db2.gz NBZNWUGEHHRJKM-FQEVSTJZSA-N -1 0 347.455 3.646 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)/C=C/c1ccc(Cl)cc1 ZINC001594783390 981794399 /nfs/dbraw/zinc/79/43/99/981794399.db2.gz WXJPCZQQJNGAES-MZEUMTGBSA-N -1 0 335.831 3.845 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)CSc1cc(C)ccc1C ZINC001594783698 981796013 /nfs/dbraw/zinc/79/60/13/981796013.db2.gz ZKWFHFUEXQBVRD-IBGZPJMESA-N -1 0 349.496 3.887 20 0 EHADRM C/C(=C/c1ccccc1)CN(C)C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000910240850 981807621 /nfs/dbraw/zinc/80/76/21/981807621.db2.gz CSYJFLGCIXWSBQ-PEZBUJJGSA-N -1 0 341.451 3.974 20 0 EHADRM CC(C)[C@@H]1C[C@H](CC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CCO1 ZINC000910298215 981852315 /nfs/dbraw/zinc/85/23/15/981852315.db2.gz JZGFCWHMCSEAKK-RNJTYBCJSA-N -1 0 345.439 3.655 20 0 EHADRM CCCC[C@H](CC)CNS(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001595633031 981864524 /nfs/dbraw/zinc/86/45/24/981864524.db2.gz ZURRDUOOTQYSMW-NSHDSACASA-N -1 0 347.864 3.533 20 0 EHADRM CCc1cc2c(nc(C)nc2N[C@@H](C)c2ncc(C(=O)[O-])s2)s1 ZINC000910320218 981874078 /nfs/dbraw/zinc/87/40/78/981874078.db2.gz KBNSBHQNVZMVFF-ZETCQYMHSA-N -1 0 348.453 3.890 20 0 EHADRM CCCC[C@H](NC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001595634210 981883777 /nfs/dbraw/zinc/88/37/77/981883777.db2.gz KQJYNGMWZCAVGV-MFKMUULPSA-N -1 0 331.334 3.569 20 0 EHADRM CSc1cc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c(C)o1 ZINC000910360861 981890935 /nfs/dbraw/zinc/89/09/35/981890935.db2.gz KXFHOIGICBBESL-LLVKDONJSA-N -1 0 331.393 3.529 20 0 EHADRM CCC(C)(C)N(C)C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC001594801190 981895655 /nfs/dbraw/zinc/89/56/55/981895655.db2.gz GJJFJBMZDZCJSZ-UHFFFAOYSA-N -1 0 334.441 3.930 20 0 EHADRM CCC(C)(C)OCC(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001594808533 981919861 /nfs/dbraw/zinc/91/98/61/981919861.db2.gz PEMLTFQNCPSLOB-ZDUSSCGKSA-N -1 0 348.317 3.737 20 0 EHADRM CCCC[C@@H](N[C@H](C)c1nc(-c2ccc(CC)cc2)no1)C(=O)[O-] ZINC001595637602 981932995 /nfs/dbraw/zinc/93/29/95/981932995.db2.gz MIHWSHHBYPYSAZ-IUODEOHRSA-N -1 0 331.416 3.593 20 0 EHADRM CCC(C)(C)c1ccc(CNC(=O)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC001594813995 981935026 /nfs/dbraw/zinc/93/50/26/981935026.db2.gz BYAYMAKXNOHUKJ-UHFFFAOYSA-N -1 0 329.396 3.904 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H](OCC1CCCC1)c1ccccc1 ZINC001594816970 981953763 /nfs/dbraw/zinc/95/37/63/981953763.db2.gz LFFJGBSNIRTGEP-UYAOXDASSA-N -1 0 347.455 3.694 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCSC[C@@H]2c2ccccc2)s1 ZINC000910517585 981982544 /nfs/dbraw/zinc/98/25/44/981982544.db2.gz UOJDPCUUAMGVGX-CYBMUJFWSA-N -1 0 347.461 3.767 20 0 EHADRM C[C@H]1CCN(C(=O)CCc2ccccc2C(=O)[O-])[C@@H]1c1ccccc1 ZINC000910544530 981988117 /nfs/dbraw/zinc/98/81/17/981988117.db2.gz JDJJASISWIZZSN-YWZLYKJASA-N -1 0 337.419 3.927 20 0 EHADRM CCCC[C@@H](OC(=O)c1cc(F)c(C(F)(F)F)cc1F)C(=O)[O-] ZINC001595649948 982007525 /nfs/dbraw/zinc/00/75/25/982007525.db2.gz FAYIMRHOHAFAFA-LLVKDONJSA-N -1 0 340.244 3.784 20 0 EHADRM CCCC[C@H](OC(=O)c1cc(F)c(C(F)(F)F)cc1F)C(=O)[O-] ZINC001595649958 982008008 /nfs/dbraw/zinc/00/80/08/982008008.db2.gz FAYIMRHOHAFAFA-NSHDSACASA-N -1 0 340.244 3.784 20 0 EHADRM CCCC[C@@H](S[C@H](C(=O)OC)c1ccccc1Cl)C(=O)[O-] ZINC001595651255 982019845 /nfs/dbraw/zinc/01/98/45/982019845.db2.gz DNKAVPPDMLDJQP-OLZOCXBDSA-N -1 0 330.833 3.931 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000910622914 982031197 /nfs/dbraw/zinc/03/11/97/982031197.db2.gz YUZMEULFISRYNC-LSDHHAIUSA-N -1 0 343.354 3.665 20 0 EHADRM O=C([O-])C12CCC(C(=O)Nc3nc4c(s3)CCCCC4)(CC1)CC2 ZINC000910630797 982034076 /nfs/dbraw/zinc/03/40/76/982034076.db2.gz DWLFCIQGPQVHGL-UHFFFAOYSA-N -1 0 348.468 3.776 20 0 EHADRM CCCC[C@H](S[C@H](C)C(=O)Nc1cc(C)ccc1OC)C(=O)[O-] ZINC001595652695 982035959 /nfs/dbraw/zinc/03/59/59/982035959.db2.gz WKBHZPPJAGUHSM-DOMZBBRYSA-N -1 0 339.457 3.707 20 0 EHADRM CC(C)CCn1ncc(NC(=O)CC(C)(C)CC(=O)[O-])c1C(C)C ZINC000910656926 982044299 /nfs/dbraw/zinc/04/42/99/982044299.db2.gz QXEVMKKWLVWOSG-UHFFFAOYSA-N -1 0 337.464 3.882 20 0 EHADRM CCc1c(NC(=O)/C=C\c2cc(C(=O)[O-])co2)cnn1C(CC)CC ZINC000910656661 982044371 /nfs/dbraw/zinc/04/43/71/982044371.db2.gz OMPZLZMVXKWHQT-FPLPWBNLSA-N -1 0 345.399 3.750 20 0 EHADRM CCCC[C@@H](S[C@@H]1CCN(c2cccc(Cl)c2)C1=O)C(=O)[O-] ZINC001595656549 982054113 /nfs/dbraw/zinc/05/41/13/982054113.db2.gz ZUFRWEOIARUNOP-ZIAGYGMSSA-N -1 0 341.860 3.822 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)C1CC1 ZINC001594841516 982055579 /nfs/dbraw/zinc/05/55/79/982055579.db2.gz KAIXMHOPEZSZIC-MRXNPFEDSA-N -1 0 340.807 3.504 20 0 EHADRM O=C([O-])[C@@H]1CCc2sc(NC(=O)c3sccc3C3CC3)nc2C1 ZINC000910680110 982055901 /nfs/dbraw/zinc/05/59/01/982055901.db2.gz NAIQACZUOYOKHO-SECBINFHSA-N -1 0 348.449 3.524 20 0 EHADRM CC(C)c1sc(NC(=O)CSc2ccccc2)nc1C(=O)[O-] ZINC000910696497 982068279 /nfs/dbraw/zinc/06/82/79/982068279.db2.gz FWJQSIAXRRXNAD-UHFFFAOYSA-N -1 0 336.438 3.696 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)cc1C ZINC000910702054 982072065 /nfs/dbraw/zinc/07/20/65/982072065.db2.gz ARQJVLYHULCKOS-UHFFFAOYSA-N -1 0 346.408 3.728 20 0 EHADRM CCCC[C@H]1CCC[C@@H]1NC(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC001595660662 982072552 /nfs/dbraw/zinc/07/25/52/982072552.db2.gz LQWHLDPUVNUMFK-KSSFIOAISA-N -1 0 344.455 3.811 20 0 EHADRM CC[C@@](C)(NCc1coc(-c2ccc(C(=O)[O-])cc2)n1)C(F)(F)F ZINC001594852750 982097306 /nfs/dbraw/zinc/09/73/06/982097306.db2.gz RFXGMRCWNDXUFK-OAHLLOKOSA-N -1 0 342.317 3.860 20 0 EHADRM O=C([O-])c1nc(NC(=O)[C@@H]2C[C@H]2c2ccsc2)sc1C1CC1 ZINC000910741230 982101913 /nfs/dbraw/zinc/10/19/13/982101913.db2.gz GKIMWFGDIKLPCC-VHSXEESVSA-N -1 0 334.422 3.522 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)NC3CC(CC(=O)[O-])C3)c(F)c2)cc1 ZINC000910813054 982134596 /nfs/dbraw/zinc/13/45/96/982134596.db2.gz PDEYRPSWLHAYBZ-UHFFFAOYSA-N -1 0 341.382 3.784 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(Cl)cc3ccccc32)C[C@H]1CC(=O)[O-] ZINC000910854742 982146089 /nfs/dbraw/zinc/14/60/89/982146089.db2.gz IKSFLIFFNRXRIF-DGCLKSJQSA-N -1 0 331.799 3.676 20 0 EHADRM CSc1ccc(NC(=O)CO[C@@H]2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC000910948904 982173629 /nfs/dbraw/zinc/17/36/29/982173629.db2.gz BOGXGUMAYOWNFP-DGCLKSJQSA-N -1 0 337.441 3.641 20 0 EHADRM CC[C@H](C)[C@H](C(=O)O[C@H](C)c1nc(C(=O)[O-])co1)c1ccccc1 ZINC001594873041 982190638 /nfs/dbraw/zinc/19/06/38/982190638.db2.gz IQFSYUCALRLVGW-ZOWXZIJZSA-N -1 0 331.368 3.807 20 0 EHADRM Cc1cc(NC(=O)c2cnn(CC(C)C)c2C2CC2)cc(C(=O)[O-])c1 ZINC000911065540 982222642 /nfs/dbraw/zinc/22/26/42/982222642.db2.gz AOAOBNMQCJLNLZ-UHFFFAOYSA-N -1 0 341.411 3.675 20 0 EHADRM CCCCCC[C@@H](C)CC(=O)N[C@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC001595696970 982236025 /nfs/dbraw/zinc/23/60/25/982236025.db2.gz GPLXVUWFSDCNID-KUHUBIRLSA-N -1 0 347.455 3.860 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C)C(=O)[O-] ZINC001594884537 982263795 /nfs/dbraw/zinc/26/37/95/982263795.db2.gz WGRJHFXRNKJTMH-GRDNDAEWSA-N -1 0 335.444 3.501 20 0 EHADRM CCCCCCO[C@@H](C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001595711397 982299229 /nfs/dbraw/zinc/29/92/29/982299229.db2.gz WETPZHJWAPGANX-NSHDSACASA-N -1 0 327.808 3.962 20 0 EHADRM CCCCCCO[C@@H](C)C(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001595711591 982300341 /nfs/dbraw/zinc/30/03/41/982300341.db2.gz YERPSWFGWYOUHB-JTQLQIEISA-N -1 0 327.446 3.987 20 0 EHADRM CCCCCCn1c2ccccc2nc1SC[C@H](O)CC(=O)[O-] ZINC001595714579 982310126 /nfs/dbraw/zinc/31/01/26/982310126.db2.gz FFOGSQKMHKSBGE-CYBMUJFWSA-N -1 0 336.457 3.544 20 0 EHADRM CCCCCn1cc(C(=O)N2CCC(C(=O)[O-])CC2)c2ccccc21 ZINC001595727725 982353502 /nfs/dbraw/zinc/35/35/02/982353502.db2.gz IYRRYPSNICQHMM-UHFFFAOYSA-N -1 0 342.439 3.768 20 0 EHADRM CC(C)(CC(F)(F)F)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC000911387677 982412051 /nfs/dbraw/zinc/41/20/51/982412051.db2.gz RXRAXVSZTURHCM-UHFFFAOYSA-N -1 0 328.290 3.783 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)c2cccc(CC(=O)[O-])c2)cc1 ZINC000911392026 982414521 /nfs/dbraw/zinc/41/45/21/982414521.db2.gz ZJPFRQNXYDDQPT-UHFFFAOYSA-N -1 0 339.391 3.795 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)c2cc(C(=O)[O-])ccc2Cl)n1 ZINC000911391909 982414723 /nfs/dbraw/zinc/41/47/23/982414723.db2.gz XCVDEQKOHKILGW-INIZCTEOSA-N -1 0 344.798 3.719 20 0 EHADRM CCCCN(Cc1c(C)oc(C)c1C)C(=O)c1ccc(C(=O)[O-])n1C ZINC001595749115 982420048 /nfs/dbraw/zinc/42/00/48/982420048.db2.gz HMMULPXXSYOYRD-UHFFFAOYSA-N -1 0 346.427 3.684 20 0 EHADRM Cc1cccc([C@H](C)CNC(=O)CCc2ccccc2C(=O)[O-])c1 ZINC000911430055 982429646 /nfs/dbraw/zinc/42/96/46/982429646.db2.gz ZJCJSWDJRUXZPN-OAHLLOKOSA-N -1 0 325.408 3.546 20 0 EHADRM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)C[C@@H](C)CC(=O)[O-] ZINC000911494699 982455021 /nfs/dbraw/zinc/45/50/21/982455021.db2.gz WWJHPZBKVQDBBU-UKRRQHHQSA-N -1 0 332.444 3.813 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N1CC[C@H](C2CCCC2)C1)C(=O)[O-] ZINC000911496346 982456419 /nfs/dbraw/zinc/45/64/19/982456419.db2.gz GOHCRMMSISTNLK-HIFRSBDPSA-N -1 0 347.480 3.904 20 0 EHADRM CC(C)(C)Oc1cc(F)ccc1NC(=O)c1cccc(CC(=O)[O-])c1 ZINC000911497728 982457502 /nfs/dbraw/zinc/45/75/02/982457502.db2.gz LNCQWQFRZHYVBP-UHFFFAOYSA-N -1 0 345.370 3.882 20 0 EHADRM CCCCNc1ccccc1C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001595763972 982476548 /nfs/dbraw/zinc/47/65/48/982476548.db2.gz VGPPUSKXURHSQJ-UHFFFAOYSA-N -1 0 340.423 3.869 20 0 EHADRM CCCCO[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(C(=O)[O-])c2)C1(C)C ZINC001595770515 982507968 /nfs/dbraw/zinc/50/79/68/982507968.db2.gz JDAQKXSZHVPIGK-HZPDHXFCSA-N -1 0 348.443 3.832 20 0 EHADRM O=C([O-])c1coc(C(=O)N2CC3(CCCC3)c3cccc(F)c32)c1 ZINC000911586710 982517253 /nfs/dbraw/zinc/51/72/53/982517253.db2.gz GVOOGIUDLHFJIF-UHFFFAOYSA-N -1 0 329.327 3.589 20 0 EHADRM C[C@@H]1CCCC[C@@H]1C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000911598070 982529636 /nfs/dbraw/zinc/52/96/36/982529636.db2.gz HSZWTTHYIKHIBK-KDOFPFPSSA-N -1 0 344.455 3.614 20 0 EHADRM CC[C@H](C)[C@H](Sc1nnc(-c2ccc(C)cc2)n1CC)C(=O)[O-] ZINC001594930157 982551680 /nfs/dbraw/zinc/55/16/80/982551680.db2.gz VVADQLQYPLKTGT-JSGCOSHPSA-N -1 0 333.457 3.865 20 0 EHADRM CC[C@@H](C)[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)[O-] ZINC001594930668 982554403 /nfs/dbraw/zinc/55/44/03/982554403.db2.gz ZDUYTSMJGGFQJT-DOMZBBRYSA-N -1 0 345.468 3.795 20 0 EHADRM CCCCOc1ccccc1NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001595781062 982558663 /nfs/dbraw/zinc/55/86/63/982558663.db2.gz OZFOCDBQQJAZTM-KGLIPLIRSA-N -1 0 334.416 3.630 20 0 EHADRM CCCCOc1ccccc1NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001595781233 982561063 /nfs/dbraw/zinc/56/10/63/982561063.db2.gz VKOCAZLFAHCMRC-HNNXBMFYSA-N -1 0 348.443 3.974 20 0 EHADRM CCCCS[C@H](C)C(=O)Oc1cc(/C=C/C(=O)[O-])ccc1OC ZINC001595788860 982586027 /nfs/dbraw/zinc/58/60/27/982586027.db2.gz DQZQNRSBIITHEY-YPUOHESYSA-N -1 0 338.425 3.620 20 0 EHADRM O=C([O-])C12CCC(C(=O)NC[C@H]3CCC[C@H]3c3ccccc3)(CC1)C2 ZINC000911664951 982593210 /nfs/dbraw/zinc/59/32/10/982593210.db2.gz OBWPYNLSCMMDJC-UUBYJMPYSA-N -1 0 341.451 3.722 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)/C=C/c1csc(C(F)(F)F)c1)C(=O)[O-] ZINC001594937912 982603501 /nfs/dbraw/zinc/60/35/01/982603501.db2.gz AUTPFQZEQXWSDO-ALWPCLGOSA-N -1 0 349.374 3.786 20 0 EHADRM CCCCc1nc(C)c(CC(=O)Nc2cc(C)cc(C(=O)[O-])c2)s1 ZINC001595797933 982609126 /nfs/dbraw/zinc/60/91/26/982609126.db2.gz YWRLTOSWAXRIAS-UHFFFAOYSA-N -1 0 346.452 3.982 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)Cc1ccccc1OC1CCCC1)C(=O)[O-] ZINC001594941770 982614058 /nfs/dbraw/zinc/61/40/58/982614058.db2.gz CEROHDMJBAQRBG-RHSMWYFYSA-N -1 0 347.455 3.556 20 0 EHADRM CCCc1occc1C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC000911733855 982618362 /nfs/dbraw/zinc/61/83/62/982618362.db2.gz LAYMMDYYZZAUHS-UHFFFAOYSA-N -1 0 331.368 3.970 20 0 EHADRM CC(C)Oc1c(NC(=O)CCCc2ccccn2)cccc1C(=O)[O-] ZINC000911738032 982619876 /nfs/dbraw/zinc/61/98/76/982619876.db2.gz MULNPXHQJXPGNX-UHFFFAOYSA-N -1 0 342.395 3.528 20 0 EHADRM Cc1ccc(CC(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)s1 ZINC000911739879 982622802 /nfs/dbraw/zinc/62/28/02/982622802.db2.gz ZXXQLHNMXMEJHN-UHFFFAOYSA-N -1 0 333.409 3.723 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)c1cccc(-c2csc(C)n2)c1)C(=O)[O-] ZINC001594945713 982634836 /nfs/dbraw/zinc/63/48/36/982634836.db2.gz GLVPOEBWVCRJBS-ABAIWWIYSA-N -1 0 346.452 3.738 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)c1ccccc1CCC(F)(F)F)C(=O)[O-] ZINC001594946999 982645951 /nfs/dbraw/zinc/64/59/51/982645951.db2.gz WCCRIZRIWCJEGI-RISCZKNCSA-N -1 0 345.361 3.801 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)c1nc2ccccc2cc1C1CC1)C(=O)[O-] ZINC001594950283 982658662 /nfs/dbraw/zinc/65/86/62/982658662.db2.gz XAAAXDBVRVLKEO-YVEFUNNKSA-N -1 0 340.423 3.731 20 0 EHADRM CCCN(C(=O)/C=C/c1ccccc1O[C@H](C)CC)[C@@H](C)C(=O)[O-] ZINC001595816366 982672022 /nfs/dbraw/zinc/67/20/22/982672022.db2.gz HXBZFFFPZSXEEF-BOXZDTQESA-N -1 0 333.428 3.589 20 0 EHADRM CC(C)(C)n1nc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1C1CC1 ZINC000917660248 982680967 /nfs/dbraw/zinc/68/09/67/982680967.db2.gz VPAXUOXBEXDQIP-UHFFFAOYSA-N -1 0 345.374 3.605 20 0 EHADRM CC[C@@H](C)CCNC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001594959547 982707754 /nfs/dbraw/zinc/70/77/54/982707754.db2.gz XSMKUGHQEGBGTO-CYBMUJFWSA-N -1 0 344.411 3.861 20 0 EHADRM COc1ccc(OC(C)(C)C(=O)Nc2cc(C(=O)[O-])sc2C)cc1 ZINC000923093340 982718144 /nfs/dbraw/zinc/71/81/44/982718144.db2.gz AVCIZQQRKDSABF-UHFFFAOYSA-N -1 0 349.408 3.559 20 0 EHADRM O=C([O-])c1ccccc1-c1ccccc1C(=O)NC[C@]12C[C@H]1CCC2 ZINC000923110853 982731873 /nfs/dbraw/zinc/73/18/73/982731873.db2.gz FHJZXRVVGWTJTA-SZNDQCEHSA-N -1 0 335.403 3.972 20 0 EHADRM O=C([O-])c1ccccc1CCNC(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC000923124199 982743352 /nfs/dbraw/zinc/74/33/52/982743352.db2.gz UXEVXCVYJNWDIC-JCNLHEQBSA-N -1 0 329.440 3.650 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)Cc1coc2c1ccc(Cl)c2C ZINC001594974613 982746075 /nfs/dbraw/zinc/74/60/75/982746075.db2.gz IJQQLEGKVGAQCU-JTQLQIEISA-N -1 0 337.803 3.649 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1sc(C2CCCCC2)nc1C ZINC001594978173 982758703 /nfs/dbraw/zinc/75/87/03/982758703.db2.gz JOEOAFFDHOZCPB-LLVKDONJSA-N -1 0 338.473 3.825 20 0 EHADRM CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001594985518 982802759 /nfs/dbraw/zinc/80/27/59/982802759.db2.gz RYXGKGXQPNKHSU-CYBMUJFWSA-N -1 0 329.371 3.965 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)N(C)C2(C(=O)[O-])CCCCC2)cc1 ZINC001595000471 982912598 /nfs/dbraw/zinc/91/25/98/982912598.db2.gz WIFMKENDWJJHBF-CQSZACIVSA-N -1 0 333.428 3.723 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)N1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC001595004177 982916595 /nfs/dbraw/zinc/91/65/95/982916595.db2.gz HXKCLYXKAFFGQC-MLOHMYSRSA-N -1 0 345.439 3.589 20 0 EHADRM CC[C@H](C)Sc1ccc(NC(=O)NC[C@H]2C[C@H]2C(=O)[O-])c(C)c1 ZINC001595004237 982917402 /nfs/dbraw/zinc/91/74/02/982917402.db2.gz IIGLKCXGMQQGGL-OUCADQQQSA-N -1 0 336.457 3.728 20 0 EHADRM CCCN(Cc1ccccc1F)C(=O)c1[nH]c(CC)c(C(=O)[O-])c1C ZINC001595891014 982923444 /nfs/dbraw/zinc/92/34/44/982923444.db2.gz JIPWGWQXWSQXAI-UHFFFAOYSA-N -1 0 346.402 3.775 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)NCc2cc(C)c(C(=O)[O-])o2)c1 ZINC001595008251 982928181 /nfs/dbraw/zinc/92/81/81/982928181.db2.gz MLIDWEACKHYQJV-GFCCVEGCSA-N -1 0 346.383 3.785 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H](C)OC2CCCCCC2)cc1 ZINC001116479143 982930267 /nfs/dbraw/zinc/93/02/67/982930267.db2.gz KFPJLLXMMBWTAY-QAPCUYQASA-N -1 0 347.455 3.755 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CC[C@H]2CCCC[C@@H]2C1)C(=O)[O-] ZINC001116480904 982930816 /nfs/dbraw/zinc/93/08/16/982930816.db2.gz VOWUBUOUOVLVRS-RRFJBIMHSA-N -1 0 347.480 3.904 20 0 EHADRM CC(C)(C)n1c2ccccc2nc1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001116507194 982932898 /nfs/dbraw/zinc/93/28/98/982932898.db2.gz HPKJCLPFDZWDJY-CHWSQXEVSA-N -1 0 343.427 3.621 20 0 EHADRM CC[C@H](C)c1ccc(COC(=O)CCCn2ccc(C(=O)[O-])n2)cc1 ZINC001595009593 982935373 /nfs/dbraw/zinc/93/53/73/982935373.db2.gz JWSJJYLEIGQAAU-AWEZNQCLSA-N -1 0 344.411 3.618 20 0 EHADRM CC[C@H](C)c1ccc(C(=O)COC(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC001595010542 982941188 /nfs/dbraw/zinc/94/11/88/982941188.db2.gz SWLVWMBVMIUJCC-NSHDSACASA-N -1 0 330.336 3.531 20 0 EHADRM CCCN(Cc1ccc(OC)cc1)[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001595899203 982948106 /nfs/dbraw/zinc/94/81/06/982948106.db2.gz IZSIFYBDNSOHHJ-GFCCVEGCSA-N -1 0 334.441 3.823 20 0 EHADRM CCCOc1ccc(CCC(=O)N(C)C2(C(=O)[O-])CCCCC2)cc1 ZINC001595954633 983139929 /nfs/dbraw/zinc/13/99/29/983139929.db2.gz RHOOLYHEGSVZQS-UHFFFAOYSA-N -1 0 347.455 3.654 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001595960870 983155503 /nfs/dbraw/zinc/15/55/03/983155503.db2.gz DWIJASVNQCYLOF-NEPJUHHUSA-N -1 0 340.807 3.504 20 0 EHADRM CCC[C@H](NC(=O)c1ccc(O[C@H](C)c2ccccc2)cc1)C(=O)[O-] ZINC001596020187 983282844 /nfs/dbraw/zinc/28/28/44/983282844.db2.gz DTMTXSANWJCZLN-KDOFPFPSSA-N -1 0 341.407 3.810 20 0 EHADRM CCCc1[nH]ccc1C(=O)N[C@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001596026705 983290259 /nfs/dbraw/zinc/29/02/59/983290259.db2.gz NKELTJCCISCZKO-SFHVURJKSA-N -1 0 348.830 3.741 20 0 EHADRM CCCc1c(C(=O)NC[C@@H]2CCCC[C@H]2CC)[nH]c(C)c1C(=O)[O-] ZINC001596038060 983326149 /nfs/dbraw/zinc/32/61/49/983326149.db2.gz WRDQTJWLMOMURU-KGLIPLIRSA-N -1 0 334.460 3.920 20 0 EHADRM CCCc1ccccc1NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001596070647 983386455 /nfs/dbraw/zinc/38/64/55/983386455.db2.gz RJNPKZUKLOKSOD-DNVCBOLYSA-N -1 0 330.428 3.748 20 0 EHADRM CCCn1c(C(=O)NCc2cccc(C(=O)[O-])c2)cc2ccccc21 ZINC001596107252 983431666 /nfs/dbraw/zinc/43/16/66/983431666.db2.gz CCFLDTMLIWQFPF-UHFFFAOYSA-N -1 0 336.391 3.680 20 0 EHADRM CCCn1c(C(=O)Nc2cnc(C)c(C(=O)[O-])c2)cc2ccccc21 ZINC001596108337 983434135 /nfs/dbraw/zinc/43/41/35/983434135.db2.gz XDJIBBNAFJYHJE-UHFFFAOYSA-N -1 0 337.379 3.705 20 0 EHADRM CCCn1ncc(NCc2ccc(O[C@H](C)C(=O)[O-])cc2)c1C1CC1 ZINC001596120553 983454871 /nfs/dbraw/zinc/45/48/71/983454871.db2.gz PMUKLEZFFQWYMH-CYBMUJFWSA-N -1 0 343.427 3.635 20 0 EHADRM CCN(C(=O)C(F)(F)c1ccccc1C)c1ccccc1C(=O)[O-] ZINC001596130911 983476793 /nfs/dbraw/zinc/47/67/93/983476793.db2.gz DMECTMWGGNNOJH-UHFFFAOYSA-N -1 0 333.334 3.838 20 0 EHADRM CCN(C(=O)C1(c2ccccc2)CCCCCC1)C(C)(C)C(=O)[O-] ZINC001596131562 983479184 /nfs/dbraw/zinc/47/91/84/983479184.db2.gz OVUJYISZQCOORG-UHFFFAOYSA-N -1 0 331.456 3.990 20 0 EHADRM CCN(C(=O)[C@@H]1Cc2ccc(C)cc2S1)c1ccccc1C(=O)[O-] ZINC001596137549 983486737 /nfs/dbraw/zinc/48/67/37/983486737.db2.gz LZGCUKSRPNOWED-KRWDZBQOSA-N -1 0 341.432 3.763 20 0 EHADRM CCN(C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC001596137504 983486799 /nfs/dbraw/zinc/48/67/99/983486799.db2.gz LNWJCCAJGWSWAL-RYUDHWBXSA-N -1 0 343.345 3.949 20 0 EHADRM CCN(C(=O)/C=C(\C)c1ccccc1OC)c1ccccc1C(=O)[O-] ZINC001596138561 983489473 /nfs/dbraw/zinc/48/94/73/983489473.db2.gz UNMYRWIHDUEEDY-BUHFOSPRSA-N -1 0 339.391 3.850 20 0 EHADRM CCN(C(=O)CCc1ccccc1C(=O)[O-])c1cc(C)ccc1C ZINC001596139909 983492250 /nfs/dbraw/zinc/49/22/50/983492250.db2.gz MPWHKCLQPIBVIW-UHFFFAOYSA-N -1 0 325.408 3.987 20 0 EHADRM CCN(C(=O)CNc1ccc(Cl)c(C(=O)[O-])c1)c1ccccc1 ZINC001596145856 983502190 /nfs/dbraw/zinc/50/21/90/983502190.db2.gz XUQFBLHGTSHCBG-UHFFFAOYSA-N -1 0 332.787 3.503 20 0 EHADRM CCN(C(=O)NCc1cc(C(=O)[O-])c(C)o1)[C@H](C)c1ccc(F)cc1 ZINC001596148859 983505692 /nfs/dbraw/zinc/50/56/92/983505692.db2.gz FBHUQMOJLMDMQT-LLVKDONJSA-N -1 0 348.374 3.718 20 0 EHADRM CCN(C(=O)c1cc(F)cc(C(=O)[O-])c1)[C@@H](C)c1cccc(OC)c1 ZINC001596164114 983526004 /nfs/dbraw/zinc/52/60/04/983526004.db2.gz CXNCFUUSNASLLA-LBPRGKRZSA-N -1 0 345.370 3.756 20 0 EHADRM CCN(C(=O)c1cccc(SC(F)(F)F)c1)C(C)(C)C(=O)[O-] ZINC001596170794 983536094 /nfs/dbraw/zinc/53/60/94/983536094.db2.gz MITDHBCTHYAFTH-UHFFFAOYSA-N -1 0 335.347 3.624 20 0 EHADRM CCN(CC)c1ccc(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001596289996 983710738 /nfs/dbraw/zinc/71/07/38/983710738.db2.gz VKHYDKRSTJQRHD-UHFFFAOYSA-N -1 0 326.396 3.792 20 0 EHADRM CCN(Cc1cc(C(=O)[O-])c(C)o1)Cc1nc2c(s1)C[C@H](C)CC2 ZINC001596354160 983815019 /nfs/dbraw/zinc/81/50/19/983815019.db2.gz BANYXYHUPJETGP-LLVKDONJSA-N -1 0 348.468 3.890 20 0 EHADRM CCN(Cc1ccc(Cl)cc1)C(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC001596359243 983832895 /nfs/dbraw/zinc/83/28/95/983832895.db2.gz AGBNFIJMBWDPKG-UHFFFAOYSA-N -1 0 335.831 3.724 20 0 EHADRM CCN(Cc1ccc(C)cc1)C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001596359913 983837230 /nfs/dbraw/zinc/83/72/30/983837230.db2.gz UGJNHPOWSITKFS-UHFFFAOYSA-N -1 0 347.802 3.796 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001596364927 983856197 /nfs/dbraw/zinc/85/61/97/983856197.db2.gz OIDDTHXSAPJQHN-MNOVXSKESA-N -1 0 344.864 3.576 20 0 EHADRM CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC001596384238 983910104 /nfs/dbraw/zinc/91/01/04/983910104.db2.gz OGLYSDOIVJNPQG-UHFFFAOYSA-N -1 0 347.436 3.525 20 0 EHADRM CCNc1ccccc1CN1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001596504182 984257954 /nfs/dbraw/zinc/25/79/54/984257954.db2.gz JOHLBVWQBRZAQE-OAHLLOKOSA-N -1 0 345.468 3.919 20 0 EHADRM C=Cc1ccccc1NC(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC001588921270 984578529 /nfs/dbraw/zinc/57/85/29/984578529.db2.gz DXSHLNVQJMXDFW-QGZVFWFLSA-N -1 0 338.407 3.927 20 0 EHADRM C/C(=C/C(=O)N[C@@H](C(=O)[O-])c1cc(C)cc(C)c1)c1cccc(F)c1 ZINC001588938475 984621932 /nfs/dbraw/zinc/62/19/32/984621932.db2.gz BUMKMOOQEKUJFW-LMICACPXSA-N -1 0 341.382 3.788 20 0 EHADRM C/C(=C/C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccccc1C ZINC001588938931 984625785 /nfs/dbraw/zinc/62/57/85/984625785.db2.gz IQJGJWMDBMQTRS-HVEPWOEZSA-N -1 0 335.403 3.609 20 0 EHADRM C/C(=C/C(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1)c1cccs1 ZINC001588939636 984630179 /nfs/dbraw/zinc/63/01/79/984630179.db2.gz QSWUGHGIAMKFQD-WVUXNXBLSA-N -1 0 329.421 3.792 20 0 EHADRM C/C(=C\C(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1)c1cccs1 ZINC001588939656 984630868 /nfs/dbraw/zinc/63/08/68/984630868.db2.gz RDPAAVGNHINPRI-NRMKIYEFSA-N -1 0 329.421 3.792 20 0 EHADRM C/C(=C/C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)c1cccc(Cl)c1 ZINC001588940198 984633453 /nfs/dbraw/zinc/63/34/53/984633453.db2.gz ZHZFLUVMMVVSLF-HBBBUGNISA-N -1 0 347.842 3.847 20 0 EHADRM C/C(=C\C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1cccs1 ZINC001588943776 984641187 /nfs/dbraw/zinc/64/11/87/984641187.db2.gz CKUFDSZADUSJPM-OVNLOREASA-N -1 0 327.405 3.581 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1csc2c1CCCC2 ZINC001599888539 984666377 /nfs/dbraw/zinc/66/63/77/984666377.db2.gz KSJNHJKPBJTCMM-CYBMUJFWSA-N -1 0 343.448 3.742 20 0 EHADRM C[C@H](CC1CCCCC1)NC(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001599891530 984700017 /nfs/dbraw/zinc/70/00/17/984700017.db2.gz UHBPJCWUFOSESF-SNVBAGLBSA-N -1 0 339.823 3.914 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001599892468 984711803 /nfs/dbraw/zinc/71/18/03/984711803.db2.gz QDMRXNCKBNZSOS-SNVBAGLBSA-N -1 0 335.762 3.995 20 0 EHADRM C/C(=C/CN1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1)C(=O)[O-] ZINC001588959974 984728692 /nfs/dbraw/zinc/72/86/92/984728692.db2.gz VZDKUSCGPQHYOV-QXSWTLKVSA-N -1 0 325.412 3.635 20 0 EHADRM C[C@H](NC(=O)Nc1cccc2cc(C(=O)[O-])sc21)C(F)(F)F ZINC001599894947 984741314 /nfs/dbraw/zinc/74/13/14/984741314.db2.gz KAXPKWDIMZXUBQ-LURJTMIESA-N -1 0 332.303 3.672 20 0 EHADRM C[C@H](NC(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccc(Cl)cn1 ZINC001599899468 984795006 /nfs/dbraw/zinc/79/50/06/984795006.db2.gz HEXZLHPFXMXAQF-QMMMGPOBSA-N -1 0 339.178 3.578 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])[nH]1)c1cc(Cl)ccc1Cl ZINC001599900756 984820031 /nfs/dbraw/zinc/82/00/31/984820031.db2.gz WKRHDLRHFLUORP-ZETCQYMHSA-N -1 0 327.167 3.511 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC001588995113 984921326 /nfs/dbraw/zinc/92/13/26/984921326.db2.gz DNXGNASTJLMAQM-NKAIQICCSA-N -1 0 329.440 3.796 20 0 EHADRM C/C(=C\c1c(Cl)cccc1Cl)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001588995954 984931330 /nfs/dbraw/zinc/93/13/30/984931330.db2.gz XQIYJMNUGHLXRZ-MXMFLMJRSA-N -1 0 340.206 3.686 20 0 EHADRM CC(=O)C(C)(C)CCC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001589023319 985022526 /nfs/dbraw/zinc/02/25/26/985022526.db2.gz OAWKMXDNRPUHHB-UHFFFAOYSA-N -1 0 329.755 3.511 20 0 EHADRM CC(=O)[C@@H](C)CCCCC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001589023819 985026246 /nfs/dbraw/zinc/02/62/46/985026246.db2.gz WQMXEFUPRQFRTE-NSHDSACASA-N -1 0 330.384 3.590 20 0 EHADRM CCO[C@@H](C(=O)N(c1ccccc1)[C@H](CC)C(=O)[O-])c1ccccc1 ZINC001596761182 985151768 /nfs/dbraw/zinc/15/17/68/985151768.db2.gz YRSSSNYQSYLKQU-QZTJIDSGSA-N -1 0 341.407 3.661 20 0 EHADRM CCO[C@H](C(=O)N(c1ccccc1)[C@@H](CC)C(=O)[O-])c1ccccc1 ZINC001596761183 985151947 /nfs/dbraw/zinc/15/19/47/985151947.db2.gz YRSSSNYQSYLKQU-ROUUACIJSA-N -1 0 341.407 3.661 20 0 EHADRM CCO[C@H](C)c1ncc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)s1 ZINC001596775241 985205653 /nfs/dbraw/zinc/20/56/53/985205653.db2.gz BAEHXHZKKYNXLC-WDEREUQCSA-N -1 0 348.424 3.681 20 0 EHADRM CCO[C@@H](C)c1nccn1Cc1c2ccccc2sc1C(=O)[O-] ZINC001596777092 985219230 /nfs/dbraw/zinc/21/92/30/985219230.db2.gz UJSDVKLMKNOXSG-NSHDSACASA-N -1 0 330.409 3.942 20 0 EHADRM CCOC1CC(CC(=O)Oc2cc3ccccc3cc2C(=O)[O-])C1 ZINC001596803597 985317028 /nfs/dbraw/zinc/31/70/28/985317028.db2.gz ZUYVUPOTPKJQMP-UHFFFAOYSA-N -1 0 328.364 3.649 20 0 EHADRM C[C@H]1Cc2ccccc2N(C(=O)CC(C)(C)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001599937443 985413553 /nfs/dbraw/zinc/41/35/53/985413553.db2.gz PPACSQHJPUMROW-IINYFYTJSA-N -1 0 343.345 3.644 20 0 EHADRM C[C@]1(C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)C[C@@H]1c1ccccc1 ZINC001599938037 985420482 /nfs/dbraw/zinc/42/04/82/985420482.db2.gz WRIILMHRVKZUMF-HLIPFELVSA-N -1 0 329.440 3.578 20 0 EHADRM C[Si](C)(C)CCCC(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC001599940501 985448443 /nfs/dbraw/zinc/44/84/43/985448443.db2.gz XEFATEOYMABPGI-UHFFFAOYSA-N -1 0 328.510 3.607 20 0 EHADRM Cc1[nH]c(C(=O)CN(c2ccccc2)C2CCC2)c(C)c1C(=O)[O-] ZINC001599943508 985485535 /nfs/dbraw/zinc/48/55/35/985485535.db2.gz BCIQHLPDFDHSAJ-UHFFFAOYSA-N -1 0 326.396 3.572 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)[C@@H]2CCCC[C@@H]21 ZINC001594479585 985517963 /nfs/dbraw/zinc/51/79/63/985517963.db2.gz LUKXQXRPCVBERS-KBRIMQKVSA-N -1 0 346.427 3.583 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccccc2SCc2occc2C(=O)[O-])[C@@H]1C ZINC001594494052 985622833 /nfs/dbraw/zinc/62/28/33/985622833.db2.gz JKPJCKLQDTXTIK-VXGBXAGGSA-N -1 0 345.420 3.751 20 0 EHADRM Cc1[nH]c(C(=O)NC[C@H]2CCC[C@@H]2c2ccccc2)c(C)c1C(=O)[O-] ZINC001599953226 985645228 /nfs/dbraw/zinc/64/52/28/985645228.db2.gz QBKVTDMGWUOOBK-HZPDHXFCSA-N -1 0 340.423 3.643 20 0 EHADRM Cc1[nH]c(C(=O)N[C@@H](C)c2oc3ccccc3c2C)c(C)c1C(=O)[O-] ZINC001599954086 985657459 /nfs/dbraw/zinc/65/74/59/985657459.db2.gz WBPDJCIATZNYSG-LBPRGKRZSA-N -1 0 340.379 3.875 20 0 EHADRM C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC2(CCC2)O1 ZINC001594500313 985675036 /nfs/dbraw/zinc/67/50/36/985675036.db2.gz HWSNYQJKBZVCQN-YGRLFVJLSA-N -1 0 344.238 3.763 20 0 EHADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN(C)[C@@H](C)c1ccccc1Cl ZINC001599956974 985705934 /nfs/dbraw/zinc/70/59/34/985705934.db2.gz FENWLAFLLUUASQ-NSHDSACASA-N -1 0 334.803 3.550 20 0 EHADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN[C@@H](C)c1oc2ccccc2c1C ZINC001599960111 985765887 /nfs/dbraw/zinc/76/58/87/985765887.db2.gz GFPKWNLNOUCLTH-LBPRGKRZSA-N -1 0 340.379 3.609 20 0 EHADRM CC(=O)c1c(C)cc(NC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)cc1C ZINC001589255645 985895248 /nfs/dbraw/zinc/89/52/48/985895248.db2.gz ZGWCGEBEFFIUHG-CQSZACIVSA-N -1 0 334.416 3.517 20 0 EHADRM CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)CC1CCC(C)(C)CC1 ZINC001596908109 985901882 /nfs/dbraw/zinc/90/18/82/985901882.db2.gz KYVVXIZHCRKIII-OAHLLOKOSA-N -1 0 341.492 3.569 20 0 EHADRM O=C([O-])c1csc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2Cl)c1 ZINC000191343236 1032111944 /nfs/dbraw/zinc/11/19/44/1032111944.db2.gz IIHZKWDOYQUETE-RKDXNWHRSA-N -1 0 339.775 3.981 20 0 EHADRM CC(=O)c1ccc(C(=O)N2CCCCc3cc(C(=O)[O-])ccc32)cc1 ZINC001589274076 985980872 /nfs/dbraw/zinc/98/08/72/985980872.db2.gz YUSMMVNEYCIMPM-UHFFFAOYSA-N -1 0 337.375 3.571 20 0 EHADRM CC(=O)c1ccc(F)cc1OCc1ccc(C(=O)[O-])c2cccnc12 ZINC001589284363 986020850 /nfs/dbraw/zinc/02/08/50/986020850.db2.gz ZHPCMCDOVKHBBW-UHFFFAOYSA-N -1 0 339.322 3.854 20 0 EHADRM CC(=O)c1ccc(NC(=S)NCCCCC2(C(=O)[O-])CCC2)cc1 ZINC001589290280 986025117 /nfs/dbraw/zinc/02/51/17/986025117.db2.gz OFFDDMKANBEWJI-UHFFFAOYSA-N -1 0 348.468 3.601 20 0 EHADRM Cc1c2ccccc2oc1C(=O)COC(=O)c1ccc(C(=O)[O-])s1 ZINC001599975182 986077502 /nfs/dbraw/zinc/07/75/02/986077502.db2.gz UWTZQCLNMOGFIV-UHFFFAOYSA-N -1 0 344.344 3.541 20 0 EHADRM CC(=O)c1cccc(C(=O)Nc2cccc(SCCC(=O)[O-])c2)c1 ZINC001589309833 986081669 /nfs/dbraw/zinc/08/16/69/986081669.db2.gz UNKURUDZRZIXTG-UHFFFAOYSA-N -1 0 343.404 3.708 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC001599976167 986094395 /nfs/dbraw/zinc/09/43/95/986094395.db2.gz PAQRKBABUSSUFK-RNCFNFMXSA-N -1 0 335.400 3.674 20 0 EHADRM Cc1c2cccc(Cl)c2[nH]c1C(=O)N[C@H](C(=O)[O-])c1ccsc1 ZINC001599977704 986116891 /nfs/dbraw/zinc/11/68/91/986116891.db2.gz FANLBDCCVWJTNY-ZDUSSCGKSA-N -1 0 348.811 3.747 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)C3Cc4ccccc4C3)ccc2n1C ZINC001599985632 986222382 /nfs/dbraw/zinc/22/23/82/986222382.db2.gz HSCDNCOGAHQOGV-UHFFFAOYSA-N -1 0 349.386 3.505 20 0 EHADRM CCOc1c(F)cccc1C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC001596991917 986273551 /nfs/dbraw/zinc/27/35/51/986273551.db2.gz WTUXPGXNSBYLFT-NSHDSACASA-N -1 0 331.343 3.665 20 0 EHADRM C[C@H](C(=O)N(CCc1ccccc1)CC(=O)[O-])c1ccc(Cl)cc1 ZINC001589343671 986275814 /nfs/dbraw/zinc/27/58/14/986275814.db2.gz WRNJABRPVFHXAF-AWEZNQCLSA-N -1 0 345.826 3.599 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001597008769 986336287 /nfs/dbraw/zinc/33/62/87/986336287.db2.gz DIRJKCVOLJXIAR-JTQLQIEISA-N -1 0 349.333 3.804 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)c1c(F)cccc1F ZINC001597010130 986349247 /nfs/dbraw/zinc/34/92/47/986349247.db2.gz VOWGLKXTSCJTTK-JTQLQIEISA-N -1 0 349.333 3.804 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)CCCC(=O)C(C)(C)C ZINC001597016364 986378851 /nfs/dbraw/zinc/37/88/51/986378851.db2.gz YHIJPWWOHUZULL-UHFFFAOYSA-N -1 0 335.400 3.508 20 0 EHADRM CCOc1cc(C)ccc1NC(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC001597030892 986445672 /nfs/dbraw/zinc/44/56/72/986445672.db2.gz FNPAWIGHISCONK-ZDUSSCGKSA-N -1 0 348.424 3.793 20 0 EHADRM CCOc1cc(C)ccc1NC(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001597033475 986464048 /nfs/dbraw/zinc/46/40/48/986464048.db2.gz WZMFIPKMJZTBLA-UHFFFAOYSA-N -1 0 348.443 3.940 20 0 EHADRM C[C@@H](C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001589385989 986483446 /nfs/dbraw/zinc/48/34/46/986483446.db2.gz RIVMKWCAMOIIBQ-MFKMUULPSA-N -1 0 345.361 3.815 20 0 EHADRM C[C@@H]1COc2ccccc2CN1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC001594607527 986582152 /nfs/dbraw/zinc/58/21/52/986582152.db2.gz LILSMNGCNMCQES-GFCCVEGCSA-N -1 0 331.799 3.821 20 0 EHADRM C[C@@H]1COc2ccccc2[C@H]1OC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001594608302 986592463 /nfs/dbraw/zinc/59/24/63/986592463.db2.gz XABRAHACDLXVGT-YJYMSZOUSA-N -1 0 340.375 3.630 20 0 EHADRM C[C@@H](C(=O)NCc1ccc(OCCCC(=O)[O-])cc1)[C@@H](C)C(C)(C)C ZINC001589416209 986652408 /nfs/dbraw/zinc/65/24/08/986652408.db2.gz SWQAKIMWKDAJKT-HUUCEWRRSA-N -1 0 349.471 3.865 20 0 EHADRM C[C@@H](C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001589423593 986680715 /nfs/dbraw/zinc/68/07/15/986680715.db2.gz LXEKWOKJTOEPQD-OLUVUFQESA-N -1 0 344.238 3.857 20 0 EHADRM C[C@H](C(=O)Nc1ccc(Br)c(C(=O)[O-])c1)C1CCCC1 ZINC001589431108 986725225 /nfs/dbraw/zinc/72/52/25/986725225.db2.gz DOFHHBRLSRBMHG-VIFPVBQESA-N -1 0 340.217 3.912 20 0 EHADRM CC(C(=O)Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1)=C1CCC1 ZINC001589444357 986798381 /nfs/dbraw/zinc/79/83/81/986798381.db2.gz LOEKUXPMNSHCAR-UHFFFAOYSA-N -1 0 328.393 3.947 20 0 EHADRM CCOc1ccc(NC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])cc1Cl ZINC001597120290 986810143 /nfs/dbraw/zinc/81/01/43/986810143.db2.gz HFRMSBKTKQKNAI-GXFFZTMASA-N -1 0 340.807 3.504 20 0 EHADRM C[C@@H](C(=O)Nc1ncc(C(=O)[O-])s1)c1ccc(C(F)(F)F)cc1 ZINC001589448165 986819123 /nfs/dbraw/zinc/81/91/23/986819123.db2.gz CNPUOVSXAQIAOU-SSDOTTSWSA-N -1 0 344.314 3.602 20 0 EHADRM CCOc1ccc2ccccc2c1C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC001597143734 986901139 /nfs/dbraw/zinc/90/11/39/986901139.db2.gz ICYKGLMYHDKCFX-OAHLLOKOSA-N -1 0 343.423 3.715 20 0 EHADRM CCOc1cccc(/C=C/C(=O)NC2(C(=O)[O-])CCC(CC)CC2)c1 ZINC001597150935 986931960 /nfs/dbraw/zinc/93/19/60/986931960.db2.gz VAHVEESWUYVRSF-CMDGGOBGSA-N -1 0 345.439 3.638 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NCc1cc(-c2ccccc2)on1)c1ccccc1 ZINC001589468788 986934500 /nfs/dbraw/zinc/93/45/00/986934500.db2.gz MSLGWTFTMMFYHL-LIRRHRJNSA-N -1 0 336.391 3.893 20 0 EHADRM C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001594665940 986962501 /nfs/dbraw/zinc/96/25/01/986962501.db2.gz OGVGNGSMPSCURN-BBBLOLIVSA-N -1 0 342.222 3.550 20 0 EHADRM CCOc1cccc(NC(=O)Nc2ccc(C(=O)[O-])cc2CC)c1 ZINC001597161606 986967793 /nfs/dbraw/zinc/96/77/93/986967793.db2.gz HPIVLXXBJKRPRF-UHFFFAOYSA-N -1 0 328.368 3.990 20 0 EHADRM C[C@@H]1c2ccc(F)cc2CCN1C(=O)c1ccccc1CCC(=O)[O-] ZINC001594669056 986978138 /nfs/dbraw/zinc/97/81/38/986978138.db2.gz ZJBOHJPQZXBDLA-CYBMUJFWSA-N -1 0 341.382 3.602 20 0 EHADRM CCOc1cccc2cc([C@H](C)N[C@H](C)c3nc(C(=O)[O-])co3)oc21 ZINC001597165674 986985604 /nfs/dbraw/zinc/98/56/04/986985604.db2.gz UVRMYYMZCTVINY-WDEREUQCSA-N -1 0 344.367 3.930 20 0 EHADRM C/C=C(/C=C\C(=O)N1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1)CC ZINC001594677303 987013533 /nfs/dbraw/zinc/01/35/33/987013533.db2.gz JHNGCRNBECUMLM-YWRSOHFSSA-N -1 0 349.377 3.504 20 0 EHADRM C/C=C\C[C@H]1CCCN(C(=O)c2[nH]c(C)c(C(=O)[O-])c2CCC)C1 ZINC001594686017 987060105 /nfs/dbraw/zinc/06/01/05/987060105.db2.gz LCNKSZIWJCNLCQ-SDQPKGBYSA-N -1 0 332.444 3.792 20 0 EHADRM C/C=C\COc1cccc(CC(=O)Nc2ccc(C)cc2C(=O)[O-])c1 ZINC001594689038 987072618 /nfs/dbraw/zinc/07/26/18/987072618.db2.gz MGGPHFZHAZFAKP-ARJAWSKDSA-N -1 0 339.391 3.829 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CCc3ccc(F)cc3C2)cc1 ZINC001589507989 987126452 /nfs/dbraw/zinc/12/64/52/987126452.db2.gz GEZZIAWWBLAXAB-GFCCVEGCSA-N -1 0 342.370 3.604 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2CCO[C@H](C(C)(C)C)CC2)cc1 ZINC001589508944 987131457 /nfs/dbraw/zinc/13/14/57/987131457.db2.gz OECVYHSWXXTJGH-BBRMVZONSA-N -1 0 348.443 3.544 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CCC[C@@H](C3CCC3)C2)cc1 ZINC001589509791 987133006 /nfs/dbraw/zinc/13/30/06/987133006.db2.gz QSLXECLGZNQRKQ-CZUORRHYSA-N -1 0 330.428 3.919 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2CCC(c3ccco3)CC2)cc1 ZINC001589510496 987135512 /nfs/dbraw/zinc/13/55/12/987135512.db2.gz UTILQLMKBKXRQT-ZDUSSCGKSA-N -1 0 342.395 3.879 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NC2CCC(C(F)F)CC2)cc1 ZINC001589511762 987142922 /nfs/dbraw/zinc/14/29/22/987142922.db2.gz CTADPMZQRUDDLL-PWQPVHBWSA-N -1 0 340.370 3.820 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NCC2CCC3(CC3)CC2)cc1 ZINC001589511977 987144964 /nfs/dbraw/zinc/14/49/64/987144964.db2.gz FMSYKNHAFFXQKF-CYBMUJFWSA-N -1 0 330.428 3.967 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C[C@@H]2C[C@H]2Cc2ccccc2)c(F)c1 ZINC001594703693 987146118 /nfs/dbraw/zinc/14/61/18/987146118.db2.gz LMFFRZQLPHVIEJ-CABCVRRESA-N -1 0 327.355 3.731 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N[C@H]2CCCc3occc32)cc1 ZINC001589513434 987158623 /nfs/dbraw/zinc/15/86/23/987158623.db2.gz TUXKGTXWAYBCPU-ABAIWWIYSA-N -1 0 328.368 3.667 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NCCCc2ccsc2)cc1 ZINC001589513515 987159616 /nfs/dbraw/zinc/15/96/16/987159616.db2.gz VLYRQDPLKSKBDT-LBPRGKRZSA-N -1 0 332.425 3.691 20 0 EHADRM CCC(=O)c1ccc(Cl)c(NC(=O)Cc2cccc(C(=O)[O-])c2)c1 ZINC001594716988 987191471 /nfs/dbraw/zinc/19/14/71/987191471.db2.gz KYYBDLFYCICYPR-UHFFFAOYSA-N -1 0 345.782 3.812 20 0 EHADRM CCC(=O)c1ccc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC001594717203 987192123 /nfs/dbraw/zinc/19/21/23/987192123.db2.gz SJOICZGCMDDXMH-UHFFFAOYSA-N -1 0 325.364 3.847 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cc(C=O)sc2Cl)c1 ZINC001589531434 987202957 /nfs/dbraw/zinc/20/29/57/987202957.db2.gz GFYSDZTYXCOFEJ-MRVPVSSYSA-N -1 0 337.784 3.654 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC[C@H](O)Cc2cccc(Cl)c2)c1 ZINC001589531929 987208491 /nfs/dbraw/zinc/20/84/91/987208491.db2.gz LEUAUJDACWBLKB-SJKOYZFVSA-N -1 0 333.815 3.544 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)Cc2cncc3ccccc32)c1 ZINC001589532239 987212485 /nfs/dbraw/zinc/21/24/85/987212485.db2.gz CPYMQIKULOKENA-ZDUSSCGKSA-N -1 0 334.375 3.604 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)Cc2ccc3cnccc3c2)c1 ZINC001589532520 987215733 /nfs/dbraw/zinc/21/57/33/987215733.db2.gz FHRVQDNWZPGNGV-ZDUSSCGKSA-N -1 0 334.375 3.604 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2nc(Cl)ccc2Cl)c1 ZINC001589532786 987218508 /nfs/dbraw/zinc/21/85/08/987218508.db2.gz VWNPMIOWIFFPCG-QMMMGPOBSA-N -1 0 339.178 3.829 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2ccc(F)c3ccncc23)c1 ZINC001589533173 987223650 /nfs/dbraw/zinc/22/36/50/987223650.db2.gz YOBCCBWKMGXGDS-NSHDSACASA-N -1 0 338.338 3.814 20 0 EHADRM C[C@@H](C(=O)O[C@@H](C(=O)[O-])c1ccccc1F)c1ccc(F)c(F)c1 ZINC001589538888 987232486 /nfs/dbraw/zinc/23/24/86/987232486.db2.gz AQRNCNZEGZCAAM-RFAUZJTJSA-N -1 0 338.281 3.577 20 0 EHADRM C[C@H](C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC001589540852 987248548 /nfs/dbraw/zinc/24/85/48/987248548.db2.gz SIEVBOAYZUZCDS-VFZGTOFNSA-N -1 0 338.281 3.577 20 0 EHADRM CCS[C@H]1CC[C@@H](N(C)C(=O)CC2(CC(=O)[O-])CCCC2)C1 ZINC001597257429 987262250 /nfs/dbraw/zinc/26/22/50/987262250.db2.gz VTRSQNDQDNVMRH-KGLIPLIRSA-N -1 0 327.490 3.544 20 0 EHADRM CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001597258204 987266777 /nfs/dbraw/zinc/26/67/77/987266777.db2.gz HXNSIFFFHXOMIL-HUUCEWRRSA-N -1 0 336.457 3.879 20 0 EHADRM CC[C@H](C(=O)Nc1cc(F)cc(C(=O)[O-])c1F)c1ccc(OC)cc1 ZINC001594735910 987271842 /nfs/dbraw/zinc/27/18/42/987271842.db2.gz QRHYSHIRCOUBSM-ZDUSSCGKSA-N -1 0 349.333 3.804 20 0 EHADRM CCSCC[C@H](C)NC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001597258993 987275577 /nfs/dbraw/zinc/27/55/77/987275577.db2.gz BVIHANDEGYYLFI-STQMWFEESA-N -1 0 338.473 3.603 20 0 EHADRM CC[C@H](C(=O)Nc1cc(CCC(=O)[O-])ccc1O)c1ccccc1 ZINC001594736367 987275700 /nfs/dbraw/zinc/27/57/00/987275700.db2.gz XYXXHCUZTQQBQD-HNNXBMFYSA-N -1 0 327.380 3.542 20 0 EHADRM CCSCc1ccc(NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1 ZINC001597265084 987294142 /nfs/dbraw/zinc/29/41/42/987294142.db2.gz GWIISZUUBBORTO-JKSUJKDBSA-N -1 0 348.468 3.514 20 0 EHADRM CCSCc1ccccc1-c1nc(-c2cc(C(=O)[O-])co2)no1 ZINC001597265498 987298389 /nfs/dbraw/zinc/29/83/89/987298389.db2.gz ZOOSVYIVPHEKKH-UHFFFAOYSA-N -1 0 330.365 3.948 20 0 EHADRM CCSc1cccc(F)c1NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001597277066 987333168 /nfs/dbraw/zinc/33/31/68/987333168.db2.gz FCBHPJSBUBAEBE-CMPLNLGQSA-N -1 0 340.420 3.703 20 0 EHADRM CCSc1ccccc1CC(=O)Nc1ccccc1CC(=O)[O-] ZINC001597279044 987339067 /nfs/dbraw/zinc/33/90/67/987339067.db2.gz ANGDIQLZVKLXPS-UHFFFAOYSA-N -1 0 329.421 3.607 20 0 EHADRM CC(C)(C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)c1cccc(O)c1 ZINC001589575972 987353707 /nfs/dbraw/zinc/35/37/07/987353707.db2.gz FCLHZOOBCXXKGW-UHFFFAOYSA-N -1 0 333.771 3.660 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C)c1ccccc1 ZINC001597285912 987363243 /nfs/dbraw/zinc/36/32/43/987363243.db2.gz GHAUZDKRBIWKJI-OAHLLOKOSA-N -1 0 341.411 3.724 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)N(CC1CC1)C1CCC1)c1ccccc1 ZINC001589591529 987396621 /nfs/dbraw/zinc/39/66/21/987396621.db2.gz KZRRWBLYKUVVEJ-KRWDZBQOSA-N -1 0 344.455 3.813 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)N1CC=CC12CCCC2)c1ccccc1 ZINC001589592000 987399834 /nfs/dbraw/zinc/39/98/34/987399834.db2.gz PNOVIZOOKPCDBH-MRXNPFEDSA-N -1 0 342.439 3.733 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1ccccc1 ZINC001589592290 987400817 /nfs/dbraw/zinc/40/08/17/987400817.db2.gz RXTPXUNGTOWLJL-WJFTUGDTSA-N -1 0 349.430 3.541 20 0 EHADRM CC(C)(C(=O)[O-])N(Cc1ccccc1)C(=O)c1cc(F)cc(Cl)c1 ZINC001589616488 987480694 /nfs/dbraw/zinc/48/06/94/987480694.db2.gz FCAXJLYFDSWMJR-UHFFFAOYSA-N -1 0 349.789 3.985 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(c2ncc(F)c(-c3ccsc3)n2)C1 ZINC001589616719 987483865 /nfs/dbraw/zinc/48/38/65/987483865.db2.gz DEQHOPCJILHEJP-GFCCVEGCSA-N -1 0 349.431 3.671 20 0 EHADRM CCc1[nH]c(C(=O)N[C@@H](C)Cc2ccccc2Cl)c(C)c1C(=O)[O-] ZINC001597363572 987531069 /nfs/dbraw/zinc/53/10/69/987531069.db2.gz LKEGHKTWMGZVKQ-JTQLQIEISA-N -1 0 348.830 3.598 20 0 EHADRM CCc1[nH]c(C(=O)NCc2c(C)oc3ccccc32)c(C)c1C(=O)[O-] ZINC001597369186 987552410 /nfs/dbraw/zinc/55/24/10/987552410.db2.gz JNJILLWFDHOZRO-UHFFFAOYSA-N -1 0 340.379 3.568 20 0 EHADRM CCc1[nH]c(C(=O)Nc2ccccc2NC2CCC2)c(C)c1C(=O)[O-] ZINC001597374333 987561246 /nfs/dbraw/zinc/56/12/46/987561246.db2.gz KDBGJNLUFBXYID-UHFFFAOYSA-N -1 0 341.411 3.800 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(NC(=O)C/C=C\Cc2ccccc2)n1 ZINC001589648772 987582625 /nfs/dbraw/zinc/58/26/25/987582625.db2.gz CCYUVSGXIQLFGW-SREVYHEPSA-N -1 0 344.436 3.633 20 0 EHADRM CCc1c(C(=O)Nc2cc(C(=O)[O-])ccc2F)cnn1CCC(C)C ZINC001597411758 987702352 /nfs/dbraw/zinc/70/23/52/987702352.db2.gz OPMNRXKBIYEHJM-UHFFFAOYSA-N -1 0 347.390 3.581 20 0 EHADRM CCc1c(NC(=O)C[C@H](C)CC(=O)[O-])cnn1-c1ccc(Cl)cc1 ZINC001597416770 987721727 /nfs/dbraw/zinc/72/17/27/987721727.db2.gz UIHJCRDXQFRRAG-NSHDSACASA-N -1 0 349.818 3.528 20 0 EHADRM CCc1c(NC(=O)Nc2ccc(C(=O)[O-])cn2)cnn1C(CC)CC ZINC001597420237 987732461 /nfs/dbraw/zinc/73/24/61/987732461.db2.gz NZISIGOBVRZTMQ-UHFFFAOYSA-N -1 0 345.403 3.544 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC001589696767 987777384 /nfs/dbraw/zinc/77/73/84/987777384.db2.gz PNXHQZZHJYMVKO-LSDHHAIUSA-N -1 0 331.412 3.745 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)Cc2ccc(C)nc2Cl)s1 ZINC001597440208 987798520 /nfs/dbraw/zinc/79/85/20/987798520.db2.gz BBOJNHLVTZZCIO-UHFFFAOYSA-N -1 0 338.816 3.547 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)Cc2cc(F)c(F)cc2F)s1 ZINC001597441476 987804728 /nfs/dbraw/zinc/80/47/28/987804728.db2.gz YSZNNYZRLIDIRD-UHFFFAOYSA-N -1 0 343.326 3.607 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)OCc1cccc(C)c1 ZINC001597449818 987835672 /nfs/dbraw/zinc/83/56/72/987835672.db2.gz LKUWQOWBXQYMEU-CQSZACIVSA-N -1 0 341.407 3.799 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N(C)[C@@H]1C[C@](C)(OC)C1(C)C ZINC001597451486 987842793 /nfs/dbraw/zinc/84/27/93/987842793.db2.gz CCRUTZUDVVQRNF-BEFAXECRSA-N -1 0 348.443 3.615 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC001589715446 987853638 /nfs/dbraw/zinc/85/36/38/987853638.db2.gz CZLKZXRZEFTPIG-SNVBAGLBSA-N -1 0 337.725 3.588 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NC[C@H](C)c1ccccc1 ZINC001597458808 987882443 /nfs/dbraw/zinc/88/24/43/987882443.db2.gz VGQOLWATDZHRKL-ZDUSSCGKSA-N -1 0 326.396 3.872 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1ccc2c(c1)CCCC2=O ZINC001597464752 987898412 /nfs/dbraw/zinc/89/84/12/987898412.db2.gz PULLAGIEAJENQE-UHFFFAOYSA-N -1 0 337.375 3.719 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cccc(C(F)(F)F)n1 ZINC001597465637 987908043 /nfs/dbraw/zinc/90/80/43/987908043.db2.gz YSRKJZWSYKKDOI-UHFFFAOYSA-N -1 0 338.285 3.613 20 0 EHADRM CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001589728180 987927368 /nfs/dbraw/zinc/92/73/68/987927368.db2.gz FVAWBFDDGYAWAB-IAGOWNOFSA-N -1 0 331.456 3.896 20 0 EHADRM CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)c1cccc(CC(=O)[O-])c1 ZINC001589729303 987942763 /nfs/dbraw/zinc/94/27/63/987942763.db2.gz WSFDYBHFSDHPJY-SJORKVTESA-N -1 0 331.456 3.896 20 0 EHADRM CC(C)(C)[C@H]1CN([C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)CCO1 ZINC001589733900 987975183 /nfs/dbraw/zinc/97/51/83/987975183.db2.gz ASCZJPIHWJINCK-ZIAGYGMSSA-N -1 0 345.361 3.578 20 0 EHADRM CS[C@H]1CCCCN(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)C1 ZINC001599789738 987987421 /nfs/dbraw/zinc/98/74/21/987987421.db2.gz XBJDWCDAZLZHCV-WFASDCNBSA-N -1 0 336.457 3.624 20 0 EHADRM CC(C)(C)[C@H]1Cc2ccccc2N(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001589738338 988003128 /nfs/dbraw/zinc/00/31/28/988003128.db2.gz LTVNDIOLJMTNBZ-XHSDSOJGSA-N -1 0 329.440 3.739 20 0 EHADRM CCc1cc2c([nH]c(-c3ccc(CC(=O)[O-])c(C)c3)nc2=O)s1 ZINC001597488986 988004458 /nfs/dbraw/zinc/00/44/58/988004458.db2.gz RZCYIUXTJKXMOA-UHFFFAOYSA-N -1 0 328.393 3.562 20 0 EHADRM CCc1ccc(-c2noc(CNC3(C(=O)[O-])CCCCCC3)n2)cc1 ZINC001597492082 988024852 /nfs/dbraw/zinc/02/48/52/988024852.db2.gz PGCXCQOEEPNXOQ-UHFFFAOYSA-N -1 0 343.427 3.566 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)c1cc(C2CC2)nc2ccccc21)C(=O)[O-] ZINC001589750770 988046070 /nfs/dbraw/zinc/04/60/70/988046070.db2.gz BVPCVXKKZNFKQH-QGZVFWFLSA-N -1 0 340.423 3.731 20 0 EHADRM CCc1ccc(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])cc1CC ZINC001597500807 988059305 /nfs/dbraw/zinc/05/93/05/988059305.db2.gz WSVNLVAQQHHBAN-SFHVURJKSA-N -1 0 331.456 3.965 20 0 EHADRM CCc1ccc([C@H](NC(=O)N2CCC(CC(=O)[O-])CC2)C(C)C)cc1 ZINC001597514415 988121136 /nfs/dbraw/zinc/12/11/36/988121136.db2.gz OBQIIHNWEZXCDF-LJQANCHMSA-N -1 0 346.471 3.842 20 0 EHADRM CC(C)(C)CCN(CCc1ccccc1)c1cc(C(=O)[O-])ncn1 ZINC001589774496 988133778 /nfs/dbraw/zinc/13/37/78/988133778.db2.gz QUAJYYZRXQUJMK-UHFFFAOYSA-N -1 0 327.428 3.660 20 0 EHADRM CSCCCCNC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001599798979 988144196 /nfs/dbraw/zinc/14/41/96/988144196.db2.gz HHIISZNOHKMNJZ-UHFFFAOYSA-N -1 0 338.454 3.864 20 0 EHADRM CSCc1cccc(CNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001599803186 988211253 /nfs/dbraw/zinc/21/12/53/988211253.db2.gz PDXYXMIVCSWHEP-UHFFFAOYSA-N -1 0 348.399 3.709 20 0 EHADRM CCc1ccc(NC(=O)[C@H]2C[C@]2(F)c2ccccc2)c(C(=O)[O-])c1 ZINC001597542491 988230742 /nfs/dbraw/zinc/23/07/42/988230742.db2.gz DGJDQOMWEAHLTR-BEFAXECRSA-N -1 0 327.355 3.771 20 0 EHADRM CCc1ccc(NC(=O)N(C)Cc2ccc(F)cc2F)c(C(=O)[O-])c1 ZINC001597544608 988242274 /nfs/dbraw/zinc/24/22/74/988242274.db2.gz GLIHSKMZBAGTQJ-UHFFFAOYSA-N -1 0 348.349 3.889 20 0 EHADRM CCc1ccc(NC(=O)CNc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC001597544670 988243482 /nfs/dbraw/zinc/24/34/82/988243482.db2.gz JJJOGWQSXVXGFI-UHFFFAOYSA-N -1 0 332.787 3.651 20 0 EHADRM CCc1ccc(NC(=O)Cc2cn(C)c3ccccc23)c(C(=O)[O-])c1 ZINC001597544656 988244126 /nfs/dbraw/zinc/24/41/26/988244126.db2.gz INHAHNDCEVTROS-UHFFFAOYSA-N -1 0 336.391 3.620 20 0 EHADRM CCc1ccc(NC(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1C ZINC001597546763 988253295 /nfs/dbraw/zinc/25/32/95/988253295.db2.gz KUJYSLUHLUZHTD-QGZVFWFLSA-N -1 0 344.386 3.686 20 0 EHADRM CSc1cc(C(=O)N2CCCc3c(C)ccc(C(=O)[O-])c32)co1 ZINC001599807842 988284683 /nfs/dbraw/zinc/28/46/83/988284683.db2.gz PLPZNEYMZHWVHU-UHFFFAOYSA-N -1 0 331.393 3.601 20 0 EHADRM CSc1cc(F)ccc1NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001599809221 988305487 /nfs/dbraw/zinc/30/54/87/988305487.db2.gz XJZBMGVOCQCDIH-NSHDSACASA-N -1 0 340.420 3.656 20 0 EHADRM CSc1cc2c(cc1NCc1ccc(C(=O)[O-])c(C)c1)OCCO2 ZINC001599809950 988316406 /nfs/dbraw/zinc/31/64/06/988316406.db2.gz VYYQLTBKVVBELP-UHFFFAOYSA-N -1 0 345.420 3.798 20 0 EHADRM CSc1ccc(C)c(C(=O)N2c3cccc(C)c3C[C@H]2C(=O)[O-])c1 ZINC001599811215 988337405 /nfs/dbraw/zinc/33/74/05/988337405.db2.gz AGXBRIAJJAMSLL-KRWDZBQOSA-N -1 0 341.432 3.681 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)Cc1ccc2cnccc2c1 ZINC001597572183 988352508 /nfs/dbraw/zinc/35/25/08/988352508.db2.gz IQKBOAOHJNFWAO-UHFFFAOYSA-N -1 0 334.375 3.677 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)C[C@H](C)c1c(C)noc1C ZINC001597571893 988353125 /nfs/dbraw/zinc/35/31/25/988353125.db2.gz IHAOATHTICDCPT-JTQLQIEISA-N -1 0 330.384 3.684 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)CCc1cccc(F)c1F ZINC001597573414 988356477 /nfs/dbraw/zinc/35/64/77/988356477.db2.gz RIFFXZFWCZMFDI-UHFFFAOYSA-N -1 0 333.334 3.797 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)Cc1ccc(F)c(Cl)c1 ZINC001597573718 988357788 /nfs/dbraw/zinc/35/77/88/988357788.db2.gz VHUHYWBHRPEDBB-UHFFFAOYSA-N -1 0 335.762 3.921 20 0 EHADRM CCc1cccc(CC)c1-n1ccnc1SCC1(C(=O)[O-])CC1 ZINC001597585812 988399941 /nfs/dbraw/zinc/39/99/41/988399941.db2.gz XCSFDIUZTSIATE-UHFFFAOYSA-N -1 0 330.453 3.954 20 0 EHADRM CSc1ccc(NC(=O)CCCCCCC(C)=O)cc1C(=O)[O-] ZINC001599815397 988413597 /nfs/dbraw/zinc/41/35/97/988413597.db2.gz JLAZYPPYQDNUNQ-UHFFFAOYSA-N -1 0 337.441 3.975 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1ccnn1C1CCCC1 ZINC001597590733 988414452 /nfs/dbraw/zinc/41/44/52/988414452.db2.gz FFBXDUAIBNQRQP-UHFFFAOYSA-N -1 0 327.384 3.511 20 0 EHADRM CSc1ccc(NC(=O)[C@H]2CCC(=O)[C@H](C)C2(C)C)cc1C(=O)[O-] ZINC001599816078 988426821 /nfs/dbraw/zinc/42/68/21/988426821.db2.gz PMHWCPXNPHFNLD-GXFFZTMASA-N -1 0 349.452 3.687 20 0 EHADRM CCc1cccc(OC)c1COC(=O)CCc1ccccc1C(=O)[O-] ZINC001597597890 988447718 /nfs/dbraw/zinc/44/77/18/988447718.db2.gz KJQIYGBVCVINBY-UHFFFAOYSA-N -1 0 342.391 3.632 20 0 EHADRM CCc1cccc2cc(CN[C@H](C(=O)[O-])c3cccc(OC)c3)oc21 ZINC001597603674 988470641 /nfs/dbraw/zinc/47/06/41/988470641.db2.gz NXWFATJJPGUAQO-SFHVURJKSA-N -1 0 339.391 3.919 20 0 EHADRM CSc1ccc(NC(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)cc1 ZINC001599819021 988479186 /nfs/dbraw/zinc/47/91/86/988479186.db2.gz HGDBFFAGXHXDDI-HNNXBMFYSA-N -1 0 344.436 3.616 20 0 EHADRM CCc1ccccc1NC(=O)[C@H](C)SCc1cccc(C(=O)[O-])n1 ZINC001597611934 988512833 /nfs/dbraw/zinc/51/28/33/988512833.db2.gz UAWDUOMEWUMOEH-LBPRGKRZSA-N -1 0 344.436 3.603 20 0 EHADRM CSc1ccc(NC(=O)c2nsc3ccccc32)cc1C(=O)[O-] ZINC001599821107 988515422 /nfs/dbraw/zinc/51/54/22/988515422.db2.gz ZYOCYRMNTOTVMF-UHFFFAOYSA-N -1 0 344.417 3.969 20 0 EHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)N(CC(C)C)C(C)(C)C(=O)[O-] ZINC001597621278 988546932 /nfs/dbraw/zinc/54/69/32/988546932.db2.gz IGSIGXSYTJFIPY-DLBZAZTESA-N -1 0 331.456 3.700 20 0 EHADRM CSc1cccc(F)c1C(=O)Oc1cc(C(=O)[O-])cc(F)c1C ZINC001599823629 988557792 /nfs/dbraw/zinc/55/77/92/988557792.db2.gz FKZFDVULZDIOJX-UHFFFAOYSA-N -1 0 338.331 3.913 20 0 EHADRM CSc1ccccc1CC(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001599824247 988568546 /nfs/dbraw/zinc/56/85/46/988568546.db2.gz SXOMZNHOTKQOHB-UHFFFAOYSA-N -1 0 337.347 3.566 20 0 EHADRM CSc1ccccc1NC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001599825142 988585564 /nfs/dbraw/zinc/58/55/64/988585564.db2.gz JNXCDMMFDWPZNI-UGSOOPFHSA-N -1 0 327.405 3.606 20 0 EHADRM Cc1cc([C@H]2CCCN2C(=O)c2ccc3[n-]c(=S)oc3c2)on1 ZINC000072962386 1015401654 /nfs/dbraw/zinc/40/16/54/1015401654.db2.gz ARFJWUHTFNQHEC-GFCCVEGCSA-N -1 0 329.381 3.764 20 0 EHADRM CCc1cnc(CNc2cc(C(=O)[O-])c(Br)cc2C)o1 ZINC001597630871 988593343 /nfs/dbraw/zinc/59/33/43/988593343.db2.gz HHCNFSUORPZRJT-UHFFFAOYSA-N -1 0 339.189 3.618 20 0 EHADRM CSc1ccsc1C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC001599826659 988608499 /nfs/dbraw/zinc/60/84/99/988608499.db2.gz SCDFRQUOEUGFEF-LLVKDONJSA-N -1 0 333.434 3.689 20 0 EHADRM CSc1ccsc1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O ZINC001599826722 988609634 /nfs/dbraw/zinc/60/96/34/988609634.db2.gz VIXVKRPWHHHVND-UHFFFAOYSA-N -1 0 343.813 3.780 20 0 EHADRM CSc1nc(C(C)C)nc(C)c1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001599827159 988614708 /nfs/dbraw/zinc/61/47/08/988614708.db2.gz GFGRFBVLXADXIQ-UHFFFAOYSA-N -1 0 345.424 3.581 20 0 EHADRM CSc1nc(NC[C@@H](CC2CCCC2)C(=O)[O-])cc(C(F)F)n1 ZINC001599828453 988633560 /nfs/dbraw/zinc/63/35/60/988633560.db2.gz RDSLPGMJBJGEBH-SNVBAGLBSA-N -1 0 345.415 3.829 20 0 EHADRM CCc1nc(C(C)C)ccc1C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC001597652542 988698821 /nfs/dbraw/zinc/69/88/21/988698821.db2.gz OLCBMBVOLTXEOS-UHFFFAOYSA-N -1 0 345.370 3.753 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)/C(=C/c1cccc(Cl)c1)c1cccs1 ZINC001599833416 988707242 /nfs/dbraw/zinc/70/72/42/988707242.db2.gz IAPGTORNPSOSSL-IWQAVIMZSA-N -1 0 349.839 3.922 20 0 EHADRM C[C@@H](CC(=O)[O-])OC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl ZINC001599833963 988715187 /nfs/dbraw/zinc/71/51/87/988715187.db2.gz WVTOPPVYWVNQEC-NCJLJLRUSA-N -1 0 336.693 3.778 20 0 EHADRM CCc1nc(NC(=O)[C@H]2CCC[C@H]2c2ccccc2)sc1C(=O)[O-] ZINC001597676620 988792429 /nfs/dbraw/zinc/79/24/29/988792429.db2.gz YGFMPTBQKRXWSN-STQMWFEESA-N -1 0 344.436 3.926 20 0 EHADRM CCc1nc(NC(=O)c2c(F)cccc2SC)sc1C(=O)[O-] ZINC001597681711 988815790 /nfs/dbraw/zinc/81/57/90/988815790.db2.gz IDPPJQYCJSHPFH-UHFFFAOYSA-N -1 0 340.401 3.517 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])[nH]1)c1ccc(Cl)c(Cl)c1 ZINC001599840576 988819816 /nfs/dbraw/zinc/81/98/16/988819816.db2.gz QDTDBFDSFYYLTN-SSDOTTSWSA-N -1 0 327.167 3.511 20 0 EHADRM CC(C)(C)OC(=O)N1CC[C@@H](CSc2ccc(C(=O)[O-])cc2)C1 ZINC001589979788 988848976 /nfs/dbraw/zinc/84/89/76/988848976.db2.gz YOINXOIKOHKGRN-GFCCVEGCSA-N -1 0 337.441 3.734 20 0 EHADRM CC(C)N(C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O)C1CC1 ZINC000179538684 1015433709 /nfs/dbraw/zinc/43/37/09/1015433709.db2.gz HIWNLQVWIFTMDQ-UHFFFAOYSA-N -1 0 334.416 3.752 20 0 EHADRM C[C@@H]1CN(C(=O)C2(c3cccc(Cl)c3)CCCCC2)C[C@H]1C(=O)[O-] ZINC001599852601 989036759 /nfs/dbraw/zinc/03/67/59/989036759.db2.gz LRDNGERLHLDXHU-CZUORRHYSA-N -1 0 349.858 3.721 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccccc2OC2CCCC2)C[C@H]1CC(=O)[O-] ZINC001599860215 989155412 /nfs/dbraw/zinc/15/54/12/989155412.db2.gz BHCPTQFFKJVMPO-ZIAGYGMSSA-N -1 0 346.427 3.583 20 0 EHADRM CCc1nocc1C(=O)O[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001597755125 989166855 /nfs/dbraw/zinc/16/68/55/989166855.db2.gz VPDKXMMMRSSTBY-LBPRGKRZSA-N -1 0 344.150 3.527 20 0 EHADRM CCc1nocc1CSCCOc1ccc(/C=C/C(=O)[O-])cc1 ZINC001597756984 989177264 /nfs/dbraw/zinc/17/72/64/989177264.db2.gz TUVSRQYXRCAXMI-VMPITWQZSA-N -1 0 333.409 3.647 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN1CCN(C2CC2)c2ccc(F)cc21 ZINC001597766341 989212102 /nfs/dbraw/zinc/21/21/02/989212102.db2.gz NCSZQMIXQOEGSH-UHFFFAOYSA-N -1 0 344.386 3.668 20 0 EHADRM CCc1oc(CNc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1C(=O)OC ZINC001597804465 989406392 /nfs/dbraw/zinc/40/63/92/989406392.db2.gz CIGALWKDSBWCFD-GFCCVEGCSA-N -1 0 345.395 3.504 20 0 EHADRM CCc1oc(CNc2ccc(-n3ccc(C)n3)cc2)cc1C(=O)[O-] ZINC001597804519 989406442 /nfs/dbraw/zinc/40/64/42/989406442.db2.gz GJSPFTYZODMXTF-UHFFFAOYSA-N -1 0 325.368 3.646 20 0 EHADRM C[C@@H]1c2ccccc2CN1C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001599883548 989518690 /nfs/dbraw/zinc/51/86/90/989518690.db2.gz SBJFTHHYAAGJJY-LLVKDONJSA-N -1 0 335.363 3.975 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN1Cc1csc(-c2ccc(Cl)cc2)n1 ZINC001599884645 989534135 /nfs/dbraw/zinc/53/41/35/989534135.db2.gz ZDAGCICIYJNLSJ-INIZCTEOSA-N -1 0 336.844 3.903 20 0 EHADRM CCn1c2ccc(Cl)cc2nc1NCc1cc(C(=O)[O-])c(C)n1C ZINC001597859773 989631652 /nfs/dbraw/zinc/63/16/52/989631652.db2.gz DVQMEHXFZJRKFE-UHFFFAOYSA-N -1 0 346.818 3.667 20 0 EHADRM CCn1ccc(C(=O)N[C@H](C(=O)[O-])c2cccc3ccccc32)c1C ZINC001597901996 989775316 /nfs/dbraw/zinc/77/53/16/989775316.db2.gz DKLBJYQRMRVZRK-SFHVURJKSA-N -1 0 336.391 3.525 20 0 EHADRM CC(C)(C)[C@H](NC(=O)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F)C(=O)[O-] ZINC001590435561 989998229 /nfs/dbraw/zinc/99/82/29/989998229.db2.gz QGZJSXJFMOFFKU-ZKYQVNSYSA-N -1 0 341.810 3.588 20 0 EHADRM COc1cccc(C[C@@H](C)NC(=O)c2ccc3[n-]c(=S)oc3c2)c1 ZINC000073615730 1015526609 /nfs/dbraw/zinc/52/66/09/1015526609.db2.gz AJFIYGPYZHCCTI-LLVKDONJSA-N -1 0 342.420 3.860 20 0 EHADRM CC(C)(C)c1cc(NCc2ccc(OCCCC(=O)[O-])cc2)ncn1 ZINC001590462545 990034977 /nfs/dbraw/zinc/03/49/77/990034977.db2.gz XCMVOSKJSOGNMA-UHFFFAOYSA-N -1 0 343.427 3.630 20 0 EHADRM CC(C)(C)c1cc(N(CC(=O)[O-])Cc2ccc(Cl)cc2)ncn1 ZINC001590463124 990036840 /nfs/dbraw/zinc/03/68/40/990036840.db2.gz GAVYWUVUGRZJRO-UHFFFAOYSA-N -1 0 333.819 3.519 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])nc1 ZINC001590475782 990051071 /nfs/dbraw/zinc/05/10/71/990051071.db2.gz WAGMIJISODJUSG-MRXNPFEDSA-N -1 0 332.444 3.533 20 0 EHADRM CC(C)(C)c1ccc(Cc2nc(-c3cc(C(=O)[O-])co3)no2)cc1 ZINC001590488018 990090331 /nfs/dbraw/zinc/09/03/31/990090331.db2.gz ZWLJPDDKPBUCLK-UHFFFAOYSA-N -1 0 326.352 3.916 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)cc1 ZINC001590494190 990099675 /nfs/dbraw/zinc/09/96/75/990099675.db2.gz RJOHIHXVZFUWTG-LIRRHRJNSA-N -1 0 330.428 3.703 20 0 EHADRM CC(C)(C)c1cccc(OS(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC001590499332 990111971 /nfs/dbraw/zinc/11/19/71/990111971.db2.gz SGEIJGZZJJFKIV-UHFFFAOYSA-N -1 0 340.422 3.512 20 0 EHADRM CC(C)(C)c1cccc(OCCCN2CC(F)(F)C[C@H]2C(=O)[O-])c1 ZINC001590499527 990113284 /nfs/dbraw/zinc/11/32/84/990113284.db2.gz YDQDPTPGQYMWNO-HNNXBMFYSA-N -1 0 341.398 3.547 20 0 EHADRM CC(C)(C)c1ccc(SCC(=O)N[C@@](C)(CC(=O)[O-])C2CC2)cc1 ZINC001590500668 990114665 /nfs/dbraw/zinc/11/46/65/990114665.db2.gz IJVGVLXALOVVHK-IBGZPJMESA-N -1 0 349.496 3.836 20 0 EHADRM CC(C)(C)c1cnc(NC(=O)NC2(CC(=O)[O-])CCCCC2)s1 ZINC001590515812 990130758 /nfs/dbraw/zinc/13/07/58/990130758.db2.gz JHKUWKDXMOADMO-UHFFFAOYSA-N -1 0 339.461 3.740 20 0 EHADRM CC(C)(C)c1cnc(NC(=O)N[C@@H](CC(=O)[O-])C2CCCC2)s1 ZINC001590515869 990132084 /nfs/dbraw/zinc/13/20/84/990132084.db2.gz LXOVAIKEUACKMH-NSHDSACASA-N -1 0 339.461 3.596 20 0 EHADRM CC(C)(C)c1nc(C(=O)O[C@H]2CCCc3cc(C(=O)[O-])ccc32)co1 ZINC001590537572 990156480 /nfs/dbraw/zinc/15/64/80/990156480.db2.gz NKTNGZGJUNULSW-HNNXBMFYSA-N -1 0 343.379 3.905 20 0 EHADRM CN(C(=O)C[C@@H](c1ccc(O)cc1)C1CC1)C1(C(=O)[O-])CCCCC1 ZINC001598007933 990168782 /nfs/dbraw/zinc/16/87/82/990168782.db2.gz NMAOIOZUVDQPKE-QGZVFWFLSA-N -1 0 345.439 3.522 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)NC3CC(CC(=O)[O-])C3)ccc2o1 ZINC001590545244 990179540 /nfs/dbraw/zinc/17/95/40/990179540.db2.gz AEBAPRTZDGUENU-UHFFFAOYSA-N -1 0 345.399 3.500 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)N[C@@H](CC(=O)[O-])C3CC3)ccc2o1 ZINC001590545514 990182811 /nfs/dbraw/zinc/18/28/11/990182811.db2.gz HMMXZECUPCWVFW-LBPRGKRZSA-N -1 0 345.399 3.500 20 0 EHADRM CN(C(=O)CCC1CC1)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598013504 990193926 /nfs/dbraw/zinc/19/39/26/990193926.db2.gz YMZGFJGPGVZYGE-CQSZACIVSA-N -1 0 330.211 3.768 20 0 EHADRM CC(C)(C)c1nccc(NCCc2cc3ccc(C(=O)[O-])cc3o2)n1 ZINC001590573469 990212587 /nfs/dbraw/zinc/21/25/87/990212587.db2.gz WRSXCRITEPDHKY-UHFFFAOYSA-N -1 0 339.395 3.873 20 0 EHADRM CN(C(=O)Nc1ccc(F)c(C(=O)[O-])c1F)[C@@H]1CCc2ccccc21 ZINC001598059838 990326742 /nfs/dbraw/zinc/32/67/42/990326742.db2.gz DKUYQVCDJBKRQO-CQSZACIVSA-N -1 0 346.333 3.814 20 0 EHADRM CC(C)(CC(F)(F)F)NC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001590648811 990334698 /nfs/dbraw/zinc/33/46/98/990334698.db2.gz IKWVQECTUKZVJX-UHFFFAOYSA-N -1 0 343.305 3.719 20 0 EHADRM CC(C)(CCCc1ccccc1)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001590664651 990362622 /nfs/dbraw/zinc/36/26/22/990362622.db2.gz FSNYQLCXHJJKLW-XDNAFOTISA-N -1 0 343.467 3.651 20 0 EHADRM CC(C)(CCNC(=O)N[C@@H]1CCCC[C@H]1c1ccccc1)C(=O)[O-] ZINC001590679982 990392907 /nfs/dbraw/zinc/39/29/07/990392907.db2.gz NNNLKNQCFFQMBH-JKSUJKDBSA-N -1 0 332.444 3.513 20 0 EHADRM CN(C(=O)c1cccc(C2CCCC2)c1)c1nc(CC(=O)[O-])cs1 ZINC001598089793 990433014 /nfs/dbraw/zinc/43/30/14/990433014.db2.gz ZRSCSDBNMYQWHW-UHFFFAOYSA-N -1 0 344.436 3.704 20 0 EHADRM CN(C(=O)c1ccn(C)c1-c1ccccc1)[C@H](C(=O)[O-])c1ccccc1 ZINC001598093335 990439529 /nfs/dbraw/zinc/43/95/29/990439529.db2.gz AGOUNEOSCGAAQX-IBGZPJMESA-N -1 0 348.402 3.590 20 0 EHADRM CC(C)(CNC(=O)[C@H](OCC1CCCC1)c1ccccc1)CC(=O)[O-] ZINC001590706202 990449254 /nfs/dbraw/zinc/44/92/54/990449254.db2.gz IFIYADHDLRAQED-GOSISDBHSA-N -1 0 347.455 3.552 20 0 EHADRM CC(C)(CNC(=O)N1CCC[C@H]1c1ccc(Cl)cc1)CC(=O)[O-] ZINC001590717914 990487552 /nfs/dbraw/zinc/48/75/52/990487552.db2.gz ZWRXHJCMIBMEOI-AWEZNQCLSA-N -1 0 338.835 3.687 20 0 EHADRM CC(C)(C)[C@@H]1CCc2sc(C(=O)NCC(C)(C)C(=O)[O-])cc2C1 ZINC001590749043 990546927 /nfs/dbraw/zinc/54/69/27/990546927.db2.gz CDMAEBRAUPVKRW-GFCCVEGCSA-N -1 0 337.485 3.740 20 0 EHADRM CC(C)(CNC(=O)c1ccc(C(=O)[O-])cn1)c1ccc2ccccc2c1 ZINC001590749085 990547066 /nfs/dbraw/zinc/54/70/66/990547066.db2.gz DXEAMFQAZJNPKM-UHFFFAOYSA-N -1 0 348.402 3.641 20 0 EHADRM CC(C)(CNC(=O)c1ccc(-c2cccc(F)c2)s1)CC(=O)[O-] ZINC001590749314 990547609 /nfs/dbraw/zinc/54/76/09/990547609.db2.gz JYWGHQMPYOLSAE-UHFFFAOYSA-N -1 0 335.400 3.785 20 0 EHADRM CC(C)(CNc1cnc(C(=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC001590779887 990589834 /nfs/dbraw/zinc/58/98/34/990589834.db2.gz FKYCCNGYDGTWOW-UHFFFAOYSA-N -1 0 339.317 3.583 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC001590821939 990660776 /nfs/dbraw/zinc/66/07/76/990660776.db2.gz KTCRKTBBUGHQRH-QGZVFWFLSA-N -1 0 331.456 3.653 20 0 EHADRM CC(C)(NC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1F ZINC001590844843 990717489 /nfs/dbraw/zinc/71/74/89/990717489.db2.gz OYPSVULJJPGZDH-UHFFFAOYSA-N -1 0 347.361 3.647 20 0 EHADRM CC(C)(NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F)c1cccs1 ZINC001590855885 990742922 /nfs/dbraw/zinc/74/29/22/990742922.db2.gz OYRWJQOLZKUIHP-UHFFFAOYSA-N -1 0 340.351 3.781 20 0 EHADRM CC(C)(c1noc([C@H]2CCC[C@@H](C(=O)[O-])C2)n1)c1cccc(F)c1 ZINC001590908516 990875861 /nfs/dbraw/zinc/87/58/61/990875861.db2.gz FVAOSRNUCMNEMI-NWDGAFQWSA-N -1 0 332.375 3.893 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)N[C@@H](CC(=O)[O-])c2cccc(C)c2)C1(C)C ZINC001590915221 990901911 /nfs/dbraw/zinc/90/19/11/990901911.db2.gz QPZXHYKGIKZKCW-RYRKJORJSA-N -1 0 329.440 3.865 20 0 EHADRM CC(C)CON=C([O-])Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000274891219 1015590113 /nfs/dbraw/zinc/59/01/13/1015590113.db2.gz JTCCCLCBJNWUDL-UHFFFAOYSA-N -1 0 344.799 3.707 20 0 EHADRM CC(C)C(=O)c1ccc(NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC001590949078 991005194 /nfs/dbraw/zinc/00/51/94/991005194.db2.gz JVZYQMHRPGCYIY-CQSZACIVSA-N -1 0 346.427 3.634 20 0 EHADRM COc1cccc2c1CC[C@H](Nc1ccc(C[C@@H](C)C(=O)[O-])cc1)C2 ZINC001599689718 991047678 /nfs/dbraw/zinc/04/76/78/991047678.db2.gz LTHQYYLZAZHWBY-KDOFPFPSSA-N -1 0 339.435 3.928 20 0 EHADRM COc1cccc2c1CC[C@H]2OC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001599690785 991066249 /nfs/dbraw/zinc/06/62/49/991066249.db2.gz SUVKYNWQNDOSMV-QGZVFWFLSA-N -1 0 326.348 3.546 20 0 EHADRM COc1cccc2c1CN(C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)C2 ZINC001599691955 991083614 /nfs/dbraw/zinc/08/36/14/991083614.db2.gz LCIAYEWKLVXAIQ-UHFFFAOYSA-N -1 0 346.770 3.595 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)C(=O)OCc1ccc(C(=O)[O-])o1 ZINC001590967807 991086200 /nfs/dbraw/zinc/08/62/00/991086200.db2.gz IOYLDXOLZVLMII-LJQANCHMSA-N -1 0 330.380 3.926 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)C(=O)Nc1ncc(C(=O)[O-])s1 ZINC001590968668 991092210 /nfs/dbraw/zinc/09/22/10/991092210.db2.gz UEFWOZAKVJPLTJ-QGZVFWFLSA-N -1 0 332.425 3.685 20 0 EHADRM CC(C)[C@@H](C)C(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001590969479 991095673 /nfs/dbraw/zinc/09/56/73/991095673.db2.gz AZTPSZRFZBYAPZ-SSDOTTSWSA-N -1 0 332.169 3.517 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)OCc1ccccc1CC(=O)[O-] ZINC001599697339 991167508 /nfs/dbraw/zinc/16/75/08/991167508.db2.gz CXMGEPHJGVNMSW-AWEZNQCLSA-N -1 0 342.391 3.559 20 0 EHADRM COc1ccccc1[C@H](CC(C)C)NCc1ncc(C(=O)[O-])s1 ZINC001599697414 991168435 /nfs/dbraw/zinc/16/84/35/991168435.db2.gz FQGOPPHKPWACCO-ZDUSSCGKSA-N -1 0 334.441 3.727 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001599697371 991168749 /nfs/dbraw/zinc/16/87/49/991168749.db2.gz DNIAJSOKRZVZLO-XOBRGWDASA-N -1 0 347.455 3.729 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)Nc1sc(C)cc1C(=O)[O-] ZINC001599699199 991193721 /nfs/dbraw/zinc/19/37/21/991193721.db2.gz WJYZKRIKSBKACR-CSKARUKUSA-N -1 0 331.393 3.805 20 0 EHADRM COc1ccccc1[C@@H](Nc1ccc(C(=O)[O-])c(C)n1)c1ccccn1 ZINC001599700652 991213825 /nfs/dbraw/zinc/21/38/25/991213825.db2.gz XYRTZGIOFRYHDH-LJQANCHMSA-N -1 0 349.390 3.693 20 0 EHADRM CN(C)c1ccc(CCC(=O)Oc2ccc(Cl)cc2C(=O)[O-])cc1 ZINC001598317725 991307327 /nfs/dbraw/zinc/30/73/27/991307327.db2.gz NANMMLMRFNVLKX-UHFFFAOYSA-N -1 0 347.798 3.642 20 0 EHADRM CN(C)c1ccc(OC(=O)c2ccc(C3CCC3)cc2)cc1C(=O)[O-] ZINC001598328624 991352784 /nfs/dbraw/zinc/35/27/84/991352784.db2.gz VUIQSEQTBWVMBF-UHFFFAOYSA-N -1 0 339.391 3.938 20 0 EHADRM CC(C)[C@@H](OC(=O)/C=C/c1ccc2ccc(Cl)cc2n1)C(=O)[O-] ZINC001591041539 991392183 /nfs/dbraw/zinc/39/21/83/991392183.db2.gz DNVXDPXGXJYJIH-KXPUMZMLSA-N -1 0 333.771 3.554 20 0 EHADRM CC(C)[C@@H](SCc1ccccc1)C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001591051617 991451268 /nfs/dbraw/zinc/45/12/68/991451268.db2.gz FCJMDWRLYANMHY-APWZRJJASA-N -1 0 349.496 3.658 20 0 EHADRM CC(C)C1(C)CCN(C(=O)NCCCCCCCC(=O)[O-])CC1 ZINC001591062046 991505978 /nfs/dbraw/zinc/50/59/78/991505978.db2.gz SDEBBGKGSHJKCC-UHFFFAOYSA-N -1 0 326.481 3.879 20 0 EHADRM CC(C)[C@@H]1CCC[C@](NC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)(C(F)(F)F)CC1 ZINC001591089292 991631344 /nfs/dbraw/zinc/63/13/44/991631344.db2.gz UORSYSATMPPOSC-NFFDBFGFSA-N -1 0 349.393 3.751 20 0 EHADRM COc1cncc(/C=C/CCNc2ccc(CCC(=O)[O-])cc2)c1 ZINC001599726844 991641825 /nfs/dbraw/zinc/64/18/25/991641825.db2.gz VUIDDAOOTKPFDK-DUXPYHPUSA-N -1 0 326.396 3.623 20 0 EHADRM CC(C)[C@H]1CCc2ccccc2N1C(=O)Cc1cccc(C(=O)[O-])c1 ZINC001591094026 991666747 /nfs/dbraw/zinc/66/67/47/991666747.db2.gz FGEFLLYRXVLOPE-GOSISDBHSA-N -1 0 337.419 3.931 20 0 EHADRM CC(C)[C@H]1N(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CC12CCC2 ZINC001591098791 991705504 /nfs/dbraw/zinc/70/55/04/991705504.db2.gz IVOZTTKDJUIWAX-CQSZACIVSA-N -1 0 338.354 3.705 20 0 EHADRM CC(C)[C@H]1N(C(=O)NCC(C)(C)CC(=O)[O-])CC12CCCCCC2 ZINC001591100038 991718261 /nfs/dbraw/zinc/71/82/61/991718261.db2.gz UEMFIMXVFMTORQ-MRXNPFEDSA-N -1 0 338.492 3.878 20 0 EHADRM CC(C)[C@H]1c2ccccc2CCN1C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001591104572 991729268 /nfs/dbraw/zinc/72/92/68/991729268.db2.gz HSHROEPMXBSEKU-UCFODXPJSA-N -1 0 339.391 3.773 20 0 EHADRM CC(C)C[C@H](C(=O)N[C@@](C)(CCF)C(=O)[O-])c1ccc(Cl)cc1 ZINC001591117687 991777049 /nfs/dbraw/zinc/77/70/49/991777049.db2.gz DZBUYGAFCONHIX-YOEHRIQHSA-N -1 0 343.826 3.789 20 0 EHADRM CC(C)C[C@H](C)C(=O)N[C@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001591129835 991819576 /nfs/dbraw/zinc/81/95/76/991819576.db2.gz CSPCQZSXDPWXEF-QILLFSRXSA-N -1 0 331.456 3.748 20 0 EHADRM CC(C)C[C@@H](C)OC(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC001591137783 991848212 /nfs/dbraw/zinc/84/82/12/991848212.db2.gz LAHUYHGNYXZZLS-GFCCVEGCSA-N -1 0 343.370 3.813 20 0 EHADRM COc1nsc(CN(C)[C@@H](C)c2cc3ccccc3o2)c1C(=O)[O-] ZINC001599741449 991863460 /nfs/dbraw/zinc/86/34/60/991863460.db2.gz WZKYELASWOXYQH-JTQLQIEISA-N -1 0 346.408 3.789 20 0 EHADRM CC(C)CC(CC(C)C)C(=O)Nc1c2cccnc2n(C)c1C(=O)[O-] ZINC001591142494 991865372 /nfs/dbraw/zinc/86/53/72/991865372.db2.gz DXBVJVNPGWTENN-UHFFFAOYSA-N -1 0 345.443 3.918 20 0 EHADRM CC(C)C[C@@H](CNC(=O)C1(Cc2cccc(Cl)c2)CC1)C(=O)[O-] ZINC001591146657 991882809 /nfs/dbraw/zinc/88/28/09/991882809.db2.gz IFMUIVCGAQMSJS-AWEZNQCLSA-N -1 0 337.847 3.526 20 0 EHADRM CC(C)C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])nc1)c1ccccc1 ZINC001591177182 991970832 /nfs/dbraw/zinc/97/08/32/991970832.db2.gz CQCHVFMPYAJRFI-MRXNPFEDSA-N -1 0 327.384 3.689 20 0 EHADRM CC(C)C[C@@H](Sc1nnc(-c2cccc(Cl)c2)n1C)C(=O)[O-] ZINC001591191044 991998946 /nfs/dbraw/zinc/99/89/46/991998946.db2.gz LRSHTUCMZUNMBF-GFCCVEGCSA-N -1 0 339.848 3.727 20 0 EHADRM CC(C)C[C@@H]1CCCCCN1C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001591205529 992030063 /nfs/dbraw/zinc/03/00/63/992030063.db2.gz JLFPEASSIJUFBX-ZDUSSCGKSA-N -1 0 338.473 3.947 20 0 EHADRM CC(C)C[C@H]1CCN(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)C1 ZINC001591207719 992044720 /nfs/dbraw/zinc/04/47/20/992044720.db2.gz XRFYCROWJVZQGH-CYBMUJFWSA-N -1 0 341.411 3.833 20 0 EHADRM CC(C)CCOc1ccc(-c2nnc(-c3cc(C(=O)[O-])on3)o2)cc1 ZINC001591259446 992161710 /nfs/dbraw/zinc/16/17/10/992161710.db2.gz IXJZRYIWPXSYGU-UHFFFAOYSA-N -1 0 343.339 3.515 20 0 EHADRM CC(C)CCOc1ccc(NCc2ccc(C(=O)[O-])n2C)cc1F ZINC001591261246 992172868 /nfs/dbraw/zinc/17/28/68/992172868.db2.gz XXTRBDVHXCUMKA-UHFFFAOYSA-N -1 0 334.391 3.899 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)c1 ZINC001591266049 992176324 /nfs/dbraw/zinc/17/63/24/992176324.db2.gz MLHYQBMQNVBDLI-LIRRHRJNSA-N -1 0 348.443 3.686 20 0 EHADRM CC(C)CN(C)C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC001591287138 992228502 /nfs/dbraw/zinc/22/85/02/992228502.db2.gz IQLURAIPXYKVGV-KRWDZBQOSA-N -1 0 328.412 3.653 20 0 EHADRM Cc1c(NC(=O)c2c([O-])cc(F)cc2F)cnn1-c1ccccc1F ZINC000120100675 1015696457 /nfs/dbraw/zinc/69/64/57/1015696457.db2.gz RIUHEKNUXQGRLW-UHFFFAOYSA-N -1 0 347.296 3.556 20 0 EHADRM CC(C)C[N@H+](Cc1ccc(C(=O)[O-])o1)[C@H]1CCCc2cccnc21 ZINC001591342751 992321939 /nfs/dbraw/zinc/32/19/39/992321939.db2.gz INZREHDKZVGRBQ-INIZCTEOSA-N -1 0 328.412 3.908 20 0 EHADRM CC(C)CN(Cc1cccc(Cl)c1)C(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001591343830 992326417 /nfs/dbraw/zinc/32/64/17/992326417.db2.gz GJNNYNKHSHWVRW-UHFFFAOYSA-N -1 0 334.803 3.665 20 0 EHADRM CS[C@H](C(=O)N1CCCc2c(C(=O)[O-])cccc21)c1ccccc1 ZINC001599781426 992369476 /nfs/dbraw/zinc/36/94/76/992369476.db2.gz QTGPDVSQNODOMI-KRWDZBQOSA-N -1 0 341.432 3.768 20 0 EHADRM CN(CCOc1ccc(/C=C/C(=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC001598498983 992404323 /nfs/dbraw/zinc/40/43/23/992404323.db2.gz ZOGKDLMBCPBWAD-RUDMXATFSA-N -1 0 333.334 3.578 20 0 EHADRM CC(C)CNc1nnc(S[C@@H](C(=O)[O-])c2ccc(F)cc2)s1 ZINC001591379737 992422191 /nfs/dbraw/zinc/42/21/91/992422191.db2.gz IULPUOUDXAEQCU-LLVKDONJSA-N -1 0 341.433 3.663 20 0 EHADRM CC(C)CO[C@H]1CCN([C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1 ZINC001591391245 992450960 /nfs/dbraw/zinc/45/09/60/992450960.db2.gz ICMRAVKQJVJLOQ-LSDHHAIUSA-N -1 0 345.361 3.578 20 0 EHADRM CC(C)COc1ccccc1NC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001591409691 992485255 /nfs/dbraw/zinc/48/52/55/992485255.db2.gz KAJXZPCYSKVGNY-OAHLLOKOSA-N -1 0 348.443 3.830 20 0 EHADRM CC(C)COc1ccccc1CNC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001591410483 992488162 /nfs/dbraw/zinc/48/81/62/992488162.db2.gz ZUCVXKOISNKHSZ-UHFFFAOYSA-N -1 0 347.455 3.763 20 0 EHADRM CN(Cc1cc(Cl)cn1C)Cc1c(Cl)cccc1C(=O)[O-] ZINC001598505536 992498753 /nfs/dbraw/zinc/49/87/53/992498753.db2.gz LNOMVVBFMNXDNH-UHFFFAOYSA-N -1 0 327.211 3.662 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC001591422944 992505427 /nfs/dbraw/zinc/50/54/27/992505427.db2.gz RHTIUQNQYPVTFN-RISCZKNCSA-N -1 0 345.361 3.767 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cscc1C(F)F ZINC001598513296 992588032 /nfs/dbraw/zinc/58/80/32/992588032.db2.gz SLKQQYKYXQJVPP-UHFFFAOYSA-N -1 0 325.336 3.656 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)N[C@@H](C(=O)[O-])c2cccs2)cc1 ZINC001591484137 992608172 /nfs/dbraw/zinc/60/81/72/992608172.db2.gz SAKUZWRBPUBOGV-GOSISDBHSA-N -1 0 345.464 3.821 20 0 EHADRM CC(C)Cc1ccc(CC(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])cc1 ZINC001591484275 992610173 /nfs/dbraw/zinc/61/01/73/992610173.db2.gz MAQSUVDGMWOICS-XLIONFOSSA-N -1 0 331.456 3.577 20 0 EHADRM CC(C)Cc1ccc(CCCC(=O)N[C@H](CC(=O)[O-])C2CC2)cc1 ZINC001591484520 992611008 /nfs/dbraw/zinc/61/10/08/992611008.db2.gz ZLLQQIZQFNQOLZ-GOSISDBHSA-N -1 0 331.456 3.577 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)N2C3CCC2(C(=O)[O-])CC3)c1 ZINC001591488642 992616828 /nfs/dbraw/zinc/61/68/28/992616828.db2.gz HWEKVUSDRAPZKZ-FNMUINPESA-N -1 0 329.440 3.597 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])c1 ZINC001591489353 992619709 /nfs/dbraw/zinc/61/97/09/992619709.db2.gz QMDMZBTVOARJAP-PBHICJAKSA-N -1 0 333.472 3.994 20 0 EHADRM CC(C)N(C(=O)c1cccc(CC(=O)[O-])c1)[C@H](C)c1ccsc1 ZINC001591542069 992721658 /nfs/dbraw/zinc/72/16/58/992721658.db2.gz CRDGVPZGJKAOBB-CYBMUJFWSA-N -1 0 331.437 3.987 20 0 EHADRM CC(C)N(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC001591543692 992728273 /nfs/dbraw/zinc/72/82/73/992728273.db2.gz ONAHKWHXSXMPMK-NWDGAFQWSA-N -1 0 343.345 3.948 20 0 EHADRM CN(Cc1cccc(OC(C)(C)C)n1)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598527477 992737632 /nfs/dbraw/zinc/73/76/32/992737632.db2.gz YXOVVDNQLUJTGU-QGZVFWFLSA-N -1 0 328.412 3.517 20 0 EHADRM CC(C)N(CCc1ccccc1)C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001591595381 992819639 /nfs/dbraw/zinc/81/96/39/992819639.db2.gz NTMHPRFPYGKIFO-UHFFFAOYSA-N -1 0 329.371 3.617 20 0 EHADRM CC(C)N(Cc1cccc(F)c1)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001591600654 992832690 /nfs/dbraw/zinc/83/26/90/992832690.db2.gz RWRPBBGOTUWDPW-UHFFFAOYSA-N -1 0 329.371 3.504 20 0 EHADRM COc1ccc(NC(=O)NC2CCC(C(=O)[O-])CC2)c2ccccc12 ZINC001599595494 993743662 /nfs/dbraw/zinc/74/36/62/993743662.db2.gz LYQVHAGOJIWMSP-UHFFFAOYSA-N -1 0 342.395 3.613 20 0 EHADRM C[C@H](NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)c1ccc(Cl)c2ccccc21 ZINC001593108287 993762832 /nfs/dbraw/zinc/76/28/32/993762832.db2.gz HRFMCKUROQMLPM-SRVKXCTJSA-N -1 0 346.814 3.717 20 0 EHADRM COc1ccc(N[C@H](Cc2ccc(F)cc2)C(=O)[O-])cc1OC(C)C ZINC001599599155 993790783 /nfs/dbraw/zinc/79/07/83/993790783.db2.gz IIXULJYTHRIBMA-MRXNPFEDSA-N -1 0 347.386 3.729 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1cccc(F)c1F ZINC001593117048 993812768 /nfs/dbraw/zinc/81/27/68/993812768.db2.gz JLODOXXLPOTJSY-NSHDSACASA-N -1 0 348.349 3.865 20 0 EHADRM C[C@@H](NC(=O)c1ccc(Cl)c(F)c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593162791 993998717 /nfs/dbraw/zinc/99/87/17/993998717.db2.gz MGSSCRORSAIZTK-RISCZKNCSA-N -1 0 349.789 3.541 20 0 EHADRM C[C@H](NC(=O)c1ccc2c(c1)CCC=C2)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593171835 994035340 /nfs/dbraw/zinc/03/53/40/994035340.db2.gz HZLREVLDVPGZCZ-MGPUTAFESA-N -1 0 349.430 3.708 20 0 EHADRM C[C@@H](NC(=O)c1cccc(-c2ccoc2)c1)c1ncc(C(=O)[O-])s1 ZINC001593173915 994041047 /nfs/dbraw/zinc/04/10/47/994041047.db2.gz YVVLNEKNRNNCGB-SNVBAGLBSA-N -1 0 342.376 3.592 20 0 EHADRM COc1ccc(S[C@@H](C)C(=O)Nc2ccsc2C(=O)[O-])cc1 ZINC001599618217 994045568 /nfs/dbraw/zinc/04/55/68/994045568.db2.gz GZBMTBNLXUPWDE-VIFPVBQESA-N -1 0 337.422 3.574 20 0 EHADRM COc1ccc([C@H](C)NC(=O)Nc2cc(C(=O)[O-])sc2C)cc1C ZINC001599620604 994075197 /nfs/dbraw/zinc/07/51/97/994075197.db2.gz HIPRWYRDXKABQT-JTQLQIEISA-N -1 0 348.424 3.954 20 0 EHADRM C[C@H](NC(=O)c1ccsc1C(=O)[O-])c1ccccc1C(F)(F)F ZINC001593184194 994087163 /nfs/dbraw/zinc/08/71/63/994087163.db2.gz ZXBNWFMYPVJUQY-QMMMGPOBSA-N -1 0 343.326 3.956 20 0 EHADRM C[C@@H](N[C@@H](C)c1nc(-c2cccc(F)c2)no1)c1ccc(C(=O)[O-])o1 ZINC001593203037 994184555 /nfs/dbraw/zinc/18/45/55/994184555.db2.gz CDKMCQRHWZNUDG-ZJUUUORDSA-N -1 0 345.330 3.579 20 0 EHADRM COc1ccc2c(c1)N(C(=O)Nc1ccc(C(=O)[O-])s1)CCCC2 ZINC001599629543 994196978 /nfs/dbraw/zinc/19/69/78/994196978.db2.gz DLFVVYIMOPDEMO-UHFFFAOYSA-N -1 0 346.408 3.830 20 0 EHADRM C[C@@H](N[C@H](C)c1cncc(C(=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC001593204915 994209248 /nfs/dbraw/zinc/20/92/48/994209248.db2.gz XLEGPLTVNRIYKZ-GHMZBOCLSA-N -1 0 333.457 3.946 20 0 EHADRM O=C([O-])CCN(C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)C1CC1 ZINC000238046685 1015842965 /nfs/dbraw/zinc/84/29/65/1015842965.db2.gz GBDWGSLHFZNACD-STQMWFEESA-N -1 0 342.222 3.563 20 0 EHADRM COc1ccc2cc(C(=O)Nc3cnc(C)c(C(=O)[O-])c3)sc2c1 ZINC001599635555 994281952 /nfs/dbraw/zinc/28/19/52/994281952.db2.gz SJCJHXVREQRAPK-UHFFFAOYSA-N -1 0 342.376 3.564 20 0 EHADRM COc1ccc2occ(C(=O)Nc3cc(C(=O)[O-])ccc3C)c2c1 ZINC001599637343 994308503 /nfs/dbraw/zinc/30/85/03/994308503.db2.gz IXRGSHLCMGMIQB-UHFFFAOYSA-N -1 0 325.320 3.700 20 0 EHADRM O=C(Nc1ccnn1Cc1ccc(F)cc1)c1cc(O)ccc1Cl ZINC000339895911 1015850919 /nfs/dbraw/zinc/85/09/19/1015850919.db2.gz LNWFOKPVHWQYTN-UHFFFAOYSA-N -1 0 345.761 3.682 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1ccc(F)c(C(F)F)c1 ZINC001599643316 994388912 /nfs/dbraw/zinc/38/89/12/994388912.db2.gz BVBJCYDULFUORU-UHFFFAOYSA-N -1 0 340.253 3.689 20 0 EHADRM N#CC(=C([O-])C1=COCC1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000076833712 1015857844 /nfs/dbraw/zinc/85/78/44/1015857844.db2.gz SQNWSAUCUZMQGM-ZDUSSCGKSA-N -1 0 330.796 3.944 20 0 EHADRM COc1cccc(C(C)(C)C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c1 ZINC001599649102 994468850 /nfs/dbraw/zinc/46/88/50/994468850.db2.gz INHWURABTWBCNA-CYBMUJFWSA-N -1 0 341.407 3.800 20 0 EHADRM O=S(=O)([N-]c1cccc(-c2nccs2)c1)c1ccccc1F ZINC000047417321 1015865177 /nfs/dbraw/zinc/86/51/77/1015865177.db2.gz ZSXBGXHUACLQCZ-UHFFFAOYSA-N -1 0 334.397 3.750 20 0 EHADRM COc1cccc([C@@H](C(=O)[O-])N2CC[C@H]2c2ccc(Cl)cc2)c1 ZINC001599651259 994504636 /nfs/dbraw/zinc/50/46/36/994504636.db2.gz SQBQXXIXQQGHTK-IRXDYDNUSA-N -1 0 331.799 3.921 20 0 EHADRM CC(C)c1cnc(NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])s1 ZINC000339905148 1015872583 /nfs/dbraw/zinc/87/25/83/1015872583.db2.gz DQBFTHRIDDSIMV-UHFFFAOYSA-N -1 0 346.387 3.549 20 0 EHADRM COc1cccc([C@@H](C)C(=O)Nc2ccc(C)c(C)c2C(=O)[O-])c1 ZINC001599654599 994558328 /nfs/dbraw/zinc/55/83/28/994558328.db2.gz UAGYIHDDNFRRGX-CYBMUJFWSA-N -1 0 327.380 3.752 20 0 EHADRM C[C@@H](NCc1ccc(C(=O)[O-])cc1F)c1ccccc1OC(F)F ZINC001593297711 994706365 /nfs/dbraw/zinc/70/63/65/994706365.db2.gz ZUQHNWRFSSWXQV-SNVBAGLBSA-N -1 0 339.313 3.976 20 0 EHADRM COc1cccc(C[C@H](C)CC(=O)Nc2c(C)csc2C(=O)[O-])c1 ZINC001599666390 994736835 /nfs/dbraw/zinc/73/68/35/994736835.db2.gz OJWYIADZYCNRCT-NSHDSACASA-N -1 0 347.436 3.971 20 0 EHADRM C[C@H](NCc1cccc(C(=O)[O-])n1)c1cccc(Cl)c1Cl ZINC001593304315 994745292 /nfs/dbraw/zinc/74/52/92/994745292.db2.gz LMBPYNSLYAEMRX-VIFPVBQESA-N -1 0 325.195 3.937 20 0 EHADRM COc1cccc(C[C@@H](C)Nc2nc(Cl)c(C(=O)[O-])s2)c1 ZINC001599666986 994745526 /nfs/dbraw/zinc/74/55/26/994745526.db2.gz VPAKZSNBOOCONP-MRVPVSSYSA-N -1 0 326.805 3.546 20 0 EHADRM COc1cccc(NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])c1F ZINC001599676711 994908787 /nfs/dbraw/zinc/90/87/87/994908787.db2.gz NQVUORYYTIGTEC-JTQLQIEISA-N -1 0 349.383 3.652 20 0 EHADRM COc1cccc(N[C@@H](C)CC(=O)Nc2cccc(C(=O)[O-])c2)c1C ZINC001599680000 994963579 /nfs/dbraw/zinc/96/35/79/994963579.db2.gz SDSCKQCBHQMLJI-LBPRGKRZSA-N -1 0 342.395 3.531 20 0 EHADRM C[C@H](N[C@@H](C)c1ccc(C(F)(F)F)nc1)c1cc(C(=O)[O-])co1 ZINC001593353103 994972887 /nfs/dbraw/zinc/97/28/87/994972887.db2.gz MWVIGGYSRITEAI-IUCAKERBSA-N -1 0 328.290 3.803 20 0 EHADRM C[C@H](N[C@@H](C)c1ccccc1OCC(=O)[O-])c1ccc(F)cc1F ZINC001593353558 994981798 /nfs/dbraw/zinc/98/17/98/994981798.db2.gz ZZPZWISZAWTUPH-RYUDHWBXSA-N -1 0 335.350 3.840 20 0 EHADRM COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)N(C)C[C@H](C)C1CCCCC1 ZINC001598711275 995351791 /nfs/dbraw/zinc/35/17/91/995351791.db2.gz DHMSLVNDNPBDME-KBXCAEBGSA-N -1 0 347.455 3.747 20 0 EHADRM COC(=O)[C@H](SC[C@@H](C)C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001598713579 995377149 /nfs/dbraw/zinc/37/71/49/995377149.db2.gz WGOGAYCMBKCHCO-RDDDGLTNSA-N -1 0 337.224 3.661 20 0 EHADRM C[C@H](OC(=O)CCc1nc2ccccc2s1)c1ccc(C(=O)[O-])o1 ZINC001593528185 995575749 /nfs/dbraw/zinc/57/57/49/995575749.db2.gz RNARHMPVEPLWQO-JTQLQIEISA-N -1 0 345.376 3.825 20 0 EHADRM C[C@H](OC(=O)c1cc(C(=O)[O-])co1)c1ccc(C(F)(F)F)cc1 ZINC001593556644 995645571 /nfs/dbraw/zinc/64/55/71/995645571.db2.gz SZSOPWVSLSPEQM-QMMMGPOBSA-N -1 0 328.242 3.915 20 0 EHADRM C[C@@H](OC(=O)c1cc(F)c(Cl)cc1F)c1cc(C(=O)[O-])co1 ZINC001593564651 995657720 /nfs/dbraw/zinc/65/77/20/995657720.db2.gz JZEZJSGHTKXPAF-ZCFIWIBFSA-N -1 0 330.670 3.827 20 0 EHADRM C[C@H](OC(=O)c1ccc(F)c(Cl)c1F)c1cc(C(=O)[O-])co1 ZINC001593579122 995692820 /nfs/dbraw/zinc/69/28/20/995692820.db2.gz TWZGOLVZUSXKMZ-LURJTMIESA-N -1 0 330.670 3.827 20 0 EHADRM C[C@@H](OC(=O)c1ccc(OC(F)F)c(F)c1)c1cc(C(=O)[O-])co1 ZINC001593584143 995696655 /nfs/dbraw/zinc/69/66/55/995696655.db2.gz DUPICNTZLGQCAS-SSDOTTSWSA-N -1 0 344.241 3.636 20 0 EHADRM C[C@H](OC(=O)c1ccsc1CC(=O)[O-])c1ncc(C(C)(C)C)o1 ZINC001593597568 995740411 /nfs/dbraw/zinc/74/04/11/995740411.db2.gz LFZBRDBJNFXZRR-VIFPVBQESA-N -1 0 337.397 3.579 20 0 EHADRM C[C@H](OC(=O)c1ccsc1C(F)(F)F)c1cc(C(=O)[O-])co1 ZINC001593597777 995740914 /nfs/dbraw/zinc/74/09/14/995740914.db2.gz OGHYEGQYMOIZBM-LURJTMIESA-N -1 0 334.271 3.976 20 0 EHADRM C[C@@H](OCCc1ccccc1)C(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC001593607628 995788452 /nfs/dbraw/zinc/78/84/52/995788452.db2.gz GCUCBAYOPGHXCD-GFCCVEGCSA-N -1 0 348.782 3.591 20 0 EHADRM C[C@@H](OCc1ccccc1)C(=O)OCc1c(Cl)cccc1C(=O)[O-] ZINC001593611821 995810306 /nfs/dbraw/zinc/81/03/06/995810306.db2.gz VGSQKNDTULWJAN-GFCCVEGCSA-N -1 0 348.782 3.687 20 0 EHADRM C[C@H](Oc1ccc(C(=O)[O-])cc1Br)C(=O)C(C)(C)C ZINC001593612121 995813092 /nfs/dbraw/zinc/81/30/92/995813092.db2.gz KQGBKSYDXWUASB-QMMMGPOBSA-N -1 0 329.190 3.530 20 0 EHADRM C[C@H](Oc1ccc(CNc2cccc3c2OC(C)(C)C3)cc1)C(=O)[O-] ZINC001593619894 995865352 /nfs/dbraw/zinc/86/53/52/995865352.db2.gz SHXWWMGACKIQNI-ZDUSSCGKSA-N -1 0 341.407 3.864 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)c2cc(Cl)cs2)cc1F)C(=O)[O-] ZINC001593632319 995919611 /nfs/dbraw/zinc/91/96/11/995919611.db2.gz UEOPMXMYMMIBEW-ZETCQYMHSA-N -1 0 343.763 3.645 20 0 EHADRM C[C@@H](Oc1ccccc1)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001593640725 995947221 /nfs/dbraw/zinc/94/72/21/995947221.db2.gz NZGRQJKVCMEFSJ-CYBMUJFWSA-N -1 0 335.359 3.944 20 0 EHADRM C[C@H](Oc1ccccc1NCc1ncc(C(=O)[O-])s1)C(F)(F)F ZINC001593651781 996013586 /nfs/dbraw/zinc/01/35/86/996013586.db2.gz QWJHIFNOHKINTL-QMMMGPOBSA-N -1 0 346.330 3.783 20 0 EHADRM C[C@@H](SCc1ccccc1C(=O)[O-])c1cn(-c2ccccc2)nn1 ZINC001593664193 996049600 /nfs/dbraw/zinc/04/96/00/996049600.db2.gz ZIKWEZBPUZMUIH-CYBMUJFWSA-N -1 0 339.420 3.960 20 0 EHADRM C[C@@H](SCc1noc(CCC(=O)[O-])n1)c1cccc(Cl)c1F ZINC001593664334 996050618 /nfs/dbraw/zinc/05/06/18/996050618.db2.gz NFTJAAHQWRCTDE-MRVPVSSYSA-N -1 0 344.795 3.874 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CC(C2CCCC2)C1)C(=O)[O-] ZINC001593667559 996058449 /nfs/dbraw/zinc/05/84/49/996058449.db2.gz GUSPVABSIUWIJE-LBPRGKRZSA-N -1 0 333.453 3.514 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)[C@H](C)Sc1ccccc1Cl)C1CCC1 ZINC001593673213 996083193 /nfs/dbraw/zinc/08/31/93/996083193.db2.gz HWJXIKPVVWQEOW-MNOVXSKESA-N -1 0 341.860 3.675 20 0 EHADRM C[C@H](Sc1nnc(-c2ccccc2)n1C)c1ccc(C(=O)[O-])o1 ZINC001593678573 996093461 /nfs/dbraw/zinc/09/34/61/996093461.db2.gz SCUFNTRHDQOUSC-JTQLQIEISA-N -1 0 329.381 3.627 20 0 EHADRM C[C@@H](Sc1nncn1-c1ccccc1F)c1ccc(C(=O)[O-])o1 ZINC001593685425 996114989 /nfs/dbraw/zinc/11/49/89/996114989.db2.gz VHMQXXADDSTTRV-SECBINFHSA-N -1 0 333.344 3.551 20 0 EHADRM C[C@@H](c1c(F)cccc1F)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001593686897 996125519 /nfs/dbraw/zinc/12/55/19/996125519.db2.gz NOXCTTXLYLKJRW-NSHDSACASA-N -1 0 333.334 3.619 20 0 EHADRM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001593699318 996170188 /nfs/dbraw/zinc/17/01/88/996170188.db2.gz UUMGOSDZNVWICC-SMDDNHRTSA-N -1 0 338.835 3.543 20 0 EHADRM C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001593705708 996192071 /nfs/dbraw/zinc/19/20/71/996192071.db2.gz KJQWSRSHCXZXJX-DZJNRPSUSA-N -1 0 329.440 3.672 20 0 EHADRM C[C@H](c1nc(C(=O)[O-])co1)N1CCC(Cc2ccc(F)cc2)CC1 ZINC001593724165 996263809 /nfs/dbraw/zinc/26/38/09/996263809.db2.gz DGGKHBWDRJPJDM-GFCCVEGCSA-N -1 0 332.375 3.528 20 0 EHADRM C[C@@H](c1nc2ccccc2s1)N(C)Cc1cccc(C(=O)[O-])n1 ZINC001593733513 996317760 /nfs/dbraw/zinc/31/77/60/996317760.db2.gz GXJIJUOXROUXHN-NSHDSACASA-N -1 0 327.409 3.583 20 0 EHADRM C[C@@]1(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CCc2ccccc2C1 ZINC001593760110 996417759 /nfs/dbraw/zinc/41/77/59/996417759.db2.gz PDCOIEVSUPEDDO-HXUWFJFHSA-N -1 0 341.382 3.587 20 0 EHADRM C[C@]1(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)C=CCC1 ZINC001593760165 996418199 /nfs/dbraw/zinc/41/81/99/996418199.db2.gz RZVQWGBSJNANEL-IBGZPJMESA-N -1 0 328.412 3.670 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(c2nnc(-c3ccccc3Cl)s2)C1 ZINC001593783075 996492141 /nfs/dbraw/zinc/49/21/41/996492141.db2.gz JARAABVPKOOLOO-HNNXBMFYSA-N -1 0 337.832 3.550 20 0 EHADRM CC(C)CCS(=O)(=O)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000180758994 1016038598 /nfs/dbraw/zinc/03/85/98/1016038598.db2.gz REBCQHDKTHAHMX-LBPRGKRZSA-N -1 0 345.333 3.534 20 0 EHADRM CC1(C)C[C@@H](O)c2cccc(NCc3ccc(/C=C/C(=O)[O-])o3)c2O1 ZINC001593861912 996657272 /nfs/dbraw/zinc/65/72/72/996657272.db2.gz NDQVFEZAUSUXKG-ROJDOSBLSA-N -1 0 343.379 3.584 20 0 EHADRM CC1(C)C[C@H](O)c2c(OCc3ccccc3C(=O)[O-])cccc2O1 ZINC001593861933 996657320 /nfs/dbraw/zinc/65/73/20/996657320.db2.gz NSYGNYXVPSUAFP-AWEZNQCLSA-N -1 0 328.364 3.558 20 0 EHADRM CC1(C)C[C@@]1(C(=O)N1CCc2cccc(C(=O)[O-])c2C1)c1ccccc1 ZINC001593863070 996661750 /nfs/dbraw/zinc/66/17/50/996661750.db2.gz BQTGAAZQPSTNKH-QFIPXVFZSA-N -1 0 349.430 3.637 20 0 EHADRM CC1(C)C[C@H](c2ccccc2)CN1C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001593863083 996662213 /nfs/dbraw/zinc/66/22/13/996662213.db2.gz CBPBBLXFRRFFIK-GDXASINISA-N -1 0 339.391 3.786 20 0 EHADRM CC1(C)C[C@]1(C(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC001593865738 996671872 /nfs/dbraw/zinc/67/18/72/996671872.db2.gz UNJRRHXCPOGCJW-LJQANCHMSA-N -1 0 327.355 3.830 20 0 EHADRM CC1(C)CC[C@@H](C(=O)N[C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)C1 ZINC001593874682 996691637 /nfs/dbraw/zinc/69/16/37/996691637.db2.gz PDWMVPWIYUMIMW-CHWSQXEVSA-N -1 0 343.345 3.931 20 0 EHADRM CC1(C)CCC(CC(=O)N2CCOc3cc(C(=O)[O-])ccc3C2)CC1 ZINC001593874751 996692240 /nfs/dbraw/zinc/69/22/40/996692240.db2.gz ZXAKQSRCCIQVKX-UHFFFAOYSA-N -1 0 345.439 3.712 20 0 EHADRM CC1(C)CC[C@@H](C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[C@H](c2ccccc2)C1 ZINC001593874859 996692307 /nfs/dbraw/zinc/69/23/07/996692307.db2.gz QGNJOSLBDHGZHO-XDNAFOTISA-N -1 0 343.467 3.966 20 0 EHADRM CC1(C)CC[C@H]1C(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC001593883636 996717640 /nfs/dbraw/zinc/71/76/40/996717640.db2.gz NZQUMVRXMXWZSD-ZDUSSCGKSA-N -1 0 343.345 3.555 20 0 EHADRM CC1(C)CCC[C@@](NC(=O)c2ncc(Cl)cc2Cl)(C(=O)[O-])C1 ZINC001593895266 996748535 /nfs/dbraw/zinc/74/85/35/996748535.db2.gz JMWCKPUEJZUXTE-HNNXBMFYSA-N -1 0 345.226 3.542 20 0 EHADRM CC1(C)CCC[C@@H]1[C@@H]1CCN(C(=O)c2ccsc2CC(=O)[O-])C1 ZINC001593896745 996755046 /nfs/dbraw/zinc/75/50/46/996755046.db2.gz AUIZRUANHSLUFK-TZMCWYRMSA-N -1 0 335.469 3.664 20 0 EHADRM CC1(C)CCC[C@H]1[C@H]1CCN(C(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC001593896955 996756554 /nfs/dbraw/zinc/75/65/54/996756554.db2.gz GLCWRIQNGQZIGJ-IRXDYDNUSA-N -1 0 329.440 3.602 20 0 EHADRM COC(=O)N(C)c1ccc(NCc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC001598875333 996759775 /nfs/dbraw/zinc/75/97/75/996759775.db2.gz ARKJSWVYFLCXER-UHFFFAOYSA-N -1 0 328.368 3.508 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)NCC[C@H]2CCCC2(C)C)C1 ZINC001593903408 996773262 /nfs/dbraw/zinc/77/32/62/996773262.db2.gz SNLHVJGEKURJEM-HUUCEWRRSA-N -1 0 338.492 3.735 20 0 EHADRM CC1(C)CCCC[C@H]1CC(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001593904576 996782689 /nfs/dbraw/zinc/78/26/89/996782689.db2.gz HFXGIYBUNKNCPK-GOEBONIOSA-N -1 0 335.419 3.717 20 0 EHADRM CC1(C)CCCC[C@H]1CC(=O)N(CCc1ccccc1)CC(=O)[O-] ZINC001593905670 996788579 /nfs/dbraw/zinc/78/85/79/996788579.db2.gz WVEYUSNJQWPFQL-KRWDZBQOSA-N -1 0 331.456 3.749 20 0 EHADRM CC1(C)CCCc2sc(NC(=O)c3ccsc3C(=O)[O-])nc21 ZINC001593910626 996796102 /nfs/dbraw/zinc/79/61/02/996796102.db2.gz DTFGOOJEFKRQCG-UHFFFAOYSA-N -1 0 336.438 3.769 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)CC[C@H]1CCc2ccccc21 ZINC001599379081 996802546 /nfs/dbraw/zinc/80/25/46/996802546.db2.gz TWIZLLVPGNUOKS-CQSZACIVSA-N -1 0 340.375 3.809 20 0 EHADRM CC1(C)CCN(C(=O)c2ccccc2CCC(=O)[O-])CC(C)(C)C1 ZINC001593911606 996804432 /nfs/dbraw/zinc/80/44/32/996804432.db2.gz JZZVJZKILSGJPM-UHFFFAOYSA-N -1 0 331.456 3.992 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC[C@H](OC(C)C)c1ccccc1 ZINC001599379528 996809902 /nfs/dbraw/zinc/80/99/02/996809902.db2.gz JOAVWHSZBDCOHI-SFHVURJKSA-N -1 0 330.380 3.939 20 0 EHADRM CC1(C)CCc2onc(-c3nc(-c4cccc(C(=O)[O-])c4)no3)c2C1 ZINC001593916394 996818937 /nfs/dbraw/zinc/81/89/37/996818937.db2.gz PSWZLEZLHJALLM-UHFFFAOYSA-N -1 0 339.351 3.605 20 0 EHADRM COCc1c2ccccc2oc1C(=O)Nc1ccsc1C(=O)[O-] ZINC001599278197 996846915 /nfs/dbraw/zinc/84/69/15/996846915.db2.gz DWJFHHIQYHTOBK-UHFFFAOYSA-N -1 0 331.349 3.591 20 0 EHADRM COCc1c2ccccc2oc1C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001599278323 996848154 /nfs/dbraw/zinc/84/81/54/996848154.db2.gz MLVYXINAELZDBR-UHFFFAOYSA-N -1 0 345.376 3.900 20 0 EHADRM COc1ccc(C(=O)Nc2c(C)sc(C)c2C(=O)[O-])c(Cl)c1 ZINC001599485908 996848884 /nfs/dbraw/zinc/84/88/84/996848884.db2.gz OKMKRBYOJSKVIR-UHFFFAOYSA-N -1 0 339.800 3.977 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)c1 ZINC001599486954 996867284 /nfs/dbraw/zinc/86/72/84/996867284.db2.gz AKPCXMPBHLKQSY-BBRMVZONSA-N -1 0 339.338 3.548 20 0 EHADRM CCc1c(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cnn1CC(C)C ZINC000683312694 1016073118 /nfs/dbraw/zinc/07/31/18/1016073118.db2.gz HCFZBBSEBFNSDV-UHFFFAOYSA-N -1 0 349.818 3.705 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)C[C@H](C)c2ccc(F)cc2)c1F ZINC001599487434 996875958 /nfs/dbraw/zinc/87/59/58/996875958.db2.gz LDVCBOOQJLGRGA-JTQLQIEISA-N -1 0 349.333 3.804 20 0 EHADRM CC1(C)CN(C(=O)Nc2cccc(F)c2C(=O)[O-])[C@@H]1c1ccco1 ZINC001593935636 996912407 /nfs/dbraw/zinc/91/24/07/996912407.db2.gz SGLUFGAVLDHPCF-CQSZACIVSA-N -1 0 332.331 3.732 20 0 EHADRM CC1(C)CN(C(=O)c2cccc(CC(=O)[O-])c2)[C@@H]1c1cccs1 ZINC001593936561 996918612 /nfs/dbraw/zinc/91/86/12/996918612.db2.gz NJUCMXWCNBCCIO-MRXNPFEDSA-N -1 0 329.421 3.599 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2ccc(C)c3c2CCC3)c1F ZINC001599490011 996921089 /nfs/dbraw/zinc/92/10/89/996921089.db2.gz IYZIKYDXWDTVRH-UHFFFAOYSA-N -1 0 343.354 3.582 20 0 EHADRM COc1ccc(C(=O)[O-])c(NCc2nnc(-c3ccccc3)s2)c1 ZINC001599490764 996935151 /nfs/dbraw/zinc/93/51/51/996935151.db2.gz BCECUSPDMZQZBK-UHFFFAOYSA-N -1 0 341.392 3.524 20 0 EHADRM COCc1cc(NC(=O)N2CCC(C)(C(C)C)CC2)cc(C(=O)[O-])c1 ZINC001599284220 996946830 /nfs/dbraw/zinc/94/68/30/996946830.db2.gz AHGMARAQDUAFJG-UHFFFAOYSA-N -1 0 348.443 3.821 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1cccc2c1CCCCC2 ZINC001599387032 996964771 /nfs/dbraw/zinc/96/47/71/996964771.db2.gz WREVAGSDIOYIFF-UHFFFAOYSA-N -1 0 339.391 3.915 20 0 EHADRM COc1cc(C(C)=O)ccc1S[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001599387757 996976061 /nfs/dbraw/zinc/97/60/61/996976061.db2.gz FZNJMVKTARUXBO-INIZCTEOSA-N -1 0 334.368 3.955 20 0 EHADRM CC1(C)CN(c2cc(C(F)(F)F)c(C(=O)[O-])cn2)[C@H]1c1ccco1 ZINC001593948007 997008463 /nfs/dbraw/zinc/00/84/63/997008463.db2.gz ZEFXLLVFMGWVNL-ZDUSSCGKSA-N -1 0 340.301 3.979 20 0 EHADRM COCC1(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CCCCC1 ZINC001599185905 997024338 /nfs/dbraw/zinc/02/43/38/997024338.db2.gz FWYZNKOTJYEACT-UHFFFAOYSA-N -1 0 325.792 3.574 20 0 EHADRM COc1cc(C)c(C)cc1NCc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC001599390593 997027748 /nfs/dbraw/zinc/02/77/48/997027748.db2.gz FZCNJAIQBVAUKK-CQSZACIVSA-N -1 0 329.396 3.776 20 0 EHADRM COCc1ccc(C(=O)Nc2c(Cl)ccc(F)c2C(=O)[O-])cc1 ZINC001599290154 997050492 /nfs/dbraw/zinc/05/04/92/997050492.db2.gz GWOHOJBBWAPYTH-UHFFFAOYSA-N -1 0 337.734 3.576 20 0 EHADRM COc1cc(C)cc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)c1C ZINC001599392100 997057373 /nfs/dbraw/zinc/05/73/73/997057373.db2.gz MHLSKADNLPINLI-UHFFFAOYSA-N -1 0 335.306 3.541 20 0 EHADRM COc1ccc(C(=O)[O-])cc1CSc1nc2ccccc2n1C ZINC001599499889 997097665 /nfs/dbraw/zinc/09/76/65/997097665.db2.gz QVDRKBXJGMJHST-UHFFFAOYSA-N -1 0 328.393 3.572 20 0 EHADRM COc1cc(C=C(C(=O)[O-])c2ccc3cc[nH]c3n2)ccc1SC ZINC001599396958 997144212 /nfs/dbraw/zinc/14/42/12/997144212.db2.gz DUXJQOHCKKLSJQ-LCYFTJDESA-N -1 0 340.404 3.919 20 0 EHADRM COCc1ccccc1NCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001599296095 997144867 /nfs/dbraw/zinc/14/48/67/997144867.db2.gz FCTJNXPDSJRLBL-UHFFFAOYSA-N -1 0 338.363 3.798 20 0 EHADRM Cc1nc([C@H]2CCCN2C(=O)c2cc(=O)c3ccccc3[nH]2)cs1 ZINC000275150216 1016099523 /nfs/dbraw/zinc/09/95/23/1016099523.db2.gz SGVSFJLMAWXWCX-MRXNPFEDSA-N -1 0 339.420 3.683 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1Oc1ncnc2scc(C)c21 ZINC001599400530 997206567 /nfs/dbraw/zinc/20/65/67/997206567.db2.gz OCASPZXYCXMLKN-XQRVVYSFSA-N -1 0 342.376 3.898 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC[C@H]1CC2(CO1)CCCCC2 ZINC001599400728 997210096 /nfs/dbraw/zinc/21/00/96/997210096.db2.gz RNIQOPUYTWAZPK-IQIBNGDESA-N -1 0 346.423 3.911 20 0 EHADRM CC1(C)SC[C@@H]1NC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001593982987 997220486 /nfs/dbraw/zinc/22/04/86/997220486.db2.gz UXRPLJYKNMZMGT-AWEZNQCLSA-N -1 0 330.409 3.554 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Nc2c(F)cccc2C(=O)[O-])cc1 ZINC001599506892 997224986 /nfs/dbraw/zinc/22/49/86/997224986.db2.gz NTAWXGUVXSITNV-LLVKDONJSA-N -1 0 331.343 3.665 20 0 EHADRM COc1ccc([C@@H](C)OC(=O)Cc2cccc(C(=O)[O-])c2)cc1Cl ZINC001599507798 997241109 /nfs/dbraw/zinc/24/11/09/997241109.db2.gz ANVZTRSQNMQVJN-LLVKDONJSA-N -1 0 348.782 3.894 20 0 EHADRM COCc1nc2cc(N[C@H](C(=O)[O-])c3ccccc3C)ccc2o1 ZINC001599302818 997262136 /nfs/dbraw/zinc/26/21/36/997262136.db2.gz MNAGVVINZKYIJS-KRWDZBQOSA-N -1 0 326.352 3.520 20 0 EHADRM COc1ccccc1-c1cc(NC(=O)c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000064055578 1032139431 /nfs/dbraw/zinc/13/94/31/1032139431.db2.gz CRPSCGZMUHBMRV-UHFFFAOYSA-N -1 0 343.770 3.697 20 0 EHADRM CO[C@@H]1C[C@@H]([NH2+][C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1(C)C ZINC001599097537 997311512 /nfs/dbraw/zinc/31/15/12/997311512.db2.gz QXLKGYWADKSVMI-JHJVBQTASA-N -1 0 332.227 3.522 20 0 EHADRM COC1CCC(C(=O)Oc2cc3ccccc3cc2C(=O)[O-])CC1 ZINC001599098575 997329926 /nfs/dbraw/zinc/32/99/26/997329926.db2.gz ALRKETJJSBHOPU-UHFFFAOYSA-N -1 0 328.364 3.649 20 0 EHADRM COC1CCC(CCNC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)CC1 ZINC001599100499 997373660 /nfs/dbraw/zinc/37/36/60/997373660.db2.gz ZMTSPCSMKLPHJH-CBCUQQMYSA-N -1 0 348.443 3.592 20 0 EHADRM CON(C(=O)c1cccc(-c2cccc(C)c2)c1)[C@H](C)CC(=O)[O-] ZINC001599312486 997439694 /nfs/dbraw/zinc/43/96/94/997439694.db2.gz UIJGQLMCJDICPZ-CQSZACIVSA-N -1 0 327.380 3.529 20 0 EHADRM O=C([O-])CN(C(=O)Nc1ccc(Cl)c(Cl)c1)C1CCCC1 ZINC000037590908 1016125440 /nfs/dbraw/zinc/12/54/40/1016125440.db2.gz NGSOEEKXUKYPSF-UHFFFAOYSA-N -1 0 331.199 3.855 20 0 EHADRM COc1cc(COC(=O)c2cc(C(=O)[O-])ccc2Cl)ccc1C ZINC001599417703 997539711 /nfs/dbraw/zinc/53/97/11/997539711.db2.gz NRVCOPQNKRAGSC-UHFFFAOYSA-N -1 0 334.755 3.712 20 0 EHADRM CON(Cc1oncc1C(=O)[O-])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001599318595 997541377 /nfs/dbraw/zinc/54/13/77/997541377.db2.gz NKISJKSFUFUDPA-SECBINFHSA-N -1 0 344.289 3.516 20 0 EHADRM COc1cc(CNc2nc3cccc(F)c3s2)ccc1C(=O)[O-] ZINC001599418050 997545171 /nfs/dbraw/zinc/54/51/71/997545171.db2.gz AKHQXRTYCXFHPI-UHFFFAOYSA-N -1 0 332.356 3.754 20 0 EHADRM CON(Cc1cc(C(=O)[O-])ccc1Cl)[C@@H](C)c1csc(C)n1 ZINC001599319247 997552238 /nfs/dbraw/zinc/55/22/38/997552238.db2.gz SESJSCYHNNNMCH-VIFPVBQESA-N -1 0 340.832 3.928 20 0 EHADRM COc1cc(Cl)ccc1-c1nnc(C23CCC(C(=O)[O-])(CC2)C3)o1 ZINC001599420295 997583150 /nfs/dbraw/zinc/58/31/50/997583150.db2.gz DANKFLIQIXVALV-UHFFFAOYSA-N -1 0 348.786 3.685 20 0 EHADRM CO[C@@H]1CCC[C@H](CC(=O)O[C@H]2CCCc3cc(C(=O)[O-])ccc32)C1 ZINC001599111864 997583657 /nfs/dbraw/zinc/58/36/57/997583657.db2.gz GTNQPPQYNBTDIF-XCRHUMRWSA-N -1 0 346.423 3.901 20 0 EHADRM CO[C@@H]1CCC[C@@H](CC(=O)Nc2cc(C(=O)[O-])ccc2Cl)C1 ZINC001599113163 997606639 /nfs/dbraw/zinc/60/66/39/997606639.db2.gz ROPFLXDKAKSCEO-ZYHUDNBSSA-N -1 0 325.792 3.572 20 0 EHADRM CO[C@@H]1CCC[C@@H](CC(=O)Nc2cc(F)cc(Cl)c2C(=O)[O-])C1 ZINC001599113349 997608734 /nfs/dbraw/zinc/60/87/34/997608734.db2.gz RSUDQHVZCVWWGP-MWLCHTKSSA-N -1 0 343.782 3.711 20 0 EHADRM COc1ccc([C@H](NCc2cc(C(=O)[O-])co2)c2ccccc2)cc1 ZINC001599531620 997664551 /nfs/dbraw/zinc/66/45/51/997664551.db2.gz KEHOSBBBLOHKOL-LJQANCHMSA-N -1 0 337.375 3.866 20 0 EHADRM COCC[C@H]1CCN(Cc2cc(C(=O)[O-])oc2C)c2ccccc21 ZINC001599220873 997665531 /nfs/dbraw/zinc/66/55/31/997665531.db2.gz QRLPUMWFNLCNQO-CQSZACIVSA-N -1 0 329.396 3.817 20 0 EHADRM O=C([O-])CCCCC(=O)N(CCc1ccccc1F)C1CCCC1 ZINC000655550016 1016144724 /nfs/dbraw/zinc/14/47/24/1016144724.db2.gz HVEQTRKQHPOBJL-UHFFFAOYSA-N -1 0 335.419 3.784 20 0 EHADRM CC1(Cc2nc(COc3cccc(C(=O)[O-])c3)no2)CCCCC1 ZINC001594043873 997682216 /nfs/dbraw/zinc/68/22/16/997682216.db2.gz SXXKKECVVIAYIL-UHFFFAOYSA-N -1 0 330.384 3.860 20 0 EHADRM COc1cc(NC(=O)C[C@H]2CCCCC2(C)C)c(C(=O)[O-])cc1OC ZINC001599431099 997760361 /nfs/dbraw/zinc/76/03/61/997760361.db2.gz IJKQFAAWPFRYNV-GFCCVEGCSA-N -1 0 349.427 3.947 20 0 EHADRM COc1c(C)cc(Cl)cc1NC(=O)NCCCCCCC(=O)[O-] ZINC001599331862 997761766 /nfs/dbraw/zinc/76/17/66/997761766.db2.gz VQBVABDUSCWQRJ-UHFFFAOYSA-N -1 0 342.823 3.814 20 0 EHADRM COc1ccc(C2CC2)c(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)c1 ZINC001599537751 997774998 /nfs/dbraw/zinc/77/49/98/997774998.db2.gz UCBBFYQTTHPTNB-TWGQIWQCSA-N -1 0 327.336 3.516 20 0 EHADRM COc1ccc(C2CC2)c(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)c1 ZINC001599537749 997775054 /nfs/dbraw/zinc/77/50/54/997775054.db2.gz UCBBFYQTTHPTNB-RMKNXTFCSA-N -1 0 327.336 3.516 20 0 EHADRM COc1cc(NC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)c(C)cc1C ZINC001599432938 997792123 /nfs/dbraw/zinc/79/21/23/997792123.db2.gz BPGYOBGVEBJPJD-MGPUTAFESA-N -1 0 339.391 3.509 20 0 EHADRM COc1cc(NC(=O)N(CC2CC2)C2CCCCC2)ccc1C(=O)[O-] ZINC001599433948 997809301 /nfs/dbraw/zinc/80/93/01/997809301.db2.gz PMMUUGSNSGJWGJ-UHFFFAOYSA-N -1 0 346.427 3.970 20 0 EHADRM COc1cc(NC(=O)C[C@@H]2C[C@H]2Cc2ccccc2)ccc1C(=O)[O-] ZINC001599435001 997828863 /nfs/dbraw/zinc/82/88/63/997828863.db2.gz NABYPCOFDIWMSO-CABCVRRESA-N -1 0 339.391 3.601 20 0 EHADRM COc1c(NC(=O)CCc2ccc(C)c(Cl)c2)cccc1C(=O)[O-] ZINC001599337004 997854531 /nfs/dbraw/zinc/85/45/31/997854531.db2.gz DABBKYUMOOUHEB-UHFFFAOYSA-N -1 0 347.798 3.927 20 0 EHADRM COc1cc(NC(=O)N2CCc3cc(C)c(C)cc32)ccc1C(=O)[O-] ZINC001599437347 997870580 /nfs/dbraw/zinc/87/05/80/997870580.db2.gz RSCFTLFUYOLWNU-UHFFFAOYSA-N -1 0 340.379 3.605 20 0 EHADRM COc1cc(NC(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])c(C)cc1C ZINC001599437743 997878100 /nfs/dbraw/zinc/87/81/00/997878100.db2.gz KWZADCAKVAHHFM-OAHLLOKOSA-N -1 0 348.443 3.715 20 0 EHADRM COc1ccc(/C=C(\C)C(=O)NC2(C(=O)[O-])CCCCCC2)cc1F ZINC001599543160 997878186 /nfs/dbraw/zinc/87/81/86/997878186.db2.gz YQMMQRKOKJPRKS-ACCUITESSA-N -1 0 349.402 3.531 20 0 EHADRM COc1c(NC(=O)N(C)[C@H](C)c2ccccc2F)cccc1C(=O)[O-] ZINC001599338890 997887098 /nfs/dbraw/zinc/88/70/98/997887098.db2.gz ZIRKSAQZVYJNGO-LLVKDONJSA-N -1 0 346.358 3.757 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)c1ccccc1SC ZINC001599544664 997903410 /nfs/dbraw/zinc/90/34/10/997903410.db2.gz IGBTXZKAIREYNZ-NTMALXAHSA-N -1 0 344.388 3.734 20 0 EHADRM Cc1cc(-c2csc(NC(=O)CCCCC(=O)[O-])n2)ccc1F ZINC000655551348 1016167996 /nfs/dbraw/zinc/16/79/96/1016167996.db2.gz QSDZKJYUKRQVSF-UHFFFAOYSA-N -1 0 336.388 3.841 20 0 EHADRM COc1c(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)cccc1C(=O)[O-] ZINC001599341653 997932500 /nfs/dbraw/zinc/93/25/00/997932500.db2.gz FQBMQJKMUJZGIN-UONOGXRCSA-N -1 0 345.782 3.789 20 0 EHADRM COc1c(NC(=O)NC(C)(C)c2ccccc2F)cccc1C(=O)[O-] ZINC001599342124 997939160 /nfs/dbraw/zinc/93/91/60/997939160.db2.gz XKFXYEJYRHCRNT-UHFFFAOYSA-N -1 0 346.358 3.589 20 0 EHADRM COc1c(NC(=O)c2ccc(C(F)(F)F)cc2)cccc1C(=O)[O-] ZINC001599342821 997950204 /nfs/dbraw/zinc/95/02/04/997950204.db2.gz PXPNWLYIRBEXJA-UHFFFAOYSA-N -1 0 339.269 3.665 20 0 EHADRM COc1cc(N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])ccc1OC(C)C ZINC001599443135 997963273 /nfs/dbraw/zinc/96/32/73/997963273.db2.gz QTNGWRRCCCNHJW-INIZCTEOSA-N -1 0 347.386 3.729 20 0 EHADRM COc1cc(NCc2ccccc2O[C@@H](C)C(=O)[O-])c(C)cc1C ZINC001599443300 997965852 /nfs/dbraw/zinc/96/58/52/997965852.db2.gz FZWBBQRLOVPCAW-AWEZNQCLSA-N -1 0 329.396 3.776 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN1C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001594079580 997969962 /nfs/dbraw/zinc/96/99/62/997969962.db2.gz HPUIIALWSVQQMF-SFHVURJKSA-N -1 0 344.436 3.667 20 0 EHADRM COc1cc(OC(=O)/C=C/c2ccc(Cl)cc2)ccc1C(=O)[O-] ZINC001599445148 997996977 /nfs/dbraw/zinc/99/69/77/997996977.db2.gz CDRYKUYECTVIFW-RUDMXATFSA-N -1 0 332.739 3.666 20 0 EHADRM COc1ccc(C[C@H]2CCCN(c3nc(C(=O)[O-])c(C)s3)C2)cc1 ZINC001599551708 998019051 /nfs/dbraw/zinc/01/90/51/998019051.db2.gz CVSLYBWQJYQIRF-CQSZACIVSA-N -1 0 346.452 3.617 20 0 EHADRM COc1ccc(CCCC(=O)Nc2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001599554003 998058992 /nfs/dbraw/zinc/05/89/92/998058992.db2.gz MFPUBITYNUCOBC-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000683323426 1016180882 /nfs/dbraw/zinc/18/08/82/1016180882.db2.gz CBAWNZGDMBASDM-CQSZACIVSA-N -1 0 343.345 3.651 20 0 EHADRM CO[C@H]1Cc2ccc(N[C@@H](C(=O)[O-])c3c(F)cccc3Cl)cc2C1 ZINC001599137759 998072262 /nfs/dbraw/zinc/07/22/62/998072262.db2.gz CDVSCFBEDRGCCW-SUMWQHHRSA-N -1 0 349.789 3.831 20 0 EHADRM COc1ccc(C[N@H+](C)[C@@H](C(=O)[O-])c2ccccc2F)cc1Cl ZINC001599558863 998148905 /nfs/dbraw/zinc/14/89/05/998148905.db2.gz MRBXYLYWPQSMMT-MRXNPFEDSA-N -1 0 337.778 3.745 20 0 EHADRM CC1=C(C(=O)[O-])C[C@@H](COc2ccc(Br)c(Cl)c2)O1 ZINC001594105579 998161830 /nfs/dbraw/zinc/16/18/30/998161830.db2.gz DHKPITAFRMFTCI-VIFPVBQESA-N -1 0 347.592 3.629 20 0 EHADRM COc1cc(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)c2ccccc2n1 ZINC001599356045 998180044 /nfs/dbraw/zinc/18/00/44/998180044.db2.gz VLTVGTZHIAZFJU-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM CC1=C(C)C[C@](C)(C(=O)N2C[C@@H](C(=O)[O-])Cc3ccccc32)CC1 ZINC001594109146 998191027 /nfs/dbraw/zinc/19/10/27/998191027.db2.gz FRUNCSRSPYPAKJ-OXJNMPFZSA-N -1 0 327.424 3.803 20 0 EHADRM CC1=C(C)C[C@@H](C(=O)Nc2cc3c(cc2C(=O)[O-])OCCCO3)CC1 ZINC001594110757 998215363 /nfs/dbraw/zinc/21/53/63/998215363.db2.gz YNJKZSPDKNBBMU-ZDUSSCGKSA-N -1 0 345.395 3.621 20 0 EHADRM COCCOc1cc(C(=O)[O-])ccc1NC(=O)C[C@H]1CCCC[C@@H]1C ZINC001599253726 998276207 /nfs/dbraw/zinc/27/62/07/998276207.db2.gz OATFESVFXAOUEC-UONOGXRCSA-N -1 0 349.427 3.565 20 0 EHADRM C[C@@H]1C(=O)Nc2cccc(C(=O)[O-])c2N1C(=O)CCCCC(C)(C)C ZINC001594132912 998357917 /nfs/dbraw/zinc/35/79/17/998357917.db2.gz RRZGRPCMWKJGAY-GFCCVEGCSA-N -1 0 346.427 3.665 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)NC[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC001599373690 998452125 /nfs/dbraw/zinc/45/21/25/998452125.db2.gz RYUNUKHJOLGGTJ-DYEKYZERSA-N -1 0 334.416 3.587 20 0 EHADRM COC[C@@H](C)N(C(=O)C[C@H](C)CC(=O)[O-])c1cc(Cl)ccc1C ZINC001599160744 998454047 /nfs/dbraw/zinc/45/40/47/998454047.db2.gz JQSDRFJHXQXJOY-WCQYABFASA-N -1 0 341.835 3.517 20 0 EHADRM COc1ccc(Cn2ccnc2SCC2(C(=O)[O-])CCCC2)cc1 ZINC001599579580 998504354 /nfs/dbraw/zinc/50/43/54/998504354.db2.gz CXLDIUVOBURBMN-UHFFFAOYSA-N -1 0 346.452 3.677 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)C1(C(F)(F)F)CCCCC1 ZINC001599377837 998517217 /nfs/dbraw/zinc/51/72/17/998517217.db2.gz OCTUYXTUCOTXJJ-UHFFFAOYSA-N -1 0 346.301 3.812 20 0 EHADRM C[C@H]1[C@H](Nc2ccccc2OC[C@@H]2CCCCO2)CC[C@H]1CC(=O)[O-] ZINC001594184087 998713115 /nfs/dbraw/zinc/71/31/15/998713115.db2.gz FBRILRILOQNIJB-LTIDMASMSA-N -1 0 347.455 3.936 20 0 EHADRM COC(=O)c1ccccc1CS[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001599001966 998827070 /nfs/dbraw/zinc/82/70/70/998827070.db2.gz ANHOFUGYLISQOU-HNNXBMFYSA-N -1 0 334.368 3.671 20 0 EHADRM COC(=O)c1ccccc1CSCc1ccc(C)c(C(=O)[O-])c1 ZINC001599001987 998827095 /nfs/dbraw/zinc/82/70/95/998827095.db2.gz BKWTXVDRHOWYAZ-UHFFFAOYSA-N -1 0 330.405 3.913 20 0 EHADRM COC(=O)c1ccccc1CSCc1ccc(F)cc1C(=O)[O-] ZINC001599003014 998835007 /nfs/dbraw/zinc/83/50/07/998835007.db2.gz NKKZMFFSNGVOEK-UHFFFAOYSA-N -1 0 334.368 3.744 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N2C[C@H](C)C[C@H](C)[C@@H]2C)cc1)C(=O)[O-] ZINC001594219219 998841469 /nfs/dbraw/zinc/84/14/69/998841469.db2.gz FNCZPLWRPDWSAR-QPSCCSFWSA-N -1 0 332.444 3.848 20 0 EHADRM C[C@H]1C[C@H](CNC(=O)Nc2ccc(CCC(=O)[O-])cc2)C[C@@H](C)C1 ZINC001594223162 998860018 /nfs/dbraw/zinc/86/00/18/998860018.db2.gz OSLBVEJIYINBQX-FOLVSLTJSA-N -1 0 332.444 3.898 20 0 EHADRM C[C@@H]1C[C@@H](CC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])CC(C)(C)C1 ZINC001594232070 998882412 /nfs/dbraw/zinc/88/24/12/998882412.db2.gz FMJJXGNDDNSPSS-KMFMINBZSA-N -1 0 349.446 3.790 20 0 EHADRM COC(=O)c1cnc(SCc2ccccc2C(=O)[O-])c(Cl)c1 ZINC001599009776 998887904 /nfs/dbraw/zinc/88/79/04/998887904.db2.gz WAVZAIDDUBBOFT-UHFFFAOYSA-N -1 0 337.784 3.512 20 0 EHADRM C[C@@H]1C[C@H](CC(=O)N[C@@](C)(CC(=O)[O-])c2cccnc2)CC(C)(C)C1 ZINC001594232789 998888074 /nfs/dbraw/zinc/88/80/74/998888074.db2.gz RNPTZYHPNXFKPJ-SXGZJXTBSA-N -1 0 346.471 3.740 20 0 EHADRM C[C@H]1C[C@H](CCNC(=O)c2cccc(CC(=O)[O-])c2)CC(C)(C)C1 ZINC001594236807 998902494 /nfs/dbraw/zinc/90/24/94/998902494.db2.gz SKTYFJBUVDIUJE-HOCLYGCPSA-N -1 0 331.456 3.896 20 0 EHADRM CO[C@H](C(=O)Nc1ccc(SC)c(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001599026024 999016690 /nfs/dbraw/zinc/01/66/90/999016690.db2.gz BDMVSQYGCPHPJH-HNNXBMFYSA-N -1 0 349.383 3.572 20 0 EHADRM C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)Nc2cc(C(=O)[O-])ccc2F)C1 ZINC001594270142 999043626 /nfs/dbraw/zinc/04/36/26/999043626.db2.gz QUCKWXIDJAWSGR-BZNIZROVSA-N -1 0 343.358 3.534 20 0 EHADRM COC(C)(C)c1nc(C)c(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)s1 ZINC001599036464 999087140 /nfs/dbraw/zinc/08/71/40/999087140.db2.gz XFFNSZPLIMULDK-UHFFFAOYSA-N -1 0 348.424 3.592 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NC[C@H](C(=O)[O-])C2CCCCC2)o1 ZINC001594280456 999089140 /nfs/dbraw/zinc/08/91/40/999089140.db2.gz XWXMZVPPKLSWMH-COXVUDFISA-N -1 0 347.455 3.733 20 0 EHADRM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1 ZINC001594285199 999104574 /nfs/dbraw/zinc/10/45/74/999104574.db2.gz OOPYTVLAJSEOKZ-FXXCCUJSSA-N -1 0 335.488 3.989 20 0 EHADRM C[C@@H]1CC=C(C(=O)NCCc2cc3ccc(C(=O)[O-])cc3o2)CC1 ZINC001594291117 999121721 /nfs/dbraw/zinc/12/17/21/999121721.db2.gz PRLBJGZLGTZOEN-GFCCVEGCSA-N -1 0 327.380 3.536 20 0 EHADRM C[C@@H]1CC=C(C(=O)N[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)CC1 ZINC001594292427 999128148 /nfs/dbraw/zinc/12/81/48/999128148.db2.gz KXSQRHVZHYZFTD-YGRLFVJLSA-N -1 0 341.329 3.694 20 0 EHADRM C[C@@H]1CC[C@H](CCC(=O)O[C@H]2CCCc3cc(C(=O)[O-])ccc32)O1 ZINC001594305045 999177060 /nfs/dbraw/zinc/17/70/60/999177060.db2.gz GBIWKQLKJNFSCS-VMGRFDJRSA-N -1 0 332.396 3.653 20 0 EHADRM C[C@H]1CC[C@@H](CNC(=O)Nc2cccc(SCCC(=O)[O-])c2)C1 ZINC001594309114 999193410 /nfs/dbraw/zinc/19/34/10/999193410.db2.gz SJTKEVPWILIZDJ-QWHCGFSZSA-N -1 0 336.457 3.811 20 0 EHADRM CO[C@@H](CNc1ccc(N2CCCCC2)c(C(=O)[O-])c1)CC(C)C ZINC001599054909 999222716 /nfs/dbraw/zinc/22/27/16/999222716.db2.gz DJTACYWVJPATGH-MRXNPFEDSA-N -1 0 334.460 3.848 20 0 EHADRM CO[C@H](c1ccccc1F)[C@H](C)Nc1nc(Cl)c(C(=O)[O-])s1 ZINC001599063052 999279497 /nfs/dbraw/zinc/27/94/97/999279497.db2.gz GRRRFXFFCYDWGC-XVKPBYJWSA-N -1 0 344.795 3.822 20 0 EHADRM C[C@@H]1CCC[C@@H](CC(=O)Nc2cccnc2SCCC(=O)[O-])C1 ZINC001594345563 999308081 /nfs/dbraw/zinc/30/80/81/999308081.db2.gz WBXJLGBXVNCFMI-CHWSQXEVSA-N -1 0 336.457 3.803 20 0 EHADRM C[C@@H]1CCC[C@H](OCCCCCC(=O)N[C@H]2CCC[C@@H]2C(=O)[O-])C1 ZINC001594354218 999337933 /nfs/dbraw/zinc/33/79/33/999337933.db2.gz AODPSOWMBNMGPX-QZWWFDLISA-N -1 0 339.476 3.512 20 0 EHADRM C[C@H]1CCC[C@H](OCCCCCC(=O)NC2(CC(=O)[O-])CCC2)C1 ZINC001594354407 999338356 /nfs/dbraw/zinc/33/83/56/999338356.db2.gz CFYZFYNLLRFDGU-HOTGVXAUSA-N -1 0 339.476 3.656 20 0 EHADRM CC(C)Oc1ccc(NC(=O)CO[C@@H]2CCC[C@@H](C)C2)c(C(=O)[O-])c1 ZINC001594355425 999341361 /nfs/dbraw/zinc/34/13/61/999341361.db2.gz KEDJWBGQQQHWJZ-ZIAGYGMSSA-N -1 0 349.427 3.706 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)Nc1cccc(CO[C@H]2CCC[C@H](C)C2)c1 ZINC001594356107 999343974 /nfs/dbraw/zinc/34/39/74/999343974.db2.gz QXEHBBXEOXOEJS-ZQIUZPCESA-N -1 0 348.443 3.767 20 0 EHADRM C[C@@H]1CCC[C@H](OCCCCCC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001594356550 999347315 /nfs/dbraw/zinc/34/73/15/999347315.db2.gz XDHNMHPICKJNLX-NCOADZHNSA-N -1 0 339.476 3.512 20 0 EHADRM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-] ZINC001594370148 999394531 /nfs/dbraw/zinc/39/45/31/999394531.db2.gz DIQZJLICHLLIEC-RNCFNFMXSA-N -1 0 343.782 3.711 20 0 EHADRM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001594370524 999396641 /nfs/dbraw/zinc/39/66/41/999396641.db2.gz JNLXLSKWQCVPOJ-NOZJJQNGSA-N -1 0 343.782 3.711 20 0 EHADRM C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001594389133 999473891 /nfs/dbraw/zinc/47/38/91/999473891.db2.gz RTVBTNWYGZUVAB-XIKOKIGWSA-N -1 0 341.382 3.967 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cccc(CSCC(=O)[O-])c2)C[C@H]1C ZINC001594405312 999516891 /nfs/dbraw/zinc/51/68/91/999516891.db2.gz KLYLTGWZLIPBEU-CHWSQXEVSA-N -1 0 336.457 3.514 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc(Cl)cc3ccccc32)[C@H](C(=O)[O-])C1 ZINC001594406807 999524051 /nfs/dbraw/zinc/52/40/51/999524051.db2.gz FZGCSZVMYYFURV-BZNIZROVSA-N -1 0 331.799 3.819 20 0 EHADRM C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1Nc1cccc(C(=O)[O-])c1 ZINC001594407325 999527400 /nfs/dbraw/zinc/52/74/00/999527400.db2.gz SEAORXUHFGGVNY-XJKSGUPXSA-N -1 0 348.443 3.832 20 0 EHADRM CC1CCN(c2ccc(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)cc2)CC1 ZINC001594434544 999613623 /nfs/dbraw/zinc/61/36/23/999613623.db2.gz UUALZTICSRSGAY-QGZVFWFLSA-N -1 0 346.471 3.542 20 0 EHADRM COc1ccc2[nH]c(NC(=O)c3cc(F)c(F)c([O-])c3F)cc2c1 ZINC000683358064 1016334233 /nfs/dbraw/zinc/33/42/33/1016334233.db2.gz HUVRNZKSCQKKGG-UHFFFAOYSA-N -1 0 336.269 3.552 20 0 EHADRM C[C@H]1CCc2c(sc3ncnc(NCC(C)(C)CC(=O)[O-])c32)C1 ZINC001594445851 999638656 /nfs/dbraw/zinc/63/86/56/999638656.db2.gz RBPXZCJQPCQMEV-JTQLQIEISA-N -1 0 333.457 3.729 20 0 EHADRM C[C@H]1CCc2sc(C(=O)Oc3ccc(CC(=O)[O-])cc3F)cc2C1 ZINC001594451558 999650570 /nfs/dbraw/zinc/65/05/70/999650570.db2.gz BLSOZJAECKYUPC-JTQLQIEISA-N -1 0 348.395 3.858 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000655571905 1016354598 /nfs/dbraw/zinc/35/45/98/1016354598.db2.gz OLDADWJULUMNRG-MRXNPFEDSA-N -1 0 339.391 3.981 20 0 EHADRM C[C@H](NC(=O)CCC(C)(C)c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655576067 1016386391 /nfs/dbraw/zinc/38/63/91/1016386391.db2.gz OQDMAMFKGHTQMT-BHYGNILZSA-N -1 0 345.483 3.996 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655576598 1016393782 /nfs/dbraw/zinc/39/37/82/1016393782.db2.gz ROZJVIGWJWGUMY-JQVOGXOBSA-N -1 0 335.488 3.845 20 0 EHADRM C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655579003 1016432110 /nfs/dbraw/zinc/43/21/10/1016432110.db2.gz YWLXLLXADCQGSX-WCDYYPSBSA-N -1 0 349.858 3.695 20 0 EHADRM O=C([O-])/C=C\c1cnc(/C=C/c2cc(Cl)cc3c2OCC3)s1 ZINC000782890143 1016552650 /nfs/dbraw/zinc/55/26/50/1016552650.db2.gz SWUIVVQCGFFIRB-TZFCGSKZSA-N -1 0 333.796 4.000 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)n1 ZINC000430384636 1016584869 /nfs/dbraw/zinc/58/48/69/1016584869.db2.gz LHSYZGSYSJXFPA-UHFFFAOYSA-N -1 0 328.434 3.652 20 0 EHADRM CCc1ccc([C@H](C)NC(=O)N=c2[n-]nc(-c3ccco3)s2)cc1 ZINC000510240194 1016605179 /nfs/dbraw/zinc/60/51/79/1016605179.db2.gz JWFGXQFHLKEXHD-NSHDSACASA-N -1 0 342.424 3.665 20 0 EHADRM O=C([O-])CCCCCNC(=O)NCc1ccc(-c2cccs2)cc1 ZINC000659405337 1016658648 /nfs/dbraw/zinc/65/86/48/1016658648.db2.gz AQCHWQJDQUGQLV-UHFFFAOYSA-N -1 0 346.452 3.859 20 0 EHADRM CCCc1cnc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)s1 ZINC000430395987 1016674529 /nfs/dbraw/zinc/67/45/29/1016674529.db2.gz SJFLCVNHYXDUEN-UHFFFAOYSA-N -1 0 328.434 3.652 20 0 EHADRM CSc1ccc(F)cc1CNC(=O)c1cc(F)c(F)c([O-])c1F ZINC000349179742 1016676356 /nfs/dbraw/zinc/67/63/56/1016676356.db2.gz CIVFTZALKTYBRS-UHFFFAOYSA-N -1 0 345.317 3.601 20 0 EHADRM CCCS(=O)(=O)[N-]c1nc(-c2ccc(OCC)cc2)c(C)s1 ZINC000340244542 1016773764 /nfs/dbraw/zinc/77/37/64/1016773764.db2.gz JXKNLVHNEKZWBI-UHFFFAOYSA-N -1 0 340.470 3.669 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1cncn1-c1ccc(F)cc1 ZINC000340324770 1016945090 /nfs/dbraw/zinc/94/50/90/1016945090.db2.gz OCYZJCSVMGICOM-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM COc1ccc(C(C)(C)NC(=O)c2ccc([O-])c(Cl)c2)cc1F ZINC001167278542 1016956977 /nfs/dbraw/zinc/95/69/77/1016956977.db2.gz UDVZABBWUBVLTF-UHFFFAOYSA-N -1 0 337.778 3.858 20 0 EHADRM COc1ccc2oc(C(=O)N3CCCC[C@@H]3CCC(=O)[O-])c(C)c2c1 ZINC000237307188 1016967694 /nfs/dbraw/zinc/96/76/94/1016967694.db2.gz LNRCZNIZBLZBFH-CYBMUJFWSA-N -1 0 345.395 3.609 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N[C@H](c2cccnc2)C2CC2)s1 ZINC000340344219 1016985744 /nfs/dbraw/zinc/98/57/44/1016985744.db2.gz YXFDNQYGMGFTNA-AWEZNQCLSA-N -1 0 345.472 3.531 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1ncc(-c2ccc(Cl)cc2)o1)C1CCC1 ZINC000659795515 1017031712 /nfs/dbraw/zinc/03/17/12/1017031712.db2.gz YRFXIEQZOWDXHH-LLVKDONJSA-N -1 0 334.803 3.823 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)C[C@@]1(C(=O)[O-])CCSC1 ZINC000064611475 1032153178 /nfs/dbraw/zinc/15/31/78/1032153178.db2.gz YLPOVWGBZPHYFN-AWEZNQCLSA-N -1 0 345.873 3.598 20 0 EHADRM CC(C)Oc1ccccc1CNC(=O)c1cc(F)c(F)c([O-])c1F ZINC000183452817 1032170344 /nfs/dbraw/zinc/17/03/44/1032170344.db2.gz SFQYYGYKNASJPE-UHFFFAOYSA-N -1 0 339.313 3.527 20 0 EHADRM Cc1ccc(-c2nc(COc3ccc(-c4n[n-]c(=N)o4)cc3)co2)cc1 ZINC000461042065 1032223239 /nfs/dbraw/zinc/22/32/39/1032223239.db2.gz JDVLTSIZQKUJJV-UHFFFAOYSA-N -1 0 348.362 3.692 20 0 EHADRM Cc1ccc(C(C)(C)CC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000449143688 1032248150 /nfs/dbraw/zinc/24/81/50/1032248150.db2.gz XLGURRFPMZYVML-INIZCTEOSA-N -1 0 331.456 3.766 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccc[nH]2)cc1)c1cc(F)cc(F)c1 ZINC000538259032 1032255702 /nfs/dbraw/zinc/25/57/02/1032255702.db2.gz UWIHFSWHTNGUDQ-UHFFFAOYSA-N -1 0 334.347 3.761 20 0 EHADRM CCCN(C(=O)NCCCCCC(=O)[O-])[C@H]1CCc2ccccc21 ZINC000414628330 1017079966 /nfs/dbraw/zinc/07/99/66/1017079966.db2.gz ORMUTQJFFSMWAO-KRWDZBQOSA-N -1 0 332.444 3.741 20 0 EHADRM O=S(=O)([N-]c1ncccc1Cl)c1ccc(C(F)(F)F)s1 ZINC000461114952 1032276272 /nfs/dbraw/zinc/27/62/72/1032276272.db2.gz VDGXWPDIFRCNAW-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccc(C)cc2Cl)cc1C ZINC000538296854 1032278106 /nfs/dbraw/zinc/27/81/06/1032278106.db2.gz PTBIYWSKYIUZBV-NSHDSACASA-N -1 0 341.864 3.925 20 0 EHADRM COc1ccc(-c2ccccn2)nc1Nc1ccc(C(=O)[O-])cc1C ZINC001211616390 1032279256 /nfs/dbraw/zinc/27/92/56/1032279256.db2.gz KKRMGTIMAHKXFE-UHFFFAOYSA-N -1 0 335.363 3.902 20 0 EHADRM Cc1cc(C(=O)N2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])sc1-c1ccccc1 ZINC000905006859 1032316481 /nfs/dbraw/zinc/31/64/81/1032316481.db2.gz SIVNZBNMHWYUHN-LZWOXQAQSA-N -1 0 341.432 3.516 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)c3ccc(C4CCCCC4)cc3)C[C@@H]21 ZINC000905005633 1032316566 /nfs/dbraw/zinc/31/65/66/1032316566.db2.gz GCZBHPOJNYOPKN-FGTMMUONSA-N -1 0 327.424 3.527 20 0 EHADRM Cc1sc(C2(C(=O)[O-])CCOCC2)nc1-c1cccc(Cl)c1 ZINC000905002191 1032316648 /nfs/dbraw/zinc/31/66/48/1032316648.db2.gz NSEUPFJCCKVNEG-UHFFFAOYSA-N -1 0 337.828 3.905 20 0 EHADRM Cc1sc(C2(C(=O)[O-])CCOCC2)nc1-c1cc(F)ccc1F ZINC000905002716 1032316903 /nfs/dbraw/zinc/31/69/03/1032316903.db2.gz KTHLVMZSQURGOU-UHFFFAOYSA-N -1 0 339.363 3.530 20 0 EHADRM COCCCCc1nc(=O)c2snc(-c3ccc(F)cc3)c2[n-]1 ZINC000905032557 1032320990 /nfs/dbraw/zinc/32/09/90/1032320990.db2.gz QGWFBVJCLMJRTH-UHFFFAOYSA-N -1 0 333.388 3.567 20 0 EHADRM Cc1ccc(Cl)c2ccc([N-]S(=O)(=O)c3ccccc3)nc12 ZINC000538367812 1032323002 /nfs/dbraw/zinc/32/30/02/1032323002.db2.gz RNZXPMWACQZCNM-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Fc1cccc(CN=c2nc(Cc3ccc(F)cc3F)[n-]s2)c1 ZINC000461216558 1032333545 /nfs/dbraw/zinc/33/35/45/1032333545.db2.gz YQHMYWWQYSWWLH-UHFFFAOYSA-N -1 0 335.354 3.580 20 0 EHADRM Cc1cc(Cl)cnc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000461217821 1032337983 /nfs/dbraw/zinc/33/79/83/1032337983.db2.gz ISVWGSQEBKJWIA-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CSCc1ccccc1NC(=O)[C@@H]1C[C@@]1(C(=O)[O-])c1ccccc1 ZINC000905119287 1032351295 /nfs/dbraw/zinc/35/12/95/1032351295.db2.gz XRSFZZKWRCYBAP-HNAYVOBHSA-N -1 0 341.432 3.531 20 0 EHADRM CC1(C)[C@@H](c2ccccc2)CCN1C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000905124131 1032351950 /nfs/dbraw/zinc/35/19/50/1032351950.db2.gz RHUAMTRGGHJPEV-IXDOHACOSA-N -1 0 329.440 3.672 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)N[C@@H]1CCc2cccc3cccc1c32 ZINC000905126567 1032357105 /nfs/dbraw/zinc/35/71/05/1032357105.db2.gz RFMLMFFCQSVKBW-LZLYRXPVSA-N -1 0 335.403 3.610 20 0 EHADRM Cc1csc(Nc2cccc(NC(=O)C[C@@H](C)CC(=O)[O-])c2)n1 ZINC000905130164 1032358574 /nfs/dbraw/zinc/35/85/74/1032358574.db2.gz BDRCZETVWRYZSP-SNVBAGLBSA-N -1 0 333.413 3.635 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)c2c(C)coc2CC(=O)[O-])s1 ZINC000455840255 1032382606 /nfs/dbraw/zinc/38/26/06/1032382606.db2.gz DRDDCBLYKVGERU-LBPRGKRZSA-N -1 0 333.409 3.562 20 0 EHADRM O=S(=O)(CCc1ccccc1)[N-]c1scnc1-c1ccccc1 ZINC000536893581 1032401652 /nfs/dbraw/zinc/40/16/52/1032401652.db2.gz KRIGSKVKYXJXOI-UHFFFAOYSA-N -1 0 344.461 3.795 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])C1CCCCC1)c1cccc(F)c1 ZINC000538502915 1032402268 /nfs/dbraw/zinc/40/22/68/1032402268.db2.gz QCUZUMGFSYRCHF-GUYCJALGSA-N -1 0 335.419 3.859 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1 ZINC000263039399 1032417863 /nfs/dbraw/zinc/41/78/63/1032417863.db2.gz CFCDJXFTVLAIDC-GJZGRUSLSA-N -1 0 348.443 3.686 20 0 EHADRM Cc1cscc1C(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC000263080777 1032435865 /nfs/dbraw/zinc/43/58/65/1032435865.db2.gz SABAWTCTLRWYEJ-UHFFFAOYSA-N -1 0 343.448 3.850 20 0 EHADRM C[C@H](CCNC(=O)C1(C(=O)[O-])CCC1)c1cccc(C(F)(F)F)c1 ZINC000584410296 1032449354 /nfs/dbraw/zinc/44/93/54/1032449354.db2.gz BQHXJBQZNLWRNX-LLVKDONJSA-N -1 0 343.345 3.570 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)N[C@H](c1cccc(F)c1)C1CCCC1 ZINC000414633586 1017096664 /nfs/dbraw/zinc/09/66/64/1017096664.db2.gz UVUDVFRGJRMKTD-KRWDZBQOSA-N -1 0 336.407 3.563 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cc3ccccc3o2)cc1C ZINC000537194807 1032553805 /nfs/dbraw/zinc/55/38/05/1032553805.db2.gz JUNWIFNSIZLSIT-LLVKDONJSA-N -1 0 333.413 3.710 20 0 EHADRM C[C@@H]1CCC[C@@H](N(C)C(=O)c2cccc(Br)c2[O-])C1 ZINC000592832474 1032583525 /nfs/dbraw/zinc/58/35/25/1032583525.db2.gz DDUVAXVMYPGEDW-GHMZBOCLSA-N -1 0 326.234 3.805 20 0 EHADRM C[C@@H](S[C@H](C)C(=O)NCc1ccc(-c2cccs2)cc1)C(=O)[O-] ZINC000601993236 1032585237 /nfs/dbraw/zinc/58/52/37/1032585237.db2.gz MOTQXEXYLRUZPH-VXGBXAGGSA-N -1 0 349.477 3.626 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-])ccc1-c1ccncc1 ZINC000601993765 1032585267 /nfs/dbraw/zinc/58/52/67/1032585267.db2.gz OSSKBNNRNILQLX-CHWSQXEVSA-N -1 0 344.436 3.590 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)N(Cc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000602001137 1032589362 /nfs/dbraw/zinc/58/93/62/1032589362.db2.gz SDRBNPDZZIDIEF-LSDHHAIUSA-N -1 0 343.448 3.815 20 0 EHADRM C[C@@H](CC(=O)N=c1ccc(C2CC2)n[n-]1)c1cccc(C(F)(F)F)c1 ZINC000606201030 1032603672 /nfs/dbraw/zinc/60/36/72/1032603672.db2.gz GIXRFIUWRUGDME-NSHDSACASA-N -1 0 349.356 3.927 20 0 EHADRM O=C([N-]S(=O)(=O)/C=C\c1ccccc1)c1ccc2sccc2c1 ZINC000761004449 1032630612 /nfs/dbraw/zinc/63/06/12/1032630612.db2.gz NSPICLHCHMAGFF-LUAWRHEFSA-N -1 0 343.429 3.632 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cn(C)nc2-c2ccccc2)sc1C ZINC000091055953 1032630981 /nfs/dbraw/zinc/63/09/81/1032630981.db2.gz XIAUXFVNVLZKRV-UHFFFAOYSA-N -1 0 347.465 3.566 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 ZINC000537370715 1032666367 /nfs/dbraw/zinc/66/63/67/1032666367.db2.gz KJOZPXGHOOCCCB-GFCCVEGCSA-N -1 0 341.835 3.565 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@H](C)c1cccc(OC(C)C)c1 ZINC000659120428 1017121760 /nfs/dbraw/zinc/12/17/60/1017121760.db2.gz UPTMNVQBBMOGSP-LLVKDONJSA-N -1 0 331.368 3.564 20 0 EHADRM O=C([O-])CN(C(=O)c1sc2cc(F)ccc2c1Cl)C1CCC1 ZINC000655597008 1017138809 /nfs/dbraw/zinc/13/88/09/1017138809.db2.gz NRGXGKHCWSNGJG-UHFFFAOYSA-N -1 0 341.791 3.773 20 0 EHADRM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(Cl)c(C)c1 ZINC000655598208 1017148581 /nfs/dbraw/zinc/14/85/81/1017148581.db2.gz YZOCEWYMLYKVKD-UHFFFAOYSA-N -1 0 341.864 3.843 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCC(C)(C)CC3)n2)c1 ZINC000530749451 1017208737 /nfs/dbraw/zinc/20/87/37/1017208737.db2.gz WVGYDTXEYLPLKY-UHFFFAOYSA-N -1 0 341.455 3.964 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC000324848013 1017250761 /nfs/dbraw/zinc/25/07/61/1017250761.db2.gz DNFMOORKZTXBFG-LBPRGKRZSA-N -1 0 335.375 3.747 20 0 EHADRM CCc1cccc2c(CCNC(=O)c3cc(F)c([O-])c(F)c3)c[nH]c21 ZINC000183601900 1017360468 /nfs/dbraw/zinc/36/04/68/1017360468.db2.gz VZRKEJRAQGZQDN-UHFFFAOYSA-N -1 0 344.361 3.687 20 0 EHADRM CCC(CC)(CC(=O)Nc1cc(OC)c(Cl)cc1OC)C(=O)[O-] ZINC000011169560 1017485429 /nfs/dbraw/zinc/48/54/29/1017485429.db2.gz RYSWAXPMEMJTNH-UHFFFAOYSA-N -1 0 343.807 3.577 20 0 EHADRM CCCc1nc(C)c(CN=c2[n-]nc(Cc3ccc(F)cc3)s2)o1 ZINC000549199773 1017612369 /nfs/dbraw/zinc/61/23/69/1017612369.db2.gz LBJJPWQOKOACHI-UHFFFAOYSA-N -1 0 346.431 3.551 20 0 EHADRM CSCc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000545367375 1017668912 /nfs/dbraw/zinc/66/89/12/1017668912.db2.gz JSCAWCQNAUQQHW-UHFFFAOYSA-N -1 0 349.477 3.675 20 0 EHADRM CC(C)n1ccc(Nc2ccc3ccccc3c2S(=O)(=O)[O-])n1 ZINC001210343863 1017831312 /nfs/dbraw/zinc/83/13/12/1017831312.db2.gz MENXCRDCHDFFCO-UHFFFAOYSA-N -1 0 331.397 3.608 20 0 EHADRM O=C([O-])c1cc2c(cccc2-c2ccccc2OC[C@@H]2CCOC2)[nH]1 ZINC000515500798 1032729160 /nfs/dbraw/zinc/72/91/60/1032729160.db2.gz PPSCPGMFLBAYLU-CYBMUJFWSA-N -1 0 337.375 3.948 20 0 EHADRM CCOc1ccccc1[C@@H](CC(C)C)NC(=O)N=c1[n-]nc(C)s1 ZINC000343846994 1018054871 /nfs/dbraw/zinc/05/48/71/1018054871.db2.gz BTMWNTJENPJSKP-CQSZACIVSA-N -1 0 348.472 3.576 20 0 EHADRM CCCC[C@H](C(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)ccc1C)C(C)C ZINC000623025623 1018079328 /nfs/dbraw/zinc/07/93/28/1018079328.db2.gz OVVPUNGUMVSPGB-AWEZNQCLSA-N -1 0 330.432 3.887 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2c([O-])cc(F)cc2F)C1 ZINC000606534372 1032742815 /nfs/dbraw/zinc/74/28/15/1032742815.db2.gz KNTIVFRJKFVREH-CHWSQXEVSA-N -1 0 331.362 3.997 20 0 EHADRM C[C@@H]1C(=O)CC[C@@H](C(=O)Nc2ccc3[n-]c(=S)oc3c2)C1(C)C ZINC000275709001 1018212028 /nfs/dbraw/zinc/21/20/28/1018212028.db2.gz UHMCYCVDGGPMQD-KOLCDFICSA-N -1 0 332.425 3.696 20 0 EHADRM O=C([O-])CN(Cc1ccccc1)C(=O)Nc1cccc(C(F)F)c1 ZINC000580029829 1018230096 /nfs/dbraw/zinc/23/00/96/1018230096.db2.gz IXUQQGZTCJOJHI-UHFFFAOYSA-N -1 0 334.322 3.743 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)COc2cc(C)cc(C)c2)c1 ZINC000042272193 1018313355 /nfs/dbraw/zinc/31/33/55/1018313355.db2.gz AMDMOCHJWKYCHB-UHFFFAOYSA-N -1 0 347.436 3.644 20 0 EHADRM CCC1(C(=O)Nc2cccc(CC(=O)[O-])c2)CCC(F)(F)CC1 ZINC000659138092 1018380363 /nfs/dbraw/zinc/38/03/63/1018380363.db2.gz RXEPVIJAIABDFQ-UHFFFAOYSA-N -1 0 325.355 3.858 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)Nc3c(C)cc(C)cc3C)cc2=O)cc1 ZINC000177728372 1018462676 /nfs/dbraw/zinc/46/26/76/1018462676.db2.gz ABKFODCPKDYODN-UHFFFAOYSA-N -1 0 335.407 3.652 20 0 EHADRM C[C@@H](Nc1cnc(-c2ccccc2)cn1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656093877 1018523455 /nfs/dbraw/zinc/52/34/55/1018523455.db2.gz ZWDTVBBJXIAJLW-VHDGCEQUSA-N -1 0 325.412 3.691 20 0 EHADRM O=C([O-])c1nc(-c2ccccc2OC[C@H]2CCOC2)sc1Cl ZINC000580096906 1018635659 /nfs/dbraw/zinc/63/56/59/1018635659.db2.gz SMAJDWGLFZKVET-VIFPVBQESA-N -1 0 339.800 3.577 20 0 EHADRM CN(C(=O)Nc1cc(Cl)cc(Cl)c1)C1(C(=O)[O-])CCCC1 ZINC000314901969 1018679188 /nfs/dbraw/zinc/67/91/88/1018679188.db2.gz IQAPCLZXCAYRGV-UHFFFAOYSA-N -1 0 331.199 3.855 20 0 EHADRM CCc1ccc(O)c(C(=O)Nc2ccc(NC3CCOCC3)cc2)c1 ZINC000513059926 1018726681 /nfs/dbraw/zinc/72/66/81/1018726681.db2.gz WYLXWDXGIFKBOC-UHFFFAOYSA-N -1 0 340.423 3.798 20 0 EHADRM Cc1cc(C)cc(NC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000580179742 1018745115 /nfs/dbraw/zinc/74/51/15/1018745115.db2.gz LPABXLFKLXIBGU-HNNXBMFYSA-N -1 0 326.396 3.811 20 0 EHADRM COCCOCc1cccc(-c2ccc(CCC(=O)[O-])c(OC)c2)c1 ZINC000564587009 1018828944 /nfs/dbraw/zinc/82/89/44/1018828944.db2.gz WLOIUNVSOXEZOF-UHFFFAOYSA-N -1 0 344.407 3.542 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000237057077 1018916582 /nfs/dbraw/zinc/91/65/82/1018916582.db2.gz RGFMGPRMCFXSNJ-IBGZPJMESA-N -1 0 343.448 3.887 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)[C@]1(C)CC=C(C)CC1 ZINC000614386596 1018944623 /nfs/dbraw/zinc/94/46/23/1018944623.db2.gz GLAZNOSMGSIUIU-GOSISDBHSA-N -1 0 326.400 3.561 20 0 EHADRM COC[C@H](NC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1)c1ccccc1 ZINC000237069606 1018966144 /nfs/dbraw/zinc/96/61/44/1018966144.db2.gz ZCKTVNRGJVARIX-FXAWDEMLSA-N -1 0 347.455 3.552 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2sc(C)nc2C)cc1Cl ZINC000433511605 1019031686 /nfs/dbraw/zinc/03/16/86/1019031686.db2.gz UAEMXGQDCOCXLP-UHFFFAOYSA-N -1 0 346.861 3.613 20 0 EHADRM COC(=O)c1nc(Cl)cnc1Nc1cc(Cl)c([O-])c(Cl)c1 ZINC001210923967 1019037977 /nfs/dbraw/zinc/03/79/77/1019037977.db2.gz AFQRLDQEABPMRH-UHFFFAOYSA-N -1 0 348.573 3.673 20 0 EHADRM CS(=O)(=O)c1ccc(Nc2cc(Cl)c([O-])c(Cl)c2)cc1 ZINC001210926557 1019058642 /nfs/dbraw/zinc/05/86/42/1019058642.db2.gz BUBFBMOKAMFVLJ-UHFFFAOYSA-N -1 0 332.208 3.846 20 0 EHADRM COc1cc(Br)cc(CO)c1Nc1cccc([S-])c1 ZINC001210947786 1019107101 /nfs/dbraw/zinc/10/71/01/1019107101.db2.gz YLDDDNHNCSXTCX-UHFFFAOYSA-N -1 0 340.242 3.982 20 0 EHADRM COC(=O)c1cc(Nc2ccccc2C(=O)[O-])c(OC)cc1Cl ZINC001210969909 1019152097 /nfs/dbraw/zinc/15/20/97/1019152097.db2.gz ZBFQFDBYONABAB-UHFFFAOYSA-N -1 0 335.743 3.577 20 0 EHADRM COc1ccc(-c2n[nH]cc2CNc2cccc(C(=O)[O-])c2C)cc1 ZINC000340679802 1019207126 /nfs/dbraw/zinc/20/71/26/1019207126.db2.gz NUDZQRXDNZTEPL-UHFFFAOYSA-N -1 0 337.379 3.704 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)Nc1ccc(F)c(F)c1 ZINC000683921781 1019244395 /nfs/dbraw/zinc/24/43/95/1019244395.db2.gz BBMLTEKRSZVQMX-HOTGVXAUSA-N -1 0 346.333 3.787 20 0 EHADRM COCc1cc(-c2cc(C)ccc2O[C@@H](C)C(=O)[O-])ccc1OC ZINC000515671314 1032825240 /nfs/dbraw/zinc/82/52/40/1032825240.db2.gz FEXXFZRHVMETGB-ZDUSSCGKSA-N -1 0 330.380 3.669 20 0 EHADRM C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)N=c2[n-]nc(C3CC3)s2)C1 ZINC000580460898 1019404930 /nfs/dbraw/zinc/40/49/30/1019404930.db2.gz PFSQAGXDERUXKF-DOMZBBRYSA-N -1 0 342.468 3.843 20 0 EHADRM FC(F)(F)[C@@H](C[C@@H]1CCCO1)[N-]c1noc(-c2ccccc2)n1 ZINC000656228079 1019432530 /nfs/dbraw/zinc/43/25/30/1019432530.db2.gz OXFKHRZQTPXDPG-NWDGAFQWSA-N -1 0 327.306 3.649 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)C[C@H]2OCc3ccccc32)cc1)C(=O)[O-] ZINC000656238128 1019510634 /nfs/dbraw/zinc/51/06/34/1019510634.db2.gz JPCZCSJKIOZGSX-SCLBCKFNSA-N -1 0 339.391 3.550 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OC(F)F)c2)c(F)c1 ZINC000513374885 1019595727 /nfs/dbraw/zinc/59/57/27/1019595727.db2.gz AZVUZEGNXKLCBR-UHFFFAOYSA-N -1 0 345.342 3.845 20 0 EHADRM Cc1cc(Cl)nc(CNC(=O)c2cccc(C(F)(F)F)c2[O-])c1 ZINC001625866793 1019609727 /nfs/dbraw/zinc/60/97/27/1019609727.db2.gz ONLNLXFCWIFZSI-UHFFFAOYSA-N -1 0 344.720 3.698 20 0 EHADRM C[C@H](CC(=O)NCc1ccc(C(=O)[O-])o1)Cc1ccc(Cl)cc1 ZINC000262792058 1019732296 /nfs/dbraw/zinc/73/22/96/1019732296.db2.gz PWRKWWKBUVNVFY-NSHDSACASA-N -1 0 335.787 3.516 20 0 EHADRM C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)CC[C@@H]1C(=O)[O-] ZINC000262871516 1019752846 /nfs/dbraw/zinc/75/28/46/1019752846.db2.gz GCFRCYLTCSBQAT-WEZQJLTASA-N -1 0 337.419 3.513 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)CCCCC(=O)[O-] ZINC000263255972 1019852481 /nfs/dbraw/zinc/85/24/81/1019852481.db2.gz FOYXENCBHKLQKA-OLZOCXBDSA-N -1 0 325.836 3.935 20 0 EHADRM O=C(Nc1cc(Br)cc(Cl)c1[O-])[C@H]1C[C@@H]1C(F)F ZINC000513605350 1019852848 /nfs/dbraw/zinc/85/28/48/1019852848.db2.gz RVHFTUJIMKLQIA-WDSKDSINSA-N -1 0 340.551 3.648 20 0 EHADRM Fc1ncc(Br)cc1Nc1cc(-c2ccccn2)no1 ZINC001211266557 1019878766 /nfs/dbraw/zinc/87/87/66/1019878766.db2.gz OZAOQLVSBMBQBL-UHFFFAOYSA-N -1 0 335.136 3.777 20 0 EHADRM Cc1nc(C(=O)N2CCC[C@@H]2c2ccccc2Cl)ccc1C(=O)[O-] ZINC000263350900 1019882235 /nfs/dbraw/zinc/88/22/35/1019882235.db2.gz PPRROISIVPSADC-MRXNPFEDSA-N -1 0 344.798 3.719 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nc3c(ccc(F)c3F)s2)c(C)o1 ZINC000345194551 1020017823 /nfs/dbraw/zinc/01/78/23/1020017823.db2.gz RJJYBVFLVXAIIJ-UHFFFAOYSA-N -1 0 344.364 3.585 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cc(C)oc2C)cc1Cl ZINC000345245644 1020093730 /nfs/dbraw/zinc/09/37/30/1020093730.db2.gz YSJZVSFQSOJRAD-UHFFFAOYSA-N -1 0 329.805 3.749 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)N[C@H](C)c1c(F)cccc1Cl)C1CC1 ZINC000580826613 1020099434 /nfs/dbraw/zinc/09/94/34/1020099434.db2.gz LGNBPGOYJFXCSS-RNCFNFMXSA-N -1 0 342.798 3.577 20 0 EHADRM Clc1ccc([C@@H]2CC[C@H](N=c3[n-]c(C4CCOCC4)no3)C2)cc1 ZINC000574257514 1032887111 /nfs/dbraw/zinc/88/71/11/1032887111.db2.gz MEUBSALMXKSVRP-ZBFHGGJFSA-N -1 0 347.846 3.787 20 0 EHADRM Clc1ccc([C@H]2CC[C@H](N=c3[n-]c(C4CCOCC4)no3)C2)cc1 ZINC000574257513 1032887200 /nfs/dbraw/zinc/88/72/00/1032887200.db2.gz MEUBSALMXKSVRP-HOCLYGCPSA-N -1 0 347.846 3.787 20 0 EHADRM Cc1ccccc1[C@@H](CC(C)C)NC(=O)N=c1ncn(C(C)(C)C)[n-]1 ZINC000345607130 1020382653 /nfs/dbraw/zinc/38/26/53/1020382653.db2.gz LYJFJYBJJAEMNP-MRXNPFEDSA-N -1 0 343.475 3.672 20 0 EHADRM CC(C)SCC(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000581055266 1020390564 /nfs/dbraw/zinc/39/05/64/1020390564.db2.gz FCMJQIMFIDVYJM-MRXNPFEDSA-N -1 0 331.437 3.613 20 0 EHADRM CC[C@@H](C(=O)Nc1cc(Cl)c([O-])cc1F)c1c(C)noc1C ZINC000345651221 1020425475 /nfs/dbraw/zinc/42/54/75/1020425475.db2.gz VXGJQUMHCUHLPU-SECBINFHSA-N -1 0 326.755 3.922 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1occc1Br ZINC000345698655 1020440258 /nfs/dbraw/zinc/44/02/58/1020440258.db2.gz FZXCMBJEDZJZBE-UHFFFAOYSA-N -1 0 334.528 3.793 20 0 EHADRM CC(C)c1ccccc1S(=O)(=O)[N-]c1n[nH]c2ccc(F)cc21 ZINC000345679733 1020448353 /nfs/dbraw/zinc/44/83/53/1020448353.db2.gz XFSHLZAMKBUKMN-UHFFFAOYSA-N -1 0 333.388 3.626 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000581134218 1020465756 /nfs/dbraw/zinc/46/57/56/1020465756.db2.gz RXBDYMZNCKEUGR-HGMXIMQMSA-N -1 0 343.345 3.687 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2Cl)c1 ZINC000345745596 1020493260 /nfs/dbraw/zinc/49/32/60/1020493260.db2.gz IUUOHNVMRKXTMJ-OLZOCXBDSA-N -1 0 347.773 3.848 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)C(=O)[O-] ZINC000345805259 1020517343 /nfs/dbraw/zinc/51/73/43/1020517343.db2.gz LFNKJUAPRQZIIL-GFCCVEGCSA-N -1 0 343.210 3.704 20 0 EHADRM C[C@H](NC(=O)CC1(C(=O)[O-])CCCCC1)c1c(F)cccc1F ZINC000320110333 1020517843 /nfs/dbraw/zinc/51/78/43/1020517843.db2.gz WRQQTTDMYKUOSS-NSHDSACASA-N -1 0 325.355 3.567 20 0 EHADRM O=C([O-])c1sc2ccsc2c1CNC(=O)[C@@H]1CCC[C@@H](F)C1 ZINC000581246772 1020581370 /nfs/dbraw/zinc/58/13/70/1020581370.db2.gz LFTVMGMCCQNOKZ-RKDXNWHRSA-N -1 0 341.429 3.806 20 0 EHADRM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)cc1)c1ccccc1F ZINC000345917521 1020591287 /nfs/dbraw/zinc/59/12/87/1020591287.db2.gz YEJZSNQNSPGWQL-BDJLRTHQSA-N -1 0 349.789 3.915 20 0 EHADRM Cc1cc(C(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])c(C)n1C1CC1 ZINC000345893387 1020592372 /nfs/dbraw/zinc/59/23/72/1020592372.db2.gz VYQOOEALOFYBIB-WBVHZDCISA-N -1 0 332.444 3.593 20 0 EHADRM COc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000340953829 1020675190 /nfs/dbraw/zinc/67/51/90/1020675190.db2.gz LWBQEALPSMRBTG-UHFFFAOYSA-N -1 0 331.315 3.573 20 0 EHADRM O=C([O-])[C@H](CC(=O)N[C@@H]1C[C@H]1c1ccccc1Cl)c1ccccc1 ZINC000656485394 1020704779 /nfs/dbraw/zinc/70/47/79/1020704779.db2.gz MIZYNSAOOSPWHG-HLLBOEOZSA-N -1 0 343.810 3.571 20 0 EHADRM O=C([O-])CC1(CC(=O)NCc2ccc(Cl)c(Cl)c2)CCC1 ZINC000656485470 1020705426 /nfs/dbraw/zinc/70/54/26/1020705426.db2.gz FMUPNWNOLNJLGN-UHFFFAOYSA-N -1 0 330.211 3.645 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NCc1ccc(-c2cccs2)cc1 ZINC000656485793 1020707724 /nfs/dbraw/zinc/70/77/24/1020707724.db2.gz HCBWSGUEQIDWDR-CVEARBPZSA-N -1 0 341.432 3.698 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)Nc1ccc(Cl)c(Cl)c1)C1CCC1 ZINC000581347614 1020723044 /nfs/dbraw/zinc/72/30/44/1020723044.db2.gz XPLFDKDLSQCMQH-QMMMGPOBSA-N -1 0 331.199 3.853 20 0 EHADRM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2c(C)cccc2O)c1 ZINC000656623865 1021052401 /nfs/dbraw/zinc/05/24/01/1021052401.db2.gz JWIVGAGQBAQIBH-CYBMUJFWSA-N -1 0 335.425 3.679 20 0 EHADRM O=S(=O)([N-]c1ccc(Oc2cccnc2)cc1)c1cccs1 ZINC000341183624 1021057816 /nfs/dbraw/zinc/05/78/16/1021057816.db2.gz KDLGJVQORGMGOS-UHFFFAOYSA-N -1 0 332.406 3.736 20 0 EHADRM CO[C@@H](CS(=O)(=O)Nc1cccc(C(C)(F)F)c1)C1CCCC1 ZINC000656629395 1021062842 /nfs/dbraw/zinc/06/28/42/1021062842.db2.gz UXQUTPVXKFANNL-HNNXBMFYSA-N -1 0 347.427 3.745 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2ccc(C(F)F)nc2)cc1 ZINC000656633400 1021066250 /nfs/dbraw/zinc/06/62/50/1021066250.db2.gz AVANSWHDCAWNQU-UHFFFAOYSA-N -1 0 326.368 3.773 20 0 EHADRM CCCN(C(=O)N[C@H]1CCSc2ccccc21)[C@H](CC)C(=O)[O-] ZINC000581584926 1021112959 /nfs/dbraw/zinc/11/29/59/1021112959.db2.gz HWLNSUFYOQDPHF-UONOGXRCSA-N -1 0 336.457 3.508 20 0 EHADRM O=C(CSc1ccc2ccccc2c1)N=c1ccc(C2CC2)n[n-]1 ZINC000341216043 1021115660 /nfs/dbraw/zinc/11/56/60/1021115660.db2.gz LTROHWGCWXUXPX-UHFFFAOYSA-N -1 0 335.432 3.660 20 0 EHADRM Cc1[nH]c2c(cc(C)cc2CN=c2nc(C(F)(F)F)[n-]s2)c1C ZINC000439155537 1021194589 /nfs/dbraw/zinc/19/45/89/1021194589.db2.gz BXMYUKDNZAOUKB-UHFFFAOYSA-N -1 0 340.374 3.997 20 0 EHADRM O=C(C(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccc(O)cc1 ZINC000436778222 1021206677 /nfs/dbraw/zinc/20/66/77/1021206677.db2.gz QWUCMFFUHLKLSW-UHFFFAOYSA-N -1 0 345.398 3.804 20 0 EHADRM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2cc(C(C)C)on2)c1 ZINC000656729350 1021214083 /nfs/dbraw/zinc/21/40/83/1021214083.db2.gz YMWAAXWGBNGZOP-LBPRGKRZSA-N -1 0 338.429 3.776 20 0 EHADRM CC(C)Cc1ccc([C@H](NC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])C(C)C)cc1 ZINC000507362157 1021218191 /nfs/dbraw/zinc/21/81/91/1021218191.db2.gz XFOWDRIROFPWHT-FGTMMUONSA-N -1 0 331.456 3.809 20 0 EHADRM COc1ccc(C2(NC(=O)c3cc(F)cc(Cl)c3[O-])CC2)cc1 ZINC000436783994 1021224486 /nfs/dbraw/zinc/22/44/86/1021224486.db2.gz OKYVSWNGTCLUIN-UHFFFAOYSA-N -1 0 335.762 3.612 20 0 EHADRM Cc1ccnc([N-]S(=O)(=O)c2sccc2Cl)c1C1CC1 ZINC000656738779 1021234633 /nfs/dbraw/zinc/23/46/33/1021234633.db2.gz GRASDOHARFMVHO-UHFFFAOYSA-N -1 0 328.846 3.783 20 0 EHADRM COc1c(C)cc(S(=O)(=O)[N-]c2nccc(C)c2C2CC2)cc1C ZINC000656739062 1021234948 /nfs/dbraw/zinc/23/49/48/1021234948.db2.gz RQZMLEFLIGUBOC-UHFFFAOYSA-N -1 0 346.452 3.694 20 0 EHADRM COc1nc2ccc(NC(=O)c3cc(F)c([O-])c(F)c3)cc2s1 ZINC000436792596 1021237645 /nfs/dbraw/zinc/23/76/45/1021237645.db2.gz ODGNCNKSNRWYFG-UHFFFAOYSA-N -1 0 336.319 3.541 20 0 EHADRM Cc1sc([N-]S(=O)(=O)CCCC2CCOCC2)nc1C(C)C ZINC000656740392 1021237672 /nfs/dbraw/zinc/23/76/72/1021237672.db2.gz QCESVPPMAVUCDH-UHFFFAOYSA-N -1 0 346.518 3.523 20 0 EHADRM Cn1ccnc1-c1cccc(NC(=O)c2ccc(Cl)cc2[O-])c1 ZINC000436811641 1021254593 /nfs/dbraw/zinc/25/45/93/1021254593.db2.gz QSURLWISSXAZJO-UHFFFAOYSA-N -1 0 327.771 3.698 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1c(F)cccc1Oc1ccccc1 ZINC000507424144 1021258249 /nfs/dbraw/zinc/25/82/49/1021258249.db2.gz NVJMXPJKMLYKLF-CHWSQXEVSA-N -1 0 329.327 3.667 20 0 EHADRM COc1cccc([C@H]2C[C@H](C)CN2C(=O)c2ccc(C)cc2O)c1 ZINC000436841277 1021285015 /nfs/dbraw/zinc/28/50/15/1021285015.db2.gz YNDPFGWJBUMQCF-KBXCAEBGSA-N -1 0 325.408 3.933 20 0 EHADRM COc1ccc([C@@H]2CCCN2Cc2cc(C)c(C(=O)[O-])o2)cc1F ZINC000656763155 1021287370 /nfs/dbraw/zinc/28/73/70/1021287370.db2.gz MAFRGJVFTBJEDZ-HNNXBMFYSA-N -1 0 333.359 3.771 20 0 EHADRM Cc1cc(S(=O)(=O)NC2(c3ccccc3F)CC2)sc1Cl ZINC000473857892 1021288102 /nfs/dbraw/zinc/28/81/02/1021288102.db2.gz IHDBVWXAFDQZIN-UHFFFAOYSA-N -1 0 345.848 3.817 20 0 EHADRM C[C@@H]1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)C[C@H](C)O1 ZINC000656764345 1021289519 /nfs/dbraw/zinc/28/95/19/1021289519.db2.gz ARVLBJRFDGTGIY-BFVZDQMLSA-N -1 0 332.227 3.618 20 0 EHADRM CC1(C)CO[C@H](c2cccc(Cl)c2)CN1CCCCC(=O)[O-] ZINC000656764597 1021290275 /nfs/dbraw/zinc/29/02/75/1021290275.db2.gz CNVLTJSJMIXNRV-HNNXBMFYSA-N -1 0 325.836 3.747 20 0 EHADRM COCc1cnc(NC(=O)c2c([O-])cc(Cl)cc2Cl)s1 ZINC000436848252 1021292274 /nfs/dbraw/zinc/29/22/74/1021292274.db2.gz NTHKIRULUNKVGC-UHFFFAOYSA-N -1 0 333.196 3.554 20 0 EHADRM COc1ccc([C@@H]2CCCN2Cc2cc(C(=O)[O-])c(C)o2)cc1F ZINC000656763847 1021293067 /nfs/dbraw/zinc/29/30/67/1021293067.db2.gz RLBFHTMMVDTANM-INIZCTEOSA-N -1 0 333.359 3.771 20 0 EHADRM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1nccn1-c1ccccc1 ZINC000430628686 1021295009 /nfs/dbraw/zinc/29/50/09/1021295009.db2.gz PCJPWBVGEKNWDP-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM CC(C)Oc1ccccc1C[N@@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000656766416 1021298787 /nfs/dbraw/zinc/29/87/87/1021298787.db2.gz RMSZUMUEXGKCIG-BZSNNMDCSA-N -1 0 331.456 3.939 20 0 EHADRM O=C([O-])c1cccc2oc(/C=C\c3ccn(-c4ccccc4)n3)nc21 ZINC000439276291 1021314145 /nfs/dbraw/zinc/31/41/45/1021314145.db2.gz OUHBUGFEUGKRHV-KTKRTIGZSA-N -1 0 331.331 3.882 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)NCCCCC(=O)[O-] ZINC000669493699 1032969656 /nfs/dbraw/zinc/96/96/56/1032969656.db2.gz WXKQNGHCLFQCCV-UHFFFAOYSA-N -1 0 326.824 3.841 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CCOCC12CCCCC2 ZINC000518562943 1021321728 /nfs/dbraw/zinc/32/17/28/1021321728.db2.gz RBKGWWUZTWRKAZ-UHFFFAOYSA-N -1 0 343.345 3.586 20 0 EHADRM CN(Cc1ccc(F)cc1F)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436883881 1021335510 /nfs/dbraw/zinc/33/55/10/1021335510.db2.gz CNZHLAMKICPXOT-UHFFFAOYSA-N -1 0 329.705 3.735 20 0 EHADRM O=C(NCCc1ccc(F)cc1Cl)c1cc(F)c([O-])c(Cl)c1 ZINC000436886021 1021338079 /nfs/dbraw/zinc/33/80/79/1021338079.db2.gz JGRSXGJBCCNJCV-UHFFFAOYSA-N -1 0 346.160 3.950 20 0 EHADRM CC(C)[C@@H](C)N(C(=O)c1cc(F)cc(Br)c1[O-])C1CC1 ZINC000436889440 1021343617 /nfs/dbraw/zinc/34/36/17/1021343617.db2.gz BQXBJSXJSXUMMF-SECBINFHSA-N -1 0 344.224 3.943 20 0 EHADRM Cc1nc(-c2ccc(C(=O)Nc3cc(F)cc(Cl)c3[O-])cc2)n[nH]1 ZINC000436908489 1021354241 /nfs/dbraw/zinc/35/42/41/1021354241.db2.gz VNYXBOIZFRTIEO-UHFFFAOYSA-N -1 0 346.749 3.531 20 0 EHADRM O=C(Nc1cccc(N2CCCCC2=O)c1)c1ccc(Cl)cc1[O-] ZINC000436911087 1021355127 /nfs/dbraw/zinc/35/51/27/1021355127.db2.gz SFFUMHIRWQISIV-UHFFFAOYSA-N -1 0 344.798 3.815 20 0 EHADRM O=C(NCCc1ccc2ccccc2n1)c1cc(F)c([O-])c(Cl)c1 ZINC000436912280 1021357281 /nfs/dbraw/zinc/35/72/81/1021357281.db2.gz SDEQOZOGLXAMKO-UHFFFAOYSA-N -1 0 344.773 3.705 20 0 EHADRM O=C(N[C@@H](CO)c1ccsc1)c1cc(Cl)c2ccccc2c1[O-] ZINC000436911824 1021358495 /nfs/dbraw/zinc/35/84/95/1021358495.db2.gz BADSPKULQDLWOV-HNNXBMFYSA-N -1 0 347.823 3.724 20 0 EHADRM C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436913836 1021371931 /nfs/dbraw/zinc/37/19/31/1021371931.db2.gz HGRIBLMUSWWUSH-CBAPKCEASA-N -1 0 339.716 3.988 20 0 EHADRM CCc1nc(-c2ccccc2NC(=O)c2ccc(Cl)cc2[O-])n[nH]1 ZINC000093247402 1021390923 /nfs/dbraw/zinc/39/09/23/1021390923.db2.gz UKSJZROSLIGKLT-UHFFFAOYSA-N -1 0 342.786 3.645 20 0 EHADRM COc1ccc(O)c(-c2nc(-c3cnc(-c4ccccc4)nc3)no2)c1 ZINC000436934379 1021393166 /nfs/dbraw/zinc/39/31/66/1021393166.db2.gz SLKCZVMSTUQQAI-UHFFFAOYSA-N -1 0 346.346 3.575 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2ccc3nc(C)sc3c2)c1 ZINC000436936289 1021397912 /nfs/dbraw/zinc/39/79/12/1021397912.db2.gz NHHVGZBETCMDEP-UHFFFAOYSA-N -1 0 326.377 3.765 20 0 EHADRM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)c1ccc(O)cc1 ZINC000436964746 1021411612 /nfs/dbraw/zinc/41/16/12/1021411612.db2.gz SFBCWXZUHOOXHE-OALUTQOASA-N -1 0 337.419 3.760 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccnn2CCC(C)C)c1 ZINC000518682637 1021418764 /nfs/dbraw/zinc/41/87/64/1021418764.db2.gz SAEFRCWOMGUYAJ-UHFFFAOYSA-N -1 0 341.864 3.692 20 0 EHADRM O=C(Nc1cnn(-c2ccc(Cl)cc2)c1)c1c([O-])cccc1F ZINC000436960321 1021423375 /nfs/dbraw/zinc/42/33/75/1021423375.db2.gz GYXQJOUXFCKKJK-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM CC[C@@H](CN(CC)C(=O)N=c1[n-]nc(C2CC2)s1)c1ccccc1 ZINC000516443239 1021430281 /nfs/dbraw/zinc/43/02/81/1021430281.db2.gz IGRNNLRWNMZWEI-ZDUSSCGKSA-N -1 0 344.484 3.885 20 0 EHADRM C[C@H]1CCCC[C@H]1N(C)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000436997548 1021456397 /nfs/dbraw/zinc/45/63/97/1021456397.db2.gz GJHMSCFQTUVCDK-TVQRCGJNSA-N -1 0 344.224 3.945 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000436985706 1021457969 /nfs/dbraw/zinc/45/79/69/1021457969.db2.gz FPZZAODDCSEZHN-UHFFFAOYSA-N -1 0 337.350 3.990 20 0 EHADRM CC(C)c1cccc2c1CCN(C(=O)c1cc(F)c([O-])c(F)c1)C2 ZINC000436998725 1021469699 /nfs/dbraw/zinc/46/96/99/1021469699.db2.gz YUKIOLSYWJMUNF-UHFFFAOYSA-N -1 0 331.362 3.992 20 0 EHADRM CSCc1ccc(C(=O)N[C@@H](CC(=O)[O-])C2CCCCC2)cc1 ZINC000345991824 1021481897 /nfs/dbraw/zinc/48/18/97/1021481897.db2.gz FPFQYCFWRQMIBN-INIZCTEOSA-N -1 0 335.469 3.703 20 0 EHADRM CCCc1nc(=NC(=O)N(CCC)Cc2ccc(C)cc2)s[n-]1 ZINC000581695556 1021541296 /nfs/dbraw/zinc/54/12/96/1021541296.db2.gz PGOSERQOYZMHNN-UHFFFAOYSA-N -1 0 332.473 3.665 20 0 EHADRM CCCC[C@@H](NC(=O)N[C@H](C)c1cc2ccccc2s1)C(=O)[O-] ZINC000518815831 1021592935 /nfs/dbraw/zinc/59/29/35/1021592935.db2.gz KOUYLPWPWMOPKD-DGCLKSJQSA-N -1 0 334.441 3.905 20 0 EHADRM COCCN=c1[n-]nc(S[C@@H](C)c2c(C)cc(C)cc2C)s1 ZINC000518843211 1021621527 /nfs/dbraw/zinc/62/15/27/1021621527.db2.gz AZEOSHORNNPBGB-ZDUSSCGKSA-N -1 0 337.514 3.797 20 0 EHADRM CCCc1nc(=NC(=O)N(CC)Cc2cccc(Cl)c2)s[n-]1 ZINC000519728878 1021637436 /nfs/dbraw/zinc/63/74/36/1021637436.db2.gz VECJMNIWKZKMIL-UHFFFAOYSA-N -1 0 338.864 3.620 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)CCc2cc3ccccc3o2)c2ccccc21 ZINC000439713592 1021656333 /nfs/dbraw/zinc/65/63/33/1021656333.db2.gz VSSFRMAFQWDDTP-INIZCTEOSA-N -1 0 335.359 3.580 20 0 EHADRM Cc1ccc(S[C@H](C)C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000439720235 1021672465 /nfs/dbraw/zinc/67/24/65/1021672465.db2.gz QDIJEIPGMBTZCC-CJNGLKHVSA-N -1 0 341.432 3.691 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1nc2c(s1)C[C@@H](C)CC2 ZINC000437307614 1021719482 /nfs/dbraw/zinc/71/94/82/1021719482.db2.gz KIQRFGYUKQNVLE-VIFPVBQESA-N -1 0 340.445 3.516 20 0 EHADRM CCc1cnc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)s1 ZINC000437324691 1021729556 /nfs/dbraw/zinc/72/95/56/1021729556.db2.gz JXUMHUTZOSFNPD-UHFFFAOYSA-N -1 0 340.470 3.602 20 0 EHADRM COc1cccc(NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)c1 ZINC000519859479 1021730072 /nfs/dbraw/zinc/73/00/72/1021730072.db2.gz MLICJPWJJOIRDG-IRXDYDNUSA-N -1 0 340.379 3.517 20 0 EHADRM COc1cc(F)ccc1[N-]S(=O)(=O)c1csc2ccccc21 ZINC000506688111 1021735490 /nfs/dbraw/zinc/73/54/90/1021735490.db2.gz GVUJJSWVFUGCQL-UHFFFAOYSA-N -1 0 337.397 3.850 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ncc(C(C)(C)C)s2)c(F)cc1F ZINC000439871028 1021781073 /nfs/dbraw/zinc/78/10/73/1021781073.db2.gz NJEGYCHNRIWIOT-UHFFFAOYSA-N -1 0 346.424 3.828 20 0 EHADRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)c1cccc2c1CCC2 ZINC000439891481 1021789942 /nfs/dbraw/zinc/78/99/42/1021789942.db2.gz COSLNZLUQRDNAD-UHFFFAOYSA-N -1 0 343.810 3.556 20 0 EHADRM O=C(CCCc1ccc(O)c(F)c1)N[C@H]1C[C@H](c2ccccc2)C1 ZINC000437456292 1021850778 /nfs/dbraw/zinc/85/07/78/1021850778.db2.gz XADBONIEJJTVPJ-QAQDUYKDSA-N -1 0 327.399 3.916 20 0 EHADRM COc1cc(C)c([N-]S(=O)(=O)c2cc3ccccc3o2)cc1C ZINC000516948329 1021881937 /nfs/dbraw/zinc/88/19/37/1021881937.db2.gz SQRZELXKYCCFNB-UHFFFAOYSA-N -1 0 331.393 3.859 20 0 EHADRM O=C(Nc1cc2c(cc1Cl)OCO2)c1cc(F)c([O-])c(Cl)c1 ZINC000517009330 1021936633 /nfs/dbraw/zinc/93/66/33/1021936633.db2.gz IODYWQHVIYPYHH-UHFFFAOYSA-N -1 0 344.125 3.819 20 0 EHADRM O=C([O-])[C@@H](CC(=O)Nc1ccccc1OCC1CC1)c1ccccc1 ZINC000607165707 1033021312 /nfs/dbraw/zinc/02/13/12/1033021312.db2.gz WDUSNJITGAJFTF-INIZCTEOSA-N -1 0 339.391 3.672 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2cnc(C3CC3)o2)cc1)c1ccco1 ZINC000437665796 1022029566 /nfs/dbraw/zinc/02/95/66/1022029566.db2.gz HZIGQRBUUIMLJU-UHFFFAOYSA-N -1 0 330.365 3.613 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccnc2-c2csc(C)c2)o1 ZINC000437677222 1022047649 /nfs/dbraw/zinc/04/76/49/1022047649.db2.gz CMIGJGPQLUYAQP-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM O=S(=O)([N-]c1ccccc1OCCc1ccccc1)c1ccco1 ZINC000437681867 1022063671 /nfs/dbraw/zinc/06/36/71/1022063671.db2.gz RAQFHYREXCEART-UHFFFAOYSA-N -1 0 343.404 3.702 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)N(CC(=O)[O-])Cc2ccccc2)c1 ZINC000517273715 1022189467 /nfs/dbraw/zinc/18/94/67/1022189467.db2.gz FOBANOZOMDMFAC-CQSZACIVSA-N -1 0 342.395 3.513 20 0 EHADRM C[C@](CNC(=O)CC/C=C\c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000574313859 1033036128 /nfs/dbraw/zinc/03/61/28/1033036128.db2.gz XQCPLCKSRQOWTQ-PRUHCIRGSA-N -1 0 337.419 3.639 20 0 EHADRM CC[C@H](c1n[n-]c(=NC(=O)N(C)C2CCC2)s1)c1ccccc1 ZINC000438015396 1022320681 /nfs/dbraw/zinc/32/06/81/1022320681.db2.gz FMYAKHOBXQNBML-AWEZNQCLSA-N -1 0 330.457 3.518 20 0 EHADRM CCC[C@H](C)N(C)C(=O)N=c1[n-]nc(Cc2ccc(C)cc2)s1 ZINC000517474126 1022355492 /nfs/dbraw/zinc/35/54/92/1022355492.db2.gz VQSJAGSEBXEFCX-ZDUSSCGKSA-N -1 0 332.473 3.512 20 0 EHADRM CC[C@@H]1CCCN(C(=O)N=c2[n-]nc(Cc3ccc(C)cc3)s2)C1 ZINC000517473757 1022357128 /nfs/dbraw/zinc/35/71/28/1022357128.db2.gz SGRFCZDVBPILIG-CQSZACIVSA-N -1 0 344.484 3.513 20 0 EHADRM CCCOc1ccc([N-]S(=O)(=O)c2cccs2)cc1Cl ZINC000048655832 1022365692 /nfs/dbraw/zinc/36/56/92/1022365692.db2.gz CLWDETLNNJHTHM-UHFFFAOYSA-N -1 0 331.846 3.991 20 0 EHADRM CCc1ccccc1CNC(=O)N=c1[n-]nc(-c2ccsc2)s1 ZINC000607201317 1033053413 /nfs/dbraw/zinc/05/34/13/1033053413.db2.gz CTVPNUFSNBVGOL-UHFFFAOYSA-N -1 0 344.465 3.573 20 0 EHADRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)cc1F ZINC000048499643 1022441052 /nfs/dbraw/zinc/44/10/52/1022441052.db2.gz NEFOHMVLERVFFG-UHFFFAOYSA-N -1 0 333.793 3.543 20 0 EHADRM CCc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000048499658 1022442495 /nfs/dbraw/zinc/44/24/95/1022442495.db2.gz SGZBXUJTODHLDV-UHFFFAOYSA-N -1 0 329.830 3.657 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC[C@H](C)C3)n2)cc1 ZINC000124070649 1022445204 /nfs/dbraw/zinc/44/52/04/1022445204.db2.gz ULKQPAMJBXBPJP-AWEZNQCLSA-N -1 0 327.428 3.573 20 0 EHADRM CC(C)CCn1ccc([N-]S(=O)(=O)Cc2cccc(Cl)c2)n1 ZINC000517586144 1022473940 /nfs/dbraw/zinc/47/39/40/1022473940.db2.gz LIURYUMAPIFFOD-UHFFFAOYSA-N -1 0 341.864 3.525 20 0 EHADRM CCc1[nH]nc([N-]S(=O)(=O)c2ccc(CCC(C)C)cc2)c1C ZINC000438231707 1022492756 /nfs/dbraw/zinc/49/27/56/1022492756.db2.gz DUFPHIKEPDVWDW-UHFFFAOYSA-N -1 0 335.473 3.670 20 0 EHADRM O=C(N=c1nc(-c2cccnc2)[n-]s1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000328782240 1022500281 /nfs/dbraw/zinc/50/02/81/1022500281.db2.gz GCEPOJIMTFBLJM-BFHYXJOUSA-N -1 0 342.468 3.567 20 0 EHADRM O[C@H]1CC[C@H](CN=c2[n-]nc(-c3cc(Cl)cc(Cl)c3)s2)C1 ZINC000473704961 1022564516 /nfs/dbraw/zinc/56/45/16/1022564516.db2.gz IHEYLHWZTDAFGK-UFBFGSQYSA-N -1 0 344.267 3.507 20 0 EHADRM O[C@@H]1CC[C@H](CN=c2[n-]nc(-c3cc(Cl)cc(Cl)c3)s2)C1 ZINC000473704960 1022565924 /nfs/dbraw/zinc/56/59/24/1022565924.db2.gz IHEYLHWZTDAFGK-QPUJVOFHSA-N -1 0 344.267 3.507 20 0 EHADRM COc1ccccc1CO[N-]C(=O)[C@H](c1ccncc1)C1CCCC1 ZINC000897657339 1033065477 /nfs/dbraw/zinc/06/54/77/1033065477.db2.gz PLTUSEUSSNYQFR-IBGZPJMESA-N -1 0 340.423 3.612 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)nn2C(C)(C)C)o1 ZINC000330642587 1022627063 /nfs/dbraw/zinc/62/70/63/1022627063.db2.gz DXUPKGKTLMDIDS-UHFFFAOYSA-N -1 0 339.461 3.638 20 0 EHADRM O=C(Nc1n[nH]c(-c2ccc(Cl)cc2)n1)c1ccc([O-])c(Cl)c1 ZINC000520440910 1022647949 /nfs/dbraw/zinc/64/79/49/1022647949.db2.gz YRDGNHCNJQWHEM-UHFFFAOYSA-N -1 0 349.177 3.736 20 0 EHADRM CCCc1nc(=NC(=O)CC2CCC(C(F)(F)F)CC2)s[n-]1 ZINC000330844788 1022695190 /nfs/dbraw/zinc/69/51/90/1022695190.db2.gz ZFQBICMFMRUXAX-UHFFFAOYSA-N -1 0 335.395 3.610 20 0 EHADRM O=C(N=c1nc(-c2cccc(Cl)c2)[n-]s1)C(C1CC1)C1CC1 ZINC000510605124 1022735343 /nfs/dbraw/zinc/73/53/43/1022735343.db2.gz JFCREMJEVVHDQT-UHFFFAOYSA-N -1 0 333.844 3.655 20 0 EHADRM CC(C)[C@H](C(=O)[O-])[S@@](=O)Cc1ccccc1OCc1ccccc1 ZINC000593931931 1033079717 /nfs/dbraw/zinc/07/97/17/1033079717.db2.gz QLUYKHFPWGUXFR-KOSHJBKYSA-N -1 0 346.448 3.624 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)Cc1cccc(Br)c1 ZINC000050039871 1022775966 /nfs/dbraw/zinc/77/59/66/1022775966.db2.gz ASJYQGBPIQEKPF-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM C[C@H]1CCC[C@@H](CNC(=O)N=c2[n-]nc(-c3ccsc3)s2)C1 ZINC000510670356 1022868140 /nfs/dbraw/zinc/86/81/40/1022868140.db2.gz WUSAIKMUNNLELJ-WDEREUQCSA-N -1 0 336.486 3.636 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000112266029 1022913369 /nfs/dbraw/zinc/91/33/69/1022913369.db2.gz AINWXZVWPKSTHV-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2C)c1 ZINC000112266119 1022914259 /nfs/dbraw/zinc/91/42/59/1022914259.db2.gz XXIALPGZVHKDTI-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CC(C)[C@H](CC1CCCCC1)C(=O)N=c1cc([C@@H]2CCCO2)[nH][nH]1 ZINC000473846995 1022950996 /nfs/dbraw/zinc/95/09/96/1022950996.db2.gz LAHNIDGXZIPWFJ-RDJZCZTQSA-N -1 0 333.476 3.864 20 0 EHADRM CCOCc1ccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000438723043 1022955687 /nfs/dbraw/zinc/95/56/87/1022955687.db2.gz JWIXSBFVEOWESW-UHFFFAOYSA-N -1 0 343.807 3.816 20 0 EHADRM Cc1nc(CNCc2ccc(F)cc2C(F)(F)F)sc1C(=O)[O-] ZINC000426679272 1022965827 /nfs/dbraw/zinc/96/58/27/1022965827.db2.gz UXVJGLTXLYCOJX-UHFFFAOYSA-N -1 0 348.321 3.597 20 0 EHADRM CC[C@H](C)CN(C)c1ccc(F)cc1CNCc1cc(C(=O)[O-])co1 ZINC000426714303 1022982150 /nfs/dbraw/zinc/98/21/50/1022982150.db2.gz MBHLQHBENFETGW-ZDUSSCGKSA-N -1 0 348.418 3.889 20 0 EHADRM Cc1ccc2cccc([N-]S(=O)(=O)c3cccc(F)c3C)c2n1 ZINC000438770264 1022985336 /nfs/dbraw/zinc/98/53/36/1022985336.db2.gz GYYBOUQPHYOPPL-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM O=S(=O)([N-]c1nc(Cc2ccccc2)cs1)c1ccccc1F ZINC000171155233 1033099876 /nfs/dbraw/zinc/09/98/76/1033099876.db2.gz GXYBWBOELDKGPM-UHFFFAOYSA-N -1 0 348.424 3.674 20 0 EHADRM CO[C@H](C)c1nc(=Nc2ccc(COC3CCCC3)cc2)s[n-]1 ZINC000509546377 1023037863 /nfs/dbraw/zinc/03/78/63/1023037863.db2.gz VOHPXTMBUCLRSD-GFCCVEGCSA-N -1 0 333.457 3.870 20 0 EHADRM CCc1ccc([C@H](NCc2cc(-c3ccccc3)n[nH]2)C(=O)[O-])cc1 ZINC000426813233 1023061181 /nfs/dbraw/zinc/06/11/81/1023061181.db2.gz VKTUGCRZBCYAFG-IBGZPJMESA-N -1 0 335.407 3.555 20 0 EHADRM Cc1cc2cc([N-]S(=O)(=O)c3cnc4ccccc4c3)ccc2[nH]1 ZINC000430977236 1023063062 /nfs/dbraw/zinc/06/30/62/1023063062.db2.gz DUZZTSLJJCQIPB-UHFFFAOYSA-N -1 0 337.404 3.825 20 0 EHADRM COCCSc1ccc([C@@H](C)N=c2nc(C3CC3)[n-]s2)cc1 ZINC000426896901 1023114520 /nfs/dbraw/zinc/11/45/20/1023114520.db2.gz DNXJKOMLYOHHLT-LLVKDONJSA-N -1 0 335.498 3.749 20 0 EHADRM CC(C)c1cc(C(=O)[N-]c2nsc(Cc3ccc(F)cc3)n2)on1 ZINC000891871030 1023166181 /nfs/dbraw/zinc/16/61/81/1023166181.db2.gz YXZYSNLUMCLEIQ-UHFFFAOYSA-N -1 0 346.387 3.632 20 0 EHADRM Cc1cc([C@H](C)NC(=O)c2nn(-c3ccccc3)cc2[O-])c(C)s1 ZINC000438960667 1023175092 /nfs/dbraw/zinc/17/50/92/1023175092.db2.gz OIPNRDHVRIGKEI-LBPRGKRZSA-N -1 0 341.436 3.747 20 0 EHADRM Cc1nc(-c2ccccc2)c(NC(=O)c2ncc(C)cc2[O-])s1 ZINC000427110142 1023222836 /nfs/dbraw/zinc/22/28/36/1023222836.db2.gz UHNRNKQYJBNEGV-UHFFFAOYSA-N -1 0 325.393 3.780 20 0 EHADRM CSc1ccccc1C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000507309744 1023239359 /nfs/dbraw/zinc/23/93/59/1023239359.db2.gz FDEJIFWXBRRFDY-AWEZNQCLSA-N -1 0 343.448 3.772 20 0 EHADRM COc1cccc([C@H](C)N=c2[n-]c(-c3cccc(Cl)c3)no2)c1 ZINC000593992173 1033116429 /nfs/dbraw/zinc/11/64/29/1033116429.db2.gz QGXRCZLRVNZFHI-NSHDSACASA-N -1 0 329.787 3.994 20 0 EHADRM COCc1n[n-]c(=N[C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)s1 ZINC000439107755 1023272174 /nfs/dbraw/zinc/27/21/74/1023272174.db2.gz KYAUSBKSWNWPRB-CYBMUJFWSA-N -1 0 345.390 3.934 20 0 EHADRM O=C(N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cccc(F)c1[O-] ZINC001125550295 1023283125 /nfs/dbraw/zinc/28/31/25/1023283125.db2.gz MCDPOZSSWDMVFU-BXUZGUMPSA-N -1 0 339.288 3.836 20 0 EHADRM O=S(=O)([N-]c1cccc2cccnc21)c1cnc2ccccc2c1 ZINC000205638082 1033124416 /nfs/dbraw/zinc/12/44/16/1033124416.db2.gz QPMJGOJZAIBQQY-UHFFFAOYSA-N -1 0 335.388 3.584 20 0 EHADRM CCOc1ccc(NC(=O)c2ccc(Br)c([O-])c2)cc1 ZINC000132821278 1023451348 /nfs/dbraw/zinc/45/13/48/1023451348.db2.gz DUWPLHNOSWBSMI-UHFFFAOYSA-N -1 0 336.185 3.806 20 0 EHADRM COc1ccc(NC(=O)c2ccc(Br)c([O-])c2)cc1F ZINC000133156095 1023474388 /nfs/dbraw/zinc/47/43/88/1023474388.db2.gz AYPRIKBZTMYXLB-UHFFFAOYSA-N -1 0 340.148 3.555 20 0 EHADRM O=C(Nc1ccc2c(c1)CCCC(=O)N2)c1cc(Cl)ccc1[O-] ZINC000171253457 1033158362 /nfs/dbraw/zinc/15/83/62/1033158362.db2.gz BUCBBUYTAVCMPR-UHFFFAOYSA-N -1 0 330.771 3.573 20 0 EHADRM CSc1cccc(C)c1[N-]S(=O)(=O)c1cccc(C)c1F ZINC000471981704 1023778798 /nfs/dbraw/zinc/77/87/98/1023778798.db2.gz WASHVEMAYMILAG-UHFFFAOYSA-N -1 0 325.430 3.965 20 0 EHADRM CCc1ccc(CC(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000346025971 1023954379 /nfs/dbraw/zinc/95/43/79/1023954379.db2.gz XPBLAIQOHHFOEL-QGZVFWFLSA-N -1 0 345.826 3.777 20 0 EHADRM O=C([N-]O[C@@H]1CCCCO1)C(F)(F)c1cccc(Cl)c1Cl ZINC000843781861 1023954691 /nfs/dbraw/zinc/95/46/91/1023954691.db2.gz KAPGHXKXZVDRBM-SNVBAGLBSA-N -1 0 340.153 3.660 20 0 EHADRM C[C@@H](Oc1n[n-]c(=O)cc1Br)c1ccccc1Cl ZINC001226845508 1023974939 /nfs/dbraw/zinc/97/49/39/1023974939.db2.gz GDBOHRHTNYYPBX-SSDOTTSWSA-N -1 0 329.581 3.738 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522538983 1024047285 /nfs/dbraw/zinc/04/72/85/1024047285.db2.gz FWEGKHLSIWIFDK-ZIAGYGMSSA-N -1 0 347.340 3.537 20 0 EHADRM CCC(CC)n1ncc(C(=O)Nc2ccc(C)cc2C(=O)[O-])c1C ZINC000191231877 1024047748 /nfs/dbraw/zinc/04/77/48/1024047748.db2.gz YLMDFFFTJNTDET-UHFFFAOYSA-N -1 0 329.400 3.812 20 0 EHADRM C[C@@H](N=c1[n-]nc(C2CC2)s1)c1ccc(Br)s1 ZINC000443499806 1024049590 /nfs/dbraw/zinc/04/95/90/1024049590.db2.gz LLJJSSODTZCOGZ-ZCFIWIBFSA-N -1 0 330.276 3.835 20 0 EHADRM O=C([O-])Cc1ccc(-c2ccccc2OC[C@H]2CCOC2)cc1F ZINC000657203718 1024083000 /nfs/dbraw/zinc/08/30/00/1024083000.db2.gz SWSYQLANKVGNHT-ZDUSSCGKSA-N -1 0 330.355 3.535 20 0 EHADRM Cc1cc(-c2cccc(CCC(=O)[O-])c2)ccc1O[C@H]1CCOC1 ZINC000657204722 1024087318 /nfs/dbraw/zinc/08/73/18/1024087318.db2.gz AKUVOIQOOJADOX-SFHVURJKSA-N -1 0 326.392 3.847 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000191396833 1024089498 /nfs/dbraw/zinc/08/94/98/1024089498.db2.gz LFXQFVHBFFUDMU-SUMWQHHRSA-N -1 0 333.428 3.626 20 0 EHADRM C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(Br)cc1O ZINC000093908194 1024098241 /nfs/dbraw/zinc/09/82/41/1024098241.db2.gz HEMVSNXZBXLZDV-NSHDSACASA-N -1 0 334.213 3.988 20 0 EHADRM COc1ccc([C@H]2CCCN2C(=O)c2cc(F)ccc2O)c(OC)c1 ZINC000093908350 1024100378 /nfs/dbraw/zinc/10/03/78/1024100378.db2.gz PFELJHRXHRHXQN-MRXNPFEDSA-N -1 0 345.370 3.526 20 0 EHADRM CO[C@H](C(=O)[O-])c1ccccc1-c1ccc(O[C@@H]2CCOC2)c(C)c1 ZINC000657204405 1024105020 /nfs/dbraw/zinc/10/50/20/1024105020.db2.gz KOIOBKIOXKLCMR-BEFAXECRSA-N -1 0 342.391 3.602 20 0 EHADRM COC[C@@H](C)Oc1cccc(-c2ccc3c(c2)[C@H](C(=O)[O-])CCO3)c1 ZINC000657205367 1024112019 /nfs/dbraw/zinc/11/20/19/1024112019.db2.gz SVLCTEXKHDCFEB-CXAGYDPISA-N -1 0 342.391 3.718 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2O)s1 ZINC000443530525 1024112861 /nfs/dbraw/zinc/11/28/61/1024112861.db2.gz NUEYMUQOJCHOQU-UHFFFAOYSA-N -1 0 325.455 3.860 20 0 EHADRM Cc1nc(CN[C@@]2(C(=O)[O-])C[C@H](C(C)C)c3ccccc32)cs1 ZINC000417591053 1024118331 /nfs/dbraw/zinc/11/83/31/1024118331.db2.gz RRSAWAJDZXSHDF-QAPCUYQASA-N -1 0 330.453 3.665 20 0 EHADRM C[C@H](CCc1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)CC(=O)[O-] ZINC000657205444 1024121789 /nfs/dbraw/zinc/12/17/89/1024121789.db2.gz DXUYVMAUUHEQHR-CQSZACIVSA-N -1 0 346.448 3.801 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)NC(C2CC2)C2CC2)c1Cl ZINC000614604903 1024185406 /nfs/dbraw/zinc/18/54/06/1024185406.db2.gz KOBDVOXGXAVNOF-UHFFFAOYSA-N -1 0 334.268 3.769 20 0 EHADRM CN(CC(=O)[O-])C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000611556788 1024220667 /nfs/dbraw/zinc/22/06/67/1024220667.db2.gz MKGMKKJGVAYFJZ-CYBMUJFWSA-N -1 0 346.349 3.519 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000262199938 1024221783 /nfs/dbraw/zinc/22/17/83/1024221783.db2.gz OJYJTQXFBNUWJP-LJQANCHMSA-N -1 0 341.382 3.724 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)Cc1ccccc1-2)c1cncc(F)c1 ZINC000520125706 1024225277 /nfs/dbraw/zinc/22/52/77/1024225277.db2.gz NCDZDEXUOIJHGA-UHFFFAOYSA-N -1 0 340.379 3.593 20 0 EHADRM O=C([N-]c1nnc(CC2CCCCC2)s1)c1ncc(F)cc1F ZINC000192277351 1024231618 /nfs/dbraw/zinc/23/16/18/1024231618.db2.gz QEFAAZPCMFCEOE-UHFFFAOYSA-N -1 0 338.383 3.586 20 0 EHADRM CC(=Cc1ccc(F)cc1)C(=O)[N-]S(=O)(=O)CCc1ccccc1 ZINC000079150147 1024245733 /nfs/dbraw/zinc/24/57/33/1024245733.db2.gz CPAUMAVWPBXKTB-YPKPFQOOSA-N -1 0 347.411 3.758 20 0 EHADRM CC[C@H](C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC000192891029 1024288767 /nfs/dbraw/zinc/28/87/67/1024288767.db2.gz GXSVEQIDANGYLD-OALUTQOASA-N -1 0 339.435 3.773 20 0 EHADRM COc1cc(Cl)ccc1C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000191413679 1024305793 /nfs/dbraw/zinc/30/57/93/1024305793.db2.gz XVJVSTMILLRMOC-LLVKDONJSA-N -1 0 347.798 3.864 20 0 EHADRM CCn1cc(CCSc2n[n-]c(=Nc3cccc(C)c3)s2)cn1 ZINC000505474677 1024317015 /nfs/dbraw/zinc/31/70/15/1024317015.db2.gz SEKIYYUDYHTSLR-UHFFFAOYSA-N -1 0 345.497 3.563 20 0 EHADRM CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184421923 1024415497 /nfs/dbraw/zinc/41/54/97/1024415497.db2.gz CMTXZPNQQDJZFF-BMIGLBTASA-N -1 0 343.826 3.756 20 0 EHADRM CCc1ccccc1C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000434781597 1024418064 /nfs/dbraw/zinc/41/80/64/1024418064.db2.gz AHSAQBJDIWNGNH-HNNXBMFYSA-N -1 0 325.408 3.612 20 0 EHADRM CSc1ccc(Cl)c(C(=O)NCCc2cccc(C(=O)[O-])c2)c1 ZINC000320545724 1024442126 /nfs/dbraw/zinc/44/21/26/1024442126.db2.gz DZJWNZOJFGOMRK-UHFFFAOYSA-N -1 0 349.839 3.733 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@H]2[C@@H]3c4cccc(Cl)c4C[C@H]23)c1 ZINC000528972438 1033212501 /nfs/dbraw/zinc/21/25/01/1033212501.db2.gz CHTHCYIHGBLYJE-MORSLUCNSA-N -1 0 341.794 3.773 20 0 EHADRM CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000607615919 1033216217 /nfs/dbraw/zinc/21/62/17/1033216217.db2.gz BGVYIDFULOZCTB-UHFFFAOYSA-N -1 0 341.379 3.943 20 0 EHADRM CCCC[C@H](NC(=O)c1cc(Cl)ccc1SCC)C(=O)[O-] ZINC000184992052 1024529090 /nfs/dbraw/zinc/52/90/90/1024529090.db2.gz QMKCRHDGKLTERH-LBPRGKRZSA-N -1 0 329.849 3.825 20 0 EHADRM Cc1ccc(C2CC2)c(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1 ZINC000425258691 1024534226 /nfs/dbraw/zinc/53/42/26/1024534226.db2.gz RJJFNWOMMLKYLB-WOJBJXKFSA-N -1 0 349.430 3.813 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 ZINC000417758948 1024565504 /nfs/dbraw/zinc/56/55/04/1024565504.db2.gz VRFIXTCJEZPFJW-UHFFFAOYSA-N -1 0 347.415 3.745 20 0 EHADRM Cc1ccc(C[C@@H](C[NH2+]Cc2csc(C(C)(C)C)n2)C(=O)[O-])cc1 ZINC000277316450 1024585899 /nfs/dbraw/zinc/58/58/99/1024585899.db2.gz NSWUPPIKHZJMTJ-HNNXBMFYSA-N -1 0 346.496 3.782 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)C(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000909449182 1024588496 /nfs/dbraw/zinc/58/84/96/1024588496.db2.gz MFBJVRQFKUUCMS-NSHDSACASA-N -1 0 345.361 3.644 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cccn1C1CCCC1)c1ccccc1 ZINC000190851774 1024661934 /nfs/dbraw/zinc/66/19/34/1024661934.db2.gz NHEIAINLGANHCR-KDOFPFPSSA-N -1 0 340.423 3.795 20 0 EHADRM O=S(=O)([N-]c1noc2ccc(Cl)cc21)c1ccccc1Cl ZINC000427653052 1024693700 /nfs/dbraw/zinc/69/37/00/1024693700.db2.gz HAPVCFQFKOZRGF-UHFFFAOYSA-N -1 0 343.191 3.935 20 0 EHADRM Cc1cccc(S([O-])=CC(=O)N[C@@H](c2ccccc2)C(C)C)c1 ZINC000108100679 1024750029 /nfs/dbraw/zinc/75/00/29/1024750029.db2.gz ZQMGAJXBCIKKKO-AUSIDOKSSA-N -1 0 329.465 3.616 20 0 EHADRM O=C([N-]OCc1ccccn1)C1(c2cccc(Cl)c2)CCCC1 ZINC000909527351 1024760735 /nfs/dbraw/zinc/76/07/35/1024760735.db2.gz VIDJIJAYHUMYDO-UHFFFAOYSA-N -1 0 330.815 3.795 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)nc2)c2ccccc12 ZINC000431317513 1024765035 /nfs/dbraw/zinc/76/50/35/1024765035.db2.gz DSARRSTWXJLATQ-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccsc2)nn1-c1cc(C)cc(C)c1 ZINC000507904076 1024768761 /nfs/dbraw/zinc/76/87/61/1024768761.db2.gz IGULMGLOHMPIMM-UHFFFAOYSA-N -1 0 347.465 3.660 20 0 EHADRM COc1ccc2c([N-]S(=O)(=O)c3ccccc3C(C)C)noc2c1 ZINC000427762294 1024780405 /nfs/dbraw/zinc/78/04/05/1024780405.db2.gz SRROPNMFOSUSKZ-UHFFFAOYSA-N -1 0 346.408 3.761 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cc1O)c1cccc(-c2ccccc2)c1 ZINC000507966899 1024795014 /nfs/dbraw/zinc/79/50/14/1024795014.db2.gz SEIYUGVZHZFUTF-UHFFFAOYSA-N -1 0 343.379 3.999 20 0 EHADRM O=C([O-])C1CCC(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000514862359 1024795140 /nfs/dbraw/zinc/79/51/40/1024795140.db2.gz GZUPWMBGPMIEHM-UHFFFAOYSA-N -1 0 345.317 3.805 20 0 EHADRM Clc1cccc(CN=c2[n-]nc(-c3ccon3)s2)c1Cl ZINC000514851274 1024801027 /nfs/dbraw/zinc/80/10/27/1024801027.db2.gz AQNXPIKGVFRVRY-UHFFFAOYSA-N -1 0 327.196 3.534 20 0 EHADRM CC[C@H]1CN(C(=O)c2ncc(C)cc2[O-])c2cccc(Cl)c2O1 ZINC000427919776 1024886228 /nfs/dbraw/zinc/88/62/28/1024886228.db2.gz ASWKNWXMPBJTDE-NSHDSACASA-N -1 0 332.787 3.567 20 0 EHADRM O=S(=O)([N-]c1cc(C2CCCCCC2)[nH]n1)c1cccs1 ZINC000474418162 1024922668 /nfs/dbraw/zinc/92/26/68/1024922668.db2.gz XOBXUAWOURVWTN-UHFFFAOYSA-N -1 0 325.459 3.710 20 0 EHADRM C[C@H](NC(=O)CC(C)(C)C)C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000428029503 1024949272 /nfs/dbraw/zinc/94/92/72/1024949272.db2.gz ASSTZEBQQPKAFB-QMMMGPOBSA-N -1 0 347.242 3.578 20 0 EHADRM CCc1cnc(=S)[nH]c1O[C@@H](C)c1cccc(Br)n1 ZINC001227061765 1024964486 /nfs/dbraw/zinc/96/44/86/1024964486.db2.gz PFOJPRNZLNOVBB-QMMMGPOBSA-N -1 0 340.246 3.625 20 0 EHADRM CC[C@@H](NC(=O)N(C)[C@@H](CC(C)C)C(=O)[O-])c1cccc(Cl)c1 ZINC000684719189 1024969259 /nfs/dbraw/zinc/96/92/59/1024969259.db2.gz IAWNMWUIBPXKBG-CABCVRRESA-N -1 0 340.851 3.932 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)C2(c3ccccc3F)CCCC2)cc1 ZINC000013166455 1025058653 /nfs/dbraw/zinc/05/86/53/1025058653.db2.gz MVXYCIGSJLXNNZ-UHFFFAOYSA-N -1 0 341.382 3.652 20 0 EHADRM COCc1cc(-c2ccc(CSCC(=O)[O-])cc2)ccc1OC ZINC000520839709 1025079389 /nfs/dbraw/zinc/07/93/89/1025079389.db2.gz PGFRJAHXJIIYQL-UHFFFAOYSA-N -1 0 332.421 3.826 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cc1 ZINC000262817555 1033257987 /nfs/dbraw/zinc/25/79/87/1033257987.db2.gz AOGLUEYYFUICDW-GFCCVEGCSA-N -1 0 327.355 3.684 20 0 EHADRM C[C@H](c1ccccc1)[C@H](C)NC(=O)N(CC(=O)[O-])C1CCCCC1 ZINC000684734105 1025093825 /nfs/dbraw/zinc/09/38/25/1025093825.db2.gz FBMVLUIULWEGQH-GJZGRUSLSA-N -1 0 332.444 3.608 20 0 EHADRM Cc1cc([C@@H](NCc2cnc(C3CC3)s2)C(=O)[O-])ccc1Cl ZINC000582051911 1025099522 /nfs/dbraw/zinc/09/95/22/1025099522.db2.gz TTXBAJBTSVJXHL-CQSZACIVSA-N -1 0 336.844 3.898 20 0 EHADRM CCCCc1n[n-]c(=NCc2ccc(N(C)c3ccccc3)nc2)o1 ZINC000435711559 1025100723 /nfs/dbraw/zinc/10/07/23/1025100723.db2.gz QEOOBQYBFNYIIB-UHFFFAOYSA-N -1 0 337.427 3.609 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(Br)cc2F)cc1 ZINC000013254170 1025101169 /nfs/dbraw/zinc/10/11/69/1025101169.db2.gz XAMLCKKVHINUCE-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM C[C@@](CC(=O)Nc1cccc(Cl)c1F)(C(=O)[O-])c1ccccc1 ZINC000013254378 1025101257 /nfs/dbraw/zinc/10/12/57/1025101257.db2.gz JNALVYUGJMCRTJ-KRWDZBQOSA-N -1 0 335.762 3.850 20 0 EHADRM CN(CC12CC3CC(CC(C3)C1)C2)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000435724097 1025107487 /nfs/dbraw/zinc/10/74/87/1025107487.db2.gz WANJMLCDNLIEDV-WPVVBZQFSA-N -1 0 333.472 3.552 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccccc2)s1)NCc1ccc(Cl)cc1 ZINC000515233697 1025112737 /nfs/dbraw/zinc/11/27/37/1025112737.db2.gz UKWURXXNMQKEFJ-UHFFFAOYSA-N -1 0 344.827 3.602 20 0 EHADRM FC(F)(F)COCc1cccc(CN=c2nc(C3CC3)[n-]s2)c1 ZINC000441946354 1025118558 /nfs/dbraw/zinc/11/85/58/1025118558.db2.gz IRGXJVFIOCDWMH-UHFFFAOYSA-N -1 0 343.374 3.528 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccccc1CCC(=O)[O-] ZINC000909550334 1025121388 /nfs/dbraw/zinc/12/13/88/1025121388.db2.gz CIYBJWNWPASOCU-MAUKXSAKSA-N -1 0 337.419 3.722 20 0 EHADRM CSc1cc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)c(C)o1 ZINC000909474332 1025149892 /nfs/dbraw/zinc/14/98/92/1025149892.db2.gz HRJQKRCGMZOZAT-UHFFFAOYSA-N -1 0 347.436 3.817 20 0 EHADRM COc1ccccc1-n1nc(C)cc1Nc1cc(C)cc(C(=O)[O-])c1 ZINC001211539098 1025154009 /nfs/dbraw/zinc/15/40/09/1025154009.db2.gz FRTMZILDRYRRAN-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM COc1ccnc(Br)c1Nc1cc(C)cc(C(=O)[O-])c1 ZINC001211539040 1025154324 /nfs/dbraw/zinc/15/43/24/1025154324.db2.gz CFHUHVSDAQVOGH-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM Cc1cc(CC(C)(C)C(=O)[O-])ccc1-c1cncc(-n2cccn2)c1 ZINC000582073610 1025180575 /nfs/dbraw/zinc/18/05/75/1025180575.db2.gz KJBXMGNZSGZSNM-UHFFFAOYSA-N -1 0 335.407 3.896 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)c1ccc(OC2CCCCC2)cc1 ZINC000522746176 1025196288 /nfs/dbraw/zinc/19/62/88/1025196288.db2.gz MMIJHSLFAFVMQB-UHFFFAOYSA-N -1 0 337.423 3.740 20 0 EHADRM CC(C)[C@H]1CCCN(C(=O)N=c2nc(-c3ccccc3)[n-]s2)C1 ZINC000444042254 1025199651 /nfs/dbraw/zinc/19/96/51/1025199651.db2.gz AEXNAAIZUNVYFR-AWEZNQCLSA-N -1 0 330.457 3.527 20 0 EHADRM CC(C)[C@H]1CCCN(C(=O)N=c2[n-]nc(-c3ccccc3)s2)C1 ZINC000444047877 1025201973 /nfs/dbraw/zinc/20/19/73/1025201973.db2.gz GWZOLFFTNYYEBD-AWEZNQCLSA-N -1 0 330.457 3.527 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cccc(-c3nccs3)c2)[C@@H](C(=O)[O-])C1 ZINC000684745439 1025213284 /nfs/dbraw/zinc/21/32/84/1025213284.db2.gz JVUABNOJHZWRQQ-BXUZGUMPSA-N -1 0 345.424 3.527 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ncc(-c3ccccc3)s2)[C@H](C(=O)[O-])C1 ZINC000521168745 1025244695 /nfs/dbraw/zinc/24/46/95/1025244695.db2.gz CENRCIRPACSILL-YPMHNXCESA-N -1 0 345.424 3.527 20 0 EHADRM Cc1nc2cc(NC(=O)c3cccc(Br)c3[O-])ccc2o1 ZINC000521247848 1025284431 /nfs/dbraw/zinc/28/44/31/1025284431.db2.gz YUUIJNXVRYGWDY-UHFFFAOYSA-N -1 0 347.168 3.857 20 0 EHADRM Fc1cccc2[nH]c(CN=c3[n-]nc(CC4CCCCC4)o3)cc21 ZINC000436014427 1025292914 /nfs/dbraw/zinc/29/29/14/1025292914.db2.gz DYERKFJDSMOPFH-UHFFFAOYSA-N -1 0 328.391 3.847 20 0 EHADRM O=C(Cc1ccccc1OC(F)F)Nc1cc(Cl)c([O-])cc1F ZINC000515528106 1025324648 /nfs/dbraw/zinc/32/46/48/1025324648.db2.gz KKHWNXCLLAJBPH-UHFFFAOYSA-N -1 0 345.704 3.967 20 0 EHADRM FC(F)(F)c1nc(=NCc2ccccc2OC2CCC2)s[n-]1 ZINC000342420521 1025337039 /nfs/dbraw/zinc/33/70/39/1025337039.db2.gz VSLKWBORKJACMA-UHFFFAOYSA-N -1 0 329.347 3.522 20 0 EHADRM O=C(NCCCCOCc1ccccc1)c1c(O)cccc1Cl ZINC000051442459 1025339006 /nfs/dbraw/zinc/33/90/06/1025339006.db2.gz ZZZRTEWDCHPMJJ-UHFFFAOYSA-N -1 0 333.815 3.772 20 0 EHADRM CCn1ccnc1[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1O ZINC000281694017 1025381778 /nfs/dbraw/zinc/38/17/78/1025381778.db2.gz GQBWAOZPVMZHLO-AWEZNQCLSA-N -1 0 333.819 3.629 20 0 EHADRM Cc1cc(C)c(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)c(C)c1 ZINC000013466777 1025397127 /nfs/dbraw/zinc/39/71/27/1025397127.db2.gz RESHADCAXKQOTB-FQEVSTJZSA-N -1 0 325.408 3.983 20 0 EHADRM Cc1n[nH]cc1-c1n[n-]c(=NCc2cc3cc(C)c(C)cc3o2)s1 ZINC000436156901 1025423307 /nfs/dbraw/zinc/42/33/07/1025423307.db2.gz XQSPTNFEINSOGF-UHFFFAOYSA-N -1 0 339.424 3.634 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)CCC(=O)c1csc2ccccc12 ZINC000442745906 1025462441 /nfs/dbraw/zinc/46/24/41/1025462441.db2.gz QIGLPTZOCJIYCN-LBPRGKRZSA-N -1 0 347.436 3.576 20 0 EHADRM CC(C)(C)c1ccc([N-]S(=O)(=O)c2sccc2F)c(O)c1 ZINC000451045998 1025464201 /nfs/dbraw/zinc/46/42/01/1025464201.db2.gz NQPNFTIUCKDHHZ-UHFFFAOYSA-N -1 0 329.418 3.691 20 0 EHADRM Cc1cc(-c2noc(-c3nc[n-]c3C(=O)c3ccccc3)n2)c(C)o1 ZINC000347142486 1025565672 /nfs/dbraw/zinc/56/56/72/1025565672.db2.gz KLOILBRFJULVGN-UHFFFAOYSA-N -1 0 334.335 3.568 20 0 EHADRM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000329054355 1025582555 /nfs/dbraw/zinc/58/25/55/1025582555.db2.gz HUDQFSVFMYARJM-APHBMKBZSA-N -1 0 341.411 3.575 20 0 EHADRM CC(C)CC1(C)CCN(C(=O)N=c2ccc(C(F)(F)F)n[n-]2)CC1 ZINC000521675540 1025591059 /nfs/dbraw/zinc/59/10/59/1025591059.db2.gz LIVRYYDSHZNDMC-UHFFFAOYSA-N -1 0 344.381 3.597 20 0 EHADRM C/C(=C/C(C)(C)C)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000588507466 1025597670 /nfs/dbraw/zinc/59/76/70/1025597670.db2.gz YHGAFKJVYIGKBN-KTKRTIGZSA-N -1 0 349.374 3.503 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1 ZINC000521719403 1025621645 /nfs/dbraw/zinc/62/16/45/1025621645.db2.gz HAMKTONBYGSOEE-GYUQRCGZSA-N -1 0 335.513 3.859 20 0 EHADRM O=C1CC[C@H](N=c2[n-]nc(-c3ccccc3Cl)s2)[C@H](C2CC2)N1 ZINC000329217116 1025671666 /nfs/dbraw/zinc/67/16/66/1025671666.db2.gz PPORZFPDNUBGNN-JSGCOSHPSA-N -1 0 348.859 3.590 20 0 EHADRM CC(C)CN=c1[n-]nc(SC[C@@H]2CCC3(CCCC3)O2)s1 ZINC000530346558 1025685637 /nfs/dbraw/zinc/68/56/37/1025685637.db2.gz FKCLHAVYBUFZNI-LBPRGKRZSA-N -1 0 327.519 3.612 20 0 EHADRM Cc1ccc(C(=O)Nc2cc(Br)cc(Cl)c2[O-])n1C ZINC000342471060 1025721800 /nfs/dbraw/zinc/72/18/00/1025721800.db2.gz GPVNQSUBVLWPAJ-UHFFFAOYSA-N -1 0 343.608 3.707 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000261601448 1025741675 /nfs/dbraw/zinc/74/16/75/1025741675.db2.gz BKQLVAGKPARMCQ-SFHVURJKSA-N -1 0 349.814 3.968 20 0 EHADRM CCCC[C@@H](NC(=O)[C@H](CC)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000347263071 1025762070 /nfs/dbraw/zinc/76/20/70/1025762070.db2.gz PQKVUQWJDGBDBI-ZIAGYGMSSA-N -1 0 345.361 3.959 20 0 EHADRM CC(C)c1nc(/C=C/c2c[nH]c(C(F)(F)F)c2)ncc1C(=O)[O-] ZINC000436473241 1025767394 /nfs/dbraw/zinc/76/73/94/1025767394.db2.gz HDVJRVFMBCYGCG-ONEGZZNKSA-N -1 0 325.290 3.816 20 0 EHADRM CCCC[C@@H](NC(=O)C1(c2cccc(Cl)c2)CCCC1)C(=O)[O-] ZINC000347268608 1025774755 /nfs/dbraw/zinc/77/47/55/1025774755.db2.gz YWFZIRPVQBIMLW-OAHLLOKOSA-N -1 0 337.847 3.911 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)N(CC(=O)[O-])CC(C)C)cc1 ZINC000521930772 1025791614 /nfs/dbraw/zinc/79/16/14/1025791614.db2.gz UDTJSVYUHCGCPK-UHFFFAOYSA-N -1 0 336.432 3.686 20 0 EHADRM CCOC1(CNC(=O)c2c([O-])cc(Cl)cc2Cl)CCCC1 ZINC000436524242 1025826663 /nfs/dbraw/zinc/82/66/63/1025826663.db2.gz ZTJANJHTIIFBMO-UHFFFAOYSA-N -1 0 332.227 3.778 20 0 EHADRM CC(=O)Nc1cc(NC(=O)c2cc(F)c([O-])c(F)c2)ccc1Cl ZINC000436532521 1025840333 /nfs/dbraw/zinc/84/03/33/1025840333.db2.gz RSQDYLISJUDDLY-UHFFFAOYSA-N -1 0 340.713 3.535 20 0 EHADRM Fc1cccc(Cc2n[n-]c(=NCc3ccc(C(F)F)cc3)o2)c1 ZINC000530474551 1025885978 /nfs/dbraw/zinc/88/59/78/1025885978.db2.gz DZRSBTHCECCGTQ-UHFFFAOYSA-N -1 0 333.313 3.771 20 0 EHADRM Cc1nn(C(C)(C)C)c(C)c1CN=c1[n-]nc(CC2CCCCC2)o1 ZINC000329483508 1025911876 /nfs/dbraw/zinc/91/18/76/1025911876.db2.gz QEIKEFLQXOSRFL-UHFFFAOYSA-N -1 0 345.491 3.795 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCOC2(CCCC2)C1 ZINC000436593382 1025912288 /nfs/dbraw/zinc/91/22/88/1025912288.db2.gz AZZCIHGJZSUUIJ-UHFFFAOYSA-N -1 0 345.826 3.984 20 0 EHADRM COc1ncccc1Cc1noc(-c2ccc3ccccc3c2O)n1 ZINC000436595967 1025912933 /nfs/dbraw/zinc/91/29/33/1025912933.db2.gz OCNQFDQEDPRAGG-UHFFFAOYSA-N -1 0 333.347 3.590 20 0 EHADRM O=C(NCc1coc(-c2ccccc2)n1)c1ccc(Cl)cc1O ZINC000436587400 1025927571 /nfs/dbraw/zinc/92/75/71/1025927571.db2.gz DXLWTLOPQPIOJH-UHFFFAOYSA-N -1 0 328.755 3.631 20 0 EHADRM CCC[C@H]1CCCN(C(=O)c2ccc(Br)cc2O)C1 ZINC000436588507 1025928083 /nfs/dbraw/zinc/92/80/83/1025928083.db2.gz MYERKBGRWDGLSW-NSHDSACASA-N -1 0 326.234 3.807 20 0 EHADRM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1nc2ccccc2s1 ZINC000388900385 1025936379 /nfs/dbraw/zinc/93/63/79/1025936379.db2.gz MJVUDEFHYOIEAQ-UHFFFAOYSA-N -1 0 336.413 3.853 20 0 EHADRM c1c2c(nn1C1CCCC1)[C@H](N=c1nc(C3CC3)[n-]s1)CCC2 ZINC000329528964 1025959446 /nfs/dbraw/zinc/95/94/46/1025959446.db2.gz UWVDBKWGXCNEHP-CQSZACIVSA-N -1 0 329.473 3.639 20 0 EHADRM CSc1cccc(NC(=O)c2cc(NC(C)=O)ccc2O)c1C ZINC000436630847 1025960506 /nfs/dbraw/zinc/96/05/06/1025960506.db2.gz PILQZEQYPXAMCT-UHFFFAOYSA-N -1 0 330.409 3.633 20 0 EHADRM CCO[C@@H]1C[C@@H](NC(=O)c2cc(F)c([O-])c(F)c2)C12CCCCC2 ZINC000436638514 1025968955 /nfs/dbraw/zinc/96/89/55/1025968955.db2.gz IOHJQZYNJXAYNS-HUUCEWRRSA-N -1 0 339.382 3.528 20 0 EHADRM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000262293513 1025982702 /nfs/dbraw/zinc/98/27/02/1025982702.db2.gz WIEGJQRJRPJIOX-QYZOEREBSA-N -1 0 335.403 3.679 20 0 EHADRM O=C(c1cc2ccccc2cc1O)N1CCOc2cccc(F)c2C1 ZINC000436655564 1025982988 /nfs/dbraw/zinc/98/29/88/1025982988.db2.gz JGNQMDNMOGWDFI-UHFFFAOYSA-N -1 0 337.350 3.719 20 0 EHADRM C[C@@H](NC(=O)c1ccc(O)cc1O)c1cccc(C(F)(F)F)c1 ZINC000436654893 1025983094 /nfs/dbraw/zinc/98/30/94/1025983094.db2.gz JWJBLSDTZPDOTF-SECBINFHSA-N -1 0 325.286 3.608 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccccc2OC(F)F)c1 ZINC000436643509 1025990274 /nfs/dbraw/zinc/99/02/74/1025990274.db2.gz FKLFRYVIJGMWDZ-UHFFFAOYSA-N -1 0 335.306 3.839 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2occc2Br)c1 ZINC000436643216 1025990318 /nfs/dbraw/zinc/99/03/18/1025990318.db2.gz DPTYECLQPAPIKA-UHFFFAOYSA-N -1 0 338.157 3.593 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N[C@@H]2CCCCc3ccccc32)s1 ZINC000522952228 1025990403 /nfs/dbraw/zinc/99/04/03/1025990403.db2.gz XWSHDUKAEAYDQE-CYBMUJFWSA-N -1 0 348.497 3.661 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)COc2c(C)cccc2C)c1 ZINC000436644293 1025993894 /nfs/dbraw/zinc/99/38/94/1025993894.db2.gz IQPXEJIYCJMCMW-UHFFFAOYSA-N -1 0 327.380 3.619 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CCc2ccc(F)cc2F)c1 ZINC000436647333 1025999908 /nfs/dbraw/zinc/99/99/08/1025999908.db2.gz JPOOMDXEYWFOGV-UHFFFAOYSA-N -1 0 333.334 3.834 20 0 EHADRM Cc1ccccc1-c1csc(NC(=O)C(=O)c2ccc(O)cc2)n1 ZINC000436664664 1026003703 /nfs/dbraw/zinc/00/37/03/1026003703.db2.gz LSFVNPRXPSGVFK-UHFFFAOYSA-N -1 0 338.388 3.646 20 0 EHADRM CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000436671441 1026012452 /nfs/dbraw/zinc/01/24/52/1026012452.db2.gz JFJQOUVTPNDLOO-NSHDSACASA-N -1 0 346.814 3.826 20 0 EHADRM CCC(CC)(NC(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000342515533 1026019189 /nfs/dbraw/zinc/01/91/89/1026019189.db2.gz ADUOTUZFCRASHT-STQMWFEESA-N -1 0 343.345 3.569 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)Cc2c(Cl)cccc2OC)c1 ZINC000436660088 1026019275 /nfs/dbraw/zinc/01/92/75/1026019275.db2.gz UHLPKGXRSRCIRN-UHFFFAOYSA-N -1 0 347.798 3.828 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2ccc(F)cc2OC(F)F)c1 ZINC000436677274 1026027953 /nfs/dbraw/zinc/02/79/53/1026027953.db2.gz CIYLXWKNTXQIPT-UHFFFAOYSA-N -1 0 339.269 3.588 20 0 EHADRM COCc1n[n-]c(=N[C@H](C)C(c2ccccc2)c2ccccc2)s1 ZINC000443432056 1026035178 /nfs/dbraw/zinc/03/51/78/1026035178.db2.gz SPPDOTYEFZDIBM-CQSZACIVSA-N -1 0 339.464 3.739 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CCCc2ccc(F)c(F)c2)c1 ZINC000436683319 1026037585 /nfs/dbraw/zinc/03/75/85/1026037585.db2.gz YBSPEOTZFACDHZ-UHFFFAOYSA-N -1 0 333.334 3.834 20 0 EHADRM COc1c(O)cccc1/C=C\c1nc(-c2ccccc2)ncc1C(=O)[O-] ZINC000443443920 1026041065 /nfs/dbraw/zinc/04/10/65/1026041065.db2.gz NWCKYHLJDCGPGJ-KHPPLWFESA-N -1 0 348.358 3.726 20 0 EHADRM Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1cc(Cl)ccc1O ZINC000436694675 1026053011 /nfs/dbraw/zinc/05/30/11/1026053011.db2.gz HTZUJYBOWSNHRZ-JTQLQIEISA-N -1 0 335.835 3.797 20 0 EHADRM CN(c1ccccc1NC(=O)C(=O)c1ccc(O)cc1)C1CCCC1 ZINC000436705068 1026068881 /nfs/dbraw/zinc/06/88/81/1026068881.db2.gz JBXMRLOQHMYVKL-UHFFFAOYSA-N -1 0 338.407 3.592 20 0 EHADRM O=C(Nc1nc2c(s1)CSCC2)c1cc(F)cc(Cl)c1[O-] ZINC000436712463 1026080943 /nfs/dbraw/zinc/08/09/43/1026080943.db2.gz FZQQDVMQAZAMMY-UHFFFAOYSA-N -1 0 344.820 3.683 20 0 EHADRM CCc1n[n-]c(=NC(=O)N2CC(C)(C)C[C@H]2c2ccccc2)s1 ZINC000425616570 1026120919 /nfs/dbraw/zinc/12/09/19/1026120919.db2.gz AWGRTZRFZYQNBG-ZDUSSCGKSA-N -1 0 330.457 3.528 20 0 EHADRM O=C(c1ccc(F)cc1[O-])N1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000436730481 1026122927 /nfs/dbraw/zinc/12/29/27/1026122927.db2.gz WXWFZUZYBTWWJQ-QGZVFWFLSA-N -1 0 339.288 3.520 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000347357686 1026189595 /nfs/dbraw/zinc/18/95/95/1026189595.db2.gz DJINVPXFWLUSEL-UHFFFAOYSA-N -1 0 341.382 3.648 20 0 EHADRM Clc1cc(Cl)c(OCCN=c2[n-]nc(C3CC3)o2)c(Cl)c1 ZINC000342542076 1026211472 /nfs/dbraw/zinc/21/14/72/1026211472.db2.gz NSVVMVJNHKEHPK-UHFFFAOYSA-N -1 0 348.617 3.820 20 0 EHADRM CC[C@](C)(CC(=O)[O-])C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000634822082 1026278465 /nfs/dbraw/zinc/27/84/65/1026278465.db2.gz MRGOEVVVHJQHLT-GOSISDBHSA-N -1 0 328.368 3.703 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)C2(c3cccc(F)c3)CCC2)c1 ZINC000262441848 1026314944 /nfs/dbraw/zinc/31/49/44/1026314944.db2.gz USQYMLNHBHMLIU-UHFFFAOYSA-N -1 0 341.382 3.903 20 0 EHADRM CN(C(=O)Nc1ccc(OC(F)F)cc1)C1(C(=O)[O-])CCCCC1 ZINC000392680914 1026427363 /nfs/dbraw/zinc/42/73/63/1026427363.db2.gz LGMMZSKYAOACNA-UHFFFAOYSA-N -1 0 342.342 3.539 20 0 EHADRM CC(C)c1nc2cc(NC(=O)N3CC[C@H](C)C[C@@H]3C(=O)[O-])ccc2o1 ZINC000582524739 1026497650 /nfs/dbraw/zinc/49/76/50/1026497650.db2.gz UWCUUEJIDLXWNC-SMDDNHRTSA-N -1 0 345.399 3.668 20 0 EHADRM CCOc1ccc([C@@H](C)N=c2nc(CC(C)C)[n-]s2)cc1OC ZINC000475356304 1026509550 /nfs/dbraw/zinc/50/95/50/1026509550.db2.gz ZXTOCBBPFIEHAH-GFCCVEGCSA-N -1 0 335.473 3.739 20 0 EHADRM O=C(NCCCC1CCOCC1)c1c([O-])cc(Cl)cc1Cl ZINC000452206117 1026572908 /nfs/dbraw/zinc/57/29/08/1026572908.db2.gz JMSZSNLYQLQIFX-UHFFFAOYSA-N -1 0 332.227 3.636 20 0 EHADRM COc1cc(NC(=O)COc2ccc(C(C)C)cc2)ccc1C(=O)[O-] ZINC000262126440 1026727531 /nfs/dbraw/zinc/72/75/31/1026727531.db2.gz CPYDCBYRVFIXQZ-UHFFFAOYSA-N -1 0 343.379 3.534 20 0 EHADRM Cc1cc(CN=c2[n-]nc(-c3cc(Cl)cc(Cl)c3)s2)no1 ZINC000531252975 1026735097 /nfs/dbraw/zinc/73/50/97/1026735097.db2.gz NEHVOOPEMKYFLV-UHFFFAOYSA-N -1 0 341.223 3.842 20 0 EHADRM C[C@H]([N-]c1nc(-c2cccc(Cl)c2)no1)c1nnc2ccccn21 ZINC000301557528 1026852784 /nfs/dbraw/zinc/85/27/84/1026852784.db2.gz WZUYOXFYHFYIKD-JTQLQIEISA-N -1 0 340.774 3.606 20 0 EHADRM O=C(c1ccc(F)cc1[O-])N1CCC(Oc2ccccc2Cl)CC1 ZINC000153061023 1026991089 /nfs/dbraw/zinc/99/10/89/1026991089.db2.gz XPYOYAMCNVVBDV-UHFFFAOYSA-N -1 0 349.789 3.868 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccccc2Cl)cc1C ZINC000342785207 1027038447 /nfs/dbraw/zinc/03/84/47/1027038447.db2.gz SOKZRIIBQWFPJH-SNVBAGLBSA-N -1 0 327.837 3.617 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)c2ccccc2C(C)(C)C)sc1C(=O)[O-] ZINC000237560280 1027060930 /nfs/dbraw/zinc/06/09/30/1027060930.db2.gz IJUCWCCBWQDWGT-LLVKDONJSA-N -1 0 346.452 3.938 20 0 EHADRM CCc1ccc([C@@H]2CN([C@@H](C(=O)[O-])c3ccccc3F)CCO2)cc1 ZINC000582729368 1027079497 /nfs/dbraw/zinc/07/94/97/1027079497.db2.gz BJZKZBFMULBGAV-RBUKOAKNSA-N -1 0 343.398 3.587 20 0 EHADRM Cc1cn(C(C)(C)C(=O)Nc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC000897284260 1027093665 /nfs/dbraw/zinc/09/36/65/1027093665.db2.gz VSOAZFYXYNCSNW-UHFFFAOYSA-N -1 0 328.199 3.578 20 0 EHADRM CCC[C@H]1CCCC[C@@H]1NC(=O)N=c1[n-]nc(SCC)s1 ZINC000560320362 1027175874 /nfs/dbraw/zinc/17/58/74/1027175874.db2.gz BNWSMQSYXRKBNG-QWRGUYRKSA-N -1 0 328.507 3.552 20 0 EHADRM FC(F)Cn1ccc([N-]c2nn3cc(C4CCCC4)nc3s2)n1 ZINC000302519683 1027178402 /nfs/dbraw/zinc/17/84/02/1027178402.db2.gz IJDCXJLOSOWCJH-UHFFFAOYSA-N -1 0 338.387 3.654 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3noc(C)n3)c2)c(C)s1 ZINC000126777538 1027238136 /nfs/dbraw/zinc/23/81/36/1027238136.db2.gz RPRQZHTUHJKVTP-UHFFFAOYSA-N -1 0 349.437 3.524 20 0 EHADRM N#Cc1ccc(C(=O)[O-])nc1/C=C/c1nc(-c2ccccc2)cs1 ZINC000076106421 1027241064 /nfs/dbraw/zinc/24/10/64/1027241064.db2.gz AUGJXUJYGZUMHP-CMDGGOBGSA-N -1 0 333.372 3.945 20 0 EHADRM CCc1nocc1CN=c1[n-]nc([C@@H](CC)c2ccccc2)s1 ZINC000453048223 1027258983 /nfs/dbraw/zinc/25/89/83/1027258983.db2.gz TVGYMERXDBBLAD-AWEZNQCLSA-N -1 0 328.441 3.664 20 0 EHADRM CCC(CC)(C(=O)NCC1(C(=O)[O-])CCC1)c1ccc(Cl)cc1 ZINC000531751448 1027314246 /nfs/dbraw/zinc/31/42/46/1027314246.db2.gz POQVOQSJYLCRAI-UHFFFAOYSA-N -1 0 337.847 3.769 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000414451383 1027482708 /nfs/dbraw/zinc/48/27/08/1027482708.db2.gz NKTYJOWKQPGGNH-RWEMILLDSA-N -1 0 342.222 3.598 20 0 EHADRM CCO[C@H](CC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1)C1=CCCC1 ZINC000414456579 1027552420 /nfs/dbraw/zinc/55/24/20/1027552420.db2.gz UCZMEOPCIRUIEX-SUMWQHHRSA-N -1 0 331.412 3.719 20 0 EHADRM CCC(CC)(CN=c1[n-]nc(C2CC2)o1)c1ccc(OC)c(OC)c1 ZINC000342845955 1027621413 /nfs/dbraw/zinc/62/14/13/1027621413.db2.gz CBFRCJATTNZNKE-UHFFFAOYSA-N -1 0 345.443 3.556 20 0 EHADRM OCCC[C@H](N=c1nc(C2CCCCC2)[n-]s1)c1ccccc1 ZINC000420602294 1027639011 /nfs/dbraw/zinc/63/90/11/1027639011.db2.gz OKPRLNLHQXZJAM-INIZCTEOSA-N -1 0 331.485 3.933 20 0 EHADRM Cc1cc(N=c2[n-]nc(C3CC3)s2)cnc1N1CCCC[C@H]1C ZINC000503273440 1027699137 /nfs/dbraw/zinc/69/91/37/1027699137.db2.gz CRFNDFGNWWSYHM-GFCCVEGCSA-N -1 0 329.473 3.663 20 0 EHADRM Cc1cc(N=c2nc(C3CC3)[n-]s2)cnc1N1CCCC[C@H]1C ZINC000503285221 1027707266 /nfs/dbraw/zinc/70/72/66/1027707266.db2.gz XFJBHEBTNFTTDV-GFCCVEGCSA-N -1 0 329.473 3.663 20 0 EHADRM COCCOCc1cccc(-c2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC000582797151 1027747301 /nfs/dbraw/zinc/74/73/01/1027747301.db2.gz OADXNOKZPUYUGD-HNNXBMFYSA-N -1 0 328.408 3.780 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1ccc(-c2csc(C)n2)cc1)C(=O)[O-] ZINC000582823509 1027864221 /nfs/dbraw/zinc/86/42/21/1027864221.db2.gz MNYDEJSZARVVNF-BONVTDFDSA-N -1 0 347.440 3.739 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)C[C@@H]2CCc3ccccc32)cc1F ZINC000643429218 1027873275 /nfs/dbraw/zinc/87/32/75/1027873275.db2.gz LJDUQYPPKHYOOG-ZDUSSCGKSA-N -1 0 327.355 3.511 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)Cc2ccccc2Cl)s[n-]1 ZINC000472268544 1027900154 /nfs/dbraw/zinc/90/01/54/1027900154.db2.gz ORJCZHHDXDWPIB-UHFFFAOYSA-N -1 0 349.868 3.832 20 0 EHADRM O=c1nc(CN2CCC[C@H](CC(F)(F)F)C2)[n-]c2ccsc21 ZINC000420956399 1027920598 /nfs/dbraw/zinc/92/05/98/1027920598.db2.gz YCENKNAUTOMWOM-SECBINFHSA-N -1 0 331.363 3.561 20 0 EHADRM CC(C)(C)c1cccc2c1OCCN2C(=O)c1c([O-])cccc1F ZINC000444475296 1027948018 /nfs/dbraw/zinc/94/80/18/1027948018.db2.gz DZKRDIHSEJBURI-UHFFFAOYSA-N -1 0 329.371 3.868 20 0 EHADRM Cc1cc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])c(Cl)cc1F ZINC000237684652 1027993676 /nfs/dbraw/zinc/99/36/76/1027993676.db2.gz RSJNOTSHKMYSJV-NSHDSACASA-N -1 0 327.783 3.647 20 0 EHADRM COc1cc(C)c(-c2ccc([C@H](CC(=O)[O-])NC(C)=O)cc2)cc1C ZINC000582857704 1028036985 /nfs/dbraw/zinc/03/69/85/1028036985.db2.gz WXYBSMRWDIEJOI-SFHVURJKSA-N -1 0 341.407 3.631 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000237751802 1028104937 /nfs/dbraw/zinc/10/49/37/1028104937.db2.gz BXFBSQFPSYSMSZ-AWEZNQCLSA-N -1 0 329.396 3.909 20 0 EHADRM COc1cc(NC(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)cc(OC)c1 ZINC000523296901 1028117189 /nfs/dbraw/zinc/11/71/89/1028117189.db2.gz PPPRYXJYALMMQA-IBGZPJMESA-N -1 0 349.427 3.704 20 0 EHADRM Cc1ccc(CNC(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)c(C)c1 ZINC000523297784 1028120735 /nfs/dbraw/zinc/12/07/35/1028120735.db2.gz ODFCRKMTLFSAHT-FQEVSTJZSA-N -1 0 331.456 3.981 20 0 EHADRM O=S(=O)(NC[C@H]1CSc2ccccc21)c1cc2ccccc2o1 ZINC001211954578 1028125711 /nfs/dbraw/zinc/12/57/11/1028125711.db2.gz RKRHHAFKRUXLGC-ZDUSSCGKSA-N -1 0 345.445 3.601 20 0 EHADRM CO[C@H](C)c1nc(=N[C@@H](C)c2ccccc2C(F)(F)F)s[n-]1 ZINC000509544183 1028205218 /nfs/dbraw/zinc/20/52/18/1028205218.db2.gz QAAPFUDVFNBZHP-DTWKUNHWSA-N -1 0 331.363 3.859 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2ccc3nnc(C4CC4)n3c2)c1 ZINC001211962662 1028216083 /nfs/dbraw/zinc/21/60/83/1028216083.db2.gz KILBYOIJIUQQSQ-UHFFFAOYSA-N -1 0 328.759 3.702 20 0 EHADRM Cc1onc([N-]S(=O)(=O)c2c(C)sc3c2cccc3C)c1C ZINC000421251845 1028217784 /nfs/dbraw/zinc/21/77/84/1028217784.db2.gz RDPMVLCFWBMVKX-UHFFFAOYSA-N -1 0 336.438 3.924 20 0 EHADRM COc1ccc(-c2cc3[n-]c(-c4ncccn4)nc(=O)c3s2)cc1 ZINC000054754560 1028246712 /nfs/dbraw/zinc/24/67/12/1028246712.db2.gz HPVRGQUFMDMINU-UHFFFAOYSA-N -1 0 336.376 3.530 20 0 EHADRM Cc1ccc(F)c([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c1 ZINC000582920182 1028270971 /nfs/dbraw/zinc/27/09/71/1028270971.db2.gz KAGREAXTVHWAIB-UHFFFAOYSA-N -1 0 335.734 3.867 20 0 EHADRM Cc1cc(C)cc([C@@H](C)NC(=O)N=c2[n-]nc(C(C)(C)C)s2)c1 ZINC000504016318 1028334782 /nfs/dbraw/zinc/33/47/82/1028334782.db2.gz FKDBRZPUJUTFTC-GFCCVEGCSA-N -1 0 332.473 3.757 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ccccc2OCC(C)C)cc1 ZINC000614863575 1028362078 /nfs/dbraw/zinc/36/20/78/1028362078.db2.gz CWFIPOFUMIFOME-UHFFFAOYSA-N -1 0 335.425 3.531 20 0 EHADRM COC(=O)[C@H]1CCc2cc(Nc3cc(Cl)cc(C(=O)[O-])c3)ccc21 ZINC001211969542 1028439350 /nfs/dbraw/zinc/43/93/50/1028439350.db2.gz OPWSZXXJZSPORA-INIZCTEOSA-N -1 0 345.782 3.985 20 0 EHADRM CC1(C)CNC(=O)c2ccc(Nc3cc(Cl)cc(C(=O)[O-])c3)cc21 ZINC001211969598 1028439560 /nfs/dbraw/zinc/43/95/60/1028439560.db2.gz RKPAXUDTYGYYAN-UHFFFAOYSA-N -1 0 344.798 3.803 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000327303320 1028470141 /nfs/dbraw/zinc/47/01/41/1028470141.db2.gz RJZUEXUZXBFGDE-TWGQIWQCSA-N -1 0 349.308 3.984 20 0 EHADRM COCCCOc1cccc(/C=C/c2ncc(/C=C/C(=O)[O-])s2)c1 ZINC000079943527 1028482710 /nfs/dbraw/zinc/48/27/10/1028482710.db2.gz AFIQLFFWLNFJPQ-CDJQDVQCSA-N -1 0 345.420 3.827 20 0 EHADRM CC1(CC(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccccc2)CC1 ZINC000583001221 1028498094 /nfs/dbraw/zinc/49/80/94/1028498094.db2.gz IVCPRASUJXSCNP-UHFFFAOYSA-N -1 0 344.436 3.616 20 0 EHADRM CN(C(=O)N[C@@H]1CCCc2sccc21)[C@H](C(=O)[O-])c1ccccc1 ZINC000583002674 1028500025 /nfs/dbraw/zinc/50/00/25/1028500025.db2.gz VFJFIEWFWSMSFT-ZBFHGGJFSA-N -1 0 344.436 3.593 20 0 EHADRM O=S(=O)([N-]c1cc(F)c(F)c(F)c1)c1ccc(F)cc1Cl ZINC000033785822 1028529931 /nfs/dbraw/zinc/52/99/31/1028529931.db2.gz YGDZHHDUURNCFA-UHFFFAOYSA-N -1 0 339.697 3.697 20 0 EHADRM C[C@]1(c2ccccc2)CN(C(=O)c2cc(F)c([O-])c(Cl)c2)CCO1 ZINC000194840590 1028555097 /nfs/dbraw/zinc/55/50/97/1028555097.db2.gz MWROMQRSMJLZAA-GOSISDBHSA-N -1 0 349.789 3.573 20 0 EHADRM CC(C)(C)[C@@H]1CCc2sc(C(=O)N3CCC[C@@H]3C(=O)[O-])cc2C1 ZINC000236672013 1028561953 /nfs/dbraw/zinc/56/19/53/1028561953.db2.gz LMKPFKGJULQNGY-CHWSQXEVSA-N -1 0 335.469 3.588 20 0 EHADRM CC[C@@H](C)c1cc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)on1 ZINC000236888226 1028593399 /nfs/dbraw/zinc/59/33/99/1028593399.db2.gz RMQKAAMRZCMZAW-CQSZACIVSA-N -1 0 344.411 3.695 20 0 EHADRM CCC[C@@](C)(NC(=O)CSc1ccc2ccccc2c1)C(=O)[O-] ZINC000236953530 1028605463 /nfs/dbraw/zinc/60/54/63/1028605463.db2.gz AAIIFHXXRDWKCV-GOSISDBHSA-N -1 0 331.437 3.692 20 0 EHADRM [O-]c1ccc(-c2nc(Cc3c[nH]c4ncccc34)no2)cc1Cl ZINC000445233373 1028625159 /nfs/dbraw/zinc/62/51/59/1028625159.db2.gz KXJZNSACRXIZLH-UHFFFAOYSA-N -1 0 326.743 3.563 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2cc(C)cc3cccnc32)cc1 ZINC000074795443 1028632695 /nfs/dbraw/zinc/63/26/95/1028632695.db2.gz FTXBQGKJNQOWGP-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2cccc3ccc(C)nc32)cc1 ZINC000074858947 1028636918 /nfs/dbraw/zinc/63/69/18/1028636918.db2.gz UFOKWPOQZONDPZ-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N(C)Cc1ccccc1)C(=O)[O-] ZINC000237549271 1028656153 /nfs/dbraw/zinc/65/61/53/1028656153.db2.gz OJCPPZFJMMCTSU-ZDUSSCGKSA-N -1 0 329.421 3.524 20 0 EHADRM Cc1ccc(CCCC(=O)N[C@H](CC(=O)[O-])c2ccccc2C)cc1 ZINC000237697217 1028661223 /nfs/dbraw/zinc/66/12/23/1028661223.db2.gz OBBHEFBYFHUQRS-LJQANCHMSA-N -1 0 339.435 3.958 20 0 EHADRM C[C@@H](c1cc(Cl)ccc1Cl)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000583048667 1028665360 /nfs/dbraw/zinc/66/53/60/1028665360.db2.gz ZGEOPTSXKOQVGN-UWVGGRQHSA-N -1 0 341.242 3.758 20 0 EHADRM CC(C)(C)Oc1cccc(CN=c2[n-]nc(-c3ccccc3)s2)n1 ZINC000502778464 1028670955 /nfs/dbraw/zinc/67/09/55/1028670955.db2.gz HHYSIMAKJIOHBZ-UHFFFAOYSA-N -1 0 340.452 3.811 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000523845728 1028671563 /nfs/dbraw/zinc/67/15/63/1028671563.db2.gz FAECFTREDBAUHM-QZTJIDSGSA-N -1 0 329.403 3.671 20 0 EHADRM C[C@]1(O)CCCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])C1 ZINC000153799003 1028752307 /nfs/dbraw/zinc/75/23/07/1028752307.db2.gz PFEUYLRAYXGSBR-IBGZPJMESA-N -1 0 345.826 3.700 20 0 EHADRM CCCN=c1[n-]nc(S[C@H](C(=O)C2CC2)c2ccccc2)s1 ZINC000424086665 1028792225 /nfs/dbraw/zinc/79/22/25/1028792225.db2.gz GXFNQLOPHGATPM-AWEZNQCLSA-N -1 0 333.482 3.594 20 0 EHADRM Cc1cc(Cl)c2ccccc2c1NC(=O)[C@H](C)O[C@@H](C)C(=O)[O-] ZINC000421809327 1028796169 /nfs/dbraw/zinc/79/61/69/1028796169.db2.gz UZUDZBNNHAAVBM-QWRGUYRKSA-N -1 0 335.787 3.618 20 0 EHADRM O=C(Nc1cc(Br)cc(Cl)c1[O-])[C@@]12C[C@@H]1CCC2 ZINC000421789575 1028797186 /nfs/dbraw/zinc/79/71/86/1028797186.db2.gz BACTWPOYBQYETA-CPFSXVBKSA-N -1 0 330.609 3.937 20 0 EHADRM CCCOc1ccc(NC(=O)N(CC(=O)[O-])CC(C)C)cc1Cl ZINC000583102999 1028839386 /nfs/dbraw/zinc/83/93/86/1028839386.db2.gz OYSGICVEGOIWMY-UHFFFAOYSA-N -1 0 342.823 3.703 20 0 EHADRM CC[C@H](NC(=O)[C@@](C)(CC(=O)[O-])c1ccsc1)c1ccccc1F ZINC000634844605 1028897382 /nfs/dbraw/zinc/89/73/82/1028897382.db2.gz OCQFNLJFIPJFAG-YJBOKZPZSA-N -1 0 349.427 3.887 20 0 EHADRM CC[C@@](CC(=O)[O-])(C(=O)Nc1cc(O)ccc1C)c1ccc(C)cc1 ZINC000634849032 1028961763 /nfs/dbraw/zinc/96/17/63/1028961763.db2.gz RRVKWIDVCHESDS-FQEVSTJZSA-N -1 0 341.407 3.770 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)nc2)c(Cl)c1 ZINC000614878889 1029018342 /nfs/dbraw/zinc/01/83/42/1029018342.db2.gz VRFHWUNWDSUZBV-UHFFFAOYSA-N -1 0 340.832 3.631 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)C(=O)[O-] ZINC000424424656 1029047568 /nfs/dbraw/zinc/04/75/68/1029047568.db2.gz PGMBPYZVHPEMDV-ZFWWWQNUSA-N -1 0 346.427 3.882 20 0 EHADRM CC[C@H](Cc1ccccc1)N(CC)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424405591 1029052190 /nfs/dbraw/zinc/05/21/90/1029052190.db2.gz OUEUVLLNAOQMQQ-MRXNPFEDSA-N -1 0 334.460 3.540 20 0 EHADRM CCC(CC)(CNC(=O)N1CCCCC[C@H]1c1ccco1)C(=O)[O-] ZINC000424432723 1029074854 /nfs/dbraw/zinc/07/48/54/1029074854.db2.gz QPHZJECWSLRDSI-AWEZNQCLSA-N -1 0 336.432 3.797 20 0 EHADRM CC(C)c1ccc(OCC(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000236672849 1029187585 /nfs/dbraw/zinc/18/75/85/1029187585.db2.gz BEUPZKPMYKUIIN-HNNXBMFYSA-N -1 0 347.436 3.583 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)c(C(=O)[O-])c1 ZINC000544406933 1029208215 /nfs/dbraw/zinc/20/82/15/1029208215.db2.gz UGYLGUDWLGKKTN-STQMWFEESA-N -1 0 331.318 3.714 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)N2CC3(CCC3)[C@H]2c2ccco2)s[n-]1 ZINC000454718410 1029226952 /nfs/dbraw/zinc/22/69/52/1029226952.db2.gz ZFFKJCZIAUTOJV-GFCCVEGCSA-N -1 0 346.456 3.610 20 0 EHADRM CCC(CC)(CC(=O)NC1(c2nc(C)cs2)CCCC1)C(=O)[O-] ZINC000634884389 1029345269 /nfs/dbraw/zinc/34/52/69/1029345269.db2.gz ILCWXXVIXKVGPP-UHFFFAOYSA-N -1 0 338.473 3.618 20 0 EHADRM Cc1nc([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)oc1C ZINC000272180073 1029348935 /nfs/dbraw/zinc/34/89/35/1029348935.db2.gz SKMKMOZDGYLZPE-UHFFFAOYSA-N -1 0 335.212 3.707 20 0 EHADRM O=S(=O)([N-][C@@H](c1ccccc1)C(F)F)c1cc(Cl)ccc1F ZINC000431644342 1029368908 /nfs/dbraw/zinc/36/89/08/1029368908.db2.gz IKDUGEJPJHQUGD-ZDUSSCGKSA-N -1 0 349.761 3.764 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)Nc2cc(C(C)=O)ccc2[O-])c1 ZINC000272232200 1029372573 /nfs/dbraw/zinc/37/25/73/1029372573.db2.gz LXUPALOPDOGTSY-LBPRGKRZSA-N -1 0 327.380 3.736 20 0 EHADRM CCO[C@@H](CNC(=O)CC1(C(=O)[O-])CCCCCC1)c1ccccc1 ZINC000446062341 1029374171 /nfs/dbraw/zinc/37/41/71/1029374171.db2.gz NUJPBJGRDNJKNY-KRWDZBQOSA-N -1 0 347.455 3.696 20 0 EHADRM CC(=O)c1ccc(C(=O)[N-]c2nc(-c3ccc(C)s3)ns2)o1 ZINC000446076472 1029391939 /nfs/dbraw/zinc/39/19/39/1029391939.db2.gz BHCARLDYGWMRGS-UHFFFAOYSA-N -1 0 333.394 3.623 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC000272314404 1029410890 /nfs/dbraw/zinc/41/08/90/1029410890.db2.gz ZVGLWGBFOIOKBJ-RYUDHWBXSA-N -1 0 329.318 3.902 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)ccc2O)c1 ZINC000150855219 1029423223 /nfs/dbraw/zinc/42/32/23/1029423223.db2.gz HRCMCLUJFIBZKK-UHFFFAOYSA-N -1 0 348.207 3.508 20 0 EHADRM CCc1oc(C(=O)N(Cc2ccc(F)cc2F)C2CC2)cc1C(=O)[O-] ZINC000261599132 1029458538 /nfs/dbraw/zinc/45/85/38/1029458538.db2.gz ATWLGRKMIFRMIJ-UHFFFAOYSA-N -1 0 349.333 3.623 20 0 EHADRM CCc1oc(C(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2F)cc1C(=O)[O-] ZINC000261607971 1029460676 /nfs/dbraw/zinc/46/06/76/1029460676.db2.gz DYXCPZGUFYQUML-XHDPSFHLSA-N -1 0 345.370 3.903 20 0 EHADRM CCc1oc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)cc1C(=O)[O-] ZINC000261684510 1029483148 /nfs/dbraw/zinc/48/31/48/1029483148.db2.gz QWIWUIXTAPWRHG-GXTWGEPZSA-N -1 0 327.380 3.558 20 0 EHADRM CC[C@H]1C[C@]1(NC(=O)N=c1ccc(C2CC2)n[n-]1)c1cccc(C)c1 ZINC000505377890 1029497645 /nfs/dbraw/zinc/49/76/45/1029497645.db2.gz UWMVIHDHDQIADJ-MGPUTAFESA-N -1 0 336.439 3.531 20 0 EHADRM COCCN(C(=O)c1cccc(C(F)(F)F)c1[O-])[C@H]1CC[C@@H](C)C1 ZINC000583272902 1029501449 /nfs/dbraw/zinc/50/14/49/1029501449.db2.gz YNPGGQNAOFUJGD-NEPJUHHUSA-N -1 0 345.361 3.688 20 0 EHADRM COc1cccc([C@H](C)C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000262468422 1029596047 /nfs/dbraw/zinc/59/60/47/1029596047.db2.gz GMLSRNYDNQIJNW-ZDUSSCGKSA-N -1 0 327.380 3.752 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)N=c2ccc(C3CC3)n[n-]2)cc1C ZINC000533307137 1029608917 /nfs/dbraw/zinc/60/89/17/1029608917.db2.gz ZADJQARYCALYDR-SFHVURJKSA-N -1 0 336.439 3.762 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)N[C@H]1CCc2ccc(F)cc21 ZINC000533307899 1029610582 /nfs/dbraw/zinc/61/05/82/1029610582.db2.gz ZIKNLGWFHDYWOC-SFHVURJKSA-N -1 0 348.381 3.514 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N2CC3(CCCC3)[C@@H]2C(C)C)s1 ZINC000583304961 1029611676 /nfs/dbraw/zinc/61/16/76/1029611676.db2.gz GZPHZUMJICPEJX-NSHDSACASA-N -1 0 340.518 3.505 20 0 EHADRM CCOc1ccccc1N=c1[n-]nc(SCC(=O)C2(C)CC2)s1 ZINC000475963267 1029619883 /nfs/dbraw/zinc/61/98/83/1029619883.db2.gz XADQLGJWESZQEU-UHFFFAOYSA-N -1 0 349.481 3.564 20 0 EHADRM CC(C)CC[C@@H]1CCCN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000155697397 1029623495 /nfs/dbraw/zinc/62/34/95/1029623495.db2.gz ZYMYHFZAOMATJZ-HNNXBMFYSA-N -1 0 327.428 3.619 20 0 EHADRM C[C@H](CC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC000262700168 1029624651 /nfs/dbraw/zinc/62/46/51/1029624651.db2.gz HOXQDORKFGLXRO-QKCSRTOESA-N -1 0 343.345 3.569 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000262810063 1029639054 /nfs/dbraw/zinc/63/90/54/1029639054.db2.gz DHQMPCLRTSELRW-QRQLOZEOSA-N -1 0 343.467 3.920 20 0 EHADRM CCCCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2OC)cc1 ZINC000262889356 1029647649 /nfs/dbraw/zinc/64/76/49/1029647649.db2.gz HTNQOMCIZJBQHD-UHFFFAOYSA-N -1 0 343.379 3.825 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)cc1 ZINC000262877761 1029647680 /nfs/dbraw/zinc/64/76/80/1029647680.db2.gz BOJYLYGQHMCJJT-OCCSQVGLSA-N -1 0 329.421 3.659 20 0 EHADRM CC(C)c1ccc([C@@H]2CCCCN2C(=O)CSCC(=O)[O-])cc1 ZINC000262898356 1029649272 /nfs/dbraw/zinc/64/92/72/1029649272.db2.gz HYHNQGGLXJUTER-INIZCTEOSA-N -1 0 335.469 3.681 20 0 EHADRM Cc1cc(CCCC(=O)N[C@](C)(CC(=O)[O-])C(C)C)c(C)s1 ZINC000262997072 1029655706 /nfs/dbraw/zinc/65/57/06/1029655706.db2.gz OOCAHZYUQUOYBI-QGZVFWFLSA-N -1 0 325.474 3.693 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2cccc(OC3CCCC3)c2)C1 ZINC000263029903 1029657705 /nfs/dbraw/zinc/65/77/05/1029657705.db2.gz BBUXTRNKDOPPGC-KGLIPLIRSA-N -1 0 346.427 3.583 20 0 EHADRM COc1cc(C)c(NC(=O)Nc2cccc(CCC(=O)[O-])c2)cc1C ZINC000263063639 1029663361 /nfs/dbraw/zinc/66/33/61/1029663361.db2.gz OVNLEQRUEPEUGC-UHFFFAOYSA-N -1 0 342.395 3.973 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000263068954 1029663376 /nfs/dbraw/zinc/66/33/76/1029663376.db2.gz SVUDRATYOHXZTF-MRXNPFEDSA-N -1 0 341.860 3.779 20 0 EHADRM Cc1nc(-c2ccccc2)sc1NC(=O)NC(C)(C)CCC(=O)[O-] ZINC000263112825 1029667459 /nfs/dbraw/zinc/66/74/59/1029667459.db2.gz VUYQZNRMUUVKMR-UHFFFAOYSA-N -1 0 347.440 3.883 20 0 EHADRM CCC[C@@H](CNC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000263166820 1029670397 /nfs/dbraw/zinc/67/03/97/1029670397.db2.gz KFHDTBCKJRUGOI-YPMHNXCESA-N -1 0 345.361 3.816 20 0 EHADRM CCC[C@H](CNC(=O)c1c(C)c(C)oc1-c1ccccc1)C(=O)[O-] ZINC000263175365 1029671001 /nfs/dbraw/zinc/67/10/01/1029671001.db2.gz LBZMUUUYEDTGDH-OAHLLOKOSA-N -1 0 329.396 3.794 20 0 EHADRM CCC[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000263169399 1029671741 /nfs/dbraw/zinc/67/17/41/1029671741.db2.gz KLRWNOYZGNXFSH-OWYVNGRQSA-N -1 0 344.238 3.714 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000263211614 1029674688 /nfs/dbraw/zinc/67/46/88/1029674688.db2.gz LNEKZUJIXWPNQV-ZJUUUORDSA-N -1 0 327.833 3.891 20 0 EHADRM CC[C@@]1(C)C[C@@H]1C(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC000263246993 1029680122 /nfs/dbraw/zinc/68/01/22/1029680122.db2.gz UTODGUABYZBJMU-ACJLOTCBSA-N -1 0 344.436 3.561 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1 ZINC000263354317 1029690200 /nfs/dbraw/zinc/69/02/00/1029690200.db2.gz QLPQFNPWGOLSRW-IIDMSEBBSA-N -1 0 331.456 3.873 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N2CCCC[C@H]2c2ccccc2)cc1 ZINC000263353349 1029690535 /nfs/dbraw/zinc/69/05/35/1029690535.db2.gz IHMRRYQGSHCATF-SFHVURJKSA-N -1 0 338.407 3.822 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000263367874 1029692198 /nfs/dbraw/zinc/69/21/98/1029692198.db2.gz WSQBHVHAUNJULE-FZKQIMNGSA-N -1 0 341.382 3.676 20 0 EHADRM CCc1c(C)sc(NC(=O)CC[C@H]2CC[C@H](C)O2)c1C(=O)[O-] ZINC000263401022 1029694758 /nfs/dbraw/zinc/69/47/58/1029694758.db2.gz FFRHYWITJGAVKM-GXSJLCMTSA-N -1 0 325.430 3.603 20 0 EHADRM O=C([O-])c1ccnc(C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)c1 ZINC000263418258 1029696324 /nfs/dbraw/zinc/69/63/24/1029696324.db2.gz OPUBEFKGJKBWKR-SFHVURJKSA-N -1 0 349.390 3.629 20 0 EHADRM CCC(CC)n1ncc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1C ZINC000263472932 1029702679 /nfs/dbraw/zinc/70/26/79/1029702679.db2.gz YMJYBNPMRKLJDH-HNNXBMFYSA-N -1 0 337.464 3.562 20 0 EHADRM CC(C)COc1ccccc1CN[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000583381577 1029737961 /nfs/dbraw/zinc/73/79/61/1029737961.db2.gz QWCVMMHJXQGVNK-LBPRGKRZSA-N -1 0 334.441 3.727 20 0 EHADRM CCOc1cccc2cc([C@H](C)N=c3nc([C@@H](C)OC)[n-]s3)oc21 ZINC000509687789 1029768421 /nfs/dbraw/zinc/76/84/21/1029768421.db2.gz XWOIMORPGOQJHQ-WDEREUQCSA-N -1 0 347.440 3.985 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)Nc1ccc(F)c(C(F)(F)F)c1)C1CC1 ZINC000583419285 1029799672 /nfs/dbraw/zinc/79/96/72/1029799672.db2.gz SNHCXAWMLCTWCC-GFCCVEGCSA-N -1 0 348.296 3.704 20 0 EHADRM Cc1n[n-]c(=NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)s1 ZINC000525358854 1029809064 /nfs/dbraw/zinc/80/90/64/1029809064.db2.gz SMIUBVWMCRTVHA-INIZCTEOSA-N -1 0 334.448 3.994 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccoc2C2CC2)cc1 ZINC000583443359 1029839080 /nfs/dbraw/zinc/83/90/80/1029839080.db2.gz KARVUMRRZWLCJS-HNNXBMFYSA-N -1 0 345.420 3.825 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N2C[C@H](C)C[C@H]2C)s1)c1ccccc1 ZINC000525413456 1029841585 /nfs/dbraw/zinc/84/15/85/1029841585.db2.gz GADVYPXEBZWECY-UMVBOHGHSA-N -1 0 344.484 3.764 20 0 EHADRM Cc1ccc(-c2n[n-]c(=NCc3cc(C)c4ncccc4c3)o2)s1 ZINC000446966779 1029868233 /nfs/dbraw/zinc/86/82/33/1029868233.db2.gz ONWICVJVXDQJFC-UHFFFAOYSA-N -1 0 336.420 3.997 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000525531955 1029889495 /nfs/dbraw/zinc/88/94/95/1029889495.db2.gz SFZJFQVWSBIIED-UHFFFAOYSA-N -1 0 332.244 3.620 20 0 EHADRM CC1(C)CC[C@H](N=c2[n-]nc(-c3ccon3)s2)c2ccccc21 ZINC000555925591 1029944646 /nfs/dbraw/zinc/94/46/46/1029944646.db2.gz UNECHVFAIKPVPF-ZDUSSCGKSA-N -1 0 326.425 3.840 20 0 EHADRM CO[C@H](C)c1nc(=N[C@@H](C)c2cccc(C(F)(F)F)c2)s[n-]1 ZINC000509694955 1029967168 /nfs/dbraw/zinc/96/71/68/1029967168.db2.gz VXJZQBNYJISBOJ-DTWKUNHWSA-N -1 0 331.363 3.859 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3ncc[nH]3)cc2)c1 ZINC000120350009 1029968699 /nfs/dbraw/zinc/96/86/99/1029968699.db2.gz BRMAPICBTDBWAZ-UHFFFAOYSA-N -1 0 347.827 3.839 20 0 EHADRM CCc1ccc(S(=O)(=O)Nc2ccc(C)c3ncccc23)cc1 ZINC000481845997 1030039034 /nfs/dbraw/zinc/03/90/34/1030039034.db2.gz ISKSKZMUJPTPBF-UHFFFAOYSA-N -1 0 326.421 3.906 20 0 EHADRM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1c(C)nn(CC)c1C ZINC000481865053 1030057485 /nfs/dbraw/zinc/05/74/85/1030057485.db2.gz HMBXHKNEMYTCHK-UHFFFAOYSA-N -1 0 349.500 3.754 20 0 EHADRM N=c1[n-]nc(SCCc2cc(Cl)ccc2Cl)n1C1CC1 ZINC000447294540 1030076740 /nfs/dbraw/zinc/07/67/40/1030076740.db2.gz IGUMUXJYFPLQRM-UHFFFAOYSA-N -1 0 329.256 3.667 20 0 EHADRM O=S(=O)([N-]c1ccc(C(F)(F)F)nc1)c1cccc(Cl)c1 ZINC000090166996 1030078789 /nfs/dbraw/zinc/07/87/89/1030078789.db2.gz LJIUXVWMLRJSGJ-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM COc1ccc(C(=O)Nc2cc(C(C)=O)ccc2[O-])cc1C1CC1 ZINC000278318493 1030139045 /nfs/dbraw/zinc/13/90/45/1030139045.db2.gz CZGWTSVVBDMAEB-UHFFFAOYSA-N -1 0 325.364 3.733 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)cc1F ZINC000120902038 1030145830 /nfs/dbraw/zinc/14/58/30/1030145830.db2.gz HYAJOYZEJIJEEH-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nc(C(C)(C)C)co2)cc1Cl ZINC000550791235 1030149149 /nfs/dbraw/zinc/14/91/49/1030149149.db2.gz BACZZVUMKDVTBK-UHFFFAOYSA-N -1 0 328.821 3.735 20 0 EHADRM CC(C)(C)c1nc(=N[C@@H]2CCCc3cn(C4CCCC4)nc32)[n-]o1 ZINC000525832561 1030176699 /nfs/dbraw/zinc/17/66/99/1030176699.db2.gz NNZLXYMQCKTSRF-CQSZACIVSA-N -1 0 329.448 3.590 20 0 EHADRM CCSCc1ccnc([N-]S(=O)(=O)c2cc(C)c(C)s2)c1 ZINC000091052993 1030212849 /nfs/dbraw/zinc/21/28/49/1030212849.db2.gz KQQIABSDBFNMLE-UHFFFAOYSA-N -1 0 342.511 3.814 20 0 EHADRM C[C@@H](CNS(=O)(=O)c1ccc(C(C)(C)C)s1)C(F)(F)F ZINC000476565189 1030225045 /nfs/dbraw/zinc/22/50/45/1030225045.db2.gz BSUAWVVIOQCUEJ-QMMMGPOBSA-N -1 0 329.409 3.522 20 0 EHADRM CN(C)c1cccc(CCC(=O)Nc2cc(F)cc(Cl)c2[O-])c1 ZINC000525927586 1030231179 /nfs/dbraw/zinc/23/11/79/1030231179.db2.gz YAYYFSAAYPDQOI-UHFFFAOYSA-N -1 0 336.794 3.822 20 0 EHADRM CCc1ccc(CC)c([N-]S(=O)(=O)c2sccc2OC)c1 ZINC000121790389 1030337238 /nfs/dbraw/zinc/33/72/38/1030337238.db2.gz BMJFVGUINZPHOJ-UHFFFAOYSA-N -1 0 325.455 3.682 20 0 EHADRM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)N=c2cc(C)c(C)n[n-]2)cc1 ZINC000532070600 1030360469 /nfs/dbraw/zinc/36/04/69/1030360469.db2.gz NEGZHZXXZCBEGU-ZWKOTPCHSA-N -1 0 338.455 3.624 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2nc(C(C)C)cs2)cc1C ZINC000615169000 1030424443 /nfs/dbraw/zinc/42/44/43/1030424443.db2.gz CRTSWDIBWKQPPC-UHFFFAOYSA-N -1 0 340.470 3.693 20 0 EHADRM O=C(c1cccc(Br)c1[O-])N1CCCC2(CCCC2)C1 ZINC000526127440 1030451499 /nfs/dbraw/zinc/45/14/99/1030451499.db2.gz KOQNVETYPHUPJX-UHFFFAOYSA-N -1 0 338.245 3.951 20 0 EHADRM Cc1ccc(Nc2ccnn2Cc2ccccc2F)cc1C(=O)[O-] ZINC001211594547 1030499539 /nfs/dbraw/zinc/49/95/39/1030499539.db2.gz ZBEPZFJVJCCGDI-UHFFFAOYSA-N -1 0 325.343 3.821 20 0 EHADRM CC[C@]1(C)CCCN(C(=O)N=c2[n-]nc(/C=C\c3ccco3)s2)C1 ZINC000343384781 1030615048 /nfs/dbraw/zinc/61/50/48/1030615048.db2.gz BAHZPUXUWZAAFZ-ZPUOCTKUSA-N -1 0 346.456 3.767 20 0 EHADRM CCSc1n[n-]c(=NCc2ccc(OC)c3ccccc23)s1 ZINC000447956973 1030626737 /nfs/dbraw/zinc/62/67/37/1030626737.db2.gz XQBACCGDVAGACK-UHFFFAOYSA-N -1 0 331.466 3.846 20 0 EHADRM Cc1cccc(Oc2ccccc2[N-]S(=O)(=O)CCOC(C)C)c1 ZINC000482683957 1030639305 /nfs/dbraw/zinc/63/93/05/1030639305.db2.gz ZVIKXEAGKKHWRV-UHFFFAOYSA-N -1 0 349.452 3.954 20 0 EHADRM O=C(c1cc(=O)[nH][n-]1)N(Cc1cccc2ccccc21)C1CCCC1 ZINC000668114819 1030689726 /nfs/dbraw/zinc/68/97/26/1030689726.db2.gz FRZCEWKTYJZVQL-UHFFFAOYSA-N -1 0 335.407 3.854 20 0 EHADRM C[C@@H]1CCC(C)(C)N1C(=O)N=c1[n-]nc(/C=C/c2ccco2)s1 ZINC000639898210 1030689895 /nfs/dbraw/zinc/68/98/95/1030689895.db2.gz YPVXWNORPGLWLA-XUIVZRPNSA-N -1 0 332.429 3.518 20 0 EHADRM CSc1nc(=NC(=O)N[C@H](C)c2oc3ccccc3c2C)s[n-]1 ZINC000476615738 1030730879 /nfs/dbraw/zinc/73/08/79/1030730879.db2.gz GDYOBKZJXJDVAU-SECBINFHSA-N -1 0 348.453 3.619 20 0 EHADRM CCOc1cc([N-]S(=O)(=O)c2ccccc2Cl)ccc1C ZINC000550874402 1030768062 /nfs/dbraw/zinc/76/80/62/1030768062.db2.gz RUTDRMKWJXPTGD-UHFFFAOYSA-N -1 0 325.817 3.848 20 0 EHADRM CC[C@H](Cc1ccccc1)N(CC)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000448157503 1030779468 /nfs/dbraw/zinc/77/94/68/1030779468.db2.gz SBEIWMOZDKDNFF-QGZVFWFLSA-N -1 0 338.455 3.651 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(c2noc(-c3ccccc3)n2)CC1 ZINC000668168648 1030832853 /nfs/dbraw/zinc/83/28/53/1030832853.db2.gz OWPCNYHOYCKJSQ-UHFFFAOYSA-N -1 0 349.390 3.819 20 0 EHADRM Cc1ccc(Nc2c(C)c(Br)c[nH]c2=O)cc1C(=O)[O-] ZINC001211599824 1030869810 /nfs/dbraw/zinc/86/98/10/1030869810.db2.gz XJUTZZYTPUOMCM-UHFFFAOYSA-N -1 0 337.173 3.608 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)CC2CCC(C)(C)CC2)sc1C(=O)[O-] ZINC000262858802 1030931693 /nfs/dbraw/zinc/93/16/93/1030931693.db2.gz VDQGWILFUDWWQT-LLVKDONJSA-N -1 0 338.473 3.933 20 0 EHADRM CCOc1ccccc1-c1cccc(C(=O)NC[C@@H](C)CC(=O)[O-])c1 ZINC000262852159 1030933715 /nfs/dbraw/zinc/93/37/15/1030933715.db2.gz BZWMSVFBEVFZIL-AWEZNQCLSA-N -1 0 341.407 3.593 20 0 EHADRM C[C@@H](CN(C)C(=O)N=c1ccc(-c2ccccc2)n[n-]1)c1ccccc1 ZINC000448352122 1030999953 /nfs/dbraw/zinc/99/99/53/1030999953.db2.gz CBFGKJKEUCXZFS-INIZCTEOSA-N -1 0 346.434 3.833 20 0 EHADRM CC(C)N(C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-])C1CCCC1 ZINC000668222879 1031036879 /nfs/dbraw/zinc/03/68/79/1031036879.db2.gz OFEHQXSXZNDDPG-UHFFFAOYSA-N -1 0 349.381 3.649 20 0 EHADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C)c1 ZINC000583904097 1031087711 /nfs/dbraw/zinc/08/77/11/1031087711.db2.gz BGNBCFWOBUEOMC-UHFFFAOYSA-N -1 0 345.342 3.823 20 0 EHADRM CC(C)C[C@@H]1C[C@@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)CCO1 ZINC000278492652 1031100717 /nfs/dbraw/zinc/10/07/17/1031100717.db2.gz KAVFAXYLTSOFHQ-NWDGAFQWSA-N -1 0 329.799 3.508 20 0 EHADRM C=Cc1ccc(C(=O)N=c2[n-]nc(Cc3ccccc3F)s2)cc1 ZINC000551207215 1031129370 /nfs/dbraw/zinc/12/93/70/1031129370.db2.gz UDTRBVBRUGEHTC-UHFFFAOYSA-N -1 0 339.395 3.585 20 0 EHADRM C[C@@H](C(=O)N=c1cc(C(F)(F)F)[n-][nH]1)c1ccc2ccccc2c1 ZINC000448513503 1031158539 /nfs/dbraw/zinc/15/85/39/1031158539.db2.gz GUASHRJLBJDHAA-SNVBAGLBSA-N -1 0 333.313 3.746 20 0 EHADRM CCCc1nc(=NC(=O)CCSc2ccccc2Cl)s[n-]1 ZINC000551257044 1031163793 /nfs/dbraw/zinc/16/37/93/1031163793.db2.gz PTLNJVXEDMJKKX-UHFFFAOYSA-N -1 0 341.889 3.687 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)N=c1cc(C(F)(F)F)[n-][nH]1 ZINC000448517543 1031167454 /nfs/dbraw/zinc/16/74/54/1031167454.db2.gz RZPBNUGYTXMQNB-ZETCQYMHSA-N -1 0 349.765 3.623 20 0 EHADRM CC[C@@H](C)c1cc(C(=O)N=c2cc(-c3cccc(F)c3)o[nH]2)on1 ZINC000448538432 1031184012 /nfs/dbraw/zinc/18/40/12/1031184012.db2.gz NYMUMDSROORKSG-SNVBAGLBSA-N -1 0 329.331 3.656 20 0 EHADRM CCCc1csc(CN=c2[n-]nc(-c3ccc4c(c3)CCC4)o2)n1 ZINC000551335695 1031232310 /nfs/dbraw/zinc/23/23/10/1031232310.db2.gz HRIVXNCOEOZHGS-UHFFFAOYSA-N -1 0 340.452 3.668 20 0 EHADRM COc1ccc(C(=O)[O-])cc1NCc1cc(Cl)cc2c1OCC2 ZINC000551422835 1031318038 /nfs/dbraw/zinc/31/80/38/1031318038.db2.gz KBQCFIZYNHIYFV-UHFFFAOYSA-N -1 0 333.771 3.594 20 0 EHADRM CCOc1ccccc1[N-]S(=O)(=O)c1c(C)n(C)c2ccccc21 ZINC000551477792 1031375264 /nfs/dbraw/zinc/37/52/64/1031375264.db2.gz UCHRWOBRWIDVGK-UHFFFAOYSA-N -1 0 344.436 3.686 20 0 EHADRM CC1=C(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)CCC(C)(C)C1 ZINC000448635620 1031402947 /nfs/dbraw/zinc/40/29/47/1031402947.db2.gz RIHZJCLUORCZEK-UHFFFAOYSA-N -1 0 345.468 3.882 20 0 EHADRM CO[C@](C)(C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1)c1ccccc1F ZINC000668293323 1031411707 /nfs/dbraw/zinc/41/17/07/1031411707.db2.gz XYROGBIYKKGARK-BLVKFPJESA-N -1 0 345.370 3.514 20 0 EHADRM Cc1cc(F)cc([N-]S(=O)(=O)c2c(C)ccc3cccnc32)c1 ZINC000477288620 1031415728 /nfs/dbraw/zinc/41/57/28/1031415728.db2.gz HUASTVFSQCRAQS-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM O=C([N-]OCC(F)F)[C@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC000760155746 1031426365 /nfs/dbraw/zinc/42/63/65/1031426365.db2.gz HVIHBILYQUWJLN-OAHLLOKOSA-N -1 0 341.741 3.773 20 0 EHADRM CCc1ncsc1[N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000161982058 1031449652 /nfs/dbraw/zinc/44/96/52/1031449652.db2.gz DHLSYWKVBBTQCU-BQYQJAHWSA-N -1 0 328.846 3.772 20 0 EHADRM O=S(=O)([N-]c1csc2ccccc12)c1cccc(F)c1F ZINC000484139418 1031464296 /nfs/dbraw/zinc/46/42/96/1031464296.db2.gz KJIGAOZNJUSWKX-UHFFFAOYSA-N -1 0 325.361 3.980 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)NC(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000668318471 1031468608 /nfs/dbraw/zinc/46/86/08/1031468608.db2.gz OEAJRJNLPBZNPV-LLVKDONJSA-N -1 0 345.361 3.644 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OC(C)C)s1 ZINC000484137761 1031478201 /nfs/dbraw/zinc/47/82/01/1031478201.db2.gz HNACLLAVTNXQAI-UHFFFAOYSA-N -1 0 329.418 3.784 20 0 EHADRM Cc1ccccc1O[C@H](C)CNC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000194766470 1031485706 /nfs/dbraw/zinc/48/57/06/1031485706.db2.gz KMQKXRSPLDKGKG-LLVKDONJSA-N -1 0 337.778 3.690 20 0 EHADRM CCOC(=O)c1ccc(NC(=O)c2ccccc2SCC)c(O)c1 ZINC000536198822 1031503630 /nfs/dbraw/zinc/50/36/30/1031503630.db2.gz SEYYGZDRKRODQK-UHFFFAOYSA-N -1 0 345.420 3.933 20 0 EHADRM CC[C@@H](C)c1nnc([C@H](C)N=c2nc(-c3ccccc3C)[n-]s2)[nH]1 ZINC000527977124 1031512043 /nfs/dbraw/zinc/51/20/43/1031512043.db2.gz DAJBIOBLMNPZOK-PWSUYJOCSA-N -1 0 342.472 3.740 20 0 EHADRM CC(C)c1c[nH]c(CN[C@]2(C(=O)[O-])C[C@@H](C(C)C)c3ccccc32)n1 ZINC000904010923 1031628922 /nfs/dbraw/zinc/62/89/22/1031628922.db2.gz SUMJSTKWZRJSKD-MGPUTAFESA-N -1 0 341.455 3.746 20 0 EHADRM COc1ccc(-c2nc(CN[C@@H](CC=C(C)C)C(=O)[O-])cs2)cc1 ZINC000904029992 1031636973 /nfs/dbraw/zinc/63/69/73/1031636973.db2.gz BGTUOYFNQHOHQQ-INIZCTEOSA-N -1 0 346.452 3.718 20 0 EHADRM CC[C@@H](NCc1ccc(OC)c(C(C)(C)C)c1)c1nc(C(=O)[O-])c[nH]1 ZINC000904064296 1031689221 /nfs/dbraw/zinc/68/92/21/1031689221.db2.gz IBMKOBRTIYLNQW-CQSZACIVSA-N -1 0 345.443 3.655 20 0 EHADRM CC[C@H](NCc1ccc(F)cc1C(F)(F)F)c1nc(C(=O)[O-])c[nH]1 ZINC000904066182 1031691905 /nfs/dbraw/zinc/69/19/05/1031691905.db2.gz ZQZOIHYLEOQZGH-NSHDSACASA-N -1 0 345.296 3.507 20 0 EHADRM Cc1ccc(CN[C@@H](C(=O)[O-])c2csc(Br)c2)s1 ZINC000904072149 1031701631 /nfs/dbraw/zinc/70/16/31/1031701631.db2.gz UYXQYONYGHHAOS-LLVKDONJSA-N -1 0 346.271 3.796 20 0 EHADRM Cc1ccc(C(=O)[C@@H](Sc2n[nH]c(=O)[n-]2)c2ccc(C)cc2)cc1 ZINC000484562549 1031740107 /nfs/dbraw/zinc/74/01/07/1031740107.db2.gz LPFVKNFCNZLRJT-INIZCTEOSA-N -1 0 339.420 3.843 20 0 EHADRM CCSc1cccc(CNC(=O)c2s[n-]c(=O)c2Cl)c1 ZINC000343643501 1031757727 /nfs/dbraw/zinc/75/77/27/1031757727.db2.gz DWWOAYLUFLFCQS-UHFFFAOYSA-N -1 0 328.846 3.544 20 0 EHADRM O=C([O-])N[C@H]1C[C@H](Nc2ccc(OC(F)F)c(Cl)c2)C12CCC2 ZINC000904194413 1031840412 /nfs/dbraw/zinc/84/04/12/1031840412.db2.gz FKKGZMBKDTVALX-RYUDHWBXSA-N -1 0 346.761 3.932 20 0 EHADRM Cc1ccc(NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)cc1F ZINC000904194448 1031840584 /nfs/dbraw/zinc/84/05/84/1031840584.db2.gz GUAOWMFSQAOADR-UHFFFAOYSA-N -1 0 332.375 3.640 20 0 EHADRM O=C([O-])N[C@@H]1C[C@H](Nc2cccc(OC(F)(F)F)c2)C12CCC2 ZINC000904195965 1031842015 /nfs/dbraw/zinc/84/20/15/1031842015.db2.gz ZCBNAKUKUABTSV-NWDGAFQWSA-N -1 0 330.306 3.576 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2cn(-c3ccccc3)nc2C)c1 ZINC000180354826 1031842845 /nfs/dbraw/zinc/84/28/45/1031842845.db2.gz YKWIBWLMNWDNEU-UHFFFAOYSA-N -1 0 341.436 3.544 20 0 EHADRM O=C([O-])N[C@@H]1C[C@@H](Nc2ccc(OC(F)(F)F)cc2)C12CCC2 ZINC000904194461 1031843112 /nfs/dbraw/zinc/84/31/12/1031843112.db2.gz HECUCCQLOBEQPF-VXGBXAGGSA-N -1 0 330.306 3.576 20 0 EHADRM O=C([O-])N[C@H]1C[C@H](Nc2ccc(F)cc2OCC2CC2)C12CCC2 ZINC000904199341 1031845177 /nfs/dbraw/zinc/84/51/77/1031845177.db2.gz PJDDCLJUHOKPFI-HOTGVXAUSA-N -1 0 334.391 3.605 20 0 EHADRM CC1CCN(c2cccc(N[C@@H]3C[C@H](NC(=O)[O-])C34CCC4)c2)CC1 ZINC000904198539 1031845954 /nfs/dbraw/zinc/84/59/54/1031845954.db2.gz ACUGHNOWBMKMCE-MSOLQXFVSA-N -1 0 343.471 3.914 20 0 EHADRM O=C([O-])N[C@@H]1C[C@H](Nc2cccc(N3CCCCC3)c2)C12CCC2 ZINC000904199684 1031847630 /nfs/dbraw/zinc/84/76/30/1031847630.db2.gz RKZHPZWYKRVZKE-DLBZAZTESA-N -1 0 329.444 3.668 20 0 EHADRM O=C(Nc1cccc(-c2ncco2)c1)c1cc(F)c(F)c([O-])c1F ZINC000180190529 1031863781 /nfs/dbraw/zinc/86/37/81/1031863781.db2.gz WYOHAVDZUCPWKO-UHFFFAOYSA-N -1 0 334.253 3.717 20 0 EHADRM Oc1ccc(-c2noc(/C=C\c3cnc4ccccc4n3)n2)c(F)c1 ZINC000445459547 1031914204 /nfs/dbraw/zinc/91/42/04/1031914204.db2.gz CSNCKOFQDWQUIA-YVMONPNESA-N -1 0 334.310 3.695 20 0 EHADRM C[C@@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1cccc(F)c1F ZINC000195030440 1031968018 /nfs/dbraw/zinc/96/80/18/1031968018.db2.gz FHZQBWOOYYWMRE-SSDOTTSWSA-N -1 0 329.705 3.954 20 0 EHADRM CC(C)c1ccsc1C(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1 ZINC000448992778 1032001630 /nfs/dbraw/zinc/00/16/30/1032001630.db2.gz LPKZVSHBVKREBT-HOTGVXAUSA-N -1 0 343.448 3.812 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(OC3CCCCC3)cc2)CC[C@@H]1C(=O)[O-] ZINC000448999814 1032007911 /nfs/dbraw/zinc/00/79/11/1032007911.db2.gz IXPBFXRIBYHZKM-KDOFPFPSSA-N -1 0 345.439 3.581 20 0 EHADRM COc1ccc([C@H](N=c2nc(-c3ccccc3)[n-]s2)C2CC2)cn1 ZINC000528286046 1032008298 /nfs/dbraw/zinc/00/82/98/1032008298.db2.gz KEERBAFGIWYLAK-MRXNPFEDSA-N -1 0 338.436 3.594 20 0 EHADRM C[C@H]1C[C@H]1c1nc(=O)c2sc(-c3ccc4c(c3)OCCO4)cc2[n-]1 ZINC000608102989 1033496011 /nfs/dbraw/zinc/49/60/11/1033496011.db2.gz UWDFVCMQDXMJMI-GXSJLCMTSA-N -1 0 340.404 3.546 20 0 EHADRM C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(Br)cc1[O-] ZINC000044490378 1033497128 /nfs/dbraw/zinc/49/71/28/1033497128.db2.gz KJYVYODNSKHYGX-SNVBAGLBSA-N -1 0 332.197 3.746 20 0 EHADRM O=C(c1ccc(Br)cc1[O-])N1CCCc2ccccc21 ZINC000044490412 1033497546 /nfs/dbraw/zinc/49/75/46/1033497546.db2.gz HBKDHHNIUZPGQE-UHFFFAOYSA-N -1 0 332.197 3.748 20 0 EHADRM C[C@H](NC(=O)CCCc1cccs1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000455954674 1033614553 /nfs/dbraw/zinc/61/45/53/1033614553.db2.gz STLBZROKGANNGV-WMLDXEAASA-N -1 0 345.464 3.519 20 0 EHADRM C[C@@H](NC(=O)CCCc1cccs1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000455954673 1033614720 /nfs/dbraw/zinc/61/47/20/1033614720.db2.gz STLBZROKGANNGV-RHSMWYFYSA-N -1 0 345.464 3.519 20 0 EHADRM CC1(C)CN(C(=O)c2nn(-c3ccccc3)cc2[O-])[C@@H]1c1ccccc1 ZINC000608355160 1033628263 /nfs/dbraw/zinc/62/82/63/1033628263.db2.gz SDBYMPIXXGTMDT-LJQANCHMSA-N -1 0 347.418 3.801 20 0 EHADRM C[C@@H]1C[C@H]1[C@@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000608340533 1033644636 /nfs/dbraw/zinc/64/46/36/1033644636.db2.gz NLABMLSVZZJCLP-UFRBAHOGSA-N -1 0 347.842 3.820 20 0 EHADRM Cc1cc(NC(=O)C[C@@]2(C(=O)[O-])CCSC2)ccc1C(F)(F)F ZINC000608340798 1033645296 /nfs/dbraw/zinc/64/52/96/1033645296.db2.gz WPMZIBQLCRVHKB-AWEZNQCLSA-N -1 0 347.358 3.550 20 0 EHADRM C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1cc2c(cc1O)OCO2 ZINC000093923182 1033800696 /nfs/dbraw/zinc/80/06/96/1033800696.db2.gz DWONYKCHSMXWQU-LLVKDONJSA-N -1 0 339.347 3.700 20 0 EHADRM Cc1ccc(-c2[n-][nH]c(=NC(=O)c3scnc3C(C)C)c2C)o1 ZINC000450175664 1033856042 /nfs/dbraw/zinc/85/60/42/1033856042.db2.gz GNBXSRFGDSCGHZ-UHFFFAOYSA-N -1 0 330.413 3.541 20 0 EHADRM O=C([N-][C@H](c1ccccc1)c1ccc2c(c1)CCCO2)C(F)(F)F ZINC000170951303 1033872924 /nfs/dbraw/zinc/87/29/24/1033872924.db2.gz APDPJXPHHFXSKP-MRXNPFEDSA-N -1 0 335.325 3.780 20 0 EHADRM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1ccc(C2=CCCC2)cc1 ZINC000685696923 1033895905 /nfs/dbraw/zinc/89/59/05/1033895905.db2.gz URUPHVPDDSPVBK-UHFFFAOYSA-N -1 0 347.374 3.850 20 0 EHADRM C[C@H](COc1ccc(F)cc1F)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000055697585 1033982240 /nfs/dbraw/zinc/98/22/40/1033982240.db2.gz HLIGEKYLWCUTDD-SECBINFHSA-N -1 0 341.741 3.521 20 0 EHADRM COc1ccc(CN=c2[n-]nc(C(C)C)o2)cc1OC1CCCC1 ZINC000450317043 1034095725 /nfs/dbraw/zinc/09/57/25/1034095725.db2.gz SFDDLIQWYICKPQ-UHFFFAOYSA-N -1 0 331.416 3.557 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)NCCC2(CSC)CC2)s1 ZINC000596658836 1034331147 /nfs/dbraw/zinc/33/11/47/1034331147.db2.gz XAQQTLMNTPGJNB-UHFFFAOYSA-N -1 0 342.534 3.518 20 0 EHADRM CCC(CC)(CC(=O)Nc1ccc(-c2nccc(C)n2)cc1)C(=O)[O-] ZINC000604413840 1034369823 /nfs/dbraw/zinc/36/98/23/1034369823.db2.gz KLDLGZNVENZOEC-UHFFFAOYSA-N -1 0 341.411 3.672 20 0 EHADRM Cc1ccc(Oc2ccccc2CNC(=O)CC(C)(C)C(=O)[O-])cc1 ZINC000604413561 1034370681 /nfs/dbraw/zinc/37/06/81/1034370681.db2.gz LYTMCNXIKWVFQH-UHFFFAOYSA-N -1 0 341.407 3.904 20 0 EHADRM C[C@H](C(=O)N[C@@H](CC(=O)[O-])C1CCCCC1)c1c(F)cccc1F ZINC000450512816 1034446654 /nfs/dbraw/zinc/44/66/54/1034446654.db2.gz SSFSJFOOHRZYMG-NHYWBVRUSA-N -1 0 339.382 3.608 20 0 EHADRM Cc1cc(F)cc([C@@]2(F)CCN(C(=O)c3cccc(C(=O)[O-])c3)C2)c1 ZINC000450541944 1034493570 /nfs/dbraw/zinc/49/35/70/1034493570.db2.gz FRNHLIRVPWKVMY-LJQANCHMSA-N -1 0 345.345 3.543 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)N[C@@H](c2ccccc2)C2CC2)s[n-]1 ZINC000604801768 1034508415 /nfs/dbraw/zinc/50/84/15/1034508415.db2.gz PXUWQAHIYNOUMV-ZDUSSCGKSA-N -1 0 330.457 3.530 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccc(SC)cn2)cc1CC ZINC000534498694 1034608538 /nfs/dbraw/zinc/60/85/38/1034608538.db2.gz ZLSGKHVQIWUIEO-UHFFFAOYSA-N -1 0 336.482 3.729 20 0 EHADRM O=C(COc1ccc(Cl)cc1C1CCCCC1)N=c1cccn[n-]1 ZINC000605470887 1034743899 /nfs/dbraw/zinc/74/38/99/1034743899.db2.gz AYZBVHKGNDADKF-UHFFFAOYSA-N -1 0 345.830 3.617 20 0 EHADRM CC(C)(C)OC(=O)C1(C(=O)Nc2cc(F)cc(Cl)c2[O-])CCC1 ZINC000597523020 1034796449 /nfs/dbraw/zinc/79/64/49/1034796449.db2.gz UUFUIOWXUGRTPB-UHFFFAOYSA-N -1 0 343.782 3.635 20 0 EHADRM CC1(C)CN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c2cccc(Cl)c21 ZINC000262679651 1034808824 /nfs/dbraw/zinc/80/88/24/1034808824.db2.gz ACVDFEXVUSBBFG-HAQNSBGRSA-N -1 0 335.831 3.855 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-] ZINC000601986345 1034849109 /nfs/dbraw/zinc/84/91/09/1034849109.db2.gz CUPXUOYUBAFJIF-BDAKNGLRSA-N -1 0 335.347 3.547 20 0 EHADRM COc1cc(C)c(-c2ccc(O[C@H]3CCOC3)cc2)cc1C(=O)[O-] ZINC000515171492 1034868037 /nfs/dbraw/zinc/86/80/37/1034868037.db2.gz QFDXFOGPZHRUJI-HNNXBMFYSA-N -1 0 328.364 3.537 20 0 EHADRM CC(C)(C)c1csc([N-]S(=O)(=O)c2sccc2Cl)n1 ZINC000450964500 1034991426 /nfs/dbraw/zinc/99/14/26/1034991426.db2.gz FVIRIIHZDLYYCO-UHFFFAOYSA-N -1 0 336.891 3.956 20 0 EHADRM Cc1scnc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C ZINC000530141525 1035002126 /nfs/dbraw/zinc/00/21/26/1035002126.db2.gz ZFDRRWJFGROMPG-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM C[C@@H](CC(=O)[O-])c1ccc(NS(=O)(=O)CC2CCCCC2)cc1 ZINC000391428567 1035011644 /nfs/dbraw/zinc/01/16/44/1035011644.db2.gz GAOCRBZCJNMMAI-ZDUSSCGKSA-N -1 0 339.457 3.587 20 0 EHADRM O=C([O-])[C@H]1c2ccoc2CCN1Cc1csc(-c2ccsc2)n1 ZINC000530164696 1035034496 /nfs/dbraw/zinc/03/44/96/1035034496.db2.gz BUBBRZVGIMPLLL-CQSZACIVSA-N -1 0 346.433 3.649 20 0 EHADRM CC(=O)c1ccc(NC(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)cc1 ZINC000236660449 1035037878 /nfs/dbraw/zinc/03/78/78/1035037878.db2.gz QAUSPWWHCSBCMI-IBGZPJMESA-N -1 0 331.412 3.889 20 0 EHADRM C[C@@H](CNCc1c(F)ccc(O)c1F)Oc1ccccc1Cl ZINC000511357894 1035086122 /nfs/dbraw/zinc/08/61/22/1035086122.db2.gz DRAZXHAROAWOIA-JTQLQIEISA-N -1 0 327.758 3.881 20 0 EHADRM CCC(CC)(CC(=O)N(C)Cc1nc2ccccc2s1)C(=O)[O-] ZINC000390673118 1035095684 /nfs/dbraw/zinc/09/56/84/1035095684.db2.gz QVEWFWWNSXEQJW-UHFFFAOYSA-N -1 0 334.441 3.536 20 0 EHADRM CC(C)(C(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1)C1CCCC1 ZINC000431667904 1035168892 /nfs/dbraw/zinc/16/88/92/1035168892.db2.gz RZAFNRUEWAXIGC-UHFFFAOYSA-N -1 0 328.412 3.881 20 0 EHADRM Cc1nc(C)c(COC(=O)c2cccc3[nH]c(C(F)F)nc32)s1 ZINC000924079943 1035429188 /nfs/dbraw/zinc/42/91/88/1035429188.db2.gz AICXNAXPVYFHMK-UHFFFAOYSA-N -1 0 337.351 3.931 20 0 EHADRM CCO[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccccc1C)C1=CCCC1 ZINC000431771167 1035459758 /nfs/dbraw/zinc/45/97/58/1035459758.db2.gz VDIPNVUDQLOGGF-ZWKOTPCHSA-N -1 0 345.439 3.533 20 0 EHADRM CCC(CC)(CC(=O)N[C@H]1CCCc2c(F)cc(F)cc21)C(=O)[O-] ZINC000414093931 1035479196 /nfs/dbraw/zinc/47/91/96/1035479196.db2.gz OJGTVTLXNNTTSE-HNNXBMFYSA-N -1 0 339.382 3.740 20 0 EHADRM C[C@@H](CCCc1cccnc1)NC(=O)CC1(C(=O)[O-])CCCCCC1 ZINC000414093658 1035483200 /nfs/dbraw/zinc/48/32/00/1035483200.db2.gz FYPULYRYFWKFFG-INIZCTEOSA-N -1 0 346.471 3.724 20 0 EHADRM CC(C)(C(=O)[N-]OCc1coc(-c2cccs2)n1)c1ccccc1 ZINC000066468964 1035487270 /nfs/dbraw/zinc/48/72/70/1035487270.db2.gz VCNSNUXPMWOYTR-UHFFFAOYSA-N -1 0 342.420 3.929 20 0 EHADRM Cc1ccc(C([O-])=CS(=O)(=O)c2cccc(C(F)(F)F)c2)s1 ZINC000172358567 1035501260 /nfs/dbraw/zinc/50/12/60/1035501260.db2.gz YNMJJRNWDKNNAD-UHFFFAOYSA-N -1 0 348.367 3.732 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@@H](C)Cc2ccc(C(F)(F)F)cc2)s[n-]1 ZINC000509714869 1035523962 /nfs/dbraw/zinc/52/39/62/1035523962.db2.gz UFYMCICRULZMLI-UWVGGRQHSA-N -1 0 345.390 3.729 20 0 EHADRM CC(C)(C)Cc1csc([N-]S(=O)(=O)c2cccc(F)c2F)n1 ZINC000540654376 1035529888 /nfs/dbraw/zinc/52/98/88/1035529888.db2.gz LSYDSMICSHLHTJ-UHFFFAOYSA-N -1 0 346.424 3.811 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)N[C@H](CC(=O)[O-])C1CCCCC1 ZINC000540705417 1035584471 /nfs/dbraw/zinc/58/44/71/1035584471.db2.gz RTCJSGYZFJURIA-WMLDXEAASA-N -1 0 347.455 3.729 20 0 EHADRM COc1ccc([C@H](C)CC(=O)N[C@@H](CC(=O)[O-])C2CCCCC2)cc1 ZINC000540716049 1035603172 /nfs/dbraw/zinc/60/31/72/1035603172.db2.gz YTZTWMDSGWPMPV-KDOFPFPSSA-N -1 0 347.455 3.729 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cc2cc(F)ccc2o1)C1CCCCC1 ZINC000540713085 1035617717 /nfs/dbraw/zinc/61/77/17/1035617717.db2.gz LLHJOKJSXHFGFF-CQSZACIVSA-N -1 0 333.359 3.725 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)N[C@H](CC(=O)[O-])C1CCCCC1 ZINC000540713793 1035621770 /nfs/dbraw/zinc/62/17/70/1035621770.db2.gz WOLSYUMBNAYTBX-CYBMUJFWSA-N -1 0 338.473 3.728 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)N(C[C@H](C)C(=O)[O-])C2CC2)cc1 ZINC000431811954 1035645536 /nfs/dbraw/zinc/64/55/36/1035645536.db2.gz RQKIJJLUIRRKED-RGDDUWESSA-N -1 0 329.440 3.925 20 0 EHADRM CCCCN(CCCC)C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000540774285 1035669780 /nfs/dbraw/zinc/66/97/80/1035669780.db2.gz OYWCUFYNKYTKLC-UHFFFAOYSA-N -1 0 335.444 3.809 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(C)n([C@@H](C)C3CC3)n2)sc1C ZINC000544095899 1035675567 /nfs/dbraw/zinc/67/55/67/1035675567.db2.gz DNLWNMLCYYNYLR-NSHDSACASA-N -1 0 339.486 3.642 20 0 EHADRM Cc1cccc(CN=c2[n-]nc(CCC(C)C)o2)c1OC(F)F ZINC000540857349 1035741293 /nfs/dbraw/zinc/74/12/93/1035741293.db2.gz GIROAFDZBMNUTQ-UHFFFAOYSA-N -1 0 325.359 3.602 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2cccc(-c3ccccc3)c2)C1 ZINC000263098738 1035763020 /nfs/dbraw/zinc/76/30/20/1035763020.db2.gz JRRKQOXBZRFZPL-PBHICJAKSA-N -1 0 338.407 3.928 20 0 EHADRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000045098925 1035844414 /nfs/dbraw/zinc/84/44/14/1035844414.db2.gz PMMVWVNDMPNRHU-UHFFFAOYSA-N -1 0 348.808 3.638 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2ccccc2C)c2ncccc12 ZINC000463788112 1035852190 /nfs/dbraw/zinc/85/21/90/1035852190.db2.gz PQQVTZIXFFBUAC-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2cccnc2C)c2ccccc12 ZINC000174329051 1035897483 /nfs/dbraw/zinc/89/74/83/1035897483.db2.gz GPUKESVUSTWUIS-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM CC(F)(F)CCCS(=O)(=O)[N-][C@H](c1ccccc1)C(F)(F)F ZINC000913932185 1035903001 /nfs/dbraw/zinc/90/30/01/1035903001.db2.gz OZIAMTQPCBGFSH-LLVKDONJSA-N -1 0 345.333 3.645 20 0 EHADRM O=C(/C=C\c1cnccn1)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000492522174 1035943131 /nfs/dbraw/zinc/94/31/31/1035943131.db2.gz ODWGEHYBXSHYHR-UPHRSURJSA-N -1 0 344.585 3.794 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)N[C@@H](C)c1cccc2ccccc21)C1CC1 ZINC000572194997 1036037149 /nfs/dbraw/zinc/03/71/49/1036037149.db2.gz OHYVDZUHKWWCLB-SCLBCKFNSA-N -1 0 340.423 3.938 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(-c2cccc(CO[C@H]3CCOC3)c2)cc1 ZINC000521645762 1036053107 /nfs/dbraw/zinc/05/31/07/1036053107.db2.gz LODOGIZGJYMBDS-KUHUBIRLSA-N -1 0 326.392 3.847 20 0 EHADRM COc1ccc(N=c2[n-]nc([C@@H]3CCCO3)n2C(C)C)cc1SC ZINC000572373411 1036091368 /nfs/dbraw/zinc/09/13/68/1036091368.db2.gz HESUKRKMNHQDEU-AWEZNQCLSA-N -1 0 348.472 3.607 20 0 EHADRM COCCOCc1cccc(-c2c(C)sc(C(=O)[O-])c2OC)c1 ZINC000572379903 1036093785 /nfs/dbraw/zinc/09/37/85/1036093785.db2.gz UAJOLUZFYYPMOW-UHFFFAOYSA-N -1 0 336.409 3.593 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@H]1COc2ccc(F)cc2C1 ZINC000376331587 1036116479 /nfs/dbraw/zinc/11/64/79/1036116479.db2.gz BSAZCRZDWFGHGI-SECBINFHSA-N -1 0 339.725 3.514 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000063584624 1036125374 /nfs/dbraw/zinc/12/53/74/1036125374.db2.gz OCMAIQNQPJVGFP-UHFFFAOYSA-N -1 0 348.805 3.901 20 0 EHADRM C/C=C\c1ccc([N-]S(=O)(=O)c2ccccc2C(=O)OCC)cc1 ZINC000588853534 1036142189 /nfs/dbraw/zinc/14/21/89/1036142189.db2.gz JHVHPQYHEGACIG-CLTKARDFSA-N -1 0 345.420 3.697 20 0 EHADRM COc1ccc(/C=C/C(=O)Nc2cc(F)cc(Cl)c2[O-])cc1O ZINC000492671965 1036150291 /nfs/dbraw/zinc/15/02/91/1036150291.db2.gz CPWIPNJCXWNYBW-HWKANZROSA-N -1 0 337.734 3.551 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@H]1c1ccccc1Cl ZINC000321306786 1036234909 /nfs/dbraw/zinc/23/49/09/1036234909.db2.gz NSNIRQVILJSECT-ZENOOKHLSA-N -1 0 335.831 3.895 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2nc3ccccc3s2)cc1C ZINC000589263239 1036325748 /nfs/dbraw/zinc/32/57/48/1036325748.db2.gz IPJSAEYCDDUONL-UHFFFAOYSA-N -1 0 348.449 3.804 20 0 EHADRM O=C(N=c1[n-]nc(Cc2cccc(Cl)c2)s1)c1ccc(F)cc1 ZINC000464335470 1036360247 /nfs/dbraw/zinc/36/02/47/1036360247.db2.gz ABQGSBOEATUQPB-UHFFFAOYSA-N -1 0 347.802 3.596 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)on2)cc1Cl ZINC000464420729 1036426794 /nfs/dbraw/zinc/42/67/94/1036426794.db2.gz QQHONRKNZYJVLO-UHFFFAOYSA-N -1 0 346.861 3.974 20 0 EHADRM O=C([O-])CN(C(=O)Nc1ccc2c(c1)Cc1ccccc1-2)C1CCC1 ZINC000572703011 1036458815 /nfs/dbraw/zinc/45/88/15/1036458815.db2.gz UDDBDHIEOHGLEP-UHFFFAOYSA-N -1 0 336.391 3.729 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])Cc1csc(Nc2ccccc2C)n1 ZINC000572890661 1036530046 /nfs/dbraw/zinc/53/00/46/1036530046.db2.gz IVWIXOFHYBHRRY-CYBMUJFWSA-N -1 0 333.457 3.880 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc3ncsc3c2)c(F)cc1F ZINC000175765656 1036548734 /nfs/dbraw/zinc/54/87/34/1036548734.db2.gz LAEYHGZXHKYSIU-UHFFFAOYSA-N -1 0 340.376 3.684 20 0 EHADRM C[C@H](C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1cc2ccccc2o1 ZINC000176245155 1036588367 /nfs/dbraw/zinc/58/83/67/1036588367.db2.gz PHVLWOYCAURXBB-NSHDSACASA-N -1 0 349.346 3.518 20 0 EHADRM CSc1ccc(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1Cl ZINC000263200428 1036627933 /nfs/dbraw/zinc/62/79/33/1036627933.db2.gz XEYSQIDKTPEYCF-VHSXEESVSA-N -1 0 342.848 3.636 20 0 EHADRM CC(C)(CCCc1ccccc1)C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000263207142 1036630328 /nfs/dbraw/zinc/63/03/28/1036630328.db2.gz KWXMTIHQCIFNMC-FQEVSTJZSA-N -1 0 331.456 3.749 20 0 EHADRM CCc1oncc1[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000669821900 1036734082 /nfs/dbraw/zinc/73/40/82/1036734082.db2.gz ADTOMROHYQLXCI-UHFFFAOYSA-N -1 0 349.239 3.961 20 0 EHADRM CCC(CC)CNS(=O)(=O)c1sc(C)cc1Br ZINC000462274019 1036757934 /nfs/dbraw/zinc/75/79/34/1036757934.db2.gz CXIZXJRCNHELKL-UHFFFAOYSA-N -1 0 340.308 3.534 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CNCc2ncc(Br)cc2[O-])o1 ZINC000892623673 1036769473 /nfs/dbraw/zinc/76/94/73/1036769473.db2.gz ZCOXNPAHFVBRJL-BXKDBHETSA-N -1 0 337.217 3.556 20 0 EHADRM C[C@@H]1C[C@H]1[C@@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000263325397 1036777679 /nfs/dbraw/zinc/77/76/79/1036777679.db2.gz OOPKKWGZXJNFSZ-BCEUIYSSSA-N -1 0 335.831 3.654 20 0 EHADRM CCCC[C@@H]1CCC[C@H]1NC(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000590135739 1036783497 /nfs/dbraw/zinc/78/34/97/1036783497.db2.gz DLNQDJRDVPZBOG-VXGBXAGGSA-N -1 0 334.445 3.700 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2C(F)(F)F)c1 ZINC000177171042 1036784241 /nfs/dbraw/zinc/78/42/41/1036784241.db2.gz FZDYNFICELMWNG-UHFFFAOYSA-N -1 0 333.306 3.954 20 0 EHADRM N#CC(=C([O-])c1ccc(C#N)[nH]1)c1nc2cc(Cl)ccc2s1 ZINC000152465456 1036807814 /nfs/dbraw/zinc/80/78/14/1036807814.db2.gz FYAWPKGSEMNZFP-JTQLQIEISA-N -1 0 326.768 3.640 20 0 EHADRM CCCCCOc1cc(C)ccc1CNC(=O)CC(C)(C)C(=O)[O-] ZINC000464827441 1036862569 /nfs/dbraw/zinc/86/25/69/1036862569.db2.gz JPBCGLDFCJTSMO-UHFFFAOYSA-N -1 0 335.444 3.681 20 0 EHADRM CSCc1ccc(C(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)cc1 ZINC000590400044 1036863951 /nfs/dbraw/zinc/86/39/51/1036863951.db2.gz QAXFBEQPMVGKAZ-UHFFFAOYSA-N -1 0 339.420 3.898 20 0 EHADRM CC1CCC(N(C(=O)NCc2ccc(C(=O)[O-])cc2)C2CC2)CC1 ZINC000263434490 1036909443 /nfs/dbraw/zinc/90/94/43/1036909443.db2.gz ZNPVEQXYDPEQGU-UHFFFAOYSA-N -1 0 330.428 3.638 20 0 EHADRM Cc1[nH]c2ccccc2c1C1CCN(C(=O)CC(C)(C)C(=O)[O-])CC1 ZINC000519310917 1036927074 /nfs/dbraw/zinc/92/70/74/1036927074.db2.gz DVPJPWOQYRFBCF-UHFFFAOYSA-N -1 0 342.439 3.683 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N1CCC[C@]1(C)C(=O)[O-] ZINC000263445752 1036928313 /nfs/dbraw/zinc/92/83/13/1036928313.db2.gz NHCDUEBXJXWNSP-HXUWFJFHSA-N -1 0 337.375 3.974 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C[C@H]1CCc2ccccc2C1)C1CCCCC1 ZINC000539605430 1036967032 /nfs/dbraw/zinc/96/70/32/1036967032.db2.gz TXIGAIKQMMSNLL-KXBFYZLASA-N -1 0 343.467 3.721 20 0 EHADRM CCC[C@H]1CCCC[C@@H]1NC(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000590625159 1036975689 /nfs/dbraw/zinc/97/56/89/1036975689.db2.gz DBPGUYYWAVRUBG-RYUDHWBXSA-N -1 0 334.445 3.700 20 0 EHADRM CCCC[C@@H](C)N(C)C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263495738 1036981288 /nfs/dbraw/zinc/98/12/88/1036981288.db2.gz SSPZCALAFMFXNL-WBVHZDCISA-N -1 0 334.460 3.683 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)c2cccc(C(F)F)c2)sc1C(=O)[O-] ZINC000263515464 1037030815 /nfs/dbraw/zinc/03/08/15/1037030815.db2.gz DNSZEHZXRHNWFN-MRVPVSSYSA-N -1 0 340.351 3.578 20 0 EHADRM c1coc(-c2n[n-]c(=NCc3ccccc3OCc3ccccc3)o2)c1 ZINC000539708417 1037095146 /nfs/dbraw/zinc/09/51/46/1037095146.db2.gz YLWQLNBZQMJBFC-UHFFFAOYSA-N -1 0 347.374 3.943 20 0 EHADRM CCCc1n[n-]c(=NCc2csc(-c3ccc(F)cc3)n2)s1 ZINC000539709330 1037096743 /nfs/dbraw/zinc/09/67/43/1037096743.db2.gz IEQKDFYWJQWTBE-UHFFFAOYSA-N -1 0 334.445 3.787 20 0 EHADRM CCc1ccc2occ(C(=O)N3CCCC[C@H]3CCC(=O)[O-])c2c1 ZINC000263557079 1037129167 /nfs/dbraw/zinc/12/91/67/1037129167.db2.gz ZJFLCINLUTVRHS-AWEZNQCLSA-N -1 0 329.396 3.855 20 0 EHADRM C[C@@H]1CCC[C@@H](NC(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)C1 ZINC000666518436 1037171959 /nfs/dbraw/zinc/17/19/59/1037171959.db2.gz ZZDDRYOVIUZHKG-GDBMZVCRSA-N -1 0 344.455 3.853 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc2c(cccc2F)s1 ZINC000324003752 1037177432 /nfs/dbraw/zinc/17/74/32/1037177432.db2.gz GUIFLEGVUHLASL-HONMWMINSA-N -1 0 347.411 3.898 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)NC[C@@H]2CC=CCC2)CC1 ZINC000666523129 1037178530 /nfs/dbraw/zinc/17/85/30/1037178530.db2.gz SUCPOBAVFBWSTE-OAHLLOKOSA-N -1 0 342.439 3.630 20 0 EHADRM O=C([O-])C(=O)/C(=C/c1ccc(F)c(F)c1)c1ccc2ccccc2n1 ZINC000057826066 1037197414 /nfs/dbraw/zinc/19/74/14/1037197414.db2.gz XRKFONQXGWUOAO-UKTHLTGXSA-N -1 0 339.297 3.707 20 0 EHADRM CC(C)[C@H](c1ccccc1)N(C)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000666562340 1037210898 /nfs/dbraw/zinc/21/08/98/1037210898.db2.gz KOMZNEFCVXOSPZ-GOSISDBHSA-N -1 0 340.423 3.924 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)NCc2cccc(C(=O)[O-])c2)c(C)c1 ZINC000666566463 1037213605 /nfs/dbraw/zinc/21/36/05/1037213605.db2.gz OYTWHEAPZWICGG-HNNXBMFYSA-N -1 0 340.423 3.904 20 0 EHADRM CC(C)CCc1ccc(S(=O)(=O)[N-]c2cnoc2C2CC2)cc1 ZINC000414387019 1037230761 /nfs/dbraw/zinc/23/07/61/1037230761.db2.gz VWGMWONLTCNHIV-UHFFFAOYSA-N -1 0 334.441 3.941 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000089288174 1037259891 /nfs/dbraw/zinc/25/98/91/1037259891.db2.gz HYQBRFVDHDSIJG-ZJUUUORDSA-N -1 0 334.224 3.569 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000089288175 1037260002 /nfs/dbraw/zinc/26/00/02/1037260002.db2.gz HYQBRFVDHDSIJG-VHSXEESVSA-N -1 0 334.224 3.569 20 0 EHADRM CCC[C@@]1(C(=O)[O-])CCCN1C(=O)C1CCC(C(F)(F)F)CC1 ZINC000324030127 1037268245 /nfs/dbraw/zinc/26/82/45/1037268245.db2.gz BICMBPAXFBNBGV-QOZQQMKHSA-N -1 0 335.366 3.601 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(C2CC2)cc1)c1ccc(F)cc1 ZINC000659117902 1037277530 /nfs/dbraw/zinc/27/75/30/1037277530.db2.gz QDIAXLGYDQHEFM-KRWDZBQOSA-N -1 0 327.355 3.649 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(C(=O)c1cccc(C3CCCC3)c1)CC2 ZINC000659119963 1037285002 /nfs/dbraw/zinc/28/50/02/1037285002.db2.gz KEFXHBXYHFHWGD-KRWDZBQOSA-N -1 0 327.424 3.671 20 0 EHADRM CCC[C@@H](C(=O)N1CCC(CC(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000659120275 1037311568 /nfs/dbraw/zinc/31/15/68/1037311568.db2.gz JFTCZRYQRJQGMM-MRXNPFEDSA-N -1 0 337.847 3.937 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC000659121917 1037314201 /nfs/dbraw/zinc/31/42/01/1037314201.db2.gz NDWMAIDGBNGLNA-JTQLQIEISA-N -1 0 333.409 3.889 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCCC[C@H]1Cc1ccccc1 ZINC000659121897 1037315029 /nfs/dbraw/zinc/31/50/29/1037315029.db2.gz MUVSMRNBJCJQLJ-HNNXBMFYSA-N -1 0 327.380 3.524 20 0 EHADRM O=C([O-])C[C@H]1CSCCN1C(=O)c1cc(Cl)cc2ccccc21 ZINC000659127427 1037320568 /nfs/dbraw/zinc/32/05/68/1037320568.db2.gz HUOOIKOFJXRGOC-ZDUSSCGKSA-N -1 0 349.839 3.526 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@H](C)c1ccccc1OC(C)C ZINC000659140413 1037359549 /nfs/dbraw/zinc/35/95/49/1037359549.db2.gz NLTCJQYBUYDABT-LLVKDONJSA-N -1 0 331.368 3.564 20 0 EHADRM Cc1nc(CNC(=O)c2cccc(C3CCCC3)c2)sc1C(=O)[O-] ZINC000659142318 1037363586 /nfs/dbraw/zinc/36/35/86/1037363586.db2.gz FLDKDUNRUOJOGQ-UHFFFAOYSA-N -1 0 344.436 3.737 20 0 EHADRM CC(C)[C@H](NC(=O)c1cccc(CC(=O)[O-])c1)c1ccccc1F ZINC000659179640 1037423216 /nfs/dbraw/zinc/42/32/16/1037423216.db2.gz NCZBMMWNHKVUKV-SFHVURJKSA-N -1 0 329.371 3.580 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)CC[C@@H](C)c2ccccc2)n1 ZINC000659183894 1037435957 /nfs/dbraw/zinc/43/59/57/1037435957.db2.gz ZWHHMEGXPZMMMT-ZBFHGGJFSA-N -1 0 343.427 3.831 20 0 EHADRM Cc1cccc2cc(C(=O)N3CC[C@H](C(=O)[O-])[C@@H]4CCCC[C@H]43)oc21 ZINC000659195318 1037453529 /nfs/dbraw/zinc/45/35/29/1037453529.db2.gz OXPPVXHEWGRYIE-HRCADAONSA-N -1 0 341.407 3.847 20 0 EHADRM CC1(C)C[C@H](c2ccccc2)N(C(=O)N=c2[n-]nc(C3CC3)s2)C1 ZINC000573316283 1037460628 /nfs/dbraw/zinc/46/06/28/1037460628.db2.gz NPEPOXLLOFKFBO-CQSZACIVSA-N -1 0 342.468 3.843 20 0 EHADRM Cc1cc(C)cc(CCC(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)c1 ZINC000659194189 1037465283 /nfs/dbraw/zinc/46/52/83/1037465283.db2.gz SDLYQUGMIBPBAA-QYZOEREBSA-N -1 0 343.467 3.728 20 0 EHADRM Cc1nc(=NC[C@H](C)Sc2ccc(Br)cc2)s[n-]1 ZINC000462843658 1037473876 /nfs/dbraw/zinc/47/38/76/1037473876.db2.gz GXNQZJGNMJAPME-QMMMGPOBSA-N -1 0 344.303 3.624 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cnn([C@H](C)C3CC3)c2)c(C)c1 ZINC000187719605 1037477581 /nfs/dbraw/zinc/47/75/81/1037477581.db2.gz VJTRWIXGBOAXSF-CQSZACIVSA-N -1 0 333.457 3.580 20 0 EHADRM C[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000557950387 1037514644 /nfs/dbraw/zinc/51/46/44/1037514644.db2.gz GMIYDZMFQKAIDY-ZETCQYMHSA-N -1 0 345.704 3.869 20 0 EHADRM Cc1cc(C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)sc1-c1ccc(F)cc1 ZINC000659230052 1037537652 /nfs/dbraw/zinc/53/76/52/1037537652.db2.gz ABRMFNYQRYOTHL-XBXGTLAGSA-N -1 0 347.411 3.798 20 0 EHADRM CC(C)Oc1ccc(Cl)cc1C(=O)N[C@@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000659234570 1037548516 /nfs/dbraw/zinc/54/85/16/1037548516.db2.gz HITGDZCURFFCOG-RHSMWYFYSA-N -1 0 339.819 3.500 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000659234493 1037549679 /nfs/dbraw/zinc/54/96/79/1037549679.db2.gz KEBFWPSDZMSVRA-DYESRHJHSA-N -1 0 337.419 3.578 20 0 EHADRM C[C@@]1(Cc2cccc3ccccc32)CCCN1C(=O)CCC(=O)[O-] ZINC000659232554 1037557354 /nfs/dbraw/zinc/55/73/54/1037557354.db2.gz LTQUPCNIEBBDTL-FQEVSTJZSA-N -1 0 325.408 3.628 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)C1(c2ccccc2Cl)CCC1 ZINC000659241665 1037567060 /nfs/dbraw/zinc/56/70/60/1037567060.db2.gz JLZPKVRHCSWVJW-YOEHRIQHSA-N -1 0 335.831 3.521 20 0 EHADRM COCc1cc(NC(=O)/C=C/SCc2ccco2)cc(C(=O)[O-])c1 ZINC000493742651 1037591666 /nfs/dbraw/zinc/59/16/66/1037591666.db2.gz TWTZQLWUAIAGRU-GQCTYLIASA-N -1 0 347.392 3.510 20 0 EHADRM CC(C)(C)c1nc(C#N)c([N-]N=C2c3cc(Cl)ccc3NC2=O)o1 ZINC000058204600 1037603718 /nfs/dbraw/zinc/60/37/18/1037603718.db2.gz YTLHEPHEJVCIOV-UHFFFAOYSA-N -1 0 343.774 3.915 20 0 EHADRM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000591795929 1037606577 /nfs/dbraw/zinc/60/65/77/1037606577.db2.gz YLDSNQSNWVGOSA-UHFFFAOYSA-N -1 0 335.734 3.867 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCc1cccc(Cl)c1 ZINC000532556396 1037625478 /nfs/dbraw/zinc/62/54/78/1037625478.db2.gz KTTDHZHMRRWUCZ-IMJJTQAJSA-N -1 0 335.831 3.517 20 0 EHADRM C[C@@H](CN=c1[n-]nc(-c2ccccc2)s1)Oc1ccc(F)cc1 ZINC000463072695 1037738820 /nfs/dbraw/zinc/73/88/20/1037738820.db2.gz FCAOFYZVHRQKBU-LBPRGKRZSA-N -1 0 329.400 3.646 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)NCCCC2CCCCC2)cc1C ZINC000475859896 1037740555 /nfs/dbraw/zinc/74/05/55/1037740555.db2.gz OSQUAHDKQSBTCK-HSZRJFAPSA-N -1 0 335.513 3.888 20 0 EHADRM Cc1nc(NC(=O)NO[C@@H]2CCCCO2)sc1-c1ccccc1 ZINC000152830055 1037749816 /nfs/dbraw/zinc/74/98/16/1037749816.db2.gz ZYCNCJFFNIJPNY-CYBMUJFWSA-N -1 0 333.413 3.698 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2cccc(OCC(F)(F)F)c2)cc1 ZINC001212170764 1037786226 /nfs/dbraw/zinc/78/62/26/1037786226.db2.gz GXUKGDZEWOPSET-UHFFFAOYSA-N -1 0 347.314 3.618 20 0 EHADRM CCO[C@H]1C[C@@H](NC(=O)c2cc3ccccc3cc2O)C12CCC2 ZINC000303912012 1037851586 /nfs/dbraw/zinc/85/15/86/1037851586.db2.gz MRUKKXHTMIASLR-MSOLQXFVSA-N -1 0 325.408 3.623 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCc2cc(F)ccc2F)c2ccccc21 ZINC000669435574 1037869845 /nfs/dbraw/zinc/86/98/45/1037869845.db2.gz KJWHUIVDBMITLE-OAHLLOKOSA-N -1 0 345.345 3.503 20 0 EHADRM CC[C@H](c1n[n-]c(=NCC2(C)CCOCC2)s1)c1ccccc1 ZINC000463251958 1037954933 /nfs/dbraw/zinc/95/49/33/1037954933.db2.gz ICHNQWGZMJNMBH-HNNXBMFYSA-N -1 0 331.485 3.731 20 0 EHADRM COCc1nc(=NCc2ccc(-c3ccccc3)cc2F)s[n-]1 ZINC000463252819 1037956512 /nfs/dbraw/zinc/95/65/12/1037956512.db2.gz VSYVXKGRGNBNQY-UHFFFAOYSA-N -1 0 329.400 3.525 20 0 EHADRM CC(C)C[C@@H](NC(=O)N[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000573991874 1037966608 /nfs/dbraw/zinc/96/66/08/1037966608.db2.gz XFSVMXDIGRNTJY-GXFFZTMASA-N -1 0 346.349 3.565 20 0 EHADRM O=S(=O)(NCc1ccc2sccc2c1)c1ccc(F)cc1F ZINC000584558058 1037998055 /nfs/dbraw/zinc/99/80/55/1037998055.db2.gz YEQZAABUEAVIDL-UHFFFAOYSA-N -1 0 339.388 3.658 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cnc(Cl)cc2C)c1Cl ZINC000180004546 1038002818 /nfs/dbraw/zinc/00/28/18/1038002818.db2.gz YOVNTNOYLHONPE-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM c1nc(CN=c2[n-]nc(-c3ccccc3)s2)c(-c2ccccc2)o1 ZINC000378217493 1038244023 /nfs/dbraw/zinc/24/40/23/1038244023.db2.gz LFWBBVUUEPILOS-UHFFFAOYSA-N -1 0 334.404 3.894 20 0 EHADRM COc1ccc(CCCCC(=O)NCC2(C(=O)[O-])CCCCC2)cc1 ZINC000431858579 1038274370 /nfs/dbraw/zinc/27/43/70/1038274370.db2.gz CUCSISVYXWCGAI-UHFFFAOYSA-N -1 0 347.455 3.559 20 0 EHADRM c1csc(CCCc2n[n-]c(=NCc3cnc(C4CC4)s3)o2)c1 ZINC000538593670 1038404777 /nfs/dbraw/zinc/40/47/77/1038404777.db2.gz YLVSHDCCSKVZFG-UHFFFAOYSA-N -1 0 346.481 3.674 20 0 EHADRM Cn1cnc2cc(CN=c3[n-]nc(CC4CCCCC4)s3)ccc21 ZINC000538594209 1038405363 /nfs/dbraw/zinc/40/53/63/1038405363.db2.gz UVQWYIWBTSQCML-UHFFFAOYSA-N -1 0 341.484 3.582 20 0 EHADRM CCCCc1n[n-]c(=NCc2cc(C)c(OC(F)F)c(C)c2)o1 ZINC000538592565 1038423880 /nfs/dbraw/zinc/42/38/80/1038423880.db2.gz IYYZAYGRTZXELS-UHFFFAOYSA-N -1 0 325.359 3.664 20 0 EHADRM c1cc2cccc(CN=c3[n-]nc(C4CCOCC4)s3)c2s1 ZINC000651361321 1038516758 /nfs/dbraw/zinc/51/67/58/1038516758.db2.gz TVIZVRAMHUOBEF-UHFFFAOYSA-N -1 0 331.466 3.681 20 0 EHADRM O=C(Nc1cc2c(cc1Cl)OCO2)c1ccc(Cl)cc1[O-] ZINC000538765208 1038529563 /nfs/dbraw/zinc/52/95/63/1038529563.db2.gz FJALBELZVNBSNX-UHFFFAOYSA-N -1 0 326.135 3.680 20 0 EHADRM CC(C)OCCOCc1cccc(N=c2nc(C(C)C)[n-]s2)c1 ZINC000538870079 1038575572 /nfs/dbraw/zinc/57/55/72/1038575572.db2.gz ROWZTEKKBUVEAR-UHFFFAOYSA-N -1 0 335.473 3.769 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2ccccc2-n2ccc(C)n2)c1 ZINC000468945637 1038607861 /nfs/dbraw/zinc/60/78/61/1038607861.db2.gz LRQNRRMSRYAYPM-UHFFFAOYSA-N -1 0 341.436 3.544 20 0 EHADRM C[C@@H](CC(=O)[O-])Nc1nc(-c2ccccc2C(F)(F)F)cs1 ZINC000416425808 1038657941 /nfs/dbraw/zinc/65/79/41/1038657941.db2.gz JSRSMHSLROXFTJ-QMMMGPOBSA-N -1 0 330.331 3.526 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cn(C)nc2-c2ccccc2)c1 ZINC000539110323 1038689332 /nfs/dbraw/zinc/68/93/32/1038689332.db2.gz HIIGGWVYNIIABY-UHFFFAOYSA-N -1 0 341.436 3.505 20 0 EHADRM O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cn1)c1cccc(F)c1[O-] ZINC001125884749 1038707856 /nfs/dbraw/zinc/70/78/56/1038707856.db2.gz XTHNWXXCGNESMT-UHFFFAOYSA-N -1 0 348.337 3.722 20 0 EHADRM O=C([O-])c1ccc(F)c2c1CN(C(=O)[C@H]1CCC=CCCC1)CC2 ZINC000910209859 1038780616 /nfs/dbraw/zinc/78/06/16/1038780616.db2.gz PHSALHKPLJZRFI-ZDUSSCGKSA-N -1 0 331.387 3.545 20 0 EHADRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)C1(C)CC=CC1 ZINC000910253933 1038790012 /nfs/dbraw/zinc/79/00/12/1038790012.db2.gz UTDAKBNNVNAMOX-UHFFFAOYSA-N -1 0 338.201 3.751 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)N[C@@H](CC(=O)[O-])c1ccccc1C ZINC000236686138 1038803225 /nfs/dbraw/zinc/80/32/25/1038803225.db2.gz DALCBJUYRABSLN-RMHQSFGDSA-N -1 0 341.382 3.870 20 0 EHADRM Cc1nc(C2CCN(C(=O)[C@]3(C)CC=CCC3)CC2)sc1C(=O)[O-] ZINC000910356513 1038850213 /nfs/dbraw/zinc/85/02/13/1038850213.db2.gz IAGYJUWEAVCJLW-GOSISDBHSA-N -1 0 348.468 3.602 20 0 EHADRM COc1cccc([C@H](NCc2csc(CCC(C)C)n2)C(=O)[O-])c1 ZINC000905397827 1038855449 /nfs/dbraw/zinc/85/54/49/1038855449.db2.gz ZWDXDRWEZRTONQ-KRWDZBQOSA-N -1 0 348.468 3.656 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N2C[C@H](C)C[C@H]2c2ccccc2)s1 ZINC000554052644 1038860037 /nfs/dbraw/zinc/86/00/37/1038860037.db2.gz QBWUJRRKZNRAPJ-HIFRSBDPSA-N -1 0 344.484 3.774 20 0 EHADRM CSc1ccccc1CC(=O)N[C@H](CC(=O)[O-])c1cccc(C)c1 ZINC000910367943 1038868167 /nfs/dbraw/zinc/86/81/67/1038868167.db2.gz PMBHCCYJOJZCQN-MRXNPFEDSA-N -1 0 343.448 3.592 20 0 EHADRM Cc1nc(N2CCCCC[C@H]2C[C@@H](O)c2ccco2)ccc1C(=O)[O-] ZINC000910374700 1038871587 /nfs/dbraw/zinc/87/15/87/1038871587.db2.gz KPAMURKXKHDDKE-GOEBONIOSA-N -1 0 344.411 3.554 20 0 EHADRM C[C@@H](Nc1ncc(C(F)(F)F)s1)c1ccc(OCC(=O)[O-])cc1 ZINC000910466868 1038927792 /nfs/dbraw/zinc/92/77/92/1038927792.db2.gz NWAUZFSTVGTJNG-MRVPVSSYSA-N -1 0 346.330 3.798 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](Nc2cc(C3CC3)nc(C3CC3)n2)c2ccccc21 ZINC000910470852 1038930679 /nfs/dbraw/zinc/93/06/79/1038930679.db2.gz WIYSWHJFQWCQEI-WBVHZDCISA-N -1 0 335.407 3.957 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1coc(-c2ccccc2)n1 ZINC000910510364 1038940677 /nfs/dbraw/zinc/94/06/77/1038940677.db2.gz GKSMCRYRPLWXFV-UHFFFAOYSA-N -1 0 344.411 3.551 20 0 EHADRM C[C@H](CC(=O)N1CCc2cc(C(=O)[O-])ccc2C1)c1ccc(F)cc1 ZINC000910497299 1038944781 /nfs/dbraw/zinc/94/47/81/1038944781.db2.gz DVHCMRPNAAWAEY-CYBMUJFWSA-N -1 0 341.382 3.602 20 0 EHADRM Cc1nc2ccc(CN=c3[n-]nc(-c4ccccn4)s3)cc2s1 ZINC000432732373 1038952209 /nfs/dbraw/zinc/95/22/09/1038952209.db2.gz UYAGBXGNBGAZPZ-UHFFFAOYSA-N -1 0 339.449 3.552 20 0 EHADRM COc1ccc2oc(C(=O)N[C@@H](CC(=O)[O-])C3CCCC3)c(C)c2c1 ZINC000910572796 1038968311 /nfs/dbraw/zinc/96/83/11/1038968311.db2.gz VVLLWXWKTKGNIX-HNNXBMFYSA-N -1 0 345.395 3.513 20 0 EHADRM CCC[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1OCC)c1ccccn1 ZINC000910624872 1038992995 /nfs/dbraw/zinc/99/29/95/1038992995.db2.gz WHXQBLKGBPJCTN-CQSZACIVSA-N -1 0 342.395 3.701 20 0 EHADRM O=C([O-])c1cnc(-c2ccccc2)nc1/C=C/c1cccc2nccn21 ZINC000195503815 1039000480 /nfs/dbraw/zinc/00/04/80/1039000480.db2.gz NOEJQBPAVCMXBY-MDZDMXLPSA-N -1 0 342.358 3.660 20 0 EHADRM Cc1cc(NC(=O)CC2CCC(C(=O)[O-])CC2)nn1C1CCCCC1 ZINC000910659831 1039007275 /nfs/dbraw/zinc/00/72/75/1039007275.db2.gz CGLRVNXUWOPATI-UHFFFAOYSA-N -1 0 347.459 3.916 20 0 EHADRM Cc1cn(C2CCCCC2)nc1NC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000910647628 1039014954 /nfs/dbraw/zinc/01/49/54/1039014954.db2.gz HNYMLVJYTHELBU-BQYQJAHWSA-N -1 0 343.383 3.640 20 0 EHADRM Cc1cccc(C)c1NCC(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC000910699500 1039024363 /nfs/dbraw/zinc/02/43/63/1039024363.db2.gz CVNVMUUZRKQDGJ-UHFFFAOYSA-N -1 0 347.440 3.632 20 0 EHADRM CCCCS[C@@H](C)C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC000910698305 1039026270 /nfs/dbraw/zinc/02/62/70/1039026270.db2.gz BHCVJHUEMCUSKN-VIFPVBQESA-N -1 0 330.475 3.825 20 0 EHADRM COc1cccc([C@@H](C)C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)c1 ZINC000910699348 1039026307 /nfs/dbraw/zinc/02/63/07/1039026307.db2.gz OOSRYOFZUGGROB-SNVBAGLBSA-N -1 0 348.424 3.716 20 0 EHADRM CCCc1occc1C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910723711 1039032162 /nfs/dbraw/zinc/03/21/62/1039032162.db2.gz ZOHQXPXWUWNKQD-LBPRGKRZSA-N -1 0 348.424 3.673 20 0 EHADRM CCC[C@@H](C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC000236841727 1039052008 /nfs/dbraw/zinc/05/20/08/1039052008.db2.gz KBJIEIQUJCPOAK-RBUKOAKNSA-N -1 0 339.435 3.630 20 0 EHADRM CC(C)(CNC(=O)CCCc1cccc(C(F)(F)F)c1)CC(=O)[O-] ZINC000910831716 1039119569 /nfs/dbraw/zinc/11/95/69/1039119569.db2.gz TYTUYYWDOFKXKW-UHFFFAOYSA-N -1 0 345.361 3.645 20 0 EHADRM COc1cc(C)c(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl ZINC000432777777 1039127562 /nfs/dbraw/zinc/12/75/62/1039127562.db2.gz DRGNZNVVAOODLF-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ncco2)cc1)c1ccc(Cl)s1 ZINC000157685992 1039129916 /nfs/dbraw/zinc/12/99/16/1039129916.db2.gz HVOWUNKQSJJCCS-UHFFFAOYSA-N -1 0 340.813 3.857 20 0 EHADRM CC[C@@H](CC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)CC1)C(C)(C)C ZINC000911024260 1039189465 /nfs/dbraw/zinc/18/94/65/1039189465.db2.gz FZLMYJLEXXYOTA-NSHDSACASA-N -1 0 337.382 3.705 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(COC(C)(C)C)c2)oc1C(=O)[O-] ZINC000911081513 1039215527 /nfs/dbraw/zinc/21/55/27/1039215527.db2.gz FKRHYCNQPRUTKN-UHFFFAOYSA-N -1 0 331.368 3.854 20 0 EHADRM CC1(C)C[C@H](c2ccccc2)CN1C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000911062089 1039219847 /nfs/dbraw/zinc/21/98/47/1039219847.db2.gz NTTYOEZXCZTWPH-KLQCNHIUSA-N -1 0 339.391 3.786 20 0 EHADRM CC(C)(C)CC(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000236588905 1039221647 /nfs/dbraw/zinc/22/16/47/1039221647.db2.gz MWBZEPLMTPIJER-LBPRGKRZSA-N -1 0 342.233 3.517 20 0 EHADRM CC(C)CCC1CCN(C(=O)CCc2ccc(C(=O)[O-])cc2)CC1 ZINC000236691154 1039238467 /nfs/dbraw/zinc/23/84/67/1039238467.db2.gz MINYQEGHXMHDDC-UHFFFAOYSA-N -1 0 331.456 3.992 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C ZINC000236825639 1039263373 /nfs/dbraw/zinc/26/33/73/1039263373.db2.gz SAXKSDWGLLEAIK-HNNXBMFYSA-N -1 0 342.439 3.651 20 0 EHADRM Cc1cc(Br)cnc1Nc1cc(F)c(F)c(C(=O)[O-])c1 ZINC001215455503 1039279502 /nfs/dbraw/zinc/27/95/02/1039279502.db2.gz RUWBFZNJNQHNEY-UHFFFAOYSA-N -1 0 343.127 3.873 20 0 EHADRM O=C([O-])C1CCC(CC(=O)Nc2ccc(N3CCCC3)cc2)CC1 ZINC000911211627 1039285492 /nfs/dbraw/zinc/28/54/92/1039285492.db2.gz FLNSBNFSHRVKER-UHFFFAOYSA-N -1 0 330.428 3.506 20 0 EHADRM CCC(=O)c1cccc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC000911210848 1039286673 /nfs/dbraw/zinc/28/66/73/1039286673.db2.gz YFWMXRQKAIRMKY-UHFFFAOYSA-N -1 0 329.396 3.643 20 0 EHADRM CSCc1ccc(-c2noc(-c3cc(=O)[nH]c(C4CC4)n3)n2)cc1 ZINC000906101855 1039302720 /nfs/dbraw/zinc/30/27/20/1039302720.db2.gz NQKSNORNXBWMHC-UHFFFAOYSA-N -1 0 340.408 3.640 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)c(F)c1 ZINC000480210025 1039309827 /nfs/dbraw/zinc/30/98/27/1039309827.db2.gz QCOBMGHEKJYNDP-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)N2C[C@H](C)[C@H](C)[C@H]2C)s[n-]1 ZINC000417001788 1039312591 /nfs/dbraw/zinc/31/25/91/1039312591.db2.gz UBLHUPPQVJSXAG-GARJFASQSA-N -1 0 336.486 3.505 20 0 EHADRM Cc1ncc(C(=O)[O-])cc1C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 ZINC000911390860 1039342424 /nfs/dbraw/zinc/34/24/24/1039342424.db2.gz UIWUFNATMNIQOE-UHFFFAOYSA-N -1 0 340.379 3.569 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@H]2c2ccc(F)cc2C)oc1C(=O)[O-] ZINC000911397808 1039350679 /nfs/dbraw/zinc/35/06/79/1039350679.db2.gz DTTXOFQJYMQWGU-AWEZNQCLSA-N -1 0 331.343 3.711 20 0 EHADRM Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000911400769 1039353786 /nfs/dbraw/zinc/35/37/86/1039353786.db2.gz YOSDLIUBRKJGKP-HWYHOQROSA-N -1 0 343.354 3.802 20 0 EHADRM CCCNc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000911432098 1039361513 /nfs/dbraw/zinc/36/15/13/1039361513.db2.gz DIHXICQNCXKWLJ-MNOVXSKESA-N -1 0 344.333 3.577 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccccc1C ZINC000237656834 1039405604 /nfs/dbraw/zinc/40/56/04/1039405604.db2.gz HMIRIPHUZHWFDM-OAGGEKHMSA-N -1 0 343.448 3.801 20 0 EHADRM CCC[C@@H](CC)C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000911598119 1039426996 /nfs/dbraw/zinc/42/69/96/1039426996.db2.gz IUIMJAUDJXSWCX-CQSZACIVSA-N -1 0 332.444 3.614 20 0 EHADRM CCN(C)C(=O)N([C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1)C1CC1 ZINC000554533367 1039437175 /nfs/dbraw/zinc/43/71/75/1039437175.db2.gz COYWWWZEIOWIJZ-ZDUSSCGKSA-N -1 0 345.226 3.655 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)CCC1CCCCCC1)c1ccncc1 ZINC000911618923 1039438116 /nfs/dbraw/zinc/43/81/16/1039438116.db2.gz IYPPSLLYWOXDSC-IBGZPJMESA-N -1 0 332.444 3.638 20 0 EHADRM CC(C)(C(=O)Nc1ccc(O)c(C(F)(F)F)c1)C1CCOCC1 ZINC000480325381 1039444421 /nfs/dbraw/zinc/44/44/21/1039444421.db2.gz IWUZYPQRIZMQQK-UHFFFAOYSA-N -1 0 331.334 3.802 20 0 EHADRM Cc1cccc(Cl)c1CC(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000488887362 1039453650 /nfs/dbraw/zinc/45/36/50/1039453650.db2.gz YUAXYMGQOJIFEV-UHFFFAOYSA-N -1 0 349.868 3.832 20 0 EHADRM COc1cccc([C@H](C)CC(=O)Nc2cc(C(=O)[O-])c(C)cc2F)c1 ZINC000911680238 1039455324 /nfs/dbraw/zinc/45/53/24/1039455324.db2.gz CGNCUTWQJCWVHN-LLVKDONJSA-N -1 0 345.370 3.973 20 0 EHADRM Cc1cc(F)c(NC(=O)Cc2cccc(OC(C)C)c2)cc1C(=O)[O-] ZINC000911681357 1039455370 /nfs/dbraw/zinc/45/53/70/1039455370.db2.gz KQEXERDULSMQDC-UHFFFAOYSA-N -1 0 345.370 3.801 20 0 EHADRM Cc1cc(F)c(NC(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)cc1C(=O)[O-] ZINC000911685713 1039460323 /nfs/dbraw/zinc/46/03/23/1039460323.db2.gz FLQYSFXZMAWJLR-MLGOLLRUSA-N -1 0 337.391 3.612 20 0 EHADRM Cc1cc(F)c(NC(=O)C[C@H]2CCO[C@@H](C(C)C)C2)cc1C(=O)[O-] ZINC000911685711 1039460592 /nfs/dbraw/zinc/46/05/92/1039460592.db2.gz FLQYSFXZMAWJLR-BLLLJJGKSA-N -1 0 337.391 3.612 20 0 EHADRM Cc1nc(CCCC(=O)Nc2cc(C(=O)[O-])c(C)cc2F)cs1 ZINC000911690442 1039462524 /nfs/dbraw/zinc/46/25/24/1039462524.db2.gz WKFTWQAXZSEFNN-UHFFFAOYSA-N -1 0 336.388 3.559 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)NC12CCC(C(F)(F)F)(CC1)CC2 ZINC000911698383 1039467634 /nfs/dbraw/zinc/46/76/34/1039467634.db2.gz OSOFTJCKBLQYEH-UHFFFAOYSA-N -1 0 345.317 3.671 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)cc1 ZINC000238047752 1039479889 /nfs/dbraw/zinc/47/98/89/1039479889.db2.gz ZRNDQPUJWGKJAA-CVEARBPZSA-N -1 0 345.345 3.724 20 0 EHADRM O=C([O-])CCCC(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000911741681 1039480487 /nfs/dbraw/zinc/48/04/87/1039480487.db2.gz OCTCZVBPWIEIQS-XYPYZODXSA-N -1 0 330.211 3.611 20 0 EHADRM COc1cccc(-n2nc(C)cc2Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001211652981 1039493800 /nfs/dbraw/zinc/49/38/00/1039493800.db2.gz VBNMIFHPLPDTOZ-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM CCCc1nnc(NC(=O)c2c(C)onc2-c2cccc(F)c2)s1 ZINC000906368326 1039514859 /nfs/dbraw/zinc/51/48/59/1039514859.db2.gz SNLTUXMAXVVBIE-UHFFFAOYSA-N -1 0 346.387 3.845 20 0 EHADRM CCC(CC)c1nnc(NC(=O)c2n[nH]c(C)c2C(F)(F)F)s1 ZINC000906367532 1039514939 /nfs/dbraw/zinc/51/49/39/1039514939.db2.gz LQTONNWSCZEANI-UHFFFAOYSA-N -1 0 347.366 3.744 20 0 EHADRM Cc1cc2[nH]c(CN=c3[n-]nc(C(F)(F)F)s3)cc2c(C)c1 ZINC000478608945 1039564386 /nfs/dbraw/zinc/56/43/86/1039564386.db2.gz FJJYAZIGQILSFP-UHFFFAOYSA-N -1 0 326.347 3.689 20 0 EHADRM CCc1nc(C)c(CN=c2[n-]nc(Cc3ccc(Cl)cc3)s2)o1 ZINC000489030475 1039566598 /nfs/dbraw/zinc/56/65/98/1039566598.db2.gz XZWXSPGEUSRSEA-UHFFFAOYSA-N -1 0 348.859 3.675 20 0 EHADRM COc1c(NC(=O)C2CCc3ccccc3CC2)cccc1C(=O)[O-] ZINC000906504024 1039620686 /nfs/dbraw/zinc/62/06/86/1039620686.db2.gz ZPPVELGUDRFLJF-UHFFFAOYSA-N -1 0 339.391 3.527 20 0 EHADRM CC[C@@H](C)c1ncc([N-]S(=O)(=O)c2cccc3ccccc32)cn1 ZINC000478682521 1039636969 /nfs/dbraw/zinc/63/69/69/1039636969.db2.gz QXYDWXORHGMKSP-CYBMUJFWSA-N -1 0 341.436 3.944 20 0 EHADRM CC(C)C[C@@H]1C[C@H](N=c2[n-]nc(Cc3ccccc3)s2)CCO1 ZINC000554734707 1039650391 /nfs/dbraw/zinc/65/03/91/1039650391.db2.gz LTQAGEPMRGMYKO-HZPDHXFCSA-N -1 0 331.485 3.556 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCc2cc(Cl)ccc21 ZINC000552957965 1039668424 /nfs/dbraw/zinc/66/84/24/1039668424.db2.gz VGKFOQBQNSNTGC-UHFFFAOYSA-N -1 0 327.689 3.666 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000912104216 1039687898 /nfs/dbraw/zinc/68/78/98/1039687898.db2.gz XPUVWVRPBKVBIS-FUHWJXTLSA-N -1 0 345.826 3.774 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1occc1-c1ccccc1)Cc1ccccc1 ZINC000485946594 1039709940 /nfs/dbraw/zinc/70/99/40/1039709940.db2.gz LAVKLNKQMNQYJH-KRWDZBQOSA-N -1 0 349.386 3.620 20 0 EHADRM CC[C@H](C(=O)[O-])[S@@](=O)Cc1nc(-c2ccccc2Cl)cs1 ZINC000570375559 1039719032 /nfs/dbraw/zinc/71/90/32/1039719032.db2.gz AEVPWRDWRVVKAK-GTJPDFRWSA-N -1 0 343.857 3.575 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)[N-]OCc1cccc(C)n1 ZINC000898936142 1039740610 /nfs/dbraw/zinc/74/06/10/1039740610.db2.gz NVQXAWIKLIITRR-AWEZNQCLSA-N -1 0 328.412 3.530 20 0 EHADRM COC[C@H](N=c1nc(C(C)(C)C)[n-]s1)c1ccc(Cl)cc1 ZINC000486007314 1039781612 /nfs/dbraw/zinc/78/16/12/1039781612.db2.gz SEFFIQRYENGNSS-LBPRGKRZSA-N -1 0 325.865 3.711 20 0 EHADRM C[C@H](C[C@H]1CCCO1)N=c1[n-]nc(Cc2ccc(Cl)cc2)s1 ZINC000489313865 1039826975 /nfs/dbraw/zinc/82/69/75/1039826975.db2.gz JELDOHZHGBBJRX-BXUZGUMPSA-N -1 0 337.876 3.574 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N[C@H](C)c2ccccc2Cl)s1 ZINC000486143901 1039917489 /nfs/dbraw/zinc/91/74/89/1039917489.db2.gz MQLZALDIFKXPCQ-MRVPVSSYSA-N -1 0 342.877 3.608 20 0 EHADRM Cc1cc2sc(NC(=O)c3c(F)ccc(O)c3F)nc2cc1F ZINC000554897148 1039922594 /nfs/dbraw/zinc/92/25/94/1039922594.db2.gz TZUSGNUKLPGBIM-UHFFFAOYSA-N -1 0 338.310 3.980 20 0 EHADRM CCc1ncsc1[N-]S(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000479123844 1039993970 /nfs/dbraw/zinc/99/39/70/1039993970.db2.gz OBMCGCBUPNWJTM-UHFFFAOYSA-N -1 0 340.470 3.541 20 0 EHADRM CCc1cnc(CN[C@@H](C(=O)[O-])c2c(Cl)cccc2Cl)s1 ZINC000417564228 1040012497 /nfs/dbraw/zinc/01/24/97/1040012497.db2.gz OHZAGQTZJWPTOM-CYBMUJFWSA-N -1 0 345.251 3.928 20 0 EHADRM O=C(N=c1nc(-c2ccccc2)[n-]s1)Nc1ccc(O)c(Cl)c1 ZINC000486247122 1040015639 /nfs/dbraw/zinc/01/56/39/1040015639.db2.gz YRDKUFCLVDYXTR-UHFFFAOYSA-N -1 0 346.799 3.630 20 0 EHADRM COCc1ccc(CNc2cccc(C(=O)[O-])c2OC(C)C)cc1 ZINC000417588739 1040042572 /nfs/dbraw/zinc/04/25/72/1040042572.db2.gz PLAZEECRHJUXCV-UHFFFAOYSA-N -1 0 329.396 3.931 20 0 EHADRM Cc1c2cccc(Cl)c2sc1CN[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000417594769 1040046374 /nfs/dbraw/zinc/04/63/74/1040046374.db2.gz MVRMXLQHGMTAAR-CQSZACIVSA-N -1 0 349.843 3.512 20 0 EHADRM COc1cc(C)c(CNc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1OC ZINC000417607039 1040057429 /nfs/dbraw/zinc/05/74/29/1040057429.db2.gz FTNIJVOUUYSJRB-CQSZACIVSA-N -1 0 343.423 3.888 20 0 EHADRM C[C@@H](Cc1ccc(NCc2cnc([C@@H]3CCCO3)s2)cc1)C(=O)[O-] ZINC000417610885 1040062058 /nfs/dbraw/zinc/06/20/58/1040062058.db2.gz ODDKNYMVSJVEDB-LRDDRELGSA-N -1 0 346.452 3.870 20 0 EHADRM Fc1ccc2cc(CN=c3[n-]nc(CC4CCCCC4)o3)[nH]c2c1 ZINC000486317581 1040063737 /nfs/dbraw/zinc/06/37/37/1040063737.db2.gz HQZVNERLLLSTEK-UHFFFAOYSA-N -1 0 328.391 3.847 20 0 EHADRM CC[C@@H](Cc1ccc(NCc2cnn(CC(C)C)c2)cc1)C(=O)[O-] ZINC000417614881 1040084464 /nfs/dbraw/zinc/08/44/64/1040084464.db2.gz WDXNZDFTZUEZDK-KRWDZBQOSA-N -1 0 329.444 3.805 20 0 EHADRM CCOc1cc(CNc2ccc(C[C@@H](C)C(=O)[O-])cc2)ccc1OC ZINC000417615435 1040085462 /nfs/dbraw/zinc/08/54/62/1040085462.db2.gz XNGHUIAYZDDKED-CQSZACIVSA-N -1 0 343.423 3.969 20 0 EHADRM CC(C)=CCSC[C@H](NCc1cc2cc(F)ccc2o1)C(=O)[O-] ZINC000417628582 1040107553 /nfs/dbraw/zinc/10/75/53/1040107553.db2.gz QXTSYSHIVONQIR-HNNXBMFYSA-N -1 0 337.416 3.814 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)c2ccccc2C2(C)CC2)sc1C(=O)[O-] ZINC000907630501 1040110772 /nfs/dbraw/zinc/11/07/72/1040110772.db2.gz YIPAGTRKFMFDMT-LLVKDONJSA-N -1 0 344.436 3.692 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1ccccc1C1CCC1)c1ccc(F)cc1 ZINC000907659730 1040119770 /nfs/dbraw/zinc/11/97/70/1040119770.db2.gz QHHNDTYZTUOSGH-GOSISDBHSA-N -1 0 341.382 3.691 20 0 EHADRM CC(C)(C)c1cnc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2F)s1 ZINC000575326384 1040132690 /nfs/dbraw/zinc/13/26/90/1040132690.db2.gz RFELXINNTIOHQY-CQSZACIVSA-N -1 0 340.395 3.634 20 0 EHADRM C[C@H](Sc1ccc(NCc2cnc(C(C)(C)C)nc2)cc1)C(=O)[O-] ZINC000417664700 1040140843 /nfs/dbraw/zinc/14/08/43/1040140843.db2.gz YWZAAKLVFMQWQF-LBPRGKRZSA-N -1 0 345.468 3.951 20 0 EHADRM CC[C@@H](CNC(=O)c1ccc([O-])c(Cl)c1)Oc1cccc(C)c1 ZINC000489751703 1040171015 /nfs/dbraw/zinc/17/10/15/1040171015.db2.gz IMDPIJKJHPEKKJ-AWEZNQCLSA-N -1 0 333.815 3.941 20 0 EHADRM CSc1ccc(N(C)C(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)cc1 ZINC000907813786 1040180935 /nfs/dbraw/zinc/18/09/35/1040180935.db2.gz LFJRNDZPTZGFPP-QFBILLFUSA-N -1 0 341.432 3.630 20 0 EHADRM C[C@H](CC(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@H]12)Cc1ccc(Cl)cc1 ZINC000907938703 1040237845 /nfs/dbraw/zinc/23/78/45/1040237845.db2.gz DDIYZAFNLIGPBF-OHYFQZGNSA-N -1 0 349.858 3.524 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2nc3cc(F)ccc3[nH]2)c1 ZINC000486560059 1040245600 /nfs/dbraw/zinc/24/56/00/1040245600.db2.gz AWWZIGOHGGAQGI-UHFFFAOYSA-N -1 0 333.388 3.626 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@H]23)c1 ZINC000907961349 1040246318 /nfs/dbraw/zinc/24/63/18/1040246318.db2.gz VBQORXGHWSHPQF-QWQQUQAHSA-N -1 0 343.467 3.604 20 0 EHADRM O=C(N[C@H]1CCOc2c(F)cccc21)c1ccc2[n-]c(=S)oc2c1 ZINC000189625129 1040267091 /nfs/dbraw/zinc/26/70/91/1040267091.db2.gz MDZXIQHVBSFNKA-LBPRGKRZSA-N -1 0 344.367 3.509 20 0 EHADRM Cc1oc2ccccc2c1CN=c1[n-]nc(C2CCOCC2)s1 ZINC000555193456 1040267126 /nfs/dbraw/zinc/26/71/26/1040267126.db2.gz DUQWHNHLBQYZLS-UHFFFAOYSA-N -1 0 329.425 3.521 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(C3(C)CCCC3)on2)c1 ZINC000432957744 1040271517 /nfs/dbraw/zinc/27/15/17/1040271517.db2.gz CJWMWNRTZICFLT-UHFFFAOYSA-N -1 0 338.404 3.755 20 0 EHADRM C[C@@H]1CN(C(=O)c2csc(C3CCCCC3)c2)CC[C@@H]1C(=O)[O-] ZINC000899296004 1040275147 /nfs/dbraw/zinc/27/51/47/1040275147.db2.gz RVHRUXHTEVHGLV-DOMZBBRYSA-N -1 0 335.469 3.979 20 0 EHADRM C[C@H](C(=O)N(C)c1cccc(CC(=O)[O-])c1)c1ccc(Cl)s1 ZINC000908078802 1040290706 /nfs/dbraw/zinc/29/07/06/1040290706.db2.gz CYCUORMSCMQZCX-JTQLQIEISA-N -1 0 337.828 3.795 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)c1ccc(C(=O)[O-])cc1F)C(C)(C)C ZINC000908118402 1040296899 /nfs/dbraw/zinc/29/68/99/1040296899.db2.gz BRNFWWLHMUJRBY-INIZCTEOSA-N -1 0 344.386 3.745 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)c3csc(C4CCCCC4)c3)C[C@@H]21 ZINC000899299308 1040301179 /nfs/dbraw/zinc/30/11/79/1040301179.db2.gz VAABXAYAWBCGFU-IJEWVQPXSA-N -1 0 333.453 3.589 20 0 EHADRM COc1cc(C)c(S(=O)(=O)Nc2ccc(C)nc2C)cc1C(C)C ZINC000432972340 1040333942 /nfs/dbraw/zinc/33/39/42/1040333942.db2.gz RETLZIUMVZKFQM-UHFFFAOYSA-N -1 0 348.468 3.940 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)c(F)c1 ZINC000479545671 1040355086 /nfs/dbraw/zinc/35/50/86/1040355086.db2.gz WJNYQDWOJBQWBF-VXGBXAGGSA-N -1 0 335.281 3.544 20 0 EHADRM Cc1cc2ccccc2nc1-n1[n-]c(C2CC2)c(C(F)(F)F)c1=O ZINC000899352769 1040358944 /nfs/dbraw/zinc/35/89/44/1040358944.db2.gz OTYBVXNHZVPMPG-CYBMUJFWSA-N -1 0 333.313 3.834 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1ccc(C(F)F)cc1F)CC1CCCC1 ZINC000908289365 1040383577 /nfs/dbraw/zinc/38/35/77/1040383577.db2.gz HOLGUUOIHLSZFT-GFCCVEGCSA-N -1 0 343.345 3.774 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(C(=O)[O-])cc2F)o1 ZINC000479563850 1040387855 /nfs/dbraw/zinc/38/78/55/1040387855.db2.gz CBJBSBZRDRLAPY-GWNIPJSYSA-N -1 0 343.354 3.983 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)c2ccc(C(F)F)cc2F)CCC1 ZINC000908339067 1040398692 /nfs/dbraw/zinc/39/86/92/1040398692.db2.gz WVPMIBZKFAQYGW-UHFFFAOYSA-N -1 0 343.345 3.918 20 0 EHADRM COc1ccc(Nc2cc(Br)cc(F)c2O)c(CO)c1 ZINC001211749244 1040400492 /nfs/dbraw/zinc/40/04/92/1040400492.db2.gz FTEIZLVSDRSGBW-UHFFFAOYSA-N -1 0 342.164 3.538 20 0 EHADRM Cc1ccccc1C1(C(=O)N[C@@H]2CC[C@H](CC(=O)[O-])C2)CCCC1 ZINC000908376417 1040419730 /nfs/dbraw/zinc/41/97/30/1040419730.db2.gz NRZJPCKBYHMAKS-JKSUJKDBSA-N -1 0 329.440 3.566 20 0 EHADRM Cc1coc(C(=O)N[C@H](CC(=O)[O-])c2ccc(C(F)(F)F)cc2)c1 ZINC000908418797 1040442421 /nfs/dbraw/zinc/44/24/21/1040442421.db2.gz JNCSJYZOPGQGSX-GFCCVEGCSA-N -1 0 341.285 3.553 20 0 EHADRM COc1c(NC(=O)C2CC(c3ccc(F)cc3)C2)cccc1C(=O)[O-] ZINC000908500114 1040481590 /nfs/dbraw/zinc/48/15/90/1040481590.db2.gz GHXMIWBXPGAJTM-UHFFFAOYSA-N -1 0 343.354 3.665 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)Nc2cccc(C(=O)[O-])c2OC)cc1 ZINC000908506257 1040496888 /nfs/dbraw/zinc/49/68/88/1040496888.db2.gz DIHIZXWSFRHUGQ-GFCCVEGCSA-N -1 0 327.380 3.698 20 0 EHADRM CC(C)(CC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1)CC(F)(F)F ZINC000908609017 1040532292 /nfs/dbraw/zinc/53/22/92/1040532292.db2.gz OOJKHTKQYVWHQM-GFCCVEGCSA-N -1 0 349.324 3.826 20 0 EHADRM Cc1ccc(C)c([C@@H](C)N(C)C(=O)N=c2[n-]nc(C3CC3)s2)c1 ZINC000555416786 1040566220 /nfs/dbraw/zinc/56/62/20/1040566220.db2.gz BBRVNQMXMYSFJD-GFCCVEGCSA-N -1 0 330.457 3.679 20 0 EHADRM O=C([O-])c1nc(C(=O)Nc2ccccc2Oc2ccccc2)cs1 ZINC000908696043 1040580147 /nfs/dbraw/zinc/58/01/47/1040580147.db2.gz IQDXNDDEOTULRH-UHFFFAOYSA-N -1 0 340.360 3.886 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@H]3CCc4cc(Cl)ccc43)(CC1)CC2 ZINC000908750397 1040628751 /nfs/dbraw/zinc/62/87/51/1040628751.db2.gz GBECVLGGYFOTRM-MNNVXMFVSA-N -1 0 347.842 3.869 20 0 EHADRM O=C([O-])c1ccc2oc(/C=C/c3ccc(-n4cccn4)cc3)nc2c1 ZINC000555464611 1040630496 /nfs/dbraw/zinc/63/04/96/1040630496.db2.gz MIIMSXKAOGIVLV-RUDMXATFSA-N -1 0 331.331 3.882 20 0 EHADRM Cc1c(NC(=O)C[C@H]2CCc3sccc3C2=O)cccc1C(=O)[O-] ZINC000908842150 1040676471 /nfs/dbraw/zinc/67/64/71/1040676471.db2.gz QIPJTTYXVDBIDP-LLVKDONJSA-N -1 0 343.404 3.529 20 0 EHADRM CC/C(C)=C/C(=O)N[C@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000908858505 1040693104 /nfs/dbraw/zinc/69/31/04/1040693104.db2.gz WSYGJKMZFDQNQZ-AORWBKJGSA-N -1 0 345.317 3.574 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(NCc2ccsc2)cc1 ZINC000909054398 1040779210 /nfs/dbraw/zinc/77/92/10/1040779210.db2.gz NPSGMUDJCQVHLR-GOSISDBHSA-N -1 0 346.452 3.733 20 0 EHADRM CCC(CC)n1ccc(C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)n1 ZINC000909097866 1040799961 /nfs/dbraw/zinc/79/99/61/1040799961.db2.gz WBJNKSDNVQRQMC-YFHOEESVSA-N -1 0 327.384 3.594 20 0 EHADRM C[C@@H](NC(=O)N=c1ncn(C2CCCCC2)[n-]1)c1cccc(Cl)c1 ZINC000487224521 1040810750 /nfs/dbraw/zinc/81/07/50/1040810750.db2.gz DGRDDNHLCWIALM-GFCCVEGCSA-N -1 0 347.850 3.741 20 0 EHADRM CC1(C)CC[C@@H]1C(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC000659157251 1040845808 /nfs/dbraw/zinc/84/58/08/1040845808.db2.gz RGYAXXNIKRPKJJ-QGZVFWFLSA-N -1 0 329.440 3.602 20 0 EHADRM Cc1ccsc1CCCC(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000909163372 1040857226 /nfs/dbraw/zinc/85/72/26/1040857226.db2.gz DTOATXNMLVHSHD-UHFFFAOYSA-N -1 0 347.436 3.790 20 0 EHADRM CCc1ccc(-c2cccc(CO[C@@H]3CCOC3)c2)cc1C(=O)[O-] ZINC000899633390 1040885386 /nfs/dbraw/zinc/88/53/86/1040885386.db2.gz WKJHHLGZZNFWBN-GOSISDBHSA-N -1 0 326.392 3.920 20 0 EHADRM Cc1ccsc1CCCC(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000909251082 1040898834 /nfs/dbraw/zinc/89/88/34/1040898834.db2.gz UZRSNKONOMHZBR-MRXNPFEDSA-N -1 0 345.464 3.672 20 0 EHADRM CC(C)(CC(=O)N[C@](C)(CC(=O)[O-])c1cccc(F)c1)CC(F)F ZINC000909679059 1040929719 /nfs/dbraw/zinc/92/97/19/1040929719.db2.gz DPESCBTZSWLISR-QGZVFWFLSA-N -1 0 345.361 3.703 20 0 EHADRM CC[C@H](CN(CC)C(=O)N=c1ncn(C(C)(C)C)[n-]1)c1ccccc1 ZINC000481488873 1040964953 /nfs/dbraw/zinc/96/49/53/1040964953.db2.gz GNNSLYGOJDDIIL-OAHLLOKOSA-N -1 0 343.475 3.503 20 0 EHADRM CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000237018476 1041000237 /nfs/dbraw/zinc/00/02/37/1041000237.db2.gz ZQJZYAYBFIFAQT-YHVDPYDOSA-N -1 0 343.354 3.720 20 0 EHADRM CC(C)(C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1)C(F)F ZINC000909848763 1041026235 /nfs/dbraw/zinc/02/62/35/1041026235.db2.gz WRFZVIMVEGRJPK-UHFFFAOYSA-N -1 0 340.370 3.605 20 0 EHADRM Cc1ccsc1CCCC(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC000909867160 1041039917 /nfs/dbraw/zinc/03/99/17/1041039917.db2.gz ZMGCEJASEJGSFT-UHFFFAOYSA-N -1 0 343.448 3.662 20 0 EHADRM CCCCN(CC)C(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1 ZINC000481559729 1041072793 /nfs/dbraw/zinc/07/27/93/1041072793.db2.gz UQOVSXGQOJRAMB-UHFFFAOYSA-N -1 0 338.864 3.934 20 0 EHADRM Cc1cc(F)ccc1C[C@@H](C)NC(=O)c1ccccc1CCC(=O)[O-] ZINC000909943006 1041073372 /nfs/dbraw/zinc/07/33/72/1041073372.db2.gz FUECXGLLVBMHON-CQSZACIVSA-N -1 0 343.398 3.512 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2ccc(C)c(C)c2Cl)n1 ZINC000909952475 1041080776 /nfs/dbraw/zinc/08/07/76/1041080776.db2.gz FSUOISZTUWOZCZ-CYBMUJFWSA-N -1 0 349.818 3.831 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)Nc1cccc(OC)c1 ZINC000555760380 1041099304 /nfs/dbraw/zinc/09/93/04/1041099304.db2.gz SLTIVEDDZGPNMG-QGZVFWFLSA-N -1 0 342.395 3.765 20 0 EHADRM CSc1cccc(C)c1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-] ZINC000899779856 1041102513 /nfs/dbraw/zinc/10/25/13/1041102513.db2.gz FKWOTXQNVWIQRZ-MCTLKSGKSA-N -1 0 331.437 3.568 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)N[C@H](C)c1nc2ccccc2s1 ZINC000899771555 1041108545 /nfs/dbraw/zinc/10/85/45/1041108545.db2.gz SENLYVKVFPXKMX-NEPJUHHUSA-N -1 0 334.441 3.611 20 0 EHADRM Cc1ccc(-c2ncco2)cc1NC(=O)[C@@H](CC(=O)[O-])CC(C)C ZINC000899774262 1041109650 /nfs/dbraw/zinc/10/96/50/1041109650.db2.gz CRVNCUPUONNDMP-CQSZACIVSA-N -1 0 330.384 3.726 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000899772779 1041109668 /nfs/dbraw/zinc/10/96/68/1041109668.db2.gz XFDXXMLGGJTWCP-AWEZNQCLSA-N -1 0 342.395 3.949 20 0 EHADRM Cc1c(NCC(C)(C)C)cccc1C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000909989000 1041124900 /nfs/dbraw/zinc/12/49/00/1041124900.db2.gz NJGVQYKFHJVRQI-HIFRSBDPSA-N -1 0 346.471 3.636 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)NCc1csc(C(F)(F)F)c1 ZINC000899795222 1041146919 /nfs/dbraw/zinc/14/69/19/1041146919.db2.gz VLRNHJASWKBMRN-JTQLQIEISA-N -1 0 337.363 3.520 20 0 EHADRM Cc1ccc([C@H](CC(=O)N[C@@H](c2cccs2)C2CC2)C(=O)[O-])cc1 ZINC000899796661 1041149185 /nfs/dbraw/zinc/14/91/85/1041149185.db2.gz NVWHFDNPTGTUCC-MAUKXSAKSA-N -1 0 343.448 3.882 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000614318953 1041165091 /nfs/dbraw/zinc/16/50/91/1041165091.db2.gz QPCGKTCNOXLNNK-IMJJTQAJSA-N -1 0 337.847 3.591 20 0 EHADRM Cc1ccc([C@H](CC(=O)N[C@H](CF)c2ccc(F)cc2)C(=O)[O-])cc1 ZINC000899833814 1041179490 /nfs/dbraw/zinc/17/94/90/1041179490.db2.gz OZHPIPBEGGVEBV-DLBZAZTESA-N -1 0 347.361 3.519 20 0 EHADRM CC1(C)CCC[C@H](C(=O)N2CCC[C@@H]2c2nc(C(=O)[O-])cs2)C1 ZINC000910106073 1041193124 /nfs/dbraw/zinc/19/31/24/1041193124.db2.gz FZOWESVDTJYEPO-WCQYABFASA-N -1 0 336.457 3.721 20 0 EHADRM C/C(=C/C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])cs1)c1ccccc1 ZINC000910111379 1041194357 /nfs/dbraw/zinc/19/43/57/1041194357.db2.gz DLGHHGFEFYUYCF-WQTVUKCASA-N -1 0 342.420 3.608 20 0 EHADRM CC[C@](C)(CC(=O)[O-])C(=O)Nc1ccccc1Oc1ccccn1 ZINC000899843689 1041204496 /nfs/dbraw/zinc/20/44/96/1041204496.db2.gz VXXNOZMKKGIMRG-GOSISDBHSA-N -1 0 328.368 3.703 20 0 EHADRM O=C([O-])CN(C(=O)NCC1CCC(c2ccccc2)CC1)C1CCC1 ZINC000555844188 1041213524 /nfs/dbraw/zinc/21/35/24/1041213524.db2.gz CCCBXZJRDFHRSR-UHFFFAOYSA-N -1 0 344.455 3.609 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)N[C@@H](c1ccncc1)C1CC1)C1CCCCC1 ZINC000899854212 1041236068 /nfs/dbraw/zinc/23/60/68/1041236068.db2.gz HAWJUQOUAGMMIL-UYAOXDASSA-N -1 0 344.455 3.710 20 0 EHADRM COc1cc([C@H](C)NC(=O)[C@H]2CCC[C@H]2C(=O)[O-])cc2ccccc21 ZINC000899857322 1041240239 /nfs/dbraw/zinc/24/02/39/1041240239.db2.gz XJTWOLHNXNWLSP-AFAVFJNCSA-N -1 0 341.407 3.527 20 0 EHADRM C/C=C/C[C@H](NC(=O)Nc1cccc(-c2nc(C)cs2)c1)C(=O)[O-] ZINC000555851604 1041241810 /nfs/dbraw/zinc/24/18/10/1041241810.db2.gz IFQLTKFIVIFXNM-XGACYXMMSA-N -1 0 345.424 3.659 20 0 EHADRM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)N=c2[n-]nc(C3CC3)s2)C1 ZINC000555884153 1041297003 /nfs/dbraw/zinc/29/70/03/1041297003.db2.gz CLVOVHMUOAUWGF-YGRLFVJLSA-N -1 0 346.431 3.592 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)c2ccc(OC(C)(C)C)cc2)s1 ZINC000429962013 1041406146 /nfs/dbraw/zinc/40/61/46/1041406146.db2.gz GZOFIWZZVDDULC-UHFFFAOYSA-N -1 0 333.457 3.588 20 0 EHADRM OC[C@@H](N=c1nc(-c2ccccc2)[n-]s1)c1cccc(Cl)c1F ZINC000513050005 1041426466 /nfs/dbraw/zinc/42/64/66/1041426466.db2.gz CEYRGLDKUBETCE-CYBMUJFWSA-N -1 0 349.818 3.565 20 0 EHADRM CN(C(=O)N=c1[n-]nc(-c2ccsc2)s1)[C@@H]1CCC(C)(C)C1 ZINC000431984871 1041456105 /nfs/dbraw/zinc/45/61/05/1041456105.db2.gz DHNROFWOTPSUCK-LLVKDONJSA-N -1 0 336.486 3.731 20 0 EHADRM O=C(N=c1nc(-c2ccsc2)[n-]s1)C(C1CCC1)C1CCC1 ZINC000511723190 1041480043 /nfs/dbraw/zinc/48/00/43/1041480043.db2.gz PLVGPYRSRNBFNU-UHFFFAOYSA-N -1 0 333.482 3.843 20 0 EHADRM C[C@@H]1CN(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)CCc2ccc(Cl)cc21 ZINC000652092356 1041591059 /nfs/dbraw/zinc/59/10/59/1041591059.db2.gz KGANPPZCTWILJB-SNPRPXQTSA-N -1 0 349.858 3.719 20 0 EHADRM C[C@]1(NC(=O)C[C@@H]2CCCc3ccccc32)CCCC[C@H]1C(=O)[O-] ZINC000432109984 1041604244 /nfs/dbraw/zinc/60/42/44/1041604244.db2.gz UXCPTFYTVPZKLI-KNBMTAEXSA-N -1 0 329.440 3.646 20 0 EHADRM O=C([O-])c1coc(C(=O)NCC2(Cc3ccccc3)CCCC2)c1 ZINC000432112128 1041607615 /nfs/dbraw/zinc/60/76/15/1041607615.db2.gz YDETXUWIDOVNNI-UHFFFAOYSA-N -1 0 327.380 3.511 20 0 EHADRM Cc1cccc([C@H](C)C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000432126747 1041625804 /nfs/dbraw/zinc/62/58/04/1041625804.db2.gz OLZXSENQQCTIAI-LPHOPBHVSA-N -1 0 339.435 3.691 20 0 EHADRM O=C([O-])CC1(NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)CC1 ZINC000652119093 1041647133 /nfs/dbraw/zinc/64/71/33/1041647133.db2.gz KYAKJUKHQGXHKY-UHFFFAOYSA-N -1 0 335.812 3.806 20 0 EHADRM Cc1c2cccc(C)c2oc1CN(C)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000652121672 1041658187 /nfs/dbraw/zinc/65/81/87/1041658187.db2.gz QSZGDSQAYINPBQ-UHFFFAOYSA-N -1 0 343.423 3.899 20 0 EHADRM Cc1oc2ccc(NC(=O)N3CCC(C)(C(=O)[O-])CC3)cc2c1C ZINC000647700013 1041777814 /nfs/dbraw/zinc/77/78/14/1041777814.db2.gz PKNXTKYKPVZSJV-UHFFFAOYSA-N -1 0 330.384 3.768 20 0 EHADRM O=S(=O)(N[C@H]1CCc2c1cccc2Cl)c1ccc(F)cc1F ZINC000511880459 1041841480 /nfs/dbraw/zinc/84/14/80/1041841480.db2.gz VLFUXSDQQZTUQH-AWEZNQCLSA-N -1 0 343.782 3.584 20 0 EHADRM CC(C)c1ccc(-c2ncc(CN(C)Cc3n[n-]c(=O)o3)s2)cc1 ZINC000660849534 1041847639 /nfs/dbraw/zinc/84/76/39/1041847639.db2.gz JBEIUIWIRSEAMP-UHFFFAOYSA-N -1 0 344.440 3.654 20 0 EHADRM c1ccc(C[C@H]2CCC[C@H]2N=c2[n-]nc(C3CCOCC3)s2)cc1 ZINC000549524684 1041889558 /nfs/dbraw/zinc/88/95/58/1041889558.db2.gz NYCLCIUKNDKYCV-IAGOWNOFSA-N -1 0 343.496 3.677 20 0 EHADRM CCCCCC[C@](C)(NC(=O)[C@H]1C[C@@H]1c1cccc(OC)c1)C(=O)[O-] ZINC000236728486 1042166521 /nfs/dbraw/zinc/16/65/21/1042166521.db2.gz OGYMKSBKAGVBEN-UWVAXJGDSA-N -1 0 347.455 3.729 20 0 EHADRM O=C(NCCSc1ccccc1)c1cc(F)c([O-])c(Cl)c1 ZINC000184192509 1042225879 /nfs/dbraw/zinc/22/58/79/1042225879.db2.gz XQJZHFPWBXMZLD-UHFFFAOYSA-N -1 0 325.792 3.707 20 0 EHADRM CSc1ccccc1CC(=O)N[C@@H](CC(=O)[O-])c1ccccc1C ZINC000909371488 1042251657 /nfs/dbraw/zinc/25/16/57/1042251657.db2.gz HWEYXRQAZIBNNL-INIZCTEOSA-N -1 0 343.448 3.592 20 0 EHADRM COc1c(F)cc(NC(=O)c2cc(F)c([O-])c(Cl)c2)cc1F ZINC000184296532 1042428535 /nfs/dbraw/zinc/42/85/35/1042428535.db2.gz BQAWSEJZNUEVER-UHFFFAOYSA-N -1 0 331.677 3.724 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000663091375 1042440263 /nfs/dbraw/zinc/44/02/63/1042440263.db2.gz WLGPQDJMOFCPFG-LBPRGKRZSA-N -1 0 331.334 3.867 20 0 EHADRM O=C(Nc1cccc(Br)c1)c1c([O-])cc(F)cc1F ZINC000049447082 1042465136 /nfs/dbraw/zinc/46/51/36/1042465136.db2.gz LLVGTPJMPQXXQE-UHFFFAOYSA-N -1 0 328.112 3.685 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1Cl)N1CCSC[C@H]1CC(=O)[O-] ZINC000251438053 1042541443 /nfs/dbraw/zinc/54/14/43/1042541443.db2.gz ABOLKOAWOIYOGD-GXSJLCMTSA-N -1 0 334.268 3.947 20 0 EHADRM CC(C)(CNC(=O)CC1(C(=O)[O-])CCCCCC1)CC(F)(F)F ZINC000663231148 1042574893 /nfs/dbraw/zinc/57/48/93/1042574893.db2.gz QQIMURJMTHEJGD-UHFFFAOYSA-N -1 0 337.382 3.897 20 0 EHADRM CC(=O)c1cc(C(=O)Nc2cc(Br)ccc2O)cs1 ZINC000343894027 1042622681 /nfs/dbraw/zinc/62/26/81/1042622681.db2.gz BZMJJYDXRBXAJE-UHFFFAOYSA-N -1 0 340.198 3.671 20 0 EHADRM C[C@@H](S[C@H](C)C(=O)Nc1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000601986395 1042653538 /nfs/dbraw/zinc/65/35/38/1042653538.db2.gz DDOAQGKMUSZICU-NXEZZACHSA-N -1 0 349.374 3.715 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)Nc1ccc(-c2ccco2)cc1F)C(=O)[O-] ZINC000601993608 1042654970 /nfs/dbraw/zinc/65/49/70/1042654970.db2.gz SQEPEESKYUDARD-UWVGGRQHSA-N -1 0 337.372 3.619 20 0 EHADRM CCc1ccc(O)c([N-]S(=O)(=O)c2cccc3ccccc32)c1 ZINC000323545747 1042758643 /nfs/dbraw/zinc/75/86/43/1042758643.db2.gz NWZAEERJFLSFFO-UHFFFAOYSA-N -1 0 327.405 3.909 20 0 EHADRM O=C(Nc1cc(Cl)cc(Br)c1[O-])c1cc(F)c[nH]1 ZINC000343927301 1042852767 /nfs/dbraw/zinc/85/27/67/1042852767.db2.gz KTALLXLCTIHRNU-UHFFFAOYSA-N -1 0 333.544 3.528 20 0 EHADRM CC(C)[C@H](C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC000653332437 1042979033 /nfs/dbraw/zinc/97/90/33/1042979033.db2.gz CEMPUWIJVKPWBN-QRVBRYPASA-N -1 0 337.419 3.856 20 0 EHADRM CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000653333125 1042981188 /nfs/dbraw/zinc/98/11/88/1042981188.db2.gz LKLFMWKZUBNLEW-ZWKOTPCHSA-N -1 0 339.391 3.517 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1CCC[C@]1(C)C(=O)[O-] ZINC000317654249 1043016719 /nfs/dbraw/zinc/01/67/19/1043016719.db2.gz DCHWDMXHVPAYON-NKFCBESUSA-N -1 0 341.860 3.580 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)NCc1ncccc1O ZINC000348553140 1043068342 /nfs/dbraw/zinc/06/83/42/1043068342.db2.gz NNPNVTNINOXURF-UHFFFAOYSA-N -1 0 335.791 3.551 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)C2(c3cccc(F)c3)CC2)c1 ZINC000344047324 1043158339 /nfs/dbraw/zinc/15/83/39/1043158339.db2.gz OKTRABSJZJHYCV-UHFFFAOYSA-N -1 0 327.355 3.513 20 0 EHADRM Cc1coc(-c2cccc([N-]S(=O)(=O)c3sccc3C)c2)n1 ZINC000344044608 1043161888 /nfs/dbraw/zinc/16/18/88/1043161888.db2.gz LASNYCNTRYXSEB-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2c[nH]cc2-c2ccccc2)c1 ZINC000344053215 1043165461 /nfs/dbraw/zinc/16/54/61/1043165461.db2.gz SSYPILWPPUQDMA-UHFFFAOYSA-N -1 0 334.375 3.951 20 0 EHADRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N=c1cc(C(F)(F)F)[n-][nH]1 ZINC000344278016 1043580809 /nfs/dbraw/zinc/58/08/09/1043580809.db2.gz MZSXTQPTIIMWBM-UHFFFAOYSA-N -1 0 342.708 3.546 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)C2(c3ccccc3)CCCC2)c2ccccc21 ZINC000653335356 1043724665 /nfs/dbraw/zinc/72/46/65/1043724665.db2.gz NWDBYHSMRMWNAO-RBUKOAKNSA-N -1 0 349.430 3.928 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C ZINC000318785328 1043751735 /nfs/dbraw/zinc/75/17/35/1043751735.db2.gz FBQFQAWXBBUQGW-SRVKXCTJSA-N -1 0 341.860 3.532 20 0 EHADRM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)[C@H]1CCC[C@H](O)C1 ZINC000473222035 1043758182 /nfs/dbraw/zinc/75/81/82/1043758182.db2.gz WANAKEFACJBALD-BQBZGAKWSA-N -1 0 338.618 3.842 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)n[nH]1 ZINC000033702119 1043825276 /nfs/dbraw/zinc/82/52/76/1043825276.db2.gz YDNIOBCUWALXFB-UHFFFAOYSA-N -1 0 347.362 3.527 20 0 EHADRM CC(C)c1ccccc1S(=O)(=O)[N-]c1cnn([C@H](C)C2CC2)c1 ZINC000344496926 1044073901 /nfs/dbraw/zinc/07/39/01/1044073901.db2.gz IYAHWPDBTYZIGY-CYBMUJFWSA-N -1 0 333.457 3.778 20 0 EHADRM Cc1ccc2c(c1)[C@H](NC(=O)c1cc(=O)c3ccccc3[nH]1)CCC2 ZINC000344689108 1044279300 /nfs/dbraw/zinc/27/93/00/1044279300.db2.gz DDPUONIJPMXQFY-GOSISDBHSA-N -1 0 332.403 3.644 20 0 EHADRM CCOc1cc(C(=O)N[C@@H](C)CC(F)(F)F)cc(Cl)c1O ZINC000344791875 1044436742 /nfs/dbraw/zinc/43/67/42/1044436742.db2.gz LGUDIFIDDSTCHO-ZETCQYMHSA-N -1 0 325.714 3.515 20 0 EHADRM COc1ccc(CCCCC(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000512262588 1044444781 /nfs/dbraw/zinc/44/47/81/1044444781.db2.gz SNZIVGVMAIWQLT-UHFFFAOYSA-N -1 0 345.370 3.884 20 0 EHADRM Cc1cccc(C)c1NC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000344806386 1044453582 /nfs/dbraw/zinc/45/35/82/1044453582.db2.gz FSWZDTQDJKTOFN-UHFFFAOYSA-N -1 0 325.343 3.586 20 0 EHADRM Cc1ccc(SCCC(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000320260667 1044746216 /nfs/dbraw/zinc/74/62/16/1044746216.db2.gz CKMIPOZROUOQPN-UHFFFAOYSA-N -1 0 329.421 3.743 20 0 EHADRM O=C(CCCc1ccc(O)c(F)c1)N1CC[C@@H](Oc2ccccc2)C1 ZINC000620264264 1125532902 /nfs/dbraw/zinc/53/29/02/1125532902.db2.gz XWANKILNOKSDKL-QGZVFWFLSA-N -1 0 343.398 3.534 20 0 EHADRM O=C(CCc1ccccc1O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000154693903 1125745903 /nfs/dbraw/zinc/74/59/03/1125745903.db2.gz LOQZXCBEMJOREP-UHFFFAOYSA-N -1 0 326.179 3.976 20 0 EHADRM CCNc1ncc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)s1 ZINC000154734381 1125752864 /nfs/dbraw/zinc/75/28/64/1125752864.db2.gz VTKLVRNBEXZFNF-UHFFFAOYSA-N -1 0 332.212 3.840 20 0 EHADRM CCc1n[n-]c(=NCc2ccc(Br)cc2SC)s1 ZINC000347812557 1129861569 /nfs/dbraw/zinc/86/15/69/1129861569.db2.gz JWPGZLPBPKRFOZ-UHFFFAOYSA-N -1 0 344.303 3.619 20 0 EHADRM CC(C)(C)[C@H]1CCCN(C(=O)CSc2n[n-]c(=S)s2)CC1 ZINC000081755369 1126726701 /nfs/dbraw/zinc/72/67/01/1126726701.db2.gz QIRZYMJAXDYJPC-JTQLQIEISA-N -1 0 345.559 3.594 20 0 EHADRM O=C(Cc1csc(-c2ccccn2)n1)Nc1cccc(Cl)c1[O-] ZINC000172355905 1126791173 /nfs/dbraw/zinc/79/11/73/1126791173.db2.gz UKUBAUUOHBERRU-UHFFFAOYSA-N -1 0 345.811 3.745 20 0 EHADRM CCCc1sc(C(=O)N=c2nc(SC)[n-]s2)cc1CC ZINC000623048610 1126866220 /nfs/dbraw/zinc/86/62/20/1126866220.db2.gz KBJBJGUHFGPSLC-UHFFFAOYSA-N -1 0 327.500 3.511 20 0 EHADRM CC(C)C[C@@H]1CCCN1C(=O)N=c1[n-]nc(Cc2ccccc2)s1 ZINC000623513440 1126970004 /nfs/dbraw/zinc/97/00/04/1126970004.db2.gz KUWSFPOMCZWBSA-HNNXBMFYSA-N -1 0 344.484 3.593 20 0 EHADRM CCO[N-]C(=O)[C@](C)(Cc1nc2ccccc2s1)c1ccccc1 ZINC000073083937 1126998610 /nfs/dbraw/zinc/99/86/10/1126998610.db2.gz QZSRRQRJSNCTGC-LJQANCHMSA-N -1 0 340.448 3.864 20 0 EHADRM CC(C)c1cc(C(=O)[N-]NC(=S)Nc2ccccc2C(C)C)on1 ZINC000073110336 1127028525 /nfs/dbraw/zinc/02/85/25/1127028525.db2.gz SFPMZROCMXWXAR-UHFFFAOYSA-N -1 0 346.456 3.553 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccccc2F)ccc1N1CCCC1 ZINC000073135042 1127063678 /nfs/dbraw/zinc/06/36/78/1127063678.db2.gz NPQHUFIBWZCYLL-UHFFFAOYSA-N -1 0 334.416 3.535 20 0 EHADRM Cc1noc(C)c1S(=O)(=O)[N-]c1sc(-c2ccccc2)nc1C ZINC000181756254 1127294519 /nfs/dbraw/zinc/29/45/19/1127294519.db2.gz MGASXULTJVRENR-UHFFFAOYSA-N -1 0 349.437 3.524 20 0 EHADRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cnoc1-c1ccccc1 ZINC000182488115 1127332757 /nfs/dbraw/zinc/33/27/57/1127332757.db2.gz XSMAJSFWSBNIMG-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC000183346716 1127373233 /nfs/dbraw/zinc/37/32/33/1127373233.db2.gz PTNQEWNSZRAUCR-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1ccc(C)c(F)c1 ZINC000183348566 1127373605 /nfs/dbraw/zinc/37/36/05/1127373605.db2.gz DPPOLRDFZYZVBQ-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM Cc1ccccc1[C@H]([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)C(C)(C)C ZINC000184647422 1127410286 /nfs/dbraw/zinc/41/02/86/1127410286.db2.gz DJWWVHYZZPWNCZ-AAEUAGOBSA-N -1 0 337.407 3.952 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2c(C)noc2C(C)C)c(C)c1C ZINC000901765437 1127438003 /nfs/dbraw/zinc/43/80/03/1127438003.db2.gz YRZSRPMGLISKDI-UHFFFAOYSA-N -1 0 338.429 3.533 20 0 EHADRM O=S(=O)([N-]c1ccc(F)nc1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000764542159 1127504423 /nfs/dbraw/zinc/50/44/23/1127504423.db2.gz PSQJMOXWMQUCSD-UHFFFAOYSA-N -1 0 340.379 3.593 20 0 EHADRM CC(C)[C@H](CNC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000671643406 1127758339 /nfs/dbraw/zinc/75/83/39/1127758339.db2.gz WMJZDVIFSKXUHX-ULQDDVLXSA-N -1 0 349.858 3.863 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)nc1 ZINC000671668011 1127799871 /nfs/dbraw/zinc/79/98/71/1127799871.db2.gz SXVVQVCOCQDEBB-UHFFFAOYSA-N -1 0 340.404 3.558 20 0 EHADRM Cc1cc2occ(CC(=O)N=c3[n-]nc4ccccn43)c2cc1C(C)C ZINC000031739752 1127839842 /nfs/dbraw/zinc/83/98/42/1127839842.db2.gz WXZFIGSPLHNPQM-UHFFFAOYSA-N -1 0 348.406 3.510 20 0 EHADRM CCCOc1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000032599781 1127854264 /nfs/dbraw/zinc/85/42/64/1127854264.db2.gz VKEWNNADSKSWJU-UHFFFAOYSA-N -1 0 327.352 3.554 20 0 EHADRM C[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)[C@@H]1CC2CCC1CC2 ZINC001212356629 1127950891 /nfs/dbraw/zinc/95/08/91/1127950891.db2.gz ILCKRKBPBPFZQO-YUVKLTJASA-N -1 0 347.402 3.597 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)c(Cl)c1 ZINC000045712923 1127957704 /nfs/dbraw/zinc/95/77/04/1127957704.db2.gz GVMZEUIKNHIBQP-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM Cc1cc(C(=O)N[C@H](CC2CC2)C(=O)[O-])sc1-c1ccc(F)cc1 ZINC000347522199 1128037060 /nfs/dbraw/zinc/03/70/60/1128037060.db2.gz QAWQDRLMKPXMCS-CQSZACIVSA-N -1 0 347.411 3.846 20 0 EHADRM Cc1cn2c(CN=c3nc(C4CCCC4)[n-]s3)c(C)nc2s1 ZINC000624384088 1128264644 /nfs/dbraw/zinc/26/46/44/1128264644.db2.gz FCRIRUKWLIZSPQ-UHFFFAOYSA-N -1 0 333.486 3.556 20 0 EHADRM O=C(Nc1ccc2ccccc2n1)c1ccc(Br)cc1[O-] ZINC000066042106 1128210567 /nfs/dbraw/zinc/21/05/67/1128210567.db2.gz CMSWWYWGUASHLX-UHFFFAOYSA-N -1 0 343.180 3.955 20 0 EHADRM C[C@H]1COC(C)(C)CN1Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000902534801 1128306622 /nfs/dbraw/zinc/30/66/22/1128306622.db2.gz GBQCAZOFHLYMMH-ZDUSSCGKSA-N -1 0 329.396 3.644 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)CCCC1 ZINC000074390761 1128340363 /nfs/dbraw/zinc/34/03/63/1128340363.db2.gz ZCALXAPZAOMVLG-MRXNPFEDSA-N -1 0 335.831 3.942 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc(-c2nc[nH]n2)cc1 ZINC000186290133 1128376982 /nfs/dbraw/zinc/37/69/82/1128376982.db2.gz TUWFESIQAUSMTI-UHFFFAOYSA-N -1 0 349.177 3.736 20 0 EHADRM CC(C)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000073532637 1128391744 /nfs/dbraw/zinc/39/17/44/1128391744.db2.gz CPLXFBVMGNPABJ-QMMMGPOBSA-N -1 0 341.326 3.782 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000186422684 1128464973 /nfs/dbraw/zinc/46/49/73/1128464973.db2.gz VZQASLJBAHDLRD-UHFFFAOYSA-N -1 0 327.123 3.860 20 0 EHADRM CCOc1cc(C)ccc1NC(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000055150517 1128506907 /nfs/dbraw/zinc/50/69/07/1128506907.db2.gz NKRFSRFHGJWNHF-OAHLLOKOSA-N -1 0 327.380 3.591 20 0 EHADRM CC(C)Oc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC000055619434 1128525138 /nfs/dbraw/zinc/52/51/38/1128525138.db2.gz XSRUCCSLKHMENR-UHFFFAOYSA-N -1 0 327.352 3.553 20 0 EHADRM Fc1ccc(CN=c2[n-]nc(-c3cccs3)o2)c(C(F)(F)F)c1 ZINC000542752211 1128574331 /nfs/dbraw/zinc/57/43/31/1128574331.db2.gz KJCIOXJMBADVLO-UHFFFAOYSA-N -1 0 343.305 3.990 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)NCCCc2ccccc2)cc1 ZINC000108067199 1128591063 /nfs/dbraw/zinc/59/10/63/1128591063.db2.gz GGIWHMYQUQJSLG-XMMPIXPASA-N -1 0 343.492 3.667 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2F)cc1Cl ZINC000404813129 1128697215 /nfs/dbraw/zinc/69/72/15/1128697215.db2.gz IZDTWEROGMCLHV-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM Cc1ccc(NCc2cc(Cl)cc(Cl)c2[O-])cc1C(N)=O ZINC000129396565 1120145585 /nfs/dbraw/zinc/14/55/85/1120145585.db2.gz MNSKQKAIRJEEQO-UHFFFAOYSA-N -1 0 325.195 3.718 20 0 EHADRM COc1ccc(COCc2noc(-c3cc(Cl)ccc3[O-])n2)cc1 ZINC000547096081 1128894074 /nfs/dbraw/zinc/89/40/74/1128894074.db2.gz LWRRZNAONTXNFY-UHFFFAOYSA-N -1 0 346.770 3.821 20 0 EHADRM Cc1ccc(-c2[n-][nH]c(=NC(=O)[C@@H]3CC[C@H](C(F)(F)F)C3)c2C)o1 ZINC000355014258 1128903000 /nfs/dbraw/zinc/90/30/00/1128903000.db2.gz HDNBSMGSTHVHGW-MNOVXSKESA-N -1 0 341.333 3.626 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000263007470 1120313007 /nfs/dbraw/zinc/31/30/07/1120313007.db2.gz PJIWQXCDJYUATH-CABZTGNLSA-N -1 0 335.400 3.532 20 0 EHADRM O=C(c1ccccc1)c1ccccc1S(=O)(=O)[N-]c1ccsc1 ZINC000186998328 1120482181 /nfs/dbraw/zinc/48/21/81/1120482181.db2.gz MWLJHALLBQRHAB-UHFFFAOYSA-N -1 0 343.429 3.780 20 0 EHADRM COc1cc(C)c([N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1F ZINC000187068110 1120485889 /nfs/dbraw/zinc/48/58/89/1120485889.db2.gz MRXQJJPLGGDRGS-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C(C)C)C3CC3)n2)cc1 ZINC000162974959 1120557234 /nfs/dbraw/zinc/55/72/34/1120557234.db2.gz VKKIKMRCYSJWRR-UHFFFAOYSA-N -1 0 327.428 3.714 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1n[nH]c2c1CCCCC2 ZINC000190942748 1120655438 /nfs/dbraw/zinc/65/54/38/1120655438.db2.gz BMUMTLITWYYELS-UHFFFAOYSA-N -1 0 340.210 3.943 20 0 EHADRM O=C(/C=C/c1ccc(C(=O)[O-])cc1)Nc1cccc(-c2ncco2)c1 ZINC000191586655 1120680085 /nfs/dbraw/zinc/68/00/85/1120680085.db2.gz GYJSJXBVLQERPO-RMKNXTFCSA-N -1 0 334.331 3.692 20 0 EHADRM Cc1ccc([C@H](CNC(=O)C=C2CCC(C)(C)CC2)C(=O)[O-])cc1 ZINC000761733602 1120849932 /nfs/dbraw/zinc/84/99/32/1120849932.db2.gz DKZHKEFXQRRUGA-KRWDZBQOSA-N -1 0 329.440 3.806 20 0 EHADRM CCn1ncc2ccc([N-]S(=O)(=O)c3ccc(C)cc3Cl)cc21 ZINC000194689707 1120855186 /nfs/dbraw/zinc/85/51/86/1120855186.db2.gz FPBSLKKECJHHRB-UHFFFAOYSA-N -1 0 349.843 3.819 20 0 EHADRM CS[C@H]1CCC[C@H](NC(=O)c2ccc(Br)cc2O)C1 ZINC000227384178 1120878800 /nfs/dbraw/zinc/87/88/00/1120878800.db2.gz UBZMYGUVZKKIBT-QWRGUYRKSA-N -1 0 344.274 3.559 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CC[C@H](C)[C@H](C)C3)n2)c1 ZINC000495161299 1120973803 /nfs/dbraw/zinc/97/38/03/1120973803.db2.gz GENIQGIWODIXJM-LSDHHAIUSA-N -1 0 341.455 3.819 20 0 EHADRM CCc1cc2c(CNc3cnn(CC(C)C)c3)cc(=O)oc2cc1O ZINC000762544681 1121347136 /nfs/dbraw/zinc/34/71/36/1121347136.db2.gz UVORREJGDRTJKV-UHFFFAOYSA-N -1 0 341.411 3.526 20 0 EHADRM CCO[C@@H](C)c1nc(COC(=O)c2ccc([O-])c(Cl)c2)cs1 ZINC000762825915 1121450091 /nfs/dbraw/zinc/45/00/91/1121450091.db2.gz WUIPOJZYXHKPPV-VIFPVBQESA-N -1 0 341.816 3.957 20 0 EHADRM O=C(OCc1ccn(-c2ccccc2)n1)c1ccc([O-])c(Cl)c1 ZINC000762832977 1121453862 /nfs/dbraw/zinc/45/38/62/1121453862.db2.gz YVMMTJXUYRDVSV-UHFFFAOYSA-N -1 0 328.755 3.588 20 0 EHADRM CCN(Cc1ccccc1Cl)C(=O)c1cnc2ccccc2c1O ZINC000053799335 1121455913 /nfs/dbraw/zinc/45/59/13/1121455913.db2.gz HLGNYXVYRWVVPH-UHFFFAOYSA-N -1 0 340.810 3.844 20 0 EHADRM CC(C)Oc1cccc(/C=C/C(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000236754096 1121462410 /nfs/dbraw/zinc/46/24/10/1121462410.db2.gz CBZRFMSKEJFZCF-ZHACJKMWSA-N -1 0 339.391 3.753 20 0 EHADRM Cc1ccccc1OCCCC(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000237552032 1121487406 /nfs/dbraw/zinc/48/74/06/1121487406.db2.gz BVZMCQSFLFZOEP-UHFFFAOYSA-N -1 0 327.380 3.799 20 0 EHADRM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1csc2ccccc12 ZINC000238041025 1121500495 /nfs/dbraw/zinc/50/04/95/1121500495.db2.gz ATYHNYRRFKDODA-MRXNPFEDSA-N -1 0 337.400 3.553 20 0 EHADRM O=C([O-])CCNC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000238189953 1121505799 /nfs/dbraw/zinc/50/57/99/1121505799.db2.gz QPMJNWYGRGHDDN-UHFFFAOYSA-N -1 0 344.219 3.926 20 0 EHADRM O=C(NCc1ccc(OC(F)(F)F)cc1)C(F)(F)c1ccccc1 ZINC000915657942 1121575260 /nfs/dbraw/zinc/57/52/60/1121575260.db2.gz SNQQUQFIWAYWSJ-UHFFFAOYSA-N -1 0 345.267 3.993 20 0 EHADRM O=C(NC1CC(Nc2ccccc2)C1)c1cc(F)cc(Cl)c1[O-] ZINC001649020394 1121758071 /nfs/dbraw/zinc/75/80/71/1121758071.db2.gz JWIFBIARUARSRV-UHFFFAOYSA-N -1 0 334.778 3.558 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1F ZINC000055619170 1121854102 /nfs/dbraw/zinc/85/41/02/1121854102.db2.gz OCUQNLRDLCQQAA-UHFFFAOYSA-N -1 0 349.305 3.654 20 0 EHADRM Cc1cccc([C@@H]2C[C@H]2C(=O)N(CCC(=O)[O-])Cc2ccccc2)c1 ZINC000630096148 1121909147 /nfs/dbraw/zinc/90/91/47/1121909147.db2.gz IHPCPGDPDRLRCQ-RBUKOAKNSA-N -1 0 337.419 3.602 20 0 EHADRM Cc1cc(OC(C)C)ccc1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000056099017 1121913533 /nfs/dbraw/zinc/91/35/33/1121913533.db2.gz QDYKQPQGKKBDDN-UHFFFAOYSA-N -1 0 336.391 3.876 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@]2(C)CCCc3ccccc32)cc1C(=O)[O-] ZINC000262550784 1121932160 /nfs/dbraw/zinc/93/21/60/1121932160.db2.gz WYYMIZBVDKWPNW-HXUWFJFHSA-N -1 0 341.407 3.539 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2cnc(Cl)c(C)c2)cc1 ZINC000154055491 1122196620 /nfs/dbraw/zinc/19/66/20/1122196620.db2.gz QBWSWJCYIKSPMS-UHFFFAOYSA-N -1 0 328.846 3.566 20 0 EHADRM COc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C)ccc1Cl ZINC000123949211 1122269228 /nfs/dbraw/zinc/26/92/28/1122269228.db2.gz GYXLBXROIUNZHJ-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1O ZINC000126088782 1122385548 /nfs/dbraw/zinc/38/55/48/1122385548.db2.gz CXGAISPKKUZHCN-UHFFFAOYSA-N -1 0 331.315 3.520 20 0 EHADRM Cc1coc(-c2cccc([N-]S(=O)(=O)c3cc(C)ccc3F)c2)n1 ZINC000126756099 1122422799 /nfs/dbraw/zinc/42/27/99/1122422799.db2.gz RCIZWPRTSCQZFE-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM Cc1cc(C)n(CC(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)n1 ZINC000127738033 1122504451 /nfs/dbraw/zinc/50/44/51/1122504451.db2.gz QHHNTTYKNWGYIE-UHFFFAOYSA-N -1 0 348.617 3.804 20 0 EHADRM Cc1ccc(-c2nc(-c3ccc4[n-]c(=S)sc4c3)no2)c(=O)[nH]1 ZINC001212473963 1129059883 /nfs/dbraw/zinc/05/98/83/1129059883.db2.gz AXJVAFGBVHADNZ-UHFFFAOYSA-N -1 0 342.405 3.711 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cn1)c1ccc(Cl)c2ccccc21 ZINC000128167961 1122535278 /nfs/dbraw/zinc/53/52/78/1122535278.db2.gz AKSUNYUKBIZCJG-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000262705503 1122743847 /nfs/dbraw/zinc/74/38/47/1122743847.db2.gz JKRPYKICOUOUKX-BZSNNMDCSA-N -1 0 329.440 3.674 20 0 EHADRM Cc1c(Br)cccc1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262716103 1122780100 /nfs/dbraw/zinc/78/01/00/1122780100.db2.gz NJQWPAFVHMHEHS-XYPYZODXSA-N -1 0 340.217 3.587 20 0 EHADRM CN(Cc1ccn(-c2ccccc2)n1)C(=O)c1ccc([O-])c(Cl)c1 ZINC000918347982 1122792514 /nfs/dbraw/zinc/79/25/14/1122792514.db2.gz YQTWHRYAVDSBLS-UHFFFAOYSA-N -1 0 341.798 3.504 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000630284749 1122801988 /nfs/dbraw/zinc/80/19/88/1122801988.db2.gz YGBOZCCDMAQJIY-YDHLFZDLSA-N -1 0 345.370 3.596 20 0 EHADRM CCc1nc([N-]S(=O)(=O)c2cc(Cl)ccc2F)sc1C ZINC000556303363 1122919056 /nfs/dbraw/zinc/91/90/56/1122919056.db2.gz MZBJBTBQTZBHKG-UHFFFAOYSA-N -1 0 334.825 3.607 20 0 EHADRM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000556374059 1122955775 /nfs/dbraw/zinc/95/57/75/1122955775.db2.gz BEHWLCVEBJYMCZ-JTQLQIEISA-N -1 0 347.761 3.734 20 0 EHADRM CC1(C)[C@@H](CNC(=O)c2s[n-]c(=O)c2Cl)[C@@H]1c1ccccc1 ZINC000556725016 1123091843 /nfs/dbraw/zinc/09/18/43/1123091843.db2.gz KEZZLKDXPDNMKF-QWRGUYRKSA-N -1 0 336.844 3.672 20 0 EHADRM O=C(Nc1ccc(NC(=O)c2ccc([O-])c(Cl)c2)cc1)NC1CC1 ZINC000073801447 1123222090 /nfs/dbraw/zinc/22/20/90/1123222090.db2.gz OXDQTRHPRLBZSI-UHFFFAOYSA-N -1 0 345.786 3.582 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)c3scnc3Cl)ccc2s1 ZINC000920081401 1123281195 /nfs/dbraw/zinc/28/11/95/1123281195.db2.gz VBXSBCPPPZHRJB-UHFFFAOYSA-N -1 0 338.797 3.962 20 0 EHADRM CCOc1ccc(NC(=O)CC2CCC(C(=O)[O-])CC2)cc1OCC ZINC000649240376 1123344242 /nfs/dbraw/zinc/34/42/42/1123344242.db2.gz RGHWDHKXHDBPSF-UHFFFAOYSA-N -1 0 349.427 3.704 20 0 EHADRM CCc1cccc([N-]S(=O)(=O)c2ccccc2-c2ccno2)c1 ZINC000499338627 1123355260 /nfs/dbraw/zinc/35/52/60/1123355260.db2.gz CSAJIJBJODIQOO-UHFFFAOYSA-N -1 0 328.393 3.705 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2ccccc2-c2ccno2)c1C ZINC000499339730 1123355363 /nfs/dbraw/zinc/35/53/63/1123355363.db2.gz MTSQZKOXJUILQQ-UHFFFAOYSA-N -1 0 328.393 3.759 20 0 EHADRM CC(C)(C)CCCC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000236602034 1123437268 /nfs/dbraw/zinc/43/72/68/1123437268.db2.gz OJQRUGSJWGHZGN-UHFFFAOYSA-N -1 0 327.808 3.958 20 0 EHADRM CC(C)(C)c1ccccc1C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000236748475 1123461137 /nfs/dbraw/zinc/46/11/37/1123461137.db2.gz BTPYGHZJYSQMQB-MRXNPFEDSA-N -1 0 339.435 3.657 20 0 EHADRM CCCOCc1ccccc1CNC(=O)c1c([O-])cc(F)cc1F ZINC000066047095 1129127495 /nfs/dbraw/zinc/12/74/95/1129127495.db2.gz FCTOIHVUMARETF-UHFFFAOYSA-N -1 0 335.350 3.527 20 0 EHADRM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3cc(F)ccc3C)c2C)o1 ZINC000135405629 1123609840 /nfs/dbraw/zinc/60/98/40/1123609840.db2.gz XFOBZCOFROUXSO-UHFFFAOYSA-N -1 0 349.387 3.535 20 0 EHADRM CCc1nc(CCNC(=O)c2c([O-])cc(Cl)cc2Cl)cs1 ZINC000080023138 1123735154 /nfs/dbraw/zinc/73/51/54/1123735154.db2.gz VAKSUKGDQCFXOP-UHFFFAOYSA-N -1 0 345.251 3.690 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cnn(CCC(C)C)c2C)cc1 ZINC000137818139 1123777438 /nfs/dbraw/zinc/77/74/38/1123777438.db2.gz DAHDJZRSFRIUFE-UHFFFAOYSA-N -1 0 335.473 3.601 20 0 EHADRM Cc1nc([C@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)sc1C(=O)[O-] ZINC000237595102 1123782108 /nfs/dbraw/zinc/78/21/08/1123782108.db2.gz OTMAZIVHPQYYFJ-NSHDSACASA-N -1 0 346.452 3.938 20 0 EHADRM CCCCN(C(=O)c1ccc2oc(=O)nc-2[n-]1)[C@H]1CCC[C@@H](C)C1 ZINC000615375045 1123787872 /nfs/dbraw/zinc/78/78/72/1123787872.db2.gz SHABMSWZOBTMOO-OLZOCXBDSA-N -1 0 331.416 3.749 20 0 EHADRM Cc1cccc2c(CCC(=O)N3CCCC[C@H]3CCC(=O)[O-])c[nH]c21 ZINC000237760202 1123848774 /nfs/dbraw/zinc/84/87/74/1123848774.db2.gz YLBKCDUVTVNDNL-INIZCTEOSA-N -1 0 342.439 3.655 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)C2(c3ccccc3F)CC2)cc1 ZINC000237939534 1123917447 /nfs/dbraw/zinc/91/74/47/1123917447.db2.gz BPCPQADTIGKJRV-JXMROGBWSA-N -1 0 325.339 3.594 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cc2cc(Cl)ccc2o1 ZINC000237993915 1123941498 /nfs/dbraw/zinc/94/14/98/1123941498.db2.gz SMSSZDXINLBKFY-CYBMUJFWSA-N -1 0 335.787 3.946 20 0 EHADRM CC(C)CCc1nnc([N-]C(=O)c2c(F)c(F)cc(F)c2F)s1 ZINC000617096571 1124083986 /nfs/dbraw/zinc/08/39/86/1124083986.db2.gz ZXIYWLBBECUPML-UHFFFAOYSA-N -1 0 347.337 3.935 20 0 EHADRM CC(C)[C@@H](NC(=O)Cc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1F ZINC000263571715 1124538404 /nfs/dbraw/zinc/53/84/04/1124538404.db2.gz JTBZPDMSNUMQHO-GOSISDBHSA-N -1 0 347.361 3.719 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2CCC[C@H]2CCCc2ccccc2)CC1 ZINC000263572207 1124573207 /nfs/dbraw/zinc/57/32/07/1124573207.db2.gz KPRWLEYYCPZSAF-GUDVDZBRSA-N -1 0 343.467 3.891 20 0 EHADRM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc3ccccc3o2)c1 ZINC000084920203 1124604475 /nfs/dbraw/zinc/60/44/75/1124604475.db2.gz MUSUPLYPRCQOJN-UHFFFAOYSA-N -1 0 344.392 3.500 20 0 EHADRM O=C([O-])C1(CC(=O)N2CCC[C@@H]2CCCc2ccccc2)CCC1 ZINC000263580891 1124694368 /nfs/dbraw/zinc/69/43/68/1124694368.db2.gz WLBPBROAOYMUNA-KRWDZBQOSA-N -1 0 329.440 3.645 20 0 EHADRM O=C(c1cccc(Br)c1[O-])N1CCC(C2CCC2)CC1 ZINC000617771240 1124771513 /nfs/dbraw/zinc/77/15/13/1124771513.db2.gz NNPGEAVMUNWSRI-UHFFFAOYSA-N -1 0 338.245 3.807 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCC[C@@](O)(C2CC2)C1 ZINC000618293833 1125039411 /nfs/dbraw/zinc/03/94/11/1125039411.db2.gz AHKGFSLUJMXGDE-IBGZPJMESA-N -1 0 345.826 3.576 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N=c2nc(CC(C)C)[n-]s2)c1 ZINC000618345513 1125057198 /nfs/dbraw/zinc/05/71/98/1125057198.db2.gz OIXMSMVXZRGXFJ-UHFFFAOYSA-N -1 0 341.889 3.786 20 0 EHADRM CCOC(=O)c1nc(NC(=O)C(C)(C)CCCc2ccccc2)c[nH]1 ZINC000619446448 1125347578 /nfs/dbraw/zinc/34/75/78/1125347578.db2.gz KOULMVPMIJZRTE-UHFFFAOYSA-N -1 0 343.427 3.574 20 0 EHADRM C[C@]12CC3CC(C(=O)N4CCC[C@@](C)(C(=O)[O-])C4)(C1)C[C@@](C)(C3)C2 ZINC000261723647 1125379141 /nfs/dbraw/zinc/37/91/41/1125379141.db2.gz QZVXWDOVFRAKPE-RASIUVLRSA-N -1 0 333.472 3.696 20 0 EHADRM C[C@@H]1CN(C(=O)c2sccc2-c2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000261887227 1125388723 /nfs/dbraw/zinc/38/87/23/1125388723.db2.gz NHLMEEOBXDRWGJ-OCCSQVGLSA-N -1 0 329.421 3.598 20 0 EHADRM Cc1c(NC(=O)c2ccc3[n-]c(=S)oc3c2)cccc1N(C)C ZINC000182949592 1125405203 /nfs/dbraw/zinc/40/52/03/1125405203.db2.gz XFQCJMBMDZZJRM-UHFFFAOYSA-N -1 0 327.409 3.743 20 0 EHADRM C[C@H](C(=O)NN=c1[n-]c(-c2ccc(Cl)cc2)no1)c1ccccc1 ZINC000182964654 1125414619 /nfs/dbraw/zinc/41/46/19/1125414619.db2.gz OCYWYEWGCJNVPN-NSHDSACASA-N -1 0 342.786 3.637 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000619964364 1125440763 /nfs/dbraw/zinc/44/07/63/1125440763.db2.gz WRDFTDWUXABVPE-UHFFFAOYSA-N -1 0 332.227 3.843 20 0 EHADRM Cc1ccc2cccc([N-]S(=O)(=O)c3ccc(F)cc3F)c2n1 ZINC000066587600 1129189188 /nfs/dbraw/zinc/18/91/88/1129189188.db2.gz JYBSGPVQFPZORU-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM CC(C)OCc1cccc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000067988240 1129330325 /nfs/dbraw/zinc/33/03/25/1129330325.db2.gz RQYBUWUJBHOMEW-GOSISDBHSA-N -1 0 341.407 3.809 20 0 EHADRM Fc1ccc2c(c1)[C@H](N=c1[n-]nc(Cc3ccccc3)s1)CC2 ZINC000543206823 1129340946 /nfs/dbraw/zinc/34/09/46/1129340946.db2.gz CFFXCZYLLREPIB-MRXNPFEDSA-N -1 0 325.412 3.789 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)CCc1ccc(Cl)cc1Cl ZINC000315887036 1129360719 /nfs/dbraw/zinc/36/07/19/1129360719.db2.gz BCXAWPXUOSQCHF-OCCSQVGLSA-N -1 0 344.238 3.686 20 0 EHADRM Cc1cc(C(=O)N=c2[n-]nc(-c3cccc(Cl)c3)s2)ccc1O ZINC000499918880 1129568384 /nfs/dbraw/zinc/56/83/84/1129568384.db2.gz XLQSKZVFKVEQPV-UHFFFAOYSA-N -1 0 345.811 3.547 20 0 EHADRM O=C(NCCOc1ccc(Cl)cc1)c1ccc2[n-]c(=S)oc2c1 ZINC000735841360 1131383209 /nfs/dbraw/zinc/38/32/09/1131383209.db2.gz PDRAUVRBNOHYSL-UHFFFAOYSA-N -1 0 348.811 3.579 20 0 EHADRM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C1(C(F)F)CCCC1 ZINC000673586508 1129588891 /nfs/dbraw/zinc/58/88/91/1129588891.db2.gz IIUOASYCJDROPY-UHFFFAOYSA-N -1 0 347.358 3.737 20 0 EHADRM Cc1cc(NC(=O)c2cc(Br)cc(F)c2[O-])cs1 ZINC001168729319 1129591084 /nfs/dbraw/zinc/59/10/84/1129591084.db2.gz HTYFVKGINFXKCL-UHFFFAOYSA-N -1 0 330.178 3.916 20 0 EHADRM Fc1ccc(COc2cccc(CN=c3[n-]c(C4CC4)no3)c2)cc1 ZINC000347754599 1129688150 /nfs/dbraw/zinc/68/81/50/1129688150.db2.gz JNYLZJOCXKGDJS-UHFFFAOYSA-N -1 0 339.370 3.699 20 0 EHADRM C[C@H](OC(=O)c1c(F)cc([O-])cc1F)c1nnc(-c2ccccc2)o1 ZINC000735949789 1131393589 /nfs/dbraw/zinc/39/35/89/1131393589.db2.gz IDNIHIZDPOKAPE-VIFPVBQESA-N -1 0 346.289 3.638 20 0 EHADRM O=C(OCc1coc(-c2ccc(F)cc2)n1)c1c(F)cc([O-])cc1F ZINC000735949304 1131393911 /nfs/dbraw/zinc/39/39/11/1131393911.db2.gz BAGLKRKPCQFHEL-UHFFFAOYSA-N -1 0 349.264 3.822 20 0 EHADRM CCCCOc1cccc([N-]S(=O)(=O)c2c[nH]c(C(C)C)n2)c1 ZINC000673884550 1129894723 /nfs/dbraw/zinc/89/47/23/1129894723.db2.gz TXXGOGMWXHUIKT-UHFFFAOYSA-N -1 0 337.445 3.513 20 0 EHADRM CCc1cc([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)no1 ZINC000673897986 1129896027 /nfs/dbraw/zinc/89/60/27/1129896027.db2.gz TXJAWBQMVCPOND-UHFFFAOYSA-N -1 0 335.212 3.653 20 0 EHADRM CCc1cc([N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)no1 ZINC000673897775 1129899038 /nfs/dbraw/zinc/89/90/38/1129899038.db2.gz NOIIQTKQQHRFFC-UHFFFAOYSA-N -1 0 349.239 3.961 20 0 EHADRM COC(=O)c1cc(C)c(Nc2ccc(C(=O)[O-])c(F)c2F)cc1C ZINC001212514905 1129929057 /nfs/dbraw/zinc/92/90/57/1129929057.db2.gz MFINVMIUGLHGPV-UHFFFAOYSA-N -1 0 335.306 3.810 20 0 EHADRM c1oc(-c2ccccc2)nc1CN=c1[n-]nc(CCc2ccccc2)o1 ZINC000347875497 1129959760 /nfs/dbraw/zinc/95/97/60/1129959760.db2.gz FIBRGEBICOFNJN-UHFFFAOYSA-N -1 0 346.390 3.544 20 0 EHADRM O=C(NC[C@@H]1CCCC[C@H]1C(F)(F)F)c1c([O-])cc(F)cc1F ZINC000674016405 1129962328 /nfs/dbraw/zinc/96/23/28/1129962328.db2.gz BXKVWTBHOTVPNC-WCBMZHEXSA-N -1 0 337.288 3.769 20 0 EHADRM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1cc(C(C)C)on1 ZINC000509202496 1129969627 /nfs/dbraw/zinc/96/96/27/1129969627.db2.gz JSRLOZVHEORJOE-UHFFFAOYSA-N -1 0 348.346 3.926 20 0 EHADRM c1csc(CCCc2n[n-]c(=NCc3csc(C4CC4)n3)o2)c1 ZINC000347883242 1129976270 /nfs/dbraw/zinc/97/62/70/1129976270.db2.gz CUGXRUFJIJQZBF-UHFFFAOYSA-N -1 0 346.481 3.674 20 0 EHADRM C[C@@H](CNC(=O)c1ccc2[n-]c(=S)oc2c1)Oc1ccccc1F ZINC000074088825 1129992643 /nfs/dbraw/zinc/99/26/43/1129992643.db2.gz XJSNROWLUXJDFM-JTQLQIEISA-N -1 0 346.383 3.827 20 0 EHADRM CC(C)(C)Cc1n[n-]c(=NCc2c[nH]nc2-c2ccc(Cl)cc2)o1 ZINC000347892867 1129993998 /nfs/dbraw/zinc/99/39/98/1129993998.db2.gz ZUKACBABTAYUIQ-UHFFFAOYSA-N -1 0 345.834 3.736 20 0 EHADRM CC1(C)CC(C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)C1 ZINC000701489637 1130143066 /nfs/dbraw/zinc/14/30/66/1130143066.db2.gz FORGPSMKANQFTP-UHFFFAOYSA-N -1 0 326.190 3.522 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c(O)c1 ZINC000485396548 1130169558 /nfs/dbraw/zinc/16/95/58/1130169558.db2.gz XEEZBPHDRCBWCY-UHFFFAOYSA-N -1 0 348.207 3.508 20 0 EHADRM COC(=O)c1[nH]cnc1NC(=O)c1sc2cc(C)c(C)cc2c1C ZINC001128847487 1130206848 /nfs/dbraw/zinc/20/68/48/1130206848.db2.gz PQXMVBNQYXPQPP-UHFFFAOYSA-N -1 0 343.408 3.589 20 0 EHADRM CCN(C(=O)c1c([O-])cc(F)cc1F)[C@@H](C)c1cccc(OC)c1 ZINC000173806886 1130317032 /nfs/dbraw/zinc/31/70/32/1130317032.db2.gz YBWSBTPFYNLRML-NSHDSACASA-N -1 0 335.350 3.902 20 0 EHADRM COc1cccc(S(=O)(=O)[N-]c2cc(C3CCCCCC3)[nH]n2)c1 ZINC000675547643 1130426404 /nfs/dbraw/zinc/42/64/04/1130426404.db2.gz ZJVORYIMKPSNEF-UHFFFAOYSA-N -1 0 349.456 3.657 20 0 EHADRM Cc1c(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)cccc1C(=O)[O-] ZINC000675965844 1130510937 /nfs/dbraw/zinc/51/09/37/1130510937.db2.gz CDYANQLRBOHXTR-KBPBESRZSA-N -1 0 331.318 3.714 20 0 EHADRM O=C([O-])CN(CC1CC1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000675974737 1130513251 /nfs/dbraw/zinc/51/32/51/1130513251.db2.gz YUWRPYIGDWPNPD-UHFFFAOYSA-N -1 0 337.419 3.532 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N(CC(=O)[O-])C2CCCCC2)c1 ZINC000675992598 1130513751 /nfs/dbraw/zinc/51/37/51/1130513751.db2.gz KBLCNTOVLKEQDF-UHFFFAOYSA-N -1 0 341.860 3.921 20 0 EHADRM CC(C)[C@H](Sc1ccccc1)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000676214572 1130549440 /nfs/dbraw/zinc/54/94/40/1130549440.db2.gz HIDBWMNIFFSDKL-YOEHRIQHSA-N -1 0 335.469 3.517 20 0 EHADRM CCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000732613330 1130942149 /nfs/dbraw/zinc/94/21/49/1130942149.db2.gz HEQLANMEUQAAFR-OAHLLOKOSA-N -1 0 345.464 3.985 20 0 EHADRM CCC(CC)CS(=O)(=O)[N-]C(=O)C[C@H](c1ccccc1)C(C)C ZINC000733060804 1130990271 /nfs/dbraw/zinc/99/02/71/1130990271.db2.gz CLGWICYZFXPWHG-KRWDZBQOSA-N -1 0 339.501 3.699 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cc(C)sc1C ZINC000734080987 1131194934 /nfs/dbraw/zinc/19/49/34/1131194934.db2.gz FGTIOFUKBABPDN-CQSZACIVSA-N -1 0 343.514 3.776 20 0 EHADRM C[C@@H](CC(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1)C1CCCCC1 ZINC000737344580 1131447521 /nfs/dbraw/zinc/44/75/21/1131447521.db2.gz JWSIJGKXZXOVEI-GJZGRUSLSA-N -1 0 337.485 3.800 20 0 EHADRM CCCCN(C(=O)NCC1(C(=O)[O-])CCC1)[C@@H](C)c1ccc(C)o1 ZINC000737821490 1131456571 /nfs/dbraw/zinc/45/65/71/1131456571.db2.gz JMOHFMLNNMCACY-AWEZNQCLSA-N -1 0 336.432 3.716 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)c2sccc2OC(F)F)cc1 ZINC000738559915 1131471237 /nfs/dbraw/zinc/47/12/37/1131471237.db2.gz RMJVBHDFWHTMHK-UTCJRWHESA-N -1 0 339.319 3.700 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)C[C@H](CC)c1ccc(C)cc1 ZINC000739185607 1131493052 /nfs/dbraw/zinc/49/30/52/1131493052.db2.gz GECRVXJGSVDMJD-AWEZNQCLSA-N -1 0 325.474 3.513 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)c1cccc(Nc2ccccc2)c1 ZINC000741117898 1131577725 /nfs/dbraw/zinc/57/77/25/1131577725.db2.gz JEDQIKAKDCFFFP-UHFFFAOYSA-N -1 0 346.452 3.678 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1cc(Cl)c(N)c(Cl)c1 ZINC000741647943 1131629666 /nfs/dbraw/zinc/62/96/66/1131629666.db2.gz UDVFWUNBZJLWQL-UHFFFAOYSA-N -1 0 337.253 3.746 20 0 EHADRM C[C@H](C(=O)[N-]S(=O)(=O)/C=C/c1ccccc1)c1cccc(Cl)c1 ZINC000744009476 1132007456 /nfs/dbraw/zinc/00/74/56/1132007456.db2.gz RNFASIASGOUAAA-NHAQELONSA-N -1 0 349.839 3.560 20 0 EHADRM O=S(=O)([O-])c1cccc2cc(Nc3ccc4c(c3)CCO4)ccc21 ZINC001174011359 1132202906 /nfs/dbraw/zinc/20/29/06/1132202906.db2.gz DFQIZRBQXOSFHZ-UHFFFAOYSA-N -1 0 341.388 3.765 20 0 EHADRM COc1cc(F)ccc1Nc1cc(Cl)c(C)cc1S(=O)(=O)[O-] ZINC001174131580 1132247287 /nfs/dbraw/zinc/24/72/87/1132247287.db2.gz WDHAWQGZTVOKIS-UHFFFAOYSA-N -1 0 345.779 3.786 20 0 EHADRM COc1ccc(F)c(Nc2ccc3ccccc3c2S(=O)(=O)[O-])c1 ZINC001174210570 1132286723 /nfs/dbraw/zinc/28/67/23/1132286723.db2.gz DPDCNLGUUAVSJJ-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM Cn1cnc2ccc(Nc3c(Cl)c(F)[n-]c(=O)c3Cl)cc21 ZINC001174346786 1132324972 /nfs/dbraw/zinc/32/49/72/1132324972.db2.gz PCPQVSDOINDPKN-UHFFFAOYSA-N -1 0 327.146 3.863 20 0 EHADRM O=S(=O)([O-])c1ccc2ccc(Nc3cnc4[nH]ccc4c3)cc2c1 ZINC001174398657 1132332628 /nfs/dbraw/zinc/33/26/28/1132332628.db2.gz XETDJLBFCDPLQI-UHFFFAOYSA-N -1 0 339.376 3.658 20 0 EHADRM Cc1nc(Nc2cccc(/C=C/C(=O)[O-])c2)ccc1Br ZINC001174493346 1132371284 /nfs/dbraw/zinc/37/12/84/1132371284.db2.gz AAAVJSUWPIMDPM-VMPITWQZSA-N -1 0 333.185 3.994 20 0 EHADRM COC(=O)[C@@H]1CCc2cc(Nc3cccc(/C=C/C(=O)[O-])c3)ccc21 ZINC001174499057 1132373450 /nfs/dbraw/zinc/37/34/50/1132373450.db2.gz LDGMFWRYOOCHOK-YPHWWSSASA-N -1 0 337.375 3.731 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)c2ccc3[n-]c(=S)oc3c2)cc1 ZINC000746119725 1132377921 /nfs/dbraw/zinc/37/79/21/1132377921.db2.gz FZYYBRIZRFNLAO-SNVBAGLBSA-N -1 0 328.393 3.616 20 0 EHADRM O=c1[n-]c(F)c(Cl)c(Nc2cnn([C@@H]3CCCCO3)c2)c1Cl ZINC001174598184 1132424596 /nfs/dbraw/zinc/42/45/96/1132424596.db2.gz MDFVIYCDJCPMHQ-QMMMGPOBSA-N -1 0 347.177 3.872 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc(NC(C)=O)c(Cl)c1 ZINC001174677323 1132433829 /nfs/dbraw/zinc/43/38/29/1132433829.db2.gz IRDUFUBDCABIQA-UHFFFAOYSA-N -1 0 334.759 3.749 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cccc(C(=O)NCC(C)C)c1 ZINC001174676559 1132433947 /nfs/dbraw/zinc/43/39/47/1132433947.db2.gz MRQLOLUNQFPGML-UHFFFAOYSA-N -1 0 342.395 3.523 20 0 EHADRM COc1cc(Nc2ccc(Br)cc2O)ccc1C(=O)[O-] ZINC001174685049 1132436000 /nfs/dbraw/zinc/43/60/00/1132436000.db2.gz MKGOVNWVMLJNIE-UHFFFAOYSA-N -1 0 338.157 3.605 20 0 EHADRM CCOC(=O)c1cc(F)c(C)c(Nc2ccc(C(=O)[O-])c(OC)c2)c1 ZINC001174686543 1132436644 /nfs/dbraw/zinc/43/66/44/1132436644.db2.gz QHYZWJSLCRFMAT-UHFFFAOYSA-N -1 0 347.342 3.761 20 0 EHADRM CCCC[C@H](CC)CNC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000746328276 1132452748 /nfs/dbraw/zinc/45/27/48/1132452748.db2.gz ZVYWDANNKZLDFR-AWEZNQCLSA-N -1 0 330.428 3.672 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)CC(C)(C)CC(=O)[O-] ZINC000190649338 1132455117 /nfs/dbraw/zinc/45/51/17/1132455117.db2.gz QEPUTQJYWOFVEF-GFCCVEGCSA-N -1 0 325.836 3.620 20 0 EHADRM CC(C)(C)OC(=O)NCc1cncc(Nc2ccc(C(=O)[O-])s2)c1 ZINC001174807666 1132478956 /nfs/dbraw/zinc/47/89/56/1132478956.db2.gz LVACZLIPFBTCJI-UHFFFAOYSA-N -1 0 349.412 3.610 20 0 EHADRM CCc1cc(Br)ncc1Nc1ccc(C(=O)[O-])s1 ZINC001174808241 1132479117 /nfs/dbraw/zinc/47/91/17/1132479117.db2.gz QYJXPXJGHCBVEM-UHFFFAOYSA-N -1 0 327.203 3.910 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(OC3CCOCC3)c(F)c2)s1 ZINC001174807553 1132479420 /nfs/dbraw/zinc/47/94/20/1132479420.db2.gz MFVLXTURSHNKQZ-UHFFFAOYSA-N -1 0 337.372 3.887 20 0 EHADRM O=S(=O)([O-])c1ccc(Cl)c(Nc2cccc3cccnc32)c1 ZINC001174860943 1132489609 /nfs/dbraw/zinc/48/96/09/1132489609.db2.gz JXIBTROZGJLBGT-UHFFFAOYSA-N -1 0 334.784 3.879 20 0 EHADRM Cc1ccc(/C=C/S(=O)(=O)[N-][C@H](C(C)(C)C)C(F)(F)F)cc1 ZINC000746401254 1132511880 /nfs/dbraw/zinc/51/18/80/1132511880.db2.gz RTHDSXLZCPXUID-WTNCMQEWSA-N -1 0 335.391 3.862 20 0 EHADRM Cc1ccc(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)cc1N ZINC001174936393 1132512491 /nfs/dbraw/zinc/51/24/91/1132512491.db2.gz HAZLXESGSRLOEM-UHFFFAOYSA-N -1 0 328.393 3.721 20 0 EHADRM Cc1ccc(Nc2ccc3ccccc3c2S(=O)(=O)[O-])cc1N ZINC001174937755 1132512819 /nfs/dbraw/zinc/51/28/19/1132512819.db2.gz CDLYVBNSKHGAES-UHFFFAOYSA-N -1 0 328.393 3.721 20 0 EHADRM O=C([O-])Cc1ccc(Nc2ccccc2C(=O)Nc2cccnc2)cc1 ZINC001174953743 1132517703 /nfs/dbraw/zinc/51/77/03/1132517703.db2.gz MHQXZQOCRSNNAY-UHFFFAOYSA-N -1 0 347.374 3.705 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000392719223 1132520932 /nfs/dbraw/zinc/52/09/32/1132520932.db2.gz ODGMZMXPTYHWOE-LBPRGKRZSA-N -1 0 347.386 3.843 20 0 EHADRM COc1cccc(F)c1Nc1ccc2c(cccc2S(=O)(=O)[O-])c1 ZINC001174994202 1132524771 /nfs/dbraw/zinc/52/47/71/1132524771.db2.gz NHYLKTKOIBXMJO-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM CC(C)COc1cc(F)cc(Nc2cccc(S(=O)(=O)[O-])c2)c1 ZINC001175060319 1132538058 /nfs/dbraw/zinc/53/80/58/1132538058.db2.gz LDUKONGCAIAUEL-UHFFFAOYSA-N -1 0 339.388 3.851 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(F)cnc2Br)cc1F ZINC001175154822 1132568707 /nfs/dbraw/zinc/56/87/07/1132568707.db2.gz UPESFJIAIXYKTM-UHFFFAOYSA-N -1 0 329.100 3.564 20 0 EHADRM Cc1cc(N)c(Nc2ccc(C(=O)[O-])c(F)c2)c(Br)c1 ZINC001175158051 1132570069 /nfs/dbraw/zinc/57/00/69/1132570069.db2.gz MJCWTZUCSOTYGB-UHFFFAOYSA-N -1 0 339.164 3.921 20 0 EHADRM CCc1ncc(Br)cc1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175159022 1132570436 /nfs/dbraw/zinc/57/04/36/1132570436.db2.gz WFQQURWIVGIYDS-UHFFFAOYSA-N -1 0 339.164 3.987 20 0 EHADRM Cc1c(Br)cncc1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175161315 1132573726 /nfs/dbraw/zinc/57/37/26/1132573726.db2.gz MYCNAFPCMFNOLU-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM O=S(=O)([O-])c1ccc(Cl)c(Nc2c(F)cc(F)cc2F)c1 ZINC001175146027 1132581384 /nfs/dbraw/zinc/58/13/84/1132581384.db2.gz DAJFLMVPRYDOFN-UHFFFAOYSA-N -1 0 337.706 3.748 20 0 EHADRM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)[N-]Oc1ccccc1 ZINC000773466313 1132585307 /nfs/dbraw/zinc/58/53/07/1132585307.db2.gz IYFQGJBIQTXDAV-JTQLQIEISA-N -1 0 326.179 3.871 20 0 EHADRM Cc1cccc(-c2cc(Nc3ccc(F)c(C(=O)[O-])c3)n(C)n2)c1 ZINC001175220381 1132598813 /nfs/dbraw/zinc/59/88/13/1132598813.db2.gz NBHJXVURUACQQU-UHFFFAOYSA-N -1 0 325.343 3.976 20 0 EHADRM CN(c1ccc(F)c(C(=O)[O-])c1)c1cc(Br)ccc1N ZINC001175223093 1132599752 /nfs/dbraw/zinc/59/97/52/1132599752.db2.gz ARQISLMHYZRKJD-UHFFFAOYSA-N -1 0 339.164 3.637 20 0 EHADRM CCOc1cccc(F)c1Nc1ccc(S(=O)(=O)[O-])cc1Cl ZINC001175225330 1132600866 /nfs/dbraw/zinc/60/08/66/1132600866.db2.gz ULKASCJVXULTPX-UHFFFAOYSA-N -1 0 345.779 3.868 20 0 EHADRM CSc1ccc(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1 ZINC001168915317 1132604663 /nfs/dbraw/zinc/60/46/63/1132604663.db2.gz VYDWNQRJDLXNQW-UHFFFAOYSA-N -1 0 325.393 3.552 20 0 EHADRM COc1cc(C(F)(F)F)cc(-c2cc(F)c(F)c(C(=O)[O-])c2)n1 ZINC001205996308 1132619553 /nfs/dbraw/zinc/61/95/53/1132619553.db2.gz FQJPVBGSRLZUJP-UHFFFAOYSA-N -1 0 333.212 3.752 20 0 EHADRM O=C([O-])c1cccc(Nc2ccnc(Cl)c2Br)c1 ZINC001175328594 1132640043 /nfs/dbraw/zinc/64/00/43/1132640043.db2.gz LVIGIFCQXJJHGL-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM O=C([O-])c1cccc(Nc2ccc(OC[C@@H]3CCCO3)c(F)c2)c1 ZINC001175328671 1132640296 /nfs/dbraw/zinc/64/02/96/1132640296.db2.gz AVLWQRWELOTHCM-HNNXBMFYSA-N -1 0 331.343 3.825 20 0 EHADRM COc1ncc(C)cc1Nc1ccc(F)c(Br)c1[O-] ZINC001175338670 1132643342 /nfs/dbraw/zinc/64/33/42/1132643342.db2.gz FMKYTNVIGROPTN-UHFFFAOYSA-N -1 0 327.153 3.749 20 0 EHADRM Fc1cc(CNc2ccc3oc(=S)[n-]c3c2)c2c(c1)COCO2 ZINC001169097597 1132654614 /nfs/dbraw/zinc/65/46/14/1132654614.db2.gz QIDSFASOSPIRNI-UHFFFAOYSA-N -1 0 332.356 3.734 20 0 EHADRM Cn1cc2cccc(Nc3c(Cl)c(F)[n-]c(=O)c3Cl)c2n1 ZINC001175457006 1132687628 /nfs/dbraw/zinc/68/76/28/1132687628.db2.gz UKRJKCWYSZYDTF-UHFFFAOYSA-N -1 0 327.146 3.863 20 0 EHADRM Cc1n[nH]c2cc(Nc3cc(S(=O)(=O)[O-])ccc3Cl)ccc12 ZINC001175665840 1132734122 /nfs/dbraw/zinc/73/41/22/1132734122.db2.gz TVXPAGNCOFDKNH-UHFFFAOYSA-N -1 0 337.788 3.515 20 0 EHADRM C[C@@H]1CCCC[C@H]1CC(=O)Nc1nccc(Br)c1[O-] ZINC001169382800 1132743281 /nfs/dbraw/zinc/74/32/81/1132743281.db2.gz KAQSXMWCVKSOLI-ZJUUUORDSA-N -1 0 327.222 3.705 20 0 EHADRM O=S(=O)([O-])c1ccc2c(cccc2Nc2cnn(C3CCC3)c2)c1 ZINC001175758743 1132759197 /nfs/dbraw/zinc/75/91/97/1132759197.db2.gz MSCNVDNUYGBJHT-UHFFFAOYSA-N -1 0 343.408 3.752 20 0 EHADRM COc1cc(F)c(C(C)C)cc1Nc1ccc(S(=O)(=O)[O-])cc1 ZINC001175828620 1132769629 /nfs/dbraw/zinc/76/96/29/1132769629.db2.gz CSPUGIILVGTQTP-UHFFFAOYSA-N -1 0 339.388 3.948 20 0 EHADRM O=C([O-])c1cncc(Nc2cnc3c(Br)cccc3c2)c1 ZINC001175839885 1132772869 /nfs/dbraw/zinc/77/28/69/1132772869.db2.gz FUNOMQZPMXZKQS-UHFFFAOYSA-N -1 0 344.168 3.834 20 0 EHADRM Cc1nc(-c2ccc(C)cc2)c(CC(=O)[N-]OCC(F)(F)F)s1 ZINC000766763485 1132795584 /nfs/dbraw/zinc/79/55/84/1132795584.db2.gz SLEMDHYCPDTNFM-UHFFFAOYSA-N -1 0 344.358 3.580 20 0 EHADRM COC(=O)C1(c2ccc(Nc3ccc([S-])c(OC)c3)cc2)CC1 ZINC001175922033 1132798238 /nfs/dbraw/zinc/79/82/38/1132798238.db2.gz PAGLVKBNYXSGCR-UHFFFAOYSA-N -1 0 329.421 3.932 20 0 EHADRM C[C@H]1CCC[C@@H](OCCCCCC(=O)NOCC(F)(F)F)C1 ZINC000766828691 1132855997 /nfs/dbraw/zinc/85/59/97/1132855997.db2.gz XYPOSDKJJSKCBL-QWHCGFSZSA-N -1 0 325.371 3.752 20 0 EHADRM COc1ccccc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000766860299 1132886627 /nfs/dbraw/zinc/88/66/27/1132886627.db2.gz KFZMXPBJMZQQBR-KBPBESRZSA-N -1 0 345.782 3.789 20 0 EHADRM Cc1cccc(N)c1-c1c(C)cccc1Nc1cnn(CC(=O)[O-])c1 ZINC001176271094 1132900066 /nfs/dbraw/zinc/90/00/66/1132900066.db2.gz NDMFXRKQSGQCIJ-UHFFFAOYSA-N -1 0 336.395 3.577 20 0 EHADRM CC[C@](C)(NC(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000766964245 1132923615 /nfs/dbraw/zinc/92/36/15/1132923615.db2.gz VUURSPWXYUIJFD-ZBKLQPJUSA-N -1 0 349.736 3.742 20 0 EHADRM COC(=O)c1sc2nc(C)ccc2c1Nc1csc(C(=O)[O-])c1 ZINC001176436284 1132928645 /nfs/dbraw/zinc/92/86/45/1132928645.db2.gz SMLDHOKXXKRAHP-UHFFFAOYSA-N -1 0 348.405 3.895 20 0 EHADRM COc1ccccc1Cn1ncc(C)c1Nc1csc(C(=O)[O-])c1 ZINC001176437413 1132928792 /nfs/dbraw/zinc/92/87/92/1132928792.db2.gz ZBLLTZNLNWXIIU-UHFFFAOYSA-N -1 0 343.408 3.752 20 0 EHADRM COc1ccc(-c2ccccn2)nc1Nc1csc(C(=O)[O-])c1 ZINC001176437670 1132928820 /nfs/dbraw/zinc/92/88/20/1132928820.db2.gz URUSQQNWKLYZAC-UHFFFAOYSA-N -1 0 327.365 3.656 20 0 EHADRM COC(=O)c1c(F)ccc(Nc2csc(C(=O)[O-])c2)c1Cl ZINC001176441133 1132929677 /nfs/dbraw/zinc/92/96/77/1132929677.db2.gz WIJJDVHBJRXBQR-UHFFFAOYSA-N -1 0 329.736 3.769 20 0 EHADRM CN(c1csc(C(=O)[O-])c1)c1cc(Br)ccc1N ZINC001176439121 1132929892 /nfs/dbraw/zinc/92/98/92/1132929892.db2.gz LDZSGOVUVLYQNG-UHFFFAOYSA-N -1 0 327.203 3.559 20 0 EHADRM COc1cccc(Br)c1Nc1csc(C(=O)[O-])c1 ZINC001176441902 1132931162 /nfs/dbraw/zinc/93/11/62/1132931162.db2.gz XRHBCSUNXUPDQN-UHFFFAOYSA-N -1 0 328.187 3.961 20 0 EHADRM O=C([O-])Cn1ccc2cc(NC(=O)/C=C\c3ccccc3F)ccc21 ZINC000767136552 1132955681 /nfs/dbraw/zinc/95/56/81/1132955681.db2.gz AJMWWPISQGUMKS-YVMONPNESA-N -1 0 338.338 3.517 20 0 EHADRM COC(=O)c1sc(C)cc1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176581200 1132959714 /nfs/dbraw/zinc/95/97/14/1132959714.db2.gz KFPDAMKPTYKCES-UHFFFAOYSA-N -1 0 331.393 3.703 20 0 EHADRM CCOC(=O)c1ccc(F)cc1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176589471 1132962761 /nfs/dbraw/zinc/96/27/61/1132962761.db2.gz GJLJLSQWUUHXLU-UHFFFAOYSA-N -1 0 343.354 3.862 20 0 EHADRM COc1ccccc1-c1cc(Nc2ccc(/C=C/C(=O)[O-])cc2)n(C)n1 ZINC001176592360 1132963343 /nfs/dbraw/zinc/96/33/43/1132963343.db2.gz ZNSMCHCILSEQPF-FMIVXFBMSA-N -1 0 349.390 3.937 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2ccc(-n3ccccc3=O)cc2)cc1 ZINC001176596081 1132964122 /nfs/dbraw/zinc/96/41/22/1132964122.db2.gz WDIULGTYOOQOSU-AWNIVKPZSA-N -1 0 332.359 3.679 20 0 EHADRM COCCCN(c1ccc(/C=C/C(=O)[O-])cc1)c1ccccc1N ZINC001176596343 1132964390 /nfs/dbraw/zinc/96/43/90/1132964390.db2.gz AXHXRNVIDVRSAI-FMIVXFBMSA-N -1 0 326.396 3.541 20 0 EHADRM COC(=O)Cc1ccc(Cl)c(Nc2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC001176595673 1132964644 /nfs/dbraw/zinc/96/46/44/1132964644.db2.gz OFHOUCTWNXRDAW-WEVVVXLNSA-N -1 0 345.782 3.897 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(Br)cc(F)c2O)cc1 ZINC001176715825 1132995756 /nfs/dbraw/zinc/99/57/56/1132995756.db2.gz RIGIYWHDODKRMR-UHFFFAOYSA-N -1 0 326.121 3.736 20 0 EHADRM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cccc2ccsc21 ZINC000767991780 1133079384 /nfs/dbraw/zinc/07/93/84/1133079384.db2.gz YPCBEJKEJXEHTG-LBPRGKRZSA-N -1 0 345.445 3.722 20 0 EHADRM O=C(c1c([O-])cccc1Cl)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000768572244 1133157374 /nfs/dbraw/zinc/15/73/74/1133157374.db2.gz HDSKMJBMPVVFHG-SNVBAGLBSA-N -1 0 327.767 3.766 20 0 EHADRM CCc1cnccc1[C@H](C)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000773764779 1133192420 /nfs/dbraw/zinc/19/24/20/1133192420.db2.gz QQDMSGXMIGEBLM-JTQLQIEISA-N -1 0 327.409 3.565 20 0 EHADRM COc1ccccc1C1(C(=O)Nc2ccc3[n-]c(=S)oc3c2)CC1 ZINC000769244788 1133250195 /nfs/dbraw/zinc/25/01/95/1133250195.db2.gz QSBDIZFYPZNWBI-UHFFFAOYSA-N -1 0 340.404 3.795 20 0 EHADRM O=C(NOCC(F)(F)F)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000769307586 1133257671 /nfs/dbraw/zinc/25/76/71/1133257671.db2.gz OWPLKTLJSQLPIY-UHFFFAOYSA-N -1 0 345.704 3.936 20 0 EHADRM C[C@H]1CN(C(=O)c2cccc(Br)c2[O-])Cc2ccccc21 ZINC000769616710 1133322307 /nfs/dbraw/zinc/32/23/07/1133322307.db2.gz WNJIAZWIKQKGBW-NSHDSACASA-N -1 0 346.224 3.914 20 0 EHADRM O=C([O-])C1(C(=O)Nc2c(Cl)ccc3ncccc32)CCCCC1 ZINC001180436676 1133369893 /nfs/dbraw/zinc/36/98/93/1133369893.db2.gz QPTMCQNPWGHJBH-UHFFFAOYSA-N -1 0 332.787 3.862 20 0 EHADRM CCc1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)cc1C ZINC000770411101 1133424823 /nfs/dbraw/zinc/42/48/23/1133424823.db2.gz HMSXGHCAJJMTQU-UHFFFAOYSA-N -1 0 339.420 3.747 20 0 EHADRM O=C([O-])c1cc(Br)ccc1NCCC(=O)c1ccccc1 ZINC001170020203 1133491728 /nfs/dbraw/zinc/49/17/28/1133491728.db2.gz NYCOEIPJPQCMHE-UHFFFAOYSA-N -1 0 348.196 3.832 20 0 EHADRM CCNc1cccnc1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC001151054954 1133515532 /nfs/dbraw/zinc/51/55/32/1133515532.db2.gz HTPIUFNPCXLSAH-UHFFFAOYSA-N -1 0 326.183 3.778 20 0 EHADRM O=C(Nc1c[nH]ccc1=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC001182366455 1133645105 /nfs/dbraw/zinc/64/51/05/1133645105.db2.gz AIPRDCZYKRAVOA-UHFFFAOYSA-N -1 0 340.766 3.653 20 0 EHADRM O=C(NCc1ccnc2ccccc12)c1cc(F)c([O-])c(Cl)c1 ZINC000772345839 1133676553 /nfs/dbraw/zinc/67/65/53/1133676553.db2.gz PIOGFLWARXXTIC-UHFFFAOYSA-N -1 0 330.746 3.663 20 0 EHADRM CC1(C)c2ccccc2CCN1Cc1ncc(Br)cc1[O-] ZINC001182520494 1133697266 /nfs/dbraw/zinc/69/72/66/1133697266.db2.gz HTHZFVYUPLZEHN-UHFFFAOYSA-N -1 0 347.256 3.843 20 0 EHADRM O=C(Cc1ccc([S-])cc1)Nc1ccc2ncnc(Cl)c2c1 ZINC001183187093 1133776511 /nfs/dbraw/zinc/77/65/11/1133776511.db2.gz KIRZZUSLQXBHAY-UHFFFAOYSA-N -1 0 329.812 3.753 20 0 EHADRM O=C([N-]CCCSCc1cccc(F)c1Cl)C(F)(F)F ZINC000774680645 1133856788 /nfs/dbraw/zinc/85/67/88/1133856788.db2.gz YHYSPNMYTUJWMX-UHFFFAOYSA-N -1 0 329.746 3.781 20 0 EHADRM CC(C)CCC[C@@H](C)[N-]S(=O)(=O)c1occc1Br ZINC001184534311 1133950234 /nfs/dbraw/zinc/95/02/34/1133950234.db2.gz OHSHTQSPVHARKN-SNVBAGLBSA-N -1 0 338.267 3.535 20 0 EHADRM O=C(Nc1cc(=O)[n-]c(Cl)n1)C1(CC2CC2)CCC(F)(F)CC1 ZINC001184657676 1133973323 /nfs/dbraw/zinc/97/33/23/1133973323.db2.gz ISEUKYHRGWAWCY-UHFFFAOYSA-N -1 0 345.777 3.770 20 0 EHADRM O=S(=O)([N-]c1ccccc1-c1cccnc1)c1cccnc1Cl ZINC001184879774 1134001886 /nfs/dbraw/zinc/00/18/86/1134001886.db2.gz BQUANEDTJCKPAU-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM CCCCC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC001185233213 1134054726 /nfs/dbraw/zinc/05/47/26/1134054726.db2.gz STHHVDGXTDOORZ-SECBINFHSA-N -1 0 325.808 3.865 20 0 EHADRM CSc1cc(C)nc(SC)c1[N-]S(=O)(=O)c1ccsc1 ZINC001185342072 1134074928 /nfs/dbraw/zinc/07/49/28/1134074928.db2.gz QSQSSYSNCKDHIV-UHFFFAOYSA-N -1 0 346.524 3.696 20 0 EHADRM O=S(=O)([N-]c1cc(C2CCC2)no1)c1cc2ccccc2s1 ZINC001185425734 1134082876 /nfs/dbraw/zinc/08/28/76/1134082876.db2.gz DHCDMNKXTQAXFZ-UHFFFAOYSA-N -1 0 334.422 3.958 20 0 EHADRM O=C(C=C([O-])c1ccccc1Cl)NC1C2CC3CC(C2)CC1C3 ZINC001185435922 1134086554 /nfs/dbraw/zinc/08/65/54/1134086554.db2.gz LOBGECABKKJACH-UHFFFAOYSA-N -1 0 331.843 3.854 20 0 EHADRM O=C(NCc1ccc(F)cc1)Nc1cccc(O)c1Br ZINC001185480141 1134096114 /nfs/dbraw/zinc/09/61/14/1134096114.db2.gz KPUKVWFNDYCZID-UHFFFAOYSA-N -1 0 339.164 3.616 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2O)ccc1Cl ZINC001185524798 1134103102 /nfs/dbraw/zinc/10/31/02/1134103102.db2.gz LIFUUANHDQNNND-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)C(=O)[N-]OC1CCCCC1)c1ccccc1 ZINC000788235397 1134103941 /nfs/dbraw/zinc/10/39/41/1134103941.db2.gz RLBKIDJLMWKDSS-KRWDZBQOSA-N -1 0 346.471 3.661 20 0 EHADRM O=C(Nc1ccc2c(c1)CCC2)Nc1ncc(Br)cc1[O-] ZINC001185727330 1134125879 /nfs/dbraw/zinc/12/58/79/1134125879.db2.gz OMKJWNOCGVQCLR-UHFFFAOYSA-N -1 0 348.200 3.682 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1cnc2cccc(F)c2c1 ZINC001185801826 1134135279 /nfs/dbraw/zinc/13/52/79/1134135279.db2.gz VEBMEAPMVXWDCG-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM CCOC(=O)c1cc2cc[nH]c2cc1NC(=O)c1cccc([S-])c1 ZINC001186153278 1134176200 /nfs/dbraw/zinc/17/62/00/1134176200.db2.gz YQQPIXFYGRRPGH-UHFFFAOYSA-N -1 0 340.404 3.886 20 0 EHADRM Cn1c2ccccc2nc1[N-]S(=O)(=O)c1csc2ccccc21 ZINC001186452320 1134214072 /nfs/dbraw/zinc/21/40/72/1134214072.db2.gz PHMQBDCNCYUYLT-UHFFFAOYSA-N -1 0 343.433 3.589 20 0 EHADRM O=S(=O)([N-]c1cccc2ocnc21)c1csc2ccccc21 ZINC001186494147 1134221650 /nfs/dbraw/zinc/22/16/50/1134221650.db2.gz OLLMPHXSTKFACW-UHFFFAOYSA-N -1 0 330.390 3.843 20 0 EHADRM Cn1ncc2c1cccc2[N-]S(=O)(=O)c1csc2ccccc21 ZINC001186496010 1134222534 /nfs/dbraw/zinc/22/25/34/1134222534.db2.gz ZSQOWQWXVCAMHX-UHFFFAOYSA-N -1 0 343.433 3.589 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)[C@@H](O)CC2)c1csc2ccccc21 ZINC001186508536 1134226839 /nfs/dbraw/zinc/22/68/39/1134226839.db2.gz HRAMKLKGBQKEDW-HNNXBMFYSA-N -1 0 345.445 3.682 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001186778425 1134256908 /nfs/dbraw/zinc/25/69/08/1134256908.db2.gz FFHLDHNUVCGYHK-AOOOYVTPSA-N -1 0 333.309 3.536 20 0 EHADRM COc1ccc(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccco1 ZINC001186796583 1134259123 /nfs/dbraw/zinc/25/91/23/1134259123.db2.gz AGRNYACNYCUCIA-UHFFFAOYSA-N -1 0 329.377 3.756 20 0 EHADRM O=S(=O)([N-]c1cnc2ccccc2c1C(F)(F)F)c1ccco1 ZINC001186819955 1134262764 /nfs/dbraw/zinc/26/27/64/1134262764.db2.gz KVEPDAPSFMKGPQ-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)[C@@H]1CCCCC1(C)C ZINC000789463320 1134279225 /nfs/dbraw/zinc/27/92/25/1134279225.db2.gz LOOHQIDAVHTESJ-LBPRGKRZSA-N -1 0 343.876 3.670 20 0 EHADRM CC(=O)c1sccc1[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187184972 1134306392 /nfs/dbraw/zinc/30/63/92/1134306392.db2.gz NTPAAHFBPVEPHP-UHFFFAOYSA-N -1 0 341.479 3.692 20 0 EHADRM O=S(=O)([N-]c1ccnc(C2CC2)c1)c1cc2c(s1)CCCC2 ZINC001187188796 1134307009 /nfs/dbraw/zinc/30/70/09/1134307009.db2.gz LITRIZQDKZCOTC-UHFFFAOYSA-N -1 0 334.466 3.700 20 0 EHADRM Cc1oncc1S(=O)(=O)[N-]c1ccccc1Oc1ccccc1C ZINC001187369839 1134327929 /nfs/dbraw/zinc/32/79/29/1134327929.db2.gz YMJOFNRDQLZSAC-UHFFFAOYSA-N -1 0 344.392 3.885 20 0 EHADRM O=C(Nc1cccc(Br)c1)Nc1ncc(Cl)cc1[O-] ZINC001187433706 1134339462 /nfs/dbraw/zinc/33/94/62/1134339462.db2.gz VXVUNESOXIWTGP-UHFFFAOYSA-N -1 0 342.580 3.847 20 0 EHADRM Cc1nc(CC2CC2)oc1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000789816450 1134339556 /nfs/dbraw/zinc/33/95/56/1134339556.db2.gz MSKKGCCSDSYRFE-UHFFFAOYSA-N -1 0 329.381 3.618 20 0 EHADRM COc1c(CNC(=O)c2cccc(Cl)c2[O-])oc2ccccc21 ZINC000789860667 1134341507 /nfs/dbraw/zinc/34/15/07/1134341507.db2.gz HZAIAKYUMRLPHH-UHFFFAOYSA-N -1 0 331.755 3.730 20 0 EHADRM C[C@@H]1CN(c2ccccc2F)CCN1C(=O)c1cccc(Cl)c1[O-] ZINC000789870247 1134343078 /nfs/dbraw/zinc/34/30/78/1134343078.db2.gz IGONGEWZSLUKHJ-GFCCVEGCSA-N -1 0 348.805 3.536 20 0 EHADRM C[C@H]1CC(C)(C)CC[C@H]1[N-]S(=O)(=O)c1onc(C2CC2)c1Cl ZINC001187761072 1134381023 /nfs/dbraw/zinc/38/10/23/1134381023.db2.gz QFQMKPFDCPYZSU-GXSJLCMTSA-N -1 0 346.880 3.699 20 0 EHADRM CCC(CC)Oc1ccc(F)cc1[N-]S(=O)(=O)c1nccs1 ZINC001187899114 1134393581 /nfs/dbraw/zinc/39/35/81/1134393581.db2.gz ICYCVSJVIVKPQE-UHFFFAOYSA-N -1 0 344.433 3.650 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1Cl)c1nccs1 ZINC001187900141 1134394980 /nfs/dbraw/zinc/39/49/80/1134394980.db2.gz KRIMIEZNBQZGAE-UHFFFAOYSA-N -1 0 343.644 3.904 20 0 EHADRM O=S(=O)([N-]c1ccccc1Oc1ccccc1)c1nccs1 ZINC001187891016 1134398597 /nfs/dbraw/zinc/39/85/97/1134398597.db2.gz FUSBTJUVAYXMOO-UHFFFAOYSA-N -1 0 332.406 3.736 20 0 EHADRM O=S(=O)([N-]c1csc(Cl)c1)c1ccc(Cl)nc1Cl ZINC001187932710 1134402026 /nfs/dbraw/zinc/40/20/26/1134402026.db2.gz UPOPKYINZBLZRF-UHFFFAOYSA-N -1 0 343.644 3.904 20 0 EHADRM COc1cc2c(cc1[N-]S(=O)(=O)C1CCC1)oc1ccccc12 ZINC001188137802 1134431969 /nfs/dbraw/zinc/43/19/69/1134431969.db2.gz JOHUBZREVQNYRL-UHFFFAOYSA-N -1 0 331.393 3.889 20 0 EHADRM O=S(=O)([N-]c1cscn1)c1ccc(-c2ccc(F)cc2)cc1 ZINC001188430135 1134462202 /nfs/dbraw/zinc/46/22/02/1134462202.db2.gz LKJGKUHRUSPAGC-UHFFFAOYSA-N -1 0 334.397 3.750 20 0 EHADRM COc1ccc(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccoc1 ZINC001188569275 1134477208 /nfs/dbraw/zinc/47/72/08/1134477208.db2.gz FCVHBMYZJWKTPA-UHFFFAOYSA-N -1 0 329.377 3.756 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)cc(OC(F)(F)F)c1)c1ccoc1 ZINC001188610194 1134482465 /nfs/dbraw/zinc/48/24/65/1134482465.db2.gz KVMLOJLZJBGCES-UHFFFAOYSA-N -1 0 341.694 3.632 20 0 EHADRM CC(C)(C)Oc1ccc([C@@H]2CCN(C(=O)c3ccncc3[O-])C2)cc1 ZINC001188637021 1134492510 /nfs/dbraw/zinc/49/25/10/1134492510.db2.gz PNJAMBGKEUYWIG-OAHLLOKOSA-N -1 0 340.423 3.594 20 0 EHADRM O=C(OCc1csc(-c2ccccn2)n1)c1c(F)cc([O-])cc1F ZINC000746988641 1134518404 /nfs/dbraw/zinc/51/84/04/1134518404.db2.gz ZHVCDXKZKFKVMB-UHFFFAOYSA-N -1 0 348.330 3.546 20 0 EHADRM O=S(=O)(Cc1ccc(F)c(F)c1)Nc1cc(Cl)ccc1[S-] ZINC001189308965 1134568192 /nfs/dbraw/zinc/56/81/92/1134568192.db2.gz DQCJELKRGBTOIR-UHFFFAOYSA-N -1 0 349.811 3.849 20 0 EHADRM Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)c1O ZINC001189385782 1134577929 /nfs/dbraw/zinc/57/79/29/1134577929.db2.gz QDWZTZRLFFDRKF-UHFFFAOYSA-N -1 0 349.358 3.933 20 0 EHADRM CC1(C)C(CNS(=O)(=O)c2c(Cl)cccc2Cl)C1(C)C ZINC001189550301 1134597349 /nfs/dbraw/zinc/59/73/49/1134597349.db2.gz FJTWPJLWWGNYLO-UHFFFAOYSA-N -1 0 336.284 3.954 20 0 EHADRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000775296674 1134617508 /nfs/dbraw/zinc/61/75/08/1134617508.db2.gz INOKTSRJLFWDMD-UHFFFAOYSA-N -1 0 331.846 3.828 20 0 EHADRM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2onc(C3CC3)c2Cl)[C@H]1C ZINC001189794322 1134628038 /nfs/dbraw/zinc/62/80/38/1134628038.db2.gz QEINGMZTRFMDNP-JFGNBEQYSA-N -1 0 346.880 3.556 20 0 EHADRM O=C(NCOc1ccccc1)c1cc(Br)ccc1[S-] ZINC001189970568 1134638402 /nfs/dbraw/zinc/63/84/02/1134638402.db2.gz WTNGZVBQWRWPJB-UHFFFAOYSA-N -1 0 338.226 3.504 20 0 EHADRM CCCCCC(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccc(C)cc1F ZINC000792081824 1134652501 /nfs/dbraw/zinc/65/25/01/1134652501.db2.gz VHSUFBZAHCCROM-UHFFFAOYSA-N -1 0 343.464 3.687 20 0 EHADRM COc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccccc1 ZINC001190218934 1134671963 /nfs/dbraw/zinc/67/19/63/1134671963.db2.gz ODPHEPJVAFFIJQ-UHFFFAOYSA-N -1 0 331.315 3.515 20 0 EHADRM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190387078 1134689363 /nfs/dbraw/zinc/68/93/63/1134689363.db2.gz ATDYLEVAIDEXPL-UHFFFAOYSA-N -1 0 335.734 3.867 20 0 EHADRM CC(C)Oc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190387923 1134689473 /nfs/dbraw/zinc/68/94/73/1134689473.db2.gz OWVHVNBWZRFHKZ-UHFFFAOYSA-N -1 0 345.342 3.692 20 0 EHADRM O=S(=O)([N-]c1cccc2occc21)c1cc(F)cc(F)c1F ZINC001190395207 1134690385 /nfs/dbraw/zinc/69/03/85/1134690385.db2.gz GLQBWXKFPXNKJQ-UHFFFAOYSA-N -1 0 327.283 3.651 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2noc3cnccc32)cc1 ZINC001190431290 1134699365 /nfs/dbraw/zinc/69/93/65/1134699365.db2.gz HZXGRQDFUBAPGB-UHFFFAOYSA-N -1 0 345.424 3.711 20 0 EHADRM O=S(=O)([N-]c1nc2c(cccc2O)s1)c1ccc(C2CC2)cc1 ZINC001190460103 1134704895 /nfs/dbraw/zinc/70/48/95/1134704895.db2.gz FNQXBVUFNDEUTO-UHFFFAOYSA-N -1 0 346.433 3.680 20 0 EHADRM CCOc1ccc(C(=O)[N-]c2c(SC)cc(C)nc2SC)nc1 ZINC001190778489 1134750125 /nfs/dbraw/zinc/75/01/25/1134750125.db2.gz VRPLLCXCYJGNRR-UHFFFAOYSA-N -1 0 349.481 3.880 20 0 EHADRM CCS(=O)(=O)c1ccc(CNc2ccc3oc(=S)[n-]c3c2)cc1 ZINC001170332385 1134751809 /nfs/dbraw/zinc/75/18/09/1134751809.db2.gz LBTAXRUXKWCKNW-UHFFFAOYSA-N -1 0 348.449 3.522 20 0 EHADRM O=c1cc(-c2nc(-c3ccc(Cl)cc3)no2)[n-]n1-c1ccccc1 ZINC001212602406 1134765608 /nfs/dbraw/zinc/76/56/08/1134765608.db2.gz XYSCCVLNEHFOKK-UHFFFAOYSA-N -1 0 338.754 3.531 20 0 EHADRM Cc1cc[nH]c(=O)c1C(=O)Nc1cc(Cl)c(C)c(Cl)c1[O-] ZINC001190975885 1134773024 /nfs/dbraw/zinc/77/30/24/1134773024.db2.gz LUGPCFXVNWLTKT-UHFFFAOYSA-N -1 0 327.167 3.669 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)cc1C ZINC001191193160 1134823346 /nfs/dbraw/zinc/82/33/46/1134823346.db2.gz UZQRHARTTUCVBJ-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM CCc1cccc([N-]S(=O)(=O)c2cc(C(C)C)ccc2OC)n1 ZINC001191662994 1134901067 /nfs/dbraw/zinc/90/10/67/1134901067.db2.gz YJVZJXLODVDLHP-UHFFFAOYSA-N -1 0 334.441 3.577 20 0 EHADRM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2ccc(F)cn2)c1Cl ZINC001191721864 1134905366 /nfs/dbraw/zinc/90/53/66/1134905366.db2.gz GJHSKWSABDQUTH-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM COc1cccnc1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1Cl ZINC001191727918 1134905959 /nfs/dbraw/zinc/90/59/59/1134905959.db2.gz CCCUOUXUBIOCMM-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(C(F)F)cn1 ZINC001191791945 1134924414 /nfs/dbraw/zinc/92/44/14/1134924414.db2.gz ITBTVSWFZDLUDC-UHFFFAOYSA-N -1 0 342.367 3.527 20 0 EHADRM Cc1cc(Cl)nc([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)c1 ZINC001191866643 1134938262 /nfs/dbraw/zinc/93/82/62/1134938262.db2.gz YFWLFYSJELTQKU-UHFFFAOYSA-N -1 0 349.214 3.778 20 0 EHADRM COc1ccc(F)cc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1F ZINC001191897867 1134940822 /nfs/dbraw/zinc/94/08/22/1134940822.db2.gz IAZXZOCFHCZHSV-UHFFFAOYSA-N -1 0 347.770 3.569 20 0 EHADRM Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3cc(F)ccn3)cc2)cc1 ZINC001192063428 1134964087 /nfs/dbraw/zinc/96/40/87/1134964087.db2.gz KUQLSRITNZLTEL-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM Cc1ccc2c(c1)CC[C@@H](C(=O)Nc1ccc3[n-]c(=S)oc3c1)O2 ZINC000793668139 1134979743 /nfs/dbraw/zinc/97/97/43/1134979743.db2.gz WEOUUPNNPBYDHL-HNNXBMFYSA-N -1 0 340.404 3.757 20 0 EHADRM C[C@@H]1CCCC[C@H]1OCC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000747149088 1134996692 /nfs/dbraw/zinc/99/66/92/1134996692.db2.gz FTPDPYIMMCYVSA-IUODEOHRSA-N -1 0 345.361 3.849 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(OC(C)C)c2)cnc1Cl ZINC001192568392 1135030667 /nfs/dbraw/zinc/03/06/67/1135030667.db2.gz LUMQRLFSYLEERI-UHFFFAOYSA-N -1 0 340.832 3.631 20 0 EHADRM CCc1ccc(-c2nc(CC(=O)[N-]OC/C=C/Cl)cs2)cc1 ZINC000794290396 1135037281 /nfs/dbraw/zinc/03/72/81/1135037281.db2.gz LGNOIIWZYGTLQI-FPYGCLRLSA-N -1 0 336.844 3.715 20 0 EHADRM O=C(c1c([O-])ccc(F)c1F)N1CCC2(C=Cc3ccccc32)CC1 ZINC001192740814 1135049002 /nfs/dbraw/zinc/04/90/02/1135049002.db2.gz CVGVQWMZYCJXKG-UHFFFAOYSA-N -1 0 341.357 3.871 20 0 EHADRM COc1ccc(C2=CCN(C(=O)c3c(F)ccc(F)c3[O-])CC2)cc1 ZINC001192706798 1135050445 /nfs/dbraw/zinc/05/04/45/1135050445.db2.gz OAPJSPRGMZTBST-UHFFFAOYSA-N -1 0 345.345 3.609 20 0 EHADRM Cc1cn(-c2ccc(NC(=O)c3c(F)ccc(F)c3[O-])cc2F)cn1 ZINC001192716232 1135050860 /nfs/dbraw/zinc/05/08/60/1135050860.db2.gz JTAWFPYTSSSGSP-UHFFFAOYSA-N -1 0 347.296 3.556 20 0 EHADRM O=C(NCCc1ccccc1C(F)(F)F)c1c(F)ccc(F)c1[O-] ZINC001192720395 1135051349 /nfs/dbraw/zinc/05/13/49/1135051349.db2.gz RWDRMUBSPMZHPO-UHFFFAOYSA-N -1 0 345.267 3.662 20 0 EHADRM O=C(Nc1nc2ccccc2nc1Cl)c1ccc(F)c(F)c1[O-] ZINC001192785198 1135054585 /nfs/dbraw/zinc/05/45/85/1135054585.db2.gz WFJYTNKOVOAEGY-UHFFFAOYSA-N -1 0 335.697 3.519 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2nccc3ccccc32)c1 ZINC001192755944 1135054818 /nfs/dbraw/zinc/05/48/18/1135054818.db2.gz DYPPEYBNRSTLRW-UHFFFAOYSA-N -1 0 342.420 3.607 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2C(F)F)c1 ZINC001192805390 1135056797 /nfs/dbraw/zinc/05/67/97/1135056797.db2.gz HNOSMFHDONSYEM-UHFFFAOYSA-N -1 0 341.379 3.996 20 0 EHADRM COc1ccc(CC2(NC(=O)c3ccc(F)c(F)c3[O-])CCC2)cc1 ZINC001192817111 1135058776 /nfs/dbraw/zinc/05/87/76/1135058776.db2.gz CWWVIKUBKMEONA-UHFFFAOYSA-N -1 0 347.361 3.574 20 0 EHADRM O=S(=O)([N-]c1ncccc1-c1ccccc1)c1cnccc1Cl ZINC001192855961 1135067123 /nfs/dbraw/zinc/06/71/23/1135067123.db2.gz OIIPVCKUAYZXOQ-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM Cc1[nH]c2ccc(CNC(=O)c3cc(F)c([O-])cc3F)cc2c1C ZINC001192879582 1135074422 /nfs/dbraw/zinc/07/44/22/1135074422.db2.gz KFNIIXBQMBLWFX-UHFFFAOYSA-N -1 0 330.334 3.699 20 0 EHADRM CCc1ccc(NC(=O)CSc2n[n-]c(=S)s2)cc1Cl ZINC000804647784 1135152874 /nfs/dbraw/zinc/15/28/74/1135152874.db2.gz CELNSQLXQVSGMA-UHFFFAOYSA-N -1 0 345.902 3.773 20 0 EHADRM CSc1cc(C)nc(SC)c1[N-]C(=O)c1cnc(F)cc1C ZINC001193623820 1135160457 /nfs/dbraw/zinc/16/04/57/1135160457.db2.gz RTUBEMJFAHWYDR-UHFFFAOYSA-N -1 0 337.445 3.929 20 0 EHADRM CCc1nccnc1[N-]S(=O)(=O)c1ccc2c(Cl)cccc2c1 ZINC001194218235 1135245757 /nfs/dbraw/zinc/24/57/57/1135245757.db2.gz ZHBUZAUVVCOKCA-UHFFFAOYSA-N -1 0 347.827 3.646 20 0 EHADRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1ncccc1C(C)C ZINC001194268048 1135252850 /nfs/dbraw/zinc/25/28/50/1135252850.db2.gz ODCWGIVPNBTJAS-UHFFFAOYSA-N -1 0 336.395 3.657 20 0 EHADRM CN(C)c1ccc([C@@H]2C[C@H]2C(=O)Nc2cc(Cl)c([O-])cc2F)cc1 ZINC000805255455 1135253851 /nfs/dbraw/zinc/25/38/51/1135253851.db2.gz RCFCDLDJZPFWSZ-QWHCGFSZSA-N -1 0 348.805 3.993 20 0 EHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1cnnc2ccc(Cl)cc12 ZINC001194609701 1135286411 /nfs/dbraw/zinc/28/64/11/1135286411.db2.gz GKRMGKQBICHVOQ-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM COc1ncccc1S(=O)(=O)[N-]c1cc(-c2ccccc2)cs1 ZINC001194680032 1135305173 /nfs/dbraw/zinc/30/51/73/1135305173.db2.gz ZGCRRACFYLTFQG-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM Cn1ncc(C(=O)Nc2ccc3[n-]c(=S)sc3c2)c1C(F)F ZINC001195271774 1135402442 /nfs/dbraw/zinc/40/24/42/1135402442.db2.gz SABFUYWXKJRCOP-UHFFFAOYSA-N -1 0 340.380 3.508 20 0 EHADRM O=C(Nc1ccc(C(F)F)cn1)c1c([O-])c(F)c(F)c(F)c1F ZINC001195290868 1135408030 /nfs/dbraw/zinc/40/80/30/1135408030.db2.gz MRWULEVUMDZTQW-UHFFFAOYSA-N -1 0 336.191 3.534 20 0 EHADRM O=C(Nc1cc(O)cc(Cl)c1)c1c([O-])c(F)c(F)c(F)c1F ZINC001195302865 1135410227 /nfs/dbraw/zinc/41/02/27/1135410227.db2.gz NBERIDNONPDYGR-UHFFFAOYSA-N -1 0 335.640 3.560 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cccc(Cl)c1CO ZINC001195317225 1135413218 /nfs/dbraw/zinc/41/32/18/1135413218.db2.gz QRPBHJINDWPCAG-UHFFFAOYSA-N -1 0 346.235 3.595 20 0 EHADRM COc1cc(NS(=O)(=O)c2c(C)cccc2Cl)ccc1[S-] ZINC001195316750 1135413439 /nfs/dbraw/zinc/41/34/39/1135413439.db2.gz GXJJHERFYNKBDR-UHFFFAOYSA-N -1 0 343.857 3.747 20 0 EHADRM CCOC(=O)NC(=S)Nc1cccc(F)c1OCC(C)(C)C ZINC001195492684 1135433204 /nfs/dbraw/zinc/43/32/04/1135433204.db2.gz OUYFCLDZOSFNRP-UHFFFAOYSA-N -1 0 328.409 3.694 20 0 EHADRM CC(C)n1ncc2c1nc(/C=C\c1cccnc1Cl)cc2C(=O)[O-] ZINC000806559822 1135459654 /nfs/dbraw/zinc/45/96/54/1135459654.db2.gz GDTWAASWVNQZPR-WAYWQWQTSA-N -1 0 342.786 3.929 20 0 EHADRM COc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)c1ccc(O)cc1 ZINC001195806787 1135473345 /nfs/dbraw/zinc/47/33/45/1135473345.db2.gz OFVVMLIEJTZGNP-UHFFFAOYSA-N -1 0 348.207 3.508 20 0 EHADRM COc1ccccc1C[C@H]1CCCN1C(=O)c1cccc(Cl)c1[O-] ZINC000775679436 1135503818 /nfs/dbraw/zinc/50/38/18/1135503818.db2.gz BPMBFBLACQGPKF-CQSZACIVSA-N -1 0 345.826 3.902 20 0 EHADRM O=S(=O)([N-]c1ccccc1-c1ccco1)c1ccc(Cl)cn1 ZINC001196250703 1135535402 /nfs/dbraw/zinc/53/54/02/1135535402.db2.gz OMEKMJMYVYRGLN-UHFFFAOYSA-N -1 0 334.784 3.796 20 0 EHADRM O=C(N[C@@H](c1ccccc1)c1cccnc1)c1cccc(Cl)c1[O-] ZINC000775711480 1135548776 /nfs/dbraw/zinc/54/87/76/1135548776.db2.gz BBTLCXMDXWNLAV-KRWDZBQOSA-N -1 0 338.794 3.960 20 0 EHADRM CCn1cc([N-]S(=O)(=O)c2ccc3cc(Cl)ccc3c2)c(C)n1 ZINC001196414305 1135561110 /nfs/dbraw/zinc/56/11/10/1135561110.db2.gz LUXMWKOSVVYSHW-UHFFFAOYSA-N -1 0 349.843 3.819 20 0 EHADRM COc1ccc(F)c(S(=O)(=O)[N-]c2ccc3sccc3c2)c1 ZINC001196764338 1135603867 /nfs/dbraw/zinc/60/38/67/1135603867.db2.gz NKHSIGNABGUIDT-UHFFFAOYSA-N -1 0 337.397 3.850 20 0 EHADRM COc1ccc(F)c(S(=O)(=O)[N-]c2c(C)cccc2C2CC2)c1 ZINC001196779240 1135614936 /nfs/dbraw/zinc/61/49/36/1135614936.db2.gz PDKPVVKMCAHWNT-UHFFFAOYSA-N -1 0 335.400 3.821 20 0 EHADRM O=S(=O)([N-]c1ccnn1C1CCCC1)c1ccc(C(F)F)cc1 ZINC000808087762 1135615924 /nfs/dbraw/zinc/61/59/24/1135615924.db2.gz VAQAPOZAGSKLBU-UHFFFAOYSA-N -1 0 341.383 3.737 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N[C@@H]2C[C@@H]2c2cccc(Cl)c2)cc1 ZINC001197132638 1135647881 /nfs/dbraw/zinc/64/78/81/1135647881.db2.gz YXFFGZPIQMOQQO-HUUCEWRRSA-N -1 0 346.839 3.881 20 0 EHADRM COc1cc(Cl)ccc1NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197112691 1135650859 /nfs/dbraw/zinc/65/08/59/1135650859.db2.gz HBPJCKOTQICIGR-UHFFFAOYSA-N -1 0 336.800 3.856 20 0 EHADRM COc1cccc(NC(=S)Nc2ccc(C(=O)[O-])cc2)c1Cl ZINC001197113103 1135650898 /nfs/dbraw/zinc/65/08/98/1135650898.db2.gz NNTKMEYCJAPVKG-UHFFFAOYSA-N -1 0 336.800 3.856 20 0 EHADRM Cc1cccc2c1[C@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)CCO2 ZINC001197120168 1135651987 /nfs/dbraw/zinc/65/19/87/1135651987.db2.gz AVPOHOJJKPNVHF-CQSZACIVSA-N -1 0 342.420 3.503 20 0 EHADRM C[C@@H]1Cc2cccc(F)c2N(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC001197125411 1135652654 /nfs/dbraw/zinc/65/26/54/1135652654.db2.gz SUYNTWSFYQTDOH-SNVBAGLBSA-N -1 0 329.400 3.735 20 0 EHADRM [O-]c1c(Cl)nccc1NC(=S)NCc1ccc(Cl)cc1 ZINC001197556473 1135705605 /nfs/dbraw/zinc/70/56/05/1135705605.db2.gz GNJLGCRWKXCITI-UHFFFAOYSA-N -1 0 328.224 3.581 20 0 EHADRM COc1c(Cl)cccc1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC001197556569 1135705935 /nfs/dbraw/zinc/70/59/35/1135705935.db2.gz OPGNJILNNIQVOG-UHFFFAOYSA-N -1 0 347.770 3.569 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2ccc(Cc3ccccc3)cc2)c1 ZINC001197998489 1135760057 /nfs/dbraw/zinc/76/00/57/1135760057.db2.gz DYSDLDHUWDFPJG-UHFFFAOYSA-N -1 0 338.432 3.782 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-]C(=O)CC[C@@H](C)c2ccccc2)cc1 ZINC000809063424 1135770247 /nfs/dbraw/zinc/77/02/47/1135770247.db2.gz OXAWGIFWLZXYIG-MRXNPFEDSA-N -1 0 345.464 3.525 20 0 EHADRM CC[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(C)cc1)c1ccccc1 ZINC000809063262 1135770482 /nfs/dbraw/zinc/77/04/82/1135770482.db2.gz KTKKIDKJPYJWRQ-QGZVFWFLSA-N -1 0 345.464 3.525 20 0 EHADRM Cc1c(F)ccc([N-]S(=O)(=O)c2cccc(Cl)n2)c1Cl ZINC001198233523 1135789596 /nfs/dbraw/zinc/78/95/96/1135789596.db2.gz NBAOTOZQTWYDQS-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CC(C)(C)c1ccc(O)c([N-]S(=O)(=O)c2cccc(Cl)n2)c1 ZINC001198233172 1135789721 /nfs/dbraw/zinc/78/97/21/1135789721.db2.gz JPUYEWMYETXLMI-UHFFFAOYSA-N -1 0 340.832 3.539 20 0 EHADRM COCCOCc1ccc(/C=C\c2ncc(/C=C\C(=O)[O-])s2)cc1 ZINC000809153681 1135791288 /nfs/dbraw/zinc/79/12/88/1135791288.db2.gz BSETYIITYQLQHH-VRHVFUOLSA-N -1 0 345.420 3.574 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(C)nc2)snc1-c1ccccc1 ZINC001198278071 1135793830 /nfs/dbraw/zinc/79/38/30/1135793830.db2.gz UPDIAZWZHBPSFM-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM Cc1cc(Nc2cc(F)c(C(=O)[O-])c(F)c2)n(-c2ccccc2)n1 ZINC001203316616 1135834417 /nfs/dbraw/zinc/83/44/17/1135834417.db2.gz REQNBTRCYOANAA-UHFFFAOYSA-N -1 0 329.306 3.901 20 0 EHADRM CC(C)c1ccc([C@@H](C)NS(=O)(=O)c2ccccc2C(=O)[O-])cc1 ZINC001198808701 1135858807 /nfs/dbraw/zinc/85/88/07/1135858807.db2.gz WFQJUVGFBQITFA-CYBMUJFWSA-N -1 0 347.436 3.548 20 0 EHADRM O=S(=O)([N-]c1ccccc1-c1cnco1)c1ccc2occc2c1 ZINC001198858776 1135861907 /nfs/dbraw/zinc/86/19/07/1135861907.db2.gz JIEPAHZAYDBHSX-UHFFFAOYSA-N -1 0 340.360 3.889 20 0 EHADRM CC(=O)c1ccc(C)cc1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198868808 1135864649 /nfs/dbraw/zinc/86/46/49/1135864649.db2.gz NOEOCRGECSRYTB-UHFFFAOYSA-N -1 0 329.377 3.745 20 0 EHADRM COC(=O)c1ccccc1NC(=S)Nc1cccc(Cl)c1[O-] ZINC001198979901 1135871227 /nfs/dbraw/zinc/87/12/27/1135871227.db2.gz OLDACOHZAGXVEY-UHFFFAOYSA-N -1 0 336.800 3.641 20 0 EHADRM O=C(Nc1c(Cl)ccc([O-])c1Cl)c1cncn1-c1cccnc1 ZINC001199433381 1135903310 /nfs/dbraw/zinc/90/33/10/1135903310.db2.gz TXAXJZAAJNKQKY-UHFFFAOYSA-N -1 0 349.177 3.532 20 0 EHADRM Cc1ccnc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)c1 ZINC001201244970 1135998870 /nfs/dbraw/zinc/99/88/70/1135998870.db2.gz XNPHIJFNLCUGDT-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM O=S(=O)([N-][C@@H]1CCCC1(F)F)c1cc(Cl)c(Cl)cc1F ZINC001201281010 1136000668 /nfs/dbraw/zinc/00/06/68/1136000668.db2.gz VUBVWVIZDUERIY-SNVBAGLBSA-N -1 0 348.173 3.599 20 0 EHADRM O=C(Nc1nc(Cl)ccc1[O-])c1ccc2c(c1)CCCCC2=O ZINC000811395752 1136081917 /nfs/dbraw/zinc/08/19/17/1136081917.db2.gz ISZXJDZJYFGSNI-UHFFFAOYSA-N -1 0 330.771 3.602 20 0 EHADRM CC(C)CC1(C)CCN(C(=O)c2n[n-]c3ccccc3c2=O)CC1 ZINC000811532168 1136099742 /nfs/dbraw/zinc/09/97/42/1136099742.db2.gz NOPHEAKPPDFHKK-UHFFFAOYSA-N -1 0 327.428 3.624 20 0 EHADRM CC1(C)CCN(C(=O)c2n[n-]c3ccccc3c2=O)c2ccccc21 ZINC000811550512 1136106441 /nfs/dbraw/zinc/10/64/41/1136106441.db2.gz PQKVGWHABUUDMY-UHFFFAOYSA-N -1 0 333.391 3.664 20 0 EHADRM Cc1c(Cl)nccc1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000811836079 1136143238 /nfs/dbraw/zinc/14/32/38/1136143238.db2.gz CMFCQCOQLROXJE-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2cc(C3CC3)ccn2)c1 ZINC000811837751 1136143520 /nfs/dbraw/zinc/14/35/20/1136143520.db2.gz CEFGVQJPLSECKG-UHFFFAOYSA-N -1 0 339.420 3.616 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N(Cc2ccccc2)C2CC2)c1 ZINC000811814290 1136144687 /nfs/dbraw/zinc/14/46/87/1136144687.db2.gz HYLOFBFDPPONOE-UHFFFAOYSA-N -1 0 329.783 3.843 20 0 EHADRM C[C@H](c1ccco1)N(C(=O)c1cc(C(=O)[O-])ccc1Cl)C1CC1 ZINC000811817195 1136144883 /nfs/dbraw/zinc/14/48/83/1136144883.db2.gz JEAJSAMFXDQFTQ-SNVBAGLBSA-N -1 0 333.771 3.997 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N2CC[C@@H](c3ccccc3)C2)c1 ZINC000811816416 1136145184 /nfs/dbraw/zinc/14/51/84/1136145184.db2.gz WXSAUQZFLGEDQK-CQSZACIVSA-N -1 0 329.783 3.668 20 0 EHADRM CC[C@H](C(=O)[N-]OCCOC(C)C)c1cccc(C(F)(F)F)c1 ZINC000812801920 1136253914 /nfs/dbraw/zinc/25/39/14/1136253914.db2.gz RQPWZHFSVOTOML-AWEZNQCLSA-N -1 0 333.350 3.672 20 0 EHADRM CC1=CC[C@@](C)(C(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)CC1 ZINC000850797804 1136307763 /nfs/dbraw/zinc/30/77/63/1136307763.db2.gz SXMVDMFQYRYIPV-LJQANCHMSA-N -1 0 345.464 3.556 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)C2CC3(C2)CCCCC3)c(C)s1 ZINC000850798445 1136307900 /nfs/dbraw/zinc/30/79/00/1136307900.db2.gz RVAWBQMBRVWULL-UHFFFAOYSA-N -1 0 341.498 3.530 20 0 EHADRM CC(C)c1cccc(-c2ccc(C(=O)[N-]S(=O)(=O)C(C)C)o2)c1 ZINC000776513177 1136334583 /nfs/dbraw/zinc/33/45/83/1136334583.db2.gz PNCDZQCTEPUYLO-UHFFFAOYSA-N -1 0 335.425 3.538 20 0 EHADRM CC(C)c1cc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)no1 ZINC000747858875 1136349040 /nfs/dbraw/zinc/34/90/40/1136349040.db2.gz WQDZVWONKNMGSB-BQYQJAHWSA-N -1 0 326.805 3.864 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H](C)c1cccc(F)c1 ZINC000814015794 1136386588 /nfs/dbraw/zinc/38/65/88/1136386588.db2.gz ZWJDBCLIAXYENZ-CXAGYDPISA-N -1 0 349.427 3.527 20 0 EHADRM CN(C(=O)c1ccc(/C=C\C(=O)[O-])o1)c1ccc(C(C)(C)C)cc1 ZINC000851594281 1136394822 /nfs/dbraw/zinc/39/48/22/1136394822.db2.gz HKYXUAXHBSIFMF-BENRWUELSA-N -1 0 327.380 3.952 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N2CCC[C@@H](c3ccccc3)CC2)o1 ZINC000851597354 1136395494 /nfs/dbraw/zinc/39/54/94/1136395494.db2.gz XFIGTEZBHDQXNR-PXUDHTSWSA-N -1 0 339.391 3.787 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1ccc(CF)cc1 ZINC000851600023 1136395612 /nfs/dbraw/zinc/39/56/12/1136395612.db2.gz FIHSPWSWPRTKHN-UHFFFAOYSA-N -1 0 329.371 3.663 20 0 EHADRM CCCC[C@](C)(F)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000851600189 1136395813 /nfs/dbraw/zinc/39/58/13/1136395813.db2.gz DGEAMRIJUBMTHU-HNNXBMFYSA-N -1 0 331.771 3.660 20 0 EHADRM C[C@]1(Cc2ccccc2)CCCN1C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851607439 1136395982 /nfs/dbraw/zinc/39/59/82/1136395982.db2.gz MWEUVFMERNSXJW-WAEYIKQSSA-N -1 0 339.391 3.615 20 0 EHADRM CC(C)c1ccccc1C(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1 ZINC000851606161 1136396245 /nfs/dbraw/zinc/39/62/45/1136396245.db2.gz KOWQCBRPKOQBDM-OALUTQOASA-N -1 0 337.419 3.750 20 0 EHADRM O=C([O-])C[C@H](CNC(=O)CCc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000851620614 1136396878 /nfs/dbraw/zinc/39/68/78/1136396878.db2.gz PMXWWGLQQBHGLP-GFCCVEGCSA-N -1 0 344.238 3.543 20 0 EHADRM CCCC[C@@H](CC)CC(=O)Nc1nc(Cl)c(C(=O)OCC)[n-]1 ZINC001134100802 1136406645 /nfs/dbraw/zinc/40/66/45/1136406645.db2.gz JMPFYGGGBOPHRJ-SNVBAGLBSA-N -1 0 329.828 3.785 20 0 EHADRM CCOC(=O)c1[n-]c(NC(=O)[C@@H](c2ccccc2)C(C)C)nc1Cl ZINC001134101532 1136406828 /nfs/dbraw/zinc/40/68/28/1136406828.db2.gz SIDPKWRGABLUJM-GFCCVEGCSA-N -1 0 349.818 3.618 20 0 EHADRM CCC[C@@](C)(NC(=O)/C=C\c1ccc2cc(OC)ccc2c1)C(=O)[O-] ZINC000776611145 1136470975 /nfs/dbraw/zinc/47/09/75/1136470975.db2.gz QORDLLILFSOWJT-ATYVUACHSA-N -1 0 341.407 3.621 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc(-c3cnco3)c2)CCCCCC1 ZINC000852942399 1136493812 /nfs/dbraw/zinc/49/38/12/1136493812.db2.gz IOLIQDFURQMAON-UHFFFAOYSA-N -1 0 328.368 3.705 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc(C3SCCS3)c2)CC=CC1 ZINC000852947000 1136493823 /nfs/dbraw/zinc/49/38/23/1136493823.db2.gz CWEBQVRICXOVQO-UHFFFAOYSA-N -1 0 335.450 3.525 20 0 EHADRM C[C@H](CC1CCCC1)C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000776660367 1136528672 /nfs/dbraw/zinc/52/86/72/1136528672.db2.gz WCBHPNMVEUUQBR-BZNIZROVSA-N -1 0 339.382 3.813 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N[C@H](CC(=O)[O-])c1ccccc1C ZINC000776675346 1136528891 /nfs/dbraw/zinc/52/88/91/1136528891.db2.gz DALCBJUYRABSLN-GPZRYRNASA-N -1 0 341.382 3.870 20 0 EHADRM Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2F)c(C)c1 ZINC000776659848 1136529336 /nfs/dbraw/zinc/52/93/36/1136529336.db2.gz RWXMFQBFEIMIHP-MRXNPFEDSA-N -1 0 333.334 3.527 20 0 EHADRM C[C@@H](CC(=O)N[C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-])C1CC1 ZINC000776683083 1136545285 /nfs/dbraw/zinc/54/52/85/1136545285.db2.gz IZYAHSBEASJBMW-LKFCYVNXSA-N -1 0 344.238 3.542 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)NCCC(C)(C)CC)n1 ZINC001170800111 1136633775 /nfs/dbraw/zinc/63/37/75/1136633775.db2.gz YKMQQRHFDJPZJW-UHFFFAOYSA-N -1 0 329.444 3.696 20 0 EHADRM CCCc1cccc(C(C)C)c1NC(=O)C(=O)[N-]OCCC1CC1 ZINC000815792856 1136640339 /nfs/dbraw/zinc/64/03/39/1136640339.db2.gz WMDMMIABQZKLTM-UHFFFAOYSA-N -1 0 332.444 3.549 20 0 EHADRM O=C([N-]S(=O)(=O)c1csc2ccccc21)C(F)=C1CCCC1 ZINC000816082823 1136670891 /nfs/dbraw/zinc/67/08/91/1136670891.db2.gz QSABEPQAWILGJH-UHFFFAOYSA-N -1 0 339.413 3.504 20 0 EHADRM CC(C)c1ccoc1C(=O)[N-]S(=O)(=O)[C@H](c1ccccc1)C(C)C ZINC000816110167 1136677540 /nfs/dbraw/zinc/67/75/40/1136677540.db2.gz UPOSNKKYIZATCG-KRWDZBQOSA-N -1 0 349.452 3.860 20 0 EHADRM CCCC[C@H](C)C(=O)[N-]S(=O)(=O)[C@@H](c1ccccc1)C(C)C ZINC000816110990 1136677593 /nfs/dbraw/zinc/67/75/93/1136677593.db2.gz MXBSBWVHVWGZFX-GOEBONIOSA-N -1 0 325.474 3.656 20 0 EHADRM O=C(NC1CCC2(CC2(F)F)CC1)c1ccc2oc(=S)[n-]c2c1 ZINC000855961926 1136745352 /nfs/dbraw/zinc/74/53/52/1136745352.db2.gz NLBCAVNWTGEJSO-UHFFFAOYSA-N -1 0 338.379 3.814 20 0 EHADRM CC[C@H](C)CO[N-]C(=O)CN(C(=O)OC(C)(C)C)c1ccccc1 ZINC000816978848 1136769334 /nfs/dbraw/zinc/76/93/34/1136769334.db2.gz CJHSEUXEOHXFNX-AWEZNQCLSA-N -1 0 336.432 3.522 20 0 EHADRM O=C(NC[C@H](O)c1ccc(Cl)cc1)c1ccc2ccccc2c1O ZINC000817091379 1136778806 /nfs/dbraw/zinc/77/88/06/1136778806.db2.gz JJESCDTUTKWJJM-KRWDZBQOSA-N -1 0 341.794 3.662 20 0 EHADRM O=C(Cc1csc(-c2ccc(Cl)s2)n1)[N-]OCC1CCC1 ZINC000856346690 1136779236 /nfs/dbraw/zinc/77/92/36/1136779236.db2.gz KCBPYRIBFSUNGP-UHFFFAOYSA-N -1 0 342.873 3.915 20 0 EHADRM Cc1cccc(NC(=O)c2nn(-c3ccc(F)cc3C)cc2[O-])c1C ZINC001135881132 1136797414 /nfs/dbraw/zinc/79/74/14/1136797414.db2.gz UTHIPFAVIONFLB-UHFFFAOYSA-N -1 0 339.370 3.895 20 0 EHADRM O=C(Cc1csc(-c2ccc(Cl)s2)n1)[N-]OCCC1CC1 ZINC000817416365 1136806436 /nfs/dbraw/zinc/80/64/36/1136806436.db2.gz CHWWBBUXQARBAL-UHFFFAOYSA-N -1 0 342.873 3.915 20 0 EHADRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)c1ccc(CF)cc1 ZINC000856973217 1136829014 /nfs/dbraw/zinc/82/90/14/1136829014.db2.gz BZMLMCADWNRWKW-DLBZAZTESA-N -1 0 333.403 3.652 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1ccc(CF)cc1 ZINC000856973221 1136829227 /nfs/dbraw/zinc/82/92/27/1136829227.db2.gz BZMLMCADWNRWKW-IAGOWNOFSA-N -1 0 333.403 3.652 20 0 EHADRM C/C(=C/C(=O)N1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1)c1cccs1 ZINC000856979785 1136829791 /nfs/dbraw/zinc/82/97/91/1136829791.db2.gz DTQCKCQZGLXFLM-UPJGQAATSA-N -1 0 341.432 3.968 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)CC(C)(C)C(F)(F)F)C(=O)[O-] ZINC000828145300 1136864834 /nfs/dbraw/zinc/86/48/34/1136864834.db2.gz BEGSTCOAGHHKST-CQSZACIVSA-N -1 0 325.371 3.895 20 0 EHADRM O=C(COc1ccc(Cl)c(Cl)c1)[N-]OCc1ccc(F)cc1 ZINC000857485889 1136876388 /nfs/dbraw/zinc/87/63/88/1136876388.db2.gz YJQVVAKBCDCTML-UHFFFAOYSA-N -1 0 344.169 3.759 20 0 EHADRM CCN(Cc1ccc(Cl)cc1)C(=O)c1s[n-]c(=O)c1Cl ZINC001136184709 1136910270 /nfs/dbraw/zinc/91/02/70/1136910270.db2.gz AQVSCOIUIRFDNY-UHFFFAOYSA-N -1 0 331.224 3.818 20 0 EHADRM O=C(N[C@H]1CCSc2c(F)cccc21)c1cc(F)cc(F)c1[O-] ZINC001136193700 1136914681 /nfs/dbraw/zinc/91/46/81/1136914681.db2.gz DEHNPGWOAUDQOO-ZDUSSCGKSA-N -1 0 339.338 3.776 20 0 EHADRM O=c1nc(Cl)cc(Sc2nnc(NC3CCCCC3)s2)[nH]1 ZINC000858336741 1136959604 /nfs/dbraw/zinc/95/96/04/1136959604.db2.gz RROHLIWUSLNQIJ-UHFFFAOYSA-N -1 0 343.865 3.583 20 0 EHADRM O=C(Cc1c[nH]c2cccc(Br)c12)[N-]Oc1ccccc1 ZINC000820049049 1136974889 /nfs/dbraw/zinc/97/48/89/1136974889.db2.gz PISUNOGVOITROO-UHFFFAOYSA-N -1 0 345.196 3.583 20 0 EHADRM CSCC[C@@H](C)N(C)C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000820123725 1136978278 /nfs/dbraw/zinc/97/82/78/1136978278.db2.gz WSJPYLCLJANJHC-GFCCVEGCSA-N -1 0 347.436 3.678 20 0 EHADRM CC(=O)N(c1ccc(NC(=O)c2cccc(F)c2[O-])cc1)[C@@H]1C[C@H]1C ZINC000820747120 1137004954 /nfs/dbraw/zinc/00/49/54/1137004954.db2.gz MZKUZPFIQCCVQB-PIGZYNQJSA-N -1 0 342.370 3.545 20 0 EHADRM O=S(=O)([N-]c1cccc(C(F)(F)F)n1)c1ccc(Cl)s1 ZINC000116600965 1137007890 /nfs/dbraw/zinc/00/78/90/1137007890.db2.gz PBWWPUKDILOTIP-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)N3CCC(C(F)F)CC3)c([O-])c2)o1 ZINC000821024670 1137014437 /nfs/dbraw/zinc/01/44/37/1137014437.db2.gz AGLCMOOWRQXHJB-UHFFFAOYSA-N -1 0 349.333 3.582 20 0 EHADRM O=C([O-])c1ccccc1-c1ccc(CN2CCOC3(CCCC3)C2)o1 ZINC000859788801 1137030479 /nfs/dbraw/zinc/03/04/79/1137030479.db2.gz YKKCFJAFAPPPLT-UHFFFAOYSA-N -1 0 341.407 3.790 20 0 EHADRM Cc1ccc(CN(C(=O)c2ccc3oc(=S)[n-]c3c2)C2CC2)o1 ZINC000822489111 1137059864 /nfs/dbraw/zinc/05/98/64/1137059864.db2.gz XHIWWDZDJLRMGA-UHFFFAOYSA-N -1 0 328.393 3.823 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)c1cc(=O)n(C)[n-]1)[C@H]1CCC[C@@H](C)C1 ZINC001136732387 1137103962 /nfs/dbraw/zinc/10/39/62/1137103962.db2.gz WPJHICJERORKBR-FRIZHTMISA-N -1 0 341.455 3.732 20 0 EHADRM O=C([N-]OCCC1CC1)c1ccc(-c2cccc(Cl)c2)[nH]c1=O ZINC000861823981 1137121837 /nfs/dbraw/zinc/12/18/37/1137121837.db2.gz OPNCMARLCJCXMW-UHFFFAOYSA-N -1 0 332.787 3.569 20 0 EHADRM CCOc1ccccc1CN(C)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000118776622 1137131361 /nfs/dbraw/zinc/13/13/61/1137131361.db2.gz FKGRUUJTVDDLLO-UHFFFAOYSA-N -1 0 342.420 3.787 20 0 EHADRM Cc1cccc(N(C)C(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])c1 ZINC001143664336 1137185791 /nfs/dbraw/zinc/18/57/91/1137185791.db2.gz YJZNGDQSGUXSHM-UHFFFAOYSA-N -1 0 341.798 3.816 20 0 EHADRM CCCOc1cncc([N-]S(=O)(=O)c2cccc(C(F)F)c2)c1 ZINC000863449071 1137186959 /nfs/dbraw/zinc/18/69/59/1137186959.db2.gz RMMZDZZBJQUNPY-UHFFFAOYSA-N -1 0 342.367 3.609 20 0 EHADRM CCCO[N-]C(=O)C(C)(C)c1csc(-c2ccc(F)cc2C)n1 ZINC000844087619 1137196894 /nfs/dbraw/zinc/19/68/94/1137196894.db2.gz CYUKEGZMUBBCAR-UHFFFAOYSA-N -1 0 336.432 3.993 20 0 EHADRM CC(C)(C)OC(=O)c1ccc(NC(=O)c2ccc([O-])c(Cl)c2)nc1 ZINC001143843689 1137203342 /nfs/dbraw/zinc/20/33/42/1137203342.db2.gz SEUWPGYBRUFUEN-UHFFFAOYSA-N -1 0 348.786 3.648 20 0 EHADRM Cc1ncc(C(=O)[O-])cc1C(=O)N(C)c1ccc(C(C)(C)C)cc1 ZINC000864107023 1137215169 /nfs/dbraw/zinc/21/51/69/1137215169.db2.gz ZGNQJDRLDWVMDB-UHFFFAOYSA-N -1 0 326.396 3.662 20 0 EHADRM O=C([O-])CCCCCNC(=O)/C=C/c1ccsc1C(F)(F)F ZINC000864119557 1137216052 /nfs/dbraw/zinc/21/60/52/1137216052.db2.gz HFCMIRMLJIMTHZ-AATRIKPKSA-N -1 0 335.347 3.541 20 0 EHADRM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000864123374 1137216314 /nfs/dbraw/zinc/21/63/14/1137216314.db2.gz NDFDYQUZMKQONK-IPOQPSJVSA-N -1 0 333.453 3.625 20 0 EHADRM C[C@@H](CN(C(=O)/C=C/c1ccc(F)c2ccccc12)C1CC1)C(=O)[O-] ZINC000864131239 1137216394 /nfs/dbraw/zinc/21/63/94/1137216394.db2.gz UPXHNQDGOUSINA-HJTPGIPUSA-N -1 0 341.382 3.704 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)/C=C\c1ccsc1C(F)(F)F ZINC000864133543 1137216706 /nfs/dbraw/zinc/21/67/06/1137216706.db2.gz RXHOVGXFVZYVLI-DOGVGXBMSA-N -1 0 347.358 3.636 20 0 EHADRM Cc1cc(C)cc([C@H]2CCN(C(=O)/C=C/c3ccc(C(=O)[O-])o3)C2)c1 ZINC000864137492 1137216938 /nfs/dbraw/zinc/21/69/38/1137216938.db2.gz ZIPYTFFPTKHAOZ-DRDHIDPGSA-N -1 0 339.391 3.624 20 0 EHADRM C[C@H]1CN(C(=O)c2cc3c(ccc4ccccc34)o2)CC[C@H]1C(=O)[O-] ZINC000864141124 1137216975 /nfs/dbraw/zinc/21/69/75/1137216975.db2.gz GWOJGSXQQBGFLE-GXTWGEPZSA-N -1 0 337.375 3.769 20 0 EHADRM CCC[C@H](CNC(=O)c1ccc(-c2ccccc2OC)s1)C(=O)[O-] ZINC000864149615 1137217219 /nfs/dbraw/zinc/21/72/19/1137217219.db2.gz UHBNZTUHSKRQHP-GFCCVEGCSA-N -1 0 347.436 3.654 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2ccc3c(c2)OC(C)(C)C3)c1 ZINC000864149608 1137217224 /nfs/dbraw/zinc/21/72/24/1137217224.db2.gz UCCIKFZIFZFHDF-LBPRGKRZSA-N -1 0 339.391 3.841 20 0 EHADRM Cc1ccc([C@@H]2CCN(C(=O)/C=C\c3cc(C(=O)[O-])co3)C2)c(C)c1 ZINC000864159427 1137217590 /nfs/dbraw/zinc/21/75/90/1137217590.db2.gz ZCIYFNPLEJUUGQ-ZDTYVGOBSA-N -1 0 339.391 3.624 20 0 EHADRM O=C(/C=C/c1ccc(C(=O)[O-])o1)Nc1cccc(C2CCOCC2)c1 ZINC000864172910 1137217613 /nfs/dbraw/zinc/21/76/13/1137217613.db2.gz DCQREZOZBMVXGV-FNORWQNLSA-N -1 0 341.363 3.524 20 0 EHADRM CC[C@H](CCc1ccccc1)NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000864169526 1137217657 /nfs/dbraw/zinc/21/76/57/1137217657.db2.gz QYEVLVYQMVJVQB-HFBDAHEESA-N -1 0 327.380 3.519 20 0 EHADRM CC(C)c1ccc(C[C@H]2CCN(C(=O)[C@@H]3CC[C@H](C(=O)[O-])C3)C2)cc1 ZINC000864180607 1137218183 /nfs/dbraw/zinc/21/81/83/1137218183.db2.gz WBAWJGJRRWESKS-QRQLOZEOSA-N -1 0 343.467 3.702 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)/C=C/c1csc(C(F)(F)F)c1)C1CC1 ZINC000864201365 1137218825 /nfs/dbraw/zinc/21/88/25/1137218825.db2.gz SXXPFNGGNCWWGE-IWZWCOEHSA-N -1 0 347.358 3.540 20 0 EHADRM Cc1ccccc1C1(C(=O)N[C@@H]2C[C@H]3C[C@@]3(C(=O)[O-])C2)CCCCC1 ZINC000864209397 1137218912 /nfs/dbraw/zinc/21/89/12/1137218912.db2.gz DYPGKLUHOOCYPS-GCKMJXCFSA-N -1 0 341.451 3.566 20 0 EHADRM C[C@@H](C(=O)N[C@](C)(CC(=O)[O-])C1CC1)c1c(Cl)cccc1Cl ZINC000864200209 1137218972 /nfs/dbraw/zinc/21/89/72/1137218972.db2.gz TUHPIYOHJCZNRC-JDNHERCYSA-N -1 0 344.238 3.857 20 0 EHADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)CC1CCC(c3ccccc3)CC1)C2 ZINC000864211054 1137219225 /nfs/dbraw/zinc/21/92/25/1137219225.db2.gz WYXNPWJETMOKBK-KFWZOMNWSA-N -1 0 341.451 3.720 20 0 EHADRM C[C@@H]1CCCc2ncc(C(=O)Nc3cc4ccccc4c(C(=O)[O-])c3)n21 ZINC000864225746 1137219427 /nfs/dbraw/zinc/21/94/27/1137219427.db2.gz ZNCXDOORHDLWGJ-GFCCVEGCSA-N -1 0 349.390 3.884 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)[C@H]2C[C@@]23CCc2ccccc23)c1 ZINC000864231567 1137219565 /nfs/dbraw/zinc/21/95/65/1137219565.db2.gz HWYTYKGKGNIVBV-XQBPLPMBSA-N -1 0 349.430 3.531 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C[C@H](O)c2ccc(Cl)cc2)c1 ZINC000794610760 1137220697 /nfs/dbraw/zinc/22/06/97/1137220697.db2.gz SZBUCDBXSJUDIW-KRWDZBQOSA-N -1 0 347.798 3.701 20 0 EHADRM CC(C)C[C@H](C(=O)[O-])N(C)C(=O)Nc1ccc(F)c(C(F)F)c1 ZINC000864584216 1137235686 /nfs/dbraw/zinc/23/56/86/1137235686.db2.gz DBBXLTMIMUYLHA-GFCCVEGCSA-N -1 0 332.322 3.726 20 0 EHADRM Cc1cc(OC(C)C)ccc1NC(=O)NCc1ccccc1C(=O)[O-] ZINC000864590212 1137235988 /nfs/dbraw/zinc/23/59/88/1137235988.db2.gz ADKGJTOOJIBNFD-UHFFFAOYSA-N -1 0 342.395 3.802 20 0 EHADRM COc1nc(C(F)(F)F)ccc1-c1ccc2c(c1)[C@@H]1[C@H](C2)[C@@H]1C(=O)[O-] ZINC000864609661 1137236426 /nfs/dbraw/zinc/23/64/26/1137236426.db2.gz BLPJIZFOYOHYPU-CFVMTHIKSA-N -1 0 349.308 3.746 20 0 EHADRM COC(=O)c1cc(NC(=O)c2ccc([O-])c(Cl)c2)ccc1Cl ZINC001144147309 1137244801 /nfs/dbraw/zinc/24/48/01/1137244801.db2.gz XZISSGMEHCMHEA-UHFFFAOYSA-N -1 0 340.162 3.738 20 0 EHADRM O=C([O-])c1c2c(nc3ccccc31)/C(=C/c1cn(C3CC3)cn1)CC2 ZINC000865214293 1137268438 /nfs/dbraw/zinc/26/84/38/1137268438.db2.gz QNKJOPCUYHZNOL-FMIVXFBMSA-N -1 0 331.375 3.951 20 0 EHADRM CC[C@@H](C)CO[N-]C(=O)CSc1cccc(Br)c1 ZINC000794849460 1137292698 /nfs/dbraw/zinc/29/26/98/1137292698.db2.gz GVVALYURFMOBCE-SNVBAGLBSA-N -1 0 332.263 3.635 20 0 EHADRM CN(Cc1sccc1C(=O)[O-])Cc1ccccc1Br ZINC001144664370 1137324618 /nfs/dbraw/zinc/32/46/18/1137324618.db2.gz FXXQUPPCFCVLRI-UHFFFAOYSA-N -1 0 340.242 3.841 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N[C@H](CC(C)(C)C)C(=O)[O-] ZINC000846121976 1137334548 /nfs/dbraw/zinc/33/45/48/1137334548.db2.gz FAAYVCNGNOHWLR-CYBMUJFWSA-N -1 0 349.452 3.915 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000846137423 1137338191 /nfs/dbraw/zinc/33/81/91/1137338191.db2.gz MRXHUSHNGYROGB-UONOGXRCSA-N -1 0 347.798 3.577 20 0 EHADRM O=C(CCOc1ccccc1F)Nc1ccc2[n-]c(=S)oc2c1 ZINC000121107106 1137360970 /nfs/dbraw/zinc/36/09/70/1137360970.db2.gz LOZGIHJHIRBJFC-UHFFFAOYSA-N -1 0 332.356 3.663 20 0 EHADRM CCOC(=O)/C(=C\c1cccc(C(=O)[O-])c1Cl)c1ncccc1C ZINC000794948883 1137377563 /nfs/dbraw/zinc/37/75/63/1137377563.db2.gz JPEQTMVINBIORU-UVTDQMKNSA-N -1 0 345.782 3.845 20 0 EHADRM CO[C@@H](C(=O)[N-]Oc1ccc(F)cc1)c1ccccc1C(F)(F)F ZINC001146551820 1137391791 /nfs/dbraw/zinc/39/17/91/1137391791.db2.gz QCCLIRIYNWCGIB-CQSZACIVSA-N -1 0 343.276 3.642 20 0 EHADRM CCO[C@@H]1C[C@H](N(C)C(=O)c2cc(Cl)cc(Cl)c2[O-])C1(C)C ZINC001147632514 1137410386 /nfs/dbraw/zinc/41/03/86/1137410386.db2.gz HVOVNMCBJJFLMG-QWHCGFSZSA-N -1 0 346.254 3.975 20 0 EHADRM COc1cccc2c1C[C@H](Nc1ccc3oc(=S)[n-]c3c1)CO2 ZINC001171314236 1137412570 /nfs/dbraw/zinc/41/25/70/1137412570.db2.gz RGVGZEXGMAUPPW-NSHDSACASA-N -1 0 328.393 3.541 20 0 EHADRM O=C([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C1=CCCCCC1 ZINC000122252288 1137419552 /nfs/dbraw/zinc/41/95/52/1137419552.db2.gz LFFGOAJKAHMZCW-UHFFFAOYSA-N -1 0 348.251 3.689 20 0 EHADRM CC(C)(C)c1nnc(NC(=O)c2cc(Cl)cc(Cl)c2[O-])o1 ZINC001148806132 1137435342 /nfs/dbraw/zinc/43/53/42/1137435342.db2.gz LRVIYCNZGLXKHP-UHFFFAOYSA-N -1 0 330.171 3.632 20 0 EHADRM CCc1oc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1C(=O)[O-] ZINC000339089375 1137440409 /nfs/dbraw/zinc/44/04/09/1137440409.db2.gz TVOXIDDNTRRZFN-UHFFFAOYSA-N -1 0 342.376 3.916 20 0 EHADRM O=C([O-])c1cc(Br)cc(NCc2cccc3ncoc32)c1 ZINC001171457896 1137490394 /nfs/dbraw/zinc/49/03/94/1137490394.db2.gz XWSXTUWGUPERPB-UHFFFAOYSA-N -1 0 347.168 3.901 20 0 EHADRM Cc1ccc(NC(=O)N2CC3CC2(C(=O)[O-])C3)cc1-c1ccsc1 ZINC000871615662 1137549295 /nfs/dbraw/zinc/54/92/95/1137549295.db2.gz RZGBFFFMQIGWJX-UHFFFAOYSA-N -1 0 342.420 3.804 20 0 EHADRM Cc1sc(CN[C@H](C(=O)[O-])c2ccsc2)cc1Br ZINC000871878467 1137561983 /nfs/dbraw/zinc/56/19/83/1137561983.db2.gz LYJLDNCPFYYISU-NSHDSACASA-N -1 0 346.271 3.796 20 0 EHADRM CSc1nc(Cl)cc(-n2[n-]c3c(c2=O)C[C@H](C(C)C)CC3)n1 ZINC000871957579 1137563772 /nfs/dbraw/zinc/56/37/72/1137563772.db2.gz XFMYFRUMOCRPPC-ZJUUUORDSA-N -1 0 338.864 3.627 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2c(F)cc(C)cc2F)noc1C(C)(C)C ZINC000872009419 1137564388 /nfs/dbraw/zinc/56/43/88/1137564388.db2.gz YMTCVMDEZYVWHP-UHFFFAOYSA-N -1 0 344.383 3.668 20 0 EHADRM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000872166611 1137574896 /nfs/dbraw/zinc/57/48/96/1137574896.db2.gz ZOAURYFLPWBCCZ-DLBZAZTESA-N -1 0 349.789 3.758 20 0 EHADRM CCC(F)(F)c1ccccc1[N-]S(=O)(=O)C[C@H](OC)C(C)C ZINC000872410162 1137579606 /nfs/dbraw/zinc/57/96/06/1137579606.db2.gz KLNDMZREYFOWPL-AWEZNQCLSA-N -1 0 335.416 3.601 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)Cc2csc(C3CC3)n2)c1 ZINC000872713650 1137583038 /nfs/dbraw/zinc/58/30/38/1137583038.db2.gz BGWNAFGHSSQYPD-UHFFFAOYSA-N -1 0 336.800 3.553 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)N2CC[C@]3(C(=O)[O-])CCC[C@H]23)cc1 ZINC000872767036 1137584160 /nfs/dbraw/zinc/58/41/60/1137584160.db2.gz ICLJSWMEOHPFAD-GZRFBZBPSA-N -1 0 329.440 3.598 20 0 EHADRM C[C@@H](NC(=O)C(C)(C)SCC(=O)[O-])c1cc2ccccc2s1 ZINC000872844884 1137585439 /nfs/dbraw/zinc/58/54/39/1137585439.db2.gz ZBJKJWRTIMIJBG-SNVBAGLBSA-N -1 0 337.466 3.675 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)Nc1cccc(SC(F)F)c1)C(=O)[O-] ZINC000872844514 1137585488 /nfs/dbraw/zinc/58/54/88/1137585488.db2.gz UTLFQKHBOMYCJS-JGVFFNPUSA-N -1 0 335.397 3.535 20 0 EHADRM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000872867770 1137585796 /nfs/dbraw/zinc/58/57/96/1137585796.db2.gz XOMWLEWPMQWSEL-SJORKVTESA-N -1 0 340.379 3.703 20 0 EHADRM O=C([O-])C1=C(C(=O)NC(c2cccs2)c2cccs2)CCCC1 ZINC000872937856 1137586685 /nfs/dbraw/zinc/58/66/85/1137586685.db2.gz LJTZEIJTQFRTTG-UHFFFAOYSA-N -1 0 347.461 3.970 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)N1Cc2ccccc2-c2ccccc21 ZINC000872980408 1137587452 /nfs/dbraw/zinc/58/74/52/1137587452.db2.gz XFPLBLORRDFWAX-UHFFFAOYSA-N -1 0 341.432 3.797 20 0 EHADRM Cc1ccc(-c2ccccc2NC(=O)C[C@]2(C(=O)[O-])CCOC2)s1 ZINC000872994059 1137587604 /nfs/dbraw/zinc/58/76/04/1137587604.db2.gz KOBQNXIJVSHCSO-GOSISDBHSA-N -1 0 345.420 3.543 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2cc(F)c(F)c(F)c2F)CCCC1 ZINC000872995777 1137587645 /nfs/dbraw/zinc/58/76/45/1137587645.db2.gz FEDYIRLFOOEEPV-UHFFFAOYSA-N -1 0 333.281 3.607 20 0 EHADRM CC(C)CN(C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])C(C)C ZINC000874262405 1137612345 /nfs/dbraw/zinc/61/23/45/1137612345.db2.gz BYVHYTFHJAPYFX-UHFFFAOYSA-N -1 0 329.396 3.971 20 0 EHADRM CC[C@@H](C)N(Cc1ccccc1)C(=O)NCc1ccccc1C(=O)[O-] ZINC000874409943 1137613711 /nfs/dbraw/zinc/61/37/11/1137613711.db2.gz DROQQJPXQQPNFV-OAHLLOKOSA-N -1 0 340.423 3.895 20 0 EHADRM C/C=C/COc1ccc(-c2ccc(OCC(=O)[O-])c(C=O)c2)cc1 ZINC000874969696 1137627189 /nfs/dbraw/zinc/62/71/89/1137627189.db2.gz SAFOSZPNZOOEKI-NSCUHMNNSA-N -1 0 326.348 3.584 20 0 EHADRM COc1cc(C=O)cc(-c2ccc(F)c(C(=O)[O-])c2)c1OC(F)F ZINC000874969528 1137627229 /nfs/dbraw/zinc/62/72/29/1137627229.db2.gz CKAUAONAYPYZAU-UHFFFAOYSA-N -1 0 340.253 3.613 20 0 EHADRM CC[C@H]1CCC[C@@]1(C)C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000878033142 1137700122 /nfs/dbraw/zinc/70/01/22/1137700122.db2.gz RZHMGZOVWUCWAU-APPDUMDISA-N -1 0 333.457 3.572 20 0 EHADRM O=S(=O)(CC(F)(F)F)[N-]c1ccc(C2(C(F)(F)F)CC2)cc1 ZINC001253102313 1137741027 /nfs/dbraw/zinc/74/10/27/1137741027.db2.gz YDEZPJJYWFHWTN-UHFFFAOYSA-N -1 0 347.280 3.585 20 0 EHADRM COc1ccc(CSCc2nc(=O)c3sccc3[n-]2)c(OC)c1 ZINC000882312426 1137825388 /nfs/dbraw/zinc/82/53/88/1137825388.db2.gz OGONEUAYRLQXPA-UHFFFAOYSA-N -1 0 348.449 3.848 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]C(=O)[C@@H](C)c2cccc(F)c2)c1 ZINC000130018395 1137833371 /nfs/dbraw/zinc/83/33/71/1137833371.db2.gz KXLLBRDFOBYSDA-ZDUSSCGKSA-N -1 0 349.427 3.558 20 0 EHADRM O=S(=O)([N-]c1ncsc1C1CC1)c1ccc(C(F)F)cc1 ZINC000882772766 1137833938 /nfs/dbraw/zinc/83/39/38/1137833938.db2.gz KZYWNBJRZCRDFK-UHFFFAOYSA-N -1 0 330.381 3.759 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@H](CC)c2cccc(Cl)c2)s1 ZINC000348256826 1137885229 /nfs/dbraw/zinc/88/52/29/1137885229.db2.gz OWDAWVKXVDFXAN-GFCCVEGCSA-N -1 0 338.864 3.839 20 0 EHADRM O=C(Nc1ccc2ccccc2c1S(=O)(=O)[O-])NC1CCCCC1 ZINC001202615007 1137885482 /nfs/dbraw/zinc/88/54/82/1137885482.db2.gz JDSOVFADCFOVSC-UHFFFAOYSA-N -1 0 348.424 3.541 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000108068184 1137888586 /nfs/dbraw/zinc/88/85/86/1137888586.db2.gz ITGVHFWNZLVTTG-CMJOXMDJSA-N -1 0 329.465 3.795 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)/C=C/c2ccccc2F)n1 ZINC000800042268 1137895490 /nfs/dbraw/zinc/89/54/90/1137895490.db2.gz VMFQVEBFQSYKOH-CMDGGOBGSA-N -1 0 326.418 3.647 20 0 EHADRM O=C(c1cc(O)c2ccccc2c1)N1CC[C@H](Cc2nccs2)C1 ZINC000890214615 1137904017 /nfs/dbraw/zinc/90/40/17/1137904017.db2.gz JLKLBXGIXHZWMT-CYBMUJFWSA-N -1 0 338.432 3.707 20 0 EHADRM CC1(C)C[C@@H](O)c2cccc(NC(=O)c3c([O-])cccc3Cl)c2O1 ZINC000885656575 1138015275 /nfs/dbraw/zinc/01/52/75/1138015275.db2.gz GFTRKQKLLCEEHZ-CQSZACIVSA-N -1 0 347.798 3.892 20 0 EHADRM O=C(NC[C@]1(c2ccccc2)CCCO1)c1cc(F)c([O-])c(Cl)c1 ZINC000885952873 1138028000 /nfs/dbraw/zinc/02/80/00/1138028000.db2.gz NZOHUXCSUKVQAR-SFHVURJKSA-N -1 0 349.789 3.620 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2c(C)cc(Cl)cc2C)n[nH]c1C1CC1 ZINC000886397535 1138073310 /nfs/dbraw/zinc/07/33/10/1138073310.db2.gz NLMRBTCKFZUCQC-UHFFFAOYSA-N -1 0 339.848 3.667 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCC[C@@H]1c1ccc(F)cc1F ZINC001299343855 1138089879 /nfs/dbraw/zinc/08/98/79/1138089879.db2.gz MAHOLBKYPPORMA-OAHLLOKOSA-N -1 0 339.288 3.926 20 0 EHADRM CCO[C@H](CCNC(=O)c1ccc2oc(=S)[n-]c2c1)C1CCCC1 ZINC001137229091 1138106425 /nfs/dbraw/zinc/10/64/25/1138106425.db2.gz BULHIKDTGDUSMI-OAHLLOKOSA-N -1 0 348.468 3.832 20 0 EHADRM CCCCN(CCCC)C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000081256141 1138167218 /nfs/dbraw/zinc/16/72/18/1138167218.db2.gz ZQUAQEDLXHMWKW-UHFFFAOYSA-N -1 0 329.444 3.516 20 0 EHADRM O=C(c1s[n-]c(=O)c1Cl)N1CCCCC[C@@H]1c1ccco1 ZINC000282970935 1138190750 /nfs/dbraw/zinc/19/07/50/1138190750.db2.gz GHRXNOYHMJHUGX-SECBINFHSA-N -1 0 326.805 3.853 20 0 EHADRM Cc1cccc(NC(=O)N[C@](C)(Cc2ccc(F)cc2)C(=O)[O-])c1C ZINC000887277193 1138253945 /nfs/dbraw/zinc/25/39/45/1138253945.db2.gz OIEPTNUYNCBEKJ-LJQANCHMSA-N -1 0 344.386 3.650 20 0 EHADRM C[C@H](NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-])c1csc2ccccc21 ZINC000887287423 1138256158 /nfs/dbraw/zinc/25/61/58/1138256158.db2.gz ZDHUMWVBKZLMDV-ABXZDOEHSA-N -1 0 341.432 3.601 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(C(F)F)cc1F)C1CCCC1 ZINC000887327156 1138267052 /nfs/dbraw/zinc/26/70/52/1138267052.db2.gz YRQASKYCBLOULR-ZDUSSCGKSA-N -1 0 329.318 3.527 20 0 EHADRM CC[C@H](C)c1cccc(NC(=O)N[C@@H](CC2CCOCC2)C(=O)[O-])c1 ZINC000887381007 1138293352 /nfs/dbraw/zinc/29/33/52/1138293352.db2.gz CVIXKBFXSYKFEZ-GUYCJALGSA-N -1 0 348.443 3.592 20 0 EHADRM O=C([O-])[C@H](CC1CC1)NC(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1 ZINC000887382293 1138294025 /nfs/dbraw/zinc/29/40/25/1138294025.db2.gz CLZPHTWZEZTADP-RYUDHWBXSA-N -1 0 348.296 3.634 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1c(F)cccc1NC(C)C ZINC000124927898 1138297181 /nfs/dbraw/zinc/29/71/81/1138297181.db2.gz ZZFPSDWFMIREOM-UHFFFAOYSA-N -1 0 344.433 3.517 20 0 EHADRM CCCOc1ccc(NC(=O)N(C)C[C@@H](C)C(=O)[O-])cc1C(C)C ZINC000887394499 1138302689 /nfs/dbraw/zinc/30/26/89/1138302689.db2.gz SZSQUYYWGLSEKM-CYBMUJFWSA-N -1 0 336.432 3.783 20 0 EHADRM CCc1cc(=O)[nH]c(CS[C@H](C)C(=O)Nc2cc(C)ccc2C)n1 ZINC000125572963 1138311698 /nfs/dbraw/zinc/31/16/98/1138311698.db2.gz XCSBQFQEGHUJIS-CYBMUJFWSA-N -1 0 345.468 3.622 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)c2ccoc2C2CC2)s[n-]1 ZINC000337030461 1138452064 /nfs/dbraw/zinc/45/20/64/1138452064.db2.gz DGEOLXSVJRYTNW-UHFFFAOYSA-N -1 0 331.422 3.720 20 0 EHADRM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1cc(C)ccc1O ZINC000348451362 1138582830 /nfs/dbraw/zinc/58/28/30/1138582830.db2.gz QTCRWTKHHACYBL-UHFFFAOYSA-N -1 0 335.356 3.695 20 0 EHADRM CCOCCC1(CNC(=O)c2ccc([O-])c(Cl)c2)CCCC1 ZINC000134302714 1138681437 /nfs/dbraw/zinc/68/14/37/1138681437.db2.gz WLLCNHBIICCVRH-UHFFFAOYSA-N -1 0 325.836 3.762 20 0 EHADRM Cc1c(F)nccc1Nc1cccc2cc(S(=O)(=O)[O-])ccc21 ZINC001212843835 1138744500 /nfs/dbraw/zinc/74/45/00/1138744500.db2.gz LNICVNUBIUYYNN-UHFFFAOYSA-N -1 0 332.356 3.673 20 0 EHADRM O=C(c1cc(=O)c2ccccc2[n-]1)N1CC2(CCC2)c2c1cccc2F ZINC000338398041 1138890179 /nfs/dbraw/zinc/89/01/79/1138890179.db2.gz ZXHNRBWSHGHMMA-UHFFFAOYSA-N -1 0 348.377 3.749 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCC[C@H](C(F)(F)F)C1 ZINC000178451994 1139696079 /nfs/dbraw/zinc/69/60/79/1139696079.db2.gz MFMAWMRSOYZDHA-ZETCQYMHSA-N -1 0 325.689 3.599 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)C1 ZINC000179985564 1139798009 /nfs/dbraw/zinc/79/80/09/1139798009.db2.gz VNGNEBGVZMLWSZ-DZKIICNBSA-N -1 0 335.831 3.895 20 0 EHADRM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cc(F)c([O-])c(F)c2)s1 ZINC000183582627 1140048009 /nfs/dbraw/zinc/04/80/09/1140048009.db2.gz KBMVXHFIDXVHAZ-MRVPVSSYSA-N -1 0 326.368 3.577 20 0 EHADRM Cc1nc2c(s1)[C@@H](N(C)C(=O)c1cc(F)c([O-])c(F)c1)CCC2 ZINC000183604677 1140049174 /nfs/dbraw/zinc/04/91/74/1140049174.db2.gz FDLQZANYBBHAJP-ZDUSSCGKSA-N -1 0 338.379 3.585 20 0 EHADRM Cc1csc([C@@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)C2CC2)n1 ZINC000184445102 1140102726 /nfs/dbraw/zinc/10/27/26/1140102726.db2.gz MSJXSTPEOVTOQK-LBPRGKRZSA-N -1 0 340.807 3.831 20 0 EHADRM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000186822612 1140223601 /nfs/dbraw/zinc/22/36/01/1140223601.db2.gz BNUYUIFWNMIJEF-MFKMUULPSA-N -1 0 335.325 3.828 20 0 EHADRM CCOCCC1(CNC(=O)c2cc(F)c([O-])c(Cl)c2)CCC1 ZINC000187380436 1140253150 /nfs/dbraw/zinc/25/31/50/1140253150.db2.gz YHFRPAXPFZZZOC-UHFFFAOYSA-N -1 0 329.799 3.511 20 0 EHADRM O=C(c1c([O-])cc(Cl)cc1Cl)N1CCC([C@H]2CCCO2)CC1 ZINC000187517092 1140259677 /nfs/dbraw/zinc/25/96/77/1140259677.db2.gz KLDMZBRWGAGUQY-CQSZACIVSA-N -1 0 344.238 3.730 20 0 EHADRM Cc1occc1S([O-])=CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000189628209 1140356512 /nfs/dbraw/zinc/35/65/12/1140356512.db2.gz MIPCTFMXOSWWMC-RKFFSXRUSA-N -1 0 339.844 3.569 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)CCc2ccc(F)cc2)cc1)C(=O)[O-] ZINC000191438657 1140464387 /nfs/dbraw/zinc/46/43/87/1140464387.db2.gz PPHZXQDMXXIAMZ-ZDUSSCGKSA-N -1 0 329.371 3.660 20 0 EHADRM C[C@H](NC(=O)C1CCC(C(=O)[O-])CC1)c1cccc(C(F)(F)F)c1 ZINC000194384039 1140606324 /nfs/dbraw/zinc/60/63/24/1140606324.db2.gz CXUNYHZQHCRCBC-UNXYVOJBSA-N -1 0 343.345 3.774 20 0 EHADRM O=C([O-])C1CCC(C(=O)N2CCC[C@H]2Cc2ccccc2Cl)CC1 ZINC000194401281 1140607529 /nfs/dbraw/zinc/60/75/29/1140607529.db2.gz KBDWLJSIKDRGTF-XUJLQICISA-N -1 0 349.858 3.765 20 0 EHADRM O=C([O-])C1CCC(C(=O)N(Cc2ccoc2)C2CCCCC2)CC1 ZINC000194420555 1140608922 /nfs/dbraw/zinc/60/89/22/1140608922.db2.gz AECKJALUWITMGW-UHFFFAOYSA-N -1 0 333.428 3.832 20 0 EHADRM Cc1c(NC(=O)C2CCC(C(=O)[O-])CC2)cccc1C(F)(F)F ZINC000194436788 1140609700 /nfs/dbraw/zinc/60/97/00/1140609700.db2.gz AGXJYVDTNNNLQY-UHFFFAOYSA-N -1 0 329.318 3.843 20 0 EHADRM CCN(CC)C(=O)CCCC(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000271252550 1141334300 /nfs/dbraw/zinc/33/43/00/1141334300.db2.gz FFVZHIRMPKQTLB-UHFFFAOYSA-N -1 0 347.242 3.676 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCC(OC2CCCCC2)CC1 ZINC000273929443 1141448337 /nfs/dbraw/zinc/44/83/37/1141448337.db2.gz HPJVSSCEPVATSH-UHFFFAOYSA-N -1 0 339.382 3.624 20 0 EHADRM Cc1ccc(C)n1C1CCN(C(=O)c2cc(F)c([O-])c(F)c2)CC1 ZINC000273933309 1141448369 /nfs/dbraw/zinc/44/83/69/1141448369.db2.gz INJKRINMWQVYGF-UHFFFAOYSA-N -1 0 334.366 3.566 20 0 EHADRM COc1cc2c(c(/C=C/c3nc(C(=O)[O-])c(C)s3)c1)O[C@@H](C)C2 ZINC000339113450 1141500944 /nfs/dbraw/zinc/50/09/44/1141500944.db2.gz AJGJHLYHWDKODY-MOVJSRMASA-N -1 0 331.393 3.652 20 0 EHADRM COc1cc2c(c(/C=C\c3nc(C(=O)[O-])c(C)s3)c1)O[C@@H](C)C2 ZINC000339113451 1141501091 /nfs/dbraw/zinc/50/10/91/1141501091.db2.gz AJGJHLYHWDKODY-WBSSQXGSSA-N -1 0 331.393 3.652 20 0 EHADRM CCC(CC)(CC(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2)C(=O)[O-] ZINC000349000094 1141619951 /nfs/dbraw/zinc/61/99/51/1141619951.db2.gz ZEPPUCNWVXYVCW-UHFFFAOYSA-N -1 0 347.411 3.650 20 0 EHADRM C[C@H]1CCc2c(sc3ncnc(NCCCCCC(=O)[O-])c32)C1 ZINC000020311397 202037630 /nfs/dbraw/zinc/03/76/30/202037630.db2.gz STLLFLNDDHRNHY-NSHDSACASA-N -1 0 333.457 3.873 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)c(Br)c1 ZINC000028195955 202165290 /nfs/dbraw/zinc/16/52/90/202165290.db2.gz MLIUBDGAPISJBC-UHFFFAOYSA-N -1 0 344.205 3.697 20 0 EHADRM Cc1ccc(C)c(OCC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000031947987 212769425 /nfs/dbraw/zinc/76/94/25/212769425.db2.gz AVUSIPQEJGDVCS-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM O=C(Nc1ncc(Br)s1)c1cc(Cl)ccc1[O-] ZINC000037486544 202344299 /nfs/dbraw/zinc/34/42/99/202344299.db2.gz NDHAIXPXQVVGOS-UHFFFAOYSA-N -1 0 333.594 3.517 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)c(F)c1)c1ccc(Cl)s1 ZINC000071977306 203155997 /nfs/dbraw/zinc/15/59/97/203155997.db2.gz DSZKDNUVZXNZTG-UHFFFAOYSA-N -1 0 326.201 3.995 20 0 EHADRM O=C([O-])c1c(NC(=O)Cc2ccc(F)cc2)sc2c1CCCC2 ZINC000020333414 212120458 /nfs/dbraw/zinc/12/04/58/212120458.db2.gz KFMBHXQBXRBMDP-UHFFFAOYSA-N -1 0 333.384 3.645 20 0 EHADRM CCc1cccc(OCC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)c1 ZINC000020334727 212120144 /nfs/dbraw/zinc/12/01/44/212120144.db2.gz SSWDGHPNPMCVFX-UHFFFAOYSA-N -1 0 345.420 3.515 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2ccc(C(C)(C)C)cc2)cc1C(=O)[O-] ZINC000013348735 207374368 /nfs/dbraw/zinc/37/43/68/207374368.db2.gz LIQDPDKRYAIQQX-UHFFFAOYSA-N -1 0 347.436 3.792 20 0 EHADRM O=C([O-])CCCCCCNC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000036966522 527577351 /nfs/dbraw/zinc/57/73/51/527577351.db2.gz SIGOWKNUZKBNBS-UHFFFAOYSA-N -1 0 332.227 3.687 20 0 EHADRM CC(C)(C)c1cccc(Oc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000735652287 598954071 /nfs/dbraw/zinc/95/40/71/598954071.db2.gz FPIFTWUVGBZZSQ-UHFFFAOYSA-N -1 0 346.394 3.900 20 0 EHADRM C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CSCC(=O)[O-] ZINC000603614589 597086253 /nfs/dbraw/zinc/08/62/53/597086253.db2.gz HQOAIBXFWLDSRI-OAHLLOKOSA-N -1 0 343.448 3.594 20 0 EHADRM C[C@]12CC3CC(C(=O)N4CCC[C@H](CC(=O)[O-])C4)(C1)C[C@@](C)(C3)C2 ZINC000325206081 597094807 /nfs/dbraw/zinc/09/48/07/597094807.db2.gz FJGBOSGHGAWLET-LSBCEZMCSA-N -1 0 333.472 3.696 20 0 EHADRM O=C([O-])CSCC(=O)Nc1cccc(CSC2CCCC2)c1 ZINC000566224295 597095180 /nfs/dbraw/zinc/09/51/80/597095180.db2.gz WZZWODBDZJKSPQ-UHFFFAOYSA-N -1 0 339.482 3.619 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)CCSc2ccccc2Cl)C1 ZINC000386011298 597101505 /nfs/dbraw/zinc/10/15/05/597101505.db2.gz PZHVUZDWYDKAJU-GFCCVEGCSA-N -1 0 341.860 3.536 20 0 EHADRM Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)N[C@H](C)C(=O)[O-] ZINC000818849356 597177045 /nfs/dbraw/zinc/17/70/45/597177045.db2.gz ZBMPODPIKXVIEC-KGLIPLIRSA-N -1 0 342.395 3.730 20 0 EHADRM CCc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(CC(=O)[O-])c2)o1 ZINC000737902665 597190233 /nfs/dbraw/zinc/19/02/33/597190233.db2.gz NZNDDQOWULVOBS-INIZCTEOSA-N -1 0 342.395 3.838 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)NCc2ccc(C(=O)[O-])cc2)c(C)s1 ZINC000261623303 597212947 /nfs/dbraw/zinc/21/29/47/597212947.db2.gz BGBFSAUZFIRLAM-LLVKDONJSA-N -1 0 332.425 3.624 20 0 EHADRM O=C([O-])CSc1nnc(Cc2ccccc2)n1C1CCCCC1 ZINC000000882778 597228903 /nfs/dbraw/zinc/22/89/03/597228903.db2.gz XOHREBCGLCHCHN-UHFFFAOYSA-N -1 0 331.441 3.551 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000324924276 597230979 /nfs/dbraw/zinc/23/09/79/597230979.db2.gz SNEANORGNCSIHA-LBPRGKRZSA-N -1 0 346.814 3.941 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000324924275 597230980 /nfs/dbraw/zinc/23/09/80/597230980.db2.gz SNEANORGNCSIHA-GFCCVEGCSA-N -1 0 346.814 3.941 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000818070897 597283041 /nfs/dbraw/zinc/28/30/41/597283041.db2.gz CFDFQIDBUMSZPB-LLVKDONJSA-N -1 0 338.812 3.714 20 0 EHADRM CCCCc1nc(C[S@](=O)Cc2ccc(C(=O)[O-])cc2)cs1 ZINC000818171801 597286060 /nfs/dbraw/zinc/28/60/60/597286060.db2.gz GYRZZILOCQQUAJ-JOCHJYFZSA-N -1 0 337.466 3.633 20 0 EHADRM CC(C)(C(=O)Nc1ccccc1CC(=O)[O-])c1ccc(Cl)cc1 ZINC000817791369 597316800 /nfs/dbraw/zinc/31/68/00/597316800.db2.gz FKNZZHTXSILPTN-UHFFFAOYSA-N -1 0 331.799 3.883 20 0 EHADRM Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccccc2CC(=O)[O-])s1 ZINC000818990687 597338859 /nfs/dbraw/zinc/33/88/59/597338859.db2.gz MHKQELOYLADYAR-NSHDSACASA-N -1 0 347.440 3.612 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N(CC1CCCCC1)C1CC1 ZINC000819602914 597342319 /nfs/dbraw/zinc/34/23/19/597342319.db2.gz OFJKJZSSHKLUND-UHFFFAOYSA-N -1 0 330.428 3.890 20 0 EHADRM O=C([O-])c1ccc(C[S@@](=O)[C@H]2CCc3c2cccc3Cl)cc1 ZINC000821545597 597373573 /nfs/dbraw/zinc/37/35/73/597373573.db2.gz HMWFQJIOXJKINU-KSFYIVLOSA-N -1 0 334.824 3.974 20 0 EHADRM Cc1cccc(C(=O)Nc2ccccc2CC(=O)[O-])c1Br ZINC000235915266 597412389 /nfs/dbraw/zinc/41/23/89/597412389.db2.gz UBDBBVDFPGYMOJ-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2ccccc2CCC(F)(F)F)C1 ZINC000562922316 597436892 /nfs/dbraw/zinc/43/68/92/597436892.db2.gz VMUWQIKXBWQABP-LBPRGKRZSA-N -1 0 343.345 3.508 20 0 EHADRM CC[C@H](C)n1ncc(C(=O)Nc2ccc(C(=O)[O-])cc2F)c1C1CC1 ZINC000820272437 598050626 /nfs/dbraw/zinc/05/06/26/598050626.db2.gz CHKKTZZMTXBBPU-JTQLQIEISA-N -1 0 345.374 3.821 20 0 EHADRM O=C([O-])C1CCC(Nc2ccc(N3CCCC3=O)c(Cl)c2)CC1 ZINC000821508840 598102203 /nfs/dbraw/zinc/10/22/03/598102203.db2.gz IWBRTTUXBVYVQJ-UHFFFAOYSA-N -1 0 336.819 3.522 20 0 EHADRM CCN(C(=O)c1cccc(C(=O)[O-])c1)c1nc2ccccc2s1 ZINC000820333204 598150816 /nfs/dbraw/zinc/15/08/16/598150816.db2.gz WJZOQDKCIFMHAW-UHFFFAOYSA-N -1 0 326.377 3.661 20 0 EHADRM CCN(C(=O)NCCCCC(=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000666558062 598167686 /nfs/dbraw/zinc/16/76/86/598167686.db2.gz HPXSJKWXJLPLSN-ZDUSSCGKSA-N -1 0 332.400 3.780 20 0 EHADRM COc1ccccc1[C@H](NCc1cccc(C(=O)[O-])c1)c1ccccn1 ZINC000820876451 598205066 /nfs/dbraw/zinc/20/50/66/598205066.db2.gz JRHVEBNUCSVMQQ-FQEVSTJZSA-N -1 0 348.402 3.668 20 0 EHADRM O=C([O-])[C@@H]1CCCN1C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000679556767 598206473 /nfs/dbraw/zinc/20/64/73/598206473.db2.gz XQDGZBUBUPRLDH-KRWDZBQOSA-N -1 0 346.427 3.617 20 0 EHADRM CCOc1ccccc1[C@H](CC)NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000737211036 599703383 /nfs/dbraw/zinc/70/33/83/599703383.db2.gz LYGOTOUOWVJUEZ-AWEZNQCLSA-N -1 0 344.411 3.610 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)CCCNC(=O)[O-])cc2)cc1 ZINC000738650444 599708778 /nfs/dbraw/zinc/70/87/78/599708778.db2.gz XJSAQDUHNCZKGM-UHFFFAOYSA-N -1 0 328.368 3.774 20 0 EHADRM CN(C)c1ccc(NC(=O)c2ccccc2NC(=O)[O-])cc1Cl ZINC000737374864 599709024 /nfs/dbraw/zinc/70/90/24/599709024.db2.gz ADZGDANRRROASH-UHFFFAOYSA-N -1 0 333.775 3.748 20 0 EHADRM CCCc1ccc(-c2nc(NC(=O)CCNC(=O)[O-])sc2C)cc1 ZINC000737045549 599709312 /nfs/dbraw/zinc/70/93/12/599709312.db2.gz WZXIEFZSXWGTAC-UHFFFAOYSA-N -1 0 347.440 3.667 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CNC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)o1 ZINC000736762436 599714437 /nfs/dbraw/zinc/71/44/37/599714437.db2.gz AZXLLHFLNOFJSO-CABZTGNLSA-N -1 0 347.346 3.954 20 0 EHADRM COc1ccccc1[C@@H](C)NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000738118989 599715859 /nfs/dbraw/zinc/71/58/59/599715859.db2.gz FYSBFMOKXZKTFR-SNVBAGLBSA-N -1 0 347.346 3.807 20 0 EHADRM CCc1ccc(CNC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)s1 ZINC000737265545 599716014 /nfs/dbraw/zinc/71/60/14/599716014.db2.gz SJXYMJNIPFULKH-UHFFFAOYSA-N -1 0 337.376 3.861 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000236728101 599724287 /nfs/dbraw/zinc/72/42/87/599724287.db2.gz JODPADOSTAIMEU-RTBURBONSA-N -1 0 339.435 3.903 20 0 EHADRM C[C@@H](NC(=O)CCCN(C)C(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000736634843 599724691 /nfs/dbraw/zinc/72/46/91/599724691.db2.gz AFUVWMNGWIPTIG-OAHLLOKOSA-N -1 0 340.423 3.921 20 0 EHADRM C[C@H](NC(=O)CCCN(C)C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000736635159 599724945 /nfs/dbraw/zinc/72/49/45/599724945.db2.gz DHPPFFXMWFVEFF-VIFPVBQESA-N -1 0 333.215 3.561 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000679399432 599725173 /nfs/dbraw/zinc/72/51/73/599725173.db2.gz AZHZRXBYUZTWGC-ZYSHUDEJSA-N -1 0 337.419 3.799 20 0 EHADRM C[C@H]1CCC[C@H](OCc2cccc(NC(=O)CCCNC(=O)[O-])c2)C1 ZINC000736779581 599727953 /nfs/dbraw/zinc/72/79/53/599727953.db2.gz IZZHMDOCIQIYBL-YOEHRIQHSA-N -1 0 348.443 3.768 20 0 EHADRM O=C([O-])NCCCC(=O)NCc1ccccc1Sc1ccccc1 ZINC000739957549 599733712 /nfs/dbraw/zinc/73/37/12/599733712.db2.gz VQCVKSPPLYXGLM-UHFFFAOYSA-N -1 0 344.436 3.502 20 0 EHADRM CC(C)C[C@H](C)CC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000236731553 599739928 /nfs/dbraw/zinc/73/99/28/599739928.db2.gz OXEHWSDEWHYDHH-ZDUSSCGKSA-N -1 0 342.439 3.823 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000236953601 599744709 /nfs/dbraw/zinc/74/47/09/599744709.db2.gz XMPPLFPBMRPMSI-PGUXBMHVSA-N -1 0 345.361 3.815 20 0 EHADRM CCCN(CC)c1ccc(C(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)cn1 ZINC000737020329 599747859 /nfs/dbraw/zinc/74/78/59/599747859.db2.gz VAGXDGJGPHRYLE-GFCCVEGCSA-N -1 0 346.383 3.527 20 0 EHADRM O=C([O-])c1occc1COC(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000739261545 599748199 /nfs/dbraw/zinc/74/81/99/599748199.db2.gz UTDQAOIRITWNIL-UHFFFAOYSA-N -1 0 343.162 3.961 20 0 EHADRM O=C([O-])CSCCC(=O)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000739844920 599751040 /nfs/dbraw/zinc/75/10/40/599751040.db2.gz NIGCLOVHUDYKIM-QGZVFWFLSA-N -1 0 343.448 3.711 20 0 EHADRM CCC/C=C\C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000736973266 599752614 /nfs/dbraw/zinc/75/26/14/599752614.db2.gz IAVCZRMWPUNDKP-PLNGDYQASA-N -1 0 331.290 3.621 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1 ZINC000238033864 599768832 /nfs/dbraw/zinc/76/88/32/599768832.db2.gz UTPBHNJOGQSHNO-UHFFFAOYSA-N -1 0 337.297 3.975 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000178258888 599771332 /nfs/dbraw/zinc/77/13/32/599771332.db2.gz ZIZDHINDXUHMNB-CYBMUJFWSA-N -1 0 329.371 3.660 20 0 EHADRM Cc1nc(-c2ccco2)ccc1C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC000738838450 599789920 /nfs/dbraw/zinc/78/99/20/599789920.db2.gz WLBCTFYGYKMMCX-UHFFFAOYSA-N -1 0 337.331 3.705 20 0 EHADRM O=C([O-])c1coc(COC(=O)[C@H]2C[C@H]2c2cccc3ccccc32)c1 ZINC000740268071 599791282 /nfs/dbraw/zinc/79/12/82/599791282.db2.gz PLGBBQFTMZELAH-ROUUACIJSA-N -1 0 336.343 3.978 20 0 EHADRM O=C([O-])COc1ccc(C(=O)O[C@H]2CCc3ccc(Cl)cc32)cc1 ZINC000739824049 599793828 /nfs/dbraw/zinc/79/38/28/599793828.db2.gz SKFFLDBXFRBYLS-INIZCTEOSA-N -1 0 346.766 3.648 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)N[C@@H](CC2CCCCC2)c2ccccc2)C1 ZINC000739592617 599796139 /nfs/dbraw/zinc/79/61/39/599796139.db2.gz HPAYYIRVYGCMES-ROUUACIJSA-N -1 0 344.455 3.814 20 0 EHADRM O=C([O-])c1c(NC(=O)c2cc(Cl)ccc2F)sc2c1CCC2 ZINC000314256800 599798593 /nfs/dbraw/zinc/79/85/93/599798593.db2.gz YGVIBBAWNAITQD-UHFFFAOYSA-N -1 0 339.775 3.980 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2CC=CCC2)c(OCC(F)(F)F)c1 ZINC000621552729 599798709 /nfs/dbraw/zinc/79/87/09/599798709.db2.gz AWWYJKDIWRLZJX-SNVBAGLBSA-N -1 0 343.301 3.621 20 0 EHADRM Cc1cc(C)c2cc(C(=O)Nc3ccsc3C(=O)[O-])sc2n1 ZINC000738358093 599803572 /nfs/dbraw/zinc/80/35/72/599803572.db2.gz PRZVYOQJSULICU-UHFFFAOYSA-N -1 0 332.406 3.925 20 0 EHADRM Cc1ccc2c(CC(=O)Nc3ccsc3C(=O)[O-])coc2c1C ZINC000738666034 599804041 /nfs/dbraw/zinc/80/40/41/599804041.db2.gz QJVOFXDHVBFRDB-UHFFFAOYSA-N -1 0 329.377 3.991 20 0 EHADRM COc1ccc(COCCSCc2ccc(C(=O)[O-])cc2)cc1 ZINC000738010158 599805134 /nfs/dbraw/zinc/80/51/34/599805134.db2.gz BNPJPWOPIXIPKR-UHFFFAOYSA-N -1 0 332.421 3.843 20 0 EHADRM Cc1ccc2c(Cl)c(C(=O)N(C)C[C@@H](C)C(=O)[O-])sc2c1 ZINC000643430058 599808289 /nfs/dbraw/zinc/80/82/89/599808289.db2.gz HSEXLAZBHQDNKB-SECBINFHSA-N -1 0 325.817 3.656 20 0 EHADRM CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000736377326 599809982 /nfs/dbraw/zinc/80/99/82/599809982.db2.gz ZPAYPWVLGZSJII-SNVBAGLBSA-N -1 0 339.606 3.878 20 0 EHADRM Cc1ccc(C(C)C)cc1OCC(=O)N(C)c1ccccc1C(=O)[O-] ZINC000738550766 599839435 /nfs/dbraw/zinc/83/94/35/599839435.db2.gz HNZFVLWEXCJRSO-UHFFFAOYSA-N -1 0 341.407 3.858 20 0 EHADRM CCCN(Cn1nc(C(=O)[O-])c(Cl)c1C)[C@H]1CCc2ccccc21 ZINC000737021623 599841178 /nfs/dbraw/zinc/84/11/78/599841178.db2.gz ZHMCQLKYKQXCGT-HNNXBMFYSA-N -1 0 347.846 3.900 20 0 EHADRM Cc1cccc(C)c1OCCC(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000324869518 599843725 /nfs/dbraw/zinc/84/37/25/599843725.db2.gz KIHJSXIRNGUWAP-UHFFFAOYSA-N -1 0 331.343 3.548 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(F)ccc2C)cc1 ZINC000738203388 599847608 /nfs/dbraw/zinc/84/76/08/599847608.db2.gz VRXWALBEJWGVGV-MRXNPFEDSA-N -1 0 347.411 3.802 20 0 EHADRM CCCNC(=O)Nc1cccc(OCc2ccc(F)cc2C(=O)[O-])c1 ZINC000737029045 599856187 /nfs/dbraw/zinc/85/61/87/599856187.db2.gz YCYJNTNWWQPZKP-UHFFFAOYSA-N -1 0 346.358 3.634 20 0 EHADRM CC(C)c1ccc(C(=O)COC(=O)c2ccccc2NC(=O)[O-])cc1 ZINC000736512683 599866675 /nfs/dbraw/zinc/86/66/75/599866675.db2.gz LRNLZIULUOFMJB-UHFFFAOYSA-N -1 0 341.363 3.940 20 0 EHADRM Cc1cc(C)cc(OCCOC(=O)c2ccccc2NC(=O)[O-])c1 ZINC000738369085 599869252 /nfs/dbraw/zinc/86/92/52/599869252.db2.gz KWVLXNFJHWWAIT-UHFFFAOYSA-N -1 0 329.352 3.629 20 0 EHADRM Cc1nc(Cl)cc(NCc2c3ccccc3sc2C(=O)[O-])n1 ZINC000738859288 599874610 /nfs/dbraw/zinc/87/46/10/599874610.db2.gz NWXMMIPLJVQLTE-UHFFFAOYSA-N -1 0 333.800 3.963 20 0 EHADRM O=C([O-])c1ccoc1CNC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000740250964 599875988 /nfs/dbraw/zinc/87/59/88/599875988.db2.gz CLZSOBARHHRIOO-UHFFFAOYSA-N -1 0 325.286 3.776 20 0 EHADRM Cc1cc(OCC(=O)OCc2cc(C(=O)[O-])co2)ccc1C(C)C ZINC000738474744 599877800 /nfs/dbraw/zinc/87/78/00/599877800.db2.gz QAADHZDSHKQPBG-UHFFFAOYSA-N -1 0 332.352 3.532 20 0 EHADRM Cc1ccccc1N(C(=O)c1cccc(OCC(=O)[O-])c1)C(C)C ZINC000738778212 599886250 /nfs/dbraw/zinc/88/62/50/599886250.db2.gz NYOGBOQZVGEKHJ-UHFFFAOYSA-N -1 0 327.380 3.514 20 0 EHADRM O=C([O-])N1CCC[C@@H](NC(=O)Nc2ccccc2-c2cccs2)C1 ZINC000739489910 599890095 /nfs/dbraw/zinc/89/00/95/599890095.db2.gz TYNHPDOUBYWREW-GFCCVEGCSA-N -1 0 345.424 3.679 20 0 EHADRM C[C@H](OC(=O)[C@H]1CCOc2ccccc21)c1ccc(C(=O)[O-])cc1 ZINC000738228353 599890545 /nfs/dbraw/zinc/89/05/45/599890545.db2.gz SFZLMKZZZLXWER-LRDDRELGSA-N -1 0 326.348 3.555 20 0 EHADRM O=C([O-])C1(NC(=O)c2cccc(OC3CCCC3)c2)CCCCC1 ZINC000237984807 599890625 /nfs/dbraw/zinc/89/06/25/599890625.db2.gz ZOUPGRQORJLFCS-UHFFFAOYSA-N -1 0 331.412 3.525 20 0 EHADRM CN(C(=O)c1cccc(OC2CCCC2)c1)c1ccccc1C(=O)[O-] ZINC000737341332 599891203 /nfs/dbraw/zinc/89/12/03/599891203.db2.gz SNZYHHVBVWVHFU-UHFFFAOYSA-N -1 0 339.391 3.983 20 0 EHADRM O=C([O-])c1cnc(NC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)s1 ZINC000740261088 599891598 /nfs/dbraw/zinc/89/15/98/599891598.db2.gz UTWMBQXMJHACKT-KBPBESRZSA-N -1 0 338.388 3.737 20 0 EHADRM O=C([O-])c1cnc(NC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)s1 ZINC000740261098 599891645 /nfs/dbraw/zinc/89/16/45/599891645.db2.gz UTWMBQXMJHACKT-ZIAGYGMSSA-N -1 0 338.388 3.737 20 0 EHADRM CCOc1ccc(NC(=O)c2cccc(NC(=O)[O-])c2)cc1OCC ZINC000737203506 599895014 /nfs/dbraw/zinc/89/50/14/599895014.db2.gz NSOSDRBJWDVTIW-UHFFFAOYSA-N -1 0 344.367 3.826 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)c1cc(F)c(F)c(F)c1 ZINC000316022066 599905583 /nfs/dbraw/zinc/90/55/83/599905583.db2.gz GQFYMZWEQYDHRA-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)Oc1cc(C(=O)[O-])ccc1C ZINC000738121564 599905960 /nfs/dbraw/zinc/90/59/60/599905960.db2.gz SONKBAWWRKQKCK-CYBMUJFWSA-N -1 0 328.364 3.801 20 0 EHADRM COc1ccc(NC(=O)C[C@@H](C)c2ccccc2OC)c(C(=O)[O-])c1 ZINC000263294956 599909077 /nfs/dbraw/zinc/90/90/77/599909077.db2.gz MGDQVSFZBGHONA-GFCCVEGCSA-N -1 0 343.379 3.534 20 0 EHADRM CC(C)OCc1cccc(NC(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000736486404 599909526 /nfs/dbraw/zinc/90/95/26/599909526.db2.gz SZTGNSPRKZAGQN-UHFFFAOYSA-N -1 0 328.368 3.954 20 0 EHADRM O=Cc1cc(C(=O)[O-])ccc1OCc1csc(-c2cccs2)n1 ZINC000740317345 599910746 /nfs/dbraw/zinc/91/07/46/599910746.db2.gz OOEQFJABSZTGBE-UHFFFAOYSA-N -1 0 345.401 3.961 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)Cc2csc(C(C)(C)C)n2)cc1 ZINC000737331228 599914409 /nfs/dbraw/zinc/91/44/09/599914409.db2.gz HERYPNFOKHICKB-UHFFFAOYSA-N -1 0 347.440 3.736 20 0 EHADRM COC(=O)c1cccc(NCc2c3ccccc3sc2C(=O)[O-])c1 ZINC000737712171 599936274 /nfs/dbraw/zinc/93/62/74/599936274.db2.gz GFVXLARAZGISEC-UHFFFAOYSA-N -1 0 341.388 3.998 20 0 EHADRM Cc1ccc(SCC(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000193459893 599936282 /nfs/dbraw/zinc/93/62/82/599936282.db2.gz AYQFLDHLQBDVNL-KRWDZBQOSA-N -1 0 343.448 3.809 20 0 EHADRM Cc1ccccc1SCC(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000193459569 599937073 /nfs/dbraw/zinc/93/70/73/599937073.db2.gz OYXSFJGEGGFHMU-MRXNPFEDSA-N -1 0 343.448 3.809 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)c1ccc(OC(F)F)cc1)c1ccccc1 ZINC000193450652 599936972 /nfs/dbraw/zinc/93/69/72/599936972.db2.gz HCILKGUGXPBZEY-HNNXBMFYSA-N -1 0 349.333 3.624 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000236946451 599939666 /nfs/dbraw/zinc/93/96/66/599939666.db2.gz OUHFSKHQERBJGX-UHFFFAOYSA-N -1 0 333.334 3.569 20 0 EHADRM CCCN(CC)c1ccc(C(=O)Nc2cccc(C(=O)[O-])c2O)cc1 ZINC000737019952 599945431 /nfs/dbraw/zinc/94/54/31/599945431.db2.gz QIGZECJASORTHZ-UHFFFAOYSA-N -1 0 342.395 3.579 20 0 EHADRM O=C([O-])c1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)c1O ZINC000740228851 599949169 /nfs/dbraw/zinc/94/91/69/599949169.db2.gz RPMASLBJZBXCLR-DLBZAZTESA-N -1 0 347.370 3.986 20 0 EHADRM COc1cc(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)ccc1OC(C)C ZINC000261711209 599950214 /nfs/dbraw/zinc/95/02/14/599950214.db2.gz DRKDEUBVFSFQIH-UHFFFAOYSA-N -1 0 343.379 3.741 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)c1nccc2ccccc21)c1ccccc1 ZINC000194553597 599951411 /nfs/dbraw/zinc/95/14/11/599951411.db2.gz OFCKLBBBHTUCQZ-QGZVFWFLSA-N -1 0 334.375 3.571 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1OCC(C)C ZINC000738536005 599970379 /nfs/dbraw/zinc/97/03/79/599970379.db2.gz XPJGPDOISGZYOM-UHFFFAOYSA-N -1 0 327.380 3.980 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)[C@H](C)c1ccccc1F)C(=O)[O-] ZINC000237402938 599971464 /nfs/dbraw/zinc/97/14/64/599971464.db2.gz CJWNZNBVSDYOTN-HUUCEWRRSA-N -1 0 343.398 3.679 20 0 EHADRM C[C@H](C(=O)Nc1cccc(CSCC(=O)[O-])c1)c1ccccc1F ZINC000237458576 599972646 /nfs/dbraw/zinc/97/26/46/599972646.db2.gz DCMSJENQLPQVSX-LBPRGKRZSA-N -1 0 347.411 3.886 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc(F)c(C)c1 ZINC000738453123 599985942 /nfs/dbraw/zinc/98/59/42/599985942.db2.gz XERLEHJWVCLSKE-LBPRGKRZSA-N -1 0 330.359 3.580 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000737331013 599994130 /nfs/dbraw/zinc/99/41/30/599994130.db2.gz GYQKXUYSUHCVKM-ZIAGYGMSSA-N -1 0 346.333 3.821 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)N2Cc3ccccc3C2)c1 ZINC000739871544 599996846 /nfs/dbraw/zinc/99/68/46/599996846.db2.gz DXKKYEMJERFPRM-UHFFFAOYSA-N -1 0 342.420 3.552 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)OCc2cc(-c3ccccc3)on2)c1 ZINC000740038367 599999469 /nfs/dbraw/zinc/99/94/69/599999469.db2.gz DDBYKNCNPRYGCX-UHFFFAOYSA-N -1 0 338.319 3.789 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)N[C@@H](CC(=O)[O-])c2cccs2)c1 ZINC000737735613 600000476 /nfs/dbraw/zinc/00/04/76/600000476.db2.gz SKPSGBCTCNMMRN-FZMZJTMJSA-N -1 0 348.424 3.793 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)N[C@H](CC(=O)[O-])c2cccs2)c1 ZINC000737735621 600000580 /nfs/dbraw/zinc/00/05/80/600000580.db2.gz SKPSGBCTCNMMRN-SMDDNHRTSA-N -1 0 348.424 3.793 20 0 EHADRM Cc1ccc(C(=O)[C@@H](C)OC(=O)c2cccc(NC(=O)[O-])c2)cc1C ZINC000738502785 600001909 /nfs/dbraw/zinc/00/19/09/600001909.db2.gz LIRHHPYSZHJXHN-CYBMUJFWSA-N -1 0 341.363 3.822 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)/C=C\c2ccc(Cl)s2)c1 ZINC000388446036 600002237 /nfs/dbraw/zinc/00/22/37/600002237.db2.gz FLMDMIXELCDUIH-DAXSKMNVSA-N -1 0 337.784 3.760 20 0 EHADRM O=C([O-])C1CCC(Nc2nn3cc(-c4ccccc4)nc3s2)CC1 ZINC000739568882 600007010 /nfs/dbraw/zinc/00/70/10/600007010.db2.gz QQAYBCSJGQYNEE-UHFFFAOYSA-N -1 0 342.424 3.513 20 0 EHADRM Cc1ccc(OC[C@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000738644071 600015335 /nfs/dbraw/zinc/01/53/35/600015335.db2.gz UNENAOPJNRTODY-AWEZNQCLSA-N -1 0 342.395 3.591 20 0 EHADRM COc1ccc(C)cc1[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000737976351 600017416 /nfs/dbraw/zinc/01/74/16/600017416.db2.gz SDZZTTUSXNOWQA-ZDUSSCGKSA-N -1 0 342.395 3.893 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)C1 ZINC000463465991 600019524 /nfs/dbraw/zinc/01/95/24/600019524.db2.gz FZSRVSUUQXUULA-CQSZACIVSA-N -1 0 349.858 3.865 20 0 EHADRM CCN(Cc1ccoc1)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000737107739 600019504 /nfs/dbraw/zinc/01/95/04/600019504.db2.gz HXTSGAARMOGAPP-UHFFFAOYSA-N -1 0 348.424 3.651 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc(CSCC(=O)[O-])c1)c1ccccc1 ZINC000736648595 600020924 /nfs/dbraw/zinc/02/09/24/600020924.db2.gz GRBQSJOQFPDOII-CYBMUJFWSA-N -1 0 344.436 3.887 20 0 EHADRM CN(Cc1csc2ccccc12)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263478562 600027244 /nfs/dbraw/zinc/02/72/44/600027244.db2.gz NHVMQIDCHPNKPS-UHFFFAOYSA-N -1 0 346.452 3.686 20 0 EHADRM CCN(Cc1ccccc1Cl)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263512497 600027395 /nfs/dbraw/zinc/02/73/95/600027395.db2.gz ZFJVPXCTIRSNSX-UHFFFAOYSA-N -1 0 338.835 3.515 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263495567 600028712 /nfs/dbraw/zinc/02/87/12/600028712.db2.gz QQHWYWBWAQWFDF-UHFFFAOYSA-N -1 0 342.848 3.827 20 0 EHADRM O=C([O-])C1CCC(NC(=O)N2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000263510590 600031769 /nfs/dbraw/zinc/03/17/69/600031769.db2.gz YQDFRFLYERQIRH-WWDZGPRUSA-N -1 0 344.455 3.609 20 0 EHADRM O=C([O-])CCCNC(=O)N(Cc1c(Cl)cccc1Cl)C1CC1 ZINC000263498170 600032566 /nfs/dbraw/zinc/03/25/66/600032566.db2.gz UMLXUXHDVMHOMP-UHFFFAOYSA-N -1 0 345.226 3.532 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Oc2ccc(Br)cc2)cc1 ZINC000739261526 600033901 /nfs/dbraw/zinc/03/39/01/600033901.db2.gz UMORRWLOFQFYPO-UHFFFAOYSA-N -1 0 349.180 3.686 20 0 EHADRM CCC(CC)c1nnc(NC(=O)CCc2ccc(C(=O)[O-])cc2)s1 ZINC000736903687 600034486 /nfs/dbraw/zinc/03/44/86/600034486.db2.gz AWMBMUKZZGTPLM-UHFFFAOYSA-N -1 0 347.440 3.711 20 0 EHADRM CC[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc(C)cc1 ZINC000236894965 600034657 /nfs/dbraw/zinc/03/46/57/600034657.db2.gz YISZCGCWZOBTIJ-GOSISDBHSA-N -1 0 325.408 3.893 20 0 EHADRM CCc1cccc2c(CC(=O)Nc3cc(C(=O)[O-])ccc3F)c[nH]c21 ZINC000237003136 600036417 /nfs/dbraw/zinc/03/64/17/600036417.db2.gz PPDQVKRRLXULPD-UHFFFAOYSA-N -1 0 340.354 3.749 20 0 EHADRM Cc1ccccc1[C@@H](C)N(C)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000263519677 600037861 /nfs/dbraw/zinc/03/78/61/600037861.db2.gz GNFLNDDGYUZNQE-OAHLLOKOSA-N -1 0 325.408 3.845 20 0 EHADRM CC[C@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccccc1OC ZINC000736908700 600038716 /nfs/dbraw/zinc/03/87/16/600038716.db2.gz ZJCUCVFZZZUHNX-KRWDZBQOSA-N -1 0 341.407 3.594 20 0 EHADRM C[C@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc(F)c(Cl)c1 ZINC000237615921 600041350 /nfs/dbraw/zinc/04/13/50/600041350.db2.gz DXEFIDGLQYXYKO-NSHDSACASA-N -1 0 349.789 3.987 20 0 EHADRM CN(Cc1ccc(F)cc1Cl)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237097109 600044275 /nfs/dbraw/zinc/04/42/75/600044275.db2.gz YTESPPAJVNNRIM-UHFFFAOYSA-N -1 0 349.789 3.769 20 0 EHADRM CCc1cccc2c(CC(=O)Nc3cccc(F)c3C(=O)[O-])c[nH]c21 ZINC000737269486 600044761 /nfs/dbraw/zinc/04/47/61/600044761.db2.gz GNWZAFYYSPMUDC-UHFFFAOYSA-N -1 0 340.354 3.749 20 0 EHADRM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000739552617 600059246 /nfs/dbraw/zinc/05/92/46/600059246.db2.gz JFPVJJDMBCJCFS-KGLIPLIRSA-N -1 0 338.388 3.623 20 0 EHADRM CC/C(=C/C(=O)Oc1ccc(C(=O)[O-])cc1OC)c1ccccc1 ZINC000736833151 600059847 /nfs/dbraw/zinc/05/98/47/600059847.db2.gz AIJYLKRPJANSKX-SEYXRHQNSA-N -1 0 326.348 3.792 20 0 EHADRM CC[C@@H](CC(=O)NCc1ccc(OC)c(C(=O)[O-])c1)c1ccccc1 ZINC000236926103 600061506 /nfs/dbraw/zinc/06/15/06/600061506.db2.gz FBURACCFEYPLNW-HNNXBMFYSA-N -1 0 341.407 3.594 20 0 EHADRM O=C([O-])C1CCC(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 ZINC000238008177 600074006 /nfs/dbraw/zinc/07/40/06/600074006.db2.gz FNMUZUZDOYLJRW-UHFFFAOYSA-N -1 0 349.858 3.911 20 0 EHADRM Cc1ccc(NC(=O)COc2ccc(Cl)cc2C(=O)[O-])c(C)c1 ZINC000013083515 600081190 /nfs/dbraw/zinc/08/11/90/600081190.db2.gz WESRFWRVZSNCKV-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM Cc1ccc(-c2nc(CN3Cc4ccc(C(=O)[O-])cc4C3)co2)cc1 ZINC000326974503 600084914 /nfs/dbraw/zinc/08/49/14/600084914.db2.gz NFAHVVVJKMGPKM-UHFFFAOYSA-N -1 0 334.375 3.864 20 0 EHADRM CCO[C@H](C(=O)Nc1ccc(F)c(NC(=O)[O-])c1)c1ccccc1 ZINC000737157671 600086051 /nfs/dbraw/zinc/08/60/51/600086051.db2.gz UMBUICYFHPFKHO-HNNXBMFYSA-N -1 0 332.331 3.632 20 0 EHADRM CCCOc1cccc(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000737034153 600086917 /nfs/dbraw/zinc/08/69/17/600086917.db2.gz CSNWGBAEVVGDNN-UHFFFAOYSA-N -1 0 332.331 3.957 20 0 EHADRM CCc1c(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)[nH]c(C)c1C(C)=O ZINC000737251083 600087377 /nfs/dbraw/zinc/08/73/77/600087377.db2.gz OOGYIGHKJPONCW-UHFFFAOYSA-N -1 0 347.346 3.569 20 0 EHADRM Cc1cc2ccccc2n1CC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000738480132 600089071 /nfs/dbraw/zinc/08/90/71/600089071.db2.gz YFOGIAJNSQPWEY-UHFFFAOYSA-N -1 0 341.342 3.817 20 0 EHADRM Cc1oc(-c2ccccc2)nc1CN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000738957666 600089681 /nfs/dbraw/zinc/08/96/81/600089681.db2.gz XQRZOOLPZZUKOF-UHFFFAOYSA-N -1 0 334.375 3.864 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)CCc2c[nH]c3ccccc23)ccc1F ZINC000740007693 600090226 /nfs/dbraw/zinc/09/02/26/600090226.db2.gz ZNYSWKHXTBWPPR-UHFFFAOYSA-N -1 0 341.342 3.968 20 0 EHADRM CCc1[nH]c(C(=O)NC(C)(C)c2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC000737242778 600091696 /nfs/dbraw/zinc/09/16/96/600091696.db2.gz WBNPVCGBXRAYPG-UHFFFAOYSA-N -1 0 348.830 3.902 20 0 EHADRM Cc1cc(C(=O)OCc2ccc(F)cc2C(=O)[O-])c2ccccc2n1 ZINC000738351851 600111105 /nfs/dbraw/zinc/11/11/05/600111105.db2.gz MYCPPLXJJHMYAT-UHFFFAOYSA-N -1 0 339.322 3.738 20 0 EHADRM Cc1ccc2cc(C(=O)OCc3ccc(F)cc3C(=O)[O-])[nH]c2c1 ZINC000738675778 600111197 /nfs/dbraw/zinc/11/11/97/600111197.db2.gz RGTNCDHIDMPGFS-UHFFFAOYSA-N -1 0 327.311 3.671 20 0 EHADRM COc1cccc([C@@H]2C[C@H]2c2nc(-c3ccc(C(=O)[O-])cc3)no2)c1 ZINC000738096006 600114763 /nfs/dbraw/zinc/11/47/63/600114763.db2.gz LMSMCYKXRGEQBB-JKSUJKDBSA-N -1 0 336.347 3.715 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000740079272 600115334 /nfs/dbraw/zinc/11/53/34/600115334.db2.gz NNLZLXWMZIAKHZ-MWLCHTKSSA-N -1 0 348.292 3.936 20 0 EHADRM Cc1cc(NC(=O)N[C@H]2CCc3ccc(F)cc32)ccc1C(=O)[O-] ZINC000738439500 600116369 /nfs/dbraw/zinc/11/63/69/600116369.db2.gz CTILCWIFVGOMHF-INIZCTEOSA-N -1 0 328.343 3.641 20 0 EHADRM CC(C)N(Cc1ccc(F)cc1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000736470918 600120475 /nfs/dbraw/zinc/12/04/75/600120475.db2.gz CDJRBUHEWQXSRB-UHFFFAOYSA-N -1 0 330.359 3.966 20 0 EHADRM CCCCCOc1ccc(C(=O)Nc2cc(C)[nH]c2C(=O)[O-])cc1 ZINC000736990922 600122966 /nfs/dbraw/zinc/12/29/66/600122966.db2.gz ZEVBVRMUIGFYNG-UHFFFAOYSA-N -1 0 330.384 3.843 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)Cc2cccc3cccnc32)ccc1F ZINC000740005675 600122989 /nfs/dbraw/zinc/12/29/89/600122989.db2.gz OQQNEYSHTVWMOZ-UHFFFAOYSA-N -1 0 339.326 3.645 20 0 EHADRM C[C@H](CNC(=O)Nc1cccc(CSCCC(=O)[O-])c1)C1CC1 ZINC000736598181 600123584 /nfs/dbraw/zinc/12/35/84/600123584.db2.gz JALCPSQWGRINNX-GFCCVEGCSA-N -1 0 336.457 3.562 20 0 EHADRM Cc1cc(NC(=O)[C@H](C)Oc2cccc(C(C)(C)C)c2)c(C(=O)[O-])[nH]1 ZINC000738418652 600124549 /nfs/dbraw/zinc/12/45/49/600124549.db2.gz QLDNZIMLUCELTJ-LBPRGKRZSA-N -1 0 344.411 3.725 20 0 EHADRM COc1ccc(S[C@@H](C)C(=O)Oc2ccc(C)cc2C(=O)[O-])cc1 ZINC000738069661 600132245 /nfs/dbraw/zinc/13/22/45/600132245.db2.gz QRPIZUMRZIRDSV-LBPRGKRZSA-N -1 0 346.404 3.788 20 0 EHADRM Cc1ccc(OC(=O)c2cc(Cl)c(Cl)n2C)c(C(=O)[O-])c1 ZINC000738637498 600133228 /nfs/dbraw/zinc/13/32/28/600133228.db2.gz HRZOZGXJOKINDT-UHFFFAOYSA-N -1 0 328.151 3.558 20 0 EHADRM CN(Cc1ccc(F)cc1Cl)Cc1ccc(F)cc1C(=O)[O-] ZINC000737475950 600138051 /nfs/dbraw/zinc/13/80/51/600138051.db2.gz DCQVENJLDQNYPI-UHFFFAOYSA-N -1 0 325.742 3.948 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000237197715 600142613 /nfs/dbraw/zinc/14/26/13/600142613.db2.gz LHOOCYHCGOCWBK-CYBMUJFWSA-N -1 0 327.380 3.601 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)Nc1ccc(C(=O)[O-])s1 ZINC000738126404 600143924 /nfs/dbraw/zinc/14/39/24/600143924.db2.gz RRLBZBBMASVPGY-NSHDSACASA-N -1 0 333.409 3.662 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000237197627 600147648 /nfs/dbraw/zinc/14/76/48/600147648.db2.gz ZIRXYJUTTODDOG-CYBMUJFWSA-N -1 0 341.407 3.909 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)Nc1ccc(Cl)nc1)C(=O)[O-] ZINC000736715264 600153338 /nfs/dbraw/zinc/15/33/38/600153338.db2.gz BNYOPXWHNRPLFG-SECBINFHSA-N -1 0 336.800 3.553 20 0 EHADRM Cc1ccc([C@H](CNC(=O)CCc2cccc(Cl)c2)C(=O)[O-])cc1 ZINC000531751928 600158458 /nfs/dbraw/zinc/15/84/58/600158458.db2.gz YRCPFVAKWOUINX-KRWDZBQOSA-N -1 0 345.826 3.566 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)C[C@H](C)C2CCCCC2)C(=O)[O-])cc1 ZINC000486381358 600164781 /nfs/dbraw/zinc/16/47/81/600164781.db2.gz QYBFUJXQYZEDHH-MAUKXSAKSA-N -1 0 331.456 3.886 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2ccco2)c2ccccc2)s1 ZINC000740105597 600172232 /nfs/dbraw/zinc/17/22/32/600172232.db2.gz ZUAVHYDKMYEMIZ-UHFFFAOYSA-N -1 0 327.361 3.886 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)Nc2cc(C)ccc2C)C(=O)[O-])cc1 ZINC000738558192 600176341 /nfs/dbraw/zinc/17/63/41/600176341.db2.gz BWVGPAZGYFANLE-MRXNPFEDSA-N -1 0 326.396 3.602 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)Nc2ccc(C)c(C)c2)C(=O)[O-])cc1 ZINC000738562449 600176858 /nfs/dbraw/zinc/17/68/58/600176858.db2.gz VLPCDTNXNWXVOK-QGZVFWFLSA-N -1 0 326.396 3.602 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000736764482 600179466 /nfs/dbraw/zinc/17/94/66/600179466.db2.gz WZLVRPINHHTMHI-IUODEOHRSA-N -1 0 342.370 3.934 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000736762511 600183369 /nfs/dbraw/zinc/18/33/69/600183369.db2.gz RGCNPUKDJWKBII-DOMZBBRYSA-N -1 0 342.370 3.934 20 0 EHADRM CCN(C(=O)Nc1ccc(CCC(=O)[O-])cc1)[C@@H](C)c1cccnc1 ZINC000737058837 600183401 /nfs/dbraw/zinc/18/34/01/600183401.db2.gz VMCMBFAGPSXVFX-AWEZNQCLSA-N -1 0 341.411 3.714 20 0 EHADRM Cc1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1Cl ZINC000237617696 600187388 /nfs/dbraw/zinc/18/73/88/600187388.db2.gz OXGRKSZAUFXSFL-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)OCCc1cccs1)C(=O)[O-] ZINC000736716967 600190030 /nfs/dbraw/zinc/19/00/30/600190030.db2.gz MHRKQWGYHHFZML-LLVKDONJSA-N -1 0 336.434 3.713 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)Nc1nc(C)c(C(=O)[O-])s1 ZINC000736927241 600190655 /nfs/dbraw/zinc/19/06/55/600190655.db2.gz BRTSUDBQDGIHOL-NSHDSACASA-N -1 0 336.438 3.659 20 0 EHADRM Cc1nc(NC(=O)[C@H](C)CSc2ccccc2)sc1C(=O)[O-] ZINC000738361734 600191543 /nfs/dbraw/zinc/19/15/43/600191543.db2.gz GESJYGRZZNGCGD-SECBINFHSA-N -1 0 336.438 3.517 20 0 EHADRM CN(C(=O)c1[nH]c2ccccc2c1Cl)[C@H](C(=O)[O-])c1ccccc1 ZINC000737332752 600194783 /nfs/dbraw/zinc/19/47/83/600194783.db2.gz BJOBNDWUYRDBKH-INIZCTEOSA-N -1 0 342.782 3.719 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000739491050 600195391 /nfs/dbraw/zinc/19/53/91/600195391.db2.gz VIFCDVYJXVKXAW-UHFFFAOYSA-N -1 0 330.340 3.628 20 0 EHADRM Cc1ccc(SCCC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000321448077 600200737 /nfs/dbraw/zinc/20/07/37/600200737.db2.gz WXBACRLRCGVVAS-UHFFFAOYSA-N -1 0 333.384 3.953 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2nc(-c3ccccc3)cs2)c(F)c1 ZINC000740161320 600201155 /nfs/dbraw/zinc/20/11/55/600201155.db2.gz OXTMSMWHSMFTCQ-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000392180759 600201733 /nfs/dbraw/zinc/20/17/33/600201733.db2.gz ZVTIJJCDMNBUQD-UHFFFAOYSA-N -1 0 331.274 3.970 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2cc(-c3cccs3)[nH]n2)c1 ZINC000740072987 600202029 /nfs/dbraw/zinc/20/20/29/600202029.db2.gz ZRMFLOVKHPXFHN-UHFFFAOYSA-N -1 0 347.783 3.742 20 0 EHADRM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1cccc(CSCc2ccccc2)c1 ZINC000739551276 600209402 /nfs/dbraw/zinc/20/94/02/600209402.db2.gz CJWPRIXCGMGGJJ-IRXDYDNUSA-N -1 0 341.432 3.779 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1cccc(CSCc2ccccc2)c1 ZINC000739551270 600209443 /nfs/dbraw/zinc/20/94/43/600209443.db2.gz CJWPRIXCGMGGJJ-DLBZAZTESA-N -1 0 341.432 3.779 20 0 EHADRM Cc1ccc(F)c(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)c1 ZINC000738602941 600211193 /nfs/dbraw/zinc/21/11/93/600211193.db2.gz GHFNVJBAKNNELQ-UHFFFAOYSA-N -1 0 339.269 3.686 20 0 EHADRM Cc1cc(Oc2ccc(C(=O)[O-])cc2Br)nc(C2CC2)n1 ZINC000738474101 600213892 /nfs/dbraw/zinc/21/38/92/600213892.db2.gz JLWFFYXHZNJGDV-UHFFFAOYSA-N -1 0 349.184 3.915 20 0 EHADRM CC(C)(C(=O)N1C[C@H](C(=O)[O-])c2ccccc21)c1ccccc1Cl ZINC000736222743 600214928 /nfs/dbraw/zinc/21/49/28/600214928.db2.gz FSHQHUOAWUWFGA-ZDUSSCGKSA-N -1 0 343.810 3.833 20 0 EHADRM Cc1nc2ccc(NC(=O)Nc3cccc(NC(=O)[O-])c3)cc2o1 ZINC000738874922 600226665 /nfs/dbraw/zinc/22/66/65/600226665.db2.gz KXKSRVDYBFAHTG-UHFFFAOYSA-N -1 0 326.312 3.870 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)Nc2ccc3c(c2)CCCO3)c1 ZINC000740041857 600232820 /nfs/dbraw/zinc/23/28/20/600232820.db2.gz WOFKLSICJIUGCU-UHFFFAOYSA-N -1 0 327.340 3.746 20 0 EHADRM CCOc1ccccc1NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000325366416 600234367 /nfs/dbraw/zinc/23/43/67/600234367.db2.gz AXIUKFUNYQXESO-UHFFFAOYSA-N -1 0 328.368 3.747 20 0 EHADRM CC(C)[C@H](NC(=O)c1cc(-c2ccccc2)ccc1Cl)C(=O)[O-] ZINC000236768682 600246989 /nfs/dbraw/zinc/24/69/89/600246989.db2.gz ILLDJINETOXWLW-INIZCTEOSA-N -1 0 331.799 3.846 20 0 EHADRM CC(C)c1cc(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)on1 ZINC000262416533 600250127 /nfs/dbraw/zinc/25/01/27/600250127.db2.gz PGTPEVOBZUPMQG-UHFFFAOYSA-N -1 0 348.424 3.758 20 0 EHADRM CCc1ccc([C@H](C)C(=O)Oc2c(OC)cccc2C(=O)[O-])cc1 ZINC000737258171 600250647 /nfs/dbraw/zinc/25/06/47/600250647.db2.gz YWOUBELKXQMQHN-LBPRGKRZSA-N -1 0 328.364 3.665 20 0 EHADRM CN(CCCC(=O)Nc1nc2c(ccc3c2CCCC3)s1)C(=O)[O-] ZINC000737433478 600250931 /nfs/dbraw/zinc/25/09/31/600250931.db2.gz QGADDWDKFJGKRZ-UHFFFAOYSA-N -1 0 347.440 3.504 20 0 EHADRM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cccc(C(=O)[O-])c1 ZINC000237578010 600253232 /nfs/dbraw/zinc/25/32/32/600253232.db2.gz HPICNUMXBBJSPF-MLGOLLRUSA-N -1 0 327.355 3.542 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N[C@H](CC(=O)[O-])c3cccs3)cc2c1C ZINC000237858587 600254378 /nfs/dbraw/zinc/25/43/78/600254378.db2.gz BGOAVSUSWPSGID-CQSZACIVSA-N -1 0 342.420 3.792 20 0 EHADRM CC(C)(C)/C=C/C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000236738197 600257402 /nfs/dbraw/zinc/25/74/02/600257402.db2.gz ZEYODSFYNZWCFR-DOJUMQAQSA-N -1 0 339.435 3.802 20 0 EHADRM O=C([O-])Nc1ccc(Nc2nc(-c3ccccn3)nc3c2CCC3)cc1 ZINC000738668161 600260282 /nfs/dbraw/zinc/26/02/82/600260282.db2.gz WPVRQXUFFIYSSO-UHFFFAOYSA-N -1 0 347.378 3.861 20 0 EHADRM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1ccccc1C(=O)[O-] ZINC000736765040 600267312 /nfs/dbraw/zinc/26/73/12/600267312.db2.gz YAJLXYSSFKKPOK-GXTWGEPZSA-N -1 0 342.370 3.934 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)C(C)(C)c1cccc(Cl)c1 ZINC000738963937 600272369 /nfs/dbraw/zinc/27/23/69/600272369.db2.gz NODBXFPNARBLCY-UHFFFAOYSA-N -1 0 336.771 3.961 20 0 EHADRM CCc1ccc(CCNC(=O)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC000737264121 600275276 /nfs/dbraw/zinc/27/52/76/600275276.db2.gz GPGNESBIGULLOU-UHFFFAOYSA-N -1 0 326.396 3.620 20 0 EHADRM CN(Cc1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1)C(=O)[O-] ZINC000737485487 600282693 /nfs/dbraw/zinc/28/26/93/600282693.db2.gz PXYDGBRQLXMXQX-UHFFFAOYSA-N -1 0 338.407 3.928 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)/C=C\c2ccccc2Cl)cc1 ZINC000739985329 600288922 /nfs/dbraw/zinc/28/89/22/600288922.db2.gz IQLJEVHCGJFSND-YFHOEESVSA-N -1 0 330.771 3.760 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)CCc2ccccc2Cl)cc1 ZINC000739987305 600294441 /nfs/dbraw/zinc/29/44/41/600294441.db2.gz YOODILQXSYQQHT-UHFFFAOYSA-N -1 0 332.787 3.679 20 0 EHADRM Cc1nc(CC(C)C)sc1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000738852084 600295130 /nfs/dbraw/zinc/29/51/30/600295130.db2.gz SBOMYEMVRFOWII-UHFFFAOYSA-N -1 0 347.440 3.670 20 0 EHADRM Cc1ccc(C)c(OCC(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000738576898 600324332 /nfs/dbraw/zinc/32/43/32/600324332.db2.gz JIABUIRPLASUQL-KRWDZBQOSA-N -1 0 348.782 3.705 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cc(Cl)c(Cl)[nH]1)c1cccc(Cl)c1 ZINC000740289046 600324846 /nfs/dbraw/zinc/32/48/46/600324846.db2.gz CJMIZAWRFMBGSP-JTQLQIEISA-N -1 0 348.569 3.958 20 0 EHADRM O=C([O-])[C@@H](OC(=O)[C@H]1CCOc2ccccc21)c1cccc(Cl)c1 ZINC000740289830 600329894 /nfs/dbraw/zinc/32/98/94/600329894.db2.gz GUWMIBQSTKZMPY-HOCLYGCPSA-N -1 0 346.766 3.575 20 0 EHADRM CC[C@H]1CN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C[C@H](C)O1 ZINC000736944337 600331558 /nfs/dbraw/zinc/33/15/58/600331558.db2.gz SAUGFGKCOKNUCV-LRDDRELGSA-N -1 0 346.452 3.508 20 0 EHADRM CC(C)(CNC(=O)Nc1cc(C(=O)[O-])ccc1F)Cc1ccccc1 ZINC000736321452 600335258 /nfs/dbraw/zinc/33/52/58/600335258.db2.gz DCCSWAKIATVVNH-UHFFFAOYSA-N -1 0 344.386 3.914 20 0 EHADRM CCCCC1CCC(NC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)CC1 ZINC000736984083 600349372 /nfs/dbraw/zinc/34/93/72/600349372.db2.gz GHLSFWQRCAILEL-UYSNPLJNSA-N -1 0 336.476 3.632 20 0 EHADRM Cc1ccccc1[C@H](C)N(C)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000738756149 600351601 /nfs/dbraw/zinc/35/16/01/600351601.db2.gz HJYDKVWZZJZOME-AWEZNQCLSA-N -1 0 341.411 3.988 20 0 EHADRM C[C@@H]1CCC[C@@H](CCNC(=O)Nc2ccc(CNC(=O)[O-])cc2)C1 ZINC000736774160 600353586 /nfs/dbraw/zinc/35/35/86/600353586.db2.gz GTJHFPWJMIPOJG-KGLIPLIRSA-N -1 0 333.432 3.792 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC000739987452 600355986 /nfs/dbraw/zinc/35/59/86/600355986.db2.gz AQLHLHWXAKTNDJ-YQQAZPJKSA-N -1 0 345.443 3.935 20 0 EHADRM C[C@@H](SCC(=O)N(C)c1ccccc1C(=O)[O-])c1cccs1 ZINC000736709064 600362656 /nfs/dbraw/zinc/36/26/56/600362656.db2.gz NFBUQJCATHXVBJ-LLVKDONJSA-N -1 0 335.450 3.904 20 0 EHADRM COc1cccc2cc(C(=O)Nc3cc(C)c(C(=O)[O-])s3)oc21 ZINC000738113660 600370713 /nfs/dbraw/zinc/37/07/13/600370713.db2.gz ISQJNMNEGGQEKR-UHFFFAOYSA-N -1 0 331.349 3.762 20 0 EHADRM Cc1oc(-c2ccccc2F)nc1C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000738956252 600372934 /nfs/dbraw/zinc/37/29/34/600372934.db2.gz PWFOTHVJHJGNDU-UHFFFAOYSA-N -1 0 346.339 3.801 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CC/C=C/c1ccccc1)c1cccs1 ZINC000238203501 600373958 /nfs/dbraw/zinc/37/39/58/600373958.db2.gz MUWADLLLTBQXRK-ULYATVDSSA-N -1 0 329.421 3.874 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000736625205 600377302 /nfs/dbraw/zinc/37/73/02/600377302.db2.gz DLVBRRAZQVZYBW-GFCCVEGCSA-N -1 0 330.359 3.757 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H](C)c2ccsc2)cc1 ZINC000262125595 600377681 /nfs/dbraw/zinc/37/76/81/600377681.db2.gz JHWQVFLDZOJLIW-IAQYHMDHSA-N -1 0 349.477 3.906 20 0 EHADRM Cc1cc(NC(=O)Cc2csc(-c3ccoc3)n2)ccc1C(=O)[O-] ZINC000237810095 600378056 /nfs/dbraw/zinc/37/80/56/600378056.db2.gz MHUGPGIULOWNTG-UHFFFAOYSA-N -1 0 342.376 3.591 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@H]1Cc2ccccc2S1)c1ccccc1 ZINC000736850194 600378768 /nfs/dbraw/zinc/37/87/68/600378768.db2.gz VANLXTMZUCHVMX-NVXWUHKLSA-N -1 0 341.432 3.600 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)CCc1ccc(OC)cc1)c1ccccc1 ZINC000736853906 600379619 /nfs/dbraw/zinc/37/96/19/600379619.db2.gz VQMZLSXEUKLCBB-SFHVURJKSA-N -1 0 341.407 3.524 20 0 EHADRM C[C@@H](CN(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccccc1 ZINC000736569040 600383057 /nfs/dbraw/zinc/38/30/57/600383057.db2.gz JJWMGGCLQACXEZ-LBPRGKRZSA-N -1 0 330.359 3.791 20 0 EHADRM CCCOc1ccc(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000737031139 600383173 /nfs/dbraw/zinc/38/31/73/600383173.db2.gz HUNWLOKDGGPUIY-UHFFFAOYSA-N -1 0 346.358 3.634 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)c1cc2cc(F)ccc2o1)c1ccccc1 ZINC000139417006 600383723 /nfs/dbraw/zinc/38/37/23/600383723.db2.gz PTTICJVFXTZOJM-HNNXBMFYSA-N -1 0 341.338 3.908 20 0 EHADRM CCc1nc(C)c(C(=O)N(c2ccccc2)[C@H](CC)C(=O)[O-])s1 ZINC000737277461 600386151 /nfs/dbraw/zinc/38/61/51/600386151.db2.gz WOGBXNOIAQKTKG-CYBMUJFWSA-N -1 0 332.425 3.524 20 0 EHADRM CN(C(=O)Nc1ccc(F)c(C(=O)[O-])c1)[C@H]1CCc2ccccc21 ZINC000737328894 600388729 /nfs/dbraw/zinc/38/87/29/600388729.db2.gz KWNYCJFYVPLWJV-INIZCTEOSA-N -1 0 328.343 3.675 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(C(=O)[O-])s1)c1ccc(F)cc1F ZINC000236962992 600389474 /nfs/dbraw/zinc/38/94/74/600389474.db2.gz YQPZOIFVKOOJNI-LLVKDONJSA-N -1 0 325.336 3.606 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000738662829 600391062 /nfs/dbraw/zinc/39/10/62/600391062.db2.gz WVKPYAUJXRSIHM-MRXNPFEDSA-N -1 0 342.420 3.707 20 0 EHADRM CSCCCC(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000237497094 600391223 /nfs/dbraw/zinc/39/12/23/600391223.db2.gz GQHDHYSKCHSGJM-OAHLLOKOSA-N -1 0 337.485 3.759 20 0 EHADRM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736824779 600393318 /nfs/dbraw/zinc/39/33/18/600393318.db2.gz IIGDPUVGMJJFJV-QLJPJBMISA-N -1 0 343.358 3.971 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NC2CCC(C(F)(F)F)CC2)c(F)c1 ZINC000739467448 600397991 /nfs/dbraw/zinc/39/79/91/600397991.db2.gz VVMQBMHISMRONK-UHFFFAOYSA-N -1 0 348.296 3.767 20 0 EHADRM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC(C)(C)CCC(=O)[O-] ZINC000237490067 600399137 /nfs/dbraw/zinc/39/91/37/600399137.db2.gz ZBUPONOFMAXPEO-LLVKDONJSA-N -1 0 345.361 3.644 20 0 EHADRM CC[C@H](CC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccc(C)cc1 ZINC000262505170 600400040 /nfs/dbraw/zinc/40/00/40/600400040.db2.gz ZGUMKNWWEHRHLN-WBVHZDCISA-N -1 0 329.440 3.592 20 0 EHADRM CCOc1ccccc1CN(C)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000737211773 600402073 /nfs/dbraw/zinc/40/20/73/600402073.db2.gz RLPBGGKRBIAYKH-UHFFFAOYSA-N -1 0 346.358 3.587 20 0 EHADRM COc1ccc(Cl)cc1N(C)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000738013932 600411511 /nfs/dbraw/zinc/41/15/11/600411511.db2.gz PLBXVPSJCXKCBD-UHFFFAOYSA-N -1 0 347.798 3.642 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000486404369 600413953 /nfs/dbraw/zinc/41/39/53/600413953.db2.gz LUQYNPQPLGZQMA-FUHWJXTLSA-N -1 0 331.456 3.886 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(Nc3ccccc3)c2)nc1 ZINC000190616957 600414483 /nfs/dbraw/zinc/41/44/83/600414483.db2.gz IDTUXZTZAIOFMC-UHFFFAOYSA-N -1 0 333.347 3.776 20 0 EHADRM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)c2cccc(C(=O)[O-])n2)cc1 ZINC000439797090 600415260 /nfs/dbraw/zinc/41/52/60/600415260.db2.gz ZYKOEDURUIBSNX-KDOFPFPSSA-N -1 0 338.407 3.702 20 0 EHADRM O=C([O-])c1cn(CC(=O)N2CCC3(CCCC3)CC2)c2ccccc12 ZINC000740252205 600417525 /nfs/dbraw/zinc/41/75/25/600417525.db2.gz LLOONGZZYRVIPF-UHFFFAOYSA-N -1 0 340.423 3.522 20 0 EHADRM O=C([O-])[C@H](N[C@@H](c1ccco1)c1ccccc1)c1ccc(F)cc1 ZINC000739501391 600419936 /nfs/dbraw/zinc/41/99/36/600419936.db2.gz HBJOVEPVHNZGPF-QZTJIDSGSA-N -1 0 325.339 3.924 20 0 EHADRM O=C([O-])[C@@H](Nc1cccc(N2CCOC2=O)c1)c1cccc(Cl)c1 ZINC000739510856 600422178 /nfs/dbraw/zinc/42/21/78/600422178.db2.gz AGNRMGAOSGXTGM-HNNXBMFYSA-N -1 0 346.770 3.534 20 0 EHADRM C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000139252195 600426685 /nfs/dbraw/zinc/42/66/85/600426685.db2.gz VJAZQDAQFLAJEA-YJBOKZPZSA-N -1 0 325.408 3.588 20 0 EHADRM Cc1nc(-c2cccs2)sc1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC000321880419 600430844 /nfs/dbraw/zinc/43/08/44/600430844.db2.gz QBFSWAKTPXGWSD-UHFFFAOYSA-N -1 0 345.405 3.526 20 0 EHADRM Cc1ccc2c(c1C)OC[C@H]2N[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000738674857 600434570 /nfs/dbraw/zinc/43/45/70/600434570.db2.gz CJERGRLSNYWJCC-HZPDHXFCSA-N -1 0 331.799 3.806 20 0 EHADRM CCS[C@H]1CCCCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000737229344 600437931 /nfs/dbraw/zinc/43/79/31/600437931.db2.gz JEPYTKDFSPQDQD-LBPRGKRZSA-N -1 0 340.420 3.663 20 0 EHADRM CCS[C@H]1CCCCN(C(=O)Nc2cccc(NC(=O)[O-])c2)C1 ZINC000737230548 600437987 /nfs/dbraw/zinc/43/79/87/600437987.db2.gz SEQCBAJBYHXOQS-AWEZNQCLSA-N -1 0 337.445 3.916 20 0 EHADRM Cc1[nH]c2ccc(C(=O)O[C@@H](C(=O)[O-])c3ccc(F)cc3)cc2c1C ZINC000738246861 600443761 /nfs/dbraw/zinc/44/37/61/600443761.db2.gz OWMLDTPNPWAXHB-QGZVFWFLSA-N -1 0 341.338 3.907 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000740288511 600444513 /nfs/dbraw/zinc/44/45/13/600444513.db2.gz BJGXHCBONUQQCT-CYBMUJFWSA-N -1 0 326.682 3.601 20 0 EHADRM O=C([O-])[C@H](OC(=O)CCc1cccc(Cl)c1)c1ccc(F)cc1 ZINC000739260799 600449786 /nfs/dbraw/zinc/44/97/86/600449786.db2.gz MSAAQDNSFKFWSQ-MRXNPFEDSA-N -1 0 336.746 3.781 20 0 EHADRM Cc1cccc(C)c1OCCC(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738688496 600450465 /nfs/dbraw/zinc/45/04/65/600450465.db2.gz JCWFOCRNLFDYSG-GOSISDBHSA-N -1 0 346.354 3.581 20 0 EHADRM C[C@]1(C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)CCCc2ccccc21 ZINC000736728157 600454714 /nfs/dbraw/zinc/45/47/14/600454714.db2.gz JMJIFRSRLDDZEM-XLIONFOSSA-N -1 0 342.366 3.789 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)OCc2cccc(C(=O)[O-])c2)s1 ZINC000738465155 600454798 /nfs/dbraw/zinc/45/47/98/600454798.db2.gz PATBPPLBYVGLOU-UHFFFAOYSA-N -1 0 342.319 3.713 20 0 EHADRM C/C(=C/C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1)c1cccc(F)c1 ZINC000736120341 600456396 /nfs/dbraw/zinc/45/63/96/600456396.db2.gz GVCFZNXAJCSFHQ-CCCPALQASA-N -1 0 332.302 3.737 20 0 EHADRM Cc1[nH]c(C(=O)[C@@H](C)OC(=O)/C=C/C2CCCCC2)c(C)c1C(=O)[O-] ZINC000738236848 600458320 /nfs/dbraw/zinc/45/83/20/600458320.db2.gz PUONBCKNDYIOFJ-WTNCMQEWSA-N -1 0 347.411 3.581 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)Nc1nc(CC(=O)[O-])cs1)C(C)C ZINC000738322845 600465879 /nfs/dbraw/zinc/46/58/79/600465879.db2.gz XFJAAVZWJSPRFU-HNNXBMFYSA-N -1 0 347.440 3.597 20 0 EHADRM C[C@H](OC(=O)Cc1csc(-c2ccoc2)n1)c1ccc(C(=O)[O-])o1 ZINC000736694482 600469614 /nfs/dbraw/zinc/46/96/14/600469614.db2.gz VTSHJZZTTKUKIG-VIFPVBQESA-N -1 0 347.348 3.541 20 0 EHADRM CCc1ccc(NC(=O)NCCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000737266077 600471922 /nfs/dbraw/zinc/47/19/22/600471922.db2.gz HEYOOMNQJZNIMG-UHFFFAOYSA-N -1 0 327.384 3.703 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC000740023444 600472659 /nfs/dbraw/zinc/47/26/59/600472659.db2.gz MNMIMIDLDPBNPV-UHFFFAOYSA-N -1 0 339.395 3.629 20 0 EHADRM O=C([O-])c1cccc(CS[C@@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000740224901 600473295 /nfs/dbraw/zinc/47/32/95/600473295.db2.gz GBHZBWBCEYWNCD-MRXNPFEDSA-N -1 0 345.395 3.563 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)Nc2cc(C(=O)[O-])ccc2F)s1 ZINC000321307955 600475069 /nfs/dbraw/zinc/47/50/69/600475069.db2.gz AZSZQOBARDLYQJ-VIFPVBQESA-N -1 0 336.388 3.647 20 0 EHADRM Cc1c(NC(=O)N2CCc3cc(F)ccc3[C@@H]2C)cccc1C(=O)[O-] ZINC000738303225 600475982 /nfs/dbraw/zinc/47/59/82/600475982.db2.gz FYWUHAPZCVVIEE-LBPRGKRZSA-N -1 0 342.370 3.984 20 0 EHADRM COc1ccc([C@H](C)C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000237234573 600477054 /nfs/dbraw/zinc/47/70/54/600477054.db2.gz JODZAOZBAUHPSM-JTQLQIEISA-N -1 0 333.771 3.789 20 0 EHADRM C[C@H]1SCCN(C(=O)c2cccc(C(=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000237602055 600481207 /nfs/dbraw/zinc/48/12/07/600481207.db2.gz DYXDDJLHTBZCCQ-DYVFJYSZSA-N -1 0 341.432 3.704 20 0 EHADRM Cc1ccccc1[C@H](CC(C)C)NC(=O)c1ccc(C(=O)[O-])cn1 ZINC000738758369 600483461 /nfs/dbraw/zinc/48/34/61/600483461.db2.gz NQOZCTPLZGLBLY-KRWDZBQOSA-N -1 0 326.396 3.605 20 0 EHADRM Cc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000738768537 600498022 /nfs/dbraw/zinc/49/80/22/600498022.db2.gz PCSRWGJOWWJTEP-AWEZNQCLSA-N -1 0 329.421 3.602 20 0 EHADRM CC(C)CN(CC(C)C)C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736438023 600498222 /nfs/dbraw/zinc/49/82/22/600498222.db2.gz PMERVBBHCFMODL-UHFFFAOYSA-N -1 0 335.448 3.643 20 0 EHADRM Cc1ccc([C@@H](C)CNC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000738551632 600501287 /nfs/dbraw/zinc/50/12/87/600501287.db2.gz LXXXBFREKANTCH-HNNXBMFYSA-N -1 0 340.423 3.638 20 0 EHADRM CCOc1ccc(NCc2cc(C)c(OCC(=O)[O-])c(C)c2)cc1 ZINC000737202282 600503863 /nfs/dbraw/zinc/50/38/63/600503863.db2.gz AEJXQUIKILOJOZ-UHFFFAOYSA-N -1 0 329.396 3.778 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCCCOC2CCCC2)cc1Cl ZINC000739417226 600515843 /nfs/dbraw/zinc/51/58/43/600515843.db2.gz VJGZBGSVSMPKGM-UHFFFAOYSA-N -1 0 340.807 3.509 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCc2cc(F)ccc2F)cc1Cl ZINC000320824788 600516146 /nfs/dbraw/zinc/51/61/46/600516146.db2.gz MRWZNJVIEFBBRI-UHFFFAOYSA-N -1 0 340.713 3.638 20 0 EHADRM Cc1cccc([C@H](C)C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000362437001 600524982 /nfs/dbraw/zinc/52/49/82/600524982.db2.gz MUUFRWMRIZOPEE-SUMWQHHRSA-N -1 0 329.371 3.570 20 0 EHADRM Cc1cccc([C@H](C)C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])c1 ZINC000237400957 600525881 /nfs/dbraw/zinc/52/58/81/600525881.db2.gz XVIRCTBNXXHKNC-SJORKVTESA-N -1 0 339.435 3.848 20 0 EHADRM Cc1cccc(N(CC(=O)[O-])C(=O)c2ccc(-c3ccccc3)cc2)n1 ZINC000738723194 600526467 /nfs/dbraw/zinc/52/64/67/600526467.db2.gz QHTKICULVRCRIM-UHFFFAOYSA-N -1 0 346.386 3.788 20 0 EHADRM CC[C@](NC(=O)[C@H](C)c1cccc(C)c1)(C(=O)[O-])c1ccccc1 ZINC000485371340 600527116 /nfs/dbraw/zinc/52/71/16/600527116.db2.gz GHKYWFLLYANWSZ-FOIQADDNSA-N -1 0 325.408 3.605 20 0 EHADRM Cc1cccc([C@@H](C)C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)c1 ZINC000738690366 600528047 /nfs/dbraw/zinc/52/80/47/600528047.db2.gz IHYCTTJFFKJTLR-CQSZACIVSA-N -1 0 326.396 3.847 20 0 EHADRM CCN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccccc1C(=O)[O-] ZINC000737052548 600532107 /nfs/dbraw/zinc/53/21/07/600532107.db2.gz KTFMRKFLADUSKT-JKSUJKDBSA-N -1 0 327.355 3.681 20 0 EHADRM C[C@@H]1CCC[C@@H](OCC(=O)Oc2ccc(Cl)cc2C(=O)[O-])C1 ZINC000736781869 600534287 /nfs/dbraw/zinc/53/42/87/600534287.db2.gz SQBCATYXGMUJMJ-ZYHUDNBSSA-N -1 0 326.776 3.539 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N[C@H]1CC[C@@H](C)C[C@@H]1C)C(=O)[O-] ZINC000736769736 600564545 /nfs/dbraw/zinc/56/45/45/600564545.db2.gz XLGQWOGKXRTALY-COMQUAJESA-N -1 0 335.469 3.806 20 0 EHADRM CC(C)Oc1ccc(CCNC(=O)c2ccccc2NC(=O)[O-])cc1 ZINC000736490670 600569227 /nfs/dbraw/zinc/56/92/27/600569227.db2.gz BGTDQLVNUHZKFR-UHFFFAOYSA-N -1 0 342.395 3.536 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)NCCc1csc2ccccc12 ZINC000740044953 600572334 /nfs/dbraw/zinc/57/23/34/600572334.db2.gz DGEQSYUAWMXGES-UHFFFAOYSA-N -1 0 340.404 3.964 20 0 EHADRM CC(C)C[C@H](OC(=O)[C@H](C)Sc1ccccc1Cl)C(=O)[O-] ZINC000736428861 600574769 /nfs/dbraw/zinc/57/47/69/600574769.db2.gz WGWCZPORSIQCSW-JQWIXIFHSA-N -1 0 330.833 3.863 20 0 EHADRM CC(C)(C(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1cccc(F)c1 ZINC000736224138 600584255 /nfs/dbraw/zinc/58/42/55/600584255.db2.gz WNNGTWYMCXPSAT-UHFFFAOYSA-N -1 0 337.297 3.718 20 0 EHADRM Cc1cc(NC(=O)Cc2cc(-c3ccccc3)on2)ccc1C(=O)[O-] ZINC000237808991 600586066 /nfs/dbraw/zinc/58/60/66/600586066.db2.gz FVGVEELJQPMSGX-UHFFFAOYSA-N -1 0 336.347 3.529 20 0 EHADRM Cc1cc(C(=O)CS[C@@H](C)CC(=O)[O-])c(C)n1Cc1ccco1 ZINC000738203291 600589645 /nfs/dbraw/zinc/58/96/45/600589645.db2.gz LOXMGUUALGBXPZ-LBPRGKRZSA-N -1 0 335.425 3.525 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000736708563 600589833 /nfs/dbraw/zinc/58/98/33/600589833.db2.gz JEGIMCYYMJXQFC-PBHICJAKSA-N -1 0 343.448 3.593 20 0 EHADRM C[C@H](CSC[C@@H](O)COc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000736614170 600598775 /nfs/dbraw/zinc/59/87/75/600598775.db2.gz TWTGBHOCQWAEAE-PBHICJAKSA-N -1 0 346.448 3.547 20 0 EHADRM CC1(C(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])CCCC1 ZINC000486393271 600603587 /nfs/dbraw/zinc/60/35/87/600603587.db2.gz JJOPZJLEWNEWMS-SFHVURJKSA-N -1 0 339.435 3.780 20 0 EHADRM CC(C)[C@@H](SC[C@@H](C)C(=O)[O-])C(=O)Nc1ccc2c(c1)CCC2 ZINC000736606797 600604650 /nfs/dbraw/zinc/60/46/50/600604650.db2.gz IMCNJGFSYAYBQM-MLGOLLRUSA-N -1 0 335.469 3.592 20 0 EHADRM O=C([O-])CN(C(=O)Cc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000314441343 600605102 /nfs/dbraw/zinc/60/51/02/600605102.db2.gz HYPYBKVYERTKAR-UHFFFAOYSA-N -1 0 338.190 3.654 20 0 EHADRM O=C([O-])CN(C(=O)CCSc1ccc(Cl)cc1)c1ccccc1 ZINC000319930229 600605342 /nfs/dbraw/zinc/60/53/42/600605342.db2.gz FQQHHAZENBOFDT-UHFFFAOYSA-N -1 0 349.839 3.940 20 0 EHADRM O=C([O-])CN(C(=O)Cc1coc2cc3c(cc12)CCC3)c1ccccc1 ZINC000337734525 600605458 /nfs/dbraw/zinc/60/54/58/600605458.db2.gz HOWOQJVEEABLLJ-UHFFFAOYSA-N -1 0 349.386 3.582 20 0 EHADRM CCN(C(=O)CSC[C@@H](C)C(=O)[O-])c1cccc2ccccc21 ZINC000737060759 600607040 /nfs/dbraw/zinc/60/70/40/600607040.db2.gz SNFHXRFDGIZJKP-CYBMUJFWSA-N -1 0 331.437 3.647 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)C[C@H]1CCc2ccccc21)c1ccccc1 ZINC000139391671 600609108 /nfs/dbraw/zinc/60/91/08/600609108.db2.gz WUBCDYXMROWAQX-IEBWSBKVSA-N -1 0 337.419 3.829 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)C[C@@H]1CCc2ccccc21)c1ccccc1 ZINC000139391478 600609120 /nfs/dbraw/zinc/60/91/20/600609120.db2.gz WUBCDYXMROWAQX-PKOBYXMFSA-N -1 0 337.419 3.829 20 0 EHADRM CC(C)CC[C@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)C(C)(C)C ZINC000736428331 600610176 /nfs/dbraw/zinc/61/01/76/600610176.db2.gz ZSWYIKDIRGPCSS-INIZCTEOSA-N -1 0 335.444 3.731 20 0 EHADRM O=C([O-])[C@H](CNc1ccnc(C2CC2)n1)Cc1cccc2ccccc21 ZINC000739503651 600611865 /nfs/dbraw/zinc/61/18/65/600611865.db2.gz VANIRKWJGKLTJQ-KRWDZBQOSA-N -1 0 347.418 3.863 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2ccccc2N2CCCCC2)c1 ZINC000740141011 600616673 /nfs/dbraw/zinc/61/66/73/600616673.db2.gz VIFPNSJQVZOMCE-UHFFFAOYSA-N -1 0 342.370 3.767 20 0 EHADRM C[C@H](C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-])C(C)(C)C ZINC000439893696 600617738 /nfs/dbraw/zinc/61/77/38/600617738.db2.gz MBMUSNJCXJRAFK-RHSMWYFYSA-N -1 0 341.451 3.882 20 0 EHADRM Cc1cc2occ(CC(=O)N[C@@](C)(C(=O)[O-])C3CC3)c2cc1C(C)C ZINC000236701458 600618585 /nfs/dbraw/zinc/61/85/85/600618585.db2.gz LHQVATJIIMQZPR-HXUWFJFHSA-N -1 0 343.423 3.777 20 0 EHADRM Cc1c(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)oc2c1C(=O)CCC2 ZINC000178257286 600619389 /nfs/dbraw/zinc/61/93/89/600619389.db2.gz YIGPEXAPMJOYSB-UHFFFAOYSA-N -1 0 347.754 3.711 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2ccc(OC(F)F)cc2)c1 ZINC000322708129 600619415 /nfs/dbraw/zinc/61/94/15/600619415.db2.gz NPRDEHMRVFKTOK-UHFFFAOYSA-N -1 0 341.697 3.892 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2cc(=O)[nH]c3ccccc32)c1 ZINC000325609877 600620681 /nfs/dbraw/zinc/62/06/81/600620681.db2.gz HQPSWXYTARIHHX-UHFFFAOYSA-N -1 0 342.738 3.544 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2coc(Br)c2)c1 ZINC000178251307 600622890 /nfs/dbraw/zinc/62/28/90/600622890.db2.gz WDBIGZIAVXSFIO-UHFFFAOYSA-N -1 0 344.548 3.646 20 0 EHADRM Cc1c(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cnn1C(C)(C)C ZINC000181868623 600622934 /nfs/dbraw/zinc/62/29/34/600622934.db2.gz KMSBNRWGVCFNNA-UHFFFAOYSA-N -1 0 335.791 3.550 20 0 EHADRM CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)CCCN(C)C(=O)[O-] ZINC000736391657 600623019 /nfs/dbraw/zinc/62/30/19/600623019.db2.gz PLMMYEUYYDKQJX-MRXNPFEDSA-N -1 0 340.851 3.886 20 0 EHADRM O=C([O-])[C@H](NCc1coc(-c2cccc(Cl)c2)n1)c1ccccc1 ZINC000324249220 600626088 /nfs/dbraw/zinc/62/60/88/600626088.db2.gz CWQKILIPORKIGY-MRXNPFEDSA-N -1 0 342.782 3.911 20 0 EHADRM Cc1cc(OCC(=O)Nc2cccc(C(C)C)c2)c(C(=O)[O-])s1 ZINC000389928843 600638948 /nfs/dbraw/zinc/63/89/48/600638948.db2.gz ILRLDNTVYBQDGH-UHFFFAOYSA-N -1 0 333.409 3.896 20 0 EHADRM CCCCC[C@@H](NC(=O)Nc1nc(CC(=O)[O-])cs1)C(C)(C)C ZINC000736984927 600641612 /nfs/dbraw/zinc/64/16/12/600641612.db2.gz QMRZUVCIUZPJBL-GFCCVEGCSA-N -1 0 341.477 3.887 20 0 EHADRM Cn1c2ccccc2c2cc(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)sc21 ZINC000739013332 600641973 /nfs/dbraw/zinc/64/19/73/600641973.db2.gz FISZMILYTNXPEV-CQSZACIVSA-N -1 0 344.436 3.622 20 0 EHADRM CCN(C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccccc1C(=O)[O-] ZINC000737052644 600647290 /nfs/dbraw/zinc/64/72/90/600647290.db2.gz MSMVYIJELDJHPD-UONOGXRCSA-N -1 0 345.345 3.820 20 0 EHADRM CCN(C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)c1ccccc1C(=O)[O-] ZINC000737053729 600647592 /nfs/dbraw/zinc/64/75/92/600647592.db2.gz WQZZXCFPCMNJEX-CHWSQXEVSA-N -1 0 345.345 3.820 20 0 EHADRM COc1ccc(CCCC(=O)O[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000832299941 600654167 /nfs/dbraw/zinc/65/41/67/600654167.db2.gz RAJZUXUOIPKRDU-SFHVURJKSA-N -1 0 346.354 3.526 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2cccc(OC3CCCC3)c2)C1 ZINC000179967085 600654585 /nfs/dbraw/zinc/65/45/85/600654585.db2.gz BXUOYSGBCALEQR-KBPBESRZSA-N -1 0 331.412 3.838 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccc3oc(C4CC4)nc3c2)C1 ZINC000179964706 600655077 /nfs/dbraw/zinc/65/50/77/600655077.db2.gz INYXRBAEOJYRRH-RYUDHWBXSA-N -1 0 328.368 3.535 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000245715347 600657352 /nfs/dbraw/zinc/65/73/52/600657352.db2.gz NYXJNGFCSRYOGT-NFAWXSAZSA-N -1 0 333.428 3.609 20 0 EHADRM CC(C)c1ccc([C@H]2C[C@H]2C(=O)Nc2nc(CC(=O)[O-])cs2)cc1 ZINC000236848671 600661238 /nfs/dbraw/zinc/66/12/38/600661238.db2.gz JYFNKZGVWUXPPI-HUUCEWRRSA-N -1 0 344.436 3.636 20 0 EHADRM CC(C)(CNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000179984018 600662160 /nfs/dbraw/zinc/66/21/60/600662160.db2.gz DZBYNCCVYZMIJU-CHWSQXEVSA-N -1 0 337.847 3.625 20 0 EHADRM CSc1ccc(O[C@@H](C)C(=O)Nc2cccc(F)c2C(=O)[O-])cc1 ZINC000738213439 600662520 /nfs/dbraw/zinc/66/25/20/600662520.db2.gz XAJORJAXTYPPAH-JTQLQIEISA-N -1 0 349.383 3.652 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H](c3ccccc3)CC2)C1 ZINC000245668106 600665841 /nfs/dbraw/zinc/66/58/41/600665841.db2.gz GXYWTNVGYUBCHP-FGTMMUONSA-N -1 0 329.440 3.674 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccc(-c2ccccc2)[nH]1)c1ccccc1F ZINC000833351934 600667348 /nfs/dbraw/zinc/66/73/48/600667348.db2.gz QTUKPAMLOSLFQB-QGZVFWFLSA-N -1 0 339.322 3.804 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000431999207 600668493 /nfs/dbraw/zinc/66/84/93/600668493.db2.gz PNYMFYUDHQJWED-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM C[C@@H](CC(=O)O[C@@H](C(=O)[O-])c1ccccc1F)c1ccc(F)cc1 ZINC000827391838 600668790 /nfs/dbraw/zinc/66/87/90/600668790.db2.gz LSOZGBPFNIIKST-APPDUMDISA-N -1 0 334.318 3.828 20 0 EHADRM CCCCc1nc(CNc2cc(C(=O)[O-])cc(C(=O)OC)c2)cs1 ZINC000737003475 600676149 /nfs/dbraw/zinc/67/61/49/600676149.db2.gz IEPRDEUDWJTDMZ-UHFFFAOYSA-N -1 0 348.424 3.583 20 0 EHADRM CCOc1cc(C(=O)O[C@H](C(=O)[O-])c2ccccc2F)ccc1C ZINC000830037431 600676348 /nfs/dbraw/zinc/67/63/48/600676348.db2.gz FBHFWOHOBCAUON-INIZCTEOSA-N -1 0 332.327 3.516 20 0 EHADRM CC(C)C[C@@H](C(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000736401183 600688512 /nfs/dbraw/zinc/68/85/12/600688512.db2.gz DNDLJVGNFYJDBZ-GOSISDBHSA-N -1 0 341.407 3.918 20 0 EHADRM Cc1ccsc1S(=O)(=O)Oc1cc2ccccc2cc1C(=O)[O-] ZINC000832985236 600693124 /nfs/dbraw/zinc/69/31/24/600693124.db2.gz JTXMUDLTWKXXBR-UHFFFAOYSA-N -1 0 348.401 3.676 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)cc1 ZINC000833315687 600695879 /nfs/dbraw/zinc/69/58/79/600695879.db2.gz VPCOUZGCZPXGNU-UKRRQHHQSA-N -1 0 332.302 3.510 20 0 EHADRM Cc1cc(COC(=O)c2c[nH]cc2-c2ccc(F)cc2)oc1C(=O)[O-] ZINC000832886583 600698250 /nfs/dbraw/zinc/69/82/50/600698250.db2.gz ZFBQJDYPLWWJOD-UHFFFAOYSA-N -1 0 343.310 3.777 20 0 EHADRM CC(C)[C@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000262909983 600708814 /nfs/dbraw/zinc/70/88/14/600708814.db2.gz DPPJBQNAFFPEOX-ZFWWWQNUSA-N -1 0 338.835 3.543 20 0 EHADRM CCC[C@H]1[C@H](C)CCCN1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000829244849 600709074 /nfs/dbraw/zinc/70/90/74/600709074.db2.gz BZMBHPMZBIMXRQ-PBHICJAKSA-N -1 0 332.444 3.538 20 0 EHADRM C/C(=C/C(=O)O[C@@H](C(=O)[O-])C(C)C)c1cccc(C(F)(F)F)c1 ZINC000825724237 600713256 /nfs/dbraw/zinc/71/32/56/600713256.db2.gz KQIOSIQFBFUJEH-JKEYDSJLSA-N -1 0 330.302 3.761 20 0 EHADRM CCC[C@]1(C)CCCN(C(=O)NCc2ccc(OC)c(C(=O)[O-])c2)C1 ZINC000829237836 600716681 /nfs/dbraw/zinc/71/66/81/600716681.db2.gz GSKPKUIBHLPYBZ-LJQANCHMSA-N -1 0 348.443 3.505 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC000827427518 600721724 /nfs/dbraw/zinc/72/17/24/600721724.db2.gz IBYXSVGEWVOKLZ-GUYCJALGSA-N -1 0 330.355 3.764 20 0 EHADRM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000823966688 600722489 /nfs/dbraw/zinc/72/24/89/600722489.db2.gz ZROPDCXSXQTVMD-ZDUSSCGKSA-N -1 0 344.411 3.673 20 0 EHADRM O=C([O-])CCCCCCNC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000833224841 600725402 /nfs/dbraw/zinc/72/54/02/600725402.db2.gz BLRLNNIDKMKILF-OAHLLOKOSA-N -1 0 338.835 3.832 20 0 EHADRM Cc1cc(C)cc(CCNC(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000738363636 600728815 /nfs/dbraw/zinc/72/88/15/600728815.db2.gz LTJPHHWRFSXEKA-UHFFFAOYSA-N -1 0 326.396 3.674 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)OCc2ccc3ccccc3c2)cc1O ZINC000833284362 600729381 /nfs/dbraw/zinc/72/93/81/600729381.db2.gz SDRYMGCBMDYFBF-UHFFFAOYSA-N -1 0 337.331 3.992 20 0 EHADRM C[C@@H](OC(=O)c1ccc(NC(=O)[O-])c(O)c1)c1ccc(F)c(F)c1 ZINC000827862188 600733289 /nfs/dbraw/zinc/73/32/89/600733289.db2.gz XGYBBHLNZWIJBT-MRVPVSSYSA-N -1 0 337.278 3.678 20 0 EHADRM COc1ccc(N[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)cn1 ZINC000832408592 600735899 /nfs/dbraw/zinc/73/58/99/600735899.db2.gz WWKLHGOBTSXJEO-ZDUSSCGKSA-N -1 0 327.167 3.635 20 0 EHADRM Cc1cc(COC(=O)c2ccc(OC3CCC3)cc2)oc1C(=O)[O-] ZINC000832886003 600735952 /nfs/dbraw/zinc/73/59/52/600735952.db2.gz VHWLUZKBVKFHSW-UHFFFAOYSA-N -1 0 330.336 3.575 20 0 EHADRM CC(C)C(=O)Nc1cccc(N[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000826658708 600737002 /nfs/dbraw/zinc/73/70/02/600737002.db2.gz XIZYOHJGDOKVCF-INIZCTEOSA-N -1 0 330.359 3.658 20 0 EHADRM Cc1ccc2c(CCC(=O)O[C@H](C(=O)[O-])c3ccccc3)c[nH]c2c1 ZINC000832959524 600740903 /nfs/dbraw/zinc/74/09/03/600740903.db2.gz HMBCOMKAXZYKGM-IBGZPJMESA-N -1 0 337.375 3.778 20 0 EHADRM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)NCCCCC(=O)[O-])cc1 ZINC000666563118 600743966 /nfs/dbraw/zinc/74/39/66/600743966.db2.gz SYWHQVFMEDWOJG-SJORKVTESA-N -1 0 332.444 3.527 20 0 EHADRM CC(C)C[C@@H](NC(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000263226106 600752387 /nfs/dbraw/zinc/75/23/87/600752387.db2.gz LTCPIMKOABAPKD-UKRRQHHQSA-N -1 0 338.835 3.543 20 0 EHADRM CCC[C@H]1[C@@H](C)CCCN1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000829245551 600752401 /nfs/dbraw/zinc/75/24/01/600752401.db2.gz JYCZCVYXXFBGKJ-YOEHRIQHSA-N -1 0 347.459 3.929 20 0 EHADRM Cc1nc(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])c2ccccn12 ZINC000738841711 600770967 /nfs/dbraw/zinc/77/09/67/600770967.db2.gz BHUGGICWFKOAKO-UHFFFAOYSA-N -1 0 337.379 3.717 20 0 EHADRM CCc1ccc(O)c(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000830253588 600775647 /nfs/dbraw/zinc/77/56/47/600775647.db2.gz HJILNAYWCNFZRS-UHFFFAOYSA-N -1 0 327.380 3.569 20 0 EHADRM O=C([O-])C1(NC(=O)[C@H]2C[C@]23CCCc2ccccc23)CCCCCC1 ZINC000833129218 600784756 /nfs/dbraw/zinc/78/47/56/600784756.db2.gz WTVVFMCJHFHJJP-XLIONFOSSA-N -1 0 341.451 3.574 20 0 EHADRM Cc1ccc2cccc(C(=O)N(CCC(=O)[O-])Cc3ccccc3)c2n1 ZINC000683298520 600786521 /nfs/dbraw/zinc/78/65/21/600786521.db2.gz ZNWKTZQFBWSZJZ-UHFFFAOYSA-N -1 0 348.402 3.660 20 0 EHADRM CCCCS[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000776673126 600799028 /nfs/dbraw/zinc/79/90/28/600799028.db2.gz MJDMMOVXONVJEP-SMDDNHRTSA-N -1 0 343.876 3.894 20 0 EHADRM O=C([O-])c1ccc(O[C@@H]2CCCN(c3ccccc3Cl)C2=O)cc1 ZINC000833321563 600801166 /nfs/dbraw/zinc/80/11/66/600801166.db2.gz HMPIFHQGOXFYKV-MRXNPFEDSA-N -1 0 345.782 3.613 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1OC(=O)c1ccncc1Cl ZINC000833353865 600802404 /nfs/dbraw/zinc/80/24/04/600802404.db2.gz VVGPWOWZACNDFY-UHFFFAOYSA-N -1 0 327.723 3.806 20 0 EHADRM Cc1ccc(S[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)c(C)c1 ZINC000832958255 600804260 /nfs/dbraw/zinc/80/42/60/600804260.db2.gz YAJZEFKXZZISIO-AWEZNQCLSA-N -1 0 347.461 3.961 20 0 EHADRM NC(=NOCc1csc(C2CCCC2)n1)c1cccc(C(=O)[O-])c1 ZINC000833078253 600807590 /nfs/dbraw/zinc/80/75/90/600807590.db2.gz LSQKNJRKTJPZQO-UHFFFAOYSA-N -1 0 345.424 3.546 20 0 EHADRM Cc1[nH]c(C(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)c(C)c1C(=O)[O-] ZINC000832843383 600810143 /nfs/dbraw/zinc/81/01/43/600810143.db2.gz LAPOMVDTPKKKEX-GXFFZTMASA-N -1 0 330.384 3.536 20 0 EHADRM O=C([O-])CCCOc1ccc(CNc2nccc3occc32)cc1 ZINC000833228019 600815869 /nfs/dbraw/zinc/81/58/69/600815869.db2.gz XWZYJOWONCFBEA-UHFFFAOYSA-N -1 0 326.352 3.684 20 0 EHADRM CC/C(=C\C(=O)Nc1nc(C)c(C(=O)[O-])s1)c1ccc(C)cc1 ZINC000736833763 600825275 /nfs/dbraw/zinc/82/52/75/600825275.db2.gz DZVNLWPAAHXMMN-FMIVXFBMSA-N -1 0 330.409 3.890 20 0 EHADRM COc1ccc(-c2cnc(CNc3cccc(C(=O)[O-])c3C)o2)cc1 ZINC000832124263 600825888 /nfs/dbraw/zinc/82/58/88/600825888.db2.gz MAGFZAMRHVFDMY-UHFFFAOYSA-N -1 0 338.363 3.969 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)sc1C(=O)[O-] ZINC000738235454 600826389 /nfs/dbraw/zinc/82/63/89/600826389.db2.gz UOPDCJHHZIJRAT-VHSXEESVSA-N -1 0 337.347 3.775 20 0 EHADRM Cc1cccc2c(CCC(=O)N(C)c3ccccc3C(=O)[O-])c[nH]c21 ZINC000738310142 600827387 /nfs/dbraw/zinc/82/73/87/600827387.db2.gz CMZRXTFMOOFMJK-UHFFFAOYSA-N -1 0 336.391 3.770 20 0 EHADRM CC[C@@H]1CN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C[C@H](C)O1 ZINC000829151463 600828972 /nfs/dbraw/zinc/82/89/72/600828972.db2.gz RWMVUHROKYITED-BLLLJJGKSA-N -1 0 346.452 3.508 20 0 EHADRM Cc1cccc2c(CCC(=O)Nc3ccc(F)c(C(=O)[O-])c3)c[nH]c21 ZINC000738748372 600830059 /nfs/dbraw/zinc/83/00/59/600830059.db2.gz UIRWQRZCFQTCEE-UHFFFAOYSA-N -1 0 340.354 3.885 20 0 EHADRM COc1ccc2[nH]c(S[C@H](C(=O)[O-])c3ccccc3F)nc2c1 ZINC000832510205 600832093 /nfs/dbraw/zinc/83/20/93/600832093.db2.gz GOXLTQXPDTYTMX-AWEZNQCLSA-N -1 0 332.356 3.629 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000738542469 600832969 /nfs/dbraw/zinc/83/29/69/600832969.db2.gz ZIHMVUDQHBAPAW-CHWSQXEVSA-N -1 0 332.302 3.681 20 0 EHADRM Cc1ccccc1[C@@H]1CN(Cc2ccc(F)cc2C(=O)[O-])[C@H](C)CO1 ZINC000570100862 600833010 /nfs/dbraw/zinc/83/30/10/600833010.db2.gz YKATVRNFUFXWNA-KUHUBIRLSA-N -1 0 343.398 3.794 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000740078857 600833389 /nfs/dbraw/zinc/83/33/89/600833389.db2.gz UPHBSJINOXFKFA-GHMZBOCLSA-N -1 0 335.281 3.544 20 0 EHADRM COC(=O)[C@H](SC[C@@H](C)C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000831083766 600840099 /nfs/dbraw/zinc/84/00/99/600840099.db2.gz BVCAFVLPWNXSDM-RDDDGLTNSA-N -1 0 337.224 3.661 20 0 EHADRM C[C@H](CC(=O)N[C@](C)(C(=O)[O-])C1CC1)c1ccccc1C(F)(F)F ZINC000237389003 600844380 /nfs/dbraw/zinc/84/43/80/600844380.db2.gz GXWFZMDOIHZQOM-HWPZZCPQSA-N -1 0 343.345 3.569 20 0 EHADRM Cc1cccc(NC(=O)NCCc2ccc(C(=O)[O-])cc2)c1Cl ZINC000323854226 600844740 /nfs/dbraw/zinc/84/47/40/600844740.db2.gz ZDZOSVFJOFDXGQ-UHFFFAOYSA-N -1 0 332.787 3.711 20 0 EHADRM Cc1cccc2c(CCC(=O)N(CC(=O)[O-])c3ccccc3)c[nH]c21 ZINC000738747080 600844784 /nfs/dbraw/zinc/84/47/84/600844784.db2.gz AADIUBWVWDLOJJ-UHFFFAOYSA-N -1 0 336.391 3.527 20 0 EHADRM O=C([O-])c1coc(CSc2nnc(CCCc3ccccc3)o2)c1 ZINC000833340577 600845087 /nfs/dbraw/zinc/84/50/87/600845087.db2.gz IRBKTNKNMZNKTA-UHFFFAOYSA-N -1 0 344.392 3.828 20 0 EHADRM CS[C@H](C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21)c1ccccc1 ZINC000738180719 600848243 /nfs/dbraw/zinc/84/82/43/600848243.db2.gz YTXCPYGDVYDGMD-KDOFPFPSSA-N -1 0 341.432 3.696 20 0 EHADRM CSc1ccc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000322324950 600848843 /nfs/dbraw/zinc/84/88/43/600848843.db2.gz JPJDBKRYEGKQRG-ZDUSSCGKSA-N -1 0 327.405 3.627 20 0 EHADRM C[C@@H](CC(=O)c1ccccc1F)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000827398310 600851679 /nfs/dbraw/zinc/85/16/79/600851679.db2.gz WHIVSOFRBNFYLX-JTQLQIEISA-N -1 0 347.317 3.511 20 0 EHADRM Cc1nc(C2CCCC2)sc1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000262268288 600853576 /nfs/dbraw/zinc/85/35/76/600853576.db2.gz HXBYFJHURXQCOC-UHFFFAOYSA-N -1 0 344.436 3.989 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000237504293 600853813 /nfs/dbraw/zinc/85/38/13/600853813.db2.gz CLFCMEBPDCXWDG-IUODEOHRSA-N -1 0 349.427 3.788 20 0 EHADRM Cc1ccc([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)o1 ZINC000832925113 600854618 /nfs/dbraw/zinc/85/46/18/600854618.db2.gz WFLNQLBQXXTUHH-ZDUSSCGKSA-N -1 0 342.395 3.629 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)C1(C)C ZINC000736344027 600854788 /nfs/dbraw/zinc/85/47/88/600854788.db2.gz QUWWZEWJMGWXIF-JCKWVBRZSA-N -1 0 327.424 3.830 20 0 EHADRM Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)C2 ZINC000676001185 600856468 /nfs/dbraw/zinc/85/64/68/600856468.db2.gz HSJCYCLFENYTDZ-MRXNPFEDSA-N -1 0 345.782 3.597 20 0 EHADRM Cc1c(NC(=O)[C@H]2SCCc3ccccc32)cccc1C(=O)[O-] ZINC000675967326 600856615 /nfs/dbraw/zinc/85/66/15/600856615.db2.gz ZHRHISQGAZBJQD-INIZCTEOSA-N -1 0 327.405 3.662 20 0 EHADRM CSc1ccsc1C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000738208634 600857070 /nfs/dbraw/zinc/85/70/70/600857070.db2.gz ISJBDLPMCWAWFX-SNVBAGLBSA-N -1 0 333.434 3.689 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)CCc2ccc(Cl)s2)c2ccccc21 ZINC000739642956 600861154 /nfs/dbraw/zinc/86/11/54/600861154.db2.gz RSWNXAKKJWLSFF-LLVKDONJSA-N -1 0 349.839 3.939 20 0 EHADRM Cc1cc2cc(C(=O)N3[C@@H]4CCCC[C@@H]4C[C@H]3C(=O)[O-])oc2cc1C ZINC000358607547 600861770 /nfs/dbraw/zinc/86/17/70/600861770.db2.gz FAVJQYGHRUZBHQ-BMFZPTHFSA-N -1 0 341.407 3.908 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)c2c[nH]nc2-c2ccc(F)cc2)cc1 ZINC000833291191 600862800 /nfs/dbraw/zinc/86/28/00/600862800.db2.gz ZFWJWBVJVHZHIX-UHFFFAOYSA-N -1 0 341.298 3.525 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000262331347 600863162 /nfs/dbraw/zinc/86/31/62/600863162.db2.gz FALFPXIYSHTUGG-WCZJQEMASA-N -1 0 347.430 3.639 20 0 EHADRM C[C@@H](CC(=O)c1ccccc1F)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000827398213 600863202 /nfs/dbraw/zinc/86/32/02/600863202.db2.gz TXHGPSDOHCICQK-NSHDSACASA-N -1 0 344.342 3.763 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)[C@@H]2SCCc3ccccc32)c1 ZINC000833290082 600863665 /nfs/dbraw/zinc/86/36/65/600863665.db2.gz WTWBQWNIDCFDGT-OAHLLOKOSA-N -1 0 328.393 3.746 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccc(Cl)cc1 ZINC000607519314 600864866 /nfs/dbraw/zinc/86/48/66/600864866.db2.gz ZIBRIHZRUUWWNY-MRXNPFEDSA-N -1 0 346.814 3.950 20 0 EHADRM CCc1ccc([C@@H]2CCCCN2C(=O)c2ccc(C(=O)[O-])cc2)o1 ZINC000737258756 600866154 /nfs/dbraw/zinc/86/61/54/600866154.db2.gz IIOVPSTXDPYOQK-INIZCTEOSA-N -1 0 327.380 3.908 20 0 EHADRM CCC[C@](C)(NC(=O)c1ccc(-c2ccc(CC)cc2)o1)C(=O)[O-] ZINC000829193949 600867265 /nfs/dbraw/zinc/86/72/65/600867265.db2.gz OYTSZBKPNBUCLJ-IBGZPJMESA-N -1 0 329.396 3.882 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)Cc1cc(F)ccc1F ZINC000236625623 600869498 /nfs/dbraw/zinc/86/94/98/600869498.db2.gz KTQJEKIIGMPEMB-UHFFFAOYSA-N -1 0 349.333 3.631 20 0 EHADRM CC(C)[C@@H](C(=O)Nc1ccc(OCCC(=O)[O-])cc1)c1ccccc1 ZINC000236651748 600870325 /nfs/dbraw/zinc/87/03/25/600870325.db2.gz VDRQIGZOUQKSEV-LJQANCHMSA-N -1 0 341.407 3.918 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCC(CCc3ccccc3)CC2)C1 ZINC000180110644 600875810 /nfs/dbraw/zinc/87/58/10/600875810.db2.gz BDFAUDOMQGZBOI-RBUKOAKNSA-N -1 0 343.467 3.749 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)Nc3cc(C(=O)[O-])ccc3F)c2c1 ZINC000237862336 600875898 /nfs/dbraw/zinc/87/58/98/600875898.db2.gz RQZYXQJMJPEKQN-UHFFFAOYSA-N -1 0 340.354 3.885 20 0 EHADRM Cc1ccc([C@H](C)C(=O)NCc2c3ccccc3sc2C(=O)[O-])o1 ZINC000832922406 600876129 /nfs/dbraw/zinc/87/61/29/600876129.db2.gz ACSOUTMZPWEWOX-NSHDSACASA-N -1 0 343.404 3.921 20 0 EHADRM CCc1nc(C)c(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)s1 ZINC000262509454 600883639 /nfs/dbraw/zinc/88/36/39/600883639.db2.gz ORHKLBCLJASALF-UHFFFAOYSA-N -1 0 332.425 3.628 20 0 EHADRM C/C(=C\C(=O)NC(C)(C)CCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000766973878 600883894 /nfs/dbraw/zinc/88/38/94/600883894.db2.gz LEWYZARZTXLLDW-PKNBQFBNSA-N -1 0 343.345 3.868 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NCc2cccc(Cl)c2Cl)C1 ZINC000565043894 600885488 /nfs/dbraw/zinc/88/54/88/600885488.db2.gz NSHIRRGDIZLLQU-ZJUUUORDSA-N -1 0 330.211 3.501 20 0 EHADRM CC(C)[C@@H](C(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccccc1 ZINC000826676139 600887447 /nfs/dbraw/zinc/88/74/47/600887447.db2.gz DXMQCPFPUUBDRK-QGZVFWFLSA-N -1 0 326.396 3.833 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CSc2ccccc2Cl)s1 ZINC000035425069 600900198 /nfs/dbraw/zinc/90/01/98/600900198.db2.gz IGEVRQUKGVBXIA-UHFFFAOYSA-N -1 0 327.814 3.831 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)N(C)c1ccc(-c2ccccc2)cc1 ZINC000826700783 600904233 /nfs/dbraw/zinc/90/42/33/600904233.db2.gz ZJTLGXPQMYWVCX-KRWDZBQOSA-N -1 0 326.396 3.609 20 0 EHADRM C[C@H](C(=O)NCc1c2ccccc2sc1C(=O)[O-])c1ccco1 ZINC000736213446 600905004 /nfs/dbraw/zinc/90/50/04/600905004.db2.gz DEGXINLYLXEZQJ-JTQLQIEISA-N -1 0 329.377 3.612 20 0 EHADRM CCCC(=O)Nc1cccc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1C ZINC000829183997 600911171 /nfs/dbraw/zinc/91/11/71/600911171.db2.gz DUFCGJSWOOGHFB-KGLIPLIRSA-N -1 0 346.427 3.563 20 0 EHADRM CN(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)[C@@H](c1ccccc1)C(F)(F)F ZINC000830456117 600931070 /nfs/dbraw/zinc/93/10/70/600931070.db2.gz CEXDJYLJNSRKBU-MCIONIFRSA-N -1 0 343.345 3.639 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CCC2(CCCC2)C1)C(=O)[O-] ZINC000237551144 600934281 /nfs/dbraw/zinc/93/42/81/600934281.db2.gz FWYNHGZDGIMFQU-ZDUSSCGKSA-N -1 0 333.453 3.658 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1cc2ccccc2s1 ZINC000647194257 600940492 /nfs/dbraw/zinc/94/04/92/600940492.db2.gz HAEXNEKIWXWRPF-IACUBPJLSA-N -1 0 331.437 3.970 20 0 EHADRM CCCCN(C)c1ccc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000829381038 600940614 /nfs/dbraw/zinc/94/06/14/600940614.db2.gz IRDOWWLQQOLQIW-CABCVRRESA-N -1 0 332.444 3.752 20 0 EHADRM O=C([O-])c1ccc(OC(=O)c2cccc(-c3cscn3)c2)cc1 ZINC000833321724 600940774 /nfs/dbraw/zinc/94/07/74/600940774.db2.gz KTOLQUDSNYXWMS-UHFFFAOYSA-N -1 0 325.345 3.728 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NCC2CCC(c3ccccc3)CC2)C1 ZINC000498655461 600941369 /nfs/dbraw/zinc/94/13/69/600941369.db2.gz ICQIAWBRILINLR-SOTJZCEJSA-N -1 0 343.467 3.968 20 0 EHADRM Cc1nc(-c2cccc(C(=O)OCc3ccc(C(=O)[O-])o3)c2)cs1 ZINC000832991603 600943221 /nfs/dbraw/zinc/94/32/21/600943221.db2.gz NDPVBCUPBYNVGZ-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000829009791 600946012 /nfs/dbraw/zinc/94/60/12/600946012.db2.gz QFLFSLNRXBVWLW-KMFMINBZSA-N -1 0 334.412 3.593 20 0 EHADRM COc1ccc2c(c1)CCC[C@H]2CC(=O)O[C@@H](CC(C)C)C(=O)[O-] ZINC000832493729 600950538 /nfs/dbraw/zinc/95/05/38/600950538.db2.gz RHILQENQTBRJBC-YOEHRIQHSA-N -1 0 334.412 3.548 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc(Oc3ccccn3)cc2)C1 ZINC000833188315 600952324 /nfs/dbraw/zinc/95/23/24/600952324.db2.gz YHHZWDRDODYIQQ-KGLIPLIRSA-N -1 0 340.379 3.703 20 0 EHADRM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000826694531 600954555 /nfs/dbraw/zinc/95/45/55/600954555.db2.gz YFLFKDMDTWAHRT-KRWDZBQOSA-N -1 0 344.386 3.913 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)Oc1ccccc1CC(=O)[O-] ZINC000827427106 600958739 /nfs/dbraw/zinc/95/87/39/600958739.db2.gz APXOEGSLHGFTMD-ZDUSSCGKSA-N -1 0 330.355 3.627 20 0 EHADRM O=C([O-])C[C@H]1CN(Cc2cc3ccccc3[nH]c2=O)c2ccccc21 ZINC000739653188 600960401 /nfs/dbraw/zinc/96/04/01/600960401.db2.gz JBWNXMAUEMJHBL-AWEZNQCLSA-N -1 0 334.375 3.519 20 0 EHADRM O=C([O-])C[C@@H]1CN(Cc2coc(-c3cccs3)n2)c2ccccc21 ZINC000325220998 600961522 /nfs/dbraw/zinc/96/15/22/600961522.db2.gz QKQKWBQIPRASSG-GFCCVEGCSA-N -1 0 340.404 3.982 20 0 EHADRM CC1CCN(c2cccc(NC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)c2)CC1 ZINC000828303873 600964958 /nfs/dbraw/zinc/96/49/58/600964958.db2.gz ZBHXBZYEAHYWKW-CVEARBPZSA-N -1 0 344.455 3.752 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000776595836 600968293 /nfs/dbraw/zinc/96/82/93/600968293.db2.gz SJIPMYITQWULCS-PGRDOPGGSA-N -1 0 347.414 3.568 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2SCCc3ccccc32)c(F)cc1F ZINC000833299297 600969971 /nfs/dbraw/zinc/96/99/71/600969971.db2.gz BJZFWSHCFVKKNL-OAHLLOKOSA-N -1 0 349.358 3.632 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000829009977 600970263 /nfs/dbraw/zinc/97/02/63/600970263.db2.gz XLJTXRNVXFGHAI-RBOXIYTFSA-N -1 0 337.391 3.836 20 0 EHADRM Cc1nc(C2CCCC2)sc1C(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000679397985 600971216 /nfs/dbraw/zinc/97/12/16/600971216.db2.gz XRUILPWCNWBETG-CYBMUJFWSA-N -1 0 336.457 3.579 20 0 EHADRM Cc1cc(C(=O)[O-])c2sc(NC(=O)c3c(C)cccc3C)nc2n1 ZINC000832866494 600974202 /nfs/dbraw/zinc/97/42/02/600974202.db2.gz FWUJDYKYIBZDAB-UHFFFAOYSA-N -1 0 341.392 3.567 20 0 EHADRM O=C([O-])c1ccc(CSc2n[nH]c(-c3cc(F)cc(F)c3)n2)cc1 ZINC000740134868 600987614 /nfs/dbraw/zinc/98/76/14/600987614.db2.gz HQOYNEULQAQPQB-UHFFFAOYSA-N -1 0 347.346 3.740 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000393012504 600994633 /nfs/dbraw/zinc/99/46/33/600994633.db2.gz HTHYLXMRLWUGCL-OAHLLOKOSA-N -1 0 347.459 3.545 20 0 EHADRM CC(C)c1ccccc1NC(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000392143804 600996130 /nfs/dbraw/zinc/99/61/30/600996130.db2.gz GJHWUAMHIPEARG-INIZCTEOSA-N -1 0 326.396 3.800 20 0 EHADRM Cc1noc(C(F)F)c1C(=O)Oc1cc2ccccc2cc1C(=O)[O-] ZINC000833019797 600996427 /nfs/dbraw/zinc/99/64/27/600996427.db2.gz QBTJWKMFOPTUNU-UHFFFAOYSA-N -1 0 347.273 3.991 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1ccccc1SC(F)F)C(=O)[O-] ZINC000321611491 600997969 /nfs/dbraw/zinc/99/79/69/600997969.db2.gz WXANDJMZXLFDGO-JTQLQIEISA-N -1 0 346.399 3.870 20 0 EHADRM CCc1csc(CC(=O)Nc2cc3ccccc3cc2C(=O)[O-])n1 ZINC000830298845 601001318 /nfs/dbraw/zinc/00/13/18/601001318.db2.gz HIQYPJHJKYKVTM-UHFFFAOYSA-N -1 0 340.404 3.738 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])c1 ZINC000679396772 601004777 /nfs/dbraw/zinc/00/47/77/601004777.db2.gz NHFJBCCPLIZTGM-MRXNPFEDSA-N -1 0 331.412 3.501 20 0 EHADRM COc1ccc(NC(=O)[C@@H]2CCSc3ccccc32)c(C(=O)[O-])c1 ZINC000738024392 601005791 /nfs/dbraw/zinc/00/57/91/601005791.db2.gz BOBBYGBXXGKXSX-CYBMUJFWSA-N -1 0 343.404 3.612 20 0 EHADRM CC[C@](C)(NC(=O)C[C@H](Cc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000362342218 601006354 /nfs/dbraw/zinc/00/63/54/601006354.db2.gz ZXQLDVJJBASRQG-RXVVDRJESA-N -1 0 339.435 3.773 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c(F)cc1F ZINC000833150290 601013005 /nfs/dbraw/zinc/01/30/05/601013005.db2.gz FZZVAWAPBKOHMU-GARJFASQSA-N -1 0 338.354 3.753 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccncc1 ZINC000828952152 601014140 /nfs/dbraw/zinc/01/41/40/601014140.db2.gz VXRKUZGOLIHDTR-CQSZACIVSA-N -1 0 333.775 3.706 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cnc3ccsc3c2)cc1Cl ZINC000555719966 601017976 /nfs/dbraw/zinc/01/79/76/601017976.db2.gz QWDLIAWRVFDHKS-UHFFFAOYSA-N -1 0 332.768 3.900 20 0 EHADRM C[C@@H](COCc1ccccc1)NC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000827517399 601022947 /nfs/dbraw/zinc/02/29/47/601022947.db2.gz MKRYFYKVPNPYHG-ZDUSSCGKSA-N -1 0 343.383 3.503 20 0 EHADRM CC(C)(C)c1ccccc1OCC(=O)Oc1ccccc1CC(=O)[O-] ZINC000736300463 601023241 /nfs/dbraw/zinc/02/32/41/601023241.db2.gz YUCJBZBMFGXUEH-UHFFFAOYSA-N -1 0 342.391 3.596 20 0 EHADRM CCN(C(=O)Nc1ccc(F)c(C(=O)[O-])c1)[C@@H](C)c1cccc(O)c1 ZINC000829602422 601026409 /nfs/dbraw/zinc/02/64/09/601026409.db2.gz NJMRESAXUQYCHH-NSHDSACASA-N -1 0 346.358 3.845 20 0 EHADRM CC[C@H](C)Oc1ccc(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000828764911 601028967 /nfs/dbraw/zinc/02/89/67/601028967.db2.gz QOZBYRABXLYBBY-KBPBESRZSA-N -1 0 336.432 3.732 20 0 EHADRM Cc1cc(C)cc(C[C@@H](C)NC(=O)Nc2ccc(CC(=O)[O-])cc2)c1 ZINC000832877182 601031743 /nfs/dbraw/zinc/03/17/43/601031743.db2.gz RBNBLHBMMKYCOE-OAHLLOKOSA-N -1 0 340.423 3.683 20 0 EHADRM CC1(C)CCC(NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)CC1 ZINC000828060161 601034697 /nfs/dbraw/zinc/03/46/97/601034697.db2.gz IUVYUUWYBDJQRY-UHFFFAOYSA-N -1 0 334.416 3.630 20 0 EHADRM CCC[C@@H]1[C@@H](C)CCCN1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000829245879 601035127 /nfs/dbraw/zinc/03/51/27/601035127.db2.gz PTDVWPXYJDAXSZ-WMLDXEAASA-N -1 0 348.443 3.973 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1)c1ccncc1 ZINC000828951244 601035932 /nfs/dbraw/zinc/03/59/32/601035932.db2.gz HJHUPYWRETXOJY-CYBMUJFWSA-N -1 0 332.335 3.583 20 0 EHADRM C[C@@H](CC(=O)N(c1ncc(C(=O)[O-])s1)C1CC1)c1ccccc1F ZINC000736544289 601036047 /nfs/dbraw/zinc/03/60/47/601036047.db2.gz DMXDGDCEEFHFDH-JTQLQIEISA-N -1 0 348.399 3.670 20 0 EHADRM Cc1cc(NC(=O)NC[C@H](C)Sc2ccccc2)ccc1C(=O)[O-] ZINC000832895389 601040979 /nfs/dbraw/zinc/04/09/79/601040979.db2.gz VPVJIWYIOCJXPD-ZDUSSCGKSA-N -1 0 344.436 3.996 20 0 EHADRM CCc1[nH]c(C(=O)N[C@H](C)Cc2cc(C)cc(C)c2)c(C)c1C(=O)[O-] ZINC000737241986 601043601 /nfs/dbraw/zinc/04/36/01/601043601.db2.gz QVXKGEFTVCXHQZ-CYBMUJFWSA-N -1 0 342.439 3.562 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1 ZINC000833239201 601048205 /nfs/dbraw/zinc/04/82/05/601048205.db2.gz ZFXQFUOADOBRCV-ZMSDIMECSA-N -1 0 330.428 3.794 20 0 EHADRM O=C([O-])[C@@H](OC(=O)CCSc1ccccc1)c1ccccc1F ZINC000833100823 601060540 /nfs/dbraw/zinc/06/05/40/601060540.db2.gz HLAPZBJXFAAWQC-INIZCTEOSA-N -1 0 334.368 3.677 20 0 EHADRM C[C@H](C(=O)NC(C)(C)CCC(=O)[O-])c1ccccc1C(F)(F)F ZINC000676213876 601061540 /nfs/dbraw/zinc/06/15/40/601061540.db2.gz RSRORKSBLPONCV-JTQLQIEISA-N -1 0 331.334 3.569 20 0 EHADRM CC(C)c1ccccc1OCC(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000827139866 601065649 /nfs/dbraw/zinc/06/56/49/601065649.db2.gz UPZCKISAECFLFU-SFHVURJKSA-N -1 0 346.354 3.697 20 0 EHADRM Cc1ccoc1C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000832985029 601069924 /nfs/dbraw/zinc/06/99/24/601069924.db2.gz WPISHVZAZUAMJT-LBPRGKRZSA-N -1 0 329.135 3.878 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1cc2sccc2s1)c1ccccc1 ZINC000316391140 601081237 /nfs/dbraw/zinc/08/12/37/601081237.db2.gz QWOSTCNXJBWLJY-NSHDSACASA-N -1 0 331.418 3.561 20 0 EHADRM CSCc1cc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)ccc1F ZINC000192955881 601082509 /nfs/dbraw/zinc/08/25/09/601082509.db2.gz VMWGWEGLFLWQQV-AWEZNQCLSA-N -1 0 345.395 3.517 20 0 EHADRM CCc1[nH]c(C(=O)N2CC[C@H]2c2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC000737242104 601086643 /nfs/dbraw/zinc/08/66/43/601086643.db2.gz PTSIWPYGWKGZAW-AWEZNQCLSA-N -1 0 346.814 3.824 20 0 EHADRM CN(Cc1cccs1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000321242433 601086944 /nfs/dbraw/zinc/08/69/44/601086944.db2.gz IYTVHGHPJWKGHL-UHFFFAOYSA-N -1 0 332.425 3.774 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)C=C(C1CC1)C1CC1 ZINC000833177916 601086977 /nfs/dbraw/zinc/08/69/77/601086977.db2.gz SLDDCILUVZXNTR-WMZOPIPTSA-N -1 0 331.456 3.615 20 0 EHADRM CCc1ccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])s1 ZINC000830232203 601089431 /nfs/dbraw/zinc/08/94/31/601089431.db2.gz HYQXBRMFUVWJIC-DZGCQCFKSA-N -1 0 335.469 3.806 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)Nc1ncc(Cl)s1)C(=O)[O-] ZINC000736715501 601095096 /nfs/dbraw/zinc/09/50/96/601095096.db2.gz FUYSJGHCUMYTSV-ZETCQYMHSA-N -1 0 342.829 3.614 20 0 EHADRM C/C(=C\COc1ccc([N+](=O)[O-])cc1Cc1ccccc1)C(=O)[O-] ZINC000325082629 601098682 /nfs/dbraw/zinc/09/86/82/601098682.db2.gz ZLNDNBZXWSDLBJ-UKTHLTGXSA-N -1 0 327.336 3.595 20 0 EHADRM Cc1[nH]c(C(=O)N2CC[C@@H](C)[C@H]2c2cccc(F)c2)c(C)c1C(=O)[O-] ZINC000832843213 601108286 /nfs/dbraw/zinc/10/82/86/601108286.db2.gz KGGFKJCFCUXYJZ-QGHHPUGFSA-N -1 0 344.386 3.692 20 0 EHADRM CCC[C@H](C)C(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000829209039 601109176 /nfs/dbraw/zinc/10/91/76/601109176.db2.gz QIISRWVSECURQO-NSHDSACASA-N -1 0 333.409 3.988 20 0 EHADRM CN(Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)Cc1nccs1 ZINC000830869816 601117072 /nfs/dbraw/zinc/11/70/72/601117072.db2.gz LAUXDXMQKYDIMY-UHFFFAOYSA-N -1 0 345.449 3.597 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(C2CCCCC2)cc1)c1ccccn1 ZINC000739375173 601124647 /nfs/dbraw/zinc/12/46/47/601124647.db2.gz WAQFXBFLZMGSLA-SFHVURJKSA-N -1 0 338.407 3.685 20 0 EHADRM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000183962863 601125750 /nfs/dbraw/zinc/12/57/50/601125750.db2.gz QHTMNVYZVBSCRV-QWHCGFSZSA-N -1 0 343.345 3.555 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2ccc(F)c(F)c2F)cc1 ZINC000391833530 601137682 /nfs/dbraw/zinc/13/76/82/601137682.db2.gz FAOXDUQJWSCICT-UHFFFAOYSA-N -1 0 337.297 3.718 20 0 EHADRM Cc1ccc(NC(=O)N(C)Cc2ccc(F)cc2F)cc1C(=O)[O-] ZINC000832944505 601140473 /nfs/dbraw/zinc/14/04/73/601140473.db2.gz FUOUYHPIKGCEIA-UHFFFAOYSA-N -1 0 334.322 3.635 20 0 EHADRM C[C@H](CC(=O)N(CC(=O)[O-])c1cccc(F)c1)c1ccc(F)cc1 ZINC000827218119 601140823 /nfs/dbraw/zinc/14/08/23/601140823.db2.gz NQVRZRDIDBLDGU-GFCCVEGCSA-N -1 0 333.334 3.576 20 0 EHADRM Cc1ccc(NC(=O)N2CC[C@@H](c3ccccc3F)C2)cc1C(=O)[O-] ZINC000832945617 601141620 /nfs/dbraw/zinc/14/16/20/601141620.db2.gz KAAUJBOEJRUATB-CYBMUJFWSA-N -1 0 342.370 3.854 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@H]2Cc2ccccc2)cc1C(=O)[O-] ZINC000832946398 601142609 /nfs/dbraw/zinc/14/26/09/601142609.db2.gz VGJIIDZERRUWNK-KRWDZBQOSA-N -1 0 338.407 3.932 20 0 EHADRM CC[C@](C)(NC(=O)Nc1ccc(C)c(C(=O)[O-])c1)c1nccs1 ZINC000828684985 601145116 /nfs/dbraw/zinc/14/51/16/601145116.db2.gz AUBWHOPBTLSSIH-INIZCTEOSA-N -1 0 333.413 3.597 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c(Br)c1 ZINC000111470533 601145220 /nfs/dbraw/zinc/14/52/20/601145220.db2.gz ZYUOOXJAESOPDD-QWRGUYRKSA-N -1 0 340.217 3.587 20 0 EHADRM O=C([O-])CN(C(=O)CC/C=C\c1ccccc1)c1cccc(F)c1 ZINC000833244356 601146039 /nfs/dbraw/zinc/14/60/39/601146039.db2.gz IABLDBBTMBCQAK-WTKPLQERSA-N -1 0 327.355 3.737 20 0 EHADRM C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)c2C#N)C1 ZINC000326311019 601146092 /nfs/dbraw/zinc/14/60/92/601146092.db2.gz LKQMQYLKVMDUQT-UTUOFQBUSA-N -1 0 346.452 3.574 20 0 EHADRM COc1ccc2cc(COC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)ccc2c1 ZINC000832504735 601149176 /nfs/dbraw/zinc/14/91/76/601149176.db2.gz VTQKLTXAMFFURR-DLBZAZTESA-N -1 0 342.391 3.783 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCSc3ccc(Cl)cc32)C1 ZINC000833183113 601149743 /nfs/dbraw/zinc/14/97/43/601149743.db2.gz PODZUSLXNYNLDC-WDEREUQCSA-N -1 0 339.844 3.670 20 0 EHADRM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000829014120 601150982 /nfs/dbraw/zinc/15/09/82/601150982.db2.gz CWWRUIIIZMNJCI-JTQLQIEISA-N -1 0 339.800 3.896 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1ccc(C(F)F)cc1)c1ccccc1 ZINC000826044366 601166862 /nfs/dbraw/zinc/16/68/62/601166862.db2.gz FYMVBZRLTGKKPM-NHYWBVRUSA-N -1 0 333.334 3.816 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000531999900 601172121 /nfs/dbraw/zinc/17/21/21/601172121.db2.gz DAXKBIQPRVTHDE-SMDDNHRTSA-N -1 0 346.452 3.767 20 0 EHADRM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC000676213491 601179147 /nfs/dbraw/zinc/17/91/47/601179147.db2.gz NFNZHGVHNZZPNR-OAHLLOKOSA-N -1 0 345.782 3.822 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)OCc2csc(C3CCCC3)n2)C1 ZINC000833187456 601185906 /nfs/dbraw/zinc/18/59/06/601185906.db2.gz KGNUPLURKBAMJV-STQMWFEESA-N -1 0 337.441 3.735 20 0 EHADRM COc1ccc([C@H](C)OC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1Cl ZINC000832226646 601187308 /nfs/dbraw/zinc/18/73/08/601187308.db2.gz QNNITXIKPHSAJT-CYZMBNFOSA-N -1 0 340.803 3.844 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)OCc2c(Cl)ccc3cccnc32)C1 ZINC000833186646 601192220 /nfs/dbraw/zinc/19/22/20/601192220.db2.gz GKVNNWPAKQDXLV-OLZOCXBDSA-N -1 0 347.798 3.822 20 0 EHADRM CSCc1cc(C(=O)Oc2cccc(CC(=O)[O-])c2)ccc1F ZINC000832766928 601193014 /nfs/dbraw/zinc/19/30/14/601193014.db2.gz RLMFKGDQNGDNOA-UHFFFAOYSA-N -1 0 334.368 3.535 20 0 EHADRM O=C([O-])NCCOC(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC000833281492 601193043 /nfs/dbraw/zinc/19/30/43/601193043.db2.gz YPJXQDROKKKDJD-UHFFFAOYSA-N -1 0 335.743 3.557 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccc3nc(C4CC4)oc3c2)C1 ZINC000833185890 601194788 /nfs/dbraw/zinc/19/47/88/601194788.db2.gz JDYAIDNWBGWMGL-VXGBXAGGSA-N -1 0 328.368 3.535 20 0 EHADRM Cc1c(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)cnc2ccccc12 ZINC000832849411 601202046 /nfs/dbraw/zinc/20/20/46/601202046.db2.gz ZFWLJHSEMVVNGI-UHFFFAOYSA-N -1 0 331.331 3.958 20 0 EHADRM CCN(C(=O)c1ccnc(C(=O)[O-])c1)[C@@H](C)c1cc2ccccc2o1 ZINC000237030938 601244420 /nfs/dbraw/zinc/24/44/20/601244420.db2.gz HZDHOXZRWYWXOA-LBPRGKRZSA-N -1 0 338.363 3.749 20 0 EHADRM O=C([O-])c1cc(C(=O)N(Cc2ccsc2)c2ccccc2)ccn1 ZINC000238159889 601245576 /nfs/dbraw/zinc/24/55/76/601245576.db2.gz HXZPYVWWASHLRP-UHFFFAOYSA-N -1 0 338.388 3.688 20 0 EHADRM CC(C)CCC[C@H](C)NC(=O)CNc1ccc(F)c(NC(=O)[O-])c1 ZINC000826848941 601249234 /nfs/dbraw/zinc/24/92/34/601249234.db2.gz NHPGDDBWVAFHNM-LBPRGKRZSA-N -1 0 339.411 3.659 20 0 EHADRM O=C([O-])c1ccc(N[C@H](COCc2ccccc2)c2ccccc2)nn1 ZINC000833320553 601254262 /nfs/dbraw/zinc/25/42/62/601254262.db2.gz SROFJVNPLRZGAR-GOSISDBHSA-N -1 0 349.390 3.545 20 0 EHADRM CCc1cccc(C)c1N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000830265632 601264507 /nfs/dbraw/zinc/26/45/07/601264507.db2.gz HPHCFQDKPCIKJT-AWEZNQCLSA-N -1 0 344.436 3.535 20 0 EHADRM COc1cccc(/C(C)=C/C(=O)Nc2cccc(F)c2C(=O)[O-])c1 ZINC000832527885 601265657 /nfs/dbraw/zinc/26/56/57/601265657.db2.gz FHYHTONWNAJFCX-PKNBQFBNSA-N -1 0 329.327 3.575 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H]2CC23CCCC3)cc1 ZINC000262237883 601269457 /nfs/dbraw/zinc/26/94/57/601269457.db2.gz XOBHTMYEURNOJL-HUUCEWRRSA-N -1 0 333.453 3.621 20 0 EHADRM C[C@@]1(CCc2ccccc2)CCN(C(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000569916395 601278699 /nfs/dbraw/zinc/27/86/99/601278699.db2.gz GQASPCWMZIPYJM-OAQYLSRUSA-N -1 0 337.419 3.870 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000237009690 601279135 /nfs/dbraw/zinc/27/91/35/601279135.db2.gz WHQQTXQBBRPQGA-KRWDZBQOSA-N -1 0 341.407 3.509 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)[C@H]1CC12CCCC2 ZINC000676018517 601281675 /nfs/dbraw/zinc/28/16/75/601281675.db2.gz JYUSYIUILFEXKQ-CYBMUJFWSA-N -1 0 329.421 3.796 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000479528618 601283612 /nfs/dbraw/zinc/28/36/12/601283612.db2.gz NXMZAJOBKVTXAJ-OAHLLOKOSA-N -1 0 331.343 3.628 20 0 EHADRM CC[C@](NC(=O)C/C=C\c1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC000485378917 601283757 /nfs/dbraw/zinc/28/37/57/601283757.db2.gz DYTDXWZVNVEMCC-PXDRNWIDSA-N -1 0 341.382 3.735 20 0 EHADRM CCCCC[C@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1ccccc1 ZINC000829333529 601283778 /nfs/dbraw/zinc/28/37/78/601283778.db2.gz OIQWDFOCMZAXQY-INIZCTEOSA-N -1 0 326.396 3.831 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)C/C=C/c2ccc(F)cc2)C(=O)[O-])cc1 ZINC000486405177 601283769 /nfs/dbraw/zinc/28/37/69/601283769.db2.gz NJBBTQJDMKPKBO-ZMUQKWFASA-N -1 0 341.382 3.522 20 0 EHADRM CC(C)[C@H](C(=O)Nc1cc(C(=O)[O-])ccn1)c1cccc(Cl)c1 ZINC000826676121 601285540 /nfs/dbraw/zinc/28/55/40/601285540.db2.gz DJULUZYVJLVAHN-HNNXBMFYSA-N -1 0 332.787 3.812 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000829014461 601285602 /nfs/dbraw/zinc/28/56/02/601285602.db2.gz IDJWSDAFFULRHR-QGZVFWFLSA-N -1 0 342.395 3.559 20 0 EHADRM O=C([O-])c1cc(C(=O)N(Cc2cccc(F)c2)C2CCCC2)ccn1 ZINC000833295863 601286068 /nfs/dbraw/zinc/28/60/68/601286068.db2.gz HWLVFSSODSMWQF-UHFFFAOYSA-N -1 0 342.370 3.504 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)CCSc1ccccc1)c1ccccc1 ZINC000262522587 601297778 /nfs/dbraw/zinc/29/77/78/601297778.db2.gz QZIOPWRFFJVENO-KBXCAEBGSA-N -1 0 343.448 3.747 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)CCc1c[nH]c2cc(C)ccc12 ZINC000828780251 601305943 /nfs/dbraw/zinc/30/59/43/601305943.db2.gz YOKNWDRSSDAPHS-UHFFFAOYSA-N -1 0 330.428 3.559 20 0 EHADRM CCc1cccc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000013078449 601316801 /nfs/dbraw/zinc/31/68/01/601316801.db2.gz OLFCQPRSESWGIP-UHFFFAOYSA-N -1 0 347.436 3.673 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000828201577 601335487 /nfs/dbraw/zinc/33/54/87/601335487.db2.gz UQZDMPYAXPCJKG-JKIFEVAISA-N -1 0 346.427 3.725 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000828201985 601337538 /nfs/dbraw/zinc/33/75/38/601337538.db2.gz ZLZBQRQYDCECQK-INWMFGNUSA-N -1 0 331.416 3.639 20 0 EHADRM C[C@H](C(=O)N(C)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000825972353 601370824 /nfs/dbraw/zinc/37/08/24/601370824.db2.gz OEDPEJXVUNMXIL-SDBXPKJASA-N -1 0 330.211 3.624 20 0 EHADRM O=C([O-])NCCCC(=O)Nc1ccc2[nH]c(C3CCCCC3)nc2c1 ZINC000833280058 601385363 /nfs/dbraw/zinc/38/53/63/601385363.db2.gz FTLWDURGMIYSPJ-UHFFFAOYSA-N -1 0 344.415 3.597 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2nc(-c3cccc(F)c3)cs2)C1 ZINC000833186054 601387234 /nfs/dbraw/zinc/38/72/34/601387234.db2.gz JZYCNBDTVIXIBZ-NWDGAFQWSA-N -1 0 348.399 3.779 20 0 EHADRM COc1cc(NCc2cc(C(=O)[O-])oc2C)c(OC)cc1Cl ZINC000319228796 601390157 /nfs/dbraw/zinc/39/01/57/601390157.db2.gz RCEKWXYQVNSCMF-UHFFFAOYSA-N -1 0 325.748 3.569 20 0 EHADRM CSc1ccc(C)c(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000237316766 601391478 /nfs/dbraw/zinc/39/14/78/601391478.db2.gz BYQFGWFLNCLISL-DYVFJYSZSA-N -1 0 343.448 3.909 20 0 EHADRM Cc1cnn(-c2ccc(NCc3cc(C(=O)[O-])oc3C)cc2F)c1 ZINC000832987455 601391538 /nfs/dbraw/zinc/39/15/38/601391538.db2.gz SZYWFJOXHWNRON-UHFFFAOYSA-N -1 0 329.331 3.532 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1ccc(OCC(F)F)cc1 ZINC000830379423 601392295 /nfs/dbraw/zinc/39/22/95/601392295.db2.gz VQCCXRSWPZYZRG-UHFFFAOYSA-N -1 0 325.311 3.796 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1 ZINC000358614450 601394997 /nfs/dbraw/zinc/39/49/97/601394997.db2.gz YIMPBFWAQBAKLP-PLYYQAHHSA-N -1 0 345.439 3.722 20 0 EHADRM C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])c1ccc(Cl)s1 ZINC000190733352 601396767 /nfs/dbraw/zinc/39/67/67/601396767.db2.gz VSJHXXGUVYCEOC-MFKMUULPSA-N -1 0 349.839 3.543 20 0 EHADRM C[C@@H](C(=O)N1C[C@H](C(=O)[O-])c2ccccc21)c1ccc(Cl)s1 ZINC000192952691 601404064 /nfs/dbraw/zinc/40/40/64/601404064.db2.gz QIPXZQSPCOMGGI-KOLCDFICSA-N -1 0 335.812 3.720 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CSc1ncccc1Br ZINC000830394981 601408185 /nfs/dbraw/zinc/40/81/85/601408185.db2.gz SVHHWIGZXPAIJS-UHFFFAOYSA-N -1 0 342.214 3.990 20 0 EHADRM CC[C@H](c1ccccc1)N(CC)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000829027521 601422661 /nfs/dbraw/zinc/42/26/61/601422661.db2.gz OHHKYEWZUBTSFV-MRXNPFEDSA-N -1 0 332.444 3.814 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCC(c3cccc(F)c3)CC2)c1 ZINC000833327342 601427836 /nfs/dbraw/zinc/42/78/36/601427836.db2.gz IFPGOKDGCQKLCW-UHFFFAOYSA-N -1 0 327.355 3.544 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)cc1 ZINC000357427113 601428394 /nfs/dbraw/zinc/42/83/94/601428394.db2.gz UTEKIFZREVBZBX-UHFFFAOYSA-N -1 0 341.794 3.968 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c1 ZINC000833327341 601429333 /nfs/dbraw/zinc/42/93/33/601429333.db2.gz ICLBHTUBDKQQDY-UHFFFAOYSA-N -1 0 327.355 3.544 20 0 EHADRM Cc1nc(C)c(C(=O)OCc2c(C(=O)[O-])sc3cccc(F)c32)o1 ZINC000832994156 601430199 /nfs/dbraw/zinc/43/01/99/601430199.db2.gz DTLPRHLMWOCWIV-UHFFFAOYSA-N -1 0 349.339 3.700 20 0 EHADRM CC1(C)CCC[C@@H]1N(Cc1ccccc1)C(=O)CCCNC(=O)[O-] ZINC000828060069 601430889 /nfs/dbraw/zinc/43/08/89/601430889.db2.gz CVGCYUKWQHGOQO-INIZCTEOSA-N -1 0 332.444 3.642 20 0 EHADRM C[C@H](CC(=O)NC1(CC(=O)[O-])CCC1)c1ccccc1C(F)(F)F ZINC000262505494 601436452 /nfs/dbraw/zinc/43/64/52/601436452.db2.gz JAQPHGIQKMPRRB-LLVKDONJSA-N -1 0 343.345 3.713 20 0 EHADRM Cc1cc(C(=O)NC2(CC(=O)[O-])CCC2)sc1-c1ccc(F)cc1 ZINC000262148536 601438270 /nfs/dbraw/zinc/43/82/70/601438270.db2.gz MRDNYJNCHJMCDO-UHFFFAOYSA-N -1 0 347.411 3.990 20 0 EHADRM O=C([O-])c1ccccc1NCC(=O)Nc1cccc(Cl)c1Cl ZINC000833113027 601439979 /nfs/dbraw/zinc/43/99/79/601439979.db2.gz NTYIJXIBOYRSBB-UHFFFAOYSA-N -1 0 339.178 3.742 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)[C@@H](C)c2ccc(Cl)s2)c1 ZINC000832183436 601440145 /nfs/dbraw/zinc/44/01/45/601440145.db2.gz ZDDBJOVKVBZYJM-QMMMGPOBSA-N -1 0 340.784 3.817 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000829014762 601445945 /nfs/dbraw/zinc/44/59/45/601445945.db2.gz PLYLPNSUPFVDOR-INIZCTEOSA-N -1 0 327.380 3.514 20 0 EHADRM C[C@H](OC(=O)c1cccc(NC(=O)[O-])c1)c1nc2ccccc2n1C ZINC000827861434 601448430 /nfs/dbraw/zinc/44/84/30/601448430.db2.gz LWMDZTDMGYXDPX-NSHDSACASA-N -1 0 339.351 3.581 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)c3cc(C(C)C)no3)ccc2n1C ZINC000832852397 601450052 /nfs/dbraw/zinc/45/00/52/601450052.db2.gz UXBPVFXTMYEFJF-UHFFFAOYSA-N -1 0 342.351 3.516 20 0 EHADRM COc1ccc(NC(=O)[C@H](C)SCc2ccc(C(=O)[O-])cc2)cc1 ZINC000013020188 601452961 /nfs/dbraw/zinc/45/29/61/601452961.db2.gz HUDCPUIAERZDDB-LBPRGKRZSA-N -1 0 345.420 3.654 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)c1sccc1SC ZINC000830394793 601465393 /nfs/dbraw/zinc/46/53/93/601465393.db2.gz MMYQSNJZLVYBPU-UHFFFAOYSA-N -1 0 326.395 3.681 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1cccc2ccccc21 ZINC000326822710 601469692 /nfs/dbraw/zinc/46/96/92/601469692.db2.gz YMYKFTVRZJRPAT-IBGZPJMESA-N -1 0 331.371 3.664 20 0 EHADRM COc1cc(C(=O)[O-])cc(N[C@@H]2CCc3ccc(F)cc32)c1OC ZINC000831913287 601473049 /nfs/dbraw/zinc/47/30/49/601473049.db2.gz OCXCQFJCHCUGNX-CQSZACIVSA-N -1 0 331.343 3.641 20 0 EHADRM CC(C)(CC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-])c1ccccc1 ZINC000262530344 601474203 /nfs/dbraw/zinc/47/42/03/601474203.db2.gz OTLALMFLXOBVQK-IBGZPJMESA-N -1 0 337.419 3.565 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)NC1(CC(=O)[O-])CCC1 ZINC000649537172 601476483 /nfs/dbraw/zinc/47/64/83/601476483.db2.gz VNPXSZAEECHFSA-UHFFFAOYSA-N -1 0 338.835 3.984 20 0 EHADRM CC(C)OCc1ccc(NC(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000827033947 601486408 /nfs/dbraw/zinc/48/64/08/601486408.db2.gz XIMUIQCNKRTKCT-UHFFFAOYSA-N -1 0 348.443 3.720 20 0 EHADRM Cc1cccc2cc(C(=O)N3CCc4ccccc4[C@@H]3C(=O)[O-])oc21 ZINC000362672159 601487639 /nfs/dbraw/zinc/48/76/39/601487639.db2.gz YNKCHLNDWOXWPX-QGZVFWFLSA-N -1 0 335.359 3.565 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)CC/C=C\c1ccccc1 ZINC000486036198 601496280 /nfs/dbraw/zinc/49/62/80/601496280.db2.gz JPHGCCMQBOLLQG-YMUVJOOCSA-N -1 0 335.403 3.691 20 0 EHADRM C[C@H](CC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-])c1cccc(F)c1 ZINC000262555532 601496305 /nfs/dbraw/zinc/49/63/05/601496305.db2.gz WIRXDSXLIXOWSE-YJYMSZOUSA-N -1 0 341.382 3.530 20 0 EHADRM Cc1ccc(/C=C\CC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC000520269399 601499973 /nfs/dbraw/zinc/49/99/73/601499973.db2.gz RAWKPLZHYZUPFI-PKTYMYEJSA-N -1 0 327.424 3.643 20 0 EHADRM Cc1ccc(CNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c(OC(C)(C)C)c1 ZINC000180131248 601505048 /nfs/dbraw/zinc/50/50/48/601505048.db2.gz SAEJJHAUBSICPF-CABCVRRESA-N -1 0 347.455 3.680 20 0 EHADRM Cc1ccc(/C=C\CC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000832927882 601506409 /nfs/dbraw/zinc/50/64/09/601506409.db2.gz LKXZDGNMSTUBBP-KVWGNXHNSA-N -1 0 337.419 3.977 20 0 EHADRM O=C([O-])Nc1ccccc1OS(=O)(=O)c1cccc2ccccc21 ZINC000833291517 601521557 /nfs/dbraw/zinc/52/15/57/601521557.db2.gz YQQMBYIBQAJOQG-UHFFFAOYSA-N -1 0 343.360 3.697 20 0 EHADRM CCC(CC)(C(=O)N[C@H](CC(=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC000828770228 601522090 /nfs/dbraw/zinc/52/20/90/601522090.db2.gz GMXVJEJWSAMWHS-OAHLLOKOSA-N -1 0 337.847 3.767 20 0 EHADRM CC[C@@H](C(=O)N(C)CCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000236951794 601532992 /nfs/dbraw/zinc/53/29/92/601532992.db2.gz PIDLOVCLFWPGOO-CYBMUJFWSA-N -1 0 331.334 3.522 20 0 EHADRM Cc1oc(-c2ccccc2)nc1CN1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000833023732 601546346 /nfs/dbraw/zinc/54/63/46/601546346.db2.gz DMWRKJKSMJZMEO-IBGZPJMESA-N -1 0 348.402 3.834 20 0 EHADRM O=C([O-])c1sc2cccc(F)c2c1COC(=O)C1CC(F)(F)C1 ZINC000833347413 601567775 /nfs/dbraw/zinc/56/77/75/601567775.db2.gz CQMFQPNHETYFMA-UHFFFAOYSA-N -1 0 344.310 3.827 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)/C=C\SCc1ccco1)c1ccccc1 ZINC000492330032 601572089 /nfs/dbraw/zinc/57/20/89/601572089.db2.gz MCWWQWCVJWRCHO-UILAEWCASA-N -1 0 345.420 3.749 20 0 EHADRM CCOc1cc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)ccc1C ZINC000345754495 601581210 /nfs/dbraw/zinc/58/12/10/601581210.db2.gz VVNVOAANJSPMNA-INIZCTEOSA-N -1 0 347.798 3.603 20 0 EHADRM Cc1nc(Cl)sc1C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000833001022 601593193 /nfs/dbraw/zinc/59/31/93/601593193.db2.gz TUDPEVWLNRKIHR-UHFFFAOYSA-N -1 0 342.829 3.994 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1sc2cccc(Cl)c2c1Cl)C1CC1 ZINC000833125796 601596879 /nfs/dbraw/zinc/59/68/79/601596879.db2.gz QDSJILOWITUCRT-LLVKDONJSA-N -1 0 344.219 3.801 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000676025120 601600023 /nfs/dbraw/zinc/60/00/23/601600023.db2.gz KZKAEDHXHBEAHY-UHFFFAOYSA-N -1 0 335.400 3.724 20 0 EHADRM COC(=O)c1cc(NCc2csc(C(C)(C)C)n2)cc(C(=O)[O-])c1 ZINC000831322695 601606042 /nfs/dbraw/zinc/60/60/42/601606042.db2.gz KBSZGWIQMMTFBM-UHFFFAOYSA-N -1 0 348.424 3.538 20 0 EHADRM Cc1ccccc1Cc1nc(CNc2cccc(C(=O)[O-])c2C)no1 ZINC000832978247 601606317 /nfs/dbraw/zinc/60/63/17/601606317.db2.gz UUHCUILNDSCYEW-UHFFFAOYSA-N -1 0 337.379 3.588 20 0 EHADRM CN(Cc1ccc(NCc2noc(-c3ccsc3)n2)cc1)C(=O)[O-] ZINC000830840068 601607147 /nfs/dbraw/zinc/60/71/47/601607147.db2.gz JFBRRYFOTLXCBF-UHFFFAOYSA-N -1 0 344.396 3.520 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NCc2noc(-c3ccsc3)n2)c1 ZINC000833298082 601607284 /nfs/dbraw/zinc/60/72/84/601607284.db2.gz SRSWCPMRGKAOQL-UHFFFAOYSA-N -1 0 335.772 3.762 20 0 EHADRM CSc1cccc(NC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000832790812 601614344 /nfs/dbraw/zinc/61/43/44/601614344.db2.gz VLABTDLNJOLWHX-WBMJQRKESA-N -1 0 344.436 3.992 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000238084001 601614791 /nfs/dbraw/zinc/61/47/91/601614791.db2.gz JQOYIPIXVWPUIC-LSDHHAIUSA-N -1 0 329.783 3.709 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)Nc1ccccc1Cc1ccccc1)C1CC1 ZINC000327014498 601614963 /nfs/dbraw/zinc/61/49/63/601614963.db2.gz GIXMEGJXZNCLLV-GOSISDBHSA-N -1 0 338.407 3.652 20 0 EHADRM CSc1ccccc1NC(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832790234 601615212 /nfs/dbraw/zinc/61/52/12/601615212.db2.gz KUADMPDISKOJRO-LRDDRELGSA-N -1 0 344.436 3.992 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)C1(Cc2ccccc2)CC1)c1ccccc1 ZINC000826025635 601618117 /nfs/dbraw/zinc/61/81/17/601618117.db2.gz DQNBPHVYJMFQLQ-MAUKXSAKSA-N -1 0 337.419 3.588 20 0 EHADRM C[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)c1cccnc1 ZINC000827235197 601619309 /nfs/dbraw/zinc/61/93/09/601619309.db2.gz OIDOSABKYCKWNX-WBMJQRKESA-N -1 0 346.814 3.561 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc(F)ccc1F)c1ccc(Cl)cc1 ZINC000345912047 601621309 /nfs/dbraw/zinc/62/13/09/601621309.db2.gz QKIGIBPSAFHADG-AWEZNQCLSA-N -1 0 339.725 3.564 20 0 EHADRM CCCCS[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000262191689 601621483 /nfs/dbraw/zinc/62/14/83/601621483.db2.gz PYTYMOKHKIEGEE-RISCZKNCSA-N -1 0 343.876 3.894 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Nc1cccc(Oc2ccccc2)c1)C1CC1 ZINC000327000218 601621519 /nfs/dbraw/zinc/62/15/19/601621519.db2.gz BATQLKXNIJFKAG-KRWDZBQOSA-N -1 0 340.379 3.854 20 0 EHADRM C[C@@H](c1ccco1)N(C(=O)Nc1ccc(CC(=O)[O-])cc1)C1CC1 ZINC000827958541 601621839 /nfs/dbraw/zinc/62/18/39/601621839.db2.gz XCXWJVPMJYWZNV-LBPRGKRZSA-N -1 0 328.368 3.664 20 0 EHADRM C[C@H](CNC(=O)Nc1cccc(CO[C@H]2CCC[C@@H](C)C2)c1)C(=O)[O-] ZINC000828244802 601622129 /nfs/dbraw/zinc/62/21/29/601622129.db2.gz DCIPWFRMFCBEIT-CPUCHLNUSA-N -1 0 348.443 3.624 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CSc1nnc2[nH]c3ccccc3n21 ZINC000833031223 601622235 /nfs/dbraw/zinc/62/22/35/601622235.db2.gz HRWVBQRCALGTKD-UHFFFAOYSA-N -1 0 344.421 3.571 20 0 EHADRM Cc1nc(C(=O)[O-])cn1CC/C=C/c1ccc(Br)cc1 ZINC000832996517 601639880 /nfs/dbraw/zinc/63/98/80/601639880.db2.gz TZCWUVUXIMGGSG-DUXPYHPUSA-N -1 0 335.201 3.756 20 0 EHADRM Cn1cc(CCC(=O)Nc2ccc(F)c(C(=O)[O-])c2)c2ccccc21 ZINC000776630130 601644608 /nfs/dbraw/zinc/64/46/08/601644608.db2.gz BQLJYICMIVVXIO-UHFFFAOYSA-N -1 0 340.354 3.587 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CNC1(c2noc(C(C)C)n2)CCCC1 ZINC000833031879 601647387 /nfs/dbraw/zinc/64/73/87/601647387.db2.gz PQBQDKOGSPZHBZ-UHFFFAOYSA-N -1 0 349.456 3.820 20 0 EHADRM Cc1c(NC(=O)CCc2cn(C)c3ccccc23)cccc1C(=O)[O-] ZINC000678975522 601651999 /nfs/dbraw/zinc/65/19/99/601651999.db2.gz IQIFIEDEBQYWPS-UHFFFAOYSA-N -1 0 336.391 3.756 20 0 EHADRM COC(=O)c1cccc(CSCc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000831453677 601674214 /nfs/dbraw/zinc/67/42/14/601674214.db2.gz XYODPGMWKZPZHZ-UHFFFAOYSA-N -1 0 334.368 3.744 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)[C@@H]1C[C@H]1Cc1ccccc1)c1ccccc1 ZINC000833223535 601675622 /nfs/dbraw/zinc/67/56/22/601675622.db2.gz QCBVDOLYJNZJKH-QRVBRYPASA-N -1 0 337.419 3.588 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1F ZINC000326913683 601677226 /nfs/dbraw/zinc/67/72/26/601677226.db2.gz NOAPUBSVGJBBAN-GFCCVEGCSA-N -1 0 342.370 3.619 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@H]2C[C@@H]2Cc2ccccc2)cc1 ZINC000826112899 601681189 /nfs/dbraw/zinc/68/11/89/601681189.db2.gz AFYWAXVPFSMOBJ-YJBOKZPZSA-N -1 0 337.419 3.866 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)NCC(C)(C)C(=O)[O-] ZINC000827934395 601686671 /nfs/dbraw/zinc/68/66/71/601686671.db2.gz GACAORQVFMOXHO-NWDGAFQWSA-N -1 0 340.851 3.584 20 0 EHADRM Cc1ccc2c(Cl)c(C(=O)N3C[C@H](C)[C@@H](C(=O)[O-])C3)sc2c1 ZINC000832962366 601695058 /nfs/dbraw/zinc/69/50/58/601695058.db2.gz VZGQDZMDUDMDLC-ONGXEEELSA-N -1 0 337.828 3.656 20 0 EHADRM C[C@H](NC(=O)Nc1cccc(NC(=O)[O-])c1)c1ccc(F)cc1F ZINC000832835861 601696411 /nfs/dbraw/zinc/69/64/11/601696411.db2.gz IXTYOURLZDVDLS-VIFPVBQESA-N -1 0 335.310 3.937 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)c1ccc(Cl)cc1 ZINC000776650977 601698536 /nfs/dbraw/zinc/69/85/36/601698536.db2.gz QIOJTPGNWIQIRM-SNVBAGLBSA-N -1 0 347.585 3.531 20 0 EHADRM Cc1cc(C(=O)NCC(C)(C)C(=O)[O-])c(C)n1[C@H](C)c1ccccc1 ZINC000237766325 601708747 /nfs/dbraw/zinc/70/87/47/601708747.db2.gz UYWCVYDGSVLQOT-CQSZACIVSA-N -1 0 342.439 3.555 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000833031278 601714238 /nfs/dbraw/zinc/71/42/38/601714238.db2.gz HMYRXQJMJCFGQN-UONOGXRCSA-N -1 0 334.368 3.741 20 0 EHADRM CCC1(CC)CCN(C(=O)c2ccccc2S[C@@H](C)C(=O)[O-])C1 ZINC000829056186 601717361 /nfs/dbraw/zinc/71/73/61/601717361.db2.gz SYFNGNLDMSHIKS-ZDUSSCGKSA-N -1 0 335.469 3.904 20 0 EHADRM Cc1ccccc1CC1CN(C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000832981107 601718771 /nfs/dbraw/zinc/71/87/71/601718771.db2.gz YFRJVLDHQMHSCW-UHFFFAOYSA-N -1 0 342.370 3.539 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cnc(-c3ccco3)s2)cc1F ZINC000833352954 601728501 /nfs/dbraw/zinc/72/85/01/601728501.db2.gz KZMJLYFNRRUOKU-UHFFFAOYSA-N -1 0 347.323 3.597 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)Cc1coc2cc(F)ccc12 ZINC000833032267 601733367 /nfs/dbraw/zinc/73/33/67/601733367.db2.gz XHSPMQQGAKROBW-UHFFFAOYSA-N -1 0 348.351 3.926 20 0 EHADRM O=C([O-])[C@H](NC(=O)CCCc1ccc(Cl)cc1)c1ccccc1F ZINC000678989402 601744655 /nfs/dbraw/zinc/74/46/55/601744655.db2.gz PMSZWFAJWBQKJM-QGZVFWFLSA-N -1 0 349.789 3.744 20 0 EHADRM C[C@H](CC(=O)Nc1nc(CCCC(=O)[O-])cs1)c1ccccc1 ZINC000827241349 601745689 /nfs/dbraw/zinc/74/56/89/601745689.db2.gz WAWSGVPFKPBVLR-GFCCVEGCSA-N -1 0 332.425 3.683 20 0 EHADRM C/C(=C/C(=O)Nc1nc(CCCC(=O)[O-])cs1)c1ccc(F)cc1 ZINC000825724954 601748498 /nfs/dbraw/zinc/74/84/98/601748498.db2.gz YBHJDWJPRSWOMF-LUAWRHEFSA-N -1 0 348.399 3.732 20 0 EHADRM CCOc1cc(C)ccc1CNC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000830045272 601752001 /nfs/dbraw/zinc/75/20/01/601752001.db2.gz YQAWMWITVNITPH-UHFFFAOYSA-N -1 0 346.358 3.553 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(Oc2cccc(F)c2)cc1)C(=O)[O-] ZINC000826590318 601753805 /nfs/dbraw/zinc/75/38/05/601753805.db2.gz JLPUFYMZKFUYKJ-UHFFFAOYSA-N -1 0 346.358 3.850 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N(CCC(F)(F)F)CC1CC1 ZINC000833288712 601755601 /nfs/dbraw/zinc/75/56/01/601755601.db2.gz FTGSWRVHIWPOCT-UHFFFAOYSA-N -1 0 330.306 3.581 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)NCC(C)(C)C(=O)[O-] ZINC000830169795 601755841 /nfs/dbraw/zinc/75/58/41/601755841.db2.gz YOEXJEUDGFAEGL-UHFFFAOYSA-N -1 0 330.837 3.684 20 0 EHADRM O=C([O-])c1cccc(C(=O)N[C@H](c2ccccc2F)C2CCCC2)n1 ZINC000833328268 601775160 /nfs/dbraw/zinc/77/51/60/601775160.db2.gz GMWHTFDNRFOGDH-KRWDZBQOSA-N -1 0 342.370 3.580 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2cc(C(=O)[O-])ccc2F)cc1F ZINC000325417002 601778975 /nfs/dbraw/zinc/77/89/75/601778975.db2.gz VGZREWMTMAQLFG-JTQLQIEISA-N -1 0 334.322 3.854 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1[nH]c2ccccc2c1Cl)C1CCCCC1 ZINC000621585015 601785780 /nfs/dbraw/zinc/78/57/80/601785780.db2.gz OBDZQTVGHQQANT-CQSZACIVSA-N -1 0 334.803 3.585 20 0 EHADRM CN(C)C(=O)Sc1ccc(CNc2cccc(C(=O)[O-])c2)cc1 ZINC000830563711 601787198 /nfs/dbraw/zinc/78/71/98/601787198.db2.gz QSKLPNBIWBUSGA-UHFFFAOYSA-N -1 0 330.409 3.771 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cccc(-c3cccs3)c2)C[C@@H]1C(=O)[O-] ZINC000828379468 601790582 /nfs/dbraw/zinc/79/05/82/601790582.db2.gz ZCIGLWSCKGMNKM-FZMZJTMJSA-N -1 0 330.409 3.600 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000830169115 601792671 /nfs/dbraw/zinc/79/26/71/601792671.db2.gz OFQXTYNWEDHBTF-MWLCHTKSSA-N -1 0 342.848 3.636 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc2cccc(Cl)c2o1 ZINC000774071478 601801674 /nfs/dbraw/zinc/80/16/74/601801674.db2.gz FSVKNDIZEOPRCB-GDLCADMTSA-N -1 0 347.798 3.944 20 0 EHADRM CCC(CC)[C@H](NC(=O)N1C[C@H](C)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000828854886 601803841 /nfs/dbraw/zinc/80/38/41/601803841.db2.gz XUINLQOJFZLVGT-XKQJLSEDSA-N -1 0 332.444 3.526 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1cc2cccc(Cl)c2o1 ZINC000238095676 601804978 /nfs/dbraw/zinc/80/49/78/601804978.db2.gz USUGOAMAPZDEEO-UHFFFAOYSA-N -1 0 329.739 3.966 20 0 EHADRM Cc1ccccc1-n1cnnc1SCc1ccsc1C(=O)[O-] ZINC000832976578 601806283 /nfs/dbraw/zinc/80/62/83/601806283.db2.gz SLPJUQTXNUTQDV-UHFFFAOYSA-N -1 0 331.422 3.628 20 0 EHADRM Cc1ccc(-n2cnnc2SCc2ccsc2C(=O)[O-])c(C)c1 ZINC000832909809 601807025 /nfs/dbraw/zinc/80/70/25/601807025.db2.gz SGNJNHVEARHMKE-UHFFFAOYSA-N -1 0 345.449 3.936 20 0 EHADRM Cn1nc(C(C)(C)C)cc1C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000833060028 601807338 /nfs/dbraw/zinc/80/73/38/601807338.db2.gz MEKOGBXLFFFHNC-UHFFFAOYSA-N -1 0 347.440 3.607 20 0 EHADRM O=C([O-])c1cccc(NCc2cc(=O)oc3cc4c(cc23)CCC4)c1 ZINC000833331558 601807884 /nfs/dbraw/zinc/80/78/84/601807884.db2.gz MDFTYWMRVZWJMT-UHFFFAOYSA-N -1 0 335.359 3.592 20 0 EHADRM O=C([O-])c1sccc1CSc1nnc(CCC2CCCC2)[nH]1 ZINC000833348436 601809241 /nfs/dbraw/zinc/80/92/41/601809241.db2.gz VGUNTNUROOCDFT-UHFFFAOYSA-N -1 0 337.470 3.980 20 0 EHADRM O=C([O-])c1ccc(CSCc2ccc3c(c2)OCCO3)cc1F ZINC000833317104 601813630 /nfs/dbraw/zinc/81/36/30/601813630.db2.gz OPRQHDFILOLPIT-UHFFFAOYSA-N -1 0 334.368 3.729 20 0 EHADRM C[C@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000390559873 601822862 /nfs/dbraw/zinc/82/28/62/601822862.db2.gz MIEQAJHTXUDYEQ-LBPRGKRZSA-N -1 0 338.835 3.687 20 0 EHADRM Cc1cc(C)cc([C@H](C)NC(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC000659397190 601826943 /nfs/dbraw/zinc/82/69/43/601826943.db2.gz VHTZQYGVJLDUIF-HNNXBMFYSA-N -1 0 332.444 3.651 20 0 EHADRM O=C([O-])CCC1CCN(Cc2ccc(F)c(Br)c2)CC1 ZINC000050926194 601839897 /nfs/dbraw/zinc/83/98/97/601839897.db2.gz QORKSSOMFDSSNE-UHFFFAOYSA-N -1 0 344.224 3.665 20 0 EHADRM O=C([O-])CCC1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000161950909 601840989 /nfs/dbraw/zinc/84/09/89/601840989.db2.gz GCKFONQRHNRTFX-UHFFFAOYSA-N -1 0 344.224 3.665 20 0 EHADRM C[C@H](SCc1ccc(C(=O)[O-])s1)C(=O)N(C)C1CCCCC1 ZINC000827908233 601847162 /nfs/dbraw/zinc/84/71/62/601847162.db2.gz HICKDNISJPKQQE-NSHDSACASA-N -1 0 341.498 3.859 20 0 EHADRM Cc1nc(NC(=O)C2(Cc3ccccc3)CCC2)sc1C(=O)[O-] ZINC000833002628 601847440 /nfs/dbraw/zinc/84/74/40/601847440.db2.gz CBLBSXSGMQTBJY-UHFFFAOYSA-N -1 0 330.409 3.501 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)c1cncc(-c2ccccc2)c1 ZINC000833158877 601856612 /nfs/dbraw/zinc/85/66/12/601856612.db2.gz MZYIBPVJMGEODN-UHFFFAOYSA-N -1 0 336.322 3.838 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)N[C@H](c2ccccc2)C2CCC2)c1 ZINC000666525936 601868188 /nfs/dbraw/zinc/86/81/88/601868188.db2.gz HSXXIZWLMKOLML-GOSISDBHSA-N -1 0 338.407 3.725 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2[nH]c3ccccc3c2Cl)cc1F ZINC000767206768 601878339 /nfs/dbraw/zinc/87/83/39/601878339.db2.gz GPDJTXJRDFJENR-UHFFFAOYSA-N -1 0 332.718 3.911 20 0 EHADRM O=C([O-])c1ccc(CSc2nnc(CCc3ccccc3)o2)s1 ZINC000833316566 601895869 /nfs/dbraw/zinc/89/58/69/601895869.db2.gz AHZGHESVMMEONV-UHFFFAOYSA-N -1 0 346.433 3.907 20 0 EHADRM CSc1ccsc1C(=O)N[C@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000832790590 601900461 /nfs/dbraw/zinc/90/04/61/601900461.db2.gz NDBOVASDFYTBQY-MNOVXSKESA-N -1 0 327.471 3.623 20 0 EHADRM CC(C)N(C(=O)COc1ccc(Cl)cc1C(=O)[O-])C1CCCC1 ZINC000826924327 601900934 /nfs/dbraw/zinc/90/09/34/601900934.db2.gz BWIZSMFTGUKSHM-UHFFFAOYSA-N -1 0 339.819 3.597 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)c1ccccc1C(F)(F)F ZINC000833130849 601902391 /nfs/dbraw/zinc/90/23/91/601902391.db2.gz ZRYKXZCLRDMGKO-GXTWGEPZSA-N -1 0 343.345 3.859 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CNc1ccc(C(=O)[O-])cc1 ZINC000827934923 601904182 /nfs/dbraw/zinc/90/41/82/601904182.db2.gz LDYOXFQZZGTZQU-GFCCVEGCSA-N -1 0 346.814 3.670 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000739252356 601904963 /nfs/dbraw/zinc/90/49/63/601904963.db2.gz ZAXOGHGDZXCDBN-SUMWQHHRSA-N -1 0 342.395 3.811 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CNc1cccc(C(=O)[O-])c1 ZINC000827934728 601905674 /nfs/dbraw/zinc/90/56/74/601905674.db2.gz IREXYYHXUZMXFW-LBPRGKRZSA-N -1 0 346.814 3.670 20 0 EHADRM Cc1cccc2[nH]cc(CC(=O)N[C@@H]3CCCCCC[C@H]3C(=O)[O-])c21 ZINC000262084634 601910992 /nfs/dbraw/zinc/91/09/92/601910992.db2.gz HGGQPBFNRDNFHR-HZPDHXFCSA-N -1 0 342.439 3.559 20 0 EHADRM Cc1oc(CSCC(=O)N(C)[C@H]2CCCC[C@@H]2C)cc1C(=O)[O-] ZINC000833026318 601912435 /nfs/dbraw/zinc/91/24/35/601912435.db2.gz GEOYLBRBQALNCO-NHYWBVRUSA-N -1 0 339.457 3.557 20 0 EHADRM CC(C)c1cccc(O[C@H](C)C(=O)NCc2cccc(C(=O)[O-])c2)c1 ZINC000532594532 601917384 /nfs/dbraw/zinc/91/73/84/601917384.db2.gz AGRKKTWKNFWLEC-CQSZACIVSA-N -1 0 341.407 3.592 20 0 EHADRM O=C([O-])NC1CCC(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000740557987 601920206 /nfs/dbraw/zinc/92/02/06/601920206.db2.gz OXPMJETUEHZWTG-UHFFFAOYSA-N -1 0 348.296 3.609 20 0 EHADRM CC[C@H](NC(=O)[O-])C(=O)Nc1ccc(Oc2ccncc2)c(Cl)c1 ZINC000739529537 601954629 /nfs/dbraw/zinc/95/46/29/601954629.db2.gz BHYYRLOBRRQOEB-ZDUSSCGKSA-N -1 0 349.774 3.512 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2C3CCC2CC3)cc(C(F)(F)F)c1 ZINC000833281425 601960167 /nfs/dbraw/zinc/96/01/67/601960167.db2.gz ZXRAHHHNRLKWRZ-UHFFFAOYSA-N -1 0 328.290 3.562 20 0 EHADRM CCO[C@H]1CCCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000652394770 601972440 /nfs/dbraw/zinc/97/24/40/601972440.db2.gz FGXRHHLLOPEFPW-UONOGXRCSA-N -1 0 332.227 3.620 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)Nc2ccc3oc4ccccc4c3c2)C1 ZINC000569578227 601982468 /nfs/dbraw/zinc/98/24/68/601982468.db2.gz OYXKIVOPYDHCOD-IBGZPJMESA-N -1 0 338.363 3.915 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)Nc2ccc3c(c2)oc2ccccc23)C1 ZINC000263515651 601987736 /nfs/dbraw/zinc/98/77/36/601987736.db2.gz ZQECMNFNBKNVPC-IBGZPJMESA-N -1 0 338.363 3.915 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2ccc(Cl)c3cccnc23)cn1 ZINC000740712580 601994136 /nfs/dbraw/zinc/99/41/36/601994136.db2.gz XUOPRQLDCFTYDR-UHFFFAOYSA-N -1 0 342.742 3.625 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2csc(-c3ccccc3)n2)cn1 ZINC000740711489 601996146 /nfs/dbraw/zinc/99/61/46/601996146.db2.gz CJIZPDWHKRPNMU-UHFFFAOYSA-N -1 0 340.364 3.547 20 0 EHADRM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000738758459 601996233 /nfs/dbraw/zinc/99/62/33/601996233.db2.gz VHZXKMXKWRIIQV-UHFFFAOYSA-N -1 0 349.774 3.621 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)c1cccc(Cl)c1F)c1ccccc1 ZINC000391366505 602003385 /nfs/dbraw/zinc/00/33/85/602003385.db2.gz QSZBQGANJJVLQJ-CQSZACIVSA-N -1 0 335.762 3.815 20 0 EHADRM Cc1ccncc1NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000832984716 602003520 /nfs/dbraw/zinc/00/35/20/602003520.db2.gz FBRLVKRCZHTVDA-UHFFFAOYSA-N -1 0 339.273 3.751 20 0 EHADRM Cc1cccc(NC(=O)N2CCCC[C@@H]2[C@@H]2CCCN2C(=O)[O-])c1 ZINC000740172340 602004440 /nfs/dbraw/zinc/00/44/40/602004440.db2.gz XCNMVLXQJYUZSW-CVEARBPZSA-N -1 0 331.416 3.524 20 0 EHADRM CCc1cccc2c(CC(=O)OCc3ccc(C(=O)[O-])s3)c[nH]c21 ZINC000830269921 602008100 /nfs/dbraw/zinc/00/81/00/602008100.db2.gz HSDSPCUIBGGFJK-UHFFFAOYSA-N -1 0 343.404 3.776 20 0 EHADRM CC(C)[C@H](OC(=O)c1cncc(-c2ccc(Cl)cc2)c1)C(=O)[O-] ZINC000826722271 602014656 /nfs/dbraw/zinc/01/46/56/602014656.db2.gz GDSWXNGLHQPBPD-HNNXBMFYSA-N -1 0 333.771 3.668 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)c2cccc(Cl)c2F)c2ccccc21 ZINC000390932829 602016630 /nfs/dbraw/zinc/01/66/30/602016630.db2.gz JITAZTSWUKFVNA-SNVBAGLBSA-N -1 0 333.746 3.698 20 0 EHADRM CSCc1ccc(NC(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC000832771012 602037896 /nfs/dbraw/zinc/03/78/96/602037896.db2.gz UZCMJVSNLZKFPQ-UHFFFAOYSA-N -1 0 330.409 3.570 20 0 EHADRM C[C@@H](NC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1cc(Cl)ccc1Cl ZINC000263098904 602065675 /nfs/dbraw/zinc/06/56/75/602065675.db2.gz WGJIUOGUNRZQQG-PSLIRLAXSA-N -1 0 345.226 3.561 20 0 EHADRM Cc1ccc(C)c(C(=O)CCC(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000262763715 602070766 /nfs/dbraw/zinc/07/07/66/602070766.db2.gz RILYZFJMYWTTAG-UHFFFAOYSA-N -1 0 339.391 3.532 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2c[nH]cc2-c2ccc(F)cc2)c1 ZINC000532876118 602076138 /nfs/dbraw/zinc/07/61/38/602076138.db2.gz UMQYAZOTVPERIU-UHFFFAOYSA-N -1 0 338.338 3.700 20 0 EHADRM COc1ccccc1Oc1ccc(NC(=O)[C@H](C)CC(=O)[O-])cc1 ZINC000832632655 602080469 /nfs/dbraw/zinc/08/04/69/602080469.db2.gz MYLQYHVHLQKYSJ-GFCCVEGCSA-N -1 0 329.352 3.537 20 0 EHADRM Cc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)n1C ZINC000832917867 602081999 /nfs/dbraw/zinc/08/19/99/602081999.db2.gz CCZFKQHORJXWMG-CYBMUJFWSA-N -1 0 342.178 3.623 20 0 EHADRM CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(C(=O)[O-])c2C)C12CCC2 ZINC000829918849 602093511 /nfs/dbraw/zinc/09/35/11/602093511.db2.gz UTGDLGXSENLQRZ-HZPDHXFCSA-N -1 0 346.427 3.505 20 0 EHADRM COc1c(Cl)cccc1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000738071070 602096070 /nfs/dbraw/zinc/09/60/70/602096070.db2.gz GWMMODQYPNQLAS-UHFFFAOYSA-N -1 0 334.759 3.620 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)c1cccc(Cl)c1F ZINC000830390497 602100554 /nfs/dbraw/zinc/10/05/54/602100554.db2.gz KHGFEKOJOGUJGS-UHFFFAOYSA-N -1 0 326.707 3.690 20 0 EHADRM C[C@H](CC(=O)[O-])c1nc(-c2ccccc2OCc2ccccc2)no1 ZINC000827391452 602102881 /nfs/dbraw/zinc/10/28/81/602102881.db2.gz CRYCTQYIHCNAPM-CYBMUJFWSA-N -1 0 338.363 3.894 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000237395642 602107535 /nfs/dbraw/zinc/10/75/35/602107535.db2.gz SSIGWEWCTGLWNX-TZMCWYRMSA-N -1 0 339.457 3.508 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000666361681 602107656 /nfs/dbraw/zinc/10/76/56/602107656.db2.gz PDOOULWKGSKPMA-KGLIPLIRSA-N -1 0 339.457 3.508 20 0 EHADRM Cc1ccc(Br)c(C(=O)Oc2ccc(CC(=O)[O-])cc2)c1 ZINC000832910598 602109850 /nfs/dbraw/zinc/10/98/50/602109850.db2.gz UTRJCCZUIPRQJI-UHFFFAOYSA-N -1 0 349.180 3.604 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)c1ccn(C2CCCC2)n1 ZINC000833158582 602116160 /nfs/dbraw/zinc/11/61/60/602116160.db2.gz KMLKABUTFALVEN-UHFFFAOYSA-N -1 0 333.775 3.602 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)NCCCn2ccc3ccccc32)c1 ZINC000740030960 602127170 /nfs/dbraw/zinc/12/71/70/602127170.db2.gz MEGZNWHMONUOQS-UHFFFAOYSA-N -1 0 337.379 3.551 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC000827274303 602129632 /nfs/dbraw/zinc/12/96/32/602129632.db2.gz WZIMRODCAHQOBC-DYVFJYSZSA-N -1 0 345.826 3.851 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)NCc1ccccc1-c1ccc(Cl)cc1 ZINC000827297223 602140923 /nfs/dbraw/zinc/14/09/23/602140923.db2.gz YJPQYFMALWFRMQ-LBPRGKRZSA-N -1 0 331.799 3.734 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)c2cc3cc(F)ccc3[nH]2)c1 ZINC000739917750 602172867 /nfs/dbraw/zinc/17/28/67/602172867.db2.gz KVUIRPABNJKISP-UHFFFAOYSA-N -1 0 343.314 3.658 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)c1cc(-c2cccc(F)c2)no1 ZINC000740716566 602175687 /nfs/dbraw/zinc/17/56/87/602175687.db2.gz VZWNMBQNJGCNNS-UHFFFAOYSA-N -1 0 341.298 3.823 20 0 EHADRM CC(C)c1noc2ncc(C(=O)Nc3ccccc3NC(=O)[O-])cc21 ZINC000738884658 602176381 /nfs/dbraw/zinc/17/63/81/602176381.db2.gz JEZRTJKHZLUJQT-UHFFFAOYSA-N -1 0 340.339 3.688 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000740716722 602180685 /nfs/dbraw/zinc/18/06/85/602180685.db2.gz ZZSFSTAMQFVEHE-UHFFFAOYSA-N -1 0 340.257 3.927 20 0 EHADRM COc1ccc2oc(C(=O)Nc3cc(C(=O)[O-])cs3)c(C)c2c1 ZINC000580270588 602182854 /nfs/dbraw/zinc/18/28/54/602182854.db2.gz DKOQNEQWRBACKE-UHFFFAOYSA-N -1 0 331.349 3.762 20 0 EHADRM O=C([O-])c1csc(NC(=O)CCCOc2ccc(F)cc2F)c1 ZINC000191357940 602183303 /nfs/dbraw/zinc/18/33/03/602183303.db2.gz NRFJMPZRRPYQDS-UHFFFAOYSA-N -1 0 341.335 3.522 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)OC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000827333831 602186989 /nfs/dbraw/zinc/18/69/89/602186989.db2.gz PNDJPCISTZACCW-NSHDSACASA-N -1 0 334.318 3.708 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2ccccc2Oc2cccnc2)c1 ZINC000683329330 602187311 /nfs/dbraw/zinc/18/73/11/602187311.db2.gz NUUAZCLWLBFJTA-UHFFFAOYSA-N -1 0 340.360 3.886 20 0 EHADRM O=C([O-])NCCC(=O)N[C@@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000833279978 602201991 /nfs/dbraw/zinc/20/19/91/602201991.db2.gz LKKJJZREPZCEGW-MRXNPFEDSA-N -1 0 338.835 3.735 20 0 EHADRM CC[C@@]1(C)CCN(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)C1 ZINC000829050382 602203039 /nfs/dbraw/zinc/20/30/39/602203039.db2.gz QBNKEYLIJTWPFD-SFHVURJKSA-N -1 0 334.416 3.826 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000740041665 602204052 /nfs/dbraw/zinc/20/40/52/602204052.db2.gz MSNAEITYQKNUFM-UHFFFAOYSA-N -1 0 342.326 3.900 20 0 EHADRM CCC1CCC(NCc2noc(-c3ccccc3C)n2)(C(=O)[O-])CC1 ZINC000829112850 602213917 /nfs/dbraw/zinc/21/39/17/602213917.db2.gz OTYFXYGWORPWON-UHFFFAOYSA-N -1 0 343.427 3.558 20 0 EHADRM CC[C@@H]1CCN(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)C1 ZINC000829126141 602226025 /nfs/dbraw/zinc/22/60/25/602226025.db2.gz VELZFBQCCGKNTI-CYBMUJFWSA-N -1 0 342.395 3.567 20 0 EHADRM CC[C@H]1CCN(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)C1 ZINC000829126143 602226056 /nfs/dbraw/zinc/22/60/56/602226056.db2.gz VELZFBQCCGKNTI-ZDUSSCGKSA-N -1 0 342.395 3.567 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)NC2CCCCC2)c2ccccc12 ZINC000833256719 602229973 /nfs/dbraw/zinc/22/99/73/602229973.db2.gz KTWTULCFPRJRRY-UHFFFAOYSA-N -1 0 342.395 3.757 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)Nc2cc(C(=O)[O-])ccc2C)n1 ZINC000832967134 602236479 /nfs/dbraw/zinc/23/64/79/602236479.db2.gz CJCWAJODOPMPTM-KRWDZBQOSA-N -1 0 339.395 3.766 20 0 EHADRM O=C([O-])CCC(=O)N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000579428181 602239198 /nfs/dbraw/zinc/23/91/98/602239198.db2.gz LWEMDAYRQRHSSX-QGZVFWFLSA-N -1 0 335.762 3.550 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)ccc21 ZINC000740471729 602241193 /nfs/dbraw/zinc/24/11/93/602241193.db2.gz IQRAQWHCXMQPNH-JKSUJKDBSA-N -1 0 340.354 3.608 20 0 EHADRM O=C(CCSc1ccccc1)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000740360210 602241895 /nfs/dbraw/zinc/24/18/95/602241895.db2.gz VMAAPERFJACVLI-UHFFFAOYSA-N -1 0 342.420 3.848 20 0 EHADRM CN(Cc1ccccc1NC(=O)c1csc(C(C)(C)C)n1)C(=O)[O-] ZINC000739713886 602247999 /nfs/dbraw/zinc/24/79/99/602247999.db2.gz DZHUZZALDHLKCK-UHFFFAOYSA-N -1 0 347.440 3.803 20 0 EHADRM CN(Cc1ccccc1NC(=O)c1nccc2ccccc21)C(=O)[O-] ZINC000739714550 602248284 /nfs/dbraw/zinc/24/82/84/602248284.db2.gz JEHCDWMKVYQLNZ-UHFFFAOYSA-N -1 0 335.363 3.597 20 0 EHADRM CC(C)[C@@H](NC(=O)CCCNC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000736358659 602254716 /nfs/dbraw/zinc/25/47/16/602254716.db2.gz LWUDGHSHRBRUBA-CQSZACIVSA-N -1 0 346.349 3.567 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)CCC(F)(F)F)c2ccccc12 ZINC000237946841 602259376 /nfs/dbraw/zinc/25/93/76/602259376.db2.gz KXJZNSRAXBBMSM-UHFFFAOYSA-N -1 0 341.285 3.584 20 0 EHADRM C[C@@H](NC(=O)c1ccc(CNC(=O)[O-])cc1)c1ccccc1Cl ZINC000739023380 602259651 /nfs/dbraw/zinc/25/96/51/602259651.db2.gz LYHHPPHXVQBQMQ-LLVKDONJSA-N -1 0 332.787 3.599 20 0 EHADRM Cc1cscc1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000237808264 602261849 /nfs/dbraw/zinc/26/18/49/602261849.db2.gz BGQHXSUCTDNPPQ-UHFFFAOYSA-N -1 0 341.388 3.925 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)CCC2CCC2)c2ccccc12 ZINC000262768113 602262390 /nfs/dbraw/zinc/26/23/90/602262390.db2.gz LWXWSYXIEVPXQB-UHFFFAOYSA-N -1 0 327.380 3.822 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000829009337 602271481 /nfs/dbraw/zinc/27/14/81/602271481.db2.gz BVBRXTIQBVENSB-CVEARBPZSA-N -1 0 338.375 3.623 20 0 EHADRM Cc1ccc(C)c2sc(NC(=O)C3CCC(NC(=O)[O-])CC3)nc21 ZINC000740118699 602271590 /nfs/dbraw/zinc/27/15/90/602271590.db2.gz GKYGRKLUBGNPDQ-UHFFFAOYSA-N -1 0 347.440 3.678 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)NC2(Cc3ccccc3)CCC2)c1 ZINC000833150225 602275484 /nfs/dbraw/zinc/27/54/84/602275484.db2.gz FOOCLPPURKQADR-UHFFFAOYSA-N -1 0 342.370 3.811 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)CNc1ccc(C(=O)[O-])c(F)c1 ZINC000832934521 602304891 /nfs/dbraw/zinc/30/48/91/602304891.db2.gz GXSAMMZXDQUBIL-UHFFFAOYSA-N -1 0 336.750 3.536 20 0 EHADRM CC(C)CCOc1ccc(C(=O)N(C)c2ncc(C(=O)[O-])s2)cc1 ZINC000826855097 602336714 /nfs/dbraw/zinc/33/67/14/602336714.db2.gz AQCTYRBEPFFYDL-UHFFFAOYSA-N -1 0 348.424 3.543 20 0 EHADRM C[C@H](NC(=O)C1CCC(NC(=O)[O-])CC1)c1cccc2ccccc21 ZINC000738954363 602342745 /nfs/dbraw/zinc/34/27/45/602342745.db2.gz LTGBLUOIADBCGD-JEYLPNPQSA-N -1 0 340.423 3.843 20 0 EHADRM O=C([O-])c1coc(CN2CCCC[C@H]2c2nc3ccccc3o2)c1 ZINC000833339261 602342960 /nfs/dbraw/zinc/34/29/60/602342960.db2.gz IIMWRINLZSPFLH-HNNXBMFYSA-N -1 0 326.352 3.846 20 0 EHADRM CCC[C@@H](NC(=O)[O-])C(=O)Nc1cccc(C2SCCS2)c1 ZINC000739323433 602347268 /nfs/dbraw/zinc/34/72/68/602347268.db2.gz VQMUKTAJXIJQLY-GFCCVEGCSA-N -1 0 340.470 3.540 20 0 EHADRM CC(C)C[C@@H]1CCCN(C(=O)Nc2ccc(CNC(=O)[O-])cc2)C1 ZINC000826832132 602352222 /nfs/dbraw/zinc/35/22/22/602352222.db2.gz MNVJTWFRJOVFKA-HNNXBMFYSA-N -1 0 333.432 3.744 20 0 EHADRM CC(C)c1ccc([C@H](C)NC(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1 ZINC000827117658 602354357 /nfs/dbraw/zinc/35/43/57/602354357.db2.gz GPOBSFTUCMSXTI-LBPRGKRZSA-N -1 0 329.400 3.729 20 0 EHADRM Cc1ccc2c(CC(=O)Nc3ccc(C(=O)[O-])c(F)c3)coc2c1 ZINC000325955523 602356162 /nfs/dbraw/zinc/35/61/62/602356162.db2.gz NFSPUBHIDAYITG-UHFFFAOYSA-N -1 0 327.311 3.760 20 0 EHADRM Cc1cccc2c(CCC(=O)Nc3ccc(C(=O)[O-])c(F)c3)c[nH]c21 ZINC000767207587 602356576 /nfs/dbraw/zinc/35/65/76/602356576.db2.gz XUYATSFWUBIVDQ-UHFFFAOYSA-N -1 0 340.354 3.885 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1F ZINC000326089805 602356850 /nfs/dbraw/zinc/35/68/50/602356850.db2.gz NTGQBCUVJJRXBD-UHFFFAOYSA-N -1 0 343.232 3.675 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)cc1F ZINC000767206125 602357438 /nfs/dbraw/zinc/35/74/38/602357438.db2.gz NGHLAPOOAJWEJL-DGCLKSJQSA-N -1 0 335.281 3.544 20 0 EHADRM COc1cc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)ccc1OC(C)C ZINC000767199019 602359299 /nfs/dbraw/zinc/35/92/99/602359299.db2.gz BNAGIKIESQBGSQ-UHFFFAOYSA-N -1 0 347.342 3.572 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)cc1F ZINC000767206055 602359841 /nfs/dbraw/zinc/35/98/41/602359841.db2.gz LJNFPSWSKICTEK-UHFFFAOYSA-N -1 0 346.745 3.840 20 0 EHADRM Cn1cc(NC(=O)N2CCC[C@@H]2c2ccccc2Cl)cc1C(=O)[O-] ZINC000833048566 602360758 /nfs/dbraw/zinc/36/07/58/602360758.db2.gz KRVZNKKBQSBSGJ-CQSZACIVSA-N -1 0 347.802 3.746 20 0 EHADRM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000827212705 602366037 /nfs/dbraw/zinc/36/60/37/602366037.db2.gz GLWPHTHDWMEPAS-ZDUSSCGKSA-N -1 0 341.411 3.556 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)C(C)C ZINC000832984117 602374917 /nfs/dbraw/zinc/37/49/17/602374917.db2.gz VAFQXUXUSSCJAG-OAHLLOKOSA-N -1 0 345.374 3.746 20 0 EHADRM CCS[C@H]1CC[C@H](N(C)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000830149627 602381206 /nfs/dbraw/zinc/38/12/06/602381206.db2.gz JEHARAQKUOXBSK-RYUDHWBXSA-N -1 0 340.420 3.662 20 0 EHADRM CC(C)N(Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000303992677 602382179 /nfs/dbraw/zinc/38/21/79/602382179.db2.gz SPHGMFHTJDNEEH-UHFFFAOYSA-N -1 0 330.359 3.966 20 0 EHADRM CC1(C)Cc2cc(NC(=O)N3CCC(CCC(=O)[O-])CC3)ccc2O1 ZINC000656603002 602382852 /nfs/dbraw/zinc/38/28/52/602382852.db2.gz XITGHNJEPZNNMN-UHFFFAOYSA-N -1 0 346.427 3.509 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Nc2cccc(OC(F)F)c2)cc1F ZINC000833159133 602383788 /nfs/dbraw/zinc/38/37/88/602383788.db2.gz FWAAMACCKQJFFO-UHFFFAOYSA-N -1 0 340.257 3.769 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2ccc(F)cc2NC2CC2)c1 ZINC000833291822 602388960 /nfs/dbraw/zinc/38/89/60/602388960.db2.gz UYXXPWJHZZYLJS-UHFFFAOYSA-N -1 0 329.331 3.742 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1c(F)cccc1F ZINC000827670992 602389371 /nfs/dbraw/zinc/38/93/71/602389371.db2.gz APERWMQHHHWEJP-MRVPVSSYSA-N -1 0 338.285 3.685 20 0 EHADRM Cc1ccc(CC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c(Cl)c1 ZINC000832927837 602391815 /nfs/dbraw/zinc/39/18/15/602391815.db2.gz BZIMEUWXULRSFJ-ACJLOTCBSA-N -1 0 345.826 3.769 20 0 EHADRM CN(c1ccccc1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)C1CCCC1 ZINC000830888297 602393073 /nfs/dbraw/zinc/39/30/73/602393073.db2.gz JVWVBYFOZCXRGV-GJZGRUSLSA-N -1 0 344.455 3.895 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccccc2Br)cc1F ZINC000224831446 602393440 /nfs/dbraw/zinc/39/34/40/602393440.db2.gz PQTBEMATFOHJOQ-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM CCCc1cc(C(=O)N2CCC([C@H](C)NC(=O)[O-])CC2)sc1C ZINC000739371779 602407022 /nfs/dbraw/zinc/40/70/22/602407022.db2.gz BYKLNRPKUVLHCB-NSHDSACASA-N -1 0 338.473 3.517 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc([C@H](C)Cc2cccc(F)c2)n1 ZINC000738815487 602407425 /nfs/dbraw/zinc/40/74/25/602407425.db2.gz GVHNCQOARAUATA-RISCZKNCSA-N -1 0 335.379 3.910 20 0 EHADRM Cc1cccc(O[C@@H](C)c2nc([C@@H](CC(C)C)NC(=O)[O-])no2)c1 ZINC000740171959 602407993 /nfs/dbraw/zinc/40/79/93/602407993.db2.gz QLOWXIJRTQYHBU-GXTWGEPZSA-N -1 0 333.388 3.873 20 0 EHADRM COc1ccccc1/C(C)=C\c1nc([C@@H](CC(C)C)NC(=O)[O-])no1 ZINC000739954013 602408040 /nfs/dbraw/zinc/40/80/40/602408040.db2.gz FVPWSFPONOBZKQ-GAJOTYCWSA-N -1 0 345.399 3.994 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(Cc2c[nH]c3cc(F)ccc23)n1 ZINC000738824078 602409895 /nfs/dbraw/zinc/40/98/95/602409895.db2.gz OMTFQZGKTQIKJI-AWEZNQCLSA-N -1 0 346.362 3.636 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)c1nc(C2(NC(=O)[O-])CCCC2)no1 ZINC000738946028 602411289 /nfs/dbraw/zinc/41/12/89/602411289.db2.gz UYSBPEPXNCMKAE-NSHDSACASA-N -1 0 333.363 3.592 20 0 EHADRM CC[C@@H](C)Sc1ccc(NC(=O)NCCCNC(=O)[O-])c(C)c1 ZINC000739247494 602411629 /nfs/dbraw/zinc/41/16/29/602411629.db2.gz CLHIOCALCJREMT-GFCCVEGCSA-N -1 0 339.461 3.665 20 0 EHADRM O=C([O-])NC1(c2noc(-c3ccc(Cl)cc3F)n2)CCCC1 ZINC000740548148 602413080 /nfs/dbraw/zinc/41/30/80/602413080.db2.gz NTGYOKDQCZPQGF-UHFFFAOYSA-N -1 0 325.727 3.566 20 0 EHADRM C/C(=C/c1nc(C2(NC(=O)[O-])CCCC2)no1)c1ccc(F)cc1 ZINC000738504872 602413486 /nfs/dbraw/zinc/41/34/86/602413486.db2.gz MMDTWEWCVNSGEQ-KHPPLWFESA-N -1 0 331.347 3.806 20 0 EHADRM Cc1c2ccccc2oc1-c1nc(C2(NC(=O)[O-])CCCC2)no1 ZINC000740031949 602413985 /nfs/dbraw/zinc/41/39/85/602413985.db2.gz RZZFYHAXJKDHAJ-UHFFFAOYSA-N -1 0 327.340 3.828 20 0 EHADRM Cc1c2cc(F)ccc2oc1-c1nc(C2(NC(=O)[O-])CCCC2)no1 ZINC000740029975 602413989 /nfs/dbraw/zinc/41/39/89/602413989.db2.gz GORQHJLDBJNYFZ-UHFFFAOYSA-N -1 0 345.330 3.967 20 0 EHADRM O=C([O-])NC1(c2noc(Cc3cccc4ccccc43)n2)CCCC1 ZINC000740549502 602415086 /nfs/dbraw/zinc/41/50/86/602415086.db2.gz XDFOVKKGAPCPJL-UHFFFAOYSA-N -1 0 337.379 3.851 20 0 EHADRM CCN(c1ccc(-c2nc(C3(NC(=O)[O-])CCC3)no2)cc1)C(C)C ZINC000739451410 602416624 /nfs/dbraw/zinc/41/66/24/602416624.db2.gz GMTGGOKWPVMAPK-UHFFFAOYSA-N -1 0 344.415 3.618 20 0 EHADRM O=C([O-])NC1(c2noc(CSc3ccccc3Cl)n2)CCC1 ZINC000740549344 602416896 /nfs/dbraw/zinc/41/68/96/602416896.db2.gz TWVNEFKWKJPLLX-UHFFFAOYSA-N -1 0 339.804 3.662 20 0 EHADRM C[C@@H]1CCc2c(-c3nc(C4(NC(=O)[O-])CCC4)no3)csc2C1 ZINC000739116568 602417881 /nfs/dbraw/zinc/41/78/81/602417881.db2.gz ZJEKGTIESOIULO-SECBINFHSA-N -1 0 333.413 3.570 20 0 EHADRM C[C@@H]1CCCC[C@H]1NC(=S)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739099156 602431064 /nfs/dbraw/zinc/43/10/64/602431064.db2.gz LMBAGUNXAZDOCS-IUODEOHRSA-N -1 0 347.484 3.982 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)c3ccc(-c4ccccc4)[nH]3)ccc21 ZINC000740471674 602461829 /nfs/dbraw/zinc/46/18/29/602461829.db2.gz ZEHZRCQEFHOGMV-UHFFFAOYSA-N -1 0 347.374 3.975 20 0 EHADRM Cc1csc([C@H]2CCCCN2C(=O)c2ccc(NC(=O)[O-])cc2)n1 ZINC000738337215 602473859 /nfs/dbraw/zinc/47/38/59/602473859.db2.gz SFRYCUNYGXOSRR-CQSZACIVSA-N -1 0 345.424 3.909 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Oc2ccc3ccncc3c2)ccc1F ZINC000740696122 602481858 /nfs/dbraw/zinc/48/18/58/602481858.db2.gz ZITIKEAJEHDYNS-UHFFFAOYSA-N -1 0 326.283 3.683 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2ccc3ccccc3n2)ccc1F ZINC000740699118 602482149 /nfs/dbraw/zinc/48/21/49/602482149.db2.gz RCMHGYTUVZIEST-UHFFFAOYSA-N -1 0 325.299 3.716 20 0 EHADRM C[C@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739058413 602482281 /nfs/dbraw/zinc/48/22/81/602482281.db2.gz PFQCHTKTURIZBV-SNVBAGLBSA-N -1 0 334.322 3.888 20 0 EHADRM CCOc1ccccc1[C@@H](C)NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739506040 602483981 /nfs/dbraw/zinc/48/39/81/602483981.db2.gz NLICKAVBKFQUJF-LLVKDONJSA-N -1 0 346.358 3.805 20 0 EHADRM C[C@@H](c1ccco1)N(C(=O)c1ccc(F)c(NC(=O)[O-])c1)C1CC1 ZINC000739061484 602486152 /nfs/dbraw/zinc/48/61/52/602486152.db2.gz VLSPPXUUJRVVAM-JTQLQIEISA-N -1 0 332.331 3.874 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CC[C@H](c3ccccc3)C2)ccc1F ZINC000740693164 602487112 /nfs/dbraw/zinc/48/71/12/602487112.db2.gz QRTARQNJTXIBEZ-AWEZNQCLSA-N -1 0 328.343 3.545 20 0 EHADRM CSc1ccsc1C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2 ZINC000740021889 602487198 /nfs/dbraw/zinc/48/71/98/602487198.db2.gz VMNJZMCELQCCSD-UHFFFAOYSA-N -1 0 348.449 3.758 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CCCc3ccccc3C2)ccc1F ZINC000740694929 602488616 /nfs/dbraw/zinc/48/86/16/602488616.db2.gz DACRKJOCCLGEAM-UHFFFAOYSA-N -1 0 328.343 3.504 20 0 EHADRM O=C([O-])N1CCc2ccc(NC(=O)Cc3ccccc3Cl)cc2C1 ZINC000740385486 602489068 /nfs/dbraw/zinc/48/90/68/602489068.db2.gz YFKVEALLWIACCF-UHFFFAOYSA-N -1 0 344.798 3.557 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)COc2cccc3ccccc32)cc1 ZINC000740709528 602500262 /nfs/dbraw/zinc/50/02/62/602500262.db2.gz JLCLJRUWNYUPBO-UHFFFAOYSA-N -1 0 336.347 3.947 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)C1CCN(C(=O)[O-])CC1 ZINC000737893259 602505929 /nfs/dbraw/zinc/50/59/29/602505929.db2.gz BZNASFMHVUIOJC-UHFFFAOYSA-N -1 0 342.848 3.781 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)C(F)(F)c3ccccc3)ccc21 ZINC000740523073 602508987 /nfs/dbraw/zinc/50/89/87/602508987.db2.gz DIWWLXFXKHKQON-UHFFFAOYSA-N -1 0 346.333 3.848 20 0 EHADRM C[C@@]1(C(=O)Nc2cccc(CNC(=O)[O-])c2)CCCc2ccccc21 ZINC000739071317 602515309 /nfs/dbraw/zinc/51/53/09/602515309.db2.gz ZXCFVCPOQLFRNB-HXUWFJFHSA-N -1 0 338.407 3.687 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)C2(c3ccc(F)cc3)CCC2)c1 ZINC000740674402 602515662 /nfs/dbraw/zinc/51/56/62/602515662.db2.gz PPBZRROFVLXSBJ-UHFFFAOYSA-N -1 0 342.370 3.654 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2cccc(CNC(=O)[O-])c2)o1 ZINC000739078991 602516987 /nfs/dbraw/zinc/51/69/87/602516987.db2.gz BQSHRTZMSOAUFD-LRDDRELGSA-N -1 0 342.395 3.742 20 0 EHADRM Cc1cccc(NC(=O)N2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)c1C ZINC000740171718 602579947 /nfs/dbraw/zinc/57/99/47/602579947.db2.gz STPPOWUCQYLMAH-NVXWUHKLSA-N -1 0 345.443 3.690 20 0 EHADRM Cc1ccc(F)c(NC(=O)N2CCC[C@H]([C@@H]3CCCN3C(=O)[O-])C2)c1 ZINC000740126748 602581864 /nfs/dbraw/zinc/58/18/64/602581864.db2.gz FDTOJVFXFFSYQL-BBRMVZONSA-N -1 0 349.406 3.520 20 0 EHADRM CCCCCc1ccc(NC(=O)N2CCC[C@@H](CNC(=O)[O-])C2)cc1 ZINC000739327717 602581901 /nfs/dbraw/zinc/58/19/01/602581901.db2.gz XPBKLZSKRUVPNW-INIZCTEOSA-N -1 0 347.459 3.931 20 0 EHADRM CC(C)CCc1ccccc1NC(=O)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738819790 602593542 /nfs/dbraw/zinc/59/35/42/602593542.db2.gz BOGMDDNCOORUNG-OAHLLOKOSA-N -1 0 347.459 3.739 20 0 EHADRM CCC[C@@H](NC(=O)Nc1ccc(NC(=O)[O-])cc1)c1ccccn1 ZINC000736974733 602598826 /nfs/dbraw/zinc/59/88/26/602598826.db2.gz SYUXHYHIIJFWAS-OAHLLOKOSA-N -1 0 328.372 3.834 20 0 EHADRM Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000740154470 602600298 /nfs/dbraw/zinc/60/02/98/602600298.db2.gz PWFSHEQCYWEWKE-INIZCTEOSA-N -1 0 325.368 3.894 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(NC(=O)[O-])cc1)c1c(F)cccc1F ZINC000738988101 602600768 /nfs/dbraw/zinc/60/07/68/602600768.db2.gz MLLWSZHTNHSXMX-VIFPVBQESA-N -1 0 335.310 3.937 20 0 EHADRM CN(C(=O)Nc1ccc(NC(=O)[O-])cc1)[C@H]1CCc2ccccc21 ZINC000739577371 602601638 /nfs/dbraw/zinc/60/16/38/602601638.db2.gz XYSGCYQSCFLOKK-INIZCTEOSA-N -1 0 325.368 3.928 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N2CCC[C@H]2c2cccnc2)cc1 ZINC000740710735 602602678 /nfs/dbraw/zinc/60/26/78/602602678.db2.gz YHBYQOXEEAVFJL-HNNXBMFYSA-N -1 0 326.356 3.541 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)NC[C@@H]3CC=CCC3)ccc21 ZINC000740413084 602605441 /nfs/dbraw/zinc/60/54/41/602605441.db2.gz LQIZFLBBOYLGPJ-CYBMUJFWSA-N -1 0 329.400 3.595 20 0 EHADRM CC[C@H]1CCCCN1C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739268218 602606972 /nfs/dbraw/zinc/60/69/72/602606972.db2.gz MIPMEKQAGDFUED-HNNXBMFYSA-N -1 0 331.416 3.914 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)Nc1c(F)cccc1F)c1ccccc1 ZINC000740541376 602643173 /nfs/dbraw/zinc/64/31/73/602643173.db2.gz YCFYQBYSTSODQE-CQSZACIVSA-N -1 0 334.322 3.692 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)OC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000739278296 602651476 /nfs/dbraw/zinc/65/14/76/602651476.db2.gz MXLOQTXEUIVYRS-LBEMJPCMSA-N -1 0 349.452 3.774 20 0 EHADRM O=C([O-])NCc1cccc(Oc2ncnc3c4ccccc4oc32)c1 ZINC000740681821 602687561 /nfs/dbraw/zinc/68/75/61/602687561.db2.gz WSDWSAMAMWQTET-UHFFFAOYSA-N -1 0 335.319 3.936 20 0 EHADRM CCC[C@](C)(NC(=O)[O-])C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000739296282 602689491 /nfs/dbraw/zinc/68/94/91/602689491.db2.gz OVHHYJASVUSEEZ-SFHVURJKSA-N -1 0 343.383 3.639 20 0 EHADRM O=C([O-])N1CCC(CC(=O)Nc2cc(C(F)(F)F)ccc2F)CC1 ZINC000740352163 602692827 /nfs/dbraw/zinc/69/28/27/602692827.db2.gz YGHQMHIHLDNHGM-UHFFFAOYSA-N -1 0 348.296 3.563 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)OCc2ncc(-c3cccs3)o2)cc1 ZINC000738664424 602710229 /nfs/dbraw/zinc/71/02/29/602710229.db2.gz ODUQUFWIUDGIMQ-UHFFFAOYSA-N -1 0 344.348 3.850 20 0 EHADRM COc1ccccc1C/C(C)=C\C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738123824 602726799 /nfs/dbraw/zinc/72/67/99/602726799.db2.gz JILXUEXHIGVDKY-SEYXRHQNSA-N -1 0 340.379 3.913 20 0 EHADRM COc1cccc(C[C@H](C)NC(=O)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000738095282 602739183 /nfs/dbraw/zinc/73/91/83/602739183.db2.gz RXLAJFALZFXARW-LBPRGKRZSA-N -1 0 343.383 3.538 20 0 EHADRM COc1ccc(NC(=O)NC/C=C/c2ccccc2)cc1NC(=O)[O-] ZINC000739919289 602739511 /nfs/dbraw/zinc/73/95/11/602739511.db2.gz DANOUNAOWHWWHK-VMPITWQZSA-N -1 0 341.367 3.620 20 0 EHADRM C[C@@H](CC(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1)NC(=O)[O-] ZINC000824564225 602761799 /nfs/dbraw/zinc/76/17/99/602761799.db2.gz GNXSXHFTXGKATG-KBPBESRZSA-N -1 0 346.452 3.884 20 0 EHADRM CC(C)(C)Oc1ccccc1NC(=O)C1CCC(NC(=O)[O-])CC1 ZINC000738726839 602779939 /nfs/dbraw/zinc/77/99/39/602779939.db2.gz VTYBFKXDTIKCCM-UHFFFAOYSA-N -1 0 334.416 3.629 20 0 EHADRM CCc1c(C(=O)Nc2cc(NC(=O)[O-])ccc2F)cnn1C(C)(C)C ZINC000739535990 602783311 /nfs/dbraw/zinc/78/33/11/602783311.db2.gz KRQJNADJTGDZNA-UHFFFAOYSA-N -1 0 348.378 3.682 20 0 EHADRM CC[C@H](C(=O)Nc1cc(NC(=O)[O-])ccc1F)c1c(C)noc1C ZINC000739213716 602783768 /nfs/dbraw/zinc/78/37/68/602783768.db2.gz KHFAMWGIYWABMR-NSHDSACASA-N -1 0 335.335 3.653 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)CCC(C)(C)NC(=O)[O-] ZINC000739439469 602785064 /nfs/dbraw/zinc/78/50/64/602785064.db2.gz KFUWSXUKCPDKOJ-UHFFFAOYSA-N -1 0 332.853 3.576 20 0 EHADRM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCC(C)(C)NC(=O)[O-] ZINC000739705189 602785431 /nfs/dbraw/zinc/78/54/31/602785431.db2.gz NNHCFPLIZUKPBF-UHFFFAOYSA-N -1 0 347.242 3.778 20 0 EHADRM COc1ccc2ccc(OC(=O)CCC(C)(C)NC(=O)[O-])cc2c1 ZINC000739942408 602786961 /nfs/dbraw/zinc/78/69/61/602786961.db2.gz PUHPCXVEZVIKFM-UHFFFAOYSA-N -1 0 331.368 3.580 20 0 EHADRM CC(C)(CCC(=O)Nc1nc2cc(Cl)ccc2s1)NC(=O)[O-] ZINC000738744190 602787502 /nfs/dbraw/zinc/78/75/02/602787502.db2.gz GFUOBKZTMAJGJZ-UHFFFAOYSA-N -1 0 341.820 3.715 20 0 EHADRM CC(C)C[C@@H](CNC(=O)[O-])Nc1nc(C(F)F)nc2ccccc21 ZINC000738813072 602812922 /nfs/dbraw/zinc/81/29/22/602812922.db2.gz XJUUJQIWHSLTCP-JTQLQIEISA-N -1 0 338.358 3.662 20 0 EHADRM Cc1ccc(C[C@@H](C)N(C)C(=O)Cc2ccc(NC(=O)[O-])cc2)cc1 ZINC000740121603 602816275 /nfs/dbraw/zinc/81/62/75/602816275.db2.gz GYIQNTHELPYENT-OAHLLOKOSA-N -1 0 340.423 3.717 20 0 EHADRM CC(C)(CCC(=O)N1CCC[C@@H](c2ccccc2)CC1)NC(=O)[O-] ZINC000738738786 602831423 /nfs/dbraw/zinc/83/14/23/602831423.db2.gz KFNWELPEUOUHKF-MRXNPFEDSA-N -1 0 332.444 3.609 20 0 EHADRM CCO[C@@H](C)c1ncc(C(=O)Nc2ccccc2NC(=O)[O-])s1 ZINC000827361794 602834857 /nfs/dbraw/zinc/83/48/57/602834857.db2.gz KUFGFZSCGJVXEC-VIFPVBQESA-N -1 0 335.385 3.583 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N2CCC([C@@H](C)NC(=O)[O-])CC2)cc1 ZINC000739544501 602835536 /nfs/dbraw/zinc/83/55/36/602835536.db2.gz IVPNXBAKTZTFAV-HUUCEWRRSA-N -1 0 346.471 3.637 20 0 EHADRM CCCCC[C@H](NC(=O)N1CC[C@@H](NC(=O)[O-])[C@@H](C)C1)C(C)(C)C ZINC000739327857 602837037 /nfs/dbraw/zinc/83/70/37/602837037.db2.gz AJUGJHAUVWLNJG-ZNMIVQPWSA-N -1 0 341.496 3.669 20 0 EHADRM Cc1ccc2c(c1C)OC[C@H]2NC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000830211602 602841973 /nfs/dbraw/zinc/84/19/73/602841973.db2.gz VKPNIBZRILSPOR-MRXNPFEDSA-N -1 0 340.379 3.565 20 0 EHADRM Cc1ccccc1-n1nccc1NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000738323607 602844093 /nfs/dbraw/zinc/84/40/93/602844093.db2.gz LILBJBUJKDJNNE-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM CCC[C@H](CC1CCCCC1)C(=O)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739307081 602847703 /nfs/dbraw/zinc/84/77/03/602847703.db2.gz SXQFEVHRPLBSTN-DLBZAZTESA-N -1 0 338.492 3.831 20 0 EHADRM Cc1ccc(C(=O)NCCCOc2ccccc2C)cc1NC(=O)[O-] ZINC000830216536 602864047 /nfs/dbraw/zinc/86/40/47/602864047.db2.gz IWQJDELQBKYYHQ-UHFFFAOYSA-N -1 0 342.395 3.592 20 0 EHADRM COc1ccccc1[C@H](NC(=O)[O-])C(=O)Nc1cc(Cl)ccc1C ZINC000739966213 602884498 /nfs/dbraw/zinc/88/44/98/602884498.db2.gz AYSXMYOOYISFFU-HNNXBMFYSA-N -1 0 348.786 3.604 20 0 EHADRM CC[C@@H](OC(=O)Cc1ccc(NC(=O)[O-])cc1)C(=O)c1ccccc1 ZINC000739280261 602889327 /nfs/dbraw/zinc/88/93/27/602889327.db2.gz UXMFEOHQQSLXJY-MRXNPFEDSA-N -1 0 341.363 3.524 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2Cl)CC[C@H]1NC(=O)[O-] ZINC000739145791 602908203 /nfs/dbraw/zinc/90/82/03/602908203.db2.gz KESYEIKTNUHRLC-LDYMZIIASA-N -1 0 346.214 3.503 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC[C@H]1NC(=O)[O-] ZINC000739150171 602908902 /nfs/dbraw/zinc/90/89/02/602908902.db2.gz VMPPKKXBHUPMSR-QPUJVOFHSA-N -1 0 346.214 3.503 20 0 EHADRM CCCCCc1ccc(NC(=O)N2CC[C@@H](NC(=O)[O-])[C@H](C)C2)cc1 ZINC000739327684 602910130 /nfs/dbraw/zinc/91/01/30/602910130.db2.gz WKPVCPLXDVRNGJ-RHSMWYFYSA-N -1 0 347.459 3.929 20 0 EHADRM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)c1ccc(CNC(=O)[O-])o1 ZINC000830555772 602921692 /nfs/dbraw/zinc/92/16/92/602921692.db2.gz ZLCHJXSAUQNSIM-KRWDZBQOSA-N -1 0 344.411 3.825 20 0 EHADRM CC(C)(CCC(=O)Oc1cccc(Oc2ccccn2)c1)NC(=O)[O-] ZINC000738747715 602925875 /nfs/dbraw/zinc/92/58/75/602925875.db2.gz SDADYCFTESEKEE-UHFFFAOYSA-N -1 0 344.367 3.606 20 0 EHADRM CCc1ccccc1CNC(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000739547975 602926424 /nfs/dbraw/zinc/92/64/24/602926424.db2.gz QDSSABOCDDOADB-UHFFFAOYSA-N -1 0 341.411 3.681 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000738963906 602936723 /nfs/dbraw/zinc/93/67/23/602936723.db2.gz YQDPYGCSNZPPJS-PLMOITTCSA-N -1 0 345.226 3.607 20 0 EHADRM CCN(C(=O)c1ccc(C)c(NC(=O)[O-])c1)[C@@H](C)c1cccnc1 ZINC000826983172 602945861 /nfs/dbraw/zinc/94/58/61/602945861.db2.gz FSZLLHPJZUCHOB-ZDUSSCGKSA-N -1 0 327.384 3.703 20 0 EHADRM C[C@H](C(=O)N1CCC[C@@H]1c1ccco1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823670519 602950223 /nfs/dbraw/zinc/95/02/23/602950223.db2.gz XQEXMKZEAJTEHJ-YSVLISHTSA-N -1 0 342.395 3.588 20 0 EHADRM CC(C)(CC(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1)NC(=O)[O-] ZINC000738736321 602950557 /nfs/dbraw/zinc/95/05/57/602950557.db2.gz YNJOLXWHESISHG-UHFFFAOYSA-N -1 0 343.383 3.594 20 0 EHADRM CC(C)c1ccc(CCCNC(=O)c2ccc(CNC(=O)[O-])o2)cc1 ZINC000824463121 602953607 /nfs/dbraw/zinc/95/36/07/602953607.db2.gz BOERINGXXOTNLB-UHFFFAOYSA-N -1 0 344.411 3.533 20 0 EHADRM COc1ccc(NC(=O)[C@H](SC)c2ccccc2)cc1NC(=O)[O-] ZINC000739916612 602954878 /nfs/dbraw/zinc/95/48/78/602954878.db2.gz OKINIZAJPHRUCM-OAHLLOKOSA-N -1 0 346.408 3.828 20 0 EHADRM O=C(C[C@@H]1CCCN1C(=O)[O-])Nc1ccc(COC2CCCC2)cc1 ZINC000831340697 602979616 /nfs/dbraw/zinc/97/96/16/602979616.db2.gz ZTGQQPISGARROZ-INIZCTEOSA-N -1 0 346.427 3.617 20 0 EHADRM CC(C)[C@@H]1CCCCN1C(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000738802945 602980118 /nfs/dbraw/zinc/98/01/18/602980118.db2.gz ZLTZEZKQLPHKQU-IRXDYDNUSA-N -1 0 332.444 3.813 20 0 EHADRM O=C([O-])NC1CCC(C(=O)Nc2ccccc2CC(F)(F)F)CC1 ZINC000740552306 602994867 /nfs/dbraw/zinc/99/48/67/602994867.db2.gz JQMBPOQETQLOQK-UHFFFAOYSA-N -1 0 344.333 3.556 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(-c2cccc3cccnc32)n1 ZINC000738817455 602998784 /nfs/dbraw/zinc/99/87/84/602998784.db2.gz RVXJRNZTDFGZJT-CYBMUJFWSA-N -1 0 326.356 3.640 20 0 EHADRM CCO[C@H](C)c1ncc(C(=O)Oc2ccc(NC(=O)[O-])cc2)s1 ZINC000827361427 602999315 /nfs/dbraw/zinc/99/93/15/602999315.db2.gz IFBKWZUFRDFDBZ-SECBINFHSA-N -1 0 336.369 3.550 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc([C@@H](C)OCc2ccccc2)n1 ZINC000738815011 603001435 /nfs/dbraw/zinc/00/14/35/603001435.db2.gz FFVPPEGTJNWOKF-TZMCWYRMSA-N -1 0 333.388 3.702 20 0 EHADRM O=C([O-])NC1(c2noc(/C=C/c3ccc(Cl)s3)n2)CCCC1 ZINC000740550395 603003945 /nfs/dbraw/zinc/00/39/45/603003945.db2.gz VVZMMCRPRHDHDR-GQCTYLIASA-N -1 0 339.804 3.992 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-])c1cccc(Cl)c1Cl ZINC000738958032 603004851 /nfs/dbraw/zinc/00/48/51/603004851.db2.gz FMELYAMTTLQCCX-XRNSZHNASA-N -1 0 345.226 3.607 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc(COc2cccc3ccccc32)n1 ZINC000738914214 603015520 /nfs/dbraw/zinc/01/55/20/603015520.db2.gz PBNUPZXEYKTSOF-GFCCVEGCSA-N -1 0 341.367 3.515 20 0 EHADRM CCSc1cccc(NC(=O)[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000739515897 603033199 /nfs/dbraw/zinc/03/31/99/603033199.db2.gz CDKAVEOFPQOOIF-OAHLLOKOSA-N -1 0 330.409 3.746 20 0 EHADRM Cc1ccccc1C[C@H](C)NC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000740183627 603037990 /nfs/dbraw/zinc/03/79/90/603037990.db2.gz LPZXOLHYAZTACN-LBPRGKRZSA-N -1 0 345.374 3.977 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)cc1 ZINC000827901083 603039329 /nfs/dbraw/zinc/03/93/29/603039329.db2.gz UPVIVFWWDBHTFY-ZIAGYGMSSA-N -1 0 347.317 3.788 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)C(C)(C)c2cccc(F)c2)cc1 ZINC000827901785 603040792 /nfs/dbraw/zinc/04/07/92/603040792.db2.gz ZXHPQSNGBJSIDH-UHFFFAOYSA-N -1 0 331.343 3.823 20 0 EHADRM Cc1cc([C@H]2CCCN2C(=O)Nc2cc(NC(=O)[O-])ccc2F)no1 ZINC000740077846 603042598 /nfs/dbraw/zinc/04/25/98/603042598.db2.gz CHNRBPJXFSBPKT-CQSZACIVSA-N -1 0 348.334 3.581 20 0 EHADRM Cc1ccc(CNC(=O)Nc2cc(NC(=O)[O-])ccc2F)c(C)c1 ZINC000740130547 603042958 /nfs/dbraw/zinc/04/29/58/603042958.db2.gz SZNSVWKNXSYHDQ-UHFFFAOYSA-N -1 0 331.347 3.854 20 0 EHADRM COc1ccc2cc(C(=O)Oc3ccc(N(C)C(=O)[O-])cc3)[nH]c2c1 ZINC000829525982 603050458 /nfs/dbraw/zinc/05/04/58/603050458.db2.gz FAGNRHXBDCCJBN-UHFFFAOYSA-N -1 0 340.335 3.510 20 0 EHADRM Cc1[nH]c2ccccc2c1CC(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000829828123 603050641 /nfs/dbraw/zinc/05/06/41/603050641.db2.gz LOTZPQCICYKWAK-UHFFFAOYSA-N -1 0 338.363 3.739 20 0 EHADRM Cc1csc([C@@H]2CCCN(C(=O)c3cccc(NC(=O)[O-])c3)C2)n1 ZINC000738816426 603073561 /nfs/dbraw/zinc/07/35/61/603073561.db2.gz LKSBJACNLMWQRG-CYBMUJFWSA-N -1 0 345.424 3.561 20 0 EHADRM O=C([O-])N1CCCC[C@H]1C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000740460850 603080231 /nfs/dbraw/zinc/08/02/31/603080231.db2.gz HFENMWVSRAADDV-KRWDZBQOSA-N -1 0 346.427 3.617 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)Nc2cccc(CC(F)(F)F)c2)C1 ZINC000832325879 603082667 /nfs/dbraw/zinc/08/26/67/603082667.db2.gz OMQWBNAWYKADPE-DGCLKSJQSA-N -1 0 344.333 3.556 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)NC1CCC(NC(=O)[O-])CC1)C(C)C ZINC000740188653 603099492 /nfs/dbraw/zinc/09/94/92/603099492.db2.gz XXRJEJMJVSKTGW-DQPZFDDXSA-N -1 0 347.459 3.570 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CC[C@H]2c2cccc(F)c2)ccc1F ZINC000832817788 603101562 /nfs/dbraw/zinc/10/15/62/603101562.db2.gz ORGZEXUKSNRZOX-HNNXBMFYSA-N -1 0 332.306 3.642 20 0 EHADRM CC[C@H](c1ccccc1)N(CC)C(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000739267738 603103248 /nfs/dbraw/zinc/10/32/48/603103248.db2.gz ZBGBEJAXGIAVFM-OFLPRAFFSA-N -1 0 347.459 3.748 20 0 EHADRM CC[C@H]1CCCCCN1C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739273706 603138624 /nfs/dbraw/zinc/13/86/24/603138624.db2.gz VFXKHFXSVRDYMT-HNNXBMFYSA-N -1 0 331.416 3.914 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000740563252 603150395 /nfs/dbraw/zinc/15/03/95/603150395.db2.gz JMJPIZXGTAJYQF-DTWKUNHWSA-N -1 0 331.199 3.758 20 0 EHADRM CSc1cccc(NC(=O)[C@@H](C)Oc2ccc(NC(=O)[O-])cc2)c1 ZINC000829771681 603157272 /nfs/dbraw/zinc/15/72/72/603157272.db2.gz DWYFDFATSSFJCX-LLVKDONJSA-N -1 0 346.408 3.904 20 0 EHADRM Cc1ccccc1CCC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000830566610 603174274 /nfs/dbraw/zinc/17/42/74/603174274.db2.gz DBUGZRSYSTUYPN-AWEZNQCLSA-N -1 0 326.396 3.895 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)[C@H](C)Oc2cccc(F)c2)cc1 ZINC000825617504 603175233 /nfs/dbraw/zinc/17/52/33/603175233.db2.gz QGRTXBCIOABBHI-NEPJUHHUSA-N -1 0 346.358 3.560 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)CCOCc2ccccc2)cc1 ZINC000825415375 603180795 /nfs/dbraw/zinc/18/07/95/603180795.db2.gz FWMFZWVSYMJSOA-CQSZACIVSA-N -1 0 342.395 3.561 20 0 EHADRM COc1ccc(/C=C/C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)cc1 ZINC000829331368 603181844 /nfs/dbraw/zinc/18/18/44/603181844.db2.gz IHBLWWVOPBZLCV-YFTXEMMHSA-N -1 0 340.379 3.676 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)[C@@H](C)Cc2cccc(F)c2)cc1 ZINC000825022338 603190635 /nfs/dbraw/zinc/19/06/35/603190635.db2.gz DQEDXACGRXZRHY-QWHCGFSZSA-N -1 0 344.386 3.972 20 0 EHADRM Cc1ccc(C)c(CC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)c1 ZINC000830268118 603191870 /nfs/dbraw/zinc/19/18/70/603191870.db2.gz KKWNPIORDHNEKG-CQSZACIVSA-N -1 0 326.396 3.813 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)N[C@H](CNC(=O)[O-])CC(C)C ZINC000740160319 603196459 /nfs/dbraw/zinc/19/64/59/603196459.db2.gz UWMSPPWTJSIOKW-AWEZNQCLSA-N -1 0 335.448 3.922 20 0 EHADRM COc1ccc(CN(C)C(=O)c2ccc(NC(=O)[O-])cc2Cl)cc1 ZINC000739910470 603203043 /nfs/dbraw/zinc/20/30/43/603203043.db2.gz WMNZSXAYGKAWQE-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM Cc1cc(Nc2ccc([C@H](C)NC(=O)[O-])cc2)nc(-c2ccccn2)n1 ZINC000830123313 603206721 /nfs/dbraw/zinc/20/67/21/603206721.db2.gz UDPNIGFRMQMFTJ-ZDUSSCGKSA-N -1 0 349.394 3.919 20 0 EHADRM C[C@@H](C(=O)NCc1ccc(Cl)cc1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823706143 603209893 /nfs/dbraw/zinc/20/98/93/603209893.db2.gz YYHLXWGYHJWNFV-WBMJQRKESA-N -1 0 346.814 3.601 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)C1 ZINC000740180331 603211220 /nfs/dbraw/zinc/21/12/20/603211220.db2.gz FLAGQRTYIQNRIX-MWDXBVQZSA-N -1 0 344.455 3.526 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NCC2(c3ccccc3)CC2)c(Cl)c1 ZINC000740697350 603211688 /nfs/dbraw/zinc/21/16/88/603211688.db2.gz CHEWFKAIPUXKDC-UHFFFAOYSA-N -1 0 344.798 3.892 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000832706443 603212393 /nfs/dbraw/zinc/21/23/93/603212393.db2.gz VFCYJENZORFXQW-UHFFFAOYSA-N -1 0 329.139 3.606 20 0 EHADRM COc1ccc(NC(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1Cl ZINC000829474651 603219917 /nfs/dbraw/zinc/21/99/17/603219917.db2.gz LNPHNDGGEDZMKV-UHFFFAOYSA-N -1 0 334.759 3.999 20 0 EHADRM COc1ccc([C@@H](C)CCNC(=O)c2ccc(NC(=O)[O-])cc2)cc1 ZINC000737949481 603223308 /nfs/dbraw/zinc/22/33/08/603223308.db2.gz MYORDBBQGHPYSA-ZDUSSCGKSA-N -1 0 342.395 3.709 20 0 EHADRM Cc1ccc2c(c1)OCCN2C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000740153322 603226553 /nfs/dbraw/zinc/22/65/53/603226553.db2.gz LKJALFVPPMYBAZ-UHFFFAOYSA-N -1 0 346.770 3.778 20 0 EHADRM Cc1ccccc1CN(C)C(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000830573501 603227919 /nfs/dbraw/zinc/22/79/19/603227919.db2.gz MXASJFMKOTUYJV-MAUKXSAKSA-N -1 0 340.423 3.598 20 0 EHADRM Cc1ccc(CN(C)C(=O)[C@H](C)[C@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000830302859 603230098 /nfs/dbraw/zinc/23/00/98/603230098.db2.gz PMHCEGRAIPRNBP-QAPCUYQASA-N -1 0 340.423 3.598 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@@H]2CCc3c2cccc3F)c(Cl)c1 ZINC000740699631 603231331 /nfs/dbraw/zinc/23/13/31/603231331.db2.gz UTGYDPJPXVROBS-OAHLLOKOSA-N -1 0 348.761 3.986 20 0 EHADRM C[C@@H](NC(=O)[O-])C1CCN(c2ccnc3ccc(Cl)cc32)CC1 ZINC000739016557 603231758 /nfs/dbraw/zinc/23/17/58/603231758.db2.gz IRTAOMSOYGGPOW-LLVKDONJSA-N -1 0 333.819 3.761 20 0 EHADRM O=C([O-])N1CC[C@@H](C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)C1 ZINC000740463792 603242918 /nfs/dbraw/zinc/24/29/18/603242918.db2.gz WLMOQNAUNSEMOP-GFCCVEGCSA-N -1 0 346.333 3.570 20 0 EHADRM CC(=O)c1ccc(NC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1 ZINC000823632538 603243180 /nfs/dbraw/zinc/24/31/80/603243180.db2.gz KVBJHNLBGRDXCG-LLVKDONJSA-N -1 0 341.367 3.862 20 0 EHADRM CCCCc1noc([C@H](C)Nc2cccc3c2CCN(C(=O)[O-])C3)n1 ZINC000739340494 603244467 /nfs/dbraw/zinc/24/44/67/603244467.db2.gz DBUIHXNPOOJGDD-LBPRGKRZSA-N -1 0 344.415 3.621 20 0 EHADRM Cc1c(Cl)cccc1NC(=O)NC[C@H](NC(=O)[O-])c1ccccc1 ZINC000829872547 603247683 /nfs/dbraw/zinc/24/76/83/603247683.db2.gz XELBAGJIBSWRFD-HNNXBMFYSA-N -1 0 347.802 3.779 20 0 EHADRM Cc1noc(C)c1[C@H](C)NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000740255789 603250571 /nfs/dbraw/zinc/25/05/71/603250571.db2.gz CYVPUZJSNNNWIT-ZETCQYMHSA-N -1 0 337.763 3.526 20 0 EHADRM CSc1ccc(NC(=O)[C@@H](C)[C@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000829767007 603251224 /nfs/dbraw/zinc/25/12/24/603251224.db2.gz XHGWVCKVMHYGCE-LRDDRELGSA-N -1 0 344.436 3.992 20 0 EHADRM O=C([O-])N1CCC[C@H]1[C@@H]1CCCN(C(=O)C2CCCCCCC2)C1 ZINC000740347686 603253499 /nfs/dbraw/zinc/25/34/99/603253499.db2.gz PSGQAZUPPVIKJM-SJORKVTESA-N -1 0 336.476 3.728 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)NC2(c3cccc(Cl)c3)CC2)c1 ZINC000740028840 603261698 /nfs/dbraw/zinc/26/16/98/603261698.db2.gz IKALYCYWNNJFKS-UHFFFAOYSA-N -1 0 330.771 3.849 20 0 EHADRM COc1ccc(NC(=O)NCc2c(C)cccc2F)cc1NC(=O)[O-] ZINC000829469232 603271560 /nfs/dbraw/zinc/27/15/60/603271560.db2.gz IDCIKEUTVIPTCF-UHFFFAOYSA-N -1 0 347.346 3.554 20 0 EHADRM Cc1ccc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1NC(=O)[O-] ZINC000830204538 603282668 /nfs/dbraw/zinc/28/26/68/603282668.db2.gz HBCWTFSTPBMDNF-NWDGAFQWSA-N -1 0 344.333 3.936 20 0 EHADRM O=C([O-])N1CCc2c(cccc2NC(=O)N2CCCCCCC2)C1 ZINC000740529556 603292291 /nfs/dbraw/zinc/29/22/91/603292291.db2.gz MUWXTYGGWOYKHL-UHFFFAOYSA-N -1 0 331.416 3.521 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)cc1 ZINC000738662079 603294733 /nfs/dbraw/zinc/29/47/33/603294733.db2.gz RFZUIFQXDKQZHO-CQSZACIVSA-N -1 0 342.370 3.620 20 0 EHADRM O=C([O-])N1CCCN(C(=O)c2ccccc2Cl)c2ccccc21 ZINC000740515870 603299065 /nfs/dbraw/zinc/29/90/65/603299065.db2.gz MCARNDVKKUMLEE-UHFFFAOYSA-N -1 0 330.771 3.875 20 0 EHADRM O=C([O-])N1CCC(N(C(=O)c2ccsc2)c2ccccc2F)CC1 ZINC000740500622 603300069 /nfs/dbraw/zinc/30/00/69/603300069.db2.gz PZJMAKSFVXIBRY-UHFFFAOYSA-N -1 0 348.399 3.676 20 0 EHADRM CC[C@H](NC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)c1sccc1C ZINC000739529785 603300595 /nfs/dbraw/zinc/30/05/95/603300595.db2.gz SKYMCUMJLPOTFF-GJZGRUSLSA-N -1 0 346.452 3.503 20 0 EHADRM O=C([O-])NC[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(C(F)F)c1 ZINC000832514836 603302487 /nfs/dbraw/zinc/30/24/87/603302487.db2.gz OOMROTDQYPZWBK-WCQYABFASA-N -1 0 341.358 3.572 20 0 EHADRM O=C([O-])NC[C@H]1CCCC[C@H]1NC(=O)Nc1cccc(C(F)F)c1 ZINC000832514835 603302956 /nfs/dbraw/zinc/30/29/56/603302956.db2.gz OOMROTDQYPZWBK-DGCLKSJQSA-N -1 0 341.358 3.572 20 0 EHADRM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N2CCC(N(C)C(=O)[O-])CC2)cc1 ZINC000737651835 603306065 /nfs/dbraw/zinc/30/60/65/603306065.db2.gz SLXCSZOMDABENW-MSOLQXFVSA-N -1 0 344.455 3.514 20 0 EHADRM CC[C@H](Cc1ccccc1)NC(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739257981 603320086 /nfs/dbraw/zinc/32/00/86/603320086.db2.gz AAKMXQHLQXDHJQ-MRXNPFEDSA-N -1 0 341.411 3.597 20 0 EHADRM CCN(Cc1cccc(NC(=O)c2cccc3cc[nH]c32)c1)C(=O)[O-] ZINC000827172049 603320902 /nfs/dbraw/zinc/32/09/02/603320902.db2.gz URXDGYOJRNUKRS-UHFFFAOYSA-N -1 0 337.379 3.920 20 0 EHADRM CN(Cc1cccc(NC(=O)c2cccc(F)c2Cl)c1)C(=O)[O-] ZINC000828375769 603322796 /nfs/dbraw/zinc/32/27/96/603322796.db2.gz SLTIUJANVKPSFK-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM C[C@@H](NC(=O)Nc1ccccc1CN(C)C(=O)[O-])C1CCCCC1 ZINC000825172863 603329430 /nfs/dbraw/zinc/32/94/30/603329430.db2.gz ZNUDGIQPGJSNIC-CYBMUJFWSA-N -1 0 333.432 3.887 20 0 EHADRM Cc1cccc2c1CC[C@H]2NC(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000740179278 603329488 /nfs/dbraw/zinc/32/94/88/603329488.db2.gz LAJRMWJJDDNHJT-QGZVFWFLSA-N -1 0 339.395 3.572 20 0 EHADRM CCc1ccc(CNC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c2ccccc2)s1 ZINC000827583507 603333834 /nfs/dbraw/zinc/33/38/34/603333834.db2.gz JYAAXOLTVFIGNQ-BLLLJJGKSA-N -1 0 346.452 3.572 20 0 EHADRM C[C@H](Cc1ccsc1)NC(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000738946606 603340376 /nfs/dbraw/zinc/34/03/76/603340376.db2.gz SHCZKLKWOQIFEJ-GFCCVEGCSA-N -1 0 347.440 3.611 20 0 EHADRM CCN(Cc1cccc(NC(=O)N(C)C(C2CC2)C2CC2)c1)C(=O)[O-] ZINC000739442546 603344699 /nfs/dbraw/zinc/34/46/99/603344699.db2.gz MZXXFCPTDYQELJ-UHFFFAOYSA-N -1 0 345.443 3.839 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N1CCC[C@@H]1C1CCC1)C(=O)[O-] ZINC000739448365 603353569 /nfs/dbraw/zinc/35/35/69/603353569.db2.gz SJOAOZSBMDAZGW-QGZVFWFLSA-N -1 0 345.443 3.983 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)Nc2cnn(C(C)(C)C)c2)cc1 ZINC000825442825 603380615 /nfs/dbraw/zinc/38/06/15/603380615.db2.gz QYORAEHACRLZNC-LLVKDONJSA-N -1 0 345.403 3.611 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 ZINC000825427431 603384546 /nfs/dbraw/zinc/38/45/46/603384546.db2.gz VNUWNOLQUUDVQV-LBPRGKRZSA-N -1 0 325.368 3.563 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)NCc2ccc(Cl)o2)cc1 ZINC000825433903 603384959 /nfs/dbraw/zinc/38/49/59/603384959.db2.gz HYFFRPJOFWLGOV-SECBINFHSA-N -1 0 337.763 3.583 20 0 EHADRM CCCN(C(=O)C[C@H](C)NC(=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000826856966 603394004 /nfs/dbraw/zinc/39/40/04/603394004.db2.gz HMZBMVCKKHPVFL-QWHCGFSZSA-N -1 0 332.400 3.779 20 0 EHADRM CCN(Cc1ccccc1NC(=O)c1cc(C(C)(C)C)on1)C(=O)[O-] ZINC000739441672 603394394 /nfs/dbraw/zinc/39/43/94/603394394.db2.gz DTEZWZZZFCXTSH-UHFFFAOYSA-N -1 0 345.399 3.724 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)NC2(c3ccc(Cl)cc3)CCC2)o1 ZINC000832684723 603402752 /nfs/dbraw/zinc/40/27/52/603402752.db2.gz VIUVDZSQEXVRRX-UHFFFAOYSA-N -1 0 348.786 3.510 20 0 EHADRM C[C@@H](c1nc(-c2cccs2)no1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000825644598 603406456 /nfs/dbraw/zinc/40/64/56/603406456.db2.gz HEXWKBQNSGTOEP-ZWNOBZJWSA-N -1 0 329.381 3.911 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NC[C@@H]1CC=CCC1 ZINC000829183181 603417970 /nfs/dbraw/zinc/41/79/70/603417970.db2.gz WZMGTMXXONURLH-SNVBAGLBSA-N -1 0 338.791 3.525 20 0 EHADRM O=C([O-])N1CCC[C@@H]1C1CCN(C(=O)CCCC2CCCC2)CC1 ZINC000831429056 603422784 /nfs/dbraw/zinc/42/27/84/603422784.db2.gz OJXQZBBFZFDFGB-QGZVFWFLSA-N -1 0 336.476 3.728 20 0 EHADRM CSc1ccc(C(=O)N2CCCN(C(=O)[O-])c3ccccc32)cc1 ZINC000740021695 603431040 /nfs/dbraw/zinc/43/10/40/603431040.db2.gz NIKJKQYGGMKOQC-UHFFFAOYSA-N -1 0 342.420 3.943 20 0 EHADRM O=C([O-])N[C@H]1CC[C@@H](C(=O)Nc2ccc3oc4ccccc4c3c2)C1 ZINC000832287993 603431364 /nfs/dbraw/zinc/43/13/64/603431364.db2.gz QGEBEIRAHDNQOH-NEPJUHHUSA-N -1 0 338.363 3.961 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)c1cc(Cl)ccc1Cl ZINC000825083382 603459247 /nfs/dbraw/zinc/45/92/47/603459247.db2.gz PVKKQPGYBLWMAH-NGZCFLSTSA-N -1 0 345.226 3.607 20 0 EHADRM CCO[C@H](C)c1ncc(C(=O)Oc2cccc(NC(=O)[O-])c2)s1 ZINC000827360987 603478013 /nfs/dbraw/zinc/47/80/13/603478013.db2.gz CLFDMDXCPCBKRI-SECBINFHSA-N -1 0 336.369 3.550 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)Nc2ccc3c(c2)oc2ccccc23)C1 ZINC000832289561 603478549 /nfs/dbraw/zinc/47/85/49/603478549.db2.gz ZASLPGQAIUYPRI-NWDGAFQWSA-N -1 0 338.363 3.961 20 0 EHADRM CCOc1ccc(CCC(=O)Oc2cccc(NC(=O)[O-])c2)cc1 ZINC000827427074 603479749 /nfs/dbraw/zinc/47/97/49/603479749.db2.gz FDEAHNULHGTMCI-UHFFFAOYSA-N -1 0 329.352 3.713 20 0 EHADRM Cc1nc(COC(=O)CC[C@H](NC(=O)[O-])c2ccccc2)sc1C ZINC000830760749 603485016 /nfs/dbraw/zinc/48/50/16/603485016.db2.gz IYLSFICVEDRIJY-AWEZNQCLSA-N -1 0 348.424 3.592 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NC[C@H]2SCCc3ccccc32)cc1 ZINC000832834456 603498148 /nfs/dbraw/zinc/49/81/48/603498148.db2.gz WZJWDOVVZRDQFF-MRXNPFEDSA-N -1 0 342.420 3.537 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)C[C@H](Cc2ccccc2)NC(=O)[O-])s1 ZINC000830250339 603510979 /nfs/dbraw/zinc/51/09/79/603510979.db2.gz AXUPEOQNYWAXQS-HIFRSBDPSA-N -1 0 346.452 3.503 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N(CC1CC1)C(C)C ZINC000829167348 603531093 /nfs/dbraw/zinc/53/10/93/603531093.db2.gz JVMQHUSAARUZND-UHFFFAOYSA-N -1 0 340.807 3.699 20 0 EHADRM Cc1cc(NC(=O)c2ccc(C)c(NC(=O)[O-])c2)nc(C(C)C)n1 ZINC000830116739 603534300 /nfs/dbraw/zinc/53/43/00/603534300.db2.gz NBEXNWKZIISSAZ-UHFFFAOYSA-N -1 0 328.372 3.559 20 0 EHADRM CCCC(C)(C)NC(=O)c1cc(Cl)c(NC(=O)[O-])cc1OC ZINC000826711516 603535110 /nfs/dbraw/zinc/53/51/10/603535110.db2.gz BIDFSNMVIXFIGD-UHFFFAOYSA-N -1 0 328.796 3.747 20 0 EHADRM CC(C)N(C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1)c1ccc(F)cc1Cl ZINC000824323472 603535238 /nfs/dbraw/zinc/53/52/38/603535238.db2.gz DOTYZPSQLGPOFU-CMPLNLGQSA-N -1 0 342.798 3.657 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)N(C)CC(C)(C)CNC(=O)[O-] ZINC000830472618 603550227 /nfs/dbraw/zinc/55/02/27/603550227.db2.gz QXCAKQQPIASFEP-UHFFFAOYSA-N -1 0 335.448 3.876 20 0 EHADRM C[C@@H](CCOc1ccccc1)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000824811265 603615428 /nfs/dbraw/zinc/61/54/28/603615428.db2.gz XYCUVPCRQAJUGH-ZDUSSCGKSA-N -1 0 328.368 3.820 20 0 EHADRM CCN(Cc1cccc(NC(=O)c2ccccc2C(C)=O)c1)C(=O)[O-] ZINC000827172334 603656601 /nfs/dbraw/zinc/65/66/01/603656601.db2.gz WOMJAXALKDOOAQ-UHFFFAOYSA-N -1 0 340.379 3.641 20 0 EHADRM CC(C)(C)OCc1ccc(NC(=O)CC2(NC(=O)[O-])CCC2)cc1 ZINC000823833950 603770210 /nfs/dbraw/zinc/77/02/10/603770210.db2.gz XYTTTWVUUOERJF-UHFFFAOYSA-N -1 0 334.416 3.521 20 0 EHADRM C[C@@H](NC(=O)c1ccc(F)c(NC(=O)[O-])c1)c1ccc(F)cc1F ZINC000739021470 603782514 /nfs/dbraw/zinc/78/25/14/603782514.db2.gz DKLSYTGCEIMEMD-MRVPVSSYSA-N -1 0 338.285 3.685 20 0 EHADRM C[C@@H](CN(C)C(=O)[O-])c1noc(-c2cncc(-c3ccccc3)c2)n1 ZINC000824900804 603817775 /nfs/dbraw/zinc/81/77/75/603817775.db2.gz DDPPMCJOIDYFSO-LBPRGKRZSA-N -1 0 338.367 3.512 20 0 EHADRM Cc1cc(F)c(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1F ZINC000830055481 603846993 /nfs/dbraw/zinc/84/69/93/603846993.db2.gz SOYNOFNCQJQMHK-SNVBAGLBSA-N -1 0 334.322 3.854 20 0 EHADRM CC(C)Nc1ccc(F)cc1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000824389226 603875546 /nfs/dbraw/zinc/87/55/46/603875546.db2.gz VAPKBPCSKOTLBO-UHFFFAOYSA-N -1 0 331.347 3.988 20 0 EHADRM O=C([O-])N[C@H]1CC[C@@H](C(=O)Nc2ccc(CCC(F)(F)F)cc2)C1 ZINC000832285109 603886928 /nfs/dbraw/zinc/88/69/28/603886928.db2.gz CYXCLDXGNZBFSS-YPMHNXCESA-N -1 0 344.333 3.556 20 0 EHADRM O=C([O-])N1CCC[C@@H]1CC(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000831340550 603897130 /nfs/dbraw/zinc/89/71/30/603897130.db2.gz XJGHTFAXELFXOZ-CYBMUJFWSA-N -1 0 344.333 3.653 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])o1 ZINC000830283046 603898124 /nfs/dbraw/zinc/89/81/24/603898124.db2.gz VFDZZRYMOKEZPP-WTXIUTQJSA-N -1 0 346.427 3.563 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000829292986 603929003 /nfs/dbraw/zinc/92/90/03/603929003.db2.gz IGMHCMDJTMIBNY-LBPRGKRZSA-N -1 0 328.368 3.917 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000832337658 603929367 /nfs/dbraw/zinc/92/93/67/603929367.db2.gz CDHSIKRUOHKZBL-CHWSQXEVSA-N -1 0 344.333 3.556 20 0 EHADRM O=C([O-])N[C@@H](CC(=O)Nc1ccccc1Cl)Cc1ccccc1 ZINC000832114005 603936763 /nfs/dbraw/zinc/93/67/63/603936763.db2.gz QARHEYIUWSCTIM-CYBMUJFWSA-N -1 0 332.787 3.548 20 0 EHADRM COc1ccc(NC(=O)Nc2cccc3c2CCN3C(=O)[O-])cc1F ZINC000829469072 603968007 /nfs/dbraw/zinc/96/80/07/603968007.db2.gz AJKUIVKLAPZXBB-UHFFFAOYSA-N -1 0 345.330 3.519 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)Nc1cc(F)ccc1F ZINC000831751847 603968082 /nfs/dbraw/zinc/96/80/82/603968082.db2.gz CEPVKSSBCOMXTM-UHFFFAOYSA-N -1 0 333.294 3.649 20 0 EHADRM CCN(C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccccc1C ZINC000826976556 603978475 /nfs/dbraw/zinc/97/84/75/603978475.db2.gz YKPJOHGDJTXADG-MQVJKMGUSA-N -1 0 330.428 3.659 20 0 EHADRM CCc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)o1 ZINC000827582894 603988518 /nfs/dbraw/zinc/98/85/18/603988518.db2.gz CJUIKEURZZHZCQ-FMKPAKJESA-N -1 0 348.443 3.722 20 0 EHADRM CCC[C@@H]1CCCN(C(=O)Nc2ccccc2CN(C)C(=O)[O-])C1 ZINC000826774472 603992791 /nfs/dbraw/zinc/99/27/91/603992791.db2.gz HBANTMZQMDGXSN-CQSZACIVSA-N -1 0 333.432 3.840 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)OCCC(F)(F)F ZINC000829191226 603996567 /nfs/dbraw/zinc/99/65/67/603996567.db2.gz BNEZTHDSRTXRIS-UHFFFAOYSA-N -1 0 341.669 3.548 20 0 EHADRM O=C([O-])Nc1cc2c(cc1NC(=O)c1cc3occc3s1)OCO2 ZINC000832825475 604010852 /nfs/dbraw/zinc/01/08/52/604010852.db2.gz VLGWJJXESWVLMG-UHFFFAOYSA-N -1 0 346.320 3.565 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@@H]2CCCc3[nH]ccc32)c(Cl)c1 ZINC000832833371 604017130 /nfs/dbraw/zinc/01/71/30/604017130.db2.gz KNUDTTHHCKJILK-CQSZACIVSA-N -1 0 333.775 3.565 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(CNC(=O)[O-])cc2)[C@@H](c2ccco2)C1 ZINC000825945190 604025484 /nfs/dbraw/zinc/02/54/84/604025484.db2.gz URHUTTHHHBCTOM-XJKSGUPXSA-N -1 0 342.395 3.661 20 0 EHADRM Cc1ccc(NC(=O)N2CCCC[C@@H]2[C@H]2CCCN2C(=O)[O-])s1 ZINC000830380925 604027712 /nfs/dbraw/zinc/02/77/12/604027712.db2.gz CMUQACGLPVGQRO-CHWSQXEVSA-N -1 0 337.445 3.585 20 0 EHADRM Cc1cc(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])c(F)cc1F ZINC000829965811 604054459 /nfs/dbraw/zinc/05/44/59/604054459.db2.gz KAWOTUKSYOIDHS-UHFFFAOYSA-N -1 0 332.306 3.566 20 0 EHADRM Cc1cc(C)c(NC(=O)N2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)c(C)c1 ZINC000829990766 604059198 /nfs/dbraw/zinc/05/91/98/604059198.db2.gz HJLOXHVDDKSTMD-CABCVRRESA-N -1 0 333.432 3.512 20 0 EHADRM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)Nc2cccc3ccccc32)C1 ZINC000825235087 604060768 /nfs/dbraw/zinc/06/07/68/604060768.db2.gz BYBRHNUBVWYCDJ-ZFWWWQNUSA-N -1 0 341.411 3.740 20 0 EHADRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)Nc2ccccc2C(C)(C)C)C1 ZINC000825238271 604065324 /nfs/dbraw/zinc/06/53/24/604065324.db2.gz XWJQRCAUQAFBHF-KGLIPLIRSA-N -1 0 347.459 3.884 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)N1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000830329187 604066089 /nfs/dbraw/zinc/06/60/89/604066089.db2.gz OPMHMINAQAFMCZ-NWDGAFQWSA-N -1 0 339.823 3.548 20 0 EHADRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)Nc2cccc(C(F)F)c2)C1 ZINC000825236029 604081614 /nfs/dbraw/zinc/08/16/14/604081614.db2.gz KGRZGPMVXLJKFP-CMPLNLGQSA-N -1 0 341.358 3.524 20 0 EHADRM CCCOc1cccc(NC(=O)N(C)C2CCC(NC(=O)[O-])CC2)c1 ZINC000826939756 604123854 /nfs/dbraw/zinc/12/38/54/604123854.db2.gz VMRCXLGNEQLKDL-UHFFFAOYSA-N -1 0 349.431 3.518 20 0 EHADRM CC(C)[C@H](CCN(C)C(=O)Nc1cccc(C(F)F)c1)NC(=O)[O-] ZINC000824091468 604133568 /nfs/dbraw/zinc/13/35/68/604133568.db2.gz FEDVXANQXYKJOW-ZDUSSCGKSA-N -1 0 343.374 3.770 20 0 EHADRM CCS[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000827504279 604136552 /nfs/dbraw/zinc/13/65/52/604136552.db2.gz SVQHZHHOEIOWJS-KGLIPLIRSA-N -1 0 337.445 3.962 20 0 EHADRM COc1cc(F)c(NC(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1F ZINC000829142698 604141673 /nfs/dbraw/zinc/14/16/73/604141673.db2.gz TWPGWZBMYRSZRJ-UHFFFAOYSA-N -1 0 336.294 3.624 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000825423751 604149552 /nfs/dbraw/zinc/14/95/52/604149552.db2.gz UIOLKQOUUBFABF-YUELXQCFSA-N -1 0 331.416 3.669 20 0 EHADRM CCN(Cc1ccccc1NC(=O)Cc1ccc(F)c(F)c1)C(=O)[O-] ZINC000827182431 604173536 /nfs/dbraw/zinc/17/35/36/604173536.db2.gz LSQRSEIXQJUNST-UHFFFAOYSA-N -1 0 348.349 3.646 20 0 EHADRM CCN(Cc1ccccc1)C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000737103807 604195187 /nfs/dbraw/zinc/19/51/87/604195187.db2.gz JAKQHGBUTSMJCA-UHFFFAOYSA-N -1 0 341.411 3.551 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)CCCc2cccs2)cc1 ZINC000740017680 604252788 /nfs/dbraw/zinc/25/27/88/604252788.db2.gz SRYRLCGVEOJGNG-UHFFFAOYSA-N -1 0 332.425 3.520 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2cc(C(=O)[O-])ccn2)c(Cl)c1 ZINC000832952007 604278161 /nfs/dbraw/zinc/27/81/61/604278161.db2.gz BKYNQPXNKZTTDH-UHFFFAOYSA-N -1 0 348.786 3.539 20 0 EHADRM Cc1ccc(C[C@@H](C)N(C)C(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000832929327 604283518 /nfs/dbraw/zinc/28/35/18/604283518.db2.gz RNQHICUMNXFFKT-CYBMUJFWSA-N -1 0 329.371 3.536 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])c(F)c2)[C@H](c2ccco2)C1 ZINC000828285744 604295869 /nfs/dbraw/zinc/29/58/69/604295869.db2.gz PSDOWSLPGYXNGI-ABAIWWIYSA-N -1 0 331.343 3.730 20 0 EHADRM Cc1cc(C)c(NC(=O)C[C@@H](C)[C@H]2CCCN(C(=O)[O-])C2)c(C)c1 ZINC000829990586 604314799 /nfs/dbraw/zinc/31/47/99/604314799.db2.gz BUBUOLWMWYQNPC-CJNGLKHVSA-N -1 0 332.444 3.967 20 0 EHADRM CCC1(CC)[C@@H](NC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)C[C@@H]1OC ZINC000829050287 604326834 /nfs/dbraw/zinc/32/68/34/604326834.db2.gz OJPMREDONRETHE-GJZGRUSLSA-N -1 0 349.431 3.516 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c(C)c1 ZINC000832910934 604373895 /nfs/dbraw/zinc/37/38/95/604373895.db2.gz CQQNRESZYODQPO-KRWDZBQOSA-N -1 0 325.408 3.885 20 0 EHADRM Cc1nc(CC(=O)Oc2cc3ccccc3cc2C(=O)[O-])c(C)s1 ZINC000832999503 604377249 /nfs/dbraw/zinc/37/72/49/604377249.db2.gz WGZJQCNZQKJIGN-UHFFFAOYSA-N -1 0 341.388 3.759 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccccc1 ZINC000826090506 604384397 /nfs/dbraw/zinc/38/43/97/604384397.db2.gz SSNJAENUOGGBTC-KRWDZBQOSA-N -1 0 345.826 3.851 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1cnc(C2CC2)s1)c1ccccc1 ZINC000826106307 604390024 /nfs/dbraw/zinc/39/00/24/604390024.db2.gz XTUQEUBYQVHKDU-AWEZNQCLSA-N -1 0 344.436 3.602 20 0 EHADRM COc1cccc2c1CC[C@H]2NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000829581545 604393105 /nfs/dbraw/zinc/39/31/05/604393105.db2.gz TTXXMAIBXMJQFD-OAHLLOKOSA-N -1 0 341.367 3.594 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)c1cccc(Cl)c1F ZINC000831797900 604393617 /nfs/dbraw/zinc/39/36/17/604393617.db2.gz YFKYRONEMKVEJT-UHFFFAOYSA-N -1 0 334.734 3.772 20 0 EHADRM CCC(CC)n1nccc1-c1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000828874937 604404252 /nfs/dbraw/zinc/40/42/52/604404252.db2.gz VNGWIZBDJCIDEP-UHFFFAOYSA-N -1 0 326.356 3.659 20 0 EHADRM O=C([O-])Nc1ccccc1OCc1cn(-c2ccc(Cl)cc2)nn1 ZINC000833287944 604406600 /nfs/dbraw/zinc/40/66/00/604406600.db2.gz OWJJFGIJEROSEJ-UHFFFAOYSA-N -1 0 344.758 3.590 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc(-c2cc(C(F)(F)F)ccc2F)n1 ZINC000824902461 604423653 /nfs/dbraw/zinc/42/36/53/604423653.db2.gz MJKJWSSQIWAHDW-SSDOTTSWSA-N -1 0 347.268 3.608 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccc(COC)cc1 ZINC000829028010 604427939 /nfs/dbraw/zinc/42/79/39/604427939.db2.gz QVOMAWYCMYPUBK-GOSISDBHSA-N -1 0 341.407 3.511 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)Cc1ccc(C)s1 ZINC000829027561 604429282 /nfs/dbraw/zinc/42/92/82/604429282.db2.gz OUXNFDCBRBSDQK-INIZCTEOSA-N -1 0 331.437 3.664 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)N(C)[C@H](C)c2ccco2)cc1 ZINC000825377891 604438655 /nfs/dbraw/zinc/43/86/55/604438655.db2.gz MVYKTABLOGFZIF-CHWSQXEVSA-N -1 0 345.399 3.511 20 0 EHADRM Cc1cccc(C(=O)NCc2ccc([C@H](C)NC(=O)[O-])cc2)c1C ZINC000830465404 604457227 /nfs/dbraw/zinc/45/72/27/604457227.db2.gz LKTFSGUKQBNAMN-AWEZNQCLSA-N -1 0 326.396 3.562 20 0 EHADRM CCS[C@H](C)c1noc(CN2CCCc3c(C(=O)[O-])cccc32)n1 ZINC000518386811 604457282 /nfs/dbraw/zinc/45/72/82/604457282.db2.gz REHWKWBBNDLHOO-LLVKDONJSA-N -1 0 347.440 3.535 20 0 EHADRM Cc1cc(C(=O)NCc2ccc([C@H](C)NC(=O)[O-])cc2)c(F)cc1F ZINC000829956989 604458040 /nfs/dbraw/zinc/45/80/40/604458040.db2.gz QVZFNLURZVYYNW-NSHDSACASA-N -1 0 348.349 3.532 20 0 EHADRM COc1cccc2c1CCCCN2C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000833735644 604468639 /nfs/dbraw/zinc/46/86/39/604468639.db2.gz GFECKGDMJZZURE-UHFFFAOYSA-N -1 0 343.354 3.516 20 0 EHADRM CC(C)(C)O[C@@H](C(=O)OCc1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000833445994 604470739 /nfs/dbraw/zinc/47/07/39/604470739.db2.gz LOOWKWHVMZHILI-OAHLLOKOSA-N -1 0 332.352 3.577 20 0 EHADRM CC(C)(C)O[C@H](C(=O)OCc1cc(C(=O)[O-])co1)c1ccccc1 ZINC000833445849 604470911 /nfs/dbraw/zinc/47/09/11/604470911.db2.gz JNMDIXZAIGOOFH-HNNXBMFYSA-N -1 0 332.352 3.577 20 0 EHADRM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000828151748 604482440 /nfs/dbraw/zinc/48/24/40/604482440.db2.gz ZXQAPLIADUJKTI-JSGCOSHPSA-N -1 0 344.436 3.931 20 0 EHADRM CCc1cccc2c1OCC[C@@H]2NC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000830270135 604506597 /nfs/dbraw/zinc/50/65/97/604506597.db2.gz MGRIRKHFKZSOMN-ZDUSSCGKSA-N -1 0 346.408 3.654 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@@H]1CC(=O)[O-])c1csc2ccccc21 ZINC000827654070 604509779 /nfs/dbraw/zinc/50/97/79/604509779.db2.gz XUYAFROPZJZZFQ-VXGBXAGGSA-N -1 0 332.425 3.611 20 0 EHADRM Cc1coc(-c2cc(NC(=O)CCC(C)(C)NC(=O)[O-])ccc2C)n1 ZINC000830650485 604513145 /nfs/dbraw/zinc/51/31/45/604513145.db2.gz KURJNMYMKFZYFW-UHFFFAOYSA-N -1 0 345.399 3.723 20 0 EHADRM O=C([O-])c1csc(NC(=O)N2CC[C@@H](c3ccccc3F)C2)c1 ZINC000833342711 604520179 /nfs/dbraw/zinc/52/01/79/604520179.db2.gz OVVZFLFXRJPNHK-SNVBAGLBSA-N -1 0 334.372 3.607 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000262942433 604571762 /nfs/dbraw/zinc/57/17/62/604571762.db2.gz MFVFBWFLRSTION-CYZMBNFOSA-N -1 0 342.222 3.563 20 0 EHADRM CC1(C)C[C@@H](NC(=O)NCCCCCCC(=O)[O-])c2ccccc21 ZINC000828056372 604573062 /nfs/dbraw/zinc/57/30/62/604573062.db2.gz SIYKIXRBSGONLP-MRXNPFEDSA-N -1 0 332.444 3.743 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000455875682 604573373 /nfs/dbraw/zinc/57/33/73/604573373.db2.gz NTBPZMSRWHLSNS-QMMMGPOBSA-N -1 0 341.194 3.554 20 0 EHADRM CC[C@H](C(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1)c1c(C)noc1C ZINC000828604271 604576118 /nfs/dbraw/zinc/57/61/18/604576118.db2.gz YXZBVVJRIIKXPX-PWSUYJOCSA-N -1 0 335.356 3.689 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000262819714 604584328 /nfs/dbraw/zinc/58/43/28/604584328.db2.gz AKWHAEUPGFBWTP-GXFFZTMASA-N -1 0 344.238 3.638 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)C1 ZINC000833557979 604589337 /nfs/dbraw/zinc/58/93/37/604589337.db2.gz AFRAJWWUDVPYDX-LLVKDONJSA-N -1 0 340.807 3.504 20 0 EHADRM CC(C)Cn1ncc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1C1CC1 ZINC000761748379 604595122 /nfs/dbraw/zinc/59/51/22/604595122.db2.gz ARCBGFWCPDHGSC-UHFFFAOYSA-N -1 0 345.374 3.506 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2occc2Br)oc1C(=O)[O-] ZINC000832876300 604598534 /nfs/dbraw/zinc/59/85/34/604598534.db2.gz XBLYHNGKLUZSKB-SSDOTTSWSA-N -1 0 343.129 3.560 20 0 EHADRM O=C([O-])[C@H](OC(=O)/C=C\SCc1ccco1)c1ccccc1F ZINC000833093206 604600722 /nfs/dbraw/zinc/60/07/22/604600722.db2.gz VMMLLZWOQBZEAQ-SOIVGHGOSA-N -1 0 336.340 3.535 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)/C=C/SCc1ccco1 ZINC000833032059 604601020 /nfs/dbraw/zinc/60/10/20/604601020.db2.gz SBKBMJDRYBWYRZ-GQCTYLIASA-N -1 0 338.406 3.838 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)N(C)c2ccc(F)cc2)cc1 ZINC000825383405 604612860 /nfs/dbraw/zinc/61/28/60/604612860.db2.gz QKMGUDYSUKRXIH-LBPRGKRZSA-N -1 0 345.374 3.500 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N2CCC[C@@H]2CC(=O)[O-])cc1Cl ZINC000827054933 604614877 /nfs/dbraw/zinc/61/48/77/604614877.db2.gz QFWIUXLXAQFBQS-GFCCVEGCSA-N -1 0 340.807 3.598 20 0 EHADRM CS/C=C\C(=O)OCc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000832753769 604617976 /nfs/dbraw/zinc/61/79/76/604617976.db2.gz RYBWCLUYBGAHBU-WAYWQWQTSA-N -1 0 326.370 3.659 20 0 EHADRM CC(C)(CC(=O)[O-])NC(=O)c1cccc(-c2c(F)cccc2F)c1 ZINC000833456201 604640615 /nfs/dbraw/zinc/64/06/15/604640615.db2.gz NNMKIGUUFFJQCY-UHFFFAOYSA-N -1 0 333.334 3.615 20 0 EHADRM COc1cc(C)ccc1NCc1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000831972458 604654357 /nfs/dbraw/zinc/65/43/57/604654357.db2.gz LIAMHUIXLITJHG-UHFFFAOYSA-N -1 0 329.396 3.696 20 0 EHADRM CCc1ccccc1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000830276308 604656252 /nfs/dbraw/zinc/65/62/52/604656252.db2.gz FNKCPZRQVKVDQK-UHFFFAOYSA-N -1 0 335.306 3.801 20 0 EHADRM CCc1ccc(CN(C)C(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC000262121699 604664269 /nfs/dbraw/zinc/66/42/69/604664269.db2.gz GKMDQWKQMCCJCY-UHFFFAOYSA-N -1 0 325.408 3.538 20 0 EHADRM CCc1cc(C)c(C(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)o1 ZINC000830218873 604664292 /nfs/dbraw/zinc/66/42/92/604664292.db2.gz WBRNQBXXIONNMJ-UHFFFAOYSA-N -1 0 345.380 3.553 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2cccc(OCC(F)(F)F)c2)c1 ZINC000833342770 604667117 /nfs/dbraw/zinc/66/71/17/604667117.db2.gz RRUOUEQASIXHKW-UHFFFAOYSA-N -1 0 345.298 3.640 20 0 EHADRM CCc1ccccc1C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000830276289 604667945 /nfs/dbraw/zinc/66/79/45/604667945.db2.gz FGMQFDOEJGVODM-KRWDZBQOSA-N -1 0 325.408 3.831 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000566604468 604670749 /nfs/dbraw/zinc/67/07/49/604670749.db2.gz LJRROVYIDPIDED-CQSZACIVSA-N -1 0 340.423 3.516 20 0 EHADRM CCc1ccc(CN(C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)o1 ZINC000833670766 604674667 /nfs/dbraw/zinc/67/46/67/604674667.db2.gz VLQQICLPTWPGMK-OAHLLOKOSA-N -1 0 327.302 3.517 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000833210714 604676564 /nfs/dbraw/zinc/67/65/64/604676564.db2.gz OMQOLFQDNYQUPY-WMZOPIPTSA-N -1 0 348.418 3.706 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@@H]1CC(=O)[O-])c1cc2ccccc2s1 ZINC000827652048 604684068 /nfs/dbraw/zinc/68/40/68/604684068.db2.gz AKYBXKYPENJOSC-WCQYABFASA-N -1 0 332.425 3.611 20 0 EHADRM Cc1ccc(-c2nc(COc3ccc(F)cc3)no2)cc1NC(=O)[O-] ZINC000830161504 604688505 /nfs/dbraw/zinc/68/85/05/604688505.db2.gz ZQSDCPMLSIAEBN-UHFFFAOYSA-N -1 0 343.314 3.853 20 0 EHADRM COCCn1c(C)c(C)nc1S[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000831800454 604709926 /nfs/dbraw/zinc/70/99/26/604709926.db2.gz OFNICFJRLMCOEU-LBPRGKRZSA-N -1 0 338.429 3.599 20 0 EHADRM CCCOc1ccc([C@@H](C)Nc2cccc(C(=O)[O-])n2)cc1OC ZINC000263407840 604710519 /nfs/dbraw/zinc/71/05/19/604710519.db2.gz LHCUNQAQSOHNTC-GFCCVEGCSA-N -1 0 330.384 3.750 20 0 EHADRM CCCOc1ccc([C@H](C)Nc2cccc(C(=O)[O-])n2)cc1OC ZINC000263407841 604710567 /nfs/dbraw/zinc/71/05/67/604710567.db2.gz LHCUNQAQSOHNTC-LBPRGKRZSA-N -1 0 330.384 3.750 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000826694081 604724756 /nfs/dbraw/zinc/72/47/56/604724756.db2.gz PPDYMIHGTAEYRB-HNNXBMFYSA-N -1 0 346.452 3.614 20 0 EHADRM CCCc1cc(C(=O)Nc2nc(CCC(=O)[O-])cs2)sc1C ZINC000829562355 604725727 /nfs/dbraw/zinc/72/57/27/604725727.db2.gz AFVTXXRGUXAYLV-UHFFFAOYSA-N -1 0 338.454 3.735 20 0 EHADRM CC[C@H](OC(=O)CCc1ccccc1C(=O)[O-])C(=O)c1ccccc1 ZINC000833645733 604732961 /nfs/dbraw/zinc/73/29/61/604732961.db2.gz RHAHSKCOHAEYDI-KRWDZBQOSA-N -1 0 340.375 3.522 20 0 EHADRM Cc1cc2[nH]c(C(=O)Nc3nc(CCC(=O)[O-])cs3)cc2c(C)c1 ZINC000832875760 604737261 /nfs/dbraw/zinc/73/72/61/604737261.db2.gz WHHWZKZDFXFZAK-UHFFFAOYSA-N -1 0 343.408 3.511 20 0 EHADRM CCCCc1ccc(C(=O)Nc2nc(CCC(=O)[O-])cs2)cc1 ZINC000829430536 604738505 /nfs/dbraw/zinc/73/85/05/604738505.db2.gz ALUPWWXQEXVTSR-UHFFFAOYSA-N -1 0 332.425 3.755 20 0 EHADRM Cc1cc([C@@H](C)Sc2nc(C(F)(F)F)cc(=O)[nH]2)oc1C(=O)[O-] ZINC000832874118 604745268 /nfs/dbraw/zinc/74/52/68/604745268.db2.gz MLKWSGREUINZDY-ZCFIWIBFSA-N -1 0 348.302 3.654 20 0 EHADRM CCc1csc([C@@H]2CCC[N@H+](Cc3ccc(C(=O)[O-])cc3F)C2)n1 ZINC000564738401 604753590 /nfs/dbraw/zinc/75/35/90/604753590.db2.gz ATMRGPXFDZRKBG-CQSZACIVSA-N -1 0 348.443 3.922 20 0 EHADRM COc1ccccc1[C@H](N[C@@H](C(=O)[O-])c1ccccc1)c1ccco1 ZINC000832594961 604770599 /nfs/dbraw/zinc/77/05/99/604770599.db2.gz JBHYQBLHVYTMEL-MOPGFXCFSA-N -1 0 337.375 3.793 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccc(NCc2ccoc2C(=O)[O-])cc1 ZINC000833444222 604777549 /nfs/dbraw/zinc/77/75/49/604777549.db2.gz BCLTVVRWIWKQHJ-UHFFFAOYSA-N -1 0 332.356 3.937 20 0 EHADRM CCCCOc1cccc(CNC(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000829421783 604812605 /nfs/dbraw/zinc/81/26/05/604812605.db2.gz HLFNTFAVADJVLT-UHFFFAOYSA-N -1 0 345.370 3.633 20 0 EHADRM CC(C)c1ncc(C(=O)Oc2ccc(C(=O)[O-])cc2Cl)s1 ZINC000827158250 604812820 /nfs/dbraw/zinc/81/28/20/604812820.db2.gz DSELJYZWIWDPME-UHFFFAOYSA-N -1 0 325.773 3.837 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N[C@@H]1CC12CCCCC2)C(=O)[O-] ZINC000192972612 604817910 /nfs/dbraw/zinc/81/79/10/604817910.db2.gz TUUGKLLJOAYABE-SWLSCSKDSA-N -1 0 333.453 3.704 20 0 EHADRM C[C@H](CSCc1ccccc1)C(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC000827581565 604822455 /nfs/dbraw/zinc/82/24/55/604822455.db2.gz NWLIURXDSIPOFA-IUODEOHRSA-N -1 0 349.477 3.560 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H](Cc3ccccc3)C2)cc1F ZINC000833308913 604822943 /nfs/dbraw/zinc/82/29/43/604822943.db2.gz FWFRMJCXRQSYOH-HNNXBMFYSA-N -1 0 341.382 3.619 20 0 EHADRM O=C([O-])c1occc1COC(=O)C1(Cc2ccc(Cl)cc2)CC1 ZINC000833785256 604826797 /nfs/dbraw/zinc/82/67/97/604826797.db2.gz MIVQFXANWRQINZ-UHFFFAOYSA-N -1 0 334.755 3.697 20 0 EHADRM CCS[C@H](C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)C(C)C ZINC000262185836 604847515 /nfs/dbraw/zinc/84/75/15/604847515.db2.gz YEUTVXSXXNOXSH-AWEZNQCLSA-N -1 0 345.848 3.520 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)/C=C\c2ccccc2F)cc1Cl ZINC000776669850 604850316 /nfs/dbraw/zinc/85/03/16/604850316.db2.gz ANUVEEBLFIPRIL-YVMONPNESA-N -1 0 349.745 3.594 20 0 EHADRM C[C@H]1CCC[C@H](C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)C1 ZINC000237532771 604851069 /nfs/dbraw/zinc/85/10/69/604851069.db2.gz QUUNDDPYDRBSFS-QWRGUYRKSA-N -1 0 325.792 3.568 20 0 EHADRM CCc1ccc(CCC(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000327258598 604860371 /nfs/dbraw/zinc/86/03/71/604860371.db2.gz ALIKSJHXIQPXLG-GOSISDBHSA-N -1 0 337.419 3.787 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cccc(Cl)c1Cl)c1ccccc1 ZINC000013224091 604865676 /nfs/dbraw/zinc/86/56/76/604865676.db2.gz IKIKERHPLLVLGY-ZDUSSCGKSA-N -1 0 338.190 3.939 20 0 EHADRM Cc1ccc(SCCC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000013224262 604866914 /nfs/dbraw/zinc/86/69/14/604866914.db2.gz FEQDIPWQJWYRFI-KRWDZBQOSA-N -1 0 343.448 3.809 20 0 EHADRM CCc1nc2sccc2c(N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)n1 ZINC000649405899 604872692 /nfs/dbraw/zinc/87/26/92/604872692.db2.gz SXSHCGYKXPGBRQ-LLVKDONJSA-N -1 0 333.457 3.581 20 0 EHADRM C[C@H](CC(=O)N1Cc2ccccc2[C@H]1C)C1CCN(C(=O)[O-])CC1 ZINC000824604436 604881933 /nfs/dbraw/zinc/88/19/33/604881933.db2.gz DJKKGRXXLBCYLM-ZIAGYGMSSA-N -1 0 330.428 3.506 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000327313682 604886751 /nfs/dbraw/zinc/88/67/51/604886751.db2.gz WJYDCMUZHLRFAT-OAHLLOKOSA-N -1 0 341.338 3.826 20 0 EHADRM C[C@]1(NC(=O)c2ccc(SC(F)F)cc2)CCCC[C@@H]1C(=O)[O-] ZINC000262920842 604889286 /nfs/dbraw/zinc/88/92/86/604889286.db2.gz ZIHWWEWXFYGLMI-WBMJQRKESA-N -1 0 343.395 3.765 20 0 EHADRM O=C([O-])NCCCC(=O)N[C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000833279835 604896164 /nfs/dbraw/zinc/89/61/64/604896164.db2.gz LPBDGKAONYIIMO-MRXNPFEDSA-N -1 0 338.835 3.735 20 0 EHADRM O=C([O-])c1cncc(NC(=O)c2ccccc2Cc2ccccc2)c1 ZINC000833341262 604906531 /nfs/dbraw/zinc/90/65/31/604906531.db2.gz MFTLNHIXYIKGDJ-UHFFFAOYSA-N -1 0 332.359 3.623 20 0 EHADRM O=C([O-])c1cncc(NC(=O)C2(c3cccc(F)c3)CCCCC2)c1 ZINC000833338207 604906537 /nfs/dbraw/zinc/90/65/37/604906537.db2.gz SMPIAZGWWBJYAO-UHFFFAOYSA-N -1 0 342.370 3.760 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1F ZINC000833309734 604925273 /nfs/dbraw/zinc/92/52/73/604925273.db2.gz KWFGUXSQVZPDJU-MRXNPFEDSA-N -1 0 331.318 3.640 20 0 EHADRM Cc1ccc(F)c(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)c1 ZINC000237766327 604932922 /nfs/dbraw/zinc/93/29/22/604932922.db2.gz CDJQNCLZLPNPKC-UHFFFAOYSA-N -1 0 329.371 3.641 20 0 EHADRM Cc1cc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)ccc1F ZINC000237675396 604936876 /nfs/dbraw/zinc/93/68/76/604936876.db2.gz PSEIFPDDTHTCPR-UHFFFAOYSA-N -1 0 329.371 3.641 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@H]2CCCC(F)(F)C2)ccc1Cl ZINC000833159695 604947512 /nfs/dbraw/zinc/94/75/12/604947512.db2.gz VTAIWNBROGOTBQ-VIFPVBQESA-N -1 0 332.734 3.738 20 0 EHADRM C[C@]1(NC(=O)c2cccc(-c3ccoc3)c2)CCCC[C@H]1C(=O)[O-] ZINC000262745593 604956889 /nfs/dbraw/zinc/95/68/89/604956889.db2.gz IWCCBCLGMMDLJR-LPHOPBHVSA-N -1 0 327.380 3.710 20 0 EHADRM C[C@@]1(NC(=O)c2ccc(-c3ccco3)s2)CCCC[C@@H]1C(=O)[O-] ZINC000833567055 604963695 /nfs/dbraw/zinc/96/36/95/604963695.db2.gz FNTCHSNOUVOMCS-PIGZYNQJSA-N -1 0 333.409 3.771 20 0 EHADRM CC(C)[C@H](NC(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccccc1 ZINC000826700383 604972994 /nfs/dbraw/zinc/97/29/94/604972994.db2.gz RVUOOCSWJLSKMR-HNNXBMFYSA-N -1 0 347.440 3.679 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000326934709 604973283 /nfs/dbraw/zinc/97/32/83/604973283.db2.gz UMJDZOCUYKVKQH-NVXWUHKLSA-N -1 0 344.455 3.596 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000326934710 604973357 /nfs/dbraw/zinc/97/33/57/604973357.db2.gz UMJDZOCUYKVKQH-RDJZCZTQSA-N -1 0 344.455 3.596 20 0 EHADRM Cc1ccc(Br)c(NC(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000164171049 604975888 /nfs/dbraw/zinc/97/58/88/604975888.db2.gz AJEKZKPZIOFYTQ-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM CC(C)CC[C@@H]1CCCN1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000826844694 604977470 /nfs/dbraw/zinc/97/74/70/604977470.db2.gz GNIHDWKITVWDLS-ZDUSSCGKSA-N -1 0 339.461 3.593 20 0 EHADRM CCN(Cc1ccccc1C)C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000829728100 604982111 /nfs/dbraw/zinc/98/21/11/604982111.db2.gz UAGMCWZJMKJRDS-UHFFFAOYSA-N -1 0 347.440 3.523 20 0 EHADRM C[C@@H](CC(=O)NC(C)(C)CCC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000262759291 604989916 /nfs/dbraw/zinc/98/99/16/604989916.db2.gz KGDIDVUNMYKBJR-GFCCVEGCSA-N -1 0 325.836 3.668 20 0 EHADRM CCc1nc(NC(=O)c2oc3ccc(F)cc3c2C)sc1C(=O)[O-] ZINC000833674459 604992157 /nfs/dbraw/zinc/99/21/57/604992157.db2.gz BSTGQQJAAZGKLO-UHFFFAOYSA-N -1 0 348.355 3.850 20 0 EHADRM CCc1nc(NC(=O)C[C@@H](C)c2ccc(F)cc2)sc1C(=O)[O-] ZINC000833676930 604999660 /nfs/dbraw/zinc/99/96/60/604999660.db2.gz YONJQCHJNLNXOF-SECBINFHSA-N -1 0 336.388 3.675 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)/C=C/c2ccc3[nH]ccc3c2)C1 ZINC000833415473 604999843 /nfs/dbraw/zinc/99/98/43/604999843.db2.gz NNJUBVZFACCOEH-BVBGJJFLSA-N -1 0 340.423 3.531 20 0 EHADRM Cc1scc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1C ZINC000833759126 605016087 /nfs/dbraw/zinc/01/60/87/605016087.db2.gz OVVILCRQRRTACX-CYBMUJFWSA-N -1 0 341.791 3.713 20 0 EHADRM CCC[C@H](NC(=O)c1ccc(Oc2ccc(F)cc2F)cc1)C(=O)[O-] ZINC000237019295 605022061 /nfs/dbraw/zinc/02/20/61/605022061.db2.gz INAKKMILKSTHQW-HNNXBMFYSA-N -1 0 349.333 3.740 20 0 EHADRM CC(C)[C@@H](C(=O)OCc1ccccc1CC(=O)[O-])c1ccccc1 ZINC000833466076 605056164 /nfs/dbraw/zinc/05/61/64/605056164.db2.gz QZTNUSRZVCKYQN-LJQANCHMSA-N -1 0 326.392 3.797 20 0 EHADRM C[C@H](C(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1)c1ccc(Cl)s1 ZINC000833410589 605057756 /nfs/dbraw/zinc/05/77/56/605057756.db2.gz DATVCCZKOUQUFI-ZETCQYMHSA-N -1 0 349.799 3.718 20 0 EHADRM CC[C@@H](C)OCC(=O)OCc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000833640974 605060194 /nfs/dbraw/zinc/06/01/94/605060194.db2.gz LBJCOQICUKXLDO-SECBINFHSA-N -1 0 340.372 3.597 20 0 EHADRM COc1ccc(/C=C(\C(=O)[O-])c2nc(C(C)(C)C)cs2)cc1O ZINC000833732154 605061315 /nfs/dbraw/zinc/06/13/15/605061315.db2.gz HJLZEXDRVPOPFU-XFFZJAGNSA-N -1 0 333.409 3.780 20 0 EHADRM CC(C)CC(=O)Nc1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000024941015 605065978 /nfs/dbraw/zinc/06/59/78/605065978.db2.gz YJYSRSQHXZYBFO-UHFFFAOYSA-N -1 0 334.416 3.501 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)Cc2csc3ccc(Cl)cc23)c1 ZINC000833765685 605066168 /nfs/dbraw/zinc/06/61/68/605066168.db2.gz XHAVNZYXFSMSCG-UHFFFAOYSA-N -1 0 346.795 3.829 20 0 EHADRM C[C@@H](CC(=O)N(CC(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000833515633 605066557 /nfs/dbraw/zinc/06/65/57/605066557.db2.gz KVRPLJMNTDGBFW-LBPRGKRZSA-N -1 0 333.334 3.576 20 0 EHADRM CC(C)[C@H]1C[C@@H](CC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)CCO1 ZINC000833471270 605073489 /nfs/dbraw/zinc/07/34/89/605073489.db2.gz NIBYBZGRZIKGCH-XJKSGUPXSA-N -1 0 334.416 3.581 20 0 EHADRM C[C@H](OC(=O)c1ccc(OC2CCCC2)nc1)c1ccc(C(=O)[O-])o1 ZINC000833534484 605085317 /nfs/dbraw/zinc/08/53/17/605085317.db2.gz CGVUNKOHIHBIFX-NSHDSACASA-N -1 0 345.351 3.612 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2ccc(F)cc2OC2CCCC2)CC1 ZINC000684772240 605090883 /nfs/dbraw/zinc/09/08/83/605090883.db2.gz YOGIKKMUMIRHTF-UHFFFAOYSA-N -1 0 349.402 3.977 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc2oc(C3CC3)nc2c1)C(=O)[O-] ZINC000424472209 605093041 /nfs/dbraw/zinc/09/30/41/605093041.db2.gz OOINFGVGVXQMGL-UHFFFAOYSA-N -1 0 345.399 3.718 20 0 EHADRM CC(C)C[C@H](C)NC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000833475182 605093640 /nfs/dbraw/zinc/09/36/40/605093640.db2.gz NCTILGBESZQTHW-ZDUSSCGKSA-N -1 0 333.432 3.541 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000833455826 605101040 /nfs/dbraw/zinc/10/10/40/605101040.db2.gz YFZSEIGLJJEKJX-UHFFFAOYSA-N -1 0 326.396 3.502 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000236814297 605107369 /nfs/dbraw/zinc/10/73/69/605107369.db2.gz WWRPRNTWMKNZTE-UHFFFAOYSA-N -1 0 339.391 3.747 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)/C=C/c1ccc2[nH]ccc2c1)c1ccccc1 ZINC000833410962 605129458 /nfs/dbraw/zinc/12/94/58/605129458.db2.gz JQQBMIHEYJSNBA-GXMAMIFBSA-N -1 0 348.402 3.759 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCCN2C(=O)c1ccc(C(=O)[O-])nc1 ZINC000766576792 605136871 /nfs/dbraw/zinc/13/68/71/605136871.db2.gz KXBLJDMPDRNHRN-UHFFFAOYSA-N -1 0 338.407 3.670 20 0 EHADRM CC(=O)c1ccccc1OCCSCc1ccccc1CC(=O)[O-] ZINC000833403425 605140288 /nfs/dbraw/zinc/14/02/88/605140288.db2.gz KNRARNPJOZVLNY-UHFFFAOYSA-N -1 0 344.432 3.829 20 0 EHADRM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccc2sccc2c1 ZINC000832234853 605144228 /nfs/dbraw/zinc/14/42/28/605144228.db2.gz LNABLYMUWUNYLI-GOOCMWNKSA-N -1 0 344.436 3.695 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(Cl)ccc2C)cc1 ZINC000685018554 605147663 /nfs/dbraw/zinc/14/76/63/605147663.db2.gz JBZKGUQTMHEIIH-MRXNPFEDSA-N -1 0 347.798 3.603 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2cc(Cl)cc3cccnc32)CC1 ZINC000833772239 605148081 /nfs/dbraw/zinc/14/80/81/605148081.db2.gz LHHBLAQEXGLNFR-UHFFFAOYSA-N -1 0 332.787 3.718 20 0 EHADRM C[C@@H]1CSc2ccccc2N(C(=O)C2CCC(C(=O)[O-])CC2)C1 ZINC000833632627 605153498 /nfs/dbraw/zinc/15/34/98/605153498.db2.gz NMYRDNXRAZNERS-HSBZDZAISA-N -1 0 333.453 3.652 20 0 EHADRM CC(C)(C)Oc1cc(F)ccc1NC(=O)C1CCC(C(=O)[O-])CC1 ZINC000833447745 605154201 /nfs/dbraw/zinc/15/42/01/605154201.db2.gz RXNQCZUDQBFUMK-UHFFFAOYSA-N -1 0 337.391 3.833 20 0 EHADRM CC1(C)CC[C@@H]2C[C@H](NC(=O)CCSCC(=O)[O-])c3cccc1c32 ZINC000833558120 605161107 /nfs/dbraw/zinc/16/11/07/605161107.db2.gz DQBAJFSDVAFWFI-DOMZBBRYSA-N -1 0 347.480 3.611 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C)cc2C(=O)[O-])c1C(C)C ZINC000431989327 605161245 /nfs/dbraw/zinc/16/12/45/605161245.db2.gz AVGWIGDULMAGOL-UHFFFAOYSA-N -1 0 342.395 3.908 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)OCc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC000833606728 605164043 /nfs/dbraw/zinc/16/40/43/605164043.db2.gz UUOXXSVZTBYJAC-RISCZKNCSA-N -1 0 345.420 3.988 20 0 EHADRM CCC(CC)n1nc(C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1C ZINC000833641519 605165506 /nfs/dbraw/zinc/16/55/06/605165506.db2.gz DEDVAFOVPGCUPJ-MRXNPFEDSA-N -1 0 348.374 3.674 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2cccc([C@H]3CCCOC3)c2)c1 ZINC000668283838 605166042 /nfs/dbraw/zinc/16/60/42/605166042.db2.gz YSFNFOXOGUPYJI-ZDUSSCGKSA-N -1 0 331.393 3.593 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000316464779 605167444 /nfs/dbraw/zinc/16/74/44/605167444.db2.gz UZFQRJQHHINFCJ-VIFPVBQESA-N -1 0 336.800 3.553 20 0 EHADRM CC(C)(CNC(=O)Nc1cncc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC000833458901 605171690 /nfs/dbraw/zinc/17/16/90/605171690.db2.gz FQTNDSKCHVADGY-UHFFFAOYSA-N -1 0 347.802 3.533 20 0 EHADRM CC[C@H](NC(=O)Nc1cncc(C(=O)[O-])c1)c1ccc(Cl)s1 ZINC000833643592 605172598 /nfs/dbraw/zinc/17/25/98/605172598.db2.gz YWFJHXRGZYDQFP-JTQLQIEISA-N -1 0 339.804 3.768 20 0 EHADRM CC(C)(C)O[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000833446200 605181320 /nfs/dbraw/zinc/18/13/20/605181320.db2.gz QQMAHIVQGRWFLP-QGZVFWFLSA-N -1 0 341.407 3.557 20 0 EHADRM CC(C)(C)/C=C/C(=O)OCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833422445 605186653 /nfs/dbraw/zinc/18/66/53/605186653.db2.gz HTRRAPPZUVDSTK-CMDGGOBGSA-N -1 0 329.352 3.685 20 0 EHADRM CCC1(C(=O)OCc2coc(-c3ccc(C(=O)[O-])cc3)n2)CCC1 ZINC000833646882 605191931 /nfs/dbraw/zinc/19/19/31/605191931.db2.gz VPWUAPQCPPUGBO-UHFFFAOYSA-N -1 0 329.352 3.663 20 0 EHADRM CC[C@H](C)Oc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2C)ccn1 ZINC000190870342 605200542 /nfs/dbraw/zinc/20/05/42/605200542.db2.gz BYKVFSIBIXMQOQ-LBPRGKRZSA-N -1 0 328.368 3.518 20 0 EHADRM CC(C)(CCC(=O)N1C[C@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC000192961856 605210957 /nfs/dbraw/zinc/21/09/57/605210957.db2.gz VBQWCLGGOSSKFN-KRWDZBQOSA-N -1 0 337.419 3.959 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)c1ccc(-c2ccccc2)[nH]c1=O)C(=O)[O-] ZINC000833429142 605233930 /nfs/dbraw/zinc/23/39/30/605233930.db2.gz IGTGWVUJIFXFSQ-OAHLLOKOSA-N -1 0 343.379 3.500 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)c1csc(Br)c1)C(=O)[O-] ZINC000833430143 605233949 /nfs/dbraw/zinc/23/39/49/605233949.db2.gz UJLCEYLWHNNQPE-MRVPVSSYSA-N -1 0 335.219 3.557 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)c1cccc(C(F)(F)F)c1F)C(=O)[O-] ZINC000833429981 605235462 /nfs/dbraw/zinc/23/54/62/605235462.db2.gz RJBGPISZJJYPGR-SNVBAGLBSA-N -1 0 336.281 3.891 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN(C)Cc1cc(F)c(F)c(F)c1 ZINC000833678831 605247105 /nfs/dbraw/zinc/24/71/05/605247105.db2.gz PPQASKOPKZJIKU-UHFFFAOYSA-N -1 0 327.302 3.590 20 0 EHADRM Cc1nc(-c2cccc(NCC3CCN(C(=O)[O-])CC3)c2)oc1C ZINC000830691564 605248625 /nfs/dbraw/zinc/24/86/25/605248625.db2.gz PSEIJAPDEMNGNY-UHFFFAOYSA-N -1 0 329.400 3.760 20 0 EHADRM CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)CC(C)(C)CC(=O)[O-] ZINC000833693126 605257698 /nfs/dbraw/zinc/25/76/98/605257698.db2.gz LUAYBQSFZJWDSQ-LPHOPBHVSA-N -1 0 347.455 3.504 20 0 EHADRM C[C@@H](Nc1ccc(NC(=O)[O-])c(F)c1)C(=O)N[C@@H](C)c1ccccc1 ZINC000833527352 605263249 /nfs/dbraw/zinc/26/32/49/605263249.db2.gz YCAONPDEUIZQCW-NWDGAFQWSA-N -1 0 345.374 3.593 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CC[C@](C)(CCc2ccccc2)C1 ZINC000683304363 605264270 /nfs/dbraw/zinc/26/42/70/605264270.db2.gz VQTAZAFKGLSCQP-FQEVSTJZSA-N -1 0 331.456 3.749 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@H]2CCc3c2cccc3Cl)C1 ZINC000833415110 605267352 /nfs/dbraw/zinc/26/73/52/605267352.db2.gz JVVFLXFMEXIMML-DOMZBBRYSA-N -1 0 349.858 3.719 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833641600 605268506 /nfs/dbraw/zinc/26/85/06/605268506.db2.gz IEIYMIVESGKNIQ-AWEZNQCLSA-N -1 0 349.475 3.516 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(NC(=O)[O-])c(F)c1)c1c(F)cccc1F ZINC000833408733 605275176 /nfs/dbraw/zinc/27/51/76/605275176.db2.gz IOKJIGLPTFLNQP-MRVPVSSYSA-N -1 0 338.285 3.936 20 0 EHADRM Cc1c(NC(=O)Nc2ccc(NC(=O)[O-])c(F)c2)cnn1CC(C)C ZINC000833742695 605282368 /nfs/dbraw/zinc/28/23/68/605282368.db2.gz XBWWRILZWIKANM-UHFFFAOYSA-N -1 0 349.366 3.721 20 0 EHADRM C[C@H]1Cc2ccccc2CN1C(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833632887 605284014 /nfs/dbraw/zinc/28/40/14/605284014.db2.gz QRTMZGDGHNOBPD-NSHDSACASA-N -1 0 343.358 3.894 20 0 EHADRM C[C@@H]1CC[C@]2(CCN(C(=O)Nc3ccc(NC(=O)[O-])c(F)c3)C2)C1 ZINC000833610821 605284062 /nfs/dbraw/zinc/28/40/62/605284062.db2.gz LUBBNHPUNLYIBK-DIFFPNOSSA-N -1 0 335.379 3.960 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)Cc3ccc(F)cc3Cl)ccc21 ZINC000831557366 605290309 /nfs/dbraw/zinc/29/03/09/605290309.db2.gz FZBXQZMBEBCXMP-UHFFFAOYSA-N -1 0 348.761 3.701 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(-c2ccccc2)o1)c1ccccc1 ZINC000833773465 605330786 /nfs/dbraw/zinc/33/07/86/605330786.db2.gz VTNGPTZFSJYWFL-MRXNPFEDSA-N -1 0 335.359 3.892 20 0 EHADRM O=C([O-])c1cccc(COc2ncnc3sc4c(c32)CCCC4)c1 ZINC000833783657 605338746 /nfs/dbraw/zinc/33/87/46/605338746.db2.gz ZGPJGPAIBTVLES-UHFFFAOYSA-N -1 0 340.404 3.847 20 0 EHADRM CC(=O)Nc1ccc(N[C@H](C(=O)[O-])c2c(F)cccc2Cl)cc1 ZINC000833399652 605355006 /nfs/dbraw/zinc/35/50/06/605355006.db2.gz KYCNXXQMDBXRIO-HNNXBMFYSA-N -1 0 336.750 3.675 20 0 EHADRM CN(Cc1ccccc1NC(=O)[C@H]1CCCc2sccc21)C(=O)[O-] ZINC000828393563 605369807 /nfs/dbraw/zinc/36/98/07/605369807.db2.gz NCYIQUVZWDBDOF-AWEZNQCLSA-N -1 0 344.436 3.917 20 0 EHADRM CC(C)Oc1c(F)cc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1F ZINC000833505427 605375640 /nfs/dbraw/zinc/37/56/40/605375640.db2.gz KELNYZKPWYOWGI-WDEREUQCSA-N -1 0 341.354 3.582 20 0 EHADRM CN(Cc1cc(Cl)cn1C)[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833694563 605377070 /nfs/dbraw/zinc/37/70/70/605377070.db2.gz MQYBEIGCUUSTKI-AWEZNQCLSA-N -1 0 345.201 3.729 20 0 EHADRM CCC(CC)[C@@H]1C[C@H](NC(=O)Nc2ccc(C)c(C(=O)[O-])c2)CCO1 ZINC000833642183 605398139 /nfs/dbraw/zinc/39/81/39/605398139.db2.gz HMMJTZRXSLZQBD-WBVHZDCISA-N -1 0 348.443 3.799 20 0 EHADRM Cc1ccc(-c2[nH]nc(NC(=O)c3cccc(NC(=O)[O-])c3)c2C)o1 ZINC000830155587 605418320 /nfs/dbraw/zinc/41/83/20/605418320.db2.gz PUQGZCMHVDJDJT-UHFFFAOYSA-N -1 0 340.339 3.629 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)cc1 ZINC000833748610 605442739 /nfs/dbraw/zinc/44/27/39/605442739.db2.gz PQJOOHCRZLWSCR-AWEZNQCLSA-N -1 0 326.396 3.927 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N2CCc3cccc(F)c3C2)cc1 ZINC000834263001 605443505 /nfs/dbraw/zinc/44/35/05/605443505.db2.gz PLSQUTQTLMOKKR-UHFFFAOYSA-N -1 0 329.331 3.506 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000192869763 605454999 /nfs/dbraw/zinc/45/49/99/605454999.db2.gz DLPSFCMOGHHLDU-FCEWJHQRSA-N -1 0 339.435 3.752 20 0 EHADRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)Nc1ccc(Cl)cc1Cl ZINC000825830393 605471967 /nfs/dbraw/zinc/47/19/67/605471967.db2.gz FZICUMSLIJMTJF-WPRPVWTQSA-N -1 0 346.214 3.646 20 0 EHADRM C[C@H](NC(=O)[O-])C(=O)O[C@@H](C)c1ccc(SC(F)(F)F)cc1 ZINC000833531899 605488369 /nfs/dbraw/zinc/48/83/69/605488369.db2.gz FZNOMCLSKBEAJV-YUMQZZPRSA-N -1 0 337.319 3.559 20 0 EHADRM O=C([O-])N[C@@H](CC(=O)Nc1cncc2ccccc21)c1ccccc1 ZINC000834128027 605547419 /nfs/dbraw/zinc/54/74/19/605547419.db2.gz KKRPFLSVZLOESE-INIZCTEOSA-N -1 0 335.363 3.572 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N[C@@H]2CCCC(F)(F)C2)cc1 ZINC000825427705 605548235 /nfs/dbraw/zinc/54/82/35/605548235.db2.gz YBUJPCMYFVJUFA-ZWNOBZJWSA-N -1 0 341.358 3.715 20 0 EHADRM O=C([O-])N[C@@H](CC(=O)Nc1cccc2ncccc21)c1ccccc1 ZINC000832113281 605567368 /nfs/dbraw/zinc/56/73/68/605567368.db2.gz AAYNNVHSMUKDAO-KRWDZBQOSA-N -1 0 335.363 3.572 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000830471003 605571132 /nfs/dbraw/zinc/57/11/32/605571132.db2.gz DATSJBIAURKEPC-ZDUSSCGKSA-N -1 0 336.457 3.542 20 0 EHADRM CCCCn1ncc(NC(=O)Nc2ccc(NC(=O)[O-])cc2)c1C ZINC000826853201 605576324 /nfs/dbraw/zinc/57/63/24/605576324.db2.gz JGNBVPLNIQWPAW-UHFFFAOYSA-N -1 0 331.376 3.726 20 0 EHADRM Cc1cc(C(=O)Nc2nc(C(F)(F)F)cs2)ccc1NC(=O)[O-] ZINC000829972063 605613315 /nfs/dbraw/zinc/61/33/15/605613315.db2.gz UOOYKXAQDHSOQJ-UHFFFAOYSA-N -1 0 345.302 3.813 20 0 EHADRM CC[C@H](C)[C@@H](C)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000833638121 605615638 /nfs/dbraw/zinc/61/56/38/605615638.db2.gz KROBPHGWSACRPX-DTWKUNHWSA-N -1 0 328.206 3.768 20 0 EHADRM Cc1cc(C(=O)NCc2ccc([C@@H]3C[C@H]3C)o2)ccc1NC(=O)[O-] ZINC000829956656 605628348 /nfs/dbraw/zinc/62/83/48/605628348.db2.gz KFBIOJUUKLJLNM-QMTHXVAHSA-N -1 0 328.368 3.731 20 0 EHADRM O=C([O-])Nc1cccc(COc2cccc(Oc3ncccn3)c2)c1 ZINC000834268241 605635244 /nfs/dbraw/zinc/63/52/44/605635244.db2.gz GUJZQFJHABLALS-UHFFFAOYSA-N -1 0 337.335 3.938 20 0 EHADRM Cc1cc(C(=O)N2CC[C@H](c3cccc(F)c3)C2)ccc1NC(=O)[O-] ZINC000829924796 605678885 /nfs/dbraw/zinc/67/88/85/605678885.db2.gz KHNRSQUUINOLNK-HNNXBMFYSA-N -1 0 342.370 3.854 20 0 EHADRM CCCN(C[C@H]1CCCCO1)C(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000826907414 605679592 /nfs/dbraw/zinc/67/95/92/605679592.db2.gz OGDKJLXYLNYDQR-OAHLLOKOSA-N -1 0 334.416 3.506 20 0 EHADRM CCN(C(=O)c1ccc(NC(=O)[O-])c(C)c1)[C@H](C)c1cccnc1 ZINC000826983222 605692284 /nfs/dbraw/zinc/69/22/84/605692284.db2.gz HQBXVHVZPGPYFE-CYBMUJFWSA-N -1 0 327.384 3.703 20 0 EHADRM Cc1cc(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)ccc1NC(=O)[O-] ZINC000829939705 605692889 /nfs/dbraw/zinc/69/28/89/605692889.db2.gz GTBUCGADJUBLPX-IAQYHMDHSA-N -1 0 346.333 3.649 20 0 EHADRM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000833603871 605707510 /nfs/dbraw/zinc/70/75/10/605707510.db2.gz BWKHVLBTQDCRSF-KOLCDFICSA-N -1 0 330.306 3.580 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N2CCC[C@H]2c2ccsc2)c1 ZINC000834264994 605759538 /nfs/dbraw/zinc/75/95/38/605759538.db2.gz JUQIGKSYUMCBKV-HNNXBMFYSA-N -1 0 330.409 3.744 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N2CCCC[C@@H]2c2nccs2)c1 ZINC000834265069 605771799 /nfs/dbraw/zinc/77/17/99/605771799.db2.gz LJXIPNCUARSKDP-CQSZACIVSA-N -1 0 345.424 3.529 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)OCc2nc3ccccc3s2)c1 ZINC000834268453 605797150 /nfs/dbraw/zinc/79/71/50/605797150.db2.gz GMLRDBUTWQTVMB-UHFFFAOYSA-N -1 0 342.376 3.672 20 0 EHADRM Cc1nc2cc(NC(=O)c3ccc(NC(=O)[O-])c(C)c3)ccc2o1 ZINC000830784819 605804229 /nfs/dbraw/zinc/80/42/29/605804229.db2.gz BWOWAUAUWMXOSG-UHFFFAOYSA-N -1 0 325.324 3.787 20 0 EHADRM CC1(C)CN(C(=O)c2ccc(F)c(NC(=O)[O-])c2)c2ccccc2O1 ZINC000825735049 605805585 /nfs/dbraw/zinc/80/55/85/605805585.db2.gz UHEWYCWMBLUMHL-UHFFFAOYSA-N -1 0 344.342 3.733 20 0 EHADRM O=C([O-])N[C@H]1C[C@H](Nc2ccc3c(c2)OCCCO3)c2ccccc21 ZINC000834158106 605808225 /nfs/dbraw/zinc/80/82/25/605808225.db2.gz MJLXEFBUJIBZIL-HOTGVXAUSA-N -1 0 340.379 3.714 20 0 EHADRM CC(C)Oc1cccc(C(=O)OCc2cc(C(=O)[O-])ccc2Cl)n1 ZINC000833506737 605820012 /nfs/dbraw/zinc/82/00/12/605820012.db2.gz JKWRKXNTHKHTDJ-UHFFFAOYSA-N -1 0 349.770 3.577 20 0 EHADRM COC1CCC(CC(=O)OCc2cc(C(=O)[O-])ccc2Cl)CC1 ZINC000833719588 605820669 /nfs/dbraw/zinc/82/06/69/605820669.db2.gz RGRRDNKQNCYKHY-UHFFFAOYSA-N -1 0 340.803 3.677 20 0 EHADRM O=C([O-])N1CCC2(CCN(C(=O)c3csc4ccccc34)C2)CC1 ZINC000834091149 605874286 /nfs/dbraw/zinc/87/42/86/605874286.db2.gz GCTYEBVFAZKNPS-UHFFFAOYSA-N -1 0 344.436 3.507 20 0 EHADRM CCCN(C(=O)c1cc(C)n(C(C)C)c1C)C1CCN(C(=O)[O-])CC1 ZINC000826879231 605880524 /nfs/dbraw/zinc/88/05/24/605880524.db2.gz IJNCVZWHGOBCKT-UHFFFAOYSA-N -1 0 349.475 3.680 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2c[nH]nc2-c2ccccc2)ccc1F ZINC000834255583 605960640 /nfs/dbraw/zinc/96/06/40/605960640.db2.gz HTNQDQACFPGKBG-UHFFFAOYSA-N -1 0 340.314 3.558 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCCSc1ccccc1 ZINC000833906460 606010471 /nfs/dbraw/zinc/01/04/71/606010471.db2.gz DRYLJXBMEISYCR-UHFFFAOYSA-N -1 0 345.424 3.999 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCCO[C@@H]1CCCC[C@@H]1C ZINC000833906851 606011268 /nfs/dbraw/zinc/01/12/68/606011268.db2.gz OIJVZQRGTWRQLB-XJKSGUPXSA-N -1 0 349.431 3.802 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCCC[C@H]1CCCC[C@@H]1O ZINC000833907171 606012722 /nfs/dbraw/zinc/01/27/22/606012722.db2.gz YZLVUEFLYLVJID-CJNGLKHVSA-N -1 0 349.431 3.538 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)[C@@H](c3ccccc3)C3CC3)ccc21 ZINC000834052658 606033186 /nfs/dbraw/zinc/03/31/86/606033186.db2.gz IQPWKQQYEYIHAC-SFHVURJKSA-N -1 0 336.391 3.859 20 0 EHADRM CC(C)[C@H](NC(=O)Cc1ccccc1NC(=O)[O-])c1ccccc1 ZINC000833792939 606042242 /nfs/dbraw/zinc/04/22/42/606042242.db2.gz PUFNWHQPKZYZOS-SFHVURJKSA-N -1 0 326.396 3.833 20 0 EHADRM CCOc1cc(NC(=O)Cc2ccccc2NC(=O)[O-])ccc1C ZINC000833862048 606056679 /nfs/dbraw/zinc/05/66/79/606056679.db2.gz QUEZTUCBDWTIAH-UHFFFAOYSA-N -1 0 328.368 3.665 20 0 EHADRM C[C@@H](OC(=O)Cc1ccccc1NC(=O)[O-])c1c(F)cccc1F ZINC000833896220 606091208 /nfs/dbraw/zinc/09/12/08/606091208.db2.gz UTAVOTWWZJKTMA-SNVBAGLBSA-N -1 0 335.306 3.902 20 0 EHADRM C[C@H](C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1)c1cccs1 ZINC000181903532 939034201 /nfs/dbraw/zinc/03/42/01/939034201.db2.gz OEORNSMHOBUGSO-SDBXPKJASA-N -1 0 341.791 3.586 20 0 EHADRM Cc1cc(F)ccc1C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000191477525 939037310 /nfs/dbraw/zinc/03/73/10/939037310.db2.gz XVIBLFXYIRFVAD-SFHVURJKSA-N -1 0 337.350 3.843 20 0 EHADRM COCc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)cc1 ZINC000191490467 939038459 /nfs/dbraw/zinc/03/84/59/939038459.db2.gz FNDQWGGKPDNOQR-IBGZPJMESA-N -1 0 349.386 3.542 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000236900882 939044824 /nfs/dbraw/zinc/04/48/24/939044824.db2.gz MSUGIICKIBWNFG-LIRRHRJNSA-N -1 0 341.407 3.521 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)NC3(C(=O)[O-])CCC3)c(F)c2)cc1C ZINC000237714087 939048375 /nfs/dbraw/zinc/04/83/75/939048375.db2.gz ZCGJQORGRDRAJS-UHFFFAOYSA-N -1 0 341.382 3.847 20 0 EHADRM O=C([O-])[C@H](NC(=O)CSCc1cccc(Cl)c1)c1ccccc1 ZINC000238017338 939054767 /nfs/dbraw/zinc/05/47/67/939054767.db2.gz IXYDPRUDPAUPLX-MRXNPFEDSA-N -1 0 349.839 3.515 20 0 EHADRM O=C([O-])C1(NC(=O)CCSc2ccccc2Cl)CCCCC1 ZINC000238078419 939056960 /nfs/dbraw/zinc/05/69/60/939056960.db2.gz YLMPQIBFVKAGLU-UHFFFAOYSA-N -1 0 341.860 3.726 20 0 EHADRM O=C([O-])[C@H](NC(=O)/C=C/c1ccccc1F)c1ccc2ccccc2c1 ZINC000762207361 939071833 /nfs/dbraw/zinc/07/18/33/939071833.db2.gz QTCIAFMPSSPAGT-YVNCXZRQSA-N -1 0 349.361 3.934 20 0 EHADRM Cc1cc(C)cc([C@H](NC(=O)CCCc2cccs2)C(=O)[O-])c1 ZINC000263178516 939107159 /nfs/dbraw/zinc/10/71/59/939107159.db2.gz WUQUDUAVYIPPFF-KRWDZBQOSA-N -1 0 331.437 3.630 20 0 EHADRM C[C@@H](CC(=O)N[C@](C)(C(=O)[O-])c1ccc(F)cc1)c1ccc(F)cc1 ZINC000263284996 939112769 /nfs/dbraw/zinc/11/27/69/939112769.db2.gz ZGXSZHASJMIAJJ-BUXKBTBVSA-N -1 0 347.361 3.575 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)N[C@H](C(=O)[O-])c2ccccc2)c(C)s1 ZINC000322183650 939124674 /nfs/dbraw/zinc/12/46/74/939124674.db2.gz AQZLZMWHSPENOA-ABAIWWIYSA-N -1 0 332.425 3.551 20 0 EHADRM CCCCS[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000345814295 939128482 /nfs/dbraw/zinc/12/84/82/939128482.db2.gz VVQPZNXJBCYGNA-NOZJJQNGSA-N -1 0 347.839 3.643 20 0 EHADRM CCC1CCC(NC(=O)c2cc(C)n(C(C)C)c2C)(C(=O)[O-])CC1 ZINC000346002404 939128497 /nfs/dbraw/zinc/12/84/97/939128497.db2.gz AKGARHQOMZIAFY-UHFFFAOYSA-N -1 0 334.460 3.839 20 0 EHADRM O=C([O-])[C@H](NC(=O)CC1(CCc2ccccc2)CCCC1)C1CC1 ZINC000347467262 939129063 /nfs/dbraw/zinc/12/90/63/939129063.db2.gz RJNSZRYNTRJPBE-GOSISDBHSA-N -1 0 329.440 3.549 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CC1(CCc2ccccc2)CCCC1)C1CC1 ZINC000347467265 939129221 /nfs/dbraw/zinc/12/92/21/939129221.db2.gz RJNSZRYNTRJPBE-SFHVURJKSA-N -1 0 329.440 3.549 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000425245101 939141628 /nfs/dbraw/zinc/14/16/28/939141628.db2.gz TYEJVGJTELVCHV-CJNGLKHVSA-N -1 0 331.437 3.567 20 0 EHADRM CCC[C@@H](NC(=O)NC1(C(=O)[O-])CCCC1)c1ccc(F)cc1F ZINC000780660559 939144415 /nfs/dbraw/zinc/14/44/15/939144415.db2.gz TYDXCIQMWMLVLM-CQSZACIVSA-N -1 0 340.370 3.503 20 0 EHADRM Cc1ccc([C@H](NC(=O)Nc2nc(C3CC3)cs2)C(=O)[O-])cc1C ZINC000788320726 939149894 /nfs/dbraw/zinc/14/98/94/939149894.db2.gz DTOSYLICOGAPLP-AWEZNQCLSA-N -1 0 345.424 3.585 20 0 EHADRM COc1ccc([C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C(=O)[O-])cc1 ZINC000431769725 939153272 /nfs/dbraw/zinc/15/32/72/939153272.db2.gz IXLCPSYBMKMBEG-SCNOPHJPSA-N -1 0 345.439 3.544 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cccn1C1CCCC1)c1ccc(Cl)cc1 ZINC000431800033 939159872 /nfs/dbraw/zinc/15/98/72/939159872.db2.gz NQPPFNXORJYEEJ-INIZCTEOSA-N -1 0 346.814 3.812 20 0 EHADRM O=C([O-])[C@@H](NC(=O)NCc1ccsc1)c1cccc2ccccc21 ZINC000797707308 939164590 /nfs/dbraw/zinc/16/45/90/939164590.db2.gz PVCBBUCCEBWTKK-INIZCTEOSA-N -1 0 340.404 3.526 20 0 EHADRM CCOc1ccc([C@H](C)NC(=O)NC2(C(=O)[O-])CCCCCC2)cc1 ZINC000797710600 939169131 /nfs/dbraw/zinc/16/91/31/939169131.db2.gz FXDPNQAZEPJRBK-AWEZNQCLSA-N -1 0 348.443 3.623 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2ccc(SC(F)F)cc2)CCCCC1 ZINC000797733455 939196738 /nfs/dbraw/zinc/19/67/38/939196738.db2.gz AYXDQRWZUPOGIO-UHFFFAOYSA-N -1 0 344.383 3.910 20 0 EHADRM CCCCCc1ccc(NC(=O)N[C@H](C(=O)[O-])c2cccnc2)cc1 ZINC000797735610 939198203 /nfs/dbraw/zinc/19/82/03/939198203.db2.gz RXWVRRFSAWHRSU-KRWDZBQOSA-N -1 0 341.411 3.762 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cccc2c1CCC2)c1ccc(Cl)c(F)c1 ZINC000439915926 939203541 /nfs/dbraw/zinc/20/35/41/939203541.db2.gz YSPCXZDKTWJEJM-MRXNPFEDSA-N -1 0 347.773 3.524 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cccc2c1CCC2)c1ccc2ccccc2c1 ZINC000439934036 939203981 /nfs/dbraw/zinc/20/39/81/939203981.db2.gz ZEOKAJFTIADLFW-HXUWFJFHSA-N -1 0 345.398 3.884 20 0 EHADRM CC(C)c1ccc(SCC(=O)N[C@H](C(=O)[O-])c2cccs2)cc1 ZINC000448987501 939205037 /nfs/dbraw/zinc/20/50/37/939205037.db2.gz BIAZLSZXHDDMPW-INIZCTEOSA-N -1 0 349.477 3.906 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@H]1CC=CCC1)c1ccc(Cl)cc1Cl ZINC000449005255 939207243 /nfs/dbraw/zinc/20/72/43/939207243.db2.gz UMDMCWDLNPBVQT-TVQRCGJNSA-N -1 0 328.195 3.592 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000828081102 939220097 /nfs/dbraw/zinc/22/00/97/939220097.db2.gz NYOHJTDQUMFRAP-HNNXBMFYSA-N -1 0 337.322 3.545 20 0 EHADRM CCc1cc(C(=O)N[C@](CC)(C(=O)[O-])c2ccccc2)sc1C ZINC000485371891 939227897 /nfs/dbraw/zinc/22/78/97/939227897.db2.gz RCPJOCWPALUWOM-SFHVURJKSA-N -1 0 331.437 3.739 20 0 EHADRM CC[C@@](NC(=O)Cc1ccccc1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507285591 939231547 /nfs/dbraw/zinc/23/15/47/939231547.db2.gz ZPWSFEPFUJKPJJ-IBGZPJMESA-N -1 0 345.826 3.697 20 0 EHADRM Cc1cc(C)cc(NC(=O)N[C@H](C(=O)[O-])c2ccc(F)c(C)c2)c1 ZINC000515030859 939239577 /nfs/dbraw/zinc/23/95/77/939239577.db2.gz DIMZPLJETZDGBL-INIZCTEOSA-N -1 0 330.359 3.698 20 0 EHADRM C[C@](NC(=O)CCc1ccc(C(F)F)cc1)(C(=O)[O-])c1ccccc1 ZINC000864115272 939247507 /nfs/dbraw/zinc/24/75/07/939247507.db2.gz QNCBSHGCEBPRMB-LJQANCHMSA-N -1 0 347.361 3.673 20 0 EHADRM CCC1CCC(NC(=O)c2sc(C(C)C)nc2C)(C(=O)[O-])CC1 ZINC000537403530 939269448 /nfs/dbraw/zinc/26/94/48/939269448.db2.gz PDBJRHLOFFIVCM-UHFFFAOYSA-N -1 0 338.473 3.728 20 0 EHADRM CC[C@@H](C)Sc1ccc(NC(=O)N[C@H](C(=O)[O-])C2CC2)c(C)c1 ZINC000900332912 939275850 /nfs/dbraw/zinc/27/58/50/939275850.db2.gz GJBLDFYVFMWUBA-ABAIWWIYSA-N -1 0 336.457 3.870 20 0 EHADRM Cc1cc(SC(C)(C)C)ccc1NC(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000900333128 939276029 /nfs/dbraw/zinc/27/60/29/939276029.db2.gz JTJGURZHYNKOKS-AWEZNQCLSA-N -1 0 336.457 3.870 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N[C@@](C)(C(=O)[O-])C2CC2)c(Cl)c1 ZINC000900342601 939277765 /nfs/dbraw/zinc/27/77/65/939277765.db2.gz RERVSZKZZJQANI-MRXNPFEDSA-N -1 0 340.807 3.502 20 0 EHADRM O=C([O-])C1(NC(=O)c2cccc(C(F)F)c2F)CCCCCC1 ZINC000901997340 939281800 /nfs/dbraw/zinc/28/18/00/939281800.db2.gz BZYAZROKURTBMD-UHFFFAOYSA-N -1 0 329.318 3.671 20 0 EHADRM Cc1cccc([C@@H](C)C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000540667066 939289454 /nfs/dbraw/zinc/28/94/54/939289454.db2.gz SCHOBQLYJMYXOC-BZNIZROVSA-N -1 0 349.789 3.833 20 0 EHADRM O=C([O-])C1(NC(=O)NCCc2csc3ccccc23)CCCCC1 ZINC000561533685 939319380 /nfs/dbraw/zinc/31/93/80/939319380.db2.gz AOQJNCPLRGLJIC-UHFFFAOYSA-N -1 0 346.452 3.531 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)N[C@H](C(=O)[O-])c2ccsc2)c1C ZINC000562458242 939331035 /nfs/dbraw/zinc/33/10/35/939331035.db2.gz QNUXVGJNOMCQBV-DOMZBBRYSA-N -1 0 332.425 3.551 20 0 EHADRM COc1ccc([C@@H](NC(=O)Nc2ccc(C(C)C)cc2)C(=O)[O-])cc1 ZINC000563855615 939341604 /nfs/dbraw/zinc/34/16/04/939341604.db2.gz XWIYXBLVZRNWNE-QGZVFWFLSA-N -1 0 342.395 3.766 20 0 EHADRM CSCc1ccc(NC(=O)N[C@H](C(=O)[O-])c2cccs2)cc1 ZINC000566893085 939357900 /nfs/dbraw/zinc/35/79/00/939357900.db2.gz DQNNBFLZLQDHAS-ZDUSSCGKSA-N -1 0 336.438 3.559 20 0 EHADRM O=C([O-])[C@@H](NC(=O)NCc1csc2ccccc12)c1ccccc1 ZINC000567302207 939360668 /nfs/dbraw/zinc/36/06/68/939360668.db2.gz UATRXIAMKHNZPC-INIZCTEOSA-N -1 0 340.404 3.526 20 0 EHADRM COc1ccc([C@H](NC(=O)[C@H](C)CC2CCCCC2)C(=O)[O-])cc1 ZINC000568914958 939371069 /nfs/dbraw/zinc/37/10/69/939371069.db2.gz BTGFUCPFPZVMNK-DYVFJYSZSA-N -1 0 333.428 3.544 20 0 EHADRM Cc1ccc(CCCCC(=O)N[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC000569825867 939378383 /nfs/dbraw/zinc/37/83/83/939378383.db2.gz NVEPQGMBCHHJKQ-KRWDZBQOSA-N -1 0 331.437 3.711 20 0 EHADRM CSCCCCC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000909528201 939402625 /nfs/dbraw/zinc/40/26/25/939402625.db2.gz ORGBVABNDSWGQG-QGZVFWFLSA-N -1 0 331.437 3.615 20 0 EHADRM Cc1ccc([C@H](NC(=O)Nc2cccc(Cl)c2)C(=O)[O-])cc1C ZINC000576808865 939741994 /nfs/dbraw/zinc/74/19/94/939741994.db2.gz UIDSKWCFCRHEKT-HNNXBMFYSA-N -1 0 332.787 3.904 20 0 EHADRM CC(F)(F)c1cccc(NC(=O)NC2(C(=O)[O-])CCCCC2)c1 ZINC000576800687 939742076 /nfs/dbraw/zinc/74/20/76/939742076.db2.gz XNXWTHLWXTYABP-UHFFFAOYSA-N -1 0 326.343 3.707 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21)C(F)(F)F ZINC000910937402 939761113 /nfs/dbraw/zinc/76/11/13/939761113.db2.gz REYDOSHFLHFHDT-ZUZCIYMTSA-N -1 0 339.313 3.670 20 0 EHADRM CCc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1 ZINC000581055889 939775830 /nfs/dbraw/zinc/77/58/30/939775830.db2.gz OSGZLQRNUTXDPN-QGZVFWFLSA-N -1 0 326.396 3.813 20 0 EHADRM CCCCCCOc1ccc(C(=O)NC2(C(=O)[O-])CCCC2)cc1 ZINC000914730632 939782935 /nfs/dbraw/zinc/78/29/35/939782935.db2.gz XFLWVQKUHCIAQQ-UHFFFAOYSA-N -1 0 333.428 3.773 20 0 EHADRM Cc1ccc(NC(=O)N[C@H](C(=O)[O-])c2cccc(C)c2C)cc1C ZINC000582523887 939785279 /nfs/dbraw/zinc/78/52/79/939785279.db2.gz LPKKZDWCRPVQAB-KRWDZBQOSA-N -1 0 326.396 3.868 20 0 EHADRM Cc1ccc([C@H](NC(=O)Nc2ccc(C)c(F)c2)C(=O)[O-])cc1C ZINC000584567858 939799348 /nfs/dbraw/zinc/79/93/48/939799348.db2.gz DOKIIMFICRBXLH-INIZCTEOSA-N -1 0 330.359 3.698 20 0 EHADRM CO[C@@H]1CCC[C@H]([C@@H](NC(=O)CCC2CCCCCC2)C(=O)[O-])C1 ZINC000656246628 939843173 /nfs/dbraw/zinc/84/31/73/939843173.db2.gz SMXMXTXAEUODGT-LZLYRXPVSA-N -1 0 339.476 3.512 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)c1 ZINC000656505701 939843907 /nfs/dbraw/zinc/84/39/07/939843907.db2.gz LYMQGFNEZPUVNK-LXIYXOSZSA-N -1 0 334.416 3.549 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)[C@@H](C(=O)[O-])C3CCCC3)cc2)cs1 ZINC000663094513 939854305 /nfs/dbraw/zinc/85/43/05/939854305.db2.gz NZUSEORAYBDJAX-INIZCTEOSA-N -1 0 344.436 3.948 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1ccc(Cc2ccncc2)cc1)C1CCCC1 ZINC000663094383 939854369 /nfs/dbraw/zinc/85/43/69/939854369.db2.gz AGJKYTFSPDKCLP-GOSISDBHSA-N -1 0 338.407 3.502 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000675981028 939865550 /nfs/dbraw/zinc/86/55/50/939865550.db2.gz DULZVSDXLONUEI-FOIQADDNSA-N -1 0 325.408 3.605 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)N[C@H](C(=O)[O-])C2CCCCC2)c1 ZINC000679558551 939869973 /nfs/dbraw/zinc/86/99/73/939869973.db2.gz ASAWTLHXRXLABK-LRDDRELGSA-N -1 0 334.416 3.549 20 0 EHADRM COc1cc(Cl)ccc1-c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000321434251 970771788 /nfs/dbraw/zinc/77/17/88/970771788.db2.gz FDQXCJQJNOPWEQ-UHFFFAOYSA-N -1 0 330.727 3.764 20 0 EHADRM CCCCCC(C)(C)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000321716944 970800615 /nfs/dbraw/zinc/80/06/15/970800615.db2.gz GVVFPIUNPPHPMP-UHFFFAOYSA-N -1 0 341.473 3.578 20 0 EHADRM O=C([O-])[C@H]1CCCCCN1C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000321796260 970808796 /nfs/dbraw/zinc/80/87/96/970808796.db2.gz SIKVCQASDKQZIO-GFCCVEGCSA-N -1 0 347.358 3.768 20 0 EHADRM Cc1ccc(SC[C@@H](C)NC(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC001600484564 970813921 /nfs/dbraw/zinc/81/39/21/970813921.db2.gz NXYUTHJALFFHKT-CYBMUJFWSA-N -1 0 329.421 3.604 20 0 EHADRM O=C([O-])c1ccc([N+](=O)[O-])c(Oc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000322100391 970846965 /nfs/dbraw/zinc/84/69/65/970846965.db2.gz JEADIPANZGIQMK-UHFFFAOYSA-N -1 0 338.659 3.647 20 0 EHADRM C[C@H]1C[C@H](NC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C[C@@H](C)C1 ZINC000322193449 970857316 /nfs/dbraw/zinc/85/73/16/970857316.db2.gz QWCHDCIXPIWXGX-MYJAWHEDSA-N -1 0 326.343 3.609 20 0 EHADRM C[C@@H](c1cccs1)N(C)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000322363452 970878810 /nfs/dbraw/zinc/87/88/10/970878810.db2.gz BWEKEIKSTBALBL-LBPRGKRZSA-N -1 0 332.425 3.990 20 0 EHADRM O=C([O-])c1ccc(F)c(COc2c(F)c(F)c(F)c(F)c2F)c1 ZINC000322792428 970929291 /nfs/dbraw/zinc/92/92/91/970929291.db2.gz PHEOKRMAJWNGHM-UHFFFAOYSA-N -1 0 336.187 3.798 20 0 EHADRM N#Cc1ccc(CN2CC[C@H](C(=O)[O-])c3ccccc32)c(Cl)c1 ZINC000323215949 970977877 /nfs/dbraw/zinc/97/78/77/970977877.db2.gz TZNVGGCKYJQQRF-HNNXBMFYSA-N -1 0 326.783 3.790 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cccc(CCC(=O)[O-])c1)SC ZINC000323433642 971004358 /nfs/dbraw/zinc/00/43/58/971004358.db2.gz QSQHAFUOKYRSSA-UHFFFAOYSA-N -1 0 338.473 3.747 20 0 EHADRM C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000323459361 971007430 /nfs/dbraw/zinc/00/74/30/971007430.db2.gz VSRWSRCQGCEMRS-OPRDCNLKSA-N -1 0 326.343 3.561 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)/C=C\c1ccc(Cl)cc1 ZINC000323901495 971055166 /nfs/dbraw/zinc/05/51/66/971055166.db2.gz JVXKMZLYBXCVJY-CLOOOTJHSA-N -1 0 335.831 3.893 20 0 EHADRM Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)c(C(=O)[O-])c1 ZINC000323907390 971056645 /nfs/dbraw/zinc/05/66/45/971056645.db2.gz DWFYGUWTNSKXMR-UHFFFAOYSA-N -1 0 341.388 3.647 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000323946378 971064674 /nfs/dbraw/zinc/06/46/74/971064674.db2.gz BSDYKDLEVZCYPN-KOLCDFICSA-N -1 0 326.343 3.753 20 0 EHADRM CCC1CCC(NC(=O)c2ccc(C(F)(F)F)cc2)(C(=O)[O-])CC1 ZINC000323936467 971062274 /nfs/dbraw/zinc/06/22/74/971062274.db2.gz BKNKIOLEABCYME-UHFFFAOYSA-N -1 0 343.345 3.859 20 0 EHADRM CCC(CC)(C(=O)[O-])c1csc(NCc2ccccc2OC)n1 ZINC000324029882 971076465 /nfs/dbraw/zinc/07/64/65/971076465.db2.gz PKJLLCGUCLBVFF-UHFFFAOYSA-N -1 0 334.441 3.906 20 0 EHADRM O=C([O-])[C@@H]1Cc2ccccc2N(C(=O)/C=C\c2ccc(Cl)s2)C1 ZINC000324083366 971082923 /nfs/dbraw/zinc/08/29/23/971082923.db2.gz LQFLYPJVZLEKAR-XYLWRLHESA-N -1 0 347.823 3.705 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N[C@H]1C[C@H](c2ccccc2F)C1 ZINC001611513844 971089575 /nfs/dbraw/zinc/08/95/75/971089575.db2.gz BPSUJLOHMYBUAY-HDJSIYSDSA-N -1 0 342.370 3.521 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1c1ccnc(CSc2ccccc2)n1 ZINC001601949518 971093036 /nfs/dbraw/zinc/09/30/36/971093036.db2.gz HMYHNVULLVTOHX-AWEZNQCLSA-N -1 0 343.452 3.603 20 0 EHADRM Cc1ccccc1-c1noc(COc2ccc(Cl)cc2C(=O)[O-])n1 ZINC000324354673 971111998 /nfs/dbraw/zinc/11/19/98/971111998.db2.gz AVXOZUWGXPMABN-UHFFFAOYSA-N -1 0 344.754 3.976 20 0 EHADRM CC(C)COc1cccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC000324470109 971123670 /nfs/dbraw/zinc/12/36/70/971123670.db2.gz KICMFXKMCKLABL-UHFFFAOYSA-N -1 0 331.343 3.811 20 0 EHADRM COc1ccc(CN(C)C(=O)Nc2ccc(Cl)cc2C(=O)[O-])cc1 ZINC000324502519 971127144 /nfs/dbraw/zinc/12/71/44/971127144.db2.gz LBVQATNRDWITOM-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)NC(C2CCC2)C2CCC2)cc1 ZINC000324573199 971133582 /nfs/dbraw/zinc/13/35/82/971133582.db2.gz LTMXDTNDRFIDNR-UHFFFAOYSA-N -1 0 330.428 3.794 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2cc(C(=O)[O-])ccc2F)o1 ZINC000324581215 971134764 /nfs/dbraw/zinc/13/47/64/971134764.db2.gz AULNOSAWPMRGMB-MFKMUULPSA-N -1 0 331.343 3.812 20 0 EHADRM CCCc1ccc(NC(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)cc1 ZINC000324580108 971134883 /nfs/dbraw/zinc/13/48/83/971134883.db2.gz ZSCSLDFNCMXKMS-HNNXBMFYSA-N -1 0 344.333 3.510 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000324638773 971142063 /nfs/dbraw/zinc/14/20/63/971142063.db2.gz WRJNZPTUCZOUEI-LLVKDONJSA-N -1 0 348.786 3.686 20 0 EHADRM COc1ccc(NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000324668909 971145663 /nfs/dbraw/zinc/14/56/63/971145663.db2.gz JZXMWUGVESOWBS-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM Cc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000324728764 971152848 /nfs/dbraw/zinc/15/28/48/971152848.db2.gz INRJKMNKTNVJHT-UHFFFAOYSA-N -1 0 337.297 3.893 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2cccc(-c3cnco3)c2)CCCC1 ZINC000324775635 971155960 /nfs/dbraw/zinc/15/59/60/971155960.db2.gz FQSLLQSUFASDIE-UHFFFAOYSA-N -1 0 328.368 3.705 20 0 EHADRM CCCc1ccccc1NC(=O)NCCc1ccccc1C(=O)[O-] ZINC000324949679 971172460 /nfs/dbraw/zinc/17/24/60/971172460.db2.gz TWPVGCFKQMQZJL-UHFFFAOYSA-N -1 0 326.396 3.702 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)N1CCCc2ccccc2C1 ZINC000325047839 971180121 /nfs/dbraw/zinc/18/01/21/971180121.db2.gz RVLWEBKHGUIXCU-UHFFFAOYSA-N -1 0 328.343 3.504 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(Cc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000325228399 971195058 /nfs/dbraw/zinc/19/50/58/971195058.db2.gz DKICKUYMAIKCIM-UHFFFAOYSA-N -1 0 346.770 3.505 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)N(Cc2cccs2)C(C)C)c1 ZINC000325454017 971216936 /nfs/dbraw/zinc/21/69/36/971216936.db2.gz YLSIEZZBUQSLML-UHFFFAOYSA-N -1 0 348.424 3.897 20 0 EHADRM CCCC1CCC(NC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)CC1 ZINC000325482532 971220540 /nfs/dbraw/zinc/22/05/40/971220540.db2.gz WKBFVGJOPQXDMP-HWOWSKLDSA-N -1 0 338.492 3.878 20 0 EHADRM O=C([O-])c1cncc(NC(=O)N(Cc2ccc(Cl)cc2)C2CC2)c1 ZINC001602540570 971220870 /nfs/dbraw/zinc/22/08/70/971220870.db2.gz DUQOXZADZQJHAE-UHFFFAOYSA-N -1 0 345.786 3.630 20 0 EHADRM CC(C)[C@H]1CCCN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CC1 ZINC000325542943 971225249 /nfs/dbraw/zinc/22/52/49/971225249.db2.gz HCUKYYZHTAHUSF-NSHDSACASA-N -1 0 340.370 3.953 20 0 EHADRM O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)CCc1ccccc1 ZINC000325558633 971226340 /nfs/dbraw/zinc/22/63/40/971226340.db2.gz LTPPLWBUDZCSQF-UHFFFAOYSA-N -1 0 337.297 3.975 20 0 EHADRM O=Cc1c(OCc2cc(F)ccc2-c2nn[nH]n2)ccc2ccccc21 ZINC000823551606 946445866 /nfs/dbraw/zinc/44/58/66/946445866.db2.gz XAJOHUODXGXSDW-UHFFFAOYSA-N -1 0 348.337 3.551 20 0 EHADRM CSCc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000325858074 971249328 /nfs/dbraw/zinc/24/93/28/971249328.db2.gz HKCHPAMRYFJBAL-MRXNPFEDSA-N -1 0 341.432 3.768 20 0 EHADRM Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000325958019 971257759 /nfs/dbraw/zinc/25/77/59/971257759.db2.gz OSULSCDGDKNAKO-UHFFFAOYSA-N -1 0 346.339 3.801 20 0 EHADRM O=C([O-])C1(NC(=O)c2cnc(Cl)c3ccccc23)CCCCCC1 ZINC000325993282 971259808 /nfs/dbraw/zinc/25/98/08/971259808.db2.gz DJTLVTFFFDUYSG-UHFFFAOYSA-N -1 0 346.814 3.796 20 0 EHADRM CC(C)(C)c1cc(C(=O)Nc2ccccc2CC(=O)[O-])cc(Cl)n1 ZINC000326109842 971268036 /nfs/dbraw/zinc/26/80/36/971268036.db2.gz AWVBLZZCJLKVTE-UHFFFAOYSA-N -1 0 346.814 3.912 20 0 EHADRM CCc1ccc(NC(=O)N(C)Cc2ccc(F)cc2)c(C(=O)[O-])c1 ZINC000326536319 971301730 /nfs/dbraw/zinc/30/17/30/971301730.db2.gz JDTDEFIJNNZNEL-UHFFFAOYSA-N -1 0 330.359 3.750 20 0 EHADRM C[C@H](CCc1ccccc1)NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000326576745 971305316 /nfs/dbraw/zinc/30/53/16/971305316.db2.gz ACBQWNCGRUMUKV-LLVKDONJSA-N -1 0 348.349 3.806 20 0 EHADRM Cc1c2ccccc2oc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000326571311 971305363 /nfs/dbraw/zinc/30/53/63/971305363.db2.gz WICKDPYWOYWRSM-UHFFFAOYSA-N -1 0 331.274 3.970 20 0 EHADRM CCCCc1ccc(CC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC000326681873 971316270 /nfs/dbraw/zinc/31/62/70/971316270.db2.gz NNIBUFIGTZLLGI-FHWLQOOXSA-N -1 0 343.467 3.816 20 0 EHADRM C[C@H](CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])CC(C)(C)C ZINC000326769858 971326128 /nfs/dbraw/zinc/32/61/28/971326128.db2.gz QSSAYQKZFQZGDO-CXAGYDPISA-N -1 0 344.455 3.742 20 0 EHADRM CCOc1ccc(C(C)=O)cc1CN(C)Cc1ccc(C(=O)[O-])cc1 ZINC000326873467 971339008 /nfs/dbraw/zinc/33/90/08/971339008.db2.gz ZVBJTQUSDOWFMC-UHFFFAOYSA-N -1 0 341.407 3.618 20 0 EHADRM O=C([O-])c1ccc([N+](=O)[O-])c(OCc2csc(-c3ccco3)n2)c1 ZINC000326911493 971344659 /nfs/dbraw/zinc/34/46/59/971344659.db2.gz OMNCTVBCWDLIEQ-UHFFFAOYSA-N -1 0 346.320 3.589 20 0 EHADRM Cc1ccc2c(CC(=O)Nc3cc(F)c(C(=O)[O-])c(F)c3)coc2c1 ZINC000327029440 971357529 /nfs/dbraw/zinc/35/75/29/971357529.db2.gz IAKXVTFIEXHGSL-UHFFFAOYSA-N -1 0 345.301 3.899 20 0 EHADRM Cc1ccccc1OCCC(=O)N(CCC(=O)[O-])c1ccccc1C ZINC000327056347 971360831 /nfs/dbraw/zinc/36/08/31/971360831.db2.gz YXUHBDGLJHBKRT-UHFFFAOYSA-N -1 0 341.407 3.580 20 0 EHADRM Cc1cc(C)c(NC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)c(C)c1 ZINC000327128414 971369625 /nfs/dbraw/zinc/36/96/25/971369625.db2.gz KWIJDGRDIZKGTC-UHFFFAOYSA-N -1 0 338.407 3.900 20 0 EHADRM O=C([O-])C[C@@H]1CN(Cc2ccc(F)c3cccnc23)c2ccccc21 ZINC000327187549 971375299 /nfs/dbraw/zinc/37/52/99/971375299.db2.gz XZMQIOICKAXFJH-CQSZACIVSA-N -1 0 336.366 3.952 20 0 EHADRM C/C(=C\c1c(Cl)cccc1Cl)C(=O)N(C)CCCC(=O)[O-] ZINC001602736207 971422188 /nfs/dbraw/zinc/42/21/88/971422188.db2.gz KFBQXNXGEAMOBZ-MDZDMXLPSA-N -1 0 330.211 3.720 20 0 EHADRM C[C@H](c1ccccc1F)N(C)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000327735462 971423076 /nfs/dbraw/zinc/42/30/76/971423076.db2.gz MUTYPUOWTYEIDW-GFCCVEGCSA-N -1 0 346.358 3.514 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1ccc(F)c2ccccc12 ZINC000327828680 971427782 /nfs/dbraw/zinc/42/77/82/971427782.db2.gz IJHRGHYAUGOLRW-UHFFFAOYSA-N -1 0 337.350 3.949 20 0 EHADRM CCc1ccc(NC(=O)N(C)Cc2ccccc2OC)c(C(=O)[O-])c1 ZINC000327880303 971431292 /nfs/dbraw/zinc/43/12/92/971431292.db2.gz ZGUHNMFKMPWVKX-UHFFFAOYSA-N -1 0 342.395 3.620 20 0 EHADRM O=C([O-])c1ccc(CNc2cc(Cl)ccc2OC(F)(F)F)nc1 ZINC000328316072 971461658 /nfs/dbraw/zinc/46/16/58/971461658.db2.gz XXBMYPUYJUUAPB-UHFFFAOYSA-N -1 0 346.692 3.944 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1cccnc1C(=O)[O-] ZINC001589561136 948810107 /nfs/dbraw/zinc/81/01/07/948810107.db2.gz IOXHMEWSOSDHMC-HNNXBMFYSA-N -1 0 341.411 3.573 20 0 EHADRM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)Nc1cncc(C(=O)[O-])c1 ZINC001589561253 948811087 /nfs/dbraw/zinc/81/10/87/948811087.db2.gz NUPZYMBNSNMHQZ-CQSZACIVSA-N -1 0 347.802 3.576 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1ccc(Br)cc1 ZINC000042317966 948873689 /nfs/dbraw/zinc/87/36/89/948873689.db2.gz CILCEKAQQIHQMX-JTQLQIEISA-N -1 0 348.196 3.638 20 0 EHADRM O=C([O-])CCC(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000345809602 971519759 /nfs/dbraw/zinc/51/97/59/971519759.db2.gz SZZYUSXTDIMLLP-MRXNPFEDSA-N -1 0 331.799 3.605 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1cccc(C(=O)[O-])n1)c1ccc(F)cc1F ZINC000345799232 971520005 /nfs/dbraw/zinc/52/00/05/971520005.db2.gz JUNUNGXWRAQQSO-OAHLLOKOSA-N -1 0 348.349 3.575 20 0 EHADRM CCC[C@H](NC(=O)C1(c2cccc(Cl)c2)CCCCC1)C(=O)[O-] ZINC000347386233 971525230 /nfs/dbraw/zinc/52/52/30/971525230.db2.gz PIMRSVULWCESPR-HNNXBMFYSA-N -1 0 337.847 3.911 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000062869510 948955096 /nfs/dbraw/zinc/95/50/96/948955096.db2.gz PNDYRACTLQVNRX-OAHLLOKOSA-N -1 0 330.211 3.710 20 0 EHADRM CCCC[C@@H](NC(=O)c1sc(-c2ccccc2)cc1OC)C(=O)[O-] ZINC000347268561 971522950 /nfs/dbraw/zinc/52/29/50/971522950.db2.gz YRVFCCXTCJJBDP-CYBMUJFWSA-N -1 0 347.436 3.797 20 0 EHADRM CCC[C@H](NC(=O)Cc1coc2cc(C)c(C(C)C)cc12)C(=O)[O-] ZINC000347390328 971525037 /nfs/dbraw/zinc/52/50/37/971525037.db2.gz WCZRWSCBDPOJAS-INIZCTEOSA-N -1 0 331.412 3.777 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@@H]1CSc2ccccc21 ZINC000349464704 971527546 /nfs/dbraw/zinc/52/75/46/971527546.db2.gz SKQFVBBWTGQTSR-CQSZACIVSA-N -1 0 327.405 3.830 20 0 EHADRM O=C([O-])c1coc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)c1 ZINC000352405805 971528420 /nfs/dbraw/zinc/52/84/20/971528420.db2.gz BNSHLJNPHJSIQD-OAHLLOKOSA-N -1 0 333.771 3.902 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)[C@@H](C)Cc2cccc(Cl)c2)C1 ZINC001589583835 949021738 /nfs/dbraw/zinc/02/17/38/949021738.db2.gz FECLACSDSHBUSO-SCLBCKFNSA-N -1 0 337.847 3.622 20 0 EHADRM CC[C@H](Oc1ccccc1F)C(=O)Nc1c(C)cccc1C(=O)[O-] ZINC001589584185 949024875 /nfs/dbraw/zinc/02/48/75/949024875.db2.gz AURAXQDVXSRXBK-AWEZNQCLSA-N -1 0 331.343 3.628 20 0 EHADRM CCC(CC)[C@H](NC(=O)c1cccc(C(=O)[O-])n1)c1cccs1 ZINC000362496412 971534751 /nfs/dbraw/zinc/53/47/51/971534751.db2.gz GEMZJHFOEAODOL-HNNXBMFYSA-N -1 0 332.425 3.749 20 0 EHADRM O=C([O-])[C@@H]1CN(Cc2cccc(Br)c2)Cc2ccccc21 ZINC000087612602 949094224 /nfs/dbraw/zinc/09/42/24/949094224.db2.gz ONXBBHNVUHAWFH-MRXNPFEDSA-N -1 0 346.224 3.633 20 0 EHADRM O=C([O-])CCCCC(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000368004034 971550354 /nfs/dbraw/zinc/55/03/54/971550354.db2.gz BFJHGRNVBCEEDS-CYBMUJFWSA-N -1 0 343.345 3.666 20 0 EHADRM C[C@H](C(=O)Nc1scc(-c2ccsc2)c1C(=O)[O-])n1cccn1 ZINC001602795821 971558169 /nfs/dbraw/zinc/55/81/69/971558169.db2.gz PGBNMCYZIROWRA-SECBINFHSA-N -1 0 347.421 3.571 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cccc(C)c2C(F)(F)F)C1 ZINC001589603199 949205553 /nfs/dbraw/zinc/20/55/53/949205553.db2.gz IUKUYLMXUSPYDD-INIZCTEOSA-N -1 0 343.345 3.731 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N2CC3(CCCC3)[C@H]2c2ccco2)o1 ZINC001595225669 949289945 /nfs/dbraw/zinc/28/99/45/949289945.db2.gz PGHBYQRIUQCRCW-DBWMJRBXSA-N -1 0 341.363 3.728 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N(CC2CC2)c2cccc(F)c2)o1 ZINC001595226080 949293607 /nfs/dbraw/zinc/29/36/07/949293607.db2.gz UCTHRBJBGFRBQN-VQHVLOKHSA-N -1 0 329.327 3.573 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2CC[C@@H]2c2ccc(Cl)cc2F)nc1 ZINC001595235456 949387986 /nfs/dbraw/zinc/38/79/86/949387986.db2.gz SCDGTOLAJYOJNU-YPMHNXCESA-N -1 0 348.761 3.705 20 0 EHADRM Cc1ccc(Br)c(NC(=O)NC(C)(C)CCC(=O)[O-])c1 ZINC000164136430 949411595 /nfs/dbraw/zinc/41/15/95/949411595.db2.gz CTQLIRKFXXPBKC-UHFFFAOYSA-N -1 0 343.221 3.522 20 0 EHADRM CC[C@H]1CCCc2sc(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])nc21 ZINC001589622332 949429022 /nfs/dbraw/zinc/42/90/22/949429022.db2.gz BDAMMFDSZHFOOH-QWRGUYRKSA-N -1 0 339.461 3.594 20 0 EHADRM Cc1cccc(C(=O)Nc2cccc(C(=O)[O-])c2)c1Br ZINC000190873126 949502190 /nfs/dbraw/zinc/50/21/90/949502190.db2.gz CWQMLYADHCEZNP-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM C[C@@](CNC(=O)Cc1cccc2ccccc21)(C(=O)[O-])c1ccccc1 ZINC000193062167 949513113 /nfs/dbraw/zinc/51/31/13/949513113.db2.gz AHCBWVJGKWYXIV-QFIPXVFZSA-N -1 0 347.414 3.541 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CC2(CCCC2)[C@@H]1c1ccco1 ZINC001595254026 949573233 /nfs/dbraw/zinc/57/32/33/949573233.db2.gz QCMZQVHDJYBNSJ-SFHVURJKSA-N -1 0 339.391 3.664 20 0 EHADRM CCC[C@](C)(NC(=O)Nc1cccnc1C(=O)[O-])c1ccccc1 ZINC001589633634 949577381 /nfs/dbraw/zinc/57/73/81/949577381.db2.gz HGRPXTHQOQCQOF-SFHVURJKSA-N -1 0 327.384 3.617 20 0 EHADRM CCC[C@H](NC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21)C1CCC1 ZINC001589633894 949581805 /nfs/dbraw/zinc/58/18/05/949581805.db2.gz ICMPEEQCAFQALF-ULQDDVLXSA-N -1 0 330.428 3.568 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)c1cc(Cl)nc2ccccc21 ZINC001595255948 949612856 /nfs/dbraw/zinc/61/28/56/949612856.db2.gz JTGQJBZIUYZQKA-UHFFFAOYSA-N -1 0 340.766 3.516 20 0 EHADRM CCC[C@@]1(C)CCCN(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1 ZINC001589635366 949613334 /nfs/dbraw/zinc/61/33/34/949613334.db2.gz IPBMPWJFJFDTQI-GJRWTSMGSA-N -1 0 338.492 3.734 20 0 EHADRM O=C([O-])c1ccccc1OCCN1CCc2c(Cl)cc(F)cc2C1 ZINC001595257469 949631874 /nfs/dbraw/zinc/63/18/74/949631874.db2.gz IECGSMBFNRDMSY-UHFFFAOYSA-N -1 0 349.789 3.614 20 0 EHADRM O=C([O-])Cc1sccc1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000379071640 971597708 /nfs/dbraw/zinc/59/77/08/971597708.db2.gz UHCJFOSISNTTQD-UHFFFAOYSA-N -1 0 329.299 3.646 20 0 EHADRM CCCCC[C@H](NC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1)C(C)(C)C ZINC001589641861 949700288 /nfs/dbraw/zinc/70/02/88/949700288.db2.gz CVAHYUKCGREXRP-KKUMJFAQSA-N -1 0 326.481 3.734 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)N2CC3(CCCC3)c3ccccc32)c1 ZINC001595262720 949701271 /nfs/dbraw/zinc/70/12/71/949701271.db2.gz BQGXLWFXYPPCJG-UHFFFAOYSA-N -1 0 337.379 3.644 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)c1 ZINC001595263401 949714334 /nfs/dbraw/zinc/71/43/34/949714334.db2.gz BELXPERFPABLMB-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)c2ccsc2CC(=O)[O-])c1 ZINC000379175306 971608974 /nfs/dbraw/zinc/60/89/74/971608974.db2.gz FGRMLAWBMCAQMN-LLVKDONJSA-N -1 0 333.409 3.805 20 0 EHADRM CC(C)C[C@@H](NC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000236577787 949923006 /nfs/dbraw/zinc/92/30/06/949923006.db2.gz FHARJDSUPZPQJT-FGTMMUONSA-N -1 0 325.408 3.559 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000236609424 949926332 /nfs/dbraw/zinc/92/63/32/949926332.db2.gz OREYSFHCBLADTK-KURKYZTESA-N -1 0 325.408 3.559 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)CSc1ccc2c(c1)CCC2 ZINC000237927729 949981773 /nfs/dbraw/zinc/98/17/73/949981773.db2.gz UJJHFCJAEQWXHT-INIZCTEOSA-N -1 0 347.480 3.513 20 0 EHADRM O=C([O-])CCCCCNC(=O)CCOc1cc(Cl)cc(Cl)c1 ZINC000238140337 949995594 /nfs/dbraw/zinc/99/55/94/949995594.db2.gz FWIRDNDABSQVBI-UHFFFAOYSA-N -1 0 348.226 3.524 20 0 EHADRM CCCOc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001589684639 950065238 /nfs/dbraw/zinc/06/52/38/950065238.db2.gz VNOVOKHEYBMNAG-MRXNPFEDSA-N -1 0 346.358 3.562 20 0 EHADRM CCC(CC)(CNC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000262109695 950067339 /nfs/dbraw/zinc/06/73/39/950067339.db2.gz MOVICJDQEYFIJF-LSDHHAIUSA-N -1 0 337.847 3.625 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC[C@H]1C(=O)[O-] ZINC000262754421 950162404 /nfs/dbraw/zinc/16/24/04/950162404.db2.gz ACDCLEHZVBHVJU-QPUJVOFHSA-N -1 0 349.736 3.542 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)s2)CC[C@@H]1C(=O)[O-] ZINC000262943295 950196134 /nfs/dbraw/zinc/19/61/34/950196134.db2.gz KVXZJYODLITBJP-FZMZJTMJSA-N -1 0 347.411 3.737 20 0 EHADRM Cc1c(NC(=O)Nc2cccc(CCC(=O)[O-])c2)cccc1N(C)C ZINC000263118338 950276074 /nfs/dbraw/zinc/27/60/74/950276074.db2.gz WMTLSTFWNCVWAU-UHFFFAOYSA-N -1 0 341.411 3.722 20 0 EHADRM CCSCc1ccc(NC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1 ZINC000263121829 950278233 /nfs/dbraw/zinc/27/82/33/950278233.db2.gz MCMKCZPKXFJGPS-TZMCWYRMSA-N -1 0 336.457 3.514 20 0 EHADRM CCN(C(=O)Nc1ccc(OC2CCCCC2)cc1)[C@@H](C)C(=O)[O-] ZINC001589706958 950300589 /nfs/dbraw/zinc/30/05/89/950300589.db2.gz KJHCLAUCEBGEFG-ZDUSSCGKSA-N -1 0 334.416 3.725 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)C1 ZINC000263363102 950403012 /nfs/dbraw/zinc/40/30/12/950403012.db2.gz SKOIRPJEQIXSIR-VUKOWNLVSA-N -1 0 337.419 3.513 20 0 EHADRM C[C@@H]1CN(c2ccccc2NCc2cccc(C(=O)[O-])c2)C[C@@H](C)O1 ZINC000263462163 950474101 /nfs/dbraw/zinc/47/41/01/950474101.db2.gz JBDAFDVIERXHMG-HUUCEWRRSA-N -1 0 340.423 3.611 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2)cn1 ZINC001602853357 971699422 /nfs/dbraw/zinc/69/94/22/971699422.db2.gz SQULDHHNGMKQMZ-HNNXBMFYSA-N -1 0 328.368 3.559 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2cc(F)cc(Cl)c2)C1 ZINC000318317251 950925463 /nfs/dbraw/zinc/92/54/63/950925463.db2.gz VPDNQOBTJDTKIX-HNNXBMFYSA-N -1 0 328.771 3.588 20 0 EHADRM O=C([O-])Cc1ccc(Oc2ncnc3sc4c(c32)CCC4)cc1 ZINC000320455124 950989804 /nfs/dbraw/zinc/98/98/04/950989804.db2.gz KHXUUSLJQMWDGK-UHFFFAOYSA-N -1 0 326.377 3.599 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)[C@@H](c1ccncc1)C1CCCCC1 ZINC001594984536 951010679 /nfs/dbraw/zinc/01/06/79/951010679.db2.gz HMEOJZUJQCYDPZ-IEBWSBKVSA-N -1 0 344.455 3.601 20 0 EHADRM CC(C)(C)C[C@H]1CCN(C(=O)NCCC(C)(C)C(=O)[O-])C1(C)C ZINC001602859372 971710150 /nfs/dbraw/zinc/71/01/50/971710150.db2.gz IKDTYTKRUGETIC-CYBMUJFWSA-N -1 0 326.481 3.734 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)s1 ZINC000325724223 951090130 /nfs/dbraw/zinc/09/01/30/951090130.db2.gz NVYRIQQVQYHZPW-DOMZBBRYSA-N -1 0 344.436 3.511 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2csc(-c3ccco3)n2)c1 ZINC000325874606 951094574 /nfs/dbraw/zinc/09/45/74/951094574.db2.gz MKAPTQFMLBPJBW-UHFFFAOYSA-N -1 0 342.376 3.673 20 0 EHADRM CC[C@@H](NC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000327586391 951117626 /nfs/dbraw/zinc/11/76/26/951117626.db2.gz XQHMGUXBAYRGEU-QZTJIDSGSA-N -1 0 338.407 3.531 20 0 EHADRM Cc1cccc2c(CC(=O)Nc3cccc(CCC(=O)[O-])c3)c[nH]c21 ZINC000344033586 951131052 /nfs/dbraw/zinc/13/10/52/951131052.db2.gz OTKDAIGIOVCRJP-UHFFFAOYSA-N -1 0 336.391 3.675 20 0 EHADRM Cc1cccc2[nH]cc(CC(=O)Nc3cccc(CCC(=O)[O-])c3)c21 ZINC000344019714 951131796 /nfs/dbraw/zinc/13/17/96/951131796.db2.gz XIVGHICBICKCPK-UHFFFAOYSA-N -1 0 336.391 3.675 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)Nc1nsc2ccccc21)C(=O)[O-] ZINC001602861290 971719744 /nfs/dbraw/zinc/71/97/44/971719744.db2.gz QERKHKIEIWZVAY-LLVKDONJSA-N -1 0 335.429 3.697 20 0 EHADRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)Nc2ccc(-c3ccccc3)cc2)CO1 ZINC001595005831 951196644 /nfs/dbraw/zinc/19/66/44/951196644.db2.gz QJXUUTWZAMFTQQ-SJLPKXTDSA-N -1 0 339.391 3.562 20 0 EHADRM CCOCCC1(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)CCC1 ZINC001591877162 951232094 /nfs/dbraw/zinc/23/20/94/951232094.db2.gz SCDIIILWEYLXCT-UHFFFAOYSA-N -1 0 343.782 3.713 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC001595008795 951237219 /nfs/dbraw/zinc/23/72/19/951237219.db2.gz WWGKSFUNRJJGEH-AWEZNQCLSA-N -1 0 348.830 3.610 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)NC[C@@H]1CCCCC(F)(F)C1 ZINC001595011091 951242089 /nfs/dbraw/zinc/24/20/89/951242089.db2.gz DPUXCFCTKREBLU-ZIAGYGMSSA-N -1 0 346.418 3.631 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1cc(Cl)ccc1Cl ZINC000397090417 951520638 /nfs/dbraw/zinc/52/06/38/951520638.db2.gz VGZPBRIRITXMED-IUCAKERBSA-N -1 0 331.199 3.710 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2ccc3scnc3c2)c1 ZINC001595064551 951539160 /nfs/dbraw/zinc/53/91/60/951539160.db2.gz ZWAZVVSGTKHMLY-UHFFFAOYSA-N -1 0 326.377 3.566 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCc3cccc(C(F)(F)F)c32)cc1 ZINC001595215104 952374420 /nfs/dbraw/zinc/37/44/20/952374420.db2.gz BDZGKEWCJBUXJV-UHFFFAOYSA-N -1 0 335.281 3.607 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)Nc2ccc(Br)cc2C(=O)[O-])C1 ZINC000383155310 971851838 /nfs/dbraw/zinc/85/18/38/971851838.db2.gz OZSTWFCVFSYZQJ-ZJUUUORDSA-N -1 0 340.217 3.912 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)s1 ZINC001602922954 971883281 /nfs/dbraw/zinc/88/32/81/971883281.db2.gz KMDGLRSPWFEAHR-AWEZNQCLSA-N -1 0 335.400 3.740 20 0 EHADRM CC(C)(C)c1cc2cccnc2c(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])c1 ZINC001602923015 971883590 /nfs/dbraw/zinc/88/35/90/971883590.db2.gz NSZWTXRVVIUCHE-ZIAGYGMSSA-N -1 0 326.396 3.582 20 0 EHADRM CC(C)(CNC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C)Cc1ccccc1 ZINC001602944322 971915864 /nfs/dbraw/zinc/91/58/64/971915864.db2.gz RCIKLKGFNRAOJB-UHFFFAOYSA-N -1 0 331.456 3.509 20 0 EHADRM O=C([O-])CCCCCNC(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000414619628 953401126 /nfs/dbraw/zinc/40/11/26/953401126.db2.gz BRNIDHAUSZIUBS-KURKYZTESA-N -1 0 344.455 3.609 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)NC(C)(C)c1cccc(Cl)c1F ZINC001602950378 971927220 /nfs/dbraw/zinc/92/72/20/971927220.db2.gz QTRUHGZRRIPXEF-NSHDSACASA-N -1 0 329.799 3.577 20 0 EHADRM CC[C@@H](NC(=O)Nc1cccnc1C(=O)[O-])c1ccc(C)c(F)c1 ZINC001593604529 953422884 /nfs/dbraw/zinc/42/28/84/953422884.db2.gz KLAFCZMOQYAPNC-CYBMUJFWSA-N -1 0 331.347 3.500 20 0 EHADRM CC(C)C[C@@H](CNC(=O)CC(C)(C)CC(=O)c1ccccc1)C(=O)[O-] ZINC000424240643 953432604 /nfs/dbraw/zinc/43/26/04/953432604.db2.gz GEGAJRAYVKNLBG-INIZCTEOSA-N -1 0 347.455 3.539 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)CC2 ZINC001589274544 953450988 /nfs/dbraw/zinc/45/09/88/953450988.db2.gz UHEHXBKDGUTRJL-QBIMZIAESA-N -1 0 344.455 3.550 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)NCCCCCc2ccccc2)c1 ZINC001594757078 953471115 /nfs/dbraw/zinc/47/11/15/953471115.db2.gz BVKGHRLGNUBGQO-UHFFFAOYSA-N -1 0 340.423 3.597 20 0 EHADRM CCC(CC)(CNC(=O)c1cncc(-c2cccc(C)c2)c1)C(=O)[O-] ZINC000431779233 953502799 /nfs/dbraw/zinc/50/27/99/953502799.db2.gz ROOZSNVFEVBLIB-UHFFFAOYSA-N -1 0 340.423 3.678 20 0 EHADRM O=C([O-])c1cccc(C(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)c1 ZINC000432121266 953505586 /nfs/dbraw/zinc/50/55/86/953505586.db2.gz FCWOSMNPMQUIFG-OAHLLOKOSA-N -1 0 345.782 3.682 20 0 EHADRM CC[C@H](NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)c1ccccc1F ZINC001593618531 953507772 /nfs/dbraw/zinc/50/77/72/953507772.db2.gz TXUZPONVTHYXMG-BBRMVZONSA-N -1 0 338.423 3.713 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2cc(C(C)(C)C)nc(C(C)(C)C)n2)C1 ZINC001589281741 953524443 /nfs/dbraw/zinc/52/44/43/953524443.db2.gz AUNGCZVTSBOCJV-OLZOCXBDSA-N -1 0 333.476 3.619 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)Nc2ccc(-c3ccc[nH]3)cc2)c1 ZINC001594771280 953558857 /nfs/dbraw/zinc/55/88/57/953558857.db2.gz MCMKAKPWELORIE-UHFFFAOYSA-N -1 0 335.363 3.702 20 0 EHADRM C[C@@H]1C[C@H](CCNC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)CC(C)(C)C1 ZINC001589286510 953578209 /nfs/dbraw/zinc/57/82/09/953578209.db2.gz VXFAOISLTBXGMA-LVQVYYBASA-N -1 0 338.492 3.591 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccccc2OC2CCCC2)C[C@H]1C(=O)[O-] ZINC000563145786 953596236 /nfs/dbraw/zinc/59/62/36/953596236.db2.gz BMISZRQWQJOXOF-UKRRQHHQSA-N -1 0 346.427 3.583 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)NC2CCC(c3ccccc3)CC2)C1 ZINC000566725757 953627916 /nfs/dbraw/zinc/62/79/16/953627916.db2.gz VXBDEOASBDIOGW-FAEJEUNOSA-N -1 0 344.455 3.609 20 0 EHADRM CCc1ccc(NC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)cc1C ZINC001593638903 953632355 /nfs/dbraw/zinc/63/23/55/953632355.db2.gz OBKPTIXFCNOBFI-HXUWFJFHSA-N -1 0 340.423 3.721 20 0 EHADRM Cc1cc2ccccc2c(NC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000570211457 953654028 /nfs/dbraw/zinc/65/40/28/953654028.db2.gz DYXFAJXSEZOQFT-CZUORRHYSA-N -1 0 326.396 3.723 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000578132134 953698982 /nfs/dbraw/zinc/69/89/82/953698982.db2.gz PDNZNAFTZNWPTH-ZANVPECISA-N -1 0 335.787 3.577 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1ccc(F)cc1C(F)(F)F ZINC001589303431 953712020 /nfs/dbraw/zinc/71/20/20/953712020.db2.gz HFPRDQYAKKMLMH-BDAKNGLRSA-N -1 0 348.296 3.562 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1csc(-c2ccccc2)n1 ZINC001589303594 953714418 /nfs/dbraw/zinc/71/44/18/953714418.db2.gz ILIASFOUIJAIEC-YPMHNXCESA-N -1 0 345.424 3.527 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)c2ccc3c(c2)CCOC3)c1Cl ZINC001594803718 953761643 /nfs/dbraw/zinc/76/16/43/953761643.db2.gz FGCVOQYLABHTOY-UHFFFAOYSA-N -1 0 349.745 3.502 20 0 EHADRM CCCC1CCC(N(C)C(=O)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC000621539299 953793800 /nfs/dbraw/zinc/79/38/00/953793800.db2.gz KFGMUBGYKTWWTI-UHFFFAOYSA-N -1 0 333.428 3.581 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)Nc2cccc3cccnc32)c2ccccc21 ZINC001594811453 953829491 /nfs/dbraw/zinc/82/94/91/953829491.db2.gz SZRTUHNKSBXHGQ-WBVHZDCISA-N -1 0 347.374 3.670 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)Nc2cccc3cccnc32)c2ccccc21 ZINC001594811452 953830059 /nfs/dbraw/zinc/83/00/59/953830059.db2.gz SZRTUHNKSBXHGQ-RDJZCZTQSA-N -1 0 347.374 3.670 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)NC1CCC(c2ccccc2)CC1 ZINC001594811641 953833026 /nfs/dbraw/zinc/83/30/26/953833026.db2.gz FHCSMFNYMDQWJH-UHFFFAOYSA-N -1 0 339.395 3.628 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)CCc2ccc(C(F)F)cc2)C1 ZINC000630160177 953843194 /nfs/dbraw/zinc/84/31/94/953843194.db2.gz RGPMMKGFDSCQKD-AWEZNQCLSA-N -1 0 339.382 3.660 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCC[C@@H](c3ccc(F)c(F)c3)C2)c1 ZINC000630230581 953848330 /nfs/dbraw/zinc/84/83/30/953848330.db2.gz LLHQNRVBJCCQSV-OAHLLOKOSA-N -1 0 345.345 3.683 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2ccc(-c3cccc(F)c3)s2)C1 ZINC000634803881 953869687 /nfs/dbraw/zinc/86/96/87/953869687.db2.gz OAJKSZFADYXBMH-YPMHNXCESA-N -1 0 333.384 3.537 20 0 EHADRM O=C([O-])c1c[nH]nc1NC(=O)c1csc(-c2ccc(Cl)cc2)c1 ZINC001594818185 953883892 /nfs/dbraw/zinc/88/38/92/953883892.db2.gz IEEVBWCAMCNNBB-UHFFFAOYSA-N -1 0 347.783 3.742 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)ccn1 ZINC001594825682 953938417 /nfs/dbraw/zinc/93/84/17/953938417.db2.gz MUQAEJMICXBPHD-YEORSEQZSA-N -1 0 345.786 3.501 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000647694758 953965469 /nfs/dbraw/zinc/96/54/69/953965469.db2.gz TVRWTMNXDBZJLI-RHSMWYFYSA-N -1 0 348.443 3.686 20 0 EHADRM CC[C@H](C)[C@@H](C)N(C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)C1CC1 ZINC000652111338 954072495 /nfs/dbraw/zinc/07/24/95/954072495.db2.gz SZLQMWWYGURNOX-MDOVXXIYSA-N -1 0 346.471 3.638 20 0 EHADRM O=C([O-])[C@H](NCc1cscc1Br)c1ccc(F)cc1 ZINC001594843366 954102724 /nfs/dbraw/zinc/10/27/24/954102724.db2.gz KKDLXKWRENAGPB-GFCCVEGCSA-N -1 0 344.205 3.565 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)[C@H]2CCCc3ccccc32)c2ccccc21 ZINC000653330868 954160265 /nfs/dbraw/zinc/16/02/65/954160265.db2.gz LAEBNCYESKRDRV-IPMKNSEASA-N -1 0 335.403 3.536 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655580305 954220274 /nfs/dbraw/zinc/22/02/74/954220274.db2.gz KZJSNGXXOOZTGP-BFJAYTPKSA-N -1 0 349.496 3.666 20 0 EHADRM O=C([O-])C1(C(=O)N[C@H]2CCc3ccc(-c4ccccc4)cc32)CCC1 ZINC001594855135 954222326 /nfs/dbraw/zinc/22/23/26/954222326.db2.gz ARELUIZQLJAKLB-SFHVURJKSA-N -1 0 335.403 3.712 20 0 EHADRM O=C([O-])[C@@]1(C(=O)NCc2cc(Cl)cc(Cl)c2F)CC=CCC1 ZINC001594862656 954286267 /nfs/dbraw/zinc/28/62/67/954286267.db2.gz DDWGRYZDLAZYHD-HNNXBMFYSA-N -1 0 346.185 3.560 20 0 EHADRM O=C([O-])C1(C(=O)NCc2ccc(-c3ccccc3)o2)CCCCC1 ZINC001594862640 954286392 /nfs/dbraw/zinc/28/63/92/954286392.db2.gz BLVUCMHDDINIPH-UHFFFAOYSA-N -1 0 327.380 3.598 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2csc(-c3ccccc3)n2)CC=CCC1 ZINC001594872300 954366000 /nfs/dbraw/zinc/36/60/00/954366000.db2.gz QHVZTTLPIONBIP-QGZVFWFLSA-N -1 0 328.393 3.560 20 0 EHADRM CCN(C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1)[C@@H](C)C(=O)[O-] ZINC000659773175 954368763 /nfs/dbraw/zinc/36/87/63/954368763.db2.gz VDMFQEYZLCXUCI-QWRGUYRKSA-N -1 0 331.334 3.521 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2cnc(-c3ccccc3)s2)CC=CCC1 ZINC001594877752 954392429 /nfs/dbraw/zinc/39/24/29/954392429.db2.gz LLEVOAUOUREEKM-QGZVFWFLSA-N -1 0 328.393 3.560 20 0 EHADRM C[C@H](NC(=O)C1(C(=O)[O-])CC=CC1)c1ccc(Cl)cc1Cl ZINC000663030533 954403476 /nfs/dbraw/zinc/40/34/76/954403476.db2.gz JANFCXDNIPXGLU-VIFPVBQESA-N -1 0 328.195 3.592 20 0 EHADRM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001593759324 954469430 /nfs/dbraw/zinc/46/94/30/954469430.db2.gz FGMAFHGJWMPLFD-UHFFFAOYSA-N -1 0 341.411 3.741 20 0 EHADRM O=C([O-])C1(c2noc(CCc3ccc(F)c4ccccc34)n2)CCC1 ZINC001594887820 954479251 /nfs/dbraw/zinc/47/92/51/954479251.db2.gz VGLKPMHFKVTPRF-UHFFFAOYSA-N -1 0 340.354 3.653 20 0 EHADRM CN(Cc1csc2ccccc12)C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001593764602 954503150 /nfs/dbraw/zinc/50/31/50/954503150.db2.gz QZTHJCPNKCMVFK-UHFFFAOYSA-N -1 0 341.392 3.658 20 0 EHADRM CC(C)[C@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])C[C@@H](C)O[C@@H]2C ZINC001589409250 954503784 /nfs/dbraw/zinc/50/37/84/954503784.db2.gz WVVQAKHIWQZGIH-KXUCPTDWSA-N -1 0 325.430 3.699 20 0 EHADRM CC(C)[C@H]1C[C@H]1C(=O)Nc1sc2c(c1C(=O)[O-])C[C@@H](C)O[C@@H]2C ZINC001589411043 954516460 /nfs/dbraw/zinc/51/64/60/954516460.db2.gz MTQIDOVJOSKTGQ-GWOFURMSSA-N -1 0 337.441 3.699 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)NCc2cccc(C(=O)[O-])c2)c1 ZINC000666566547 954562089 /nfs/dbraw/zinc/56/20/89/954562089.db2.gz RFMASGJTPYJKCS-SFHVURJKSA-N -1 0 338.407 3.740 20 0 EHADRM CC/C(=C/C(=O)NCc1ccccc1C(=O)[O-])c1ccc(OC)cc1 ZINC001589419419 954583958 /nfs/dbraw/zinc/58/39/58/954583958.db2.gz BQPICXKWBVXSSO-OWBHPGMISA-N -1 0 339.391 3.503 20 0 EHADRM Cc1ccc(C)c(OCCCCC(=O)N2CCCC[C@@H]2CC(=O)[O-])c1 ZINC000679398093 954594372 /nfs/dbraw/zinc/59/43/72/954594372.db2.gz ZVDGKMGVRHCDSZ-QGZVFWFLSA-N -1 0 347.455 3.708 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(OCc2ccccc2)cc1C)C(=O)[O-] ZINC000691054385 954680431 /nfs/dbraw/zinc/68/04/31/954680431.db2.gz ZORWHKCEIHQRQI-INIZCTEOSA-N -1 0 342.395 3.559 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cccc3ccsc32)c1 ZINC000386238523 972038939 /nfs/dbraw/zinc/03/89/39/972038939.db2.gz AIYRTXNIQOKYSQ-UHFFFAOYSA-N -1 0 327.361 3.860 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2cccc(C(F)F)c2)CCCCC1 ZINC000386271697 972040707 /nfs/dbraw/zinc/04/07/07/972040707.db2.gz ZULDZPSHEGAOEB-UHFFFAOYSA-N -1 0 326.343 3.781 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)Nc2ccccc2Oc2cccc(F)c2)C1 ZINC001594926105 954819262 /nfs/dbraw/zinc/81/92/62/954819262.db2.gz ZQZLURZRGBOBAA-GFCCVEGCSA-N -1 0 344.342 3.556 20 0 EHADRM O=C([O-])[C@H]1CCN(C[C@@H](O)c2cc3ccccc3o2)c2ccccc21 ZINC001594933112 954829974 /nfs/dbraw/zinc/82/99/74/954829974.db2.gz BCTGMEGEGBBPRT-DOTOQJQBSA-N -1 0 337.375 3.545 20 0 EHADRM CC[C@@H](CC(=O)Nc1nc2ccccn2c1C(=O)[O-])c1ccccc1 ZINC001589464296 954885988 /nfs/dbraw/zinc/88/59/88/954885988.db2.gz QRRSDBQNADKFNP-ZDUSSCGKSA-N -1 0 337.379 3.555 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1ccc(C(F)F)cc1F ZINC001594962827 955025690 /nfs/dbraw/zinc/02/56/90/955025690.db2.gz JAXPXJOPSQUGMN-OAHLLOKOSA-N -1 0 349.308 3.588 20 0 EHADRM CCC(CC)(CNC(=O)c1nc2ccccc2cc1C1CC1)C(=O)[O-] ZINC001589502579 955033644 /nfs/dbraw/zinc/03/36/44/955033644.db2.gz USNNJDZPTSLPHR-UHFFFAOYSA-N -1 0 340.423 3.733 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)N[C@H](CC2CC2)c2ccccc2)co1 ZINC001594964900 955041521 /nfs/dbraw/zinc/04/15/21/955041521.db2.gz BLFOATKASLXNBQ-XZVRFQMRSA-N -1 0 325.364 3.649 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)NC[C@H](CC(C)C)C(=O)[O-])cc1 ZINC001589512939 955053726 /nfs/dbraw/zinc/05/37/26/955053726.db2.gz UYIWUZAYIRIIDS-HNNXBMFYSA-N -1 0 335.444 3.731 20 0 EHADRM CC[C@@H](CNC(=O)NCc1cccc(-c2ccc(C)cc2)c1)C(=O)[O-] ZINC001589539407 955190609 /nfs/dbraw/zinc/19/06/09/955190609.db2.gz SSOZTWHZEUJWFO-INIZCTEOSA-N -1 0 340.423 3.572 20 0 EHADRM CC[C@@H](CNC(=O)c1cc(F)c(Oc2ccccc2)c(F)c1)C(=O)[O-] ZINC001589549429 955210189 /nfs/dbraw/zinc/21/01/89/955210189.db2.gz PFJCBVBWQLVFQR-NSHDSACASA-N -1 0 349.333 3.598 20 0 EHADRM C/C(=C/C(=O)N([C@H](C)C(=O)[O-])C1CC1)c1ccccc1C(F)(F)F ZINC000776619464 955329331 /nfs/dbraw/zinc/32/93/31/955329331.db2.gz REZNXDSUSGWNAB-DWOQACPDSA-N -1 0 341.329 3.573 20 0 EHADRM Cc1oc(-c2cccs2)nc1CNCc1ccc(C(=O)[O-])cc1 ZINC001594504698 955350616 /nfs/dbraw/zinc/35/06/16/955350616.db2.gz FMIASYIPVMKXFD-UHFFFAOYSA-N -1 0 328.393 3.700 20 0 EHADRM Cc1onc(-c2cccc(Cl)c2)c1-c1nc([C@@H](C)C(=O)[O-])no1 ZINC001594510472 955385030 /nfs/dbraw/zinc/38/50/30/955385030.db2.gz YVPJDNQGTTWLHM-SSDOTTSWSA-N -1 0 333.731 3.542 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCC[C@@]1(C)CC(C)C)CC(=O)[O-] ZINC001603042287 972105145 /nfs/dbraw/zinc/10/51/45/972105145.db2.gz FLBIQYXXQXFUPT-YJBOKZPZSA-N -1 0 326.481 3.734 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)NCc2cccc(C(=O)[O-])c2)C1 ZINC000840993022 955579413 /nfs/dbraw/zinc/57/94/13/955579413.db2.gz FOVOGAYNYDKSRZ-KDOFPFPSSA-N -1 0 338.407 3.678 20 0 EHADRM Cn1ccc2c1cccc2NC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001594552890 955737225 /nfs/dbraw/zinc/73/72/25/955737225.db2.gz MIOFLYNBCGPNDH-RDJZCZTQSA-N -1 0 349.390 3.613 20 0 EHADRM C[C@H](CSC(F)(F)F)C(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC001589076755 955824203 /nfs/dbraw/zinc/82/42/03/955824203.db2.gz BTCFCXDRAXYDBL-SECBINFHSA-N -1 0 347.358 3.553 20 0 EHADRM Cc1ccc([C@@H](NC(=O)/C=C/c2ccc(C(=O)[O-])o2)C2CC2)cc1 ZINC000864101734 955932870 /nfs/dbraw/zinc/93/28/70/955932870.db2.gz MORZQSXKAJLBEK-SXAWMYDMSA-N -1 0 325.364 3.567 20 0 EHADRM Cc1ccc([C@H](NC(=O)/C=C\c2ccc(C(=O)[O-])o2)C2CC2)cc1 ZINC000864101732 955932938 /nfs/dbraw/zinc/93/29/38/955932938.db2.gz MORZQSXKAJLBEK-FYGXRCCRSA-N -1 0 325.364 3.567 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N2CCCCC[C@H]2c2ccco2)o1 ZINC000864111294 955938936 /nfs/dbraw/zinc/93/89/36/955938936.db2.gz ZEVJREDLDNAAQQ-PLWJUESGSA-N -1 0 329.352 3.728 20 0 EHADRM CC(C)CN(Cc1ccccc1)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000864159026 955971974 /nfs/dbraw/zinc/97/19/74/955971974.db2.gz UPUKQRTWWFATGS-LUAWRHEFSA-N -1 0 327.380 3.676 20 0 EHADRM C[C@@](NC(=O)c1ccc(SC2CC2)cc1)(C(=O)[O-])c1ccccc1 ZINC001589118063 956106617 /nfs/dbraw/zinc/10/66/17/956106617.db2.gz WBCKLBSCCYQTFX-IBGZPJMESA-N -1 0 341.432 3.671 20 0 EHADRM CC(C)c1ccc(C[C@@H]2CCN(C(=O)[C@]3(C(=O)[O-])CC3(C)C)C2)cc1 ZINC001603100388 972175570 /nfs/dbraw/zinc/17/55/70/972175570.db2.gz CUSYOWCRKGLBLB-KKSFZXQISA-N -1 0 343.467 3.702 20 0 EHADRM CC(C)c1cccc2c1CCN(C(=O)[C@@]1(C(=O)[O-])CC=CCC1)C2 ZINC001603105767 972178532 /nfs/dbraw/zinc/17/85/32/972178532.db2.gz LDRNFZYLLYKYDK-HXUWFJFHSA-N -1 0 327.424 3.506 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C/C=C/Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000901701197 956427065 /nfs/dbraw/zinc/42/70/65/956427065.db2.gz PDAFWVGBUXGUDD-OYQYDDJWSA-N -1 0 349.430 3.502 20 0 EHADRM C[C@@H](Sc1ccc(F)cc1)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001589173295 956477258 /nfs/dbraw/zinc/47/72/58/956477258.db2.gz WAQFWKZOBYFJBM-GFCCVEGCSA-N -1 0 339.432 3.600 20 0 EHADRM C[C@@H](c1ccccc1)N(C(=O)c1ccc(OCC(=O)[O-])cc1)C1CC1 ZINC001589177674 956514509 /nfs/dbraw/zinc/51/45/09/956514509.db2.gz UIACVASUMJBDAJ-AWEZNQCLSA-N -1 0 339.391 3.516 20 0 EHADRM CC(C)c1sc(NC(=O)N[C@@H](C)C(=O)[O-])nc1-c1ccccc1 ZINC001603115090 972194057 /nfs/dbraw/zinc/19/40/57/972194057.db2.gz OWZKEOODPMTFQO-JTQLQIEISA-N -1 0 333.413 3.528 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)NCC2(c3ccccc3)CCCC2)o1 ZINC001594670403 956614705 /nfs/dbraw/zinc/61/47/05/956614705.db2.gz QNRGCPJDXYNNHQ-LUAWRHEFSA-N -1 0 339.391 3.619 20 0 EHADRM CC1(C)CN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)[C@H]1c1cccs1 ZINC000902097555 956649124 /nfs/dbraw/zinc/64/91/24/956649124.db2.gz KKFFITORWQAOIS-LYASGUKUSA-N -1 0 331.393 3.662 20 0 EHADRM CC(C)c1cc(Cl)ccc1NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC000902177051 956677300 /nfs/dbraw/zinc/67/73/00/956677300.db2.gz HXNIIDNAFRBREY-WCQYABFASA-N -1 0 339.819 3.672 20 0 EHADRM CC[C@H](C)CC(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000389048886 972204892 /nfs/dbraw/zinc/20/48/92/972204892.db2.gz PGUXWSXZIPMMDN-QMMMGPOBSA-N -1 0 328.206 3.830 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](c2nc(Cc3ccc(Cl)c(Cl)c3)no2)C1 ZINC000389104899 972207622 /nfs/dbraw/zinc/20/76/22/972207622.db2.gz FVFUEZXXCAFLBK-VHSXEESVSA-N -1 0 341.194 3.936 20 0 EHADRM CC1(C)CCC[C@H](NC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)C1 ZINC001589223530 956779906 /nfs/dbraw/zinc/77/99/06/956779906.db2.gz AOLNCLVCNCPFCM-RCBQFDQVSA-N -1 0 330.428 3.568 20 0 EHADRM CC1(C)CCc2c(sc(NC(=O)[C@@H]3CCSC3)c2C(=O)[O-])C1 ZINC001589226639 956804581 /nfs/dbraw/zinc/80/45/81/956804581.db2.gz FMYBOSNSTHDDTM-SECBINFHSA-N -1 0 339.482 3.653 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)Cc1coc2cc(Cl)ccc12 ZINC001594711765 956890480 /nfs/dbraw/zinc/89/04/80/956890480.db2.gz JKTGHRILYYIEMX-UHFFFAOYSA-N -1 0 343.766 3.643 20 0 EHADRM Nc1c(Cl)cc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1Cl ZINC000389422581 972223707 /nfs/dbraw/zinc/22/37/07/972223707.db2.gz BKYSRQFIEODUMK-UHFFFAOYSA-N -1 0 343.141 3.665 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OCCOc1ccc(Cl)cc1 ZINC000011958281 956899572 /nfs/dbraw/zinc/89/95/72/956899572.db2.gz RCJBOHJPMDUJEY-YCRREMRBSA-N -1 0 348.782 3.904 20 0 EHADRM Cc1cc(Cl)cc(C)c1OCC(=O)Nc1ccccc1C(=O)[O-] ZINC000013095138 956947326 /nfs/dbraw/zinc/94/73/26/956947326.db2.gz KFAGDTVCUPRGGH-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cnc(Cl)c(Cl)c1 ZINC000013169718 956952741 /nfs/dbraw/zinc/95/27/41/956952741.db2.gz DIJRTQXLJHXORS-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)COc1ccc(F)cc1Cl ZINC000013170148 956954983 /nfs/dbraw/zinc/95/49/83/956954983.db2.gz YBHQDPBZEQQQDE-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCSc1ccccc1)c1ccc(F)cc1 ZINC000013176550 956956623 /nfs/dbraw/zinc/95/66/23/956956623.db2.gz ILUNARDWVHEPPH-INIZCTEOSA-N -1 0 347.411 3.640 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)COc1ccc2c(c1)CCC2 ZINC000013187590 956971165 /nfs/dbraw/zinc/97/11/65/956971165.db2.gz DMXNUIPJFYOGGT-UHFFFAOYSA-N -1 0 345.782 3.544 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(Cl)cc1Cl ZINC000013225801 956984175 /nfs/dbraw/zinc/98/41/75/956984175.db2.gz AIDAUSDRIWCEAD-HERUPUMHSA-N -1 0 342.222 3.851 20 0 EHADRM C[C@H](CCC(=O)Nc1nc2ccccn2c1C(=O)[O-])c1ccccc1 ZINC001603142229 972232753 /nfs/dbraw/zinc/23/27/53/972232753.db2.gz MTPGVLPAHBYMFI-CYBMUJFWSA-N -1 0 337.379 3.555 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)c2cc(F)cc(Cl)c2)c2ccccc21 ZINC001594726163 957005177 /nfs/dbraw/zinc/00/51/77/957005177.db2.gz JCMDEOAJYZCKLC-CABCVRRESA-N -1 0 333.746 3.522 20 0 EHADRM CC(=O)c1ccc(Oc2ccc(C=CC(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000013274970 957006492 /nfs/dbraw/zinc/00/64/92/957006492.db2.gz RLCROHSWMOSTRR-YCRREMRBSA-N -1 0 327.292 3.688 20 0 EHADRM Cc1ccc(NC(=O)[C@@H](C)Sc2ncccc2C(=O)[O-])c(C)c1 ZINC000013310052 957016488 /nfs/dbraw/zinc/01/64/88/957016488.db2.gz WJJJSHVHYJOBGY-GFCCVEGCSA-N -1 0 330.409 3.516 20 0 EHADRM CC/C(=C/C(=O)N1CCC(CCC(=O)[O-])CC1)c1ccc(OC)cc1 ZINC000909439270 957019036 /nfs/dbraw/zinc/01/90/36/957019036.db2.gz MLYDPTCCCNMGDT-PEZBUJJGSA-N -1 0 345.439 3.592 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)c2ccccc2-n2cccc2)c2ccccc21 ZINC001594728106 957021662 /nfs/dbraw/zinc/02/16/62/957021662.db2.gz WTPWQIXPUMFWDH-MSOLQXFVSA-N -1 0 346.386 3.520 20 0 EHADRM CSc1ccccc1C(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC000013390143 957043845 /nfs/dbraw/zinc/04/38/45/957043845.db2.gz MEEHCBRXZQRJET-UHFFFAOYSA-N -1 0 327.405 3.700 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)NC2CCCCCCC2)c2ccccc21 ZINC001594732832 957054366 /nfs/dbraw/zinc/05/43/66/957054366.db2.gz XJZQDKJUVBRWQC-DLBZAZTESA-N -1 0 330.428 3.712 20 0 EHADRM C[C@H](NC(=O)COc1cccc(C(=O)[O-])c1)c1cccc2ccccc21 ZINC000013419310 957060092 /nfs/dbraw/zinc/06/00/92/957060092.db2.gz WRRCJVWHZQXFRA-AWEZNQCLSA-N -1 0 349.386 3.794 20 0 EHADRM CC(C)CCOc1ccc(C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000013439353 957077243 /nfs/dbraw/zinc/07/72/43/957077243.db2.gz RXOMTMHHUNKXTI-UHFFFAOYSA-N -1 0 341.407 3.991 20 0 EHADRM Cc1ccc2c(CC(=O)N(C)c3ccccc3C(=O)[O-])coc2c1C ZINC000013440551 957079392 /nfs/dbraw/zinc/07/93/92/957079392.db2.gz LZJWRHGMZLITRW-UHFFFAOYSA-N -1 0 337.375 3.953 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OCC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000013457845 957091511 /nfs/dbraw/zinc/09/15/11/957091511.db2.gz DUZWUKUJTOTCRI-LJQANCHMSA-N -1 0 341.407 3.586 20 0 EHADRM CCCCN(C(=O)c1ccc(C(=O)[O-])nc1)[C@H](C)c1ccc(C)o1 ZINC000914519499 957093020 /nfs/dbraw/zinc/09/30/20/957093020.db2.gz MZWMSPUFNNTPPQ-CYBMUJFWSA-N -1 0 330.384 3.685 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)/C=C\c1cc(Cl)cc(Cl)c1 ZINC000389710398 972242849 /nfs/dbraw/zinc/24/28/49/972242849.db2.gz HYDHYCTWGRIYDN-IRSQKABVSA-N -1 0 342.222 3.718 20 0 EHADRM O=C([O-])c1ccc(NC(=O)COc2ccc(Cl)c(Cl)c2)s1 ZINC000035425340 957210379 /nfs/dbraw/zinc/21/03/79/957210379.db2.gz DDIXYGUEFUWZTJ-UHFFFAOYSA-N -1 0 346.191 3.771 20 0 EHADRM Cc1sc(NC(=O)CSc2cccs2)c(C(=O)[O-])c1C ZINC000037448855 957290201 /nfs/dbraw/zinc/29/02/01/957290201.db2.gz BXSKDFMHWMABJJ-UHFFFAOYSA-N -1 0 327.452 3.855 20 0 EHADRM COc1ccc2cc(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)ccc2c1 ZINC001324647430 957309990 /nfs/dbraw/zinc/30/99/90/957309990.db2.gz WJAUTWMFDSGQPB-AWEZNQCLSA-N -1 0 341.407 3.565 20 0 EHADRM O=C([O-])c1cccnc1SCc1cc(Br)cs1 ZINC000043686663 957440163 /nfs/dbraw/zinc/44/01/63/957440163.db2.gz OSMVNXYRCIADLQ-UHFFFAOYSA-N -1 0 330.228 3.896 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)Nc2ccc(F)cc2Cl)c1 ZINC000390231942 972271027 /nfs/dbraw/zinc/27/10/27/972271027.db2.gz SBYAISAGKWTFDU-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000053105288 957516334 /nfs/dbraw/zinc/51/63/34/957516334.db2.gz ZBUHWKUVBVBWGF-XBXARRHUSA-N -1 0 346.766 3.708 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)[C@H]1Cc3ccccc3S1)CCC2 ZINC000390317211 972274812 /nfs/dbraw/zinc/27/48/12/972274812.db2.gz PHBHGCFOEYSVOT-CYBMUJFWSA-N -1 0 345.445 3.591 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Cc1ccc2ccccc2c1)C1CCCCC1 ZINC000059991741 957570223 /nfs/dbraw/zinc/57/02/23/957570223.db2.gz YOCLRJFEPLPVRB-IBGZPJMESA-N -1 0 325.408 3.532 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc(Br)cc1Cl ZINC000061834212 957588080 /nfs/dbraw/zinc/58/80/80/957588080.db2.gz QGZOHACTWSQCIL-SSDOTTSWSA-N -1 0 334.597 3.542 20 0 EHADRM Cc1cc(C(=O)CSCCC(=O)[O-])c(C)n1Cc1ccccc1 ZINC001594274556 957711308 /nfs/dbraw/zinc/71/13/08/957711308.db2.gz YDGBTUPBTISZSI-UHFFFAOYSA-N -1 0 331.437 3.544 20 0 EHADRM CC(=O)c1ccccc1OCCOc1ccc(C(=O)[O-])cc1Cl ZINC000390527124 972291401 /nfs/dbraw/zinc/29/14/01/972291401.db2.gz WAKAMRNQBFGJII-UHFFFAOYSA-N -1 0 334.755 3.699 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)c2cc(C)cc(C(=O)[O-])c2)c(C)c1 ZINC001594285805 957777962 /nfs/dbraw/zinc/77/79/62/957777962.db2.gz JZPRDDONWAGNAD-HNNXBMFYSA-N -1 0 325.408 3.671 20 0 EHADRM CN(C(=O)Cc1c(Cl)cccc1Cl)C1(C(=O)[O-])CCCCC1 ZINC000390546827 972292927 /nfs/dbraw/zinc/29/29/27/972292927.db2.gz CTKGZODGOIHGJA-UHFFFAOYSA-N -1 0 344.238 3.782 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)O[C@H]2COc3cc(Cl)ccc32)c1 ZINC001594289381 957812832 /nfs/dbraw/zinc/81/28/32/957812832.db2.gz RMPCXPJFGMTTSM-HNNXBMFYSA-N -1 0 332.739 3.637 20 0 EHADRM CSC[C@@H]1CCCN(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000390568934 972294347 /nfs/dbraw/zinc/29/43/47/972294347.db2.gz VJYPJHCKSJGXSB-SNVBAGLBSA-N -1 0 342.848 3.645 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(c2nc(C(F)F)nc3ccccc32)C1 ZINC001335645702 957821002 /nfs/dbraw/zinc/82/10/02/957821002.db2.gz CZKOIPJNVCCZHG-KRWDZBQOSA-N -1 0 335.354 3.649 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N2CC[C@H]2c2ccc(Cl)cc2)o1 ZINC001574799096 957829021 /nfs/dbraw/zinc/82/90/21/957829021.db2.gz AYYCICLWPSWHHP-QPBFKRLHSA-N -1 0 331.755 3.618 20 0 EHADRM O=C([O-])c1ccc(CN2CCN(C3CC3)c3ccc(F)cc32)cc1 ZINC001574800649 957831865 /nfs/dbraw/zinc/83/18/65/957831865.db2.gz OQHWOGXZGHMGKR-UHFFFAOYSA-N -1 0 326.371 3.513 20 0 EHADRM COc1cc(Cl)c(C)cc1NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001594058800 958069094 /nfs/dbraw/zinc/06/90/94/958069094.db2.gz IUFZYZLFESCFLL-ARJAWSKDSA-N -1 0 335.743 3.600 20 0 EHADRM Cc1cc(NC(=O)NC[C@@]2(O)CCCC(C)(C)CC2)ccc1C(=O)[O-] ZINC001594319229 958107205 /nfs/dbraw/zinc/10/72/05/958107205.db2.gz DUCVILGSMBRCLA-LJQANCHMSA-N -1 0 348.443 3.536 20 0 EHADRM Cc1cc(NC(=O)Nc2cc(F)cc(N(C)C)c2)ccc1C(=O)[O-] ZINC001594323221 958139705 /nfs/dbraw/zinc/13/97/05/958139705.db2.gz GGGMFVANOJSYNZ-UHFFFAOYSA-N -1 0 331.347 3.542 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C1 ZINC001358237744 958202256 /nfs/dbraw/zinc/20/22/56/958202256.db2.gz IVOMLZBHTQKOFJ-KRWDZBQOSA-N -1 0 334.803 3.538 20 0 EHADRM COc1cc(NC(=O)NCC2(C(=O)[O-])CCCCC2)ccc1Cl ZINC000391481069 972340540 /nfs/dbraw/zinc/34/05/40/972340540.db2.gz SQCLYSZFPGGSIR-UHFFFAOYSA-N -1 0 340.807 3.505 20 0 EHADRM COc1ccc(CN2C[C@H](CCC(=O)[O-])Cc3ccccc32)cc1 ZINC001594092998 958370960 /nfs/dbraw/zinc/37/09/60/958370960.db2.gz PPFHHPOEJVLRHQ-MRXNPFEDSA-N -1 0 325.408 3.739 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)C3(C(=O)[O-])CCCCC3)C2)cc1 ZINC001594353444 958383754 /nfs/dbraw/zinc/38/37/54/958383754.db2.gz BHIOERHQJJXYEN-NVXWUHKLSA-N -1 0 329.440 3.735 20 0 EHADRM COc1ccc(NC(=O)C2(C(=O)[O-])CCCCCC2)c2ncccc12 ZINC001594102068 958449634 /nfs/dbraw/zinc/44/96/34/958449634.db2.gz VREGZYCEWAJGOB-UHFFFAOYSA-N -1 0 342.395 3.607 20 0 EHADRM Cc1ccc(F)c2[nH]c(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc21 ZINC001594365381 958486182 /nfs/dbraw/zinc/48/61/82/958486182.db2.gz PIXPKDBRTIASQJ-CYBMUJFWSA-N -1 0 334.391 3.625 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2c(Cl)cccc2Cl)c1O ZINC000124594305 958537776 /nfs/dbraw/zinc/53/77/76/958537776.db2.gz MENSXUUNMQLMMW-UHFFFAOYSA-N -1 0 326.135 3.650 20 0 EHADRM Cc1ccc(Nc2scnc2C(=O)NCCCCCC(=O)[O-])cc1 ZINC001594373118 958557495 /nfs/dbraw/zinc/55/74/95/958557495.db2.gz CAIODFPNCXJVDN-UHFFFAOYSA-N -1 0 347.440 3.570 20 0 EHADRM Cc1ccc(NC(=O)c2coc(/C=C/C(=O)[O-])c2)cc1OC(C)C ZINC001594373714 958571256 /nfs/dbraw/zinc/57/12/56/958571256.db2.gz VHYMAWOKHNVTNF-VOTSOKGWSA-N -1 0 329.352 3.725 20 0 EHADRM C/C(=C/C(=O)NC[C@@H](C(=O)[O-])C(C)C)c1ccccc1C(F)(F)F ZINC001588479728 958579322 /nfs/dbraw/zinc/57/93/22/958579322.db2.gz BYBCVEQXAVHOGZ-BIRHUZIMSA-N -1 0 343.345 3.582 20 0 EHADRM COc1ccc2cc(/C=C\C(=O)Nc3ccnc(C(=O)[O-])c3)ccc2c1 ZINC001594118407 958579806 /nfs/dbraw/zinc/57/98/06/958579806.db2.gz LOJBRJCRAKQYFF-CLTKARDFSA-N -1 0 348.358 3.594 20 0 EHADRM Cc1ccc(OCCCC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c(C)c1 ZINC001594375806 958585440 /nfs/dbraw/zinc/58/54/40/958585440.db2.gz NPHYRJBFXNLEEJ-QGZVFWFLSA-N -1 0 347.455 3.708 20 0 EHADRM Cc1ccc(OCCCCNC(=O)C2(C(=O)[O-])CCCCCC2)cc1 ZINC001594375950 958588360 /nfs/dbraw/zinc/58/83/60/958588360.db2.gz MSABBGKLZDYIRR-UHFFFAOYSA-N -1 0 347.455 3.695 20 0 EHADRM COc1cccc(-c2n[nH]cc2CNc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001594119936 958588709 /nfs/dbraw/zinc/58/87/09/958588709.db2.gz JLXUAAAJGQSZSO-UHFFFAOYSA-N -1 0 337.379 3.704 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])c1 ZINC001594123404 958611466 /nfs/dbraw/zinc/61/14/66/958611466.db2.gz JUZCWTYFPQPQSE-SPYBWZPUSA-N -1 0 347.455 3.681 20 0 EHADRM Cc1ccc2[nH]cc(CCNC(=O)Nc3ccccc3C(=O)[O-])c2c1 ZINC001594381499 958629749 /nfs/dbraw/zinc/62/97/49/958629749.db2.gz LFLMIELXRZQWOA-UHFFFAOYSA-N -1 0 337.379 3.539 20 0 EHADRM Cc1ccc2c(ccc(C)c2C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC001594381579 958630774 /nfs/dbraw/zinc/63/07/74/958630774.db2.gz NWIORDBJOHZMDH-CJNGLKHVSA-N -1 0 325.408 3.639 20 0 EHADRM C[C@](NC(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C)(C(=O)[O-])c1ccccc1 ZINC001603234437 972363533 /nfs/dbraw/zinc/36/35/33/972363533.db2.gz NYTBMDQWPZQPPK-LLGFUMIMSA-N -1 0 337.419 3.542 20 0 EHADRM Cc1ccc2nc(NC(=O)C3(C(=O)[O-])C(C)(C)C3(C)C)sc2c1 ZINC001594385030 958654023 /nfs/dbraw/zinc/65/40/23/958654023.db2.gz CBPIWGFISYVNSA-UHFFFAOYSA-N -1 0 332.425 3.680 20 0 EHADRM Cc1cc(Cl)c(NC(=O)NC2(CC(=O)[O-])CCC2)cc1Cl ZINC000128364400 958660290 /nfs/dbraw/zinc/66/02/90/958660290.db2.gz REWKAHUUJRWFKM-UHFFFAOYSA-N -1 0 331.199 3.821 20 0 EHADRM Cc1ccc2sc(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])cc2c1 ZINC001594386340 958675140 /nfs/dbraw/zinc/67/51/40/958675140.db2.gz UNOXVXXCEHOYBR-HNNXBMFYSA-N -1 0 339.416 3.635 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)C1CC(c2ccc(F)cc2)C1)C(=O)[O-] ZINC001573394636 958710881 /nfs/dbraw/zinc/71/08/81/958710881.db2.gz GIALFCIZRBILPD-XUJLQICISA-N -1 0 335.419 3.715 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)Nc1snc2ccccc21)C(=O)[O-] ZINC001573394970 958711967 /nfs/dbraw/zinc/71/19/67/958711967.db2.gz JSVIRXFETHBDPS-GFCCVEGCSA-N -1 0 335.429 3.697 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Cc1c(Cl)cccc1Cl)c1cccs1 ZINC000129602929 958712265 /nfs/dbraw/zinc/71/22/65/958712265.db2.gz URYNWRSUPOSATQ-ZDUSSCGKSA-N -1 0 344.219 3.540 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N[C@@H](C(=O)[O-])c2cccs2)c1 ZINC000129602681 958712983 /nfs/dbraw/zinc/71/29/83/958712983.db2.gz GCHWHGBJRQPVGE-GFCCVEGCSA-N -1 0 341.841 3.679 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2ccc(-c3ccccc3)[nH]2)C(=O)[O-])c1 ZINC001594393627 958751406 /nfs/dbraw/zinc/75/14/06/958751406.db2.gz NKMWCIDQEKBMHI-SFHVURJKSA-N -1 0 334.375 3.546 20 0 EHADRM Cc1cccc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1Br ZINC000131933136 958757308 /nfs/dbraw/zinc/75/73/08/958757308.db2.gz QPSLAYFANAPBOD-QWRGUYRKSA-N -1 0 340.217 3.587 20 0 EHADRM O=C([O-])c1nn(-c2ccccc2)cc1OCc1ccc(F)cc1Cl ZINC000391886883 972386450 /nfs/dbraw/zinc/38/64/50/972386450.db2.gz VJMIGAMJGWZCKH-UHFFFAOYSA-N -1 0 346.745 3.942 20 0 EHADRM Cc1cccc2cc(C(=O)N3C[C@H](C(=O)[O-])CC[C@H]3C)c(Cl)nc12 ZINC001594412372 958956481 /nfs/dbraw/zinc/95/64/81/958956481.db2.gz CZUVVMPHPDOQIJ-DGCLKSJQSA-N -1 0 346.814 3.522 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)c2cccc(C(F)F)c2)c2ccccc21 ZINC001605743715 972390354 /nfs/dbraw/zinc/39/03/54/972390354.db2.gz OAWDGUFVVXGYMG-GJZGRUSLSA-N -1 0 331.318 3.667 20 0 EHADRM O=C([O-])c1cc(Oc2ccc(Cl)cc2[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000143857446 958985151 /nfs/dbraw/zinc/98/51/51/958985151.db2.gz LVXUPYRROJCTGC-UHFFFAOYSA-N -1 0 338.659 3.647 20 0 EHADRM C[C@@H](C(=O)N1CCCc2cc(C(=O)[O-])ccc21)c1cccc(F)c1 ZINC001588551026 959017848 /nfs/dbraw/zinc/01/78/48/959017848.db2.gz NETAABVVNBNXPP-GFCCVEGCSA-N -1 0 327.355 3.607 20 0 EHADRM CC(C)CC[C@H]1CCCCN1C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC001573516746 959102480 /nfs/dbraw/zinc/10/24/80/959102480.db2.gz GOYLVNRDHDJDQL-HZPDHXFCSA-N -1 0 326.481 3.734 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)N(CCSc1ccc(F)cc1)c1ccccc1 ZINC001588561951 959103347 /nfs/dbraw/zinc/10/33/47/959103347.db2.gz AXKFZDFUKXSUPQ-ZDUSSCGKSA-N -1 0 347.411 3.672 20 0 EHADRM CC(C)COc1cccc(NC(=O)c2coc(/C=C/C(=O)[O-])c2)c1 ZINC001573524654 959139080 /nfs/dbraw/zinc/13/90/80/959139080.db2.gz JJTPAYCELBATBJ-VOTSOKGWSA-N -1 0 329.352 3.665 20 0 EHADRM CC(C)COc1cccc(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)c1 ZINC001573525044 959142820 /nfs/dbraw/zinc/14/28/20/959142820.db2.gz UDXCZMSFDBDQTA-VQHVLOKHSA-N -1 0 329.352 3.665 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC001594190356 959169024 /nfs/dbraw/zinc/16/90/24/959169024.db2.gz XGMYXOWRWVWANT-LLVKDONJSA-N -1 0 330.837 3.683 20 0 EHADRM CC(C)Cc1ccc(CCCC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])cc1 ZINC001573539457 959184919 /nfs/dbraw/zinc/18/49/19/959184919.db2.gz KWTPWVXSRMYQMU-MSOLQXFVSA-N -1 0 331.456 3.577 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)Nc1ccc(Oc2ccnc3ccccc32)cc1 ZINC001588575542 959222377 /nfs/dbraw/zinc/22/23/77/959222377.db2.gz PDYJFRMNJPKCTM-LBPRGKRZSA-N -1 0 336.347 3.686 20 0 EHADRM Cc1coc(-c2ccc(C)c(NC(=O)[C@@]3(C(=O)[O-])CC=CCC3)c2)n1 ZINC001594436446 959242299 /nfs/dbraw/zinc/24/22/99/959242299.db2.gz ZZJUKYFRSOQWQZ-LJQANCHMSA-N -1 0 340.379 3.708 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)C(F)(F)c1ccc(C(C)(C)C)cc1)C1CC1 ZINC001588582142 959267682 /nfs/dbraw/zinc/26/76/82/959267682.db2.gz HTDYLGRNDABYIG-NSHDSACASA-N -1 0 339.382 3.540 20 0 EHADRM CC(C)c1cc(C(=O)Nc2ncccc2C(=O)[O-])c2ccccc2n1 ZINC001573559363 959271922 /nfs/dbraw/zinc/27/19/22/959271922.db2.gz NBYOKGTZMLHQAD-UHFFFAOYSA-N -1 0 335.363 3.704 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000392144769 972415823 /nfs/dbraw/zinc/41/58/23/972415823.db2.gz AUTUSGSPTSKXHQ-MCIONIFRSA-N -1 0 349.393 3.895 20 0 EHADRM Cc1nc(-c2cccc(-c3nc(C4(C(=O)[O-])CCC4)no3)c2)cs1 ZINC001594444245 959316024 /nfs/dbraw/zinc/31/60/24/959316024.db2.gz SMDPVCCFOBHCKM-UHFFFAOYSA-N -1 0 341.392 3.675 20 0 EHADRM Cc1nc(-c2ccccc2)sc1COC(=O)[C@@H](C(=O)[O-])C(C)C ZINC001594445986 959329984 /nfs/dbraw/zinc/32/99/84/959329984.db2.gz OSRMFFPIBAXFIA-CQSZACIVSA-N -1 0 333.409 3.519 20 0 EHADRM Cc1nc(CCC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)cs1 ZINC001594452383 959387500 /nfs/dbraw/zinc/38/75/00/959387500.db2.gz FDNDNFDCSONDSL-UHFFFAOYSA-N -1 0 342.779 3.514 20 0 EHADRM Cc1ccc(Br)c(C(=O)Nc2ccc(C(=O)[O-])s2)c1 ZINC000168980213 959396554 /nfs/dbraw/zinc/39/65/54/959396554.db2.gz VJNIOTNQBCWLDI-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM C[C@@H](C(=O)[O-])c1noc(-c2cc(-c3ccccn3)ccc2Cl)n1 ZINC001588600216 959415752 /nfs/dbraw/zinc/41/57/52/959415752.db2.gz SQBOCSSNTDXHHD-SECBINFHSA-N -1 0 329.743 3.640 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2ccc(C)cc2C(=O)[O-])cc1 ZINC000170583551 959419109 /nfs/dbraw/zinc/41/91/09/959419109.db2.gz KTNHWDSUDJOXAR-UHFFFAOYSA-N -1 0 325.364 3.603 20 0 EHADRM O=C([O-])C1(CNC(=O)C2(c3ccc(Cl)cc3)CC2)CCCCC1 ZINC000179193338 959433438 /nfs/dbraw/zinc/43/34/38/959433438.db2.gz HFAXHVDOONBEBC-UHFFFAOYSA-N -1 0 335.831 3.523 20 0 EHADRM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)c1cc(C(=O)[O-])co1 ZINC000183797637 959449361 /nfs/dbraw/zinc/44/93/61/959449361.db2.gz AAYITVLAFCEQCG-ZDUSSCGKSA-N -1 0 327.380 3.981 20 0 EHADRM CCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C(=O)[O-])co1 ZINC000183808832 959451498 /nfs/dbraw/zinc/45/14/98/959451498.db2.gz CDXFZUACJISQRN-UHFFFAOYSA-N -1 0 343.257 3.648 20 0 EHADRM C[C@H](CSc1ccccc1)N(C)C(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001573607776 959460055 /nfs/dbraw/zinc/46/00/55/959460055.db2.gz INMUZVFKWHSQFX-CZUORRHYSA-N -1 0 335.469 3.517 20 0 EHADRM CCC1CCC(NC(=O)COc2c(C)cc(C)cc2C)(C(=O)[O-])CC1 ZINC000392248640 972432893 /nfs/dbraw/zinc/43/28/93/972432893.db2.gz HJFHKNCIZSOYQP-UHFFFAOYSA-N -1 0 347.455 3.530 20 0 EHADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)O[C@H]1CCc2c1cc(Cl)cc2Cl ZINC001594232006 959482131 /nfs/dbraw/zinc/48/21/31/959482131.db2.gz XRPPMSYXXRSFLY-RCKOGCMLSA-N -1 0 329.179 3.635 20 0 EHADRM C[C@@](NC(=O)Cc1ccc(C2CCC2)cc1)(C(=O)[O-])c1ccccc1 ZINC001573616347 959495006 /nfs/dbraw/zinc/49/50/06/959495006.db2.gz LBAJQDYIOSRUNL-NRFANRHFSA-N -1 0 337.419 3.613 20 0 EHADRM Cc1csc2nc(C)c(CN3CC[C@@H](C(=O)[O-])c4ccccc43)n12 ZINC001594467747 959515649 /nfs/dbraw/zinc/51/56/49/959515649.db2.gz HCLWZNVPRIFEDX-CQSZACIVSA-N -1 0 341.436 3.591 20 0 EHADRM C[C@H](NC(=O)Nc1cc(C(=O)[O-])ccn1)c1ccc2c(c1)CCCC2 ZINC001594238541 959520440 /nfs/dbraw/zinc/52/04/40/959520440.db2.gz HOKHDHDPPZSWDV-LBPRGKRZSA-N -1 0 339.395 3.541 20 0 EHADRM Cc1cccc(C[C@H](CNC(=O)c2cccc(C)c2Cl)C(=O)[O-])c1 ZINC000190987760 959534385 /nfs/dbraw/zinc/53/43/85/959534385.db2.gz IEYRZBNJJNSKCW-OAHLLOKOSA-N -1 0 345.826 3.630 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2csc(C3CC3)n2)cc1)C(=O)[O-] ZINC000191421257 959564747 /nfs/dbraw/zinc/56/47/47/959564747.db2.gz YLMIDZFFMNRISN-JTQLQIEISA-N -1 0 330.409 3.536 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc3nc(C4CC4)sc3c2)o1 ZINC000191578213 959583293 /nfs/dbraw/zinc/58/32/93/959583293.db2.gz OXYIHBUYULTXOB-UHFFFAOYSA-N -1 0 328.349 3.717 20 0 EHADRM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1ccc(C(=O)[O-])cn1 ZINC000191648460 959586935 /nfs/dbraw/zinc/58/69/35/959586935.db2.gz JZXNZRJGEWZSJI-NSHDSACASA-N -1 0 347.440 3.501 20 0 EHADRM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)CC(C)(C)CC(=O)[O-] ZINC000191647989 959587156 /nfs/dbraw/zinc/58/71/56/959587156.db2.gz RHWGRKGUCCDQTO-GFCCVEGCSA-N -1 0 340.489 3.985 20 0 EHADRM C[C@H](C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1)c1ccccc1 ZINC000192864691 959592525 /nfs/dbraw/zinc/59/25/25/959592525.db2.gz RNPWORUEHZPWHZ-ZDUSSCGKSA-N -1 0 347.361 3.572 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)c1ccc(OC2CCC2)cc1)C(=O)[O-] ZINC001588647132 959743808 /nfs/dbraw/zinc/74/38/08/959743808.db2.gz CASZIBCOGWITTF-INIZCTEOSA-N -1 0 333.428 3.627 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)CCOc1ccccc1Cl)C(=O)[O-] ZINC001588650419 959760493 /nfs/dbraw/zinc/76/04/93/959760493.db2.gz KCXXBPSSMHHHEA-CYBMUJFWSA-N -1 0 341.835 3.505 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)c1coc(C2CCCCC2)n1)C(=O)[O-] ZINC001588652705 959782588 /nfs/dbraw/zinc/78/25/88/959782588.db2.gz DJWJFVDONNKKAB-CYBMUJFWSA-N -1 0 336.432 3.732 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C2(c3cccc(Cl)c3)CCCC2)C1 ZINC001573697643 959789239 /nfs/dbraw/zinc/78/92/39/959789239.db2.gz BBLNHCYJBMTWIF-ZIAGYGMSSA-N -1 0 349.858 3.721 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)NCC2(C(=O)[O-])CCC2)C[C@@H](c2ccccc2)C1 ZINC001573701586 959836422 /nfs/dbraw/zinc/83/64/22/959836422.db2.gz QDEFOPQCQGCCRO-BHYGNILZSA-N -1 0 344.455 3.513 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001573701766 959837285 /nfs/dbraw/zinc/83/72/85/959837285.db2.gz RTXOUXXRMIMNNY-IOASZLSFSA-N -1 0 339.395 3.578 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1cc(Cl)sc1Cl ZINC000223833630 959843976 /nfs/dbraw/zinc/84/39/76/959843976.db2.gz RUHLLJVBMOUKQI-UHFFFAOYSA-N -1 0 342.203 3.956 20 0 EHADRM CCC(C)(CC)NC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000230968125 960175142 /nfs/dbraw/zinc/17/51/42/960175142.db2.gz WFSWIDXJWQFBMU-UHFFFAOYSA-N -1 0 343.221 3.848 20 0 EHADRM C[C@@H](NC(=O)c1cc(Br)cc(C(=O)[O-])c1)c1ccccc1 ZINC000231279810 960195221 /nfs/dbraw/zinc/19/52/21/960195221.db2.gz KTKWSHORSUHYHK-SNVBAGLBSA-N -1 0 348.196 3.638 20 0 EHADRM COc1ccc(CN(C)Cc2ccc(C(=O)[O-])cc2)c(Cl)c1OC ZINC000392458718 972488430 /nfs/dbraw/zinc/48/84/30/972488430.db2.gz KVJWDEDXRCTPNT-UHFFFAOYSA-N -1 0 349.814 3.687 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC[C@H]1CCC2(CCCC2)O1 ZINC000392514246 972492660 /nfs/dbraw/zinc/49/26/60/972492660.db2.gz FODHRADWBUUJHO-ZQMJAJRESA-N -1 0 332.396 3.664 20 0 EHADRM CC(C)c1csc(NC(=O)N2CCc3c(cccc3C(=O)[O-])C2)n1 ZINC000392520592 972494258 /nfs/dbraw/zinc/49/42/58/972494258.db2.gz PLEQGXHIHFCSKE-UHFFFAOYSA-N -1 0 345.424 3.555 20 0 EHADRM COc1ccc2c(c1)[C@@H](C(=O)OCc1ccc(C(=O)[O-])cc1)CCC2 ZINC001574226464 960399543 /nfs/dbraw/zinc/39/95/43/960399543.db2.gz ZFCRHCMJGGHPPK-KRWDZBQOSA-N -1 0 340.375 3.557 20 0 EHADRM C[C@@H]1CCN(C(=O)NCC2CC(C)(C)CC(C)(C)C2)C[C@@H]1C(=O)[O-] ZINC001573726706 960414072 /nfs/dbraw/zinc/41/40/72/960414072.db2.gz QPXUKXYTKVEVNR-HIFRSBDPSA-N -1 0 338.492 3.591 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)NCc2c(Cl)oc3ccccc32)c1 ZINC001605792565 972502158 /nfs/dbraw/zinc/50/21/58/972502158.db2.gz AKIPGNTUVBIOPW-UHFFFAOYSA-N -1 0 345.742 3.501 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc(C(C)(C)C)c(F)c2)C[C@@H]1C(=O)[O-] ZINC001573735183 960430559 /nfs/dbraw/zinc/43/05/59/960430559.db2.gz BYXXGOQVDOMWSN-YPMHNXCESA-N -1 0 336.407 3.698 20 0 EHADRM COc1ccccc1CCCN1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC001574239306 960457663 /nfs/dbraw/zinc/45/76/63/960457663.db2.gz MYKNPSRBMCQSBW-QGZVFWFLSA-N -1 0 325.408 3.706 20 0 EHADRM COc1ccccc1CCCN1CC[C@H](C(=O)[O-])c2ccccc21 ZINC001574239298 960458049 /nfs/dbraw/zinc/45/80/49/960458049.db2.gz MYKNPSRBMCQSBW-KRWDZBQOSA-N -1 0 325.408 3.706 20 0 EHADRM C[C@H](NC(=O)c1cc2c(s1)CC[C@H](C)C2)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001573738929 960473986 /nfs/dbraw/zinc/47/39/86/960473986.db2.gz LQTISBLWKZCABG-AUZPSNTRSA-N -1 0 349.496 3.738 20 0 EHADRM C[C@H]1CN(C(=O)[C@@]2(C(=O)[O-])CC=CCC2)CCc2ccc(Cl)cc21 ZINC001573738971 960476233 /nfs/dbraw/zinc/47/62/33/960476233.db2.gz MGYRGGIPKWDANP-ORAYPTAESA-N -1 0 347.842 3.639 20 0 EHADRM C[C@@H](CC(=O)N1CCCC[C@@H]1c1ccc(C(=O)[O-])n1C)c1ccco1 ZINC001123398080 960481577 /nfs/dbraw/zinc/48/15/77/960481577.db2.gz KBSXFNCUECMNLN-DZGCQCFKSA-N -1 0 344.411 3.564 20 0 EHADRM CCOc1ccccc1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000392681959 972508647 /nfs/dbraw/zinc/50/86/47/972508647.db2.gz SWLLXFNOOUFUBB-UHFFFAOYSA-N -1 0 336.294 3.706 20 0 EHADRM O=C([O-])CC1CCN(c2nccc3c(Br)cccc32)CC1 ZINC000236428815 960584371 /nfs/dbraw/zinc/58/43/71/960584371.db2.gz FDNHUXNNFSWAFQ-UHFFFAOYSA-N -1 0 349.228 3.688 20 0 EHADRM CCc1oc2ccccc2c1C(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC001255838345 960656509 /nfs/dbraw/zinc/65/65/09/960656509.db2.gz BQAHRDGIHCSICA-KRWDZBQOSA-N -1 0 341.338 3.690 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc(Br)c2F)cc1 ZINC000236483121 960670177 /nfs/dbraw/zinc/67/01/77/960670177.db2.gz UKBBJPPZXJDRPE-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM CC(C)C[C@H](NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000236594928 960713430 /nfs/dbraw/zinc/71/34/30/960713430.db2.gz OPCXQUMQQUFHTN-RISCZKNCSA-N -1 0 345.361 3.815 20 0 EHADRM Cc1ccc(CC(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)s1 ZINC000236625841 960719085 /nfs/dbraw/zinc/71/90/85/960719085.db2.gz NOMWLSPXTXGKOG-UHFFFAOYSA-N -1 0 333.409 3.723 20 0 EHADRM CCC(CC)(CNC(=O)N1CC[C@H]([C@H]2CCCC2(C)C)C1)C(=O)[O-] ZINC001573783775 960721306 /nfs/dbraw/zinc/72/13/06/960721306.db2.gz ALZCQLQCHVPXLA-LSDHHAIUSA-N -1 0 338.492 3.735 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC001573784836 960730927 /nfs/dbraw/zinc/73/09/27/960730927.db2.gz JJQFXGLGSJVAFI-UHFFFAOYSA-N -1 0 328.368 3.703 20 0 EHADRM Cc1cc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c(C)n1C(C)C ZINC000236705002 960736086 /nfs/dbraw/zinc/73/60/86/960736086.db2.gz JENHRQCRCCAWPZ-UHFFFAOYSA-N -1 0 328.412 3.656 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(OCC(=O)[O-])cc2C)c(C)n1C(C)C ZINC000236710980 960740234 /nfs/dbraw/zinc/74/02/34/960740234.db2.gz MOFQIBDTAXYCLC-UHFFFAOYSA-N -1 0 344.411 3.710 20 0 EHADRM Cc1cccc(COc2cccc(C(=O)N(CC(=O)[O-])C(C)C)c2)c1 ZINC000236720910 960741528 /nfs/dbraw/zinc/74/15/28/960741528.db2.gz VHBXBKPGIKSLBX-UHFFFAOYSA-N -1 0 341.407 3.509 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)C(C)(C)Oc2ccccc2)cc1 ZINC001261631283 960750572 /nfs/dbraw/zinc/75/05/72/960750572.db2.gz OJPVMJMGVYWCBG-ZDUSSCGKSA-N -1 0 327.380 3.671 20 0 EHADRM CCCN(C(=O)c1ccc(C(=O)[O-])o1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000236753360 960750764 /nfs/dbraw/zinc/75/07/64/960750764.db2.gz YPACNBNNCWKTEP-JKSUJKDBSA-N -1 0 349.427 3.568 20 0 EHADRM CC(C)Oc1cccc([C@H](C)NC(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000236774854 960755886 /nfs/dbraw/zinc/75/58/86/960755886.db2.gz ITCPJBIISGEJRY-ZDUSSCGKSA-N -1 0 327.380 3.663 20 0 EHADRM CCC(CC)(CNC(=O)C(C)(C)Oc1cccc(Cl)c1)C(=O)[O-] ZINC000236825408 960765618 /nfs/dbraw/zinc/76/56/18/960765618.db2.gz ZHMZTWHVXVDZFH-UHFFFAOYSA-N -1 0 341.835 3.505 20 0 EHADRM CCC[C@](C)(NC(=O)c1ccc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC000236842438 960771636 /nfs/dbraw/zinc/77/16/36/960771636.db2.gz AUGPXBMDWDQAPB-KRWDZBQOSA-N -1 0 335.787 3.973 20 0 EHADRM Cc1cc(F)c2c(c1)CCCN2C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001574314814 960772607 /nfs/dbraw/zinc/77/26/07/960772607.db2.gz BCUUVSUPVYWBOW-UHFFFAOYSA-N -1 0 327.355 3.734 20 0 EHADRM Cc1cc(C(=O)Nc2sc3c(c2C(=O)[O-])C[C@H](C)O[C@@H]3C)c(C)[nH]1 ZINC001574314797 960773375 /nfs/dbraw/zinc/77/33/75/960773375.db2.gz AKOFDSQIIZYOTH-WCBMZHEXSA-N -1 0 348.424 3.666 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)CSc1ccc2ccccc2c1)C(=O)[O-] ZINC000236937405 960805062 /nfs/dbraw/zinc/80/50/62/960805062.db2.gz LGNUMQHWLBTRBT-YVEFUNNKSA-N -1 0 331.437 3.547 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000236942670 960806727 /nfs/dbraw/zinc/80/67/27/960806727.db2.gz HFDSOZSUQIECQP-LBPRGKRZSA-N -1 0 346.814 3.727 20 0 EHADRM CCN(CC(=O)[O-])C(=O)c1ccc(SCc2ccccc2)cc1 ZINC000236981399 960823484 /nfs/dbraw/zinc/82/34/84/960823484.db2.gz FVBOECXHDFGAAI-UHFFFAOYSA-N -1 0 329.421 3.526 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@H](C)Oc1cc(C(C)C)ccc1C ZINC000237023137 960840816 /nfs/dbraw/zinc/84/08/16/960840816.db2.gz HDGVWWVQOBFTCV-LIRRHRJNSA-N -1 0 335.444 3.645 20 0 EHADRM CC[C@H](CNC(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12)C(=O)[O-] ZINC001573804287 960841377 /nfs/dbraw/zinc/84/13/77/960841377.db2.gz PEMFAHXAAJPZRJ-CYBMUJFWSA-N -1 0 340.423 3.570 20 0 EHADRM CCc1nc(CC(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)cs1 ZINC000237033586 960847013 /nfs/dbraw/zinc/84/70/13/960847013.db2.gz WPVWFYNREQFDER-UHFFFAOYSA-N -1 0 346.433 3.800 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000237110384 960872750 /nfs/dbraw/zinc/87/27/50/960872750.db2.gz FOIOPHAMIXHVQC-XJKCOSOUSA-N -1 0 344.238 3.857 20 0 EHADRM COc1ccc(CNC(=O)c2sccc2C(C)C)cc1C(=O)[O-] ZINC000237314658 960907656 /nfs/dbraw/zinc/90/76/56/960907656.db2.gz XRQFZRGXZCZUAK-UHFFFAOYSA-N -1 0 333.409 3.508 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)NCc1ccccc1Cl)C(=O)[O-] ZINC000237378233 960921690 /nfs/dbraw/zinc/92/16/90/960921690.db2.gz HWAVFQZXCQPEGX-LLVKDONJSA-N -1 0 349.839 3.835 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)c1cccc2ncccc21)C(=O)[O-] ZINC000237407895 960930094 /nfs/dbraw/zinc/93/00/94/960930094.db2.gz SOOAQCWYUYTVAC-OAHLLOKOSA-N -1 0 348.402 3.598 20 0 EHADRM COc1ccc(N(C(=O)c2ccc(C(=O)[O-])s2)[C@H](C)C2CC2)cc1 ZINC000237458052 960938793 /nfs/dbraw/zinc/93/87/93/960938793.db2.gz OCYYVXYECFQJAR-LLVKDONJSA-N -1 0 345.420 3.900 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N(C)Cc1cccc(F)c1)C(=O)[O-] ZINC000237549206 960957518 /nfs/dbraw/zinc/95/75/18/960957518.db2.gz DCMPVUNLWLSISQ-LBPRGKRZSA-N -1 0 347.411 3.663 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001319852864 960961150 /nfs/dbraw/zinc/96/11/50/960961150.db2.gz ZMLFXMHADALEBU-GPZRYRNASA-N -1 0 341.382 3.870 20 0 EHADRM Cc1cc2sc(NC(=O)/C=C/c3ccc(C(=O)[O-])o3)nc2cc1F ZINC001574348446 960976934 /nfs/dbraw/zinc/97/69/34/960976934.db2.gz XULPGGZVLIIYIX-HWKANZROSA-N -1 0 346.339 3.687 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N[C@]3(C)CCCC[C@H]3C(=O)[O-])c(Cl)c2c1 ZINC001321134472 960994183 /nfs/dbraw/zinc/99/41/83/960994183.db2.gz BUTJWRVIPMWVKV-KPZWWZAWSA-N -1 0 348.830 3.893 20 0 EHADRM Cc1sc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1-c1ccc(F)cc1 ZINC000237701860 961001828 /nfs/dbraw/zinc/00/18/28/961001828.db2.gz KEETWFHTNLCUGA-OCCSQVGLSA-N -1 0 347.411 3.846 20 0 EHADRM Cc1cccc(OCCCCC(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000237711387 961005161 /nfs/dbraw/zinc/00/51/61/961005161.db2.gz QMOIBEHGFZDGJX-UHFFFAOYSA-N -1 0 327.380 3.881 20 0 EHADRM Cc1cc(C(=O)N(C)CCCC(=O)[O-])c(C)n1[C@H](C)c1ccccc1 ZINC000237766210 961019412 /nfs/dbraw/zinc/01/94/12/961019412.db2.gz JWPXPYYYSIDXEO-OAHLLOKOSA-N -1 0 342.439 3.651 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)c(Cl)c2c1 ZINC001323507373 961020262 /nfs/dbraw/zinc/02/02/62/961020262.db2.gz ONUHNBZAKSANMN-LBPRGKRZSA-N -1 0 348.830 3.847 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3coc(/C=C/C(=O)[O-])c3)C2)cc1 ZINC001574361497 961029242 /nfs/dbraw/zinc/02/92/42/961029242.db2.gz LSJNVCQKQJELGI-XIHNBGGYSA-N -1 0 339.391 3.704 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)CCCc2ccc(Cl)cc2)c1 ZINC000237977914 961061943 /nfs/dbraw/zinc/06/19/43/961061943.db2.gz LDJAKOYKAUQUDZ-UHFFFAOYSA-N -1 0 347.798 3.765 20 0 EHADRM Cc1ccc(NC(=O)CCCC(=O)[O-])c(-c2nc3ccccc3[nH]2)c1 ZINC001574373929 961076735 /nfs/dbraw/zinc/07/67/35/961076735.db2.gz HKGOUASKFZVKSH-UHFFFAOYSA-N -1 0 337.379 3.732 20 0 EHADRM CCCC[C@H](CC)C(=O)Nc1sc2c(c1C(=O)[O-])COCC2 ZINC001573841669 961087036 /nfs/dbraw/zinc/08/70/36/961087036.db2.gz YQQLJTKPSWLGPV-JTQLQIEISA-N -1 0 325.430 3.674 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(-c3nccs3)c2)s1 ZINC000238056194 961089818 /nfs/dbraw/zinc/08/98/18/961089818.db2.gz DXIXYOOTYVNVCV-UHFFFAOYSA-N -1 0 330.390 3.822 20 0 EHADRM CC(C)(C(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC001326425697 961091900 /nfs/dbraw/zinc/09/19/00/961091900.db2.gz HSPLKQBYYIICIR-MRXNPFEDSA-N -1 0 344.238 3.594 20 0 EHADRM CCCCN(C(=O)c1cccc(OCC(=O)[O-])c1)C1CCCCC1 ZINC001573843277 961097532 /nfs/dbraw/zinc/09/75/32/961097532.db2.gz XRYFZYJSJXNADI-UHFFFAOYSA-N -1 0 333.428 3.725 20 0 EHADRM CC(C)(C)OCCCC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001588732701 961099986 /nfs/dbraw/zinc/09/99/86/961099986.db2.gz FACQSUWZFUAJJD-UHFFFAOYSA-N -1 0 331.771 3.711 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cc(Cl)ccc1F)c1ccc(F)cc1 ZINC000238160685 961136874 /nfs/dbraw/zinc/13/68/74/961136874.db2.gz XNFXBYNEMDPJQH-CQSZACIVSA-N -1 0 339.725 3.564 20 0 EHADRM Cc1cc(C)cc([C@@H]2CCN(C(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)C2)c1 ZINC000249326096 961202699 /nfs/dbraw/zinc/20/26/99/961202699.db2.gz SAVIMEUFRHDLEJ-GVDBMIGSSA-N -1 0 329.440 3.510 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1cccc(Oc2ccccc2)n1 ZINC001588764073 961242614 /nfs/dbraw/zinc/24/26/14/961242614.db2.gz MRANSNSKTPAGKK-UHFFFAOYSA-N -1 0 343.383 3.639 20 0 EHADRM CC(C)(CCNC(=O)N1CC2(CC=CC2)[C@@H]1c1ccccc1)C(=O)[O-] ZINC001588774231 961269135 /nfs/dbraw/zinc/26/91/35/961269135.db2.gz FQFLKKFCWRVMEG-INIZCTEOSA-N -1 0 342.439 3.590 20 0 EHADRM CC(C)(CNC(=O)N1CCCC[C@@H]1CCC(=O)[O-])Cc1ccccc1 ZINC001588778802 961290497 /nfs/dbraw/zinc/29/04/97/961290497.db2.gz ANKBKEBLXLZFCY-QGZVFWFLSA-N -1 0 346.471 3.684 20 0 EHADRM C[C@@H](NC(=O)c1cccc(CC(=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC001330789398 961354632 /nfs/dbraw/zinc/35/46/32/961354632.db2.gz DTGQDEINDHFFRJ-LLVKDONJSA-N -1 0 346.452 3.559 20 0 EHADRM Cc1ccc2c(c1)S[C@@H](C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1)C2 ZINC001331399694 961375301 /nfs/dbraw/zinc/37/53/01/961375301.db2.gz PRAACRJXSNGXBO-SJKOYZFVSA-N -1 0 341.432 3.839 20 0 EHADRM CC(C)(CCNC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000261654087 961385832 /nfs/dbraw/zinc/38/58/32/961385832.db2.gz JZPGKPNPALLKAN-UHFFFAOYSA-N -1 0 327.380 3.710 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)CCCC2CCCCC2)Cc2ccccc21 ZINC000261694188 961387537 /nfs/dbraw/zinc/38/75/37/961387537.db2.gz NZKBTVOUJVUTDN-GOSISDBHSA-N -1 0 329.440 3.948 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)c2sccc2-c2ccccc2)C1 ZINC000261759624 961391312 /nfs/dbraw/zinc/39/13/12/961391312.db2.gz PROPZPKSPLQSRL-SFHVURJKSA-N -1 0 329.421 3.742 20 0 EHADRM CC(C)(C)c1ccc2cc(C(=O)NCCCCCC(=O)[O-])[nH]c2c1 ZINC000262005514 961405084 /nfs/dbraw/zinc/40/50/84/961405084.db2.gz RIVNMOAFGXJCEP-UHFFFAOYSA-N -1 0 330.428 3.840 20 0 EHADRM CC[C@@H](NC(=O)Cc1ccccc1C(=O)[O-])C(C)(C)c1ccccc1 ZINC000262066683 961426131 /nfs/dbraw/zinc/42/61/31/961426131.db2.gz CKODAVSZDIBOMI-GOSISDBHSA-N -1 0 339.435 3.800 20 0 EHADRM CC(C)c1cccc(N(C)C(=O)c2cccc(OCC(=O)[O-])c2)c1 ZINC000262073271 961432217 /nfs/dbraw/zinc/43/22/17/961432217.db2.gz FRXYKQFWDVJFKM-UHFFFAOYSA-N -1 0 327.380 3.550 20 0 EHADRM Cn1cc(-c2csc(NC(=O)C(F)=C3CCCC3)c2C(=O)[O-])cn1 ZINC001574449993 961470151 /nfs/dbraw/zinc/47/01/51/961470151.db2.gz QUMYRNDTIYAESU-UHFFFAOYSA-N -1 0 349.387 3.583 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000262134442 961488954 /nfs/dbraw/zinc/48/89/54/961488954.db2.gz HTWDLTDHRNRJIO-HXUWFJFHSA-N -1 0 327.424 3.666 20 0 EHADRM CCSCc1ccccc1C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001332164187 961496337 /nfs/dbraw/zinc/49/63/37/961496337.db2.gz KMNRRMVWDIMVOP-UHFFFAOYSA-N -1 0 347.436 3.812 20 0 EHADRM CCOc1cccc2cc([C@H](C)NC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)oc21 ZINC001573926312 961556172 /nfs/dbraw/zinc/55/61/72/961556172.db2.gz WHFMFJPMXMJBIF-FPMFFAJLSA-N -1 0 345.395 3.510 20 0 EHADRM O=C([O-])c1cccc(CC(=O)Nc2cccc(OC3CCCC3)c2)c1 ZINC000262225633 961570586 /nfs/dbraw/zinc/57/05/86/961570586.db2.gz RRMGKKZNXHUZNN-UHFFFAOYSA-N -1 0 339.391 3.887 20 0 EHADRM CCSc1ccccc1CC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001573932417 961588583 /nfs/dbraw/zinc/58/85/83/961588583.db2.gz UAXFRBNIDYALLQ-AWEZNQCLSA-N -1 0 337.485 3.737 20 0 EHADRM CC(C)[C@H](CNC(=O)N1CC2(CCCC2)c2c1cccc2F)C(=O)[O-] ZINC001588822163 961633877 /nfs/dbraw/zinc/63/38/77/961633877.db2.gz BTJJCNHPQQLHPM-ZDUSSCGKSA-N -1 0 348.418 3.524 20 0 EHADRM O=C([O-])CC1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 ZINC000262312534 961635923 /nfs/dbraw/zinc/63/59/23/961635923.db2.gz OHKFLBUPLODVQL-UHFFFAOYSA-N -1 0 339.391 3.806 20 0 EHADRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])sc2C)c(C)n1CC1CC1 ZINC001332796401 961636615 /nfs/dbraw/zinc/63/66/15/961636615.db2.gz ARFKBFMWMYIKEM-UHFFFAOYSA-N -1 0 332.425 3.835 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1[nH]c2ccc(F)cc2c1Cl ZINC000262318403 961640138 /nfs/dbraw/zinc/64/01/38/961640138.db2.gz QEWRFFPIMZTKBO-UHFFFAOYSA-N -1 0 340.782 3.725 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000262321047 961643374 /nfs/dbraw/zinc/64/33/74/961643374.db2.gz VTYRGJCEYUWDTP-UHFFFAOYSA-N -1 0 327.380 3.743 20 0 EHADRM CCc1ccc(C(C)(C)CNC(=O)[C@@H](C(=O)[O-])C2CCCC2)cc1 ZINC001573955461 961668677 /nfs/dbraw/zinc/66/86/77/961668677.db2.gz XJDSYEBXUMZCTL-KRWDZBQOSA-N -1 0 331.456 3.534 20 0 EHADRM CC(C)[C@H](CNC(=O)c1cc2cccc(Cl)c2s1)C(=O)[O-] ZINC001588829813 961692175 /nfs/dbraw/zinc/69/21/75/961692175.db2.gz VWIWMNMDLUFVSA-JTQLQIEISA-N -1 0 325.817 3.641 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000262424544 961711714 /nfs/dbraw/zinc/71/17/14/961711714.db2.gz RJWWRVUEKLIZNG-CQSZACIVSA-N -1 0 341.407 3.845 20 0 EHADRM CCO[C@@H](C(=O)Nc1cc(C(=O)[O-])c(C)cc1C)c1ccccc1 ZINC000262427026 961714134 /nfs/dbraw/zinc/71/41/34/961714134.db2.gz BGJXBCNPCPTLSU-QGZVFWFLSA-N -1 0 327.380 3.718 20 0 EHADRM COc1ccc([C@H](NC(=O)c2ccc(C(=O)[O-])cc2F)C(C)C)cc1 ZINC000262443162 961723364 /nfs/dbraw/zinc/72/33/64/961723364.db2.gz TVSIAMLKITXPAG-QGZVFWFLSA-N -1 0 345.370 3.660 20 0 EHADRM CC(C)[C@@H](CNc1ncnc2c(-c3ccccc3)nsc21)C(=O)[O-] ZINC001588831345 961727197 /nfs/dbraw/zinc/72/71/97/961727197.db2.gz YBRJYNDNEQMJLS-GFCCVEGCSA-N -1 0 342.424 3.522 20 0 EHADRM COc1ccc(C(C)(C)C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC000262457036 961731627 /nfs/dbraw/zinc/73/16/27/961731627.db2.gz FIPCMYJGJACCJN-UHFFFAOYSA-N -1 0 341.407 3.927 20 0 EHADRM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001588833397 961734039 /nfs/dbraw/zinc/73/40/39/961734039.db2.gz KSBSOJUSHKGBSZ-XAVKZTDYSA-N -1 0 345.370 3.514 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CCC(CC(=O)[O-])CC2)c1 ZINC000262492420 961748740 /nfs/dbraw/zinc/74/87/40/961748740.db2.gz WRHZKMWIITYQIB-HNNXBMFYSA-N -1 0 347.455 3.599 20 0 EHADRM CCCC[C@H](NC(=O)c1ccc(C2SCCS2)cc1)C(=O)[O-] ZINC000262574553 961778868 /nfs/dbraw/zinc/77/88/68/961778868.db2.gz ZRGVWOWXHKZSLX-ZDUSSCGKSA-N -1 0 339.482 3.538 20 0 EHADRM CN(C(=O)c1cccc(OCC(=O)[O-])c1)c1cccc2ccccc21 ZINC001573983154 961779147 /nfs/dbraw/zinc/77/91/47/961779147.db2.gz MGFKYBOWYJMFNL-UHFFFAOYSA-N -1 0 335.359 3.580 20 0 EHADRM CC(C)CN(C(=O)c1cc(Br)cc(C(=O)[O-])c1)C(C)C ZINC000262663854 961798088 /nfs/dbraw/zinc/79/80/88/961798088.db2.gz MPYVVEIBIMTVOS-UHFFFAOYSA-N -1 0 342.233 3.654 20 0 EHADRM C[C@@H]1CCC[C@H](C)N1C(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000262675580 961802595 /nfs/dbraw/zinc/80/25/95/961802595.db2.gz QWHNYDDSFPSFFQ-AOOOYVTPSA-N -1 0 340.217 3.550 20 0 EHADRM C[C@H]1CCC[C@H](C)N1C(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000262675604 961802682 /nfs/dbraw/zinc/80/26/82/961802682.db2.gz QWHNYDDSFPSFFQ-UWVGGRQHSA-N -1 0 340.217 3.550 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCC[C@H]2c2cccc(Cl)c2)cn1 ZINC000262688694 961808732 /nfs/dbraw/zinc/80/87/32/961808732.db2.gz BQCIVNAVADMLRF-INIZCTEOSA-N -1 0 344.798 3.801 20 0 EHADRM O=C([O-])c1cncc(NC(=O)/C=C\c2ccc(F)c3ccccc23)c1 ZINC001574513126 961820937 /nfs/dbraw/zinc/82/09/37/961820937.db2.gz FKBQQCYLULYFBC-VURMDHGXSA-N -1 0 336.322 3.724 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H]2/C=C/c2ccccc2)C1 ZINC000262759525 961852327 /nfs/dbraw/zinc/85/23/27/961852327.db2.gz KOAGJBWLODCCEW-BYSFPVEXSA-N -1 0 327.424 3.582 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)CCCC2CCOCC2)c1Cl ZINC001574524280 961866877 /nfs/dbraw/zinc/86/68/77/961866877.db2.gz KRMDWJWGLLUNGO-UHFFFAOYSA-N -1 0 343.782 3.713 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)N[C@H]1CCC[C@H](c2ccccc2)CC1 ZINC001574004760 961889601 /nfs/dbraw/zinc/88/96/01/961889601.db2.gz OATFAOMOPLIPKC-IRXDYDNUSA-N -1 0 332.444 3.609 20 0 EHADRM CC[C@@H](C(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccc(F)cc1 ZINC000262842900 961909544 /nfs/dbraw/zinc/90/95/44/961909544.db2.gz SHVSAKKMDPIIPV-QGZVFWFLSA-N -1 0 329.371 3.975 20 0 EHADRM Cc1cccc2c(CCC(=O)N[C@]3(C)CCCC[C@@H]3C(=O)[O-])c[nH]c21 ZINC000262845266 961911989 /nfs/dbraw/zinc/91/19/89/961911989.db2.gz SPMJKWHURMGFEO-OXQOHEQNSA-N -1 0 342.439 3.559 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)O[C@H](C1CCCC1)C(F)(F)F ZINC001574537635 961923220 /nfs/dbraw/zinc/92/32/20/961923220.db2.gz FKANXOCCDUAHFH-CQSZACIVSA-N -1 0 330.302 3.592 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000262881256 961956135 /nfs/dbraw/zinc/95/61/35/961956135.db2.gz XVEIIYWKLQIOII-DIFFPNOSSA-N -1 0 338.473 3.512 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)NC1(CC(=O)[O-])CCCC1 ZINC000262881970 961956475 /nfs/dbraw/zinc/95/64/75/961956475.db2.gz KSGSGALECZEPOH-UHFFFAOYSA-N -1 0 335.400 3.866 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CN(C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)CC2 ZINC000262913749 961993377 /nfs/dbraw/zinc/99/33/77/961993377.db2.gz KDOUWLMYYQEQAJ-WKILWMFISA-N -1 0 343.467 3.760 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)c2ccc(Cl)c(F)c2)c2ccccc21 ZINC001574557307 961996205 /nfs/dbraw/zinc/99/62/05/961996205.db2.gz IUEQAHWJUOZQCZ-SWLSCSKDSA-N -1 0 333.746 3.522 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2ccc(F)c(Cl)c2)c2ccccc21 ZINC001574558564 962005796 /nfs/dbraw/zinc/00/57/96/962005796.db2.gz XXLNPKKNEAHDJW-IUODEOHRSA-N -1 0 333.746 3.522 20 0 EHADRM C[C@@H](CC(=O)NCCC(C)(C)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000262938726 962023315 /nfs/dbraw/zinc/02/33/15/962023315.db2.gz HNLOLUNIVBJOIY-NSHDSACASA-N -1 0 345.361 3.816 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1C ZINC001339717025 962067552 /nfs/dbraw/zinc/06/75/52/962067552.db2.gz YIGYLIMYXWTTLN-HZPDHXFCSA-N -1 0 332.444 3.651 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1ccc2c(c1)CCCC2 ZINC000263002088 962096703 /nfs/dbraw/zinc/09/67/03/962096703.db2.gz RGXREKGNTDXIBF-UHFFFAOYSA-N -1 0 325.364 3.525 20 0 EHADRM O=C([O-])C1CCN(C(=O)N[C@H]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC001340568521 962105118 /nfs/dbraw/zinc/10/51/18/962105118.db2.gz CWCNOWJLMZUTPL-WMZOPIPTSA-N -1 0 344.455 3.609 20 0 EHADRM O=C([O-])CCCCNC(=O)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001340566924 962105239 /nfs/dbraw/zinc/10/52/39/962105239.db2.gz KRDVMLBQLZLBHX-DZGCQCFKSA-N -1 0 338.835 3.530 20 0 EHADRM CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)[C@H](CC)C(=O)[O-] ZINC000263025639 962137339 /nfs/dbraw/zinc/13/73/39/962137339.db2.gz ANOIIGZATJQMPM-CYBMUJFWSA-N -1 0 347.242 3.507 20 0 EHADRM CC(C)COc1ccccc1[C@H](CC(C)C)NC(=O)[C@H](C)C(=O)[O-] ZINC001588880331 962138768 /nfs/dbraw/zinc/13/87/68/962138768.db2.gz LXLRWTBAVYLWIF-HOCLYGCPSA-N -1 0 335.444 3.646 20 0 EHADRM CC(C)C[C@@H](NC(=O)C1(c2ccc(C(C)(C)C)cc2)CC1)C(=O)[O-] ZINC001588881152 962147389 /nfs/dbraw/zinc/14/73/89/962147389.db2.gz CESKMGALDYVKEG-MRXNPFEDSA-N -1 0 331.456 3.631 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(CCC(F)(F)F)cc2)[C@H](C(=O)[O-])C1 ZINC000263032963 962150319 /nfs/dbraw/zinc/15/03/19/962150319.db2.gz OQLZSWFSWSNXIU-FZMZJTMJSA-N -1 0 343.345 3.507 20 0 EHADRM COc1cccc([C@H](C)CC(=O)Nc2ccc(C(=O)[O-])c(OC)c2)c1 ZINC000263042163 962167285 /nfs/dbraw/zinc/16/72/85/962167285.db2.gz VUMYUDSOYXYTKZ-GFCCVEGCSA-N -1 0 343.379 3.534 20 0 EHADRM CSc1cc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)c(Cl)cc1Cl ZINC000263057466 962193685 /nfs/dbraw/zinc/19/36/85/962193685.db2.gz AXYBQAPCKRCNRY-JGVFFNPUSA-N -1 0 348.251 3.651 20 0 EHADRM C[C@H]1CN(C(=O)c2ccccc2Oc2ccccc2)CC[C@H]1C(=O)[O-] ZINC000263062642 962203467 /nfs/dbraw/zinc/20/34/67/962203467.db2.gz STGYFIAWAUHYQE-GOEBONIOSA-N -1 0 339.391 3.662 20 0 EHADRM CC[C@@H](C(=O)Nc1cc(COC)cc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000263068544 962211016 /nfs/dbraw/zinc/21/10/16/962211016.db2.gz JERFNQYPNUEWMJ-QGZVFWFLSA-N -1 0 345.370 3.803 20 0 EHADRM CC(C)C[C@H](CNC(=O)N[C@@H](c1ccccc1)C1CC1)CC(=O)[O-] ZINC001588893087 962217770 /nfs/dbraw/zinc/21/77/70/962217770.db2.gz TYHFQRXRVWMZRY-KSSFIOAISA-N -1 0 332.444 3.574 20 0 EHADRM CC(C)C[C@H](CNC(=O)N[C@H](C)[C@H](C)c1ccccc1)CC(=O)[O-] ZINC001588893103 962218040 /nfs/dbraw/zinc/21/80/40/962218040.db2.gz UAGFYJITCQVUQP-XHSDSOJGSA-N -1 0 334.460 3.615 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)CCCCc1cccc(O)c1 ZINC001345121853 962233727 /nfs/dbraw/zinc/23/37/27/962233727.db2.gz NGIWEKIJKYGNHA-UHFFFAOYSA-N -1 0 333.409 3.812 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1ccc(C(C)(C)C)cn1 ZINC000263103400 962254636 /nfs/dbraw/zinc/25/46/36/962254636.db2.gz CZFYATVTSBDQQT-UHFFFAOYSA-N -1 0 326.396 3.946 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)c1ccc(F)cc1 ZINC001574621603 962256419 /nfs/dbraw/zinc/25/64/19/962256419.db2.gz TWEYNWBMZFHOHX-XHSDSOJGSA-N -1 0 347.773 3.525 20 0 EHADRM COCc1cc(NC(=O)C(C)(C)c2ccc(C)cc2)cc(C(=O)[O-])c1 ZINC000263112604 962263472 /nfs/dbraw/zinc/26/34/72/962263472.db2.gz PZWNMSGWUUVDTM-UHFFFAOYSA-N -1 0 341.407 3.756 20 0 EHADRM C[C@H](NC(=O)CCCC1CCCC1)c1ccc(OCC(=O)[O-])cc1 ZINC000263118902 962272132 /nfs/dbraw/zinc/27/21/32/962272132.db2.gz SCKUPLFDULHIKU-AWEZNQCLSA-N -1 0 333.428 3.688 20 0 EHADRM CC(C)(C(=O)Nc1cccc(CSCCC(=O)[O-])c1)C(F)(F)F ZINC001345755839 962283603 /nfs/dbraw/zinc/28/36/03/962283603.db2.gz VRQMPYLCNUHRBL-UHFFFAOYSA-N -1 0 349.374 3.922 20 0 EHADRM C[C@@H](CC(=O)NCCC(C)(C)C(=O)[O-])c1ccccc1C(F)(F)F ZINC000263141380 962295995 /nfs/dbraw/zinc/29/59/95/962295995.db2.gz WRHIMTBKDMBGQS-NSHDSACASA-N -1 0 345.361 3.816 20 0 EHADRM CCCOc1cc(OC)ccc1C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000263152339 962304567 /nfs/dbraw/zinc/30/45/67/962304567.db2.gz NXIQJBDHXMDFMB-UHFFFAOYSA-N -1 0 343.379 3.743 20 0 EHADRM Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)c(C)n1C1CCCCC1 ZINC000263156738 962307724 /nfs/dbraw/zinc/30/77/24/962307724.db2.gz VEQKWSLKJOELOC-CJNGLKHVSA-N -1 0 332.444 3.545 20 0 EHADRM Cc1cccc(C)c1OCC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000263172622 962325785 /nfs/dbraw/zinc/32/57/85/962325785.db2.gz GEXAUFALVPNMCY-AWEZNQCLSA-N -1 0 327.380 3.509 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1)C(=O)[O-] ZINC000263185146 962340489 /nfs/dbraw/zinc/34/04/89/962340489.db2.gz WSGPKHGBAYFMEN-OCBCSQNSSA-N -1 0 341.382 3.831 20 0 EHADRM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)o1 ZINC000263184543 962341011 /nfs/dbraw/zinc/34/10/11/962341011.db2.gz HSTYLSNZRKAUIR-HGTKMLMNSA-N -1 0 333.428 3.643 20 0 EHADRM Cc1ccc(OCC(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c(C)c1 ZINC000263197346 962351770 /nfs/dbraw/zinc/35/17/70/962351770.db2.gz JJSASVGSNDCTPV-CQSZACIVSA-N -1 0 327.380 3.509 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2nc(-c3ccccc3)cs2)CC=CCC1 ZINC001574641370 962356986 /nfs/dbraw/zinc/35/69/86/962356986.db2.gz UZGSUHOOEMLROB-KRWDZBQOSA-N -1 0 328.393 3.560 20 0 EHADRM C[C@H](CC(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000263202133 962357131 /nfs/dbraw/zinc/35/71/31/962357131.db2.gz NUNRGPQCLYPCOW-JTNHKYCSSA-N -1 0 343.345 3.521 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000263343589 962495313 /nfs/dbraw/zinc/49/53/13/962495313.db2.gz YGTKRZWWGXPBTN-CYBMUJFWSA-N -1 0 332.425 3.605 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2SCCc3ccccc32)cc1 ZINC000263356428 962511386 /nfs/dbraw/zinc/51/13/86/962511386.db2.gz XDSMJECRZZMILO-YVEFUNNKSA-N -1 0 341.432 3.844 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2F)co1 ZINC001574666393 962516027 /nfs/dbraw/zinc/51/60/27/962516027.db2.gz YDJIHMMZZAXNQD-MQDFFIGUSA-N -1 0 347.317 3.633 20 0 EHADRM CCOc1ccc(CCC(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)cc1 ZINC000263364068 962522146 /nfs/dbraw/zinc/52/21/46/962522146.db2.gz ZFLVUBROHRSYJS-CQSZACIVSA-N -1 0 341.407 3.845 20 0 EHADRM O=C([O-])CC[C@@H](CC1CCCCC1)NC(=O)CC[C@@H]1CCCCO1 ZINC000263377636 962534547 /nfs/dbraw/zinc/53/45/47/962534547.db2.gz BTHUXZCKIZQEFV-IRXDYDNUSA-N -1 0 339.476 3.656 20 0 EHADRM O=C([O-])CC1CC(Nc2cccc(NC(=O)c3cccs3)c2)C1 ZINC001350611612 962553662 /nfs/dbraw/zinc/55/36/62/962553662.db2.gz CQWKNQLQFJRFON-UHFFFAOYSA-N -1 0 330.409 3.666 20 0 EHADRM COc1ccc(CC(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)cc1 ZINC000263405389 962570098 /nfs/dbraw/zinc/57/00/98/962570098.db2.gz KKECIOZBOJULGF-KRWDZBQOSA-N -1 0 347.455 3.558 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@@]2(C)C(=O)[O-])sc1-c1ccc(F)cc1 ZINC000263412044 962579048 /nfs/dbraw/zinc/57/90/48/962579048.db2.gz HDVSVLDKPYZGJI-SFHVURJKSA-N -1 0 347.411 3.942 20 0 EHADRM CC(=O)N(c1ccc(NCc2ccc(C(=O)[O-])cc2)cc1)[C@H]1C[C@@H]1C ZINC000263421607 962591989 /nfs/dbraw/zinc/59/19/89/962591989.db2.gz PBJZEDVSOHIABP-DJJJIMSYSA-N -1 0 338.407 3.758 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1C[C@H](c2ccccc2C)C[C@H]1C ZINC000263455208 962643740 /nfs/dbraw/zinc/64/37/40/962643740.db2.gz UIYVEKJLMLHZAK-HUUCEWRRSA-N -1 0 341.407 3.542 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)NCC1(C(=O)[O-])CCC1)CCC2 ZINC001588969859 962666451 /nfs/dbraw/zinc/66/64/51/962666451.db2.gz RFSPDHZUCJJJRC-QGZVFWFLSA-N -1 0 344.455 3.742 20 0 EHADRM CCc1ccccc1NC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263487907 962673458 /nfs/dbraw/zinc/67/34/58/962673458.db2.gz NNMQHVDRVQDORN-KRWDZBQOSA-N -1 0 340.423 3.847 20 0 EHADRM O=C([O-])c1ccc(CNc2cccc(OC[C@H]3CCCO3)c2)cc1 ZINC000263493028 962677674 /nfs/dbraw/zinc/67/76/74/962677674.db2.gz RVXYUCGHMLYPSW-GOSISDBHSA-N -1 0 327.380 3.555 20 0 EHADRM O=C([O-])C1CCC(NC(=O)N2CC3(CCC3)[C@H]2c2ccccc2)CC1 ZINC000263498949 962682555 /nfs/dbraw/zinc/68/25/55/962682555.db2.gz UTHVQXIYGGCZNL-OFLPRAFFSA-N -1 0 342.439 3.567 20 0 EHADRM COc1ccc(CC[C@H](C)Nc2cccc(CCC(=O)[O-])c2)cc1O ZINC000263513900 962696998 /nfs/dbraw/zinc/69/69/98/962696998.db2.gz OEFZIVWINPCFOP-AWEZNQCLSA-N -1 0 343.423 3.851 20 0 EHADRM CC[C@H]1CC[C@H](C(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)CC1 ZINC000263528559 962710252 /nfs/dbraw/zinc/71/02/52/962710252.db2.gz LHACEBDVXSLEKN-VDHUWJSZSA-N -1 0 329.440 3.530 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000263550011 962723980 /nfs/dbraw/zinc/72/39/80/962723980.db2.gz VYEHDZIEUXFFPO-UHFFFAOYSA-N -1 0 327.380 3.608 20 0 EHADRM CC(C)(C)c1cccc2c1OCCN2C(=O)c1ccc(C(=O)[O-])s1 ZINC000263579928 962744699 /nfs/dbraw/zinc/74/46/99/962744699.db2.gz VJRLOXBATWKQHF-UHFFFAOYSA-N -1 0 345.420 3.783 20 0 EHADRM C[C@H]1CC[C@](NC(=O)c2ccc(C(F)F)o2)(C(=O)[O-])c2ccccc21 ZINC001517448001 962802739 /nfs/dbraw/zinc/80/27/39/962802739.db2.gz NRJRFAMPMYOKON-XTZNXHDOSA-N -1 0 349.333 3.824 20 0 EHADRM Cc1coc(C)c1C(=O)N[C@@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21 ZINC001520204649 962850773 /nfs/dbraw/zinc/85/07/73/962850773.db2.gz CEXSGWVCJXXOIK-WYRIXSBYSA-N -1 0 327.380 3.504 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N[C@@H]1CCCC(C)(C)C1)C(=O)[O-] ZINC001526774148 962911231 /nfs/dbraw/zinc/91/12/31/962911231.db2.gz GSBUKHMAZBDMAP-QWHCGFSZSA-N -1 0 335.469 3.950 20 0 EHADRM C[C@H](CC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)c1c[nH]c2ccccc21 ZINC001550382728 963004873 /nfs/dbraw/zinc/00/48/73/963004873.db2.gz UESCSAGOBLTWJC-DUXSXAKTSA-N -1 0 340.423 3.517 20 0 EHADRM O=C([O-])c1cncnc1Oc1cc(F)c(Cl)cc1Br ZINC000305928195 963162848 /nfs/dbraw/zinc/16/28/48/963162848.db2.gz IXSVAQSCZSJHOQ-UHFFFAOYSA-N -1 0 347.527 3.522 20 0 EHADRM O=C([O-])c1ccc(Br)cc1NC(=O)c1sccc1F ZINC000311778109 963511353 /nfs/dbraw/zinc/51/13/53/963511353.db2.gz YNKPVGGKFZDDJX-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM CC(C)(CCNC(=O)c1sc2ccccc2c1Cl)C(=O)[O-] ZINC000314090908 963709060 /nfs/dbraw/zinc/70/90/60/963709060.db2.gz HRYDDMKVNWCZNY-UHFFFAOYSA-N -1 0 325.817 3.785 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)c1cc(F)c(F)cc1Cl ZINC000314301331 963738382 /nfs/dbraw/zinc/73/83/82/963738382.db2.gz ZABPGQXTJBQLIA-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM C[C@@H](Nc1ccc(C(F)(F)F)cc1C#N)c1ncc(C(=O)[O-])s1 ZINC000314700934 963794175 /nfs/dbraw/zinc/79/41/75/963794175.db2.gz VAJNNFMZRSBVKP-SSDOTTSWSA-N -1 0 341.314 3.905 20 0 EHADRM C[C@@H](Nc1ccc(N(C)C)c(Cl)c1)c1ncc(C(=O)[O-])s1 ZINC000315413091 963897683 /nfs/dbraw/zinc/89/76/83/963897683.db2.gz VZLKEGBJQKQSDM-MRVPVSSYSA-N -1 0 325.821 3.734 20 0 EHADRM Cc1cc(=O)oc2cc(Oc3nc(Cl)c(C(=O)[O-])s3)ccc12 ZINC000316236605 963993592 /nfs/dbraw/zinc/99/35/92/963993592.db2.gz WTKLGMRHQCLCGC-UHFFFAOYSA-N -1 0 337.740 3.702 20 0 EHADRM C[C@@](NC(=O)c1cc2sccc2s1)(C(=O)[O-])c1ccccc1 ZINC000316345138 964005145 /nfs/dbraw/zinc/00/51/45/964005145.db2.gz HYWHHDIASBNXTE-INIZCTEOSA-N -1 0 331.418 3.693 20 0 EHADRM COc1ccc(NC(=O)/C=C\c2ccc(Cl)s2)c(C(=O)[O-])c1 ZINC000316495448 964018167 /nfs/dbraw/zinc/01/81/67/964018167.db2.gz PVWMWRQQTWMHAO-DAXSKMNVSA-N -1 0 337.784 3.760 20 0 EHADRM Cc1ccc(F)c(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1F ZINC000316753668 964052213 /nfs/dbraw/zinc/05/22/13/964052213.db2.gz FGVAREIGJSVVQK-UHFFFAOYSA-N -1 0 325.698 3.877 20 0 EHADRM CCc1cc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc(Cl)n1 ZINC000317017107 964088141 /nfs/dbraw/zinc/08/81/41/964088141.db2.gz AGUVJIOCBFXRPN-UHFFFAOYSA-N -1 0 339.178 3.901 20 0 EHADRM CC(C)Cc1ccc([C@H](NC(=O)[C@H]2CC[C@H]2C(=O)[O-])C2CC2)cc1 ZINC000262014630 967807599 /nfs/dbraw/zinc/80/75/99/967807599.db2.gz FTGNCXFIIRMZKL-KSZLIROESA-N -1 0 329.440 3.563 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cccc(Oc3ccccc3)c2)C1 ZINC000263123780 967851016 /nfs/dbraw/zinc/85/10/16/967851016.db2.gz CMJITLUNXTYYFK-HOCLYGCPSA-N -1 0 339.391 3.662 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CCCc2ccc3ccccc3c2)C1 ZINC000263325437 967872615 /nfs/dbraw/zinc/87/26/15/967872615.db2.gz KLUVDCSWGSOOSC-BEFAXECRSA-N -1 0 339.435 3.732 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)N(C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000263385009 967884841 /nfs/dbraw/zinc/88/48/41/967884841.db2.gz POPJFRUISCWITP-RDTXWAMCSA-N -1 0 338.407 3.678 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000263390759 967885977 /nfs/dbraw/zinc/88/59/77/967885977.db2.gz YPZXKJZLJUOAPI-WCBMZHEXSA-N -1 0 349.736 3.542 20 0 EHADRM CCN(C(=O)NCc1ccc(C(=O)[O-])cc1)[C@H](C)Cc1ccsc1 ZINC000263452669 967894414 /nfs/dbraw/zinc/89/44/14/967894414.db2.gz GQXICWQEKXBWST-CYBMUJFWSA-N -1 0 346.452 3.609 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000263497367 967897068 /nfs/dbraw/zinc/89/70/68/967897068.db2.gz RKOBBXGABVFNAZ-UHFFFAOYSA-N -1 0 326.396 3.703 20 0 EHADRM O=C([O-])c1ccc(Br)c(NC(=O)[C@@H]2CCC(F)(F)C2)c1 ZINC000312138328 967954746 /nfs/dbraw/zinc/95/47/46/967954746.db2.gz VUEIEFOGISHVAP-MRVPVSSYSA-N -1 0 348.143 3.521 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2Cl)CC[C@@H]1C(=O)[O-] ZINC000313840562 967962700 /nfs/dbraw/zinc/96/27/00/967962700.db2.gz KFXKOXJWCVMEEO-SCZZXKLOSA-N -1 0 331.199 3.568 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000314463511 967966858 /nfs/dbraw/zinc/96/68/58/967966858.db2.gz LZHVHUWJKFSHEV-WCQYABFASA-N -1 0 341.860 3.676 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@H](C)c2cc(C)sc2C)C1 ZINC000320423531 968006113 /nfs/dbraw/zinc/00/61/13/968006113.db2.gz IBWQNWOBQSVBNH-SJKOYZFVSA-N -1 0 338.473 3.712 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)/C=C/c1ccc(Cl)cc1 ZINC000324415846 968032646 /nfs/dbraw/zinc/03/26/46/968032646.db2.gz SBWKSIQLISQFOH-HKMNZKMDSA-N -1 0 341.794 3.564 20 0 EHADRM CSc1cccc(NC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1 ZINC000325774934 968041067 /nfs/dbraw/zinc/04/10/67/968041067.db2.gz URCLNTGYKNRZQI-INIZCTEOSA-N -1 0 342.420 3.624 20 0 EHADRM CC(C)(COCc1ccccc1)NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000389950717 968173810 /nfs/dbraw/zinc/17/38/10/968173810.db2.gz UIDNVCWDMHTGAJ-UHFFFAOYSA-N -1 0 342.395 3.502 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000417783895 968346309 /nfs/dbraw/zinc/34/63/09/968346309.db2.gz ZSWRKBRXPDESME-UHFFFAOYSA-N -1 0 343.383 3.640 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N(C)Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000424406401 968363524 /nfs/dbraw/zinc/36/35/24/968363524.db2.gz QNRKANDDENXFRP-SFHVURJKSA-N -1 0 342.439 3.728 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000564925574 968422090 /nfs/dbraw/zinc/42/20/90/968422090.db2.gz SYZXKJWPZMQKHS-ZLDLUXBVSA-N -1 0 344.411 3.554 20 0 EHADRM CCCOc1ccc(NC(=O)[C@@H](C(=O)[O-])C(C)C)cc1OCCC ZINC000579126006 968469453 /nfs/dbraw/zinc/46/94/53/968469453.db2.gz IIDMEOIHXOTKGK-INIZCTEOSA-N -1 0 337.416 3.560 20 0 EHADRM C[C@H](NC(=O)C1(c2ccc(Cl)cc2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655586207 968689092 /nfs/dbraw/zinc/68/90/92/968689092.db2.gz NNUZYTQXJZOWHB-TUKIKUTGSA-N -1 0 349.858 3.623 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ccc2[nH]c(-c3ccco3)nc2c1 ZINC000663032954 968764442 /nfs/dbraw/zinc/76/44/42/968764442.db2.gz UOPIHMWCMNUJOA-AWEZNQCLSA-N -1 0 341.367 3.508 20 0 EHADRM C[C@H](NC(=O)[C@H](C(=O)[O-])C(C)(C)C)c1nc(-c2ccccc2)cs1 ZINC000663084559 968792907 /nfs/dbraw/zinc/79/29/07/968792907.db2.gz WXAHTHHEKAQYGM-SMDDNHRTSA-N -1 0 346.452 3.734 20 0 EHADRM Cc1cnc(NC(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)s1 ZINC000669493630 968855062 /nfs/dbraw/zinc/85/50/62/968855062.db2.gz MWKFMAFZIWLDAN-UHFFFAOYSA-N -1 0 345.424 3.561 20 0 EHADRM C[C@@H](c1nc(C2CC2)no1)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000682185321 968870733 /nfs/dbraw/zinc/87/07/33/968870733.db2.gz STSFTMYVNIEYNX-LBPRGKRZSA-N -1 0 341.411 3.586 20 0 EHADRM O=C([O-])[C@@H]1CCCN1C(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000769515977 969163659 /nfs/dbraw/zinc/16/36/59/969163659.db2.gz JNTNMPIBUMIDAG-IBGZPJMESA-N -1 0 346.386 3.591 20 0 EHADRM C[C@H]1CN(C(=O)c2sccc2-c2ccc(F)cc2)CC[C@@H]1C(=O)[O-] ZINC000823340627 969204883 /nfs/dbraw/zinc/20/48/83/969204883.db2.gz KIJBOKIKNNKDBO-FZMZJTMJSA-N -1 0 347.411 3.737 20 0 EHADRM CCN(C(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C)[C@H](C)C(=O)[O-] ZINC000851696357 969280514 /nfs/dbraw/zinc/28/05/14/969280514.db2.gz QHDAENDLFFEJIX-GDBMZVCRSA-N -1 0 342.439 3.649 20 0 EHADRM CCCN(CCc1cccc(F)c1)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000864128425 969319311 /nfs/dbraw/zinc/31/93/11/969319311.db2.gz GJJAPMNDVYAKDY-VQHVLOKHSA-N -1 0 345.370 3.611 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)/C=C/c2ccc(F)c3ccccc23)CC1 ZINC000864131495 969320365 /nfs/dbraw/zinc/32/03/65/969320365.db2.gz XAZOODYJOGERHM-VQHVLOKHSA-N -1 0 341.382 3.705 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Nc1cccc(F)c1Cl ZINC000899313609 969418821 /nfs/dbraw/zinc/41/88/21/969418821.db2.gz NYPMBWTUDWZYDG-SNVBAGLBSA-N -1 0 328.771 3.730 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)[C@H]2CCCC23CC3)CC1 ZINC000901553113 969439502 /nfs/dbraw/zinc/43/95/02/969439502.db2.gz YWDATRRTQRXULN-QGZVFWFLSA-N -1 0 327.424 3.671 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)N2CCCCC[C@H]2c2ccncc2)co1 ZINC000901567414 969440360 /nfs/dbraw/zinc/44/03/60/969440360.db2.gz QRQAVCMNZKOVNL-OSJSJHBBSA-N -1 0 340.379 3.530 20 0 EHADRM C[C@@H](NC(=O)C1CC(c2ccc(F)cc2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000902029822 969509777 /nfs/dbraw/zinc/50/97/77/969509777.db2.gz PJLOQDUVULBLPW-BYSDRMFGSA-N -1 0 347.430 3.571 20 0 EHADRM C[C@H](NC(=O)C1CC(c2ccc(F)cc2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000902029823 969509813 /nfs/dbraw/zinc/50/98/13/969509813.db2.gz PJLOQDUVULBLPW-UAJGBIAQSA-N -1 0 347.430 3.571 20 0 EHADRM Cc1ccc(C(=O)Nc2cc(Br)cc(Cl)c2[O-])cn1 ZINC000342479678 1021280803 /nfs/dbraw/zinc/28/08/03/1021280803.db2.gz UDHKYFFWQXWRNJ-UHFFFAOYSA-N -1 0 341.592 3.764 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)[C@@H](C)c2ccc(Cl)s2)C1 ZINC001341238726 969747617 /nfs/dbraw/zinc/74/76/17/969747617.db2.gz LSFYXWLLBUITEC-BONVTDFDSA-N -1 0 329.849 3.608 20 0 EHADRM Cc1cc([C@H](C)NC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c(C)o1 ZINC001341307931 969748989 /nfs/dbraw/zinc/74/89/89/969748989.db2.gz NOXCRLVSIPYEBZ-GOPGUHFVSA-N -1 0 342.395 3.570 20 0 EHADRM CC(C)C[C@H](CNC(=O)/C=C\c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000317247464 970341848 /nfs/dbraw/zinc/34/18/48/970341848.db2.gz PFWOGAQGWIWTEN-VSQXVHSFSA-N -1 0 344.238 3.870 20 0 EHADRM COc1cc(Cl)c(S(=O)(=O)[N-]c2ccsc2)cc1Cl ZINC000438774585 1022986821 /nfs/dbraw/zinc/98/68/21/1022986821.db2.gz JVPHXSDMIBEVEV-UHFFFAOYSA-N -1 0 338.237 3.864 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC000317427840 970358008 /nfs/dbraw/zinc/35/80/08/970358008.db2.gz RLDHLNRZBHPJBG-UHFFFAOYSA-N -1 0 338.816 3.765 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)c1nc(C(C)C)ncc1Cl ZINC000317483101 970364711 /nfs/dbraw/zinc/36/47/11/970364711.db2.gz AUTSBVDEZHBVMJ-UHFFFAOYSA-N -1 0 339.804 3.574 20 0 EHADRM CCC1CCC(NC(=O)c2cc(Cl)ncc2Cl)(C(=O)[O-])CC1 ZINC000318390701 970431153 /nfs/dbraw/zinc/43/11/53/970431153.db2.gz MDFFKAQZHSLHIC-UHFFFAOYSA-N -1 0 345.226 3.542 20 0 EHADRM O=C([O-])Cc1ccccc1CNC(=O)c1cc(Cl)ccc1Cl ZINC000318888626 970485298 /nfs/dbraw/zinc/48/52/98/970485298.db2.gz HOOZYWWKOQCPSF-UHFFFAOYSA-N -1 0 338.190 3.551 20 0 EHADRM Cc1cc(NC(=O)COc2c(C)cc(C)cc2C)sc1C(=O)[O-] ZINC000319774534 970570369 /nfs/dbraw/zinc/57/03/69/970570369.db2.gz FNWSZGFVMIYWIF-UHFFFAOYSA-N -1 0 333.409 3.697 20 0 EHADRM O=C([O-])c1ccc(Sc2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC000320099587 970614673 /nfs/dbraw/zinc/61/46/73/970614673.db2.gz QESOFVPVZIIABB-UHFFFAOYSA-N -1 0 326.333 3.992 20 0 EHADRM Cc1ccc(Cl)c(OCC(=O)Nc2cccc(C(=O)[O-])c2C)c1 ZINC000320124512 970617448 /nfs/dbraw/zinc/61/74/48/970617448.db2.gz JIWCZQLWSVWOFA-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc3c(s2)CCCCCC3)C1 ZINC000320775023 970713172 /nfs/dbraw/zinc/71/31/72/970713172.db2.gz UNDDMZIZNGLPJH-GOSISDBHSA-N -1 0 335.469 3.734 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@@H]2C[C@@H]2c2ccccc2)ccc1Cl ZINC000320903483 970727724 /nfs/dbraw/zinc/72/77/24/970727724.db2.gz UNSIPMMGFKIDKR-IUODEOHRSA-N -1 0 330.771 3.716 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2ccc(OC(F)F)cc2)s1 ZINC000320928079 970729113 /nfs/dbraw/zinc/72/91/13/970729113.db2.gz XSYKVCDHZMKWSM-UHFFFAOYSA-N -1 0 341.335 3.862 20 0 EHADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1cccc(F)c1Sc1ccccc1 ZINC001605839536 972574650 /nfs/dbraw/zinc/57/46/50/972574650.db2.gz NNMCVZYZRZTVBV-HAQNSBGRSA-N -1 0 345.395 3.570 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001604999814 972601032 /nfs/dbraw/zinc/60/10/32/972601032.db2.gz XHTKRKPOPIFKGI-FDYHWXHSSA-N -1 0 335.366 3.599 20 0 EHADRM CC1(C)CCC(C)(C)c2cc(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)ccc21 ZINC001603326755 972671426 /nfs/dbraw/zinc/67/14/26/972671426.db2.gz BZADWNYWWICYGD-OKILXGFUSA-N -1 0 329.440 3.629 20 0 EHADRM CC1(C)CC[C@H](C(=O)Nc2cc(C(=O)[O-])n[nH]2)[C@@H](c2ccccc2)C1 ZINC001603327095 972673077 /nfs/dbraw/zinc/67/30/77/972673077.db2.gz GDFVAFRKUABXKA-UONOGXRCSA-N -1 0 341.411 3.657 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N[C@@H]1CC(C)(C)CCc2ccccc21 ZINC001603329756 972696856 /nfs/dbraw/zinc/69/68/56/972696856.db2.gz WWRBSOVQZZJLKM-FOIQADDNSA-N -1 0 329.440 3.707 20 0 EHADRM C[C@H](NCc1nc(C(=O)[O-])cs1)c1ccc(Cl)cc1Cl ZINC000394599801 972721460 /nfs/dbraw/zinc/72/14/60/972721460.db2.gz HXUAGUIQKBCUKK-ZETCQYMHSA-N -1 0 331.224 3.999 20 0 EHADRM Cc1c(Cl)cc2c(c1Cl)CCCN2C(=O)[C@H](C(=O)[O-])C1CC1 ZINC001605082256 972722749 /nfs/dbraw/zinc/72/27/49/972722749.db2.gz YLBUSYDRQKUQCW-CYBMUJFWSA-N -1 0 342.222 3.692 20 0 EHADRM O=C([O-])C1(C(=O)N2CC[C@H](c3cccc(F)c3)C2)CCCCCC1 ZINC001605908836 972754083 /nfs/dbraw/zinc/75/40/83/972754083.db2.gz BQMYMBFZXMRKFY-HNNXBMFYSA-N -1 0 333.403 3.567 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCCc3ccc(C)c(F)c32)c1 ZINC001605132463 972798633 /nfs/dbraw/zinc/79/86/33/972798633.db2.gz PEXLWZMPMNEPHD-UHFFFAOYSA-N -1 0 327.355 3.734 20 0 EHADRM Cc1cc(C)c(C)c(OCCC(=O)NC2(C(=O)[O-])CCCCCC2)c1 ZINC001605146371 972829290 /nfs/dbraw/zinc/82/92/90/972829290.db2.gz LXVAJBSMLRDMDL-UHFFFAOYSA-N -1 0 347.455 3.675 20 0 EHADRM Cc1csc([C@H](C)NC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)n1 ZINC000396422071 972879299 /nfs/dbraw/zinc/87/92/99/972879299.db2.gz DZEYXRNMXSSGDY-MNOVXSKESA-N -1 0 333.413 3.522 20 0 EHADRM Cc1cnc([C@@H](C)NC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)s1 ZINC000396438026 972887852 /nfs/dbraw/zinc/88/78/52/972887852.db2.gz MGXZJZQXQHGJRK-WDEREUQCSA-N -1 0 333.413 3.522 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NCc2ccc(Cl)s2)cc1 ZINC000396444345 972890910 /nfs/dbraw/zinc/89/09/10/972890910.db2.gz PACAMXYWELDLQA-SECBINFHSA-N -1 0 338.816 3.911 20 0 EHADRM CCc1ccccc1CNC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000396633192 972926455 /nfs/dbraw/zinc/92/64/55/972926455.db2.gz NOUTWNHARANMNC-ZDUSSCGKSA-N -1 0 326.396 3.759 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2CSc3ccccc32)cc1 ZINC000396656649 972931951 /nfs/dbraw/zinc/93/19/51/972931951.db2.gz WOWNRZYQIFAESB-IAQYHMDHSA-N -1 0 327.405 3.703 20 0 EHADRM Cc1cc(OCCCC(=O)Nc2ncccc2C(=O)[O-])ccc1Cl ZINC001605216610 972961930 /nfs/dbraw/zinc/96/19/30/972961930.db2.gz HOYQGCDITFXGKN-UHFFFAOYSA-N -1 0 348.786 3.539 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1cccc(COC(C)(C)C)c1 ZINC001603388469 972990115 /nfs/dbraw/zinc/99/01/15/972990115.db2.gz JLGSKBPBJIZCIK-DZGCQCFKSA-N -1 0 348.443 3.719 20 0 EHADRM Cc1ccc(C(=O)NC2(C(=O)[O-])CCCCCC2)cc1-n1cccc1 ZINC001605250441 973013226 /nfs/dbraw/zinc/01/32/26/973013226.db2.gz UMKLQOIBSKBZPK-UHFFFAOYSA-N -1 0 340.423 3.693 20 0 EHADRM Cc1ccc(C(F)(F)F)c(NC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC001605257131 973035279 /nfs/dbraw/zinc/03/52/79/973035279.db2.gz YVWGQIIDGQQLKN-WDEREUQCSA-N -1 0 344.333 3.588 20 0 EHADRM Cc1ccc([C@@H]2CCN(C(=O)NCC3(C(=O)[O-])CCC3)C2(C)C)cc1 ZINC001605262529 973037479 /nfs/dbraw/zinc/03/74/79/973037479.db2.gz JQCJVOXQSCXLIA-INIZCTEOSA-N -1 0 344.455 3.527 20 0 EHADRM Cc1ccc([C@@H]2CCC[C@H]2OC(=O)c2ccc(C(=O)[O-])cn2)cc1 ZINC001605262984 973040789 /nfs/dbraw/zinc/04/07/89/973040789.db2.gz PRLPYGJDVMIOGX-DOTOQJQBSA-N -1 0 325.364 3.581 20 0 EHADRM Cc1ccc(CN(C(=O)Nc2ccnc(C(=O)[O-])c2)C2CC2)cc1C ZINC001605273305 973060041 /nfs/dbraw/zinc/06/00/41/973060041.db2.gz ZRFLNKFGEZWTSY-UHFFFAOYSA-N -1 0 339.395 3.593 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)N[C@H](c2ccc(F)cc2)C2CCCCC2)C1 ZINC001605997362 973067203 /nfs/dbraw/zinc/06/72/03/973067203.db2.gz HVQKKNZVEBLKQA-WBVHZDCISA-N -1 0 348.418 3.563 20 0 EHADRM Cc1ccc2c(ccc(C)c2C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC001605310178 973134864 /nfs/dbraw/zinc/13/48/64/973134864.db2.gz OWASRTNMWUFDGN-GUYCJALGSA-N -1 0 325.408 3.639 20 0 EHADRM Cc1ccc2sc(CN[C@H](C(=O)[O-])c3ccc(F)cc3)nc2c1 ZINC001605314661 973142502 /nfs/dbraw/zinc/14/25/02/973142502.db2.gz GMNOCTWKHNVPED-INIZCTEOSA-N -1 0 330.384 3.659 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)NC2(c3ccc(F)cc3)CCCC2)co1 ZINC001606063334 973189412 /nfs/dbraw/zinc/18/94/12/973189412.db2.gz QOPLJKHVFVCXSW-FPLPWBNLSA-N -1 0 343.354 3.716 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000400498032 973289868 /nfs/dbraw/zinc/28/98/68/973289868.db2.gz MGMIBOUNYUZFLU-KBXCAEBGSA-N -1 0 325.408 3.973 20 0 EHADRM CCCc1sc(C(=O)N[C@@H](C[C@@H](C)CC)C(=O)[O-])cc1CC ZINC000400741226 973311186 /nfs/dbraw/zinc/31/11/86/973311186.db2.gz SIXUGALJKBFOGJ-AAEUAGOBSA-N -1 0 325.474 3.882 20 0 EHADRM Cc1csc(C(=O)N2C[C@H](CCC(=O)[O-])Cc3ccccc32)c1 ZINC001605381381 973344010 /nfs/dbraw/zinc/34/40/10/973344010.db2.gz NSRCRTJCBBUVBU-CYBMUJFWSA-N -1 0 329.421 3.740 20 0 EHADRM C/C=C\COc1cccc(CC(=O)OCc2ccc(C(=O)[O-])cc2)c1 ZINC001603481887 973392181 /nfs/dbraw/zinc/39/21/81/973392181.db2.gz GPAWKPWXQIGGSW-IHWYPQMZSA-N -1 0 340.375 3.626 20 0 EHADRM O=C([O-])CCSCC(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC001606210464 973458955 /nfs/dbraw/zinc/45/89/55/973458955.db2.gz RRDNIHKBOATZGO-GOSISDBHSA-N -1 0 335.469 3.632 20 0 EHADRM O=C([O-])CN(CC1CC1)C(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC001606225996 973477717 /nfs/dbraw/zinc/47/77/17/973477717.db2.gz IKLRDLYTBHSFKZ-UHFFFAOYSA-N -1 0 343.354 3.555 20 0 EHADRM CCC(CC)(CNC(=O)c1nc2ccccc2cc1Cl)C(=O)[O-] ZINC001603542110 973597706 /nfs/dbraw/zinc/59/77/06/973597706.db2.gz SHYNTCJXZHZBBB-UHFFFAOYSA-N -1 0 334.803 3.509 20 0 EHADRM O=C([O-])c1cc(Br)ccc1NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403263700 973669082 /nfs/dbraw/zinc/66/90/82/973669082.db2.gz YMDBUQNTOLOBRS-OPRDCNLKSA-N -1 0 338.201 3.522 20 0 EHADRM CC[C@H](CNC(=O)NCc1ccc(-c2cccc(C)c2)cc1)C(=O)[O-] ZINC001603562823 973682483 /nfs/dbraw/zinc/68/24/83/973682483.db2.gz WZYZXVUAQDXPPP-MRXNPFEDSA-N -1 0 340.423 3.572 20 0 EHADRM CC[C@H](Cc1ccc(F)cc1)NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001603575586 973723992 /nfs/dbraw/zinc/72/39/92/973723992.db2.gz VPTIFWAJNROBHC-OAHLLOKOSA-N -1 0 330.359 3.667 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)NCC[C@@H]1CCc2ccccc21 ZINC001606317850 973731692 /nfs/dbraw/zinc/73/16/92/973731692.db2.gz CANNRHYSTWZNLN-HNNXBMFYSA-N -1 0 338.407 3.555 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Cc2coc3cc(Cl)ccc23)C1 ZINC001603601931 973861766 /nfs/dbraw/zinc/86/17/66/973861766.db2.gz WFIVTKLKCQLZJT-GOSISDBHSA-N -1 0 349.814 3.732 20 0 EHADRM O=C([O-])[C@H]1CCCN1C(=O)Nc1cc(F)ccc1Oc1ccccc1 ZINC001606452564 973896573 /nfs/dbraw/zinc/89/65/73/973896573.db2.gz KZLILECZZDRJIN-OAHLLOKOSA-N -1 0 344.342 3.699 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N(Cc2ccccc2)C(C)(C)C)cc1 ZINC000107947324 1014150013 /nfs/dbraw/zinc/15/00/13/1014150013.db2.gz URIDIJGVLPFRKJ-DEOSSOPVSA-N -1 0 343.492 3.930 20 0 EHADRM COc1cc(NCc2ccc(C(=O)[O-])cc2)c2nccc(OC)c2c1 ZINC001604732074 973936774 /nfs/dbraw/zinc/93/67/74/973936774.db2.gz RWYIIDMIJBFXRL-UHFFFAOYSA-N -1 0 338.363 3.562 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(c2ccc(F)cc2)C2CCCC2)nc1 ZINC001606471227 973945589 /nfs/dbraw/zinc/94/55/89/973945589.db2.gz HYTRNLDLDDRCFR-UHFFFAOYSA-N -1 0 328.343 3.508 20 0 EHADRM Cc1cc(C)cc([C@H](NCc2ncc(C(C)(C)C)s2)C(=O)[O-])c1 ZINC000417571736 973961559 /nfs/dbraw/zinc/96/15/59/973961559.db2.gz XYZLRQYVRJYJIJ-INIZCTEOSA-N -1 0 332.469 3.973 20 0 EHADRM CCOc1ccc(CNc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1OC ZINC000417607268 973965743 /nfs/dbraw/zinc/96/57/43/973965743.db2.gz GDROEFICCANWLK-AWEZNQCLSA-N -1 0 343.423 3.969 20 0 EHADRM CC(C)Oc1ccccc1CNCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC000417710191 973966870 /nfs/dbraw/zinc/96/68/70/973966870.db2.gz ULDBAUNVSNFQAQ-UHFFFAOYSA-N -1 0 340.423 3.734 20 0 EHADRM CCC[C@H](NC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)C1CCCC1 ZINC001603634178 973968652 /nfs/dbraw/zinc/96/86/52/973968652.db2.gz ZMICTIBSXHDQHE-MSOLQXFVSA-N -1 0 344.455 3.739 20 0 EHADRM CCc1ccc([C@H](C)C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1 ZINC000422577981 973996097 /nfs/dbraw/zinc/99/60/97/973996097.db2.gz VFVRYLYCOYEGOV-LBPRGKRZSA-N -1 0 329.371 3.757 20 0 EHADRM O=C([O-])c1cccc(C(=O)N[C@H]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC001606508573 973999457 /nfs/dbraw/zinc/99/94/57/973999457.db2.gz QWJSLYDJPLIFSM-GUYCJALGSA-N -1 0 327.355 3.590 20 0 EHADRM CCCCN(CC)c1ccc(C(=O)NCCC(C)(C)C(=O)[O-])cc1 ZINC001603647422 974005513 /nfs/dbraw/zinc/00/55/13/974005513.db2.gz NOXCTTGYJQVCAI-UHFFFAOYSA-N -1 0 334.460 3.544 20 0 EHADRM CCCCOc1cccc(NC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC001603652670 974016482 /nfs/dbraw/zinc/01/64/82/974016482.db2.gz ZVIVLNNXLRJNRE-UONOGXRCSA-N -1 0 334.416 3.583 20 0 EHADRM Cc1cc(C)cc([C@@H](NCc2coc(-c3ccccc3)n2)C(=O)[O-])c1 ZINC000426752218 974045708 /nfs/dbraw/zinc/04/57/08/974045708.db2.gz BKIFEKNTQHTBIL-GOSISDBHSA-N -1 0 336.391 3.874 20 0 EHADRM Cc1ccc(CN[C@@H](C(=O)[O-])c2cccs2)c(Br)c1 ZINC000426797898 974048729 /nfs/dbraw/zinc/04/87/29/974048729.db2.gz HKXPCEQIPXRPDW-CYBMUJFWSA-N -1 0 340.242 3.735 20 0 EHADRM O=C([O-])c1cccnc1NC(=O)/C=C/c1ccc(F)c2ccccc12 ZINC001605668057 974068703 /nfs/dbraw/zinc/06/87/03/974068703.db2.gz MKZVDHWMCJZRFX-CSKARUKUSA-N -1 0 336.322 3.724 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)NCc3cccc(C(=O)[O-])c3)s2)o1 ZINC000431649659 974070239 /nfs/dbraw/zinc/07/02/39/974070239.db2.gz XEOAJWAZAXTUNO-UHFFFAOYSA-N -1 0 341.388 3.945 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N(C)C3(C(=O)[O-])CCCCC3)cc2c1C ZINC000431981648 974079857 /nfs/dbraw/zinc/07/98/57/974079857.db2.gz OKMPVIDXPTVBKB-UHFFFAOYSA-N -1 0 328.412 3.644 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC000431986538 974081103 /nfs/dbraw/zinc/08/11/03/974081103.db2.gz MXKRLNINMFXGPU-HNNXBMFYSA-N -1 0 347.455 3.510 20 0 EHADRM CN(C(=O)c1ccc(Oc2ccccc2)o1)C1(C(=O)[O-])CCCCC1 ZINC000431992979 974082143 /nfs/dbraw/zinc/08/21/43/974082143.db2.gz QLXKACVLVGTOLB-UHFFFAOYSA-N -1 0 343.379 3.931 20 0 EHADRM O=C([O-])c1cccc(CC(=O)Nc2ccc(Oc3ccncc3)cc2)c1 ZINC000432094058 974085235 /nfs/dbraw/zinc/08/52/35/974085235.db2.gz FSRXFADBERHQSB-UHFFFAOYSA-N -1 0 348.358 3.753 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)Nc2ccc(C(=O)[O-])cn2)c1 ZINC001604856930 974099606 /nfs/dbraw/zinc/09/96/06/974099606.db2.gz KGTAGBXYUHUOLQ-CYBMUJFWSA-N -1 0 342.395 3.701 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)Cc1ccccc1C(=O)[O-] ZINC000439692213 974107008 /nfs/dbraw/zinc/10/70/08/974107008.db2.gz CXUWEFGJNOOZJJ-CYBMUJFWSA-N -1 0 337.375 3.859 20 0 EHADRM COc1cccc(C(F)F)c1C(=O)Nc1ccccc1CC(=O)[O-] ZINC001604863464 974109308 /nfs/dbraw/zinc/10/93/08/974109308.db2.gz GUZFRAHUVYLAPB-UHFFFAOYSA-N -1 0 335.306 3.512 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])Cc1nc(-c2c(F)cccc2F)cs1 ZINC000455649351 974149728 /nfs/dbraw/zinc/14/97/28/974149728.db2.gz XYGFWSFIKNMOHR-SNVBAGLBSA-N -1 0 340.395 3.773 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000455862081 974154699 /nfs/dbraw/zinc/15/46/99/974154699.db2.gz JFDIUYIJTLDUBZ-AWEZNQCLSA-N -1 0 347.798 3.846 20 0 EHADRM Cc1cccc(C(=O)N[C@@H](C)[C@H](Cc2ccccc2)C(=O)[O-])c1Cl ZINC000455907038 974165420 /nfs/dbraw/zinc/16/54/20/974165420.db2.gz ACZRGJYZRUCNDT-BBRMVZONSA-N -1 0 345.826 3.710 20 0 EHADRM Cc1c(Cl)cccc1C(=O)N[C@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000455939507 974174741 /nfs/dbraw/zinc/17/47/41/974174741.db2.gz ZCRMZDVFUXBOHW-CZUORRHYSA-N -1 0 345.826 3.710 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000472015948 974199083 /nfs/dbraw/zinc/19/90/83/974199083.db2.gz HODKAZTVLSWYOJ-UHFFFAOYSA-N -1 0 347.754 3.636 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000472009905 974199629 /nfs/dbraw/zinc/19/96/29/974199629.db2.gz CCZFIZCKYCMROC-UHFFFAOYSA-N -1 0 340.354 3.803 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CCc3c2cccc3Cl)c(F)c1 ZINC000478836960 974209504 /nfs/dbraw/zinc/20/95/04/974209504.db2.gz JCPBTYFRIVCGGG-OAHLLOKOSA-N -1 0 333.746 3.595 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)/C=C/c1ccsc1)C(=O)[O-] ZINC000492115068 974257536 /nfs/dbraw/zinc/25/75/36/974257536.db2.gz DBASZVPWRRFDHS-HSBSLETESA-N -1 0 329.421 3.511 20 0 EHADRM CC(C)(C)c1ccc(CCNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000498662099 974265528 /nfs/dbraw/zinc/26/55/28/974265528.db2.gz XUYNFGLLBQKHNX-JKSUJKDBSA-N -1 0 331.456 3.534 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)cc1 ZINC000500654702 974267646 /nfs/dbraw/zinc/26/76/46/974267646.db2.gz SSDSVNZSOBADJQ-UHFFFAOYSA-N -1 0 338.388 3.690 20 0 EHADRM CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)C[C@@H](C)CC(=O)[O-] ZINC000516784924 974309762 /nfs/dbraw/zinc/30/97/62/974309762.db2.gz RUUFMZZKFBDYOR-SJKOYZFVSA-N -1 0 325.836 3.996 20 0 EHADRM O=C([O-])c1ccc(CNCc2cc3cc(F)ccc3o2)nc1C1CC1 ZINC000519590676 974330940 /nfs/dbraw/zinc/33/09/40/974330940.db2.gz MIGXVLQTZMFKAE-UHFFFAOYSA-N -1 0 340.354 3.832 20 0 EHADRM COc1cc(F)c(CNc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1OC ZINC000519782171 974336270 /nfs/dbraw/zinc/33/62/70/974336270.db2.gz ZCRLMUQSQFDXIM-LBPRGKRZSA-N -1 0 347.386 3.718 20 0 EHADRM CC(=O)c1cccc(CN(CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC000521448118 974344691 /nfs/dbraw/zinc/34/46/91/974344691.db2.gz BDGCZWWUKWWXBA-UHFFFAOYSA-N -1 0 347.361 3.644 20 0 EHADRM CCC[C@@H](C(=O)N1CCc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000538579432 974392067 /nfs/dbraw/zinc/39/20/67/974392067.db2.gz ZEEYGCFDLRCURF-LJQANCHMSA-N -1 0 337.419 3.853 20 0 EHADRM O=C([O-])CC1(CNC(=O)C/C=C\c2ccc(F)cc2)CCCCC1 ZINC000538577637 974392074 /nfs/dbraw/zinc/39/20/74/974392074.db2.gz WNANHFVHUMRXDU-PLNGDYQASA-N -1 0 333.403 3.770 20 0 EHADRM CC(C)(C(=O)NCC1(CC(=O)[O-])CCCCC1)c1ccccc1F ZINC000539676728 974399047 /nfs/dbraw/zinc/39/90/47/974399047.db2.gz XSRLNUSCGFWENY-UHFFFAOYSA-N -1 0 335.419 3.645 20 0 EHADRM C[C@@H](C(=O)N1CCC(CCC(=O)[O-])CC1)c1cc2ccccc2o1 ZINC000540783726 974409256 /nfs/dbraw/zinc/40/92/56/974409256.db2.gz BJUMWFQQARBTBK-CYBMUJFWSA-N -1 0 329.396 3.640 20 0 EHADRM CC[C@@H]1CC[C@@H](C)N(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)C1 ZINC001603918767 974414957 /nfs/dbraw/zinc/41/49/57/974414957.db2.gz MNNYKSZGIRZYDR-BQGCOEIASA-N -1 0 330.428 3.520 20 0 EHADRM Cc1cc(Br)oc1C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000544407277 974421033 /nfs/dbraw/zinc/42/10/33/974421033.db2.gz XICXSEZUPJFKMI-UHFFFAOYSA-N -1 0 338.157 3.609 20 0 EHADRM CCc1ccc(CN(CC(C)C)C(=O)c2ccc(C(=O)[O-])cn2)cc1 ZINC001603974762 974459482 /nfs/dbraw/zinc/45/94/82/974459482.db2.gz BYUOKMYQYPGSPY-UHFFFAOYSA-N -1 0 340.423 3.641 20 0 EHADRM O=C([O-])c1ccc(CCNc2ncnc3sc4c(c32)CCC4)cc1 ZINC000551996532 974479334 /nfs/dbraw/zinc/47/93/34/974479334.db2.gz FWZDGPLGHCVZKN-UHFFFAOYSA-N -1 0 339.420 3.533 20 0 EHADRM Cc1ccc2c(C)cc(N3CC[C@](C(=O)[O-])(C(F)(F)F)C3)nc2c1 ZINC000563213864 974521880 /nfs/dbraw/zinc/52/18/80/974521880.db2.gz MYHAAFSXYJOTBN-INIZCTEOSA-N -1 0 338.329 3.695 20 0 EHADRM O=C([O-])c1cccc(NC(=O)CCOc2ccc(F)c(Cl)c2)c1 ZINC000564067950 974543841 /nfs/dbraw/zinc/54/38/41/974543841.db2.gz SEHURPQMHOOGTJ-UHFFFAOYSA-N -1 0 337.734 3.585 20 0 EHADRM CCCCOc1ccc([C@H](C)Nc2ncc(C(=O)[O-])cn2)cc1OC ZINC000565039372 974564939 /nfs/dbraw/zinc/56/49/39/974564939.db2.gz ZFSFFBLBFRJLEH-LBPRGKRZSA-N -1 0 345.399 3.535 20 0 EHADRM O=C([O-])[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21)CC1CC1 ZINC000565086974 974567064 /nfs/dbraw/zinc/56/70/64/974567064.db2.gz FKSVOIYUDYWVLV-KFKAGJAMSA-N -1 0 337.419 3.560 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(F)c(CO)c2)cc1C(F)(F)F ZINC001211487782 1014213782 /nfs/dbraw/zinc/21/37/82/1014213782.db2.gz OQYGNJYFYHCRSV-UHFFFAOYSA-N -1 0 329.249 3.779 20 0 EHADRM COc1cc2c(cc1Cl)CN([C@@H](C)c1ccc(C(=O)[O-])o1)CC2 ZINC000568902415 974680930 /nfs/dbraw/zinc/68/09/30/974680930.db2.gz JJYQDZJGHCHASB-JTQLQIEISA-N -1 0 335.787 3.759 20 0 EHADRM CN(CCc1ccccc1C(=O)[O-])Cc1nc(C(F)(F)F)cs1 ZINC000569371279 974689730 /nfs/dbraw/zinc/68/97/30/974689730.db2.gz YGYZACIIGYMSQV-UHFFFAOYSA-N -1 0 344.358 3.535 20 0 EHADRM CCCC[C@H](Sc1cc(COC)nc(C(C)(C)C)n1)C(=O)[O-] ZINC000570529152 974713641 /nfs/dbraw/zinc/71/36/41/974713641.db2.gz KMTRIRYOQCBRAB-LBPRGKRZSA-N -1 0 326.462 3.656 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)NCc1ccccc1Sc1ccccc1 ZINC000571701263 974734539 /nfs/dbraw/zinc/73/45/39/974734539.db2.gz ICEAEWKLKWLVQZ-CQSZACIVSA-N -1 0 343.448 3.955 20 0 EHADRM O=C([O-])c1cccc(Cl)c1CN1CCO[C@H](c2cccc(F)c2)C1 ZINC000572295854 974745255 /nfs/dbraw/zinc/74/52/55/974745255.db2.gz CEMYMHCVJSQVDG-KRWDZBQOSA-N -1 0 349.789 3.751 20 0 EHADRM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000573534498 974767307 /nfs/dbraw/zinc/76/73/07/974767307.db2.gz QGCTYOSJZGLQPC-YSSFQJQWSA-N -1 0 347.414 3.583 20 0 EHADRM Cc1oc(-c2ccsc2)nc1CN(C1CC1)C1(C(=O)[O-])CCC1 ZINC000577628072 974839294 /nfs/dbraw/zinc/83/92/94/974839294.db2.gz QEXSMEQPTGYDPG-UHFFFAOYSA-N -1 0 332.425 3.683 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(Oc2ccccc2)o1 ZINC000577887963 974844455 /nfs/dbraw/zinc/84/44/55/974844455.db2.gz COAJHUNIFKVCJL-AWEZNQCLSA-N -1 0 331.368 3.643 20 0 EHADRM Cc1ccc(Nc2ccccc2C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)cc1 ZINC000578719542 974860506 /nfs/dbraw/zinc/86/05/06/974860506.db2.gz PIIKYRHFDKTXKR-ZBFHGGJFSA-N -1 0 338.407 3.674 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cc(C3CC3)nc3ccc(Cl)cc32)CC1 ZINC000579483306 974877154 /nfs/dbraw/zinc/87/71/54/974877154.db2.gz LRODGNFIGOQBNZ-UHFFFAOYSA-N -1 0 344.798 3.503 20 0 EHADRM CCc1c(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cnn1C(C)(C)C ZINC000618074482 975024338 /nfs/dbraw/zinc/02/43/38/975024338.db2.gz HULUYDXPLJDUPM-UHFFFAOYSA-N -1 0 349.818 3.804 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)N2CCc3c(cccc3C(=O)[O-])C2)C1(C)C ZINC000621579164 975039836 /nfs/dbraw/zinc/03/98/36/975039836.db2.gz YRTZZCKZJPZWPB-IAGOWNOFSA-N -1 0 327.424 3.508 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)CCc1ccc(F)cc1 ZINC000621586913 975043776 /nfs/dbraw/zinc/04/37/76/975043776.db2.gz QEWVBBUQPUOQQV-ROUUACIJSA-N -1 0 341.382 3.575 20 0 EHADRM C[C@@H]1CCc2c(sc3ncnc(N4CCC(CC(=O)[O-])CC4)c32)C1 ZINC000621620533 975063890 /nfs/dbraw/zinc/06/38/90/975063890.db2.gz YEEYNKQNHZXERQ-LLVKDONJSA-N -1 0 345.468 3.507 20 0 EHADRM Cc1cccc([C@H](NC(=O)N2CCC(CCC(=O)[O-])CC2)C(C)C)c1 ZINC000626777127 975071240 /nfs/dbraw/zinc/07/12/40/975071240.db2.gz JRFSFQUALPECFN-LJQANCHMSA-N -1 0 346.471 3.979 20 0 EHADRM O=C([O-])[C@H]1CCCN1Cc1coc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000629358684 975082155 /nfs/dbraw/zinc/08/21/55/975082155.db2.gz JXKPZQCSMQYTRM-CYBMUJFWSA-N -1 0 341.194 3.697 20 0 EHADRM CC[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)cc1 ZINC000630098276 975100000 /nfs/dbraw/zinc/10/00/00/975100000.db2.gz QLYDCSIKNSOGJS-XYPHTWIQSA-N -1 0 333.428 3.544 20 0 EHADRM CCCc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)s1 ZINC000630099112 975100712 /nfs/dbraw/zinc/10/07/12/975100712.db2.gz YDQRRPSSZHHISH-AWEZNQCLSA-N -1 0 335.400 3.786 20 0 EHADRM Cc1ccccc1C[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000630100933 975101287 /nfs/dbraw/zinc/10/12/87/975101287.db2.gz IAXLWORETODREL-UKRRQHHQSA-N -1 0 331.437 3.567 20 0 EHADRM Cc1cc(C(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)oc1C(=O)[O-] ZINC000630122552 975110764 /nfs/dbraw/zinc/11/07/64/975110764.db2.gz ROXGMYPATUIMQK-HIFRSBDPSA-N -1 0 327.380 3.552 20 0 EHADRM Cc1ccccc1C[C@H](C)C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000630127209 975112892 /nfs/dbraw/zinc/11/28/92/975112892.db2.gz PXKGVODLMPWGQS-QFBILLFUSA-N -1 0 339.435 3.896 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@H]2[C@@H]3c4ccc(Cl)cc4C[C@H]23)CCCCC1 ZINC000630132549 975117096 /nfs/dbraw/zinc/11/70/96/975117096.db2.gz SHVWMADHLLCQRC-USXIJHARSA-N -1 0 347.842 3.520 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)[C@H]1CCCC12CC2 ZINC000630137614 975122120 /nfs/dbraw/zinc/12/21/20/975122120.db2.gz SPIFEYJOXVSQPY-CYBMUJFWSA-N -1 0 329.421 3.796 20 0 EHADRM CCC[C@H](C(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccccn1 ZINC000630143782 975127042 /nfs/dbraw/zinc/12/70/42/975127042.db2.gz USHJJDNECMJGDF-INIZCTEOSA-N -1 0 326.396 3.621 20 0 EHADRM CCC[C@@H](C(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccccn1 ZINC000630143787 975127056 /nfs/dbraw/zinc/12/70/56/975127056.db2.gz USHJJDNECMJGDF-MRXNPFEDSA-N -1 0 326.396 3.621 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cc2ccc(OC)cc2s1 ZINC000630148403 975129413 /nfs/dbraw/zinc/12/94/13/975129413.db2.gz OJHMQVQYZDBYOT-UHFFFAOYSA-N -1 0 335.425 3.673 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)c1ccco1 ZINC000630148461 975130197 /nfs/dbraw/zinc/13/01/97/975130197.db2.gz OAHKSTRWTXYAHN-JTQLQIEISA-N -1 0 337.759 3.529 20 0 EHADRM Cc1cc(C(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2F)oc1C(=O)[O-] ZINC000630170059 975141069 /nfs/dbraw/zinc/14/10/69/975141069.db2.gz IDWXTCNVTPWMON-IINYFYTJSA-N -1 0 331.343 3.649 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000630185302 975146832 /nfs/dbraw/zinc/14/68/32/975146832.db2.gz ZLZBJODJUNGLAJ-HUUCEWRRSA-N -1 0 343.354 3.665 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc3c(ccc4ccccc34)o2)[C@H](C(=O)[O-])C1 ZINC000630187075 975147555 /nfs/dbraw/zinc/14/75/55/975147555.db2.gz HYXCMUZJPMEZIX-LRDDRELGSA-N -1 0 337.375 3.911 20 0 EHADRM Cc1ccc(CO[C@H](C)C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cc1 ZINC000630194780 975152497 /nfs/dbraw/zinc/15/24/97/975152497.db2.gz VEKMRCFTUVWORQ-HUUCEWRRSA-N -1 0 341.407 3.727 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)C2(c3cccnc3)CCCC2)cc1 ZINC000630194603 975152673 /nfs/dbraw/zinc/15/26/73/975152673.db2.gz PYTQKCLLDJWEET-AWEZNQCLSA-N -1 0 338.407 3.720 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1C(=O)N[C@](C)(CCF)C(=O)[O-] ZINC000630212166 975162276 /nfs/dbraw/zinc/16/22/76/975162276.db2.gz XFMNCSJUNYHQBR-LJQANCHMSA-N -1 0 345.370 3.720 20 0 EHADRM CC[C@@H](C)[C@H](C(=O)NCc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC000630234447 975181184 /nfs/dbraw/zinc/18/11/84/975181184.db2.gz MHEYSSMPMOVHHH-QRWLVFNGSA-N -1 0 339.435 3.760 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1C(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000630242086 975187840 /nfs/dbraw/zinc/18/78/40/975187840.db2.gz PWAREAHRZCQTGF-OLZOCXBDSA-N -1 0 333.403 3.625 20 0 EHADRM CCCC(CCC)C(=O)N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000630245493 975191983 /nfs/dbraw/zinc/19/19/83/975191983.db2.gz JOJZFFBTRUVGBT-UHFFFAOYSA-N -1 0 338.473 3.764 20 0 EHADRM CC1(C)[C@@H](c2ccc(F)cc2)CCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000630266858 975210604 /nfs/dbraw/zinc/21/06/04/975210604.db2.gz CXAHFGXOVNUERD-QGZVFWFLSA-N -1 0 341.382 3.932 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CC[C@H](c2cccc(F)c2)C1(C)C ZINC000630275638 975220438 /nfs/dbraw/zinc/22/04/38/975220438.db2.gz QYKIWSKSAUNRBO-OAHLLOKOSA-N -1 0 335.419 3.811 20 0 EHADRM Cc1ccc([C@@H]2C[C@H]2C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)cc1C ZINC000630285105 975229764 /nfs/dbraw/zinc/22/97/64/975229764.db2.gz PXSFAUJKGLXBIR-ICBNADEASA-N -1 0 341.451 3.509 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc(CC(F)(F)F)c2)CC2(CCC2)C1 ZINC000630293976 975234564 /nfs/dbraw/zinc/23/45/64/975234564.db2.gz GGSULQGZUWHWRM-UHFFFAOYSA-N -1 0 341.329 3.765 20 0 EHADRM C[C@@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)CCCCC(=O)[O-] ZINC000630298724 975237965 /nfs/dbraw/zinc/23/79/65/975237965.db2.gz IPSVZYVJBUJJHG-LBPRGKRZSA-N -1 0 345.361 3.740 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000630300808 975239824 /nfs/dbraw/zinc/23/98/24/975239824.db2.gz BHZPTBJENMYKLW-XHDPSFHLSA-N -1 0 325.355 3.519 20 0 EHADRM CCCOc1ccc(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)cc1F ZINC000630302475 975240338 /nfs/dbraw/zinc/24/03/38/975240338.db2.gz CYYZGDGNAUDDCI-UHFFFAOYSA-N -1 0 335.375 3.588 20 0 EHADRM Cc1cc(C(=O)N[C@@H]2CCCc3ccc(Cl)cc32)oc1C(=O)[O-] ZINC000630305270 975241553 /nfs/dbraw/zinc/24/15/53/975241553.db2.gz OSZBOMKFMGMTCI-CYBMUJFWSA-N -1 0 333.771 3.747 20 0 EHADRM CSc1ccc(CCCC(=O)NCc2cc(C)c(C(=O)[O-])o2)cc1 ZINC000630329658 975257624 /nfs/dbraw/zinc/25/76/24/975257624.db2.gz GXOWXHOOCRNPLT-UHFFFAOYSA-N -1 0 347.436 3.647 20 0 EHADRM Cc1cc(CNC(=O)c2oc3c(c2C)c(C)ccc3C)oc1C(=O)[O-] ZINC000630329951 975258197 /nfs/dbraw/zinc/25/81/97/975258197.db2.gz UDVJXIKHFYNCIT-UHFFFAOYSA-N -1 0 341.363 3.888 20 0 EHADRM Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c1 ZINC000630331382 975259545 /nfs/dbraw/zinc/25/95/45/975259545.db2.gz XYJUMLBMGDCHJG-INDMIFKZSA-N -1 0 335.403 3.925 20 0 EHADRM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)C[C@@H](C)C1CCCCC1 ZINC000630332824 975261263 /nfs/dbraw/zinc/26/12/63/975261263.db2.gz MGMQKDHXFSHEHA-GFCCVEGCSA-N -1 0 335.448 3.520 20 0 EHADRM CC(C)Sc1ccccc1NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000630562754 975267907 /nfs/dbraw/zinc/26/79/07/975267907.db2.gz AVOZKRAGPXEMTM-QWHCGFSZSA-N -1 0 336.457 3.762 20 0 EHADRM C[C@@H](NC(=O)C[C@H](C)CC(=O)[O-])[C@@H](C)c1ccccc1C(F)(F)F ZINC000634828344 975277565 /nfs/dbraw/zinc/27/75/65/975277565.db2.gz UCWYAEZVVMNYTN-QJPTWQEYSA-N -1 0 345.361 3.815 20 0 EHADRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000460832394 1032086075 /nfs/dbraw/zinc/08/60/75/1032086075.db2.gz YKSCZPBHFZDIHP-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM COCc1cc(NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)cc(C(=O)[O-])c1 ZINC000644631774 975327188 /nfs/dbraw/zinc/32/71/88/975327188.db2.gz RSFQMSFAXPBYNO-CVEARBPZSA-N -1 0 331.412 3.708 20 0 EHADRM Cc1cccc(NC2CCN(c3ncc(C(=O)[O-])cc3Cl)CC2)c1 ZINC000647450126 975362025 /nfs/dbraw/zinc/36/20/25/975362025.db2.gz BINUIUFIKVYZGH-UHFFFAOYSA-N -1 0 345.830 3.823 20 0 EHADRM Cc1cccc2nc(C3CCN(c4ccc(C(=O)[O-])cn4)CC3)oc21 ZINC000647453505 975364081 /nfs/dbraw/zinc/36/40/81/975364081.db2.gz JWQSBHDHJPAANE-UHFFFAOYSA-N -1 0 337.379 3.613 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCCC[C@H]1C1CC1)c1ccc(OCC(=O)[O-])cc1 ZINC000649251149 975389201 /nfs/dbraw/zinc/38/92/01/975389201.db2.gz MEESLKPZJZNNGR-KKXDTOCCSA-N -1 0 345.439 3.544 20 0 EHADRM Cc1ccc(CCCC(=O)N2CCc3cccc(C(=O)[O-])c3C2)cc1 ZINC000649257404 975396154 /nfs/dbraw/zinc/39/61/54/975396154.db2.gz IPQSFNXYCQBQMN-UHFFFAOYSA-N -1 0 337.419 3.601 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC000649258159 975399334 /nfs/dbraw/zinc/39/93/34/975399334.db2.gz JSQQDCJHPMZVFG-HNNXBMFYSA-N -1 0 337.419 3.772 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N(Cc2ccccc2)C(C)C)c(C)c1 ZINC000107970945 1014258656 /nfs/dbraw/zinc/25/86/56/1014258656.db2.gz OJWUDOUWUXZPEB-XMMPIXPASA-N -1 0 343.492 3.848 20 0 EHADRM CC(C)Nc1cc(F)ccc1NC(=O)c1cccc(CC(=O)[O-])c1 ZINC001591667999 975422544 /nfs/dbraw/zinc/42/25/44/975422544.db2.gz LWEXJTDMCAJMQX-UHFFFAOYSA-N -1 0 330.359 3.525 20 0 EHADRM CC(C)O[C@@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccccc1 ZINC001591685999 975488338 /nfs/dbraw/zinc/48/83/38/975488338.db2.gz FHGORTMGGAVNDT-MRXNPFEDSA-N -1 0 331.343 3.629 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCCC[C@@H]2Cc2ccccc2F)C1 ZINC000652121752 975508681 /nfs/dbraw/zinc/50/86/81/975508681.db2.gz UROOYKYYYUNERQ-BRWVUGGUSA-N -1 0 347.430 3.640 20 0 EHADRM CC(C)OC1(CNC(=O)CC2(CC(=O)[O-])CCCC2)CCCCC1 ZINC001591693285 975509646 /nfs/dbraw/zinc/50/96/46/975509646.db2.gz RUXDBCHHOJMYSS-UHFFFAOYSA-N -1 0 339.476 3.656 20 0 EHADRM CC(C)c1ccsc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653335568 975592648 /nfs/dbraw/zinc/59/26/48/975592648.db2.gz RSNLZSLEJHWQBE-CABCVRRESA-N -1 0 329.421 3.915 20 0 EHADRM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2cccc(CC(=O)[O-])c2)o1 ZINC000653641685 975609189 /nfs/dbraw/zinc/60/91/89/975609189.db2.gz RROAWDBZCHFUIM-CXAGYDPISA-N -1 0 341.407 3.829 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000653644299 975612671 /nfs/dbraw/zinc/61/26/71/975612671.db2.gz DDUYCMHYNVKNKW-QAPCUYQASA-N -1 0 341.382 3.519 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CCCc1c(F)cccc1F ZINC000656234397 975649250 /nfs/dbraw/zinc/64/92/50/975649250.db2.gz GVLDDRHWERZMNM-UHFFFAOYSA-N -1 0 347.361 3.644 20 0 EHADRM C[C@@H]1CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C[C@H](C)O1 ZINC000656765422 975697196 /nfs/dbraw/zinc/69/71/96/975697196.db2.gz LULOIEPSDGDDJY-OLZOCXBDSA-N -1 0 346.452 3.508 20 0 EHADRM CC1(C)CO[C@H](c2cccc(F)c2)CN1Cc1cccc(C(=O)[O-])c1 ZINC000656765439 975697230 /nfs/dbraw/zinc/69/72/30/975697230.db2.gz MAURUVAFGKJEEP-SFHVURJKSA-N -1 0 343.398 3.876 20 0 EHADRM Cc1cnc(-c2cccc(NC(=O)C3(C(=O)[O-])CC4(CCC4)C3)c2)o1 ZINC000659121693 975720221 /nfs/dbraw/zinc/72/02/21/975720221.db2.gz JPXMZPOXBLXIFE-UHFFFAOYSA-N -1 0 340.379 3.624 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000659126735 975725796 /nfs/dbraw/zinc/72/57/96/975725796.db2.gz OHBUNBRBNPMZTL-GOSISDBHSA-N -1 0 345.826 3.795 20 0 EHADRM CC(C)OCc1cccc(N[C@H](Cc2ccc(F)cc2)C(=O)[O-])c1 ZINC001591735871 975728967 /nfs/dbraw/zinc/72/89/67/975728967.db2.gz XNLFJXGHFQMMSG-GOSISDBHSA-N -1 0 331.387 3.859 20 0 EHADRM Cc1ccc([C@@H]2C[C@H]2C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1C ZINC000659130282 975729147 /nfs/dbraw/zinc/72/91/47/975729147.db2.gz HIVDEKYLULTRQC-RBUKOAKNSA-N -1 0 337.419 3.764 20 0 EHADRM Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1C ZINC000659141452 975741782 /nfs/dbraw/zinc/74/17/82/975741782.db2.gz AUPBFXHWSVXCIK-BPQIPLTHSA-N -1 0 329.440 3.510 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000659145466 975745435 /nfs/dbraw/zinc/74/54/35/975745435.db2.gz LUNIGDNAZPUQSO-MEBBXXQBSA-N -1 0 331.343 3.649 20 0 EHADRM CC(C)Oc1c(NC(=O)/C=C\c2ccc(O)cc2)cccc1C(=O)[O-] ZINC001591741331 975751943 /nfs/dbraw/zinc/75/19/43/975751943.db2.gz GDCCWIOITSSUNC-FLIBITNWSA-N -1 0 341.363 3.530 20 0 EHADRM CC[C@@](CNC(=O)c1ccc(C2CC2)cc1)(C(=O)[O-])c1ccccc1 ZINC000659158415 975756713 /nfs/dbraw/zinc/75/67/13/975756713.db2.gz ASSQDPKPKLRTCY-NRFANRHFSA-N -1 0 337.419 3.726 20 0 EHADRM CC(C)Oc1c(NC(=O)[C@H]2CC3CCC2CC3)cccc1C(=O)[O-] ZINC001591742365 975760414 /nfs/dbraw/zinc/76/04/14/975760414.db2.gz XXFBHAAICQILIG-PIMMBPRGSA-N -1 0 331.412 3.937 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2)C1 ZINC000659166956 975765887 /nfs/dbraw/zinc/76/58/87/975765887.db2.gz XSRVMIOZZPJVAH-QWRGUYRKSA-N -1 0 330.211 3.501 20 0 EHADRM CC(C)Oc1c(NC(=O)N2CC=CC23CCCC3)cccc1C(=O)[O-] ZINC001591744084 975766745 /nfs/dbraw/zinc/76/67/45/975766745.db2.gz JAYPHAZXHUDUOW-UHFFFAOYSA-N -1 0 344.411 3.889 20 0 EHADRM CCCC[C@@H](CC)CC(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC000659168019 975767374 /nfs/dbraw/zinc/76/73/74/975767374.db2.gz JPEPDSCRZSTZIW-UPJWGTAASA-N -1 0 337.382 3.705 20 0 EHADRM O=C([O-])c1ccc2c(c1)[C@H](CNC(=O)[C@H]1CC13CCCC3)CCC2 ZINC000659184063 975779800 /nfs/dbraw/zinc/77/98/00/975779800.db2.gz IDNJLYQKOGINDH-DOTOQJQBSA-N -1 0 327.424 3.501 20 0 EHADRM Cc1cccc([C@H](C)C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)c1 ZINC000659194805 975796862 /nfs/dbraw/zinc/79/68/62/975796862.db2.gz NFLSUPAIYVZXSL-LEUOFYLZSA-N -1 0 329.440 3.590 20 0 EHADRM CC(C)c1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)cc1 ZINC000659196043 975799946 /nfs/dbraw/zinc/79/99/46/975799946.db2.gz SGAUMZFECJQZBZ-SQNIBIBYSA-N -1 0 329.440 3.916 20 0 EHADRM O=C([O-])c1occc1CNC(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000659199727 975807437 /nfs/dbraw/zinc/80/74/37/975807437.db2.gz RKNVVQBQGUYVOS-UHFFFAOYSA-N -1 0 347.798 3.759 20 0 EHADRM CN(C[C@H]1CCc2ccccc21)C(=O)CCc1ccccc1C(=O)[O-] ZINC000659232582 975842113 /nfs/dbraw/zinc/84/21/13/975842113.db2.gz BXGQAMLPHLHKSE-QGZVFWFLSA-N -1 0 337.419 3.506 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N[C@]12C[C@H]1CCCC2 ZINC001591767081 975875350 /nfs/dbraw/zinc/87/53/50/975875350.db2.gz GIEBCWYDIHAPBA-FZKQIMNGSA-N -1 0 332.400 3.626 20 0 EHADRM Cc1cc(C(F)(F)F)cc(N2Cc3ccccc3[C@@H](C(=O)[O-])C2)n1 ZINC000662889473 975911988 /nfs/dbraw/zinc/91/19/88/975911988.db2.gz MRXDXCTUFFRKIX-AWEZNQCLSA-N -1 0 336.313 3.597 20 0 EHADRM CC(C)Oc1ccc(F)cc1NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001591777901 975933906 /nfs/dbraw/zinc/93/39/06/975933906.db2.gz AOGGUGZXHMELSA-YVMONPNESA-N -1 0 333.315 3.556 20 0 EHADRM CC(C)Oc1ccc(NC(=O)c2cc3ccccc3[nH]2)c(C(=O)[O-])c1 ZINC001591787948 975966270 /nfs/dbraw/zinc/96/62/70/975966270.db2.gz IFAFIESQENKKQA-UHFFFAOYSA-N -1 0 338.363 3.906 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)c(C(=O)[O-])c1 ZINC001591787962 975966297 /nfs/dbraw/zinc/96/62/97/975966297.db2.gz ILBUISTUJDTCEQ-JKSUJKDBSA-N -1 0 339.391 3.914 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cccc([C@H]2CCCOC2)c1 ZINC000668273048 975979363 /nfs/dbraw/zinc/97/93/63/975979363.db2.gz RHOYWMWYCJTXEG-KRWDZBQOSA-N -1 0 339.391 3.840 20 0 EHADRM COCc1cc(NC(=O)Cc2cccc(C3CC3)c2)cc(C(=O)[O-])c1 ZINC000668284927 975985782 /nfs/dbraw/zinc/98/57/82/975985782.db2.gz ABBWEOYNPHOAIO-UHFFFAOYSA-N -1 0 339.391 3.590 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)cc(C)c1OCC(=O)[O-] ZINC000668297585 975990233 /nfs/dbraw/zinc/99/02/33/975990233.db2.gz WBYNNKFVKBBCLR-RDJZCZTQSA-N -1 0 345.439 3.562 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c1 ZINC000668323800 975998908 /nfs/dbraw/zinc/99/89/08/975998908.db2.gz BHTBMWPHBWVSAT-OKILXGFUSA-N -1 0 343.345 3.886 20 0 EHADRM CC(C)Oc1cccc(NC(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC001591796724 976010954 /nfs/dbraw/zinc/01/09/54/976010954.db2.gz QKMVRVZORYPMCN-UHFFFAOYSA-N -1 0 327.380 3.743 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)C[C@@H]2CCC[C@H](C)C2)cc1 ZINC000675947887 976019104 /nfs/dbraw/zinc/01/91/04/976019104.db2.gz KRMLJFIBWBTQNM-VBQJREDUSA-N -1 0 333.428 3.544 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)NCCc1ccccc1C(=O)[O-] ZINC001591804351 976028439 /nfs/dbraw/zinc/02/84/39/976028439.db2.gz BWNAVVXKVGGEMG-UHFFFAOYSA-N -1 0 342.395 3.536 20 0 EHADRM CC[C@H](CC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC000679102073 976043263 /nfs/dbraw/zinc/04/32/63/976043263.db2.gz TXLKPMXKPHFFKF-WBVHZDCISA-N -1 0 331.456 3.920 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000679396758 976049875 /nfs/dbraw/zinc/04/98/75/976049875.db2.gz MYVZVIGHHHTFTE-LBPRGKRZSA-N -1 0 335.400 3.818 20 0 EHADRM Cc1ccc(-c2nc(C(=O)Nc3ccccc3C(=O)[O-])cs2)o1 ZINC000681682678 976072494 /nfs/dbraw/zinc/07/24/94/976072494.db2.gz ZKXHYBBDTMCIEE-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM CC(C)Sc1ccccc1C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001591829045 976089278 /nfs/dbraw/zinc/08/92/78/976089278.db2.gz AQPHILAMZBSPGW-UGSOOPFHSA-N -1 0 333.453 3.514 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)Nc2cccc(CC(=O)[O-])n2)cc1 ZINC001591948559 976501051 /nfs/dbraw/zinc/50/10/51/976501051.db2.gz JDOYZAWNNZUTQW-CQSZACIVSA-N -1 0 340.423 3.964 20 0 EHADRM CC(C)c1ccc(NC(=O)[C@H](O)c2ccccc2Cl)c(C(=O)[O-])c1 ZINC001591965683 976558374 /nfs/dbraw/zinc/55/83/74/976558374.db2.gz NUFBLSRJZWWCMW-MRXNPFEDSA-N -1 0 347.798 3.834 20 0 EHADRM CC(C)c1ccc(NC(=O)c2scc3c2OCCO3)c(C(=O)[O-])c1 ZINC001591969216 976569443 /nfs/dbraw/zinc/56/94/43/976569443.db2.gz ZBPMRWHWDPSYPA-UHFFFAOYSA-N -1 0 347.392 3.593 20 0 EHADRM CC(C)c1ccc(SCC(=O)N2CCC[C@@](C)(C(=O)[O-])C2)cc1 ZINC001591973496 976576691 /nfs/dbraw/zinc/57/66/91/976576691.db2.gz BNAQTJGCYHUCFT-GOSISDBHSA-N -1 0 335.469 3.615 20 0 EHADRM CC(C)c1ccc2c(c1)sc(C(=O)N[C@@H](CF)C(=O)[O-])c2Cl ZINC001591973557 976577765 /nfs/dbraw/zinc/57/77/65/976577765.db2.gz FHWYDHAWDUFKEM-JTQLQIEISA-N -1 0 343.807 3.831 20 0 EHADRM CC(C)c1ccc2c(c1)CN(C(=O)[C@H]1CCCC[C@H]1C(=O)[O-])CC2 ZINC001591981647 976597752 /nfs/dbraw/zinc/59/77/52/976597752.db2.gz UVYJUGVVQXBKIA-ZWKOTPCHSA-N -1 0 329.440 3.586 20 0 EHADRM CC(C)c1nc(NC(=O)CC2(C(F)(F)F)CC2)sc1C(=O)[O-] ZINC001592023067 976723778 /nfs/dbraw/zinc/72/37/78/976723778.db2.gz YYWTWBZFYCDLHP-UHFFFAOYSA-N -1 0 336.335 3.636 20 0 EHADRM CC(C)c1ncsc1C(=O)O[C@H](C(=O)[O-])c1ccccc1Cl ZINC001592042339 976767910 /nfs/dbraw/zinc/76/79/10/976767910.db2.gz INOWOPVYXCCQHK-LBPRGKRZSA-N -1 0 339.800 3.903 20 0 EHADRM CC(C)c1nocc1C(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1 ZINC001592105320 976876544 /nfs/dbraw/zinc/87/65/44/976876544.db2.gz AUQZAMNPTPVWOP-UHFFFAOYSA-N -1 0 349.412 3.863 20 0 EHADRM CC(C)n1cc2ccc(NC(=O)CC3(CC(=O)[O-])CCCC3)cc2n1 ZINC001592130739 976960761 /nfs/dbraw/zinc/96/07/61/976960761.db2.gz HTRGUZFJLODZRR-UHFFFAOYSA-N -1 0 343.427 3.981 20 0 EHADRM C[C@H](/C=C\C(=O)[O-])NC(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl ZINC001592191832 977138320 /nfs/dbraw/zinc/13/83/20/977138320.db2.gz LAQJKPGAGLLCIY-WKLTZGDTSA-N -1 0 347.720 3.518 20 0 EHADRM C[C@H](/C=C\C(=O)[O-])NC(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC001592202731 977221764 /nfs/dbraw/zinc/22/17/64/977221764.db2.gz DNFIFJUMLVTWQW-OYVUYXNMSA-N -1 0 329.440 3.795 20 0 EHADRM C[C@@H](CC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)c1c[nH]c2ccccc21 ZINC001592236787 977446333 /nfs/dbraw/zinc/44/63/33/977446333.db2.gz UESCSAGOBLTWJC-ZLXGRDSLSA-N -1 0 340.423 3.517 20 0 EHADRM C[C@H](CC(=O)N1CCc2c1cccc2C(=O)[O-])c1cccc(F)c1 ZINC001592237351 977447275 /nfs/dbraw/zinc/44/72/75/977447275.db2.gz YCLRYMBSGFUIFG-GFCCVEGCSA-N -1 0 327.355 3.607 20 0 EHADRM C[C@H](CC(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1)c1ccncc1 ZINC001592243222 977466913 /nfs/dbraw/zinc/46/69/13/977466913.db2.gz UNOSMASCTZMKMN-QAPCUYQASA-N -1 0 346.471 3.895 20 0 EHADRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1cccc2ncccc12 ZINC000547628564 1014398177 /nfs/dbraw/zinc/39/81/77/1014398177.db2.gz NUHPUNQBTQVOBJ-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM C[C@H](CC(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1)C1CC1 ZINC001592278264 977561700 /nfs/dbraw/zinc/56/17/00/977561700.db2.gz RUVZSTMUZFCOGV-LLVKDONJSA-N -1 0 344.436 3.807 20 0 EHADRM Cc1coc2ccc(NC(=O)N(CC(=O)[O-])C3CCCCC3)cc12 ZINC000654796938 1014417580 /nfs/dbraw/zinc/41/75/80/1014417580.db2.gz DBDMGKLQQKHIPT-UHFFFAOYSA-N -1 0 330.384 3.992 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N(Cc1ccc2ccccc2c1)C1CC1 ZINC001592370444 977883235 /nfs/dbraw/zinc/88/32/35/977883235.db2.gz JJDAFLOJWRCOOH-AWEZNQCLSA-N -1 0 325.408 3.832 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccccc1NCCc1ccccc1 ZINC001592395028 977949859 /nfs/dbraw/zinc/94/98/59/977949859.db2.gz HFYYPEDZOGFWMD-OAHLLOKOSA-N -1 0 340.423 3.781 20 0 EHADRM C[C@@H](CC(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1)c1ccc(N)cc1 ZINC001592423483 978040077 /nfs/dbraw/zinc/04/00/77/978040077.db2.gz DQWSTQGWQRZUDZ-GTNSWQLSSA-N -1 0 347.798 3.785 20 0 EHADRM C[C@@H](CC(=O)[O-])c1nc(C(C)(C)c2ccc(Cl)cc2F)no1 ZINC001592424125 978044439 /nfs/dbraw/zinc/04/44/39/978044439.db2.gz MYXZAYRLRYSCSB-QMMMGPOBSA-N -1 0 326.755 3.766 20 0 EHADRM C[C@H](CC(=O)O[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1c[nH]c2ccccc21 ZINC001592429379 978054178 /nfs/dbraw/zinc/05/41/78/978054178.db2.gz KJNPQFXSOBTCPS-MGPQQGTHSA-N -1 0 329.396 3.848 20 0 EHADRM C[C@@H](CC(=O)OCc1ccccc1CC(=O)[O-])c1ccccc1F ZINC001592433906 978070407 /nfs/dbraw/zinc/07/04/07/978070407.db2.gz QEJPCGDBVMXDLJ-ZDUSSCGKSA-N -1 0 330.355 3.690 20 0 EHADRM C[C@H](CC(=O)Oc1ccc(CC(=O)[O-])cc1F)c1cccc(F)c1 ZINC001592433881 978070505 /nfs/dbraw/zinc/07/05/05/978070505.db2.gz PQTPQYVLSDKJRH-LLVKDONJSA-N -1 0 334.318 3.691 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001592454416 978164288 /nfs/dbraw/zinc/16/42/88/978164288.db2.gz WZFPRDRINWQBBC-ATWMFIQVSA-N -1 0 341.407 3.864 20 0 EHADRM C[C@@H](CCC(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1)c1ccccc1 ZINC001592469955 978216465 /nfs/dbraw/zinc/21/64/65/978216465.db2.gz CQTCRNDAJYBSGA-LBPRGKRZSA-N -1 0 337.379 3.784 20 0 EHADRM C[C@@H](CCC(C)(C)C)NC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001592477426 978242906 /nfs/dbraw/zinc/24/29/06/978242906.db2.gz IQPUPKYKJALBLO-LBPRGKRZSA-N -1 0 335.448 3.787 20 0 EHADRM C[C@@H](CCC(C)(C)C)C(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001592477599 978245473 /nfs/dbraw/zinc/24/54/73/978245473.db2.gz LSQNJSUNDVTVEW-FMHYQEOESA-N -1 0 341.517 3.694 20 0 EHADRM C[C@H](CCNC(=O)Nc1ccc(OCC(=O)[O-])cc1)CC(C)(C)C ZINC001592522178 978379132 /nfs/dbraw/zinc/37/91/32/978379132.db2.gz WIZMYPOJRJVFML-CYBMUJFWSA-N -1 0 336.432 3.734 20 0 EHADRM C[C@@H](CCSc1ccccc1)SCc1cnc(C(=O)[O-])cn1 ZINC001592537460 978412809 /nfs/dbraw/zinc/41/28/09/978412809.db2.gz NDKZMUWEWQVYEI-LBPRGKRZSA-N -1 0 334.466 3.979 20 0 EHADRM COc1ccc(OCCSc2nc3ccc(C(=O)[O-])cc3o2)cc1 ZINC000738048393 978470267 /nfs/dbraw/zinc/47/02/67/978470267.db2.gz DFDWOYDKKDMXAI-UHFFFAOYSA-N -1 0 345.376 3.706 20 0 EHADRM C[C@H](CN(Cc1ccccc1)c1ncccc1Br)C(=O)[O-] ZINC001592609793 978558125 /nfs/dbraw/zinc/55/81/25/978558125.db2.gz OFCVOZFMTCHRSF-GFCCVEGCSA-N -1 0 349.228 3.571 20 0 EHADRM CC(C)c1ccc(O[C@H](C)CNC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC001592648071 978630197 /nfs/dbraw/zinc/63/01/97/978630197.db2.gz XJDQUMZJAXKNRR-PVAVHDDUSA-N -1 0 347.455 3.585 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(Cc1ncc(-c3ccccc3F)o1)C2 ZINC000740202878 978672187 /nfs/dbraw/zinc/67/21/87/978672187.db2.gz OZGYKGRPZGJSGG-UHFFFAOYSA-N -1 0 338.338 3.695 20 0 EHADRM CCCC[C@@H](NC(=O)/C=C/c1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000753912681 978694834 /nfs/dbraw/zinc/69/48/34/978694834.db2.gz CPQFVBVIBANXPI-QFQMRYFISA-N -1 0 345.439 3.781 20 0 EHADRM Cc1cc(NC(=O)c2ccccc2OCC(C)C)ccc1C(=O)[O-] ZINC000761239610 978705900 /nfs/dbraw/zinc/70/59/00/978705900.db2.gz HNNUFDQNUYSTLJ-UHFFFAOYSA-N -1 0 327.380 3.980 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)C=C2CCC(C)(C)CC2)c1OC ZINC000761649727 978713469 /nfs/dbraw/zinc/71/34/69/978713469.db2.gz KEXNLWGYPMUPIV-UHFFFAOYSA-N -1 0 347.411 3.867 20 0 EHADRM CC1(C)CCC(=CC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)CC1 ZINC000761949689 978716266 /nfs/dbraw/zinc/71/62/66/978716266.db2.gz CAJWHIIRWKUYHO-UHFFFAOYSA-N -1 0 327.424 3.796 20 0 EHADRM Cc1nc2ccccc2cc1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000762003246 978717698 /nfs/dbraw/zinc/71/76/98/978717698.db2.gz XXJLGNLOMSNAKI-UHFFFAOYSA-N -1 0 334.375 3.813 20 0 EHADRM C/C(=C/C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000766827930 978725725 /nfs/dbraw/zinc/72/57/25/978725725.db2.gz MVEOILAZTSSHBV-MOJYJUKOSA-N -1 0 327.355 3.561 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C=C(C1CC1)C1CC1 ZINC000766942421 978730116 /nfs/dbraw/zinc/73/01/16/978730116.db2.gz TYDLOBVAEPYFBR-UHFFFAOYSA-N -1 0 329.396 3.857 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc(Br)cs2)ccc1F ZINC000776630456 978762134 /nfs/dbraw/zinc/76/21/34/978762134.db2.gz KSZQKHWRBMLKMW-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM Cc1oc(C)c(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)c1C ZINC000795524944 978833193 /nfs/dbraw/zinc/83/31/93/978833193.db2.gz QWYFARICJASXIK-CQSZACIVSA-N -1 0 335.787 3.804 20 0 EHADRM CCn1c2ccccc2nc1NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811813519 978856661 /nfs/dbraw/zinc/85/66/61/978856661.db2.gz APQHHTWKGMZWPT-UHFFFAOYSA-N -1 0 343.770 3.660 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc(/C=C/C(=O)[O-])o3)C2)cc1 ZINC000826539135 978946366 /nfs/dbraw/zinc/94/63/66/978946366.db2.gz OQMHUWOLHCRANL-DYIUODAASA-N -1 0 339.391 3.704 20 0 EHADRM Cc1ccc([C@H]2CCN(C(=O)c3ccc(/C=C\C(=O)[O-])o3)C2)c(C)c1 ZINC000826571808 978947024 /nfs/dbraw/zinc/94/70/24/978947024.db2.gz LOBALQLIBRYGOV-KKTNHOPESA-N -1 0 339.391 3.624 20 0 EHADRM CCc1ccc([C@@H](NC(=O)N2CCC[C@H]2CC(=O)[O-])C(C)C)cc1 ZINC000830236686 979015130 /nfs/dbraw/zinc/01/51/30/979015130.db2.gz CTOQAGBPDJAAPL-WMZOPIPTSA-N -1 0 332.444 3.595 20 0 EHADRM C[C@@H](CNC(=O)Nc1cccc(CCCc2ccccc2)c1)C(=O)[O-] ZINC001592683674 979114107 /nfs/dbraw/zinc/11/41/07/979114107.db2.gz WMRCMROOSMYPIO-HNNXBMFYSA-N -1 0 340.423 3.704 20 0 EHADRM CC[C@H](C)n1nc(NC(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1C ZINC001595023861 979119409 /nfs/dbraw/zinc/11/94/09/979119409.db2.gz LIFKPKJYSQFTQD-NSHDSACASA-N -1 0 330.388 3.813 20 0 EHADRM CC[C@H](C)n1ncc(N[C@@H](C)c2cncc(C(=O)[O-])c2)c1C1CC1 ZINC001595027323 979141749 /nfs/dbraw/zinc/14/17/49/979141749.db2.gz SFSLSTLIHGNODY-RYUDHWBXSA-N -1 0 328.416 3.998 20 0 EHADRM CC[C@@H](C)n1nccc1C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC001595030268 979165950 /nfs/dbraw/zinc/16/59/50/979165950.db2.gz NHDUPTIQSOIIJW-SECBINFHSA-N -1 0 333.413 3.744 20 0 EHADRM CC[C@H](CC(=O)N[C@@H](C(=O)[O-])c1cccc(O)c1)c1ccc(C)cc1 ZINC001595033527 979176569 /nfs/dbraw/zinc/17/65/69/979176569.db2.gz MOFQJGZZXRHQKM-AUUYWEPGSA-N -1 0 341.407 3.526 20 0 EHADRM CC[C@H](CC(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)[O-])C(C)C ZINC001595034041 979180165 /nfs/dbraw/zinc/18/01/65/979180165.db2.gz XNTPYRUKKQCOAX-CJNGLKHVSA-N -1 0 331.412 3.617 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cc3ccccc3cc2O)C1 ZINC000833418248 979182645 /nfs/dbraw/zinc/18/26/45/979182645.db2.gz KVHKYRTYVCKISJ-OAHLLOKOSA-N -1 0 341.407 3.508 20 0 EHADRM CC[C@H](CC(C)C)C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001595035558 979186348 /nfs/dbraw/zinc/18/63/48/979186348.db2.gz HVGVFQOWDZBELO-OLZOCXBDSA-N -1 0 338.473 3.886 20 0 EHADRM C[C@H]1CC(C)(C)c2ccccc2N1Cc1noc(CCCC(=O)[O-])n1 ZINC000833589498 979206880 /nfs/dbraw/zinc/20/68/80/979206880.db2.gz LRVLWUWGLZJHAU-ZDUSSCGKSA-N -1 0 343.427 3.553 20 0 EHADRM CCC(CC)(C(=O)N(C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001595041337 979223112 /nfs/dbraw/zinc/22/31/12/979223112.db2.gz JLNNKABEMZYJTR-UHFFFAOYSA-N -1 0 332.425 3.562 20 0 EHADRM Cc1c(C(=O)Nc2ccc(C(=O)[O-])cc2)cnn1C1CCCCC1 ZINC000836717953 979248976 /nfs/dbraw/zinc/24/89/76/979248976.db2.gz QQJQZNWHIITJGY-UHFFFAOYSA-N -1 0 327.384 3.647 20 0 EHADRM O=C([O-])c1ccccc1-c1ccccc1C(=O)N[C@H]1CCCSC1 ZINC000836742072 979250542 /nfs/dbraw/zinc/25/05/42/979250542.db2.gz WJNCOUACVLUFBO-ZDUSSCGKSA-N -1 0 341.432 3.677 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1ccnc(-c2ccccc2)c1 ZINC001595049815 979276084 /nfs/dbraw/zinc/27/60/84/979276084.db2.gz GJIIVUPHWFYYNM-UHFFFAOYSA-N -1 0 341.411 3.904 20 0 EHADRM COc1ccc2cc(NC(=O)NCCCCCC(=O)[O-])ccc2c1 ZINC000841842002 979315916 /nfs/dbraw/zinc/31/59/16/979315916.db2.gz BHZCPHJZCKKIPJ-UHFFFAOYSA-N -1 0 330.384 3.615 20 0 EHADRM CCC(CC)(CNC(=O)[C@](C)(Cc1ccccc1)C(C)C)C(=O)[O-] ZINC001595064687 979327603 /nfs/dbraw/zinc/32/76/03/979327603.db2.gz ITEJEFZDTONCIB-LJQANCHMSA-N -1 0 333.472 3.899 20 0 EHADRM O=C([O-])[C@@]1(c2ccccc2)CCN(C(=O)C2CCCCCCC2)C1 ZINC000844157732 979347920 /nfs/dbraw/zinc/34/79/20/979347920.db2.gz QGDQKZBNFBEONZ-FQEVSTJZSA-N -1 0 329.440 3.602 20 0 EHADRM CCC(CC)[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC001595105143 979419782 /nfs/dbraw/zinc/41/97/82/979419782.db2.gz ASBGTEMRTNJURU-ZDUSSCGKSA-N -1 0 343.427 3.890 20 0 EHADRM C[C@H](COc1ccccc1)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC001592782829 979420100 /nfs/dbraw/zinc/42/01/00/979420100.db2.gz MNIVAUDNNXQSEW-ZIAGYGMSSA-N -1 0 327.380 3.528 20 0 EHADRM CCC(CC)[C@H](C)C(=O)Nc1cc(C(F)(F)F)cnc1C(=O)[O-] ZINC001595105195 979420599 /nfs/dbraw/zinc/42/05/99/979420599.db2.gz DFPBQBZLSRXQQU-QMMMGPOBSA-N -1 0 332.322 3.809 20 0 EHADRM CCc1cc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)sc1-c1ccccc1 ZINC000848875351 979479516 /nfs/dbraw/zinc/47/95/16/979479516.db2.gz FJPWCCBVJWJUHN-GOSISDBHSA-N -1 0 347.411 3.616 20 0 EHADRM CCC(CC)c1cc(CNCc2cc(C(=O)[O-])c3n2CCCC3)on1 ZINC001595121768 979496005 /nfs/dbraw/zinc/49/60/05/979496005.db2.gz VBMDZEYFAJUWDZ-UHFFFAOYSA-N -1 0 345.443 3.704 20 0 EHADRM Cc1cc(C)c2c(c1)N(C(=O)c1ccc(/C=C\C(=O)[O-])o1)CCC2 ZINC000851594170 979505397 /nfs/dbraw/zinc/50/53/97/979505397.db2.gz GXJCQPVBOOICSL-VURMDHGXSA-N -1 0 325.364 3.587 20 0 EHADRM CCC(CC)n1ccc(C(=O)Oc2ccc(C(=O)[O-])cc2Cl)n1 ZINC001595124526 979505564 /nfs/dbraw/zinc/50/55/64/979505564.db2.gz KWAUSRKBFJSJFO-UHFFFAOYSA-N -1 0 336.775 3.815 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc2cc(Cl)ccc2s1 ZINC000851596030 979510301 /nfs/dbraw/zinc/51/03/01/979510301.db2.gz JVJYVUIPGRAJQR-OAHLLOKOSA-N -1 0 325.817 3.928 20 0 EHADRM CCC[C@@H](Cc1ccccc1)NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851596591 979510848 /nfs/dbraw/zinc/51/08/48/979510848.db2.gz STGZAFBDQKCHKB-PABFRNLHSA-N -1 0 327.380 3.519 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)cc1F ZINC000851600238 979518899 /nfs/dbraw/zinc/51/88/99/979518899.db2.gz KRWCAJGQQCUHQN-WFASDCNBSA-N -1 0 327.302 3.678 20 0 EHADRM CC[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001595126531 979518901 /nfs/dbraw/zinc/51/89/01/979518901.db2.gz WJHBHEYKEJPBLB-WMZOPIPTSA-N -1 0 349.446 3.934 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CC=C(c2cc(C)cc(C)c2)CC1 ZINC000851604413 979528162 /nfs/dbraw/zinc/52/81/62/979528162.db2.gz XFBSHPPVOMGKFU-UHFFFAOYSA-N -1 0 339.391 3.833 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000851619651 979548687 /nfs/dbraw/zinc/54/86/87/979548687.db2.gz WMDKRVPFTCIJLE-GPVXIOJZSA-N -1 0 345.414 3.721 20 0 EHADRM C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC001592830048 979551157 /nfs/dbraw/zinc/55/11/57/979551157.db2.gz GMKMSQGOAPPLGD-JTQLQIEISA-N -1 0 349.383 3.596 20 0 EHADRM CC(C)(C)c1ccc(CCCC(=O)N[C@](C)(CCF)C(=O)[O-])cc1 ZINC000851621879 979553601 /nfs/dbraw/zinc/55/36/01/979553601.db2.gz YLCCCXRXUWGSPM-LJQANCHMSA-N -1 0 337.435 3.626 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC001592830371 979554769 /nfs/dbraw/zinc/55/47/69/979554769.db2.gz PXMMZGZKYBMGSF-OTRWWLKZSA-N -1 0 347.480 3.659 20 0 EHADRM O=C([O-])[C@H]1CCN(C[C@@H](O)c2ccc(F)cc2Cl)c2ccccc21 ZINC000851706071 979571578 /nfs/dbraw/zinc/57/15/78/979571578.db2.gz BPLXIHYHZDFXCR-SUMWQHHRSA-N -1 0 349.789 3.591 20 0 EHADRM C[C@@](Cc1ccc(Cl)cc1)(NC(=O)[C@@H]1CCC=CCCC1)C(=O)[O-] ZINC001592839509 979597869 /nfs/dbraw/zinc/59/78/69/979597869.db2.gz WJVNIQJMKQSUSO-BEFAXECRSA-N -1 0 349.858 3.979 20 0 EHADRM CC[C@@H](CNC(=O)CCCCc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001595140793 979602188 /nfs/dbraw/zinc/60/21/88/979602188.db2.gz SHBVAEUPCPEJFD-INIZCTEOSA-N -1 0 333.472 3.924 20 0 EHADRM Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NCCC(C)(C)C(=O)[O-] ZINC000859802765 979635752 /nfs/dbraw/zinc/63/57/52/979635752.db2.gz HBTASPMWJPNGCG-OAHLLOKOSA-N -1 0 346.471 3.922 20 0 EHADRM CC[C@](CNC(=O)Nc1ccc(C)cc1)(C(=O)[O-])c1ccccc1 ZINC001595152239 979646787 /nfs/dbraw/zinc/64/67/87/979646787.db2.gz IRYGLMWQIXKHAE-LJQANCHMSA-N -1 0 326.396 3.549 20 0 EHADRM CC[C@@H](CNC(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccccc1 ZINC001595153061 979650244 /nfs/dbraw/zinc/65/02/44/979650244.db2.gz SORKLEPNXNFGCD-LBPRGKRZSA-N -1 0 330.359 3.839 20 0 EHADRM CCc1ccc(CN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)C2CC2)cc1 ZINC000864102353 979686901 /nfs/dbraw/zinc/68/69/01/979686901.db2.gz SMZBYNMXADDKOA-BENRWUELSA-N -1 0 339.391 3.745 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N2CC3(CCC3)C[C@@H]2C)cc1)C(=O)[O-] ZINC001592860186 979688593 /nfs/dbraw/zinc/68/85/93/979688593.db2.gz GCYQBJKMVACZRI-KGLIPLIRSA-N -1 0 330.428 3.746 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N2CC[C@H]3CCCC[C@H]3C2)cc1)C(=O)[O-] ZINC001592860538 979691336 /nfs/dbraw/zinc/69/13/36/979691336.db2.gz JHSLMXKIUXIMSE-OIISXLGYSA-N -1 0 344.455 3.994 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N2CCC[C@@H](CCF)C2)cc1)C(=O)[O-] ZINC001592860605 979692277 /nfs/dbraw/zinc/69/22/77/979692277.db2.gz KCMIKQSTYPDYJV-HIFRSBDPSA-N -1 0 336.407 3.553 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)NC[C@@H]2C[C@H]2C2CCCC2)cc1)C(=O)[O-] ZINC001592865685 979708466 /nfs/dbraw/zinc/70/84/66/979708466.db2.gz FXZLHDAYQNJABB-SKDZVZGDSA-N -1 0 344.455 3.898 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(OCc2ccccc2)cs1 ZINC000864119014 979713316 /nfs/dbraw/zinc/71/33/16/979713316.db2.gz SXIZTACCJDOQGV-SFHVURJKSA-N -1 0 347.436 3.700 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)NCC2CCC=CCC2)cc1)C(=O)[O-] ZINC001592867428 979715665 /nfs/dbraw/zinc/71/56/65/979715665.db2.gz QCQWVEQIQPYJKV-AWEZNQCLSA-N -1 0 330.428 3.818 20 0 EHADRM O=C([O-])C1CCC(NC(=O)/C=C\c2csc(C(F)(F)F)c2)CC1 ZINC000864120510 979716268 /nfs/dbraw/zinc/71/62/68/979716268.db2.gz KXWZUYXHRVHFRZ-BHQIHCQQSA-N -1 0 347.358 3.540 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2ccnc3ccccc32)cc1)C(=O)[O-] ZINC001592872860 979732638 /nfs/dbraw/zinc/73/26/38/979732638.db2.gz NDOIIHHDMVCALQ-CYBMUJFWSA-N -1 0 334.375 3.750 20 0 EHADRM COc1ccc2c(c1)CCCCN2C(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000864134310 979736761 /nfs/dbraw/zinc/73/67/61/979736761.db2.gz UOWYPUQEDFNTGH-UHFFFAOYSA-N -1 0 339.391 3.685 20 0 EHADRM COc1ccccc1-c1ccc(C(=O)NCCC(C)(C)C(=O)[O-])s1 ZINC000864145801 979751280 /nfs/dbraw/zinc/75/12/80/979751280.db2.gz NIFGVJFDYNGEBF-UHFFFAOYSA-N -1 0 347.436 3.654 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001592890296 979776888 /nfs/dbraw/zinc/77/68/88/979776888.db2.gz FWGCCKAUBNEVEF-JTQLQIEISA-N -1 0 335.762 3.995 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001592890811 979780066 /nfs/dbraw/zinc/78/00/66/979780066.db2.gz LCEYTHAJWTTYCP-NSHDSACASA-N -1 0 332.787 3.791 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2ccc(/C=C\C(=O)[O-])o2)C(C)C)c1 ZINC000864175937 979816861 /nfs/dbraw/zinc/81/68/61/979816861.db2.gz UDEAXPRBALVCSM-IZTUGPKFSA-N -1 0 327.380 3.813 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000864178002 979822985 /nfs/dbraw/zinc/82/29/85/979822985.db2.gz VMKIUYLXVGGNBJ-KKNNIMLGSA-N -1 0 339.391 3.784 20 0 EHADRM CCCCN(C(=O)c1ccc(/C=C/C(=O)[O-])o1)[C@@H]1CCCC[C@H]1OC ZINC000864178502 979824341 /nfs/dbraw/zinc/82/43/41/979824341.db2.gz BTDHUJPPHCNENM-CJDUSVOKSA-N -1 0 349.427 3.577 20 0 EHADRM Cc1cc(CNC(=O)c2cc3ccc(C(C)C)cc3[nH]2)oc1C(=O)[O-] ZINC000864188075 979836009 /nfs/dbraw/zinc/83/60/09/979836009.db2.gz CDMFIZTZHYJJOJ-UHFFFAOYSA-N -1 0 340.379 3.821 20 0 EHADRM C[C@H](Cc1cncc2ccccc21)C(=O)O[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001592909446 979873839 /nfs/dbraw/zinc/87/38/39/979873839.db2.gz XUSIUTUDMLRANE-BVGQSLNGSA-N -1 0 341.407 3.600 20 0 EHADRM C[C@H](C(=O)N[C@](C)(CC(=O)[O-])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000864200016 979875023 /nfs/dbraw/zinc/87/50/23/979875023.db2.gz PASWZLJANUWLFU-XXFAHNHDSA-N -1 0 344.238 3.857 20 0 EHADRM C[C@H](CC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)[C@H]1CCCO1 ZINC000864225366 979909754 /nfs/dbraw/zinc/90/97/54/979909754.db2.gz RORLPJIUSIKTPH-SJKOYZFVSA-N -1 0 327.380 3.682 20 0 EHADRM C[C@H](Cn1ccc2ccccc21)C(=O)OCc1ccsc1C(=O)[O-] ZINC001592918982 979912263 /nfs/dbraw/zinc/91/22/63/979912263.db2.gz UWQCEOCBLNVBQX-GFCCVEGCSA-N -1 0 343.404 3.781 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000864226428 979912962 /nfs/dbraw/zinc/91/29/62/979912962.db2.gz DVVMCLCUNJMBDX-ZDUSSCGKSA-N -1 0 327.380 3.930 20 0 EHADRM CC[C@@H]1CCCC[C@H]1OCC(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000864226971 979914764 /nfs/dbraw/zinc/91/47/64/979914764.db2.gz SKIWHMIYUGSKGZ-IIDMSEBBSA-N -1 0 345.439 3.577 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1 ZINC001595210679 979985114 /nfs/dbraw/zinc/98/51/14/979985114.db2.gz IWGJBTBKPNIJKS-GFCCVEGCSA-N -1 0 344.436 3.926 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)Nc1cnc(C(=O)[O-])c(Cl)c1 ZINC001595211139 979988857 /nfs/dbraw/zinc/98/88/57/979988857.db2.gz QCRAPOKMLWUNCL-GFCCVEGCSA-N -1 0 332.787 3.641 20 0 EHADRM CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001595213784 980010027 /nfs/dbraw/zinc/01/00/27/980010027.db2.gz XYPNZRMKQQAPEK-CYBMUJFWSA-N -1 0 347.802 3.576 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])[S@@](=O)Cc1csc(C2CCCCC2)n1 ZINC000579805248 1014621717 /nfs/dbraw/zinc/62/17/17/1014621717.db2.gz VVSSFHRYNROWBT-ZSEKCTLFSA-N -1 0 329.487 3.549 20 0 EHADRM CC(F)(F)c1ccccc1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001592944727 980023359 /nfs/dbraw/zinc/02/33/59/980023359.db2.gz QFEXOLBXGGBXDE-UHFFFAOYSA-N -1 0 334.322 3.818 20 0 EHADRM CC[C@H](Cc1cccs1)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001595218660 980034324 /nfs/dbraw/zinc/03/43/24/980034324.db2.gz KLSLWYRTOVWUEP-CYBMUJFWSA-N -1 0 329.425 3.616 20 0 EHADRM CCC(F)(F)CNC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001595226695 980077306 /nfs/dbraw/zinc/07/73/06/980077306.db2.gz VQTFNWYLDGVNRJ-UHFFFAOYSA-N -1 0 333.334 3.827 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)Cc2csc(C3CCCC3)n2)c1 ZINC000872714851 980093307 /nfs/dbraw/zinc/09/33/07/980093307.db2.gz RNDIGMDROFFYDF-UHFFFAOYSA-N -1 0 348.399 3.819 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(-c3cccc(F)c3)s2)CC[C@H]1C(=O)[O-] ZINC000872726042 980106375 /nfs/dbraw/zinc/10/63/75/980106375.db2.gz ZXRWVHMYAXVNIF-SMDDNHRTSA-N -1 0 347.411 3.737 20 0 EHADRM C[C@H](NC(=O)[C@@H](F)CC1CCCCC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001592994089 980199340 /nfs/dbraw/zinc/19/93/40/980199340.db2.gz PBSDRLDKQPFTNA-WBAXXEDZSA-N -1 0 349.446 3.743 20 0 EHADRM C[C@H](NC(=O)C1(C)CCCCCC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001592994150 980200524 /nfs/dbraw/zinc/20/05/24/980200524.db2.gz QSBNRHODWLGHID-DOTOQJQBSA-N -1 0 331.456 3.795 20 0 EHADRM CC[C@H](NC(=O)NCc1ccc(C(=O)[O-])cc1F)c1ccc(C)cc1 ZINC001595252519 980220108 /nfs/dbraw/zinc/22/01/08/980220108.db2.gz GSKAKZDTFQEIRZ-KRWDZBQOSA-N -1 0 344.386 3.783 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2ccc([C@@H](F)C(F)(F)F)cc2)CCC1 ZINC000887394099 980221826 /nfs/dbraw/zinc/22/18/26/980221826.db2.gz DCPIRHDTADSEIB-GFCCVEGCSA-N -1 0 348.296 3.778 20 0 EHADRM C[C@H](NC(=O)C1CCCCCCC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593007386 980226601 /nfs/dbraw/zinc/22/66/01/980226601.db2.gz TXXIWVYXPBJCBU-MAUKXSAKSA-N -1 0 331.456 3.795 20 0 EHADRM CC[C@H](NC(=O)NCCCCCCC(=O)[O-])c1ccc(F)cc1F ZINC001595253547 980232756 /nfs/dbraw/zinc/23/27/56/980232756.db2.gz SSHKQLNBCXYZCV-HNNXBMFYSA-N -1 0 342.386 3.750 20 0 EHADRM CC[C@H](NC(=O)Nc1cnc(C)c(C(=O)[O-])c1)c1cc(C)ccc1C ZINC001595258162 980252260 /nfs/dbraw/zinc/25/22/60/980252260.db2.gz LFRYTWLPQWZVRX-KRWDZBQOSA-N -1 0 341.411 3.978 20 0 EHADRM C[C@H](NC(=O)C[C@@H]1CCCCC1(C)C)c1ccc(OCC(=O)[O-])cc1 ZINC001593014124 980252944 /nfs/dbraw/zinc/25/29/44/980252944.db2.gz DRBZQMRKQNPIPT-HOCLYGCPSA-N -1 0 347.455 3.934 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(C(=O)[O-])n1C)c1cccc2ccccc21 ZINC001595265798 980277566 /nfs/dbraw/zinc/27/75/66/980277566.db2.gz FXWBEQYRVUCSSS-MRXNPFEDSA-N -1 0 336.391 3.758 20 0 EHADRM CC[C@H](NC(=O)c1ccc(C)c(C(=O)[O-])c1)c1cc(F)ccc1OC ZINC001595268962 980281604 /nfs/dbraw/zinc/28/16/04/980281604.db2.gz ACAWUEKTQNZAKL-INIZCTEOSA-N -1 0 345.370 3.722 20 0 EHADRM CC[C@H](NC(=S)NNc1cccc(C(=O)[O-])c1C)c1cccs1 ZINC001595277398 980305458 /nfs/dbraw/zinc/30/54/58/980305458.db2.gz SILAJXUACXXVKH-LBPRGKRZSA-N -1 0 349.481 3.697 20 0 EHADRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)c1cscc1Cl ZINC000901569293 980386025 /nfs/dbraw/zinc/38/60/25/980386025.db2.gz IXVNHPUCDKZFSJ-LBPRGKRZSA-N -1 0 337.828 3.607 20 0 EHADRM CC[C@@H](Nc1cccc(C(=O)NC2CC2)c1)c1ccc(C(=O)[O-])cc1 ZINC001595317886 980496748 /nfs/dbraw/zinc/49/67/48/980496748.db2.gz CNLIFALDUHMDCB-GOSISDBHSA-N -1 0 338.407 3.840 20 0 EHADRM CC[C@@H](Nc1ccc(OC[C@@H]2CCCO2)cc1)C1(C(=O)[O-])CCC1 ZINC001595319087 980505786 /nfs/dbraw/zinc/50/57/86/980505786.db2.gz YNGSFILDGZMTJW-DLBZAZTESA-N -1 0 333.428 3.690 20 0 EHADRM CCC(O)(CC)C(C)(C)CNc1ncc(C(=O)[O-])cc1C(F)(F)F ZINC001595321762 980509744 /nfs/dbraw/zinc/50/97/44/980509744.db2.gz NHGADRAKPAWFBE-UHFFFAOYSA-N -1 0 348.365 3.788 20 0 EHADRM COc1cc(C)c(CNc2cccc([C@@H](C)C(=O)[O-])c2)cc1OC ZINC000901813989 980534941 /nfs/dbraw/zinc/53/49/41/980534941.db2.gz IZHIOHWBSBFKLB-CYBMUJFWSA-N -1 0 329.396 3.812 20 0 EHADRM Cc1cc([C@@H](NCc2nc(C(C)(C)C)cs2)C(=O)[O-])ccc1F ZINC000901841834 980561796 /nfs/dbraw/zinc/56/17/96/980561796.db2.gz BJXWIDLYUZYUNW-OAHLLOKOSA-N -1 0 336.432 3.804 20 0 EHADRM C[C@@H]([NH2+]Cc1nc(C(C)(C)C)cs1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000901877906 980592953 /nfs/dbraw/zinc/59/29/53/980592953.db2.gz XJWLXFJLFULQNT-UKRRQHHQSA-N -1 0 346.496 3.862 20 0 EHADRM CC[C@H](OC(=O)Cc1ccc(C(=O)[O-])cc1)c1ccnc(Cl)c1 ZINC001595345979 980633964 /nfs/dbraw/zinc/63/39/64/980633964.db2.gz DTEKHFUAAPDZKK-AWEZNQCLSA-N -1 0 333.771 3.670 20 0 EHADRM CC[C@H](OC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)C(C)(C)c1ccccc1 ZINC001595348459 980647263 /nfs/dbraw/zinc/64/72/63/980647263.db2.gz XFRNILLULRJBRP-BBWFWOEESA-N -1 0 348.439 3.698 20 0 EHADRM CC[C@H](OC(=O)c1cccc(OCC(=O)[O-])c1)c1ccnc(Cl)c1 ZINC001595351439 980657387 /nfs/dbraw/zinc/65/73/87/980657387.db2.gz DMVJIWFVYLQJAH-AWEZNQCLSA-N -1 0 349.770 3.507 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)Nc1ncc(C(=O)[O-])c2ccccc21 ZINC001595355998 980707985 /nfs/dbraw/zinc/70/79/85/980707985.db2.gz VERCUCOFUFNLNV-MRXNPFEDSA-N -1 0 342.395 3.609 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)Nc1cc(C)c(C(=O)[O-])s1 ZINC001595356373 980711278 /nfs/dbraw/zinc/71/12/78/980711278.db2.gz CPVCWIIRRLWVMR-GFCCVEGCSA-N -1 0 333.409 3.859 20 0 EHADRM CC[C@@H](OCCOC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccccc1 ZINC001595357042 980718618 /nfs/dbraw/zinc/71/86/18/980718618.db2.gz UCKLZUQXBWAJNS-BRWVUGGUSA-N -1 0 334.412 3.589 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1c(C)ccc(C(=O)[O-])c1O ZINC001595357076 980718665 /nfs/dbraw/zinc/71/86/65/980718665.db2.gz UZNNKVVWAGKNGD-OAHLLOKOSA-N -1 0 343.379 3.503 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001595357460 980722696 /nfs/dbraw/zinc/72/26/96/980722696.db2.gz ZXYVKXUXZNMHGR-DLBZAZTESA-N -1 0 347.455 3.550 20 0 EHADRM O=C([O-])CCC[C@@H]1CCC[C@@H](Nc2ccc(Cn3cncn3)cc2)C1 ZINC000902101106 980734226 /nfs/dbraw/zinc/73/42/26/980734226.db2.gz LIBTWKAECNCABO-MAUKXSAKSA-N -1 0 342.443 3.552 20 0 EHADRM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001595359544 980742258 /nfs/dbraw/zinc/74/22/58/980742258.db2.gz DFKWRSXTKHNEKV-KSZLIROESA-N -1 0 342.439 3.528 20 0 EHADRM CC[C@H](c1ccc(F)cc1)n1cc(C2CCC(C(=O)[O-])CC2)nn1 ZINC001595359621 980743074 /nfs/dbraw/zinc/74/30/74/980743074.db2.gz FNVXVAYEUJDGNW-MKTAYPAQSA-N -1 0 331.391 3.775 20 0 EHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@H]1Nc1cccc(N2CCCCC2=O)c1 ZINC000902123373 980745722 /nfs/dbraw/zinc/74/57/22/980745722.db2.gz JKQYLLFBKDJEBI-CKEIUWERSA-N -1 0 330.428 3.505 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccnc(C2CC2)c1 ZINC001595360468 980751976 /nfs/dbraw/zinc/75/19/76/980751976.db2.gz HTMHQMWWWHBVCN-SFHVURJKSA-N -1 0 338.407 3.637 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@@H](C)c1ccccc1 ZINC001595361059 980758734 /nfs/dbraw/zinc/75/87/34/980758734.db2.gz DDROMXFEXBYIJG-MAUKXSAKSA-N -1 0 325.408 3.855 20 0 EHADRM O=C([O-])c1cc(CNc2cccc(C(=O)N3CCCCC3)c2)cs1 ZINC000902153609 980760210 /nfs/dbraw/zinc/76/02/10/980760210.db2.gz KJLZTVFPRNIOKB-UHFFFAOYSA-N -1 0 344.436 3.685 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@@H](C)OCCC(C)C ZINC001595361723 980764331 /nfs/dbraw/zinc/76/43/31/980764331.db2.gz NCFCYYMGVBLJMY-WBVHZDCISA-N -1 0 335.444 3.502 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@@H](C)c1ccsc1 ZINC001595361737 980764901 /nfs/dbraw/zinc/76/49/01/980764901.db2.gz NNAUVNRRDHGRBM-XJKSGUPXSA-N -1 0 331.437 3.916 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)OC)Cc1ccsc1C(=O)[O-] ZINC001595362815 980775123 /nfs/dbraw/zinc/77/51/23/980775123.db2.gz PVNLBBJHIBLSBW-OAHLLOKOSA-N -1 0 347.436 3.573 20 0 EHADRM CCc1oc(CN(C)Cc2ccc(SC)c(OC)c2)cc1C(=O)[O-] ZINC000902200023 980779280 /nfs/dbraw/zinc/77/92/80/980779280.db2.gz GPPPBHGDSHEZRF-UHFFFAOYSA-N -1 0 349.452 3.903 20 0 EHADRM C[S@](=O)Cc1cccc(N[C@H]2CCC[C@@H](CCCC(=O)[O-])C2)c1 ZINC000902267716 980808985 /nfs/dbraw/zinc/80/89/85/980808985.db2.gz HYSRGNVFYLNBGJ-UBMNLSNXSA-N -1 0 337.485 3.791 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CNc1ccc(OC2CCOCC2)c(C)c1 ZINC000902283135 980816366 /nfs/dbraw/zinc/81/63/66/980816366.db2.gz ZMGFWIYEOUGYAS-UHFFFAOYSA-N -1 0 345.395 3.765 20 0 EHADRM CC[C@]1(C)CN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CCO1 ZINC001595370075 980839018 /nfs/dbraw/zinc/83/90/18/980839018.db2.gz ADWSCBPSUDFHPG-UKRRQHHQSA-N -1 0 332.227 3.620 20 0 EHADRM CC[C@@]1(C)Oc2ccc(N[C@@H](C)c3cncc(C(=O)[O-])c3)cc2O1 ZINC001595372827 980866266 /nfs/dbraw/zinc/86/62/66/980866266.db2.gz WKHDCAWLQDLPJU-VOJFVSQTSA-N -1 0 328.368 3.850 20 0 EHADRM COCc1cc(Cl)ccc1NCc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000902451912 980894061 /nfs/dbraw/zinc/89/40/61/980894061.db2.gz WADGTQCLXPWNJQ-GFCCVEGCSA-N -1 0 349.814 3.950 20 0 EHADRM CCc1oc(CN[C@@H](CC)c2cc(F)ccc2OC)cc1C(=O)[O-] ZINC000902572559 980938861 /nfs/dbraw/zinc/93/88/61/980938861.db2.gz NIBADCDCAJUEIG-HNNXBMFYSA-N -1 0 335.375 3.929 20 0 EHADRM Cc1nc(C(C)C)sc1[C@@H](C)N(C)Cc1cncc(C(=O)[O-])c1 ZINC000903898287 981027491 /nfs/dbraw/zinc/02/74/91/981027491.db2.gz ODPFCFAICITKLI-GFCCVEGCSA-N -1 0 333.457 3.861 20 0 EHADRM CCC1CCC(NC(=O)C2(Cc3ccc(F)cc3)CC2)(C(=O)[O-])CC1 ZINC001595420395 981035132 /nfs/dbraw/zinc/03/51/32/981035132.db2.gz IVCWIAOEEVXINB-UHFFFAOYSA-N -1 0 347.430 3.688 20 0 EHADRM CCC1CCC(NC(=O)[C@@H](C)CCc2ccccc2F)(C(=O)[O-])CC1 ZINC001595420519 981036316 /nfs/dbraw/zinc/03/63/16/981036316.db2.gz QFNDCZNDPGHCQA-BQTBQCLESA-N -1 0 349.446 3.934 20 0 EHADRM CCC1CCC(NC(=O)C/C=C/c2ccc(C)cc2)(C(=O)[O-])CC1 ZINC001595420794 981038367 /nfs/dbraw/zinc/03/83/67/981038367.db2.gz ILCHFGHZVIDMCN-SNAWJCMRSA-N -1 0 329.440 3.938 20 0 EHADRM CCC1CCC(NC(=O)c2ccc(C(C)C)cc2O)(C(=O)[O-])CC1 ZINC001595424577 981042997 /nfs/dbraw/zinc/04/29/97/981042997.db2.gz FKLSPLDBPDBBBM-UHFFFAOYSA-N -1 0 333.428 3.669 20 0 EHADRM CC[C@@H]1CCC[C@]1(C)C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC001595436654 981070310 /nfs/dbraw/zinc/07/03/10/981070310.db2.gz SXAAHEAWALETJT-UZLBHIALSA-N -1 0 347.455 3.763 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001595441267 981079288 /nfs/dbraw/zinc/07/92/88/981079288.db2.gz PHJZVGCYZUOZTG-RANZSIQMSA-N -1 0 331.456 3.651 20 0 EHADRM CC[C@H]1CCCC[C@H]1N(C)C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC001595443711 981082557 /nfs/dbraw/zinc/08/25/57/981082557.db2.gz AHVVULRLDYEMCB-WCQYABFASA-N -1 0 339.461 3.593 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@H]2CCOC3(CCCC3)C2)cc1 ZINC000905005555 981085766 /nfs/dbraw/zinc/08/57/66/981085766.db2.gz DSEHMAMBPQACGC-HIFRSBDPSA-N -1 0 331.412 3.553 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1 ZINC001595447709 981096479 /nfs/dbraw/zinc/09/64/79/981096479.db2.gz JGCDUEVTDLTFLZ-PBHICJAKSA-N -1 0 348.439 3.940 20 0 EHADRM Cc1cc(C)cc([C@@H](NCc2ccn(C3CCCC3)n2)C(=O)[O-])c1 ZINC000905390999 981110520 /nfs/dbraw/zinc/11/05/20/981110520.db2.gz KNRSPZNMCKLEBZ-GOSISDBHSA-N -1 0 327.428 3.531 20 0 EHADRM O=C([O-])[C@]1(C(=O)N[C@@H]2CCCc3sccc32)C[C@@H]1c1ccccc1 ZINC000907659391 981205138 /nfs/dbraw/zinc/20/51/38/981205138.db2.gz DJEASVKBZBSSHJ-SPYBWZPUSA-N -1 0 341.432 3.500 20 0 EHADRM CC[C@H]1CN(Cc2cc(C(=O)[O-])c3n2CCCC3)c2ccccc2O1 ZINC001595486965 981231045 /nfs/dbraw/zinc/23/10/45/981231045.db2.gz GOHDFBSJECLVJP-HNNXBMFYSA-N -1 0 340.423 3.700 20 0 EHADRM CC[C@@H]1CN(Cc2ccc(O[C@H](C)C(=O)[O-])cc2)c2ccccc2O1 ZINC001595488443 981235644 /nfs/dbraw/zinc/23/56/44/981235644.db2.gz ODIVYRMGZMKAJG-GDBMZVCRSA-N -1 0 341.407 3.716 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)c1c[nH]c2ccccc21 ZINC000908036681 981256429 /nfs/dbraw/zinc/25/64/29/981256429.db2.gz WCLJOOMRNZGZRB-LRDDRELGSA-N -1 0 330.428 3.667 20 0 EHADRM CC[C@@H]1c2ccc(OC)c(OC)c2CCN1Cc1cc(C(=O)[O-])co1 ZINC001595499446 981264538 /nfs/dbraw/zinc/26/45/38/981264538.db2.gz IUPNUMNLAQADDF-MRXNPFEDSA-N -1 0 345.395 3.504 20 0 EHADRM CC[C@@H]1Cc2ccccc2CN1C(=O)NCCCCCCCC(=O)[O-] ZINC001595500556 981273226 /nfs/dbraw/zinc/27/32/26/981273226.db2.gz PRXJESGQXNVUMB-GOSISDBHSA-N -1 0 346.471 3.958 20 0 EHADRM CC[C@@H]1c2ccccc2CN1C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001595504319 981278612 /nfs/dbraw/zinc/27/86/12/981278612.db2.gz KTLNAXDRFCEJAQ-GOSISDBHSA-N -1 0 348.402 3.833 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908338447 981303829 /nfs/dbraw/zinc/30/38/29/981303829.db2.gz JODLESGIBLZLLU-OAHLLOKOSA-N -1 0 339.476 3.656 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCC1 ZINC000908340566 981305184 /nfs/dbraw/zinc/30/51/84/981305184.db2.gz DHZKMBKSJWVPEZ-CHWSQXEVSA-N -1 0 349.393 3.897 20 0 EHADRM CC(C)Oc1ccccc1CC(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908343100 981306157 /nfs/dbraw/zinc/30/61/57/981306157.db2.gz WDINKTPVNILOSA-UHFFFAOYSA-N -1 0 347.455 3.558 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)c2cc3c(ccc4ccccc34)[nH]2)C1 ZINC000908374202 981310081 /nfs/dbraw/zinc/31/00/81/981310081.db2.gz AGWIQTVHXJEWDR-OCCSQVGLSA-N -1 0 336.391 3.694 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)c2cccc(Nc3ccccc3)c2)C1 ZINC000908380639 981311612 /nfs/dbraw/zinc/31/16/12/981311612.db2.gz ULQOSWQCKHLVBI-KDOFPFPSSA-N -1 0 338.407 3.803 20 0 EHADRM Cc1ccc2c(ccc(C)c2C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000908658374 981336331 /nfs/dbraw/zinc/33/63/31/981336331.db2.gz AHDNBSCFSDAMPM-KRWDZBQOSA-N -1 0 337.419 3.784 20 0 EHADRM O=C([O-])C12CCC(C(=O)Nc3ccc(Cl)c(F)c3)(CC1)CC2 ZINC000908712727 981344990 /nfs/dbraw/zinc/34/49/90/981344990.db2.gz KXEPACUISGVSIF-UHFFFAOYSA-N -1 0 325.767 3.843 20 0 EHADRM CN(CCCCc1ccccc1)C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000908737340 981350600 /nfs/dbraw/zinc/35/06/00/981350600.db2.gz CEBFNVBIJASYHM-UHFFFAOYSA-N -1 0 329.440 3.503 20 0 EHADRM CN(C(=O)CC(C)(C)CC(F)(F)F)[C@H](C(=O)[O-])c1ccccc1 ZINC000909002496 981400110 /nfs/dbraw/zinc/40/01/10/981400110.db2.gz TUGUSNNDWPESPB-ZDUSSCGKSA-N -1 0 331.334 3.639 20 0 EHADRM CC[C@H]1C[C@@H](CC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CCO1 ZINC000909108614 981419244 /nfs/dbraw/zinc/41/92/44/981419244.db2.gz UBYZYNRTJVDXJA-JQWIXIFHSA-N -1 0 325.792 3.572 20 0 EHADRM CCC[C@@](C)(NC(=O)CCC[C@@H](C)c1cccc(OC)c1)C(=O)[O-] ZINC001595547309 981419297 /nfs/dbraw/zinc/41/92/97/981419297.db2.gz MNKYCQVSIBLZLO-AUUYWEPGSA-N -1 0 335.444 3.729 20 0 EHADRM CCC[C@@](C)(NC(=O)Nc1cnc(C)c(C(=O)[O-])c1)c1ccccc1 ZINC001595547759 981423138 /nfs/dbraw/zinc/42/31/38/981423138.db2.gz YTDARDMHZKHQRX-LJQANCHMSA-N -1 0 341.411 3.925 20 0 EHADRM CCC[C@](C)(NC(=O)CC(C)(C)CC(=O)c1ccc(C)cc1)C(=O)[O-] ZINC001595547873 981423868 /nfs/dbraw/zinc/42/38/68/981423868.db2.gz ZXBRTASSODJYKQ-FQEVSTJZSA-N -1 0 347.455 3.744 20 0 EHADRM CCSCc1ccccc1C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000909292805 981461684 /nfs/dbraw/zinc/46/16/84/981461684.db2.gz BWJFDGLMZFOQQG-KRWDZBQOSA-N -1 0 343.448 3.538 20 0 EHADRM CCC[C@@H](C)[C@@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001595570558 981474572 /nfs/dbraw/zinc/47/45/72/981474572.db2.gz DWHUBLHVHZNSJC-CJNGLKHVSA-N -1 0 347.459 3.883 20 0 EHADRM CCC[C@@H](C)CCNS(=O)(=O)c1cccc2c(C(=O)[O-])cccc21 ZINC001595575129 981494583 /nfs/dbraw/zinc/49/45/83/981494583.db2.gz XEUJOEOVUBCKKR-CYBMUJFWSA-N -1 0 349.452 3.643 20 0 EHADRM CCSCc1ccccc1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000909480141 981505811 /nfs/dbraw/zinc/50/58/11/981505811.db2.gz WMZFGKJTSAQIKV-CQSZACIVSA-N -1 0 335.469 3.657 20 0 EHADRM CCc1c(C(=O)Nc2ccc(CC(=O)[O-])cc2)cnn1C(CC)CC ZINC000909505627 981513960 /nfs/dbraw/zinc/51/39/60/981513960.db2.gz SIXNQLIVCFIWIV-UHFFFAOYSA-N -1 0 343.427 3.686 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C[C@@H]1CCO[C@H](C(C)C)C1 ZINC000909513050 981520485 /nfs/dbraw/zinc/52/04/85/981520485.db2.gz NHNHMKYUKSFOIT-PBHICJAKSA-N -1 0 333.428 3.781 20 0 EHADRM CCC[C@H](CC(C)C)C(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001595586128 981529088 /nfs/dbraw/zinc/52/90/88/981529088.db2.gz PRPDMCLYJZPSGD-CYBMUJFWSA-N -1 0 331.416 3.522 20 0 EHADRM CC(C)CC[C@H]1CCCN1C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC000909555231 981539963 /nfs/dbraw/zinc/53/99/63/981539963.db2.gz KYZSKUHCKQUYTN-CQSZACIVSA-N -1 0 342.439 3.836 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N[C@H](CC1CCC1)c1ccccc1 ZINC000909559271 981542362 /nfs/dbraw/zinc/54/23/62/981542362.db2.gz ZURCXZRBBJURGB-MRXNPFEDSA-N -1 0 327.380 3.568 20 0 EHADRM Cc1cccc(C2=CCN(C(=O)C34CCC(C(=O)[O-])(CC3)C4)CC2)c1 ZINC000909560756 981543072 /nfs/dbraw/zinc/54/30/72/981543072.db2.gz WRLKQSYVENYJKW-UHFFFAOYSA-N -1 0 339.435 3.646 20 0 EHADRM CCC[C@@H](CCc1ccccc1)NC(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001595591593 981548369 /nfs/dbraw/zinc/54/83/69/981548369.db2.gz NWBFGVQWNRCVFI-PXNSSMCTSA-N -1 0 346.471 3.684 20 0 EHADRM Cc1cc(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])c(C(F)(F)F)o1 ZINC000909668550 981564823 /nfs/dbraw/zinc/56/48/23/981564823.db2.gz PSZODSRXQSCXCT-GFCCVEGCSA-N -1 0 347.333 3.760 20 0 EHADRM CCC[C@@H](NC(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC001595599498 981572509 /nfs/dbraw/zinc/57/25/09/981572509.db2.gz BVCOAWQJMIPKHH-QGZVFWFLSA-N -1 0 342.395 3.813 20 0 EHADRM CCC[C@@H](NC(=O)NCCc1ccccc1C(=O)[O-])c1ccccc1 ZINC001595599907 981575051 /nfs/dbraw/zinc/57/50/51/981575051.db2.gz IFVNHJPIAUXRSH-GOSISDBHSA-N -1 0 340.423 3.768 20 0 EHADRM CCC[C@@H](NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)C1CCCC1 ZINC001595600836 981583615 /nfs/dbraw/zinc/58/36/15/981583615.db2.gz XWKRWYUITYXOPZ-GPMSIDNRSA-N -1 0 336.476 3.632 20 0 EHADRM COc1cc(NC(=O)CCCc2sccc2C)ccc1C(=O)[O-] ZINC000909731495 981585420 /nfs/dbraw/zinc/58/54/20/981585420.db2.gz YXTGFZCNXAOWPS-UHFFFAOYSA-N -1 0 333.409 3.725 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC001594741767 981614205 /nfs/dbraw/zinc/61/42/05/981614205.db2.gz ZBDRONPNUBXPKL-LBPRGKRZSA-N -1 0 342.222 3.720 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N1CCC(c2ccccc2C(F)(F)F)CC1 ZINC001594742919 981619837 /nfs/dbraw/zinc/61/98/37/981619837.db2.gz JAGAFQWWRWOFBS-GFCCVEGCSA-N -1 0 343.345 3.522 20 0 EHADRM Cc1ccc2c(c1)CC[C@H](C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1)O2 ZINC000909835612 981655121 /nfs/dbraw/zinc/65/51/21/981655121.db2.gz UHUDHCYISXZAJV-SCLBCKFNSA-N -1 0 339.391 3.515 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@H]2CCC(=O)c3ccccc32)cc1 ZINC000909837062 981658051 /nfs/dbraw/zinc/65/80/51/981658051.db2.gz SZRKJXXJXIDXIZ-PXAZEXFGSA-N -1 0 337.375 3.574 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)C2CCC(C(F)(F)F)CC2)cc1F ZINC000909846205 981671758 /nfs/dbraw/zinc/67/17/58/981671758.db2.gz KAKLDPQXYMXADA-UHFFFAOYSA-N -1 0 347.308 3.760 20 0 EHADRM Cc1coc(C)c1C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC000909846608 981672434 /nfs/dbraw/zinc/67/24/34/981672434.db2.gz GGXHMRARNCVKOA-UHFFFAOYSA-N -1 0 342.395 3.837 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)Nc1ccc2[nH]c(C3CCCCC3)nc2c1 ZINC001594759160 981685724 /nfs/dbraw/zinc/68/57/24/981685724.db2.gz DVRCKHFKBLKJSX-ZDUSSCGKSA-N -1 0 329.400 3.660 20 0 EHADRM CCC[C@H]1CCC[C@@H]1C(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC001595620371 981688664 /nfs/dbraw/zinc/68/86/64/981688664.db2.gz FQSIWSQKHNUKLL-HOCLYGCPSA-N -1 0 337.847 3.970 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1ccccc1Oc1cc(F)cc(F)c1 ZINC001594761798 981694078 /nfs/dbraw/zinc/69/40/78/981694078.db2.gz HRVACZBYASRROB-CYBMUJFWSA-N -1 0 335.306 3.806 20 0 EHADRM CCC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001595621097 981696471 /nfs/dbraw/zinc/69/64/71/981696471.db2.gz BTQXSAZPJWVSCJ-UTUOFQBUSA-N -1 0 339.461 3.560 20 0 EHADRM CCC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001595621236 981697972 /nfs/dbraw/zinc/69/79/72/981697972.db2.gz DZZBOOSVFGWCHP-RISCZKNCSA-N -1 0 344.415 3.742 20 0 EHADRM CCC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001595621573 981700886 /nfs/dbraw/zinc/70/08/86/981700886.db2.gz LBGPLRAAUMVMSD-OCCSQVGLSA-N -1 0 334.416 3.874 20 0 EHADRM CCC[C@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)C1 ZINC001595621927 981704298 /nfs/dbraw/zinc/70/42/98/981704298.db2.gz BDPWWKCZKGWSTB-ZDUSSCGKSA-N -1 0 341.411 3.977 20 0 EHADRM CCC[C@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])cc2OCC)C1 ZINC001595622246 981707963 /nfs/dbraw/zinc/70/79/63/981707963.db2.gz KFSGVOVEGGHQAI-ZDUSSCGKSA-N -1 0 334.416 3.828 20 0 EHADRM CCC/C=C\C(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001595624131 981729295 /nfs/dbraw/zinc/72/92/95/981729295.db2.gz MPQKZONXPVZKAM-YVACAVLKSA-N -1 0 330.211 3.766 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)Cc1cc(C)ccc1F)c1ccccc1 ZINC001594768478 981731524 /nfs/dbraw/zinc/73/15/24/981731524.db2.gz ZHYQBCQGHLFQMV-QGZVFWFLSA-N -1 0 329.371 3.573 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(C)(C)C)s1)c1ncc(C(=O)[O-])s1 ZINC000910152221 981766668 /nfs/dbraw/zinc/76/66/68/981766668.db2.gz JTGCXVLJSBNEMD-QMMMGPOBSA-N -1 0 338.454 3.691 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)Cc1c(C)cccc1Cl ZINC001594780851 981785754 /nfs/dbraw/zinc/78/57/54/981785754.db2.gz ICDRGUVREIUKBA-GOSISDBHSA-N -1 0 337.847 3.683 20 0 EHADRM CCCC[C@H](C(=O)[O-])N1CC[C@H]1c1ccc(Br)cc1 ZINC001595628831 981792002 /nfs/dbraw/zinc/79/20/02/981792002.db2.gz NTBIRXAXJKLARC-UONOGXRCSA-N -1 0 326.234 3.839 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)C[C@@H]1CCCc2ccccc21 ZINC001594783455 981795247 /nfs/dbraw/zinc/79/52/47/981795247.db2.gz XHPPBXMOUNBDIY-LAUBAEHRSA-N -1 0 343.467 3.989 20 0 EHADRM Cc1ccccc1[C@H](C)C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC000910233859 981797492 /nfs/dbraw/zinc/79/74/92/981797492.db2.gz PNRIAZIOETWWFF-STQMWFEESA-N -1 0 345.370 3.728 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)c(Cl)c1C ZINC000910239336 981806184 /nfs/dbraw/zinc/80/61/84/981806184.db2.gz JYOMSRJHWZLUJE-YDHLFZDLSA-N -1 0 335.831 3.672 20 0 EHADRM Cc1nc(N2CCC(OC3CCC(C)CC3)CC2)ccc1C(=O)[O-] ZINC000910289584 981845628 /nfs/dbraw/zinc/84/56/28/981845628.db2.gz AIYXQFZUYKCPEH-UHFFFAOYSA-N -1 0 332.444 3.652 20 0 EHADRM CCCC[C@@H](CC)CC(=O)Nc1cc(C(=O)[O-])ccc1C(=O)OC ZINC001595632511 981856926 /nfs/dbraw/zinc/85/69/26/981856926.db2.gz HPRSIHSFHOWTRE-GFCCVEGCSA-N -1 0 335.400 3.716 20 0 EHADRM CCCC[C@H](C)N(CCCC)C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001595632500 981857006 /nfs/dbraw/zinc/85/70/06/981857006.db2.gz ZXHORBHVIJFLFU-AWEZNQCLSA-N -1 0 335.448 3.921 20 0 EHADRM CCC(C)(C)C1CCC(CC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])CC1 ZINC001594796945 981884204 /nfs/dbraw/zinc/88/42/04/981884204.db2.gz RWOMEAJRKZUKQG-RUXDESIVSA-N -1 0 345.430 3.940 20 0 EHADRM CCCC[C@@H](NC(=O)c1cc2c3ccccc3n(C)c2s1)C(=O)[O-] ZINC001595636734 981921742 /nfs/dbraw/zinc/92/17/42/981921742.db2.gz NUDVVQLAEYXVNT-CYBMUJFWSA-N -1 0 344.436 3.766 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NCC1(CC2CC2)CC1)C(=O)[O-] ZINC000910411312 981921991 /nfs/dbraw/zinc/92/19/91/981921991.db2.gz YZZNRRNIYMSUDO-LBPRGKRZSA-N -1 0 333.453 3.562 20 0 EHADRM CCC(C)(C)NC(=S)Nc1cc(-c2ccncc2)sc1C(=O)[O-] ZINC001594809138 981924401 /nfs/dbraw/zinc/92/44/01/981924401.db2.gz DKECPQNCYMVKOJ-UHFFFAOYSA-N -1 0 349.481 3.983 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1ccc2c(c1)C=CC1(CCC1)O2 ZINC000910624182 982032933 /nfs/dbraw/zinc/03/29/33/982032933.db2.gz NZJMXTIKSLAHJD-UHFFFAOYSA-N -1 0 339.347 3.867 20 0 EHADRM O=C([O-])CCc1csc(NC(=O)[C@@H]2CCC[C@@H]2c2ccccc2)n1 ZINC000910645094 982037520 /nfs/dbraw/zinc/03/75/20/982037520.db2.gz VIRFIONYGRXZOQ-HUUCEWRRSA-N -1 0 344.436 3.683 20 0 EHADRM CCC1(C(=O)Nc2nc(CCC(=O)[O-])cs2)CCC(F)(F)CC1 ZINC000910646958 982039593 /nfs/dbraw/zinc/03/95/93/982039593.db2.gz ZBFORCJHMAGOFR-UHFFFAOYSA-N -1 0 346.399 3.705 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)c2ccc(C(=O)[O-])cc2F)c1C1CC1 ZINC000910649195 982040590 /nfs/dbraw/zinc/04/05/90/982040590.db2.gz RFNVZSQGIIWIML-JTQLQIEISA-N -1 0 345.374 3.821 20 0 EHADRM O=C([O-])Cc1occc1C(=O)Nc1ncc(C2CCCCC2)s1 ZINC000910649574 982041688 /nfs/dbraw/zinc/04/16/88/982041688.db2.gz BNMALJHDBHGFHW-UHFFFAOYSA-N -1 0 334.397 3.663 20 0 EHADRM CCCC[C@@H](SCC(=O)N(Cc1ccccc1)C1CC1)C(=O)[O-] ZINC001595655126 982042419 /nfs/dbraw/zinc/04/24/19/982042419.db2.gz HKLBLAOSIWACCM-MRXNPFEDSA-N -1 0 335.469 3.554 20 0 EHADRM CCCC[C@@H](SCC(=O)Nc1ccccc1OC(F)F)C(=O)[O-] ZINC001595656058 982049398 /nfs/dbraw/zinc/04/93/98/982049398.db2.gz SKDAKCIRWLFBAC-GFCCVEGCSA-N -1 0 347.383 3.603 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)C1CC1 ZINC001594842002 982060178 /nfs/dbraw/zinc/06/01/78/982060178.db2.gz OWIBWSPGTUSPBJ-OAHLLOKOSA-N -1 0 328.771 3.878 20 0 EHADRM CCCC[C@H](SCc1ccc(OCC(F)(F)F)nc1)C(=O)[O-] ZINC001595657753 982065275 /nfs/dbraw/zinc/06/52/75/982065275.db2.gz RKKACHROFYDEDH-NSHDSACASA-N -1 0 337.363 3.899 20 0 EHADRM CC(C)c1sc(NC(=O)Cc2ccccc2Cl)nc1C(=O)[O-] ZINC000910701187 982071853 /nfs/dbraw/zinc/07/18/53/982071853.db2.gz RCYFPQLICXQISL-UHFFFAOYSA-N -1 0 338.816 3.799 20 0 EHADRM CCCCC1CCC(NC(=O)NCCc2ccc(C(=O)[O-])cc2)CC1 ZINC001595660609 982072230 /nfs/dbraw/zinc/07/22/30/982072230.db2.gz KPSGHJXRLNIGDB-UHFFFAOYSA-N -1 0 346.471 3.976 20 0 EHADRM CCCCC1CCC(CNC(=O)Nc2ccc(C(=O)[O-])nc2)CC1 ZINC001595660858 982073567 /nfs/dbraw/zinc/07/35/67/982073567.db2.gz NBHWEPLTMAYWPN-UHFFFAOYSA-N -1 0 333.432 3.898 20 0 EHADRM CC(C)c1sc(NC(=O)c2ccc(C(C)(C)C)cn2)nc1C(=O)[O-] ZINC000910705343 982074611 /nfs/dbraw/zinc/07/46/11/982074611.db2.gz FNRQFZAZMSJEIJ-UHFFFAOYSA-N -1 0 347.440 3.910 20 0 EHADRM CCCCC1CCC(NC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)CC1 ZINC001595661183 982075167 /nfs/dbraw/zinc/07/51/67/982075167.db2.gz QRXQVKHHSVJNQZ-DEJZDXRPSA-N -1 0 336.476 3.534 20 0 EHADRM CCCC[C@@H]1CCC[C@@H]1NC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001595661207 982075519 /nfs/dbraw/zinc/07/55/19/982075519.db2.gz RHGFNIDBLFEVPR-WBVHZDCISA-N -1 0 332.444 3.585 20 0 EHADRM CC(C)c1sc(NC(=O)c2ccsc2Cl)nc1C(=O)[O-] ZINC000910706251 982075832 /nfs/dbraw/zinc/07/58/32/982075832.db2.gz PWVHFBBSXFJVKU-UHFFFAOYSA-N -1 0 330.818 3.932 20 0 EHADRM CCC[C@@H](C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1)c1ccccn1 ZINC000910707359 982076459 /nfs/dbraw/zinc/07/64/59/982076459.db2.gz XTJRIQXXHZQSKG-LLVKDONJSA-N -1 0 347.440 3.882 20 0 EHADRM Cc1oc(C)c(C(=O)N2CCC[C@@H]2c2nc(C(=O)[O-])c(C)s2)c1C ZINC000910721353 982084407 /nfs/dbraw/zinc/08/44/07/982084407.db2.gz FEHWODIDRHIEIZ-GFCCVEGCSA-N -1 0 348.424 3.645 20 0 EHADRM C/C(=C/C(C)(C)C)C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910723785 982087306 /nfs/dbraw/zinc/08/73/06/982087306.db2.gz OYCMEORFFZFXMF-PRDAAYKISA-N -1 0 336.457 3.806 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910733031 982095185 /nfs/dbraw/zinc/09/51/85/982095185.db2.gz GPPRMVIMAMCIIS-NXEZZACHSA-N -1 0 348.449 3.831 20 0 EHADRM CC(C)Oc1ccccc1C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910734779 982097755 /nfs/dbraw/zinc/09/77/55/982097755.db2.gz WMCBJNJOLDUBMY-UHFFFAOYSA-N -1 0 346.408 3.758 20 0 EHADRM CCCCC[C@@H](NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001595669246 982113357 /nfs/dbraw/zinc/11/33/57/982113357.db2.gz GOLCFTNFIFABNH-RHSMWYFYSA-N -1 0 349.471 3.901 20 0 EHADRM CCCCC[C@@H](NC(=O)Nc1c(C(=O)[O-])cnn1C)c1ccccc1 ZINC001595672593 982135432 /nfs/dbraw/zinc/13/54/32/982135432.db2.gz MXGORSHQRAMFEF-OAHLLOKOSA-N -1 0 344.415 3.561 20 0 EHADRM C[C@@H]1CN(C(=O)c2sccc2-c2ccc(F)cc2)C[C@H]1CC(=O)[O-] ZINC000910863773 982153726 /nfs/dbraw/zinc/15/37/26/982153726.db2.gz AQHLQZNEWCTPJD-DGCLKSJQSA-N -1 0 347.411 3.737 20 0 EHADRM CCCCC[C@H]1CCCCN1C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001595690883 982202507 /nfs/dbraw/zinc/20/25/07/982202507.db2.gz VZTMTXJOBWUBEX-HNNXBMFYSA-N -1 0 333.432 3.675 20 0 EHADRM Cc1sc(CC(=O)Nc2cc(C)cc(C(=O)[O-])c2)nc1C(C)C ZINC000911067148 982224014 /nfs/dbraw/zinc/22/40/14/982224014.db2.gz LAKSLLRXILDQSE-UHFFFAOYSA-N -1 0 332.425 3.763 20 0 EHADRM CC[C@H](C)[C@@H](C)NC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001594881956 982245702 /nfs/dbraw/zinc/24/57/02/982245702.db2.gz VSMMUBVOWLBCOZ-ZENOOKHLSA-N -1 0 332.444 3.539 20 0 EHADRM CC[C@H](C)[C@@H](C)C(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001594882527 982248733 /nfs/dbraw/zinc/24/87/33/982248733.db2.gz YARASEQEONAWMM-NWDGAFQWSA-N -1 0 346.452 3.807 20 0 EHADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)Nc2ccccc2-c2cccs2)O1 ZINC000911136130 982255780 /nfs/dbraw/zinc/25/57/80/982255780.db2.gz RNYPRAXTRGPZAP-SWLSCSKDSA-N -1 0 345.420 3.766 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)CCCc1ccc2ccccc2c1)C(=O)[O-] ZINC001594887978 982276729 /nfs/dbraw/zinc/27/67/29/982276729.db2.gz WXQASHMWGJASMK-IFXJQAMLSA-N -1 0 327.424 3.778 20 0 EHADRM CCCCCCN(Cc1ccco1)C(=O)c1ccnc(C(=O)[O-])c1 ZINC001595708864 982288053 /nfs/dbraw/zinc/28/80/53/982288053.db2.gz IVXBQJYMPXDJHU-UHFFFAOYSA-N -1 0 330.384 3.596 20 0 EHADRM CCN(c1ccc(NC(=O)c2ccc(/C=C\C(=O)[O-])o2)cc1)C(C)C ZINC000911213148 982288721 /nfs/dbraw/zinc/28/87/21/982288721.db2.gz ZLBONWIFMKADDT-BENRWUELSA-N -1 0 342.395 3.864 20 0 EHADRM CCCCCCOCC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001595710939 982297959 /nfs/dbraw/zinc/29/79/59/982297959.db2.gz OOOQCNUGNHONBX-UHFFFAOYSA-N -1 0 331.771 3.713 20 0 EHADRM CCCCCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001595715779 982316528 /nfs/dbraw/zinc/31/65/28/982316528.db2.gz DEWPIVGXTOCCOE-QGZVFWFLSA-N -1 0 348.418 3.701 20 0 EHADRM CCCCN(C(=O)c1[nH]c2ccccc2c1CC(=O)[O-])[C@@H](C)CC ZINC001595732375 982369108 /nfs/dbraw/zinc/36/91/08/982369108.db2.gz WWGZZTXQGUWLTC-ZDUSSCGKSA-N -1 0 330.428 3.836 20 0 EHADRM CCCCN(C)c1ccc(C(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])cc1 ZINC001595740266 982394878 /nfs/dbraw/zinc/39/48/78/982394878.db2.gz CVQYBLUYHLMQRM-YLJYHZDGSA-N -1 0 346.471 3.686 20 0 EHADRM CCCCN(CC(=O)c1cc(C(=O)[O-])[nH]c1C)Cc1ccccc1F ZINC001595741272 982400944 /nfs/dbraw/zinc/40/09/44/982400944.db2.gz HYPDMCBAXVQLAV-UHFFFAOYSA-N -1 0 346.402 3.645 20 0 EHADRM O=C([O-])C1(C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC2(CCC2)C1 ZINC000911389688 982413681 /nfs/dbraw/zinc/41/36/81/982413681.db2.gz JHKHFXVKVUXQOI-VXGBXAGGSA-N -1 0 347.377 3.506 20 0 EHADRM CC1(C)Cc2cc(NC(=O)C34CCC(C(=O)[O-])(CC3)CC4)ccc2O1 ZINC000911466308 982445629 /nfs/dbraw/zinc/44/56/29/982445629.db2.gz PTHMRZSIJREOGA-UHFFFAOYSA-N -1 0 343.423 3.764 20 0 EHADRM CC[C@H](C)[C@@H](Nc1ccc(Oc2ccc(Cl)nn2)cc1)C(=O)[O-] ZINC001594922270 982476335 /nfs/dbraw/zinc/47/63/35/982476335.db2.gz YPFMWZQBRQZGNO-ZUZCIYMTSA-N -1 0 335.791 3.834 20 0 EHADRM CC[C@H](C)[C@@H](OC)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001594927349 982523864 /nfs/dbraw/zinc/52/38/64/982523864.db2.gz STHKYNUHKXVOPF-QANKJYHBSA-N -1 0 349.471 3.677 20 0 EHADRM C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000911592998 982525815 /nfs/dbraw/zinc/52/58/15/982525815.db2.gz ZGUYGMGENSOTDX-DGCLKSJQSA-N -1 0 343.345 3.507 20 0 EHADRM CC[C@H](C)[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)[O-] ZINC001594930670 982554784 /nfs/dbraw/zinc/55/47/84/982554784.db2.gz ZDUYTSMJGGFQJT-SWLSCSKDSA-N -1 0 345.468 3.795 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N2CCC[C@H](CC(F)(F)F)C2)c1 ZINC000911654546 982585260 /nfs/dbraw/zinc/58/52/60/982585260.db2.gz FZVLCUZMERVMEG-SECBINFHSA-N -1 0 349.736 3.843 20 0 EHADRM CC(C)(C)C1CCC(=CC(=O)N[C@@H](CC(=O)[O-])c2ccncc2)CC1 ZINC000911662651 982592729 /nfs/dbraw/zinc/59/27/29/982592729.db2.gz IONFCYDFGARJRT-DJNXLDHESA-N -1 0 344.455 3.876 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)C[C@H](CC)c1ccc(OC)cc1)C(=O)[O-] ZINC001594937923 982603361 /nfs/dbraw/zinc/60/33/61/982603361.db2.gz BAEZSVWWNLNSSD-ZQIUZPCESA-N -1 0 335.444 3.585 20 0 EHADRM O=C([O-])CCCCC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000911728805 982615449 /nfs/dbraw/zinc/61/54/49/982615449.db2.gz WCWSXVJCZPKUIM-WCQYABFASA-N -1 0 330.211 3.611 20 0 EHADRM CC(C)Oc1c(NC(=O)c2ccc(C(C)C)nc2)cccc1C(=O)[O-] ZINC000911734340 982619099 /nfs/dbraw/zinc/61/90/99/982619099.db2.gz RDFWPGYXOFCKEC-UHFFFAOYSA-N -1 0 342.395 3.943 20 0 EHADRM CC[C@@H](C)CC[C@H](O)CC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001594957168 982691575 /nfs/dbraw/zinc/69/15/75/982691575.db2.gz KHUANNSDGRAMEZ-YGRLFVJLSA-N -1 0 327.808 3.554 20 0 EHADRM CC[C@H](C)CCNC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001594958847 982700862 /nfs/dbraw/zinc/70/08/62/982700862.db2.gz HHMLMJQUUNIZJG-VIFPVBQESA-N -1 0 330.331 3.544 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@@]2(c3ccccc3)CCCO2)cc1 ZINC000923081512 982712663 /nfs/dbraw/zinc/71/26/63/982712663.db2.gz VEQGYOGBOBOQRV-VLIAUNLRSA-N -1 0 339.391 3.519 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)c1ccccc1OCC1CC1 ZINC000923091214 982717303 /nfs/dbraw/zinc/71/73/03/982717303.db2.gz NUQXSYZGTBRNSE-UHFFFAOYSA-N -1 0 331.393 3.796 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)Nc2cc(C(=O)[O-])sc2C)c1 ZINC000923094758 982719446 /nfs/dbraw/zinc/71/94/46/982719446.db2.gz PHQYAWDJYLTMNM-JTQLQIEISA-N -1 0 333.409 3.896 20 0 EHADRM CCCN(C(=O)c1sc(C2CCCCC2)nc1C)[C@@H](C)C(=O)[O-] ZINC001595831689 982723131 /nfs/dbraw/zinc/72/31/31/982723131.db2.gz OYOCAZIFNSCSSI-LBPRGKRZSA-N -1 0 338.473 3.825 20 0 EHADRM CC(C)Sc1ccc(C(=O)NCCc2ccccc2C(=O)[O-])cc1 ZINC000923122253 982741499 /nfs/dbraw/zinc/74/14/99/982741499.db2.gz MFFNUDAPFLUESW-UHFFFAOYSA-N -1 0 343.448 3.858 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)NCCc2ccccc2C(=O)[O-])cc1 ZINC000923123511 982743069 /nfs/dbraw/zinc/74/30/69/982743069.db2.gz YZDXQOVFJDTRAC-HNNXBMFYSA-N -1 0 339.435 3.800 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1NC(=O)c1ccc(SCc2ccccc2)cc1 ZINC000923137042 982747483 /nfs/dbraw/zinc/74/74/83/982747483.db2.gz RTRJLCIIGMWUGR-SJORKVTESA-N -1 0 341.432 3.572 20 0 EHADRM CCCN(C)c1ccc(C(=O)O[C@H](C)c2cc(C(=O)[O-])co2)cc1 ZINC001595839234 982751441 /nfs/dbraw/zinc/75/14/41/982751441.db2.gz CVLHKISQADJXBF-GFCCVEGCSA-N -1 0 331.368 3.742 20 0 EHADRM CC[C@@H](C)N(Cc1ccccc1)C(=O)Nc1cnc(C)c(C(=O)[O-])c1 ZINC001594985149 982797282 /nfs/dbraw/zinc/79/72/82/982797282.db2.gz HMEGVCIGTLHGHG-CYBMUJFWSA-N -1 0 341.411 3.921 20 0 EHADRM CC(C)(CC(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1)C(F)(F)F ZINC000923177721 982828867 /nfs/dbraw/zinc/82/88/67/982828867.db2.gz YEPYDYCKEHSQPE-GFCCVEGCSA-N -1 0 337.382 3.752 20 0 EHADRM CC[C@H](C)Oc1cc(-c2noc([C@@H]3CCC[C@H](C(=O)[O-])C3)n2)ccn1 ZINC001594996746 982902345 /nfs/dbraw/zinc/90/23/45/982902345.db2.gz OWOWWTUWDSYFDP-YUTCNCBUSA-N -1 0 345.399 3.667 20 0 EHADRM CC[C@H](C)Oc1cc(-c2nc3cc(C(=O)[O-])cnc3[nH]2)ccc1OC ZINC001594997149 982904754 /nfs/dbraw/zinc/90/47/54/982904754.db2.gz ZQQHZPJRIKUUAU-JTQLQIEISA-N -1 0 341.367 3.509 20 0 EHADRM CCCN(Cc1c(F)cccc1Cl)c1nc(C)cc(C(=O)[O-])n1 ZINC001595886057 982913972 /nfs/dbraw/zinc/91/39/72/982913972.db2.gz VAOOGWDZONIOIH-UHFFFAOYSA-N -1 0 337.782 3.692 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H]2CCCc3ccccc32)cc1 ZINC001116300035 982926788 /nfs/dbraw/zinc/92/67/88/982926788.db2.gz GVTMUSHRPRXEKW-RBUKOAKNSA-N -1 0 337.419 3.747 20 0 EHADRM CC[C@@H](C)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC001595009883 982937656 /nfs/dbraw/zinc/93/76/56/982937656.db2.gz KXGRDGIUUQZTRT-SJKOYZFVSA-N -1 0 329.371 3.895 20 0 EHADRM CO[C@@H]1CCC[C@@H](CC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC001118576891 982960690 /nfs/dbraw/zinc/96/06/90/982960690.db2.gz DESWHDSRVIHPEI-QMTHXVAHSA-N -1 0 325.792 3.572 20 0 EHADRM O=C([O-])CC1CC(Nc2cc(Cl)ccc2OCC(F)(F)F)C1 ZINC001119537504 982984459 /nfs/dbraw/zinc/98/44/59/982984459.db2.gz MUIPZWCFBAWBSE-UHFFFAOYSA-N -1 0 337.725 3.946 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C/C(=O)N(C)C(C)(C)CC(=O)[O-] ZINC001119574491 982988215 /nfs/dbraw/zinc/98/82/15/982988215.db2.gz CZEQQSHSOITBSD-GCZGRYASSA-N -1 0 333.428 3.589 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)/C=C/c1ccc2ccccc2n1 ZINC001119654469 983021171 /nfs/dbraw/zinc/02/11/71/983021171.db2.gz ULDSRIHEZQUUAS-PKNBQFBNSA-N -1 0 332.359 3.893 20 0 EHADRM CCCOc1ccc(CNC(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC001595956746 983146170 /nfs/dbraw/zinc/14/61/70/983146170.db2.gz MYMVWXKLVDQGLK-UHFFFAOYSA-N -1 0 342.395 3.804 20 0 EHADRM CCCOc1ccc(NC(=O)c2cc(C(=O)[O-])oc2C)cc1Cl ZINC001595960130 983148740 /nfs/dbraw/zinc/14/87/40/983148740.db2.gz AKVSZERXHVBLHK-UHFFFAOYSA-N -1 0 337.759 3.981 20 0 EHADRM CCCOc1ccc(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])cc1C ZINC001595960175 983149696 /nfs/dbraw/zinc/14/96/96/983149696.db2.gz CBWWCDCTKNODTN-AWEZNQCLSA-N -1 0 336.432 3.652 20 0 EHADRM CCCOc1ccc(NC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)cc1C ZINC001595961193 983156756 /nfs/dbraw/zinc/15/67/56/983156756.db2.gz VJIFFZHXDGBMBY-HNNXBMFYSA-N -1 0 336.432 3.795 20 0 EHADRM CCCOc1ccc(CNc2cccc(CC(=O)[O-])n2)cc1OCC ZINC001595961127 983157222 /nfs/dbraw/zinc/15/72/22/983157222.db2.gz SVTKGVRKAOOQKV-UHFFFAOYSA-N -1 0 344.411 3.508 20 0 EHADRM CCCc1c(C(=O)NC[C@@H]2CCC[C@@H]2C2CC2)[nH]c(C)c1C(=O)[O-] ZINC001596037075 983317550 /nfs/dbraw/zinc/31/75/50/983317550.db2.gz ANXVMSJQTFWWPK-UONOGXRCSA-N -1 0 332.444 3.530 20 0 EHADRM CCCc1c(C(=O)NC[C@@H]2CCC[C@@H](C)[C@H]2C)[nH]c(C)c1C(=O)[O-] ZINC001596037197 983318189 /nfs/dbraw/zinc/31/81/89/983318189.db2.gz GSLFKDZUEMRKEF-BZPMIXESSA-N -1 0 334.460 3.776 20 0 EHADRM CCCc1ccc([C@H](NC(=O)c2ccoc2CC(=O)[O-])C(C)C)cc1 ZINC001596062886 983372841 /nfs/dbraw/zinc/37/28/41/983372841.db2.gz LVSFTMQPHPCDNZ-LJQANCHMSA-N -1 0 343.423 3.986 20 0 EHADRM CCCc1ccccc1NC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC001596070640 983386639 /nfs/dbraw/zinc/38/66/39/983386639.db2.gz QUDJJDISJQYWGS-UHFFFAOYSA-N -1 0 349.390 3.775 20 0 EHADRM CCCc1ccccc1C(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001596070724 983387256 /nfs/dbraw/zinc/38/72/56/983387256.db2.gz WJIUOTXBILOXDW-OAQYLSRUSA-N -1 0 337.419 3.508 20 0 EHADRM CCCc1csc(NC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])n1 ZINC001596082713 983402511 /nfs/dbraw/zinc/40/25/11/983402511.db2.gz YMMARLZBEWRAAM-SMDDNHRTSA-N -1 0 347.440 3.679 20 0 EHADRM CCCc1nc(C)c(CN[C@@H](C(=O)[O-])c2c(F)cccc2Cl)o1 ZINC001596082862 983403031 /nfs/dbraw/zinc/40/30/31/983403031.db2.gz BATCQGXMCMYWJO-OAHLLOKOSA-N -1 0 340.782 3.644 20 0 EHADRM CCCc1nc(COc2c(C(=O)[O-])cncc2C(F)(F)F)cs1 ZINC001596098787 983421933 /nfs/dbraw/zinc/42/19/33/983421933.db2.gz AWZFEBBBMRKHJG-UHFFFAOYSA-N -1 0 346.330 3.787 20 0 EHADRM CCCn1nccc1C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)[O-] ZINC001596121928 983460171 /nfs/dbraw/zinc/46/01/71/983460171.db2.gz LHPQLCBBMKGGKM-UHFFFAOYSA-N -1 0 342.182 3.550 20 0 EHADRM CCN(C(=O)CSCc1cc(C(=O)[O-])c(C)o1)C1CCCCC1 ZINC001596143529 983497452 /nfs/dbraw/zinc/49/74/52/983497452.db2.gz QAENYKHPWJRVMU-UHFFFAOYSA-N -1 0 339.457 3.701 20 0 EHADRM CCN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)[C@@H](C)c1cc2ccccc2o1 ZINC001596157205 983518138 /nfs/dbraw/zinc/51/81/38/983518138.db2.gz ZEGAQNVLYULSQM-AEGPPILISA-N -1 0 329.396 3.843 20 0 EHADRM CCN(C(=O)Nc1ccc(F)c(C(=O)[O-])c1C)[C@H](C)c1cccnc1 ZINC001596157522 983518518 /nfs/dbraw/zinc/51/85/18/983518518.db2.gz CIFRZCGAWTZVOH-GFCCVEGCSA-N -1 0 345.374 3.842 20 0 EHADRM CCN(C(=O)c1ccc(C)c(Cl)c1F)c1ncc(C(=O)[O-])s1 ZINC001596167153 983531841 /nfs/dbraw/zinc/53/18/41/983531841.db2.gz JPQBHXDBOBFDTK-UHFFFAOYSA-N -1 0 342.779 3.609 20 0 EHADRM CCN(CC)c1ccc(C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])cc1 ZINC001596289537 983709815 /nfs/dbraw/zinc/70/98/15/983709815.db2.gz KQVIOKKJJVAMQD-KRWDZBQOSA-N -1 0 346.471 3.544 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)[C@@H]1CCC(C)(C)C[C@@H]1c1ccccc1 ZINC001596305614 983732916 /nfs/dbraw/zinc/73/29/16/983732916.db2.gz JOPDIHQDHYCLFK-IAGOWNOFSA-N -1 0 331.456 3.920 20 0 EHADRM CCN(CCOc1ccc(/C=C/C(=O)[O-])cc1)c1cccc(OC)c1 ZINC001596345845 983795002 /nfs/dbraw/zinc/79/50/02/983795002.db2.gz WNUDEDSWIWJKDI-FMIVXFBMSA-N -1 0 341.407 3.698 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001596364735 983852888 /nfs/dbraw/zinc/85/28/88/983852888.db2.gz BCEDMXOBOYULQQ-YWEYNIOJSA-N -1 0 339.800 3.755 20 0 EHADRM CCN(Cc1ccccc1F)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001596371407 983869535 /nfs/dbraw/zinc/86/95/35/983869535.db2.gz CAFSDSCYPSHRDG-UHFFFAOYSA-N -1 0 330.359 3.886 20 0 EHADRM CCN(Cc1cccs1)[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001596375127 983882718 /nfs/dbraw/zinc/88/27/18/983882718.db2.gz KAOAVNVIAYXFEC-CYBMUJFWSA-N -1 0 346.452 3.604 20 0 EHADRM CCNC(=O)c1cccc(N[C@@H]2CCCc3ccc(C(=O)[O-])cc32)c1 ZINC001596489588 984227230 /nfs/dbraw/zinc/22/72/30/984227230.db2.gz ILXCIVANKDLOQO-GOSISDBHSA-N -1 0 338.407 3.624 20 0 EHADRM C=Cc1ccc(CCNC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cc1 ZINC001588921236 984578740 /nfs/dbraw/zinc/57/87/40/984578740.db2.gz CRDSGRRHGZOINY-AWEZNQCLSA-N -1 0 338.407 3.882 20 0 EHADRM C/C(=C\C(=O)N1CCCc2c(C(=O)[O-])cccc21)c1cccs1 ZINC001588937668 984617759 /nfs/dbraw/zinc/61/77/59/984617759.db2.gz OQJUBICVFDXYQL-VAWYXSNFSA-N -1 0 327.405 3.829 20 0 EHADRM C/C(=C\C(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1)c1cccs1 ZINC001588939658 984630828 /nfs/dbraw/zinc/63/08/28/984630828.db2.gz RDPAAVGNHINPRI-VOMSXAGXSA-N -1 0 329.421 3.792 20 0 EHADRM C/C(=C\C(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1)C(C)(C)C ZINC001588944123 984645044 /nfs/dbraw/zinc/64/50/44/984645044.db2.gz POYOFAGWCHRUPO-MDWZMJQESA-N -1 0 341.411 3.810 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC001599892579 984713234 /nfs/dbraw/zinc/71/32/34/984713234.db2.gz SREHULVLJPRGTC-QRWLVFNGSA-N -1 0 347.414 3.961 20 0 EHADRM C[C@H](OC(=O)c1ccc(C(=O)[O-])o1)c1ccc(C(F)(F)F)cc1 ZINC001599904186 984901753 /nfs/dbraw/zinc/90/17/53/984901753.db2.gz LGULASDHKGQYEA-QMMMGPOBSA-N -1 0 328.242 3.915 20 0 EHADRM C/C(=C\Cl)CSCC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001588990804 984912588 /nfs/dbraw/zinc/91/25/88/984912588.db2.gz HIXOPDRNUMQBLK-QPJJXVBHSA-N -1 0 333.862 3.877 20 0 EHADRM C/C(=C/c1c(Cl)cccc1Cl)C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001588995639 984926544 /nfs/dbraw/zinc/92/65/44/984926544.db2.gz OHHUPVSOPMWMLQ-AEYNQVNKSA-N -1 0 342.222 3.718 20 0 EHADRM C[C@H](OC(=O)c1cnc(-c2ccccc2)nc1)c1ccc(C(=O)[O-])cc1 ZINC001599906423 984928438 /nfs/dbraw/zinc/92/84/38/984928438.db2.gz BOUIQODIHHICPZ-ZDUSSCGKSA-N -1 0 348.358 3.760 20 0 EHADRM C/C(=C/c1c(Cl)cccc1Cl)C(=O)NC1(CC(=O)[O-])CC1 ZINC001588995973 984930948 /nfs/dbraw/zinc/93/09/48/984930948.db2.gz YKDSZJOAXUZXKK-CLFYSBASSA-N -1 0 328.195 3.520 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)c2ccc(SC3CC3)cc2)(C(=O)[O-])CC1 ZINC001599907827 984946445 /nfs/dbraw/zinc/94/64/45/984946445.db2.gz PMIKVLKSOTUIOB-KSMLVUNXSA-N -1 0 333.453 3.704 20 0 EHADRM C/C(=C/c1ccccn1)C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC001589005107 984962817 /nfs/dbraw/zinc/96/28/17/984962817.db2.gz AXYUOELDKZYDOP-KTKRTIGZSA-N -1 0 345.424 3.576 20 0 EHADRM CCOC(=O)c1ccc(OCc2c(Cl)cccc2C(=O)[O-])cc1 ZINC001596726321 984982923 /nfs/dbraw/zinc/98/29/23/984982923.db2.gz MCDYGZXMTSHHHT-UHFFFAOYSA-N -1 0 334.755 3.794 20 0 EHADRM CCOC(=O)c1ccc(S[C@@H](CC(C)(C)C)C(=O)[O-])c(F)c1 ZINC001596728061 984985927 /nfs/dbraw/zinc/98/59/27/984985927.db2.gz AOICFOYMEUPNGF-ZDUSSCGKSA-N -1 0 328.405 3.984 20 0 EHADRM CC(=O)[C@H](C)CCCCC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001589023542 985024719 /nfs/dbraw/zinc/02/47/19/985024719.db2.gz RNBHRMVTUHWHHE-SECBINFHSA-N -1 0 343.782 3.901 20 0 EHADRM C[C@H]1CN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C)CC[C@H]1C(=O)[O-] ZINC001599917321 985077397 /nfs/dbraw/zinc/07/73/97/985077397.db2.gz NQJIZTCMOJEJRJ-IMJJTQAJSA-N -1 0 332.444 3.526 20 0 EHADRM CC(=O)N(c1ccc(NCc2ccsc2C(=O)[O-])cc1)[C@H]1C[C@@H]1C ZINC001589051476 985139279 /nfs/dbraw/zinc/13/92/79/985139279.db2.gz ILBVQEDKWRVMQI-ZBEGNZNMSA-N -1 0 344.436 3.820 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)C[C@H](C)O1 ZINC001599922144 985150102 /nfs/dbraw/zinc/15/01/02/985150102.db2.gz UVGDAJRVOGSTMN-OLZOCXBDSA-N -1 0 342.395 3.569 20 0 EHADRM CCO[C@@H](CC(=O)N1CCCCc2cc(C(=O)[O-])ccc21)C(C)C ZINC001596775148 985204574 /nfs/dbraw/zinc/20/45/74/985204574.db2.gz MLMNGIMJAMWNAJ-KRWDZBQOSA-N -1 0 333.428 3.505 20 0 EHADRM CCO[C@H](C)c1nc(COC(=O)c2cc(C)cc(C(=O)[O-])c2)cs1 ZINC001596775766 985208517 /nfs/dbraw/zinc/20/85/17/985208517.db2.gz FBIOHQJFKIBJDK-LLVKDONJSA-N -1 0 349.408 3.604 20 0 EHADRM CCO[C@H](C)c1nc(CS[C@@H](C)c2nc(C(=O)[O-])co2)cs1 ZINC001596775816 985209881 /nfs/dbraw/zinc/20/98/81/985209881.db2.gz FWIIBUPBKCMFEV-BDAKNGLRSA-N -1 0 342.442 3.921 20 0 EHADRM CCO[C@H](CCNc1cc(C(F)(F)F)c(C(=O)[O-])cn1)C(C)C ZINC001596784717 985251623 /nfs/dbraw/zinc/25/16/23/985251623.db2.gz VYJIZHNVGLICHT-GFCCVEGCSA-N -1 0 334.338 3.662 20 0 EHADRM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001594478129 985502483 /nfs/dbraw/zinc/50/24/83/985502483.db2.gz MCAFVLVIBMWFRJ-HRDYMLBCSA-N -1 0 328.771 3.686 20 0 EHADRM CC(=O)Nc1cc(N[C@@H](C(=O)[O-])c2ccccc2C)ccc1Cl ZINC001589180859 985555508 /nfs/dbraw/zinc/55/55/08/985555508.db2.gz QAICRBFSMLUAAW-MRXNPFEDSA-N -1 0 332.787 3.845 20 0 EHADRM CC(=O)Nc1ccc(C)c(N[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC001589189747 985586076 /nfs/dbraw/zinc/58/60/76/985586076.db2.gz BRQNBVUPCZBZED-KRWDZBQOSA-N -1 0 346.814 3.715 20 0 EHADRM Cc1[nH]c(C(=O)N2C[C@@H](C)CC[C@@H]2c2ccccc2)c(C)c1C(=O)[O-] ZINC001599951275 985611488 /nfs/dbraw/zinc/61/14/88/985611488.db2.gz PRGBIIVBOMRLPV-BLLLJJGKSA-N -1 0 340.423 3.943 20 0 EHADRM CC(=O)Nc1ccc(N[C@H](C)c2ccccc2OCC(=O)[O-])cc1C ZINC001589199277 985628706 /nfs/dbraw/zinc/62/87/06/985628706.db2.gz AXNNOCHFUJTNGD-CYBMUJFWSA-N -1 0 342.395 3.590 20 0 EHADRM Cc1[nH]c(C(=O)Nc2cccc(COC(C)C)c2)c(C)c1C(=O)[O-] ZINC001599954951 985671826 /nfs/dbraw/zinc/67/18/26/985671826.db2.gz UTWIWEZJICREFX-UHFFFAOYSA-N -1 0 330.384 3.507 20 0 EHADRM CCOC[C@H]1CCCN(c2c(Cl)cc(Cl)cc2C(=O)[O-])C1 ZINC001596893042 985835894 /nfs/dbraw/zinc/83/58/94/985835894.db2.gz TXVJOESDTIXNKZ-JTQLQIEISA-N -1 0 332.227 3.945 20 0 EHADRM CC(=O)c1c(C)cc(C)c(COC(=O)CC(C)(C)CC(=O)[O-])c1C ZINC001589255631 985894844 /nfs/dbraw/zinc/89/48/44/985894844.db2.gz ZFMKGMRAMYQMOO-UHFFFAOYSA-N -1 0 334.412 3.749 20 0 EHADRM Cc1[nH]c2ccccc2c1CC(=O)Nc1scc(C(=O)[O-])c1C ZINC001599965460 985896031 /nfs/dbraw/zinc/89/60/31/985896031.db2.gz LDFNIIHDTWJRBF-UHFFFAOYSA-N -1 0 328.393 3.726 20 0 EHADRM CC(=O)c1cccc(C(=O)Nc2ccc(OC(C)C)cc2C(=O)[O-])c1 ZINC001589309181 986077541 /nfs/dbraw/zinc/07/75/41/986077541.db2.gz HVEKHKDHFCFEEO-UHFFFAOYSA-N -1 0 341.363 3.627 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001599982738 986186232 /nfs/dbraw/zinc/18/62/32/986186232.db2.gz VSVWGMJDMSEGBB-PWSUYJOCSA-N -1 0 335.400 3.722 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)C1(Cc2ccccc2)CC1 ZINC001597008720 986336374 /nfs/dbraw/zinc/33/63/74/986336374.db2.gz BPPRWLJWMOOJJI-UHFFFAOYSA-N -1 0 339.391 3.745 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N(CC)Cc1ccccc1 ZINC001597014426 986360478 /nfs/dbraw/zinc/36/04/78/986360478.db2.gz FWCGTSNEWMSWLX-UHFFFAOYSA-N -1 0 342.395 3.838 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)CO[C@H]1CCCC[C@@H]1CC ZINC001597015834 986371668 /nfs/dbraw/zinc/37/16/68/986371668.db2.gz IZJKUPXVHIQVAK-BBRMVZONSA-N -1 0 349.427 3.707 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)CO[C@@H]1CCCC[C@H]1CC ZINC001597015836 986371706 /nfs/dbraw/zinc/37/17/06/986371706.db2.gz IZJKUPXVHIQVAK-CZUORRHYSA-N -1 0 349.427 3.707 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@H](C)Cc1ccsc1 ZINC001597016554 986382886 /nfs/dbraw/zinc/38/28/86/986382886.db2.gz FMDXATGYFJEWJV-LLVKDONJSA-N -1 0 348.424 3.598 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NCc1ccccc1CC ZINC001597020348 986399452 /nfs/dbraw/zinc/39/94/52/986399452.db2.gz HCKPLMYJMQJVDZ-UHFFFAOYSA-N -1 0 342.395 3.668 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1cc(NC)ccc1Cl ZINC001597022079 986417861 /nfs/dbraw/zinc/41/78/61/986417861.db2.gz KMHZSHARVVJNDZ-UHFFFAOYSA-N -1 0 348.786 3.731 20 0 EHADRM C[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccsc1)c1ccc(Cl)s1 ZINC001589378132 986439624 /nfs/dbraw/zinc/43/96/24/986439624.db2.gz CBLXVUWGACMMFJ-WRWORJQWSA-N -1 0 329.830 3.509 20 0 EHADRM C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1)C1CCC1 ZINC001589381138 986462463 /nfs/dbraw/zinc/46/24/63/986462463.db2.gz MQXYQZWZFRXDBM-HZMBPMFUSA-N -1 0 343.345 3.774 20 0 EHADRM CCOc1cc(NCc2ccccc2O[C@H](C)C(=O)[O-])ccc1OC ZINC001597043059 986498176 /nfs/dbraw/zinc/49/81/76/986498176.db2.gz KTWFCKJJNYPTDW-CYBMUJFWSA-N -1 0 345.395 3.558 20 0 EHADRM CC(C(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1)=C1CCCC1 ZINC001589409288 986601551 /nfs/dbraw/zinc/60/15/51/986601551.db2.gz ARWIKPZRKHVXLK-UHFFFAOYSA-N -1 0 327.380 3.680 20 0 EHADRM C[C@H](C(=O)NCCc1ccccc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001589409904 986608379 /nfs/dbraw/zinc/60/83/79/986608379.db2.gz MQHKFQXBRFVPKB-LBPRGKRZSA-N -1 0 331.799 3.501 20 0 EHADRM CCOc1ccc(CC(=O)Oc2cc(Cl)ccc2C(=O)[O-])cc1 ZINC001597082246 986633559 /nfs/dbraw/zinc/63/35/59/986633559.db2.gz COLZLFPZDJCBNL-UHFFFAOYSA-N -1 0 334.755 3.585 20 0 EHADRM COc1ccccc1S(=O)(=O)Nc1cc(Cl)ccc1Cl ZINC000047215555 1015242733 /nfs/dbraw/zinc/24/27/33/1015242733.db2.gz MAEKEPVFTDVPPR-UHFFFAOYSA-N -1 0 332.208 3.803 20 0 EHADRM C[C@@H](C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)c1cccc(F)c1 ZINC001589429344 986708831 /nfs/dbraw/zinc/70/88/31/986708831.db2.gz NQHYIPYACOJMPG-SNVBAGLBSA-N -1 0 326.327 3.747 20 0 EHADRM CCOc1ccc(Cl)c(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)c1 ZINC001597105062 986732542 /nfs/dbraw/zinc/73/25/42/986732542.db2.gz AURDKVNPCLGZHZ-UHFFFAOYSA-N -1 0 337.803 3.712 20 0 EHADRM CCOc1ccc(Cl)cc1CN[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001597106776 986750418 /nfs/dbraw/zinc/75/04/18/986750418.db2.gz RTCIXAROPBJOFD-SECBINFHSA-N -1 0 340.832 3.744 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(CC(=O)[O-])cc1)c1cn(C)c2ccccc12 ZINC001589436341 986752242 /nfs/dbraw/zinc/75/22/42/986752242.db2.gz VLHKAEWSGXAMRZ-CYBMUJFWSA-N -1 0 336.391 3.548 20 0 EHADRM Cc1cccc(C(=O)/C(C#N)=C\c2cccc(OCCC(=O)[O-])c2)c1C ZINC000067735276 1015252698 /nfs/dbraw/zinc/25/26/98/1015252698.db2.gz ZUPXLPABJKIVSZ-BOPFTXTBSA-N -1 0 349.386 3.947 20 0 EHADRM CCOc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)c(C(=O)[O-])c1F ZINC001597120359 986811398 /nfs/dbraw/zinc/81/13/98/986811398.db2.gz LQLOWZISRYFDJM-QWHCGFSZSA-N -1 0 343.354 3.665 20 0 EHADRM CCOc1ccc(NCc2ccc(/C=C\C(=O)[O-])o2)c2ncccc12 ZINC001597123670 986826879 /nfs/dbraw/zinc/82/68/79/986826879.db2.gz PRFDFWBFXUOHNJ-YFHOEESVSA-N -1 0 338.363 3.936 20 0 EHADRM CCOc1ccc(NC(=O)c2sc(C)cc2C)c(C(=O)[O-])c1F ZINC001597123710 986827032 /nfs/dbraw/zinc/82/70/32/986827032.db2.gz QFZKTFVOOUNITE-UHFFFAOYSA-N -1 0 337.372 3.853 20 0 EHADRM CC(C(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1)=C1CCC1 ZINC001589448546 986827048 /nfs/dbraw/zinc/82/70/48/986827048.db2.gz NPZMPBACCBKVRU-UHFFFAOYSA-N -1 0 342.420 3.871 20 0 EHADRM CCOc1ccc(NC(=O)c2cscc2Cl)c(C(=O)[O-])c1F ZINC001597124074 986829711 /nfs/dbraw/zinc/82/97/11/986829711.db2.gz VGYNQPXRMLFQPR-UHFFFAOYSA-N -1 0 343.763 3.890 20 0 EHADRM CCOc1ccc(SCc2nc(-c3cc(C(=O)[O-])co3)no2)cc1 ZINC001597139599 986880537 /nfs/dbraw/zinc/88/05/37/986880537.db2.gz BSGWDPLUFUVRPL-UHFFFAOYSA-N -1 0 346.364 3.719 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Nc1ccc2cc[nH]c2c1)c1ccccc1 ZINC001589457968 986898542 /nfs/dbraw/zinc/89/85/42/986898542.db2.gz CKTQXXRWGOMHEB-PXAZEXFGSA-N -1 0 337.379 3.751 20 0 EHADRM CCOc1cccc(/C=C\C(=O)O[C@@H](C)c2cc(C(=O)[O-])co2)c1 ZINC001597150556 986927172 /nfs/dbraw/zinc/92/71/72/986927172.db2.gz VECCNUSXGIDARA-KRZKBDHCSA-N -1 0 330.336 3.694 20 0 EHADRM CCOc1cccc([C@H](C)NC(=O)Nc2ccc(CC(=O)[O-])cc2)c1 ZINC001597150603 986928518 /nfs/dbraw/zinc/92/85/18/986928518.db2.gz QWLUQFDRITXQOV-ZDUSSCGKSA-N -1 0 342.395 3.595 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)C1(Cc2ccccc2Cl)CC1)C1CCC1 ZINC001589469024 986937397 /nfs/dbraw/zinc/93/73/97/986937397.db2.gz OLCPRHKXOUCNGF-LBPRGKRZSA-N -1 0 335.831 3.517 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)[C@@H](c1ccncc1)C1CCCCC1)C1CCC1 ZINC001589469808 986947393 /nfs/dbraw/zinc/94/73/93/986947393.db2.gz YXGNKFOZLWOVRN-RDTXWAMCSA-N -1 0 344.455 3.600 20 0 EHADRM C[C@H]1SCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001594664803 986956558 /nfs/dbraw/zinc/95/65/58/986956558.db2.gz ZYINRUAZTONQIY-QMTHXVAHSA-N -1 0 330.409 3.554 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1)C1CCC1 ZINC001589476677 986977610 /nfs/dbraw/zinc/97/76/10/986977610.db2.gz FTRSIJYPWGLNGO-GFCCVEGCSA-N -1 0 342.439 3.933 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)c1cc(F)c(Cl)cc1Cl)C1CCC1 ZINC001589477757 986987073 /nfs/dbraw/zinc/98/70/73/986987073.db2.gz UJRHQVHWONCVEI-SSDOTTSWSA-N -1 0 334.174 3.600 20 0 EHADRM C/C=C(\CC)C(=O)O[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001594677075 987011461 /nfs/dbraw/zinc/01/14/61/987011461.db2.gz VKLIAKMVSBMTGB-LXRBDXNZSA-N -1 0 330.302 3.601 20 0 EHADRM CC/C(=C\C(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccc(OC)cc1 ZINC001594694104 987106042 /nfs/dbraw/zinc/10/60/42/987106042.db2.gz MFGQLCQMGAIRJN-VAWYXSNFSA-N -1 0 343.354 3.965 20 0 EHADRM CCC(=CC(=O)OCc1coc(-c2ccc(C(=O)[O-])cc2)n1)CC ZINC001594694501 987109222 /nfs/dbraw/zinc/10/92/22/987109222.db2.gz ZUCZWLZDDURDQA-UHFFFAOYSA-N -1 0 329.352 3.829 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N(C)Cc2ccc(Cl)nc2)cc1 ZINC001589503963 987110529 /nfs/dbraw/zinc/11/05/29/987110529.db2.gz IGXYZBQGTQTDDG-NSHDSACASA-N -1 0 347.802 3.587 20 0 EHADRM Cc1ccccc1[C@H](CO)N=c1[n-]nc(-c2ccccc2Cl)s1 ZINC000544846765 1015280434 /nfs/dbraw/zinc/28/04/34/1015280434.db2.gz JHXHKMMKBMJKQV-HNNXBMFYSA-N -1 0 345.855 3.734 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NCC(F)(F)c2ccccc2)cc1 ZINC001589511751 987141930 /nfs/dbraw/zinc/14/19/30/987141930.db2.gz CSINDZLTOAGLPH-GFCCVEGCSA-N -1 0 348.349 3.788 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N[C@H]2C[C@@]2(F)c2ccccc2)cc1 ZINC001589512399 987150163 /nfs/dbraw/zinc/15/01/63/987150163.db2.gz KOBINPBLBDSOGO-XGINMYPSSA-N -1 0 342.370 3.634 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NCC(F)(F)C(C)(C)C)cc1 ZINC001589513525 987159752 /nfs/dbraw/zinc/15/97/52/987159752.db2.gz VOZRUIHPRVRPHC-SNVBAGLBSA-N -1 0 328.359 3.678 20 0 EHADRM CCC(=O)Nc1ccccc1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001594715610 987186807 /nfs/dbraw/zinc/18/68/07/987186807.db2.gz QZFUAGLOZMKSHS-UHFFFAOYSA-N -1 0 346.770 3.639 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)Cn2ccc3ccc(F)cc32)c1 ZINC001589533410 987226530 /nfs/dbraw/zinc/22/65/30/987226530.db2.gz OEKQWUCZWZQYJE-GFCCVEGCSA-N -1 0 340.354 3.607 20 0 EHADRM CCS[C@H](C(=O)Nc1cc(C(=O)[O-])cc2cccnc21)C(C)C ZINC001597251758 987244117 /nfs/dbraw/zinc/24/41/17/987244117.db2.gz VPTORXVLLOIXNA-HNNXBMFYSA-N -1 0 332.425 3.649 20 0 EHADRM CC[C@H](C(=O)NCc1ccc(C(=O)[O-])c(OC)c1)C1CCC(C)CC1 ZINC001594733706 987254754 /nfs/dbraw/zinc/25/47/54/987254754.db2.gz DGZQQGMGEXWNPO-BCLQGDPASA-N -1 0 347.455 3.862 20 0 EHADRM CC[C@@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1C)c1ccc(OC)cc1 ZINC001594734949 987264715 /nfs/dbraw/zinc/26/47/15/987264715.db2.gz FQAFWRMDBWHLNE-CQSZACIVSA-N -1 0 345.370 3.973 20 0 EHADRM CCSCc1ccccc1C(=O)N(C)c1ccccc1C(=O)[O-] ZINC001597264935 987293200 /nfs/dbraw/zinc/29/32/00/987293200.db2.gz DPEJDMCIUURJBI-UHFFFAOYSA-N -1 0 329.421 3.915 20 0 EHADRM CCSCc1cccc(NC(=O)Cc2cccc(C(=O)[O-])c2)c1 ZINC001597264950 987293693 /nfs/dbraw/zinc/29/36/93/987293693.db2.gz FEZXETTVNHJCJY-UHFFFAOYSA-N -1 0 329.421 3.819 20 0 EHADRM CCSc1ccc(CC(=O)Oc2ccc(C(=O)[O-])c(OC)c2)cc1 ZINC001597273209 987327008 /nfs/dbraw/zinc/32/70/08/987327008.db2.gz TZFNVXQRIJBDMH-UHFFFAOYSA-N -1 0 346.404 3.654 20 0 EHADRM CCSc1cccc(F)c1NC(=O)NCC(C)(C)CC(=O)[O-] ZINC001597277365 987334816 /nfs/dbraw/zinc/33/48/16/987334816.db2.gz NOCOUBQTIRHQMR-UHFFFAOYSA-N -1 0 328.409 3.560 20 0 EHADRM CC[C@@H](NCc1nc2cc(C(=O)[O-])ccc2[nH]1)c1ccccc1F ZINC001597291603 987379454 /nfs/dbraw/zinc/37/94/54/987379454.db2.gz NJDCOSNAEXLZCA-CQSZACIVSA-N -1 0 327.359 3.641 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1cnc2ccccc2c1)c1ccccc1 ZINC001589602059 987431049 /nfs/dbraw/zinc/43/10/49/987431049.db2.gz VFAJHNHVPUUAJI-GOSISDBHSA-N -1 0 348.402 3.817 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)Cc2ccc(C3CCC3)cc2)C1 ZINC001589605044 987447650 /nfs/dbraw/zinc/44/76/50/987447650.db2.gz AUULTOXZFUSEPU-GOSISDBHSA-N -1 0 343.467 3.846 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)NCc2ccc(C3CC3)cc2)C1 ZINC001589609512 987454294 /nfs/dbraw/zinc/45/42/94/987454294.db2.gz FXXUWFIPUQSSRU-QGZVFWFLSA-N -1 0 344.455 3.596 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)Nc2nsc3ccccc32)C1 ZINC001589611803 987468588 /nfs/dbraw/zinc/46/85/88/987468588.db2.gz YJTWNHMQPLAUHM-LLVKDONJSA-N -1 0 347.440 3.651 20 0 EHADRM CC(C)(C(=O)[O-])N(Cc1ccccc1)C(=O)c1cncc2ccccc21 ZINC001589616632 987482908 /nfs/dbraw/zinc/48/29/08/987482908.db2.gz LJOOOHAMLPCMPG-UHFFFAOYSA-N -1 0 348.402 3.740 20 0 EHADRM CC[C@H](c1ccccc1F)n1cc(-c2nc(C(=O)[O-])sc2C)nn1 ZINC001597355292 987500894 /nfs/dbraw/zinc/50/08/94/987500894.db2.gz ADLHHVRBFMWVGZ-CYBMUJFWSA-N -1 0 346.387 3.547 20 0 EHADRM CCc1[nH]c(C(=O)N(CC)c2cccc(C)c2F)c(C)c1C(=O)[O-] ZINC001597357907 987511669 /nfs/dbraw/zinc/51/16/69/987511669.db2.gz OUAXWTQQHQMGCF-UHFFFAOYSA-N -1 0 332.375 3.698 20 0 EHADRM CCc1[nH]c(C(=O)N2CCC[C@H](C3CCC3)CC2)c(C)c1C(=O)[O-] ZINC001597360832 987515594 /nfs/dbraw/zinc/51/55/94/987515594.db2.gz HANRWWXSJRYMAN-AWEZNQCLSA-N -1 0 332.444 3.626 20 0 EHADRM CCc1[nH]c(C(=O)N[C@@H](c2ccc(C)cc2)C2CC2)c(C)c1C(=O)[O-] ZINC001597363388 987530598 /nfs/dbraw/zinc/53/05/98/987530598.db2.gz HVEFQQIRULUNLE-SFHVURJKSA-N -1 0 340.423 3.773 20 0 EHADRM CCc1[nH]c(C(=O)N[C@@H]2CCC[C@@H]2CCC(C)C)c(C)c1C(=O)[O-] ZINC001597367320 987541481 /nfs/dbraw/zinc/54/14/81/987541481.db2.gz QFXYKHJFJHYIPX-UKRRQHHQSA-N -1 0 334.460 3.918 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Nc2cncc(Cl)c2)cc1 ZINC001589638704 987561537 /nfs/dbraw/zinc/56/15/37/987561537.db2.gz SPIPWTMQZMPZIV-UHFFFAOYSA-N -1 0 333.775 3.741 20 0 EHADRM CCc1c2ccccc2oc1C(=O)N1C[C@@H](C(=O)[O-])Cc2ccccc21 ZINC001597402585 987673244 /nfs/dbraw/zinc/67/32/44/987673244.db2.gz PTBDZUCPBFMUEW-AWEZNQCLSA-N -1 0 349.386 3.899 20 0 EHADRM CSCCc1ccc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000069164612 1015326754 /nfs/dbraw/zinc/32/67/54/1015326754.db2.gz BQGCPHKCERHOFB-QGZVFWFLSA-N -1 0 343.448 3.789 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)c2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC001589696674 987776485 /nfs/dbraw/zinc/77/64/85/987776485.db2.gz KXQCVLSUGJNIMK-PKNBQFBNSA-N -1 0 341.363 3.859 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)/C(=C/c1ccccc1)C(F)(F)F ZINC001589700497 987791862 /nfs/dbraw/zinc/79/18/62/987791862.db2.gz MVWCWKYPHKNVFM-KIWPFMIBSA-N -1 0 343.345 3.638 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)[C@H]2CCC(=O)c3ccccc32)s1 ZINC001597441073 987802038 /nfs/dbraw/zinc/80/20/38/987802038.db2.gz PEZFRRUFVXAIPS-ZDUSSCGKSA-N -1 0 343.404 3.708 20 0 EHADRM CC(C)(C)[C@H](Nc1nc(C(F)F)nc2ccc(F)cc21)C(=O)[O-] ZINC001589721206 987885960 /nfs/dbraw/zinc/88/59/60/987885960.db2.gz YNUNJKDNRFQYHC-SNVBAGLBSA-N -1 0 327.306 3.618 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCc1c(C)cccc1C ZINC001597460046 987889656 /nfs/dbraw/zinc/88/96/56/987889656.db2.gz RXQNAEUOSZCZJP-UHFFFAOYSA-N -1 0 326.396 3.886 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCc1cccc2cc[nH]c21 ZINC001597460364 987890862 /nfs/dbraw/zinc/89/08/62/987890862.db2.gz XDNFMGJFMJCTKL-UHFFFAOYSA-N -1 0 337.379 3.750 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(Br)o1 ZINC001597465287 987902124 /nfs/dbraw/zinc/90/21/24/987902124.db2.gz RVECCNCURZTTPC-UHFFFAOYSA-N -1 0 338.157 3.555 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(C(F)(F)F)cn1 ZINC001597465280 987902457 /nfs/dbraw/zinc/90/24/57/987902457.db2.gz RNBYHVMJNCBERO-UHFFFAOYSA-N -1 0 338.285 3.613 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)Nc1ccc(OC)cc1OC ZINC001597465485 987905589 /nfs/dbraw/zinc/90/55/89/987905589.db2.gz RWFZZXFEWWDBKU-UHFFFAOYSA-N -1 0 344.367 3.608 20 0 EHADRM CS[C@@H](C)CCC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC001599785132 987908164 /nfs/dbraw/zinc/90/81/64/987908164.db2.gz YSNHKMNXNIHUCN-GWCFXTLKSA-N -1 0 329.849 3.504 20 0 EHADRM CC(C)(C)C1CCC(CC(=O)NCc2ccc(C(=O)[O-])nc2)CC1 ZINC001589726620 987911967 /nfs/dbraw/zinc/91/19/67/987911967.db2.gz NFCYHOTUGGOZAS-UHFFFAOYSA-N -1 0 332.444 3.639 20 0 EHADRM CS[C@H]1CCC[C@@H](NC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)C1 ZINC001599788757 987970609 /nfs/dbraw/zinc/97/06/09/987970609.db2.gz FYMQNHPKZPXYIR-PWSUYJOCSA-N -1 0 347.440 3.662 20 0 EHADRM CC(C)(C)C1CN(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)C1 ZINC001589735228 987984589 /nfs/dbraw/zinc/98/45/89/987984589.db2.gz NZXXRIZPKKPBIF-UHFFFAOYSA-N -1 0 328.771 3.687 20 0 EHADRM CS[C@H]1CCN(C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])C1 ZINC001599790525 987999386 /nfs/dbraw/zinc/99/93/86/987999386.db2.gz IIHQUUOVJVKURM-VIFPVBQESA-N -1 0 342.486 3.713 20 0 EHADRM CSC1CCN(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])CC1 ZINC001599791515 988016819 /nfs/dbraw/zinc/01/68/19/988016819.db2.gz YUAUGTGZIWNDNJ-UHFFFAOYSA-N -1 0 340.470 3.683 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)/C=C\c1ccc(F)c2ccccc12)C(=O)[O-] ZINC001589743112 988021120 /nfs/dbraw/zinc/02/11/20/988021120.db2.gz DDAHMXOKCWDONY-FPISAVPCSA-N -1 0 343.398 3.998 20 0 EHADRM CCc1ccc(-c2noc(CNc3cccc(C(=O)[O-])c3C)n2)cc1 ZINC001597492605 988031108 /nfs/dbraw/zinc/03/11/08/988031108.db2.gz WLOZUDLTXRCFNZ-UHFFFAOYSA-N -1 0 337.379 3.918 20 0 EHADRM CCc1ccc(-c2csc(NC(=O)C[C@@H](C)CC(=O)[O-])n2)s1 ZINC001597492911 988035085 /nfs/dbraw/zinc/03/50/85/988035085.db2.gz YKEZIKPUUQQVGM-SECBINFHSA-N -1 0 338.454 3.873 20 0 EHADRM CCc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC001597495329 988042125 /nfs/dbraw/zinc/04/21/25/988042125.db2.gz SSNSLYJZFOUMRX-NSHDSACASA-N -1 0 344.338 3.515 20 0 EHADRM CCc1ccc(C(=O)N2CCc3cc(C(=O)[O-])ccc3C2)cc1CC ZINC001597500359 988055346 /nfs/dbraw/zinc/05/53/46/988055346.db2.gz KLZLWUQUAAZCEW-UHFFFAOYSA-N -1 0 337.419 3.708 20 0 EHADRM CCc1ccc(C(=O)[O-])c(OC(=O)CC2CC(OC(C)(C)C)C2)c1 ZINC001597507369 988082574 /nfs/dbraw/zinc/08/25/74/988082574.db2.gz WHPGVUXYEOBBGU-UHFFFAOYSA-N -1 0 334.412 3.836 20 0 EHADRM CSC[C@@H]1CCCN1C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001599795288 988087091 /nfs/dbraw/zinc/08/70/91/988087091.db2.gz VGVAEDVJASMMIZ-VIFPVBQESA-N -1 0 346.811 3.537 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)c1nc2ccccc2cc1Cl)C(=O)[O-] ZINC001589761893 988093244 /nfs/dbraw/zinc/09/32/44/988093244.db2.gz QGZDBQUQQRXIPM-CYBMUJFWSA-N -1 0 335.787 3.934 20 0 EHADRM CC(C)(C)C[C@@H]1CCCN1C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001589764213 988098255 /nfs/dbraw/zinc/09/82/55/988098255.db2.gz BNOUYJXOVRIFPF-AWEZNQCLSA-N -1 0 342.439 3.767 20 0 EHADRM CCc1ccc([C@H](C)NC(=O)CSc2ccc(C(=O)[O-])cc2)cc1 ZINC001597513424 988110278 /nfs/dbraw/zinc/11/02/78/988110278.db2.gz UNCQNKURBODSOP-ZDUSSCGKSA-N -1 0 343.448 3.917 20 0 EHADRM CC(C)(C)Cc1ccccc1C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001589788975 988174113 /nfs/dbraw/zinc/17/41/13/988174113.db2.gz KNLLGBBDRRXUCX-SRABZTEZSA-N -1 0 329.440 3.504 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(C(=O)[O-])n1C ZINC001597530627 988186503 /nfs/dbraw/zinc/18/65/03/988186503.db2.gz IFSLZJMKPDNWQL-UHFFFAOYSA-N -1 0 334.803 3.754 20 0 EHADRM CSCc1ccc(CNC(=O)Nc2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001599802799 988204454 /nfs/dbraw/zinc/20/44/54/988204454.db2.gz UHJJNGHMMBEWRA-UHFFFAOYSA-N -1 0 344.436 3.878 20 0 EHADRM CSCc1nnc(SCc2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC001599805828 988254135 /nfs/dbraw/zinc/25/41/35/988254135.db2.gz ZPKRPZGDSXKXMK-UHFFFAOYSA-N -1 0 330.818 3.577 20 0 EHADRM CCc1ccc(NC(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)cc1 ZINC001597547736 988262736 /nfs/dbraw/zinc/26/27/36/988262736.db2.gz OIJBVZOWPLCIDA-ROUUACIJSA-N -1 0 338.407 3.581 20 0 EHADRM CCc1ccc(NC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1Cl ZINC001597548128 988263844 /nfs/dbraw/zinc/26/38/44/988263844.db2.gz STCAQKLDKHFXQL-CYBMUJFWSA-N -1 0 336.819 3.621 20 0 EHADRM CCc1ccc(NC(=O)c2ccc(OC)cc2Cl)c(C(=O)[O-])c1 ZINC001597550656 988268373 /nfs/dbraw/zinc/26/83/73/988268373.db2.gz JIXKUQUMUVIKKA-UHFFFAOYSA-N -1 0 333.771 3.862 20 0 EHADRM CSc1cc(C)ccc1NC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001599807610 988281591 /nfs/dbraw/zinc/28/15/91/988281591.db2.gz PNQKFXCIDRNRDS-UHFFFAOYSA-N -1 0 348.424 3.980 20 0 EHADRM CSc1cc(F)ccc1NC(=O)NCC1(C(=O)[O-])CCCCC1 ZINC001599808239 988291419 /nfs/dbraw/zinc/29/14/19/988291419.db2.gz AVUOMSXEQQZLNI-UHFFFAOYSA-N -1 0 340.420 3.704 20 0 EHADRM CSc1cc(C)c(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)o1 ZINC001599808992 988301958 /nfs/dbraw/zinc/30/19/58/988301958.db2.gz VHMBNDFSXWSMPV-UHFFFAOYSA-N -1 0 325.773 3.914 20 0 EHADRM CCc1ccc2ccccc2c1CNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001597568288 988322783 /nfs/dbraw/zinc/32/27/83/988322783.db2.gz DPEQFJNMJVMGSJ-SJORKVTESA-N -1 0 339.435 3.909 20 0 EHADRM CCc1ccc2occ(C(=O)N[C@@H](C(=O)[O-])c3ccccc3F)c2c1 ZINC001597570230 988340252 /nfs/dbraw/zinc/34/02/52/988340252.db2.gz BDWLLPLVNPEEHD-QGZVFWFLSA-N -1 0 341.338 3.690 20 0 EHADRM CCc1ccc2nc(NC(=O)c3[nH]c(C)c(C(=O)[O-])c3C)sc2c1 ZINC001597570418 988343656 /nfs/dbraw/zinc/34/36/56/988343656.db2.gz HZYUNUKSGLILBK-UHFFFAOYSA-N -1 0 343.408 3.754 20 0 EHADRM CCc1ccc2occ(C(=O)N3CCc4ccccc4[C@H]3C(=O)[O-])c2c1 ZINC001597570390 988343870 /nfs/dbraw/zinc/34/38/70/988343870.db2.gz GVAGEYSNMXVOER-IBGZPJMESA-N -1 0 349.386 3.819 20 0 EHADRM CSc1ccc(CCC(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC001599812023 988354189 /nfs/dbraw/zinc/35/41/89/988354189.db2.gz FNCHFDFZIBDGTL-UHFFFAOYSA-N -1 0 329.421 3.702 20 0 EHADRM CSc1ccc(CCCC(=O)N2[C@H](C)CC(C(=O)[O-])C[C@H]2C)cc1 ZINC001599812950 988369517 /nfs/dbraw/zinc/36/95/17/988369517.db2.gz PLQNYBLVAPJCNI-ZIAGYGMSSA-N -1 0 349.496 3.831 20 0 EHADRM CCc1cccc(C)c1NC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001597579013 988377836 /nfs/dbraw/zinc/37/78/36/988377836.db2.gz OQOWNONAAMMVRW-UHFFFAOYSA-N -1 0 330.384 3.821 20 0 EHADRM CSc1ccc(NC(=O)Nc2cc(C)n(C(C)C)n2)cc1C(=O)[O-] ZINC001599819088 988480235 /nfs/dbraw/zinc/48/02/35/988480235.db2.gz KVJFUWIVBKYPCH-UHFFFAOYSA-N -1 0 348.428 3.837 20 0 EHADRM CSc1ccc(NC(=O)N[C@H](C)c2ccccc2)cc1C(=O)[O-] ZINC001599819043 988480679 /nfs/dbraw/zinc/48/06/79/988480679.db2.gz HZJSBRAIPDZDBA-LLVKDONJSA-N -1 0 330.409 3.989 20 0 EHADRM CCc1ccccc1CC(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001597609131 988491208 /nfs/dbraw/zinc/49/12/08/988491208.db2.gz KVBBXKXSJXMZPX-UHFFFAOYSA-N -1 0 334.375 3.677 20 0 EHADRM CCc1ccccc1C(=O)Oc1cc(/C=C\C(=O)[O-])ccc1OC ZINC001597609862 988500855 /nfs/dbraw/zinc/50/08/55/988500855.db2.gz WVLHUYYNWYBDTD-LUAWRHEFSA-N -1 0 326.348 3.575 20 0 EHADRM CCc1ccccc1NC(=O)CNc1cc(C(=O)[O-])ccc1Cl ZINC001597614828 988524325 /nfs/dbraw/zinc/52/43/25/988524325.db2.gz NBQCXAZFERGZFW-UHFFFAOYSA-N -1 0 332.787 3.651 20 0 EHADRM CSc1cccc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)[O-])n1 ZINC001599821829 988527430 /nfs/dbraw/zinc/52/74/30/988527430.db2.gz JNCKIKUIEFKOSO-UHFFFAOYSA-N -1 0 336.800 3.716 20 0 EHADRM CSc1cccc(Nc2ccc(NC(=O)[C@H](C)CC(=O)[O-])nc2)c1 ZINC001599823171 988550414 /nfs/dbraw/zinc/55/04/14/988550414.db2.gz BAFPSLVSPSCYJK-LLVKDONJSA-N -1 0 345.424 3.596 20 0 EHADRM CSc1ccccc1CC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001599823867 988562775 /nfs/dbraw/zinc/56/27/75/988562775.db2.gz IQSOIURRWPMKQI-UHFFFAOYSA-N -1 0 340.404 3.769 20 0 EHADRM CCc1ccsc1C(=O)Oc1cc(/C=C/C(=O)[O-])ccc1OC ZINC001597625701 988574062 /nfs/dbraw/zinc/57/40/62/988574062.db2.gz DIRMFVVNWCODTM-FNORWQNLSA-N -1 0 332.377 3.636 20 0 EHADRM CSc1ccccc1NC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001599825140 988585794 /nfs/dbraw/zinc/58/57/94/988585794.db2.gz JNXCDMMFDWPZNI-FZKQIMNGSA-N -1 0 327.405 3.606 20 0 EHADRM CCc1nc(C(C)C)ccc1COC(=O)c1ccccc1C(=O)[O-] ZINC001597652903 988701454 /nfs/dbraw/zinc/70/14/54/988701454.db2.gz VWWCELZEDUHBCE-UHFFFAOYSA-N -1 0 327.380 3.823 20 0 EHADRM CCc1nc(C)cn1Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001597663105 988739954 /nfs/dbraw/zinc/73/99/54/988739954.db2.gz KDRYDBAYHWQEAK-UHFFFAOYSA-N -1 0 327.409 3.624 20 0 EHADRM C[C@@H](NC(=O)Cc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1Cl ZINC001599838212 988779484 /nfs/dbraw/zinc/77/94/84/988779484.db2.gz GLCAGEVNWHGACU-SNVBAGLBSA-N -1 0 335.762 3.597 20 0 EHADRM C[C@@H](NC(=O)CSCc1csc(C(=O)[O-])c1)c1ccccc1 ZINC001599838412 988783001 /nfs/dbraw/zinc/78/30/01/988783001.db2.gz QHEQYAWMTXXTON-LLVKDONJSA-N -1 0 335.450 3.557 20 0 EHADRM CCc1nc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)sc1C(=O)[O-] ZINC001597676303 988789769 /nfs/dbraw/zinc/78/97/69/988789769.db2.gz SIRQYTMXSJFMNO-QJPTWQEYSA-N -1 0 336.457 3.949 20 0 EHADRM CCc1nc(NC(=O)NCCCCC2(C(=O)[O-])CCC2)sc1C ZINC001597680724 988810892 /nfs/dbraw/zinc/81/08/92/988810892.db2.gz VOKBAXNRNADTOB-UHFFFAOYSA-N -1 0 339.461 3.561 20 0 EHADRM CCc1nc(NC(=O)c2ccc(F)c(C(F)F)c2)sc1C(=O)[O-] ZINC001597682371 988821968 /nfs/dbraw/zinc/82/19/68/988821968.db2.gz XDSVLPPBLKCNOS-UHFFFAOYSA-N -1 0 344.314 3.733 20 0 EHADRM CCc1nc2ccccc2c(SCc2ncccc2C(=O)[O-])n1 ZINC001597690104 988864281 /nfs/dbraw/zinc/86/42/81/988864281.db2.gz QVPLSOSIFNBXPI-UHFFFAOYSA-N -1 0 325.393 3.578 20 0 EHADRM CCc1nc2c(s1)[C@H](N[C@H](C)c1ncc(C(=O)[O-])s1)CCC2 ZINC001597690612 988872724 /nfs/dbraw/zinc/87/27/24/988872724.db2.gz JAUMZMPCYUZMOD-RKDXNWHRSA-N -1 0 337.470 3.588 20 0 EHADRM C[C@@H](OC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(C(F)(F)F)nc1 ZINC001599846719 988944538 /nfs/dbraw/zinc/94/45/38/988944538.db2.gz XCGSUFDRKKEKTM-VWYCJHECSA-N -1 0 345.317 3.596 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cc(Cl)cc(Cl)c2)C[C@H]1CC(=O)[O-] ZINC001599859479 989144347 /nfs/dbraw/zinc/14/43/47/989144347.db2.gz KAJUHTMPAJMACW-RKDXNWHRSA-N -1 0 331.199 3.568 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cc2F)C[C@H]1CC(=O)[O-] ZINC001599859706 989148264 /nfs/dbraw/zinc/14/82/64/989148264.db2.gz SMANBTSJTFVGNY-HTQZYQBOSA-N -1 0 349.189 3.707 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001597767769 989226162 /nfs/dbraw/zinc/22/61/62/989226162.db2.gz HEACCHMGQLFXIA-VIFPVBQESA-N -1 0 338.306 3.665 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CSCCOc1ccc(OC)cc1 ZINC001597772320 989237455 /nfs/dbraw/zinc/23/74/55/989237455.db2.gz XUUXQGBQPFQGJL-UHFFFAOYSA-N -1 0 336.409 3.861 20 0 EHADRM CCc1oc(CNc2cccc3c2OC(C)(C)C[C@@H]3O)cc1C(=O)[O-] ZINC001597805028 989409706 /nfs/dbraw/zinc/40/97/06/989409706.db2.gz RKDGEAARZJWAHO-HNNXBMFYSA-N -1 0 345.395 3.747 20 0 EHADRM CCc1oc(CNc2nc3ccccc3n2C2CC2)cc1C(=O)[O-] ZINC001597804966 989409757 /nfs/dbraw/zinc/40/97/57/989409757.db2.gz PVBQNAOJDVICDD-UHFFFAOYSA-N -1 0 325.368 3.837 20 0 EHADRM CCc1oc(CNc2ccc(C(=O)N[C@H](C)CC)cc2)cc1C(=O)[O-] ZINC001597805172 989410653 /nfs/dbraw/zinc/41/06/53/989410653.db2.gz WBLWIEKUXYRFGB-GFCCVEGCSA-N -1 0 344.411 3.681 20 0 EHADRM CCc1oc(CNc2ccc(Cl)c(C(=O)OC)c2)cc1C(=O)[O-] ZINC001597805250 989411479 /nfs/dbraw/zinc/41/14/79/989411479.db2.gz ZMGYYYSFDIDIJV-UHFFFAOYSA-N -1 0 337.759 3.592 20 0 EHADRM CCn1c(C)nnc1S[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001597843913 989555802 /nfs/dbraw/zinc/55/58/02/989555802.db2.gz MVTDZXPFAKKMKB-LLVKDONJSA-N -1 0 345.346 3.543 20 0 EHADRM CCn1c(S[C@H](C)C(=O)[O-])nnc1-c1ccc(C(C)(C)C)cc1 ZINC001597862165 989641993 /nfs/dbraw/zinc/64/19/93/989641993.db2.gz OQCQGIGQRTVWHT-LLVKDONJSA-N -1 0 333.457 3.828 20 0 EHADRM CCn1c(SCc2occc2C(=O)[O-])nnc1-c1cccc(C)c1 ZINC001597865384 989656148 /nfs/dbraw/zinc/65/61/48/989656148.db2.gz YQZOYIYTYHYXFD-UHFFFAOYSA-N -1 0 343.408 3.857 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccc(NCc2c[nH]c(C(=O)[O-])c2)cc1 ZINC001590303999 989732111 /nfs/dbraw/zinc/73/21/11/989732111.db2.gz SMFXRNDYUWTEIK-UHFFFAOYSA-N -1 0 331.372 3.672 20 0 EHADRM CCn1cc(Cl)cc1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001597895537 989758284 /nfs/dbraw/zinc/75/82/84/989758284.db2.gz OBNOUNYGAXNMSY-NSHDSACASA-N -1 0 334.803 3.677 20 0 EHADRM CC(C)(C)OC[C@H]1CCCN1c1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001590388176 989905166 /nfs/dbraw/zinc/90/51/66/989905166.db2.gz AZNUIFKEWUPDJY-SNVBAGLBSA-N -1 0 346.349 3.583 20 0 EHADRM CC(C)(C)O[C@@H]1C[C@H]1C(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001590397046 989925402 /nfs/dbraw/zinc/92/54/02/989925402.db2.gz FIDOBULCQYGDGA-ZYHUDNBSSA-N -1 0 333.409 3.742 20 0 EHADRM CC(C)(C)O[C@@H]1C[C@H]1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1Cl ZINC001590397648 989927570 /nfs/dbraw/zinc/92/75/70/989927570.db2.gz UPLKGNMWOXZAHQ-GMSGAONNSA-N -1 0 346.210 3.834 20 0 EHADRM CCn1nc(NC(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)cc1C1CC1 ZINC001597947370 989940316 /nfs/dbraw/zinc/94/03/16/989940316.db2.gz ODXWRYOMGGCQAV-LLVKDONJSA-N -1 0 342.399 3.613 20 0 EHADRM CC(C)(C)Oc1cc(F)ccc1NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001590408452 989941695 /nfs/dbraw/zinc/94/16/95/989941695.db2.gz PTTURMDRVNFQOL-TWGQIWQCSA-N -1 0 347.342 3.946 20 0 EHADRM CC(C)(C)Sc1cc(-c2nc(-c3cc(C(=O)[O-])co3)no2)ccn1 ZINC001590429933 989989132 /nfs/dbraw/zinc/98/91/32/989989132.db2.gz QHXYTZCUOQXFIS-UHFFFAOYSA-N -1 0 345.380 3.980 20 0 EHADRM CC(C)(C)Sc1ccc(-c2noc(C34CC(C(=O)[O-])(C3)C4)n2)cn1 ZINC001590434920 989993546 /nfs/dbraw/zinc/99/35/46/989993546.db2.gz OOXRQOGTGJGOOM-UHFFFAOYSA-N -1 0 345.424 3.529 20 0 EHADRM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001590435004 989994855 /nfs/dbraw/zinc/99/48/55/989994855.db2.gz RCMHEILTXXGYFE-JHJVBQTASA-N -1 0 343.345 3.630 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])s1 ZINC001590475087 990048422 /nfs/dbraw/zinc/04/84/22/990048422.db2.gz HFVUBNXEDSVKAY-INIZCTEOSA-N -1 0 343.448 3.870 20 0 EHADRM CC(C)(C)c1ccc(C2CCN(c3nccc(C(=O)[O-])n3)CC2)cc1 ZINC001590480370 990063568 /nfs/dbraw/zinc/06/35/68/990063568.db2.gz SPQAGGSOQJEJBX-UHFFFAOYSA-N -1 0 339.439 3.856 20 0 EHADRM CC(C)(C)c1ccc(C2CCC(NC(=O)CCC(=O)[O-])CC2)cc1 ZINC001590480716 990069992 /nfs/dbraw/zinc/06/99/92/990069992.db2.gz ZBTYKRNXIKINOO-UHFFFAOYSA-N -1 0 331.456 3.991 20 0 EHADRM CC(C)(C)c1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)nc1 ZINC001590481712 990076249 /nfs/dbraw/zinc/07/62/49/990076249.db2.gz PVEPGDACUWSSIQ-OAHLLOKOSA-N -1 0 331.343 3.501 20 0 EHADRM CC(C)(C)c1ccc(CSCC(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC001590487763 990089207 /nfs/dbraw/zinc/08/92/07/990089207.db2.gz RLIHDQBRZSLNBI-MRXNPFEDSA-N -1 0 349.496 3.683 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001590506210 990122531 /nfs/dbraw/zinc/12/25/31/990122531.db2.gz VCNCELCPBKGZLO-UHFFFAOYSA-N -1 0 344.415 3.644 20 0 EHADRM CN(C(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1ccccc1C(=O)[O-] ZINC001597998417 990124285 /nfs/dbraw/zinc/12/42/85/990124285.db2.gz MFFYGQPAUMMXID-RYUDHWBXSA-N -1 0 349.308 3.569 20 0 EHADRM CC(C)(C)c1csc(COC(=O)c2ccc(C(=O)[O-])s2)n1 ZINC001590532617 990144560 /nfs/dbraw/zinc/14/45/60/990144560.db2.gz HZWDXHMYQRXVCM-UHFFFAOYSA-N -1 0 325.411 3.557 20 0 EHADRM CC(C)(C)c1csc(COC(=O)CC2(CC(=O)[O-])CCCC2)n1 ZINC001590533096 990145358 /nfs/dbraw/zinc/14/53/58/990145358.db2.gz OMVGLRIYIQXXOO-UHFFFAOYSA-N -1 0 339.457 3.909 20 0 EHADRM CC(C)(C)c1nc(-c2nc(-c3cccc(C(=O)[O-])c3)no2)cs1 ZINC001590537399 990154685 /nfs/dbraw/zinc/15/46/85/990154685.db2.gz WEUYZFQCBVDEOT-UHFFFAOYSA-N -1 0 329.381 3.856 20 0 EHADRM CN(C(=O)/C=C\c1ccc(C(C)(C)C)cc1)C1(C(=O)[O-])CCCC1 ZINC001598005895 990156783 /nfs/dbraw/zinc/15/67/83/990156783.db2.gz HGUKOYNASPNEDN-XFXZXTDPSA-N -1 0 329.440 3.853 20 0 EHADRM CC(C)(C)c1[nH]cnc1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001590546015 990187542 /nfs/dbraw/zinc/18/75/42/990187542.db2.gz YWWKLWKIXKBISX-UHFFFAOYSA-N -1 0 343.408 3.872 20 0 EHADRM CN(C(=O)CCCc1ccc(Cl)cc1)C1(C(=O)[O-])CCCCC1 ZINC001598012866 990188014 /nfs/dbraw/zinc/18/80/14/990188014.db2.gz PXCSPCJENHDHFB-UHFFFAOYSA-N -1 0 337.847 3.909 20 0 EHADRM CN(C(=O)CCC1CC1)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598013503 990193917 /nfs/dbraw/zinc/19/39/17/990193917.db2.gz YMZGFJGPGVZYGE-AWEZNQCLSA-N -1 0 330.211 3.768 20 0 EHADRM CN(C(=O)CCc1ccc(Cl)c(F)c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598018196 990198904 /nfs/dbraw/zinc/19/89/04/990198904.db2.gz FZOWBJRTEMVYQD-QGZVFWFLSA-N -1 0 349.789 3.696 20 0 EHADRM CN(C(=O)CCc1ccc(C(=O)[O-])cc1)c1cccc2ncccc21 ZINC001598018307 990200768 /nfs/dbraw/zinc/20/07/68/990200768.db2.gz KLYPNHVBMQAZTH-UHFFFAOYSA-N -1 0 334.375 3.529 20 0 EHADRM CC(C)(C)c1noc(CNc2cc3ccccc3cc2C(=O)[O-])n1 ZINC001590583890 990232327 /nfs/dbraw/zinc/23/23/27/990232327.db2.gz YZNZUIAWPJYJGP-UHFFFAOYSA-N -1 0 325.368 3.831 20 0 EHADRM CC(C)(C)c1nsc(Oc2ccc(NCC(=O)[O-])cc2Cl)n1 ZINC001590588484 990237660 /nfs/dbraw/zinc/23/76/60/990237660.db2.gz AYZZTIVAQZBYNT-UHFFFAOYSA-N -1 0 341.820 3.778 20 0 EHADRM CC(C)(/C=C/Cl)NC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001590614913 990284013 /nfs/dbraw/zinc/28/40/13/990284013.db2.gz AVKXMEIGRBJZRI-VOTSOKGWSA-N -1 0 342.848 3.657 20 0 EHADRM CN(C(=O)Nc1cccc(SCCC(=O)[O-])c1)C1CC(C)(C)C1 ZINC001598061436 990333394 /nfs/dbraw/zinc/33/33/94/990333394.db2.gz GGTFQOLENWBWED-UHFFFAOYSA-N -1 0 336.457 3.906 20 0 EHADRM CC(C)(CC(=O)O[C@@H]1CCC[C@@H](C(=O)[O-])C1)CC(=O)c1ccccc1 ZINC001590648969 990335302 /nfs/dbraw/zinc/33/53/02/990335302.db2.gz NHPSZWJESYFCSC-HZPDHXFCSA-N -1 0 346.423 3.862 20 0 EHADRM CC(C)(CC1CCCCCC1)NC(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001590654898 990349597 /nfs/dbraw/zinc/34/95/97/990349597.db2.gz XZNMZVAOYHOMAV-UHFFFAOYSA-N -1 0 332.444 3.578 20 0 EHADRM CN(C(=O)c1cc(C(F)F)ccc1F)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598077328 990382894 /nfs/dbraw/zinc/38/28/94/990382894.db2.gz ISQAPCLDRUQGNA-CQSZACIVSA-N -1 0 337.297 3.661 20 0 EHADRM CN(C(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1)C(C)(C)CC(=O)[O-] ZINC001598078923 990389564 /nfs/dbraw/zinc/38/95/64/990389564.db2.gz MTYYNRAJJSDEMI-UHFFFAOYSA-N -1 0 330.428 3.791 20 0 EHADRM CC(C)(CNC(=O)NCCCCc1ccc(Cl)s1)CC(=O)[O-] ZINC001590722886 990500023 /nfs/dbraw/zinc/50/00/23/990500023.db2.gz HPXVMJHBRIRISO-UHFFFAOYSA-N -1 0 346.880 3.524 20 0 EHADRM CC(C)(CNc1ncc(C(=O)[O-])cc1C(F)(F)F)CC(F)F ZINC001590780224 990593454 /nfs/dbraw/zinc/59/34/54/990593454.db2.gz VLYFVVMVQFAGHO-UHFFFAOYSA-N -1 0 326.265 3.892 20 0 EHADRM CC(C)(Cc1ccc(O)cc1)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001590821985 990661377 /nfs/dbraw/zinc/66/13/77/990661377.db2.gz NPOBLZJBGSZGPR-UHFFFAOYSA-N -1 0 347.798 3.951 20 0 EHADRM CC(C)(NC(=O)c1cc(F)cc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC001590858270 990744897 /nfs/dbraw/zinc/74/48/97/990744897.db2.gz CNIGSKNICFGMDF-UHFFFAOYSA-N -1 0 335.762 3.842 20 0 EHADRM CC(C)(NCc1ccc2ccc(Cl)cc2n1)c1cc(C(=O)[O-])on1 ZINC001590872691 990781090 /nfs/dbraw/zinc/78/10/90/990781090.db2.gz MRORORRBHNICPQ-UHFFFAOYSA-N -1 0 345.786 3.599 20 0 EHADRM CC(C)(NCc1cncc(C(=O)[O-])c1)c1nc2cc(Cl)ccc2o1 ZINC001590872711 990781233 /nfs/dbraw/zinc/78/12/33/990781233.db2.gz ODFFXAYKHVOWHW-UHFFFAOYSA-N -1 0 345.786 3.599 20 0 EHADRM CC(C)=C[C@H]1[C@@H](C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)C1(C)C ZINC001590914242 990896791 /nfs/dbraw/zinc/89/67/91/990896791.db2.gz CPWDDGLMVRKRCB-QZWWFDLISA-N -1 0 327.424 3.654 20 0 EHADRM COc1cccc(SCCOc2ccccc2[C@@H](OC)C(=O)[O-])c1 ZINC001599684240 990960951 /nfs/dbraw/zinc/96/09/51/990960951.db2.gz RMSOZOUYQVISQA-QGZVFWFLSA-N -1 0 348.420 3.638 20 0 EHADRM CC(C)C(=O)Nc1cccc(N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])c1 ZINC001590948658 990998128 /nfs/dbraw/zinc/99/81/28/990998128.db2.gz LQIMYKQEKNAOAK-KRWDZBQOSA-N -1 0 344.386 3.528 20 0 EHADRM CC(C)C(=O)c1ccc([C@H](C)C(=O)OCc2ccoc2C(=O)[O-])cc1 ZINC001590948926 991002886 /nfs/dbraw/zinc/00/28/86/991002886.db2.gz GNBUFMPVVYFCNL-LBPRGKRZSA-N -1 0 344.363 3.663 20 0 EHADRM COc1cccc2c1[C@H](C(=O)Nc1c(C)sc(C)c1C(=O)[O-])CC2 ZINC001599689166 991037114 /nfs/dbraw/zinc/03/71/14/991037114.db2.gz CFSPNAQIFKJSMR-GFCCVEGCSA-N -1 0 345.420 3.740 20 0 EHADRM CC(C)[C@@H](CCc1ccccc1)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001590980792 991134146 /nfs/dbraw/zinc/13/41/46/991134146.db2.gz KDJCQHQDADBAEI-QZTJIDSGSA-N -1 0 331.456 3.509 20 0 EHADRM COc1ccccc1[C@H](CC(C)C)OC(=O)c1ccoc1CC(=O)[O-] ZINC001599699316 991194481 /nfs/dbraw/zinc/19/44/81/991194481.db2.gz WRGOAWVXESOCIR-KRWDZBQOSA-N -1 0 346.379 3.860 20 0 EHADRM COc1ccccc1C1(c2noc([C@@H]3CCC[C@@H](C(=O)[O-])C3)n2)CC1 ZINC001599703931 991263771 /nfs/dbraw/zinc/26/37/71/991263771.db2.gz MYVXCAWFNFCTPG-CHWSQXEVSA-N -1 0 342.395 3.517 20 0 EHADRM COc1ccccc1[C@@H]1CCCN(c2ncc(C(=O)[O-])s2)CC1 ZINC001599704471 991271439 /nfs/dbraw/zinc/27/14/39/991271439.db2.gz PGUIVRYZVIQWFR-GFCCVEGCSA-N -1 0 332.425 3.624 20 0 EHADRM CC(C)[C@H](NC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001591007806 991272726 /nfs/dbraw/zinc/27/27/26/991272726.db2.gz NOFXJDWJNUYGBM-CFVMTHIKSA-N -1 0 338.835 3.542 20 0 EHADRM CN(C)c1cc(N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@@H]23)cc(C(F)(F)F)c1 ZINC001598307736 991277080 /nfs/dbraw/zinc/27/70/80/991277080.db2.gz IJOTYUIGJXZNCN-UNNXFLIFSA-N -1 0 342.361 3.683 20 0 EHADRM CC(C)[C@H](NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001591013339 991283119 /nfs/dbraw/zinc/28/31/19/991283119.db2.gz MZYXROCABACEJP-SNPRPXQTSA-N -1 0 338.835 3.590 20 0 EHADRM CN(C)c1cccc2sc(C(=O)Nc3ccccc3C(=O)[O-])cc21 ZINC001598342589 991415551 /nfs/dbraw/zinc/41/55/51/991415551.db2.gz SDLOXIRTBRHYFL-UHFFFAOYSA-N -1 0 340.404 3.918 20 0 EHADRM COc1ccccc1NC(=O)[C@H](C)SCc1ccccc1C(=O)[O-] ZINC001599716082 991457989 /nfs/dbraw/zinc/45/79/89/991457989.db2.gz ZVZLEUOEHSFEHG-LBPRGKRZSA-N -1 0 345.420 3.654 20 0 EHADRM CC(C)[C@@]1(C)C[C@@H]1C(=O)Oc1ccc(C(=O)[O-])cc1Br ZINC001591061648 991503299 /nfs/dbraw/zinc/50/32/99/991503299.db2.gz MPICBFKMFMKSMB-MEBBXXQBSA-N -1 0 341.201 3.735 20 0 EHADRM COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001599718943 991503698 /nfs/dbraw/zinc/50/36/98/991503698.db2.gz LFEJSNIXPKUCMC-QWHCGFSZSA-N -1 0 343.354 3.583 20 0 EHADRM CC(C)[C@H]1C[C@@H](CC(=O)Oc2ccc(Cl)cc2C(=O)[O-])CCO1 ZINC001591073344 991540809 /nfs/dbraw/zinc/54/08/09/991540809.db2.gz VOUFGQBOKYPXPB-XHDPSFHLSA-N -1 0 340.803 3.785 20 0 EHADRM CC(C)[C@@H]1C[C@@H]1C(=O)N(C)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001591081296 991590882 /nfs/dbraw/zinc/59/08/82/991590882.db2.gz YHHUTDDEPRWBOM-COPLHBTASA-N -1 0 344.238 3.870 20 0 EHADRM CC(C)[C@@H]1C[C@H]1C(=O)N(C)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001591081380 991591161 /nfs/dbraw/zinc/59/11/61/991591161.db2.gz YHHUTDDEPRWBOM-MISXGVKJSA-N -1 0 344.238 3.870 20 0 EHADRM CC(C)[C@H]1CCCN1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001591087917 991613951 /nfs/dbraw/zinc/61/39/51/991613951.db2.gz UWYXPWUAYMXOOE-MRXNPFEDSA-N -1 0 345.443 3.637 20 0 EHADRM CN(CC(=O)Nc1cccc2ccccc21)c1ccccc1C(=O)[O-] ZINC001598401155 991696559 /nfs/dbraw/zinc/69/65/59/991696559.db2.gz WXVNSGNLQWUUFK-UHFFFAOYSA-N -1 0 334.375 3.613 20 0 EHADRM CC(C)[C@@H]1N(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CC12CCCC2 ZINC001591100230 991720980 /nfs/dbraw/zinc/72/09/80/991720980.db2.gz VWIRLLIQTNRTJF-HNNXBMFYSA-N -1 0 334.391 3.956 20 0 EHADRM CC(C)[C@H]1N(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CC12CCCC2 ZINC001591100231 991721405 /nfs/dbraw/zinc/72/14/05/991721405.db2.gz VWIRLLIQTNRTJF-OAHLLOKOSA-N -1 0 334.391 3.956 20 0 EHADRM CC(C)C[C@H](C(=O)N[C@@](C)(C(=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC001591118701 991786089 /nfs/dbraw/zinc/78/60/89/991786089.db2.gz XYCVCPKEZHSLGM-MAUKXSAKSA-N -1 0 337.847 3.839 20 0 EHADRM CC(C)C[C@@H](C)OC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001591139005 991861983 /nfs/dbraw/zinc/86/19/83/991861983.db2.gz XADWDDJMPZWUDK-CZUORRHYSA-N -1 0 333.428 3.966 20 0 EHADRM COc1sc(CNc2cccc(C(=O)[O-])c2)cc1Br ZINC001599742819 991883713 /nfs/dbraw/zinc/88/37/13/991883713.db2.gz IYJLAMSOEBELTE-UHFFFAOYSA-N -1 0 342.214 3.830 20 0 EHADRM CC(C)C[C@H](CNC(=O)C1=C(c2ccccc2)CCCC1)C(=O)[O-] ZINC001591146692 991884016 /nfs/dbraw/zinc/88/40/16/991884016.db2.gz LNWHDQKOXIXTQU-MRXNPFEDSA-N -1 0 329.440 3.877 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1ccccc1NC1CCCCC1)C(=O)[O-] ZINC001591156168 991900846 /nfs/dbraw/zinc/90/08/46/991900846.db2.gz MDVYKHSYQPITSV-OAHLLOKOSA-N -1 0 346.471 3.908 20 0 EHADRM CC(C)C[C@@H](Sc1nc2ccccc2c(=O)n1C(C)C)C(=O)[O-] ZINC001591191148 992000688 /nfs/dbraw/zinc/00/06/88/992000688.db2.gz QHZQHRQFEJUZMO-CQSZACIVSA-N -1 0 334.441 3.569 20 0 EHADRM CC(C)CC1(C)CCN(C(=O)c2ccccc2CCC(=O)[O-])CC1 ZINC001591197342 992017247 /nfs/dbraw/zinc/01/72/47/992017247.db2.gz ZTNFVSZNXSLHSL-UHFFFAOYSA-N -1 0 331.456 3.992 20 0 EHADRM CC(C)CC[C@H](C)NC(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC001591217366 992072415 /nfs/dbraw/zinc/07/24/15/992072415.db2.gz GCNCGANTAVJFSZ-NWDGAFQWSA-N -1 0 340.395 3.624 20 0 EHADRM CC(C)CCOc1ccc(C(=O)N[C@H](CC(C)(C)C)C(=O)[O-])cc1 ZINC001591259170 992160658 /nfs/dbraw/zinc/16/06/58/992160658.db2.gz DXNSFBQCZQURAO-MRXNPFEDSA-N -1 0 335.444 3.731 20 0 EHADRM CC(C)CCc1ccc(NC(=O)NC[C@H](CC2CC2)C(=O)[O-])cc1 ZINC001591266960 992184729 /nfs/dbraw/zinc/18/47/29/992184729.db2.gz ZKIFTSGDNOLFIP-INIZCTEOSA-N -1 0 332.444 3.898 20 0 EHADRM CC(C)CN(C(=O)[C@H]1C[C@@H](C(=O)[O-])C1)[C@@H](C)c1ccccc1Cl ZINC001591281062 992211553 /nfs/dbraw/zinc/21/15/53/992211553.db2.gz WKPNWNXLTUMTBH-MELADBBJSA-N -1 0 337.847 3.996 20 0 EHADRM CC(C)CN(C(=O)c1cc(F)c(F)cc1Cl)C(C)(C)C(=O)[O-] ZINC001591284663 992219401 /nfs/dbraw/zinc/21/94/01/992219401.db2.gz CSEZMUBPYLHWFU-UHFFFAOYSA-N -1 0 333.762 3.580 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC001591290712 992238490 /nfs/dbraw/zinc/23/84/90/992238490.db2.gz CPRKGFMZSXSWQM-TZMCWYRMSA-N -1 0 341.810 3.542 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1cccc(-n2cccc2)c1 ZINC001591313342 992276243 /nfs/dbraw/zinc/27/62/43/992276243.db2.gz XIWJMWUZGAKSOE-UHFFFAOYSA-N -1 0 342.439 3.686 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)c1ccc2c(c1)-c1ccccc1C2 ZINC001591332129 992309776 /nfs/dbraw/zinc/30/97/76/992309776.db2.gz IJMYNGKFYORVKD-UHFFFAOYSA-N -1 0 337.419 3.831 20 0 EHADRM CS[C@H](C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1)c1ccccc1 ZINC001599781638 992371936 /nfs/dbraw/zinc/37/19/36/992371936.db2.gz SOVNYEKGOATGNP-SJORKVTESA-N -1 0 349.496 3.878 20 0 EHADRM CC(C)COCCC(=O)O[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001591389780 992439716 /nfs/dbraw/zinc/43/97/16/992439716.db2.gz IANQLJZJHVJBQD-AWEZNQCLSA-N -1 0 349.210 3.725 20 0 EHADRM CN(CCc1cccs1)c1ncc(C(=O)[O-])cc1C(F)(F)F ZINC001598501615 992441914 /nfs/dbraw/zinc/44/19/14/992441914.db2.gz RAWVGHPQMNMXQD-UHFFFAOYSA-N -1 0 330.331 3.539 20 0 EHADRM CC(C)COc1cccc(COc2ccc(C(=O)[O-])cc2C=O)c1 ZINC001591401824 992478042 /nfs/dbraw/zinc/47/80/42/992478042.db2.gz CJYONTCXQSBGIH-UHFFFAOYSA-N -1 0 328.364 3.811 20 0 EHADRM CN(Cc1cc(-c2ccccc2)n[nH]1)Cc1cc(C(=O)[O-])ccc1F ZINC001598505021 992491935 /nfs/dbraw/zinc/49/19/35/992491935.db2.gz VPMUAZSWIUKFQU-UHFFFAOYSA-N -1 0 339.370 3.546 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1cccc(OC2CCCC2)c1 ZINC001591423356 992509116 /nfs/dbraw/zinc/50/91/16/992509116.db2.gz LYLBBNDUQVKBPP-KRWDZBQOSA-N -1 0 333.428 3.579 20 0 EHADRM CN(Cc1ccc(-c2ccc(Cl)cc2)o1)c1nccc(C(=O)[O-])n1 ZINC001598508950 992542425 /nfs/dbraw/zinc/54/24/25/992542425.db2.gz NREWLRCLFNUYOC-UHFFFAOYSA-N -1 0 343.770 3.725 20 0 EHADRM CC(C)Cc1c[nH]c(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)c1 ZINC001591475650 992589667 /nfs/dbraw/zinc/58/96/67/992589667.db2.gz BAMZXKRMEZHVPD-UHFFFAOYSA-N -1 0 335.429 3.744 20 0 EHADRM CC(C)Cc1ccc(C(=O)NCc2ccccc2CC(=O)[O-])s1 ZINC001591477169 992597444 /nfs/dbraw/zinc/59/74/44/992597444.db2.gz KDABQIVNPWBXKK-UHFFFAOYSA-N -1 0 331.437 3.504 20 0 EHADRM CC(C)Cc1ccc(CCCC(=O)NCC(C)(C)CC(=O)[O-])cc1 ZINC001591483205 992601088 /nfs/dbraw/zinc/60/10/88/992601088.db2.gz CAOILGAYOTZYJG-UHFFFAOYSA-N -1 0 333.472 3.825 20 0 EHADRM CC(C)Cc1ccc(CC(=O)NCC2(C(=O)[O-])CCCCC2)cc1 ZINC001591483344 992601977 /nfs/dbraw/zinc/60/19/77/992601977.db2.gz AWXSOACHZJKFFV-UHFFFAOYSA-N -1 0 331.456 3.579 20 0 EHADRM CC(C)Cc1ccc(CCCC(=O)N(CC(=O)[O-])CC(C)C)cc1 ZINC001591483445 992602924 /nfs/dbraw/zinc/60/29/24/992602924.db2.gz GMPDHEFKXPFTSJ-UHFFFAOYSA-N -1 0 333.472 3.777 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)N(C)C2(C(=O)[O-])CCCC2)cc1 ZINC001591483839 992605650 /nfs/dbraw/zinc/60/56/50/992605650.db2.gz NHSARGIWGIEPEY-UHFFFAOYSA-N -1 0 331.456 3.674 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)NC[C@H](CC(=O)[O-])C2CC2)c1 ZINC001591488676 992617988 /nfs/dbraw/zinc/61/79/88/992617988.db2.gz IVVXDVJZXMEHFJ-KDOFPFPSSA-N -1 0 331.456 3.606 20 0 EHADRM CC(C)Cc1nc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cs1 ZINC001591490934 992626258 /nfs/dbraw/zinc/62/62/58/992626258.db2.gz OGWSGXWSJUTTCL-BLLLJJGKSA-N -1 0 346.452 3.533 20 0 EHADRM CN(Cc1ccc(Cl)c(F)c1)c1ncc(C(=O)[O-])cc1Cl ZINC001598518141 992643398 /nfs/dbraw/zinc/64/33/98/992643398.db2.gz RKOFMWHUVSDGRY-UHFFFAOYSA-N -1 0 329.158 3.862 20 0 EHADRM CN(Cc1ccc(N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1)C(=O)OC(C)(C)C ZINC001598519094 992656636 /nfs/dbraw/zinc/65/66/36/992656636.db2.gz IIKABYXPMKZENK-GOEBONIOSA-N -1 0 348.443 3.719 20 0 EHADRM CC(C)Cn1cc(C(=O)NC2(C(=O)[O-])CCCCC2)c2ccccc21 ZINC001591520080 992685858 /nfs/dbraw/zinc/68/58/58/992685858.db2.gz CPDVYKUGKXPTBR-UHFFFAOYSA-N -1 0 342.439 3.815 20 0 EHADRM CN(Cc1ccc(OCC(=O)[O-])cc1)Cc1ccc(Cl)cc1F ZINC001598523402 992687881 /nfs/dbraw/zinc/68/78/81/992687881.db2.gz DCOKBQJEXAXNHI-UHFFFAOYSA-N -1 0 337.778 3.575 20 0 EHADRM CN(Cc1cccc(NC2CC(CC(=O)[O-])C2)c1)C(=O)OC(C)(C)C ZINC001598526213 992724580 /nfs/dbraw/zinc/72/45/80/992724580.db2.gz AMXCPNLRXJUQCH-UHFFFAOYSA-N -1 0 348.443 3.719 20 0 EHADRM CC(C)N(C(=O)CSCc1csc(C(=O)[O-])c1)C1CCCC1 ZINC001591543755 992728982 /nfs/dbraw/zinc/72/89/82/992728982.db2.gz SMIGDSDSWNEHPY-UHFFFAOYSA-N -1 0 341.498 3.859 20 0 EHADRM CN(Cc1coc(-c2cc(Cl)cc(Cl)c2)n1)C(C)(C)C(=O)[O-] ZINC001598533934 992825771 /nfs/dbraw/zinc/82/57/71/992825771.db2.gz QGOLRYBZIWIVCS-UHFFFAOYSA-N -1 0 343.210 3.943 20 0 EHADRM CN1CCCN(Cc2ccc(C(=O)[O-])cc2F)c2ccc(F)cc21 ZINC001598600868 993570562 /nfs/dbraw/zinc/57/05/62/993570562.db2.gz BXXOGMSXAXLWEM-UHFFFAOYSA-N -1 0 332.350 3.510 20 0 EHADRM COc1ccc(N(CCC(C)C)C(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC001599584479 993594132 /nfs/dbraw/zinc/59/41/32/993594132.db2.gz QOALECUVDOVXJK-UHFFFAOYSA-N -1 0 335.444 3.965 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@](C)(C(=O)[O-])C1)c1cccc(C2CC2)c1 ZINC001593064340 993598874 /nfs/dbraw/zinc/59/88/74/993598874.db2.gz SNBBKRAYAFNMAE-DJJJIMSYSA-N -1 0 330.428 3.521 20 0 EHADRM C[C@H](NC(=O)NC[C@@H](CC(=O)[O-])C1CC1)c1cccc2ccccc21 ZINC001593081113 993657008 /nfs/dbraw/zinc/65/70/08/993657008.db2.gz GAAFDVFCHKSIMU-XJKSGUPXSA-N -1 0 340.423 3.701 20 0 EHADRM COc1ccc(NC(=O)CCc2ccccc2C(=O)[O-])cc1SC ZINC001599591081 993683914 /nfs/dbraw/zinc/68/39/14/993683914.db2.gz LXEFPJZGWIDHHF-UHFFFAOYSA-N -1 0 345.420 3.687 20 0 EHADRM C[C@H](NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1csc2ccccc21 ZINC001593108087 993759763 /nfs/dbraw/zinc/75/97/63/993759763.db2.gz DDOABNNTTDKVFI-TUAOUCFPSA-N -1 0 332.425 3.515 20 0 EHADRM C[C@H](NC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)C(F)(F)F ZINC001593108256 993763382 /nfs/dbraw/zinc/76/33/82/993763382.db2.gz CPFGLGRIRRYOOE-QMMMGPOBSA-N -1 0 326.274 3.610 20 0 EHADRM C[C@H](NC(=O)Nc1cc(C(=O)[O-])cs1)C1CCC(F)(F)CC1 ZINC001593110115 993780690 /nfs/dbraw/zinc/78/06/90/993780690.db2.gz VGAYLFATFZRMEN-QMMMGPOBSA-N -1 0 332.372 3.782 20 0 EHADRM C[C@H](NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)[C@@H](C)c1ccccc1 ZINC001593112625 993788081 /nfs/dbraw/zinc/78/80/81/993788081.db2.gz OOETYWBTGPFFDX-MNOVXSKESA-N -1 0 348.349 3.977 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1)C1(C)CC1 ZINC001593115136 993798768 /nfs/dbraw/zinc/79/87/68/993798768.db2.gz KLSVMYDFGXNSOB-CYBMUJFWSA-N -1 0 345.443 3.685 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccc(Cl)c(F)c1 ZINC001593155491 993967321 /nfs/dbraw/zinc/96/73/21/993967321.db2.gz CANVUGZNTDGXDI-QMMMGPOBSA-N -1 0 339.725 3.807 20 0 EHADRM C[C@](NC(=O)c1ccc(C2CCC2)cc1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593159785 993987057 /nfs/dbraw/zinc/98/70/57/993987057.db2.gz MVQZUFYSNJMBKT-HXUWFJFHSA-N -1 0 341.382 3.823 20 0 EHADRM C[C@@H](NC(=O)c1ccsc1CC(=O)[O-])c1cccc(C2CC2)c1 ZINC001593183751 994081212 /nfs/dbraw/zinc/08/12/12/994081212.db2.gz NTKYQOCSLUHGAW-LLVKDONJSA-N -1 0 329.421 3.744 20 0 EHADRM C[C@@H](N[C@H](C)c1nc(-c2ccccc2)cs1)c1nc(C(=O)[O-])co1 ZINC001593203289 994186064 /nfs/dbraw/zinc/18/60/64/994186064.db2.gz DCCOXUZJKQKANQ-GHMZBOCLSA-N -1 0 343.408 3.908 20 0 EHADRM C[C@@H](N[C@@H](C)c1ncc(C(C)(C)C)o1)c1ccc(OCC(=O)[O-])cc1 ZINC001593203470 994186956 /nfs/dbraw/zinc/18/69/56/994186956.db2.gz FAYHYNWOLXHIQK-OLZOCXBDSA-N -1 0 346.427 3.847 20 0 EHADRM C[C@@H](N[C@H](C)c1ccc(OCC2CC2)c(F)c1)c1nc(C(=O)[O-])co1 ZINC001593203763 994190785 /nfs/dbraw/zinc/19/07/85/994190785.db2.gz HKLAPMNCGPOSOD-GHMZBOCLSA-N -1 0 348.374 3.713 20 0 EHADRM COc1ccc2c(c1)c(C(=O)Nc1ccsc1C(=O)[O-])c(C)n2C ZINC001599632633 994240937 /nfs/dbraw/zinc/24/09/37/994240937.db2.gz YLLAMBBBUMUKIY-UHFFFAOYSA-N -1 0 344.392 3.507 20 0 EHADRM COc1ccc2cc(CN[C@H](C)c3ncc(C(=O)[O-])s3)ccc2c1 ZINC001599634486 994267270 /nfs/dbraw/zinc/26/72/70/994267270.db2.gz OJTSXILVLBABHH-LLVKDONJSA-N -1 0 342.420 3.854 20 0 EHADRM COc1ccc2cc(/C=C\C(=O)OCC3(CC(=O)[O-])CC3)ccc2c1 ZINC001599634907 994272722 /nfs/dbraw/zinc/27/27/22/994272722.db2.gz IAPNGDPBCQATRW-CLTKARDFSA-N -1 0 340.375 3.660 20 0 EHADRM COc1ccc2cc(C(=O)NC3(C(=O)[O-])CCCCCC3)sc2c1 ZINC001599636785 994300500 /nfs/dbraw/zinc/30/05/00/994300500.db2.gz YTCKIFFFLHRUND-UHFFFAOYSA-N -1 0 347.436 3.817 20 0 EHADRM COc1cccc(-n2ccnc2SCc2ccc(C(=O)[O-])s2)c1 ZINC001599640491 994351470 /nfs/dbraw/zinc/35/14/70/994351470.db2.gz JXDPSQYWMJNDJX-UHFFFAOYSA-N -1 0 346.433 3.933 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1)C1=COCC1 ZINC000076766743 1015855057 /nfs/dbraw/zinc/85/50/57/1015855057.db2.gz TUDLUTULDAGKQO-UHFFFAOYSA-N -1 0 335.425 3.684 20 0 EHADRM COc1cccc(C(=O)Nc2cccc3cc(C(=O)[O-])sc32)c1F ZINC001599642688 994380879 /nfs/dbraw/zinc/38/08/79/994380879.db2.gz LCFHHCPMUFCQCK-UHFFFAOYSA-N -1 0 345.351 4.000 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)c1cccc2c1CCCC2 ZINC001599643192 994387571 /nfs/dbraw/zinc/38/75/71/994387571.db2.gz BCYNLZVWMZGAMO-UHFFFAOYSA-N -1 0 339.391 3.549 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1ccc(COC(C)C)cc1 ZINC001599643422 994390896 /nfs/dbraw/zinc/39/08/96/994390896.db2.gz GXPLBOFBGDPNGB-UHFFFAOYSA-N -1 0 344.363 3.538 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)Cc1ccc(C)cc1Cl ZINC001599644538 994406678 /nfs/dbraw/zinc/40/66/78/994406678.db2.gz CKFRJFXKIFLXFN-UHFFFAOYSA-N -1 0 347.798 3.561 20 0 EHADRM COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)c2cccc3ccccc32)c1 ZINC001599647620 994447422 /nfs/dbraw/zinc/44/74/22/994447422.db2.gz BZWILJAKJYVHKD-IBGZPJMESA-N -1 0 349.386 3.746 20 0 EHADRM COc1cccc([C@H](C(=O)[O-])N(C)C(=O)[C@H](C)CC2CCCCC2)c1 ZINC001599647617 994447438 /nfs/dbraw/zinc/44/74/38/994447438.db2.gz LPYRJFVHIPXGAB-RDTXWAMCSA-N -1 0 347.455 3.886 20 0 EHADRM COc1cccc([C@H](C(=O)[O-])N(C)C(=O)C[C@H]2CCCCC2(C)C)c1 ZINC001599648028 994453408 /nfs/dbraw/zinc/45/34/08/994453408.db2.gz OYCOOVJFAFCVIH-CRAIPNDOSA-N -1 0 347.455 3.886 20 0 EHADRM COc1cccc([C@H](C(=O)[O-])N(C)C(=O)CC2CCCCCC2)c1 ZINC001599648583 994461531 /nfs/dbraw/zinc/46/15/31/994461531.db2.gz ZLEBSBJPWUGSRN-GOSISDBHSA-N -1 0 333.428 3.640 20 0 EHADRM COc1cccc(/C(C)=C\C(=O)Nc2ccc(F)cc2C(=O)[O-])c1 ZINC001599654159 994551902 /nfs/dbraw/zinc/55/19/02/994551902.db2.gz ISRTVCPTPWWZDA-FLIBITNWSA-N -1 0 329.327 3.575 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)N(C)C2(C(=O)[O-])CCCC2)c1 ZINC001599654978 994563403 /nfs/dbraw/zinc/56/34/03/994563403.db2.gz GFMZLKSZECUYAR-OAHLLOKOSA-N -1 0 347.455 3.825 20 0 EHADRM COc1cccc(C2(C(=O)O[C@@H](C)c3ccc(C(=O)[O-])cc3)CC2)c1 ZINC001599661366 994661160 /nfs/dbraw/zinc/66/11/60/994661160.db2.gz HVKNLTODLNSRGF-ZDUSSCGKSA-N -1 0 340.375 3.729 20 0 EHADRM COc1cccc(C2(C(=O)O[C@@H](C)c3cc(C)c(C(=O)[O-])o3)CC2)c1 ZINC001599661500 994663002 /nfs/dbraw/zinc/66/30/02/994663002.db2.gz LQWMVGKUJDECOG-LBPRGKRZSA-N -1 0 344.363 3.631 20 0 EHADRM C[C@@H](NCc1cc(C(=O)[O-])no1)c1cc(Cl)cc(Cl)c1F ZINC001593289610 994664899 /nfs/dbraw/zinc/66/48/99/994664899.db2.gz VPTPPAKGRHHHJA-ZCFIWIBFSA-N -1 0 333.146 3.670 20 0 EHADRM C[C@H](NCc1cc(Cl)cc(Cl)c1N)c1ncc(C(=O)[O-])s1 ZINC001593293948 994688243 /nfs/dbraw/zinc/68/82/43/994688243.db2.gz ZQXDNAHSDXJIAG-LURJTMIESA-N -1 0 346.239 3.581 20 0 EHADRM C[C@@H](NCc1ccc(/C=C/C(=O)[O-])o1)c1nc(C(F)(F)F)cs1 ZINC001593296850 994699870 /nfs/dbraw/zinc/69/98/70/994699870.db2.gz QUZHMXFRABZQCK-WTSVBCDHSA-N -1 0 346.330 3.704 20 0 EHADRM COc1cccc(C[C@@H](C)CC(=O)Nc2c(C)csc2C(=O)[O-])c1 ZINC001599666387 994737259 /nfs/dbraw/zinc/73/72/59/994737259.db2.gz OJWYIADZYCNRCT-LLVKDONJSA-N -1 0 347.436 3.971 20 0 EHADRM COc1cccc(CC(=O)Nc2sc(C)cc2C(=O)[O-])c1Cl ZINC001599666547 994738966 /nfs/dbraw/zinc/73/89/66/994738966.db2.gz ZILUBEXBYGAMQC-UHFFFAOYSA-N -1 0 339.800 3.598 20 0 EHADRM C[C@@H](NCc1ccsc1C(=O)[O-])c1nc(C2CCCCC2)no1 ZINC001593311101 994777240 /nfs/dbraw/zinc/77/72/40/994777240.db2.gz NCQZBWUBKZRDNS-SNVBAGLBSA-N -1 0 335.429 3.728 20 0 EHADRM COc1cccc(CCC(=O)Nc2ccc(F)c(C(=O)[O-])c2C)c1F ZINC001599670724 994807635 /nfs/dbraw/zinc/80/76/35/994807635.db2.gz LKXSTFIRWOKQTG-UHFFFAOYSA-N -1 0 349.333 3.551 20 0 EHADRM COc1cccc(OC)c1SCCOc1ccccc1C(=O)[O-] ZINC001599682333 995002076 /nfs/dbraw/zinc/00/20/76/995002076.db2.gz ZSGFQFAYEIWJHE-UHFFFAOYSA-N -1 0 334.393 3.573 20 0 EHADRM C[C@H](Nc1cc(F)cc(OC(F)F)c1)c1ncc(C(=O)[O-])s1 ZINC001593360044 995022169 /nfs/dbraw/zinc/02/21/69/995022169.db2.gz NUNFEERPHHWQQQ-LURJTMIESA-N -1 0 332.303 3.755 20 0 EHADRM C[C@H](Nc1ccc(F)cc1OC(F)F)c1cncc(C(=O)[O-])c1 ZINC001593362224 995031081 /nfs/dbraw/zinc/03/10/81/995031081.db2.gz DSZRUQVPQFLZIQ-QMMMGPOBSA-N -1 0 326.274 3.693 20 0 EHADRM C[C@H](Nc1ccc(N(C)C(=O)OC(C)(C)C)cc1)[C@@H]1C[C@H]1C(=O)[O-] ZINC001593362430 995031634 /nfs/dbraw/zinc/03/16/34/995031634.db2.gz HIKRAURPDYMWKN-TUKIKUTGSA-N -1 0 334.416 3.579 20 0 EHADRM C[C@@H](Nc1ccc(N2CCCC2)c(F)c1)c1cncc(C(=O)[O-])c1 ZINC001593362766 995034304 /nfs/dbraw/zinc/03/43/04/995034304.db2.gz KTOGZVGUQQYDPP-GFCCVEGCSA-N -1 0 329.375 3.692 20 0 EHADRM COC(=O)[C@H](C)c1cccc(NCc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001598693143 995094992 /nfs/dbraw/zinc/09/49/92/995094992.db2.gz SODPKSZPTIWWJO-LLVKDONJSA-N -1 0 347.798 3.927 20 0 EHADRM CC(C)N(Cc1ccccn1)C(=O)c1cccc(Br)c1[O-] ZINC000536688233 1032132547 /nfs/dbraw/zinc/13/25/47/1032132547.db2.gz ZSIISIPECNQJPL-UHFFFAOYSA-N -1 0 349.228 3.601 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2CC[C@H](C(C)C)CC2)cc1 ZINC000683296058 1015933092 /nfs/dbraw/zinc/93/30/92/1015933092.db2.gz GHYMQSLBQVKMPV-ZVZYQTTQSA-N -1 0 347.455 3.790 20 0 EHADRM COC(=O)[C@@H](Nc1cccc(C(C)C)c1)c1cccc(C(=O)[O-])c1 ZINC001598712383 995363938 /nfs/dbraw/zinc/36/39/38/995363938.db2.gz JEEHGZIYFFILNJ-KRWDZBQOSA-N -1 0 327.380 3.834 20 0 EHADRM C[C@H](OC(=O)C(F)(F)c1cc(F)cc(F)c1)c1cc(C(=O)[O-])co1 ZINC001593490531 995455176 /nfs/dbraw/zinc/45/51/76/995455176.db2.gz DMDYWDNOIXQFMH-ZETCQYMHSA-N -1 0 346.232 3.652 20 0 EHADRM C[C@H](OC(=O)C(F)(F)c1ccc(F)cc1)c1ccc(C(=O)[O-])o1 ZINC001593491001 995459341 /nfs/dbraw/zinc/45/93/41/995459341.db2.gz JEAKLPNAFVFICV-QMMMGPOBSA-N -1 0 328.242 3.513 20 0 EHADRM C[C@H](OC(=O)CCc1ncc(C(C)(C)C)o1)c1cc(C(=O)[O-])co1 ZINC001593527087 995569591 /nfs/dbraw/zinc/56/95/91/995569591.db2.gz ARVCDXRDTUAVSQ-JTQLQIEISA-N -1 0 335.356 3.500 20 0 EHADRM C[C@H](OC(=O)c1cc(F)c(Cl)cc1F)c1ccc(C(=O)[O-])o1 ZINC001593564234 995655002 /nfs/dbraw/zinc/65/50/02/995655002.db2.gz HCWLSZAUXGLCJO-LURJTMIESA-N -1 0 330.670 3.827 20 0 EHADRM C[C@@H](OC(=O)c1ccc2c(c1)CCCCC2=O)c1ccc(C(=O)[O-])o1 ZINC001593585579 995702491 /nfs/dbraw/zinc/70/24/91/995702491.db2.gz JIUWSUVMBJGABN-LLVKDONJSA-N -1 0 342.347 3.805 20 0 EHADRM C[C@H](OC(=O)c1occc1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001593601254 995756189 /nfs/dbraw/zinc/75/61/89/995756189.db2.gz LHMXFYWNHXORFB-QMMMGPOBSA-N -1 0 328.242 3.915 20 0 EHADRM C[C@H](Oc1cc(Br)cc(C(=O)[O-])c1)C(=O)C(C)(C)C ZINC001593610661 995803467 /nfs/dbraw/zinc/80/34/67/995803467.db2.gz HAZSXMFSPWLEMY-QMMMGPOBSA-N -1 0 329.190 3.530 20 0 EHADRM CC(C)c1cccc(O[C@H](C)C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)c1 ZINC001593636268 995936880 /nfs/dbraw/zinc/93/68/80/995936880.db2.gz MCRKVQHDVQJEAE-CZUORRHYSA-N -1 0 335.444 3.583 20 0 EHADRM C[C@H](Oc1ccccc1)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001593640726 995947064 /nfs/dbraw/zinc/94/70/64/995947064.db2.gz NZGRQJKVCMEFSJ-ZDUSSCGKSA-N -1 0 335.359 3.944 20 0 EHADRM C[C@H](Oc1ccccc1)C(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-] ZINC001593640824 995947713 /nfs/dbraw/zinc/94/77/13/995947713.db2.gz RGDGGNOSHMQODV-VIFPVBQESA-N -1 0 337.734 3.583 20 0 EHADRM C[C@H](SCC(C)(C)C(=O)[O-])C(=O)Nc1cc(Cl)ccc1F ZINC001593656579 996026581 /nfs/dbraw/zinc/02/65/81/996026581.db2.gz IPZRWHAQIPBIMZ-QMMMGPOBSA-N -1 0 333.812 3.650 20 0 EHADRM CC(C)[C@@H](S[C@H](C)C(=O)[O-])C(=O)Nc1ccccc1C(F)(F)F ZINC001593659453 996035425 /nfs/dbraw/zinc/03/54/25/996035425.db2.gz TVAQEBGUJRBQOB-BXKDBHETSA-N -1 0 349.374 3.875 20 0 EHADRM C[C@@H](Sc1cc(C(=O)[O-])ncn1)c1cccc(Br)c1 ZINC001593664132 996048829 /nfs/dbraw/zinc/04/88/29/996048829.db2.gz HXPZBMCCIZTFON-MRVPVSSYSA-N -1 0 339.214 3.791 20 0 EHADRM C[C@H](Sc1ccc(C(=O)[O-])cc1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC001593664479 996052083 /nfs/dbraw/zinc/05/20/83/996052083.db2.gz VNCSALLCUZTTDI-RSUWNVLCSA-N -1 0 335.469 3.806 20 0 EHADRM C[C@@H](Sc1ccccc1-c1nnc([C@H]2CCCCO2)o1)C(=O)[O-] ZINC001593668298 996062757 /nfs/dbraw/zinc/06/27/57/996062757.db2.gz PPTDKBAWNNDNDB-ZYHUDNBSSA-N -1 0 334.397 3.543 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)OC[C@@H]1CC1(Cl)Cl)C(=O)[O-] ZINC001593673394 996084367 /nfs/dbraw/zinc/08/43/67/996084367.db2.gz KEMXAIWGEMQBNA-IUCAKERBSA-N -1 0 349.235 3.602 20 0 EHADRM C[C@@H](c1cc(F)ccc1F)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001593685904 996119694 /nfs/dbraw/zinc/11/96/94/996119694.db2.gz FEZRPYXSPRMOOA-NSHDSACASA-N -1 0 333.334 3.619 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc(C(=O)[O-])on1 ZINC001593693794 996146357 /nfs/dbraw/zinc/14/63/57/996146357.db2.gz QJRNBJWVALMALK-ZETCQYMHSA-N -1 0 343.166 3.513 20 0 EHADRM C[C@@H](c1ccccc1)N(C(=O)c1cncc(C(=O)[O-])c1)C1CCCC1 ZINC001593706272 996196317 /nfs/dbraw/zinc/19/63/17/996196317.db2.gz OVJULPCBXNSVFZ-AWEZNQCLSA-N -1 0 338.407 3.926 20 0 EHADRM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)c1csc(C(=O)[O-])n1 ZINC001593710604 996210479 /nfs/dbraw/zinc/21/04/79/996210479.db2.gz NOMGCBNOFZNIMS-GFCCVEGCSA-N -1 0 344.436 3.845 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C)C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001593713380 996220541 /nfs/dbraw/zinc/22/05/41/996220541.db2.gz MYEOKSDKOVAIGF-SKVAFPRGSA-N -1 0 333.771 3.864 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(C)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001593714346 996230229 /nfs/dbraw/zinc/23/02/29/996230229.db2.gz WZUSDHXREBJFSS-UQSGXBNBSA-N -1 0 333.771 3.864 20 0 EHADRM C[C@@H](c1nc(-c2cc(C(=O)[O-])co2)no1)[C@@H]1OCCc2sccc21 ZINC001593723716 996259673 /nfs/dbraw/zinc/25/96/73/996259673.db2.gz DAOCBWVGSKSABG-OQPBUACISA-N -1 0 346.364 3.507 20 0 EHADRM C[C@H](c1nc(C(=O)[O-])co1)N1CCC(c2cccc(Cl)c2)CC1 ZINC001593723914 996260455 /nfs/dbraw/zinc/26/04/55/996260455.db2.gz BUOHKMHMQOWSJO-LLVKDONJSA-N -1 0 334.803 3.967 20 0 EHADRM C[C@@H](c1nc(C(=O)[O-])co1)[S@](=O)Cc1ccc(Cl)c(Cl)c1 ZINC001593729651 996292640 /nfs/dbraw/zinc/29/26/40/996292640.db2.gz LHNTXKFRFBTCQN-MWAODPMSSA-N -1 0 348.207 3.690 20 0 EHADRM C[C@@H](c1ncc(C(=O)[O-])s1)N1C[C@@H]2CCCCN2c2ccccc21 ZINC001593731963 996305901 /nfs/dbraw/zinc/30/59/01/996305901.db2.gz LDFZGLBULGHRCJ-STQMWFEESA-N -1 0 343.452 3.781 20 0 EHADRM C[C@H](c1nnc(-c2ccccc2)o1)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001593738480 996348343 /nfs/dbraw/zinc/34/83/43/996348343.db2.gz VBZLODVJIFGVBD-CYBMUJFWSA-N -1 0 337.379 3.628 20 0 EHADRM C[C@@]1(C(=O)N2C[C@H](C(=O)[O-])Cc3ccccc32)CCCc2ccccc21 ZINC001593745664 996375580 /nfs/dbraw/zinc/37/55/80/996375580.db2.gz WUGYMWMJHCCIAP-VGOFRKELSA-N -1 0 349.430 3.571 20 0 EHADRM C[C@@]1(C(=O)NCC2(CC(=O)[O-])CCCCC2)CCCc2ccccc21 ZINC001593753691 996395172 /nfs/dbraw/zinc/39/51/72/996395172.db2.gz GAYFJWVCOBEEHW-HXUWFJFHSA-N -1 0 343.467 3.822 20 0 EHADRM C[C@]1(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CCCc2ccccc21 ZINC001593759931 996417735 /nfs/dbraw/zinc/41/77/35/996417735.db2.gz OLWVLMRPDSDHHE-IBGZPJMESA-N -1 0 345.345 3.896 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)CC2(CSc3ccccc3)CC2)C1 ZINC001593766428 996446456 /nfs/dbraw/zinc/44/64/56/996446456.db2.gz OFCXLAPWRYGZBB-SFHVURJKSA-N -1 0 347.480 3.662 20 0 EHADRM CC[C@@H](C)[C@@H](C)N(C(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C1CC1 ZINC000180756225 1016039081 /nfs/dbraw/zinc/03/90/81/1016039081.db2.gz GPBZDLDMDBDGSU-CHWSQXEVSA-N -1 0 345.418 3.756 20 0 EHADRM CC1(C)CC(C)(C)c2cc(NC(=O)N3CC[C@](C)(C(=O)[O-])C3)ccc21 ZINC001593792510 996509191 /nfs/dbraw/zinc/50/91/91/996509191.db2.gz HPOXGPNWQHKBPO-FQEVSTJZSA-N -1 0 344.455 3.974 20 0 EHADRM CC1(C)CC[C@H](CC(=O)N(c2ccccc2C(=O)[O-])C2CCC2)OC1 ZINC001593874437 996690603 /nfs/dbraw/zinc/69/06/03/996690603.db2.gz UBGRYOBRWYNISN-OAHLLOKOSA-N -1 0 345.439 3.866 20 0 EHADRM CC1(C)CC[C@H](C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[C@H](c2ccccc2)C1 ZINC001593874857 996692452 /nfs/dbraw/zinc/69/24/52/996692452.db2.gz QGNJOSLBDHGZHO-OWSLCNJRSA-N -1 0 343.467 3.966 20 0 EHADRM CC1(C)CC[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001593883768 996718726 /nfs/dbraw/zinc/71/87/26/996718726.db2.gz SLUGZZVXBHJJPD-STQMWFEESA-N -1 0 343.345 3.774 20 0 EHADRM CC1(C)CCN(C(=O)c2ccc(C(=O)[O-])cc2F)c2ccccc21 ZINC001593911362 996802161 /nfs/dbraw/zinc/80/21/61/996802161.db2.gz GFGHSOIWWPZMTA-UHFFFAOYSA-N -1 0 327.355 3.852 20 0 EHADRM COC[C@@H](C)NC(=O)Nc1c(-c2ccc(C)cc2)csc1C(=O)[O-] ZINC001599278110 996844656 /nfs/dbraw/zinc/84/46/56/996844656.db2.gz ZGIXIUGCZLAULF-LLVKDONJSA-N -1 0 348.424 3.578 20 0 EHADRM CC1(C)CCc2sc(NC(=O)Nc3cccc(CC(=O)[O-])c3)nc21 ZINC001593924312 996847206 /nfs/dbraw/zinc/84/72/06/996847206.db2.gz CHGJHQIWZKKHLT-UHFFFAOYSA-N -1 0 345.424 3.638 20 0 EHADRM COc1ccc(C(=O)Nc2c(C)c(C(=O)[O-])ccc2Cl)c(F)c1 ZINC001599485886 996848158 /nfs/dbraw/zinc/84/81/58/996848158.db2.gz NSTAULFMUSKEJG-UHFFFAOYSA-N -1 0 337.734 3.747 20 0 EHADRM COCc1c(Cl)cccc1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001599278270 996848805 /nfs/dbraw/zinc/84/88/05/996848805.db2.gz JWKYWUYRZNQCJJ-UHFFFAOYSA-N -1 0 348.786 3.758 20 0 EHADRM COc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2C(=O)[O-])cc1 ZINC001599485979 996850397 /nfs/dbraw/zinc/85/03/97/996850397.db2.gz VHXDYDAFMWWTME-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM COC[C@@H](NCc1cc(C(=O)[O-])ccc1F)c1cccc(Cl)c1 ZINC001599177153 996869865 /nfs/dbraw/zinc/86/98/65/996869865.db2.gz LMROGVZJWSJAGM-MRXNPFEDSA-N -1 0 337.778 3.655 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@H]2CCCc3sccc32)c1F ZINC001599489224 996908637 /nfs/dbraw/zinc/90/86/37/996908637.db2.gz LESIXNJDKWNJSL-JTQLQIEISA-N -1 0 349.383 3.653 20 0 EHADRM COCc1cc(NC(=O)N2CCC[C@H]2CC(C)C)cc(C(=O)[O-])c1 ZINC001599284609 996954442 /nfs/dbraw/zinc/95/44/42/996954442.db2.gz FSYJQKVFYHQCAW-INIZCTEOSA-N -1 0 334.416 3.574 20 0 EHADRM COc1cc(C(=O)OCc2ccc(C(=O)[O-])cc2)ccc1OC(C)C ZINC001599388439 996987133 /nfs/dbraw/zinc/98/71/33/996987133.db2.gz URFKLAPNHQHMBJ-UHFFFAOYSA-N -1 0 344.363 3.538 20 0 EHADRM COCc1cc(NC(=O)N2CCCC[C@@H]2C2CCC2)cc(C(=O)[O-])c1 ZINC001599286467 996987996 /nfs/dbraw/zinc/98/79/96/996987996.db2.gz YLSVOTKJMHJNPX-QGZVFWFLSA-N -1 0 346.427 3.718 20 0 EHADRM COCc1cc(NC(=O)c2cccc3ccsc32)cc(C(=O)[O-])c1 ZINC001599288732 997026956 /nfs/dbraw/zinc/02/69/56/997026956.db2.gz OBKSEHUEQBGXGU-UHFFFAOYSA-N -1 0 341.388 3.998 20 0 EHADRM COc1ccc(C(=O)[O-])c2c1CN(C(=O)[C@H](C)[C@@H](C)C(C)(C)C)CC2 ZINC001599496549 997028646 /nfs/dbraw/zinc/02/86/46/997028646.db2.gz GEVVASGYRKEURS-CHWSQXEVSA-N -1 0 347.455 3.596 20 0 EHADRM COCc1cc(NCc2ccccc2OCC2CC2)cc(C(=O)[O-])c1 ZINC001599289632 997042304 /nfs/dbraw/zinc/04/23/04/997042304.db2.gz JZAPYQUAOVJEPK-UHFFFAOYSA-N -1 0 341.407 3.932 20 0 EHADRM COCc1cc(NCc2c(Cl)ccnc2Cl)cc(C(=O)[O-])c1 ZINC001599289812 997045029 /nfs/dbraw/zinc/04/50/29/997045029.db2.gz OCNUGIIZQPWZQR-UHFFFAOYSA-N -1 0 341.194 3.845 20 0 EHADRM COc1cc(C)ccc1CNC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC001599393555 997082449 /nfs/dbraw/zinc/08/24/49/997082449.db2.gz ODTIWAHCWRMXSY-CYBMUJFWSA-N -1 0 342.395 3.513 20 0 EHADRM CC1(C)C[C@@H]1C(=O)Nc1c(OCc2ccccc2)cccc1C(=O)[O-] ZINC001593965588 997109348 /nfs/dbraw/zinc/10/93/48/997109348.db2.gz XRKCQPVBYQIXDE-OAHLLOKOSA-N -1 0 339.391 3.948 20 0 EHADRM COC1(CNC(=O)Nc2ccc(C)c(C(=O)[O-])c2)CCCCCC1 ZINC001599089116 997157508 /nfs/dbraw/zinc/15/75/08/997157508.db2.gz CIJGOSRANWPSFH-UHFFFAOYSA-N -1 0 334.416 3.554 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)[C@H]1CCCC(F)(F)C1 ZINC001599398400 997170893 /nfs/dbraw/zinc/17/08/93/997170893.db2.gz ZYGIFPZKTKWOKM-HWPRWLFBSA-N -1 0 340.322 3.524 20 0 EHADRM COCc1ccccc1/C=C(\C)COC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001599297602 997173307 /nfs/dbraw/zinc/17/33/07/997173307.db2.gz KXBILAWKYNLMDJ-ZBPMPNNZSA-N -1 0 346.423 3.671 20 0 EHADRM COc1cc(C=CC(=O)[O-])ccc1OCc1ccc2[nH]c(C)nc2c1 ZINC001599398838 997178052 /nfs/dbraw/zinc/17/80/52/997178052.db2.gz JBGXGRANOMQHMP-YVMONPNESA-N -1 0 338.363 3.557 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)C1(C)CCC(C)CC1 ZINC001599400349 997203217 /nfs/dbraw/zinc/20/32/17/997203217.db2.gz RYYOJYLZIPKGPW-FNORWQNLSA-N -1 0 332.396 3.915 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1ccc2c(c1)CCC2 ZINC001599400636 997209009 /nfs/dbraw/zinc/20/90/09/997209009.db2.gz TVPHEZSADMOJDR-POHAHGRESA-N -1 0 338.359 3.501 20 0 EHADRM CC1(C)[C@@H](CNC(=O)c2ccc(C(=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC001593987899 997235249 /nfs/dbraw/zinc/23/52/49/997235249.db2.gz IPXURJRQTUJDTP-RDJZCZTQSA-N -1 0 341.382 3.694 20 0 EHADRM COCc1sccc1C(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001599307222 997345742 /nfs/dbraw/zinc/34/57/42/997345742.db2.gz OTDXTIOLAWNWIY-UHFFFAOYSA-N -1 0 325.411 3.523 20 0 EHADRM CON(C(=O)c1ccc(-c2cccc(C(C)C)c2)o1)[C@H](C)CC(=O)[O-] ZINC001599311136 997416747 /nfs/dbraw/zinc/41/67/47/997416747.db2.gz JDMPWRAOZCSZDB-CYBMUJFWSA-N -1 0 345.395 3.937 20 0 EHADRM C[C@]1(CCNC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CC1(F)F ZINC001594008371 997433972 /nfs/dbraw/zinc/43/39/72/997433972.db2.gz UYKJXWUHZATAFH-ZDUSSCGKSA-N -1 0 332.734 3.595 20 0 EHADRM COC(=O)c1c[nH]c2cc(N[C@@H](C)CC(C)(C)CC(=O)[O-])ccc12 ZINC001598917894 997509791 /nfs/dbraw/zinc/50/97/91/997509791.db2.gz WFTRHTZIQRMINR-NSHDSACASA-N -1 0 332.400 3.646 20 0 EHADRM CON(Cc1cc(C(=O)[O-])ccc1Cl)[C@H](C)c1csc(C)n1 ZINC001599319180 997550988 /nfs/dbraw/zinc/55/09/88/997550988.db2.gz SESJSCYHNNNMCH-SECBINFHSA-N -1 0 340.832 3.928 20 0 EHADRM CO[C@@H](C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)c1ccccc1 ZINC001599319724 997560029 /nfs/dbraw/zinc/56/00/29/997560029.db2.gz LDYSYWVSEXBKEW-CQSZACIVSA-N -1 0 337.734 3.504 20 0 EHADRM COc1cc(Cl)c(F)c(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)c1 ZINC001599419443 997567858 /nfs/dbraw/zinc/56/78/58/997567858.db2.gz KGCHDHPKHPQZJU-UHFFFAOYSA-N -1 0 337.734 3.747 20 0 EHADRM COc1cc(Cl)ccc1-c1noc(Cc2cccc(C(=O)[O-])c2)n1 ZINC001599420294 997583160 /nfs/dbraw/zinc/58/31/60/997583160.db2.gz CZYKQLCJTFIOHZ-UHFFFAOYSA-N -1 0 344.754 3.688 20 0 EHADRM COc1ccc([C@@H](N[C@@H](C)c2cc3ccccc3o2)C(=O)[O-])cc1 ZINC001599528219 997600751 /nfs/dbraw/zinc/60/07/51/997600751.db2.gz OHQGHNBSRRPVDW-KPZWWZAWSA-N -1 0 325.364 3.918 20 0 EHADRM Cc1nc(C=Cc2cc(Cl)ccc2Cl)[nH]c(=O)c1CC(=O)[O-] ZINC000349115065 1016139188 /nfs/dbraw/zinc/13/91/88/1016139188.db2.gz WMKLDQRDGPQZRG-GORDUTHDSA-N -1 0 339.178 3.595 20 0 EHADRM CC1(CSCCCN2C(=O)CS/C2=C\C(=O)[O-])CCCCC1 ZINC001594038812 997643859 /nfs/dbraw/zinc/64/38/59/997643859.db2.gz GEVBVILNWNMNPO-UVTDQMKNSA-N -1 0 343.514 3.582 20 0 EHADRM Cn1cc(/C=C/C(=O)c2csc(C(=O)[O-])c2)c(-c2ccccc2)n1 ZINC000092850009 1016142440 /nfs/dbraw/zinc/14/24/40/1016142440.db2.gz QBPBLNVPLKWAON-BQYQJAHWSA-N -1 0 338.388 3.743 20 0 EHADRM CO[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1Cl ZINC001599116286 997658821 /nfs/dbraw/zinc/65/88/21/997658821.db2.gz WCTSQMPZRHGQJG-GZMMTYOYSA-N -1 0 346.210 3.835 20 0 EHADRM COc1ccc([C@@H](NCc2cc(C(=O)[O-])oc2C)c2ccco2)cc1 ZINC001599532563 997683080 /nfs/dbraw/zinc/68/30/80/997683080.db2.gz RPQWCQBYVRHTTI-GOSISDBHSA-N -1 0 341.363 3.767 20 0 EHADRM COCCCNC(=O)Nc1c(-c2ccc(C)cc2)csc1C(=O)[O-] ZINC001599227228 997781783 /nfs/dbraw/zinc/78/17/83/997781783.db2.gz QSCWHZNNFCULSA-UHFFFAOYSA-N -1 0 348.424 3.580 20 0 EHADRM COc1c(C)cccc1CN[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001599334437 997810229 /nfs/dbraw/zinc/81/02/29/997810229.db2.gz XAWBSFKVLQWIEW-HNNXBMFYSA-N -1 0 337.778 3.712 20 0 EHADRM COc1ccc([C@@H]2CCCN2[C@@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC001599539651 997811860 /nfs/dbraw/zinc/81/18/60/997811860.db2.gz NTCRKJLIOCXVHF-FZMZJTMJSA-N -1 0 332.425 3.748 20 0 EHADRM COc1cc(NC(=O)NC(CC(C)C)CC(C)C)ccc1C(=O)[O-] ZINC001599436912 997863499 /nfs/dbraw/zinc/86/34/99/997863499.db2.gz JRYDDZFPFSEXDW-UHFFFAOYSA-N -1 0 336.432 3.976 20 0 EHADRM COc1c(NC(=O)NCC2CCC(C(C)C)CC2)cccc1C(=O)[O-] ZINC001599339935 997905058 /nfs/dbraw/zinc/90/50/58/997905058.db2.gz AYDBWWDJNUTHST-UHFFFAOYSA-N -1 0 348.443 3.977 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)[C@H](C)c1ccsc1 ZINC001599545280 997912192 /nfs/dbraw/zinc/91/21/92/997912192.db2.gz XIEKFWKCFDRDAJ-VLWUPBBWSA-N -1 0 332.377 3.564 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)C[C@@H]1CCCC1(F)F ZINC001599545880 997922289 /nfs/dbraw/zinc/92/22/89/997922289.db2.gz KBZHLHINYYLENA-HWPRWLFBSA-N -1 0 340.322 3.524 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)C[C@H]1CCCC1(F)F ZINC001599545882 997922330 /nfs/dbraw/zinc/92/23/30/997922330.db2.gz KBZHLHINYYLENA-SMYYYNMVSA-N -1 0 340.322 3.524 20 0 EHADRM COc1c(NC(=O)NCC(C2CCC2)C2CCC2)cccc1C(=O)[O-] ZINC001599341462 997930339 /nfs/dbraw/zinc/93/03/39/997930339.db2.gz VFSVOUHCAWOVDQ-UHFFFAOYSA-N -1 0 346.427 3.731 20 0 EHADRM COc1c(NC(=O)N[C@H]2CCC[C@H]2C(C)(C)C)cccc1C(=O)[O-] ZINC001599341608 997932417 /nfs/dbraw/zinc/93/24/17/997932417.db2.gz SSPDZEGYHKUGBE-OLZOCXBDSA-N -1 0 334.416 3.730 20 0 EHADRM COc1cc(NC(=O)c2ccnc(C(=O)[O-])c2)c(C2CC2)cc1Cl ZINC001599442802 997957923 /nfs/dbraw/zinc/95/79/23/997957923.db2.gz MQUUZYPNYRURSW-UHFFFAOYSA-N -1 0 346.770 3.572 20 0 EHADRM CC1(c2ccccc2)CN(C(=O)Nc2cccc(CCC(=O)[O-])c2)C1 ZINC001594079067 997960810 /nfs/dbraw/zinc/96/08/10/997960810.db2.gz JJKVFRDOKIRTEW-UHFFFAOYSA-N -1 0 338.407 3.509 20 0 EHADRM COc1cc(N[C@H](C)[C@H]2C[C@@H]2C(=O)[O-])c(Cl)cc1Br ZINC001599443692 997972767 /nfs/dbraw/zinc/97/27/67/997972767.db2.gz XMAJALIDEJFVKV-PRJMDXOYSA-N -1 0 348.624 3.632 20 0 EHADRM COc1cc(OC(=O)/C=C/Sc2ccccc2)ccc1C(=O)[O-] ZINC001599445789 998007953 /nfs/dbraw/zinc/00/79/53/998007953.db2.gz MQPPNWUWEISUBW-MDZDMXLPSA-N -1 0 330.361 3.605 20 0 EHADRM COc1ccc(CC[C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001599553771 998055482 /nfs/dbraw/zinc/05/54/82/998055482.db2.gz VSFKEVHTDNZXRH-CYBMUJFWSA-N -1 0 342.395 3.536 20 0 EHADRM CC1=C(C(=O)[O-])[C@@H](c2ccc(-c3cccc(Cl)c3)s2)NC(=O)N1 ZINC001594095528 998067735 /nfs/dbraw/zinc/06/77/35/998067735.db2.gz SKQISHSZTXSSLV-CQSZACIVSA-N -1 0 348.811 3.781 20 0 EHADRM COc1ccc(CN(Cc2cc(C(=O)[O-])ccc2F)C2CC2)cc1 ZINC001599558249 998136229 /nfs/dbraw/zinc/13/62/29/998136229.db2.gz FEUUKDKZUTXEPX-UHFFFAOYSA-N -1 0 329.371 3.697 20 0 EHADRM COc1cc(OCc2csc(Br)c2)ccc1C(=O)[O-] ZINC001599457117 998206675 /nfs/dbraw/zinc/20/66/75/998206675.db2.gz WRYNPPRVHIXHQD-UHFFFAOYSA-N -1 0 343.198 3.796 20 0 EHADRM COC(=O)c1cc2ccc(OCCc3ccccc3C(=O)[O-])cc2o1 ZINC001598957719 998274114 /nfs/dbraw/zinc/27/41/14/998274114.db2.gz MKYKMKAUPDZTLF-UHFFFAOYSA-N -1 0 340.331 3.539 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC[C@@H](C)c2ccc(C)cc2)c1OC ZINC001599362322 998281375 /nfs/dbraw/zinc/28/13/75/998281375.db2.gz UTQNUNYIELQZBJ-CYBMUJFWSA-N -1 0 329.396 3.926 20 0 EHADRM COc1cc(C(=O)[O-])ccc1CCNC(=O)CCCC1CCCCC1 ZINC001599363302 998296404 /nfs/dbraw/zinc/29/64/04/998296404.db2.gz NONGDBCBIJCHCA-UHFFFAOYSA-N -1 0 347.455 3.803 20 0 EHADRM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)C[C@@H]2CCCCC2(C)C)c1 ZINC001598961456 998339191 /nfs/dbraw/zinc/33/91/91/998339191.db2.gz MUTHULHOAGHVCS-ZDUSSCGKSA-N -1 0 347.411 3.716 20 0 EHADRM C[C@@H]1[C@H](C(=O)N2c3ccccc3C[C@H](C)[C@@H]2C(=O)[O-])[C@H]1c1ccccc1 ZINC001594134355 998363721 /nfs/dbraw/zinc/36/37/21/998363721.db2.gz AUJZFPSVPMHQHV-SIDKUJJXSA-N -1 0 349.430 3.715 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)C/C=C/c1cccc(F)c1 ZINC001599369666 998390036 /nfs/dbraw/zinc/39/00/36/998390036.db2.gz LXJHQILBAGHCEC-HWKANZROSA-N -1 0 329.327 3.575 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N1CCC(C)(C(C)C)CC1 ZINC001599371973 998425103 /nfs/dbraw/zinc/42/51/03/998425103.db2.gz WWBDHDJTGSKNRX-UHFFFAOYSA-N -1 0 334.416 3.683 20 0 EHADRM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)CC1CCCCC1 ZINC001598967188 998443970 /nfs/dbraw/zinc/44/39/70/998443970.db2.gz CANOEEPGJLUBOZ-GFCCVEGCSA-N -1 0 347.411 3.716 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCC(=O)C12CC3CC(CC(C3)C1)C2 ZINC001599378767 998532708 /nfs/dbraw/zinc/53/27/08/998532708.db2.gz TZBFOIZPWQDGSF-UHFFFAOYSA-N -1 0 344.407 3.558 20 0 EHADRM COc1ccc(Br)c(OC[C@@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC001599476041 998533115 /nfs/dbraw/zinc/53/31/15/998533115.db2.gz WFOVKEPOSSLAQG-JQWIXIFHSA-N -1 0 343.217 3.728 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(OCC2CCCCC2)cc1 ZINC001594159150 998591294 /nfs/dbraw/zinc/59/12/94/998591294.db2.gz PTBCKOXRQJEAFB-KDOFPFPSSA-N -1 0 345.439 3.581 20 0 EHADRM COC(=O)c1ccc(NC(=O)C[C@H](C)CC(C)(C)C)cc1C(=O)[O-] ZINC001598979275 998639776 /nfs/dbraw/zinc/63/97/76/998639776.db2.gz ZEQHJNTVANXUEJ-NSHDSACASA-N -1 0 335.400 3.572 20 0 EHADRM C[C@H]1[C@H](Nc2ccc(N3CCSCC3)cc2)CC[C@H]1CC(=O)[O-] ZINC001594183903 998711672 /nfs/dbraw/zinc/71/16/72/998711672.db2.gz BVWNKVAQOLVDBM-JKIFEVAISA-N -1 0 334.485 3.541 20 0 EHADRM C[C@H]1CC(=O)N(C)c2ccc(N[C@@H](C(=O)[O-])c3ccccc3F)cc21 ZINC001594198164 998766917 /nfs/dbraw/zinc/76/69/17/998766917.db2.gz BKCAXXMKGWNUNP-BBATYDOGSA-N -1 0 342.370 3.534 20 0 EHADRM C[C@H]1C[C@H](C(=O)Nc2cccc3cc(C(=O)[O-])sc32)CCC1=O ZINC001594203014 998781958 /nfs/dbraw/zinc/78/19/58/998781958.db2.gz DAVDYVVKOBTHTM-GXSJLCMTSA-N -1 0 331.393 3.543 20 0 EHADRM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1C(=O)c1ccc(Cl)c2occc21 ZINC001594206033 998792930 /nfs/dbraw/zinc/79/29/30/998792930.db2.gz OCSHAYZYFCHDPY-NXEZZACHSA-N -1 0 335.787 3.800 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1C(=O)c1coc2ccc(Cl)cc21 ZINC001594207594 998800671 /nfs/dbraw/zinc/80/06/71/998800671.db2.gz GSUBUWGYHYNTOE-JGPRNRPPSA-N -1 0 335.787 3.800 20 0 EHADRM C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc(C(=O)[O-])s1 ZINC001594214583 998826841 /nfs/dbraw/zinc/82/68/41/998826841.db2.gz LRPFUFYUAIOEHT-JGVFFNPUSA-N -1 0 336.335 3.641 20 0 EHADRM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001594217530 998838410 /nfs/dbraw/zinc/83/84/10/998838410.db2.gz UWGXOWPOFQFKRR-XYPHTWIQSA-N -1 0 344.455 3.595 20 0 EHADRM C[C@H]1C[C@H](C(=O)NCCc2cc3ccc(C(=O)[O-])cc3o2)C[C@@H](C)C1 ZINC001594219493 998842677 /nfs/dbraw/zinc/84/26/77/998842677.db2.gz IXIUTAAUFSPQDZ-VIKVFOODSA-N -1 0 343.423 3.862 20 0 EHADRM C[C@H]1C[C@H](C)N(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)C1 ZINC001594230730 998877107 /nfs/dbraw/zinc/87/71/07/998877107.db2.gz OXXMFYNJNIUBTR-KBPBESRZSA-N -1 0 345.443 3.637 20 0 EHADRM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2cc(F)cc(C(=O)[O-])c2)C1 ZINC001594265758 999029468 /nfs/dbraw/zinc/02/94/68/999029468.db2.gz HXDITZXSSANWNM-GTNSWQLSSA-N -1 0 345.345 3.886 20 0 EHADRM C[C@H]1C[C@@H](Nc2ccc(Cl)cc2SCCC(=O)[O-])CCO1 ZINC001594266436 999033204 /nfs/dbraw/zinc/03/32/04/999033204.db2.gz PQJCNPSYCCQKKY-JQWIXIFHSA-N -1 0 329.849 3.886 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001594269626 999042091 /nfs/dbraw/zinc/04/20/91/999042091.db2.gz LGOLUKCRUCGMHY-TZMCWYRMSA-N -1 0 344.436 3.534 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C1 ZINC001594270040 999043254 /nfs/dbraw/zinc/04/32/54/999043254.db2.gz PAWOHTKHPDZIGW-VWPFQQQWSA-N -1 0 348.418 3.562 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CCC(=O)N2CCc3c2cccc3C(=O)[O-])o1 ZINC001594277219 999072450 /nfs/dbraw/zinc/07/24/50/999072450.db2.gz OAJFPFHUZBHYCS-LRDDRELGSA-N -1 0 339.391 3.623 20 0 EHADRM C[C@H]1CC2(CCC2)CN1C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001594283976 999100560 /nfs/dbraw/zinc/10/05/60/999100560.db2.gz NCDJDNGUFNSHNU-VIFPVBQESA-N -1 0 340.782 3.974 20 0 EHADRM CO[C@@H](C)c1nc(C)c(C(=O)OCc2cc(C(=O)[O-])ccc2C)s1 ZINC001599041233 999119236 /nfs/dbraw/zinc/11/92/36/999119236.db2.gz PWGYQVJSZADQPX-NSHDSACASA-N -1 0 349.408 3.523 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001594291917 999125744 /nfs/dbraw/zinc/12/57/44/999125744.db2.gz IDMWBFKKRBKQQQ-BFVZDQMLSA-N -1 0 338.354 3.848 20 0 EHADRM CC1CCC(C)(CNC(=O)N2CCc3c(cccc3C(=O)[O-])C2)CC1 ZINC001594296932 999144423 /nfs/dbraw/zinc/14/44/23/999144423.db2.gz YKXSYMLXMFXJDM-UHFFFAOYSA-N -1 0 344.455 3.669 20 0 EHADRM C[C@@H]1CC[C@@](NC(=O)C[C@H]2CC=CCC2)(C(=O)[O-])c2ccccc21 ZINC001594314351 999216498 /nfs/dbraw/zinc/21/64/98/999216498.db2.gz PZEMXKHLBRAKTL-SIFCLUCFSA-N -1 0 327.424 3.726 20 0 EHADRM C[C@@H]1CC[C@@](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)(C(=O)[O-])c2ccccc21 ZINC001594315215 999220293 /nfs/dbraw/zinc/22/02/93/999220293.db2.gz UUXAQZBBPSVDST-GAXJPBFUSA-N -1 0 341.451 3.806 20 0 EHADRM C[C@H]1CCC[C@@H](CNC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)C1 ZINC001594345767 999309551 /nfs/dbraw/zinc/30/95/51/999309551.db2.gz GGKLVIRXKAKOCE-NWDGAFQWSA-N -1 0 329.400 3.814 20 0 EHADRM C[C@H]1CCC[C@H](CNC(=O)Nc2ccc(C(=O)[O-])c3ccccc23)O1 ZINC001594347306 999315987 /nfs/dbraw/zinc/31/59/87/999315987.db2.gz ZCSHHZWRHYHCSI-QWHCGFSZSA-N -1 0 342.395 3.617 20 0 EHADRM C[C@H]1CCC[C@@H](N(C)C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC001594348309 999319613 /nfs/dbraw/zinc/31/96/13/999319613.db2.gz KRKAIHIPZKRVBV-NKKGCODLSA-N -1 0 330.428 3.917 20 0 EHADRM C[C@@H]1CCC[C@H](NC(=O)CSCc2ccccc2C(=O)[O-])[C@@H]1C ZINC001594351185 999332669 /nfs/dbraw/zinc/33/26/69/999332669.db2.gz XGSHINCKVFENEN-IOASZLSFSA-N -1 0 335.469 3.559 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N[C@@H]1CCC[C@H](C)C1 ZINC001594352879 999336740 /nfs/dbraw/zinc/33/67/40/999336740.db2.gz TXVWTEDNNMAPEJ-GXTWGEPZSA-N -1 0 334.416 3.872 20 0 EHADRM C[C@H]1CCC[C@H](OCc2cccc(NC(=O)NCCCC(=O)[O-])c2)C1 ZINC001594356178 999344398 /nfs/dbraw/zinc/34/43/98/999344398.db2.gz SPOKKKVGLRBNDJ-YOEHRIQHSA-N -1 0 348.443 3.768 20 0 EHADRM C[C@@H]1CCC[C@H]1CC(=O)N1CCCC[C@@H]1c1ccc(C(=O)[O-])n1C ZINC001594357081 999350101 /nfs/dbraw/zinc/35/01/01/999350101.db2.gz ITUZOVJSVCNXHC-IJEWVQPXSA-N -1 0 332.444 3.603 20 0 EHADRM C[C@H]1CCCC[C@H]1C(=O)Oc1ccc(Br)cc1C(=O)[O-] ZINC001594364324 999376743 /nfs/dbraw/zinc/37/67/43/999376743.db2.gz YIDHOOLOEXIIDW-GXSJLCMTSA-N -1 0 341.201 3.879 20 0 EHADRM C[C@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001594366144 999383711 /nfs/dbraw/zinc/38/37/11/999383711.db2.gz NEUWIEQBMJWGOC-KKBVYLPWSA-N -1 0 330.428 3.917 20 0 EHADRM C[C@H]1CCCCN(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC001594370883 999398631 /nfs/dbraw/zinc/39/86/31/999398631.db2.gz VGBMMDBGWXZMCD-AWEZNQCLSA-N -1 0 345.443 3.639 20 0 EHADRM C[C@H]1CCCCN1C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC001594375099 999414464 /nfs/dbraw/zinc/41/44/64/999414464.db2.gz XNBKGRWJQBAWKK-KSSFIOAISA-N -1 0 340.423 3.940 20 0 EHADRM C[C@@H]1CCCN(C(=O)Nc2cc(-c3ccncc3)sc2C(=O)[O-])C1 ZINC001594377781 999424086 /nfs/dbraw/zinc/42/40/86/999424086.db2.gz HDSJPYNBPCEKNC-LLVKDONJSA-N -1 0 345.424 3.772 20 0 EHADRM C[C@H]1CCN(C(=O)/C=C\c2cc(C(=O)[O-])co2)c2ccccc2S1 ZINC001594396381 999494011 /nfs/dbraw/zinc/49/40/11/999494011.db2.gz LHKICSDRGKJAEC-DGMVEKRQSA-N -1 0 343.404 3.909 20 0 EHADRM C[C@H]1CCN(C(=O)NCc2ccc(C(=O)[O-])s2)[C@@H]1c1ccccc1 ZINC001594402823 999510057 /nfs/dbraw/zinc/51/00/57/999510057.db2.gz JIMVVAVQHHMFJE-LRDDRELGSA-N -1 0 344.436 3.739 20 0 EHADRM C[C@H]1CCN(Cc2cnc(C(=O)[O-])cn2)c2cc(Cl)ccc2S1 ZINC001594426691 999595047 /nfs/dbraw/zinc/59/50/47/999595047.db2.gz MNHPCJITSFYLTE-JTQLQIEISA-N -1 0 349.843 3.719 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)cc1C ZINC000655574518 1016363488 /nfs/dbraw/zinc/36/34/88/1016363488.db2.gz UGVWESHJOIFFKK-LLVKDONJSA-N -1 0 341.864 3.925 20 0 EHADRM Cc1cc2occ(C(=O)N[C@@H](C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)c2cc1C ZINC000655575428 1016373075 /nfs/dbraw/zinc/37/30/75/1016373075.db2.gz INWWHOQVWQRVHN-VBNZEHGJSA-N -1 0 343.423 3.915 20 0 EHADRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)c1C ZINC000655578211 1016406355 /nfs/dbraw/zinc/40/63/55/1016406355.db2.gz NSELTCAODBTKBJ-LLVKDONJSA-N -1 0 341.864 3.925 20 0 EHADRM Cc1ccc(C(=O)N=c2nc(-c3ccsc3)[n-]s2)c(C2CC2)n1 ZINC000653289816 1016449768 /nfs/dbraw/zinc/44/97/68/1016449768.db2.gz RTGXFNBWXWSPOE-UHFFFAOYSA-N -1 0 342.449 3.522 20 0 EHADRM C[C@@H](NC(=O)C[C@H](C)c1cccc(F)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655579809 1016457858 /nfs/dbraw/zinc/45/78/58/1016457858.db2.gz YXRZTNQBLNJGTI-SHUKQUCYSA-N -1 0 335.419 3.571 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2onc(C3CCCCC3)c2C)sn1 ZINC000634657851 1016472845 /nfs/dbraw/zinc/47/28/45/1016472845.db2.gz DVYLZLIWSDSIPW-UHFFFAOYSA-N -1 0 341.458 3.596 20 0 EHADRM O=S(=O)([N-]C1(C(F)(F)F)CCCCC1)c1c(F)cccc1F ZINC000510222621 1016497562 /nfs/dbraw/zinc/49/75/62/1016497562.db2.gz PXNLPXSFYMCFIT-UHFFFAOYSA-N -1 0 343.317 3.508 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCCC[C@@H]1c1ccccc1)C(=O)[O-] ZINC000424422506 1016516258 /nfs/dbraw/zinc/51/62/58/1016516258.db2.gz MXSQEHGNCMGJDZ-IAGOWNOFSA-N -1 0 332.444 3.670 20 0 EHADRM Cc1ccc(-c2nn(C)cc2CNc2cc(C(=O)[O-])c(C)cc2C)o1 ZINC000647646646 1016575940 /nfs/dbraw/zinc/57/59/40/1016575940.db2.gz HJVARODECJVQES-UHFFFAOYSA-N -1 0 339.395 3.916 20 0 EHADRM C[C@@H](CCO)N(C)C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000652959421 1016630671 /nfs/dbraw/zinc/63/06/71/1016630671.db2.gz DDBKFNVUPYXOFN-LBPRGKRZSA-N -1 0 333.815 3.556 20 0 EHADRM CCCCN(C(=O)NCC1(C(=O)[O-])CCC1)[C@@H](C)c1ccccc1 ZINC000659420314 1016676547 /nfs/dbraw/zinc/67/65/47/1016676547.db2.gz LLESIYXWVCGBFI-HNNXBMFYSA-N -1 0 332.444 3.814 20 0 EHADRM O=C(c1nn(-c2ccccc2F)cc1[O-])N1CCC[C@@H]2CCCC[C@@H]21 ZINC000408006092 1016863409 /nfs/dbraw/zinc/86/34/09/1016863409.db2.gz XTZFNDJILRGFOW-ZFWWWQNUSA-N -1 0 343.402 3.512 20 0 EHADRM Cc1ccc2cccc(S(=O)(=O)[N-]c3cccc4cc[nH]c43)c2n1 ZINC000547822159 1016877535 /nfs/dbraw/zinc/87/75/35/1016877535.db2.gz MLKASBLZFSOZTG-UHFFFAOYSA-N -1 0 337.404 3.825 20 0 EHADRM COc1ccc(-c2ccccn2)nc1Nc1ccc(C(=O)[O-])c(C)c1 ZINC001211647950 1016931674 /nfs/dbraw/zinc/93/16/74/1016931674.db2.gz NBMFQXXSQCIQNW-UHFFFAOYSA-N -1 0 335.363 3.902 20 0 EHADRM CCO[C@@H](C)c1nc(CC(=O)Nc2cccc(Cl)c2[O-])cs1 ZINC000340319997 1016937785 /nfs/dbraw/zinc/93/77/85/1016937785.db2.gz XACVZSKTGNUGMP-VIFPVBQESA-N -1 0 340.832 3.781 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000659763157 1016982419 /nfs/dbraw/zinc/98/24/19/1016982419.db2.gz ATEBHIBVVATRKG-KYJSFNMBSA-N -1 0 327.424 3.527 20 0 EHADRM CC(C)C[C@@H](NC(=O)NCCCCCC(=O)[O-])c1cccs1 ZINC000414608531 1017008587 /nfs/dbraw/zinc/00/85/87/1017008587.db2.gz IAGDRYZJNKZJSN-CYBMUJFWSA-N -1 0 326.462 3.780 20 0 EHADRM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)NCCCCCC(=O)[O-])cc1 ZINC000414617070 1017062253 /nfs/dbraw/zinc/06/22/53/1017062253.db2.gz XWSNPHXIJLYLFG-MSOLQXFVSA-N -1 0 346.471 3.918 20 0 EHADRM CCCC[C@H](NC(=O)N[C@@H](C)c1cccc2ccccc21)C(=O)[O-] ZINC000580231963 1017063950 /nfs/dbraw/zinc/06/39/50/1017063950.db2.gz RLONNEMCHXYCMJ-GUYCJALGSA-N -1 0 328.412 3.843 20 0 EHADRM CC1(C)CN(C(=O)NCCCCCC(=O)[O-])c2cccc(Cl)c21 ZINC000414619469 1017065499 /nfs/dbraw/zinc/06/54/99/1017065499.db2.gz BOMLNLFZMMJDJD-UHFFFAOYSA-N -1 0 338.835 3.792 20 0 EHADRM CCOCc1cccc(NC(=O)c2cc(F)c(F)c([O-])c2F)c1 ZINC000183541283 1032178153 /nfs/dbraw/zinc/17/81/53/1032178153.db2.gz MPMPFELPAINECZ-UHFFFAOYSA-N -1 0 325.286 3.598 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cccnc2C)c(Cl)c1Cl ZINC000080764575 1032193756 /nfs/dbraw/zinc/19/37/56/1032193756.db2.gz WOPNSCVCKBXMBL-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CCC[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)C1CCCC1 ZINC001212129078 1032195285 /nfs/dbraw/zinc/19/52/85/1032195285.db2.gz SADCAOFZGQUFDW-CQSZACIVSA-N -1 0 335.391 3.741 20 0 EHADRM Cc1ccc(NC(=O)c2cccc(Br)c2[O-])c(C)c1O ZINC000536732320 1032205207 /nfs/dbraw/zinc/20/52/07/1032205207.db2.gz AZWBMXRMWKYSRX-UHFFFAOYSA-N -1 0 336.185 3.729 20 0 EHADRM CC[C@@H](CNC(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000584387405 1032327772 /nfs/dbraw/zinc/32/77/72/1032327772.db2.gz DBVZLBKYTNRRDW-MAUKXSAKSA-N -1 0 340.423 3.648 20 0 EHADRM Cc1ncoc1-c1ccc(NC(=O)CC2(CC(=O)[O-])CCC2)cc1 ZINC000905130045 1032357812 /nfs/dbraw/zinc/35/78/12/1032357812.db2.gz OBWOAVHEIFQLJU-UHFFFAOYSA-N -1 0 328.368 3.624 20 0 EHADRM CCC(CC)c1nnc([N-]S(=O)(=O)c2ccc(C)s2)s1 ZINC000083955958 1032408347 /nfs/dbraw/zinc/40/83/47/1032408347.db2.gz YRDIFHQWSNGNLT-UHFFFAOYSA-N -1 0 331.488 3.612 20 0 EHADRM Cc1ccc([C@H](C)CNC(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000579912053 1017099654 /nfs/dbraw/zinc/09/96/54/1017099654.db2.gz XCTHGQUXSMSQQU-CRAIPNDOSA-N -1 0 340.423 3.566 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)c(F)c1 ZINC000537154477 1032539380 /nfs/dbraw/zinc/53/93/80/1032539380.db2.gz OTTVAOIJNOJBHD-UHFFFAOYSA-N -1 0 330.384 3.930 20 0 EHADRM CC(C)Sc1ccccc1NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-] ZINC000601998827 1032586897 /nfs/dbraw/zinc/58/68/97/1032586897.db2.gz IQKGFJQTCRGFKT-MNOVXSKESA-N -1 0 327.471 3.720 20 0 EHADRM CSc1cc(NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])ccc1Cl ZINC000601999204 1032589118 /nfs/dbraw/zinc/58/91/18/1032589118.db2.gz MEXAQOIJENAFHW-SFYZADRCSA-N -1 0 333.862 3.595 20 0 EHADRM N#CCC[C@@H](NC(=O)CC1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC000158387348 1032598889 /nfs/dbraw/zinc/59/88/89/1032598889.db2.gz CKFRUYUMHYAUDE-MRXNPFEDSA-N -1 0 328.412 3.573 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1nc(C2CC2)n2ccccc12 ZINC000091079735 1032605176 /nfs/dbraw/zinc/60/51/76/1032605176.db2.gz QPAXRRVSJAQWTL-UHFFFAOYSA-N -1 0 327.771 3.823 20 0 EHADRM Cc1cc(NC(=O)c2ccccc2N2CCCCC2)ccc1C(=O)[O-] ZINC000761235521 1032609442 /nfs/dbraw/zinc/60/94/42/1032609442.db2.gz YGSIXEBEVVGNOL-UHFFFAOYSA-N -1 0 338.407 3.936 20 0 EHADRM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2cc(C)c(C)s2)c1 ZINC000091016451 1032614402 /nfs/dbraw/zinc/61/44/02/1032614402.db2.gz IBCKCYCGRKEJCK-LLVKDONJSA-N -1 0 325.455 3.873 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1)C1=CCCC1 ZINC000761004955 1032626440 /nfs/dbraw/zinc/62/64/40/1032626440.db2.gz YOZSBYISLNEYOH-UHFFFAOYSA-N -1 0 333.453 3.650 20 0 EHADRM CC(C(=O)N(C)C1CCCCC1)=S([O-])c1nc(C(C)C)cs1 ZINC000593002721 1032636862 /nfs/dbraw/zinc/63/68/62/1032636862.db2.gz ULNRWTRQJHCBTF-IPQOISQHSA-N -1 0 342.530 3.554 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)CCCCC(=O)[O-])c(F)c1 ZINC000655596807 1017137835 /nfs/dbraw/zinc/13/78/35/1017137835.db2.gz LDPQPIPDJRKBFS-UHFFFAOYSA-N -1 0 325.380 3.834 20 0 EHADRM CN(CC(C)(C)C)C(=O)Nc1cc(Br)cc(C(=O)[O-])c1 ZINC000147462597 1017158322 /nfs/dbraw/zinc/15/83/22/1017158322.db2.gz KFGUORDHCRAWON-UHFFFAOYSA-N -1 0 343.221 3.657 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCC(Cc2ccccc2)CC1 ZINC000183294466 1017265962 /nfs/dbraw/zinc/26/59/62/1017265962.db2.gz WRRSGXKHMVOIRU-UHFFFAOYSA-N -1 0 331.362 3.765 20 0 EHADRM CC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000183462636 1017335654 /nfs/dbraw/zinc/33/56/54/1017335654.db2.gz SWSKPMGLLJKRTM-UHFFFAOYSA-N -1 0 340.713 3.535 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NCc2ncc(C(C)(C)C)s2)cc1 ZINC000669470587 1032691623 /nfs/dbraw/zinc/69/16/23/1032691623.db2.gz XKGHGUFZOPRRIO-AWEZNQCLSA-N -1 0 348.468 3.755 20 0 EHADRM O=C(Nc1ccc2c(c1)OCCCO2)c1cc(F)c([O-])c(Cl)c1 ZINC000683578516 1017482245 /nfs/dbraw/zinc/48/22/45/1017482245.db2.gz ICMQULBBNQIDBA-UHFFFAOYSA-N -1 0 337.734 3.598 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2Oc2ccccc2)nc1 ZINC000238044621 1017497847 /nfs/dbraw/zinc/49/78/47/1017497847.db2.gz IYPQGPWJCSRCFC-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM C[C@H](CNC(=O)N(C)[C@@H](C)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000655884301 1017856550 /nfs/dbraw/zinc/85/65/50/1017856550.db2.gz FPWUPHNYBPJCCB-CABCVRRESA-N -1 0 340.423 3.777 20 0 EHADRM Cc1cc(Nc2cnc3ccc(Br)cn23)ccc1C(=O)[O-] ZINC001211649915 1017877922 /nfs/dbraw/zinc/87/79/22/1017877922.db2.gz FZVNHYBPKHKCFN-UHFFFAOYSA-N -1 0 346.184 3.847 20 0 EHADRM C[C@@H](NC(=O)N1CCC(C(C)(C)C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655902313 1017882290 /nfs/dbraw/zinc/88/22/90/1017882290.db2.gz KACCQPAAQQLZHZ-VHDGCEQUSA-N -1 0 338.492 3.590 20 0 EHADRM Cc1ccc([C@@H](C)N(C)C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655908999 1017906332 /nfs/dbraw/zinc/90/63/32/1017906332.db2.gz YLXMKBAWCSGOHI-HDEZJCGLSA-N -1 0 346.471 3.833 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655909034 1017907456 /nfs/dbraw/zinc/90/74/56/1017907456.db2.gz YLXMKBAWCSGOHI-NXNVCVFFSA-N -1 0 346.471 3.833 20 0 EHADRM COc1nccc(Nc2ccc(C(=O)[O-])c(C)c2)c1Br ZINC001211650135 1018004239 /nfs/dbraw/zinc/00/42/39/1018004239.db2.gz QUBOYCGJALPKGP-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM O=C([O-])c1coc(CN2CCc3c(cccc3C(F)(F)F)C2)c1 ZINC000528748738 1032738011 /nfs/dbraw/zinc/73/80/11/1032738011.db2.gz LCAPKQPXIGMLIJ-UHFFFAOYSA-N -1 0 325.286 3.555 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1cc(C)n(C2CCCCC2)n1 ZINC000580020896 1018137212 /nfs/dbraw/zinc/13/72/12/1018137212.db2.gz BMCIZWAONXDQFO-UHFFFAOYSA-N -1 0 349.456 3.506 20 0 EHADRM CC[C@H](C)[C@H]1CCCCN1C(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000606555307 1032748785 /nfs/dbraw/zinc/74/87/85/1032748785.db2.gz AOCARHGBFDQGES-NWDGAFQWSA-N -1 0 334.445 3.653 20 0 EHADRM C/C(=C/c1ccccc1Cl)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000761375322 1032749866 /nfs/dbraw/zinc/74/98/66/1032749866.db2.gz HWQISWAPCONSDA-BENRWUELSA-N -1 0 329.783 3.758 20 0 EHADRM O=C(c1c(F)ccc(O)c1F)N1CCC(c2cccc(F)c2)CC1 ZINC000377714031 1018235471 /nfs/dbraw/zinc/23/54/71/1018235471.db2.gz DHJHIBJQHJIUEP-UHFFFAOYSA-N -1 0 335.325 3.829 20 0 EHADRM CCC[C@](C)(NC(=O)Nc1ccc(-c2csc(C)n2)cc1)C(=O)[O-] ZINC000580031112 1018240634 /nfs/dbraw/zinc/24/06/34/1018240634.db2.gz BOPBVRSOOZRUCW-KRWDZBQOSA-N -1 0 347.440 3.883 20 0 EHADRM c1ccc(-c2noc(=N[C@@H](c3ccccc3)c3ccccn3)[n-]2)cc1 ZINC000597895488 1032755395 /nfs/dbraw/zinc/75/53/95/1032755395.db2.gz PHKSYYDBRCZMKU-SFHVURJKSA-N -1 0 328.375 3.755 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccco3)s2)cc1 ZINC000471506754 1018402995 /nfs/dbraw/zinc/40/29/95/1018402995.db2.gz JAVDWFBKLRTEPK-UHFFFAOYSA-N -1 0 349.437 3.551 20 0 EHADRM CC(C)CN=c1[n-]nc(SCCO[C@H]2CCCC[C@@H]2C)s1 ZINC000514434819 1018473604 /nfs/dbraw/zinc/47/36/04/1018473604.db2.gz RVMSLKDNHKFIBR-STQMWFEESA-N -1 0 329.535 3.715 20 0 EHADRM Cn1cc(-c2ccc(CN=c3[n-]nc(C4CCCCC4)o3)s2)cn1 ZINC000584541884 1018536264 /nfs/dbraw/zinc/53/62/64/1018536264.db2.gz LGXMEWLWZYFZBJ-UHFFFAOYSA-N -1 0 343.456 3.613 20 0 EHADRM COc1ccnc([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)c1 ZINC000340587319 1018595790 /nfs/dbraw/zinc/59/57/90/1018595790.db2.gz WFKQTUJHZDNUKL-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CC(C)[C@@H]1N(C(=O)N=c2nc(-c3ccsc3)[n-]s2)CC1(C)C ZINC000580159765 1018721382 /nfs/dbraw/zinc/72/13/82/1018721382.db2.gz MHJUCNJKHGWTEW-NSHDSACASA-N -1 0 336.486 3.587 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1ccc(SC(F)F)cc1 ZINC000047215181 1018797625 /nfs/dbraw/zinc/79/76/25/1018797625.db2.gz RHSCRADPDATVAX-UHFFFAOYSA-N -1 0 345.392 3.811 20 0 EHADRM CCOc1ccc(/C=C/C(=O)c2cccc(O[C@@H](C)C(=O)[O-])c2)cc1 ZINC000062692794 1032787945 /nfs/dbraw/zinc/78/79/45/1032787945.db2.gz BMBDTWWIGFVNSQ-TZIYXEQSSA-N -1 0 340.375 3.833 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)/C=C(/C)c1ccccc1C(F)(F)F ZINC000237052350 1018851274 /nfs/dbraw/zinc/85/12/74/1018851274.db2.gz SRVMVBITVYYGJW-UCQJPZFISA-N -1 0 343.345 3.820 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 ZINC000237057464 1018920229 /nfs/dbraw/zinc/92/02/29/1018920229.db2.gz DXXHNJHURRKFHH-ODXCJYRJSA-N -1 0 342.439 3.666 20 0 EHADRM CC(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)N(C)CC(F)(F)F)cc1 ZINC000576412095 1018968376 /nfs/dbraw/zinc/96/83/76/1018968376.db2.gz PAGUDOVAQMBXAN-CYBMUJFWSA-N -1 0 346.349 3.530 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000261764194 1019001555 /nfs/dbraw/zinc/00/15/55/1019001555.db2.gz WDRRDOUJPRAUIF-UHFFFAOYSA-N -1 0 333.359 3.645 20 0 EHADRM C[C@H]1c2ccccc2OCCN1C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC001167379012 1019021800 /nfs/dbraw/zinc/02/18/00/1019021800.db2.gz JKYAOYMREXRCRA-NSHDSACASA-N -1 0 340.404 3.712 20 0 EHADRM Cc1cccc(Oc2ccc(NC(=O)C(C)(C)C(=O)[O-])cn2)c1C ZINC000580328918 1019040050 /nfs/dbraw/zinc/04/00/50/1019040050.db2.gz LYOSDUKFLVQBBO-UHFFFAOYSA-N -1 0 328.368 3.540 20 0 EHADRM Cc1nnc([C@@H](C)Sc2n[n-]c(=Nc3ccccc3)s2)s1 ZINC000340647316 1019067477 /nfs/dbraw/zinc/06/74/77/1019067477.db2.gz CFQJPAJOOXNXOB-MRVPVSSYSA-N -1 0 335.483 3.717 20 0 EHADRM O=C([O-])c1ccccc1Nc1cccn2c(Br)cnc12 ZINC001210969628 1019151262 /nfs/dbraw/zinc/15/12/62/1019151262.db2.gz NIQHBPGAWFSAGT-UHFFFAOYSA-N -1 0 332.157 3.539 20 0 EHADRM COc1ccc(C(=O)[O-])cc1NCc1nc2c(s1)C[C@H](C)CC2 ZINC000340676337 1019159829 /nfs/dbraw/zinc/15/98/29/1019159829.db2.gz INEWRVHGLXMASC-SNVBAGLBSA-N -1 0 332.425 3.587 20 0 EHADRM Nc1ccc(F)c(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)c1 ZINC001211835012 1019207667 /nfs/dbraw/zinc/20/76/67/1019207667.db2.gz PEQSUJKWUISARH-UHFFFAOYSA-N -1 0 332.356 3.551 20 0 EHADRM CC[C@@H]1CCC[C@@H](NC(=O)N=c2[n-]nc(Cc3ccccc3)s2)C1 ZINC000607193993 1019248001 /nfs/dbraw/zinc/24/80/01/1019248001.db2.gz FANDBEWJQFYPFR-UKRRQHHQSA-N -1 0 344.484 3.641 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N2CCC=C(C)C2)s1)c1ccccc1 ZINC000580396648 1019269770 /nfs/dbraw/zinc/26/97/70/1019269770.db2.gz YSKNQJWRMCEFRJ-OAHLLOKOSA-N -1 0 342.468 3.686 20 0 EHADRM CSc1cc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)ccc1C ZINC001167939390 1019290268 /nfs/dbraw/zinc/29/02/68/1019290268.db2.gz UQKHUPREEBZJTL-UHFFFAOYSA-N -1 0 349.392 3.802 20 0 EHADRM Cc1cn([C@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1cccs1 ZINC000471580040 1019426712 /nfs/dbraw/zinc/42/67/12/1019426712.db2.gz DWDIXXYVNZTTLM-CYBMUJFWSA-N -1 0 347.465 3.663 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1sc2ccccc2c1Cl)C(=O)[O-] ZINC000087477898 1019431702 /nfs/dbraw/zinc/43/17/02/1019431702.db2.gz LHBRGZNFLPISAB-SNVBAGLBSA-N -1 0 325.817 3.641 20 0 EHADRM Cc1csc([C@@H](C)NC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)n1 ZINC000340698009 1019443380 /nfs/dbraw/zinc/44/33/80/1019443380.db2.gz OKWCQOCIHXMSDV-SJKOYZFVSA-N -1 0 338.473 3.690 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1nc2ccccc2n1C1CCCC1 ZINC000656233518 1019480552 /nfs/dbraw/zinc/48/05/52/1019480552.db2.gz YFTLONRDRZDPQY-LBPRGKRZSA-N -1 0 329.400 3.591 20 0 EHADRM C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)[C@@H]3CC[C@H]3C(=O)[O-])c2)C1 ZINC000262182061 1019558242 /nfs/dbraw/zinc/55/82/42/1019558242.db2.gz RAHRRZZMHBFLIS-BVPBIZIASA-N -1 0 345.439 3.831 20 0 EHADRM Cc1cc(C(=O)NC[C@H](C)CC(=O)[O-])c(C)n1[C@H](C)c1ccccc1 ZINC000262214769 1019563658 /nfs/dbraw/zinc/56/36/58/1019563658.db2.gz LLTBFYVUEKNESO-UKRRQHHQSA-N -1 0 342.439 3.555 20 0 EHADRM CCCN(C(=O)[C@@H]1CC[C@@H]1C(=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000262283062 1019582844 /nfs/dbraw/zinc/58/28/44/1019582844.db2.gz ZKNORXSEAWXQMB-YUELXQCFSA-N -1 0 329.396 3.843 20 0 EHADRM COC(=O)c1nc(N[C@@H](C)c2c(F)cccc2Cl)sc1C ZINC000433785085 1019610943 /nfs/dbraw/zinc/61/09/43/1019610943.db2.gz OZINBVFDKCJTKT-ZETCQYMHSA-N -1 0 328.796 3.626 20 0 EHADRM CCC[C@H](N=c1[n-]c(C(=O)OC)c(C)s1)c1ccc(F)cc1F ZINC000433774432 1019611939 /nfs/dbraw/zinc/61/19/39/1019611939.db2.gz LVCDUEWZVZGQTD-ZDUSSCGKSA-N -1 0 340.395 3.892 20 0 EHADRM C[C@H]1CC[C@@]2(CCN(C(=O)N=c3[n-]nc(-c4ccccc4)s3)C2)C1 ZINC000513441546 1019680101 /nfs/dbraw/zinc/68/01/01/1019680101.db2.gz BSWVQQSHMDMGEF-SCLBCKFNSA-N -1 0 342.468 3.671 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)CC2 ZINC000262953347 1019774473 /nfs/dbraw/zinc/77/44/73/1019774473.db2.gz LLOCDFKVWMRIHO-MPGHIAIKSA-N -1 0 329.440 3.805 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@@H]2C[C@H]2c2ccc3ccccc3c2)s[n-]1 ZINC000509926587 1019778996 /nfs/dbraw/zinc/77/89/96/1019778996.db2.gz MYKVVWFMOLAACK-KNXALSJPSA-N -1 0 325.437 3.789 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)c1ccc(SC(F)F)cc1 ZINC000263082874 1019809495 /nfs/dbraw/zinc/80/94/95/1019809495.db2.gz UZJHXPUVLAWPIG-HNNXBMFYSA-N -1 0 331.384 3.621 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)CCC(C)(C)c2ccccc2)C1 ZINC000263082623 1019811598 /nfs/dbraw/zinc/81/15/98/1019811598.db2.gz UXRGJONHBXPDJP-FQEVSTJZSA-N -1 0 331.456 3.704 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccc(C(=O)[O-])c(C)n2)o1 ZINC000263321492 1019872133 /nfs/dbraw/zinc/87/21/33/1019872133.db2.gz IZFSYNUHZAALQA-ZBEGNZNMSA-N -1 0 342.395 3.603 20 0 EHADRM O=C([N-]OCc1cccnc1)C1(c2cccc(Cl)c2)CCCC1 ZINC000155821082 1019872417 /nfs/dbraw/zinc/87/24/17/1019872417.db2.gz BATLEHZTXCTIOS-UHFFFAOYSA-N -1 0 330.815 3.795 20 0 EHADRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(C)oc2C)c1C1CC1 ZINC000345127877 1019982711 /nfs/dbraw/zinc/98/27/11/1019982711.db2.gz UQRUFIJIOMZZIB-SNVBAGLBSA-N -1 0 337.445 3.742 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000580911684 1020225895 /nfs/dbraw/zinc/22/58/95/1020225895.db2.gz GOPIPNCPFCNSJQ-UHFFFAOYSA-N -1 0 346.349 3.756 20 0 EHADRM O=C(Cc1c[nH]c2cc(F)ccc12)Nc1ccc2[n-]c(=S)oc2c1 ZINC000160754361 1020406253 /nfs/dbraw/zinc/40/62/53/1020406253.db2.gz VTMLEOYADXWXRO-UHFFFAOYSA-N -1 0 341.367 3.918 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1c[nH]nc1-c1ccccc1F ZINC000345643353 1020412502 /nfs/dbraw/zinc/41/25/02/1020412502.db2.gz BPRAGCYTYSUNIG-UHFFFAOYSA-N -1 0 349.724 3.966 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cc2ccccc2[nH]c1=O ZINC000345704291 1020445780 /nfs/dbraw/zinc/44/57/80/1020445780.db2.gz YZMYZCSCYDYUMA-UHFFFAOYSA-N -1 0 332.718 3.691 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cnc([C@H]2CCCO2)s1 ZINC000345713146 1020467181 /nfs/dbraw/zinc/46/71/81/1020467181.db2.gz WQCHMCWCLRJLIA-LLVKDONJSA-N -1 0 342.779 3.745 20 0 EHADRM CC(C)n1cc(-c2cccc(OCc3cnn(C)c3)c2)cc1C(=O)[O-] ZINC000581142518 1020481282 /nfs/dbraw/zinc/48/12/82/1020481282.db2.gz OQEIURUKPVAMKC-UHFFFAOYSA-N -1 0 339.395 3.747 20 0 EHADRM COc1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)ccc1C(=O)[O-] ZINC000261729017 1020486718 /nfs/dbraw/zinc/48/67/18/1020486718.db2.gz RNUJNZWKCMTIFR-PWSUYJOCSA-N -1 0 345.317 3.701 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cc1csc2ccccc12 ZINC000345771157 1020501025 /nfs/dbraw/zinc/50/10/25/1020501025.db2.gz FRVXXVWDMSIZAJ-MAZHCROVSA-N -1 0 343.448 3.688 20 0 EHADRM O=C(CCCc1ccc(O)c(F)c1)N1CCC[C@@H]1[C@H]1CCCCC1=O ZINC000345770613 1020501356 /nfs/dbraw/zinc/50/13/56/1020501356.db2.gz HXNIFRCOIMPSQP-NVXWUHKLSA-N -1 0 347.430 3.604 20 0 EHADRM CCCN1Cc2cccc(NC(=O)CC(CC)(CC)C(=O)[O-])c2C1 ZINC000066965850 1020589644 /nfs/dbraw/zinc/58/96/44/1020589644.db2.gz PXJBBOJCKHDPFB-UHFFFAOYSA-N -1 0 332.444 3.632 20 0 EHADRM CCC(CC)(NC(=O)Nc1ccc(SC)c(Cl)c1)C(=O)[O-] ZINC000581288678 1020635737 /nfs/dbraw/zinc/63/57/37/1020635737.db2.gz UDCNJZUBHMZXJI-UHFFFAOYSA-N -1 0 330.837 3.827 20 0 EHADRM Cc1ccc2oc(CNC(=O)CC3(CC(=O)[O-])CCCC3)cc2c1 ZINC000581321778 1020686243 /nfs/dbraw/zinc/68/62/43/1020686243.db2.gz YGZJHMZLMIDOBM-UHFFFAOYSA-N -1 0 329.396 3.783 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000656484642 1020705529 /nfs/dbraw/zinc/70/55/29/1020705529.db2.gz USKGLZAAECMRSU-QWRGUYRKSA-N -1 0 325.817 3.667 20 0 EHADRM CCn1cc(S(=O)(=O)[N-]c2cccc(-c3ccccc3)c2)nc1C ZINC000340971034 1020710249 /nfs/dbraw/zinc/71/02/49/1020710249.db2.gz FAQYRRGHROEGBF-UHFFFAOYSA-N -1 0 341.436 3.679 20 0 EHADRM CCCc1nc(=NC(=O)N2CCC[C@@]2(C)Cc2ccccc2)s[n-]1 ZINC000558458890 1020745527 /nfs/dbraw/zinc/74/55/27/1020745527.db2.gz LXNDHOZFHXKXKO-SFHVURJKSA-N -1 0 344.484 3.542 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cnn(C)c2-c2ccccc2)c(C)s1 ZINC000341000019 1020806729 /nfs/dbraw/zinc/80/67/29/1020806729.db2.gz VWZLVRPEMPCINI-UHFFFAOYSA-N -1 0 347.465 3.566 20 0 EHADRM CCc1cccc2cc(CN[C@H](C(=O)[O-])c3ccccc3OC)oc21 ZINC000656572340 1020942242 /nfs/dbraw/zinc/94/22/42/1020942242.db2.gz HSMLKWVKZBHFHC-SFHVURJKSA-N -1 0 339.391 3.919 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NCc1ccc(O[C@H]2CCOC2)cc1 ZINC000656573362 1020943593 /nfs/dbraw/zinc/94/35/93/1020943593.db2.gz NYSJBXGHAHVQFE-KRWDZBQOSA-N -1 0 341.407 3.781 20 0 EHADRM CCCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccnn1CC ZINC000276296864 1021000733 /nfs/dbraw/zinc/00/07/33/1021000733.db2.gz SIOFBBKQAOQVOQ-UHFFFAOYSA-N -1 0 335.473 3.780 20 0 EHADRM O=C([O-])c1c2c(nc3ccccc31)/C(=C\c1cn(C3CCC3)nn1)CC2 ZINC000656612651 1021023862 /nfs/dbraw/zinc/02/38/62/1021023862.db2.gz IJDVWTRPZLOWLO-BENRWUELSA-N -1 0 346.390 3.736 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2ccc(C(=O)[O-])cc2)C(F)(F)F)c1 ZINC000581580636 1021111952 /nfs/dbraw/zinc/11/19/52/1021111952.db2.gz KNQXETPNTXCTTD-CQSZACIVSA-N -1 0 337.297 3.727 20 0 EHADRM CCC(CC)(NC(=O)Nc1ccc(OC2CCC2)c(F)c1)C(=O)[O-] ZINC000516236947 1021205312 /nfs/dbraw/zinc/20/53/12/1021205312.db2.gz PZTYBFOOIUOCNE-UHFFFAOYSA-N -1 0 338.379 3.522 20 0 EHADRM COC(=O)C[C@H](NC(=O)c1ccc2ccccc2c1O)c1ccccc1 ZINC000436778778 1021205799 /nfs/dbraw/zinc/20/57/99/1021205799.db2.gz SVLHNLPUPZPJGB-SFHVURJKSA-N -1 0 349.386 3.580 20 0 EHADRM CCOC(=O)c1ccc2c(c1)nc(-c1cc(F)c([O-])c(F)c1)n2CC ZINC000436780058 1021209227 /nfs/dbraw/zinc/20/92/27/1021209227.db2.gz MYCWAFIPKCAMBT-UHFFFAOYSA-N -1 0 346.333 3.884 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccc(OC)c(Cl)c2)c1 ZINC000436765166 1021212120 /nfs/dbraw/zinc/21/21/20/1021212120.db2.gz PIEQFXPRRZZEJH-UHFFFAOYSA-N -1 0 333.771 3.899 20 0 EHADRM Cc1c(Cl)cccc1C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000426306474 1021212848 /nfs/dbraw/zinc/21/28/48/1021212848.db2.gz GBOQMUQGUVWVPI-UHFFFAOYSA-N -1 0 335.841 3.903 20 0 EHADRM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2c(C)cc(C)nc2C)c1 ZINC000656735087 1021229074 /nfs/dbraw/zinc/22/90/74/1021229074.db2.gz QXLSRMQQWCETSM-CQSZACIVSA-N -1 0 348.468 3.985 20 0 EHADRM c1ccc2c(c1)C[C@@H](c1n[n-]c(=NCc3ccc4c(c3)CCCC4)o1)O2 ZINC000427255814 1021262009 /nfs/dbraw/zinc/26/20/09/1021262009.db2.gz IDJYRGQSNZJPRR-IBGZPJMESA-N -1 0 347.418 3.659 20 0 EHADRM Cn1nc(-c2ccsc2)cc1NC(=O)c1ccc([O-])c(Cl)c1 ZINC000436823228 1021273863 /nfs/dbraw/zinc/27/38/63/1021273863.db2.gz SYZSAXARRDNRHU-UHFFFAOYSA-N -1 0 333.800 3.760 20 0 EHADRM CCn1ccnc1C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000436844752 1021288436 /nfs/dbraw/zinc/28/84/36/1021288436.db2.gz AKVFDJYJJDSVCZ-UHFFFAOYSA-N -1 0 334.590 3.821 20 0 EHADRM CS[C@H](C)CC(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000342463962 1021288951 /nfs/dbraw/zinc/28/89/51/1021288951.db2.gz VVYBSCLNEFMXBX-ZCFIWIBFSA-N -1 0 338.654 3.888 20 0 EHADRM CC1(C)CO[C@H](c2cccc(F)c2)CN1Cc1ccc(C(=O)[O-])cc1 ZINC000656765694 1021294344 /nfs/dbraw/zinc/29/43/44/1021294344.db2.gz NNYWXONHORGFRU-SFHVURJKSA-N -1 0 343.398 3.876 20 0 EHADRM CC(C)C[C@@H]1CCN(C(=O)c2cc(F)cc(Br)c2[O-])C1 ZINC000436852940 1021296739 /nfs/dbraw/zinc/29/67/39/1021296739.db2.gz QFVKFHSGMGNQBV-JTQLQIEISA-N -1 0 344.224 3.802 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)c1 ZINC000436859714 1021298957 /nfs/dbraw/zinc/29/89/57/1021298957.db2.gz CJASYHILBCLOSP-CABCVRRESA-N -1 0 329.783 3.990 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)Cc2ccc(Br)cc2)c1 ZINC000436864628 1021303348 /nfs/dbraw/zinc/30/33/48/1021303348.db2.gz ZVJWCJATYNGGKC-UHFFFAOYSA-N -1 0 348.196 3.539 20 0 EHADRM Cc1ccnc(C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)n1 ZINC000436879317 1021328781 /nfs/dbraw/zinc/32/87/81/1021328781.db2.gz GBTXMIUEDUCYCA-UHFFFAOYSA-N -1 0 332.574 3.703 20 0 EHADRM O=C(N=c1cc(C2CCCCC2)[nH][nH]1)c1cc(F)c([O-])c(Cl)c1 ZINC000436896869 1021361133 /nfs/dbraw/zinc/36/11/33/1021361133.db2.gz OVCSTVSTVAXILL-UHFFFAOYSA-N -1 0 337.782 3.630 20 0 EHADRM COC(=O)c1cc(NC(=O)c2ccc([O-])c(Cl)c2)c(C)cc1C ZINC000436897110 1021361706 /nfs/dbraw/zinc/36/17/06/1021361706.db2.gz WCLJODMZTQEHAL-UHFFFAOYSA-N -1 0 333.771 3.701 20 0 EHADRM O=C(c1ccc(F)cc1[O-])N1CC=C(c2c(F)cccc2F)CC1 ZINC000436901791 1021365324 /nfs/dbraw/zinc/36/53/24/1021365324.db2.gz IFWWUJZJOYHWCX-UHFFFAOYSA-N -1 0 333.309 3.739 20 0 EHADRM COc1ccc(-c2csc(-c3ccccc3O)n2)c2occ([O-])c21 ZINC000436938212 1021400332 /nfs/dbraw/zinc/40/03/32/1021400332.db2.gz IIZODGYRENAATB-UHFFFAOYSA-N -1 0 339.372 3.766 20 0 EHADRM C[C@@H](NC(=O)C12CCC(C(=O)[O-])(CC1)CC2)[C@H](C)c1ccccc1 ZINC000909410191 1021405366 /nfs/dbraw/zinc/40/53/66/1021405366.db2.gz DPINMMPJEYUGLI-RETIVCARSA-N -1 0 329.440 3.720 20 0 EHADRM C[C@H](c1ccccc1)[C@H](C)NC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000909410193 1021405424 /nfs/dbraw/zinc/40/54/24/1021405424.db2.gz DPINMMPJEYUGLI-XSYNCLLFSA-N -1 0 329.440 3.720 20 0 EHADRM CCn1cc([N-]S(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)cn1 ZINC000032595381 1021418936 /nfs/dbraw/zinc/41/89/36/1021418936.db2.gz NCPZQQRMVLQXIQ-UHFFFAOYSA-N -1 0 335.473 3.618 20 0 EHADRM CCC1(CC)[C@@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)C[C@@H]1OC ZINC000436957586 1021421164 /nfs/dbraw/zinc/42/11/64/1021421164.db2.gz YNXICUYEUPQSHB-STQMWFEESA-N -1 0 329.799 3.508 20 0 EHADRM Cc1ncsc1NC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000436989171 1021443489 /nfs/dbraw/zinc/44/34/89/1021443489.db2.gz YWXWZTOEXCXOHF-UHFFFAOYSA-N -1 0 347.621 3.825 20 0 EHADRM Cn1cc(Nc2cccc(NC(=O)c3ccc([O-])c(Cl)c3)c2)cn1 ZINC000436988908 1021443905 /nfs/dbraw/zinc/44/39/05/1021443905.db2.gz QIBRZKVKVPQGGL-UHFFFAOYSA-N -1 0 342.786 3.775 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)NC1CC(c2ccccc2)C1 ZINC000439467085 1021460734 /nfs/dbraw/zinc/46/07/34/1021460734.db2.gz WGXYSRDKUGEQMP-UHFFFAOYSA-N -1 0 344.418 3.633 20 0 EHADRM [O-]c1ccc(Cl)cc1-c1nc(CCn2cnc3ccccc32)no1 ZINC000437002047 1021472940 /nfs/dbraw/zinc/47/29/40/1021472940.db2.gz SEPJMIYGPXPNKQ-UHFFFAOYSA-N -1 0 340.770 3.688 20 0 EHADRM O=S(=O)(Cc1ccc(Cl)cc1)[N-]c1nc(C2CC2)cs1 ZINC000650450452 1021535305 /nfs/dbraw/zinc/53/53/05/1021535305.db2.gz PJUQJYSSVWBKED-UHFFFAOYSA-N -1 0 328.846 3.616 20 0 EHADRM O=C(CCC1CCCCC1)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000048616256 1021576039 /nfs/dbraw/zinc/57/60/39/1021576039.db2.gz PBFNWRCRTZTMCN-UHFFFAOYSA-N -1 0 331.384 3.971 20 0 EHADRM Cc1ccc(CNC(=O)CC2(C(=O)[O-])CCCC2)c(OC(C)(C)C)c1 ZINC000440531828 1021591357 /nfs/dbraw/zinc/59/13/57/1021591357.db2.gz FIMJNIDQAUTTCA-UHFFFAOYSA-N -1 0 347.455 3.824 20 0 EHADRM Cc1c(Cl)cc(F)c(NC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1F ZINC000519704191 1021617295 /nfs/dbraw/zinc/61/72/95/1021617295.db2.gz HBRAMHSPEHLMJD-APPZFPTMSA-N -1 0 346.761 3.501 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2nnc(C(CC)CC)s2)s1 ZINC000437177080 1021625693 /nfs/dbraw/zinc/62/56/93/1021625693.db2.gz RZYCCCBLBJIOFG-UHFFFAOYSA-N -1 0 345.515 3.866 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)CCc2cccc(Cl)c2)c2n[nH]cc21 ZINC000506644425 1021628100 /nfs/dbraw/zinc/62/81/00/1021628100.db2.gz CCGHWBFKKHSJEF-UHFFFAOYSA-N -1 0 349.843 3.509 20 0 EHADRM CCCCCc1nnc([N-]S(=O)(=O)c2cccc(Cl)c2)s1 ZINC000437196979 1021649547 /nfs/dbraw/zinc/64/95/47/1021649547.db2.gz JHQGYPMLZUNHTP-UHFFFAOYSA-N -1 0 345.877 3.725 20 0 EHADRM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000008106217 1021705854 /nfs/dbraw/zinc/70/58/54/1021705854.db2.gz VGHRGZPWBTUKJF-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM CC[C@@H](C)n1ncc2c1nc(/C=C/c1c(C)n[nH]c1C)cc2C(=O)[O-] ZINC000519824439 1021716690 /nfs/dbraw/zinc/71/66/90/1021716690.db2.gz OIELBRNATOPKMR-VQCYPWCPSA-N -1 0 339.399 3.611 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1nc2c(s1)CCCCC2 ZINC000437326059 1021739077 /nfs/dbraw/zinc/73/90/77/1021739077.db2.gz SEFFDCIDAVLDLJ-UHFFFAOYSA-N -1 0 340.445 3.660 20 0 EHADRM CC[C@H](C)[C@@H](C)N(C(=O)c1nn(-c2cccc(F)c2)cc1[O-])C1CC1 ZINC000550313105 1021743139 /nfs/dbraw/zinc/74/31/39/1021743139.db2.gz HSPAXTBZBSRPCE-QWHCGFSZSA-N -1 0 345.418 3.756 20 0 EHADRM CC[C@H](C)[C@H](C)N(C(=O)c1nn(-c2cccc(F)c2)cc1[O-])C1CC1 ZINC000550313106 1021743710 /nfs/dbraw/zinc/74/37/10/1021743710.db2.gz HSPAXTBZBSRPCE-STQMWFEESA-N -1 0 345.418 3.756 20 0 EHADRM Cc1cccc(C[C@@H](CNC(=O)c2ccc(Cl)cc2C)C(=O)[O-])c1 ZINC000439901309 1021813800 /nfs/dbraw/zinc/81/38/00/1021813800.db2.gz KVARBXABRGIGHK-HNNXBMFYSA-N -1 0 345.826 3.630 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)cc(C(=O)[O-])c1C ZINC000439899688 1021814906 /nfs/dbraw/zinc/81/49/06/1021814906.db2.gz WGVUDDMXHJQOMP-GHTZIAJQSA-N -1 0 335.403 3.844 20 0 EHADRM CC[C@](C)(NC(=O)Nc1ccc(COC2CCCC2)cc1)C(=O)[O-] ZINC000516904836 1021825297 /nfs/dbraw/zinc/82/52/97/1021825297.db2.gz JRYYNAIUPCTSSR-SFHVURJKSA-N -1 0 334.416 3.521 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000516929695 1021859218 /nfs/dbraw/zinc/85/92/18/1021859218.db2.gz LHVWODAWYJCXCT-HRSCSKTISA-N -1 0 329.440 3.672 20 0 EHADRM Cc1cc(C)cc(/C=C2/CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)c1 ZINC000519105116 1021862611 /nfs/dbraw/zinc/86/26/11/1021862611.db2.gz XIOBBFUAXCZXKW-GDNBJRDFSA-N -1 0 346.386 3.656 20 0 EHADRM CC[C@](C)(O)CN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1O ZINC000440027027 1021909180 /nfs/dbraw/zinc/90/91/80/1021909180.db2.gz LRYQLNMQMOOKMJ-IBGZPJMESA-N -1 0 347.842 3.849 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2CCCC[C@@H]2c2ccc(C)cc2)s1 ZINC000437551243 1021936813 /nfs/dbraw/zinc/93/68/13/1021936813.db2.gz UIZKFEYEQCFJND-OAHLLOKOSA-N -1 0 344.484 3.980 20 0 EHADRM O=C(N=c1[n-]ncs1)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000517084744 1022003369 /nfs/dbraw/zinc/00/33/69/1022003369.db2.gz MOWBDKOQVGSUHL-CYBMUJFWSA-N -1 0 336.848 3.666 20 0 EHADRM Cc1cc(OCc2ccccc2)ccc1[N-]S(=O)(=O)c1ccco1 ZINC000437668945 1022039238 /nfs/dbraw/zinc/03/92/38/1022039238.db2.gz NTFVZIBKIDLZJO-UHFFFAOYSA-N -1 0 343.404 3.968 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cn2)c1 ZINC000520280659 1022086588 /nfs/dbraw/zinc/08/65/88/1022086588.db2.gz RUZWLQHWLYQFTC-UHFFFAOYSA-N -1 0 340.404 3.983 20 0 EHADRM CC(C)(C)Cc1nc2cc([N-]S(=O)(=O)c3ccoc3)ccc2o1 ZINC000506819802 1022087068 /nfs/dbraw/zinc/08/70/68/1022087068.db2.gz LPXXFEHYBMQRDH-UHFFFAOYSA-N -1 0 334.397 3.810 20 0 EHADRM Cc1n[n-]c(=NC(=O)N(Cc2ccccc2)[C@@H]2CCCC2(C)C)s1 ZINC000426643283 1022128671 /nfs/dbraw/zinc/12/86/71/1022128671.db2.gz OAPIPWCGFOZFDT-OAHLLOKOSA-N -1 0 344.484 3.881 20 0 EHADRM Cc1csc([C@@H](NC(=O)CCCc2ccc(O)c(F)c2)C2CC2)n1 ZINC000346005516 1022278900 /nfs/dbraw/zinc/27/89/00/1022278900.db2.gz MESSSGCAUGDHKN-KRWDZBQOSA-N -1 0 348.443 3.886 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccnn2[C@@H](C)C2CC2)cc1CC ZINC000550052953 1022282297 /nfs/dbraw/zinc/28/22/97/1022282297.db2.gz NYBZRJYEKFYIIM-ZDUSSCGKSA-N -1 0 347.484 3.780 20 0 EHADRM CCOCc1cccc([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000102320613 1022299592 /nfs/dbraw/zinc/29/95/92/1022299592.db2.gz HOQKXDDUKKTYQX-UHFFFAOYSA-N -1 0 325.817 3.677 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cc1O)c1ccc(Cl)c(Cl)c1 ZINC000111058843 1022410262 /nfs/dbraw/zinc/41/02/62/1022410262.db2.gz UMTUZLLYXKGRKL-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM O=S(=O)([O-])c1c(Nc2cc(F)nc(F)c2)ccc2ccccc21 ZINC001213082365 1022440578 /nfs/dbraw/zinc/44/05/78/1022440578.db2.gz IYQCXBYAFIBYIU-UHFFFAOYSA-N -1 0 336.319 3.503 20 0 EHADRM Fc1cccc(Cc2n[n-]c(=NCc3ccc(Cl)cc3F)o2)c1 ZINC000438237759 1022482273 /nfs/dbraw/zinc/48/22/73/1022482273.db2.gz LEIVZOCTJAYGNU-UHFFFAOYSA-N -1 0 335.741 3.626 20 0 EHADRM Cc1cc(C(=O)CSc2nc(C(F)(F)F)cc(=O)[nH]2)c(C)s1 ZINC000517622999 1022494913 /nfs/dbraw/zinc/49/49/13/1022494913.db2.gz YJRKVHAQKRHFGF-UHFFFAOYSA-N -1 0 348.371 3.854 20 0 EHADRM O=C(c1nn(-c2cccc(F)c2)cc1[O-])N1CCCC12CCCCC2 ZINC000328797039 1022504781 /nfs/dbraw/zinc/50/47/81/1022504781.db2.gz DROMXKNKLVRCCO-UHFFFAOYSA-N -1 0 343.402 3.656 20 0 EHADRM CC(C)c1ccccc1S(=O)(=O)[N-]c1cnccc1N1CCCC1 ZINC000517742622 1022613674 /nfs/dbraw/zinc/61/36/74/1022613674.db2.gz SKQKIBSKUPCEPB-UHFFFAOYSA-N -1 0 345.468 3.606 20 0 EHADRM CCCCN(CC)C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000303943381 1022666453 /nfs/dbraw/zinc/66/64/53/1022666453.db2.gz XTIORXVIFLKAMF-UHFFFAOYSA-N -1 0 329.444 3.964 20 0 EHADRM O=C(CC1CCC(C(F)(F)F)CC1)N=c1cc(C(F)(F)F)[n-][nH]1 ZINC000330792825 1022677722 /nfs/dbraw/zinc/67/77/22/1022677722.db2.gz DQWKJAXLVAXOEJ-UHFFFAOYSA-N -1 0 343.271 3.548 20 0 EHADRM Cc1cccc(C(=O)Nc2ccc(OC3CCOCC3)c(C)c2)c1O ZINC000152302199 1022704041 /nfs/dbraw/zinc/70/40/41/1022704041.db2.gz ANXLQROPYWXSEH-UHFFFAOYSA-N -1 0 341.407 3.819 20 0 EHADRM CCc1nc(C)c([N-]S(=O)(=O)c2cccc(Cl)c2C)s1 ZINC000331121040 1022749631 /nfs/dbraw/zinc/74/96/31/1022749631.db2.gz ONHSBLDBWXBNOG-UHFFFAOYSA-N -1 0 330.862 3.777 20 0 EHADRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(C)c(Cl)s2)c1C ZINC000331091519 1022751476 /nfs/dbraw/zinc/75/14/76/1022751476.db2.gz IGDAEEUYBZSKLH-SECBINFHSA-N -1 0 347.893 3.987 20 0 EHADRM Cc1cc(C)n(CCSCc2cc(=O)[nH]c(-c3ccccc3)n2)n1 ZINC000517903055 1022810244 /nfs/dbraw/zinc/81/02/44/1022810244.db2.gz KNBKMGXCTXZMHM-UHFFFAOYSA-N -1 0 340.452 3.596 20 0 EHADRM Cc1cccc(N=c2[n-]nc(SCC3CCC(O)CC3)s2)c1 ZINC000430928211 1022880700 /nfs/dbraw/zinc/88/07/00/1022880700.db2.gz SWLDLMPXHORYTB-UHFFFAOYSA-N -1 0 335.498 3.655 20 0 EHADRM CC(C)(C)c1ccc(-c2ccc(CN=c3[n-]nc(CO)s3)o2)cc1 ZINC000562941597 1022929871 /nfs/dbraw/zinc/92/98/71/1022929871.db2.gz CJUUDDDELJTYPU-UHFFFAOYSA-N -1 0 343.452 3.622 20 0 EHADRM Cn1c2ccc([N-]S(=O)(=O)c3ccsc3)cc2nc1C(C)(C)C ZINC000506863554 1022966007 /nfs/dbraw/zinc/96/60/07/1022966007.db2.gz XFWJALYVYMSQFH-UHFFFAOYSA-N -1 0 349.481 3.733 20 0 EHADRM Cc1nc(CNCc2ccc(F)c(C(F)(F)F)c2)sc1C(=O)[O-] ZINC000426696376 1022969287 /nfs/dbraw/zinc/96/92/87/1022969287.db2.gz OJEYYZFSLYAOPG-UHFFFAOYSA-N -1 0 348.321 3.597 20 0 EHADRM C[C@]1(Br)C[C@@H]1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000528937506 1033098060 /nfs/dbraw/zinc/09/80/60/1033098060.db2.gz HOPUBWPNEBJZIK-KBUNVGBDSA-N -1 0 339.016 3.811 20 0 EHADRM Cc1cc(S(=O)(=O)Nc2ccc3nn(C(C)C)cc3c2)ccc1F ZINC000438764376 1022989672 /nfs/dbraw/zinc/98/96/72/1022989672.db2.gz OHYQUCWBYZIPJA-UHFFFAOYSA-N -1 0 347.415 3.866 20 0 EHADRM O=C([O-])[C@@H](NCc1coc(-c2ccccc2)n1)c1c(F)cccc1F ZINC000426747000 1023017435 /nfs/dbraw/zinc/01/74/35/1023017435.db2.gz MBYCFUNSVSVQCM-INIZCTEOSA-N -1 0 344.317 3.535 20 0 EHADRM O=C([O-])[C@H](NCc1ccc(F)c(Cl)c1)c1c(F)cccc1F ZINC000426758815 1023029602 /nfs/dbraw/zinc/02/96/02/1023029602.db2.gz UPOVFVPDHRGZLQ-CQSZACIVSA-N -1 0 329.705 3.673 20 0 EHADRM CCCSC[C@@H](NCc1ccc(Oc2ccccc2)o1)C(=O)[O-] ZINC000426771566 1023033860 /nfs/dbraw/zinc/03/38/60/1023033860.db2.gz DEXYFXGGAXPVNA-OAHLLOKOSA-N -1 0 335.425 3.758 20 0 EHADRM O=C([O-])[C@@H](NCc1cnc(-c2ccsc2)s1)c1ccccc1 ZINC000426771372 1023034953 /nfs/dbraw/zinc/03/49/53/1023034953.db2.gz BMROMTBXFCTSSV-AWEZNQCLSA-N -1 0 330.434 3.787 20 0 EHADRM O=C([O-])[C@H](NCc1csc(-c2ccc(F)cc2)n1)c1cccs1 ZINC000426797430 1023053858 /nfs/dbraw/zinc/05/38/58/1023053858.db2.gz FSMZFAINDWQAHN-CQSZACIVSA-N -1 0 348.424 3.926 20 0 EHADRM COc1ccc([C@@H](NCc2cc3ccccc3s2)C(=O)[O-])cc1F ZINC000426825585 1023070301 /nfs/dbraw/zinc/07/03/01/1023070301.db2.gz BGFYDONJBLWYJU-QGZVFWFLSA-N -1 0 345.395 3.965 20 0 EHADRM Cc1cc2cccnc2c([N-]S(=O)(=O)c2ccc(F)cc2C)c1 ZINC000507011704 1023076339 /nfs/dbraw/zinc/07/63/39/1023076339.db2.gz CDLFVNWOGBYMLH-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1ccccc1S(=O)(=O)C(C)C ZINC001211622800 1033103446 /nfs/dbraw/zinc/10/34/46/1033103446.db2.gz MGYRDLHJWPMQFU-UHFFFAOYSA-N -1 0 333.409 3.619 20 0 EHADRM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(C)nc3)cc2)cs1 ZINC000430982480 1023086956 /nfs/dbraw/zinc/08/69/56/1023086956.db2.gz RERZIXYPVWPSEI-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM COc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000507024042 1023091207 /nfs/dbraw/zinc/09/12/07/1023091207.db2.gz YRWARLINVFNSTH-UHFFFAOYSA-N -1 0 349.305 3.654 20 0 EHADRM Cc1ccc(OCC/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000022728406 1023211192 /nfs/dbraw/zinc/21/11/92/1023211192.db2.gz CGBZNETWKOASLR-VCHYOVAHSA-N -1 0 334.759 3.760 20 0 EHADRM Cc1cscc1[N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2 ZINC000439052352 1023243123 /nfs/dbraw/zinc/24/31/23/1023243123.db2.gz TWSSEAUUSJKTFX-VIFPVBQESA-N -1 0 343.857 3.834 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2ccc(Cl)s2)cc(OC)c1C ZINC000431168186 1023375279 /nfs/dbraw/zinc/37/52/79/1023375279.db2.gz QJDCLLILDPOQGM-UHFFFAOYSA-N -1 0 347.845 3.528 20 0 EHADRM COCCCOc1ccc(F)cc1Nc1ccc(C(=O)[O-])cc1C ZINC001211622813 1033133448 /nfs/dbraw/zinc/13/34/48/1033133448.db2.gz MRDWKLNMMJGQLS-UHFFFAOYSA-N -1 0 333.359 3.991 20 0 EHADRM CC(C)CCN(CCC(C)C)C(=O)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000471970220 1023489062 /nfs/dbraw/zinc/48/90/62/1023489062.db2.gz WRQZMRYUDJIOGF-UHFFFAOYSA-N -1 0 346.397 3.843 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)CC1 ZINC000431209011 1023524233 /nfs/dbraw/zinc/52/42/33/1023524233.db2.gz CQMTZBZHVILTEH-FRFSOERESA-N -1 0 335.419 3.920 20 0 EHADRM O=S(=O)([N-]c1ccccc1NC1CCCCC1)c1cncc(F)c1 ZINC000535737930 1023593643 /nfs/dbraw/zinc/59/36/43/1023593643.db2.gz SLYWOGWNWHKOTM-UHFFFAOYSA-N -1 0 349.431 3.766 20 0 EHADRM CCCCOc1cccc([N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000511258365 1033151372 /nfs/dbraw/zinc/15/13/72/1033151372.db2.gz LVBLJMMHFQCILX-UHFFFAOYSA-N -1 0 341.379 3.945 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)c(C)s1 ZINC000471984671 1023857504 /nfs/dbraw/zinc/85/75/04/1023857504.db2.gz HXRXVRVPBGEUFC-UHFFFAOYSA-N -1 0 335.809 3.664 20 0 EHADRM O=C([O-])C(=O)Nc1ccc(-n2c3ccccc3c3ccccc32)cc1 ZINC001143419880 1023913574 /nfs/dbraw/zinc/91/35/74/1023913574.db2.gz ACMVYKICFWDIAC-UHFFFAOYSA-N -1 0 330.343 3.807 20 0 EHADRM Cc1cccc(NC(=O)c2c(C(C)C)[n-]n(-c3ccccc3)c2=O)c1 ZINC000505416861 1024007318 /nfs/dbraw/zinc/00/73/18/1024007318.db2.gz UUVISTIZZQJMOY-KRWDZBQOSA-N -1 0 335.407 3.609 20 0 EHADRM Cc1ccc(NC(=O)c2c(C)[n-]n(-c3cc(C)ccc3C)c2=O)s1 ZINC000505418302 1024011526 /nfs/dbraw/zinc/01/15/26/1024011526.db2.gz AEIKRJNIXMPXGS-INIZCTEOSA-N -1 0 341.436 3.651 20 0 EHADRM Cc1cccc([C@H](NCc2cnc(C(F)(F)F)s2)C(=O)[O-])c1C ZINC000417560973 1024039938 /nfs/dbraw/zinc/03/99/38/1024039938.db2.gz KTZSLZHXEYUCLC-LBPRGKRZSA-N -1 0 344.358 3.694 20 0 EHADRM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)CC1CCC(C)(C)CC1 ZINC000191236745 1024049116 /nfs/dbraw/zinc/04/91/16/1024049116.db2.gz CEBDWTBNKVNPLK-UHFFFAOYSA-N -1 0 347.455 3.715 20 0 EHADRM CCCCN(CC)c1ccc(C(=O)N=c2ccc(C3CC3)n[n-]2)cc1 ZINC000522538856 1024049029 /nfs/dbraw/zinc/04/90/29/1024049029.db2.gz DPHLGBUTPJDPKY-UHFFFAOYSA-N -1 0 338.455 3.655 20 0 EHADRM CC(C)[C@H](NC(=O)CC(C)(C)CC(=O)[O-])c1ccc(F)cc1F ZINC000236670755 1024074026 /nfs/dbraw/zinc/07/40/26/1024074026.db2.gz SPPVXPKRRIJUAV-INIZCTEOSA-N -1 0 327.371 3.669 20 0 EHADRM CNC(=O)c1ccc(-c2ccc(CCCC(=O)[O-])s2)c(Cl)c1 ZINC000657203450 1024086193 /nfs/dbraw/zinc/08/61/93/1024086193.db2.gz ZFPUFQHCTCZCQT-UHFFFAOYSA-N -1 0 337.828 3.835 20 0 EHADRM O=C([O-])CCc1ccc(-c2ccc(O[C@H]3CCOC3)cc2)cc1F ZINC000657204494 1024102597 /nfs/dbraw/zinc/10/25/97/1024102597.db2.gz ZDPARFWYHYCACE-KRWDZBQOSA-N -1 0 330.355 3.678 20 0 EHADRM CC(C)(C)n1cc(C(=O)[O-])c(-c2ccc(C(F)(F)F)cc2CO)n1 ZINC000657207844 1024130439 /nfs/dbraw/zinc/13/04/39/1024130439.db2.gz RLVKIEFBYIGVJT-UHFFFAOYSA-N -1 0 342.317 3.514 20 0 EHADRM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C(F)(F)F ZINC000443936275 1024132674 /nfs/dbraw/zinc/13/26/74/1024132674.db2.gz PUNVGTBTDHUYFJ-RDDDGLTNSA-N -1 0 347.761 3.734 20 0 EHADRM CC[C@H](C)[C@H]([N-]S(=O)(=O)C[C@@H](C)c1ccccc1)C(F)(F)F ZINC000443939573 1024153291 /nfs/dbraw/zinc/15/32/91/1024153291.db2.gz YIDQFRUPAGZNBU-SCRDCRAPSA-N -1 0 337.407 3.687 20 0 EHADRM C[C@H]1CCCN(Cc2coc(-c3ccc(Cl)cc3)n2)[C@H]1C(=O)[O-] ZINC000324075946 1024177613 /nfs/dbraw/zinc/17/76/13/1024177613.db2.gz GHNRXEVGHQRRQJ-XHDPSFHLSA-N -1 0 334.803 3.680 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2ccccc2OCC2CC2)c1 ZINC000262340845 1024208522 /nfs/dbraw/zinc/20/85/22/1024208522.db2.gz CNLJBFCSMIQPRU-UHFFFAOYSA-N -1 0 339.391 3.745 20 0 EHADRM Clc1ccsc1CSc1n[n-]c(=NC[C@@H]2CCCO2)s1 ZINC000505455565 1024232165 /nfs/dbraw/zinc/23/21/65/1024232165.db2.gz NMIMRIVWQDIDJG-QMMMGPOBSA-N -1 0 347.918 3.558 20 0 EHADRM CCc1ccc(CNC(=O)c2cccc(C(F)(F)F)c2[O-])s1 ZINC001141625446 1024249388 /nfs/dbraw/zinc/24/93/88/1024249388.db2.gz KFRQNZKPKTWSIF-UHFFFAOYSA-N -1 0 329.343 3.965 20 0 EHADRM O=S(=O)([N-]c1nc2ccccc2[nH]1)c1csc2ccccc12 ZINC000350125621 1024254599 /nfs/dbraw/zinc/25/45/99/1024254599.db2.gz FYCDSDOARHNRTK-UHFFFAOYSA-N -1 0 329.406 3.578 20 0 EHADRM CC(C)COc1ccc(CN=c2[n-]nc(CC(F)(F)F)s2)cc1 ZINC000475045403 1024277404 /nfs/dbraw/zinc/27/74/04/1024277404.db2.gz HQMUWBAJZZIJHU-UHFFFAOYSA-N -1 0 345.390 3.712 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000262118229 1024278521 /nfs/dbraw/zinc/27/85/21/1024278521.db2.gz IEZFSTAJIYAPLI-OLZOCXBDSA-N -1 0 337.382 3.897 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(/C=C\C(=O)N2CCC(CCC(=O)[O-])CC2)o1 ZINC000324311077 1024384694 /nfs/dbraw/zinc/38/46/94/1024384694.db2.gz ZHBDJBXQYSRRGW-COVNITIESA-N -1 0 331.412 3.520 20 0 EHADRM CC(C)n1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)n1 ZINC000280888394 1024401931 /nfs/dbraw/zinc/40/19/31/1024401931.db2.gz DZPKZPLJTVMRQS-UHFFFAOYSA-N -1 0 334.228 3.572 20 0 EHADRM c1ccc(CCCc2n[n-]c(=NCc3cccc4cccnc43)o2)cc1 ZINC000346102770 1024403635 /nfs/dbraw/zinc/40/36/35/1024403635.db2.gz JAXXAOFQBMABBL-UHFFFAOYSA-N -1 0 344.418 3.827 20 0 EHADRM CCC(CC)(C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000194461241 1024415838 /nfs/dbraw/zinc/41/58/38/1024415838.db2.gz ZTQJRMSDKZGEMM-SWLSCSKDSA-N -1 0 337.847 3.767 20 0 EHADRM Cc1ccc(SC2(C(=O)N[C@@H]3CC[C@H](C(=O)[O-])C3)CCCC2)cc1 ZINC000194491302 1024418693 /nfs/dbraw/zinc/41/86/93/1024418693.db2.gz HDMFXIIIUWEZKO-LSDHHAIUSA-N -1 0 347.480 3.769 20 0 EHADRM CC(C)Cc1ncc(CN[C@H](C(=O)[O-])c2c(F)cccc2F)s1 ZINC000277284664 1024445347 /nfs/dbraw/zinc/44/53/47/1024445347.db2.gz MCDXOXRIDMJWLA-HNNXBMFYSA-N -1 0 340.395 3.535 20 0 EHADRM Clc1cc(CN=c2[n-]nc(C3CCCCC3)o2)cc2c1OCCO2 ZINC000346133809 1024460584 /nfs/dbraw/zinc/46/05/84/1024460584.db2.gz PSRFUXDWAFGHER-UHFFFAOYSA-N -1 0 349.818 3.576 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1scnc1C1CC1 ZINC000190738457 1024461185 /nfs/dbraw/zinc/46/11/85/1024461185.db2.gz JHBCFUFHVGAIMS-UHFFFAOYSA-N -1 0 346.408 3.758 20 0 EHADRM CC[C@@H](CSc1ccc(C)c(C)c1)N=c1[n-]nc(COC)s1 ZINC000443712945 1024470233 /nfs/dbraw/zinc/47/02/33/1024470233.db2.gz VFOIVRDWSVIWTI-ZDUSSCGKSA-N -1 0 337.514 3.706 20 0 EHADRM Cc1cc(C)c(-c2cc([N-]S(=O)(=O)c3ccccc3)n[nH]2)cc1C ZINC000514474495 1024499650 /nfs/dbraw/zinc/49/96/50/1024499650.db2.gz RCDSSARZGSQXNY-UHFFFAOYSA-N -1 0 341.436 3.803 20 0 EHADRM COC(=O)CC1(CC(=O)Nc2cc(F)cc(Cl)c2[O-])CCCC1 ZINC000346215782 1024508202 /nfs/dbraw/zinc/50/82/02/1024508202.db2.gz KZUSTZIXNVHUSB-UHFFFAOYSA-N -1 0 343.782 3.637 20 0 EHADRM C[C@@H]1CCCC[C@@H]1C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000425251880 1024509698 /nfs/dbraw/zinc/50/96/98/1024509698.db2.gz YIPUVMZPTWMBHZ-OCCSQVGLSA-N -1 0 339.382 3.594 20 0 EHADRM O=C([O-])[C@@H](C[C@@H]1CCCc2ccccc21)NC(=O)[C@@H]1CCC[C@H](F)C1 ZINC000425251438 1024515767 /nfs/dbraw/zinc/51/57/67/1024515767.db2.gz HMLMCAAFHSXHED-UIBIWLFHSA-N -1 0 347.430 3.594 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1cccc(COCC2CC2)c1 ZINC000607614514 1033217330 /nfs/dbraw/zinc/21/73/30/1033217330.db2.gz XDWCKMCDZJJOOP-UHFFFAOYSA-N -1 0 337.466 3.784 20 0 EHADRM C[C@@H](NC(=O)CC1(C(=O)[O-])CCCCCC1)c1c(F)cccc1F ZINC000391811740 1024564253 /nfs/dbraw/zinc/56/42/53/1024564253.db2.gz MNYSRXOFWCLABL-GFCCVEGCSA-N -1 0 339.382 3.957 20 0 EHADRM O=C([O-])CC1(CC(=O)NCc2nc3ccccc3s2)CCCCC1 ZINC000391838410 1024575760 /nfs/dbraw/zinc/57/57/60/1024575760.db2.gz LCBGGKVYALYYQH-UHFFFAOYSA-N -1 0 346.452 3.728 20 0 EHADRM O=C([O-])c1cc(/C=C/c2nccn2CC(F)(F)F)nc2ccccc21 ZINC000068274293 1024606496 /nfs/dbraw/zinc/60/64/96/1024606496.db2.gz VHOWKEDLGVYIEB-AATRIKPKSA-N -1 0 347.296 3.862 20 0 EHADRM CCC[C@H]1CCCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000185403095 1024621499 /nfs/dbraw/zinc/62/14/99/1024621499.db2.gz LOVFKTVGDJUZSF-AWEZNQCLSA-N -1 0 331.391 3.512 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cccn1C1CCCC1)c1ccccc1 ZINC000190851788 1024661670 /nfs/dbraw/zinc/66/16/70/1024661670.db2.gz NHEIAINLGANHCR-KBXCAEBGSA-N -1 0 340.423 3.795 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)CCCCc1ccccc1)CC2 ZINC000909453019 1024684720 /nfs/dbraw/zinc/68/47/20/1024684720.db2.gz BBFIDIUGKCUPPE-UHFFFAOYSA-N -1 0 337.419 3.683 20 0 EHADRM CCCC[C@@H](CC)CC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000427681080 1024729385 /nfs/dbraw/zinc/72/93/85/1024729385.db2.gz AYLXYZBFDOKLDG-BPQIPLTHSA-N -1 0 331.456 3.920 20 0 EHADRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)Nc3ccc(F)c(F)c3)n2)c1 ZINC000507921522 1024776900 /nfs/dbraw/zinc/77/69/00/1024776900.db2.gz WXHGLNHIFWFHJB-UHFFFAOYSA-N -1 0 347.296 3.556 20 0 EHADRM CC[C@@H](C)N(Cc1ccccc1)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000262240137 1024779922 /nfs/dbraw/zinc/77/99/22/1024779922.db2.gz UGKNFUDMQTXIIR-OAHLLOKOSA-N -1 0 325.408 3.755 20 0 EHADRM COc1ccc(F)cc1[N-]S(=O)(=O)c1csc2ccccc21 ZINC000507982017 1024805860 /nfs/dbraw/zinc/80/58/60/1024805860.db2.gz CTBQRZYUQDGNHG-UHFFFAOYSA-N -1 0 337.397 3.850 20 0 EHADRM CCc1ccc([C@@H]2CN(C(=O)c3ccc([O-])c(Cl)c3)CCO2)cc1 ZINC000190874309 1024877072 /nfs/dbraw/zinc/87/70/72/1024877072.db2.gz XXVRNXQVIXLXAA-SFHVURJKSA-N -1 0 345.826 3.822 20 0 EHADRM C[C@@H](NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1ccc(F)c(F)c1 ZINC000684714004 1024890565 /nfs/dbraw/zinc/89/05/65/1024890565.db2.gz SQQWQAFWEQUDFS-YGRLFVJLSA-N -1 0 342.386 3.605 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(C3CCCCC3)[nH]n2)c1 ZINC000474417320 1024920933 /nfs/dbraw/zinc/92/09/33/1024920933.db2.gz WPRWZDGJMNZHTK-UHFFFAOYSA-N -1 0 337.420 3.706 20 0 EHADRM O=S(=O)([N-]c1cc(C2CC2)[nH]n1)c1ccc(-c2ccccc2)cc1 ZINC000474419319 1024925023 /nfs/dbraw/zinc/92/50/23/1024925023.db2.gz VHVPJZSPMXYQIY-UHFFFAOYSA-N -1 0 339.420 3.755 20 0 EHADRM CC(C)[C@H]1N(C(=O)N=c2[n-]nc(-c3ccsc3)s2)CC12CCC2 ZINC000330333211 1024930359 /nfs/dbraw/zinc/93/03/59/1024930359.db2.gz PPCOODQFMHQZFR-GFCCVEGCSA-N -1 0 348.497 3.731 20 0 EHADRM C[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474427400 1024951658 /nfs/dbraw/zinc/95/16/58/1024951658.db2.gz AXTXIUCWUIGHKK-ZETCQYMHSA-N -1 0 345.704 3.869 20 0 EHADRM O=S(=O)([N-]c1cc(C2CCCCC2)[nH]n1)c1ccc(Cl)s1 ZINC000474430982 1024959898 /nfs/dbraw/zinc/95/98/98/1024959898.db2.gz MPIZYYZTBDLCJJ-UHFFFAOYSA-N -1 0 345.877 3.973 20 0 EHADRM Cc1n[n-]c(=NCc2ccccc2COc2ccccc2Cl)o1 ZINC000342343122 1024996583 /nfs/dbraw/zinc/99/65/83/1024996583.db2.gz APHJBIHIGZQKER-UHFFFAOYSA-N -1 0 329.787 3.644 20 0 EHADRM CCc1nnc([C@@H](C)Sc2n[n-]c(=Nc3ccccc3)s2)o1 ZINC000346689910 1025018366 /nfs/dbraw/zinc/01/83/66/1025018366.db2.gz SFEKKENPXJSFHZ-SECBINFHSA-N -1 0 333.442 3.502 20 0 EHADRM COc1cc(C)c([N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1C ZINC000435731489 1025100127 /nfs/dbraw/zinc/10/01/27/1025100127.db2.gz KCYRHUJYJBFRLJ-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM O=C([O-])CCCCCCNC(=O)C1(c2ccccc2F)CCCC1 ZINC000262158471 1025106615 /nfs/dbraw/zinc/10/66/15/1025106615.db2.gz PQTALIFZIWNWMH-UHFFFAOYSA-N -1 0 335.419 3.789 20 0 EHADRM CCc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)n1 ZINC000515249342 1025111020 /nfs/dbraw/zinc/11/10/20/1025111020.db2.gz IUJWOKXUPIWGIM-UHFFFAOYSA-N -1 0 337.253 3.813 20 0 EHADRM Cc1ncc(C(=O)Nc2nnc(-c3cc(F)ccc3C)s2)s1 ZINC000346819999 1025147483 /nfs/dbraw/zinc/14/74/83/1025147483.db2.gz ITRLKNIMAIJQIM-UHFFFAOYSA-N -1 0 334.401 3.670 20 0 EHADRM CCCCc1ccc(CC(=O)N2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000327616047 1025176529 /nfs/dbraw/zinc/17/65/29/1025176529.db2.gz WOIFXTYKMYPYHT-SFHVURJKSA-N -1 0 337.419 3.787 20 0 EHADRM O=C([O-])[C@@H]1CCCCCN1C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000684745719 1025222633 /nfs/dbraw/zinc/22/26/33/1025222633.db2.gz LPVTYMRLZPRVRK-AWEZNQCLSA-N -1 0 343.383 3.566 20 0 EHADRM Cc1cnc(-c2cccc(NC(=O)N3CCCCC[C@H]3C(=O)[O-])c2)o1 ZINC000684749729 1025267077 /nfs/dbraw/zinc/26/70/77/1025267077.db2.gz PVJBFZRXWDPSKC-HNNXBMFYSA-N -1 0 343.383 3.511 20 0 EHADRM Cc1cnc(S[C@H](C)C(=O)Nc2cccc(Cl)c2C)[nH]c1=O ZINC000521273578 1025306054 /nfs/dbraw/zinc/30/60/54/1025306054.db2.gz WMWACQYILXNOAT-SNVBAGLBSA-N -1 0 337.832 3.572 20 0 EHADRM COc1ccc(-c2n[n-]c(=NCc3csc4ccccc34)o2)cc1 ZINC000436023024 1025306765 /nfs/dbraw/zinc/30/67/65/1025306765.db2.gz AERSQOUPMBDGCY-UHFFFAOYSA-N -1 0 337.404 3.994 20 0 EHADRM CCCc1nc(=NC(=O)N(CC)Cc2ccc(Cl)cc2)s[n-]1 ZINC000515529717 1025326636 /nfs/dbraw/zinc/32/66/36/1025326636.db2.gz FHVKISZGGNNVTB-UHFFFAOYSA-N -1 0 338.864 3.620 20 0 EHADRM O=C([O-])[C@H]1CC12CCN(c1ncnc3sc4ccccc4c31)CC2 ZINC000582124986 1025345830 /nfs/dbraw/zinc/34/58/30/1025345830.db2.gz BHSBUWRPWXFACA-GFCCVEGCSA-N -1 0 339.420 3.536 20 0 EHADRM CC[C@H](O)CSc1n[n-]c(=Nc2ccc(C)c(Cl)c2)s1 ZINC000442536580 1025351431 /nfs/dbraw/zinc/35/14/31/1025351431.db2.gz AELRAMYPVJVPEP-JTQLQIEISA-N -1 0 329.878 3.528 20 0 EHADRM CO[C@H](C)c1nc(=NC(=O)c2oc3c(c2C)c(C)ccc3C)s[n-]1 ZINC000511080299 1025382914 /nfs/dbraw/zinc/38/29/14/1025382914.db2.gz NODWFGVTWXGECS-LLVKDONJSA-N -1 0 345.424 3.591 20 0 EHADRM Cc1n[nH]cc1-c1n[n-]c(=NCc2c(Cl)oc3ccccc32)s1 ZINC000436155388 1025420619 /nfs/dbraw/zinc/42/06/19/1025420619.db2.gz TZVRTPPYOBTEOI-UHFFFAOYSA-N -1 0 345.815 3.670 20 0 EHADRM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000436171547 1025433419 /nfs/dbraw/zinc/43/34/19/1025433419.db2.gz CRDUQTQMJFQQBD-UHFFFAOYSA-N -1 0 326.830 3.992 20 0 EHADRM CCn1c2ccccc2nc1[C@@H](C)N=c1nc(C(F)(F)F)[n-]s1 ZINC000347055304 1025452271 /nfs/dbraw/zinc/45/22/71/1025452271.db2.gz OTXCTLDCCJTIFE-MRVPVSSYSA-N -1 0 341.362 3.522 20 0 EHADRM O=S(=O)([N-]c1ccccc1C(F)(F)F)c1cc(F)ccc1F ZINC000014256068 1025459664 /nfs/dbraw/zinc/45/96/64/1025459664.db2.gz STWDQCCUFFFVOM-UHFFFAOYSA-N -1 0 337.269 3.784 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2noc(C)c2C)cc1C(C)C ZINC000451048932 1025469504 /nfs/dbraw/zinc/46/95/04/1025469504.db2.gz LNJRILCEJKNFCV-UHFFFAOYSA-N -1 0 338.429 3.533 20 0 EHADRM CC(C)(C)OC(=O)c1ccc(NC(=O)c2cc(C3CC3)no2)c(F)c1 ZINC000281855786 1025593545 /nfs/dbraw/zinc/59/35/45/1025593545.db2.gz NWDVZFRDWBGDIQ-UHFFFAOYSA-N -1 0 346.358 3.899 20 0 EHADRM CC(C)c1cccnc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000342456836 1025610774 /nfs/dbraw/zinc/61/07/74/1025610774.db2.gz YSYOTOZTKLQHAP-UHFFFAOYSA-N -1 0 326.368 3.943 20 0 EHADRM Cc1cc(C([O-])=C[S@](=O)[C@@H](C)c2ccc(Cl)cc2)c(C)n1C ZINC000521715904 1025618600 /nfs/dbraw/zinc/61/86/00/1025618600.db2.gz FCKIRWQYQCNXKB-XMHCIUCPSA-N -1 0 337.872 3.988 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000436359282 1025620126 /nfs/dbraw/zinc/62/01/26/1025620126.db2.gz DBKHGMUKYFHIES-PKOBYXMFSA-N -1 0 344.418 3.607 20 0 EHADRM CCCN(C(=O)Nc1cccc(COC(C)C)c1)[C@@H](CC)C(=O)[O-] ZINC000582219413 1025622422 /nfs/dbraw/zinc/62/24/22/1025622422.db2.gz XBBIESBCNSLNJV-INIZCTEOSA-N -1 0 336.432 3.719 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2cc(Cl)cc(F)c2F)CCCC1 ZINC000443032847 1025671391 /nfs/dbraw/zinc/67/13/91/1025671391.db2.gz LPZUIJHBOQURHR-UHFFFAOYSA-N -1 0 331.746 3.982 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CCC[C@@]2(CCSC2)C1 ZINC000515867448 1025690039 /nfs/dbraw/zinc/69/00/39/1025690039.db2.gz LZYUQQRHRBCJBL-OAHLLOKOSA-N -1 0 345.386 3.770 20 0 EHADRM CCCC[C@@H](NC(=O)CCCc1csc2ccccc12)C(=O)[O-] ZINC000347261119 1025757182 /nfs/dbraw/zinc/75/71/82/1025757182.db2.gz NHEKRFGARHPOGK-OAHLLOKOSA-N -1 0 333.453 3.984 20 0 EHADRM C[C@H]1CCC[C@@H](N(C)C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])C1 ZINC000436470655 1025763127 /nfs/dbraw/zinc/76/31/27/1025763127.db2.gz SAGHPRDPVKQKNH-SWLSCSKDSA-N -1 0 347.846 3.882 20 0 EHADRM O=S(=O)([N-]c1cccc2[nH]ccc21)c1cnc2ccc(F)cc2c1 ZINC000436476639 1025770995 /nfs/dbraw/zinc/77/09/95/1025770995.db2.gz JSXVIMJMKUCSMV-UHFFFAOYSA-N -1 0 341.367 3.656 20 0 EHADRM C[C@H](NC(=O)c1ccc(F)cc1[O-])c1cccc(OC(F)F)c1 ZINC000436529841 1025834641 /nfs/dbraw/zinc/83/46/41/1025834641.db2.gz SVEDNXCEFAMBTD-VIFPVBQESA-N -1 0 325.286 3.624 20 0 EHADRM O=C(c1cc(F)cc(Br)c1[O-])N1CC(C2CCCC2)C1 ZINC000436547869 1025847124 /nfs/dbraw/zinc/84/71/24/1025847124.db2.gz SXQDBIIRPVOUJN-UHFFFAOYSA-N -1 0 342.208 3.556 20 0 EHADRM CCN(C(=O)c1cc(F)cc(Cl)c1[O-])[C@@H]1CCOC(C)(C)C1 ZINC000436565386 1025894127 /nfs/dbraw/zinc/89/41/27/1025894127.db2.gz JIICSHURSWJTEA-LLVKDONJSA-N -1 0 329.799 3.604 20 0 EHADRM CC(C)[C@H](CC(F)(F)F)NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436566171 1025898091 /nfs/dbraw/zinc/89/80/91/1025898091.db2.gz VSIKAJDYVWAVNV-JTQLQIEISA-N -1 0 327.705 3.892 20 0 EHADRM COc1ccccc1SC[C@@H](C)CNC(=O)c1ccc(C)cc1O ZINC000436595620 1025913517 /nfs/dbraw/zinc/91/35/17/1025913517.db2.gz MKCXSBAGDFTAAA-AWEZNQCLSA-N -1 0 345.464 3.867 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CC[C@H](COc2ccccc2)C1 ZINC000436595297 1025914930 /nfs/dbraw/zinc/91/49/30/1025914930.db2.gz LCVPRBLFDZFYRH-ZDUSSCGKSA-N -1 0 331.799 3.587 20 0 EHADRM CC(C)c1ccsc1C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000347356760 1025932639 /nfs/dbraw/zinc/93/26/39/1025932639.db2.gz CPFRONCCWNBMJJ-OAHLLOKOSA-N -1 0 329.421 3.696 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCOCC12CCCC2 ZINC000436601779 1025933763 /nfs/dbraw/zinc/93/37/63/1025933763.db2.gz KKLGDSRCNRHGPP-UHFFFAOYSA-N -1 0 345.826 3.984 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)c(C)c1 ZINC000443355807 1025943416 /nfs/dbraw/zinc/94/34/16/1025943416.db2.gz LEESVCRRTGYGPA-UHFFFAOYSA-N -1 0 328.393 3.759 20 0 EHADRM CSc1ccc(CCNC(=O)c2cc(F)c([O-])c(Cl)c2)cc1 ZINC000436632565 1025962695 /nfs/dbraw/zinc/96/26/95/1025962695.db2.gz CARFSEAUHFYMBJ-UHFFFAOYSA-N -1 0 339.819 3.879 20 0 EHADRM Cc1nn(C)c2cc(NC(=O)c3cc(F)c([O-])c(Cl)c3)ccc12 ZINC000436639632 1025970172 /nfs/dbraw/zinc/97/01/72/1025970172.db2.gz FBZAFLWDCOVMSK-UHFFFAOYSA-N -1 0 333.750 3.632 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cccc(OC(F)F)c2)c1 ZINC000436652211 1025980436 /nfs/dbraw/zinc/98/04/36/1025980436.db2.gz KZOVMFGJYQMTGD-UHFFFAOYSA-N -1 0 335.306 3.839 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CSc2ccc(F)cc2)c1 ZINC000436652406 1025981074 /nfs/dbraw/zinc/98/10/74/1025981074.db2.gz MYRXWWBQBPWIRC-UHFFFAOYSA-N -1 0 333.384 3.855 20 0 EHADRM CCc1cc(C(=O)N=c2nc(-c3ccccc3)[n-]s2)sc1C ZINC000614689035 1025990375 /nfs/dbraw/zinc/99/03/75/1025990375.db2.gz ULVXYUYWAGMWPV-UHFFFAOYSA-N -1 0 329.450 3.812 20 0 EHADRM O=C(Nc1c[nH]nc1-c1ccccc1F)c1ccc([O-])c(Cl)c1 ZINC000436645215 1025994006 /nfs/dbraw/zinc/99/40/06/1025994006.db2.gz BOZLKXJHQBFVNB-UHFFFAOYSA-N -1 0 331.734 3.827 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cccc3c2OC(C)(C)C3)cc1C ZINC000530542056 1025996940 /nfs/dbraw/zinc/99/69/40/1025996940.db2.gz OIERAULPELWYNV-UHFFFAOYSA-N -1 0 347.436 3.518 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCc3cc(C)ccc3O2)c1 ZINC000436648914 1025998487 /nfs/dbraw/zinc/99/84/87/1025998487.db2.gz NOIQRJLEJXWKLC-IBGZPJMESA-N -1 0 339.391 3.626 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(-c3ccccc3)on2)c1 ZINC000436649037 1025999073 /nfs/dbraw/zinc/99/90/73/1025999073.db2.gz QSWFBAVRQFFHPR-UHFFFAOYSA-N -1 0 336.347 3.892 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2ncccc2C(C)C)c(C)c1 ZINC000443420534 1026015381 /nfs/dbraw/zinc/01/53/81/1026015381.db2.gz VFINSTYIPJWQOX-UHFFFAOYSA-N -1 0 334.441 3.713 20 0 EHADRM CCc1cccnc1[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000443419552 1026016544 /nfs/dbraw/zinc/01/65/44/1026016544.db2.gz VXTHJDDCSLHMLC-UHFFFAOYSA-N -1 0 334.372 3.639 20 0 EHADRM O=C(NCC1(C(F)(F)F)CCC1)c1cc(F)c([O-])c(Cl)c1 ZINC000436685299 1026039114 /nfs/dbraw/zinc/03/91/14/1026039114.db2.gz LPTHJEMUCBVXAO-UHFFFAOYSA-N -1 0 325.689 3.647 20 0 EHADRM CO[C@H](C)c1nc(=NC(=O)[C@H](CCc2ccccc2)C(C)C)s[n-]1 ZINC000451501378 1026045773 /nfs/dbraw/zinc/04/57/73/1026045773.db2.gz PICWKDSIBMSNHG-UKRRQHHQSA-N -1 0 347.484 3.511 20 0 EHADRM O=S(=O)(C=C([O-])c1ccccc1F)c1ccccc1C(F)(F)F ZINC000323875214 1026059793 /nfs/dbraw/zinc/05/97/93/1026059793.db2.gz SOIUFCOZRNLBIV-UHFFFAOYSA-N -1 0 346.301 3.501 20 0 EHADRM Cc1nc([C@H](C)NC(=O)c2cscc2C(F)F)sc1C(=O)[O-] ZINC000909504203 1026071134 /nfs/dbraw/zinc/07/11/34/1026071134.db2.gz RVRNPCBURCRPSX-LURJTMIESA-N -1 0 346.380 3.640 20 0 EHADRM CCN(C(=O)c1ccc(C(=O)[O-])s1)[C@@H](C)c1cccc(OC)c1 ZINC000237028636 1026076545 /nfs/dbraw/zinc/07/65/45/1026076545.db2.gz KCQIOFBJESPQBL-NSHDSACASA-N -1 0 333.409 3.678 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)CCCSC(C)(C)C)sc1C(=O)[O-] ZINC000909504294 1026081568 /nfs/dbraw/zinc/08/15/68/1026081568.db2.gz ASISKGGSSLCNBB-SNVBAGLBSA-N -1 0 344.502 3.639 20 0 EHADRM CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)c1ccc([O-])c(Cl)c1 ZINC000436727290 1026117232 /nfs/dbraw/zinc/11/72/32/1026117232.db2.gz YMTPFRXGTHIFCE-HUUCEWRRSA-N -1 0 325.836 3.711 20 0 EHADRM O=C(Nc1ccc(N2CCCCC2)cn1)c1ccc([O-])c(Cl)c1 ZINC000436733259 1026125132 /nfs/dbraw/zinc/12/51/32/1026125132.db2.gz VDIZAVBKBHTRDP-UHFFFAOYSA-N -1 0 331.803 3.683 20 0 EHADRM O=C(NCCOCC(F)(F)F)c1cc(Cl)c2ccccc2c1[O-] ZINC000436758718 1026128503 /nfs/dbraw/zinc/12/85/03/1026128503.db2.gz NVYSDUHYVPJFDE-UHFFFAOYSA-N -1 0 347.720 3.508 20 0 EHADRM O=C(Nc1cccc(OCC(F)(F)F)c1)c1ccc(F)cc1[O-] ZINC000436760895 1026129742 /nfs/dbraw/zinc/12/97/42/1026129742.db2.gz TZQKTPWLRVAHJX-UHFFFAOYSA-N -1 0 329.249 3.725 20 0 EHADRM CC(C)C[C@H](NC(=O)c1ccc([O-])c(Cl)c1)C(=O)OC(C)(C)C ZINC000436750820 1026139392 /nfs/dbraw/zinc/13/93/92/1026139392.db2.gz HJMZWWAWCXLFSM-ZDUSSCGKSA-N -1 0 341.835 3.532 20 0 EHADRM C[C@@H]1COc2ccccc2CN1C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436772314 1026150196 /nfs/dbraw/zinc/15/01/96/1026150196.db2.gz JLDRVMBTRJPVRT-SNVBAGLBSA-N -1 0 335.762 3.608 20 0 EHADRM CCC(CC)(NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000342539856 1026177890 /nfs/dbraw/zinc/17/78/90/1026177890.db2.gz DDEHXRCTSRYCRL-GHMZBOCLSA-N -1 0 344.238 3.857 20 0 EHADRM CO[C@H](C)c1nc(=NC(=O)CCc2ccc(C(C)(C)C)cc2)s[n-]1 ZINC000511129427 1026311745 /nfs/dbraw/zinc/31/17/45/1026311745.db2.gz BTFXRPWMWVSBJU-GFCCVEGCSA-N -1 0 347.484 3.536 20 0 EHADRM CCOCc1nc(C)c(C(=O)Nc2cc(C(=O)CC)ccc2[O-])s1 ZINC000451893048 1026357482 /nfs/dbraw/zinc/35/74/82/1026357482.db2.gz QJMWUVDXGNBVDD-UHFFFAOYSA-N -1 0 348.424 3.539 20 0 EHADRM CCC(CC)(CC(=O)NCc1cccc(-c2cccnc2)c1)C(=O)[O-] ZINC000342616291 1026477903 /nfs/dbraw/zinc/47/79/03/1026477903.db2.gz GFNDTGWAJXTLMT-UHFFFAOYSA-N -1 0 340.423 3.646 20 0 EHADRM CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000511149152 1026494496 /nfs/dbraw/zinc/49/44/96/1026494496.db2.gz DEQFUTBSTBJBEV-UHFFFAOYSA-N -1 0 347.436 3.520 20 0 EHADRM Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2cccc(F)c2)s1 ZINC000122532810 1026529625 /nfs/dbraw/zinc/52/96/25/1026529625.db2.gz NWPCQUYDMOBXIS-UHFFFAOYSA-N -1 0 328.434 3.590 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)no1 ZINC000531111593 1026585075 /nfs/dbraw/zinc/58/50/75/1026585075.db2.gz WSBNRKADGXTTAS-UHFFFAOYSA-N -1 0 328.349 3.683 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)CCC1 ZINC000262487739 1026589070 /nfs/dbraw/zinc/58/90/70/1026589070.db2.gz ITFUFMONCBDXMV-QGZVFWFLSA-N -1 0 333.403 3.818 20 0 EHADRM CCC[C@@H]([N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)C(C)(C)C ZINC001211897331 1026607184 /nfs/dbraw/zinc/60/71/84/1026607184.db2.gz QNPMSFYPHLQZHE-SNVBAGLBSA-N -1 0 341.370 3.736 20 0 EHADRM CC(C)Oc1ccccc1[C@@H](C)NC(=O)C1=C(C(=O)[O-])CCCC1 ZINC000326969386 1026868963 /nfs/dbraw/zinc/86/89/63/1026868963.db2.gz GJHIXROUTVXSFH-CYBMUJFWSA-N -1 0 331.412 3.606 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)[C@@H](C)C(C)C)n2)c1 ZINC000531465411 1026943885 /nfs/dbraw/zinc/94/38/85/1026943885.db2.gz KVJNBSKEANKKDW-AWEZNQCLSA-N -1 0 329.444 3.818 20 0 EHADRM CCO[C@@H]1CCN(C(=O)c2c([O-])cc(Cl)cc2Cl)C[C@H]1C ZINC000452827784 1027046906 /nfs/dbraw/zinc/04/69/06/1027046906.db2.gz MBZCNNROWXCQSX-NOZJJQNGSA-N -1 0 332.227 3.586 20 0 EHADRM CCC(CC)(CC(=O)N[C@H]1CCCO[C@@H]1c1ccc(C)cc1)C(=O)[O-] ZINC000074797404 1027076839 /nfs/dbraw/zinc/07/68/39/1027076839.db2.gz OMYOLMOGAMRURA-FUHWJXTLSA-N -1 0 347.455 3.612 20 0 EHADRM CCn1nnc(C)c1/C=C(/CCC(=O)[O-])c1nc2ccccc2s1 ZINC000453011569 1027224858 /nfs/dbraw/zinc/22/48/58/1027224858.db2.gz CBJHHOWQKUNDQO-BENRWUELSA-N -1 0 342.424 3.622 20 0 EHADRM CCCn1ncc(NC(=O)c2cc(F)c(F)c([O-])c2F)c1C1CC1 ZINC000453002766 1027245290 /nfs/dbraw/zinc/24/52/90/1027245290.db2.gz YGAXJFNYSWWEBF-UHFFFAOYSA-N -1 0 339.317 3.546 20 0 EHADRM Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000126941831 1027254988 /nfs/dbraw/zinc/25/49/88/1027254988.db2.gz HNBFYPYHZJBFIC-UHFFFAOYSA-N -1 0 334.441 3.860 20 0 EHADRM Cc1cnc([C@H](C)Sc2n[n-]c(=NCCc3ccccc3)s2)o1 ZINC000536558559 1027296670 /nfs/dbraw/zinc/29/66/70/1027296670.db2.gz IFAWFECZQMAOJA-LBPRGKRZSA-N -1 0 346.481 3.764 20 0 EHADRM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000614739376 1027316539 /nfs/dbraw/zinc/31/65/39/1027316539.db2.gz REEQXJHQGAUPEE-UHFFFAOYSA-N -1 0 325.817 3.848 20 0 EHADRM COc1cc(S(=O)(=O)[N-]c2nc(C(C)C)cs2)ccc1Cl ZINC000414445940 1027405791 /nfs/dbraw/zinc/40/57/91/1027405791.db2.gz XLEGMAOMYGJOPA-UHFFFAOYSA-N -1 0 346.861 3.729 20 0 EHADRM CC(C)CCN(C(=O)N=c1[n-]nc(C(F)F)s1)C1CCCC1 ZINC000444388216 1027436399 /nfs/dbraw/zinc/43/63/99/1027436399.db2.gz JMGVYKPIYDWXDU-UHFFFAOYSA-N -1 0 332.420 3.720 20 0 EHADRM CCCN(Cc1ccccc1F)C(=O)Cc1ccccc1C(=O)[O-] ZINC000659215253 1027545498 /nfs/dbraw/zinc/54/54/98/1027545498.db2.gz CPTQLAXANAOJQT-UHFFFAOYSA-N -1 0 329.371 3.505 20 0 EHADRM CN(C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-])C1CCCC1 ZINC000320924779 1027569849 /nfs/dbraw/zinc/56/98/49/1027569849.db2.gz IBXRKWLDJFEWDB-UHFFFAOYSA-N -1 0 330.306 3.810 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)c(Cl)c1 ZINC000607331543 1027589315 /nfs/dbraw/zinc/58/93/15/1027589315.db2.gz OKSQVZHGCXYTJQ-UHFFFAOYSA-N -1 0 335.734 3.867 20 0 EHADRM CCc1sc(C(=O)N[C@@H](C)c2nc(C)c(C(=O)[O-])s2)cc1C ZINC000237103949 1027633626 /nfs/dbraw/zinc/63/36/26/1027633626.db2.gz JPKYDBUHOFIBJK-VIFPVBQESA-N -1 0 338.454 3.573 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)CCCc2ccccc2)s[n-]1 ZINC000472257756 1027662135 /nfs/dbraw/zinc/66/21/35/1027662135.db2.gz NURHDDLQAIJVKS-UHFFFAOYSA-N -1 0 343.477 3.958 20 0 EHADRM CCC[C@](C)(NC(=O)Nc1cccc(SC(F)F)c1)C(=O)[O-] ZINC000780534476 1027722674 /nfs/dbraw/zinc/72/26/74/1027722674.db2.gz LVKTYVMMPDYIKI-AWEZNQCLSA-N -1 0 332.372 3.766 20 0 EHADRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C1[C@H]2CCCCCC[C@H]12 ZINC000665862747 1027847296 /nfs/dbraw/zinc/84/72/96/1027847296.db2.gz KRIWDNPCIYVJTL-RYUDHWBXSA-N -1 0 345.468 3.572 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2nc3ccccc3n2C2CCCC2)CCC1 ZINC000262542930 1027862869 /nfs/dbraw/zinc/86/28/69/1027862869.db2.gz RJQHDZXXEVIXQN-UHFFFAOYSA-N -1 0 341.411 3.735 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2cc(-c3ncco3)ccc2C)cc1F ZINC000134687693 1028138062 /nfs/dbraw/zinc/13/80/62/1028138062.db2.gz GJGLLMHENLQINJ-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM Cc1cc(Nc2cc(Cl)cc(C(=O)[O-])c2)n(Cc2cccnc2)n1 ZINC001211958212 1028165574 /nfs/dbraw/zinc/16/55/74/1028165574.db2.gz FQTDADZFTWBCPW-UHFFFAOYSA-N -1 0 342.786 3.730 20 0 EHADRM Cc1cnn(Cc2ccncc2)c1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211958437 1028170376 /nfs/dbraw/zinc/17/03/76/1028170376.db2.gz QQZFXSZFMJULBW-UHFFFAOYSA-N -1 0 342.786 3.730 20 0 EHADRM CC(C)c1cc2ncc(Nc3cc(Cl)cc(C(=O)[O-])c3)cn2n1 ZINC001211962441 1028216607 /nfs/dbraw/zinc/21/66/07/1028216607.db2.gz FBHHRDJHBGRBTE-UHFFFAOYSA-N -1 0 330.775 3.948 20 0 EHADRM Cc1cccc(C2=CCN(C(=O)CC3CCC(C(=O)[O-])CC3)CC2)c1 ZINC000582910583 1028234314 /nfs/dbraw/zinc/23/43/14/1028234314.db2.gz MJAKBAOZCLDLBC-UHFFFAOYSA-N -1 0 341.451 3.892 20 0 EHADRM CC(=O)COC(=O)c1ccccc1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211966875 1028321243 /nfs/dbraw/zinc/32/12/43/1028321243.db2.gz PWSOCLFOUFLOGV-UHFFFAOYSA-N -1 0 347.754 3.528 20 0 EHADRM CCN(CCO)c1ccc(Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC001211967255 1028338806 /nfs/dbraw/zinc/33/88/06/1028338806.db2.gz YEZYIAKBNNKKAX-UHFFFAOYSA-N -1 0 334.803 3.600 20 0 EHADRM CCOC(=O)Cc1cccc(Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC001211969349 1028424830 /nfs/dbraw/zinc/42/48/30/1028424830.db2.gz DXNRJRQIFIKUII-UHFFFAOYSA-N -1 0 333.771 3.887 20 0 EHADRM C[C@@H]1C[C@@H](CC(F)(F)F)[C@H](C)N1C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000630322409 1028434750 /nfs/dbraw/zinc/43/47/50/1028434750.db2.gz RYVNYXOUJRTIEL-CJQNXBEJSA-N -1 0 349.393 3.845 20 0 EHADRM CC[C@H](C)C(=O)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000523558983 1028438887 /nfs/dbraw/zinc/43/88/87/1028438887.db2.gz DKORVPFJGRFUIA-JTQLQIEISA-N -1 0 344.411 3.948 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)s1 ZINC000434219257 1028446699 /nfs/dbraw/zinc/44/66/99/1028446699.db2.gz CREZAJLFGJGRED-AWEZNQCLSA-N -1 0 344.484 3.570 20 0 EHADRM Cc1ccc([C@H]2CCCCN2C(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC000262211983 1028517144 /nfs/dbraw/zinc/51/71/44/1028517144.db2.gz PURYHFUDBUIVAV-LJQANCHMSA-N -1 0 337.419 3.990 20 0 EHADRM CN(Cc1ccccc1Cl)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000072857276 1028522894 /nfs/dbraw/zinc/52/28/94/1028522894.db2.gz VDJULVPXNUSBLJ-UHFFFAOYSA-N -1 0 341.798 3.504 20 0 EHADRM CC(C)(C)CCCC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000236601187 1028559341 /nfs/dbraw/zinc/55/93/41/1028559341.db2.gz CUAKPHBPKXFBPD-MRXNPFEDSA-N -1 0 348.418 3.635 20 0 EHADRM Cc1cc2occ(CC(=O)N(CCC(=O)[O-])CC(C)C)c2cc1C ZINC000236720398 1028576975 /nfs/dbraw/zinc/57/69/75/1028576975.db2.gz IJKCNFNSCOJVTC-UHFFFAOYSA-N -1 0 331.412 3.551 20 0 EHADRM Cc1cc(C(=O)N=c2[n-]nc(-c3ccccc3Cl)s2)ccc1F ZINC000504335430 1028578074 /nfs/dbraw/zinc/57/80/74/1028578074.db2.gz WQNULWRUHGMTIH-UHFFFAOYSA-N -1 0 347.802 3.980 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000236836068 1028589957 /nfs/dbraw/zinc/58/99/57/1028589957.db2.gz JROQXSIJNLMDFT-NWDGAFQWSA-N -1 0 343.345 3.569 20 0 EHADRM CCc1ccc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)cc1 ZINC000237135094 1028642129 /nfs/dbraw/zinc/64/21/29/1028642129.db2.gz WQQWRWGJPNIMQN-UHFFFAOYSA-N -1 0 325.408 3.756 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)c2cc3ccccc3s2)sc1C(=O)[O-] ZINC000237338808 1028646200 /nfs/dbraw/zinc/64/62/00/1028646200.db2.gz TVZOHFMZUQMEHX-SECBINFHSA-N -1 0 346.433 3.855 20 0 EHADRM CC(C)CN(Cc1ccccn1)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000928737543 1028650749 /nfs/dbraw/zinc/65/07/49/1028650749.db2.gz VXABIKRDEWTUCR-UHFFFAOYSA-N -1 0 336.794 3.878 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)CCCOc1ccc(C(C)(C)C)cc1 ZINC000237500554 1028653448 /nfs/dbraw/zinc/65/34/48/1028653448.db2.gz GMUAMOFAVJQOPH-AWEZNQCLSA-N -1 0 335.444 3.513 20 0 EHADRM C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(C(=O)[O-])s1 ZINC000237605115 1028656693 /nfs/dbraw/zinc/65/66/93/1028656693.db2.gz JRHQYBGRAINNTE-VIFPVBQESA-N -1 0 346.433 3.889 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1csc2c1CCCC2 ZINC000237670592 1028661883 /nfs/dbraw/zinc/66/18/83/1028661883.db2.gz CFEQUMUZRJCVAX-INIZCTEOSA-N -1 0 343.448 3.881 20 0 EHADRM Cc1nc(-c2cccs2)sc1C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000523845990 1028671327 /nfs/dbraw/zinc/67/13/27/1028671327.db2.gz RCLVRULLQANVFO-UHFFFAOYSA-N -1 0 342.449 3.522 20 0 EHADRM O=C([O-])CCCCCNC(=O)CCOc1cccc(Cl)c1Cl ZINC000238140539 1028678858 /nfs/dbraw/zinc/67/88/58/1028678858.db2.gz HBVQLSKOANQVBX-UHFFFAOYSA-N -1 0 348.226 3.524 20 0 EHADRM CCc1cc(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)ccc1F ZINC000504482883 1028683403 /nfs/dbraw/zinc/68/34/03/1028683403.db2.gz TWZLHODJNHZVEF-UHFFFAOYSA-N -1 0 341.382 3.587 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@H](c2ccccc2F)C2CCCC2)CCC1 ZINC000262560882 1028711264 /nfs/dbraw/zinc/71/12/64/1028711264.db2.gz WGLKYHQVVQOSKR-KRWDZBQOSA-N -1 0 333.403 3.818 20 0 EHADRM CCCOc1ccc(S(=O)(=O)[N-]c2nc(CCC)cs2)cc1 ZINC000504548210 1028728682 /nfs/dbraw/zinc/72/86/82/1028728682.db2.gz OMXRTBNYKXGKBK-UHFFFAOYSA-N -1 0 340.470 3.685 20 0 EHADRM c1coc(CN=c2[n-]nc(SC[C@@H]3CCc4ccccc43)s2)c1 ZINC000502862760 1028775132 /nfs/dbraw/zinc/77/51/32/1028775132.db2.gz QTQZUQQDKLRJDS-ZDUSSCGKSA-N -1 0 343.477 3.987 20 0 EHADRM Cc1cc(C)cc(CN(C)C(=O)N=c2nc(C(C)(C)C)[n-]s2)c1 ZINC000434162565 1028799452 /nfs/dbraw/zinc/79/94/52/1028799452.db2.gz ZBAYJSMQNPHCER-UHFFFAOYSA-N -1 0 332.473 3.538 20 0 EHADRM Oc1ccc(-c2noc(-c3ccc4c(c3O)CCCC4)n2)cc1F ZINC000445478907 1028836857 /nfs/dbraw/zinc/83/68/57/1028836857.db2.gz TVXXGGATBLOCPE-UHFFFAOYSA-N -1 0 326.327 3.833 20 0 EHADRM O=C(NC[C@H]1CC12CCSCC2)c1c([O-])cc(Cl)cc1Cl ZINC000421909389 1028923476 /nfs/dbraw/zinc/92/34/76/1028923476.db2.gz GUSCNKHWQHCFRS-SECBINFHSA-N -1 0 346.279 3.962 20 0 EHADRM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424395753 1029032356 /nfs/dbraw/zinc/03/23/56/1029032356.db2.gz FSMJJRMTOTYVNT-INIZCTEOSA-N -1 0 334.460 3.834 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N[C@@H](C)c1cc2ccccc2o1)C(=O)[O-] ZINC000424385555 1029040013 /nfs/dbraw/zinc/04/00/13/1029040013.db2.gz GPVONALQGKXKOJ-JSGCOSHPSA-N -1 0 332.400 3.540 20 0 EHADRM CCC(CC)(CNC(=O)N(Cc1ccc(F)cc1)C(C)C)C(=O)[O-] ZINC000424423032 1029047722 /nfs/dbraw/zinc/04/77/22/1029047722.db2.gz GRRZCJDWUAXWCS-UHFFFAOYSA-N -1 0 338.423 3.637 20 0 EHADRM COc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2CCC[C@H]2C(=O)[O-])cc1 ZINC000634855767 1029047704 /nfs/dbraw/zinc/04/77/04/1029047704.db2.gz USBNDOZTHQQOGZ-KSZLIROESA-N -1 0 345.439 3.640 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NCCC(C)(C)C(=O)[O-])o1 ZINC000424405153 1029052225 /nfs/dbraw/zinc/05/22/25/1029052225.db2.gz NSXBANXZJUJHPL-OCCSQVGLSA-N -1 0 336.432 3.572 20 0 EHADRM O=S(=O)([N-]c1nc2cc(Cl)ccc2s1)c1ccc(F)cc1 ZINC000524297651 1029059810 /nfs/dbraw/zinc/05/98/10/1029059810.db2.gz PAJAGMLIRONNAC-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM Cc1csc([N-]S(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)n1 ZINC000058704402 1029060413 /nfs/dbraw/zinc/06/04/13/1029060413.db2.gz ZPSLXAAVLWXLAL-UHFFFAOYSA-N -1 0 338.498 3.589 20 0 EHADRM Cc1ccccc1[C@@H]1CCCN1C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000424424969 1029069129 /nfs/dbraw/zinc/06/91/29/1029069129.db2.gz PTCHJMUSAFGBHY-RDJZCZTQSA-N -1 0 332.444 3.588 20 0 EHADRM C/C=C/c1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cc1 ZINC000583166358 1029081822 /nfs/dbraw/zinc/08/18/22/1029081822.db2.gz NWMIEDSGZWWUDO-SNAWJCMRSA-N -1 0 345.420 3.836 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)C[C@@H](C)c1ccccc1 ZINC000237372445 1029087675 /nfs/dbraw/zinc/08/76/75/1029087675.db2.gz XZGKNUAZBUEBQA-QAPCUYQASA-N -1 0 325.408 3.821 20 0 EHADRM CCC(CC)N(CC)C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000614941174 1029134555 /nfs/dbraw/zinc/13/45/55/1029134555.db2.gz SXVUZUVPOAHNKV-UHFFFAOYSA-N -1 0 337.370 3.507 20 0 EHADRM O=C([O-])[C@H]1CC[C@H]1C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000634867175 1029145370 /nfs/dbraw/zinc/14/53/70/1029145370.db2.gz UEGUSYLMWSTMGO-IXDOHACOSA-N -1 0 343.810 3.656 20 0 EHADRM CSc1ccc(C)c(NC(=O)CSc2n[n-]c(=S)s2)c1 ZINC000271898453 1029220957 /nfs/dbraw/zinc/22/09/57/1029220957.db2.gz GFHYWMLNOBVFOE-UHFFFAOYSA-N -1 0 343.524 3.588 20 0 EHADRM CCC(CC)(CC(=O)N[C@@H]1CCOc2c(Cl)cccc21)C(=O)[O-] ZINC000634871937 1029221524 /nfs/dbraw/zinc/22/15/24/1029221524.db2.gz VGLHBYBWHMEOKH-CYBMUJFWSA-N -1 0 339.819 3.561 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000328265432 1029249601 /nfs/dbraw/zinc/24/96/01/1029249601.db2.gz TVELACZNXULRAK-HIFRSBDPSA-N -1 0 340.379 3.854 20 0 EHADRM Cc1cc(=NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2Cl)[n-]nc1C ZINC000524508915 1029254163 /nfs/dbraw/zinc/25/41/63/1029254163.db2.gz YYMDITKOWCALGF-RYUDHWBXSA-N -1 0 336.222 3.564 20 0 EHADRM Cc1cccc2c(CCC(=O)NCCCCCCCC(=O)[O-])c[nH]c21 ZINC000271987083 1029259686 /nfs/dbraw/zinc/25/96/86/1029259686.db2.gz YHUAQCQHARZGRI-UHFFFAOYSA-N -1 0 344.455 3.950 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000524555930 1029311925 /nfs/dbraw/zinc/31/19/25/1029311925.db2.gz BTRCLVSECKHGJA-UHFFFAOYSA-N -1 0 337.448 3.834 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)cc1C ZINC000533122787 1029326459 /nfs/dbraw/zinc/32/64/59/1029326459.db2.gz OJIZFYMNZJVMNC-UHFFFAOYSA-N -1 0 341.816 3.554 20 0 EHADRM C[C@@H](SCCC[N-]C(=O)C(F)(F)F)c1ccc(F)c(F)c1 ZINC000091617760 1029413472 /nfs/dbraw/zinc/41/34/72/1029413472.db2.gz IEJNWJZIRPVWSW-MRVPVSSYSA-N -1 0 327.318 3.828 20 0 EHADRM Cc1cc(=NC(=O)c2ccccc2Sc2ccccc2)[n-]nc1C ZINC000524666196 1029424755 /nfs/dbraw/zinc/42/47/55/1029424755.db2.gz QKBWWMCMTPLRKL-UHFFFAOYSA-N -1 0 335.432 3.919 20 0 EHADRM CCc1oc(C(=O)N(CC)[C@H](C)c2cccc(OC)c2)cc1C(=O)[O-] ZINC000261599077 1029458460 /nfs/dbraw/zinc/45/84/60/1029458460.db2.gz AQYDOKWNZGAXPS-GFCCVEGCSA-N -1 0 345.395 3.772 20 0 EHADRM C/C(=C/C(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1)c1cccc(F)c1 ZINC000237474185 1029604697 /nfs/dbraw/zinc/60/46/97/1029604697.db2.gz XJCFNKKEJVPPKG-GXMKHXEJSA-N -1 0 348.399 3.570 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2ncc(C)s2)c2ccccc12 ZINC000098037214 1029641863 /nfs/dbraw/zinc/64/18/63/1029641863.db2.gz QDQOAFQUZHJCRA-UHFFFAOYSA-N -1 0 348.449 3.804 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)NC[C@@H](C)c2cccc(C)c2)s1 ZINC000524993905 1029651259 /nfs/dbraw/zinc/65/12/59/1029651259.db2.gz GOAUMWLHECMNDY-CYBMUJFWSA-N -1 0 332.473 3.536 20 0 EHADRM COc1ccc2sc(C(=O)N[C@](C)(CC(=O)[O-])C(C)C)c(C)c2c1 ZINC000262976969 1029653747 /nfs/dbraw/zinc/65/37/47/1029653747.db2.gz NCHAZBKOTJHCAZ-GOSISDBHSA-N -1 0 349.452 3.838 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@@H](C)Cc1cccc(Cl)c1 ZINC000262983687 1029654276 /nfs/dbraw/zinc/65/42/76/1029654276.db2.gz RJGHYRBFXJBGAN-LBPRGKRZSA-N -1 0 325.836 3.668 20 0 EHADRM Cc1nc(-c2ccccc2NC(=O)NC(C)(C)CCC(=O)[O-])cs1 ZINC000263007372 1029656833 /nfs/dbraw/zinc/65/68/33/1029656833.db2.gz HCFUQJUQFVFEOT-UHFFFAOYSA-N -1 0 347.440 3.883 20 0 EHADRM Brc1ccc(CN=c2[n-]nc(-c3ccccc3)o2)s1 ZINC000508566400 1029657650 /nfs/dbraw/zinc/65/76/50/1029657650.db2.gz GUNVUQQVEJPFFT-UHFFFAOYSA-N -1 0 336.214 3.595 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2cccc(OC3CCCC3)c2)C1 ZINC000263029900 1029658052 /nfs/dbraw/zinc/65/80/52/1029658052.db2.gz BBUXTRNKDOPPGC-KBPBESRZSA-N -1 0 346.427 3.583 20 0 EHADRM Cc1c(Cl)cc(F)c(NC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1F ZINC000263086133 1029664977 /nfs/dbraw/zinc/66/49/77/1029664977.db2.gz IJDFTWBQTJVPJH-VXNVDRBHSA-N -1 0 346.761 3.501 20 0 EHADRM COCc1cc(NC(=O)[C@H](c2ccccc2)C(C)C)cc(C(=O)[O-])c1 ZINC000263103094 1029667928 /nfs/dbraw/zinc/66/79/28/1029667928.db2.gz OPPHCDXKBDFELI-SFHVURJKSA-N -1 0 341.407 3.910 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)CCCc2csc3ccccc23)C1 ZINC000263143757 1029668655 /nfs/dbraw/zinc/66/86/55/1029668655.db2.gz DVXKXPLOHYWJME-DZGCQCFKSA-N -1 0 345.464 3.793 20 0 EHADRM CC(C)c1cnc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)s1 ZINC000263133167 1029669121 /nfs/dbraw/zinc/66/91/21/1029669121.db2.gz YOADBQOFZFAWTN-UHFFFAOYSA-N -1 0 333.413 3.928 20 0 EHADRM CCC[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000263188761 1029671227 /nfs/dbraw/zinc/67/12/27/1029671227.db2.gz MIEJSDFXKVKDEO-WQAKAFBOSA-N -1 0 344.238 3.714 20 0 EHADRM CCC[C@H](CNC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000263169398 1029671497 /nfs/dbraw/zinc/67/14/97/1029671497.db2.gz KLRWNOYZGNXFSH-IIMNLJJBSA-N -1 0 344.238 3.714 20 0 EHADRM Cc1ccc(C(C)C)c(OCC(=O)NCc2ccc(C(=O)[O-])s2)c1 ZINC000263187721 1029671869 /nfs/dbraw/zinc/67/18/69/1029671869.db2.gz KXVHKPYFRINEBK-UHFFFAOYSA-N -1 0 347.436 3.573 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2cc(C(F)F)ccc2Cl)C1 ZINC000263197591 1029673152 /nfs/dbraw/zinc/67/31/52/1029673152.db2.gz WSQNHKVYPHJULF-SCZZXKLOSA-N -1 0 346.761 3.852 20 0 EHADRM COc1ccc([C@H]2CCCCCN2C(=O)CC2(C(=O)[O-])CCC2)cc1 ZINC000262570971 1029673996 /nfs/dbraw/zinc/67/39/96/1029673996.db2.gz ZBYLAPKSUYDYDJ-QGZVFWFLSA-N -1 0 345.439 3.784 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Cc1ccc(Cl)s1)c1ccccc1 ZINC000263219792 1029675728 /nfs/dbraw/zinc/67/57/28/1029675728.db2.gz YLJCWDXXOQVNLF-BMIGLBTASA-N -1 0 337.828 3.522 20 0 EHADRM C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000263339791 1029689018 /nfs/dbraw/zinc/68/90/18/1029689018.db2.gz RPHPBEOBXCIUPZ-AXFHLTTASA-N -1 0 344.238 3.542 20 0 EHADRM CCCN(CCc1cccs1)C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC000263355159 1029690493 /nfs/dbraw/zinc/69/04/93/1029690493.db2.gz WSUGREWONPNCQW-UHFFFAOYSA-N -1 0 331.437 3.850 20 0 EHADRM CC1(C)CCc2ccccc2[C@H](NC(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000263370662 1029691454 /nfs/dbraw/zinc/69/14/54/1029691454.db2.gz MUPXCCWUZKZBNB-QGZVFWFLSA-N -1 0 344.455 3.596 20 0 EHADRM COc1cc(CN=c2[n-]nc(-c3ccccc3)o2)ccc1OC(C)C ZINC000508568375 1029697708 /nfs/dbraw/zinc/69/77/08/1029697708.db2.gz KKQHNZBJBWWZDY-UHFFFAOYSA-N -1 0 339.395 3.566 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)NCc1ccc(C(C)(C)C)cc1)C1CCC1 ZINC000583358875 1029698602 /nfs/dbraw/zinc/69/86/02/1029698602.db2.gz VIPQRFYDMNZQNP-CYBMUJFWSA-N -1 0 332.444 3.521 20 0 EHADRM CCN(CC)c1ncc(CNc2cccc(CCC(=O)[O-])c2)s1 ZINC000263455837 1029701226 /nfs/dbraw/zinc/70/12/26/1029701226.db2.gz ATJIDIXQMAOYII-UHFFFAOYSA-N -1 0 333.457 3.619 20 0 EHADRM Cc1cccc(Oc2ccccc2C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])c1 ZINC000263506985 1029706402 /nfs/dbraw/zinc/70/64/02/1029706402.db2.gz BJWXCZCXVNEYOG-KGLIPLIRSA-N -1 0 327.380 3.626 20 0 EHADRM O=C([O-])[C@H]1CC[C@H]1C(=O)N(Cc1c(Cl)cccc1Cl)C1CC1 ZINC000634937023 1029727425 /nfs/dbraw/zinc/72/74/25/1029727425.db2.gz YVSUWYUMJILSGK-MNOVXSKESA-N -1 0 342.222 3.595 20 0 EHADRM CN(C(=O)CC1(CC(=O)[O-])CCCCC1)C1CCC(F)(F)CC1 ZINC000634943711 1029738431 /nfs/dbraw/zinc/73/84/31/1029738431.db2.gz GFDOYXMVBAMDSN-UHFFFAOYSA-N -1 0 331.403 3.838 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cccc(N3CCCC3)c2)c1 ZINC000615107843 1029738731 /nfs/dbraw/zinc/73/87/31/1029738731.db2.gz KMOSRUMJNBZZFE-UHFFFAOYSA-N -1 0 338.407 3.837 20 0 EHADRM CC(=O)CSCC(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000194831985 1029771956 /nfs/dbraw/zinc/77/19/56/1029771956.db2.gz OONCTDOLJDSLQI-UHFFFAOYSA-N -1 0 342.631 3.613 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)n1 ZINC000446760860 1029792740 /nfs/dbraw/zinc/79/27/40/1029792740.db2.gz WEIVRNHRNUEXMZ-UHFFFAOYSA-N -1 0 348.852 3.830 20 0 EHADRM Cc1ccc2[nH]c([N-]S(=O)(=O)c3cc(Cl)ccc3C)nc2c1 ZINC000427627522 1029827603 /nfs/dbraw/zinc/82/76/03/1029827603.db2.gz BLTRFZCQCJJVNO-UHFFFAOYSA-N -1 0 335.816 3.634 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000446903919 1029848673 /nfs/dbraw/zinc/84/86/73/1029848673.db2.gz GBUCIWWTUNSRDD-QMMMGPOBSA-N -1 0 343.210 3.800 20 0 EHADRM O=C([O-])C1(CC(=O)NCc2cccc3ccccc32)CCCCC1 ZINC000324460126 1029864433 /nfs/dbraw/zinc/86/44/33/1029864433.db2.gz XXKLLFHVKMFXKL-UHFFFAOYSA-N -1 0 325.408 3.881 20 0 EHADRM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)nn2)cc1 ZINC000446961670 1029867441 /nfs/dbraw/zinc/86/74/41/1029867441.db2.gz BJLIRBMKWZBDOC-UHFFFAOYSA-N -1 0 345.468 3.743 20 0 EHADRM O=S(=O)([N-]c1nc(C2CCC2)cs1)c1ccc2c(c1)CCC2 ZINC000446967617 1029875119 /nfs/dbraw/zinc/87/51/19/1029875119.db2.gz SZYWUXLMLLNFOF-UHFFFAOYSA-N -1 0 334.466 3.700 20 0 EHADRM COc1cc(C)cc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)c1C ZINC000278274483 1029884142 /nfs/dbraw/zinc/88/41/42/1029884142.db2.gz PBJYHLKTXDJQNN-FQEVSTJZSA-N -1 0 341.407 3.683 20 0 EHADRM COc1ccc(NS(=O)(=O)c2cc(C)c(F)cc2Cl)cc1 ZINC000120505661 1030031939 /nfs/dbraw/zinc/03/19/39/1030031939.db2.gz UKIQYDQZNYVDOB-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1 ZINC000120518121 1030039745 /nfs/dbraw/zinc/03/97/45/1030039745.db2.gz YQWAMMBSYQCAOJ-UHFFFAOYSA-N -1 0 337.344 3.576 20 0 EHADRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(C)c3ncccc23)cc1F ZINC000481857535 1030043475 /nfs/dbraw/zinc/04/34/75/1030043475.db2.gz ROPKPZCJFAGTBT-UHFFFAOYSA-N -1 0 348.374 3.931 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]c1nc2cc(F)c(C)cc2s1 ZINC000481863493 1030058019 /nfs/dbraw/zinc/05/80/19/1030058019.db2.gz CVMBQTCCABWUMC-UHFFFAOYSA-N -1 0 336.413 3.853 20 0 EHADRM C[C@]1(C(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)C[C@H]2C[C@H]2C1 ZINC000556027344 1030075132 /nfs/dbraw/zinc/07/51/32/1030075132.db2.gz LIBVGHDSNZQVJO-ORMTXKICSA-N -1 0 333.844 3.655 20 0 EHADRM CC(C)N(C)c1ccc(/C=C\c2ncc(/C=C\C(=O)[O-])s2)cn1 ZINC000588578686 1030117786 /nfs/dbraw/zinc/11/77/86/1030117786.db2.gz HNIBUEMCEPMJMJ-VVRUXRSYSA-N -1 0 329.425 3.651 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCn2ccc3ccccc32)s1 ZINC000042316195 1030129849 /nfs/dbraw/zinc/12/98/49/1030129849.db2.gz JOGISBYHGDZAIY-UHFFFAOYSA-N -1 0 348.449 3.747 20 0 EHADRM O=S(=O)([N-]c1ccccc1-c1cn[nH]c1)c1cc2ccccc2o1 ZINC000525877790 1030197098 /nfs/dbraw/zinc/19/70/98/1030197098.db2.gz XGIOTEOGRLTNHJ-UHFFFAOYSA-N -1 0 339.376 3.624 20 0 EHADRM Cc1nc(C)c(NC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])s1 ZINC000447497668 1030228349 /nfs/dbraw/zinc/22/83/49/1030228349.db2.gz AXPHIAVJGJNLKZ-UHFFFAOYSA-N -1 0 348.815 3.557 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCc2c(F)ccc(F)c2C1 ZINC000158012669 1030245378 /nfs/dbraw/zinc/24/53/78/1030245378.db2.gz RSVLJHVIAXSUKB-UHFFFAOYSA-N -1 0 341.716 3.661 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCC(=O)c2cccn21 ZINC000447539446 1030273130 /nfs/dbraw/zinc/27/31/30/1030273130.db2.gz ALFDKSUWQAWOOL-LBPRGKRZSA-N -1 0 339.178 3.657 20 0 EHADRM CC(C)[C@H]1CCCN(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])C1 ZINC000447588905 1030323281 /nfs/dbraw/zinc/32/32/81/1030323281.db2.gz VUZZYSQSCHUVMY-ZDUSSCGKSA-N -1 0 347.846 3.740 20 0 EHADRM C[C@H](O)CCCNC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000447629278 1030370050 /nfs/dbraw/zinc/37/00/50/1030370050.db2.gz MVPFALKQLITDHO-LBPRGKRZSA-N -1 0 333.815 3.603 20 0 EHADRM O=S(=O)(CCc1cccs1)[N-][C@H](c1ccccc1)C(F)(F)F ZINC000583668452 1030426262 /nfs/dbraw/zinc/42/62/62/1030426262.db2.gz KFJMCWDIDOVCIC-CYBMUJFWSA-N -1 0 349.399 3.514 20 0 EHADRM COc1n[nH]c(NC(=O)c2sc3cc(Cl)ccc3c2Cl)n1 ZINC000158919131 1030438065 /nfs/dbraw/zinc/43/80/65/1030438065.db2.gz WPJCBYWHANFIIF-UHFFFAOYSA-N -1 0 343.195 3.587 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)c3ccccc3C(F)(F)F)[nH][n-]2)o1 ZINC000447802613 1030485751 /nfs/dbraw/zinc/48/57/51/1030485751.db2.gz LWMBXJITZRDWJH-UHFFFAOYSA-N -1 0 335.285 3.671 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)N=c1cc(-c2ccc(C)o2)[n-][nH]1 ZINC000447807476 1030507648 /nfs/dbraw/zinc/50/76/48/1030507648.db2.gz RVGKQYNNUPADPV-LBPRGKRZSA-N -1 0 339.395 3.541 20 0 EHADRM Cc1cccc(C2(C(=O)NCC3(C(=O)[O-])CCC3)CCCCC2)c1 ZINC000532263054 1030512639 /nfs/dbraw/zinc/51/26/39/1030512639.db2.gz SRVYUUVVUCTPCF-UHFFFAOYSA-N -1 0 329.440 3.568 20 0 EHADRM Cc1cc(Br)c(O)c(NC(=O)[C@H](C)C(F)(F)F)c1 ZINC000482609624 1030573726 /nfs/dbraw/zinc/57/37/26/1030573726.db2.gz UQQVOGHWAGZXNI-LURJTMIESA-N -1 0 326.112 3.600 20 0 EHADRM C[C@H]1C[C@H](C)N1Cc1cc(Br)c([O-])c(Br)c1 ZINC000668090337 1030586617 /nfs/dbraw/zinc/58/66/17/1030586617.db2.gz KZAIVPPGFWNRHL-YUMQZZPRSA-N -1 0 349.066 3.900 20 0 EHADRM CCc1nc([N-]S(=O)(=O)c2ccc(F)cc2Cl)sc1C ZINC000193977165 1030636851 /nfs/dbraw/zinc/63/68/51/1030636851.db2.gz JYUVEIGUUSJORW-UHFFFAOYSA-N -1 0 334.825 3.607 20 0 EHADRM CCc1cc(NC(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])ccc1C ZINC000393006847 1030668170 /nfs/dbraw/zinc/66/81/70/1030668170.db2.gz RPHWRAVFLKOGDU-SFHVURJKSA-N -1 0 338.407 3.773 20 0 EHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000194214704 1030694972 /nfs/dbraw/zinc/69/49/72/1030694972.db2.gz MUKMKYZJVHCOQN-UHFFFAOYSA-N -1 0 327.405 3.958 20 0 EHADRM CC(C)(CC(=O)N[C@H](c1ccccc1)c1cccc(F)c1)C(=O)[O-] ZINC000583775725 1030705139 /nfs/dbraw/zinc/70/51/39/1030705139.db2.gz AKUJJAPEWKEDSB-QGZVFWFLSA-N -1 0 329.371 3.532 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2Cc3ccc(C)cc3C2)n1 ZINC000482840105 1030747228 /nfs/dbraw/zinc/74/72/28/1030747228.db2.gz CXIVQXKFJKJIJU-UHFFFAOYSA-N -1 0 347.418 3.605 20 0 EHADRM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000448157140 1030780659 /nfs/dbraw/zinc/78/06/59/1030780659.db2.gz QTOXHVYBTHKDCL-IBGZPJMESA-N -1 0 338.455 3.945 20 0 EHADRM CC(C)(C)c1nnc(N2CCC(c3ccccc3C(=O)[O-])CC2)s1 ZINC000668168696 1030831797 /nfs/dbraw/zinc/83/17/97/1030831797.db2.gz UNPYYWVYIGKUEM-UHFFFAOYSA-N -1 0 345.468 3.918 20 0 EHADRM COc1ccc(-n2ncc(C)c2Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC001211599354 1030860481 /nfs/dbraw/zinc/86/04/81/1030860481.db2.gz HCIAGYVYRPNRNF-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM Cn1nccc1S(=O)(=O)[N-]c1cccc(-c2cccc(Cl)c2)c1 ZINC000551049450 1030980734 /nfs/dbraw/zinc/98/07/34/1030980734.db2.gz FYGZKCKLJPNTBA-UHFFFAOYSA-N -1 0 347.827 3.541 20 0 EHADRM O=S(=O)([N-]c1ccc2ncsc2c1)c1cc(F)c(F)c(F)c1 ZINC000172810533 1031002443 /nfs/dbraw/zinc/00/24/43/1031002443.db2.gz XGZNOGRZHBGGOJ-UHFFFAOYSA-N -1 0 344.339 3.514 20 0 EHADRM C[C@@H]1CN(C(=O)CC2CCC(c3ccccc3)CC2)CC[C@H]1C(=O)[O-] ZINC000262887392 1031012786 /nfs/dbraw/zinc/01/27/86/1031012786.db2.gz HFXTYAXOAPRTGP-JVGQSUMCSA-N -1 0 343.467 3.920 20 0 EHADRM O=S(=O)([N-]c1cccc(OCCF)c1)c1cc(Cl)ccc1F ZINC000551107207 1031039974 /nfs/dbraw/zinc/03/99/74/1031039974.db2.gz NBKDQHMUYZPWEO-UHFFFAOYSA-N -1 0 347.770 3.628 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)N(C2CC2)C2CCCC2)cc1 ZINC000173152477 1031053478 /nfs/dbraw/zinc/05/34/78/1031053478.db2.gz ZXRBNSDGDJVGPQ-QHCPKHFHSA-N -1 0 333.497 3.851 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)on2)c(Cl)c1 ZINC000476912198 1031067284 /nfs/dbraw/zinc/06/72/84/1031067284.db2.gz YDHGDKFYEGIVLG-UHFFFAOYSA-N -1 0 328.821 3.735 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)N[C@@H](C)c1ccccc1C(F)(F)F ZINC000572601058 1031153452 /nfs/dbraw/zinc/15/34/52/1031153452.db2.gz ICCXHRAIXCANTP-QWRGUYRKSA-N -1 0 346.349 3.661 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)C(C)(C)c2cccc(Cl)c2)C1 ZINC000262902369 1031190836 /nfs/dbraw/zinc/19/08/36/1031190836.db2.gz IEQSBJLSODUZOA-SFHVURJKSA-N -1 0 337.847 3.577 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)[C@@H](C)Cc1cccc(Cl)c1 ZINC000262913990 1031290359 /nfs/dbraw/zinc/29/03/59/1031290359.db2.gz IYILKKXHKIKJDB-SJCJKPOMSA-N -1 0 325.836 3.524 20 0 EHADRM C[C@H](C(=O)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1)c1ccccc1F ZINC000343537508 1031311611 /nfs/dbraw/zinc/31/16/11/1031311611.db2.gz HBQPDEOEYKYDAP-NSHDSACASA-N -1 0 325.343 3.664 20 0 EHADRM COCc1n[n-]c(=NC[C@H](C)c2c(Cl)cccc2Cl)s1 ZINC000477188420 1031329835 /nfs/dbraw/zinc/32/98/35/1031329835.db2.gz PBUQPHPNVLTOEI-QMMMGPOBSA-N -1 0 332.256 3.629 20 0 EHADRM Cc1oc([C@H](C)N2CCO[C@@H](c3cccc(F)c3)C2)cc1C(=O)[O-] ZINC000565721482 1031374773 /nfs/dbraw/zinc/37/47/73/1031374773.db2.gz NCWCFIDQOZHSAR-APPDUMDISA-N -1 0 333.359 3.560 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)Cc1cccc(C2CC2)c1 ZINC000668278334 1031379169 /nfs/dbraw/zinc/37/91/69/1031379169.db2.gz CAXZKROXNBQLIT-LJQANCHMSA-N -1 0 337.419 3.747 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)c1cccc([C@H]2CCCOC2)c1)C(=O)[O-] ZINC000668289238 1031403926 /nfs/dbraw/zinc/40/39/26/1031403926.db2.gz RVTSRWXYKYNYGR-DLBZAZTESA-N -1 0 347.455 3.590 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000315582647 1031408225 /nfs/dbraw/zinc/40/82/25/1031408225.db2.gz QTURQGDEQKGZFA-UHFFFAOYSA-N -1 0 338.190 3.664 20 0 EHADRM CC1(C)C[C@]1(NC(=O)CC1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000668296023 1031415661 /nfs/dbraw/zinc/41/56/61/1031415661.db2.gz BZOJXEZYBBOKBP-WSNMIEGMSA-N -1 0 329.440 3.709 20 0 EHADRM Cc1cccc([C@H]2CCN(C(=O)CC3CCC(C(=O)[O-])CC3)C2)c1 ZINC000668298880 1031422840 /nfs/dbraw/zinc/42/28/40/1031422840.db2.gz MXOHDXQNMVTGMH-HTWSVDAQSA-N -1 0 329.440 3.592 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)NC2CCC(c3ccc(F)cc3)CC2)C1 ZINC000668314353 1031461251 /nfs/dbraw/zinc/46/12/51/1031461251.db2.gz NDXWVFNYAGTSEO-LPMVOBIJSA-N -1 0 347.430 3.859 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N(Cc1cccc(O)c1)CC1CC1 ZINC000151480624 1031476202 /nfs/dbraw/zinc/47/62/02/1031476202.db2.gz RYONBVFMCCFIKQ-UHFFFAOYSA-N -1 0 349.789 3.943 20 0 EHADRM O=S(=O)([N-]c1cccc2[nH]cnc21)c1c(Cl)cccc1Cl ZINC000177676130 1031586406 /nfs/dbraw/zinc/58/64/06/1031586406.db2.gz KUSGIIUVULCXCU-UHFFFAOYSA-N -1 0 342.207 3.671 20 0 EHADRM CC[C@H](Cc1ccc(NCc2c(C3CCC3)cnn2C)cc1)C(=O)[O-] ZINC000904015855 1031602403 /nfs/dbraw/zinc/60/24/03/1031602403.db2.gz ZLEYKAAGDFZOPX-OAHLLOKOSA-N -1 0 341.455 3.953 20 0 EHADRM O=C([O-])c1csc(Cc2ccc(NC[C@@H]3CCSC3)cc2)n1 ZINC000904015827 1031604316 /nfs/dbraw/zinc/60/43/16/1031604316.db2.gz YJFZBKGMKPYWEN-LBPRGKRZSA-N -1 0 334.466 3.597 20 0 EHADRM O=C([O-])C[C@H](NCc1ncc(C(F)(F)F)s1)c1ccccc1F ZINC000904045837 1031663938 /nfs/dbraw/zinc/66/39/38/1031663938.db2.gz PQPILRMVCJMXGU-JTQLQIEISA-N -1 0 348.321 3.607 20 0 EHADRM O=C(Cc1ccc(O)c(F)c1)Nc1cccc(COCC2CC2)c1 ZINC000448795480 1031703561 /nfs/dbraw/zinc/70/35/61/1031703561.db2.gz FIWRTCFOJHWKHX-UHFFFAOYSA-N -1 0 329.371 3.639 20 0 EHADRM CC[C@H](CCc1ccccc1)N=c1[n-]nc(C2CCOCC2)s1 ZINC000528124571 1031772756 /nfs/dbraw/zinc/77/27/56/1031772756.db2.gz GDLJPMWVSVCRLN-MRXNPFEDSA-N -1 0 331.485 3.677 20 0 EHADRM Cc1coc(-c2cc(N[C@@H]3C[C@@H](NC(=O)[O-])C34CCC4)ccc2C)n1 ZINC000904199456 1031845522 /nfs/dbraw/zinc/84/55/22/1031845522.db2.gz KEOXXPUQWYPPCG-HZPDHXFCSA-N -1 0 341.411 3.949 20 0 EHADRM O=C([O-])N[C@@H]1C[C@H](Nc2cccc(COCC3CC3)c2)C12CCC2 ZINC000904198429 1031845995 /nfs/dbraw/zinc/84/59/95/1031845995.db2.gz DNSHJPZPOFFCFX-DLBZAZTESA-N -1 0 330.428 3.604 20 0 EHADRM C[C@@H](NC(=O)C[C@@H](C(=O)[O-])c1ccccc1)c1cccc(C2CC2)c1 ZINC000666105986 1031866771 /nfs/dbraw/zinc/86/67/71/1031866771.db2.gz XVLHJTUZSWNAKI-AUUYWEPGSA-N -1 0 337.419 4.000 20 0 EHADRM CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(C2CCC2)c1 ZINC000584206179 1031922627 /nfs/dbraw/zinc/92/26/27/1031922627.db2.gz HUWUVIXNQDPNIG-UHFFFAOYSA-N -1 0 344.436 3.578 20 0 EHADRM Clc1ccc(Cc2n[n-]c(=NCc3cnc(C4CC4)o3)s2)cc1 ZINC000584213228 1031951306 /nfs/dbraw/zinc/95/13/06/1031951306.db2.gz PLCJOUWMOWJKLA-UHFFFAOYSA-N -1 0 346.843 3.682 20 0 EHADRM Cc1c(C(=O)[O-])cnn1-c1cccc(NC(=O)[C@H]2CCC[C@@H](C)C2)c1 ZINC000448989553 1031999014 /nfs/dbraw/zinc/99/90/14/1031999014.db2.gz GVRYVNICNFHNHK-OCCSQVGLSA-N -1 0 341.411 3.644 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)c2occc2-c2ccc(F)cc2)C1 ZINC000448996935 1032002295 /nfs/dbraw/zinc/00/22/95/1032002295.db2.gz SJBADWWKODMDOT-IBGZPJMESA-N -1 0 345.370 3.659 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(OC3CCCCC3)cc2)CC[C@H]1C(=O)[O-] ZINC000448999812 1032006988 /nfs/dbraw/zinc/00/69/88/1032006988.db2.gz IXPBFXRIBYHZKM-KBXCAEBGSA-N -1 0 345.439 3.581 20 0 EHADRM CCC(CC)n1ncc(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])c1C ZINC000449006226 1032044508 /nfs/dbraw/zinc/04/45/08/1032044508.db2.gz YCJNHFKYVIBFLI-KRWDZBQOSA-N -1 0 349.475 3.706 20 0 EHADRM Cc1cccc(-c2cnc([N-]S(=O)(=O)c3cccs3)s2)c1 ZINC000574551125 1033296402 /nfs/dbraw/zinc/29/64/02/1033296402.db2.gz HYEAJIJPHDKDHC-UHFFFAOYSA-N -1 0 336.463 3.981 20 0 EHADRM CC(C)COc1ccc(CN=c2[n-]nc(Cc3ccsc3)o2)cc1 ZINC000537490860 1033377808 /nfs/dbraw/zinc/37/78/08/1033377808.db2.gz RMIDJTVLYHITLG-UHFFFAOYSA-N -1 0 343.452 3.791 20 0 EHADRM CCc1ccc(S(=O)(=O)Nc2c(C(=O)[O-])cccc2C(C)C)cc1 ZINC000511294080 1033415739 /nfs/dbraw/zinc/41/57/39/1033415739.db2.gz CXDUGBPRQRFIRC-UHFFFAOYSA-N -1 0 347.436 3.871 20 0 EHADRM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)CC1(C(=O)[O-])CCCC1 ZINC000324593499 1033451817 /nfs/dbraw/zinc/45/18/17/1033451817.db2.gz DZHKRVDDOXAYEB-UHFFFAOYSA-N -1 0 331.456 3.978 20 0 EHADRM CO[C@@H](CN=c1[n-]c(-c2ccccc2)no1)c1cccc(Cl)c1 ZINC000608093967 1033488106 /nfs/dbraw/zinc/48/81/06/1033488106.db2.gz NPWIUWBICDHVJE-HNNXBMFYSA-N -1 0 329.787 3.612 20 0 EHADRM COc1cccc([C@H](C)NC(=O)c2c(C)ccc(C)c2C(=O)[O-])c1 ZINC000326651344 1033497816 /nfs/dbraw/zinc/49/78/16/1033497816.db2.gz YDSOCCGFBIKNAZ-ZDUSSCGKSA-N -1 0 327.380 3.501 20 0 EHADRM CCCOc1c(Cl)cc(CN=c2[n-]nc(CC)s2)cc1OC ZINC000537505421 1033507559 /nfs/dbraw/zinc/50/75/59/1033507559.db2.gz OXOMNBCYBZNHGZ-UHFFFAOYSA-N -1 0 341.864 3.585 20 0 EHADRM CC(C)[C@H](C(=O)[N-]S(=O)(=O)/C=C/c1ccccc1)c1ccccc1 ZINC000173892730 1033600156 /nfs/dbraw/zinc/60/01/56/1033600156.db2.gz RWAYKNUBZOJQDR-JKGDOXCYSA-N -1 0 343.448 3.543 20 0 EHADRM Cn1ccc2c1cccc2[N-]S(=O)(=O)c1cccc(C(F)F)c1 ZINC000780382581 1033703474 /nfs/dbraw/zinc/70/34/74/1033703474.db2.gz ITENZQRNFJQGFH-UHFFFAOYSA-N -1 0 336.363 3.917 20 0 EHADRM CSCc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)cc1 ZINC000595246249 1033717345 /nfs/dbraw/zinc/71/73/45/1033717345.db2.gz XYSQJKXSJKPPJU-YESZJQIVSA-N -1 0 347.480 3.655 20 0 EHADRM C[C@H](Cc1ccco1)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000595244467 1033719176 /nfs/dbraw/zinc/71/91/76/1033719176.db2.gz ZSWLKOABQGMTSW-CYBMUJFWSA-N -1 0 347.436 3.805 20 0 EHADRM O=C(Nc1ccc(O)c(C(F)(F)F)c1)[C@@H]1CC12CCSCC2 ZINC000450084734 1033745712 /nfs/dbraw/zinc/74/57/12/1033745712.db2.gz IYXJKJGHNJGQTF-NSHDSACASA-N -1 0 331.359 3.883 20 0 EHADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000206009706 1033830591 /nfs/dbraw/zinc/83/05/91/1033830591.db2.gz UHHZGFAPTCGODL-UHFFFAOYSA-N -1 0 337.784 3.896 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCC[C@H](C)C3)n2)c1 ZINC000084408015 1033912661 /nfs/dbraw/zinc/91/26/61/1033912661.db2.gz KZZWFFQHPXPWRQ-AWEZNQCLSA-N -1 0 327.428 3.573 20 0 EHADRM CC(C)(C)c1ccc(O)c([N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000612042325 1033918933 /nfs/dbraw/zinc/91/89/33/1033918933.db2.gz ZEWWOQFAVNCCER-UHFFFAOYSA-N -1 0 341.379 3.769 20 0 EHADRM Cc1nc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)oc1C ZINC000537600643 1033923979 /nfs/dbraw/zinc/92/39/79/1033923979.db2.gz JWMBDUQRPSOHHL-UHFFFAOYSA-N -1 0 342.376 3.992 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1N1CCc2cc(Br)cc(N)c21 ZINC001211628882 1033923816 /nfs/dbraw/zinc/92/38/16/1033923816.db2.gz MAOMTSZNQRDBDR-UHFFFAOYSA-N -1 0 347.212 3.732 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2c(C)ccc3cccnc32)c(C)c1O ZINC000476488957 1033953477 /nfs/dbraw/zinc/95/34/77/1033953477.db2.gz NEOKWJFRGQFZQR-UHFFFAOYSA-N -1 0 342.420 3.666 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c(O)c1 ZINC000119513623 1034178546 /nfs/dbraw/zinc/17/85/46/1034178546.db2.gz HVICIVRMCFGMNC-UHFFFAOYSA-N -1 0 331.315 3.520 20 0 EHADRM Cc1cc(=NC(=O)c2ccc(OCC3CCCCC3)cc2)[n-]nc1C ZINC000604233075 1034286939 /nfs/dbraw/zinc/28/69/39/1034286939.db2.gz NORQRRVNAGENPP-UHFFFAOYSA-N -1 0 339.439 3.727 20 0 EHADRM CC(=O)c1[n-]c(=N[C@H]2CCCc3cn(C4CCCC4)nc32)sc1C ZINC000450434448 1034324173 /nfs/dbraw/zinc/32/41/73/1034324173.db2.gz MYNOLRJZDCDTBI-HNNXBMFYSA-N -1 0 344.484 3.877 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1Cl)C(=O)N(C)C1CCCC1 ZINC000548876725 1034345616 /nfs/dbraw/zinc/34/56/16/1034345616.db2.gz QFOXYSQAYNXDIW-GFCCVEGCSA-N -1 0 338.835 3.610 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)NCc2oc3ccccc3c2C)s1 ZINC000604609979 1034434942 /nfs/dbraw/zinc/43/49/42/1034434942.db2.gz WFXPUNDNPUPPDB-UHFFFAOYSA-N -1 0 344.440 3.679 20 0 EHADRM CC1(c2nc(=NC(=O)c3cc(Cl)ccc3Cl)s[n-]2)CC1 ZINC000529702063 1034451214 /nfs/dbraw/zinc/45/12/14/1034451214.db2.gz GNBAIKABFQCOOJ-UHFFFAOYSA-N -1 0 328.224 3.571 20 0 EHADRM CC1(c2nc(=NC(=O)c3cc(F)c(Cl)cc3Cl)s[n-]2)CC1 ZINC000529704293 1034453667 /nfs/dbraw/zinc/45/36/67/1034453667.db2.gz ZITOTXHOOVKSEX-UHFFFAOYSA-N -1 0 346.214 3.710 20 0 EHADRM CC1(c2nc(=NC(=O)c3ccc(Cl)cc3Cl)s[n-]2)CC1 ZINC000529703962 1034454172 /nfs/dbraw/zinc/45/41/72/1034454172.db2.gz RXYKWPVITBFNJW-UHFFFAOYSA-N -1 0 328.224 3.571 20 0 EHADRM Cc1cc(O[C@@H](C)C(=O)N=c2ccc(C3CC3)n[n-]2)ccc1C(C)C ZINC000604707943 1034462505 /nfs/dbraw/zinc/46/25/05/1034462505.db2.gz CJRPSFUKGXZVBL-AWEZNQCLSA-N -1 0 339.439 3.614 20 0 EHADRM Cc1c(CNC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])sc2ccc(Cl)cc12 ZINC000450541638 1034493604 /nfs/dbraw/zinc/49/36/04/1034493604.db2.gz RLRBSJPIIRPNNG-MNOVXSKESA-N -1 0 337.828 3.590 20 0 EHADRM O=S(=O)(CC1CCCCC1)[N-][C@@H](c1ccccc1)C(F)(F)F ZINC000604762142 1034504125 /nfs/dbraw/zinc/50/41/25/1034504125.db2.gz MTSZJQVGRKRYJM-AWEZNQCLSA-N -1 0 335.391 3.790 20 0 EHADRM CCOc1ccc([C@@H](C)Nc2ccc(C(=O)[O-])cn2)cc1OCC ZINC000647445902 1034568777 /nfs/dbraw/zinc/56/87/77/1034568777.db2.gz UWBQPCRQODZVFR-GFCCVEGCSA-N -1 0 330.384 3.750 20 0 EHADRM Cc1cc(C)cc(CC(=O)Nc2cccc(CSCC(=O)[O-])c2)c1 ZINC000597156899 1034569185 /nfs/dbraw/zinc/56/91/85/1034569185.db2.gz MHIZHZFADJQPJJ-UHFFFAOYSA-N -1 0 343.448 3.802 20 0 EHADRM CCN(CCC1CC1)C(=O)c1cc(Br)c(F)cc1[O-] ZINC000450613879 1034594824 /nfs/dbraw/zinc/59/48/24/1034594824.db2.gz NQNZDLSQVLFETO-UHFFFAOYSA-N -1 0 330.197 3.556 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000060494049 1034609226 /nfs/dbraw/zinc/60/92/26/1034609226.db2.gz IBNJBQJXVOGDSN-UHFFFAOYSA-N -1 0 344.219 3.995 20 0 EHADRM CCCc1n[n-]c(=NC(=O)c2ccc(OC3CCCCC3)cc2)s1 ZINC000605079834 1034620283 /nfs/dbraw/zinc/62/02/83/1034620283.db2.gz STEOXENDDUGQMF-UHFFFAOYSA-N -1 0 345.468 3.876 20 0 EHADRM Cc1cccc(CS(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000605158416 1034656758 /nfs/dbraw/zinc/65/67/58/1034656758.db2.gz NBTNFLLFHYWDBG-HNNXBMFYSA-N -1 0 343.370 3.718 20 0 EHADRM Cc1n[n-]c(=NCc2ccc(Oc3ccccc3F)c(F)c2)s1 ZINC000525706954 1034679516 /nfs/dbraw/zinc/67/95/16/1034679516.db2.gz VKCCJVSOSSJHIB-UHFFFAOYSA-N -1 0 333.363 3.951 20 0 EHADRM C/C=C/C[C@@H](NC(=O)Nc1cccc(-c2cccs2)c1)C(=O)[O-] ZINC000569775161 1034703705 /nfs/dbraw/zinc/70/37/05/1034703705.db2.gz VNUAPQPOARYFIM-BAABZTOOSA-N -1 0 330.409 3.956 20 0 EHADRM CC[C@H](CC(F)(F)F)C(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000450701551 1034715111 /nfs/dbraw/zinc/71/51/11/1034715111.db2.gz OLHMJPPQMOVXDP-MRVPVSSYSA-N -1 0 349.403 3.914 20 0 EHADRM Cc1cc(=NC(=O)N2CCC[C@H]2c2ccccc2Cl)[n-]nc1C ZINC000605428317 1034723020 /nfs/dbraw/zinc/72/30/20/1034723020.db2.gz AZISHDJPWUCDAI-HNNXBMFYSA-N -1 0 330.819 3.538 20 0 EHADRM CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2O)cc1 ZINC000605613552 1034803208 /nfs/dbraw/zinc/80/32/08/1034803208.db2.gz QSZRBAPINBIMFB-UHFFFAOYSA-N -1 0 325.817 3.970 20 0 EHADRM CC(C)c1noc(=NCc2cccc(COCc3ccccc3)c2)[n-]1 ZINC000605691131 1034820856 /nfs/dbraw/zinc/82/08/56/1034820856.db2.gz KPYKNLNJYGCSGY-UHFFFAOYSA-N -1 0 337.423 3.944 20 0 EHADRM Cc1occc1-c1cc([N-]S(=O)(=O)c2cc3ccccc3o2)no1 ZINC000569878489 1034834347 /nfs/dbraw/zinc/83/43/47/1034834347.db2.gz GYZXKMJOIFZCOS-UHFFFAOYSA-N -1 0 344.348 3.790 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)Nc1cc(Cl)c(F)c(Cl)c1)C(=O)[O-] ZINC000601986650 1034849527 /nfs/dbraw/zinc/84/95/27/1034849527.db2.gz DTSKFCOZBBMMMG-WDSKDSINSA-N -1 0 340.203 3.666 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)[C@H](C)S[C@H](C)C(=O)[O-] ZINC000601987755 1034849649 /nfs/dbraw/zinc/84/96/49/1034849649.db2.gz SKHUEVNCMTUURV-VHSXEESVSA-N -1 0 345.848 3.662 20 0 EHADRM Cc1ccc(C2(C(=O)Nc3cccc(F)c3O)CCOCC2)cc1 ZINC000530007633 1034852864 /nfs/dbraw/zinc/85/28/64/1034852864.db2.gz ZEEBKHUUGGBZHO-UHFFFAOYSA-N -1 0 329.371 3.527 20 0 EHADRM CN(CCc1ccccc1)C(=O)c1c(O)cnc2ccc(Cl)cc21 ZINC000548927656 1034886238 /nfs/dbraw/zinc/88/62/38/1034886238.db2.gz KGFFOTMHZPDFPE-UHFFFAOYSA-N -1 0 340.810 3.909 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)NC[C@H](C)CC(F)(F)F)s1 ZINC000413744474 1034947581 /nfs/dbraw/zinc/94/75/81/1034947581.db2.gz HPCBWJGOPFXBGB-MRVPVSSYSA-N -1 0 338.399 3.574 20 0 EHADRM Cc1csc(S(=O)(=O)[N-]c2cc(F)c(OC(C)C)c(F)c2)c1 ZINC000451029302 1035048287 /nfs/dbraw/zinc/04/82/87/1035048287.db2.gz KIOFMVLFZMRDRG-UHFFFAOYSA-N -1 0 347.408 3.923 20 0 EHADRM CS[C@H](C)CC(=O)Nc1c(O)cc(Br)cc1Cl ZINC000584491237 1035093561 /nfs/dbraw/zinc/09/35/61/1035093561.db2.gz CHUGKMJSFGXTAR-ZCFIWIBFSA-N -1 0 338.654 3.888 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000431668230 1035169721 /nfs/dbraw/zinc/16/97/21/1035169721.db2.gz WHVUOEDQDBIMCW-GFCCVEGCSA-N -1 0 331.799 3.784 20 0 EHADRM C[S@@](=O)c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000612774471 1035214247 /nfs/dbraw/zinc/21/42/47/1035214247.db2.gz BLUQGSMSWWJGEW-OAQYLSRUSA-N -1 0 344.219 3.689 20 0 EHADRM Cc1ncoc1C(=O)Nc1nc(Sc2ccc(C)cc2)ns1 ZINC000431720005 1035360665 /nfs/dbraw/zinc/36/06/65/1035360665.db2.gz UJPJLEDBPQOGAH-UHFFFAOYSA-N -1 0 332.410 3.546 20 0 EHADRM CC(C)CC1(C)CCN(C(=O)c2nn(-c3ccccc3)cc2[O-])CC1 ZINC000685860440 1035456086 /nfs/dbraw/zinc/45/60/86/1035456086.db2.gz MGGWALLIORKNAD-UHFFFAOYSA-N -1 0 341.455 3.866 20 0 EHADRM Cc1ccc(OC2CCCC2)c(-c2ccc(=O)n(CCC(=O)[O-])c2)c1 ZINC000571463751 1035501429 /nfs/dbraw/zinc/50/14/29/1035501429.db2.gz IWQLJGVLIFPRKB-UHFFFAOYSA-N -1 0 341.407 3.620 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2nc(C)c(C)s2)cc1Cl ZINC000185609626 1035501658 /nfs/dbraw/zinc/50/16/58/1035501658.db2.gz YEQVEPGIXUCKDQ-UHFFFAOYSA-N -1 0 348.902 3.936 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cccn1C1CCCC1)C1CCCCC1 ZINC000431794221 1035511816 /nfs/dbraw/zinc/51/18/16/1035511816.db2.gz JPEYSWHDTPDSHB-INIZCTEOSA-N -1 0 332.444 3.757 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)cc(C)c1F ZINC000540696959 1035598717 /nfs/dbraw/zinc/59/87/17/1035598717.db2.gz VQJWMUJBBBOLGT-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM Cn1c2ccc([N-]S(=O)(=O)c3cccs3)cc2nc1C(C)(C)C ZINC000534792802 1035607884 /nfs/dbraw/zinc/60/78/84/1035607884.db2.gz KJXYWNOWZIDOJO-UHFFFAOYSA-N -1 0 349.481 3.733 20 0 EHADRM Cc1ccc(CCC(=O)N[C@@H](CC(=O)[O-])C2CCCCC2)c(C)c1 ZINC000540712170 1035615574 /nfs/dbraw/zinc/61/55/74/1035615574.db2.gz JGGQLNGRCZEKKI-SFHVURJKSA-N -1 0 331.456 3.776 20 0 EHADRM O=S(=O)(Cc1ccc(F)cc1)[N-]c1ncc(-c2ccccc2)s1 ZINC000192969113 1035615703 /nfs/dbraw/zinc/61/57/03/1035615703.db2.gz IBCSIYYXNBBAJK-UHFFFAOYSA-N -1 0 348.424 3.891 20 0 EHADRM CC(C)Oc1cccc(/C=C\C(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC000492327763 1035625212 /nfs/dbraw/zinc/62/52/12/1035625212.db2.gz GCQWBOCARSWXCP-VURMDHGXSA-N -1 0 345.439 3.590 20 0 EHADRM COCC[C@@H](Sc1n[n-]c(=NCC(C)C)s1)c1ccccc1 ZINC000534803503 1035635267 /nfs/dbraw/zinc/63/52/67/1035635267.db2.gz NFIPKUYOVQODJG-CQSZACIVSA-N -1 0 337.514 3.898 20 0 EHADRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1cccc2ccccc21 ZINC000588010694 1035681178 /nfs/dbraw/zinc/68/11/78/1035681178.db2.gz UXLDFRJLLOFFCD-LJQANCHMSA-N -1 0 343.386 3.817 20 0 EHADRM Fc1ccc(CN=c2[n-]nc(CC3CCCC3)o2)cc1C(F)(F)F ZINC000540793456 1035686332 /nfs/dbraw/zinc/68/63/32/1035686332.db2.gz WMIHCPLQDPNJMO-UHFFFAOYSA-N -1 0 343.324 3.994 20 0 EHADRM COc1cc(C)c(NC(=O)CC2(CC(=O)[O-])CCCCC2)cc1F ZINC000186830347 1035713877 /nfs/dbraw/zinc/71/38/77/1035713877.db2.gz FHEQHLYNLJEKLR-UHFFFAOYSA-N -1 0 337.391 3.897 20 0 EHADRM CCc1nnc(-c2cccc(NC(=O)c3cc(F)c([O-])c(F)c3)c2)o1 ZINC000186843387 1035729976 /nfs/dbraw/zinc/72/99/76/1035729976.db2.gz SMAJFKSYJWRKBS-UHFFFAOYSA-N -1 0 345.305 3.535 20 0 EHADRM CCCSCC(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000534940634 1035781935 /nfs/dbraw/zinc/78/19/35/1035781935.db2.gz PQKADJFKQWFNCW-UHFFFAOYSA-N -1 0 338.654 3.890 20 0 EHADRM CC(C)=C[C@H]1[C@H](C(=O)[N-]S(=O)(=O)c2cccc(C(C)=O)c2)C1(C)C ZINC000045087687 1035784789 /nfs/dbraw/zinc/78/47/89/1035784789.db2.gz NSHDFLRCDJXJDA-JKSUJKDBSA-N -1 0 349.452 3.773 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)NCCc1ccc(F)cc1)C1CCCCC1 ZINC000588176252 1035802272 /nfs/dbraw/zinc/80/22/72/1035802272.db2.gz OKTXIPNFLDIMCT-IBGZPJMESA-N -1 0 335.419 3.546 20 0 EHADRM CCc1cnc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)s1 ZINC000174021991 1035836555 /nfs/dbraw/zinc/83/65/55/1035836555.db2.gz LORFRJFUNSTCSM-UHFFFAOYSA-N -1 0 337.253 3.813 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccnn2[C@@H](C)CC(C)C)c1F ZINC000541004868 1035904017 /nfs/dbraw/zinc/90/40/17/1035904017.db2.gz GCXNXJPTWUFBEC-ZDUSSCGKSA-N -1 0 339.436 3.739 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)Nc3cccc(Cl)c3C)cc2=O)cc1 ZINC000174364521 1035910809 /nfs/dbraw/zinc/91/08/09/1035910809.db2.gz RCILUSSFFCTLSM-UHFFFAOYSA-N -1 0 341.798 3.688 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)Nc3ccc(C(C)C)cc3)cc2=O)cc1 ZINC000174372592 1035916878 /nfs/dbraw/zinc/91/68/78/1035916878.db2.gz XHMNIALPDFMQNS-UHFFFAOYSA-N -1 0 335.407 3.850 20 0 EHADRM CC[C@@H](CNC(=O)CC1(C(=O)[O-])CCCCCC1)CC(F)(F)F ZINC000402503870 1036029789 /nfs/dbraw/zinc/02/97/89/1036029789.db2.gz AARKEMLVDBTRGA-GFCCVEGCSA-N -1 0 337.382 3.897 20 0 EHADRM Cc1ccc(/C=C\CC(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1 ZINC000572404359 1036076846 /nfs/dbraw/zinc/07/68/46/1036076846.db2.gz IEHUDOPHOHLSAF-XSXCZSQGSA-N -1 0 349.430 3.725 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1cccc(CC(F)(F)F)c1 ZINC000174758367 1036079893 /nfs/dbraw/zinc/07/98/93/1036079893.db2.gz NMRIJYUCYLXUFB-UHFFFAOYSA-N -1 0 345.342 3.601 20 0 EHADRM O=C([O-])c1ccccc1CCN1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000572371010 1036090686 /nfs/dbraw/zinc/09/06/86/1036090686.db2.gz JLAUESIXKYCGPZ-GOSISDBHSA-N -1 0 345.826 3.654 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)c2cc3ccc(C)cc3[nH]2)s1 ZINC000491310906 1036115593 /nfs/dbraw/zinc/11/55/93/1036115593.db2.gz FZHGDPJKFKSVOK-UHFFFAOYSA-N -1 0 328.441 3.906 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cc3ccccc3o2)nn1[C@@H](C)C1CC1 ZINC000541305807 1036175520 /nfs/dbraw/zinc/17/55/20/1036175520.db2.gz TYHWWSKZTXLZAL-LBPRGKRZSA-N -1 0 345.424 3.710 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(C)c(C)c2)nn1[C@H](C)C1CC1 ZINC000541306308 1036178131 /nfs/dbraw/zinc/17/81/31/1036178131.db2.gz KUSCGYOJPHEAAG-CQSZACIVSA-N -1 0 333.457 3.580 20 0 EHADRM C[C@H](NC(=O)c1c([O-])cc(Cl)cc1Cl)c1cccc(O)c1 ZINC000175214623 1036258328 /nfs/dbraw/zinc/25/83/28/1036258328.db2.gz QMRCAXKWPJSZIT-QMMMGPOBSA-N -1 0 326.179 3.896 20 0 EHADRM C[C@@H](CC(F)(F)F)C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000457564704 1036261917 /nfs/dbraw/zinc/26/19/17/1036261917.db2.gz SZSRGYHUGIEMNJ-ZETCQYMHSA-N -1 0 349.765 3.807 20 0 EHADRM CC(C)Sc1ccc(C(=O)N=c2ncn(C3CCCCC3)[n-]2)cc1 ZINC000541443662 1036315014 /nfs/dbraw/zinc/31/50/14/1036315014.db2.gz JXJZAWBXBVUKRB-UHFFFAOYSA-N -1 0 344.484 3.958 20 0 EHADRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccnn1[C@H](C)CC(C)C ZINC000589269665 1036334468 /nfs/dbraw/zinc/33/44/68/1036334468.db2.gz GLDJBBCJVYCZBX-CYBMUJFWSA-N -1 0 339.436 3.739 20 0 EHADRM Cc1cc(CN=c2[n-]nco2)cc(C)c1OCc1ccccc1Cl ZINC000472569711 1036335956 /nfs/dbraw/zinc/33/59/56/1036335956.db2.gz LJPMVBMMMFDROS-UHFFFAOYSA-N -1 0 343.814 3.953 20 0 EHADRM COc1ccc(/C=C/C(=O)Nc2cc(Cl)c([O-])cc2F)cc1O ZINC000492841542 1036360043 /nfs/dbraw/zinc/36/00/43/1036360043.db2.gz PWAPSHSLXMEUBI-HWKANZROSA-N -1 0 337.734 3.551 20 0 EHADRM CC(C)[C@@H](NC(=O)N=c1ncn(C(C)(C)C)[n-]1)c1ccccc1Cl ZINC000541503619 1036384317 /nfs/dbraw/zinc/38/43/17/1036384317.db2.gz JFXWKDVTGRHHMF-CQSZACIVSA-N -1 0 349.866 3.627 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cccc3ccc(C)nc32)cc1 ZINC000589439279 1036415391 /nfs/dbraw/zinc/41/53/91/1036415391.db2.gz XGRUWTHPOKTICY-UHFFFAOYSA-N -1 0 326.421 3.906 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)/C=C\c1nc2ccccc2s1 ZINC000492985294 1036497082 /nfs/dbraw/zinc/49/70/82/1036497082.db2.gz AXHCBINGGACQJK-ASCRHOAZSA-N -1 0 344.436 3.555 20 0 EHADRM CC[C@]1(C)CCCN(C(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])C1 ZINC000669335299 1036542731 /nfs/dbraw/zinc/54/27/31/1036542731.db2.gz KNPLJVFOVBARHS-GOSISDBHSA-N -1 0 349.381 3.508 20 0 EHADRM COc1cc(/C=C\C(=O)Nc2cccc(CCC(=O)[O-])c2)ccc1F ZINC000493041493 1036563434 /nfs/dbraw/zinc/56/34/34/1036563434.db2.gz YWUFKHLHLWQTQA-TWGQIWQCSA-N -1 0 343.354 3.503 20 0 EHADRM CCc1nnc(-c2ccc(NC(=O)c3ccc(Cl)cc3[O-])cc2)o1 ZINC000175803339 1036574033 /nfs/dbraw/zinc/57/40/33/1036574033.db2.gz KYBCISWXLZCPRC-UHFFFAOYSA-N -1 0 343.770 3.910 20 0 EHADRM CCCc1nc(=NCc2c3ccccc3sc2C(=O)OC)s[n-]1 ZINC000589686403 1036592825 /nfs/dbraw/zinc/59/28/25/1036592825.db2.gz VRGRCTXZBVETJR-UHFFFAOYSA-N -1 0 347.465 3.526 20 0 EHADRM CC(C)c1ccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000013253629 1036601113 /nfs/dbraw/zinc/60/11/13/1036601113.db2.gz NIVPGNVCTAIRRC-UHFFFAOYSA-N -1 0 328.324 3.669 20 0 EHADRM CC1(C)[C@@H](c2ccccc2)CCN1C(=O)C1CCC(C(=O)[O-])CC1 ZINC000263184464 1036602678 /nfs/dbraw/zinc/60/26/78/1036602678.db2.gz KQAXTTPGIMOPEC-OFLPRAFFSA-N -1 0 329.440 3.672 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)C2(c3ccc(F)cc3)CC2)c1 ZINC000263209882 1036639958 /nfs/dbraw/zinc/63/99/58/1036639958.db2.gz LHZUAJNLOYDKIE-LBPRGKRZSA-N -1 0 327.355 3.684 20 0 EHADRM O=C([O-])C[C@H]1CCCN(c2ccnc3c(Br)cccc23)C1 ZINC000580051247 1036641294 /nfs/dbraw/zinc/64/12/94/1036641294.db2.gz WAQAXBTTWHFXRF-LLVKDONJSA-N -1 0 349.228 3.688 20 0 EHADRM CCS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](C)CCC(C)(C)C)c1 ZINC000541769085 1036641340 /nfs/dbraw/zinc/64/13/40/1036641340.db2.gz WYEUDVNIUHYFAY-LBPRGKRZSA-N -1 0 341.473 3.587 20 0 EHADRM CCc1ccc(/C=C2/CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)cc1 ZINC000213716966 1036697511 /nfs/dbraw/zinc/69/75/11/1036697511.db2.gz VIMTYZPLTFPIMY-PTNGSMBKSA-N -1 0 346.386 3.601 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C=Cc2ccnc(Cl)c2)c1 ZINC000493116503 1036723924 /nfs/dbraw/zinc/72/39/24/1036723924.db2.gz JROLEPFQFLAFGS-ZZXKWVIFSA-N -1 0 330.771 3.685 20 0 EHADRM CCN(C(=O)Nc1cc(C(F)(F)F)ccc1C)C(C)(C)C(=O)[O-] ZINC000321428702 1036739024 /nfs/dbraw/zinc/73/90/24/1036739024.db2.gz PBIXGMUPIWAKGS-UHFFFAOYSA-N -1 0 332.322 3.731 20 0 EHADRM Cc1cc(C(F)(F)F)ccc1/C=C/C(=O)NOCC(F)(F)F ZINC000493134175 1036740869 /nfs/dbraw/zinc/74/08/69/1036740869.db2.gz URBDZBJSACCTBD-HWKANZROSA-N -1 0 327.224 3.637 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3CCC(CC(=O)[O-])CC3)s2)o1 ZINC000263287697 1036753675 /nfs/dbraw/zinc/75/36/75/1036753675.db2.gz VDXYLEVZPQOLOZ-UHFFFAOYSA-N -1 0 333.409 3.643 20 0 EHADRM CC(C)C[C@H](NC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000263355696 1036805275 /nfs/dbraw/zinc/80/52/75/1036805275.db2.gz QTMUZURYPKFXLV-XIRDDKMYSA-N -1 0 332.444 3.526 20 0 EHADRM Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[N-]C(=O)C(F)(F)F ZINC000171561219 1036806604 /nfs/dbraw/zinc/80/66/04/1036806604.db2.gz FDOKQXRTAXFGOX-QMMMGPOBSA-N -1 0 332.322 3.997 20 0 EHADRM Cc1ccc(CCCC(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000237697279 1036884143 /nfs/dbraw/zinc/88/41/43/1036884143.db2.gz ZAKBYTKSJMLQKD-OAHLLOKOSA-N -1 0 331.437 3.711 20 0 EHADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1sccc1Cl ZINC000263419197 1036899541 /nfs/dbraw/zinc/89/95/41/1036899541.db2.gz KUBOCGXIPSCSKF-GFCCVEGCSA-N -1 0 337.828 3.607 20 0 EHADRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)c1sccc1Cl ZINC000263419199 1036900365 /nfs/dbraw/zinc/90/03/65/1036900365.db2.gz KUBOCGXIPSCSKF-LBPRGKRZSA-N -1 0 337.828 3.607 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)[C@@]3(C(=O)[O-])CC=CCC3)ccc2o1 ZINC000653281303 1036908223 /nfs/dbraw/zinc/90/82/23/1036908223.db2.gz BVNBMBKGPCAIQM-LJQANCHMSA-N -1 0 342.395 3.875 20 0 EHADRM C[C@H](C(=O)N1CCC[C@@](C)(C(=O)[O-])C1)c1c(Cl)cccc1Cl ZINC000666368259 1036928681 /nfs/dbraw/zinc/92/86/81/1036928681.db2.gz XJCJSJFHQAJDRO-MGPLVRAMSA-N -1 0 344.238 3.810 20 0 EHADRM O=c1nc(CC2CCC2)[n-]c2cc(-c3ccc4c(c3)OCO4)sc21 ZINC000504502977 1036941285 /nfs/dbraw/zinc/94/12/85/1036941285.db2.gz OBUIDKURRSDDKR-UHFFFAOYSA-N -1 0 340.404 3.723 20 0 EHADRM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3sc(C)nc3C)cc2)o1 ZINC000176436553 1036952427 /nfs/dbraw/zinc/95/24/27/1036952427.db2.gz JAVLYUOOJRBWNT-UHFFFAOYSA-N -1 0 349.437 3.524 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)CCc1cc3ccccc3o1)CC2 ZINC000539677055 1037056541 /nfs/dbraw/zinc/05/65/41/1037056541.db2.gz SOQLRENNUUZTPU-UHFFFAOYSA-N -1 0 349.386 3.649 20 0 EHADRM CC1(C)Cc2cc(CN=c3[n-]nc(CCc4ccccc4)o3)ccc2O1 ZINC000539694154 1037085789 /nfs/dbraw/zinc/08/57/89/1037085789.db2.gz WCBMUPKRZHMAMW-UHFFFAOYSA-N -1 0 349.434 3.602 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)n2)c(Cl)cc1F ZINC000163394245 1037104879 /nfs/dbraw/zinc/10/48/79/1037104879.db2.gz AYKDFUXFIURHNT-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM C=Cc1ccc(S(=O)(=O)[N-]c2cnn(C3CCCC3)c2C)cc1 ZINC000414376983 1037119488 /nfs/dbraw/zinc/11/94/88/1037119488.db2.gz BCNQBWGUOMOQKO-UHFFFAOYSA-N -1 0 331.441 3.750 20 0 EHADRM Cc1ccc(C)c(CN(C)C(=O)CCc2ccccc2C(=O)[O-])c1 ZINC000263571578 1037165643 /nfs/dbraw/zinc/16/56/43/1037165643.db2.gz JOYWLHGVPCOGST-UHFFFAOYSA-N -1 0 325.408 3.593 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2)nn1[C@@H](C)C1CC1 ZINC000542235917 1037186945 /nfs/dbraw/zinc/18/69/45/1037186945.db2.gz VDAHMWWWFZJUNW-NSHDSACASA-N -1 0 339.848 3.617 20 0 EHADRM O=C([O-])CCCCNC(=O)NC[C@H]1CCCC[C@H]1c1ccccc1 ZINC000666550770 1037215846 /nfs/dbraw/zinc/21/58/46/1037215846.db2.gz LDLCMLLMZZPFCA-SJORKVTESA-N -1 0 332.444 3.515 20 0 EHADRM CCC[C@]1(C(=O)[O-])CCCN1C(=O)C1CCC(C(F)(F)F)CC1 ZINC000324030125 1037273069 /nfs/dbraw/zinc/27/30/69/1037273069.db2.gz BICMBPAXFBNBGV-KOHJWAIASA-N -1 0 335.366 3.601 20 0 EHADRM CCC[C@H](C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000659118773 1037292334 /nfs/dbraw/zinc/29/23/34/1037292334.db2.gz AJQODRHLIPQKCD-JKSUJKDBSA-N -1 0 349.858 3.937 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000659121199 1037302679 /nfs/dbraw/zinc/30/26/79/1037302679.db2.gz XXDYKLCQDKRUAF-LLVKDONJSA-N -1 0 331.368 3.564 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)[C@@H]1CCCO1 ZINC000659129742 1037332667 /nfs/dbraw/zinc/33/26/67/1037332667.db2.gz ACGFJYSFSPTZAI-GWCFXTLKSA-N -1 0 333.409 3.743 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC000659138450 1037345285 /nfs/dbraw/zinc/34/52/85/1037345285.db2.gz ILVZGXNROVQMBO-IPMKNSEASA-N -1 0 337.419 3.739 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(-c2ccc(NC(=O)C(C)(C)C)nc2)c1 ZINC000519781701 1037351893 /nfs/dbraw/zinc/35/18/93/1037351893.db2.gz UMICLFNLIWPPIR-GFCCVEGCSA-N -1 0 326.396 3.921 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@H]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000659143120 1037363112 /nfs/dbraw/zinc/36/31/12/1037363112.db2.gz NJFMKAFSEXMSBX-HKUYNNGSSA-N -1 0 337.419 3.911 20 0 EHADRM Cc1nc([C@H](C)NC(=O)C2CCC(C3CC3)CC2)sc1C(=O)[O-] ZINC000659143352 1037366271 /nfs/dbraw/zinc/36/62/71/1037366271.db2.gz OHTWJRAELQSWFU-PKSQDBQZSA-N -1 0 336.457 3.543 20 0 EHADRM CC(C)C[C@H](C(=O)NC[C@H](C)CC(=O)[O-])c1ccc(Cl)cc1 ZINC000659144464 1037366777 /nfs/dbraw/zinc/36/67/77/1037366777.db2.gz HRQJQDRZGIWUBO-DOMZBBRYSA-N -1 0 325.836 3.697 20 0 EHADRM CCc1oc(C(=O)N(C)CCc2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000659166518 1037401468 /nfs/dbraw/zinc/40/14/68/1037401468.db2.gz RAPIVTBKCHZEMC-UHFFFAOYSA-N -1 0 335.787 3.508 20 0 EHADRM C[C@H](Cc1nc2ccccc2s1)NC(=O)c1c([O-])cc(F)cc1F ZINC000591448352 1037411779 /nfs/dbraw/zinc/41/17/79/1037411779.db2.gz OXAGUEQUADXWTR-SECBINFHSA-N -1 0 348.374 3.641 20 0 EHADRM Cc1ccc2c(c1)N(C(=O)c1cc(F)c([O-])c(Cl)c1)C[C@H](C)O2 ZINC000573287872 1037421318 /nfs/dbraw/zinc/42/13/18/1037421318.db2.gz WDSPLHXCFPXFAD-JTQLQIEISA-N -1 0 335.762 3.921 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)s1 ZINC000591481274 1037444943 /nfs/dbraw/zinc/44/49/43/1037444943.db2.gz PBVBUQGKNWWVIU-OAHLLOKOSA-N -1 0 348.447 3.715 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N[C@H](CCC)c2ccccn2)s1 ZINC000591479771 1037445018 /nfs/dbraw/zinc/44/50/18/1037445018.db2.gz QFCTVBMGGQOSNW-CQSZACIVSA-N -1 0 347.488 3.751 20 0 EHADRM Cc1cccc2cc(C(=O)N3CC[C@H](C(=O)[O-])[C@H]4CCCC[C@H]43)oc21 ZINC000659195322 1037453445 /nfs/dbraw/zinc/45/34/45/1037453445.db2.gz OXPPVXHEWGRYIE-OWCLPIDISA-N -1 0 341.407 3.847 20 0 EHADRM C[C@H](CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000659191346 1037460095 /nfs/dbraw/zinc/46/00/95/1037460095.db2.gz CIPZFZFLMZOKAP-UBDQQSCGSA-N -1 0 329.440 3.672 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)c(F)c1 ZINC000659223434 1037517952 /nfs/dbraw/zinc/51/79/52/1037517952.db2.gz JXPRYWVHIVWBOW-VXGBXAGGSA-N -1 0 347.308 3.509 20 0 EHADRM C[C@@H]1CN(C(=O)Cc2ccc(C3CCCCC3)cc2)CC[C@@H]1C(=O)[O-] ZINC000659225539 1037522493 /nfs/dbraw/zinc/52/24/93/1037522493.db2.gz MDGKRMZGMKMHMA-BEFAXECRSA-N -1 0 343.467 3.846 20 0 EHADRM Cc1ccc2cc(Cl)cc(C(=O)N[C@H]3CCC[C@]3(C)C(=O)[O-])c2n1 ZINC000659244012 1037573778 /nfs/dbraw/zinc/57/37/78/1037573778.db2.gz YLBPUUIOSKLNIB-KSSFIOAISA-N -1 0 346.814 3.570 20 0 EHADRM O=S(=O)([N-]c1c[nH]cn1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000573533734 1037577627 /nfs/dbraw/zinc/57/76/27/1037577627.db2.gz RMXJRRZOXYBVDV-UHFFFAOYSA-N -1 0 349.799 3.656 20 0 EHADRM O=S(=O)([N-]c1ccccc1)c1cccc(Cl)c1Br ZINC000491601774 1037580613 /nfs/dbraw/zinc/58/06/13/1037580613.db2.gz OFKQPIRVBDFEHZ-UHFFFAOYSA-N -1 0 346.633 3.903 20 0 EHADRM C[C@H](CC(=O)[O-])N(C)C(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1 ZINC000493723511 1037582180 /nfs/dbraw/zinc/58/21/80/1037582180.db2.gz VFLWOCGMZKWRHE-OTQAPUNGSA-N -1 0 349.736 3.694 20 0 EHADRM CCO[C@H]1C[C@H](N=c2[n-]nc(-c3ccccc3)s2)C12CCCC2 ZINC000463026033 1037656680 /nfs/dbraw/zinc/65/66/80/1037656680.db2.gz UVLMDAUGJCZBNZ-GJZGRUSLSA-N -1 0 329.469 3.777 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1cccc(N2CCC(C)CC2)c1 ZINC000653304079 1037676006 /nfs/dbraw/zinc/67/60/06/1037676006.db2.gz BQFFEFKXXKHBES-UHFFFAOYSA-N -1 0 332.444 3.752 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nc3c(ccc4c3CCCC4)s2)o1 ZINC000540211943 1037696545 /nfs/dbraw/zinc/69/65/45/1037696545.db2.gz ZDGPUPHVQFBMHJ-UHFFFAOYSA-N -1 0 348.449 3.877 20 0 EHADRM CCc1c([N-]S(=O)(=O)c2ccc(C)cc2C)cnn1CCC(C)C ZINC000491809801 1037699697 /nfs/dbraw/zinc/69/96/97/1037699697.db2.gz JFFLJKWSVQOGQE-UHFFFAOYSA-N -1 0 349.500 3.909 20 0 EHADRM COc1c(C)cc(C(=O)N=c2[n-]nc(-c3ccccc3)s2)cc1C ZINC000540208071 1037707730 /nfs/dbraw/zinc/70/77/30/1037707730.db2.gz LYUQADIPYCSVER-UHFFFAOYSA-N -1 0 339.420 3.505 20 0 EHADRM COc1cccc(O[C@@H](C)CN=c2[n-]nc(-c3ccccc3)s2)c1 ZINC000463076205 1037742193 /nfs/dbraw/zinc/74/21/93/1037742193.db2.gz IFPUUWSZSFJBQD-ZDUSSCGKSA-N -1 0 341.436 3.515 20 0 EHADRM C[C@@H](CN=c1[n-]nc(-c2ccccc2)s1)Oc1cccc(F)c1 ZINC000463077347 1037745105 /nfs/dbraw/zinc/74/51/05/1037745105.db2.gz IFLZMSBZIHAHGJ-LBPRGKRZSA-N -1 0 329.400 3.646 20 0 EHADRM FC(F)Oc1ccc(CN=c2nc(C3CCCCC3)[n-]s2)nc1 ZINC000573829734 1037762762 /nfs/dbraw/zinc/76/27/62/1037762762.db2.gz WRLQGWAKFWNWSD-UHFFFAOYSA-N -1 0 340.399 3.616 20 0 EHADRM Cc1ccsc1-c1n[n-]c(=NC(C)(C)C)n1C[C@H]1CCCCO1 ZINC000463109266 1037764557 /nfs/dbraw/zinc/76/45/57/1037764557.db2.gz QHGMVOPDMRBYFR-CYBMUJFWSA-N -1 0 334.489 3.516 20 0 EHADRM CCc1ccc(C(=O)[C@@H](C)Sc2n[n-]c(=NCC(C)C)s2)cc1 ZINC000592088961 1037831391 /nfs/dbraw/zinc/83/13/91/1037831391.db2.gz GEMHMHDVCMCOGU-GFCCVEGCSA-N -1 0 349.525 3.954 20 0 EHADRM Cc1ccc(CCCC(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)s1 ZINC000669434603 1037851448 /nfs/dbraw/zinc/85/14/48/1037851448.db2.gz HMGNJSYCXIEKIC-INIZCTEOSA-N -1 0 343.448 3.984 20 0 EHADRM CCO[C@H]1C[C@H](NC(=O)c2cc3ccccc3cc2O)C12CCC2 ZINC000303912020 1037852942 /nfs/dbraw/zinc/85/29/42/1037852942.db2.gz MRUKKXHTMIASLR-ROUUACIJSA-N -1 0 325.408 3.623 20 0 EHADRM Cc1cc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)c(C)n1C(C)C ZINC000669436638 1037862299 /nfs/dbraw/zinc/86/22/99/1037862299.db2.gz XWWVJHOFUZORBG-MRXNPFEDSA-N -1 0 340.423 3.905 20 0 EHADRM CC(C)CC1(CNC(=O)CSc2n[n-]c(=S)s2)CCCC1 ZINC000152959181 1037911196 /nfs/dbraw/zinc/91/11/96/1037911196.db2.gz DWMMZLCNCCGRTR-UHFFFAOYSA-N -1 0 345.559 3.642 20 0 EHADRM O=C(c1c([O-])cc(F)cc1F)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000592314654 1037916752 /nfs/dbraw/zinc/91/67/52/1037916752.db2.gz LVAMNHUGUPNAKV-AWEZNQCLSA-N -1 0 331.362 3.765 20 0 EHADRM O=C([O-])CCOc1cccc(/C=C/C(=O)c2ccc(F)c(F)c2)c1 ZINC000058464686 1037939521 /nfs/dbraw/zinc/93/95/21/1037939521.db2.gz TTXSINYKCHJRHB-QPJJXVBHSA-N -1 0 332.302 3.714 20 0 EHADRM Cc1cccc(-c2noc(C(=O)[N-]c3c(F)cccc3F)n2)c1F ZINC001212171624 1038052086 /nfs/dbraw/zinc/05/20/86/1038052086.db2.gz XNOAOUJYFXUZJZ-UHFFFAOYSA-N -1 0 333.269 3.715 20 0 EHADRM Cc1oc(CN(C)C(=O)/C=C/c2cccc(Cl)c2)cc1C(=O)[O-] ZINC000492159025 1038059953 /nfs/dbraw/zinc/05/99/53/1038059953.db2.gz YBOGVUHIIIXHHG-VOTSOKGWSA-N -1 0 333.771 3.611 20 0 EHADRM Cc1ccccc1[C@@H](CC(C)C)NC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000646149467 1038123461 /nfs/dbraw/zinc/12/34/61/1038123461.db2.gz XJGOXBGLGCQLIV-ZMSDIMECSA-N -1 0 332.444 3.635 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cccc(F)c1Cl)C1CCCCC1 ZINC000538506009 1038346457 /nfs/dbraw/zinc/34/64/57/1038346457.db2.gz YZSGWCKHDKHJRN-CYBMUJFWSA-N -1 0 327.783 3.633 20 0 EHADRM CN(C(=O)c1cc(F)cc(Br)c1[O-])[C@H]1CCC(C)(C)C1 ZINC000416229085 1038382570 /nfs/dbraw/zinc/38/25/70/1038382570.db2.gz UBKZGXHJLCFJIT-JTQLQIEISA-N -1 0 344.224 3.945 20 0 EHADRM O=C([O-])CC1(CNC(=O)Cc2csc3ccccc23)CCCCC1 ZINC000538576859 1038399745 /nfs/dbraw/zinc/39/97/45/1038399745.db2.gz DXXWXFXASIBJRY-UHFFFAOYSA-N -1 0 345.464 3.985 20 0 EHADRM CCCCc1n[n-]c(=NCc2ccc(Br)s2)s1 ZINC000538608467 1038432984 /nfs/dbraw/zinc/43/29/84/1038432984.db2.gz PUHSCDFOVWBGCG-UHFFFAOYSA-N -1 0 332.292 3.739 20 0 EHADRM C[C@]1(c2ccccc2)CCN(C(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000363807343 1038498320 /nfs/dbraw/zinc/49/83/20/1038498320.db2.gz VCYILBGQHUCSJL-SFHVURJKSA-N -1 0 335.325 3.613 20 0 EHADRM CCCc1nc(=NCc2cccc(NC(=O)[C@H](C)CC)c2)s[n-]1 ZINC000461779405 1038615553 /nfs/dbraw/zinc/61/55/53/1038615553.db2.gz UXYARWJCZJJISE-GFCCVEGCSA-N -1 0 332.473 3.509 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cc(C)cc(F)c2)[nH]nc1-c1ccccc1 ZINC000539105725 1038689037 /nfs/dbraw/zinc/68/90/37/1038689037.db2.gz JKGQMNNVBWDFDE-UHFFFAOYSA-N -1 0 345.399 3.633 20 0 EHADRM O=C([O-])C1(CC(=O)N(Cc2ccco2)CC(F)(F)F)CCCCC1 ZINC000391850925 1038721439 /nfs/dbraw/zinc/72/14/39/1038721439.db2.gz QUPRNUFVQHOOKV-UHFFFAOYSA-N -1 0 347.333 3.596 20 0 EHADRM O=C(COc1ccc(F)cc1Cl)Nc1cc(Cl)c([O-])cc1F ZINC000554005648 1038780583 /nfs/dbraw/zinc/78/05/83/1038780583.db2.gz KPYKAZMMRZRSFU-UHFFFAOYSA-N -1 0 348.132 3.995 20 0 EHADRM CC(C)OCc1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1 ZINC000910245098 1038784465 /nfs/dbraw/zinc/78/44/65/1038784465.db2.gz KZZJUXWUAHKJGI-UHFFFAOYSA-N -1 0 345.439 3.975 20 0 EHADRM CC[C@H]1C[C@H](C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CCO1 ZINC000910247967 1038786332 /nfs/dbraw/zinc/78/63/32/1038786332.db2.gz QFNKCDCZPXPJJC-OLZOCXBDSA-N -1 0 327.380 3.682 20 0 EHADRM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000910302165 1038816953 /nfs/dbraw/zinc/81/69/53/1038816953.db2.gz DLJBZYBNQHFKTJ-ARFHVFGLSA-N -1 0 347.459 3.520 20 0 EHADRM O=C([O-])c1ccc(C(F)(F)F)nc1N1CCC[C@@]2(CCSC2)C1 ZINC000910308554 1038821323 /nfs/dbraw/zinc/82/13/23/1038821323.db2.gz LUSKVWYRODPEQM-CQSZACIVSA-N -1 0 346.374 3.522 20 0 EHADRM Cc1nc(C2CCN(C(=O)[C@@]3(C)CC=CCC3)CC2)sc1C(=O)[O-] ZINC000910356518 1038850966 /nfs/dbraw/zinc/85/09/66/1038850966.db2.gz IAGYJUWEAVCJLW-SFHVURJKSA-N -1 0 348.468 3.602 20 0 EHADRM Cc1nc(N2CCCC[C@@H]2c2cc3ccccc3[nH]2)ncc1C(=O)[O-] ZINC000910358860 1038851454 /nfs/dbraw/zinc/85/14/54/1038851454.db2.gz WUFKCKFEAIHCNY-QGZVFWFLSA-N -1 0 336.395 3.696 20 0 EHADRM O=C([O-])CCC(=O)N[C@H](CCCc1ccccc1)c1ccccc1 ZINC000554069650 1038852910 /nfs/dbraw/zinc/85/29/10/1038852910.db2.gz AWEPPABGSMQOKD-GOSISDBHSA-N -1 0 325.408 3.732 20 0 EHADRM Cc1ccc([C@@H](NCc2noc3c2CC(C)(C)CC3)C(=O)[O-])cc1C ZINC000905379502 1038856867 /nfs/dbraw/zinc/85/68/67/1038856867.db2.gz FDJHQKFFLNJVJH-GOSISDBHSA-N -1 0 342.439 3.722 20 0 EHADRM CSc1ccncc1[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000674714817 1038866041 /nfs/dbraw/zinc/86/60/41/1038866041.db2.gz DBEZHYVHMIUVGZ-UHFFFAOYSA-N -1 0 330.434 3.758 20 0 EHADRM CSc1cc(C(=O)N[C@H](CC(=O)[O-])c2cccc(C)c2)c(C)o1 ZINC000910371362 1038870564 /nfs/dbraw/zinc/87/05/64/1038870564.db2.gz WJPBYOPNEKWSJN-CQSZACIVSA-N -1 0 333.409 3.564 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)Nc1ccc(C2CC2)cc1F ZINC000910353393 1038875656 /nfs/dbraw/zinc/87/56/56/1038875656.db2.gz CYLWHRKINFJCRB-UHFFFAOYSA-N -1 0 327.355 3.973 20 0 EHADRM Cc1ccc2[nH]c([C@H]3CCCN3c3ccc(C(=O)[O-])c(C)n3)nc2c1 ZINC000910354905 1038878340 /nfs/dbraw/zinc/87/83/40/1038878340.db2.gz IPRIZNYDQHFKDG-MRXNPFEDSA-N -1 0 336.395 3.614 20 0 EHADRM C[C@H](CC(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1)C(C)(C)C ZINC000485300242 1038897019 /nfs/dbraw/zinc/89/70/19/1038897019.db2.gz DSKDEIOTNDTEFR-GFCCVEGCSA-N -1 0 341.398 3.840 20 0 EHADRM C[C@H]1CCC[C@H](C)N(C(=O)N=c2[n-]nc(-c3ccccc3)s2)C1 ZINC000479944626 1038922084 /nfs/dbraw/zinc/92/20/84/1038922084.db2.gz BTMKZGMSPOBFJN-STQMWFEESA-N -1 0 330.457 3.669 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000910540369 1038959328 /nfs/dbraw/zinc/95/93/28/1038959328.db2.gz YQVCDDPRIBESCQ-ABHNRTSZSA-N -1 0 331.456 3.651 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(C(C)C)cn1 ZINC000910624976 1038994964 /nfs/dbraw/zinc/99/49/64/1038994964.db2.gz ZIXBBIIYWMWVPE-UHFFFAOYSA-N -1 0 328.368 3.554 20 0 EHADRM Cc1cc(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)nn1C1CCCCC1 ZINC000910659786 1039008503 /nfs/dbraw/zinc/00/85/03/1039008503.db2.gz AKOZIBIVTVJPGD-NTMALXAHSA-N -1 0 343.383 3.640 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)Nc2ncc(CC(=O)[O-])s2)c1 ZINC000910669396 1039010760 /nfs/dbraw/zinc/01/07/60/1039010760.db2.gz CXCRDNWNVOETJK-LBPRGKRZSA-N -1 0 346.452 3.711 20 0 EHADRM CC[C@@H](CC(=O)Nc1ncc(CC(=O)[O-])s1)c1ccc(C)cc1 ZINC000910672419 1039012375 /nfs/dbraw/zinc/01/23/75/1039012375.db2.gz ANWQLFJJJKLMBI-LBPRGKRZSA-N -1 0 332.425 3.601 20 0 EHADRM CC(C)c1sc(NC(=O)c2coc(C(F)F)c2)nc1C(=O)[O-] ZINC000910705835 1039028801 /nfs/dbraw/zinc/02/88/01/1039028801.db2.gz LTMLRQRTCDAJMV-UHFFFAOYSA-N -1 0 330.312 3.748 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)[C@@H]2CCC[C@@H](C)C2)nc1C(=O)[O-] ZINC000910727751 1039035313 /nfs/dbraw/zinc/03/53/13/1039035313.db2.gz AKAHYLYXTFTZLK-RTXFEEFZSA-N -1 0 336.457 3.640 20 0 EHADRM O=C([O-])c1nc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)sc1C1CC1 ZINC000910736111 1039044329 /nfs/dbraw/zinc/04/43/29/1039044329.db2.gz MGHCSHUDEQXYJH-NEPJUHHUSA-N -1 0 346.383 3.600 20 0 EHADRM O=C([O-])c1nc(NC(=O)c2cc3c(s2)CCC3)sc1C1CC1 ZINC000910738263 1039046055 /nfs/dbraw/zinc/04/60/55/1039046055.db2.gz ZBRCJTJPKCUZRO-UHFFFAOYSA-N -1 0 334.422 3.521 20 0 EHADRM O=C([O-])COc1cccc(NCc2ccccc2N2CCCCC2)c1 ZINC000905713014 1039046553 /nfs/dbraw/zinc/04/65/53/1039046553.db2.gz CBEQOMQWXLDHGW-UHFFFAOYSA-N -1 0 340.423 3.752 20 0 EHADRM CCCc1ccc(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)s1 ZINC000910740420 1039049103 /nfs/dbraw/zinc/04/91/03/1039049103.db2.gz YMXDPJPZDABIKC-UHFFFAOYSA-N -1 0 336.438 3.985 20 0 EHADRM CC[C@H](C)Oc1cc(C)ccc1CNCc1ccc(C(=O)[O-])cn1 ZINC000905726301 1039063598 /nfs/dbraw/zinc/06/35/98/1039063598.db2.gz OPKAATCNOPOLPQ-AWEZNQCLSA-N -1 0 328.412 3.555 20 0 EHADRM C[C@@H]1CC(C)(C)c2cccc(NC(=O)CC3(C(=O)[O-])CCOCC3)c21 ZINC000910955666 1039157591 /nfs/dbraw/zinc/15/75/91/1039157591.db2.gz SHCXXUYAKODMTD-CYBMUJFWSA-N -1 0 345.439 3.681 20 0 EHADRM O=C([O-])c1ccc2[nH]cc(C3CCN(C(=O)C4CCCC4)CC3)c2c1 ZINC000910957321 1039158046 /nfs/dbraw/zinc/15/80/46/1039158046.db2.gz RHABJJSHGNWWRU-UHFFFAOYSA-N -1 0 340.423 3.762 20 0 EHADRM O=C([O-])[C@H]1CCCC[C@H]1C(=O)N(Cc1ccco1)Cc1cccs1 ZINC000324157370 1039163270 /nfs/dbraw/zinc/16/32/70/1039163270.db2.gz ATKWCNDBKYBYFK-CVEARBPZSA-N -1 0 347.436 3.761 20 0 EHADRM CCN(C(=O)c1cc(C)n([C@H](C)C2CC2)n1)c1cccc(C(=O)[O-])c1 ZINC000910968100 1039171345 /nfs/dbraw/zinc/17/13/45/1039171345.db2.gz RHICNGQJWXTITB-CYBMUJFWSA-N -1 0 341.411 3.527 20 0 EHADRM CCSc1ccccc1CCNC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000910990807 1039181759 /nfs/dbraw/zinc/18/17/59/1039181759.db2.gz MEYFMQYIMSTTMQ-UHFFFAOYSA-N -1 0 349.496 3.738 20 0 EHADRM Cc1cccc([C@H]([N-]S(=O)(=O)c2ccccc2C)C(F)(F)F)c1 ZINC000512448230 1039181770 /nfs/dbraw/zinc/18/17/70/1039181770.db2.gz QUCZAIUHGSHDGB-HNNXBMFYSA-N -1 0 343.370 3.885 20 0 EHADRM Cc1cc(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)CC2)ccc1Cl ZINC000911020697 1039187699 /nfs/dbraw/zinc/18/76/99/1039187699.db2.gz SXLNOWVZNXTWNK-UHFFFAOYSA-N -1 0 349.736 3.518 20 0 EHADRM Cc1nc(C(=O)Nc2cccc(COC(C)(C)C)c2)ccc1C(=O)[O-] ZINC000911082371 1039214297 /nfs/dbraw/zinc/21/42/97/1039214297.db2.gz KLMISIIJEDYFDM-UHFFFAOYSA-N -1 0 342.395 3.656 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)c2ccc(/C=C\C(=O)[O-])o2)c1 ZINC000911083600 1039218169 /nfs/dbraw/zinc/21/81/69/1039218169.db2.gz VTNLCLHMZQBAHR-NTMALXAHSA-N -1 0 343.379 3.945 20 0 EHADRM Brc1ccc(CN=c2[n-]nc(CC3CCCC3)o2)s1 ZINC000554327927 1039224117 /nfs/dbraw/zinc/22/41/17/1039224117.db2.gz NYAIQTFBOYSEEG-UHFFFAOYSA-N -1 0 342.262 3.660 20 0 EHADRM Cc1cc(NC(=O)CCc2ncc(C(C)(C)C)o2)cc(C(=O)[O-])c1 ZINC000911072093 1039225411 /nfs/dbraw/zinc/22/54/11/1039225411.db2.gz GKXBUYFENQWCNE-UHFFFAOYSA-N -1 0 330.384 3.550 20 0 EHADRM CCNc1ccc(C(=O)[O-])cc1NC(=O)CC1CC(OC(C)(C)C)C1 ZINC000911085659 1039240190 /nfs/dbraw/zinc/24/01/90/1039240190.db2.gz XOMNHCLXXZUSCL-UHFFFAOYSA-N -1 0 348.443 3.739 20 0 EHADRM CCNc1ccc(C(=O)[O-])cc1NC(=O)c1cnc(C(C)C)s1 ZINC000911085256 1039241002 /nfs/dbraw/zinc/24/10/02/1039241002.db2.gz PEUJQMQKPLLFNN-UHFFFAOYSA-N -1 0 333.413 3.649 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1ccnn1[C@H](C)CC(C)C ZINC000488601977 1039304238 /nfs/dbraw/zinc/30/42/38/1039304238.db2.gz ZLTQILQUCTYLJM-CQSZACIVSA-N -1 0 335.473 3.853 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)C(C)(C)CCC(=O)[O-])c2)[nH]c1C ZINC000911262855 1039312634 /nfs/dbraw/zinc/31/26/34/1039312634.db2.gz FCIIQFYFCPECBU-UHFFFAOYSA-N -1 0 329.400 3.523 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)CCO1 ZINC000911387654 1039340378 /nfs/dbraw/zinc/34/03/78/1039340378.db2.gz RGMZVODKJIURFH-SJCJKPOMSA-N -1 0 344.411 3.646 20 0 EHADRM O=C([O-])C1CCC(CC(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000911390755 1039342460 /nfs/dbraw/zinc/34/24/60/1039342460.db2.gz SLRFSCFOTAJYRV-FKZOYECMSA-N -1 0 349.393 3.752 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000237391263 1039355404 /nfs/dbraw/zinc/35/54/04/1039355404.db2.gz NZQSOGRRLBCNSX-GHMZBOCLSA-N -1 0 331.334 3.569 20 0 EHADRM CN(C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1)[C@@H]1CC1(C)C ZINC000488765176 1039386250 /nfs/dbraw/zinc/38/62/50/1039386250.db2.gz HNSLYORRBKXTCZ-LLVKDONJSA-N -1 0 336.848 3.543 20 0 EHADRM O=C(N[C@@H]1CCCN(c2ccccc2F)C1)c1ccc([O-])c(Cl)c1 ZINC000155932889 1039390084 /nfs/dbraw/zinc/39/00/84/1039390084.db2.gz DEYDAVWWLFJLRK-CYBMUJFWSA-N -1 0 348.805 3.584 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)C(=O)[O-] ZINC000237584008 1039390395 /nfs/dbraw/zinc/39/03/95/1039390395.db2.gz FLLAYEGOIGRSRU-UKTARXLSSA-N -1 0 335.469 3.806 20 0 EHADRM CN(C(=O)N=c1nc(-c2ccccc2Cl)[n-]s1)[C@@H]1CC1(C)C ZINC000488786082 1039402902 /nfs/dbraw/zinc/40/29/02/1039402902.db2.gz PVQOWUXMCMSZNF-LLVKDONJSA-N -1 0 336.848 3.543 20 0 EHADRM Cc1cc(/C=C/C(=O)N[C@H](C)CC(=O)[O-])c(C)n1C1CCCCC1 ZINC000237632302 1039403052 /nfs/dbraw/zinc/40/30/52/1039403052.db2.gz QMOFHWJASSOAED-WTNCMQEWSA-N -1 0 332.444 3.603 20 0 EHADRM C[C@H](Nc1ccccc1NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000911557069 1039410921 /nfs/dbraw/zinc/41/09/21/1039410921.db2.gz DDTZIYTVVNTJDT-IMJJTQAJSA-N -1 0 338.407 3.909 20 0 EHADRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccncc1)C1CCC(C)CC1 ZINC000911665191 1039446951 /nfs/dbraw/zinc/44/69/51/1039446951.db2.gz ZLHXEQUYHUAVCJ-MMADZMRASA-N -1 0 332.444 3.566 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2F)cc1OC(C)C ZINC000447264663 1039466219 /nfs/dbraw/zinc/46/62/19/1039466219.db2.gz CJAXQHOQOTVEQY-UHFFFAOYSA-N -1 0 341.379 3.861 20 0 EHADRM COCc1sccc1C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC000911734525 1039477341 /nfs/dbraw/zinc/47/73/41/1039477341.db2.gz UNIFYUVJCLDGIK-UHFFFAOYSA-N -1 0 349.408 3.632 20 0 EHADRM CC(C)Oc1c(NC(=O)[C@H](C)c2cccs2)cccc1C(=O)[O-] ZINC000911739575 1039481109 /nfs/dbraw/zinc/48/11/09/1039481109.db2.gz UTHNWTKFSJBYPN-LLVKDONJSA-N -1 0 333.409 3.976 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000238099755 1039491941 /nfs/dbraw/zinc/49/19/41/1039491941.db2.gz RHPADWIVVGJZNJ-UONOGXRCSA-N -1 0 339.382 3.610 20 0 EHADRM FC(F)(F)c1n[n-]c(=NC[C@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000480396137 1039503436 /nfs/dbraw/zinc/50/34/36/1039503436.db2.gz OVCFSACUAWQXRR-BQBZGAKWSA-N -1 0 333.301 3.759 20 0 EHADRM COc1cc(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)c(C)cc1C ZINC000478569165 1039531435 /nfs/dbraw/zinc/53/14/35/1039531435.db2.gz OAOQUROVBJQMKS-UHFFFAOYSA-N -1 0 349.390 3.518 20 0 EHADRM FC(F)(F)c1n[n-]c(=N[C@H]2CCC[C@@H]2OCc2ccccc2)s1 ZINC000480445654 1039562924 /nfs/dbraw/zinc/56/29/24/1039562924.db2.gz NYBOADDUPPGUPZ-RYUDHWBXSA-N -1 0 343.374 3.529 20 0 EHADRM FC(F)(F)c1n[n-]c(=N[C@@H]2CCC[C@H]2OCc2ccccc2)s1 ZINC000480445655 1039563566 /nfs/dbraw/zinc/56/35/66/1039563566.db2.gz NYBOADDUPPGUPZ-VXGBXAGGSA-N -1 0 343.374 3.529 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CC(C4CCC4)C3)n2)cc1 ZINC000552887291 1039593274 /nfs/dbraw/zinc/59/32/74/1039593274.db2.gz SBQPQKXJVSLYHR-UHFFFAOYSA-N -1 0 339.439 3.573 20 0 EHADRM CC[C@H](C)c1ncc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cn1 ZINC000478676168 1039615253 /nfs/dbraw/zinc/61/52/53/1039615253.db2.gz JPBYTSOAXACMIW-ZDUSSCGKSA-N -1 0 333.457 3.914 20 0 EHADRM C[C@]1(Cc2ccccc2)CCCN1C(=O)NCc1ccc(O)c(F)c1 ZINC000467936698 1039640994 /nfs/dbraw/zinc/64/09/94/1039640994.db2.gz CARVBBFSFUTXOO-HXUWFJFHSA-N -1 0 342.414 3.838 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2noc3cc(Cl)ccc32)c1 ZINC000554735641 1039650795 /nfs/dbraw/zinc/65/07/95/1039650795.db2.gz XOQLOHACEBBCMP-UHFFFAOYSA-N -1 0 336.800 3.899 20 0 EHADRM Cc1nc([N-]S(=O)(=O)c2ccccc2F)c(Cl)cc1Cl ZINC000040691445 1039657061 /nfs/dbraw/zinc/65/70/61/1039657061.db2.gz SIKTWECKGKIALD-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CC1(C)[C@H](NC(=O)c2c([O-])cc(Cl)cc2Cl)[C@H]2CCCO[C@H]21 ZINC000408410093 1039673074 /nfs/dbraw/zinc/67/30/74/1039673074.db2.gz JJAJZZYSOSNWRZ-OWYVNGRQSA-N -1 0 344.238 3.632 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000912104218 1039688577 /nfs/dbraw/zinc/68/85/77/1039688577.db2.gz XPUVWVRPBKVBIS-WMZOPIPTSA-N -1 0 345.826 3.774 20 0 EHADRM CC(C)=CCC[C@H](C)CC(=O)[N-]S(=O)(=O)CCCC(C)(F)F ZINC000893801677 1039712702 /nfs/dbraw/zinc/71/27/02/1039712702.db2.gz OIRUYLGFYCUDDP-ZDUSSCGKSA-N -1 0 339.448 3.640 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@H]3CCC[C@@H]3C(=O)[O-])c2)cs1 ZINC000321638310 1039722032 /nfs/dbraw/zinc/72/20/32/1039722032.db2.gz JPJKIGVAZLBYOK-KBPBESRZSA-N -1 0 330.409 3.558 20 0 EHADRM Cc1cc(NC(=O)Cc2cccc(OC(C)C)c2)cc(C(=O)[O-])c1C ZINC000485960893 1039725082 /nfs/dbraw/zinc/72/50/82/1039725082.db2.gz VMZIAQFLOSNLOU-UHFFFAOYSA-N -1 0 341.407 3.970 20 0 EHADRM Cc1ccc(-c2cccc(CO[C@@H]3CCOC3)c2)cc1CC(=O)[O-] ZINC000570411246 1039796251 /nfs/dbraw/zinc/79/62/51/1039796251.db2.gz MIZYOYIIPDQACQ-LJQANCHMSA-N -1 0 326.392 3.595 20 0 EHADRM CN(C(=O)N=c1nc(-c2ccccc2)[n-]s1)[C@@H]1CCC(C)(C)C1 ZINC000478910139 1039802267 /nfs/dbraw/zinc/80/22/67/1039802267.db2.gz QZNQJXAUWKOEPN-CYBMUJFWSA-N -1 0 330.457 3.669 20 0 EHADRM O=S(=O)([N-]c1ccccn1)c1c(Cl)cc(Cl)cc1Cl ZINC000110121115 1039832032 /nfs/dbraw/zinc/83/20/32/1039832032.db2.gz UFMQMOSBQRKKMK-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM C[C@H](CCc1ccc(O)cc1)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000156047278 1039898345 /nfs/dbraw/zinc/89/83/45/1039898345.db2.gz MDVRZVBUJXDESB-LLVKDONJSA-N -1 0 342.420 3.573 20 0 EHADRM CCCOc1ccc(CN=c2nc(C(C)(C)C)[n-]s2)cc1OC ZINC000489379017 1039914091 /nfs/dbraw/zinc/91/40/91/1039914091.db2.gz LVCFLOHROOJXQX-UHFFFAOYSA-N -1 0 335.473 3.667 20 0 EHADRM O=c1cc(/C=C\c2ccc(-c3ccc(Cl)cc3)cc2)nc2nc[nH]n21 ZINC000486142692 1039918278 /nfs/dbraw/zinc/91/82/78/1039918278.db2.gz BSCVPBGQIAHZMJ-KMKOMSMNSA-N -1 0 348.793 3.908 20 0 EHADRM Cc1c2cc(C)ccc2sc1C(=O)N=c1[n-]nc2cc(C)ccn21 ZINC000486174077 1039939102 /nfs/dbraw/zinc/93/91/02/1039939102.db2.gz KFUJQROUCWCBJA-UHFFFAOYSA-N -1 0 336.420 3.543 20 0 EHADRM CSc1ccc(NC(=O)N(CC(=O)[O-])C2CCCC2)cc1Cl ZINC000584817391 1039961099 /nfs/dbraw/zinc/96/10/99/1039961099.db2.gz NPHXOOVJNNLXAF-UHFFFAOYSA-N -1 0 342.848 3.923 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NCc1ccc2c(c1)OCCO2 ZINC000417570477 1040005940 /nfs/dbraw/zinc/00/59/40/1040005940.db2.gz RYHOPCVQXFPVRP-UHFFFAOYSA-N -1 0 343.379 3.555 20 0 EHADRM CC(C)c1ccc([C@H](CC(=O)[O-])NCc2ccn(C(F)F)n2)cc1 ZINC000417578256 1040024143 /nfs/dbraw/zinc/02/41/43/1040024143.db2.gz YACWSLYLCYAHGW-HNNXBMFYSA-N -1 0 337.370 3.707 20 0 EHADRM Cc1ccc2[nH]c(C[NH2+][C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)cc2c1C ZINC000417579879 1040024435 /nfs/dbraw/zinc/02/44/35/1040024435.db2.gz BWRNBAMGVUCNTJ-DYVFJYSZSA-N -1 0 332.444 3.531 20 0 EHADRM C[C@@H](OC(C)(C)C)[C@H](NCc1ncc(-c2ccccc2)s1)C(=O)[O-] ZINC000417579268 1040027601 /nfs/dbraw/zinc/02/76/01/1040027601.db2.gz ADYOQZSVUWFMIT-WBMJQRKESA-N -1 0 348.468 3.557 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NCc2cnc(-c3ccco3)s2)o1 ZINC000417576914 1040038631 /nfs/dbraw/zinc/03/86/31/1040038631.db2.gz VRCCXBFJCIQNFP-GFCCVEGCSA-N -1 0 332.381 3.610 20 0 EHADRM Cc1cc(OCc2ccccc2)ccc1NC(=O)c1ncccc1[O-] ZINC000709250021 1040041715 /nfs/dbraw/zinc/04/17/15/1040041715.db2.gz AOWBBMXPGFPIAC-UHFFFAOYSA-N -1 0 334.375 3.927 20 0 EHADRM COc1ccc(CNc2ccc(CCCC(=O)[O-])cc2)cc1OC ZINC000417586129 1040042287 /nfs/dbraw/zinc/04/22/87/1040042287.db2.gz QDLJIHPPTICSAR-UHFFFAOYSA-N -1 0 329.396 3.723 20 0 EHADRM CCc1ccc([C@H](NCc2ncc(C(F)(F)F)s2)C(=O)[O-])cc1 ZINC000417592709 1040045043 /nfs/dbraw/zinc/04/50/43/1040045043.db2.gz YXWOMZIYPDBENA-ZDUSSCGKSA-N -1 0 344.358 3.640 20 0 EHADRM COc1cccc(CNc2ccc([C@H](C)CC(=O)[O-])cc2)c1OC ZINC000417608242 1040062392 /nfs/dbraw/zinc/06/23/92/1040062392.db2.gz IOCRFVAXJSEWLP-CYBMUJFWSA-N -1 0 329.396 3.894 20 0 EHADRM COc1cc(CNc2ccc([C@H](C)CC(=O)[O-])cc2)cc2c1OCO2 ZINC000417610617 1040063455 /nfs/dbraw/zinc/06/34/55/1040063455.db2.gz NRNHEOAZOWLHJD-GFCCVEGCSA-N -1 0 343.379 3.614 20 0 EHADRM O=S(=O)([N-]c1ccnc(-c2ccccc2)c1)c1cc(F)cc(F)c1 ZINC000479255129 1040077107 /nfs/dbraw/zinc/07/71/07/1040077107.db2.gz ZIOBJUPHZMFGOX-UHFFFAOYSA-N -1 0 346.358 3.828 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c1 ZINC000512553531 1040081291 /nfs/dbraw/zinc/08/12/91/1040081291.db2.gz FRXKDLOJBDGARW-GFCCVEGCSA-N -1 0 347.798 3.963 20 0 EHADRM Cc1c(NC(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)cccc1C(=O)[O-] ZINC000324770944 1040092473 /nfs/dbraw/zinc/09/24/73/1040092473.db2.gz DJIQABCWOHTLCG-NHYWBVRUSA-N -1 0 327.380 3.981 20 0 EHADRM CCC[C@@H](CC1CCCCC1)C(=O)NCc1nc(C(=O)[O-])cs1 ZINC000486369759 1040094162 /nfs/dbraw/zinc/09/41/62/1040094162.db2.gz KDNFXNHNKRBRMN-ZDUSSCGKSA-N -1 0 338.473 3.844 20 0 EHADRM CCCc1csc(CNc2cc(CCC(=O)[O-])ccc2OC)n1 ZINC000417634956 1040095907 /nfs/dbraw/zinc/09/59/07/1040095907.db2.gz ZOILKPBAGYCTLY-UHFFFAOYSA-N -1 0 334.441 3.734 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)c2ccccc2C2CCC2)sc1C(=O)[O-] ZINC000907626738 1040108278 /nfs/dbraw/zinc/10/82/78/1040108278.db2.gz DQWIYUPEWPLRQX-LLVKDONJSA-N -1 0 344.436 3.908 20 0 EHADRM CC1(C)C[C@@H](N=c2nc(C(F)(F)F)[n-]s2)c2ccc(F)cc2O1 ZINC000553482581 1040116398 /nfs/dbraw/zinc/11/63/98/1040116398.db2.gz GZRMXIVNXQCTQA-SECBINFHSA-N -1 0 347.337 3.832 20 0 EHADRM Cc1oc(C(C)(C)C)cc1C(=O)N(C)c1ccc(OCC(=O)[O-])cc1 ZINC000907677357 1040125994 /nfs/dbraw/zinc/12/59/94/1040125994.db2.gz VNQMBMTUDSHNDM-UHFFFAOYSA-N -1 0 345.395 3.626 20 0 EHADRM CCC(=C([O-])c1ccccc1)S(=O)(=O)c1cc(F)c(C)cc1F ZINC000555085752 1040142482 /nfs/dbraw/zinc/14/24/82/1040142482.db2.gz XKQAPZIQWJBPOX-HNNXBMFYSA-N -1 0 338.375 3.708 20 0 EHADRM CC1(CCC(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)F)CC1 ZINC000907728404 1040148663 /nfs/dbraw/zinc/14/86/63/1040148663.db2.gz YUUXJLKCTLYREF-UHFFFAOYSA-N -1 0 327.327 3.548 20 0 EHADRM CC(C)Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)s1 ZINC000907736992 1040152640 /nfs/dbraw/zinc/15/26/40/1040152640.db2.gz VWQLKHQILFDYAC-KKUMJFAQSA-N -1 0 335.469 3.662 20 0 EHADRM CCc1nc(=N[C@@H]2CSc3ccc(Br)cc32)s[n-]1 ZINC000486499200 1040193095 /nfs/dbraw/zinc/19/30/95/1040193095.db2.gz PDWMYSMUCWNTIQ-SECBINFHSA-N -1 0 342.287 3.544 20 0 EHADRM CCCC(=O)Nc1cccc(NC(=O)NCCCCCC(=O)[O-])c1C ZINC000417751788 1040212233 /nfs/dbraw/zinc/21/22/33/1040212233.db2.gz HVQNISXUJBNSIV-UHFFFAOYSA-N -1 0 349.431 3.500 20 0 EHADRM CCC(C)(C)c1ccccc1C(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@H]12 ZINC000907970183 1040251175 /nfs/dbraw/zinc/25/11/75/1040251175.db2.gz OABXGQPSNWFWHF-UICACZKSSA-N -1 0 329.440 3.603 20 0 EHADRM CC[C@@H](CC(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1)c1ccccc1 ZINC000236930214 1040253894 /nfs/dbraw/zinc/25/38/94/1040253894.db2.gz GIXUORQBKYFWGU-OLZOCXBDSA-N -1 0 346.452 3.911 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N[C@@H]1CCCC2(CC2)C1)C(=O)[O-] ZINC000907982651 1040257310 /nfs/dbraw/zinc/25/73/10/1040257310.db2.gz FPZIUGYAEZYDMT-CHWSQXEVSA-N -1 0 333.453 3.704 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)c1ccc(SC(F)F)cc1 ZINC000908018536 1040266580 /nfs/dbraw/zinc/26/65/80/1040266580.db2.gz IWZLDCBTWTVERF-LLVKDONJSA-N -1 0 331.384 3.621 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)CCc1ccc(-c2ccccc2)[nH]1 ZINC000908025434 1040269550 /nfs/dbraw/zinc/26/95/50/1040269550.db2.gz WRORVWIIXDPZPI-KRWDZBQOSA-N -1 0 342.439 3.620 20 0 EHADRM C[C@H](c1ccc(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)cc1)C(F)(F)F ZINC000908035863 1040273621 /nfs/dbraw/zinc/27/36/21/1040273621.db2.gz TXZPCUSJASSXEU-MFKMUULPSA-N -1 0 345.361 3.972 20 0 EHADRM Cc1ccc(-c2nc(NC(=O)[C@H](C)CCc3cccc(F)c3)n[nH]2)o1 ZINC000479479021 1040277407 /nfs/dbraw/zinc/27/74/07/1040277407.db2.gz ORBUCZIOPMSATP-LLVKDONJSA-N -1 0 342.374 3.720 20 0 EHADRM CCCCNc1ccccc1C(=O)N(C)c1cccc(CC(=O)[O-])c1 ZINC000908086189 1040279932 /nfs/dbraw/zinc/27/99/32/1040279932.db2.gz SOYWKBPJTPQJOO-UHFFFAOYSA-N -1 0 340.423 3.802 20 0 EHADRM Cc1ccc([C@@H]2C[C@H]2C(=O)N(C)c2cccc(CC(=O)[O-])c2)cc1C ZINC000908081216 1040291580 /nfs/dbraw/zinc/29/15/80/1040291580.db2.gz ZEAQZLSPWIEOHP-RBUKOAKNSA-N -1 0 337.419 3.697 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)/C=C/c1cc(C(=O)[O-])co1)C(C)(C)C ZINC000908118873 1040296408 /nfs/dbraw/zinc/29/64/08/1040296408.db2.gz GSZCULHXMVDWPM-IWAYRVGRSA-N -1 0 342.395 3.598 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)CC1CCC(C(=O)[O-])CC1)C(C)(C)C ZINC000908121152 1040296767 /nfs/dbraw/zinc/29/67/67/1040296767.db2.gz XSFUPSCQEAQPAB-JMLCCBQJSA-N -1 0 346.471 3.875 20 0 EHADRM CC(C)Oc1cccc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000899313477 1040313760 /nfs/dbraw/zinc/31/37/60/1040313760.db2.gz LOGUZXCPLTXYST-OAHLLOKOSA-N -1 0 334.416 3.725 20 0 EHADRM COc1ccc(C2CC2)c(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000899315988 1040319191 /nfs/dbraw/zinc/31/91/91/1040319191.db2.gz ARQLQTGTUCTRGX-AWEZNQCLSA-N -1 0 346.427 3.824 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1cc(F)ccc1OC(F)F ZINC000479521449 1040342729 /nfs/dbraw/zinc/34/27/29/1040342729.db2.gz FBTXWRNPCLUPES-UHFFFAOYSA-N -1 0 349.305 3.675 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cccc(F)c2)c1Br ZINC000152135455 1040346188 /nfs/dbraw/zinc/34/61/88/1040346188.db2.gz YWKLLNGGBZPBBA-UHFFFAOYSA-N -1 0 344.205 3.697 20 0 EHADRM CO[C@H](C)c1nc(=NCC(F)(F)c2ccc(Cl)cc2)s[n-]1 ZINC000553724507 1040372515 /nfs/dbraw/zinc/37/25/15/1040372515.db2.gz PSPAZDXSWIXYDJ-MRVPVSSYSA-N -1 0 333.791 3.525 20 0 EHADRM C[C@@H]1CCC[C@H](CNC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)[C@H]1C ZINC000479564681 1040388838 /nfs/dbraw/zinc/38/88/38/1040388838.db2.gz GRWKXDIVNWYXIR-UIVXKWKOSA-N -1 0 331.456 3.608 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908338278 1040399758 /nfs/dbraw/zinc/39/97/58/1040399758.db2.gz IAQXWGJBDFDSTA-OAHLLOKOSA-N -1 0 349.446 3.936 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)C[C@@H]2CCc3ccccc32)CCC1 ZINC000908343081 1040401959 /nfs/dbraw/zinc/40/19/59/1040401959.db2.gz VRCPZLYUGNZJGQ-INIZCTEOSA-N -1 0 329.440 3.648 20 0 EHADRM CC(C)OCc1ccc(C(=O)NCCCCC2(C(=O)[O-])CCC2)cc1 ZINC000908339812 1040402048 /nfs/dbraw/zinc/40/20/48/1040402048.db2.gz SPTFOYPYHLVAAT-UHFFFAOYSA-N -1 0 347.455 3.767 20 0 EHADRM CC(C)[C@H](C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1)c1cccc(Cl)c1 ZINC000908376389 1040420288 /nfs/dbraw/zinc/42/02/88/1040420288.db2.gz XOLRJBQWZWVJFS-MJEQTWJJSA-N -1 0 337.847 3.839 20 0 EHADRM CCC[C@@H](C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000908376912 1040420667 /nfs/dbraw/zinc/42/06/67/1040420667.db2.gz ZKRREMOVZZWRFQ-APHBMKBZSA-N -1 0 337.847 3.983 20 0 EHADRM CC(C)c1ccc2occ(C(=O)N[C@@H]3CC[C@H](CC(=O)[O-])C3)c2c1 ZINC000908383207 1040424947 /nfs/dbraw/zinc/42/49/47/1040424947.db2.gz LFIMLCOHTWEKDE-GXTWGEPZSA-N -1 0 329.396 3.929 20 0 EHADRM CCC[C@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000908403157 1040432733 /nfs/dbraw/zinc/43/27/33/1040432733.db2.gz CJLRCRDYDRGBPK-GXFFZTMASA-N -1 0 331.334 3.774 20 0 EHADRM O=c1cc(-c2ccccc2)[n-]n1-c1ccc(F)cc1Br ZINC000614185823 1040433980 /nfs/dbraw/zinc/43/39/80/1040433980.db2.gz RQXLATBWXBLEMA-UHFFFAOYSA-N -1 0 333.160 3.729 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(OC(F)F)nc2)c1 ZINC000555425348 1040557941 /nfs/dbraw/zinc/55/79/41/1040557941.db2.gz CBCSLHVYPDSGPG-UHFFFAOYSA-N -1 0 342.367 3.607 20 0 EHADRM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cccc(O)c1Br ZINC000908712156 1040607018 /nfs/dbraw/zinc/60/70/18/1040607018.db2.gz AMGWOCDBDTUMKY-MFKMUULPSA-N -1 0 342.233 3.689 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)N3CC=CC34CCCC4)c([O-])c2)o1 ZINC000913196741 1040639859 /nfs/dbraw/zinc/63/98/59/1040639859.db2.gz SLFZJXKXIHWKPQ-UHFFFAOYSA-N -1 0 337.375 3.790 20 0 EHADRM Cc1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1OC(F)F ZINC000908801780 1040658130 /nfs/dbraw/zinc/65/81/30/1040658130.db2.gz FKHSGHUBHBFZTJ-UHFFFAOYSA-N -1 0 339.338 3.570 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000908834343 1040675392 /nfs/dbraw/zinc/67/53/92/1040675392.db2.gz GYVHSBHKJBSAIQ-ZDUSSCGKSA-N -1 0 345.420 3.541 20 0 EHADRM CC(=O)c1ccc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)cc1C ZINC000908936498 1040714492 /nfs/dbraw/zinc/71/44/92/1040714492.db2.gz MYZVHEYPRZTIHH-GOSISDBHSA-N -1 0 339.391 3.534 20 0 EHADRM C[C@H](C(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl)C(C)(C)C ZINC000408442732 1040752070 /nfs/dbraw/zinc/75/20/70/1040752070.db2.gz MXMOTJWOZIEKGD-ZCFIWIBFSA-N -1 0 344.285 3.542 20 0 EHADRM Cc1nc(CC2CC2)sc1C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000909097656 1040799849 /nfs/dbraw/zinc/79/98/49/1040799849.db2.gz VAFQTJHNBHVUGI-TWGQIWQCSA-N -1 0 342.420 3.754 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)Nc1cc(F)cc(F)c1 ZINC000324202874 1040827566 /nfs/dbraw/zinc/82/75/66/1040827566.db2.gz WEFAAPQUPDZUIK-AWEZNQCLSA-N -1 0 326.343 3.510 20 0 EHADRM Cc1ccccc1[C@H](C)Sc1n[n-]c(=NC[C@@H]2CCCO2)s1 ZINC000481391453 1040831576 /nfs/dbraw/zinc/83/15/76/1040831576.db2.gz HPTFIRIPWVRTHT-STQMWFEESA-N -1 0 335.498 3.713 20 0 EHADRM CCCOc1cccc(F)c1Nc1cccc(S(=O)(=O)[O-])c1 ZINC001211788615 1040891500 /nfs/dbraw/zinc/89/15/00/1040891500.db2.gz YKFWRZSMRWYIAO-UHFFFAOYSA-N -1 0 325.361 3.605 20 0 EHADRM CC[C@@H]1C[C@H](CC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CCO1 ZINC000909271359 1040892520 /nfs/dbraw/zinc/89/25/20/1040892520.db2.gz BGNHEIKIJIMYQS-QMTHXVAHSA-N -1 0 325.792 3.572 20 0 EHADRM O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1cc(F)c(F)c([O-])c1F ZINC000481460007 1040918720 /nfs/dbraw/zinc/91/87/20/1040918720.db2.gz QGHUKHCQDZZIRA-HOMQSWHASA-N -1 0 339.288 3.625 20 0 EHADRM Cc1ccc(-c2c[nH]cc2C(=O)N2CC[C@](C(=O)[O-])(C(C)C)C2)s1 ZINC000909700310 1040941714 /nfs/dbraw/zinc/94/17/14/1040941714.db2.gz WWZIFDOQXUZZJJ-GOSISDBHSA-N -1 0 346.452 3.625 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)c1ccc([C@H](C)C(F)(F)F)cc1 ZINC000909686243 1040951878 /nfs/dbraw/zinc/95/18/78/1040951878.db2.gz CTGBSPRLFXARFP-ZBEGNZNMSA-N -1 0 345.361 3.972 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)N(CC(=O)[O-])[C@@H](C)CC ZINC000237014464 1040957965 /nfs/dbraw/zinc/95/79/65/1040957965.db2.gz GVFXLZAYFKSVLW-NOQIOLJMSA-N -1 0 333.428 3.589 20 0 EHADRM CC(C)(C)CC(C)(C)C(=O)OCc1nnc(-c2ccccc2O)o1 ZINC000909736676 1040987428 /nfs/dbraw/zinc/98/74/28/1040987428.db2.gz XAOLNHUQFMEKDC-UHFFFAOYSA-N -1 0 332.400 3.948 20 0 EHADRM CCC[C@@H](CNC(=O)c1ccc(NCc2ccsc2)cc1)C(=O)[O-] ZINC000909809841 1041021866 /nfs/dbraw/zinc/02/18/66/1041021866.db2.gz SHTVJGOLQLVBEJ-HNNXBMFYSA-N -1 0 346.452 3.591 20 0 EHADRM C[C@@H]1C[C@@H](C)N(C(=O)N=c2[n-]nc(-c3cccc(Cl)c3)s2)C1 ZINC000481529615 1041029048 /nfs/dbraw/zinc/02/90/48/1041029048.db2.gz BAYRDYZETRFHIV-NXEZZACHSA-N -1 0 336.848 3.543 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)CCO1 ZINC000909837069 1041033673 /nfs/dbraw/zinc/03/36/73/1041033673.db2.gz TUBIQLXKOGEBMU-ZQIUZPCESA-N -1 0 333.428 3.655 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2coc(C3CCCCC3)n2)cc1F ZINC000909847109 1041040053 /nfs/dbraw/zinc/04/00/53/1041040053.db2.gz PLDFMOKGFVDHJX-UHFFFAOYSA-N -1 0 346.358 3.741 20 0 EHADRM Cc1ccc(OC(F)F)c(CN=c2nc(C(F)(F)F)[n-]s2)c1 ZINC000557606508 1041048221 /nfs/dbraw/zinc/04/82/21/1041048221.db2.gz POLSKRXROCOUMK-UHFFFAOYSA-N -1 0 339.289 3.501 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)CCCSC(C)(C)C)n1 ZINC000909952070 1041079324 /nfs/dbraw/zinc/07/93/24/1041079324.db2.gz DHNLFMQANUBYCX-LBPRGKRZSA-N -1 0 341.477 3.559 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)C[C@@H](C(=O)[O-])c2ccc(C)cc2)s1 ZINC000899765431 1041095051 /nfs/dbraw/zinc/09/50/51/1041095051.db2.gz PTONYZWBBVEQMA-UKRRQHHQSA-N -1 0 331.437 3.801 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1c(F)cccc1Br ZINC000899773446 1041109900 /nfs/dbraw/zinc/10/99/00/1041109900.db2.gz MGMIKLFFTUADLU-VIFPVBQESA-N -1 0 346.196 3.664 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])C[C@H]1C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000899773776 1041110167 /nfs/dbraw/zinc/11/01/67/1041110167.db2.gz NPJGPJNUKUHCPD-VFZGTOFNSA-N -1 0 331.746 3.963 20 0 EHADRM CC(C)CCn1ccc([N-]S(=O)(=O)c2cccc3ccccc32)n1 ZINC000481592997 1041119732 /nfs/dbraw/zinc/11/97/32/1041119732.db2.gz PALUMQXGFIITBE-UHFFFAOYSA-N -1 0 343.452 3.883 20 0 EHADRM Cc1ccc([C@H](CC(=O)N2CC[C@@H](c3ccccc3)C2)C(=O)[O-])cc1 ZINC000899798418 1041133678 /nfs/dbraw/zinc/13/36/78/1041133678.db2.gz JWGWAPIPKIBEJC-MOPGFXCFSA-N -1 0 337.419 3.569 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)N(C)[C@@H](C)c1cc(F)ccc1F ZINC000899799138 1041136423 /nfs/dbraw/zinc/13/64/23/1041136423.db2.gz OKDDKAWKHOUFFA-RYUDHWBXSA-N -1 0 327.371 3.621 20 0 EHADRM O=S(=O)([N-]c1nc(C2CCC2)cs1)c1cccc2ccoc21 ZINC000571017468 1041144246 /nfs/dbraw/zinc/14/42/46/1041144246.db2.gz KTDOWXOYRVNXCS-UHFFFAOYSA-N -1 0 334.422 3.958 20 0 EHADRM Cc1cc(Nc2ccc(N3CCOCC3)c(C)c2)ccc1C(=O)[O-] ZINC001211657637 1041149349 /nfs/dbraw/zinc/14/93/49/1041149349.db2.gz SNJANHIQKGONMK-UHFFFAOYSA-N -1 0 326.396 3.582 20 0 EHADRM COc1ccc([C@H](C)NC(=O)c2c(C)ccc(C)c2C(=O)[O-])cc1C ZINC000899837308 1041181413 /nfs/dbraw/zinc/18/14/13/1041181413.db2.gz VGGKZSCCQVQUBY-AWEZNQCLSA-N -1 0 341.407 3.810 20 0 EHADRM Cc1ccc([C@H](CC(=O)NCc2ccc([C@@H]3C[C@@H]3C)o2)C(=O)[O-])cc1 ZINC000899831559 1041193298 /nfs/dbraw/zinc/19/32/98/1041193298.db2.gz UKGPXZFASBSMGV-XKQJLSEDSA-N -1 0 341.407 3.586 20 0 EHADRM CCC[C@@]1(C(=O)[O-])CCCN1C(=O)c1cnn(C2CCCCC2)c1C ZINC000910113844 1041196658 /nfs/dbraw/zinc/19/66/58/1041196658.db2.gz GGIOIWAUFAVWKN-IBGZPJMESA-N -1 0 347.459 3.556 20 0 EHADRM C[C@H](CC1CCCC1)C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])cs1 ZINC000910113633 1041197535 /nfs/dbraw/zinc/19/75/35/1041197535.db2.gz JLBJJXLZMNSXIW-BXUZGUMPSA-N -1 0 336.457 3.721 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])C(=O)N[C@@H](c1ccc(OC)cc1)C1CCC1 ZINC000899838708 1041202791 /nfs/dbraw/zinc/20/27/91/1041202791.db2.gz CPIFURYIZARKNJ-MJGOQNOKSA-N -1 0 333.428 3.544 20 0 EHADRM O=C([O-])[C@@]1(CC(=O)Nc2ccc(C(F)F)cc2)CCc2ccccc21 ZINC000899841836 1041205683 /nfs/dbraw/zinc/20/56/83/1041205683.db2.gz GBPIVQBJIZGTJE-LJQANCHMSA-N -1 0 345.345 3.922 20 0 EHADRM CCC(CC)(CC(=O)N[C@H]1C[C@H](c2ccc(F)cc2F)C1)C(=O)[O-] ZINC000899851041 1041209968 /nfs/dbraw/zinc/20/99/68/1041209968.db2.gz PWQSBNDMHJHBHW-AULYBMBSSA-N -1 0 339.382 3.608 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)NC[C@H](C)c1c(Cl)cccc1Cl ZINC000555843599 1041213666 /nfs/dbraw/zinc/21/36/66/1041213666.db2.gz PAFPMHZFDOJQDW-JTQLQIEISA-N -1 0 347.242 3.602 20 0 EHADRM C/C=C/C[C@@H](NC(=O)Nc1ccc(SC)c(Cl)c1)C(=O)[O-] ZINC000555851184 1041225982 /nfs/dbraw/zinc/22/59/82/1041225982.db2.gz MKSNSGUFYRMYKE-PGLGOXFNSA-N -1 0 328.821 3.603 20 0 EHADRM CSCCCCC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC000910219760 1041239325 /nfs/dbraw/zinc/23/93/25/1041239325.db2.gz KWOOKEQQMQKFCP-UHFFFAOYSA-N -1 0 347.383 3.501 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)CC(C)(C)CC(F)F)cc1F)C(=O)[O-] ZINC000910225400 1041243385 /nfs/dbraw/zinc/24/33/85/1041243385.db2.gz HTMBYIJOSCTIDI-VIFPVBQESA-N -1 0 347.333 3.688 20 0 EHADRM CC(C)C1(C(=O)Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)CCC1 ZINC001142651361 1041253226 /nfs/dbraw/zinc/25/32/26/1041253226.db2.gz UBKFPHXQILWEPY-UHFFFAOYSA-N -1 0 347.436 3.851 20 0 EHADRM CC[C@@H](OCCNC(=O)CC1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000652083778 1041410848 /nfs/dbraw/zinc/41/08/48/1041410848.db2.gz MCRODRVBTSZFSM-VMWRSERWSA-N -1 0 347.455 3.552 20 0 EHADRM CC(C)C[C@H](CNC(=O)C[C@H](C)c1ccc(F)cc1F)CC(=O)[O-] ZINC000652089245 1041552663 /nfs/dbraw/zinc/55/26/63/1041552663.db2.gz XQJCAQIVIQBEDG-STQMWFEESA-N -1 0 341.398 3.712 20 0 EHADRM C[C@@H]1CN(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CCc2ccc(Cl)cc21 ZINC000652092357 1041591069 /nfs/dbraw/zinc/59/10/69/1041591069.db2.gz KGANPPZCTWILJB-VHDGCEQUSA-N -1 0 349.858 3.719 20 0 EHADRM Cc1ccc(OCCCC(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])cc1C ZINC000432112762 1041608852 /nfs/dbraw/zinc/60/88/52/1041608852.db2.gz DBBSGISBALRDCK-XLIONFOSSA-N -1 0 347.455 3.612 20 0 EHADRM CCCOc1ccc([C@@H](C)N=c2[n-]nc(C3CC3)s2)cc1OC ZINC000432123269 1041617785 /nfs/dbraw/zinc/61/77/85/1041617785.db2.gz BDUDTRHKLAORKH-LLVKDONJSA-N -1 0 333.457 3.808 20 0 EHADRM CCC[C@H](CC1CCCC1)C(=O)N[C@H](CC1(OC)CCC1)C(=O)[O-] ZINC000652108645 1041618613 /nfs/dbraw/zinc/61/86/13/1041618613.db2.gz UGKXONHAUOFJQL-HZPDHXFCSA-N -1 0 339.476 3.512 20 0 EHADRM FC(F)c1n[n-]c(=NCc2nc(-c3cc4ccccc4o3)cs2)o1 ZINC000432142260 1041643377 /nfs/dbraw/zinc/64/33/77/1041643377.db2.gz DCBBNQZVIDMSJR-UHFFFAOYSA-N -1 0 348.334 3.911 20 0 EHADRM CCCCOc1ccc(NC(=O)N2CCC(C)(C(=O)[O-])CC2)c(C)c1 ZINC000647693821 1041702053 /nfs/dbraw/zinc/70/20/53/1041702053.db2.gz MKSROBSVYVYYGZ-UHFFFAOYSA-N -1 0 348.443 3.893 20 0 EHADRM C[C@@H](Cc1ccco1)NS(=O)(=O)c1cc(Cl)sc1Cl ZINC000026881896 1041740168 /nfs/dbraw/zinc/74/01/68/1041740168.db2.gz GXCUYGXDOHTZKD-ZETCQYMHSA-N -1 0 340.253 3.557 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1ccc2oc(=S)[n-]c2c1)C(F)(F)F ZINC000828948754 1041865909 /nfs/dbraw/zinc/86/59/09/1041865909.db2.gz KCNJHBRODHIKCC-LLVKDONJSA-N -1 0 332.347 3.823 20 0 EHADRM COCCOc1c(F)cc(Nc2ccc(C(=O)[O-])c(C)c2)cc1F ZINC001211663446 1041870279 /nfs/dbraw/zinc/87/02/79/1041870279.db2.gz JYIHWJMTKXTVOF-UHFFFAOYSA-N -1 0 337.322 3.740 20 0 EHADRM CC(C)(Oc1ccc(F)cc1)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000236712371 1041874975 /nfs/dbraw/zinc/87/49/75/1041874975.db2.gz JHBPFWKRLZPSGH-LFYBBSHMSA-N -1 0 343.354 3.720 20 0 EHADRM Cc1cnc(N2CCC[C@@H](CCC(=O)[O-])C2)nc1-c1ccccc1F ZINC000662887710 1042190068 /nfs/dbraw/zinc/19/00/68/1042190068.db2.gz OAPUPPHEBMCVHK-AWEZNQCLSA-N -1 0 343.402 3.672 20 0 EHADRM Cc1cc(C(=O)N2CC3CC2(C(=O)[O-])C3)sc1-c1ccc(F)cc1 ZINC000659179238 1042255741 /nfs/dbraw/zinc/25/57/41/1042255741.db2.gz UBVQXTLRCRBGLW-UHFFFAOYSA-N -1 0 345.395 3.552 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)OC)Cc1cc(O)cc(F)c1 ZINC000473139153 1042273248 /nfs/dbraw/zinc/27/32/48/1042273248.db2.gz PACWQBNGUBLIAJ-GOSISDBHSA-N -1 0 331.387 3.658 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000909376024 1042319230 /nfs/dbraw/zinc/31/92/30/1042319230.db2.gz URCVVLVRDQSJCK-AWEZNQCLSA-N -1 0 347.455 3.779 20 0 EHADRM O=C(NCCc1ccccc1Cl)c1cc(F)c([O-])c(Cl)c1 ZINC000184332282 1042461845 /nfs/dbraw/zinc/46/18/45/1042461845.db2.gz YAHLVKSNEOOXPV-UHFFFAOYSA-N -1 0 328.170 3.811 20 0 EHADRM Cc1c2ccccc2nc(C[N@H+]2CCS[C@@H](C)[C@@H]2C)c1C(=O)[O-] ZINC000652418714 1042466804 /nfs/dbraw/zinc/46/68/04/1042466804.db2.gz IKSINJLAJFLGSP-STQMWFEESA-N -1 0 330.453 3.567 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)C2CC3(C2)CCCCC3)c2ccccc21 ZINC000663121457 1042470793 /nfs/dbraw/zinc/47/07/93/1042470793.db2.gz YZZIHFWOKXMADZ-DLBZAZTESA-N -1 0 327.424 3.776 20 0 EHADRM Cc1nc2c(F)cccc2cc1C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000663120178 1042471331 /nfs/dbraw/zinc/47/13/31/1042471331.db2.gz SVWCPDGTSYRRQZ-UHFFFAOYSA-N -1 0 344.386 3.590 20 0 EHADRM O=C(NCc1ccc(F)c(Cl)c1)c1cc(F)c([O-])c(Cl)c1 ZINC000184358520 1042476850 /nfs/dbraw/zinc/47/68/50/1042476850.db2.gz PDAXSQGXLKVOBJ-UHFFFAOYSA-N -1 0 332.133 3.907 20 0 EHADRM CN(CC1(C)COC1)C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000628674578 1042481293 /nfs/dbraw/zinc/48/12/93/1042481293.db2.gz WCINRWFQGGDZTR-UHFFFAOYSA-N -1 0 345.826 3.821 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(C(=O)c1ccoc1CC(=O)[O-])C1CC1 ZINC000909399822 1042501465 /nfs/dbraw/zinc/50/14/65/1042501465.db2.gz FMHIISBBVBMDAU-NSHDSACASA-N -1 0 347.798 3.926 20 0 EHADRM C[C@H](c1ccc(Cl)cc1Cl)N1CCSC[C@H]1CC(=O)[O-] ZINC000251438056 1042541587 /nfs/dbraw/zinc/54/15/87/1042541587.db2.gz ABOLKOAWOIYOGD-MWLCHTKSSA-N -1 0 334.268 3.947 20 0 EHADRM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000184459786 1042551692 /nfs/dbraw/zinc/55/16/92/1042551692.db2.gz XJBBRNWMBRGWAR-GHMZBOCLSA-N -1 0 331.840 3.931 20 0 EHADRM C[C@@H](NC(=O)CC1(CC(=O)[O-])CCCCC1)C1CCC(F)CC1 ZINC000663229783 1042574974 /nfs/dbraw/zinc/57/49/74/1042574974.db2.gz OZISBSKGMMTBLH-WLYUNCDWSA-N -1 0 327.440 3.835 20 0 EHADRM Oc1cccc(C=Nn2c(=S)[n-]nc2-c2cccc(Cl)c2)c1 ZINC000254307047 1042576879 /nfs/dbraw/zinc/57/68/79/1042576879.db2.gz KQYPJLNYIQYBCP-UHFFFAOYSA-N -1 0 330.800 3.849 20 0 EHADRM C[C@@]1(c2cccc(F)c2)CCN(C(=O)c2cc(F)c([O-])c(F)c2)C1 ZINC000652619908 1042583309 /nfs/dbraw/zinc/58/33/09/1042583309.db2.gz VSIFIEZMMNBVPE-GOSISDBHSA-N -1 0 335.325 3.613 20 0 EHADRM CCc1cnc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2Cl)s1 ZINC000663263326 1042611912 /nfs/dbraw/zinc/61/19/12/1042611912.db2.gz YGOQUZUILQUESM-ZDUSSCGKSA-N -1 0 345.251 3.928 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)N[C@H](CC1CCC1)c1ccccc1)C(=O)[O-] ZINC000601994365 1042654960 /nfs/dbraw/zinc/65/49/60/1042654960.db2.gz VDPLFXSPIVGFQI-HEHGZKQESA-N -1 0 335.469 3.629 20 0 EHADRM CCn1c2ccc(C)cc2nc1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000186986902 1042737692 /nfs/dbraw/zinc/73/76/92/1042737692.db2.gz MCEAPXHWKGVAAO-UHFFFAOYSA-N -1 0 331.322 3.601 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2c(F)cccc2Cl)on1 ZINC000186986776 1042738202 /nfs/dbraw/zinc/73/82/02/1042738202.db2.gz YVMSMZGPOWWCEF-UHFFFAOYSA-N -1 0 332.784 3.565 20 0 EHADRM C[C@H](C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1cccc(Cl)c1 ZINC000653330329 1042775225 /nfs/dbraw/zinc/77/52/25/1042775225.db2.gz DBFWOLBLHLRUNL-YMRXKLBXSA-N -1 0 343.810 3.873 20 0 EHADRM Cc1cc(C(F)(F)F)ccc1CNC(=O)CC1(CC(=O)[O-])CCC1 ZINC000643342938 1042837609 /nfs/dbraw/zinc/83/76/09/1042837609.db2.gz PRLLAWSVGZNBHJ-UHFFFAOYSA-N -1 0 343.345 3.665 20 0 EHADRM CCCCC[C@@H](C)NC(=O)c1ccc(-n2ncc(C(=O)[O-])c2C)cc1 ZINC000236805385 1042914609 /nfs/dbraw/zinc/91/46/09/1042914609.db2.gz TYPLZTHUEPLQIF-CYBMUJFWSA-N -1 0 343.427 3.578 20 0 EHADRM CCOC(=O)CCc1c(C)[n-]n(-c2ccc(Cl)cc2Cl)c1=O ZINC000315271966 1042997287 /nfs/dbraw/zinc/99/72/87/1042997287.db2.gz DUUOGNBFIQBERP-LLVKDONJSA-N -1 0 343.210 3.675 20 0 EHADRM O=S(=O)([N-]c1ccc(OC(F)(F)F)cc1)c1ccccc1F ZINC000006316361 1043007866 /nfs/dbraw/zinc/00/78/66/1043007866.db2.gz NWIOSMXPZZQMEP-UHFFFAOYSA-N -1 0 335.278 3.525 20 0 EHADRM CCCc1n[n-]c(=NCc2ccc(OCC(F)(F)F)c(F)c2)s1 ZINC000544665597 1043040479 /nfs/dbraw/zinc/04/04/79/1043040479.db2.gz ZSNXCXIZNQYASZ-UHFFFAOYSA-N -1 0 349.353 3.605 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000585810307 1043087112 /nfs/dbraw/zinc/08/71/12/1043087112.db2.gz MRNKFTJVRGNPCB-QZTJIDSGSA-N -1 0 349.386 3.523 20 0 EHADRM COc1cc(NC(=O)CC2(C(=O)[O-])CCCCC2)ccc1Cl ZINC000318438748 1043094486 /nfs/dbraw/zinc/09/44/86/1043094486.db2.gz RQAFESDTYXTVES-UHFFFAOYSA-N -1 0 325.792 3.712 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)N(C)C2(C(=O)[O-])CCCCC2)c(C)s1 ZINC000324180164 1043275167 /nfs/dbraw/zinc/27/51/67/1043275167.db2.gz XDAQTQZMDVEQTD-GFCCVEGCSA-N -1 0 338.473 3.855 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N[C@@H]2CCCc3ccc(C)cc32)s1 ZINC000344255328 1043544403 /nfs/dbraw/zinc/54/44/03/1043544403.db2.gz PJFRIJCFEPXMGF-CYBMUJFWSA-N -1 0 348.497 3.580 20 0 EHADRM CCCCCC(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000236833281 1043604648 /nfs/dbraw/zinc/60/46/48/1043604648.db2.gz VIFVCBOZXKZWBV-ZDUSSCGKSA-N -1 0 342.233 3.661 20 0 EHADRM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)Nc1cc(Cl)ccc1Cl ZINC000319824039 1043610642 /nfs/dbraw/zinc/61/06/42/1043610642.db2.gz YPPNLOBJSDBNJH-DVYJOKAKSA-N -1 0 343.210 3.710 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccccc1SC(F)(F)F ZINC000319956525 1043811549 /nfs/dbraw/zinc/81/15/49/1043811549.db2.gz HUNUHFUIXPSFAY-ZJUUUORDSA-N -1 0 345.342 3.904 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)C(=O)c1ccccc1SCc1cccs1 ZINC000653336428 1043819803 /nfs/dbraw/zinc/81/98/03/1043819803.db2.gz DOTQTFCQUAOPIN-CQSZACIVSA-N -1 0 349.477 3.976 20 0 EHADRM Cc1ccc(SCC(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)cc1 ZINC000320157964 1043968524 /nfs/dbraw/zinc/96/85/24/1043968524.db2.gz XNPXSTTXAJXZOG-WDZFZDKYSA-N -1 0 327.405 3.824 20 0 EHADRM CC(C)CN=c1[n-]nc(SCC(=O)C2CCCCCC2)s1 ZINC000432539097 1044145031 /nfs/dbraw/zinc/14/50/31/1044145031.db2.gz UFKAGAYTPHOXAR-UHFFFAOYSA-N -1 0 327.519 3.660 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N[C@H]2CSc3ccccc32)s1 ZINC000344746738 1044377298 /nfs/dbraw/zinc/37/72/98/1044377298.db2.gz LHHWGPKLNXIXQG-LBPRGKRZSA-N -1 0 348.497 3.832 20 0 EHADRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)/C=C/c1ccc(Cl)s1 ZINC000094744317 1044382050 /nfs/dbraw/zinc/38/20/50/1044382050.db2.gz XBTZRXIBKOXUMG-JBSRMNHVSA-N -1 0 327.833 3.564 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2nc3ccsc3s2)cc1 ZINC000344981141 1044777808 /nfs/dbraw/zinc/77/78/08/1044777808.db2.gz PZXPYRFJCYNQQL-UHFFFAOYSA-N -1 0 340.451 3.557 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2onc(C3CC3)c2Cl)c(C)c1 ZINC000634784791 1125585467 /nfs/dbraw/zinc/58/54/67/1125585467.db2.gz FSJRUXNMIYYPRF-UHFFFAOYSA-N -1 0 326.805 3.623 20 0 EHADRM O=C(c1cccc(Br)c1[O-])N(CCC1CC1)CC1CC1 ZINC000620629389 1125616093 /nfs/dbraw/zinc/61/60/93/1125616093.db2.gz MGVTWRQSTUNJJX-UHFFFAOYSA-N -1 0 338.245 3.807 20 0 EHADRM CCc1ccc(O)c(C(=O)NC(C)(C)c2nc3ccccc3n2C)c1 ZINC000622519171 1126714096 /nfs/dbraw/zinc/71/40/96/1126714096.db2.gz STSUGRZQLSHWHH-UHFFFAOYSA-N -1 0 337.423 3.506 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccccc2OC(F)F)ccc1F ZINC000171265881 1126758492 /nfs/dbraw/zinc/75/84/92/1126758492.db2.gz DRSBSJBLYGUFGB-UHFFFAOYSA-N -1 0 331.315 3.536 20 0 EHADRM CCCN1Cc2cccc([N-]S(=O)(=O)c3cc(C)ccc3F)c2C1 ZINC000171346039 1126762632 /nfs/dbraw/zinc/76/26/32/1126762632.db2.gz QSTPGXLNFDKCBP-UHFFFAOYSA-N -1 0 348.443 3.661 20 0 EHADRM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)Nc1cccc(Cl)c1[O-] ZINC000172110466 1126780843 /nfs/dbraw/zinc/78/08/43/1126780843.db2.gz MICPEBRGRKXGDK-MRVPVSSYSA-N -1 0 327.714 3.730 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1cnn(Cc2ccccc2)c1 ZINC000172111370 1126780903 /nfs/dbraw/zinc/78/09/03/1126780903.db2.gz VCKNLCVGBHDMKC-UHFFFAOYSA-N -1 0 327.771 3.543 20 0 EHADRM Cc1cc([C@H](C)NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)c(C)s1 ZINC000336876586 1126813630 /nfs/dbraw/zinc/81/36/30/1126813630.db2.gz HFEXFNGGZWTPAE-DJJJIMSYSA-N -1 0 345.464 3.975 20 0 EHADRM CSC[C@@H](C)C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000174924614 1126863441 /nfs/dbraw/zinc/86/34/41/1126863441.db2.gz SPDAUMJVKYZNCG-ZCFIWIBFSA-N -1 0 338.654 3.746 20 0 EHADRM Cc1ccoc1C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000174922120 1126863733 /nfs/dbraw/zinc/86/37/33/1126863733.db2.gz VBZNIGYPTXHQPE-UHFFFAOYSA-N -1 0 330.565 3.962 20 0 EHADRM C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000623207629 1126896314 /nfs/dbraw/zinc/89/63/14/1126896314.db2.gz YQAQUOCXHUINBQ-GMSGAONNSA-N -1 0 340.210 3.727 20 0 EHADRM O=C([O-])CCCCCN1CCc2ccc(F)c(Br)c2C1 ZINC000623236891 1126900862 /nfs/dbraw/zinc/90/08/62/1126900862.db2.gz JDRAMDLSXWCMBN-UHFFFAOYSA-N -1 0 344.224 3.591 20 0 EHADRM COc1cc(CNC(=O)c2ccc3[n-]c(=S)oc3c2)ccc1C ZINC000073035289 1126985657 /nfs/dbraw/zinc/98/56/57/1126985657.db2.gz HYTJUGUOGPBFOH-UHFFFAOYSA-N -1 0 328.393 3.737 20 0 EHADRM COc1ccc(-c2n[nH]cc2C(=O)Nc2cccc(Cl)c2[O-])cc1 ZINC000179721872 1127084139 /nfs/dbraw/zinc/08/41/39/1127084139.db2.gz QTCCGGQGJQWGQO-UHFFFAOYSA-N -1 0 343.770 3.697 20 0 EHADRM O=S(=O)([N-]c1c(-c2ccccc2)ncn1C1CC1)c1cccs1 ZINC000623776221 1127163328 /nfs/dbraw/zinc/16/33/28/1127163328.db2.gz ITPZLUXTBMZDIQ-UHFFFAOYSA-N -1 0 345.449 3.747 20 0 EHADRM CSc1c(F)cc([N-]S(=O)(=O)c2ccccc2F)cc1F ZINC000181753315 1127294451 /nfs/dbraw/zinc/29/44/51/1127294451.db2.gz RPIHENVUPOHSKA-UHFFFAOYSA-N -1 0 333.356 3.627 20 0 EHADRM Cc1cc(Br)ccc1Cc1nc(=O)c2sccc2[n-]1 ZINC000182082131 1127311063 /nfs/dbraw/zinc/31/10/63/1127311063.db2.gz QGIXASJJLBYSEL-UHFFFAOYSA-N -1 0 335.226 3.646 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(Oc3ccncc3)c2)c(C)o1 ZINC000182799727 1127348360 /nfs/dbraw/zinc/34/83/60/1127348360.db2.gz VIPXPQRUBSRQTG-UHFFFAOYSA-N -1 0 344.392 3.885 20 0 EHADRM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000325118971 1127349929 /nfs/dbraw/zinc/34/99/29/1127349929.db2.gz RIYNDLQQVDSSHN-UMAGTOLTSA-N -1 0 345.782 3.844 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)nc2)c1Cl ZINC000764541235 1127504604 /nfs/dbraw/zinc/50/46/04/1127504604.db2.gz ACPFLDOOQZBNFR-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM Cc1cc(NC(=O)c2c([O-])cccc2F)c(F)cc1Br ZINC000383632461 1127550673 /nfs/dbraw/zinc/55/06/73/1127550673.db2.gz JGEDBCUEYWUWFW-UHFFFAOYSA-N -1 0 342.139 3.994 20 0 EHADRM C[C@H](CCC(C)(C)C)C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000755724316 1127574400 /nfs/dbraw/zinc/57/44/00/1127574400.db2.gz RAFCEMJMHFSXAR-GFCCVEGCSA-N -1 0 345.892 3.748 20 0 EHADRM Cc1ccc([C@@H](C)[C@@H](O)C(=O)Nc2ccc3[n-]c(=S)oc3c2)cc1 ZINC000765175764 1127582353 /nfs/dbraw/zinc/58/23/53/1127582353.db2.gz FYNPRURSZQFYPK-BDJLRTHQSA-N -1 0 342.420 3.528 20 0 EHADRM O=C([O-])[C@@H](CC(F)(F)F)NC(=O)Nc1ccc(Cl)cc1Cl ZINC000385754539 1127612085 /nfs/dbraw/zinc/61/20/85/1127612085.db2.gz QBMOBBBSCBBZJU-MRVPVSSYSA-N -1 0 345.104 3.521 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(F)cc(F)c2)c1 ZINC000023371903 1127696767 /nfs/dbraw/zinc/69/67/67/1127696767.db2.gz NCIIDNAUTJLFKU-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM O=S(=O)([N-]c1ccc(Oc2ccccc2)nc1)c1ccccc1F ZINC000047212113 1128003689 /nfs/dbraw/zinc/00/36/89/1128003689.db2.gz WGXRUHMNJQRFCY-UHFFFAOYSA-N -1 0 344.367 3.814 20 0 EHADRM COc1ccc(CCCCC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000347525359 1128041735 /nfs/dbraw/zinc/04/17/35/1128041735.db2.gz TZRUBOTYIFRZCP-QGZVFWFLSA-N -1 0 347.455 3.511 20 0 EHADRM CC(C)Oc1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1 ZINC000060443290 1128102420 /nfs/dbraw/zinc/10/24/20/1128102420.db2.gz ZCAOGJHPMRWOOR-UHFFFAOYSA-N -1 0 345.342 3.692 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(Br)cc(Cl)c2[O-])C[C@@H]1C ZINC000073147827 1128317726 /nfs/dbraw/zinc/31/77/26/1128317726.db2.gz HDXFGSOIGRUTEC-YUMQZZPRSA-N -1 0 332.625 3.536 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@@H](c2ccco2)c2ccccc2)CCCC1 ZINC000074390778 1128340206 /nfs/dbraw/zinc/34/02/06/1128340206.db2.gz LKKWTYDVFMZZOL-QGZVFWFLSA-N -1 0 327.380 3.520 20 0 EHADRM Cc1n[n-]c(=N[C@@H]2CCCSc3ccc(Br)cc32)o1 ZINC000624555501 1128392325 /nfs/dbraw/zinc/39/23/25/1128392325.db2.gz JMLKCFWCKDNVHD-LLVKDONJSA-N -1 0 340.246 3.602 20 0 EHADRM CC(C)CCO[C@H]1CC[C@H](N=c2[n-]c(C(F)(F)F)ns2)CC1 ZINC000624560314 1128394323 /nfs/dbraw/zinc/39/43/23/1128394323.db2.gz ZSLYENIXJDQSCM-XYPYZODXSA-N -1 0 337.411 3.765 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)[N-]S(=O)(=O)CC2CC2)cc1 ZINC000073539077 1128395871 /nfs/dbraw/zinc/39/58/71/1128395871.db2.gz YLAHTMSUASSDBX-UHFFFAOYSA-N -1 0 335.450 3.768 20 0 EHADRM O=S(=O)([N-]c1ncc(C(F)(F)F)s1)c1ccc(Cl)cc1 ZINC000473761558 1128454517 /nfs/dbraw/zinc/45/45/17/1128454517.db2.gz GZHHANBTWRTFPL-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM FC(F)(F)c1cc(CN=c2[n-]nc(C3CCOCC3)s2)cs1 ZINC000624704487 1128461160 /nfs/dbraw/zinc/46/11/60/1128461160.db2.gz VKKRPEHKTXSLLM-UHFFFAOYSA-N -1 0 349.403 3.546 20 0 EHADRM FC(F)(F)C1(CN=c2[n-]nc(-c3ccccn3)s2)CCCC1 ZINC000624708223 1128468181 /nfs/dbraw/zinc/46/81/81/1128468181.db2.gz ZLSNJQWZXCVTGK-UHFFFAOYSA-N -1 0 328.363 3.557 20 0 EHADRM O=C(/C=C/c1ccc(F)nc1)c1cc(Br)cc(F)c1[O-] ZINC000186424101 1128488811 /nfs/dbraw/zinc/48/88/11/1128488811.db2.gz WWSVFVBNFITDTK-HNQUOIGGSA-N -1 0 340.123 3.724 20 0 EHADRM CCc1nc2cc(NC(=O)C[C@@H](C(=O)[O-])c3ccccc3)ccc2o1 ZINC000055150510 1128506961 /nfs/dbraw/zinc/50/69/61/1128506961.db2.gz VMHQEWPSDVXGBE-CQSZACIVSA-N -1 0 338.363 3.587 20 0 EHADRM CCn1cncc1-c1nc(-c2ccc3[n-]c(=S)sc3c2)no1 ZINC001212427570 1128558320 /nfs/dbraw/zinc/55/83/20/1128558320.db2.gz YTCIDIDOLKGGJA-UHFFFAOYSA-N -1 0 329.410 3.518 20 0 EHADRM Cc1cccc2c(=O)[nH]c(C(Cl)=Cc3cc(C(=O)[O-])cs3)nc12 ZINC000765824063 1128515768 /nfs/dbraw/zinc/51/57/68/1128515768.db2.gz JEOBEHHANMOLLG-SDQBBNPISA-N -1 0 346.795 3.728 20 0 EHADRM Cc1cccc(CO[N-]C(=O)[C@H](C)Oc2cccc3ccccc32)n1 ZINC001168635063 1128520216 /nfs/dbraw/zinc/52/02/16/1128520216.db2.gz XSTMVJCWDQKOFW-HNNXBMFYSA-N -1 0 336.391 3.559 20 0 EHADRM CC[C@H](CNC(=O)N=c1ncn(C2CCCCC2)[n-]1)c1ccccc1 ZINC000542721026 1128560890 /nfs/dbraw/zinc/56/08/90/1128560890.db2.gz INPXGMXIOOKVJO-OAHLLOKOSA-N -1 0 341.459 3.521 20 0 EHADRM Cc1cc(C)nc([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)n1 ZINC000542762281 1128585995 /nfs/dbraw/zinc/58/59/95/1128585995.db2.gz ICGHYVJXDLXIIQ-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM CC(C)c1nc(=N[C@@H]2CCCc3cn(C4CCCC4)nc32)s[n-]1 ZINC000542814739 1128658119 /nfs/dbraw/zinc/65/81/19/1128658119.db2.gz XVJZQHFIJRNBBQ-CQSZACIVSA-N -1 0 331.489 3.885 20 0 EHADRM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(C)cc3F)cc2)co1 ZINC000404965265 1128704415 /nfs/dbraw/zinc/70/44/15/1128704415.db2.gz RVUQUUXGDVILRV-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)CCc1ccc(Cl)cc1Cl ZINC000388434808 1128740973 /nfs/dbraw/zinc/74/09/73/1128740973.db2.gz GHFDZJIWPFYWQO-CJNGLKHVSA-N -1 0 344.238 3.686 20 0 EHADRM CCC=C(C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1Br ZINC000075040557 1128838943 /nfs/dbraw/zinc/83/89/43/1128838943.db2.gz CQDFNVDDAZLBBH-YHYXMXQVSA-N -1 0 346.246 3.759 20 0 EHADRM O=C(c1c([O-])cc(F)cc1F)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111650627 1128878471 /nfs/dbraw/zinc/87/84/71/1128878471.db2.gz NNPUZKYPKQHFKL-NSHDSACASA-N -1 0 337.753 3.954 20 0 EHADRM O=C(Nc1cc(-c2cccnc2)[nH]n1)c1cc(Cl)cc(Cl)c1[O-] ZINC001648865760 1120057518 /nfs/dbraw/zinc/05/75/18/1120057518.db2.gz KCFYJXXZOMPANV-UHFFFAOYSA-N -1 0 349.177 3.736 20 0 EHADRM Cc1cc(F)c(S(=O)(=O)[N-]C2(C)CCC(F)(F)CC2)c(F)c1 ZINC001670387607 1120067547 /nfs/dbraw/zinc/06/75/47/1120067547.db2.gz IZXAPBLJQMHJTA-UHFFFAOYSA-N -1 0 339.354 3.520 20 0 EHADRM O=S(=O)([N-]CC(C1CCC1)C1CCC1)c1c(F)cc(F)cc1F ZINC001670582244 1120088633 /nfs/dbraw/zinc/08/86/33/1120088633.db2.gz BCVPVODKDFFRBV-UHFFFAOYSA-N -1 0 347.402 3.599 20 0 EHADRM O=C(Nc1nc2c(cc(Cl)cc2Cl)[nH]1)c1ccc(F)cc1[O-] ZINC001648952895 1120255889 /nfs/dbraw/zinc/25/58/89/1120255889.db2.gz PHZAPLBNDYZEQC-UHFFFAOYSA-N -1 0 340.141 3.967 20 0 EHADRM CC[C@@H](NCc1ccc(F)c(C(F)(F)F)c1)c1nc(C(=O)[O-])c[nH]1 ZINC000904066095 1120351962 /nfs/dbraw/zinc/35/19/62/1120351962.db2.gz XJJHSFIEPRFAGX-LLVKDONJSA-N -1 0 345.296 3.507 20 0 EHADRM Cc1nc2ccc(NC(=O)C[C@@H](C(=O)[O-])c3ccccc3)cc2s1 ZINC000013249551 1128917178 /nfs/dbraw/zinc/91/71/78/1128917178.db2.gz QLAXFEPGKCSBKT-CQSZACIVSA-N -1 0 340.404 3.802 20 0 EHADRM CSCc1ccccc1[N-]S(=O)(=O)c1c(C)cccc1F ZINC000187046978 1120485037 /nfs/dbraw/zinc/48/50/37/1120485037.db2.gz QSCGBXBACDXSFZ-UHFFFAOYSA-N -1 0 325.430 3.798 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)nn2)c(C)s1 ZINC000191036754 1120658942 /nfs/dbraw/zinc/65/89/42/1120658942.db2.gz VSIIZKGXMYPNKW-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1 ZINC000761650790 1120702019 /nfs/dbraw/zinc/70/20/19/1120702019.db2.gz MZRPERHFRZVXNE-SJCJKPOMSA-N -1 0 325.836 3.668 20 0 EHADRM O=S(=O)([N-]c1ccc2scnc2c1)c1ccc(Cl)cc1F ZINC000195107356 1120764897 /nfs/dbraw/zinc/76/48/97/1120764897.db2.gz JOBWAJDKHNYPJC-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM Cc1nonc1[N-]C(=O)c1sc(-c2ccccc2)nc1C(F)F ZINC000761671195 1120780259 /nfs/dbraw/zinc/78/02/59/1120780259.db2.gz XVTOBINMEVBRBG-UHFFFAOYSA-N -1 0 336.323 3.691 20 0 EHADRM CCn1ncc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc21 ZINC000194689370 1120854960 /nfs/dbraw/zinc/85/49/60/1120854960.db2.gz YYXPKFGMJXPPPD-UHFFFAOYSA-N -1 0 335.816 3.510 20 0 EHADRM CC[C@H]1CCCN(C(=O)c2cc(Br)ccc2O)CC1 ZINC000227353773 1120877466 /nfs/dbraw/zinc/87/74/66/1120877466.db2.gz OBYIMXWHSROLPD-NSHDSACASA-N -1 0 326.234 3.807 20 0 EHADRM CCC(CC)(CC(=O)Nc1cc(C)cc(Br)c1)C(=O)[O-] ZINC000230224284 1120999322 /nfs/dbraw/zinc/99/93/22/1120999322.db2.gz NFMCXMOQOUQZLV-UHFFFAOYSA-N -1 0 342.233 3.977 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)c2c(Cl)cccc2Cl)C1 ZINC000232761329 1121149408 /nfs/dbraw/zinc/14/94/08/1121149408.db2.gz GGMSTQLNNBRZNR-OAHLLOKOSA-N -1 0 330.211 3.566 20 0 EHADRM Cc1ccc(-c2nc(C(=O)Nc3ccc(F)c(C(=O)[O-])c3)cs2)o1 ZINC000915150228 1121222225 /nfs/dbraw/zinc/22/22/25/1121222225.db2.gz RVGUSCZIURZPJZ-UHFFFAOYSA-N -1 0 346.339 3.801 20 0 EHADRM CCC(=O)c1ccc(OCC(=O)Nc2cccc(Cl)c2[O-])cc1 ZINC000077011412 1128974110 /nfs/dbraw/zinc/97/41/10/1128974110.db2.gz QCFIIJQIZWVUAT-UHFFFAOYSA-N -1 0 333.771 3.656 20 0 EHADRM COc1cc(CCC(=O)Nc2cccc(Cl)c2[O-])cc(OC)c1 ZINC000077011382 1128974536 /nfs/dbraw/zinc/97/45/36/1128974536.db2.gz YXCFEGXPTATHCQ-UHFFFAOYSA-N -1 0 335.787 3.634 20 0 EHADRM COc1ccc2[nH]cc(CC(=O)Nc3cccc(Cl)c3[O-])c2c1 ZINC000077012842 1128974861 /nfs/dbraw/zinc/97/48/61/1128974861.db2.gz VRZWVEWDSCVZFR-UHFFFAOYSA-N -1 0 330.771 3.717 20 0 EHADRM O=C(Nc1ccc(Br)cc1O)c1ccc([O-])c(Cl)c1 ZINC000077022692 1128975410 /nfs/dbraw/zinc/97/54/10/1128975410.db2.gz MAHVMOPPWYAALZ-UHFFFAOYSA-N -1 0 342.576 3.766 20 0 EHADRM O=C(Nc1ccccc1[C@H](O)C(F)(F)F)c1cc(F)c([O-])c(F)c1 ZINC000762633790 1121390944 /nfs/dbraw/zinc/39/09/44/1121390944.db2.gz NATLEIXCNFNPOB-ZDUSSCGKSA-N -1 0 347.239 3.518 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000011804977 1128982864 /nfs/dbraw/zinc/98/28/64/1128982864.db2.gz GBDHTTKWBREQBN-DLBZAZTESA-N -1 0 330.428 3.506 20 0 EHADRM Cc1cnc(C2CCN(C(=O)c3cccc(Cl)c3[O-])CC2)s1 ZINC000762731472 1121431063 /nfs/dbraw/zinc/43/10/63/1121431063.db2.gz AKWGCRDBALLVPJ-UHFFFAOYSA-N -1 0 336.844 3.830 20 0 EHADRM CCn1c(C(=O)Nc2cc(C(=O)[O-])ccc2F)cc2ccccc21 ZINC000237199834 1121476083 /nfs/dbraw/zinc/47/60/83/1121476083.db2.gz OIKKWWYHZLSBKE-UHFFFAOYSA-N -1 0 326.327 3.751 20 0 EHADRM Cc1cccc([C@H](C)C(=O)Nc2ccccc2-n2ccc(C(=O)[O-])n2)c1 ZINC000237462101 1121484158 /nfs/dbraw/zinc/48/41/58/1121484158.db2.gz IBKHLXAFYCOFBQ-AWEZNQCLSA-N -1 0 349.390 3.621 20 0 EHADRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2ccccc2c1 ZINC000032585624 1121620652 /nfs/dbraw/zinc/62/06/52/1121620652.db2.gz MHQQBHNABQASAQ-UHFFFAOYSA-N -1 0 342.376 3.857 20 0 EHADRM CCC(CC)(CC)SCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000762970056 1121623695 /nfs/dbraw/zinc/62/36/95/1121623695.db2.gz CMVOSCCKGDPLCW-UHFFFAOYSA-N -1 0 326.487 3.711 20 0 EHADRM COc1ccccc1OCCC(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000762984729 1121638358 /nfs/dbraw/zinc/63/83/58/1121638358.db2.gz MPAKBLYYLJCRNP-UHFFFAOYSA-N -1 0 344.392 3.533 20 0 EHADRM COc1cccc(SCC(=O)Nc2ccc3[n-]c(=S)oc3c2)c1 ZINC000762983762 1121639693 /nfs/dbraw/zinc/63/96/93/1121639693.db2.gz BUPNQXSMLKOERF-UHFFFAOYSA-N -1 0 346.433 3.856 20 0 EHADRM Cc1ccc(-c2cc(C(=O)Nc3ccc4[n-]c(=S)oc4c3)n[nH]2)o1 ZINC000762999590 1121648148 /nfs/dbraw/zinc/64/81/48/1121648148.db2.gz FQXCYODDDMOAOL-UHFFFAOYSA-N -1 0 340.364 3.660 20 0 EHADRM COc1c(F)cc([N-]S(=O)(=O)c2ccc(C)cc2Cl)cc1F ZINC000055682287 1121856624 /nfs/dbraw/zinc/85/66/24/1121856624.db2.gz SCGNOFYTHPKYSL-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM CCc1ccc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)cc1C ZINC000326339671 1121920195 /nfs/dbraw/zinc/92/01/95/1121920195.db2.gz RMVFKOCNHKGZJX-HXUWFJFHSA-N -1 0 325.408 3.929 20 0 EHADRM COc1cc(/C=C\c2cc(C=O)c(C)s2)ccc1OCCC(=O)[O-] ZINC000763374486 1122172798 /nfs/dbraw/zinc/17/27/98/1122172798.db2.gz SOILFDSNGCDMTO-HYXAFXHYSA-N -1 0 346.404 3.902 20 0 EHADRM C/C=C/C=C/C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000064510056 1122315180 /nfs/dbraw/zinc/31/51/80/1122315180.db2.gz XAJVCASVNGZGDM-MHCRVGIVSA-N -1 0 342.420 3.558 20 0 EHADRM CCSc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000916764091 1122343866 /nfs/dbraw/zinc/34/38/66/1122343866.db2.gz IZZXYXIHHOLUAO-UHFFFAOYSA-N -1 0 349.477 3.534 20 0 EHADRM CCCCCCC(=O)[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000916804752 1122351549 /nfs/dbraw/zinc/35/15/49/1122351549.db2.gz RGFYUDMVRVJJGP-UHFFFAOYSA-N -1 0 325.474 3.696 20 0 EHADRM C[C@H](CC(=O)[N-]S(=O)(=O)c1ccccc1Cl)CC(C)(C)C ZINC000916800260 1122355253 /nfs/dbraw/zinc/35/52/53/1122355253.db2.gz QYZDFHXVQJYXJG-LLVKDONJSA-N -1 0 331.865 3.607 20 0 EHADRM COc1cc(-c2nc3ccccc3n2C(C)C)ccc1OCC(=O)[O-] ZINC000916854959 1122368914 /nfs/dbraw/zinc/36/89/14/1122368914.db2.gz QVZSFPGUJFIHEF-UHFFFAOYSA-N -1 0 340.379 3.756 20 0 EHADRM O=S(=O)([N-]c1cc(C2CCCC2)[nH]n1)c1cc2ccccc2o1 ZINC000126816839 1122441227 /nfs/dbraw/zinc/44/12/27/1122441227.db2.gz IZZJLQKXWJJSLJ-UHFFFAOYSA-N -1 0 331.397 3.614 20 0 EHADRM CCN(CC(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl)C1CC1 ZINC000127651233 1122499905 /nfs/dbraw/zinc/49/99/05/1122499905.db2.gz ACCWCRCMLLGDDX-UHFFFAOYSA-N -1 0 337.634 3.775 20 0 EHADRM CCOc1ccc(C(=O)[O-])cc1Nc1c(Cl)cnnc1Cl ZINC001214270684 1122656056 /nfs/dbraw/zinc/65/60/56/1122656056.db2.gz JSZWFKKFLRCTQJ-UHFFFAOYSA-N -1 0 328.155 3.624 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000129388467 1122773498 /nfs/dbraw/zinc/77/34/98/1122773498.db2.gz XDBHDKRDNCXJCI-INIZCTEOSA-N -1 0 345.826 3.867 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)c2cccc(CC(=O)[O-])c2)c(C)c1 ZINC000630289555 1122811452 /nfs/dbraw/zinc/81/14/52/1122811452.db2.gz SINWMBYPYMMLAH-HNNXBMFYSA-N -1 0 325.408 3.764 20 0 EHADRM CN(C(=O)c1cc(C(=O)[O-])co1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000630293762 1122814721 /nfs/dbraw/zinc/81/47/21/1122814721.db2.gz AGNWASMPTLZXQE-JKSUJKDBSA-N -1 0 327.380 3.776 20 0 EHADRM CCCc1nc(C)c(C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)s1 ZINC000918595093 1122861966 /nfs/dbraw/zinc/86/19/66/1122861966.db2.gz OCMJBZASAJVCDR-YFHOEESVSA-N -1 0 330.409 3.754 20 0 EHADRM C/C=C\C[C@H](NC(=O)CCCc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000556219417 1122884890 /nfs/dbraw/zinc/88/48/90/1122884890.db2.gz KRLJCBZWCNMEID-SFAKSCPVSA-N -1 0 343.345 3.564 20 0 EHADRM CCc1ccc(C(=O)[O-])cc1NCc1c[nH]nc1-c1ccc(C)o1 ZINC000556320772 1122925113 /nfs/dbraw/zinc/92/51/13/1122925113.db2.gz CHKRWRFNAFBLLR-UHFFFAOYSA-N -1 0 325.368 3.851 20 0 EHADRM CC(C)(C)CN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000498647512 1123006916 /nfs/dbraw/zinc/00/69/16/1123006916.db2.gz SYIFOSZXGUKOGD-SJORKVTESA-N -1 0 331.456 3.952 20 0 EHADRM C[C@@H](c1nc2ccccc2s1)N(C)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262901325 1123078470 /nfs/dbraw/zinc/07/84/70/1123078470.db2.gz IESBWIQQJKPBLR-AVGNSLFASA-N -1 0 346.452 3.707 20 0 EHADRM O=C(Nc1ccc(F)cc1OCC(F)F)c1c([O-])cccc1F ZINC000131314375 1123080040 /nfs/dbraw/zinc/08/00/40/1123080040.db2.gz XUOAMXSAYVOLLM-UHFFFAOYSA-N -1 0 329.249 3.567 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)nc1n2CCCCC1)c1ccsc1 ZINC000556796127 1123127509 /nfs/dbraw/zinc/12/75/09/1123127509.db2.gz ICSBRSMMUCYHOO-UHFFFAOYSA-N -1 0 347.465 3.625 20 0 EHADRM CC(C)COc1ccc(C(C)(C)C(=O)[N-]OCCC(F)(F)F)cc1 ZINC000155059451 1123128842 /nfs/dbraw/zinc/12/88/42/1123128842.db2.gz CGCZOQFDAVGYBH-UHFFFAOYSA-N -1 0 347.377 3.999 20 0 EHADRM Clc1cccc([C@H]2CC[C@H](N=c3[n-]c(C4CCOCC4)no3)C2)c1 ZINC000556846881 1123152682 /nfs/dbraw/zinc/15/26/82/1123152682.db2.gz WKCKFGSSVNFVJA-HOCLYGCPSA-N -1 0 347.846 3.787 20 0 EHADRM Cc1cc(C)c(Nc2ccnc(Cl)c2Cl)c(S(=O)(=O)[O-])c1 ZINC001212242791 1123154682 /nfs/dbraw/zinc/15/46/82/1123154682.db2.gz NTMCNWUKSXIKMY-UHFFFAOYSA-N -1 0 347.223 3.996 20 0 EHADRM CC1(C)CCN(C(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000073147760 1123189290 /nfs/dbraw/zinc/18/92/90/1123189290.db2.gz SYXUFAHEFUUWDA-UHFFFAOYSA-N -1 0 332.625 3.680 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000132115824 1123202141 /nfs/dbraw/zinc/20/21/41/1123202141.db2.gz VPMYMXSIUSUGFE-UHFFFAOYSA-N -1 0 347.362 3.592 20 0 EHADRM O=c1nc(Cc2cccc(F)c2)[n-]c2c(-c3ccccc3)nsc21 ZINC000543018396 1129109229 /nfs/dbraw/zinc/10/92/29/1129109229.db2.gz PTYFUXYCPMYCPG-UHFFFAOYSA-N -1 0 337.379 3.777 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-])c1ccccc1C(F)(F)F ZINC000920208458 1123334033 /nfs/dbraw/zinc/33/40/33/1123334033.db2.gz AYCKGCDHRAVZRT-WCFLWFBJSA-N -1 0 341.329 3.550 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])c1ccccc1C(F)(F)F ZINC000920208456 1123334249 /nfs/dbraw/zinc/33/42/49/1123334249.db2.gz AYCKGCDHRAVZRT-DRZSPHRISA-N -1 0 341.329 3.550 20 0 EHADRM CCCCOc1ncccc1CNC(=O)c1c(O)cccc1Cl ZINC000920471289 1123377081 /nfs/dbraw/zinc/37/70/81/1123377081.db2.gz CPPWYFVVCLJBKQ-UHFFFAOYSA-N -1 0 334.803 3.550 20 0 EHADRM CCC[C@@H](C)CC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC000263149124 1123489001 /nfs/dbraw/zinc/48/90/01/1123489001.db2.gz WPNKVVKAINKWDG-UHOFOFEASA-N -1 0 337.847 3.793 20 0 EHADRM CCN(Cc1cccc(Cl)c1)C(=O)c1c([O-])cc(F)cc1F ZINC000066044482 1129125548 /nfs/dbraw/zinc/12/55/48/1129125548.db2.gz BSFDYYBAMXAAOI-UHFFFAOYSA-N -1 0 325.742 3.986 20 0 EHADRM O=c1nc(-c2ccc(F)c(Br)c2)[n-]c2ccsc21 ZINC000134529026 1123530335 /nfs/dbraw/zinc/53/03/35/1123530335.db2.gz LOFXJZFGNMNXFE-UHFFFAOYSA-N -1 0 325.162 3.553 20 0 EHADRM Cc1cc(NC(=O)c2ccc(F)cc2OC(F)F)ccc1C(=O)[O-] ZINC000237733373 1123535115 /nfs/dbraw/zinc/53/51/15/1123535115.db2.gz UNOBNASMAJFBSK-UHFFFAOYSA-N -1 0 339.269 3.686 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cccc(O)c2)c(Cl)c1Cl ZINC000134611899 1123536561 /nfs/dbraw/zinc/53/65/61/1123536561.db2.gz PYCHBQXJNZDYAO-UHFFFAOYSA-N -1 0 348.207 3.508 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)ccc1C(=O)[O-] ZINC000237815176 1123540447 /nfs/dbraw/zinc/54/04/47/1123540447.db2.gz MHMHABARLCAFML-LSDHHAIUSA-N -1 0 331.318 3.714 20 0 EHADRM Cc1nc([C@H](C)NC(=O)C(C)(C)Cc2ccccc2)sc1C(=O)[O-] ZINC000237540800 1123543676 /nfs/dbraw/zinc/54/36/76/1123543676.db2.gz GPJNECNHEVSMTO-LBPRGKRZSA-N -1 0 346.452 3.596 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2Cl)c1 ZINC000238216426 1123571703 /nfs/dbraw/zinc/57/17/03/1123571703.db2.gz RKSIOELHESJMQT-QWHCGFSZSA-N -1 0 347.773 3.597 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)CCc1ccc(Cl)cc1 ZINC000237583855 1123781064 /nfs/dbraw/zinc/78/10/64/1123781064.db2.gz YYWFWGYWIFYWGM-QGZVFWFLSA-N -1 0 345.826 3.913 20 0 EHADRM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000237662891 1123808112 /nfs/dbraw/zinc/80/81/12/1123808112.db2.gz RIYNDLQQVDSSHN-PMDBQALLSA-N -1 0 345.782 3.844 20 0 EHADRM Cc1nc2ccccc2c(C)c1CC(=O)NCCCCCCC(=O)[O-] ZINC000237754091 1123846158 /nfs/dbraw/zinc/84/61/58/1123846158.db2.gz YMZZCQXXPGOJAG-UHFFFAOYSA-N -1 0 342.439 3.545 20 0 EHADRM CSc1ccc(O)c(C(=O)N2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1 ZINC000615848033 1123894245 /nfs/dbraw/zinc/89/42/45/1123894245.db2.gz AMYVSMFQDCFPJK-CVEARBPZSA-N -1 0 347.480 3.535 20 0 EHADRM O=C([O-])COc1cccc(C(=O)/C=C/c2ccc3ncccc3c2)c1 ZINC000068762271 1124026331 /nfs/dbraw/zinc/02/63/31/1124026331.db2.gz OGLWWHXSOLGNKT-VQHVLOKHSA-N -1 0 333.343 3.594 20 0 EHADRM O=S(=O)([N-]c1ncc(Cc2ccccc2)s1)c1ccccc1F ZINC000078558192 1129163279 /nfs/dbraw/zinc/16/32/79/1129163279.db2.gz MFWIJUITBLREER-UHFFFAOYSA-N -1 0 348.424 3.674 20 0 EHADRM CC[C@H](C)N(CC)C(=O)c1cccc(C(=O)N(CC)[C@@H](C)CC)c1[O-] ZINC000616978182 1124061194 /nfs/dbraw/zinc/06/11/94/1124061194.db2.gz VMGPOKJZHPCTLP-GJZGRUSLSA-N -1 0 348.487 3.913 20 0 EHADRM CC(C)(CC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1)C(F)(F)F ZINC000263553256 1124086117 /nfs/dbraw/zinc/08/61/17/1124086117.db2.gz XNTJOYOKXBZYMT-ZDUSSCGKSA-N -1 0 345.361 3.557 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CCC(=O)N=c2cc(-c3cccs3)[nH][nH]2)o1 ZINC000617365413 1124499610 /nfs/dbraw/zinc/49/96/10/1124499610.db2.gz NPDDZSNZGJUEPR-AAEUAGOBSA-N -1 0 341.436 3.848 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CCC(=O)N=c2cc(-c3cccs3)[nH][nH]2)o1 ZINC000617365415 1124499907 /nfs/dbraw/zinc/49/99/07/1124499907.db2.gz NPDDZSNZGJUEPR-WCQYABFASA-N -1 0 341.436 3.848 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)OCCC(C)C)cc1 ZINC000069283531 1124620086 /nfs/dbraw/zinc/62/00/86/1124620086.db2.gz XOLBSKVXRDWRTK-AWEZNQCLSA-N -1 0 341.473 3.736 20 0 EHADRM CCc1oc(C(=O)N[C@@H]2CCC[C@H]2c2ccccc2)cc1C(=O)[O-] ZINC000263578910 1124681843 /nfs/dbraw/zinc/68/18/43/1124681843.db2.gz TYSOJHRXCXOCJT-DZGCQCFKSA-N -1 0 327.380 3.606 20 0 EHADRM O=C([N-]c1nc(C2CC2)no1)c1cc(-c2cccc(Cl)c2)no1 ZINC000734879624 1131286081 /nfs/dbraw/zinc/28/60/81/1131286081.db2.gz PQQAUWYZEWAVQU-UHFFFAOYSA-N -1 0 330.731 3.508 20 0 EHADRM CCC/C=C\C(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000735217337 1131322808 /nfs/dbraw/zinc/32/28/08/1131322808.db2.gz YNILNPCWQVOUIN-YHYXMXQVSA-N -1 0 329.421 3.515 20 0 EHADRM CC(C)[C@H]1CCc2[n-]n(-c3ccc(Br)cn3)c(=O)c2C1 ZINC000634593680 1125133682 /nfs/dbraw/zinc/13/36/82/1125133682.db2.gz XHFACEPSTMFQRV-CMPLNLGQSA-N -1 0 336.233 3.619 20 0 EHADRM O=[N+]([O-])c1ccc([O-])c(/C=N/[C@H]2CCN(c3ccc(Cl)cc3)C2)c1 ZINC000182698783 1125355597 /nfs/dbraw/zinc/35/55/97/1125355597.db2.gz FNBCAFYKWKDMPX-FVOVHSBVSA-N -1 0 345.786 3.652 20 0 EHADRM CC1(c2cc([N-]S(=O)(=O)Cc3ccccc3F)no2)CCCC1 ZINC000572557526 1125360318 /nfs/dbraw/zinc/36/03/18/1125360318.db2.gz DWQUYMPCEAKKRI-UHFFFAOYSA-N -1 0 338.404 3.587 20 0 EHADRM Cc1ccc(Oc2ccccc2NC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])cc1 ZINC000262078038 1125403203 /nfs/dbraw/zinc/40/32/03/1125403203.db2.gz KLRJHGNKTFDONN-CABCVRRESA-N -1 0 325.364 3.837 20 0 EHADRM COc1ccccc1N=c1[n-]nc(S[C@H](C)c2ccncc2)s1 ZINC000619950301 1125442380 /nfs/dbraw/zinc/44/23/80/1125442380.db2.gz OBWWPESHGWBWBI-LLVKDONJSA-N -1 0 344.465 3.961 20 0 EHADRM Cc1ccc(C[C@H]2CCCN2C(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000478846844 1129283732 /nfs/dbraw/zinc/28/37/32/1129283732.db2.gz XCLQXYNDDBZERP-MRXNPFEDSA-N -1 0 341.382 3.680 20 0 EHADRM COC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2[O-])cc1Cl ZINC000735639510 1131367871 /nfs/dbraw/zinc/36/78/71/1131367871.db2.gz MFIOVDDPMMOVRA-UHFFFAOYSA-N -1 0 340.162 3.738 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)c1n[n-]c2ccccc2c1=O)C(C)C ZINC000735661788 1131371336 /nfs/dbraw/zinc/37/13/36/1131371336.db2.gz MOOVWDFFMYXCJR-KRWDZBQOSA-N -1 0 335.407 3.771 20 0 EHADRM O=S(=O)([N-]c1cccc2[nH]ccc21)c1ccc(F)c2ncccc12 ZINC000338876162 1129647190 /nfs/dbraw/zinc/64/71/90/1129647190.db2.gz PGAKQFYLBWGOQY-UHFFFAOYSA-N -1 0 341.367 3.656 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)cc1 ZINC000347742280 1129676226 /nfs/dbraw/zinc/67/62/26/1129676226.db2.gz SRHNEQRHCBVLFD-GJZGRUSLSA-N -1 0 329.783 3.709 20 0 EHADRM O=C([O-])c1ccc2nc(/C=C/c3cn(-c4ccccc4)nn3)ccc2c1 ZINC000766009285 1129729572 /nfs/dbraw/zinc/72/95/72/1129729572.db2.gz YXPWPIXIBDDELE-MDZDMXLPSA-N -1 0 342.358 3.684 20 0 EHADRM CCCOc1cc(CN=c2[n-]nc(CC(C)C)s2)ccc1OC ZINC000347791194 1129787113 /nfs/dbraw/zinc/78/71/13/1129787113.db2.gz FIYMFCCEKDDYTJ-UHFFFAOYSA-N -1 0 335.473 3.568 20 0 EHADRM COc1ccccc1[C@@H](CC(C)C)NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000673790208 1129846104 /nfs/dbraw/zinc/84/61/04/1129846104.db2.gz CGXUEEJPDMPBSU-HLLBOEOZSA-N -1 0 345.439 3.566 20 0 EHADRM CC(C)C1(C)CCN(C(=O)N=c2[n-]nc(-c3ccco3)s2)CC1 ZINC000429144457 1129860901 /nfs/dbraw/zinc/86/09/01/1129860901.db2.gz SOBRJTSVBCJFOK-UHFFFAOYSA-N -1 0 334.445 3.510 20 0 EHADRM CC(C)c1nc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)c[nH]1 ZINC000673883690 1129894669 /nfs/dbraw/zinc/89/46/69/1129894669.db2.gz RRNJRWHCXHKOGB-UHFFFAOYSA-N -1 0 334.228 3.641 20 0 EHADRM CSc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1Cl ZINC000673898838 1129896429 /nfs/dbraw/zinc/89/64/29/1129896429.db2.gz SGMKYCVBYUPBBQ-MNOVXSKESA-N -1 0 325.817 3.667 20 0 EHADRM CCc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000673922259 1129905960 /nfs/dbraw/zinc/90/59/60/1129905960.db2.gz HCGNLKZSJBQZRL-UHFFFAOYSA-N -1 0 343.333 3.671 20 0 EHADRM CC(C)OC(=O)c1cccc(Nc2ccc(C(=O)[O-])c(F)c2F)c1 ZINC001212514906 1129928972 /nfs/dbraw/zinc/92/89/72/1129928972.db2.gz MFJYOLJVSZIVDP-UHFFFAOYSA-N -1 0 335.306 3.972 20 0 EHADRM CN1c2cc(Nc3ccc(C(=O)[O-])c(F)c3F)ccc2C(C)(C)C1=O ZINC001212515520 1129929011 /nfs/dbraw/zinc/92/90/11/1129929011.db2.gz AHFBGYUWZRWGER-UHFFFAOYSA-N -1 0 346.333 3.661 20 0 EHADRM COC(Cc1ccc(Nc2ccc(C(=O)[O-])c(F)c2F)cc1)OC ZINC001212516881 1129929423 /nfs/dbraw/zinc/92/94/23/1129929423.db2.gz YOJIMMKOBZQPNN-UHFFFAOYSA-N -1 0 337.322 3.568 20 0 EHADRM COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1c(C)cc(C)cc1C ZINC000133256412 1129939964 /nfs/dbraw/zinc/93/99/64/1129939964.db2.gz SFWIDLOIRRDLDC-UHFFFAOYSA-N -1 0 347.436 3.508 20 0 EHADRM C[C@@H](Sc1ccccn1)C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000163653379 1129943913 /nfs/dbraw/zinc/94/39/13/1129943913.db2.gz LQCQEWHKVDKFSB-SECBINFHSA-N -1 0 331.422 3.631 20 0 EHADRM CC(=O)c1cc([N-]S(=O)(=O)c2cc(F)ccc2Cl)ccc1F ZINC000350519381 1129948658 /nfs/dbraw/zinc/94/86/58/1129948658.db2.gz YWBGGWMGKOINDA-UHFFFAOYSA-N -1 0 345.754 3.622 20 0 EHADRM O=C(N[C@H](c1ccccc1)C(F)(F)F)c1cc(F)c(F)c([O-])c1F ZINC000543540179 1129954560 /nfs/dbraw/zinc/95/45/60/1129954560.db2.gz VCECEWGLHWESIY-CYBMUJFWSA-N -1 0 349.230 3.843 20 0 EHADRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1nc(C(C)C)cs1 ZINC000509200021 1129961632 /nfs/dbraw/zinc/96/16/32/1129961632.db2.gz ZOTXHJCBJXFZFV-UHFFFAOYSA-N -1 0 340.470 3.693 20 0 EHADRM CCCCc1n[n-]c(=NCc2cn(-c3ccccc3)nc2C(C)C)o1 ZINC000347890601 1129988461 /nfs/dbraw/zinc/98/84/61/1129988461.db2.gz KEFGWOSPBHYJSY-UHFFFAOYSA-N -1 0 339.443 3.755 20 0 EHADRM Cc1ccc(-c2ncc(CN=c3[n-]nc(CCC(C)C)o3)s2)o1 ZINC000347892978 1129994013 /nfs/dbraw/zinc/99/40/13/1129994013.db2.gz JWIPNVBDLJHRDV-UHFFFAOYSA-N -1 0 332.429 3.717 20 0 EHADRM c1cc2cccc(CN=c3[n-]nc(CCCc4ccccc4)o3)c2[nH]1 ZINC000347893851 1130014257 /nfs/dbraw/zinc/01/42/57/1130014257.db2.gz MAOSUHTZOHNVRO-UHFFFAOYSA-N -1 0 332.407 3.760 20 0 EHADRM C[C@@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000171342193 1130047807 /nfs/dbraw/zinc/04/78/07/1130047807.db2.gz NNVXVMOUCKWZQD-ZDUSSCGKSA-N -1 0 345.468 3.534 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000674682021 1130171934 /nfs/dbraw/zinc/17/19/34/1130171934.db2.gz ABPBFQBFEPVMSP-UONOGXRCSA-N -1 0 341.329 3.787 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2ccccc2Cc2ccccc2)CCC1 ZINC000392707136 1130184849 /nfs/dbraw/zinc/18/48/49/1130184849.db2.gz SIWVWSJWDVVTAY-UHFFFAOYSA-N -1 0 338.407 3.654 20 0 EHADRM C[C@H](NC(=O)c1c([O-])cc(F)cc1F)c1cccc(N2CCCC2)c1 ZINC000674864969 1130211258 /nfs/dbraw/zinc/21/12/58/1130211258.db2.gz AGEYZDJWNIPZRI-LBPRGKRZSA-N -1 0 346.377 3.762 20 0 EHADRM CC(C)(CC(=O)Nc1ccc(COc2ccccc2)cc1)C(=O)[O-] ZINC000675000912 1130237756 /nfs/dbraw/zinc/23/77/56/1130237756.db2.gz PQZSANLYRSFLNR-UHFFFAOYSA-N -1 0 327.380 3.705 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccn([C@@H](C)c3ccccc3)n2)c1 ZINC000675284467 1130300177 /nfs/dbraw/zinc/30/01/77/1130300177.db2.gz CQCKVLVNSXIVIR-HNNXBMFYSA-N -1 0 341.436 3.602 20 0 EHADRM O=S(=O)([O-])c1c(Nc2cccc(O)c2F)ccc2ccccc21 ZINC001212551326 1130362741 /nfs/dbraw/zinc/36/27/41/1130362741.db2.gz LULDNYLPFZVDGX-UHFFFAOYSA-N -1 0 333.340 3.675 20 0 EHADRM Cc1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cccc1C(F)(F)F ZINC000675431450 1130368166 /nfs/dbraw/zinc/36/81/66/1130368166.db2.gz MZVGRCOJESUGSO-QWRGUYRKSA-N -1 0 327.302 3.619 20 0 EHADRM CCCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(OC)cc2)cc1 ZINC000675947219 1130508050 /nfs/dbraw/zinc/50/80/50/1130508050.db2.gz VXCMIMUFYXTOID-GOSISDBHSA-N -1 0 341.407 3.594 20 0 EHADRM O=C([O-])CCN(CC1CC1)C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000675972256 1130512247 /nfs/dbraw/zinc/51/22/47/1130512247.db2.gz SPLYSMSCQXXEAA-UHFFFAOYSA-N -1 0 337.419 3.609 20 0 EHADRM CC(C)C[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000727950484 1130612546 /nfs/dbraw/zinc/61/25/46/1130612546.db2.gz QKOLRIZFWOPZFI-AWEZNQCLSA-N -1 0 333.453 3.717 20 0 EHADRM CO[N-]C(=O)[C@@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000730522257 1130717564 /nfs/dbraw/zinc/71/75/64/1130717564.db2.gz HPZZGYREAWQPAL-AWEZNQCLSA-N -1 0 326.179 3.791 20 0 EHADRM C[C@H](Oc1nc[n-]c(=O)c1Cl)c1ccc(Br)cc1 ZINC001230014313 1130741632 /nfs/dbraw/zinc/74/16/32/1130741632.db2.gz KXQPZPIQTOXWGF-ZETCQYMHSA-N -1 0 329.581 3.738 20 0 EHADRM CC(C)c1nc2cc(NC(=O)c3n[n-]c4ccccc4c3=O)ccc2o1 ZINC000731869041 1130856925 /nfs/dbraw/zinc/85/69/25/1130856925.db2.gz JIQVBQILADUIIA-UHFFFAOYSA-N -1 0 348.362 3.852 20 0 EHADRM CCCN(Cc1ccc(F)cc1)C(=O)c1n[n-]c2ccccc2c1=O ZINC000732270070 1130908263 /nfs/dbraw/zinc/90/82/63/1130908263.db2.gz YVHWSCIJMZDYKQ-UHFFFAOYSA-N -1 0 339.370 3.527 20 0 EHADRM CCC(CC)CS(=O)(=O)[N-]C(=O)CCCCCc1cccs1 ZINC000733060899 1130990405 /nfs/dbraw/zinc/99/04/05/1130990405.db2.gz CUVWCMMKLBMBPM-UHFFFAOYSA-N -1 0 345.530 3.733 20 0 EHADRM CC(C)[C@H]1CN(C(=O)c2c([O-])cc(F)cc2F)c2ccccc2N1 ZINC000176698839 1131046181 /nfs/dbraw/zinc/04/61/81/1131046181.db2.gz SXJQLXPIRBTYAK-CQSZACIVSA-N -1 0 332.350 3.767 20 0 EHADRM CCC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000733676854 1131066453 /nfs/dbraw/zinc/06/64/53/1131066453.db2.gz ICRMUIJOHAHCDO-AWEZNQCLSA-N -1 0 341.448 3.627 20 0 EHADRM O=S(=O)([N-]c1ccccc1SCc1ccccc1)c1c[nH]cn1 ZINC000736540240 1131426197 /nfs/dbraw/zinc/42/61/97/1131426197.db2.gz WEPKHEKEZNKGQK-UHFFFAOYSA-N -1 0 345.449 3.503 20 0 EHADRM C[C@H]1COCCN1c1ccc(NC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000737730060 1131455128 /nfs/dbraw/zinc/45/51/28/1131455128.db2.gz LTJULMNNQQBNFV-LBPRGKRZSA-N -1 0 346.814 3.523 20 0 EHADRM O=C(Nc1ccc2c(c1)CCCC(=O)N2)c1c([O-])cccc1Cl ZINC000743336983 1131896025 /nfs/dbraw/zinc/89/60/25/1131896025.db2.gz LTHMLAWFTDPDHQ-UHFFFAOYSA-N -1 0 330.771 3.573 20 0 EHADRM CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000744014299 1132007444 /nfs/dbraw/zinc/00/74/44/1132007444.db2.gz RXEUOQRXZYJKKJ-AWEZNQCLSA-N -1 0 337.485 3.587 20 0 EHADRM COc1ccc(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)cc1 ZINC001173805195 1132152467 /nfs/dbraw/zinc/15/24/67/1132152467.db2.gz IJJYTUMAVMZOBE-UHFFFAOYSA-N -1 0 329.377 3.839 20 0 EHADRM CC(=O)NCc1ccc(Nc2c(Cl)c(F)[n-]c(=O)c2Cl)cc1 ZINC001174230487 1132292152 /nfs/dbraw/zinc/29/21/52/1132292152.db2.gz COXZSKURRYIQSI-UHFFFAOYSA-N -1 0 344.173 3.613 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2ccc3n[nH]cc3c2)c2ccccc21 ZINC001174273253 1132308903 /nfs/dbraw/zinc/30/89/03/1132308903.db2.gz RBHHDIUKHBIGQW-UHFFFAOYSA-N -1 0 339.376 3.706 20 0 EHADRM Cc1ccc(C=CS(=O)(=O)[N-]c2ccc(C)c3c[nH]nc32)cc1 ZINC000745834745 1132322954 /nfs/dbraw/zinc/32/29/54/1132322954.db2.gz ZVGRRTHTAJZPPC-KTKRTIGZSA-N -1 0 327.409 3.592 20 0 EHADRM CC(C)(C)c1cnn2cc(Nc3cccc(/C=C/C(=O)[O-])c3)cnc12 ZINC001174495677 1132372131 /nfs/dbraw/zinc/37/21/31/1132372131.db2.gz UXHWNFUKPLVIKP-BQYQJAHWSA-N -1 0 336.395 3.868 20 0 EHADRM CCOC(=O)c1ccc(F)c(Nc2cccc(/C=C/C(=O)[O-])c2)c1 ZINC001174496627 1132372151 /nfs/dbraw/zinc/37/21/51/1132372151.db2.gz QLGXJWRGIDPXLR-RMKNXTFCSA-N -1 0 329.327 3.844 20 0 EHADRM CCOc1ncccc1Nc1ccc2c(cccc2S(=O)(=O)[O-])c1 ZINC001174456834 1132375376 /nfs/dbraw/zinc/37/53/76/1132375376.db2.gz NZABBPKUGGZVTO-UHFFFAOYSA-N -1 0 344.392 3.624 20 0 EHADRM O=C(Nc1ccc(-n2cccn2)cc1)c1ccc2[n-]c(=S)oc2c1 ZINC000746121960 1132379917 /nfs/dbraw/zinc/37/99/17/1132379917.db2.gz KPWASBYUTMXZEX-UHFFFAOYSA-N -1 0 336.376 3.555 20 0 EHADRM CC(C)(C)Cc1cc(NC(=O)c2ccc3[n-]c(=S)oc3c2)n[nH]1 ZINC000746298420 1132401119 /nfs/dbraw/zinc/40/11/19/1132401119.db2.gz DCOYSHIGDRWSDL-UHFFFAOYSA-N -1 0 330.413 3.681 20 0 EHADRM Cc1cccc(O[C@H](C)CNC(=O)c2ccc3[n-]c(=S)oc3c2)c1 ZINC000746304108 1132402321 /nfs/dbraw/zinc/40/23/21/1132402321.db2.gz FJHJHAHFLYTIOC-GFCCVEGCSA-N -1 0 342.420 3.622 20 0 EHADRM O=C(NC1(c2nccs2)CCCC1)c1cc(F)c([O-])c(Cl)c1 ZINC000184414788 1132410236 /nfs/dbraw/zinc/41/02/36/1132410236.db2.gz VSTUVPCXDVHSSD-UHFFFAOYSA-N -1 0 340.807 3.841 20 0 EHADRM Cc1cc(O)ccc1Nc1ccc2ccccc2c1S(=O)(=O)[O-] ZINC001174565026 1132416215 /nfs/dbraw/zinc/41/62/15/1132416215.db2.gz VAOOAGSSEFQPNU-UHFFFAOYSA-N -1 0 329.377 3.844 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc2c(c1)NC(=O)CC2(C)C ZINC001174676034 1132433097 /nfs/dbraw/zinc/43/30/97/1132433097.db2.gz CIUOQMWFDQMXHP-UHFFFAOYSA-N -1 0 340.379 3.757 20 0 EHADRM CCOC(=O)c1c(C)csc1Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001174681219 1132435139 /nfs/dbraw/zinc/43/51/39/1132435139.db2.gz ONGXGBQMLJHMOL-UHFFFAOYSA-N -1 0 335.381 3.684 20 0 EHADRM COC(=O)c1cc(Cl)ccc1Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001174685534 1132435587 /nfs/dbraw/zinc/43/55/87/1132435587.db2.gz RMSZZEUUTOWNBD-UHFFFAOYSA-N -1 0 335.743 3.577 20 0 EHADRM COc1cc(Nc2c(C)cnn2-c2cccc(C)c2)ccc1C(=O)[O-] ZINC001174684191 1132435618 /nfs/dbraw/zinc/43/56/18/1132435618.db2.gz ZNSRVIKUGJZFQR-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM COC(=O)c1cc(Nc2ccc(C(=O)[O-])c(OC)c2)c(C)cc1C ZINC001174685972 1132435710 /nfs/dbraw/zinc/43/57/10/1132435710.db2.gz FHSYVOGBDHSDRG-UHFFFAOYSA-N -1 0 329.352 3.540 20 0 EHADRM COc1cc(Nc2cc(C(F)(F)F)c(F)cc2N)ccc1C(=O)[O-] ZINC001174686377 1132436879 /nfs/dbraw/zinc/43/68/79/1132436879.db2.gz ACFDGOUXFSTHJS-UHFFFAOYSA-N -1 0 344.264 3.877 20 0 EHADRM COc1ccc(C(F)(F)F)cc1Nc1ccc(S(=O)(=O)[O-])cc1 ZINC001174778792 1132461924 /nfs/dbraw/zinc/46/19/24/1132461924.db2.gz KLFWAXMPJKTSPT-UHFFFAOYSA-N -1 0 347.314 3.704 20 0 EHADRM O=C(Nc1ccccc1[S-])c1ccc2nc(-c3ccccc3)nn2c1 ZINC001174785897 1132463375 /nfs/dbraw/zinc/46/33/75/1132463375.db2.gz OFKSQMUJGDCQCE-UHFFFAOYSA-N -1 0 346.415 3.937 20 0 EHADRM COc1ccccc1Cn1ncc(C)c1Nc1ccc(C(=O)[O-])s1 ZINC001174807771 1132479145 /nfs/dbraw/zinc/47/91/45/1132479145.db2.gz NYBVOUYVFZJYJJ-UHFFFAOYSA-N -1 0 343.408 3.752 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(C(=O)NCc3ccco3)cc2)s1 ZINC001174811161 1132480005 /nfs/dbraw/zinc/48/00/05/1132480005.db2.gz YAOPSORRSHHFLZ-UHFFFAOYSA-N -1 0 342.376 3.713 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)c1cc2ccc(C(C)C)cc2[nH]1 ZINC000746388464 1132506350 /nfs/dbraw/zinc/50/63/50/1132506350.db2.gz YQSWVAQZSXVGHF-UHFFFAOYSA-N -1 0 330.428 3.864 20 0 EHADRM Cc1cc(C)c(Nc2ccc(F)c(F)c2F)c(S(=O)(=O)[O-])c1 ZINC001174971231 1132508672 /nfs/dbraw/zinc/50/86/72/1132508672.db2.gz GGAKZXJWMXPCDF-UHFFFAOYSA-N -1 0 331.315 3.711 20 0 EHADRM CCc1cc(Br)ncc1Nc1ccc(CC(=O)[O-])cc1 ZINC001174949684 1132515231 /nfs/dbraw/zinc/51/52/31/1132515231.db2.gz KDVMDQYKDIXWGH-UHFFFAOYSA-N -1 0 335.201 3.777 20 0 EHADRM COc1ccc(Nc2ccc(CC(=O)[O-])cc2)cc1Br ZINC001174951699 1132516413 /nfs/dbraw/zinc/51/64/13/1132516413.db2.gz BMEJNAUHTMKZAO-UHFFFAOYSA-N -1 0 336.185 3.828 20 0 EHADRM Cc1cnn(Cc2ccccc2F)c1Nc1ccc(CC(=O)[O-])cc1 ZINC001174950968 1132516520 /nfs/dbraw/zinc/51/65/20/1132516520.db2.gz WPVAPHBDZTUJKW-UHFFFAOYSA-N -1 0 339.370 3.750 20 0 EHADRM COC(=O)c1cc(OC)c(Nc2ccc(CC(=O)[O-])cc2)cc1Cl ZINC001174955032 1132517818 /nfs/dbraw/zinc/51/78/18/1132517818.db2.gz YOMKNOCBJHYUOU-UHFFFAOYSA-N -1 0 349.770 3.506 20 0 EHADRM CCOc1cc(F)cc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)c1 ZINC001175005923 1132527587 /nfs/dbraw/zinc/52/75/87/1132527587.db2.gz REPNLFYQAUOEKR-UHFFFAOYSA-N -1 0 345.779 3.868 20 0 EHADRM CCOC(=O)c1cnn(C(C)(C)C)c1Nc1cc(C(=O)[O-])ccc1C ZINC001174982989 1132535266 /nfs/dbraw/zinc/53/52/66/1132535266.db2.gz AZZRFQBMIDGZTO-UHFFFAOYSA-N -1 0 345.399 3.565 20 0 EHADRM COc1cccc(-n2nc(C)cc2Nc2cc(C(=O)[O-])ccc2C)c1 ZINC001174984302 1132535305 /nfs/dbraw/zinc/53/53/05/1132535305.db2.gz YEPVHOCFFLKIJG-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM CCOc1ccc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)cc1F ZINC001175068817 1132540743 /nfs/dbraw/zinc/54/07/43/1132540743.db2.gz RLIIITFAXJPBFE-UHFFFAOYSA-N -1 0 345.779 3.868 20 0 EHADRM C[C@]([N-]C(=O)C(F)(F)c1ccccc1F)(C1CC1)C(F)(F)F ZINC000766483513 1132557524 /nfs/dbraw/zinc/55/75/24/1132557524.db2.gz MIHHGLNBOBFALD-LBPRGKRZSA-N -1 0 325.252 3.765 20 0 EHADRM Cc1c(C(=O)[O-])sc2ncnc(N3CCc4c(C)cccc4C3)c12 ZINC000738320432 1132557619 /nfs/dbraw/zinc/55/76/19/1132557619.db2.gz MJLVAORAAAJEGV-UHFFFAOYSA-N -1 0 339.420 3.569 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(OC[C@@H]3CCCO3)c(F)c2)cc1F ZINC001175157078 1132569648 /nfs/dbraw/zinc/56/96/48/1132569648.db2.gz CQRXQYAHOJHCNI-ZDUSSCGKSA-N -1 0 349.333 3.964 20 0 EHADRM COc1ccc(F)c(Nc2ccc(S(=O)(=O)[O-])cc2Cl)c1F ZINC001175121211 1132572543 /nfs/dbraw/zinc/57/25/43/1132572543.db2.gz MZKWSRFKQKOCOK-UHFFFAOYSA-N -1 0 349.742 3.617 20 0 EHADRM COCCOc1c(F)cc(Nc2ccc(C(=O)[O-])c(F)c2)cc1F ZINC001175161618 1132582054 /nfs/dbraw/zinc/58/20/54/1132582054.db2.gz JRONTHFUPRFXPH-UHFFFAOYSA-N -1 0 341.285 3.571 20 0 EHADRM Nc1ccc(Br)c(F)c1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175162306 1132585714 /nfs/dbraw/zinc/58/57/14/1132585714.db2.gz RVUUFEXIYRWTMX-UHFFFAOYSA-N -1 0 343.127 3.751 20 0 EHADRM CC1(C)COC(c2cccc(Nc3ccc(C(=O)[O-])c(F)c3)c2)=N1 ZINC001175161996 1132585900 /nfs/dbraw/zinc/58/59/00/1132585900.db2.gz QHCLPHBPVVBHIE-UHFFFAOYSA-N -1 0 328.343 3.823 20 0 EHADRM O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)[N-]Oc1ccccc1 ZINC000773470135 1132590308 /nfs/dbraw/zinc/59/03/08/1132590308.db2.gz ZKWOADNLTGDOHR-CQSZACIVSA-N -1 0 326.179 3.527 20 0 EHADRM COc1cc(OC)c(Nc2ccc(F)c(C(=O)[O-])c2)cc1Cl ZINC001175219204 1132597965 /nfs/dbraw/zinc/59/79/65/1132597965.db2.gz YXPUQMPPDLYIOR-UHFFFAOYSA-N -1 0 325.723 3.938 20 0 EHADRM CN(c1ccc(F)c(C(=O)[O-])c1)c1c(N)cccc1Br ZINC001175223483 1132600120 /nfs/dbraw/zinc/60/01/20/1132600120.db2.gz QCUAJEWXDHORMB-UHFFFAOYSA-N -1 0 339.164 3.637 20 0 EHADRM O=C(Nc1ccc(-n2ccc(=O)[nH]2)cc1)[C@H]1CCCC[C@@H]1C1CC1 ZINC001168921578 1132606548 /nfs/dbraw/zinc/60/65/48/1132606548.db2.gz DKELUNHNVKFFAX-SJORKVTESA-N -1 0 325.412 3.733 20 0 EHADRM COC(=O)c1c(C)scc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175316730 1132635926 /nfs/dbraw/zinc/63/59/26/1132635926.db2.gz ZCVLBQLWYUPDBO-UHFFFAOYSA-N -1 0 325.773 3.938 20 0 EHADRM COC(=O)Cc1cc(Nc2ccc(C(=O)[O-])c(Cl)c2)ccc1C ZINC001175321710 1132638273 /nfs/dbraw/zinc/63/82/73/1132638273.db2.gz XJTDKFDOURFNOE-UHFFFAOYSA-N -1 0 333.771 3.806 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(-c3cc(CO)on3)cc2)cc1Cl ZINC001175320191 1132638368 /nfs/dbraw/zinc/63/83/68/1132638368.db2.gz DGFNVQLKDSWVGR-UHFFFAOYSA-N -1 0 344.754 3.929 20 0 EHADRM Cn1nc(Br)c2cc(Nc3cccc(C(=O)[O-])c3)ccc21 ZINC001175330865 1132640976 /nfs/dbraw/zinc/64/09/76/1132640976.db2.gz GCYLHBCJUXPZIX-UHFFFAOYSA-N -1 0 346.184 3.778 20 0 EHADRM Nc1ccc(Br)c(F)c1Nc1cccc(C(=O)[O-])c1 ZINC001175334787 1132642018 /nfs/dbraw/zinc/64/20/18/1132642018.db2.gz KJFMWJCBEOTVLG-UHFFFAOYSA-N -1 0 325.137 3.612 20 0 EHADRM COC(=O)c1c(C)sc(C)c1NC(=O)c1ccc([O-])c(Cl)c1 ZINC001175373729 1132653275 /nfs/dbraw/zinc/65/32/75/1132653275.db2.gz FTTCGQOOUGORQN-UHFFFAOYSA-N -1 0 339.800 3.763 20 0 EHADRM COc1cc(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)ccc1F ZINC001175401118 1132660245 /nfs/dbraw/zinc/66/02/45/1132660245.db2.gz UNTKKKYNNJJOEQ-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM Cc1cc(CN2CCN(Cc3ccc(O)c(Cl)c3)CC2)cs1 ZINC001175491086 1132682036 /nfs/dbraw/zinc/68/20/36/1132682036.db2.gz JHEFSMWWIPXNAS-UHFFFAOYSA-N -1 0 336.888 3.733 20 0 EHADRM O=C(OCc1nnc(-c2ccccc2)s1)c1ccc([O-])c(Cl)c1 ZINC000766660669 1132721017 /nfs/dbraw/zinc/72/10/17/1132721017.db2.gz IMHGZVGWYSUNKN-UHFFFAOYSA-N -1 0 346.795 3.921 20 0 EHADRM CCOc1ccc(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)cn1 ZINC001175744211 1132751228 /nfs/dbraw/zinc/75/12/28/1132751228.db2.gz UWIUWPLZIRGQEI-UHFFFAOYSA-N -1 0 344.392 3.624 20 0 EHADRM Cc1c(-c2ccccc2)sc2ncnc(NCc3cc(=O)[n-]o3)c12 ZINC001169480949 1132764749 /nfs/dbraw/zinc/76/47/49/1132764749.db2.gz ANAPANQDHXWPTB-UHFFFAOYSA-N -1 0 338.392 3.972 20 0 EHADRM O=C([O-])c1cncc(Nc2ccccc2C(=O)Nc2ccccc2)c1 ZINC001175842058 1132772344 /nfs/dbraw/zinc/77/23/44/1132772344.db2.gz MFXVMADHFGRWRN-UHFFFAOYSA-N -1 0 333.347 3.776 20 0 EHADRM O=C([O-])c1cncc(Nc2cc(-c3ccccc3)nn2CC2CC2)c1 ZINC001175841274 1132772890 /nfs/dbraw/zinc/77/28/90/1132772890.db2.gz XGWRDLGAFUVHQZ-UHFFFAOYSA-N -1 0 334.379 3.797 20 0 EHADRM O=C([O-])c1cncc(Nc2ccc3cnccc3c2Br)c1 ZINC001175842862 1132773350 /nfs/dbraw/zinc/77/33/50/1132773350.db2.gz ROCKDJRTCICAGC-UHFFFAOYSA-N -1 0 344.168 3.834 20 0 EHADRM COc1ccc2cc(Br)ccc2c1NCc1cc(=O)[n-]o1 ZINC001169492042 1132776973 /nfs/dbraw/zinc/77/69/73/1132776973.db2.gz IOIQSRYRGBOEDK-UHFFFAOYSA-N -1 0 349.184 3.917 20 0 EHADRM O=S(=O)(c1ccccc1Nc1ccccc1[S-])N1CCCCC1 ZINC001176027223 1132823422 /nfs/dbraw/zinc/82/34/22/1132823422.db2.gz VRXUBAGNYWQNJM-UHFFFAOYSA-N -1 0 348.493 3.894 20 0 EHADRM Nc1ccc(Br)cc1Nc1ccc(C(=O)[O-])c(F)c1 ZINC000148489661 1132876084 /nfs/dbraw/zinc/87/60/84/1132876084.db2.gz BBAJWWCTAOKQKR-UHFFFAOYSA-N -1 0 325.137 3.612 20 0 EHADRM COc1ccc(Oc2ccc(Nc3cnn(CC(=O)[O-])c3)cc2)cc1 ZINC001176267189 1132897837 /nfs/dbraw/zinc/89/78/37/1132897837.db2.gz OLDBUVVTTFGIPR-UHFFFAOYSA-N -1 0 339.351 3.512 20 0 EHADRM COc1ccc2c(c1)NC(=O)C[C@H]2CNc1cc(F)ccc1[S-] ZINC001169923036 1132905100 /nfs/dbraw/zinc/90/51/00/1132905100.db2.gz CTCAASPRLCSROY-JTQLQIEISA-N -1 0 332.400 3.661 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)/C=C\c1cccc(F)c1)C(=O)[O-] ZINC000766899014 1132906523 /nfs/dbraw/zinc/90/65/23/1132906523.db2.gz NLDPAWNYTJBDDZ-WOLCWHLNSA-N -1 0 341.382 3.588 20 0 EHADRM CCOC(=O)c1sc2ncccc2c1Nc1csc(C(=O)[O-])c1 ZINC001176434703 1132927815 /nfs/dbraw/zinc/92/78/15/1132927815.db2.gz ACWQDPCEVCWHNO-UHFFFAOYSA-N -1 0 348.405 3.976 20 0 EHADRM CN(C(=O)OC(C)(C)C)c1ccc(Nc2csc(C(=O)[O-])c2)cn1 ZINC001176434754 1132927913 /nfs/dbraw/zinc/92/79/13/1132927913.db2.gz BYKXRQFQIUGITM-UHFFFAOYSA-N -1 0 349.412 3.956 20 0 EHADRM Cc1cc(N)c(Nc2csc(C(=O)[O-])c2)c(Br)c1 ZINC001176439008 1132929193 /nfs/dbraw/zinc/92/91/93/1132929193.db2.gz KDDIKXOMFGITPC-UHFFFAOYSA-N -1 0 327.203 3.843 20 0 EHADRM CCOC(=O)c1cc(F)c(F)cc1Nc1csc(C(=O)[O-])c1 ZINC001176440374 1132929906 /nfs/dbraw/zinc/92/99/06/1132929906.db2.gz MBEDNMUKRCAQJK-UHFFFAOYSA-N -1 0 327.308 3.645 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)Cc2c[nH]c3cc(F)ccc23)cc1 ZINC000767087799 1132947058 /nfs/dbraw/zinc/94/70/58/1132947058.db2.gz GAYNHHUHYVDUPQ-BAQGIRSFSA-N -1 0 338.338 3.586 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)c2ccccc2OCC2CC2)cc1 ZINC000767091517 1132947496 /nfs/dbraw/zinc/94/74/96/1132947496.db2.gz MJRUBWNMGJHVRK-XFXZXTDPSA-N -1 0 337.375 3.826 20 0 EHADRM COCCCN(c1ccc(C2(C(=O)[O-])CC2)cc1)c1ccccc1N ZINC001176589093 1132962422 /nfs/dbraw/zinc/96/24/22/1132962422.db2.gz TYIPOIXXHRFDRA-UHFFFAOYSA-N -1 0 340.423 3.560 20 0 EHADRM COc1ccc(NC(C)=O)c(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1 ZINC001176590941 1132962568 /nfs/dbraw/zinc/96/25/68/1132962568.db2.gz ZTRKUAWCOXSVKT-UHFFFAOYSA-N -1 0 340.379 3.513 20 0 EHADRM Cc1cc(Nc2ccc(/C=C/C(=O)[O-])cc2)n(C(=O)OC(C)(C)C)n1 ZINC001176591769 1132963130 /nfs/dbraw/zinc/96/31/30/1132963130.db2.gz PMEOPMLPLMGVAB-JXMROGBWSA-N -1 0 343.383 3.816 20 0 EHADRM CCOC(=O)c1nc(C2CC2)oc1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176594100 1132963280 /nfs/dbraw/zinc/96/32/80/1132963280.db2.gz PDDHDHMRZXBIHB-BJMVGYQFSA-N -1 0 342.351 3.570 20 0 EHADRM COc1ccc(-c2cc(Nc3ccc(/C=C/C(=O)[O-])cc3)n(C)n2)cc1 ZINC001176592153 1132963316 /nfs/dbraw/zinc/96/33/16/1132963316.db2.gz VHCRUQVFYVMMMZ-LFYBBSHMSA-N -1 0 349.390 3.937 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2cc(O)cc(Cl)c2)c(Cl)c1 ZINC001176625166 1132973801 /nfs/dbraw/zinc/97/38/01/1132973801.db2.gz YNROBUBBENZIBY-UHFFFAOYSA-N -1 0 334.180 3.689 20 0 EHADRM CC1(C)Cc2cc(Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2C(=O)N1 ZINC001176597575 1132976386 /nfs/dbraw/zinc/97/63/86/1132976386.db2.gz LQCPVOCXVSEGIE-BJMVGYQFSA-N -1 0 336.391 3.593 20 0 EHADRM O=C([O-])c1ccc(Nc2cnc(Br)c(Cl)c2)cc1 ZINC001176709741 1132994386 /nfs/dbraw/zinc/99/43/86/1132994386.db2.gz MMIBJNYVADJZDV-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)CCC1CCCCC1 ZINC000767561132 1133015466 /nfs/dbraw/zinc/01/54/66/1133015466.db2.gz KUZUKYFEKNPXDQ-UHFFFAOYSA-N -1 0 343.876 3.814 20 0 EHADRM CC[C@H](C)[C@H]([N-]S(=O)(=O)/C=C\c1ccc(C)cc1)C(F)(F)F ZINC000767603477 1133024847 /nfs/dbraw/zinc/02/48/47/1133024847.db2.gz HONPLUCBXRIWMV-OPLMWYLZSA-N -1 0 335.391 3.862 20 0 EHADRM O=C(CSCc1cccc(Cl)c1)[N-]Oc1ccccc1F ZINC001177105002 1133031959 /nfs/dbraw/zinc/03/19/59/1133031959.db2.gz GQGQHJYUKWQWSJ-UHFFFAOYSA-N -1 0 325.792 3.823 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)sc2c1)[C@@H]1Cc2ccccc2O1 ZINC001178942165 1133215329 /nfs/dbraw/zinc/21/53/29/1133215329.db2.gz SKPMFPBZLWQBFD-ZDUSSCGKSA-N -1 0 328.418 3.527 20 0 EHADRM CN(C)c1ccc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)cc1F ZINC000769248024 1133250292 /nfs/dbraw/zinc/25/02/92/1133250292.db2.gz DIASQNDXCOANOV-UHFFFAOYSA-N -1 0 331.372 3.574 20 0 EHADRM C[C@@H](NC(=O)CC1CCC(c2ccccc2)CC1)c1nn(C)cc1[O-] ZINC001179921269 1133308251 /nfs/dbraw/zinc/30/82/51/1133308251.db2.gz QJKZREXJHMNDQN-HPUBIQBYSA-N -1 0 341.455 3.667 20 0 EHADRM O=C(Nc1ccc(Oc2cccnc2)nc1)c1c([O-])cccc1Cl ZINC000770141072 1133392783 /nfs/dbraw/zinc/39/27/83/1133392783.db2.gz KGCBVWCCRZASMI-UHFFFAOYSA-N -1 0 341.754 3.880 20 0 EHADRM CSc1ccc([O-])c(C(=O)N=[S@](C)(=O)c2cccc(F)c2)c1 ZINC001180567582 1133393132 /nfs/dbraw/zinc/39/31/32/1133393132.db2.gz IZWRXDDDGYPZEV-JOCHJYFZSA-N -1 0 339.413 3.550 20 0 EHADRM O=C([N-]OCCOc1ccccc1)C1(c2c(F)cccc2F)CCC1 ZINC001180648041 1133402895 /nfs/dbraw/zinc/40/28/95/1133402895.db2.gz BQAKZGMXJOMDSS-UHFFFAOYSA-N -1 0 347.361 3.513 20 0 EHADRM O=C(Nc1cncc(C(F)(F)F)c1)c1ncc2ccccc2c1[O-] ZINC001181194594 1133465438 /nfs/dbraw/zinc/46/54/38/1133465438.db2.gz YAJDUXFBVGLMHT-UHFFFAOYSA-N -1 0 333.269 3.607 20 0 EHADRM CCN(Cc1nc2c(s1)C[C@@H](C)CC2)C(=O)c1c([O-])cccc1F ZINC001181211897 1133469497 /nfs/dbraw/zinc/46/94/97/1133469497.db2.gz FBDNSQSENGCZTF-NSHDSACASA-N -1 0 348.443 3.775 20 0 EHADRM Cn1cnc2c1ccc1c2CCCN1C(=O)c1c([O-])cccc1Cl ZINC001181222912 1133471699 /nfs/dbraw/zinc/47/16/99/1133471699.db2.gz IYWPWYWOWVVMCW-UHFFFAOYSA-N -1 0 341.798 3.525 20 0 EHADRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(SC(F)F)nc1 ZINC000771136212 1133516708 /nfs/dbraw/zinc/51/67/08/1133516708.db2.gz PKOHDEJRIQJPDR-UHFFFAOYSA-N -1 0 348.371 3.645 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(SC(F)F)nc2)ccc1F ZINC000771136680 1133516714 /nfs/dbraw/zinc/51/67/14/1133516714.db2.gz UMSOSPOYEYAKIE-UHFFFAOYSA-N -1 0 348.371 3.645 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)[C@H]2CCCC2(C)C)c1C ZINC000773942808 1133521517 /nfs/dbraw/zinc/52/15/17/1133521517.db2.gz GPOXNPQRUKZFDX-OAHLLOKOSA-N -1 0 337.485 3.551 20 0 EHADRM COc1ccc(C(F)(F)C(=O)Nc2cc(F)cc(Cl)c2[O-])cc1 ZINC000771506905 1133568375 /nfs/dbraw/zinc/56/83/75/1133568375.db2.gz YEOGXSRJYKOHET-UHFFFAOYSA-N -1 0 345.704 3.924 20 0 EHADRM Cc1noc(C(F)(F)F)c1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000771515014 1133568972 /nfs/dbraw/zinc/56/89/72/1133568972.db2.gz XYBAEOPUXLVJRJ-UHFFFAOYSA-N -1 0 338.644 3.752 20 0 EHADRM CCC[C@H](NC(=O)N[C@@](C)(CCC)C(=O)[O-])c1ccc(F)cc1F ZINC000780660534 1133642114 /nfs/dbraw/zinc/64/21/14/1133642114.db2.gz TUJQAWFYTLHARH-YOEHRIQHSA-N -1 0 342.386 3.749 20 0 EHADRM O=C(CN(Cc1ccco1)c1ccccc1)[N-]OCc1ccccc1 ZINC000772200237 1133660613 /nfs/dbraw/zinc/66/06/13/1133660613.db2.gz LCJBIMGUSXXPTL-UHFFFAOYSA-N -1 0 336.391 3.534 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C1=CCCCCC1 ZINC000774410625 1133673544 /nfs/dbraw/zinc/67/35/44/1133673544.db2.gz LQVOGTDHGYQLCS-UHFFFAOYSA-N -1 0 348.251 3.689 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)C[C@H](C)Cc1ccc(Cl)cc1 ZINC000772664841 1133710312 /nfs/dbraw/zinc/71/03/12/1133710312.db2.gz WHERKJWKNXQSJR-GFCCVEGCSA-N -1 0 345.892 3.543 20 0 EHADRM Cc1cn(-c2ccc(NC(=O)Cc3ccc([S-])cc3)cc2F)cn1 ZINC001183189259 1133777041 /nfs/dbraw/zinc/77/70/41/1133777041.db2.gz PSOSDOHBKVVQPV-UHFFFAOYSA-N -1 0 341.411 3.790 20 0 EHADRM O=C(Cc1cccc(-c2ccccc2)c1)Nc1n[nH]c(C(F)(F)F)n1 ZINC001184519704 1133948120 /nfs/dbraw/zinc/94/81/20/1133948120.db2.gz VCIOBSXSBVDCQS-UHFFFAOYSA-N -1 0 346.312 3.672 20 0 EHADRM Cc1cccc(Cl)c1NC(=O)Nc1cccc(S(=O)(=O)[O-])c1 ZINC001184534590 1133950022 /nfs/dbraw/zinc/95/00/22/1133950022.db2.gz WJAIZEJNLQTFSE-UHFFFAOYSA-N -1 0 340.788 3.539 20 0 EHADRM O=S(=O)([N-]c1ccc(F)c(C2CC2)c1)c1cccnc1Cl ZINC001184884843 1133996379 /nfs/dbraw/zinc/99/63/79/1133996379.db2.gz NBVTUCDWASLNSW-UHFFFAOYSA-N -1 0 326.780 3.552 20 0 EHADRM Cc1cccc(C2(CC(=O)Nc3cc(=O)[n-]c(Cl)n3)CCC2)c1 ZINC001185079201 1134032941 /nfs/dbraw/zinc/03/29/41/1134032941.db2.gz GFPAOTGHTQAZJM-UHFFFAOYSA-N -1 0 331.803 3.595 20 0 EHADRM Cc1ccc([C@@H]([N-]S(=O)(=O)c2ccsc2)C(F)(F)F)cc1 ZINC001185400036 1134079048 /nfs/dbraw/zinc/07/90/48/1134079048.db2.gz UXCSWPFTONBMIX-GFCCVEGCSA-N -1 0 335.372 3.638 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)C(F)(F)F)s1 ZINC000788090474 1134079087 /nfs/dbraw/zinc/07/90/87/1134079087.db2.gz MXLZVPPIIUYQPI-UHFFFAOYSA-N -1 0 349.355 3.602 20 0 EHADRM CCN(C)c1ccc([N-]S(=O)(=O)c2cc3ccccc3s2)cn1 ZINC001185429748 1134084784 /nfs/dbraw/zinc/08/47/84/1134084784.db2.gz RCLRGHAUDQMGIK-UHFFFAOYSA-N -1 0 347.465 3.553 20 0 EHADRM Cc1cnn(C2CCC2)c1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185432394 1134085639 /nfs/dbraw/zinc/08/56/39/1134085639.db2.gz AZWGFXJXAGBDON-UHFFFAOYSA-N -1 0 347.465 3.932 20 0 EHADRM O=S(=O)([N-][C@H](C1CCC1)C(F)(F)F)c1cc2ccccc2s1 ZINC001185473056 1134094746 /nfs/dbraw/zinc/09/47/46/1134094746.db2.gz AQXXLQJHUIRWKZ-CYBMUJFWSA-N -1 0 349.399 3.911 20 0 EHADRM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1nc(C(F)(F)F)c[nH]1 ZINC000788210631 1134095367 /nfs/dbraw/zinc/09/53/67/1134095367.db2.gz AMINIWFISXUMRA-UHFFFAOYSA-N -1 0 347.362 3.527 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cnc(Cl)c(C)c2)ccc1Cl ZINC001185494579 1134098537 /nfs/dbraw/zinc/09/85/37/1134098537.db2.gz KYFIFSKOGPSXBF-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM COc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1 ZINC001185525112 1134103051 /nfs/dbraw/zinc/10/30/51/1134103051.db2.gz QOVZWPMHCIXNHT-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000788314499 1134112839 /nfs/dbraw/zinc/11/28/39/1134112839.db2.gz DXRQISRKPWMROB-LBPRGKRZSA-N -1 0 333.215 3.956 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(C2CCCCC2)no1 ZINC001185795668 1134133913 /nfs/dbraw/zinc/13/39/13/1134133913.db2.gz OFBIJRVCTIUKKH-UHFFFAOYSA-N -1 0 338.404 3.971 20 0 EHADRM COC(=O)C[C@@H](C)N(Cc1ccccc1)C(=O)c1cccc([S-])c1 ZINC001186149693 1134175314 /nfs/dbraw/zinc/17/53/14/1134175314.db2.gz SCMMVGKUICMDAG-CQSZACIVSA-N -1 0 343.448 3.569 20 0 EHADRM COc1ccccc1O[C@H]1CCCN(C(=O)c2cccc([S-])c2)C1 ZINC001186150055 1134175782 /nfs/dbraw/zinc/17/57/82/1134175782.db2.gz YOOLETBVUKEPJC-HNNXBMFYSA-N -1 0 343.448 3.668 20 0 EHADRM O=C(Nc1cc(OC(F)(F)F)ccc1O)c1cccc([S-])c1 ZINC001186152139 1134176554 /nfs/dbraw/zinc/17/65/54/1134176554.db2.gz CKVRIZZJYKNCLR-UHFFFAOYSA-N -1 0 329.299 3.832 20 0 EHADRM CCN(C)c1ccc([N-]S(=O)(=O)c2csc3ccccc32)cn1 ZINC001186464410 1134225974 /nfs/dbraw/zinc/22/59/74/1134225974.db2.gz SOEOJDZSAQFZGV-UHFFFAOYSA-N -1 0 347.465 3.553 20 0 EHADRM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1Cl)c1ccco1 ZINC001186806176 1134254915 /nfs/dbraw/zinc/25/49/15/1134254915.db2.gz KNCMXOHUJITABD-UHFFFAOYSA-N -1 0 325.695 3.753 20 0 EHADRM O=C(N[C@H](c1ccccc1)C1CCCC1)c1ccccc1-c1nn[nH]n1 ZINC001187008756 1134281599 /nfs/dbraw/zinc/28/15/99/1134281599.db2.gz QJFZNYAOAZPBHN-GOSISDBHSA-N -1 0 347.422 3.528 20 0 EHADRM O=S(=O)([N-]c1ccc2ocnc2c1)c1cc2c(s1)CCCC2 ZINC001187206837 1134314101 /nfs/dbraw/zinc/31/41/01/1134314101.db2.gz MACFVTZGZWFDFQ-UHFFFAOYSA-N -1 0 334.422 3.569 20 0 EHADRM CCOc1cccc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)c1 ZINC001187209397 1134314851 /nfs/dbraw/zinc/31/48/51/1134314851.db2.gz LTHJQBDDWJHZHK-UHFFFAOYSA-N -1 0 337.466 3.826 20 0 EHADRM CCOC(=O)c1ccc(NC(=O)Nc2ccc([S-])c(OC)c2)cc1 ZINC001187284995 1134320067 /nfs/dbraw/zinc/32/00/67/1134320067.db2.gz NBEQLDVZENNVMT-UHFFFAOYSA-N -1 0 346.408 3.805 20 0 EHADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1ccc(C2CCC2)cc1 ZINC000790066919 1134362392 /nfs/dbraw/zinc/36/23/92/1134362392.db2.gz IPFJHQLVOKZKIP-AWEZNQCLSA-N -1 0 342.361 3.596 20 0 EHADRM CC(=O)c1sc(C(C)(C)C)cc1[N-]S(=O)(=O)c1nccs1 ZINC001187859020 1134391364 /nfs/dbraw/zinc/39/13/64/1134391364.db2.gz YTSVNAXTGNROJN-UHFFFAOYSA-N -1 0 344.483 3.506 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2nccs2)c(-c2ccccc2)c1 ZINC001187898998 1134393479 /nfs/dbraw/zinc/39/34/79/1134393479.db2.gz DUABOODSTAZILK-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM CC(C)c1cccnc1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC001187942506 1134403248 /nfs/dbraw/zinc/40/32/48/1134403248.db2.gz KXRIAKZXOIPWTA-UHFFFAOYSA-N -1 0 346.239 3.708 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2nccc3ccncc32)c1C ZINC000790642841 1134450756 /nfs/dbraw/zinc/45/07/56/1134450756.db2.gz CKWFSGOXNDIBNB-UHFFFAOYSA-N -1 0 341.436 3.664 20 0 EHADRM Cc1cc(C)c([N-]S(=O)(=O)c2ccoc2)c(C)c1Br ZINC001188610046 1134482438 /nfs/dbraw/zinc/48/24/38/1134482438.db2.gz GJQHUUSKCPLSFK-UHFFFAOYSA-N -1 0 344.230 3.768 20 0 EHADRM Cc1ccc(CNC(=O)c2ccc([O-])c(C(F)(F)F)c2)c(F)c1F ZINC001188588562 1134485587 /nfs/dbraw/zinc/48/55/87/1134485587.db2.gz SHPRRBPDAPJADS-UHFFFAOYSA-N -1 0 345.267 3.928 20 0 EHADRM O=C(c1ccncc1[O-])N1CCC(Cc2c(F)cccc2Cl)CC1 ZINC001188629202 1134490592 /nfs/dbraw/zinc/49/05/92/1134490592.db2.gz COAUBLQVHYNSDR-UHFFFAOYSA-N -1 0 348.805 3.675 20 0 EHADRM O=C(NC[C@H]1CCC2(CCCCC2)O1)c1ccc2[n-]c(=S)oc2c1 ZINC000791181793 1134517077 /nfs/dbraw/zinc/51/70/77/1134517077.db2.gz RQUSNZMNPXYLOO-CYBMUJFWSA-N -1 0 346.452 3.728 20 0 EHADRM CC(=O)c1cccc(S(=O)(=O)[N-]c2c(C)ccnc2C(C)C)c1 ZINC001189202618 1134552256 /nfs/dbraw/zinc/55/22/56/1134552256.db2.gz ODDROFNRFOZHTA-UHFFFAOYSA-N -1 0 332.425 3.517 20 0 EHADRM CC(C)(C)c1cc(C(=O)Nc2c(Cl)ccc([O-])c2Cl)n[nH]1 ZINC001189248240 1134557190 /nfs/dbraw/zinc/55/71/90/1134557190.db2.gz XAUPHXNQJUESGX-UHFFFAOYSA-N -1 0 328.199 3.972 20 0 EHADRM O=S(=O)([N-]c1cccc2c1OCO2)c1ccc(F)c2ccccc21 ZINC001189346990 1134567064 /nfs/dbraw/zinc/56/70/64/1134567064.db2.gz FBJHUEIRPWWJBD-UHFFFAOYSA-N -1 0 345.351 3.508 20 0 EHADRM COc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)c2ccccc21 ZINC001189384884 1134577794 /nfs/dbraw/zinc/57/77/94/1134577794.db2.gz FTDRDGYLKOOKIV-UHFFFAOYSA-N -1 0 349.358 3.927 20 0 EHADRM O=S(=O)([N-]c1nc2c(s1)CCC2)c1ccc(F)c2ccccc21 ZINC001189355399 1134580090 /nfs/dbraw/zinc/58/00/90/1134580090.db2.gz GAKZHMINKBBXCH-UHFFFAOYSA-N -1 0 348.424 3.725 20 0 EHADRM O=S(=O)(Cc1cccc(F)c1F)[N-]c1nc2ccccc2s1 ZINC001189408554 1134583472 /nfs/dbraw/zinc/58/34/72/1134583472.db2.gz LIBVBOVYZZEOMT-UHFFFAOYSA-N -1 0 340.376 3.516 20 0 EHADRM COc1c(Cl)cccc1[N-]S(=O)(=O)Cc1cc(F)ccc1F ZINC001189644039 1134604830 /nfs/dbraw/zinc/60/48/30/1134604830.db2.gz NYKPLHUWDIIZHW-UHFFFAOYSA-N -1 0 347.770 3.569 20 0 EHADRM C[C@@H]1CCCN(c2cc(C(=O)Nc3ccccc3[S-])ccn2)C1 ZINC001189629456 1134608285 /nfs/dbraw/zinc/60/82/85/1134608285.db2.gz HJPXNKMJYWNFMP-CYBMUJFWSA-N -1 0 327.453 3.859 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)c2oc3ccccc3c2C)sc1C ZINC000775291088 1134614453 /nfs/dbraw/zinc/61/44/53/1134614453.db2.gz OQIRNSRCDBIMHX-UHFFFAOYSA-N -1 0 349.433 3.538 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)c2sccc2C(C)C)sc1C ZINC000775290653 1134615301 /nfs/dbraw/zinc/61/53/01/1134615301.db2.gz XJFHWUYTVKNBJV-UHFFFAOYSA-N -1 0 343.495 3.669 20 0 EHADRM CC(C)(C)c1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2)c1O ZINC000775295619 1134616730 /nfs/dbraw/zinc/61/67/30/1134616730.db2.gz LYAGMFPIONEIHM-UHFFFAOYSA-N -1 0 340.832 3.539 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)CCCCCC(C)C)sc1C ZINC000775297405 1134620067 /nfs/dbraw/zinc/62/00/67/1134620067.db2.gz RTRJHWROQGGRRS-UHFFFAOYSA-N -1 0 331.503 3.776 20 0 EHADRM O=C(Nc1c(Cl)ccc([O-])c1Cl)c1ccccc1-n1nccn1 ZINC001190353200 1134687283 /nfs/dbraw/zinc/68/72/83/1134687283.db2.gz VLSHEDRKXRKUFQ-UHFFFAOYSA-N -1 0 349.177 3.532 20 0 EHADRM COc1cc(C)c([N-]S(=O)(=O)c2cc(F)cc(F)c2F)cc1C ZINC001190395159 1134690047 /nfs/dbraw/zinc/69/00/47/1134690047.db2.gz FECUZLKILYEWLG-UHFFFAOYSA-N -1 0 345.342 3.530 20 0 EHADRM COC(=O)[C@H](CCc1ccccc1)Nc1ccc2oc(=S)[n-]c2c1 ZINC001170174680 1134697078 /nfs/dbraw/zinc/69/70/78/1134697078.db2.gz GHYGDKDOLCYMBV-AWEZNQCLSA-N -1 0 342.420 3.703 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccnn2CC2CC2)cc1 ZINC001190423901 1134698126 /nfs/dbraw/zinc/69/81/26/1134698126.db2.gz PXFDFXRBZQMFOB-UHFFFAOYSA-N -1 0 347.484 3.782 20 0 EHADRM COc1nc(C)ccc1C(=O)Nc1cc(Cl)c(C)c(Cl)c1[O-] ZINC001190809209 1134747984 /nfs/dbraw/zinc/74/79/84/1134747984.db2.gz AWMBFXOWCXQXQQ-UHFFFAOYSA-N -1 0 341.194 3.972 20 0 EHADRM CC(C)(C)C(=O)N1CCC(CNc2ccc3oc(=S)[n-]c3c2)CC1 ZINC001170351331 1134760304 /nfs/dbraw/zinc/76/03/04/1134760304.db2.gz ZXKASBQJTFGKNA-UHFFFAOYSA-N -1 0 347.484 3.813 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2ncccc2OCC)cc1 ZINC001191224603 1134829855 /nfs/dbraw/zinc/82/98/55/1134829855.db2.gz IEHVVIXQCWVGGV-UHFFFAOYSA-N -1 0 334.441 3.624 20 0 EHADRM O=S(=O)(CC1CCCC1)[N-]c1cc(-c2ccc(Cl)s2)on1 ZINC001191494028 1134873238 /nfs/dbraw/zinc/87/32/38/1134873238.db2.gz PUIWEZMOSPUMGO-UHFFFAOYSA-N -1 0 346.861 3.988 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cnc(Cl)cc1C ZINC001191787966 1134922508 /nfs/dbraw/zinc/92/25/08/1134922508.db2.gz XONXHERNSCQWEK-UHFFFAOYSA-N -1 0 340.832 3.551 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(F)c(F)c(F)c1 ZINC001191821103 1134930488 /nfs/dbraw/zinc/93/04/88/1134930488.db2.gz KKIYLKJVJZKQCY-UHFFFAOYSA-N -1 0 345.342 3.612 20 0 EHADRM CCOc1ccc(C)cc1[N-]S(=O)(=O)c1cc(C)ccc1OCC ZINC001191822236 1134930671 /nfs/dbraw/zinc/93/06/71/1134930671.db2.gz WJDXMACMTUUIAS-UHFFFAOYSA-N -1 0 349.452 3.902 20 0 EHADRM O=S(=O)([N-]c1cccc2cc(O)ccc21)C(Cl)(Cl)Cl ZINC001192035366 1134959365 /nfs/dbraw/zinc/95/93/65/1134959365.db2.gz RCANTGKYTHXTND-UHFFFAOYSA-N -1 0 340.615 3.615 20 0 EHADRM Cc1ccc2c(c1)CC[C@H](C(=O)Nc1ccc3[n-]c(=S)oc3c1)O2 ZINC000793668144 1134979178 /nfs/dbraw/zinc/97/91/78/1134979178.db2.gz WEOUUPNNPBYDHL-OAHLLOKOSA-N -1 0 340.404 3.757 20 0 EHADRM C[C@@H]1CCCC[C@@H]1OCC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000747149086 1134996876 /nfs/dbraw/zinc/99/68/76/1134996876.db2.gz FTPDPYIMMCYVSA-DOMZBBRYSA-N -1 0 345.361 3.849 20 0 EHADRM CC(C)(C)c1ccc(C(=O)Nc2cc3n(n2)CC(C)(C)CO3)c(O)c1 ZINC001192313320 1134997208 /nfs/dbraw/zinc/99/72/08/1134997208.db2.gz AHYPFUBKZHZPTK-UHFFFAOYSA-N -1 0 343.427 3.557 20 0 EHADRM Cc1ccnc(C(C)C)c1[N-]S(=O)(=O)c1cnc(Cl)cc1C ZINC001192322093 1134998451 /nfs/dbraw/zinc/99/84/51/1134998451.db2.gz LVBMXMLDKLXURH-UHFFFAOYSA-N -1 0 339.848 3.671 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(Br)cc2CO)c(F)c1 ZINC001203293342 1135016813 /nfs/dbraw/zinc/01/68/13/1135016813.db2.gz YZUARFXWPPZCLI-UHFFFAOYSA-N -1 0 340.148 3.522 20 0 EHADRM CSCCO[N-]C(=O)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000794194818 1135025703 /nfs/dbraw/zinc/02/57/03/1135025703.db2.gz XPAUZVNQYAIRHU-UHFFFAOYSA-N -1 0 334.268 3.826 20 0 EHADRM CSCCO[N-]C(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl ZINC000794189521 1135026122 /nfs/dbraw/zinc/02/61/22/1135026122.db2.gz CAHBAZCWTPREAX-MRVPVSSYSA-N -1 0 340.297 3.885 20 0 EHADRM Cc1cccc(NC(=O)c2c(F)ccc(F)c2[O-])c1Br ZINC001192705971 1135050063 /nfs/dbraw/zinc/05/00/63/1135050063.db2.gz HLBBEWNFSIVFDT-UHFFFAOYSA-N -1 0 342.139 3.994 20 0 EHADRM CC(C)(CNC(=O)c1c(F)ccc(F)c1[O-])c1c[nH]c2ccccc21 ZINC001192718602 1135051274 /nfs/dbraw/zinc/05/12/74/1135051274.db2.gz CZGRTZOVXGSJBJ-UHFFFAOYSA-N -1 0 344.361 3.859 20 0 EHADRM O=C(Nc1cccc(C(F)(F)F)c1O)c1c([O-])ccc(F)c1F ZINC001192768944 1135052811 /nfs/dbraw/zinc/05/28/11/1135052811.db2.gz GWUOYPOBDHBFKA-UHFFFAOYSA-N -1 0 333.212 3.647 20 0 EHADRM CCC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(CC)ccc1OC ZINC001192818145 1135058827 /nfs/dbraw/zinc/05/88/27/1135058827.db2.gz LLWLFSLBFONVQL-UHFFFAOYSA-N -1 0 347.436 3.651 20 0 EHADRM Cc1cccc(NC(=O)c2ccc([O-])c(F)c2F)c1Br ZINC001192839085 1135062624 /nfs/dbraw/zinc/06/26/24/1135062624.db2.gz CCHUWRNJPCQYPX-UHFFFAOYSA-N -1 0 342.139 3.994 20 0 EHADRM COc1ccc(C2=CCN(C(=O)c3ccc([O-])c(F)c3F)CC2)cc1 ZINC001192839448 1135063131 /nfs/dbraw/zinc/06/31/31/1135063131.db2.gz HBLPDDGJHUCOML-UHFFFAOYSA-N -1 0 345.345 3.609 20 0 EHADRM O=C(Nc1cccc(C(F)(F)F)c1O)c1ccc([O-])c(F)c1F ZINC001192841040 1135064336 /nfs/dbraw/zinc/06/43/36/1135064336.db2.gz DYDIJANSLAVXCS-UHFFFAOYSA-N -1 0 333.212 3.647 20 0 EHADRM Cc1cc2ccccc2cc1[N-]S(=O)(=O)c1cnccc1Cl ZINC001192901036 1135070329 /nfs/dbraw/zinc/07/03/29/1135070329.db2.gz XPALEEYXRQHJPQ-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM O=C(Nc1ccc(Cl)c2nsnc21)c1cc(F)c([O-])cc1F ZINC001192879246 1135074035 /nfs/dbraw/zinc/07/40/35/1135074035.db2.gz CFYBEBIUHFDCSW-UHFFFAOYSA-N -1 0 341.726 3.581 20 0 EHADRM Cc1ccc(CN(C)C(=O)c2cc(Cl)nc(Cl)c2[O-])cc1C ZINC001193088465 1135098686 /nfs/dbraw/zinc/09/86/86/1135098686.db2.gz AWJFPHLUSMUXSX-UHFFFAOYSA-N -1 0 339.222 3.983 20 0 EHADRM O=S(=O)(CC1CCC1)[N-]c1cc(-c2ccccc2Cl)no1 ZINC001193470907 1135140645 /nfs/dbraw/zinc/14/06/45/1135140645.db2.gz BKNGAFYVUJNUAM-UHFFFAOYSA-N -1 0 326.805 3.537 20 0 EHADRM O=C(Nc1cc(OC(F)(F)F)ccc1O)c1ccc(F)c([O-])c1F ZINC001193789686 1135181273 /nfs/dbraw/zinc/18/12/73/1135181273.db2.gz VLAOWVWEPKULNJ-UHFFFAOYSA-N -1 0 349.211 3.527 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cn(C(C)C)cn2)c2ccccc12 ZINC001193834667 1135191123 /nfs/dbraw/zinc/19/11/23/1135191123.db2.gz SXHZGOGGHSLOJN-UHFFFAOYSA-N -1 0 329.425 3.726 20 0 EHADRM CCC(CC)(C[N-]S(=O)(=O)c1cc(F)ccc1F)C(F)(F)F ZINC001193877945 1135192330 /nfs/dbraw/zinc/19/23/30/1135192330.db2.gz MLPKQVJHRXZOCB-UHFFFAOYSA-N -1 0 345.333 3.612 20 0 EHADRM O=C(Nc1c(Cl)ccc([O-])c1Cl)c1cccc(-n2cncn2)c1 ZINC001193890675 1135193326 /nfs/dbraw/zinc/19/33/26/1135193326.db2.gz JITQPZJAVGMDQX-UHFFFAOYSA-N -1 0 349.177 3.532 20 0 EHADRM CC(C)c1ccc(NC(=O)c2cc(=O)n(C)[n-]2)c(C(F)(F)F)c1 ZINC001194202569 1135242782 /nfs/dbraw/zinc/24/27/82/1135242782.db2.gz MUPVLJUHNBWXCK-UHFFFAOYSA-N -1 0 327.306 3.520 20 0 EHADRM O=S(=O)([N-]c1ccc(F)nc1)c1ccc2c(Cl)cccc2c1 ZINC001194217639 1135246079 /nfs/dbraw/zinc/24/60/79/1135246079.db2.gz RHLGOTZQCPTTSQ-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)NC1(c2cccc(C)c2)CC1 ZINC001194278857 1135247575 /nfs/dbraw/zinc/24/75/75/1135247575.db2.gz MEXUKPFJDLWIGN-UHFFFAOYSA-N -1 0 347.418 3.614 20 0 EHADRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)N(C)Cc1ccc(C)c(C)c1 ZINC001194271318 1135253573 /nfs/dbraw/zinc/25/35/73/1135253573.db2.gz YRYDERBNWHTZOO-UHFFFAOYSA-N -1 0 349.434 3.775 20 0 EHADRM CC[S@@](=O)c1ccccc1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000805259923 1135254693 /nfs/dbraw/zinc/25/46/93/1135254693.db2.gz NJLIHFBRSORCGW-JOCHJYFZSA-N -1 0 341.791 3.565 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cccn1Cc1ccncc1 ZINC000805261990 1135254753 /nfs/dbraw/zinc/25/47/53/1135254753.db2.gz SQCMWGAQQZGJDM-UHFFFAOYSA-N -1 0 345.761 3.682 20 0 EHADRM Cc1cc(O)cnc1[N-]S(=O)(=O)c1cccc2c(Cl)cccc21 ZINC001194403900 1135264972 /nfs/dbraw/zinc/26/49/72/1135264972.db2.gz QPXNMPKDHMYHRO-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM O=S(=O)([N-]c1ncc(F)s1)c1cccc2c(Cl)cccc21 ZINC001194403306 1135265315 /nfs/dbraw/zinc/26/53/15/1135265315.db2.gz IMTSXLNNLOPGNC-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM CCCC[C@@H](CC)CNS(=O)(=O)c1ncccc1C(F)(F)F ZINC001194587263 1135289103 /nfs/dbraw/zinc/28/91/03/1135289103.db2.gz ZDPNKDPDICJKNI-LLVKDONJSA-N -1 0 338.395 3.595 20 0 EHADRM O=C([N-]Cc1cc(Br)c2ccccc2c1)C(F)(F)F ZINC001194642611 1135296287 /nfs/dbraw/zinc/29/62/87/1135296287.db2.gz MQAUGAOAACQSGQ-UHFFFAOYSA-N -1 0 332.119 3.781 20 0 EHADRM CO[C@@H]1CCOc2c([N-]S(=O)(=O)c3c(C)cccc3C)cccc21 ZINC001194643684 1135296397 /nfs/dbraw/zinc/29/63/97/1135296397.db2.gz LPKQZKOPRBFUJZ-MRXNPFEDSA-N -1 0 347.436 3.574 20 0 EHADRM CCC(CC)COC(=O)Nc1c(C)cc(C)cc1S(=O)(=O)[O-] ZINC001194708781 1135310885 /nfs/dbraw/zinc/31/08/85/1135310885.db2.gz JHUNWYKACXZJJJ-UHFFFAOYSA-N -1 0 329.418 3.535 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(C)C)n2)c(C)c1C ZINC001194836476 1135328941 /nfs/dbraw/zinc/32/89/41/1135328941.db2.gz BIESIZJQADXBDX-UHFFFAOYSA-N -1 0 348.468 3.940 20 0 EHADRM COc1ccc(C)cc1[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC001195268653 1135402410 /nfs/dbraw/zinc/40/24/10/1135402410.db2.gz XMYYHJDRHLYLMX-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2c(C)cccc2Cl)n(C(C)C)n1 ZINC001195276566 1135403835 /nfs/dbraw/zinc/40/38/35/1135403835.db2.gz NKFSYBBTWCDWGJ-UHFFFAOYSA-N -1 0 327.837 3.535 20 0 EHADRM O=C(Nc1nc(C2CC2)cs1)c1c([O-])c(F)c(F)c(F)c1F ZINC001195277159 1135404422 /nfs/dbraw/zinc/40/44/22/1135404422.db2.gz CQOCQAPWJSXVBV-UHFFFAOYSA-N -1 0 332.278 3.535 20 0 EHADRM COc1ccc(/C=C\c2ncc(/C=C\C(=O)[O-])s2)c(C)c1OC ZINC000806573533 1135463899 /nfs/dbraw/zinc/46/38/99/1135463899.db2.gz LWWZHHKYRGVZBP-VVRUXRSYSA-N -1 0 331.393 3.737 20 0 EHADRM CC(C)(C)NC(=O)c1ccccc1NC(=O)c1cccc(Cl)c1[O-] ZINC000775670568 1135469006 /nfs/dbraw/zinc/46/90/06/1135469006.db2.gz MQKGFLCTPWIBJG-UHFFFAOYSA-N -1 0 346.814 3.826 20 0 EHADRM CC(=O)Nc1cc(NC(=O)c2cccc(Cl)c2[O-])ccc1Cl ZINC000775671596 1135473464 /nfs/dbraw/zinc/47/34/64/1135473464.db2.gz JAWBFLREPWLKLC-UHFFFAOYSA-N -1 0 339.178 3.910 20 0 EHADRM C[C@H]1CN(C(=O)c2cccc(Cl)c2[O-])C[C@H](c2ccccc2)O1 ZINC000775673258 1135474971 /nfs/dbraw/zinc/47/49/71/1135474971.db2.gz XVCLHNGNHFVUHV-BLLLJJGKSA-N -1 0 331.799 3.648 20 0 EHADRM O=S(=O)([N-]c1ccc(F)c(OC(F)(F)F)c1)c1cccs1 ZINC001250922846 1135484152 /nfs/dbraw/zinc/48/41/52/1135484152.db2.gz GTYPKSMHXIYIGM-UHFFFAOYSA-N -1 0 341.307 3.587 20 0 EHADRM CCN(CC)C(=O)c1ccccc1NC(=O)c1cccc(Cl)c1[O-] ZINC000775673737 1135485188 /nfs/dbraw/zinc/48/51/88/1135485188.db2.gz YIZOZMYZQJOCBR-UHFFFAOYSA-N -1 0 346.814 3.780 20 0 EHADRM O=C(c1cccc(F)c1[O-])N1CCCC[C@H]1Cc1ccccc1F ZINC001130818852 1135514688 /nfs/dbraw/zinc/51/46/88/1135514688.db2.gz WDFMMTQTEJHBGH-AWEZNQCLSA-N -1 0 331.362 3.908 20 0 EHADRM COc1ccc([C@@H]2CCN(C(=O)c3cccc(Cl)c3[O-])C2)cc1 ZINC000775689475 1135529078 /nfs/dbraw/zinc/52/90/78/1135529078.db2.gz JRBJOWFKCCVMFH-CYBMUJFWSA-N -1 0 331.799 3.684 20 0 EHADRM O=C(Nc1c(Cl)ccc([O-])c1Cl)c1cc(=O)[nH]c(Cl)c1 ZINC001196182565 1135529218 /nfs/dbraw/zinc/52/92/18/1135529218.db2.gz PFDDRCAORUIBHZ-UHFFFAOYSA-N -1 0 333.558 3.705 20 0 EHADRM Cc1ccc2cccc([N-]S(=O)(=O)c3ccc(Cl)cn3)c2c1 ZINC001196245784 1135541094 /nfs/dbraw/zinc/54/10/94/1135541094.db2.gz SQKJRNGOERALBK-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM O=C([N-]c1c(Cl)cnnc1Cl)c1snc(Cl)c1Cl ZINC001196333212 1135547179 /nfs/dbraw/zinc/54/71/79/1135547179.db2.gz AJOOMQZCNMNNDM-UHFFFAOYSA-N -1 0 344.010 3.799 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc3c(s2)CCCC3)c(F)c1 ZINC001196354515 1135551229 /nfs/dbraw/zinc/55/12/29/1135551229.db2.gz SAOWNEWXEHTQAK-UHFFFAOYSA-N -1 0 325.430 3.875 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc3ncc(F)cc23)c(F)c1 ZINC001196387119 1135553627 /nfs/dbraw/zinc/55/36/27/1135553627.db2.gz KTCIITPCXOYQQH-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM Cc1cnc(C)c([N-]S(=O)(=O)c2ccc3cc(Cl)ccc3c2)n1 ZINC001196413162 1135560261 /nfs/dbraw/zinc/56/02/61/1135560261.db2.gz YKLICDKCZVHFSB-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM Cc1ncc([N-]S(=O)(=O)c2ccc3cc(Cl)ccc3c2)c(C)n1 ZINC001196417022 1135560993 /nfs/dbraw/zinc/56/09/93/1135560993.db2.gz RQBAYMTYQZIWHF-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM CC1(c2ccc(NC(=O)c3cc(Cl)c(F)cc3[O-])cc2)COC1 ZINC001196465999 1135563952 /nfs/dbraw/zinc/56/39/52/1135563952.db2.gz FEDWMWWGMRHWBB-UHFFFAOYSA-N -1 0 335.762 3.725 20 0 EHADRM O=C(Nc1ccccc1-n1cccn1)c1cc(Cl)c(F)cc1[O-] ZINC001196466785 1135564242 /nfs/dbraw/zinc/56/42/42/1135564242.db2.gz KRSPFYRTXPWFSY-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM CC(=O)c1c(F)cccc1NC(=O)c1cc(Cl)c(F)cc1[O-] ZINC001196466490 1135564315 /nfs/dbraw/zinc/56/43/15/1135564315.db2.gz IGMXJLFLTZPLSX-UHFFFAOYSA-N -1 0 325.698 3.779 20 0 EHADRM O=C(N[C@H](c1ccnc(F)c1)C1CC1)c1cc(Cl)c(F)cc1[O-] ZINC001196477757 1135565791 /nfs/dbraw/zinc/56/57/91/1135565791.db2.gz GIXIFYQNOZCSSQ-HNNXBMFYSA-N -1 0 338.741 3.600 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2C)c1C ZINC000808102232 1135618293 /nfs/dbraw/zinc/61/82/93/1135618293.db2.gz BOBKCDRBHPVTMJ-UHFFFAOYSA-N -1 0 342.873 3.875 20 0 EHADRM CC(C)(C)c1nc(C(=O)Nc2c(Cl)ccc([O-])c2Cl)no1 ZINC001196989334 1135637983 /nfs/dbraw/zinc/63/79/83/1135637983.db2.gz RWXRUAQQHZVZBV-UHFFFAOYSA-N -1 0 330.171 3.632 20 0 EHADRM Cc1ccc(CNC(=S)Nc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC001197129827 1135647964 /nfs/dbraw/zinc/64/79/64/1135647964.db2.gz IVYLIFVTKIORKB-UHFFFAOYSA-N -1 0 334.828 3.833 20 0 EHADRM Cc1ccc2c(c1)CC[C@@H]2NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197129851 1135648009 /nfs/dbraw/zinc/64/80/09/1135648009.db2.gz JMTOLPPXWPDELV-INIZCTEOSA-N -1 0 326.421 3.667 20 0 EHADRM CCc1ccc(CN(C)C(=S)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001197103525 1135650050 /nfs/dbraw/zinc/65/00/50/1135650050.db2.gz NIXLCOOTHNUFHR-UHFFFAOYSA-N -1 0 328.437 3.776 20 0 EHADRM [O-]c1cc(F)cnc1NC(=S)Nc1ccccc1C(F)(F)F ZINC001197232346 1135658705 /nfs/dbraw/zinc/65/87/05/1135658705.db2.gz OFZGGKDJSOIJOB-UHFFFAOYSA-N -1 0 331.294 3.754 20 0 EHADRM COCc1nc2cc(NC(=O)c3cccc(Cl)c3[O-])ccc2o1 ZINC000775772645 1135689974 /nfs/dbraw/zinc/68/99/74/1135689974.db2.gz VIPWYUQMFBCJPK-UHFFFAOYSA-N -1 0 332.743 3.586 20 0 EHADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC001197556707 1135705740 /nfs/dbraw/zinc/70/57/40/1135705740.db2.gz RZFDNBULEDUANG-UHFFFAOYSA-N -1 0 347.770 3.569 20 0 EHADRM O=S(=O)(Cc1ccc(Cl)c(F)c1)Nc1ccc([S-])cc1 ZINC001197672550 1135719815 /nfs/dbraw/zinc/71/98/15/1135719815.db2.gz IWEFUWBSWGGMSS-UHFFFAOYSA-N -1 0 331.821 3.710 20 0 EHADRM O=C(NOCc1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1[O-] ZINC000775781489 1135722770 /nfs/dbraw/zinc/72/27/70/1135722770.db2.gz MLSCLWOPFZJBAE-UHFFFAOYSA-N -1 0 345.704 3.926 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(C)c2)c1 ZINC001198008872 1135761039 /nfs/dbraw/zinc/76/10/39/1135761039.db2.gz DQRWFULXBBYMPP-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM CC(C)Oc1nccnc1C(=O)Nc1c(Cl)ccc([O-])c1Cl ZINC001198056902 1135766406 /nfs/dbraw/zinc/76/64/06/1135766406.db2.gz ALHMUTZPGLVKRX-UHFFFAOYSA-N -1 0 342.182 3.529 20 0 EHADRM O=S(=O)([N-]c1csc2ccccc12)c1ccc2nccnc2c1 ZINC001198112772 1135776975 /nfs/dbraw/zinc/77/69/75/1135776975.db2.gz ZSCISZQGRRNUJM-UHFFFAOYSA-N -1 0 341.417 3.645 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cc1Cl)c1cccc(Cl)n1 ZINC001198235338 1135789706 /nfs/dbraw/zinc/78/97/06/1135789706.db2.gz ZHJLXEREMIFXMF-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccccc3)c2)cn1 ZINC001198315229 1135799436 /nfs/dbraw/zinc/79/94/36/1135799436.db2.gz SDNAVPHAWVRUCG-UHFFFAOYSA-N -1 0 340.404 3.983 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(C)nc2)c(C(F)(F)F)c1 ZINC001198317528 1135799701 /nfs/dbraw/zinc/79/97/01/1135799701.db2.gz LIIGRNYCSMUJSF-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(O)cc3)c2)cn1 ZINC001198320911 1135799834 /nfs/dbraw/zinc/79/98/34/1135799834.db2.gz GMDUVKKEUZBHIH-UHFFFAOYSA-N -1 0 340.404 3.563 20 0 EHADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)c1nc([C@@H]2CCC[C@@H](C)C2)no1 ZINC000809343711 1135821849 /nfs/dbraw/zinc/82/18/49/1135821849.db2.gz HVZZDAWLTQENPP-MXWKQRLJSA-N -1 0 333.354 3.739 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2c(O)ccc3ccccc32)c(C)c1 ZINC001198942004 1135867984 /nfs/dbraw/zinc/86/79/84/1135867984.db2.gz PIARUYKNFXKIHG-UHFFFAOYSA-N -1 0 343.404 3.663 20 0 EHADRM O=C(NC[C@@H]1COc2ccccc2C1)c1ccc2ccccc2c1O ZINC000747579934 1135900643 /nfs/dbraw/zinc/90/06/43/1135900643.db2.gz DIPGQVGAZVMQSS-CQSZACIVSA-N -1 0 333.387 3.527 20 0 EHADRM O=C(Nc1c(Cl)ccc([O-])c1Cl)c1cnccc1OC(F)F ZINC001199379887 1135901981 /nfs/dbraw/zinc/90/19/81/1135901981.db2.gz MFBUKGCGESRCDD-UHFFFAOYSA-N -1 0 349.120 3.948 20 0 EHADRM CCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000776070512 1135947862 /nfs/dbraw/zinc/94/78/62/1135947862.db2.gz VMBZQPGTNZEWCB-OAHLLOKOSA-N -1 0 325.474 3.715 20 0 EHADRM CCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1 ZINC000776089863 1135951691 /nfs/dbraw/zinc/95/16/91/1135951691.db2.gz FZCWKOVGUYNLLU-LSDHHAIUSA-N -1 0 325.474 3.800 20 0 EHADRM S=C(Nc1ccc(-n2cccn2)cc1)Nc1ccccc1[S-] ZINC001200885881 1135963561 /nfs/dbraw/zinc/96/35/61/1135963561.db2.gz VGMFFRVVPXIWGO-UHFFFAOYSA-N -1 0 326.450 3.970 20 0 EHADRM C[S@](=O)c1cccc(NCc2cccc(O)c2Br)c1 ZINC001201265296 1136002110 /nfs/dbraw/zinc/00/21/10/1136002110.db2.gz SZJSFAOZFFUMPQ-IBGZPJMESA-N -1 0 340.242 3.504 20 0 EHADRM C[C@H]1CCC[C@H]1NS(=O)(=O)c1cc(Cl)c(Cl)cc1F ZINC001201277086 1136002932 /nfs/dbraw/zinc/00/29/32/1136002932.db2.gz CIJJYVFGNDZRRC-WRWORJQWSA-N -1 0 326.220 3.599 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cccc(Oc3ccccc3C)c2)on1 ZINC001201571358 1136042379 /nfs/dbraw/zinc/04/23/79/1136042379.db2.gz NSZRFBUBQLLFSZ-UHFFFAOYSA-N -1 0 344.392 3.885 20 0 EHADRM C[C@@H](NC(=O)c1c([O-])cc(Cl)cc1Cl)[C@@H](O)c1ccccc1 ZINC000811538721 1136105155 /nfs/dbraw/zinc/10/51/55/1136105155.db2.gz SIHCNJZWJMNCRC-RFAUZJTJSA-N -1 0 340.206 3.551 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)NCCSCc2ccccc2)c1 ZINC000811814527 1136144485 /nfs/dbraw/zinc/14/44/85/1136144485.db2.gz YHOZSMTZRDUJEC-UHFFFAOYSA-N -1 0 349.839 3.701 20 0 EHADRM CN(C(=O)c1cc(C(=O)[O-])ccc1Cl)[C@H]1CCc2ccccc21 ZINC000811814821 1136144570 /nfs/dbraw/zinc/14/45/70/1136144570.db2.gz VLIFEAXXYGPTNL-INIZCTEOSA-N -1 0 329.783 3.798 20 0 EHADRM O=C(NC(=O)c1ccccc1)Nc1ccc(Cl)c(Cl)c1[O-] ZINC001202456961 1136146085 /nfs/dbraw/zinc/14/60/85/1136146085.db2.gz QLXCWISTTIWJHQ-UHFFFAOYSA-N -1 0 325.151 3.661 20 0 EHADRM CO[N-]C(=O)[C@H](Sc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000106737352 1136152062 /nfs/dbraw/zinc/15/20/62/1136152062.db2.gz CBUNUPMKPKAKQV-CQSZACIVSA-N -1 0 325.792 3.990 20 0 EHADRM CON(Cc1ccccc1Cl)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000812427424 1136207215 /nfs/dbraw/zinc/20/72/15/1136207215.db2.gz XRHRWSKGROKKKH-UHFFFAOYSA-N -1 0 348.811 3.974 20 0 EHADRM O=C(COc1ccc(C2SCCCS2)cc1)[N-]OC1CCC1 ZINC000812791020 1136248101 /nfs/dbraw/zinc/24/81/01/1136248101.db2.gz GNJOTKXVQQGKNK-UHFFFAOYSA-N -1 0 339.482 3.534 20 0 EHADRM Cc1cc(=O)c(COC(=O)Cc2ccc(C3CCCCC3)cc2)n[n-]1 ZINC000850957650 1136323009 /nfs/dbraw/zinc/32/30/09/1136323009.db2.gz QXMTZIKFUYEDAY-UHFFFAOYSA-N -1 0 340.423 3.824 20 0 EHADRM CCCC[C@@](C)(F)C(=O)[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000850973506 1136324395 /nfs/dbraw/zinc/32/43/95/1136324395.db2.gz VTBBFTCRCCPSIT-QGZVFWFLSA-N -1 0 337.416 3.563 20 0 EHADRM CCCN(C)C(=O)N[C@@H](CCC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000776516856 1136338862 /nfs/dbraw/zinc/33/88/62/1136338862.db2.gz XPABWBJQZPJFSW-ZDUSSCGKSA-N -1 0 347.242 3.951 20 0 EHADRM CCOC(=O)c1[n-]c(NC(=O)CC=Cc2ccc(C)cc2)nc1Cl ZINC001133885443 1136354837 /nfs/dbraw/zinc/35/48/37/1136354837.db2.gz LQJIABNRMCZNET-PLNGDYQASA-N -1 0 347.802 3.590 20 0 EHADRM CCC[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000851247052 1136357257 /nfs/dbraw/zinc/35/72/57/1136357257.db2.gz CNHWVIWPEFUXSN-CQSZACIVSA-N -1 0 337.441 3.700 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000776525114 1136363741 /nfs/dbraw/zinc/36/37/41/1136363741.db2.gz IJITXTNFFBEPOC-RHSMWYFYSA-N -1 0 343.448 3.595 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(Cl)cc1 ZINC000814017895 1136386581 /nfs/dbraw/zinc/38/65/81/1136386581.db2.gz FNOXYOPXOYUBDF-HNNXBMFYSA-N -1 0 337.828 3.551 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H](C)CC1CCCC1 ZINC000814017564 1136386708 /nfs/dbraw/zinc/38/67/08/1136386708.db2.gz ZLJAWUBLBSQBOT-RHSMWYFYSA-N -1 0 337.485 3.800 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@@H]1CCCC[C@H]1C ZINC000814016400 1136386854 /nfs/dbraw/zinc/38/68/54/1136386854.db2.gz PAAVVSISQBPJRA-HYVNUMGLSA-N -1 0 337.485 3.800 20 0 EHADRM CC(C)(C)c1ccc(CNC(=O)c2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC000851596286 1136395341 /nfs/dbraw/zinc/39/53/41/1136395341.db2.gz TYOSYZSFWPDSIF-PKNBQFBNSA-N -1 0 327.380 3.605 20 0 EHADRM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000851598006 1136395452 /nfs/dbraw/zinc/39/54/52/1136395452.db2.gz IDLJWONXKVRBKD-IKTMDDPPSA-N -1 0 331.412 3.708 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)COc1ccc(Cl)c2ccccc12 ZINC000776629423 1136491456 /nfs/dbraw/zinc/49/14/56/1136491456.db2.gz JXKJWQLJQYACEM-GOSISDBHSA-N -1 0 349.814 3.632 20 0 EHADRM CC(C)(C)c1ccc(OCCCC(=O)N[C@H](CC(=O)[O-])C2CC2)cc1 ZINC000776630410 1136491932 /nfs/dbraw/zinc/49/19/32/1136491932.db2.gz VJYOYNHEHXBBOD-QGZVFWFLSA-N -1 0 347.455 3.513 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1cccc(C2SCCS2)c1 ZINC000852947229 1136493861 /nfs/dbraw/zinc/49/38/61/1136493861.db2.gz HBFAVIFXYJWNBH-LBPRGKRZSA-N -1 0 339.482 3.851 20 0 EHADRM CC(C)(C(=O)[N-]OCc1ccc(Br)cc1)c1ccccc1 ZINC000111041209 1136504167 /nfs/dbraw/zinc/50/41/67/1136504167.db2.gz WGXXWEXIUDKMTJ-UHFFFAOYSA-N -1 0 348.240 3.975 20 0 EHADRM CC[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1F)C(C)C ZINC000776653552 1136523666 /nfs/dbraw/zinc/52/36/66/1136523666.db2.gz HLGYJXZTTLOSNS-NHYWBVRUSA-N -1 0 327.371 3.669 20 0 EHADRM CCCN(C)C(=O)N(C)[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000776716306 1136594933 /nfs/dbraw/zinc/59/49/33/1136594933.db2.gz FBAFVIYGOLKRML-LBPRGKRZSA-N -1 0 333.215 3.513 20 0 EHADRM CC[C@H](C)CO[N-]C(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000815712441 1136631876 /nfs/dbraw/zinc/63/18/76/1136631876.db2.gz QUPUWIHJDDKJCD-AWEZNQCLSA-N -1 0 342.395 3.511 20 0 EHADRM CC[C@H](C)CO[N-]C(=O)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000815714158 1136632260 /nfs/dbraw/zinc/63/22/60/1136632260.db2.gz NUFLASTUUXRRSL-AWEZNQCLSA-N -1 0 342.395 3.511 20 0 EHADRM Cc1cc(C=CC(=O)Nc2c(C)[nH][nH]c2=O)c(C)n1C1CCCCC1 ZINC000854635742 1136633099 /nfs/dbraw/zinc/63/30/99/1136633099.db2.gz WSNIKVLTHBGZBS-MDZDMXLPSA-N -1 0 342.443 3.999 20 0 EHADRM CC[C@H](CNC(=O)c1ccc2oc(=S)[n-]c2c1)CC(F)(F)F ZINC000854937872 1136655097 /nfs/dbraw/zinc/65/50/97/1136655097.db2.gz VHBHJSIPAYMLHP-QMMMGPOBSA-N -1 0 332.347 3.825 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H](C)C1CCCC1 ZINC000816111635 1136677533 /nfs/dbraw/zinc/67/75/33/1136677533.db2.gz CLDCZSVFWFFYCV-YOEHRIQHSA-N -1 0 337.485 3.656 20 0 EHADRM Cc1ccc(CNC(=O)c2cc(Br)cc(F)c2[O-])cc1 ZINC001135558587 1136711814 /nfs/dbraw/zinc/71/18/14/1136711814.db2.gz QRBCWKGICZREDF-UHFFFAOYSA-N -1 0 338.176 3.532 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N[C@@H](C)c2ccccc2)n1 ZINC001135608673 1136728620 /nfs/dbraw/zinc/72/86/20/1136728620.db2.gz AEYDBXHDUPOSSL-AWEZNQCLSA-N -1 0 335.407 3.631 20 0 EHADRM Oc1ccc(F)c(CN2CCC[C@@H]2C[C@@H](O)c2cccs2)c1F ZINC000816520558 1136733291 /nfs/dbraw/zinc/73/32/91/1136733291.db2.gz RYHCHROIMIAHET-IAQYHMDHSA-N -1 0 339.407 3.820 20 0 EHADRM Cc1ccc(CC2CN(C(=O)c3ccc4[n-]c(=S)oc4c3)C2)cc1 ZINC000855864458 1136738209 /nfs/dbraw/zinc/73/82/09/1136738209.db2.gz NYTQHQSHJBLVDG-UHFFFAOYSA-N -1 0 338.432 3.740 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC([C@H]2CCCCO2)CC1 ZINC000855948670 1136743478 /nfs/dbraw/zinc/74/34/78/1136743478.db2.gz QIAISJNZROAPKB-OAHLLOKOSA-N -1 0 346.452 3.538 20 0 EHADRM O=C(NCCc1ccc(Cl)s1)c1ccc2oc(=S)[n-]c2c1 ZINC000816887870 1136760997 /nfs/dbraw/zinc/76/09/97/1136760997.db2.gz TXJWUBZZPQDWJQ-UHFFFAOYSA-N -1 0 338.841 3.804 20 0 EHADRM CCCNc1ccc(CNC(=O)c2ccc3oc(=S)[n-]c3c2)cc1 ZINC000816974051 1136768993 /nfs/dbraw/zinc/76/89/93/1136768993.db2.gz PKXSWJNLYWIGGM-UHFFFAOYSA-N -1 0 341.436 3.868 20 0 EHADRM Cc1cc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)nn1C(C)C ZINC000817357894 1136798532 /nfs/dbraw/zinc/79/85/32/1136798532.db2.gz ORDDCJADXZMDRF-CMDGGOBGSA-N -1 0 339.848 3.838 20 0 EHADRM O=C([O-])[C@]12CN(C(=O)c3cc4c(cccc4F)s3)C[C@H]1CCCC2 ZINC000856993675 1136830928 /nfs/dbraw/zinc/83/09/28/1136830928.db2.gz IDMZJAVTBAMVHS-ADLMAVQZSA-N -1 0 347.411 3.757 20 0 EHADRM CC(=O)N(c1ccc(NC(=O)c2c([O-])cccc2Cl)cc1)C1CC1 ZINC000819014782 1136902842 /nfs/dbraw/zinc/90/28/42/1136902842.db2.gz QXDUIYHHLMFEGI-UHFFFAOYSA-N -1 0 344.798 3.813 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)NCCCC(F)(F)F)c([O-])c2)o1 ZINC000820446871 1136992422 /nfs/dbraw/zinc/99/24/22/1136992422.db2.gz UFLPLKKXMQCTIP-UHFFFAOYSA-N -1 0 341.285 3.537 20 0 EHADRM CC(=CC(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1)c1ccc(F)cc1 ZINC000820465064 1136993991 /nfs/dbraw/zinc/99/39/91/1136993991.db2.gz BSJZOQKJOMGNOX-QXMHVHEDSA-N -1 0 337.354 3.963 20 0 EHADRM CCCCCc1nnc(NC(=O)c2cc(F)cc(F)c2[O-])s1 ZINC001136359253 1136999113 /nfs/dbraw/zinc/99/91/13/1136999113.db2.gz ZTBGOZDQZWZZKY-UHFFFAOYSA-N -1 0 327.356 3.507 20 0 EHADRM CCc1nocc1CN(C)C(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000820675115 1137000505 /nfs/dbraw/zinc/00/05/05/1137000505.db2.gz BONRNTQCHULGQQ-UHFFFAOYSA-N -1 0 329.183 3.522 20 0 EHADRM Cc1c(=O)[n-]n(-c2ccccc2)c1N[C@@H]1CCc2cccc(F)c2C1 ZINC001170978690 1137051130 /nfs/dbraw/zinc/05/11/30/1137051130.db2.gz YFCIQAHYXSYQEC-OAHLLOKOSA-N -1 0 337.398 3.995 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@H](C)c1ccco1 ZINC000860789795 1137078369 /nfs/dbraw/zinc/07/83/69/1137078369.db2.gz KEVKMVRJICGDHV-KSSFIOAISA-N -1 0 349.452 3.617 20 0 EHADRM Cc1cccc(OCCCC(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC000013403350 1137080821 /nfs/dbraw/zinc/08/08/21/1137080821.db2.gz IELVYPKCBMIKOU-FMIVXFBMSA-N -1 0 339.391 3.891 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)c2ccccc2Br)cc1 ZINC000013402694 1137080848 /nfs/dbraw/zinc/08/08/48/1137080848.db2.gz NSFJGTUQSUCMPI-JXMROGBWSA-N -1 0 346.180 3.799 20 0 EHADRM CSCc1ccc(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000013402614 1137080936 /nfs/dbraw/zinc/08/09/36/1137080936.db2.gz CTIPEHHUFVCFOO-IZZDOVSWSA-N -1 0 327.405 3.900 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)Cc1ccc(Br)cc1 ZINC000013432834 1137082097 /nfs/dbraw/zinc/08/20/97/1137082097.db2.gz QKAXBNLHLAKIMG-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM C[C@H](NC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)[C@H](C)C(=O)[O-] ZINC000823333693 1137095543 /nfs/dbraw/zinc/09/55/43/1137095543.db2.gz KWKHGYFHLLPGIJ-GHSSLCQTSA-N -1 0 349.736 3.597 20 0 EHADRM C[C@H](CCc1cccn1C)NC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC001136787130 1137116488 /nfs/dbraw/zinc/11/64/88/1137116488.db2.gz YDUYBWZTHBRRAA-LLVKDONJSA-N -1 0 340.345 3.501 20 0 EHADRM O=C(Nc1ccccc1N1CCCC1)c1ccc2[n-]c(=S)oc2c1 ZINC000118765338 1137131285 /nfs/dbraw/zinc/13/12/85/1137131285.db2.gz VEEYEIJCTLFKOO-UHFFFAOYSA-N -1 0 339.420 3.969 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ncc(Cc3ccccc3)s2)s1 ZINC000862399507 1137142809 /nfs/dbraw/zinc/14/28/09/1137142809.db2.gz ULIDMAWASRMJJH-UHFFFAOYSA-N -1 0 344.417 3.746 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)N3CCC[C@@H](CCF)C3)c([O-])c2)o1 ZINC000824560991 1137142939 /nfs/dbraw/zinc/14/29/39/1137142939.db2.gz QKUJSHAUCUPEAR-ZDUSSCGKSA-N -1 0 345.370 3.677 20 0 EHADRM COc1cc(OC)c2c(c1)N(C(=O)c1c([O-])cccc1Cl)CCC2 ZINC000862776402 1137156828 /nfs/dbraw/zinc/15/68/28/1137156828.db2.gz YGTASFJVTLURFT-UHFFFAOYSA-N -1 0 347.798 3.656 20 0 EHADRM CC[C@@H](C)C[C@@H](C)NC(=O)c1nn(-c2cc(C)ccc2F)cc1[O-] ZINC001136966410 1137158670 /nfs/dbraw/zinc/15/86/70/1137158670.db2.gz BNAKDGPZRIYMJI-DGCLKSJQSA-N -1 0 333.407 3.580 20 0 EHADRM COc1ccc(NC(=O)C2(C(=O)[O-])CCCC2)cc1OC1CCCC1 ZINC000844152108 1137199818 /nfs/dbraw/zinc/19/98/18/1137199818.db2.gz MASLYRFARMQXLV-UHFFFAOYSA-N -1 0 347.411 3.600 20 0 EHADRM C[C@H](C(=O)Nc1cncc(O)c1)c1cccc(C(=O)c2ccccc2)c1 ZINC001143836405 1137204383 /nfs/dbraw/zinc/20/43/83/1137204383.db2.gz FZUUZASZUPZMGL-AWEZNQCLSA-N -1 0 346.386 3.760 20 0 EHADRM C[C@@]1(CCNC(=O)CC2(C(=O)[O-])CCCCCC2)C[C@@]1(F)Cl ZINC000844268870 1137207493 /nfs/dbraw/zinc/20/74/93/1137207493.db2.gz SEPYTFYPDLYQMP-ZBFHGGJFSA-N -1 0 333.831 3.623 20 0 EHADRM CC(C)CC1(C(=O)[N-]S(=O)(=O)/C=C/c2ccccc2)CCCC1 ZINC000119793451 1137211708 /nfs/dbraw/zinc/21/17/08/1137211708.db2.gz IDWKAMJMTUHDMV-JLHYYAGUSA-N -1 0 335.469 3.710 20 0 EHADRM CSCCCCCCC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000864098806 1137214877 /nfs/dbraw/zinc/21/48/77/1137214877.db2.gz UQMJPYQDSFQGTO-KFWWJZLASA-N -1 0 327.490 3.544 20 0 EHADRM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000864100228 1137214972 /nfs/dbraw/zinc/21/49/72/1137214972.db2.gz SLUIRIALQUTGDC-WONIAPNHSA-N -1 0 339.391 3.818 20 0 EHADRM CC(C)C[C@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1cccs1 ZINC000864105521 1137215245 /nfs/dbraw/zinc/21/52/45/1137215245.db2.gz DOPLQSOHNMOELT-WOLRVDTOSA-N -1 0 333.409 3.956 20 0 EHADRM Cc1ccc(C[C@@H]2CCCN2C(=O)/C=C/c2cc(C(=O)[O-])co2)cc1 ZINC000864108453 1137215470 /nfs/dbraw/zinc/21/54/70/1137215470.db2.gz ZQABBVUDNFDKMJ-IJDCCNJMSA-N -1 0 339.391 3.533 20 0 EHADRM CCC[C@@](C)(NC(=O)c1ccc(-c2ccccc2OC)s1)C(=O)[O-] ZINC000864113491 1137215665 /nfs/dbraw/zinc/21/56/65/1137215665.db2.gz UKOVQDCQQYIAJO-GOSISDBHSA-N -1 0 347.436 3.797 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Cc1cc(Cl)cc2ccccc21 ZINC000864115897 1137215766 /nfs/dbraw/zinc/21/57/66/1137215766.db2.gz IAEWXURKDLFREV-UHFFFAOYSA-N -1 0 333.815 3.795 20 0 EHADRM COc1ccccc1-c1ccc(C(=O)N(CC(=O)[O-])CC(C)C)s1 ZINC000864113708 1137215792 /nfs/dbraw/zinc/21/57/92/1137215792.db2.gz BEEYYHVNMIEDGF-UHFFFAOYSA-N -1 0 347.436 3.607 20 0 EHADRM CN(C(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000864116724 1137216064 /nfs/dbraw/zinc/21/60/64/1137216064.db2.gz IACQMODGRZKEPQ-KURKYZTESA-N -1 0 341.382 3.604 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)C2([C@H]3CCCCO3)CCC2)c1 ZINC000864122988 1137216234 /nfs/dbraw/zinc/21/62/34/1137216234.db2.gz ZHFBLSIHAOLUTF-CQSZACIVSA-N -1 0 337.803 3.716 20 0 EHADRM COc1cc(C)cc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)c1C ZINC000864127343 1137216538 /nfs/dbraw/zinc/21/65/38/1137216538.db2.gz TWELBPPOQCUNLD-KRWDZBQOSA-N -1 0 341.407 3.566 20 0 EHADRM CCCN(CCc1cccc(F)c1)C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000864128597 1137216556 /nfs/dbraw/zinc/21/65/56/1137216556.db2.gz MSSQTWAJERAQKU-SREVYHEPSA-N -1 0 345.370 3.611 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)CCc1ccc(C(F)F)cc1 ZINC000864132837 1137216785 /nfs/dbraw/zinc/21/67/85/1137216785.db2.gz WHAHYGQXIDGQAM-OAHLLOKOSA-N -1 0 339.382 3.803 20 0 EHADRM Cc1cc2c(CC(=O)N3CCC[C@@](C)(C(=O)[O-])C3)csc2s1 ZINC000864149416 1137217202 /nfs/dbraw/zinc/21/72/02/1137217202.db2.gz RLBJMTDTLOVZOH-MRXNPFEDSA-N -1 0 337.466 3.527 20 0 EHADRM O=C([O-])[C@H]1CCCCCN1C(=O)/C=C\c1csc(C(F)(F)F)c1 ZINC000864158467 1137217673 /nfs/dbraw/zinc/21/76/73/1137217673.db2.gz MFBAVWLLNYBZFU-ISALQUGTSA-N -1 0 347.358 3.636 20 0 EHADRM CCOC1CC2(C[C@@H]2C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)C1 ZINC000864176212 1137217885 /nfs/dbraw/zinc/21/78/85/1137217885.db2.gz QIGMWMWIPNKVSB-WCKOCXJASA-N -1 0 339.391 3.682 20 0 EHADRM Cc1ccc(N(CC2CC2)C(=O)c2ccc(/C=C\C(=O)[O-])o2)cc1F ZINC000864179070 1137218083 /nfs/dbraw/zinc/21/80/83/1137218083.db2.gz PMDJRTMRYTZKRU-CLFYSBASSA-N -1 0 343.354 3.882 20 0 EHADRM C[C@@H](C1CC1)N(C(=O)c1ccc(/C=C/C(=O)[O-])o1)c1ccccc1 ZINC000864181153 1137218099 /nfs/dbraw/zinc/21/80/99/1137218099.db2.gz KSWWMMMNHXFSDH-XSNHNAGMSA-N -1 0 325.364 3.823 20 0 EHADRM CCCOc1ccc(NC(=O)c2cccc(CC(=O)[O-])c2)cc1C ZINC000864179041 1137218169 /nfs/dbraw/zinc/21/81/69/1137218169.db2.gz OQGZVIXJBWUYTB-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM Cc1ccc([C@@H](C)N(C)C(=O)/C=C/c2cc(C(=O)[O-])co2)c(C)c1 ZINC000864178379 1137218187 /nfs/dbraw/zinc/21/81/87/1137218187.db2.gz ZAHDJIWJRHUKGH-IZPAUZPXSA-N -1 0 327.380 3.827 20 0 EHADRM C[C@@H](C(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)[O-])c1ccccc1 ZINC000864196243 1137218601 /nfs/dbraw/zinc/21/86/01/1137218601.db2.gz OCIIZBSTAHDFPO-BFUOFWGJSA-N -1 0 345.826 3.646 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NCc2cccnc2Br)cc1 ZINC000864512713 1137231110 /nfs/dbraw/zinc/23/11/10/1137231110.db2.gz MHSUSTAFGDFUCB-UHFFFAOYSA-N -1 0 349.228 3.818 20 0 EHADRM CCOc1ccc(-c2ccc(-n3[n-]c(C)cc3=O)nc2)cc1OCC ZINC000864534979 1137233478 /nfs/dbraw/zinc/23/34/78/1137233478.db2.gz MFHOIXXWWZCFGV-UHFFFAOYSA-N -1 0 339.395 3.659 20 0 EHADRM COc1ccc(C2CC2)c(NC(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000864608591 1137236388 /nfs/dbraw/zinc/23/63/88/1137236388.db2.gz RAZIFDHENGUHNC-UHFFFAOYSA-N -1 0 340.379 3.593 20 0 EHADRM CCc1nc(Cl)c(C)c(N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)n1 ZINC000844931729 1137263591 /nfs/dbraw/zinc/26/35/91/1137263591.db2.gz VMYJZBSPJZYUEQ-OLZOCXBDSA-N -1 0 331.803 3.726 20 0 EHADRM CCCC(C)(C)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000845436948 1137291986 /nfs/dbraw/zinc/29/19/86/1137291986.db2.gz AMQMWXFVXHOHCI-UHFFFAOYSA-N -1 0 338.256 3.625 20 0 EHADRM Cc1ccc2c(c1)N(C(=O)c1ncc3ccccc3c1[O-])C[C@@H](C)O2 ZINC001149148115 1137342761 /nfs/dbraw/zinc/34/27/61/1137342761.db2.gz NZBSBAHFIYTXPN-CYBMUJFWSA-N -1 0 334.375 3.677 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1cccc(C2SCCS2)c1 ZINC000846704908 1137362809 /nfs/dbraw/zinc/36/28/09/1137362809.db2.gz AJQROGPGKANAGD-UHFFFAOYSA-N -1 0 339.482 3.995 20 0 EHADRM CCOC(=O)/C(=C/c1cccc(C(=O)[O-])c1Cl)c1ncccc1C ZINC000794948880 1137377537 /nfs/dbraw/zinc/37/75/37/1137377537.db2.gz JPEQTMVINBIORU-GXDHUFHOSA-N -1 0 345.782 3.845 20 0 EHADRM CC(C)(C(=O)[N-]OC1CCCCC1)c1cccc(C(F)(F)F)n1 ZINC000867547576 1137381273 /nfs/dbraw/zinc/38/12/73/1137381273.db2.gz FJHNUWLMSDKMJF-UHFFFAOYSA-N -1 0 330.350 3.759 20 0 EHADRM CCCN(C(=O)c1cc(F)cc(F)c1[O-])[C@@H]1C[C@H](OCC)C1(C)C ZINC001147227712 1137403043 /nfs/dbraw/zinc/40/30/43/1137403043.db2.gz VDTZFYMXSNNXFG-CABCVRRESA-N -1 0 341.398 3.726 20 0 EHADRM C[C@@H]1CCC[C@H](CNC(=O)c2cc(Cl)c3ccccc3c2[O-])O1 ZINC001147762752 1137411828 /nfs/dbraw/zinc/41/18/28/1137411828.db2.gz BQPAKIGPJWOMJI-VXGBXAGGSA-N -1 0 333.815 3.886 20 0 EHADRM O=C(NCCNc1ccccc1)c1cc(Cl)cc(Cl)c1[O-] ZINC001147829682 1137413422 /nfs/dbraw/zinc/41/34/22/1137413422.db2.gz AIZYRLRVJUWHBF-UHFFFAOYSA-N -1 0 325.195 3.541 20 0 EHADRM C[C@H]1CN(C(=O)c2s[n-]c(=O)c2Cl)CC[C@@H]1c1ccccc1 ZINC001148039485 1137417494 /nfs/dbraw/zinc/41/74/94/1137417494.db2.gz WRMKJBZERDPIIN-JQWIXIFHSA-N -1 0 336.844 3.768 20 0 EHADRM C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)[N-]OCC1CCC1 ZINC001148108073 1137418002 /nfs/dbraw/zinc/41/80/02/1137418002.db2.gz ZEOMAKIIERGWCO-HNNXBMFYSA-N -1 0 325.408 3.969 20 0 EHADRM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC001148806184 1137435321 /nfs/dbraw/zinc/43/53/21/1137435321.db2.gz OJAGSDAUILVNSK-MFKMUULPSA-N -1 0 342.222 3.673 20 0 EHADRM CCc1oc(C(=O)Nc2cccc(-c3nccs3)c2)cc1C(=O)[O-] ZINC000339088031 1137438256 /nfs/dbraw/zinc/43/82/56/1137438256.db2.gz KKRJKFLGRLSXHG-UHFFFAOYSA-N -1 0 342.376 3.916 20 0 EHADRM O=C(NCC1([C@@H]2CCCCO2)CCC1)c1ccc2oc(=S)[n-]c2c1 ZINC000871044530 1137519681 /nfs/dbraw/zinc/51/96/81/1137519681.db2.gz JUICYWORMLMWAN-HNNXBMFYSA-N -1 0 346.452 3.586 20 0 EHADRM O=C([O-])CC[C@@H](NCc1cocn1)c1ccc(Cl)c(Cl)c1 ZINC000871065106 1137520417 /nfs/dbraw/zinc/52/04/17/1137520417.db2.gz AROAAPNTGYINLY-CYBMUJFWSA-N -1 0 329.183 3.677 20 0 EHADRM Cc1ccc(CS(=O)(=O)Nc2ccc(C)c(C(=O)[O-])c2C)cc1C ZINC000871777119 1137557921 /nfs/dbraw/zinc/55/79/21/1137557921.db2.gz ZTAUZCNHEOSSKL-UHFFFAOYSA-N -1 0 347.436 3.560 20 0 EHADRM CC(C)[C@H]1CCc2[n-]n(-c3cccc(Br)n3)c(=O)c2C1 ZINC000871951184 1137563612 /nfs/dbraw/zinc/56/36/12/1137563612.db2.gz LBBPAGJYZYZJBV-WDEREUQCSA-N -1 0 336.233 3.619 20 0 EHADRM Cc1c([N-]S(=O)(=O)Cc2ccc(C)c(F)c2)noc1C(C)(C)C ZINC000872007691 1137564399 /nfs/dbraw/zinc/56/43/99/1137564399.db2.gz YJJBUOFMSZKGSN-UHFFFAOYSA-N -1 0 340.420 3.670 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cccc3ncccc32)noc1C(C)(C)C ZINC000872007225 1137564441 /nfs/dbraw/zinc/56/44/41/1137564441.db2.gz LOIQTORWVSLROF-UHFFFAOYSA-N -1 0 345.424 3.630 20 0 EHADRM COc1ccc(C2CC2)c([N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000872413838 1137579679 /nfs/dbraw/zinc/57/96/79/1137579679.db2.gz XNQYIYJUBUBRSJ-UHFFFAOYSA-N -1 0 339.363 3.652 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000872712727 1137583055 /nfs/dbraw/zinc/58/30/55/1137583055.db2.gz YOWFBFCMOCYYMZ-MRXNPFEDSA-N -1 0 325.408 3.830 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000872720822 1137583173 /nfs/dbraw/zinc/58/31/73/1137583173.db2.gz AUPRNQINXMYEMZ-CVHZUXLUSA-N -1 0 333.453 3.643 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCC[C@@H]3C(=O)[O-])cc2)nc1 ZINC000872845163 1137585502 /nfs/dbraw/zinc/58/55/02/1137585502.db2.gz MMIVXQQVNGYOQD-HOTGVXAUSA-N -1 0 340.379 3.622 20 0 EHADRM CCCn1ccc2cc(NC(=O)C(C)(C)SCC(=O)[O-])ccc21 ZINC000872914035 1137586447 /nfs/dbraw/zinc/58/64/47/1137586447.db2.gz AXBWDDKFABFCIJ-UHFFFAOYSA-N -1 0 334.441 3.586 20 0 EHADRM CC(C)(CNC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1)C(C)(F)F ZINC000872999400 1137587741 /nfs/dbraw/zinc/58/77/41/1137587741.db2.gz HLHLIKCCVUDRKF-INIZCTEOSA-N -1 0 333.419 3.845 20 0 EHADRM C[C@H](c1ccccc1F)S(=O)(=O)[N-]C(=O)C[C@H](C)c1ccccc1 ZINC000873567693 1137602661 /nfs/dbraw/zinc/60/26/61/1137602661.db2.gz UCTQQHOOFCODJA-UONOGXRCSA-N -1 0 349.427 3.527 20 0 EHADRM CC[C@H](C)CO[N-]C(=O)C(=O)Nc1ccc(C)c(-c2ccsc2)c1 ZINC000873891323 1137607776 /nfs/dbraw/zinc/60/77/76/1137607776.db2.gz KOJYZLZCOXKNFQ-LBPRGKRZSA-N -1 0 346.452 3.756 20 0 EHADRM O=Cc1ccc(-c2ccc(-c3ccccc3[C@@H](O)CC(=O)[O-])cc2)o1 ZINC000874970743 1137627223 /nfs/dbraw/zinc/62/72/23/1137627223.db2.gz YUFDDUVEOZGQBH-SFHVURJKSA-N -1 0 336.343 3.934 20 0 EHADRM CCCOCCOc1cccc(-c2cc(C=O)cc(C(=O)[O-])c2)c1 ZINC000874969237 1137627275 /nfs/dbraw/zinc/62/72/75/1137627275.db2.gz LIGUXDZZWQTBGB-UHFFFAOYSA-N -1 0 328.364 3.670 20 0 EHADRM O=C(c1ccc(Cl)c([O-])c1)N1CC(OCCCc2ccccc2)C1 ZINC001137119102 1137674414 /nfs/dbraw/zinc/67/44/14/1137674414.db2.gz USQAVLRKMSSSKH-UHFFFAOYSA-N -1 0 345.826 3.519 20 0 EHADRM Cc1ccccc1C1(NCc2nnc(-c3ccccc3O)o2)CCC1 ZINC000878799815 1137728606 /nfs/dbraw/zinc/72/86/06/1137728606.db2.gz QJLDRXCEOJZNEX-UHFFFAOYSA-N -1 0 335.407 3.920 20 0 EHADRM CC/C=C(\C)C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000209831162 1137739542 /nfs/dbraw/zinc/73/95/42/1137739542.db2.gz LGAHISCYPLFNFA-NTEUORMPSA-N -1 0 344.436 3.782 20 0 EHADRM CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc3ccsc3[nH]2)cc1 ZINC000023345847 1137748854 /nfs/dbraw/zinc/74/88/54/1137748854.db2.gz OBOMXIQMDVICBP-LLVKDONJSA-N -1 0 342.420 3.976 20 0 EHADRM CCO[N-]C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000128535509 1137783009 /nfs/dbraw/zinc/78/30/09/1137783009.db2.gz ASZVAQAFROXTSP-UHFFFAOYSA-N -1 0 331.224 3.727 20 0 EHADRM CCc1nn(C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(C)C ZINC000882768237 1137833805 /nfs/dbraw/zinc/83/38/05/1137833805.db2.gz VOVWYCWKBAFBRJ-UHFFFAOYSA-N -1 0 341.864 3.560 20 0 EHADRM CC(C)(C)Oc1ccncc1NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000132015424 1137862171 /nfs/dbraw/zinc/86/21/71/1137862171.db2.gz TZSUKSUPKNLQLZ-UHFFFAOYSA-N -1 0 343.408 3.941 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)N(C)Cc2cccs2)cc1 ZINC000108065593 1137888611 /nfs/dbraw/zinc/88/86/11/1137888611.db2.gz VNBQUVNUDNTXKO-JOCHJYFZSA-N -1 0 335.494 3.638 20 0 EHADRM CC[C@H](NC(=O)CC(CC)(CC)C(=O)[O-])c1ccc(F)cc1F ZINC000348281268 1137893296 /nfs/dbraw/zinc/89/32/96/1137893296.db2.gz LLNDSTRAIMEQLG-AWEZNQCLSA-N -1 0 327.371 3.813 20 0 EHADRM CCOc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)n2)c1 ZINC000800045602 1137895659 /nfs/dbraw/zinc/89/56/59/1137895659.db2.gz AHQFAEMOLCXDRB-UHFFFAOYSA-N -1 0 347.223 3.588 20 0 EHADRM CCCc1nc(=NC(=O)N2CC[C@@H](C)[C@H]2c2cccc(F)c2)s[n-]1 ZINC000331474698 1137909709 /nfs/dbraw/zinc/90/97/09/1137909709.db2.gz DHLCQAVDMAUZAX-ABAIWWIYSA-N -1 0 348.447 3.667 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCC(C)CC3)c2)o1 ZINC000331637241 1137915527 /nfs/dbraw/zinc/91/55/27/1137915527.db2.gz OMAASGROOSIVGO-UHFFFAOYSA-N -1 0 334.441 3.625 20 0 EHADRM CCN(C(=O)c1nn(-c2cc(C)ccc2F)cc1[O-])C1CCCCC1 ZINC000332641919 1137949999 /nfs/dbraw/zinc/94/99/99/1137949999.db2.gz HVQOLYILXFNGQI-UHFFFAOYSA-N -1 0 345.418 3.820 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000333079092 1137954689 /nfs/dbraw/zinc/95/46/89/1137954689.db2.gz FFTWEDXRSQSHNC-SFYZZRBRSA-N -1 0 348.450 3.608 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)N=c2ccc(C3CC3)n[n-]2)c1C ZINC000333084758 1137954862 /nfs/dbraw/zinc/95/48/62/1137954862.db2.gz GGASJPZXSDNYKO-SFHVURJKSA-N -1 0 336.439 3.762 20 0 EHADRM CC[C@@H]1CCc2c(sc3nc(-c4n[nH]c(C5CC5)n4)[n-]c(=O)c23)C1 ZINC000333198748 1137957989 /nfs/dbraw/zinc/95/79/89/1137957989.db2.gz UUYVALSEBJKIRW-MRVPVSSYSA-N -1 0 341.440 3.574 20 0 EHADRM O=C(c1s[n-]c(=O)c1Cl)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000885215554 1137988764 /nfs/dbraw/zinc/98/87/64/1137988764.db2.gz IKQJBPDTNYPNMD-BCPZQOPPSA-N -1 0 334.828 3.820 20 0 EHADRM CC1(C)C[C@H](O)c2cccc(NC(=O)c3cc(F)cc(F)c3[O-])c2O1 ZINC000885665890 1138017063 /nfs/dbraw/zinc/01/70/63/1138017063.db2.gz FVWQEQPXPQJLEX-AWEZNQCLSA-N -1 0 349.333 3.517 20 0 EHADRM CC(C)n1nccc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000066248413 1138074692 /nfs/dbraw/zinc/07/46/92/1138074692.db2.gz VOKUENGLLLRVLN-UHFFFAOYSA-N -1 0 334.228 3.572 20 0 EHADRM CCO[C@@H](CCNC(=O)c1ccc2oc(=S)[n-]c2c1)C1CCCC1 ZINC001137229090 1138106496 /nfs/dbraw/zinc/10/64/96/1138106496.db2.gz BULHIKDTGDUSMI-HNNXBMFYSA-N -1 0 348.468 3.832 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000074426117 1138120516 /nfs/dbraw/zinc/12/05/16/1138120516.db2.gz JTXWLCLKDBIJJA-CYBMUJFWSA-N -1 0 347.484 3.550 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(c2nccc3cccnc32)CC1 ZINC000886910725 1138172170 /nfs/dbraw/zinc/17/21/70/1138172170.db2.gz UUBGZIOBMRCOFP-UHFFFAOYSA-N -1 0 333.391 3.712 20 0 EHADRM CCC(=O)N(C)c1ccc(NC(=O)[C@@](C)(CC(=O)[O-])CC(C)C)cc1 ZINC000887315409 1138262534 /nfs/dbraw/zinc/26/25/34/1138262534.db2.gz SSMVSPYXDNYKCV-LJQANCHMSA-N -1 0 348.443 3.525 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)Nc1ccc2c(c1)C=CC1(CCC1)O2)C(=O)[O-] ZINC000887324059 1138265908 /nfs/dbraw/zinc/26/59/08/1138265908.db2.gz PXHZSVWSDVGLKL-RYUDHWBXSA-N -1 0 347.436 3.548 20 0 EHADRM C[C@](CC(=O)NC1(C2CC2)CCC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000887323839 1138266121 /nfs/dbraw/zinc/26/61/21/1138266121.db2.gz JHYZCJLMZZDEQP-QGZVFWFLSA-N -1 0 335.831 3.521 20 0 EHADRM Cc1c2occ(CC(=O)N3CC[C@H](C(=O)[O-])[C@H](C)C3)c2ccc1Cl ZINC000887325175 1138266424 /nfs/dbraw/zinc/26/64/24/1138266424.db2.gz HYFIIIZEWVPROG-MFKMUULPSA-N -1 0 349.814 3.506 20 0 EHADRM CC[C@H](C)c1cccc(NC(=O)N[C@H](CC2CCOCC2)C(=O)[O-])c1 ZINC000887381008 1138293315 /nfs/dbraw/zinc/29/33/15/1138293315.db2.gz CVIXKBFXSYKFEZ-SUMWQHHRSA-N -1 0 348.443 3.592 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)s1 ZINC000127288106 1138352971 /nfs/dbraw/zinc/35/29/71/1138352971.db2.gz RMIFTNVQOWXSJB-UHFFFAOYSA-N -1 0 340.445 3.597 20 0 EHADRM CC(C)Cc1nnc(NC(=O)c2sccc2OC(F)F)s1 ZINC000264155299 1138430307 /nfs/dbraw/zinc/43/03/07/1138430307.db2.gz IMGIVGVYTPJJNP-UHFFFAOYSA-N -1 0 333.385 3.652 20 0 EHADRM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ncccc3C)c2)n1 ZINC000337144447 1138478820 /nfs/dbraw/zinc/47/88/20/1138478820.db2.gz WLTMSLMGILIYBC-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@H](C)c2ccccc2SC)s1 ZINC000337560703 1138606011 /nfs/dbraw/zinc/60/60/11/1138606011.db2.gz VDVAVRAHPNZBNC-SNVBAGLBSA-N -1 0 336.486 3.517 20 0 EHADRM COc1ccc(CCCCC(=O)N(CC(=O)[O-])c2ccccc2)cc1 ZINC000337728165 1138653561 /nfs/dbraw/zinc/65/35/61/1138653561.db2.gz DBXHGXWXRHLHKG-UHFFFAOYSA-N -1 0 341.407 3.526 20 0 EHADRM O=S(=O)([N-]c1cnc2ccccc2c1)c1cnc2ccccc2c1 ZINC000337770507 1138663977 /nfs/dbraw/zinc/66/39/77/1138663977.db2.gz VDJHGINJIJTAHZ-UHFFFAOYSA-N -1 0 335.388 3.584 20 0 EHADRM CSc1cccc(S(=O)(=O)[N-]c2cnc3ccccc3c2)c1 ZINC000337776336 1138665181 /nfs/dbraw/zinc/66/51/81/1138665181.db2.gz XVUDEGVWFBAXMO-UHFFFAOYSA-N -1 0 330.434 3.758 20 0 EHADRM CO[C@H](C)c1nc(=N[C@@H](C)[C@H](OC)c2ccccc2Cl)s[n-]1 ZINC000337876161 1138688602 /nfs/dbraw/zinc/68/86/02/1138688602.db2.gz QPKJKKJMTIMULP-CWSCBRNRSA-N -1 0 341.864 3.509 20 0 EHADRM CO[C@H](C)c1nc(=N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)s[n-]1 ZINC000337907203 1138695816 /nfs/dbraw/zinc/69/58/16/1138695816.db2.gz DKZUMKQYGNYPFJ-UBHAPETDSA-N -1 0 343.374 3.654 20 0 EHADRM CCn1nccc1/C=C(\CCC(=O)[O-])c1nc2ccccc2s1 ZINC000338079660 1138744200 /nfs/dbraw/zinc/74/42/00/1138744200.db2.gz BZPSCTXHQATRFH-VAWYXSNFSA-N -1 0 327.409 3.918 20 0 EHADRM C[C@H](NS(=O)(=O)c1cc(Cl)sc1Cl)c1cncs1 ZINC000338430292 1138910923 /nfs/dbraw/zinc/91/09/23/1138910923.db2.gz HBABFCJAHQEGKO-YFKPBYRVSA-N -1 0 343.282 3.551 20 0 EHADRM CC(C)[C@H](SCc1ccccc1)C(=O)[N-]OCc1cccnc1 ZINC000152563493 1139097805 /nfs/dbraw/zinc/09/78/05/1139097805.db2.gz UZGSXBVOCSCJBJ-KRWDZBQOSA-N -1 0 330.453 3.587 20 0 EHADRM CCc1onc(C)c1[N-]C(=O)c1sc(Cl)nc1C(F)(F)F ZINC000889740526 1139265314 /nfs/dbraw/zinc/26/53/14/1139265314.db2.gz DTCCZAUHBDVPME-UHFFFAOYSA-N -1 0 339.726 3.926 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC[C@H](C(F)(F)F)C1 ZINC000173781827 1139377311 /nfs/dbraw/zinc/37/73/11/1139377311.db2.gz YIDIKQUEQPRXRW-VIFPVBQESA-N -1 0 330.331 3.531 20 0 EHADRM CCOCCC1(CNC(=O)c2cc(F)c(F)c([O-])c2F)CCCC1 ZINC000180163639 1139814840 /nfs/dbraw/zinc/81/48/40/1139814840.db2.gz IZRCPKUKKNTWBQ-UHFFFAOYSA-N -1 0 345.361 3.526 20 0 EHADRM CN(C(=O)Cc1ccccc1C(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000777360037 1139830726 /nfs/dbraw/zinc/83/07/26/1139830726.db2.gz MFSALKVECGMAKE-UHFFFAOYSA-N -1 0 325.408 3.888 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)/C(=C\c1ccc(F)cc1)c1cccs1 ZINC000777377438 1139934406 /nfs/dbraw/zinc/93/44/06/1139934406.db2.gz WLLSYCRFFQAWBX-CMHHUMAZSA-N -1 0 347.411 3.797 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2ccnn2C(C)C)cc1Cl ZINC000185609504 1140158562 /nfs/dbraw/zinc/15/85/62/1140158562.db2.gz VKLYSLOARSWPCQ-UHFFFAOYSA-N -1 0 345.877 3.640 20 0 EHADRM CCc1cccc(CC)c1[N-]S(=O)(=O)c1c(OC)cccc1OC ZINC000186528346 1140208366 /nfs/dbraw/zinc/20/83/66/1140208366.db2.gz AGJBUCWMAXKBRY-UHFFFAOYSA-N -1 0 349.452 3.629 20 0 EHADRM COc1cccc(OC)c1S(=O)(=O)[N-]c1ccccc1C(C)C ZINC000186906381 1140227770 /nfs/dbraw/zinc/22/77/70/1140227770.db2.gz HDHMPQSTJIQHNG-UHFFFAOYSA-N -1 0 335.425 3.628 20 0 EHADRM Cc1c(NC(=O)c2cc(F)c(F)c([O-])c2F)cnn1C1CCCC1 ZINC000192988140 1140558584 /nfs/dbraw/zinc/55/85/84/1140558584.db2.gz GKUPRNPXXUJQIY-UHFFFAOYSA-N -1 0 339.317 3.682 20 0 EHADRM O=C([O-])C1CCC(C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000194405500 1140607676 /nfs/dbraw/zinc/60/76/76/1140607676.db2.gz GIZIYSMIVRFOPI-ZBCRRDGASA-N -1 0 335.831 3.895 20 0 EHADRM Cc1ccc([C@H]2CCCCN2C(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000194414559 1140608458 /nfs/dbraw/zinc/60/84/58/1140608458.db2.gz OBCZULOJQNIZBL-DAWZGUTISA-N -1 0 329.440 3.940 20 0 EHADRM C[C@@H]1SCCN(C(=O)C2CCC(C(=O)[O-])CC2)[C@@H]1c1ccccc1 ZINC000194432516 1140609681 /nfs/dbraw/zinc/60/96/81/1140609681.db2.gz DKHKOPHSSLNUPD-LYAPFXNSSA-N -1 0 347.480 3.583 20 0 EHADRM Cc1sc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1-c1ccc(F)cc1 ZINC000194446856 1140609907 /nfs/dbraw/zinc/60/99/07/1140609907.db2.gz KEETWFHTNLCUGA-GXTWGEPZSA-N -1 0 347.411 3.846 20 0 EHADRM C[C@H](CC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC000194479709 1140610617 /nfs/dbraw/zinc/61/06/17/1140610617.db2.gz XQJQWDVWFKFDFQ-SCDSUCTJSA-N -1 0 343.345 3.569 20 0 EHADRM O=C([O-])[C@H]1CC[C@@H](NC(=O)c2ccccc2Sc2ccccc2)C1 ZINC000194472029 1140610664 /nfs/dbraw/zinc/61/06/64/1140610664.db2.gz WQCYBSIBBDLUKX-UONOGXRCSA-N -1 0 341.432 3.821 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2nnc(C(C)(C)C)o2)s1 ZINC000194791052 1140621814 /nfs/dbraw/zinc/62/18/14/1140621814.db2.gz DORACYYGDRTYPI-UHFFFAOYSA-N -1 0 343.474 3.527 20 0 EHADRM O=S(=O)([N-]c1nnc(C2CCCCC2)o1)c1ccccc1Cl ZINC000194784431 1140622072 /nfs/dbraw/zinc/62/20/72/1140622072.db2.gz JORKOJZZNURQNZ-UHFFFAOYSA-N -1 0 341.820 3.572 20 0 EHADRM CO[C@H](C)c1nc(=NC(=O)N(C)[C@@H](C)c2ccc(C)cc2C)s[n-]1 ZINC000350655856 1140692625 /nfs/dbraw/zinc/69/26/25/1140692625.db2.gz XVMQDUBOMJHVAX-QWHCGFSZSA-N -1 0 348.472 3.509 20 0 EHADRM O=C(CC[C@@H]1CCCO1)Nc1cc(Cl)cc(Br)c1[O-] ZINC000267387978 1140785613 /nfs/dbraw/zinc/78/56/13/1140785613.db2.gz WIBPAJYTRLHWAD-VIFPVBQESA-N -1 0 348.624 3.706 20 0 EHADRM O=C(Nc1cccc(-n2cccc2)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000339180543 1141520091 /nfs/dbraw/zinc/52/00/91/1141520091.db2.gz CCDDIDHZBYMYFU-UHFFFAOYSA-N -1 0 329.359 3.571 20 0 EHADRM O=C(Nc1ccc2nc(C3CC3)oc2c1)c1s[n-]c(=O)c1Cl ZINC000339236015 1141536529 /nfs/dbraw/zinc/53/65/29/1141536529.db2.gz WBCBJANDRWFGEV-UHFFFAOYSA-N -1 0 335.772 3.773 20 0 EHADRM CCCCOc1cccc(CNC(=O)c2s[n-]c(=O)c2Cl)c1 ZINC000283170312 1141566253 /nfs/dbraw/zinc/56/62/53/1141566253.db2.gz XCAOGDQQILDVDD-UHFFFAOYSA-N -1 0 340.832 3.611 20 0 EHADRM CSCc1ccc(CNC(=O)CC2(C(=O)[O-])CCCCCC2)cc1 ZINC000349003699 1141620687 /nfs/dbraw/zinc/62/06/87/1141620687.db2.gz KDHWISIYAUEOKH-UHFFFAOYSA-N -1 0 349.496 3.981 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)n1 ZINC000349039367 1141627080 /nfs/dbraw/zinc/62/70/80/1141627080.db2.gz PRQQWALMCMNZLB-UHFFFAOYSA-N -1 0 347.465 3.753 20 0 EHADRM Cc1ccc(SC[C@H](C)NC(=O)CC2(C(=O)[O-])CCCC2)cc1 ZINC000349085202 1141636817 /nfs/dbraw/zinc/63/68/17/1141636817.db2.gz XPIUJJOUPNDNKT-AWEZNQCLSA-N -1 0 335.469 3.627 20 0 EHADRM CCc1ccc(C(=O)Nc2cc(Br)ccc2C(=O)[O-])cc1 ZINC000066124203 215014023 /nfs/dbraw/zinc/01/40/23/215014023.db2.gz RMAZAQWYUOBNKR-UHFFFAOYSA-N -1 0 348.196 3.962 20 0 EHADRM O=C([O-])c1ccc(Br)cc1NC(=O)c1ccc(Cl)o1 ZINC000037742400 202358509 /nfs/dbraw/zinc/35/85/09/202358509.db2.gz QWBZJZGUTSUQHJ-UHFFFAOYSA-N -1 0 344.548 3.646 20 0 EHADRM COc1cc(C)ccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000071977877 203156297 /nfs/dbraw/zinc/15/62/97/203156297.db2.gz VDWMCMIMVISIHF-UHFFFAOYSA-N -1 0 327.405 3.958 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@H](c2ccccc2)C(C)C)cc1C ZINC000107960990 526092872 /nfs/dbraw/zinc/09/28/72/526092872.db2.gz VZQKPSMVWZULDQ-RDPSFJRHSA-N -1 0 343.492 3.925 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1C ZINC000107962938 526093707 /nfs/dbraw/zinc/09/37/07/526093707.db2.gz BEUUJHAXAXTIJX-FATZIPQQSA-N -1 0 349.883 3.942 20 0 EHADRM Cc1nc(-c2c[nH]c(C(=O)Nc3cc(C(=O)[O-])ccc3C)c2)cs1 ZINC000323952118 526560431 /nfs/dbraw/zinc/56/04/31/526560431.db2.gz OMNSSJQIZQLNGG-UHFFFAOYSA-N -1 0 341.392 3.706 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000299743989 564150584 /nfs/dbraw/zinc/15/05/84/564150584.db2.gz NCMBHWZEUNRNDY-SNVBAGLBSA-N -1 0 347.308 3.562 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2ccc(F)cc2C(F)(F)F)CC1 ZINC000299746771 564150676 /nfs/dbraw/zinc/15/06/76/564150676.db2.gz ZRFBDXXAYKEROK-SNVBAGLBSA-N -1 0 347.308 3.562 20 0 EHADRM CSc1ccccc1NS(=O)(=O)c1cccc(Cl)c1[O-] ZINC000339210666 569966351 /nfs/dbraw/zinc/96/63/51/569966351.db2.gz PUHIZEOJQYTMJH-UHFFFAOYSA-N -1 0 329.830 3.568 20 0 EHADRM Clc1ccc(Sc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000737575579 598933482 /nfs/dbraw/zinc/93/34/82/598933482.db2.gz YAFPBTWJPYZISX-UHFFFAOYSA-N -1 0 340.799 3.615 20 0 EHADRM O=C([O-])Cc1cccc(NCc2cc(Cl)c3c(c2)OCCCO3)c1 ZINC000414642358 597137546 /nfs/dbraw/zinc/13/75/46/597137546.db2.gz VRCBAVBENQQZHI-UHFFFAOYSA-N -1 0 347.798 3.741 20 0 EHADRM CCOc1ccc([C@H](C)NC(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000737887726 597195891 /nfs/dbraw/zinc/19/58/91/597195891.db2.gz RXHJAOHCIDJSCO-ZDUSSCGKSA-N -1 0 342.395 3.595 20 0 EHADRM COc1ccc([C@H](C)N(C)C(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000738092473 597196568 /nfs/dbraw/zinc/19/65/68/597196568.db2.gz GXMSWCKGDQQZSI-ZDUSSCGKSA-N -1 0 342.395 3.547 20 0 EHADRM CCN(C(=O)Nc1cccc(CC(=O)[O-])c1)[C@H](C)c1cccc(O)c1 ZINC000818190144 597200340 /nfs/dbraw/zinc/20/03/40/597200340.db2.gz CXXQVXBNHORTBT-CYBMUJFWSA-N -1 0 342.395 3.634 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N[C@H]2CCc3cc(Cl)ccc32)c1 ZINC000738623199 597201460 /nfs/dbraw/zinc/20/14/60/597201460.db2.gz CZUSGBQTFXADND-INIZCTEOSA-N -1 0 344.798 3.776 20 0 EHADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000324949038 597230899 /nfs/dbraw/zinc/23/08/99/597230899.db2.gz GHJMJLIOYLPFMK-GFCCVEGCSA-N -1 0 346.814 3.941 20 0 EHADRM O=C([O-])CCCNC(=S)Nc1ccc(Oc2ccccc2)cc1 ZINC000242781399 597281950 /nfs/dbraw/zinc/28/19/50/597281950.db2.gz DXBHCZLTDQFCQU-UHFFFAOYSA-N -1 0 330.409 3.630 20 0 EHADRM Cc1ccc(CN(C(=O)NCc2ccc(C(=O)[O-])cc2)C(C)C)s1 ZINC000263419424 597300381 /nfs/dbraw/zinc/30/03/81/597300381.db2.gz WOUNDBOGBWTKNV-UHFFFAOYSA-N -1 0 346.452 3.875 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1ccccc1N1CCCCC1 ZINC000819626079 597319194 /nfs/dbraw/zinc/31/91/94/597319194.db2.gz FDAXCUVWCWYXDN-UHFFFAOYSA-N -1 0 338.407 3.556 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1cccc(-c2nc(C)c(C)o2)c1)C(=O)[O-] ZINC000571742047 597401639 /nfs/dbraw/zinc/40/16/39/597401639.db2.gz AKNSLGJYXNPACL-BONVTDFDSA-N -1 0 345.399 3.579 20 0 EHADRM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)NCCCCC(=O)[O-] ZINC000666562205 598167501 /nfs/dbraw/zinc/16/75/01/598167501.db2.gz OUIYKDNKHDBIIY-GFCCVEGCSA-N -1 0 341.477 3.532 20 0 EHADRM Cc1csc([C@@H]2CCCN(C(=O)Nc3ccccc3C(=O)[O-])C2)n1 ZINC000821147192 598177777 /nfs/dbraw/zinc/17/77/77/598177777.db2.gz ZUKXRHWQHOCHNO-GFCCVEGCSA-N -1 0 345.424 3.561 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N(CCC(F)(F)F)CC1CC1 ZINC000821552142 598179559 /nfs/dbraw/zinc/17/95/59/598179559.db2.gz IQZSOJARJREXMI-UHFFFAOYSA-N -1 0 330.306 3.581 20 0 EHADRM CSc1ccc(C)c(NC(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000820910032 598187136 /nfs/dbraw/zinc/18/71/36/598187136.db2.gz MDBYDBKVCYUSLR-UHFFFAOYSA-N -1 0 330.409 3.988 20 0 EHADRM COc1cc([C@H](C)Nc2cccc(CC(=O)[O-])c2)cc(OC)c1OC ZINC000820759490 598198257 /nfs/dbraw/zinc/19/82/57/598198257.db2.gz VIABPHXDIRBKQY-LBPRGKRZSA-N -1 0 345.395 3.513 20 0 EHADRM Cc1ccc([C@H](CNC(=O)Nc2cccc(C(F)F)c2)C(=O)[O-])cc1 ZINC000738559373 599701391 /nfs/dbraw/zinc/70/13/91/599701391.db2.gz HMISGGCNROBQJN-HNNXBMFYSA-N -1 0 348.349 3.923 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N2CCCc3sccc3C2)cc1 ZINC000739759839 599701914 /nfs/dbraw/zinc/70/19/14/599701914.db2.gz MCGBJTWOYFXGCF-UHFFFAOYSA-N -1 0 344.436 3.746 20 0 EHADRM CCCc1c(C(=O)Nc2ccc3scnc3c2)[nH]c(C)c1C(=O)[O-] ZINC000737043610 599703544 /nfs/dbraw/zinc/70/35/44/599703544.db2.gz KPJBOBWVYOXGPC-UHFFFAOYSA-N -1 0 343.408 3.836 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000740056841 599706393 /nfs/dbraw/zinc/70/63/93/599706393.db2.gz PUDOYDUEVOLQGT-UHFFFAOYSA-N -1 0 340.257 3.927 20 0 EHADRM CCCC[C@H](Sc1nnc(-c2cccs2)n1CC)C(=O)[O-] ZINC000736985770 599710004 /nfs/dbraw/zinc/71/00/04/599710004.db2.gz RIVOQVSUSJKILF-NSHDSACASA-N -1 0 325.459 3.762 20 0 EHADRM CCCC[C@@H](Sc1nnc(C(C)C)n1Cc1ccco1)C(=O)[O-] ZINC000736985288 599710030 /nfs/dbraw/zinc/71/00/30/599710030.db2.gz NLFOJNUXNADWEF-CYBMUJFWSA-N -1 0 337.445 3.778 20 0 EHADRM O=C([O-])NCCCC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000739963892 599712080 /nfs/dbraw/zinc/71/20/80/599712080.db2.gz NEZVFXNINKFKFK-QGZVFWFLSA-N -1 0 346.814 3.593 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)NCc2cc3ccccc3o2)ccc1F ZINC000740008924 599713972 /nfs/dbraw/zinc/71/39/72/599713972.db2.gz SSTVATIKDMMNBO-UHFFFAOYSA-N -1 0 343.314 3.984 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CNC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)o1 ZINC000736762433 599714233 /nfs/dbraw/zinc/71/42/33/599714233.db2.gz AZXLLHFLNOFJSO-BXKDBHETSA-N -1 0 347.346 3.954 20 0 EHADRM Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)no1 ZINC000738377923 599717256 /nfs/dbraw/zinc/71/72/56/599717256.db2.gz ANOCICXSQQJRPX-AWEZNQCLSA-N -1 0 348.334 3.581 20 0 EHADRM O=C([O-])c1cccc(NC(=O)CCCc2c[nH]c3ccccc23)c1O ZINC000328148716 599720225 /nfs/dbraw/zinc/72/02/25/599720225.db2.gz NJKORBIFWYFTMC-UHFFFAOYSA-N -1 0 338.363 3.533 20 0 EHADRM C[C@@H](NC(=O)CCCN(C)C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000736637073 599724838 /nfs/dbraw/zinc/72/48/38/599724838.db2.gz RDIODGARVDYOCJ-SECBINFHSA-N -1 0 333.215 3.561 20 0 EHADRM Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)CCCN(C)C(=O)[O-] ZINC000738351987 599725818 /nfs/dbraw/zinc/72/58/18/599725818.db2.gz QTSBITIEOVFSKE-UHFFFAOYSA-N -1 0 348.487 3.650 20 0 EHADRM CCCCN([C@@H](C)CC)S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000320645746 599726585 /nfs/dbraw/zinc/72/65/85/599726585.db2.gz FSEOQZZOZPQZLR-NSHDSACASA-N -1 0 347.864 3.628 20 0 EHADRM O=C([O-])c1ccc(C(=O)Oc2ccccc2OCC(F)(F)F)s1 ZINC000740120419 599730895 /nfs/dbraw/zinc/73/08/95/599730895.db2.gz ICEBBTBZEDFIJQ-UHFFFAOYSA-N -1 0 346.282 3.607 20 0 EHADRM CCC(CC)(NC(=O)CCNC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000736893207 599732288 /nfs/dbraw/zinc/73/22/88/599732288.db2.gz GQOMYDXBRANDJF-UHFFFAOYSA-N -1 0 347.242 3.783 20 0 EHADRM CC(C)C[C@@H](C)CC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000736403206 599732888 /nfs/dbraw/zinc/73/28/88/599732888.db2.gz BTCSXEGBGMMECK-CQSZACIVSA-N -1 0 332.444 3.996 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000737255956 599746290 /nfs/dbraw/zinc/74/62/90/599746290.db2.gz DOYRMORNVRVOMN-PIGZYNQJSA-N -1 0 347.361 3.573 20 0 EHADRM COc1ccc(C2(C(=O)OCc3cccc(C(=O)[O-])c3)CCC2)cc1 ZINC000737978945 599747832 /nfs/dbraw/zinc/74/78/32/599747832.db2.gz AQRCCNDSTVAPHS-UHFFFAOYSA-N -1 0 340.375 3.559 20 0 EHADRM O=C([O-])c1cccc(COC(=O)c2ccccc2OCC2CC2)c1 ZINC000740226125 599748343 /nfs/dbraw/zinc/74/83/43/599748343.db2.gz AOSBPVAXGMCPBV-UHFFFAOYSA-N -1 0 326.348 3.531 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)Nc1ccc2scnc2c1)c1ccccc1 ZINC000738565387 599758078 /nfs/dbraw/zinc/75/80/78/599758078.db2.gz KKGVMCJBVBJJKF-CYBMUJFWSA-N -1 0 341.392 3.634 20 0 EHADRM O=C([O-])c1cccc(CNc2cc(F)ccc2OC[C@@H]2CCCO2)c1 ZINC000263461595 599763632 /nfs/dbraw/zinc/76/36/32/599763632.db2.gz IXSQZDHHPBMQLR-INIZCTEOSA-N -1 0 345.370 3.694 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)Oc1cccc(F)c1F)C(=O)[O-] ZINC000736717453 599764378 /nfs/dbraw/zinc/76/43/78/599764378.db2.gz OIWFVBIFOBFJMI-SECBINFHSA-N -1 0 338.331 3.749 20 0 EHADRM Cc1cccc(OCCCC(=O)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC000237707198 599766183 /nfs/dbraw/zinc/76/61/83/599766183.db2.gz YPTLNCUGIPZOSQ-UHFFFAOYSA-N -1 0 341.407 3.810 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2nc(Cl)ccc2Cl)cc1 ZINC000318742136 599768072 /nfs/dbraw/zinc/76/80/72/599768072.db2.gz SUNKOCLOSSLUIJ-UHFFFAOYSA-N -1 0 339.178 3.658 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1 ZINC000238047723 599768096 /nfs/dbraw/zinc/76/80/96/599768096.db2.gz XWXAKZUXSVHATP-SJORKVTESA-N -1 0 327.355 3.585 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000237524564 599770382 /nfs/dbraw/zinc/77/03/82/599770382.db2.gz VPEIDAZKMFSIDS-AWEZNQCLSA-N -1 0 343.448 3.964 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2ccc(-c3cnco3)cc2)cc1 ZINC000346020189 599770847 /nfs/dbraw/zinc/77/08/47/599770847.db2.gz UANMJJUOBRCDNK-UHFFFAOYSA-N -1 0 336.347 3.611 20 0 EHADRM COc1cc(Cl)ccc1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000237171457 599771253 /nfs/dbraw/zinc/77/12/53/599771253.db2.gz BHJDGOKJAXFGFR-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)CCCOc2ccccc2F)cc1 ZINC000238026762 599771336 /nfs/dbraw/zinc/77/13/36/599771336.db2.gz QSLNYGRBWYFAKR-UHFFFAOYSA-N -1 0 345.370 3.641 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000262127136 599771907 /nfs/dbraw/zinc/77/19/07/599771907.db2.gz JJONRGGHFZZAMU-ZDUSSCGKSA-N -1 0 329.371 3.975 20 0 EHADRM CC(C)CC[C@H]1CCC[C@H]1NC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000736427076 599788799 /nfs/dbraw/zinc/78/87/99/599788799.db2.gz RNXDCUQVMRAYGN-RHSMWYFYSA-N -1 0 348.443 3.876 20 0 EHADRM Cc1cc(C(=O)N(CC(=O)[O-])C(C)C)sc1-c1ccc(F)cc1 ZINC000181641670 599809509 /nfs/dbraw/zinc/80/95/09/599809509.db2.gz APXDJFGCAIRSQU-UHFFFAOYSA-N -1 0 335.400 3.798 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(C(F)F)cc1)c1ccc(F)cc1 ZINC000738567479 599811867 /nfs/dbraw/zinc/81/18/67/599811867.db2.gz YEYKOPZAOPYNFD-CQSZACIVSA-N -1 0 337.297 3.709 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)c1ccc(SC(F)(F)F)cc1)C(=O)[O-] ZINC000237022269 599816471 /nfs/dbraw/zinc/81/64/71/599816471.db2.gz SDQQYBVTBFZKBK-KCJUWKMLSA-N -1 0 335.347 3.528 20 0 EHADRM CCCCN(C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000736991595 599820642 /nfs/dbraw/zinc/82/06/42/599820642.db2.gz NIGOHZWSQRDTDF-UHFFFAOYSA-N -1 0 348.321 3.590 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)N[C@@H](c2ccccc2)C2CCC2)cc1 ZINC000739879732 599820773 /nfs/dbraw/zinc/82/07/73/599820773.db2.gz TXNKDIKTAVJKPT-IBGZPJMESA-N -1 0 338.407 3.977 20 0 EHADRM Cc1cccc(-c2cccc(CNC(=O)[C@H](NC(=O)[O-])C(C)C)c2)c1 ZINC000738679911 599824779 /nfs/dbraw/zinc/82/47/79/599824779.db2.gz FKBNPSZHYVRMEN-GOSISDBHSA-N -1 0 340.423 3.570 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)NCc2cccc3cccnc32)cc1 ZINC000739760635 599825719 /nfs/dbraw/zinc/82/57/19/599825719.db2.gz UGXSAKFZOHOIED-UHFFFAOYSA-N -1 0 349.390 3.574 20 0 EHADRM CN(C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)C(C)(C)C(=O)[O-] ZINC000737315454 599826461 /nfs/dbraw/zinc/82/64/61/599826461.db2.gz WCDWAKSUSPUHFR-QPJJXVBHSA-N -1 0 349.736 3.694 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)NCCCCc2ccccc2)cc1 ZINC000739759244 599827806 /nfs/dbraw/zinc/82/78/06/599827806.db2.gz KNKAZTKRTNQSIB-UHFFFAOYSA-N -1 0 340.423 3.848 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N(Cc2cccs2)C2CC2)cc1 ZINC000325336087 599829439 /nfs/dbraw/zinc/82/94/39/599829439.db2.gz BBNTUQSRORWGNX-UHFFFAOYSA-N -1 0 344.436 3.962 20 0 EHADRM O=C([O-])c1c(NC(=O)Cc2cccc(Cl)c2)sc2c1CCC2 ZINC000316002566 599834401 /nfs/dbraw/zinc/83/44/01/599834401.db2.gz YXHMLXBGOMTUEK-UHFFFAOYSA-N -1 0 335.812 3.770 20 0 EHADRM COc1cccc([C@@H](C)C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)c1 ZINC000738092193 599834981 /nfs/dbraw/zinc/83/49/81/599834981.db2.gz OUQBIYRCVXHJTJ-SNVBAGLBSA-N -1 0 345.420 3.686 20 0 EHADRM CN(C(=O)CCc1ccc(-c2ccccc2)[nH]1)c1ccccc1C(=O)[O-] ZINC000737320134 599836634 /nfs/dbraw/zinc/83/66/34/599836634.db2.gz UYRYJUVMYHROAF-UHFFFAOYSA-N -1 0 348.402 3.976 20 0 EHADRM CN(C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)c1ccccc1C(=O)[O-] ZINC000737315841 599837464 /nfs/dbraw/zinc/83/74/64/599837464.db2.gz YXKGIXZWHXSJKW-HUUCEWRRSA-N -1 0 329.783 3.805 20 0 EHADRM Cc1ccc(-c2nc(C(=O)N(C)c3ccccc3C(=O)[O-])cs2)o1 ZINC000738249659 599838871 /nfs/dbraw/zinc/83/88/71/599838871.db2.gz VOJBWNGINLJLLK-UHFFFAOYSA-N -1 0 342.376 3.686 20 0 EHADRM Cc1oc(COC(=O)Cc2ccccc2C(F)(F)F)cc1C(=O)[O-] ZINC000738983393 599840998 /nfs/dbraw/zinc/84/09/98/599840998.db2.gz RKVFVVXDCKJSHX-UHFFFAOYSA-N -1 0 342.269 3.591 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)/C=C/c1ccc2ccccc2n1 ZINC000739217319 599847675 /nfs/dbraw/zinc/84/76/75/599847675.db2.gz YSMLRPPLRSIHDC-ZHACJKMWSA-N -1 0 336.322 3.724 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C)s2)cc1 ZINC000237362455 599849139 /nfs/dbraw/zinc/84/91/39/599849139.db2.gz VVLGNXCGSXYODJ-ZDUSSCGKSA-N -1 0 335.450 3.724 20 0 EHADRM O=C([O-])c1coc(CN2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 ZINC000740269339 599850247 /nfs/dbraw/zinc/85/02/47/599850247.db2.gz NFYXVDCSAOBSRL-DTORHVGOSA-N -1 0 345.239 3.541 20 0 EHADRM COc1ccc([C@H](NCc2csc(C3CCCC3)n2)C(=O)[O-])cc1 ZINC000737972075 599862843 /nfs/dbraw/zinc/86/28/43/599862843.db2.gz UWJIBQSTEQKYKB-INIZCTEOSA-N -1 0 346.452 3.725 20 0 EHADRM C[C@H](OC(=O)CCCN(C)C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000736684886 599871699 /nfs/dbraw/zinc/87/16/99/599871699.db2.gz NNWLYMZCJFPWBX-VIFPVBQESA-N -1 0 334.199 3.988 20 0 EHADRM O=C([O-])c1coc(COC(=O)C2(c3cccc(Cl)c3)CCC2)c1 ZINC000740267795 599879535 /nfs/dbraw/zinc/87/95/35/599879535.db2.gz MLIBCVYSXCHNAU-UHFFFAOYSA-N -1 0 334.755 3.796 20 0 EHADRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])nc1)c1ccc(C(F)(F)F)cc1 ZINC000736690704 599882551 /nfs/dbraw/zinc/88/25/51/599882551.db2.gz OXJMQWXHMCXJCC-SECBINFHSA-N -1 0 339.269 3.717 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)OCc2cc(C(=O)[O-])co2)c1 ZINC000738553616 599883947 /nfs/dbraw/zinc/88/39/47/599883947.db2.gz XAKUVSKDVMLRSR-CYBMUJFWSA-N -1 0 346.379 3.920 20 0 EHADRM COc1ccc2c(c1)CCC[C@@H]2CC(=O)OCc1cc(C(=O)[O-])co1 ZINC000738074377 599884612 /nfs/dbraw/zinc/88/46/12/599884612.db2.gz REGKOAOTOAHLSM-CYBMUJFWSA-N -1 0 344.363 3.540 20 0 EHADRM Cc1cccc(COc2ccc(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])c(C)c2)c1 ZINC000262568862 599885760 /nfs/dbraw/zinc/88/57/60/599885760.db2.gz BZQPYWRVNHZFRP-IAGOWNOFSA-N -1 0 339.391 3.542 20 0 EHADRM CCC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000736971419 599885969 /nfs/dbraw/zinc/88/59/69/599885969.db2.gz BKNUEVIZOHQIQC-XJKSGUPXSA-N -1 0 334.416 3.630 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000492960773 599886460 /nfs/dbraw/zinc/88/64/60/599886460.db2.gz XZJPRPGJWJNKOO-CDNLZTBQSA-N -1 0 345.439 3.590 20 0 EHADRM Cc1ccc2c(c1C)OC[C@@H]2NC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000738670981 599886843 /nfs/dbraw/zinc/88/68/43/599886843.db2.gz OZEBDSSFRDNAAT-INIZCTEOSA-N -1 0 340.379 3.565 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000236734173 599894513 /nfs/dbraw/zinc/89/45/13/599894513.db2.gz ACGQIUDEEDRPMH-MOPGFXCFSA-N -1 0 339.435 3.903 20 0 EHADRM CCC(CC)[C@H](NC(=O)N[C@H]1CCCN(C(=O)[O-])C1)c1ccccc1 ZINC000736895009 599895147 /nfs/dbraw/zinc/89/51/47/599895147.db2.gz LUNBPJGFZVMUIC-IRXDYDNUSA-N -1 0 347.459 3.606 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)c1ccccc1 ZINC000238025196 599897005 /nfs/dbraw/zinc/89/70/05/599897005.db2.gz NUSQIGNEYXIWPJ-HSALFYBXSA-N -1 0 345.398 3.885 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)N(C)Cc1ccccc1-c1ccccc1 ZINC000736365402 599897569 /nfs/dbraw/zinc/89/75/69/599897569.db2.gz VLRHBTMROUXBLN-SFHVURJKSA-N -1 0 340.423 3.604 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N(Cc2ccc(F)cc2F)C2CC2)c1 ZINC000740027434 599902462 /nfs/dbraw/zinc/90/24/62/599902462.db2.gz UTKKCQRTSQULKB-UHFFFAOYSA-N -1 0 346.333 3.860 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)c2ccc(NC(=O)[O-])cc2)c(C)c1 ZINC000738271033 599904734 /nfs/dbraw/zinc/90/47/34/599904734.db2.gz VVTNNOZFQQKYQC-AWEZNQCLSA-N -1 0 326.396 3.754 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000542517316 599906330 /nfs/dbraw/zinc/90/63/30/599906330.db2.gz BACULMKZQXNWKM-CYBMUJFWSA-N -1 0 327.380 3.834 20 0 EHADRM Cc1oc(-c2ccsc2)nc1COc1ccc(C(=O)[O-])cc1C=O ZINC000738958180 599908799 /nfs/dbraw/zinc/90/87/99/599908799.db2.gz UUQLZLMCPYOUSN-UHFFFAOYSA-N -1 0 343.360 3.801 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cc1Cl ZINC000237601484 599908986 /nfs/dbraw/zinc/90/89/86/599908986.db2.gz IXLOVEJAYCCYEQ-HNNXBMFYSA-N -1 0 335.762 3.733 20 0 EHADRM Cc1c(NC(=O)Cc2csc(C(C)(C)C)n2)cccc1C(=O)[O-] ZINC000675966485 599913115 /nfs/dbraw/zinc/91/31/15/599913115.db2.gz LBKXHEMNJBOTLK-UHFFFAOYSA-N -1 0 332.425 3.628 20 0 EHADRM C[C@H](CC(=O)N(CCC(=O)[O-])Cc1ccccc1)c1ccccc1F ZINC000675947244 599913175 /nfs/dbraw/zinc/91/31/75/599913175.db2.gz WBXXAOLBQRZIGQ-OAHLLOKOSA-N -1 0 343.398 3.823 20 0 EHADRM Cc1cc(NC(=O)[C@H](C)SCc2ccccc2)ccc1C(=O)[O-] ZINC000237524418 599914603 /nfs/dbraw/zinc/91/46/03/599914603.db2.gz UYDQHAVDMPCPQK-ZDUSSCGKSA-N -1 0 329.421 3.954 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000236966231 599915409 /nfs/dbraw/zinc/91/54/09/599915409.db2.gz PDTGLFKGRHTIKV-BIMQEMHKSA-N -1 0 325.408 3.559 20 0 EHADRM COc1ccc2c(CC(=O)Nc3ccc(C(=O)[O-])c(C)c3)coc2c1 ZINC000237271326 599917897 /nfs/dbraw/zinc/91/78/97/599917897.db2.gz FFERAPOTPVCEFJ-UHFFFAOYSA-N -1 0 339.347 3.629 20 0 EHADRM C[C@@H](CN(C(=O)c1ccc2c(c1)-c1ccccc1C2)C1CC1)C(=O)[O-] ZINC000736566080 599920901 /nfs/dbraw/zinc/92/09/01/599920901.db2.gz HQYSBCOYPSMUBU-ZDUSSCGKSA-N -1 0 335.403 3.583 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)/C=C\c2ccsc2)c1 ZINC000492141069 599922313 /nfs/dbraw/zinc/92/23/13/599922313.db2.gz RUFQKMXQVQSEKF-PLNGDYQASA-N -1 0 333.434 3.718 20 0 EHADRM O=C([O-])C1(NC(=O)c2ccc(-c3ccc(F)cc3)cc2F)CCCC1 ZINC000237978173 599927826 /nfs/dbraw/zinc/92/78/26/599927826.db2.gz IGWNPGFBVFPGPJ-UHFFFAOYSA-N -1 0 345.345 3.759 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000740027575 599929239 /nfs/dbraw/zinc/92/92/39/599929239.db2.gz WXTKDUNFWGYMIW-INIZCTEOSA-N -1 0 328.343 3.893 20 0 EHADRM COc1cc(Cl)ccc1C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000324341338 599931698 /nfs/dbraw/zinc/93/16/98/599931698.db2.gz DHANCXANMVUTEX-OAHLLOKOSA-N -1 0 347.798 3.685 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)CCc1ccc(Cl)cc1)c1ccccc1 ZINC000139311148 599934063 /nfs/dbraw/zinc/93/40/63/599934063.db2.gz RUCDURGWTCEZNW-KRWDZBQOSA-N -1 0 345.826 3.995 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)[C@H]1CCCc2ccccc21)c1ccccc1 ZINC000261614301 599934066 /nfs/dbraw/zinc/93/40/66/599934066.db2.gz FEJCRTDBYBHRRR-OALUTQOASA-N -1 0 337.419 3.829 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)C1(C)C ZINC000675980768 599935579 /nfs/dbraw/zinc/93/55/79/599935579.db2.gz BUCKTYHCRPHHQX-JFIYKMOQSA-N -1 0 329.440 3.947 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)/C=C\c1ccccc1F)c1ccccc1 ZINC000324252953 599936126 /nfs/dbraw/zinc/93/61/26/599936126.db2.gz UEBQEIHVZADAQQ-XSLBHYSZSA-N -1 0 327.355 3.561 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)c2cc3cc(C(=O)[O-])ccc3o2)c1C ZINC000736177659 599941003 /nfs/dbraw/zinc/94/10/03/599941003.db2.gz UFCWTWJIDXJDEQ-UHFFFAOYSA-N -1 0 325.320 3.510 20 0 EHADRM O=C([O-])c1cccc(OCCSCc2noc3c2CCCC3)c1 ZINC000740232142 599941579 /nfs/dbraw/zinc/94/15/79/599941579.db2.gz RCLQHBIWKYPTKU-UHFFFAOYSA-N -1 0 333.409 3.564 20 0 EHADRM CCn1c(C)cc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)c1C ZINC000237208072 599952382 /nfs/dbraw/zinc/95/23/82/599952382.db2.gz VOGZMCMGRGIYDK-UHFFFAOYSA-N -1 0 346.452 3.695 20 0 EHADRM CCC[C@@H](NC(=O)NCCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000263221642 599953009 /nfs/dbraw/zinc/95/30/09/599953009.db2.gz KUHCDKQVWQHLDU-CYBMUJFWSA-N -1 0 346.349 3.711 20 0 EHADRM O=C([O-])CSCc1cccc(Nc2cnc3ccccc3n2)c1 ZINC000739874604 599960230 /nfs/dbraw/zinc/96/02/30/599960230.db2.gz SOUNFEGBQRXQNF-UHFFFAOYSA-N -1 0 325.393 3.691 20 0 EHADRM Cc1cc(NCC(=O)Nc2ccc(F)c(Cl)c2)ccc1C(=O)[O-] ZINC000738460248 599962511 /nfs/dbraw/zinc/96/25/11/599962511.db2.gz PROHGGQRFHBDTH-UHFFFAOYSA-N -1 0 336.750 3.536 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)O[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000736684850 599965297 /nfs/dbraw/zinc/96/52/97/599965297.db2.gz NDAKHYCFIHGNQI-PELKAZGASA-N -1 0 334.199 3.890 20 0 EHADRM Cc1ccccc1C1(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC000738762202 599969257 /nfs/dbraw/zinc/96/92/57/599969257.db2.gz ZZENCEPIZXHPRY-UHFFFAOYSA-N -1 0 331.318 3.642 20 0 EHADRM C[C@@H](CC(=O)OCc1cn2cccc(C(=O)[O-])c2n1)C1CCCCC1 ZINC000736555880 599989777 /nfs/dbraw/zinc/98/97/77/599989777.db2.gz IQQWDKZCUOKSBC-ZDUSSCGKSA-N -1 0 344.411 3.682 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)c(C(=O)[O-])c1 ZINC000542518616 599996771 /nfs/dbraw/zinc/99/67/71/599996771.db2.gz XKHWPKSHKVAAHF-VXGBXAGGSA-N -1 0 331.318 3.714 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)OCc2ccccc2OC(F)F)c1 ZINC000740038329 599997512 /nfs/dbraw/zinc/99/75/12/599997512.db2.gz CMLPTHLCKLAXHK-UHFFFAOYSA-N -1 0 337.278 3.735 20 0 EHADRM C[C@@H](OC(=O)c1cccc(NC(=O)[O-])c1)C(=O)c1ccc(Cl)cc1 ZINC000736700723 599999360 /nfs/dbraw/zinc/99/93/60/599999360.db2.gz YLLYUBHQJRSWLI-SNVBAGLBSA-N -1 0 347.754 3.858 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC000738119948 600001768 /nfs/dbraw/zinc/00/17/68/600001768.db2.gz JWPZRCQFWZQRJE-FZKQIMNGSA-N -1 0 328.364 3.558 20 0 EHADRM CC[C@H](NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccc(C)cc1 ZINC000736913922 600013302 /nfs/dbraw/zinc/01/33/02/600013302.db2.gz IFCNPRHYWWDQHL-SFHVURJKSA-N -1 0 338.407 3.870 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000165574129 600013754 /nfs/dbraw/zinc/01/37/54/600013754.db2.gz SKPQRJSRNBECFH-CQSZACIVSA-N -1 0 337.375 3.831 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)O[C@@H]2CCCc3ccccc3C2=O)cc1 ZINC000738663641 600020306 /nfs/dbraw/zinc/02/03/06/600020306.db2.gz LPTXDFWQSUOSGO-MRXNPFEDSA-N -1 0 339.347 3.521 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)CCCc2ccc(Cl)c(Cl)c2)C1 ZINC000136116568 600022060 /nfs/dbraw/zinc/02/20/60/600022060.db2.gz IEXNPHMGMBHXFR-LBPRGKRZSA-N -1 0 344.238 3.639 20 0 EHADRM Cc1ccc(C(C)C)c(OCC(=O)Oc2cccc(CC(=O)[O-])c2)c1 ZINC000738552390 600025765 /nfs/dbraw/zinc/02/57/65/600025765.db2.gz QWCGYGSRXFAPLZ-UHFFFAOYSA-N -1 0 342.391 3.730 20 0 EHADRM Cc1cccc(C[C@@H](CNC(=O)Nc2cc(C)ccc2F)C(=O)[O-])c1 ZINC000738708860 600026244 /nfs/dbraw/zinc/02/62/44/600026244.db2.gz QCMLFBXADKBZPF-HNNXBMFYSA-N -1 0 344.386 3.508 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC000261607878 600026871 /nfs/dbraw/zinc/02/68/71/600026871.db2.gz DASSBGBYPQUUPJ-IYXRBSQSSA-N -1 0 334.416 3.629 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)c2[nH]c3ccccc3c2Cl)c1 ZINC000739888461 600028465 /nfs/dbraw/zinc/02/84/65/600028465.db2.gz MIOMZTGWBZVNNQ-UHFFFAOYSA-N -1 0 329.739 3.668 20 0 EHADRM COc1ccccc1C/C(C)=C\C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000738124207 600035291 /nfs/dbraw/zinc/03/52/91/600035291.db2.gz OOYGEFOIPHUMLY-QBFSEMIESA-N -1 0 339.391 3.829 20 0 EHADRM C[C@H]1c2ccsc2CCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000262680956 600035551 /nfs/dbraw/zinc/03/55/51/600035551.db2.gz ZTZMUDFQEBQFTE-LBPRGKRZSA-N -1 0 329.421 3.525 20 0 EHADRM CC(C)COc1ccc(CC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000736446486 600036362 /nfs/dbraw/zinc/03/63/62/600036362.db2.gz SZVQJFPUISDDAV-UHFFFAOYSA-N -1 0 345.370 3.740 20 0 EHADRM O=C([O-])c1cc(-c2csc(NC(=O)CC3=CCCCC3)n2)c[nH]1 ZINC000739218445 600037016 /nfs/dbraw/zinc/03/70/16/600037016.db2.gz LKGMXBUPFRLHGL-UHFFFAOYSA-N -1 0 331.397 3.665 20 0 EHADRM CCCCN(CC(F)(F)F)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000236723952 600038234 /nfs/dbraw/zinc/03/82/34/600038234.db2.gz GQKTZZQTDIKGIT-UHFFFAOYSA-N -1 0 331.334 3.508 20 0 EHADRM Cc1cc([C@H](C)NC(=O)CCc2ccc(C(=O)[O-])cc2)c(C)s1 ZINC000237615575 600038239 /nfs/dbraw/zinc/03/82/39/600038239.db2.gz WVVLHSCRLUHALL-LBPRGKRZSA-N -1 0 331.437 3.873 20 0 EHADRM Cc1csc(CCCCNC(=O)Nc2cccc(C(=O)[O-])c2C)n1 ZINC000738816983 600040222 /nfs/dbraw/zinc/04/02/22/600040222.db2.gz YYXXACXTBULXAX-UHFFFAOYSA-N -1 0 347.440 3.603 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N2CCc3ccc(Cl)cc32)cc1 ZINC000238059279 600042066 /nfs/dbraw/zinc/04/20/66/600042066.db2.gz YHRBZNSVGYEZSK-UHFFFAOYSA-N -1 0 329.783 3.560 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)NCCCc2ccc(Cl)cc2)cc1 ZINC000238064303 600043022 /nfs/dbraw/zinc/04/30/22/600043022.db2.gz HKWNNBJSLGPWOJ-UHFFFAOYSA-N -1 0 345.826 3.720 20 0 EHADRM Cc1nc(C)c([C@H](C)N(C)C(=O)CCc2ccc(C(=O)[O-])cc2)s1 ZINC000237593938 600044888 /nfs/dbraw/zinc/04/48/88/600044888.db2.gz MWSGLRZLHVGKDK-LBPRGKRZSA-N -1 0 346.452 3.610 20 0 EHADRM CCSCc1ccc(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000598670515 600045506 /nfs/dbraw/zinc/04/55/06/600045506.db2.gz WCWWGMRCAABESO-UHFFFAOYSA-N -1 0 341.432 3.794 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1ccc(SC(F)F)cc1)C2 ZINC000740200889 600047682 /nfs/dbraw/zinc/04/76/82/600047682.db2.gz MAKNLDIFRNJIJA-UHFFFAOYSA-N -1 0 349.358 3.856 20 0 EHADRM C[C@@H](C(=O)NC1CCC(C(=O)[O-])CC1)c1c(Cl)cccc1Cl ZINC000678302759 600050278 /nfs/dbraw/zinc/05/02/78/600050278.db2.gz JNQWEAYJBFNINA-KPPDAEKUSA-N -1 0 344.238 3.857 20 0 EHADRM Cc1cc(C(=O)[O-])c2sc(NC(=O)C3CCCCCC3)nc2n1 ZINC000738343243 600051514 /nfs/dbraw/zinc/05/15/14/600051514.db2.gz RTTRQPBZEKHGMG-UHFFFAOYSA-N -1 0 333.413 3.607 20 0 EHADRM O=C([O-])C1CCC(NC(=O)CCc2ccc3ccccc3c2)CC1 ZINC000261957804 600051897 /nfs/dbraw/zinc/05/18/97/600051897.db2.gz AIDSXJFTBBYQJA-UHFFFAOYSA-N -1 0 325.408 3.532 20 0 EHADRM CCN(C(=O)CCC(=O)[O-])[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000737053599 600053718 /nfs/dbraw/zinc/05/37/18/600053718.db2.gz UOBFTSDQMZZBEO-IBGZPJMESA-N -1 0 329.371 3.628 20 0 EHADRM O=C([O-])c1ccoc1CSc1ccccc1C(=O)OCC1CC1 ZINC000740296776 600056995 /nfs/dbraw/zinc/05/69/95/600056995.db2.gz DNZCAFHJWXTMOE-UHFFFAOYSA-N -1 0 332.377 3.837 20 0 EHADRM O=C([O-])c1cc(F)ccc1CSc1n[nH]c(Cc2cccs2)n1 ZINC000740077057 600058761 /nfs/dbraw/zinc/05/87/61/600058761.db2.gz CZRNDYQPJQTOCT-UHFFFAOYSA-N -1 0 349.412 3.587 20 0 EHADRM O=C([O-])c1cc(F)ccc1CSc1nc2cc(F)c(F)cc2[nH]1 ZINC000740078309 600058779 /nfs/dbraw/zinc/05/87/79/600058779.db2.gz RMJHBPKROPGTQA-UHFFFAOYSA-N -1 0 338.310 3.971 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)[C@@H]2CC2(Cl)Cl)c1 ZINC000238212721 600067467 /nfs/dbraw/zinc/06/74/67/600067467.db2.gz ITBOLCWUZPBNMU-NSHDSACASA-N -1 0 348.251 3.527 20 0 EHADRM CC[C@H](CC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)c1ccccc1 ZINC000236940188 600069519 /nfs/dbraw/zinc/06/95/19/600069519.db2.gz VOZGIZPTHPPAOQ-GFCCVEGCSA-N -1 0 337.379 3.784 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000738122065 600073594 /nfs/dbraw/zinc/07/35/94/600073594.db2.gz XMVNBDULQPSQLQ-PKNBQFBNSA-N -1 0 329.327 3.575 20 0 EHADRM COc1ccc(CCCCCC(=O)N2CCCC[C@@H]2CC(=O)[O-])cc1 ZINC000679394690 600075175 /nfs/dbraw/zinc/07/51/75/600075175.db2.gz RFHCTIITXCNNFK-QGZVFWFLSA-N -1 0 347.455 3.654 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OCC(=O)Nc1ccc2c(c1)CCC2 ZINC000013083673 600080336 /nfs/dbraw/zinc/08/03/36/600080336.db2.gz BNELZQJRKUEWIX-UHFFFAOYSA-N -1 0 345.782 3.544 20 0 EHADRM COc1ccc(COc2ccc(Cl)cc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000390411965 600080656 /nfs/dbraw/zinc/08/06/56/600080656.db2.gz LPSQZFHJEJFRNM-UHFFFAOYSA-N -1 0 337.715 3.534 20 0 EHADRM COc1ccc(C2(NC(=O)Nc3cc(C(=O)[O-])ccc3C)CC2)cc1 ZINC000737983070 600085728 /nfs/dbraw/zinc/08/57/28/600085728.db2.gz PUJMPTHKKJYTTJ-UHFFFAOYSA-N -1 0 340.379 3.513 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2ccc3ncsc3c2)ccc1F ZINC000740011398 600090230 /nfs/dbraw/zinc/09/02/30/600090230.db2.gz CGEZWTSYCRDUTK-UHFFFAOYSA-N -1 0 331.328 3.778 20 0 EHADRM Cc1c(NC(=O)N(C)CCc2ccccc2F)cccc1C(=O)[O-] ZINC000738299944 600096101 /nfs/dbraw/zinc/09/61/01/600096101.db2.gz RFYBTBRQHLYBQH-UHFFFAOYSA-N -1 0 330.359 3.539 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(Cc1csc(-c3ccco3)n1)C2 ZINC000321746390 600110242 /nfs/dbraw/zinc/11/02/42/600110242.db2.gz OEWXYAAGPSCQMC-UHFFFAOYSA-N -1 0 326.377 3.617 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)CCc1c[nH]c2ccccc12 ZINC000739251006 600111118 /nfs/dbraw/zinc/11/11/18/600111118.db2.gz DGYQERSIRCUUGP-UHFFFAOYSA-N -1 0 341.338 3.681 20 0 EHADRM O=C([O-])c1ccc(-c2noc(CCc3ccc(Cl)s3)n2)cc1 ZINC000740101498 600111791 /nfs/dbraw/zinc/11/17/91/600111791.db2.gz OGGWSOLGOJGFOT-UHFFFAOYSA-N -1 0 334.784 3.935 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000326817883 600113230 /nfs/dbraw/zinc/11/32/30/600113230.db2.gz HFHDKHYEPZCQDW-UHFFFAOYSA-N -1 0 340.379 3.720 20 0 EHADRM O=C([O-])C1CCC(NC(=O)Nc2ccc(F)cc2C(F)(F)F)CC1 ZINC000263491863 600114623 /nfs/dbraw/zinc/11/46/23/600114623.db2.gz PCVHRQQDQIXSRD-UHFFFAOYSA-N -1 0 348.296 3.609 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000737733072 600115082 /nfs/dbraw/zinc/11/50/82/600115082.db2.gz GPEPHSUVTYSQDA-GFCCVEGCSA-N -1 0 340.379 3.640 20 0 EHADRM CC(C)Cc1nc(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)cs1 ZINC000736452639 600115428 /nfs/dbraw/zinc/11/54/28/600115428.db2.gz CLASMQBSKHEUHK-UHFFFAOYSA-N -1 0 329.381 3.757 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)c1c[nH]nc1C1CCCCC1 ZINC000740078903 600117924 /nfs/dbraw/zinc/11/79/24/600117924.db2.gz XDWWFVGTIGMKNO-UHFFFAOYSA-N -1 0 346.358 3.652 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)[C@H](C)Cc1ccc(F)cc1 ZINC000736185847 600122678 /nfs/dbraw/zinc/12/26/78/600122678.db2.gz GJOBWMLIJWTJGV-LLVKDONJSA-N -1 0 344.338 3.511 20 0 EHADRM Cc1ccccc1NCCC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000738778244 600123213 /nfs/dbraw/zinc/12/32/13/600123213.db2.gz OXLKRYNUBFROSO-UHFFFAOYSA-N -1 0 331.347 3.665 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000740189741 600126573 /nfs/dbraw/zinc/12/65/73/600126573.db2.gz SRDAEOPHZFCFPM-UHFFFAOYSA-N -1 0 332.359 3.583 20 0 EHADRM CC(C)N(C(=O)CNc1ccc(F)c(NC(=O)[O-])c1)c1ccccc1 ZINC000736454538 600126624 /nfs/dbraw/zinc/12/66/24/600126624.db2.gz JAIICIVAKQOGQP-UHFFFAOYSA-N -1 0 345.374 3.769 20 0 EHADRM CC[C@@](NC(=O)/C=C\c1ccc(Cl)s1)(C(=O)[O-])c1ccccc1 ZINC000736907090 600127724 /nfs/dbraw/zinc/12/77/24/600127724.db2.gz NNWBRUPAQVSOOK-CCCPALQASA-N -1 0 349.839 3.921 20 0 EHADRM CC[C@](NC(=O)/C=C/c1ccc(Cl)cc1)(C(=O)[O-])c1ccccc1 ZINC000736907119 600132465 /nfs/dbraw/zinc/13/24/65/600132465.db2.gz NYKURUXBFXSTJN-YFPIXMDGSA-N -1 0 343.810 3.860 20 0 EHADRM Cc1ccc(OC(=O)COc2ccc(C(C)C)cc2)c(C(=O)[O-])c1 ZINC000738641412 600133764 /nfs/dbraw/zinc/13/37/64/600133764.db2.gz RHBGDJYNIHKIGK-UHFFFAOYSA-N -1 0 328.364 3.801 20 0 EHADRM O=C([O-])CCCNC(=S)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000739681429 600149519 /nfs/dbraw/zinc/14/95/19/600149519.db2.gz NPILETXZBKZPJT-HNNXBMFYSA-N -1 0 340.876 3.510 20 0 EHADRM CCCc1ccc(C(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000486387106 600159038 /nfs/dbraw/zinc/15/90/38/600159038.db2.gz IKISTFAVHPBPJD-GOSISDBHSA-N -1 0 325.408 3.546 20 0 EHADRM C[C@H](NC(=O)C(C)(C)NC(=O)[O-])c1ccccc1Oc1ccccc1 ZINC000736632961 600160410 /nfs/dbraw/zinc/16/04/10/600160410.db2.gz IBAFBHDETJECIH-ZDUSSCGKSA-N -1 0 342.395 3.702 20 0 EHADRM O=C([O-])CCCCNC(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000666527239 600163308 /nfs/dbraw/zinc/16/33/08/600163308.db2.gz VUGOUECGQYOXPR-INIZCTEOSA-N -1 0 338.835 3.735 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)N[C@H](C)c1cc2ccccc2s1 ZINC000736422105 600166441 /nfs/dbraw/zinc/16/64/41/600166441.db2.gz OZYJTZYKLFKGGS-DGCLKSJQSA-N -1 0 334.441 3.761 20 0 EHADRM Cc1cc(NC(=O)c2ccc(OC3CCCC3)cc2)c(C(=O)[O-])[nH]1 ZINC000738449203 600169847 /nfs/dbraw/zinc/16/98/47/600169847.db2.gz VVVBKTIGPKZNOI-UHFFFAOYSA-N -1 0 328.368 3.595 20 0 EHADRM O=C([O-])CCCc1nc(CSc2cccc(C(F)(F)F)c2)no1 ZINC000739701505 600182996 /nfs/dbraw/zinc/18/29/96/600182996.db2.gz DHMGJXHLUBJLLX-UHFFFAOYSA-N -1 0 346.330 3.788 20 0 EHADRM O=C([O-])CCCc1nc(CS[C@H]2CCCc3ccccc32)no1 ZINC000739701419 600187738 /nfs/dbraw/zinc/18/77/38/600187738.db2.gz DKPYMRXUEMMETK-AWEZNQCLSA-N -1 0 332.425 3.788 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=S)Nc2cccc(Cl)c2)c2ccccc21 ZINC000739615759 600189220 /nfs/dbraw/zinc/18/92/20/600189220.db2.gz MJWKLSOEBMDURZ-CYBMUJFWSA-N -1 0 332.812 3.725 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)c1cc(-c2ccccc2)ccc1Cl ZINC000236827002 600195470 /nfs/dbraw/zinc/19/54/70/600195470.db2.gz CRFSYGFJLTXJGL-UHFFFAOYSA-N -1 0 331.799 3.944 20 0 EHADRM CC(C)c1ccc(-c2ncc(COC(=O)CCNC(=O)[O-])s2)cc1 ZINC000736515687 600203412 /nfs/dbraw/zinc/20/34/12/600203412.db2.gz QBPHVRSCQXUNPU-UHFFFAOYSA-N -1 0 348.424 3.634 20 0 EHADRM CC(C)[C@@H](NC(=O)[O-])C(=O)OCc1csc(C2CCCCC2)n1 ZINC000736384884 600210107 /nfs/dbraw/zinc/21/01/07/600210107.db2.gz KJZRTUBQRFWAFP-CYBMUJFWSA-N -1 0 340.445 3.526 20 0 EHADRM CCc1[nH]c(C(=O)N2CCCC[C@H]2c2ccco2)c(C)c1C(=O)[O-] ZINC000737243526 600210375 /nfs/dbraw/zinc/21/03/75/600210375.db2.gz YIOJMRZMANIBQY-ZDUSSCGKSA-N -1 0 330.384 3.544 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc(Cl)c2)c(OC(F)F)c1 ZINC000740157477 600212488 /nfs/dbraw/zinc/21/24/88/600212488.db2.gz ZHPIDCVCFGNKKA-UHFFFAOYSA-N -1 0 341.697 3.892 20 0 EHADRM CN(Cc1coc(-c2ccc(F)cc2)n1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737496704 600213097 /nfs/dbraw/zinc/21/30/97/600213097.db2.gz GNDPJAQUMAFSCX-QGZVFWFLSA-N -1 0 340.354 3.738 20 0 EHADRM Cc1ccc(C)c(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)c1 ZINC000738573683 600213398 /nfs/dbraw/zinc/21/33/98/600213398.db2.gz STESDHOZJNSNDC-UHFFFAOYSA-N -1 0 335.306 3.855 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)c2ccccc21 ZINC000249391524 600218862 /nfs/dbraw/zinc/21/88/62/600218862.db2.gz BROSXIJRUAPTJB-ARFHVFGLSA-N -1 0 341.794 3.659 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)/C=C/Sc2ccccc2)c2ccccc21 ZINC000739603508 600226118 /nfs/dbraw/zinc/22/61/18/600226118.db2.gz DINJCQXNPOKWDA-AUECHBEKSA-N -1 0 325.389 3.507 20 0 EHADRM CCOC(=O)Nc1ccc(NC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000737147651 600227735 /nfs/dbraw/zinc/22/77/35/600227735.db2.gz XSAMSLWCKQBNPM-UHFFFAOYSA-N -1 0 343.339 3.597 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)Nc2cccc(-n3cccn3)c2)c1 ZINC000740040417 600230048 /nfs/dbraw/zinc/23/00/48/600230048.db2.gz FLQOTBYBVWVZCQ-UHFFFAOYSA-N -1 0 337.339 3.606 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3CCC[C@H]3C(=O)[O-])c(F)c2)cc1C ZINC000237712957 600236348 /nfs/dbraw/zinc/23/63/48/600236348.db2.gz MLJCAMBGOKQPDG-SFHVURJKSA-N -1 0 341.382 3.799 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N3CC[C@H](c4ccco4)C3)c12 ZINC000649389093 600239241 /nfs/dbraw/zinc/23/92/41/600239241.db2.gz FKIQZMCZSJQEMJ-NSHDSACASA-N -1 0 343.408 3.593 20 0 EHADRM Cc1csc(C(C)(C)NC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)n1 ZINC000738337374 600241101 /nfs/dbraw/zinc/24/11/01/600241101.db2.gz VNQAJQPWYLWYDY-UHFFFAOYSA-N -1 0 348.428 3.623 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)N2CCC[C@@H]2c2ccco2)cc1 ZINC000739740006 600241431 /nfs/dbraw/zinc/24/14/31/600241431.db2.gz RZJUTISJMDPAHQ-OAHLLOKOSA-N -1 0 344.367 3.502 20 0 EHADRM C[C@H](Oc1cccc(F)c1)c1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000736704593 600245104 /nfs/dbraw/zinc/24/51/04/600245104.db2.gz UCMACMQDNRKSAR-JTQLQIEISA-N -1 0 328.299 3.714 20 0 EHADRM O=C([O-])c1ccc(CCc2nc(-c3ccccc3Cl)no2)cc1 ZINC000740124643 600246657 /nfs/dbraw/zinc/24/66/57/600246657.db2.gz YHOSCWZUWDUNAS-UHFFFAOYSA-N -1 0 328.755 3.873 20 0 EHADRM CCc1cccc(CC)c1NC(=S)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000737266280 600247850 /nfs/dbraw/zinc/24/78/50/600247850.db2.gz AAUZJSFPQMVCSA-OAHLLOKOSA-N -1 0 346.496 3.695 20 0 EHADRM CC(C)c1ccc(NC(=S)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000736515525 600248379 /nfs/dbraw/zinc/24/83/79/600248379.db2.gz OWDFCBPYKRBMQE-HNNXBMFYSA-N -1 0 332.469 3.694 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)CCc1cc(Cl)cs1 ZINC000738084910 600249324 /nfs/dbraw/zinc/24/93/24/600249324.db2.gz JEPXJIOMZKNIRE-UHFFFAOYSA-N -1 0 340.784 3.647 20 0 EHADRM CCCc1cc(C(=O)Oc2c(OC)cccc2C(=O)[O-])sc1C ZINC000737045514 600249951 /nfs/dbraw/zinc/24/99/51/600249951.db2.gz UXYVTEQRXGHPHZ-UHFFFAOYSA-N -1 0 334.393 3.935 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)/C=C/Sc1ccccc1 ZINC000738086462 600250323 /nfs/dbraw/zinc/25/03/23/600250323.db2.gz XJEPMOZPWRGVBA-ZHACJKMWSA-N -1 0 330.361 3.605 20 0 EHADRM O=C([O-])NCCCC(=O)N(Cc1cc(F)ccc1F)c1ccccc1 ZINC000739950804 600252529 /nfs/dbraw/zinc/25/25/29/600252529.db2.gz OATIAXVLKRNVKD-UHFFFAOYSA-N -1 0 348.349 3.546 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)c(C(=O)[O-])[nH]1 ZINC000738421945 600252713 /nfs/dbraw/zinc/25/27/13/600252713.db2.gz ILBAHHKOXLQRPN-HZPDHXFCSA-N -1 0 334.375 3.917 20 0 EHADRM Cc1cc(NC(=O)c2sc(-c3ccccc3)nc2C)c(C(=O)[O-])[nH]1 ZINC000738452487 600254157 /nfs/dbraw/zinc/25/41/57/600254157.db2.gz POASECVGWKRQPM-UHFFFAOYSA-N -1 0 341.392 3.706 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)NCCCc1ccc(C(C)C)cc1 ZINC000736417527 600259307 /nfs/dbraw/zinc/25/93/07/600259307.db2.gz VJXDXUSLRPOLME-QGZVFWFLSA-N -1 0 334.460 3.541 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)CCc1cc(Cl)cs1 ZINC000738963045 600272531 /nfs/dbraw/zinc/27/25/31/600272531.db2.gz GHRUYADFBQRKDC-UHFFFAOYSA-N -1 0 328.773 3.677 20 0 EHADRM Cc1cccc(C2(C(=O)N3CCC4(C[C@H]4C(=O)[O-])CC3)CCCC2)c1 ZINC000262465541 600274808 /nfs/dbraw/zinc/27/48/08/600274808.db2.gz RHAOQGRUVHEPDH-KRWDZBQOSA-N -1 0 341.451 3.520 20 0 EHADRM Cc1cccc(C(C)(C)NC(=O)Nc2cccc(OCC(=O)[O-])c2)c1 ZINC000738306946 600276565 /nfs/dbraw/zinc/27/65/65/600276565.db2.gz HKSOBVZTPNURTH-UHFFFAOYSA-N -1 0 342.395 3.515 20 0 EHADRM CCOc1ccc(NC(=S)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000737203488 600280253 /nfs/dbraw/zinc/28/02/53/600280253.db2.gz NJCGIZMEDHAUDA-UHFFFAOYSA-N -1 0 345.424 3.662 20 0 EHADRM CC[C@H]1CCCN(C(=O)c2ccccc2S[C@@H](C)C(=O)[O-])CC1 ZINC000262060191 600281298 /nfs/dbraw/zinc/28/12/98/600281298.db2.gz CZMRDLIFTYPFJW-KBPBESRZSA-N -1 0 335.469 3.904 20 0 EHADRM CO[C@@H](CNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1ccccc1 ZINC000737734308 600282482 /nfs/dbraw/zinc/28/24/82/600282482.db2.gz OMRHWIBPKJEOCT-HNNXBMFYSA-N -1 0 348.786 3.547 20 0 EHADRM Cc1ccccc1C(C)(C)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000738756551 600289630 /nfs/dbraw/zinc/28/96/30/600289630.db2.gz MISSOKYBGPEAFG-UHFFFAOYSA-N -1 0 326.396 3.679 20 0 EHADRM Cc1csc([C@H](C)NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)n1 ZINC000317647244 600290441 /nfs/dbraw/zinc/29/04/41/600290441.db2.gz YVCPTZNYWPEPOT-QMMMGPOBSA-N -1 0 339.804 3.686 20 0 EHADRM CC(C)(CNC(=O)c1ccc(NC(=O)[O-])cc1)Cc1ccccc1 ZINC000736322192 600298131 /nfs/dbraw/zinc/29/81/31/600298131.db2.gz RMPKLJIRMZAACQ-UHFFFAOYSA-N -1 0 326.396 3.775 20 0 EHADRM CCOc1ccccc1NC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000737219610 600334298 /nfs/dbraw/zinc/33/42/98/600334298.db2.gz YOIWDDIREPBSTH-UHFFFAOYSA-N -1 0 343.383 3.839 20 0 EHADRM CC[C@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc(C(=O)[O-])cc1 ZINC000236959217 600335992 /nfs/dbraw/zinc/33/59/92/600335992.db2.gz FRDOHFPYKLDJRZ-WHWKNOJMSA-N -1 0 341.432 3.996 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)NC[C@@H]2CCc3ccccc3C2)c1 ZINC000740043170 600337572 /nfs/dbraw/zinc/33/75/72/600337572.db2.gz PFYSVUMCRKGFPO-CYBMUJFWSA-N -1 0 339.395 3.703 20 0 EHADRM CCOc1cccc(NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)c1 ZINC000737213172 600338022 /nfs/dbraw/zinc/33/80/22/600338022.db2.gz MGTRVLJBOBOHHH-UHFFFAOYSA-N -1 0 343.383 3.839 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)c1cccs1 ZINC000736647879 600343722 /nfs/dbraw/zinc/34/37/22/600343722.db2.gz BHKNIZQQJLKRQR-NSHDSACASA-N -1 0 333.413 3.741 20 0 EHADRM CC[C@@H]1CCCN(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)CC1 ZINC000736937792 600343788 /nfs/dbraw/zinc/34/37/88/600343788.db2.gz AKNUZCLSXPVXEA-CQSZACIVSA-N -1 0 333.432 3.840 20 0 EHADRM CN(Cc1ccc(NC(=O)N2CCC[C@H]2c2ccco2)cc1)C(=O)[O-] ZINC000737482424 600346237 /nfs/dbraw/zinc/34/62/37/600346237.db2.gz MDUAKWYCYSLWKG-HNNXBMFYSA-N -1 0 343.383 3.758 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000736648833 600351216 /nfs/dbraw/zinc/35/12/16/600351216.db2.gz LRTZQPPPJKCEOM-NSHDSACASA-N -1 0 347.802 3.990 20 0 EHADRM C[C@@H](c1ccccc1)N(C)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736724806 600352051 /nfs/dbraw/zinc/35/20/51/600352051.db2.gz PRROCRJQLFWRQQ-ZDUSSCGKSA-N -1 0 327.384 3.679 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(CNC(=O)[O-])cc2)c2ccccc21 ZINC000736809366 600356817 /nfs/dbraw/zinc/35/68/17/600356817.db2.gz FGNKMRLHMVVHQV-GFCCVEGCSA-N -1 0 325.368 3.610 20 0 EHADRM CC(C)[C@H](NC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccccc1 ZINC000736360708 600357607 /nfs/dbraw/zinc/35/76/07/600357607.db2.gz RLPIDIBBPFCCEW-KRWDZBQOSA-N -1 0 341.411 3.973 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000736625854 600367690 /nfs/dbraw/zinc/36/76/90/600367690.db2.gz HWBACHRKKLGQMR-JTQLQIEISA-N -1 0 335.762 3.995 20 0 EHADRM Cc1cc(NC(=O)c2cc(-c3ccccc3)no2)sc1C(=O)[O-] ZINC000320032661 600370362 /nfs/dbraw/zinc/37/03/62/600370362.db2.gz PIQMEIOADZWVQE-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM Cc1cc(NC(=O)c2cn(C)nc2C2CCCCC2)sc1C(=O)[O-] ZINC000738239633 600370738 /nfs/dbraw/zinc/37/07/38/600370738.db2.gz IRGJSEOJFYUPMV-UHFFFAOYSA-N -1 0 347.440 3.788 20 0 EHADRM O=C([O-])c1sc2ccccc2c1COC(=O)CC[C@H]1CCCCO1 ZINC000739236285 600370778 /nfs/dbraw/zinc/37/07/78/600370778.db2.gz QLFCUOPLRDCPSE-GFCCVEGCSA-N -1 0 348.420 3.992 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)CCc1ccc(F)cc1)c1ccccc1 ZINC000736846344 600378788 /nfs/dbraw/zinc/37/87/88/600378788.db2.gz GNJHDLNRCUMAAT-KRWDZBQOSA-N -1 0 329.371 3.655 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@H](C)Oc1cccc(C)c1)c1ccccc1 ZINC000736850630 600379427 /nfs/dbraw/zinc/37/94/27/600379427.db2.gz XNCIXXLIJQPNAS-MAUKXSAKSA-N -1 0 341.407 3.659 20 0 EHADRM CC[C@H](CC(=O)N(C)c1nc(CC(=O)[O-])cs1)c1ccc(C)cc1 ZINC000736893009 600379486 /nfs/dbraw/zinc/37/94/86/600379486.db2.gz RSLVAMRXHCTRMJ-CYBMUJFWSA-N -1 0 346.452 3.625 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)N(CC(=O)[O-])c2ccccc2)cc1 ZINC000737256292 600380245 /nfs/dbraw/zinc/38/02/45/600380245.db2.gz GFQGOKMDLCFENJ-HNNXBMFYSA-N -1 0 325.408 3.860 20 0 EHADRM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000736823811 600381067 /nfs/dbraw/zinc/38/10/67/600381067.db2.gz CPINNWQBLWBTEW-BZNIZROVSA-N -1 0 325.368 3.832 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)c1cc2cc(F)ccc2o1 ZINC000739723618 600381647 /nfs/dbraw/zinc/38/16/47/600381647.db2.gz PDBYTYFAGNIOPW-UHFFFAOYSA-N -1 0 341.338 3.689 20 0 EHADRM CN(Cc1cccc(Cl)c1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000320464191 600381918 /nfs/dbraw/zinc/38/19/18/600381918.db2.gz ZYMINEDGBIIJFH-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccccc1 ZINC000736861870 600382114 /nfs/dbraw/zinc/38/21/14/600382114.db2.gz SMMWKOPOTLKQPE-GOSISDBHSA-N -1 0 330.359 3.971 20 0 EHADRM CC(C)(C)c1nc(C(=O)NCCc2ccc(NC(=O)[O-])cc2)cs1 ZINC000736300017 600382345 /nfs/dbraw/zinc/38/23/45/600382345.db2.gz QGSQQXSAPYYANK-UHFFFAOYSA-N -1 0 347.440 3.503 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)Nc1cc(Cl)ccn1)C(=O)[O-] ZINC000736719073 600383947 /nfs/dbraw/zinc/38/39/47/600383947.db2.gz XMRAKZUQJAKCEH-SECBINFHSA-N -1 0 336.800 3.553 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000236579875 600384470 /nfs/dbraw/zinc/38/44/70/600384470.db2.gz OMEGJKXIHZCUMK-UHFFFAOYSA-N -1 0 335.787 3.973 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@H](C)Cc1cccc(F)c1)c1ccccc1 ZINC000736845347 600385145 /nfs/dbraw/zinc/38/51/45/600385145.db2.gz BCJGQJLBUPEGNV-KDOFPFPSSA-N -1 0 343.398 3.901 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)c2ccc3ccccc3c2)cc1 ZINC000740019708 600386501 /nfs/dbraw/zinc/38/65/01/600386501.db2.gz HLMYXNYHKBGNIK-UHFFFAOYSA-N -1 0 334.375 3.902 20 0 EHADRM Cc1ccc(C[C@@H](C)N(C)C(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000237507426 600389541 /nfs/dbraw/zinc/38/95/41/600389541.db2.gz XHPXFKWZLXUVRT-MRXNPFEDSA-N -1 0 339.435 3.715 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1nc(C)cs1 ZINC000736914907 600389796 /nfs/dbraw/zinc/38/97/96/600389796.db2.gz WTNQEGVHLORTJH-GFCCVEGCSA-N -1 0 337.376 3.562 20 0 EHADRM CCc1ccc([C@@H]2CCCN2C(=O)c2ccc(NC(=O)[O-])cc2)o1 ZINC000737258314 600390141 /nfs/dbraw/zinc/39/01/41/600390141.db2.gz BSQIXMWCXWPVOJ-HNNXBMFYSA-N -1 0 328.368 3.909 20 0 EHADRM CCc1[nH]c(C(=O)Nc2nc3ccsc3s2)c(C)c1C(=O)[O-] ZINC000737245576 600391103 /nfs/dbraw/zinc/39/11/03/600391103.db2.gz KPOGVSYPYAEIBJ-UHFFFAOYSA-N -1 0 335.410 3.507 20 0 EHADRM CCCc1c(C(=O)N[C@H]2CSc3ccccc32)[nH]c(C)c1C(=O)[O-] ZINC000737039657 600395925 /nfs/dbraw/zinc/39/59/25/600395925.db2.gz GOVHXJIOELXSJE-ZDUSSCGKSA-N -1 0 344.436 3.551 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2)c(F)c1 ZINC000740147626 600398004 /nfs/dbraw/zinc/39/80/04/600398004.db2.gz NTVJPDGTEDAZJV-MRXNPFEDSA-N -1 0 328.343 3.893 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(C(=O)C1(c3cccs3)CCCCC1)CC2 ZINC000262409946 600399637 /nfs/dbraw/zinc/39/96/37/600399637.db2.gz IVLWIDUDFDBQRO-AWEZNQCLSA-N -1 0 347.480 3.663 20 0 EHADRM Cc1ccc(SCCNC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000738668253 600400192 /nfs/dbraw/zinc/40/01/92/600400192.db2.gz RUYUBTDSPKTAIW-UHFFFAOYSA-N -1 0 348.399 3.746 20 0 EHADRM CCOc1ccccc1[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000737212281 600400229 /nfs/dbraw/zinc/40/02/29/600400229.db2.gz FXYMSYHYNJMJRO-LLVKDONJSA-N -1 0 346.358 3.805 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CNC(=O)Nc2ccc(C(=O)[O-])cc2F)o1 ZINC000736767246 600403478 /nfs/dbraw/zinc/40/34/78/600403478.db2.gz YPQQFIPMRNWBJL-CABZTGNLSA-N -1 0 332.331 3.562 20 0 EHADRM Cc1nc(=O)[nH]c(SCCc2ccc3ccccc3c2)c1C(=O)[O-] ZINC000738231446 600403523 /nfs/dbraw/zinc/40/35/23/600403523.db2.gz ZUFJTXQWFCVBMF-UHFFFAOYSA-N -1 0 340.404 3.677 20 0 EHADRM CC(C)CN(C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)C1CC1 ZINC000736438602 600408185 /nfs/dbraw/zinc/40/81/85/600408185.db2.gz VHYYTAWWAMNVTK-UHFFFAOYSA-N -1 0 342.342 3.639 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC000486404373 600413967 /nfs/dbraw/zinc/41/39/67/600413967.db2.gz LUQYNPQPLGZQMA-WMZOPIPTSA-N -1 0 331.456 3.886 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000736188318 600421764 /nfs/dbraw/zinc/42/17/64/600421764.db2.gz CMDWSIIXZLXYLJ-UHFFFAOYSA-N -1 0 349.342 3.802 20 0 EHADRM COC(=O)Nc1cccc(N[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000737643904 600425727 /nfs/dbraw/zinc/42/57/27/600425727.db2.gz RTYJXRKJBZTMKB-AWEZNQCLSA-N -1 0 334.759 3.756 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ncoc2-c2ccccc2)ccc1Cl ZINC000676002321 600426127 /nfs/dbraw/zinc/42/61/27/600426127.db2.gz RSASVEAULMNGLU-UHFFFAOYSA-N -1 0 342.738 3.946 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC000736716356 600426788 /nfs/dbraw/zinc/42/67/88/600426788.db2.gz LBZQYHYWIWWQRJ-SECBINFHSA-N -1 0 336.800 3.553 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)c1 ZINC000740242902 600429224 /nfs/dbraw/zinc/42/92/24/600429224.db2.gz WCULOWTVYAKMDD-DLBZAZTESA-N -1 0 332.359 3.675 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC000738553609 600431873 /nfs/dbraw/zinc/43/18/73/600431873.db2.gz WZKYANBMATWVLJ-CYBMUJFWSA-N -1 0 342.395 3.618 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1sccc1-n1cccc1)c1ccc(F)cc1 ZINC000740288487 600447661 /nfs/dbraw/zinc/44/76/61/600447661.db2.gz AWZIPRAEAKLSQD-AWEZNQCLSA-N -1 0 345.351 3.661 20 0 EHADRM Cc1ccccc1OCCCC(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738784790 600449391 /nfs/dbraw/zinc/44/93/91/600449391.db2.gz OTBOQPDUABSKPB-SFHVURJKSA-N -1 0 346.354 3.662 20 0 EHADRM Cc1c(NC(=O)N(C)[C@H]2CCc3ccccc3C2)cccc1C(=O)[O-] ZINC000738299094 600455505 /nfs/dbraw/zinc/45/55/05/600455505.db2.gz HIXGRBRQHDVZJL-INIZCTEOSA-N -1 0 338.407 3.714 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736616804 600456381 /nfs/dbraw/zinc/45/63/81/600456381.db2.gz AYGUJOVCYAWUBN-LRDDRELGSA-N -1 0 348.395 3.923 20 0 EHADRM Cc1cc(F)cc2[nH]c(C(=O)O[C@H](C(=O)[O-])c3ccc(F)cc3)cc21 ZINC000738397573 600457533 /nfs/dbraw/zinc/45/75/33/600457533.db2.gz SYGGLUAXJYNHIM-INIZCTEOSA-N -1 0 345.301 3.737 20 0 EHADRM CN(CC1CCCCC1)C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000737409870 600462205 /nfs/dbraw/zinc/46/22/05/600462205.db2.gz LURKLKCRRPHQFY-UHFFFAOYSA-N -1 0 333.432 3.541 20 0 EHADRM Cc1cccc([C@@H]2CCCCCN2C(=O)NCCCCC(=O)[O-])c1 ZINC000666562755 600465270 /nfs/dbraw/zinc/46/52/70/600465270.db2.gz VYFDCAJGIUAMCW-KRWDZBQOSA-N -1 0 332.444 3.877 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)N1CCC(CC(=O)[O-])CC1)C(C)C ZINC000738320613 600470928 /nfs/dbraw/zinc/47/09/28/600470928.db2.gz JTFKPBHCQUMNRY-SFHVURJKSA-N -1 0 332.444 3.588 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)N1CCC(CC(=O)[O-])CC1)C(C)C ZINC000738320609 600470964 /nfs/dbraw/zinc/47/09/64/600470964.db2.gz JTFKPBHCQUMNRY-GOSISDBHSA-N -1 0 332.444 3.588 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)[C@H]2CSc3ccccc32)c1 ZINC000317693262 600474648 /nfs/dbraw/zinc/47/46/48/600474648.db2.gz JREPGLPGHFVJNP-NSHDSACASA-N -1 0 333.796 3.866 20 0 EHADRM O=C([O-])c1ccc(OC(=O)[C@@H]2CSc3ccccc32)c(Cl)c1 ZINC000740162332 600475147 /nfs/dbraw/zinc/47/51/47/600475147.db2.gz YPYMDTWJFVZGTF-LLVKDONJSA-N -1 0 334.780 3.833 20 0 EHADRM C[C@@H](Oc1cccc(F)c1)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000237532345 600477909 /nfs/dbraw/zinc/47/79/09/600477909.db2.gz WUZONCDBBIJPHK-SECBINFHSA-N -1 0 337.734 3.583 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000236997680 600478441 /nfs/dbraw/zinc/47/84/41/600478441.db2.gz QXDRDSOTTWAINL-AWEZNQCLSA-N -1 0 325.792 3.715 20 0 EHADRM CC(C)c1cc(C(=O)NCc2ccc(C(=O)[O-])o2)c2ccccc2n1 ZINC000431511572 600478780 /nfs/dbraw/zinc/47/87/80/600478780.db2.gz BECYOLZETJFWLR-UHFFFAOYSA-N -1 0 338.363 3.579 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)s1 ZINC000738269513 600478995 /nfs/dbraw/zinc/47/89/95/600478995.db2.gz OGWIQQQBYGGCEX-NSHDSACASA-N -1 0 347.440 3.923 20 0 EHADRM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])o1)c1c(Cl)cccc1Cl ZINC000678983276 600479884 /nfs/dbraw/zinc/47/98/84/600479884.db2.gz QLTZILAYRARXBR-MRVPVSSYSA-N -1 0 342.178 3.705 20 0 EHADRM CSc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)o1 ZINC000738200128 600480052 /nfs/dbraw/zinc/48/00/52/600480052.db2.gz TWJJZKCNLLXMHT-UHFFFAOYSA-N -1 0 343.307 3.553 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)/C=C/c2cccs2)cc1 ZINC000181875750 600480628 /nfs/dbraw/zinc/48/06/28/600480628.db2.gz ZSRIFXVQHOOILO-MDZDMXLPSA-N -1 0 331.393 3.644 20 0 EHADRM C/C(=C\C(=O)Nc1ccc(OCCCC(=O)[O-])cc1)c1ccccc1 ZINC000736121840 600482515 /nfs/dbraw/zinc/48/25/15/600482515.db2.gz UZQUSXFSRQOHKL-CCEZHUSRSA-N -1 0 339.391 3.972 20 0 EHADRM Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[O-] ZINC000738757794 600497065 /nfs/dbraw/zinc/49/70/65/600497065.db2.gz DZDTYXFBYUOZIN-IAGOWNOFSA-N -1 0 334.460 3.881 20 0 EHADRM C[C@H]1CCC[C@H](N(C)C(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000736776443 600498591 /nfs/dbraw/zinc/49/85/91/600498591.db2.gz QYUQTLIGKHNPBP-BBRMVZONSA-N -1 0 333.432 3.539 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)c1ccccc1OC1CCC1 ZINC000740076999 600505071 /nfs/dbraw/zinc/50/50/71/600505071.db2.gz ABYQOSABWXGNMF-UHFFFAOYSA-N -1 0 344.338 3.812 20 0 EHADRM Cc1c(NC(=O)NC[C@H]2CCCO[C@H]2C(C)(C)C)cccc1C(=O)[O-] ZINC000738302633 600505909 /nfs/dbraw/zinc/50/59/09/600505909.db2.gz ALCCAXSLBOARGB-CZUORRHYSA-N -1 0 348.443 3.656 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)Oc2cccc(CC(=O)[O-])c2)cc1 ZINC000737258094 600511175 /nfs/dbraw/zinc/51/11/75/600511175.db2.gz XEUVUDCVSVLVDI-AWEZNQCLSA-N -1 0 326.392 3.975 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)c1cccc(O)c1 ZINC000736648668 600511211 /nfs/dbraw/zinc/51/12/11/600511211.db2.gz HXZSBQWWQYZCHO-SECBINFHSA-N -1 0 334.759 3.627 20 0 EHADRM Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)OC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000738493006 600512000 /nfs/dbraw/zinc/51/20/00/600512000.db2.gz KVAIUNQLPHACBY-UBHSHLNASA-N -1 0 345.420 3.752 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)Nc1ccc(CC(=O)[O-])cc1)C1CC1 ZINC000738757492 600513179 /nfs/dbraw/zinc/51/31/79/600513179.db2.gz AUOOENDAFFXFLR-LJQANCHMSA-N -1 0 338.407 3.895 20 0 EHADRM Cc1csc([C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)n1 ZINC000315726649 600514673 /nfs/dbraw/zinc/51/46/73/600514673.db2.gz WAWXDPUUAQLKAZ-MRVPVSSYSA-N -1 0 339.804 3.686 20 0 EHADRM Cc1[nH]c(C(=O)[C@@H](C)SC2=Nc3ccccc3C2)c(C)c1C(=O)[O-] ZINC000738237278 600519208 /nfs/dbraw/zinc/51/92/08/600519208.db2.gz SVQNNSGZBMCMOI-LLVKDONJSA-N -1 0 342.420 3.920 20 0 EHADRM O=C([O-])c1ccc(-c2noc(Cc3ccccc3OC(F)F)n2)cc1 ZINC000740101830 600519738 /nfs/dbraw/zinc/51/97/38/600519738.db2.gz UGMRTGXXROVXBT-UHFFFAOYSA-N -1 0 346.289 3.627 20 0 EHADRM Cc1sc2ncnc(Oc3ccc([N+](=O)[O-])c(C(=O)[O-])c3)c2c1C ZINC000326957947 600524017 /nfs/dbraw/zinc/52/40/17/600524017.db2.gz HNKQGXRGEIVMNG-UHFFFAOYSA-N -1 0 345.336 3.707 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC000675985748 600530731 /nfs/dbraw/zinc/53/07/31/600530731.db2.gz DZAQZVZDNMWPJX-HZMBPMFUSA-N -1 0 345.361 3.815 20 0 EHADRM CC(C)(C)[C@H](NC(=O)/C=C\c1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000736241111 600531649 /nfs/dbraw/zinc/53/16/49/600531649.db2.gz FQRAIOIYSFTERA-YUIUBULTSA-N -1 0 345.439 3.637 20 0 EHADRM CCN(C(=O)Cc1ccccc1OC(C)C)c1ccccc1C(=O)[O-] ZINC000737059424 600532557 /nfs/dbraw/zinc/53/25/57/600532557.db2.gz CJUOXEJPZNZABJ-UHFFFAOYSA-N -1 0 341.407 3.768 20 0 EHADRM C[C@H]1CCC[C@@H](OCC(=O)Oc2ccc(Cl)cc2C(=O)[O-])C1 ZINC000736781863 600534418 /nfs/dbraw/zinc/53/44/18/600534418.db2.gz SQBCATYXGMUJMJ-CMPLNLGQSA-N -1 0 326.776 3.539 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)NCc1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000736243468 600544915 /nfs/dbraw/zinc/54/49/15/600544915.db2.gz XOLQWEONNGONSD-HNNXBMFYSA-N -1 0 330.384 3.564 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@@H]2CCc3c2cccc3O)ccc1Cl ZINC000739469007 600549596 /nfs/dbraw/zinc/54/95/96/600549596.db2.gz SJEVVUHJBPAGNZ-CQSZACIVSA-N -1 0 346.770 3.553 20 0 EHADRM C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000237644586 600551036 /nfs/dbraw/zinc/55/10/36/600551036.db2.gz SQWINMKFSLTVDK-VIFPVBQESA-N -1 0 337.734 3.583 20 0 EHADRM Cc1sc(NC(=O)CO[C@H]2CCCC[C@@H]2C)c(C(=O)[O-])c1C ZINC000738997599 600551452 /nfs/dbraw/zinc/55/14/52/600551452.db2.gz QWRWFPOBEIGRCP-CABZTGNLSA-N -1 0 325.430 3.597 20 0 EHADRM CCC[C@H](C)C(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC000736965643 600554579 /nfs/dbraw/zinc/55/45/79/600554579.db2.gz RSHRGVZRLDHGJZ-NSHDSACASA-N -1 0 332.425 3.812 20 0 EHADRM Cc1cc(OCCCC(=O)N(CCC(=O)[O-])C(C)C)ccc1Cl ZINC000236726505 600559546 /nfs/dbraw/zinc/55/95/46/600559546.db2.gz IKYFGYLLNNNJPM-UHFFFAOYSA-N -1 0 341.835 3.519 20 0 EHADRM O=C([O-])C1CCN(C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000262904406 600560717 /nfs/dbraw/zinc/56/07/17/600560717.db2.gz DFBPYGGZNVAOAV-KRWDZBQOSA-N -1 0 348.418 3.563 20 0 EHADRM C/C(=C\C(=O)N(CCC(=O)[O-])C(C)C)c1ccc(C(F)(F)F)cc1 ZINC000736117875 600561307 /nfs/dbraw/zinc/56/13/07/600561307.db2.gz OEBKTQWSXKVVAO-ZRDIBKRKSA-N -1 0 343.345 3.820 20 0 EHADRM CCC(CC)[C@@H](NC(=O)N1CCC(C(=O)[O-])CC1)c1cccs1 ZINC000262878050 600561676 /nfs/dbraw/zinc/56/16/76/600561676.db2.gz ASSNQFXDVFYNOM-OAHLLOKOSA-N -1 0 338.473 3.732 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)Cc2cnc3ccccc3c2)ccc1F ZINC000740004522 600566933 /nfs/dbraw/zinc/56/69/33/600566933.db2.gz DRDDZKRIVTUHSY-UHFFFAOYSA-N -1 0 339.326 3.645 20 0 EHADRM O=C([O-])c1cc(NC(=O)C[C@@H]2OCCc3ccccc32)ccc1Cl ZINC000676002302 600569771 /nfs/dbraw/zinc/56/97/71/600569771.db2.gz RIKGUZGHTCEHLK-INIZCTEOSA-N -1 0 345.782 3.681 20 0 EHADRM CCCCCc1nnc(NC(=O)c2ccccc2NC(=O)[O-])s1 ZINC000736991886 600573593 /nfs/dbraw/zinc/57/35/93/600573593.db2.gz RUGWUMCAFDRZSC-UHFFFAOYSA-N -1 0 334.401 3.613 20 0 EHADRM C[C@@H](CC(=O)[O-])S[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000736553350 600584467 /nfs/dbraw/zinc/58/44/67/600584467.db2.gz RMXLLPSGXHCXKQ-IUCAKERBSA-N -1 0 335.347 3.629 20 0 EHADRM CC(C)(C(=O)Nc1ccc(CCC(=O)[O-])cc1)c1cccc(F)c1 ZINC000236725638 600587147 /nfs/dbraw/zinc/58/71/47/600587147.db2.gz SHNDZENCEIKKAB-UHFFFAOYSA-N -1 0 329.371 3.759 20 0 EHADRM COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)S[C@H](C)CC(=O)[O-] ZINC000737887314 600587209 /nfs/dbraw/zinc/58/72/09/600587209.db2.gz VLNHUQFGISUTDU-NXEZZACHSA-N -1 0 345.848 3.580 20 0 EHADRM C[C@H](CC(=O)[O-])S[C@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000736551332 600588548 /nfs/dbraw/zinc/58/85/48/600588548.db2.gz JJMGYIXRJNCDTQ-IJLUTSLNSA-N -1 0 335.425 3.595 20 0 EHADRM CN(Cc1ccc(NC(=O)C(C)(C)c2cccc(F)c2)cc1)C(=O)[O-] ZINC000737478177 600588958 /nfs/dbraw/zinc/58/89/58/600588958.db2.gz MGHSBNBSZBVUKF-UHFFFAOYSA-N -1 0 344.386 3.852 20 0 EHADRM CN(C(=O)c1ccc(Cl)c(Cl)c1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737336555 600591631 /nfs/dbraw/zinc/59/16/31/600591631.db2.gz MZZAWOZKWMQAPG-AWEZNQCLSA-N -1 0 338.190 3.891 20 0 EHADRM C[C@@H](CC(=O)[O-])SCCC(=O)Nc1cc(Cl)ccc1Cl ZINC000090097009 600594083 /nfs/dbraw/zinc/59/40/83/600594083.db2.gz KJZBEIGTNHJJJA-QMMMGPOBSA-N -1 0 336.240 3.918 20 0 EHADRM CN(C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737314753 600594246 /nfs/dbraw/zinc/59/42/46/600594246.db2.gz RSHRAHJRSMUKKR-GVDBMIGSSA-N -1 0 343.810 3.728 20 0 EHADRM C[C@H](CS[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000736621166 600596168 /nfs/dbraw/zinc/59/61/68/600596168.db2.gz ZHYUJCNESHPYNI-SFYZADRCSA-N -1 0 336.240 3.774 20 0 EHADRM CN(C(=O)c1cc2cc(Cl)ccc2o1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737334268 600597406 /nfs/dbraw/zinc/59/74/06/600597406.db2.gz UWCOATIBXMFPLN-INIZCTEOSA-N -1 0 343.766 3.984 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000737256818 600600528 /nfs/dbraw/zinc/60/05/28/600600528.db2.gz KKMPNVUNSCWOKO-KBXCAEBGSA-N -1 0 325.408 3.637 20 0 EHADRM Cc1sc2[nH]c([C@@H](C)SC[C@@H](C)C(=O)[O-])nc(=O)c2c1C ZINC000738995492 600603192 /nfs/dbraw/zinc/60/31/92/600603192.db2.gz CQRWZUURIVNTRC-HZGVNTEJSA-N -1 0 326.443 3.529 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)C(=O)N(CC(=O)[O-])c2ccccc2)c1 ZINC000736704591 600606039 /nfs/dbraw/zinc/60/60/39/600606039.db2.gz UCBKUFQHRHSJDF-HNNXBMFYSA-N -1 0 341.407 3.695 20 0 EHADRM CCC[C@H](C)C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000236997534 600607373 /nfs/dbraw/zinc/60/73/73/600607373.db2.gz ZWZASIUVLSXQRK-KBXCAEBGSA-N -1 0 327.424 3.636 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C[C@@H]1CCc2ccccc21)c1cccs1 ZINC000675950419 600607631 /nfs/dbraw/zinc/60/76/31/600607631.db2.gz HNOMNEFKXJCATP-DZGCQCFKSA-N -1 0 329.421 3.500 20 0 EHADRM O=C([O-])COc1cccc(C(=O)OCc2ccc3ccccc3c2)c1 ZINC000739831564 600614470 /nfs/dbraw/zinc/61/44/70/600614470.db2.gz KMNWDXNACKSHMQ-UHFFFAOYSA-N -1 0 336.343 3.660 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N2CCCC[C@@H]2c2nccs2)cc1 ZINC000740124445 600617095 /nfs/dbraw/zinc/61/70/95/600617095.db2.gz ZAXVAFQGWYASGS-OAHLLOKOSA-N -1 0 344.436 3.528 20 0 EHADRM CC(C)c1ccc(NC(=O)[C@@H]2COc3ccccc32)c(C(=O)[O-])c1 ZINC000736514552 600617621 /nfs/dbraw/zinc/61/76/21/600617621.db2.gz VXIPBDZUJDORFN-OAHLLOKOSA-N -1 0 325.364 3.623 20 0 EHADRM CCCN(CCc1cccc(F)c1)C(=O)c1cccc(C(=O)[O-])c1 ZINC000237011796 600624203 /nfs/dbraw/zinc/62/42/03/600624203.db2.gz ANUVGADCQVHMCW-UHFFFAOYSA-N -1 0 329.371 3.619 20 0 EHADRM Cc1c(NC(=O)N2CCc3c(Cl)cccc3C2)cccc1C(=O)[O-] ZINC000738304683 600624734 /nfs/dbraw/zinc/62/47/34/600624734.db2.gz RWBSRYWJSCYTKK-UHFFFAOYSA-N -1 0 344.798 3.937 20 0 EHADRM CC[C@@H](C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1c(C)noc1C ZINC000736850137 600624869 /nfs/dbraw/zinc/62/48/69/600624869.db2.gz SXMCALHZGSWUNE-CYBMUJFWSA-N -1 0 336.775 3.775 20 0 EHADRM CC[C@](C)(NC(=O)Nc1ccc(N(C)C(=O)[O-])cc1)c1nccs1 ZINC000736862042 600625411 /nfs/dbraw/zinc/62/54/11/600625411.db2.gz WAYYJHGSEQDYPH-INIZCTEOSA-N -1 0 348.428 3.704 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)CCCOc2ccccc2)c1 ZINC000322901164 600625577 /nfs/dbraw/zinc/62/55/77/600625577.db2.gz HFGRPQRSVDSLIO-UHFFFAOYSA-N -1 0 333.771 3.836 20 0 EHADRM C[C@H](CCC1CCCCC1)NC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000736562859 600641554 /nfs/dbraw/zinc/64/15/54/600641554.db2.gz NYSBBCWGTBGHKA-LLVKDONJSA-N -1 0 339.461 3.641 20 0 EHADRM CCN(C(=O)Cc1c[nH]c2ccc(F)cc12)c1ccccc1C(=O)[O-] ZINC000737060273 600647199 /nfs/dbraw/zinc/64/71/99/600647199.db2.gz PHQRMJZIEXNEKO-UHFFFAOYSA-N -1 0 340.354 3.601 20 0 EHADRM C[C@H](c1cc2ccccc2o1)N(C)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000245703778 600653873 /nfs/dbraw/zinc/65/38/73/600653873.db2.gz MFAZBMZQJJFTCS-VHDGCEQUSA-N -1 0 329.396 3.843 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2cccc(OC3CCCC3)c2)C1 ZINC000179967068 600654582 /nfs/dbraw/zinc/65/45/82/600654582.db2.gz BXUOYSGBCALEQR-KGLIPLIRSA-N -1 0 331.412 3.838 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)ccc2o1 ZINC000179964757 600655231 /nfs/dbraw/zinc/65/52/31/600655231.db2.gz FQWLTUDSPUZBQR-NEPJUHHUSA-N -1 0 344.411 3.955 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1C ZINC000374855417 600661718 /nfs/dbraw/zinc/66/17/18/600661718.db2.gz NUZGJAZBQWXYTK-KURKYZTESA-N -1 0 329.440 3.858 20 0 EHADRM Cc1cccc(C2(CNC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)CCCC2)c1 ZINC000498635340 600664953 /nfs/dbraw/zinc/66/49/53/600664953.db2.gz NOGXSQOUORVDLZ-IAGOWNOFSA-N -1 0 343.467 3.814 20 0 EHADRM CSC[C@H](C)C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000832753125 600665700 /nfs/dbraw/zinc/66/57/00/600665700.db2.gz FLXFVTZKOXYTLM-CPCISQLKSA-N -1 0 337.224 3.661 20 0 EHADRM COc1ccc(C(=O)[O-])c(NCc2ccc(Br)s2)c1 ZINC000155686182 600677126 /nfs/dbraw/zinc/67/71/26/600677126.db2.gz NXOHRVVBYZMLCO-UHFFFAOYSA-N -1 0 342.214 3.830 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000832976944 600677968 /nfs/dbraw/zinc/67/79/68/600677968.db2.gz JHVRHSCARXMLCQ-SCLBCKFNSA-N -1 0 330.355 3.997 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000739892359 600686352 /nfs/dbraw/zinc/68/63/52/600686352.db2.gz PAFPMIAANJHYMN-GJZGRUSLSA-N -1 0 330.767 3.676 20 0 EHADRM Cc1nc(NC(=O)[C@H](CC(C)C)c2ccccc2)sc1C(=O)[O-] ZINC000738362570 600688022 /nfs/dbraw/zinc/68/80/22/600688022.db2.gz YHLFVUXDHMAZKE-CYBMUJFWSA-N -1 0 332.425 3.918 20 0 EHADRM O=C([O-])c1cccc(-c2noc(CCc3ccccc3Cl)n2)c1 ZINC000833328077 600693235 /nfs/dbraw/zinc/69/32/35/600693235.db2.gz UNONEGINAFKMFJ-UHFFFAOYSA-N -1 0 328.755 3.873 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCC(CC(=O)[O-])CC2)cc1 ZINC000262411401 600694999 /nfs/dbraw/zinc/69/49/99/600694999.db2.gz JHAAZCZQGCZNPW-ROUUACIJSA-N -1 0 329.440 3.627 20 0 EHADRM O=C([O-])c1cccc(COC(=O)c2c[nH]cc2-c2ccc(F)cc2)c1 ZINC000833329798 600698447 /nfs/dbraw/zinc/69/84/47/600698447.db2.gz UJBXGFRSYRIQKB-UHFFFAOYSA-N -1 0 339.322 3.876 20 0 EHADRM O=C([O-])c1cccc(-c2noc(-c3nc(Cl)ccc3Cl)n2)c1 ZINC000833328180 600700909 /nfs/dbraw/zinc/70/09/09/600700909.db2.gz ZTWOOKOHBGNHRC-UHFFFAOYSA-N -1 0 336.134 3.804 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)cc1 ZINC000262258308 600702260 /nfs/dbraw/zinc/70/22/60/600702260.db2.gz FVMWTDDKXZMBTG-RXVVDRJESA-N -1 0 335.403 3.546 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Nc2cc(C3CCCCC3)[nH]n2)cc1 ZINC000833101773 600729523 /nfs/dbraw/zinc/72/95/23/600729523.db2.gz CZWXOBLWFLKVCK-UHFFFAOYSA-N -1 0 341.411 3.727 20 0 EHADRM O=C([O-])[C@H](Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1Cl ZINC000833170272 600731955 /nfs/dbraw/zinc/73/19/55/600731955.db2.gz OYJMSZNAYCJBLS-CQSZACIVSA-N -1 0 340.162 3.960 20 0 EHADRM O=C([O-])c1sc2ccccc2c1COC(=O)CCC1CCOCC1 ZINC000833097671 600735018 /nfs/dbraw/zinc/73/50/18/600735018.db2.gz RZCUBUBADQDHDU-UHFFFAOYSA-N -1 0 348.420 3.850 20 0 EHADRM O=C([O-])[C@H](Nc1ccc(N2CCCC2)c(F)c1)c1ccccc1F ZINC000833168877 600741611 /nfs/dbraw/zinc/74/16/11/600741611.db2.gz FRYCWBJHEHHLSL-QGZVFWFLSA-N -1 0 332.350 3.803 20 0 EHADRM Cc1cc(C)cc(CCNC(=O)Nc2cc(C(=O)[O-])ccc2F)c1 ZINC000738363638 600743594 /nfs/dbraw/zinc/74/35/94/600743594.db2.gz LTVHUGZZJNWKQU-UHFFFAOYSA-N -1 0 330.359 3.505 20 0 EHADRM C[C@H](N[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl)c1ccccn1 ZINC000832840233 600744359 /nfs/dbraw/zinc/74/43/59/600744359.db2.gz UMKSOEBNIUWNJX-XPTSAGLGSA-N -1 0 325.195 3.865 20 0 EHADRM CC[C@H]1CCC[C@H](NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC000736939757 600745675 /nfs/dbraw/zinc/74/56/75/600745675.db2.gz FISCBGPAFULPSF-ZFWWWQNUSA-N -1 0 334.416 3.630 20 0 EHADRM O=C([O-])[C@@H](Nc1ccc(Br)c(F)c1)c1ccc(F)cc1 ZINC000833169137 600755648 /nfs/dbraw/zinc/75/56/48/600755648.db2.gz GLTRWUPKEDYYAX-ZDUSSCGKSA-N -1 0 342.139 3.965 20 0 EHADRM CSc1ccc(F)cc1CNC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000832781343 600762786 /nfs/dbraw/zinc/76/27/86/600762786.db2.gz STTBQWNMPLBFTO-UHFFFAOYSA-N -1 0 349.387 3.959 20 0 EHADRM Cc1ccc2c(CCC(=O)Oc3cccc(CC(=O)[O-])c3)c[nH]c2c1 ZINC000832960320 600801854 /nfs/dbraw/zinc/80/18/54/600801854.db2.gz PFJFUIATBNYTRT-UHFFFAOYSA-N -1 0 337.375 3.642 20 0 EHADRM C[C@H](OC(=O)c1cccc(C(=O)[O-])c1)c1ncc(-c2ccccc2)o1 ZINC000736700888 600803068 /nfs/dbraw/zinc/80/30/68/600803068.db2.gz ZWBKZPIRBKPRMT-LBPRGKRZSA-N -1 0 337.331 3.958 20 0 EHADRM Cc1ccc(C)c(S[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)c1 ZINC000832925520 600804576 /nfs/dbraw/zinc/80/45/76/600804576.db2.gz OSZQYEUFTDQYSW-CYBMUJFWSA-N -1 0 347.461 3.961 20 0 EHADRM Cc1ccc(CC(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000776672109 600805295 /nfs/dbraw/zinc/80/52/95/600805295.db2.gz AAIYHZDXZNJAFA-INIZCTEOSA-N -1 0 331.799 3.523 20 0 EHADRM CN(C(=O)OC(C)(C)C)c1ccc(OCc2occc2C(=O)[O-])cc1 ZINC000830518805 600805409 /nfs/dbraw/zinc/80/54/09/600805409.db2.gz IQFPQBOLOABSHT-UHFFFAOYSA-N -1 0 347.367 3.928 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C=C(C1CC1)C1CC1)c1cccc(Cl)c1 ZINC000776676338 600805684 /nfs/dbraw/zinc/80/56/84/600805684.db2.gz FCIWXQQOTQRJOS-MRXNPFEDSA-N -1 0 333.815 3.718 20 0 EHADRM CSCCCCC(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000832763007 600806199 /nfs/dbraw/zinc/80/61/99/600806199.db2.gz PJODNPUAEYJEPK-CYBMUJFWSA-N -1 0 329.849 3.505 20 0 EHADRM Cc1ccc(C)c(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000776674443 600806623 /nfs/dbraw/zinc/80/66/23/600806623.db2.gz KEMAGQWDWMHZLF-MRXNPFEDSA-N -1 0 331.799 3.903 20 0 EHADRM C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1)c1ccccc1F ZINC000776673338 600806677 /nfs/dbraw/zinc/80/66/77/600806677.db2.gz DEGPWRGYBCSJLL-ZBEGNZNMSA-N -1 0 349.789 3.915 20 0 EHADRM O=C([O-])c1sc(NCc2coc(-c3ccccc3)n2)nc1Cl ZINC000833347766 600816735 /nfs/dbraw/zinc/81/67/35/600816735.db2.gz RUKFQYBEMWQMDS-UHFFFAOYSA-N -1 0 335.772 3.762 20 0 EHADRM Cc1cc(Nc2ccc(C(C)(C)C(=O)[O-])cc2)nc(-c2cccnc2)n1 ZINC000832900341 600818737 /nfs/dbraw/zinc/81/87/37/600818737.db2.gz YLVXSYYKPNJHLR-UHFFFAOYSA-N -1 0 348.406 3.953 20 0 EHADRM CC(C)OC(=O)CSCc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000736484265 600818801 /nfs/dbraw/zinc/81/88/01/600818801.db2.gz ZCEIZSJIEVXFDG-UHFFFAOYSA-N -1 0 342.413 3.923 20 0 EHADRM C[C@H](NC(=S)N1C[C@H](CC(=O)[O-])c2ccccc21)c1cccs1 ZINC000736659982 600820032 /nfs/dbraw/zinc/82/00/32/600820032.db2.gz BGMNDZSAFQSSPA-RYUDHWBXSA-N -1 0 346.477 3.762 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N3CCC[C@@H]4CCC[C@H]43)c12 ZINC000833001378 600820633 /nfs/dbraw/zinc/82/06/33/600820633.db2.gz CXAZIETWHKUSRF-NWDGAFQWSA-N -1 0 331.441 3.775 20 0 EHADRM C[C@@H](CC(=O)NC1(C(=O)[O-])CCCC1)c1ccccc1C(F)(F)F ZINC000237391684 600829947 /nfs/dbraw/zinc/82/99/47/600829947.db2.gz QFVHPTLNIQTXNK-NSHDSACASA-N -1 0 343.345 3.713 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000737874448 600830129 /nfs/dbraw/zinc/83/01/29/600830129.db2.gz USZXXFUVJJFGKM-ZGWZEZEDSA-N -1 0 344.407 3.915 20 0 EHADRM CC1(C)CN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)CCCO1 ZINC000828074511 600830394 /nfs/dbraw/zinc/83/03/94/600830394.db2.gz IBXIGYUXMFHUBD-UHFFFAOYSA-N -1 0 346.452 3.509 20 0 EHADRM Cc1ccccc1-n1cnnc1S[C@H](C(=O)[O-])c1ccccc1F ZINC000832976248 600832610 /nfs/dbraw/zinc/83/26/10/600832610.db2.gz KTNKFYYTWBMIFN-HNNXBMFYSA-N -1 0 343.383 3.633 20 0 EHADRM Cc1ccc(C)c([C@@H]2CN(Cc3occc3C(=O)[O-])[C@@H](C)CO2)c1 ZINC000577760738 600835713 /nfs/dbraw/zinc/83/57/13/600835713.db2.gz ONXJNHVNHRUIJZ-KSSFIOAISA-N -1 0 329.396 3.557 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1c(F)cccc1F ZINC000736491354 600835941 /nfs/dbraw/zinc/83/59/41/600835941.db2.gz NYJIJSAARKGMKM-UHFFFAOYSA-N -1 0 335.306 3.703 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)cc1 ZINC000737328797 600835962 /nfs/dbraw/zinc/83/59/62/600835962.db2.gz JQHUBZOUIKIYTB-UKRRQHHQSA-N -1 0 346.333 3.821 20 0 EHADRM C[C@H]1CCC[C@@H](C(=O)Oc2ccc(Br)cc2C(=O)[O-])C1 ZINC000736777150 600835997 /nfs/dbraw/zinc/83/59/97/600835997.db2.gz YVAAMRIMTYWAPV-VHSXEESVSA-N -1 0 341.201 3.879 20 0 EHADRM CCc1ccc(CC(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])cc1 ZINC000485748168 600836226 /nfs/dbraw/zinc/83/62/26/600836226.db2.gz YQNCPXKPHYTIHO-INIZCTEOSA-N -1 0 339.435 3.541 20 0 EHADRM Cc1cccc2c(CCC(=O)Nc3ccc(C(=O)[O-])cc3F)c[nH]c21 ZINC000738747122 600840495 /nfs/dbraw/zinc/84/04/95/600840495.db2.gz BGAYASNTRDPBJW-UHFFFAOYSA-N -1 0 340.354 3.885 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)c2sccc2C2CC2)c2ccccc21 ZINC000739653208 600847317 /nfs/dbraw/zinc/84/73/17/600847317.db2.gz JYUSYNQSNRAYDV-GFCCVEGCSA-N -1 0 327.405 3.844 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)CCc2cccc(Cl)c2)c2ccccc21 ZINC000739640634 600848273 /nfs/dbraw/zinc/84/82/73/600848273.db2.gz FHQWJIWVCGFWQE-CQSZACIVSA-N -1 0 343.810 3.878 20 0 EHADRM Cc1ccc([C@H]2OCCC[C@H]2C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000262559703 600848507 /nfs/dbraw/zinc/84/85/07/600848507.db2.gz ZGYBAPPOROMPIR-QZTJIDSGSA-N -1 0 339.391 3.800 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1ccc(OC2CCC2)cc1 ZINC000830819313 600859560 /nfs/dbraw/zinc/85/95/60/600859560.db2.gz CMYSVFKNXZKMHR-UHFFFAOYSA-N -1 0 339.391 3.588 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)c2ccc(OC3CCC3)cc2)c1 ZINC000833287801 600863478 /nfs/dbraw/zinc/86/34/78/600863478.db2.gz ICSDSRCRWFZADW-UHFFFAOYSA-N -1 0 326.352 3.960 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000237500341 600864066 /nfs/dbraw/zinc/86/40/66/600864066.db2.gz ABRKBCCUXRLNMH-OAHLLOKOSA-N -1 0 343.398 3.508 20 0 EHADRM CC(C)C[C@@H](NC(=O)CCSCC(=O)[O-])c1ccc(Cl)cc1 ZINC000736411100 600864635 /nfs/dbraw/zinc/86/46/35/600864635.db2.gz DUCLNBQIQGQLSR-CQSZACIVSA-N -1 0 343.876 3.751 20 0 EHADRM CC(C)C[C@@H](NC(=O)CCCN(C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000736411145 600864721 /nfs/dbraw/zinc/86/47/21/600864721.db2.gz FMKNDWAWRHYUER-OAHLLOKOSA-N -1 0 340.851 3.933 20 0 EHADRM CCC[C@](C)(NC(=O)/C=C(/C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000236828786 600867023 /nfs/dbraw/zinc/86/70/23/600867023.db2.gz FSOVVKMFYIIMLC-SLWQEBJJSA-N -1 0 343.345 3.868 20 0 EHADRM O=C([O-])[C@H](NC(=O)C1CCC(c2ccccc2)CC1)c1cccs1 ZINC000448996363 600869486 /nfs/dbraw/zinc/86/94/86/600869486.db2.gz RNHAGFSJGOGROE-VMBOVVBDSA-N -1 0 343.448 3.964 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CCC(CCc3ccccc3)CC2)C1 ZINC000180110594 600875916 /nfs/dbraw/zinc/87/59/16/600875916.db2.gz BDFAUDOMQGZBOI-MOPGFXCFSA-N -1 0 343.467 3.749 20 0 EHADRM O=C([O-])[C@H](CNC(=O)CCCC1CCCC1)Cc1cccc(F)c1 ZINC000486172020 600878807 /nfs/dbraw/zinc/87/88/07/600878807.db2.gz BINKTBIAJOZFRL-INIZCTEOSA-N -1 0 335.419 3.546 20 0 EHADRM COc1cc(Cl)ccc1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000325294660 600881192 /nfs/dbraw/zinc/88/11/92/600881192.db2.gz NTUGJMRMHWHTJT-UHFFFAOYSA-N -1 0 347.798 3.963 20 0 EHADRM CC[C@H](C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1c(C)noc1C ZINC000736846875 600881783 /nfs/dbraw/zinc/88/17/83/600881783.db2.gz IUSVFRZEKPKGBM-HNNXBMFYSA-N -1 0 344.411 3.786 20 0 EHADRM Cc1ccc([C@H](C)C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)o1 ZINC000832922582 600883799 /nfs/dbraw/zinc/88/37/99/600883799.db2.gz CDCVBRTUIDAUJK-ZDUSSCGKSA-N -1 0 331.368 3.574 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cncc3ccccc32)cc1 ZINC000431540641 600884162 /nfs/dbraw/zinc/88/41/62/600884162.db2.gz YFIIELSVKBKOFK-UHFFFAOYSA-N -1 0 334.375 3.849 20 0 EHADRM CCO[C@@H](C)c1ncc(C(=O)N(CC)c2ccccc2C(=O)[O-])s1 ZINC000829901243 600887858 /nfs/dbraw/zinc/88/78/58/600887858.db2.gz KMCTWFSFHXATJZ-NSHDSACASA-N -1 0 348.424 3.606 20 0 EHADRM CN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000179985177 600894695 /nfs/dbraw/zinc/89/46/95/600894695.db2.gz DWZBQFSLJWKJPG-OLZOCXBDSA-N -1 0 343.345 3.555 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCc2ccc3ccccc3n2)s1 ZINC000833102100 600902471 /nfs/dbraw/zinc/90/24/71/600902471.db2.gz BTZKVURVBGRDDV-UHFFFAOYSA-N -1 0 326.377 3.566 20 0 EHADRM CCN(C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)c1ccccc1C(=O)[O-] ZINC000737053326 600907478 /nfs/dbraw/zinc/90/74/78/600907478.db2.gz RFZIMSNWXIVEER-ZIAGYGMSSA-N -1 0 345.345 3.820 20 0 EHADRM CCc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(C(=O)[O-])s2)s1 ZINC000737282107 600912728 /nfs/dbraw/zinc/91/27/28/600912728.db2.gz TWOIDFACYGJVFW-VIFPVBQESA-N -1 0 338.454 3.607 20 0 EHADRM Cc1c(C(=O)NC[C@H](CC(C)C)C(=O)[O-])sc2cccc(F)c12 ZINC000321658485 600923525 /nfs/dbraw/zinc/92/35/25/600923525.db2.gz GICZNFWBSUMISK-NSHDSACASA-N -1 0 337.416 3.826 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(F)c(Br)c2)s1 ZINC000132955286 600936404 /nfs/dbraw/zinc/93/64/04/600936404.db2.gz FMCVMGACBRKZSU-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM C[C@@H]1CC[C@H](CCC(=O)Oc2c(C(=O)[O-])ccc3ccccc32)O1 ZINC000828225488 600938733 /nfs/dbraw/zinc/93/87/33/600938733.db2.gz AYHOQYXFWNJROX-TZMCWYRMSA-N -1 0 328.364 3.791 20 0 EHADRM C[C@H]1CC[C@@H](CCC(=O)Oc2cc3ccccc3cc2C(=O)[O-])O1 ZINC000828225543 600939849 /nfs/dbraw/zinc/93/98/49/600939849.db2.gz CXRHYTDVFPFBDD-WFASDCNBSA-N -1 0 328.364 3.791 20 0 EHADRM CCCCN(C)c1ccc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000829381042 600940576 /nfs/dbraw/zinc/94/05/76/600940576.db2.gz IRDOWWLQQOLQIW-LSDHHAIUSA-N -1 0 332.444 3.752 20 0 EHADRM Cc1ccc(-c2nc(C)c(C(=O)O[C@H](CC(C)C)C(=O)[O-])s2)o1 ZINC000832907044 600957462 /nfs/dbraw/zinc/95/74/62/600957462.db2.gz FQYIOOVVSAYESH-GFCCVEGCSA-N -1 0 337.397 3.676 20 0 EHADRM Cc1cc(C)cc(OCCN2C[C@H](CC(=O)[O-])c3ccccc32)c1 ZINC000325300317 600963541 /nfs/dbraw/zinc/96/35/41/600963541.db2.gz VNAZNRBQDKTJDZ-INIZCTEOSA-N -1 0 325.408 3.761 20 0 EHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)o1 ZINC000245637204 600964423 /nfs/dbraw/zinc/96/44/23/600964423.db2.gz ADVLCFLGIZYISG-OAGGEKHMSA-N -1 0 333.428 3.923 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2C[C@]23CCc2ccccc23)sc1C(=O)[O-] ZINC000832892764 600965653 /nfs/dbraw/zinc/96/56/53/600965653.db2.gz DLAYYRRBTFVANF-UGSOOPFHSA-N -1 0 327.405 3.597 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000829009935 600967003 /nfs/dbraw/zinc/96/70/03/600967003.db2.gz WFXIBTBKUXUSSF-TUAOUCFPSA-N -1 0 325.430 3.759 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)NCc1ccc(-c2cccnc2)cc1 ZINC000833287124 600968426 /nfs/dbraw/zinc/96/84/26/600968426.db2.gz APFPJKFYBZVSET-UHFFFAOYSA-N -1 0 347.374 3.769 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000833299109 600971205 /nfs/dbraw/zinc/97/12/05/600971205.db2.gz LVSOGBPTLZRPCQ-OXQOHEQNSA-N -1 0 339.366 3.757 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000245652698 600973388 /nfs/dbraw/zinc/97/33/88/600973388.db2.gz CXXCFFNSGAYSEZ-KZNAEPCWSA-N -1 0 331.456 3.666 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1cc(OC)ccc1C(=O)[O-] ZINC000829009777 600973673 /nfs/dbraw/zinc/97/36/73/600973673.db2.gz PSWDKRRNGVIFEM-MRRJBJDNSA-N -1 0 349.427 3.706 20 0 EHADRM C[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)c1ccc(-c2ccncc2)cc1 ZINC000191626544 600980870 /nfs/dbraw/zinc/98/08/70/600980870.db2.gz ZGYWLPABRSRBFU-CQSZACIVSA-N -1 0 346.386 3.938 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCc1ncc(-c2ccccc2F)o1 ZINC000737861280 600983087 /nfs/dbraw/zinc/98/30/87/600983087.db2.gz DJZIBHOEPNVIOH-UHFFFAOYSA-N -1 0 343.310 3.767 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000485524839 600993782 /nfs/dbraw/zinc/99/37/82/600993782.db2.gz SUXZVPYPFWCKMB-UHFFFAOYSA-N -1 0 339.391 3.660 20 0 EHADRM COc1ccc(NC(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000832399068 600995042 /nfs/dbraw/zinc/99/50/42/600995042.db2.gz XYSMZRSRVFCFJS-HNNXBMFYSA-N -1 0 348.786 3.686 20 0 EHADRM Cn1c(C(=O)Nc2ccsc2C(=O)[O-])ccc1-c1ccccc1 ZINC000739013171 600997299 /nfs/dbraw/zinc/99/72/99/600997299.db2.gz XWKOKAYDRJSXFP-UHFFFAOYSA-N -1 0 326.377 3.704 20 0 EHADRM Cc1ccc(Br)cc1C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000087741803 600997356 /nfs/dbraw/zinc/99/73/56/600997356.db2.gz NLKSLWYJPVILNL-UHFFFAOYSA-N -1 0 348.196 3.732 20 0 EHADRM O=C([O-])c1c(NC(=O)[C@@H]2Cc3ccccc32)sc2c1CCCC2 ZINC000390311796 600997392 /nfs/dbraw/zinc/99/73/92/600997392.db2.gz CQNHBTDFQLUSOH-CYBMUJFWSA-N -1 0 327.405 3.604 20 0 EHADRM Cc1nc(NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)sc1C ZINC000390870685 600998173 /nfs/dbraw/zinc/99/81/73/600998173.db2.gz PUHSFZILCXOIAG-UHFFFAOYSA-N -1 0 333.413 3.766 20 0 EHADRM C[C@@H](C(=O)NCCc1ccc(C(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000540675063 600999633 /nfs/dbraw/zinc/99/96/33/600999633.db2.gz ZQJARGLWZISJCS-GFCCVEGCSA-N -1 0 331.799 3.501 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc3cccc(F)c3o2)c(F)cc1F ZINC000739458267 601001015 /nfs/dbraw/zinc/00/10/15/601001015.db2.gz JFQBCTIOMVCOMC-UHFFFAOYSA-N -1 0 335.237 3.801 20 0 EHADRM C[C@@H](C(=O)OCc1ccc(C(=O)[O-])o1)c1ccccc1C(F)(F)F ZINC000736226476 601002971 /nfs/dbraw/zinc/00/29/71/601002971.db2.gz JOFRPIAPSALLSW-SECBINFHSA-N -1 0 342.269 3.844 20 0 EHADRM CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc(C(=O)[O-])cc2)s1 ZINC000830310002 601006650 /nfs/dbraw/zinc/00/66/50/601006650.db2.gz UVEYXWDDKZGKQC-NSHDSACASA-N -1 0 347.440 3.937 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)[C@@H](C)c1cccc(F)c1)C(=O)[O-] ZINC000485745003 601007209 /nfs/dbraw/zinc/00/72/09/601007209.db2.gz QPVGKLUZABDSQR-GJZGRUSLSA-N -1 0 343.398 3.679 20 0 EHADRM Cc1cc(NC(=O)[C@H](C)c2ccccc2C(F)(F)F)c(C(=O)[O-])[nH]1 ZINC000738419184 601010008 /nfs/dbraw/zinc/01/00/08/601010008.db2.gz WMDAVCKOLGXNEF-SECBINFHSA-N -1 0 340.301 3.782 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@H]2C[C@H]2C2CCCCC2)c(F)cc1F ZINC000833150656 601013141 /nfs/dbraw/zinc/01/31/41/601013141.db2.gz HWZXTJBWTKLNOE-HZMBPMFUSA-N -1 0 338.354 3.753 20 0 EHADRM CC(C)C1CCN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC000391625981 601013368 /nfs/dbraw/zinc/01/33/68/601013368.db2.gz XBEPHEVZHZOTTC-UHFFFAOYSA-N -1 0 326.343 3.563 20 0 EHADRM CCO[C@@H]1C[C@H](NC(=O)Nc2cccc(C(=O)[O-])c2C)C12CCCC2 ZINC000829926823 601015369 /nfs/dbraw/zinc/01/53/69/601015369.db2.gz ZXBHGTBSVPKIMF-JKSUJKDBSA-N -1 0 346.427 3.553 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)N2CCC(C3CCCC3)CC2)c1 ZINC000833262322 601018583 /nfs/dbraw/zinc/01/85/83/601018583.db2.gz XZWNOWRYBMRPMO-UHFFFAOYSA-N -1 0 346.427 3.584 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)c1ccc(Oc2cccnc2)cc1 ZINC000739896883 601023183 /nfs/dbraw/zinc/02/31/83/601023183.db2.gz ZFAHNWBXLHKWID-UHFFFAOYSA-N -1 0 349.342 3.720 20 0 EHADRM Cc1csc([C@@H](NC(=O)Nc2cccc(NC(=O)[O-])c2)C2CC2)n1 ZINC000832988887 601023754 /nfs/dbraw/zinc/02/37/54/601023754.db2.gz MNYWMINTULUYFP-ZDUSSCGKSA-N -1 0 346.412 3.814 20 0 EHADRM C[C@@H](C(=O)N(CCC(=O)[O-])c1cccc(F)c1)c1cccc(F)c1 ZINC000736199385 601026922 /nfs/dbraw/zinc/02/69/22/601026922.db2.gz JDLKVCRRJNFZSW-GFCCVEGCSA-N -1 0 333.334 3.576 20 0 EHADRM Cc1ccc2oc(C(=O)N(c3ncc(C(=O)[O-])s3)C3CC3)cc2c1 ZINC000738676618 601035761 /nfs/dbraw/zinc/03/57/61/601035761.db2.gz GFHYREKFMBUYNQ-UHFFFAOYSA-N -1 0 342.376 3.705 20 0 EHADRM CC[C@@H]1CN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)CCS1 ZINC000563280534 601041885 /nfs/dbraw/zinc/04/18/85/601041885.db2.gz XDPKFVNVBHCJEV-OAHLLOKOSA-N -1 0 348.493 3.836 20 0 EHADRM Cc1ccc2cccc(NC(=O)NC[C@H](C(=O)[O-])c3ccccc3)c2n1 ZINC000832961777 601047998 /nfs/dbraw/zinc/04/79/98/601047998.db2.gz DPCHEQQGAGHLCV-INIZCTEOSA-N -1 0 349.390 3.533 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@@H](C)c2cccc(Cl)c2)cc1C(=O)[O-] ZINC000262065492 601051594 /nfs/dbraw/zinc/05/15/94/601051594.db2.gz CICRIIIUWCEROS-JTQLQIEISA-N -1 0 335.787 3.702 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2c[nH]cc2-c2ccc(F)cc2)ccc1F ZINC000740090881 601052830 /nfs/dbraw/zinc/05/28/30/601052830.db2.gz XXARZIJCGZZPPJ-UHFFFAOYSA-N -1 0 342.301 3.910 20 0 EHADRM Cc1ccc(OCCCC(=O)O[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000832952534 601057153 /nfs/dbraw/zinc/05/71/53/601057153.db2.gz PSVJCJZEMYARKG-GOSISDBHSA-N -1 0 346.354 3.662 20 0 EHADRM O=C([O-])[C@H](OC(=O)/C=C\c1ccccc1Cl)c1ccccc1F ZINC000833095765 601065195 /nfs/dbraw/zinc/06/51/95/601065195.db2.gz WZTZWJDVVSXEHO-ZBTGYSDGSA-N -1 0 334.730 3.861 20 0 EHADRM O=C([O-])[C@@H](OC(=O)/C=C\c1ccc(Cl)cc1)c1ccccc1F ZINC000833095109 601065229 /nfs/dbraw/zinc/06/52/29/601065229.db2.gz QAOOVQNBBHBQOC-BJIFSAINSA-N -1 0 334.730 3.861 20 0 EHADRM Cc1ccc(NC(=O)c2cc3ccc(F)cc3nc2C)cc1C(=O)[O-] ZINC000237717825 601066376 /nfs/dbraw/zinc/06/63/76/601066376.db2.gz AWXLJQZALVXNMV-UHFFFAOYSA-N -1 0 338.338 3.941 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000387402424 601068055 /nfs/dbraw/zinc/06/80/55/601068055.db2.gz YZDGKDBVIMSQKI-CQSZACIVSA-N -1 0 338.190 3.592 20 0 EHADRM CC(C)C[C@@H](C(=O)NC[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000736402150 601068653 /nfs/dbraw/zinc/06/86/53/601068653.db2.gz ORSDYZQMUQVNBA-MOPGFXCFSA-N -1 0 339.435 3.801 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1csc2c1CCCC2)c1ccccc1F ZINC000833350277 601074430 /nfs/dbraw/zinc/07/44/30/601074430.db2.gz CRKIGXNSSFHJGN-HNNXBMFYSA-N -1 0 334.368 3.749 20 0 EHADRM O=C([O-])[C@H](OC(=O)CCc1cccc(Cl)c1)c1ccccc1F ZINC000833102836 601078611 /nfs/dbraw/zinc/07/86/11/601078611.db2.gz RLMLBEBGWUTZLM-MRXNPFEDSA-N -1 0 336.746 3.781 20 0 EHADRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)c1cnc(C2CC2)s1 ZINC000621581615 601082314 /nfs/dbraw/zinc/08/23/14/601082314.db2.gz VJUHZMGIEUMUIO-UONOGXRCSA-N -1 0 348.468 3.516 20 0 EHADRM Cc1ccc(F)c(C(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1 ZINC000832936156 601082579 /nfs/dbraw/zinc/08/25/79/601082579.db2.gz ZHMOKLHDKNNBHM-YOEHRIQHSA-N -1 0 333.403 3.630 20 0 EHADRM C[C@H]1CCC[C@@H](CNC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C1 ZINC000392520997 601091979 /nfs/dbraw/zinc/09/19/79/601091979.db2.gz ZVTBIKCQXIZPLY-UONOGXRCSA-N -1 0 332.444 3.997 20 0 EHADRM Cc1nc([C@H](C)NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cs1 ZINC000832993945 601092402 /nfs/dbraw/zinc/09/24/02/601092402.db2.gz LXELKMMGTRTMCG-JTQLQIEISA-N -1 0 347.440 3.696 20 0 EHADRM CCSCC[C@H](C)NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000322226322 601093980 /nfs/dbraw/zinc/09/39/80/601093980.db2.gz WGDXSEIYDNOTKN-LBPRGKRZSA-N -1 0 338.473 3.702 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1csc(C2CC2)n1 ZINC000833181013 601094848 /nfs/dbraw/zinc/09/48/48/601094848.db2.gz YLMKMHFCCBYQHL-UKRRQHHQSA-N -1 0 348.468 3.516 20 0 EHADRM C/C(=C/COc1ccc([N+](=O)[O-])cc1Cc1ccccc1)C(=O)[O-] ZINC000325082628 601098877 /nfs/dbraw/zinc/09/88/77/601098877.db2.gz ZLNDNBZXWSDLBJ-LCYFTJDESA-N -1 0 327.336 3.595 20 0 EHADRM Cc1csc([C@H]2CCCN(C(=O)c3ccccc3NC(=O)[O-])C2)n1 ZINC000738817151 601101601 /nfs/dbraw/zinc/10/16/01/601101601.db2.gz UHETWTPJFQLTCS-LBPRGKRZSA-N -1 0 345.424 3.561 20 0 EHADRM O=C([O-])[C@H](OC(=O)CC[C@@H]1CCCO1)c1ccc(Cl)cc1Cl ZINC000833096845 601103009 /nfs/dbraw/zinc/10/30/09/601103009.db2.gz XBHZEBAYKVIUPW-IINYFYTJSA-N -1 0 347.194 3.622 20 0 EHADRM CC(C)c1cccc(OCC(=O)O[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000827134349 601109792 /nfs/dbraw/zinc/10/97/92/601109792.db2.gz SNTWLUGBYZPFPL-GOSISDBHSA-N -1 0 346.354 3.697 20 0 EHADRM CCN(C(=O)c1ccc(C(F)(F)F)cc1)c1ncc(C(=O)[O-])s1 ZINC000737058925 601112935 /nfs/dbraw/zinc/11/29/35/601112935.db2.gz COOYBKMHAIUXSR-UHFFFAOYSA-N -1 0 344.314 3.527 20 0 EHADRM CN(Cc1nccs1)Cc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000388298892 601116466 /nfs/dbraw/zinc/11/64/66/601116466.db2.gz BLBZFLVUARLJHO-UHFFFAOYSA-N -1 0 336.413 3.827 20 0 EHADRM CCN(C(=O)c1cc2cc(Cl)ccc2[nH]1)c1ncc(C(=O)[O-])s1 ZINC000737058740 601125260 /nfs/dbraw/zinc/12/52/60/601125260.db2.gz SUHCJKJYMBKQQR-UHFFFAOYSA-N -1 0 349.799 3.643 20 0 EHADRM Cc1ccc(C(C)C)cc1OS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000013067429 601129548 /nfs/dbraw/zinc/12/95/48/601129548.db2.gz CXFLKHFJGAWTKT-UHFFFAOYSA-N -1 0 334.393 3.584 20 0 EHADRM CC(C)Cn1cc(NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cn1 ZINC000826917382 601131112 /nfs/dbraw/zinc/13/11/12/601131112.db2.gz ALUBZWGXBMEVIB-UHFFFAOYSA-N -1 0 336.779 3.535 20 0 EHADRM CN(Cc1ccc(NC(=O)N(C2CC2)C2CCCC2)cc1)C(=O)[O-] ZINC000830830373 601133926 /nfs/dbraw/zinc/13/39/26/601133926.db2.gz AUDRRKDMZXCMJC-UHFFFAOYSA-N -1 0 331.416 3.735 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cc(Cl)ccc2OC(F)F)c1 ZINC000238143467 601134163 /nfs/dbraw/zinc/13/41/63/601134163.db2.gz PTZNDCYLHDLDPW-UHFFFAOYSA-N -1 0 341.697 3.892 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000325349507 601135606 /nfs/dbraw/zinc/13/56/06/601135606.db2.gz BDKRTMUVHGRHOK-LLVKDONJSA-N -1 0 346.349 3.882 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCC(CC(=O)[O-])CC1 ZINC000325770632 601135739 /nfs/dbraw/zinc/13/57/39/601135739.db2.gz HIIYYUDJCSHMGF-UHFFFAOYSA-N -1 0 344.333 3.732 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)cc1C(=O)[O-] ZINC000237718985 601138790 /nfs/dbraw/zinc/13/87/90/601138790.db2.gz IYDZVZJXPJWDCS-UHFFFAOYSA-N -1 0 348.358 3.505 20 0 EHADRM Cc1ccc(CCCC(=O)N(CC(=O)[O-])c2cccc(F)c2)cc1 ZINC000832929734 601141249 /nfs/dbraw/zinc/14/12/49/601141249.db2.gz DCLYNIQLSMEGCE-UHFFFAOYSA-N -1 0 329.371 3.575 20 0 EHADRM O=C([O-])CN(C(=O)c1cccc(Cl)c1Cl)c1cccc(F)c1 ZINC000833246017 601143520 /nfs/dbraw/zinc/14/35/20/601143520.db2.gz RSTVKHCZGCHRTK-UHFFFAOYSA-N -1 0 342.153 3.864 20 0 EHADRM O=C([O-])c1ccc2[nH]c3c(c2c1)CN(c1ncc(Cl)cc1F)CC3 ZINC000833325729 601144998 /nfs/dbraw/zinc/14/49/98/601144998.db2.gz VFSVUFJMOISAMN-UHFFFAOYSA-N -1 0 345.761 3.616 20 0 EHADRM Cc1ccc(CCCC(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)s1 ZINC000237705999 601150258 /nfs/dbraw/zinc/15/02/58/601150258.db2.gz AEYYGCBCVGAWCC-KBMXLJTQSA-N -1 0 335.469 3.624 20 0 EHADRM C[C@H](OC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(OC(F)F)cc1 ZINC000827825143 601157776 /nfs/dbraw/zinc/15/77/76/601157776.db2.gz DASATENSKGWIRM-DRZSPHRISA-N -1 0 342.338 3.783 20 0 EHADRM CC(C)Oc1ccc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000675998272 601161945 /nfs/dbraw/zinc/16/19/45/601161945.db2.gz HDLKUUJQFIDRMT-KDOFPFPSSA-N -1 0 341.407 3.666 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)/C=C\Sc1ccccc1)c1ccccc1 ZINC000826027032 601167431 /nfs/dbraw/zinc/16/74/31/601167431.db2.gz TZQJTVRSWVRMBR-CFVUCJATSA-N -1 0 341.432 3.871 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Cc1cc2ccccc2o1)c1ccccc1 ZINC000826031514 601170569 /nfs/dbraw/zinc/17/05/69/601170569.db2.gz OXUVBNOJZARZMA-YJYMSZOUSA-N -1 0 337.375 3.554 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C/C=C/c1ccc(F)cc1)c1cccs1 ZINC000238091338 601195279 /nfs/dbraw/zinc/19/52/79/601195279.db2.gz YDYNHXUEGRPZGR-XYHHVPKHSA-N -1 0 333.384 3.623 20 0 EHADRM C[C@H]1[C@@H](Cc2ccccc2)CCN1c1nc(Cl)c(C(=O)[O-])s1 ZINC000828151624 601200646 /nfs/dbraw/zinc/20/06/46/601200646.db2.gz XFHZMIGNERNKRK-CMPLNLGQSA-N -1 0 336.844 3.952 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1Oc1ncnc2cccc(C)c21 ZINC000831977609 601209136 /nfs/dbraw/zinc/20/91/36/601209136.db2.gz TWVVBDOKCMLIRN-VQHVLOKHSA-N -1 0 336.347 3.837 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2cc(-c3cccc(Cl)c3)[nH]n2)C1 ZINC000833185713 601210037 /nfs/dbraw/zinc/21/00/37/601210037.db2.gz ILTAVNZVKBTTBT-NEPJUHHUSA-N -1 0 347.802 3.560 20 0 EHADRM COCc1nc2cc(N[C@@H](C(=O)[O-])c3cccc(Cl)c3)ccc2o1 ZINC000831832146 601229371 /nfs/dbraw/zinc/22/93/71/601229371.db2.gz VZBZNSPNMPRLSR-MRXNPFEDSA-N -1 0 346.770 3.865 20 0 EHADRM O=C([O-])c1cc(C(=O)NCc2cccc(Oc3ccccc3)c2)ccn1 ZINC000238174818 601243755 /nfs/dbraw/zinc/24/37/55/601243755.db2.gz COCYVALOJQVIED-UHFFFAOYSA-N -1 0 348.358 3.502 20 0 EHADRM O=C([O-])c1sc(NC[C@@H]2SCCc3ccccc32)nc1Cl ZINC000833346125 601253040 /nfs/dbraw/zinc/25/30/40/601253040.db2.gz IYTDXNAFKUZKCV-JTQLQIEISA-N -1 0 340.857 3.937 20 0 EHADRM COc1cccc(/C(C)=C/C(=O)Nc2cccc(C(=O)[O-])c2C)c1 ZINC000776607064 601253103 /nfs/dbraw/zinc/25/31/03/601253103.db2.gz HHWISTUSKPEZOQ-ZRDIBKRKSA-N -1 0 325.364 3.744 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000190705077 601255331 /nfs/dbraw/zinc/25/53/31/601255331.db2.gz BTBCWNYYCPIMRQ-UHFFFAOYSA-N -1 0 346.814 3.702 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)c1cc(C2CC2)nc2ccccc21 ZINC000683325382 601255413 /nfs/dbraw/zinc/25/54/13/601255413.db2.gz OXRAJVYJIKZTNN-AWEZNQCLSA-N -1 0 338.407 3.582 20 0 EHADRM O=C([O-])Nc1cccc(OCc2nnc(-c3cccc(F)c3)o2)c1 ZINC000833290314 601262357 /nfs/dbraw/zinc/26/23/57/601262357.db2.gz SUUKXGYJFICXAK-UHFFFAOYSA-N -1 0 329.287 3.545 20 0 EHADRM COc1csc(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])c1 ZINC000321219700 601268933 /nfs/dbraw/zinc/26/89/33/601268933.db2.gz SBRJULZGUQWMPG-UHFFFAOYSA-N -1 0 345.298 3.726 20 0 EHADRM Cc1ccc(C(=O)Nc2sccc2C(=O)[O-])cc1Br ZINC000129372661 601268994 /nfs/dbraw/zinc/26/89/94/601268994.db2.gz GVCRFSBNTNJJLQ-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM Cc1cc(C)c2cc(C(=O)NC3(CC(=O)[O-])CCCCC3)sc2n1 ZINC000832874229 601271603 /nfs/dbraw/zinc/27/16/03/601271603.db2.gz FTLJDZFLJRWETR-UHFFFAOYSA-N -1 0 346.452 3.821 20 0 EHADRM CCC1CCC(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)(C(=O)[O-])CC1 ZINC000325218835 601276909 /nfs/dbraw/zinc/27/69/09/601276909.db2.gz APUHBXPWKSWVBS-BTJONVMOSA-N -1 0 349.393 3.895 20 0 EHADRM Cc1cc(C)c(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])o1 ZINC000832871976 601277391 /nfs/dbraw/zinc/27/73/91/601277391.db2.gz HOYYYXMHHJSGMV-UHFFFAOYSA-N -1 0 327.258 3.866 20 0 EHADRM CCCCN(C(=O)c1ccnc(C(=O)[O-])c1)[C@@H](C)c1ccc(C)o1 ZINC000829372986 601280994 /nfs/dbraw/zinc/28/09/94/601280994.db2.gz ARZVWIRFRIEHDH-ZDUSSCGKSA-N -1 0 330.384 3.685 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)C/C=C\c1ccc(F)cc1)c1ccccc1 ZINC000255867646 601283205 /nfs/dbraw/zinc/28/32/05/601283205.db2.gz JIKUXIIVDFENIP-XDXAGZTOSA-N -1 0 341.382 3.951 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000588388012 601283461 /nfs/dbraw/zinc/28/34/61/601283461.db2.gz ILFRZVWJHBIORR-JKGDOXCYSA-N -1 0 341.382 3.951 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1c(Cl)cccc1Cl)c1ccccc1 ZINC000315627475 601290404 /nfs/dbraw/zinc/29/04/04/601290404.db2.gz UJBXJTYWHAYUES-LLVKDONJSA-N -1 0 338.190 3.592 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)CCc1ccc(Cl)cc1)c1ccccc1 ZINC000237738522 601296897 /nfs/dbraw/zinc/29/68/97/601296897.db2.gz BQDMWKCAJCXINV-ACJLOTCBSA-N -1 0 345.826 3.851 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)Cc1ccc2ccccc2c1)c1ccccc1 ZINC000237615112 601298180 /nfs/dbraw/zinc/29/81/80/601298180.db2.gz NEZJTVOVRQXAAI-BTYIYWSLSA-N -1 0 347.414 3.961 20 0 EHADRM O=C([O-])Nc1cc(NCC(=O)N2CCC[C@@H]3CCCC[C@H]32)ccc1F ZINC000833282427 601301576 /nfs/dbraw/zinc/30/15/76/601301576.db2.gz GVSQWVVDQGSPMO-BLLLJJGKSA-N -1 0 349.406 3.509 20 0 EHADRM O=C([O-])NCc1ccc(NCc2ncc(-c3cccc(F)c3)o2)cc1 ZINC000833280687 601301666 /nfs/dbraw/zinc/30/16/66/601301666.db2.gz PEBCJNLVBOETPD-UHFFFAOYSA-N -1 0 341.342 3.860 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(Oc2ccccc2)o1 ZINC000262144170 601308354 /nfs/dbraw/zinc/30/83/54/601308354.db2.gz SLSDMURJWUZRLL-UHFFFAOYSA-N -1 0 331.368 3.835 20 0 EHADRM Cn1cc(NC(=O)C2(Sc3ccccc3)CCCC2)cc1C(=O)[O-] ZINC000833044572 601320362 /nfs/dbraw/zinc/32/03/62/601320362.db2.gz DVORBQYLOYFOHV-UHFFFAOYSA-N -1 0 344.436 3.767 20 0 EHADRM CCn1c2cccc(F)c2nc1/C(Cl)=C/c1ccc(C(=O)[O-])[nH]1 ZINC000830408392 601331706 /nfs/dbraw/zinc/33/17/06/601331706.db2.gz ZKIWDJXCBYVDMT-NTMALXAHSA-N -1 0 333.750 3.959 20 0 EHADRM CC(C)[C@@H](CNC(=O)Nc1cccc(NC(=O)[O-])c1)c1cccnc1 ZINC000826688060 601334207 /nfs/dbraw/zinc/33/42/07/601334207.db2.gz SYAYNCYFCQGDNK-MRXNPFEDSA-N -1 0 342.399 3.733 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)s1 ZINC000630298332 601335189 /nfs/dbraw/zinc/33/51/89/601335189.db2.gz UUOOVZBOITXYQV-ZDUSSCGKSA-N -1 0 333.384 3.953 20 0 EHADRM CCO[C@@H]1C[C@H](NC(=O)Nc2cccc(NC(=O)[O-])c2)C1(CC)CC ZINC000829925170 601337040 /nfs/dbraw/zinc/33/70/40/601337040.db2.gz NQRHYONLWXFZEP-LSDHHAIUSA-N -1 0 349.431 3.882 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)C/C=C/c1ccc(F)cc1 ZINC000832523598 601350421 /nfs/dbraw/zinc/35/04/21/601350421.db2.gz KUXWJBPBRMRUAM-DUXPYHPUSA-N -1 0 330.311 3.541 20 0 EHADRM O=C([O-])c1cccc(OCc2noc(-c3cccc(C(F)F)c3)n2)c1 ZINC000833332111 601364741 /nfs/dbraw/zinc/36/47/41/601364741.db2.gz IJIIIANVAHQPLV-UHFFFAOYSA-N -1 0 346.289 3.951 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=S)Nc1ccc(F)c(Cl)c1 ZINC000819626064 601367116 /nfs/dbraw/zinc/36/71/16/601367116.db2.gz DFMDSMJUKQJTQZ-UHFFFAOYSA-N -1 0 338.791 3.915 20 0 EHADRM CCc1cccc(C)c1NC(=O)COc1ccccc1NC(=O)[O-] ZINC000830260244 601368978 /nfs/dbraw/zinc/36/89/78/601368978.db2.gz YOHUZVFJAAGASH-UHFFFAOYSA-N -1 0 328.368 3.665 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000828764100 601391883 /nfs/dbraw/zinc/39/18/83/601391883.db2.gz FCRFVYYZNJOKQR-NSHDSACASA-N -1 0 331.343 3.954 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cc2cc(F)ccc2o1)c1ccccc1 ZINC000237679115 601393055 /nfs/dbraw/zinc/39/30/55/601393055.db2.gz WHYDKZFXRLPTTN-PIGZYNQJSA-N -1 0 341.338 3.764 20 0 EHADRM O=C([O-])CC1(NC(=S)Nc2cc(Cl)cc(Cl)c2)CCC1 ZINC000833206161 601394263 /nfs/dbraw/zinc/39/42/63/601394263.db2.gz KMDDWJUHFRBONK-UHFFFAOYSA-N -1 0 333.240 3.677 20 0 EHADRM C[C@@H](C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21)c1ccc(Cl)s1 ZINC000192952715 601404309 /nfs/dbraw/zinc/40/43/09/601404309.db2.gz QIPXZQSPCOMGGI-MWLCHTKSSA-N -1 0 335.812 3.720 20 0 EHADRM COc1ccccc1NC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000832623844 601408543 /nfs/dbraw/zinc/40/85/43/601408543.db2.gz VRKBTWNWKANFMV-AWEZNQCLSA-N -1 0 348.786 3.686 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)cc1 ZINC000833309699 601429229 /nfs/dbraw/zinc/42/92/29/601429229.db2.gz YTWUOVNYLAMFJC-UHFFFAOYSA-N -1 0 327.355 3.544 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)Cc2coc3cc(F)ccc23)c1 ZINC000833288047 601437418 /nfs/dbraw/zinc/43/74/18/601437418.db2.gz INRQMYDQHFYUTK-UHFFFAOYSA-N -1 0 328.299 3.843 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Oc2cc(OC)ccc2C(=O)[O-])cc1 ZINC000832220893 601440669 /nfs/dbraw/zinc/44/06/69/601440669.db2.gz KSTLUPLSVLTRTP-LBPRGKRZSA-N -1 0 344.363 3.501 20 0 EHADRM C[C@@H](SCc1ccc(C(=O)[O-])cc1)C(=O)Nc1cccc(F)c1 ZINC000013020190 601452987 /nfs/dbraw/zinc/45/29/87/601452987.db2.gz UUBJPEKRDIMLMS-LLVKDONJSA-N -1 0 333.384 3.784 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CCc1ccc(-c2ccccc2F)o1 ZINC000236997256 601460828 /nfs/dbraw/zinc/46/08/28/601460828.db2.gz UZGJPNYRDXCFDC-IBGZPJMESA-N -1 0 347.386 3.778 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000237102158 601461951 /nfs/dbraw/zinc/46/19/51/601461951.db2.gz ACKLNEWSDVTEHG-MEDUHNTESA-N -1 0 345.361 3.959 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@H](C)Sc1ccccc1Cl ZINC000237024326 601464630 /nfs/dbraw/zinc/46/46/30/601464630.db2.gz JUJSBUNMNFVROK-BONVTDFDSA-N -1 0 329.849 3.580 20 0 EHADRM COc1ccccc1CC(C)(C)C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000832600903 601466253 /nfs/dbraw/zinc/46/62/53/601466253.db2.gz BMENIFFWTVUCRG-GFCCVEGCSA-N -1 0 346.379 3.860 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)CCOc1cccc(Cl)c1Cl ZINC000237093945 601471284 /nfs/dbraw/zinc/47/12/84/601471284.db2.gz PAFRHZNSWKEXNS-OAHLLOKOSA-N -1 0 348.226 3.522 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)/C=C/c1ccc2cc(OC)ccc2c1 ZINC000776629749 601471411 /nfs/dbraw/zinc/47/14/11/601471411.db2.gz UBKLOBILHOLXID-FXVWLTTGSA-N -1 0 341.407 3.621 20 0 EHADRM Cc1cccnc1C(=O)OCc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000832984200 601473770 /nfs/dbraw/zinc/47/37/70/601473770.db2.gz WTTHGLXEWSJEME-UHFFFAOYSA-N -1 0 345.351 3.799 20 0 EHADRM Cc1[nH]ccc1C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000832847357 601474703 /nfs/dbraw/zinc/47/47/03/601474703.db2.gz GTABFIPOOKYDLY-LBPRGKRZSA-N -1 0 328.151 3.613 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)O[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000832220812 601475286 /nfs/dbraw/zinc/47/52/86/601475286.db2.gz ICNWEKPFRCOCRR-KPZWWZAWSA-N -1 0 346.354 3.697 20 0 EHADRM C[C@@H](CC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-])c1cccc(F)c1 ZINC000262555529 601496170 /nfs/dbraw/zinc/49/61/70/601496170.db2.gz WIRXDSXLIXOWSE-DJJJIMSYSA-N -1 0 341.382 3.530 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)CC/C=C/c1ccccc1 ZINC000486036196 601496201 /nfs/dbraw/zinc/49/62/01/601496201.db2.gz JPHGCCMQBOLLQG-ROTNKFJQSA-N -1 0 335.403 3.691 20 0 EHADRM C[C@H]1CC/C(=C/C(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)C1 ZINC000828200133 601501596 /nfs/dbraw/zinc/50/15/96/601501596.db2.gz BYTIAGJEBXDERW-IXJPEXDMSA-N -1 0 337.366 3.515 20 0 EHADRM C[C@H]1CC/C(=C/C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC000828200965 601501752 /nfs/dbraw/zinc/50/17/52/601501752.db2.gz MOWRUJFNDSLEPK-CBFJXKFUSA-N -1 0 325.311 3.671 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N[C@@H](CC(=O)[O-])C3CC3)c(F)c2)cc1 ZINC000767075931 601524437 /nfs/dbraw/zinc/52/44/37/601524437.db2.gz JMCBCTYODQKXBK-SFHVURJKSA-N -1 0 341.382 3.784 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])C1CC1)c1ccccc1C(F)(F)F ZINC000767078871 601531566 /nfs/dbraw/zinc/53/15/66/601531566.db2.gz XCUIHGOCERQIEC-HZMBPMFUSA-N -1 0 343.345 3.569 20 0 EHADRM CC[C@@H](NC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1)c1ccccc1 ZINC000828958042 601531962 /nfs/dbraw/zinc/53/19/62/601531962.db2.gz QFMGHWBIOQJHCQ-QGZVFWFLSA-N -1 0 341.407 3.648 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1Cc1cc(Cl)nc(Cl)c1 ZINC000833195508 601543180 /nfs/dbraw/zinc/54/31/80/601543180.db2.gz HLDXTIAMZGRQCL-HNNXBMFYSA-N -1 0 337.206 3.572 20 0 EHADRM Cc1ccc(-c2cnc(CN3CCc4ccccc4[C@@H]3C(=O)[O-])o2)cc1 ZINC000832907385 601544137 /nfs/dbraw/zinc/54/41/37/601544137.db2.gz UNRHJNBCYGHNMR-HXUWFJFHSA-N -1 0 348.402 3.834 20 0 EHADRM Cc1cc(F)c(C(=O)COc2ccc(C(=O)[O-])cc2Cl)cc1F ZINC000832886520 601545525 /nfs/dbraw/zinc/54/55/25/601545525.db2.gz GGLZCMWTQGPICC-UHFFFAOYSA-N -1 0 340.709 3.887 20 0 EHADRM CC[C@@H](C(=O)N1CCC[C@H](C(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC000128544664 601548118 /nfs/dbraw/zinc/54/81/18/601548118.db2.gz WLZPCDPHDGNJDK-GXTWGEPZSA-N -1 0 343.345 3.522 20 0 EHADRM C[C@H](CC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccccc1F ZINC000345850995 601582491 /nfs/dbraw/zinc/58/24/91/601582491.db2.gz PCQYRQJCCXGBEK-DIFFPNOSSA-N -1 0 349.789 3.915 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000538467126 601586550 /nfs/dbraw/zinc/58/65/50/601586550.db2.gz YNEVRIUJLYAQKL-BZNIZROVSA-N -1 0 349.789 3.600 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NCc2noc(-c3ccccc3)n2)cc1 ZINC000826126754 601606787 /nfs/dbraw/zinc/60/67/87/601606787.db2.gz HNXPCCHGQNCURH-UHFFFAOYSA-N -1 0 337.379 3.711 20 0 EHADRM Cn1cc(CCC(=O)OCc2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC000833044923 601609503 /nfs/dbraw/zinc/60/95/03/601609503.db2.gz KRKKPMCUFLYPLL-UHFFFAOYSA-N -1 0 337.375 3.553 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c(F)c1 ZINC000832948015 601615184 /nfs/dbraw/zinc/61/51/84/601615184.db2.gz YXBBAPMFEQXCAF-MLGOLLRUSA-N -1 0 330.359 3.718 20 0 EHADRM Cc1cccc(C)c1NC(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832965584 601615300 /nfs/dbraw/zinc/61/53/00/601615300.db2.gz QQHVBUSTAXSANK-RHSMWYFYSA-N -1 0 326.396 3.887 20 0 EHADRM Cc1c(Br)cccc1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000088440302 601616371 /nfs/dbraw/zinc/61/63/71/601616371.db2.gz PFOSHIMWCPZYAC-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1ccc2ccc(Cl)cc2n1 ZINC000238099777 601616873 /nfs/dbraw/zinc/61/68/73/601616873.db2.gz UYGGARBEDSRPPM-UHFFFAOYSA-N -1 0 340.766 3.768 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CCc2ccccc21)c1ccc(Cl)cc1 ZINC000262259693 601620677 /nfs/dbraw/zinc/62/06/77/601620677.db2.gz YRODZPUBNMAMEI-SJORKVTESA-N -1 0 343.810 3.702 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)NCCCCCC(=O)[O-] ZINC000236929368 601623547 /nfs/dbraw/zinc/62/35/47/601623547.db2.gz PLAWEHSCFCVKIJ-UHFFFAOYSA-N -1 0 329.849 3.827 20 0 EHADRM CC[C@H](C(=O)NCCCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000237081949 601623595 /nfs/dbraw/zinc/62/35/95/601623595.db2.gz KRFZTTMCSCRMBX-ZDUSSCGKSA-N -1 0 331.334 3.570 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)N2CCC[C@H]3CCC[C@@H]32)c1 ZINC000833263400 601624172 /nfs/dbraw/zinc/62/41/72/601624172.db2.gz NOMMWNPFHHMWKO-ZBFHGGJFSA-N -1 0 348.468 3.801 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)c1sc(C)nc1CC(C)C ZINC000831919584 601647474 /nfs/dbraw/zinc/64/74/74/601647474.db2.gz XUKWYSUIIUHHKL-UHFFFAOYSA-N -1 0 349.408 3.576 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NCc1coc(-c2cccs2)n1)c1ccccc1 ZINC000826055009 601652695 /nfs/dbraw/zinc/65/26/95/601652695.db2.gz UMTYHABWJXNUQL-MLGOLLRUSA-N -1 0 342.420 3.955 20 0 EHADRM O=C([O-])CCCCNC(=O)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000666533990 601653860 /nfs/dbraw/zinc/65/38/60/601653860.db2.gz DXJMVLHYAMCPHR-QGZVFWFLSA-N -1 0 336.407 3.611 20 0 EHADRM CC(C)CNc1nnc(SCc2ccc(C(=O)[O-])c(F)c2)s1 ZINC000826891638 601673327 /nfs/dbraw/zinc/67/33/27/601673327.db2.gz VVTCXFHGYYWVSR-UHFFFAOYSA-N -1 0 341.433 3.736 20 0 EHADRM CC[C@H](NC(=O)CCCc1ccc2c(c1)-c1ccccc1C2)C(=O)[O-] ZINC000431688200 601678445 /nfs/dbraw/zinc/67/84/45/601678445.db2.gz TUFXCANTUJVLLT-IBGZPJMESA-N -1 0 337.419 3.560 20 0 EHADRM Cc1nc(CC(C)C)c(C(=O)Nc2ccc(CNC(=O)[O-])cc2)s1 ZINC000832999316 601678473 /nfs/dbraw/zinc/67/84/73/601678473.db2.gz UESGQYNQTFQPLG-UHFFFAOYSA-N -1 0 347.440 3.670 20 0 EHADRM CN(Cc1ccc(NC(=O)[C@H]2C[C@@H]2Cc2ccccc2)cc1)C(=O)[O-] ZINC000830830503 601678476 /nfs/dbraw/zinc/67/84/76/601678476.db2.gz FZFGWQGALDXNPP-WMZOPIPTSA-N -1 0 338.407 3.614 20 0 EHADRM C[C@@](NC(=O)CCCc1csc2ccccc12)(C(=O)[O-])C1CC1 ZINC000237713777 601678785 /nfs/dbraw/zinc/67/87/85/601678785.db2.gz USRPCWXWAFYDJC-SFHVURJKSA-N -1 0 331.437 3.594 20 0 EHADRM O=C([O-])c1coc(COC(=O)c2ccc3ccc(Cl)cc3n2)c1 ZINC000833340248 601683196 /nfs/dbraw/zinc/68/31/96/601683196.db2.gz GNNPWOQBWVKUGG-UHFFFAOYSA-N -1 0 331.711 3.536 20 0 EHADRM O=C([O-])c1c(C2CC2)csc1NC(=O)Cc1c(F)cccc1F ZINC000833116649 601686172 /nfs/dbraw/zinc/68/61/72/601686172.db2.gz LFQLVIKWECWDKG-UHFFFAOYSA-N -1 0 337.347 3.783 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC(=Cc3ccccc3F)CC2)cc1 ZINC000833308957 601690344 /nfs/dbraw/zinc/69/03/44/601690344.db2.gz HVXIXFNHOMEIGT-UHFFFAOYSA-N -1 0 339.366 3.844 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2ccc(OC3CCCC3)cc2)CCCC1 ZINC000833136632 601691221 /nfs/dbraw/zinc/69/12/21/601691221.db2.gz SRQYSRVCKJVMQX-UHFFFAOYSA-N -1 0 346.427 3.775 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000833139360 601691950 /nfs/dbraw/zinc/69/19/50/601691950.db2.gz JUIDYESSOLBDJN-PWSUYJOCSA-N -1 0 344.333 3.875 20 0 EHADRM Cc1ccc2c(Cl)c(C(=O)N3C[C@H](C(=O)[O-])[C@H](C)C3)sc2c1 ZINC000832962365 601695062 /nfs/dbraw/zinc/69/50/62/601695062.db2.gz VZGQDZMDUDMDLC-KOLCDFICSA-N -1 0 337.828 3.656 20 0 EHADRM Cc1cc(OC(C)C)ccc1NC(=O)NCC1(C(=O)[O-])CCCC1 ZINC000832899816 601697315 /nfs/dbraw/zinc/69/73/15/601697315.db2.gz SAVZEFQJDYEVGT-UHFFFAOYSA-N -1 0 334.416 3.549 20 0 EHADRM COc1ccc(/C=C/C(=O)OCc2cc(C(=O)[O-])sc2C)cc1 ZINC000832282559 601704305 /nfs/dbraw/zinc/70/43/05/601704305.db2.gz UUFYCVNVRXVCTH-VMPITWQZSA-N -1 0 332.377 3.520 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N(C)[C@H](C)C1(C)CC1 ZINC000827041728 601704539 /nfs/dbraw/zinc/70/45/39/601704539.db2.gz HUJMKDZKILFSFC-GFCCVEGCSA-N -1 0 334.416 3.824 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N(C)[C@@H](C)C1(C)CC1 ZINC000827041729 601704623 /nfs/dbraw/zinc/70/46/23/601704623.db2.gz HUJMKDZKILFSFC-LBPRGKRZSA-N -1 0 334.416 3.824 20 0 EHADRM Cc1cccc(CC2CN(C(=O)Nc3ccc(C(=O)[O-])cc3F)C2)c1 ZINC000832969988 601718774 /nfs/dbraw/zinc/71/87/74/601718774.db2.gz QXMMOCSDRLQMEK-UHFFFAOYSA-N -1 0 342.370 3.539 20 0 EHADRM CC(C)c1ccc(OCC(=O)OCc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000827129794 601719302 /nfs/dbraw/zinc/71/93/02/601719302.db2.gz SWTGKLJFXNRHEF-UHFFFAOYSA-N -1 0 346.354 3.770 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cc(Cl)c(Cl)[nH]2)cc1F ZINC000833353339 601721775 /nfs/dbraw/zinc/72/17/75/601721775.db2.gz RJNIFODLHNHMHH-UHFFFAOYSA-N -1 0 332.114 3.516 20 0 EHADRM COc1ccc2c(c1)N(C(=O)c1ccc(NC(=O)[O-])cc1)CCCC2 ZINC000832493638 601728791 /nfs/dbraw/zinc/72/87/91/601728791.db2.gz MULLNMYKHXJFSM-UHFFFAOYSA-N -1 0 340.379 3.768 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)C[C@@H](C)C(=O)c1ccccc1 ZINC000833031976 601729152 /nfs/dbraw/zinc/72/91/52/601729152.db2.gz RHKCSMXRKTUCMP-LLVKDONJSA-N -1 0 346.404 3.707 20 0 EHADRM CCCc1ncc(C(=O)OCc2cc(C(=O)[O-])sc2C)s1 ZINC000829570168 601730594 /nfs/dbraw/zinc/73/05/94/601730594.db2.gz CQPMPUBGKAIRAV-UHFFFAOYSA-N -1 0 325.411 3.521 20 0 EHADRM Cc1ccc(NC(=O)N[C@H](C)c2ccc(F)cc2F)cc1C(=O)[O-] ZINC000832946246 601731489 /nfs/dbraw/zinc/73/14/89/601731489.db2.gz DIPCTLWPMMPDEB-SNVBAGLBSA-N -1 0 334.322 3.854 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cc3cccc(F)c3o2)cc1F ZINC000833353562 601731498 /nfs/dbraw/zinc/73/14/98/601731498.db2.gz UXWVNCBXJBONJM-UHFFFAOYSA-N -1 0 332.258 3.766 20 0 EHADRM COc1ccc([C@H](C)CC(=O)OCc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000832220680 601732967 /nfs/dbraw/zinc/73/29/67/601732967.db2.gz CFIBMFGTMDVMPD-GFCCVEGCSA-N -1 0 346.354 3.770 20 0 EHADRM O=C([O-])c1ccc(COC(=O)C/C=C\c2cccc(F)c2)cc1F ZINC000833096721 601733841 /nfs/dbraw/zinc/73/38/41/601733841.db2.gz UQFDTPHKHUSWTD-RQOWECAXSA-N -1 0 332.302 3.810 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2c(cccc2F)s1)c1ccccc1F ZINC000776665441 601738095 /nfs/dbraw/zinc/73/80/95/601738095.db2.gz BYNMWLLXRYZMLJ-OAHLLOKOSA-N -1 0 347.342 3.735 20 0 EHADRM O=C([O-])[C@H](NC(=O)CC/C=C/c1ccccc1)c1ccccc1F ZINC000678985906 601739111 /nfs/dbraw/zinc/73/91/11/601739111.db2.gz CODCSKGIMBLOAM-YDMXYTAQSA-N -1 0 327.355 3.561 20 0 EHADRM O=C([O-])CCCc1csc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)n1 ZINC000833228906 601746967 /nfs/dbraw/zinc/74/69/67/601746967.db2.gz HFTRQJDNQULOIE-ZIAGYGMSSA-N -1 0 336.457 3.705 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N[C@@H](C(=O)[O-])C2CCCCC2)c1 ZINC000314442608 601749130 /nfs/dbraw/zinc/74/91/30/601749130.db2.gz BYXPMPMGELMJKO-CQSZACIVSA-N -1 0 341.860 3.825 20 0 EHADRM CC[C@H](NC(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1)C(=O)[O-] ZINC000828914985 601754127 /nfs/dbraw/zinc/75/41/27/601754127.db2.gz UBQOKJVTKJQUOS-JKSUJKDBSA-N -1 0 347.411 3.639 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)C1CCCCC1 ZINC000391243997 601754729 /nfs/dbraw/zinc/75/47/29/601754729.db2.gz KWHHTDITYNZJSW-UPJWGTAASA-N -1 0 335.366 3.505 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc3oc4ccccc4c3c2)C[C@H]1C(=O)[O-] ZINC000828376794 601770204 /nfs/dbraw/zinc/77/02/04/601770204.db2.gz DXSKBNBVBYAICG-XHDPSFHLSA-N -1 0 338.363 3.770 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000830169112 601792666 /nfs/dbraw/zinc/79/26/66/601792666.db2.gz OFQXTYNWEDHBTF-KOLCDFICSA-N -1 0 342.848 3.636 20 0 EHADRM CCCC[C@@H](CC)CNC(=S)N1CCC(CCC(=O)[O-])CC1 ZINC000829284672 601793765 /nfs/dbraw/zinc/79/37/65/601793765.db2.gz DQOZCTKWOHWIHY-CQSZACIVSA-N -1 0 328.522 3.654 20 0 EHADRM COc1cccc([C@H](C)Cc2nc(-c3cccc(C(=O)[O-])c3)no2)c1 ZINC000832534155 601799364 /nfs/dbraw/zinc/79/93/64/601799364.db2.gz VFLQXJXWVCNSPR-GFCCVEGCSA-N -1 0 338.363 3.790 20 0 EHADRM COc1cccc([C@H](C)CC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000832529060 601801356 /nfs/dbraw/zinc/80/13/56/601801356.db2.gz VHAQKLDYTQOCHL-SNVBAGLBSA-N -1 0 349.333 3.804 20 0 EHADRM CCC(CC)[C@H](NC(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1)c1ccccc1 ZINC000828854884 601803866 /nfs/dbraw/zinc/80/38/66/601803866.db2.gz XUINLQOJFZLVGT-COXVUDFISA-N -1 0 332.444 3.526 20 0 EHADRM O=C([O-])c1cccc(-c2nc(CSCCn3cccn3)cs2)c1 ZINC000833326149 601813743 /nfs/dbraw/zinc/81/37/43/601813743.db2.gz GRATXNLULAISTE-UHFFFAOYSA-N -1 0 345.449 3.638 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000050922264 601816319 /nfs/dbraw/zinc/81/63/19/601816319.db2.gz ZAWJPNIHHXYUPL-UHFFFAOYSA-N -1 0 330.211 3.710 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2ccc3c(c2)-c2ccccc2C3)CC1 ZINC000833224319 601821192 /nfs/dbraw/zinc/82/11/92/601821192.db2.gz GCIXUCYUNKYGKJ-UHFFFAOYSA-N -1 0 349.430 3.975 20 0 EHADRM N#CN(Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)c1ccccc1 ZINC000833069450 601829890 /nfs/dbraw/zinc/82/98/90/601829890.db2.gz YWBKGURLGITLPE-UHFFFAOYSA-N -1 0 335.388 3.996 20 0 EHADRM C[C@@H](SCc1ccc(C(=O)[O-])s1)C(=O)N(C)C1CCCCC1 ZINC000827908232 601847155 /nfs/dbraw/zinc/84/71/55/601847155.db2.gz HICKDNISJPKQQE-LLVKDONJSA-N -1 0 341.498 3.859 20 0 EHADRM Cc1ccc(NC(=O)CSCc2ccc(C(=O)[O-])s2)cc1F ZINC000832943721 601847306 /nfs/dbraw/zinc/84/73/06/601847306.db2.gz FMBSSZLPSQDKIR-UHFFFAOYSA-N -1 0 339.413 3.766 20 0 EHADRM C[C@H](NC(=O)NCc1cccc(C(=O)[O-])c1)c1ccccc1Cl ZINC000320749341 601848250 /nfs/dbraw/zinc/84/82/50/601848250.db2.gz DIJCMKATLAQQDJ-NSHDSACASA-N -1 0 332.787 3.599 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cncc(-c2ccccc2)c1 ZINC000830819348 601848637 /nfs/dbraw/zinc/84/86/37/601848637.db2.gz FHZXAZZYKCLFIO-UHFFFAOYSA-N -1 0 346.386 3.719 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)c1cncc(-c2ccccc2)c1 ZINC000833158130 601848952 /nfs/dbraw/zinc/84/89/52/601848952.db2.gz UGKISVFOBMNTFG-UHFFFAOYSA-N -1 0 336.322 3.838 20 0 EHADRM CCc1noc(C)c1COc1ccc(Br)cc1C(=O)[O-] ZINC000700791875 601849347 /nfs/dbraw/zinc/84/93/47/601849347.db2.gz IWSASHDXIWHGNQ-UHFFFAOYSA-N -1 0 340.173 3.585 20 0 EHADRM Cc1cc(F)c(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])cc1F ZINC000237405531 601852820 /nfs/dbraw/zinc/85/28/20/601852820.db2.gz PYWNBULCZZLLKG-CYBMUJFWSA-N -1 0 347.361 3.636 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2(Cc3ccccc3)CCC2)c(F)c1 ZINC000261991848 601855465 /nfs/dbraw/zinc/85/54/65/601855465.db2.gz YGJPRSHVRSDYMR-UHFFFAOYSA-N -1 0 327.355 3.875 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)Nc1nc2c(s1)CCCC2 ZINC000402975709 601858132 /nfs/dbraw/zinc/85/81/32/601858132.db2.gz LWNRDFFIXZVTAB-UHFFFAOYSA-N -1 0 339.461 3.569 20 0 EHADRM C[C@H]1CN(c2nc(Cl)c(C(=O)[O-])s2)C[C@H](c2ccsc2)O1 ZINC000828500640 601859561 /nfs/dbraw/zinc/85/95/61/601859561.db2.gz VUJFKYZSWHZJAN-IONNQARKSA-N -1 0 344.845 3.523 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)c2c(F)cccc2Cl)cc1 ZINC000833264793 601875824 /nfs/dbraw/zinc/87/58/24/601875824.db2.gz ZPBCUJSQXICPLB-UHFFFAOYSA-N -1 0 340.759 3.875 20 0 EHADRM CC1(C)CCCC[C@H]1NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000322310205 601897702 /nfs/dbraw/zinc/89/77/02/601897702.db2.gz YEAYWQOFCRUBNH-CYBMUJFWSA-N -1 0 326.343 3.753 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)c1nc(Cl)ccc1Cl ZINC000833130659 601915795 /nfs/dbraw/zinc/91/57/95/601915795.db2.gz UKFXTYGNPALCII-KOLCDFICSA-N -1 0 345.226 3.542 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000324217679 601927423 /nfs/dbraw/zinc/92/74/23/601927423.db2.gz PEGRQSRAIBXQRW-UHFFFAOYSA-N -1 0 327.311 3.509 20 0 EHADRM CCC[C@@H](NC(=O)[O-])C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000739320224 601929443 /nfs/dbraw/zinc/92/94/43/601929443.db2.gz DMJAMGJVWGKJMP-GFCCVEGCSA-N -1 0 333.413 3.549 20 0 EHADRM C[C@@H]1CCCN(C(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000828265565 601951362 /nfs/dbraw/zinc/95/13/62/601951362.db2.gz CMAGVEVYPGNXLP-SECBINFHSA-N -1 0 330.306 3.667 20 0 EHADRM O=C([O-])Cc1cccc(NC(=S)Nc2ccc(F)c(Cl)c2)c1 ZINC000738624888 601953604 /nfs/dbraw/zinc/95/36/04/601953604.db2.gz JGFVDWGTFPIZCE-UHFFFAOYSA-N -1 0 338.791 3.915 20 0 EHADRM CN(Cc1ccc(NCc2ccn(C3CCCC3)n2)cc1)C(=O)[O-] ZINC000830839566 601962198 /nfs/dbraw/zinc/96/21/98/601962198.db2.gz BEIOBDMAPQOHKH-UHFFFAOYSA-N -1 0 328.416 3.720 20 0 EHADRM CCO[C@@H]1CCCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000652394771 601972501 /nfs/dbraw/zinc/97/25/01/601972501.db2.gz FGXRHHLLOPEFPW-ZIAGYGMSSA-N -1 0 332.227 3.620 20 0 EHADRM O=C([O-])c1ccc(Cl)cc1OC(=O)/C=C\SCc1ccco1 ZINC000833092656 601972945 /nfs/dbraw/zinc/97/29/45/601972945.db2.gz JEEXVJYFKCRLKS-ALCCZGGFSA-N -1 0 338.768 3.984 20 0 EHADRM C[C@@H]1CCC[C@@H](C(=O)N(C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)C1 ZINC000828234164 601998303 /nfs/dbraw/zinc/99/83/03/601998303.db2.gz WCIOCKBAPYXESN-FCHSOHFDSA-N -1 0 343.345 3.514 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)OCc2ccc(C(=O)[O-])s2)cc1C ZINC000832911475 602001189 /nfs/dbraw/zinc/00/11/89/602001189.db2.gz ODZGUUULXUOPCN-UHFFFAOYSA-N -1 0 346.404 3.769 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)c2cc(-c3ccccc3)ccc2Cl)C1 ZINC000237655673 602003843 /nfs/dbraw/zinc/00/38/43/602003843.db2.gz ILROKDDYECPSID-IBGZPJMESA-N -1 0 343.810 3.944 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cc(-c3cccc(F)c3)no2)s1 ZINC000833353029 602004725 /nfs/dbraw/zinc/00/47/25/602004725.db2.gz NLPMYKWHESCSDG-UHFFFAOYSA-N -1 0 347.323 3.597 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000829014961 602012221 /nfs/dbraw/zinc/01/22/21/602012221.db2.gz WAPPTGBCNOAQBA-ZDUSSCGKSA-N -1 0 334.393 3.656 20 0 EHADRM CCC[C@@H](C)CC(=O)N(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000829208022 602013796 /nfs/dbraw/zinc/01/37/96/602013796.db2.gz HQDSMYWKVGJGHA-PSLIRLAXSA-N -1 0 331.334 3.514 20 0 EHADRM C[C@@H](NC(=O)[O-])[C@H]1CCCCN1C(=O)c1csc2ccccc12 ZINC000738998247 602016000 /nfs/dbraw/zinc/01/60/00/602016000.db2.gz CYTJDKLRIUHUEY-BXUZGUMPSA-N -1 0 332.425 3.552 20 0 EHADRM CCC(CC)CC(=O)N(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000828854609 602018289 /nfs/dbraw/zinc/01/82/89/602018289.db2.gz MRIWIQWYJLOLJY-HNNXBMFYSA-N -1 0 331.334 3.514 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)Nc1c(F)cccc1F ZINC000833149880 602025937 /nfs/dbraw/zinc/02/59/37/602025937.db2.gz AXQZASVWVCTWOB-ZWNOBZJWSA-N -1 0 326.343 3.510 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)Nc2ccc3c4c(cccc42)CC3)c1 ZINC000833146323 602028638 /nfs/dbraw/zinc/02/86/38/602028638.db2.gz GWYHXBYOZLASSO-UHFFFAOYSA-N -1 0 346.386 3.958 20 0 EHADRM CCS[C@H]1CC[C@H](N(C)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000830150749 602033187 /nfs/dbraw/zinc/03/31/87/602033187.db2.gz QLUPSXIEARIHRY-RYUDHWBXSA-N -1 0 340.420 3.662 20 0 EHADRM COc1ccc(NC(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])c(C)c1 ZINC000832404371 602037350 /nfs/dbraw/zinc/03/73/50/602037350.db2.gz WMYNDNQTHGATPV-GOEBONIOSA-N -1 0 334.416 3.549 20 0 EHADRM O=C([O-])NC1CCC(C(=O)N2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000740551147 602039405 /nfs/dbraw/zinc/03/94/05/602039405.db2.gz MCKSJJFQZHFNAT-AOCRQIFASA-N -1 0 344.455 3.609 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)Nc1cccc(SC(F)F)c1 ZINC000736422760 602040493 /nfs/dbraw/zinc/04/04/93/602040493.db2.gz ABAKYXMLVIGEKW-LLVKDONJSA-N -1 0 332.372 3.622 20 0 EHADRM C[C@H]1CC[C@H](C)N1C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000828214550 602043665 /nfs/dbraw/zinc/04/36/65/602043665.db2.gz PROZBYXUASEBOC-IUCAKERBSA-N -1 0 330.306 3.808 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)Nc1c(F)cc(F)cc1F ZINC000833150768 602045726 /nfs/dbraw/zinc/04/57/26/602045726.db2.gz PMRFRXARKKTOEF-GWCFXTLKSA-N -1 0 344.333 3.649 20 0 EHADRM CCc1nc2c(s1)[C@@H](N(C)C(=O)c1ccc(C(=O)[O-])cc1)CCC2 ZINC000191630494 602065273 /nfs/dbraw/zinc/06/52/73/602065273.db2.gz ORHPXCROEYWHIK-AWEZNQCLSA-N -1 0 344.436 3.553 20 0 EHADRM Cc1cc(CCCC(=O)Nc2cccc(CC(=O)[O-])c2)c(C)s1 ZINC000263142627 602066328 /nfs/dbraw/zinc/06/63/28/602066328.db2.gz JVQIXMAZKYQFJR-UHFFFAOYSA-N -1 0 331.437 3.953 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000345872346 602066359 /nfs/dbraw/zinc/06/63/59/602066359.db2.gz WDLVDIPJTSVLKN-ZDUSSCGKSA-N -1 0 329.421 3.681 20 0 EHADRM CCc1cccc2c(CC(=O)Nc3cccc(CC(=O)[O-])c3)c[nH]c21 ZINC000237003908 602067305 /nfs/dbraw/zinc/06/73/05/602067305.db2.gz LMTQZZOWQMRWMQ-UHFFFAOYSA-N -1 0 336.391 3.539 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Cc2csc3ccccc23)c1 ZINC000345892756 602071059 /nfs/dbraw/zinc/07/10/59/602071059.db2.gz VTRXTHSXPYDXMQ-UHFFFAOYSA-N -1 0 325.389 3.710 20 0 EHADRM CC(C)COc1ccccc1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737632688 602072703 /nfs/dbraw/zinc/07/27/03/602072703.db2.gz OCHIIVBXWWNNDP-UHFFFAOYSA-N -1 0 327.380 3.601 20 0 EHADRM Cc1ccc(-c2ocnc2C(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000345824201 602073199 /nfs/dbraw/zinc/07/31/99/602073199.db2.gz BSEHPBSATPPKBV-UHFFFAOYSA-N -1 0 336.347 3.529 20 0 EHADRM Cc1cccc([C@@H](NC(=O)N2CC[C@](C)(C(=O)[O-])C2)C(C)(C)C)c1 ZINC000263209963 602087115 /nfs/dbraw/zinc/08/71/15/602087115.db2.gz IQCKGIJSQQZUHS-BEFAXECRSA-N -1 0 332.444 3.588 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)N2CCOC3(C2)CCCCCC3)c1 ZINC000833289278 602095437 /nfs/dbraw/zinc/09/54/37/602095437.db2.gz RDDRMTGWPVVSBQ-UHFFFAOYSA-N -1 0 347.415 3.734 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)N1CC2(CC2)c2ccccc21 ZINC000833224646 602097163 /nfs/dbraw/zinc/09/71/63/602097163.db2.gz KGIVUULLHMUNTL-UHFFFAOYSA-N -1 0 330.428 3.673 20 0 EHADRM CC(C)OCCCOC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000827027831 602098480 /nfs/dbraw/zinc/09/84/80/602098480.db2.gz YVOZSZZVPNKNGA-UHFFFAOYSA-N -1 0 349.305 3.767 20 0 EHADRM CSCCc1ccc(NC(=O)Cc2ccc(NC(=O)[O-])cc2)cc1 ZINC000740013879 602099499 /nfs/dbraw/zinc/09/94/99/602099499.db2.gz FMQXBUZRZBILIS-UHFFFAOYSA-N -1 0 344.436 3.863 20 0 EHADRM O=C([O-])Nc1cc(C(=O)OCCC(F)(F)F)cc(C(F)(F)F)c1 ZINC000833283347 602099546 /nfs/dbraw/zinc/09/95/46/602099546.db2.gz HKFVSVPVMQOTEB-UHFFFAOYSA-N -1 0 345.195 3.905 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N[C@@H](CCc1ccccc1)c1ccccc1 ZINC000827272533 602105723 /nfs/dbraw/zinc/10/57/23/602105723.db2.gz OHOJMOJXJKGLDR-YJBOKZPZSA-N -1 0 325.408 3.588 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000739237974 602107922 /nfs/dbraw/zinc/10/79/22/602107922.db2.gz PSYORURIUKQJGL-BONVTDFDSA-N -1 0 347.440 3.739 20 0 EHADRM CCC[C@](C)(NC(=O)[O-])C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000739305345 602112449 /nfs/dbraw/zinc/11/24/49/602112449.db2.gz WHKGIHZLFNNFCI-INIZCTEOSA-N -1 0 333.413 3.575 20 0 EHADRM CCN(CC)C(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC000829658743 602112706 /nfs/dbraw/zinc/11/27/06/602112706.db2.gz OFQFQQIOCADQNZ-UHFFFAOYSA-N -1 0 342.395 3.838 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N[C@@H](c1ccc(C(C)(C)C)cc1)C(F)(F)F ZINC000827274953 602123182 /nfs/dbraw/zinc/12/31/82/602123182.db2.gz YVLZOKLQESEYMC-HZMBPMFUSA-N -1 0 345.361 3.815 20 0 EHADRM Cc1ccccc1-c1nc(CNc2ccc(F)c(NC(=O)[O-])c2)no1 ZINC000832973767 602128801 /nfs/dbraw/zinc/12/88/01/602128801.db2.gz CKKVHWMZVHRXAM-UHFFFAOYSA-N -1 0 342.330 3.886 20 0 EHADRM CCO[C@@H](CC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C)C(C)C ZINC000829912572 602131627 /nfs/dbraw/zinc/13/16/27/602131627.db2.gz LQEYVTZPRDUGKA-INIZCTEOSA-N -1 0 337.416 3.562 20 0 EHADRM CCC[C@](C)(NC(=O)[O-])C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 ZINC000739295020 602133674 /nfs/dbraw/zinc/13/36/74/602133674.db2.gz JRRUVDDZWFHJIG-SFHVURJKSA-N -1 0 345.399 3.723 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)Nc1ccc(-c2nc(C)c(C)o2)cc1 ZINC000739229456 602133989 /nfs/dbraw/zinc/13/39/89/602133989.db2.gz GLJMFSVRIXZJMN-MEBBXXQBSA-N -1 0 345.399 3.579 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N[C@@H](C)c1ccccc1Oc1ccccc1 ZINC000827271494 602139546 /nfs/dbraw/zinc/13/95/46/602139546.db2.gz JINCASTZISNJPH-KGLIPLIRSA-N -1 0 327.380 3.767 20 0 EHADRM CCC[C@@H](NC(=O)[C@@H](C)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000829222864 602141064 /nfs/dbraw/zinc/14/10/64/602141064.db2.gz HFRYIRYPGYKVOE-GXFFZTMASA-N -1 0 331.334 3.774 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000827304192 602142075 /nfs/dbraw/zinc/14/20/75/602142075.db2.gz QTEQNYQZMXYOHW-AWEZNQCLSA-N -1 0 349.390 3.589 20 0 EHADRM Cc1cccc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c1F ZINC000832963538 602144886 /nfs/dbraw/zinc/14/48/86/602144886.db2.gz WSGRXRGYSANTMB-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1ccc(Oc2ccncc2)cc1 ZINC000739300074 602145186 /nfs/dbraw/zinc/14/51/86/602145186.db2.gz HKLNUBKIWDNKQF-GOSISDBHSA-N -1 0 343.383 3.639 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000829009773 602149946 /nfs/dbraw/zinc/14/99/46/602149946.db2.gz PMIQQLCONSXBLQ-INIZCTEOSA-N -1 0 334.416 3.521 20 0 EHADRM O=C([O-])c1cccc(NC(=O)CSc2nccc3ccccc32)c1 ZINC000833115992 602159743 /nfs/dbraw/zinc/15/97/43/602159743.db2.gz JZPMIGZKLSYGBC-UHFFFAOYSA-N -1 0 338.388 3.664 20 0 EHADRM CN(CC(=O)Nc1ccccc1Oc1ccccc1Cl)C(=O)[O-] ZINC000739628581 602160337 /nfs/dbraw/zinc/16/03/37/602160337.db2.gz OHCDYPZKMUAJHT-UHFFFAOYSA-N -1 0 334.759 3.681 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)Nc1ccccc1O[C@H](C)c1ccccc1 ZINC000827316529 602163772 /nfs/dbraw/zinc/16/37/72/602163772.db2.gz ATYMLAWKLATUJD-ZIAGYGMSSA-N -1 0 327.380 3.876 20 0 EHADRM C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000828527755 602163786 /nfs/dbraw/zinc/16/37/86/602163786.db2.gz OHTHYLPXFOUTKI-JTQLQIEISA-N -1 0 346.333 3.814 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)CCCOCc1ccccc1 ZINC000740714324 602174439 /nfs/dbraw/zinc/17/44/39/602174439.db2.gz MTGYSQJQAPHVPN-UHFFFAOYSA-N -1 0 328.368 3.712 20 0 EHADRM CCCOc1ccc(C(=O)Nc2cc(C(=O)[O-])cs2)cc1OCC ZINC000584816895 602178570 /nfs/dbraw/zinc/17/85/70/602178570.db2.gz VWOBTHAXSVHLFO-UHFFFAOYSA-N -1 0 349.408 3.886 20 0 EHADRM Cc1cccc(CSCC(=O)Nc2ccccc2NC(=O)[O-])c1 ZINC000740167025 602179913 /nfs/dbraw/zinc/17/99/13/602179913.db2.gz SVQMBCYQYBVWQX-UHFFFAOYSA-N -1 0 330.409 3.957 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2cc(C(=O)[O-])cs2)cc1C ZINC000762140959 602181509 /nfs/dbraw/zinc/18/15/09/602181509.db2.gz LLIOSWJDMBMGOE-UHFFFAOYSA-N -1 0 331.393 3.665 20 0 EHADRM Cc1ccc(-c2ocnc2C(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000191358765 602184911 /nfs/dbraw/zinc/18/49/11/602184911.db2.gz ITTSJXKVMJVDGZ-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM COc1ccc2c(c1)CCC[C@@H]2CC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000569771425 602185792 /nfs/dbraw/zinc/18/57/92/602185792.db2.gz GSLYAKMRXCUKNB-GFCCVEGCSA-N -1 0 345.420 3.904 20 0 EHADRM CSc1cc(C(=O)N[C@H](CC(=O)[O-])C2CC2)c(Cl)cc1Cl ZINC000776629762 602193882 /nfs/dbraw/zinc/19/38/82/602193882.db2.gz GLHVLEPBMMHYNP-LLVKDONJSA-N -1 0 348.251 3.698 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739956195 602199030 /nfs/dbraw/zinc/19/90/30/602199030.db2.gz TXQRIWWBLKFXMB-JLHYYAGUSA-N -1 0 340.379 3.505 20 0 EHADRM COc1cccc(C2(NC(=O)Nc3ccc(C)c(C(=O)[O-])c3)CC2)c1 ZINC000832540861 602209552 /nfs/dbraw/zinc/20/95/52/602209552.db2.gz UXAXMAVEQXDVHW-UHFFFAOYSA-N -1 0 340.379 3.513 20 0 EHADRM C[C@H]1C[C@H](C)N(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)C1 ZINC000828168434 602224194 /nfs/dbraw/zinc/22/41/94/602224194.db2.gz OUXUNKVYLHWJNH-STQMWFEESA-N -1 0 342.395 3.565 20 0 EHADRM CCCCSc1nnc(SCC2CCN(C(=O)[O-])CC2)s1 ZINC000739343699 602231792 /nfs/dbraw/zinc/23/17/92/602231792.db2.gz YUKAZXIWCWJHNO-UHFFFAOYSA-N -1 0 347.531 3.912 20 0 EHADRM C[C@@H](NC(=O)Cc1ccc(NC(=O)[O-])cc1)C(C)(C)c1ccccc1 ZINC000738965197 602240985 /nfs/dbraw/zinc/24/09/85/602240985.db2.gz OOFSSJQUUPYPOS-CQSZACIVSA-N -1 0 340.423 3.802 20 0 EHADRM CCCC[C@@H](Sc1nnc(-c2cccc(Cl)c2)n1C)C(=O)[O-] ZINC000829296337 602243429 /nfs/dbraw/zinc/24/34/29/602243429.db2.gz QYLHQBAKUXUZMH-GFCCVEGCSA-N -1 0 339.848 3.871 20 0 EHADRM COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739907019 602243967 /nfs/dbraw/zinc/24/39/67/602243967.db2.gz NAHKHWOQAWZYLU-UHFFFAOYSA-N -1 0 346.770 3.641 20 0 EHADRM Cc1cc(C)c(NC(=O)c2ccc(CNC(=O)[O-])cc2)c(Cl)c1 ZINC000740065360 602246875 /nfs/dbraw/zinc/24/68/75/602246875.db2.gz JOZOHQHBZGJSBG-UHFFFAOYSA-N -1 0 332.787 3.977 20 0 EHADRM Cc1oc(-c2ccccc2)nc1CN1CCCC[C@H]1[C@@H](C)NC(=O)[O-] ZINC000740271438 602263938 /nfs/dbraw/zinc/26/39/38/602263938.db2.gz OPSLLKXJYNSCKW-DYVFJYSZSA-N -1 0 343.427 3.661 20 0 EHADRM CN(C)C(=O)Sc1cccc(CNc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000830568886 602302450 /nfs/dbraw/zinc/30/24/50/602302450.db2.gz AQGLCIUYXQTVKX-UHFFFAOYSA-N -1 0 348.399 3.910 20 0 EHADRM CC(C)c1ccccc1NC(=O)CNc1ccc(C(=O)[O-])c(F)c1 ZINC000827134416 602303086 /nfs/dbraw/zinc/30/30/86/602303086.db2.gz YGWFIHHPCMOWOR-UHFFFAOYSA-N -1 0 330.359 3.698 20 0 EHADRM CC[C@H](Nc1ccccc1)C(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000739267163 602304672 /nfs/dbraw/zinc/30/46/72/602304672.db2.gz DRMDAUKSEINJEU-KRWDZBQOSA-N -1 0 341.411 3.626 20 0 EHADRM Cc1ccccc1C1(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])CC1 ZINC000740188629 602306909 /nfs/dbraw/zinc/30/69/09/602306909.db2.gz WWEOLPQHZHDDDQ-UHFFFAOYSA-N -1 0 336.391 3.706 20 0 EHADRM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N(C)c2ncc(C(=O)[O-])s2)cc1 ZINC000827117590 602329724 /nfs/dbraw/zinc/32/97/24/602329724.db2.gz DPXVTQQMJCAQPG-KGLIPLIRSA-N -1 0 344.436 3.731 20 0 EHADRM CN(C(=O)c1cc2cccc(Cl)c2o1)c1ncc(C(=O)[O-])s1 ZINC000830524450 602339019 /nfs/dbraw/zinc/33/90/19/602339019.db2.gz ZTYZEVSXQVTANJ-UHFFFAOYSA-N -1 0 336.756 3.518 20 0 EHADRM C[C@@H](NC(=O)[C@H](NC(=O)[O-])c1ccccc1)c1ccccc1Cl ZINC000739023009 602340765 /nfs/dbraw/zinc/34/07/65/602340765.db2.gz WYLUKBOFJAUJRS-IAQYHMDHSA-N -1 0 332.787 3.526 20 0 EHADRM O=C([O-])c1occc1CN1CCCC[C@H]1c1nc2ccccc2o1 ZINC000833347012 602342801 /nfs/dbraw/zinc/34/28/01/602342801.db2.gz ZLFYJDYQMVTPDL-AWEZNQCLSA-N -1 0 326.352 3.846 20 0 EHADRM Cc1ccc(CC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)c(Cl)c1 ZINC000832929803 602345851 /nfs/dbraw/zinc/34/58/51/602345851.db2.gz QMDAPSRXSVCEBI-MRXNPFEDSA-N -1 0 349.789 3.662 20 0 EHADRM C[C@H](OC(=O)[C@H](C)Sc1ccccn1)c1ccc(C(=O)[O-])cc1 ZINC000827922250 602347362 /nfs/dbraw/zinc/34/73/62/602347362.db2.gz NTUOUNKXWZBWEU-RYUDHWBXSA-N -1 0 331.393 3.565 20 0 EHADRM CC(C)Sc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)[O-])cc1 ZINC000738870510 602352920 /nfs/dbraw/zinc/35/29/20/602352920.db2.gz ZLBUYQOOHCDEBU-DOMZBBRYSA-N -1 0 336.457 3.507 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000767200581 602354895 /nfs/dbraw/zinc/35/48/95/602354895.db2.gz KPFJTZMMQWLUCV-NSHDSACASA-N -1 0 333.384 3.891 20 0 EHADRM CCOc1ccc(SCC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000325920689 602356818 /nfs/dbraw/zinc/35/68/18/602356818.db2.gz QBGLXWVXGROAHN-UHFFFAOYSA-N -1 0 349.383 3.653 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000767200960 602358417 /nfs/dbraw/zinc/35/84/17/602358417.db2.gz JVUZGGHZJTXICY-LBPRGKRZSA-N -1 0 345.370 3.740 20 0 EHADRM CC(C)C[C@@H](NC(=O)C1CCC(NC(=O)[O-])CC1)c1ccccc1 ZINC000738805519 602363383 /nfs/dbraw/zinc/36/33/83/602363383.db2.gz BJJUSOLXBILTMW-OFLPRAFFSA-N -1 0 332.444 3.716 20 0 EHADRM O=C([O-])NC1(C(=O)Nc2ccc(Nc3ccccc3)cc2)CCCC1 ZINC000740542467 602372457 /nfs/dbraw/zinc/37/24/57/602372457.db2.gz HKYSKCFQFGLXOD-UHFFFAOYSA-N -1 0 339.395 3.949 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)[C@@H](C)c1ccccc1 ZINC000827671821 602375640 /nfs/dbraw/zinc/37/56/40/602375640.db2.gz LFZPPNYEYXAOAE-VXGBXAGGSA-N -1 0 330.359 3.838 20 0 EHADRM COc1ccc(C)cc1[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000832252185 602376182 /nfs/dbraw/zinc/37/61/82/602376182.db2.gz HVWIBGOCHIZIMY-LLVKDONJSA-N -1 0 346.358 3.724 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000828891201 602380510 /nfs/dbraw/zinc/38/05/10/602380510.db2.gz SNMYJZPPLROGOZ-INIZCTEOSA-N -1 0 343.427 3.517 20 0 EHADRM C[C@@H](NC(=O)[C@@H](NC(=O)[O-])c1ccccc1)c1ccc(Cl)s1 ZINC000739019115 602388215 /nfs/dbraw/zinc/38/82/15/602388215.db2.gz WBICSOIVENYBFJ-RNCFNFMXSA-N -1 0 338.816 3.588 20 0 EHADRM CC(C)c1cccc(C(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])n1 ZINC000827129850 602391207 /nfs/dbraw/zinc/39/12/07/602391207.db2.gz XKPSODKOGOVATB-QAPCUYQASA-N -1 0 344.455 3.701 20 0 EHADRM COc1ccc2oc(C)c(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)c2c1 ZINC000767202537 602393731 /nfs/dbraw/zinc/39/37/31/602393731.db2.gz UEJHYTRECXDRMP-UHFFFAOYSA-N -1 0 343.310 3.839 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000776646278 602394110 /nfs/dbraw/zinc/39/41/10/602394110.db2.gz IQDDCDQEWNCKBK-HNNXBMFYSA-N -1 0 331.343 3.628 20 0 EHADRM Cc1ccc(C)c([C@@H]2CCCN2C(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC000263508771 602397322 /nfs/dbraw/zinc/39/73/22/602397322.db2.gz YAZNADZIHNOZNH-HTWSVDAQSA-N -1 0 344.455 3.793 20 0 EHADRM O=C([O-])CN(C(=O)C[C@@H](c1ccccc1)C(F)(F)F)C1CCCC1 ZINC000621575202 602399466 /nfs/dbraw/zinc/39/94/66/602399466.db2.gz RCFZCXQOZLOQQI-AWEZNQCLSA-N -1 0 343.345 3.578 20 0 EHADRM O=C([O-])CN(C(=O)[C@H]1C[C@@H]1c1cccc2ccccc21)C1CCCC1 ZINC000833241967 602399631 /nfs/dbraw/zinc/39/96/31/602399631.db2.gz NOMYPIVTSSAHCM-MOPGFXCFSA-N -1 0 337.419 3.799 20 0 EHADRM O=C([O-])N1CCC[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000738641769 602405500 /nfs/dbraw/zinc/40/55/00/602405500.db2.gz OHZZJLMNLBIWIA-SNVBAGLBSA-N -1 0 341.289 3.613 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(-c2cnc(-c3ccco3)s2)n1 ZINC000738816457 602409473 /nfs/dbraw/zinc/40/94/73/602409473.db2.gz JXJIDPQLANYARZ-VIFPVBQESA-N -1 0 348.384 3.808 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(CNc2ccccc2Cl)n1 ZINC000738815207 602409609 /nfs/dbraw/zinc/40/96/09/602409609.db2.gz AUPRWZUHEISUFL-GFCCVEGCSA-N -1 0 338.795 3.690 20 0 EHADRM CC(C)Oc1ccc(-c2nc(C3(NC(=O)[O-])CCCC3)no2)cc1 ZINC000738865006 602414075 /nfs/dbraw/zinc/41/40/75/602414075.db2.gz XMJAVTGZANCJIC-UHFFFAOYSA-N -1 0 331.372 3.561 20 0 EHADRM O=C([O-])NC1(c2noc([C@H]3CCC[C@@H](C(F)(F)F)C3)n2)CCCC1 ZINC000740550374 602414478 /nfs/dbraw/zinc/41/44/78/602414478.db2.gz VBBOKPVBOHFZRW-VHSXEESVSA-N -1 0 347.337 3.943 20 0 EHADRM Cc1cc2occ(Cc3nc(C4(NC(=O)[O-])CCC4)no3)c2cc1C ZINC000740093774 602419104 /nfs/dbraw/zinc/41/91/04/602419104.db2.gz AFTWGTCKQQJNMP-UHFFFAOYSA-N -1 0 341.367 3.670 20 0 EHADRM C[C@@H](c1ccco1)N(C)C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000739061544 602458164 /nfs/dbraw/zinc/45/81/64/602458164.db2.gz WCZVYRZOFNQROQ-DZGCQCFKSA-N -1 0 330.384 3.588 20 0 EHADRM C[C@@H](CNC(=O)[O-])N(C)C(=S)Nc1ccccc1-c1ccccc1 ZINC000738942614 602458384 /nfs/dbraw/zinc/45/83/84/602458384.db2.gz WFKJFYKHFLKDKG-ZDUSSCGKSA-N -1 0 343.452 3.638 20 0 EHADRM CN(C(=O)CC[C@H](NC(=O)[O-])c1ccccc1)c1ccc(F)cc1 ZINC000739575249 602462063 /nfs/dbraw/zinc/46/20/63/602462063.db2.gz UPEAXSQDWNPITP-INIZCTEOSA-N -1 0 330.359 3.578 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2ccc(F)cc2Cl)ccc1F ZINC000740698065 602481370 /nfs/dbraw/zinc/48/13/70/602481370.db2.gz KZPGHVGEDVUOPF-UHFFFAOYSA-N -1 0 326.686 3.960 20 0 EHADRM CC(C)C[C@H](C)n1nccc1NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000738805336 602484210 /nfs/dbraw/zinc/48/42/10/602484210.db2.gz MTSZHXOQFRNJDI-NSHDSACASA-N -1 0 348.378 3.972 20 0 EHADRM CC[C@H](NC(=O)c1ccc(F)c(NC(=O)[O-])c1)c1ccccc1OC ZINC000739268079 602484559 /nfs/dbraw/zinc/48/45/59/602484559.db2.gz GMHMYWIABWZKLJ-AWEZNQCLSA-N -1 0 346.358 3.805 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CC[C@@H](c3ccccc3)C2)ccc1F ZINC000740693165 602487078 /nfs/dbraw/zinc/48/70/78/602487078.db2.gz QRTARQNJTXIBEZ-CQSZACIVSA-N -1 0 328.343 3.545 20 0 EHADRM CCOCc1cccc(NC(=O)c2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000739492236 602487651 /nfs/dbraw/zinc/48/76/51/602487651.db2.gz DWOUBJCLQBBTAV-UHFFFAOYSA-N -1 0 332.331 3.704 20 0 EHADRM CC[C@H](Cc1ccccc1)NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739258046 602488250 /nfs/dbraw/zinc/48/82/50/602488250.db2.gz BHFKKYOUQBYQIF-CQSZACIVSA-N -1 0 330.359 3.667 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)CSc2ccc(F)c(F)c2)cc1 ZINC000740709570 602501175 /nfs/dbraw/zinc/50/11/75/602501175.db2.gz LPUPJVKDJPYVOW-UHFFFAOYSA-N -1 0 338.335 3.786 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)CCCc2nc3ccccc3[nH]2)cc1 ZINC000740708372 602503099 /nfs/dbraw/zinc/50/30/99/602503099.db2.gz CQAVQIJVIGMKGX-UHFFFAOYSA-N -1 0 338.367 3.614 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)Cc3ccc(Cl)cc3)ccc21 ZINC000740391268 602506561 /nfs/dbraw/zinc/50/65/61/602506561.db2.gz UUEXNDCAWVEAAM-UHFFFAOYSA-N -1 0 344.798 3.952 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc21 ZINC000740464249 602507121 /nfs/dbraw/zinc/50/71/21/602507121.db2.gz FBTAHRVVQUJSOR-UHFFFAOYSA-N -1 0 335.363 3.851 20 0 EHADRM COCc1ccccc1C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739844589 602508315 /nfs/dbraw/zinc/50/83/15/602508315.db2.gz DCNVNSURTXOFQA-UHFFFAOYSA-N -1 0 340.379 3.516 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)C2(c3ccccc3)CCCC2)c1 ZINC000740674411 602516234 /nfs/dbraw/zinc/51/62/34/602516234.db2.gz PSHFCSOSOXVNFB-UHFFFAOYSA-N -1 0 338.407 3.905 20 0 EHADRM CN(C(=O)[O-])C1CCN(Cc2csc(-c3ccccc3F)n2)CC1 ZINC000737936881 602531520 /nfs/dbraw/zinc/53/15/20/602531520.db2.gz FKQBHXLZYAYIFT-UHFFFAOYSA-N -1 0 349.431 3.523 20 0 EHADRM Cc1cc(C)c(NC(=O)N2CCC(N(C)C(=O)[O-])CC2)c(Cl)c1 ZINC000738227371 602558679 /nfs/dbraw/zinc/55/86/79/602558679.db2.gz XQEFXBGHHYCCDC-UHFFFAOYSA-N -1 0 339.823 3.563 20 0 EHADRM CCCCCCOCC(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739328527 602568415 /nfs/dbraw/zinc/56/84/15/602568415.db2.gz DDNFMVUONMXUKM-UHFFFAOYSA-N -1 0 334.416 3.653 20 0 EHADRM CC[C@](C)(NC(=O)c1ccc(F)c(NC(=O)[O-])c1)c1ccccc1 ZINC000739220637 602568567 /nfs/dbraw/zinc/56/85/67/602568567.db2.gz WMEKNHPYQQXOCP-SFHVURJKSA-N -1 0 330.359 3.971 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)Nc1cc(Cl)ccc1O)c1ccccc1 ZINC000740539455 602569374 /nfs/dbraw/zinc/56/93/74/602569374.db2.gz KIEXDSQEQFKRLE-CYBMUJFWSA-N -1 0 348.786 3.773 20 0 EHADRM C[C@H](Nc1ccc2c(c1)CN(C(=O)[O-])CC2)c1nc(C(C)(C)C)no1 ZINC000739035087 602570464 /nfs/dbraw/zinc/57/04/64/602570464.db2.gz DMMLSWZKCGEAFS-NSHDSACASA-N -1 0 344.415 3.576 20 0 EHADRM COc1ccc([C@@H](C)C(=O)Nc2ccccc2CN(C)C(=O)[O-])cc1 ZINC000739897511 602570537 /nfs/dbraw/zinc/57/05/37/602570537.db2.gz WVCWHPYRBGWCLZ-CYBMUJFWSA-N -1 0 342.395 3.547 20 0 EHADRM O=C([O-])NC[C@@H]1CCCN(C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000740623223 602580509 /nfs/dbraw/zinc/58/05/09/602580509.db2.gz GYRCTASKBPLQSJ-VIFPVBQESA-N -1 0 346.214 3.505 20 0 EHADRM CCc1ccc(NC(=O)N2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)cc1 ZINC000739540598 602580598 /nfs/dbraw/zinc/58/05/98/602580598.db2.gz CMNGIYBPLLROHO-NVXWUHKLSA-N -1 0 345.443 3.635 20 0 EHADRM Cc1cc(F)ccc1NC(=O)N1CCC[C@@H]([C@H]2CCCN2C(=O)[O-])C1 ZINC000740076622 602582383 /nfs/dbraw/zinc/58/23/83/602582383.db2.gz AJNMLYKUSMLCAC-CZUORRHYSA-N -1 0 349.406 3.520 20 0 EHADRM CCN(CCCNC(=O)Nc1cccc(SC(F)F)c1)C(=O)[O-] ZINC000739420195 602596549 /nfs/dbraw/zinc/59/65/49/602596549.db2.gz SBHVYYBEDZZAIF-UHFFFAOYSA-N -1 0 347.387 3.513 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NC2CCCC2)c(C(F)(F)F)c1 ZINC000740710315 602598535 /nfs/dbraw/zinc/59/85/35/602598535.db2.gz OBDLLPYVTIIZOC-UHFFFAOYSA-N -1 0 331.294 3.859 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N[C@H]2CCc3c2cccc3F)cc1 ZINC000740709755 602600418 /nfs/dbraw/zinc/60/04/18/602600418.db2.gz DYYWJHKIEZRXNZ-HNNXBMFYSA-N -1 0 329.331 3.725 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N2CC[C@H](c3ccccc3)C2)cc1 ZINC000740710251 602601100 /nfs/dbraw/zinc/60/11/00/602601100.db2.gz LFLVHQPNFFLQBR-AWEZNQCLSA-N -1 0 325.368 3.798 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000740710561 602602708 /nfs/dbraw/zinc/60/27/08/602602708.db2.gz SNYGYJUMMWEDRP-INIZCTEOSA-N -1 0 325.368 3.976 20 0 EHADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000739313007 602640538 /nfs/dbraw/zinc/64/05/38/602640538.db2.gz LUSIMDHBNYYESQ-RDJZCZTQSA-N -1 0 343.427 3.658 20 0 EHADRM CCCCO[C@@H](C)C(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000739332170 602643431 /nfs/dbraw/zinc/64/34/31/602643431.db2.gz ANPDSZMLSZTPNG-VIFPVBQESA-N -1 0 348.321 3.939 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cscn2)c(C(F)(F)F)c1 ZINC000740711546 602644269 /nfs/dbraw/zinc/64/42/69/602644269.db2.gz FXPGJNDTVFBHCT-UHFFFAOYSA-N -1 0 331.275 3.504 20 0 EHADRM CCS[C@H]1CCCCN(C(=O)Nc2ccc(NC(=O)[O-])cc2)C1 ZINC000737228930 602674897 /nfs/dbraw/zinc/67/48/97/602674897.db2.gz HVXUTSDANVMEDU-AWEZNQCLSA-N -1 0 337.445 3.916 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)C1CCC(NC(=O)[O-])CC1)C(C)C ZINC000740181627 602690259 /nfs/dbraw/zinc/69/02/59/602690259.db2.gz DEFIWOJHJBDOMW-VMBOVVBDSA-N -1 0 332.444 3.635 20 0 EHADRM CC(C)(CCCc1ccccc1)C(=O)NC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738746587 602731873 /nfs/dbraw/zinc/73/18/73/602731873.db2.gz JLMQNZJZNHSOCH-KRWDZBQOSA-N -1 0 346.471 3.542 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2ccc(OCC3CC3)cc2)cc1 ZINC000738659784 602751689 /nfs/dbraw/zinc/75/16/89/602751689.db2.gz DLHMCXMBYROOLJ-UHFFFAOYSA-N -1 0 326.352 3.818 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)c2ccc(CNC(=O)[O-])o2)c2ccccc21 ZINC000825713532 602764763 /nfs/dbraw/zinc/76/47/63/602764763.db2.gz BSUHHNSLDRKQDP-OAHLLOKOSA-N -1 0 342.395 3.590 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)CCC(C)(C)NC(=O)[O-] ZINC000739884702 602784447 /nfs/dbraw/zinc/78/44/47/602784447.db2.gz GKOXQVNWEDZCHB-UHFFFAOYSA-N -1 0 336.432 3.758 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C)C(=O)CCC(C)(C)NC(=O)[O-] ZINC000739060739 602788999 /nfs/dbraw/zinc/78/89/99/602788999.db2.gz VGFLOCOMVNYFED-LLVKDONJSA-N -1 0 326.824 3.686 20 0 EHADRM CC[C@H](NC(=O)CCC(C)(C)NC(=O)[O-])c1cccc(Cl)c1 ZINC000739261976 602789176 /nfs/dbraw/zinc/78/91/76/602789176.db2.gz IETOPMZXFPKYNB-ZDUSSCGKSA-N -1 0 326.824 3.734 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)N2CCC[C@H](NC(=O)[O-])C2)cc1 ZINC000737652821 602794638 /nfs/dbraw/zinc/79/46/38/602794638.db2.gz VIINXTZNJAGQMC-YOEHRIQHSA-N -1 0 332.444 3.562 20 0 EHADRM O=C([O-])N1CCC(N(C(=O)CC/C=C\c2ccccc2)C2CC2)CC1 ZINC000740502971 602796141 /nfs/dbraw/zinc/79/61/41/602796141.db2.gz WMDIWNJWZLBPBZ-YWEYNIOJSA-N -1 0 342.439 3.613 20 0 EHADRM C[C@@H](C(=O)Nc1cccc2c1CCN(C(=O)[O-])C2)c1ccsc1 ZINC000738641229 602807291 /nfs/dbraw/zinc/80/72/91/602807291.db2.gz ZEUQLDSTTDXSID-LLVKDONJSA-N -1 0 330.409 3.526 20 0 EHADRM CC(C)CC[C@@H](NC(=O)N1CCC(CNC(=O)[O-])CC1)C(C)(C)C ZINC000738819118 602807397 /nfs/dbraw/zinc/80/73/97/602807397.db2.gz JUSIMKDUFAJNPF-OAHLLOKOSA-N -1 0 341.496 3.527 20 0 EHADRM C[C@@H](C(=O)Nc1cccc2[nH]ccc21)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823724207 602809990 /nfs/dbraw/zinc/80/99/90/602809990.db2.gz OLJHBWDMIAKGAR-SJKOYZFVSA-N -1 0 337.379 3.751 20 0 EHADRM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)CCC(C)(C)NC(=O)[O-])C1 ZINC000740182384 602811039 /nfs/dbraw/zinc/81/10/39/602811039.db2.gz VFYGTMGJVAYALR-GJZGRUSLSA-N -1 0 332.444 3.526 20 0 EHADRM COc1cccc2c1N(C(=O)c1ccc(C)c(NC(=O)[O-])c1)CCC2 ZINC000829580923 602812529 /nfs/dbraw/zinc/81/25/29/602812529.db2.gz NHPUERHEGOAMKH-UHFFFAOYSA-N -1 0 340.379 3.687 20 0 EHADRM CC[C@@H](NC(=O)[C@@H](NC(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000739268398 602846521 /nfs/dbraw/zinc/84/65/21/602846521.db2.gz QYJYTWTXSRHACD-CVEARBPZSA-N -1 0 348.349 3.541 20 0 EHADRM CC[C@@H](NC(=O)[C@H](NC(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000739272563 602846780 /nfs/dbraw/zinc/84/67/80/602846780.db2.gz QYJYTWTXSRHACD-HZPDHXFCSA-N -1 0 348.349 3.541 20 0 EHADRM CC(C)c1ccc([C@@H](CNC(=O)CCC(F)(F)F)NC(=O)[O-])cc1 ZINC000824465059 602850673 /nfs/dbraw/zinc/85/06/73/602850673.db2.gz YKAIEKMVTBKJDC-CYBMUJFWSA-N -1 0 346.349 3.577 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)c2ccc(CNC(=O)[O-])o2)cc1 ZINC000827509030 602851344 /nfs/dbraw/zinc/85/13/44/602851344.db2.gz VPKQXZVCIAKZCO-NSHDSACASA-N -1 0 348.424 3.650 20 0 EHADRM CSCc1cccc(NC(=O)c2ccc(NC(=O)[O-])cc2O)c1 ZINC000740020983 602863704 /nfs/dbraw/zinc/86/37/04/602863704.db2.gz KEIUDMBUKTUNLQ-UHFFFAOYSA-N -1 0 332.381 3.597 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)N1CCC[C@@H]1c1ccco1)c1ccccc1 ZINC000740540407 602880397 /nfs/dbraw/zinc/88/03/97/602880397.db2.gz UIYBYJSNGZIVOT-JKSUJKDBSA-N -1 0 342.395 3.732 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000738959088 602936765 /nfs/dbraw/zinc/93/67/65/602936765.db2.gz JGHJIIRQHCTGOC-RLCGTCKNSA-N -1 0 345.226 3.607 20 0 EHADRM C[C@H](NC(=O)CC(C)(C)NC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000738956825 602936858 /nfs/dbraw/zinc/93/68/58/602936858.db2.gz GUGVKJUSPVIVKO-QMMMGPOBSA-N -1 0 333.215 3.607 20 0 EHADRM COc1cc(NC(=O)N2CCC[C@@H]2c2ccco2)ccc1NC(=O)[O-] ZINC000739865223 602940672 /nfs/dbraw/zinc/94/06/72/602940672.db2.gz DNTMWUBKPSCOCL-CYBMUJFWSA-N -1 0 345.355 3.747 20 0 EHADRM CC(C)(CC(=O)N(Cc1cccc(F)c1)C1CCCC1)NC(=O)[O-] ZINC000738730382 602950620 /nfs/dbraw/zinc/95/06/20/602950620.db2.gz OXWBYMWKRMXLGH-UHFFFAOYSA-N -1 0 336.407 3.533 20 0 EHADRM CC(C)COc1ccc(NC(=O)c2ccc(F)c(NC(=O)[O-])c2)cn1 ZINC000738833638 602951068 /nfs/dbraw/zinc/95/10/68/602951068.db2.gz RAGZIXPYLTVNAG-UHFFFAOYSA-N -1 0 347.346 3.598 20 0 EHADRM Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])c1 ZINC000740067874 602951321 /nfs/dbraw/zinc/95/13/21/602951321.db2.gz XIVDEPBWSILSRM-UHFFFAOYSA-N -1 0 325.368 3.988 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)CCC(=O)c2ccc(Cl)cc2)cc1 ZINC000738668180 602958064 /nfs/dbraw/zinc/95/80/64/602958064.db2.gz XIHKGEOXTZZELY-UHFFFAOYSA-N -1 0 347.754 3.998 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000824404971 602961116 /nfs/dbraw/zinc/96/11/16/602961116.db2.gz OYIOPFYODJUJAI-LLVKDONJSA-N -1 0 340.807 3.598 20 0 EHADRM COc1cc(NC(=O)[C@@H](C)c2cccc(C)c2)ccc1NC(=O)[O-] ZINC000739869328 602961132 /nfs/dbraw/zinc/96/11/32/602961132.db2.gz WZZBDSUXVGBTDO-LBPRGKRZSA-N -1 0 328.368 3.836 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)COc2ccc3ccccc3c2)cc1 ZINC000738669003 602962900 /nfs/dbraw/zinc/96/29/00/602962900.db2.gz HLBODMGFOHJULA-UHFFFAOYSA-N -1 0 337.331 3.914 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)c2csc(-c3ccoc3)n2)cc1 ZINC000738668744 602964476 /nfs/dbraw/zinc/96/44/76/602964476.db2.gz KTWOPAFPXABYAH-UHFFFAOYSA-N -1 0 330.321 3.712 20 0 EHADRM COc1ccc(S[C@H](C)C(=O)Oc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738107718 602967979 /nfs/dbraw/zinc/96/79/79/602967979.db2.gz PNOPPYRLWZNSRZ-LLVKDONJSA-N -1 0 347.392 3.871 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)[C@H]2CCSc3ccccc32)cc1 ZINC000738666988 602968621 /nfs/dbraw/zinc/96/86/21/602968621.db2.gz KETUSECYOZHKSG-AWEZNQCLSA-N -1 0 329.377 3.962 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)CCCOc2cccc(F)c2)cc1 ZINC000738667532 602969187 /nfs/dbraw/zinc/96/91/87/602969187.db2.gz RDEXQYBYPMHTBN-UHFFFAOYSA-N -1 0 333.315 3.680 20 0 EHADRM COc1ccc(NC(=O)NC(C)(C)c2cccs2)cc1NC(=O)[O-] ZINC000739920564 602971091 /nfs/dbraw/zinc/97/10/91/602971091.db2.gz RPNBRXFHYMOYEH-UHFFFAOYSA-N -1 0 349.412 3.903 20 0 EHADRM CC[C@@H]1CCCN(C(=O)Nc2ccc(OC)c(NC(=O)[O-])c2)CC1 ZINC000739273624 602997453 /nfs/dbraw/zinc/99/74/53/602997453.db2.gz UNTIHSHMORHRKI-GFCCVEGCSA-N -1 0 335.404 3.829 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc([C@H](C)Oc2cccc(F)c2)n1 ZINC000738817052 603000164 /nfs/dbraw/zinc/00/01/64/603000164.db2.gz OXYIIXWGWFZZQC-GXFFZTMASA-N -1 0 337.351 3.704 20 0 EHADRM CC[C@@H](C)[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccccc1 ZINC000739222164 603004921 /nfs/dbraw/zinc/00/49/21/603004921.db2.gz DXPJSHCYZMYQBE-FSUMODHMSA-N -1 0 344.455 3.606 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)c2cc3cc(F)ccc3o2)c1 ZINC000739918630 603006699 /nfs/dbraw/zinc/00/66/99/603006699.db2.gz VKZDZPSXHCJCEL-UHFFFAOYSA-N -1 0 344.298 3.923 20 0 EHADRM C[C@H](C(=O)N1C2CCCC1CCC2)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823662349 603006682 /nfs/dbraw/zinc/00/66/82/603006682.db2.gz NHVLJJLYHAVTPU-YJNKEBTESA-N -1 0 330.428 3.565 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2cc(F)c(F)c(F)c2)ccc1F ZINC000740696293 603009508 /nfs/dbraw/zinc/00/95/08/603009508.db2.gz AMJJHABFQNAJOX-UHFFFAOYSA-N -1 0 328.221 3.585 20 0 EHADRM C[C@@H](NC(=O)CCCN(C)C(=O)[O-])c1cccc(Cl)c1Cl ZINC000736638066 603017409 /nfs/dbraw/zinc/01/74/09/603017409.db2.gz ZLNONRQCWXTLBF-SECBINFHSA-N -1 0 333.215 3.561 20 0 EHADRM C[C@@H](NC(=O)C1CCN(C(=O)[O-])CC1)c1cccc(Cl)c1Cl ZINC000737677356 603017642 /nfs/dbraw/zinc/01/76/42/603017642.db2.gz VKMPFJHTOYGAKJ-SECBINFHSA-N -1 0 345.226 3.561 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)NC2CC(c3ccccc3)C2)c1 ZINC000740707497 603040126 /nfs/dbraw/zinc/04/01/26/603040126.db2.gz RGUDHJOAFWXOCL-UHFFFAOYSA-N -1 0 343.358 3.983 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)c2cc(Cl)c(Cl)n2C)cc1 ZINC000827914301 603044372 /nfs/dbraw/zinc/04/43/72/603044372.db2.gz MQIGYESUCOXUMG-UHFFFAOYSA-N -1 0 343.166 3.665 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)c2cnc(-c3ccco3)s2)cc1 ZINC000827921772 603052268 /nfs/dbraw/zinc/05/22/68/603052268.db2.gz RGZUCAILAVJBCE-UHFFFAOYSA-N -1 0 344.348 3.737 20 0 EHADRM CO[C@@H](CNC(=O)c1cccc(NC(=O)[O-])c1)c1cccc(Cl)c1 ZINC000828849359 603097441 /nfs/dbraw/zinc/09/74/41/603097441.db2.gz MNEGEKHBHJMEJS-HNNXBMFYSA-N -1 0 348.786 3.547 20 0 EHADRM COc1ccc(NCCCOc2ccc(F)cc2)cc1NC(=O)[O-] ZINC000739924948 603101962 /nfs/dbraw/zinc/10/19/62/603101962.db2.gz FJHZKJFDEOZOIP-UHFFFAOYSA-N -1 0 334.347 3.805 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000739016584 603102075 /nfs/dbraw/zinc/10/20/75/603102075.db2.gz JCBYITNRCKGSNY-NSHDSACASA-N -1 0 347.802 3.719 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)NC2CCC(NC(=O)[O-])CC2)c(C)c1 ZINC000740112271 603103281 /nfs/dbraw/zinc/10/32/81/603103281.db2.gz BRGDCTRTXGAMHM-FHERZECASA-N -1 0 347.459 3.585 20 0 EHADRM CCC[C@@](C)(NC(=O)[O-])C(=O)O[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000739297710 603104972 /nfs/dbraw/zinc/10/49/72/603104972.db2.gz RSHHADIRLQTPPD-KPZWWZAWSA-N -1 0 346.383 3.772 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)NC2CCC(NC(=O)[O-])CC2)c1 ZINC000739247756 603138714 /nfs/dbraw/zinc/13/87/14/603138714.db2.gz FHFVULJCGMVAEA-HSBZDZAISA-N -1 0 349.431 3.564 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)NC1CCC(NC(=O)[O-])CC1)c1ccccc1 ZINC000738674465 603143573 /nfs/dbraw/zinc/14/35/73/603143573.db2.gz FGIZBMWLIRIVIO-GPANFISMSA-N -1 0 347.459 3.652 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)OCc1cc(Cl)ccn1)c1ccccc1 ZINC000740540285 603144124 /nfs/dbraw/zinc/14/41/24/603144124.db2.gz NSSHJOXLSFIXBM-OAHLLOKOSA-N -1 0 348.786 3.567 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739883673 603151855 /nfs/dbraw/zinc/15/18/55/603151855.db2.gz CSYODFYHXWABDH-OCCSQVGLSA-N -1 0 348.443 3.758 20 0 EHADRM CSc1ccc(NC(=O)[C@@H](C)Oc2ccc(NC(=O)[O-])cc2)cc1 ZINC000829766925 603157260 /nfs/dbraw/zinc/15/72/60/603157260.db2.gz UWLCBYJBPJOAKY-LLVKDONJSA-N -1 0 346.408 3.904 20 0 EHADRM Cc1cccc(NC(=O)[C@H](C)Oc2ccc(NC(=O)[O-])cc2)c1C ZINC000830511292 603159173 /nfs/dbraw/zinc/15/91/73/603159173.db2.gz GRNXLCNAAURHBJ-ZDUSSCGKSA-N -1 0 328.368 3.799 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@H](C(=O)Nc2ccc(Cl)c3cccnc23)C1 ZINC000740577160 603163401 /nfs/dbraw/zinc/16/34/01/603163401.db2.gz VTNSJBKRPGFSPL-QWRGUYRKSA-N -1 0 347.802 3.653 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739056085 603164548 /nfs/dbraw/zinc/16/45/48/603164548.db2.gz ZNTMKWCAUGXGFJ-UXIGCNINSA-N -1 0 338.835 3.686 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)c(C)c1 ZINC000740108718 603166767 /nfs/dbraw/zinc/16/67/67/603166767.db2.gz BHPRHDJAXZKIFE-ARFHVFGLSA-N -1 0 332.444 3.649 20 0 EHADRM COc1ccc(NC(=O)c2cc3occc3s2)cc1NC(=O)[O-] ZINC000739924219 603168111 /nfs/dbraw/zinc/16/81/11/603168111.db2.gz PVZDVXDWSOUHFJ-UHFFFAOYSA-N -1 0 332.337 3.845 20 0 EHADRM CCCOc1cc(C)ccc1NC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739361575 603175586 /nfs/dbraw/zinc/17/55/86/603175586.db2.gz PXSNSUCMSKNKSS-KGLIPLIRSA-N -1 0 334.416 3.549 20 0 EHADRM C[C@H]1CN(C(=S)Nc2ccc3ccccc3c2)CC[C@H]1NC(=O)[O-] ZINC000739177790 603176227 /nfs/dbraw/zinc/17/62/27/603176227.db2.gz PIXXWFNBNCELIU-BLLLJJGKSA-N -1 0 343.452 3.515 20 0 EHADRM CCCOc1ccc(NC(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)c(C)c1 ZINC000739363908 603177599 /nfs/dbraw/zinc/17/75/99/603177599.db2.gz LVGWQIROTREDSO-KBPBESRZSA-N -1 0 334.416 3.549 20 0 EHADRM CCCCOc1ccccc1NC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739338173 603177641 /nfs/dbraw/zinc/17/76/41/603177641.db2.gz BVCZGKVCATWZCE-ZIAGYGMSSA-N -1 0 334.416 3.630 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)CCOc2ccccc2F)cc1 ZINC000825418164 603184546 /nfs/dbraw/zinc/18/45/46/603184546.db2.gz SSTGELUWUSJFJV-LBPRGKRZSA-N -1 0 346.358 3.562 20 0 EHADRM Cc1ccccc1NCCC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000830586440 603192801 /nfs/dbraw/zinc/19/28/01/603192801.db2.gz MUZFKMYAYSSHSE-AWEZNQCLSA-N -1 0 341.411 3.764 20 0 EHADRM CC(C)(NC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000738753756 603193039 /nfs/dbraw/zinc/19/30/39/603193039.db2.gz YETPTHQLEMILKC-FZMZJTMJSA-N -1 0 338.835 3.518 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2F)C1 ZINC000740576699 603194371 /nfs/dbraw/zinc/19/43/71/603194371.db2.gz VDYZKZWMVKJTMO-SCZZXKLOSA-N -1 0 348.296 3.609 20 0 EHADRM CC(=O)c1cccc(OC(=O)c2ccc(NC(=O)[O-])cc2Cl)c1 ZINC000738602377 603202374 /nfs/dbraw/zinc/20/23/74/603202374.db2.gz QQPNGPBTMZNACZ-UHFFFAOYSA-N -1 0 333.727 3.852 20 0 EHADRM CC[C@H](NC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1)c1ccc(Cl)s1 ZINC000739262320 603206868 /nfs/dbraw/zinc/20/68/68/603206868.db2.gz ZRXUHVLRXXFHSC-DCAQKATOSA-N -1 0 344.864 3.795 20 0 EHADRM CCS[C@@H]1CC[C@H](N(C)C(=O)c2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000827494681 603209238 /nfs/dbraw/zinc/20/92/38/603209238.db2.gz CRTGLTPZQGEHKQ-NWDGAFQWSA-N -1 0 340.420 3.662 20 0 EHADRM Cc1ccc(CNC(=O)c2ccc(NC(=O)[O-])cc2Cl)cc1F ZINC000740128565 603209585 /nfs/dbraw/zinc/20/95/85/603209585.db2.gz AEAOCCQLLSNDFL-UHFFFAOYSA-N -1 0 336.750 3.807 20 0 EHADRM C[C@@H](C(=O)N[C@@H](C)c1ccccc1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823714672 603209797 /nfs/dbraw/zinc/20/97/97/603209797.db2.gz QMODDHKZTCUKMY-KEYYUXOJSA-N -1 0 326.396 3.509 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000739050619 603213953 /nfs/dbraw/zinc/21/39/53/603213953.db2.gz BDIUQBNOIGYMIM-UWVGGRQHSA-N -1 0 345.226 3.513 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(F)cc1F)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823715207 603216316 /nfs/dbraw/zinc/21/63/16/603216316.db2.gz RGGJKOMFLHYHJM-BMIGLBTASA-N -1 0 334.322 3.548 20 0 EHADRM COCc1ccc(CNC(=O)c2ccc(NC(=O)[O-])cc2Cl)cc1 ZINC000739843855 603218063 /nfs/dbraw/zinc/21/80/63/603218063.db2.gz WBPYNTVWJYQZQR-UHFFFAOYSA-N -1 0 348.786 3.506 20 0 EHADRM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2ccc(CNC(=O)[O-])o2)o1 ZINC000830282181 603230696 /nfs/dbraw/zinc/23/06/96/603230696.db2.gz OOPDXPCQFNTHKT-BXUZGUMPSA-N -1 0 346.383 3.562 20 0 EHADRM C[C@H](NC(=O)[O-])C(=O)Nc1ccccc1OCc1cccc(Cl)c1 ZINC000738996777 603235283 /nfs/dbraw/zinc/23/52/83/603235283.db2.gz ZPZCKYGKPXKIJH-NSHDSACASA-N -1 0 348.786 3.514 20 0 EHADRM C[C@H](NC(=O)c1ccc(CNC(=O)[O-])o1)c1ccc2ccccc2c1 ZINC000825460104 603235454 /nfs/dbraw/zinc/23/54/54/603235454.db2.gz XBIGYQCVMILMDG-LBPRGKRZSA-N -1 0 338.363 3.691 20 0 EHADRM C[C@@H](C(=O)N[C@@H](C)c1cccs1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000825067004 603236619 /nfs/dbraw/zinc/23/66/19/603236619.db2.gz QSIPTWWSMYGXAB-XUJVJEKNSA-N -1 0 332.425 3.570 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N2CCc3ccccc32)cc1 ZINC000825426510 603249214 /nfs/dbraw/zinc/24/92/14/603249214.db2.gz FVURCEQYDYFLRF-GFCCVEGCSA-N -1 0 325.368 3.610 20 0 EHADRM CN(C[C@@H]1CCCN1C(=O)Nc1ccccc1C(C)(C)C)C(=O)[O-] ZINC000828210830 603251437 /nfs/dbraw/zinc/25/14/37/603251437.db2.gz AJCOTYMONRKMGJ-ZDUSSCGKSA-N -1 0 333.432 3.590 20 0 EHADRM CCc1ccc(CCNC(=O)c2ccc(NC(=O)[O-])cc2Cl)cc1 ZINC000739542046 603252421 /nfs/dbraw/zinc/25/24/21/603252421.db2.gz MDMRLIHKWVROLT-UHFFFAOYSA-N -1 0 346.814 3.965 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)c1 ZINC000740028976 603254575 /nfs/dbraw/zinc/25/45/75/603254575.db2.gz MJNJEZLJXZJPNS-SMDDNHRTSA-N -1 0 348.761 3.855 20 0 EHADRM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(NC(=O)[O-])cc2)C12CCCC2 ZINC000737157762 603261034 /nfs/dbraw/zinc/26/10/34/603261034.db2.gz MUDBUILPZCANNI-HZPDHXFCSA-N -1 0 346.427 3.586 20 0 EHADRM CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(NC(=O)[O-])cc2)C12CCCC2 ZINC000737157761 603261037 /nfs/dbraw/zinc/26/10/37/603261037.db2.gz MUDBUILPZCANNI-HOTGVXAUSA-N -1 0 346.427 3.586 20 0 EHADRM COc1ccc(NC(=O)N([C@H](C)C2CC2)C2CC2)cc1NC(=O)[O-] ZINC000829461063 603270799 /nfs/dbraw/zinc/27/07/99/603270799.db2.gz TWBPRQJNKJLKHI-SNVBAGLBSA-N -1 0 333.388 3.580 20 0 EHADRM COc1ccc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1NC(=O)[O-] ZINC000829465202 603270845 /nfs/dbraw/zinc/27/08/45/603270845.db2.gz KOLSWEXGILPJIZ-YNEHKIRRSA-N -1 0 347.415 3.875 20 0 EHADRM COc1ccc(NC(=O)N2CCC3(CCCC3)C2)cc1NC(=O)[O-] ZINC000829461239 603271032 /nfs/dbraw/zinc/27/10/32/603271032.db2.gz WPUGYBWYOQUEAX-UHFFFAOYSA-N -1 0 333.388 3.583 20 0 EHADRM Cc1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2)cc1NC(=O)[O-] ZINC000830191455 603272099 /nfs/dbraw/zinc/27/20/99/603272099.db2.gz ARYHCOWTLMGHLC-QGZVFWFLSA-N -1 0 338.407 3.932 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCC[C@@H]2c2ccc[nH]2)c(Cl)c1 ZINC000740700048 603277057 /nfs/dbraw/zinc/27/70/57/603277057.db2.gz PLSBGGVFBMTKHR-CQSZACIVSA-N -1 0 333.775 3.735 20 0 EHADRM CCc1ccccc1NC(=O)[C@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000827598883 603279521 /nfs/dbraw/zinc/27/95/21/603279521.db2.gz AJLJQCMXLPUFNJ-DYVFJYSZSA-N -1 0 326.396 3.833 20 0 EHADRM COc1cc(NC(=O)N2C[C@H](C)CCC[C@@H]2C)ccc1NC(=O)[O-] ZINC000829158357 603281291 /nfs/dbraw/zinc/28/12/91/603281291.db2.gz ANWAJARNNQTWFE-NEPJUHHUSA-N -1 0 335.404 3.828 20 0 EHADRM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736763798 603293745 /nfs/dbraw/zinc/29/37/45/603293745.db2.gz VOSULZFKNQFZSY-DOMZBBRYSA-N -1 0 342.370 3.934 20 0 EHADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)c1ccc(CNC(=O)[O-])o1 ZINC000825630263 603301098 /nfs/dbraw/zinc/30/10/98/603301098.db2.gz PJSASCUQYAWVRS-SNVBAGLBSA-N -1 0 336.775 3.534 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)N[C@@H]3CC[C@@H]4CCC[C@@H]4C3)ccc21 ZINC000831773231 603304146 /nfs/dbraw/zinc/30/41/46/603304146.db2.gz TXJJBYZYYNFKSH-GZBFAFLISA-N -1 0 343.427 3.817 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(NC(=O)[O-])cc1)c1ccc(F)cc1F ZINC000824937942 603310047 /nfs/dbraw/zinc/31/00/47/603310047.db2.gz FDVOKWNYWWINCZ-SNVBAGLBSA-N -1 0 349.337 3.980 20 0 EHADRM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000825772261 603310892 /nfs/dbraw/zinc/31/08/92/603310892.db2.gz GLGAXYJVANVHRM-YJBOKZPZSA-N -1 0 325.368 3.628 20 0 EHADRM COc1c(C)ccc(NC(=O)c2ccc(C)c(NC(=O)[O-])c2)c1C ZINC000829065824 603312087 /nfs/dbraw/zinc/31/20/87/603312087.db2.gz BEPUERINSTWBKW-UHFFFAOYSA-N -1 0 328.368 3.963 20 0 EHADRM CN(CCCNC(=O)[O-])C(=O)Nc1ccc(-c2ccccc2)cc1F ZINC000739676834 603316272 /nfs/dbraw/zinc/31/62/72/603316272.db2.gz VMWUOWBVCDECBM-UHFFFAOYSA-N -1 0 345.374 3.614 20 0 EHADRM O=C([O-])N1CCc2ccc(NC(=O)N3CCC4(CCCC4)C3)cc2C1 ZINC000832079567 603322633 /nfs/dbraw/zinc/32/26/33/603322633.db2.gz MGHYSJVIXSBSIV-UHFFFAOYSA-N -1 0 343.427 3.521 20 0 EHADRM CN(CCC1CCCCC1)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739665149 603323787 /nfs/dbraw/zinc/32/37/87/603323787.db2.gz YAFRUOPNQKGXHQ-UHFFFAOYSA-N -1 0 333.432 3.888 20 0 EHADRM Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000740156102 603323885 /nfs/dbraw/zinc/32/38/85/603323885.db2.gz WNUWPPKTXGJMGO-QGZVFWFLSA-N -1 0 339.395 3.572 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2cccc(CNC(=O)[O-])c2)c(C)c1 ZINC000740115531 603327435 /nfs/dbraw/zinc/32/74/35/603327435.db2.gz VZVMAUNXTQPZHX-CQSZACIVSA-N -1 0 341.411 3.954 20 0 EHADRM C[C@@H]1CCC[C@@H](C)N(C(=O)Nc2ccccc2CN(C)C(=O)[O-])C1 ZINC000825889304 603327700 /nfs/dbraw/zinc/32/77/00/603327700.db2.gz WIVHQVRYPUXQRL-ZIAGYGMSSA-N -1 0 333.432 3.839 20 0 EHADRM C[C@@H](C(=O)Nc1ccc2ncccc2c1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823716227 603340366 /nfs/dbraw/zinc/34/03/66/603340366.db2.gz ZEBGHTJBCNZBKN-ACJLOTCBSA-N -1 0 349.390 3.818 20 0 EHADRM CCN(Cc1ccccc1NC(=O)c1cc(C)cc(F)c1)C(=O)[O-] ZINC000827186680 603352513 /nfs/dbraw/zinc/35/25/13/603352513.db2.gz ATXQOMWESUJAJX-UHFFFAOYSA-N -1 0 330.359 3.886 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)c1ccc(CNC(=O)[O-])o1 ZINC000829860387 603356325 /nfs/dbraw/zinc/35/63/25/603356325.db2.gz YMHPLCCHZJJJMD-LLVKDONJSA-N -1 0 342.351 3.593 20 0 EHADRM CC(C)Cn1cc(NC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)cn1 ZINC000824318596 603360056 /nfs/dbraw/zinc/36/00/56/603360056.db2.gz NYXUIGAMVCNNCF-GFCCVEGCSA-N -1 0 345.403 3.512 20 0 EHADRM Cc1ccc(CN(C)C(=O)Nc2cccc(CN(C)C(=O)[O-])c2)s1 ZINC000740122629 603364234 /nfs/dbraw/zinc/36/42/34/603364234.db2.gz QUYQSIHJWZUCJG-UHFFFAOYSA-N -1 0 347.440 3.830 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1)c1ccncc1 ZINC000826613586 603366696 /nfs/dbraw/zinc/36/66/96/603366696.db2.gz MMVINKZJWBNPGF-WBMJQRKESA-N -1 0 342.399 3.683 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N(C)Cc2ccccc2)cc1 ZINC000825421935 603367707 /nfs/dbraw/zinc/36/77/07/603367707.db2.gz DAWKKLNKPVYVBF-CYBMUJFWSA-N -1 0 327.384 3.679 20 0 EHADRM CC[C@@H](c1nnc(SC[C@H]2CCN(C(=O)[O-])C2)o1)c1ccccc1 ZINC000739262825 603373664 /nfs/dbraw/zinc/37/36/64/603373664.db2.gz GHKOMKUWGIFRFN-GXTWGEPZSA-N -1 0 347.440 3.704 20 0 EHADRM CCOc1ccc(NC(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1F ZINC000827439203 603376647 /nfs/dbraw/zinc/37/66/47/603376647.db2.gz HUOLFTBHTHZFRX-UHFFFAOYSA-N -1 0 332.331 3.875 20 0 EHADRM Cc1cc(C)cc(NC(=S)NC[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000740067990 603378975 /nfs/dbraw/zinc/37/89/75/603378975.db2.gz ZEYGYMYLWFTRKY-MRXNPFEDSA-N -1 0 343.452 3.599 20 0 EHADRM Cc1ccccc1CNC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000830573599 603379175 /nfs/dbraw/zinc/37/91/75/603379175.db2.gz PLKAXYBQDPPIIV-CYBMUJFWSA-N -1 0 327.384 3.645 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(Cc2c[nH]c3ccc(F)cc23)n1 ZINC000738825578 603394443 /nfs/dbraw/zinc/39/44/43/603394443.db2.gz YKBJTFQMYWVLDR-AWEZNQCLSA-N -1 0 346.362 3.636 20 0 EHADRM Cn1ccc2ccc(NC(=O)c3ccc(F)c(NC(=O)[O-])c3)cc21 ZINC000740293284 603402367 /nfs/dbraw/zinc/40/23/67/603402367.db2.gz FZTOPJMNLOEWRF-UHFFFAOYSA-N -1 0 327.315 3.660 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1)NC(=O)[O-] ZINC000824693245 603404763 /nfs/dbraw/zinc/40/47/63/603404763.db2.gz AOTZREUQMAKNIS-JTQLQIEISA-N -1 0 349.774 3.512 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@@H](c2nc(Cc3cccc(Cl)c3)no2)C1 ZINC000832340085 603419550 /nfs/dbraw/zinc/41/95/50/603419550.db2.gz PYLGTYOMPKKSTJ-YPMHNXCESA-N -1 0 335.791 3.608 20 0 EHADRM CN(C(=O)Cc1ccc(NC(=O)[O-])cc1)c1ccc2ccccc2n1 ZINC000739574537 603422576 /nfs/dbraw/zinc/42/25/76/603422576.db2.gz BBNBQHSBFATSQG-UHFFFAOYSA-N -1 0 335.363 3.530 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000825083355 603427911 /nfs/dbraw/zinc/42/79/11/603427911.db2.gz PSASILJOSGAWPD-JMJZKYOTSA-N -1 0 345.226 3.607 20 0 EHADRM C[C@H](C(=O)N1CCCN(C(=O)[O-])c2ccccc21)c1cccs1 ZINC000738618582 603430692 /nfs/dbraw/zinc/43/06/92/603430692.db2.gz UEBNOHJASLOYAH-LBPRGKRZSA-N -1 0 330.409 3.773 20 0 EHADRM Cc1ccccc1CCC(=O)N1CCCN(C(=O)[O-])c2ccccc21 ZINC000740184898 603431313 /nfs/dbraw/zinc/43/13/13/603431313.db2.gz RZASUQZNHQYDJV-UHFFFAOYSA-N -1 0 338.407 3.849 20 0 EHADRM O=C([O-])N1CCCN(C(=O)c2ccc3ncccc3c2)c2ccccc21 ZINC000740516307 603431577 /nfs/dbraw/zinc/43/15/77/603431577.db2.gz VZBFAQFHZVVEAA-UHFFFAOYSA-N -1 0 347.374 3.770 20 0 EHADRM C[C@H](CC(=O)Oc1cccc(NC(=O)[O-])c1)C(=O)c1cccc(F)c1 ZINC000824743727 603437339 /nfs/dbraw/zinc/43/73/39/603437339.db2.gz PINOBEWDJBNBJR-LLVKDONJSA-N -1 0 345.326 3.730 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)C/C=C\c2cccc(F)c2)c1 ZINC000829469749 603440483 /nfs/dbraw/zinc/44/04/83/603440483.db2.gz VFLHDDWYLWRFCQ-HYXAFXHYSA-N -1 0 344.342 3.966 20 0 EHADRM CCCCN(C(=O)NCC(C)(C)NC(=O)[O-])[C@H](C)c1ccc(C)o1 ZINC000826831130 603452572 /nfs/dbraw/zinc/45/25/72/603452572.db2.gz XREFGUJGYKJERG-CYBMUJFWSA-N -1 0 339.436 3.507 20 0 EHADRM CCc1ccccc1NC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000737275231 603462577 /nfs/dbraw/zinc/46/25/77/603462577.db2.gz XBWCUPWCFVOOPG-UHFFFAOYSA-N -1 0 327.384 3.703 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000829867773 603476944 /nfs/dbraw/zinc/47/69/44/603476944.db2.gz SEICAAASFPVCHU-HIFRSBDPSA-N -1 0 348.443 3.685 20 0 EHADRM CC(C)(C)c1nc(CC(=O)Oc2cccc(NC(=O)[O-])c2)cs1 ZINC000737587473 603478906 /nfs/dbraw/zinc/47/89/06/603478906.db2.gz SOAJVOMYVSDYSO-UHFFFAOYSA-N -1 0 334.397 3.679 20 0 EHADRM COc1cccc([C@H](C)OC(=O)Cc2ccc(NC(=O)[O-])cc2)c1 ZINC000829544443 603521443 /nfs/dbraw/zinc/52/14/43/603521443.db2.gz VVBOJOFVUZLZFK-LBPRGKRZSA-N -1 0 329.352 3.632 20 0 EHADRM CCCCN(C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)[C@H](C)c1ccc(C)o1 ZINC000826825510 603528336 /nfs/dbraw/zinc/52/83/36/603528336.db2.gz FRFSSBVSRVPQPX-KFWWJZLASA-N -1 0 336.432 3.714 20 0 EHADRM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000826639962 603531381 /nfs/dbraw/zinc/53/13/81/603531381.db2.gz RHZOJAXEYUEKIL-TVFCKZIOSA-N -1 0 344.455 3.608 20 0 EHADRM C[C@H](CCOc1ccccc1)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000824811263 603615461 /nfs/dbraw/zinc/61/54/61/603615461.db2.gz XYCUVPCRQAJUGH-CYBMUJFWSA-N -1 0 328.368 3.820 20 0 EHADRM Cc1ccc(NC(=O)COc2cc(C)ccc2NC(=O)[O-])c(C)c1 ZINC000830376847 603637252 /nfs/dbraw/zinc/63/72/52/603637252.db2.gz LQUVJJKRQSMGKP-UHFFFAOYSA-N -1 0 328.368 3.719 20 0 EHADRM Cc1ccc(NC(=O)[O-])c(OCc2nnc(-c3ccccc3)o2)c1 ZINC000830390168 603638501 /nfs/dbraw/zinc/63/85/01/603638501.db2.gz JDLYKSBNSSGGNA-UHFFFAOYSA-N -1 0 325.324 3.714 20 0 EHADRM CC(C)(CNC(=O)c1ccccc1Sc1ccccc1)NC(=O)[O-] ZINC000824001771 603649485 /nfs/dbraw/zinc/64/94/85/603649485.db2.gz MWHFKLSERAHHFP-UHFFFAOYSA-N -1 0 344.436 3.614 20 0 EHADRM O=C([O-])N[C@H]1CC[C@H](C(=O)Nc2ccc(COC3CCCC3)cc2)C1 ZINC000832288559 603658557 /nfs/dbraw/zinc/65/85/57/603658557.db2.gz UNZNALPVNVYQTM-HOCLYGCPSA-N -1 0 346.427 3.521 20 0 EHADRM O=C([O-])N1CCC(C(=O)Nc2ccccc2CCC(F)(F)F)CC1 ZINC000831797667 603728361 /nfs/dbraw/zinc/72/83/61/603728361.db2.gz PAZWTPVDYIDVAH-UHFFFAOYSA-N -1 0 344.333 3.510 20 0 EHADRM Cc1nc(C)c(NC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)s1 ZINC000830727296 603770836 /nfs/dbraw/zinc/77/08/36/603770836.db2.gz ILFRIKGBALVCFX-MRVPVSSYSA-N -1 0 334.401 3.733 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)ccc1F ZINC000832817797 603771922 /nfs/dbraw/zinc/77/19/22/603771922.db2.gz OTCLJVSQDFNGKV-LBPRGKRZSA-N -1 0 348.296 3.767 20 0 EHADRM Cc1c(F)cccc1NC(=O)[C@H](NC(=O)[O-])c1cccc(Cl)c1 ZINC000829871679 603776718 /nfs/dbraw/zinc/77/67/18/603776718.db2.gz HZQZNUZYRWHYAR-CQSZACIVSA-N -1 0 336.750 3.735 20 0 EHADRM Cc1ccc(C(=O)N2CCS[C@@H]3CCCC[C@@H]32)cc1NC(=O)[O-] ZINC000830198366 603778327 /nfs/dbraw/zinc/77/83/27/603778327.db2.gz KWUYMZACICBLDV-LSDHHAIUSA-N -1 0 334.441 3.585 20 0 EHADRM C[C@@H](Oc1ccc(NC(=O)[O-])cc1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000825616473 603780345 /nfs/dbraw/zinc/78/03/45/603780345.db2.gz DOJWBOGZABFJPY-NWDGAFQWSA-N -1 0 346.358 3.560 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc(-c2cncc(-c3ccccc3)c2)n1 ZINC000824900802 603817733 /nfs/dbraw/zinc/81/77/33/603817733.db2.gz DDPPMCJOIDYFSO-GFCCVEGCSA-N -1 0 338.367 3.512 20 0 EHADRM CCC[C@@H](C)c1cc(NC(=O)c2ccc(C)c(NC(=O)[O-])c2)n[nH]1 ZINC000826734445 603819696 /nfs/dbraw/zinc/81/96/96/603819696.db2.gz IKZYLTRHZGTKDC-SNVBAGLBSA-N -1 0 330.388 3.964 20 0 EHADRM Cc1ccc(NC(=S)N(C)C2CCC(NC(=O)[O-])CC2)cc1C ZINC000830395417 603829640 /nfs/dbraw/zinc/82/96/40/603829640.db2.gz DKNOXHSOUFIHEE-UHFFFAOYSA-N -1 0 335.473 3.511 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CNCc2cccc3c2N(C(=O)[O-])CC3)o1 ZINC000825858953 603851491 /nfs/dbraw/zinc/85/14/91/603851491.db2.gz DGZNOGZLXNJPHI-MLGOLLRUSA-N -1 0 326.396 3.733 20 0 EHADRM CC(C)[C@@H](CCN(C)[C@H](C)c1ncc(C(C)(C)C)o1)NC(=O)[O-] ZINC000824100620 603852881 /nfs/dbraw/zinc/85/28/81/603852881.db2.gz XQHAANHCRLTBBE-CHWSQXEVSA-N -1 0 325.453 3.647 20 0 EHADRM Cc1nc(CCCC(=O)Nc2cccc(CN(C)C(=O)[O-])c2)cs1 ZINC000830741580 603882543 /nfs/dbraw/zinc/88/25/43/603882543.db2.gz KZZWBQPNDOUQGG-UHFFFAOYSA-N -1 0 347.440 3.523 20 0 EHADRM COc1ccc(N(C)C(=O)c2cccc(NC(=O)[O-])c2)cc1Cl ZINC000829423740 603885560 /nfs/dbraw/zinc/88/55/60/603885560.db2.gz KOUXJUCVCAFGOW-UHFFFAOYSA-N -1 0 334.759 3.715 20 0 EHADRM Cc1ccc([C@H](C)CNC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc1 ZINC000830252650 603904521 /nfs/dbraw/zinc/90/45/21/603904521.db2.gz ZLWRTBXWGRUTEX-DUZACMNTSA-N -1 0 344.455 3.526 20 0 EHADRM CC(C)(CC(=O)Nc1cccc(CCC(F)(F)F)c1)NC(=O)[O-] ZINC000823886650 603927896 /nfs/dbraw/zinc/92/78/96/603927896.db2.gz VMOLSVBHZJZTNU-UHFFFAOYSA-N -1 0 332.322 3.556 20 0 EHADRM CC[C@@H](OC(=O)c1ccc(C)c(NC(=O)[O-])c1)C(=O)c1ccccc1 ZINC000826631214 603956210 /nfs/dbraw/zinc/95/62/10/603956210.db2.gz GFYXGFYNYVGYEH-MRXNPFEDSA-N -1 0 341.363 3.903 20 0 EHADRM C[C@@H]1CCN(C(=O)C2CCC(NC(=O)[O-])CC2)[C@H]1c1cccc(F)c1 ZINC000825936719 603961053 /nfs/dbraw/zinc/96/10/53/603961053.db2.gz BRZQUOJYHMKGGR-PSPNYPNSSA-N -1 0 348.418 3.562 20 0 EHADRM CCN(C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1)c1ccc2ccccc2c1 ZINC000826969942 603961735 /nfs/dbraw/zinc/96/17/35/603961735.db2.gz LNBQSEMYGPFOGJ-HOTGVXAUSA-N -1 0 326.396 3.629 20 0 EHADRM CC(C)C1CCN(C(=O)Nc2cccc3c2CCN3C(=O)[O-])CC1 ZINC000824159215 603975576 /nfs/dbraw/zinc/97/55/76/603975576.db2.gz ZLYIDQRRMYKUKF-UHFFFAOYSA-N -1 0 331.416 3.627 20 0 EHADRM CN(Cc1ccccc1F)C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000828386852 603977386 /nfs/dbraw/zinc/97/73/86/603977386.db2.gz CXWAHFPOUJUGSD-UHFFFAOYSA-N -1 0 343.358 3.530 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc2c1CCN2C(=O)[O-])c1cccs1 ZINC000825171776 603979119 /nfs/dbraw/zinc/97/91/19/603979119.db2.gz NNBVAYHLSVSDBZ-SNVBAGLBSA-N -1 0 331.397 3.671 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000824404729 603983721 /nfs/dbraw/zinc/98/37/21/603983721.db2.gz MADWDNNJONBIDL-QWRGUYRKSA-N -1 0 340.807 3.502 20 0 EHADRM Cc1cccc([C@@H]2CCCCCN2C(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)c1 ZINC000830494289 603984846 /nfs/dbraw/zinc/98/48/46/603984846.db2.gz ZRHFUNKIKMDXIK-SQNIBIBYSA-N -1 0 344.455 3.875 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(NC(=O)[O-])cc2)[C@H](c2ccco2)C1 ZINC000825944259 604024504 /nfs/dbraw/zinc/02/45/04/604024504.db2.gz MKWPTTUAWFIBTI-WFASDCNBSA-N -1 0 328.368 3.983 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)Nc2cccnc2Cl)cc1 ZINC000825443051 604029060 /nfs/dbraw/zinc/02/90/60/604029060.db2.gz WQIZQSZFPQHMBH-SECBINFHSA-N -1 0 334.763 3.708 20 0 EHADRM CC(C)Sc1ccccc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000824435026 604032860 /nfs/dbraw/zinc/03/28/60/604032860.db2.gz SREVNUACYMSJOD-KGLIPLIRSA-N -1 0 348.468 3.544 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)/C=C/SCc2ccco2)cc1 ZINC000827908693 604045241 /nfs/dbraw/zinc/04/52/41/604045241.db2.gz PDDSKZVYCHJGJC-CSKARUKUSA-N -1 0 333.365 3.746 20 0 EHADRM Cc1cc(C(=O)N2CCCN(C(=O)[O-])c3ccccc32)c(F)cc1F ZINC000829929950 604058266 /nfs/dbraw/zinc/05/82/66/604058266.db2.gz GCQDEXTYJMVBRN-UHFFFAOYSA-N -1 0 346.333 3.808 20 0 EHADRM Cc1nc(CN2CCC[C@@H](NC(=O)[O-])C2)oc1-c1ccc(Cl)cc1 ZINC000830745618 604119497 /nfs/dbraw/zinc/11/94/97/604119497.db2.gz CCBCTWNGRCQKAU-CQSZACIVSA-N -1 0 349.818 3.535 20 0 EHADRM COc1ccc(NCc2noc(-c3ccsc3)n2)cc1NC(=O)[O-] ZINC000829478997 604131164 /nfs/dbraw/zinc/13/11/64/604131164.db2.gz AHURHHCWOIBQHI-UHFFFAOYSA-N -1 0 346.368 3.509 20 0 EHADRM Cc1ccc([C@H]2CCCCCN2C(=O)CC2(NC(=O)[O-])CCC2)o1 ZINC000830282359 604186814 /nfs/dbraw/zinc/18/68/14/604186814.db2.gz QDVPQLRRJHDCFZ-CQSZACIVSA-N -1 0 334.416 3.612 20 0 EHADRM CC(C)c1ccc(CCC(=O)N2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)cc1 ZINC000824463947 604197296 /nfs/dbraw/zinc/19/72/96/604197296.db2.gz NTFSABKWDRXTHD-QAPCUYQASA-N -1 0 346.471 3.637 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)Cc3ccc(F)cc3F)ccc21 ZINC000831557335 604198409 /nfs/dbraw/zinc/19/84/09/604198409.db2.gz DQZDOWJOKFKPRI-UHFFFAOYSA-N -1 0 346.333 3.577 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)CCSc2ccccn2)cc1 ZINC000825415968 604212001 /nfs/dbraw/zinc/21/20/01/604212001.db2.gz ILIRNNXQJVQWEN-LBPRGKRZSA-N -1 0 345.424 3.531 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)Oc2ccc(N3CCCC3)cc2)cc1 ZINC000832841831 604213799 /nfs/dbraw/zinc/21/37/99/604213799.db2.gz OPEMANDNXLWZSH-UHFFFAOYSA-N -1 0 340.379 3.525 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)Oc2ccc(Cl)cc2Cl)o1 ZINC000832714486 604218614 /nfs/dbraw/zinc/21/86/14/604218614.db2.gz DQTCFNPQMQFJLA-UHFFFAOYSA-N -1 0 330.123 3.573 20 0 EHADRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)c2cccc(Cl)c2Cl)C1 ZINC000825243196 604259365 /nfs/dbraw/zinc/25/93/65/604259365.db2.gz CXUGLURVFHQMJY-VHSXEESVSA-N -1 0 345.226 3.502 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCC1(c2ccccc2)CCCC1 ZINC000832846155 604270863 /nfs/dbraw/zinc/27/08/63/604270863.db2.gz BFVIFTASRSETAO-UHFFFAOYSA-N -1 0 340.423 3.572 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)c1c(C)[nH]c(C(=O)[O-])c1C ZINC000737851916 604272389 /nfs/dbraw/zinc/27/23/89/604272389.db2.gz SRRWXAPIOQQEGV-UHFFFAOYSA-N -1 0 340.832 3.707 20 0 EHADRM COc1ccc([C@@H](NC(=O)c2ccc(C(=O)[O-])c(F)c2)C(C)C)cc1 ZINC000832246550 604272952 /nfs/dbraw/zinc/27/29/52/604272952.db2.gz ZCXTYTBNDXUMAF-KRWDZBQOSA-N -1 0 345.370 3.660 20 0 EHADRM Cc1ccc(C[C@H](C)N(C)C(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000832929328 604283332 /nfs/dbraw/zinc/28/33/32/604283332.db2.gz RNQHICUMNXFFKT-ZDUSSCGKSA-N -1 0 329.371 3.536 20 0 EHADRM Cc1cccc(NC(=S)NCc2ccc([C@H](C)NC(=O)[O-])cc2)c1 ZINC000830523023 604285280 /nfs/dbraw/zinc/28/52/80/604285280.db2.gz WUOOASOTHJBFCS-ZDUSSCGKSA-N -1 0 343.452 3.810 20 0 EHADRM C[C@@H](CC(=O)N1Cc2ccccc2[C@H](C)C1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825974859 604289328 /nfs/dbraw/zinc/28/93/28/604289328.db2.gz LSKQDJKOHYPMGA-ARFHVFGLSA-N -1 0 344.455 3.549 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@H]1c1ccccc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824583324 604294906 /nfs/dbraw/zinc/29/49/06/604294906.db2.gz SSUUPEYJHNPZOH-NXHRZFHOSA-N -1 0 344.455 3.766 20 0 EHADRM Cc1csc([C@H]2CCCCN2C(=O)c2ccc(C(=O)[O-])c(F)c2)n1 ZINC000832989347 604295317 /nfs/dbraw/zinc/29/53/17/604295317.db2.gz LATSJYRVNVRRLT-CQSZACIVSA-N -1 0 348.399 3.656 20 0 EHADRM COc1ccc(NCc2ccn(C3CCCC3)n2)cc1NC(=O)[O-] ZINC000829480532 604300344 /nfs/dbraw/zinc/30/03/44/604300344.db2.gz YMPCNBVOCCVYRA-UHFFFAOYSA-N -1 0 330.388 3.709 20 0 EHADRM Cc1cccc(NC(=O)NCc2ccc([C@H](C)NC(=O)[O-])cc2)c1 ZINC000830522051 604309114 /nfs/dbraw/zinc/30/91/14/604309114.db2.gz NWVJPJGTYJVNKO-ZDUSSCGKSA-N -1 0 327.384 3.645 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(F)c(C(=O)[O-])c2)n1 ZINC000832967352 604325723 /nfs/dbraw/zinc/32/57/23/604325723.db2.gz FAKXSHNZBWVQIS-MRXNPFEDSA-N -1 0 343.358 3.596 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)Nc2cccc(NC(=O)[O-])c2)n1 ZINC000832968619 604325853 /nfs/dbraw/zinc/32/58/53/604325853.db2.gz PSPYWKMTDCGUSM-INIZCTEOSA-N -1 0 340.383 3.849 20 0 EHADRM CCOCc1cccc(NC(=O)C[C@H](C)[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000827410401 604328127 /nfs/dbraw/zinc/32/81/27/604328127.db2.gz ZBNHIVFPDHKWAQ-HOCLYGCPSA-N -1 0 348.443 3.578 20 0 EHADRM CCCn1ccc2ccc(NC(=O)c3c(C)[nH]c(C(=O)[O-])c3C)cc21 ZINC000829585400 604329938 /nfs/dbraw/zinc/32/99/38/604329938.db2.gz URXCUIVODNZJTQ-UHFFFAOYSA-N -1 0 339.395 3.947 20 0 EHADRM Cc1cccc(C)c1CNC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000832964226 604335655 /nfs/dbraw/zinc/33/56/55/604335655.db2.gz HSQQRJQBWOWXAH-UHFFFAOYSA-N -1 0 326.396 3.642 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(CNc2c(F)c(F)nc(F)c2F)cc1 ZINC000825402638 604347649 /nfs/dbraw/zinc/34/76/49/604347649.db2.gz NYZOLEWAXRBIMP-SSDOTTSWSA-N -1 0 343.280 3.579 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(C(=O)[O-])c(F)c2)n1 ZINC000832968667 604360871 /nfs/dbraw/zinc/36/08/71/604360871.db2.gz QLTXCEFMWLFQFU-MRXNPFEDSA-N -1 0 343.358 3.596 20 0 EHADRM Cc1cc(NC(=O)Cc2ccc(F)cc2Cl)sc1C(=O)[O-] ZINC000832893452 604376501 /nfs/dbraw/zinc/37/65/01/604376501.db2.gz WNMJVDHSZOXMJG-UHFFFAOYSA-N -1 0 327.764 3.728 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)C=C(C1CC1)C1CC1)c1ccccc1 ZINC000826088813 604382350 /nfs/dbraw/zinc/38/23/50/604382350.db2.gz BZWJYBAWGZYGLU-SFHVURJKSA-N -1 0 327.424 3.701 20 0 EHADRM Cc1ccc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1C ZINC000832911388 604383420 /nfs/dbraw/zinc/38/34/20/604383420.db2.gz OXWAKKVLIAGBLI-QGZVFWFLSA-N -1 0 325.408 3.885 20 0 EHADRM C[C@H](C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])c1ccsc1 ZINC000825995359 604386822 /nfs/dbraw/zinc/38/68/22/604386822.db2.gz OHEQKVIAQJFRIF-SWLSCSKDSA-N -1 0 331.437 3.820 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)CCc1ccc(F)cc1)c1ccccc1 ZINC000826088968 604386943 /nfs/dbraw/zinc/38/69/43/604386943.db2.gz FQZGLDDAFNJEFX-GOSISDBHSA-N -1 0 343.398 3.727 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1ccc2[nH]ccc2c1)c1ccccc1 ZINC000826102618 604390825 /nfs/dbraw/zinc/39/08/25/604390825.db2.gz DAWDPYJJCDXBKS-KRWDZBQOSA-N -1 0 336.391 3.750 20 0 EHADRM CC(C)Oc1cncc(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])c1 ZINC000827065771 604391582 /nfs/dbraw/zinc/39/15/82/604391582.db2.gz BRBRJZWVWXEBQQ-UHFFFAOYSA-N -1 0 346.408 3.758 20 0 EHADRM O=C([O-])c1c(C2CC2)csc1NC(=O)c1ccnn1C1CCCC1 ZINC000833294413 604392259 /nfs/dbraw/zinc/39/22/59/604392259.db2.gz CAJDFZQSBLKJMV-UHFFFAOYSA-N -1 0 345.424 3.888 20 0 EHADRM Cc1cc(OC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)ccc1Br ZINC000832900115 604416222 /nfs/dbraw/zinc/41/62/22/604416222.db2.gz YPKSCHJOQCDHCX-WDEREUQCSA-N -1 0 341.201 3.554 20 0 EHADRM CCc1oc(C(=O)Nc2ccccc2CN(CC)C(=O)[O-])cc1C ZINC000827679914 604428426 /nfs/dbraw/zinc/42/84/26/604428426.db2.gz GQSXXLQADHCUAT-UHFFFAOYSA-N -1 0 330.384 3.903 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2ccc(F)nc2)cc(C(F)(F)F)c1 ZINC000833283439 604428575 /nfs/dbraw/zinc/42/85/75/604428575.db2.gz JDTNVGIDFBHTOP-UHFFFAOYSA-N -1 0 343.236 3.582 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@@H](C)Oc1ccccc1 ZINC000829021101 604428904 /nfs/dbraw/zinc/42/89/04/604428904.db2.gz ODSKDKREWVNFSX-QAPCUYQASA-N -1 0 341.407 3.518 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)N2C3CCCC2CCC3)cc1 ZINC000825383373 604437832 /nfs/dbraw/zinc/43/78/32/604437832.db2.gz QAKKGXQRVNRBNO-NVPAJSRCSA-N -1 0 345.443 3.632 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])o1 ZINC000832921597 604457260 /nfs/dbraw/zinc/45/72/60/604457260.db2.gz SVFZKBBQTRNXCW-CJNGLKHVSA-N -1 0 344.411 3.800 20 0 EHADRM CN(Cc1nc2cc(C(F)(F)F)ccc2o1)C1(C(=O)[O-])CCCC1 ZINC000830874750 604459607 /nfs/dbraw/zinc/45/96/07/604459607.db2.gz LLHWWTNRDKRBOO-UHFFFAOYSA-N -1 0 342.317 3.676 20 0 EHADRM CC(C)(C)SCCCC(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000833447795 604469254 /nfs/dbraw/zinc/46/92/54/604469254.db2.gz XBTBSEUGBQEYBM-UHFFFAOYSA-N -1 0 328.405 3.879 20 0 EHADRM COc1ccccc1[C@@H]1CCCN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000832602893 604486007 /nfs/dbraw/zinc/48/60/07/604486007.db2.gz WTASYPYPYDIGRH-ZDUSSCGKSA-N -1 0 346.408 3.824 20 0 EHADRM CC(C)Oc1ccccc1CNC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000827063114 604487458 /nfs/dbraw/zinc/48/74/58/604487458.db2.gz NUIYNAVMCMFQBF-UHFFFAOYSA-N -1 0 334.397 3.555 20 0 EHADRM O=C([O-])c1csc(NC(=O)N[C@@H](Cc2ccccc2)C2CC2)c1 ZINC000833151355 604491630 /nfs/dbraw/zinc/49/16/30/604491630.db2.gz QCNINDWZTPFVES-AWEZNQCLSA-N -1 0 330.409 3.589 20 0 EHADRM O=C([O-])c1csc(NC(=O)NCc2cccc3ccccc32)c1 ZINC000833146543 604498174 /nfs/dbraw/zinc/49/81/74/604498174.db2.gz NXIYNYFQSCMTTJ-UHFFFAOYSA-N -1 0 326.377 3.921 20 0 EHADRM CC(C)CN(C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])C1CC1 ZINC000826864890 604524345 /nfs/dbraw/zinc/52/43/45/604524345.db2.gz ATAXIWIYZWSXIB-MRXNPFEDSA-N -1 0 332.444 3.669 20 0 EHADRM C[C@@H]1CC[C@H](C)N(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000828215091 604524481 /nfs/dbraw/zinc/52/44/81/604524481.db2.gz ZISFRFBCXXNAPQ-YCPHGPKFSA-N -1 0 332.444 3.669 20 0 EHADRM CC[C@H]1CCCCN1C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000829119072 604527417 /nfs/dbraw/zinc/52/74/17/604527417.db2.gz MHVMJJDAFZTHOS-JKSUJKDBSA-N -1 0 332.444 3.813 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)N1C[C@@H]2CCCC[C@H]2C1)c1ccccc1 ZINC000826088849 604528360 /nfs/dbraw/zinc/52/83/60/604528360.db2.gz CZIWEOOXSIZITQ-YESZJQIVSA-N -1 0 344.455 3.670 20 0 EHADRM C[C@H](N(C)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])C1(C)CC1 ZINC000827603508 604534092 /nfs/dbraw/zinc/53/40/92/604534092.db2.gz SFXYDIMLNZCYTF-ZFWWWQNUSA-N -1 0 332.444 3.669 20 0 EHADRM C[C@@H]1CCCCCN1C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000828251360 604536116 /nfs/dbraw/zinc/53/61/16/604536116.db2.gz HUFVIAYBZQASDQ-ZBFHGGJFSA-N -1 0 332.444 3.813 20 0 EHADRM C[C@H](c1ccco1)N(C)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000827957696 604536438 /nfs/dbraw/zinc/53/64/38/604536438.db2.gz NXBUFMDHVDRFTH-CJNGLKHVSA-N -1 0 344.411 3.834 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)COc2ccc(C)cc2C)oc1C(=O)[O-] ZINC000832950582 604542784 /nfs/dbraw/zinc/54/27/84/604542784.db2.gz DHKCBXOMSKHTMN-CYBMUJFWSA-N -1 0 332.352 3.586 20 0 EHADRM CC(C)[C@@H](CC(=O)NCCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000538575160 604547446 /nfs/dbraw/zinc/54/74/46/604547446.db2.gz OQJNRJPRLXCLDM-LJQANCHMSA-N -1 0 339.435 3.873 20 0 EHADRM C/C(=C/c1ccccc1Cl)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000833385977 604553833 /nfs/dbraw/zinc/55/38/33/604553833.db2.gz LBLRLDSGUIHKGU-WQLSENKSSA-N -1 0 341.794 3.984 20 0 EHADRM Cc1cc([C@H](C)OC(=O)[C@@H](C)Oc2cccc(C)c2)oc1C(=O)[O-] ZINC000832973305 604555355 /nfs/dbraw/zinc/55/53/55/604555355.db2.gz VBORUSVHAFXMSO-QWHCGFSZSA-N -1 0 332.352 3.666 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2cn(C)c3ccccc23)oc1C(=O)[O-] ZINC000832876893 604557489 /nfs/dbraw/zinc/55/74/89/604557489.db2.gz VRVIYCIHWVYYCZ-LLVKDONJSA-N -1 0 327.336 3.696 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2c[nH]c3cc(F)ccc32)oc1C(=O)[O-] ZINC000832873017 604572962 /nfs/dbraw/zinc/57/29/62/604572962.db2.gz YWBWRVXJWMALAB-SECBINFHSA-N -1 0 331.299 3.825 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccccc1C(F)(F)F ZINC000262821057 604574162 /nfs/dbraw/zinc/57/41/62/604574162.db2.gz ANNIGEDYBGIPQS-VXGBXAGGSA-N -1 0 343.345 3.665 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)Cc2c[nH]c3cc(F)ccc23)oc1C(=O)[O-] ZINC000832872662 604577330 /nfs/dbraw/zinc/57/73/30/604577330.db2.gz SSFANWAUSAQAQZ-SNVBAGLBSA-N -1 0 345.326 3.754 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2csc(C(C)(C)C)n2)oc1C(=O)[O-] ZINC000832872844 604579861 /nfs/dbraw/zinc/57/98/61/604579861.db2.gz BLSIMGNRVQTFLD-SECBINFHSA-N -1 0 337.397 3.958 20 0 EHADRM CC(C)CN(Cc1ccc(O[C@@H](C)C(=O)[O-])cc1)CC(F)(F)F ZINC000833486970 604583506 /nfs/dbraw/zinc/58/35/06/604583506.db2.gz XLYOCEPBDDAKKE-LBPRGKRZSA-N -1 0 333.350 3.559 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)c1occc1CSc1ccccc1 ZINC000262918493 604586018 /nfs/dbraw/zinc/58/60/18/604586018.db2.gz KGFUJMACCNJHTD-AWEZNQCLSA-N -1 0 345.420 3.651 20 0 EHADRM C[C@H]1CC[C@H](C)N(C(=O)Nc2cccc(CSCC(=O)[O-])c2)C1 ZINC000833601954 604587808 /nfs/dbraw/zinc/58/78/08/604587808.db2.gz FTTPKWGUYMMNDB-STQMWFEESA-N -1 0 336.457 3.657 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)Cc1coc2ccc3ccccc3c12 ZINC000562620709 604591522 /nfs/dbraw/zinc/59/15/22/604591522.db2.gz NLVZANXSTKQYFJ-HNNXBMFYSA-N -1 0 337.375 3.594 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2c(F)cc(F)cc2F)oc1C(=O)[O-] ZINC000832872833 604592341 /nfs/dbraw/zinc/59/23/41/604592341.db2.gz WVPGAHMDNOISQF-SSDOTTSWSA-N -1 0 328.242 3.622 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2ccc(F)c(F)c2F)oc1C(=O)[O-] ZINC000832877397 604598651 /nfs/dbraw/zinc/59/86/51/604598651.db2.gz YDQQHQFXAZOSEY-SSDOTTSWSA-N -1 0 328.242 3.622 20 0 EHADRM C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4cncc(C(=O)[O-])c4)cc3c2C1 ZINC000833617980 604598913 /nfs/dbraw/zinc/59/89/13/604598913.db2.gz XQPGRDKZRTXBEE-LLVKDONJSA-N -1 0 349.390 3.638 20 0 EHADRM O=C([O-])c1ccc(COC(=O)/C=C\SCc2ccco2)cc1F ZINC000833092815 604601135 /nfs/dbraw/zinc/60/11/35/604601135.db2.gz OGWAXFCYSULZRR-ALCCZGGFSA-N -1 0 336.340 3.607 20 0 EHADRM CC(C)[C@@H](C(=O)Oc1ccc(CC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000833466139 604604632 /nfs/dbraw/zinc/60/46/32/604604632.db2.gz TWXQFJZPNZLYJT-GOSISDBHSA-N -1 0 330.355 3.798 20 0 EHADRM COc1ccc(C(C)(C)C(=O)OCc2ccc(F)cc2C(=O)[O-])cc1 ZINC000832216678 604614783 /nfs/dbraw/zinc/61/47/83/604614783.db2.gz IAUFUQPPMWMVCB-UHFFFAOYSA-N -1 0 346.354 3.554 20 0 EHADRM O=C([O-])c1sccc1NC(=O)c1cccc(OCC(F)(F)F)c1 ZINC000833161335 604633659 /nfs/dbraw/zinc/63/36/59/604633659.db2.gz IJOLRTWUMRNLPH-UHFFFAOYSA-N -1 0 345.298 3.640 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000833213314 604637028 /nfs/dbraw/zinc/63/70/28/604637028.db2.gz GMXFULMQNUABKF-CYBMUJFWSA-N -1 0 344.333 3.653 20 0 EHADRM O=C([O-])N1CCC(Nc2cccc(COc3cccc(F)c3)c2)CC1 ZINC000833278859 604655219 /nfs/dbraw/zinc/65/52/19/604655219.db2.gz NQGOCEYPFRIIEI-UHFFFAOYSA-N -1 0 344.386 3.959 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(NC(=O)[O-])cc1)c1c(C)noc1C ZINC000833642665 604657814 /nfs/dbraw/zinc/65/78/14/604657814.db2.gz FQXJXHDRZPOUFA-ZDUSSCGKSA-N -1 0 332.360 3.654 20 0 EHADRM CCC(CC)[C@H](NC(=O)N1CCC[C@H]1CC(=O)[O-])c1cccs1 ZINC000828854442 604675636 /nfs/dbraw/zinc/67/56/36/604675636.db2.gz FAHRYMGUMLAJPI-BBRMVZONSA-N -1 0 338.473 3.874 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000833211066 604677401 /nfs/dbraw/zinc/67/74/01/604677401.db2.gz ROQOPZRNUGDBKU-FUHWJXTLSA-N -1 0 330.428 3.567 20 0 EHADRM Cc1cc([C@H](C)Sc2nnc(-c3ccccc3)n2C)oc1C(=O)[O-] ZINC000832873213 604691889 /nfs/dbraw/zinc/69/18/89/604691889.db2.gz HLIXCRMSLHUBOO-NSHDSACASA-N -1 0 343.408 3.935 20 0 EHADRM Cc1cc([C@H](C)Sc2n[nH]c(-c3ccccc3)n2)oc1C(=O)[O-] ZINC000832872808 604704642 /nfs/dbraw/zinc/70/46/42/604704642.db2.gz AQSKCHUVNDOIFN-JTQLQIEISA-N -1 0 329.381 3.925 20 0 EHADRM CC(C)Oc1ccccc1[C@H](C)NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000539677470 604709609 /nfs/dbraw/zinc/70/96/09/604709609.db2.gz AUACAJQOSKKESK-AWEZNQCLSA-N -1 0 341.407 3.592 20 0 EHADRM CCOc1ccc(NC(=O)Cc2cccc(C(=O)[O-])c2)cc1Cl ZINC000537473718 604712960 /nfs/dbraw/zinc/71/29/60/604712960.db2.gz ZPJAXLUZFKREJZ-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM CC(C)c1ccc(CCC(=O)Nc2nc(CCC(=O)[O-])cs2)cc1 ZINC000827118383 604725566 /nfs/dbraw/zinc/72/55/66/604725566.db2.gz VGBPQDIQCWPULD-UHFFFAOYSA-N -1 0 346.452 3.855 20 0 EHADRM O=C([O-])CCc1csc(NC(=O)C[C@@H]2CCCc3ccccc32)n1 ZINC000833238231 604731273 /nfs/dbraw/zinc/73/12/73/604731273.db2.gz WQYQZLGKNSPJFH-ZDUSSCGKSA-N -1 0 344.436 3.609 20 0 EHADRM CCCCc1ccc(CC(=O)Nc2nc(CCC(=O)[O-])cs2)cc1 ZINC000829431063 604736267 /nfs/dbraw/zinc/73/62/67/604736267.db2.gz TVJLTSADVCKXAF-UHFFFAOYSA-N -1 0 346.452 3.684 20 0 EHADRM C[C@H](CCNC(=O)CCc1ccccc1C(=O)[O-])c1ccccc1 ZINC000679093673 604736213 /nfs/dbraw/zinc/73/62/13/604736213.db2.gz DKIZDBIWTPUSKB-OAHLLOKOSA-N -1 0 325.408 3.627 20 0 EHADRM CC(C)(CCc1ccccc1)NC(=O)CCc1ccccc1C(=O)[O-] ZINC000263528571 604737011 /nfs/dbraw/zinc/73/70/11/604737011.db2.gz LHMVGALGZPQSMG-UHFFFAOYSA-N -1 0 339.435 3.845 20 0 EHADRM CC(C)(CNC(=O)CCc1ccccc1C(=O)[O-])c1ccc(F)cc1 ZINC000262089898 604738669 /nfs/dbraw/zinc/73/86/69/604738669.db2.gz GHZRJKDZYDNYNP-UHFFFAOYSA-N -1 0 343.398 3.551 20 0 EHADRM CC[C@](C)(NC(=O)CCc1ccccc1C(=O)[O-])c1ccccc1 ZINC000777360851 604740421 /nfs/dbraw/zinc/74/04/21/604740421.db2.gz ROZBSJCMFLLIFG-FQEVSTJZSA-N -1 0 325.408 3.759 20 0 EHADRM O=C([O-])c1ccc(-c2nc(Cc3ccc(Cl)cc3)no2)cc1F ZINC000833309115 604763415 /nfs/dbraw/zinc/76/34/15/604763415.db2.gz ZQVMRFNYQVLFHS-UHFFFAOYSA-N -1 0 332.718 3.818 20 0 EHADRM CC(C)(C)OC(=O)C1(NCc2ccsc2C(=O)[O-])CCCCC1 ZINC000833430662 604767483 /nfs/dbraw/zinc/76/74/83/604767483.db2.gz GQYHCSPXSPNLAZ-UHFFFAOYSA-N -1 0 339.457 3.581 20 0 EHADRM COc1ccccc1[C@@H](N[C@H](C(=O)[O-])c1ccccc1)c1ccco1 ZINC000832594966 604770669 /nfs/dbraw/zinc/77/06/69/604770669.db2.gz JBHYQBLHVYTMEL-RBUKOAKNSA-N -1 0 337.375 3.793 20 0 EHADRM O=C([O-])c1occc1CNc1ccc(-c2cn3ccccc3n2)cc1 ZINC000833785091 604775606 /nfs/dbraw/zinc/77/56/06/604775606.db2.gz CUCAJBJLUQINER-UHFFFAOYSA-N -1 0 333.347 3.905 20 0 EHADRM CC(C)(C)NC(=O)c1cccc(NCc2ccc(C(=O)[O-])cc2)c1 ZINC000263484610 604776758 /nfs/dbraw/zinc/77/67/58/604776758.db2.gz PAJLMXGCBBSQLZ-UHFFFAOYSA-N -1 0 326.396 3.525 20 0 EHADRM O=C([O-])c1cccc(NC2CCN(C(=O)CC3CCCCC3)CC2)c1 ZINC000833329529 604779302 /nfs/dbraw/zinc/77/93/02/604779302.db2.gz DVFCCGOLIUVWPS-UHFFFAOYSA-N -1 0 344.455 3.758 20 0 EHADRM C[C@H](Oc1ccc(CNc2cccc(-c3ncco3)c2)cc1)C(=O)[O-] ZINC000833538119 604779750 /nfs/dbraw/zinc/77/97/50/604779750.db2.gz BPEVSPVQNNVKFT-ZDUSSCGKSA-N -1 0 338.363 3.806 20 0 EHADRM C/C(=C/c1cccc(Cl)c1)C(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC000761864309 604780423 /nfs/dbraw/zinc/78/04/23/604780423.db2.gz HLQLHDLJNMKVCB-SLWQEBJJSA-N -1 0 347.773 3.825 20 0 EHADRM CC(C)[C@@H](C(=O)Nc1cccc(C(=O)[O-])c1O)c1ccc(F)cc1 ZINC000833466040 604796288 /nfs/dbraw/zinc/79/62/88/604796288.db2.gz QEZZHDKYVQQWEJ-OAHLLOKOSA-N -1 0 331.343 3.608 20 0 EHADRM O=C([O-])c1cc(NCc2noc(C3CCCCC3)n2)c(F)cc1F ZINC000833300978 604798036 /nfs/dbraw/zinc/79/80/36/604798036.db2.gz UYEDYFAUKWJESP-UHFFFAOYSA-N -1 0 337.326 3.706 20 0 EHADRM C/C(=C\C(=O)N1CCc2ccc(C(=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000777376508 604811650 /nfs/dbraw/zinc/81/16/50/604811650.db2.gz AVFGXAYOAANOEK-JLHYYAGUSA-N -1 0 339.366 3.512 20 0 EHADRM CCCCOc1cccc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000829422124 604814620 /nfs/dbraw/zinc/81/46/20/604814620.db2.gz PKMJPWOGPRRNTR-UHFFFAOYSA-N -1 0 331.343 3.955 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2CCc3cc(Cl)ccc32)cc1F ZINC000833130719 604815882 /nfs/dbraw/zinc/81/58/82/604815882.db2.gz DYZWQCPVZOFRFM-HNNXBMFYSA-N -1 0 333.746 3.595 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C)CSCc2ccccc2)c(C(=O)[O-])[nH]1 ZINC000832892760 604824950 /nfs/dbraw/zinc/82/49/50/604824950.db2.gz DJRYAGGMBBEXGW-NSHDSACASA-N -1 0 332.425 3.529 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H](CC2CC2)c2ccccc2)cc1F ZINC000833125469 604827147 /nfs/dbraw/zinc/82/71/47/604827147.db2.gz DBJSPJIYCLVNID-KRWDZBQOSA-N -1 0 327.355 3.795 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)CCCc2ccccc2)cc1Cl ZINC000237956804 604845550 /nfs/dbraw/zinc/84/55/50/604845550.db2.gz PZVCWGNQFKLBBX-UHFFFAOYSA-N -1 0 347.798 3.765 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)c(C)c1 ZINC000237622915 604846358 /nfs/dbraw/zinc/84/63/58/604846358.db2.gz YZAWASOBTYLDOY-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1C ZINC000832910715 604850798 /nfs/dbraw/zinc/85/07/98/604850798.db2.gz BYUDVFSPQPXBIX-LBPRGKRZSA-N -1 0 344.338 3.569 20 0 EHADRM O=C([O-])c1ccc(C(=O)OCc2coc(-c3ccccc3)n2)cc1F ZINC000833353782 604853847 /nfs/dbraw/zinc/85/38/47/604853847.db2.gz RHDMPEVEYDDPGG-UHFFFAOYSA-N -1 0 341.294 3.536 20 0 EHADRM O=C([O-])c1ccc(C(=O)OCc2ccc(C(F)(F)F)cc2)cc1F ZINC000833352999 604853851 /nfs/dbraw/zinc/85/38/51/604853851.db2.gz LFRUNMDUOITHQV-UHFFFAOYSA-N -1 0 342.244 3.900 20 0 EHADRM C[C@@H](CC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21)c1ccc(F)cc1 ZINC000669435749 604858208 /nfs/dbraw/zinc/85/82/08/604858208.db2.gz QHPLKBDZKAGEQB-GUYCJALGSA-N -1 0 341.382 3.924 20 0 EHADRM O=C([O-])C[C@H](NC(=O)/C=C/c1ccccc1Cl)c1ccccc1 ZINC000013224143 604865714 /nfs/dbraw/zinc/86/57/14/604865714.db2.gz XDXPLSPFYZNGKM-OFAQMXQXSA-N -1 0 329.783 3.685 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2sccc2-n2cccc2)C1 ZINC000325425707 604878466 /nfs/dbraw/zinc/87/84/66/604878466.db2.gz JLZAXMUJSNEKHK-ZDUSSCGKSA-N -1 0 346.452 3.502 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)Cc2csc3ccccc23)C1 ZINC000679106342 604879508 /nfs/dbraw/zinc/87/95/08/604879508.db2.gz PZJVOECZRDZQIA-AWEZNQCLSA-N -1 0 345.464 3.793 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCc1ccccc1Cl)c1ccccc1 ZINC000013224632 604880147 /nfs/dbraw/zinc/88/01/47/604880147.db2.gz XCNLSAPAJWUXLW-INIZCTEOSA-N -1 0 331.799 3.605 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000013224953 604881886 /nfs/dbraw/zinc/88/18/86/604881886.db2.gz LLPXCABUZSJKBC-AWEZNQCLSA-N -1 0 338.190 3.939 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc2ccccc2s1)c1ccccc1 ZINC000013427837 604882040 /nfs/dbraw/zinc/88/20/40/604882040.db2.gz HADXKJAPSUDNFY-AWEZNQCLSA-N -1 0 325.389 3.847 20 0 EHADRM Cc1sc2ncnc(SC[C@@H]3CC(C(=O)[O-])=C(C)O3)c2c1C ZINC000833581097 604886434 /nfs/dbraw/zinc/88/64/34/604886434.db2.gz LDGNYZDBADJCPG-JTQLQIEISA-N -1 0 336.438 3.548 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@H]1CCCc2sccc21)c1ccccc1F ZINC000833351202 604888397 /nfs/dbraw/zinc/88/83/97/604888397.db2.gz OBWYALPDTXAEFZ-XHDPSFHLSA-N -1 0 334.368 3.676 20 0 EHADRM C[C@@]1(NC(=O)c2cc(F)c(Cl)cc2Cl)CCCC[C@H]1C(=O)[O-] ZINC000262833921 604893108 /nfs/dbraw/zinc/89/31/08/604893108.db2.gz RFWPVAFSIKBXFY-BJOHPYRUSA-N -1 0 348.201 3.896 20 0 EHADRM CC(C)(C)c1ccccc1C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000391982031 604894390 /nfs/dbraw/zinc/89/43/90/604894390.db2.gz BENKKWYUUIHAQD-AWEZNQCLSA-N -1 0 331.456 3.947 20 0 EHADRM CC(C)COc1ccccc1C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833490666 604895795 /nfs/dbraw/zinc/89/57/95/604895795.db2.gz NITWQYQRNSIZDF-HNNXBMFYSA-N -1 0 347.455 3.684 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)C[C@@H]2CCCc3ccccc32)C1 ZINC000679105045 604896734 /nfs/dbraw/zinc/89/67/34/604896734.db2.gz JDQXEXVOWMOOGE-IRXDYDNUSA-N -1 0 343.467 3.846 20 0 EHADRM O=C([O-])c1csc(NC(=O)N2Cc3ccccc3C(F)(F)C2)c1 ZINC000833341942 604899197 /nfs/dbraw/zinc/89/91/97/604899197.db2.gz AUEBLEIJLPPJGT-UHFFFAOYSA-N -1 0 338.335 3.586 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(O)c3ccccc23)cc1F ZINC000833156758 604923741 /nfs/dbraw/zinc/92/37/41/604923741.db2.gz OUVCHBDIQKLHPD-UHFFFAOYSA-N -1 0 325.295 3.635 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1F ZINC000237946415 604930692 /nfs/dbraw/zinc/93/06/92/604930692.db2.gz QFANZOUELVCFRX-UHFFFAOYSA-N -1 0 349.789 3.986 20 0 EHADRM C[C@H]1C[C@H](C(=O)OCc2c3ccccc3sc2C(=O)[O-])CCC1=O ZINC000833588715 604951864 /nfs/dbraw/zinc/95/18/64/604951864.db2.gz JISSRIYONAAPDW-WDEREUQCSA-N -1 0 346.404 3.648 20 0 EHADRM O=C([O-])c1ccc(OC(=O)c2cccc([C@H]3CCOC3)c2)c(Cl)c1 ZINC000833781481 604956012 /nfs/dbraw/zinc/95/60/12/604956012.db2.gz CLRNLNDMKQUAPG-AWEZNQCLSA-N -1 0 346.766 3.761 20 0 EHADRM CCC[C@@H](C)[C@H]1CCCN1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000829208638 604956655 /nfs/dbraw/zinc/95/66/55/604956655.db2.gz NOLGIKYCICSMTC-CZUORRHYSA-N -1 0 333.432 3.887 20 0 EHADRM CCN(Cc1ccc(C)cc1)C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000829718114 604966875 /nfs/dbraw/zinc/96/68/75/604966875.db2.gz CZHFNPADBLPDPS-UHFFFAOYSA-N -1 0 347.440 3.523 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=S)Nc1ccc(SC(F)F)cc1 ZINC000833210547 604973778 /nfs/dbraw/zinc/97/37/78/604973778.db2.gz JGUMASLNLZEIPL-JTQLQIEISA-N -1 0 346.424 3.637 20 0 EHADRM CCc1nc(NC(=O)/C(C)=C/c2ccc(F)cc2)sc1C(=O)[O-] ZINC000833673535 604993313 /nfs/dbraw/zinc/99/33/13/604993313.db2.gz JBQOJLQFASBVBA-CMDGGOBGSA-N -1 0 334.372 3.585 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2c[nH]c3cc(Cl)ccc32)C1 ZINC000833418242 604994718 /nfs/dbraw/zinc/99/47/18/604994718.db2.gz KOECUIPVSYOLMH-NSHDSACASA-N -1 0 348.830 3.784 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)C1 ZINC000679102949 604996143 /nfs/dbraw/zinc/99/61/43/604996143.db2.gz LKYIERMVYDXIAH-GFCCVEGCSA-N -1 0 348.830 3.784 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)Nc1scnc1C1CC1)C(=O)[O-] ZINC000833544620 605009167 /nfs/dbraw/zinc/00/91/67/605009167.db2.gz HJZCSWXOSDOHEN-VIFPVBQESA-N -1 0 348.449 3.838 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)c2cnc3n2CCCC3)s1 ZINC000833450561 605009480 /nfs/dbraw/zinc/00/94/80/605009480.db2.gz VHTRJDONUIAIEK-UHFFFAOYSA-N -1 0 347.440 3.529 20 0 EHADRM CC(C)(C)OCc1ccccc1C(=O)OCc1ccc(C(=O)[O-])o1 ZINC000833446237 605019784 /nfs/dbraw/zinc/01/97/84/605019784.db2.gz ZDTHBDWLZWDLIG-UHFFFAOYSA-N -1 0 332.352 3.650 20 0 EHADRM C[C@H]1CCc2ccccc2[C@H]1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000659399702 605022202 /nfs/dbraw/zinc/02/22/02/605022202.db2.gz FPQNWKJUCLSDTQ-LIRRHRJNSA-N -1 0 344.455 3.596 20 0 EHADRM C[C@H](C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-])c1c(F)cccc1F ZINC000262909620 605026072 /nfs/dbraw/zinc/02/60/72/605026072.db2.gz JMDAEMYYQXYLHY-STQMWFEESA-N -1 0 347.361 3.570 20 0 EHADRM C[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000190473147 605052575 /nfs/dbraw/zinc/05/25/75/605052575.db2.gz NMTSVLPGKCKKFN-YVEFUNNKSA-N -1 0 347.361 3.791 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(F)cc2)ccc1Br ZINC000132331570 605063850 /nfs/dbraw/zinc/06/38/50/605063850.db2.gz KNHOHQHYMKETML-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM O=C([O-])c1cccc(COC(=O)c2ccc(Br)s2)c1 ZINC000833783581 605063967 /nfs/dbraw/zinc/06/39/67/605063967.db2.gz TXZZPRIPAZDJEL-UHFFFAOYSA-N -1 0 341.182 3.566 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N(Cc1ccccn1)c1ccc(F)cc1 ZINC000833451288 605066951 /nfs/dbraw/zinc/06/69/51/605066951.db2.gz OBIQUXGZGHVVOS-UHFFFAOYSA-N -1 0 344.386 3.645 20 0 EHADRM CC(C)[C@@H]1C[C@H](CC(=O)N[C@H](CCC(=O)[O-])c2ccccc2)CCO1 ZINC000833469560 605074780 /nfs/dbraw/zinc/07/47/80/605074780.db2.gz BJJQPIPAGANDSO-NXHRZFHOSA-N -1 0 347.455 3.550 20 0 EHADRM Cc1c(NC(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])cccc1N(C)C ZINC000833742558 605081610 /nfs/dbraw/zinc/08/16/10/605081610.db2.gz UTTXEBNBEMNWDF-ZBFHGGJFSA-N -1 0 347.459 3.606 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cccc(N2CCCCC2)c1)C(=O)[O-] ZINC000818624586 605094873 /nfs/dbraw/zinc/09/48/73/605094873.db2.gz UDTUWPMGPLBPCH-UHFFFAOYSA-N -1 0 347.459 3.689 20 0 EHADRM CC(C)C[C@@H](C)NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000833475071 605100915 /nfs/dbraw/zinc/10/09/15/605100915.db2.gz INRWPBMFYYWVMF-SECBINFHSA-N -1 0 332.322 3.960 20 0 EHADRM CC(C)(C)c1ccc(C(C)(C)NC(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC000833450080 605104800 /nfs/dbraw/zinc/10/48/00/605104800.db2.gz FZSVOGIHAVXYKP-UHFFFAOYSA-N -1 0 340.423 3.742 20 0 EHADRM CC(C)(C)C(=O)c1ccsc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000833456057 605108889 /nfs/dbraw/zinc/10/88/89/605108889.db2.gz CJGBTXPQUOKSEV-UHFFFAOYSA-N -1 0 325.430 3.806 20 0 EHADRM C[C@H](OC(=O)C1CCC(C(=O)[O-])CC1)c1nc2ccccc2s1 ZINC000833525981 605117471 /nfs/dbraw/zinc/11/74/71/605117471.db2.gz DFPZKFURTOLWCO-UNXYVOJBSA-N -1 0 333.409 3.792 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)NC2CCC(C(=O)[O-])CC2)c2ccccc21 ZINC000263239472 605122460 /nfs/dbraw/zinc/12/24/60/605122460.db2.gz NOMRCFUWFUZUNN-WNZJFKNXSA-N -1 0 330.428 3.568 20 0 EHADRM CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2cccc(F)c2C(=O)[O-])C1 ZINC000833668855 605136807 /nfs/dbraw/zinc/13/68/07/605136807.db2.gz TWNCFPIYEHEKJG-MNOVXSKESA-N -1 0 340.420 3.662 20 0 EHADRM CCC(CC)n1nc(C(=O)Nc2cccc(F)c2C(=O)[O-])cc1C ZINC000833641510 605147985 /nfs/dbraw/zinc/14/79/85/605147985.db2.gz CQCIVORZAFYZGG-UHFFFAOYSA-N -1 0 333.363 3.642 20 0 EHADRM C[C@H]1CC[C@H](C(=O)Nc2cc(C(=O)[O-])c(F)cc2Br)C1 ZINC000833602500 605149919 /nfs/dbraw/zinc/14/99/19/605149919.db2.gz QSPRSSKEXCROIX-YUMQZZPRSA-N -1 0 344.180 3.661 20 0 EHADRM CC1(C)C[C@@H]1C(=O)Nc1cc(Br)cc(C(=O)[O-])c1Cl ZINC000833556600 605150686 /nfs/dbraw/zinc/15/06/86/605150686.db2.gz DTHYYBRBCIVHNA-MRVPVSSYSA-N -1 0 346.608 3.785 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N(c2ccccn2)C2CCCC2)cc1 ZINC000832829632 605168858 /nfs/dbraw/zinc/16/88/58/605168858.db2.gz XPPQENCRKHKZGZ-UHFFFAOYSA-N -1 0 325.368 3.761 20 0 EHADRM CCCN(C(=O)Nc1cncc(C(=O)[O-])c1)[C@@H]1CCc2ccccc21 ZINC000833651079 605170054 /nfs/dbraw/zinc/17/00/54/605170054.db2.gz FTIAWSGWRNZECH-QGZVFWFLSA-N -1 0 339.395 3.711 20 0 EHADRM C[C@H]1CCC[C@H](OCCCCCC(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC000833608080 605171786 /nfs/dbraw/zinc/17/17/86/605171786.db2.gz LUQUYUXMOZNGLW-YOEHRIQHSA-N -1 0 348.443 3.874 20 0 EHADRM CC(C)Cn1ncc(NC(=O)c2ccc(C(=O)[O-])s2)c1C(C)C ZINC000833493134 605172427 /nfs/dbraw/zinc/17/24/27/605172427.db2.gz GDHREWARLHVWGU-UHFFFAOYSA-N -1 0 335.429 3.675 20 0 EHADRM CC[C@H](C)Oc1cc(C(=O)Nc2scc(C(=O)[O-])c2C)ccn1 ZINC000833641277 605221186 /nfs/dbraw/zinc/22/11/86/605221186.db2.gz SQYSALNLBXGDMO-VIFPVBQESA-N -1 0 334.397 3.579 20 0 EHADRM C[C@H]1COc2ccccc2CN1C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000833632521 605226580 /nfs/dbraw/zinc/22/65/80/605226580.db2.gz YEWMFVFSSWUREZ-LBPRGKRZSA-N -1 0 341.367 3.592 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000190914774 605231751 /nfs/dbraw/zinc/23/17/51/605231751.db2.gz IIOQXAKQYLVZNQ-HNNXBMFYSA-N -1 0 341.407 3.748 20 0 EHADRM COc1cc(NCc2c[nH]nc2-c2ccc(C)o2)ccc1NC(=O)[O-] ZINC000829197783 605244604 /nfs/dbraw/zinc/24/46/04/605244604.db2.gz JPIRWEBNDTXNEW-UHFFFAOYSA-N -1 0 342.355 3.689 20 0 EHADRM O=C([O-])N1CC[C@H](Nc2ccc(COCc3ccccc3)cc2)C1 ZINC000831963271 605257935 /nfs/dbraw/zinc/25/79/35/605257935.db2.gz CWKDDOKZERFIBZ-SFHVURJKSA-N -1 0 326.396 3.568 20 0 EHADRM CC(C)OC(=O)CS[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000833503239 605262959 /nfs/dbraw/zinc/26/29/59/605262959.db2.gz ZLXHDDSJCHXRRH-LBPRGKRZSA-N -1 0 336.331 3.516 20 0 EHADRM CCc1nc(CN[C@H](C(=O)[O-])c2ccc3ccccc3c2)cs1 ZINC000833673066 605272954 /nfs/dbraw/zinc/27/29/54/605272954.db2.gz HXNPTZPHJKTMRH-KRWDZBQOSA-N -1 0 326.421 3.774 20 0 EHADRM CC(C)(C)c1ncc(C(=O)Nc2ccc(NC(=O)[O-])c(F)c2)s1 ZINC000833450700 605277214 /nfs/dbraw/zinc/27/72/14/605277214.db2.gz IZKDEEYOBMQSHN-UHFFFAOYSA-N -1 0 337.376 3.922 20 0 EHADRM O=C([O-])[C@@H]1CCCN1C(=O)c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000342541238 605288488 /nfs/dbraw/zinc/28/84/88/605288488.db2.gz FZJBZSFZHTUINQ-INIZCTEOSA-N -1 0 345.782 3.822 20 0 EHADRM CC(C)(C)SCC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000191475705 605302811 /nfs/dbraw/zinc/30/28/11/605302811.db2.gz FKTUBSHOQAUBAP-MRXNPFEDSA-N -1 0 331.437 3.613 20 0 EHADRM CC(C)(C)/C=C/C(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000833422263 605309132 /nfs/dbraw/zinc/30/91/32/605309132.db2.gz DQNXGHIDBOYUMF-MMQHEFTJSA-N -1 0 343.345 3.940 20 0 EHADRM C[C@@H]1CCC[C@H]1C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000833607669 605350247 /nfs/dbraw/zinc/35/02/47/605350247.db2.gz FOVRMXMYNPKJKX-HTQZYQBOSA-N -1 0 344.180 3.661 20 0 EHADRM CN(C(=O)c1ccc(-c2ccccc2)o1)[C@H](C(=O)[O-])c1ccccc1 ZINC000833686429 605350412 /nfs/dbraw/zinc/35/04/12/605350412.db2.gz VJIYXWAEPWOOOD-SFHVURJKSA-N -1 0 335.359 3.845 20 0 EHADRM COc1cc(F)cc(CN[C@@H](C(=O)[O-])c2c(F)cccc2Cl)c1 ZINC000833728258 605363197 /nfs/dbraw/zinc/36/31/97/605363197.db2.gz AQCZGNOQARDLBU-OAHLLOKOSA-N -1 0 341.741 3.542 20 0 EHADRM CC(C)Oc1c(F)cc(NC(=O)c2ccc(C(=O)[O-])cc2)cc1F ZINC000833505513 605375636 /nfs/dbraw/zinc/37/56/36/605375636.db2.gz MYGTUXLUTNMYOV-UHFFFAOYSA-N -1 0 335.306 3.703 20 0 EHADRM CC(=O)Nc1ccc(Cl)c(C(=O)Oc2ccc(NC(=O)[O-])cc2)c1 ZINC000823605248 605376399 /nfs/dbraw/zinc/37/63/99/605376399.db2.gz YEPGSYHOYDEWHZ-UHFFFAOYSA-N -1 0 348.742 3.608 20 0 EHADRM CN(Cc1cc(Cl)cn1C)[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833694564 605376875 /nfs/dbraw/zinc/37/68/75/605376875.db2.gz MQYBEIGCUUSTKI-CQSZACIVSA-N -1 0 345.201 3.729 20 0 EHADRM CC(C)(C)OC(=O)CCCCN1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000833433805 605380807 /nfs/dbraw/zinc/38/08/07/605380807.db2.gz MCTKCPRQMDADHZ-AWEZNQCLSA-N -1 0 333.428 3.577 20 0 EHADRM Cc1nnc(SC2CCN(C(=O)[O-])CC2)n1[C@@H]1CCC[C@H](C)C1 ZINC000833928873 605388569 /nfs/dbraw/zinc/38/85/69/605388569.db2.gz VCEWFPRDABQLRZ-WCQYABFASA-N -1 0 338.477 3.572 20 0 EHADRM CCc1cc(NC(=O)NCc2ccc(OC)c(C(=O)[O-])c2)ccc1C ZINC000833670865 605401174 /nfs/dbraw/zinc/40/11/74/605401174.db2.gz DGXITRUQCMRJNZ-UHFFFAOYSA-N -1 0 342.395 3.586 20 0 EHADRM CC(C)(C(=O)Nc1cccc(SCCC(=O)[O-])c1)c1cccnc1 ZINC000833411844 605403928 /nfs/dbraw/zinc/40/39/28/605403928.db2.gz RZPKPMCYFGICGC-UHFFFAOYSA-N -1 0 344.436 3.565 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2ncccc2Cl)c(Cl)c1 ZINC000834255948 605406781 /nfs/dbraw/zinc/40/67/81/605406781.db2.gz LPFIBERFBVELHN-UHFFFAOYSA-N -1 0 326.139 3.731 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000685018978 605419514 /nfs/dbraw/zinc/41/95/14/605419514.db2.gz OCEGVKQRABCSGE-DZGCQCFKSA-N -1 0 331.437 3.567 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000833384865 605449413 /nfs/dbraw/zinc/44/94/13/605449413.db2.gz RADGMMWJNBTBHT-XLNAKTSKSA-N -1 0 345.345 3.619 20 0 EHADRM COc1ccccc1-c1noc(-c2ccc(NC(=O)[O-])c(C)c2)n1 ZINC000829585543 605452676 /nfs/dbraw/zinc/45/26/76/605452676.db2.gz BTTLEPDBLLFVJF-UHFFFAOYSA-N -1 0 325.324 3.811 20 0 EHADRM O=C([O-])N[C@@H](Cc1nc(-c2ccc(F)c(F)c2)no1)c1ccccc1 ZINC000832149224 605474286 /nfs/dbraw/zinc/47/42/86/605474286.db2.gz XTHFVRLZNTTXGU-AWEZNQCLSA-N -1 0 345.305 3.566 20 0 EHADRM CC(C)c1ccc([C@H](C)NC(=O)N2CC[C@H](NC(=O)[O-])C[C@H]2C)cc1 ZINC000824463183 605496235 /nfs/dbraw/zinc/49/62/35/605496235.db2.gz CTTZWQZLDYIABX-KEYYUXOJSA-N -1 0 347.459 3.701 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@H]1C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000832342071 605529550 /nfs/dbraw/zinc/52/95/50/605529550.db2.gz VPJQWMIEBNRSTL-SCZZXKLOSA-N -1 0 332.734 3.652 20 0 EHADRM CCCN(C(=O)N[C@@H](C)c1ccccc1C)C1CCN(C(=O)[O-])CC1 ZINC000826866401 605556150 /nfs/dbraw/zinc/55/61/50/605556150.db2.gz NELANKFIZQVDIJ-HNNXBMFYSA-N -1 0 347.459 3.620 20 0 EHADRM CCN(Cc1cccc(NC(=O)CCC(C)(C)C(C)=O)c1)C(=O)[O-] ZINC000827167239 605583548 /nfs/dbraw/zinc/58/35/48/605583548.db2.gz JCNKFANSVULLNV-UHFFFAOYSA-N -1 0 334.416 3.520 20 0 EHADRM O=C([O-])Nc1ccc2c(c1)CC[C@@H]2NCc1ccn(-c2ccccc2)n1 ZINC000834261908 605596745 /nfs/dbraw/zinc/59/67/45/605596745.db2.gz GIGWXEVIMKOHBX-IBGZPJMESA-N -1 0 348.406 3.739 20 0 EHADRM CCN(Cc1ccccc1NC(=O)/C=C/c1cncc(C)c1)C(=O)[O-] ZINC000827182869 605616807 /nfs/dbraw/zinc/61/68/07/605616807.db2.gz UUFCTUSBGOFORP-CMDGGOBGSA-N -1 0 339.395 3.542 20 0 EHADRM C[C@H]1C[C@@H](C(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)CC(C)(C)C1 ZINC000833592423 605617327 /nfs/dbraw/zinc/61/73/27/605617327.db2.gz LATIUMWQNJZQDL-WDEREUQCSA-N -1 0 336.457 3.799 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)c(O)c1 ZINC000834257229 605628548 /nfs/dbraw/zinc/62/85/48/605628548.db2.gz HIIGAPMWOMTLGR-HNNXBMFYSA-N -1 0 344.342 3.599 20 0 EHADRM COc1c(F)cc(NC(=O)c2ccc(NC(=O)[O-])c(C)c2)cc1F ZINC000829072671 605632084 /nfs/dbraw/zinc/63/20/84/605632084.db2.gz SXFGYQBEBPXLRL-UHFFFAOYSA-N -1 0 336.294 3.624 20 0 EHADRM O=C([O-])Nc1cccc(CSc2nncn2-c2ccccc2)c1 ZINC000834268209 605637872 /nfs/dbraw/zinc/63/78/72/605637872.db2.gz GHQLJHRHRYIUMB-UHFFFAOYSA-N -1 0 326.381 3.650 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)NCCCc1cccs1 ZINC000834041157 605658920 /nfs/dbraw/zinc/65/89/20/605658920.db2.gz KODIRTAEIWCTJX-UHFFFAOYSA-N -1 0 345.424 3.543 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000191128883 605679383 /nfs/dbraw/zinc/67/93/83/605679383.db2.gz YDBVTPPUAWVHIH-UHFFFAOYSA-N -1 0 340.423 3.675 20 0 EHADRM Cc1cc(C(=O)N(C)CCc2ccccc2F)ccc1NC(=O)[O-] ZINC000829914520 605685757 /nfs/dbraw/zinc/68/57/57/605685757.db2.gz MFHCRXZPTDIUEE-UHFFFAOYSA-N -1 0 330.359 3.539 20 0 EHADRM CC[C@@H](c1ccncc1)N(C)C(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000826638053 605696168 /nfs/dbraw/zinc/69/61/68/605696168.db2.gz BMBUXUCEECWBJY-INIZCTEOSA-N -1 0 327.384 3.703 20 0 EHADRM Cc1cc(F)ccc1CCNC(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000830067629 605709943 /nfs/dbraw/zinc/70/99/43/605709943.db2.gz AMJLZUIIYPOZJP-UHFFFAOYSA-N -1 0 330.359 3.505 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000825808090 605724688 /nfs/dbraw/zinc/72/46/88/605724688.db2.gz HQUGYTRZKGPUSH-PBHICJAKSA-N -1 0 346.471 3.564 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CN(C(=O)C1CCC(C(=O)[O-])CC1)CC2 ZINC000194442754 605794971 /nfs/dbraw/zinc/79/49/71/605794971.db2.gz KDOUWLMYYQEQAJ-UHFFFAOYSA-N -1 0 343.467 3.760 20 0 EHADRM C[C@@H](OC(=O)CCc1ccccc1C(=O)[O-])c1nc(C2CC2)cs1 ZINC000833529339 605795904 /nfs/dbraw/zinc/79/59/04/605795904.db2.gz NWZHZFRLBIEFFG-LLVKDONJSA-N -1 0 345.420 3.956 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)Nc2cccc(-c3ncco3)c2)c1 ZINC000834265929 605803504 /nfs/dbraw/zinc/80/35/04/605803504.db2.gz GSLGDTRZOZOPQR-UHFFFAOYSA-N -1 0 337.335 3.613 20 0 EHADRM Cc1cc(C(=O)NCCc2c[nH]c3ccccc23)ccc1NC(=O)[O-] ZINC000829951299 605803509 /nfs/dbraw/zinc/80/35/09/605803509.db2.gz ZYXQMJITUMMXSL-UHFFFAOYSA-N -1 0 337.379 3.539 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(-c3cc[nH]n3)c2)ccc1NC(=O)[O-] ZINC000829965686 605806950 /nfs/dbraw/zinc/80/69/50/605806950.db2.gz DSDVCUUUGSJFBA-UHFFFAOYSA-N -1 0 336.351 3.727 20 0 EHADRM C[C@H](Oc1ccccc1)C(=O)OCc1cc(C(=O)[O-])ccc1Cl ZINC000833542086 605809051 /nfs/dbraw/zinc/80/90/51/605809051.db2.gz YYMALFRUFDNIDZ-NSHDSACASA-N -1 0 334.755 3.549 20 0 EHADRM O=C([O-])c1ccc(F)c(COC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000833781266 605814865 /nfs/dbraw/zinc/81/48/65/605814865.db2.gz XPSCEFYLMLLKIN-ZYHUDNBSSA-N -1 0 348.292 3.936 20 0 EHADRM CCCN(C(=O)c1ccc(Cl)c(C)c1)C1CCN(C(=O)[O-])CC1 ZINC000826884530 605817280 /nfs/dbraw/zinc/81/72/80/605817280.db2.gz RMLVCLQZHIPPSA-UHFFFAOYSA-N -1 0 338.835 3.643 20 0 EHADRM C[C@@H](C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])c1c(F)cccc1F ZINC000833790142 605833219 /nfs/dbraw/zinc/83/32/19/605833219.db2.gz NDZUEABZQLANCC-SNVBAGLBSA-N -1 0 346.333 3.748 20 0 EHADRM O=C([O-])NCCCCC(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000834235944 605904803 /nfs/dbraw/zinc/90/48/03/605904803.db2.gz XZLBBBMHWNDHDM-UHFFFAOYSA-N -1 0 333.432 3.808 20 0 EHADRM O=C([O-])NCCCCC(=O)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000834237111 605925870 /nfs/dbraw/zinc/92/58/70/605925870.db2.gz XKZOSDRDCIASCE-QGZVFWFLSA-N -1 0 336.407 3.611 20 0 EHADRM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2Cc1csc(C2CCCC2)n1 ZINC000832240210 605940677 /nfs/dbraw/zinc/94/06/77/605940677.db2.gz SUUYFESAGCTTQI-VHRNVKJDSA-N -1 0 349.500 3.954 20 0 EHADRM Cc1nc(NC(=O)[O-])sc1C(=O)N(C)[C@H](C)c1ccccc1F ZINC000833913439 605940820 /nfs/dbraw/zinc/94/08/20/605940820.db2.gz CBLVFTXRJSQHOX-SECBINFHSA-N -1 0 337.376 3.514 20 0 EHADRM Cc1nc(NC(=O)[O-])sc1C(=O)N(C)Cc1cc2ccccc2o1 ZINC000833913898 605946332 /nfs/dbraw/zinc/94/63/32/605946332.db2.gz MNMIWQNTXRIGRI-UHFFFAOYSA-N -1 0 345.380 3.560 20 0 EHADRM Cc1cccnc1CN[C@H](CNC(=O)[O-])c1ccc2ccccc2c1 ZINC000833909527 605973632 /nfs/dbraw/zinc/97/36/32/605973632.db2.gz CSZBDPPXGVKHNF-LJQANCHMSA-N -1 0 335.407 3.642 20 0 EHADRM O=C([O-])N1CCc2c(cccc2NCc2cnoc2-c2ccco2)C1 ZINC000834123517 605992598 /nfs/dbraw/zinc/99/25/98/605992598.db2.gz SNOCQGVRAHDXRP-UHFFFAOYSA-N -1 0 339.351 3.583 20 0 EHADRM Cc1cc(C(=O)N(CCc2nccs2)C(C)C)ccc1NC(=O)[O-] ZINC000833897978 606000937 /nfs/dbraw/zinc/00/09/37/606000937.db2.gz CSHCNGGMAJBEQX-UHFFFAOYSA-N -1 0 347.440 3.635 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2cccc(-c3ncco3)c2)ccc1F ZINC000834257074 606004837 /nfs/dbraw/zinc/00/48/37/606004837.db2.gz ROBSUHTXGPLLMU-UHFFFAOYSA-N -1 0 341.298 3.823 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)c1c[nH]c(-c2ccccc2)n1 ZINC000833905781 606005404 /nfs/dbraw/zinc/00/54/04/606005404.db2.gz BUBODZHXJAIUGJ-UHFFFAOYSA-N -1 0 336.351 3.727 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NCc1ncccc1C(F)(F)F ZINC000834119431 606039842 /nfs/dbraw/zinc/03/98/42/606039842.db2.gz OWNHRSIATHHJHS-UHFFFAOYSA-N -1 0 337.301 3.753 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)Cc1ccccc1NC(=O)[O-])C(C)C ZINC000833910188 606061967 /nfs/dbraw/zinc/06/19/67/606061967.db2.gz HWAGLXQGFNEXPF-KRWDZBQOSA-N -1 0 341.411 3.536 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000834271435 606062920 /nfs/dbraw/zinc/06/29/20/606062920.db2.gz SFULPMXLEBAMOA-IBGZPJMESA-N -1 0 328.412 3.668 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)[C@@H](c1ccccc1)C1CC1 ZINC000834055758 606065575 /nfs/dbraw/zinc/06/55/75/606065575.db2.gz DORXJADWUKIGCU-SFHVURJKSA-N -1 0 336.391 3.859 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC000834271788 606067922 /nfs/dbraw/zinc/06/79/22/606067922.db2.gz LOWXNWJJOGNNJG-AWEZNQCLSA-N -1 0 344.333 3.556 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2c3nsnc3ccc2Cl)cc1 ZINC000834256053 606089910 /nfs/dbraw/zinc/08/99/10/606089910.db2.gz NTLCGKSEIFPMDI-UHFFFAOYSA-N -1 0 348.771 3.687 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)O[C@@H](C1CCCC1)C(F)(F)F ZINC000834273360 606094005 /nfs/dbraw/zinc/09/40/05/606094005.db2.gz LTMIABPQQVGGHY-AWEZNQCLSA-N -1 0 345.317 3.983 20 0 EHADRM O=C([O-])C1(NC(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 ZINC000173000158 939032866 /nfs/dbraw/zinc/03/28/66/939032866.db2.gz CKFCNSZUAPNPQL-UHFFFAOYSA-N -1 0 330.192 3.555 20 0 EHADRM Cc1cccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1C ZINC000181897946 939033991 /nfs/dbraw/zinc/03/39/91/939033991.db2.gz WAWXIEDHPKEEQQ-OAHLLOKOSA-N -1 0 335.762 3.652 20 0 EHADRM O=C([O-])[C@H](NC(=O)CC1CCC(C(F)(F)F)CC1)c1ccccc1 ZINC000190745059 939035805 /nfs/dbraw/zinc/03/58/05/939035805.db2.gz XNLSEPKGSNVZQX-ABIUDSBCSA-N -1 0 343.345 3.687 20 0 EHADRM Cc1cscc1C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000191480704 939038025 /nfs/dbraw/zinc/03/80/25/939038025.db2.gz WIUUZFCSURVTPJ-MRXNPFEDSA-N -1 0 325.389 3.765 20 0 EHADRM Cc1cc2cc(NC(=O)N[C@]3(C(=O)[O-])CCc4ccccc43)ccc2[nH]1 ZINC000684744140 939046107 /nfs/dbraw/zinc/04/61/07/939046107.db2.gz GPCZOMKROZRIMA-HXUWFJFHSA-N -1 0 349.390 3.524 20 0 EHADRM C[C@@H](CC(=O)NC1(C(=O)[O-])CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000237391475 939046506 /nfs/dbraw/zinc/04/65/06/939046506.db2.gz VWQXWARJDIVHJC-NSHDSACASA-N -1 0 343.345 3.713 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000237538975 939047190 /nfs/dbraw/zinc/04/71/90/939047190.db2.gz OKVSZTPIFSKQKA-XHDPSFHLSA-N -1 0 349.839 3.763 20 0 EHADRM CCC(C)(C)N(C)C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(C)c1 ZINC000684895164 939052455 /nfs/dbraw/zinc/05/24/55/939052455.db2.gz PSAAFPZNLFKMQQ-ZDUSSCGKSA-N -1 0 326.824 3.604 20 0 EHADRM O=C([O-])C1(NC(=O)c2ccc(-c3ccc(F)cc3)s2)CCCC1 ZINC000237978447 939052699 /nfs/dbraw/zinc/05/26/99/939052699.db2.gz FRJIFDHABQCVCM-UHFFFAOYSA-N -1 0 333.384 3.681 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc2c(c1)Cc1ccccc1-2)c1ccccc1 ZINC000238038796 939055874 /nfs/dbraw/zinc/05/58/74/939055874.db2.gz FXFILHJMNIOPEL-HXUWFJFHSA-N -1 0 343.382 3.814 20 0 EHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000761595462 939067821 /nfs/dbraw/zinc/06/78/21/939067821.db2.gz RWSMJWYUEZCNAN-HSNDNRACSA-N -1 0 343.810 3.860 20 0 EHADRM CSc1ccc(C)c(C(=O)N[C@H](C(=O)[O-])c2ccc(C)c(C)c2)c1 ZINC000263003548 939092142 /nfs/dbraw/zinc/09/21/42/939092142.db2.gz PBLBOHCFGAKQCP-KRWDZBQOSA-N -1 0 343.448 3.889 20 0 EHADRM CCC(CC)c1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)on1 ZINC000263101078 939100111 /nfs/dbraw/zinc/10/01/11/939100111.db2.gz RCDJPRAWSXCPCX-MRXNPFEDSA-N -1 0 348.374 3.581 20 0 EHADRM Cc1cccc([C@H](NC(=O)CCCc2cccs2)C(=O)[O-])c1C ZINC000263129864 939102640 /nfs/dbraw/zinc/10/26/40/939102640.db2.gz SRMBEDKGHZADCC-KRWDZBQOSA-N -1 0 331.437 3.630 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N[C@@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC000263171565 939106341 /nfs/dbraw/zinc/10/63/41/939106341.db2.gz KRYXDZGBCBDUHJ-GOSISDBHSA-N -1 0 333.359 3.580 20 0 EHADRM Cc1ccc(NC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc1Cl ZINC000320291585 939123697 /nfs/dbraw/zinc/12/36/97/939123697.db2.gz QDWYVLWKYXZADH-KRWDZBQOSA-N -1 0 332.787 3.770 20 0 EHADRM CCC1CCC(NC(=O)[C@@H]2CCCc3sccc32)(C(=O)[O-])CC1 ZINC000322401196 939124815 /nfs/dbraw/zinc/12/48/15/939124815.db2.gz VBJSZNPBRVRBMJ-HZEYSBKDSA-N -1 0 335.469 3.708 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NC2(C(=O)[O-])CCCCCC2)o1 ZINC000323979082 939125625 /nfs/dbraw/zinc/12/56/25/939125625.db2.gz YCBFBIKCZBDTKE-HIFRSBDPSA-N -1 0 333.428 3.629 20 0 EHADRM Cc1ccc(-c2nc(C(=O)NC3(C(=O)[O-])CCCCC3)cs2)cc1 ZINC000338596555 939127741 /nfs/dbraw/zinc/12/77/41/939127741.db2.gz OMYACRIASQAKAB-UHFFFAOYSA-N -1 0 344.436 3.636 20 0 EHADRM CCC1CCC(NC(=O)Nc2nc(C3CC3)cs2)(C(=O)[O-])CC1 ZINC000390561173 939135175 /nfs/dbraw/zinc/13/51/75/939135175.db2.gz MOKGYPXTGDSYDP-UHFFFAOYSA-N -1 0 337.445 3.566 20 0 EHADRM Cc1ccc(NC(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)cc1C ZINC000788320771 939150310 /nfs/dbraw/zinc/15/03/10/939150310.db2.gz FUOGGJBVKBLMTK-HNNXBMFYSA-N -1 0 334.322 3.529 20 0 EHADRM O=C([O-])C1(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CCCCCC1 ZINC000432004705 939171355 /nfs/dbraw/zinc/17/13/55/939171355.db2.gz CIAOCLCKYWQNMA-CABCVRRESA-N -1 0 335.831 3.737 20 0 EHADRM CCCc1ccc(NC(=O)N[C@]2(C(=O)[O-])CCc3ccccc32)cc1 ZINC000797735725 939198422 /nfs/dbraw/zinc/19/84/22/939198422.db2.gz VUNNVLUVJIAAGY-HXUWFJFHSA-N -1 0 338.407 3.687 20 0 EHADRM Cc1cccc([C@@H](NC(=O)[C@H]2CCCc3sccc32)C(=O)[O-])c1C ZINC000455936260 939215440 /nfs/dbraw/zinc/21/54/40/939215440.db2.gz UHBFMPYUDOCHAJ-DOTOQJQBSA-N -1 0 343.448 3.727 20 0 EHADRM CC(C)(C)OC(=O)N[C@](C)(C(=O)[O-])c1ccc(-c2ccco2)cc1 ZINC000863973160 939246086 /nfs/dbraw/zinc/24/60/86/939246086.db2.gz FIQCBKJOWVCHGR-SFHVURJKSA-N -1 0 331.368 3.771 20 0 EHADRM CCc1cccc(NC(=O)N[C@](CC)(C(=O)[O-])c2ccccc2)c1 ZINC000517666646 939249133 /nfs/dbraw/zinc/24/91/33/939249133.db2.gz SPYDXIGKTSPWTF-IBGZPJMESA-N -1 0 326.396 3.761 20 0 EHADRM Cc1cccc(CCC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000539570053 939282096 /nfs/dbraw/zinc/28/20/96/939282096.db2.gz ZFSBQHGIBISEJW-KRWDZBQOSA-N -1 0 349.789 3.662 20 0 EHADRM Cc1cccc([C@H](C)C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000540667068 939289593 /nfs/dbraw/zinc/28/95/93/939289593.db2.gz SCHOBQLYJMYXOC-ZBEGNZNMSA-N -1 0 349.789 3.833 20 0 EHADRM CC(C)C[C@@H](C)NC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000562459184 939332051 /nfs/dbraw/zinc/33/20/51/939332051.db2.gz MTOXISDOPHXVIG-DYVFJYSZSA-N -1 0 328.412 3.699 20 0 EHADRM O=C([O-])C1(NC(=O)NCc2ccc(C(F)F)cc2)CCCCCC1 ZINC000562973992 939337874 /nfs/dbraw/zinc/33/78/74/939337874.db2.gz FUJAJFJDWNQOOU-UHFFFAOYSA-N -1 0 340.370 3.601 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2ccc(OC3CCCC3)cc2)CCCCC1 ZINC000563912907 939342119 /nfs/dbraw/zinc/34/21/19/939342119.db2.gz MJFBLRBVBXTVLN-UHFFFAOYSA-N -1 0 346.427 3.917 20 0 EHADRM CO[C@@H]1CCC[C@H]([C@@H](NC(=O)Nc2ccccc2C(C)C)C(=O)[O-])C1 ZINC000565042772 939346650 /nfs/dbraw/zinc/34/66/50/939346650.db2.gz AUIIMRKCRHOUJM-JJRVBVJISA-N -1 0 348.443 3.590 20 0 EHADRM Cc1cc(C)cc([C@H](NC(=O)NCc2ccccc2Cl)C(=O)[O-])c1 ZINC000566046325 939353275 /nfs/dbraw/zinc/35/32/75/939353275.db2.gz QPMMUSVMJDNXKO-INIZCTEOSA-N -1 0 346.814 3.582 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CCCc1ccc(Cl)cc1)c1ccsc1 ZINC000566506964 939354593 /nfs/dbraw/zinc/35/45/93/939354593.db2.gz LMLCTEDTGIFJAL-HNNXBMFYSA-N -1 0 337.828 3.666 20 0 EHADRM CC[C@@](NC(=O)[C@H](C)OC1CCCCCC1)(C(=O)[O-])c1ccccc1 ZINC000567535118 939362585 /nfs/dbraw/zinc/36/25/85/939362585.db2.gz XCUOVKXEZXCERJ-YWZLYKJASA-N -1 0 347.455 3.621 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CC[C@@H]1CCc2ccccc21)c1cccs1 ZINC000909638864 939724580 /nfs/dbraw/zinc/72/45/80/939724580.db2.gz SFDQVXXSGGUBEZ-GUYCJALGSA-N -1 0 329.421 3.500 20 0 EHADRM CCSc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000575349530 939733227 /nfs/dbraw/zinc/73/32/27/939733227.db2.gz KRQPVSWKSPGPPF-HNNXBMFYSA-N -1 0 330.409 3.746 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2ccsc2C(F)F)C(=O)[O-])c1C ZINC000923081303 939785041 /nfs/dbraw/zinc/78/50/41/939785041.db2.gz LZUIFMQEXDNGEQ-GFCCVEGCSA-N -1 0 339.363 3.858 20 0 EHADRM C[C@@](NC(=O)Nc1cccc(-c2cccs2)c1)(C(=O)[O-])C1CC1 ZINC000584013054 939794825 /nfs/dbraw/zinc/79/48/25/939794825.db2.gz WNNADXUHXSXRPE-KRWDZBQOSA-N -1 0 330.409 3.790 20 0 EHADRM Cc1cc([C@H](C)NC(=O)N[C@@H](C(=O)[O-])c2ccsc2)c(C)s1 ZINC000584506925 939798389 /nfs/dbraw/zinc/79/83/89/939798389.db2.gz BXXGMIKZVBTGGX-TVQRCGJNSA-N -1 0 338.454 3.613 20 0 EHADRM CC[C@@](NC(=O)c1oc(C(F)F)cc1C)(C(=O)[O-])c1ccccc1 ZINC000630127629 939812035 /nfs/dbraw/zinc/81/20/35/939812035.db2.gz UGOYLDNYCUOTQP-KRWDZBQOSA-N -1 0 337.322 3.646 20 0 EHADRM CC1(C)CCC[C@](NC(=O)C[C@]23CCCC[C@H]2C3(F)F)(C(=O)[O-])C1 ZINC000630247881 939820439 /nfs/dbraw/zinc/82/04/39/939820439.db2.gz KPBPZUBCFPEANA-CSMYWGQOSA-N -1 0 343.414 3.742 20 0 EHADRM CCc1cc(NC(=O)N[C@H](C(=O)[O-])c2cccc(OC)c2)ccc1C ZINC000656505811 939843919 /nfs/dbraw/zinc/84/39/19/939843919.db2.gz OVLKSCPYUDCYGE-KRWDZBQOSA-N -1 0 342.395 3.513 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@@H](C(=O)[O-])C3CCCC3)c2)cs1 ZINC000663029585 939850538 /nfs/dbraw/zinc/85/05/38/939850538.db2.gz AHPWVJDOWJVREO-INIZCTEOSA-N -1 0 344.436 3.948 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1cccc(CC(F)(F)F)c1)C1CCCC1 ZINC000663083119 939853541 /nfs/dbraw/zinc/85/35/41/939853541.db2.gz QLTJDGLSJKTECY-ZDUSSCGKSA-N -1 0 329.318 3.621 20 0 EHADRM CC(C)[C@@H](CC(=O)N[C@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000675979187 939864064 /nfs/dbraw/zinc/86/40/64/939864064.db2.gz CWPFGKNTUXHPND-NQIIRXRSSA-N -1 0 339.435 3.933 20 0 EHADRM CC[C@@H](CC(=O)N[C@@]1(C(=O)[O-])CCc2ccccc21)c1ccccc1 ZINC000675991183 939867631 /nfs/dbraw/zinc/86/76/31/939867631.db2.gz MWCCEDWDNCIOHA-BTYIYWSLSA-N -1 0 337.419 3.613 20 0 EHADRM C[C@H]1CCc2c(C(=O)N[C@@H](C(=O)[O-])c3ccccc3F)csc2C1 ZINC000678987179 939869292 /nfs/dbraw/zinc/86/92/92/939869292.db2.gz PTADMOGHBKSXKM-MGPLVRAMSA-N -1 0 347.411 3.568 20 0 EHADRM CC(C)(C)c1ccc(CNC(=O)N[C@H](C(=O)[O-])c2cccs2)cc1 ZINC000684718801 939872157 /nfs/dbraw/zinc/87/21/57/939872157.db2.gz NCWSNUZZTLUYCS-HNNXBMFYSA-N -1 0 346.452 3.671 20 0 EHADRM CC[C@@H](NC(=O)N[C@@H](C(=O)[O-])c1ccccc1F)c1ccc(C)cc1 ZINC000684727852 939873498 /nfs/dbraw/zinc/87/34/98/939873498.db2.gz BIEPUAXIUICSLY-IAGOWNOFSA-N -1 0 344.386 3.710 20 0 EHADRM Cc1cc(NC(=O)c2cc3c(ccnc3Cl)o2)ccc1C(=O)[O-] ZINC001600274545 970791627 /nfs/dbraw/zinc/79/16/27/970791627.db2.gz LXPFUDPINUHORK-UHFFFAOYSA-N -1 0 330.727 3.740 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2Cc1ccc([N+](=O)[O-])cc1Cl ZINC000321878167 970820414 /nfs/dbraw/zinc/82/04/14/970820414.db2.gz PRDWRFASTGZDAR-UHFFFAOYSA-N -1 0 332.743 3.509 20 0 EHADRM Cc1c(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cccc1C(=O)[O-] ZINC000321938564 970828167 /nfs/dbraw/zinc/82/81/67/970828167.db2.gz UDAORZZNBCQVOR-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2ccccc2SC(F)F)CCCC1 ZINC000321966600 970830995 /nfs/dbraw/zinc/83/09/95/970830995.db2.gz GXZUVPZDHJUKJH-UHFFFAOYSA-N -1 0 344.383 3.910 20 0 EHADRM C[C@@H](Cc1cccs1)N(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000322005334 970835331 /nfs/dbraw/zinc/83/53/31/970835331.db2.gz RQSCSCJCPHPTIC-JTQLQIEISA-N -1 0 336.388 3.680 20 0 EHADRM CCC1CCC(NC(=O)c2cc(F)c(Cl)cc2F)(C(=O)[O-])CC1 ZINC000322116539 970848341 /nfs/dbraw/zinc/84/83/41/970848341.db2.gz MLQXRPAYPOXMMW-UHFFFAOYSA-N -1 0 345.773 3.772 20 0 EHADRM CSc1ccc([C@@H](C)NC(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC000322456709 970889573 /nfs/dbraw/zinc/88/95/73/970889573.db2.gz GEWLPSALJDNSLI-GFCCVEGCSA-N -1 0 329.421 3.527 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)Nc2cc(F)cc(Cl)c2)C1 ZINC000322490349 970893200 /nfs/dbraw/zinc/89/32/00/970893200.db2.gz ALZXZWBVZJGETB-SNVBAGLBSA-N -1 0 342.798 3.834 20 0 EHADRM Cc1cc(Cl)cc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000322687046 970918864 /nfs/dbraw/zinc/91/88/64/970918864.db2.gz IIIHDOVCRNKFTG-OAHLLOKOSA-N -1 0 329.783 3.867 20 0 EHADRM O=C([O-])C1CCC(NC(=O)C[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001601249057 970966134 /nfs/dbraw/zinc/96/61/34/970966134.db2.gz FASNHWAHSZMTSU-QCXCNERSSA-N -1 0 335.366 3.505 20 0 EHADRM CC(C)(C)c1cc(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)cc(Cl)n1 ZINC000323202972 970976312 /nfs/dbraw/zinc/97/63/12/970976312.db2.gz GORCHEZFGDPWMU-GFCCVEGCSA-N -1 0 340.851 3.652 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)Cc2cccc(Cl)c2F)c2ccccc21 ZINC001601821297 971054144 /nfs/dbraw/zinc/05/41/44/971054144.db2.gz KKLMZZDATKCGGB-ZDUSSCGKSA-N -1 0 347.773 3.627 20 0 EHADRM Cc1cccc(OCCC(=O)Nc2ccc(F)cc2C(=O)[O-])c1C ZINC000323898729 971055210 /nfs/dbraw/zinc/05/52/10/971055210.db2.gz PDPADCWBVJOWPA-UHFFFAOYSA-N -1 0 331.343 3.548 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](c2nc(-c3cnc4ccsc4c3)no2)C1 ZINC000323912051 971055599 /nfs/dbraw/zinc/05/55/99/971055599.db2.gz KATZYALZAOYGLT-NXEZZACHSA-N -1 0 329.381 3.705 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](c2nc(-c3cnc4ccsc4c3)no2)C1 ZINC000323912062 971056024 /nfs/dbraw/zinc/05/60/24/971056024.db2.gz KATZYALZAOYGLT-ZJUUUORDSA-N -1 0 329.381 3.705 20 0 EHADRM COc1cccc(CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)c1 ZINC000324123735 971086790 /nfs/dbraw/zinc/08/67/90/971086790.db2.gz QNNLDHRDQUZQFG-UHFFFAOYSA-N -1 0 345.420 3.515 20 0 EHADRM Cc1c(C(=O)[O-])cc(CNc2ccc(OC(F)(F)F)cc2)n1C ZINC000324141364 971087886 /nfs/dbraw/zinc/08/78/86/971087886.db2.gz MKILSSNQWDYYAM-UHFFFAOYSA-N -1 0 328.290 3.542 20 0 EHADRM Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])Cc3ccccc32)ccc1Cl ZINC000324167785 971091893 /nfs/dbraw/zinc/09/18/93/971091893.db2.gz JVERAIRBWGICBJ-AWEZNQCLSA-N -1 0 329.783 3.552 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000324184515 971093759 /nfs/dbraw/zinc/09/37/59/971093759.db2.gz IMWGVSCKGUFZRM-UHFFFAOYSA-N -1 0 331.274 3.970 20 0 EHADRM O=C([O-])c1ccc(C[S@@](=O)Cc2ncc(Cl)cc2Cl)cc1 ZINC001611543010 971100367 /nfs/dbraw/zinc/10/03/67/971100367.db2.gz BKJIHORRBUFTPC-OAQYLSRUSA-N -1 0 344.219 3.536 20 0 EHADRM O=C([O-])CCCCC(=O)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC001601979973 971107113 /nfs/dbraw/zinc/10/71/13/971107113.db2.gz JQSXSFZIRFVVFT-CQSZACIVSA-N -1 0 341.860 3.678 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)Nc2cccc(OCC(=O)[O-])c2)c(C)s1 ZINC000324519438 971129022 /nfs/dbraw/zinc/12/90/22/971129022.db2.gz OXHSOCAXNGKZQA-LLVKDONJSA-N -1 0 348.424 3.711 20 0 EHADRM CCc1cccc(C)c1NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000324581373 971135057 /nfs/dbraw/zinc/13/50/57/971135057.db2.gz XHGIBQXWFVPNLI-UHFFFAOYSA-N -1 0 326.396 3.920 20 0 EHADRM O=C([O-])COC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccco1)CC2 ZINC001602077335 971143251 /nfs/dbraw/zinc/14/32/51/971143251.db2.gz YJRGUNJVRYMOLX-ZRDIBKRKSA-N -1 0 349.342 3.556 20 0 EHADRM Cc1oc(COc2ccc([N+](=O)[O-])c3ccccc23)cc1C(=O)[O-] ZINC000324803039 971158038 /nfs/dbraw/zinc/15/80/38/971158038.db2.gz NOEQOUGAXXNBAJ-UHFFFAOYSA-N -1 0 327.292 3.927 20 0 EHADRM O=C([O-])Cc1ccc(OCc2nnc(-c3ccccc3Cl)o2)cc1 ZINC000324829656 971162084 /nfs/dbraw/zinc/16/20/84/971162084.db2.gz BWIKJDHXBXOEOP-UHFFFAOYSA-N -1 0 344.754 3.596 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)nc1 ZINC001602374497 971190380 /nfs/dbraw/zinc/19/03/80/971190380.db2.gz JKGSUCNOTGPKPO-DLBZAZTESA-N -1 0 332.359 3.675 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)Nc1cccc(Cl)c1F)CC2 ZINC000325244851 971197434 /nfs/dbraw/zinc/19/74/34/971197434.db2.gz IYCFAAKCLLQISX-UHFFFAOYSA-N -1 0 348.761 3.768 20 0 EHADRM O=C([O-])C1(CNc2ccc([N+](=O)[O-])c3cnccc23)CCCCC1 ZINC000325370580 971209128 /nfs/dbraw/zinc/20/91/28/971209128.db2.gz KAXFZPRILAZLGL-UHFFFAOYSA-N -1 0 329.356 3.590 20 0 EHADRM CSc1cccc(NC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)c1 ZINC000325386443 971211583 /nfs/dbraw/zinc/21/15/83/971211583.db2.gz URYWHRBXMJHCAF-UHFFFAOYSA-N -1 0 342.420 3.697 20 0 EHADRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2ccc(C(F)(F)F)cc2)c1 ZINC000325407994 971212346 /nfs/dbraw/zinc/21/23/46/971212346.db2.gz CKGOTKZETCMTLM-UHFFFAOYSA-N -1 0 340.257 3.924 20 0 EHADRM COc1ccc(NC(=O)c2cc3c(cccc3F)s2)c(C(=O)[O-])c1 ZINC000325431458 971216022 /nfs/dbraw/zinc/21/60/22/971216022.db2.gz RJMPCUGTKGXNTN-UHFFFAOYSA-N -1 0 345.351 4.000 20 0 EHADRM C[C@@H](Cc1cccs1)N(C)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000325543300 971225214 /nfs/dbraw/zinc/22/52/14/971225214.db2.gz TXZQSSODVOWBEA-ZDUSSCGKSA-N -1 0 346.452 3.860 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)N2CCC[C@@H]2C2CCCC2)cc1F ZINC000325624932 971231566 /nfs/dbraw/zinc/23/15/66/971231566.db2.gz SIEKRFGHELFHBO-CQSZACIVSA-N -1 0 338.354 3.850 20 0 EHADRM Cc1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])cc1 ZINC000325694921 971237377 /nfs/dbraw/zinc/23/73/77/971237377.db2.gz TVMAVTSIUQUFME-UHFFFAOYSA-N -1 0 337.297 3.893 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)Nc1ccc(F)cc1Cl)CC2 ZINC000325832462 971247493 /nfs/dbraw/zinc/24/74/93/971247493.db2.gz VKVQRWLYDCBFNT-UHFFFAOYSA-N -1 0 348.761 3.768 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000326658187 971313903 /nfs/dbraw/zinc/31/39/03/971313903.db2.gz ZPKVLMFGOYXDTQ-MGPQQGTHSA-N -1 0 349.393 3.895 20 0 EHADRM CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c(C(=O)[O-])c1 ZINC000326749494 971324671 /nfs/dbraw/zinc/32/46/71/971324671.db2.gz KTGDDEBAOXNVBN-UHFFFAOYSA-N -1 0 348.742 3.761 20 0 EHADRM CCCCc1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1 ZINC000326711106 971320413 /nfs/dbraw/zinc/32/04/13/971320413.db2.gz YWPCQYRLCOWACZ-LJQANCHMSA-N -1 0 337.419 3.681 20 0 EHADRM COc1ccccc1CN(C(=O)CC1(CC(=O)[O-])CCCC1)C1CC1 ZINC000326839832 971333372 /nfs/dbraw/zinc/33/33/72/971333372.db2.gz LEUYFQYWXSQELU-UHFFFAOYSA-N -1 0 345.439 3.611 20 0 EHADRM CC(C)C(=O)Nc1cccc(NC(=O)CC2(CC(=O)[O-])CCCC2)c1 ZINC000327145010 971370732 /nfs/dbraw/zinc/37/07/32/971370732.db2.gz SZISZPKQYPSMJZ-UHFFFAOYSA-N -1 0 346.427 3.645 20 0 EHADRM Cc1cc(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)c2ccccc2n1 ZINC000327199295 971375983 /nfs/dbraw/zinc/37/59/83/971375983.db2.gz CFPKQAOLBBEMDE-LJQANCHMSA-N -1 0 332.403 3.727 20 0 EHADRM COc1cccc([C@H]2CCCN2C(=O)CC2(CC(=O)[O-])CCCC2)c1 ZINC000327371968 971393042 /nfs/dbraw/zinc/39/30/42/971393042.db2.gz LXIUZVLKBMYQSI-QGZVFWFLSA-N -1 0 345.439 3.784 20 0 EHADRM C[C@@H]1Cc2ccccc2N(CCOc2ccc(/C=C/C(=O)[O-])cc2)C1 ZINC000327646818 971415206 /nfs/dbraw/zinc/41/52/06/971415206.db2.gz UPKVYSWRTNLASI-YCABEKBOSA-N -1 0 337.419 3.862 20 0 EHADRM CCCOc1ccc(NC(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1 ZINC000327618661 971412710 /nfs/dbraw/zinc/41/27/10/971412710.db2.gz NFOXCKDQWVOHQX-UHFFFAOYSA-N -1 0 344.367 3.583 20 0 EHADRM Cc1ccc(OCCC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])c(C)c1 ZINC000327676338 971417256 /nfs/dbraw/zinc/41/72/56/971417256.db2.gz LXYBSORSFJMPBV-QGZVFWFLSA-N -1 0 347.455 3.612 20 0 EHADRM Cc1cccc(C2(C(=O)N[C@H](CC3CCCCC3)C(=O)[O-])CCC2)c1 ZINC000327833031 971427612 /nfs/dbraw/zinc/42/76/12/971427612.db2.gz PKHHHYGEAVJUBR-GOSISDBHSA-N -1 0 343.467 3.957 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)N1CCC[C@](CC)(C(=O)[O-])C1 ZINC001589561134 948809716 /nfs/dbraw/zinc/80/97/16/948809716.db2.gz ILKJLRDYOBVNQI-XLIONFOSSA-N -1 0 331.456 3.667 20 0 EHADRM CC[C@H](NC(=O)N1CCC[C@](CC)(C(=O)[O-])C1)c1ccc(C)cc1 ZINC001589564222 948841554 /nfs/dbraw/zinc/84/15/54/948841554.db2.gz ISMPZZHFQNNRPW-LPHOPBHVSA-N -1 0 332.444 3.733 20 0 EHADRM Cc1ccc(C(C)C)c(OCC(=O)N(CC(=O)[O-])c2ccccc2)c1 ZINC000337742460 971516205 /nfs/dbraw/zinc/51/62/05/971516205.db2.gz LXFYDWBGSIQPSS-UHFFFAOYSA-N -1 0 341.407 3.615 20 0 EHADRM CCC(CC)(NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000342520399 971517884 /nfs/dbraw/zinc/51/78/84/971517884.db2.gz GPFBMZDUIWCYPA-LBPRGKRZSA-N -1 0 325.836 3.668 20 0 EHADRM CCC(CC)(NC(=O)c1cc(-c2ccccn2)ccc1Cl)C(=O)[O-] ZINC000342580937 971519227 /nfs/dbraw/zinc/51/92/27/971519227.db2.gz YJHCDUOTLDNVOV-UHFFFAOYSA-N -1 0 346.814 3.775 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1cc(Br)ccc1Cl ZINC000061691526 948946167 /nfs/dbraw/zinc/94/61/67/948946167.db2.gz IFUBPIFLXCWJJA-UHFFFAOYSA-N -1 0 334.597 3.686 20 0 EHADRM CCCC[C@H](NC(=O)c1ccc(-c2ccc(CC)cc2)o1)C(=O)[O-] ZINC000347256180 971521907 /nfs/dbraw/zinc/52/19/07/971521907.db2.gz FZSOJUUBWUJOHD-HNNXBMFYSA-N -1 0 329.396 3.882 20 0 EHADRM CSCc1ccc(CNC(=O)CC2(CC(=O)[O-])CCCC2)cc1 ZINC000349002945 971527964 /nfs/dbraw/zinc/52/79/64/971527964.db2.gz IYEULPFFVFXBCE-UHFFFAOYSA-N -1 0 335.469 3.591 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000358614116 971532731 /nfs/dbraw/zinc/53/27/31/971532731.db2.gz SQEJFLQKEUKYCB-HNNXBMFYSA-N -1 0 345.370 3.869 20 0 EHADRM Cc1oc(CN(C)C(=O)c2occc2-c2ccccc2)cc1C(=O)[O-] ZINC000362747820 971537300 /nfs/dbraw/zinc/53/73/00/971537300.db2.gz NDSKVZOIGSRNHN-UHFFFAOYSA-N -1 0 339.347 3.818 20 0 EHADRM C[C@H](C(=O)N1CCC[C@@H](C)[C@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001602789728 971547971 /nfs/dbraw/zinc/54/79/71/971547971.db2.gz TZVSDBAMQYJADK-SUNKGSAMSA-N -1 0 343.345 3.521 20 0 EHADRM CCC1(CC)CCC(NC(=O)c2cccc(OCC(=O)[O-])c2)CC1 ZINC001589612651 949340504 /nfs/dbraw/zinc/34/05/04/949340504.db2.gz WZJQTEFAOABLJO-UHFFFAOYSA-N -1 0 333.428 3.629 20 0 EHADRM CC[C@@H]1CCCC[C@H]1CNC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001589621596 949417603 /nfs/dbraw/zinc/41/76/03/949417603.db2.gz LQAPITXIINCXLG-RVKKMQEKSA-N -1 0 344.455 3.596 20 0 EHADRM CC[C@@H]1CCc2c(sc(NC(=O)[C@H](C)SC)c2C(=O)[O-])C1 ZINC001589622664 949437566 /nfs/dbraw/zinc/43/75/66/949437566.db2.gz LLXJTARORFGXLM-DTWKUNHWSA-N -1 0 327.471 3.651 20 0 EHADRM CCC[C@@H]1CCCC[C@@H]1NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001589637888 949635929 /nfs/dbraw/zinc/63/59/29/949635929.db2.gz UFKCZEXYOYDWNN-JLSDUUJJSA-N -1 0 344.455 3.739 20 0 EHADRM CCCCC1CCC(CNC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)CC1 ZINC001589639759 949671037 /nfs/dbraw/zinc/67/10/37/949671037.db2.gz KNWLAZYKRPYEBL-OTBWCIGPSA-N -1 0 338.492 3.735 20 0 EHADRM CCCCC[C@H](NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1)c1ccccc1 ZINC001589642088 949702649 /nfs/dbraw/zinc/70/26/49/949702649.db2.gz KGXBYQJTCUENHY-SQNIBIBYSA-N -1 0 347.455 3.694 20 0 EHADRM CCCCn1ncc(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)c1C(C)C ZINC001589658528 949822678 /nfs/dbraw/zinc/82/26/78/949822678.db2.gz BJPWJXBYVBTORK-GOSISDBHSA-N -1 0 333.432 3.556 20 0 EHADRM O=C([O-])c1ccc(Br)c(NC(=O)NC2CCCCC2)c1 ZINC000236477772 949916115 /nfs/dbraw/zinc/91/61/15/949916115.db2.gz JDQZOCNHJACUPK-UHFFFAOYSA-N -1 0 341.205 3.602 20 0 EHADRM CCCCc1nc2cc(NC(=O)[C@H](C(=O)[O-])C3CCCC3)ccc2[nH]1 ZINC001589668164 949918086 /nfs/dbraw/zinc/91/80/86/949918086.db2.gz YVWIFLFSBMKLIJ-QGZVFWFLSA-N -1 0 343.427 3.735 20 0 EHADRM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(CSc2ccccc2)cc1 ZINC000238081419 949992105 /nfs/dbraw/zinc/99/21/05/949992105.db2.gz NRQADBLETVUVNT-QGZVFWFLSA-N -1 0 341.432 3.668 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)C1 ZINC000261608146 950045885 /nfs/dbraw/zinc/04/58/85/950045885.db2.gz BLXLNSKRAXRISX-RBUKOAKNSA-N -1 0 337.419 3.716 20 0 EHADRM CCCc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])ccc1Cl ZINC001589688790 950095055 /nfs/dbraw/zinc/09/50/55/950095055.db2.gz ACEYNTOCUMHMFT-QGZVFWFLSA-N -1 0 345.826 3.718 20 0 EHADRM Cc1ccccc1COc1cccc(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])c1 ZINC000262665276 950150377 /nfs/dbraw/zinc/15/03/77/950150377.db2.gz OJTCBXRKTZOGAR-QZTJIDSGSA-N -1 0 339.391 3.623 20 0 EHADRM Cc1ccc(SCC(F)(F)F)c(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])c1 ZINC000262682585 950152299 /nfs/dbraw/zinc/15/22/99/950152299.db2.gz WYNQKLDLVZSCEZ-NXEZZACHSA-N -1 0 347.358 3.699 20 0 EHADRM CC(C)c1cc(C(=O)NCCC(C)(C)C(=O)[O-])c2ccccc2n1 ZINC000262931183 950190731 /nfs/dbraw/zinc/19/07/31/950190731.db2.gz GYVOTRTZQSBDLA-UHFFFAOYSA-N -1 0 328.412 3.589 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000263046899 950231975 /nfs/dbraw/zinc/23/19/75/950231975.db2.gz DCTQBQBCBMPUQL-DTWKUNHWSA-N -1 0 331.199 3.568 20 0 EHADRM CCCn1ccc2cc(NC(=O)N3C[C@H](C(=O)[O-])C[C@H](C)C3)ccc21 ZINC000263112408 950272643 /nfs/dbraw/zinc/27/26/43/950272643.db2.gz LDPHOHYJRASAIX-DZGCQCFKSA-N -1 0 343.427 3.626 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)C2(Cc3cccc(F)c3)CCC2)C1 ZINC000263531807 950504039 /nfs/dbraw/zinc/50/40/39/950504039.db2.gz MTTDBUKCHQHCEL-OAHLLOKOSA-N -1 0 347.430 3.642 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000263576431 950515860 /nfs/dbraw/zinc/51/58/60/950515860.db2.gz QKCVMSPIZXLXFI-LLVKDONJSA-N -1 0 337.725 3.588 20 0 EHADRM Cc1ccc(Br)cc1C[N@@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000313610582 950791119 /nfs/dbraw/zinc/79/11/19/950791119.db2.gz KRHOWHVACKHLQH-CQSZACIVSA-N -1 0 326.234 3.587 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000315930080 950859923 /nfs/dbraw/zinc/85/99/23/950859923.db2.gz PMXWVFIMNOQBRU-LLVKDONJSA-N -1 0 328.771 3.730 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2)cn1 ZINC001602853358 971699582 /nfs/dbraw/zinc/69/95/82/971699582.db2.gz SQULDHHNGMKQMZ-OAHLLOKOSA-N -1 0 328.368 3.559 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1ccccc1C(F)(F)F ZINC000320246338 950980281 /nfs/dbraw/zinc/98/02/81/950980281.db2.gz BQJOAKRHTUPYMU-NSHDSACASA-N -1 0 329.318 3.565 20 0 EHADRM CSc1ccccc1C(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC000320642842 950997047 /nfs/dbraw/zinc/99/70/47/950997047.db2.gz IIGQTXSSWNOEDA-UHFFFAOYSA-N -1 0 327.405 3.700 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)c2sccc2-c2ccccc2)CC1 ZINC000320806950 951003361 /nfs/dbraw/zinc/00/33/61/951003361.db2.gz ZGCARZWBOBKTCA-UHFFFAOYSA-N -1 0 329.421 3.742 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000325995715 951095764 /nfs/dbraw/zinc/09/57/64/951095764.db2.gz LOMJJISVUPQHBO-WOSRLPQWSA-N -1 0 347.411 3.594 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc(Cl)nc3ccccc32)ccc1O ZINC000326101501 951096512 /nfs/dbraw/zinc/09/65/12/951096512.db2.gz XNJHFEWGIXKUDR-UHFFFAOYSA-N -1 0 342.738 3.544 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)c1ccccc1OC(F)F ZINC000327277182 951111332 /nfs/dbraw/zinc/11/13/32/951111332.db2.gz FUYHGTWKSMMPML-UHFFFAOYSA-N -1 0 347.317 3.579 20 0 EHADRM CC(C)[C@@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccc(Cl)cc1 ZINC000349499510 951133534 /nfs/dbraw/zinc/13/35/34/951133534.db2.gz KVEHKMBSEIUQOM-OAHLLOKOSA-N -1 0 332.787 3.560 20 0 EHADRM O=C([O-])CC[C@H]1C[C@H](C(=O)Nc2cccc(-c3ccccc3)c2)CO1 ZINC001595006697 951208506 /nfs/dbraw/zinc/20/85/06/951208506.db2.gz OUBFDTXAWDUBAL-WMZOPIPTSA-N -1 0 339.391 3.562 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)[C@@H]1CC2CCC1CC2 ZINC000381870561 951215053 /nfs/dbraw/zinc/21/50/53/951215053.db2.gz JLBLUOPJCJVQQA-PSQDLTRKSA-N -1 0 330.428 3.650 20 0 EHADRM CCOCCC(=O)Nc1scc(-c2ccsc2)c1C(=O)[O-] ZINC001591877207 951231766 /nfs/dbraw/zinc/23/17/66/951231766.db2.gz VQYMNGUXOSJIJP-UHFFFAOYSA-N -1 0 325.411 3.540 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)NCc1ccc(C2CC2)cc1F ZINC001595011651 951247692 /nfs/dbraw/zinc/24/76/92/951247692.db2.gz TXGPJFOXYJLOGN-MRXNPFEDSA-N -1 0 348.418 3.632 20 0 EHADRM O=C([O-])CC[C@@H]1Cc2ccccc2N(CCSc2ccncc2)C1 ZINC001595024998 951337640 /nfs/dbraw/zinc/33/76/40/951337640.db2.gz VZUPYAUQANXMSQ-OAHLLOKOSA-N -1 0 342.464 3.717 20 0 EHADRM O=C([O-])c1ccc(COc2cc(F)c([N+](=O)[O-])cc2Cl)cc1 ZINC000389908190 951364640 /nfs/dbraw/zinc/36/46/40/951364640.db2.gz PSASUHYIRAYLJB-UHFFFAOYSA-N -1 0 325.679 3.665 20 0 EHADRM CCOc1cccc([C@H](C)NC(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC001592862956 951373605 /nfs/dbraw/zinc/37/36/05/951373605.db2.gz KQDFIQHOPCNYCO-LBPRGKRZSA-N -1 0 328.368 3.666 20 0 EHADRM O=C([O-])CCCCCNC(=O)N[C@H](c1cccc(Cl)c1)C(F)F ZINC001595036894 951408318 /nfs/dbraw/zinc/40/83/18/951408318.db2.gz NOBVNMWCTBKMBP-CYBMUJFWSA-N -1 0 348.777 3.590 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000392018411 951411521 /nfs/dbraw/zinc/41/15/21/951411521.db2.gz WACLEKUNZHJEQR-JTQLQIEISA-N -1 0 346.305 3.695 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000392018413 951411793 /nfs/dbraw/zinc/41/17/93/951411793.db2.gz WACLEKUNZHJEQR-SNVBAGLBSA-N -1 0 346.305 3.695 20 0 EHADRM CC(C)(CCc1ccccc1)NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000392776366 951426799 /nfs/dbraw/zinc/42/67/99/951426799.db2.gz NCAQRLOUFCUMOI-UHFFFAOYSA-N -1 0 340.423 3.595 20 0 EHADRM O=C([O-])CCCNC(=O)Nc1ccc(-c2cccc(F)c2)c(F)c1 ZINC001595050264 951467613 /nfs/dbraw/zinc/46/76/13/951467613.db2.gz NQIHXRASQMSSAL-UHFFFAOYSA-N -1 0 334.322 3.618 20 0 EHADRM O=C([O-])CCNC1(c2noc(C3CCCCC3)n2)CCCCCC1 ZINC001595061587 951518287 /nfs/dbraw/zinc/51/82/87/951518287.db2.gz ONFAQDPUIUIRDW-UHFFFAOYSA-N -1 0 335.448 3.731 20 0 EHADRM Cc1cc(NC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)c(Cl)cc1F ZINC000397110037 951527136 /nfs/dbraw/zinc/52/71/36/951527136.db2.gz QFLXJIAFTPFKAZ-VHSXEESVSA-N -1 0 328.771 3.505 20 0 EHADRM O=C([O-])CCSc1nnc(-c2ccccc2)cc1C(F)(F)F ZINC001595063974 951530836 /nfs/dbraw/zinc/53/08/36/951530836.db2.gz NYQIUVUGTGHXAK-UHFFFAOYSA-N -1 0 328.315 3.729 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N[C@H]2CCCc3c(F)cccc32)c1 ZINC001595132105 952039839 /nfs/dbraw/zinc/03/98/39/952039839.db2.gz HAYQNFSMMDKHCV-KRWDZBQOSA-N -1 0 342.370 3.652 20 0 EHADRM O=C([O-])[C@@H](NC(=O)C1(Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC001595160999 952194555 /nfs/dbraw/zinc/19/45/55/952194555.db2.gz CXXUGHPSCFYOEH-INIZCTEOSA-N -1 0 343.810 3.605 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)N(Cc1ccccc1)C1CC1 ZINC000383539636 971875216 /nfs/dbraw/zinc/87/52/16/971875216.db2.gz DFGZQDNGEYJLDR-UHFFFAOYSA-N -1 0 328.343 3.720 20 0 EHADRM CC(C)(CCNC(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1)C(=O)[O-] ZINC001602940577 971907705 /nfs/dbraw/zinc/90/77/05/971907705.db2.gz FHCGQLVNFRPRQI-IRXDYDNUSA-N -1 0 346.471 3.588 20 0 EHADRM O=C([O-])C1(CNC(=O)N[C@H]2CCC[C@@H](c3ccccc3)CC2)CCC1 ZINC001594742225 953366617 /nfs/dbraw/zinc/36/66/17/953366617.db2.gz UUXUDUUJFAUIJL-SJORKVTESA-N -1 0 344.455 3.657 20 0 EHADRM CCSCc1ccccc1C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001593597306 953380253 /nfs/dbraw/zinc/38/02/53/953380253.db2.gz IIPVPRPBAHKISP-LJQANCHMSA-N -1 0 343.448 3.670 20 0 EHADRM O=C([O-])c1cccc(NC(=O)NCC2(c3ccc(F)cc3F)CC2)c1 ZINC001594746305 953390064 /nfs/dbraw/zinc/39/00/64/953390064.db2.gz RVWGSGSIMCKYOC-UHFFFAOYSA-N -1 0 346.333 3.516 20 0 EHADRM CC(C)(CCNC(=O)N(Cc1ccc(Cl)cc1)C1CC1)C(=O)[O-] ZINC000424401048 953465087 /nfs/dbraw/zinc/46/50/87/953465087.db2.gz XPPWSSRFNNCANC-UHFFFAOYSA-N -1 0 338.835 3.515 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCCCC[C@H]1c1ccco1)C(=O)[O-] ZINC000424426544 953481623 /nfs/dbraw/zinc/48/16/23/953481623.db2.gz TUCQISRCBJIULW-CABCVRRESA-N -1 0 336.432 3.653 20 0 EHADRM CN(CCC(=O)[O-])C(=O)c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000431660260 953502823 /nfs/dbraw/zinc/50/28/23/953502823.db2.gz MRWOUTPVLIQIIC-UHFFFAOYSA-N -1 0 333.771 3.679 20 0 EHADRM Cc1ccc(C(=O)N(C)CCC(=O)[O-])c(Sc2ccccc2)c1 ZINC000431637120 953502886 /nfs/dbraw/zinc/50/28/86/953502886.db2.gz ANIDQGSBNZWXDC-UHFFFAOYSA-N -1 0 329.421 3.693 20 0 EHADRM CC[C@H](NC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1)c1cc(C)ccc1C ZINC000529227610 953557538 /nfs/dbraw/zinc/55/75/38/953557538.db2.gz UBFIKSSHHRHURQ-LXZKKBNFSA-N -1 0 332.444 3.507 20 0 EHADRM Cc1ccccc1-c1nsc(N2CCC[C@H](CCC(=O)[O-])C2)n1 ZINC000530251212 953560156 /nfs/dbraw/zinc/56/01/56/953560156.db2.gz HAHHOEOMYYUGAN-CYBMUJFWSA-N -1 0 331.441 3.595 20 0 EHADRM O=C([O-])C1(CNC(=O)c2ccc(-c3ccccc3Cl)o2)CCC1 ZINC000532008488 953561188 /nfs/dbraw/zinc/56/11/88/953561188.db2.gz CGPVLLFNUKEMRK-UHFFFAOYSA-N -1 0 333.771 3.585 20 0 EHADRM CCc1c(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)cnn1C(CC)CC ZINC001593627297 953561298 /nfs/dbraw/zinc/56/12/98/953561298.db2.gz KEMYOXQWRPGDLX-SFHVURJKSA-N -1 0 333.432 3.556 20 0 EHADRM CCC(CC)(CNC(=O)C1(c2ccccc2F)CCCC1)C(=O)[O-] ZINC000538469708 953572490 /nfs/dbraw/zinc/57/24/90/953572490.db2.gz VSKIVXSRVGCJJX-UHFFFAOYSA-N -1 0 335.419 3.645 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCCCOc2ccc3ccccc3c2)cc1 ZINC000540673855 953574158 /nfs/dbraw/zinc/57/41/58/953574158.db2.gz MQDGTZGFJHIMLB-UHFFFAOYSA-N -1 0 349.386 3.737 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)/C(=C\c1ccccc1)C(F)(F)F ZINC001594774377 953582691 /nfs/dbraw/zinc/58/26/91/953582691.db2.gz UBIJAVNYQPJZBP-XNTDXEJSSA-N -1 0 349.308 3.647 20 0 EHADRM CC(C)C[C@@H](NC(=O)Nc1ccc(OC2CCCC2)cc1)C(=O)[O-] ZINC000557775388 953586234 /nfs/dbraw/zinc/58/62/34/953586234.db2.gz RVHNEGWPLXFTJA-MRXNPFEDSA-N -1 0 334.416 3.629 20 0 EHADRM CC(C)c1cc(C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c2ccccc2n1 ZINC000563145385 953596649 /nfs/dbraw/zinc/59/66/49/953596649.db2.gz WWWPUOGSCFWYHA-BBRMVZONSA-N -1 0 340.423 3.541 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)C[C@H]1C(=O)[O-] ZINC000563144738 953596677 /nfs/dbraw/zinc/59/66/77/953596677.db2.gz YKOUVBBGCTVZHZ-WMLDXEAASA-N -1 0 339.391 3.662 20 0 EHADRM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC001589291558 953605085 /nfs/dbraw/zinc/60/50/85/953605085.db2.gz LGZYXVWFNQSGTB-ABAIWWIYSA-N -1 0 343.358 3.534 20 0 EHADRM CCc1ccc(CN(CC(C)C)C(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC001593637702 953621281 /nfs/dbraw/zinc/62/12/81/953621281.db2.gz BPCSIRXNSAZHJI-UHFFFAOYSA-N -1 0 340.423 3.641 20 0 EHADRM CCc1ccc(CN(C(=O)NC[C@H](CC(C)C)C(=O)[O-])C2CC2)cc1 ZINC001593637717 953621318 /nfs/dbraw/zinc/62/13/18/953621318.db2.gz DTTYAHUSPSKSGW-KRWDZBQOSA-N -1 0 346.471 3.670 20 0 EHADRM CCc1ccc([C@@H](C)NC(=O)NCc2ccccc2C(=O)[O-])cc1 ZINC001593640619 953642563 /nfs/dbraw/zinc/64/25/63/953642563.db2.gz GVGYEYJQJVLQIU-CYBMUJFWSA-N -1 0 326.396 3.508 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)C[C@@H]1C(=O)[O-] ZINC000572523720 953669489 /nfs/dbraw/zinc/66/94/89/953669489.db2.gz KYJHSRVEDPGXEZ-UFBFGSQYSA-N -1 0 331.199 3.568 20 0 EHADRM C[C@@H]1CC/C(=C\C(=O)Nc2scc(-c3cnn(C)c3)c2C(=O)[O-])C1 ZINC001589299417 953681188 /nfs/dbraw/zinc/68/11/88/953681188.db2.gz KGGUJMMNMCBDDL-VUUNSECVSA-N -1 0 345.424 3.532 20 0 EHADRM Cc1ccc2oc(C(=O)NC[C@@](C)(C(=O)[O-])c3ccccc3)cc2c1 ZINC000577895271 953698215 /nfs/dbraw/zinc/69/82/15/953698215.db2.gz BCRJOHPZYVMXRU-HXUWFJFHSA-N -1 0 337.375 3.514 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc3cccc(Cl)c3s2)C[C@H]1C(=O)[O-] ZINC000579240069 953707069 /nfs/dbraw/zinc/70/70/69/953707069.db2.gz ZFHTZOIGNLPACW-GXSJLCMTSA-N -1 0 337.828 3.738 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc3cccc(Cl)c3s2)C[C@@H]1C(=O)[O-] ZINC000579240072 953707212 /nfs/dbraw/zinc/70/72/12/953707212.db2.gz ZFHTZOIGNLPACW-ONGXEEELSA-N -1 0 337.828 3.738 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccc(OC3CCCC3)cc2)C[C@@H]1C(=O)[O-] ZINC000583752983 953730832 /nfs/dbraw/zinc/73/08/32/953730832.db2.gz JEFHKDPIEUZFQL-GUYCJALGSA-N -1 0 346.427 3.583 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000619963938 953790397 /nfs/dbraw/zinc/79/03/97/953790397.db2.gz FFXGNEQQJLPERH-SNVBAGLBSA-N -1 0 342.233 3.517 20 0 EHADRM CC(C)CC[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)C(C)(C)C ZINC000626753592 953807573 /nfs/dbraw/zinc/80/75/73/953807573.db2.gz PMXPTPMDKNOUSD-ZNMIVQPWSA-N -1 0 326.481 3.590 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)Nc2cccc3cccnc32)c2ccccc21 ZINC001594811451 953829571 /nfs/dbraw/zinc/82/95/71/953829571.db2.gz SZRTUHNKSBXHGQ-NVXWUHKLSA-N -1 0 347.374 3.670 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(SC(F)(F)F)c2)cn1 ZINC001594811477 953829928 /nfs/dbraw/zinc/82/99/28/953829928.db2.gz VIURTHUJRIEUFT-UHFFFAOYSA-N -1 0 342.298 3.644 20 0 EHADRM Cc1ccc2occ(CC(=O)NC[C@H](CC(=O)[O-])CC(C)C)c2c1 ZINC000630202035 953846687 /nfs/dbraw/zinc/84/66/87/953846687.db2.gz UPCGSSDCMUNSGD-AWEZNQCLSA-N -1 0 331.412 3.537 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])nc1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000630293829 953850936 /nfs/dbraw/zinc/85/09/36/953850936.db2.gz BJBSZJYCMXTSAY-AEFFLSMTSA-N -1 0 338.407 3.578 20 0 EHADRM Cc1cc(NC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)ccc1C(F)(F)F ZINC000630562318 953860889 /nfs/dbraw/zinc/86/08/89/953860889.db2.gz POTFLWNIEQUSPA-PWSUYJOCSA-N -1 0 344.333 3.588 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(-c3ccco3)cc2F)CC[C@@H]1C(=O)[O-] ZINC000630568222 953865513 /nfs/dbraw/zinc/86/55/13/953865513.db2.gz ORGFITDBWMMKJD-YPMHNXCESA-N -1 0 346.358 3.660 20 0 EHADRM C[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001589327884 953926524 /nfs/dbraw/zinc/92/65/24/953926524.db2.gz DCHQIUBCUQMOSD-PELKAZGASA-N -1 0 349.736 3.684 20 0 EHADRM CSc1ccc(CCCC(=O)NC[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000647743543 953972573 /nfs/dbraw/zinc/97/25/73/953972573.db2.gz MGAXNLPREIUTJL-HNNXBMFYSA-N -1 0 337.485 3.594 20 0 EHADRM C[C@H]1CCN(C(=O)C(C)(C)CCCc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000647755515 953975536 /nfs/dbraw/zinc/97/55/36/953975536.db2.gz NJWKAMCUAFAMDK-RDJZCZTQSA-N -1 0 331.456 3.605 20 0 EHADRM CCOc1ccccc1-c1cccc(C(=O)NC[C@@H](CC)C(=O)[O-])c1 ZINC000649265186 953993910 /nfs/dbraw/zinc/99/39/10/953993910.db2.gz UTYHQXWYNQLRRH-CQSZACIVSA-N -1 0 341.407 3.593 20 0 EHADRM O=C([O-])[C@H](C(=O)NC[C@H]1CCC[C@H]1c1ccccc1)C1CCCC1 ZINC001594834039 954012685 /nfs/dbraw/zinc/01/26/85/954012685.db2.gz VDTNOXQZMNDWSL-SQNIBIBYSA-N -1 0 329.440 3.578 20 0 EHADRM C[C@H]1CCN(C(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)C[C@H]1C(=O)[O-] ZINC001589343555 954032917 /nfs/dbraw/zinc/03/29/17/954032917.db2.gz HUYICUXUTZFQME-DZOHQFGASA-N -1 0 329.440 3.530 20 0 EHADRM CC1CCN(c2cccc(NC(=O)[C@]3(C(=O)[O-])CC=CCC3)c2)CC1 ZINC000653304809 954117110 /nfs/dbraw/zinc/11/71/10/954117110.db2.gz XSQKAJWRRZIUPA-FQEVSTJZSA-N -1 0 342.439 3.673 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000653317768 954141110 /nfs/dbraw/zinc/14/11/10/954141110.db2.gz HRFMNPQQTOWFOQ-RDDDGLTNSA-N -1 0 341.194 3.552 20 0 EHADRM O=C([O-])C1(C(=O)N2CCC(Cc3ccc(Cl)cc3)CC2)CC=CC1 ZINC001594846339 954151277 /nfs/dbraw/zinc/15/12/77/954151277.db2.gz WVQBVBDZEBRAEN-UHFFFAOYSA-N -1 0 347.842 3.542 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000653328873 954158656 /nfs/dbraw/zinc/15/86/56/954158656.db2.gz OICFQNDTDQXQKH-FXUDXRNXSA-N -1 0 341.432 3.589 20 0 EHADRM Cc1ccccc1C(C)(C)C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000653335541 954168394 /nfs/dbraw/zinc/16/83/94/954168394.db2.gz RHZADSSOJOPKFC-WMZOPIPTSA-N -1 0 337.419 3.702 20 0 EHADRM C[C@H]1CN(C(=O)[C@@H](C(=O)[O-])C2CCCC2)CCc2ccc(Cl)cc21 ZINC001589366005 954194625 /nfs/dbraw/zinc/19/46/25/954194625.db2.gz DZUXKFVMTWXXSS-SJCJKPOMSA-N -1 0 349.858 3.719 20 0 EHADRM CC(C)c1cc(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)no1 ZINC000653556381 954195197 /nfs/dbraw/zinc/19/51/97/954195197.db2.gz GNMWGOUOEDTFTA-UHFFFAOYSA-N -1 0 342.395 3.516 20 0 EHADRM O=C([O-])CCCCC(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000655554196 954200121 /nfs/dbraw/zinc/20/01/21/954200121.db2.gz AEBHRTZMFQXZHP-GOSISDBHSA-N -1 0 346.814 3.586 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)CCCc2ccc(F)cc2)c2ccccc21 ZINC000655557180 954203278 /nfs/dbraw/zinc/20/32/78/954203278.db2.gz VTVSDEHQPZPQBF-QZTJIDSGSA-N -1 0 341.382 3.578 20 0 EHADRM CC(C)[C@@H](CNC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000655570304 954208661 /nfs/dbraw/zinc/20/86/61/954208661.db2.gz ZTYSQVGABSRJTM-SMDDNHRTSA-N -1 0 345.361 3.672 20 0 EHADRM C[C@H](NC(=O)N1CC(C)(C)c2ccccc21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655904956 954287410 /nfs/dbraw/zinc/28/74/10/954287410.db2.gz PBGJAFWCCQCNDY-AEGPPILISA-N -1 0 344.455 3.629 20 0 EHADRM Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])cc1C ZINC000659128991 954309728 /nfs/dbraw/zinc/30/97/28/954309728.db2.gz YSBVZPWKCSMZSV-ZCNNSNEGSA-N -1 0 349.430 3.618 20 0 EHADRM O=C([O-])[C@@]1(C(=O)N[C@@H]2C[C@H]2c2cccc3ccccc32)CC=CCC1 ZINC001594868886 954328537 /nfs/dbraw/zinc/32/85/37/954328537.db2.gz PHGFWYVMXYBKNF-UEXGIBASSA-N -1 0 335.403 3.623 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cc(F)c(O)cc2Cl)CCCCCC1 ZINC001594869232 954333890 /nfs/dbraw/zinc/33/38/90/954333890.db2.gz KFEDUZUPKYSWJQ-UHFFFAOYSA-N -1 0 329.755 3.548 20 0 EHADRM CCN(C(=O)C[C@H](C)c1ccccc1C(F)(F)F)[C@H](C)C(=O)[O-] ZINC000659769692 954367816 /nfs/dbraw/zinc/36/78/16/954367816.db2.gz AEQLFMZHRXMLEF-WDEREUQCSA-N -1 0 331.334 3.521 20 0 EHADRM O=C([O-])[C@]1(C(=O)OCc2cccc(C(F)(F)F)c2)CC=CCC1 ZINC001594877319 954387867 /nfs/dbraw/zinc/38/78/67/954387867.db2.gz WELOJSKQHJVTHN-HNNXBMFYSA-N -1 0 328.286 3.560 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)NCC3(C(=O)[O-])CCC3)ccc2o1 ZINC000663343688 954536807 /nfs/dbraw/zinc/53/68/07/954536807.db2.gz BCQGYFSXGZXQHC-UHFFFAOYSA-N -1 0 345.399 3.502 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)N(CC2CC2)C2CCCCC2)c1 ZINC000666566468 954562290 /nfs/dbraw/zinc/56/22/90/954562290.db2.gz PBMXOISNYYVUEJ-UHFFFAOYSA-N -1 0 330.428 3.639 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H]2C2CCCC2)c2ccccc21 ZINC001594899874 954615754 /nfs/dbraw/zinc/61/57/54/954615754.db2.gz HNECATZIRDXMMC-KZNAEPCWSA-N -1 0 342.439 3.664 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl ZINC001589433282 954664383 /nfs/dbraw/zinc/66/43/83/954664383.db2.gz DRIVCXLTNPNDEE-RPTYSRGTSA-N -1 0 349.736 3.694 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)C(=O)c1sc2cccc(F)c2c1Cl ZINC001589441189 954720250 /nfs/dbraw/zinc/72/02/50/954720250.db2.gz XQNJDTMBUISREX-MRVPVSSYSA-N -1 0 329.780 3.629 20 0 EHADRM CC[C@H](C(=O)OCc1ccc(C(=O)[O-])cc1)c1ccc(OC)cc1 ZINC001589447751 954779553 /nfs/dbraw/zinc/77/95/53/954779553.db2.gz OIXNAZGNDKEQFW-KRWDZBQOSA-N -1 0 328.364 3.630 20 0 EHADRM CCC(C)(C)c1ccc(CNC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1 ZINC001589452572 954813504 /nfs/dbraw/zinc/81/35/04/954813504.db2.gz XCEXYTGFSSSUBE-ZBFHGGJFSA-N -1 0 346.471 3.626 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC001589463492 954873457 /nfs/dbraw/zinc/87/34/57/954873457.db2.gz DVQTWFMOAAJLAZ-ALZIZJOTSA-N -1 0 347.455 3.740 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cnc(Cl)c(Cl)c2)c(F)cc1F ZINC000386401531 972051119 /nfs/dbraw/zinc/05/11/19/972051119.db2.gz VXKOTTZBAPSTRZ-UHFFFAOYSA-N -1 0 347.104 3.617 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N1CCC(=Cc2cccc(OC)c2)CC1 ZINC001589470970 954924731 /nfs/dbraw/zinc/92/47/31/954924731.db2.gz ZYEWZYQPQSEUKV-UHFFFAOYSA-N -1 0 345.439 3.592 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)NCc1ccccc1OCCC(C)C ZINC001589476122 954960308 /nfs/dbraw/zinc/96/03/08/954960308.db2.gz YKPIIQFLDTZTMG-UHFFFAOYSA-N -1 0 335.444 3.619 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)N2CC3(CCCC3)[C@@H]2c2ccco2)co1 ZINC001594964037 955033529 /nfs/dbraw/zinc/03/35/29/955033529.db2.gz BVEVRJDHUYBINA-RTRPANQVSA-N -1 0 341.363 3.728 20 0 EHADRM CC[C@H](CCc1ccccc1)NC(=O)N1CCC[C@](CC)(C(=O)[O-])C1 ZINC001589515426 955067126 /nfs/dbraw/zinc/06/71/26/955067126.db2.gz ZXAHKDOYCLLBIN-XLIONFOSSA-N -1 0 346.471 3.684 20 0 EHADRM CC[C@H](CNC(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC001589524815 955101063 /nfs/dbraw/zinc/10/10/63/955101063.db2.gz VHONURQGUUNRAR-JVBZPZKUSA-N -1 0 349.736 3.599 20 0 EHADRM C[C@H](NC(=O)CCCC(=O)[O-])c1cccc(OCc2ccccc2)c1 ZINC000765981797 955314962 /nfs/dbraw/zinc/31/49/62/955314962.db2.gz KHHPFSOQKGJOBU-HNNXBMFYSA-N -1 0 341.407 3.698 20 0 EHADRM CC(C)COC[C@H](NC(=O)Nc1cccc(C(=O)[O-])c1)c1ccco1 ZINC001603030746 972091806 /nfs/dbraw/zinc/09/18/06/972091806.db2.gz NSZYEFNBSSZVLZ-HNNXBMFYSA-N -1 0 346.383 3.513 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)CCc1ccc(Cl)cc1Cl ZINC000387013190 972097586 /nfs/dbraw/zinc/09/75/86/972097586.db2.gz BKGMSLSPRGQNDY-CYBMUJFWSA-N -1 0 344.238 3.782 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)Nc1ccccc1CC(=O)[O-])C(F)(F)F ZINC000819908650 955462453 /nfs/dbraw/zinc/46/24/53/955462453.db2.gz LHXRHVYMKBTFNG-GFCCVEGCSA-N -1 0 346.349 3.802 20 0 EHADRM CC(C)Cc1ccc(CCCC(=O)N([C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC001603054465 972121316 /nfs/dbraw/zinc/12/13/16/972121316.db2.gz VJNSTKNNOPTJEX-HNNXBMFYSA-N -1 0 331.456 3.672 20 0 EHADRM C[C@@H](NC(=O)/C(F)=C\C1CCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848452247 955738949 /nfs/dbraw/zinc/73/89/49/955738949.db2.gz PFLUNGUBZNJYGT-QLELUZBQSA-N -1 0 325.424 3.672 20 0 EHADRM O=C([O-])C1CCC(NC(=O)c2cccc(SC(F)(F)F)c2)CC1 ZINC000851600107 955785221 /nfs/dbraw/zinc/78/52/21/955785221.db2.gz RWYTVZGSCBAUDW-UHFFFAOYSA-N -1 0 347.358 3.672 20 0 EHADRM CC(C)Oc1cccc([C@@H](C)NC(=O)/C=C\c2ccc(C(=O)[O-])o2)c1 ZINC000864104060 955934480 /nfs/dbraw/zinc/93/44/80/955934480.db2.gz XCEHGKRHTYIOIS-CHOZFAJLSA-N -1 0 343.379 3.656 20 0 EHADRM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)/C=C\c2ccc(C(=O)[O-])o2)C1 ZINC000864137911 955960259 /nfs/dbraw/zinc/96/02/59/955960259.db2.gz OLMHOISVQARIJQ-KKPXWRBNSA-N -1 0 343.354 3.740 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cccc(SC(F)F)c2)CC[C@H]1C(=O)[O-] ZINC000864592595 955997284 /nfs/dbraw/zinc/99/72/84/955997284.db2.gz YOERWPCDLZSQGQ-BXKDBHETSA-N -1 0 344.383 3.576 20 0 EHADRM C[C@@H](NC(=O)N1CC(C)(C)[C@@H]1c1ccco1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589101512 956000127 /nfs/dbraw/zinc/00/01/27/956000127.db2.gz KSRXZIFPXHMYEO-COMQUAJESA-N -1 0 348.443 3.508 20 0 EHADRM CC(C)Oc1cc(F)ccc1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001603080490 972151718 /nfs/dbraw/zinc/15/17/18/972151718.db2.gz RZHSYUMEFIWIDR-UHFFFAOYSA-N -1 0 346.358 3.633 20 0 EHADRM C[C@](NC(=O)[C@H]1CC[C@H](C2CCC2)CC1)(C(=O)[O-])c1ccccc1 ZINC001589114541 956083755 /nfs/dbraw/zinc/08/37/55/956083755.db2.gz SBQOEUCPQWMRQC-JXXFODFXSA-N -1 0 329.440 3.709 20 0 EHADRM C[C@H](NC(=O)c1cccc(OC(C)(C)C)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589116945 956098873 /nfs/dbraw/zinc/09/88/73/956098873.db2.gz QNIPJPOTASJSDU-VBNZEHGJSA-N -1 0 347.455 3.729 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(F)(F)F)s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589117437 956101617 /nfs/dbraw/zinc/10/16/17/956101617.db2.gz DDYHGXLBJUWJLH-HRDYMLBCSA-N -1 0 349.374 3.632 20 0 EHADRM C[C@](NC(=O)c1ccc(SC2CC2)cc1)(C(=O)[O-])c1ccccc1 ZINC001589118065 956107214 /nfs/dbraw/zinc/10/72/14/956107214.db2.gz WBCKLBSCCYQTFX-LJQANCHMSA-N -1 0 341.432 3.671 20 0 EHADRM Cc1ccccc1[C@H](C)N(C)C(=O)NCc1ccccc1C(=O)[O-] ZINC000874408186 956178549 /nfs/dbraw/zinc/17/85/49/956178549.db2.gz BQWGOYRUZLJUHV-AWEZNQCLSA-N -1 0 326.396 3.596 20 0 EHADRM CCN(C(=O)NCc1ccccc1C(=O)[O-])[C@@H](C)Cc1ccsc1 ZINC000874411735 956190080 /nfs/dbraw/zinc/19/00/80/956190080.db2.gz IANUESROBKAWDF-ZDUSSCGKSA-N -1 0 346.452 3.609 20 0 EHADRM C[C@@H](N[C@@H](Cc1ccccc1)C(=O)[O-])c1ncc(-c2ccccc2)o1 ZINC001589132388 956213762 /nfs/dbraw/zinc/21/37/62/956213762.db2.gz VDKLWTGEKOXMFP-PBHICJAKSA-N -1 0 336.391 3.688 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Nc1cccc(-c2ncco2)c1 ZINC000899312105 956282560 /nfs/dbraw/zinc/28/25/60/956282560.db2.gz RZWWKKFGGXECOL-OAHLLOKOSA-N -1 0 343.383 3.593 20 0 EHADRM O=C([O-])C1CCC(NC(=O)CCCc2ccc(C3CC3)cc2)CC1 ZINC000901482249 956323461 /nfs/dbraw/zinc/32/34/61/956323461.db2.gz KMOSFFFYXIZJGP-UHFFFAOYSA-N -1 0 329.440 3.646 20 0 EHADRM COc1ccc([C@@H](NC(=O)c2coc(/C=C/C(=O)[O-])c2)C(C)C)cc1 ZINC000901584633 956354084 /nfs/dbraw/zinc/35/40/84/956354084.db2.gz NLNWMNBUKFLWPY-BLGFXRMMSA-N -1 0 343.379 3.513 20 0 EHADRM CC(C)c1ccc(C[C@@H]2CCN(C(=O)[C@@]3(C(=O)[O-])CC3(C)C)C2)cc1 ZINC001603100385 972174706 /nfs/dbraw/zinc/17/47/06/972174706.db2.gz CUSYOWCRKGLBLB-HRAATJIYSA-N -1 0 343.467 3.702 20 0 EHADRM C[C@H](OC(=O)[C@]1(C(=O)[O-])C[C@H]1C)c1ccc(F)c(C(F)(F)F)c1 ZINC001589159177 956392439 /nfs/dbraw/zinc/39/24/39/956392439.db2.gz FPGLFVHUKJMCGE-CYVIZDSUSA-N -1 0 334.265 3.560 20 0 EHADRM Cc1oc(-c2ccccc2)cc1C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000901655061 956406344 /nfs/dbraw/zinc/40/63/44/956406344.db2.gz KTCYANSRJUYCKD-WFASDCNBSA-N -1 0 327.380 3.580 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)c1ccc(C(=O)[O-])cn1)CCC2 ZINC001603106977 972182057 /nfs/dbraw/zinc/18/20/57/972182057.db2.gz MDVFSMOXBDFECW-QGZVFWFLSA-N -1 0 338.407 3.711 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000901746269 956450022 /nfs/dbraw/zinc/45/00/22/956450022.db2.gz OCDONFAEMCQKIE-IKGGRYGDSA-N -1 0 347.455 3.550 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)N[C@@H](c2ccccc2)C2CCC2)co1 ZINC000901769494 956459171 /nfs/dbraw/zinc/45/91/71/956459171.db2.gz KSHQIGWVIBVTCW-BBVFFXRHSA-N -1 0 325.364 3.649 20 0 EHADRM CC(C)Oc1ccccc1[C@@H](C)NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC000901834807 956495998 /nfs/dbraw/zinc/49/59/98/956495998.db2.gz YLXTZUCAZHUZRC-LJTDUEICSA-N -1 0 343.379 3.656 20 0 EHADRM CSc1ccc(-c2csc(NC(=O)[C@@H]3CC[C@H]3C(=O)[O-])n2)cc1 ZINC000901910564 956535531 /nfs/dbraw/zinc/53/55/31/956535531.db2.gz GBWRVEDJKWMLRY-VXGBXAGGSA-N -1 0 348.449 3.581 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCC[C@H](c3ccccc3)CC2)C1 ZINC001589191770 956599077 /nfs/dbraw/zinc/59/90/77/956599077.db2.gz ZEJOWFNZVSVEAM-QKLQHJQFSA-N -1 0 344.455 3.609 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)NC[C@@H]2CCC[C@H]2c2ccccc2)o1 ZINC001594669631 956606949 /nfs/dbraw/zinc/60/69/49/956606949.db2.gz FBMBUDLJQBQDPE-NDPDXHDDSA-N -1 0 339.391 3.691 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)o1 ZINC001594670232 956613804 /nfs/dbraw/zinc/61/38/04/956613804.db2.gz PEGUJOWUJRZSPH-ZEIXHXPOSA-N -1 0 339.391 3.519 20 0 EHADRM O=C(/C=C/c1ccc(C(=O)[O-])o1)NCCc1cc2ccccc2s1 ZINC001594673000 956632862 /nfs/dbraw/zinc/63/28/62/956632862.db2.gz UJEMKXZJZDAJSD-SOFGYWHQSA-N -1 0 341.388 3.565 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)Nc2ccccc2OC(F)(F)F)o1 ZINC001594673788 956640515 /nfs/dbraw/zinc/64/05/15/956640515.db2.gz KJGKQNDPONFYEW-SOFGYWHQSA-N -1 0 341.241 3.528 20 0 EHADRM O=C(/C=C/c1ccc(C(=O)[O-])o1)Oc1ccc(-c2cscn2)cc1 ZINC001594675046 956651618 /nfs/dbraw/zinc/65/16/18/956651618.db2.gz VUSLPHCPAXLCPD-SOFGYWHQSA-N -1 0 341.344 3.720 20 0 EHADRM O=C([O-])c1cncc(NC(=O)/C=C\c2ccsc2C(F)(F)F)c1 ZINC001594675493 956656892 /nfs/dbraw/zinc/65/68/92/956656892.db2.gz WWTDORLPEKWILW-UPHRSURJSA-N -1 0 342.298 3.512 20 0 EHADRM Cc1csc(C(=O)N2C[C@H](C(=O)[O-])Cc3ccccc32)c1Cl ZINC000389114831 972207711 /nfs/dbraw/zinc/20/77/11/972207711.db2.gz NOXRJTMFJTUGJO-LLVKDONJSA-N -1 0 335.812 3.614 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC001589217720 956738260 /nfs/dbraw/zinc/73/82/60/956738260.db2.gz LEIMMLFOPSNRDP-ZDUSSCGKSA-N -1 0 333.331 3.738 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001589225291 956788477 /nfs/dbraw/zinc/78/84/77/956788477.db2.gz WMPNWZFXHPIRSO-QBPKDAKJSA-N -1 0 329.440 3.576 20 0 EHADRM C[C@@]1(CC(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)CC1(Cl)Cl ZINC001589239408 956861531 /nfs/dbraw/zinc/86/15/31/956861531.db2.gz IDWPRJJVKQEFSL-XHDPSFHLSA-N -1 0 342.222 3.566 20 0 EHADRM COCCCC[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001593993600 956861777 /nfs/dbraw/zinc/86/17/77/956861777.db2.gz YUADYCUZLAXGRY-GOSISDBHSA-N -1 0 341.407 3.673 20 0 EHADRM Cc1cccc(CSCC(=O)Nc2cccc(C(=O)[O-])c2C)c1 ZINC000008191122 956884219 /nfs/dbraw/zinc/88/42/19/956884219.db2.gz GRYNGIFQEVBFEW-UHFFFAOYSA-N -1 0 329.421 3.874 20 0 EHADRM Cc1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cccc1C(=O)[O-] ZINC000008906776 956888049 /nfs/dbraw/zinc/88/80/49/956888049.db2.gz ADHOAIHJIJMRFT-NSHDSACASA-N -1 0 333.771 3.753 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OCCOc1ccccc1Cl ZINC000011886061 956898148 /nfs/dbraw/zinc/89/81/48/956898148.db2.gz LEHQPEPECRNNBS-VQHVLOKHSA-N -1 0 348.782 3.904 20 0 EHADRM O=C([O-])c1ccc(OCCOc2ccc(Br)cc2)cc1 ZINC000011949584 956899561 /nfs/dbraw/zinc/89/95/61/956899561.db2.gz XEKZNVINBUBIAB-UHFFFAOYSA-N -1 0 337.169 3.605 20 0 EHADRM Cc1ccccc1NC(=O)COc1c(C(=O)[O-])ccc2ccccc21 ZINC000013085960 956938935 /nfs/dbraw/zinc/93/89/35/956938935.db2.gz FPNJYCNMQQRDDA-UHFFFAOYSA-N -1 0 335.359 3.864 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(OC(F)F)c2)cc1 ZINC000013178792 956960537 /nfs/dbraw/zinc/96/05/37/956960537.db2.gz WWEMTTRDXFRLCD-OAHLLOKOSA-N -1 0 349.333 3.542 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1cc(-n2cccc2)ccc1Cl ZINC000907576644 956975987 /nfs/dbraw/zinc/97/59/87/956975987.db2.gz JGTNMTRLENEBNN-UHFFFAOYSA-N -1 0 334.803 3.504 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)C(C)(C)C ZINC000908118346 956982998 /nfs/dbraw/zinc/98/29/98/956982998.db2.gz AQWCQSXEYUJUAP-VMSUTVGLSA-N -1 0 342.395 3.598 20 0 EHADRM CCCCN([C@@H](C)CC)S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000013251053 956992024 /nfs/dbraw/zinc/99/20/24/956992024.db2.gz HHRCVHZGUOKBMT-ZDUSSCGKSA-N -1 0 341.473 3.591 20 0 EHADRM Cc1ccc(Cl)c(OCC(=O)Nc2ccc(C(=O)[O-])cc2C)c1 ZINC000013390772 957045626 /nfs/dbraw/zinc/04/56/26/957045626.db2.gz CXRYKBIZGLMXQV-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM CC1CC(C(=O)N2CCC[C@H](CC(=O)[O-])C2)(c2cccc(Cl)c2)C1 ZINC001589262890 957054753 /nfs/dbraw/zinc/05/47/53/957054753.db2.gz AUFIMDCCRZOWDS-SHYRYGCCSA-N -1 0 349.858 3.721 20 0 EHADRM COc1ccc(C)cc1CC(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000013426065 957066790 /nfs/dbraw/zinc/06/67/90/957066790.db2.gz SPYXXZQMXAZXBI-UHFFFAOYSA-N -1 0 333.771 3.536 20 0 EHADRM CC(F)(F)CCCNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000389703989 972242236 /nfs/dbraw/zinc/24/22/36/972242236.db2.gz VXXOBGXSHIJEMG-UHFFFAOYSA-N -1 0 328.359 3.606 20 0 EHADRM Cc1cc(NC(=O)Cc2c(F)cccc2Cl)sc1C(=O)[O-] ZINC000020425853 957142815 /nfs/dbraw/zinc/14/28/15/957142815.db2.gz HFVKHTDIFHCAHB-UHFFFAOYSA-N -1 0 327.764 3.728 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2cc(OC)ccc2C2CC2)C1 ZINC000926191305 957147155 /nfs/dbraw/zinc/14/71/55/957147155.db2.gz XLISJTQSRVNHJQ-IBGZPJMESA-N -1 0 346.427 3.681 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)Cc1ccc2ccccc2c1 ZINC000021005113 957148800 /nfs/dbraw/zinc/14/88/00/957148800.db2.gz VAEOZBHCHNGFLW-UHFFFAOYSA-N -1 0 349.386 3.793 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)CCc1ccc(Cl)cc1Cl ZINC000037590536 957311381 /nfs/dbraw/zinc/31/13/81/957311381.db2.gz CLJLWCVQPVALON-SNVBAGLBSA-N -1 0 332.227 3.638 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NC[C@@H]1CCCCC1(F)F ZINC000390101435 972265218 /nfs/dbraw/zinc/26/52/18/972265218.db2.gz YSTMMTIXLYREQK-LBPRGKRZSA-N -1 0 326.343 3.640 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(Br)c(F)c2)s1 ZINC000043576137 957435702 /nfs/dbraw/zinc/43/57/02/957435702.db2.gz PPRWFXGDWXCTFO-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)c1sccc1Br ZINC000070165586 957662974 /nfs/dbraw/zinc/66/29/74/957662974.db2.gz IKCRABIIYLGBRC-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM Cc1cc(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)c(C)cc1Cl ZINC001594279093 957729474 /nfs/dbraw/zinc/72/94/74/957729474.db2.gz JKRLTCABEPXZBP-IBGZPJMESA-N -1 0 345.826 3.729 20 0 EHADRM O=C([O-])c1ccc(F)c(CSc2ncccc2Br)c1 ZINC000079450838 957755654 /nfs/dbraw/zinc/75/56/54/957755654.db2.gz VWXFNLNQPAUDBI-UHFFFAOYSA-N -1 0 342.189 3.974 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)NC1(c2c(Cl)cccc2Cl)CCC1 ZINC001574770566 957755591 /nfs/dbraw/zinc/75/55/91/957755591.db2.gz DPYOHUMELYUWRQ-NXEZZACHSA-N -1 0 342.222 3.600 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCc3cccc(F)c3[C@@H]2C)c1 ZINC001594284233 957764041 /nfs/dbraw/zinc/76/40/41/957764041.db2.gz KFHLUTTWXPAOMC-LBPRGKRZSA-N -1 0 327.355 3.592 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)N[C@H]1CCCc2sccc21 ZINC000390679723 972298666 /nfs/dbraw/zinc/29/86/66/972298666.db2.gz VLOXNZQCSZFUPN-AWEZNQCLSA-N -1 0 330.409 3.954 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2c3ccccc3N(C)CC[C@H]2C)c1 ZINC001594287430 957791221 /nfs/dbraw/zinc/79/12/21/957791221.db2.gz WDMORWYIMXDRKD-CQSZACIVSA-N -1 0 338.407 3.568 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CC3(CCCC3)[C@@H]2c2ccco2)cc1 ZINC001574791113 957810364 /nfs/dbraw/zinc/81/03/64/957810364.db2.gz JOXFEIQVSPPITR-INIZCTEOSA-N -1 0 325.364 3.735 20 0 EHADRM Cc1cc(C)c(-c2cc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)n[nH]2)cc1C ZINC001594293812 957846181 /nfs/dbraw/zinc/84/61/81/957846181.db2.gz SBABGGYGHBVYRI-INIZCTEOSA-N -1 0 343.427 3.687 20 0 EHADRM O=C([O-])c1cccc(CNCC(F)(F)c2ccc(F)cc2F)c1 ZINC001574809799 957872456 /nfs/dbraw/zinc/87/24/56/957872456.db2.gz USAOTSASBVLVCN-UHFFFAOYSA-N -1 0 327.277 3.545 20 0 EHADRM O=C([O-])c1cccnc1NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC001574814848 957880762 /nfs/dbraw/zinc/88/07/62/957880762.db2.gz ARWSOKRXUYPBRF-DLBZAZTESA-N -1 0 332.359 3.675 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)c1cc(F)ccc1-c1ccoc1 ZINC001574814927 957882925 /nfs/dbraw/zinc/88/29/25/957882925.db2.gz GINLMUVQKDTWST-UHFFFAOYSA-N -1 0 339.322 3.714 20 0 EHADRM Cc1cc(C)cc([C@@H](C)NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC001340476741 957920922 /nfs/dbraw/zinc/92/09/22/957920922.db2.gz KXCYJGYBXREEII-CVEARBPZSA-N -1 0 332.444 3.651 20 0 EHADRM COc1c(OC(=O)Cc2ccccc2C(=O)[O-])ccc2ccccc21 ZINC001594047553 957945981 /nfs/dbraw/zinc/94/59/81/957945981.db2.gz AGEHXGYKFPKFGQ-UHFFFAOYSA-N -1 0 336.343 3.695 20 0 EHADRM Cc1cc(F)cc2c1N(CCOc1ccccc1C(=O)[O-])CCC2 ZINC001594310847 958016445 /nfs/dbraw/zinc/01/64/45/958016445.db2.gz HSJCAWWDGXLFEL-UHFFFAOYSA-N -1 0 329.371 3.664 20 0 EHADRM O=C([O-])[C@@]1(C(F)(F)F)CCN(Cc2cc(Cl)ccc2Cl)C1 ZINC000087761620 958032131 /nfs/dbraw/zinc/03/21/31/958032131.db2.gz LVWFSMHVZLKSKZ-GFCCVEGCSA-N -1 0 342.144 3.832 20 0 EHADRM Cc1cc(N[C@H](CCC(C)(C)C)C(=O)[O-])nc(-c2ccccn2)n1 ZINC001594325698 958169612 /nfs/dbraw/zinc/16/96/12/958169612.db2.gz AHHJXONDRCYHDB-CQSZACIVSA-N -1 0 328.416 3.538 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccnc3cc(Cl)ccc32)C1 ZINC001355041805 958171293 /nfs/dbraw/zinc/17/12/93/958171293.db2.gz DRGWMPBPHUNOSW-GOSISDBHSA-N -1 0 346.814 3.605 20 0 EHADRM CC(C)[C@H](CNC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC001356608567 958178125 /nfs/dbraw/zinc/17/81/25/958178125.db2.gz PJQJXGZFWIDHJT-AEFFLSMTSA-N -1 0 346.471 3.713 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)N[C@H](CC(C)C)C(=O)[O-])ccc1C(C)C ZINC001594328690 958198809 /nfs/dbraw/zinc/19/88/09/958198809.db2.gz XHRUMSPTRIIDFB-RHSMWYFYSA-N -1 0 335.444 3.501 20 0 EHADRM COCC[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC001517465216 958206963 /nfs/dbraw/zinc/20/69/63/958206963.db2.gz CHWCFHRBDNVDKQ-CQSZACIVSA-N -1 0 339.391 3.555 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001594331270 958224236 /nfs/dbraw/zinc/22/42/36/958224236.db2.gz VVAZCIAGBQXTGM-IFXJQAMLSA-N -1 0 331.412 3.529 20 0 EHADRM Cc1c2cc(C)c(C)cc2sc1C(=O)Nc1c[nH]nc1C(=O)[O-] ZINC001594332672 958242282 /nfs/dbraw/zinc/24/22/82/958242282.db2.gz BCHSIRQZJAULCG-UHFFFAOYSA-N -1 0 329.381 3.500 20 0 EHADRM Cc1ccc(C(C)(C)CN(C)C(=O)[C@H](C(=O)[O-])C2CCCC2)cc1 ZINC001594350021 958342781 /nfs/dbraw/zinc/34/27/81/958342781.db2.gz UJFPQRBEUGYXIC-QGZVFWFLSA-N -1 0 331.456 3.622 20 0 EHADRM COc1ccc(N(C(=O)c2ccc(C(=O)[O-])cc2)C(C)C)cc1F ZINC001594099730 958427711 /nfs/dbraw/zinc/42/77/11/958427711.db2.gz XAGPVEGKKHULLU-UHFFFAOYSA-N -1 0 331.343 3.588 20 0 EHADRM COc1ccc(S[C@H](C)C(=O)OCc2ccc(C(=O)[O-])cc2)cc1 ZINC001594111883 958514618 /nfs/dbraw/zinc/51/46/18/958514618.db2.gz GXWQBFZJGCJXQE-GFCCVEGCSA-N -1 0 346.404 3.617 20 0 EHADRM C=COc1ccc(NCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)cc1 ZINC001588474341 958554856 /nfs/dbraw/zinc/55/48/56/958554856.db2.gz HPIQCQYSEKZTCG-CQSZACIVSA-N -1 0 342.395 3.715 20 0 EHADRM Cc1ccc(OC(=O)Cc2ccccc2C(=O)[O-])cc1Br ZINC001594374059 958574230 /nfs/dbraw/zinc/57/42/30/958574230.db2.gz DPZYLWTWJLFMJU-UHFFFAOYSA-N -1 0 349.180 3.604 20 0 EHADRM CCC[C@H]1CCCCN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000391704256 972358917 /nfs/dbraw/zinc/35/89/17/972358917.db2.gz DYBLIYHPFNJOPM-JTQLQIEISA-N -1 0 326.343 3.850 20 0 EHADRM C/C(=C/C(=O)NC[C@H](C(=O)[O-])C(C)C)c1ccccc1C(F)(F)F ZINC001588479731 958579297 /nfs/dbraw/zinc/57/92/97/958579297.db2.gz BYBCVEQXAVHOGZ-ZWXCPPHNSA-N -1 0 343.345 3.582 20 0 EHADRM Cc1ccc2[nH]c(-c3nc(C4(C(=O)[O-])CCC4)no3)c(Cl)c2c1 ZINC001594381090 958621186 /nfs/dbraw/zinc/62/11/86/958621186.db2.gz HBSYOVCLSMZIER-UHFFFAOYSA-N -1 0 331.759 3.686 20 0 EHADRM CCCC1(CNC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CCC1 ZINC000391736871 972363961 /nfs/dbraw/zinc/36/39/61/972363961.db2.gz IABCXLPDAUCPBY-UHFFFAOYSA-N -1 0 326.343 3.755 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)Nc1cccnc1C(=O)[O-])c1ccccc1 ZINC001573391060 958699665 /nfs/dbraw/zinc/69/96/65/958699665.db2.gz PXBMHVINVSNHDR-HNNXBMFYSA-N -1 0 327.384 3.689 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)Cc1ccccc1C(F)(F)F)C(=O)[O-] ZINC001573394264 958709876 /nfs/dbraw/zinc/70/98/76/958709876.db2.gz CFRLYMJKGCDWFU-ZDUSSCGKSA-N -1 0 345.361 3.644 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)Cc1ccccc1C(F)(F)F)C(=O)[O-] ZINC001573394261 958710148 /nfs/dbraw/zinc/71/01/48/958710148.db2.gz CFRLYMJKGCDWFU-CYBMUJFWSA-N -1 0 345.361 3.644 20 0 EHADRM COc1ccccc1CC(C)(C)NC(=O)Nc1ccccc1C(=O)[O-] ZINC001594144163 958748236 /nfs/dbraw/zinc/74/82/36/958748236.db2.gz NWJKDNOHIOUGOW-UHFFFAOYSA-N -1 0 342.395 3.536 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CCCCCC2)ccc1Br ZINC000132363485 958782426 /nfs/dbraw/zinc/78/24/26/958782426.db2.gz YMKUYJMAGSCJIF-UHFFFAOYSA-N -1 0 341.205 3.555 20 0 EHADRM Cc1cccc([C@H](NCc2cnc(-c3ccco3)s2)C(=O)[O-])c1 ZINC001594397850 958789908 /nfs/dbraw/zinc/78/99/08/958789908.db2.gz NFILFJHOJGRQDR-HNNXBMFYSA-N -1 0 328.393 3.627 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccccc2OC(F)F)c(F)cc1F ZINC000391864636 972384101 /nfs/dbraw/zinc/38/41/01/972384101.db2.gz SHXONNBUHHJPER-UHFFFAOYSA-N -1 0 343.232 3.517 20 0 EHADRM COc1nccc2c(NC(=O)c3cc(C)cc(C(=O)[O-])c3)cccc21 ZINC001594160707 958887213 /nfs/dbraw/zinc/88/72/13/958887213.db2.gz XPDJODPKKSFAFU-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM Cc1cccc(N(C(=O)c2ccc(C(=O)[O-])cc2)C2CCOCC2)c1 ZINC001594404769 958892666 /nfs/dbraw/zinc/89/26/66/958892666.db2.gz HQQVXIUGJFVSEB-UHFFFAOYSA-N -1 0 339.391 3.519 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)Cc1ccc(Cl)cc1Cl ZINC000136715102 958909097 /nfs/dbraw/zinc/90/90/97/958909097.db2.gz KBROQTPRFNDOKI-GFCCVEGCSA-N -1 0 332.227 3.542 20 0 EHADRM Cc1cccc([C@@H]2CCN(C(=O)Nc3cccc(CC(=O)[O-])c3)C2)c1 ZINC001594409717 958938664 /nfs/dbraw/zinc/93/86/64/958938664.db2.gz QKPGKWNFHKIRPO-QGZVFWFLSA-N -1 0 338.407 3.644 20 0 EHADRM CC(C)(CNC(=O)Nc1cc(C(=O)[O-])ccn1)c1ccccc1Cl ZINC001573475098 958960886 /nfs/dbraw/zinc/96/08/86/958960886.db2.gz WPPDYXZAJHPJAJ-UHFFFAOYSA-N -1 0 347.802 3.533 20 0 EHADRM Cc1cccc2oc(C(=O)NC[C@@](C)(C(=O)[O-])c3ccccc3)cc21 ZINC001594413248 958966182 /nfs/dbraw/zinc/96/61/82/958966182.db2.gz ACQXKRJZMGIYHU-HXUWFJFHSA-N -1 0 337.375 3.514 20 0 EHADRM Cc1nc(-c2ccccc2C)sc1C(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC001594413789 958976675 /nfs/dbraw/zinc/97/66/75/958976675.db2.gz JYCWVAYDXXQIPY-LBPRGKRZSA-N -1 0 344.436 3.505 20 0 EHADRM O=C([O-])c1ccnc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c1 ZINC000145869626 958991218 /nfs/dbraw/zinc/99/12/18/958991218.db2.gz HUTZJNJOJPSDMU-UHFFFAOYSA-N -1 0 346.386 3.622 20 0 EHADRM C[C@H](C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1cn(C)c2ccccc12 ZINC001588552560 959034295 /nfs/dbraw/zinc/03/42/95/959034295.db2.gz UZNJCCRUCLKPTM-BBRMVZONSA-N -1 0 344.455 3.678 20 0 EHADRM Cc1ccccc1[C@H]1C[C@H](NC(=O)N2CCCC[C@H]2CCC(=O)[O-])C1 ZINC001594418793 959042201 /nfs/dbraw/zinc/04/22/01/959042201.db2.gz LEJLFLYWLKGMBN-ULQDDVLXSA-N -1 0 344.455 3.670 20 0 EHADRM O=C([O-])c1c(NC(=O)[C@H]2CCCCS2)sc2c1CCCC2 ZINC000156225072 959047083 /nfs/dbraw/zinc/04/70/83/959047083.db2.gz KVAWGGRXHCVCIA-LLVKDONJSA-N -1 0 325.455 3.549 20 0 EHADRM C[C@H](C(=O)Nc1cncc(C(=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC001588561240 959099780 /nfs/dbraw/zinc/09/97/80/959099780.db2.gz TUBDFTMRZZBKHH-VIFPVBQESA-N -1 0 338.285 3.541 20 0 EHADRM Cc1ccnc(Oc2ccc(C(=O)Nc3ncccc3C(=O)[O-])cc2)c1 ZINC001594425073 959108093 /nfs/dbraw/zinc/10/80/93/959108093.db2.gz BIAKELJFGFWFTI-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM COc1cc(C)ccc1OCCOc1ccc(/C=C/C(=O)[O-])cc1 ZINC000392032376 972402352 /nfs/dbraw/zinc/40/23/52/972402352.db2.gz DKLDBBUXJQNUOW-UXBLZVDNSA-N -1 0 328.364 3.559 20 0 EHADRM CSc1ccccc1[C@@H](C)NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001594197916 959212811 /nfs/dbraw/zinc/21/28/11/959212811.db2.gz LLCCKFKAWFRVNA-HIJJYWJESA-N -1 0 331.393 3.590 20 0 EHADRM CC[C@@H](NC(=O)CC1(CC(=O)[O-])CCCC1)c1ccccc1OC ZINC000392109573 972410720 /nfs/dbraw/zinc/41/07/20/972410720.db2.gz QDPXSQLEPZIEEK-OAHLLOKOSA-N -1 0 333.428 3.688 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)/C=C\c1csc(C(F)(F)F)c1 ZINC001594212291 959300680 /nfs/dbraw/zinc/30/06/80/959300680.db2.gz KTNHQQSQYYMLOK-RDOIKZAQSA-N -1 0 347.358 3.634 20 0 EHADRM C[C@H](CCNC(=O)N1CCC[C@H](CCC(=O)[O-])C1)CC(C)(C)C ZINC001573580618 959351794 /nfs/dbraw/zinc/35/17/94/959351794.db2.gz PXUTUWMHJILEOG-HUUCEWRRSA-N -1 0 326.481 3.735 20 0 EHADRM Cc1nc(C(C)C)sc1[C@H](C)OC(=O)c1ccc(C(=O)[O-])cn1 ZINC001594449890 959360311 /nfs/dbraw/zinc/36/03/11/959360311.db2.gz QIGVPFGTZJDBOD-JTQLQIEISA-N -1 0 334.397 3.586 20 0 EHADRM Cc1nc(C2CCCCC2)sc1C(=O)N([C@H](C)C(=O)[O-])C1CC1 ZINC001594451694 959379451 /nfs/dbraw/zinc/37/94/51/959379451.db2.gz LCAXBCNEASXRQD-LLVKDONJSA-N -1 0 336.457 3.577 20 0 EHADRM C[C@@H](CSCc1ccccc1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001573607917 959460227 /nfs/dbraw/zinc/46/02/27/959460227.db2.gz JRFZWUJUQNOVEF-JKSUJKDBSA-N -1 0 349.496 3.659 20 0 EHADRM C[C@@H](NC(=O)Nc1ccccc1C(=O)[O-])C1CCC(F)(F)CC1 ZINC001573620542 959502264 /nfs/dbraw/zinc/50/22/64/959502264.db2.gz BZDWXHBBGDLAKZ-SNVBAGLBSA-N -1 0 326.343 3.720 20 0 EHADRM CC(C)(C(=O)Nc1ccccc1CC(=O)[O-])c1ccc(F)cc1F ZINC001588611323 959512031 /nfs/dbraw/zinc/51/20/31/959512031.db2.gz QVLPKRMWTQYYBI-UHFFFAOYSA-N -1 0 333.334 3.508 20 0 EHADRM Cc1ccc(SC2CCCC2)c(C(=O)N(C)CCCC(=O)[O-])c1 ZINC000190541484 959512862 /nfs/dbraw/zinc/51/28/62/959512862.db2.gz ZEIQJGDGWXUEGF-UHFFFAOYSA-N -1 0 335.469 3.967 20 0 EHADRM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(-c2ccoc2)c1 ZINC000190732011 959521055 /nfs/dbraw/zinc/52/10/55/959521055.db2.gz RTZWEBTVZKTHTQ-IBGZPJMESA-N -1 0 347.370 3.598 20 0 EHADRM Cc1cc(Cl)c(C(=O)Nc2cccc(OCC(=O)[O-])c2)cc1C ZINC000190915424 959527569 /nfs/dbraw/zinc/52/75/69/959527569.db2.gz AAGPNDWMPDOGJA-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM CC[C@@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000190918781 959528096 /nfs/dbraw/zinc/52/80/96/959528096.db2.gz APZJOSHEMZWCHC-QGZVFWFLSA-N -1 0 329.371 3.676 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2ncccc2C(F)(F)F)c1 ZINC000191012074 959534129 /nfs/dbraw/zinc/53/41/29/959534129.db2.gz LGIOKSYUXNJONM-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM Cc1ccc(SC2CCCC2)c(C(=O)N2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000191052161 959535834 /nfs/dbraw/zinc/53/58/34/959535834.db2.gz XCVHTDOVWROZDM-IBGZPJMESA-N -1 0 347.480 3.967 20 0 EHADRM Cc1onc(-c2ccccc2)c1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000191352395 959554576 /nfs/dbraw/zinc/55/45/76/959554576.db2.gz UUHOXDSYOVUXMH-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000191510781 959573494 /nfs/dbraw/zinc/57/34/94/959573494.db2.gz MCYMWIXSBUQWNI-AWEZNQCLSA-N -1 0 335.419 3.546 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)c3cc(C(=O)[O-])co3)cn2)cc1 ZINC000191570436 959583556 /nfs/dbraw/zinc/58/35/56/959583556.db2.gz NXWJZPOVKVIYTR-UHFFFAOYSA-N -1 0 338.319 3.726 20 0 EHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)C[C@H]2CCCCO2)cc1 ZINC000192865971 959592199 /nfs/dbraw/zinc/59/21/99/959592199.db2.gz DSLDWFWSNCGVCO-IAGOWNOFSA-N -1 0 347.455 3.575 20 0 EHADRM C[C@@H](C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21)c1cc2ccccc2o1 ZINC000192952771 959600445 /nfs/dbraw/zinc/60/04/45/959600445.db2.gz ABELZEXKXNTMGU-IUODEOHRSA-N -1 0 335.359 3.751 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)c1 ZINC000193241909 959617425 /nfs/dbraw/zinc/61/74/25/959617425.db2.gz PUJSWMCVCUSXDK-UHFFFAOYSA-N -1 0 347.374 3.700 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC001573665412 959690624 /nfs/dbraw/zinc/69/06/24/959690624.db2.gz YEGFCBCGZZZITL-IBGZPJMESA-N -1 0 349.858 3.622 20 0 EHADRM CC1(C)C[C@@]1(C)CNC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001573667385 959701595 /nfs/dbraw/zinc/70/15/95/959701595.db2.gz GQNYBNOQPFJIMS-FQEVSTJZSA-N -1 0 344.455 3.710 20 0 EHADRM C[C@@H]1CCCN(C(=O)C(c2ccccc2)c2ccccc2)[C@@H]1C(=O)[O-] ZINC001573723800 959889670 /nfs/dbraw/zinc/88/96/70/959889670.db2.gz WGNWBXSRJBTSJK-BEFAXECRSA-N -1 0 337.419 3.530 20 0 EHADRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1CCCCS1 ZINC000226889409 959908545 /nfs/dbraw/zinc/90/85/45/959908545.db2.gz ZKBBUULMBCJLRK-SECBINFHSA-N -1 0 330.793 3.644 20 0 EHADRM CCC1(NC(=O)Nc2ccc(Br)c(C(=O)[O-])c2)CCC1 ZINC000229524204 960084428 /nfs/dbraw/zinc/08/44/28/960084428.db2.gz JBTKVUJUONVKAA-UHFFFAOYSA-N -1 0 341.205 3.602 20 0 EHADRM O=C([O-])c1ccnc(Oc2ccc3cc(Br)ccc3c2)n1 ZINC000231955877 960234580 /nfs/dbraw/zinc/23/45/80/960234580.db2.gz IAIWPQHZGBIGTA-UHFFFAOYSA-N -1 0 345.152 3.883 20 0 EHADRM CSc1ccc(C)c(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000392501407 972492407 /nfs/dbraw/zinc/49/24/07/972492407.db2.gz XCKVKLSUWFKPTB-OAHLLOKOSA-N -1 0 341.432 3.936 20 0 EHADRM C[C@@H]1CCCN(C(=O)c2cc(C(F)(F)F)ccc2Cl)[C@@H]1C(=O)[O-] ZINC001573726896 960416463 /nfs/dbraw/zinc/41/64/63/960416463.db2.gz QGXWSXFVNWYPOR-PELKAZGASA-N -1 0 349.736 3.684 20 0 EHADRM COc1cccc2c1CC[C@@H]2OC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001574232913 960420434 /nfs/dbraw/zinc/42/04/34/960420434.db2.gz QMIAERNGYRKNDZ-KRWDZBQOSA-N -1 0 326.348 3.546 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc3c(s2)CCCCCC3)C[C@@H]1C(=O)[O-] ZINC001573736387 960439443 /nfs/dbraw/zinc/43/94/43/960439443.db2.gz USPABSJSWJZDSA-JSGCOSHPSA-N -1 0 335.469 3.590 20 0 EHADRM C[C@@H]1CCc2c(sc3ncnc(N4CCC[C@@H](CC(=O)[O-])C4)c32)C1 ZINC001573738677 960471818 /nfs/dbraw/zinc/47/18/18/960471818.db2.gz JMDSECHPIDQNMI-NEPJUHHUSA-N -1 0 345.468 3.507 20 0 EHADRM C[C@@H]1CN(C(=O)[C@@H](C(=O)[O-])C(C)(C)C)CCc2ccc(Cl)cc21 ZINC001573739130 960475714 /nfs/dbraw/zinc/47/57/14/960475714.db2.gz PENBVEZAROIPPJ-ABAIWWIYSA-N -1 0 337.847 3.575 20 0 EHADRM CSc1ccc(CCC(=O)N[C@H](C(=O)[O-])c2cccc(C)c2)cc1 ZINC001574257503 960543489 /nfs/dbraw/zinc/54/34/89/960543489.db2.gz MLWQBVZMDXOSON-SFHVURJKSA-N -1 0 343.448 3.592 20 0 EHADRM C[C@@H]1CN(CCOc2ccccc2C(=O)[O-])c2cccc(Cl)c2O1 ZINC001573750100 960550546 /nfs/dbraw/zinc/55/05/46/960550546.db2.gz ZGKOSWJDBNNYTR-GFCCVEGCSA-N -1 0 347.798 3.705 20 0 EHADRM CS[C@@H](C)CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001604948597 972519499 /nfs/dbraw/zinc/51/94/99/972519499.db2.gz ODTAFLDIHNIESR-BDAKNGLRSA-N -1 0 327.471 3.651 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001574296029 960692685 /nfs/dbraw/zinc/69/26/85/960692685.db2.gz AICKMMNEIAYPMF-CQSZACIVSA-N -1 0 345.301 3.575 20 0 EHADRM CC(C)c1cc(C(=O)Nc2cc(C(=O)[O-])ccc2F)nn1C(C)(C)C ZINC000236616518 960717277 /nfs/dbraw/zinc/71/72/77/960717277.db2.gz AMEFKKWRCSJFHK-UHFFFAOYSA-N -1 0 347.390 3.851 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1cc(F)cc(F)c1 ZINC000236635432 960719879 /nfs/dbraw/zinc/71/98/79/960719879.db2.gz DNVUMGYCVZBCBT-UHFFFAOYSA-N -1 0 335.306 3.703 20 0 EHADRM CCCCOc1ccc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000236668190 960727517 /nfs/dbraw/zinc/72/75/17/960727517.db2.gz SNULOSGBRUBOIB-UHFFFAOYSA-N -1 0 341.407 3.836 20 0 EHADRM Cc1ccc(CNC(=O)CCCC(=O)[O-])c(Oc2ccccc2)c1 ZINC001261502866 960736818 /nfs/dbraw/zinc/73/68/18/960736818.db2.gz BSAOXFSOVPWCKL-UHFFFAOYSA-N -1 0 327.380 3.658 20 0 EHADRM Cc1cc(C)c2nc(C3CC3)cc(C(=O)N[C@@H](C(=O)[O-])C(C)C)c2c1 ZINC000236707108 960737473 /nfs/dbraw/zinc/73/74/73/960737473.db2.gz AANXRZOOGJENQZ-QGZVFWFLSA-N -1 0 340.423 3.568 20 0 EHADRM CCCN(C(=O)c1ccc(C(=O)[O-])o1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000236743609 960749651 /nfs/dbraw/zinc/74/96/51/960749651.db2.gz YPACNBNNCWKTEP-CVEARBPZSA-N -1 0 349.427 3.568 20 0 EHADRM CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(OCC(=O)[O-])cc2C)C1(C)C ZINC000236752353 960752091 /nfs/dbraw/zinc/75/20/91/960752091.db2.gz CGTDPSZJEAWBLJ-WMLDXEAASA-N -1 0 331.412 3.635 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001573791413 960754893 /nfs/dbraw/zinc/75/48/93/960754893.db2.gz OEBJNBXHRGRWKA-AWEZNQCLSA-N -1 0 337.464 3.562 20 0 EHADRM CC(C)c1cccc(OCC(=O)N[C@H](CC(=O)[O-])c2cccs2)c1 ZINC000236796955 960760404 /nfs/dbraw/zinc/76/04/04/960760404.db2.gz KVASUMPKGGXDTR-OAHLLOKOSA-N -1 0 347.436 3.583 20 0 EHADRM CCC[C@@H](NC(=O)CCCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000236832195 960767210 /nfs/dbraw/zinc/76/72/10/960767210.db2.gz PCOXIZLMGMZKSO-SECBINFHSA-N -1 0 338.256 3.747 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)Cc1csc(C2CCCC2)n1 ZINC001261894565 960777376 /nfs/dbraw/zinc/77/73/76/960777376.db2.gz AONXQPWAMBKRER-UHFFFAOYSA-N -1 0 344.436 3.989 20 0 EHADRM CCC(CC)(CNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000236862072 960780173 /nfs/dbraw/zinc/78/01/73/960780173.db2.gz IKQAWSDGXMTZMT-ZWKOTPCHSA-N -1 0 339.435 3.951 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000236901814 960793996 /nfs/dbraw/zinc/79/39/96/960793996.db2.gz KQEVOIMCCSFGCR-GOEBONIOSA-N -1 0 335.469 3.661 20 0 EHADRM CCCCc1nc2cc(NC(=O)c3cccc(C(=O)[O-])c3)ccc2[nH]1 ZINC000236945394 960806172 /nfs/dbraw/zinc/80/61/72/960806172.db2.gz RSFJKXFXTDYTHS-UHFFFAOYSA-N -1 0 337.379 3.856 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)CSc1ccc2ccccc2c1)C(=O)[O-] ZINC000237005041 960833166 /nfs/dbraw/zinc/83/31/66/960833166.db2.gz LGNUMQHWLBTRBT-PXAZEXFGSA-N -1 0 331.437 3.547 20 0 EHADRM Cc1ccc(SCCC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000237023900 960840552 /nfs/dbraw/zinc/84/05/52/960840552.db2.gz YSBVSXXJSMTPQI-UHFFFAOYSA-N -1 0 343.448 3.834 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000237044614 960851596 /nfs/dbraw/zinc/85/15/96/960851596.db2.gz QMUXKHBLDYBNIR-KGLIPLIRSA-N -1 0 343.423 3.664 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cc(C2CC2)nc2ccc(C)cc21 ZINC000237059307 960860019 /nfs/dbraw/zinc/86/00/19/960860019.db2.gz PHBQEPCULYKAGT-CYBMUJFWSA-N -1 0 340.423 3.746 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000237108563 960873735 /nfs/dbraw/zinc/87/37/35/960873735.db2.gz QNMODFIIIXKHAS-RFAUZJTJSA-N -1 0 348.226 3.520 20 0 EHADRM CC[C@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)c1cc(C)ccc1C ZINC001573810203 960881513 /nfs/dbraw/zinc/88/15/13/960881513.db2.gz AXPJZQMTYXDNML-SFHVURJKSA-N -1 0 341.407 3.648 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)c2cc3c(o2)CCCC3)cc1 ZINC001263630709 960881595 /nfs/dbraw/zinc/88/15/95/960881595.db2.gz VKQJUSXHJPXCHO-UHFFFAOYSA-N -1 0 343.379 3.654 20 0 EHADRM Cc1ccc(NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])cc1F ZINC000237383336 960921815 /nfs/dbraw/zinc/92/18/15/960921815.db2.gz SYEDZLZCOYFZLV-LLVKDONJSA-N -1 0 333.384 3.952 20 0 EHADRM Cc1noc(C)c1[C@H](C)C(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000237462668 960939322 /nfs/dbraw/zinc/93/93/22/960939322.db2.gz GLACOLKXNRDEKM-JTQLQIEISA-N -1 0 338.363 3.885 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])o1)C(c1ccccc1)c1ccccc1 ZINC000237519662 960950890 /nfs/dbraw/zinc/95/08/90/960950890.db2.gz BRAFLYBOESJMNW-CQSZACIVSA-N -1 0 349.386 3.928 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)c1ccc(C(=O)[O-])s1 ZINC000237604252 960972642 /nfs/dbraw/zinc/97/26/42/960972642.db2.gz JPVVSWBICWSHMO-JTQLQIEISA-N -1 0 329.377 3.992 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000237644266 960984418 /nfs/dbraw/zinc/98/44/18/960984418.db2.gz CHONHVGOMMZFOY-GFCCVEGCSA-N -1 0 347.798 3.512 20 0 EHADRM Cc1ccc(Br)cc1NC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001574351378 960991044 /nfs/dbraw/zinc/99/10/44/960991044.db2.gz SEZREDKEFJGYRB-CYBMUJFWSA-N -1 0 340.217 3.587 20 0 EHADRM Cc1ccc(NC(=O)Cc2coc(-c3ccccc3)n2)cc1C(=O)[O-] ZINC000237686942 960994910 /nfs/dbraw/zinc/99/49/10/960994910.db2.gz LOUUJRRMYNXESX-UHFFFAOYSA-N -1 0 336.347 3.529 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCCc2ccc(-c3ccccc3)cc2)o1 ZINC001321145895 960997362 /nfs/dbraw/zinc/99/73/62/960997362.db2.gz BDCMBAYYUVSCNX-UHFFFAOYSA-N -1 0 335.359 3.617 20 0 EHADRM Cc1sc(C(=O)N(CC(=O)[O-])C2CC2)cc1-c1ccc(F)cc1 ZINC000237695036 960999879 /nfs/dbraw/zinc/99/98/79/960999879.db2.gz CZKSTHYXJAZWMH-UHFFFAOYSA-N -1 0 333.384 3.552 20 0 EHADRM COc1ccc2cc(C(=O)N[C@@]3(C)CCCC[C@H]3C(=O)[O-])ccc2c1 ZINC001321953500 961005106 /nfs/dbraw/zinc/00/51/06/961005106.db2.gz GDQQRDUHDKOULT-PXNSSMCTSA-N -1 0 341.407 3.612 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)CC(C)(C)c1ccccc1 ZINC000237751780 961015761 /nfs/dbraw/zinc/01/57/61/961015761.db2.gz WODWBXKYCUANTJ-UHFFFAOYSA-N -1 0 341.407 3.765 20 0 EHADRM Cc1ccc2c(c1)S[C@@H](C(=O)Nc1ccc(C)c(C(=O)[O-])c1)C2 ZINC001323488354 961018088 /nfs/dbraw/zinc/01/80/88/961018088.db2.gz RJWGJIQOEXGBTG-MRXNPFEDSA-N -1 0 327.405 3.657 20 0 EHADRM Cc1cccc(Nc2ccccc2C(=O)N2CC[C@@H](C(=O)[O-])C2)c1C ZINC000237761857 961018767 /nfs/dbraw/zinc/01/87/67/961018767.db2.gz UWLBCSSFRRKUQL-OAHLLOKOSA-N -1 0 338.407 3.594 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H](C)c2cccc(F)c2)cc1 ZINC001324011340 961022477 /nfs/dbraw/zinc/02/24/77/961022477.db2.gz MOLUJWPFWSUJAW-DYVFJYSZSA-N -1 0 329.371 3.570 20 0 EHADRM Cc1ccc(CC2CCN(C(=O)c3ccc(C(=O)[O-])cc3)CC2)cc1 ZINC001324222756 961028839 /nfs/dbraw/zinc/02/88/39/961028839.db2.gz VXJLIQSRCWTHNZ-UHFFFAOYSA-N -1 0 337.419 3.788 20 0 EHADRM CCC[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001573836570 961058732 /nfs/dbraw/zinc/05/87/32/961058732.db2.gz VGSASMSPUJMXDO-HBIYDYFMSA-N -1 0 327.380 3.519 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)CCC1CCOCC1 ZINC000238011290 961074548 /nfs/dbraw/zinc/07/45/48/961074548.db2.gz GTLSFSPSOFPMIK-UHFFFAOYSA-N -1 0 327.380 3.683 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cn1 ZINC000238022519 961078301 /nfs/dbraw/zinc/07/83/01/961078301.db2.gz OPJSKXQFMGMXJU-UHFFFAOYSA-N -1 0 332.315 3.932 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCc2ccc(Oc3ccccc3)cc2)o1 ZINC000238022894 961079630 /nfs/dbraw/zinc/07/96/30/961079630.db2.gz KKPWKQPCPGJWQW-UHFFFAOYSA-N -1 0 337.331 3.700 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2SC(F)(F)F)o1 ZINC000238060746 961089931 /nfs/dbraw/zinc/08/99/31/961089931.db2.gz LAZXSOHHWCAGJT-UHFFFAOYSA-N -1 0 331.271 3.842 20 0 EHADRM O=C([O-])[C@H]1CCCN1C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 ZINC000238077167 961092870 /nfs/dbraw/zinc/09/28/70/961092870.db2.gz QUBLYIGQWXJCDS-TUPIDYKKSA-N -1 0 345.395 3.643 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCCOc2ccccc2Cl)cc1 ZINC000238109311 961100786 /nfs/dbraw/zinc/10/07/86/961100786.db2.gz AASVFSSBAHEDGR-UHFFFAOYSA-N -1 0 333.771 3.836 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2ccc(Cl)c3cccnc23)cc1 ZINC000238127911 961116696 /nfs/dbraw/zinc/11/66/96/961116696.db2.gz ANTNCPMNXSDBQD-UHFFFAOYSA-N -1 0 340.766 3.516 20 0 EHADRM Cc1cccc([C@H](NC(=O)[C@H]2CCc3c2cccc3Cl)C(=O)[O-])c1 ZINC001574390306 961168959 /nfs/dbraw/zinc/16/89/59/961168959.db2.gz UJCJIIGUQJOZOV-RDJZCZTQSA-N -1 0 343.810 3.620 20 0 EHADRM Cc1cccc(C)c1OCCC(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001574394885 961200190 /nfs/dbraw/zinc/20/01/90/961200190.db2.gz HQZCLNYSWYGUMS-UHFFFAOYSA-N -1 0 328.364 3.514 20 0 EHADRM CC(C)(C)c1ncsc1C(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC001588748555 961202204 /nfs/dbraw/zinc/20/22/04/961202204.db2.gz UWTQBVVQJOCFHI-UHFFFAOYSA-N -1 0 344.436 3.732 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1c1nc(-c2ccccc2)nc2ccccc21 ZINC001328607195 961218310 /nfs/dbraw/zinc/21/83/10/961218310.db2.gz WKSFPJBZGCKPGE-HIFRSBDPSA-N -1 0 333.391 3.596 20 0 EHADRM CCCn1ncc(NC(=O)Nc2ccccc2C(=O)[O-])c1C1CC1 ZINC001573872722 961221852 /nfs/dbraw/zinc/22/18/52/961221852.db2.gz ZSDGJXKPRITOMF-UHFFFAOYSA-N -1 0 328.372 3.513 20 0 EHADRM CC(C)(CCNC(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)[O-] ZINC001588775470 961280871 /nfs/dbraw/zinc/28/08/71/961280871.db2.gz LRHRATOAPXMBQV-UHFFFAOYSA-N -1 0 337.725 3.590 20 0 EHADRM Cc1ccc(C)c(OCCCCC(=O)N(C)C(C)(C)CC(=O)[O-])c1 ZINC001331339885 961374975 /nfs/dbraw/zinc/37/49/75/961374975.db2.gz ZZUXSWSBIWQCNO-UHFFFAOYSA-N -1 0 335.444 3.564 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)c(F)c1 ZINC000261862786 961397435 /nfs/dbraw/zinc/39/74/35/961397435.db2.gz KOGBXRUMKZPBMO-NXEZZACHSA-N -1 0 333.281 3.831 20 0 EHADRM C[C@@H](CC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000262049331 961415981 /nfs/dbraw/zinc/41/59/81/961415981.db2.gz VFTDXRDOYRLRDZ-ZDUSSCGKSA-N -1 0 329.371 3.676 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C[C@@H]2CCCc3ccccc32)Cc2ccccc21 ZINC000262062514 961424003 /nfs/dbraw/zinc/42/40/03/961424003.db2.gz BWOPODGTEWRSNS-OXJNMPFZSA-N -1 0 349.430 3.707 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)Cc1ccccc1C(=O)[O-])C(C)C ZINC000262116353 961474128 /nfs/dbraw/zinc/47/41/28/961474128.db2.gz FXMDIVXBOFTDJB-LJQANCHMSA-N -1 0 325.408 3.749 20 0 EHADRM Cc1cccc(Oc2ccccc2NC(=O)[C@H]2CC[C@H]2C(=O)[O-])c1 ZINC000262162121 961511571 /nfs/dbraw/zinc/51/15/71/961511571.db2.gz PVHONIUZDXHBCJ-LSDHHAIUSA-N -1 0 325.364 3.837 20 0 EHADRM CCOc1ccc2ccccc2c1OC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001573924237 961537382 /nfs/dbraw/zinc/53/73/82/961537382.db2.gz ATVVLTVIXNEMPJ-KGLIPLIRSA-N -1 0 328.364 3.645 20 0 EHADRM CC[C@H]1c2ccsc2CCN1C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000262210542 961556253 /nfs/dbraw/zinc/55/62/53/961556253.db2.gz PRJWUQRKHVUMSU-HNNXBMFYSA-N -1 0 329.421 3.525 20 0 EHADRM CC[C@@H](NC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccccc2s1)C(=O)[O-] ZINC001573931252 961574472 /nfs/dbraw/zinc/57/44/72/961574472.db2.gz QNIJBHOLXZPALC-FRRDWIJNSA-N -1 0 346.452 3.550 20 0 EHADRM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000262233263 961576767 /nfs/dbraw/zinc/57/67/67/961576767.db2.gz SPUIKZYQCTUHJZ-OAHLLOKOSA-N -1 0 337.419 3.755 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)NC[C@@H](CC)C(=O)[O-] ZINC001573931922 961582754 /nfs/dbraw/zinc/58/27/54/961582754.db2.gz IOEPZNCMFOHFOV-SECBINFHSA-N -1 0 330.837 3.684 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)Cc1ccccc1C(=O)[O-] ZINC000262241975 961586317 /nfs/dbraw/zinc/58/63/17/961586317.db2.gz PELMWYLIBOJBED-MRXNPFEDSA-N -1 0 341.407 3.659 20 0 EHADRM CCSc1ccccc1CC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001573932418 961588388 /nfs/dbraw/zinc/58/83/88/961588388.db2.gz UAXFRBNIDYALLQ-CQSZACIVSA-N -1 0 337.485 3.737 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1cc(SC)ccc1Cl)C(=O)[O-] ZINC001573937044 961610048 /nfs/dbraw/zinc/61/00/48/961610048.db2.gz RFXMQVXREQPRLJ-UFBFGSQYSA-N -1 0 330.837 3.683 20 0 EHADRM CC(C)[C@@H](CNC(=O)N1CC(C)(C)c2c1cccc2Cl)C(=O)[O-] ZINC001588821501 961627217 /nfs/dbraw/zinc/62/72/17/961627217.db2.gz JZQACTMSANUTHG-LLVKDONJSA-N -1 0 338.835 3.504 20 0 EHADRM CCCC[C@@H](NC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1)C(=O)[O-] ZINC000262299017 961629837 /nfs/dbraw/zinc/62/98/37/961629837.db2.gz PSJPRCSBTXQHCU-OAHLLOKOSA-N -1 0 343.379 3.522 20 0 EHADRM CC(C)[C@@H](CNC(=O)N1CC[C@@H](CC(C)(C)C)C1(C)C)C(=O)[O-] ZINC001588823346 961646556 /nfs/dbraw/zinc/64/65/56/961646556.db2.gz VIWXSCZYMSHMFI-UONOGXRCSA-N -1 0 326.481 3.590 20 0 EHADRM CC[C@](C)(NC(=O)c1ccc(CSc2ccccc2)cc1)C(=O)[O-] ZINC000262396187 961694405 /nfs/dbraw/zinc/69/44/05/961694405.db2.gz JGRWHANWXWJKNW-IBGZPJMESA-N -1 0 343.448 3.962 20 0 EHADRM CC(C)[C@H]1CCc2nc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)sc2C1 ZINC001588840461 961788955 /nfs/dbraw/zinc/78/89/55/961788955.db2.gz HKNDBAKGEPYRGJ-GXFFZTMASA-N -1 0 338.473 3.589 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)[C@@H]1C(C)C ZINC001588840466 961789270 /nfs/dbraw/zinc/78/92/70/961789270.db2.gz HQDNKZUCICQTPE-WNRNVDISSA-N -1 0 344.455 3.622 20 0 EHADRM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)o1 ZINC000262675688 961803039 /nfs/dbraw/zinc/80/30/39/961803039.db2.gz AGNAOEYEHDIDNT-DTZQCDIJSA-N -1 0 333.428 3.779 20 0 EHADRM CCCn1ccc2cc(NC(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)ccc21 ZINC000262709601 961819501 /nfs/dbraw/zinc/81/95/01/961819501.db2.gz KYHZBXNJFHLGKC-HDJSIYSDSA-N -1 0 328.412 3.881 20 0 EHADRM Cc1oc(CN(C)Cc2ccc(CSC(F)F)o2)cc1C(=O)[O-] ZINC001334780576 961827765 /nfs/dbraw/zinc/82/77/65/961827765.db2.gz ZSUAWWLENNTWRP-UHFFFAOYSA-N -1 0 345.367 3.967 20 0 EHADRM CC(C)[C@H]1N(C(=O)Nc2ccccc2CC(=O)[O-])CC12CC=CC2 ZINC001588842756 961828306 /nfs/dbraw/zinc/82/83/06/961828306.db2.gz NRWZREOZGGUICL-QGZVFWFLSA-N -1 0 328.412 3.522 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000262759345 961852748 /nfs/dbraw/zinc/85/27/48/961852748.db2.gz KIVUSKFGOARZIK-GUYCJALGSA-N -1 0 345.826 3.503 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)CCOc1ccc2ccccc2c1 ZINC001574521175 961855513 /nfs/dbraw/zinc/85/55/13/961855513.db2.gz CNJJBWFOJNFLRC-UHFFFAOYSA-N -1 0 349.386 3.623 20 0 EHADRM CSc1ccc(NC(=O)CC2(C(F)(F)F)CC2)cc1C(=O)[O-] ZINC001335019334 961888079 /nfs/dbraw/zinc/88/80/79/961888079.db2.gz QRQKKSGMRWNZEC-UHFFFAOYSA-N -1 0 333.331 3.778 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000262820808 961889395 /nfs/dbraw/zinc/88/93/95/961889395.db2.gz YGFMQSCIXQJAAR-LLVKDONJSA-N -1 0 345.420 3.633 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC(c3ccc(Cl)cc3)CC2)C1 ZINC000262822666 961889976 /nfs/dbraw/zinc/88/99/76/961889976.db2.gz AYCFRAASZHLDJW-LSDHHAIUSA-N -1 0 335.831 3.547 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1cc(-c2cccc(F)c2)no1 ZINC001335043250 961897862 /nfs/dbraw/zinc/89/78/62/961897862.db2.gz RJXRIEMVURHDKN-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM COc1cccc([C@H](C)C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c1 ZINC000262835590 961901741 /nfs/dbraw/zinc/90/17/41/961901741.db2.gz BZOSVYRCINAIPT-QWHCGFSZSA-N -1 0 327.380 3.626 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCc2ccc(C(C)C)cc2C1)C(=O)[O-] ZINC001588851310 961927828 /nfs/dbraw/zinc/92/78/28/961927828.db2.gz BHNYBSJODIAWJT-QGZVFWFLSA-N -1 0 346.471 3.625 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)c(Cl)c2c1 ZINC001336242960 961955574 /nfs/dbraw/zinc/95/55/74/961955574.db2.gz LBCHKJHCGKRATE-LBPRGKRZSA-N -1 0 336.819 3.749 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)CCCc1ccc2ccccc2c1 ZINC000262887075 961961404 /nfs/dbraw/zinc/96/14/04/961961404.db2.gz HOJPWQPANACDNT-SFHVURJKSA-N -1 0 325.408 3.628 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)C[C@H]1CCCc2ccccc21 ZINC000262929131 962013115 /nfs/dbraw/zinc/01/31/15/962013115.db2.gz LCCIJBPPPGIRJQ-CQSZACIVSA-N -1 0 339.391 3.842 20 0 EHADRM CC(C)CCCCC(=O)Nc1sc2c(c1C(=O)[O-])COCC2 ZINC001588867364 962021915 /nfs/dbraw/zinc/02/19/15/962021915.db2.gz COYAAOYNINHSPW-UHFFFAOYSA-N -1 0 325.430 3.674 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)[C@]2(C(=O)[O-])CC2(C)C)cc1F ZINC001588867717 962031395 /nfs/dbraw/zinc/03/13/95/962031395.db2.gz GILXFSCOJLPKQN-SFHVURJKSA-N -1 0 337.391 3.690 20 0 EHADRM CC(C)=CCC[C@@H](C)NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001339725315 962069324 /nfs/dbraw/zinc/06/93/24/962069324.db2.gz OMIWADMECGFJQO-PBHICJAKSA-N -1 0 330.428 3.515 20 0 EHADRM O=C([O-])CCCNC(=O)Nc1cccc(CSC2CCCC2)c1 ZINC000262994058 962085382 /nfs/dbraw/zinc/08/53/82/962085382.db2.gz DXJFAGRNLZVEKL-UHFFFAOYSA-N -1 0 336.457 3.849 20 0 EHADRM CC(C)CN(CCc1ccccc1)C(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC001588871334 962090163 /nfs/dbraw/zinc/09/01/63/962090163.db2.gz YLHCZIXFAIMYBY-FQEVSTJZSA-N -1 0 329.440 3.525 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cc(-c3ccccc3Cl)on2)CCCC1 ZINC000262996477 962090356 /nfs/dbraw/zinc/09/03/56/962090356.db2.gz VWFPHOGYRGYTEE-UHFFFAOYSA-N -1 0 348.786 3.512 20 0 EHADRM CC(C)COCCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001588875386 962110578 /nfs/dbraw/zinc/11/05/78/962110578.db2.gz GEODWFBCZWGJND-NSHDSACASA-N -1 0 339.457 3.572 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)C1 ZINC000263022589 962130154 /nfs/dbraw/zinc/13/01/54/962130154.db2.gz OOWQNPGINCAGQC-UEXGIBASSA-N -1 0 337.419 3.657 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1cccc(OCC(C)C)c1 ZINC000263028449 962140641 /nfs/dbraw/zinc/14/06/41/962140641.db2.gz USJLBPFBMWHTHA-UHFFFAOYSA-N -1 0 343.379 3.681 20 0 EHADRM CC(C)C[C@@H](NC(=O)C(C)(C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001588880863 962143276 /nfs/dbraw/zinc/14/32/76/962143276.db2.gz IHKJPMGSZOBPAW-CQSZACIVSA-N -1 0 325.836 3.524 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N(CCc2ccc(Cl)cc2)CC2CC2)C1 ZINC000263053367 962186808 /nfs/dbraw/zinc/18/68/08/962186808.db2.gz FBUYPNNDDGBSMJ-JKSUJKDBSA-N -1 0 349.858 3.622 20 0 EHADRM Cc1cscc1NC(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263058118 962195903 /nfs/dbraw/zinc/19/59/03/962195903.db2.gz ODLODOXSDUDUAE-CQSZACIVSA-N -1 0 332.425 3.654 20 0 EHADRM Cn1c(C(=O)[O-])ccc1[C@@H]1CCCCN1C(=O)C1CCCCCC1 ZINC001344593497 962216766 /nfs/dbraw/zinc/21/67/66/962216766.db2.gz XSDFCJBBWHAQMI-INIZCTEOSA-N -1 0 332.444 3.747 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(C(=O)CCC(F)(F)F)CC1 ZINC000263089939 962239127 /nfs/dbraw/zinc/23/91/27/962239127.db2.gz SPEJACUBIRXZNP-UHFFFAOYSA-N -1 0 343.345 3.508 20 0 EHADRM CCN(C(=O)CCc1ccc(C(=O)[O-])cc1)[C@H](C)Cc1ccsc1 ZINC000263107152 962257798 /nfs/dbraw/zinc/25/77/98/962257798.db2.gz WIJWMAZBUGBECT-CQSZACIVSA-N -1 0 345.464 3.859 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1 ZINC001588905955 962271073 /nfs/dbraw/zinc/27/10/73/962271073.db2.gz BQWILAUVOBZBPN-MPGHIAIKSA-N -1 0 331.456 3.700 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)Nc2ccnc(C(=O)[O-])c2)c1 ZINC001588906272 962277797 /nfs/dbraw/zinc/27/77/97/962277797.db2.gz VMWRNIPUZCTECZ-CYBMUJFWSA-N -1 0 326.396 3.721 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1 ZINC001588906345 962279886 /nfs/dbraw/zinc/27/98/86/962279886.db2.gz ZYAXQDCLONWMQP-RVKKMQEKSA-N -1 0 331.456 3.558 20 0 EHADRM C[C@H](CC(F)(F)F)C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001345779174 962290901 /nfs/dbraw/zinc/29/09/01/962290901.db2.gz DJPAPBVOEGDKLF-MFKMUULPSA-N -1 0 343.345 3.509 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cn2)CCC1 ZINC001574633224 962307230 /nfs/dbraw/zinc/30/72/30/962307230.db2.gz MYDOGPXMNOUNEQ-UHFFFAOYSA-N -1 0 346.770 3.721 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)c2cccs2)C1 ZINC000263168074 962320085 /nfs/dbraw/zinc/32/00/85/962320085.db2.gz FNWBSXYVFXOEKP-ARFHVFGLSA-N -1 0 343.448 3.649 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(C(=O)[C@H]2Cc3ccccc32)CC1 ZINC000263177257 962331069 /nfs/dbraw/zinc/33/10/69/962331069.db2.gz ZGTXTJWPBNESBA-FQEVSTJZSA-N -1 0 349.430 3.506 20 0 EHADRM CC(C)N(Cc1cccc(F)c1)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001588920283 962369216 /nfs/dbraw/zinc/36/92/16/962369216.db2.gz FPBINIPHNZWYPZ-VQHVLOKHSA-N -1 0 331.343 3.567 20 0 EHADRM CCC1(C(=O)NCc2cccc(-c3nc(C(=O)[O-])cs3)c2)CCC1 ZINC000263233350 962380452 /nfs/dbraw/zinc/38/04/52/962380452.db2.gz SIERTPIDEMWVHC-UHFFFAOYSA-N -1 0 344.436 3.705 20 0 EHADRM O=C([O-])CCCCC(=O)NCC1(c2cccc(F)c2)CCCCC1 ZINC000263253545 962395365 /nfs/dbraw/zinc/39/53/65/962395365.db2.gz FHBUDXPYWYMYED-UHFFFAOYSA-N -1 0 335.419 3.789 20 0 EHADRM C[C@@H](Oc1ccc(NC(=O)C23CCC(CC2)CC3)cc1F)C(=O)[O-] ZINC001347562930 962402743 /nfs/dbraw/zinc/40/27/43/962402743.db2.gz NMRMSPKWEHWKCO-VQQRXRCHSA-N -1 0 335.375 3.587 20 0 EHADRM CO[C@](C)(C(=O)[O-])C(=O)Nc1cccc(Oc2ccc(C)cc2C)c1 ZINC001574112813 962462245 /nfs/dbraw/zinc/46/22/45/962462245.db2.gz VEHRLOGLRNLZPP-IBGZPJMESA-N -1 0 343.379 3.524 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2csc(C(C)(C)C)n2)cc1 ZINC000263361395 962517280 /nfs/dbraw/zinc/51/72/80/962517280.db2.gz YLQMUVNOTCHFNR-SNVBAGLBSA-N -1 0 332.425 3.881 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000263364944 962522917 /nfs/dbraw/zinc/52/29/17/962522917.db2.gz ZMOKDCCYEUOISI-GUYCJALGSA-N -1 0 333.428 3.941 20 0 EHADRM COc1ccc2sc(C(=O)N[C@@H]3CCC[C@H]3CC(=O)[O-])c(C)c2c1 ZINC001349987929 962528471 /nfs/dbraw/zinc/52/84/71/962528471.db2.gz YWUAJBPOUORSOH-SMDDNHRTSA-N -1 0 347.436 3.592 20 0 EHADRM CCCCOc1ccc(NC(=O)c2cc(C(=O)[O-])ccn2)c(C)c1 ZINC000263388404 962546993 /nfs/dbraw/zinc/54/69/93/962546993.db2.gz FOAPURJCSLXASA-UHFFFAOYSA-N -1 0 328.368 3.519 20 0 EHADRM CCCC[C@H](NC(=O)c1ccccc1CCC(F)(F)F)C(=O)[O-] ZINC000263417322 962587539 /nfs/dbraw/zinc/58/75/39/962587539.db2.gz KIAIWWWBNWOWNG-ZDUSSCGKSA-N -1 0 331.334 3.555 20 0 EHADRM CC(=O)N(c1ccc(NCc2ccc(C(=O)[O-])cc2)cc1)[C@@H]1C[C@H]1C ZINC000263421605 962592442 /nfs/dbraw/zinc/59/24/42/962592442.db2.gz PBJZEDVSOHIABP-BFUOFWGJSA-N -1 0 338.407 3.758 20 0 EHADRM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2cc(C(=O)[O-])ccn2)o1 ZINC000263426466 962600727 /nfs/dbraw/zinc/60/07/27/962600727.db2.gz RJYGMDSITDVRQB-WBMJQRKESA-N -1 0 342.395 3.549 20 0 EHADRM O=C([O-])CCC1(NC(=O)c2ccc3cnccc3c2)CCCCC1 ZINC001350911235 962607416 /nfs/dbraw/zinc/60/74/16/962607416.db2.gz XHLKEBXSOLBFNL-UHFFFAOYSA-N -1 0 326.396 3.532 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)N(C)C(C)(C)CC(=O)[O-] ZINC001351152979 962610291 /nfs/dbraw/zinc/61/02/91/962610291.db2.gz MBDJXTDCVJGYTQ-JTQLQIEISA-N -1 0 329.849 3.532 20 0 EHADRM O=C([O-])CCCNC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000263445110 962629578 /nfs/dbraw/zinc/62/95/78/962629578.db2.gz FQHSRYVXPSFDPK-CYBMUJFWSA-N -1 0 345.226 3.705 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2ncsc2-c2ccccc2)C1 ZINC000263447828 962631065 /nfs/dbraw/zinc/63/10/65/962631065.db2.gz RMFJATJAIFLJIP-CYBMUJFWSA-N -1 0 344.436 3.527 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000263451422 962639742 /nfs/dbraw/zinc/63/97/42/962639742.db2.gz OHBNEWNGHXRKPX-INIZCTEOSA-N -1 0 344.238 3.782 20 0 EHADRM CC(C)c1ccc(C2(C(=O)N3CCC[C@H](C(=O)[O-])C3)CCC2)cc1 ZINC001588966671 962649117 /nfs/dbraw/zinc/64/91/17/962649117.db2.gz HYEVPHBNRZBGCB-INIZCTEOSA-N -1 0 329.440 3.555 20 0 EHADRM O=C([O-])C1(CNC(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1 ZINC000263472100 962657631 /nfs/dbraw/zinc/65/76/31/962657631.db2.gz SCOZDWAIUYHZBK-MRXNPFEDSA-N -1 0 341.432 3.501 20 0 EHADRM CCOCCOc1c(Cl)cccc1NC1CCC(C(=O)[O-])CC1 ZINC000263485598 962671801 /nfs/dbraw/zinc/67/18/01/962671801.db2.gz PIEMGDNFOSXJBB-UHFFFAOYSA-N -1 0 341.835 3.811 20 0 EHADRM C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)NC2CCC(C(=O)[O-])CC2)C1 ZINC000263492504 962675324 /nfs/dbraw/zinc/67/53/24/962675324.db2.gz RQHGSHVRNPKHPC-LTDKPHRXSA-N -1 0 344.455 3.813 20 0 EHADRM O=C([O-])CCCCNC(=O)c1ccc(Oc2cccc(Cl)c2)cn1 ZINC001574702174 962686235 /nfs/dbraw/zinc/68/62/35/962686235.db2.gz PRHFRBVOUMUWLO-UHFFFAOYSA-N -1 0 348.786 3.512 20 0 EHADRM CC[C@@H](CNC(=O)Nc1ccc(SC(F)(F)F)cc1)C(=O)[O-] ZINC001353972043 962686978 /nfs/dbraw/zinc/68/69/78/962686978.db2.gz GDZFCOFSVOAPGU-QMMMGPOBSA-N -1 0 336.335 3.531 20 0 EHADRM CCC[C@@H]1CCCCN1C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000263521176 962703512 /nfs/dbraw/zinc/70/35/12/962703512.db2.gz HHPQOVLOHIBCKN-MRXNPFEDSA-N -1 0 333.428 3.562 20 0 EHADRM C[C@@H](CCC(=O)N1CCc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000263524861 962705132 /nfs/dbraw/zinc/70/51/32/962705132.db2.gz JIFMNNBHGYUMAR-HNNXBMFYSA-N -1 0 337.419 3.853 20 0 EHADRM Cc1ccc2c(c1)CCN2C(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000263554979 962726540 /nfs/dbraw/zinc/72/65/40/962726540.db2.gz YIWNWYNOYJEPMP-CYBMUJFWSA-N -1 0 341.432 3.763 20 0 EHADRM COc1ccccc1[C@@H](CC(C)C)NC(=O)c1ccc(C(=O)[O-])o1 ZINC000263575581 962741518 /nfs/dbraw/zinc/74/15/18/962741518.db2.gz PGKDYWVEARKWFR-CYBMUJFWSA-N -1 0 331.368 3.504 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1c(Cl)n(C)nc1C(C)C ZINC000276255006 962842777 /nfs/dbraw/zinc/84/27/77/962842777.db2.gz LEFKJPJDOCBUHY-UHFFFAOYSA-N -1 0 349.818 3.764 20 0 EHADRM CCc1ccc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)o1 ZINC000277123374 962847467 /nfs/dbraw/zinc/84/74/67/962847467.db2.gz BCTVCSCWKCBYFZ-AWEZNQCLSA-N -1 0 338.201 3.520 20 0 EHADRM COc1ccc(C2CC2)cc1CNC(=O)Nc1ccccc1C(=O)[O-] ZINC001574204582 962901068 /nfs/dbraw/zinc/90/10/68/962901068.db2.gz DBMTYIXAXGCBJC-UHFFFAOYSA-N -1 0 340.379 3.593 20 0 EHADRM COc1ccc(S[C@@H](C)C(=O)Nc2sccc2C(=O)[O-])cc1 ZINC001574222949 962965811 /nfs/dbraw/zinc/96/58/11/962965811.db2.gz NKYLBURMUMMYBR-VIFPVBQESA-N -1 0 337.422 3.574 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)N[C@@H]2CCCC23CCCCC3)c1 ZINC000313006684 963611481 /nfs/dbraw/zinc/61/14/81/963611481.db2.gz IZQFTVMCBTXKEY-MRXNPFEDSA-N -1 0 330.428 3.687 20 0 EHADRM O=C([O-])c1coc(COc2ccc(Br)c(Cl)c2)c1 ZINC000313545914 963665235 /nfs/dbraw/zinc/66/52/35/963665235.db2.gz ZYCSMPVVVQQDCV-UHFFFAOYSA-N -1 0 331.549 3.973 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)c1ccc(Cl)nc1)CCCC2 ZINC000314223405 963727411 /nfs/dbraw/zinc/72/74/11/963727411.db2.gz FFHKNLZGFYZUHX-UHFFFAOYSA-N -1 0 336.800 3.626 20 0 EHADRM Cc1oc(CNc2ncc(C(F)(F)F)cc2Cl)cc1C(=O)[O-] ZINC000314412189 963749879 /nfs/dbraw/zinc/74/98/79/963749879.db2.gz BQTSGKGSXCAVQK-UHFFFAOYSA-N -1 0 334.681 3.966 20 0 EHADRM C[C@H](N[C@@H]1CCSc2ccc(F)cc21)c1ncc(C(=O)[O-])s1 ZINC000314633946 963781482 /nfs/dbraw/zinc/78/14/82/963781482.db2.gz JKCZLXBLQFOUAJ-GZMMTYOYSA-N -1 0 338.429 3.868 20 0 EHADRM C[C@H](Nc1ccc(OCC(F)(F)F)cc1)c1ncc(C(=O)[O-])s1 ZINC000315014813 963844661 /nfs/dbraw/zinc/84/46/61/963844661.db2.gz SQIFGHXHFONBKB-QMMMGPOBSA-N -1 0 346.330 3.956 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2c(cccc2F)s1)c1cccs1 ZINC000316680287 964040339 /nfs/dbraw/zinc/04/03/39/964040339.db2.gz WWTLKYDGUCMOLQ-ZDUSSCGKSA-N -1 0 335.381 3.658 20 0 EHADRM Cc1ccc(C(C)C)c(OCC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC000236725609 967779189 /nfs/dbraw/zinc/77/91/89/967779189.db2.gz JOJXXWXOGBGVTH-INIZCTEOSA-N -1 0 347.455 3.601 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)N3CCC[C@H](CCC(=O)[O-])C3)c2c1 ZINC000237860432 967784166 /nfs/dbraw/zinc/78/41/66/967784166.db2.gz NWGOCVYNPHMDOG-OAHLLOKOSA-N -1 0 342.439 3.512 20 0 EHADRM CC[C@H](NC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000263357304 967879269 /nfs/dbraw/zinc/87/92/69/967879269.db2.gz RDXCIICTKLYONO-WHOFXGATSA-N -1 0 338.835 3.543 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000314229581 967965791 /nfs/dbraw/zinc/96/57/91/967965791.db2.gz ADNUIIBJHASAPG-UHFFFAOYSA-N -1 0 331.271 3.597 20 0 EHADRM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Nc1cccnc1C(=O)[O-] ZINC000322123955 968017294 /nfs/dbraw/zinc/01/72/94/968017294.db2.gz MIUYOLSSWNMILS-JTQLQIEISA-N -1 0 333.775 3.658 20 0 EHADRM CC(C)C[C@H](CNC(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1)CC(=O)[O-] ZINC000325079278 968036196 /nfs/dbraw/zinc/03/61/96/968036196.db2.gz YHJDPVSVBYLAQO-OFQRWUPVSA-N -1 0 335.444 3.589 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc(C(F)(F)F)ccc2F)ccc1O ZINC000325374856 968036277 /nfs/dbraw/zinc/03/62/77/968036277.db2.gz IBYCYXIMBOHHAG-UHFFFAOYSA-N -1 0 343.232 3.501 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(F)c3ccccc23)ccc1O ZINC000326270154 968042950 /nfs/dbraw/zinc/04/29/50/968042950.db2.gz IOQQECYQWCNJOK-UHFFFAOYSA-N -1 0 325.295 3.635 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)N[C@H](Cc1ccccc1)c1cccs1 ZINC000414631541 968339925 /nfs/dbraw/zinc/33/99/25/968339925.db2.gz QMNJKXIGLZYKLW-OAHLLOKOSA-N -1 0 346.452 3.538 20 0 EHADRM CC(C)C[C@@H](NC(=O)C1(c2c(Cl)cccc2Cl)CC1)C(=O)[O-] ZINC000428065686 968371525 /nfs/dbraw/zinc/37/15/25/968371525.db2.gz GJSNSWWXGOUUET-GFCCVEGCSA-N -1 0 344.238 3.641 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000566604527 968430956 /nfs/dbraw/zinc/43/09/56/968430956.db2.gz RMPNJGCNEGFPNC-VIFPVBQESA-N -1 0 349.736 3.686 20 0 EHADRM CCCCOc1ccccc1NC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000580420185 968472422 /nfs/dbraw/zinc/47/24/22/968472422.db2.gz BWFBVTNCHPLQOC-AWEZNQCLSA-N -1 0 334.416 3.584 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000649456508 968589243 /nfs/dbraw/zinc/58/92/43/968589243.db2.gz IPQPTJGBKACDBA-INIZCTEOSA-N -1 0 346.427 3.501 20 0 EHADRM CC[C@@H](NCc1cc(=O)[nH]c(-c2ccccc2)n1)c1nc(C)cs1 ZINC000459409675 1032074745 /nfs/dbraw/zinc/07/47/45/1032074745.db2.gz ROWVIKAHLHCBIE-OAHLLOKOSA-N -1 0 340.452 3.855 20 0 EHADRM CCCC(=O)Nc1cccc(NC(=O)C(CC)(CC)C(=O)[O-])c1C ZINC000653301007 968645613 /nfs/dbraw/zinc/64/56/13/968645613.db2.gz JVPIFCYOOYPCOO-UHFFFAOYSA-N -1 0 334.416 3.563 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(-c2ccc(OC)cc2)c(C)s1 ZINC000653338825 968667505 /nfs/dbraw/zinc/66/75/05/968667505.db2.gz NBNXMYYDRUKMEI-HNNXBMFYSA-N -1 0 347.436 3.667 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653535866 968672377 /nfs/dbraw/zinc/67/23/77/968672377.db2.gz GUHJJCGKYIDCNW-HZSPNIEDSA-N -1 0 348.443 3.731 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(-c3csnn3)cc2)CCCCCC1 ZINC000663066712 968781851 /nfs/dbraw/zinc/78/18/51/968781851.db2.gz IHKBOQICGONGNB-UHFFFAOYSA-N -1 0 345.424 3.569 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)C2(c3cccc(F)c3)CCCCC2)CC1 ZINC000679099666 968864601 /nfs/dbraw/zinc/86/46/01/968864601.db2.gz JDBMABFCDRWVKB-UHFFFAOYSA-N -1 0 347.430 3.741 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)C(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C ZINC000846714458 969256471 /nfs/dbraw/zinc/25/64/71/969256471.db2.gz MIWSVJBQUMKTIJ-RDTXWAMCSA-N -1 0 342.439 3.649 20 0 EHADRM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC000901600010 969446331 /nfs/dbraw/zinc/44/63/31/969446331.db2.gz UHDFSLDKJLIYRS-WDYNUWJLSA-N -1 0 343.354 3.535 20 0 EHADRM O=C([O-])CC[C@H]1Cc2ccccc2N(C(=O)c2ccc(F)s2)C1 ZINC000902819823 969568440 /nfs/dbraw/zinc/56/84/40/969568440.db2.gz KZSJHFRYGLTURI-NSHDSACASA-N -1 0 333.384 3.571 20 0 EHADRM Cc1cc([C@H](C)NC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c(C)o1 ZINC001341308012 969749021 /nfs/dbraw/zinc/74/90/21/969749021.db2.gz NOXCRLVSIPYEBZ-JECHBYEQSA-N -1 0 342.395 3.570 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)COc1ccc(F)cc1Cl ZINC000317911561 970395724 /nfs/dbraw/zinc/39/57/24/970395724.db2.gz NJIDZBAMDYAHIH-UHFFFAOYSA-N -1 0 343.763 3.565 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(Cl)nc2Cl)c(F)cc1F ZINC000318061082 970406898 /nfs/dbraw/zinc/40/68/98/970406898.db2.gz DHTKJVIAGAZXNR-UHFFFAOYSA-N -1 0 347.104 3.617 20 0 EHADRM CSC[C@H]1CCCN(C(=O)Nc2cccc(Cl)c2C(=O)[O-])C1 ZINC000319360815 970529780 /nfs/dbraw/zinc/52/97/80/970529780.db2.gz BEOZOSLCSOHQQT-JTQLQIEISA-N -1 0 342.848 3.645 20 0 EHADRM Cc1nc(-c2cccc(NCc3ncc(C(=O)[O-])s3)c2)cs1 ZINC000319405572 970532011 /nfs/dbraw/zinc/53/20/11/970532011.db2.gz GATKWPQZHGOWQW-UHFFFAOYSA-N -1 0 331.422 3.885 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)[nH]1 ZINC000319456209 970537393 /nfs/dbraw/zinc/53/73/93/970537393.db2.gz OVOBDSJCNNMBCI-UHFFFAOYSA-N -1 0 332.665 3.637 20 0 EHADRM Cc1sc(NC(=O)c2ccc(C(F)(F)F)nc2)c(C(=O)[O-])c1C ZINC000319480450 970540116 /nfs/dbraw/zinc/54/01/16/970540116.db2.gz BDKSEPCYDAWFTN-UHFFFAOYSA-N -1 0 344.314 3.729 20 0 EHADRM O=C([O-])c1cn(CC(=O)Nc2ccccc2Cl)c2ccccc12 ZINC000319758061 970569765 /nfs/dbraw/zinc/56/97/65/970569765.db2.gz CCNBDGWIYDDNID-UHFFFAOYSA-N -1 0 328.755 3.632 20 0 EHADRM O=C([O-])CCc1csc(NCc2cccc(C(F)(F)F)c2)n1 ZINC000320016991 970602082 /nfs/dbraw/zinc/60/20/82/970602082.db2.gz GBXWMVUYTXAOMQ-UHFFFAOYSA-N -1 0 330.331 3.791 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)c2cc(Cl)ccc2F)c1F ZINC000320051413 970607408 /nfs/dbraw/zinc/60/74/08/970607408.db2.gz ZBABBYWUFNAEEP-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM O=C([O-])CC1(CNC(=O)/C=C\c2ccc(Cl)cc2)CCCCC1 ZINC000320359059 970653096 /nfs/dbraw/zinc/65/30/96/970653096.db2.gz GWKXGHKHHLXBLB-TWGQIWQCSA-N -1 0 335.831 3.895 20 0 EHADRM O=C([O-])c1ccc(OCc2nc(-c3ccccc3)no2)c(Cl)c1 ZINC000320436782 970663663 /nfs/dbraw/zinc/66/36/63/970663663.db2.gz CBTOKXNFQQUXSV-UHFFFAOYSA-N -1 0 330.727 3.667 20 0 EHADRM C[C@@H](c1ccccc1)N(C)C(=O)CSc1ccc(C(=O)[O-])cc1 ZINC000320553309 970677874 /nfs/dbraw/zinc/67/78/74/970677874.db2.gz DKAUTWQXULQBKV-ZDUSSCGKSA-N -1 0 329.421 3.697 20 0 EHADRM Cc1cccc(CSCC(=O)Nc2ccc(F)cc2C(=O)[O-])c1 ZINC000320699992 970701540 /nfs/dbraw/zinc/70/15/40/970701540.db2.gz RSFSMHXZHCYMDE-UHFFFAOYSA-N -1 0 333.384 3.704 20 0 EHADRM COc1ccc(C(=O)[O-])c(OCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000321059775 970739579 /nfs/dbraw/zinc/73/95/79/970739579.db2.gz XZIZJKAOEPEPJT-UHFFFAOYSA-N -1 0 337.715 3.534 20 0 EHADRM Cc1c2occ(CC(=O)Nc3cc(C(=O)[O-])ccn3)c2ccc1Cl ZINC001600016255 970749983 /nfs/dbraw/zinc/74/99/83/970749983.db2.gz VTIURRZHHYGEAI-UHFFFAOYSA-N -1 0 344.754 3.669 20 0 EHADRM Cc1c(NCC(C)(C)C)cccc1C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC001600052497 970751640 /nfs/dbraw/zinc/75/16/40/970751640.db2.gz GNJQMOQOTNEXQA-MRXNPFEDSA-N -1 0 332.444 3.532 20 0 EHADRM Cc1sc2ncnc(N(C)Cc3ccc(C(=O)[O-])cc3)c2c1C ZINC000321284870 970757774 /nfs/dbraw/zinc/75/77/74/970757774.db2.gz JCIYXNGMPPHDDM-UHFFFAOYSA-N -1 0 327.409 3.643 20 0 EHADRM CN(CCC(=O)[O-])C(=O)Nc1cccc(-c2ccc(F)c(F)c2)c1 ZINC001604143122 972548327 /nfs/dbraw/zinc/54/83/27/972548327.db2.gz KYUOABRJZSCKAV-UHFFFAOYSA-N -1 0 334.322 3.570 20 0 EHADRM Cc1cc2ccccc2n1CC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000393013527 972555047 /nfs/dbraw/zinc/55/50/47/972555047.db2.gz WUVNKERKBSYIQF-UHFFFAOYSA-N -1 0 344.317 3.565 20 0 EHADRM C[C@@H](NC(=O)/C=C/c1cccc(-c2ccc(Cl)cc2)c1)C(=O)[O-] ZINC001604989154 972581209 /nfs/dbraw/zinc/58/12/09/972581209.db2.gz OPZYGINRXFZBFQ-SBKJXLNCSA-N -1 0 329.783 3.610 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)Nc2cc(C3CCCCCC3)[nH]n2)c1 ZINC001605845270 972585063 /nfs/dbraw/zinc/58/50/63/972585063.db2.gz OBTQSNXHYHMVKO-UHFFFAOYSA-N -1 0 343.387 3.585 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2ccc(-c3ccco3)cc2F)CCCC1 ZINC001605847169 972593398 /nfs/dbraw/zinc/59/33/98/972593398.db2.gz YQLFYCXOJVVKCJ-UHFFFAOYSA-N -1 0 332.331 3.605 20 0 EHADRM O=C(Nc1cccc(-c2ccc(F)c(F)c2)c1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605857596 972609420 /nfs/dbraw/zinc/60/94/20/972609420.db2.gz USNFVICEFPJJJU-XBXGTLAGSA-N -1 0 346.333 3.617 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2cccc3c2ccn3C(F)F)CCCC1 ZINC001605860543 972610776 /nfs/dbraw/zinc/61/07/76/972610776.db2.gz BUTDTSVAEVTENV-UHFFFAOYSA-N -1 0 337.326 3.555 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC001605862952 972616409 /nfs/dbraw/zinc/61/64/09/972616409.db2.gz DDMABYCUTIYJBF-GFCCVEGCSA-N -1 0 330.306 3.627 20 0 EHADRM C[C@H](Nc1nc(-c2cccc(Cl)c2)nc2c1CCCC2)C(=O)[O-] ZINC001605050357 972665623 /nfs/dbraw/zinc/66/56/23/972665623.db2.gz YUXDQFZUMHBUBC-JTQLQIEISA-N -1 0 331.803 3.561 20 0 EHADRM O=C([O-])[C@@H](C(=O)N1CCC(=Cc2ccccc2F)CC1)C1CCCC1 ZINC001605891651 972690554 /nfs/dbraw/zinc/69/05/54/972690554.db2.gz YYGLBRLPXWERMX-GOSISDBHSA-N -1 0 345.414 3.723 20 0 EHADRM O=C([O-])[C@@H](C(=O)N1CCC[C@H](c2ccccc2)CC1)C1CCCC1 ZINC001605892360 972691795 /nfs/dbraw/zinc/69/17/95/972691795.db2.gz BLPPEUJPRIZHKM-FUHWJXTLSA-N -1 0 329.440 3.674 20 0 EHADRM CC1(C)[C@H](C(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)[C@H]1c1ccccc1 ZINC001603336925 972717244 /nfs/dbraw/zinc/71/72/44/972717244.db2.gz YIYCFBNXDOZMOP-IKGGRYGDSA-N -1 0 341.382 3.507 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21)c1ccc(F)cc1 ZINC001605903149 972742369 /nfs/dbraw/zinc/74/23/69/972742369.db2.gz FPTWQIJILLQWME-VJUNAUMWSA-N -1 0 333.403 3.674 20 0 EHADRM O=C([O-])[C@]1(C(=O)NCCCCCCc2ccccc2)CC=CCC1 ZINC001605925548 972839727 /nfs/dbraw/zinc/83/97/27/972839727.db2.gz PSEYDIXSQMCSAM-HXUWFJFHSA-N -1 0 329.440 3.717 20 0 EHADRM C[C@H](Cc1cccs1)NC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000396346164 972858038 /nfs/dbraw/zinc/85/80/38/972858038.db2.gz BCNGEFBRWJCXDB-VXGBXAGGSA-N -1 0 332.425 3.689 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)s1 ZINC000396426240 972880754 /nfs/dbraw/zinc/88/07/54/972880754.db2.gz GSXMNAAJIGKBHH-YPMHNXCESA-N -1 0 346.452 3.997 20 0 EHADRM Cc1[nH]c2c(cc(C)cc2CNC(=O)[C@@H](C(=O)[O-])C2CCCC2)c1C ZINC001605172838 972881003 /nfs/dbraw/zinc/88/10/03/972881003.db2.gz PRLNDVYUWXYAJH-KRWDZBQOSA-N -1 0 342.439 3.600 20 0 EHADRM Cc1cc(Cl)cc(NC(=O)[C@@H](C(=O)[O-])C(C)C)c1Br ZINC001605173811 972886881 /nfs/dbraw/zinc/88/68/81/972886881.db2.gz VAKIWKUDGFVYTN-JTQLQIEISA-N -1 0 348.624 3.706 20 0 EHADRM O=C([O-])C1(CNC(=O)C2(Cc3cccs3)CCCCC2)CCC1 ZINC001605949965 972905661 /nfs/dbraw/zinc/90/56/61/972905661.db2.gz FXPHJVLPIFYIFC-UHFFFAOYSA-N -1 0 335.469 3.612 20 0 EHADRM Cc1ccccc1SCC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000396657869 972931844 /nfs/dbraw/zinc/93/18/44/972931844.db2.gz XDOZQEXWJNCAQQ-ZDUSSCGKSA-N -1 0 329.421 3.914 20 0 EHADRM CC(C)C[C@@H]1CCCN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000396760953 972936193 /nfs/dbraw/zinc/93/61/93/972936193.db2.gz LYLRRBOZAIVXLX-JTQLQIEISA-N -1 0 326.343 3.705 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)CC(F)(F)F ZINC000396960298 972955956 /nfs/dbraw/zinc/95/59/56/972955956.db2.gz ZFEXMWRIMMALPU-SSDOTTSWSA-N -1 0 338.713 3.748 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1NC(=O)N(C)CCC(=O)[O-] ZINC001605219503 972966190 /nfs/dbraw/zinc/96/61/90/972966190.db2.gz ACMUSXBZSNRZAS-UHFFFAOYSA-N -1 0 328.368 3.726 20 0 EHADRM Cc1ccc([C@H]2CCN(C(=O)Nc3ccccc3CC(=O)[O-])C2)cc1 ZINC001605263605 973043035 /nfs/dbraw/zinc/04/30/35/973043035.db2.gz ZPCCPKSJVNZHHZ-KRWDZBQOSA-N -1 0 338.407 3.644 20 0 EHADRM Cc1ccc(CCCNC(=O)N2CCC[C@H](CCC(=O)[O-])C2)c(C)c1 ZINC001605270616 973049456 /nfs/dbraw/zinc/04/94/56/973049456.db2.gz DETXVSQGFXOMFJ-QGZVFWFLSA-N -1 0 346.471 3.522 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CCNC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001603404674 973054311 /nfs/dbraw/zinc/05/43/11/973054311.db2.gz CUPZKJHJGIERED-QINHECLXSA-N -1 0 346.471 3.545 20 0 EHADRM Cc1ccc2snc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c2c1 ZINC001605318898 973150001 /nfs/dbraw/zinc/15/00/01/973150001.db2.gz NNUOVNSJLCCFIY-LBPRGKRZSA-N -1 0 334.441 3.614 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2cncc(C(=O)[O-])c2)CC12CCCCC2 ZINC001603425956 973152533 /nfs/dbraw/zinc/15/25/33/973152533.db2.gz WCCOSBXIRJYSOF-ZDUSSCGKSA-N -1 0 331.416 3.604 20 0 EHADRM O=C([O-])/C=C/c1cc(-c2nc(Cc3ccccc3Cl)no2)co1 ZINC001606056332 973168751 /nfs/dbraw/zinc/16/87/51/973168751.db2.gz VHPJDUVAMMEDLO-AATRIKPKSA-N -1 0 330.727 3.672 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)Oc2ccc(Cl)c(F)c2F)co1 ZINC001606063932 973195757 /nfs/dbraw/zinc/19/57/57/973195757.db2.gz FYHUHCCHXAVNCG-DAFODLJHSA-N -1 0 328.654 3.528 20 0 EHADRM CC(C)SCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001603435061 973202468 /nfs/dbraw/zinc/20/24/68/973202468.db2.gz XDUKATCPYAHUJF-VIFPVBQESA-N -1 0 327.471 3.651 20 0 EHADRM Cc1cccc(C)c1CN(C)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001605335818 973221823 /nfs/dbraw/zinc/22/18/23/973221823.db2.gz QGFRNMMMLMFDMK-UHFFFAOYSA-N -1 0 326.396 3.594 20 0 EHADRM Cc1cccc(C2(CNC(=O)[C@@]3(C(=O)[O-])CC=CCC3)CCCC2)c1 ZINC001605335910 973223094 /nfs/dbraw/zinc/22/30/94/973223094.db2.gz UXSJRWVWVCWXKC-OAQYLSRUSA-N -1 0 341.451 3.734 20 0 EHADRM Cc1cccc2cc(C(=O)N3CCC[C@@H](C)[C@@H]3C(=O)[O-])c(Cl)nc12 ZINC001605349704 973246771 /nfs/dbraw/zinc/24/67/71/973246771.db2.gz BAGFJXJLGFRDCR-IAQYHMDHSA-N -1 0 346.814 3.522 20 0 EHADRM C[C@@H]1CN(C(=O)NC[C@@H]2CCCC[C@@H]2C(C)(C)C)CC[C@H]1C(=O)[O-] ZINC001603450222 973248435 /nfs/dbraw/zinc/24/84/35/973248435.db2.gz PPZHPEPDHAOCLQ-QXSJWSMHSA-N -1 0 338.492 3.591 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)NC[C@@H]2CC3CCC2CC3)cc1 ZINC000400161151 973255748 /nfs/dbraw/zinc/25/57/48/973255748.db2.gz YUOCNTJWBVBVTH-GPANFISMSA-N -1 0 330.428 3.652 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)Cc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000400439742 973278925 /nfs/dbraw/zinc/27/89/25/973278925.db2.gz KJZOYWZEFNDLCA-ZANVPECISA-N -1 0 332.227 3.542 20 0 EHADRM Cc1ccnc2ccc(C(=O)N[C@H]3C[C@H](C(=O)[O-])c4ccccc43)cc12 ZINC001605366103 973301602 /nfs/dbraw/zinc/30/16/02/973301602.db2.gz XVOGQFBSYNFKHW-HKUYNNGSSA-N -1 0 346.386 3.586 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)CCSc1ccc(C)c(C)c1)C(=O)[O-] ZINC000400755886 973312530 /nfs/dbraw/zinc/31/25/30/973312530.db2.gz XJFVTRGAXLSWIQ-WBMJQRKESA-N -1 0 337.485 3.791 20 0 EHADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)Oc2cccc(C3CCCC3)c2)CO1 ZINC001606116786 973344722 /nfs/dbraw/zinc/34/47/22/973344722.db2.gz OQDBVIRZKLCCHP-JKSUJKDBSA-N -1 0 332.396 3.520 20 0 EHADRM Cc1csc(-c2ccc(NC(=O)NC3(C(=O)[O-])CCCC3)cc2)n1 ZINC001605381768 973344945 /nfs/dbraw/zinc/34/49/45/973344945.db2.gz UDNINMOIIYOSQJ-UHFFFAOYSA-N -1 0 345.424 3.637 20 0 EHADRM C[C@@H]1Cc2c(C(=O)[O-])c(NC(=O)C3(F)CCCC3)sc2[C@H](C)O1 ZINC001603474631 973357306 /nfs/dbraw/zinc/35/73/06/973357306.db2.gz DDGIRRDMGCOWGH-BDAKNGLRSA-N -1 0 341.404 3.689 20 0 EHADRM CC[C@H](CNC(=O)N[C@@H]1CCCc2ccc(C(C)C)cc21)C(=O)[O-] ZINC001603565753 973686695 /nfs/dbraw/zinc/68/66/95/973686695.db2.gz JKSSNBYWWTWNRO-CXAGYDPISA-N -1 0 332.444 3.597 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)NCc2cccc(C(F)F)c2)c1 ZINC001606312450 973727762 /nfs/dbraw/zinc/72/77/62/973727762.db2.gz QPFGXEDGPZEDIG-UHFFFAOYSA-N -1 0 334.322 3.573 20 0 EHADRM CC[C@H](NC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C)c1ccc(F)cc1F ZINC001603579049 973736671 /nfs/dbraw/zinc/73/66/71/973736671.db2.gz UQRVHTGXZMWCFL-ZDUSSCGKSA-N -1 0 339.382 3.669 20 0 EHADRM CC[C@H](NC(=O)NCc1ccccc1C(=O)[O-])c1cc(F)ccc1F ZINC001603582281 973741049 /nfs/dbraw/zinc/74/10/49/973741049.db2.gz HFEVPRWNEQTWFM-INIZCTEOSA-N -1 0 348.349 3.614 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1sccc1-c1ccccc1)CC1CC1 ZINC000405257511 973805816 /nfs/dbraw/zinc/80/58/16/973805816.db2.gz LPGQFZDYSURNTD-CQSZACIVSA-N -1 0 329.421 3.646 20 0 EHADRM O=C([O-])[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccccc2F)cc1 ZINC001606380809 973830138 /nfs/dbraw/zinc/83/01/38/973830138.db2.gz IDKHQNWURVDHFD-HNNXBMFYSA-N -1 0 344.342 3.699 20 0 EHADRM CC(C)c1cccc2c1CCN(C(=O)NCCCCCC(=O)[O-])C2 ZINC000414626265 973942563 /nfs/dbraw/zinc/94/25/63/973942563.db2.gz LUHBAGZEIORDFG-UHFFFAOYSA-N -1 0 332.444 3.523 20 0 EHADRM CC(C)(CNC(=O)NCCCCCC(=O)[O-])c1cccc(Cl)c1 ZINC000414625999 973942744 /nfs/dbraw/zinc/94/27/44/973942744.db2.gz YZTLRBWEHLHLBG-UHFFFAOYSA-N -1 0 340.851 3.562 20 0 EHADRM CCCCN(CC)c1ccc(C(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])cc1 ZINC001603647349 974003886 /nfs/dbraw/zinc/00/38/86/974003886.db2.gz HSEZMKGOHVRQQA-QAPCUYQASA-N -1 0 346.471 3.638 20 0 EHADRM CCCCOc1ccc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])cn1 ZINC001603652461 974013867 /nfs/dbraw/zinc/01/38/67/974013867.db2.gz GOUGYONSFBZCLR-HNNXBMFYSA-N -1 0 349.431 3.512 20 0 EHADRM CCCCOc1ccc(NC(=O)C2(C(=O)[O-])CCCCCC2)cn1 ZINC001603652561 974015509 /nfs/dbraw/zinc/01/55/09/974015509.db2.gz PETAPGGGOHLCSC-UHFFFAOYSA-N -1 0 334.416 3.624 20 0 EHADRM CSc1ccc(NC(=O)NCCC(C)(C)C(=O)[O-])cc1Cl ZINC000424382602 974023397 /nfs/dbraw/zinc/02/33/97/974023397.db2.gz OGVNXNFQZUIRBH-UHFFFAOYSA-N -1 0 330.837 3.684 20 0 EHADRM Cc1c(Cl)cc(F)c(NC(=O)NCCC(C)(C)C(=O)[O-])c1F ZINC000424382655 974023467 /nfs/dbraw/zinc/02/34/67/974023467.db2.gz OMDDUAZVDQIZPY-UHFFFAOYSA-N -1 0 334.750 3.549 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)c1cc(C(F)(F)F)cnc1Cl ZINC001606523021 974024890 /nfs/dbraw/zinc/02/48/90/974024890.db2.gz VYKQBZHXQCNYHO-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM Cc1oc(CN(C)C(=O)c2cc(C)ccc2C2CC2)cc1C(=O)[O-] ZINC000425243490 974040877 /nfs/dbraw/zinc/04/08/77/974040877.db2.gz FPRZDDUVTVTSEP-UHFFFAOYSA-N -1 0 327.380 3.744 20 0 EHADRM COc1ccc(CNC(=O)c2cc(C)ccc2C2CC2)cc1C(=O)[O-] ZINC000425247213 974041032 /nfs/dbraw/zinc/04/10/32/974041032.db2.gz NLDLRSPZGZEGIQ-UHFFFAOYSA-N -1 0 339.391 3.509 20 0 EHADRM O=C([O-])c1ccccc1OCC[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC001606528993 974041078 /nfs/dbraw/zinc/04/10/78/974041078.db2.gz MJMYBLZZYURADH-UHFFFAOYSA-N -1 0 347.361 3.711 20 0 EHADRM C[C@@H]1CCC[C@@H](C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)C1 ZINC000427775757 974059064 /nfs/dbraw/zinc/05/90/64/974059064.db2.gz VGGFXIBFIZAEBG-QIJZBDPFSA-N -1 0 349.858 3.793 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)o1 ZINC001605668096 974070089 /nfs/dbraw/zinc/07/00/89/974070089.db2.gz OBBYISDWZBOUIL-XTMOMXOZSA-N -1 0 345.782 3.707 20 0 EHADRM COc1ccc(SCCC(=O)Nc2sccc2C(=O)[O-])cc1 ZINC001604829384 974073789 /nfs/dbraw/zinc/07/37/89/974073789.db2.gz XRMJLLUXPYAGIJ-UHFFFAOYSA-N -1 0 337.422 3.576 20 0 EHADRM O=C([O-])C1(CNC(=O)c2ccc(-c3ccc(F)cc3)o2)CCCCC1 ZINC000431857172 974077530 /nfs/dbraw/zinc/07/75/30/974077530.db2.gz KUKIYTNZTQBUGX-UHFFFAOYSA-N -1 0 345.370 3.851 20 0 EHADRM CCCCOc1ccc(C(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])cc1 ZINC000431888494 974078263 /nfs/dbraw/zinc/07/82/63/974078263.db2.gz XCRFICJNTOJJOS-LPHOPBHVSA-N -1 0 333.428 3.629 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC000431982179 974079404 /nfs/dbraw/zinc/07/94/04/974079404.db2.gz PMOZWQUGOODIHK-CQSZACIVSA-N -1 0 335.419 3.640 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)N(C)C3(C(=O)[O-])CCCCC3)c2c1 ZINC000431983329 974080728 /nfs/dbraw/zinc/08/07/28/974080728.db2.gz UYEDBQGPRFXIDB-UHFFFAOYSA-N -1 0 342.439 3.655 20 0 EHADRM CCCc1[nH]ccc1C(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21 ZINC001603692255 974086352 /nfs/dbraw/zinc/08/63/52/974086352.db2.gz XFXFHGLHLCYVQA-AWEZNQCLSA-N -1 0 340.423 3.651 20 0 EHADRM Cc1cc2cc(C(=O)N[C@]3(C)CCCC[C@H]3C(=O)[O-])oc2cc1C ZINC000432139403 974092649 /nfs/dbraw/zinc/09/26/49/974092649.db2.gz KXWQWBWXPBINIJ-IFXJQAMLSA-N -1 0 329.396 3.813 20 0 EHADRM COc1cccc([C@H](C)NC(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC001604856894 974099584 /nfs/dbraw/zinc/09/95/84/974099584.db2.gz HELCEXOGWQVEJG-ZDUSSCGKSA-N -1 0 342.395 3.595 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000439920466 974113072 /nfs/dbraw/zinc/11/30/72/974113072.db2.gz MJFJPGWWAYJLSO-BLLLJJGKSA-N -1 0 331.799 3.840 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N[C@@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC000450524808 974147312 /nfs/dbraw/zinc/14/73/12/974147312.db2.gz PBCHKBSEBNYSGO-IBGZPJMESA-N -1 0 347.386 3.970 20 0 EHADRM CC(C)(CC(=O)N[C@@](C)(CC(=O)[O-])c1cccc(F)c1)C(F)(F)F ZINC000450526997 974148780 /nfs/dbraw/zinc/14/87/80/974148780.db2.gz XJWOLZXLRUAFHZ-HNNXBMFYSA-N -1 0 349.324 3.610 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N[C@H](CC(C)C)c1cccs1 ZINC000455840877 974153651 /nfs/dbraw/zinc/15/36/51/974153651.db2.gz FPZATHZECNUCCX-GFCCVEGCSA-N -1 0 335.425 3.794 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)N[C@@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000455895498 974164649 /nfs/dbraw/zinc/16/46/49/974164649.db2.gz COLHYMSGSDBQNM-SUMWQHHRSA-N -1 0 345.826 3.710 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@H]2C[C@]23CCCc2ccccc23)c1 ZINC000467943434 974192854 /nfs/dbraw/zinc/19/28/54/974192854.db2.gz OPLIYGCKAWBHAM-KNQAVFIVSA-N -1 0 349.430 3.937 20 0 EHADRM COc1ccc(Cl)cc1CC(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000471999217 974199594 /nfs/dbraw/zinc/19/95/94/974199594.db2.gz RYMULZYSXMSVFU-UHFFFAOYSA-N -1 0 347.798 3.845 20 0 EHADRM CCOc1ccc(OCC)c(NC(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000478855024 974211981 /nfs/dbraw/zinc/21/19/81/974211981.db2.gz ZIIFRENETOPIMU-UHFFFAOYSA-N -1 0 347.342 3.574 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000486021973 974244124 /nfs/dbraw/zinc/24/41/24/974244124.db2.gz WYKFEKYJDQYTMR-KDOFPFPSSA-N -1 0 329.440 3.804 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)/C=C\SCc2ccco2)cc1)C(=O)[O-] ZINC000493710218 974260262 /nfs/dbraw/zinc/26/02/62/974260262.db2.gz CDQFJGFPQWIVLK-KJJQSCHISA-N -1 0 345.420 3.928 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)s1 ZINC000512750222 974288252 /nfs/dbraw/zinc/28/82/52/974288252.db2.gz UTWJJGIQQLTRCL-UONOGXRCSA-N -1 0 329.421 3.903 20 0 EHADRM O=C([O-])c1cnoc1CN(Cc1c(F)cccc1F)C1CCCC1 ZINC000514610299 974289985 /nfs/dbraw/zinc/28/99/85/974289985.db2.gz UXYMGGDKFAXBGK-UHFFFAOYSA-N -1 0 336.338 3.596 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000520612865 974340061 /nfs/dbraw/zinc/34/00/61/974340061.db2.gz ZEIQRMNGXQMQOD-CPUCHLNUSA-N -1 0 333.428 3.799 20 0 EHADRM CSc1ccc(CCCC(=O)NCc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000522003821 974348920 /nfs/dbraw/zinc/34/89/20/974348920.db2.gz MYKISRZQBSKCCI-UHFFFAOYSA-N -1 0 347.436 3.647 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000525979313 974349737 /nfs/dbraw/zinc/34/97/37/974349737.db2.gz RTVJENOKHGXQQA-KRWDZBQOSA-N -1 0 325.408 3.911 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N3CCC(F)(F)C[C@H]3C)c12 ZINC000530177362 974363817 /nfs/dbraw/zinc/36/38/17/974363817.db2.gz GTXBLVJQNNRUOK-SSDOTTSWSA-N -1 0 341.383 3.630 20 0 EHADRM O=C([O-])CC1(NC(=O)c2ccc(-c3ccc(F)cc3)o2)CCCCC1 ZINC000531999909 974369646 /nfs/dbraw/zinc/36/96/46/974369646.db2.gz FYBZMAWQTFHDKS-UHFFFAOYSA-N -1 0 345.370 3.993 20 0 EHADRM C[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)c1ccccc1C(F)(F)F ZINC000535621953 974379602 /nfs/dbraw/zinc/37/96/02/974379602.db2.gz UQFZKAWABJBMQU-SNVBAGLBSA-N -1 0 337.297 3.895 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)CCCOc1ccc(C)c(C)c1 ZINC000538472958 974389220 /nfs/dbraw/zinc/38/92/20/974389220.db2.gz GUVRWMJJWNINMK-UHFFFAOYSA-N -1 0 335.444 3.612 20 0 EHADRM COc1cccc(F)c1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000538505748 974389835 /nfs/dbraw/zinc/38/98/35/974389835.db2.gz LUVLKPOBKAOAAY-UHFFFAOYSA-N -1 0 345.351 4.000 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)Cc2cccc(C(=O)[O-])c2)cc1C ZINC000539675248 974397294 /nfs/dbraw/zinc/39/72/94/974397294.db2.gz CKMRDJGVZOGRON-IBGZPJMESA-N -1 0 337.419 3.908 20 0 EHADRM O=C([O-])CC1(CNC(=O)CCc2cccc(Cl)c2)CCCCC1 ZINC000539676436 974398226 /nfs/dbraw/zinc/39/82/26/974398226.db2.gz PWSWGSZIFJTBIV-UHFFFAOYSA-N -1 0 337.847 3.814 20 0 EHADRM COc1ccc2oc(C(=O)Nc3ccc(CC(=O)[O-])cc3)c(C)c2c1 ZINC000542504354 974415260 /nfs/dbraw/zinc/41/52/60/974415260.db2.gz LOICUDTUUUYGEP-UHFFFAOYSA-N -1 0 339.347 3.629 20 0 EHADRM CCCn1c(C(=O)N2CCC(CCC(=O)[O-])CC2)cc2ccccc21 ZINC000562697117 974509198 /nfs/dbraw/zinc/50/91/98/974509198.db2.gz ZAISQDPDXNQQSY-UHFFFAOYSA-N -1 0 342.439 3.768 20 0 EHADRM O=C([O-])C1(N(Cc2csc(-c3ccsc3)n2)C2CC2)CCC1 ZINC000565490021 974582780 /nfs/dbraw/zinc/58/27/80/974582780.db2.gz FEBVEOROPFDYOQ-UHFFFAOYSA-N -1 0 334.466 3.843 20 0 EHADRM O=C([O-])CCC1CCN(c2ncccc2OCc2ccccc2)CC1 ZINC000565661339 974585656 /nfs/dbraw/zinc/58/56/56/974585656.db2.gz RTVSDCBKBMLMHX-UHFFFAOYSA-N -1 0 340.423 3.742 20 0 EHADRM Cc1ccccc1C1CC(N(C(=O)C[C@@H](C)CC(=O)[O-])C2CC2)C1 ZINC000566481802 974612619 /nfs/dbraw/zinc/61/26/19/974612619.db2.gz CASAARRAFAFUJA-BZOOQXSSSA-N -1 0 329.440 3.733 20 0 EHADRM O=C([O-])CN(Cc1csc(C2CC2)n1)Cc1ccc(Cl)cc1 ZINC000568067107 974659118 /nfs/dbraw/zinc/65/91/18/974659118.db2.gz MIESGVJBIICBSU-UHFFFAOYSA-N -1 0 336.844 3.761 20 0 EHADRM CC[C@H](CSC)[N@H+](C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000568404574 974670288 /nfs/dbraw/zinc/67/02/88/974670288.db2.gz ZQCNKPCYUORKMO-OAHLLOKOSA-N -1 0 334.441 3.613 20 0 EHADRM COc1ccc(C[C@@H](C)CNc2cccc(CC(=O)[O-])c2)cc1F ZINC000569329914 974689078 /nfs/dbraw/zinc/68/90/78/974689078.db2.gz ZHJFZSNETSCQLQ-CYBMUJFWSA-N -1 0 331.387 3.752 20 0 EHADRM Cc1ccccc1[C@H](C(=O)[O-])N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000569700537 974696714 /nfs/dbraw/zinc/69/67/14/974696714.db2.gz AZKQCJYPOXEDOW-ATZDWAIDSA-N -1 0 325.408 3.583 20 0 EHADRM CC(C)c1ccc(C(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)cc1 ZINC000570634712 974715866 /nfs/dbraw/zinc/71/58/66/974715866.db2.gz FGLYEOJXISPDBT-OAQYLSRUSA-N -1 0 337.419 3.679 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)[C@@H]2CCc3ccccc3C2)cc1)C(=O)[O-] ZINC000572008624 974739985 /nfs/dbraw/zinc/73/99/85/974739985.db2.gz XKITTZIVGLBZCP-RDTXWAMCSA-N -1 0 337.419 3.693 20 0 EHADRM COc1ccc2c(c1)C1(CC1)C[N@H+]([C@H](C(=O)[O-])c1ccccc1F)C2 ZINC000572967592 974756710 /nfs/dbraw/zinc/75/67/10/974756710.db2.gz MHQISUPDTLBPTQ-SFHVURJKSA-N -1 0 341.382 3.507 20 0 EHADRM COc1ccc2c(c1)C1(CC1)C[N@H+]([C@@H](C(=O)[O-])c1ccccc1F)C2 ZINC000572967591 974756966 /nfs/dbraw/zinc/75/69/66/974756966.db2.gz MHQISUPDTLBPTQ-GOSISDBHSA-N -1 0 341.382 3.507 20 0 EHADRM CO[C@@H](C[N@H+](C)Cc1cc(C(=O)[O-])c(C)o1)c1ccc(Cl)cc1 ZINC000574047038 974776165 /nfs/dbraw/zinc/77/61/65/974776165.db2.gz QJXBUTLUQZNFQA-INIZCTEOSA-N -1 0 337.803 3.759 20 0 EHADRM O=C([O-])Cc1cccc(-c2cc(F)ccc2OC[C@@H]2CCOC2)c1 ZINC000574705365 974787778 /nfs/dbraw/zinc/78/77/78/974787778.db2.gz YHDQTEQEFUGQOG-CQSZACIVSA-N -1 0 330.355 3.535 20 0 EHADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1ccc(CSc2ccccc2)cc1 ZINC000579860289 974884443 /nfs/dbraw/zinc/88/44/43/974884443.db2.gz BTINOZFLNIODMF-WKILWMFISA-N -1 0 341.432 3.572 20 0 EHADRM CCCC[C@H](Sc1cc(CC)nc(-c2ccncc2)n1)C(=O)[O-] ZINC000580217203 974891376 /nfs/dbraw/zinc/89/13/76/974891376.db2.gz VYBSKQABMCNOEX-AWEZNQCLSA-N -1 0 331.441 3.837 20 0 EHADRM CCC[C@H]1CN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)CCO1 ZINC000580336735 974892748 /nfs/dbraw/zinc/89/27/48/974892748.db2.gz YSFZNJWJJQKQEW-INIZCTEOSA-N -1 0 346.452 3.509 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000583418391 974940521 /nfs/dbraw/zinc/94/05/21/974940521.db2.gz CMPSOAXMFAZEFN-NXHRZFHOSA-N -1 0 331.456 3.795 20 0 EHADRM CCCN(Cc1c(F)cccc1Cl)C(=O)C[C@@H](C)CC(=O)[O-] ZINC000583763803 974945296 /nfs/dbraw/zinc/94/52/96/974945296.db2.gz KVBCFNJFRCONFJ-LLVKDONJSA-N -1 0 329.799 3.719 20 0 EHADRM CCCN(Cc1c(F)cccc1Cl)C(=O)C[C@H](C)CC(=O)[O-] ZINC000583763804 974945755 /nfs/dbraw/zinc/94/57/55/974945755.db2.gz KVBCFNJFRCONFJ-NSHDSACASA-N -1 0 329.799 3.719 20 0 EHADRM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)C[C@@H](C)CC(=O)[O-] ZINC000583823499 974946104 /nfs/dbraw/zinc/94/61/04/974946104.db2.gz ZJLCSUGJQBIQOM-PWSUYJOCSA-N -1 0 326.462 3.595 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)CC1CC(c3ccccc3)C1)C2 ZINC000621558612 975031349 /nfs/dbraw/zinc/03/13/49/975031349.db2.gz LPNGBIYZZVWZRY-UHFFFAOYSA-N -1 0 335.403 3.811 20 0 EHADRM Cc1csc(-c2cccc(C(=O)N(CC(=O)[O-])C3CCCC3)c2)n1 ZINC000621574682 975037141 /nfs/dbraw/zinc/03/71/41/975037141.db2.gz CPKPBKVXERXNRK-UHFFFAOYSA-N -1 0 344.436 3.588 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)Cc1cccc3ccccc31)C2 ZINC000621578509 975038548 /nfs/dbraw/zinc/03/85/48/975038548.db2.gz SJANVIRDDIVHSG-UHFFFAOYSA-N -1 0 345.398 3.665 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1ccoc1C1CC1 ZINC000621583216 975042898 /nfs/dbraw/zinc/04/28/98/975042898.db2.gz JAPVJKGOCGNKIM-ZBFHGGJFSA-N -1 0 331.412 3.653 20 0 EHADRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)c1ccoc1C1CC1 ZINC000621583214 975043042 /nfs/dbraw/zinc/04/30/42/975043042.db2.gz JAPVJKGOCGNKIM-GOEBONIOSA-N -1 0 331.412 3.653 20 0 EHADRM Cc1cc(C(=O)N2CCC(c3ccc(F)c(F)c3)CC2)oc1C(=O)[O-] ZINC000630115743 975107712 /nfs/dbraw/zinc/10/77/12/975107712.db2.gz JIZDUPBBADIQSG-UHFFFAOYSA-N -1 0 349.333 3.584 20 0 EHADRM Cc1cccc([C@@H]2CCCCCN2C(=O)c2cncc(C(=O)[O-])c2)c1 ZINC000630120200 975110068 /nfs/dbraw/zinc/11/00/68/975110068.db2.gz ROXOZMOZYFOQPQ-SFHVURJKSA-N -1 0 338.407 3.846 20 0 EHADRM Cc1ccc(C)c(S([O-])=CC(=O)N(Cc2ccccc2)C(C)C)c1 ZINC000107966578 1014236756 /nfs/dbraw/zinc/23/67/56/1014236756.db2.gz BHKPDZKPWNDDSG-DEOSSOPVSA-N -1 0 343.492 3.848 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)CC1CCC(F)(F)CC1)c1ccccc1 ZINC000630130475 975115542 /nfs/dbraw/zinc/11/55/42/975115542.db2.gz KCVKJAHAWXTRDY-LRDDRELGSA-N -1 0 339.382 3.780 20 0 EHADRM CC(C)(C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)[C@@H]1CCCCO1 ZINC000630133691 975118660 /nfs/dbraw/zinc/11/86/60/975118660.db2.gz HNBFZMALOHRQGE-ZDUSSCGKSA-N -1 0 325.792 3.572 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000630135575 975120734 /nfs/dbraw/zinc/12/07/34/975120734.db2.gz PWKXNFLNXNEXMY-MSOLQXFVSA-N -1 0 341.382 3.676 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C(C)(C)[C@H]2CCCCO2)cc1 ZINC000630142313 975126536 /nfs/dbraw/zinc/12/65/36/975126536.db2.gz LTKRYAISVMWISZ-OAHLLOKOSA-N -1 0 333.428 3.583 20 0 EHADRM Cc1cc(C(=O)N2CC[C@@H](C)[C@@H]2c2cccc(F)c2)oc1C(=O)[O-] ZINC000630152332 975132020 /nfs/dbraw/zinc/13/20/20/975132020.db2.gz JELLUUHPNQVCJM-MEBBXXQBSA-N -1 0 331.343 3.649 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000630184759 975146209 /nfs/dbraw/zinc/14/62/09/975146209.db2.gz RWBQHENNXAEPEW-HUUCEWRRSA-N -1 0 339.391 3.916 20 0 EHADRM O=C([O-])c1ccc([C@@H](NC(=O)[C@@H]2CCCC23CC3)C(F)(F)F)cc1 ZINC000630191124 975150634 /nfs/dbraw/zinc/15/06/34/975150634.db2.gz QMTALLXYWHRFRQ-QWHCGFSZSA-N -1 0 341.329 3.685 20 0 EHADRM CSc1cc(C(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)co1 ZINC000630196847 975154776 /nfs/dbraw/zinc/15/47/76/975154776.db2.gz MOXUNNGAJMEAJM-CQSZACIVSA-N -1 0 339.457 3.935 20 0 EHADRM CSc1cc(C(=O)NC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)co1 ZINC000630205647 975158960 /nfs/dbraw/zinc/15/89/60/975158960.db2.gz CBIAIVPQUAFSTF-ZDUSSCGKSA-N -1 0 345.420 3.550 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC000630231843 975179254 /nfs/dbraw/zinc/17/92/54/975179254.db2.gz FPBLUWPTCPNXDK-QGZVFWFLSA-N -1 0 343.448 3.501 20 0 EHADRM CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC000630255206 975197878 /nfs/dbraw/zinc/19/78/78/975197878.db2.gz FMLUSYXAGRHGHO-ZJUUUORDSA-N -1 0 329.343 3.649 20 0 EHADRM CCC[C@H](C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1)C(C)C ZINC000630259867 975203592 /nfs/dbraw/zinc/20/35/92/975203592.db2.gz DLRHAUKKULEJNW-AAEUAGOBSA-N -1 0 325.380 3.688 20 0 EHADRM CC1(C)[C@H](c2ccc(F)cc2)CCN1C(=O)c1cccc(C(=O)[O-])c1 ZINC000630267207 975211166 /nfs/dbraw/zinc/21/11/66/975211166.db2.gz HSJJQGBONXAQBD-KRWDZBQOSA-N -1 0 341.382 3.932 20 0 EHADRM CC1(C)[C@H](c2cccc(F)c2)CCN1C(=O)c1cc(C(=O)[O-])co1 ZINC000630275658 975220353 /nfs/dbraw/zinc/22/03/53/975220353.db2.gz RDIRUXMFRGCTPB-AWEZNQCLSA-N -1 0 331.343 3.525 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C3CCC3)CC2)[C@@H]2CCC[C@H]21 ZINC000630284574 975228980 /nfs/dbraw/zinc/22/89/80/975228980.db2.gz NUWYUFJVTCUNII-NNPSNHGLSA-N -1 0 333.472 3.695 20 0 EHADRM Cc1cccc2cc(C(=O)N3CC[C@H](C(=O)[O-])[C@@H]4CCC[C@@H]43)sc21 ZINC000630286726 975230774 /nfs/dbraw/zinc/23/07/74/975230774.db2.gz YNTBSLKRQYOJST-KKUMJFAQSA-N -1 0 343.448 3.925 20 0 EHADRM Cc1cccc(CN(Cc2ccco2)C(=O)C[C@@H](C)CC(=O)[O-])c1 ZINC000630288831 975232569 /nfs/dbraw/zinc/23/25/69/975232569.db2.gz OVJXFYGQSBIQSD-OAHLLOKOSA-N -1 0 329.396 3.618 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000630294898 975235131 /nfs/dbraw/zinc/23/51/31/975235131.db2.gz SRAMTLARKVBNOI-SJLPKXTDSA-N -1 0 337.419 3.770 20 0 EHADRM CC[C@H](c1ccccc1OC)N(C)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000630295222 975235228 /nfs/dbraw/zinc/23/52/28/975235228.db2.gz DOZPZLBRWAMTGY-QGZVFWFLSA-N -1 0 341.407 3.546 20 0 EHADRM CC[C@@H](CSc1ccccc1)NC(=O)c1cc(C(=O)[O-])oc1C ZINC000630296474 975236280 /nfs/dbraw/zinc/23/62/80/975236280.db2.gz DKBLTCLSQRCNJS-LBPRGKRZSA-N -1 0 333.409 3.587 20 0 EHADRM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)c1cccc(C(C)(C)C)c1 ZINC000630331834 975260247 /nfs/dbraw/zinc/26/02/47/975260247.db2.gz PTXNSCTUCWLYSN-UHFFFAOYSA-N -1 0 343.427 3.524 20 0 EHADRM C[C@H](Cc1ccc(NCc2ccnn2CC2CCC2)cc1)C(=O)[O-] ZINC000630459183 975265481 /nfs/dbraw/zinc/26/54/81/975265481.db2.gz LGELQHKCVDIXKM-CQSZACIVSA-N -1 0 327.428 3.559 20 0 EHADRM C[C@@H](NC(=O)C[C@H](C)CC(=O)[O-])[C@H](C)c1ccccc1C(F)(F)F ZINC000634828345 975277670 /nfs/dbraw/zinc/27/76/70/975277670.db2.gz UCWYAEZVVMNYTN-SDDRHHMPSA-N -1 0 345.361 3.815 20 0 EHADRM Cc1c(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)cccc1C(=O)[O-] ZINC000642148638 975290195 /nfs/dbraw/zinc/29/01/95/975290195.db2.gz KEOZCNURZWQTMS-LBPRGKRZSA-N -1 0 345.782 3.536 20 0 EHADRM CC(C)(C)c1ccc([C@H](NC(=O)CCC(=O)[O-])C(F)(F)F)cc1 ZINC000647119883 975357311 /nfs/dbraw/zinc/35/73/11/975357311.db2.gz VHPKAIMKHBOVSL-AWEZNQCLSA-N -1 0 331.334 3.569 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CC1CC(c2ccccc2)C1)c1cccs1 ZINC000648330975 975379961 /nfs/dbraw/zinc/37/99/61/975379961.db2.gz VDJMLBGAAQFJAI-AVVWSFFYSA-N -1 0 343.448 3.964 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@@]2(C)CCc3ccccc32)cc1 ZINC000649245764 975385979 /nfs/dbraw/zinc/38/59/79/975385979.db2.gz WZGKHIPCIFHWLA-NRFANRHFSA-N -1 0 337.419 3.891 20 0 EHADRM Cc1cc(C(F)(F)F)nc(N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)n1 ZINC000649403731 975416670 /nfs/dbraw/zinc/41/66/70/975416670.db2.gz QMYQJIOQYJCCAX-NEPJUHHUSA-N -1 0 337.301 3.529 20 0 EHADRM CC(C)Nc1cccc(F)c1NC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001591672075 975432690 /nfs/dbraw/zinc/43/26/90/975432690.db2.gz LBTNTYGEECWACQ-VOTSOKGWSA-N -1 0 332.331 3.589 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1C[C@H]1C1CCCC1)c1ccc(Cl)cc1 ZINC000652063218 975463044 /nfs/dbraw/zinc/46/30/44/975463044.db2.gz GNKHGXVZKHMMHE-JYJNAYRXSA-N -1 0 335.831 3.798 20 0 EHADRM O=C([O-])CCCCC(=O)NCc1cccc(Oc2ccccc2F)c1 ZINC000652080603 975475766 /nfs/dbraw/zinc/47/57/66/975475766.db2.gz OXHHXNUEZIIZAK-UHFFFAOYSA-N -1 0 345.370 3.879 20 0 EHADRM O=C([O-])[C@H](c1ccccc1)N1CCO[C@@H](c2c(F)cccc2Cl)C1 ZINC000652436781 975532103 /nfs/dbraw/zinc/53/21/03/975532103.db2.gz ZHGCLHLFDFIDCH-WBVHZDCISA-N -1 0 349.789 3.678 20 0 EHADRM CC[C@H](OCC[N@@H+]1CCc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000652485909 975551297 /nfs/dbraw/zinc/55/12/97/975551297.db2.gz VBSKIULHCGOGML-FQEVSTJZSA-N -1 0 339.435 3.911 20 0 EHADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1coc2ccc(C(C)C)cc12 ZINC001591711673 975596257 /nfs/dbraw/zinc/59/62/57/975596257.db2.gz HOAAWUZCASOVRJ-INIZCTEOSA-N -1 0 347.411 3.506 20 0 EHADRM CCN(C(=O)c1cccc(CC(=O)[O-])c1)[C@@H](C)c1ccc(F)cc1 ZINC000653639016 975604280 /nfs/dbraw/zinc/60/42/80/975604280.db2.gz MSSDXFLNGVTIFT-ZDUSSCGKSA-N -1 0 329.371 3.676 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1cccc(CC(=O)[O-])c1 ZINC000653643072 975610894 /nfs/dbraw/zinc/61/08/94/975610894.db2.gz YIJLLMXXWOCPKD-LJQANCHMSA-N -1 0 339.435 3.715 20 0 EHADRM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)CCCCC(=O)[O-] ZINC000655555264 975629621 /nfs/dbraw/zinc/62/96/21/975629621.db2.gz VOLQNZREUCHKFV-OAHLLOKOSA-N -1 0 332.444 3.957 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)CCCc1ccc(F)cc1 ZINC000656231994 975647703 /nfs/dbraw/zinc/64/77/03/975647703.db2.gz JRMKJQCDARMPSY-UHFFFAOYSA-N -1 0 343.398 3.652 20 0 EHADRM CSc1cccc(C)c1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000656604176 975665645 /nfs/dbraw/zinc/66/56/45/975665645.db2.gz OJZCFFFNXIRJLO-UHFFFAOYSA-N -1 0 336.457 3.826 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc(C(F)(F)F)c2)CC2(CCC2)C1 ZINC000659119753 975715912 /nfs/dbraw/zinc/71/59/12/975715912.db2.gz DZYDZPBBQYJBGG-UHFFFAOYSA-N -1 0 327.302 3.679 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc3oc(C4CC4)nc3c2)CC2(CCC2)C1 ZINC000659120491 975717694 /nfs/dbraw/zinc/71/76/94/975717694.db2.gz WEDWHVRLDILCIR-UHFFFAOYSA-N -1 0 340.379 3.679 20 0 EHADRM Cc1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1C ZINC000659137074 975736942 /nfs/dbraw/zinc/73/69/42/975736942.db2.gz GGEWBEGKEWUUJQ-LSDHHAIUSA-N -1 0 327.355 3.883 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)[C@H]2CCCC3(CC3)C2)cc1 ZINC000659138334 975738085 /nfs/dbraw/zinc/73/80/85/975738085.db2.gz VLCJNNRPKNNYQQ-AWEZNQCLSA-N -1 0 331.412 3.839 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]2Cc2ccccc2)C1 ZINC000659142397 975742049 /nfs/dbraw/zinc/74/20/49/975742049.db2.gz OHLXRJYCTSILJB-GBESFXJTSA-N -1 0 343.467 3.749 20 0 EHADRM CC[C@](CNC(=O)[C@@H]1CCCC2(CC2)C1)(C(=O)[O-])c1ccccc1 ZINC000659161106 975760589 /nfs/dbraw/zinc/76/05/89/975760589.db2.gz RCUQSDROUPBLNR-FOIQADDNSA-N -1 0 329.440 3.506 20 0 EHADRM CC(C)Oc1c(NC(=O)N2CC[C@@H](C)[C@H](C)C2)cccc1C(=O)[O-] ZINC001591744770 975772996 /nfs/dbraw/zinc/77/29/96/975772996.db2.gz SVOMFQPUJOKDIB-CHWSQXEVSA-N -1 0 334.416 3.682 20 0 EHADRM CC(C)[C@@H](NC(=O)CCc1ccccc1C(=O)[O-])c1ccccc1F ZINC000659180034 975774674 /nfs/dbraw/zinc/77/46/74/975774674.db2.gz RAQRLMIDGRYPCR-LJQANCHMSA-N -1 0 343.398 3.970 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc3c(c2)CCC=C3)[C@@H]2CCCC[C@@H]12 ZINC000659189873 975785838 /nfs/dbraw/zinc/78/58/38/975785838.db2.gz HWLGCTDLFXIASV-IPMKNSEASA-N -1 0 339.435 3.752 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCc2ccc(Cl)cc2)[C@@H]2CCCC[C@@H]12 ZINC000659194962 975796782 /nfs/dbraw/zinc/79/67/82/975796782.db2.gz NRTDFISPVNXIDZ-GVDBMIGSSA-N -1 0 349.858 3.765 20 0 EHADRM Cc1cccc([C@H](C)C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)c1 ZINC000659194807 975797043 /nfs/dbraw/zinc/79/70/43/975797043.db2.gz NFLSUPAIYVZXSL-RANZSIQMSA-N -1 0 329.440 3.590 20 0 EHADRM O=C([O-])C[C@H](CNC(=O)CCc1ccc(Cl)cc1Cl)C1CC1 ZINC000659208005 975817050 /nfs/dbraw/zinc/81/70/50/975817050.db2.gz WUIUTSPKIQYGJQ-GFCCVEGCSA-N -1 0 344.238 3.543 20 0 EHADRM CC(C)Oc1cc(F)ccc1NC(=O)N[C@H](CC(=O)[O-])C(C)(C)C ZINC001591755326 975817077 /nfs/dbraw/zinc/81/70/77/975817077.db2.gz GJCANEUALQCMDL-CQSZACIVSA-N -1 0 340.395 3.624 20 0 EHADRM C[C@](CCF)(NC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)[O-] ZINC000659208440 975818534 /nfs/dbraw/zinc/81/85/34/975818534.db2.gz HUXSHINFXBLOSG-CQSZACIVSA-N -1 0 347.770 3.627 20 0 EHADRM CCC[C@H](C(=O)NC[C@@H](CC(=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC000659209902 975820087 /nfs/dbraw/zinc/82/00/87/975820087.db2.gz PJIDHPNLQWHREI-ZBFHGGJFSA-N -1 0 337.847 3.841 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N[C@H]1CC2CCC1CC2 ZINC001591767591 975883142 /nfs/dbraw/zinc/88/31/42/975883142.db2.gz PWTYIWAVSQAWPD-PIMMBPRGSA-N -1 0 346.427 3.872 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NCCc1ccsc1 ZINC001591769332 975891756 /nfs/dbraw/zinc/89/17/56/975891756.db2.gz KPPFHPLHJMTHKW-UHFFFAOYSA-N -1 0 348.424 3.598 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001591769700 975895942 /nfs/dbraw/zinc/89/59/42/975895942.db2.gz WPGDMZCJYGGVNB-AEGPPILISA-N -1 0 346.427 3.872 20 0 EHADRM CC(C)Oc1ccc(NC(=O)C[C@H](C)n2cccc2)c(C(=O)[O-])c1 ZINC001591781007 975949595 /nfs/dbraw/zinc/94/95/95/975949595.db2.gz PQCAFTCRYBMRKU-ZDUSSCGKSA-N -1 0 330.384 3.563 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Cc1cccc(C2CC2)c1)c1ccc(F)cc1 ZINC000668267281 975978441 /nfs/dbraw/zinc/97/84/41/975978441.db2.gz JHXKMDSBVMZZFT-SFHVURJKSA-N -1 0 341.382 3.578 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cccc([C@H]3CCCOC3)c2)c1 ZINC000668273060 975979335 /nfs/dbraw/zinc/97/93/35/975979335.db2.gz RKKKKKXPLLBBOB-INIZCTEOSA-N -1 0 325.364 3.531 20 0 EHADRM CCCC[C@H](NC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1)C(=O)[O-] ZINC000668282344 975984688 /nfs/dbraw/zinc/98/46/88/975984688.db2.gz QEZIAKNXIBMCBA-ZDUSSCGKSA-N -1 0 345.361 3.900 20 0 EHADRM CC(C)Oc1cccc(CN(C)[C@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC001591792145 975995631 /nfs/dbraw/zinc/99/56/31/975995631.db2.gz IVFAVPUVFDQQKK-GFCCVEGCSA-N -1 0 334.441 3.822 20 0 EHADRM Cc1ccc([C@@H]2CCN(C(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)C2)c(C)c1 ZINC000668322543 975997732 /nfs/dbraw/zinc/99/77/32/975997732.db2.gz ZBXPSBQGGDWXDC-GVDBMIGSSA-N -1 0 329.440 3.510 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2coc(C3CCCC3)n2)c2ccccc21 ZINC000669434363 976000729 /nfs/dbraw/zinc/00/07/29/976000729.db2.gz PVWRVKBIBAHPBX-CQSZACIVSA-N -1 0 340.379 3.551 20 0 EHADRM CCCc1nc(C)c(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC000669434816 976001418 /nfs/dbraw/zinc/00/14/18/976001418.db2.gz LDGLISSYICGBGQ-CYBMUJFWSA-N -1 0 344.436 3.623 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NCc2nc3c(s2)CCCC3)cc1 ZINC000669477607 976006802 /nfs/dbraw/zinc/00/68/02/976006802.db2.gz IQPURJLLZMCCCB-UHFFFAOYSA-N -1 0 330.453 3.996 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001591804358 976027556 /nfs/dbraw/zinc/02/75/56/976027556.db2.gz CIGPBXJGNLBWLU-UHFFFAOYSA-N -1 0 346.358 3.884 20 0 EHADRM COc1cccc([C@H](C)C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000678980075 976034205 /nfs/dbraw/zinc/03/42/05/976034205.db2.gz SGTCJVYLROHDEV-JTQLQIEISA-N -1 0 333.771 3.789 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1 ZINC000679393546 976049645 /nfs/dbraw/zinc/04/96/45/976049645.db2.gz BLXXMDAIBATJIS-UHFFFAOYSA-N -1 0 344.754 3.537 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ncccc2C(F)(F)F)ccc1Cl ZINC000683312401 976085045 /nfs/dbraw/zinc/08/50/45/976085045.db2.gz CFJSLBNNVJUYTC-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM CC(C)[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)c1)C(=O)[O-] ZINC001591894718 976268039 /nfs/dbraw/zinc/26/80/39/976268039.db2.gz UZUIVCKSWLIXSK-AWEZNQCLSA-N -1 0 337.828 3.908 20 0 EHADRM CC(C)c1cc(C(=O)Nc2c(C(=O)[O-])ccc3ccccc32)n(C)n1 ZINC001591930758 976424777 /nfs/dbraw/zinc/42/47/77/976424777.db2.gz FNJZVGTXLNBINZ-UHFFFAOYSA-N -1 0 337.379 3.647 20 0 EHADRM CC(C)c1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)c(O)c1 ZINC001591942119 976465337 /nfs/dbraw/zinc/46/53/37/976465337.db2.gz MBQGPLBPQCRQQB-HLLBOEOZSA-N -1 0 345.439 3.621 20 0 EHADRM CC(C)c1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(Cl)cc2)nc1 ZINC001591947089 976488184 /nfs/dbraw/zinc/48/81/84/976488184.db2.gz FPSFMSKQSDHGPP-OAHLLOKOSA-N -1 0 333.771 3.841 20 0 EHADRM CC(C)c1ccc(N(C)CC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC001591957448 976528815 /nfs/dbraw/zinc/52/88/15/976528815.db2.gz JFGZMQCQQKOONZ-UHFFFAOYSA-N -1 0 326.396 3.583 20 0 EHADRM CC(C)c1ccc(NC(=O)N(C)C[C@H]2CCCCO2)c(C(=O)[O-])c1 ZINC001591966035 976561891 /nfs/dbraw/zinc/56/18/91/976561891.db2.gz XRDYBQLUTUMLMG-CQSZACIVSA-N -1 0 334.416 3.541 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])CC2 ZINC001591973534 976576303 /nfs/dbraw/zinc/57/63/03/976576303.db2.gz CYZUJLWHVMVCBJ-JQHSSLGASA-N -1 0 344.455 3.740 20 0 EHADRM CC(C)c1ccc2c(c1)CCN(C(=O)c1ccsc1C(=O)[O-])C2 ZINC001591973531 976576381 /nfs/dbraw/zinc/57/63/81/976576381.db2.gz CWJIUUVHOOUSCZ-UHFFFAOYSA-N -1 0 329.421 3.768 20 0 EHADRM CC(C)c1ccc(SCC(=O)N([C@H](C)C(=O)[O-])C2CCC2)cc1 ZINC001591973980 976582699 /nfs/dbraw/zinc/58/26/99/976582699.db2.gz LPBNGGOXKYOGKN-CYBMUJFWSA-N -1 0 335.469 3.756 20 0 EHADRM CC(C)c1ccc(S[C@@H](CNC(=O)c2ccccc2)C(=O)[O-])cc1 ZINC001591974058 976584809 /nfs/dbraw/zinc/58/48/09/976584809.db2.gz PZYBDOAFYATZJD-KRWDZBQOSA-N -1 0 343.448 3.785 20 0 EHADRM CC(C)c1ccc2c(c1)CCN(C(=O)Cc1ccc(C(=O)[O-])cc1)C2 ZINC001591974606 976591577 /nfs/dbraw/zinc/59/15/77/976591577.db2.gz ZODVQJROMDDVAR-UHFFFAOYSA-N -1 0 337.419 3.636 20 0 EHADRM CC(C)c1ccc2occ(C(=O)NCc3ccc(C(=O)[O-])cn3)c2c1 ZINC001591981632 976597903 /nfs/dbraw/zinc/59/79/03/976597903.db2.gz TYFUOJRJMOYNLY-UHFFFAOYSA-N -1 0 338.363 3.579 20 0 EHADRM CC(C)c1cccc(CC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1 ZINC001591987308 976611065 /nfs/dbraw/zinc/61/10/65/976611065.db2.gz NBNVMOKKDXCKEZ-KRWDZBQOSA-N -1 0 331.456 3.702 20 0 EHADRM CC(C)c1cnc(CN[C@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)o1 ZINC001592002689 976653084 /nfs/dbraw/zinc/65/30/84/976653084.db2.gz BYPVRMJNYHWDAT-ORAYPTAESA-N -1 0 328.412 3.765 20 0 EHADRM CC(C)c1ccccc1OCCC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001592004829 976669547 /nfs/dbraw/zinc/66/95/47/976669547.db2.gz UILOIELBYFETPH-UHFFFAOYSA-N -1 0 341.407 3.845 20 0 EHADRM CC(C)c1nc(NC(=O)CCCC(=O)C(C)(C)C)sc1C(=O)[O-] ZINC001592023007 976722872 /nfs/dbraw/zinc/72/28/72/976722872.db2.gz WOQQJQJLVHCSAE-UHFFFAOYSA-N -1 0 340.445 3.689 20 0 EHADRM CC(C)c1nc(NC(=O)c2c[nH]c(C(F)(F)F)c2)sc1C(=O)[O-] ZINC001592028479 976728443 /nfs/dbraw/zinc/72/84/43/976728443.db2.gz KEYNDZNEEYPXOK-UHFFFAOYSA-N -1 0 347.318 3.564 20 0 EHADRM CC(C)c1nccn1Cc1cccc(N[C@H](C)[C@H]2C[C@H]2C(=O)[O-])c1 ZINC001592039529 976762328 /nfs/dbraw/zinc/76/23/28/976762328.db2.gz LZRDQHYCNMCGIB-KBRIMQKVSA-N -1 0 327.428 3.576 20 0 EHADRM CC(C)c1sc(NC(=O)C(C)(C)c2cccs2)nc1C(=O)[O-] ZINC001592108812 976897012 /nfs/dbraw/zinc/89/70/12/976897012.db2.gz WCWQVOUSNDPSNF-UHFFFAOYSA-N -1 0 338.454 3.943 20 0 EHADRM CC(C)c1sc(NC(=O)c2ccc3c(c2)CCC3)nc1C(=O)[O-] ZINC001592114782 976909392 /nfs/dbraw/zinc/90/93/92/976909392.db2.gz JDXDPWZBPLSSFD-UHFFFAOYSA-N -1 0 330.409 3.706 20 0 EHADRM CC(C)n1ccnc1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001592145100 977000217 /nfs/dbraw/zinc/00/02/17/977000217.db2.gz YYKDCOVREOAUPU-UHFFFAOYSA-N -1 0 329.381 3.629 20 0 EHADRM C[C@@H](CC(=O)N1CCCc2ccc(C(=O)[O-])cc21)c1cccc(F)c1 ZINC001592236433 977445468 /nfs/dbraw/zinc/44/54/68/977445468.db2.gz QAENPEIZDCMPAD-ZDUSSCGKSA-N -1 0 341.382 3.997 20 0 EHADRM C[C@H](CC(=O)N1CCCc2ccc(C(=O)[O-])cc21)c1cccc(F)c1 ZINC001592236432 977445529 /nfs/dbraw/zinc/44/55/29/977445529.db2.gz QAENPEIZDCMPAD-CYBMUJFWSA-N -1 0 341.382 3.997 20 0 EHADRM C[C@H](CC(=O)NC[C@@H](C(=O)[O-])C1CCCCC1)c1cccc(F)c1 ZINC001592245993 977472692 /nfs/dbraw/zinc/47/26/92/977472692.db2.gz MYKQKWNMRYRLSK-CXAGYDPISA-N -1 0 335.419 3.717 20 0 EHADRM C[C@@H](CC(=O)Nc1cc(C(=O)[O-])cc(Cl)c1Cl)[C@@H]1CCCO1 ZINC001592262479 977508451 /nfs/dbraw/zinc/50/84/51/977508451.db2.gz VEYTZQHCACCAGT-UFBFGSQYSA-N -1 0 346.210 3.835 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC001592371276 977892248 /nfs/dbraw/zinc/89/22/48/977892248.db2.gz QRAUIKWASFTHMR-DZJNRPSUSA-N -1 0 329.440 3.672 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC001592391601 977938776 /nfs/dbraw/zinc/93/87/76/977938776.db2.gz NGLVDRZLEIDZMX-IUCAKERBSA-N -1 0 349.761 3.620 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1nc2c(ccc3c2CCCC3)s1 ZINC001592396376 977958785 /nfs/dbraw/zinc/95/87/85/977958785.db2.gz UNJPAUWZWUCBJT-JTQLQIEISA-N -1 0 332.425 3.615 20 0 EHADRM C[C@@H](CC(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccc(N)cc1 ZINC001592424676 978046795 /nfs/dbraw/zinc/04/67/95/978046795.db2.gz VSLDLUIGOPXSBH-GTNSWQLSSA-N -1 0 347.798 3.785 20 0 EHADRM C[C@H](CC(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21)c1ccncc1 ZINC001592430202 978061822 /nfs/dbraw/zinc/06/18/22/978061822.db2.gz WBAFNUSSLQIGAV-FZKQIMNGSA-N -1 0 339.391 3.894 20 0 EHADRM C[C@@H](CC1CCCCC1)C(=O)Nc1c2cccnc2n(C)c1C(=O)[O-] ZINC001592465623 978207653 /nfs/dbraw/zinc/20/76/53/978207653.db2.gz HOCKWOHPIQHMLR-LBPRGKRZSA-N -1 0 343.427 3.817 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC001592492415 978286954 /nfs/dbraw/zinc/28/69/54/978286954.db2.gz SZFPGLVRRFNXTI-HNNXBMFYSA-N -1 0 337.419 3.933 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)O[C@H](C(=O)[O-])c1ccsc1 ZINC001592540111 978422012 /nfs/dbraw/zinc/42/20/12/978422012.db2.gz FXFLJOHLIYMIBO-ABAIWWIYSA-N -1 0 336.384 3.825 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC001592541085 978427822 /nfs/dbraw/zinc/42/78/22/978427822.db2.gz UFXOVMIHQCBJPZ-GUYCJALGSA-N -1 0 335.419 3.544 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)OCc1cccc(C(=O)[O-])c1 ZINC000738118683 978481772 /nfs/dbraw/zinc/48/17/72/978481772.db2.gz BWUMUASXMJBEKY-RAXLEYEMSA-N -1 0 326.348 3.540 20 0 EHADRM COc1ccccc1-c1ccc([C@@H](C)NC(=O)CCCC(=O)[O-])cc1 ZINC000753967266 978695510 /nfs/dbraw/zinc/69/55/10/978695510.db2.gz IQEDUBYIVZFDJA-CQSZACIVSA-N -1 0 341.407 3.794 20 0 EHADRM Cc1cc(Cl)c(C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)cc1C ZINC000761622345 978711852 /nfs/dbraw/zinc/71/18/52/978711852.db2.gz YTULAGINPQDPMR-MRXNPFEDSA-N -1 0 331.799 3.855 20 0 EHADRM Cc1nc2ccccc2cc1C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000761980213 978717158 /nfs/dbraw/zinc/71/71/58/978717158.db2.gz WRWODADUQMZPFP-HNNXBMFYSA-N -1 0 340.423 3.506 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000762221166 978718871 /nfs/dbraw/zinc/71/88/71/978718871.db2.gz LETSMCPXNDHNEI-SGTLLEGYSA-N -1 0 333.359 3.644 20 0 EHADRM C[C@]1(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CCCc2ccccc21 ZINC000767094999 978734327 /nfs/dbraw/zinc/73/43/27/978734327.db2.gz CDXGIZNYGBWFTE-IBGZPJMESA-N -1 0 327.355 3.757 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1cccc(Oc2nccs2)c1 ZINC000767118540 978735452 /nfs/dbraw/zinc/73/54/52/978735452.db2.gz YSNXIAKPGFOBAC-UHFFFAOYSA-N -1 0 348.424 3.700 20 0 EHADRM Cc1ccc2c(CC(=O)NCC3(CC(=O)[O-])CCCCC3)c[nH]c2c1 ZINC000777379980 978778625 /nfs/dbraw/zinc/77/86/25/978778625.db2.gz BQDNNQKRRCINMO-UHFFFAOYSA-N -1 0 342.439 3.560 20 0 EHADRM COCc1cc(NC(=O)/C=C(\C)c2cccc(F)c2)cc(C(=O)[O-])c1 ZINC000794002551 978812204 /nfs/dbraw/zinc/81/22/04/978812204.db2.gz NPWKWHYLIQBFGJ-WUXMJOGZSA-N -1 0 343.354 3.712 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)Nc2cccc(-c3cnco3)c2)c1 ZINC000811816194 978859945 /nfs/dbraw/zinc/85/99/45/978859945.db2.gz OLRKESQYFSZFPC-UHFFFAOYSA-N -1 0 342.738 3.946 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N[C@@H](Cc2ccccc2)C2CC2)c1 ZINC000811819162 978863392 /nfs/dbraw/zinc/86/33/92/978863392.db2.gz HWTSGDRRMVAUMF-KRWDZBQOSA-N -1 0 343.810 3.789 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)/C=C\c1ccccc1Cl)c1cccs1 ZINC000821790566 978926496 /nfs/dbraw/zinc/92/64/96/978926496.db2.gz SBEFCSOSYLVGEU-MEJMFZKBSA-N -1 0 335.812 3.747 20 0 EHADRM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000826538799 978946452 /nfs/dbraw/zinc/94/64/52/978946452.db2.gz KMRAVHPWOQZFIL-SOGBHIHOSA-N -1 0 343.379 3.609 20 0 EHADRM CC(C)CC[C@@H]1CCCCN1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000826844674 978949923 /nfs/dbraw/zinc/94/99/23/978949923.db2.gz FKWOZDBJXCXQMA-INIZCTEOSA-N -1 0 348.443 3.973 20 0 EHADRM CC(C)Oc1ccccc1CC(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000827063223 978952535 /nfs/dbraw/zinc/95/25/35/978952535.db2.gz XERCQZIJMMXGMD-SFHVURJKSA-N -1 0 346.354 3.525 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=S)Nc1c(C)cc(C)cc1Cl ZINC000828653477 978986608 /nfs/dbraw/zinc/98/66/08/978986608.db2.gz ZWWMXOLLBOOMGV-HNNXBMFYSA-N -1 0 328.865 3.887 20 0 EHADRM C[C@H](CNC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1)C(C)(C)C ZINC001592672663 979077402 /nfs/dbraw/zinc/07/74/02/979077402.db2.gz KLGNJWOLWWSDAG-GFCCVEGCSA-N -1 0 346.427 3.655 20 0 EHADRM CC[C@@H](C)n1ncc(N[C@H](C)c2cncc(C(=O)[O-])c2)c1C1CC1 ZINC001595027324 979141838 /nfs/dbraw/zinc/14/18/38/979141838.db2.gz SFSLSTLIHGNODY-VXGBXAGGSA-N -1 0 328.416 3.998 20 0 EHADRM CC[C@@H](CC(=O)NC[C@H](CC1CCCC1)C(=O)[O-])c1ccccc1 ZINC001595033005 979172104 /nfs/dbraw/zinc/17/21/04/979172104.db2.gz ADFGDCCUKXLHNF-WMZOPIPTSA-N -1 0 331.456 3.968 20 0 EHADRM CC[C@@H](CC(=O)NC[C@@](CC)(C(=O)[O-])c1ccccc1)C(C)(C)C ZINC001595033896 979178933 /nfs/dbraw/zinc/17/89/33/979178933.db2.gz SULSXSMCLLSWRO-MGPUTAFESA-N -1 0 333.472 3.998 20 0 EHADRM CC[C@H](CC(=O)N[C@@H](C)[C@H](Cc1ccccc1)C(=O)[O-])C(C)(C)C ZINC001595034137 979181063 /nfs/dbraw/zinc/18/10/63/979181063.db2.gz ZWQDLLWDABZOGH-UAGQMJEPSA-N -1 0 333.472 3.897 20 0 EHADRM CC[C@H](CC(=O)OCC(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001595036372 979193786 /nfs/dbraw/zinc/19/37/86/979193786.db2.gz BYBCTQBLQCTTQB-CQSZACIVSA-N -1 0 340.375 3.695 20 0 EHADRM CC[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1N)c1ccc(C)cc1 ZINC001595037262 979205249 /nfs/dbraw/zinc/20/52/49/979205249.db2.gz WJFBYHIJSTXNSD-CYBMUJFWSA-N -1 0 326.396 3.798 20 0 EHADRM CC[C@@H](CC(F)(F)F)C(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC001595040109 979219999 /nfs/dbraw/zinc/21/99/99/979219999.db2.gz ZCJLHKLFBMEMHP-OCCSQVGLSA-N -1 0 345.361 3.715 20 0 EHADRM C[C@@H](CNc1nc(-c2cccc(Cl)c2)nc2c1CCCC2)C(=O)[O-] ZINC001592728578 979237894 /nfs/dbraw/zinc/23/78/94/979237894.db2.gz IGQATKLWZZGYNI-NSHDSACASA-N -1 0 345.830 3.808 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1ccc2c(c1)C(=O)CCCC2 ZINC001595049861 979276563 /nfs/dbraw/zinc/27/65/63/979276563.db2.gz HTJSQWMZKWBOPT-UHFFFAOYSA-N -1 0 346.427 3.751 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1cc(F)ccc1OC(F)F ZINC001595050896 979281293 /nfs/dbraw/zinc/28/12/93/979281293.db2.gz HRIFQXBTALREKN-UHFFFAOYSA-N -1 0 348.321 3.582 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cccs2)ccc1N1CCCCC1 ZINC000841482086 979300806 /nfs/dbraw/zinc/30/08/06/979300806.db2.gz QTNMIYBRNSQIFR-UHFFFAOYSA-N -1 0 330.409 3.689 20 0 EHADRM CCc1nc(CN[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)cs1 ZINC000841796680 979312734 /nfs/dbraw/zinc/31/27/34/979312734.db2.gz SUZKEHNBZDFMBZ-ZDUSSCGKSA-N -1 0 344.358 3.640 20 0 EHADRM C[C@](COC(=O)CCCc1ccsc1)(C(=O)[O-])c1ccccc1 ZINC001592764357 979365828 /nfs/dbraw/zinc/36/58/28/979365828.db2.gz JKXQQTMUZFNMGO-GOSISDBHSA-N -1 0 332.421 3.657 20 0 EHADRM C[C@H]1[C@@H](C(=O)[O-])CCN1c1ncnc2sc(-c3ccccc3)cc21 ZINC000844218397 979381913 /nfs/dbraw/zinc/38/19/13/979381913.db2.gz NINDRDMQJZJYHW-AAEUAGOBSA-N -1 0 339.420 3.658 20 0 EHADRM CCC(CC)[C@H](NC(=S)NCCCC(=O)[O-])c1cccs1 ZINC001595109605 979443844 /nfs/dbraw/zinc/44/38/44/979443844.db2.gz KEGZXWFOXRJGMZ-AWEZNQCLSA-N -1 0 328.503 3.554 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)N(C)C2(C(=O)[O-])CCCC2)cc1 ZINC001595121826 979497483 /nfs/dbraw/zinc/49/74/83/979497483.db2.gz WWQHSQZHYHHLAH-UHFFFAOYSA-N -1 0 333.428 3.723 20 0 EHADRM CC[C@@H](CC1CCCCC1)C(=O)N[C@@](C)(CC(=O)[O-])c1cccnc1 ZINC001595125668 979509149 /nfs/dbraw/zinc/50/91/49/979509149.db2.gz FUGXHORMAMHXHH-JXFKEZNVSA-N -1 0 346.471 3.884 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC001595125663 979509460 /nfs/dbraw/zinc/50/94/60/979509460.db2.gz FSIRZFPBQLWLOW-LRDDRELGSA-N -1 0 339.382 3.813 20 0 EHADRM CCC(CC)n1nccc1C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001595125858 979512263 /nfs/dbraw/zinc/51/22/63/979512263.db2.gz MSINWTAXBDFSIZ-UHFFFAOYSA-N -1 0 336.775 3.815 20 0 EHADRM C[C@@H]1CCCN(C(=O)c2ccc(/C=C/C(=O)[O-])o2)c2ccccc21 ZINC000851602857 979524673 /nfs/dbraw/zinc/52/46/73/979524673.db2.gz BTSRLIBXLXHILU-YGNAEDSMSA-N -1 0 325.364 3.922 20 0 EHADRM CC[C@@H](CCc1ccccc1)NC(=O)c1ccc(C(=O)[O-])cc1F ZINC001595129222 979532444 /nfs/dbraw/zinc/53/24/44/979532444.db2.gz FPBKOOPLBQPLMK-HNNXBMFYSA-N -1 0 329.371 3.665 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001592829825 979551066 /nfs/dbraw/zinc/55/10/66/979551066.db2.gz DFVHYCCVBHPARM-GDBMZVCRSA-N -1 0 349.496 3.812 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001592829831 979551382 /nfs/dbraw/zinc/55/13/82/979551382.db2.gz DFVHYCCVBHPARM-ZBFHGGJFSA-N -1 0 349.496 3.812 20 0 EHADRM C[C@H](CSc1ccc(F)cc1)C(=O)N[C@H](CC(C)(C)C)C(=O)[O-] ZINC001592830081 979552358 /nfs/dbraw/zinc/55/23/58/979552358.db2.gz GZUIMJCEZXCWCZ-BXUZGUMPSA-N -1 0 341.448 3.560 20 0 EHADRM C[C@H](CSCc1nc2ccc(Br)cc2o1)C(=O)[O-] ZINC001592830353 979554110 /nfs/dbraw/zinc/55/41/10/979554110.db2.gz OEUJYUNPDQLFGM-SSDOTTSWSA-N -1 0 330.203 3.544 20 0 EHADRM C[C@H](CSc1nc(C(=O)[O-])cs1)C(=O)c1ccc(F)c(F)c1 ZINC001592831537 979557873 /nfs/dbraw/zinc/55/78/73/979557873.db2.gz COVWOKFBNJSIKS-SSDOTTSWSA-N -1 0 343.376 3.731 20 0 EHADRM CC(C)[C@@H]1CN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)CCO1 ZINC000859790053 979631087 /nfs/dbraw/zinc/63/10/87/979631087.db2.gz AXBSLGCPBQJJSH-SFHVURJKSA-N -1 0 329.396 3.502 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001592853259 979643335 /nfs/dbraw/zinc/64/33/35/979643335.db2.gz FMNIWXKFPTYQIF-BFUOFWGJSA-N -1 0 335.419 3.544 20 0 EHADRM CC[C@H](CNC(=O)Nc1ccccc1SC1CCCC1)C(=O)[O-] ZINC001595154126 979657416 /nfs/dbraw/zinc/65/74/16/979657416.db2.gz JOAYTNXJRCOSDW-GFCCVEGCSA-N -1 0 336.457 3.954 20 0 EHADRM O=C([O-])c1coc(/C=C/C(=O)N2CCCCC[C@@H]2c2ccco2)c1 ZINC000864110730 979701362 /nfs/dbraw/zinc/70/13/62/979701362.db2.gz ICDQUQQUBSUVEJ-MVGZEHJDSA-N -1 0 329.352 3.728 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)/C=C/c2ccc(C(=O)[O-])o2)c1C ZINC000864111557 979702554 /nfs/dbraw/zinc/70/25/54/979702554.db2.gz HMHQNOFCBHWOQR-QXLXQBSBSA-N -1 0 339.391 3.972 20 0 EHADRM CN(C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000864117201 979710653 /nfs/dbraw/zinc/71/06/53/979710653.db2.gz LFUOLUQHNNSCNL-GUDVDZBRSA-N -1 0 337.419 3.855 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)NCCCc2cccs2)cc1)C(=O)[O-] ZINC001592872688 979731126 /nfs/dbraw/zinc/73/11/26/979731126.db2.gz NUADMQQJEVVTAF-CYBMUJFWSA-N -1 0 346.452 3.766 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000864133081 979735292 /nfs/dbraw/zinc/73/52/92/979735292.db2.gz YTPAKVXJXRTGSL-WIYYLYMNSA-N -1 0 345.483 3.995 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2ccc(-c3cn[nH]c3)cc2)cc1)C(=O)[O-] ZINC001592873577 979736697 /nfs/dbraw/zinc/73/66/97/979736697.db2.gz WRCJGEAEEKJSCU-CYBMUJFWSA-N -1 0 349.390 3.592 20 0 EHADRM O=C([O-])CC1(NC(=O)CCc2cccc3ccccc32)CCCC1 ZINC000864142570 979748041 /nfs/dbraw/zinc/74/80/41/979748041.db2.gz KKGDUYMLQYMWFW-UHFFFAOYSA-N -1 0 325.408 3.676 20 0 EHADRM CCN(C(=O)/C=C/c1cc(C(=O)[O-])co1)[C@H](C)Cc1ccsc1 ZINC000864142772 979748131 /nfs/dbraw/zinc/74/81/31/979748131.db2.gz PZECCAIISUTHBW-ZYOFXKKJSA-N -1 0 333.409 3.532 20 0 EHADRM CCCN(CCc1cccs1)C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000864144246 979749831 /nfs/dbraw/zinc/74/98/31/979749831.db2.gz QLWKRHKFIAQNIN-WAYWQWQTSA-N -1 0 333.409 3.534 20 0 EHADRM CSCCCCCCC(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000864158243 979771085 /nfs/dbraw/zinc/77/10/85/979771085.db2.gz GGAYPGALAMZUBW-UHFFFAOYSA-N -1 0 335.469 3.583 20 0 EHADRM CC(C)CN(Cc1ccccc1F)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000864159686 979775054 /nfs/dbraw/zinc/77/50/54/979775054.db2.gz YNTCHFKPYFUHLE-CSKARUKUSA-N -1 0 345.370 3.815 20 0 EHADRM CC(C)C[C@H](C(=O)N[C@@H]1CC=C(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000864167089 979791683 /nfs/dbraw/zinc/79/16/83/979791683.db2.gz BLDZZKNTWUKQLX-CVEARBPZSA-N -1 0 335.831 3.759 20 0 EHADRM CC[C@H](COC(=O)c1c(C)onc1-c1ccccc1Cl)C(=O)[O-] ZINC001595182861 979810813 /nfs/dbraw/zinc/81/08/13/979810813.db2.gz KZXCULRRDHLDFT-SNVBAGLBSA-N -1 0 337.759 3.571 20 0 EHADRM Cc1ccc(N(CC2CC2)C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1F ZINC000864178667 979824279 /nfs/dbraw/zinc/82/42/79/979824279.db2.gz IPGSZFCXPGFJCR-SHTZXODSSA-N -1 0 333.403 3.768 20 0 EHADRM COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000471124500 1014607631 /nfs/dbraw/zinc/60/76/31/1014607631.db2.gz XSLYHRSJOXYLAC-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)CCSc1ccccc1Cl)C1CC1 ZINC000864197692 979865729 /nfs/dbraw/zinc/86/57/29/979865729.db2.gz JRKYWQSLXOHKAU-INIZCTEOSA-N -1 0 341.860 3.582 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)nc1 ZINC000864226560 979912671 /nfs/dbraw/zinc/91/26/71/979912671.db2.gz JVSGXOKXZAVMQJ-ZDUSSCGKSA-N -1 0 338.407 3.598 20 0 EHADRM CC[C@H](C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21)c1ccc(F)cc1 ZINC000864226541 979912714 /nfs/dbraw/zinc/91/27/14/979912714.db2.gz JJLQBNKOXSOWBJ-HOCLYGCPSA-N -1 0 341.382 3.924 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)[C@@H](C)Cc2ccccc2F)c1 ZINC000864228915 979922318 /nfs/dbraw/zinc/92/23/18/979922318.db2.gz GTXHHISRTLOABZ-KSSFIOAISA-N -1 0 343.398 3.645 20 0 EHADRM O=C([O-])c1c(NC(=O)c2ccc(C(F)F)o2)sc2c1CCC2 ZINC000864358206 979931637 /nfs/dbraw/zinc/93/16/37/979931637.db2.gz ORGBATARRZOYQW-UHFFFAOYSA-N -1 0 327.308 3.718 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001595204506 979977732 /nfs/dbraw/zinc/97/77/32/979977732.db2.gz KCLXIKPKTBJIMP-OKZBNKHCSA-N -1 0 331.456 3.666 20 0 EHADRM CC(F)(F)CC(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001592936430 980000325 /nfs/dbraw/zinc/00/03/25/980000325.db2.gz WYWZKOXNANUUMX-UHFFFAOYSA-N -1 0 337.775 3.891 20 0 EHADRM CC(F)(F)c1c(F)cccc1NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001592943667 980015949 /nfs/dbraw/zinc/01/59/49/980015949.db2.gz MJZRZDMEUGNFAV-SOFGYWHQSA-N -1 0 339.269 3.881 20 0 EHADRM CC(F)(F)c1c(F)cccc1NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001592944241 980020337 /nfs/dbraw/zinc/02/03/37/980020337.db2.gz VSJZUYHHPOXTHL-ZJUUUORDSA-N -1 0 344.333 3.702 20 0 EHADRM CC(F)(F)c1cccc(NC(=O)NCc2cccc(C(=O)[O-])c2)c1 ZINC001592944686 980023793 /nfs/dbraw/zinc/02/37/93/980023793.db2.gz OXQSPWRGAOPRRC-UHFFFAOYSA-N -1 0 334.322 3.818 20 0 EHADRM CCC(F)(F)c1ccccc1NC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001595226654 980077314 /nfs/dbraw/zinc/07/73/14/980077314.db2.gz VFLMRFGAMRYYKW-NEPJUHHUSA-N -1 0 340.370 3.763 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1)CC2 ZINC000872765488 980152616 /nfs/dbraw/zinc/15/26/16/980152616.db2.gz OWHVNGYEWQVUDY-IKVWTGGYSA-N -1 0 341.451 3.501 20 0 EHADRM N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000321411303 1014634969 /nfs/dbraw/zinc/63/49/69/1014634969.db2.gz BHVXKWKPCXUSLM-NSHDSACASA-N -1 0 326.318 3.658 20 0 EHADRM CC[C@@H](NC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)c1cccc2ccccc21 ZINC001595246150 980181020 /nfs/dbraw/zinc/18/10/20/980181020.db2.gz SFBVHHKCKHAWMW-RVKKMQEKSA-N -1 0 340.423 3.796 20 0 EHADRM CC[C@@H](NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1cc(C)ccc1C ZINC001595247286 980189993 /nfs/dbraw/zinc/18/99/93/980189993.db2.gz KWLIMINPPMCRKE-IAGOWNOFSA-N -1 0 344.455 3.651 20 0 EHADRM CC[C@H](NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1cc(C)ccc1C ZINC001595247288 980190257 /nfs/dbraw/zinc/19/02/57/980190257.db2.gz KWLIMINPPMCRKE-SJORKVTESA-N -1 0 344.455 3.651 20 0 EHADRM CC[C@@H](NC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1)c1cccc(Cl)c1 ZINC001595250611 980208095 /nfs/dbraw/zinc/20/80/95/980208095.db2.gz SSWPDQRNHZAPMC-UXIGCNINSA-N -1 0 338.835 3.543 20 0 EHADRM CC[C@@H](NC(=O)Nc1cc(C(=O)[O-])cc2cccnc21)[C@H]1CC1(C)C ZINC001595252618 980221892 /nfs/dbraw/zinc/22/18/92/980221892.db2.gz MVEHJQCBQHSDNQ-ZIAGYGMSSA-N -1 0 341.411 3.879 20 0 EHADRM CC[C@@H](NC(=O)Nc1cc(C(=O)[O-])c(C)cc1C)c1nccs1 ZINC001595253072 980226502 /nfs/dbraw/zinc/22/65/02/980226502.db2.gz UAUWKVFRSNEDER-GFCCVEGCSA-N -1 0 333.413 3.731 20 0 EHADRM CC[C@@H](NC(=O)NCc1cc(C(=O)[O-])co1)C(C)(C)c1ccccc1 ZINC001595253544 980232364 /nfs/dbraw/zinc/23/23/64/980232364.db2.gz SKZZQSRATVNPOH-MRXNPFEDSA-N -1 0 344.411 3.533 20 0 EHADRM O=C([O-])[C@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)CC1CCCC1 ZINC000900083874 980249848 /nfs/dbraw/zinc/24/98/48/980249848.db2.gz NEZJOUSDGSPFDP-NSHDSACASA-N -1 0 329.799 3.555 20 0 EHADRM C[C@@](NC(=O)CCCC1CC1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593015058 980259381 /nfs/dbraw/zinc/25/93/81/980259381.db2.gz AJKUBYGYZCKRAT-INIZCTEOSA-N -1 0 344.238 3.990 20 0 EHADRM CC[C@@](NC(=O)[C@H]1CC[C@H](C(C)C)CC1)(C(=O)[O-])c1ccccc1 ZINC001595259373 980264755 /nfs/dbraw/zinc/26/47/55/980264755.db2.gz YLDJBLLHOXVRFV-FTRWYGJKSA-N -1 0 331.456 3.955 20 0 EHADRM CC[C@H](NC(=O)c1ccccc1CCC(=O)[O-])c1cc(F)ccc1F ZINC001595272177 980291290 /nfs/dbraw/zinc/29/12/90/980291290.db2.gz JTTSIEMJUMYMGV-KRWDZBQOSA-N -1 0 347.361 3.863 20 0 EHADRM Cc1ccnc(CNc2ccc(CCC(=O)[O-])cc2)c1Br ZINC000901638890 980420081 /nfs/dbraw/zinc/42/00/81/980420081.db2.gz GQKIUOGYHRUBSO-UHFFFAOYSA-N -1 0 349.228 3.782 20 0 EHADRM CC[C@@](NCc1nc2c(o1)CCCC2)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595306030 980454404 /nfs/dbraw/zinc/45/44/04/980454404.db2.gz QRVWBJOFFDSWRD-SFHVURJKSA-N -1 0 348.830 3.687 20 0 EHADRM COCc1cc(N[C@@H](C)[C@H](OC)c2ccccc2)cc(C(=O)[O-])c1 ZINC000901735383 980471382 /nfs/dbraw/zinc/47/13/82/980471382.db2.gz ZZMILLYRRFAJMX-UGSOOPFHSA-N -1 0 329.396 3.719 20 0 EHADRM COCc1cc(NC2CCN(c3ccccc3)CC2)cc(C(=O)[O-])c1 ZINC000901737198 980472018 /nfs/dbraw/zinc/47/20/18/980472018.db2.gz AJRRDCWJWVAMPB-UHFFFAOYSA-N -1 0 340.423 3.612 20 0 EHADRM CC[C@H](OC(=O)[C@@H](C)c1ccc(C(=O)C(C)C)cc1)[C@H](C)C(=O)[O-] ZINC001595334295 980583238 /nfs/dbraw/zinc/58/32/38/980583238.db2.gz DTGACYNADKJKLM-XEZPLFJOSA-N -1 0 334.412 3.671 20 0 EHADRM CC[C@@H](OC(=O)[C@@H](Sc1ccccc1)c1ccccc1)C(=O)[O-] ZINC001595336416 980594156 /nfs/dbraw/zinc/59/41/56/980594156.db2.gz MYFBUZSNEJJDGE-CVEARBPZSA-N -1 0 330.405 3.926 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001595355907 980706679 /nfs/dbraw/zinc/70/66/79/980706679.db2.gz QYNHSKJAUDODJD-OAHLLOKOSA-N -1 0 337.391 3.899 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N([C@H](C)C(=O)[O-])C1CCC1 ZINC001595356382 980711491 /nfs/dbraw/zinc/71/14/91/980711491.db2.gz CXLMQIXUSDGVBD-RHSMWYFYSA-N -1 0 347.455 3.822 20 0 EHADRM CCOc1ccc(NCc2cc(C(=O)[O-])c(CC)o2)cc1OCC ZINC000902063714 980718139 /nfs/dbraw/zinc/71/81/39/980718139.db2.gz XQNWGQBGJYUBAD-UHFFFAOYSA-N -1 0 333.384 3.950 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)O[C@@H](C(=O)[O-])c1ccsc1 ZINC001595357177 980719895 /nfs/dbraw/zinc/71/98/95/980719895.db2.gz UUBOFPBOYXFFBG-HUUCEWRRSA-N -1 0 334.393 3.583 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)N(CC(C)C)C(C)(C)C(=O)[O-] ZINC001595358667 980734421 /nfs/dbraw/zinc/73/44/21/980734421.db2.gz PHEORVBKJQUZJQ-OAHLLOKOSA-N -1 0 337.485 3.905 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cc(C)n(-c3ccccc3)n2)s1 ZINC000536670091 1032101061 /nfs/dbraw/zinc/10/10/61/1032101061.db2.gz MRSMDOLAOWNOSL-UHFFFAOYSA-N -1 0 347.465 3.605 20 0 EHADRM Cc1cc(CNc2cc(NC(=O)C3CC3)ccc2C)oc1C(=O)[O-] ZINC000902126921 980747005 /nfs/dbraw/zinc/74/70/05/980747005.db2.gz YJWSRBUAGHFKNU-UHFFFAOYSA-N -1 0 328.368 3.555 20 0 EHADRM CCc1oc(CNc2cc3c(cc2Cl)OCCO3)cc1C(=O)[O-] ZINC000902142004 980753579 /nfs/dbraw/zinc/75/35/79/980753579.db2.gz QJFYSMMBRSOFHX-UHFFFAOYSA-N -1 0 337.759 3.577 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)CC1(CSC)CC1 ZINC001595361731 980764427 /nfs/dbraw/zinc/76/44/27/980764427.db2.gz NLESDWYSDBEACV-OAHLLOKOSA-N -1 0 335.469 3.584 20 0 EHADRM O=C([O-])c1occc1CNc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000902167553 980764911 /nfs/dbraw/zinc/76/49/11/980764911.db2.gz DJNLPIQBYNSFMP-UHFFFAOYSA-N -1 0 342.395 3.652 20 0 EHADRM CCc1oc(CN[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1C(=O)[O-] ZINC000902194618 980777999 /nfs/dbraw/zinc/77/79/99/980777999.db2.gz CCCUEUQJHVKANI-ROUUACIJSA-N -1 0 347.386 3.689 20 0 EHADRM CCc1oc(CNc2cc(Cl)c(OC)c(OC)c2)cc1C(=O)[O-] ZINC000902328214 980835630 /nfs/dbraw/zinc/83/56/30/980835630.db2.gz CKSCZRJGRLZVEJ-UHFFFAOYSA-N -1 0 339.775 3.823 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CNC(C)(C)c1nc2ccccc2s1 ZINC000902357822 980851480 /nfs/dbraw/zinc/85/14/80/980851480.db2.gz APESUQIJYQSZPP-UHFFFAOYSA-N -1 0 330.409 3.921 20 0 EHADRM CCC1(CC)CCN(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])CC1 ZINC001595374889 980889559 /nfs/dbraw/zinc/88/95/59/980889559.db2.gz BCSQGZKCNGXDQA-UHFFFAOYSA-N -1 0 342.439 3.837 20 0 EHADRM CCC1(CNC(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)CCC1 ZINC001595378520 980914412 /nfs/dbraw/zinc/91/44/12/980914412.db2.gz DOEBQKTZVZXEDJ-UHFFFAOYSA-N -1 0 345.443 3.687 20 0 EHADRM COc1c(C)cnc(CNc2ccc(SC)c(C(=O)[O-])c2)c1C ZINC000902569256 980938028 /nfs/dbraw/zinc/93/80/28/980938028.db2.gz HKURRBPWKOEOBB-UHFFFAOYSA-N -1 0 332.425 3.739 20 0 EHADRM CC[C@@H]1C[C@@H](CC(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)CCO1 ZINC001595413750 981016681 /nfs/dbraw/zinc/01/66/81/981016681.db2.gz RSIFXQMILKIKRC-PEYYIBSZSA-N -1 0 340.803 3.604 20 0 EHADRM CCC1CCC(CNC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)CC1 ZINC001595416795 981033960 /nfs/dbraw/zinc/03/39/60/981033960.db2.gz YZCRVQHMJISKPA-GXKRMFDSSA-N -1 0 329.440 3.578 20 0 EHADRM CCC1CCC(NC(=O)Cc2coc3ccc(C)cc23)(C(=O)[O-])CC1 ZINC001595422056 981041274 /nfs/dbraw/zinc/04/12/74/981041274.db2.gz KCGUBCFXYOLFRI-UHFFFAOYSA-N -1 0 343.423 3.824 20 0 EHADRM Cn1cc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)c(C(F)F)n1 ZINC000460870201 1032102533 /nfs/dbraw/zinc/10/25/33/1032102533.db2.gz JLIFJULTDNIEJN-VOTSOKGWSA-N -1 0 329.306 3.775 20 0 EHADRM CC[C@@H]1CCC[C@]1(C)C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC001595436086 981067427 /nfs/dbraw/zinc/06/74/27/981067427.db2.gz OVSPTAREQQKFHW-IUUKEHGRSA-N -1 0 337.391 3.833 20 0 EHADRM CC[C@@H]1CCCC[C@H]1C(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)[O-] ZINC001595442312 981082391 /nfs/dbraw/zinc/08/23/91/981082391.db2.gz YRDJOHHAFWYSRX-KZNAEPCWSA-N -1 0 331.456 3.571 20 0 EHADRM CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001595443889 981084467 /nfs/dbraw/zinc/08/44/67/981084467.db2.gz DUYLTAYATVOAAG-DJIMGWMZSA-N -1 0 332.444 3.779 20 0 EHADRM CC[C@@H]1CCCC[C@H]1N(C)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001595445142 981091282 /nfs/dbraw/zinc/09/12/82/981091282.db2.gz WOPWYJPAIKHPDK-NVXWUHKLSA-N -1 0 332.444 3.538 20 0 EHADRM CC[C@@H]1CCCC[C@H]1OCC(=O)N1CCCc2ccc(C(=O)[O-])cc21 ZINC001595447004 981094358 /nfs/dbraw/zinc/09/43/58/981094358.db2.gz DRISXCGBBQHENM-RDTXWAMCSA-N -1 0 345.439 3.649 20 0 EHADRM CC[C@H]1CCCC[C@@H]1OCCOC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001595447665 981095860 /nfs/dbraw/zinc/09/58/60/981095860.db2.gz IPUMETFCIOUMKU-GKVPXEHWSA-N -1 0 338.444 3.550 20 0 EHADRM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1cc(C(=O)[O-])sc1C ZINC001595447684 981096396 /nfs/dbraw/zinc/09/63/96/981096396.db2.gz IVFRFDUOWGQCOV-DGCLKSJQSA-N -1 0 325.430 3.679 20 0 EHADRM Cc1cc([C@H](NCc2cc(C(F)(F)F)co2)C(=O)[O-])ccc1F ZINC000905384707 981105165 /nfs/dbraw/zinc/10/51/65/981105165.db2.gz OOTLRXXSHPUXHY-ZDUSSCGKSA-N -1 0 331.265 3.661 20 0 EHADRM CC[C@@H]1CN(C(=O)CC(C)(C)CC(=O)[O-])c2cccc(Cl)c2O1 ZINC001595472754 981180044 /nfs/dbraw/zinc/18/00/44/981180044.db2.gz QJDBYRLUFKDDTA-LLVKDONJSA-N -1 0 339.819 3.735 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)c(OC(F)F)c1 ZINC000907719271 981211096 /nfs/dbraw/zinc/21/10/96/981211096.db2.gz NKSUWMXZGWZPRH-ZMLRMANQSA-N -1 0 339.338 3.751 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N1CCC(CC2CCCCC2)CC1 ZINC000907876693 981236617 /nfs/dbraw/zinc/23/66/17/981236617.db2.gz YKPPSGZQFXALMZ-UHFFFAOYSA-N -1 0 333.428 3.729 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)Cc3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000907927213 981239847 /nfs/dbraw/zinc/23/98/47/981239847.db2.gz XBTKPHHRQVZEPF-WTGUMLROSA-N -1 0 349.430 3.512 20 0 EHADRM CC[C@H]1CN(Cc2cncc(C(=O)[O-])c2)c2cccc(Cl)c2O1 ZINC001595491369 981248915 /nfs/dbraw/zinc/24/89/15/981248915.db2.gz SZUCZHXVHORBBA-ZDUSSCGKSA-N -1 0 332.787 3.611 20 0 EHADRM CC/C=C(/F)C(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC001595507866 981293437 /nfs/dbraw/zinc/29/34/37/981293437.db2.gz NPDLGNZSOGRZNZ-IZZDOVSWSA-N -1 0 334.372 3.639 20 0 EHADRM CC/C=C(\F)C(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC001595508385 981296167 /nfs/dbraw/zinc/29/61/67/981296167.db2.gz USPZDDDHSAQSKI-XFQLMFQHSA-N -1 0 344.386 3.836 20 0 EHADRM COc1c(NC(=O)C[C@H]2CCc3ccccc3C2)cccc1C(=O)[O-] ZINC000908508627 981320850 /nfs/dbraw/zinc/32/08/50/981320850.db2.gz VVWAWZJJZGNVSK-ZDUSSCGKSA-N -1 0 339.391 3.527 20 0 EHADRM CC(C)c1cc(C(=O)N2CCC(CC(=O)[O-])CC2)c(O)c(C(C)C)c1 ZINC000908685171 981339851 /nfs/dbraw/zinc/33/98/51/981339851.db2.gz RLJJNTPWXANTSE-UHFFFAOYSA-N -1 0 347.455 3.966 20 0 EHADRM CCCC(=CC(=O)N[C@@](C)(Cc1ccc(F)cc1)C(=O)[O-])CCC ZINC001595521985 981343363 /nfs/dbraw/zinc/34/33/63/981343363.db2.gz HMFYVRBRIZKZPP-IBGZPJMESA-N -1 0 335.419 3.854 20 0 EHADRM CC(C)N(C(=O)c1[nH]c2ccccc2c1CC(=O)[O-])C1CCCC1 ZINC000908725898 981348456 /nfs/dbraw/zinc/34/84/56/981348456.db2.gz CFDOSWQSDSDTDL-UHFFFAOYSA-N -1 0 328.412 3.588 20 0 EHADRM CC(C)n1ncc2ccc(NC(=O)C34CCC(C(=O)[O-])(CC3)C4)cc21 ZINC000908760817 981356325 /nfs/dbraw/zinc/35/63/25/981356325.db2.gz UTQNGAIHFINEOQ-UHFFFAOYSA-N -1 0 341.411 3.591 20 0 EHADRM C[C@@H](CN(C)C(=O)C12CCC(C(=O)[O-])(CC1)CC2)c1ccccc1 ZINC000908776219 981360556 /nfs/dbraw/zinc/36/05/56/981360556.db2.gz ORZAPWSUKKPQDF-VMEOHVCESA-N -1 0 329.440 3.674 20 0 EHADRM CCC[C@@H](C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)c1ccc(Cl)cc1 ZINC001595536806 981384939 /nfs/dbraw/zinc/38/49/39/981384939.db2.gz DQOGVJHUMANQNK-HSMRXVHUSA-N -1 0 349.858 3.839 20 0 EHADRM CC(C)(CC(=O)N[C@@H](CCC(=O)[O-])c1ccccc1)CC(F)F ZINC000908937039 981389758 /nfs/dbraw/zinc/38/97/58/981389758.db2.gz QKSUEMZGDSRCBI-ZDUSSCGKSA-N -1 0 327.371 3.780 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000908964744 981392550 /nfs/dbraw/zinc/39/25/50/981392550.db2.gz WSIYYLUKROXGCC-LLVKDONJSA-N -1 0 331.334 3.521 20 0 EHADRM CN(C(=O)C1CCC(C(F)(F)F)CC1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000909000530 981398304 /nfs/dbraw/zinc/39/83/04/981398304.db2.gz LHQOGYPURFWKLF-JXQTWKCFSA-N -1 0 343.345 3.639 20 0 EHADRM CCC[C@@](C)(NC(=O)[C@H](c1ccncc1)C1CCCCC1)C(=O)[O-] ZINC001595546102 981407804 /nfs/dbraw/zinc/40/78/04/981407804.db2.gz HMQMJORKPYBLPN-QFBILLFUSA-N -1 0 332.444 3.505 20 0 EHADRM Cc1ccc(CCC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])s1 ZINC000909067518 981410297 /nfs/dbraw/zinc/41/02/97/981410297.db2.gz HLDHAGSCPRVIHM-SUMWQHHRSA-N -1 0 331.437 3.567 20 0 EHADRM CC1(/C=C\C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CCOCC1 ZINC000909121079 981421299 /nfs/dbraw/zinc/42/12/99/981421299.db2.gz ANWIZDWLLIHAJE-PLNGDYQASA-N -1 0 345.420 3.911 20 0 EHADRM CCC[C@@](C)(NC(=O)c1cccn1[C@@H](C)Cc1ccccc1)C(=O)[O-] ZINC001595553212 981427880 /nfs/dbraw/zinc/42/78/80/981427880.db2.gz DASUVGXGFUGASR-MGPUTAFESA-N -1 0 342.439 3.665 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1cccc(C2CCC2)c1 ZINC000909167085 981430633 /nfs/dbraw/zinc/43/06/33/981430633.db2.gz RKIREIMSIAPKEJ-UHFFFAOYSA-N -1 0 339.391 3.978 20 0 EHADRM CCC[C@](C)(NCc1nc(-c2cccc(OC)c2)cs1)C(=O)[O-] ZINC001595559377 981440900 /nfs/dbraw/zinc/44/09/00/981440900.db2.gz LYVQWCYWTNFOKO-KRWDZBQOSA-N -1 0 334.441 3.552 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)CCCc2ccc(O)c(F)c2)cc1 ZINC000909283681 981457771 /nfs/dbraw/zinc/45/77/71/981457771.db2.gz AZHBCDIYTCWJHC-UHFFFAOYSA-N -1 0 345.370 3.510 20 0 EHADRM CCC[C@H](C)CC(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001595570331 981472738 /nfs/dbraw/zinc/47/27/38/981472738.db2.gz AZJARFPJTVCYRD-LBPRGKRZSA-N -1 0 346.452 3.951 20 0 EHADRM CCC[C@@H](C)[C@H]1CCCN1C(=O)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC001595571908 981481632 /nfs/dbraw/zinc/48/16/32/981481632.db2.gz MFKQKGRRQWSTFG-CXAGYDPISA-N -1 0 348.443 3.964 20 0 EHADRM C[C@H](CN(C(=O)[C@H](C)c1ccc(C(F)(F)F)cc1)C1CC1)C(=O)[O-] ZINC000909456767 981498653 /nfs/dbraw/zinc/49/86/53/981498653.db2.gz HDWZRZNEWNOTPK-GHMZBOCLSA-N -1 0 343.345 3.521 20 0 EHADRM CSc1cc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c(C)o1 ZINC000909522211 981528502 /nfs/dbraw/zinc/52/85/02/981528502.db2.gz FFJQDAPSRAKSDH-SNVBAGLBSA-N -1 0 333.409 3.825 20 0 EHADRM C[C@@]1(NC(=O)C2CCC(C(F)(F)F)CC2)CCCC[C@@H]1C(=O)[O-] ZINC000909538876 981536626 /nfs/dbraw/zinc/53/66/26/981536626.db2.gz UQPALYLANJGWLL-WKQXJPDBSA-N -1 0 335.366 3.505 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1cccnc1Oc1cccc(C)c1C ZINC000909545040 981538070 /nfs/dbraw/zinc/53/80/70/981538070.db2.gz VOAROYOJOUGKSB-CYBMUJFWSA-N -1 0 328.368 3.540 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CC(Cc2ccccc2)C1 ZINC000654988994 1014744345 /nfs/dbraw/zinc/74/43/45/1014744345.db2.gz FDOTUOSBIZLEJT-UHFFFAOYSA-N -1 0 335.325 3.726 20 0 EHADRM CCC[C@H](NC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1)C(C)(C)C ZINC001595599741 981573590 /nfs/dbraw/zinc/57/35/90/981573590.db2.gz GHAITXUEALTCPC-INIZCTEOSA-N -1 0 343.427 3.515 20 0 EHADRM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)c2ccoc2CC(=O)[O-])cc1 ZINC000909728240 981582006 /nfs/dbraw/zinc/58/20/06/981582006.db2.gz ZAQKIEONHFNKIS-WBVHZDCISA-N -1 0 341.407 3.623 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N(CC)C(c1ccccc1)c1ccccc1 ZINC001594740740 981606499 /nfs/dbraw/zinc/60/64/99/981606499.db2.gz HXSFCFNPMZHEPR-KRWDZBQOSA-N -1 0 325.408 3.735 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N1CCCCC[C@H]1Cc1ccccc1Cl ZINC001594743473 981623802 /nfs/dbraw/zinc/62/38/02/981623802.db2.gz SERKSHSQMKJMDZ-LSDHHAIUSA-N -1 0 337.847 3.765 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)CC(C)(C)Cc1ccc(Cl)cc1 ZINC000909804073 981633078 /nfs/dbraw/zinc/63/30/78/981633078.db2.gz AYJYYYRRRYYUFJ-IUODEOHRSA-N -1 0 337.847 3.620 20 0 EHADRM C[C@H](OCc1ccc(F)cc1)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000909835182 981653361 /nfs/dbraw/zinc/65/33/61/981653361.db2.gz DYXSRTMTCPVGRB-STQMWFEESA-N -1 0 345.370 3.558 20 0 EHADRM CCCC1(CCC)CCCN1C(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC001595617664 981656367 /nfs/dbraw/zinc/65/63/67/981656367.db2.gz VEBCJPGPMNRCSK-UHFFFAOYSA-N -1 0 336.432 3.931 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)NCC1(c2ccc(F)cc2Cl)CCCC1 ZINC001594753456 981660845 /nfs/dbraw/zinc/66/08/45/981660845.db2.gz TWCMVSDTUPUFGE-GFCCVEGCSA-N -1 0 341.810 3.518 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)NCc1ccccc1Sc1ccccc1 ZINC001594755504 981667107 /nfs/dbraw/zinc/66/71/07/981667107.db2.gz LCJCJGITYRFMRK-OAHLLOKOSA-N -1 0 329.421 3.565 20 0 EHADRM O=C([O-])CC[C@@H](CC1CCCCC1)NC(=O)CCCc1ccccn1 ZINC000909844393 981667527 /nfs/dbraw/zinc/66/75/27/981667527.db2.gz MYYMOQZSGKJHFF-SFHVURJKSA-N -1 0 346.471 3.724 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)s1 ZINC000909845773 981670718 /nfs/dbraw/zinc/67/07/18/981670718.db2.gz GLNLGCZZEPDWMP-QWHCGFSZSA-N -1 0 335.812 3.520 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)NCc1ccc(C)cc1O[C@@H](C)CC(C)C ZINC001594756070 981671418 /nfs/dbraw/zinc/67/14/18/981671418.db2.gz DTYDZWNHGBBKTR-HOCLYGCPSA-N -1 0 335.444 3.535 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)C2(Cc3ccc(F)cc3)CC2)cc1F ZINC000909848096 981676310 /nfs/dbraw/zinc/67/63/10/981676310.db2.gz YKJLJLVROOJOCU-UHFFFAOYSA-N -1 0 345.345 3.553 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)NCc1ccc(-c2ccc(Cl)cc2)cc1F ZINC001594756741 981677112 /nfs/dbraw/zinc/67/71/12/981677112.db2.gz YMTORQDWRFSDIP-OAHLLOKOSA-N -1 0 349.789 3.873 20 0 EHADRM CCC[C@H]1C[C@H](C(=O)Oc2ccc(C(=O)[O-])cc2Cl)CCO1 ZINC001595620965 981695138 /nfs/dbraw/zinc/69/51/38/981695138.db2.gz YSNBSFJDLZRSNG-NEPJUHHUSA-N -1 0 326.776 3.539 20 0 EHADRM C[C@H](c1ccc(C(=O)NC[C@@H](CC2CC2)C(=O)[O-])cc1)C(F)(F)F ZINC000909884259 981696856 /nfs/dbraw/zinc/69/68/56/981696856.db2.gz OZCGBWCXCPNKII-QMTHXVAHSA-N -1 0 343.345 3.583 20 0 EHADRM CCC[C@@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)C1 ZINC001595621925 981704520 /nfs/dbraw/zinc/70/45/20/981704520.db2.gz BDPWWKCZKGWSTB-CYBMUJFWSA-N -1 0 341.411 3.977 20 0 EHADRM CC[C@H](C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(F)cc1 ZINC001594774318 981751372 /nfs/dbraw/zinc/75/13/72/981751372.db2.gz CPGBGIXFXZSCKT-HOTGVXAUSA-N -1 0 334.318 3.828 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cscc1C(F)F ZINC001594785642 981804577 /nfs/dbraw/zinc/80/45/77/981804577.db2.gz MFMOXYDFTFLMPQ-OAHLLOKOSA-N -1 0 331.384 3.791 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1oc2ccccc2c1C ZINC001594786676 981814830 /nfs/dbraw/zinc/81/48/30/981814830.db2.gz YOIVBMXUYBASAO-IBGZPJMESA-N -1 0 329.396 3.847 20 0 EHADRM CCCC[C@H](C)N(C)S(=O)(=O)c1ccc(C(=O)[O-])c2ccccc21 ZINC001595631255 981835468 /nfs/dbraw/zinc/83/54/68/981835468.db2.gz INBGUTIKPAMSPN-ZDUSSCGKSA-N -1 0 349.452 3.737 20 0 EHADRM CCCC[C@H](C)N(C)S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC001595631318 981836401 /nfs/dbraw/zinc/83/64/01/981836401.db2.gz KSOQUQFNFZTMJJ-JTQLQIEISA-N -1 0 347.864 3.546 20 0 EHADRM COc1cc(C)c([C@@H](C)Nc2ccc(C(=O)[O-])c(C)n2)cc1OC ZINC000910286799 981841898 /nfs/dbraw/zinc/84/18/98/981841898.db2.gz DGPCHLFDACOODR-GFCCVEGCSA-N -1 0 330.384 3.587 20 0 EHADRM CCCC[C@@H](C)N(CCCC)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001595631787 981843697 /nfs/dbraw/zinc/84/36/97/981843697.db2.gz DBYGCECUVZBNNI-CQSZACIVSA-N -1 0 341.473 3.754 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)[C@H]2CCOC3(CCCC3)C2)cc1 ZINC000910297307 981851192 /nfs/dbraw/zinc/85/11/92/981851192.db2.gz WSXBQCBVIJRIMO-BHYGNILZSA-N -1 0 343.423 3.553 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc2c(c1)CCC=C2 ZINC001594792722 981862217 /nfs/dbraw/zinc/86/22/17/981862217.db2.gz PJPHVECNHDIEJY-HXUWFJFHSA-N -1 0 327.424 3.752 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cc2ccccc2nc1C ZINC001594794228 981868787 /nfs/dbraw/zinc/86/87/87/981868787.db2.gz XMQUCZHVHBUTNY-FQEVSTJZSA-N -1 0 340.423 3.649 20 0 EHADRM CCC(C)(C)C1CCC(CC(=O)N(OC)[C@H](C)CC(=O)[O-])CC1 ZINC001594796527 981877493 /nfs/dbraw/zinc/87/74/93/981877493.db2.gz CBGGZFMPXLXKKI-WLYUNCDWSA-N -1 0 327.465 3.872 20 0 EHADRM CCC(C)(C)C1CCC(CC(=O)NCc2ocnc2C(=O)[O-])CC1 ZINC001594796862 981883168 /nfs/dbraw/zinc/88/31/68/981883168.db2.gz OSSDJVPRUDZMES-UHFFFAOYSA-N -1 0 336.432 3.622 20 0 EHADRM CCC(C)(C)[C@@H](C)NS(=O)(=O)c1cc2ccccc2cc1C(=O)[O-] ZINC001594797122 981885128 /nfs/dbraw/zinc/88/51/28/981885128.db2.gz VAGDVAOOMBXBCM-GFCCVEGCSA-N -1 0 349.452 3.641 20 0 EHADRM CCCC[C@@H](NC(=O)[C@@H](Oc1ccc(Cl)cc1)C(C)C)C(=O)[O-] ZINC001595634394 981886922 /nfs/dbraw/zinc/88/69/22/981886922.db2.gz NKSOUVOIKQILNE-CABCVRRESA-N -1 0 341.835 3.503 20 0 EHADRM CCC(C)(C)CCNC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001594800880 981891628 /nfs/dbraw/zinc/89/16/28/981891628.db2.gz NJATYJQKFATWPG-UHFFFAOYSA-N -1 0 344.358 3.934 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)c2cscc2C(F)F)c1 ZINC000910371835 981902407 /nfs/dbraw/zinc/90/24/07/981902407.db2.gz ZGBYAUDEIYYHNG-CYBMUJFWSA-N -1 0 339.363 3.940 20 0 EHADRM CCC(C)(C)NC(=O)CSCc1cc(C(=O)[O-])ccc1Cl ZINC001594806011 981910596 /nfs/dbraw/zinc/91/05/96/981910596.db2.gz MSXYJRSMWHAQQR-UHFFFAOYSA-N -1 0 329.849 3.576 20 0 EHADRM CCCC[C@@H](NC(=O)Cc1coc2c1ccc(Cl)c2C)C(=O)[O-] ZINC001595635982 981911426 /nfs/dbraw/zinc/91/14/26/981911426.db2.gz SYDYNZWZAGPXLI-CQSZACIVSA-N -1 0 337.803 3.697 20 0 EHADRM CCCC[C@H](NC(=O)c1cc2c3ccccc3n(C)c2s1)C(=O)[O-] ZINC001595636735 981921699 /nfs/dbraw/zinc/92/16/99/981921699.db2.gz NUDVVQLAEYXVNT-ZDUSSCGKSA-N -1 0 344.436 3.766 20 0 EHADRM CCC(C)(C)CC(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC001594808969 981923485 /nfs/dbraw/zinc/92/34/85/981923485.db2.gz SWLAIQMBSCAPST-UHFFFAOYSA-N -1 0 329.400 3.644 20 0 EHADRM CCC(C)(C)c1ccc(C(=O)N(CC(=O)[O-])c2cccc(C)n2)cc1 ZINC001594814380 981936898 /nfs/dbraw/zinc/93/68/98/981936898.db2.gz KZMIBRJZIRVGCM-UHFFFAOYSA-N -1 0 340.423 3.809 20 0 EHADRM CCC(C)(C)c1ccc(CNC(=O)c2ccc(/C=C\C(=O)[O-])o2)cc1 ZINC001594814795 981940916 /nfs/dbraw/zinc/94/09/16/981940916.db2.gz XLCBHOPPJPBQGO-BENRWUELSA-N -1 0 341.407 3.995 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC001594816236 981950061 /nfs/dbraw/zinc/95/00/61/981950061.db2.gz BKBZTVGJSYXUMM-CJBNDPTMSA-N -1 0 341.810 3.732 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1c(C)c(C)sc1Br ZINC001594821246 981969930 /nfs/dbraw/zinc/96/99/30/981969930.db2.gz SULTXVNVAKCABO-CYBMUJFWSA-N -1 0 348.262 3.501 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001594822437 981974668 /nfs/dbraw/zinc/97/46/68/981974668.db2.gz YONWSFMWWLZKKL-ZDUSSCGKSA-N -1 0 337.725 3.732 20 0 EHADRM Cc1ccc(N(CC2CC2)C(=O)c2ccc(/C=C\C(=O)[O-])o2)cc1 ZINC000910537781 981987715 /nfs/dbraw/zinc/98/77/15/981987715.db2.gz AJVTWTIRPMWKGG-LUAWRHEFSA-N -1 0 325.364 3.743 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(/C=C/C(=O)[O-])o2)[C@H]1c1ccccc1 ZINC000910544117 981988401 /nfs/dbraw/zinc/98/84/01/981988401.db2.gz HGATTYXFLLVHOR-NBVACRFTSA-N -1 0 325.364 3.601 20 0 EHADRM CCC(C)(CC)C(=O)OCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001594829661 982005138 /nfs/dbraw/zinc/00/51/38/982005138.db2.gz APIJOACSCPUJTD-UHFFFAOYSA-N -1 0 331.368 3.909 20 0 EHADRM CCCC[C@@H](OC(=O)c1c(F)ccc(C)c1Br)C(=O)[O-] ZINC001595650360 982008952 /nfs/dbraw/zinc/00/89/52/982008952.db2.gz GQCVCXNEBHNQFZ-SNVBAGLBSA-N -1 0 347.180 3.697 20 0 EHADRM CCCC[C@H](S[C@H](Cc1ccc(Cl)cc1)C(=O)[O-])C(=O)OC ZINC001595651884 982027591 /nfs/dbraw/zinc/02/75/91/982027591.db2.gz LXVYRIUKUDKWDJ-UONOGXRCSA-N -1 0 344.860 3.801 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)CCCc1cccs1 ZINC000910621421 982028161 /nfs/dbraw/zinc/02/81/61/982028161.db2.gz KYZMVMNZSKRFBT-UHFFFAOYSA-N -1 0 333.409 3.806 20 0 EHADRM CCCC[C@@H](SCc1cc(Br)cnc1OC)C(=O)[O-] ZINC001595654628 982041959 /nfs/dbraw/zinc/04/19/59/982041959.db2.gz FLKZNPLFKAXAJM-LLVKDONJSA-N -1 0 348.262 3.729 20 0 EHADRM CC(C)Cn1ncc(NC(=O)c2ccc(/C=C/C(=O)[O-])o2)c1C(C)C ZINC000910650405 982042382 /nfs/dbraw/zinc/04/23/82/982042382.db2.gz VEULMMLJCWIJFD-SOFGYWHQSA-N -1 0 345.399 3.606 20 0 EHADRM CCCC[C@@H](S[C@@H]1CCCN(c2ccccc2F)C1=O)C(=O)[O-] ZINC001595655886 982048892 /nfs/dbraw/zinc/04/88/92/982048892.db2.gz QFSYRPFFROHGKC-HUUCEWRRSA-N -1 0 339.432 3.698 20 0 EHADRM Cc1sc(NC(=O)c2ccccc2CCC(=O)[O-])nc1C(C)C ZINC000910679673 982055080 /nfs/dbraw/zinc/05/50/80/982055080.db2.gz OCQNRSZKKUSAKE-UHFFFAOYSA-N -1 0 332.425 3.844 20 0 EHADRM CC[C@](C)(NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])C1CC1 ZINC001594841619 982056196 /nfs/dbraw/zinc/05/61/96/982056196.db2.gz LDNLTWAIUOVYMW-KXBFYZLASA-N -1 0 332.444 3.716 20 0 EHADRM CCCCC1CCC(CNC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)CC1 ZINC001595660239 982069753 /nfs/dbraw/zinc/06/97/53/982069753.db2.gz BPAJXZUKIBQATG-ZVZUOYOSSA-N -1 0 336.476 3.536 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)c2cccc(F)c2C)nc1C(=O)[O-] ZINC000910717693 982080194 /nfs/dbraw/zinc/08/01/94/982080194.db2.gz FUMYWYKQBSVRPZ-CYBMUJFWSA-N -1 0 348.399 3.575 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)[C@H]2CCC(C)(C)C2)nc1C(=O)[O-] ZINC000910720408 982082861 /nfs/dbraw/zinc/08/28/61/982082861.db2.gz GXYZOJUARAEMCO-RYUDHWBXSA-N -1 0 336.457 3.640 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)C=C(C2CC2)C2CC2)nc1C(=O)[O-] ZINC000910730334 982093478 /nfs/dbraw/zinc/09/34/78/982093478.db2.gz LKYWKTVTBGAWDF-CQSZACIVSA-N -1 0 346.452 3.560 20 0 EHADRM CCCCC[C@](C)(CC)C(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001595666054 982096779 /nfs/dbraw/zinc/09/67/79/982096779.db2.gz DIQMBHFRPFDMPT-KNJJTBQFSA-N -1 0 339.476 3.512 20 0 EHADRM CCCCC[C@@H](C)CC(=O)N[C@](C)(Cc1ccc(F)cc1)C(=O)[O-] ZINC001595666329 982099171 /nfs/dbraw/zinc/09/91/71/982099171.db2.gz IMQHWPJFTGOOEW-AUUYWEPGSA-N -1 0 337.435 3.934 20 0 EHADRM CCCCC[C@H](CC)C(=O)N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001595668926 982112288 /nfs/dbraw/zinc/11/22/88/982112288.db2.gz DSSAVTPRAKGLSH-RWMBFGLXSA-N -1 0 337.382 3.705 20 0 EHADRM CCCCC[C@H](CC)C(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001595670991 982122505 /nfs/dbraw/zinc/12/25/05/982122505.db2.gz WUYYDMRSKNOVCI-ZDUSSCGKSA-N -1 0 331.416 3.666 20 0 EHADRM CCCCC[C@H](NC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001595671108 982123227 /nfs/dbraw/zinc/12/32/27/982123227.db2.gz ZMOXPYPREHKNKP-QWHCGFSZSA-N -1 0 349.324 3.866 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000910864593 982154914 /nfs/dbraw/zinc/15/49/14/982154914.db2.gz QXCSOJJZRCTLKF-MWLCHTKSSA-N -1 0 335.400 3.532 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)N(C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001594866284 982174330 /nfs/dbraw/zinc/17/43/30/982174330.db2.gz QLIHZIWKKFLHEU-SMDDNHRTSA-N -1 0 332.425 3.634 20 0 EHADRM CCCCC[C@H]1CCCN1C(=O)NCc1ccc(C(=O)[O-])c(OC)c1 ZINC001595690854 982202454 /nfs/dbraw/zinc/20/24/54/982202454.db2.gz VJLGUEBDEJNGKF-HNNXBMFYSA-N -1 0 348.443 3.648 20 0 EHADRM CCCCCC[C@](C)(CCC)C(=O)N1CCc2[nH]nc(C(=O)[O-])c2C1 ZINC001595694756 982213700 /nfs/dbraw/zinc/21/37/00/982213700.db2.gz HFTMFWLXUQKRPF-IBGZPJMESA-N -1 0 349.475 3.769 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000911083748 982230183 /nfs/dbraw/zinc/23/01/83/982230183.db2.gz ZNYYBFQPGCWYEF-GJZGRUSLSA-N -1 0 333.428 3.831 20 0 EHADRM CCN(c1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1)C(C)C ZINC000911211527 982287643 /nfs/dbraw/zinc/28/76/43/982287643.db2.gz CDTBBHBXLIIOBZ-UHFFFAOYSA-N -1 0 344.455 3.895 20 0 EHADRM CCCCCCO[C@H](C)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC001595710136 982293521 /nfs/dbraw/zinc/29/35/21/982293521.db2.gz DNPXHZUQSPQCIF-LLVKDONJSA-N -1 0 327.808 3.962 20 0 EHADRM CCCCN(C(=O)Cc1ccc(C(=O)[O-])cc1)c1ccc(Cl)nc1 ZINC001595732193 982368014 /nfs/dbraw/zinc/36/80/14/982368014.db2.gz SFZKKFCKRKOADF-UHFFFAOYSA-N -1 0 346.814 3.809 20 0 EHADRM CC(C)N(C)c1cccc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC000911367781 982385721 /nfs/dbraw/zinc/38/57/21/982385721.db2.gz QFLYYZACTSHTNT-UHFFFAOYSA-N -1 0 344.455 3.895 20 0 EHADRM Cc1cc(N(C)C)cc(C)c1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000911393110 982415466 /nfs/dbraw/zinc/41/54/66/982415466.db2.gz QSOMBHMLETTXCG-UHFFFAOYSA-N -1 0 340.423 3.639 20 0 EHADRM Cc1cccc([C@@H](C)CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC000911427138 982426593 /nfs/dbraw/zinc/42/65/93/982426593.db2.gz GZFRSKLUTWGFKT-VMEOHVCESA-N -1 0 329.440 3.640 20 0 EHADRM CCCCNc1ccccc1C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC001595763737 982474900 /nfs/dbraw/zinc/47/49/00/982474900.db2.gz SPKRVBVLOAZTTR-UHFFFAOYSA-N -1 0 338.407 3.753 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)cc1 ZINC000911532650 982478309 /nfs/dbraw/zinc/47/83/09/982478309.db2.gz XUGMFJUKUGWIIA-QGZVFWFLSA-N -1 0 349.390 3.629 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N2CCC[C@H]2c2ccc(F)cc2F)c1 ZINC000911544178 982487610 /nfs/dbraw/zinc/48/76/10/982487610.db2.gz HKUTZYRMBMHFMO-KRWDZBQOSA-N -1 0 345.345 3.569 20 0 EHADRM CC[C@H](C)[C@H](OC)C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001594927350 982523608 /nfs/dbraw/zinc/52/36/08/982523608.db2.gz STHKYNUHKXVOPF-XCRHUMRWSA-N -1 0 349.471 3.677 20 0 EHADRM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000655036802 1014849670 /nfs/dbraw/zinc/84/96/70/1014849670.db2.gz PTVUZQYSUKKKLF-RRKCRQDMSA-N -1 0 348.613 3.906 20 0 EHADRM CC/C(C)=C(\C)C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000911598959 982532417 /nfs/dbraw/zinc/53/24/17/982532417.db2.gz XEGDUHSDTCFGAS-BUHFOSPRSA-N -1 0 330.428 3.534 20 0 EHADRM CC[C@@H](C)[C@H](Sc1nc2ccccc2c(=O)n1C(C)C)C(=O)[O-] ZINC001594928184 982533231 /nfs/dbraw/zinc/53/32/31/982533231.db2.gz DIHNLAMBNATTGT-RISCZKNCSA-N -1 0 334.441 3.569 20 0 EHADRM CCCCOc1ccc(NC(=O)c2ccccc2CCC(=O)[O-])cn1 ZINC001595780602 982550693 /nfs/dbraw/zinc/55/06/93/982550693.db2.gz IHUSLBGQRQTTHF-UHFFFAOYSA-N -1 0 342.395 3.530 20 0 EHADRM CC[C@@H](C)[C@H](Sc1nnc(-c2ccc(C)cc2)n1CC)C(=O)[O-] ZINC001594930160 982551509 /nfs/dbraw/zinc/55/15/09/982551509.db2.gz VVADQLQYPLKTGT-OCCSQVGLSA-N -1 0 333.457 3.865 20 0 EHADRM CC[C@H](C)CC(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC001594930728 982555976 /nfs/dbraw/zinc/55/59/76/982555976.db2.gz AKSFPGCQMHCUHX-WMLDXEAASA-N -1 0 327.424 3.636 20 0 EHADRM CCCCSc1ccc(Cl)cc1C(=O)N[C@H](C)/C=C/C(=O)[O-] ZINC001595791853 982590947 /nfs/dbraw/zinc/59/09/47/982590947.db2.gz HPIDMWBUVWEEBY-AYLMVEPYSA-N -1 0 341.860 3.991 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NC23CCC(C(F)(F)F)(CC2)CC3)C1 ZINC000911696391 982602968 /nfs/dbraw/zinc/60/29/68/982602968.db2.gz CVHVHQFRMHBKMQ-XQOMNBSISA-N -1 0 347.377 3.649 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000911716604 982610292 /nfs/dbraw/zinc/61/02/92/982610292.db2.gz BTYDTEGXSXFMNI-YXWQFLTLSA-N -1 0 335.831 3.593 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@H]3C[C@H](c4ccc(Cl)cc4)C3)(CC1)C2 ZINC000911717454 982610886 /nfs/dbraw/zinc/61/08/86/982610886.db2.gz JJOQCOGUUOMJEM-MHMFRDGHSA-N -1 0 347.842 3.737 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000911720138 982611866 /nfs/dbraw/zinc/61/18/66/982611866.db2.gz WPJCORJBEAMAJC-AULYBMBSSA-N -1 0 333.771 3.616 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)COc1ccccc1[C@@H](C)CC)C(=O)[O-] ZINC001594942365 982619466 /nfs/dbraw/zinc/61/94/66/982619466.db2.gz OXESSDHHGMZRAE-DZKIICNBSA-N -1 0 335.444 3.585 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)COc1ccc(C(C)C)c(C)c1)C(=O)[O-] ZINC001594943548 982622910 /nfs/dbraw/zinc/62/29/10/982622910.db2.gz WWQAIJMZYMEFJZ-SUMWQHHRSA-N -1 0 335.444 3.503 20 0 EHADRM CCCCn1ncc(NC(=O)Nc2ccc(C(=O)[O-])nc2)c1C(C)C ZINC001595807064 982633080 /nfs/dbraw/zinc/63/30/80/982633080.db2.gz BUDOQDQGNAIJIB-UHFFFAOYSA-N -1 0 345.403 3.544 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)c1ccccc1CCC(F)(F)F)C(=O)[O-] ZINC001594946997 982645962 /nfs/dbraw/zinc/64/59/62/982645962.db2.gz WCCRIZRIWCJEGI-BXUZGUMPSA-N -1 0 345.361 3.801 20 0 EHADRM COCc1c2ccccc2oc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000914729830 982656480 /nfs/dbraw/zinc/65/64/80/982656480.db2.gz WLXFJBNLXDMNMC-UHFFFAOYSA-N -1 0 343.310 3.669 20 0 EHADRM Cc1nc2ccccc2cc1C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000914730890 982657229 /nfs/dbraw/zinc/65/72/29/982657229.db2.gz NFYGSBQOBUBCLB-OAHLLOKOSA-N -1 0 340.404 3.551 20 0 EHADRM CCCN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)[C@H](C)C(=O)[O-] ZINC001595814748 982661236 /nfs/dbraw/zinc/66/12/36/982661236.db2.gz SYPVYFOWSADXGP-JIMOISOXSA-N -1 0 344.238 3.809 20 0 EHADRM CCCN(C(=O)CCSc1ccc(Cl)cc1)[C@H](C)C(=O)[O-] ZINC001595815585 982664692 /nfs/dbraw/zinc/66/46/92/982664692.db2.gz AKEVQAJYLQWIFT-LLVKDONJSA-N -1 0 329.849 3.534 20 0 EHADRM O=C([O-])c1ccc2c(=O)[nH]c(C(Cl)=Cc3ccccc3F)nc2c1 ZINC000916603734 982677244 /nfs/dbraw/zinc/67/72/44/982677244.db2.gz IULFROHUGJEZPF-KPKJPENVSA-N -1 0 344.729 3.910 20 0 EHADRM CCCN(C(=O)CCC[C@@H](C)c1cccc(OC)c1)[C@H](C)C(=O)[O-] ZINC001595817165 982678932 /nfs/dbraw/zinc/67/89/32/982678932.db2.gz OURNERNPFAJIRZ-HUUCEWRRSA-N -1 0 335.444 3.681 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)c1ccsc1C(F)F ZINC000923039734 982696430 /nfs/dbraw/zinc/69/64/30/982696430.db2.gz FXBHOWBUGYEKGZ-UHFFFAOYSA-N -1 0 339.363 3.803 20 0 EHADRM COc1ccc(C[C@H](C)C(=O)Nc2cc(C(=O)[O-])sc2C)cc1 ZINC000923090254 982716259 /nfs/dbraw/zinc/71/62/59/982716259.db2.gz FYQJCKFMYWBMOR-JTQLQIEISA-N -1 0 333.409 3.581 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000923090217 982716306 /nfs/dbraw/zinc/71/63/06/982716306.db2.gz FKRHOLNFGZKWDY-GXSJLCMTSA-N -1 0 337.347 3.775 20 0 EHADRM CCCN(C)c1ccccc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001595839561 982754383 /nfs/dbraw/zinc/75/43/83/982754383.db2.gz JSNJOJPTGYORSW-UHFFFAOYSA-N -1 0 332.444 3.897 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cccn1[C@H](C)Cc1ccccc1 ZINC001594977278 982755555 /nfs/dbraw/zinc/75/55/55/982755555.db2.gz IOVCQOTWYYFCLT-HZPDHXFCSA-N -1 0 342.439 3.617 20 0 EHADRM CCCN(C)c1ccc(C(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC001595840065 982758694 /nfs/dbraw/zinc/75/86/94/982758694.db2.gz PTDXGMZKUWTVGX-GFCCVEGCSA-N -1 0 331.368 3.742 20 0 EHADRM CC[C@@H](C)N1C(=O)N[C@H](c2ccc(Cl)s2)C(C(=O)[O-])=C1C ZINC001594985316 982799051 /nfs/dbraw/zinc/79/90/51/982799051.db2.gz MXJNECRQRBQLHV-JMCQJSRRSA-N -1 0 328.821 3.625 20 0 EHADRM CC[C@H](C)N1C(=O)N[C@H](c2ccc(Cl)s2)C(C(=O)[O-])=C1C ZINC001594985317 982799140 /nfs/dbraw/zinc/79/91/40/982799140.db2.gz MXJNECRQRBQLHV-JVXZTZIISA-N -1 0 328.821 3.625 20 0 EHADRM O=C([O-])C12CCC(C(=O)Nc3ccc(-c4ccon4)cc3)(CC1)CC2 ZINC000923217576 982848877 /nfs/dbraw/zinc/84/88/77/982848877.db2.gz DVYOAKNLHXVLSY-UHFFFAOYSA-N -1 0 340.379 3.705 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)Nc2c(F)cccc2C(=O)[O-])cc1 ZINC001594999390 982906408 /nfs/dbraw/zinc/90/64/08/982906408.db2.gz FLCLOWSIHFLPAX-LLVKDONJSA-N -1 0 331.343 3.954 20 0 EHADRM CCCN(Cc1cc(C(=O)[O-])ccc1Cl)[C@@H](CC)C(=O)OCC ZINC001595885867 982910796 /nfs/dbraw/zinc/91/07/96/982910796.db2.gz KDOUKAVJZNEUBM-HNNXBMFYSA-N -1 0 341.835 3.592 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)Nc2cnc(C(=O)[O-])c(Cl)c2)cc1 ZINC001595000318 982912760 /nfs/dbraw/zinc/91/27/60/982912760.db2.gz VGKYXFMLMORNRV-SNVBAGLBSA-N -1 0 348.786 3.863 20 0 EHADRM CC[C@@H](C)Oc1cc(Nc2ccc(C[C@H](C)C(=O)[O-])cc2)nc(C)n1 ZINC001595000857 982914176 /nfs/dbraw/zinc/91/41/76/982914176.db2.gz ZKGCKPPXXSOFEE-QWHCGFSZSA-N -1 0 343.427 3.969 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)N1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC001595004178 982916793 /nfs/dbraw/zinc/91/67/93/982916793.db2.gz HXKCLYXKAFFGQC-NRULIZHHSA-N -1 0 345.439 3.589 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)CC(C)(C)c2ccccc2)cc1 ZINC001116300090 982926500 /nfs/dbraw/zinc/92/65/00/982926500.db2.gz HTPXSBIINRTCOQ-SFHVURJKSA-N -1 0 339.435 3.995 20 0 EHADRM CC[C@H](C)Oc1ccc(NC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)cc1 ZINC001595008710 982929662 /nfs/dbraw/zinc/92/96/62/982929662.db2.gz QNSRYYVCHALPGT-CRFBAAHOSA-N -1 0 346.427 3.725 20 0 EHADRM CC[C@H](C)Oc1ccc(NC(=O)/C=C/c2cc(C(=O)[O-])co2)cc1 ZINC001595009349 982934426 /nfs/dbraw/zinc/93/44/26/982934426.db2.gz WDMWOMBUTJTQFD-BCPZQOPPSA-N -1 0 329.352 3.807 20 0 EHADRM CC[C@H](C)c1ccc(C(=O)COC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC001595010475 982940017 /nfs/dbraw/zinc/94/00/17/982940017.db2.gz RCUBQQAWHSQVOH-JQFCIGGWSA-N -1 0 346.423 3.817 20 0 EHADRM CC[C@H](C)c1ccc([C@H](NC(=O)NC[C@H](F)C(=O)[O-])C(C)C)cc1 ZINC001595010761 982943697 /nfs/dbraw/zinc/94/36/97/982943697.db2.gz WZFBHKCREHSLPH-VBNZEHGJSA-N -1 0 338.423 3.619 20 0 EHADRM CCCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cc(C(=O)[O-])co1 ZINC001595897185 982945774 /nfs/dbraw/zinc/94/57/74/982945774.db2.gz WTXIGCIVQQGCBB-CQSZACIVSA-N -1 0 334.759 3.608 20 0 EHADRM CCCOc1cc(F)ccc1NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001595952453 983128657 /nfs/dbraw/zinc/12/86/57/983128657.db2.gz RPCHZYYKARZNSD-UHFFFAOYSA-N -1 0 332.331 3.957 20 0 EHADRM O=C(N=c1nc(-c2ccccc2Cl)[n-]s1)N1CC2(C1)CCCC2 ZINC000547670503 1014915816 /nfs/dbraw/zinc/91/58/16/1014915816.db2.gz WJUGLDHUSKOJQV-UHFFFAOYSA-N -1 0 348.859 3.688 20 0 EHADRM CCCOc1ccc(NC(=O)N[C@H](CC(=O)[O-])C2CCCC2)cc1 ZINC001595960481 983152527 /nfs/dbraw/zinc/15/25/27/983152527.db2.gz JSNAHNXBICLPMB-MRXNPFEDSA-N -1 0 334.416 3.630 20 0 EHADRM CCCOc1cccc(C(=O)Nc2c(F)c(OC)ccc2C(=O)[O-])c1 ZINC001595967315 983178756 /nfs/dbraw/zinc/17/87/56/983178756.db2.gz MJXZLKGJQCFHJX-UHFFFAOYSA-N -1 0 347.342 3.574 20 0 EHADRM CCCOc1cccc(NC(=O)NCCc2cccc(C(=O)[O-])c2)c1 ZINC001595969532 983191754 /nfs/dbraw/zinc/19/17/54/983191754.db2.gz NZUDRIAELMXPDB-UHFFFAOYSA-N -1 0 342.395 3.538 20 0 EHADRM CCC[C@H](NC(=O)/C(C)=C/c1c(Cl)cccc1Cl)C(=O)[O-] ZINC001596010705 983270702 /nfs/dbraw/zinc/27/07/02/983270702.db2.gz BKIVIJNOYBPDJL-XEHSLEBBSA-N -1 0 330.211 3.766 20 0 EHADRM CCCc1c(C(=O)N2C[C@H](C)[C@H]2c2ccccc2)[nH]c(C)c1C(=O)[O-] ZINC001596031145 983301872 /nfs/dbraw/zinc/30/18/72/983301872.db2.gz RTUUDPOMVGGGCS-SGTLLEGYSA-N -1 0 340.423 3.807 20 0 EHADRM CCCc1c(C(=O)N2C[C@H](C)c3ccccc32)[nH]c(C)c1C(=O)[O-] ZINC001596031135 983302235 /nfs/dbraw/zinc/30/22/35/983302235.db2.gz RPOYHAFUKLGAIT-NSHDSACASA-N -1 0 326.396 3.738 20 0 EHADRM CCCc1c(C(=O)Nc2ccc(F)c(CC)c2)[nH]c(C)c1C(=O)[O-] ZINC001596045250 983331798 /nfs/dbraw/zinc/33/17/98/983331798.db2.gz GGMJURIUXBMYRH-UHFFFAOYSA-N -1 0 332.375 3.928 20 0 EHADRM Cc1ccc(C=C(Cl)c2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc1 ZINC000007502946 1014936301 /nfs/dbraw/zinc/93/63/01/1014936301.db2.gz GORDUSZUQIVKAW-ZSOIEALJSA-N -1 0 340.766 3.667 20 0 EHADRM CCCc1cc(=O)[nH]c(C(=Cc2ccc(C=CC(=O)[O-])o2)CC)n1 ZINC001596049980 983348156 /nfs/dbraw/zinc/34/81/56/983348156.db2.gz BQIUPNMKWXKBPJ-LVQHWDRTSA-N -1 0 328.368 3.776 20 0 EHADRM CCCc1cc(C(=O)Nc2cccc(CC(=O)[O-])n2)ccc1Cl ZINC001596056820 983361397 /nfs/dbraw/zinc/36/13/97/983361397.db2.gz HFFBCNHKWCVFBI-UHFFFAOYSA-N -1 0 332.787 3.567 20 0 EHADRM CCCc1ncc(C(=O)N(Cc2ccccc2)C(C)(C)C(=O)[O-])s1 ZINC001596099535 983423120 /nfs/dbraw/zinc/42/31/20/983423120.db2.gz LSWJIHARXKOSCV-UHFFFAOYSA-N -1 0 346.452 3.601 20 0 EHADRM CCN(C(=O)[C@@H](C)c1ccc(F)cc1F)c1ccccc1C(=O)[O-] ZINC001596130960 983477226 /nfs/dbraw/zinc/47/72/26/983477226.db2.gz FXXNMCKXPAIKKH-NSHDSACASA-N -1 0 333.334 3.820 20 0 EHADRM CCN(C(=O)CC1(CC(=O)[O-])CCCC1)c1ccc(F)c(F)c1 ZINC001596133723 983482529 /nfs/dbraw/zinc/48/25/29/983482529.db2.gz NUQBCCHAOLUEQQ-UHFFFAOYSA-N -1 0 325.355 3.743 20 0 EHADRM CCN(C(=O)Cc1cccc2cnccc21)c1ccccc1C(=O)[O-] ZINC001596143981 983499142 /nfs/dbraw/zinc/49/91/42/983499142.db2.gz ZEGGUIHJJKXXQC-UHFFFAOYSA-N -1 0 334.375 3.529 20 0 EHADRM CCN(C(=O)c1ccoc1CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001596170808 983535981 /nfs/dbraw/zinc/53/59/81/983535981.db2.gz MZGXHZPTNYTQQZ-UHFFFAOYSA-N -1 0 341.285 3.592 20 0 EHADRM CCN(CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)c1cc(C)ccc1C ZINC001596228086 983619274 /nfs/dbraw/zinc/61/92/74/983619274.db2.gz DCZOHINJUOPKPH-UHFFFAOYSA-N -1 0 328.412 3.656 20 0 EHADRM CCN(Cc1ccncc1)Cc1cc(C(=O)[O-])ccc1Br ZINC001596375398 983885749 /nfs/dbraw/zinc/88/57/49/983885749.db2.gz ZEBRRUZUHAWIDQ-UHFFFAOYSA-N -1 0 349.228 3.564 20 0 EHADRM CCNc1ccc(C)cc1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001596501491 984256304 /nfs/dbraw/zinc/25/63/04/984256304.db2.gz WXCQYLDPDJSUNY-UHFFFAOYSA-N -1 0 326.396 3.696 20 0 EHADRM CCOC(=O)C1(C)CC(Nc2ccc3sc(C(=O)[O-])cc3c2)C1 ZINC001596552661 984418638 /nfs/dbraw/zinc/41/86/38/984418638.db2.gz PMMLDVYBKOJQCA-UHFFFAOYSA-N -1 0 333.409 3.743 20 0 EHADRM C=COc1ccc(NC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC001588914428 984558482 /nfs/dbraw/zinc/55/84/82/984558482.db2.gz WDCJVDGDSYBWFC-SUMWQHHRSA-N -1 0 340.379 3.792 20 0 EHADRM C=Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2-n2cc(C)cn2)cc1 ZINC001588919864 984574535 /nfs/dbraw/zinc/57/45/35/984574535.db2.gz SHWJJDACSZMKES-UHFFFAOYSA-N -1 0 347.374 3.774 20 0 EHADRM CCOC(=O)CCS[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001596613814 984577028 /nfs/dbraw/zinc/57/70/28/984577028.db2.gz LBBAIAXXSQPHIO-LBPRGKRZSA-N -1 0 337.224 3.806 20 0 EHADRM CCOC(=O)CCS[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001596614052 984579301 /nfs/dbraw/zinc/57/93/01/984579301.db2.gz XTTKRYTUOZKUMG-LBPRGKRZSA-N -1 0 337.224 3.806 20 0 EHADRM C/C(=C(/F)C(=O)N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)C1CC1 ZINC001588933482 984612702 /nfs/dbraw/zinc/61/27/02/984612702.db2.gz UJZXKHXFECQFBZ-FSBNRTBOSA-N -1 0 345.292 3.601 20 0 EHADRM C/C(=C\C(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1)c1ccccc1C ZINC001588938399 984621401 /nfs/dbraw/zinc/62/14/01/984621401.db2.gz AIMFQJBJCVCYKY-GRFAERAESA-N -1 0 337.419 3.957 20 0 EHADRM C/C(=C/C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)c1ccccc1C ZINC001588938488 984622364 /nfs/dbraw/zinc/62/23/64/984622364.db2.gz GCNWNNYHYKYWHF-XHVGKJTDSA-N -1 0 337.419 3.557 20 0 EHADRM C/C(=C\C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)c1ccccc1C ZINC001588938484 984622516 /nfs/dbraw/zinc/62/25/16/984622516.db2.gz GCNWNNYHYKYWHF-RDOKFVIMSA-N -1 0 337.419 3.557 20 0 EHADRM C/C(=C/C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1)c1ccccc1 ZINC001588943948 984642810 /nfs/dbraw/zinc/64/28/10/984642810.db2.gz KAPLIUTWAZEKGK-KXXVWKPMSA-N -1 0 343.354 3.720 20 0 EHADRM C/C(=C\C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1)c1ccccc1 ZINC001588943949 984642848 /nfs/dbraw/zinc/64/28/48/984642848.db2.gz KAPLIUTWAZEKGK-RSKUSDAESA-N -1 0 343.354 3.720 20 0 EHADRM C/C(=C/C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1)c1ccccc1 ZINC001588945984 984655056 /nfs/dbraw/zinc/65/50/56/984655056.db2.gz ONEZBGNKGKPCHM-LUAWRHEFSA-N -1 0 330.409 3.547 20 0 EHADRM C/C(=C\C1CCC(C)CC1)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001588956524 984705256 /nfs/dbraw/zinc/70/52/56/984705256.db2.gz RYSWVBLBCJXFNB-DKJYAWOMSA-N -1 0 341.451 3.970 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)NCC(C)(C)CC(=O)[O-] ZINC001599905632 984919391 /nfs/dbraw/zinc/91/93/91/984919391.db2.gz TWXXZUQJLOPUMD-LLVKDONJSA-N -1 0 326.824 3.543 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001588995422 984923824 /nfs/dbraw/zinc/92/38/24/984923824.db2.gz JHGUWXJOJYVXRH-PEZBUJJGSA-N -1 0 329.440 3.940 20 0 EHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)OCc1cccc(C(=O)[O-])n1 ZINC001588998514 984935647 /nfs/dbraw/zinc/93/56/47/984935647.db2.gz LXBBTEXJWJGAQE-PKNBQFBNSA-N -1 0 331.755 3.580 20 0 EHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)NCCc1ccccc1C(=O)[O-] ZINC001588998605 984935789 /nfs/dbraw/zinc/93/57/89/984935789.db2.gz MUNJCXIYOWPSGH-OUKQBFOZSA-N -1 0 343.810 3.800 20 0 EHADRM C/C(=C/c1ccccc1Cl)C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001589003521 984953369 /nfs/dbraw/zinc/95/33/69/984953369.db2.gz CLNLMBNCJPUUPD-NTMALXAHSA-N -1 0 335.812 3.819 20 0 EHADRM CCn1c(C)cc(C([O-])=C[S@](=O)Cc2ccc(Cl)cc2)c1C ZINC000126901191 1015084773 /nfs/dbraw/zinc/08/47/73/1015084773.db2.gz PVLMIXZSPDFQKF-QFIPXVFZSA-N -1 0 337.872 3.910 20 0 EHADRM C/C(=C/c1ccccn1)C(=O)Oc1cccc2c(CC(=O)[O-])cccc12 ZINC001589005101 984962809 /nfs/dbraw/zinc/96/28/09/984962809.db2.gz ATADTYYKYNFRFQ-OWBHPGMISA-N -1 0 347.370 3.871 20 0 EHADRM C/C(=C/c1ccncc1)C(=O)Oc1cccc2c(CC(=O)[O-])cccc12 ZINC001589011222 984988168 /nfs/dbraw/zinc/98/81/68/984988168.db2.gz UMKFGXIERMOHTJ-OWBHPGMISA-N -1 0 347.370 3.871 20 0 EHADRM CCO[C@@H](C(=O)Nc1ccc(CC)cc1C(=O)[O-])c1ccccc1 ZINC001596766676 985174013 /nfs/dbraw/zinc/17/40/13/985174013.db2.gz DRZGASIEEQBPAS-QGZVFWFLSA-N -1 0 327.380 3.664 20 0 EHADRM CCO[C@@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)C1CCCC1 ZINC001596767897 985182224 /nfs/dbraw/zinc/18/22/24/985182224.db2.gz QOEVUWSVOCBBMR-CQSZACIVSA-N -1 0 343.782 3.711 20 0 EHADRM CCO[C@@H](CNC(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccccc1 ZINC001596792241 985282441 /nfs/dbraw/zinc/28/24/41/985282441.db2.gz VGJBZJDUBJXCGD-INIZCTEOSA-N -1 0 347.798 3.546 20 0 EHADRM CCOC1(C(=O)OCc2c3ccccc3sc2C(=O)[O-])CCC1 ZINC001596797792 985302123 /nfs/dbraw/zinc/30/21/23/985302123.db2.gz CFQGOXPWOLDOMI-UHFFFAOYSA-N -1 0 334.393 3.602 20 0 EHADRM CCOC1CC(C(=O)Nc2scc(-c3ccccc3)c2C(=O)[O-])C1 ZINC001596805403 985334481 /nfs/dbraw/zinc/33/44/81/985334481.db2.gz WFONEYDIUYMVGB-UHFFFAOYSA-N -1 0 345.420 3.867 20 0 EHADRM CCOC1CC(CSCC(=O)c2c[nH]c3ccc(C(=O)[O-])cc32)C1 ZINC001596810797 985354324 /nfs/dbraw/zinc/35/43/24/985354324.db2.gz WRQPZUGGBDVJDS-UHFFFAOYSA-N -1 0 347.436 3.597 20 0 EHADRM C[C@H]1Cc2ccccc2N(C(=O)[C@@H]2CCCC3(CC3)C2)[C@H]1C(=O)[O-] ZINC001599937037 985408278 /nfs/dbraw/zinc/40/82/78/985408278.db2.gz IZMQEMXLHYICBN-YSVLISHTSA-N -1 0 327.424 3.635 20 0 EHADRM C[C@]1(C(=O)Nc2nc(CCCC(=O)[O-])cs2)C[C@@H]1c1ccccc1 ZINC001599938042 985420389 /nfs/dbraw/zinc/42/03/89/985420389.db2.gz WXEPNXLXYYIRHN-KDOFPFPSSA-N -1 0 344.436 3.683 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)N2CCc3c2cccc3Cl)c(C)c1C(=O)[O-] ZINC001599946838 985540985 /nfs/dbraw/zinc/54/09/85/985540985.db2.gz XFQQWONSJAOWKR-NSHDSACASA-N -1 0 346.814 3.617 20 0 EHADRM Cc1[nH]c(C(=O)[C@@H](C)SCc2coc(C3CC3)n2)c(C)c1C(=O)[O-] ZINC001599947781 985558243 /nfs/dbraw/zinc/55/82/43/985558243.db2.gz HLEYHUGYYCNPSK-SNVBAGLBSA-N -1 0 348.424 3.700 20 0 EHADRM CC(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)cc1 ZINC001589186530 985574845 /nfs/dbraw/zinc/57/48/45/985574845.db2.gz VAZJFGPAWHESQX-UHFFFAOYSA-N -1 0 348.358 3.749 20 0 EHADRM CC(=O)Nc1ccc(S[C@H](Cc2ccc(F)cc2)C(=O)[O-])cc1 ZINC001589204360 985661739 /nfs/dbraw/zinc/66/17/39/985661739.db2.gz WSCARWLIUMAWKF-MRXNPFEDSA-N -1 0 333.384 3.572 20 0 EHADRM Cc1[nH]c(C(=O)Nc2ccc(OC(C)C)cc2F)c(C)c1C(=O)[O-] ZINC001599954898 985671722 /nfs/dbraw/zinc/67/17/22/985671722.db2.gz QDDOQJGIHXVERX-UHFFFAOYSA-N -1 0 334.347 3.508 20 0 EHADRM Cc1[nH]c(C(=O)OC[C@@H](OC(C)C)c2ccccc2)c(C)c1C(=O)[O-] ZINC001599960212 985767171 /nfs/dbraw/zinc/76/71/71/985767171.db2.gz MZNSXWSXQZPDIE-OAHLLOKOSA-N -1 0 345.395 3.653 20 0 EHADRM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)C(C)(C)C1CCCCC1 ZINC001596908309 985905989 /nfs/dbraw/zinc/90/59/89/985905989.db2.gz RBBFWGCJWNCKCC-HNNXBMFYSA-N -1 0 341.492 3.569 20 0 EHADRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC001599966166 985910430 /nfs/dbraw/zinc/91/04/30/985910430.db2.gz IWLSIQMUUNFHQU-SCLBCKFNSA-N -1 0 348.830 3.893 20 0 EHADRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N([C@@H](C)C(=O)[O-])C1CCC1 ZINC001599966372 985913284 /nfs/dbraw/zinc/91/32/84/985913284.db2.gz PMGYNKQEAPOLKU-JTQLQIEISA-N -1 0 334.803 3.598 20 0 EHADRM Cc1[nH]c2ccccc2c1C(=O)NC[C@H](C(=O)[O-])C1CCCCCC1 ZINC001599966702 985919264 /nfs/dbraw/zinc/91/92/64/985919264.db2.gz WCMFYMASRPAASS-INIZCTEOSA-N -1 0 342.439 3.877 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)c1ccc2nccc(C)c2c1 ZINC001589267237 985945608 /nfs/dbraw/zinc/94/56/08/985945608.db2.gz ZCQPKSWLFVFYJM-UHFFFAOYSA-N -1 0 349.342 3.663 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c(F)c1 ZINC001589277151 985992480 /nfs/dbraw/zinc/99/24/80/985992480.db2.gz DPQDKANMUFINPO-NSHDSACASA-N -1 0 343.354 3.544 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1C ZINC001589277635 985996817 /nfs/dbraw/zinc/99/68/17/985996817.db2.gz UNGYZYJMMBEIAY-UHFFFAOYSA-N -1 0 331.755 3.802 20 0 EHADRM CC(=O)c1ccc(NC(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)cc1C ZINC001589290068 986023777 /nfs/dbraw/zinc/02/37/77/986023777.db2.gz HNLXJUIFRRHCHP-QGZVFWFLSA-N -1 0 346.427 3.600 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001599978561 986129971 /nfs/dbraw/zinc/12/99/71/986129971.db2.gz KDILACWJFTUMEA-VOJFVSQTSA-N -1 0 347.798 3.722 20 0 EHADRM CC(=O)c1csc(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)c1 ZINC001589322530 986133207 /nfs/dbraw/zinc/13/32/07/986133207.db2.gz GCBNNGIGFRIWMK-UHFFFAOYSA-N -1 0 341.747 3.694 20 0 EHADRM CC(=O)c1csc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)c1 ZINC001589323113 986141388 /nfs/dbraw/zinc/14/13/88/986141388.db2.gz VYIPLEFNSHDDNS-UHFFFAOYSA-N -1 0 341.747 3.694 20 0 EHADRM Cc1c(F)c(C(F)(F)F)ccc1C(=O)NCCCCCCC(=O)[O-] ZINC001599980053 986151383 /nfs/dbraw/zinc/15/13/83/986151383.db2.gz GGVUNLDZQRFEBF-UHFFFAOYSA-N -1 0 349.324 3.918 20 0 EHADRM Cc1c(C(=O)NCCCCCCC(=O)[O-])ccn1Cc1ccccc1 ZINC001599980835 986160611 /nfs/dbraw/zinc/16/06/11/986160611.db2.gz USNBSZCTUWULKZ-UHFFFAOYSA-N -1 0 342.439 3.610 20 0 EHADRM CCOCc1ccc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC001596963984 986164326 /nfs/dbraw/zinc/16/43/26/986164326.db2.gz BTUVORRFCKSKNZ-UHFFFAOYSA-N -1 0 342.395 3.884 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)NCc1ccccc1C(=O)[O-] ZINC001599981515 986169292 /nfs/dbraw/zinc/16/92/92/986169292.db2.gz LZUSFIDLDZUAIY-UHFFFAOYSA-N -1 0 343.379 3.977 20 0 EHADRM Cc1c(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2O)ccn1C(C)C ZINC001599982787 986187153 /nfs/dbraw/zinc/18/71/53/986187153.db2.gz BPPPDQQXQHVLND-UHFFFAOYSA-N -1 0 336.775 3.687 20 0 EHADRM Cc1c2ccccc2oc1C(=O)Nc1c(F)ccc(F)c1C(=O)[O-] ZINC001599983504 986197265 /nfs/dbraw/zinc/19/72/65/986197265.db2.gz TVVRJXPSYKCKEI-UHFFFAOYSA-N -1 0 331.274 3.970 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)Nc1cccnc1C(=O)[O-] ZINC001599984048 986205563 /nfs/dbraw/zinc/20/55/63/986205563.db2.gz PAKMMKZXMCZELJ-UHFFFAOYSA-N -1 0 330.340 3.694 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)c3sccc3F)ccc2n1C ZINC001599984632 986212897 /nfs/dbraw/zinc/21/28/97/986212897.db2.gz VCKVTZSEDVDNAP-UHFFFAOYSA-N -1 0 333.340 3.605 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1[C@@H](C)[C@@H]1c1ccccc1 ZINC001597008752 986336515 /nfs/dbraw/zinc/33/65/15/986336515.db2.gz DDGFHWMQSSBYNB-JBBXEZCESA-N -1 0 339.391 3.772 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001597009311 986342450 /nfs/dbraw/zinc/34/24/50/986342450.db2.gz MFDBTEVJTLKBEM-ZIAGYGMSSA-N -1 0 331.412 3.938 20 0 EHADRM C[C@@H](C(=O)N1CCCCc2cc(C(=O)[O-])ccc21)c1cccs1 ZINC001589358357 986348203 /nfs/dbraw/zinc/34/82/03/986348203.db2.gz APUHEVVUZCGLLO-GFCCVEGCSA-N -1 0 329.421 3.919 20 0 EHADRM C[C@H](C(=O)N1CCCCc2cc(C(=O)[O-])ccc21)c1cccc(F)c1 ZINC001589358399 986348223 /nfs/dbraw/zinc/34/82/23/986348223.db2.gz AZBDIWLWTLZYGI-ZDUSSCGKSA-N -1 0 341.382 3.997 20 0 EHADRM C[C@H](C(=O)N1CCCc2c(C(=O)[O-])cccc21)c1ccc(F)c(F)c1 ZINC001589359559 986358465 /nfs/dbraw/zinc/35/84/65/986358465.db2.gz UCCFVLHPUGLBBX-NSHDSACASA-N -1 0 345.345 3.746 20 0 EHADRM C[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)c1ccc2ccccc2c1 ZINC001589368725 986402623 /nfs/dbraw/zinc/40/26/23/986402623.db2.gz DRETWGVSGFSBOD-XQAUZQBESA-N -1 0 337.419 3.657 20 0 EHADRM C[C@H](C(=O)N1CCc2cccc(C(=O)[O-])c2C1)c1cc2ccccc2o1 ZINC001589369344 986413177 /nfs/dbraw/zinc/41/31/77/986413177.db2.gz WBICFGBAUUUDKJ-ZDUSSCGKSA-N -1 0 349.386 3.819 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1cc(C)n([C@@H](C)CC)n1 ZINC001597021836 986414542 /nfs/dbraw/zinc/41/45/42/986414542.db2.gz CCEXKTQXHZCXQI-NSHDSACASA-N -1 0 345.399 3.512 20 0 EHADRM CCOc1cc(C)ccc1NC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001597032756 986457785 /nfs/dbraw/zinc/45/77/85/986457785.db2.gz RBWDHXUSVJKCSC-MGPUTAFESA-N -1 0 339.391 3.591 20 0 EHADRM C[C@H]1CSC(S[C@H](C(=O)[O-])c2ccccc2Br)=N1 ZINC001594609595 986596527 /nfs/dbraw/zinc/59/65/27/986596527.db2.gz HZXPWGJAGQQMFF-XVKPBYJWSA-N -1 0 346.271 3.799 20 0 EHADRM C[C@@H]1Cc2ccccc2N(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1 ZINC001594622348 986665181 /nfs/dbraw/zinc/66/51/81/986665181.db2.gz BGPUNPPPTONDHT-WPUWVODUSA-N -1 0 327.424 3.637 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(CC(=O)[O-])c(F)c1)c1cccc(Cl)c1 ZINC001589435880 986746952 /nfs/dbraw/zinc/74/69/52/986746952.db2.gz MWEUOMWTJBCVHQ-SNVBAGLBSA-N -1 0 335.762 3.848 20 0 EHADRM CCOc1ccc(Cl)c(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC001597107091 986753144 /nfs/dbraw/zinc/75/31/44/986753144.db2.gz YPTIZSOHGVYPGD-GHMZBOCLSA-N -1 0 325.792 3.568 20 0 EHADRM CCOc1ccc(NC(=O)c2cc(C)sc2C)c(C(=O)[O-])c1F ZINC001597122239 986816444 /nfs/dbraw/zinc/81/64/44/986816444.db2.gz CZZNRAXEVGTHHJ-UHFFFAOYSA-N -1 0 337.372 3.853 20 0 EHADRM C[C@@H](C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2)[C@@H](C)C(C)(C)C ZINC001589448104 986819248 /nfs/dbraw/zinc/81/92/48/986819248.db2.gz ANKHIHGFDWUSTA-NXEZZACHSA-N -1 0 339.457 3.776 20 0 EHADRM CCOc1ccc(NCc2ccc(/C=C/C(=O)[O-])o2)c2ncccc12 ZINC001597123665 986826558 /nfs/dbraw/zinc/82/65/58/986826558.db2.gz PRFDFWBFXUOHNJ-JXMROGBWSA-N -1 0 338.363 3.936 20 0 EHADRM CC(C)(C)C(=O)Nc1ccc(-c2cccc(OCCC(=O)[O-])c2)cn1 ZINC000579853470 1015263369 /nfs/dbraw/zinc/26/33/69/1015263369.db2.gz QXLBMNMDJNASLD-UHFFFAOYSA-N -1 0 342.395 3.587 20 0 EHADRM C[C@H]1SCCN(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)[C@@H]1C ZINC001594664750 986955624 /nfs/dbraw/zinc/95/56/24/986955624.db2.gz YHQXJVBTMOWFDC-HTQZYQBOSA-N -1 0 346.811 3.535 20 0 EHADRM C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001594665924 986962245 /nfs/dbraw/zinc/96/22/45/986962245.db2.gz NVJAONDGKPJSSF-SECBINFHSA-N -1 0 349.308 3.562 20 0 EHADRM C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001594666231 986964432 /nfs/dbraw/zinc/96/44/32/986964432.db2.gz SBNCPMUEIARRLW-INTQDDNPSA-N -1 0 342.222 3.550 20 0 EHADRM CCOc1ccccc1-c1nnc(S[C@H](C(=O)[O-])[C@H](C)CC)o1 ZINC001597168069 986995046 /nfs/dbraw/zinc/99/50/46/986995046.db2.gz WNPMNLYYJPDJBR-MFKMUULPSA-N -1 0 336.413 3.727 20 0 EHADRM Cc1cnc(CCNC(=O)c2c([O-])cc(Cl)cc2Cl)c(C)c1 ZINC000655250037 1015269395 /nfs/dbraw/zinc/26/93/95/1015269395.db2.gz UVBDKWGVAXIXAQ-UHFFFAOYSA-N -1 0 339.222 3.683 20 0 EHADRM CCOc1ccccc1NC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001597179924 987041041 /nfs/dbraw/zinc/04/10/41/987041041.db2.gz NKWMWYUYYCKFMY-UHFFFAOYSA-N -1 0 339.351 3.909 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2Cc3ccc(Cl)cc32)cc1 ZINC001589502226 987103858 /nfs/dbraw/zinc/10/38/58/987103858.db2.gz CJROUKHOHAWERX-QLJPJBMISA-N -1 0 329.783 3.807 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N(C)Cc2c(F)cccc2F)cc1 ZINC001589503682 987109839 /nfs/dbraw/zinc/10/98/39/987109839.db2.gz GXZWCUWPEFDNPJ-LLVKDONJSA-N -1 0 348.349 3.817 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)CCOc2ccc(Cl)cc2)cc1 ZINC001589505612 987121124 /nfs/dbraw/zinc/12/11/24/987121124.db2.gz VPNDQPJECFXYHK-GFCCVEGCSA-N -1 0 347.798 3.936 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)CCn2ccc3ccccc32)cc1 ZINC001589505841 987123231 /nfs/dbraw/zinc/12/32/31/987123231.db2.gz ZENPIMPQPCYBEV-CQSZACIVSA-N -1 0 336.391 3.858 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NCC(C)(C)C(C)(F)F)cc1 ZINC001589513549 987159596 /nfs/dbraw/zinc/15/95/96/987159596.db2.gz WFRFIKSNSFEXNM-SNVBAGLBSA-N -1 0 328.359 3.678 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N[C@@H]2CSc3ccccc32)cc1 ZINC001589513533 987159631 /nfs/dbraw/zinc/15/96/31/987159631.db2.gz VSUCIORZYRVRCL-XHDPSFHLSA-N -1 0 342.420 3.843 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N[C@@H]2CSc3ccccc32)cc1 ZINC001589513531 987159633 /nfs/dbraw/zinc/15/96/33/987159633.db2.gz VSUCIORZYRVRCL-IAQYHMDHSA-N -1 0 342.420 3.843 20 0 EHADRM CCC(=O)c1cccc(NC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1 ZINC001594722515 987213139 /nfs/dbraw/zinc/21/31/39/987213139.db2.gz RARKENWANPYGMO-CQSZACIVSA-N -1 0 346.427 3.634 20 0 EHADRM CC[C@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1)c1ccc(F)cc1 ZINC001594728343 987234069 /nfs/dbraw/zinc/23/40/69/987234069.db2.gz DWUYZBLAZPMKJQ-DLBZAZTESA-N -1 0 347.361 3.791 20 0 EHADRM CC[C@@H](C(=O)NC(C)(C)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001594728514 987234850 /nfs/dbraw/zinc/23/48/50/987234850.db2.gz GIMCBHQKMKDJDF-GFCCVEGCSA-N -1 0 331.334 3.569 20 0 EHADRM C[C@H](C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl)C(C)(F)F ZINC001589539393 987235251 /nfs/dbraw/zinc/23/52/51/987235251.db2.gz DJWLMYSNSYMNAB-LDWIPMOCSA-N -1 0 341.137 3.954 20 0 EHADRM CC[C@@H](C(=O)N1C[C@H](C(=O)[O-])Cc2ccccc21)c1ccc(F)cc1 ZINC001594729700 987245364 /nfs/dbraw/zinc/24/53/64/987245364.db2.gz LBDKFSFVZQXTKF-NVXWUHKLSA-N -1 0 341.382 3.609 20 0 EHADRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1)c1ccc(F)cc1 ZINC001594730118 987248737 /nfs/dbraw/zinc/24/87/37/987248737.db2.gz ZVJGEPJBWVLPRO-MSOLQXFVSA-N -1 0 343.398 3.960 20 0 EHADRM CCS[C@@H](C)c1noc(CNc2ccc(CC)cc2C(=O)[O-])n1 ZINC001597252888 987251254 /nfs/dbraw/zinc/25/12/54/987251254.db2.gz SSRKMCVWAKSRIU-JTQLQIEISA-N -1 0 335.429 3.756 20 0 EHADRM CC[C@H](C(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1)C1CCC(C)CC1 ZINC001594730603 987251933 /nfs/dbraw/zinc/25/19/33/987251933.db2.gz WQZKOJQVTINOHB-BRNNPLJLSA-N -1 0 349.393 3.705 20 0 EHADRM CC[C@@H](C(=O)Nc1cc(F)cc(C(=O)[O-])c1F)c1ccc(OC)cc1 ZINC001594735909 987271958 /nfs/dbraw/zinc/27/19/58/987271958.db2.gz QRHYSHIRCOUBSM-CYBMUJFWSA-N -1 0 349.333 3.804 20 0 EHADRM C[C@H](C(=O)OCCCCCC(=O)[O-])c1cccc(Br)c1 ZINC001589548824 987280797 /nfs/dbraw/zinc/28/07/97/987280797.db2.gz PPTLNUMEHTWIFX-NSHDSACASA-N -1 0 343.217 3.741 20 0 EHADRM CCSc1cccc(C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001597272422 987320466 /nfs/dbraw/zinc/32/04/66/987320466.db2.gz CMNJZPDPHGEZRH-INIZCTEOSA-N -1 0 347.411 3.536 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccccc1F ZINC001597288900 987375439 /nfs/dbraw/zinc/37/54/39/987375439.db2.gz XVELKUYJFDMBDA-MRXNPFEDSA-N -1 0 346.358 3.562 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)[C@@H]1CCCCC1(F)F)c1ccccc1 ZINC001589591543 987398024 /nfs/dbraw/zinc/39/80/24/987398024.db2.gz LDOFQPPPAOTBJA-KBPBESRZSA-N -1 0 339.382 3.780 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C)c1ccccc1 ZINC001597335950 987472591 /nfs/dbraw/zinc/47/25/91/987472591.db2.gz GHAUZDKRBIWKJI-HNNXBMFYSA-N -1 0 341.411 3.724 20 0 EHADRM CC[C@H](NC(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccccc1F ZINC001597336977 987476435 /nfs/dbraw/zinc/47/64/35/987476435.db2.gz XPSXVPUUIGAKAS-KRWDZBQOSA-N -1 0 344.386 3.517 20 0 EHADRM CC(C)(CC(=O)N(Cc1ccccc1)C(C)(C)C(=O)[O-])C(F)(F)F ZINC001589616826 987485855 /nfs/dbraw/zinc/48/58/55/987485855.db2.gz PBGPUAPYVGYCAH-UHFFFAOYSA-N -1 0 345.361 3.857 20 0 EHADRM CCc1[nH]c(C(=O)N2CC[C@@H](C)[C@@H]2c2ccccc2)c(C)c1C(=O)[O-] ZINC001597357765 987510084 /nfs/dbraw/zinc/51/00/84/987510084.db2.gz JZNNPOUFSRLUDT-KZULUSFZSA-N -1 0 340.423 3.807 20 0 EHADRM CCc1[nH]c(C(=O)N2CC[C@@]2(C)C2CCCCC2)c(C)c1C(=O)[O-] ZINC001597361054 987516217 /nfs/dbraw/zinc/51/62/17/987516217.db2.gz LKCFRXZWLCLOGA-IBGZPJMESA-N -1 0 332.444 3.769 20 0 EHADRM CCc1[nH]c(C(=O)N[C@H]2c3ccccc3CC[C@H]2C)c(C)c1C(=O)[O-] ZINC001597367141 987540646 /nfs/dbraw/zinc/54/06/46/987540646.db2.gz NMFHRHCYQYUATJ-PIGZYNQJSA-N -1 0 340.423 3.637 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)/C=C/c2ccc(C=O)cc2)cc1 ZINC001589634030 987548482 /nfs/dbraw/zinc/54/84/82/987548482.db2.gz OCHQJZFLZJOUHH-KPKJPENVSA-N -1 0 337.375 3.513 20 0 EHADRM CCc1[nH]c(C(=O)Nc2ccc(O)c(C(C)C)c2)c(C)c1C(=O)[O-] ZINC001597373723 987559427 /nfs/dbraw/zinc/55/94/27/987559427.db2.gz ZCJHDOBHBLLVSG-UHFFFAOYSA-N -1 0 330.384 3.665 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NCc2cc(-n3ccnc3)cs2)cc1 ZINC001589640798 987562905 /nfs/dbraw/zinc/56/29/05/987562905.db2.gz GRFZTASWXVNEFU-UHFFFAOYSA-N -1 0 341.436 3.908 20 0 EHADRM CCc1c(C(=O)OCc2ccc(C(=O)[O-])s2)cnn1C1CCCC1 ZINC001597414738 987712896 /nfs/dbraw/zinc/71/28/96/987712896.db2.gz ISBKQMHENLWAGD-UHFFFAOYSA-N -1 0 348.424 3.677 20 0 EHADRM CCc1c(C(=O)OCc2ccccc2C(=O)[O-])cnn1C1CCCC1 ZINC001597415120 987714595 /nfs/dbraw/zinc/71/45/95/987714595.db2.gz LXOYGQXSVOSGFT-UHFFFAOYSA-N -1 0 342.395 3.616 20 0 EHADRM CC(C)(C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1)[C@H]1CCCCO1 ZINC001589681909 987716848 /nfs/dbraw/zinc/71/68/48/987716848.db2.gz KFUWJBHCZMQQLG-CYBMUJFWSA-N -1 0 326.776 3.539 20 0 EHADRM CCc1c(NCc2ccoc2C(=O)[O-])cnn1-c1cccc(Cl)c1 ZINC001597420296 987733298 /nfs/dbraw/zinc/73/32/98/987733298.db2.gz ZXXDWRAIUQHNBQ-UHFFFAOYSA-N -1 0 345.786 3.991 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)NCc2ccoc2C(=O)[O-])cc1 ZINC001589696872 987777232 /nfs/dbraw/zinc/77/72/32/987777232.db2.gz PRTCFFFUMNUBGH-UHFFFAOYSA-N -1 0 344.367 3.528 20 0 EHADRM CCc1cc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)ccc1O ZINC001597437568 987784765 /nfs/dbraw/zinc/78/47/65/987784765.db2.gz PVVZXWPQKIPOQS-UHFFFAOYSA-N -1 0 345.420 3.525 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC001589703250 987806098 /nfs/dbraw/zinc/80/60/98/987806098.db2.gz WGNPWICXEJAHLT-CQSZACIVSA-N -1 0 345.399 3.716 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)Cc1ccccc1F ZINC001597449453 987833590 /nfs/dbraw/zinc/83/35/90/987833590.db2.gz DIVRJHAKKXKQRO-LBPRGKRZSA-N -1 0 329.371 3.904 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)/C=C\c1ccc(OC)cc1 ZINC001597450285 987839499 /nfs/dbraw/zinc/83/94/99/987839499.db2.gz URYNAKVBVGDKHB-WDZFZDKYSA-N -1 0 325.364 3.608 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)Cn1c(C)cc2ccccc21 ZINC001597452573 987848835 /nfs/dbraw/zinc/84/88/35/987848835.db2.gz RJWUNJGRMDOTNR-UHFFFAOYSA-N -1 0 336.391 3.849 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NC[C@H]1CCCC1(F)F ZINC001597457099 987869312 /nfs/dbraw/zinc/86/93/12/987869312.db2.gz HAAYOOFYTGTDOM-GFCCVEGCSA-N -1 0 326.343 3.504 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@H](C)c1cccc(OC)c1 ZINC001597457526 987874627 /nfs/dbraw/zinc/87/46/27/987874627.db2.gz VGINJODTPHWEJP-GFCCVEGCSA-N -1 0 342.395 3.839 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCCc1ccc(C)c(C)c1 ZINC001597459565 987886595 /nfs/dbraw/zinc/88/65/95/987886595.db2.gz JRWKIBQOSXHQRH-UHFFFAOYSA-N -1 0 340.423 3.928 20 0 EHADRM CS[C@@H](C)CC(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001599784177 987894439 /nfs/dbraw/zinc/89/44/39/987894439.db2.gz SIQWBNSJTBQAMI-VIFPVBQESA-N -1 0 347.889 3.987 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(-c2cn[nH]c2)cc1 ZINC001597465273 987902136 /nfs/dbraw/zinc/90/21/36/987902136.db2.gz RLOBCHUNOUYWAT-UHFFFAOYSA-N -1 0 335.363 3.590 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1n[nH]c2ccc(Cl)cc21 ZINC001597466215 987910152 /nfs/dbraw/zinc/91/01/52/987910152.db2.gz NHSPKQZXKWRZCD-UHFFFAOYSA-N -1 0 343.770 3.729 20 0 EHADRM CC(C)(C)C1=N/C(=C/c2ccc(-c3ccccc3C(=O)[O-])o2)C(=O)O1 ZINC001589726838 987915652 /nfs/dbraw/zinc/91/56/52/987915652.db2.gz PRHASSUZLPAKMI-GXDHUFHOSA-N -1 0 339.347 3.987 20 0 EHADRM CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)c1cccc(CC(=O)[O-])c1 ZINC001589729299 987942732 /nfs/dbraw/zinc/94/27/32/987942732.db2.gz WSFDYBHFSDHPJY-IAGOWNOFSA-N -1 0 331.456 3.896 20 0 EHADRM CCc1cc(O)ccc1NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001597482593 987979894 /nfs/dbraw/zinc/97/98/94/987979894.db2.gz NJGLNBLFLINHMA-UHFFFAOYSA-N -1 0 328.368 3.616 20 0 EHADRM CCc1cc(Sc2ccc(C(=O)[O-])cc2)nc(-c2ccncc2)n1 ZINC001597489061 988005616 /nfs/dbraw/zinc/00/56/16/988005616.db2.gz WQEMVLAFSINHDN-UHFFFAOYSA-N -1 0 337.404 3.950 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N3CCCCC[C@@H]3C(=O)[O-])o2)cc1 ZINC001597492355 988028410 /nfs/dbraw/zinc/02/84/10/988028410.db2.gz NGUYGEFNVNAJFC-MRXNPFEDSA-N -1 0 341.407 3.978 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)NCc3cc(C(=O)[O-])co3)o2)cc1 ZINC001597492898 988033669 /nfs/dbraw/zinc/03/36/69/988033669.db2.gz XRZBGLFIXRNLPB-UHFFFAOYSA-N -1 0 339.347 3.730 20 0 EHADRM CC(C)(C)C[C@@H](Nc1nn2cc(C3CCCC3)nc2s1)C(=O)[O-] ZINC001589757179 988070643 /nfs/dbraw/zinc/07/06/43/988070643.db2.gz NVHGEJUXFCXNSO-LLVKDONJSA-N -1 0 336.461 3.750 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)[C@@H]1SCCc2sccc21)C(=O)[O-] ZINC001589760140 988082220 /nfs/dbraw/zinc/08/22/20/988082220.db2.gz OXDVBLJFISZZSE-ZYHUDNBSSA-N -1 0 328.455 3.511 20 0 EHADRM CCc1ccc(C(=O)[O-])c(OC(=O)c2cccc3oc(C)nc32)c1 ZINC001597507364 988083066 /nfs/dbraw/zinc/08/30/66/988083066.db2.gz WDPBBZYKPBXCOS-UHFFFAOYSA-N -1 0 325.320 3.616 20 0 EHADRM CCc1ccc(C(C)(C)C(=O)NCc2ccc(C(=O)[O-])cc2F)cc1 ZINC001597508795 988088033 /nfs/dbraw/zinc/08/80/33/988088033.db2.gz UVKDESDIPSMJAR-UHFFFAOYSA-N -1 0 343.398 3.680 20 0 EHADRM CC(C)(C)C[C@H]1CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)C1(C)C ZINC001589764204 988098472 /nfs/dbraw/zinc/09/84/72/988098472.db2.gz BBNNAOGAXKRWJT-OAHLLOKOSA-N -1 0 347.455 3.827 20 0 EHADRM CC(C)(C)CC[C@@H](NC1CCC(C(=O)[O-])CC1)C(=O)OC(C)(C)C ZINC001589766614 988114013 /nfs/dbraw/zinc/11/40/13/988114013.db2.gz LGSQNAJUWRSRLJ-YMAMQOFZSA-N -1 0 341.492 3.756 20 0 EHADRM CSCC[C@H](OC(=O)c1csc(C2CCCCC2)n1)C(=O)[O-] ZINC001599797593 988122790 /nfs/dbraw/zinc/12/27/90/988122790.db2.gz NPEFXJQUKXSZRN-LBPRGKRZSA-N -1 0 343.470 3.554 20 0 EHADRM CCc1ccc(C2=CCN(C(=O)Cc3ccc(C(=O)[O-])cc3)CC2)cc1 ZINC001597514777 988123789 /nfs/dbraw/zinc/12/37/89/988123789.db2.gz SOGWUOAVZASPLO-UHFFFAOYSA-N -1 0 349.430 3.806 20 0 EHADRM CC(C)(C)Cc1ccccc1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001589789129 988174038 /nfs/dbraw/zinc/17/40/38/988174038.db2.gz NZUYKEGWNJXNFL-UHFFFAOYSA-N -1 0 325.408 3.903 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001597530759 988188155 /nfs/dbraw/zinc/18/81/55/988188155.db2.gz NADGEGJGQCPNPD-OCCSQVGLSA-N -1 0 338.835 3.840 20 0 EHADRM CCc1ccc(F)cc1C(=O)Oc1ccc(/C=C\C(=O)[O-])cc1OC ZINC001597530800 988189234 /nfs/dbraw/zinc/18/92/34/988189234.db2.gz PGHSDDCSTILDPQ-UITAMQMPSA-N -1 0 344.338 3.714 20 0 EHADRM CSCc1ccc(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1 ZINC001599802157 988194387 /nfs/dbraw/zinc/19/43/87/988194387.db2.gz DIPMJIYEHCOZSI-UHFFFAOYSA-N -1 0 333.384 3.568 20 0 EHADRM CCc1ccc(NC(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1C ZINC001597546777 988253408 /nfs/dbraw/zinc/25/34/08/988253408.db2.gz KXCYSWIGZPQQIT-GOSISDBHSA-N -1 0 340.423 3.856 20 0 EHADRM CSc1c(F)cccc1NC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001599806198 988260692 /nfs/dbraw/zinc/26/06/92/988260692.db2.gz PLXYYLOIPMDNEZ-SGTLLEGYSA-N -1 0 345.395 3.745 20 0 EHADRM CCc1ccc(NC(=O)c2ccccc2OCC2CC2)c(C(=O)[O-])c1 ZINC001597550721 988269594 /nfs/dbraw/zinc/26/95/94/988269594.db2.gz KYKJZIWAMFPBNH-UHFFFAOYSA-N -1 0 339.391 3.988 20 0 EHADRM CSc1cc(C)c(C(=O)Nc2cc(F)cc(C(=O)[O-])c2F)o1 ZINC001599809038 988302016 /nfs/dbraw/zinc/30/20/16/988302016.db2.gz XOKXZVFXAFODCO-UHFFFAOYSA-N -1 0 327.308 3.539 20 0 EHADRM CSc1cc(NC[C@@H](C(=O)[O-])c2ccc(C)cc2)nc(SC)n1 ZINC001599809310 988306028 /nfs/dbraw/zinc/30/60/28/988306028.db2.gz AXSJTWYXMGVNNP-GFCCVEGCSA-N -1 0 349.481 3.509 20 0 EHADRM CCc1ccc2c(c1)[C@H](OC(=O)c1ccc(/C=C\C(=O)[O-])o1)CCO2 ZINC001597567979 988320373 /nfs/dbraw/zinc/32/03/73/988320373.db2.gz AKMGUKQHLFJSSF-KQQSKNTNSA-N -1 0 342.347 3.620 20 0 EHADRM CSc1ccc(C)c(C(=O)N[C@@]2(C(=O)[O-])CCCC(C)(C)C2)c1 ZINC001599811578 988346129 /nfs/dbraw/zinc/34/61/29/988346129.db2.gz FHTYOBMXSDPZQH-SFHVURJKSA-N -1 0 335.469 3.870 20 0 EHADRM CSc1ccc(CCC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])cc1 ZINC001599811830 988350246 /nfs/dbraw/zinc/35/02/46/988350246.db2.gz CDXKCGFHYBDZNI-QGZVFWFLSA-N -1 0 349.496 3.881 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)Cc1cc(F)c(F)cc1F ZINC001597571290 988350720 /nfs/dbraw/zinc/35/07/20/988350720.db2.gz BEAPZHVGVZMSQB-UHFFFAOYSA-N -1 0 337.297 3.546 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)CCOc1cc(C)cc(C)c1 ZINC001597572348 988354317 /nfs/dbraw/zinc/35/43/17/988354317.db2.gz JXFZXBJJMWUXKQ-UHFFFAOYSA-N -1 0 341.407 3.972 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)/C=C\c1cnc2ccccc2n1 ZINC001597573736 988358440 /nfs/dbraw/zinc/35/84/40/988358440.db2.gz WCUDSXUFVYLXPU-KHPPLWFESA-N -1 0 347.374 3.542 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)[C@H](C)Oc1ccc(F)c(F)c1 ZINC001597576508 988365330 /nfs/dbraw/zinc/36/53/30/988365330.db2.gz MRIUAIHGQLAJNF-JTQLQIEISA-N -1 0 349.333 3.631 20 0 EHADRM CSc1ccc(CCCC(=O)N[C@@H](CC(=O)[O-])C2CCCC2)cc1 ZINC001599812995 988371315 /nfs/dbraw/zinc/37/13/15/988371315.db2.gz RRSDWXNTRPMLRS-KRWDZBQOSA-N -1 0 349.496 3.881 20 0 EHADRM CCc1cccc(CNC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)c1 ZINC001597586873 988408093 /nfs/dbraw/zinc/40/80/93/988408093.db2.gz NBQRKKKUXMXHDB-UHFFFAOYSA-N -1 0 334.322 3.547 20 0 EHADRM CSc1ccc(O[C@H](C)c2nc(-c3cc(C(=O)[O-])co3)no2)cc1 ZINC001599819943 988494873 /nfs/dbraw/zinc/49/48/73/988494873.db2.gz GZMPVXOVHINKDG-SECBINFHSA-N -1 0 346.364 3.890 20 0 EHADRM CCc1ccccc1NC(=O)[C@@H](C)Oc1ccc(C(=O)[O-])c(C)c1 ZINC001597611571 988510933 /nfs/dbraw/zinc/51/09/33/988510933.db2.gz PNNMVOFJYRLSTM-CYBMUJFWSA-N -1 0 327.380 3.662 20 0 EHADRM CSc1ccccc1CSCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001599823718 988560220 /nfs/dbraw/zinc/56/02/20/988560220.db2.gz ALTCQNJRYIPWNR-UHFFFAOYSA-N -1 0 347.461 3.979 20 0 EHADRM CSc1ccsc1C(=O)OCc1c(F)cc(C(=O)[O-])cc1F ZINC001599826433 988605469 /nfs/dbraw/zinc/60/54/69/988605469.db2.gz MCDCUVHAQIOXSM-UHFFFAOYSA-N -1 0 344.360 3.803 20 0 EHADRM CCc1cnccc1C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)[O-] ZINC001597634457 988611241 /nfs/dbraw/zinc/61/12/41/988611241.db2.gz MMZYTQGLWDGZNZ-UHFFFAOYSA-N -1 0 339.178 3.901 20 0 EHADRM CSc1nc2ccccc2c(C)c1NC(=O)C[C@H](C)CC(=O)[O-] ZINC001599828559 988635204 /nfs/dbraw/zinc/63/52/04/988635204.db2.gz VDMZCFDKBVZTMH-JTQLQIEISA-N -1 0 332.425 3.705 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)CCCCc1ccc(Cl)c(Cl)c1 ZINC001599832829 988699595 /nfs/dbraw/zinc/69/95/95/988699595.db2.gz XGOOHSZSJNKOKL-JTQLQIEISA-N -1 0 332.227 3.686 20 0 EHADRM CCc1nc(C)c(CN[C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)o1 ZINC001597661334 988730364 /nfs/dbraw/zinc/73/03/64/988730364.db2.gz MXWHANCFEOOWQO-AWEZNQCLSA-N -1 0 343.210 3.768 20 0 EHADRM C[C@@H](NC(=O)/C=C/c1cc(C(=O)[O-])co1)c1ccc(F)cc1Cl ZINC001599838157 988778564 /nfs/dbraw/zinc/77/85/64/988778564.db2.gz XJXITQFYAABNCY-HYYFJVDXSA-N -1 0 337.734 3.661 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@@](C)(C(=O)[O-])C1)c1ccc2c(c1)CCCC2 ZINC001599838592 988785277 /nfs/dbraw/zinc/78/52/77/988785277.db2.gz MCVNNOKBLDRZMX-JLTOFOAXSA-N -1 0 344.455 3.523 20 0 EHADRM CCc1nc(NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)sc1C(=O)[O-] ZINC001597680735 988811300 /nfs/dbraw/zinc/81/13/00/988811300.db2.gz WHWQOKIJBDTMBZ-DIFFPNOSSA-N -1 0 330.409 3.536 20 0 EHADRM CCc1nc(NC(=O)c2cc(SC)ccc2C)sc1C(=O)[O-] ZINC001597682349 988821620 /nfs/dbraw/zinc/82/16/20/988821620.db2.gz WGQDQUXJSOSIFT-UHFFFAOYSA-N -1 0 336.438 3.686 20 0 EHADRM CCc1oc(CNc2cnc(C)c(Br)c2)cc1C(=O)[O-] ZINC001597805152 989410683 /nfs/dbraw/zinc/41/06/83/989410683.db2.gz UPSYCVZPXWCOIE-UHFFFAOYSA-N -1 0 339.189 3.618 20 0 EHADRM CCn1c(=O)c(Oc2ccc(C(=O)[O-])cc2Cl)nc2ccccc21 ZINC001597835420 989515088 /nfs/dbraw/zinc/51/50/88/989515088.db2.gz VXVJIGXEDTUGDX-UHFFFAOYSA-N -1 0 344.754 3.560 20 0 EHADRM CCn1c2ccccc2nc1SCC(=O)c1cccc(C(=O)[O-])c1 ZINC001597865410 989655959 /nfs/dbraw/zinc/65/59/59/989655959.db2.gz ZJRQOFSHKYAFAH-UHFFFAOYSA-N -1 0 340.404 3.729 20 0 EHADRM CCn1ccc(C(=O)Oc2cccc3c(CC(=O)[O-])cccc23)c1C ZINC001597905127 989792853 /nfs/dbraw/zinc/79/28/53/989792853.db2.gz UGKFEYCJSDAPEZ-UHFFFAOYSA-N -1 0 337.375 3.816 20 0 EHADRM CCn1ccnc1[C@@H]1CCCCN1Cc1cc(C(=O)[O-])sc1C ZINC001597916363 989833593 /nfs/dbraw/zinc/83/35/93/989833593.db2.gz KSAQSYHQVJAKQW-AWEZNQCLSA-N -1 0 333.457 3.698 20 0 EHADRM CC(C)(C)OC1CC(CC(=O)OC2CCC(CC(=O)[O-])CC2)C1 ZINC001590374327 989865785 /nfs/dbraw/zinc/86/57/85/989865785.db2.gz FJXLIXPSFKPMJK-UHFFFAOYSA-N -1 0 326.433 3.547 20 0 EHADRM CC(C)(C)Oc1cc(F)ccc1NC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001590407527 989934495 /nfs/dbraw/zinc/93/44/95/989934495.db2.gz AGJHSBIKTNUGOT-UHFFFAOYSA-N -1 0 345.370 3.882 20 0 EHADRM CC(C)(C)Oc1ccc(-c2nc(-c3cc(C(=O)[O-])co3)no2)cc1 ZINC001590410019 989950376 /nfs/dbraw/zinc/95/03/76/989950376.db2.gz RCWGXWOAVQEXRB-UHFFFAOYSA-N -1 0 328.324 3.872 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])c1 ZINC001590416730 989956827 /nfs/dbraw/zinc/95/68/27/989956827.db2.gz OVZMANHBFCJNEG-INIZCTEOSA-N -1 0 347.455 3.875 20 0 EHADRM CC(C)(C)Oc1cccc(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)c1 ZINC001590419543 989959804 /nfs/dbraw/zinc/95/98/04/989959804.db2.gz BQCPAEHIQCDMQE-UHFFFAOYSA-N -1 0 331.412 3.838 20 0 EHADRM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC001590434752 989992092 /nfs/dbraw/zinc/99/20/92/989992092.db2.gz IEPGWWGSMDMELW-BRWVUGGUSA-N -1 0 325.408 3.764 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(Cl)o1)c1ccc(Cl)c(F)c1 ZINC000237983348 1015529715 /nfs/dbraw/zinc/52/97/15/1015529715.db2.gz GVYXYWUJNPAKEI-JTQLQIEISA-N -1 0 346.141 3.671 20 0 EHADRM CC(C)(C)c1ccc(CCNC(=O)c2cccc(CC(=O)[O-])c2)cc1 ZINC001590485015 990082053 /nfs/dbraw/zinc/08/20/53/990082053.db2.gz MDDWSUMBDKWMNJ-UHFFFAOYSA-N -1 0 339.435 3.584 20 0 EHADRM CN(C(=O)C12CCC(C(=O)[O-])(CC1)C2)[C@@H]1CCCc2ccccc21 ZINC001597997606 990113331 /nfs/dbraw/zinc/11/33/31/990113331.db2.gz XNFNMIIFJXTOCK-PBPGXSGUSA-N -1 0 327.424 3.558 20 0 EHADRM CC(C)(C)c1ccc2[nH]c(C(=O)NC3(CC(=O)[O-])CCCC3)cc2c1 ZINC001590500732 990115646 /nfs/dbraw/zinc/11/56/46/990115646.db2.gz NFKHVDUJVFMUNJ-UHFFFAOYSA-N -1 0 342.439 3.983 20 0 EHADRM CC(C)(C)c1cnc(CNc2ncc(C(=O)[O-])cc2C(F)(F)F)o1 ZINC001590515715 990130062 /nfs/dbraw/zinc/13/00/62/990130062.db2.gz CJGRBWAPWLKUFW-UHFFFAOYSA-N -1 0 343.305 3.696 20 0 EHADRM CC(C)(C)c1cnc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)o1 ZINC001590515992 990134034 /nfs/dbraw/zinc/13/40/34/990134034.db2.gz UTPBNJNNCBBNJW-AWEZNQCLSA-N -1 0 340.782 3.680 20 0 EHADRM CC(C)(C)c1nc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2F)cs1 ZINC001590537414 990154760 /nfs/dbraw/zinc/15/47/60/990154760.db2.gz HZXYPSKRCJNFAZ-GFCCVEGCSA-N -1 0 337.372 3.562 20 0 EHADRM CN(C(=O)CC(F)(F)F)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598007171 990164904 /nfs/dbraw/zinc/16/49/04/990164904.db2.gz FSLAPWAVLLYVNK-SNVBAGLBSA-N -1 0 344.116 3.530 20 0 EHADRM CC(C)(C)c1nc(NC(=O)c2ccc(F)c(F)c2)sc1C(=O)[O-] ZINC001590545461 990181804 /nfs/dbraw/zinc/18/18/04/990181804.db2.gz WOKIAKZTOSHDRS-UHFFFAOYSA-N -1 0 340.351 3.669 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)c3ccoc3CC(=O)[O-])ccc2o1 ZINC001590545547 990182758 /nfs/dbraw/zinc/18/27/58/990182758.db2.gz JGHNJZATXZWZSN-UHFFFAOYSA-N -1 0 342.351 3.598 20 0 EHADRM CC(C)(C)c1ncc(/C=C\C(=O)Oc2cccc(C(=O)[O-])c2)s1 ZINC001590556655 990198732 /nfs/dbraw/zinc/19/87/32/990198732.db2.gz ZZJJAONPVRLBTE-FPLPWBNLSA-N -1 0 331.393 3.758 20 0 EHADRM CN(C(=O)NCC1(CC(=O)[O-])CCCC1)[C@@H]1CCCc2ccccc21 ZINC001598046374 990283261 /nfs/dbraw/zinc/28/32/61/990283261.db2.gz CYXNWXYGYOQDCZ-QGZVFWFLSA-N -1 0 344.455 3.741 20 0 EHADRM CN(C(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1)C(C)(C)CC(=O)[O-] ZINC001598072713 990371954 /nfs/dbraw/zinc/37/19/54/990371954.db2.gz FILDBAXONNHDSO-UHFFFAOYSA-N -1 0 334.803 3.660 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])s1)c1ccc(-c2nccs2)cc1 ZINC001598083447 990411790 /nfs/dbraw/zinc/41/17/90/990411790.db2.gz YHUSAZINJQQCFK-UHFFFAOYSA-N -1 0 344.417 3.846 20 0 EHADRM CN(C(=O)c1cccc(C(=O)[O-])c1)c1nc2c(cccc2Cl)s1 ZINC001598089716 990432133 /nfs/dbraw/zinc/43/21/33/990432133.db2.gz YFWLWLLWSLPTLF-UHFFFAOYSA-N -1 0 346.795 3.925 20 0 EHADRM CN(C(=O)c1cccs1)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598093351 990439291 /nfs/dbraw/zinc/43/92/91/990439291.db2.gz AKXHIIGLOBRPCX-LBPRGKRZSA-N -1 0 344.219 3.953 20 0 EHADRM CC(C)(CNC(=O)N1CCC[C@H](CCC(=O)[O-])C1)C1CCCCC1 ZINC001590716874 990479932 /nfs/dbraw/zinc/47/99/32/990479932.db2.gz GABMGQAJYVIVBF-OAHLLOKOSA-N -1 0 338.492 3.879 20 0 EHADRM CC(C)(CNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1ccccc1 ZINC001590727037 990524747 /nfs/dbraw/zinc/52/47/47/990524747.db2.gz RRFKMMBMBHPJSK-UHFFFAOYSA-N -1 0 348.349 3.762 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(CCC(=O)[O-])cc1)CC(F)(F)F ZINC001590734344 990528053 /nfs/dbraw/zinc/52/80/53/990528053.db2.gz NHXKXMWCQCCMLE-UHFFFAOYSA-N -1 0 346.349 3.804 20 0 EHADRM CC(C)(CNC(=O)Nc1ccccc1SC(F)F)CC(=O)[O-] ZINC001590738178 990531285 /nfs/dbraw/zinc/53/12/85/990531285.db2.gz FIGYSWSFIGCOIH-UHFFFAOYSA-N -1 0 332.372 3.624 20 0 EHADRM CC(C)(CNC(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)CC(=O)[O-] ZINC001590749382 990548677 /nfs/dbraw/zinc/54/86/77/990548677.db2.gz QTAYVWRXBLPCKJ-UHFFFAOYSA-N -1 0 343.210 3.705 20 0 EHADRM CC(C)(COCc1ccccc1)C(=O)Oc1cccc(C(=O)[O-])c1 ZINC001590787304 990604543 /nfs/dbraw/zinc/60/45/43/990604543.db2.gz KFZBUUSYTXGCGZ-UHFFFAOYSA-N -1 0 328.364 3.533 20 0 EHADRM CC(C)(Cc1ccc(C(F)(F)F)cc1)Nc1nccc(C(=O)[O-])n1 ZINC001590821820 990659626 /nfs/dbraw/zinc/65/96/26/990659626.db2.gz CVQNITKNMHVDJY-UHFFFAOYSA-N -1 0 339.317 3.627 20 0 EHADRM CC(C)(Cc1ccccc1Cl)NC(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001590827079 990671855 /nfs/dbraw/zinc/67/18/55/990671855.db2.gz MZSIARJCEHNREV-UHFFFAOYSA-N -1 0 347.802 3.576 20 0 EHADRM CC(C)(c1ccc(F)cc1)C1(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC1 ZINC001590908587 990877059 /nfs/dbraw/zinc/87/70/59/990877059.db2.gz JDIOMTTTZBSYIY-JKSUJKDBSA-N -1 0 347.430 3.643 20 0 EHADRM CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001590921595 990911578 /nfs/dbraw/zinc/91/15/78/990911578.db2.gz QOBGHBWZRXWNDT-UHFFFAOYSA-N -1 0 346.814 3.975 20 0 EHADRM CC(C)=CCCNC(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC001590921917 990915519 /nfs/dbraw/zinc/91/55/19/990915519.db2.gz MPQWOWMAWNQBFL-UHFFFAOYSA-N -1 0 344.455 3.705 20 0 EHADRM CCCC[C@H](NC(=O)Nc1ccc(SC)c(Cl)c1)C(=O)[O-] ZINC000579871182 1015601603 /nfs/dbraw/zinc/60/16/03/1015601603.db2.gz MFEASJINYYNIDS-NSHDSACASA-N -1 0 330.837 3.827 20 0 EHADRM COc1cccc([C@H](NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)C(=O)[O-])c1 ZINC001599687344 991006831 /nfs/dbraw/zinc/00/68/31/991006831.db2.gz VVQNHPWQLIGINP-MPGHIAIKSA-N -1 0 345.439 3.544 20 0 EHADRM COc1ccccc1-c1nnc(SC[C@H]2CCCC[C@H]2C(=O)[O-])o1 ZINC001599694962 991134100 /nfs/dbraw/zinc/13/41/00/991134100.db2.gz SJIGBTFAQVQOMU-VXGBXAGGSA-N -1 0 348.424 3.728 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001599696614 991158320 /nfs/dbraw/zinc/15/83/20/991158320.db2.gz FXSPMWVVXWZMTD-UHFFFAOYSA-N -1 0 348.782 3.930 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)c1ccsc1C(F)F ZINC001598301813 991257198 /nfs/dbraw/zinc/25/71/98/991257198.db2.gz ZMNPBCUFZRKFIO-UHFFFAOYSA-N -1 0 340.351 3.702 20 0 EHADRM CN(C)c1cc(Nc2nc(Cl)c(C(=O)[O-])s2)ccc1Cl ZINC001598308039 991279873 /nfs/dbraw/zinc/27/98/73/991279873.db2.gz VABJIYVQXGXAIS-UHFFFAOYSA-N -1 0 332.212 3.958 20 0 EHADRM CC(C)[C@@H](NC(=S)NCCCC(=O)[O-])c1ccc(Cl)cc1F ZINC001591023870 991307836 /nfs/dbraw/zinc/30/78/36/991307836.db2.gz AKMJFSFTOCXYRL-CQSZACIVSA-N -1 0 346.855 3.505 20 0 EHADRM CN(C)c1ccc(OC(=O)c2ccc(C(C)(F)F)cc2)cc1C(=O)[O-] ZINC001598328044 991347124 /nfs/dbraw/zinc/34/71/24/991347124.db2.gz CEIGNKBETSLEMR-UHFFFAOYSA-N -1 0 349.333 3.782 20 0 EHADRM CN(C)c1ccc(OC(=O)C/C=C\c2ccc(F)cc2)cc1C(=O)[O-] ZINC001598329334 991362249 /nfs/dbraw/zinc/36/22/49/991362249.db2.gz QOFWARUEUJCRQE-ARJAWSKDSA-N -1 0 343.354 3.599 20 0 EHADRM CN(C)c1ccc(OC(=O)CCCCc2ccccc2)cc1C(=O)[O-] ZINC001598329671 991364426 /nfs/dbraw/zinc/36/44/26/991364426.db2.gz WJHWSAZQKIZGAQ-UHFFFAOYSA-N -1 0 341.407 3.769 20 0 EHADRM CN(C)c1cccc2sc(C(=O)Nc3cccc(C(=O)[O-])c3)cc21 ZINC001598341982 991405779 /nfs/dbraw/zinc/40/57/79/991405779.db2.gz CGCVLBVMKCPRMJ-UHFFFAOYSA-N -1 0 340.404 3.918 20 0 EHADRM COc1ccccc1NC(=O)[C@@H](C)Sc1ccc(C(=O)[O-])cc1 ZINC001599714646 991431518 /nfs/dbraw/zinc/43/15/18/991431518.db2.gz FECIDPWNFDEQBL-LLVKDONJSA-N -1 0 331.393 3.513 20 0 EHADRM CC(C)[C@@H]1C[C@@H]1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001591078914 991568291 /nfs/dbraw/zinc/56/82/91/991568291.db2.gz AFAQMRJUIBTSMP-GJZGRUSLSA-N -1 0 327.380 3.534 20 0 EHADRM CC(C)[C@H]1CCC[C@@H](NC(=O)NCCCCCCC(=O)[O-])CC1 ZINC001591082552 991599611 /nfs/dbraw/zinc/59/96/11/991599611.db2.gz VJOMJJULAUNCTB-JKSUJKDBSA-N -1 0 326.481 3.926 20 0 EHADRM COc1cncc(/C=C\CCNc2cccc([C@H](C)C(=O)[O-])c2)c1 ZINC001599726752 991640210 /nfs/dbraw/zinc/64/02/10/991640210.db2.gz SRECUVYDURCNLQ-XSHSDMCLSA-N -1 0 326.396 3.794 20 0 EHADRM CC(C)[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2N(C)C)[C@H]1C(C)C ZINC001591093667 991662105 /nfs/dbraw/zinc/66/21/05/991662105.db2.gz YEUGHSJGSOWUSC-PBHICJAKSA-N -1 0 347.459 3.595 20 0 EHADRM CC(C)[C@H]1OCCC[C@@H]1CNc1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001591105586 991734388 /nfs/dbraw/zinc/73/43/88/991734388.db2.gz VFJDIWGAUBAPLK-QMTHXVAHSA-N -1 0 346.349 3.662 20 0 EHADRM CC(C)CC(=O)Nc1ccc(N[C@H](C)c2cncc(C(=O)[O-])c2)cc1 ZINC001591111174 991766188 /nfs/dbraw/zinc/76/61/88/991766188.db2.gz NJKACVCDOJKTCQ-CYBMUJFWSA-N -1 0 341.411 3.938 20 0 EHADRM CC(C)C[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C)c1ccc(Cl)cc1 ZINC001591117811 991777951 /nfs/dbraw/zinc/77/79/51/991777951.db2.gz GWOCTTKZTVWQNZ-KCXAZCMYSA-N -1 0 337.847 3.791 20 0 EHADRM CC(C)C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC001591118549 991784197 /nfs/dbraw/zinc/78/41/97/991784197.db2.gz UZVJMXVIALHUSQ-KRWDZBQOSA-N -1 0 343.398 3.970 20 0 EHADRM CC(C)C[C@H](C)OC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001591137452 991841822 /nfs/dbraw/zinc/84/18/22/991841822.db2.gz BCYFFWKMIOPYPR-ZANVPECISA-N -1 0 331.771 3.766 20 0 EHADRM CC(C)C[C@@H](C)OC(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC001591137654 991845736 /nfs/dbraw/zinc/84/57/36/991845736.db2.gz JAOBAZJTHCUCAP-CQSZACIVSA-N -1 0 348.443 3.832 20 0 EHADRM COc1nsc(CNc2cc(C(=O)[O-])cc3cccnc32)c1Cl ZINC001599741099 991858161 /nfs/dbraw/zinc/85/81/61/991858161.db2.gz DAYXIWQLLHTNAS-UHFFFAOYSA-N -1 0 349.799 3.664 20 0 EHADRM CC(C)CC(CC(C)C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC001591142533 991865446 /nfs/dbraw/zinc/86/54/46/991865446.db2.gz FSFJOGARFUBZIN-GOSISDBHSA-N -1 0 331.456 3.733 20 0 EHADRM COc1nsc(CNc2cc3ccccc3c(OC)c2)c1C(=O)[O-] ZINC001599741939 991871666 /nfs/dbraw/zinc/87/16/66/991871666.db2.gz QDPAENIHDRSTCK-UHFFFAOYSA-N -1 0 344.392 3.624 20 0 EHADRM CC(C)CC(CC(C)C)NC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001591143923 991874208 /nfs/dbraw/zinc/87/42/08/991874208.db2.gz XCHYYDITPDTYSE-GOSISDBHSA-N -1 0 346.471 3.841 20 0 EHADRM CC(C)C[C@H](CNC(=O)C1(Cc2cccc(Cl)c2)CC1)C(=O)[O-] ZINC001591146658 991883188 /nfs/dbraw/zinc/88/31/88/991883188.db2.gz IFMUIVCGAQMSJS-CQSZACIVSA-N -1 0 337.847 3.526 20 0 EHADRM CC(=O)Nc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c([O-])c1 ZINC001625821494 1015681060 /nfs/dbraw/zinc/68/10/60/1015681060.db2.gz PRGUGNDUOHHTMI-UHFFFAOYSA-N -1 0 339.178 3.910 20 0 EHADRM CC(C)CC[C@@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)C(C)(C)C ZINC001591221235 992084832 /nfs/dbraw/zinc/08/48/32/992084832.db2.gz IBXFRNXYZPBNAC-ARFHVFGLSA-N -1 0 338.492 3.590 20 0 EHADRM CC(C)CCCNC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001591238484 992122995 /nfs/dbraw/zinc/12/29/95/992122995.db2.gz BEKYEZRNAOXKRR-INIZCTEOSA-N -1 0 332.444 3.540 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)c2csc(C(=O)[O-])n2)cc1 ZINC001591261083 992171764 /nfs/dbraw/zinc/17/17/64/992171764.db2.gz UHSBYMVWHDVLHX-UHFFFAOYSA-N -1 0 334.397 3.519 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC001591261089 992171778 /nfs/dbraw/zinc/17/17/78/992171778.db2.gz UVAGSNJJQBOUMD-UHFFFAOYSA-N -1 0 341.407 3.991 20 0 EHADRM CC(C)CCOc1ccccc1NC(=O)c1ccoc1CC(=O)[O-] ZINC001591266185 992178297 /nfs/dbraw/zinc/17/82/97/992178297.db2.gz YRNMBQBMBXLWQP-UHFFFAOYSA-N -1 0 331.368 3.584 20 0 EHADRM CC(C)CN(C(=O)[C@@H](C)CC(=O)[O-])[C@H](C)c1ccccc1Cl ZINC001591281586 992217049 /nfs/dbraw/zinc/21/70/49/992217049.db2.gz UIICPMYDHJFUKH-QWHCGFSZSA-N -1 0 325.836 3.996 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)CC1(CSc2ccccc2)CC1 ZINC001591290821 992238749 /nfs/dbraw/zinc/23/87/49/992238749.db2.gz GWGZCYZFIQIOCY-UHFFFAOYSA-N -1 0 335.469 3.518 20 0 EHADRM CC(C)CN(CCOc1ccccc1C(=O)[O-])c1cccc(O)c1 ZINC001591343231 992324253 /nfs/dbraw/zinc/32/42/53/992324253.db2.gz TUFDSOKIWRLMFC-UHFFFAOYSA-N -1 0 329.396 3.632 20 0 EHADRM CC(C)CN(Cc1ccc(F)c(Cl)c1)c1ccnc(C(=O)[O-])n1 ZINC001591343859 992327122 /nfs/dbraw/zinc/32/71/22/992327122.db2.gz HMFRFXQMRWZILP-UHFFFAOYSA-N -1 0 337.782 3.630 20 0 EHADRM CS[C@H](C(=O)N1CCCc2ccc(C(=O)[O-])cc21)c1ccccc1 ZINC001599780785 992361461 /nfs/dbraw/zinc/36/14/61/992361461.db2.gz LYNNFUGPRGVKNH-KRWDZBQOSA-N -1 0 341.432 3.768 20 0 EHADRM CS[C@@H](C)CC(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1 ZINC001599782554 992383800 /nfs/dbraw/zinc/38/38/00/992383800.db2.gz FICTUQPTWRZGRK-QMMMGPOBSA-N -1 0 328.459 3.579 20 0 EHADRM CN(CCc1cccc2ccccc21)C(=O)c1cccc(CC(=O)[O-])c1 ZINC001598501563 992441921 /nfs/dbraw/zinc/44/19/21/992441921.db2.gz KGFHPYKAFZAICR-UHFFFAOYSA-N -1 0 347.414 3.782 20 0 EHADRM CN(Cc1[nH]cc(C(=O)[O-])c1C1CC1)Cc1cc(F)c(F)c(F)c1 ZINC001598507293 992521887 /nfs/dbraw/zinc/52/18/87/992521887.db2.gz MGNLDCPGLYGPFU-UHFFFAOYSA-N -1 0 338.329 3.640 20 0 EHADRM CN(Cc1cc(F)ccc1Br)c1ccccc1C(=O)[O-] ZINC001598508592 992537162 /nfs/dbraw/zinc/53/71/62/992537162.db2.gz QDLCNHZKHABIRN-UHFFFAOYSA-N -1 0 338.176 3.923 20 0 EHADRM CC(C)Cc1ccc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])cc1 ZINC001591477037 992596616 /nfs/dbraw/zinc/59/66/16/992596616.db2.gz GQZICDJQYOZZFZ-LJQANCHMSA-N -1 0 337.419 3.709 20 0 EHADRM CC(C)Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)s1 ZINC001591477692 992599276 /nfs/dbraw/zinc/59/92/76/992599276.db2.gz WIUNQHNZUFIOTH-LBPRGKRZSA-N -1 0 337.466 3.954 20 0 EHADRM CC(C)Cc1ccc(CCCC(=O)N[C@@](C)(CC(=O)[O-])C2CC2)cc1 ZINC001591483443 992602985 /nfs/dbraw/zinc/60/29/85/992602985.db2.gz GLYHWDYSQDBAIW-NRFANRHFSA-N -1 0 345.483 3.967 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)N2CCC[C@](C)(C(=O)[O-])C2)cc1 ZINC001591484150 992607888 /nfs/dbraw/zinc/60/78/88/992607888.db2.gz SNVRTIRPTQGOPD-FQEVSTJZSA-N -1 0 331.456 3.531 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)NC[C@H](CC2CC2)C(=O)[O-])c1 ZINC001591488224 992614892 /nfs/dbraw/zinc/61/48/92/992614892.db2.gz BSSZTLOKLYPBHX-KDOFPFPSSA-N -1 0 331.456 3.606 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)N(C2CC2)C2(C(=O)[O-])CCC2)c1 ZINC001591488235 992614972 /nfs/dbraw/zinc/61/49/72/992614972.db2.gz CIMGYIWWJMAISA-OAHLLOKOSA-N -1 0 343.467 3.987 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)N[C@H]3CCC[C@@H]3C(=O)[O-])ccc21 ZINC001591521695 992692365 /nfs/dbraw/zinc/69/23/65/992692365.db2.gz PUDRZVSOSGBHOS-HOTGVXAUSA-N -1 0 343.427 3.672 20 0 EHADRM CC(C)Cn1ncnc1CSc1cc(Cl)ccc1C(=O)[O-] ZINC001591538794 992718242 /nfs/dbraw/zinc/71/82/42/992718242.db2.gz PCIBVPDJIQTPOU-UHFFFAOYSA-N -1 0 325.821 3.578 20 0 EHADRM CN(Cc1cccc2ccccc21)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001598527077 992733262 /nfs/dbraw/zinc/73/32/62/992733262.db2.gz QPMHZXCQCYWSOA-BENRWUELSA-N -1 0 335.359 3.803 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)CC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC001591575487 992786569 /nfs/dbraw/zinc/78/65/69/992786569.db2.gz FWFSKXOUPIQHCY-QGZVFWFLSA-N -1 0 349.471 3.509 20 0 EHADRM CN(Cc1nc(C(=O)[O-])cs1)Cc1c(Cl)cccc1Cl ZINC001598536271 992842951 /nfs/dbraw/zinc/84/29/51/992842951.db2.gz BFIFNWPWGKPAKV-UHFFFAOYSA-N -1 0 331.224 3.780 20 0 EHADRM CN(Cc1nc(C(=O)[O-])cs1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001598536360 992843851 /nfs/dbraw/zinc/84/38/51/992843851.db2.gz FZGIYPKKVRHSER-CABCVRRESA-N -1 0 346.452 3.519 20 0 EHADRM CCN(CC)C(=O)CCCC(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000154683800 1015759787 /nfs/dbraw/zinc/75/97/87/1015759787.db2.gz XZIAZZINFKGYEQ-UHFFFAOYSA-N -1 0 347.242 3.676 20 0 EHADRM COc1ccc(NC(=O)CCCc2cc(F)ccc2F)c(C(=O)[O-])c1 ZINC001599588960 993652451 /nfs/dbraw/zinc/65/24/51/993652451.db2.gz DDOHOGFFKAVFRE-UHFFFAOYSA-N -1 0 349.333 3.633 20 0 EHADRM COc1ccc(NC(=O)CC(C)(C)CC(F)(F)F)c(C(=O)[O-])c1 ZINC001599590646 993677561 /nfs/dbraw/zinc/67/75/61/993677561.db2.gz REVNHQJXOYINEZ-UHFFFAOYSA-N -1 0 333.306 3.701 20 0 EHADRM COc1ccc(NC(=O)N2CCC[C@@H]2c2cccs2)c(C(=O)[O-])c1 ZINC001599594537 993732327 /nfs/dbraw/zinc/73/23/27/993732327.db2.gz FAADRRKRSKMRLJ-CQSZACIVSA-N -1 0 346.408 3.824 20 0 EHADRM COc1ccc(OC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1C(F)(F)F ZINC001599599347 993792113 /nfs/dbraw/zinc/79/21/13/993792113.db2.gz BOULAEWLZZNBHR-NXEZZACHSA-N -1 0 346.301 3.510 20 0 EHADRM COc1ccc(OC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1C(F)(F)F ZINC001599599349 993792416 /nfs/dbraw/zinc/79/24/16/993792416.db2.gz BOULAEWLZZNBHR-VHSXEESVSA-N -1 0 346.301 3.510 20 0 EHADRM COc1ccc(OC(C)(C)C(=O)Nc2cc(C)c(C(=O)[O-])s2)cc1 ZINC001599600024 993802452 /nfs/dbraw/zinc/80/24/52/993802452.db2.gz CDXMERRLRHRGMO-UHFFFAOYSA-N -1 0 349.408 3.559 20 0 EHADRM C[C@H](NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(-c2ccc(F)cc2)cc1 ZINC001593139901 993917769 /nfs/dbraw/zinc/91/77/69/993917769.db2.gz CEEONELXHNWGEY-AFAVFJNCSA-N -1 0 341.382 3.781 20 0 EHADRM C[C@@](NC(=O)c1cc2cccc(Cl)c2o1)(C(=O)[O-])c1ccccc1 ZINC001593154319 993962515 /nfs/dbraw/zinc/96/25/15/993962515.db2.gz CCIVEHAQAWFJOQ-SFHVURJKSA-N -1 0 343.766 3.816 20 0 EHADRM COc1ccc(SCCNc2ccc(C(=O)[O-])cc2OC)cc1 ZINC001599619827 994065336 /nfs/dbraw/zinc/06/53/36/994065336.db2.gz CRTGKHCOCNIGRI-UHFFFAOYSA-N -1 0 333.409 3.606 20 0 EHADRM C[C@H](N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1nc(C2CCCCC2)no1 ZINC001593194172 994131288 /nfs/dbraw/zinc/13/12/88/994131288.db2.gz AVGMOSVEUMSLSX-XHDPSFHLSA-N -1 0 347.390 3.733 20 0 EHADRM COc1ccc2c(c1)[C@@H](C(=O)Nc1ccsc1C(=O)[O-])CCC2 ZINC001599624778 994132792 /nfs/dbraw/zinc/13/27/92/994132792.db2.gz JFEPOMCAQYDUQI-LBPRGKRZSA-N -1 0 331.393 3.514 20 0 EHADRM O=C(c1cncc(O)c1)N1CCC(c2cccc3ccccc32)CC1 ZINC000339891823 1015837949 /nfs/dbraw/zinc/83/79/49/1015837949.db2.gz JTVREKQHBFNHTQ-UHFFFAOYSA-N -1 0 332.403 3.960 20 0 EHADRM C[C@H](N[C@@H](C)c1cc(Cl)cc2c1OCC2)c1ccc(C(=O)[O-])o1 ZINC001593198488 994173279 /nfs/dbraw/zinc/17/32/79/994173279.db2.gz RMFILNXEPTVKTR-UWVGGRQHSA-N -1 0 335.787 3.978 20 0 EHADRM COc1ccc2c(c1)CCCCN2C(=O)Nc1ccc(C(=O)[O-])s1 ZINC001599628911 994188719 /nfs/dbraw/zinc/18/87/19/994188719.db2.gz ZYFGUNTVLLRGRD-UHFFFAOYSA-N -1 0 346.408 3.830 20 0 EHADRM COc1ccc2c(c1)N(Cc1cccc(C(=O)[O-])c1Cl)CCC2 ZINC001599629545 994196902 /nfs/dbraw/zinc/19/69/02/994196902.db2.gz DMHOMQNUOUQOFA-UHFFFAOYSA-N -1 0 331.799 4.000 20 0 EHADRM C[C@H](N[C@H](CCc1ccccc1)C(F)F)c1cncc(C(=O)[O-])c1 ZINC001593207072 994212923 /nfs/dbraw/zinc/21/29/23/994212923.db2.gz AKHGBXBLUKNCKS-BLLLJJGKSA-N -1 0 334.366 3.697 20 0 EHADRM O=C([O-])CCN(C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)C1CC1 ZINC000238046507 1015844744 /nfs/dbraw/zinc/84/47/44/1015844744.db2.gz PAWUWPOXLUGIMN-KBPBESRZSA-N -1 0 342.222 3.563 20 0 EHADRM COc1ccc2cc(C(=O)NCc3ccc(C(=O)[O-])s3)ccc2c1 ZINC001599636276 994292538 /nfs/dbraw/zinc/29/25/38/994292538.db2.gz LPDQZBRUNJZMJD-UHFFFAOYSA-N -1 0 341.388 3.538 20 0 EHADRM COc1cccc(C(=O)Nc2c3ccc(C)nc3sc2C(=O)[O-])c1 ZINC001599642805 994383299 /nfs/dbraw/zinc/38/32/99/994383299.db2.gz UGEBAXOMMWJWNQ-UHFFFAOYSA-N -1 0 342.376 3.564 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)c1ccccc1C(F)F ZINC001599644880 994412115 /nfs/dbraw/zinc/41/21/15/994412115.db2.gz ZPBQNEFHBLGOCP-UHFFFAOYSA-N -1 0 335.306 3.608 20 0 EHADRM C[C@@H](NC[C@@H](OC1CCCC1)C(F)(F)F)c1cc(C(=O)[O-])co1 ZINC001593246316 994449378 /nfs/dbraw/zinc/44/93/78/994449378.db2.gz JXQISJYEJOIXSK-NOZJJQNGSA-N -1 0 335.322 3.519 20 0 EHADRM COc1cccc([C@@H](C)C(=O)Oc2ccc(C(=O)[O-])cc2Cl)c1 ZINC001599654152 994551367 /nfs/dbraw/zinc/55/13/67/994551367.db2.gz HXLPWUUSARYLFI-SNVBAGLBSA-N -1 0 334.755 3.756 20 0 EHADRM COc1cccc(/C(C)=C/C(=O)NC2(CCC(=O)[O-])CCCCC2)c1 ZINC001599654480 994555943 /nfs/dbraw/zinc/55/59/43/994555943.db2.gz NWFQWKOXKFXIRW-FYWRMAATSA-N -1 0 345.439 3.782 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)O[C@H](C(=O)[O-])c2ccsc2)c1 ZINC001599655028 994565022 /nfs/dbraw/zinc/56/50/22/994565022.db2.gz HVHNPJKYGXENFM-ZBEGNZNMSA-N -1 0 334.393 3.619 20 0 EHADRM COc1cccc([C@@H](C)CCCC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])c1 ZINC001599655555 994573112 /nfs/dbraw/zinc/57/31/12/994573112.db2.gz UCWSMAHKTPXVGZ-QILLFSRXSA-N -1 0 347.455 3.729 20 0 EHADRM CNC(=O)c1cccc(CSCc2cc(C(=O)[O-])ccc2Cl)c1 ZINC001598660187 994583474 /nfs/dbraw/zinc/58/34/74/994583474.db2.gz HFTHGOQCDDMXPE-UHFFFAOYSA-N -1 0 349.839 3.831 20 0 EHADRM C[C@H](NCc1cc(C(=O)[O-])ccc1F)c1nc2ccccc2s1 ZINC001593289370 994662567 /nfs/dbraw/zinc/66/25/67/994662567.db2.gz RHROVUMFSWPMCV-JTQLQIEISA-N -1 0 330.384 3.984 20 0 EHADRM COc1cccc([C@H]2CCCN2C(=O)Nc2ccccc2C(=O)[O-])c1 ZINC001599664378 994705251 /nfs/dbraw/zinc/70/52/51/994705251.db2.gz FJNVKEYYDJYYIN-QGZVFWFLSA-N -1 0 340.379 3.762 20 0 EHADRM COc1cccc(C2(NCc3cccc(C(=O)[O-])c3Cl)CC2)c1 ZINC001599665814 994728308 /nfs/dbraw/zinc/72/83/08/994728308.db2.gz QQEGRDVDITZUQR-UHFFFAOYSA-N -1 0 331.799 3.826 20 0 EHADRM C[C@H](NCc1ccsc1C(=O)[O-])c1nc(C2CCCCC2)no1 ZINC001593311099 994776218 /nfs/dbraw/zinc/77/62/18/994776218.db2.gz NCQZBWUBKZRDNS-JTQLQIEISA-N -1 0 335.429 3.728 20 0 EHADRM C[C@@](NCc1csc(-c2ccoc2)n1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593311324 994781286 /nfs/dbraw/zinc/78/12/86/994781286.db2.gz FREUEBFIOBRGID-KRWDZBQOSA-N -1 0 346.383 3.632 20 0 EHADRM CNc1ccc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c(Cl)c1 ZINC001598679009 994896311 /nfs/dbraw/zinc/89/63/11/994896311.db2.gz ZMVOKZARKKMWJW-MEDUHNTESA-N -1 0 346.814 3.574 20 0 EHADRM COc1cccc(NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])c1C ZINC001599675882 994896793 /nfs/dbraw/zinc/89/67/93/994896793.db2.gz BVMDJQBWPYUGCF-LBPRGKRZSA-N -1 0 345.420 3.821 20 0 EHADRM COc1cccc(Cl)c1NC(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001599676544 994907343 /nfs/dbraw/zinc/90/73/43/994907343.db2.gz LAUUIDATGNOICO-UHFFFAOYSA-N -1 0 340.807 3.505 20 0 EHADRM COc1cccc(SC)c1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC001599683011 995013137 /nfs/dbraw/zinc/01/31/37/995013137.db2.gz GKCMAQAENAUAKB-UHFFFAOYSA-N -1 0 335.356 3.507 20 0 EHADRM C[C@@H](Nc1cccc(OC[C@H]2CCCO2)c1)c1cncc(C(=O)[O-])c1 ZINC001593365563 995040929 /nfs/dbraw/zinc/04/09/29/995040929.db2.gz BHRBXUADYIMXCR-FZKQIMNGSA-N -1 0 342.395 3.511 20 0 EHADRM C[C@@H](Nc1ccc2c(c1)[C@H](O)CCCC2)c1ncc(C(=O)[O-])s1 ZINC001593365932 995046792 /nfs/dbraw/zinc/04/67/92/995046792.db2.gz PBLIPBHKPOCODN-QMTHXVAHSA-N -1 0 332.425 3.774 20 0 EHADRM C[C@@H](Nc1cnc(C(=O)[O-])cn1)c1ccc(Oc2cccnc2)cc1 ZINC001593367318 995057723 /nfs/dbraw/zinc/05/77/23/995057723.db2.gz MQCYOVRCFJYBHV-GFCCVEGCSA-N -1 0 336.351 3.535 20 0 EHADRM C[C@@H](Nc1cnc(C(=O)[O-])cn1)C(c1ccccc1)c1ccccc1 ZINC001593368367 995062452 /nfs/dbraw/zinc/06/24/52/995062452.db2.gz XAODQCHWVVAGOO-CQSZACIVSA-N -1 0 333.391 3.807 20 0 EHADRM C[C@@H](Nc1ncc(C(=O)[O-])cc1Cl)c1cccc(-n2cccn2)c1 ZINC001593373693 995068581 /nfs/dbraw/zinc/06/85/81/995068581.db2.gz HIHFNRIIEDTUMD-LLVKDONJSA-N -1 0 342.786 3.792 20 0 EHADRM C[C@@H](Nc1ncc(C(=O)[O-])cn1)[C@@H](C)c1ccccc1C(F)(F)F ZINC001593374664 995075008 /nfs/dbraw/zinc/07/50/08/995075008.db2.gz UYQXZUHNEJIXFQ-NXEZZACHSA-N -1 0 339.317 3.798 20 0 EHADRM C[C@H](OC(=O)C(C)(C)CC(=O)[O-])c1cccc(Br)c1 ZINC001593484538 995442440 /nfs/dbraw/zinc/44/24/40/995442440.db2.gz JSXIYVMCKLMZKN-VIFPVBQESA-N -1 0 329.190 3.554 20 0 EHADRM C[C@H](OC(=O)[C@@H](C)c1cn(C)c2ccccc12)c1ccc(C(=O)[O-])o1 ZINC001593484977 995445451 /nfs/dbraw/zinc/44/54/51/995445451.db2.gz NMDRQXVSYGOKRK-RYUDHWBXSA-N -1 0 341.363 3.877 20 0 EHADRM C[C@H](OC(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1)C(=O)[O-] ZINC001593490550 995456592 /nfs/dbraw/zinc/45/65/92/995456592.db2.gz DTPNHDUOMNCPOH-NHYWBVRUSA-N -1 0 334.368 3.675 20 0 EHADRM C[C@H](OC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(C(F)(F)F)cn1 ZINC001593500696 995500825 /nfs/dbraw/zinc/50/08/25/995500825.db2.gz ILJTWEPIQVAZPF-AXFHLTTASA-N -1 0 345.317 3.596 20 0 EHADRM C[C@@H](OC(=O)[C@@H]1SCCc2ccccc21)c1cc(C(=O)[O-])co1 ZINC001593515800 995542201 /nfs/dbraw/zinc/54/22/01/995542201.db2.gz PDNMMYBMBNBFFP-MEBBXXQBSA-N -1 0 332.377 3.613 20 0 EHADRM C[C@@H](OC(=O)c1cc2c(ccnc2Cl)o1)c1cc(C(=O)[O-])co1 ZINC001593565089 995658500 /nfs/dbraw/zinc/65/85/00/995658500.db2.gz PCFZHZQCHGZLHE-SSDOTTSWSA-N -1 0 335.699 3.690 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC001593602610 995764496 /nfs/dbraw/zinc/76/44/96/995764496.db2.gz IKNKUCDUMFZQPZ-RHSMWYFYSA-N -1 0 339.476 3.654 20 0 EHADRM C[C@H](OC1CCCCC1)C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001593603115 995767744 /nfs/dbraw/zinc/76/77/44/995767744.db2.gz PWBSKEQUNFFBLO-NHYWBVRUSA-N -1 0 340.803 3.747 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC001593603284 995768607 /nfs/dbraw/zinc/76/86/07/995768607.db2.gz ROJDCZLTFCKIAK-AWEZNQCLSA-N -1 0 345.439 3.792 20 0 EHADRM C[C@H](OCc1ccccc1)C(=O)OCc1c(Cl)cccc1C(=O)[O-] ZINC001593611825 995810553 /nfs/dbraw/zinc/81/05/53/995810553.db2.gz VGSQKNDTULWJAN-LBPRGKRZSA-N -1 0 348.782 3.687 20 0 EHADRM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](CC(=O)[O-])C(C)(C)C ZINC001593612170 995813770 /nfs/dbraw/zinc/81/37/70/995813770.db2.gz LVIGGSHODJVRFJ-XJKSGUPXSA-N -1 0 349.471 3.757 20 0 EHADRM C[C@@H](Oc1ccc(CN2CC[C@@H]2c2ccc(F)cc2)cc1)C(=O)[O-] ZINC001593615415 995833075 /nfs/dbraw/zinc/83/30/75/995833075.db2.gz JNANUOAMGDHUSC-FZKQIMNGSA-N -1 0 329.371 3.625 20 0 EHADRM C[C@H](Oc1ccc(CN2CCCCC[C@@H]2C(F)(F)F)cc1)C(=O)[O-] ZINC001593615683 995837361 /nfs/dbraw/zinc/83/73/61/995837361.db2.gz OTDYNOJKPWAQMT-SWLSCSKDSA-N -1 0 345.361 3.845 20 0 EHADRM C[C@@H](Oc1cccc2ccccc21)C(=O)N[C@H](CC(=O)[O-])C(C)(C)C ZINC001593640274 995944471 /nfs/dbraw/zinc/94/44/71/995944471.db2.gz BPBXZGGBRPXLPW-CXAGYDPISA-N -1 0 343.423 3.613 20 0 EHADRM C[C@H](Oc1ccccc1Cl)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC001593651902 996014559 /nfs/dbraw/zinc/01/45/59/996014559.db2.gz SFKUNIDAYLWXHP-UWVGGRQHSA-N -1 0 338.743 3.703 20 0 EHADRM C[C@@H](Oc1ccccc1CNc1ccc2c(c1)CC(C)(C)O2)C(=O)[O-] ZINC001593651917 996014639 /nfs/dbraw/zinc/01/46/39/996014639.db2.gz SUXCMUGGNBVVRF-CYBMUJFWSA-N -1 0 341.407 3.864 20 0 EHADRM C[C@@H](c1ccc(C(=O)Nc2ccc(C(=O)[O-])nc2)cc1)C(F)(F)F ZINC001593686060 996121205 /nfs/dbraw/zinc/12/12/05/996121205.db2.gz MRGSSOWHUOKKBS-VIFPVBQESA-N -1 0 338.285 3.698 20 0 EHADRM C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001593704596 996183911 /nfs/dbraw/zinc/18/39/11/996183911.db2.gz BRSMBXHDULJIPI-HVHMOWFCSA-N -1 0 339.391 3.786 20 0 EHADRM C[C@@H](c1ncc(C(=O)[O-])s1)N1CC(Cc2ccc(Cl)cc2)C1 ZINC001593730866 996297726 /nfs/dbraw/zinc/29/77/26/996297726.db2.gz AIERLAYXGUOCDC-JTQLQIEISA-N -1 0 336.844 3.730 20 0 EHADRM CC1(C(=O)COC(=O)c2ccccc2-c2ccccc2C(=O)[O-])CC1 ZINC001593742868 996363218 /nfs/dbraw/zinc/36/32/18/996363218.db2.gz FDBMMWZHRDAVTJ-UHFFFAOYSA-N -1 0 338.359 3.578 20 0 EHADRM O=C([O-])CCN(C(=O)Cc1csc2ccc(Cl)cc12)C1CC1 ZINC000683305159 1016029272 /nfs/dbraw/zinc/02/92/72/1016029272.db2.gz HEXKSPPXTNWQLU-UHFFFAOYSA-N -1 0 337.828 3.563 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N(CCC(=O)[O-])CC3CC3)s2)o1 ZINC000683305076 1016030767 /nfs/dbraw/zinc/03/07/67/1016030767.db2.gz XZIAEIDNCSUCIC-UHFFFAOYSA-N -1 0 333.409 3.643 20 0 EHADRM CC1(C)C(C(=O)CSc2nc3ccc(C(=O)[O-])cc3o2)C1(C)C ZINC001593825846 996570483 /nfs/dbraw/zinc/57/04/83/996570483.db2.gz OELBBYCZOVMTKI-UHFFFAOYSA-N -1 0 333.409 3.869 20 0 EHADRM CC1(C)[C@@H](c2ccccc2)CCN1C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001593841479 996599397 /nfs/dbraw/zinc/59/93/97/996599397.db2.gz AFNQEYMJQGOGTB-GVDBMIGSSA-N -1 0 329.440 3.672 20 0 EHADRM CC1(C)C[C@]1(C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC001593864898 996669533 /nfs/dbraw/zinc/66/95/33/996669533.db2.gz KZJRPDXTCYGTMT-KGVIQGDOSA-N -1 0 349.430 3.784 20 0 EHADRM CC1(C)CCC[C@H](CNC(=O)Cn2cc(C(=O)[O-])c3ccccc32)C1 ZINC001593884368 996721040 /nfs/dbraw/zinc/72/10/40/996721040.db2.gz CGRGIGAWCZRWCJ-AWEZNQCLSA-N -1 0 342.439 3.672 20 0 EHADRM CC1(C)CCC[C@@H](CNC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)C1 ZINC001593888345 996732057 /nfs/dbraw/zinc/73/20/57/996732057.db2.gz XDYFKKMXDUIAJL-RHSMWYFYSA-N -1 0 344.455 3.596 20 0 EHADRM CC(C)(C)SCCCC(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001593891514 996736984 /nfs/dbraw/zinc/73/69/84/996736984.db2.gz KZWZGQJRVULCJV-QGZVFWFLSA-N -1 0 329.506 3.838 20 0 EHADRM CC1(C)CCC[C@](NC(=O)c2ccccc2OCC2CC2)(C(=O)[O-])C1 ZINC001593893040 996745253 /nfs/dbraw/zinc/74/52/53/996745253.db2.gz WKRXXCRKEGFCLJ-HXUWFJFHSA-N -1 0 345.439 3.629 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCc1nccc(Cl)c1Cl ZINC001599379247 996804600 /nfs/dbraw/zinc/80/46/00/996804600.db2.gz AMDJLQPBYUPPRF-UHFFFAOYSA-N -1 0 328.151 3.674 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC[C@@H](OC(C)C)c1ccccc1 ZINC001599379525 996809961 /nfs/dbraw/zinc/80/99/61/996809961.db2.gz JOAVWHSZBDCOHI-GOSISDBHSA-N -1 0 330.380 3.939 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)c1ccc2nc(C)sc2c1 ZINC001599379635 996810809 /nfs/dbraw/zinc/81/08/09/996810809.db2.gz SOCCGDOKBULLOI-UHFFFAOYSA-N -1 0 343.360 3.531 20 0 EHADRM COCc1c2ccccc2oc1C(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC001599278551 996853830 /nfs/dbraw/zinc/85/38/30/996853830.db2.gz NTMUXHUMTMMMOY-INIZCTEOSA-N -1 0 340.331 3.562 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)cc1C ZINC001599486429 996857908 /nfs/dbraw/zinc/85/79/08/996857908.db2.gz QZAKCEMMXMPNJE-UHFFFAOYSA-N -1 0 337.734 3.747 20 0 EHADRM COc1ccc(C(=O)Nc2cccc3cc(C(=O)[O-])sc32)c(F)c1 ZINC001599487141 996869821 /nfs/dbraw/zinc/86/98/21/996869821.db2.gz JVMCXDFXQPJSHK-UHFFFAOYSA-N -1 0 345.351 4.000 20 0 EHADRM Cc1cc2[nH]c(C(=O)N3Cc4ccccc4[C@H](C(=O)[O-])C3)cc2c(C)c1 ZINC000347347387 1032138002 /nfs/dbraw/zinc/13/80/02/1032138002.db2.gz MUZREXHCEOEFLO-QGZVFWFLSA-N -1 0 348.402 3.609 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cc(Cl)ccc2C)c1F ZINC001599490347 996927412 /nfs/dbraw/zinc/92/74/12/996927412.db2.gz YQEAZFHWCUKIOY-UHFFFAOYSA-N -1 0 337.734 3.747 20 0 EHADRM COc1ccc(C(=O)[O-])c(OCc2nc(-c3ccccc3)oc2C)c1 ZINC001599492822 996969932 /nfs/dbraw/zinc/96/99/32/996969932.db2.gz YDXSHONGIYVQFU-UHFFFAOYSA-N -1 0 339.347 3.936 20 0 EHADRM COCc1cc(NC(=O)c2ccsc2C(F)F)cc(C(=O)[O-])c1 ZINC001599288542 997022981 /nfs/dbraw/zinc/02/29/81/997022981.db2.gz YXVPOOFSCREMRR-UHFFFAOYSA-N -1 0 341.335 3.783 20 0 EHADRM COc1cc(C)c([C@H](C)OC(=O)c2cc(C)c(C(=O)[O-])o2)cc1C ZINC001599391048 997037517 /nfs/dbraw/zinc/03/75/17/997037517.db2.gz VQMGMIQTPNSYDD-LBPRGKRZSA-N -1 0 332.352 3.830 20 0 EHADRM COCc1cc(NC/C=C/c2ccc(F)c(F)c2)cc(C(=O)[O-])c1 ZINC001599289552 997040250 /nfs/dbraw/zinc/04/02/50/997040250.db2.gz HRYWZMVJUHVCRP-NSCUHMNNSA-N -1 0 333.334 3.935 20 0 EHADRM COc1ccc(C(=O)[O-])cc1CSc1nnc(-c2cccs2)o1 ZINC001599499871 997096307 /nfs/dbraw/zinc/09/63/07/997096307.db2.gz QEWFVKODLIKABM-UHFFFAOYSA-N -1 0 348.405 3.797 20 0 EHADRM COc1ccc(C(=O)[O-])cc1CSc1nc2nc(C)ccc2o1 ZINC001599500113 997101803 /nfs/dbraw/zinc/10/18/03/997101803.db2.gz URVKTUVSFWYKGH-UHFFFAOYSA-N -1 0 330.365 3.530 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)C[C@@H]1CCCC[C@@H]1C ZINC001599396250 997132027 /nfs/dbraw/zinc/13/20/27/997132027.db2.gz MAKUXHYIBCUMJU-AWGPODSSSA-N -1 0 332.396 3.915 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1occc1C(C)C ZINC001599398284 997168775 /nfs/dbraw/zinc/16/87/75/997168775.db2.gz IOERVLJQBKOKBT-FNORWQNLSA-N -1 0 330.336 3.729 20 0 EHADRM COc1ccc(/C(C)=C\C(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC001599505249 997200472 /nfs/dbraw/zinc/20/04/72/997200472.db2.gz ISSGXVRWULHRPO-OWBHPGMISA-N -1 0 339.391 3.754 20 0 EHADRM CC1(C)[C@@H](CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)[C@@H]1c1ccccc1 ZINC001593988241 997240220 /nfs/dbraw/zinc/24/02/20/997240220.db2.gz NVORIDGZNMURPH-HOTGVXAUSA-N -1 0 341.451 3.578 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)OCC2CCCCC2)cc1 ZINC001599512134 997316186 /nfs/dbraw/zinc/31/61/86/997316186.db2.gz LUOKVHHITAOOQU-MRXNPFEDSA-N -1 0 335.400 3.518 20 0 EHADRM C[C@@](NC(=O)CCC1(C)CC1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593999188 997336460 /nfs/dbraw/zinc/33/64/60/997336460.db2.gz GMYNMYHMPQYGLG-INIZCTEOSA-N -1 0 344.238 3.990 20 0 EHADRM CON(C(=O)c1ccc(Oc2ccccc2)cc1C)[C@@H](C)CC(=O)[O-] ZINC001599310837 997411913 /nfs/dbraw/zinc/41/19/13/997411913.db2.gz GGKYYWBEVFHPQV-AWEZNQCLSA-N -1 0 343.379 3.654 20 0 EHADRM COc1cc(CNC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)ccc1C ZINC001599411457 997429765 /nfs/dbraw/zinc/42/97/65/997429765.db2.gz BOPBLJCNUCUHEA-ZDUSSCGKSA-N -1 0 342.395 3.513 20 0 EHADRM CON(C(=O)c1ccccc1-c1ccccc1C(=O)[O-])C1CCCC1 ZINC001599313158 997451982 /nfs/dbraw/zinc/45/19/82/997451982.db2.gz JCTXEYNHOFZWJB-UHFFFAOYSA-N -1 0 339.391 3.998 20 0 EHADRM CON(CC(C)(C)C)C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001599317311 997523997 /nfs/dbraw/zinc/52/39/97/997523997.db2.gz IQTVRVGWCUYGSS-UHFFFAOYSA-N -1 0 332.759 3.619 20 0 EHADRM CON(C[C@@H]1CCC[C@H](C)C1)C(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001599317491 997525657 /nfs/dbraw/zinc/52/56/57/997525657.db2.gz NNWHOJOTHGEAQP-GXTWGEPZSA-N -1 0 334.416 3.915 20 0 EHADRM C[C@@]1(CNC(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)CC1(F)F ZINC001594020485 997529458 /nfs/dbraw/zinc/52/94/58/997529458.db2.gz OTAZZIDTTXUWMK-INIZCTEOSA-N -1 0 334.322 3.705 20 0 EHADRM COc1cc(CSC2CCC2)c(Br)cc1C(=O)[O-] ZINC001599418016 997544131 /nfs/dbraw/zinc/54/41/31/997544131.db2.gz JAUYOKXPGPCBGY-UHFFFAOYSA-N -1 0 331.231 3.942 20 0 EHADRM CON(Cc1cc(C(=O)[O-])sc1C)[C@H](C)c1csc(C)n1 ZINC001599319007 997548047 /nfs/dbraw/zinc/54/80/47/997548047.db2.gz PBFRWEYDRRMCCR-MRVPVSSYSA-N -1 0 326.443 3.644 20 0 EHADRM COc1cc(CNc2cnc(C(=O)[O-])c(Cl)c2)ccc1SC ZINC001599418499 997552707 /nfs/dbraw/zinc/55/27/07/997552707.db2.gz NMBLSICBNUDFJO-UHFFFAOYSA-N -1 0 338.816 3.776 20 0 EHADRM CO[C@@H]1CCC[C@@H](CC(=O)O[C@@H]2CCCc3cc(C(=O)[O-])ccc32)C1 ZINC001599111862 997584038 /nfs/dbraw/zinc/58/40/38/997584038.db2.gz GTNQPPQYNBTDIF-MZMPZRCHSA-N -1 0 346.423 3.901 20 0 EHADRM COc1ccc([C@@H](N[C@H](C)c2cc3ccccc3o2)C(=O)[O-])cc1 ZINC001599528220 997600734 /nfs/dbraw/zinc/60/07/34/997600734.db2.gz OHQGHNBSRRPVDW-KZULUSFZSA-N -1 0 325.364 3.918 20 0 EHADRM COc1cc(F)c(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)c(Cl)c1 ZINC001599421341 997600826 /nfs/dbraw/zinc/60/08/26/997600826.db2.gz XFSSBHVSBSZQJV-UHFFFAOYSA-N -1 0 348.717 3.903 20 0 EHADRM COc1ccc([C@H](N[C@H](C)c2cc3ccccc3o2)C(=O)[O-])cc1 ZINC001599528222 997600923 /nfs/dbraw/zinc/60/09/23/997600923.db2.gz OHQGHNBSRRPVDW-XIKOKIGWSA-N -1 0 325.364 3.918 20 0 EHADRM CO[C@@H]1CCC[C@@H](CC(=O)Oc2cc(Cl)ccc2C(=O)[O-])C1 ZINC001599114139 997622373 /nfs/dbraw/zinc/62/23/73/997622373.db2.gz XFSWBWTZAIBTEK-ZYHUDNBSSA-N -1 0 326.776 3.539 20 0 EHADRM CO[C@@H]1CCC[C@@H]1CNC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001599116097 997654674 /nfs/dbraw/zinc/65/46/74/997654674.db2.gz XVFQXWFSKGRKKH-DGCLKSJQSA-N -1 0 348.424 3.536 20 0 EHADRM COCCCC[C@H](NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001599223412 997713063 /nfs/dbraw/zinc/71/30/63/997713063.db2.gz LCPUDVZWMFKSAD-BZSNNMDCSA-N -1 0 347.455 3.552 20 0 EHADRM COc1c(C)cc(C(=O)Nc2c(F)ccc(F)c2C(=O)[O-])cc1C ZINC001599331276 997752793 /nfs/dbraw/zinc/75/27/93/997752793.db2.gz KCPUNUZPTAZCAM-UHFFFAOYSA-N -1 0 335.306 3.541 20 0 EHADRM COc1cccc(C2(C(=O)[N-]OCCC(F)(F)F)CCCC2)c1 ZINC000275208617 1016152557 /nfs/dbraw/zinc/15/25/57/1016152557.db2.gz JRVQNZYMOGCOKY-UHFFFAOYSA-N -1 0 331.334 3.507 20 0 EHADRM COc1c(C)ccc(NC(=O)NC[C@H](CC2CCCC2)C(=O)[O-])c1C ZINC001599332445 997771456 /nfs/dbraw/zinc/77/14/56/997771456.db2.gz AOUYDKDMDKPSOP-HNNXBMFYSA-N -1 0 348.443 3.715 20 0 EHADRM COc1cc(NC(=O)/C=C(\C)c2cccc(F)c2)ccc1C(=O)[O-] ZINC001599431788 997772363 /nfs/dbraw/zinc/77/23/63/997772363.db2.gz NIZJBVIKTCKQAM-DHZHZOJOSA-N -1 0 329.327 3.575 20 0 EHADRM O=S(=O)([N-]c1nccs1)c1ccc(OCc2ccccc2)cc1 ZINC000340039531 1016155953 /nfs/dbraw/zinc/15/59/53/1016155953.db2.gz IPXMDLUORGORNF-UHFFFAOYSA-N -1 0 346.433 3.523 20 0 EHADRM COc1cc(NC(=O)[C@@H](C)Cc2ccccc2Cl)ccc1C(=O)[O-] ZINC001599433136 997795598 /nfs/dbraw/zinc/79/55/98/997795598.db2.gz GNMDDWSOVPNIIC-NSHDSACASA-N -1 0 347.798 3.864 20 0 EHADRM C[C@]1(NC(=O)c2nc3ccccc3cc2Cl)CCCC[C@H]1C(=O)[O-] ZINC001594056304 997795796 /nfs/dbraw/zinc/79/57/96/997795796.db2.gz ONLCRRTXVHUQRY-SGTLLEGYSA-N -1 0 346.814 3.652 20 0 EHADRM COc1cc(NC(=O)N2CCC[C@H]2c2ccccc2)ccc1C(=O)[O-] ZINC001599434067 997810626 /nfs/dbraw/zinc/81/06/26/997810626.db2.gz BCDMRZDFVAPMRG-INIZCTEOSA-N -1 0 340.379 3.762 20 0 EHADRM CC1(NC(=O)Nc2cnc(C(=O)[O-])c(Cl)c2)CCC(F)(F)CC1 ZINC001594057984 997814599 /nfs/dbraw/zinc/81/45/99/997814599.db2.gz SSSDVIICRXOVMJ-UHFFFAOYSA-N -1 0 347.749 3.523 20 0 EHADRM C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cccc(Br)c1[O-] ZINC000536692397 1032141339 /nfs/dbraw/zinc/14/13/39/1032141339.db2.gz FGSLBKUTCXHLHQ-MFKMUULPSA-N -1 0 326.234 3.805 20 0 EHADRM CCCOc1ccc(CNC(=O)c2ccc([O-])c(Cl)c2)cc1OC ZINC000047538038 1016157780 /nfs/dbraw/zinc/15/77/80/1016157780.db2.gz RASGDYSDFRXHMZ-UHFFFAOYSA-N -1 0 349.814 3.773 20 0 EHADRM COc1ccc(/C=C/C(=O)Nc2c(C)sc(C)c2C(=O)[O-])cc1 ZINC001599541300 997848182 /nfs/dbraw/zinc/84/81/82/997848182.db2.gz FEPFGNHXLAALJQ-RMKNXTFCSA-N -1 0 331.393 3.724 20 0 EHADRM COc1cc(NC(=O)N[C@@H](CC(=O)[O-])c2cccs2)c(C)cc1C ZINC001599436857 997862042 /nfs/dbraw/zinc/86/20/42/997862042.db2.gz JGKHHPRZFPOGFI-ZDUSSCGKSA-N -1 0 348.424 3.711 20 0 EHADRM COc1c(NC(=O)CSc2cc(C)ccc2C)cccc1C(=O)[O-] ZINC001599338703 997883131 /nfs/dbraw/zinc/88/31/31/997883131.db2.gz SFOHRGBXJKDWEU-UHFFFAOYSA-N -1 0 345.420 3.741 20 0 EHADRM COc1cc(NC(=O)N2Cc3ccccc3[C@@H](C)C2)ccc1C(=O)[O-] ZINC001599438119 997883958 /nfs/dbraw/zinc/88/39/58/997883958.db2.gz SYXRBZQCEOAZCR-LBPRGKRZSA-N -1 0 340.379 3.545 20 0 EHADRM COc1cc(NC(=O)NC[C@H](C)c2cccc(C)c2)ccc1C(=O)[O-] ZINC001599439011 997900483 /nfs/dbraw/zinc/90/04/83/997900483.db2.gz XATAUKQUJDENGH-ZDUSSCGKSA-N -1 0 342.395 3.627 20 0 EHADRM COc1c(NC(=O)NCCCC2CCCCC2)cccc1C(=O)[O-] ZINC001599340634 997916675 /nfs/dbraw/zinc/91/66/75/997916675.db2.gz JJUBXDLKTZEBTB-UHFFFAOYSA-N -1 0 334.416 3.875 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1ccc(C)c(C)c1 ZINC001599547377 997946700 /nfs/dbraw/zinc/94/67/00/997946700.db2.gz UOCVEUIVROEKRU-RMKNXTFCSA-N -1 0 326.348 3.629 20 0 EHADRM CC1(c2ccccc2C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)CC1 ZINC001594078892 997956277 /nfs/dbraw/zinc/95/62/77/997956277.db2.gz BGVGLPCIROZGJP-INIZCTEOSA-N -1 0 329.440 3.749 20 0 EHADRM COc1c(NC(=O)c2ccc(C(F)F)c(F)c2)cccc1C(=O)[O-] ZINC001599343230 997957130 /nfs/dbraw/zinc/95/71/30/997957130.db2.gz WVYDWEDBDJHCOC-UHFFFAOYSA-N -1 0 339.269 3.722 20 0 EHADRM COc1ccc(CC(=O)O[C@H]2CCCc3cc(C(=O)[O-])ccc32)cc1 ZINC001599549444 997980094 /nfs/dbraw/zinc/98/00/94/997980094.db2.gz PUJHNYKFHGPFCS-SFHVURJKSA-N -1 0 340.375 3.557 20 0 EHADRM COc1ccc(C[C@@H](C)C(=O)Oc2ccc(C(=O)[O-])cc2Cl)cc1 ZINC001599550208 997993896 /nfs/dbraw/zinc/99/38/96/997993896.db2.gz KRCMEIOVWHWQLG-LLVKDONJSA-N -1 0 348.782 3.831 20 0 EHADRM COc1ccc(C[C@H](C)C(=O)Oc2ccc(C(=O)[O-])cc2Cl)cc1 ZINC001599550209 997994084 /nfs/dbraw/zinc/99/40/84/997994084.db2.gz KRCMEIOVWHWQLG-NSHDSACASA-N -1 0 348.782 3.831 20 0 EHADRM COc1cc(OC(=O)C[C@@H]2C[C@H]2Cc2ccccc2)ccc1C(=O)[O-] ZINC001599445676 998005363 /nfs/dbraw/zinc/00/53/63/998005363.db2.gz KOXXLIJTJHQZHZ-CABCVRRESA-N -1 0 340.375 3.568 20 0 EHADRM COc1cc(OC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)ccc1C(=O)[O-] ZINC001599446220 998013934 /nfs/dbraw/zinc/01/39/34/998013934.db2.gz PRHWOLJYSZQZGP-ZJUUUORDSA-N -1 0 346.301 3.668 20 0 EHADRM COc1cc(OC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)ccc1C(=O)[O-] ZINC001599446214 998014538 /nfs/dbraw/zinc/01/45/38/998014538.db2.gz PRHWOLJYSZQZGP-NXEZZACHSA-N -1 0 346.301 3.668 20 0 EHADRM COc1cc(OC(=O)c2oc3c(cccc3C)c2C)ccc1C(=O)[O-] ZINC001599447330 998030330 /nfs/dbraw/zinc/03/03/30/998030330.db2.gz NZVPYOGHKZDLBY-UHFFFAOYSA-N -1 0 340.331 3.976 20 0 EHADRM COc1cc(OC(=O)c2csc(C(F)(F)F)c2)ccc1C(=O)[O-] ZINC001599447443 998031408 /nfs/dbraw/zinc/03/14/08/998031408.db2.gz QTEJFBLUYIXHDM-UHFFFAOYSA-N -1 0 346.282 3.693 20 0 EHADRM COc1ccc(CCC(=O)Oc2cc(C(=O)[O-])ccc2C)cc1Cl ZINC001599553167 998044143 /nfs/dbraw/zinc/04/41/43/998044143.db2.gz XEAAQNAYENKGES-UHFFFAOYSA-N -1 0 348.782 3.893 20 0 EHADRM COc1ccc(CC[C@H](C)Nc2ccc(C(=O)[O-])cc2OC)cc1O ZINC001599553583 998051756 /nfs/dbraw/zinc/05/17/56/998051756.db2.gz LEKMPFVLKLZBFS-LBPRGKRZSA-N -1 0 345.395 3.541 20 0 EHADRM COc1cc(OC)c(N[C@@H](C)c2cc(C(=O)[O-])cs2)cc1F ZINC001599448868 998056724 /nfs/dbraw/zinc/05/67/24/998056724.db2.gz LMWNSQAXUOXZMS-QMMMGPOBSA-N -1 0 325.361 3.776 20 0 EHADRM COc1cc(OC)c2c(c1)N([C@H](C(=O)[O-])c1ccccc1C)CCC2 ZINC001599449097 998061070 /nfs/dbraw/zinc/06/10/70/998061070.db2.gz OTRCULSGKLWDRL-IBGZPJMESA-N -1 0 341.407 3.591 20 0 EHADRM CC1=C(C(=O)Nc2nc(C3CCCC3)c(C(=O)[O-])s2)CCCO1 ZINC001594095174 998062075 /nfs/dbraw/zinc/06/20/75/998062075.db2.gz BCACUTSWAILBCQ-UHFFFAOYSA-N -1 0 336.413 3.522 20 0 EHADRM CC1=C(C(=O)[O-])[C@H](c2ccc(C(F)F)cc2)NC(=O)N1CC(C)C ZINC001594095222 998063766 /nfs/dbraw/zinc/06/37/66/998063766.db2.gz FLPUBFALCXISPZ-AWEZNQCLSA-N -1 0 338.354 3.705 20 0 EHADRM Cc1ccc(N2C(=O)N[C@H](c3cccs3)C(C(=O)[O-])=C2C)cc1F ZINC001594098326 998079705 /nfs/dbraw/zinc/07/97/05/998079705.db2.gz SCTQEAJLTDSZKR-OAHLLOKOSA-N -1 0 346.383 3.825 20 0 EHADRM CO[C@H]1Cc2ccc(NCc3ccc(C(=O)[O-])c(Cl)c3)cc2C1 ZINC001599138425 998085078 /nfs/dbraw/zinc/08/50/78/998085078.db2.gz LJLKHGCSUOLCLK-HNNXBMFYSA-N -1 0 331.799 3.764 20 0 EHADRM COc1cc(OC)cc([C@@H](Sc2ccccc2OC)C(=O)[O-])c1 ZINC001599451539 998111325 /nfs/dbraw/zinc/11/13/25/998111325.db2.gz KJCHLNJVLNKIES-MRXNPFEDSA-N -1 0 334.393 3.630 20 0 EHADRM COc1ccc(CN(C)C(=O)c2ccc(C)c(C(=O)[O-])c2)cc1Cl ZINC001599557559 998121913 /nfs/dbraw/zinc/12/19/13/998121913.db2.gz DBIYAEYQQIQSRE-UHFFFAOYSA-N -1 0 347.798 3.627 20 0 EHADRM CC1=C(C(=O)[O-])C[C@H](CSc2nc3ccc(F)cc3s2)O1 ZINC001594107300 998174433 /nfs/dbraw/zinc/17/44/33/998174433.db2.gz ZYXIWWFPPIXLQQ-SECBINFHSA-N -1 0 325.386 3.675 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2ccccc2Oc2cccnc2)cc1 ZINC000683325110 1016193203 /nfs/dbraw/zinc/19/32/03/1016193203.db2.gz FPWAJPIAEAMJHZ-UHFFFAOYSA-N -1 0 348.358 3.753 20 0 EHADRM CC1=C(C(=O)O[C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)CCC1 ZINC001594108315 998178180 /nfs/dbraw/zinc/17/81/80/998178180.db2.gz IDHMVLFKHDHLIV-CYBMUJFWSA-N -1 0 328.286 3.875 20 0 EHADRM COc1cc(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)ccc1C ZINC001599356156 998182484 /nfs/dbraw/zinc/18/24/84/998182484.db2.gz WUXCOPNLNVNFMI-UHFFFAOYSA-N -1 0 337.734 3.747 20 0 EHADRM COCC(C)(C)CC(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001599144468 998188580 /nfs/dbraw/zinc/18/85/80/998188580.db2.gz APJKRRMLRLXIFU-CYBMUJFWSA-N -1 0 348.317 3.594 20 0 EHADRM COc1cc(C(=O)Nc2scc(C)c2C(=O)[O-])c2ccccc2n1 ZINC001599356682 998190569 /nfs/dbraw/zinc/19/05/69/998190569.db2.gz RXNVELUOSZUVAP-UHFFFAOYSA-N -1 0 342.376 3.564 20 0 EHADRM COc1cc(OCc2cnc(OC)c3ccccc23)ccc1C(=O)[O-] ZINC001599457162 998207363 /nfs/dbraw/zinc/20/73/63/998207363.db2.gz ZBAJVQQUBJKPMQ-UHFFFAOYSA-N -1 0 339.347 3.529 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)c2cc(C(C)(C)C)oc2C)c1O ZINC001599360609 998254472 /nfs/dbraw/zinc/25/44/72/998254472.db2.gz OFQXXTDCXYDQNT-UHFFFAOYSA-N -1 0 347.367 3.550 20 0 EHADRM COc1cc(C(=O)[O-])cc(N[C@@H]2CS[C@H](C(C)(C)C)C2)c1OC ZINC001599362560 998283298 /nfs/dbraw/zinc/28/32/98/998283298.db2.gz WWIPZLCYZJWONZ-FZMZJTMJSA-N -1 0 339.457 3.734 20 0 EHADRM COc1cc(C(=O)[O-])cc(N[C@H]2CS[C@@H](C(C)(C)C)C2)c1OC ZINC001599362559 998283524 /nfs/dbraw/zinc/28/35/24/998283524.db2.gz WWIPZLCYZJWONZ-BXUZGUMPSA-N -1 0 339.457 3.734 20 0 EHADRM COc1cc(C(=O)[O-])ccc1CCNC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001599367619 998360732 /nfs/dbraw/zinc/36/07/32/998360732.db2.gz SVJKBNAAUBNOQF-RBZFPXEDSA-N -1 0 347.455 3.515 20 0 EHADRM COc1ccc(-c2cc(C(=O)O[C@H](C(=O)[O-])C(C)C)sc2C)cc1 ZINC001599467268 998384266 /nfs/dbraw/zinc/38/42/66/998384266.db2.gz BTXUYFACYYBJAR-INIZCTEOSA-N -1 0 348.420 3.998 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC001599370069 998394976 /nfs/dbraw/zinc/39/49/76/998394976.db2.gz FNMLNHXZUNPEQX-ZIAGYGMSSA-N -1 0 345.782 3.789 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC001594138024 998398455 /nfs/dbraw/zinc/39/84/55/998398455.db2.gz ZTJVZBZBPGTFPX-AGRHKRQWSA-N -1 0 341.382 3.683 20 0 EHADRM COC[C@H](C)[C@H](C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1Cl ZINC001599159423 998431115 /nfs/dbraw/zinc/43/11/15/998431115.db2.gz UMXYAPANLRLOPZ-YUMQZZPRSA-N -1 0 334.199 3.549 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1c(C)oc2ccccc21 ZINC001599374078 998459536 /nfs/dbraw/zinc/45/95/36/998459536.db2.gz KMMSTMBYXIFBLC-UHFFFAOYSA-N -1 0 325.320 3.700 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)Nc1cccc2[nH]ccc21 ZINC001599374568 998466796 /nfs/dbraw/zinc/46/67/96/998466796.db2.gz QSTFWAMPPVDMDC-UHFFFAOYSA-N -1 0 325.324 3.519 20 0 EHADRM COc1ccc(Cl)cc1CN(C)Cc1cc(C(=O)[O-])cs1 ZINC001599577610 998470799 /nfs/dbraw/zinc/47/07/99/998470799.db2.gz FLXFUWNEEVXNMP-UHFFFAOYSA-N -1 0 325.817 3.740 20 0 EHADRM COc1ccc(-n2ccnc2S[C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC001599474427 998504610 /nfs/dbraw/zinc/50/46/10/998504610.db2.gz RVGIVRAHBOARKJ-CQSZACIVSA-N -1 0 346.433 3.860 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)OCc1ccc(Cl)cc1 ZINC001599378254 998523770 /nfs/dbraw/zinc/52/37/70/998523770.db2.gz JGETXEYHOOZVRQ-UHFFFAOYSA-N -1 0 336.727 3.762 20 0 EHADRM COc1ccc(F)cc1C(=O)Oc1cc2ccccc2cc1C(=O)[O-] ZINC001599582255 998551916 /nfs/dbraw/zinc/55/19/16/998551916.db2.gz QFVZXSILCFFMPS-UHFFFAOYSA-N -1 0 340.306 3.905 20 0 EHADRM COC[C@@H](N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccc(Cl)cc1 ZINC001599172344 998624703 /nfs/dbraw/zinc/62/47/03/998624703.db2.gz CSADJBCVYXQQHX-JOYOIKCWSA-N -1 0 340.832 3.533 20 0 EHADRM C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC001594172868 998663865 /nfs/dbraw/zinc/66/38/65/998663865.db2.gz IILVXFSSIOWSGF-KWQFWETISA-N -1 0 348.296 3.719 20 0 EHADRM C[C@H]1[C@H](Nc2ccccc2OC[C@H]2CCCCO2)CC[C@H]1CC(=O)[O-] ZINC001594184090 998713007 /nfs/dbraw/zinc/71/30/07/998713007.db2.gz FBRILRILOQNIJB-YYIAUSFCSA-N -1 0 347.455 3.936 20 0 EHADRM C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1Nc1cnn(-c2ccccc2Cl)c1 ZINC001594184082 998713016 /nfs/dbraw/zinc/71/30/16/998713016.db2.gz FAGROVWXISBSBG-XUJVJEKNSA-N -1 0 333.819 3.827 20 0 EHADRM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1C(=O)c1ccc(C2=CCCC2)cc1 ZINC001594205712 998790560 /nfs/dbraw/zinc/79/05/60/998790560.db2.gz JEIDZLRNANCHNU-ZIAGYGMSSA-N -1 0 327.424 3.968 20 0 EHADRM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001594216282 998831751 /nfs/dbraw/zinc/83/17/51/998831751.db2.gz VPAJEXLORLBWJM-GUYCJALGSA-N -1 0 344.455 3.667 20 0 EHADRM C[C@@H]1C[C@H](CNC(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CCO1 ZINC001594239085 998910634 /nfs/dbraw/zinc/91/06/34/998910634.db2.gz LMADICXJDKHVJV-GHMZBOCLSA-N -1 0 348.424 3.536 20 0 EHADRM Cc1ccc2cccc([N-]S(=O)(=O)c3ccc4c(c3)CCC4)c2n1 ZINC000340092588 1016262000 /nfs/dbraw/zinc/26/20/00/1016262000.db2.gz UADWNPQLPSLKDX-UHFFFAOYSA-N -1 0 338.432 3.833 20 0 EHADRM COC(=O)c1csc(SCc2c(Cl)cccc2C(=O)[O-])n1 ZINC001599014957 998930521 /nfs/dbraw/zinc/93/05/21/998930521.db2.gz IHTXAPYXZMIQCT-UHFFFAOYSA-N -1 0 343.813 3.574 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C[C@@H](c2ccccc2)C1 ZINC001594259428 998998962 /nfs/dbraw/zinc/99/89/62/998998962.db2.gz FQOISQRVRHZSHV-XFUTXVRSSA-N -1 0 343.467 3.966 20 0 EHADRM CO[C@H](C(=O)[O-])c1ccccc1OCc1ccccc1OC1CC1 ZINC001599025812 999015586 /nfs/dbraw/zinc/01/55/86/999015586.db2.gz GIHADBWQMKAOIK-SFHVURJKSA-N -1 0 328.364 3.579 20 0 EHADRM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccccc1C(=O)[O-] ZINC001594266409 999033243 /nfs/dbraw/zinc/03/32/43/999033243.db2.gz OEJVJFVRSQRQTB-JSGCOSHPSA-N -1 0 327.355 3.542 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001594270240 999044156 /nfs/dbraw/zinc/04/41/56/999044156.db2.gz RMVRZQBXISYETF-JHGBEIFQSA-N -1 0 349.430 3.650 20 0 EHADRM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001594285885 999106545 /nfs/dbraw/zinc/10/65/45/999106545.db2.gz PYQUFKBTIJVVOT-WYGQYTNYSA-N -1 0 341.451 3.603 20 0 EHADRM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC001594287590 999112755 /nfs/dbraw/zinc/11/27/55/999112755.db2.gz WREHCSFVHAQSGA-DBIOUOCHSA-N -1 0 336.457 3.760 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)C1 ZINC001594291024 999121371 /nfs/dbraw/zinc/12/13/71/999121371.db2.gz CFBMLLYYXFAWNM-WMLDXEAASA-N -1 0 329.440 3.602 20 0 EHADRM C[C@H](NC(=O)C=C1CCC(C)CC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001594291769 999124801 /nfs/dbraw/zinc/12/48/01/999124801.db2.gz YGWNETZWCZPXKV-UFFKYAFASA-N -1 0 329.440 3.571 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)N(Cc2ccccc2)C(C)(C)C(=O)[O-])C[C@H]1C ZINC001594291985 999126252 /nfs/dbraw/zinc/12/62/52/999126252.db2.gz MSKPNKDLQNAYCI-INMHGKMJSA-N -1 0 331.456 3.951 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001594292405 999128040 /nfs/dbraw/zinc/12/80/40/999128040.db2.gz KNHWGXOQTYYDRN-NRUUGDAUSA-N -1 0 338.354 3.848 20 0 EHADRM C[C@@H]1CCC(C)(C)N1C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC001594296397 999141949 /nfs/dbraw/zinc/14/19/49/999141949.db2.gz QQSXSQJHXPOKTE-SNVBAGLBSA-N -1 0 340.807 3.598 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1CNC(=O)N1CCC(CC(=O)[O-])CC1 ZINC001594296550 999142753 /nfs/dbraw/zinc/14/27/53/999142753.db2.gz OAEJGDITBNHSDA-OIISXLGYSA-N -1 0 338.492 3.591 20 0 EHADRM C[C@@H]1CC[C@](NC(=O)[C@@H]2C[C@H]2c2ccccc2)(C(=O)[O-])c2ccccc21 ZINC001594313105 999203497 /nfs/dbraw/zinc/20/34/97/999203497.db2.gz JHPYZNYFWSUFAC-AQHYUZTGSA-N -1 0 349.430 3.784 20 0 EHADRM C[C@@H]1CC[C@](NC(=O)C=C(C2CC2)C2CC2)(C(=O)[O-])c2ccccc21 ZINC001594314862 999218956 /nfs/dbraw/zinc/21/89/56/999218956.db2.gz SRNUMUMMPCKESC-LRTDBIEQSA-N -1 0 339.435 3.726 20 0 EHADRM C[C@H]1CC[C@](NC(=O)c2ccc(Cl)cc2)(C(=O)[O-])c2ccccc21 ZINC001594322312 999241464 /nfs/dbraw/zinc/24/14/64/999241464.db2.gz JZZXCLBFZIDKLL-HXPMCKFVSA-N -1 0 343.810 3.947 20 0 EHADRM CO[C@@H](CS[C@@H](Cc1ccc(C)cc1)C(=O)[O-])Cc1ccccc1 ZINC001599060898 999264259 /nfs/dbraw/zinc/26/42/59/999264259.db2.gz XPHCLLFBEXBNRV-MOPGFXCFSA-N -1 0 344.476 3.982 20 0 EHADRM C[C@@H]1CC[C@H](OC(=O)c2cc(C(=O)[O-])nn2-c2ccccc2)[C@@H](C)C1 ZINC001594329300 999265274 /nfs/dbraw/zinc/26/52/74/999265274.db2.gz WQADOMZQTZQLJE-IGCXYCKISA-N -1 0 342.395 3.552 20 0 EHADRM CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001599063892 999285374 /nfs/dbraw/zinc/28/53/74/999285374.db2.gz OCXGRTHJMFOZLW-ZBEGNZNMSA-N -1 0 347.798 3.544 20 0 EHADRM C[C@H]1CCC[C@@H](CC(=O)Nc2cccnc2SCCC(=O)[O-])C1 ZINC001594345567 999308104 /nfs/dbraw/zinc/30/81/04/999308104.db2.gz WBXJLGBXVNCFMI-QWHCGFSZSA-N -1 0 336.457 3.803 20 0 EHADRM C[C@@H]1CCC[C@H](CNC(=O)Cn2cc(C(=O)[O-])c3ccccc32)[C@H]1C ZINC001594346845 999314095 /nfs/dbraw/zinc/31/40/95/999314095.db2.gz SYBIVPNIYDTEFH-QLFBSQMISA-N -1 0 342.439 3.528 20 0 EHADRM COC1(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CCCCC1 ZINC001599069335 999320672 /nfs/dbraw/zinc/32/06/72/999320672.db2.gz UPZVGHBBNLIBDK-UHFFFAOYSA-N -1 0 333.409 3.887 20 0 EHADRM C[C@@H]1CCC[C@@H]1CC(=O)N[C@@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001594358144 999354942 /nfs/dbraw/zinc/35/49/42/999354942.db2.gz VIGGKMFOAUGKTI-DFHBCGBQSA-N -1 0 337.847 3.668 20 0 EHADRM C[C@H]1CCC[C@H]1CC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001594359815 999360524 /nfs/dbraw/zinc/36/05/24/999360524.db2.gz OJSKQKVWJHDLAV-UWVGGRQHSA-N -1 0 340.217 3.912 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1cc2c(cc1C(=O)[O-])OCCCO2 ZINC001594363974 999374540 /nfs/dbraw/zinc/37/45/40/999374540.db2.gz PRORXPPVYWHJNV-CHWSQXEVSA-N -1 0 347.411 3.701 20 0 EHADRM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001594369881 999393068 /nfs/dbraw/zinc/39/30/68/999393068.db2.gz BQTPQZLKUXVXIZ-ZANVPECISA-N -1 0 343.782 3.711 20 0 EHADRM C[C@H]1CCCC[C@H]1OCC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001594370526 999396764 /nfs/dbraw/zinc/39/67/64/999396764.db2.gz JNLXLSKWQCVPOJ-TVQRCGJNSA-N -1 0 343.782 3.711 20 0 EHADRM C[C@H]1CCCN(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)[C@H]1C ZINC001594377423 999422251 /nfs/dbraw/zinc/42/22/51/999422251.db2.gz CEQMQCADJHCYLP-IUCAKERBSA-N -1 0 328.771 3.830 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CCC[C@@H](C)CC1 ZINC001594378949 999428757 /nfs/dbraw/zinc/42/87/57/999428757.db2.gz RPXZDHQYDCGIFC-CYBMUJFWSA-N -1 0 334.416 3.826 20 0 EHADRM C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001594388098 999468867 /nfs/dbraw/zinc/46/88/67/999468867.db2.gz HNBKKGGZUMLUPC-YVEFUNNKSA-N -1 0 339.395 3.615 20 0 EHADRM C[C@H]1CCN(C(=O)C(c2ccccc2)c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC001594394212 999485624 /nfs/dbraw/zinc/48/56/24/999485624.db2.gz HYPDXZPBUSGSCH-MAUKXSAKSA-N -1 0 337.419 3.530 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cccc(CSCC(=O)[O-])c2)C[C@@H]1C ZINC001594405316 999517057 /nfs/dbraw/zinc/51/70/57/999517057.db2.gz KLYLTGWZLIPBEU-OLZOCXBDSA-N -1 0 336.457 3.514 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)C[C@H]1F ZINC001594406071 999520017 /nfs/dbraw/zinc/52/00/17/999520017.db2.gz RFPMNRDHILKQJL-GXSJLCMTSA-N -1 0 340.420 3.537 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cccc(C(=O)[O-])n2)[C@H]1c1cccc(F)c1 ZINC001594406102 999520205 /nfs/dbraw/zinc/52/02/05/999520205.db2.gz RVBXZMFTKIBMSO-BDJLRTHQSA-N -1 0 343.358 3.534 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cccc(CC(=O)[O-])n2)CC12CCCCC2 ZINC001594406167 999520675 /nfs/dbraw/zinc/52/06/75/999520675.db2.gz SMVMHMNTUNRWNV-CQSZACIVSA-N -1 0 345.443 3.533 20 0 EHADRM C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4cccnc4C(=O)[O-])cc3c2C1 ZINC001594441604 999627458 /nfs/dbraw/zinc/62/74/58/999627458.db2.gz FQDDCZWHPGRTCM-LLVKDONJSA-N -1 0 349.390 3.638 20 0 EHADRM C[C@@H]1CN(C(=O)CC2(CC(=O)[O-])CCCC2)c2ccccc2S1 ZINC001594466964 999692542 /nfs/dbraw/zinc/69/25/42/999692542.db2.gz VNCKVSJKAFOVCE-CYBMUJFWSA-N -1 0 333.453 3.939 20 0 EHADRM O=C(c1nn(-c2ccccc2)cc1[O-])N1CCC[C@H]1C1CCCCC1 ZINC000175548481 1016360588 /nfs/dbraw/zinc/36/05/88/1016360588.db2.gz SIJFXEZBURMIJF-KRWDZBQOSA-N -1 0 339.439 3.763 20 0 EHADRM C[C@H](NC(=O)[C@@]1(C(=O)[O-])CC=CCC1)c1cc2ccccc2s1 ZINC000653289536 1016378501 /nfs/dbraw/zinc/37/85/01/1016378501.db2.gz WFPFNXOBEBKXHV-KPZWWZAWSA-N -1 0 329.421 3.890 20 0 EHADRM O=C(c1ccc2ccccc2c1O)N1CCC[C@@H]1[C@H]1CCCCC1=O ZINC000177613808 1016398539 /nfs/dbraw/zinc/39/85/39/1016398539.db2.gz CGXAQTQUKJWDGW-SJLPKXTDSA-N -1 0 337.419 3.909 20 0 EHADRM CCCN1Cc2cccc(NC(=O)c3cc(=O)c4ccccc4[n-]3)c2C1 ZINC000340164411 1016543863 /nfs/dbraw/zinc/54/38/63/1016543863.db2.gz NXBKCGHWEZMHRA-UHFFFAOYSA-N -1 0 347.418 3.506 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)NCCCC2CCC2)CC1 ZINC000659414107 1016669741 /nfs/dbraw/zinc/66/97/41/1016669741.db2.gz SVHYZAHQQAKIDI-UHFFFAOYSA-N -1 0 344.455 3.854 20 0 EHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)c1cccc(Oc2nccs2)c1 ZINC000648341415 1016695427 /nfs/dbraw/zinc/69/54/27/1016695427.db2.gz AQRIJNVMTOEEKP-QGZVFWFLSA-N -1 0 348.424 3.555 20 0 EHADRM CC(C)c1cccc(O[C@H](C)C(=O)N2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000236802459 1016753205 /nfs/dbraw/zinc/75/32/05/1016753205.db2.gz JZBRBOFSKBZBDQ-WBVHZDCISA-N -1 0 347.455 3.823 20 0 EHADRM C[C@H](NC(=O)c1cc2ccccc2s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655583562 1016932987 /nfs/dbraw/zinc/93/29/87/1016932987.db2.gz JNGYYRWKVFNHFM-WCFLWFBJSA-N -1 0 331.437 3.767 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N(C)[C@@H](C)C2CCC2)s1 ZINC000471303132 1016971328 /nfs/dbraw/zinc/97/13/28/1016971328.db2.gz GIXFFXNQFVYLDH-NSHDSACASA-N -1 0 348.447 3.727 20 0 EHADRM Cc1ccc(SCCC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655585347 1016983030 /nfs/dbraw/zinc/98/30/30/1016983030.db2.gz WHVHHCHVRHOGQV-VNQPRFMTSA-N -1 0 349.496 3.729 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N[C@@H](c2cccnc2)C2CC2)s1 ZINC000340344220 1016986092 /nfs/dbraw/zinc/98/60/92/1016986092.db2.gz YXFDNQYGMGFTNA-CQSZACIVSA-N -1 0 345.472 3.531 20 0 EHADRM CCC(CC)(C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655584713 1016997119 /nfs/dbraw/zinc/99/71/19/1016997119.db2.gz NFXRKRRGMJUCRY-HYVNUMGLSA-N -1 0 345.483 3.996 20 0 EHADRM CCO[C@H](C)c1nc(CN(CCC(=O)[O-])Cc2ccccc2)cs1 ZINC000659790367 1017025388 /nfs/dbraw/zinc/02/53/88/1017025388.db2.gz PDLQHGNHAXENCE-CQSZACIVSA-N -1 0 348.468 3.718 20 0 EHADRM N=c1[n-]nc(-c2ccc(OCCc3ccc4ccccc4c3)cc2)o1 ZINC000461084481 1032255091 /nfs/dbraw/zinc/25/50/91/1032255091.db2.gz DSJWKTUIGFONCH-UHFFFAOYSA-N -1 0 331.375 3.924 20 0 EHADRM O=C(Nc1nc(-c2cccc(O)c2)cs1)c1cc(F)c([O-])c(F)c1 ZINC000184154922 1032260942 /nfs/dbraw/zinc/26/09/42/1032260942.db2.gz PBNJHVGOTKZIQI-UHFFFAOYSA-N -1 0 348.330 3.752 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cccc(C)c2)nn1-c1ccc(C)cc1 ZINC000538298948 1032281187 /nfs/dbraw/zinc/28/11/87/1032281187.db2.gz FDNFZJCLVAUJPN-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(F)c(C)c2)c1 ZINC000485099933 1032304444 /nfs/dbraw/zinc/30/44/44/1032304444.db2.gz MIVWPBOBSNPRCA-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)C[C@H]1CCC2(CCC2)CO1 ZINC000905007283 1032315379 /nfs/dbraw/zinc/31/53/79/1032315379.db2.gz UZBKBVATEHUTCH-OAHLLOKOSA-N -1 0 331.412 3.625 20 0 EHADRM Cc1ccc(CN=c2nc(Cc3ccc(F)cc3F)[n-]s2)s1 ZINC000461185081 1032316645 /nfs/dbraw/zinc/31/66/45/1032316645.db2.gz DRUGLNSUJMVUAR-UHFFFAOYSA-N -1 0 337.420 3.811 20 0 EHADRM Cc1cc(Cl)cnc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000461185738 1032316840 /nfs/dbraw/zinc/31/68/40/1032316840.db2.gz MKUVFQTVFUILFB-UHFFFAOYSA-N -1 0 336.844 3.723 20 0 EHADRM Fc1ccc(CN=c2nc(Cc3ccc(F)cc3F)[n-]s2)cc1 ZINC000461208580 1032317839 /nfs/dbraw/zinc/31/78/39/1032317839.db2.gz KHAKEESGWNBXFO-UHFFFAOYSA-N -1 0 335.354 3.580 20 0 EHADRM O=S(=O)([N-]c1cc2c(cn1)CCCC2)c1ccc(Cl)cc1F ZINC000461215052 1032335040 /nfs/dbraw/zinc/33/50/40/1032335040.db2.gz AYWBRRXKXPWSSM-UHFFFAOYSA-N -1 0 340.807 3.554 20 0 EHADRM Cc1ccc(C)c(C(=O)N[C@@H](C)COCC2CCCCC2)c1C(=O)[O-] ZINC000905129446 1032356891 /nfs/dbraw/zinc/35/68/91/1032356891.db2.gz GCVBNDMXNFIPKR-HNNXBMFYSA-N -1 0 347.455 3.717 20 0 EHADRM CC(C)(C)OCc1ccccc1NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000905131748 1032357484 /nfs/dbraw/zinc/35/74/84/1032357484.db2.gz UXGQYYQMTVUHDK-UHFFFAOYSA-N -1 0 333.428 3.975 20 0 EHADRM O=C([O-])[C@@H](CC(F)(F)F)NC(=O)c1ccc(C2CCCCC2)cc1 ZINC000262957962 1032362767 /nfs/dbraw/zinc/36/27/67/1032362767.db2.gz LTNNRRMKXZPDOF-CQSZACIVSA-N -1 0 343.345 3.870 20 0 EHADRM CC(C)C[C@H](C(=O)[O-])[S@@](=O)Cc1nc(-c2ccccc2)cs1 ZINC000584395313 1032374215 /nfs/dbraw/zinc/37/42/15/1032374215.db2.gz YTCPPIRJKDSCGO-PEBXRYMYSA-N -1 0 337.466 3.558 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)c2cc(C)n(C(CC)CC)n2)s1 ZINC000538456303 1032382504 /nfs/dbraw/zinc/38/25/04/1032382504.db2.gz QHOIBSQOEWIYGF-UHFFFAOYSA-N -1 0 349.504 3.811 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])c1 ZINC000579911955 1017099178 /nfs/dbraw/zinc/09/91/78/1017099178.db2.gz LYPHMYNMBDQVLU-SUMWQHHRSA-N -1 0 348.443 3.939 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1C ZINC000537196377 1032555011 /nfs/dbraw/zinc/55/50/11/1032555011.db2.gz LTPPACITIPAQCG-SNVBAGLBSA-N -1 0 341.864 3.925 20 0 EHADRM Cc1c(CN(C)C(=O)[C@H](C)S[C@H](C)C(=O)[O-])oc2c1cccc2C ZINC000602012170 1032581463 /nfs/dbraw/zinc/58/14/63/1032581463.db2.gz YNQPXHUHNWWJRK-QWHCGFSZSA-N -1 0 349.452 3.603 20 0 EHADRM CCCCOc1ccc(NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])c(C)c1 ZINC000601989514 1032583048 /nfs/dbraw/zinc/58/30/48/1032583048.db2.gz WGGNFRVJAAHZSO-STQMWFEESA-N -1 0 339.457 3.707 20 0 EHADRM C[C@@H](S[C@H](C)C(=O)NCc1ccc(-c2ccccc2)s1)C(=O)[O-] ZINC000601988961 1032583495 /nfs/dbraw/zinc/58/34/95/1032583495.db2.gz BOSLMQMYGRHDDZ-VXGBXAGGSA-N -1 0 349.477 3.626 20 0 EHADRM C[C@@H]1CCC[C@H](N(C)C(=O)c2cccc(Br)c2[O-])C1 ZINC000592832475 1032584485 /nfs/dbraw/zinc/58/44/85/1032584485.db2.gz DDUVAXVMYPGEDW-MNOVXSKESA-N -1 0 326.234 3.805 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])cc(C(F)(F)F)c1 ZINC000601994374 1032584514 /nfs/dbraw/zinc/58/45/14/1032584514.db2.gz VFIVTGHUHHCMMW-BDAKNGLRSA-N -1 0 335.347 3.547 20 0 EHADRM C[C@@H](S[C@H](C)C(=O)Nc1cccc2c1ccn2C(F)F)C(=O)[O-] ZINC000601993311 1032584894 /nfs/dbraw/zinc/58/48/94/1032584894.db2.gz NDLUJRJZVQJRGH-RKDXNWHRSA-N -1 0 342.367 3.570 20 0 EHADRM CC[C@H](NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000601999761 1032586397 /nfs/dbraw/zinc/58/63/97/1032586397.db2.gz XEYVCLPLFAFGQL-NRUUGDAUSA-N -1 0 329.849 3.502 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000606177444 1032587718 /nfs/dbraw/zinc/58/77/18/1032587718.db2.gz AJZZGQGOXLJXEV-LBPRGKRZSA-N -1 0 341.411 3.583 20 0 EHADRM CCC[C@@H](NC(=O)c1cccc(Br)c1[O-])c1ccccn1 ZINC000592873014 1032599344 /nfs/dbraw/zinc/59/93/44/1032599344.db2.gz VBZPPNRNQNTAKE-CQSZACIVSA-N -1 0 349.228 3.821 20 0 EHADRM O=C([O-])CCCCCNC(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000414629136 1017081588 /nfs/dbraw/zinc/08/15/88/1017081588.db2.gz QGUYONVKDMDNBL-SFHVURJKSA-N -1 0 344.455 3.958 20 0 EHADRM CC(C)(C)[C@H](CC1CCCCC1)NC(=O)N1CCC(C(=O)[O-])CC1 ZINC000414628701 1017081735 /nfs/dbraw/zinc/08/17/35/1017081735.db2.gz NCUUIQJXLYWMNR-INIZCTEOSA-N -1 0 338.492 3.878 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1CC[C@H](C2CCC2)CC1)c1cccs1 ZINC000659120508 1017122654 /nfs/dbraw/zinc/12/26/54/1017122654.db2.gz NHFKJUOYBMUJDH-KKUMJFAQSA-N -1 0 335.469 3.987 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)NC1(c2ccc(Cl)cc2)CCC1 ZINC000659120647 1017136894 /nfs/dbraw/zinc/13/68/94/1017136894.db2.gz SETBRZFJQAHQEB-UHFFFAOYSA-N -1 0 333.771 3.749 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N(C)[C@H](C)C(C)C)s1 ZINC000471361432 1017185038 /nfs/dbraw/zinc/18/50/38/1017185038.db2.gz DTALCMPIADJJBU-LLVKDONJSA-N -1 0 336.436 3.583 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)N[C@@H](C)CCCCC(=O)[O-])cc1 ZINC000547888975 1017198195 /nfs/dbraw/zinc/19/81/95/1017198195.db2.gz NPEYFKDWVCJUIA-KBPBESRZSA-N -1 0 341.473 3.512 20 0 EHADRM CCN(Cc1ccccc1Cl)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000183374714 1017308740 /nfs/dbraw/zinc/30/87/40/1017308740.db2.gz NVLWKFXSIPWYDN-UHFFFAOYSA-N -1 0 325.742 3.986 20 0 EHADRM O=C(OCCCOC(F)(F)F)c1cccc2[nH]c(C(F)F)nc21 ZINC000924085567 1017367722 /nfs/dbraw/zinc/36/77/22/1017367722.db2.gz KFYMPTXXQMFGKK-UHFFFAOYSA-N -1 0 338.232 3.584 20 0 EHADRM Cc1cnc(C(=O)Nc2cc(-c3cncc(F)c3)ccc2C)c([O-])c1 ZINC000549148455 1017375685 /nfs/dbraw/zinc/37/56/85/1017375685.db2.gz XWATVGGWOYGCTN-UHFFFAOYSA-N -1 0 337.354 3.857 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)N=c2[n-]nc(C3CC3)s2)c1C ZINC000584448527 1032701349 /nfs/dbraw/zinc/70/13/49/1032701349.db2.gz XQKGNKYWBLAVJJ-HNNXBMFYSA-N -1 0 342.468 3.823 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)[C@H]3CC[C@@H](C)C3)n2)cc1 ZINC000430446253 1017519652 /nfs/dbraw/zinc/51/96/52/1017519652.db2.gz CHLXGIDCGBIENI-PBHICJAKSA-N -1 0 341.455 3.962 20 0 EHADRM CCCCC[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C)cc1)C(C)C ZINC000756215429 1017567538 /nfs/dbraw/zinc/56/75/38/1017567538.db2.gz BASGPAGMHQZZNA-MRXNPFEDSA-N -1 0 325.474 3.652 20 0 EHADRM Cc1cc([N-]C(=O)c2nc(C(C)(C)c3ccccc3Cl)no2)no1 ZINC000683603580 1017630437 /nfs/dbraw/zinc/63/04/37/1017630437.db2.gz GMAIRRDLRPEEIZ-UHFFFAOYSA-N -1 0 346.774 3.598 20 0 EHADRM Cc1ccc(CC(=O)NOCc2coc(-c3cccc(F)c3)n2)cc1 ZINC000177581296 1017694286 /nfs/dbraw/zinc/69/42/86/1017694286.db2.gz YMYSMKIFNXGDRF-UHFFFAOYSA-N -1 0 340.354 3.580 20 0 EHADRM C/C=C/C[C@@H](NC(=O)Nc1cc(Cl)c(OC)c(Cl)c1)C(=O)[O-] ZINC000574895263 1032717984 /nfs/dbraw/zinc/71/79/84/1032717984.db2.gz JCQXGNOYXQLVSB-PGLGOXFNSA-N -1 0 347.198 3.543 20 0 EHADRM CCC(CC)(CC(=O)N[C@@H]1CCSc2ccc(F)cc21)C(=O)[O-] ZINC000320026496 1017730213 /nfs/dbraw/zinc/73/02/13/1017730213.db2.gz NPKVSBWEOFLCEZ-CYBMUJFWSA-N -1 0 339.432 3.760 20 0 EHADRM O=C(NC[C@@H]1CCc2ccccc2C1)c1cc(F)c([O-])c(Cl)c1 ZINC000683621864 1017738098 /nfs/dbraw/zinc/73/80/98/1017738098.db2.gz JLEIHRKXLIAXRO-LLVKDONJSA-N -1 0 333.790 3.720 20 0 EHADRM CCc1n[n-]c(=NC(=O)N2CC[C@H](c3ccccc3)[C@H](CC)C2)s1 ZINC000472762621 1017763282 /nfs/dbraw/zinc/76/32/82/1017763282.db2.gz MAVYFNWBASCHJN-HIFRSBDPSA-N -1 0 344.484 3.570 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@@]2(c3ccccc3)CC2(C)C)cc1C(=O)[O-] ZINC000659129982 1017816630 /nfs/dbraw/zinc/81/66/30/1017816630.db2.gz GIYLCIWBRYZPTM-FQEVSTJZSA-N -1 0 341.407 3.613 20 0 EHADRM CC(C)CN(C(=O)NC[C@@H](C)C(=O)[O-])[C@@H](C)c1ccccc1Cl ZINC000655881936 1017852030 /nfs/dbraw/zinc/85/20/30/1017852030.db2.gz RYTWCLNOVVHZIH-OLZOCXBDSA-N -1 0 340.851 3.789 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C1CCC(C2CC2)CC1 ZINC000659131640 1017887423 /nfs/dbraw/zinc/88/74/23/1017887423.db2.gz SAQNSIMVWJCZMU-UHFFFAOYSA-N -1 0 331.412 3.613 20 0 EHADRM COc1cc(Nc2ccc(C(=O)[O-])c(C)c2)c(Br)cn1 ZINC001211649949 1017887567 /nfs/dbraw/zinc/88/75/67/1017887567.db2.gz ICBONSBUUWLUAC-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM CC(C)CC[C@H]1CCCN1C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655903157 1017890166 /nfs/dbraw/zinc/89/01/66/1017890166.db2.gz YXPJFCVUVYDQJA-LVQVYYBASA-N -1 0 338.492 3.732 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1CCC(F)(F)F ZINC000089099205 1017942724 /nfs/dbraw/zinc/94/27/24/1017942724.db2.gz LUSNQJTXBTUNPL-STQMWFEESA-N -1 0 341.329 3.787 20 0 EHADRM Cc1cc(Nc2nc(Br)cnc2Cl)ccc1C(=O)[O-] ZINC001211650024 1017945581 /nfs/dbraw/zinc/94/55/81/1017945581.db2.gz LTRMZPFQRIADCJ-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM CC[C@H](c1ccncc1)N(C)C(=O)c1cccc(Br)c1[O-] ZINC000606535471 1032740857 /nfs/dbraw/zinc/74/08/57/1032740857.db2.gz IJFWPLLBJMEFKJ-CQSZACIVSA-N -1 0 349.228 3.773 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCOCC12CCC2 ZINC000093097528 1018247206 /nfs/dbraw/zinc/24/72/06/1018247206.db2.gz IZFATKPEXCAPMY-UHFFFAOYSA-N -1 0 331.799 3.594 20 0 EHADRM CC(C)(C(=O)NCC1(C(=O)[O-])CCCCC1)c1ccccc1Cl ZINC000431849908 1018263236 /nfs/dbraw/zinc/26/32/36/1018263236.db2.gz GRBOKESQTGHIQH-UHFFFAOYSA-N -1 0 337.847 3.769 20 0 EHADRM C[C@H]1c2c(F)cccc2CCN1C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000606571740 1032754318 /nfs/dbraw/zinc/75/43/18/1032754318.db2.gz SWMVSFSZPLOQMZ-JTQLQIEISA-N -1 0 348.447 3.548 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N(CC)C2CCC2)s1)c1ccccc1 ZINC000606574332 1032754771 /nfs/dbraw/zinc/75/47/71/1032754771.db2.gz NXAZYJJZHYHDDN-OAHLLOKOSA-N -1 0 344.484 3.908 20 0 EHADRM CC[C@H](c1n[n-]c(=NC(=O)N(CC)C2CCC2)s1)c1ccccc1 ZINC000606574331 1032755427 /nfs/dbraw/zinc/75/54/27/1032755427.db2.gz NXAZYJJZHYHDDN-HNNXBMFYSA-N -1 0 344.484 3.908 20 0 EHADRM Cc1sc(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)nc1-c1ccccc1 ZINC000653297175 1018344596 /nfs/dbraw/zinc/34/45/96/1018344596.db2.gz KEEUSABEIDLNHS-SFHVURJKSA-N -1 0 342.420 3.868 20 0 EHADRM CCCCc1cc([N-]S(=O)(=O)c2cccc(Cl)c2C)n[nH]1 ZINC000471518096 1018479302 /nfs/dbraw/zinc/47/93/02/1018479302.db2.gz MCZPIDDAAWITTF-UHFFFAOYSA-N -1 0 327.837 3.515 20 0 EHADRM C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cccc(F)c1[O-] ZINC001266564722 1018522745 /nfs/dbraw/zinc/52/27/45/1018522745.db2.gz ZAVBHEIJZWQENK-SNVBAGLBSA-N -1 0 341.304 3.911 20 0 EHADRM Cc1nc2ccc([N-]S(=O)(=O)c3cc(C)ccc3Cl)cc2o1 ZINC000123933041 1018572871 /nfs/dbraw/zinc/57/28/71/1018572871.db2.gz FNXURZNXYJEIFC-UHFFFAOYSA-N -1 0 336.800 3.899 20 0 EHADRM CCSc1n[n-]c(=NC(=O)Nc2cc(SC)ccc2C)s1 ZINC000580109480 1018649223 /nfs/dbraw/zinc/64/92/23/1018649223.db2.gz AWEOQIGLPHXIIH-UHFFFAOYSA-N -1 0 340.499 3.746 20 0 EHADRM Fc1ccc(C2=CC[C@@H](N=c3[n-]c(C4CCOCC4)no3)CC2)cc1 ZINC000564425609 1018652969 /nfs/dbraw/zinc/65/29/69/1018652969.db2.gz HPRZSHFXRLIMFZ-QGZVFWFLSA-N -1 0 343.402 3.573 20 0 EHADRM Cc1ccc(-c2csc3[n-]c(-c4ncccn4)nc(=O)c23)c(C)c1 ZINC000054753218 1032778222 /nfs/dbraw/zinc/77/82/22/1032778222.db2.gz VIGWUAQXDDFTHZ-UHFFFAOYSA-N -1 0 334.404 3.725 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000319221271 1018742943 /nfs/dbraw/zinc/74/29/43/1018742943.db2.gz PVOBDDLCXCZLGV-PLMOITTCSA-N -1 0 343.210 3.710 20 0 EHADRM CC(C)(CCNC(=O)CCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000261746772 1018847698 /nfs/dbraw/zinc/84/76/98/1018847698.db2.gz STPUJNWFIBEECU-UHFFFAOYSA-N -1 0 332.227 3.543 20 0 EHADRM CN(C(=O)c1cc(=O)n(C)[n-]1)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000614392796 1018950445 /nfs/dbraw/zinc/95/04/45/1018950445.db2.gz PAAPWLHGPDCMAJ-QGZVFWFLSA-N -1 0 347.846 3.783 20 0 EHADRM O=C(NCCCSc1ccc(F)cc1)c1s[n-]c(=O)c1Cl ZINC000580299007 1018952731 /nfs/dbraw/zinc/95/27/31/1018952731.db2.gz SUSOUSYXBQBPBS-UHFFFAOYSA-N -1 0 346.836 3.553 20 0 EHADRM CC(C)C[C@H](C(=O)[O-])N(C)Cc1csc(-c2ccc(F)cc2)n1 ZINC000580319334 1019028253 /nfs/dbraw/zinc/02/82/53/1019028253.db2.gz HLMDBVOCXBPRCS-OAHLLOKOSA-N -1 0 336.432 3.880 20 0 EHADRM Cc1cnc([N-]S(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)nc1 ZINC000758424748 1019174637 /nfs/dbraw/zinc/17/46/37/1019174637.db2.gz GXPNDDCNGPVJFU-UHFFFAOYSA-N -1 0 333.457 3.500 20 0 EHADRM O=C([O-])C1(NCc2ccc(-c3ccc(C(F)(F)F)cc3)o2)CC1 ZINC000340678023 1019183753 /nfs/dbraw/zinc/18/37/53/1019183753.db2.gz GVFUEWFPHQWIBZ-UHFFFAOYSA-N -1 0 325.286 3.672 20 0 EHADRM O=[P@@]([O-])(O)C1(Nc2cc(Cl)ccc2F)Cc2ccccc2C1 ZINC001167935950 1019210617 /nfs/dbraw/zinc/21/06/17/1019210617.db2.gz USUBMPBSJZNZTM-UHFFFAOYSA-N -1 0 341.706 3.564 20 0 EHADRM CCC(CC)(NC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1)C(=O)[O-] ZINC000580391343 1019261713 /nfs/dbraw/zinc/26/17/13/1019261713.db2.gz JPCOTXHSPWKNRQ-UHFFFAOYSA-N -1 0 347.415 3.890 20 0 EHADRM COCCCOc1cccc(CNc2cccc(C(=O)[O-])c2C)c1 ZINC000340683312 1019277853 /nfs/dbraw/zinc/27/78/53/1019277853.db2.gz ULZBKBAWRFUREO-UHFFFAOYSA-N -1 0 329.396 3.721 20 0 EHADRM Nc1ccc(F)c(Nc2ccc3ccccc3c2S(=O)(=O)[O-])c1 ZINC001211837344 1019286954 /nfs/dbraw/zinc/28/69/54/1019286954.db2.gz JAJJNJHVKPAZIX-UHFFFAOYSA-N -1 0 332.356 3.551 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])c(OCc2ccccc2)c1 ZINC000262148726 1019548856 /nfs/dbraw/zinc/54/88/56/1019548856.db2.gz PCUYXAKNDOCBNA-JKSUJKDBSA-N -1 0 339.391 3.623 20 0 EHADRM O=C(CC1CCCCCC1)[N-]S(=O)(=O)c1sccc1Cl ZINC000408502593 1019680573 /nfs/dbraw/zinc/68/05/73/1019680573.db2.gz SRWBDTIHBBSXLR-UHFFFAOYSA-N -1 0 335.878 3.567 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)c1F ZINC000513451878 1019701798 /nfs/dbraw/zinc/70/17/98/1019701798.db2.gz JXUDBMHAMCEWBZ-UHFFFAOYSA-N -1 0 349.427 3.862 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)c1F ZINC000513452894 1019704447 /nfs/dbraw/zinc/70/44/47/1019704447.db2.gz PIHAMYRGMHNRDG-UHFFFAOYSA-N -1 0 337.416 3.860 20 0 EHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)c1cc(F)c(Cl)cc1Cl ZINC000262837212 1019743271 /nfs/dbraw/zinc/74/32/71/1019743271.db2.gz CSTVQXJIVUAQPT-CQSZACIVSA-N -1 0 336.190 3.752 20 0 EHADRM CC(C)(CC(=O)N[C@@H](CCC(=O)[O-])c1ccccc1)C(F)(F)F ZINC000262935351 1019772781 /nfs/dbraw/zinc/77/27/81/1019772781.db2.gz BTCSEAQTMVCTIP-LBPRGKRZSA-N -1 0 331.334 3.687 20 0 EHADRM CCC(CC)n1nc(C(=O)Nc2ccc(C(=O)[O-])c(OC)c2)cc1C ZINC000262959992 1019776327 /nfs/dbraw/zinc/77/63/27/1019776327.db2.gz NSUISJKHUUXKFK-UHFFFAOYSA-N -1 0 345.399 3.512 20 0 EHADRM C[C@H](CC(=O)N[C@H](C)c1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000262985552 1019782684 /nfs/dbraw/zinc/78/26/84/1019782684.db2.gz JVRGSXHGWTWCOI-HUUCEWRRSA-N -1 0 341.407 3.521 20 0 EHADRM CC(C)[C@H](C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000263014458 1019789712 /nfs/dbraw/zinc/78/97/12/1019789712.db2.gz XMBXDOFJOYPCTK-ROUUACIJSA-N -1 0 343.398 3.550 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(COC(C)C)cc1 ZINC000263069212 1019806816 /nfs/dbraw/zinc/80/68/16/1019806816.db2.gz YBPWBRCGXAMBNS-UHFFFAOYSA-N -1 0 343.379 3.571 20 0 EHADRM Cc1ccc(-c2cccnc2)cc1NC(=O)NC(C)(C)CCC(=O)[O-] ZINC000263142725 1019827888 /nfs/dbraw/zinc/82/78/88/1019827888.db2.gz ZTMCOLRRLGOMQX-UHFFFAOYSA-N -1 0 341.411 3.822 20 0 EHADRM CC[C@@H](CC(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccc(OC)cc1 ZINC000263287897 1019861827 /nfs/dbraw/zinc/86/18/27/1019861827.db2.gz QBSWGJGLIJIAIF-HNNXBMFYSA-N -1 0 341.407 3.845 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N2CCCCC[C@@H]2c2ccco2)cc1 ZINC000263314170 1019868707 /nfs/dbraw/zinc/86/87/07/1019868707.db2.gz HEGFZXGESLADBB-MRXNPFEDSA-N -1 0 327.380 3.664 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC000263437789 1019905019 /nfs/dbraw/zinc/90/50/19/1019905019.db2.gz OZSDWXXZODACTO-MXWWQKGMSA-N -1 0 331.456 3.748 20 0 EHADRM O=C([N-]OCc1ccc(C(F)(F)F)cc1)C1(c2ccccc2)CC1 ZINC000160627404 1019987950 /nfs/dbraw/zinc/98/79/50/1019987950.db2.gz NDRYIPOFPZOODG-UHFFFAOYSA-N -1 0 335.325 3.985 20 0 EHADRM CCN(CC(=O)[O-])C(=O)Nc1cccc(CO[C@@H]2CCC[C@H](C)C2)c1 ZINC000580792989 1020018176 /nfs/dbraw/zinc/01/81/76/1020018176.db2.gz NHBLCTHQVDTCOU-WMLDXEAASA-N -1 0 348.443 3.720 20 0 EHADRM CCOc1cc(/C=C\c2ncc(C(=O)[O-])c(C(C)C)n2)ccc1O ZINC000255893430 1020230382 /nfs/dbraw/zinc/23/03/82/1020230382.db2.gz VIUICVLLTVSCSX-VURMDHGXSA-N -1 0 328.368 3.573 20 0 EHADRM O=C([O-])c1cc2ccc(-c3ccccc3OC[C@H]3CCOC3)cc2[nH]1 ZINC000581083091 1020411756 /nfs/dbraw/zinc/41/17/56/1020411756.db2.gz PHURFDQQKPKCQQ-ZDUSSCGKSA-N -1 0 337.375 3.948 20 0 EHADRM O=S(=O)([N-]c1nccs1)c1ccc(SC(F)(F)F)cc1 ZINC000064962210 1020457626 /nfs/dbraw/zinc/45/76/26/1020457626.db2.gz ZTOMMEWCTWWMKQ-UHFFFAOYSA-N -1 0 340.373 3.556 20 0 EHADRM O=C(CCCc1ccc(O)c(F)c1)N1CCC[C@@H]1[C@@H]1CCCCC1=O ZINC000345770612 1020501558 /nfs/dbraw/zinc/50/15/58/1020501558.db2.gz HXNIFRCOIMPSQP-DOTOQJQBSA-N -1 0 347.430 3.604 20 0 EHADRM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1(C(=O)[O-])CCC1 ZINC000581191791 1020510157 /nfs/dbraw/zinc/51/01/57/1020510157.db2.gz GBBLJWXDXQFHDZ-UHFFFAOYSA-N -1 0 330.211 3.597 20 0 EHADRM O=C([O-])c1sc2ccsc2c1CNC(=O)[C@H]1CCC[C@H](F)C1 ZINC000581246771 1020581751 /nfs/dbraw/zinc/58/17/51/1020581751.db2.gz LFTVMGMCCQNOKZ-IUCAKERBSA-N -1 0 341.429 3.806 20 0 EHADRM COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)Nc2ccc(C)c(C)c2)c1 ZINC000656474743 1020689374 /nfs/dbraw/zinc/68/93/74/1020689374.db2.gz IFGKDBUIIHSQOS-KRWDZBQOSA-N -1 0 342.395 3.602 20 0 EHADRM CCN(C)C(=O)N[C@@H](c1cc(Cl)cc(Cl)c1)C(C)(C)C(=O)[O-] ZINC000656528154 1020838717 /nfs/dbraw/zinc/83/87/17/1020838717.db2.gz VZGSOYFACFVGDN-LBPRGKRZSA-N -1 0 347.242 3.807 20 0 EHADRM Cc1nc(C(=O)[O-])c(-c2ccc(OC[C@H]3CCCCO3)cc2)s1 ZINC000581439874 1020918817 /nfs/dbraw/zinc/91/88/17/1020918817.db2.gz MEPIKCDQWODUHW-CQSZACIVSA-N -1 0 333.409 3.765 20 0 EHADRM COc1cc(C)c(C)cc1NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000656604305 1020990965 /nfs/dbraw/zinc/99/09/65/1020990965.db2.gz BGWMZJDGFGCLJD-UHFFFAOYSA-N -1 0 342.395 3.973 20 0 EHADRM CO[C@H](CS(=O)(=O)[N-]c1cccc2cc[nH]c21)C1CCCCC1 ZINC000656628094 1021059441 /nfs/dbraw/zinc/05/94/41/1021059441.db2.gz KEGPZAOAKVIAIP-MRXNPFEDSA-N -1 0 336.457 3.505 20 0 EHADRM CCc1ncsc1[N-]S(=O)(=O)c1cccc(O[C@@H](C)CC)c1 ZINC000656625723 1021061067 /nfs/dbraw/zinc/06/10/67/1021061067.db2.gz IFLZWDJUNAMDLQ-NSHDSACASA-N -1 0 340.470 3.684 20 0 EHADRM CCn1ccc([N-]S(=O)(=O)c2c(C)sc3c2cccc3C)n1 ZINC000656634998 1021064744 /nfs/dbraw/zinc/06/47/44/1021064744.db2.gz LIISPRXJPLLMJQ-UHFFFAOYSA-N -1 0 335.454 3.535 20 0 EHADRM COC(=O)CCN(C(=O)c1cc(Cl)c2ccccc2c1[O-])C(C)C ZINC000094136173 1032952291 /nfs/dbraw/zinc/95/22/91/1032952291.db2.gz VMTKPCHRDLGIIR-UHFFFAOYSA-N -1 0 349.814 3.613 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000439124310 1021167437 /nfs/dbraw/zinc/16/74/37/1021167437.db2.gz OEYSVWNBPHCUPA-OLZOCXBDSA-N -1 0 341.461 3.739 20 0 EHADRM CC[C@H](C)n1nc(C(=O)Nc2cc(Cl)c([O-])cc2F)cc1C ZINC000436769270 1021219709 /nfs/dbraw/zinc/21/97/09/1021219709.db2.gz HGZFCNCCQMAEPW-QMMMGPOBSA-N -1 0 325.771 3.913 20 0 EHADRM Cn1ncc(NC(=O)c2ccc(Cl)cc2[O-])c1-c1ccccc1 ZINC000436805437 1021251724 /nfs/dbraw/zinc/25/17/24/1021251724.db2.gz CZVAZRUOHHUBIQ-UHFFFAOYSA-N -1 0 327.771 3.698 20 0 EHADRM COCC[C@H]1CCCCN(C(=O)c2c([O-])cc(Cl)cc2Cl)C1 ZINC000436821404 1021272937 /nfs/dbraw/zinc/27/29/37/1021272937.db2.gz WAVXKSLPSLLJOK-LLVKDONJSA-N -1 0 346.254 3.978 20 0 EHADRM O=C(NCC[C@H]1CCOC1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436838721 1021283146 /nfs/dbraw/zinc/28/31/46/1021283146.db2.gz NRNVAPJPNSHBFL-ZDUSSCGKSA-N -1 0 345.826 3.869 20 0 EHADRM Cc1c2ccc(NC(=O)c3cc(F)c([O-])c(Cl)c3)cc2nn1C ZINC000436840533 1021285396 /nfs/dbraw/zinc/28/53/96/1021285396.db2.gz XGFDYUSENOKPEV-UHFFFAOYSA-N -1 0 333.750 3.632 20 0 EHADRM COc1cc(OC)c(NC(=O)c2cc(F)c([O-])c(Cl)c2)cc1F ZINC000436860195 1021298899 /nfs/dbraw/zinc/29/88/99/1021298899.db2.gz VTYUBUYBSPQFAT-UHFFFAOYSA-N -1 0 343.713 3.593 20 0 EHADRM O=C(NCCCc1c[nH]c2ccccc12)c1cc(Cl)ccc1O ZINC000436861981 1021300196 /nfs/dbraw/zinc/30/01/96/1021300196.db2.gz WTXOOQTUFSLEAJ-UHFFFAOYSA-N -1 0 328.799 3.890 20 0 EHADRM COc1ccc(/C=C\c2nc3c(cccc3C(=O)[O-])o2)c(OC)c1 ZINC000439273683 1021309802 /nfs/dbraw/zinc/30/98/02/1021309802.db2.gz KUBXLCOUYYGHNQ-CLFYSBASSA-N -1 0 325.320 3.714 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2c(C)onc2-c2ccccc2)c1 ZINC000436869895 1021311814 /nfs/dbraw/zinc/31/18/14/1021311814.db2.gz LTIHSFINOVPNRU-UHFFFAOYSA-N -1 0 336.347 3.811 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2ccc(N3CCCCC3)cc2)c1 ZINC000436875310 1021316270 /nfs/dbraw/zinc/31/62/70/1021316270.db2.gz XLVRFGDABZZLHS-UHFFFAOYSA-N -1 0 338.407 3.837 20 0 EHADRM CCc1ccc(-c2nc(-c3cccc(-n4ccnc4)c3)no2)c(O)c1 ZINC000436857437 1021320825 /nfs/dbraw/zinc/32/08/25/1021320825.db2.gz CQQUEGFNNXRIRD-UHFFFAOYSA-N -1 0 332.363 3.857 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CSc2ccc(F)c(F)c2)c1 ZINC000436879929 1021329554 /nfs/dbraw/zinc/32/95/54/1021329554.db2.gz YQUFHAOOHAUAQP-UHFFFAOYSA-N -1 0 337.347 3.604 20 0 EHADRM CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)c1 ZINC000436881996 1021332533 /nfs/dbraw/zinc/33/25/33/1021332533.db2.gz WKJVXAZSKKXSJP-UHFFFAOYSA-N -1 0 347.436 3.629 20 0 EHADRM CSCc1cccnc1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000436887826 1021341554 /nfs/dbraw/zinc/34/15/54/1021341554.db2.gz PWMVRLUDDHXFKA-UHFFFAOYSA-N -1 0 326.780 3.695 20 0 EHADRM CN(C)Cc1ccc(NC(=O)c2cc(F)c([O-])c(F)c2)cc1Cl ZINC000436911465 1021359143 /nfs/dbraw/zinc/35/91/43/1021359143.db2.gz QSFHDACEKSBNCV-UHFFFAOYSA-N -1 0 340.757 3.638 20 0 EHADRM CN(C(=O)c1cc(F)cc(Br)c1[O-])C(C1CC1)C1CC1 ZINC000436895616 1021361739 /nfs/dbraw/zinc/36/17/39/1021361739.db2.gz XYDHPLJQJMCQOW-UHFFFAOYSA-N -1 0 342.208 3.554 20 0 EHADRM O=C(c1cc(F)cc(Br)c1[O-])N1CCC[C@@H](C2CC2)C1 ZINC000436919113 1021374635 /nfs/dbraw/zinc/37/46/35/1021374635.db2.gz AZEHVCPJVAVFGE-SNVBAGLBSA-N -1 0 342.208 3.556 20 0 EHADRM CCOC(=O)c1cnc(/C=C/c2sccc2Cl)c(C(=O)[O-])c1 ZINC000516389124 1021380208 /nfs/dbraw/zinc/38/02/08/1021380208.db2.gz WDRJHBQPCMRALC-ONEGZZNKSA-N -1 0 337.784 3.842 20 0 EHADRM Cc1cccc(C)c1[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000506555142 1021385734 /nfs/dbraw/zinc/38/57/34/1021385734.db2.gz MBYFQPYVAGTTIR-UHFFFAOYSA-N -1 0 333.306 3.661 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cnc3c(F)ccc(F)c3c2)c1 ZINC000436933116 1021394922 /nfs/dbraw/zinc/39/49/22/1021394922.db2.gz FWETYUNLEYOJTO-UHFFFAOYSA-N -1 0 342.301 3.674 20 0 EHADRM [O-]c1c(-c2nc(Cc3ccon3)no2)cc(Cl)c2ccccc12 ZINC000436934019 1021397530 /nfs/dbraw/zinc/39/75/30/1021397530.db2.gz JRBKCNKEYVYNEU-UHFFFAOYSA-N -1 0 327.727 3.828 20 0 EHADRM Cc1ccc(Cc2nnc(NC(=O)c3c([O-])cccc3F)s2)cc1 ZINC000436977724 1021435033 /nfs/dbraw/zinc/43/50/33/1021435033.db2.gz FJOMVABVFDIADH-UHFFFAOYSA-N -1 0 343.383 3.534 20 0 EHADRM O=C(Nc1nnc(-c2cccc(Cl)c2)s1)c1c([O-])cccc1F ZINC000436988927 1021444433 /nfs/dbraw/zinc/44/44/33/1021444433.db2.gz QMJKDUPSPFDOKT-UHFFFAOYSA-N -1 0 349.774 3.956 20 0 EHADRM COc1cccc2c1CCCN2C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436993094 1021449241 /nfs/dbraw/zinc/44/92/41/1021449241.db2.gz YHULXRLIAYTTMU-UHFFFAOYSA-N -1 0 335.762 3.786 20 0 EHADRM COC(=O)c1sc2ccncc2c1Nc1ccc(C(=O)[O-])cc1C ZINC001211621077 1032980867 /nfs/dbraw/zinc/98/08/67/1032980867.db2.gz VQYNWIFVXIRHQS-UHFFFAOYSA-N -1 0 342.376 3.833 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2sc(CC3CC3)nc2C)c1 ZINC000436985478 1021457673 /nfs/dbraw/zinc/45/76/73/1021457673.db2.gz CMUWNVBEGMAKKE-UHFFFAOYSA-N -1 0 330.409 3.565 20 0 EHADRM CO[C@]1(C)CCCN(C(=O)c2cc(Cc3ccccc3)ccc2O)C1 ZINC000437004764 1021461119 /nfs/dbraw/zinc/46/11/19/1021461119.db2.gz WZEPHJUTURXNME-OAQYLSRUSA-N -1 0 339.435 3.624 20 0 EHADRM CCCCCOc1ccc(C(=O)N2C[C@H]3CCC[C@@]3(C(=O)[O-])C2)cc1 ZINC000341343627 1021473589 /nfs/dbraw/zinc/47/35/89/1021473589.db2.gz AYHQPFUHRHIKJV-OXQOHEQNSA-N -1 0 345.439 3.583 20 0 EHADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)c1ccccc1Cc1ccccc1)C2 ZINC000341341075 1021478488 /nfs/dbraw/zinc/47/84/88/1021478488.db2.gz AYOIIMSRHZKPGB-PGRDOPGGSA-N -1 0 349.430 3.604 20 0 EHADRM C[C@@H](NC(=O)[C@H](C)C(=O)[O-])c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC000656851918 1021484831 /nfs/dbraw/zinc/48/48/31/1021484831.db2.gz RZIMCUPIVXZOQF-RRFJBIMHSA-N -1 0 341.407 3.725 20 0 EHADRM CCc1cccc(CC)c1S(=O)(=O)[N-]c1cccc(Cl)c1O ZINC000607102443 1032985187 /nfs/dbraw/zinc/98/51/87/1032985187.db2.gz YDFOOAZOKVODCJ-UHFFFAOYSA-N -1 0 339.844 3.971 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])NC(=O)CC2(C)CCCCC2)c1 ZINC000516585487 1021571696 /nfs/dbraw/zinc/57/16/96/1021571696.db2.gz SRXRPFRJTGPOLK-MRXNPFEDSA-N -1 0 333.428 3.688 20 0 EHADRM CCCCS(=O)(=O)[N-]C(=O)c1oc2ccccc2c1CSC ZINC000078777815 1021604874 /nfs/dbraw/zinc/60/48/74/1021604874.db2.gz HDZYCGUHKDNFCD-UHFFFAOYSA-N -1 0 341.454 3.730 20 0 EHADRM CCCCCc1nnc([N-]S(=O)(=O)c2ccc(C)c(F)c2)s1 ZINC000437170174 1021608987 /nfs/dbraw/zinc/60/89/87/1021608987.db2.gz WMMPHBFIPNKXPO-UHFFFAOYSA-N -1 0 343.449 3.519 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)CCCc1ccc(SC)cc1 ZINC000516653739 1021631262 /nfs/dbraw/zinc/63/12/62/1021631262.db2.gz SSRICMCGZDFFQV-UHFFFAOYSA-N -1 0 337.485 3.881 20 0 EHADRM CCCOc1ccc(NC(=O)NCCCCC(=O)[O-])cc1Cl ZINC000669496636 1032992260 /nfs/dbraw/zinc/99/22/60/1032992260.db2.gz TWGCBEMYOYFPTR-UHFFFAOYSA-N -1 0 328.796 3.505 20 0 EHADRM CC1(C)CC[C@H](CNC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c2ccccc21 ZINC000439714348 1021657511 /nfs/dbraw/zinc/65/75/11/1021657511.db2.gz BZQYCOBSPOTXIW-HRCADAONSA-N -1 0 343.467 3.849 20 0 EHADRM COc1ccc([C@@H](CCC(=O)[O-])[NH2+]Cc2ccc(F)cc2F)cc1 ZINC000516701107 1021669623 /nfs/dbraw/zinc/66/96/23/1021669623.db2.gz RKGKNQOUFLUPCJ-QGZVFWFLSA-N -1 0 335.350 3.669 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)N[C@H](C)c1ccc(OC(C)C)cc1)C1CC1 ZINC000519803076 1021692923 /nfs/dbraw/zinc/69/29/23/1021692923.db2.gz CTPYMYNVNDKPRR-DYVFJYSZSA-N -1 0 348.443 3.572 20 0 EHADRM CCCc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC000548210702 1021718480 /nfs/dbraw/zinc/71/84/80/1021718480.db2.gz YMHQBFFFPCGWPL-UHFFFAOYSA-N -1 0 347.436 3.755 20 0 EHADRM O=S(=O)([N-][C@H]1CCC[C@@H]1c1ccccc1)c1c(F)cccc1F ZINC000518967369 1021724291 /nfs/dbraw/zinc/72/42/91/1021724291.db2.gz LOKKSZLCZSEBRY-CJNGLKHVSA-N -1 0 337.391 3.579 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC[C@H](C)[C@H]3C)n2)cc1 ZINC000439801113 1021726434 /nfs/dbraw/zinc/72/64/34/1021726434.db2.gz KSYHKDUSCOUCRF-LSDHHAIUSA-N -1 0 341.455 3.962 20 0 EHADRM C[C@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000171342914 1033000008 /nfs/dbraw/zinc/00/00/08/1033000008.db2.gz AXGAINMMTVYQHS-CYBMUJFWSA-N -1 0 341.436 3.808 20 0 EHADRM O=C(NCCc1cc2ccccc2s1)c1s[n-]c(=O)c1Cl ZINC000506708068 1021796390 /nfs/dbraw/zinc/79/63/90/1021796390.db2.gz YLYIMNHIEMXDBY-UHFFFAOYSA-N -1 0 338.841 3.689 20 0 EHADRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C1CCCCC1)c1ccc(OC)cc1 ZINC000439904884 1021803128 /nfs/dbraw/zinc/80/31/28/1021803128.db2.gz STRBFRIHMBJVIN-ROUUACIJSA-N -1 0 347.455 3.729 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)N[C@H](C)c1ccccc1 ZINC000519066612 1021822767 /nfs/dbraw/zinc/82/27/67/1021822767.db2.gz VXWMCBVZVCNEKA-CRAIPNDOSA-N -1 0 340.423 3.995 20 0 EHADRM CC(C)C(=O)Nc1cccc(NC(=O)CC2CCC(C(=O)[O-])CC2)c1 ZINC000581826860 1021826590 /nfs/dbraw/zinc/82/65/90/1021826590.db2.gz SAEQQHBFWDZOOF-UHFFFAOYSA-N -1 0 346.427 3.501 20 0 EHADRM COc1cccc(Cl)c1CC(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000439942757 1021835850 /nfs/dbraw/zinc/83/58/50/1021835850.db2.gz HYNIWORIDNMOCT-UHFFFAOYSA-N -1 0 347.798 3.845 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)N3CC(C(C)(C)C)C3)cc2)cc(=O)[nH]1 ZINC000519088512 1021836216 /nfs/dbraw/zinc/83/62/16/1021836216.db2.gz XQXHXWKYZSSXGE-UHFFFAOYSA-N -1 0 340.427 3.667 20 0 EHADRM CCCc1n[n-]c(=NC(=O)Nc2cccc(CC(F)(F)F)c2)s1 ZINC000437563432 1021953487 /nfs/dbraw/zinc/95/34/87/1021953487.db2.gz ZCQNUZZNNQUBPI-UHFFFAOYSA-N -1 0 344.362 3.661 20 0 EHADRM COC[C@H](C)Nc1ccccc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000437589150 1021980310 /nfs/dbraw/zinc/98/03/10/1021980310.db2.gz JMJUHDOLYUZOLR-NSHDSACASA-N -1 0 334.803 3.745 20 0 EHADRM CCc1n[n-]c(=NC(=O)N(C)[C@@H]2CCC[C@H]2c2ccc(C)cc2)s1 ZINC000437593042 1021982485 /nfs/dbraw/zinc/98/24/85/1021982485.db2.gz SWYALFDPDXXOOI-LSDHHAIUSA-N -1 0 344.484 3.631 20 0 EHADRM CCC[C@H]1[C@H](C)CCCN1C(=O)N=c1[n-]nc(SCC)s1 ZINC000437653624 1022031888 /nfs/dbraw/zinc/03/18/88/1022031888.db2.gz KNEYLSQNBUEWFO-MNOVXSKESA-N -1 0 328.507 3.505 20 0 EHADRM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000440277892 1022062618 /nfs/dbraw/zinc/06/26/18/1022062618.db2.gz CDOVOIAVRVADNX-UHFFFAOYSA-N -1 0 349.843 3.644 20 0 EHADRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1cccc2cc[nH]c21 ZINC000548283205 1022063889 /nfs/dbraw/zinc/06/38/89/1022063889.db2.gz NSUZCZGXTSIDSN-UHFFFAOYSA-N -1 0 337.404 3.825 20 0 EHADRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000548283080 1022064205 /nfs/dbraw/zinc/06/42/05/1022064205.db2.gz ZNACPOYDBNBDJP-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM Cc1nc(=NC(=O)c2ccccc2Nc2cccc(C)c2C)s[n-]1 ZINC000440288787 1022068977 /nfs/dbraw/zinc/06/89/77/1022068977.db2.gz COYAZMYXWFKTRR-UHFFFAOYSA-N -1 0 338.436 3.881 20 0 EHADRM O=C(CCc1cccs1)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000520321497 1022127676 /nfs/dbraw/zinc/12/76/76/1022127676.db2.gz WGTQOBSKRKBBJA-UHFFFAOYSA-N -1 0 349.868 3.913 20 0 EHADRM CCCc1nc(=NC(=O)N2CC[C@H](c3cc(C)cc(C)c3)C2)s[n-]1 ZINC000517204319 1022131207 /nfs/dbraw/zinc/13/12/07/1022131207.db2.gz RDACULPZUXTJBQ-AWEZNQCLSA-N -1 0 344.484 3.551 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2cnc3ccccc3c2)cc1C ZINC000517248055 1022165420 /nfs/dbraw/zinc/16/54/20/1022165420.db2.gz BTETZQAEINJDFJ-LBPRGKRZSA-N -1 0 344.440 3.512 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000440411261 1022171777 /nfs/dbraw/zinc/17/17/77/1022171777.db2.gz YSLYVHHCCCBUHR-OAHLLOKOSA-N -1 0 349.459 3.826 20 0 EHADRM Cc1nc(-c2ccc(C(=O)N=c3[n-]nc(C(C)C)s3)cc2)cs1 ZINC000440448992 1022331989 /nfs/dbraw/zinc/33/19/89/1022331989.db2.gz QOXORIHTFRYGNG-UHFFFAOYSA-N -1 0 344.465 3.768 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)N=c2[n-]nc(C3CC3)s2)o1 ZINC000517461751 1022360292 /nfs/dbraw/zinc/36/02/92/1022360292.db2.gz PBWUABNZEOPYKS-MFKMUULPSA-N -1 0 346.456 3.744 20 0 EHADRM COc1ccc(Cl)cc1CC(=O)Nc1cc(Cl)ccc1O ZINC000517562268 1022439243 /nfs/dbraw/zinc/43/92/43/1022439243.db2.gz UTSPCINOHHJXIM-UHFFFAOYSA-N -1 0 326.179 3.889 20 0 EHADRM CCc1nc(CNCc2ccc(Cl)cc2Cl)ccc1C(=O)[O-] ZINC000426659371 1022445925 /nfs/dbraw/zinc/44/59/25/1022445925.db2.gz FBCXXLIYTMFRSL-UHFFFAOYSA-N -1 0 339.222 3.939 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N(Cc2ccc(C)c(C)c2)C2CC2)s1 ZINC000607195539 1033052645 /nfs/dbraw/zinc/05/26/45/1033052645.db2.gz YWYPIORNOYTUDM-UHFFFAOYSA-N -1 0 344.484 3.726 20 0 EHADRM CC(C)c1cnc([N-]S(=O)(=O)CCc2cccc(Cl)c2)s1 ZINC000506847950 1022480986 /nfs/dbraw/zinc/48/09/86/1022480986.db2.gz CPGTXMIPTOFOKW-UHFFFAOYSA-N -1 0 344.889 3.904 20 0 EHADRM Clc1cc(Cl)cc(-c2n[n-]c(=NCC[C@@H]3CCOC3)s2)c1 ZINC000581966593 1022567459 /nfs/dbraw/zinc/56/74/59/1022567459.db2.gz JDJCUWJXGMHBDQ-SECBINFHSA-N -1 0 344.267 3.772 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cnc(-c2ccco2)s1)C1CCCCC1 ZINC000345982352 1022613991 /nfs/dbraw/zinc/61/39/91/1022613991.db2.gz QMQYJNOZYMUHER-GFCCVEGCSA-N -1 0 348.424 3.557 20 0 EHADRM Cc1occc1S([O-])=CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000471865029 1022712879 /nfs/dbraw/zinc/71/28/79/1022712879.db2.gz VSDKJESDAMIJIO-LFPIHBKWSA-N -1 0 345.464 3.523 20 0 EHADRM CC(C)(C)[C@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C1 ZINC000331087092 1022738401 /nfs/dbraw/zinc/73/84/01/1022738401.db2.gz RTNOROPNVLWBMH-ZDUSSCGKSA-N -1 0 345.418 3.615 20 0 EHADRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cccc(Cl)c2C)c1C ZINC000331093830 1022738659 /nfs/dbraw/zinc/73/86/59/1022738659.db2.gz KACMMDJAYQUQCA-JTQLQIEISA-N -1 0 341.864 3.925 20 0 EHADRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c1C ZINC000331089938 1022750697 /nfs/dbraw/zinc/75/06/97/1022750697.db2.gz GYDGAXDVQQHIRH-NSHDSACASA-N -1 0 341.864 3.925 20 0 EHADRM C[C@@H]1C[C@@H](CNC(=O)c2c([O-])cc(Cl)cc2Cl)C[C@H](C)O1 ZINC000334087742 1022849566 /nfs/dbraw/zinc/84/95/66/1022849566.db2.gz ODGQGKWQHPULSK-ILWJIGKKSA-N -1 0 332.227 3.632 20 0 EHADRM O=C([O-])[C@@H](CC1CC1)NC(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000262097480 1022946437 /nfs/dbraw/zinc/94/64/37/1022946437.db2.gz BVFKCJRZGWCIML-QGZVFWFLSA-N -1 0 345.345 3.615 20 0 EHADRM C[C@@H]1CCc2nc(CN[C@@H](CC(=O)[O-])c3ccsc3)sc2C1 ZINC000426684634 1022959880 /nfs/dbraw/zinc/95/98/80/1022959880.db2.gz AIEPSXQYCCCNND-MFKMUULPSA-N -1 0 336.482 3.635 20 0 EHADRM CCCCOc1ccc(CNCc2nc(C)c(C(=O)[O-])s2)cc1 ZINC000426688251 1022977477 /nfs/dbraw/zinc/97/74/77/1022977477.db2.gz OQMUSIJPOOHXJK-UHFFFAOYSA-N -1 0 334.441 3.618 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1coc(-c2cccc(Cl)c2)n1)C1CCC1 ZINC000574414590 1033098378 /nfs/dbraw/zinc/09/83/78/1033098378.db2.gz XEDUTJVACBBSSO-LLVKDONJSA-N -1 0 334.803 3.823 20 0 EHADRM C[C@H]1CCc2nc(CN[C@@H](C(=O)[O-])C3(C)CCCCC3)sc2C1 ZINC000426736698 1023006163 /nfs/dbraw/zinc/00/61/63/1023006163.db2.gz KEVZWSKJCSPMTJ-LRDDRELGSA-N -1 0 336.501 3.781 20 0 EHADRM CC(C)COc1ccc(CN[C@@H](C(=O)[O-])c2c(F)cccc2F)cc1 ZINC000426736879 1023006587 /nfs/dbraw/zinc/00/65/87/1023006587.db2.gz KWUKUXMKYQSDIR-GOSISDBHSA-N -1 0 349.377 3.915 20 0 EHADRM O=S(=O)([N-]c1nc(Cc2ccccc2)cs1)c1ccc(F)cc1 ZINC000171155205 1033099728 /nfs/dbraw/zinc/09/97/28/1033099728.db2.gz OUQIUZQUMHQUGO-UHFFFAOYSA-N -1 0 348.424 3.674 20 0 EHADRM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000438793384 1023010811 /nfs/dbraw/zinc/01/08/11/1023010811.db2.gz RYFGLYOXXLDDAP-UHFFFAOYSA-N -1 0 347.436 3.643 20 0 EHADRM O=C([O-])[C@H](NCc1ccc(Cl)c(F)c1)c1c(F)cccc1F ZINC000426727664 1023014034 /nfs/dbraw/zinc/01/40/34/1023014034.db2.gz PLDJRTPZXAYPHO-CQSZACIVSA-N -1 0 329.705 3.673 20 0 EHADRM O=C([O-])c1cc(NC(=O)CSCc2ccc(F)cc2)ccc1F ZINC000319987589 1023040738 /nfs/dbraw/zinc/04/07/38/1023040738.db2.gz KGQPRMHRRZQLGR-UHFFFAOYSA-N -1 0 337.347 3.535 20 0 EHADRM COc1ccccc1[C@H](NCc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000426816874 1023064157 /nfs/dbraw/zinc/06/41/57/1023064157.db2.gz MPTJVDNEZKNOTC-HNNXBMFYSA-N -1 0 340.206 3.918 20 0 EHADRM COCc1nc(=NC[C@@H](Cc2ccccc2)c2ccccc2)s[n-]1 ZINC000426889483 1023091228 /nfs/dbraw/zinc/09/12/28/1023091228.db2.gz FQTXZYFMZCVDRF-QGZVFWFLSA-N -1 0 339.464 3.545 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)[C@@H]1CCC(=O)c2ccccc21)C(=O)[O-] ZINC000909430217 1023136927 /nfs/dbraw/zinc/13/69/27/1023136927.db2.gz DKEDSQXJKUDVKU-OXQOHEQNSA-N -1 0 345.439 3.677 20 0 EHADRM O=S(=O)([N-][C@H](C1CCCC1)C(F)(F)F)c1ccc(Cl)s1 ZINC000510798878 1023180223 /nfs/dbraw/zinc/18/02/23/1023180223.db2.gz QLIAWYIRYKZSOG-SNVBAGLBSA-N -1 0 347.811 3.801 20 0 EHADRM CCCOc1cccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c1 ZINC000471919225 1023183735 /nfs/dbraw/zinc/18/37/35/1023183735.db2.gz CJEHTLOPDLWHDK-UHFFFAOYSA-N -1 0 348.399 3.897 20 0 EHADRM COc1cc([C@H](C)N=c2[n-]nc(C3CC3)o2)ccc1OCCC(C)C ZINC000341725445 1023194678 /nfs/dbraw/zinc/19/46/78/1023194678.db2.gz DKPSWUFZGKDDRW-ZDUSSCGKSA-N -1 0 345.443 3.976 20 0 EHADRM O=C(NCCSCC(F)(F)F)c1c([O-])cc(Cl)cc1Cl ZINC000439052236 1023243438 /nfs/dbraw/zinc/24/34/38/1023243438.db2.gz DNENOWAMGWMDFI-UHFFFAOYSA-N -1 0 348.173 3.724 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)NCC1(c2ccc(Cl)cc2)CCCCC1 ZINC000507337044 1023245041 /nfs/dbraw/zinc/24/50/41/1023245041.db2.gz BANAADYJAIRRQY-HZPDHXFCSA-N -1 0 349.858 3.769 20 0 EHADRM Cc1ccc(Br)c(NC(=O)CC(C)(C)CC(=O)[O-])c1 ZINC000090064774 1023250305 /nfs/dbraw/zinc/25/03/05/1023250305.db2.gz NQWBBSXFYHDMOH-UHFFFAOYSA-N -1 0 328.206 3.587 20 0 EHADRM O=C(Nc1ccc(F)cc1O)c1csc(Cc2cccc(F)c2)n1 ZINC000507334081 1023254859 /nfs/dbraw/zinc/25/48/59/1023254859.db2.gz VTKMNJJCOBSQGZ-UHFFFAOYSA-N -1 0 346.358 3.970 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000548450916 1023317246 /nfs/dbraw/zinc/31/72/46/1023317246.db2.gz MWYPHIJHYHSWQD-OAHLLOKOSA-N -1 0 331.362 3.908 20 0 EHADRM O=C([O-])[C@H](CC(=O)N[C@@H]1CCCc2ccc(F)cc21)c1ccccc1 ZINC000684558590 1023317634 /nfs/dbraw/zinc/31/76/34/1023317634.db2.gz LPXAOZYDYQNKOM-QZTJIDSGSA-N -1 0 341.382 3.578 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)C[C@@H](C)C(F)(F)F)s[n-]1 ZINC000629980059 1033131892 /nfs/dbraw/zinc/13/18/92/1033131892.db2.gz BOPVTPKGOMMJAD-SSDOTTSWSA-N -1 0 335.376 3.524 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)cc1 ZINC000471965740 1023466687 /nfs/dbraw/zinc/46/66/87/1023466687.db2.gz FQXWRAGZFUYCPF-UHFFFAOYSA-N -1 0 329.780 3.548 20 0 EHADRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cccc(C)c2)c1C1CC1 ZINC000535687181 1023565457 /nfs/dbraw/zinc/56/54/57/1023565457.db2.gz ZNVDUVLLAVSTFV-ZDUSSCGKSA-N -1 0 333.457 3.841 20 0 EHADRM Cn1c(CN[C@H](CC(=O)[O-])c2ccsc2)nc2ccc(Cl)cc21 ZINC000277053233 1023724972 /nfs/dbraw/zinc/72/49/72/1023724972.db2.gz SLVFSIJEFIKWGZ-CYBMUJFWSA-N -1 0 349.843 3.594 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NCc2ccccc2Cl)c1OC ZINC000277163412 1023889907 /nfs/dbraw/zinc/88/99/07/1023889907.db2.gz DIIAFQVZOLYSLC-HNNXBMFYSA-N -1 0 349.814 3.663 20 0 EHADRM CC[C@H](C)[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC000326896239 1023957099 /nfs/dbraw/zinc/95/70/99/1023957099.db2.gz HVCOFTPLQQILKH-IPELMVKDSA-N -1 0 339.435 3.628 20 0 EHADRM CCc1cccc(NC(=O)c2nn(-c3ccccc3F)cc2[O-])c1 ZINC000520494610 1023958061 /nfs/dbraw/zinc/95/80/61/1023958061.db2.gz YAKXHLQROQJVCE-UHFFFAOYSA-N -1 0 325.343 3.532 20 0 EHADRM CC(C)COC1CCN(c2c(C(=O)[O-])c[nH+]c3ccccc32)CC1 ZINC000574457186 1033178164 /nfs/dbraw/zinc/17/81/64/1033178164.db2.gz VIHBCSDXILLISN-UHFFFAOYSA-N -1 0 328.412 3.574 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)CCc1ccc(F)cc1 ZINC000236623175 1024033340 /nfs/dbraw/zinc/03/33/40/1024033340.db2.gz AIXMZTIGNSCTJM-UHFFFAOYSA-N -1 0 345.370 3.882 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N[C@@H]2CC[C@H](C)c3ccccc32)s1 ZINC000443873246 1024087285 /nfs/dbraw/zinc/08/72/85/1024087285.db2.gz BHQZPPKAJMZCIN-GXFFZTMASA-N -1 0 348.497 3.832 20 0 EHADRM Cc1ccccc1CCC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000191442690 1024095425 /nfs/dbraw/zinc/09/54/25/1024095425.db2.gz DUEDSEYALVMGMA-HNNXBMFYSA-N -1 0 325.408 3.830 20 0 EHADRM CC(C)n1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)n1 ZINC000280855972 1024095564 /nfs/dbraw/zinc/09/55/64/1024095564.db2.gz BWRCTXLLCVFQPM-UHFFFAOYSA-N -1 0 340.257 3.633 20 0 EHADRM CCOc1cccc([C@H](C)NC(=O)CCc2ccccc2C(=O)[O-])c1 ZINC000262192086 1024118542 /nfs/dbraw/zinc/11/85/42/1024118542.db2.gz RDMPLMFGRNARCI-AWEZNQCLSA-N -1 0 341.407 3.594 20 0 EHADRM CCOc1ccc(CNC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)cc1 ZINC000522619835 1024122544 /nfs/dbraw/zinc/12/25/44/1024122544.db2.gz COIVBUKHOIRSCF-HXUWFJFHSA-N -1 0 347.455 3.763 20 0 EHADRM O=C(NCCC[C@@H]1CCCC[C@@H]1O)c1c([O-])cc(Cl)cc1Cl ZINC000134503408 1024124399 /nfs/dbraw/zinc/12/43/99/1024124399.db2.gz BAETXXSVYQVWSL-GWCFXTLKSA-N -1 0 346.254 3.760 20 0 EHADRM O=C([O-])CCCSc1ccc(-c2cc3c(cc2CO)OCO3)cc1 ZINC000657208125 1024128126 /nfs/dbraw/zinc/12/81/26/1024128126.db2.gz QYZYEECBSKEUJN-UHFFFAOYSA-N -1 0 346.404 3.532 20 0 EHADRM COc1cc(-c2ccc(CCC(=O)[O-])cc2)cnc1C(F)(F)F ZINC000657206611 1024128917 /nfs/dbraw/zinc/12/89/17/1024128917.db2.gz CQMUCGKUOXYRMW-UHFFFAOYSA-N -1 0 325.286 3.793 20 0 EHADRM O=C([O-])C1(c2ccc(-c3ccc(C(F)(F)F)cc3CO)cc2)CC1 ZINC000657207406 1024131022 /nfs/dbraw/zinc/13/10/22/1024131022.db2.gz KVCBFFZXGSKRHF-UHFFFAOYSA-N -1 0 336.309 3.981 20 0 EHADRM COCCCOc1ccc(-c2cccc3[nH]cc(CC(=O)[O-])c32)cc1 ZINC000657207476 1024131306 /nfs/dbraw/zinc/13/13/06/1024131306.db2.gz QSBUIAGVJOSTLO-UHFFFAOYSA-N -1 0 339.391 3.877 20 0 EHADRM O=C([O-])CCCCCc1ccc(-c2cc3c(cc2CO)OCO3)cc1 ZINC000657208196 1024131404 /nfs/dbraw/zinc/13/14/04/1024131404.db2.gz VWGXTNACQBAMHC-UHFFFAOYSA-N -1 0 342.391 3.762 20 0 EHADRM CC[C@H](C)[C@@H]([N-]S(=O)(=O)C[C@H](C)c1ccccc1)C(F)(F)F ZINC000443939575 1024153549 /nfs/dbraw/zinc/15/35/49/1024153549.db2.gz YIDQFRUPAGZNBU-SGMGOOAPSA-N -1 0 337.407 3.687 20 0 EHADRM O=C([O-])c1cc(NC(=O)C2(c3ccc(Cl)cc3)CC2)ccc1F ZINC000319780619 1024172256 /nfs/dbraw/zinc/17/22/56/1024172256.db2.gz MBIWZGUIYJUNNC-UHFFFAOYSA-N -1 0 333.746 3.848 20 0 EHADRM Cc1cc(=NC(=O)C2(Sc3ccccc3)CCCC2)[n-]nc1C ZINC000522303538 1024180538 /nfs/dbraw/zinc/18/05/38/1024180538.db2.gz IGYURONIMPIDDF-UHFFFAOYSA-N -1 0 327.453 3.559 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1Cc2ccccc2C2(CC2)C1 ZINC000192547964 1024188742 /nfs/dbraw/zinc/18/87/42/1024188742.db2.gz VJBAJKAAHANGDP-UHFFFAOYSA-N -1 0 331.774 3.872 20 0 EHADRM CO[C@H](C)c1nc(=N[C@@H](C)C2(c3ccccc3)CCCC2)s[n-]1 ZINC000509626649 1024198295 /nfs/dbraw/zinc/19/82/95/1024198295.db2.gz SUHQLSIZFVKKCQ-KGLIPLIRSA-N -1 0 331.485 3.980 20 0 EHADRM CCOc1cccc([N-]S(=O)(=O)c2c(C)cc(C)cc2OC)c1 ZINC000434632745 1024210299 /nfs/dbraw/zinc/21/02/99/1024210299.db2.gz AGWJYVNIMRNUBN-UHFFFAOYSA-N -1 0 335.425 3.512 20 0 EHADRM O=S(=O)([N-]c1cccc2n[nH]cc21)c1ccc(Cl)cc1Cl ZINC000684653445 1024291653 /nfs/dbraw/zinc/29/16/53/1024291653.db2.gz RHSAXJBOXFLDBG-UHFFFAOYSA-N -1 0 342.207 3.671 20 0 EHADRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1cccc(C(=O)CC)c1 ZINC000391658904 1024387891 /nfs/dbraw/zinc/38/78/91/1024387891.db2.gz OOHHWUGDKQXDMP-UHFFFAOYSA-N -1 0 347.436 3.787 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000033463643 1024411535 /nfs/dbraw/zinc/41/15/35/1024411535.db2.gz ALZWKJOSPQKSTA-DYVFJYSZSA-N -1 0 327.380 3.708 20 0 EHADRM Cc1ccccc1NCCC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000909520422 1024447752 /nfs/dbraw/zinc/44/77/52/1024447752.db2.gz PWXSAJMJKDLTPJ-HNNXBMFYSA-N -1 0 340.423 3.699 20 0 EHADRM CC(C)Cc1ccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cc1 ZINC000126854887 1024486404 /nfs/dbraw/zinc/48/64/04/1024486404.db2.gz GPJBFEOMSQCXRZ-IBGZPJMESA-N -1 0 334.419 3.524 20 0 EHADRM CC(=O)c1ccc(NC(=O)c2cc(Br)ccc2[O-])cc1 ZINC000011639327 1024491442 /nfs/dbraw/zinc/49/14/42/1024491442.db2.gz XUMWKBBLDOTKDT-UHFFFAOYSA-N -1 0 334.169 3.610 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1 ZINC000607610765 1033215259 /nfs/dbraw/zinc/21/52/59/1033215259.db2.gz ZUSSRDHITWLNSG-UHFFFAOYSA-N -1 0 337.344 3.756 20 0 EHADRM CC[C@@H](SC)C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000536460756 1024500011 /nfs/dbraw/zinc/50/00/11/1024500011.db2.gz RCZZIBVIZIPJJP-SECBINFHSA-N -1 0 338.654 3.888 20 0 EHADRM O=C([O-])CC[C@H](CC1CCCCC1)NC(=O)[C@@H]1CCC[C@@H](F)C1 ZINC000425253464 1024512019 /nfs/dbraw/zinc/51/20/19/1024512019.db2.gz KBWBTFGZQZZFIQ-BZUAXINKSA-N -1 0 327.440 3.835 20 0 EHADRM CC(C)(C)n1cc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cn1 ZINC000065834046 1024553157 /nfs/dbraw/zinc/55/31/57/1024553157.db2.gz YSMBEURSVFUJLK-UHFFFAOYSA-N -1 0 348.255 3.746 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)[C@H]2CCOC3(CCCC3)C2)cc1)C(=O)[O-] ZINC000909522615 1024565993 /nfs/dbraw/zinc/56/59/93/1024565993.db2.gz ZJCSGFIBWBDJNA-ZBFHGGJFSA-N -1 0 345.439 3.628 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)C(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000909449179 1024588617 /nfs/dbraw/zinc/58/86/17/1024588617.db2.gz MFBJVRQFKUUCMS-LLVKDONJSA-N -1 0 345.361 3.644 20 0 EHADRM CC(C)[C@H](SCc1ccccc1)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000262958021 1024614009 /nfs/dbraw/zinc/61/40/09/1024614009.db2.gz LVBYXCOXFBJHAL-PVAVHDDUSA-N -1 0 349.496 3.514 20 0 EHADRM Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccccc1OC(C)C ZINC000320766623 1024634744 /nfs/dbraw/zinc/63/47/44/1024634744.db2.gz XVZWKTGGYPJLIL-UHFFFAOYSA-N -1 0 340.832 3.631 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2Br)cc1 ZINC000435138259 1024648059 /nfs/dbraw/zinc/64/80/59/1024648059.db2.gz QYAKWZOCLNGMQY-UHFFFAOYSA-N -1 0 340.242 3.867 20 0 EHADRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccc(F)c(C)c1 ZINC000548611387 1024691173 /nfs/dbraw/zinc/69/11/73/1024691173.db2.gz TYFQGOMAYFAKTO-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM C[C@@H]1CCC[C@@H](CC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)C1 ZINC000427702809 1024743766 /nfs/dbraw/zinc/74/37/66/1024743766.db2.gz VSXBUPLYTGTZGT-XYVMCAHJSA-N -1 0 329.440 3.530 20 0 EHADRM COCc1cc(NC(=O)c2ccc(C(C)C)s2)cc(C(=O)[O-])c1 ZINC000427712478 1024760609 /nfs/dbraw/zinc/76/06/09/1024760609.db2.gz CUQJTOWYTUHJBR-UHFFFAOYSA-N -1 0 333.409 3.968 20 0 EHADRM Cc1c(C(=O)[O-])sc2ncnc(NC[C@H]3CC34CCSCC4)c12 ZINC000514862717 1024794489 /nfs/dbraw/zinc/79/44/89/1024794489.db2.gz JEBMQJBAXUUWNN-SNVBAGLBSA-N -1 0 349.481 3.643 20 0 EHADRM C[C@H](NC(=O)N1CCCCC[C@H]1C(=O)[O-])c1cc2ccccc2o1 ZINC000684713295 1024884011 /nfs/dbraw/zinc/88/40/11/1024884011.db2.gz FHMSNQSFNBRYLK-JSGCOSHPSA-N -1 0 330.384 3.533 20 0 EHADRM C[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)N[C@H]1CCc2ccccc21 ZINC000684718542 1024955635 /nfs/dbraw/zinc/95/56/35/1024955635.db2.gz XWYUDXGTBPWAPF-KSSFIOAISA-N -1 0 338.407 3.531 20 0 EHADRM CC[C@H](NC(=O)N1CCCCC[C@@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000684719162 1024966507 /nfs/dbraw/zinc/96/65/07/1024966507.db2.gz HJBMEXMGCKVHHC-LSDHHAIUSA-N -1 0 338.835 3.830 20 0 EHADRM CNc1ccc(Cl)c(C(=O)NCCCCCCCC(=O)[O-])c1 ZINC000909468278 1024977385 /nfs/dbraw/zinc/97/73/85/1024977385.db2.gz SQRZSIWGSKKGEW-UHFFFAOYSA-N -1 0 326.824 3.537 20 0 EHADRM COc1ccc2[nH]cc(CC(=O)Nc3cc(F)cc(Cl)c3[O-])c2c1 ZINC000474447418 1024981504 /nfs/dbraw/zinc/98/15/04/1024981504.db2.gz QTFDOAUTIGTWQT-UHFFFAOYSA-N -1 0 348.761 3.856 20 0 EHADRM COc1ccccc1SCC(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474450197 1024986994 /nfs/dbraw/zinc/98/69/94/1024986994.db2.gz WIBSSMLKHLLWRL-UHFFFAOYSA-N -1 0 341.791 3.924 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)N(C)[C@H](CC(C)C)C(=O)[O-])c(C)s1 ZINC000684721714 1024996351 /nfs/dbraw/zinc/99/63/51/1024996351.db2.gz YKEFXPNVWPIJBZ-BXUZGUMPSA-N -1 0 326.462 3.567 20 0 EHADRM O=C1[N-]OC[C@H]1Nc1ccccc1N(c1ccccc1)c1ccccc1 ZINC001167519074 1025006746 /nfs/dbraw/zinc/00/67/46/1025006746.db2.gz COVUAYSXDKSQAU-LJQANCHMSA-N -1 0 345.402 3.998 20 0 EHADRM CC(C)C[C@H](C(=O)[O-])N(C)C(=O)NCCc1csc2ccccc12 ZINC000684722670 1025016853 /nfs/dbraw/zinc/01/68/53/1025016853.db2.gz GYGKEJPLFDDESV-OAHLLOKOSA-N -1 0 348.468 3.585 20 0 EHADRM COc1ccc([C@@H](N=c2[n-]nc(C)o2)c2ccccc2Cl)cc1 ZINC000342363609 1025059737 /nfs/dbraw/zinc/05/97/37/1025059737.db2.gz SFYAQUYFJMZMPB-MRXNPFEDSA-N -1 0 329.787 3.663 20 0 EHADRM CCCn1ccc2cc(NC(=O)N3CC[C@H](C)C[C@H]3C(=O)[O-])ccc21 ZINC000582040871 1025078652 /nfs/dbraw/zinc/07/86/52/1025078652.db2.gz XMDFWPZNHHNJES-GUYCJALGSA-N -1 0 343.427 3.768 20 0 EHADRM CCCn1ncc([N-]S(=O)(=O)c2cc(C)sc2C)c1C1CC1 ZINC000582043797 1025080000 /nfs/dbraw/zinc/08/00/00/1025080000.db2.gz AINSXIIUCALPGA-UHFFFAOYSA-N -1 0 339.486 3.650 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N(CC(=O)[O-])C2CCC2)cc1Cl ZINC000515200187 1025087058 /nfs/dbraw/zinc/08/70/58/1025087058.db2.gz HJGMZYIUCQSWCE-UHFFFAOYSA-N -1 0 340.807 3.598 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1cccc(-c2ccoc2)c1)Cc1ccccc1 ZINC000190954604 1025146925 /nfs/dbraw/zinc/14/69/25/1025146925.db2.gz PGALDZSNANVTPT-IBGZPJMESA-N -1 0 349.386 3.620 20 0 EHADRM Cc1ccc(-c2nc(NC(=O)C3(c4ccccc4C)CCC3)n[nH]2)o1 ZINC000351974920 1025168347 /nfs/dbraw/zinc/16/83/47/1025168347.db2.gz LZKRTDVGUVQCIY-UHFFFAOYSA-N -1 0 336.395 3.742 20 0 EHADRM CC[C@@H](CC1CCCCC1)C(=O)N=c1nc([C@@H](C)OC)[n-]s1 ZINC000511066935 1025172880 /nfs/dbraw/zinc/17/28/80/1025172880.db2.gz ZRHYOJMBBWYOQY-YPMHNXCESA-N -1 0 325.478 3.603 20 0 EHADRM CC(C)[C@@H]1CCCN(C(=O)N=c2[n-]nc(-c3ccccc3)s2)C1 ZINC000444047878 1025202120 /nfs/dbraw/zinc/20/21/20/1025202120.db2.gz GWZOLFFTNYYEBD-CQSZACIVSA-N -1 0 330.457 3.527 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ncc(-c3ccccc3)s2)[C@@H](C(=O)[O-])C1 ZINC000521168743 1025245241 /nfs/dbraw/zinc/24/52/41/1025245241.db2.gz CENRCIRPACSILL-DGCLKSJQSA-N -1 0 345.424 3.527 20 0 EHADRM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1cccc(=O)[nH]1 ZINC000346872691 1025265677 /nfs/dbraw/zinc/26/56/77/1025265677.db2.gz NKKIRSPFZNWJLQ-UHFFFAOYSA-N -1 0 333.558 3.705 20 0 EHADRM O=C(N[C@H]1CCc2sc(Cl)cc21)c1s[n-]c(=O)c1Cl ZINC000521247150 1025284843 /nfs/dbraw/zinc/28/48/43/1025284843.db2.gz JOFPGEPYDHKZIV-YFKPBYRVSA-N -1 0 335.237 3.634 20 0 EHADRM CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1cccc(C(C)C)c1 ZINC000442363689 1025288898 /nfs/dbraw/zinc/28/88/98/1025288898.db2.gz TVYLYESSKCPGRW-UHFFFAOYSA-N -1 0 347.436 3.788 20 0 EHADRM CCSc1cccc(CN=c2[n-]nc(-c3ccc(OC)cc3)o2)c1 ZINC000436023587 1025308103 /nfs/dbraw/zinc/30/81/03/1025308103.db2.gz PVOVEARSUYFWQB-UHFFFAOYSA-N -1 0 341.436 3.891 20 0 EHADRM Cc1cc([N-]C(=O)c2nc([C@@H](c3ccc(C)cc3)C(C)C)no2)no1 ZINC000685389444 1033281124 /nfs/dbraw/zinc/28/11/24/1033281124.db2.gz BJVZFRZGZCMIFJ-OAHLLOKOSA-N -1 0 340.383 3.715 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000442746516 1025463792 /nfs/dbraw/zinc/46/37/92/1025463792.db2.gz ZZXVVQRRIABRTE-DLOVCJGASA-N -1 0 344.238 3.809 20 0 EHADRM Cc1ccnc([C@H]2CCN(C(=O)c3cc(F)cc(Cl)c3[O-])C2)c1 ZINC000582190744 1025553758 /nfs/dbraw/zinc/55/37/58/1025553758.db2.gz CHWSXODIXAYYJR-NSHDSACASA-N -1 0 334.778 3.518 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2scnc2C(C)C)c1 ZINC000451101525 1025561486 /nfs/dbraw/zinc/56/14/86/1025561486.db2.gz CWWKTXOWOZADKG-UHFFFAOYSA-N -1 0 347.465 3.924 20 0 EHADRM CCSCc1ccc([N-]S(=O)(=O)c2cn(C(C)C)cn2)cc1 ZINC000451103525 1025565738 /nfs/dbraw/zinc/56/57/38/1025565738.db2.gz BKJIJWWSURBKAB-UHFFFAOYSA-N -1 0 339.486 3.518 20 0 EHADRM C[C@H](CNC(=O)C(C)(C)Cc1ccc(C(F)(F)F)cc1)CC(=O)[O-] ZINC000909493420 1025586094 /nfs/dbraw/zinc/58/60/94/1025586094.db2.gz ZUSUKFOCSKOSSZ-NSHDSACASA-N -1 0 345.361 3.501 20 0 EHADRM O=S(=O)([N-]c1cccnc1Nc1ccccc1)c1ccccc1 ZINC000034526962 1025666144 /nfs/dbraw/zinc/66/61/44/1025666144.db2.gz YRAMWAWWZWNEDO-UHFFFAOYSA-N -1 0 325.393 3.626 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N[C@H](C)c2ccc(OC)cc2)s1 ZINC000521819599 1025704605 /nfs/dbraw/zinc/70/46/05/1025704605.db2.gz BWONWEXKKVNHBX-LLVKDONJSA-N -1 0 348.472 3.755 20 0 EHADRM CCOc1ccncc1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1 ZINC000436478375 1025753854 /nfs/dbraw/zinc/75/38/54/1025753854.db2.gz MHJPCKNOZHUMBC-UHFFFAOYSA-N -1 0 347.223 3.588 20 0 EHADRM C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2cccc(Br)c2[O-])C1 ZINC000530404327 1025772057 /nfs/dbraw/zinc/77/20/57/1025772057.db2.gz AWSWGNOFRZLLEB-MXWKQRLJSA-N -1 0 326.234 3.661 20 0 EHADRM CCCC[C@@H](NC(=O)[C@@H](CC)Oc1ccccc1C(C)C)C(=O)[O-] ZINC000347268420 1025773255 /nfs/dbraw/zinc/77/32/55/1025773255.db2.gz QFHDVAOKOMMWLV-HZPDHXFCSA-N -1 0 335.444 3.727 20 0 EHADRM CCCC[C@@H](NC(=O)c1csc(-c2ccc(C)cc2C)n1)C(=O)[O-] ZINC000347264197 1025781459 /nfs/dbraw/zinc/78/14/59/1025781459.db2.gz RCZHKIBKLQTDGK-CQSZACIVSA-N -1 0 346.452 3.800 20 0 EHADRM O=C([O-])CC1(CC(=O)N[C@H]2CCCc3ccc(F)cc32)CCCC1 ZINC000530424605 1025798922 /nfs/dbraw/zinc/79/89/22/1025798922.db2.gz QDZJGQJDQXFTOY-INIZCTEOSA-N -1 0 333.403 3.745 20 0 EHADRM COc1ccc(C(=O)N2CC[C@](F)(c3cc(C)cc(F)c3)C2)c(O)c1 ZINC000436512504 1025808824 /nfs/dbraw/zinc/80/88/24/1025808824.db2.gz KJUCPNDGHJUCCB-LJQANCHMSA-N -1 0 347.361 3.559 20 0 EHADRM O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1cc(Cl)ccc1[O-] ZINC000436522671 1025825504 /nfs/dbraw/zinc/82/55/04/1025825504.db2.gz WIYDVUORDSKNOE-OAHLLOKOSA-N -1 0 347.798 3.856 20 0 EHADRM CCOc1ccccc1C1=CCN(C(=O)c2ccc(F)cc2[O-])CC1 ZINC000436527250 1025829994 /nfs/dbraw/zinc/82/99/94/1025829994.db2.gz HIGBJCCPEQZTBU-UHFFFAOYSA-N -1 0 341.382 3.860 20 0 EHADRM CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cc(C)ccc2O)c(C)c1 ZINC000436545050 1025847743 /nfs/dbraw/zinc/84/77/43/1025847743.db2.gz BIQDVFNENCTITQ-AWEZNQCLSA-N -1 0 340.423 3.790 20 0 EHADRM O=C(Nc1ccc(N2CCCC2=O)c(F)c1)c1cc(Cl)ccc1[O-] ZINC000436548239 1025850755 /nfs/dbraw/zinc/85/07/55/1025850755.db2.gz QBIVEHFDJOCLOE-UHFFFAOYSA-N -1 0 348.761 3.564 20 0 EHADRM CCN(CC1CCC1)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000436562411 1025890638 /nfs/dbraw/zinc/89/06/38/1025890638.db2.gz FKWIIFHIXLBHCC-UHFFFAOYSA-N -1 0 330.197 3.556 20 0 EHADRM Cc1ccc(-c2nc(CN3CCC[C@H](C)[C@@H]3C(=O)[O-])cs2)cc1 ZINC000324463554 1025906326 /nfs/dbraw/zinc/90/63/26/1025906326.db2.gz BYQPBOCDBCKUMX-XJKSGUPXSA-N -1 0 330.453 3.804 20 0 EHADRM COCCC1(CNC(=O)c2cc(Cl)c3ccccc3c2[O-])CC1 ZINC000436593632 1025910998 /nfs/dbraw/zinc/91/09/98/1025910998.db2.gz FRVJWJRVJFDQIU-UHFFFAOYSA-N -1 0 333.815 3.745 20 0 EHADRM Cn1cc(Nc2cccc(NC(=O)c3ccc(Cl)cc3[O-])c2)cn1 ZINC000436582713 1025922239 /nfs/dbraw/zinc/92/22/39/1025922239.db2.gz BOKUSKODUJAJRW-UHFFFAOYSA-N -1 0 342.786 3.775 20 0 EHADRM O=C(c1c([O-])cc(Cl)cc1Cl)N1CCOC2(CCCCC2)C1 ZINC000436580171 1025922723 /nfs/dbraw/zinc/92/27/23/1025922723.db2.gz AMAXGQYPKDHQIO-UHFFFAOYSA-N -1 0 344.238 3.874 20 0 EHADRM CC(C)(CCO)CNC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436583589 1025924963 /nfs/dbraw/zinc/92/49/63/1025924963.db2.gz HSDQTWBCSRAKJS-UHFFFAOYSA-N -1 0 347.842 3.851 20 0 EHADRM C[C@@]1(c2ccc(F)cc2)CCN(C(=O)c2ccc([O-])c(Cl)c2)C1 ZINC000436612229 1025945110 /nfs/dbraw/zinc/94/51/10/1025945110.db2.gz WUEVMPXDTYIMGZ-GOSISDBHSA-N -1 0 333.790 3.989 20 0 EHADRM O=C([O-])CCc1ccc(Nc2c(F)c(F)nc(F)c2Cl)cc1 ZINC001213620856 1025950296 /nfs/dbraw/zinc/95/02/96/1025950296.db2.gz BXWOZSCNNZDRSM-UHFFFAOYSA-N -1 0 330.693 3.913 20 0 EHADRM COc1cc(Nc2cc(C)cc(C(=O)[O-])c2)ncc1C(F)(F)F ZINC001211542351 1025951772 /nfs/dbraw/zinc/95/17/72/1025951772.db2.gz GSBZLNLVOLDBCB-UHFFFAOYSA-N -1 0 326.274 3.859 20 0 EHADRM O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1cc(F)cc(Cl)c1[O-] ZINC000436632624 1025962333 /nfs/dbraw/zinc/96/23/33/1025962333.db2.gz DTHVMMUWKJVYAQ-UHFFFAOYSA-N -1 0 331.734 3.827 20 0 EHADRM Cc1ccc(-c2nc(CNC(=O)c3cc(F)c([O-])c(F)c3)co2)cc1 ZINC000436638536 1025969740 /nfs/dbraw/zinc/96/97/40/1025969740.db2.gz ITCBFMWZNFXVQU-UHFFFAOYSA-N -1 0 344.317 3.564 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C[C@H]2CCO[C@H](C(C)C)C2)c1 ZINC000436650291 1025978319 /nfs/dbraw/zinc/97/83/19/1025978319.db2.gz YSESMLVMTKJCRC-UGSOOPFHSA-N -1 0 333.428 3.765 20 0 EHADRM O=C(Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)c1ccc(O)cc1 ZINC000436655664 1025984750 /nfs/dbraw/zinc/98/47/50/1025984750.db2.gz DPNUMYQLNIDFRD-UHFFFAOYSA-N -1 0 329.355 3.785 20 0 EHADRM Cc1cccc(C2(C(=O)N=c3nc(-c4ccccc4)[n-]s3)CCC2)c1 ZINC000614689203 1025985175 /nfs/dbraw/zinc/98/51/75/1025985175.db2.gz CUTCOFHKSLPHHI-UHFFFAOYSA-N -1 0 349.459 3.996 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cn(C)nc2-c2ccccc2)c1 ZINC000436647608 1025996356 /nfs/dbraw/zinc/99/63/56/1025996356.db2.gz RBBGLRUFDMOVQZ-UHFFFAOYSA-N -1 0 349.390 3.638 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2csc(C(F)(F)F)n2)c1 ZINC000436645952 1025997395 /nfs/dbraw/zinc/99/73/95/1025997395.db2.gz NFFTZYBWMQMDCO-UHFFFAOYSA-N -1 0 344.314 3.713 20 0 EHADRM C[C@@H](NC(=O)c1c(F)ccc(O)c1F)c1ccccc1OC(F)F ZINC000516115966 1026003132 /nfs/dbraw/zinc/00/31/32/1026003132.db2.gz ANXORGQINPPGPY-MRVPVSSYSA-N -1 0 343.276 3.763 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H](C)Oc2cccc(F)c2)c1 ZINC000436658167 1026020929 /nfs/dbraw/zinc/02/09/29/1026020929.db2.gz NQFBVOQFYFSUDL-NSHDSACASA-N -1 0 331.343 3.530 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@]23CCCc2ccccc23)c1 ZINC000436676913 1026025447 /nfs/dbraw/zinc/02/54/47/1026025447.db2.gz AOPZLHIPWCTNOF-UTKZUKDTSA-N -1 0 335.403 3.828 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ncc(-c3cccc(C)c3)s2)o1 ZINC000582382954 1026027024 /nfs/dbraw/zinc/02/70/24/1026027024.db2.gz FIIWQKRTDPLWKN-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cccc(C)c2Br)c1 ZINC000436680013 1026029989 /nfs/dbraw/zinc/02/99/89/1026029989.db2.gz MRCOUFRGQYQFMQ-UHFFFAOYSA-N -1 0 348.196 3.918 20 0 EHADRM Cc1ccc([C@H]2CCCCCN2C(=O)NC[C@H](C(=O)[O-])C2CCC2)o1 ZINC000665325789 1026033377 /nfs/dbraw/zinc/03/33/77/1026033377.db2.gz OFEKLHJRBXWRQZ-JKSUJKDBSA-N -1 0 348.443 3.716 20 0 EHADRM Cc1ccccc1OCCCN(C)C(=O)c1ccc([O-])c(Cl)c1 ZINC000436689689 1026046223 /nfs/dbraw/zinc/04/62/23/1026046223.db2.gz XGUJUNRRYQJVQI-UHFFFAOYSA-N -1 0 333.815 3.895 20 0 EHADRM C[C@H](c1cc2ccccc2o1)N(C)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000665329542 1026066887 /nfs/dbraw/zinc/06/68/87/1026066887.db2.gz JYRLVWAEUWBEHJ-DOMZBBRYSA-N -1 0 344.411 3.636 20 0 EHADRM O=C(c1cc(-c2ccccc2)cc(Cl)c1[O-])N(CCO)CC1CC1 ZINC000436731392 1026122140 /nfs/dbraw/zinc/12/21/40/1026122140.db2.gz OOXXSOGSJURYPV-UHFFFAOYSA-N -1 0 345.826 3.557 20 0 EHADRM CO[C@@H](CNC(=O)c1c([O-])cc(Cl)cc1Cl)c1ccccc1 ZINC000436758681 1026127027 /nfs/dbraw/zinc/12/70/27/1026127027.db2.gz NEASRXGGIZTPAF-AWEZNQCLSA-N -1 0 340.206 3.817 20 0 EHADRM COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2c([O-])cccc2Cl)cc1 ZINC000760142603 1026210933 /nfs/dbraw/zinc/21/09/33/1026210933.db2.gz PZTMYYOCNGFOGG-NSHDSACASA-N -1 0 347.798 3.650 20 0 EHADRM CCc1cccc(C(=O)N[C@H](C)c2nc(C3CCCCC3)no2)c1O ZINC000530748495 1026259752 /nfs/dbraw/zinc/25/97/52/1026259752.db2.gz AJRSPVIXXXWEPN-GFCCVEGCSA-N -1 0 343.427 3.876 20 0 EHADRM COCC1(c2noc(-c3cc(Cl)c4ccccc4c3[O-])n2)CC1 ZINC000897045829 1026266960 /nfs/dbraw/zinc/26/69/60/1026266960.db2.gz MAFZMISTGKZDIO-UHFFFAOYSA-N -1 0 330.771 3.927 20 0 EHADRM C[C@@H]1CCC[C@H](N(C)C(=O)N=c2nc(-c3ccccc3)[n-]s2)C1 ZINC000530865303 1026367316 /nfs/dbraw/zinc/36/73/16/1026367316.db2.gz XAUBWXUNERBISY-OCCSQVGLSA-N -1 0 330.457 3.669 20 0 EHADRM CCOC(=O)c1cnc(NC(=O)c2sc3cccc(F)c3c2C)[n-]1 ZINC000339175027 1026400291 /nfs/dbraw/zinc/40/02/91/1026400291.db2.gz VHZICKNKISHBSO-UHFFFAOYSA-N -1 0 347.371 3.501 20 0 EHADRM COc1cc(Nc2cc(C)cc(C(=O)[O-])c2)ccc1-n1cnc(C)c1 ZINC001211547161 1026435323 /nfs/dbraw/zinc/43/53/23/1026435323.db2.gz ILNPTTMAJVYWAA-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM CCC(C)(C)N(C)C(=O)N1C[C@H](CC(=O)[O-])Sc2ccccc21 ZINC000684896581 1026445112 /nfs/dbraw/zinc/44/51/12/1026445112.db2.gz ZKFAXVBABSXSBZ-LBPRGKRZSA-N -1 0 336.457 3.682 20 0 EHADRM CC1(C)CN(C(=O)CC2CCC(C(=O)[O-])CC2)CC[C@@H]1C(F)(F)F ZINC000566288574 1026492752 /nfs/dbraw/zinc/49/27/52/1026492752.db2.gz JWECHYKASJDBMM-BPCQOVAHSA-N -1 0 349.393 3.705 20 0 EHADRM CCO[C@H](CC(=O)N[C@H](CCC(=O)[O-])c1ccccc1)C1=CCCC1 ZINC000431438686 1026503555 /nfs/dbraw/zinc/50/35/55/1026503555.db2.gz NHBBJSBFMSNMRV-QZTJIDSGSA-N -1 0 345.439 3.614 20 0 EHADRM CC(C)Cc1nc(=NCc2csc(Br)c2)s[n-]1 ZINC000475353561 1026505868 /nfs/dbraw/zinc/50/58/68/1026505868.db2.gz QHKDMHQWNFTZIR-UHFFFAOYSA-N -1 0 332.292 3.595 20 0 EHADRM COc1ccccc1-c1n[n-]c(=NCc2csc3ccccc23)o1 ZINC000428341018 1026614492 /nfs/dbraw/zinc/61/44/92/1026614492.db2.gz MHYCBANXJCZSFP-UHFFFAOYSA-N -1 0 337.404 3.994 20 0 EHADRM CCC[C@@](C)(NC(=O)C[C@H](C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000431461843 1026693382 /nfs/dbraw/zinc/69/33/82/1026693382.db2.gz VZXSGXKQUTZTLI-SJKOYZFVSA-N -1 0 325.836 3.668 20 0 EHADRM CCCOc1ccc(NC(=O)c2ccccc2CCC(=O)[O-])cc1 ZINC000909582976 1026704088 /nfs/dbraw/zinc/70/40/88/1026704088.db2.gz XNGBKNJEPOPUAM-UHFFFAOYSA-N -1 0 327.380 3.745 20 0 EHADRM CCOc1ccc(S(=O)(=O)C(C)=C([O-])c2ccc(C)c(C)c2)cc1 ZINC000487473659 1026765230 /nfs/dbraw/zinc/76/52/30/1026765230.db2.gz NBPXXUWOLRHNMX-OAHLLOKOSA-N -1 0 346.448 3.747 20 0 EHADRM CCc1cc(C(=O)N=c2nc(-c3ccccc3)[n-]s2)oc1CC ZINC000487474205 1026807647 /nfs/dbraw/zinc/80/76/47/1026807647.db2.gz HGFNTROJCJTVCY-UHFFFAOYSA-N -1 0 327.409 3.597 20 0 EHADRM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC000909593087 1026888625 /nfs/dbraw/zinc/88/86/25/1026888625.db2.gz SNWQUSIEFCVOCG-GUYCJALGSA-N -1 0 342.439 3.836 20 0 EHADRM CCCCOc1ccc(CN=c2nc(C(C)C)[n-]s2)cc1OC ZINC000531411080 1026889413 /nfs/dbraw/zinc/88/94/13/1026889413.db2.gz ZEWPAMXLXLQIQD-UHFFFAOYSA-N -1 0 335.473 3.883 20 0 EHADRM CSCCCCNC(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000531464209 1026941762 /nfs/dbraw/zinc/94/17/62/1026941762.db2.gz MBTDHELIAGZFGJ-UHFFFAOYSA-N -1 0 347.484 3.574 20 0 EHADRM O=S(=O)([N-]c1cncc(F)c1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000685006561 1027032154 /nfs/dbraw/zinc/03/21/54/1027032154.db2.gz BOHYUDPINBZUEO-UHFFFAOYSA-N -1 0 340.379 3.593 20 0 EHADRM O=S(=O)([N-]c1scnc1C1CC1)c1ccc(F)c2ncccc12 ZINC000342793617 1027095387 /nfs/dbraw/zinc/09/53/87/1027095387.db2.gz RARGVYLDOPFPNK-UHFFFAOYSA-N -1 0 349.412 3.509 20 0 EHADRM O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc([O-])c(Cl)c1 ZINC000273417170 1027420486 /nfs/dbraw/zinc/42/04/86/1027420486.db2.gz RCLVMFLFKAWMAS-YOEHRIQHSA-N -1 0 349.789 3.835 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@H](c2ccncc2)C2CCCC2)c1 ZINC000897312138 1027550853 /nfs/dbraw/zinc/55/08/53/1027550853.db2.gz XVMHQBNTHBFZTC-IBGZPJMESA-N -1 0 338.407 3.902 20 0 EHADRM [O-]c1ccc(-c2nc([C@@H]3COc4ccccc4O3)no2)cc1Cl ZINC000320920411 1027553826 /nfs/dbraw/zinc/55/38/26/1027553826.db2.gz HAHIVTKNSWHXLC-AWEZNQCLSA-N -1 0 330.727 3.608 20 0 EHADRM Cc1ccc2c(c1)[C@H](NC(=O)CC1(C(=O)[O-])CCCCC1)CCC2 ZINC000582761797 1027610928 /nfs/dbraw/zinc/61/09/28/1027610928.db2.gz SJHSJHWRWAPKIR-QGZVFWFLSA-N -1 0 329.440 3.914 20 0 EHADRM COc1ccc([C@H](CCO)N=c2nc(C3CCCCC3)[n-]s2)cc1 ZINC000420602100 1027639089 /nfs/dbraw/zinc/63/90/89/1027639089.db2.gz OGBZDEVFKSOGIH-INIZCTEOSA-N -1 0 347.484 3.552 20 0 EHADRM CO[C@H](C)c1nc(C)c(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)s1 ZINC000414462488 1027641251 /nfs/dbraw/zinc/64/12/51/1027641251.db2.gz ZPPSOXGCBRNXMM-MWLCHTKSSA-N -1 0 348.424 3.599 20 0 EHADRM Cc1c(S(=O)(=O)[N-]c2c(C)cc(C)nc2C)c2ccccc2n1C ZINC000414464169 1027671367 /nfs/dbraw/zinc/67/13/67/1027671367.db2.gz XWAQHOOOFJBOOU-UHFFFAOYSA-N -1 0 343.452 3.608 20 0 EHADRM COC(=O)c1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)[O-])o1 ZINC000503258993 1027691565 /nfs/dbraw/zinc/69/15/65/1027691565.db2.gz XRFWAEFPAJYBOV-KHPPLWFESA-N -1 0 349.342 3.799 20 0 EHADRM Cc1ccc(-c2noc(-c3ccc(N(C)CC(=O)[O-])cc3)n2)cc1C ZINC001211942851 1027770311 /nfs/dbraw/zinc/77/03/11/1027770311.db2.gz STKILOGHLBXQTP-UHFFFAOYSA-N -1 0 337.379 3.541 20 0 EHADRM COc1c(F)c(F)ccc1Nc1cc(S(=O)(=O)[O-])ccc1Cl ZINC001211900794 1027946451 /nfs/dbraw/zinc/94/64/51/1027946451.db2.gz NTYQJIVTZMNIJY-UHFFFAOYSA-N -1 0 349.742 3.617 20 0 EHADRM COc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000614866045 1027991430 /nfs/dbraw/zinc/99/14/30/1027991430.db2.gz RJERLELHZKEVNQ-UHFFFAOYSA-N -1 0 349.452 3.839 20 0 EHADRM COc1ccccc1N=c1[n-]nc(S[C@H](C)c2cccnc2)s1 ZINC000523242255 1028051983 /nfs/dbraw/zinc/05/19/83/1028051983.db2.gz PEFYOEDBOOXUNV-LLVKDONJSA-N -1 0 344.465 3.961 20 0 EHADRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000614839178 1028142812 /nfs/dbraw/zinc/14/28/12/1028142812.db2.gz MNTDUOCJAACIJF-UHFFFAOYSA-N -1 0 347.770 3.818 20 0 EHADRM CCOc1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1Cl ZINC000614841568 1028155384 /nfs/dbraw/zinc/15/53/84/1028155384.db2.gz VKKALOSAMTWPNN-UHFFFAOYSA-N -1 0 343.807 3.987 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2cncc(Br)c2)c1 ZINC001211958136 1028165050 /nfs/dbraw/zinc/16/50/50/1028165050.db2.gz BBQYHNZBTUJHEO-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM Cc1cc(Nc2cc(Cl)cc(C(=O)[O-])c2)n(CC(F)(F)F)n1 ZINC001211960958 1028192594 /nfs/dbraw/zinc/19/25/94/1028192594.db2.gz PRBMINIUJOYAAC-UHFFFAOYSA-N -1 0 333.697 3.849 20 0 EHADRM Nc1cc(C(F)(F)F)ncc1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211961200 1028198212 /nfs/dbraw/zinc/19/82/12/1028198212.db2.gz ZTJNOBHBZNZNKK-UHFFFAOYSA-N -1 0 331.681 3.778 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2ccc3nc(C4CC4)nn3c2)c1 ZINC001211963070 1028219493 /nfs/dbraw/zinc/21/94/93/1028219493.db2.gz WDAOSODTDXEDRW-UHFFFAOYSA-N -1 0 328.759 3.702 20 0 EHADRM Cc1cnn(-c2ccccc2)c1[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000091051819 1028246671 /nfs/dbraw/zinc/24/66/71/1028246671.db2.gz LCVXIXDTDBSBSL-UHFFFAOYSA-N -1 0 347.465 3.660 20 0 EHADRM COc1ccc(NC(C)=O)c(Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC001211965186 1028270993 /nfs/dbraw/zinc/27/09/93/1028270993.db2.gz SPURLSHFCIIRHL-UHFFFAOYSA-N -1 0 334.759 3.749 20 0 EHADRM COC(=O)c1cc(Nc2cc(Cl)cc(C(=O)[O-])c2)cc(OC)c1 ZINC001211966806 1028314361 /nfs/dbraw/zinc/31/43/61/1028314361.db2.gz MMGWVAARFPJXRK-UHFFFAOYSA-N -1 0 335.743 3.577 20 0 EHADRM C[C@@H]1CC[C@@H](NC(=O)N=c2[n-]nc(-c3ccsc3)s2)[C@H](C)C1 ZINC000502587958 1028381113 /nfs/dbraw/zinc/38/11/13/1028381113.db2.gz WDYNMJCONPECNA-CKYFFXLPSA-N -1 0 336.486 3.635 20 0 EHADRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1OCC(C)C ZINC000614863028 1028383565 /nfs/dbraw/zinc/38/35/65/1028383565.db2.gz GBTGQAUDPPOZIG-UHFFFAOYSA-N -1 0 337.416 3.970 20 0 EHADRM O=C([O-])CC1(CC(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)CCCC1 ZINC000487507724 1028392080 /nfs/dbraw/zinc/39/20/80/1028392080.db2.gz YFOPJODUNMORQB-CHWSQXEVSA-N -1 0 349.393 3.897 20 0 EHADRM O=S(=O)([N-]c1nccs1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000060486729 1028412828 /nfs/dbraw/zinc/41/28/28/1028412828.db2.gz WUCGAISZRYMWHQ-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)CSCCC(C)C)s[n-]1 ZINC000472274562 1028438739 /nfs/dbraw/zinc/43/87/39/1028438739.db2.gz HRSFIKFFPSOHKB-UHFFFAOYSA-N -1 0 341.527 3.715 20 0 EHADRM [O-]c1ccc(-c2nc(CCn3cnc4ccccc43)no2)cc1Cl ZINC000445208272 1028618309 /nfs/dbraw/zinc/61/83/09/1028618309.db2.gz XCEWYYNYUGKYSR-UHFFFAOYSA-N -1 0 340.770 3.688 20 0 EHADRM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000237087038 1028621005 /nfs/dbraw/zinc/62/10/05/1028621005.db2.gz NFRMGQHEVXFSHP-UHFFFAOYSA-N -1 0 338.190 3.964 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N2C[C@H](c3ccccc3)C[C@H]2C)s1 ZINC000523786620 1028621261 /nfs/dbraw/zinc/62/12/61/1028621261.db2.gz CUWNHNYSTKXWJP-UKRRQHHQSA-N -1 0 344.484 3.568 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)c1cc(C)n(C2CCCCC2)c1C)C(=O)[O-] ZINC000237052111 1028621435 /nfs/dbraw/zinc/62/14/35/1028621435.db2.gz CHVOXJITARLWFX-SJKOYZFVSA-N -1 0 334.460 3.839 20 0 EHADRM COc1ccc2cc([C@@H](C)C(=O)N(CC(=O)[O-])CC(C)C)ccc2c1 ZINC000237319707 1028648575 /nfs/dbraw/zinc/64/85/75/1028648575.db2.gz QRNSYSLJLFMIFF-CQSZACIVSA-N -1 0 343.423 3.521 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)Cc1cccc(Cl)c1 ZINC000237592110 1028657490 /nfs/dbraw/zinc/65/74/90/1028657490.db2.gz JEROEEVEZSNESN-MRXNPFEDSA-N -1 0 331.799 3.523 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1cccc(-n2cccc2)c1)c1ccccc1 ZINC000237632010 1028659576 /nfs/dbraw/zinc/65/95/76/1028659576.db2.gz QUMPYCGQRVWMDI-KXBFYZLASA-N -1 0 348.402 3.669 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000237834881 1028667755 /nfs/dbraw/zinc/66/77/55/1028667755.db2.gz SGOBYPGXXDTTSA-KRWDZBQOSA-N -1 0 349.386 3.701 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)CCCOc2ccccc2Cl)cc1 ZINC000242435455 1028693622 /nfs/dbraw/zinc/69/36/22/1028693622.db2.gz BKTZYEJRRYYRPD-UHFFFAOYSA-N -1 0 347.798 3.765 20 0 EHADRM Clc1cc(Cl)cc(-c2n[n-]c(=NC[C@H]3CCCO3)s2)c1 ZINC000504525624 1028712305 /nfs/dbraw/zinc/71/23/05/1028712305.db2.gz LENGCTTUSGOKHX-LLVKDONJSA-N -1 0 330.240 3.525 20 0 EHADRM Cc1cc(C([O-])=CS(=O)(=O)Cc2ccc(C(C)C)cc2)c(C)n1C ZINC000523931918 1028721929 /nfs/dbraw/zinc/72/19/29/1028721929.db2.gz BGWCKVCJTHZWFA-UHFFFAOYSA-N -1 0 347.480 3.563 20 0 EHADRM C[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)[C@H]1C(=O)[O-] ZINC000424260726 1028915015 /nfs/dbraw/zinc/91/50/15/1028915015.db2.gz PMDWQAPLNOQNHO-MEDUHNTESA-N -1 0 347.798 3.925 20 0 EHADRM Brc1cccc([C@H]2C[C@@H]2N=c2[n-]nc(C3CC3)s2)c1 ZINC000532883355 1028975432 /nfs/dbraw/zinc/97/54/32/1028975432.db2.gz IHWICXXSCNHHKR-NEPJUHHUSA-N -1 0 336.258 3.568 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2cccc(OC(F)F)c2)c(Cl)c1 ZINC001212064792 1028977372 /nfs/dbraw/zinc/97/73/72/1028977372.db2.gz IWZVYOLQKQTEQA-UHFFFAOYSA-N -1 0 349.742 3.932 20 0 EHADRM CCOc1cccc2cc([C@@H](C)NC(=O)[C@@](C)(CC)CC(=O)[O-])oc21 ZINC000634854608 1029023836 /nfs/dbraw/zinc/02/38/36/1029023836.db2.gz HVNUAGPCFAKXHP-BLVKFPJESA-N -1 0 347.411 3.900 20 0 EHADRM Cc1ccc(-c2ncccc2NC(=O)NCCC(C)(C)C(=O)[O-])s1 ZINC000424393185 1029028156 /nfs/dbraw/zinc/02/81/56/1029028156.db2.gz VUNKPLYJGBAJJD-UHFFFAOYSA-N -1 0 347.440 3.741 20 0 EHADRM Cc1csc(-c2cccc(NC(=O)NCCC(C)(C)C(=O)[O-])c2)n1 ZINC000424378324 1029036406 /nfs/dbraw/zinc/03/64/06/1029036406.db2.gz GDIXVHWVLPIBHV-UHFFFAOYSA-N -1 0 347.440 3.741 20 0 EHADRM CC(C)C[C@H](C)n1nccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000524297039 1029058206 /nfs/dbraw/zinc/05/82/06/1029058206.db2.gz CMLMARAVCISHIF-NSHDSACASA-N -1 0 343.399 3.569 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N(C)C[C@H](C)c2ccccc2)s1 ZINC000524306199 1029066217 /nfs/dbraw/zinc/06/62/17/1029066217.db2.gz SARDUYYANDLIQM-AWEZNQCLSA-N -1 0 346.500 3.960 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@H](C)c2cccc3ccccc32)s1 ZINC000503159388 1029100088 /nfs/dbraw/zinc/10/00/88/1029100088.db2.gz JTHDKLHYDLXUKM-GFCCVEGCSA-N -1 0 340.452 3.948 20 0 EHADRM C[C@@H](CN(C)C(=O)c1ccc(-c2ccc(Cl)cc2)s1)C(=O)[O-] ZINC000237413961 1029175179 /nfs/dbraw/zinc/17/51/79/1029175179.db2.gz VDISWJOAADGEOU-JTQLQIEISA-N -1 0 337.828 3.861 20 0 EHADRM CSCc1cccc([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000524625084 1029361311 /nfs/dbraw/zinc/36/13/11/1029361311.db2.gz PMWXCDLKQBAGIA-UHFFFAOYSA-N -1 0 329.393 3.629 20 0 EHADRM COc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000614865894 1029398209 /nfs/dbraw/zinc/39/82/09/1029398209.db2.gz ADFAYHYQNQAOLN-UHFFFAOYSA-N -1 0 349.452 3.900 20 0 EHADRM COc1ccc(N(C(=O)c2cccc(C(=O)[O-])c2)[C@@H](C)C2CC2)cc1 ZINC000237457341 1029458020 /nfs/dbraw/zinc/45/80/20/1029458020.db2.gz XGCRMMMMZSRNIQ-ZDUSSCGKSA-N -1 0 339.391 3.839 20 0 EHADRM CCCOc1ccc(NC(=O)c2cc(C(=O)[O-])c(CC)o2)c(C)c1 ZINC000261602276 1029458213 /nfs/dbraw/zinc/45/82/13/1029458213.db2.gz CEEROLBAHICKPW-UHFFFAOYSA-N -1 0 331.368 3.890 20 0 EHADRM CCc1oc(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)cc1C(=O)[O-] ZINC000261605415 1029460832 /nfs/dbraw/zinc/46/08/32/1029460832.db2.gz DITSXEKCZFMDKI-YPMHNXCESA-N -1 0 345.370 3.698 20 0 EHADRM CCc1oc(C(=O)N2CCCC[C@@H]2Cc2ccccc2)cc1C(=O)[O-] ZINC000261617996 1029475003 /nfs/dbraw/zinc/47/50/03/1029475003.db2.gz HGFATOFISVXEQO-OAHLLOKOSA-N -1 0 341.407 3.778 20 0 EHADRM CCc1oc(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC000261616662 1029475671 /nfs/dbraw/zinc/47/56/71/1029475671.db2.gz GUXBROBLRDTSCJ-GDBMZVCRSA-N -1 0 341.407 3.996 20 0 EHADRM CCCc1n[n-]c(=NC(=O)c2ccc([C@@H](C)C(F)(F)F)cc2)s1 ZINC000454946026 1029485995 /nfs/dbraw/zinc/48/59/95/1029485995.db2.gz SOUZFWUBNRXQJW-SECBINFHSA-N -1 0 343.374 3.831 20 0 EHADRM CCCc1n[n-]c(=NC(=O)c2ccc([C@H](C)C(F)(F)F)cc2)s1 ZINC000454946027 1029486668 /nfs/dbraw/zinc/48/66/68/1029486668.db2.gz SOUZFWUBNRXQJW-VIFPVBQESA-N -1 0 343.374 3.831 20 0 EHADRM Cc1nc(=NC(=O)C(C)(C)c2ccc(-c3ccccc3)cc2)s[n-]1 ZINC000505384800 1029503825 /nfs/dbraw/zinc/50/38/25/1029503825.db2.gz RHLHZPMLVUOOPP-UHFFFAOYSA-N -1 0 337.448 3.852 20 0 EHADRM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CC1(C(=O)[O-])CCC1 ZINC000262509347 1029599612 /nfs/dbraw/zinc/59/96/12/1029599612.db2.gz LXYZKVAQGQANLO-UHFFFAOYSA-N -1 0 344.238 3.987 20 0 EHADRM COc1cc(C)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000614866240 1029626426 /nfs/dbraw/zinc/62/64/26/1029626426.db2.gz UGERNJYSDFSQIU-UHFFFAOYSA-N -1 0 331.437 3.683 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC000262763706 1029631976 /nfs/dbraw/zinc/63/19/76/1029631976.db2.gz KQILLUFSUMRMIG-DOMZBBRYSA-N -1 0 327.355 3.542 20 0 EHADRM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000262833041 1029642158 /nfs/dbraw/zinc/64/21/58/1029642158.db2.gz BTVRRNMGPMQALZ-UPJWGTAASA-N -1 0 338.473 3.595 20 0 EHADRM C[C@H](CC1CCCC1)C(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1 ZINC000262863992 1029646436 /nfs/dbraw/zinc/64/64/36/1029646436.db2.gz IZWFJGLWYCRITR-JLSDUUJJSA-N -1 0 329.440 3.530 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)C(C)(C)c2ccccc2Cl)C1 ZINC000262886333 1029648287 /nfs/dbraw/zinc/64/82/87/1029648287.db2.gz HELMMHNEWBEIGT-SFHVURJKSA-N -1 0 337.847 3.577 20 0 EHADRM CC(C)c1ccc(C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1 ZINC000262952407 1029653313 /nfs/dbraw/zinc/65/33/13/1029653313.db2.gz QTTFNFUGGWKHQE-MOPGFXCFSA-N -1 0 337.419 3.750 20 0 EHADRM CCCSCC(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000262960432 1029653394 /nfs/dbraw/zinc/65/33/94/1029653394.db2.gz HZIXHWVNEAREKN-MRXNPFEDSA-N -1 0 331.437 3.615 20 0 EHADRM O=C(c1ccc(F)cc1[O-])N1CCn2c(cc3c2cccc3Cl)C1 ZINC000446512450 1029673106 /nfs/dbraw/zinc/67/31/06/1029673106.db2.gz LORJLONYWCWYIA-UHFFFAOYSA-N -1 0 344.773 3.795 20 0 EHADRM Cc1cc(C(=O)N[C@@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])c(C)o1 ZINC000263190471 1029673444 /nfs/dbraw/zinc/67/34/44/1029673444.db2.gz XRIHUQNYHUBEGT-YJBOKZPZSA-N -1 0 341.407 3.590 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1F ZINC000263206617 1029674777 /nfs/dbraw/zinc/67/47/77/1029674777.db2.gz MYXRIAYKNYHHBW-UHFFFAOYSA-N -1 0 327.355 3.584 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])s1 ZINC000263225230 1029676288 /nfs/dbraw/zinc/67/62/88/1029676288.db2.gz PWUQLRIGCFUCDM-ZDUSSCGKSA-N -1 0 331.437 3.722 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)[nH]n2)sc1Cl ZINC000231809878 1029678700 /nfs/dbraw/zinc/67/87/00/1029678700.db2.gz UNJCZXNAEJNDPA-UHFFFAOYSA-N -1 0 333.866 3.531 20 0 EHADRM CC[C@@]1(C)C[C@H]1C(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC000263247003 1029679906 /nfs/dbraw/zinc/67/99/06/1029679906.db2.gz UTODGUABYZBJMU-UGSOOPFHSA-N -1 0 344.436 3.561 20 0 EHADRM CCC[C@@H](CNC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000263284107 1029683879 /nfs/dbraw/zinc/68/38/79/1029683879.db2.gz ZBTJNWQCDZFAMF-AAEUAGOBSA-N -1 0 345.361 3.501 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)cc1 ZINC000263327306 1029689308 /nfs/dbraw/zinc/68/93/08/1029689308.db2.gz OYEQVGZAVXTMNV-LEWSCRJBSA-N -1 0 345.345 3.895 20 0 EHADRM CCc1c(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)[nH]c(C)c1C(C)=O ZINC000263340720 1029689572 /nfs/dbraw/zinc/68/95/72/1029689572.db2.gz RVTKRZBGGYLTDM-JTQLQIEISA-N -1 0 342.395 3.529 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000263367877 1029691200 /nfs/dbraw/zinc/69/12/00/1029691200.db2.gz WSQBHVHAUNJULE-UGSOOPFHSA-N -1 0 341.382 3.676 20 0 EHADRM C[C@@H](NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1cc2ccccc2s1 ZINC000263365793 1029691819 /nfs/dbraw/zinc/69/18/19/1029691819.db2.gz TVGOAMQKGIAKMI-BZPMIXESSA-N -1 0 346.452 3.715 20 0 EHADRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000263389808 1029692784 /nfs/dbraw/zinc/69/27/84/1029692784.db2.gz COJRPCPAFSXZJC-KQTLUZQSSA-N -1 0 335.831 3.593 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1ccccc1OC1CCCC1 ZINC000263470632 1029702927 /nfs/dbraw/zinc/70/29/27/1029702927.db2.gz HQRXETHQKPRFTA-UHFFFAOYSA-N -1 0 334.416 3.773 20 0 EHADRM CC(=C([O-])Nc1nc(-c2ccccc2)ns1)c1ccc(F)c(F)c1 ZINC000525146853 1029706703 /nfs/dbraw/zinc/70/67/03/1029706703.db2.gz OLLSQVBYHHSULO-SNVBAGLBSA-N -1 0 345.374 3.647 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000263525905 1029706660 /nfs/dbraw/zinc/70/66/60/1029706660.db2.gz JTXNPKCFNXWJES-AQNXPRMDSA-N -1 0 349.430 3.722 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)[C@@H](C)Cc1ccccc1Cl ZINC000263522019 1029707599 /nfs/dbraw/zinc/70/75/99/1029707599.db2.gz HQVPIOGCIOBLRR-SJCJKPOMSA-N -1 0 325.836 3.524 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2c(C(=O)[O-])cccc2C(C)C)c(C)c1 ZINC000511238715 1029717877 /nfs/dbraw/zinc/71/78/77/1029717877.db2.gz BWTHSWNWGBYNDP-UHFFFAOYSA-N -1 0 347.436 3.926 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccc(SC)cc2OC)s1 ZINC000446617807 1029727322 /nfs/dbraw/zinc/72/73/22/1029727322.db2.gz PIWYGLCSBVGPHA-UHFFFAOYSA-N -1 0 343.495 3.842 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)CC1CCC(C(=O)[O-])CC1)C(F)(F)F ZINC000565031414 1029742086 /nfs/dbraw/zinc/74/20/86/1029742086.db2.gz CKVXIICDKSDBJW-HTAVTVPLSA-N -1 0 337.382 3.751 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000232020991 1029745699 /nfs/dbraw/zinc/74/56/99/1029745699.db2.gz BWUPDONOXNQBGY-BDAKNGLRSA-N -1 0 332.158 3.738 20 0 EHADRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ncccc1C(C)C ZINC000446792971 1029795422 /nfs/dbraw/zinc/79/54/22/1029795422.db2.gz NPMPHAONFSQAHJ-UHFFFAOYSA-N -1 0 334.441 3.631 20 0 EHADRM C[C@@H]1C[C@H](C)CN1C(=O)N=c1[n-]nc(C(C)(C)c2ccccc2)s1 ZINC000525410513 1029840176 /nfs/dbraw/zinc/84/01/76/1029840176.db2.gz FNMVKQPMHLOGED-QWHCGFSZSA-N -1 0 344.484 3.548 20 0 EHADRM CCC1(CC)CCN(C(=O)N=c2[n-]nc(-c3ccsc3)s2)C1 ZINC000446909208 1029850040 /nfs/dbraw/zinc/85/00/40/1029850040.db2.gz WJDRQCIZCWTCQZ-UHFFFAOYSA-N -1 0 336.486 3.733 20 0 EHADRM Cc1ccc(CN=c2[n-]nc(Cc3ccc(F)cc3)o2)cc1Cl ZINC000446958746 1029865402 /nfs/dbraw/zinc/86/54/02/1029865402.db2.gz RPEKYQFERIGLQO-UHFFFAOYSA-N -1 0 331.778 3.795 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)nn2)cc1 ZINC000446967633 1029875810 /nfs/dbraw/zinc/87/58/10/1029875810.db2.gz WELISKWYQDAPBL-ZDUSSCGKSA-N -1 0 349.456 3.578 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2nc3ccc(C)cc3s2)c(C)c1 ZINC000615131076 1029882820 /nfs/dbraw/zinc/88/28/20/1029882820.db2.gz MVABFCCXFSPFMS-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)c2cc(Cl)ccc2C)c1 ZINC000555921079 1029907588 /nfs/dbraw/zinc/90/75/88/1029907588.db2.gz IZZPBXKGYGXGRT-INIZCTEOSA-N -1 0 347.798 3.603 20 0 EHADRM CO[C@H](C)c1nc(=N[C@@H](C)CCc2ccc(OC(C)C)cc2)s[n-]1 ZINC000509698700 1029977303 /nfs/dbraw/zinc/97/73/03/1029977303.db2.gz MFMXIEVTUAHJOO-UONOGXRCSA-N -1 0 349.500 3.888 20 0 EHADRM COc1ccc(Br)cc1NC(=O)c1c([O-])cccc1F ZINC000120475925 1030016770 /nfs/dbraw/zinc/01/67/70/1030016770.db2.gz FGNOYHGUDHHSNO-UHFFFAOYSA-N -1 0 340.148 3.555 20 0 EHADRM O=S(=O)([N-]c1ncc(-c2ccccc2)cn1)c1ccc(Cl)cc1 ZINC000481862942 1030054811 /nfs/dbraw/zinc/05/48/11/1030054811.db2.gz CKQFDIOPZAKJLX-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ncc(-c3ccccc3)cn2)cc1 ZINC000481877265 1030066262 /nfs/dbraw/zinc/06/62/62/1030066262.db2.gz WPGPAETUQWWUAQ-UHFFFAOYSA-N -1 0 339.420 3.507 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1ccc2c3c(cccc31)CC2 ZINC000120675531 1030066234 /nfs/dbraw/zinc/06/62/34/1030066234.db2.gz QHOOXLTWPBFGEZ-UHFFFAOYSA-N -1 0 345.445 3.809 20 0 EHADRM CCOc1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000074936797 1030066341 /nfs/dbraw/zinc/06/63/41/1030066341.db2.gz GXCFXKJGCJMDND-UHFFFAOYSA-N -1 0 329.780 3.679 20 0 EHADRM CC[C@@H]1CC[C@@H](C)N1C(=O)c1cc(Br)c(F)cc1[O-] ZINC000450580079 1030166402 /nfs/dbraw/zinc/16/64/02/1030166402.db2.gz FCVKLXACDJQXQR-RKDXNWHRSA-N -1 0 330.197 3.697 20 0 EHADRM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1nc(C(C)(C)C)co1 ZINC000550793083 1030175403 /nfs/dbraw/zinc/17/54/03/1030175403.db2.gz BCEIQHOQWCDBOR-UHFFFAOYSA-N -1 0 328.821 3.735 20 0 EHADRM CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ncc(C(=O)[O-])s1 ZINC000390108494 1030178276 /nfs/dbraw/zinc/17/82/76/1030178276.db2.gz BOHKFBFAEHHAJZ-OAHLLOKOSA-N -1 0 345.468 3.554 20 0 EHADRM C[C@@H]1CCC[C@H](C)N(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])C1 ZINC000447517312 1030242064 /nfs/dbraw/zinc/24/20/64/1030242064.db2.gz RVPPMQJQQVFJII-OLZOCXBDSA-N -1 0 347.846 3.882 20 0 EHADRM CC(C)Cn1nccc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000066249894 1030244115 /nfs/dbraw/zinc/24/41/15/1030244115.db2.gz YTHZHRZBHHXNQW-UHFFFAOYSA-N -1 0 348.255 3.647 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)cn1 ZINC000121322392 1030253334 /nfs/dbraw/zinc/25/33/34/1030253334.db2.gz QGZCDJBNMREFMF-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM CCC[C@H]1CCCN(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])C1 ZINC000447510659 1030256491 /nfs/dbraw/zinc/25/64/91/1030256491.db2.gz ZPOFUCBVOIRDKL-ZDUSSCGKSA-N -1 0 347.846 3.884 20 0 EHADRM CC[C@@H]1CCCN(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])CC1 ZINC000447510401 1030257408 /nfs/dbraw/zinc/25/74/08/1030257408.db2.gz YTKWLXVLWCZFJL-CYBMUJFWSA-N -1 0 347.846 3.884 20 0 EHADRM CC(C)[C@@H]1CCCN(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])C1 ZINC000447588904 1030322342 /nfs/dbraw/zinc/32/23/42/1030322342.db2.gz VUZZYSQSCHUVMY-CYBMUJFWSA-N -1 0 347.846 3.740 20 0 EHADRM COC[C@H](N=c1nc(CC(C)C)[n-]s1)c1cccc(Cl)c1 ZINC000583655828 1030386330 /nfs/dbraw/zinc/38/63/30/1030386330.db2.gz UMKGCBDRHYFIQN-ZDUSSCGKSA-N -1 0 325.865 3.612 20 0 EHADRM O=C(N[C@@H](c1cc(F)ccc1F)C(F)F)c1cc(F)c([O-])c(F)c1 ZINC000447722215 1030454985 /nfs/dbraw/zinc/45/49/85/1030454985.db2.gz IWCFLIRXLJSWLV-LBPRGKRZSA-N -1 0 349.230 3.685 20 0 EHADRM COc1ccc(C(=O)N=c2cc(-c3ccc(C)o3)[n-][nH]2)cc1C1CC1 ZINC000447799854 1030483337 /nfs/dbraw/zinc/48/33/37/1030483337.db2.gz MSZCOJZIMRVJGV-UHFFFAOYSA-N -1 0 337.379 3.538 20 0 EHADRM CSCc1cc(C(=O)N=c2cc(-c3ccc(C)o3)[n-][nH]2)ccc1F ZINC000447798917 1030484323 /nfs/dbraw/zinc/48/43/23/1030484323.db2.gz CHQCZMHQEAUDGE-UHFFFAOYSA-N -1 0 345.399 3.654 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)[C@H]3CCCc4sccc43)[nH][n-]2)o1 ZINC000447803383 1030503241 /nfs/dbraw/zinc/50/32/41/1030503241.db2.gz SMXYCIPFAYUOJM-LBPRGKRZSA-N -1 0 327.409 3.520 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)[C@@H]3CCCc4sccc43)[nH][n-]2)o1 ZINC000447803382 1030504338 /nfs/dbraw/zinc/50/43/38/1030504338.db2.gz SMXYCIPFAYUOJM-GFCCVEGCSA-N -1 0 327.409 3.520 20 0 EHADRM Cc1cccc(CC(=O)NCc2c(C(=O)[O-])sc3ccsc32)c1 ZINC000532262380 1030512029 /nfs/dbraw/zinc/51/20/29/1030512029.db2.gz OLTNRPRESKHMCT-UHFFFAOYSA-N -1 0 345.445 3.828 20 0 EHADRM CCS[C@@H]1CCC[C@@H]1NC(=O)c1cccc(Br)c1[O-] ZINC000532284691 1030534496 /nfs/dbraw/zinc/53/44/96/1030534496.db2.gz XPFFYMFHEOVTJV-NWDGAFQWSA-N -1 0 344.274 3.559 20 0 EHADRM CCCC[C@H](CC)C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000447898211 1030576739 /nfs/dbraw/zinc/57/67/39/1030576739.db2.gz SRCPQYBFUUBKAC-ZDUSSCGKSA-N -1 0 341.398 3.985 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)N[C@@H](CC)c1ccc(Cl)cc1 ZINC000583737391 1030583973 /nfs/dbraw/zinc/58/39/73/1030583973.db2.gz UHELCRQIHGQPOF-FZMZJTMJSA-N -1 0 326.824 3.686 20 0 EHADRM CCSc1n[n-]c(=NCc2ccc(Br)c(F)c2)s1 ZINC000447949287 1030599987 /nfs/dbraw/zinc/59/99/87/1030599987.db2.gz WNOCZXQFTSRRRP-UHFFFAOYSA-N -1 0 348.266 3.586 20 0 EHADRM COC1(CN=c2[n-]nc(SCc3ccccc3)s2)CCCC1 ZINC000447951103 1030601644 /nfs/dbraw/zinc/60/16/44/1030601644.db2.gz LOCNFEMWGSXKGA-UHFFFAOYSA-N -1 0 335.498 3.623 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccccc1C(C)C ZINC000527051237 1030604301 /nfs/dbraw/zinc/60/43/01/1030604301.db2.gz NQOSCXSRXJULNW-UHFFFAOYSA-N -1 0 333.409 3.617 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)c1cc(Cl)ccc1OC1CCCC1 ZINC000237525434 1030685627 /nfs/dbraw/zinc/68/56/27/1030685627.db2.gz ZLNJBOHHSDDGDF-NSHDSACASA-N -1 0 339.819 3.645 20 0 EHADRM COc1ccc(-c2nnsc2Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC001211597153 1030715161 /nfs/dbraw/zinc/71/51/61/1030715161.db2.gz SXFQQTXJYXXVRV-UHFFFAOYSA-N -1 0 341.392 3.964 20 0 EHADRM CC(C)n1cc(S(=O)(=O)[N-]c2ccccc2OC2CCCC2)cn1 ZINC000157658235 1030720510 /nfs/dbraw/zinc/72/05/10/1030720510.db2.gz KCYQQEBMPIYRQY-UHFFFAOYSA-N -1 0 349.456 3.586 20 0 EHADRM COC(=O)c1cc(Cl)sc1Nc1ccc(C)c(C(=O)[O-])c1 ZINC001211599492 1030850953 /nfs/dbraw/zinc/85/09/53/1030850953.db2.gz NNURNVGVFZGDEV-UHFFFAOYSA-N -1 0 325.773 3.938 20 0 EHADRM Cc1[nH]c2ccccc2c1CCNC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000194554593 1030853469 /nfs/dbraw/zinc/85/34/69/1030853469.db2.gz YYNDVLQPJZJYLZ-UHFFFAOYSA-N -1 0 346.789 3.947 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)N=c2[nH]n(CC(F)(F)F)cc2Cl)C1(C)C ZINC000648434001 1030908859 /nfs/dbraw/zinc/90/88/59/1030908859.db2.gz YFWIXONOOPHITR-KOLCDFICSA-N -1 0 349.784 3.698 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2CC[N@H+](Cc3cc(Cl)ccc3OC3CCCC3)C[C@@H]21 ZINC000902553497 1030950993 /nfs/dbraw/zinc/95/09/93/1030950993.db2.gz BOSCXQMGCWKFPY-SOLBZPMBSA-N -1 0 349.858 3.814 20 0 EHADRM COc1cc(Nc2ccc(C)c(C(=O)[O-])c2)ncc1C(F)(F)F ZINC001211601519 1031019394 /nfs/dbraw/zinc/01/93/94/1031019394.db2.gz AJHNUISBSCVQEI-UHFFFAOYSA-N -1 0 326.274 3.859 20 0 EHADRM Cc1ccc(-c2ocnc2C(=O)[N-]c2nnc(C(F)F)s2)cc1 ZINC000172886090 1031026098 /nfs/dbraw/zinc/02/60/98/1031026098.db2.gz PMNBPUIZLOOAHU-UHFFFAOYSA-N -1 0 336.323 3.691 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2cccc(Cl)c2F)no1 ZINC000476911094 1031065045 /nfs/dbraw/zinc/06/50/45/1031065045.db2.gz UQUKFXQVYGNGTR-UHFFFAOYSA-N -1 0 332.784 3.565 20 0 EHADRM C[C@@H]1CCC[C@@H](CC(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)C1 ZINC000080292141 1031130898 /nfs/dbraw/zinc/13/08/98/1031130898.db2.gz LOYSPTPCBYLDGF-NXEZZACHSA-N -1 0 346.430 3.518 20 0 EHADRM O=C(N=c1cc(-c2ccccc2F)o[nH]1)c1coc(-c2ccccc2)n1 ZINC000448492095 1031140066 /nfs/dbraw/zinc/14/00/66/1031140066.db2.gz KRVQRPYUGBFVRL-UHFFFAOYSA-N -1 0 349.321 3.810 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC000262901801 1031155372 /nfs/dbraw/zinc/15/53/72/1031155372.db2.gz ISRCYXAFELCXNS-INWMFGNUSA-N -1 0 349.427 3.706 20 0 EHADRM C[C@H](Oc1cccc(/C=C/c2ccc3cccc(O)c3n2)c1)C(=O)[O-] ZINC000477044614 1031213377 /nfs/dbraw/zinc/21/33/77/1031213377.db2.gz GYYRNVCJCILJGW-FROQITRMSA-N -1 0 335.359 3.963 20 0 EHADRM Cc1ccccc1-c1n[n-]c(=NCc2cc(Cl)cc3c2OCC3)o1 ZINC000551333872 1031232518 /nfs/dbraw/zinc/23/25/18/1031232518.db2.gz IZDBVLIYZBOGJQ-UHFFFAOYSA-N -1 0 341.798 3.667 20 0 EHADRM CCCOc1ccc(CNc2cc(C(=O)[O-])cc(OC)c2OC)cc1 ZINC000551422974 1031315078 /nfs/dbraw/zinc/31/50/78/1031315078.db2.gz MJKNGZMVWBADSZ-UHFFFAOYSA-N -1 0 345.395 3.803 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)/C=C/c2cc(Cl)ccc2Cl)C1 ZINC000315583178 1031408843 /nfs/dbraw/zinc/40/88/43/1031408843.db2.gz IRKIALAYRYRCPJ-GQOHGMTASA-N -1 0 342.222 3.720 20 0 EHADRM Cc1cccc([C@@H]2CCN(C(=O)CC3CCC(C(=O)[O-])CC3)C2)c1 ZINC000668298881 1031423717 /nfs/dbraw/zinc/42/37/17/1031423717.db2.gz MXOHDXQNMVTGMH-LEOMRAHMSA-N -1 0 329.440 3.592 20 0 EHADRM Cc1ccccc1-c1nc(=NCc2ncc(C(C)(C)C)o2)s[n-]1 ZINC000527914297 1031448743 /nfs/dbraw/zinc/44/87/43/1031448743.db2.gz LUNGAPIWIFLZNO-UHFFFAOYSA-N -1 0 328.441 3.833 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2csc3ccccc23)cc1F ZINC000484169293 1031482891 /nfs/dbraw/zinc/48/28/91/1031482891.db2.gz YAUHSOAKOKMUSU-UHFFFAOYSA-N -1 0 337.397 3.850 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCC[C@H]1COc1ccccc1 ZINC000151499536 1031494923 /nfs/dbraw/zinc/49/49/23/1031494923.db2.gz QFNBPLNXBJVIOY-ZDUSSCGKSA-N -1 0 349.789 3.868 20 0 EHADRM CSCC1CCN(Cc2occ(C(F)(F)F)c2C(=O)[O-])CC1 ZINC000903916738 1031566042 /nfs/dbraw/zinc/56/60/42/1031566042.db2.gz NBKFHNRGUDUNQP-UHFFFAOYSA-N -1 0 337.363 3.572 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2n[nH]c3cccc(F)c32)c1 ZINC000484430918 1031579813 /nfs/dbraw/zinc/57/98/13/1031579813.db2.gz KPYSXMRAXTVUOC-UHFFFAOYSA-N -1 0 333.388 3.626 20 0 EHADRM O=S(=O)([N-]c1cccc2[nH]cnc21)c1cccc(Cl)c1Cl ZINC000177675006 1031587738 /nfs/dbraw/zinc/58/77/38/1031587738.db2.gz RBAAGCBBVICETJ-UHFFFAOYSA-N -1 0 342.207 3.671 20 0 EHADRM COc1cc(C)cc(CNc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1OC ZINC000904015781 1031604356 /nfs/dbraw/zinc/60/43/56/1031604356.db2.gz XFBCZHWNDFTSMP-CQSZACIVSA-N -1 0 343.423 3.888 20 0 EHADRM Cc1cc(C(F)(F)F)ccc1C(=O)N=c1[n-]nc(C(C)C)s1 ZINC000448763913 1031616645 /nfs/dbraw/zinc/61/66/45/1031616645.db2.gz ZYCLKDDUBJQIFH-UHFFFAOYSA-N -1 0 329.347 3.663 20 0 EHADRM Cc1cccnc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C ZINC000178182597 1031638190 /nfs/dbraw/zinc/63/81/90/1031638190.db2.gz MOROKISPBFHGTB-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2cc(C)c(F)cc2F)c1 ZINC000084650112 1031663184 /nfs/dbraw/zinc/66/31/84/1031663184.db2.gz VHFOHZCMLUNSPD-LLVKDONJSA-N -1 0 341.379 3.781 20 0 EHADRM CC[C@@H](NCc1cc2cc(C)c(C)cc2o1)c1nc(C(=O)[O-])c[nH]1 ZINC000904063909 1031690192 /nfs/dbraw/zinc/69/01/92/1031690192.db2.gz FZXVKDKUFQXQPJ-CQSZACIVSA-N -1 0 327.384 3.712 20 0 EHADRM Cc1cccc(C)c1C[C@H](NCc1ncc(C(C)C)s1)C(=O)[O-] ZINC000904071373 1031698336 /nfs/dbraw/zinc/69/83/36/1031698336.db2.gz ASUDDCOJSKIPCV-HNNXBMFYSA-N -1 0 332.469 3.669 20 0 EHADRM CSc1ccccc1[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000475741972 1031760726 /nfs/dbraw/zinc/76/07/26/1031760726.db2.gz YYUIIFUVDGFRBI-UHFFFAOYSA-N -1 0 329.393 3.796 20 0 EHADRM CO[C@]1(c2noc(-c3cc(Cl)cc(Cl)c3[O-])n2)CCSC1 ZINC000904161475 1031783473 /nfs/dbraw/zinc/78/34/73/1031783473.db2.gz VHCJYSXVZBPFHU-CYBMUJFWSA-N -1 0 347.223 3.728 20 0 EHADRM CN(Cc1cc2ccccc2o1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000180112999 1031802498 /nfs/dbraw/zinc/80/24/98/1031802498.db2.gz WCIVNRRSJUWVJI-UHFFFAOYSA-N -1 0 335.281 3.828 20 0 EHADRM Cc1ccc(F)c(NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)c1 ZINC000904199688 1031848082 /nfs/dbraw/zinc/84/80/82/1031848082.db2.gz RLCHKGILCOYTJF-UHFFFAOYSA-N -1 0 332.375 3.640 20 0 EHADRM O=C([O-])N[C@@H]1C[C@@H](Nc2ccccc2OCC(F)(F)F)C12CCC2 ZINC000904200105 1031848454 /nfs/dbraw/zinc/84/84/54/1031848454.db2.gz RARQLJXEKCGOIF-CHWSQXEVSA-N -1 0 344.333 3.618 20 0 EHADRM O=C([O-])N[C@H]1C[C@H](Nc2ccc(SC(F)F)cc2)C12CCC2 ZINC000904199659 1031848561 /nfs/dbraw/zinc/84/85/61/1031848561.db2.gz QPISSESBRJQYNA-RYUDHWBXSA-N -1 0 328.384 3.992 20 0 EHADRM Cc1ncc(-c2ccc(N[C@H]3C[C@H](NC(=O)[O-])C34CCC4)cc2)o1 ZINC000904200094 1031848828 /nfs/dbraw/zinc/84/88/28/1031848828.db2.gz QTGNSXLTCGFORM-HOTGVXAUSA-N -1 0 327.384 3.641 20 0 EHADRM CCc1c(N[C@H]2C[C@H](NC(=O)[O-])C23CCC3)cnn1C(CC)CC ZINC000904234138 1031882825 /nfs/dbraw/zinc/88/28/25/1031882825.db2.gz DYJYMKZAGKCTFP-HOTGVXAUSA-N -1 0 334.464 3.797 20 0 EHADRM CCCC1CCC(N(C)C(=O)N=c2ccc(C(F)(F)F)n[n-]2)CC1 ZINC000484769227 1031944792 /nfs/dbraw/zinc/94/47/92/1031944792.db2.gz JOPXUNXMSXBBSB-UHFFFAOYSA-N -1 0 344.381 3.740 20 0 EHADRM C[C@@H](CC(=O)N[C@@](C)(CC(=O)[O-])c1cccc(F)c1)c1ccccc1 ZINC000449001898 1031999278 /nfs/dbraw/zinc/99/92/78/1031999278.db2.gz LQOADMCOMAKVRK-XOBRGWDASA-N -1 0 343.398 3.826 20 0 EHADRM C[C@H](NC(=O)Cc1ccc(C(=O)[O-])cc1)c1nc(C(C)(C)C)cs1 ZINC000448986198 1032014712 /nfs/dbraw/zinc/01/47/12/1032014712.db2.gz ABVNJMWVHNCZJR-NSHDSACASA-N -1 0 346.452 3.559 20 0 EHADRM CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(C)cc1 ZINC000484850534 1032017027 /nfs/dbraw/zinc/01/70/27/1032017027.db2.gz ONUUPEFBAPQPQK-UHFFFAOYSA-N -1 0 347.436 3.689 20 0 EHADRM O=C([N-]c1ccc(F)c(F)c1F)c1noc(-c2cccc(F)c2)n1 ZINC000607995329 1033432834 /nfs/dbraw/zinc/43/28/34/1033432834.db2.gz VTUJBRKJCWGMJW-UHFFFAOYSA-N -1 0 337.232 3.545 20 0 EHADRM CC(C)(C)c1ccc([C@H]([N-]S(=O)(=O)C2CC2)C(F)(F)F)cc1 ZINC000608021822 1033442355 /nfs/dbraw/zinc/44/23/55/1033442355.db2.gz RMPMTZSQAQDZTA-ZDUSSCGKSA-N -1 0 335.391 3.669 20 0 EHADRM COCc1ccccc1NC(=O)c1ccc(Br)cc1[O-] ZINC000044491090 1033499359 /nfs/dbraw/zinc/49/93/59/1033499359.db2.gz SGEHUIMFBRAIGJ-UHFFFAOYSA-N -1 0 336.185 3.553 20 0 EHADRM CC(C)(C)c1nc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2F)cs1 ZINC000574888341 1033673225 /nfs/dbraw/zinc/67/32/25/1033673225.db2.gz UTZSDBFAVKSSOW-CYBMUJFWSA-N -1 0 340.395 3.634 20 0 EHADRM CCC(CC)(CNC(=O)c1sc2ccc(OC)cc2c1C)C(=O)[O-] ZINC000236902744 1033732415 /nfs/dbraw/zinc/73/24/15/1033732415.db2.gz JENTUBVQYYJJKL-UHFFFAOYSA-N -1 0 349.452 3.839 20 0 EHADRM CCC[C@H]1[C@@H](C)CCCN1C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000550651755 1033823005 /nfs/dbraw/zinc/82/30/05/1033823005.db2.gz PUZIQKDBAUBTSF-BBRMVZONSA-N -1 0 345.418 3.758 20 0 EHADRM CCOC(=O)c1cc(C(=O)[N-]c2ccccc2SC(C)C)on1 ZINC000450167437 1033836941 /nfs/dbraw/zinc/83/69/41/1033836941.db2.gz DQUMGLFTOOHFKV-UHFFFAOYSA-N -1 0 334.397 3.604 20 0 EHADRM Cc1ccc(-c2nc(CN(CC(=O)[O-])c3ccccc3)cs2)o1 ZINC000347351971 1033894181 /nfs/dbraw/zinc/89/41/81/1033894181.db2.gz ODACSFJRSIPVGR-UHFFFAOYSA-N -1 0 328.393 3.803 20 0 EHADRM O=C(C=Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000046928681 1033897069 /nfs/dbraw/zinc/89/70/69/1033897069.db2.gz IOZTXNLQACPBEI-SOFGYWHQSA-N -1 0 327.814 3.760 20 0 EHADRM Cc1ccc(C)c(NC(=S)[N-]c2ccccc2SCC(N)=O)c1 ZINC000061251112 1033897226 /nfs/dbraw/zinc/89/72/26/1033897226.db2.gz ZFFIETQUNQTUHQ-UHFFFAOYSA-N -1 0 345.493 3.690 20 0 EHADRM O=S(=O)(Cc1ccccc1)[N-][C@H](c1ccc(F)cc1)C(F)(F)F ZINC000118435298 1034009769 /nfs/dbraw/zinc/00/97/69/1034009769.db2.gz VYKBXAUSRYBDTQ-CQSZACIVSA-N -1 0 347.333 3.549 20 0 EHADRM CC(C)Cn1ncc(NC(=O)Cc2ccc(O)c(F)c2)c1C(F)F ZINC000450293049 1034068798 /nfs/dbraw/zinc/06/87/98/1034068798.db2.gz ZNSDIKUEFOQJJT-UHFFFAOYSA-N -1 0 341.333 3.503 20 0 EHADRM Cc1ncc(-c2ccccc2)cc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000534058768 1034084754 /nfs/dbraw/zinc/08/47/54/1034084754.db2.gz POCDUMPSRHBDCH-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000119163246 1034090475 /nfs/dbraw/zinc/09/04/75/1034090475.db2.gz SRUDRPOAMIWRJS-QLJPJBMISA-N -1 0 349.789 3.649 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000255670135 1034092104 /nfs/dbraw/zinc/09/21/04/1034092104.db2.gz SYMIQGNFZODFJI-SZNGSJQDSA-N -1 0 327.355 3.741 20 0 EHADRM CC(C)[C@@H]1CCCN(C(=O)c2nn(-c3ccccc3F)cc2[O-])CC1 ZINC000604088489 1034200509 /nfs/dbraw/zinc/20/05/09/1034200509.db2.gz CEEOOZNCMSRXKG-CQSZACIVSA-N -1 0 345.418 3.615 20 0 EHADRM C[C@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000534206741 1034234217 /nfs/dbraw/zinc/23/42/17/1034234217.db2.gz JCBOXOWCGJSLBM-CYBMUJFWSA-N -1 0 347.484 3.952 20 0 EHADRM C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1c([O-])cccc1F ZINC000119899655 1034269139 /nfs/dbraw/zinc/26/91/39/1034269139.db2.gz VXWQAFGMWYVPSU-SNVBAGLBSA-N -1 0 330.384 3.974 20 0 EHADRM O=C([O-])CCOc1cccc(/C=C2\C(=O)Nc3cc(Cl)ccc32)c1 ZINC000060212488 1034295456 /nfs/dbraw/zinc/29/54/56/1034295456.db2.gz XBSQQFYKTFKKDF-DHDCSXOGSA-N -1 0 343.766 3.686 20 0 EHADRM CCCCOC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000061495431 1034309472 /nfs/dbraw/zinc/30/94/72/1034309472.db2.gz NFBCYIFZTGGSEC-UHFFFAOYSA-N -1 0 339.438 3.506 20 0 EHADRM Cc1ccccc1Oc1ccccc1CNC(=O)CC(C)(C)C(=O)[O-] ZINC000604413627 1034369766 /nfs/dbraw/zinc/36/97/66/1034369766.db2.gz VUUGWULDRZRLPA-UHFFFAOYSA-N -1 0 341.407 3.904 20 0 EHADRM O=C([O-])COc1cccc(-c2cc(F)ccc2OC[C@H]2CCCO2)c1 ZINC000514873020 1034381904 /nfs/dbraw/zinc/38/19/04/1034381904.db2.gz JXVHCRVNBCORII-MRXNPFEDSA-N -1 0 346.354 3.514 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2C)cnc1Cl ZINC000228020013 1034427674 /nfs/dbraw/zinc/42/76/74/1034427674.db2.gz RYIUYQOEGVXRLR-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM O=C(N=c1nc(-c2ccsc2)[n-]s1)[C@H]1CCCc2ccccc21 ZINC000596898315 1034431429 /nfs/dbraw/zinc/43/14/29/1034431429.db2.gz MPVPICJNOLLCCR-AWEZNQCLSA-N -1 0 341.461 3.747 20 0 EHADRM CC1(c2nc(=NC(=O)c3cccc(Cl)c3Cl)s[n-]2)CC1 ZINC000529704575 1034453371 /nfs/dbraw/zinc/45/33/71/1034453371.db2.gz ZEWIRUHIHSNVPG-UHFFFAOYSA-N -1 0 328.224 3.571 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)c1cc2c(s1)-c1ccccc1CC2 ZINC000604708978 1034462337 /nfs/dbraw/zinc/46/23/37/1034462337.db2.gz BAAONKRDJUZHCH-UHFFFAOYSA-N -1 0 347.443 3.855 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000450529970 1034485828 /nfs/dbraw/zinc/48/58/28/1034485828.db2.gz BHCSDOUQBLOSAC-OCCSQVGLSA-N -1 0 329.421 3.855 20 0 EHADRM CCC[C@@H](CC1CCCC1)C(=O)N=c1nc(-c2cccnc2)[n-]s1 ZINC000534439891 1034543359 /nfs/dbraw/zinc/54/33/59/1034543359.db2.gz GJDNVURBPRFNNY-AWEZNQCLSA-N -1 0 344.484 3.957 20 0 EHADRM c1c(CN=c2[n-]nc(-c3ccccc3)s2)onc1-c1ccccc1 ZINC000601505133 1034559629 /nfs/dbraw/zinc/55/96/29/1034559629.db2.gz PRGYEQIMEGWGGO-UHFFFAOYSA-N -1 0 334.404 3.894 20 0 EHADRM O=C([O-])CCCCC(=O)NCC1(Cc2ccccc2)CCCCC1 ZINC000597161269 1034572341 /nfs/dbraw/zinc/57/23/41/1034572341.db2.gz KOUKPMYQKHWCBK-UHFFFAOYSA-N -1 0 331.456 3.941 20 0 EHADRM O=C(C=Cc1ccccc1F)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000060489283 1034623120 /nfs/dbraw/zinc/62/31/20/1034623120.db2.gz AMDSSYWTRPEYJY-BJMVGYQFSA-N -1 0 339.775 3.838 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)c2cc3ccccc3o2)c1 ZINC000060497590 1034627913 /nfs/dbraw/zinc/62/79/13/1034627913.db2.gz PLPMPEOENCHWKZ-UHFFFAOYSA-N -1 0 329.377 3.743 20 0 EHADRM Cn1[n-]c(C(=O)Nc2cccc(CSC3CCCCC3)c2)cc1=O ZINC000597260993 1034633718 /nfs/dbraw/zinc/63/37/18/1034633718.db2.gz ISCFZIYNQVUMMH-UHFFFAOYSA-N -1 0 345.468 3.944 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-])cc1Cl ZINC000601983600 1034846667 /nfs/dbraw/zinc/84/66/67/1034846667.db2.gz GUPSCXFKKRZITQ-NXEZZACHSA-N -1 0 345.848 3.661 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@H](C)S[C@H](C)C(=O)[O-])c1cccs1 ZINC000601983018 1034847660 /nfs/dbraw/zinc/84/76/60/1034847660.db2.gz FEDNDFRXTSTQAM-TUAOUCFPSA-N -1 0 329.487 3.546 20 0 EHADRM CCCOc1ccc(NC(=O)[C@H](C)S[C@H](C)C(=O)[O-])cc1Cl ZINC000601985987 1034848893 /nfs/dbraw/zinc/84/88/93/1034848893.db2.gz NBGKIHRHNBIYCN-VHSXEESVSA-N -1 0 345.848 3.662 20 0 EHADRM O=C([O-])[C@H]1c2ccoc2CCN1Cc1csc(C2CCCC2)n1 ZINC000530165900 1035014036 /nfs/dbraw/zinc/01/40/36/1035014036.db2.gz JRYPANVXJCOFLX-OAHLLOKOSA-N -1 0 332.425 3.578 20 0 EHADRM CCCCn1ncc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c1C ZINC000451022892 1035020644 /nfs/dbraw/zinc/02/06/44/1035020644.db2.gz JJZOFNMBUHFLGK-UHFFFAOYSA-N -1 0 333.457 3.670 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)[C@H]1CCC[C@H]1C(=O)[O-] ZINC000317068098 1035241226 /nfs/dbraw/zinc/24/12/26/1035241226.db2.gz WFNKTESZDIGGJF-NWDGAFQWSA-N -1 0 325.792 3.568 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)NCc2ccc([C@H]3C[C@@H]3C)o2)s1 ZINC000613001784 1035347002 /nfs/dbraw/zinc/34/70/02/1035347002.db2.gz YWZQZZHMGOSSFZ-GWCFXTLKSA-N -1 0 348.472 3.902 20 0 EHADRM CC[C@H](CNC(=O)c1cc(F)c(F)c([O-])c1F)CC(F)(F)F ZINC000414014133 1035364084 /nfs/dbraw/zinc/36/40/84/1035364084.db2.gz WYKHZDQDSHFAJH-LURJTMIESA-N -1 0 329.240 3.518 20 0 EHADRM CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2cc(F)c(F)c([O-])c2F)C1(C)C ZINC000414041414 1035395810 /nfs/dbraw/zinc/39/58/10/1035395810.db2.gz KPGBAHPUFXCVLO-WDEREUQCSA-N -1 0 345.361 3.522 20 0 EHADRM O=S(=O)([N-]c1cccc2ccncc21)c1cnc2ccccc2c1 ZINC000548996094 1035417725 /nfs/dbraw/zinc/41/77/25/1035417725.db2.gz HSXDMJCBZKJFMX-UHFFFAOYSA-N -1 0 335.388 3.584 20 0 EHADRM CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1N=c1[n-]nc(C(F)F)s1 ZINC000376234112 1035484811 /nfs/dbraw/zinc/48/48/11/1035484811.db2.gz BEAJNBMDTDXAKW-FRRDWIJNSA-N -1 0 339.411 3.661 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NCC[C@H](c1ccccc1)C(F)(F)F ZINC000414100561 1035497285 /nfs/dbraw/zinc/49/72/85/1035497285.db2.gz RPMCTDSGPOKGAS-CYBMUJFWSA-N -1 0 345.361 3.730 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2ccc(C)cn2)cc1Cl ZINC000185615001 1035501990 /nfs/dbraw/zinc/50/19/90/1035501990.db2.gz PJWALBIRUWYFDF-UHFFFAOYSA-N -1 0 328.846 3.566 20 0 EHADRM C[C@@](Cc1ccccc1)(NC(=O)c1cc(F)c(F)c([O-])c1F)C1CC1 ZINC000457011159 1035640635 /nfs/dbraw/zinc/64/06/35/1035640635.db2.gz HASNGZGPRUCKHJ-IBGZPJMESA-N -1 0 349.352 3.951 20 0 EHADRM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)c1ccc2ccccc2c1 ZINC000187530730 1035833552 /nfs/dbraw/zinc/83/35/52/1035833552.db2.gz CLCWVDCXOBZHHZ-UHFFFAOYSA-N -1 0 349.386 3.575 20 0 EHADRM CC[C@H](c1n[n-]c(=NC(=O)N2[C@H](C)C[C@@H]2C)s1)c1ccccc1 ZINC000571970446 1035854230 /nfs/dbraw/zinc/85/42/30/1035854230.db2.gz WKBZJJOJBPKNLI-SCRDCRAPSA-N -1 0 330.457 3.517 20 0 EHADRM CCc1cc(=O)[nH]c(SCc2ncc(-c3ccc(Cl)cc3)o2)n1 ZINC000188092684 1035893669 /nfs/dbraw/zinc/89/36/69/1035893669.db2.gz CUAAJVFBTFYKCA-UHFFFAOYSA-N -1 0 347.827 3.933 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(F)c(F)c1[O-])[C@H]1OCCc2sccc21 ZINC000457319164 1035950911 /nfs/dbraw/zinc/95/09/11/1035950911.db2.gz WCMRECOAYIPFCD-ANRSDYALSA-N -1 0 339.363 3.621 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N[C@H](CC(=O)[O-])c2ccccc2)o1 ZINC000327295466 1036035883 /nfs/dbraw/zinc/03/58/83/1036035883.db2.gz OIMDQCQHEFNKNP-XOKHGSTOSA-N -1 0 341.407 3.668 20 0 EHADRM O=[N+]([O-])c1ccc([O-])c(/C=N/Cc2csc(Br)c2)c1 ZINC000032070784 1036041523 /nfs/dbraw/zinc/04/15/23/1036041523.db2.gz CFHZOWRPCNEFAZ-MKMNVTDBSA-N -1 0 341.186 3.744 20 0 EHADRM Cc1n[n-]c(=NC(=O)N2CCCCC[C@H]2/C=C\c2cccs2)s1 ZINC000541202960 1036076784 /nfs/dbraw/zinc/07/67/84/1036076784.db2.gz SZFWLJFZQJEEOS-YXVBKTCISA-N -1 0 348.497 3.820 20 0 EHADRM CCCc1sc(C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cc1CC ZINC000541214101 1036092211 /nfs/dbraw/zinc/09/22/11/1036092211.db2.gz BTFCCWZXCXTCJV-SCLBCKFNSA-N -1 0 335.469 3.590 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H]1C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000321646465 1036107732 /nfs/dbraw/zinc/10/77/32/1036107732.db2.gz KGUYONTWIPBEIG-CABCVRRESA-N -1 0 349.477 3.839 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2cccc(SC(F)F)c2)C1 ZINC000263130478 1036277320 /nfs/dbraw/zinc/27/73/20/1036277320.db2.gz NCDRUFKQPUVOAY-UWVGGRQHSA-N -1 0 344.383 3.576 20 0 EHADRM CC(C)Cn1nccc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000589265218 1036319664 /nfs/dbraw/zinc/31/96/64/1036319664.db2.gz HQQZQFZTVWMTCU-UHFFFAOYSA-N -1 0 348.255 3.647 20 0 EHADRM Cc1cccc2sc([N-]S(=O)(=O)c3cccc(F)c3F)nc21 ZINC000589264615 1036327708 /nfs/dbraw/zinc/32/77/08/1036327708.db2.gz UAIXRQPHRXUZDJ-UHFFFAOYSA-N -1 0 340.376 3.684 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OC(C)C)cc1F ZINC000589437562 1036413618 /nfs/dbraw/zinc/41/36/18/1036413618.db2.gz WGFGVXYWOSQRIK-UHFFFAOYSA-N -1 0 341.379 3.861 20 0 EHADRM C/C=C/C[C@H](NC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1)C(=O)[O-] ZINC000572702901 1036461577 /nfs/dbraw/zinc/46/15/77/1036461577.db2.gz DZDOXSLDTWNEDU-FYJFLYSWSA-N -1 0 345.399 3.666 20 0 EHADRM CCOc1ccccc1CCC(=O)Nc1cc(C)c(C)c(C(=O)[O-])c1 ZINC000393065125 1036470498 /nfs/dbraw/zinc/47/04/98/1036470498.db2.gz WWNKXQLMYZCAQI-UHFFFAOYSA-N -1 0 341.407 3.972 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)N[C@@H]1CCC(C)(C)c2ccccc21)C1CCC1 ZINC000572821294 1036507679 /nfs/dbraw/zinc/50/76/79/1036507679.db2.gz VBAAMXKXCPESCN-CXAGYDPISA-N -1 0 344.455 3.836 20 0 EHADRM O=S(=O)([N-]c1nc2c(s1)CCCC2)c1cccc2ccoc21 ZINC000572830007 1036512139 /nfs/dbraw/zinc/51/21/39/1036512139.db2.gz NXQXCOHQDHXVPS-UHFFFAOYSA-N -1 0 334.422 3.569 20 0 EHADRM CN(Cc1nc(=O)c2sccc2[n-]1)c1nccc2sccc21 ZINC000685902855 1036517743 /nfs/dbraw/zinc/51/77/43/1036517743.db2.gz DEEUTTKDYWLIJE-UHFFFAOYSA-N -1 0 328.422 3.643 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)c2nn(-c3ccccc3)cc2[O-])c1 ZINC000175916553 1036522080 /nfs/dbraw/zinc/52/20/80/1036522080.db2.gz ZZLSSYYLLFFTJH-CYBMUJFWSA-N -1 0 337.379 3.538 20 0 EHADRM CCc1nnc(-c2ccc(NC(=O)c3ccc([O-])c(Cl)c3)cc2)o1 ZINC000175806912 1036580879 /nfs/dbraw/zinc/58/08/79/1036580879.db2.gz ZZIHXSIZVOQSRO-UHFFFAOYSA-N -1 0 343.770 3.910 20 0 EHADRM Cc1ccccc1C[C@@H]1CCCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000541733157 1036600005 /nfs/dbraw/zinc/60/00/05/1036600005.db2.gz JWLUVGNIOQRGBT-ZDUSSCGKSA-N -1 0 349.352 3.965 20 0 EHADRM O=C(Nc1cccc(Oc2cccnn2)c1)c1ccc(Cl)cc1[O-] ZINC000175908505 1036610603 /nfs/dbraw/zinc/61/06/03/1036610603.db2.gz ZXZLHWBGGIFJOR-UHFFFAOYSA-N -1 0 341.754 3.880 20 0 EHADRM CCOC(=O)c1ccc(NC(=O)C[C@@H](C)c2ccccc2)c(O)c1 ZINC000535542652 1036619528 /nfs/dbraw/zinc/61/95/28/1036619528.db2.gz NRYFMTIHQZBFJZ-CYBMUJFWSA-N -1 0 327.380 3.701 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1ccc2nc(C3CC3)oc2c1 ZINC000175973877 1036656250 /nfs/dbraw/zinc/65/62/50/1036656250.db2.gz IVWGBJMBTAEBTB-UHFFFAOYSA-N -1 0 344.392 3.515 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000589936911 1036667756 /nfs/dbraw/zinc/66/77/56/1036667756.db2.gz VRUSMLDYKGXZIN-UHFFFAOYSA-N -1 0 329.425 3.873 20 0 EHADRM [O-]c1c(Cl)cc(CN2CC[C@]3(C2)CC(F)(F)CO3)cc1Cl ZINC001140832043 1036700459 /nfs/dbraw/zinc/70/04/59/1036700459.db2.gz COJCVWAFLXUHOV-CYBMUJFWSA-N -1 0 338.181 3.699 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N([C@H](C)C2CC2)C2CC2)n1 ZINC000666278536 1036735076 /nfs/dbraw/zinc/73/50/76/1036735076.db2.gz PPXOOCQTZLKYKW-CYBMUJFWSA-N -1 0 339.439 3.543 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000263285586 1036749907 /nfs/dbraw/zinc/74/99/07/1036749907.db2.gz XZBLLONAKKBCAZ-LBPRGKRZSA-N -1 0 337.391 3.519 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000263285585 1036750242 /nfs/dbraw/zinc/75/02/42/1036750242.db2.gz XZBLLONAKKBCAZ-GFCCVEGCSA-N -1 0 337.391 3.519 20 0 EHADRM Cc1ccc(C)c([N-]S(=O)(=O)c2cnc3onc(C4CC4)c3c2)c1 ZINC000666295429 1036769146 /nfs/dbraw/zinc/76/91/46/1036769146.db2.gz UVJBIOZMHRCDBL-UHFFFAOYSA-N -1 0 343.408 3.518 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)Nc2cc(SC)ccc2C)s1 ZINC000539445549 1036769443 /nfs/dbraw/zinc/76/94/43/1036769443.db2.gz WICDXNHQTFVTIT-UHFFFAOYSA-N -1 0 336.486 3.977 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)cc1 ZINC000263325736 1036777169 /nfs/dbraw/zinc/77/71/69/1036777169.db2.gz KJWLNIQKLZZQSW-HXUWFJFHSA-N -1 0 349.430 3.996 20 0 EHADRM CC(C)[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1F ZINC000263333947 1036793673 /nfs/dbraw/zinc/79/36/73/1036793673.db2.gz QMGHLEHDCIMBOS-ZETOZRRWSA-N -1 0 341.810 3.793 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000263348985 1036798986 /nfs/dbraw/zinc/79/89/86/1036798986.db2.gz OWFSBJQGZZLUMF-QGZVFWFLSA-N -1 0 343.810 3.944 20 0 EHADRM CC[C@H](C)N(Cc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263374393 1036820801 /nfs/dbraw/zinc/82/08/01/1036820801.db2.gz ZVPAPHFPVVBXAL-HNNXBMFYSA-N -1 0 340.423 3.895 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc(Cl)cc(Br)c2[O-])[C@H]1C ZINC000176318781 1036858980 /nfs/dbraw/zinc/85/89/80/1036858980.db2.gz IQCRZKSSYZNOAL-YUMQZZPRSA-N -1 0 332.625 3.679 20 0 EHADRM CCOC(=O)c1csc(=N[C@@H](C)c2cccc(C(F)(F)F)c2)[n-]1 ZINC000590568593 1036951198 /nfs/dbraw/zinc/95/11/98/1036951198.db2.gz IOJGEMNWAVZUKN-VIFPVBQESA-N -1 0 344.358 3.934 20 0 EHADRM Cc1cc(-c2ncccc2NC(=O)NCc2ncccc2O)cs1 ZINC000347434610 1036955222 /nfs/dbraw/zinc/95/52/22/1036955222.db2.gz SVOYMPGQIATOLN-UHFFFAOYSA-N -1 0 340.408 3.541 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)NCc1ccoc1C(=O)[O-] ZINC000659199827 1036961511 /nfs/dbraw/zinc/96/15/11/1036961511.db2.gz AZVRMMFNKVQJCY-OAHLLOKOSA-N -1 0 345.395 3.575 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)s1 ZINC000321604069 1036984106 /nfs/dbraw/zinc/98/41/06/1036984106.db2.gz RNVWRALUOLYKKM-SCLBCKFNSA-N -1 0 331.437 3.666 20 0 EHADRM O=C([O-])c1ccc(CNc2cc(F)ccc2OC[C@@H]2CCCO2)cc1 ZINC000263490465 1036990909 /nfs/dbraw/zinc/99/09/09/1036990909.db2.gz QYPZLZPJSMMOMF-INIZCTEOSA-N -1 0 345.370 3.694 20 0 EHADRM CCOCCOCc1cccc(NCc2cccc(C(=O)[O-])c2)c1C ZINC000263490899 1036990948 /nfs/dbraw/zinc/99/09/48/1036990948.db2.gz RDECQKISSOJLMI-UHFFFAOYSA-N -1 0 343.423 3.858 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000263522976 1037038187 /nfs/dbraw/zinc/03/81/87/1037038187.db2.gz IERJRWHKYWAPKB-LJQANCHMSA-N -1 0 345.483 3.921 20 0 EHADRM CCCC[C@H](NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-])c1ccc(OC)cc1 ZINC000590797038 1037063683 /nfs/dbraw/zinc/06/36/83/1037063683.db2.gz SWKWBAMCXIFCAF-KSZLIROESA-N -1 0 345.439 3.710 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)NC[C@@H](C)CC(=O)[O-])c(F)c2)cc1C ZINC000539687870 1037071894 /nfs/dbraw/zinc/07/18/94/1037071894.db2.gz FPPQFOKJIFMGDT-LBPRGKRZSA-N -1 0 343.398 3.950 20 0 EHADRM CC1CCC(N(C(=O)c2nn(-c3ccccc3)cc2[O-])C2CC2)CC1 ZINC000162962831 1037091058 /nfs/dbraw/zinc/09/10/58/1037091058.db2.gz UFYXEZNZAGAJME-UHFFFAOYSA-N -1 0 339.439 3.761 20 0 EHADRM CC(C)(C)c1n[n-]c(=NCc2c[nH]nc2-c2cccc(Cl)c2)s1 ZINC000539709364 1037098262 /nfs/dbraw/zinc/09/82/62/1037098262.db2.gz UKVWUWXAPSPQGZ-UHFFFAOYSA-N -1 0 347.875 3.913 20 0 EHADRM CCCn1c(C(=O)N2CC[C@](C(=O)[O-])(C(C)C)C2)cc2ccccc21 ZINC000263543126 1037106197 /nfs/dbraw/zinc/10/61/97/1037106197.db2.gz RVQMQEFQNJFQLE-HXUWFJFHSA-N -1 0 342.439 3.624 20 0 EHADRM CN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccsc2)C1 ZINC000007749636 1037119398 /nfs/dbraw/zinc/11/93/98/1037119398.db2.gz BAMRQCHNFBCLHO-JYRVWZFOSA-N -1 0 336.416 3.981 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)C=C2CCC(C)(C)CC2)c1 ZINC000761556896 1037135353 /nfs/dbraw/zinc/13/53/53/1037135353.db2.gz RKPNBDJRLZWCOR-KRWDZBQOSA-N -1 0 345.439 3.854 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000590949274 1037138068 /nfs/dbraw/zinc/13/80/68/1037138068.db2.gz SUTICSUXRATSOT-RCBQFDQVSA-N -1 0 333.453 3.643 20 0 EHADRM CC[C@@H](C)c1ncc([N-]S(=O)(=O)c2c(C)cccc2Cl)cn1 ZINC000414382168 1037182346 /nfs/dbraw/zinc/18/23/46/1037182346.db2.gz OEBYUQPXPWSNLF-SNVBAGLBSA-N -1 0 339.848 3.753 20 0 EHADRM O=C(Nc1ccc2c(c1)OCO2)c1c([O-])cc(Cl)cc1Cl ZINC000176933614 1037263964 /nfs/dbraw/zinc/26/39/64/1037263964.db2.gz SHKQWVHNVWJUNM-UHFFFAOYSA-N -1 0 326.135 3.680 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000659119606 1037278615 /nfs/dbraw/zinc/27/86/15/1037278615.db2.gz VPDSMXLIWKVLRB-MRVPVSSYSA-N -1 0 341.285 3.796 20 0 EHADRM COC(=O)c1cc(NC(=O)c2ccc3[n-]c(=S)oc3c2)c(C)s1 ZINC001299195785 1037321478 /nfs/dbraw/zinc/32/14/78/1037321478.db2.gz MYCDCGASZFKACG-UHFFFAOYSA-N -1 0 348.405 3.525 20 0 EHADRM COC(=O)c1csc(NC(=O)c2cc(F)cc(Cl)c2[O-])c1C ZINC000180938909 1037331896 /nfs/dbraw/zinc/33/18/96/1037331896.db2.gz ZELKYLHSTCNGSM-UHFFFAOYSA-N -1 0 343.763 3.594 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000659141533 1037360909 /nfs/dbraw/zinc/36/09/09/1037360909.db2.gz IPGLZUVEWBOVSA-SCLBCKFNSA-N -1 0 345.826 3.841 20 0 EHADRM Cc1ccc([C@@H]2C[C@H]2C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)cc1C ZINC000659145421 1037379970 /nfs/dbraw/zinc/37/99/70/1037379970.db2.gz KUCAJHRCSLWHQC-KSZLIROESA-N -1 0 335.403 3.622 20 0 EHADRM C[C@H](CC(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1)[C@@H]1CCCO1 ZINC000659158470 1037382677 /nfs/dbraw/zinc/38/26/77/1037382677.db2.gz DPEDWDMJAUIFKS-PVAVHDDUSA-N -1 0 339.476 3.512 20 0 EHADRM O=C([N-]S(=O)(=O)C1=Cc2ccccc2CC1)c1cc(F)cc(F)c1 ZINC000058034302 1037384185 /nfs/dbraw/zinc/38/41/85/1037384185.db2.gz PYVIYPOLKZCONI-UHFFFAOYSA-N -1 0 349.358 3.587 20 0 EHADRM CC(C)(C)OCc1cccc(CNC(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000177140243 1037392236 /nfs/dbraw/zinc/39/22/36/1037392236.db2.gz AGEHQSJHAQCWQB-UHFFFAOYSA-N -1 0 349.377 3.916 20 0 EHADRM O=S(=O)([N-][C@H](c1ccccc1)C1CCC1)c1c(F)cccc1F ZINC000591392760 1037400725 /nfs/dbraw/zinc/40/07/25/1037400725.db2.gz ZCKVHFJKZTVOEU-MRXNPFEDSA-N -1 0 337.391 3.785 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N(C)Cc1oc2c(cccc2C)c1C ZINC000659162713 1037406858 /nfs/dbraw/zinc/40/68/58/1037406858.db2.gz KOBSFGFJGAVCGJ-UHFFFAOYSA-N -1 0 341.363 3.921 20 0 EHADRM CCCCCc1cc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)n[nH]1 ZINC000659161375 1037407215 /nfs/dbraw/zinc/40/72/15/1037407215.db2.gz VTXVGARUPDOGTI-LBPRGKRZSA-N -1 0 329.400 3.583 20 0 EHADRM Cc1cc(C(=O)N=c2[n-]nc(-c3ccccc3)s2)nc2ccccc12 ZINC000491348137 1037409842 /nfs/dbraw/zinc/40/98/42/1037409842.db2.gz XSRQFIKVXGJQCC-UHFFFAOYSA-N -1 0 346.415 3.736 20 0 EHADRM COc1ccc(C)cc1S(=O)(=O)[N-]c1nc(C2CCC2)cs1 ZINC000573248859 1037428383 /nfs/dbraw/zinc/42/83/83/1037428383.db2.gz KSEAFXRVCORGPK-UHFFFAOYSA-N -1 0 338.454 3.528 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2ccc(Cl)cc2C)n1 ZINC000659182008 1037430231 /nfs/dbraw/zinc/43/02/31/1037430231.db2.gz GCDMDPJTVOXCHP-ZDUSSCGKSA-N -1 0 335.791 3.523 20 0 EHADRM O=C([O-])c1ccc2c(c1)[C@@H](CNC(=O)c1c(F)cccc1F)CCC2 ZINC000659184476 1037438209 /nfs/dbraw/zinc/43/82/09/1037438209.db2.gz LRSVECCDDZMDIV-CYBMUJFWSA-N -1 0 345.345 3.513 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)C[C@@H](C)c2ccc(F)cc2)n1 ZINC000659185469 1037446324 /nfs/dbraw/zinc/44/63/24/1037446324.db2.gz AEOSZAWKYMLJNH-DOMZBBRYSA-N -1 0 347.390 3.580 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)C[C@@H](C)c2ccccc2C)n1 ZINC000659186477 1037449554 /nfs/dbraw/zinc/44/95/54/1037449554.db2.gz IMXRNTNZTKZBOG-GDBMZVCRSA-N -1 0 343.427 3.750 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2coc3ccc(F)cc23)[C@H]2CCCC[C@H]12 ZINC000659187938 1037452166 /nfs/dbraw/zinc/45/21/66/1037452166.db2.gz AWCMAEXZAQLNDN-IOASZLSFSA-N -1 0 345.370 3.677 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)[C@@H](C)c2cccc(Cl)c2)n1 ZINC000659188895 1037454021 /nfs/dbraw/zinc/45/40/21/1037454021.db2.gz WPYVSRBQSPOTHS-FZMZJTMJSA-N -1 0 349.818 3.705 20 0 EHADRM CC(C)Oc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)cc1 ZINC000659195216 1037465224 /nfs/dbraw/zinc/46/52/24/1037465224.db2.gz OJEXGOZQKYXFTE-BZSNNMDCSA-N -1 0 345.439 3.579 20 0 EHADRM O=C([O-])C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)C1CC1 ZINC000659209965 1037480161 /nfs/dbraw/zinc/48/01/61/1037480161.db2.gz PWRSDXDEGVEYTE-CEXWTWQISA-N -1 0 337.419 3.560 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cnn([C@@H](C)C3CC3)c2)c1Cl ZINC000187726658 1037496755 /nfs/dbraw/zinc/49/67/55/1037496755.db2.gz KRGGDEXJJNKURO-NSHDSACASA-N -1 0 339.848 3.617 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)c2ccc3c4c(cccc42)CC3)s1 ZINC000491538795 1037544300 /nfs/dbraw/zinc/54/43/00/1037544300.db2.gz RNDLXBQDHKOIRB-UHFFFAOYSA-N -1 0 337.448 3.663 20 0 EHADRM CC(C)Oc1ccc(Cl)cc1C(=O)N[C@@H]1CCC[C@]1(C)C(=O)[O-] ZINC000659234568 1037549380 /nfs/dbraw/zinc/54/93/80/1037549380.db2.gz HITGDZCURFFCOG-PBHICJAKSA-N -1 0 339.819 3.500 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000659236247 1037550373 /nfs/dbraw/zinc/55/03/73/1037550373.db2.gz RPNCIFZISAMITA-CRAIPNDOSA-N -1 0 347.798 3.973 20 0 EHADRM Cc1cccc(NC(=O)C[C@H](C)Nc2cccc(CC(=O)[O-])c2)c1C ZINC000573575709 1037619388 /nfs/dbraw/zinc/61/93/88/1037619388.db2.gz MOGULCDWUCCFRA-AWEZNQCLSA-N -1 0 340.423 3.760 20 0 EHADRM Cc1ccccc1-n1nccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000303647719 1037630929 /nfs/dbraw/zinc/63/09/29/1037630929.db2.gz SZCPCRUOXSUUKH-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3ccccc3F)c2)o1 ZINC000108985607 1037656660 /nfs/dbraw/zinc/65/66/60/1037656660.db2.gz ARYWIOBPPFVPTM-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM Cc1ccc(C)c([C@H]2CCCN2C(=O)N=c2ccc(C3CC3)n[n-]2)c1 ZINC000532566112 1037658879 /nfs/dbraw/zinc/65/88/79/1037658879.db2.gz SJRKALNIPZGPKA-GOSISDBHSA-N -1 0 336.439 3.762 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2C)c(C)c1 ZINC000303684754 1037661784 /nfs/dbraw/zinc/66/17/84/1037661784.db2.gz ZQXBSRMOLDWIQD-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM CCO[C@@H]1C[C@H](N=c2nc(-c3ccccc3)[n-]s2)C12CCCC2 ZINC000463021331 1037666947 /nfs/dbraw/zinc/66/69/47/1037666947.db2.gz AMXNEQALUJOOEQ-LSDHHAIUSA-N -1 0 329.469 3.777 20 0 EHADRM Clc1cc(Cl)cc(-c2noc(=NCc3nccs3)[n-]2)c1 ZINC000540284318 1037768621 /nfs/dbraw/zinc/76/86/21/1037768621.db2.gz XMIXFHSQUNXZCM-UHFFFAOYSA-N -1 0 327.196 3.534 20 0 EHADRM O=S(=O)(N[C@@H]1CCC[C@@H](F)C1)c1cccc(Cl)c1Cl ZINC000567775673 1037770040 /nfs/dbraw/zinc/77/00/40/1037770040.db2.gz RZSMGGCIVGSMJR-RKDXNWHRSA-N -1 0 326.220 3.552 20 0 EHADRM CC(C)C[C@H](C(=O)[O-])[S@@](=O)[C@@H](C)c1ccc(Br)cc1 ZINC000573897416 1037795592 /nfs/dbraw/zinc/79/55/92/1037795592.db2.gz ITARAGNISQRCIX-VARDARPISA-N -1 0 347.274 3.758 20 0 EHADRM O=C(NC1CCCCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000303931154 1037876761 /nfs/dbraw/zinc/87/67/61/1037876761.db2.gz VNOOPABPQWVROQ-UHFFFAOYSA-N -1 0 332.625 3.871 20 0 EHADRM CCCc1csc(CN=c2[n-]nc(CCCc3cccs3)o2)n1 ZINC000492062507 1037929759 /nfs/dbraw/zinc/92/97/59/1037929759.db2.gz NTNHUDUIRCTBOT-UHFFFAOYSA-N -1 0 348.497 3.749 20 0 EHADRM COc1ccc(-c2n[n-]c(=NCc3ccc(F)c(Cl)c3)o2)cc1 ZINC000463247164 1037934301 /nfs/dbraw/zinc/93/43/01/1037934301.db2.gz HNKCHWGXFLFVBG-UHFFFAOYSA-N -1 0 333.750 3.572 20 0 EHADRM Cc1ccc(-c2n[n-]c(=NCc3ccccc3OC(C)C)o2)s1 ZINC000463248914 1037936368 /nfs/dbraw/zinc/93/63/68/1037936368.db2.gz CALUCXSSUDPBNL-UHFFFAOYSA-N -1 0 329.425 3.928 20 0 EHADRM CCN(C(=O)CC(C)(C)C(=O)[O-])[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000573955275 1037976912 /nfs/dbraw/zinc/97/69/12/1037976912.db2.gz OKQHYCLRELOUCY-INIZCTEOSA-N -1 0 337.435 3.742 20 0 EHADRM CCC(CC)NC(=O)N=c1[n-]nc(C(C)(C)c2ccccc2)s1 ZINC000592471992 1038001229 /nfs/dbraw/zinc/00/12/29/1038001229.db2.gz ANLDTUJUPABMKL-UHFFFAOYSA-N -1 0 332.473 3.596 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)CC[C@@H]1C(=O)[O-] ZINC000327667820 1038020664 /nfs/dbraw/zinc/02/06/64/1038020664.db2.gz JJJDHDIHMYXXED-KDOFPFPSSA-N -1 0 338.407 3.928 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)CC[C@H]1C(=O)[O-] ZINC000327667819 1038020887 /nfs/dbraw/zinc/02/08/87/1038020887.db2.gz JJJDHDIHMYXXED-KBXCAEBGSA-N -1 0 338.407 3.928 20 0 EHADRM C[C@@H]1CCC[C@@H]1NC(=O)N=c1[n-]nc(C(C)(C)c2ccccc2)s1 ZINC000592529973 1038029040 /nfs/dbraw/zinc/02/90/40/1038029040.db2.gz MWNOKGCVDHCZQN-OCCSQVGLSA-N -1 0 344.484 3.596 20 0 EHADRM Cc1ccc(-c2noc(C(=O)[N-]c3c(F)cccc3F)n2)c(C)c1 ZINC001212171706 1038057667 /nfs/dbraw/zinc/05/76/67/1038057667.db2.gz ZFKNYQKZBVWTPP-UHFFFAOYSA-N -1 0 329.306 3.884 20 0 EHADRM CC(C)(C)[C@H]1CCCN1C(=O)c1cc(F)cc(Br)c1[O-] ZINC000416147692 1038228734 /nfs/dbraw/zinc/22/87/34/1038228734.db2.gz BQNGQPJFJDMJLT-GFCCVEGCSA-N -1 0 344.224 3.945 20 0 EHADRM C[C@@H]1CC[C@H](N(C)C(=O)c2cc(F)cc(Br)c2[O-])C1 ZINC000416225768 1038375686 /nfs/dbraw/zinc/37/56/86/1038375686.db2.gz TVHYNLFOIFQZLA-SCZZXKLOSA-N -1 0 330.197 3.554 20 0 EHADRM CC1(C)CN(C(=O)c2cc(F)cc(Br)c2[O-])[C@@H]1C1CC1 ZINC000416233825 1038389075 /nfs/dbraw/zinc/38/90/75/1038389075.db2.gz KMCDAKAQFFNEFI-CYBMUJFWSA-N -1 0 342.208 3.554 20 0 EHADRM CC(C)(C)Cc1n[n-]c(=NCc2cccc(OC(F)(F)F)c2)o1 ZINC000538592912 1038405203 /nfs/dbraw/zinc/40/52/03/1038405203.db2.gz XIMSZEFEAJTOBZ-UHFFFAOYSA-N -1 0 329.322 3.591 20 0 EHADRM CN(C(=O)c1cc(F)cc(Br)c1[O-])C1CC(C)(C)C1 ZINC000416255191 1038430143 /nfs/dbraw/zinc/43/01/43/1038430143.db2.gz WRNHDSGDTSEJTC-UHFFFAOYSA-N -1 0 330.197 3.554 20 0 EHADRM O=C(Nc1ccc(O)c(Cl)c1)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000182880009 1038646721 /nfs/dbraw/zinc/64/67/21/1038646721.db2.gz WLAGPISWZJAYPT-UHFFFAOYSA-N -1 0 345.811 3.772 20 0 EHADRM C/C=C\C[C@H](NC(=O)Nc1ccc(-c2csc(C)n2)cc1)C(=O)[O-] ZINC000584567850 1038662507 /nfs/dbraw/zinc/66/25/07/1038662507.db2.gz CTQWZDCNHYFNHW-NQHOJNORSA-N -1 0 345.424 3.659 20 0 EHADRM CCCc1nc(=N[C@@H](c2ccn(C)n2)c2ccc(Cl)cc2)s[n-]1 ZINC000461935104 1038683785 /nfs/dbraw/zinc/68/37/85/1038683785.db2.gz LYKRHSVBDNHXRH-OAHLLOKOSA-N -1 0 347.875 3.501 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000431886071 1038759293 /nfs/dbraw/zinc/75/92/93/1038759293.db2.gz WXYUQDKVIIUMRN-ZDUSSCGKSA-N -1 0 337.847 3.670 20 0 EHADRM CC[C@H](SC)C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000910255624 1038792156 /nfs/dbraw/zinc/79/21/56/1038792156.db2.gz OMFLAXXULVUEQY-NSHDSACASA-N -1 0 346.246 3.536 20 0 EHADRM CC(C)(C)OC1CC(CC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC000910296470 1038827931 /nfs/dbraw/zinc/82/79/31/1038827931.db2.gz NTMJGYLUJANKCZ-XEXHBRLRSA-N -1 0 345.439 3.797 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)C[C@@]1(C)C(=O)[O-] ZINC000582065426 1038839059 /nfs/dbraw/zinc/83/90/59/1038839059.db2.gz MKYJBHGEIXAOQH-MPBGBICISA-N -1 0 342.439 3.648 20 0 EHADRM CCc1c(C(=O)Nc2cc(Cl)c([O-])cc2F)cnn1CC(C)C ZINC000554033181 1038841018 /nfs/dbraw/zinc/84/10/18/1038841018.db2.gz JDIQLSPXAHMYAH-UHFFFAOYSA-N -1 0 339.798 3.852 20 0 EHADRM CC[C@@]1(C)CCN(C(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])C1 ZINC000468968546 1038876554 /nfs/dbraw/zinc/87/65/54/1038876554.db2.gz LIHQULSPJPSDFI-FQEVSTJZSA-N -1 0 341.455 3.964 20 0 EHADRM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1ccccc1Cl)c1cccs1 ZINC000910403272 1038884608 /nfs/dbraw/zinc/88/46/08/1038884608.db2.gz AVZNGCFIPPPPOH-ZWNOBZJWSA-N -1 0 337.828 3.837 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1 ZINC000485310138 1038910113 /nfs/dbraw/zinc/91/01/13/1038910113.db2.gz CEXRBMCQHSYYRH-UHFFFAOYSA-N -1 0 349.305 3.654 20 0 EHADRM C[C@@H](Nc1cc(C(F)(F)F)ccn1)c1ccc(OCC(=O)[O-])cc1 ZINC000910465891 1038925864 /nfs/dbraw/zinc/92/58/64/1038925864.db2.gz FSXZYLKUURBTGP-SNVBAGLBSA-N -1 0 340.301 3.737 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCCSC[C@@H]1c1ccccc1 ZINC000910513127 1038939707 /nfs/dbraw/zinc/93/97/07/1038939707.db2.gz NBZBQBFEZUKQBG-OAHLLOKOSA-N -1 0 345.420 3.607 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN(C(=O)CC[C@H]1CCc3ccccc31)C2 ZINC000910501249 1038950075 /nfs/dbraw/zinc/95/00/75/1038950075.db2.gz FZQRTVSZYSKLLH-MRXNPFEDSA-N -1 0 349.430 3.780 20 0 EHADRM CC1(C)CCCN(C(=O)N=c2[n-]nc(-c3ccccc3)s2)CC1 ZINC000479967193 1038960121 /nfs/dbraw/zinc/96/01/21/1038960121.db2.gz JVZBDGKYELELBE-UHFFFAOYSA-N -1 0 330.457 3.671 20 0 EHADRM CC(C)(CCC(=O)[O-])C(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000910625450 1038993030 /nfs/dbraw/zinc/99/30/30/1038993030.db2.gz RTBWYEWCTJRLKA-UHFFFAOYSA-N -1 0 332.425 3.563 20 0 EHADRM CCCN(CCc1ccccn1)C(=O)c1cc(SC)ccc1O ZINC000667587603 1038993298 /nfs/dbraw/zinc/99/32/98/1038993298.db2.gz YLPMNELMIPMNSM-UHFFFAOYSA-N -1 0 330.453 3.604 20 0 EHADRM Cc1ccc2c(c1Br)CN(Cc1ccoc1C(=O)[O-])C2 ZINC000659802949 1039003273 /nfs/dbraw/zinc/00/32/73/1039003273.db2.gz AUMFXDZJPWIWTQ-UHFFFAOYSA-N -1 0 336.185 3.565 20 0 EHADRM Cc1cc(C(=O)Nc2cnn(CCC(C)C)c2C(C)C)oc1C(=O)[O-] ZINC000910656947 1039005149 /nfs/dbraw/zinc/00/51/49/1039005149.db2.gz RXDKRZIDEUIMCH-UHFFFAOYSA-N -1 0 347.415 3.905 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)Nc1cnn(CCC(C)C)c1C(C)C ZINC000910656291 1039005439 /nfs/dbraw/zinc/00/54/39/1039005439.db2.gz LCESPWGNMKQAOZ-UHFFFAOYSA-N -1 0 347.415 3.905 20 0 EHADRM CC(C)c1c(NC(=O)CCCC(=O)[O-])cnn1-c1ccccc1Cl ZINC000910657312 1039005779 /nfs/dbraw/zinc/00/57/79/1039005779.db2.gz VZSJNNYRSGQJPQ-UHFFFAOYSA-N -1 0 349.818 3.843 20 0 EHADRM CCN=c1[n-]nc(SCc2cc(C)ccc2OC(F)F)s1 ZINC000488251764 1039007879 /nfs/dbraw/zinc/00/78/79/1039007879.db2.gz MZMITCDBDJTKHB-UHFFFAOYSA-N -1 0 331.413 3.594 20 0 EHADRM COc1ccc(N(CCC(C)C)C(=O)c2ncc(C)cc2[O-])cc1 ZINC000477906628 1039013271 /nfs/dbraw/zinc/01/32/71/1039013271.db2.gz ZPFCWLITIWGRFA-UHFFFAOYSA-N -1 0 328.412 3.797 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000485393374 1039022020 /nfs/dbraw/zinc/02/20/20/1039022020.db2.gz MWBWYVZDEFWSOI-UHFFFAOYSA-N -1 0 344.219 3.997 20 0 EHADRM CC(C)n1c2ccccc2nc1NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000910702903 1039027944 /nfs/dbraw/zinc/02/79/44/1039027944.db2.gz NOKASIDRSYWJRZ-UHFFFAOYSA-N -1 0 343.427 3.837 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)C2=CCCCCC2)nc1C(=O)[O-] ZINC000910724243 1039032994 /nfs/dbraw/zinc/03/29/94/1039032994.db2.gz QNXHRGDAYGSIIK-ZDUSSCGKSA-N -1 0 334.441 3.704 20 0 EHADRM O=C([O-])c1nc(NC(=O)CCCOc2ccccc2)sc1C1CC1 ZINC000910729193 1039036621 /nfs/dbraw/zinc/03/66/21/1039036621.db2.gz KGFNZFCAUFHZMM-UHFFFAOYSA-N -1 0 346.408 3.516 20 0 EHADRM COCc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000485410398 1039036814 /nfs/dbraw/zinc/03/68/14/1039036814.db2.gz GPKXZDGZUVEYQR-UHFFFAOYSA-N -1 0 346.235 3.941 20 0 EHADRM C[C@@H](CC(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)c1cccc(F)c1 ZINC000910731341 1039039590 /nfs/dbraw/zinc/03/95/90/1039039590.db2.gz GZYRCCPPJFPOIC-VIFPVBQESA-N -1 0 348.399 3.990 20 0 EHADRM C[C@@]1(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)CCc2ccccc21 ZINC000910740805 1039047573 /nfs/dbraw/zinc/04/75/73/1039047573.db2.gz BGSQDHRVWJTDCL-GOSISDBHSA-N -1 0 342.420 3.561 20 0 EHADRM Cc1sc(NC(=O)c2ccccc2SC(C)C)nc1C(=O)[O-] ZINC000910783405 1039075422 /nfs/dbraw/zinc/07/54/22/1039075422.db2.gz DXQFYMTUMHAVCM-UHFFFAOYSA-N -1 0 336.438 3.903 20 0 EHADRM O=C([O-])CC1CC(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 ZINC000910813304 1039088013 /nfs/dbraw/zinc/08/80/13/1039088013.db2.gz XAGPDQRTKGJVIB-UHFFFAOYSA-N -1 0 335.831 3.521 20 0 EHADRM C[C@H](CC(=O)NC1CC(CC(=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC000910811781 1039088323 /nfs/dbraw/zinc/08/83/23/1039088323.db2.gz FMPQFASJSQZEOJ-CDWSIMAYSA-N -1 0 343.345 3.569 20 0 EHADRM Cc1nc(C(=O)Nc2ccccc2COC(C)(C)C)ccc1C(=O)[O-] ZINC000910944577 1039167056 /nfs/dbraw/zinc/16/70/56/1039167056.db2.gz OZVVHDKPHNPAMM-UHFFFAOYSA-N -1 0 342.395 3.656 20 0 EHADRM CSc1ccc(NC(=O)c2ccnn2C2CCCC2)cc1C(=O)[O-] ZINC000910947480 1039169747 /nfs/dbraw/zinc/16/97/47/1039169747.db2.gz FVLVHEDTAKUFJQ-UHFFFAOYSA-N -1 0 345.424 3.671 20 0 EHADRM CCC[C@@H](C(=O)N(CC)c1cccc(C(=O)[O-])c1)c1ccccn1 ZINC000910969655 1039172820 /nfs/dbraw/zinc/17/28/20/1039172820.db2.gz IWQGBIWYHBCIPM-MRXNPFEDSA-N -1 0 326.396 3.717 20 0 EHADRM CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1OC)c1cccc(C(=O)[O-])c1 ZINC000910972368 1039173667 /nfs/dbraw/zinc/17/36/67/1039173667.db2.gz WEUBQMKXQZPZHN-DLBZAZTESA-N -1 0 339.391 3.550 20 0 EHADRM CC[C@H](CC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)CC1)C(C)(C)C ZINC000911024257 1039189951 /nfs/dbraw/zinc/18/99/51/1039189951.db2.gz FZLMYJLEXXYOTA-LLVKDONJSA-N -1 0 337.382 3.705 20 0 EHADRM C[C@]1(Cc2cccs2)CCCN1C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000911060967 1039219157 /nfs/dbraw/zinc/21/91/57/1039219157.db2.gz HCJJVYPKXCJPHA-JFIBYHEFSA-N -1 0 349.496 3.953 20 0 EHADRM CC1(C)C[C@H](c2ccccc2)CN1C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000911060352 1039219509 /nfs/dbraw/zinc/21/95/09/1039219509.db2.gz CUWQAOBEYPQRDL-IKGGRYGDSA-N -1 0 329.440 3.672 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)C[C@H]1OCCc2ccccc21)C(=O)[O-] ZINC000236690420 1039239881 /nfs/dbraw/zinc/23/98/81/1039239881.db2.gz QMJTXLCLPFROPW-YLJYHZDGSA-N -1 0 347.455 3.620 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)c1cccc(NC(=O)CC)c1)C(=O)[O-] ZINC000236702347 1039241180 /nfs/dbraw/zinc/24/11/80/1039241180.db2.gz NOQFOPYNLIJOOT-LJQANCHMSA-N -1 0 348.443 3.579 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N[C@@H](C)c2ccc(C)cc2C)s1 ZINC000511593167 1039261930 /nfs/dbraw/zinc/26/19/30/1039261930.db2.gz IIIWLEPCUATVTO-NSHDSACASA-N -1 0 336.486 3.572 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2)s1 ZINC000554387524 1039283687 /nfs/dbraw/zinc/28/36/87/1039283687.db2.gz UGPMRFXOSFZQCV-GXTWGEPZSA-N -1 0 330.457 3.528 20 0 EHADRM CN(C)c1ccc(Cl)cc1NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000911234864 1039305648 /nfs/dbraw/zinc/30/56/48/1039305648.db2.gz SSUSRILZFKQKAH-UHFFFAOYSA-N -1 0 338.835 3.626 20 0 EHADRM CC(C)Oc1ccccc1[C@H](C)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000324252119 1039320006 /nfs/dbraw/zinc/32/00/06/1039320006.db2.gz BLKSKSJHCAOIJY-IMJJTQAJSA-N -1 0 333.428 3.542 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)Nc1cccc(NC2CCCC2)c1 ZINC000911367646 1039342055 /nfs/dbraw/zinc/34/20/55/1039342055.db2.gz AYGQTZZLGKUFFJ-UHFFFAOYSA-N -1 0 328.368 3.893 20 0 EHADRM Cc1c(C(=O)[O-])sc2ncnc(NCC3(C)CC(F)(F)C3)c12 ZINC000906148222 1039343136 /nfs/dbraw/zinc/34/31/36/1039343136.db2.gz FXGODOYXMJANFM-UHFFFAOYSA-N -1 0 327.356 3.545 20 0 EHADRM C[C@@H]1CCC[C@@H](C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)C1 ZINC000237574135 1039359176 /nfs/dbraw/zinc/35/91/76/1039359176.db2.gz OMWOJCGYHZMUAI-HCKVZZMMSA-N -1 0 341.810 3.937 20 0 EHADRM Cc1cc(C(=O)N[C@H](C)CCC(=O)[O-])c(C)n1[C@H](C)c1ccccc1 ZINC000237419315 1039361873 /nfs/dbraw/zinc/36/18/73/1039361873.db2.gz NTPWAEQQFMZTDH-UKRRQHHQSA-N -1 0 342.439 3.697 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000237424580 1039362077 /nfs/dbraw/zinc/36/20/77/1039362077.db2.gz RQSUKXXYHSIFJP-LLVKDONJSA-N -1 0 333.334 3.615 20 0 EHADRM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)C1(C(=O)[O-])CCCC1 ZINC000911494158 1039391323 /nfs/dbraw/zinc/39/13/23/1039391323.db2.gz QPLJYDIQNSXTOM-OAHLLOKOSA-N -1 0 344.455 3.957 20 0 EHADRM CC(C)(C)Oc1c(F)cc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc1F ZINC000911512910 1039400022 /nfs/dbraw/zinc/40/00/22/1039400022.db2.gz VNPSENVZGTUVFS-ZJUUUORDSA-N -1 0 341.354 3.582 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1nc(Cl)ccc1Cl ZINC000186561544 1039402898 /nfs/dbraw/zinc/40/28/98/1039402898.db2.gz HDYPHONJJLHTJC-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM COc1cc(OC(F)F)ccc1-c1ccc([C@@H](OC)C(=O)[O-])s1 ZINC000906245462 1039406000 /nfs/dbraw/zinc/40/60/00/1039406000.db2.gz JZPGLURHMFISEP-CYBMUJFWSA-N -1 0 344.335 3.797 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1c1ccc(F)cc1F ZINC000911547488 1039407445 /nfs/dbraw/zinc/40/74/45/1039407445.db2.gz YAQISEHBHAEROP-WOSRLPQWSA-N -1 0 337.366 3.519 20 0 EHADRM CO[C@H](C(=O)[O-])c1ccc(-c2ccc(C(F)(F)F)cc2CO)s1 ZINC000906251888 1039411628 /nfs/dbraw/zinc/41/16/28/1039411628.db2.gz ZDOJSXJVLGCISC-ZDUSSCGKSA-N -1 0 346.326 3.698 20 0 EHADRM CCC(CC)(CC(=O)Nc1cc(OC)ccc1OC(F)F)C(=O)[O-] ZINC000324391077 1039417283 /nfs/dbraw/zinc/41/72/83/1039417283.db2.gz QEPWGOWWEYXLGX-UHFFFAOYSA-N -1 0 345.342 3.516 20 0 EHADRM CO[C@H](C(=O)[O-])c1ccc(-c2ccccc2OC[C@H]2CCOC2)s1 ZINC000906241931 1039427773 /nfs/dbraw/zinc/42/77/73/1039427773.db2.gz XXVGORSQAAIDIK-SJCJKPOMSA-N -1 0 348.420 3.603 20 0 EHADRM Fc1ccccc1-c1csc(CN=c2nc(C3CC3)[n-]s2)n1 ZINC000567341650 1039427926 /nfs/dbraw/zinc/42/79/26/1039427926.db2.gz VDJDFJWSWJUMJU-UHFFFAOYSA-N -1 0 332.429 3.712 20 0 EHADRM CCN(C)C(=O)N(CC)[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000554533433 1039437919 /nfs/dbraw/zinc/43/79/19/1039437919.db2.gz VWAMFUYQCUKPLM-LBPRGKRZSA-N -1 0 333.215 3.513 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1ccccc1C(F)(F)F ZINC000511604996 1039438438 /nfs/dbraw/zinc/43/84/38/1039438438.db2.gz OBAOGFMYPZHCQV-JTQLQIEISA-N -1 0 337.297 3.895 20 0 EHADRM CC[C@@H]1Cc2ccccc2CN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000345045737 1039445432 /nfs/dbraw/zinc/44/54/32/1039445432.db2.gz XOVSKPTYNBASSJ-GFCCVEGCSA-N -1 0 335.325 3.787 20 0 EHADRM CC(C)(CCC(=O)[O-])C(=O)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000911742165 1039482136 /nfs/dbraw/zinc/48/21/36/1039482136.db2.gz GSEBWYDWWRMYSL-BJWYYQGGSA-N -1 0 329.440 3.815 20 0 EHADRM O=C([O-])CCCCCCNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000238120160 1039494483 /nfs/dbraw/zinc/49/44/83/1039494483.db2.gz LJALPTPCQFFHBR-NWDGAFQWSA-N -1 0 341.810 3.734 20 0 EHADRM CCC[C@@](C)(NC(=O)N[C@H](C)c1ccc(SCC)cc1)C(=O)[O-] ZINC000554603155 1039512644 /nfs/dbraw/zinc/51/26/44/1039512644.db2.gz JNLZFJKYAALWFW-SJKOYZFVSA-N -1 0 338.473 3.802 20 0 EHADRM Fc1cccc(-c2ccc(CN=c3[n-]nc(-c4ccco4)o3)o2)c1F ZINC000478579660 1039547967 /nfs/dbraw/zinc/54/79/67/1039547967.db2.gz KAZWVDWEFKJEAX-UHFFFAOYSA-N -1 0 343.289 3.902 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc3c2CCO3)s1 ZINC000478702353 1039641215 /nfs/dbraw/zinc/64/12/15/1039641215.db2.gz WWKYVMXAXSEGAB-UHFFFAOYSA-N -1 0 337.466 3.781 20 0 EHADRM CC[C@H](C)c1ncc([N-]S(=O)(=O)c2ccc3ccccc3c2)cn1 ZINC000478712683 1039649211 /nfs/dbraw/zinc/64/92/11/1039649211.db2.gz XPZMCPRTZFWVAZ-ZDUSSCGKSA-N -1 0 341.436 3.944 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cc(OC)c(C)cc2C)s1 ZINC000478701579 1039657398 /nfs/dbraw/zinc/65/73/98/1039657398.db2.gz VEHFJBCHWHHWOY-UHFFFAOYSA-N -1 0 325.455 3.737 20 0 EHADRM Cc1cc(NC(=O)CCCOc2cccc(F)c2)cc(C(=O)[O-])c1C ZINC000485937513 1039717954 /nfs/dbraw/zinc/71/79/54/1039717954.db2.gz YXBXWWSKKIFPDF-UHFFFAOYSA-N -1 0 345.370 3.938 20 0 EHADRM Cc1cc(NC(=O)CCc2cccc(F)c2F)cc(C(=O)[O-])c1C ZINC000485962378 1039724682 /nfs/dbraw/zinc/72/46/82/1039724682.db2.gz YJTCDVLETHMWSQ-UHFFFAOYSA-N -1 0 333.334 3.851 20 0 EHADRM Fc1ccc([C@H]2CC[C@@H](N=c3[n-]nc(-c4ccccn4)s3)C2)cc1 ZINC000480591418 1039740730 /nfs/dbraw/zinc/74/07/30/1039740730.db2.gz SWIINOKRRSATRK-DZGCQCFKSA-N -1 0 340.427 3.909 20 0 EHADRM Cc1ccc(C(C)(C)CC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC000478870882 1039775023 /nfs/dbraw/zinc/77/50/23/1039775023.db2.gz TUYHAUQEZREFCQ-SZMVWBNQSA-N -1 0 343.467 3.907 20 0 EHADRM Cc1ccc(CN=c2[n-]nc(Cc3ccc(Cl)cc3)s2)cn1 ZINC000489324195 1039855113 /nfs/dbraw/zinc/85/51/13/1039855113.db2.gz IQUXMMGXOQISTL-UHFFFAOYSA-N -1 0 330.844 3.520 20 0 EHADRM CC(C)(C)c1nc(=N[C@@H](c2nccs2)c2ccccc2)s[n-]1 ZINC000489362067 1039901064 /nfs/dbraw/zinc/90/10/64/1039901064.db2.gz UIRPETWPOMUTRR-GFCCVEGCSA-N -1 0 330.482 3.916 20 0 EHADRM CCCCn1ncc(N=c2nc(C(F)(F)F)[n-]s2)c1C(C)C ZINC000553243336 1039910304 /nfs/dbraw/zinc/91/03/04/1039910304.db2.gz XUFHHUPAGYYAOM-UHFFFAOYSA-N -1 0 333.383 3.842 20 0 EHADRM Cc1sc([C@H](C)NC(=O)OCC2CCCCC2)nc1C(=O)[O-] ZINC000907112819 1039925759 /nfs/dbraw/zinc/92/57/59/1039925759.db2.gz ODIPOXYNIUQFOX-VIFPVBQESA-N -1 0 326.418 3.517 20 0 EHADRM CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1c(C)cccc1F ZINC000479136895 1039985070 /nfs/dbraw/zinc/98/50/70/1039985070.db2.gz SRDMSGKBXDCBHL-UHFFFAOYSA-N -1 0 339.436 3.630 20 0 EHADRM Fc1cccc([C@@H]2CC[C@H](N=c3[n-]nc(-c4ccccn4)s3)C2)c1 ZINC000480783173 1040005138 /nfs/dbraw/zinc/00/51/38/1040005138.db2.gz BOFVTRPJWVQSMG-HIFRSBDPSA-N -1 0 340.427 3.909 20 0 EHADRM Cc1cc(C)cc(C[C@H](NCc2ncc(C(C)C)s2)C(=O)[O-])c1 ZINC000417577450 1040021169 /nfs/dbraw/zinc/02/11/69/1040021169.db2.gz WQEIWDUIRCYXSU-HNNXBMFYSA-N -1 0 332.469 3.669 20 0 EHADRM O=C([O-])CCCc1ccc(NCc2cncc(Br)c2)cc1 ZINC000417583333 1040033439 /nfs/dbraw/zinc/03/34/39/1040033439.db2.gz JYVAOWOWCMXTID-UHFFFAOYSA-N -1 0 349.228 3.864 20 0 EHADRM COc1cc(CNc2ccc([C@@H](C)CC(=O)[O-])cc2)cc2c1OCO2 ZINC000417610618 1040061940 /nfs/dbraw/zinc/06/19/40/1040061940.db2.gz NRNHEOAZOWLHJD-LBPRGKRZSA-N -1 0 343.379 3.614 20 0 EHADRM CCCOc1cc(C)ccc1CN=c1nc(C(F)(F)F)[n-]s1 ZINC000553445201 1040071264 /nfs/dbraw/zinc/07/12/64/1040071264.db2.gz IZOPXHBWOKMVQR-UHFFFAOYSA-N -1 0 331.363 3.688 20 0 EHADRM Cc1cc(F)ccc1S(=O)(=O)Nc1ccnc(-c2ccccc2)c1 ZINC000479251793 1040073826 /nfs/dbraw/zinc/07/38/26/1040073826.db2.gz VGMCWHSGWDQMFM-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM CC(C)(C)c1cnc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)s1 ZINC000417631881 1040090265 /nfs/dbraw/zinc/09/02/65/1040090265.db2.gz SJFSAAUWHQLYLS-KBPBESRZSA-N -1 0 330.453 3.843 20 0 EHADRM Cc1nc([C@H](C)NC(=O)c2ccccc2C2CCC2)sc1C(=O)[O-] ZINC000907626748 1040108682 /nfs/dbraw/zinc/10/86/82/1040108682.db2.gz DQWIYUPEWPLRQX-NSHDSACASA-N -1 0 344.436 3.908 20 0 EHADRM Cc1ccc(F)c2oc(C(=O)N3CC[C@H](C(=O)[O-])[C@@H]4CCC[C@H]43)cc21 ZINC000907735008 1040150717 /nfs/dbraw/zinc/15/07/17/1040150717.db2.gz DTPSJNQFXUZKFM-SLEUVZQESA-N -1 0 345.370 3.596 20 0 EHADRM CCCc1ccccc1C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000907771371 1040161863 /nfs/dbraw/zinc/16/18/63/1040161863.db2.gz KXZOKVRLFBJPRC-UHFFFAOYSA-N -1 0 330.409 3.924 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)N2CCC[C@H](c3ccccc3)C2)s1 ZINC000432915604 1040185127 /nfs/dbraw/zinc/18/51/27/1040185127.db2.gz FPYYBJIPQUOCNM-AWEZNQCLSA-N -1 0 344.484 3.669 20 0 EHADRM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1nc(C2CCC2)cs1 ZINC000584878801 1040192886 /nfs/dbraw/zinc/19/28/86/1040192886.db2.gz NLOUNZCAOVJBMJ-UHFFFAOYSA-N -1 0 344.408 3.631 20 0 EHADRM Cc1cc(NC(=O)N(C)CCCC(=O)[O-])ccc1-c1ccccc1 ZINC000417783572 1040231731 /nfs/dbraw/zinc/23/17/31/1040231731.db2.gz HNVIOZSTQYOLFT-UHFFFAOYSA-N -1 0 326.396 3.991 20 0 EHADRM Cc1csc(-c2cccc(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)c2)n1 ZINC000908023813 1040265913 /nfs/dbraw/zinc/26/59/13/1040265913.db2.gz IQJNFQDUVGHEFB-AWEZNQCLSA-N -1 0 346.452 3.738 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)NCCCOC1CCCC1)C1CCCCC1 ZINC000555195484 1040268695 /nfs/dbraw/zinc/26/86/95/1040268695.db2.gz DGFKKUIOUYWQKK-LJQANCHMSA-N -1 0 339.476 3.513 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(C2(C)CCCC2)on1 ZINC000432960691 1040279323 /nfs/dbraw/zinc/27/93/23/1040279323.db2.gz PFPBEPPFKHTSPW-UHFFFAOYSA-N -1 0 338.404 3.755 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N(C)c2cccc(CC(=O)[O-])c2)cc1 ZINC000908083546 1040280360 /nfs/dbraw/zinc/28/03/60/1040280360.db2.gz RTQCCQGSDDBRSL-AWEZNQCLSA-N -1 0 341.407 3.768 20 0 EHADRM CCCCc1ccc([N-]S(=O)(=O)c2c(OC)cccc2OC)cc1 ZINC000479487146 1040287509 /nfs/dbraw/zinc/28/75/09/1040287509.db2.gz HRFWPPFSELDCIK-UHFFFAOYSA-N -1 0 349.452 3.847 20 0 EHADRM Cc1sc(-c2ccco2)nc1C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000324837599 1040289400 /nfs/dbraw/zinc/28/94/00/1040289400.db2.gz CIJDTKYREKOASX-UHFFFAOYSA-N -1 0 342.376 3.970 20 0 EHADRM CCCc1nc(C)c(C(=O)N[C@H](CC(=O)[O-])c2ccccc2C)s1 ZINC000236936667 1040310864 /nfs/dbraw/zinc/31/08/64/1040310864.db2.gz PYUWPBYZHYBIGO-CQSZACIVSA-N -1 0 346.452 3.658 20 0 EHADRM COc1ccc(C2CC2)c(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000899315990 1040318065 /nfs/dbraw/zinc/31/80/65/1040318065.db2.gz ARQLQTGTUCTRGX-CQSZACIVSA-N -1 0 346.427 3.824 20 0 EHADRM O=C([O-])c1ccc2cc(CCNC(=O)C3CCC=CCC3)oc2c1 ZINC000908219787 1040347253 /nfs/dbraw/zinc/34/72/53/1040347253.db2.gz YJJWKRBEEHJRTK-UHFFFAOYSA-N -1 0 327.380 3.536 20 0 EHADRM Cc1cc(C(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)c(C)n1C(C)C ZINC000908245194 1040367110 /nfs/dbraw/zinc/36/71/10/1040367110.db2.gz AXIWXTDXEFNWPH-KRWDZBQOSA-N -1 0 342.439 3.502 20 0 EHADRM Cc1ccc2c(CC(=O)NCCCCC3(C(=O)[O-])CCC3)coc2c1 ZINC000908354695 1040407578 /nfs/dbraw/zinc/40/75/78/1040407578.db2.gz PHHHJNPGRFIDCE-UHFFFAOYSA-N -1 0 343.423 3.825 20 0 EHADRM C/C(=C\C(C)(C)C)C(=O)Nc1ccc(-n2[n-]c(C3CC3)cc2=O)nc1 ZINC000912867705 1040422480 /nfs/dbraw/zinc/42/24/80/1040422480.db2.gz YGQININXNDZIAS-ZRDIBKRKSA-N -1 0 340.427 3.515 20 0 EHADRM CCC(CC)C(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000908411095 1040438018 /nfs/dbraw/zinc/43/80/18/1040438018.db2.gz YFDGJJJNTCKPEX-CYBMUJFWSA-N -1 0 331.334 3.774 20 0 EHADRM CCc1ccc2c(c1)CCN2C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000908443870 1040456040 /nfs/dbraw/zinc/45/60/40/1040456040.db2.gz DFVJMKORRSWHIB-UHFFFAOYSA-N -1 0 327.424 3.563 20 0 EHADRM COc1cccc(N(CC(C)C)C(=O)c2ccc(C(C)=O)c(O)c2)c1 ZINC000667541266 1040538877 /nfs/dbraw/zinc/53/88/77/1040538877.db2.gz KDQZQJGVRHKRLF-UHFFFAOYSA-N -1 0 341.407 3.906 20 0 EHADRM Cc1ccc(C)c([C@H](C)N(C)C(=O)N=c2[n-]nc(C3CC3)s2)c1 ZINC000555416787 1040565799 /nfs/dbraw/zinc/56/57/99/1040565799.db2.gz BBRVNQMXMYSFJD-LBPRGKRZSA-N -1 0 330.457 3.679 20 0 EHADRM CCC[C@@H]1C[C@@H](C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CCO1 ZINC000908686628 1040574908 /nfs/dbraw/zinc/57/49/08/1040574908.db2.gz JZGILQNMXCCNSY-CMPLNLGQSA-N -1 0 325.792 3.572 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)N[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000486970970 1040594254 /nfs/dbraw/zinc/59/42/54/1040594254.db2.gz RVYHGOZZRSTGAV-DLBZAZTESA-N -1 0 336.439 3.624 20 0 EHADRM FC(F)(F)c1ccc(CN=c2[n-]nc(Cc3ccccc3)o2)cc1 ZINC000479777408 1040594647 /nfs/dbraw/zinc/59/46/47/1040594647.db2.gz VGIZNCFOXHUIIG-UHFFFAOYSA-N -1 0 333.313 3.713 20 0 EHADRM CC(C)N(C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C1CCC1 ZINC000669068256 1040604810 /nfs/dbraw/zinc/60/48/10/1040604810.db2.gz ZXPLAWXWMKJXJT-UHFFFAOYSA-N -1 0 333.819 3.634 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)c2ccoc2CC(=O)[O-])cc1 ZINC000908780873 1040646085 /nfs/dbraw/zinc/64/60/85/1040646085.db2.gz JGAXLYNKCVVEJU-NSHDSACASA-N -1 0 333.409 3.510 20 0 EHADRM COCc1cccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000026547430 1040664842 /nfs/dbraw/zinc/66/48/42/1040664842.db2.gz HYXODXZZRMDZIH-UHFFFAOYSA-N -1 0 346.235 3.941 20 0 EHADRM CC(C)(C)OCc1ccccc1C(=O)Nc1n[nH]c(-c2ccco2)n1 ZINC000411293578 1040671753 /nfs/dbraw/zinc/67/17/53/1040671753.db2.gz LQKKRZVOUDIBMV-UHFFFAOYSA-N -1 0 340.383 3.632 20 0 EHADRM CCC[C@](C)(NC(=O)c1ccc(NCc2ccsc2)cc1)C(=O)[O-] ZINC000908864907 1040684756 /nfs/dbraw/zinc/68/47/56/1040684756.db2.gz FLKCNDQACZYCFK-SFHVURJKSA-N -1 0 346.452 3.733 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)c1sc2cccc(F)c2c1Cl ZINC000908864210 1040694458 /nfs/dbraw/zinc/69/44/58/1040694458.db2.gz DZFBEKCYPTZBAT-UHFFFAOYSA-N -1 0 329.780 3.631 20 0 EHADRM Cc1cc(Nc2cnc(Br)c(F)c2)ccc1C(=O)[O-] ZINC001211655452 1040726394 /nfs/dbraw/zinc/72/63/94/1040726394.db2.gz YMUPYFKYSKVNLR-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM COCCC[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000909006169 1040738750 /nfs/dbraw/zinc/73/87/50/1040738750.db2.gz JVDZXVQBAUIAER-PBHICJAKSA-N -1 0 349.471 3.679 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1cccc2ccccc21 ZINC000555529861 1040773137 /nfs/dbraw/zinc/77/31/37/1040773137.db2.gz BRVDLEPVPXEZKN-UHFFFAOYSA-N -1 0 344.374 3.891 20 0 EHADRM COc1cc(Cl)c(C)cc1NC(=O)c1s[n-]c(=O)c1Cl ZINC000555540241 1040785050 /nfs/dbraw/zinc/78/50/50/1040785050.db2.gz NQICFGKQLVIVHH-UHFFFAOYSA-N -1 0 333.196 3.725 20 0 EHADRM Cc1ccc(NC(=O)c2cc(=O)n(C)[n-]2)cc1OCC1CCCCC1 ZINC000669107825 1040811023 /nfs/dbraw/zinc/81/10/23/1040811023.db2.gz CLBCVXOFUWYIHT-UHFFFAOYSA-N -1 0 343.427 3.646 20 0 EHADRM C[C@H]1C[C@H](C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CCC1=O ZINC000909118831 1040812739 /nfs/dbraw/zinc/81/27/39/1040812739.db2.gz FDDDUZSLUWLHKK-VHSXEESVSA-N -1 0 331.393 3.543 20 0 EHADRM O=C(Nc1ccc(-c2c[nH]cn2)cc1)c1cc(F)cc(Cl)c1[O-] ZINC000555589357 1040869253 /nfs/dbraw/zinc/86/92/53/1040869253.db2.gz PBRDOPNENAGCCF-UHFFFAOYSA-N -1 0 331.734 3.827 20 0 EHADRM O=S(=O)([N-]c1cc(-c2ccccc2)on1)c1ccc2c(c1)CCC2 ZINC000481415902 1040875875 /nfs/dbraw/zinc/87/58/75/1040875875.db2.gz OMBOTBIIFKNYCJ-UHFFFAOYSA-N -1 0 340.404 3.631 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CC2(CCC2)c2ccccc21 ZINC000481444621 1040907398 /nfs/dbraw/zinc/90/73/98/1040907398.db2.gz MDOLLWHSPVEFAQ-UHFFFAOYSA-N -1 0 333.309 3.892 20 0 EHADRM CCC[C@H]1C[C@@H](C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CCO1 ZINC000909297917 1040913464 /nfs/dbraw/zinc/91/34/64/1040913464.db2.gz RUBMFPYJQFLOFV-BBRMVZONSA-N -1 0 333.428 3.583 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc(NCc2ccsc2)cc1 ZINC000909311679 1040938065 /nfs/dbraw/zinc/93/80/65/1040938065.db2.gz NFWZVUXHOKNRQS-CYBMUJFWSA-N -1 0 346.452 3.686 20 0 EHADRM Cc1ccc(NC(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])s1 ZINC000570904654 1040975258 /nfs/dbraw/zinc/97/52/58/1040975258.db2.gz HIJBDJRWPZSFCF-UONOGXRCSA-N -1 0 336.457 3.944 20 0 EHADRM Cc1ccc(NC(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])s1 ZINC000570904655 1040977593 /nfs/dbraw/zinc/97/75/93/1040977593.db2.gz HIJBDJRWPZSFCF-ZIAGYGMSSA-N -1 0 336.457 3.944 20 0 EHADRM C[C@@H](NC(=O)C1(C2CCCCC2)CC1)c1ccc(OCC(=O)[O-])cc1 ZINC000909797797 1041003410 /nfs/dbraw/zinc/00/34/10/1041003410.db2.gz SGGIRFHGOOBLCU-CQSZACIVSA-N -1 0 345.439 3.688 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cccc(N3CCCC3)c2)c1 ZINC000909832161 1041030083 /nfs/dbraw/zinc/03/00/83/1041030083.db2.gz FGYZZYIUORJVAO-AWEZNQCLSA-N -1 0 338.407 3.727 20 0 EHADRM CCC(CC)n1ccc(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)n1 ZINC000909833318 1041031485 /nfs/dbraw/zinc/03/14/85/1041031485.db2.gz HPAADLOYCMPICG-LBPRGKRZSA-N -1 0 329.400 3.685 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)CCc2ncc(C(C)(C)C)o2)cc1 ZINC000909836139 1041035218 /nfs/dbraw/zinc/03/52/18/1041035218.db2.gz LUNCJAQCVSWMHL-GFCCVEGCSA-N -1 0 344.411 3.732 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cc1O)c1cccc(Cl)c1Cl ZINC000481569557 1041088227 /nfs/dbraw/zinc/08/82/27/1041088227.db2.gz LMLBUQUSYNYOTM-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM CC(C)CC(=O)Nc1ccc(NC(=O)[C@H](CC(=O)[O-])CC(C)C)cc1 ZINC000899762344 1041091078 /nfs/dbraw/zinc/09/10/78/1041091078.db2.gz RKPHZZHJEJQIAE-AWEZNQCLSA-N -1 0 348.443 3.747 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])C[C@H]1C(=O)Nc1ccc(Oc2ccncc2)cc1 ZINC000899764630 1041093928 /nfs/dbraw/zinc/09/39/28/1041093928.db2.gz ACWNAZCDZVBNIR-LPHOPBHVSA-N -1 0 340.379 3.559 20 0 EHADRM Cc1ccc(-c2ccncc2)cc1NC(=O)[C@@H]1C[C@@]1(C(=O)[O-])C(C)C ZINC000899767437 1041097927 /nfs/dbraw/zinc/09/79/27/1041097927.db2.gz RHCZGHCEHPXMOP-OXJNMPFZSA-N -1 0 338.407 3.742 20 0 EHADRM Cc1ccc([C@H](CC(=O)N[C@H]2CCCc3sccc32)C(=O)[O-])cc1 ZINC000899780658 1041103454 /nfs/dbraw/zinc/10/34/54/1041103454.db2.gz JLCJZNOJEJMWPA-HOTGVXAUSA-N -1 0 343.448 3.809 20 0 EHADRM CC(C)[C@@H](NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-])c1ccccc1F ZINC000899791814 1041132621 /nfs/dbraw/zinc/13/26/21/1041132621.db2.gz HZEJKSSVQZAVRX-NFRFBMBCSA-N -1 0 345.414 3.552 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2O)cc1C(F)(F)F ZINC000481600553 1041132754 /nfs/dbraw/zinc/13/27/54/1041132754.db2.gz ANPODKUMJQCWEC-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM Cc1ccccc1[C@@H]1CCCN1C(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-] ZINC000899799169 1041137454 /nfs/dbraw/zinc/13/74/54/1041137454.db2.gz OYAMOZKZOMRYMT-GDVVZNNXSA-N -1 0 339.435 3.572 20 0 EHADRM Cc1ccc([C@H](CC(=O)NC(C)(C)c2cccs2)C(=O)[O-])cc1 ZINC000899813200 1041159268 /nfs/dbraw/zinc/15/92/68/1041159268.db2.gz HHBMNXQHCCBJEY-AWEZNQCLSA-N -1 0 331.437 3.666 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)NC[C@@H](c1ccccc1)C(F)(F)F ZINC000899822511 1041163581 /nfs/dbraw/zinc/16/35/81/1041163581.db2.gz QHLVLJZPNYGTCX-KGLIPLIRSA-N -1 0 345.361 3.586 20 0 EHADRM Cc1ccc([C@H](CC(=O)N[C@H]2CSc3ccccc32)C(=O)[O-])cc1 ZINC000899819804 1041175487 /nfs/dbraw/zinc/17/54/87/1041175487.db2.gz QHJCIBDZGWJNSL-HOTGVXAUSA-N -1 0 341.432 3.517 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)[C@@H]2CC(C)(C)Oc3ccccc32)s[n-]1 ZINC000411971758 1041186203 /nfs/dbraw/zinc/18/62/03/1041186203.db2.gz KHYQFFNGUKYWFG-GFCCVEGCSA-N -1 0 345.468 3.541 20 0 EHADRM Cc1ccc([C@H](CC(=O)N2CC3CC2(c2ccccc2)C3)C(=O)[O-])cc1 ZINC000899828959 1041188246 /nfs/dbraw/zinc/18/82/46/1041188246.db2.gz VIAVAWXMCKHSHD-UEUGHCDMSA-N -1 0 349.430 3.701 20 0 EHADRM O=C([O-])c1csc([C@@H]2CCCN2C(=O)C2CCC(C3CC3)CC2)n1 ZINC000910105238 1041193166 /nfs/dbraw/zinc/19/31/66/1041193166.db2.gz UEWTXAQCMSIUKG-PIMMBPRGSA-N -1 0 348.468 3.721 20 0 EHADRM O=C([O-])[C@@]1(Cc2ccccc2)CCCN1C(=O)c1coc(C(F)F)c1 ZINC000910108841 1041193873 /nfs/dbraw/zinc/19/38/73/1041193873.db2.gz UBXJZVOEDTXRSK-SFHVURJKSA-N -1 0 349.333 3.519 20 0 EHADRM C[C@@]1(C(=O)[O-])[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccc(F)c(C(F)F)c1 ZINC000899832326 1041194605 /nfs/dbraw/zinc/19/46/05/1041194605.db2.gz DUJIHGJWUJHSQN-PRINBMEWSA-N -1 0 339.313 3.615 20 0 EHADRM CCC[C@]1(C(=O)[O-])CCCN1C(=O)c1coc(C2CCCCC2)n1 ZINC000910112669 1041194480 /nfs/dbraw/zinc/19/44/80/1041194480.db2.gz BSPBKAOCIHDVTO-GOSISDBHSA-N -1 0 334.416 3.582 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccccc2Oc2ccccn2)CCCC1 ZINC000899843491 1041204468 /nfs/dbraw/zinc/20/44/68/1041204468.db2.gz SJCKGBDKOZWPJB-UHFFFAOYSA-N -1 0 340.379 3.848 20 0 EHADRM CC[C@](C)(NC(=O)NC[C@@H](C)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000555845366 1041217730 /nfs/dbraw/zinc/21/77/30/1041217730.db2.gz KNMSSQKSRZMQNH-PSLIRLAXSA-N -1 0 347.242 3.649 20 0 EHADRM Cc1cccc([C@H](C)CNC(=O)N(C)C2(C(=O)[O-])CCCCC2)c1 ZINC000555846175 1041233553 /nfs/dbraw/zinc/23/35/53/1041233553.db2.gz RVUGAXWEBMFJJQ-OAHLLOKOSA-N -1 0 332.444 3.527 20 0 EHADRM Cc1cccc(CN(CC(C)C)C(=O)c2ccoc2CC(=O)[O-])c1 ZINC000910192103 1041234412 /nfs/dbraw/zinc/23/44/12/1041234412.db2.gz MLQGAHAEPYREGL-UHFFFAOYSA-N -1 0 329.396 3.514 20 0 EHADRM C/C=C\C[C@H](NC(=O)Nc1ccc2nc(C(C)C)sc2c1)C(=O)[O-] ZINC000555851725 1041242696 /nfs/dbraw/zinc/24/26/96/1041242696.db2.gz LBECIRRZPBLUSZ-ZFDPJTLLSA-N -1 0 347.440 3.961 20 0 EHADRM CSCCCCC(=O)N[C@@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC000909326375 1041244768 /nfs/dbraw/zinc/24/47/68/1041244768.db2.gz PAHXNZPFYZALFW-AWEZNQCLSA-N -1 0 341.498 3.574 20 0 EHADRM CC(C)CC[C@@H](O)CSc1n[n-]c(=NC2CCCCC2)s1 ZINC000481707120 1041279696 /nfs/dbraw/zinc/27/96/96/1041279696.db2.gz MWCZWJHVNJFFAT-CYBMUJFWSA-N -1 0 329.535 3.594 20 0 EHADRM O=C([O-])C1(C(=O)NCc2cccc3ccsc32)CC2(CCC2)C1 ZINC000659164011 1041375701 /nfs/dbraw/zinc/37/57/01/1041375701.db2.gz NTVQQXATDMDQHO-UHFFFAOYSA-N -1 0 329.421 3.553 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2ccc3c4c(cccc42)CC3)cc1 ZINC000431993543 1041453876 /nfs/dbraw/zinc/45/38/76/1041453876.db2.gz QZJAOWAJJNQHIP-UHFFFAOYSA-N -1 0 331.371 3.818 20 0 EHADRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000511695570 1041457617 /nfs/dbraw/zinc/45/76/17/1041457617.db2.gz NTYNLYMHUWOEAG-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM CC(C)C[C@H](CNC(=O)Cc1csc2ccccc12)CC(=O)[O-] ZINC000652087602 1041478248 /nfs/dbraw/zinc/47/82/48/1041478248.db2.gz NFVVTAWGEDHVAK-ZDUSSCGKSA-N -1 0 333.453 3.697 20 0 EHADRM O=S(=O)([N-]c1cccc2c1OCO2)c1ccc(Cl)c(Cl)c1 ZINC000543869838 1041558456 /nfs/dbraw/zinc/55/84/56/1041558456.db2.gz KUFPWNJDIYQUJI-UHFFFAOYSA-N -1 0 346.191 3.523 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2cccc(C(=O)[O-])c2)C(F)(F)F)c1 ZINC000432097401 1041591978 /nfs/dbraw/zinc/59/19/78/1041591978.db2.gz LVGQMPJVSFTICO-CQSZACIVSA-N -1 0 337.297 3.727 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000659165671 1041623277 /nfs/dbraw/zinc/62/32/77/1041623277.db2.gz BNOLBGPLOPSQPS-UWVGGRQHSA-N -1 0 327.833 3.891 20 0 EHADRM CC(C)(C)c1n[n-]c(=NCCCCOCCc2ccccc2)s1 ZINC000432129291 1041629252 /nfs/dbraw/zinc/62/92/52/1041629252.db2.gz KIGNLEXJUHLDRV-UHFFFAOYSA-N -1 0 333.501 3.709 20 0 EHADRM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cccc(C(=O)[O-])c1)[C@H]2C ZINC000432135368 1041630612 /nfs/dbraw/zinc/63/06/12/1041630612.db2.gz HRZJYGQUXDECDJ-OLZOCXBDSA-N -1 0 339.391 3.541 20 0 EHADRM COC(=O)c1cc(Cl)c(Nc2ccc(C(=O)[O-])c(C)c2)cc1OC ZINC001211660600 1041683497 /nfs/dbraw/zinc/68/34/97/1041683497.db2.gz BXAWNLIRXPFKGV-UHFFFAOYSA-N -1 0 349.770 3.885 20 0 EHADRM CCOc1cc(Nc2ccc(C(=O)[O-])c(C)c2)cc(C(=O)OC)c1 ZINC001211660713 1041694272 /nfs/dbraw/zinc/69/42/72/1041694272.db2.gz IAXVARPTMJRNTO-UHFFFAOYSA-N -1 0 329.352 3.622 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(C)cc(F)c2)c1 ZINC000432197893 1041764098 /nfs/dbraw/zinc/76/40/98/1041764098.db2.gz GYCCWOQXKGBMEP-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1coc(C2CCC2)n1)c1ccc(Cl)cc1 ZINC000909362335 1042124999 /nfs/dbraw/zinc/12/49/99/1042124999.db2.gz YPGASWRKEMUJCI-ZDUSSCGKSA-N -1 0 348.786 3.541 20 0 EHADRM Cc1cc(-c2cccc(F)c2)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC000662887645 1042190152 /nfs/dbraw/zinc/19/01/52/1042190152.db2.gz LXDWAGFSRJSRBO-CQSZACIVSA-N -1 0 343.402 3.672 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)Cc1cccc(C(F)F)c1 ZINC000909373590 1042277654 /nfs/dbraw/zinc/27/76/54/1042277654.db2.gz AULOWLTVQKGGJF-INIZCTEOSA-N -1 0 347.361 3.807 20 0 EHADRM O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1cc(F)c([O-])c(Cl)c1 ZINC000184211874 1042290237 /nfs/dbraw/zinc/29/02/37/1042290237.db2.gz MDRMNOAZVIXISS-UHFFFAOYSA-N -1 0 348.761 3.786 20 0 EHADRM O=C(NCc1ccccc1OC(F)F)c1cc(F)c([O-])c(Cl)c1 ZINC000184212633 1042297526 /nfs/dbraw/zinc/29/75/26/1042297526.db2.gz GIKYWRWZSQMMFO-UHFFFAOYSA-N -1 0 345.704 3.716 20 0 EHADRM O=C(c1c([O-])cc(Cl)cc1Cl)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000628650522 1042311555 /nfs/dbraw/zinc/31/15/55/1042311555.db2.gz APPINQBNPGSKHP-ZJUUUORDSA-N -1 0 332.252 3.809 20 0 EHADRM Cc1cc(C)c(CC(=O)N[C@H](CC(=O)[O-])c2ccccc2C)s1 ZINC000909376464 1042320894 /nfs/dbraw/zinc/32/08/94/1042320894.db2.gz QFVPDNJZXDBQIP-OAHLLOKOSA-N -1 0 331.437 3.548 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000663085219 1042436731 /nfs/dbraw/zinc/43/67/31/1042436731.db2.gz FHYJWPSRKSBANF-OAHLLOKOSA-N -1 0 342.395 3.904 20 0 EHADRM CCOc1cccc2cc([C@@H](C)NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)oc21 ZINC000663094220 1042443505 /nfs/dbraw/zinc/44/35/05/1042443505.db2.gz HWBPLXQPOCIKPB-ABAIWWIYSA-N -1 0 347.411 3.756 20 0 EHADRM COc1ccc(Cl)c(NS(=O)(=O)c2ccc(Cl)s2)c1 ZINC000049124530 1042444266 /nfs/dbraw/zinc/44/42/66/1042444266.db2.gz OKFMGXNPCLJGQZ-UHFFFAOYSA-N -1 0 338.237 3.864 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N2C[C@@H](C)C(F)(F)[C@H](C)C2)s1 ZINC000626236398 1042448687 /nfs/dbraw/zinc/44/86/87/1042448687.db2.gz WCLDJSCDTKFKJR-NXEZZACHSA-N -1 0 346.447 3.619 20 0 EHADRM CCN(C(=O)c1cc(C2CC2)nc2ccc(Cl)cc21)[C@H](C)C(=O)[O-] ZINC000663123542 1042474245 /nfs/dbraw/zinc/47/42/45/1042474245.db2.gz CONMTYPEGSSXSQ-SNVBAGLBSA-N -1 0 346.814 3.701 20 0 EHADRM C[C@@H](C(=O)NC[C@@H](C(=O)[O-])C1CCC1)c1c(Cl)cccc1Cl ZINC000663149629 1042495157 /nfs/dbraw/zinc/49/51/57/1042495157.db2.gz YRUMGARORSKFHN-MWLCHTKSSA-N -1 0 344.238 3.714 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663154326 1042500094 /nfs/dbraw/zinc/50/00/94/1042500094.db2.gz ZXACQINUNWVKBU-ZDUSSCGKSA-N -1 0 335.400 3.580 20 0 EHADRM O=C([O-])[C@H](CNC(=O)CCCc1csc2ccccc12)C1CCC1 ZINC000663154709 1042500207 /nfs/dbraw/zinc/50/02/07/1042500207.db2.gz MGTFCTJIVGIYMA-MRXNPFEDSA-N -1 0 345.464 3.841 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])Cc1csc(Nc2ccccc2)n1 ZINC000662224378 1042615832 /nfs/dbraw/zinc/61/58/32/1042615832.db2.gz AXIDZCVMJGFWFY-UHFFFAOYSA-N -1 0 333.457 3.819 20 0 EHADRM O=C(NCc1cc(Cl)cc2c1OCC2)c1ccc([O-])c(Cl)c1 ZINC000184861676 1042619222 /nfs/dbraw/zinc/61/92/22/1042619222.db2.gz LFTYUZYBAOELLD-UHFFFAOYSA-N -1 0 338.190 3.564 20 0 EHADRM O=C(c1ccc(Cl)cc1O)N1CCO[C@H](CCc2ccccc2)C1 ZINC000185602032 1042636028 /nfs/dbraw/zinc/63/60/28/1042636028.db2.gz XGPMZPQCTHADEF-MRXNPFEDSA-N -1 0 345.826 3.519 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)Nc1ccccc1CCC(F)(F)F)C(=O)[O-] ZINC000601985760 1042653939 /nfs/dbraw/zinc/65/39/39/1042653939.db2.gz CJXZBQBYTIMSKJ-VHSXEESVSA-N -1 0 349.374 3.715 20 0 EHADRM CCOc1ccccc1[C@H](CC)NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000186755407 1042699308 /nfs/dbraw/zinc/69/93/08/1042699308.db2.gz KUTYHLQNQKYRAN-HNNXBMFYSA-N -1 0 335.350 3.950 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2ccccc2-c2cccs2)CCC1 ZINC000663338659 1042720741 /nfs/dbraw/zinc/72/07/41/1042720741.db2.gz LUINVJJQAXNWCY-UHFFFAOYSA-N -1 0 330.409 3.792 20 0 EHADRM CCOC(=O)c1cc(NC(=O)c2c([O-])cccc2F)ccc1Cl ZINC000613903180 1042798105 /nfs/dbraw/zinc/79/81/05/1042798105.db2.gz PZRVCHRPWYYXRO-UHFFFAOYSA-N -1 0 337.734 3.614 20 0 EHADRM CC[C@H](CC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC000653331235 1042868153 /nfs/dbraw/zinc/86/81/53/1042868153.db2.gz OOWMXZJIILMTNM-NIKGAXFTSA-N -1 0 337.419 4.000 20 0 EHADRM C[C@H](CC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccccc1F ZINC000653331211 1042868259 /nfs/dbraw/zinc/86/82/59/1042868259.db2.gz OIJNKMIUHUEOQO-PZPSRYQVSA-N -1 0 341.382 3.749 20 0 EHADRM CCO[N-]C(=O)C(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1 ZINC000785357631 1042889976 /nfs/dbraw/zinc/88/99/76/1042889976.db2.gz JXFRVFVWLOUEIA-CYBMUJFWSA-N -1 0 344.436 3.546 20 0 EHADRM COCCSc1ccc([C@@H](C)N=c2[n-]nc(C(C)C)s2)cc1 ZINC000432355308 1042992925 /nfs/dbraw/zinc/99/29/25/1042992925.db2.gz CRVSJJKRPJXLED-GFCCVEGCSA-N -1 0 337.514 3.995 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000315475818 1042999207 /nfs/dbraw/zinc/99/92/07/1042999207.db2.gz ZDLLZDAMTUXSPY-SNVBAGLBSA-N -1 0 344.238 3.985 20 0 EHADRM CSc1ccc(C)c(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000322208615 1043018743 /nfs/dbraw/zinc/01/87/43/1043018743.db2.gz VCWYNCAFNQPRNS-CYBMUJFWSA-N -1 0 335.469 3.680 20 0 EHADRM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc(Cl)nc1 ZINC000006315973 1043172998 /nfs/dbraw/zinc/17/29/98/1043172998.db2.gz QVZDIFBVVMKPNP-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCSc2ccc(F)cc2)ccc1F ZINC000320024315 1043856246 /nfs/dbraw/zinc/85/62/46/1043856246.db2.gz NHYKTWZUXRCSRZ-UHFFFAOYSA-N -1 0 337.347 3.784 20 0 EHADRM COc1ccc2c(c1)N(C(=O)c1ncc3ccccc3c1[O-])CCC2 ZINC001167875991 1044173579 /nfs/dbraw/zinc/17/35/79/1044173579.db2.gz DBYUMACHWNWKRC-UHFFFAOYSA-N -1 0 334.375 3.542 20 0 EHADRM Cc1ccc(CCC(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1Cl ZINC000324150912 1044199767 /nfs/dbraw/zinc/19/97/67/1044199767.db2.gz YILAXIZGZMPIJX-UAGQMJEPSA-N -1 0 349.858 3.825 20 0 EHADRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1cccc(CC#N)c1 ZINC000147616734 1044381594 /nfs/dbraw/zinc/38/15/94/1044381594.db2.gz SXEGPGIZVOQUDK-QGZVFWFLSA-N -1 0 341.370 3.748 20 0 EHADRM C[C@H]1C[C@H](CCNS(=O)(=O)c2cc([O-])cc(F)c2)CC(C)(C)C1 ZINC001211705979 1044446873 /nfs/dbraw/zinc/44/68/73/1044446873.db2.gz ZSHZRBCLTHSZGB-STQMWFEESA-N -1 0 343.464 3.662 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@H]2COc3c2ccc(Cl)c3Cl)s[n-]1 ZINC000337847501 1044498502 /nfs/dbraw/zinc/49/85/02/1044498502.db2.gz DNAUWOKYBGMCTR-RCOVLWMOSA-N -1 0 346.239 3.520 20 0 EHADRM O=S(=O)([N-]c1ccc2cc[nH]c2c1)c1ccccc1-c1ccno1 ZINC000432642424 1044572796 /nfs/dbraw/zinc/57/27/96/1044572796.db2.gz MATBTUATGVCDJM-UHFFFAOYSA-N -1 0 339.376 3.624 20 0 EHADRM O=C(c1s[n-]c(=O)c1Cl)N1CCC[C@@H](C2CCCCC2)C1 ZINC000620690564 1125648660 /nfs/dbraw/zinc/64/86/60/1125648660.db2.gz XWYNUORCELMOFV-LLVKDONJSA-N -1 0 328.865 3.935 20 0 EHADRM Cc1ccc(C([O-])=CS(=O)(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000322532480 1125722490 /nfs/dbraw/zinc/72/24/90/1125722490.db2.gz ZGMAGTJPZWCCTF-UHFFFAOYSA-N -1 0 343.231 3.958 20 0 EHADRM O=S(=O)(C[C@@H]1CCCCO1)Nc1cccc(-c2cccs2)c1 ZINC000172591299 1126800088 /nfs/dbraw/zinc/80/00/88/1126800088.db2.gz FQWGWFXYJLQYKL-HNNXBMFYSA-N -1 0 337.466 3.726 20 0 EHADRM CSc1cc2c(cc1CNc1cccc(C(=O)[O-])c1C)OCCO2 ZINC000336876286 1126813640 /nfs/dbraw/zinc/81/36/40/1126813640.db2.gz CRNVDUDREAQOCS-UHFFFAOYSA-N -1 0 345.420 3.798 20 0 EHADRM CCCc1cc(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)sc1C ZINC000336877949 1126814243 /nfs/dbraw/zinc/81/42/43/1126814243.db2.gz ZUBZDGZRJBWQQF-INIZCTEOSA-N -1 0 343.448 3.833 20 0 EHADRM CC[C@@H](CC(F)F)C(=O)N=c1ccc(-c2ccc(Cl)s2)n[n-]1 ZINC000622929322 1126834724 /nfs/dbraw/zinc/83/47/24/1126834724.db2.gz MDLDTGBHCUBXPI-QMMMGPOBSA-N -1 0 345.802 3.900 20 0 EHADRM Cc1cccc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)c1 ZINC000192705739 1126929654 /nfs/dbraw/zinc/92/96/54/1126929654.db2.gz XFRAHJBYWSZQNL-UHFFFAOYSA-N -1 0 338.432 3.782 20 0 EHADRM O=C(c1[n-]cnc1-c1nc([C@H]2CCCCS2)no1)c1ccccc1 ZINC000350184053 1127065976 /nfs/dbraw/zinc/06/59/76/1127065976.db2.gz RXTMQXIQFKTAPA-GFCCVEGCSA-N -1 0 340.408 3.649 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2F)cc1Cl ZINC000181196006 1127269556 /nfs/dbraw/zinc/26/95/56/1127269556.db2.gz ZBOJMFGGCVIKNX-UHFFFAOYSA-N -1 0 341.791 3.791 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)cc1F ZINC000182483353 1127332196 /nfs/dbraw/zinc/33/21/96/1127332196.db2.gz OYZONTCGSKRAQD-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1 ZINC000325109857 1127333390 /nfs/dbraw/zinc/33/33/90/1127333390.db2.gz DAOMCDOUHFCKSO-TWGQIWQCSA-N -1 0 333.290 3.638 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)c(C)o1 ZINC000182785803 1127347671 /nfs/dbraw/zinc/34/76/71/1127347671.db2.gz LYQZGYDRIUBTRY-UHFFFAOYSA-N -1 0 348.346 3.671 20 0 EHADRM C[C@@](CNC(=O)CC/C=C/c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000193071167 1127432411 /nfs/dbraw/zinc/43/24/11/1127432411.db2.gz XQCPLCKSRQOWTQ-HSRJRILOSA-N -1 0 337.419 3.639 20 0 EHADRM CC(C)c1ccc(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)s1 ZINC000193084307 1127432550 /nfs/dbraw/zinc/43/25/50/1127432550.db2.gz WSOCCIIALZDRRA-SFHVURJKSA-N -1 0 331.437 3.644 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(Br)c2)s1 ZINC000386518277 1127690017 /nfs/dbraw/zinc/69/00/17/1127690017.db2.gz NHNJKFPVSBUHNB-UHFFFAOYSA-N -1 0 346.271 3.928 20 0 EHADRM COc1cc(OC)c(NC(=O)c2ccc(Cl)cc2[O-])cc1Cl ZINC000387014835 1127722392 /nfs/dbraw/zinc/72/23/92/1127722392.db2.gz HMALMAOAWVQCHT-UHFFFAOYSA-N -1 0 342.178 3.969 20 0 EHADRM CC(C)[C@H](CNC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000671643403 1127758334 /nfs/dbraw/zinc/75/83/34/1127758334.db2.gz WMJZDVIFSKXUHX-BBWFWOEESA-N -1 0 349.858 3.863 20 0 EHADRM O=S(=O)([N-]c1cc(-c2cccc(Cl)c2)[nH]n1)c1ccsc1 ZINC000671660515 1127765337 /nfs/dbraw/zinc/76/53/37/1127765337.db2.gz XOSLKGUIGHHLRP-UHFFFAOYSA-N -1 0 339.829 3.592 20 0 EHADRM CCCOc1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000032599830 1127854354 /nfs/dbraw/zinc/85/43/54/1127854354.db2.gz LBMWXDIARXIMMX-UHFFFAOYSA-N -1 0 345.342 3.694 20 0 EHADRM O=S(=O)([N-]c1ccccc1-c1cccs1)c1cncc(F)c1 ZINC000063476522 1128145724 /nfs/dbraw/zinc/14/57/24/1128145724.db2.gz DDSHNZCJCPEEBW-UHFFFAOYSA-N -1 0 334.397 3.750 20 0 EHADRM CC(C)CCC(=O)N[N-]C(=O)c1sc2cc(F)ccc2c1Cl ZINC000030888230 1128194755 /nfs/dbraw/zinc/19/47/55/1128194755.db2.gz AAYBOWRUJSDMOC-UHFFFAOYSA-N -1 0 342.823 3.891 20 0 EHADRM O=S(=O)([N-]c1nc2cc(F)c(F)cc2s1)c1ccc(F)cc1 ZINC000066254331 1128212451 /nfs/dbraw/zinc/21/24/51/1128212451.db2.gz PABTWQKOUVGZRK-UHFFFAOYSA-N -1 0 344.339 3.514 20 0 EHADRM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(C)s2)cc1Cl ZINC000069572811 1128288471 /nfs/dbraw/zinc/28/84/71/1128288471.db2.gz NAXCOTOCSHRASX-UHFFFAOYSA-N -1 0 347.845 3.528 20 0 EHADRM O=C(Nc1nnc(-c2ccccc2)s1)c1ccc([O-])c(Cl)c1 ZINC000070888804 1128296259 /nfs/dbraw/zinc/29/62/59/1128296259.db2.gz BWOBFRRLOHVPFP-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2c(C)c(C)nn2C)cc1 ZINC000072913340 1128309708 /nfs/dbraw/zinc/30/97/08/1128309708.db2.gz YKUQJEYUNYWPLR-UHFFFAOYSA-N -1 0 335.473 3.525 20 0 EHADRM CC(C)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000073532643 1128392182 /nfs/dbraw/zinc/39/21/82/1128392182.db2.gz YWKUJSNEUHFARW-QMMMGPOBSA-N -1 0 341.326 3.782 20 0 EHADRM O=C([N-]S(=O)(=O)CC1CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000073539539 1128395858 /nfs/dbraw/zinc/39/58/58/1128395858.db2.gz ANSSZUYLWSFVKW-UHFFFAOYSA-N -1 0 339.413 3.599 20 0 EHADRM O=C(Nc1ccc(O)c(Cl)c1)c1ccc(Br)cc1[O-] ZINC000085204471 1128421850 /nfs/dbraw/zinc/42/18/50/1128421850.db2.gz XRDGLUBTLWUTRE-UHFFFAOYSA-N -1 0 342.576 3.766 20 0 EHADRM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2O)cc1 ZINC000091017816 1128454569 /nfs/dbraw/zinc/45/45/69/1128454569.db2.gz IAEYYGLUOKDOCH-UHFFFAOYSA-N -1 0 341.816 3.634 20 0 EHADRM FC(F)(F)c1cc(CN=c2nc(C(F)(F)F)[n-]s2)cs1 ZINC000624703023 1128460904 /nfs/dbraw/zinc/46/09/04/1128460904.db2.gz CXXBHNJQNDGCMM-UHFFFAOYSA-N -1 0 333.282 3.671 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000268480554 1128540202 /nfs/dbraw/zinc/54/02/02/1128540202.db2.gz YQLAGHLZFRSBHH-IPYPFGDCSA-N -1 0 343.402 3.510 20 0 EHADRM O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1c(O)cccc1Cl ZINC000765843963 1128546836 /nfs/dbraw/zinc/54/68/36/1128546836.db2.gz UQCQMYRLPKMAEZ-XJKSGUPXSA-N -1 0 331.799 3.696 20 0 EHADRM [O-]c1c(Br)cccc1-c1nc(Cc2ccccc2)no1 ZINC000542709718 1128552471 /nfs/dbraw/zinc/55/24/71/1128552471.db2.gz FEZMNRHRDUATGU-UHFFFAOYSA-N -1 0 331.169 3.796 20 0 EHADRM CCCCc1n[n-]c(=NCc2cscc2Br)s1 ZINC000508682481 1128669672 /nfs/dbraw/zinc/66/96/72/1128669672.db2.gz WMWNYBWERBORSH-UHFFFAOYSA-N -1 0 332.292 3.739 20 0 EHADRM COCc1cc(CNC(=O)c2cc(O)c3ccccc3c2)ccc1F ZINC000354254753 1128721735 /nfs/dbraw/zinc/72/17/35/1128721735.db2.gz LMLWZPRRNUQVOW-UHFFFAOYSA-N -1 0 339.366 3.761 20 0 EHADRM CC(C)(CC(=O)Nc1cccc(COc2ccccc2)c1)C(=O)[O-] ZINC000734506373 1131243287 /nfs/dbraw/zinc/24/32/87/1131243287.db2.gz OXQILMNOQHKFNP-UHFFFAOYSA-N -1 0 327.380 3.705 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@@H](C)Cc2ccccc2Cl)cc1C(=O)[O-] ZINC000263183475 1120253680 /nfs/dbraw/zinc/25/36/80/1120253680.db2.gz RSJLJYQSWZXLPY-NSHDSACASA-N -1 0 349.814 3.777 20 0 EHADRM CC(C)OCc1cccc([N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000063849447 1128902389 /nfs/dbraw/zinc/90/23/89/1128902389.db2.gz GCMMEQCSAZPTNM-UHFFFAOYSA-N -1 0 341.379 3.691 20 0 EHADRM CC[C@@H](NCc1cc2ccccc2c(OC)c1)c1nc(C(=O)[O-])c[nH]1 ZINC000904065430 1120351308 /nfs/dbraw/zinc/35/13/08/1120351308.db2.gz QIWZBYQBHHFSJK-OAHLLOKOSA-N -1 0 339.395 3.511 20 0 EHADRM Cn1ccc2ccc([N-]S(=O)(=O)c3c[nH]c4cccc(F)c43)cc21 ZINC000185214464 1120404452 /nfs/dbraw/zinc/40/44/52/1120404452.db2.gz XFOZALNRLKYFQK-UHFFFAOYSA-N -1 0 343.383 3.600 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1nc(C)c(Cl)cc1Cl ZINC000186507776 1120464775 /nfs/dbraw/zinc/46/47/75/1120464775.db2.gz OSVWYTLJLJTARQ-UHFFFAOYSA-N -1 0 349.214 3.945 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2c(C)cccc2F)cc1-c1ncco1 ZINC000187028028 1120484303 /nfs/dbraw/zinc/48/43/03/1120484303.db2.gz KNTBBHLABLOPBN-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM CCc1ncsc1C(=O)Nc1nnc(/C=C/c2ccco2)s1 ZINC000152569601 1120542705 /nfs/dbraw/zinc/54/27/05/1120542705.db2.gz RRZAOEFUMQGVNL-AATRIKPKSA-N -1 0 332.410 3.573 20 0 EHADRM CCc1c([N-]S(=O)(=O)c2ccccc2)cnn1-c1cccc(C)c1 ZINC000189460851 1120587962 /nfs/dbraw/zinc/58/79/62/1120587962.db2.gz OJWJYEIUOVXSEJ-UHFFFAOYSA-N -1 0 341.436 3.544 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)sc1Cl ZINC000190336159 1120633636 /nfs/dbraw/zinc/63/36/36/1120633636.db2.gz JYJMCTPCFPRQMO-UHFFFAOYSA-N -1 0 329.830 3.541 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2nnc(-c3cccs3)o2)c(C)c1 ZINC000193123189 1120759876 /nfs/dbraw/zinc/75/98/76/1120759876.db2.gz KFZBTGLFQTWLOV-UHFFFAOYSA-N -1 0 349.437 3.524 20 0 EHADRM CCOCCC1(CN=c2[n-]nc(Cc3ccc(F)cc3)s2)CCC1 ZINC000542508297 1120847239 /nfs/dbraw/zinc/84/72/39/1120847239.db2.gz SKKHLXRETNYBCU-UHFFFAOYSA-N -1 0 349.475 3.699 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccc(F)cc1F ZINC000761749040 1120874799 /nfs/dbraw/zinc/87/47/99/1120874799.db2.gz PRQZKSRLGFNWGC-VIFPVBQESA-N -1 0 337.297 3.934 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)CC2(C(=O)[O-])CCCC2)cc1 ZINC000494876106 1120890511 /nfs/dbraw/zinc/89/05/11/1120890511.db2.gz VYOMECMYRVZJCP-UHFFFAOYSA-N -1 0 331.412 3.889 20 0 EHADRM CCCC1(C(=O)[N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)CCC1 ZINC000762174118 1121146387 /nfs/dbraw/zinc/14/63/87/1121146387.db2.gz WMQJAZDKFDCDRM-UHFFFAOYSA-N -1 0 347.839 3.563 20 0 EHADRM C[C@H](OC(=O)c1ccc([O-])c(Cl)c1)C(=O)c1cc(F)ccc1F ZINC000762824168 1121449060 /nfs/dbraw/zinc/44/90/60/1121449060.db2.gz QONDVDBRCMLGGC-QMMMGPOBSA-N -1 0 340.709 3.752 20 0 EHADRM CCS[C@@H](C)c1noc(COC(=O)c2ccc([O-])c(Cl)c2)n1 ZINC000762831002 1121452903 /nfs/dbraw/zinc/45/29/03/1121452903.db2.gz QFJHNOJSWZATCH-QMMMGPOBSA-N -1 0 342.804 3.600 20 0 EHADRM CC(C)(C)c1ccc(C(=O)NC[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000236577521 1121457821 /nfs/dbraw/zinc/45/78/21/1121457821.db2.gz ZDTLAWFQSSEDLZ-QGZVFWFLSA-N -1 0 339.435 3.657 20 0 EHADRM CC(C)C[C@@H](NC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000236578058 1121458055 /nfs/dbraw/zinc/45/80/55/1121458055.db2.gz LDRFCHMOIUOTFZ-COPLHBTASA-N -1 0 344.238 3.712 20 0 EHADRM Cc1cc(Cl)ccc1OCC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000237610457 1121489886 /nfs/dbraw/zinc/48/98/86/1121489886.db2.gz FUTNMMZFJYCBHJ-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM CSc1cc(C(=O)N=c2ccc(-c3ccccc3)n[n-]2)ccc1F ZINC000499547484 1128987726 /nfs/dbraw/zinc/98/77/26/1128987726.db2.gz ZTSDGVJYDCSECJ-UHFFFAOYSA-N -1 0 339.395 3.679 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)CSc2ccc(F)c(F)c2)c1 ZINC000238102813 1121502793 /nfs/dbraw/zinc/50/27/93/1121502793.db2.gz XFAZDEZXBLOFMY-UHFFFAOYSA-N -1 0 341.310 3.533 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CCCC3)cc1 ZINC000014221789 1121536453 /nfs/dbraw/zinc/53/64/53/1121536453.db2.gz XRYAAVWCTHVXON-UHFFFAOYSA-N -1 0 336.482 3.775 20 0 EHADRM COc1cccc(CCC(=O)Nc2ccc3[n-]c(=S)oc3c2)c1 ZINC000762966194 1121617172 /nfs/dbraw/zinc/61/71/72/1121617172.db2.gz AWUQMHUPKOTJPA-UHFFFAOYSA-N -1 0 328.393 3.696 20 0 EHADRM CCN(CC)C(=O)c1ccc(Nc2noc(C(C)(C)C)n2)c(OC)c1 ZINC001212460134 1128998462 /nfs/dbraw/zinc/99/84/62/1128998462.db2.gz SWISBSNILDMIEB-UHFFFAOYSA-N -1 0 346.431 3.601 20 0 EHADRM CCc1ccc(O)c([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000322312169 1121640112 /nfs/dbraw/zinc/64/01/12/1121640112.db2.gz YUXNCTOKFWMXEA-UHFFFAOYSA-N -1 0 345.342 3.774 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)CCc2ccccc2Cl)c1 ZINC000322696416 1121666439 /nfs/dbraw/zinc/66/64/39/1121666439.db2.gz KQEQCMNSRCIEKZ-UHFFFAOYSA-N -1 0 331.799 3.929 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)nn1-c1ccccc1 ZINC000915854908 1121692426 /nfs/dbraw/zinc/69/24/26/1121692426.db2.gz CIOQDNXTWDYGKW-XFXZXTDPSA-N -1 0 347.374 3.531 20 0 EHADRM Cc1ccn(-c2ccc(C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)cc2)n1 ZINC000915855332 1121692475 /nfs/dbraw/zinc/69/24/75/1121692475.db2.gz QSIHHRYMZVGCCL-NYYWCZLTSA-N -1 0 347.374 3.531 20 0 EHADRM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)cc3cccnc32)c1 ZINC000074795448 1121713127 /nfs/dbraw/zinc/71/31/27/1121713127.db2.gz NAGMYECIKREOEK-UHFFFAOYSA-N -1 0 340.404 3.547 20 0 EHADRM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)Nc1cccc2ccccc21 ZINC000106792884 1121769821 /nfs/dbraw/zinc/76/98/21/1121769821.db2.gz SGYFHGHKQMYDKT-LJQANCHMSA-N -1 0 346.386 3.883 20 0 EHADRM CCc1ccc(C(=O)N[C@H](C)c2cc(F)ccc2N(C)C)c(O)c1 ZINC001649024118 1121803391 /nfs/dbraw/zinc/80/33/91/1121803391.db2.gz WZMPJNRQELHULZ-GFCCVEGCSA-N -1 0 330.403 3.651 20 0 EHADRM Cc1cc(NC(=O)c2ccc(C(F)(F)F)cn2)cc(C(=O)[O-])c1C ZINC000326213113 1121845279 /nfs/dbraw/zinc/84/52/79/1121845279.db2.gz YXNOPDILKDUZTA-UHFFFAOYSA-N -1 0 338.285 3.668 20 0 EHADRM CCN(CC)C(=O)c1ccc(Nc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC001212471003 1129046456 /nfs/dbraw/zinc/04/64/56/1129046456.db2.gz HGESABLCGCXIQJ-UHFFFAOYSA-N -1 0 342.395 3.619 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)CCC2CCCC2)c1C ZINC000916804877 1122351288 /nfs/dbraw/zinc/35/12/88/1122351288.db2.gz YVOZTFIXHSOIHX-UHFFFAOYSA-N -1 0 337.485 3.696 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)/C=C\c1ccccc1Cl ZINC000324740943 1122718514 /nfs/dbraw/zinc/71/85/14/1122718514.db2.gz MEWVHUREWGHWLX-LPADLIQXSA-N -1 0 341.794 3.564 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]c1cc(C2CCCCC2)nn1C ZINC000129031790 1122719958 /nfs/dbraw/zinc/71/99/58/1122719958.db2.gz XQCZIRRJWBZSIB-UHFFFAOYSA-N -1 0 333.457 3.577 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cn(C)nc2C2CCCCC2)c(C)c1 ZINC000556268854 1122908160 /nfs/dbraw/zinc/90/81/60/1122908160.db2.gz GGWUEXNYKLJBQG-UHFFFAOYSA-N -1 0 347.484 3.885 20 0 EHADRM COc1ccccc1-c1n[n-]c(=NCc2ccc3ccccc3c2)o1 ZINC000556338410 1122935076 /nfs/dbraw/zinc/93/50/76/1122935076.db2.gz QZEABLXGMODJIZ-UHFFFAOYSA-N -1 0 331.375 3.932 20 0 EHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1c(C)n(C)c2ccccc21 ZINC000556351055 1122939821 /nfs/dbraw/zinc/93/98/21/1122939821.db2.gz SJJNXWDDZFZAMZ-UHFFFAOYSA-N -1 0 344.436 3.605 20 0 EHADRM COc1cc(C2(C(=O)[N-]OCCC(F)(F)F)CCCC2)ccc1C ZINC000154873868 1122961808 /nfs/dbraw/zinc/96/18/08/1122961808.db2.gz VFJPCGBBUIKAQV-UHFFFAOYSA-N -1 0 345.361 3.816 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCC(C)(C)c2ccccc2)cc1 ZINC000154955948 1123026429 /nfs/dbraw/zinc/02/64/29/1123026429.db2.gz YAHQNHFPEPRYGF-UHFFFAOYSA-N -1 0 345.464 3.558 20 0 EHADRM O=C([N-]OCCC(F)(F)F)[C@@H](Oc1ccccc1)c1ccccc1 ZINC000155081210 1123144811 /nfs/dbraw/zinc/14/48/11/1123144811.db2.gz SOHUDIHRTSNVCO-HNNXBMFYSA-N -1 0 339.313 3.807 20 0 EHADRM COc1cccc(CCC(=O)Nc2cc(F)cc(Cl)c2[O-])c1F ZINC000556968311 1123244485 /nfs/dbraw/zinc/24/44/85/1123244485.db2.gz IEYFQYZVTNJPKN-UHFFFAOYSA-N -1 0 341.741 3.904 20 0 EHADRM O=C(Nc1ccc2c(c1)CCCC(=O)N2)c1cc(F)cc(Cl)c1[O-] ZINC000132559925 1123249023 /nfs/dbraw/zinc/24/90/23/1123249023.db2.gz GSMOVWLINKIJRY-UHFFFAOYSA-N -1 0 348.761 3.712 20 0 EHADRM CC1(C)CCCC[C@@H]1CC(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000557083339 1123315280 /nfs/dbraw/zinc/31/52/80/1123315280.db2.gz DWFXIBSIACAWIN-CYBMUJFWSA-N -1 0 328.416 3.722 20 0 EHADRM COc1ccccc1CCN(C)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000132988919 1123325962 /nfs/dbraw/zinc/32/59/62/1123325962.db2.gz ADOCZWUCZJCOQL-UHFFFAOYSA-N -1 0 337.778 3.508 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000263033796 1123333270 /nfs/dbraw/zinc/33/32/70/1123333270.db2.gz RALRHXHPGLNXAY-WZYSVALVSA-N -1 0 329.440 3.783 20 0 EHADRM CC(C)OCc1cccc(NC(=O)CC2CCC(C(=O)[O-])CC2)c1 ZINC000649242850 1123357590 /nfs/dbraw/zinc/35/75/90/1123357590.db2.gz RAQLLDYKVIAYLU-UHFFFAOYSA-N -1 0 333.428 3.831 20 0 EHADRM O=C([O-])C1CCC(CC(=O)NCCCc2ccc(Cl)cc2)CC1 ZINC000649242900 1123360831 /nfs/dbraw/zinc/36/08/31/1123360831.db2.gz FXHHURUJZIFEFI-UHFFFAOYSA-N -1 0 337.847 3.670 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCC[C@@H]2C)cc1 ZINC000920788772 1123423597 /nfs/dbraw/zinc/42/35/97/1123423597.db2.gz JIALPQDIVWSSAO-HOCLYGCPSA-N -1 0 337.485 3.660 20 0 EHADRM O=C([O-])c1cccc2c1CN(C(=O)[C@@H]1CC[C@@H]3CCCC[C@@H]3C1)CC2 ZINC000649259173 1123467044 /nfs/dbraw/zinc/46/70/44/1123467044.db2.gz STEWCWFWIZAEDM-USXIJHARSA-N -1 0 341.451 3.876 20 0 EHADRM CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3cc(C)oc3C)cc2O1 ZINC000135571881 1123628913 /nfs/dbraw/zinc/62/89/13/1123628913.db2.gz SKRRXWAWYNFGOF-MRXNPFEDSA-N -1 0 337.397 3.595 20 0 EHADRM Cc1cc(F)c(S(=O)(=O)[N-]c2cccc3ncccc23)cc1F ZINC000135722030 1123641425 /nfs/dbraw/zinc/64/14/25/1123641425.db2.gz PMSNBSGQHDYHPL-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM O=S(=O)([N-]c1cccc2ncccc12)c1cc(F)ccc1Cl ZINC000135735349 1123642257 /nfs/dbraw/zinc/64/22/57/1123642257.db2.gz RAQLFPZNVHYBFV-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cccc(Cl)c1 ZINC000064690856 1123716641 /nfs/dbraw/zinc/71/66/41/1123716641.db2.gz MQHBVSGVTLHVBC-UHFFFAOYSA-N -1 0 348.182 3.826 20 0 EHADRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1F ZINC000064696385 1123718113 /nfs/dbraw/zinc/71/81/13/1123718113.db2.gz KQAAPBLWKRTOOB-UHFFFAOYSA-N -1 0 345.754 3.620 20 0 EHADRM Cc1cccc(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)c1Cl ZINC000080714988 1123761193 /nfs/dbraw/zinc/76/11/93/1123761193.db2.gz DGXXGXNOOGVPTB-UHFFFAOYSA-N -1 0 343.810 3.847 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)/C=C/SCc1ccco1 ZINC000237601812 1123786439 /nfs/dbraw/zinc/78/64/39/1123786439.db2.gz WHPZAWNKPBZXKG-XAVKZTDYSA-N -1 0 345.420 3.667 20 0 EHADRM Cc1nc([C@H](C)NC(=O)c2ccccc2C(C)(C)C)sc1C(=O)[O-] ZINC000237628109 1123797022 /nfs/dbraw/zinc/79/70/22/1123797022.db2.gz IJUCWCCBWQDWGT-NSHDSACASA-N -1 0 346.452 3.938 20 0 EHADRM C[C@@H](O)C[C@H](C)N=c1[n-]nc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000543047926 1129158497 /nfs/dbraw/zinc/15/84/97/1129158497.db2.gz IPNOLHYWFZZUSR-JGVFFNPUSA-N -1 0 332.256 3.505 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1 ZINC000237946506 1123925800 /nfs/dbraw/zinc/92/58/00/1123925800.db2.gz CJILVQVTLQIOMX-ZQBGMWFESA-N -1 0 325.339 3.666 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000237986242 1123933414 /nfs/dbraw/zinc/93/34/14/1123933414.db2.gz DFRNQAIWALRICV-GFCCVEGCSA-N -1 0 344.238 3.782 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)nc1 ZINC000238022570 1123947612 /nfs/dbraw/zinc/94/76/12/1123947612.db2.gz FPTPWDSMLXBCHO-UHFFFAOYSA-N -1 0 332.315 3.932 20 0 EHADRM CSc1cc(C(=O)N[C@@H](C)[C@H](C)C(=O)[O-])c(Cl)cc1Cl ZINC000263491266 1123952757 /nfs/dbraw/zinc/95/27/57/1123952757.db2.gz WVDAUKGENBVIQL-BQBZGAKWSA-N -1 0 336.240 3.554 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)C2(c3cccc(F)c3)CC2)cc1 ZINC000238153501 1123992884 /nfs/dbraw/zinc/99/28/84/1123992884.db2.gz MMMKIDKBNRBCRX-RMKNXTFCSA-N -1 0 325.339 3.594 20 0 EHADRM C[C@H](CN(C(=O)c1cc(Cl)cc(C(F)(F)F)c1)C1CC1)C(=O)[O-] ZINC000263542341 1124050498 /nfs/dbraw/zinc/05/04/98/1124050498.db2.gz RPCBGWLZMSUQHU-MRVPVSSYSA-N -1 0 349.736 3.684 20 0 EHADRM O=C(/C=C/c1cc([O-])ccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1Cl ZINC000180778396 1124075570 /nfs/dbraw/zinc/07/55/70/1124075570.db2.gz YWWZURTXUXKEKF-LZCJLJQNSA-N -1 0 348.698 3.758 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N[C@@H]1CCCc2sccc21 ZINC000263552087 1124084085 /nfs/dbraw/zinc/08/40/85/1124084085.db2.gz WYFPHKDBZZFISN-OAHLLOKOSA-N -1 0 329.421 3.573 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2CCC[C@@H]2CCCc2ccccc2)CC1 ZINC000263572206 1124573812 /nfs/dbraw/zinc/57/38/12/1124573812.db2.gz KPRWLEYYCPZSAF-FHWLQOOXSA-N -1 0 343.467 3.891 20 0 EHADRM O=C1CCCc2ccc([N-]S(=O)(=O)c3cc4ccccc4o3)cc21 ZINC000084921223 1124604535 /nfs/dbraw/zinc/60/45/35/1124604535.db2.gz HGVRVHKCHYZZSX-UHFFFAOYSA-N -1 0 341.388 3.753 20 0 EHADRM CCOCc1cccc([N-]S(=O)(=O)c2cc3ccccc3o2)c1 ZINC000084920450 1124604939 /nfs/dbraw/zinc/60/49/39/1124604939.db2.gz WSAPGSUPEQBLTI-UHFFFAOYSA-N -1 0 331.393 3.770 20 0 EHADRM O=C(/C=C/c1ccc(O)c(O)c1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000181295867 1124737932 /nfs/dbraw/zinc/73/79/32/1124737932.db2.gz MCHYPRXVLQUTPS-DUXPYHPUSA-N -1 0 340.162 3.762 20 0 EHADRM N#C/C(=C\c1cccc(OCC(=O)[O-])c1)C(=O)c1ccc(Cl)s1 ZINC000181306485 1124747281 /nfs/dbraw/zinc/74/72/81/1124747281.db2.gz IZVSMEXXKDKXQY-IZZDOVSWSA-N -1 0 347.779 3.655 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H]1C(=O)Nc1ccccc1OCc1ccccc1 ZINC000381210100 1124768410 /nfs/dbraw/zinc/76/84/10/1124768410.db2.gz UELZIVWYVYCNKV-HZPDHXFCSA-N -1 0 339.391 3.705 20 0 EHADRM CCCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)Cc1ccccc1 ZINC000735203688 1131316758 /nfs/dbraw/zinc/31/67/58/1131316758.db2.gz LARABFALFAQFKP-MRXNPFEDSA-N -1 0 325.474 3.629 20 0 EHADRM O=S(=O)([N-]c1ncccc1-c1ccccc1)c1ccc(F)c(F)c1 ZINC000092389065 1125094766 /nfs/dbraw/zinc/09/47/66/1125094766.db2.gz PPHZXSNCYGKPRP-UHFFFAOYSA-N -1 0 346.358 3.828 20 0 EHADRM CC(C)[C@H]1CCc2[n-]n(-c3ccc(Br)cn3)c(=O)c2C1 ZINC000634593681 1125133275 /nfs/dbraw/zinc/13/32/75/1125133275.db2.gz XHFACEPSTMFQRV-JQWIXIFHSA-N -1 0 336.233 3.619 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000070029634 1125162909 /nfs/dbraw/zinc/16/29/09/1125162909.db2.gz NVHUANUCSZUKLU-GFCCVEGCSA-N -1 0 335.400 3.837 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000619195004 1125311969 /nfs/dbraw/zinc/31/19/69/1125311969.db2.gz LDAJFTSZYYSXHP-XHDPSFHLSA-N -1 0 341.810 3.606 20 0 EHADRM CC(C)[C@H](O)[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000619911231 1125430807 /nfs/dbraw/zinc/43/08/07/1125430807.db2.gz MKBBIDVQDUWKCN-SJORKVTESA-N -1 0 333.815 3.534 20 0 EHADRM CN(c1ccccc1)[C@@H]1CCN(C(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000619995999 1125448563 /nfs/dbraw/zinc/44/85/63/1125448563.db2.gz GDMXTXOACYNXDO-CQSZACIVSA-N -1 0 348.805 3.536 20 0 EHADRM CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000314389210 1129256791 /nfs/dbraw/zinc/25/67/91/1129256791.db2.gz VLSOXNWINAYEEW-OLZOCXBDSA-N -1 0 342.222 3.619 20 0 EHADRM CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000314389213 1129256836 /nfs/dbraw/zinc/25/68/36/1129256836.db2.gz VLSOXNWINAYEEW-STQMWFEESA-N -1 0 342.222 3.619 20 0 EHADRM CSc1c(F)cc([N-]S(=O)(=O)c2cc(F)ccc2C)cc1F ZINC000543164671 1129304355 /nfs/dbraw/zinc/30/43/55/1129304355.db2.gz UCDPXFONZKLCIO-UHFFFAOYSA-N -1 0 347.383 3.935 20 0 EHADRM CC(C)(CNC(=O)c1ccc2[n-]c(=S)oc2c1)c1ccccc1F ZINC000735857503 1131386244 /nfs/dbraw/zinc/38/62/44/1131386244.db2.gz SXAHZRXENSMOHR-UHFFFAOYSA-N -1 0 344.411 3.963 20 0 EHADRM O=C(OCc1coc(-c2ccccc2)n1)c1c(F)cc([O-])cc1F ZINC000735951326 1131393979 /nfs/dbraw/zinc/39/39/79/1131393979.db2.gz VBTCYHUOOJAGDO-UHFFFAOYSA-N -1 0 331.274 3.682 20 0 EHADRM COc1c(C)cc(C)cc1S(=O)(=O)Nc1ccc(Cl)cc1F ZINC000509097593 1129745803 /nfs/dbraw/zinc/74/58/03/1129745803.db2.gz IMRFRWPBAUPXQB-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000673898144 1129896206 /nfs/dbraw/zinc/89/62/06/1129896206.db2.gz CDZSNPZYHXZCEZ-HOTGVXAUSA-N -1 0 345.439 3.916 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc3c(c2)CCCC(=O)N3)c(F)c1F ZINC001212514602 1129927439 /nfs/dbraw/zinc/92/74/39/1129927439.db2.gz BWYWTPSERBCOBK-UHFFFAOYSA-N -1 0 332.306 3.681 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(-n3ccccc3=O)cc2)c(F)c1F ZINC001212514758 1129927580 /nfs/dbraw/zinc/92/75/80/1129927580.db2.gz LAINSOWIKNESLU-UHFFFAOYSA-N -1 0 342.301 3.558 20 0 EHADRM COC(=O)c1cccc(Nc2ccc(C(=O)[O-])c(F)c2F)c1Cl ZINC001212515888 1129927994 /nfs/dbraw/zinc/92/79/94/1129927994.db2.gz UBGZTSIPJLLZAU-UHFFFAOYSA-N -1 0 341.697 3.847 20 0 EHADRM COc1ccc2cccnc2c1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212516016 1129928485 /nfs/dbraw/zinc/92/84/85/1129928485.db2.gz VHKROWYVHMPVQO-UHFFFAOYSA-N -1 0 330.290 3.963 20 0 EHADRM COC(=O)c1c(C)ccc(Nc2ccc(C(=O)[O-])c(F)c2F)c1F ZINC001212516838 1129929556 /nfs/dbraw/zinc/92/95/56/1129929556.db2.gz WEGQNABTVIOSDP-UHFFFAOYSA-N -1 0 339.269 3.641 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)c(F)c1 ZINC000134047372 1129977619 /nfs/dbraw/zinc/97/76/19/1129977619.db2.gz NAKLDFYUUYXYSS-UHFFFAOYSA-N -1 0 347.415 3.866 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)c1ccc(OC2CCC2)cc1 ZINC000466623801 1129981541 /nfs/dbraw/zinc/98/15/41/1129981541.db2.gz WQEFUAPSBJFXNJ-UHFFFAOYSA-N -1 0 345.402 3.749 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)c2cc(C)cc(C)c2OC)n1 ZINC000509212428 1129982615 /nfs/dbraw/zinc/98/26/15/1129982615.db2.gz QYWPWZWQPAOCAG-UHFFFAOYSA-N -1 0 340.470 3.522 20 0 EHADRM CCOc1ccccc1CCC(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000466628858 1129989322 /nfs/dbraw/zinc/98/93/22/1129989322.db2.gz QKPFZBQUMIGTQK-UHFFFAOYSA-N -1 0 347.418 3.536 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2cnc(C)s2)cc1Cl ZINC000361777350 1129991694 /nfs/dbraw/zinc/99/16/94/1129991694.db2.gz SOSVEJFXIWFWCG-UHFFFAOYSA-N -1 0 334.875 3.628 20 0 EHADRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccnn1[C@H](C)C1CC1 ZINC000171341911 1130047122 /nfs/dbraw/zinc/04/71/22/1130047122.db2.gz CMKOQZCUCDQLFH-LLVKDONJSA-N -1 0 339.848 3.617 20 0 EHADRM CCc1ccc(O)c([N-]S(=O)(=O)c2cc(C)cc3cccnc32)c1 ZINC000674336309 1130068255 /nfs/dbraw/zinc/06/82/55/1130068255.db2.gz LYUWRQUVUVEDMG-UHFFFAOYSA-N -1 0 342.420 3.612 20 0 EHADRM Cc1coc(-c2ccc(C)c(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])c2)n1 ZINC000675281634 1130302780 /nfs/dbraw/zinc/30/27/80/1130302780.db2.gz DLKHCUIELLHHPH-GJZGRUSLSA-N -1 0 340.379 3.564 20 0 EHADRM Cc1coc(-c2ccc(C)c(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])c2)n1 ZINC000675281625 1130303235 /nfs/dbraw/zinc/30/32/35/1130303235.db2.gz DLKHCUIELLHHPH-CABCVRRESA-N -1 0 340.379 3.564 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2)c(Cl)c1 ZINC000174025385 1130332198 /nfs/dbraw/zinc/33/21/98/1130332198.db2.gz SSSVIHRHTOZCJM-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM O=C([O-])CCN(CC1CC1)C(=O)CSc1ccc2ccccc2c1 ZINC000675971587 1130512347 /nfs/dbraw/zinc/51/23/47/1130512347.db2.gz LRMFSRKLNVLOLP-UHFFFAOYSA-N -1 0 343.448 3.645 20 0 EHADRM CC(C)[C@H](Sc1ccccc1)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000676024726 1130518298 /nfs/dbraw/zinc/51/82/98/1130518298.db2.gz UWDPLLRNVYDMPZ-HNNXBMFYSA-N -1 0 335.469 3.565 20 0 EHADRM C[C@H](C(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1c(Cl)cccc1Cl ZINC000676217378 1130546882 /nfs/dbraw/zinc/54/68/82/1130546882.db2.gz SMLGLUUUOGOQOR-QWRGUYRKSA-N -1 0 344.238 3.810 20 0 EHADRM CN(CCC(=O)[O-])C(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC000676216585 1130549076 /nfs/dbraw/zinc/54/90/76/1130549076.db2.gz NBVGFUBJBNPKHU-UHFFFAOYSA-N -1 0 333.771 3.679 20 0 EHADRM O=S(=O)([N-]c1cc(F)cc(F)c1)c1ccccc1C(F)(F)F ZINC000028794332 1130646021 /nfs/dbraw/zinc/64/60/21/1130646021.db2.gz FAWVYQNSZWOEIZ-UHFFFAOYSA-N -1 0 337.269 3.784 20 0 EHADRM Cc1ccc(C2=CCN(C(=O)c3n[n-]c4ccccc4c3=O)CC2)cc1 ZINC000732258502 1130907145 /nfs/dbraw/zinc/90/71/45/1130907145.db2.gz DCUVYSFGRWAROZ-UHFFFAOYSA-N -1 0 345.402 3.573 20 0 EHADRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)CCCCc1ccc(C)cc1 ZINC000732904983 1130972209 /nfs/dbraw/zinc/97/22/09/1130972209.db2.gz NYJYVFYLVRBUCK-INIZCTEOSA-N -1 0 339.501 3.590 20 0 EHADRM CC(C)(C)CS(=O)(=O)[N-]C(=O)c1ccccc1Oc1ccccc1 ZINC000733054636 1130987068 /nfs/dbraw/zinc/98/70/68/1130987068.db2.gz FRYCSEPLCNYBLT-UHFFFAOYSA-N -1 0 347.436 3.585 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000734080747 1131193828 /nfs/dbraw/zinc/19/38/28/1131193828.db2.gz XOWUWLKOHXCEGT-CYBMUJFWSA-N -1 0 343.876 3.751 20 0 EHADRM CC(C)[C@@H]1CCCN(C(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)CC1 ZINC000734177429 1131207297 /nfs/dbraw/zinc/20/72/97/1131207297.db2.gz JIXTYIHOOQZETA-GFCCVEGCSA-N -1 0 345.468 3.522 20 0 EHADRM Cc1nn(-c2ccccc2)cc1C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000738374719 1131468265 /nfs/dbraw/zinc/46/82/65/1131468265.db2.gz PMCUHZBHXRANAP-XFXZXTDPSA-N -1 0 347.374 3.531 20 0 EHADRM CCCS(=O)(=O)[N-]C(=O)CCCCc1ccc(C(C)(C)C)cc1 ZINC000739209382 1131495650 /nfs/dbraw/zinc/49/56/50/1131495650.db2.gz YCNIYFNUEPPZMM-UHFFFAOYSA-N -1 0 339.501 3.553 20 0 EHADRM O=C(c1n[n-]c2ccccc2c1=O)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000742137790 1131689955 /nfs/dbraw/zinc/68/99/55/1131689955.db2.gz FHRXEYUZDNBIFP-HNNXBMFYSA-N -1 0 339.782 3.576 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)cn1 ZINC000743046752 1131842166 /nfs/dbraw/zinc/84/21/66/1131842166.db2.gz PWJRNPDSODYZQI-UHFFFAOYSA-N -1 0 336.482 3.902 20 0 EHADRM COC(=O)c1ccc(C)c(Nc2cc(F)c(C(=O)[O-])c(F)c2)c1C ZINC001203330263 1131898890 /nfs/dbraw/zinc/89/88/90/1131898890.db2.gz QQPXTILXVDELLC-UHFFFAOYSA-N -1 0 335.306 3.810 20 0 EHADRM O=C(/C=C\C1CC1)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000744014458 1132007512 /nfs/dbraw/zinc/00/75/12/1132007512.db2.gz UROOIGRQSVNOOQ-JYRVWZFOSA-N -1 0 333.453 3.505 20 0 EHADRM C/C(=C/C(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000744009671 1132007792 /nfs/dbraw/zinc/00/77/92/1132007792.db2.gz VBDIOXUGUPUEAO-NTMALXAHSA-N -1 0 349.374 3.503 20 0 EHADRM O=C(/C=C/C1CC1)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000744014459 1132007908 /nfs/dbraw/zinc/00/79/08/1132007908.db2.gz UROOIGRQSVNOOQ-MDWZMJQESA-N -1 0 333.453 3.505 20 0 EHADRM C/C(=C\C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1)C(C)(C)C ZINC000744017485 1132008837 /nfs/dbraw/zinc/00/88/37/1132008837.db2.gz WXYOSLHNMCXEES-MDZDMXLPSA-N -1 0 349.374 3.503 20 0 EHADRM CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1 ZINC000744163573 1132029859 /nfs/dbraw/zinc/02/98/59/1132029859.db2.gz BVPPOPKIXZWRKB-LSDHHAIUSA-N -1 0 325.474 3.800 20 0 EHADRM Cc1cc(CO)cc(Nc2ccc3ccccc3c2S(=O)(=O)[O-])c1 ZINC001212756814 1132147653 /nfs/dbraw/zinc/14/76/53/1132147653.db2.gz IANPXBJMCGRAAE-UHFFFAOYSA-N -1 0 343.404 3.631 20 0 EHADRM CC(=O)c1cccc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)c1 ZINC001173900465 1132167246 /nfs/dbraw/zinc/16/72/46/1132167246.db2.gz MCMRGFDMACOXAI-UHFFFAOYSA-N -1 0 325.773 3.533 20 0 EHADRM COc1cccc(Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)c1F ZINC001173972600 1132203979 /nfs/dbraw/zinc/20/39/79/1132203979.db2.gz MMNBJUMQURTXTC-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM Cc1cnc(Nc2cccc(/C=C/C(=O)[O-])c2)c(Br)c1 ZINC001174494112 1132370753 /nfs/dbraw/zinc/37/07/53/1132370753.db2.gz PKWFQZLSEYCOSD-AATRIKPKSA-N -1 0 333.185 3.994 20 0 EHADRM NC(=O)c1c(Nc2cccc(/C=C/C(=O)[O-])c2)sc2c1CCCC2 ZINC001174494827 1132370939 /nfs/dbraw/zinc/37/09/39/1132370939.db2.gz HUSWIHYBTPNJQM-CMDGGOBGSA-N -1 0 342.420 3.567 20 0 EHADRM COc1ncc(Nc2cccc(/C=C/C(=O)[O-])c2)cc1C(F)(F)F ZINC001174495940 1132371910 /nfs/dbraw/zinc/37/19/10/1132371910.db2.gz XQNPUHUFQWEORI-AATRIKPKSA-N -1 0 338.285 3.950 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2cnc(Br)c(F)c2)c1 ZINC001174495315 1132371964 /nfs/dbraw/zinc/37/19/64/1132371964.db2.gz LNIGWXPTEMVOCC-SNAWJCMRSA-N -1 0 337.148 3.825 20 0 EHADRM CC(=O)Nc1ccc(NC(=O)c2ccc3[n-]c(=S)oc3c2)cc1C ZINC000746115231 1132381723 /nfs/dbraw/zinc/38/17/23/1132381723.db2.gz AXNSLRNATKDSGG-UHFFFAOYSA-N -1 0 341.392 3.636 20 0 EHADRM Cc1ccc2c(c1C)OC[C@H]2NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000746212276 1132393733 /nfs/dbraw/zinc/39/37/33/1132393733.db2.gz GLEXDDPPBGZNHT-CQSZACIVSA-N -1 0 340.404 3.597 20 0 EHADRM O=S(=O)([O-])c1cccc2cc(Nc3cc(F)ccc3O)ccc21 ZINC001174628255 1132419688 /nfs/dbraw/zinc/41/96/88/1132419688.db2.gz AVCPCPRVNWTIQN-UHFFFAOYSA-N -1 0 333.340 3.675 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ncc(C(F)(F)F)cc1F ZINC001174669881 1132431701 /nfs/dbraw/zinc/43/17/01/1132431701.db2.gz CYQBATMODVVQNG-UHFFFAOYSA-N -1 0 330.237 3.690 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc(C)nc1Br ZINC001174669969 1132432140 /nfs/dbraw/zinc/43/21/40/1132432140.db2.gz FGYBMUMDECBOSE-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cn1 ZINC000187745060 1132432463 /nfs/dbraw/zinc/43/24/63/1132432463.db2.gz SYNHCOITRFAPJZ-ZDUSSCGKSA-N -1 0 345.468 3.534 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1c(C)ccnc1Br ZINC001174670094 1132432451 /nfs/dbraw/zinc/43/24/51/1132432451.db2.gz HDAXELMQPUHHIP-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cc(-c2cccc(F)c2)no1 ZINC001174674621 1132432844 /nfs/dbraw/zinc/43/28/44/1132432844.db2.gz COIYLXRUIPEQGW-UHFFFAOYSA-N -1 0 328.299 3.931 20 0 EHADRM COc1cc(Nc2c(Cl)nc(C)nc2Cl)ccc1C(=O)[O-] ZINC001174683170 1132435684 /nfs/dbraw/zinc/43/56/84/1132435684.db2.gz TWJKGJXSPHLVFF-UHFFFAOYSA-N -1 0 328.155 3.542 20 0 EHADRM COc1cc(Nc2ccc3c(C)cc(=O)oc3c2)ccc1C(=O)[O-] ZINC001174684863 1132435771 /nfs/dbraw/zinc/43/57/71/1132435771.db2.gz JCLAMUPNDYYLEN-UHFFFAOYSA-N -1 0 325.320 3.552 20 0 EHADRM COc1cc(Nc2cnc(OC)c(C(F)(F)F)c2)ccc1C(=O)[O-] ZINC001174683814 1132435821 /nfs/dbraw/zinc/43/58/21/1132435821.db2.gz GAWDAOMRQBEKST-UHFFFAOYSA-N -1 0 342.273 3.559 20 0 EHADRM COc1cc(Nc2cc(-c3ccc(F)cc3)no2)ccc1C(=O)[O-] ZINC001174683443 1132435861 /nfs/dbraw/zinc/43/58/61/1132435861.db2.gz YIUJCLAAAQWTIG-UHFFFAOYSA-N -1 0 328.299 3.931 20 0 EHADRM COc1cc(Nc2cnnc3ccc(Cl)cc32)ccc1C(=O)[O-] ZINC001174684473 1132435873 /nfs/dbraw/zinc/43/58/73/1132435873.db2.gz PDUHANIZKOVUBZ-UHFFFAOYSA-N -1 0 329.743 3.734 20 0 EHADRM COc1cc(Nc2c3nsnc3ccc2Cl)ccc1C(=O)[O-] ZINC001174684887 1132436098 /nfs/dbraw/zinc/43/60/98/1132436098.db2.gz KAIISBMHXJLIJL-UHFFFAOYSA-N -1 0 335.772 3.795 20 0 EHADRM COC(=O)c1cc(Cl)cc(Nc2ccc(C(=O)[O-])c(OC)c2)c1 ZINC001174686384 1132436827 /nfs/dbraw/zinc/43/68/27/1132436827.db2.gz AJTPRNKEHJCSQQ-UHFFFAOYSA-N -1 0 335.743 3.577 20 0 EHADRM COc1cc(Nc2cccc3c2NC(=O)CC3(C)C)ccc1C(=O)[O-] ZINC001174688049 1132437007 /nfs/dbraw/zinc/43/70/07/1132437007.db2.gz MPZRGUTXQVDDNV-UHFFFAOYSA-N -1 0 340.379 3.757 20 0 EHADRM CCOc1ccc(Cl)c(Nc2cccc(S(=O)(=O)[O-])c2)c1 ZINC001212576152 1132443232 /nfs/dbraw/zinc/44/32/32/1132443232.db2.gz CUURPODFPGUKAN-UHFFFAOYSA-N -1 0 327.789 3.729 20 0 EHADRM CCO[C@@H]1C[C@@H](NC(=O)c2ccc3[n-]c(=S)oc3c2)C12CCCC2 ZINC000746328015 1132448750 /nfs/dbraw/zinc/44/87/50/1132448750.db2.gz PNSJYJGYSWPEFH-HUUCEWRRSA-N -1 0 346.452 3.584 20 0 EHADRM CCCC[C@@H](CC)CNC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000746328277 1132452303 /nfs/dbraw/zinc/45/23/03/1132452303.db2.gz ZVYWDANNKZLDFR-CQSZACIVSA-N -1 0 330.428 3.672 20 0 EHADRM CC(C)Oc1ccc(CC[C@@H](C)NC(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000190615866 1132454781 /nfs/dbraw/zinc/45/47/81/1132454781.db2.gz OULJGQSABGBSOS-OAHLLOKOSA-N -1 0 349.471 3.802 20 0 EHADRM COCCOc1ccccc1NC(=O)Nc1ccc(O)c(Cl)c1 ZINC000192208623 1132468750 /nfs/dbraw/zinc/46/87/50/1132468750.db2.gz OYBPXBKYGMOVNF-UHFFFAOYSA-N -1 0 336.775 3.715 20 0 EHADRM COC(=O)c1ccc(C(F)(F)F)c(Nc2ccc(C(=O)[O-])s2)c1 ZINC001174807118 1132479075 /nfs/dbraw/zinc/47/90/75/1132479075.db2.gz JJVIGPWSXULLIA-UHFFFAOYSA-N -1 0 345.298 3.995 20 0 EHADRM Nc1ccc(Br)c(F)c1Nc1ccc(C(=O)[O-])s1 ZINC001174809016 1132479448 /nfs/dbraw/zinc/47/94/48/1132479448.db2.gz YJXWNSAXCPUGDL-UHFFFAOYSA-N -1 0 331.166 3.674 20 0 EHADRM COCCCOc1ccc(F)cc1Nc1ccc(C(=O)[O-])s1 ZINC001174810371 1132480392 /nfs/dbraw/zinc/48/03/92/1132480392.db2.gz LRPWTUWQDOSHAV-UHFFFAOYSA-N -1 0 325.361 3.744 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2nnc(CC3CCCCC3)o2)c1 ZINC000194898501 1132491111 /nfs/dbraw/zinc/49/11/11/1132491111.db2.gz DKTHARAJMMIICG-UHFFFAOYSA-N -1 0 349.456 3.610 20 0 EHADRM COC(=O)c1oc2ccccc2c1Nc1ccc(CC(=O)[O-])cc1 ZINC001174947848 1132515868 /nfs/dbraw/zinc/51/58/68/1132515868.db2.gz RCGVPGIJEJDPDJ-UHFFFAOYSA-N -1 0 325.320 3.590 20 0 EHADRM COc1cccc(Nc2ccc(CC(=O)[O-])cc2)c1Br ZINC001174952584 1132516453 /nfs/dbraw/zinc/51/64/53/1132516453.db2.gz XLYQULHKXZMDJN-UHFFFAOYSA-N -1 0 336.185 3.828 20 0 EHADRM CNc1cccc(Br)c1Nc1ccc(CC(=O)[O-])cc1 ZINC001174953503 1132516700 /nfs/dbraw/zinc/51/67/00/1132516700.db2.gz ULNJWAVAYWSUOZ-UHFFFAOYSA-N -1 0 335.201 3.862 20 0 EHADRM CC1(C)Cc2cccc(C[NH2+][C@@H](CC(=O)[O-])c3cccs3)c2O1 ZINC000391327486 1132518861 /nfs/dbraw/zinc/51/88/61/1132518861.db2.gz UWYQXSXISRNOGR-AWEZNQCLSA-N -1 0 331.437 3.767 20 0 EHADRM CCOc1cc(F)cc(Nc2c(C)cc(C)cc2S(=O)(=O)[O-])c1 ZINC001175004976 1132527900 /nfs/dbraw/zinc/52/79/00/1132527900.db2.gz KRRIQNHGRRLXRL-UHFFFAOYSA-N -1 0 339.388 3.832 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1ccnn1Cc1ccc(F)cc1 ZINC001174981216 1132534469 /nfs/dbraw/zinc/53/44/69/1132534469.db2.gz KOMXVPBKKIDFDO-UHFFFAOYSA-N -1 0 325.343 3.821 20 0 EHADRM O=C(COC(c1ccccc1)c1ccccc1)[N-]Oc1ccccc1 ZINC000773474768 1132595363 /nfs/dbraw/zinc/59/53/63/1132595363.db2.gz XTFQXTYTVPNFSJ-UHFFFAOYSA-N -1 0 333.387 3.903 20 0 EHADRM O=C([O-])c1cc(Nc2nc(F)cc(C(F)(F)F)c2F)ccc1F ZINC001175215086 1132596864 /nfs/dbraw/zinc/59/68/64/1132596864.db2.gz GVIMTKPUSCFYSP-UHFFFAOYSA-N -1 0 336.191 3.960 20 0 EHADRM O=C([O-])c1cc(Nc2ccc(F)nc2Br)ccc1F ZINC001175215314 1132597336 /nfs/dbraw/zinc/59/73/36/1132597336.db2.gz DSIMZGOJZNWINK-UHFFFAOYSA-N -1 0 329.100 3.564 20 0 EHADRM O=C([O-])c1cc(Nc2ccc(C(=O)NC3CCCC3)cc2)ccc1F ZINC001175218582 1132598100 /nfs/dbraw/zinc/59/81/00/1132598100.db2.gz GPDAGMWZHXRULC-UHFFFAOYSA-N -1 0 342.370 3.940 20 0 EHADRM CC(C)(C)OC(=O)c1ccc(Nc2ccc(F)c(C(=O)[O-])c2)c(O)c1 ZINC001175221675 1132599117 /nfs/dbraw/zinc/59/91/17/1132599117.db2.gz LGGMKPWWGZKTFM-UHFFFAOYSA-N -1 0 347.342 3.928 20 0 EHADRM CC(=O)c1ccc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])cc1F ZINC001175233011 1132602580 /nfs/dbraw/zinc/60/25/80/1132602580.db2.gz NNLWPYXOGQAHLO-UHFFFAOYSA-N -1 0 343.763 3.672 20 0 EHADRM C[S@](=O)c1ccccc1Nc1c(Cl)c(F)[n-]c(=O)c1Cl ZINC001175302889 1132631084 /nfs/dbraw/zinc/63/10/84/1132631084.db2.gz BJVQUWQYYVNOTG-FQEVSTJZSA-N -1 0 335.187 3.714 20 0 EHADRM O=C([O-])c1ccc(Nc2ccccc2CN2CCOCC2)cc1Cl ZINC001175319471 1132637303 /nfs/dbraw/zinc/63/73/03/1132637303.db2.gz ZZUOONIJQMKTEH-UHFFFAOYSA-N -1 0 346.814 3.614 20 0 EHADRM CC1(C)CNC(=O)c2cc(Nc3ccc(C(=O)[O-])c(Cl)c3)ccc21 ZINC001175320986 1132638015 /nfs/dbraw/zinc/63/80/15/1132638015.db2.gz MLYHWZOVXQQCQE-UHFFFAOYSA-N -1 0 344.798 3.803 20 0 EHADRM O=C([O-])c1cccc(Nc2ccc(Br)nc2Cl)c1 ZINC001175329318 1132639987 /nfs/dbraw/zinc/63/99/87/1132639987.db2.gz XZQLFRSSORQABZ-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM Nc1cc2c(ccn2-c2cccc(C(=O)[O-])c2)cc1Br ZINC001175331812 1132640753 /nfs/dbraw/zinc/64/07/53/1132640753.db2.gz XXDXRNVJHFFJEA-UHFFFAOYSA-N -1 0 331.169 3.673 20 0 EHADRM COC(=O)c1ccc(C(F)(F)F)c(Nc2cccc(C(=O)[O-])c2)c1 ZINC001175330951 1132641239 /nfs/dbraw/zinc/64/12/39/1132641239.db2.gz MXZVEUPYXJNCPS-UHFFFAOYSA-N -1 0 339.269 3.934 20 0 EHADRM O=C([O-])c1cccc(Nc2ccccc2C(=O)Nc2cccnc2)c1 ZINC001175330069 1132641262 /nfs/dbraw/zinc/64/12/62/1132641262.db2.gz ZXBYZHVIIYDGEM-UHFFFAOYSA-N -1 0 333.347 3.776 20 0 EHADRM COc1ccc(Nc2cccc3ccsc32)c(S(=O)(=O)[O-])c1 ZINC001175386264 1132656787 /nfs/dbraw/zinc/65/67/87/1132656787.db2.gz SKJMJLIFCTWIQR-UHFFFAOYSA-N -1 0 335.406 3.900 20 0 EHADRM Cc1c2c[nH]nc2ccc1Nc1ccc(S(=O)(=O)[O-])cc1Cl ZINC001175468433 1132674426 /nfs/dbraw/zinc/67/44/26/1132674426.db2.gz STOGMOCFCASALR-UHFFFAOYSA-N -1 0 337.788 3.515 20 0 EHADRM O=C(c1ccc(Nc2cc(Cl)ccc2[S-])cc1)N1CCOCC1 ZINC001175538551 1132702858 /nfs/dbraw/zinc/70/28/58/1132702858.db2.gz HWWPIEYEGSMJKX-UHFFFAOYSA-N -1 0 348.855 3.845 20 0 EHADRM O=C(CCc1ccccc1)Nc1ccc(NCc2cc(=O)[n-]o2)cc1 ZINC001169485648 1132766680 /nfs/dbraw/zinc/76/66/80/1132766680.db2.gz SXLGRWRAHZZBIA-UHFFFAOYSA-N -1 0 337.379 3.564 20 0 EHADRM O=C([O-])c1cncc(Nc2ccc(F)c(Br)c2F)c1 ZINC001175842698 1132773787 /nfs/dbraw/zinc/77/37/87/1132773787.db2.gz POBAUTQPRDYIPL-UHFFFAOYSA-N -1 0 329.100 3.564 20 0 EHADRM O=S(=O)([O-])c1cccc(Nc2ccc(-c3cccnc3)cc2)c1 ZINC001175889655 1132782409 /nfs/dbraw/zinc/78/24/09/1132782409.db2.gz WMEDBJXFVVKEFI-UHFFFAOYSA-N -1 0 326.377 3.739 20 0 EHADRM COc1cc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)c(F)cc1F ZINC001176111629 1132849349 /nfs/dbraw/zinc/84/93/49/1132849349.db2.gz UMXXYVBDIJJIPP-UHFFFAOYSA-N -1 0 349.742 3.617 20 0 EHADRM O=C([O-])Cn1cc(Nc2cccc3cccc(Br)c32)cn1 ZINC001176272788 1132899978 /nfs/dbraw/zinc/89/99/78/1132899978.db2.gz DSXBWVRPIXRTHB-UHFFFAOYSA-N -1 0 346.184 3.627 20 0 EHADRM CC(C)(CNC(=O)c1cccc(C(F)(F)F)c1[O-])CC(F)F ZINC001176333030 1132901416 /nfs/dbraw/zinc/90/14/16/1132901416.db2.gz UVACGGFBCKVMPE-UHFFFAOYSA-N -1 0 325.277 3.822 20 0 EHADRM COc1c(Cl)cc(Nc2ccc(S(=O)(=O)[O-])cc2)cc1Cl ZINC001176312268 1132911182 /nfs/dbraw/zinc/91/11/82/1132911182.db2.gz OLJFBSOJJSRZQX-UHFFFAOYSA-N -1 0 348.207 3.992 20 0 EHADRM O=c1[n-]cnc(Nc2ccc3cc(O)ccc3c2)c1Br ZINC001176388264 1132916109 /nfs/dbraw/zinc/91/61/09/1132916109.db2.gz RRNQKSXHPCVEKZ-UHFFFAOYSA-N -1 0 332.157 3.547 20 0 EHADRM COc1ccc(-n2nc(C)cc2Nc2csc(C(=O)[O-])c2)cc1 ZINC001176436280 1132929198 /nfs/dbraw/zinc/92/91/98/1132929198.db2.gz JXHXDNQGGXSYQV-UHFFFAOYSA-N -1 0 329.381 3.693 20 0 EHADRM CC(C)(C)[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000767020266 1132932021 /nfs/dbraw/zinc/93/20/21/1132932021.db2.gz MQPDITXUDVJUBI-GIPNMCIBSA-N -1 0 344.238 3.712 20 0 EHADRM COc1ccc2oc(C)c(C(=O)N(CC(=O)[O-])C3CCCCC3)c2c1 ZINC000767023057 1132935537 /nfs/dbraw/zinc/93/55/37/1132935537.db2.gz LLFMMGDOEHSYLE-UHFFFAOYSA-N -1 0 345.395 3.609 20 0 EHADRM O=C([O-])c1cc(-c2ccc(NC(=O)OCC(F)(F)F)cn2)cs1 ZINC001206273078 1132940056 /nfs/dbraw/zinc/94/00/56/1132940056.db2.gz VZYXOWWFDMRALM-UHFFFAOYSA-N -1 0 346.286 3.619 20 0 EHADRM Cc1cc([N-]c2nonc2-c2cn3ccncc3n2)c(F)cc1Cl ZINC001176523253 1132957026 /nfs/dbraw/zinc/95/70/26/1132957026.db2.gz MZHTXOZVECIBMI-UHFFFAOYSA-N -1 0 344.737 3.624 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3cccnc3Br)cc2)CC1 ZINC001176581267 1132960031 /nfs/dbraw/zinc/96/00/31/1132960031.db2.gz DVCILUIUSZGRFS-UHFFFAOYSA-N -1 0 333.185 3.704 20 0 EHADRM COc1ccccc1-n1nccc1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176586095 1132960782 /nfs/dbraw/zinc/96/07/82/1132960782.db2.gz CNNJXMPAXOSHIL-UHFFFAOYSA-N -1 0 349.390 3.741 20 0 EHADRM CC(C)(C)c1cc2ncc(Nc3ccc(/C=C/C(=O)[O-])cc3)cn2n1 ZINC001176594739 1132963370 /nfs/dbraw/zinc/96/33/70/1132963370.db2.gz ZKNQEFCNTFJYBK-RMKNXTFCSA-N -1 0 336.395 3.868 20 0 EHADRM CO[C@@H]1CCOc2c(Nc3ccc(/C=C/C(=O)[O-])cc3)cccc21 ZINC001176596353 1132964377 /nfs/dbraw/zinc/96/43/77/1132964377.db2.gz BJMQSNPOUIEUED-PYUISTEWSA-N -1 0 325.364 3.998 20 0 EHADRM COC(=O)[C@H](C)c1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC001176597757 1132976130 /nfs/dbraw/zinc/97/61/30/1132976130.db2.gz UXQWBZCUJCZYCG-YQJFHSMKSA-N -1 0 325.364 3.805 20 0 EHADRM COC(=O)[C@@H]1CCc2cc(Nc3ccc(/C=C/C(=O)[O-])cc3)ccc21 ZINC001176598437 1132976530 /nfs/dbraw/zinc/97/65/30/1132976530.db2.gz XFOWSSYKKIEYEW-PPCLGBEZSA-N -1 0 337.375 3.731 20 0 EHADRM COC(=O)[C@@H](C)c1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC001176597755 1132976648 /nfs/dbraw/zinc/97/66/48/1132976648.db2.gz UXQWBZCUJCZYCG-YFTXEMMHSA-N -1 0 325.364 3.805 20 0 EHADRM COc1cccc(Cn2ncc(C)c2Nc2ccc(C(=O)[O-])cc2)c1 ZINC001176710122 1132995060 /nfs/dbraw/zinc/99/50/60/1132995060.db2.gz FRTXJEDAUMTDNH-UHFFFAOYSA-N -1 0 337.379 3.690 20 0 EHADRM CC(C)(C)OC(=O)NCc1cncc(Nc2ccc(C(=O)[O-])cc2)c1 ZINC001176709911 1132995215 /nfs/dbraw/zinc/99/52/15/1132995215.db2.gz PHSMDSBNDXLDPG-UHFFFAOYSA-N -1 0 343.383 3.548 20 0 EHADRM CCOC(=O)CCc1ccc(Nc2ccc(C(=O)[O-])cc2)cc1F ZINC001176713991 1132996042 /nfs/dbraw/zinc/99/60/42/1132996042.db2.gz AUPRILWYQXRKGQ-UHFFFAOYSA-N -1 0 331.343 3.763 20 0 EHADRM COC(=O)c1ccc(C(F)(F)F)cc1-c1csc(C(=O)[O-])c1 ZINC001206291447 1133023811 /nfs/dbraw/zinc/02/38/11/1133023811.db2.gz PFHGUKZHRVDAKX-UHFFFAOYSA-N -1 0 330.283 3.919 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000768573705 1133157583 /nfs/dbraw/zinc/15/75/83/1133157583.db2.gz SUZPJWIJSRIGFW-JTQLQIEISA-N -1 0 327.767 3.766 20 0 EHADRM CC1(C)CCC(C(=O)[N-]S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000768801456 1133178910 /nfs/dbraw/zinc/17/89/10/1133178910.db2.gz ZLGNZLCFWATHKV-UHFFFAOYSA-N -1 0 343.876 3.502 20 0 EHADRM O=C(Nc1cccc(-c2ccon2)c1)c1ncc2ccccc2c1[O-] ZINC001178761506 1133197230 /nfs/dbraw/zinc/19/72/30/1133197230.db2.gz ZBTLXLGRGVYGJG-UHFFFAOYSA-N -1 0 331.331 3.848 20 0 EHADRM C[C@@H]1CCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000769304898 1133256674 /nfs/dbraw/zinc/25/66/74/1133256674.db2.gz HAKQGJQJHUHEDH-VXGBXAGGSA-N -1 0 343.514 3.677 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCc2ccc(F)c(F)c2C1 ZINC000769340305 1133266392 /nfs/dbraw/zinc/26/63/92/1133266392.db2.gz APGVAIJSDQCCTL-UHFFFAOYSA-N -1 0 346.358 3.593 20 0 EHADRM CCC[C@@H](C(=O)N[C@@H](C)c1nn(C)cc1[O-])c1cccc(Cl)c1 ZINC001179926199 1133299847 /nfs/dbraw/zinc/29/98/47/1133299847.db2.gz CQGODPBOOXNDJH-SMDDNHRTSA-N -1 0 335.835 3.540 20 0 EHADRM CCC[C@@H](C(=O)N[C@H](C)c1nn(C)cc1[O-])c1cccc(Cl)c1 ZINC001179926196 1133300469 /nfs/dbraw/zinc/30/04/69/1133300469.db2.gz CQGODPBOOXNDJH-BXUZGUMPSA-N -1 0 335.835 3.540 20 0 EHADRM C[C@@]1(C2CC2)COCCN1C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC001180110012 1133332301 /nfs/dbraw/zinc/33/23/01/1133332301.db2.gz KKOAGMSXEONWRB-IBGZPJMESA-N -1 0 345.826 3.840 20 0 EHADRM O=C(COc1ccc(OC(F)(F)F)cc1)Nc1ccccc1[S-] ZINC001181321169 1133479125 /nfs/dbraw/zinc/47/91/25/1133479125.db2.gz LEBJSOOYJJIDQF-UHFFFAOYSA-N -1 0 343.326 3.891 20 0 EHADRM [O-]c1c(Cl)cccc1-c1nc([C@H]2COc3ccccc3O2)no1 ZINC000771222632 1133529497 /nfs/dbraw/zinc/52/94/97/1133529497.db2.gz JPEIREOGEYUAEC-CYBMUJFWSA-N -1 0 330.727 3.608 20 0 EHADRM CCCC(=CC(=O)[N-]S(=O)(=O)c1cn(C)c2ccccc12)CCC ZINC000771328112 1133540491 /nfs/dbraw/zinc/54/04/91/1133540491.db2.gz LRRBLUQVBVWKTE-UHFFFAOYSA-N -1 0 348.468 3.510 20 0 EHADRM Cc1c(Cl)cc(NC(=O)[C@@H](CO)c2ccccc2)c([O-])c1Cl ZINC001181922199 1133552364 /nfs/dbraw/zinc/55/23/64/1133552364.db2.gz HNSPHMOJYWQFEB-NSHDSACASA-N -1 0 340.206 3.722 20 0 EHADRM O=C(C[C@@H](O)c1ccc(Cl)cc1)Nc1cc(F)cc(Cl)c1[O-] ZINC000771502712 1133566733 /nfs/dbraw/zinc/56/67/33/1133566733.db2.gz CMJKRKLIHZCRFL-CYBMUJFWSA-N -1 0 344.169 3.900 20 0 EHADRM O=C(COc1ccc2c(c1)CCC2)Nc1cc(F)cc(Cl)c1[O-] ZINC000771504718 1133567264 /nfs/dbraw/zinc/56/72/64/1133567264.db2.gz LWEGPAMBBLIGHX-UHFFFAOYSA-N -1 0 335.762 3.691 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC(C)(C)C)cc1Cl ZINC000774134489 1133620673 /nfs/dbraw/zinc/62/06/73/1133620673.db2.gz CLXZSOFJPHIMHV-NSHDSACASA-N -1 0 331.865 3.526 20 0 EHADRM O=C(NCCOc1cccc(F)c1)c1c([O-])cc(Cl)cc1Cl ZINC001182311871 1133627984 /nfs/dbraw/zinc/62/79/84/1133627984.db2.gz ZIEDRVZEIGCYSZ-UHFFFAOYSA-N -1 0 344.169 3.647 20 0 EHADRM Cc1ccc(OCC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)cc1 ZINC000746529469 1133656212 /nfs/dbraw/zinc/65/62/12/1133656212.db2.gz UMYZLXAPWBTDHP-UHFFFAOYSA-N -1 0 339.313 3.641 20 0 EHADRM CC(C)[C@@H]1OCCC[C@H]1CNC(=O)c1c([O-])cc(Cl)cc1Cl ZINC001182851798 1133742732 /nfs/dbraw/zinc/74/27/32/1133742732.db2.gz CSQDMYJMHIJNNZ-BONVTDFDSA-N -1 0 346.254 3.880 20 0 EHADRM CC1(C)CC(=O)Nc2c(NC(=O)Cc3ccc([S-])cc3)cccc21 ZINC001183187089 1133776484 /nfs/dbraw/zinc/77/64/84/1133776484.db2.gz KHRYWWYAAUZAIN-UHFFFAOYSA-N -1 0 340.448 3.776 20 0 EHADRM O=C(Cc1ccc([S-])cc1)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC001183184099 1133777021 /nfs/dbraw/zinc/77/70/21/1133777021.db2.gz GVZUILHBXQNHTL-NRFANRHFSA-N -1 0 348.471 3.951 20 0 EHADRM COc1ccccc1CC(C)(C)NC(=O)Cc1ccc([S-])cc1 ZINC001183190734 1133777819 /nfs/dbraw/zinc/77/78/19/1133777819.db2.gz YGCFMGIRXYIGCL-UHFFFAOYSA-N -1 0 329.465 3.664 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)CC(C)(C)CCC)cc1 ZINC000786273896 1133825209 /nfs/dbraw/zinc/82/52/09/1133825209.db2.gz WHUBAMRSOMAAOS-UHFFFAOYSA-N -1 0 325.474 3.660 20 0 EHADRM CON(C)C(=O)c1ccccc1-c1cc(Cl)c([O-])c(Cl)c1 ZINC001242854074 1133850250 /nfs/dbraw/zinc/85/02/50/1133850250.db2.gz OKGXCFUXFXEWGV-UHFFFAOYSA-N -1 0 326.179 3.999 20 0 EHADRM O=C(N[C@H]1CCCC12CC2)c1cc(Br)cc(Cl)c1[O-] ZINC001184107969 1133893910 /nfs/dbraw/zinc/89/39/10/1133893910.db2.gz JJLIZABPUWXFBO-NSHDSACASA-N -1 0 344.636 3.871 20 0 EHADRM CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000787005076 1133932771 /nfs/dbraw/zinc/93/27/71/1133932771.db2.gz MJUZOBJGRZCKGK-LBPRGKRZSA-N -1 0 349.855 3.642 20 0 EHADRM C[C@H]1CCC[C@@H](C(=O)Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)C1 ZINC001184509068 1133954412 /nfs/dbraw/zinc/95/44/12/1133954412.db2.gz JBTWBJFSOHSRRG-GXTWGEPZSA-N -1 0 347.436 3.851 20 0 EHADRM [O-]C(=NOC1CCCC1)Nc1nnc(-c2cc3ccccc3o2)s1 ZINC000787462415 1134008926 /nfs/dbraw/zinc/00/89/26/1134008926.db2.gz QMSMPAAUINQMTO-UHFFFAOYSA-N -1 0 344.396 3.947 20 0 EHADRM O=C(Nc1ccc(-c2ccco2)cc1F)c1n[n-]c2ccccc2c1=O ZINC000787720208 1134027959 /nfs/dbraw/zinc/02/79/59/1134027959.db2.gz ILVRQDJKGJTLLQ-UHFFFAOYSA-N -1 0 349.321 3.987 20 0 EHADRM Cc1ccc(OC(F)(F)F)cc1[N-]S(=O)(=O)c1ccsc1 ZINC001185391797 1134078030 /nfs/dbraw/zinc/07/80/30/1134078030.db2.gz QXQZUZUZLLJSEM-UHFFFAOYSA-N -1 0 337.344 3.756 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(-c3ccco3)no2)ccc1Cl ZINC001185496702 1134099346 /nfs/dbraw/zinc/09/93/46/1134099346.db2.gz MZDCLNQEJDJWNT-UHFFFAOYSA-N -1 0 338.772 3.697 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc3c2OCCC3)ccc1Cl ZINC001185529601 1134103847 /nfs/dbraw/zinc/10/38/47/1134103847.db2.gz IPJNLXWYFZQJOV-UHFFFAOYSA-N -1 0 337.828 3.774 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)c(O)c1 ZINC001185529549 1134103895 /nfs/dbraw/zinc/10/38/95/1134103895.db2.gz GUVVTWXOOYDTSJ-UHFFFAOYSA-N -1 0 325.817 3.717 20 0 EHADRM Cc1nc(NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)sc1C ZINC000788321253 1134113481 /nfs/dbraw/zinc/11/34/81/1134113481.db2.gz RLIQCPXAGPZAEJ-KBPBESRZSA-N -1 0 345.424 3.582 20 0 EHADRM O=S(=O)([N-]c1cncc(C2CC2)c1)c1csc2ccccc21 ZINC001186463763 1134224946 /nfs/dbraw/zinc/22/49/46/1134224946.db2.gz GXMFGELSSWCNBL-UHFFFAOYSA-N -1 0 330.434 3.975 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)n1)c1cc(F)c(F)c([O-])c1F ZINC001186767358 1134255810 /nfs/dbraw/zinc/25/58/10/1134255810.db2.gz MDSJFFVPVOSJGU-UHFFFAOYSA-N -1 0 337.084 3.764 20 0 EHADRM O=C(Nc1ccc(-n2cccc2)cc1)c1cc(F)c(F)c([O-])c1F ZINC001186767797 1134255986 /nfs/dbraw/zinc/25/59/86/1134255986.db2.gz PYJBVEGIMCRVET-UHFFFAOYSA-N -1 0 332.281 3.853 20 0 EHADRM O=C(NCC1(Cc2ccccc2)CC1)c1ccc2[n-]c(=S)oc2c1 ZINC000772734935 1134263702 /nfs/dbraw/zinc/26/37/02/1134263702.db2.gz SWMYEQLXDBBDNX-UHFFFAOYSA-N -1 0 338.432 3.869 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)ccc1C(F)(F)F)c1ccco1 ZINC001186857463 1134269813 /nfs/dbraw/zinc/26/98/13/1134269813.db2.gz RSEKXGRIEPXPJV-UHFFFAOYSA-N -1 0 325.695 3.753 20 0 EHADRM O=S(=O)([N-]c1ncc(Cl)cc1F)c1cc2c(s1)CCCC2 ZINC001187180891 1134306375 /nfs/dbraw/zinc/30/63/75/1134306375.db2.gz CZSBGKXVEDRDOV-UHFFFAOYSA-N -1 0 346.836 3.615 20 0 EHADRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2cnc(Cl)cn2)c1 ZINC000789741065 1134331516 /nfs/dbraw/zinc/33/15/16/1134331516.db2.gz TYLVGHIJAJDSHF-UHFFFAOYSA-N -1 0 346.239 3.537 20 0 EHADRM O=C([O-])c1cc(Br)cc(NCc2ccc(Cl)nc2)c1 ZINC000789901852 1134347517 /nfs/dbraw/zinc/34/75/17/1134347517.db2.gz FNZJXLLWJFCGSU-UHFFFAOYSA-N -1 0 341.592 3.808 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)cc(C(F)(F)F)c1)c1nccs1 ZINC001187848743 1134389612 /nfs/dbraw/zinc/38/96/12/1134389612.db2.gz ZDUSEKBBJQTJOQ-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM CC(C)(C)COc1ccc(F)cc1[N-]S(=O)(=O)c1nccs1 ZINC001187899122 1134393437 /nfs/dbraw/zinc/39/34/37/1134393437.db2.gz IPPWREGBNRDVSG-UHFFFAOYSA-N -1 0 344.433 3.508 20 0 EHADRM O=S(=O)([N-]c1cccc2occc21)c1ccc(Cl)nc1Cl ZINC001187973134 1134405767 /nfs/dbraw/zinc/40/57/67/1134405767.db2.gz WKOLMUSIZPDPOK-UHFFFAOYSA-N -1 0 343.191 3.935 20 0 EHADRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1F)c1ccccc1 ZINC000790477567 1134422450 /nfs/dbraw/zinc/42/24/50/1134422450.db2.gz GAMKHGUEBQGGOO-PBHICJAKSA-N -1 0 347.361 3.791 20 0 EHADRM O=C(Nc1cc(Br)ccc1O)c1scnc1Cl ZINC000754441170 1134425173 /nfs/dbraw/zinc/42/51/73/1134425173.db2.gz TXTGPZUQGZHWJI-UHFFFAOYSA-N -1 0 333.594 3.517 20 0 EHADRM O=C(c1ccc([O-])c(C(F)(F)F)c1)N1CCC[C@@H]1c1nccs1 ZINC001188577284 1134484102 /nfs/dbraw/zinc/48/41/02/1134484102.db2.gz POSJFAUQVOWUGZ-LLVKDONJSA-N -1 0 342.342 3.845 20 0 EHADRM O=C(NCc1cccc2ncccc12)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188588958 1134485469 /nfs/dbraw/zinc/48/54/69/1134485469.db2.gz JPCAZYYSPHKKJP-UHFFFAOYSA-N -1 0 346.308 3.889 20 0 EHADRM CCO[C@@H](C)c1nc(COC(=O)c2c(F)cc([O-])cc2F)cs1 ZINC000746983700 1134512004 /nfs/dbraw/zinc/51/20/04/1134512004.db2.gz BANAJWRDYPSIHR-QMMMGPOBSA-N -1 0 343.351 3.581 20 0 EHADRM CC[C@](C)([N-]S(=O)(=O)/C=C\c1cccc(Cl)c1)C(F)(F)F ZINC000775210378 1134525361 /nfs/dbraw/zinc/52/53/61/1134525361.db2.gz USOVVEJQLDEQMA-KRZKBDHCSA-N -1 0 341.782 3.961 20 0 EHADRM CC(=O)c1cccc(S(=O)(=O)[N-]c2c(C)ccc3cccnc32)c1 ZINC001189229549 1134554306 /nfs/dbraw/zinc/55/43/06/1134554306.db2.gz LUUNEXBSPUPGQA-UHFFFAOYSA-N -1 0 340.404 3.547 20 0 EHADRM O=C(Nc1cc(=O)[n-]c(Cl)n1)c1cccc(-c2ccsc2)c1 ZINC001189363404 1134581126 /nfs/dbraw/zinc/58/11/26/1134581126.db2.gz IKCVUMUSRQJJHF-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM Cc1ccc2nc(NS(=O)(=O)Cc3cccc(F)c3F)ccc2c1 ZINC001189419363 1134584968 /nfs/dbraw/zinc/58/49/68/1134584968.db2.gz AVCDXMUIWPZVLU-UHFFFAOYSA-N -1 0 348.374 3.763 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c(C)c2C)c1 ZINC001189609481 1134606181 /nfs/dbraw/zinc/60/61/81/1134606181.db2.gz NPPQQCQZOXACMF-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(SC)cc1 ZINC000775295887 1134616823 /nfs/dbraw/zinc/61/68/23/1134616823.db2.gz DPUJVWHPLCXHOL-UHFFFAOYSA-N -1 0 343.857 3.871 20 0 EHADRM CCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000791960355 1134638798 /nfs/dbraw/zinc/63/87/98/1134638798.db2.gz HOIQSCGUCDLPDP-AWEZNQCLSA-N -1 0 348.468 3.646 20 0 EHADRM O=C(Nc1cnn(C(F)F)c1)c1cc(Br)ccc1[S-] ZINC001189954055 1134641681 /nfs/dbraw/zinc/64/16/81/1134641681.db2.gz ULXBIBCACULUCU-UHFFFAOYSA-N -1 0 348.172 3.582 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)c(F)c1)c1cc(F)cc(F)c1F ZINC001190388797 1134689373 /nfs/dbraw/zinc/68/93/73/1134689373.db2.gz YWMNHOYQONNHHL-UHFFFAOYSA-N -1 0 339.697 3.697 20 0 EHADRM Cc1noc(-c2ccccc2)c1NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001190368497 1134692549 /nfs/dbraw/zinc/69/25/49/1134692549.db2.gz CCZDJPYSOWZNTL-UHFFFAOYSA-N -1 0 337.335 3.992 20 0 EHADRM C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000792531403 1134694258 /nfs/dbraw/zinc/69/42/58/1134694258.db2.gz BPNKMQPOMQPZHG-CBAPKCEASA-N -1 0 330.331 3.529 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cnc(Cl)nc2)cc1 ZINC001190423827 1134698389 /nfs/dbraw/zinc/69/83/89/1134698389.db2.gz NBNWZJFLFPBZIW-UHFFFAOYSA-N -1 0 339.848 3.618 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cncc(OC)c2C)cc1 ZINC001190423919 1134698537 /nfs/dbraw/zinc/69/85/37/1134698537.db2.gz QXSJMUKRSZDUGK-UHFFFAOYSA-N -1 0 348.468 3.887 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cccc3c2OCO3)cc1 ZINC001191224542 1134830224 /nfs/dbraw/zinc/83/02/24/1134830224.db2.gz SKIRCCMJKFWCBP-UHFFFAOYSA-N -1 0 333.409 3.559 20 0 EHADRM CCC[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1c(F)cccc1F ZINC001191339519 1134846199 /nfs/dbraw/zinc/84/61/99/1134846199.db2.gz COJXPOBXVIBLTC-STQMWFEESA-N -1 0 331.428 3.850 20 0 EHADRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1nccnc1C(C)C ZINC001191670048 1134897407 /nfs/dbraw/zinc/89/74/07/1134897407.db2.gz CQNKCSAWBLRCTP-UHFFFAOYSA-N -1 0 349.456 3.533 20 0 EHADRM CCc1cc(C(=O)Nc2cc(Cl)c(C)c(Cl)c2[O-])nn1C ZINC001191649616 1134899820 /nfs/dbraw/zinc/89/98/20/1134899820.db2.gz DFAUAJYZGUSFSC-UHFFFAOYSA-N -1 0 328.199 3.556 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1csc2cnccc12 ZINC001191788286 1134922812 /nfs/dbraw/zinc/92/28/12/1134922812.db2.gz PJJQMZDBDSFXDI-UHFFFAOYSA-N -1 0 348.449 3.804 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1O ZINC001191821276 1134930179 /nfs/dbraw/zinc/93/01/79/1134930179.db2.gz HDQJAVBIWLDISH-UHFFFAOYSA-N -1 0 341.816 3.554 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccccc1C(=O)CC ZINC001191830354 1134932203 /nfs/dbraw/zinc/93/22/03/1134932203.db2.gz YUAJVHXGWHDTLD-UHFFFAOYSA-N -1 0 347.436 3.787 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(CC)ccc1OC ZINC001191828921 1134932998 /nfs/dbraw/zinc/93/29/98/1134932998.db2.gz LWTUFQYRLGGPIR-UHFFFAOYSA-N -1 0 349.452 3.766 20 0 EHADRM O=S(=O)(Cc1ccc(Cl)cc1F)Nc1ccc([S-])cc1 ZINC001191897537 1134940671 /nfs/dbraw/zinc/94/06/71/1134940671.db2.gz AZZAPJCGQAAKBN-UHFFFAOYSA-N -1 0 331.821 3.710 20 0 EHADRM Cc1cc(F)cc([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)c1O ZINC001191903183 1134941851 /nfs/dbraw/zinc/94/18/51/1134941851.db2.gz FIDJNTFYDQAOTA-UHFFFAOYSA-N -1 0 347.770 3.574 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCCC(C)(C)C)cc1Cl ZINC000747130078 1134953024 /nfs/dbraw/zinc/95/30/24/1134953024.db2.gz AHHDKZNFDFBTRT-UHFFFAOYSA-N -1 0 331.865 3.670 20 0 EHADRM Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3nccnc3C)cc2)cc1 ZINC001192062868 1134963561 /nfs/dbraw/zinc/96/35/61/1134963561.db2.gz CTZRPGMKLDSQNV-UHFFFAOYSA-N -1 0 339.420 3.561 20 0 EHADRM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1ccc(Cl)c(F)c1 ZINC001192351269 1135004674 /nfs/dbraw/zinc/00/46/74/1135004674.db2.gz NOZCICBUKBICPK-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)cnc1Cl ZINC001192579926 1135033582 /nfs/dbraw/zinc/03/35/82/1135033582.db2.gz SMASRYSECNAGHG-UHFFFAOYSA-N -1 0 340.807 3.861 20 0 EHADRM O=C(NCCCc1ccccc1F)c1ccc2[n-]c(=S)oc2c1 ZINC000794261669 1135039810 /nfs/dbraw/zinc/03/98/10/1135039810.db2.gz BZFKDXRYLNNZLC-UHFFFAOYSA-N -1 0 330.384 3.618 20 0 EHADRM Cc1ccccc1-c1cc(NC(=O)c2c([O-])ccc(F)c2F)n(C)n1 ZINC001192729813 1135047047 /nfs/dbraw/zinc/04/70/47/1135047047.db2.gz KHIJFFPJARPSQG-UHFFFAOYSA-N -1 0 343.333 3.632 20 0 EHADRM O=C(c1c(F)ccc(F)c1[O-])N1CCC[C@@H]1c1ccc(F)cc1F ZINC001192705600 1135048882 /nfs/dbraw/zinc/04/88/82/1135048882.db2.gz BFDLNBYABAYYKX-CQSZACIVSA-N -1 0 339.288 3.926 20 0 EHADRM O=C(N[C@@H](c1ccccc1)c1ccncc1)c1c(F)ccc(F)c1[O-] ZINC001192716002 1135050867 /nfs/dbraw/zinc/05/08/67/1135050867.db2.gz CVZHRXYTSTXKBG-KRWDZBQOSA-N -1 0 340.329 3.585 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2C2CC2)c1 ZINC001192763872 1135051883 /nfs/dbraw/zinc/05/18/83/1135051883.db2.gz VDTCMPLXJIEIEJ-UHFFFAOYSA-N -1 0 331.437 3.936 20 0 EHADRM O=C(Nc1ccc(-c2cccnc2)cc1)c1c([O-])ccc(F)c1F ZINC001192764414 1135052156 /nfs/dbraw/zinc/05/21/56/1135052156.db2.gz INZPOBLXRPFCQJ-UHFFFAOYSA-N -1 0 326.302 3.985 20 0 EHADRM O=C(NCCc1ccc2ccccc2c1)c1c([O-])ccc(F)c1F ZINC001192770387 1135053584 /nfs/dbraw/zinc/05/35/84/1135053584.db2.gz TZYDGRIXIUUPPD-UHFFFAOYSA-N -1 0 327.330 3.796 20 0 EHADRM O=C(NCCc1ccccc1C(F)(F)F)c1c([O-])ccc(F)c1F ZINC001192786229 1135054636 /nfs/dbraw/zinc/05/46/36/1135054636.db2.gz LWLXSFIKOCUSJJ-UHFFFAOYSA-N -1 0 345.267 3.662 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cccc3ccoc32)c1 ZINC001192816659 1135058959 /nfs/dbraw/zinc/05/89/59/1135058959.db2.gz TZBUKGWJWGBHRS-UHFFFAOYSA-N -1 0 331.393 3.805 20 0 EHADRM O=C(c1cc(F)c([O-])cc1F)N1CCC[C@@H]1c1ccc(F)cc1F ZINC001192872612 1135062039 /nfs/dbraw/zinc/06/20/39/1135062039.db2.gz QTSCBNIQALKCOI-OAHLLOKOSA-N -1 0 339.288 3.926 20 0 EHADRM COc1ccc(CNC(=O)c2cc(F)c([O-])cc2F)c2ccccc12 ZINC001192887980 1135068354 /nfs/dbraw/zinc/06/83/54/1135068354.db2.gz RPMLDUKBIIYQKS-UHFFFAOYSA-N -1 0 343.329 3.762 20 0 EHADRM O=C(Nc1ccc(OCC(F)(F)F)cc1)c1cc(F)c([O-])cc1F ZINC001192880037 1135074011 /nfs/dbraw/zinc/07/40/11/1135074011.db2.gz UIKCWMMIGSBEEU-UHFFFAOYSA-N -1 0 347.239 3.864 20 0 EHADRM COc1ccc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)c(C)c1OC ZINC000804450420 1135079924 /nfs/dbraw/zinc/07/99/24/1135079924.db2.gz USAKHLDIEUNWNF-UHFFFAOYSA-N -1 0 344.392 3.694 20 0 EHADRM O=C(c1cc(Cl)nc(Cl)c1[O-])N1CCC[C@H]1c1nccs1 ZINC001193091115 1135105706 /nfs/dbraw/zinc/10/57/06/1135105706.db2.gz MODKPFTUJLYWDE-QMMMGPOBSA-N -1 0 344.223 3.528 20 0 EHADRM CCCc1ncncc1C(=O)[N-]c1c(SC)cc(C)nc1SC ZINC001193435799 1135135450 /nfs/dbraw/zinc/13/54/50/1135135450.db2.gz FWYNIMKLWYSUIL-UHFFFAOYSA-N -1 0 348.497 3.829 20 0 EHADRM CC(=O)Nc1ccc(NC(=O)c2ccc(F)c([O-])c2F)cc1Cl ZINC001193784204 1135180433 /nfs/dbraw/zinc/18/04/33/1135180433.db2.gz JOXUMCLWGGUWLW-UHFFFAOYSA-N -1 0 340.713 3.535 20 0 EHADRM Cc1cc(OC(F)F)ccc1NC(=O)c1ccc(F)c([O-])c1F ZINC001193784306 1135180510 /nfs/dbraw/zinc/18/05/10/1135180510.db2.gz MTLBHLGICNTMLK-UHFFFAOYSA-N -1 0 329.249 3.833 20 0 EHADRM Cc1cn(-c2ccc(NC(=O)c3ccc(F)c([O-])c3F)cc2F)cn1 ZINC001193789723 1135181103 /nfs/dbraw/zinc/18/11/03/1135181103.db2.gz XTENNQOXJRZGMZ-UHFFFAOYSA-N -1 0 347.296 3.556 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnc3ccccn23)c2ccccc12 ZINC001193833058 1135191128 /nfs/dbraw/zinc/19/11/28/1135191128.db2.gz JMKXTHNTJNRSEM-UHFFFAOYSA-N -1 0 337.404 3.597 20 0 EHADRM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CC[C@@H]2CSC[C@H]2C1 ZINC000828510411 1135224795 /nfs/dbraw/zinc/22/47/95/1135224795.db2.gz IDGOCDSXYUZQQO-RKDXNWHRSA-N -1 0 332.252 3.524 20 0 EHADRM COc1ncccc1[N-]S(=O)(=O)c1ccc(-c2cccs2)cc1 ZINC001194131243 1135230004 /nfs/dbraw/zinc/23/00/04/1135230004.db2.gz PWNUFQMDIZSSTG-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)N[C@H](C)CCc1ccccc1 ZINC001194277350 1135247671 /nfs/dbraw/zinc/24/76/71/1135247671.db2.gz NTJKEANCVFBGJF-OAHLLOKOSA-N -1 0 349.434 3.637 20 0 EHADRM Cc1nnc(-c2ccccc2C(=O)Nc2cc(Cl)c([O-])cc2F)o1 ZINC000805256708 1135253391 /nfs/dbraw/zinc/25/33/91/1135253391.db2.gz URGCAMZJHJGZTJ-UHFFFAOYSA-N -1 0 347.733 3.795 20 0 EHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1cc(Cc2ccccc2)no1 ZINC001194605611 1135292100 /nfs/dbraw/zinc/29/21/00/1135292100.db2.gz PXFKPLTUAOKWIE-UHFFFAOYSA-N -1 0 342.420 3.683 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2ncnc3sccc32)c1 ZINC001195116636 1135371347 /nfs/dbraw/zinc/37/13/47/1135371347.db2.gz ROFORWJAMCBMOR-UHFFFAOYSA-N -1 0 333.438 3.616 20 0 EHADRM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)[N-]S(=O)(=O)C2(C)CC2)CC1 ZINC000806029933 1135375412 /nfs/dbraw/zinc/37/54/12/1135375412.db2.gz URTBFADUPAJLER-TXKKKEFDSA-N -1 0 341.517 3.618 20 0 EHADRM CC(=O)c1cccc(O)c1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC001195159781 1135384621 /nfs/dbraw/zinc/38/46/21/1135384621.db2.gz VZQYSLRLMSOJHF-UHFFFAOYSA-N -1 0 333.409 3.519 20 0 EHADRM Cn1ccc2cc(NC(=O)c3c([O-])c(F)c(F)c(F)c3F)ccc21 ZINC001195296085 1135408249 /nfs/dbraw/zinc/40/82/49/1135408249.db2.gz PZIZVKHQZOPEDZ-UHFFFAOYSA-N -1 0 338.260 3.693 20 0 EHADRM CCc1cccc(O)c1[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC001195316335 1135412978 /nfs/dbraw/zinc/41/29/78/1135412978.db2.gz MMRCJNBTHGLCTB-UHFFFAOYSA-N -1 0 325.817 3.717 20 0 EHADRM O=C(Nc1cc(C(F)(F)F)no1)c1cc(-c2ccc(F)cc2)no1 ZINC001130562913 1135417051 /nfs/dbraw/zinc/41/70/51/1135417051.db2.gz DPIQORIACBFGBC-UHFFFAOYSA-N -1 0 341.220 3.740 20 0 EHADRM O=C(Nc1ccc(NC(=O)c2cccc(Cl)c2[O-])cc1)NC1CC1 ZINC000775652529 1135422820 /nfs/dbraw/zinc/42/28/20/1135422820.db2.gz MNHROWNZVMPGOT-UHFFFAOYSA-N -1 0 345.786 3.582 20 0 EHADRM O=C(NCCCSc1nc(-c2ccccc2)cs1)C(F)(F)F ZINC000762772974 1135424198 /nfs/dbraw/zinc/42/41/98/1135424198.db2.gz NLWVLGVIXOTVSS-UHFFFAOYSA-N -1 0 346.399 3.971 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnc3ccc(F)cc3c2)c(F)c1 ZINC001196354208 1135551139 /nfs/dbraw/zinc/55/11/39/1135551139.db2.gz OJWMBRREJLRZDX-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM O=C(Nc1cc(F)c(Cl)nc1Cl)c1cc(Cl)ncc1[O-] ZINC001196387029 1135553568 /nfs/dbraw/zinc/55/35/68/1135553568.db2.gz HGCNXDWBZUFGLO-UHFFFAOYSA-N -1 0 336.537 3.534 20 0 EHADRM Cc1ccc(NC(=O)c2cc(Cl)ncc2[O-])cc1OC(F)F ZINC001196396411 1135555169 /nfs/dbraw/zinc/55/51/69/1135555169.db2.gz IOSJJNJQENRTGT-UHFFFAOYSA-N -1 0 328.702 3.603 20 0 EHADRM Cc1cc2c(cccc2NC(=O)c2cc(Cl)c(F)cc2[O-])nn1 ZINC001196467582 1135564255 /nfs/dbraw/zinc/56/42/55/1135564255.db2.gz RYVWUAYVMDFBEF-UHFFFAOYSA-N -1 0 331.734 3.689 20 0 EHADRM Cc1cccc(C(C)(C)CNC(=O)c2cc(Cl)c(F)cc2[O-])n1 ZINC001196478565 1135566421 /nfs/dbraw/zinc/56/64/21/1135566421.db2.gz WJCPUZPTYSOJIK-UHFFFAOYSA-N -1 0 336.794 3.596 20 0 EHADRM CCS(=O)(=O)c1ccc(O)c(NC2=CC[C@@H](C(F)(F)F)CC2)c1 ZINC001196886107 1135621676 /nfs/dbraw/zinc/62/16/76/1135621676.db2.gz CKICVNCPERZFMT-SNVBAGLBSA-N -1 0 349.374 3.844 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N2CCC3(CC(F)(F)C3)CC2)cc1 ZINC001197084732 1135643985 /nfs/dbraw/zinc/64/39/85/1135643985.db2.gz KTJHWQLAZNSNAE-UHFFFAOYSA-N -1 0 340.395 3.593 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2cccnc2C2CCC2)cc1 ZINC001197083304 1135648121 /nfs/dbraw/zinc/64/81/21/1135648121.db2.gz LGYJXNOHIRJWPU-UHFFFAOYSA-N -1 0 327.409 3.856 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N[C@H]2CC23CCC(F)(F)CC3)cc1 ZINC001197140082 1135649575 /nfs/dbraw/zinc/64/95/75/1135649575.db2.gz MYNAOILTQDZSDD-LBPRGKRZSA-N -1 0 340.395 3.639 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NC2(Cc3cccc(F)c3)CC2)cc1 ZINC001197140126 1135649608 /nfs/dbraw/zinc/64/96/08/1135649608.db2.gz OBANKRKPGXSOTC-UHFFFAOYSA-N -1 0 344.411 3.586 20 0 EHADRM COc1ccccc1[C@@H](C)N(C)C(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197102823 1135650279 /nfs/dbraw/zinc/65/02/79/1135650279.db2.gz FFUTVKNNUAPZKN-GFCCVEGCSA-N -1 0 344.436 3.783 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2cc3ocnc3cc2Cl)cc1 ZINC001197116670 1135651400 /nfs/dbraw/zinc/65/14/00/1135651400.db2.gz YBNDNDNCLQKWRD-UHFFFAOYSA-N -1 0 347.783 3.988 20 0 EHADRM COc1cc(C)c(NC(=S)Nc2ccc(C(=O)[O-])cc2)cc1C ZINC001197119968 1135652144 /nfs/dbraw/zinc/65/21/44/1135652144.db2.gz YYDRRJQBTUXVAJ-UHFFFAOYSA-N -1 0 330.409 3.819 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1 ZINC001197147786 1135653865 /nfs/dbraw/zinc/65/38/65/1135653865.db2.gz QELGUNXOJIDDMZ-LSDHHAIUSA-N -1 0 346.839 3.881 20 0 EHADRM Cc1ccc([C@H](NC(=S)Nc2ccc(C(=O)[O-])cc2)C2CC2)nc1 ZINC001197147161 1135654206 /nfs/dbraw/zinc/65/42/06/1135654206.db2.gz KUJPBNWMZURDJC-MRXNPFEDSA-N -1 0 341.436 3.526 20 0 EHADRM CCOc1cc(/C=C(/C(=O)OC)c2ccncc2)cc(Cl)c1O ZINC000102827795 1135662271 /nfs/dbraw/zinc/66/22/71/1135662271.db2.gz POPWCMWJTSHQFD-MDWZMJQESA-N -1 0 333.771 3.553 20 0 EHADRM C[C@H]1CN(C(=O)c2cccc(Cl)c2[O-])[C@H](c2ccccc2)CO1 ZINC000775766544 1135668571 /nfs/dbraw/zinc/66/85/71/1135668571.db2.gz YYWFERIDEVOEHO-LRDDRELGSA-N -1 0 331.799 3.648 20 0 EHADRM C[C@@H](CNC(=O)c1cccc(Cl)c1[O-])c1nc2ccccc2o1 ZINC000775769047 1135677880 /nfs/dbraw/zinc/67/78/80/1135677880.db2.gz ZGSMXADVKVNISG-JTQLQIEISA-N -1 0 330.771 3.720 20 0 EHADRM CC[C@H](C)NC(=O)c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC001197384434 1135682693 /nfs/dbraw/zinc/68/26/93/1135682693.db2.gz NJIVSMICRZZNPI-QMMMGPOBSA-N -1 0 343.267 3.527 20 0 EHADRM O=S(=O)([N-]c1cccc(Cl)n1)c1ccc(Cl)cc1Cl ZINC000808552260 1135688192 /nfs/dbraw/zinc/68/81/92/1135688192.db2.gz QEQJZZNTTBALEL-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC001197608723 1135708053 /nfs/dbraw/zinc/70/80/53/1135708053.db2.gz NUSHRADCKFZVFX-UHFFFAOYSA-N -1 0 341.379 3.696 20 0 EHADRM CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1cccc(Cl)c1[O-] ZINC000775815282 1135766011 /nfs/dbraw/zinc/76/60/11/1135766011.db2.gz IPPKPGHGPUVXPD-HWPZZCPQSA-N -1 0 337.778 3.691 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC000809066020 1135770227 /nfs/dbraw/zinc/77/02/27/1135770227.db2.gz YIEKMZODNHYXRV-FGTMMUONSA-N -1 0 349.496 3.548 20 0 EHADRM O=S(=O)([N-]c1cc2ccccc2s1)c1ccc2nccnc2c1 ZINC001198112654 1135777049 /nfs/dbraw/zinc/77/70/49/1135777049.db2.gz XTBTVFULSQRDKO-UHFFFAOYSA-N -1 0 341.417 3.645 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)cc1F ZINC000081668822 1135807362 /nfs/dbraw/zinc/80/73/62/1135807362.db2.gz GNNBJBOLKUMWJL-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CSc1cc(C)nc(SC)c1[N-]C(=O)c1n[nH]c2c1CC[C@@H]2C ZINC001198425723 1135813431 /nfs/dbraw/zinc/81/34/31/1135813431.db2.gz SGUCQYDUWUGCGI-QMMMGPOBSA-N -1 0 348.497 3.859 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2ccccc2Oc2ccccc2)n1 ZINC001198432915 1135813745 /nfs/dbraw/zinc/81/37/45/1135813745.db2.gz WEWCXAWEOQIUJM-UHFFFAOYSA-N -1 0 340.404 3.983 20 0 EHADRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198816380 1135858778 /nfs/dbraw/zinc/85/87/78/1135858778.db2.gz HDHOWZLWNWPDNI-UHFFFAOYSA-N -1 0 337.784 3.896 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cc3c(s2)CCCC3)c(C)c1 ZINC001198911480 1135866596 /nfs/dbraw/zinc/86/65/96/1135866596.db2.gz JKHOHLCPACFJBI-UHFFFAOYSA-N -1 0 337.466 3.745 20 0 EHADRM CC(C)c1c(Cl)ncnc1Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203322426 1135911962 /nfs/dbraw/zinc/91/19/62/1135911962.db2.gz DJFUZIXPXWWBRQ-UHFFFAOYSA-N -1 0 327.718 3.973 20 0 EHADRM CCOC(=O)[C@@H](C)NC(=S)[N-]c1ccccc1SC(C)(C)C ZINC001199840027 1135931532 /nfs/dbraw/zinc/93/15/32/1135931532.db2.gz ASIUMFCGZIWEMU-LLVKDONJSA-N -1 0 340.514 3.815 20 0 EHADRM CCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000776068693 1135947277 /nfs/dbraw/zinc/94/72/77/1135947277.db2.gz FZOJGQNCUVIGJD-HNNXBMFYSA-N -1 0 325.474 3.715 20 0 EHADRM CCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000776074188 1135947398 /nfs/dbraw/zinc/94/73/98/1135947398.db2.gz GCHGQDZBJRRLEM-GFCCVEGCSA-N -1 0 331.865 3.751 20 0 EHADRM COc1ccc(NC(=S)Nc2ccc(O)c(Cl)c2)c(OC)c1 ZINC001200974171 1135969702 /nfs/dbraw/zinc/96/97/02/1135969702.db2.gz CAOICCWZYWIQAI-UHFFFAOYSA-N -1 0 338.816 3.872 20 0 EHADRM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)n1 ZINC001201252552 1135999339 /nfs/dbraw/zinc/99/93/39/1135999339.db2.gz YFFIQVGEYAHVQD-UHFFFAOYSA-N -1 0 349.214 3.945 20 0 EHADRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1ccccc1C(F)F ZINC001201756382 1136060130 /nfs/dbraw/zinc/06/01/30/1136060130.db2.gz OZABPEMGCGUPDL-UHFFFAOYSA-N -1 0 338.788 3.843 20 0 EHADRM C[C@H](NC(=O)c1c([O-])cc(Cl)cc1Cl)[C@H](O)c1ccccc1 ZINC000811538722 1136104869 /nfs/dbraw/zinc/10/48/69/1136104869.db2.gz SIHCNJZWJMNCRC-VFZGTOFNSA-N -1 0 340.206 3.551 20 0 EHADRM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811820167 1136145336 /nfs/dbraw/zinc/14/53/36/1136145336.db2.gz PYESNYWQWWXXTP-QLJPJBMISA-N -1 0 329.783 3.702 20 0 EHADRM O=S(=O)([N-]c1cccc(Cl)n1)c1ccc(C(F)(F)F)s1 ZINC000812319668 1136195108 /nfs/dbraw/zinc/19/51/08/1136195108.db2.gz PJSDIQOUAPEMFH-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(Cl)ncc2Cl)c1 ZINC000812706072 1136235459 /nfs/dbraw/zinc/23/54/59/1136235459.db2.gz HYOMEYOSOCVEQY-UHFFFAOYSA-N -1 0 339.178 3.939 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccc2ccccc2c1)[C@H]1CCCC2(CC2)C1 ZINC000850731362 1136298476 /nfs/dbraw/zinc/29/84/76/1136298476.db2.gz RDFUVCCBKYDOSI-INIZCTEOSA-N -1 0 343.448 3.615 20 0 EHADRM CCC[C@@H](C(=O)[N-]S(=O)(=O)C1(CC)CC1)c1ccc(Cl)cc1 ZINC000851056359 1136333104 /nfs/dbraw/zinc/33/31/04/1136333104.db2.gz LCZSDWSPJUCLGH-CQSZACIVSA-N -1 0 343.876 3.612 20 0 EHADRM CC1=CC[C@@](C)(C(=O)[N-]S(=O)(=O)[C@H]2CCCc3ccccc32)CC1 ZINC000851060658 1136333581 /nfs/dbraw/zinc/33/35/81/1136333581.db2.gz SELVIIUPWLZVBG-PKOBYXMFSA-N -1 0 347.480 3.647 20 0 EHADRM CCCN(C)C(=O)N[C@H](CCC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000776516855 1136338913 /nfs/dbraw/zinc/33/89/13/1136338913.db2.gz XPABWBJQZPJFSW-CYBMUJFWSA-N -1 0 347.242 3.951 20 0 EHADRM CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1cccc2c(C)ccnc21 ZINC000851138408 1136341326 /nfs/dbraw/zinc/34/13/26/1136341326.db2.gz YSBXLYBBHWJGRY-AWEZNQCLSA-N -1 0 348.468 3.565 20 0 EHADRM O=C(C=C1CCC1)O[C@H]1C[C@@H]([N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000851174712 1136346283 /nfs/dbraw/zinc/34/62/83/1136346283.db2.gz AKYHALZPLJAFER-KGLIPLIRSA-N -1 0 339.313 3.505 20 0 EHADRM C[C@H](CCC(C)(C)C)C(=O)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000851248002 1136357730 /nfs/dbraw/zinc/35/77/30/1136357730.db2.gz LYBBKIVDIDKXRA-GFCCVEGCSA-N -1 0 337.441 3.700 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H]1CCCC(C)(C)C1 ZINC000814015436 1136386717 /nfs/dbraw/zinc/38/67/17/1136386717.db2.gz FLOAVCSXLUBAGL-HOTGVXAUSA-N -1 0 337.485 3.800 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C1(C)CCCCCC1 ZINC000814018549 1136386978 /nfs/dbraw/zinc/38/69/78/1136386978.db2.gz NYTLPBGQXJYTLI-MRXNPFEDSA-N -1 0 337.485 3.944 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1sccc1Cl ZINC000814019491 1136387125 /nfs/dbraw/zinc/38/71/25/1136387125.db2.gz JWNIFFARNJSACC-GFCCVEGCSA-N -1 0 343.857 3.612 20 0 EHADRM C[C@]1(c2ccccc2)CCCN(C(=O)c2ccc(/C=C/C(=O)[O-])o2)C1 ZINC000851594011 1136394984 /nfs/dbraw/zinc/39/49/84/1136394984.db2.gz FVUNURDGUNGDNI-BQYDLMEBSA-N -1 0 339.391 3.571 20 0 EHADRM Cc1ccc([C@@H]2C[C@H]2C(=O)NCCCCCCCC(=O)[O-])cc1C ZINC000851601227 1136395647 /nfs/dbraw/zinc/39/56/47/1136395647.db2.gz QAUZVCYPEHYNOK-ZWKOTPCHSA-N -1 0 331.456 3.948 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2ccc(/C=C/C(=O)[O-])o2)C1 ZINC000851603646 1136395704 /nfs/dbraw/zinc/39/57/04/1136395704.db2.gz CQOGKKTZAJIOFH-JIAJSWDESA-N -1 0 343.354 3.740 20 0 EHADRM O=C([O-])CC[C@@H](CC1CCCCC1)NC(=O)C1CC2(CC2(F)F)C1 ZINC000851606641 1136396310 /nfs/dbraw/zinc/39/63/10/1136396310.db2.gz RKQMPSQBSMLDKD-UUCFBXCCSA-N -1 0 343.414 3.742 20 0 EHADRM C[C@]1(Cc2ccccc2)CCCN1C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851607443 1136396387 /nfs/dbraw/zinc/39/63/87/1136396387.db2.gz MWEUVFMERNSXJW-YBNHLDJLSA-N -1 0 339.391 3.615 20 0 EHADRM CC(C)(C[N-]S(=O)(=O)c1cc2ccccc2o1)CC(F)(F)F ZINC000851904195 1136418225 /nfs/dbraw/zinc/41/82/25/1136418225.db2.gz SHGSDZGTVMWTQT-UHFFFAOYSA-N -1 0 335.347 3.690 20 0 EHADRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1sc(C)cc1C ZINC000814211736 1136422583 /nfs/dbraw/zinc/42/25/83/1136422583.db2.gz ODQNXFSKDDLSCW-UHFFFAOYSA-N -1 0 331.846 3.828 20 0 EHADRM CCC[C@](C)(NC(=O)/C=C/c1ccc2cc(OC)ccc2c1)C(=O)[O-] ZINC000776611147 1136471130 /nfs/dbraw/zinc/47/11/30/1136471130.db2.gz QORDLLILFSOWJT-FXVWLTTGSA-N -1 0 341.407 3.621 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1 ZINC000776628762 1136492069 /nfs/dbraw/zinc/49/20/69/1136492069.db2.gz LESMJLHEVKWSPM-PXUDHTSWSA-N -1 0 343.345 3.868 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1ccccc1N1CCCCC1)CC(=O)[O-] ZINC000852956513 1136494340 /nfs/dbraw/zinc/49/43/40/1136494340.db2.gz CCGFOHAVRBKIGN-INIZCTEOSA-N -1 0 346.471 3.544 20 0 EHADRM Cc1nc(C)c(CN[C@H](C(=O)[O-])c2cccc(Cl)c2Cl)s1 ZINC000853036848 1136500674 /nfs/dbraw/zinc/50/06/74/1136500674.db2.gz AFDJYGXKSAYCMB-ZDUSSCGKSA-N -1 0 345.251 3.982 20 0 EHADRM CCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2F)s1 ZINC000776658302 1136527236 /nfs/dbraw/zinc/52/72/36/1136527236.db2.gz IPPJVOHZSXHNPR-CYBMUJFWSA-N -1 0 339.363 3.535 20 0 EHADRM C[C@@H](CC1CCCC1)C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000776660375 1136528798 /nfs/dbraw/zinc/52/87/98/1136528798.db2.gz WCBHPNMVEUUQBR-ZBEGNZNMSA-N -1 0 339.382 3.813 20 0 EHADRM CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1cc(Cl)ccc1C(C)(C)C ZINC000815711063 1136631832 /nfs/dbraw/zinc/63/18/32/1136631832.db2.gz DYGHZOOXOMVWGD-LLVKDONJSA-N -1 0 340.851 3.670 20 0 EHADRM C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000854780448 1136643276 /nfs/dbraw/zinc/64/32/76/1136643276.db2.gz QQBZVMMOIHDIPV-SCZZXKLOSA-N -1 0 344.358 3.920 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)C(C)(C)C(C)(C)C)s1 ZINC000815992322 1136660979 /nfs/dbraw/zinc/66/09/79/1136660979.db2.gz DPSPPBIGJBYABW-UHFFFAOYSA-N -1 0 345.530 3.923 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc3oc(=S)[n-]c3c2)CCc2ccccc21 ZINC000855025985 1136661756 /nfs/dbraw/zinc/66/17/56/1136661756.db2.gz QSFNOGYIYISGNT-GFCCVEGCSA-N -1 0 338.432 3.919 20 0 EHADRM Cc1cc(F)ccc1C(=O)[N-]S(=O)(=O)[C@@H](c1ccccc1)C(C)C ZINC000816107778 1136671221 /nfs/dbraw/zinc/67/12/21/1136671221.db2.gz QBOVUZOOIBJZDS-QGZVFWFLSA-N -1 0 349.427 3.591 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H](C)C(C)(C)C ZINC000816107806 1136671737 /nfs/dbraw/zinc/67/17/37/1136671737.db2.gz QZRIFENQEVXDAR-ZFWWWQNUSA-N -1 0 325.474 3.512 20 0 EHADRM CC(C)c1occc1C(=O)[N-]S(=O)(=O)[C@@H](c1ccccc1)C(C)C ZINC000816109104 1136677264 /nfs/dbraw/zinc/67/72/64/1136677264.db2.gz VUYFYXAJSNBZAE-QGZVFWFLSA-N -1 0 349.452 3.860 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H](C)c1ccccc1 ZINC000816112082 1136677471 /nfs/dbraw/zinc/67/74/71/1136677471.db2.gz MIHSBEACSYBUBR-QAPCUYQASA-N -1 0 345.464 3.633 20 0 EHADRM C/C(=C/C(C)(C)C)C(=O)[N-]S(=O)(=O)[C@H](c1ccccc1)C(C)C ZINC000816113178 1136678186 /nfs/dbraw/zinc/67/81/86/1136678186.db2.gz MBVLLUBQOHZHDR-HECSCLNYSA-N -1 0 337.485 3.822 20 0 EHADRM Cc1ccc(NC(=O)c2nn(-c3ccc(F)cc3C)cc2[O-])cc1C ZINC001135421252 1136685135 /nfs/dbraw/zinc/68/51/35/1136685135.db2.gz CIELHNPBUSESFD-UHFFFAOYSA-N -1 0 339.370 3.895 20 0 EHADRM Cc1cc(C=O)c([O-])c(C(=O)Nc2ccc(Cc3ccncc3)cc2)c1 ZINC001135538768 1136705564 /nfs/dbraw/zinc/70/55/64/1136705564.db2.gz YIPJAOYRWONVPX-UHFFFAOYSA-N -1 0 346.386 3.751 20 0 EHADRM O=C(NCc1ccc(F)c(Cl)c1)c1ccc2oc(=S)[n-]c2c1 ZINC000816915127 1136765765 /nfs/dbraw/zinc/76/57/65/1136765765.db2.gz POPBYYBZPFZWMD-UHFFFAOYSA-N -1 0 336.775 3.839 20 0 EHADRM CC[C@H](c1ccncc1)N(C)C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000816929421 1136767555 /nfs/dbraw/zinc/76/75/55/1136767555.db2.gz HVXIGXVWPWDVKO-CQSZACIVSA-N -1 0 327.409 3.735 20 0 EHADRM CC[C@@H](C)CO[N-]C(=O)C1(c2ccc(OC)c(OC)c2)CCCC1 ZINC000816975524 1136769126 /nfs/dbraw/zinc/76/91/26/1136769126.db2.gz JPYRCMOZAHXRQH-CQSZACIVSA-N -1 0 335.444 3.610 20 0 EHADRM Cc1cc(SCC(=O)[N-]OCC2CC2)c(C)cc1Br ZINC000817334773 1136799252 /nfs/dbraw/zinc/79/92/52/1136799252.db2.gz QKCVYTJCRJOVFD-UHFFFAOYSA-N -1 0 344.274 3.616 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000856989077 1136830384 /nfs/dbraw/zinc/83/03/84/1136830384.db2.gz HXVKKGSBRDQVQY-GXTWGEPZSA-N -1 0 347.436 3.669 20 0 EHADRM CCC1(CC)CCCN(C(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)C1 ZINC000857322466 1136863399 /nfs/dbraw/zinc/86/33/99/1136863399.db2.gz AUPSETIXXLFMLN-UHFFFAOYSA-N -1 0 345.468 3.667 20 0 EHADRM COc1ccc(Cl)cc1CN(C)C(=O)c1ccc(Cl)c([O-])c1 ZINC001136129750 1136864237 /nfs/dbraw/zinc/86/42/37/1136864237.db2.gz FJDJNUYXDNGQSO-UHFFFAOYSA-N -1 0 340.206 3.980 20 0 EHADRM CC(C)c1ccc(N2CC[C@H](C(=O)[N-]OC3CCCCC3)C2=O)cc1 ZINC000857493393 1136876757 /nfs/dbraw/zinc/87/67/57/1136876757.db2.gz YEKKSBDUYZTKMY-GOSISDBHSA-N -1 0 344.455 3.543 20 0 EHADRM O=C(Nc1ccc([C@H]2CCOC2)cc1)c1ccc2[n-]c(=S)oc2c1 ZINC000818737486 1136888973 /nfs/dbraw/zinc/88/89/73/1136888973.db2.gz FQAFHIHNSWTAMC-ZDUSSCGKSA-N -1 0 340.404 3.873 20 0 EHADRM Cc1ccc(C2CC2)c(C(=O)[N-]S(=O)(=O)[C@H](C)c2ccccc2)c1 ZINC000820084690 1136975452 /nfs/dbraw/zinc/97/54/52/1136975452.db2.gz MBNHITZZJFSBSG-CQSZACIVSA-N -1 0 343.448 3.693 20 0 EHADRM CC(=CC(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1)c1ccc(F)cc1 ZINC000820465065 1136993967 /nfs/dbraw/zinc/99/39/67/1136993967.db2.gz BSJZOQKJOMGNOX-VAWYXSNFSA-N -1 0 337.354 3.963 20 0 EHADRM O=C(c1cccc(F)c1[O-])N1C[C@H]2CCCCN2c2ccccc21 ZINC000820734315 1137001612 /nfs/dbraw/zinc/00/16/12/1137001612.db2.gz MRRGFIHSUSMQHI-CYBMUJFWSA-N -1 0 326.371 3.551 20 0 EHADRM CC[C@H](C)c1ccccc1OS(=O)(=O)c1cn[n-]c1C(F)(F)F ZINC000820758307 1137003600 /nfs/dbraw/zinc/00/36/00/1137003600.db2.gz XPJIHBMVDYFMQT-VIFPVBQESA-N -1 0 348.346 3.710 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)NC[C@H]2CCC[C@@H](C)C2)n1 ZINC001136406297 1137013856 /nfs/dbraw/zinc/01/38/56/1137013856.db2.gz MLXNYVWCXUQENB-CABCVRRESA-N -1 0 341.455 3.696 20 0 EHADRM CCN(C(=O)c1ccc2oc(=O)nc-2[n-]1)c1ccc2ccccc2c1 ZINC001136491003 1137037931 /nfs/dbraw/zinc/03/79/31/1137037931.db2.gz ZYKJXJIROFZWOU-UHFFFAOYSA-N -1 0 333.347 3.748 20 0 EHADRM O=C(CC[C@H]1CC1(Cl)Cl)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1 ZINC000821826146 1137039366 /nfs/dbraw/zinc/03/93/66/1137039366.db2.gz DFHWHBDCLQDSNN-JTQLQIEISA-N -1 0 340.210 3.695 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1ccc(OCC(C)C)cc1 ZINC000013432324 1137082112 /nfs/dbraw/zinc/08/21/12/1137082112.db2.gz ZVRAURGKOXIRFY-UHFFFAOYSA-N -1 0 327.380 3.980 20 0 EHADRM CCC(CC)(CC)NC(=O)c1nn(-c2cc(C)ccc2F)cc1[O-] ZINC001136835992 1137128082 /nfs/dbraw/zinc/12/80/82/1137128082.db2.gz MZWHNOSSWRVDJT-UHFFFAOYSA-N -1 0 333.407 3.724 20 0 EHADRM Cc1ccccc1OCCN(C)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000118759813 1137129488 /nfs/dbraw/zinc/12/94/88/1137129488.db2.gz KJUYMEGSMQLUIR-UHFFFAOYSA-N -1 0 342.420 3.576 20 0 EHADRM CC1(C)Oc2ccc(NC(=O)c3ccc4[n-]c(=S)oc4c3)cc2O1 ZINC000118773141 1137131492 /nfs/dbraw/zinc/13/14/92/1137131492.db2.gz SJAWCKBPSHMQTR-UHFFFAOYSA-N -1 0 342.376 3.876 20 0 EHADRM CCCO[N-]C(=O)C(C)(C)c1csc(-c2c(F)cccc2F)n1 ZINC000844087567 1137197067 /nfs/dbraw/zinc/19/70/67/1137197067.db2.gz BKRBAEIFKZGVJS-UHFFFAOYSA-N -1 0 340.395 3.824 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2([C@H]3CCCCO3)CCC2)cc1Cl ZINC000864100545 1137215101 /nfs/dbraw/zinc/21/51/01/1137215101.db2.gz QWORPYQMDZLPFA-CQSZACIVSA-N -1 0 337.803 3.716 20 0 EHADRM Cc1cc2c(CC(=O)N(CCC(=O)[O-])C(C)C)csc2s1 ZINC000864117458 1137216067 /nfs/dbraw/zinc/21/60/67/1137216067.db2.gz OUMBHSDTEYKYMO-UHFFFAOYSA-N -1 0 325.455 3.525 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)[C@]23C[C@H]2CCCC3)c1 ZINC000864122907 1137216296 /nfs/dbraw/zinc/21/62/96/1137216296.db2.gz CEHKBNJXIOUETK-RDTXWAMCSA-N -1 0 333.453 3.913 20 0 EHADRM CCOc1ccccc1[C@@H](CC)NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000864142111 1137216819 /nfs/dbraw/zinc/21/68/19/1137216819.db2.gz CLLVSRQYEVENMH-KUGGDMIFSA-N -1 0 343.379 3.657 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)Cc1coc2c1ccc(Cl)c2Cl ZINC000864138735 1137216875 /nfs/dbraw/zinc/21/68/75/1137216875.db2.gz AMMVDVLVKRURRQ-SFYZADRCSA-N -1 0 344.194 3.508 20 0 EHADRM CC1(C)[C@H](c2ccccc2)CCN1C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000864150329 1137217096 /nfs/dbraw/zinc/21/70/96/1137217096.db2.gz UKEBYWWZKRUTII-SLWQEBJJSA-N -1 0 339.391 3.786 20 0 EHADRM Cc1ccccc1C[C@H](C)N(C)C(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000864143254 1137217117 /nfs/dbraw/zinc/21/71/17/1137217117.db2.gz AALQGROMISEVEK-HNNXBMFYSA-N -1 0 325.408 3.705 20 0 EHADRM CCc1cc2c(CC(=O)NCc3ccoc3C(=O)[O-])csc2s1 ZINC000864156098 1137217425 /nfs/dbraw/zinc/21/74/25/1137217425.db2.gz XINPTUFUGMFIFY-UHFFFAOYSA-N -1 0 349.433 3.675 20 0 EHADRM C/C(=C\C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21)c1ccccc1Cl ZINC000864175380 1137217924 /nfs/dbraw/zinc/21/79/24/1137217924.db2.gz JYFQVCGWYWDAON-KXSRPYMOSA-N -1 0 347.842 3.845 20 0 EHADRM CC(C)c1ccc(CN(C)C(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC000864178401 1137218130 /nfs/dbraw/zinc/21/81/30/1137218130.db2.gz ZMWWEJPEWKOSKB-LUAWRHEFSA-N -1 0 327.380 3.773 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CC[C@H](c2ccccc2F)C1(C)C ZINC000864217367 1137219108 /nfs/dbraw/zinc/21/91/08/1137219108.db2.gz OMHZYWMHWUZTAL-CQSZACIVSA-N -1 0 345.370 3.834 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)[C@H]2Cc3ccc(Cl)cc32)c2ccccc21 ZINC000864228349 1137219291 /nfs/dbraw/zinc/21/92/91/1137219291.db2.gz OGXOSLZJLNOHTD-WBMJQRKESA-N -1 0 341.794 3.585 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(C)c2)c(C)n1C(C)C ZINC000864228561 1137219342 /nfs/dbraw/zinc/21/93/42/1137219342.db2.gz OQJLSPJEXLHFMM-SFHVURJKSA-N -1 0 342.439 3.940 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)c1 ZINC000864231564 1137219504 /nfs/dbraw/zinc/21/95/04/1137219504.db2.gz HWYTYKGKGNIVBV-CNNODRBYSA-N -1 0 349.430 3.531 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)C[C@@H](C)c2cccc(F)c2)c1 ZINC000864230442 1137219526 /nfs/dbraw/zinc/21/95/26/1137219526.db2.gz XOOSKPUYXKIRSV-RDTXWAMCSA-N -1 0 343.398 3.960 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2Cc3ccc(Cl)cc32)c1 ZINC000864233627 1137219563 /nfs/dbraw/zinc/21/95/63/1137219563.db2.gz XYJTYHQPNDLPNJ-IAGOWNOFSA-N -1 0 343.810 3.620 20 0 EHADRM CCc1ccccc1[C@@H](CC(=O)[O-])NC(=O)N(C)Cc1ccccc1 ZINC000864447903 1137227931 /nfs/dbraw/zinc/22/79/31/1137227931.db2.gz KUJHSMFMIXZGJG-GOSISDBHSA-N -1 0 340.423 3.606 20 0 EHADRM CC(C)(C(=O)[N-]OCc1ccccc1)c1cccc(C(F)(F)F)n1 ZINC000864597905 1137236061 /nfs/dbraw/zinc/23/60/61/1137236061.db2.gz ZRZKTXOBQRZQTR-UHFFFAOYSA-N -1 0 338.329 3.626 20 0 EHADRM COC(Cc1ccc(Nc2cc(F)c(C(=O)[O-])c(F)c2)cc1)OC ZINC001203333490 1137262327 /nfs/dbraw/zinc/26/23/27/1137262327.db2.gz FDJSLCUHEFPGEP-UHFFFAOYSA-N -1 0 337.322 3.568 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)c2n[n-]c3ccccc3c2=O)c2ccccc21 ZINC000772915515 1137267488 /nfs/dbraw/zinc/26/74/88/1137267488.db2.gz CPGZRMCTVAMVLD-HNNXBMFYSA-N -1 0 333.391 3.735 20 0 EHADRM CC[C@H](C)CO[N-]C(=O)CSCc1cc(-c2cccs2)on1 ZINC000794864627 1137308690 /nfs/dbraw/zinc/30/86/90/1137308690.db2.gz MZXMAKISVBBHNL-NSHDSACASA-N -1 0 340.470 3.730 20 0 EHADRM CC(C)n1ccc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)n1 ZINC000794882566 1137319846 /nfs/dbraw/zinc/31/98/46/1137319846.db2.gz HIOUQQZZWOKBMS-CSKARUKUSA-N -1 0 325.821 3.530 20 0 EHADRM CSCC1(CC(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000846118166 1137334174 /nfs/dbraw/zinc/33/41/74/1137334174.db2.gz UXLXNFDBYPBZEG-CYBMUJFWSA-N -1 0 341.860 3.505 20 0 EHADRM O=S(=O)([N-]c1cccc(-c2cn[nH]c2)c1)c1cc2ccccc2o1 ZINC000121078052 1137355374 /nfs/dbraw/zinc/35/53/74/1137355374.db2.gz XBEUFQFGUGTVFA-UHFFFAOYSA-N -1 0 339.376 3.624 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2cccc(SC(F)F)c2)CC=CCC1 ZINC000846708467 1137363333 /nfs/dbraw/zinc/36/33/33/1137363333.db2.gz AYVSWAMPGLZGIJ-OAHLLOKOSA-N -1 0 327.352 3.751 20 0 EHADRM CO[C@](C)(C(=O)Nc1ccc2[n-]c(=S)oc2c1)c1ccccc1 ZINC000121120894 1137367337 /nfs/dbraw/zinc/36/73/37/1137367337.db2.gz WRFRXVVGRWDGEQ-KRWDZBQOSA-N -1 0 328.393 3.617 20 0 EHADRM COC(=O)c1ccc(Cl)c(/C=C/c2ncc(/C=C\C(=O)[O-])s2)c1 ZINC000794940994 1137373678 /nfs/dbraw/zinc/37/36/78/1137373678.db2.gz HSRFSIJGCSCZFD-JOVCIAKGSA-N -1 0 349.795 3.851 20 0 EHADRM CC(=Cc1ccccc1Cl)C(=O)Nc1n[nH]c(C(F)(F)F)n1 ZINC000122041366 1137401655 /nfs/dbraw/zinc/40/16/55/1137401655.db2.gz MOBQPNUNTUMEGT-SREVYHEPSA-N -1 0 330.697 3.519 20 0 EHADRM CSc1cc(C)nc(SC)c1[N-]C(=O)c1cnoc1C1CC1 ZINC001147649710 1137411232 /nfs/dbraw/zinc/41/12/32/1137411232.db2.gz HQWYFOOGQFRQKG-UHFFFAOYSA-N -1 0 335.454 3.952 20 0 EHADRM C[C@@H](Sc1ccc(Br)cc1)C(=O)[N-]OCC1CCC1 ZINC001148108026 1137417960 /nfs/dbraw/zinc/41/79/60/1137417960.db2.gz YCIUPEYAXYRASH-SNVBAGLBSA-N -1 0 344.274 3.778 20 0 EHADRM Cc1ccc(C(=O)N2CCC(c3[nH]nc4ccccc43)CC2)c(O)c1 ZINC001148504559 1137427160 /nfs/dbraw/zinc/42/71/60/1137427160.db2.gz XPAORLDNWIFSFY-UHFFFAOYSA-N -1 0 335.407 3.597 20 0 EHADRM NC(=S)c1cccc(NC(=O)c2cc(Cl)cc(Cl)c2[O-])c1 ZINC001148812736 1137435498 /nfs/dbraw/zinc/43/54/98/1137435498.db2.gz ZHPDJYPYBWZBBF-UHFFFAOYSA-N -1 0 341.219 3.586 20 0 EHADRM O=C(NCc1ccc2ocnc2c1)c1cc(Cl)cc(Cl)c1[O-] ZINC001148814178 1137435714 /nfs/dbraw/zinc/43/57/14/1137435714.db2.gz PYPIQVWXAOPUQA-UHFFFAOYSA-N -1 0 337.162 3.770 20 0 EHADRM O=C(NCc1cncn1C1CCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC001148813893 1137435779 /nfs/dbraw/zinc/43/57/79/1137435779.db2.gz LWLCNCIVOGEQQP-UHFFFAOYSA-N -1 0 340.210 3.551 20 0 EHADRM N=C(NC(=O)c1cc(Cl)cc(Cl)c1[O-])c1cccnc1Cl ZINC001148813863 1137435794 /nfs/dbraw/zinc/43/57/94/1137435794.db2.gz KNPRBEOLPGFVCW-UHFFFAOYSA-N -1 0 344.585 3.503 20 0 EHADRM CCc1oc(C(=O)Nc2ccc(F)cc2OC(F)F)cc1C(=O)[O-] ZINC000339088344 1137436828 /nfs/dbraw/zinc/43/68/28/1137436828.db2.gz JGVRHHAUHLJWFM-UHFFFAOYSA-N -1 0 343.257 3.533 20 0 EHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCC2(CCSCC2)CC1 ZINC000870251817 1137483576 /nfs/dbraw/zinc/48/35/76/1137483576.db2.gz XKJVPTIANLYIQJ-UHFFFAOYSA-N -1 0 348.493 3.866 20 0 EHADRM O=C([O-])c1c(F)cc(Nc2ccc(-c3cc(CO)on3)cc2)cc1F ZINC001203334218 1137489681 /nfs/dbraw/zinc/48/96/81/1137489681.db2.gz QEJBGEIQIJYGJW-UHFFFAOYSA-N -1 0 346.289 3.554 20 0 EHADRM O=C(CSc1ccc(Cl)cc1)[N-]OCCCC(F)(F)F ZINC000871209770 1137527304 /nfs/dbraw/zinc/52/73/04/1137527304.db2.gz DUAFEHIBFRFZCC-UHFFFAOYSA-N -1 0 327.755 3.822 20 0 EHADRM CSc1ccc(O[C@@H](C)C(=O)[N-]OCCCC(F)(F)F)cc1 ZINC000871212898 1137527594 /nfs/dbraw/zinc/52/75/94/1137527594.db2.gz IEGOFPZXLIPXRQ-JTQLQIEISA-N -1 0 337.363 3.566 20 0 EHADRM COc1cccc(CN[C@@H](CC(=O)[O-])c2ccccc2Cl)c1OC ZINC000871883674 1137562439 /nfs/dbraw/zinc/56/24/39/1137562439.db2.gz UWKQFEGULWSMNZ-HNNXBMFYSA-N -1 0 349.814 3.663 20 0 EHADRM Cc1ccc(NCc2ccc(N3CCCC3)nc2)c(C)c1C(=O)[O-] ZINC000871885091 1137562473 /nfs/dbraw/zinc/56/24/73/1137562473.db2.gz PMRJNIWBSOMWGG-UHFFFAOYSA-N -1 0 325.412 3.609 20 0 EHADRM CCc1cnc([N-]S(=O)(=O)c2ccc(F)c(C(F)F)c2)s1 ZINC000872003390 1137564227 /nfs/dbraw/zinc/56/42/27/1137564227.db2.gz PEULKGRBYGKDSV-UHFFFAOYSA-N -1 0 336.360 3.583 20 0 EHADRM O=S(=O)(Cc1ccc(C2CCCCC2)cc1)[N-]c1nncs1 ZINC000872004606 1137564411 /nfs/dbraw/zinc/56/44/11/1137564411.db2.gz RZHUJFRNVSNQKT-UHFFFAOYSA-N -1 0 337.470 3.528 20 0 EHADRM O=S(=O)([N-]c1ccc2c(n1)CCCC2)c1ccc(C(F)F)cc1 ZINC000872010730 1137564445 /nfs/dbraw/zinc/56/44/45/1137564445.db2.gz FPRFQJVOKLFBJR-UHFFFAOYSA-N -1 0 338.379 3.699 20 0 EHADRM CCn1cc(S(=O)(=O)[N-]c2ccccc2C(F)(F)CC)nc1C ZINC000872410579 1137579616 /nfs/dbraw/zinc/57/96/16/1137579616.db2.gz ODHDLYMVISNZMQ-UHFFFAOYSA-N -1 0 343.399 3.514 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1cccc(CSC2CCCC2)c1 ZINC000872739941 1137583627 /nfs/dbraw/zinc/58/36/27/1137583627.db2.gz PEAPPKIZTIJPHO-JKSUJKDBSA-N -1 0 333.453 3.912 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H]1C(=O)Nc1cccc(COc2ccccc2)c1 ZINC000872837308 1137585299 /nfs/dbraw/zinc/58/52/99/1137585299.db2.gz CZMOPTPZEVCSDD-QZTJIDSGSA-N -1 0 339.391 3.705 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)C(C)(C)SCC(=O)[O-] ZINC000872843483 1137585403 /nfs/dbraw/zinc/58/54/03/1137585403.db2.gz MJECUTPAZDKWIU-UHFFFAOYSA-N -1 0 347.889 3.987 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])C(=O)NCc1cn(C(F)F)c2ccccc12 ZINC000872882170 1137585942 /nfs/dbraw/zinc/58/59/42/1137585942.db2.gz RUPRJCCDDGGQFH-KRWDZBQOSA-N -1 0 338.354 3.544 20 0 EHADRM COc1cc2ccc(NC(=O)C(C)(C)CCC(=O)[O-])cc2cc1OC ZINC000872882078 1137585954 /nfs/dbraw/zinc/58/59/54/1137585954.db2.gz FHAFZUYTTJVNGS-UHFFFAOYSA-N -1 0 345.395 3.687 20 0 EHADRM C[C@@H](c1cccs1)N(C)C(=O)C[C@]1(C(=O)[O-])CCc2ccccc21 ZINC000872899505 1137586309 /nfs/dbraw/zinc/58/63/09/1137586309.db2.gz IAOHGSLMVDLZPB-ORAYPTAESA-N -1 0 343.448 3.626 20 0 EHADRM CN(C(=O)C[C@]1(C(=O)[O-])CCSC1)c1ccc(C(C)(C)C)cc1 ZINC000872909284 1137586433 /nfs/dbraw/zinc/58/64/33/1137586433.db2.gz IXCSWTANMGGNTL-GOSISDBHSA-N -1 0 335.469 3.545 20 0 EHADRM CC(C)(CCC(=O)[O-])C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000872915242 1137586481 /nfs/dbraw/zinc/58/64/81/1137586481.db2.gz ZXELAQZFVHZWHW-UHFFFAOYSA-N -1 0 342.439 3.765 20 0 EHADRM CN(Cc1cccc(Cl)c1Cl)C(=O)C(C)(C)CCC(=O)[O-] ZINC000872942379 1137586786 /nfs/dbraw/zinc/58/67/86/1137586786.db2.gz CQLJQUPKEXUKCZ-UHFFFAOYSA-N -1 0 332.227 3.843 20 0 EHADRM O=C([O-])[C@]1(CC(=O)Nc2cscc2Cl)CCc2ccccc21 ZINC000873005366 1137587822 /nfs/dbraw/zinc/58/78/22/1137587822.db2.gz UQKJVZXLCLKXHL-INIZCTEOSA-N -1 0 335.812 3.699 20 0 EHADRM Cc1sc(N2CCC(C)(C(=O)[O-])CC2)nc1-c1ccc(F)cc1 ZINC000873061081 1137589272 /nfs/dbraw/zinc/58/92/72/1137589272.db2.gz PVFYCABCAQEOFM-UHFFFAOYSA-N -1 0 334.416 3.949 20 0 EHADRM Cc1ccc(NC(=O)C(=O)[N-]OC2CCCC2)cc1-c1ccsc1 ZINC000873792564 1137606819 /nfs/dbraw/zinc/60/68/19/1137606819.db2.gz HRHRNWSWONWDDV-UHFFFAOYSA-N -1 0 344.436 3.652 20 0 EHADRM CC(C)[C@@H](c1ccccc1)N(C)C(=O)NCc1ccccc1C(=O)[O-] ZINC000874410504 1137613738 /nfs/dbraw/zinc/61/37/38/1137613738.db2.gz WKXGARBGYKKJSS-SFHVURJKSA-N -1 0 340.423 3.924 20 0 EHADRM O=Cc1cc(-c2cc3nc(Cl)ccc3s2)ccc1OCC(=O)[O-] ZINC000874970248 1137627199 /nfs/dbraw/zinc/62/71/99/1137627199.db2.gz NUFJXJVBGXAWBF-UHFFFAOYSA-N -1 0 347.779 3.893 20 0 EHADRM CCOc1cc(C=O)cc(-c2cccc(C(=O)[O-])c2)c1OC(F)F ZINC000874970190 1137627273 /nfs/dbraw/zinc/62/72/73/1137627273.db2.gz MOLHNNLZQGJRKN-UHFFFAOYSA-N -1 0 336.290 3.864 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CC(Cc2c(F)cccc2F)C1 ZINC001137086491 1137630694 /nfs/dbraw/zinc/63/06/94/1137630694.db2.gz WEDBATHXDIUGHU-UHFFFAOYSA-N -1 0 337.753 3.639 20 0 EHADRM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000825777636 1137631164 /nfs/dbraw/zinc/63/11/64/1137631164.db2.gz AAJGLHFPDDKVSF-KDOFPFPSSA-N -1 0 338.407 3.724 20 0 EHADRM CC(C)(C)c1nc(C(=O)Nc2nc(-c3cccs3)ns2)co1 ZINC000875535863 1137634914 /nfs/dbraw/zinc/63/49/14/1137634914.db2.gz ZHHVAKZCCJYSSU-UHFFFAOYSA-N -1 0 334.426 3.804 20 0 EHADRM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@@H](C)[C@@H]2CC2(F)F)c1 ZINC000877570973 1137681525 /nfs/dbraw/zinc/68/15/25/1137681525.db2.gz VLLHRJJNQPCFEP-CABZTGNLSA-N -1 0 336.304 3.629 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2C(=O)c2n[n-]c3ccccc3c2=O)cc1 ZINC000128902203 1137804743 /nfs/dbraw/zinc/80/47/43/1137804743.db2.gz NZGFGSNMUJIASE-SFHVURJKSA-N -1 0 347.418 3.599 20 0 EHADRM CCC(C)(CC)C(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000131605579 1137857280 /nfs/dbraw/zinc/85/72/80/1137857280.db2.gz YIRHNMPHLKPWTJ-UHFFFAOYSA-N -1 0 338.256 3.625 20 0 EHADRM O=C(CCC1CC1)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000115332843 1137921643 /nfs/dbraw/zinc/92/16/43/1137921643.db2.gz CLWIXSSPTSVHFR-UHFFFAOYSA-N -1 0 344.436 3.616 20 0 EHADRM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000332101261 1137931683 /nfs/dbraw/zinc/93/16/83/1137931683.db2.gz CLJLROLKYZRYPN-GXTWGEPZSA-N -1 0 344.484 3.667 20 0 EHADRM CC[C@H](C)[C@H]1CCCCN1C(=O)N=c1ncn(C2CCCCC2)[n-]1 ZINC000332703720 1137951549 /nfs/dbraw/zinc/95/15/49/1137951549.db2.gz TTZMVNZALZEFGR-GOEBONIOSA-N -1 0 333.480 3.638 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000333249306 1137959312 /nfs/dbraw/zinc/95/93/12/1137959312.db2.gz XYGRTUPKCJBJNP-LJQANCHMSA-N -1 0 348.450 3.850 20 0 EHADRM O=C(OCc1nnc(-c2ccccc2O)o1)C1[C@H]2CCCCCC[C@H]12 ZINC000884585804 1137963885 /nfs/dbraw/zinc/96/38/85/1137963885.db2.gz USLRUOJCSZHYAE-STQMWFEESA-N -1 0 342.395 3.702 20 0 EHADRM C[C@H](Cc1cccs1)N(C)C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC001137212390 1137964615 /nfs/dbraw/zinc/96/46/15/1137964615.db2.gz QYTCRZCHZLUZBY-SNVBAGLBSA-N -1 0 332.450 3.881 20 0 EHADRM O=S(=O)([N-]c1cccc2ncccc12)c1cccc2ncccc21 ZINC000135740053 1137981975 /nfs/dbraw/zinc/98/19/75/1137981975.db2.gz DCMBKQVCIFQRQL-UHFFFAOYSA-N -1 0 335.388 3.584 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000136473276 1138031513 /nfs/dbraw/zinc/03/15/13/1138031513.db2.gz SOEMRAPCBLLDRM-AWEZNQCLSA-N -1 0 344.238 3.782 20 0 EHADRM C[C@@H](CC(=O)N1CCCC[C@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000136531963 1138039525 /nfs/dbraw/zinc/03/95/25/1138039525.db2.gz PYPPIVAHMUQLRA-FZMZJTMJSA-N -1 0 343.345 3.665 20 0 EHADRM CCc1cc(-c2nc(-c3ccc4[n-]c(=S)sc4c3)no2)n(C)n1 ZINC001212809541 1138067795 /nfs/dbraw/zinc/06/77/95/1138067795.db2.gz WAZGQARWQMRNFK-UHFFFAOYSA-N -1 0 343.437 3.598 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cccc(F)c2Br)CCCC1 ZINC000887316419 1138262843 /nfs/dbraw/zinc/26/28/43/1138262843.db2.gz PTCQSLSIWUQVKW-UHFFFAOYSA-N -1 0 344.180 3.562 20 0 EHADRM O=S(=O)([N-]c1ccc(F)c(C2CC2)c1)c1cccc(F)c1F ZINC000337150880 1138479917 /nfs/dbraw/zinc/47/99/17/1138479917.db2.gz JHXARIFBEJOKRX-UHFFFAOYSA-N -1 0 327.327 3.782 20 0 EHADRM CCc1ncc(S(=O)(=O)[N-]c2ccccc2NC(C)(C)C)s1 ZINC000337195201 1138491787 /nfs/dbraw/zinc/49/17/87/1138491787.db2.gz VVADUVAPUICRQL-UHFFFAOYSA-N -1 0 339.486 3.717 20 0 EHADRM CO[C@H](C)c1nc(=NC(=O)c2ccc(-c3ccc(C)o3)s2)s[n-]1 ZINC000338012777 1138723810 /nfs/dbraw/zinc/72/38/10/1138723810.db2.gz BKXZQYNASVYLBO-SECBINFHSA-N -1 0 349.437 3.550 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N(Cc2cccs2)C(C)C)s1 ZINC000338246923 1138800155 /nfs/dbraw/zinc/80/01/55/1138800155.db2.gz PGMBWRQLVUWVQL-UHFFFAOYSA-N -1 0 338.502 3.663 20 0 EHADRM C[C@@H]1CC(CCNC(=O)CC2(CC(=O)[O-])CCCCC2)C[C@@H](C)O1 ZINC000338411492 1138901489 /nfs/dbraw/zinc/90/14/89/1138901489.db2.gz POJSHAUVEDSJMD-HUUCEWRRSA-N -1 0 339.476 3.512 20 0 EHADRM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1c(C)cccc1C(C)C ZINC000152702943 1139104725 /nfs/dbraw/zinc/10/47/25/1139104725.db2.gz SUTCEEOSPRULPY-UHFFFAOYSA-N -1 0 341.864 3.615 20 0 EHADRM O=C(c1cc2sccc2c(O)c1)N1CC[C@@H](Cc2nccs2)C1 ZINC000890214166 1139324761 /nfs/dbraw/zinc/32/47/61/1139324761.db2.gz ADFGAQAOSZAIJI-NSHDSACASA-N -1 0 344.461 3.768 20 0 EHADRM C[C@@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)[C@@H]1c1cccc(F)c1 ZINC000175149926 1139467819 /nfs/dbraw/zinc/46/78/19/1139467819.db2.gz IQGWFPDEQAQOHP-BZNIZROVSA-N -1 0 343.427 3.707 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)CCC2CCCCC2)c1Cl ZINC000777355463 1139819926 /nfs/dbraw/zinc/81/99/26/1139819926.db2.gz XLFYDOZIECNMNK-UHFFFAOYSA-N -1 0 343.876 3.814 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCC[C@H]2C)c1Cl ZINC000777356864 1139820909 /nfs/dbraw/zinc/82/09/09/1139820909.db2.gz YZVGLIUQKWOIRI-YPMHNXCESA-N -1 0 343.876 3.670 20 0 EHADRM C[C@@H](CN(C)C(=O)c1cc(F)cc(Cl)c1[O-])c1nccs1 ZINC000182925219 1140001851 /nfs/dbraw/zinc/00/18/51/1140001851.db2.gz SACQEKZYWDUCQV-QMMMGPOBSA-N -1 0 328.796 3.517 20 0 EHADRM CCCCn1cc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)c(C)n1 ZINC000186133237 1140188194 /nfs/dbraw/zinc/18/81/94/1140188194.db2.gz RCHDCKZKTNYVKX-UHFFFAOYSA-N -1 0 330.413 3.674 20 0 EHADRM COc1cccc(C2CCN(C(=O)c3cc(F)c([O-])c(F)c3)CC2)c1 ZINC000186722893 1140218503 /nfs/dbraw/zinc/21/85/03/1140218503.db2.gz KXIUOVAXUQOBPJ-UHFFFAOYSA-N -1 0 347.361 3.699 20 0 EHADRM COc1ccc([C@H]2CCN(C(=O)c3cc(F)c([O-])c(Cl)c3)C2)cc1 ZINC000189306111 1140334387 /nfs/dbraw/zinc/33/43/87/1140334387.db2.gz WPVZVOVUTZLADM-LBPRGKRZSA-N -1 0 349.789 3.823 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)NCCCCCCCC(=O)[O-] ZINC000191182065 1140442069 /nfs/dbraw/zinc/44/20/69/1140442069.db2.gz SPOCWCVFYMIOEE-UHFFFAOYSA-N -1 0 344.411 3.805 20 0 EHADRM C[C@H](NC(=O)C1CCC(C(=O)[O-])CC1)c1cccc2ccccc21 ZINC000194384113 1140606629 /nfs/dbraw/zinc/60/66/29/1140606629.db2.gz QFSZVKJQSHCBGE-JEYLPNPQSA-N -1 0 325.408 3.908 20 0 EHADRM C[C@@H](NC(=O)CC(C)(C)C(=O)[O-])[C@@H](C)c1ccccc1C(F)(F)F ZINC000270891830 1141280307 /nfs/dbraw/zinc/28/03/07/1141280307.db2.gz PFOXROBLYWWVTM-GHMZBOCLSA-N -1 0 345.361 3.815 20 0 EHADRM Cc1sc(/C=C\c2cnn(Cc3ccccc3)c2)nc1C(=O)[O-] ZINC000339114664 1141501197 /nfs/dbraw/zinc/50/11/97/1141501197.db2.gz QGFSOMZQEBFJRE-FPLPWBNLSA-N -1 0 325.393 3.565 20 0 EHADRM O=C(Nc1nc2c(s1)CCCCCC2)c1s[n-]c(=O)c1Cl ZINC000283053061 1141544689 /nfs/dbraw/zinc/54/46/89/1141544689.db2.gz OHWRHOWETKTOLL-UHFFFAOYSA-N -1 0 343.861 3.870 20 0 EHADRM O=C(CCc1cc2ccccc2[nH]c1=O)Nc1cccc(Cl)c1[O-] ZINC000348704151 1141567786 /nfs/dbraw/zinc/56/77/86/1141567786.db2.gz PSIZRGSFIPOBAB-UHFFFAOYSA-N -1 0 342.782 3.871 20 0 EHADRM CC(C)n1cc2ccc(NC(=O)c3c(F)ccc(O)c3F)cc2n1 ZINC000348736354 1141573068 /nfs/dbraw/zinc/57/30/68/1141573068.db2.gz SEHNHJQNILRIBM-UHFFFAOYSA-N -1 0 331.322 3.853 20 0 EHADRM Cc1nc(C=Cc2ccc(C(C)(C)C)cc2)[nH]c(=O)c1CC(=O)[O-] ZINC000349105730 1141640180 /nfs/dbraw/zinc/64/01/80/1141640180.db2.gz HESJJJGGRDNVOU-YFHOEESVSA-N -1 0 326.396 3.586 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)CC(c2ccccc2)c2ccccc2)C1 ZINC000013170421 201886990 /nfs/dbraw/zinc/88/69/90/201886990.db2.gz YNPKEAUNAQBYBB-GOSISDBHSA-N -1 0 337.419 3.532 20 0 EHADRM O=S(=O)([N-]c1cc(F)ccc1OCC(F)(F)F)c1ccccc1 ZINC000022843882 202092959 /nfs/dbraw/zinc/09/29/59/202092959.db2.gz NGSPVHAYHULUAY-UHFFFAOYSA-N -1 0 349.305 3.568 20 0 EHADRM COc1ccc(CNc2cc(C(=O)[O-])ccc2C)c(Cl)c1OC ZINC000076275339 202387806 /nfs/dbraw/zinc/38/78/06/202387806.db2.gz LYSPFCQLIPKQTK-UHFFFAOYSA-N -1 0 335.787 3.976 20 0 EHADRM Cc1c(NC(=O)c2sccc2Br)cccc1C(=O)[O-] ZINC000070164179 203073551 /nfs/dbraw/zinc/07/35/51/203073551.db2.gz RVPLDEPVHHSJRZ-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM O=C([O-])c1c(NC(=O)c2ccc(F)c(F)c2)sc2c1CCCC2 ZINC000020333525 212120250 /nfs/dbraw/zinc/12/02/50/212120250.db2.gz WQDVINPSWQNMPJ-UHFFFAOYSA-N -1 0 337.347 3.856 20 0 EHADRM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cscc2C)c1 ZINC000357153516 522924226 /nfs/dbraw/zinc/92/42/26/522924226.db2.gz XIACDFKWJMGMRS-UHFFFAOYSA-N -1 0 331.846 3.657 20 0 EHADRM Cc1c(CSC(C)C)cccc1NC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000263084595 596913096 /nfs/dbraw/zinc/91/30/96/596913096.db2.gz RRIKLOWQNQHTEY-ZDUSSCGKSA-N -1 0 336.457 3.575 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)Nc2ncc(-c3ccccc3)s2)C1 ZINC000819365106 597049765 /nfs/dbraw/zinc/04/97/65/597049765.db2.gz RMFGSKFOLJESDK-GFCCVEGCSA-N -1 0 345.424 3.529 20 0 EHADRM C[C@@H](c1ccccc1)N(C(=O)CSCC(=O)[O-])c1ccccc1 ZINC000739057351 597089704 /nfs/dbraw/zinc/08/97/04/597089704.db2.gz HPBGWENBEWPDEQ-AWEZNQCLSA-N -1 0 329.421 3.599 20 0 EHADRM O=C([O-])CSCC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000571154878 597094939 /nfs/dbraw/zinc/09/49/39/597094939.db2.gz DJOTUYMWAKKUGQ-CQSZACIVSA-N -1 0 341.860 3.602 20 0 EHADRM O=C([O-])CSCC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000571154877 597095102 /nfs/dbraw/zinc/09/51/02/597095102.db2.gz DJOTUYMWAKKUGQ-AWEZNQCLSA-N -1 0 341.860 3.602 20 0 EHADRM O=C([O-])CN(C(=O)c1sccc1SC(F)F)c1ccccc1 ZINC000740481437 597122892 /nfs/dbraw/zinc/12/28/92/597122892.db2.gz LDJBFXNTPSILAR-UHFFFAOYSA-N -1 0 343.376 3.794 20 0 EHADRM Cc1cc([C@H](C)NC(=O)Nc2cccc(CC(=O)[O-])c2)c(C)s1 ZINC000321352546 597182215 /nfs/dbraw/zinc/18/22/15/597182215.db2.gz SENHRBPUULHVOI-NSHDSACASA-N -1 0 332.425 3.875 20 0 EHADRM Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000738322493 597183380 /nfs/dbraw/zinc/18/33/80/597183380.db2.gz UJDKZTJKTCONNZ-SFHVURJKSA-N -1 0 338.407 3.991 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N[C@@H]2CCSc3ccccc32)c1 ZINC000738624214 597186835 /nfs/dbraw/zinc/18/68/35/597186835.db2.gz NNPFZIBBYOWYJZ-OAHLLOKOSA-N -1 0 342.420 3.672 20 0 EHADRM C[C@@H](CN(C)C(=O)Nc1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC000737668371 597188336 /nfs/dbraw/zinc/18/83/36/597188336.db2.gz PCJOHHZSSCDNEN-AWEZNQCLSA-N -1 0 326.396 3.581 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000738260657 597202982 /nfs/dbraw/zinc/20/29/82/597202982.db2.gz CWKFDXTVBROFMV-AWEZNQCLSA-N -1 0 326.396 3.847 20 0 EHADRM O=C([O-])CCCCCNC(=O)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000414618963 597235400 /nfs/dbraw/zinc/23/54/00/597235400.db2.gz BAJUZKRRKBVZCL-UHFFFAOYSA-N -1 0 348.418 3.660 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1cc(Cl)cc2cccnc21 ZINC000819623575 597317235 /nfs/dbraw/zinc/31/72/35/597317235.db2.gz YWEJFVDGNITIFY-UHFFFAOYSA-N -1 0 340.766 3.768 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)C1(c2ccc(F)cc2)CCC1 ZINC000819597680 597317298 /nfs/dbraw/zinc/31/72/98/597317298.db2.gz MTRNOHOKUZXOIG-UHFFFAOYSA-N -1 0 327.355 3.513 20 0 EHADRM C[C@@H](NC(=O)Nc1ccccc1CC(=O)[O-])c1ccc(Cl)s1 ZINC000315964063 597320563 /nfs/dbraw/zinc/32/05/63/597320563.db2.gz ULBGGBBNHFHTEB-SECBINFHSA-N -1 0 338.816 3.911 20 0 EHADRM Cc1ccc(SCCNC(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000818922122 597325034 /nfs/dbraw/zinc/32/50/34/597325034.db2.gz LNXYNSGPMCYVKB-UHFFFAOYSA-N -1 0 344.436 3.536 20 0 EHADRM CC1(c2ccccc2)CC(NC(=O)Nc2ccccc2CC(=O)[O-])C1 ZINC000818085178 597333215 /nfs/dbraw/zinc/33/32/15/597333215.db2.gz ORAJICNSRPYQTD-UHFFFAOYSA-N -1 0 338.407 3.556 20 0 EHADRM CN(CCc1ccc(Cl)cc1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818473451 597333455 /nfs/dbraw/zinc/33/34/55/597333455.db2.gz HOKNTSNNZUTJPM-UHFFFAOYSA-N -1 0 346.814 3.674 20 0 EHADRM C[C@H](NC(=O)Nc1ccccc1CC(=O)[O-])c1cccc(Cl)c1 ZINC000320198260 597336107 /nfs/dbraw/zinc/33/61/07/597336107.db2.gz VVEGOVWJCYKPQG-NSHDSACASA-N -1 0 332.787 3.850 20 0 EHADRM CC[C@@H](C)n1ncc(C(=O)Nc2cccc(CC(=O)[O-])c2)c1C1CC1 ZINC000263032673 597454962 /nfs/dbraw/zinc/45/49/62/597454962.db2.gz ZSJZGCLSYKCQGU-GFCCVEGCSA-N -1 0 341.411 3.611 20 0 EHADRM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000820199523 598184350 /nfs/dbraw/zinc/18/43/50/598184350.db2.gz AYYKMHJVJUROJV-NSHDSACASA-N -1 0 348.349 3.566 20 0 EHADRM O=C([O-])c1cccc(CN[C@@H](c2ccc(F)cc2)c2cccnc2)c1 ZINC000821551567 598203865 /nfs/dbraw/zinc/20/38/65/598203865.db2.gz NLSWCOWSUMJHRQ-IBGZPJMESA-N -1 0 336.366 3.798 20 0 EHADRM CC(C)C[C@H](OC(=O)[C@H](C)c1ccc(Br)s1)C(=O)[O-] ZINC000826814198 600949081 /nfs/dbraw/zinc/94/90/81/600949081.db2.gz QYCZNPOZTKQASV-BDAKNGLRSA-N -1 0 349.246 3.657 20 0 EHADRM CC(C)c1noc(OCc2c(C(=O)[O-])sc3cccc(F)c32)n1 ZINC000736538310 599704928 /nfs/dbraw/zinc/70/49/28/599704928.db2.gz QSFJVLQCGLLRPC-UHFFFAOYSA-N -1 0 336.344 3.824 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC000738120174 599705116 /nfs/dbraw/zinc/70/51/16/599705116.db2.gz JRSRINNBIJONQN-QBFSEMIESA-N -1 0 326.348 3.540 20 0 EHADRM Cc1cc(NC(=O)c2ccccc2NC(=O)[O-])ccc1N1CCCC1 ZINC000738452017 599707376 /nfs/dbraw/zinc/70/73/76/599707376.db2.gz OFRHBYGCCYCFFE-UHFFFAOYSA-N -1 0 339.395 3.937 20 0 EHADRM C[C@H](NC(=O)CCCNC(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000736636578 599710454 /nfs/dbraw/zinc/71/04/54/599710454.db2.gz LMGKOPHTKOVEFI-AWEZNQCLSA-N -1 0 326.396 3.579 20 0 EHADRM O=C([O-])NCCCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000739949988 599711212 /nfs/dbraw/zinc/71/12/12/599711212.db2.gz BJXLEKWBFXGKKO-UHFFFAOYSA-N -1 0 336.407 3.535 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CNC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)o1 ZINC000736762439 599714379 /nfs/dbraw/zinc/71/43/79/599714379.db2.gz AZXLLHFLNOFJSO-JOYOIKCWSA-N -1 0 347.346 3.954 20 0 EHADRM Cc1cccc(CN(C)C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000738708148 599714782 /nfs/dbraw/zinc/71/47/82/599714782.db2.gz IFLMRVAQNPVQLI-UHFFFAOYSA-N -1 0 331.347 3.888 20 0 EHADRM O=C([O-])NCCCC(=O)Nc1c(F)cc(F)cc1-c1ccccc1 ZINC000739956786 599725489 /nfs/dbraw/zinc/72/54/89/599725489.db2.gz LKXWSWZOTSOUBW-UHFFFAOYSA-N -1 0 334.322 3.618 20 0 EHADRM C[C@@H](c1ccc2ccccc2c1)N(C(=O)CCNC(=O)[O-])C1CC1 ZINC000736718781 599725894 /nfs/dbraw/zinc/72/58/94/599725894.db2.gz WCXYMBIUOMUIKE-ZDUSSCGKSA-N -1 0 326.396 3.550 20 0 EHADRM COc1cc(C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)ccc1C ZINC000320367252 599746538 /nfs/dbraw/zinc/74/65/38/599746538.db2.gz SNLSVRZRXRGFAJ-UHFFFAOYSA-N -1 0 331.393 3.504 20 0 EHADRM CN(CCCC(=O)Nc1ccc(NC2CCCCC2)cc1)C(=O)[O-] ZINC000737429956 599747892 /nfs/dbraw/zinc/74/78/92/599747892.db2.gz RHQDMKXUFXOPFD-UHFFFAOYSA-N -1 0 333.432 3.760 20 0 EHADRM CCN(C)[C@H](C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccccc1 ZINC000737068172 599755015 /nfs/dbraw/zinc/75/50/15/599755015.db2.gz GHJIHWUMIDYVPX-INIZCTEOSA-N -1 0 346.814 3.670 20 0 EHADRM CCc1nc(CNc2nc(C)nc3sc(C(=O)[O-])c(C)c32)cs1 ZINC000583086932 599762642 /nfs/dbraw/zinc/76/26/42/599762642.db2.gz ALIZJGQPFDSQBC-UHFFFAOYSA-N -1 0 348.453 3.637 20 0 EHADRM Cc1nc(-c2ccco2)ccc1C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000738838445 599764227 /nfs/dbraw/zinc/76/42/27/599764227.db2.gz VZQGOAGEPANORM-UHFFFAOYSA-N -1 0 348.358 3.551 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCC(c3ccc(F)c(F)c3)CC2)c1 ZINC000270478883 599765695 /nfs/dbraw/zinc/76/56/95/599765695.db2.gz HXYJBIWTAZBLBN-UHFFFAOYSA-N -1 0 345.345 3.683 20 0 EHADRM Cc1cc(OCC(=O)Nc2ccc(CCC(=O)[O-])cc2)ccc1Cl ZINC000237768259 599765934 /nfs/dbraw/zinc/76/59/34/599765934.db2.gz AVOQEGOGCWOCPY-UHFFFAOYSA-N -1 0 347.798 3.683 20 0 EHADRM CC(C)Oc1ccc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000392586472 599766606 /nfs/dbraw/zinc/76/66/06/599766606.db2.gz ZNOQTKJLVFMSAH-UHFFFAOYSA-N -1 0 327.380 3.743 20 0 EHADRM CC(C)c1ccccc1OCC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000326929958 599767109 /nfs/dbraw/zinc/76/71/09/599767109.db2.gz BXZPYXKQSVZWHG-UHFFFAOYSA-N -1 0 341.407 3.845 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2Cc3ccccc3-c3ccccc3C2)cn1 ZINC000190632205 599771164 /nfs/dbraw/zinc/77/11/64/599771164.db2.gz IGJKIBCOUCBOAX-UHFFFAOYSA-N -1 0 344.370 3.603 20 0 EHADRM CC[C@@H]1CCCN1CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000736941533 599772975 /nfs/dbraw/zinc/77/29/75/599772975.db2.gz YDBGFMVTHDECLQ-SNVBAGLBSA-N -1 0 345.226 3.505 20 0 EHADRM CCNc1nc(SCc2cc(C(=O)[O-])co2)nc2ccccc21 ZINC000737129658 599803731 /nfs/dbraw/zinc/80/37/31/599803731.db2.gz MQVYGGICWXGQOP-UHFFFAOYSA-N -1 0 329.381 3.645 20 0 EHADRM O=C([O-])c1sccc1NC(=O)CSc1ccc(Cl)cc1 ZINC000037451815 599803870 /nfs/dbraw/zinc/80/38/70/599803870.db2.gz OBGGHQSIUYKFHT-UHFFFAOYSA-N -1 0 327.814 3.831 20 0 EHADRM CC[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccc1C)c1nc(C)cs1 ZINC000736913941 599804867 /nfs/dbraw/zinc/80/48/67/599804867.db2.gz JCBZEZZTZUTZQH-GFCCVEGCSA-N -1 0 333.413 3.731 20 0 EHADRM CCCCC[C@H](NC(=O)c1cccc(C(=O)[O-])n1)c1ccccc1 ZINC000736984128 599807139 /nfs/dbraw/zinc/80/71/39/599807139.db2.gz IVMGCRTXMSWEFX-HNNXBMFYSA-N -1 0 326.396 3.831 20 0 EHADRM COc1ccc(C(=O)N2CCCc3c(C(=O)[O-])cccc32)c(Cl)c1 ZINC000737921859 599812242 /nfs/dbraw/zinc/81/22/42/599812242.db2.gz AVNZENUMYCQWES-UHFFFAOYSA-N -1 0 345.782 3.640 20 0 EHADRM C[C@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)C(C)(C)c1ccccc1 ZINC000736648530 599814940 /nfs/dbraw/zinc/81/49/40/599814940.db2.gz ZLMHNDZNQOJFMX-AWEZNQCLSA-N -1 0 340.423 3.550 20 0 EHADRM Cc1cc(C(=O)N[C@H](C(=O)[O-])C(C)C)sc1-c1ccc(F)cc1 ZINC000236767246 599816521 /nfs/dbraw/zinc/81/65/21/599816521.db2.gz LQCKBCQMCMRLMU-AWEZNQCLSA-N -1 0 335.400 3.702 20 0 EHADRM Cc1cc(C(=O)NCCCC(=O)[O-])sc1-c1cccc(Cl)c1 ZINC000262782805 599816638 /nfs/dbraw/zinc/81/66/38/599816638.db2.gz YOCWQVRGEZAJAJ-UHFFFAOYSA-N -1 0 337.828 3.972 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)c2csc(-c3ccoc3)n2)c1 ZINC000740041466 599818642 /nfs/dbraw/zinc/81/86/42/599818642.db2.gz PLHIHNARLXLVRF-UHFFFAOYSA-N -1 0 329.337 3.745 20 0 EHADRM O=C([O-])CC1CCN(C(=O)Nc2ccc(F)cc2C(F)(F)F)CC1 ZINC000738563853 599820170 /nfs/dbraw/zinc/82/01/70/599820170.db2.gz SPZMDKJMFTTYSB-UHFFFAOYSA-N -1 0 348.296 3.563 20 0 EHADRM O=C([O-])[C@@H](NC(=O)C[C@H]1CCCc2ccccc21)c1cccs1 ZINC000448996398 599823235 /nfs/dbraw/zinc/82/32/35/599823235.db2.gz RSSQZMDEGRCOSU-DYVFJYSZSA-N -1 0 329.421 3.500 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000326964526 599826794 /nfs/dbraw/zinc/82/67/94/599826794.db2.gz NVDVZOGJPGTHCA-GOSISDBHSA-N -1 0 338.407 3.903 20 0 EHADRM CN(C(=O)c1ccc(-c2ccc(F)cc2)cc1F)C(C)(C)C(=O)[O-] ZINC000362339127 599827881 /nfs/dbraw/zinc/82/78/81/599827881.db2.gz ITSUJCJOVJIJGI-UHFFFAOYSA-N -1 0 333.334 3.567 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)NCCSc2ccccc2)cc1 ZINC000739759649 599829052 /nfs/dbraw/zinc/82/90/52/599829052.db2.gz IFZRIQBKYGKNRP-UHFFFAOYSA-N -1 0 344.436 3.618 20 0 EHADRM CC(C)(NC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000736323678 599829496 /nfs/dbraw/zinc/82/94/96/599829496.db2.gz GRVUHHUZUAXDAP-UHFFFAOYSA-N -1 0 344.386 3.900 20 0 EHADRM O=C([O-])/C(=C\c1cnn(-c2ccc(Cl)cc2)c1)c1ccncc1 ZINC000739488882 599830647 /nfs/dbraw/zinc/83/06/47/599830647.db2.gz BZSWMJRUFYBAFO-SXGWCWSVSA-N -1 0 325.755 3.546 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)NCc2ccc3ccccc3c2)cc1 ZINC000739431106 599832091 /nfs/dbraw/zinc/83/20/91/599832091.db2.gz WQPJBUUIZKDZKK-UHFFFAOYSA-N -1 0 348.402 3.580 20 0 EHADRM Cc1c(NC(=O)c2sccc2OC(F)F)cccc1C(=O)[O-] ZINC000738305764 599834670 /nfs/dbraw/zinc/83/46/70/599834670.db2.gz MSTKNQCTJQTYLA-UHFFFAOYSA-N -1 0 327.308 3.608 20 0 EHADRM CN(C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1C(=O)[O-] ZINC000322148445 599837500 /nfs/dbraw/zinc/83/75/00/599837500.db2.gz SLTBRLAYBDSMHB-GHMZBOCLSA-N -1 0 329.318 3.716 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCC[C@@H]2c2ccsc2)c(F)c1 ZINC000740146800 599837559 /nfs/dbraw/zinc/83/75/59/599837559.db2.gz GSVAKJRXORGFBW-CQSZACIVSA-N -1 0 334.372 3.954 20 0 EHADRM CN(CCCC(=O)Nc1nc2c(ccc3ccccc23)s1)C(=O)[O-] ZINC000737434107 599838995 /nfs/dbraw/zinc/83/89/95/599838995.db2.gz SWSSYPCJKQPUTN-UHFFFAOYSA-N -1 0 343.408 3.778 20 0 EHADRM Cc1ccc(Cl)c(OCC(=O)Nc2cccc(F)c2C(=O)[O-])c1 ZINC000319607605 599847419 /nfs/dbraw/zinc/84/74/19/599847419.db2.gz MXWVORMLIRYZSY-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000392480128 599849208 /nfs/dbraw/zinc/84/92/08/599849208.db2.gz FPWCVOBEQWVDRC-UHFFFAOYSA-N -1 0 348.742 3.518 20 0 EHADRM Cc1ccccc1NC(=O)Cc1nc(-c2cc(C(=O)[O-])co2)cs1 ZINC000738777550 599859000 /nfs/dbraw/zinc/85/90/00/599859000.db2.gz KFNXNHRBVDSCQD-UHFFFAOYSA-N -1 0 342.376 3.591 20 0 EHADRM CC[C@H](CC(=O)O[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C)C(C)C ZINC000736893091 599870717 /nfs/dbraw/zinc/87/07/17/599870717.db2.gz UUASPOOLGZVVJT-QWHCGFSZSA-N -1 0 337.416 3.516 20 0 EHADRM CCCCN(C(=O)N[C@H]1CCCN(C(=O)[O-])C1)[C@@H](C)c1ccccc1 ZINC000736992098 599872135 /nfs/dbraw/zinc/87/21/35/599872135.db2.gz UYLUSYDYMLKBLT-RDJZCZTQSA-N -1 0 347.459 3.702 20 0 EHADRM O=C(/C=C\c1cccs1)NCc1c2ccccc2sc1C(=O)[O-] ZINC000739216821 599872790 /nfs/dbraw/zinc/87/27/90/599872790.db2.gz VLENOTFZDJZCKW-FPLPWBNLSA-N -1 0 343.429 3.991 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)OCc1cc(C(=O)[O-])co1 ZINC000736890885 599879135 /nfs/dbraw/zinc/87/91/35/599879135.db2.gz JRFGYQGBADNUPE-GFCCVEGCSA-N -1 0 332.352 3.614 20 0 EHADRM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)OCc1cc(C(=O)[O-])co1 ZINC000736700913 599879899 /nfs/dbraw/zinc/87/98/99/599879899.db2.gz ORHPUZYZCGRLHQ-LBPRGKRZSA-N -1 0 346.379 3.786 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)Nc1ccccc1 ZINC000739436954 599881129 /nfs/dbraw/zinc/88/11/29/599881129.db2.gz XIMYOBWTNKZOLI-UHFFFAOYSA-N -1 0 326.377 3.921 20 0 EHADRM C[C@H]1CC[C@H](NC(=O)Nc2cccc(CSCC(=O)[O-])c2)CC1 ZINC000738228584 599881285 /nfs/dbraw/zinc/88/12/85/599881285.db2.gz ZYZYMEZGILBBHQ-MQMHXKEQSA-N -1 0 336.457 3.705 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)C(=O)OCc2cc(C(=O)[O-])co2)c1 ZINC000736703722 599883471 /nfs/dbraw/zinc/88/34/71/599883471.db2.gz IATSDGXAXPYCFE-LBPRGKRZSA-N -1 0 332.352 3.612 20 0 EHADRM CCN(Cc1ccc2ccccc2c1)C(=O)[C@H](CC(C)C)NC(=O)[O-] ZINC000737103870 599886700 /nfs/dbraw/zinc/88/67/00/599886700.db2.gz MKPVLGFVWNCGGF-SFHVURJKSA-N -1 0 342.439 3.871 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)cc1 ZINC000238035888 599887708 /nfs/dbraw/zinc/88/77/08/599887708.db2.gz JVSWRAHDURPCPU-VQTJNVASSA-N -1 0 345.398 3.958 20 0 EHADRM O=C([O-])c1ccc(OCc2coc(-c3ccc(F)c(F)c3)n2)cc1 ZINC000738691793 599891403 /nfs/dbraw/zinc/89/14/03/599891403.db2.gz XAAIFGICWNDRIW-UHFFFAOYSA-N -1 0 331.274 3.897 20 0 EHADRM O=C([O-])c1ccc(CSCc2nccn2CC(F)(F)F)cc1 ZINC000740137340 599891523 /nfs/dbraw/zinc/89/15/23/599891523.db2.gz XHRDEYISVNZWGO-UHFFFAOYSA-N -1 0 330.331 3.577 20 0 EHADRM CCC(CC)[C@@H](NC(=O)N[C@@H]1CCCN(C(=O)[O-])C1)c1ccccc1 ZINC000736895004 599895200 /nfs/dbraw/zinc/89/52/00/599895200.db2.gz LUNBPJGFZVMUIC-IAGOWNOFSA-N -1 0 347.459 3.606 20 0 EHADRM Cc1oc(CSCc2ccn(-c3ccccc3)n2)cc1C(=O)[O-] ZINC000738975015 599896295 /nfs/dbraw/zinc/89/62/95/599896295.db2.gz JUCYVWRMPQZMRX-UHFFFAOYSA-N -1 0 328.393 3.905 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2CCCSc3ccccc32)c1 ZINC000740027179 599897133 /nfs/dbraw/zinc/89/71/33/599897133.db2.gz NVIAXWGDMGEKLG-UHFFFAOYSA-N -1 0 328.393 3.919 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)N(C)c1ccccc1C(=O)[O-] ZINC000738120182 599899042 /nfs/dbraw/zinc/89/90/42/599899042.db2.gz JVQSJOLLJPCJGD-CYBMUJFWSA-N -1 0 327.380 3.550 20 0 EHADRM O=C([O-])C1(NC(=O)C[C@@H](c2ccccc2)C(F)(F)F)CCCCC1 ZINC000238085265 599899548 /nfs/dbraw/zinc/89/95/48/599899548.db2.gz NHKYOWUWTPNFRZ-ZDUSSCGKSA-N -1 0 343.345 3.626 20 0 EHADRM CCOc1ccccc1[C@@H](C)NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000737213179 599902524 /nfs/dbraw/zinc/90/25/24/599902524.db2.gz MKWGISXZILVMAC-GFCCVEGCSA-N -1 0 328.368 3.666 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000738122002 599909521 /nfs/dbraw/zinc/90/95/21/599909521.db2.gz VZXUUTKNKCTMBU-CYBMUJFWSA-N -1 0 342.395 3.942 20 0 EHADRM CCCCCC[C@H](C)CC(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000736983742 599912515 /nfs/dbraw/zinc/91/25/15/599912515.db2.gz GHGDWPLHDPXYHO-YOEHRIQHSA-N -1 0 333.428 3.862 20 0 EHADRM CC[C@H](COC(=O)c1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000736904523 599913532 /nfs/dbraw/zinc/91/35/32/599913532.db2.gz KXTKVMXXSQVQNN-CQSZACIVSA-N -1 0 328.364 3.501 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000236965300 599915424 /nfs/dbraw/zinc/91/54/24/599915424.db2.gz PDTGLFKGRHTIKV-XKDXWZMYSA-N -1 0 325.408 3.559 20 0 EHADRM Cc1c(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)cnn1-c1ccccc1C ZINC000237742151 599915787 /nfs/dbraw/zinc/91/57/87/599915787.db2.gz UGNVKDYMGINRRP-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)CCc2cccs2)c1 ZINC000238071571 599921986 /nfs/dbraw/zinc/92/19/86/599921986.db2.gz RIYUBEZUZGUDAA-UHFFFAOYSA-N -1 0 335.450 3.637 20 0 EHADRM C[C@@H](CN(C(=O)c1ccc(-c2ccc(F)cc2)s1)C1CC1)C(=O)[O-] ZINC000237471484 599922571 /nfs/dbraw/zinc/92/25/71/599922571.db2.gz WXJDWKHRIXQWED-NSHDSACASA-N -1 0 347.411 3.880 20 0 EHADRM C[C@@H](CN(C(=O)Cc1ccc(-c2ccccc2)cc1)C1CC1)C(=O)[O-] ZINC000237445503 599923127 /nfs/dbraw/zinc/92/31/27/599923127.db2.gz LYVKKOLBAUOXKY-HNNXBMFYSA-N -1 0 337.419 3.608 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000236831413 599928844 /nfs/dbraw/zinc/92/88/44/599928844.db2.gz UBELLUNIDNYNHK-UHFFFAOYSA-N -1 0 333.334 3.569 20 0 EHADRM COc1cccc([C@@H]2CCCN2C(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000738096110 599929445 /nfs/dbraw/zinc/92/94/45/599929445.db2.gz NBWPUFNSWDHJDE-KRWDZBQOSA-N -1 0 340.379 3.762 20 0 EHADRM COc1cccc([C@H](C)C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000181653320 599930938 /nfs/dbraw/zinc/93/09/38/599930938.db2.gz VYWIKLPJBRGPIS-KSSFIOAISA-N -1 0 341.407 3.521 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N(C[C@H](C)C(=O)[O-])C3CC3)[nH]c2c1 ZINC000736566072 599931191 /nfs/dbraw/zinc/93/11/91/599931191.db2.gz HJJRXBCIFCJNOU-LBPRGKRZSA-N -1 0 328.412 3.617 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)c1cccc(C(F)F)c1)c1ccccc1 ZINC000739662433 599931275 /nfs/dbraw/zinc/93/12/75/599931275.db2.gz FVHZDZCTQPWTDK-HNNXBMFYSA-N -1 0 333.334 3.960 20 0 EHADRM CCc1ccc(CCC(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000327365977 599936105 /nfs/dbraw/zinc/93/61/05/599936105.db2.gz JSYPGYUKMFJGTP-IBGZPJMESA-N -1 0 339.435 3.904 20 0 EHADRM Cc1oc(-c2ccsc2)nc1CN(CC(=O)[O-])Cc1ccccc1 ZINC000738387376 599937859 /nfs/dbraw/zinc/93/78/59/599937859.db2.gz FGRIJLUNXVXCPE-UHFFFAOYSA-N -1 0 342.420 3.798 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000392225402 599937897 /nfs/dbraw/zinc/93/78/97/599937897.db2.gz NIVSELLYRGJNFQ-CARYKQCGSA-N -1 0 341.451 3.925 20 0 EHADRM O=C([O-])CCNC(=O)[C@@H](Sc1ccccc1Cl)c1ccccc1 ZINC000357392698 599939238 /nfs/dbraw/zinc/93/92/38/599939238.db2.gz OAEDFBFWLAOZPH-INIZCTEOSA-N -1 0 349.839 3.764 20 0 EHADRM CN(CC(=O)[O-])C(=O)[C@H](Sc1ccccc1Cl)c1ccccc1 ZINC000427762596 599939281 /nfs/dbraw/zinc/93/92/81/599939281.db2.gz HQNLLRUFLXEEQC-MRXNPFEDSA-N -1 0 349.839 3.716 20 0 EHADRM O=C([O-])CCCCNC(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000237923502 599939741 /nfs/dbraw/zinc/93/97/41/599939741.db2.gz HTVFIJCAVIUOGS-UHFFFAOYSA-N -1 0 333.334 3.617 20 0 EHADRM Cc1cccc(-c2cccc(CNC(=O)NCCCCC(=O)[O-])c2)c1 ZINC000666526819 599942489 /nfs/dbraw/zinc/94/24/89/599942489.db2.gz UCLDYRPGHHLVPD-UHFFFAOYSA-N -1 0 340.423 3.716 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)c1O ZINC000739479057 599946011 /nfs/dbraw/zinc/94/60/11/599946011.db2.gz GNSKBOLLDONTIC-UHFFFAOYSA-N -1 0 341.294 3.742 20 0 EHADRM O=C([O-])c1cccc(NC(=O)C[C@H]2CCCc3ccccc32)c1O ZINC000739224250 599946813 /nfs/dbraw/zinc/94/68/13/599946813.db2.gz XGMKEKPKYIIABP-CYBMUJFWSA-N -1 0 325.364 3.539 20 0 EHADRM Cc1ccc(CCC(=O)Nc2cccc(C(=O)[O-])c2O)cc1Cl ZINC000322729217 599949897 /nfs/dbraw/zinc/94/98/97/599949897.db2.gz XMZWNZWJCHYMMP-UHFFFAOYSA-N -1 0 333.771 3.624 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cccc(OC3CCCC3)c2)c1O ZINC000739484706 599950621 /nfs/dbraw/zinc/95/06/21/599950621.db2.gz ZPSLGFLXNZDGNZ-UHFFFAOYSA-N -1 0 341.363 3.664 20 0 EHADRM O=C([O-])c1coc(COC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)c1 ZINC000740268934 599953751 /nfs/dbraw/zinc/95/37/51/599953751.db2.gz XLIITPLQEXDQRW-ROUUACIJSA-N -1 0 336.343 3.978 20 0 EHADRM O=C([O-])Nc1ccc(Nc2ccc3nnc(-c4ccccc4)n3n2)cc1 ZINC000738666524 599958413 /nfs/dbraw/zinc/95/84/13/599958413.db2.gz HRPUSUWPFWWJKJ-UHFFFAOYSA-N -1 0 346.350 3.625 20 0 EHADRM Cc1cc(NCC(=O)N[C@H](c2ccccc2)C(C)C)ccc1C(=O)[O-] ZINC000738458381 599961214 /nfs/dbraw/zinc/96/12/14/599961214.db2.gz HBHCXRXCIPGTAM-IBGZPJMESA-N -1 0 340.423 3.619 20 0 EHADRM C[C@H](CC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F)C1CCCCC1 ZINC000736542070 599971142 /nfs/dbraw/zinc/97/11/42/599971142.db2.gz VGTKGDORKQRVJT-DIFFPNOSSA-N -1 0 339.382 3.813 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)[C@H](C)c1ccccc1F ZINC000737874553 599971254 /nfs/dbraw/zinc/97/12/54/599971254.db2.gz WHGVONDIGSIALM-VPUINMBXSA-N -1 0 344.338 3.641 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N1CCC[C@H](Cc2ccccc2)C1 ZINC000740239733 599983023 /nfs/dbraw/zinc/98/30/23/599983023.db2.gz KVARERLZPOTEKC-MRXNPFEDSA-N -1 0 338.407 3.871 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)Nc2ccccc2F)c1 ZINC000739872664 599987565 /nfs/dbraw/zinc/98/75/65/599987565.db2.gz WBRAXCCSKFIHOH-UHFFFAOYSA-N -1 0 334.372 3.788 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N[C@@H](c2ccccc2)c2cccnc2)c1 ZINC000739480391 599987785 /nfs/dbraw/zinc/98/77/85/599987785.db2.gz PWJPQJXSQAABEO-SFHVURJKSA-N -1 0 347.374 3.691 20 0 EHADRM O=C([O-])c1ccoc1COC(=O)[C@H](OC1CCCC1)c1ccccc1 ZINC000740253715 599999240 /nfs/dbraw/zinc/99/92/40/599999240.db2.gz SOIVFMIZKPSQRW-QGZVFWFLSA-N -1 0 344.363 3.722 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)Nc1cccc2c1ccn2C ZINC000737470641 600000486 /nfs/dbraw/zinc/00/04/86/600000486.db2.gz OZTGTPLSTCBXBP-UHFFFAOYSA-N -1 0 337.379 3.540 20 0 EHADRM C[C@@H](NC(=O)NC1CCC(C(=O)[O-])CC1)C12CC3CC(CC(C3)C1)C2 ZINC000326493955 600012045 /nfs/dbraw/zinc/01/20/45/600012045.db2.gz NQNDDJWFIBXOHU-KZOCVSGPSA-N -1 0 348.487 3.534 20 0 EHADRM Cc1cc(NC(=O)N[C@H](C)c2c(F)cccc2F)ccc1C(=O)[O-] ZINC000738442144 600014910 /nfs/dbraw/zinc/01/49/10/600014910.db2.gz MZKHSSOENWESNU-SNVBAGLBSA-N -1 0 334.322 3.854 20 0 EHADRM Cc1cc(NC(=O)N(C)Cc2ccc(F)cc2F)ccc1C(=O)[O-] ZINC000738438561 600015578 /nfs/dbraw/zinc/01/55/78/600015578.db2.gz ZWSLBMUTDUBOBM-UHFFFAOYSA-N -1 0 334.322 3.635 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N(C)[C@H](C)c1cccc(O)c1 ZINC000738528153 600016554 /nfs/dbraw/zinc/01/65/54/600016554.db2.gz KYMOUEUZDVJBQK-GFCCVEGCSA-N -1 0 328.368 3.624 20 0 EHADRM Cc1cccc(C2(C(=O)N3CCC[C@@H](C(=O)[O-])C3)CCCCC2)c1 ZINC000237924638 600018189 /nfs/dbraw/zinc/01/81/89/600018189.db2.gz IEUPHZXWZNJYAQ-MRXNPFEDSA-N -1 0 329.440 3.520 20 0 EHADRM CC(C)c1ccc(CNC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000392734871 600019756 /nfs/dbraw/zinc/01/97/56/600019756.db2.gz VCNZMTVHMAYGJM-UHFFFAOYSA-N -1 0 338.407 3.734 20 0 EHADRM CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000736252918 600019796 /nfs/dbraw/zinc/01/97/96/600019796.db2.gz SIHRJSABMBESEX-KNIAUWFNSA-N -1 0 338.492 3.782 20 0 EHADRM CCCN(CC1CC1)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000737020338 600020698 /nfs/dbraw/zinc/02/06/98/600020698.db2.gz VJSQRVPMWMBART-UHFFFAOYSA-N -1 0 336.457 3.658 20 0 EHADRM C[C@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736718099 600022007 /nfs/dbraw/zinc/02/20/07/600022007.db2.gz QICZEUJPGBVEQI-SNVBAGLBSA-N -1 0 347.346 3.846 20 0 EHADRM CC(C)(C)c1ccc(OCC(=O)Oc2cccc(CC(=O)[O-])c2)cc1 ZINC000736300030 600023738 /nfs/dbraw/zinc/02/37/38/600023738.db2.gz QBCORUCRMRMMIA-UHFFFAOYSA-N -1 0 342.391 3.596 20 0 EHADRM Cc1cccc(C[C@H](CNC(=O)Nc2c(C)cccc2C)C(=O)[O-])c1 ZINC000738707100 600025545 /nfs/dbraw/zinc/02/55/45/600025545.db2.gz DVTICJSBYCUODS-QGZVFWFLSA-N -1 0 340.423 3.677 20 0 EHADRM Cc1cc2occ(CC(=O)Oc3cccc(CC(=O)[O-])c3)c2cc1C ZINC000738487013 600026397 /nfs/dbraw/zinc/02/63/97/600026397.db2.gz NRVXUVSYROWUJE-UHFFFAOYSA-N -1 0 338.359 3.825 20 0 EHADRM Cc1ccc([C@@H](C)N(C)C(=O)NC2CCC(C(=O)[O-])CC2)c(C)c1 ZINC000263475468 600027466 /nfs/dbraw/zinc/02/74/66/600027466.db2.gz MMGLBZTYRJMBMI-QQFBHYJXSA-N -1 0 332.444 3.649 20 0 EHADRM CCN(CC(=O)[O-])Cn1c(C)c(C)n(C2CCCCC2)c1=S ZINC000737074261 600027505 /nfs/dbraw/zinc/02/75/05/600027505.db2.gz DIIZOOCTLWIFDH-UHFFFAOYSA-N -1 0 325.478 3.505 20 0 EHADRM CCCOc1ccc(NC(=O)NC2CCC(C(=O)[O-])CC2)c(C)c1 ZINC000263489923 600028926 /nfs/dbraw/zinc/02/89/26/600028926.db2.gz OGDPSTQRTPDUON-UHFFFAOYSA-N -1 0 334.416 3.549 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000669493628 600030857 /nfs/dbraw/zinc/03/08/57/600030857.db2.gz MGYVIIZBFVMLRS-UHFFFAOYSA-N -1 0 348.443 3.758 20 0 EHADRM Cc1ccc2c(c1)[C@H](NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)CC2 ZINC000738671025 600032761 /nfs/dbraw/zinc/03/27/61/600032761.db2.gz PJNQMQIJQJAJIZ-OAHLLOKOSA-N -1 0 346.333 3.780 20 0 EHADRM CC[C@@H](CNC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000236954921 600034654 /nfs/dbraw/zinc/03/46/54/600034654.db2.gz SNEOJRKHOIVDTA-INIZCTEOSA-N -1 0 325.408 3.627 20 0 EHADRM CCC[C@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000236972820 600034694 /nfs/dbraw/zinc/03/46/94/600034694.db2.gz NJXHEZQQSJIQGV-SFHVURJKSA-N -1 0 325.408 3.975 20 0 EHADRM CCc1ccc([C@@H](C)NC(=O)CNc2cc(C(=O)[O-])ccc2C)cc1 ZINC000737257452 600035781 /nfs/dbraw/zinc/03/57/81/600035781.db2.gz OVUKSQHNZCZGKR-CQSZACIVSA-N -1 0 340.423 3.545 20 0 EHADRM COc1ccccc1C/C(C)=C/C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000738125057 600036404 /nfs/dbraw/zinc/03/64/04/600036404.db2.gz YGAUTTRUCRFTRI-BUHFOSPRSA-N -1 0 339.391 3.545 20 0 EHADRM CCN(C(=O)CCc1ccc(C(=O)[O-])cc1)c1cc(C)cc(C)c1 ZINC000237086206 600037415 /nfs/dbraw/zinc/03/74/15/600037415.db2.gz PHAXTVKQSXUESD-UHFFFAOYSA-N -1 0 325.408 3.987 20 0 EHADRM COc1c(C)ccc(NC(=O)CCc2ccc(C(=O)[O-])cc2)c1C ZINC000181915867 600038402 /nfs/dbraw/zinc/03/84/02/600038402.db2.gz MMSCBLATKNOFCA-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM CC(C)C[C@@H](C)n1nccc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000736403229 600038588 /nfs/dbraw/zinc/03/85/88/600038588.db2.gz CUTXEBFLDCPMSS-CQSZACIVSA-N -1 0 343.427 3.760 20 0 EHADRM COc1cccc([C@H]2C[C@H]2C(=O)Nc2cccc(NC(=O)[O-])c2)c1 ZINC000738096531 600038761 /nfs/dbraw/zinc/03/87/61/600038761.db2.gz PFLAZJBBGSAWAK-HZPDHXFCSA-N -1 0 326.352 3.527 20 0 EHADRM CCC1CCC(N(C)C(=O)NCCc2ccc(C(=O)[O-])cc2)CC1 ZINC000391989023 600040561 /nfs/dbraw/zinc/04/05/61/600040561.db2.gz XOCOLMRJNZDFML-UHFFFAOYSA-N -1 0 332.444 3.538 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N[C@H]2CCc3c2cccc3Cl)cc1 ZINC000238072998 600041141 /nfs/dbraw/zinc/04/11/41/600041141.db2.gz DJIMYHUDYLWNDR-KRWDZBQOSA-N -1 0 343.810 3.775 20 0 EHADRM CC(C)OCc1cccc(NC(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000236594060 600041696 /nfs/dbraw/zinc/04/16/96/600041696.db2.gz OAYAHRYNKGFJHR-UHFFFAOYSA-N -1 0 341.407 3.881 20 0 EHADRM CCc1[nH]c(C(=O)Nc2cccc(N(C)C(C)C)c2)c(C)c1C(=O)[O-] ZINC000737246898 600046625 /nfs/dbraw/zinc/04/66/25/600046625.db2.gz ZICFTFRPZDAVPH-UHFFFAOYSA-N -1 0 343.427 3.681 20 0 EHADRM COc1ccc(CCCCCC(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000262011293 600048888 /nfs/dbraw/zinc/04/88/88/600048888.db2.gz FLDBSIRYLXKKGP-UHFFFAOYSA-N -1 0 347.455 3.558 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000507291455 600050565 /nfs/dbraw/zinc/05/05/65/600050565.db2.gz WLGHLTKFHJGMKN-DQPZFDDXSA-N -1 0 347.455 3.727 20 0 EHADRM Cc1c(C(=O)NC2CCC(C(=O)[O-])CC2)oc2c1c(C)ccc2C ZINC000262029788 600051497 /nfs/dbraw/zinc/05/14/97/600051497.db2.gz GUONSTVKZKBJRH-UHFFFAOYSA-N -1 0 329.396 3.731 20 0 EHADRM CC(C)(C(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1Cl ZINC000676211915 600059821 /nfs/dbraw/zinc/05/98/21/600059821.db2.gz RNTBLXOBZOMTPF-UHFFFAOYSA-N -1 0 331.799 3.632 20 0 EHADRM CC(C)(C(=O)NCCCCCCC(=O)[O-])c1ccccc1Cl ZINC000262194269 600061345 /nfs/dbraw/zinc/06/13/45/600061345.db2.gz ZDPDNXLDKALTCX-UHFFFAOYSA-N -1 0 325.836 3.769 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000739550913 600061653 /nfs/dbraw/zinc/06/16/53/600061653.db2.gz ZBJZXEZHHUMGMJ-QWHCGFSZSA-N -1 0 338.388 3.623 20 0 EHADRM CC[C@@H](CC(=O)N(CC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC000347388421 600062037 /nfs/dbraw/zinc/06/20/37/600062037.db2.gz YUZIEZMTGSPWDC-KRWDZBQOSA-N -1 0 325.408 3.684 20 0 EHADRM CCCc1ccc([C@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])c2cccs2)cc1 ZINC000485648297 600062827 /nfs/dbraw/zinc/06/28/27/600062827.db2.gz PXQAHZBDZZQRMK-INMHGKMJSA-N -1 0 343.448 3.627 20 0 EHADRM Cc1ccc(CC(=O)Nc2cccc(CSCCC(=O)[O-])c2)s1 ZINC000237674504 600065694 /nfs/dbraw/zinc/06/56/94/600065694.db2.gz PEIFORZMBYOKBB-UHFFFAOYSA-N -1 0 349.477 3.946 20 0 EHADRM Cc1ccc(C)n1-c1sccc1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000738580208 600075538 /nfs/dbraw/zinc/07/55/38/600075538.db2.gz ZRYWIRZGRSJYCN-UHFFFAOYSA-N -1 0 346.452 3.529 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(Cn1c3ccccc3oc1=S)C2 ZINC000740202054 600078492 /nfs/dbraw/zinc/07/84/92/600078492.db2.gz HXLZZIBSRRNAEI-UHFFFAOYSA-N -1 0 326.377 3.635 20 0 EHADRM Cc1ccc(OCCC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c(C)c1 ZINC000738642854 600088102 /nfs/dbraw/zinc/08/81/02/600088102.db2.gz CQMANHODDMVETC-UHFFFAOYSA-N -1 0 346.358 3.940 20 0 EHADRM Cc1cc(C)cc(OCC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000738364356 600090009 /nfs/dbraw/zinc/09/00/09/600090009.db2.gz PZUPWNOTUVWNGG-UHFFFAOYSA-N -1 0 332.331 3.550 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)CCC(=O)c2cccs2)ccc1F ZINC000740004957 600090284 /nfs/dbraw/zinc/09/02/84/600090284.db2.gz CIWUAHSGDDULHO-UHFFFAOYSA-N -1 0 336.344 3.579 20 0 EHADRM CCc1cccc2c(CC(=O)Oc3cccc(CC(=O)[O-])c3)c[nH]c21 ZINC000737271558 600100666 /nfs/dbraw/zinc/10/06/66/600100666.db2.gz BSXVQJCWEQTDAY-UHFFFAOYSA-N -1 0 337.375 3.506 20 0 EHADRM C[C@H](CN(C)C(=O)c1ccc(-c2ccc(Cl)cc2)cc1F)C(=O)[O-] ZINC000736576345 600101298 /nfs/dbraw/zinc/10/12/98/600101298.db2.gz YBNHKKMPYLFEFM-LLVKDONJSA-N -1 0 349.789 3.939 20 0 EHADRM O=C([O-])c1ccc(-c2nc(-c3cccc(Br)c3)no2)cc1 ZINC000061811193 600107345 /nfs/dbraw/zinc/10/73/45/600107345.db2.gz XOAQDPCWYMMAJG-UHFFFAOYSA-N -1 0 345.152 3.864 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)NCc2ccccc2)c1 ZINC000739754429 600108237 /nfs/dbraw/zinc/10/82/37/600108237.db2.gz PXWGDKKTSRGULG-UHFFFAOYSA-N -1 0 344.436 3.716 20 0 EHADRM COc1ccccc1C/C(C)=C/C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000738123768 600108801 /nfs/dbraw/zinc/10/88/01/600108801.db2.gz HWBDAIZYHJCTOW-YLSINNKHSA-N -1 0 344.363 3.780 20 0 EHADRM COc1ccc(-c2ccc(C(=O)O[C@@H](C(=O)[O-])C(C)C)c(F)c2)cc1 ZINC000737909573 600108871 /nfs/dbraw/zinc/10/88/71/600108871.db2.gz LNZHJZNLYHOHNJ-QGZVFWFLSA-N -1 0 346.354 3.767 20 0 EHADRM CC(C)(C)c1ncc(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)s1 ZINC000736303455 600110377 /nfs/dbraw/zinc/11/03/77/600110377.db2.gz MSDHBZJPFXXPEV-UHFFFAOYSA-N -1 0 329.381 3.856 20 0 EHADRM Cc1ccc(NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c(Cl)c1 ZINC000391191060 600111322 /nfs/dbraw/zinc/11/13/22/600111322.db2.gz VVKHPMDRNUDAGU-UHFFFAOYSA-N -1 0 330.771 3.894 20 0 EHADRM O=C([O-])c1ccc(-c2noc(COc3ccc(F)cc3Cl)n2)cc1 ZINC000740101308 600111860 /nfs/dbraw/zinc/11/18/60/600111860.db2.gz GRNIEPUIZILKGE-UHFFFAOYSA-N -1 0 348.717 3.806 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000740079270 600115477 /nfs/dbraw/zinc/11/54/77/600115477.db2.gz NNLZLXWMZIAKHZ-GXSJLCMTSA-N -1 0 348.292 3.936 20 0 EHADRM Cc1cccc2[nH]cc(CC(=O)OCc3ccc(F)cc3C(=O)[O-])c21 ZINC000738746603 600118827 /nfs/dbraw/zinc/11/88/27/600118827.db2.gz IBOPLIFNRGALKJ-UHFFFAOYSA-N -1 0 341.338 3.600 20 0 EHADRM CC(C)[C@H]1CCC[C@H](NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC000736394413 600120733 /nfs/dbraw/zinc/12/07/33/600120733.db2.gz GXUWEZXLKHVSPI-HOCLYGCPSA-N -1 0 348.443 3.876 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC000736892622 600123036 /nfs/dbraw/zinc/12/30/36/600123036.db2.gz WPBWARVIRHQQFO-LLVKDONJSA-N -1 0 330.384 3.552 20 0 EHADRM Cc1c(Cl)c(C(=O)[O-])nn1CN1CCC[C@@H](c2ccccc2)CC1 ZINC000738292076 600125860 /nfs/dbraw/zinc/12/58/60/600125860.db2.gz YLXKUNZVKXUISV-OAHLLOKOSA-N -1 0 347.846 3.770 20 0 EHADRM CC(C)n1ncc2cc(CNc3ccc(F)c(NC(=O)[O-])c3)cnc21 ZINC000736539497 600127301 /nfs/dbraw/zinc/12/73/01/600127301.db2.gz GUBMSMCELCRHDJ-UHFFFAOYSA-N -1 0 343.362 3.853 20 0 EHADRM CCCOc1cccc(C(=O)N[C@](CC)(C(=O)[O-])c2ccccc2)c1 ZINC000485365433 600134157 /nfs/dbraw/zinc/13/41/57/600134157.db2.gz CFPIUUWJVRHFIL-FQEVSTJZSA-N -1 0 341.407 3.595 20 0 EHADRM Cc1ccc(OC(=O)[C@H](C)Oc2cccc(Cl)c2)c(C(=O)[O-])c1 ZINC000738637657 600134901 /nfs/dbraw/zinc/13/49/01/600134901.db2.gz YDENBSIABLEQDG-NSHDSACASA-N -1 0 334.755 3.720 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N[C@@H](C(=O)[O-])C(C)C)c(F)c2)cc1C ZINC000738487711 600150583 /nfs/dbraw/zinc/15/05/83/600150583.db2.gz DLCQIWOLXXGDES-GOSISDBHSA-N -1 0 343.398 3.949 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000236971539 600151434 /nfs/dbraw/zinc/15/14/34/600151434.db2.gz YJQMALNNVSJIOQ-PRAYIBQGSA-N -1 0 344.238 3.712 20 0 EHADRM CC(C)(CCc1ccccc1)NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000392368723 600156585 /nfs/dbraw/zinc/15/65/85/600156585.db2.gz FSWWAAUJRULWKA-UHFFFAOYSA-N -1 0 326.396 3.918 20 0 EHADRM CSCc1ccc(NC(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000738145806 600157343 /nfs/dbraw/zinc/15/73/43/600157343.db2.gz FKFMBUXQVFEUMV-UHFFFAOYSA-N -1 0 330.409 3.570 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)c2csc3c2CCCC3)C(=O)[O-])cc1 ZINC000486399015 600161903 /nfs/dbraw/zinc/16/19/03/600161903.db2.gz SWOAORWEKFKZBB-OAHLLOKOSA-N -1 0 343.448 3.534 20 0 EHADRM Cc1ccc([C@H](CNC(=O)CCc2ccc(C)cc2C)C(=O)[O-])cc1 ZINC000486368252 600162697 /nfs/dbraw/zinc/16/26/97/600162697.db2.gz HTCQWRNAPLVDKL-IBGZPJMESA-N -1 0 339.435 3.529 20 0 EHADRM CCc1ccc([C@H](C)C(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000486385542 600163471 /nfs/dbraw/zinc/16/34/71/600163471.db2.gz HZWVGGBCEVISRY-HNAYVOBHSA-N -1 0 339.435 3.646 20 0 EHADRM CCCCN(C)c1ccc(NC(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000736992267 600166536 /nfs/dbraw/zinc/16/65/36/600166536.db2.gz FMKDTVZZEBAQCP-UHFFFAOYSA-N -1 0 332.425 3.935 20 0 EHADRM Cc1sc2ncnc(NC[C@@H](C(=O)[O-])c3ccc(C)cc3)c2c1C ZINC000738570334 600167845 /nfs/dbraw/zinc/16/78/45/600167845.db2.gz ZJXLHXJCSIRMQN-CQSZACIVSA-N -1 0 341.436 3.897 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)Nc2ccccc2Cl)C(=O)[O-])cc1 ZINC000738560975 600172405 /nfs/dbraw/zinc/17/24/05/600172405.db2.gz NILUYVAQDPSZEK-CYBMUJFWSA-N -1 0 332.787 3.638 20 0 EHADRM Cc1ccc([C@H](CNC(=O)Nc2ccc(C)c(C)c2)C(=O)[O-])cc1 ZINC000738562446 600176860 /nfs/dbraw/zinc/17/68/60/600176860.db2.gz VLPCDTNXNWXVOK-KRWDZBQOSA-N -1 0 326.396 3.602 20 0 EHADRM CCCc1ccccc1NC(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000737051022 600177177 /nfs/dbraw/zinc/17/71/77/600177177.db2.gz PEXCYOIWXJQNOR-QGZVFWFLSA-N -1 0 340.423 3.937 20 0 EHADRM Cc1ccc(C[C@H]2CCCN2C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000738590036 600178190 /nfs/dbraw/zinc/17/81/90/600178190.db2.gz YYGZNOZNGRQYCE-GOSISDBHSA-N -1 0 338.407 3.932 20 0 EHADRM CCCC[C@H](CC)CNC(=S)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000736980760 600188975 /nfs/dbraw/zinc/18/89/75/600188975.db2.gz BZAZBYMNPSWQAW-ZFWWWQNUSA-N -1 0 334.485 3.766 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c1C ZINC000738692115 600191416 /nfs/dbraw/zinc/19/14/16/600191416.db2.gz PTTUHRKMVGIFOD-OAHLLOKOSA-N -1 0 340.423 3.904 20 0 EHADRM Cc1cc(C)c(C)c(OCCC(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC000738356326 600202123 /nfs/dbraw/zinc/20/21/23/600202123.db2.gz WVMZESDODLEYHA-UHFFFAOYSA-N -1 0 345.370 3.857 20 0 EHADRM CCC/C(C)=C\C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000736958415 600204189 /nfs/dbraw/zinc/20/41/89/600204189.db2.gz BLPXVKONHHRFAO-XFXZXTDPSA-N -1 0 325.355 3.515 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)c1 ZINC000740043558 600207181 /nfs/dbraw/zinc/20/71/81/600207181.db2.gz WSKPMIUHANNYSA-NEPJUHHUSA-N -1 0 332.306 3.797 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)c(C)s1 ZINC000738336114 600211975 /nfs/dbraw/zinc/21/19/75/600211975.db2.gz XMVVYLXXESCXBD-UHFFFAOYSA-N -1 0 341.335 3.917 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(F)cc(F)c2)c(OC(F)F)c1 ZINC000740149880 600212379 /nfs/dbraw/zinc/21/23/79/600212379.db2.gz FPVRQKRQNWLRMK-UHFFFAOYSA-N -1 0 343.232 3.517 20 0 EHADRM Cc1ccc(-c2nc(CN(C)[C@H](C(=O)[O-])c3ccccc3)cs2)o1 ZINC000738489558 600214060 /nfs/dbraw/zinc/21/40/60/600214060.db2.gz BGOBVPHIJVCZFI-INIZCTEOSA-N -1 0 342.420 3.969 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000262135279 600214760 /nfs/dbraw/zinc/21/47/60/600214760.db2.gz OGVGSGHSBGPZPR-DOTOQJQBSA-N -1 0 341.432 3.772 20 0 EHADRM CCCOc1ccccc1NC(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000737034433 600226247 /nfs/dbraw/zinc/22/62/47/600226247.db2.gz KISNDPGCUXMHRU-UHFFFAOYSA-N -1 0 344.367 3.583 20 0 EHADRM CC(=O)Nc1cc(NC(=O)Nc2cccc(C(=O)[O-])c2C)ccc1C ZINC000736158195 600228509 /nfs/dbraw/zinc/22/85/09/600228509.db2.gz NKZHKCANMFAIRN-UHFFFAOYSA-N -1 0 341.367 3.604 20 0 EHADRM CC(C)(C)c1ncc(NC(=O)Nc2cccc(NC(=O)[O-])c2)cn1 ZINC000736306175 600231717 /nfs/dbraw/zinc/23/17/17/600231717.db2.gz BUTZVYLFPZIMJR-UHFFFAOYSA-N -1 0 329.360 3.508 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(F)c(C(=O)[O-])c2)o1 ZINC000738584528 600241593 /nfs/dbraw/zinc/24/15/93/600241593.db2.gz XUHDLDHUMVRQEZ-AWEZNQCLSA-N -1 0 332.331 3.794 20 0 EHADRM Cc1ccc(Cl)c(OCc2nc(-c3ccc(C(=O)[O-])cc3)no2)c1 ZINC000738604478 600246240 /nfs/dbraw/zinc/24/62/40/600246240.db2.gz IMCHYPGFWJVHQH-UHFFFAOYSA-N -1 0 344.754 3.976 20 0 EHADRM Cc1[nH]c(C(=O)CSc2nc3cc(C)ccc3o2)c(C)c1C(=O)[O-] ZINC000738308490 600247567 /nfs/dbraw/zinc/24/75/67/600247567.db2.gz KQMDFSNWIUXQSQ-UHFFFAOYSA-N -1 0 344.392 3.754 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cc(Br)ccc2F)cc1 ZINC000036753151 600247963 /nfs/dbraw/zinc/24/79/63/600247963.db2.gz PPHSOHZNSIEBPY-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC000736929788 600251363 /nfs/dbraw/zinc/25/13/63/600251363.db2.gz VVLVJSBPMLWRCP-HNNXBMFYSA-N -1 0 344.411 3.941 20 0 EHADRM Cc1cc(NC(=O)c2cccc(Oc3nccs3)c2)c(C(=O)[O-])[nH]1 ZINC000738452271 600251986 /nfs/dbraw/zinc/25/19/86/600251986.db2.gz WCMYVVJGOWWXMX-UHFFFAOYSA-N -1 0 343.364 3.522 20 0 EHADRM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cccc(C(=O)[O-])c1 ZINC000237542766 600253291 /nfs/dbraw/zinc/25/32/91/600253291.db2.gz HPICNUMXBBJSPF-BLLLJJGKSA-N -1 0 327.355 3.542 20 0 EHADRM CC(C)(C)c1cccc(OCCNC(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000736300032 600260529 /nfs/dbraw/zinc/26/05/29/600260529.db2.gz QBOYUXXJBATIGR-UHFFFAOYSA-N -1 0 347.436 3.553 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(C(=O)[C@@H]1C[C@@H]1c1cccc3ccccc31)CC2 ZINC000262158025 600268372 /nfs/dbraw/zinc/26/83/72/600268372.db2.gz PEIWYBROGQRXOI-QRVBRYPASA-N -1 0 349.430 3.657 20 0 EHADRM COc1ccccc1-c1cccc(NC(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC000190614390 600268608 /nfs/dbraw/zinc/26/86/08/600268608.db2.gz JDIHUBYIAULAEV-UHFFFAOYSA-N -1 0 348.358 3.708 20 0 EHADRM C[C@@H](NC(=S)Nc1ccc(CN(C)C(=O)[O-])cc1)c1ccccc1 ZINC000736660536 600279253 /nfs/dbraw/zinc/27/92/53/600279253.db2.gz KXXXEARHIWYKMA-CYBMUJFWSA-N -1 0 343.452 3.844 20 0 EHADRM Cc1cc(C)cc(NC(=S)Nc2ccc(CNC(=O)[O-])cc2)c1 ZINC000738364590 600279688 /nfs/dbraw/zinc/27/96/88/600279688.db2.gz SKNUZNXZUCYMPV-UHFFFAOYSA-N -1 0 329.425 3.880 20 0 EHADRM Cc1cccc(CNC(=O)COc2c(C(=O)[O-])ccc3ccccc32)c1 ZINC000738716868 600282475 /nfs/dbraw/zinc/28/24/75/600282475.db2.gz FPEDRYQXZLHWAP-UHFFFAOYSA-N -1 0 349.386 3.542 20 0 EHADRM COCc1ccc(CNC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000737834705 600283722 /nfs/dbraw/zinc/28/37/22/600283722.db2.gz XEECIYZYEUHVJL-UHFFFAOYSA-N -1 0 348.786 3.506 20 0 EHADRM CN(Cc1ccc(NC(=O)C(C)(C)c2ccc(F)cc2)cc1)C(=O)[O-] ZINC000737479334 600284635 /nfs/dbraw/zinc/28/46/35/600284635.db2.gz WOCPIUFLNMPMKP-UHFFFAOYSA-N -1 0 344.386 3.852 20 0 EHADRM O=C([O-])[C@@H]1CN(Cc2csc3ccccc23)c2ccccc2O1 ZINC000739616631 600288605 /nfs/dbraw/zinc/28/86/05/600288605.db2.gz PVSBPGCMKMJDJU-INIZCTEOSA-N -1 0 325.389 3.754 20 0 EHADRM O=C([O-])[C@H]1CN(Cc2csc3ccccc23)c2ccccc2O1 ZINC000739616633 600288632 /nfs/dbraw/zinc/28/86/32/600288632.db2.gz PVSBPGCMKMJDJU-MRXNPFEDSA-N -1 0 325.389 3.754 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)c2cc3c(s2)CCCC3)cc1 ZINC000739992739 600289075 /nfs/dbraw/zinc/28/90/75/600289075.db2.gz UYIZQNPMULQBHQ-UHFFFAOYSA-N -1 0 330.409 3.647 20 0 EHADRM CCCCOc1ccc(C(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000737000061 600292545 /nfs/dbraw/zinc/29/25/45/600292545.db2.gz QIOLHZXFFLNRJR-UHFFFAOYSA-N -1 0 342.395 3.885 20 0 EHADRM CN(Cc1noc(CCCC(=O)[O-])n1)C1CCC(C(C)(C)C)CC1 ZINC000737501134 600293693 /nfs/dbraw/zinc/29/36/93/600293693.db2.gz QAZQPEQIFAFVJP-UHFFFAOYSA-N -1 0 337.464 3.514 20 0 EHADRM CC(C)COc1cccc(C(=O)Nc2ccc(CNC(=O)[O-])cc2)c1 ZINC000736449090 600296133 /nfs/dbraw/zinc/29/61/33/600296133.db2.gz YXAVLOLAOFITOI-UHFFFAOYSA-N -1 0 342.395 3.741 20 0 EHADRM CCn1cc(C(=O)Nc2ccc(CNC(=O)[O-])cc2)c2ccccc21 ZINC000737302087 600308964 /nfs/dbraw/zinc/30/89/64/600308964.db2.gz MTHDXXIAERNMJE-UHFFFAOYSA-N -1 0 337.379 3.681 20 0 EHADRM Cc1cc(Nc2ccc(CN(C)C(=O)[O-])cc2)nc(-c2ccccn2)n1 ZINC000738463453 600313734 /nfs/dbraw/zinc/31/37/34/600313734.db2.gz DVZIIDWDQALGSW-UHFFFAOYSA-N -1 0 349.394 3.700 20 0 EHADRM CCOc1ccc(CC(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000737198096 600319907 /nfs/dbraw/zinc/31/99/07/600319907.db2.gz ARMXOGTYCSZVHV-QGZVFWFLSA-N -1 0 348.782 3.650 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cc2ccccc2[nH]1)c1cccc(Cl)c1 ZINC000740289167 600320782 /nfs/dbraw/zinc/32/07/82/600320782.db2.gz DRASXVHOSHPSSS-HNNXBMFYSA-N -1 0 329.739 3.804 20 0 EHADRM COc1ccc(/C=C\C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000737983790 600321350 /nfs/dbraw/zinc/32/13/50/600321350.db2.gz XHFZMQOYWHUUKK-JEZWAEDTSA-N -1 0 346.766 3.731 20 0 EHADRM C[C@H](Nc1ccc(CN(C)C(=O)[O-])cc1)c1nc(C(C)(C)C)no1 ZINC000736674641 600326119 /nfs/dbraw/zinc/32/61/19/600326119.db2.gz ZKMXWBNVOQNMMA-NSHDSACASA-N -1 0 332.404 3.650 20 0 EHADRM Cc1cccc(NC(=O)[C@@H](C)Nc2ccc(CNC(=O)[O-])cc2)c1C ZINC000738733396 600327484 /nfs/dbraw/zinc/32/74/84/600327484.db2.gz VTEVEGZYXZJWSI-CQSZACIVSA-N -1 0 341.411 3.510 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1c[nH]c2cc(F)ccc21)c1cccc(Cl)c1 ZINC000740288478 600328337 /nfs/dbraw/zinc/32/83/37/600328337.db2.gz AUELZHOROMAKJK-OAHLLOKOSA-N -1 0 347.729 3.943 20 0 EHADRM O=C([O-])CC[C@H](NCc1occc1Br)c1ccccc1 ZINC000739662546 600329473 /nfs/dbraw/zinc/32/94/73/600329473.db2.gz PUHALXIZSFHVIE-ZDUSSCGKSA-N -1 0 338.201 3.738 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccc2c(c1)CCCN2)c1cccc(Cl)c1 ZINC000740300856 600330252 /nfs/dbraw/zinc/33/02/52/600330252.db2.gz XAFBNHSZPHZUNO-INIZCTEOSA-N -1 0 345.782 3.681 20 0 EHADRM CC[C@@H]1CN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C[C@@H](C)O1 ZINC000736944338 600331653 /nfs/dbraw/zinc/33/16/53/600331653.db2.gz SAUGFGKCOKNUCV-MLGOLLRUSA-N -1 0 346.452 3.508 20 0 EHADRM Cc1cc(F)ccc1NC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000738401553 600335011 /nfs/dbraw/zinc/33/50/11/600335011.db2.gz FLCKCZYBKJAYCW-UHFFFAOYSA-N -1 0 331.347 3.888 20 0 EHADRM CS[C@H]1CCC[C@H](NC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000318881992 600336402 /nfs/dbraw/zinc/33/64/02/600336402.db2.gz MXFJPUDAIFIQRT-ONGXEEELSA-N -1 0 342.848 3.834 20 0 EHADRM CN(Cc1ccsc1)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000737483577 600341944 /nfs/dbraw/zinc/34/19/44/600341944.db2.gz QMBYXXRTKABBSM-UHFFFAOYSA-N -1 0 333.413 3.522 20 0 EHADRM Cc1cccc(CN(C)C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)c1 ZINC000738707796 600347607 /nfs/dbraw/zinc/34/76/07/600347607.db2.gz FNRHOOWLCFREQH-UHFFFAOYSA-N -1 0 341.411 3.769 20 0 EHADRM O=C([O-])Nc1ccc(N[C@H]2CCN(c3ccccc3Cl)C2=O)cc1 ZINC000738667721 600350165 /nfs/dbraw/zinc/35/01/65/600350165.db2.gz SSLHBHGSPNXRGR-AWEZNQCLSA-N -1 0 345.786 3.647 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2ccc(CNC(=O)[O-])cc2)c(C)c1 ZINC000738550377 600354766 /nfs/dbraw/zinc/35/47/66/600354766.db2.gz DNUFVKCSRQFPFH-CQSZACIVSA-N -1 0 341.411 3.954 20 0 EHADRM C[C@@H]1CCCC[C@H]1CCNC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736778554 600355586 /nfs/dbraw/zinc/35/55/86/600355586.db2.gz GPPAOXNIOTWSQP-HIFRSBDPSA-N -1 0 333.432 3.792 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000739987453 600355990 /nfs/dbraw/zinc/35/59/90/600355990.db2.gz AQLHLHWXAKTNDJ-ZMSDIMECSA-N -1 0 345.443 3.935 20 0 EHADRM Cc1cc(NC(=O)COc2cccc(C(C)C)c2)sc1C(=O)[O-] ZINC000319810942 600370517 /nfs/dbraw/zinc/37/05/17/600370517.db2.gz KKDJBCANIPQHQB-UHFFFAOYSA-N -1 0 333.409 3.896 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)[C@H](C)c1ccsc1 ZINC000737871325 600374376 /nfs/dbraw/zinc/37/43/76/600374376.db2.gz KDLUHDVIQKCKSD-DUMNWFOQSA-N -1 0 332.377 3.564 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1 ZINC000499192016 600375333 /nfs/dbraw/zinc/37/53/33/600375333.db2.gz SBYDMQNJWUVUHR-AWEZNQCLSA-N -1 0 341.407 3.845 20 0 EHADRM CC[C@H](CC(=O)Nc1nc(CC(=O)[O-])cs1)c1ccc(C)cc1 ZINC000236939865 600376203 /nfs/dbraw/zinc/37/62/03/600376203.db2.gz BPXNCNCPFPLSSE-GFCCVEGCSA-N -1 0 332.425 3.601 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000236976321 600378233 /nfs/dbraw/zinc/37/82/33/600378233.db2.gz FFRJJYPVFYVPIQ-DNVCBOLYSA-N -1 0 339.435 3.555 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)CSc1ccc(C)cc1)c1ccccc1 ZINC000736852287 600379446 /nfs/dbraw/zinc/37/94/46/600379446.db2.gz MZCIMYANILEHAD-KRWDZBQOSA-N -1 0 343.448 3.984 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000236742672 600379501 /nfs/dbraw/zinc/37/95/01/600379501.db2.gz AHGZLCFNKNPBAV-LBPRGKRZSA-N -1 0 345.361 3.596 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1cc(Cl)ccc1F)c1ccccc1 ZINC000736854125 600379611 /nfs/dbraw/zinc/37/96/11/600379611.db2.gz XIKKNSXNROILER-OAHLLOKOSA-N -1 0 335.762 3.989 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)CSc1ccccc1)c1ccccc1 ZINC000736854083 600379763 /nfs/dbraw/zinc/37/97/63/600379763.db2.gz XEPBLSHMGJWIBW-INIZCTEOSA-N -1 0 329.421 3.675 20 0 EHADRM C[C@@H](CC(=O)N[C@](C)(C(=O)[O-])C1CC1)c1cccc(C(F)(F)F)c1 ZINC000237524122 600379830 /nfs/dbraw/zinc/37/98/30/600379830.db2.gz NWKWALWDAUYPSS-QFYYESIMSA-N -1 0 343.345 3.569 20 0 EHADRM CC[C@@H](CC(=O)N(CC(=O)[O-])c1ccccc1)c1ccc(C)cc1 ZINC000736893099 600380100 /nfs/dbraw/zinc/38/01/00/600380100.db2.gz VAXNEPHHIQHEMZ-INIZCTEOSA-N -1 0 325.408 3.997 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)/C=C/c1ccnc2ccccc12 ZINC000739215758 600383420 /nfs/dbraw/zinc/38/34/20/600383420.db2.gz LJPQJXLSECTMCC-CMDGGOBGSA-N -1 0 336.322 3.724 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)c2c(F)cccc2Cl)cc1 ZINC000740022467 600383730 /nfs/dbraw/zinc/38/37/30/600383730.db2.gz CGVQEZHZMOMNQA-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM CCOc1cccc(C(=O)N(c2ccccc2)[C@@H](CC)C(=O)[O-])c1 ZINC000737209740 600384113 /nfs/dbraw/zinc/38/41/13/600384113.db2.gz FKSGDXMUQSOSQE-KRWDZBQOSA-N -1 0 327.380 3.595 20 0 EHADRM CCc1ccc(CN(C)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000737264661 600384142 /nfs/dbraw/zinc/38/41/42/600384142.db2.gz HUFLNHYBSJTVIC-UHFFFAOYSA-N -1 0 330.359 3.750 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1cc2nc(C)ccc2o1)c1ccccc1 ZINC000736851074 600384826 /nfs/dbraw/zinc/38/48/26/600384826.db2.gz DWNBICJKAJGQPK-OAHLLOKOSA-N -1 0 338.363 3.646 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)/C=C\c1ccccc1F)c1ccccc1 ZINC000736846971 600385224 /nfs/dbraw/zinc/38/52/24/600385224.db2.gz JSBKIIZVJYIQNW-MUSGIIIZSA-N -1 0 327.355 3.735 20 0 EHADRM CCc1[nH]c(C(=O)N(C)[C@@H](C)Cc2ccc(C)cc2)c(C)c1C(=O)[O-] ZINC000737237760 600389478 /nfs/dbraw/zinc/38/94/78/600389478.db2.gz OSBGJAISKQBGMW-ZDUSSCGKSA-N -1 0 342.439 3.595 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1cccc(Cl)c1Cl ZINC000237598709 600390627 /nfs/dbraw/zinc/39/06/27/600390627.db2.gz CFPLLNHVCZMZSS-QMMMGPOBSA-N -1 0 339.178 3.578 20 0 EHADRM Cc1ccc(C(C)(C)CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000738546692 600391082 /nfs/dbraw/zinc/39/10/82/600391082.db2.gz KANLWYNXNYUGAC-UHFFFAOYSA-N -1 0 344.386 3.932 20 0 EHADRM C[C@H]1Cc2ccccc2[C@H]1NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736824778 600393003 /nfs/dbraw/zinc/39/30/03/600393003.db2.gz IIGDPUVGMJJFJV-QFYYESIMSA-N -1 0 343.358 3.971 20 0 EHADRM Cc1cccc([C@H]2CCCCCN2C(=O)c2ccc(C(=O)[O-])cn2)c1 ZINC000190648811 600395507 /nfs/dbraw/zinc/39/55/07/600395507.db2.gz XTTYFJPHGZLMFS-GOSISDBHSA-N -1 0 338.407 3.846 20 0 EHADRM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NC(C)(C)CCC(=O)[O-] ZINC000237341329 600399248 /nfs/dbraw/zinc/39/92/48/600399248.db2.gz LTTRRJAZCVRFCF-NSHDSACASA-N -1 0 345.361 3.644 20 0 EHADRM C[C@@H](CC1CCCC1)C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC000736562781 600404157 /nfs/dbraw/zinc/40/41/57/600404157.db2.gz NBFSRCWBZUWAFH-JTQLQIEISA-N -1 0 347.440 3.991 20 0 EHADRM CCC[C@@H](C)N(C)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736965254 600404520 /nfs/dbraw/zinc/40/45/20/600404520.db2.gz NYYYFEKONMPYKL-SECBINFHSA-N -1 0 330.331 3.639 20 0 EHADRM CC[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC000736938600 600404562 /nfs/dbraw/zinc/40/45/62/600404562.db2.gz ILSVUSPHOMBMRF-SNVBAGLBSA-N -1 0 342.342 3.640 20 0 EHADRM Cc1nn(C)c(C)c1[C@@H]1CCCN1[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000738907775 600408721 /nfs/dbraw/zinc/40/87/21/600408721.db2.gz AXULGMFVNHIOSX-RDJZCZTQSA-N -1 0 347.846 3.653 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)n1C ZINC000362668468 600415351 /nfs/dbraw/zinc/41/53/51/600415351.db2.gz HSPOWADQGLSZNX-INIZCTEOSA-N -1 0 342.439 3.577 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NC(C)(C)CCC(=O)[O-] ZINC000237520630 600416164 /nfs/dbraw/zinc/41/61/64/600416164.db2.gz MVOBKRDOEMKNDI-SNVBAGLBSA-N -1 0 346.254 3.932 20 0 EHADRM Cc1cc(C(=O)NC(C)(C)CCC(=O)[O-])c(C)n1Cc1ccccc1 ZINC000237577463 600416449 /nfs/dbraw/zinc/41/64/49/600416449.db2.gz WIKQGQRNDXJTJM-UHFFFAOYSA-N -1 0 342.439 3.526 20 0 EHADRM O=C([O-])[C@H](N[C@H](c1ccco1)c1ccccc1)c1ccc(F)cc1 ZINC000739501393 600420042 /nfs/dbraw/zinc/42/00/42/600420042.db2.gz HBJOVEPVHNZGPF-ZWKOTPCHSA-N -1 0 325.339 3.924 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)[C@@H](C)Cc1ccccc1 ZINC000737872350 600426779 /nfs/dbraw/zinc/42/67/79/600426779.db2.gz OTFSRXDFXVZNBP-FPAJZGIOSA-N -1 0 340.375 3.577 20 0 EHADRM O=C([O-])[C@H](Nc1cccc(NC(=O)c2ccoc2)c1)c1ccccc1 ZINC000738511787 600432178 /nfs/dbraw/zinc/43/21/78/600432178.db2.gz ZIQIPPVOWBJICP-QGZVFWFLSA-N -1 0 336.347 3.770 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000740291308 600444651 /nfs/dbraw/zinc/44/46/51/600444651.db2.gz ZLGSVVHKPZEZPT-ZDUSSCGKSA-N -1 0 326.682 3.601 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NCC(C)(C)c1cccs1 ZINC000322358079 600450760 /nfs/dbraw/zinc/45/07/60/600450760.db2.gz VYZRPIRFLBIDRO-UHFFFAOYSA-N -1 0 332.425 3.854 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cc2ccc(Cl)cc2[nH]1)c1ccc(F)cc1 ZINC000740290439 600450953 /nfs/dbraw/zinc/45/09/53/600450953.db2.gz JETDNVOPPVEXRW-HNNXBMFYSA-N -1 0 347.729 3.943 20 0 EHADRM CCCOc1cccc(C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000737035101 600451862 /nfs/dbraw/zinc/45/18/62/600451862.db2.gz WBKGGTZOHLCZRR-INIZCTEOSA-N -1 0 332.327 3.597 20 0 EHADRM CCOc1ccc(CCC(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000737205586 600452853 /nfs/dbraw/zinc/45/28/53/600452853.db2.gz MPLLMWWDDWDZTA-GOSISDBHSA-N -1 0 346.354 3.526 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)Nc2cc(C(=O)[O-])ccc2C)s1 ZINC000321855069 600453951 /nfs/dbraw/zinc/45/39/51/600453951.db2.gz LDWIRJVYWOQTGN-LLVKDONJSA-N -1 0 332.425 3.816 20 0 EHADRM CC(C)(C)c1nc(C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)cs1 ZINC000736302693 600454626 /nfs/dbraw/zinc/45/46/26/600454626.db2.gz CGGBUOWSHYYSBK-GFCCVEGCSA-N -1 0 337.372 3.562 20 0 EHADRM Cc1ccc2c(CC(=O)O[C@H](C(=O)[O-])c3ccc(F)cc3)c[nH]c2c1 ZINC000738664496 600455040 /nfs/dbraw/zinc/45/50/40/600455040.db2.gz FOQUHKNJDTZMPE-SFHVURJKSA-N -1 0 341.338 3.527 20 0 EHADRM CC[C@H]1CCCC[C@H]1NC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736941390 600457000 /nfs/dbraw/zinc/45/70/00/600457000.db2.gz LNTFECZKKYBUFO-GOEBONIOSA-N -1 0 333.432 3.587 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cc(Cl)nc(Cl)c1)c1ccc(F)cc1 ZINC000740294363 600457147 /nfs/dbraw/zinc/45/71/47/600457147.db2.gz XZWNHBIEGZZKQK-GFCCVEGCSA-N -1 0 344.125 3.510 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)NCCC2CCCCC2)cc1 ZINC000740017495 600457483 /nfs/dbraw/zinc/45/74/83/600457483.db2.gz IHGCFPFHFMLKBI-UHFFFAOYSA-N -1 0 333.432 3.589 20 0 EHADRM CC[C@H](NC(=O)NCCc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000736914295 600463548 /nfs/dbraw/zinc/46/35/48/600463548.db2.gz OLYAHJGHVJHLNA-KRWDZBQOSA-N -1 0 341.411 3.770 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000736627550 600467743 /nfs/dbraw/zinc/46/77/43/600467743.db2.gz RTKGFODCMILIMP-NSHDSACASA-N -1 0 334.318 3.585 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)[C@@H]1CSc3ccccc31)CCC2 ZINC000320715220 600474761 /nfs/dbraw/zinc/47/47/61/600474761.db2.gz BPNJPNMBAPZYRS-LLVKDONJSA-N -1 0 345.445 3.763 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)CCc2ccc(Cl)c(Cl)c2)o1 ZINC000347466401 600477615 /nfs/dbraw/zinc/47/76/15/600477615.db2.gz PTFXLAMOZBPHNO-UHFFFAOYSA-N -1 0 342.178 3.534 20 0 EHADRM CC(C)[C@@H](SCc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000236782289 600477961 /nfs/dbraw/zinc/47/79/61/600477961.db2.gz VGKZPZWSASTPRB-MRXNPFEDSA-N -1 0 347.436 3.552 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000736904390 600478937 /nfs/dbraw/zinc/47/89/37/600478937.db2.gz UHNBHTHOQWKMSV-MAUKXSAKSA-N -1 0 343.398 3.727 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)s1 ZINC000738269511 600478982 /nfs/dbraw/zinc/47/89/82/600478982.db2.gz OGWIQQQBYGGCEX-LLVKDONJSA-N -1 0 347.440 3.923 20 0 EHADRM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000237392358 600479193 /nfs/dbraw/zinc/47/91/93/600479193.db2.gz PMEJJMWTRVXGRD-QMTHXVAHSA-N -1 0 325.792 3.572 20 0 EHADRM Cc1cccc(C2(C(=O)NCc3ccc(C(=O)[O-])o3)CCCCC2)c1 ZINC000561916721 600479234 /nfs/dbraw/zinc/47/92/34/600479234.db2.gz VLXIFIUCXFRNJL-UHFFFAOYSA-N -1 0 341.407 3.805 20 0 EHADRM COc1cc(CC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)ccc1C ZINC000237313898 600480808 /nfs/dbraw/zinc/48/08/08/600480808.db2.gz DFGANUJWPOZSBS-UHFFFAOYSA-N -1 0 333.771 3.536 20 0 EHADRM CC[C@H](c1ccncc1)N(C)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000736929383 600481178 /nfs/dbraw/zinc/48/11/78/600481178.db2.gz JKHHODOKRJMFTA-MRXNPFEDSA-N -1 0 327.384 3.703 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N2CCC3(CCCC3)CC2)cc1 ZINC000325365870 600482484 /nfs/dbraw/zinc/48/24/84/600482484.db2.gz ARVJSPNOVAXSGC-UHFFFAOYSA-N -1 0 330.428 3.892 20 0 EHADRM Cc1ccc([C@@H](C)CNC(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000738550002 600483991 /nfs/dbraw/zinc/48/39/91/600483991.db2.gz AEYXDBQEIUGUTF-AWEZNQCLSA-N -1 0 341.411 3.688 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(Oc3cccnc3Cl)c12 ZINC000738363865 600488763 /nfs/dbraw/zinc/48/87/63/600488763.db2.gz OTHZVCLQMIZYTM-UHFFFAOYSA-N -1 0 335.772 3.847 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C[C@H](C)C(=O)c1ccccc1 ZINC000738525665 600489319 /nfs/dbraw/zinc/48/93/19/600489319.db2.gz MZNCKZLVKSBYRR-ZDUSSCGKSA-N -1 0 325.364 3.541 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)N[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000739574254 600490363 /nfs/dbraw/zinc/49/03/63/600490363.db2.gz ZLSJTXRWPBOKDQ-MSOLQXFVSA-N -1 0 344.455 3.814 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])s1)c1nc2ccccc2s1 ZINC000736653164 600492192 /nfs/dbraw/zinc/49/21/92/600492192.db2.gz TZONHKXGFAAHHG-MRVPVSSYSA-N -1 0 332.406 3.547 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2ccccc2Nc2ccccc2)o1 ZINC000569156302 600497171 /nfs/dbraw/zinc/49/71/71/600497171.db2.gz WSKDNQUKWSOEPS-UHFFFAOYSA-N -1 0 336.347 3.651 20 0 EHADRM CCCCCN(C(=O)NCCc1ccc(NC(=O)[O-])cc1)C(C)C ZINC000736989877 600499261 /nfs/dbraw/zinc/49/92/61/600499261.db2.gz CBFXFQKZZDJKKC-UHFFFAOYSA-N -1 0 335.448 3.929 20 0 EHADRM CC(C)[C@H]1CCCN(C(=O)NCCc2ccc(NC(=O)[O-])cc2)CC1 ZINC000736395922 600499545 /nfs/dbraw/zinc/49/95/45/600499545.db2.gz RSKMTWUYFGRNRS-INIZCTEOSA-N -1 0 347.459 3.787 20 0 EHADRM O=C([O-])c1cccc(NC(=O)NCc2ccccc2OC2CCC2)c1 ZINC000739448189 600502381 /nfs/dbraw/zinc/50/23/81/600502381.db2.gz QPROEOUHTZKJTJ-UHFFFAOYSA-N -1 0 340.379 3.638 20 0 EHADRM CC(C)N(Cc1ccccn1)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000736470982 600508034 /nfs/dbraw/zinc/50/80/34/600508034.db2.gz DHXDSCWVOOXSDH-UHFFFAOYSA-N -1 0 347.802 3.876 20 0 EHADRM Cc1ccc(OCCNC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000738648735 600508618 /nfs/dbraw/zinc/50/86/18/600508618.db2.gz MHFXKMZZLNKVLZ-UHFFFAOYSA-N -1 0 348.786 3.547 20 0 EHADRM C[C@H](c1ccncc1)N(C)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000383992628 600510832 /nfs/dbraw/zinc/51/08/32/600510832.db2.gz VAGJKJZSEVULQV-SNVBAGLBSA-N -1 0 333.775 3.658 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@@H]2CCCc3occc32)cc1Cl ZINC000739464591 600511243 /nfs/dbraw/zinc/51/12/43/600511243.db2.gz GOBWNKLNGYUHNT-CYBMUJFWSA-N -1 0 334.759 3.830 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCC[C@H]2c2ccncc2)cc1Cl ZINC000740145590 600511260 /nfs/dbraw/zinc/51/12/60/600511260.db2.gz ALWZKUVPUQQWRS-HNNXBMFYSA-N -1 0 345.786 3.802 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000325657712 600513505 /nfs/dbraw/zinc/51/35/05/600513505.db2.gz MKVPFRVBWBZMTH-SNVBAGLBSA-N -1 0 348.786 3.930 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1ccc(SC(F)(F)F)cc1)C(=O)[O-] ZINC000314241847 600520094 /nfs/dbraw/zinc/52/00/94/600520094.db2.gz FOPSPSNKOMMGPX-SNVBAGLBSA-N -1 0 335.347 3.528 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)ccc1C(C)C ZINC000738465201 600521905 /nfs/dbraw/zinc/52/19/05/600521905.db2.gz SRSDDENGSARKQW-CJNGLKHVSA-N -1 0 335.444 3.501 20 0 EHADRM CCN(C(=O)c1ccccc1OC(F)F)c1ccccc1C(=O)[O-] ZINC000737059087 600524471 /nfs/dbraw/zinc/52/44/71/600524471.db2.gz HCQIZMILRPWOOG-UHFFFAOYSA-N -1 0 335.306 3.653 20 0 EHADRM CCN(C(=O)CCc1cc(F)ccc1F)c1ccccc1C(=O)[O-] ZINC000737052725 600532126 /nfs/dbraw/zinc/53/21/26/600532126.db2.gz HJDHQJWHJGPEGX-UHFFFAOYSA-N -1 0 333.334 3.649 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000736927779 600533473 /nfs/dbraw/zinc/53/34/73/600533473.db2.gz FSYZSCOMOYZEOR-GDBMZVCRSA-N -1 0 335.444 3.583 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)c1 ZINC000740213953 600538931 /nfs/dbraw/zinc/53/89/31/600538931.db2.gz ADAOSGTWSKNCIA-INIZCTEOSA-N -1 0 331.318 3.640 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000736928395 600551012 /nfs/dbraw/zinc/55/10/12/600551012.db2.gz IBJMICXIJBXNEW-LBPRGKRZSA-N -1 0 337.441 3.611 20 0 EHADRM Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)NCCC(=O)[O-] ZINC000263501124 600551900 /nfs/dbraw/zinc/55/19/00/600551900.db2.gz SZAVVFNRBASQBK-CQSZACIVSA-N -1 0 342.395 3.731 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000736928431 600552981 /nfs/dbraw/zinc/55/29/81/600552981.db2.gz IXHVJAATJJCFJK-CQSZACIVSA-N -1 0 325.792 3.715 20 0 EHADRM O=C([O-])c1ccc(OC(=O)C2(c3cccc(F)c3)CC2)c(Cl)c1 ZINC000740160256 600569734 /nfs/dbraw/zinc/56/97/34/600569734.db2.gz IINGXLJSUQAVOA-UHFFFAOYSA-N -1 0 334.730 3.815 20 0 EHADRM CCC(CC)c1nnc(NC(=O)c2ccccc2NC(=O)[O-])s1 ZINC000736903979 600572981 /nfs/dbraw/zinc/57/29/81/600572981.db2.gz DXOCBURQZYKEPV-UHFFFAOYSA-N -1 0 334.401 3.784 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000740056319 600573548 /nfs/dbraw/zinc/57/35/48/600573548.db2.gz LKUFWRJMVMCFKW-UHFFFAOYSA-N -1 0 340.364 3.547 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N[C@H]1CCOc2c(Cl)cccc21 ZINC000740045276 600573601 /nfs/dbraw/zinc/57/36/01/600573601.db2.gz HPHKDSYSBWOECB-AWEZNQCLSA-N -1 0 346.770 3.684 20 0 EHADRM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1cccc(Oc2ccnc3ccccc32)c1 ZINC000739553102 600579711 /nfs/dbraw/zinc/57/97/11/600579711.db2.gz MJPQYWOAUXCVJR-HOTGVXAUSA-N -1 0 348.358 3.686 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)C(C)C ZINC000738787275 600579880 /nfs/dbraw/zinc/57/98/80/600579880.db2.gz VYIOBFHALUPICS-GOSISDBHSA-N -1 0 340.423 3.534 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)COc1cccc(Cl)c1C ZINC000120257430 600582509 /nfs/dbraw/zinc/58/25/09/600582509.db2.gz NROZHHJCUAGNLD-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)Oc2ccccc2CC(=O)[O-])cc1 ZINC000736890848 600586760 /nfs/dbraw/zinc/58/67/60/600586760.db2.gz IQTJUMBHZMIYIX-ZDUSSCGKSA-N -1 0 348.420 3.595 20 0 EHADRM COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)S[C@@H](C)CC(=O)[O-] ZINC000737887487 600587298 /nfs/dbraw/zinc/58/72/98/600587298.db2.gz VLNHUQFGISUTDU-UWVGGRQHSA-N -1 0 345.848 3.580 20 0 EHADRM CN(C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737312536 600589871 /nfs/dbraw/zinc/58/98/71/600589871.db2.gz DMZIANHAMCBYML-MGPQQGTHSA-N -1 0 343.345 3.639 20 0 EHADRM CN(C(=O)COc1ccc2ccccc2c1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737323977 600596383 /nfs/dbraw/zinc/59/63/83/600596383.db2.gz ZWOQIZWEBKFWHP-FQEVSTJZSA-N -1 0 349.386 3.503 20 0 EHADRM C[C@@H](SC[C@@H](C)C(=O)[O-])C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000736613553 600599642 /nfs/dbraw/zinc/59/96/42/600599642.db2.gz AMILEAAJSXMGIX-HZSPNIEDSA-N -1 0 345.464 3.859 20 0 EHADRM C/C(=C/C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-])C1CC1 ZINC000236651205 600603096 /nfs/dbraw/zinc/60/30/96/600603096.db2.gz PWQBNYQNBHZUOU-CPPNXCSESA-N -1 0 337.419 3.556 20 0 EHADRM C/C(=C\C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-])C1CC1 ZINC000736121203 600604053 /nfs/dbraw/zinc/60/40/53/600604053.db2.gz PWQBNYQNBHZUOU-NRJHKNTJSA-N -1 0 337.419 3.556 20 0 EHADRM CCC/C=C\C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000736972777 600604086 /nfs/dbraw/zinc/60/40/86/600604086.db2.gz GLIMKVZBBQQLFB-ASMLLPBJSA-N -1 0 325.408 3.556 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc(-c2ccc(F)cc2)o1)c1ccccc1 ZINC000156283936 600606040 /nfs/dbraw/zinc/60/60/40/600606040.db2.gz HDTUXGSDGLWRAT-UHFFFAOYSA-N -1 0 339.322 3.817 20 0 EHADRM O=C([O-])c1c(NC(=O)C[C@@H]2CCc3ccccc32)sc2c1CCC2 ZINC000739223198 600608286 /nfs/dbraw/zinc/60/82/86/600608286.db2.gz REVNQPCTVORUHG-LBPRGKRZSA-N -1 0 341.432 3.994 20 0 EHADRM C[C@](NC(=O)c1ccc(-c2ccc(F)cc2)cc1F)(C(=O)[O-])C1CC1 ZINC000237457427 600609663 /nfs/dbraw/zinc/60/96/63/600609663.db2.gz ZLYMHFQAKLACQF-LJQANCHMSA-N -1 0 345.345 3.615 20 0 EHADRM CCOc1cc(C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)ccc1C ZINC000737191794 600615974 /nfs/dbraw/zinc/61/59/74/600615974.db2.gz AKFYATRGNIIMEJ-UHFFFAOYSA-N -1 0 345.420 3.894 20 0 EHADRM CC(C)[C@@H](CC1CCCCC1)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736352282 600617781 /nfs/dbraw/zinc/61/77/81/600617781.db2.gz JFGULLRZTOZZMP-IAGOWNOFSA-N -1 0 335.488 3.942 20 0 EHADRM C[C@H](Oc1ccccc1F)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000322683221 600619460 /nfs/dbraw/zinc/61/94/60/600619460.db2.gz HKYAUJSEQRGPOC-VIFPVBQESA-N -1 0 337.734 3.583 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)Cc2cc3ccccc3o2)c1 ZINC000739342610 600620464 /nfs/dbraw/zinc/62/04/64/600620464.db2.gz ZHLQGZVLWUVJFO-UHFFFAOYSA-N -1 0 329.739 3.966 20 0 EHADRM CN(C)c1ccc(CCC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000392533430 600620977 /nfs/dbraw/zinc/62/09/77/600620977.db2.gz FVZGIPVXUHMXJF-UHFFFAOYSA-N -1 0 346.814 3.676 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)Cc2c[nH]c3ccc(F)cc23)c1 ZINC000178249396 600622984 /nfs/dbraw/zinc/62/29/84/600622984.db2.gz NSTDTQNGKUJSGZ-UHFFFAOYSA-N -1 0 346.745 3.840 20 0 EHADRM CC(C)(C)CCCNC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000736249193 600623534 /nfs/dbraw/zinc/62/35/34/600623534.db2.gz RTMAWIACIWRKNW-UHFFFAOYSA-N -1 0 347.459 3.933 20 0 EHADRM CC[C@H]1CCCCCN1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000736942748 600625442 /nfs/dbraw/zinc/62/54/42/600625442.db2.gz YLKDQYINSHDDRB-HNNXBMFYSA-N -1 0 334.416 3.727 20 0 EHADRM CCOc1ccc(CC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000322359597 600625535 /nfs/dbraw/zinc/62/55/35/600625535.db2.gz BBIIFZHKHXRLMG-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM CC[C@](C)(NC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1nccs1 ZINC000736860679 600626350 /nfs/dbraw/zinc/62/63/50/600626350.db2.gz BHVYAWFPTDDNDT-KRWDZBQOSA-N -1 0 347.440 3.607 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)CC1CCC(c2ccccc2)CC1)C(=O)[O-] ZINC000736241757 600644296 /nfs/dbraw/zinc/64/42/96/600644296.db2.gz JYLNRIJHSJJJLB-PVARCSIZSA-N -1 0 331.456 3.966 20 0 EHADRM CC(C)c1ccc([C@H]2C[C@H]2C(=O)Nc2ncc(C(=O)[O-])s2)cc1 ZINC000736511782 600659712 /nfs/dbraw/zinc/65/97/12/600659712.db2.gz DDKGUOOIZFEZPU-CHWSQXEVSA-N -1 0 330.409 3.707 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000236806522 600661073 /nfs/dbraw/zinc/66/10/73/600661073.db2.gz LQRUVDBVNZMFHP-OTWHNJEPSA-N -1 0 337.419 3.856 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000236803888 600661174 /nfs/dbraw/zinc/66/11/74/600661174.db2.gz LQRUVDBVNZMFHP-FHWLQOOXSA-N -1 0 337.419 3.856 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N(C2CC2)[C@H]2CCCc3ccccc32)C1 ZINC000245698941 600664000 /nfs/dbraw/zinc/66/40/00/600664000.db2.gz LKLZKVFCUHQWNY-FCEWJHQRSA-N -1 0 341.451 3.946 20 0 EHADRM CN(CCc1cccc2ccccc21)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000179986438 600664247 /nfs/dbraw/zinc/66/42/47/600664247.db2.gz SJFUKLFIVGHPAZ-ZWKOTPCHSA-N -1 0 339.435 3.732 20 0 EHADRM COc1cccc(CCCOC(=O)c2ccccc2NC(=O)[O-])c1 ZINC000832548882 600664949 /nfs/dbraw/zinc/66/49/49/600664949.db2.gz CLYXGTYOJDVLCI-UHFFFAOYSA-N -1 0 329.352 3.575 20 0 EHADRM C/C(=C/C(=O)O[C@@H](C(=O)[O-])c1ccccc1F)c1cccc(F)c1 ZINC000825723813 600666502 /nfs/dbraw/zinc/66/65/02/600666502.db2.gz BCNWAEZXABAJJM-FPISAVPCSA-N -1 0 332.302 3.737 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000828900735 600667667 /nfs/dbraw/zinc/66/76/67/600667667.db2.gz KYHRPOIYBQIYFM-RHSMWYFYSA-N -1 0 330.355 3.764 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N[C@H]2C[C@H]2c2c(F)cccc2Cl)c1 ZINC000739480362 600675090 /nfs/dbraw/zinc/67/50/90/600675090.db2.gz OTOSVSYRZAKMNE-RISCZKNCSA-N -1 0 348.761 3.855 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)c1csc(-c2cccs2)n1 ZINC000739896620 600676818 /nfs/dbraw/zinc/67/68/18/600676818.db2.gz VHWCAAKSPPWQRX-UHFFFAOYSA-N -1 0 345.401 3.718 20 0 EHADRM CCOc1ccc(OCCNc2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC000737202698 600679866 /nfs/dbraw/zinc/67/98/66/600679866.db2.gz BSDHMJFNYOBEMD-UHFFFAOYSA-N -1 0 343.423 3.938 20 0 EHADRM O=C([O-])[C@@H](OC(=O)CC/C=C/c1ccccc1)c1ccccc1F ZINC000833097476 600680109 /nfs/dbraw/zinc/68/01/09/600680109.db2.gz NTGRPTGEYZKHSS-MUFCHLESSA-N -1 0 328.339 3.988 20 0 EHADRM CCCCc1nc(CNc2ccc(C(=O)[O-])c(C(=O)OC)c2)cs1 ZINC000737002892 600683421 /nfs/dbraw/zinc/68/34/21/600683421.db2.gz CHHMBLOSBOLDIK-UHFFFAOYSA-N -1 0 348.424 3.583 20 0 EHADRM Cc1ccc(C(C)C)cc1OS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000738553716 600689215 /nfs/dbraw/zinc/68/92/15/600689215.db2.gz YWBQARFWWHLSDV-UHFFFAOYSA-N -1 0 340.422 3.646 20 0 EHADRM CN(C(=O)C1CC=CC1)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000737313059 600689399 /nfs/dbraw/zinc/68/93/99/600689399.db2.gz HMNHGCDUKRVZAL-CYBMUJFWSA-N -1 0 328.195 3.544 20 0 EHADRM CCCN(C(=O)c1cccc(NC(=O)[O-])c1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000737008016 600692680 /nfs/dbraw/zinc/69/26/80/600692680.db2.gz AQINRAOKMQQTMH-JKSUJKDBSA-N -1 0 348.443 3.832 20 0 EHADRM Cc1ccc(Br)cc1C(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC000832910501 600696996 /nfs/dbraw/zinc/69/69/96/600696996.db2.gz NTNKYXYDESZBCU-CQSZACIVSA-N -1 0 349.180 3.740 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000740045679 600700733 /nfs/dbraw/zinc/70/07/33/600700733.db2.gz JKJVQYMKJPZMKZ-HZMBPMFUSA-N -1 0 348.761 3.855 20 0 EHADRM C[C@@H](C(=O)OCc1cc(C(=O)[O-])co1)c1ccccc1C(F)(F)F ZINC000826064374 600701021 /nfs/dbraw/zinc/70/10/21/600701021.db2.gz JIGMXVGNWRPRRO-SECBINFHSA-N -1 0 342.269 3.844 20 0 EHADRM Cc1ccc(CN(C(=O)c2ccc(C(=O)[O-])s2)C2CC2)cc1C ZINC000237719618 600701150 /nfs/dbraw/zinc/70/11/50/600701150.db2.gz QSMANBCJYCFYKO-UHFFFAOYSA-N -1 0 329.421 3.868 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)[C@H]2C[C@]23CCc2ccccc23)cc1 ZINC000830508585 600704393 /nfs/dbraw/zinc/70/43/93/600704393.db2.gz XANPKAVJNKKFDX-XLIONFOSSA-N -1 0 336.391 3.643 20 0 EHADRM O=C([O-])[C@@H](OC(=O)[C@@H]1SCCc2ccccc21)c1ccc(F)cc1 ZINC000833170795 600712904 /nfs/dbraw/zinc/71/29/04/600712904.db2.gz SDUQCNQIAIYAMX-JKSUJKDBSA-N -1 0 346.379 3.525 20 0 EHADRM Cc1c(Br)cccc1C(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC000832849295 600715735 /nfs/dbraw/zinc/71/57/35/600715735.db2.gz BPPAJLDSHBLZGV-AWEZNQCLSA-N -1 0 349.180 3.740 20 0 EHADRM O=C(/C=C\C1CC1)OCc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833093084 600719571 /nfs/dbraw/zinc/71/95/71/600719571.db2.gz TVSLBDFRZREUPJ-BAQGIRSFSA-N -1 0 329.377 3.518 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)COC(=O)CCCC1CCCC1 ZINC000832915054 600724002 /nfs/dbraw/zinc/72/40/02/600724002.db2.gz CDUWDBWRMHLWIR-UHFFFAOYSA-N -1 0 347.411 3.535 20 0 EHADRM O=C([O-])CCc1nc(CSCCCc2ccc(Cl)cc2)no1 ZINC000739776050 600728805 /nfs/dbraw/zinc/72/88/05/600728805.db2.gz YLXUROVDZBZXHP-UHFFFAOYSA-N -1 0 340.832 3.606 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(NCCCC(F)(F)F)c12 ZINC000568275282 600730000 /nfs/dbraw/zinc/73/00/00/600730000.db2.gz VBJRRTXIVSMUNE-UHFFFAOYSA-N -1 0 333.335 3.761 20 0 EHADRM O=C([O-])c1sc2ccccc2c1COC(=O)C1CCSCC1 ZINC000740281049 600732379 /nfs/dbraw/zinc/73/23/79/600732379.db2.gz OGOSMJYDXVNLEN-UHFFFAOYSA-N -1 0 336.434 3.786 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cccc(F)c1Cl)c1ccc(F)cc1 ZINC000833351792 600734268 /nfs/dbraw/zinc/73/42/68/600734268.db2.gz UMSVJTAPKTUPEK-CYBMUJFWSA-N -1 0 326.682 3.601 20 0 EHADRM CCO[C@@H]1CCCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000652394857 600742649 /nfs/dbraw/zinc/74/26/49/600742649.db2.gz KJBFMTUVMDFYLI-BXUZGUMPSA-N -1 0 332.227 3.620 20 0 EHADRM CC(C)[C@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccccc1Cl ZINC000263152645 600751708 /nfs/dbraw/zinc/75/17/08/600751708.db2.gz BFHZGHZSUYHZST-WFASDCNBSA-N -1 0 338.835 3.543 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000236738027 600772037 /nfs/dbraw/zinc/77/20/37/600772037.db2.gz RZRJPSQQSLMKFQ-UHFFFAOYSA-N -1 0 345.420 3.966 20 0 EHADRM C[C@@H]1CCC[C@H](C)N(C(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000828234348 600773316 /nfs/dbraw/zinc/77/33/16/600773316.db2.gz XZGIJWXAQTZSGD-KGLIPLIRSA-N -1 0 333.432 3.539 20 0 EHADRM Cc1ccc2cccc(C(=O)Nc3ccc(CN(C)C(=O)[O-])cc3)c2n1 ZINC000738675931 600773880 /nfs/dbraw/zinc/77/38/80/600773880.db2.gz WKZUMSJZVQFSBO-UHFFFAOYSA-N -1 0 349.390 3.905 20 0 EHADRM CCC(CC)(C(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000262595416 600785327 /nfs/dbraw/zinc/78/53/27/600785327.db2.gz WMNDNEUHSHFITK-UHFFFAOYSA-N -1 0 341.407 3.847 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)[C@@H]2C[C@]23CCCc2ccccc23)cc1 ZINC000833291161 600785820 /nfs/dbraw/zinc/78/58/20/600785820.db2.gz YWTAREMRLAJEIH-PXNSSMCTSA-N -1 0 337.375 3.976 20 0 EHADRM CCC/C(C)=C/C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000829209213 600797235 /nfs/dbraw/zinc/79/72/35/600797235.db2.gz SKJIFXXUFPEDPY-ZRDIBKRKSA-N -1 0 325.355 3.515 20 0 EHADRM CCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)s1 ZINC000776676280 600799629 /nfs/dbraw/zinc/79/96/29/600799629.db2.gz DRNBDPKNCFULMZ-CYBMUJFWSA-N -1 0 337.828 3.910 20 0 EHADRM Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)cc1F ZINC000776674471 600800508 /nfs/dbraw/zinc/80/05/08/600800508.db2.gz SJKNZECYXNUNRB-OAHLLOKOSA-N -1 0 335.762 3.733 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)[C@@H]1CCc2ccccc21)c1cccc(Cl)c1 ZINC000776673593 600801758 /nfs/dbraw/zinc/80/17/58/600801758.db2.gz NPJGTHKKRIGOEJ-IAGOWNOFSA-N -1 0 343.810 3.702 20 0 EHADRM CCc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000776676924 600804230 /nfs/dbraw/zinc/80/42/30/600804230.db2.gz KDTJTQYENYBMEF-INIZCTEOSA-N -1 0 331.799 3.848 20 0 EHADRM CC/C(=C/C(=O)Nc1ncc(C(=O)[O-])s1)c1cccc(Cl)c1 ZINC000828550339 600807191 /nfs/dbraw/zinc/80/71/91/600807191.db2.gz UKLJXVFRUJBALV-CLFYSBASSA-N -1 0 336.800 3.927 20 0 EHADRM O=C([O-])Nc1ccc(CCNc2cncc(Br)c2)cc1 ZINC000833286262 600815868 /nfs/dbraw/zinc/81/58/68/600815868.db2.gz OZIOBVUBPXBUKW-UHFFFAOYSA-N -1 0 336.189 3.589 20 0 EHADRM Cc1cc(NC(=O)c2c(Cl)n(C)nc2C(C)C)sc1C(=O)[O-] ZINC000738242872 600826350 /nfs/dbraw/zinc/82/63/50/600826350.db2.gz XIICMXNZAVRRSC-UHFFFAOYSA-N -1 0 341.820 3.517 20 0 EHADRM Cc1ncsc1C=C(Cl)c1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000742431083 600827935 /nfs/dbraw/zinc/82/79/35/600827935.db2.gz HDJODMFFCOHIGZ-YHYXMXQVSA-N -1 0 347.783 3.535 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)c1 ZINC000238153170 600829260 /nfs/dbraw/zinc/82/92/60/600829260.db2.gz ACARJNGYGBOHFB-MNOVXSKESA-N -1 0 335.281 3.544 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)c(C(=O)[O-])c1 ZINC000543446154 600833377 /nfs/dbraw/zinc/83/33/77/600833377.db2.gz CPARFAJPQQYWDC-YPMHNXCESA-N -1 0 331.318 3.714 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)C[C@@H](C)c1ccccc1C(F)(F)F ZINC000237028603 600834388 /nfs/dbraw/zinc/83/43/88/600834388.db2.gz ZGNYMRQSOVAADW-LLVKDONJSA-N -1 0 331.334 3.522 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)C2(Cc3cccc(Cl)c3)CCCC2)C1 ZINC000128555664 600837865 /nfs/dbraw/zinc/83/78/65/600837865.db2.gz RYLRRRCLIQETEU-OAHLLOKOSA-N -1 0 349.858 3.766 20 0 EHADRM CC(C)C[C@H]1CCN(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C1 ZINC000307830643 600844646 /nfs/dbraw/zinc/84/46/46/600844646.db2.gz PXVJHQSYYUKDKF-CQSZACIVSA-N -1 0 332.444 3.949 20 0 EHADRM Cc1cc(C)cc(C2(C(=O)N3C[C@H](CC(=O)[O-])c4ccccc43)CC2)c1 ZINC000738363075 600846662 /nfs/dbraw/zinc/84/66/62/600846662.db2.gz BHBWWNBAKQXHPD-INIZCTEOSA-N -1 0 349.430 3.940 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1SCCc2sccc21 ZINC000120258890 600847514 /nfs/dbraw/zinc/84/75/14/600847514.db2.gz WYLXFVWGSQKCIM-CQSZACIVSA-N -1 0 333.434 3.724 20 0 EHADRM Cc1c(Br)cccc1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000088440198 600848092 /nfs/dbraw/zinc/84/80/92/600848092.db2.gz VNPCJKULLZNCIL-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM O=C([O-])C1(NC(=O)c2ccc(OC3CCC3)cc2)CCCCCC1 ZINC000833128812 600855033 /nfs/dbraw/zinc/85/50/33/600855033.db2.gz NLYOSMNTWSQDRE-UHFFFAOYSA-N -1 0 331.412 3.525 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000736626752 600856871 /nfs/dbraw/zinc/85/68/71/600856871.db2.gz MWCJAGSALCHSSI-DZGCQCFKSA-N -1 0 341.382 3.609 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)c2ccc(-n3cccc3)cc2)c2ccccc21 ZINC000739645255 600858445 /nfs/dbraw/zinc/85/84/45/600858445.db2.gz AECRTWCUQMTUBM-INIZCTEOSA-N -1 0 346.386 3.696 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21 ZINC000327091937 600861896 /nfs/dbraw/zinc/86/18/96/600861896.db2.gz BEWNSCHABZOSHR-IIFATDLDSA-N -1 0 339.435 3.808 20 0 EHADRM CCC[C@H](C)C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000736964490 600869384 /nfs/dbraw/zinc/86/93/84/600869384.db2.gz GLGYKTPVYHPESQ-ZETCQYMHSA-N -1 0 332.169 3.661 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N1C[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000736775858 600870144 /nfs/dbraw/zinc/87/01/44/600870144.db2.gz SYJRGZGEGQXSSB-HZSPNIEDSA-N -1 0 335.469 3.903 20 0 EHADRM Cc1cc(F)cc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)c1 ZINC000237660790 600876071 /nfs/dbraw/zinc/87/60/71/600876071.db2.gz QKLYRZWDKNQGHV-UHFFFAOYSA-N -1 0 333.384 3.704 20 0 EHADRM CCN(CC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1ccccc1 ZINC000737069801 600883517 /nfs/dbraw/zinc/88/35/17/600883517.db2.gz ULVXRWLCJGMSPF-UHFFFAOYSA-N -1 0 340.423 3.514 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)cc1 ZINC000263190144 600883561 /nfs/dbraw/zinc/88/35/61/600883561.db2.gz XZTYUMHYNUTVPC-IRXDYDNUSA-N -1 0 341.382 3.930 20 0 EHADRM CC(C)Oc1ccc([C@H](C)NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000179980492 600885572 /nfs/dbraw/zinc/88/55/72/600885572.db2.gz RXYRCFQIQUMYJF-IMJJTQAJSA-N -1 0 333.428 3.542 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NCc2c(Cl)cccc2Cl)C1 ZINC000833183647 600885785 /nfs/dbraw/zinc/88/57/85/600885785.db2.gz HAWMTKHORUBBES-VHSXEESVSA-N -1 0 330.211 3.501 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)NCc3ccc(C(=O)[O-])o3)o2)cc1 ZINC000558137721 600886138 /nfs/dbraw/zinc/88/61/38/600886138.db2.gz DTIQOUGGMUXTIJ-UHFFFAOYSA-N -1 0 339.347 3.730 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000827428033 600887871 /nfs/dbraw/zinc/88/78/71/600887871.db2.gz QKWGDCUQGYHFBK-CYBMUJFWSA-N -1 0 344.386 3.801 20 0 EHADRM CC(C)Oc1ccccc1[C@H](C)NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000326495105 600892740 /nfs/dbraw/zinc/89/27/40/600892740.db2.gz GVCXWSCSGLYWMT-RRFJBIMHSA-N -1 0 333.428 3.542 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N[C@@H](c2ccccc2)C2CCCC2)C1 ZINC000245651450 600898861 /nfs/dbraw/zinc/89/88/61/600898861.db2.gz COXCXHYVCYMNMY-KURKYZTESA-N -1 0 329.440 3.925 20 0 EHADRM Cc1cc2occ(CC(=O)Nc3ccc(C(=O)[O-])s3)c2cc1C ZINC000832905582 600902244 /nfs/dbraw/zinc/90/22/44/600902244.db2.gz BVBCNPZJCMEIBD-UHFFFAOYSA-N -1 0 329.377 3.991 20 0 EHADRM C[C@@H](CC(=O)NCCCCC(=O)[O-])c1ccccc1C(F)(F)F ZINC000237421128 600903831 /nfs/dbraw/zinc/90/38/31/600903831.db2.gz SZYYFOFFMGXFOR-NSHDSACASA-N -1 0 331.334 3.570 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)c2cc(Cl)c(Cl)[nH]2)c2ccccc21 ZINC000317172194 600909114 /nfs/dbraw/zinc/90/91/14/600909114.db2.gz WISIFHQLAZRMOF-MRVPVSSYSA-N -1 0 339.178 3.540 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC000262512770 600909836 /nfs/dbraw/zinc/90/98/36/600909836.db2.gz BUUUEQXDBHTVPD-BSDSXHPESA-N -1 0 329.440 3.720 20 0 EHADRM Cc1[nH]c(C(=O)N(Cc2ccoc2)C2CCCCC2)c(C)c1C(=O)[O-] ZINC000738158791 600914705 /nfs/dbraw/zinc/91/47/05/600914705.db2.gz HOKOIFBSQDMYKS-UHFFFAOYSA-N -1 0 344.411 3.898 20 0 EHADRM Cc1cccc(CN(CC(C)C)C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000832968417 600915518 /nfs/dbraw/zinc/91/55/18/600915518.db2.gz WEUBTBFAMGWWJR-QZTJIDSGSA-N -1 0 331.456 3.871 20 0 EHADRM Cc1c(Br)cccc1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000180111073 600924023 /nfs/dbraw/zinc/92/40/23/600924023.db2.gz ZHVCVNCYIYLKPF-MNOVXSKESA-N -1 0 340.217 3.587 20 0 EHADRM CCC(CC)(NC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000342573811 600928149 /nfs/dbraw/zinc/92/81/49/600928149.db2.gz SSGQQOPKOKDIRM-QWHCGFSZSA-N -1 0 344.238 3.857 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccc(N3CCCCCC3)cc2)C1 ZINC000328087954 600928255 /nfs/dbraw/zinc/92/82/55/600928255.db2.gz YJGDKIZEFOLAPO-HOTGVXAUSA-N -1 0 344.455 3.897 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccc(N3CCCCCC3)cc2)C1 ZINC000328087961 600928276 /nfs/dbraw/zinc/92/82/76/600928276.db2.gz YJGDKIZEFOLAPO-JKSUJKDBSA-N -1 0 344.455 3.897 20 0 EHADRM CCC(CC)(NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000342544144 600928379 /nfs/dbraw/zinc/92/83/79/600928379.db2.gz KJKRLKUDWFMDGC-RYUDHWBXSA-N -1 0 344.238 3.857 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Cc2cccc3cccnc32)cc1 ZINC000431539464 600931796 /nfs/dbraw/zinc/93/17/96/600931796.db2.gz YZLZLBMIYWXVMH-UHFFFAOYSA-N -1 0 348.402 3.778 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cc(Cl)c(Cl)[nH]2)cc1 ZINC000316260103 600931986 /nfs/dbraw/zinc/93/19/86/600931986.db2.gz AKDXAWXCYQOQCZ-UHFFFAOYSA-N -1 0 341.194 3.936 20 0 EHADRM CCc1sc(C(=O)N(CCC(=O)[O-])c2cccc(F)c2)cc1C ZINC000737292273 600939279 /nfs/dbraw/zinc/93/92/79/600939279.db2.gz NWLNGUNNOMKVFZ-UHFFFAOYSA-N -1 0 335.400 3.880 20 0 EHADRM Cc1ccc(C)c2sc(NC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)nc21 ZINC000832925387 600941916 /nfs/dbraw/zinc/94/19/16/600941916.db2.gz MLJCREKJYYNMRE-NEPJUHHUSA-N -1 0 332.425 3.743 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000833184602 600948489 /nfs/dbraw/zinc/94/84/89/600948489.db2.gz HVQVFHRTZAJZGL-WOSRLPQWSA-N -1 0 337.366 3.519 20 0 EHADRM CC(C)C[C@H](OC(=O)c1csc(-c2cccs2)n1)C(=O)[O-] ZINC000826819236 600950290 /nfs/dbraw/zinc/95/02/90/600950290.db2.gz HUSLEUFMAHVYHQ-JTQLQIEISA-N -1 0 325.411 3.528 20 0 EHADRM CN(Cc1ncc(-c2ccccc2F)o1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737497159 600958376 /nfs/dbraw/zinc/95/83/76/600958376.db2.gz YYLQWYKAYCOXOO-SFHVURJKSA-N -1 0 340.354 3.738 20 0 EHADRM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)Oc2ccc(C(=O)[O-])cc2)cc1 ZINC000832927647 600964194 /nfs/dbraw/zinc/96/41/94/600964194.db2.gz GKYIGLNZCOJVIO-ZWKOTPCHSA-N -1 0 340.375 3.767 20 0 EHADRM O=C([O-])c1sccc1NC(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000833348074 600966486 /nfs/dbraw/zinc/96/64/86/600966486.db2.gz NCUIJKGSAMHRMD-FZKQIMNGSA-N -1 0 327.405 3.679 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000829004867 600968299 /nfs/dbraw/zinc/96/82/99/600968299.db2.gz QUBNOPGPVKDDPF-KEYYUXOJSA-N -1 0 333.428 3.722 20 0 EHADRM O=C([O-])CCc1nc(CSCc2cc(Cl)ccc2Cl)no1 ZINC000833242110 600969128 /nfs/dbraw/zinc/96/91/28/600969128.db2.gz OVCCNAMTOOCATC-UHFFFAOYSA-N -1 0 347.223 3.827 20 0 EHADRM CN(C(=S)NCCCC(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000830542580 600970835 /nfs/dbraw/zinc/97/08/35/600970835.db2.gz JKIPESTUJNQCQL-UHFFFAOYSA-N -1 0 328.437 3.529 20 0 EHADRM Cc1ccccc1-c1cnc(COC(=O)c2ccc(C(=O)[O-])cc2)o1 ZINC000738750572 600981346 /nfs/dbraw/zinc/98/13/46/600981346.db2.gz VQBZMOGHSFIXJS-UHFFFAOYSA-N -1 0 337.331 3.705 20 0 EHADRM Cc1ccc(-c2cnc(CN3Cc4ccccc4C[C@H]3C(=O)[O-])o2)cc1 ZINC000832907034 600981745 /nfs/dbraw/zinc/98/17/45/600981745.db2.gz KGRZHKLBHWKYHE-SFHVURJKSA-N -1 0 348.402 3.662 20 0 EHADRM O=C([O-])c1cccc(CSc2n[nH]c(-c3cc(F)cc(F)c3)n2)c1 ZINC000740224786 600987534 /nfs/dbraw/zinc/98/75/34/600987534.db2.gz AYYJMWXSOSQGTF-UHFFFAOYSA-N -1 0 347.346 3.740 20 0 EHADRM Cc1ccc(Br)cc1C(=O)Oc1ccccc1C(=O)[O-] ZINC000738501343 600993294 /nfs/dbraw/zinc/99/32/94/600993294.db2.gz LQYUGPMGKYKAEN-UHFFFAOYSA-N -1 0 335.153 3.675 20 0 EHADRM Cc1ccccc1NC(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000832978351 600994104 /nfs/dbraw/zinc/99/41/04/600994104.db2.gz AOMIWIFADZRXEP-OAHLLOKOSA-N -1 0 332.787 3.986 20 0 EHADRM CCc1cccc(C)c1NC(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000324913966 600994637 /nfs/dbraw/zinc/99/46/37/600994637.db2.gz QKNDZDCJXBMFIF-MRXNPFEDSA-N -1 0 326.396 3.547 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000094705006 600995131 /nfs/dbraw/zinc/99/51/31/600995131.db2.gz UORSKAGEZLAWPM-SECBINFHSA-N -1 0 333.215 3.862 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)[C@H](C)c2cccc(Cl)c2)c1 ZINC000737941031 600995843 /nfs/dbraw/zinc/99/58/43/600995843.db2.gz ZUOXSMFPPRTZAE-SNVBAGLBSA-N -1 0 334.755 3.756 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccccc1N1CCCCC1)C(=O)[O-] ZINC000424472621 600996208 /nfs/dbraw/zinc/99/62/08/600996208.db2.gz PAICEXCWIBJXLN-OAHLLOKOSA-N -1 0 347.459 3.545 20 0 EHADRM CC(C)c1csc(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)n1 ZINC000827144102 600996806 /nfs/dbraw/zinc/99/68/06/600996806.db2.gz BZOVZSJFDQPMNI-UHFFFAOYSA-N -1 0 343.408 3.558 20 0 EHADRM COc1cccc(F)c1[C@H](C)NC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000832558606 600996951 /nfs/dbraw/zinc/99/69/51/600996951.db2.gz OTIWLZBVGGABBN-NSHDSACASA-N -1 0 346.358 3.724 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NC[C@@H](C)Cc1cccs1 ZINC000832915770 600996960 /nfs/dbraw/zinc/99/69/60/600996960.db2.gz NWUMRPOTINYNEM-NSHDSACASA-N -1 0 332.425 3.755 20 0 EHADRM C[C@H](C(=O)Nc1ncc(C(=O)[O-])s1)c1ccccc1C(F)(F)F ZINC000736220149 600997507 /nfs/dbraw/zinc/99/75/07/600997507.db2.gz XXVXQZYFBCLYND-ZETCQYMHSA-N -1 0 344.314 3.602 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1ccc2c3c(cccc31)CC2)C(=O)[O-] ZINC000826775167 601000552 /nfs/dbraw/zinc/00/05/52/601000552.db2.gz MMIMQODDCKFOOW-HNNXBMFYSA-N -1 0 340.423 3.807 20 0 EHADRM CCC[C@](C)(NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000236821067 601001067 /nfs/dbraw/zinc/00/10/67/601001067.db2.gz YJNIMBJHUSLLMS-IOASZLSFSA-N -1 0 344.238 3.857 20 0 EHADRM Cc1cc(NC(=O)[C@H]2CCSc3ccccc32)ccc1C(=O)[O-] ZINC000535589577 601009630 /nfs/dbraw/zinc/00/96/30/601009630.db2.gz NAZZVINMNGVGPY-HNNXBMFYSA-N -1 0 327.405 3.911 20 0 EHADRM Cn1c(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)ccc1-c1ccccc1 ZINC000739004698 601010173 /nfs/dbraw/zinc/01/01/73/601010173.db2.gz VFCHXOOYLVBJGG-UHFFFAOYSA-N -1 0 346.386 3.546 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000236751207 601011174 /nfs/dbraw/zinc/01/11/74/601011174.db2.gz WGWBUAPUHYSBKW-KGLIPLIRSA-N -1 0 344.238 3.809 20 0 EHADRM C[C@H](C(=O)N[C@H](C(=O)[O-])C(C)(C)C)c1c(Cl)cccc1Cl ZINC000736213390 601013310 /nfs/dbraw/zinc/01/33/10/601013310.db2.gz ZPCPHJQJNJCDLN-QPUJVOFHSA-N -1 0 332.227 3.712 20 0 EHADRM C[C@@H](CNC(=O)Nc1cccc(NC(=O)[O-])c1)Oc1ccccc1F ZINC000827493185 601022960 /nfs/dbraw/zinc/02/29/60/601022960.db2.gz NNOAOYDJXCXGPM-NSHDSACASA-N -1 0 347.346 3.505 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)c1cc2ccc(F)cc2s1 ZINC000739892719 601023223 /nfs/dbraw/zinc/02/32/23/601023223.db2.gz RJCWBMCRGPXWBE-UHFFFAOYSA-N -1 0 330.336 3.887 20 0 EHADRM C[C@@H](Cc1ccccc1)C(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC000736625217 601025963 /nfs/dbraw/zinc/02/59/63/601025963.db2.gz DRLWBQMAQFVOBB-AWEZNQCLSA-N -1 0 329.371 3.512 20 0 EHADRM O=C([O-])CCN(C(=O)[C@@H]1CSc2ccccc21)c1cccc(F)c1 ZINC000739712925 601025984 /nfs/dbraw/zinc/02/59/84/601025984.db2.gz UEAHOBFDEKILES-OAHLLOKOSA-N -1 0 345.395 3.523 20 0 EHADRM C[C@@H]1C[C@@H]1[C@H](NC(=O)c1cccc(C(=O)[O-])n1)c1ccc(Cl)cc1 ZINC000736763706 601033967 /nfs/dbraw/zinc/03/39/67/601033967.db2.gz DAYWEBRMKNOTOC-AKWBHNSASA-N -1 0 344.798 3.560 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1 ZINC000833239347 601035639 /nfs/dbraw/zinc/03/56/39/601035639.db2.gz PGHDXJRCHGQQJR-OFQRWUPVSA-N -1 0 346.427 3.630 20 0 EHADRM CC[C@@H]1CN(C(=O)CCc2ccc(C(=O)[O-])cc2)c2ccccc2O1 ZINC000736939704 601041686 /nfs/dbraw/zinc/04/16/86/601041686.db2.gz QVMXBNNRFKCULE-MRXNPFEDSA-N -1 0 339.391 3.522 20 0 EHADRM CCO[C@H]1C[C@H](NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)C12CCCC2 ZINC000829925737 601041838 /nfs/dbraw/zinc/04/18/38/601041838.db2.gz SAAZFENRWJFXJR-HOTGVXAUSA-N -1 0 346.427 3.553 20 0 EHADRM O=C([O-])CCCc1nc(CN(c2ccccc2F)C2CCCC2)no1 ZINC000833230091 601043038 /nfs/dbraw/zinc/04/30/38/601043038.db2.gz XARRXWLRBREMPP-UHFFFAOYSA-N -1 0 347.390 3.565 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1ccccc1OC(C)(C)C)C(=O)[O-] ZINC000826775099 601049862 /nfs/dbraw/zinc/04/98/62/601049862.db2.gz CRWWXLQWNUAUNT-ZDUSSCGKSA-N -1 0 336.432 3.732 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccc2oc(C(C)C)nc2c1)C(=O)[O-] ZINC000570273812 601053833 /nfs/dbraw/zinc/05/38/33/601053833.db2.gz RMJSHNUIWRUFEQ-GFCCVEGCSA-N -1 0 347.415 3.820 20 0 EHADRM C[C@@H](C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)c1cccc(Cl)c1 ZINC000736218568 601054344 /nfs/dbraw/zinc/05/43/44/601054344.db2.gz PUOIXOVNYWPRBJ-SECBINFHSA-N -1 0 343.770 3.657 20 0 EHADRM Cc1ccc2cc(C(=O)O[C@H](C(=O)[O-])c3ccccc3F)[nH]c2c1 ZINC000832961771 601057336 /nfs/dbraw/zinc/05/73/36/601057336.db2.gz DMHJQBMPZWUXEO-INIZCTEOSA-N -1 0 327.311 3.598 20 0 EHADRM O=C([O-])NCC(=O)Nc1cccc(Sc2ccc(Cl)cc2)c1 ZINC000833279586 601062496 /nfs/dbraw/zinc/06/24/96/601062496.db2.gz JXJQSKIXDZOTDV-UHFFFAOYSA-N -1 0 336.800 3.697 20 0 EHADRM Cc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000237656000 601063250 /nfs/dbraw/zinc/06/32/50/601063250.db2.gz MTZOKYZUZVKNLO-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000486276586 601063356 /nfs/dbraw/zinc/06/33/56/601063356.db2.gz AHWAAUILPMIHII-MRXNPFEDSA-N -1 0 333.428 3.508 20 0 EHADRM Cc1ccc(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)cc1C(=O)[O-] ZINC000262746832 601063460 /nfs/dbraw/zinc/06/34/60/601063460.db2.gz JXSQCQLLYPNSQT-UHFFFAOYSA-N -1 0 341.411 3.774 20 0 EHADRM O=C([O-])CN(C(=O)c1cc(Oc2ccccc2)ccn1)c1ccccc1 ZINC000337735823 601068319 /nfs/dbraw/zinc/06/83/19/601068319.db2.gz IMQWQFJJINKOGD-UHFFFAOYSA-N -1 0 348.358 3.605 20 0 EHADRM CC/C(=C/C(=O)NC[C@@H](C(=O)[O-])c1ccccc1)c1ccc(C)cc1 ZINC000736837393 601068710 /nfs/dbraw/zinc/06/87/10/601068710.db2.gz VTXOEPXVGJKLSM-XCTGESOMSA-N -1 0 337.419 3.773 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cc(Cl)ccc1F)c1ccccc1F ZINC000833351558 601070032 /nfs/dbraw/zinc/07/00/32/601070032.db2.gz NLBZPKCMOYVJGJ-ZDUSSCGKSA-N -1 0 326.682 3.601 20 0 EHADRM CCCn1ccc2ccc(NC(=O)NC3CCC(C(=O)[O-])CC3)cc21 ZINC000263056733 601070369 /nfs/dbraw/zinc/07/03/69/601070369.db2.gz NYQLTSAMFGNWKW-UHFFFAOYSA-N -1 0 343.427 3.816 20 0 EHADRM O=C([O-])[C@@H](OC(=O)/C=C\c1ccc(Cl)s1)c1ccccc1F ZINC000833095640 601071132 /nfs/dbraw/zinc/07/11/32/601071132.db2.gz WHWIAVSSCMVDDC-QPBFKRLHSA-N -1 0 340.759 3.923 20 0 EHADRM Cc1ccc(NC(=O)NCCC(=O)[O-])cc1OCC1CCCCC1 ZINC000832944879 601073009 /nfs/dbraw/zinc/07/30/09/601073009.db2.gz NCNHUPOBMVCYJU-UHFFFAOYSA-N -1 0 334.416 3.550 20 0 EHADRM Cc1cccc(C(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1C ZINC000832963746 601078719 /nfs/dbraw/zinc/07/87/19/601078719.db2.gz LSGJHOWKTZCOCK-AEFFLSMTSA-N -1 0 329.440 3.799 20 0 EHADRM Cc1ccc(CCC(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)o1 ZINC000832930343 601078766 /nfs/dbraw/zinc/07/87/66/601078766.db2.gz IRABQALWEUXHSS-UHFFFAOYSA-N -1 0 336.413 3.612 20 0 EHADRM Cc1ccc(F)c(C(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c1 ZINC000832936155 601082564 /nfs/dbraw/zinc/08/25/64/601082564.db2.gz ZHMOKLHDKNNBHM-WMLDXEAASA-N -1 0 333.403 3.630 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)/C=C/c1cccs1 ZINC000833177822 601082597 /nfs/dbraw/zinc/08/25/97/601082597.db2.gz RPEBUQMHRXUYNN-RIEFBQKVSA-N -1 0 333.453 3.643 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)CCc1cccs1 ZINC000621580886 601085115 /nfs/dbraw/zinc/08/51/15/601085115.db2.gz BVUROWCBEJABDA-ZBFHGGJFSA-N -1 0 335.469 3.563 20 0 EHADRM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000439795341 601085364 /nfs/dbraw/zinc/08/53/64/601085364.db2.gz UEAQNUHKMZWKLE-PXAZEXFGSA-N -1 0 327.355 3.747 20 0 EHADRM Cc1ccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cc1F ZINC000832912095 601085584 /nfs/dbraw/zinc/08/55/84/601085584.db2.gz HKXDYNWZRLYZHC-DOTOQJQBSA-N -1 0 333.403 3.630 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N2CC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000740123169 601087122 /nfs/dbraw/zinc/08/71/22/601087122.db2.gz INONHQBLWBRSHV-QGZVFWFLSA-N -1 0 343.810 3.944 20 0 EHADRM CCN(C(=O)c1oc2ccccc2c1C)c1ncc(C(=O)[O-])s1 ZINC000737062551 601112024 /nfs/dbraw/zinc/11/20/24/601112024.db2.gz RPQVFKSQMNFSJG-UHFFFAOYSA-N -1 0 330.365 3.563 20 0 EHADRM Cc1ccc(CCCC(=O)O[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000832930424 601112795 /nfs/dbraw/zinc/11/27/95/601112795.db2.gz MTCXMJMPFUZBJX-SFHVURJKSA-N -1 0 330.355 3.826 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000324932400 601125501 /nfs/dbraw/zinc/12/55/01/601125501.db2.gz NYWGGQKNLNNSCD-CABCVRRESA-N -1 0 330.428 3.506 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC000183964790 601125830 /nfs/dbraw/zinc/12/58/30/601125830.db2.gz WRMJHLDLNQVMCF-UHTWSYAYSA-N -1 0 343.345 3.774 20 0 EHADRM CN(Cc1ccc2ccccc2c1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000261694198 601126033 /nfs/dbraw/zinc/12/60/33/601126033.db2.gz NZKISUUZEJDVQF-MSOLQXFVSA-N -1 0 325.408 3.689 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)NC1(CC(=O)[O-])CCC1 ZINC000649539163 601126538 /nfs/dbraw/zinc/12/65/38/601126538.db2.gz LNHBOCXKKBONSY-UHFFFAOYSA-N -1 0 328.821 3.581 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2cccc(Oc3ccccc3)c2)CCC1 ZINC000327154149 601126707 /nfs/dbraw/zinc/12/67/07/601126707.db2.gz GGEVXNRACKCFGD-UHFFFAOYSA-N -1 0 340.379 3.998 20 0 EHADRM CC1(C)CCC[C@H]1NC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000828060612 601128830 /nfs/dbraw/zinc/12/88/30/601128830.db2.gz XSPCPBSPWOGNPD-CQSZACIVSA-N -1 0 336.457 3.705 20 0 EHADRM C[C@@H]1c2ccccc2CN1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000828527443 601133601 /nfs/dbraw/zinc/13/36/01/601133601.db2.gz LJTANISUCBWSJM-GFCCVEGCSA-N -1 0 325.368 3.563 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H]2CCCOc3ccccc32)cc1C(=O)[O-] ZINC000832947304 601137337 /nfs/dbraw/zinc/13/73/37/601137337.db2.gz RFYFRGZJMKOSHT-MRXNPFEDSA-N -1 0 340.379 3.729 20 0 EHADRM CCC[C@H](NC(=O)Nc1ccc(C)c(C(=O)[O-])c1)c1ccccn1 ZINC000829223486 601138663 /nfs/dbraw/zinc/13/86/63/601138663.db2.gz ROJBQRKQCLBCIZ-INIZCTEOSA-N -1 0 327.384 3.751 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc(C(F)(F)F)cc1)c1cccc(F)c1 ZINC000833245452 601144584 /nfs/dbraw/zinc/14/45/84/601144584.db2.gz BKAVKNJGXBVLOM-UHFFFAOYSA-N -1 0 341.260 3.576 20 0 EHADRM COc1ccccc1[C@H](C)NC(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000832594036 601146911 /nfs/dbraw/zinc/14/69/11/601146911.db2.gz BLQPAHRYFFFRBX-LBPRGKRZSA-N -1 0 328.368 3.585 20 0 EHADRM Cc1ccc(CCCC(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)s1 ZINC000262139979 601158463 /nfs/dbraw/zinc/15/84/63/601158463.db2.gz LXDJNMMNDAOORU-UHFFFAOYSA-N -1 0 335.425 3.637 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(-c2ccccc2)[nH]1)c1ccccc1 ZINC000178174245 601163378 /nfs/dbraw/zinc/16/33/78/601163378.db2.gz HNRUYHLTULFADV-AUUYWEPGSA-N -1 0 348.402 3.874 20 0 EHADRM CSc1ccsc1C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832790769 601166976 /nfs/dbraw/zinc/16/69/76/601166976.db2.gz RVKKYFBTKUAVMP-MFKMUULPSA-N -1 0 335.450 3.662 20 0 EHADRM CSc1ccccc1C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000507318924 601171105 /nfs/dbraw/zinc/17/11/05/601171105.db2.gz NWYCRLBBTFDSTP-WBMJQRKESA-N -1 0 329.421 3.600 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCCCC1 ZINC000322092171 601186134 /nfs/dbraw/zinc/18/61/34/601186134.db2.gz HPIMQYAKWPLHDD-VXGBXAGGSA-N -1 0 335.366 3.649 20 0 EHADRM COc1ccc([C@H](C)OC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1Cl ZINC000832226660 601187434 /nfs/dbraw/zinc/18/74/34/601187434.db2.gz QNNITXIKPHSAJT-UHTWSYAYSA-N -1 0 340.803 3.844 20 0 EHADRM CCOc1ccccc1Oc1ccccc1C(=O)O[C@H](C)C(=O)[O-] ZINC000830116830 601188963 /nfs/dbraw/zinc/18/89/63/601188963.db2.gz FICSKQNUSWZBRX-GFCCVEGCSA-N -1 0 330.336 3.508 20 0 EHADRM CCS[C@H]1CCC[C@@H](NC(=O)Nc2cc(C(=O)[O-])ccc2F)C1 ZINC000830158467 601191160 /nfs/dbraw/zinc/19/11/60/601191160.db2.gz WKNDFACUGSUOGE-NEPJUHHUSA-N -1 0 340.420 3.710 20 0 EHADRM CC(=O)c1c(C)cc(C)c(COC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1C ZINC000825941971 601192602 /nfs/dbraw/zinc/19/26/02/601192602.db2.gz HDLPYPJPDIIQTR-CVEARBPZSA-N -1 0 346.423 3.749 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC000832992193 601194644 /nfs/dbraw/zinc/19/46/44/601194644.db2.gz BFUOFNPZDTZWJI-MRXNPFEDSA-N -1 0 337.331 3.633 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1C[C@H](C)CC[C@@H]1C ZINC000828213606 601222620 /nfs/dbraw/zinc/22/26/20/601222620.db2.gz BEMIBDBZSWSKTO-OLZOCXBDSA-N -1 0 334.416 3.824 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1C[C@H](C)CC[C@H]1C ZINC000828213605 601222759 /nfs/dbraw/zinc/22/27/59/601222759.db2.gz BEMIBDBZSWSKTO-CHWSQXEVSA-N -1 0 334.416 3.824 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)O[C@@H](c2ccccc2)c2ccncc2)C1 ZINC000833189004 601237995 /nfs/dbraw/zinc/23/79/95/601237995.db2.gz POHAZJSSRHAHLK-SQNIBIBYSA-N -1 0 339.391 3.605 20 0 EHADRM C[C@@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000237581847 601242313 /nfs/dbraw/zinc/24/23/13/601242313.db2.gz IEHZPBRMYBQDRG-MRVPVSSYSA-N -1 0 339.178 3.578 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000826038997 601247742 /nfs/dbraw/zinc/24/77/42/601247742.db2.gz KKWXHSXQVJCYMY-ABAIWWIYSA-N -1 0 332.787 3.924 20 0 EHADRM CCO[C@@H]1C[C@H](N(C)c2nc(Cl)c(C(=O)[O-])s2)C12CCCC2 ZINC000829925110 601251889 /nfs/dbraw/zinc/25/18/89/601251889.db2.gz NKFNGVLWQHWCCA-VHSXEESVSA-N -1 0 344.864 3.669 20 0 EHADRM CC[C@@](C)(NC(=O)c1cc(C2CC2)nc2ccc(Cl)cc21)C(=O)[O-] ZINC000431443318 601257358 /nfs/dbraw/zinc/25/73/58/601257358.db2.gz DNLXRISUVNDJSK-GOSISDBHSA-N -1 0 346.814 3.749 20 0 EHADRM C[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)c1ccc(-c2cccnc2)cc1 ZINC000191646565 601270850 /nfs/dbraw/zinc/27/08/50/601270850.db2.gz GSWZDDJXJFAUHM-CQSZACIVSA-N -1 0 346.386 3.938 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1ccccc1C(F)(F)F ZINC000828784943 601271287 /nfs/dbraw/zinc/27/12/87/601271287.db2.gz UASHTSKWSAVCOE-UHFFFAOYSA-N -1 0 332.322 3.860 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000237012084 601283620 /nfs/dbraw/zinc/28/36/20/601283620.db2.gz BPHJRROBBBSWAG-KRWDZBQOSA-N -1 0 341.407 3.808 20 0 EHADRM CCc1cccc(C)c1NC(=O)CNc1ccc(C)c(C(=O)[O-])c1 ZINC000830259739 601301763 /nfs/dbraw/zinc/30/17/63/601301763.db2.gz GVUZYYFNTWUFBG-UHFFFAOYSA-N -1 0 326.396 3.615 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)Nc1cccc2[nH]ccc21)c1ccc(F)cc1 ZINC000738567348 601309936 /nfs/dbraw/zinc/30/99/36/601309936.db2.gz WQYDSLSIWDYZKU-MRXNPFEDSA-N -1 0 341.342 3.645 20 0 EHADRM Cn1cc(NC(=O)C2(c3cccc(F)c3)CCCCC2)cc1C(=O)[O-] ZINC000833045014 601314917 /nfs/dbraw/zinc/31/49/17/601314917.db2.gz IOPCIKGQCROODB-UHFFFAOYSA-N -1 0 344.386 3.703 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1 ZINC000827117699 601316216 /nfs/dbraw/zinc/31/62/16/601316216.db2.gz HQKFMRKFTHYPPL-HOTGVXAUSA-N -1 0 326.396 3.589 20 0 EHADRM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1 ZINC000827117697 601316346 /nfs/dbraw/zinc/31/63/46/601316346.db2.gz HQKFMRKFTHYPPL-CVEARBPZSA-N -1 0 326.396 3.589 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000829014092 601317909 /nfs/dbraw/zinc/31/79/09/601317909.db2.gz BIVPMKUWZFIXHI-INIZCTEOSA-N -1 0 344.411 3.643 20 0 EHADRM COc1cccc(/C(C)=C\C(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC000832528528 601359173 /nfs/dbraw/zinc/35/91/73/601359173.db2.gz NVHUHEFKONRFOH-MMRAYRKESA-N -1 0 330.336 3.694 20 0 EHADRM C[C@@H](c1cccs1)c1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC000827965537 601363314 /nfs/dbraw/zinc/36/33/14/601363314.db2.gz CNLXQKWIPHOOAL-JTQLQIEISA-N -1 0 330.365 3.560 20 0 EHADRM O=C([O-])c1cccc(OCc2noc(-c3cc(Cl)ccc3F)n2)c1 ZINC000833333338 601365691 /nfs/dbraw/zinc/36/56/91/601365691.db2.gz VREBEFIDWHJWPX-UHFFFAOYSA-N -1 0 348.717 3.806 20 0 EHADRM CCc1ccc(-c2nc(COc3cccc(C(=O)[O-])c3)no2)s1 ZINC000830228795 601366960 /nfs/dbraw/zinc/36/69/60/601366960.db2.gz FTJNQNLXBNTFAZ-UHFFFAOYSA-N -1 0 330.365 3.638 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000128682531 601387193 /nfs/dbraw/zinc/38/71/93/601387193.db2.gz CMEAXCXCHVIUMR-ZDUSSCGKSA-N -1 0 327.380 3.834 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1ccccc1C(=O)NC(C)(C)C ZINC000830379049 601390928 /nfs/dbraw/zinc/39/09/28/601390928.db2.gz HQGAJNSIUMCSJF-UHFFFAOYSA-N -1 0 344.411 3.681 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1ccc(C(=O)NC(C)C)cc1C ZINC000830379535 601391214 /nfs/dbraw/zinc/39/12/14/601391214.db2.gz ZNYWADYBMFCNFM-UHFFFAOYSA-N -1 0 344.411 3.599 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1ccccc1C(=O)N(CC)CC ZINC000830379442 601391271 /nfs/dbraw/zinc/39/12/71/601391271.db2.gz WIMRENZFNPRXMM-UHFFFAOYSA-N -1 0 344.411 3.634 20 0 EHADRM C/C(=C\C(=O)N[C@H](C(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC000769571787 601397772 /nfs/dbraw/zinc/39/77/72/601397772.db2.gz YZPPJSGJCQVXOK-JICACKBISA-N -1 0 329.783 3.685 20 0 EHADRM CC(C)(c1nc(-c2cccc(C(=O)[O-])c2)no1)c1ccc(F)cc1 ZINC000826642320 601403264 /nfs/dbraw/zinc/40/32/64/601403264.db2.gz WENNOUZZZXDLFI-UHFFFAOYSA-N -1 0 326.327 3.900 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CSc1ccc(Br)cn1 ZINC000830394553 601406541 /nfs/dbraw/zinc/40/65/41/601406541.db2.gz GNZQTTGJQCQAIE-UHFFFAOYSA-N -1 0 342.214 3.990 20 0 EHADRM O=C([O-])c1sccc1NC(=O)N1CCC(c2cccc(F)c2)CC1 ZINC000833347926 601408780 /nfs/dbraw/zinc/40/87/80/601408780.db2.gz IOKNEMIJAXZKLL-UHFFFAOYSA-N -1 0 348.399 3.997 20 0 EHADRM C/C(=C/COC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)C(=O)[O-] ZINC000825769200 601416234 /nfs/dbraw/zinc/41/62/34/601416234.db2.gz KOMLMPDGUVFDGR-DAXSKMNVSA-N -1 0 328.151 3.662 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000321886374 601423499 /nfs/dbraw/zinc/42/34/99/601423499.db2.gz TVXVCRRPBVYKFQ-GFCCVEGCSA-N -1 0 338.835 3.687 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NC1(CC(=O)[O-])CCC1 ZINC000262505682 601432244 /nfs/dbraw/zinc/43/22/44/601432244.db2.gz OEMSGBXLNMOYHU-SNVBAGLBSA-N -1 0 344.238 3.686 20 0 EHADRM O=C([O-])CC1(NC(=O)c2ccc(-c3ccc(F)cc3)cc2F)CCC1 ZINC000262406533 601432972 /nfs/dbraw/zinc/43/29/72/601432972.db2.gz ARWPTXVAVHHAMH-UHFFFAOYSA-N -1 0 345.345 3.759 20 0 EHADRM C/C(=C\C(=O)NC1(CC(=O)[O-])CCC1)c1ccccc1C(F)(F)F ZINC000776628931 601434930 /nfs/dbraw/zinc/43/49/30/601434930.db2.gz RFBDWJDAUQQVLY-PKNBQFBNSA-N -1 0 341.329 3.622 20 0 EHADRM O=C([O-])CC1(NC(=O)CCCc2ccc(Cl)c(Cl)c2)CCC1 ZINC000262514192 601438827 /nfs/dbraw/zinc/43/88/27/601438827.db2.gz KVAHMAVVDUBLFI-UHFFFAOYSA-N -1 0 344.238 3.830 20 0 EHADRM C[C@H](C(=O)Nc1cccc(F)c1C(=O)[O-])c1ccc(Cl)s1 ZINC000826021844 601447565 /nfs/dbraw/zinc/44/75/65/601447565.db2.gz UAZCHNXZBFNGDX-ZETCQYMHSA-N -1 0 327.764 3.981 20 0 EHADRM Cc1sc(NC(=O)c2ccc(F)c(F)c2F)c(C(=O)[O-])c1C ZINC000020332883 601455788 /nfs/dbraw/zinc/45/57/88/601455788.db2.gz BOXQHDLBGHJTTC-UHFFFAOYSA-N -1 0 329.299 3.733 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(COc2ccccc2)cc1 ZINC000237129751 601458270 /nfs/dbraw/zinc/45/82/70/601458270.db2.gz ZRBCPIKHJFQVKA-HXUWFJFHSA-N -1 0 341.407 3.639 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000237115943 601460134 /nfs/dbraw/zinc/46/01/34/601460134.db2.gz SHKGFXIEFALKJN-FUHIMQAGSA-N -1 0 325.408 3.703 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)Cc1cc2ccccc2o1 ZINC000830389921 601463198 /nfs/dbraw/zinc/46/31/98/601463198.db2.gz WTPNIBODJFHWOW-UHFFFAOYSA-N -1 0 328.320 3.572 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)c1csc(CC(C)C)n1 ZINC000830394849 601464321 /nfs/dbraw/zinc/46/43/21/601464321.db2.gz NQUGKAIDLJPOMD-UHFFFAOYSA-N -1 0 337.397 3.552 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)C[C@@H](C)c1ccccc1OC ZINC000830383825 601465002 /nfs/dbraw/zinc/46/50/02/601465002.db2.gz GJMVTSTXHOITJO-GFCCVEGCSA-N -1 0 346.379 3.786 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cnc(-c2ccc(C)cc2C)s1 ZINC000767051756 601467195 /nfs/dbraw/zinc/46/71/95/601467195.db2.gz OYMURLXTFRHIQJ-SFHVURJKSA-N -1 0 346.452 3.800 20 0 EHADRM C[C@@H](OC(=O)[C@]1(C)CCc2ccccc2C1)c1ccc(C(=O)[O-])o1 ZINC000827816991 601467402 /nfs/dbraw/zinc/46/74/02/601467402.db2.gz FUTASSJMJKYGMS-CWTRNNRKSA-N -1 0 328.364 3.777 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CCOc1ccc(Cl)c(Cl)c1 ZINC000828623069 601468470 /nfs/dbraw/zinc/46/84/70/601468470.db2.gz DKTAVXRKGMIVAM-HNNXBMFYSA-N -1 0 348.226 3.522 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)CCc1cc(Cl)cs1 ZINC000262563582 601483430 /nfs/dbraw/zinc/48/34/30/601483430.db2.gz ZKRPUTSVSDZOLT-INIZCTEOSA-N -1 0 349.839 3.545 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)C[C@@H](C)c1cccc(OC)c1 ZINC000830384303 601484796 /nfs/dbraw/zinc/48/47/96/601484796.db2.gz MPPSSAVKMYNTGY-GFCCVEGCSA-N -1 0 346.379 3.786 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)O[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000832528982 601484978 /nfs/dbraw/zinc/48/49/78/601484978.db2.gz TZWPNOFFQFNIKZ-SGTLLEGYSA-N -1 0 346.354 3.697 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)/C=C/c1ccc(Cl)s1 ZINC000321407332 601489888 /nfs/dbraw/zinc/48/98/88/601489888.db2.gz AXBUVYHQEMRVQF-IQIBNGDESA-N -1 0 347.823 3.625 20 0 EHADRM CCC1CCC(NCc2ncc(-c3cccc(F)c3)o2)(C(=O)[O-])CC1 ZINC000829108375 601494811 /nfs/dbraw/zinc/49/48/11/601494811.db2.gz ZSFDPULIFLREPZ-UHFFFAOYSA-N -1 0 346.402 3.994 20 0 EHADRM CCC1CCC(NCc2nnc(-c3ccc(C)cc3)o2)(C(=O)[O-])CC1 ZINC000829107104 601496187 /nfs/dbraw/zinc/49/61/87/601496187.db2.gz GTZUPNJAYBHEJW-UHFFFAOYSA-N -1 0 343.427 3.558 20 0 EHADRM C[C@@H]1CC/C(=C/C(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)C1 ZINC000828207185 601502042 /nfs/dbraw/zinc/50/20/42/601502042.db2.gz IXEBQFUAMPNVHA-JRZFIGEHSA-N -1 0 331.397 3.521 20 0 EHADRM Cn1cc(NC(=O)Nc2ccc(Cl)cc2Cl)cc1C(=O)[O-] ZINC000833048694 601526877 /nfs/dbraw/zinc/52/68/77/601526877.db2.gz CWEGJYSKNQBVBW-UHFFFAOYSA-N -1 0 328.155 3.674 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CCc2c(F)ccc(F)c2C1 ZINC000832914905 601527855 /nfs/dbraw/zinc/52/78/55/601527855.db2.gz CLUGJVJPJFLSNX-UHFFFAOYSA-N -1 0 346.333 3.562 20 0 EHADRM Cc1cccc(CN(C)[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)n1 ZINC000832968495 601536668 /nfs/dbraw/zinc/53/66/68/601536668.db2.gz YDSOEKRSFHCIJQ-OAHLLOKOSA-N -1 0 339.222 3.955 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000833332447 601545578 /nfs/dbraw/zinc/54/55/78/601545578.db2.gz AKMJFYXXDWAIMY-ZDUSSCGKSA-N -1 0 328.343 3.545 20 0 EHADRM O=C([O-])c1sc(N2CC[C@H](c3ccc(F)cc3)C2)nc1Cl ZINC000833345649 601563346 /nfs/dbraw/zinc/56/33/46/601563346.db2.gz BVPYAEUORYYDAE-VIFPVBQESA-N -1 0 326.780 3.628 20 0 EHADRM O=C([O-])[C@@H](NC(=O)C/C=C\c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000537365208 601585176 /nfs/dbraw/zinc/58/51/76/601585176.db2.gz HPVXRWQNFKOCIW-YYZONTRBSA-N -1 0 347.773 3.825 20 0 EHADRM C/C(=C\C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccccc1 ZINC000776650958 601585312 /nfs/dbraw/zinc/58/53/12/601585312.db2.gz PQCRWNHZEKVYKE-FMQWLBJXSA-N -1 0 329.783 3.685 20 0 EHADRM O=C([O-])[C@@H](NC(=O)C[C@@H]1CCc2ccccc21)c1ccc(Cl)cc1 ZINC000678982361 601585802 /nfs/dbraw/zinc/58/58/02/601585802.db2.gz ASUMHAMSSQWIQG-KSSFIOAISA-N -1 0 343.810 3.702 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000540667251 601585932 /nfs/dbraw/zinc/58/59/32/601585932.db2.gz LKYGUDFJEZRIHL-BZNIZROVSA-N -1 0 349.789 3.600 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000540667249 601585945 /nfs/dbraw/zinc/58/59/45/601585945.db2.gz LKYGUDFJEZRIHL-BDJLRTHQSA-N -1 0 349.789 3.600 20 0 EHADRM CSCc1cc(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)ccc1F ZINC000832766528 601590177 /nfs/dbraw/zinc/59/01/77/601590177.db2.gz BHCXEBCEPHGNGB-VIFPVBQESA-N -1 0 338.356 3.898 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1F)C1CC1 ZINC000833123423 601591647 /nfs/dbraw/zinc/59/16/47/601591647.db2.gz SSOMOFRVSGHPKB-INIZCTEOSA-N -1 0 347.773 3.739 20 0 EHADRM CCc1nc(CNc2ccc(Oc3ccccc3)cc2C(=O)[O-])no1 ZINC000830318861 601606081 /nfs/dbraw/zinc/60/60/81/601606081.db2.gz UUYXJLWNHSMMEM-UHFFFAOYSA-N -1 0 339.351 3.735 20 0 EHADRM Cc1nc(CC(C)C)c(C(=O)O[C@@H](C(=O)[O-])c2ccccc2)s1 ZINC000832998405 601606309 /nfs/dbraw/zinc/60/63/09/601606309.db2.gz LIXDHJGAODOKLG-CQSZACIVSA-N -1 0 333.409 3.633 20 0 EHADRM CN(Cc1ccc(NCc2noc(-c3cccs3)n2)cc1)C(=O)[O-] ZINC000830840070 601607063 /nfs/dbraw/zinc/60/70/63/601607063.db2.gz JJUKBUGNDQWITG-UHFFFAOYSA-N -1 0 344.396 3.520 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N[C@@H](c3ccccc3)[C@@H](C)C(=O)[O-])cc2c1 ZINC000531742961 601608251 /nfs/dbraw/zinc/60/82/51/601608251.db2.gz WZQMYOUSXIKMQS-FZKQIMNGSA-N -1 0 336.391 3.668 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Nc1ccccc1Cc1ccccc1)C1CC1 ZINC000327014499 601614909 /nfs/dbraw/zinc/61/49/09/601614909.db2.gz GIXMEGJXZNCLLV-SFHVURJKSA-N -1 0 338.407 3.652 20 0 EHADRM CCc1ccccc1NC(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000830282415 601615082 /nfs/dbraw/zinc/61/50/82/601615082.db2.gz UVUVNLZLHWNWNF-DYVFJYSZSA-N -1 0 326.396 3.833 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)CCCOc1ccc(Cl)cc1 ZINC000238068116 601615803 /nfs/dbraw/zinc/61/58/03/601615803.db2.gz BRVXSUFZFOOICF-UHFFFAOYSA-N -1 0 347.798 3.765 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000237494223 601616290 /nfs/dbraw/zinc/61/62/90/601616290.db2.gz QYJACYYQZGFBQG-ZDUSSCGKSA-N -1 0 329.421 3.681 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)Nc1ccccc1CC(=O)[O-] ZINC000236901804 601616450 /nfs/dbraw/zinc/61/64/50/601616450.db2.gz KUXLJXKKUKFVMC-AWEZNQCLSA-N -1 0 341.407 3.845 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)C1(Cc2ccccc2)CC1)c1ccccc1 ZINC000826025636 601617928 /nfs/dbraw/zinc/61/79/28/601617928.db2.gz DQNBPHVYJMFQLQ-QAPCUYQASA-N -1 0 337.419 3.588 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)Nc3ccccc3CC(=O)[O-])c2c1 ZINC000346030917 601618042 /nfs/dbraw/zinc/61/80/42/601618042.db2.gz UYOBICCIJXQJSX-UHFFFAOYSA-N -1 0 336.391 3.675 20 0 EHADRM Cc1ccc(CCC(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)o1 ZINC000345901557 601620563 /nfs/dbraw/zinc/62/05/63/601620563.db2.gz IDTYCHCAJRXNBZ-HNNXBMFYSA-N -1 0 335.787 3.506 20 0 EHADRM Cc1cccc2sc(C(=O)N3CCCC[C@@H]3C(=O)[O-])c(Cl)c21 ZINC000621562888 601627333 /nfs/dbraw/zinc/62/73/33/601627333.db2.gz MDRBCJGCCLNWAJ-SNVBAGLBSA-N -1 0 337.828 3.942 20 0 EHADRM O=C([O-])[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000136537562 601628864 /nfs/dbraw/zinc/62/88/64/601628864.db2.gz PXVDGCDDAGBXHW-BFHYXJOUSA-N -1 0 342.222 3.563 20 0 EHADRM Cc1nc(C(=O)[O-])cn1Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000832995945 601638838 /nfs/dbraw/zinc/63/88/38/601638838.db2.gz LLXNWEOLRSYJAQ-UHFFFAOYSA-N -1 0 347.827 3.639 20 0 EHADRM Cc1sc(NC(=O)Cc2ccc(F)c(F)c2)c(C(=O)[O-])c1C ZINC000388069571 601644553 /nfs/dbraw/zinc/64/45/53/601644553.db2.gz RKCJDYHCNMJPJK-UHFFFAOYSA-N -1 0 325.336 3.523 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NCc1coc(-c2cccs2)n1)c1ccccc1 ZINC000826055010 601652540 /nfs/dbraw/zinc/65/25/40/601652540.db2.gz UMTYHABWJXNUQL-WBMJQRKESA-N -1 0 342.420 3.955 20 0 EHADRM CN(C(=O)CCCc1ccc(F)c(F)c1)c1ccccc1C(=O)[O-] ZINC000830471695 601657055 /nfs/dbraw/zinc/65/70/55/601657055.db2.gz IOMAKROIXJLMPB-UHFFFAOYSA-N -1 0 333.334 3.649 20 0 EHADRM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(NC(=O)[O-])cc2)C1(CC)CC ZINC000829917260 601662835 /nfs/dbraw/zinc/66/28/35/601662835.db2.gz FAOSKULCRVOBRO-JKSUJKDBSA-N -1 0 348.443 3.832 20 0 EHADRM CCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc(NC(=O)[O-])c2)C1(CC)CC ZINC000829917829 601663015 /nfs/dbraw/zinc/66/30/15/601663015.db2.gz JGZIVTZNJPELLS-HZPDHXFCSA-N -1 0 348.443 3.832 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N[C@H](C2CCCC2)C(F)(F)F)c1 ZINC000833290811 601665289 /nfs/dbraw/zinc/66/52/89/601665289.db2.gz SMUXTUCXPUAKLT-GFCCVEGCSA-N -1 0 330.306 3.627 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)c1cc(F)cc(Cl)c1)C(=O)[O-] ZINC000827455580 601667463 /nfs/dbraw/zinc/66/74/63/601667463.db2.gz LWPADZGKZJXZQC-GFCCVEGCSA-N -1 0 349.789 3.842 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CSc1n[nH]c(-c2ccccc2F)n1 ZINC000833031195 601670595 /nfs/dbraw/zinc/67/05/95/601670595.db2.gz GIWFPYIANQYLDZ-UHFFFAOYSA-N -1 0 349.412 3.971 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)CCCc1csc2ccccc12)C(=O)[O-] ZINC000236942640 601672222 /nfs/dbraw/zinc/67/22/22/601672222.db2.gz AJSMZUZPQCGFAM-SJCJKPOMSA-N -1 0 333.453 3.840 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000833289058 601674080 /nfs/dbraw/zinc/67/40/80/601674080.db2.gz DQLNHKRZECQOHB-PWSUYJOCSA-N -1 0 344.333 3.875 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCCc2ccc(F)c(F)c2)c(F)c1 ZINC000479520780 601674660 /nfs/dbraw/zinc/67/46/60/601674660.db2.gz ZGLLJZYFEXYSAH-UHFFFAOYSA-N -1 0 337.297 3.764 20 0 EHADRM CC[C@@H](NC(=O)c1cccc(OCc2cccc(Cl)c2)c1)C(=O)[O-] ZINC000562374742 601675718 /nfs/dbraw/zinc/67/57/18/601675718.db2.gz OEIWJGQNBFBLDT-MRXNPFEDSA-N -1 0 347.798 3.512 20 0 EHADRM CN(C(=O)CCCc1ccc(F)c(F)c1)[C@H](C(=O)[O-])c1ccccc1 ZINC000776620073 601679128 /nfs/dbraw/zinc/67/91/28/601679128.db2.gz FJCVZPSFECQMRQ-SFHVURJKSA-N -1 0 347.361 3.572 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NCC(C)(C)C(=O)[O-] ZINC000827935040 601685846 /nfs/dbraw/zinc/68/58/46/601685846.db2.gz MGBHCNJTSFFJLV-VIFPVBQESA-N -1 0 347.242 3.807 20 0 EHADRM CC(C)CC1(CNC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])CC1 ZINC000236672510 601688796 /nfs/dbraw/zinc/68/87/96/601688796.db2.gz WDOPJHHOJXYZBP-ZDUSSCGKSA-N -1 0 335.469 3.808 20 0 EHADRM CSc1cc(C)ccc1CNC(=O)c1ccccc1NC(=O)[O-] ZINC000832774153 601689771 /nfs/dbraw/zinc/68/97/71/601689771.db2.gz BQSAMGUFVDWKBQ-UHFFFAOYSA-N -1 0 330.409 3.737 20 0 EHADRM Cc1cccc(CC2CN(C(=O)Nc3cccc(C(=O)[O-])c3C)C2)c1 ZINC000832970373 601693548 /nfs/dbraw/zinc/69/35/48/601693548.db2.gz UVQFJZRLEJXYEK-UHFFFAOYSA-N -1 0 338.407 3.708 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc3sc4ccccc4c3s2)C[C@H]1C(=O)[O-] ZINC000262910962 601694410 /nfs/dbraw/zinc/69/44/10/601694410.db2.gz NEOBAUDXOFNNNF-MWLCHTKSSA-N -1 0 345.445 3.909 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)COc1cccc(Cl)c1 ZINC000833030616 601702666 /nfs/dbraw/zinc/70/26/66/601702666.db2.gz BFDSNNXKIMYQPX-UHFFFAOYSA-N -1 0 340.784 3.530 20 0 EHADRM Cc1cc(C(=O)N2C[C@H](C(=O)[O-])[C@H](C)C2)sc1-c1ccc(F)cc1 ZINC000832860523 601707114 /nfs/dbraw/zinc/70/71/14/601707114.db2.gz GDLLNBARUPQSNI-RISCZKNCSA-N -1 0 347.411 3.655 20 0 EHADRM CC(C)(CNC(=O)CCCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000236647583 601711142 /nfs/dbraw/zinc/71/11/42/601711142.db2.gz BZVDFPUZDMWHCG-UHFFFAOYSA-N -1 0 338.256 3.605 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000833031277 601713965 /nfs/dbraw/zinc/71/39/65/601713965.db2.gz HMYRXQJMJCFGQN-KGLIPLIRSA-N -1 0 334.368 3.741 20 0 EHADRM CCC1(CC)CCN(C(=O)c2ccccc2S[C@H](C)C(=O)[O-])C1 ZINC000829056183 601717425 /nfs/dbraw/zinc/71/74/25/601717425.db2.gz SYFNGNLDMSHIKS-CYBMUJFWSA-N -1 0 335.469 3.904 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@@H]2CCCc3ccccc32)cc1F ZINC000833316104 601721637 /nfs/dbraw/zinc/72/16/37/601721637.db2.gz PVJMQLJYEZSSLZ-OAHLLOKOSA-N -1 0 328.339 3.687 20 0 EHADRM COc1cc(Cl)ccc1C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000832004255 601725787 /nfs/dbraw/zinc/72/57/87/601725787.db2.gz MQZAUUDZTLNGHW-UHFFFAOYSA-N -1 0 338.718 3.543 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1nccc2ccccc21 ZINC000833032101 601726171 /nfs/dbraw/zinc/72/61/71/601726171.db2.gz ZHICFZJEOPYWLM-UHFFFAOYSA-N -1 0 327.361 3.660 20 0 EHADRM Cc1ccccc1CC1CN(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)C1 ZINC000832980824 601731521 /nfs/dbraw/zinc/73/15/21/601731521.db2.gz MVLPZNGCHKSAGM-UHFFFAOYSA-N -1 0 338.407 3.708 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cccc2[nH]ccc21)c1ccc(Cl)cc1 ZINC000537412477 601732075 /nfs/dbraw/zinc/73/20/75/601732075.db2.gz VINFQEOGDWPRHS-INIZCTEOSA-N -1 0 342.782 3.767 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1cccc(F)c1Cl ZINC000833033483 601732641 /nfs/dbraw/zinc/73/26/41/601732641.db2.gz WIIBPRBAFHTNOR-UHFFFAOYSA-N -1 0 328.748 3.904 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@H]2CCSc3ccccc32)cc1F ZINC000833315796 601732699 /nfs/dbraw/zinc/73/26/99/601732699.db2.gz FTGDTXBEGKZJJX-ZDUSSCGKSA-N -1 0 346.379 3.847 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000829014474 601732976 /nfs/dbraw/zinc/73/29/76/601732976.db2.gz IXAOTLNOBVPCSH-KRWDZBQOSA-N -1 0 346.354 3.733 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc(Cl)ccc1Cl)c1ccccc1F ZINC000678985013 601737279 /nfs/dbraw/zinc/73/72/79/601737279.db2.gz AALNQQAECUJJAQ-ZDUSSCGKSA-N -1 0 342.153 3.688 20 0 EHADRM O=C([O-])[C@H](NC(=O)Cc1c[nH]c2ccc(Cl)cc12)C1CCCCC1 ZINC000833116672 601749410 /nfs/dbraw/zinc/74/94/10/601749410.db2.gz MMGLZWZVBWQKHL-QGZVFWFLSA-N -1 0 348.830 3.514 20 0 EHADRM CC[C@@H](NC(=O)CSc1cccc2cccc(Cl)c21)C(=O)[O-] ZINC000567326943 601754470 /nfs/dbraw/zinc/75/44/70/601754470.db2.gz IHOZYTGSLBWTLW-GFCCVEGCSA-N -1 0 337.828 3.565 20 0 EHADRM CC[C@H](NC(=O)CSc1cccc2cccc(Cl)c21)C(=O)[O-] ZINC000828939334 601754760 /nfs/dbraw/zinc/75/47/60/601754760.db2.gz IHOZYTGSLBWTLW-LBPRGKRZSA-N -1 0 337.828 3.565 20 0 EHADRM C[C@@H](C(=O)N[C@H](C(=O)[O-])C1CCCCC1)c1ccc(Cl)s1 ZINC000621585504 601755645 /nfs/dbraw/zinc/75/56/45/601755645.db2.gz BYWIDVCDJAZITI-RNCFNFMXSA-N -1 0 329.849 3.655 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000833289034 601756134 /nfs/dbraw/zinc/75/61/34/601756134.db2.gz ZNJIIDAGSOCPCE-WDEREUQCSA-N -1 0 344.333 3.875 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3)cc2)C[C@@H]1C(=O)[O-] ZINC000327546290 601769649 /nfs/dbraw/zinc/76/96/49/601769649.db2.gz CXWUBRUQPQEVQY-DYVFJYSZSA-N -1 0 340.379 3.663 20 0 EHADRM Cc1cc(CCCC(=O)N2CCc3cc(C(=O)[O-])ccc32)c(C)s1 ZINC000776595951 601800973 /nfs/dbraw/zinc/80/09/73/601800973.db2.gz UYDNJTUPVVEIJG-UHFFFAOYSA-N -1 0 343.448 3.975 20 0 EHADRM Cn1c(SCc2ccsc2C(=O)[O-])nnc1-c1ccccc1 ZINC000833041266 601806277 /nfs/dbraw/zinc/80/62/77/601806277.db2.gz PCYODDHFFWQWNA-UHFFFAOYSA-N -1 0 331.422 3.534 20 0 EHADRM Cc1nnc(SCc2ccsc2C(=O)[O-])n1Cc1ccccc1 ZINC000833021130 601807282 /nfs/dbraw/zinc/80/72/82/601807282.db2.gz ILQXFTNFKZMHML-UHFFFAOYSA-N -1 0 345.449 3.687 20 0 EHADRM Cc1ccc(C=Cc2nc(SCc3ccsc3C(=O)[O-])n[nH]2)o1 ZINC000832927734 601808915 /nfs/dbraw/zinc/80/89/15/601808915.db2.gz ATNAXXYJUFPWIC-PLNGDYQASA-N -1 0 347.421 3.929 20 0 EHADRM Cc1cc(CCCC(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)c(C)s1 ZINC000262097658 601810266 /nfs/dbraw/zinc/81/02/66/601810266.db2.gz HCXJJZURBLJBPX-UHFFFAOYSA-N -1 0 349.452 3.946 20 0 EHADRM O=C([O-])c1ccc(CS[C@H]2CCN(c3ccccc3)C2=O)cc1F ZINC000833316372 601814869 /nfs/dbraw/zinc/81/48/69/601814869.db2.gz CHDQTHXNERQLKP-INIZCTEOSA-N -1 0 345.395 3.563 20 0 EHADRM O=C([O-])c1cc(NCc2nccn2Cc2ccccc2)c(F)cc1F ZINC000833301302 601828470 /nfs/dbraw/zinc/82/84/70/601828470.db2.gz WOGNDUJFBWOLHH-UHFFFAOYSA-N -1 0 343.333 3.520 20 0 EHADRM O=C([O-])CCC1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000050926218 601842376 /nfs/dbraw/zinc/84/23/76/601842376.db2.gz QWQOTZPAVFHOBR-UHFFFAOYSA-N -1 0 344.224 3.665 20 0 EHADRM COc1ccc(-c2cncc(C(=O)Oc3cccc(C(=O)[O-])c3)c2)cc1 ZINC000832124670 601846035 /nfs/dbraw/zinc/84/60/35/601846035.db2.gz XBRFASZLUBLWQG-UHFFFAOYSA-N -1 0 349.342 3.675 20 0 EHADRM CC(C)[C@@H](NC(=O)NCc1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000826700009 601848612 /nfs/dbraw/zinc/84/86/12/601848612.db2.gz MTSKHSYMAZZKGO-QGZVFWFLSA-N -1 0 344.386 3.720 20 0 EHADRM O=C([O-])c1ccc(COc2ccc(F)cc2Br)s1 ZINC000109600262 601848987 /nfs/dbraw/zinc/84/89/87/601848987.db2.gz MXZWKXVGJNFWGF-UHFFFAOYSA-N -1 0 331.162 3.927 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)C1CCC(NC(=O)[O-])CC1 ZINC000740096309 601852221 /nfs/dbraw/zinc/85/22/21/601852221.db2.gz CUOFMYOOAXRMCA-PIMMBPRGSA-N -1 0 348.443 3.544 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)N[C@H]2CCc3cc(Cl)ccc32)c1 ZINC000833146132 601858755 /nfs/dbraw/zinc/85/87/55/601858755.db2.gz WYJYPPXKDZVUBX-INIZCTEOSA-N -1 0 344.798 3.525 20 0 EHADRM C[C@@H]1CN(c2nc(Cl)c(C(=O)[O-])s2)C[C@H](c2ccsc2)O1 ZINC000828500642 601859619 /nfs/dbraw/zinc/85/96/19/601859619.db2.gz VUJFKYZSWHZJAN-VXNVDRBHSA-N -1 0 344.845 3.523 20 0 EHADRM Cc1ccc(-c2cncc(C(=O)Oc3ccccc3CC(=O)[O-])c2)cc1 ZINC000832906975 601865912 /nfs/dbraw/zinc/86/59/12/601865912.db2.gz IRHLYOBIOSTANG-UHFFFAOYSA-N -1 0 347.370 3.903 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cncc(-c3ccccc3)c2)CCCCC1 ZINC000663120195 601868234 /nfs/dbraw/zinc/86/82/34/601868234.db2.gz TWYBJLQQVLOQRZ-UHFFFAOYSA-N -1 0 338.407 3.656 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N(CC(=O)[O-])C3CCCC3)[nH]c2c1 ZINC000827129807 601870068 /nfs/dbraw/zinc/87/00/68/601870068.db2.gz UKDHEHNLLSLQPH-UHFFFAOYSA-N -1 0 328.412 3.761 20 0 EHADRM Cc1cc(C(=O)Oc2ccc(SCC(=O)[O-])cc2)c(F)cc1F ZINC000832869638 601872246 /nfs/dbraw/zinc/87/22/46/601872246.db2.gz HOMLQUDDBNNQBJ-UHFFFAOYSA-N -1 0 338.331 3.669 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)C[C@H]2CCc3ccccc32)cc1 ZINC000833264737 601874821 /nfs/dbraw/zinc/87/48/21/601874821.db2.gz WWBGSNZAQLBPDN-CQSZACIVSA-N -1 0 342.416 3.889 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)CCCc2ccccc2)cc1 ZINC000833264208 601879254 /nfs/dbraw/zinc/87/92/54/601879254.db2.gz HBAQMQTXQIXDIV-UHFFFAOYSA-N -1 0 330.405 3.792 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)c1ccccc1C(F)(F)F ZINC000833130854 601902360 /nfs/dbraw/zinc/90/23/60/601902360.db2.gz ZRYKXZCLRDMGKO-OCCSQVGLSA-N -1 0 343.345 3.859 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)c1cccc(C(F)F)c1 ZINC000263534218 601904063 /nfs/dbraw/zinc/90/40/63/601904063.db2.gz NTZNNSCAKUEARU-KGLIPLIRSA-N -1 0 325.355 3.778 20 0 EHADRM CCN(C(=O)CNc1cccc(C(=O)[O-])c1)[C@@H](C)c1ccc(F)cc1 ZINC000829597604 601905642 /nfs/dbraw/zinc/90/56/42/601905642.db2.gz RFRZSDANCQDXNN-ZDUSSCGKSA-N -1 0 344.386 3.546 20 0 EHADRM COc1ccc(C(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])c(Cl)c1 ZINC000832169893 601911763 /nfs/dbraw/zinc/91/17/63/601911763.db2.gz WGSXZPWWZJQBDB-ZFWWWQNUSA-N -1 0 339.819 3.502 20 0 EHADRM CCSCc1ccc(C(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC000344441229 601927629 /nfs/dbraw/zinc/92/76/29/601927629.db2.gz KUAVQTCHTGMXFE-UHFFFAOYSA-N -1 0 329.421 3.568 20 0 EHADRM CC(C)COCCC(=O)O[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000826900707 601932421 /nfs/dbraw/zinc/93/24/21/601932421.db2.gz QLMVUSRMZDPPDU-CQSZACIVSA-N -1 0 349.210 3.725 20 0 EHADRM O=C([O-])c1ccc(OC(=O)/C=C\SCc2ccco2)c(Cl)c1 ZINC000833092930 601973119 /nfs/dbraw/zinc/97/31/19/601973119.db2.gz PJAJPFLDXHMPMO-ALCCZGGFSA-N -1 0 338.768 3.984 20 0 EHADRM C[C@@H](CN(C)C(=O)Cc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000738911081 601990167 /nfs/dbraw/zinc/99/01/67/601990167.db2.gz YKMNEZAJCUHGPL-AWEZNQCLSA-N -1 0 326.396 3.581 20 0 EHADRM CCCCOc1ccc(NC(=O)N2CC[C@@](C)(C(=O)[O-])C2)c(C)c1 ZINC000263501144 601990174 /nfs/dbraw/zinc/99/01/74/601990174.db2.gz SZMVFFGCDLKPGM-GOSISDBHSA-N -1 0 334.416 3.502 20 0 EHADRM O=C([O-])Nc1cc(C(=O)NC[C@H]2CC=CCC2)cc(C(F)(F)F)c1 ZINC000833282294 601991186 /nfs/dbraw/zinc/99/11/86/601991186.db2.gz XFNVAPRSHFTTKU-JTQLQIEISA-N -1 0 342.317 3.881 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)Cc2cc(Cl)ccc2Cl)cn1 ZINC000740709829 601992032 /nfs/dbraw/zinc/99/20/32/601992032.db2.gz SHLCWCAFFNVUJD-UHFFFAOYSA-N -1 0 340.166 3.660 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)Nc2ccc3nc(C4CC4)sc3c2)C1 ZINC000263459072 601992170 /nfs/dbraw/zinc/99/21/70/601992170.db2.gz CZWVBCHGKVCNKV-QGZVFWFLSA-N -1 0 345.424 3.502 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)Nc2ccc(OC3CCCCC3)cc2)C1 ZINC000573308513 601995443 /nfs/dbraw/zinc/99/54/43/601995443.db2.gz PMLHOIMYBYRQCM-LJQANCHMSA-N -1 0 346.427 3.727 20 0 EHADRM Cc1ccc(C)c(C(=O)CCC(=O)OCc2ccc(C(=O)[O-])s2)c1 ZINC000832924149 601995790 /nfs/dbraw/zinc/99/57/90/601995790.db2.gz HFRCVTOGXYVUHT-UHFFFAOYSA-N -1 0 346.404 3.769 20 0 EHADRM COc1cc(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])ccc1F ZINC000327543264 601999808 /nfs/dbraw/zinc/99/98/08/601999808.db2.gz VTUWBACWTGSWNK-UHFFFAOYSA-N -1 0 339.322 3.938 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)CCCc2csc3ccccc23)C1 ZINC000237640593 602000072 /nfs/dbraw/zinc/00/00/72/602000072.db2.gz GHUYONNZUCZXDN-SFHVURJKSA-N -1 0 331.437 3.547 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)CCCSc2ccc(Cl)cc2)C1 ZINC000237523031 602002871 /nfs/dbraw/zinc/00/28/71/602002871.db2.gz NYHLZRFMTXHVIY-MRXNPFEDSA-N -1 0 341.860 3.536 20 0 EHADRM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1C(=O)c1cc2sccc2s1 ZINC000739000333 602006219 /nfs/dbraw/zinc/00/62/19/602006219.db2.gz HRPCWIKLPFWWTP-UWVGGRQHSA-N -1 0 338.454 3.614 20 0 EHADRM CCC[C@H](C)CC(=O)N(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000829208026 602013560 /nfs/dbraw/zinc/01/35/60/602013560.db2.gz HQDSMYWKVGJGHA-VFZGTOFNSA-N -1 0 331.334 3.514 20 0 EHADRM Cc1cc(Cl)cc(C(=O)NCCc2ccc(NC(=O)[O-])cc2)c1 ZINC000832885960 602015644 /nfs/dbraw/zinc/01/56/44/602015644.db2.gz UNGPLMJEKWFDIA-UHFFFAOYSA-N -1 0 332.787 3.711 20 0 EHADRM CC1(C)CCN(C(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000828069370 602021418 /nfs/dbraw/zinc/02/14/18/602021418.db2.gz WRQCWVCJOSENKM-UHFFFAOYSA-N -1 0 330.306 3.667 20 0 EHADRM CCS[C@H]1CC[C@H](N(C)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)C1 ZINC000830150496 602039153 /nfs/dbraw/zinc/03/91/53/602039153.db2.gz PTKNETYLCGZMCT-KBPBESRZSA-N -1 0 336.457 3.831 20 0 EHADRM O=C(/C=C\SCc1ccco1)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000776681426 602050134 /nfs/dbraw/zinc/05/01/34/602050134.db2.gz FVTWOWVNYYBYKS-UBGRJXSISA-N -1 0 337.441 3.566 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1cc(C)c(F)cc1Cl ZINC000832523607 602052250 /nfs/dbraw/zinc/05/22/50/602052250.db2.gz LKWQQGVXKSAAQG-UHFFFAOYSA-N -1 0 338.718 3.714 20 0 EHADRM C[C@@H](NC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccc(C(C)(C)C)cc1 ZINC000263142534 602061242 /nfs/dbraw/zinc/06/12/42/602061242.db2.gz ZYBPQJCPLXMIGI-YJYMSZOUSA-N -1 0 332.444 3.551 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000237524669 602067590 /nfs/dbraw/zinc/06/75/90/602067590.db2.gz XETGHYZNGFPEGD-ZDUSSCGKSA-N -1 0 329.421 3.574 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)/C=C/c2ccc3ccccc3n2)c1 ZINC000492198870 602069036 /nfs/dbraw/zinc/06/90/36/602069036.db2.gz OSJVZTNRHRXBDQ-ZHACJKMWSA-N -1 0 332.359 3.514 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000583788947 602070088 /nfs/dbraw/zinc/07/00/88/602070088.db2.gz JTYIUMAAQJCDJL-CYBMUJFWSA-N -1 0 327.380 3.743 20 0 EHADRM Cc1coc(-c2cc(NC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)ccc2C)n1 ZINC000832987313 602083039 /nfs/dbraw/zinc/08/30/39/602083039.db2.gz DUBLPBLGDLFZDQ-UONOGXRCSA-N -1 0 342.395 3.788 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000325874162 602085933 /nfs/dbraw/zinc/08/59/33/602085933.db2.gz KOHVWSNGRIERDA-UHFFFAOYSA-N -1 0 349.730 3.519 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)N1CCC[C@@H]1c1ccccc1 ZINC000833224585 602093629 /nfs/dbraw/zinc/09/36/29/602093629.db2.gz CNIDSKUOBCVQIE-QGZVFWFLSA-N -1 0 332.444 3.958 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000833224663 602095614 /nfs/dbraw/zinc/09/56/14/602095614.db2.gz NBISFIUYUQSRQM-IBGZPJMESA-N -1 0 336.476 3.944 20 0 EHADRM CSCc1ccc(NC(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000738145760 602100934 /nfs/dbraw/zinc/10/09/34/602100934.db2.gz DTGKFXVZSBOPHS-UHFFFAOYSA-N -1 0 330.409 3.821 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000827274363 602102124 /nfs/dbraw/zinc/10/21/24/602102124.db2.gz XGVXUOJDIJCPNG-YVEFUNNKSA-N -1 0 331.799 3.656 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NCCCn2ccc3ccccc32)cc1 ZINC000738661304 602127293 /nfs/dbraw/zinc/12/72/93/602127293.db2.gz SACZOCVCUNDSFU-UHFFFAOYSA-N -1 0 337.379 3.551 20 0 EHADRM C[C@@H](Nc1ccc(N(C)C(=O)[O-])cc1)c1cn(-c2ccccc2)nn1 ZINC000827773393 602130038 /nfs/dbraw/zinc/13/00/38/602130038.db2.gz KQFFNFJWZBEPJS-CYBMUJFWSA-N -1 0 337.383 3.555 20 0 EHADRM CCC[C@](C)(NC(=O)[O-])C(=O)Nc1ccc(-c2nc(C)c(C)o2)cc1 ZINC000739303877 602134753 /nfs/dbraw/zinc/13/47/53/602134753.db2.gz RYOSBPFVGOZIKF-SFHVURJKSA-N -1 0 345.399 3.723 20 0 EHADRM C[C@H](Sc1nnc(-c2cccs2)n1Cc1ccccc1)C(=O)[O-] ZINC000739053846 602142345 /nfs/dbraw/zinc/14/23/45/602142345.db2.gz UGCQISHRNUFZMU-NSHDSACASA-N -1 0 345.449 3.620 20 0 EHADRM O=C([O-])c1cnc(N(C(=O)c2ccc3sccc3c2)C2CC2)s1 ZINC000833338448 602155136 /nfs/dbraw/zinc/15/51/36/602155136.db2.gz PRMUHSJKBYBVJO-UHFFFAOYSA-N -1 0 344.417 3.865 20 0 EHADRM CCS[C@H](C)c1noc(COc2cc(C)sc2C(=O)[O-])n1 ZINC000830149112 602159126 /nfs/dbraw/zinc/15/91/26/602159126.db2.gz DJRGUPHGVMZNRV-MRVPVSSYSA-N -1 0 328.415 3.531 20 0 EHADRM CCS[C@H](C)c1noc(CNc2ccc(CCC(=O)[O-])cc2)n1 ZINC000830151545 602161844 /nfs/dbraw/zinc/16/18/44/602161844.db2.gz ZXXGHFOEXCNEAD-LLVKDONJSA-N -1 0 335.429 3.513 20 0 EHADRM Cc1ccc(SCC(F)(F)F)c(NC(=O)[C@H](C)CC(=O)[O-])c1 ZINC000832957583 602168203 /nfs/dbraw/zinc/16/82/03/602168203.db2.gz MVXYHQXHEZMDSM-SECBINFHSA-N -1 0 335.347 3.699 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)c2cn(C)c3ccccc23)c1 ZINC000739917336 602173013 /nfs/dbraw/zinc/17/30/13/602173013.db2.gz IZSAMAQAOZJPCG-UHFFFAOYSA-N -1 0 339.351 3.529 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)CCCOc1cccc(F)c1 ZINC000740714116 602174447 /nfs/dbraw/zinc/17/44/47/602174447.db2.gz ISAVZSRSBVINHQ-UHFFFAOYSA-N -1 0 332.331 3.713 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)CCC(=O)c1ccc(F)cc1F ZINC000740714309 602174557 /nfs/dbraw/zinc/17/45/57/602174557.db2.gz MDXJPQXROGKNIK-UHFFFAOYSA-N -1 0 348.305 3.656 20 0 EHADRM Cc1oc(CN(C)C(=O)c2ccc(-c3ccco3)s2)cc1C(=O)[O-] ZINC000833025679 602178380 /nfs/dbraw/zinc/17/83/80/602178380.db2.gz PBPHGBGVOUWHGZ-UHFFFAOYSA-N -1 0 345.376 3.880 20 0 EHADRM CC(C)OCc1ccc(C(=O)Nc2ccccc2NC(=O)[O-])cc1 ZINC000738863405 602179293 /nfs/dbraw/zinc/17/92/93/602179293.db2.gz LWHCALNJYKZWBG-UHFFFAOYSA-N -1 0 328.368 3.954 20 0 EHADRM COc1ccc2nc(C)c(C(=O)Nc3cc(C(=O)[O-])cs3)cc2c1 ZINC000762136086 602181634 /nfs/dbraw/zinc/18/16/34/602181634.db2.gz BUXSQLKNNOVPPY-UHFFFAOYSA-N -1 0 342.376 3.564 20 0 EHADRM Cc1ccc(-c2nc(CC(=O)Nc3cc(C(=O)[O-])cs3)cs2)o1 ZINC000191378390 602184697 /nfs/dbraw/zinc/18/46/97/602184697.db2.gz YAMPLPGAZYRQBV-UHFFFAOYSA-N -1 0 348.405 3.652 20 0 EHADRM COc1ccc(C(=O)Nc2cc(C(=O)[O-])cs2)c2ccccc12 ZINC000191369895 602186760 /nfs/dbraw/zinc/18/67/60/602186760.db2.gz LTQVQDJXQQKRIG-UHFFFAOYSA-N -1 0 327.361 3.860 20 0 EHADRM O=C([O-])c1csc(NC(=O)CCOc2ccc(F)cc2Cl)c1 ZINC000191348303 602188546 /nfs/dbraw/zinc/18/85/46/602188546.db2.gz UOKTXGXRYCCOMV-UHFFFAOYSA-N -1 0 343.763 3.646 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(-c2ccco2)s1 ZINC000833180353 602190137 /nfs/dbraw/zinc/19/01/37/602190137.db2.gz BZNLPTAVMHANHL-UPJWGTAASA-N -1 0 345.420 3.866 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)OCc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000827341551 602196038 /nfs/dbraw/zinc/19/60/38/602196038.db2.gz HKTJDWSMFPQCLB-NSHDSACASA-N -1 0 349.770 3.681 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)Nc2cccc(CNC(=O)[O-])c2)cc1 ZINC000739544598 602198870 /nfs/dbraw/zinc/19/88/70/602198870.db2.gz KBUBNKFDSLZWPA-CYBMUJFWSA-N -1 0 326.396 3.759 20 0 EHADRM COc1cccc(C2(NC(=O)Nc3cccc(C(=O)[O-])c3C)CC2)c1 ZINC000832540462 602200283 /nfs/dbraw/zinc/20/02/83/602200283.db2.gz OBZWOLCPILGSDQ-UHFFFAOYSA-N -1 0 340.379 3.513 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)CCOc2cccc(Cl)c2)c1 ZINC000740677282 602200367 /nfs/dbraw/zinc/20/03/67/602200367.db2.gz ZMNPWMDHRKLJCK-UHFFFAOYSA-N -1 0 348.786 3.515 20 0 EHADRM CCC[C@H](C(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccccc1 ZINC000739285874 602202285 /nfs/dbraw/zinc/20/22/85/602202285.db2.gz WTBQUDGZNRJLAD-KRWDZBQOSA-N -1 0 326.396 3.977 20 0 EHADRM CCC[C@@](C)(NC(=O)[O-])C(=O)OCc1coc(-c2ccc(C)cc2)n1 ZINC000739295100 602219972 /nfs/dbraw/zinc/21/99/72/602219972.db2.gz FOMHOLKIUWAGQY-GOSISDBHSA-N -1 0 346.383 3.520 20 0 EHADRM CC(C)(C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])c1ccccc1F ZINC000738661267 602237073 /nfs/dbraw/zinc/23/70/73/602237073.db2.gz GDXQHHRYBBSRDO-UHFFFAOYSA-N -1 0 342.370 3.783 20 0 EHADRM Cn1c(SCc2occc2C(=O)[O-])nnc1-c1cccc(Cl)c1 ZINC000833041870 602243615 /nfs/dbraw/zinc/24/36/15/602243615.db2.gz YEJBQVPTXHZHLZ-UHFFFAOYSA-N -1 0 349.799 3.719 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)[C@@H]2CC=CCC2)c2ccccc12 ZINC000237960882 602260555 /nfs/dbraw/zinc/26/05/55/602260555.db2.gz DYYAMVUENWGHJW-CYBMUJFWSA-N -1 0 325.364 3.598 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2cccc(F)c2)c2ccccc12 ZINC000237966195 602263527 /nfs/dbraw/zinc/26/35/27/602263527.db2.gz KHXKCLXRRHWICE-UHFFFAOYSA-N -1 0 339.322 3.695 20 0 EHADRM C[C@@H](COc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000827524671 602270726 /nfs/dbraw/zinc/27/07/26/602270726.db2.gz KDJZDPMGMNVEQH-BLLLJJGKSA-N -1 0 348.782 3.724 20 0 EHADRM C[C@@H]1CCC[C@H](N(C)C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])C1 ZINC000739089480 602275500 /nfs/dbraw/zinc/27/55/00/602275500.db2.gz FUZYTODGRXNEOP-DOMZBBRYSA-N -1 0 331.416 3.770 20 0 EHADRM C[C@@H](c1ccco1)N(C)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739057979 602277475 /nfs/dbraw/zinc/27/74/75/602277475.db2.gz FPHMPRXXXJLLGB-NSHDSACASA-N -1 0 329.356 3.545 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])cc1 ZINC000740114619 602278034 /nfs/dbraw/zinc/27/80/34/602278034.db2.gz SQMVOHJFOHYOLO-ZDUSSCGKSA-N -1 0 339.395 3.918 20 0 EHADRM CC[C@](C)(NC(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)C(=O)[O-] ZINC000776619414 602295213 /nfs/dbraw/zinc/29/52/13/602295213.db2.gz YQXGPCMMJNHVKD-ZHZWZMEUSA-N -1 0 349.736 3.655 20 0 EHADRM CC(C)[C@H](NC(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)C(=O)[O-] ZINC000776590214 602295216 /nfs/dbraw/zinc/29/52/16/602295216.db2.gz DCCLXJCEZGBQDP-HJTPGIPUSA-N -1 0 349.736 3.511 20 0 EHADRM C[C@H]1CC[C@H](CC(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)C1 ZINC000828220762 602303574 /nfs/dbraw/zinc/30/35/74/602303574.db2.gz DGHFLYPXPKMFOD-STQMWFEESA-N -1 0 340.423 3.577 20 0 EHADRM O=C([O-])c1ccc(NCc2nnc(-c3ccc(Cl)cc3)o2)cc1F ZINC000833320815 602305476 /nfs/dbraw/zinc/30/54/76/602305476.db2.gz NFZNZASEEJWKLW-UHFFFAOYSA-N -1 0 347.733 3.839 20 0 EHADRM Cc1ccc(CC(=O)N[C@H](CC(=O)[O-])c2cccs2)c(Cl)c1 ZINC000832930595 602311153 /nfs/dbraw/zinc/31/11/53/602311153.db2.gz XWJQLVOOLCWRAK-CYBMUJFWSA-N -1 0 337.828 3.585 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)C[C@@H]2CC[C@@H](C)C2)cc1 ZINC000832777563 602311633 /nfs/dbraw/zinc/31/16/33/602311633.db2.gz SFGHBUYQOLUIGM-IOASZLSFSA-N -1 0 335.469 3.867 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)cc1 ZINC000833290444 602341668 /nfs/dbraw/zinc/34/16/68/602341668.db2.gz SUMZINWKROXZQB-UHFFFAOYSA-N -1 0 341.298 3.823 20 0 EHADRM CC(C)C[C@@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000826832290 602351076 /nfs/dbraw/zinc/35/10/76/602351076.db2.gz OLQNWCXUUJIUPU-NSHDSACASA-N -1 0 340.370 3.953 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)CC1CCSCC1 ZINC000678982790 602352673 /nfs/dbraw/zinc/35/26/73/602352673.db2.gz SOPUCCSZUJVSTQ-UHFFFAOYSA-N -1 0 349.477 3.749 20 0 EHADRM O=C([O-])c1ccc(NC(=O)COc2ccc3ccccc3c2)cc1F ZINC000767200673 602353262 /nfs/dbraw/zinc/35/32/62/602353262.db2.gz RGZIYXAEWDURNE-UHFFFAOYSA-N -1 0 339.322 3.695 20 0 EHADRM CC[C@H](NC(=O)[O-])C(=O)Nc1ccccc1SCc1ccccc1 ZINC000739531649 602355252 /nfs/dbraw/zinc/35/52/52/602355252.db2.gz SRUUULQISKJJFO-AWEZNQCLSA-N -1 0 344.436 3.964 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cc1F ZINC000391613345 602356902 /nfs/dbraw/zinc/35/69/02/602356902.db2.gz DVFQBJMBZACKJN-IUCAKERBSA-N -1 0 333.281 3.831 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000767201767 602357278 /nfs/dbraw/zinc/35/72/78/602357278.db2.gz UIJKVCDALGESCW-NSHDSACASA-N -1 0 331.343 3.665 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000767207391 602360027 /nfs/dbraw/zinc/36/00/27/602360027.db2.gz PFOWUNDEWVGYKS-PKNBQFBNSA-N -1 0 329.327 3.575 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N[C@@H]2COc3ccc(Cl)cc32)cc1 ZINC000833288922 602364073 /nfs/dbraw/zinc/36/40/73/602364073.db2.gz BCBCWEJMPWCQLZ-CYBMUJFWSA-N -1 0 347.758 3.685 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H]2CCSc3ccccc32)cc1F ZINC000833153593 602369594 /nfs/dbraw/zinc/36/95/94/602369594.db2.gz NETYULDYGOFUAY-AWEZNQCLSA-N -1 0 346.383 3.883 20 0 EHADRM C[C@H](NC(=O)C1CCC(NC(=O)[O-])CC1)c1ccc(C(C)(C)C)cc1 ZINC000738954331 602380585 /nfs/dbraw/zinc/38/05/85/602380585.db2.gz LATNQTUDORQZEE-KTAKPFMOSA-N -1 0 346.471 3.988 20 0 EHADRM CCC[C@H](NC(=O)[O-])C(=O)N(C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000739302127 602381885 /nfs/dbraw/zinc/38/18/85/602381885.db2.gz IBMHQLMSUVFGKL-MFKMUULPSA-N -1 0 346.349 3.661 20 0 EHADRM CCN(C(=O)Nc1ccc(C(=O)[O-])c(F)c1)[C@@H](C)c1cccc(O)c1 ZINC000829596699 602382691 /nfs/dbraw/zinc/38/26/91/602382691.db2.gz APPPVMAOBOQVTA-NSHDSACASA-N -1 0 346.358 3.845 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CC[C@H](c3cccc(F)c3)C2)cc1F ZINC000833320569 602383634 /nfs/dbraw/zinc/38/36/34/602383634.db2.gz YSCDWWXUGJDHKR-LBPRGKRZSA-N -1 0 346.333 3.684 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)o1 ZINC000828200989 602386836 /nfs/dbraw/zinc/38/68/36/602386836.db2.gz MWZCEDRRAQXGNY-NOZJJQNGSA-N -1 0 332.331 3.562 20 0 EHADRM CC(C)c1cccc(C(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])n1 ZINC000827129848 602391340 /nfs/dbraw/zinc/39/13/40/602391340.db2.gz XKPSODKOGOVATB-CRAIPNDOSA-N -1 0 344.455 3.701 20 0 EHADRM Cc1ccc(-c2nc(C(=O)N(CC(=O)[O-])C3CCCC3)cs2)cc1 ZINC000832907030 602399189 /nfs/dbraw/zinc/39/91/89/602399189.db2.gz FAOQGGHNARGWAK-UHFFFAOYSA-N -1 0 344.436 3.588 20 0 EHADRM Cc1ccc(Cl)c(NC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)c1 ZINC000191562605 602401798 /nfs/dbraw/zinc/40/17/98/602401798.db2.gz XWNBIGZSYDFFIN-UHFFFAOYSA-N -1 0 347.798 3.981 20 0 EHADRM CCCCc1ccc(C(=O)N2CCC([C@H](C)NC(=O)[O-])CC2)cc1 ZINC000739341881 602404103 /nfs/dbraw/zinc/40/41/03/602404103.db2.gz ONPRJACYIVPDQQ-AWEZNQCLSA-N -1 0 332.444 3.538 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc([C@H]2Cc3ccccc3S2)n1 ZINC000738817020 602407786 /nfs/dbraw/zinc/40/77/86/602407786.db2.gz NXJZZKVAIFVFJX-DGCLKSJQSA-N -1 0 333.413 3.814 20 0 EHADRM COc1ccc([C@@H](C)c2nc([C@@H](CC(C)C)NC(=O)[O-])no2)cc1 ZINC000739894971 602409812 /nfs/dbraw/zinc/40/98/12/602409812.db2.gz GZKJMEVUNMNSDB-BXUZGUMPSA-N -1 0 333.388 3.585 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)c2nc(C3(NC(=O)[O-])CCC3)no2)c1 ZINC000738877390 602417597 /nfs/dbraw/zinc/41/75/97/602417597.db2.gz QHPRCIWKSGVSHV-LBPRGKRZSA-N -1 0 345.399 3.980 20 0 EHADRM Cc1c2cc(F)ccc2oc1-c1nc(C2(NC(=O)[O-])CCC2)no1 ZINC000740033131 602418615 /nfs/dbraw/zinc/41/86/15/602418615.db2.gz YLJXONPGJNOWPL-UHFFFAOYSA-N -1 0 331.303 3.577 20 0 EHADRM O=C([O-])NC1(c2noc([C@@H]3CCC[C@H](C(F)(F)F)C3)n2)CCC1 ZINC000740550492 602418923 /nfs/dbraw/zinc/41/89/23/602418923.db2.gz XUXRNSXTDKCSJF-BDAKNGLRSA-N -1 0 333.310 3.553 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)N[C@H](c2ccccc2)C2CC2)c1 ZINC000740678780 602451787 /nfs/dbraw/zinc/45/17/87/602451787.db2.gz WMCMRWIQLWUJBB-QGZVFWFLSA-N -1 0 339.395 3.727 20 0 EHADRM CCC(CC)(CNC(=O)[O-])NC(=O)c1cc(Cl)sc1Cl ZINC000739251240 602453713 /nfs/dbraw/zinc/45/37/13/602453713.db2.gz AUBIMYAOOBBGKS-UHFFFAOYSA-N -1 0 339.244 3.611 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)NCc1ccc(Cl)cc1)c1ccccc1 ZINC000740540382 602453827 /nfs/dbraw/zinc/45/38/27/602453827.db2.gz TXJISZPBIMMXIB-MRXNPFEDSA-N -1 0 346.814 3.745 20 0 EHADRM COc1ccc(C)cc1NC(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000739888275 602454223 /nfs/dbraw/zinc/45/42/23/602454223.db2.gz CMFXWPOQTQJCQU-HNNXBMFYSA-N -1 0 342.395 3.731 20 0 EHADRM C[C@H](NC(=O)CC[C@@H](NC(=O)[O-])c1ccccc1)c1cccs1 ZINC000738960863 602455144 /nfs/dbraw/zinc/45/51/44/602455144.db2.gz MXVYKYFDABPCHF-GXTWGEPZSA-N -1 0 332.425 3.714 20 0 EHADRM C[C@H](c1ccccc1)N(C)C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000739058741 602455680 /nfs/dbraw/zinc/45/56/80/602455680.db2.gz NACLVMVBYCJBLG-CRAIPNDOSA-N -1 0 340.423 3.995 20 0 EHADRM Cc1ccc(F)c(NC(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000740127121 602456144 /nfs/dbraw/zinc/45/61/44/602456144.db2.gz KHNZWGADGUEVOX-OAHLLOKOSA-N -1 0 330.359 3.862 20 0 EHADRM CCc1nc(NC(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)sc1C ZINC000739559842 602462085 /nfs/dbraw/zinc/46/20/85/602462085.db2.gz MICAYIKQCYHQHU-CQSZACIVSA-N -1 0 347.440 3.742 20 0 EHADRM CCC[C@@H](NC(=O)[O-])C(=O)Nc1cccc(Nc2nc(C)cs2)c1 ZINC000739323050 602464177 /nfs/dbraw/zinc/46/41/77/602464177.db2.gz RVTORLLVAHBMOU-CYBMUJFWSA-N -1 0 348.428 3.570 20 0 EHADRM Cc1ccc(N(C)C(=O)CC[C@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000740130359 602470664 /nfs/dbraw/zinc/47/06/64/602470664.db2.gz TWXQGODZUKXPJA-KRWDZBQOSA-N -1 0 326.396 3.747 20 0 EHADRM O=C([O-])Nc1cc(C(=O)NCc2c(F)cccc2Cl)ccc1F ZINC000740695846 602484281 /nfs/dbraw/zinc/48/42/81/602484281.db2.gz OENKXVXNRTWXMC-UHFFFAOYSA-N -1 0 340.713 3.638 20 0 EHADRM O=C([O-])Nc1cc(C(=O)NCC2(c3ccc(F)cc3)CC2)ccc1F ZINC000740696278 602485189 /nfs/dbraw/zinc/48/51/89/602485189.db2.gz PNHQITZSTSWXOP-UHFFFAOYSA-N -1 0 346.333 3.516 20 0 EHADRM O=C([O-])NC[C@H](NC(=O)c1ccc(C(F)F)cc1)C1CCCCC1 ZINC000740614561 602485634 /nfs/dbraw/zinc/48/56/34/602485634.db2.gz WUPQLTZVTQNXPK-AWEZNQCLSA-N -1 0 340.370 3.571 20 0 EHADRM CCCCS[C@@H](C)C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2 ZINC000739340804 602487879 /nfs/dbraw/zinc/48/78/79/602487879.db2.gz JGZNXZSEKXMGBA-LBPRGKRZSA-N -1 0 336.457 3.583 20 0 EHADRM CC(C)c1ccccc1OCCNC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736523983 602489082 /nfs/dbraw/zinc/48/90/82/602489082.db2.gz WTLXLYKQBZWLMC-UHFFFAOYSA-N -1 0 342.395 3.709 20 0 EHADRM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739051777 602499733 /nfs/dbraw/zinc/49/97/33/602499733.db2.gz BGVLNWJZALGHQH-JTQLQIEISA-N -1 0 334.759 3.836 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)CCc3ccccc3F)ccc21 ZINC000740360318 602507077 /nfs/dbraw/zinc/50/70/77/602507077.db2.gz MQSRJNSGPKLZBF-UHFFFAOYSA-N -1 0 342.370 3.828 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)c3cc(F)cc(F)c3)ccc21 ZINC000740466049 602507528 /nfs/dbraw/zinc/50/75/28/602507528.db2.gz WEIYLOKBRIOYQE-UHFFFAOYSA-N -1 0 332.306 3.648 20 0 EHADRM Cc1cc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])ccc1F ZINC000740058121 602510332 /nfs/dbraw/zinc/51/03/32/602510332.db2.gz DCIKZHKCFWXLEJ-UHFFFAOYSA-N -1 0 328.343 3.817 20 0 EHADRM CN(C(=O)[O-])C1CCN(C(=O)CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000737928600 602522090 /nfs/dbraw/zinc/52/20/90/602522090.db2.gz IQPXNEASJJLTMQ-UHFFFAOYSA-N -1 0 346.471 3.518 20 0 EHADRM CN(C(=O)[O-])C1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000737928294 602558055 /nfs/dbraw/zinc/55/80/55/602558055.db2.gz FGJJEIZBKLKGJO-UHFFFAOYSA-N -1 0 346.214 3.600 20 0 EHADRM Cc1cccc(NC(=O)N2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)c1C ZINC000740171716 602579751 /nfs/dbraw/zinc/57/97/51/602579751.db2.gz STPPOWUCQYLMAH-DOTOQJQBSA-N -1 0 345.443 3.690 20 0 EHADRM Cc1cccc(C)c1NC(=O)N[C@@H](CNC(=O)[O-])C1CCCCC1 ZINC000740166790 602597465 /nfs/dbraw/zinc/59/74/65/602597465.db2.gz OLTFJSUKSWOFSE-HNNXBMFYSA-N -1 0 333.432 3.641 20 0 EHADRM CC(C)(C)CNC(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000738698734 602598312 /nfs/dbraw/zinc/59/83/12/602598312.db2.gz USJMXIQZWXHHKV-UHFFFAOYSA-N -1 0 333.310 3.963 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NCc2ccoc2)c(C(F)(F)F)c1 ZINC000740711298 602598834 /nfs/dbraw/zinc/59/88/34/602598834.db2.gz XOSKEEGUHDYPBX-UHFFFAOYSA-N -1 0 343.261 3.710 20 0 EHADRM Cc1cc(C)cc(OCCNC(=O)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000740067515 602600383 /nfs/dbraw/zinc/60/03/83/602600383.db2.gz JJOLWDOYRCWFNA-UHFFFAOYSA-N -1 0 343.383 3.594 20 0 EHADRM CCOCCCC(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000739490853 602643385 /nfs/dbraw/zinc/64/33/85/602643385.db2.gz RBCNKJXSNGKNLU-UHFFFAOYSA-N -1 0 334.294 3.551 20 0 EHADRM C[C@@H](Cc1ccccc1)C(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000738946003 602656721 /nfs/dbraw/zinc/65/67/21/602656721.db2.gz DQPHAOZTKABIJN-AWEZNQCLSA-N -1 0 326.396 3.614 20 0 EHADRM C[C@@H](NC(=O)CC1CCN(C(=O)[O-])CC1)c1csc2ccccc21 ZINC000738961966 602675782 /nfs/dbraw/zinc/67/57/82/602675782.db2.gz ULUKACYTUXYUBY-GFCCVEGCSA-N -1 0 346.452 3.859 20 0 EHADRM COc1ccc(NC(=O)[C@@H](C)c2ccccc2F)cc1NC(=O)[O-] ZINC000739917943 602684530 /nfs/dbraw/zinc/68/45/30/602684530.db2.gz YXGQHIQBZVUSCM-JTQLQIEISA-N -1 0 332.331 3.666 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)[C@@H](C)c2ccccc2F)c1 ZINC000739921498 602685331 /nfs/dbraw/zinc/68/53/31/602685331.db2.gz MJEUHXRMMWKZMS-JTQLQIEISA-N -1 0 332.331 3.666 20 0 EHADRM Cc1cc(F)cc2c1N(C(=O)c1ccc(F)c(NC(=O)[O-])c1)CCC2 ZINC000740081230 602685581 /nfs/dbraw/zinc/68/55/81/602685581.db2.gz HOTKUMSUMKKUCW-UHFFFAOYSA-N -1 0 346.333 3.956 20 0 EHADRM C[C@@H](NC(=O)[O-])C1CCN(c2cc3ccccc3c(Cl)n2)CC1 ZINC000739015348 602686524 /nfs/dbraw/zinc/68/65/24/602686524.db2.gz AKLCHRQINVZNGM-LLVKDONJSA-N -1 0 333.819 3.761 20 0 EHADRM CCC[C@H](NC(=O)N1CCC([C@@H](C)NC(=O)[O-])CC1)c1ccccc1 ZINC000739301311 602692866 /nfs/dbraw/zinc/69/28/66/602692866.db2.gz DNHZNGWOLVFLLH-PBHICJAKSA-N -1 0 347.459 3.606 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000740714622 602696241 /nfs/dbraw/zinc/69/62/41/602696241.db2.gz VNBNCXAPFNTGTP-QWRGUYRKSA-N -1 0 332.306 3.797 20 0 EHADRM O=C([O-])NCc1nc(C(=O)N(c2ccccc2)C2CCCC2)cs1 ZINC000740681998 602704851 /nfs/dbraw/zinc/70/48/51/602704851.db2.gz LUPSRSKKNMRREW-UHFFFAOYSA-N -1 0 345.424 3.500 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)NCC[C@@H]1CCN(C(=O)[O-])C1 ZINC000740159843 602718093 /nfs/dbraw/zinc/71/80/93/602718093.db2.gz RSJJKMAPAGEWFD-CQSZACIVSA-N -1 0 333.432 3.630 20 0 EHADRM O=C([O-])N1CC[C@@H](CCNC(=S)Nc2ccc3ccccc3c2)C1 ZINC000740498351 602725866 /nfs/dbraw/zinc/72/58/66/602725866.db2.gz AKKWRBHLZMWGNK-CYBMUJFWSA-N -1 0 343.452 3.516 20 0 EHADRM CCN(Cc1ccccc1NC(=O)c1cc(C(C)=O)cs1)C(=O)[O-] ZINC000739442882 602731433 /nfs/dbraw/zinc/73/14/33/602731433.db2.gz NZQZRSUAQLVEQP-UHFFFAOYSA-N -1 0 346.408 3.703 20 0 EHADRM C[C@H]1CCCC[C@H]1OCC(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739103417 602750670 /nfs/dbraw/zinc/75/06/70/602750670.db2.gz ZZXZJTOWECJEDV-SUMWQHHRSA-N -1 0 346.427 3.651 20 0 EHADRM COc1ccc(N(C(=O)CCC(C)(C)NC(=O)[O-])[C@H](C)C2CC2)cc1 ZINC000739909669 602800369 /nfs/dbraw/zinc/80/03/69/602800369.db2.gz JMRUBPPCVQFBJA-CYBMUJFWSA-N -1 0 348.443 3.653 20 0 EHADRM CC(C)(CCC(=O)Nc1ccc(Oc2ccccc2)cn1)NC(=O)[O-] ZINC000738745509 602805227 /nfs/dbraw/zinc/80/52/27/602805227.db2.gz YPGNGUVSMBXBLX-UHFFFAOYSA-N -1 0 343.383 3.639 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)N1C2CCCC1CCC2)c1ccccc1 ZINC000740533637 602812622 /nfs/dbraw/zinc/81/26/22/602812622.db2.gz RDGNZDLOCMZINF-JCYILVPMSA-N -1 0 330.428 3.709 20 0 EHADRM CC[C@H](NC(=O)Cc1ccc(NC(=O)[O-])cc1)c1ccc(F)cc1F ZINC000739266085 602814914 /nfs/dbraw/zinc/81/49/14/602814914.db2.gz YPVBTSXRFBOMPT-INIZCTEOSA-N -1 0 348.349 3.865 20 0 EHADRM C[C@H](CC(=O)NCc1ccccc1-c1ccc(Cl)cc1)NC(=O)[O-] ZINC000824666111 602818810 /nfs/dbraw/zinc/81/88/10/602818810.db2.gz ZCSYXWKGYFKCDM-GFCCVEGCSA-N -1 0 346.814 3.669 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N(C)C2CCN(C(=O)[O-])CC2)cc1 ZINC000738874274 602822204 /nfs/dbraw/zinc/82/22/04/602822204.db2.gz ACLVCYSTEJERKW-OAHLLOKOSA-N -1 0 346.471 3.904 20 0 EHADRM Cc1ccc(CN(C)C(=O)[C@@H](C)[C@H](NC(=O)[O-])c2ccccc2)s1 ZINC000830302744 602839534 /nfs/dbraw/zinc/83/95/34/602839534.db2.gz NGMGURNWLZXFIB-BBRMVZONSA-N -1 0 346.452 3.660 20 0 EHADRM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)Nc1ccc(C(C)C)cc1 ZINC000739970284 602883120 /nfs/dbraw/zinc/88/31/20/602883120.db2.gz VQUNQRGANWYXJF-QGZVFWFLSA-N -1 0 342.395 3.766 20 0 EHADRM CC[C@H](c1ccncc1)N(C)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000736928722 602898979 /nfs/dbraw/zinc/89/89/79/602898979.db2.gz FAYNMRQOTMMYEO-OAHLLOKOSA-N -1 0 328.372 3.787 20 0 EHADRM CC[C@@H](C)[C@@H]1CCCCN1C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739235462 602899969 /nfs/dbraw/zinc/89/99/69/602899969.db2.gz JUSVFADNNPXRRJ-CJNGLKHVSA-N -1 0 333.432 3.887 20 0 EHADRM CC(C)CCc1ccccc1NC(=O)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000738819878 602917535 /nfs/dbraw/zinc/91/75/35/602917535.db2.gz JYIVTBASTRJKRB-ZBFHGGJFSA-N -1 0 347.459 3.785 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(C[C@H](C)c2cccc(F)c2)n1 ZINC000738817380 602949755 /nfs/dbraw/zinc/94/97/55/602949755.db2.gz QPKKYUJEDUJESA-FZMZJTMJSA-N -1 0 335.379 3.910 20 0 EHADRM CC(C)Oc1ccccc1CC(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000737643517 602960311 /nfs/dbraw/zinc/96/03/11/602960311.db2.gz AQCGYOKGAYBCKA-UHFFFAOYSA-N -1 0 329.352 3.712 20 0 EHADRM COc1cc(NC(=O)[C@@H](SC)c2ccccc2)ccc1NC(=O)[O-] ZINC000739869393 602961349 /nfs/dbraw/zinc/96/13/49/602961349.db2.gz XQWDMYQSUAZYHS-HNNXBMFYSA-N -1 0 346.408 3.828 20 0 EHADRM Cc1nc(C(F)(F)F)ccc1C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000738349560 602969304 /nfs/dbraw/zinc/96/93/04/602969304.db2.gz QSKIHHBPRUKVNP-UHFFFAOYSA-N -1 0 340.257 3.718 20 0 EHADRM CC(C)(CC(=O)Nc1cccc(COC2CCCCC2)c1)NC(=O)[O-] ZINC000738736185 602973330 /nfs/dbraw/zinc/97/33/30/602973330.db2.gz WUWQWKDDIPEAQQ-UHFFFAOYSA-N -1 0 348.443 3.911 20 0 EHADRM Cc1cccc([C@H](C)C(=O)Nc2ccccc2CN(C)C(=O)[O-])c1 ZINC000740156895 602973407 /nfs/dbraw/zinc/97/34/07/602973407.db2.gz FDRHZHXFISMMTN-AWEZNQCLSA-N -1 0 326.396 3.847 20 0 EHADRM CCN(CC(=O)Nc1ccc(OCc2ccccc2)cc1C)C(=O)[O-] ZINC000739396035 602979421 /nfs/dbraw/zinc/97/94/21/602979421.db2.gz NHFDVFYNJCEEGQ-UHFFFAOYSA-N -1 0 342.395 3.512 20 0 EHADRM CC[C@H](C)[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccccc1 ZINC000739222161 603004755 /nfs/dbraw/zinc/00/47/55/603004755.db2.gz DXPJSHCYZMYQBE-FRKNIRMPSA-N -1 0 344.455 3.606 20 0 EHADRM CC[C@@H](c1ccncc1)N(CC)C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739265033 603009277 /nfs/dbraw/zinc/00/92/77/603009277.db2.gz OBONUYQCPFBGNR-INIZCTEOSA-N -1 0 345.374 3.924 20 0 EHADRM C[C@@H](C(=O)NC[C@@H](NC(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC000738626802 603020897 /nfs/dbraw/zinc/02/08/97/603020897.db2.gz WNNPOLGQPRCZLK-MLGOLLRUSA-N -1 0 346.814 3.569 20 0 EHADRM C[C@H](C(=O)NC[C@@H](NC(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC000738626786 603021228 /nfs/dbraw/zinc/02/12/28/603021228.db2.gz WNNPOLGQPRCZLK-BLLLJJGKSA-N -1 0 346.814 3.569 20 0 EHADRM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CC(C)(C)NC(=O)[O-] ZINC000739266237 603033418 /nfs/dbraw/zinc/03/34/18/603033418.db2.gz UNIXVGIWOUVILJ-CVEARBPZSA-N -1 0 332.444 3.608 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)Nc2cc(NC(=O)[O-])ccc2F)cc1 ZINC000739893934 603035703 /nfs/dbraw/zinc/03/57/03/603035703.db2.gz CWQKJVNJHNMDNA-SNVBAGLBSA-N -1 0 347.346 3.807 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)Cc2c(F)cccc2Cl)cc1 ZINC000827907802 603039293 /nfs/dbraw/zinc/03/92/93/603039293.db2.gz FJOBQEAWBDQNEG-UHFFFAOYSA-N -1 0 337.734 3.741 20 0 EHADRM CCn1nc(C)c(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)c1C ZINC000739569886 603039449 /nfs/dbraw/zinc/03/94/49/603039449.db2.gz CDHWZRNHQAHPPX-UHFFFAOYSA-N -1 0 336.779 3.515 20 0 EHADRM Cc1ccc(C(=O)NC[C@@H](C)Sc2ccccc2)cc1NC(=O)[O-] ZINC000830211682 603064858 /nfs/dbraw/zinc/06/48/58/603064858.db2.gz XHQJLHCXSUGAAN-CYBMUJFWSA-N -1 0 344.436 3.996 20 0 EHADRM Cc1c(Cl)cccc1NC(=O)[C@H](CNC(=O)[O-])c1ccccc1 ZINC000740054079 603078408 /nfs/dbraw/zinc/07/84/08/603078408.db2.gz UGYQFOMMBPSLSJ-CYBMUJFWSA-N -1 0 332.787 3.638 20 0 EHADRM CCc1ccc(NC(=O)CNc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1 ZINC000739541632 603102249 /nfs/dbraw/zinc/10/22/49/603102249.db2.gz IUDHAKDPUZRAJZ-CYBMUJFWSA-N -1 0 341.411 3.628 20 0 EHADRM C[C@H](CC1CCCC1)C(=O)N1CCC([C@H]2CCCN2C(=O)[O-])CC1 ZINC000738896279 603109477 /nfs/dbraw/zinc/10/94/77/603109477.db2.gz NEOLJDYKZCLNDO-RHSMWYFYSA-N -1 0 336.476 3.584 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)NC2CCC(NC(=O)[O-])CC2)c1 ZINC000739247757 603138582 /nfs/dbraw/zinc/13/85/82/603138582.db2.gz FHFVULJCGMVAEA-IYXRBSQSSA-N -1 0 349.431 3.564 20 0 EHADRM CC(C)CCN(CCC(C)C)C(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000738817530 603150974 /nfs/dbraw/zinc/15/09/74/603150974.db2.gz BBMHZFJXRHCQHO-UHFFFAOYSA-N -1 0 341.496 3.669 20 0 EHADRM CN(C(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1)c1ccc2ccccc2c1 ZINC000739573639 603153519 /nfs/dbraw/zinc/15/35/19/603153519.db2.gz LBIODWWUJPZPJX-CVEARBPZSA-N -1 0 326.396 3.629 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@H](C(=O)Nc2ccccc2SC(F)F)C1 ZINC000740563670 603155445 /nfs/dbraw/zinc/15/54/45/603155445.db2.gz JSXSIVPBXWLPBU-UWVGGRQHSA-N -1 0 344.383 3.766 20 0 EHADRM CCc1ccc([C@H](C)NC(=O)COc2ccc(NC(=O)[O-])cc2)cc1 ZINC000737901200 603156638 /nfs/dbraw/zinc/15/66/38/603156638.db2.gz CRHUUDKQLPLRDM-ZDUSSCGKSA-N -1 0 342.395 3.595 20 0 EHADRM Cc1sc(NC(=O)COc2ccc(NC(=O)[O-])cc2)c(C)c1C ZINC000830956081 603157112 /nfs/dbraw/zinc/15/71/12/603157112.db2.gz CPLHJEOKQAXJPL-UHFFFAOYSA-N -1 0 334.397 3.781 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)[O-])cc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000825616793 603157224 /nfs/dbraw/zinc/15/72/24/603157224.db2.gz KKACDJWFJQTEBG-OLZOCXBDSA-N -1 0 340.379 3.522 20 0 EHADRM CCOc1ccc(NC(=O)[C@H](C)Oc2ccc(NC(=O)[O-])cc2)cc1 ZINC000827439990 603157863 /nfs/dbraw/zinc/15/78/63/603157863.db2.gz VQERTYPCQMKEAE-LBPRGKRZSA-N -1 0 344.367 3.581 20 0 EHADRM C[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)c2ccccc2S1 ZINC000739114423 603159520 /nfs/dbraw/zinc/15/95/20/603159520.db2.gz WMQKMADNVRXXEV-HZSPNIEDSA-N -1 0 348.468 3.730 20 0 EHADRM CCO[C@H](C)c1nc(COc2ccc(N(C)C(=O)[O-])cc2)cs1 ZINC000827360756 603159848 /nfs/dbraw/zinc/15/98/48/603159848.db2.gz ADKAZQVDNGMIMF-LLVKDONJSA-N -1 0 336.413 3.934 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)Nc2ccc(Cl)c3cccnc23)C1 ZINC000740577154 603163547 /nfs/dbraw/zinc/16/35/47/603163547.db2.gz VTNSJBKRPGFSPL-GHMZBOCLSA-N -1 0 347.802 3.653 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000740714697 603172715 /nfs/dbraw/zinc/17/27/15/603172715.db2.gz XQCYWMUSAQQBCX-JQWIXIFHSA-N -1 0 332.306 3.797 20 0 EHADRM C[C@@H](Cc1ccccc1)C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000825023743 603173041 /nfs/dbraw/zinc/17/30/41/603173041.db2.gz NEBXHAZQGRWLRA-KBPBESRZSA-N -1 0 326.396 3.833 20 0 EHADRM C[C@@H](C(=O)Nc1cccc2c1CCN(C(=O)[O-])C2)c1ccccc1F ZINC000738638707 603176048 /nfs/dbraw/zinc/17/60/48/603176048.db2.gz OMLPGZCWWVKHBM-GFCCVEGCSA-N -1 0 342.370 3.604 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1)c1cccs1 ZINC000738806122 603178447 /nfs/dbraw/zinc/17/84/47/603178447.db2.gz CIOBGLQEDBZMJZ-MCIONIFRSA-N -1 0 338.473 3.778 20 0 EHADRM COc1cccc(CCC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)c1 ZINC000829557067 603183715 /nfs/dbraw/zinc/18/37/15/603183715.db2.gz YMJQIVXJRWMZTF-ZDUSSCGKSA-N -1 0 342.395 3.595 20 0 EHADRM Cc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000738325870 603185536 /nfs/dbraw/zinc/18/55/36/603185536.db2.gz VGWDROIWFIUYMP-SFHVURJKSA-N -1 0 338.407 3.932 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2cccc3c2ccn3C)cc1 ZINC000825449559 603187102 /nfs/dbraw/zinc/18/71/02/603187102.db2.gz TYOFPWUCBRCMQE-GFCCVEGCSA-N -1 0 337.379 3.759 20 0 EHADRM CCc1cc(Oc2ccc(NC(=O)[O-])cc2)nc(-c2ccccn2)n1 ZINC000827569593 603195992 /nfs/dbraw/zinc/19/59/92/603195992.db2.gz OBBUGSWRDPNPDN-UHFFFAOYSA-N -1 0 336.351 3.983 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)OCCCc2ccncc2)c(Cl)c1 ZINC000740701700 603202485 /nfs/dbraw/zinc/20/24/85/603202485.db2.gz IQWMWNVQCPSGQE-UHFFFAOYSA-N -1 0 334.759 3.615 20 0 EHADRM C[C@@H](CNC(=O)c1ccc(NC(=O)[O-])cc1Cl)c1ccccc1 ZINC000738939937 603205294 /nfs/dbraw/zinc/20/52/94/603205294.db2.gz PTDXTZSLXRLKJZ-NSHDSACASA-N -1 0 332.787 3.963 20 0 EHADRM CC[C@H](NC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1)c1ccc(Cl)s1 ZINC000739262326 603206707 /nfs/dbraw/zinc/20/67/07/603206707.db2.gz ZRXUHVLRXXFHSC-VWYCJHECSA-N -1 0 344.864 3.795 20 0 EHADRM CC(C)n1cc2cc(NC(=O)c3ccc(NC(=O)[O-])cc3)ccc2n1 ZINC000736533366 603209491 /nfs/dbraw/zinc/20/94/91/603209491.db2.gz WFZWJEINVOLKFZ-UHFFFAOYSA-N -1 0 338.367 3.959 20 0 EHADRM Cc1ccc(NC(=O)[C@H](C)[C@H](NC(=O)[O-])c2ccccc2)c(C)c1 ZINC000830354054 603211640 /nfs/dbraw/zinc/21/16/40/603211640.db2.gz XKRFEHPWSCUXRD-PBHICJAKSA-N -1 0 326.396 3.887 20 0 EHADRM O=C([O-])Nc1cc2ccccc2cc1C(=O)NCCC(F)(F)F ZINC000832829677 603219102 /nfs/dbraw/zinc/21/91/02/603219102.db2.gz ZFYDBOVAUNOXNX-UHFFFAOYSA-N -1 0 326.274 3.612 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)CCC(C)(C)NC(=O)[O-] ZINC000739084316 603224539 /nfs/dbraw/zinc/22/45/39/603224539.db2.gz QEWCQEABRAVSDY-IJEWVQPXSA-N -1 0 332.444 3.606 20 0 EHADRM Cc1cc(F)ccc1NC(=O)[C@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000830068890 603226074 /nfs/dbraw/zinc/22/60/74/603226074.db2.gz QEHQOWPSAGHHBT-WBMJQRKESA-N -1 0 330.359 3.718 20 0 EHADRM Cc1ccccc1CN(C)C(=O)[C@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000830573502 603227766 /nfs/dbraw/zinc/22/77/66/603227766.db2.gz MXASJFMKOTUYJV-QAPCUYQASA-N -1 0 340.423 3.598 20 0 EHADRM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)CC(C)(C)NC(=O)[O-])o1 ZINC000827583755 603231883 /nfs/dbraw/zinc/23/18/83/603231883.db2.gz LFZQWADHIUNYBS-TZMCWYRMSA-N -1 0 336.432 3.578 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NCCCOC2CCCC2)c(Cl)c1 ZINC000740698745 603235035 /nfs/dbraw/zinc/23/50/35/603235035.db2.gz PZLODXJJSSFDRJ-UHFFFAOYSA-N -1 0 340.807 3.509 20 0 EHADRM COc1ccccc1NC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000829638185 603243698 /nfs/dbraw/zinc/24/36/98/603243698.db2.gz LZCONALEXCPSLN-LLVKDONJSA-N -1 0 329.356 3.668 20 0 EHADRM COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000829310702 603246033 /nfs/dbraw/zinc/24/60/33/603246033.db2.gz JAWJCFIBXSPUBN-CYBMUJFWSA-N -1 0 342.395 3.893 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000825442530 603249140 /nfs/dbraw/zinc/24/91/40/603249140.db2.gz JGSGHDKYXRKCFU-VIFPVBQESA-N -1 0 335.310 3.937 20 0 EHADRM CC(C)c1ccccc1NC(=O)N[C@H]1CCCC[C@@H]1CNC(=O)[O-] ZINC000824477016 603249303 /nfs/dbraw/zinc/24/93/03/603249303.db2.gz YRWISZITGSPAHC-HIFRSBDPSA-N -1 0 333.432 3.758 20 0 EHADRM O=C([O-])N1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000740340301 603249697 /nfs/dbraw/zinc/24/96/97/603249697.db2.gz GBZCUPTVHOBFQH-KURKYZTESA-N -1 0 348.487 3.584 20 0 EHADRM CSc1ccccc1NC(=O)NC[C@H](NC(=O)[O-])c1ccccc1 ZINC000829772479 603252328 /nfs/dbraw/zinc/25/23/28/603252328.db2.gz XRZFUECTIJOAOJ-AWEZNQCLSA-N -1 0 345.424 3.539 20 0 EHADRM C[C@@H](C(=O)Nc1cc(F)cc(F)c1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823712923 603262217 /nfs/dbraw/zinc/26/22/17/603262217.db2.gz LTAQIKYKFRWQFI-BMIGLBTASA-N -1 0 334.322 3.548 20 0 EHADRM CCN(Cc1ccccc1)C(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000827171087 603275480 /nfs/dbraw/zinc/27/54/80/603275480.db2.gz LYBGLIUXKAYABB-MAUKXSAKSA-N -1 0 340.423 3.680 20 0 EHADRM CCOc1ccccc1NC(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000827459666 603277351 /nfs/dbraw/zinc/27/73/51/603277351.db2.gz IQONPFVESPHBDD-GUYCJALGSA-N -1 0 342.395 3.669 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc2c1CCN(C(=O)[O-])C2)c1ccccc1 ZINC000738982132 603291658 /nfs/dbraw/zinc/29/16/58/603291658.db2.gz WLUVXIJDTRWALH-CYBMUJFWSA-N -1 0 339.395 3.605 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NCCC1CCCC1 ZINC000829182272 603293016 /nfs/dbraw/zinc/29/30/16/603293016.db2.gz JOVJOJAQOQSABM-UHFFFAOYSA-N -1 0 340.807 3.749 20 0 EHADRM Cc1ccccc1C(=O)N(c1ccc(CNC(=O)[O-])cc1C)C1CC1 ZINC000740183195 603297625 /nfs/dbraw/zinc/29/76/25/603297625.db2.gz NLRUVJIATSWZNO-UHFFFAOYSA-N -1 0 338.407 3.880 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)CCc2cc(Cl)cs2)c1 ZINC000740677280 603298568 /nfs/dbraw/zinc/29/85/68/603298568.db2.gz ZHVBOGAVCMLKPL-UHFFFAOYSA-N -1 0 338.816 3.740 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)[C@@H](C)[C@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000830251597 603299749 /nfs/dbraw/zinc/29/97/49/603299749.db2.gz RDNZMCOIOBWJAA-MPGHIAIKSA-N -1 0 340.423 3.817 20 0 EHADRM O=C([O-])N1CCCN(C(=O)/C=C\c2cccs2)c2ccccc21 ZINC000740517258 603300895 /nfs/dbraw/zinc/30/08/95/603300895.db2.gz UBTYHSCDDKJCPF-HJWRWDBZSA-N -1 0 328.393 3.683 20 0 EHADRM C[C@H](CC(=O)N(C)[C@H](C)c1ccc(Cl)c(Cl)c1)NC(=O)[O-] ZINC000824549689 603302082 /nfs/dbraw/zinc/30/20/82/603302082.db2.gz BYVBOJBHPKNIAH-RKDXNWHRSA-N -1 0 333.215 3.559 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)N3CCC4(CCCC4)C3)ccc21 ZINC000831772321 603303933 /nfs/dbraw/zinc/30/39/33/603303933.db2.gz ADLWJRWJBPZSRL-UHFFFAOYSA-N -1 0 329.400 3.525 20 0 EHADRM C[C@H]1Cc2ccccc2CN1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000826093531 603310995 /nfs/dbraw/zinc/31/09/95/603310995.db2.gz GKTGHHNAIVDGLE-LBPRGKRZSA-N -1 0 325.368 3.755 20 0 EHADRM Cc1cccc(CN(C)C(=O)Nc2ccccc2CN(C)C(=O)[O-])c1 ZINC000740168555 603335211 /nfs/dbraw/zinc/33/52/11/603335211.db2.gz BYRXZLDZRPAYAA-UHFFFAOYSA-N -1 0 341.411 3.769 20 0 EHADRM CCN(Cc1cccc(NC(=O)N2Cc3ccccc3C2)c1)C(=O)[O-] ZINC000739441229 603344247 /nfs/dbraw/zinc/34/42/47/603344247.db2.gz GAJGRKPROYUJAP-UHFFFAOYSA-N -1 0 339.395 3.734 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N[C@H]1CCC[C@H](C)C1)C(=O)[O-] ZINC000739448374 603350412 /nfs/dbraw/zinc/35/04/12/603350412.db2.gz SKQXCIDGPGSTAE-ZFWWWQNUSA-N -1 0 333.432 3.887 20 0 EHADRM CN(Cc1cccc(NC(=O)N(C)Cc2ccccc2F)c1)C(=O)[O-] ZINC000739707520 603358100 /nfs/dbraw/zinc/35/81/00/603358100.db2.gz UHGWPYKCKUPPOK-UHFFFAOYSA-N -1 0 345.374 3.599 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)NCCSC(C)(C)C)cc1 ZINC000825434745 603364514 /nfs/dbraw/zinc/36/45/14/603364514.db2.gz XMRXBUDIVRKAAK-LLVKDONJSA-N -1 0 339.461 3.668 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)NCc2ccc(F)c(F)c2)cc1 ZINC000825434919 603368402 /nfs/dbraw/zinc/36/84/02/603368402.db2.gz YROUEMNCLYNHCN-JTQLQIEISA-N -1 0 349.337 3.615 20 0 EHADRM CCc1nc(NC(=O)[C@H](C)[C@@H](NC(=O)[O-])c2ccccc2)sc1C ZINC000827635864 603369370 /nfs/dbraw/zinc/36/93/70/603369370.db2.gz GVYORFVMOOQXDK-QMTHXVAHSA-N -1 0 347.440 3.597 20 0 EHADRM CCN(CC(=O)Nc1cc2oc3ccccc3c2cc1OC)C(=O)[O-] ZINC000739391666 603373800 /nfs/dbraw/zinc/37/38/00/603373800.db2.gz GLLFVIULOUSUIF-UHFFFAOYSA-N -1 0 342.351 3.533 20 0 EHADRM CC(C)c1cccc(NC(=S)N[C@@H]2CCC[C@H]2CNC(=O)[O-])c1 ZINC000738875136 603376084 /nfs/dbraw/zinc/37/60/84/603376084.db2.gz BIKYCWRJIQFRHH-DZGCQCFKSA-N -1 0 335.473 3.533 20 0 EHADRM Cc1occc1CN(C)C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000830948910 603377896 /nfs/dbraw/zinc/37/78/96/603377896.db2.gz PZHNXIRHICTGFD-LLVKDONJSA-N -1 0 331.372 3.581 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1)c1cccc(O)c1 ZINC000825426851 603381775 /nfs/dbraw/zinc/38/17/75/603381775.db2.gz LAQBQCZWPDCNEH-NWDGAFQWSA-N -1 0 343.383 3.604 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N2CCC[C@H]2c2ccco2)cc1 ZINC000825427222 603383875 /nfs/dbraw/zinc/38/38/75/603383875.db2.gz RNUGJARNYCOHPG-DOMZBBRYSA-N -1 0 343.383 3.977 20 0 EHADRM Cc1noc(C)c1[C@@H](C)NC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000830904109 603387313 /nfs/dbraw/zinc/38/73/13/603387313.db2.gz KFELTHXPANJAKD-VHSXEESVSA-N -1 0 346.387 3.503 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)c2cnc3ccsc3c2)c1 ZINC000740705315 603393670 /nfs/dbraw/zinc/39/36/70/603393670.db2.gz SLHKLDVHPGFASK-UHFFFAOYSA-N -1 0 331.328 3.778 20 0 EHADRM C[C@H](c1nc(-c2cccs2)no1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000825644592 603406406 /nfs/dbraw/zinc/40/64/06/603406406.db2.gz HEXWKBQNSGTOEP-GWCFXTLKSA-N -1 0 329.381 3.911 20 0 EHADRM C[C@H](CCc1ccccc1F)c1nc(C2(NC(=O)[O-])CCCC2)no1 ZINC000824819475 603415696 /nfs/dbraw/zinc/41/56/96/603415696.db2.gz ZMPMJDCOIYSTHC-GFCCVEGCSA-N -1 0 347.390 3.982 20 0 EHADRM O=C([O-])NCc1ccc(-c2nc(-c3cccc4ccccc43)no2)o1 ZINC000832671430 603418007 /nfs/dbraw/zinc/41/80/07/603418007.db2.gz AHGOYROJDPVOEY-UHFFFAOYSA-N -1 0 335.319 3.917 20 0 EHADRM C[C@H](C(=O)NC(C)(C)c1ccccc1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823677745 603419164 /nfs/dbraw/zinc/41/91/64/603419164.db2.gz NFZVMZAYMACWEQ-YOEHRIQHSA-N -1 0 340.423 3.683 20 0 EHADRM O=C([O-])NC[C@H](c1nc(-c2ccccc2Cl)no1)c1ccccc1 ZINC000832433663 603421326 /nfs/dbraw/zinc/42/13/26/603421326.db2.gz UAGAOKBCMJHEBB-ZDUSSCGKSA-N -1 0 343.770 3.790 20 0 EHADRM CCOc1cccc([C@@H](C)NC(=O)c2ccc(C)c(NC(=O)[O-])c2)c1 ZINC000827447685 603428549 /nfs/dbraw/zinc/42/85/49/603428549.db2.gz AZWUIHROOQZUDU-CYBMUJFWSA-N -1 0 342.395 3.975 20 0 EHADRM C[C@@H]1CCN(C)c2ccccc2N1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736796509 603432458 /nfs/dbraw/zinc/43/24/58/603432458.db2.gz DPTCBHDMHPHXQR-CYBMUJFWSA-N -1 0 339.395 3.652 20 0 EHADRM C[C@H](OC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1)c1ccc(F)cc1Cl ZINC000829821654 603437505 /nfs/dbraw/zinc/43/75/05/603437505.db2.gz VOVLXQXDGVZICY-ATZCPNFKSA-N -1 0 329.755 3.520 20 0 EHADRM Cc1ccccc1NC(=S)NCCc1ccc(NC(=O)[O-])cc1 ZINC000738778718 603460953 /nfs/dbraw/zinc/46/09/53/603460953.db2.gz SYDZVHVAXDIIOC-UHFFFAOYSA-N -1 0 329.425 3.614 20 0 EHADRM Cc1cccc(NC(=S)NCCc2ccc(NC(=O)[O-])cc2)c1 ZINC000738736875 603460981 /nfs/dbraw/zinc/46/09/81/603460981.db2.gz YILACNZBLWBJTJ-UHFFFAOYSA-N -1 0 329.425 3.614 20 0 EHADRM COc1ccc(S[C@H](C)C(=O)Oc2cccc(NC(=O)[O-])c2)cc1 ZINC000829510864 603482102 /nfs/dbraw/zinc/48/21/02/603482102.db2.gz PRPIOQWBWXGCAE-LLVKDONJSA-N -1 0 347.392 3.871 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)C/C=C\c2ccc(F)cc2)c1 ZINC000829469448 603485402 /nfs/dbraw/zinc/48/54/02/603485402.db2.gz QSMPCQNRNKYOHO-IHWYPQMZSA-N -1 0 344.342 3.966 20 0 EHADRM C[C@H](C(=O)Nc1cc(Cl)ccc1O)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823713305 603507674 /nfs/dbraw/zinc/50/76/74/603507674.db2.gz NJVGOPHAMQVUIE-BONVTDFDSA-N -1 0 348.786 3.629 20 0 EHADRM Cc1ccc(C(=O)NC[C@@H](c2cccnc2)C(C)C)cc1NC(=O)[O-] ZINC000830210495 603525646 /nfs/dbraw/zinc/52/56/46/603525646.db2.gz AGONDKSZHGGJEK-MRXNPFEDSA-N -1 0 341.411 3.650 20 0 EHADRM CN(CC(C)(C)CNC(=O)[O-])C(=O)Nc1cccc(Cl)c1Cl ZINC000828146138 603549110 /nfs/dbraw/zinc/54/91/10/603549110.db2.gz CXQMBLVNRNGQMV-UHFFFAOYSA-N -1 0 348.230 3.751 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)[C@@H]3C[C@@]34CCc3ccccc34)ccc21 ZINC000831773283 603553443 /nfs/dbraw/zinc/55/34/43/603553443.db2.gz VAJSUDBVNRMIMG-LAUBAEHRSA-N -1 0 348.402 3.570 20 0 EHADRM CC(C)c1cccc(NC(=S)N(C)CC(C)(C)CNC(=O)[O-])c1 ZINC000824471076 603579929 /nfs/dbraw/zinc/57/99/29/603579929.db2.gz XDVFTILGFGGVCL-UHFFFAOYSA-N -1 0 337.489 3.732 20 0 EHADRM C[C@@H](OC(=O)c1ccc(CNC(=O)[O-])cc1)c1ncc(C(C)(C)C)o1 ZINC000825602390 603582911 /nfs/dbraw/zinc/58/29/11/603582911.db2.gz KDCDKJRMXKDWSY-LLVKDONJSA-N -1 0 346.383 3.658 20 0 EHADRM CCCCCC[C@H](C)NC(=O)N(C)C1CCC(NC(=O)[O-])CC1 ZINC000826821239 603610224 /nfs/dbraw/zinc/61/02/24/603610224.db2.gz SAGPSFVHODTPJU-NFOMZHRRSA-N -1 0 327.469 3.566 20 0 EHADRM CC(C)C[C@@H]1CCN(C(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)C1 ZINC000824223279 603642217 /nfs/dbraw/zinc/64/22/17/603642217.db2.gz FBQAFAGUQDBBLF-DOTOQJQBSA-N -1 0 332.444 3.670 20 0 EHADRM CCC(CC)(CNC(=O)c1cccc(Cl)c1Cl)NC(=O)[O-] ZINC000826556800 603729217 /nfs/dbraw/zinc/72/92/17/603729217.db2.gz OVMDFJOOXOZOMW-UHFFFAOYSA-N -1 0 333.215 3.550 20 0 EHADRM Cc1c(F)cccc1NC(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000829871497 603776663 /nfs/dbraw/zinc/77/66/63/603776663.db2.gz BEDJLJWNDAQQOY-LRDDRELGSA-N -1 0 330.359 3.718 20 0 EHADRM CC(C)(C)OCc1ccc(NC(=O)CC2CCN(C(=O)[O-])CC2)cc1 ZINC000823833944 603788567 /nfs/dbraw/zinc/78/85/67/603788567.db2.gz XQSJMLGRCBMMEX-UHFFFAOYSA-N -1 0 348.443 3.720 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)c2cc(F)c(C)cc2F)c1 ZINC000829469793 603825252 /nfs/dbraw/zinc/82/52/52/603825252.db2.gz WAUXYPLDONONOB-UHFFFAOYSA-N -1 0 336.294 3.624 20 0 EHADRM C[C@@H](c1cccs1)N(C)C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000825645144 603847783 /nfs/dbraw/zinc/84/77/83/603847783.db2.gz LZUGNJHBVDEDLI-FUDCBSFHSA-N -1 0 336.457 3.579 20 0 EHADRM C[C@H](c1cccs1)N(C)C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000825645145 603847888 /nfs/dbraw/zinc/84/78/88/603847888.db2.gz LZUGNJHBVDEDLI-RLAWYHOSSA-N -1 0 336.457 3.579 20 0 EHADRM O=C([O-])N[C@H]1CC[C@H](C(=O)Nc2ccc(CCC(F)(F)F)cc2)C1 ZINC000832285106 603886907 /nfs/dbraw/zinc/88/69/07/603886907.db2.gz CYXCLDXGNZBFSS-AAEUAGOBSA-N -1 0 344.333 3.556 20 0 EHADRM CSCc1cccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1 ZINC000829753711 603890245 /nfs/dbraw/zinc/89/02/45/603890245.db2.gz IRPJHDIHCYUPLJ-VHRNVKJDSA-N -1 0 348.468 3.799 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(NC(=O)[O-])nc1)c1ccc(Cl)s1 ZINC000823713338 603914954 /nfs/dbraw/zinc/91/49/54/603914954.db2.gz NOWCOACDLAPPKV-SSDOTTSWSA-N -1 0 325.777 3.629 20 0 EHADRM CC(C)c1cnc(NC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])s1 ZINC000824475729 603924911 /nfs/dbraw/zinc/92/49/11/603924911.db2.gz AFMAUIOMTRTJBO-YOGCLGLASA-N -1 0 337.445 3.516 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)c1ccc2ncccc2c1 ZINC000831797570 603942744 /nfs/dbraw/zinc/94/27/44/603942744.db2.gz LMMOLRWJYHNAHY-UHFFFAOYSA-N -1 0 333.347 3.528 20 0 EHADRM CC(C)(C(=O)Nc1cccc2c1CCN2C(=O)[O-])c1ccc(F)cc1 ZINC000823743703 603949767 /nfs/dbraw/zinc/94/97/67/603949767.db2.gz OXZNCSKYJXPZLA-UHFFFAOYSA-N -1 0 342.370 3.783 20 0 EHADRM CC[C@H](Nc1ccccc1)C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000826618845 603951889 /nfs/dbraw/zinc/95/18/89/603951889.db2.gz GYBMUVZYNUPWQV-HNNXBMFYSA-N -1 0 339.395 3.556 20 0 EHADRM Cc1ccc(C(=O)O[C@@H](C)c2nc(C(C)(C)C)no2)cc1NC(=O)[O-] ZINC000830237776 603953403 /nfs/dbraw/zinc/95/34/03/603953403.db2.gz MHUUXHFYTIXKQQ-JTQLQIEISA-N -1 0 347.371 3.683 20 0 EHADRM C[C@H]1CCN(C(=O)CC2CCN(C(=O)[O-])CC2)[C@H]1c1cccc(F)c1 ZINC000825937830 603960946 /nfs/dbraw/zinc/96/09/46/603960946.db2.gz KTDHSIHIDDAGFS-SCLBCKFNSA-N -1 0 348.418 3.515 20 0 EHADRM CCN(C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)c1ccc2ccccc2c1 ZINC000826969943 603961989 /nfs/dbraw/zinc/96/19/89/603961989.db2.gz LNBQSEMYGPFOGJ-HZPDHXFCSA-N -1 0 326.396 3.629 20 0 EHADRM Cc1ccc(C)c(NC(=O)Nc2cccc3c2CCN3C(=O)[O-])c1 ZINC000830274497 603968028 /nfs/dbraw/zinc/96/80/28/603968028.db2.gz KANKBYMUSSAFGF-UHFFFAOYSA-N -1 0 325.368 3.988 20 0 EHADRM Cc1c(F)cccc1NC(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000829872056 603972362 /nfs/dbraw/zinc/97/23/62/603972362.db2.gz OPKHOVDUEZXRPN-UHFFFAOYSA-N -1 0 329.331 3.819 20 0 EHADRM CC(C)CCN(C(=O)Nc1cccc2c1CCN2C(=O)[O-])C1CC1 ZINC000824238126 603975740 /nfs/dbraw/zinc/97/57/40/603975740.db2.gz AILOJVRIMOGOCP-UHFFFAOYSA-N -1 0 331.416 3.770 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)[C@H]2C[C@@]23CCc2ccccc23)cc1 ZINC000827900069 603990988 /nfs/dbraw/zinc/99/09/88/603990988.db2.gz OIDCEEZVTFUETC-YLJYHZDGSA-N -1 0 337.375 3.610 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])C(C)(C)C1 ZINC000826015514 604013213 /nfs/dbraw/zinc/01/32/13/604013213.db2.gz ZQLIZBHXUPOZOY-LBPRGKRZSA-N -1 0 331.416 3.770 20 0 EHADRM CCS[C@H]1CCCC[C@@H]1NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000827503907 604041969 /nfs/dbraw/zinc/04/19/69/604041969.db2.gz NUSNMCIVNJYWRV-JSGCOSHPSA-N -1 0 340.420 3.710 20 0 EHADRM CCS[C@@H]1CCC[C@@H](NC(=O)c2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000827495676 604061652 /nfs/dbraw/zinc/06/16/52/604061652.db2.gz LFICCTCNEVWBOE-VXGBXAGGSA-N -1 0 340.420 3.710 20 0 EHADRM CC(C)c1ccccc1NC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000824475966 604064861 /nfs/dbraw/zinc/06/48/61/604064861.db2.gz DTJSMCSIUCQZRU-ZIAGYGMSSA-N -1 0 333.432 3.710 20 0 EHADRM O=C([O-])NC1(CC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)CCC1 ZINC000832198638 604086275 /nfs/dbraw/zinc/08/62/75/604086275.db2.gz CSMJFEGAJAQYEU-CQSZACIVSA-N -1 0 336.819 3.584 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N1CCC2(CCC2)C1)C(=O)[O-] ZINC000827187089 604089197 /nfs/dbraw/zinc/08/91/97/604089197.db2.gz OZMNVCOPRNYDNA-UHFFFAOYSA-N -1 0 331.416 3.594 20 0 EHADRM Cc1cccc(NC(=O)N2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)c1Cl ZINC000830517470 604094872 /nfs/dbraw/zinc/09/48/72/604094872.db2.gz YDRMKVJNQCESGD-VXGBXAGGSA-N -1 0 339.823 3.548 20 0 EHADRM Cc1cc(C)c(NC(=O)N(C)CC[C@H](NC(=O)[O-])C(C)C)c(C)c1 ZINC000829990994 604119829 /nfs/dbraw/zinc/11/98/29/604119829.db2.gz NBDDIOQPFAVONS-HNNXBMFYSA-N -1 0 335.448 3.758 20 0 EHADRM Cc1cc2cc(NC(=O)N(C)C3CCC(NC(=O)[O-])CC3)ccc2[nH]1 ZINC000830143270 604137304 /nfs/dbraw/zinc/13/73/04/604137304.db2.gz GIIDGGWODZSNQS-UHFFFAOYSA-N -1 0 344.415 3.519 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N1C[C@@H]2CCCC[C@H]2C1)C(=O)[O-] ZINC000827181856 604145046 /nfs/dbraw/zinc/14/50/46/604145046.db2.gz BGPNXYUTSYIYHA-GJZGRUSLSA-N -1 0 345.443 3.840 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@H](C(=O)Oc2ccc(-c3cscn3)cc2)C1 ZINC000832332606 604212926 /nfs/dbraw/zinc/21/29/26/604212926.db2.gz NRLDMGFCFYLVOG-STQMWFEESA-N -1 0 346.408 3.542 20 0 EHADRM Cc1ccc(C(=O)NCCc2ccc(F)cc2C)cc1NC(=O)[O-] ZINC000830068392 604227500 /nfs/dbraw/zinc/22/75/00/604227500.db2.gz LRLYTLNJQDUXLN-UHFFFAOYSA-N -1 0 330.359 3.505 20 0 EHADRM O=C([O-])N(CC1CC1)C1CCN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000831272058 604244690 /nfs/dbraw/zinc/24/46/90/604244690.db2.gz HMUGPEFAYFFIMX-MSOLQXFVSA-N -1 0 348.487 3.584 20 0 EHADRM C[C@H](CC(=O)N1CCC(N(CC2CC2)C(=O)[O-])CC1)c1ccccc1 ZINC000824571731 604245465 /nfs/dbraw/zinc/24/54/65/604245465.db2.gz KCSLPMDKVSZXPC-OAHLLOKOSA-N -1 0 344.455 3.561 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@](C)(c3ccccc3)C2)cc1NC(=O)[O-] ZINC000830186947 604246119 /nfs/dbraw/zinc/24/61/19/604246119.db2.gz MOGSUXJOYAXKON-FQEVSTJZSA-N -1 0 338.407 3.889 20 0 EHADRM C[C@H](OC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1)c1cnc2ccccc2c1 ZINC000825560136 604246675 /nfs/dbraw/zinc/24/66/75/604246675.db2.gz HNJRKAHDAVPCGY-NOLJZWGESA-N -1 0 342.395 3.665 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2ccc(-c3ccco3)s2)c1 ZINC000833268079 604269448 /nfs/dbraw/zinc/26/94/48/604269448.db2.gz WKZGUXNNHPXCTG-UHFFFAOYSA-N -1 0 327.361 3.888 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)cc1F ZINC000833127918 604279582 /nfs/dbraw/zinc/27/95/82/604279582.db2.gz MPEHIMDCHGRBGI-QGZVFWFLSA-N -1 0 345.345 3.934 20 0 EHADRM C[C@H](CC(=O)N1Cc2ccccc2[C@H](C)C1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000825974861 604289237 /nfs/dbraw/zinc/28/92/37/604289237.db2.gz LSKQDJKOHYPMGA-OAGGEKHMSA-N -1 0 344.455 3.549 20 0 EHADRM Cc1ccc(CN(C(=O)c2ccc(C(=O)[O-])c(F)c2)C(C)C)s1 ZINC000832931994 604293902 /nfs/dbraw/zinc/29/39/02/604293902.db2.gz CKDMACBTYGHLSR-UHFFFAOYSA-N -1 0 335.400 3.945 20 0 EHADRM CC(C)N(Cc1ccc(F)cc1)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000826951247 604295674 /nfs/dbraw/zinc/29/56/74/604295674.db2.gz ASMGNTIQUOQWLW-UHFFFAOYSA-N -1 0 333.334 3.714 20 0 EHADRM CC(C)[C@@H](c1ccccc1)N(C)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000826723839 604314040 /nfs/dbraw/zinc/31/40/40/604314040.db2.gz YLGXHAPTNVLCBM-KRWDZBQOSA-N -1 0 329.371 3.993 20 0 EHADRM CC[C@@H]1c2ccccc2CCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000829170157 604316986 /nfs/dbraw/zinc/31/69/86/604316986.db2.gz LQUFUUZCGJWNQR-QGZVFWFLSA-N -1 0 327.355 3.674 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H](C2CCCCC2)C(F)(F)F)cc1F ZINC000833125589 604334878 /nfs/dbraw/zinc/33/48/78/604334878.db2.gz FHKHUQQXZQZGOI-ZDUSSCGKSA-N -1 0 347.308 3.765 20 0 EHADRM Cc1cc(C)c(/C=C/C(=O)Nc2nc(CCC(=O)[O-])cs2)cc1C ZINC000832877557 604346210 /nfs/dbraw/zinc/34/62/10/604346210.db2.gz JUIRZUXDFQXIOM-GQCTYLIASA-N -1 0 344.436 3.737 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)CCc1cccs1)c1ccccc1 ZINC000826088797 604379843 /nfs/dbraw/zinc/37/98/43/604379843.db2.gz BOBWJNVAJGUBAQ-MRXNPFEDSA-N -1 0 331.437 3.649 20 0 EHADRM Cc1cc([C@H](C)N2CCO[C@@H](c3ccc(F)cc3)C2)oc1C(=O)[O-] ZINC000519638714 604381550 /nfs/dbraw/zinc/38/15/50/604381550.db2.gz GAPWQOGINUELEC-BLLLJJGKSA-N -1 0 333.359 3.560 20 0 EHADRM C[C@H](CC(=O)N1CC[C@H]1c1cccc(F)c1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824572839 604385075 /nfs/dbraw/zinc/38/50/75/604385075.db2.gz QICUODONOHXZPD-KMFMINBZSA-N -1 0 348.418 3.515 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)CCc1ccsc1)c1ccccc1 ZINC000826090886 604387280 /nfs/dbraw/zinc/38/72/80/604387280.db2.gz XRTFTIKNVTYZQR-MRXNPFEDSA-N -1 0 331.437 3.649 20 0 EHADRM Cc1cccc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])c1C ZINC000832963887 604390495 /nfs/dbraw/zinc/39/04/95/604390495.db2.gz VPJYUTVOTYQCPM-QGZVFWFLSA-N -1 0 325.408 3.885 20 0 EHADRM CCc1cc(C(=O)N(CCC(=O)[O-])c2cccc(F)c2)oc1CC ZINC000830213956 604390756 /nfs/dbraw/zinc/39/07/56/604390756.db2.gz REULHEDXMJTTKQ-UHFFFAOYSA-N -1 0 333.359 3.665 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000826103779 604392336 /nfs/dbraw/zinc/39/23/36/604392336.db2.gz WZBIAXDSOLKTFL-ZDUSSCGKSA-N -1 0 337.828 3.983 20 0 EHADRM CCCOc1cc(F)ccc1NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000826935687 604410130 /nfs/dbraw/zinc/41/01/30/604410130.db2.gz SCNDWDPODNKLMI-UHFFFAOYSA-N -1 0 332.331 3.957 20 0 EHADRM C[C@@H](COc1ccccc1)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000825008244 604426731 /nfs/dbraw/zinc/42/67/31/604426731.db2.gz HWWPISICSXWYPD-NSHDSACASA-N -1 0 332.331 3.569 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccc(F)cc1F ZINC000829028151 604426884 /nfs/dbraw/zinc/42/68/84/604426884.db2.gz SUVQYCHOWNYAHY-MRXNPFEDSA-N -1 0 333.334 3.643 20 0 EHADRM CCC(CC)n1nccc1C(=O)OCc1cc(C(=O)[O-])sc1C ZINC000828874783 604443719 /nfs/dbraw/zinc/44/37/19/604443719.db2.gz RCPAUJZXUPZNKH-UHFFFAOYSA-N -1 0 336.413 3.669 20 0 EHADRM C[C@@H](NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])C1CCCC1 ZINC000827660094 604500097 /nfs/dbraw/zinc/50/00/97/604500097.db2.gz WQTHUGGNOPPUCU-CJNGLKHVSA-N -1 0 332.444 3.716 20 0 EHADRM O=C([O-])c1csc(NC(=O)N[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000833151046 604503617 /nfs/dbraw/zinc/50/36/17/604503617.db2.gz MGKICMGVHMHEMB-NSHDSACASA-N -1 0 344.314 3.871 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(NC(=O)[O-])cc1Cl)CO2 ZINC000830445320 604505373 /nfs/dbraw/zinc/50/53/73/604505373.db2.gz FTPIJQTVONFPDF-AWEZNQCLSA-N -1 0 346.770 3.602 20 0 EHADRM O=C([O-])c1csc(NC(=O)N(CCc2ccc(F)cc2)C2CC2)c1 ZINC000833341426 604510965 /nfs/dbraw/zinc/51/09/65/604510965.db2.gz ZILXZVZWCRHJFA-UHFFFAOYSA-N -1 0 348.399 3.824 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000828900654 604512980 /nfs/dbraw/zinc/51/29/80/604512980.db2.gz JCZKGZZGGAOSJJ-AWEZNQCLSA-N -1 0 332.425 3.931 20 0 EHADRM Cc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2)c(Br)c1 ZINC000833748174 604517437 /nfs/dbraw/zinc/51/74/37/604517437.db2.gz VXQVWBMFEGSPNN-CQSZACIVSA-N -1 0 349.180 3.740 20 0 EHADRM CC(C)[C@H](NC(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccccc1Cl ZINC000826700396 604519792 /nfs/dbraw/zinc/51/97/92/604519792.db2.gz SCZGVKKCZAWAHU-WBMJQRKESA-N -1 0 338.835 3.686 20 0 EHADRM O=C([O-])c1csc(NC(=O)N(Cc2ccccc2)CC(F)F)c1 ZINC000833340890 604522808 /nfs/dbraw/zinc/52/28/08/604522808.db2.gz NDHACYMBVPBCQO-UHFFFAOYSA-N -1 0 340.351 3.746 20 0 EHADRM CC[C@@H]1C[C@H](C)CN1C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000829074144 604522820 /nfs/dbraw/zinc/52/28/20/604522820.db2.gz AFLFGLTZFYXWDL-IMJJTQAJSA-N -1 0 332.444 3.669 20 0 EHADRM CC[C@H](NC(=O)Nc1cc(C(=O)[O-])cs1)c1cc(F)ccc1F ZINC000828951545 604523034 /nfs/dbraw/zinc/52/30/34/604523034.db2.gz NYBFGQWBGLVOEQ-LBPRGKRZSA-N -1 0 340.351 3.997 20 0 EHADRM CC(C)(C)Oc1cccc(CNc2cc(C(=O)[O-])c(F)cc2F)n1 ZINC000833446864 604536856 /nfs/dbraw/zinc/53/68/56/604536856.db2.gz IJGRTRXXIOEEGO-UHFFFAOYSA-N -1 0 336.338 3.847 20 0 EHADRM CC(C)[C@@H]1c2ccccc2CCN1C(=O)C1CCC(NC(=O)[O-])CC1 ZINC000824164543 604544954 /nfs/dbraw/zinc/54/49/54/604544954.db2.gz LXJWUWJQOARNLM-LEOMRAHMSA-N -1 0 344.455 3.595 20 0 EHADRM COc1ccccc1CCC(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000832608474 604548254 /nfs/dbraw/zinc/54/82/54/604548254.db2.gz VGZDVTPPWMBJGW-LBPRGKRZSA-N -1 0 332.352 3.532 20 0 EHADRM CCC(CC)n1nccc1C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000181653802 604550941 /nfs/dbraw/zinc/55/09/41/604550941.db2.gz IDFJIKRLMDLKJF-INIZCTEOSA-N -1 0 343.427 3.580 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)C2(c3ccc(F)cc3)CC2)oc1C(=O)[O-] ZINC000832871223 604560228 /nfs/dbraw/zinc/56/02/28/604560228.db2.gz ABJNOVOVNRQVLK-LLVKDONJSA-N -1 0 332.327 3.761 20 0 EHADRM CC(C)Oc1cccc(CN(C)C(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000833507246 604576356 /nfs/dbraw/zinc/57/63/56/604576356.db2.gz CVBUMTFWIKHQMU-UHFFFAOYSA-N -1 0 342.395 3.836 20 0 EHADRM CCC[C@@H](CC)NC(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000829217105 604578943 /nfs/dbraw/zinc/57/89/43/604578943.db2.gz ZGOGKFKSUQODBR-OAHLLOKOSA-N -1 0 347.459 3.549 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)C2(c3ccccc3C)CC2)oc1C(=O)[O-] ZINC000832981238 604580610 /nfs/dbraw/zinc/58/06/10/604580610.db2.gz DERCETJZAGSDOT-CYBMUJFWSA-N -1 0 328.364 3.931 20 0 EHADRM C[C@@H]1CC[C@@H](C)N(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC000833603401 604587770 /nfs/dbraw/zinc/58/77/70/604587770.db2.gz AYXNDQQMAWOAOO-NXEZZACHSA-N -1 0 342.342 3.639 20 0 EHADRM Cc1cc([C@H](C)OC(=O)C[C@@H]2CCOc3ccccc32)oc1C(=O)[O-] ZINC000832875924 604587961 /nfs/dbraw/zinc/58/79/61/604587961.db2.gz PJRPBNYUUPDGCH-STQMWFEESA-N -1 0 344.363 3.847 20 0 EHADRM COc1cc(-c2ccccc2)sc1C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000262874763 604597578 /nfs/dbraw/zinc/59/75/78/604597578.db2.gz GKVNHYDSGQDKGU-CYBMUJFWSA-N -1 0 345.420 3.503 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)Nc1ccccc1Cc1ccccc1 ZINC000326774136 604613795 /nfs/dbraw/zinc/61/37/95/604613795.db2.gz LQORGVGUDUILJN-QGZVFWFLSA-N -1 0 338.407 3.748 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000326729631 604613865 /nfs/dbraw/zinc/61/38/65/604613865.db2.gz ANZVKGWCCJKVPM-AWEZNQCLSA-N -1 0 340.379 3.950 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)Nc1ccccc1-c1cccs1 ZINC000833213515 604616616 /nfs/dbraw/zinc/61/66/16/604616616.db2.gz IMRKOPGLGPVYHL-GFCCVEGCSA-N -1 0 330.409 3.886 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)c1nc(C(F)(F)F)cs1 ZINC000833234656 604633661 /nfs/dbraw/zinc/63/36/61/604633661.db2.gz URTDXFBSILYXAQ-UHFFFAOYSA-N -1 0 330.331 3.643 20 0 EHADRM COc1ccc(NCc2cc(C)c(OCC(=O)[O-])c(C)c2)cc1F ZINC000832413355 604642607 /nfs/dbraw/zinc/64/26/07/604642607.db2.gz RQPRQCVDEYEFMQ-UHFFFAOYSA-N -1 0 333.359 3.527 20 0 EHADRM O=C([O-])c1cccc(CNc2ccn(-c3ccccc3Cl)n2)c1 ZINC000833329001 604644278 /nfs/dbraw/zinc/64/42/78/604644278.db2.gz MNOSBJURMSXWNK-UHFFFAOYSA-N -1 0 327.771 3.836 20 0 EHADRM Cc1nc(-c2ccccc2)ccc1C(=O)N(C)C1(C(=O)[O-])CCCC1 ZINC000832991849 604708999 /nfs/dbraw/zinc/70/89/99/604708999.db2.gz SWDJWSQJXXDZSA-UHFFFAOYSA-N -1 0 338.407 3.526 20 0 EHADRM Cc1cc([C@H](C)Sc2n[nH]c(Cc3cccs3)n2)oc1C(=O)[O-] ZINC000832873173 604710319 /nfs/dbraw/zinc/71/03/19/604710319.db2.gz HEBPOKGLDFRLSG-VIFPVBQESA-N -1 0 349.437 3.910 20 0 EHADRM CC(C)c1ccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])cn1 ZINC000827113049 604711548 /nfs/dbraw/zinc/71/15/48/604711548.db2.gz UQABKSGWZOTLKZ-WMZOPIPTSA-N -1 0 344.455 3.701 20 0 EHADRM CN(C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)C1(C(=O)[O-])CCCC1 ZINC000830455895 604720117 /nfs/dbraw/zinc/72/01/17/604720117.db2.gz AGFKACXBAOKZIP-ROUUACIJSA-N -1 0 337.419 3.799 20 0 EHADRM CC(C)c1ccc([C@H]2CCCN2C(=O)NCCCCC(=O)[O-])cc1 ZINC000666563096 604722198 /nfs/dbraw/zinc/72/21/98/604722198.db2.gz ZYRTZHBHTOSRRV-QGZVFWFLSA-N -1 0 332.444 3.911 20 0 EHADRM O=C([O-])CCc1csc(NC(=O)c2cc(Cl)ccc2Cl)n1 ZINC000833240064 604722278 /nfs/dbraw/zinc/72/22/78/604722278.db2.gz BSWKLEQPJNJMHZ-UHFFFAOYSA-N -1 0 345.207 3.719 20 0 EHADRM C[C@@H](C(=O)N(C)C1(C(=O)[O-])CCCC1)c1c(Cl)cccc1Cl ZINC000825971918 604724519 /nfs/dbraw/zinc/72/45/19/604724519.db2.gz IWAJBFCFVPOTKB-SNVBAGLBSA-N -1 0 344.238 3.953 20 0 EHADRM CN(C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21)C1(C(=O)[O-])CCCC1 ZINC000830457926 604725395 /nfs/dbraw/zinc/72/53/95/604725395.db2.gz PJIMCPKLPOVARN-ZWKOTPCHSA-N -1 0 337.419 3.799 20 0 EHADRM CN(C(=O)c1ccc(Oc2ccccc2)o1)C1(C(=O)[O-])CCCC1 ZINC000830528657 604729004 /nfs/dbraw/zinc/72/90/04/604729004.db2.gz RHJCODHHSULARR-UHFFFAOYSA-N -1 0 329.352 3.541 20 0 EHADRM O=C([O-])CCc1csc(NC(=O)c2ccc3sccc3c2)n1 ZINC000833244123 604729442 /nfs/dbraw/zinc/72/94/42/604729442.db2.gz SIEMHZAYRFFYSK-UHFFFAOYSA-N -1 0 332.406 3.627 20 0 EHADRM CCOc1cc(NC(=O)CCc2ccccc2C(=O)[O-])ccc1C ZINC000679093129 604737920 /nfs/dbraw/zinc/73/79/20/604737920.db2.gz DADFRGJIAZADKA-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM CCC[C@@H](C(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccccc1 ZINC000829184670 604738328 /nfs/dbraw/zinc/73/83/28/604738328.db2.gz NWISIWVVOTVHHP-CQSZACIVSA-N -1 0 332.425 3.683 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000263017927 604749491 /nfs/dbraw/zinc/74/94/91/604749491.db2.gz SWIJUQASKNSSCW-SECBINFHSA-N -1 0 341.194 3.554 20 0 EHADRM C[C@H](NC(=O)NCCCC(=O)[O-])c1ccc(-c2ccc(F)cc2)cc1 ZINC000414645307 604754263 /nfs/dbraw/zinc/75/42/63/604754263.db2.gz PVNPLSPRONFNQY-ZDUSSCGKSA-N -1 0 344.386 3.718 20 0 EHADRM COc1ccc(-c2noc([C@H](C)Oc3ccc(C(=O)[O-])cc3)n2)cc1 ZINC000832134215 604772530 /nfs/dbraw/zinc/77/25/30/604772530.db2.gz NQRBOTBCZAJXOY-NSHDSACASA-N -1 0 340.335 3.583 20 0 EHADRM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000262157357 604775454 /nfs/dbraw/zinc/77/54/54/604775454.db2.gz NQOACXNMDSSHAU-CRAIPNDOSA-N -1 0 337.419 3.722 20 0 EHADRM CC(C)(CNC(=O)Cc1ccccc1C(=O)[O-])c1cccc(Cl)c1 ZINC000262076629 604783903 /nfs/dbraw/zinc/78/39/03/604783903.db2.gz BBKRGKUKFSMDLS-UHFFFAOYSA-N -1 0 345.826 3.675 20 0 EHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)N(C)c1ncc(C(=O)[O-])s1 ZINC000833384978 604784746 /nfs/dbraw/zinc/78/47/46/604784746.db2.gz SGEXCUCSPOMELU-VQHVLOKHSA-N -1 0 336.800 3.561 20 0 EHADRM CC[C@@H](CC(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1)C(C)C ZINC000828770191 604790260 /nfs/dbraw/zinc/79/02/60/604790260.db2.gz FQFFTFPDAWSWQU-HNNXBMFYSA-N -1 0 346.471 3.860 20 0 EHADRM CC(C)(C)c1ccc(O)c(NC(=O)Cc2cccc(C(=O)[O-])c2)c1 ZINC000833449212 604794058 /nfs/dbraw/zinc/79/40/58/604794058.db2.gz PXBRMDIZQOPGQA-UHFFFAOYSA-N -1 0 327.380 3.569 20 0 EHADRM CC(C)c1ccccc1NCC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000827139809 604796161 /nfs/dbraw/zinc/79/61/61/604796161.db2.gz QIWVWEFCUXHZQM-UHFFFAOYSA-N -1 0 341.411 3.628 20 0 EHADRM CC(C)(C)c1nc(NC(=O)CCCC(F)(F)F)sc1C(=O)[O-] ZINC000833450626 604805433 /nfs/dbraw/zinc/80/54/33/604805433.db2.gz GPQTZPJVIVSGFX-UHFFFAOYSA-N -1 0 338.351 3.810 20 0 EHADRM CC(C)(C)OC(=O)c1ccc(C(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000833445299 604806786 /nfs/dbraw/zinc/80/67/86/604806786.db2.gz ZNEMOMWVBFHGAL-UHFFFAOYSA-N -1 0 347.392 3.654 20 0 EHADRM CCN(CC)c1ccc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000829686991 604810211 /nfs/dbraw/zinc/81/02/11/604810211.db2.gz CUSWBOPCXYOSKY-UHFFFAOYSA-N -1 0 330.359 3.622 20 0 EHADRM Cc1cc(OC(C)C)ccc1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000832899425 604813276 /nfs/dbraw/zinc/81/32/76/604813276.db2.gz OMHBHKICKJHUNT-UHFFFAOYSA-N -1 0 331.343 3.872 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccc(F)c(Cl)c1 ZINC000827694714 604814181 /nfs/dbraw/zinc/81/41/81/604814181.db2.gz IWEKCQGZQDRFPR-QMMMGPOBSA-N -1 0 339.725 3.807 20 0 EHADRM C[C@@H](CC(=O)N1CCc2ccc(C(=O)[O-])cc2C1)C1CCCCC1 ZINC000262094416 604814368 /nfs/dbraw/zinc/81/43/68/604814368.db2.gz DDWYBINLWIMVMC-AWEZNQCLSA-N -1 0 329.440 3.876 20 0 EHADRM CC(C)Oc1ccc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)c(F)c1 ZINC000827054666 604816202 /nfs/dbraw/zinc/81/62/02/604816202.db2.gz NZXGZGIQTCCDTP-UHFFFAOYSA-N -1 0 335.306 3.703 20 0 EHADRM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828185576 604823594 /nfs/dbraw/zinc/82/35/94/604823594.db2.gz YZRVHGPCCFUDHV-FZMZJTMJSA-N -1 0 345.345 3.681 20 0 EHADRM C[C@H](c1ccc(F)c(F)c1)N(C)c1nc(Cl)c(C(=O)[O-])s1 ZINC000833548917 604823709 /nfs/dbraw/zinc/82/37/09/604823709.db2.gz UKBTVMLIRAGOPB-ZCFIWIBFSA-N -1 0 332.759 3.970 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@@H]1CCCc2sccc21 ZINC000376528493 604837320 /nfs/dbraw/zinc/83/73/20/604837320.db2.gz QLFYQFIMUMFJIO-OAHLLOKOSA-N -1 0 329.421 3.525 20 0 EHADRM C[C@H](CC(=O)N1CCc2ccccc2[C@H]1C)C1CCN(C(=O)[O-])CC1 ZINC000824606361 604844112 /nfs/dbraw/zinc/84/41/12/604844112.db2.gz PREKVAKATNSVOK-HUUCEWRRSA-N -1 0 344.455 3.549 20 0 EHADRM CC(C)Oc1ccc(COC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000827055165 604847647 /nfs/dbraw/zinc/84/76/47/604847647.db2.gz XGYQYLWOIZQQFW-UHFFFAOYSA-N -1 0 332.327 3.668 20 0 EHADRM Cc1cccc([C@H](C)C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)c1 ZINC000237456358 604849317 /nfs/dbraw/zinc/84/93/17/604849317.db2.gz XQQYOSUZJDQSJH-LBPRGKRZSA-N -1 0 347.798 3.854 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000237471769 604851144 /nfs/dbraw/zinc/85/11/44/604851144.db2.gz XPTPAHORFUEQCR-GFCCVEGCSA-N -1 0 347.798 3.936 20 0 EHADRM C[C@H](CCSc1ccccc1)OC(=O)c1cnccc1C(=O)[O-] ZINC000827421991 604866948 /nfs/dbraw/zinc/86/69/48/604866948.db2.gz HCXMWHRNKHLCDB-GFCCVEGCSA-N -1 0 331.393 3.508 20 0 EHADRM C[C@H](CN(C(=O)C[C@@H](C)Cc1ccc(Cl)cc1)C1CC1)C(=O)[O-] ZINC000191165925 604868830 /nfs/dbraw/zinc/86/88/30/604868830.db2.gz PPIPSPDUSMWWIM-QWHCGFSZSA-N -1 0 337.847 3.620 20 0 EHADRM CC(C)CO[C@@H](C)C(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000833490016 604882276 /nfs/dbraw/zinc/88/22/76/604882276.db2.gz NHCYKMKGZGWNOU-GXFFZTMASA-N -1 0 348.317 3.593 20 0 EHADRM Cc1cc(F)ccc1C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000761895949 604882785 /nfs/dbraw/zinc/88/27/85/604882785.db2.gz DYHJQTBNMIOJCT-HNNXBMFYSA-N -1 0 335.762 3.733 20 0 EHADRM CCc1ccc(CCC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000325423910 604889908 /nfs/dbraw/zinc/88/99/08/604889908.db2.gz IWRJTMCAHMAGLV-QGZVFWFLSA-N -1 0 331.456 3.531 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NCCc2cc3ccccc3[nH]2)cc1 ZINC000833289449 604894310 /nfs/dbraw/zinc/89/43/10/604894310.db2.gz JIUCMCXWXMQCHY-UHFFFAOYSA-N -1 0 338.367 3.622 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000391174904 604896664 /nfs/dbraw/zinc/89/66/64/604896664.db2.gz GDFJJWQRKDCKHS-RNVIBTMRSA-N -1 0 335.831 3.703 20 0 EHADRM CC(C)(C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000236727102 604898796 /nfs/dbraw/zinc/89/87/96/604898796.db2.gz LERGLRCKMSBFAP-UHFFFAOYSA-N -1 0 347.798 3.720 20 0 EHADRM CC1(C)CCC[C@@H]1NC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000828060104 604922759 /nfs/dbraw/zinc/92/27/59/604922759.db2.gz FSKPLAOMTNRBAB-ZDUSSCGKSA-N -1 0 340.807 3.504 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1ccccc1Cl ZINC000237948145 604930810 /nfs/dbraw/zinc/93/08/10/604930810.db2.gz LIWGYQGUXMHFFF-UHFFFAOYSA-N -1 0 331.799 3.847 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000237934139 604935011 /nfs/dbraw/zinc/93/50/11/604935011.db2.gz FJAQKWJQMHKYOS-UHFFFAOYSA-N -1 0 325.408 3.513 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)CCc1ccsc1 ZINC000237934418 604935302 /nfs/dbraw/zinc/93/53/02/604935302.db2.gz UHEXDFIRVZGVAE-UHFFFAOYSA-N -1 0 331.437 3.574 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)c2c[nH]c3cccc(F)c32)cc1 ZINC000833685756 604950451 /nfs/dbraw/zinc/95/04/51/604950451.db2.gz QWYMVOFGPTXAAE-UHFFFAOYSA-N -1 0 327.315 3.674 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)N[C@@H]2CC3CCC2CC3)c1 ZINC000833263327 604956786 /nfs/dbraw/zinc/95/67/86/604956786.db2.gz MJWNHRVSNAZLSQ-LDZOIKDWSA-N -1 0 348.468 3.705 20 0 EHADRM CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ncc(C(=O)[O-])s2)cc1 ZINC000833495058 604962970 /nfs/dbraw/zinc/96/29/70/604962970.db2.gz UTPJAVPALBRFLP-LLVKDONJSA-N -1 0 332.425 3.782 20 0 EHADRM C[C@H](CC(=O)N1C[C@H](C)[C@H]1c1ccccc1)C1CCN(C(=O)[O-])CC1 ZINC000824565045 604970095 /nfs/dbraw/zinc/97/00/95/604970095.db2.gz LAWLUOWUAXIVCE-VCBZYWHSSA-N -1 0 344.455 3.622 20 0 EHADRM Cc1cccc(C(C)(C)NC(=O)Nc2nc(CCC(=O)[O-])cs2)c1 ZINC000832965569 604972185 /nfs/dbraw/zinc/97/21/85/604972185.db2.gz DJHILHZTZGLFHU-UHFFFAOYSA-N -1 0 347.440 3.526 20 0 EHADRM CCOc1cccc2cc([C@H](C)N[C@H](C(=O)[O-])c3cccnc3)oc21 ZINC000830104300 604973085 /nfs/dbraw/zinc/97/30/85/604973085.db2.gz FEWFRXPMVZULJD-SJCJKPOMSA-N -1 0 340.379 3.703 20 0 EHADRM CCC[C@]1(C)CCCN(C(=O)Nc2nc(CCC(=O)[O-])cs2)C1 ZINC000829238679 604977271 /nfs/dbraw/zinc/97/72/71/604977271.db2.gz YWHQKHUTSMDWOM-MRXNPFEDSA-N -1 0 339.461 3.594 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NC1CCC(F)(F)CC1)C(=O)[O-] ZINC000833547013 604980958 /nfs/dbraw/zinc/98/09/58/604980958.db2.gz ZIABNHOOECQAHL-JTQLQIEISA-N -1 0 343.395 3.560 20 0 EHADRM CC(C)COC(=O)Nc1cccc(N[C@H](C(=O)[O-])c2cccnc2)c1 ZINC000826891821 604996005 /nfs/dbraw/zinc/99/60/05/604996005.db2.gz ZWRMGCYUQQSPFV-INIZCTEOSA-N -1 0 343.383 3.524 20 0 EHADRM CCc1nc(NC(=O)C2(c3cc(C)cc(C)c3)CC2)sc1C(=O)[O-] ZINC000833672441 604996065 /nfs/dbraw/zinc/99/60/65/604996065.db2.gz AJBVUNCLLKNXTL-UHFFFAOYSA-N -1 0 344.436 3.691 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3)[nH]2)C1 ZINC000679102760 604997490 /nfs/dbraw/zinc/99/74/90/604997490.db2.gz GETXEXJDBSLCKR-OAHLLOKOSA-N -1 0 340.423 3.645 20 0 EHADRM CCc1nc(NC(=O)C[C@@H](C)c2cccc(F)c2)sc1C(=O)[O-] ZINC000833676167 604998274 /nfs/dbraw/zinc/99/82/74/604998274.db2.gz LTGVQHHLWOVUSG-SECBINFHSA-N -1 0 336.388 3.675 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Nc1scnc1C1CC1)c1ccccc1 ZINC000833411247 605020500 /nfs/dbraw/zinc/02/05/00/605020500.db2.gz ODZIOWZHUBJUDC-MFKMUULPSA-N -1 0 345.424 3.604 20 0 EHADRM COc1ccc2oc(CNc3ccc(CNC(=O)[O-])cc3)cc2c1 ZINC000833734844 605030038 /nfs/dbraw/zinc/03/00/38/605030038.db2.gz GVMUUYSWMPQXCF-UHFFFAOYSA-N -1 0 326.352 3.821 20 0 EHADRM C[C@H](C(=O)Nc1ccc(N(C)C(=O)[O-])cc1)c1c(F)cccc1F ZINC000833409691 605030229 /nfs/dbraw/zinc/03/02/29/605030229.db2.gz PQWMVYPEMPQXQU-JTQLQIEISA-N -1 0 334.322 3.821 20 0 EHADRM C[C@@H](SCc1cccc(Br)c1OC(F)F)C(=O)[O-] ZINC000833542851 605057748 /nfs/dbraw/zinc/05/77/48/605057748.db2.gz LECRSUAUCOTISE-ZCFIWIBFSA-N -1 0 341.173 3.757 20 0 EHADRM C[C@@H]1CC(=O)c2c1c(F)ccc2OCc1ccccc1CC(=O)[O-] ZINC000833591707 605058009 /nfs/dbraw/zinc/05/80/09/605058009.db2.gz HMXPEXTVHGLCOW-LLVKDONJSA-N -1 0 328.339 3.722 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000521747332 605063425 /nfs/dbraw/zinc/06/34/25/605063425.db2.gz YDHHREOZJQDDOA-JXCVUKRWSA-N -1 0 341.451 3.927 20 0 EHADRM C[C@]1(CNC(=O)c2ccc(NC(=O)[O-])cc2)CCCc2ccccc21 ZINC000833563312 605065557 /nfs/dbraw/zinc/06/55/57/605065557.db2.gz HHELZVSYYSFLSZ-HXUWFJFHSA-N -1 0 338.407 3.801 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)CCO1 ZINC000833470785 605073590 /nfs/dbraw/zinc/07/35/90/605073590.db2.gz LPZNHLFEQMTRCF-NHYWBVRUSA-N -1 0 338.379 3.695 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CCO1 ZINC000833469467 605076698 /nfs/dbraw/zinc/07/66/98/605076698.db2.gz AFBWDJIXBXXBOX-NHYWBVRUSA-N -1 0 339.819 3.818 20 0 EHADRM C[C@@H]1CC/C(=C\C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)C1 ZINC000833600271 605093888 /nfs/dbraw/zinc/09/38/88/605093888.db2.gz CXNMYGAPTHHTIF-YIXGCBLDSA-N -1 0 338.201 3.832 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@@](C)(c1ccc(F)cc1)C(F)(F)F ZINC000833452922 605097104 /nfs/dbraw/zinc/09/71/04/605097104.db2.gz YIUKAJRXKCYPTD-HNNXBMFYSA-N -1 0 349.324 3.610 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)Nc1cc(C)c(C(=O)[O-])s1 ZINC000833641567 605101964 /nfs/dbraw/zinc/10/19/64/605101964.db2.gz GCGYNBICODVSCG-UHFFFAOYSA-N -1 0 335.429 3.873 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(Nc2ccccc2)nc1 ZINC000833454785 605108063 /nfs/dbraw/zinc/10/80/63/605108063.db2.gz QCSBTIOPGYWTTQ-UHFFFAOYSA-N -1 0 327.384 3.655 20 0 EHADRM CCOc1cc(Cl)ccc1CNC(=O)c1cccc(NC(=O)[O-])c1 ZINC000833660939 605108101 /nfs/dbraw/zinc/10/81/01/605108101.db2.gz WXSKZKSHDCYGAZ-UHFFFAOYSA-N -1 0 348.786 3.759 20 0 EHADRM CCOc1cc(Cl)ccc1CNC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000833660032 605108586 /nfs/dbraw/zinc/10/85/86/605108586.db2.gz APYPEGWBGNZYHR-UHFFFAOYSA-N -1 0 348.786 3.759 20 0 EHADRM Cc1oc(CNCc2coc(-c3ccc(C)cc3)n2)cc1C(=O)[O-] ZINC000833746853 605116807 /nfs/dbraw/zinc/11/68/07/605116807.db2.gz SDUBQCCIEVHGDH-UHFFFAOYSA-N -1 0 326.352 3.539 20 0 EHADRM CC[C@@H](C)OCC(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C1CC1 ZINC000833640700 605117246 /nfs/dbraw/zinc/11/72/46/605117246.db2.gz AGRRWDQDVCWMIQ-LLVKDONJSA-N -1 0 345.395 3.703 20 0 EHADRM C[C@H](OC(=O)C1CCC(C(=O)[O-])CC1)c1c(F)cccc1Cl ZINC000833528722 605119767 /nfs/dbraw/zinc/11/97/67/605119767.db2.gz PQMBPGJKEWLDCY-WHXUTIOJSA-N -1 0 328.767 3.974 20 0 EHADRM C[C@H]1CC[C@@H](NC(=O)N2CCC(CCC(=O)[O-])CC2)c2ccccc21 ZINC000659400159 605125893 /nfs/dbraw/zinc/12/58/93/605125893.db2.gz OZKOWMIRLSZPGF-KBXCAEBGSA-N -1 0 344.455 3.911 20 0 EHADRM C[C@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000833547967 605134317 /nfs/dbraw/zinc/13/43/17/605134317.db2.gz HCNWUHJFNUCSIT-SNVBAGLBSA-N -1 0 348.786 3.969 20 0 EHADRM C[C@@H]1C[C@@H](C)CN(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])C1 ZINC000325740872 605135448 /nfs/dbraw/zinc/13/54/48/605135448.db2.gz CGJPRLIQABAFQK-NXEZZACHSA-N -1 0 344.333 3.913 20 0 EHADRM Cc1cc(Cl)ncc1NC(=O)[C@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000830049924 605146682 /nfs/dbraw/zinc/14/66/82/605146682.db2.gz DMSBGTAMIFXVMK-ABAIWWIYSA-N -1 0 347.802 3.627 20 0 EHADRM C[C@H]1CC[C@H](C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)C1 ZINC000833601591 605153812 /nfs/dbraw/zinc/15/38/12/605153812.db2.gz MGGWKIYCNSYHMG-STQMWFEESA-N -1 0 327.380 3.678 20 0 EHADRM CC(C)C1CN(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)C1 ZINC000833470685 605154908 /nfs/dbraw/zinc/15/49/08/605154908.db2.gz FCGRMWTXTBJTDN-UHFFFAOYSA-N -1 0 336.457 3.514 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)c1C(C)C ZINC000833400915 605159231 /nfs/dbraw/zinc/15/92/31/605159231.db2.gz PCDLNCOSVGUSEM-NSHDSACASA-N -1 0 347.367 3.858 20 0 EHADRM Cc1c(C(=O)[O-])csc1NC(=O)c1ccc(N2CCC(C)=N2)cc1 ZINC000833582986 605159232 /nfs/dbraw/zinc/15/92/32/605159232.db2.gz BFKZFOXFPGNMDL-UHFFFAOYSA-N -1 0 343.408 3.593 20 0 EHADRM CC(C)C1CN(C(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000833472553 605164933 /nfs/dbraw/zinc/16/49/33/605164933.db2.gz XLRDWYADIVZTFG-UHFFFAOYSA-N -1 0 330.306 3.523 20 0 EHADRM C[C@@H](Nc1cncc(C(=O)[O-])n1)c1ccccc1OCc1ccccc1 ZINC000833739250 605180888 /nfs/dbraw/zinc/18/08/88/605180888.db2.gz VYPWCFJAFYFMFE-CQSZACIVSA-N -1 0 349.390 3.927 20 0 EHADRM CC(C)CCOc1ccc([C@H](C)Nc2cncc(C(=O)[O-])n2)cc1 ZINC000833484472 605181762 /nfs/dbraw/zinc/18/17/62/605181762.db2.gz QIFHRHGAXXPEEG-ZDUSSCGKSA-N -1 0 329.400 3.773 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2ccccc2C(C)C)c(C(=O)[O-])c1 ZINC000833751288 605184713 /nfs/dbraw/zinc/18/47/13/605184713.db2.gz SQJSULPIOIXMKG-UHFFFAOYSA-N -1 0 333.409 3.617 20 0 EHADRM CC[C@@H](C)Oc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2C)ccn1 ZINC000190870325 605200784 /nfs/dbraw/zinc/20/07/84/605200784.db2.gz BYKVFSIBIXMQOQ-GFCCVEGCSA-N -1 0 328.368 3.518 20 0 EHADRM C[C@@H]1Cc2ccccc2CN1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833632833 605211947 /nfs/dbraw/zinc/21/19/47/605211947.db2.gz OXKPIOYEONIGHW-CQSZACIVSA-N -1 0 348.402 3.987 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000431215300 605229799 /nfs/dbraw/zinc/22/97/99/605229799.db2.gz CEYKYLNXPRSNKW-APWZRJJASA-N -1 0 339.435 3.978 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000621557542 605246279 /nfs/dbraw/zinc/24/62/79/605246279.db2.gz JVIDDZNHAMJWIX-HNNXBMFYSA-N -1 0 337.419 3.886 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(C(=O)[O-])nc1)c1ccc(Cl)c(Cl)c1 ZINC000833407898 605249900 /nfs/dbraw/zinc/24/99/00/605249900.db2.gz DRKKPLCMUGYXOZ-MRVPVSSYSA-N -1 0 339.178 3.829 20 0 EHADRM C[C@H](C(=O)Nc1ccc(C(=O)[O-])nc1)c1ccc(Cl)c(Cl)c1 ZINC000833407900 605249961 /nfs/dbraw/zinc/24/99/61/605249961.db2.gz DRKKPLCMUGYXOZ-QMMMGPOBSA-N -1 0 339.178 3.829 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000761622138 605250433 /nfs/dbraw/zinc/25/04/33/605250433.db2.gz XIUHXVUJGKCQKC-APWZRJJASA-N -1 0 339.435 3.930 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000263027296 605254225 /nfs/dbraw/zinc/25/42/25/605254225.db2.gz ZAACMZKKJGVIIH-HNNXBMFYSA-N -1 0 325.408 3.911 20 0 EHADRM CCc1nc2cc(NC(=O)CN(C(=O)[O-])c3ccccc3)ccc2o1 ZINC000827637650 605268971 /nfs/dbraw/zinc/26/89/71/605268971.db2.gz WGGUDVARXXGJLQ-UHFFFAOYSA-N -1 0 339.351 3.513 20 0 EHADRM C[C@H](OC(=O)[C@H]1CCc2c1cccc2Cl)c1ccc(C(=O)[O-])o1 ZINC000833529384 605276592 /nfs/dbraw/zinc/27/65/92/605276592.db2.gz SWQGQIJXWUDWDN-CABZTGNLSA-N -1 0 334.755 3.965 20 0 EHADRM CC(C)Oc1cccc(CC(=O)OCc2ccc(NC(=O)[O-])cc2)c1 ZINC000833507171 605303785 /nfs/dbraw/zinc/30/37/85/605303785.db2.gz XGQOTXUVZYGVOJ-UHFFFAOYSA-N -1 0 343.379 3.850 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@@H](CCc1ccccc1)C(F)(F)F ZINC000833452429 605318658 /nfs/dbraw/zinc/31/86/58/605318658.db2.gz GCUKNUMNQJXELF-ZDUSSCGKSA-N -1 0 345.361 3.557 20 0 EHADRM Cc1ccccc1CC1CN(C(=O)c2ccc(NC(=O)[O-])c(C)c2)C1 ZINC000830567144 605326819 /nfs/dbraw/zinc/32/68/19/605326819.db2.gz MCPRDMPRBNVZCB-UHFFFAOYSA-N -1 0 338.407 3.708 20 0 EHADRM Cc1ccc(-c2nc(CNc3cncc(C(=O)[O-])c3)cs2)cc1 ZINC000833746352 605327414 /nfs/dbraw/zinc/32/74/14/605327414.db2.gz ALRFDZBHPTZDSW-UHFFFAOYSA-N -1 0 325.393 3.824 20 0 EHADRM CC[C@@H]1CN(C(=O)C[C@@H](c2ccccc2)C(C)C)CC[C@@H]1NC(=O)[O-] ZINC000833849976 605340030 /nfs/dbraw/zinc/34/00/30/605340030.db2.gz UQVRXNPUYXHOMJ-NXHRZFHOSA-N -1 0 346.471 3.711 20 0 EHADRM CC[C@@H]1CN(C(=O)C[C@H](c2ccccc2)C(C)C)CC[C@H]1NC(=O)[O-] ZINC000833849973 605340463 /nfs/dbraw/zinc/34/04/63/605340463.db2.gz UQVRXNPUYXHOMJ-BPQIPLTHSA-N -1 0 346.471 3.711 20 0 EHADRM O=C([O-])c1ccccc1COc1ccc(NC(=O)c2ccco2)cc1 ZINC000833770029 605351928 /nfs/dbraw/zinc/35/19/28/605351928.db2.gz UNHHHBNULRIJGI-UHFFFAOYSA-N -1 0 337.331 3.809 20 0 EHADRM O=C([O-])NC[C@H]1CCN(c2nc(-c3ccccc3Cl)cs2)C1 ZINC000834226254 605355272 /nfs/dbraw/zinc/35/52/72/605355272.db2.gz VRBJZJXQUBIKPC-SNVBAGLBSA-N -1 0 337.832 3.557 20 0 EHADRM CC[C@H]1CN(C(=O)c2ccc(-c3ccco3)s2)CC[C@H]1NC(=O)[O-] ZINC000833852106 605363008 /nfs/dbraw/zinc/36/30/08/605363008.db2.gz XJARNJHWMLEWMX-NWDGAFQWSA-N -1 0 348.424 3.516 20 0 EHADRM CCN(Cc1ccccc1NC(=O)c1ccc(F)cc1C)C(=O)[O-] ZINC000827186705 605366992 /nfs/dbraw/zinc/36/69/92/605366992.db2.gz BNDQPOOTBMHUFH-UHFFFAOYSA-N -1 0 330.359 3.886 20 0 EHADRM CC(C)(C)OC(=O)CCCCN1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000833433806 605380947 /nfs/dbraw/zinc/38/09/47/605380947.db2.gz MCTKCPRQMDADHZ-CQSZACIVSA-N -1 0 333.428 3.577 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)Nc1cc(C(=O)[O-])cs1)C(F)(F)F ZINC000833423245 605400036 /nfs/dbraw/zinc/40/00/36/605400036.db2.gz GITJXRIEWONFSE-MRVPVSSYSA-N -1 0 338.351 3.935 20 0 EHADRM C[C@@H](c1ccc(F)cc1)N(C)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000833548696 605438016 /nfs/dbraw/zinc/43/80/16/605438016.db2.gz RPHBOPNIHUBZNL-ZDUSSCGKSA-N -1 0 336.407 3.563 20 0 EHADRM O=C([O-])NCCC(=O)Nc1ccccc1Oc1ccccc1Cl ZINC000739947332 605453860 /nfs/dbraw/zinc/45/38/60/605453860.db2.gz VMJBQRIRKIHIOO-UHFFFAOYSA-N -1 0 334.759 3.729 20 0 EHADRM CC(C)(C)Sc1cc(C(=O)OCc2cc(C(=O)[O-])co2)ccn1 ZINC000833448216 605458338 /nfs/dbraw/zinc/45/83/38/605458338.db2.gz RHBKUWYACOKRKD-UHFFFAOYSA-N -1 0 335.381 3.620 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)OCc2ccccc2CC(=O)[O-])cc1 ZINC000833748069 605462303 /nfs/dbraw/zinc/46/23/03/605462303.db2.gz CDZGWAQKLMIWNY-HNNXBMFYSA-N -1 0 326.392 3.544 20 0 EHADRM C[C@@H](CSCc1ccccc1)c1nc(C[C@H](C)N(C)C(=O)[O-])no1 ZINC000825015598 605475672 /nfs/dbraw/zinc/47/56/72/605475672.db2.gz HPHXAQZABXMFDI-STQMWFEESA-N -1 0 349.456 3.647 20 0 EHADRM O=C([O-])N1CCC[C@H]1CCC(=O)N1CCCCC[C@H]1c1ccco1 ZINC000833995699 605476270 /nfs/dbraw/zinc/47/62/70/605476270.db2.gz PSUKCEBCPJTMMG-GJZGRUSLSA-N -1 0 334.416 3.646 20 0 EHADRM CCn1c2cc(F)ccc2nc1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000833684292 605480134 /nfs/dbraw/zinc/48/01/34/605480134.db2.gz WWBCCSXDROKVQP-UHFFFAOYSA-N -1 0 342.330 3.538 20 0 EHADRM CC(C)CCO[C@@H](C)C(=O)O[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833483344 605506051 /nfs/dbraw/zinc/50/60/51/605506051.db2.gz ISQYGPMJFRDQCF-HZMBPMFUSA-N -1 0 346.782 3.599 20 0 EHADRM Cc1nc([C@H](C)NCc2ccc([C@H](C)NC(=O)[O-])cc2)c(C)s1 ZINC000830710162 605513535 /nfs/dbraw/zinc/51/35/35/605513535.db2.gz ZQFIDGGLIPOVCA-QWRGUYRKSA-N -1 0 333.457 3.939 20 0 EHADRM CCCOc1ccccc1NC(=O)C[C@@H](NC(=O)[O-])c1ccccc1 ZINC000826944674 605573465 /nfs/dbraw/zinc/57/34/65/605573465.db2.gz FGVQFJYUNXQUNL-MRXNPFEDSA-N -1 0 342.395 3.813 20 0 EHADRM Cc1cc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)ccc1NC(=O)[O-] ZINC000829938938 605577780 /nfs/dbraw/zinc/57/77/80/605577780.db2.gz AGPZJYPIZHRMRS-SNVBAGLBSA-N -1 0 334.322 3.854 20 0 EHADRM O=C([O-])N[C@@H](CC(=O)Oc1ccc2ccncc2c1)c1ccccc1 ZINC000834131354 605577897 /nfs/dbraw/zinc/57/78/97/605577897.db2.gz UJJWVAIZQWIDSH-KRWDZBQOSA-N -1 0 336.347 3.539 20 0 EHADRM Cc1cc(C(=O)NCCSc2ccccc2)ccc1NC(=O)[O-] ZINC000829949964 605583480 /nfs/dbraw/zinc/58/34/80/605583480.db2.gz DGBWGHSOKYKBPS-UHFFFAOYSA-N -1 0 330.409 3.607 20 0 EHADRM Cc1nc2ccc(NC(=O)c3ccc(NC(=O)[O-])c(C)c3)cc2o1 ZINC000830793278 605594329 /nfs/dbraw/zinc/59/43/29/605594329.db2.gz PDZRIKPGSZFGOV-UHFFFAOYSA-N -1 0 325.324 3.787 20 0 EHADRM Cc1cc(C(=O)N2CCCc3cc(F)cc(F)c32)ccc1NC(=O)[O-] ZINC000829930244 605627548 /nfs/dbraw/zinc/62/75/48/605627548.db2.gz MEQUTRRLGRVVQK-UHFFFAOYSA-N -1 0 346.333 3.956 20 0 EHADRM CCCCn1ncc(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)c1C ZINC000826853613 605664674 /nfs/dbraw/zinc/66/46/74/605664674.db2.gz PBYIFPXPFSAKPR-GFCCVEGCSA-N -1 0 344.415 3.573 20 0 EHADRM O=C([O-])NC1CCC(Nc2cccc(COCc3ccco3)c2)CC1 ZINC000834170440 605696269 /nfs/dbraw/zinc/69/62/69/605696269.db2.gz ZVOPJIGYRFCIAS-UHFFFAOYSA-N -1 0 344.411 3.987 20 0 EHADRM Cc1cc(C(=O)N(C[C@@H]2CCCO2)C2CCCC2)ccc1NC(=O)[O-] ZINC000829914473 605701726 /nfs/dbraw/zinc/70/17/26/605701726.db2.gz LDCDRZFTMCUMRH-INIZCTEOSA-N -1 0 346.427 3.649 20 0 EHADRM Cc1cc(C(=O)N2CCCC[C@H]2c2nccs2)ccc1NC(=O)[O-] ZINC000829930586 605701950 /nfs/dbraw/zinc/70/19/50/605701950.db2.gz YHUVIACXWUYEMV-AWEZNQCLSA-N -1 0 345.424 3.909 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1cc(-c2cccc(Cl)c2)[nH]n1 ZINC000833455821 605704730 /nfs/dbraw/zinc/70/47/30/605704730.db2.gz XXRYXFDHPKUVEU-UHFFFAOYSA-N -1 0 335.791 3.560 20 0 EHADRM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000833603874 605707292 /nfs/dbraw/zinc/70/72/92/605707292.db2.gz BWKHVLBTQDCRSF-MWLCHTKSSA-N -1 0 330.306 3.580 20 0 EHADRM Cc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)nc1 ZINC000833748345 605715879 /nfs/dbraw/zinc/71/58/79/605715879.db2.gz ZKUUNHJCTLVPKK-CYBMUJFWSA-N -1 0 340.162 3.680 20 0 EHADRM CC(=O)Nc1cc(NCc2cc(C(=O)[O-])ccc2Cl)ccc1C ZINC000833398892 605783399 /nfs/dbraw/zinc/78/33/99/605783399.db2.gz WLCVXNIUPXQLJG-UHFFFAOYSA-N -1 0 332.787 3.917 20 0 EHADRM C[C@H](C(=O)Nc1scnc1C1CC1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000833790997 605783913 /nfs/dbraw/zinc/78/39/13/605783913.db2.gz RPCBWEOXRMIWIV-GXFFZTMASA-N -1 0 345.424 3.604 20 0 EHADRM C[C@@H](C(=O)Oc1ccc(CC(=O)[O-])cc1F)c1cccc(Cl)c1 ZINC000833410382 605798676 /nfs/dbraw/zinc/79/86/76/605798676.db2.gz XITJWMVKLAKCCC-SNVBAGLBSA-N -1 0 336.746 3.815 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)C2(c3ccc(Cl)cc3)CC2)c(F)c1 ZINC000833775440 605799786 /nfs/dbraw/zinc/79/97/86/605799786.db2.gz IOZIZUKBUXEKLH-UHFFFAOYSA-N -1 0 348.757 3.743 20 0 EHADRM Cc1cc(C(=O)N2CCc3[nH]c4ccccc4c3C2)ccc1NC(=O)[O-] ZINC000829935064 605803731 /nfs/dbraw/zinc/80/37/31/605803731.db2.gz VTESVIYQKLBVTB-UHFFFAOYSA-N -1 0 349.390 3.765 20 0 EHADRM Cc1ccc(C(=O)N2CC(C)(C)Oc3ccccc32)cc1NC(=O)[O-] ZINC000830188004 605806454 /nfs/dbraw/zinc/80/64/54/605806454.db2.gz UKLRZAQPTWMITJ-UHFFFAOYSA-N -1 0 340.379 3.903 20 0 EHADRM O=C([O-])N[C@@H]1C[C@@H](NC2(c3ccccc3F)CC2)c2ccccc21 ZINC000834159238 605811396 /nfs/dbraw/zinc/81/13/96/605811396.db2.gz OMOYKNSAFJKYMV-IAGOWNOFSA-N -1 0 326.371 3.858 20 0 EHADRM O=C([O-])N[C@H]1C[C@H](NC2(c3ccccc3F)CC2)c2ccccc21 ZINC000834159240 605811634 /nfs/dbraw/zinc/81/16/34/605811634.db2.gz OMOYKNSAFJKYMV-IRXDYDNUSA-N -1 0 326.371 3.858 20 0 EHADRM O=C([O-])NCCCCC(=O)N1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000834235819 605925850 /nfs/dbraw/zinc/92/58/50/605925850.db2.gz YTJPAZLIZIELMR-KAUXGEHWSA-N -1 0 344.455 3.909 20 0 EHADRM O=C([O-])N[C@@H](C(=O)Nc1ccc(-c2ccc[nH]2)cc1)c1ccccc1 ZINC000834251317 605976227 /nfs/dbraw/zinc/97/62/27/605976227.db2.gz NLSZTIHMXPJZSY-QGZVFWFLSA-N -1 0 335.363 3.629 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)CCc2ccc3[nH]ccc3c2)c1 ZINC000834260908 605993958 /nfs/dbraw/zinc/99/39/58/605993958.db2.gz BUCKUURWBSTSBX-UHFFFAOYSA-N -1 0 341.342 3.968 20 0 EHADRM O=C([O-])N1CCC(CCC(=O)N2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000834077074 606004995 /nfs/dbraw/zinc/00/49/95/606004995.db2.gz VEVZWNVKNMMTNW-QGZVFWFLSA-N -1 0 348.418 3.659 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)c1ccc(-c2cnco2)cc1 ZINC000833906004 606005304 /nfs/dbraw/zinc/00/53/04/606005304.db2.gz GKQHDKHNYLABIH-UHFFFAOYSA-N -1 0 337.335 3.992 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCc1ncc(C(C)(C)C)o1 ZINC000833906917 606012214 /nfs/dbraw/zinc/01/22/14/606012214.db2.gz ROFPGGBEHIRIDQ-UHFFFAOYSA-N -1 0 346.387 3.692 20 0 EHADRM CC(C)c1ocnc1C(=O)OCCCc1cccc(NC(=O)[O-])c1 ZINC000833800451 606020629 /nfs/dbraw/zinc/02/06/29/606020629.db2.gz WZFBNEOUEOIKEX-UHFFFAOYSA-N -1 0 332.356 3.678 20 0 EHADRM O=C([O-])N1CCC[C@@H](Nc2cccc(OCc3cccnc3)c2)CC1 ZINC000834104451 606035862 /nfs/dbraw/zinc/03/58/62/606035862.db2.gz KRELLTYHDYUUKZ-MRXNPFEDSA-N -1 0 341.411 3.605 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000834270152 606059472 /nfs/dbraw/zinc/05/94/72/606059472.db2.gz AQJWLBDSRCIDOK-CQSZACIVSA-N -1 0 345.424 3.529 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000237390060 939046371 /nfs/dbraw/zinc/04/63/71/939046371.db2.gz ACACMMIZIQOKSA-ABAIWWIYSA-N -1 0 349.839 3.763 20 0 EHADRM Cc1cc(C(=O)NC2(C(=O)[O-])CCC2)sc1-c1ccc(F)cc1 ZINC000237712065 939048535 /nfs/dbraw/zinc/04/85/35/939048535.db2.gz ZJVWHURJVCKRBH-UHFFFAOYSA-N -1 0 333.384 3.600 20 0 EHADRM Cc1nc(-c2ccccc2)ccc1C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000237701220 939048674 /nfs/dbraw/zinc/04/86/74/939048674.db2.gz OWUVPVWJHUXFPZ-UHFFFAOYSA-N -1 0 338.407 3.574 20 0 EHADRM Cc1cc2occ(CC(=O)N[C@H](C(=O)[O-])c3ccccc3)c2cc1C ZINC000237916429 939051643 /nfs/dbraw/zinc/05/16/43/939051643.db2.gz LZDDYDBJTZGBEG-IBGZPJMESA-N -1 0 337.375 3.534 20 0 EHADRM Cc1ccc([C@@H](NC(=O)[C@H](C)c2c(F)cccc2F)C(=O)[O-])cc1C ZINC000263521191 939114103 /nfs/dbraw/zinc/11/41/03/939114103.db2.gz HIQSAUSVVYXVHB-SJKOYZFVSA-N -1 0 347.361 3.627 20 0 EHADRM Cc1ccc(SCCC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000324472790 939125662 /nfs/dbraw/zinc/12/56/62/939125662.db2.gz HKDFFHFHPDZYRB-IBGZPJMESA-N -1 0 343.448 3.593 20 0 EHADRM C[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1)c1ccsc1 ZINC000345773864 939128443 /nfs/dbraw/zinc/12/84/43/939128443.db2.gz BIJGDORXOQMHOO-OQPBUACISA-N -1 0 341.791 3.586 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CCC[C@@H](F)C1)c1ccc2ccccc2c1 ZINC000425244588 939141486 /nfs/dbraw/zinc/14/14/86/939141486.db2.gz SCTCHGGAQOVVSI-ZACQAIPSSA-N -1 0 329.371 3.610 20 0 EHADRM Cc1csc(NC(=O)N[C@@H](C(=O)[O-])c2cccc3ccccc32)n1 ZINC000788317309 939148757 /nfs/dbraw/zinc/14/87/57/939148757.db2.gz CBPKPHNEYUIBAG-CQSZACIVSA-N -1 0 341.392 3.552 20 0 EHADRM CC(C)c1ccc(SCC(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000428069658 939148767 /nfs/dbraw/zinc/14/87/67/939148767.db2.gz KXVUXXADAQMGGN-GOSISDBHSA-N -1 0 343.448 3.844 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)NC2(C(=O)[O-])CCCCC2)c1 ZINC000797432100 939158370 /nfs/dbraw/zinc/15/83/70/939158370.db2.gz LTXMGSXAVMQACF-OAHLLOKOSA-N -1 0 347.455 3.873 20 0 EHADRM CC[C@@H](NC(=O)NC1(C(=O)[O-])CCCCCC1)c1ccccc1OC ZINC000797706975 939164694 /nfs/dbraw/zinc/16/46/94/939164694.db2.gz HQWXZQMSDPZBGQ-OAHLLOKOSA-N -1 0 348.443 3.623 20 0 EHADRM CC(C)Sc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccs2)cc1 ZINC000448992829 939205764 /nfs/dbraw/zinc/20/57/64/939205764.db2.gz MGIZQTKEGLOFMN-CQSZACIVSA-N -1 0 335.450 3.804 20 0 EHADRM Cc1nc(-c2ccc(C(=O)NC3(C(=O)[O-])CCCCC3)cc2)cs1 ZINC000836717518 939223753 /nfs/dbraw/zinc/22/37/53/939223753.db2.gz FBDDBQOWQBSTRV-UHFFFAOYSA-N -1 0 344.436 3.636 20 0 EHADRM CC[C@@](NC(=O)c1cccc2ccccc21)(C(=O)[O-])c1ccccc1 ZINC000485366661 939226857 /nfs/dbraw/zinc/22/68/57/939226857.db2.gz GGJGFQAUEPNAPJ-NRFANRHFSA-N -1 0 333.387 3.960 20 0 EHADRM CC[C@](NC(=O)Nc1ccc(C)c(C)c1)(C(=O)[O-])c1ccccc1 ZINC000515454991 939241463 /nfs/dbraw/zinc/24/14/63/939241463.db2.gz IAIJWSYOXZEFHR-LJQANCHMSA-N -1 0 326.396 3.815 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(OC(F)F)c(F)c2)c(F)c1 ZINC001610834804 970768005 /nfs/dbraw/zinc/76/80/05/970768005.db2.gz QUJDUYPSXBCJQL-UHFFFAOYSA-N -1 0 343.232 3.517 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC000516705386 939245467 /nfs/dbraw/zinc/24/54/67/939245467.db2.gz ZRAKDANTAKRDLH-CQSZACIVSA-N -1 0 332.425 3.993 20 0 EHADRM CC[C@](NC(=O)NCCC1=CCCCC1)(C(=O)[O-])c1ccccc1 ZINC000517067713 939247210 /nfs/dbraw/zinc/24/72/10/939247210.db2.gz LALULDUFKJEDFW-LJQANCHMSA-N -1 0 330.428 3.566 20 0 EHADRM CSCCCCCCC(=O)N[C@@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC000864147263 939252171 /nfs/dbraw/zinc/25/21/71/939252171.db2.gz IZWRUDFFCAFFGP-QGZVFWFLSA-N -1 0 337.485 3.859 20 0 EHADRM CC[C@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc(OC(F)F)cc1)C(C)C ZINC000537402868 939269175 /nfs/dbraw/zinc/26/91/75/939269175.db2.gz JZTSSVRUNSVYJO-IAQYHMDHSA-N -1 0 343.370 3.602 20 0 EHADRM Cc1ccc(CCC(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC000540666897 939289177 /nfs/dbraw/zinc/28/91/77/939289177.db2.gz GVACPVUNAUUYLJ-QGZVFWFLSA-N -1 0 349.789 3.662 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)NC2(C(=O)[O-])CCCCCC2)c1 ZINC000563589927 939339591 /nfs/dbraw/zinc/33/95/91/939339591.db2.gz QWMOIUIRDYWJQC-ZDUSSCGKSA-N -1 0 334.416 3.693 20 0 EHADRM Cc1cc(C)cc([C@@H](NC(=O)Nc2ccc(F)cc2F)C(=O)[O-])c1 ZINC000564155864 939343368 /nfs/dbraw/zinc/34/33/68/939343368.db2.gz YNEDUIZIVGNBJY-OAHLLOKOSA-N -1 0 334.322 3.529 20 0 EHADRM CSc1cccc(NC(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)c1 ZINC000565583228 939349595 /nfs/dbraw/zinc/34/95/95/939349595.db2.gz HPICCQJMUHHDHE-INIZCTEOSA-N -1 0 344.436 3.973 20 0 EHADRM O=C([O-])[C@H](NC(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cccs1 ZINC000568584780 939368408 /nfs/dbraw/zinc/36/84/08/939368408.db2.gz QHHPFIKFPIFXKX-KYEXWDHISA-N -1 0 336.457 3.532 20 0 EHADRM CC1(C)C[C@@H](NC(=O)N[C@H](C(=O)[O-])c2cccs2)c2ccccc21 ZINC000570629329 939385114 /nfs/dbraw/zinc/38/51/14/939385114.db2.gz XQYWRDDERZDCER-HIFRSBDPSA-N -1 0 344.436 3.596 20 0 EHADRM Cc1coc(-c2cccc(NC(=O)NC3(C(=O)[O-])CCCCC3)c2)n1 ZINC000571962115 939395541 /nfs/dbraw/zinc/39/55/41/939395541.db2.gz BUXNOUWYNOLOHA-UHFFFAOYSA-N -1 0 343.383 3.559 20 0 EHADRM Cc1ccc([C@H](NC(=O)Nc2ccc(Cl)cc2)C(=O)[O-])cc1C ZINC000575859089 939734880 /nfs/dbraw/zinc/73/48/80/939734880.db2.gz PGKZWXRSAHOMRY-HNNXBMFYSA-N -1 0 332.787 3.904 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2cscc2C(F)F)C(=O)[O-])c1C ZINC000909801373 939738417 /nfs/dbraw/zinc/73/84/17/939738417.db2.gz MEBUWEJUZAHUPI-CYBMUJFWSA-N -1 0 339.363 3.858 20 0 EHADRM CSCc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccsc2)c1 ZINC000581862282 939780641 /nfs/dbraw/zinc/78/06/41/939780641.db2.gz LPDGJLOLPYAWGF-ZDUSSCGKSA-N -1 0 336.438 3.559 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1 ZINC000582463341 939784834 /nfs/dbraw/zinc/78/48/34/939784834.db2.gz ACAVLTLYNVOHGM-QAPCUYQASA-N -1 0 340.423 3.798 20 0 EHADRM Cc1cc(C(F)F)oc1C(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC000630190947 939815759 /nfs/dbraw/zinc/81/57/59/939815759.db2.gz RMQBZQQZKZGJSJ-LBPRGKRZSA-N -1 0 341.285 3.529 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2ccc3c(c2)C=CCCC3)CCSCC1 ZINC000656506423 939844016 /nfs/dbraw/zinc/84/40/16/939844016.db2.gz PLWKQZUYAYUUFR-UHFFFAOYSA-N -1 0 346.452 3.508 20 0 EHADRM COc1cccc([C@H](NC(=O)CC[C@@H](C)c2ccccc2)C(=O)[O-])c1 ZINC000659174900 939849070 /nfs/dbraw/zinc/84/90/70/939849070.db2.gz KAHBGALSFGYLSU-KUHUBIRLSA-N -1 0 341.407 3.521 20 0 EHADRM Cc1ccccc1CNc1ccccc1NC(=O)[C@H](C(=O)[O-])C1CC1 ZINC000663051731 939851507 /nfs/dbraw/zinc/85/15/07/939851507.db2.gz XTYLAKBFGVDBAK-GOSISDBHSA-N -1 0 338.407 3.656 20 0 EHADRM O=C([O-])[C@@H](C(=O)N[C@@H]1CCc2ccc(-c3ccccc3)cc21)C1CC1 ZINC000663051893 939851676 /nfs/dbraw/zinc/85/16/76/939851676.db2.gz GWPBHOAQPAWLFN-RTBURBONSA-N -1 0 335.403 3.568 20 0 EHADRM CC(C)Oc1cccc([C@H](C)NC(=O)[C@@H](C(=O)[O-])C2CCCC2)c1 ZINC000663087382 939853732 /nfs/dbraw/zinc/85/37/32/939853732.db2.gz YQEGETNVMCNGDB-GUYCJALGSA-N -1 0 333.428 3.542 20 0 EHADRM Cc1cc(Br)ccc1NC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC000663093628 939854308 /nfs/dbraw/zinc/85/43/08/939854308.db2.gz ZWBPCHKMNOZBMH-CYBMUJFWSA-N -1 0 340.217 3.587 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1ccc(Oc2ccccn2)cc1)C1CCCC1 ZINC000663101553 939854733 /nfs/dbraw/zinc/85/47/33/939854733.db2.gz SPQZAQNQOZZKJA-QGZVFWFLSA-N -1 0 340.379 3.703 20 0 EHADRM CC(C)(c1ccc(C(=O)N[C@](C)(C(=O)[O-])C2CC2)cc1)C(F)(F)F ZINC000668277747 939860669 /nfs/dbraw/zinc/86/06/69/939860669.db2.gz PFQXZIVBAUAHHD-INIZCTEOSA-N -1 0 343.345 3.510 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccccc1F ZINC000683318021 939870872 /nfs/dbraw/zinc/87/08/72/939870872.db2.gz DWEPOLIUBSZXTB-CFAJVAMVSA-N -1 0 333.403 3.674 20 0 EHADRM CC[C@H](NC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1)C(C)C ZINC000684724590 939872880 /nfs/dbraw/zinc/87/28/80/939872880.db2.gz HFGGAGAEDBFBGU-DLBZAZTESA-N -1 0 328.412 3.699 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)N2CCCCCCCC2)c1F ZINC000321615414 970789311 /nfs/dbraw/zinc/78/93/11/970789311.db2.gz UGIHRUUEDYHRPI-UHFFFAOYSA-N -1 0 326.343 3.851 20 0 EHADRM Cc1cc(NC(=O)c2cc(C3CCCCC3)[nH]n2)ccc1C(=O)[O-] ZINC001600274271 970791471 /nfs/dbraw/zinc/79/14/71/970791471.db2.gz FFZOVGYNKQVSIT-UHFFFAOYSA-N -1 0 327.384 3.716 20 0 EHADRM C[C@H]1c2ccsc2CCN1c1nc(C(F)(F)F)ccc1C(=O)[O-] ZINC000321681488 970796704 /nfs/dbraw/zinc/79/67/04/970796704.db2.gz NERBHAIEVTXDRO-QMMMGPOBSA-N -1 0 342.342 3.984 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC000321705556 970799687 /nfs/dbraw/zinc/79/96/87/970799687.db2.gz OGBSDTPTPVKCQJ-SNVBAGLBSA-N -1 0 342.798 3.834 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)s1 ZINC000321750027 970803380 /nfs/dbraw/zinc/80/33/80/970803380.db2.gz XGLQOOXPWHIILZ-QWHCGFSZSA-N -1 0 338.473 3.650 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CCCC1 ZINC000321760565 970804298 /nfs/dbraw/zinc/80/42/98/970804298.db2.gz ZCUNADCOYSVAHY-UHFFFAOYSA-N -1 0 340.763 3.612 20 0 EHADRM O=C([O-])C1(CNC(=O)c2cc3cc(F)ccc3s2)CCCCC1 ZINC000321782633 970807124 /nfs/dbraw/zinc/80/71/24/970807124.db2.gz RXSAKCVZIQNKCG-UHFFFAOYSA-N -1 0 335.400 3.805 20 0 EHADRM Cc1ccc(OCCNC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c(C)c1 ZINC001600471310 970812734 /nfs/dbraw/zinc/81/27/34/970812734.db2.gz YIPJDILQUQYQDK-UHFFFAOYSA-N -1 0 342.395 3.511 20 0 EHADRM Cc1ccc2c(CNc3cccc(CCC(=O)[O-])c3)cc(=O)oc2c1 ZINC001600492564 970815829 /nfs/dbraw/zinc/81/58/29/970815829.db2.gz VJEJLIYPOOMNBV-UHFFFAOYSA-N -1 0 337.375 3.731 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000321934752 970827040 /nfs/dbraw/zinc/82/70/40/970827040.db2.gz VXRWQRHWAHKOQF-LBPRGKRZSA-N -1 0 329.783 3.867 20 0 EHADRM O=C([O-])c1cccc(F)c1NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000321977979 970832721 /nfs/dbraw/zinc/83/27/21/970832721.db2.gz ZZGCBLNVDCTVIX-BDAKNGLRSA-N -1 0 333.281 3.831 20 0 EHADRM Cc1ccc(CCC(=O)NCC2(C(=O)[O-])CCCCC2)cc1Cl ZINC000322119816 970849844 /nfs/dbraw/zinc/84/98/44/970849844.db2.gz WJDWCENRPQZNOS-UHFFFAOYSA-N -1 0 337.847 3.732 20 0 EHADRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1c(Cl)oc2ccccc21 ZINC001601422062 970989403 /nfs/dbraw/zinc/98/94/03/970989403.db2.gz LRQQAADSMKYPNB-ZDUSSCGKSA-N -1 0 343.766 3.512 20 0 EHADRM COc1cc(NC(=O)c2cc3ccccc3s2)ccc1C(=O)[O-] ZINC000323664197 971027290 /nfs/dbraw/zinc/02/72/90/971027290.db2.gz DCMGMXDMSQAWLI-UHFFFAOYSA-N -1 0 327.361 3.860 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)CCSc2cccc(Cl)c2)C1 ZINC001611401886 971029760 /nfs/dbraw/zinc/02/97/60/971029760.db2.gz SJINKJJWGSFZFT-GFCCVEGCSA-N -1 0 341.860 3.536 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)CCc1nc2ccccc2s1 ZINC000323791437 971038213 /nfs/dbraw/zinc/03/82/13/971038213.db2.gz CTFGUGCVQLKPFT-UHFFFAOYSA-N -1 0 346.433 3.936 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](c2nc(-c3cnc4ccsc4c3)no2)C1 ZINC000323912058 971055996 /nfs/dbraw/zinc/05/59/96/971055996.db2.gz KATZYALZAOYGLT-VHSXEESVSA-N -1 0 329.381 3.705 20 0 EHADRM CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000323946380 971064455 /nfs/dbraw/zinc/06/44/55/971064455.db2.gz BSDYKDLEVZCYPN-MWLCHTKSSA-N -1 0 326.343 3.753 20 0 EHADRM COc1ccc(C(=O)[O-])cc1COc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000324044031 971077708 /nfs/dbraw/zinc/07/77/08/971077708.db2.gz WZSNRKIUMGJRJO-UHFFFAOYSA-N -1 0 337.715 3.534 20 0 EHADRM CCc1ccc(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)s1 ZINC000324221502 971097622 /nfs/dbraw/zinc/09/76/22/971097622.db2.gz FNBMUNSDXUZTOS-UHFFFAOYSA-N -1 0 340.351 3.609 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccccc2SC(F)F)CC[C@H]1C(=O)[O-] ZINC000324267753 971103551 /nfs/dbraw/zinc/10/35/51/971103551.db2.gz KQHOYBLYGKEBNC-VHSXEESVSA-N -1 0 344.383 3.576 20 0 EHADRM CC(C)(C)CC(C)(C)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000324305920 971107003 /nfs/dbraw/zinc/10/70/03/971107003.db2.gz VKJXNRCYAYUNFZ-UHFFFAOYSA-N -1 0 328.359 3.999 20 0 EHADRM Cc1ccc(F)c(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)c1F ZINC000324373613 971113701 /nfs/dbraw/zinc/11/37/01/971113701.db2.gz KCUPECWSVDFFIS-UHFFFAOYSA-N -1 0 327.233 3.502 20 0 EHADRM Cc1cc(Cl)cc(C(=O)N2C[C@@H](C(=O)[O-])Cc3ccccc32)c1 ZINC000324498039 971125843 /nfs/dbraw/zinc/12/58/43/971125843.db2.gz KLCBMCVQBPXNIB-AWEZNQCLSA-N -1 0 329.783 3.552 20 0 EHADRM Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])Cc3ccccc32)cc1Cl ZINC000324501924 971126877 /nfs/dbraw/zinc/12/68/77/971126877.db2.gz LIPUORGBKAOZPA-CQSZACIVSA-N -1 0 329.783 3.552 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)NCCc2ccc(C(=O)[O-])cc2)c(C)s1 ZINC000324509691 971127945 /nfs/dbraw/zinc/12/79/45/971127945.db2.gz MOAKJYSFCGQSKC-GFCCVEGCSA-N -1 0 346.452 3.666 20 0 EHADRM COc1ccc(CN(C)C(=O)Nc2cc(Cl)ccc2C(=O)[O-])cc1 ZINC000324539494 971130507 /nfs/dbraw/zinc/13/05/07/971130507.db2.gz SSJVKJKQYQGQNR-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)c2ccc3ncsc3c2)c1F ZINC000324548978 971131624 /nfs/dbraw/zinc/13/16/24/971131624.db2.gz PKKYKTQZBYIZDK-UHFFFAOYSA-N -1 0 334.303 3.525 20 0 EHADRM COc1ccc(C(=O)[O-])c(OCc2c(F)c(F)c(F)c(F)c2F)c1 ZINC000324671828 971145610 /nfs/dbraw/zinc/14/56/10/971145610.db2.gz HCUWIOCRLYFRMA-UHFFFAOYSA-N -1 0 348.223 3.668 20 0 EHADRM Cc1cc(COc2ccc([N+](=O)[O-])c3ccccc23)oc1C(=O)[O-] ZINC000324790541 971157152 /nfs/dbraw/zinc/15/71/52/971157152.db2.gz JTBADSLCPLIEHC-UHFFFAOYSA-N -1 0 327.292 3.927 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000324836000 971161995 /nfs/dbraw/zinc/16/19/95/971161995.db2.gz DCYGPSHGLDPAMJ-UHFFFAOYSA-N -1 0 346.408 3.584 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCSc3ccc(Cl)cc32)C1 ZINC001602176725 971164642 /nfs/dbraw/zinc/16/46/42/971164642.db2.gz VFBOYLVEGMEMLS-WDEREUQCSA-N -1 0 339.844 3.670 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)c2cc3c(cccc3F)s2)c1 ZINC000325032961 971177841 /nfs/dbraw/zinc/17/78/41/971177841.db2.gz JSDHLAZIVAKWJY-UHFFFAOYSA-N -1 0 343.379 3.711 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cnc(Cl)c(C(F)(F)F)c2)cc1 ZINC001602325711 971181640 /nfs/dbraw/zinc/18/16/40/971181640.db2.gz NYWLVXSNCDFCER-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM CCC1CCC(CNC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)CC1 ZINC000325282520 971200779 /nfs/dbraw/zinc/20/07/79/971200779.db2.gz PBXXDVPLEJRHHZ-GPANFISMSA-N -1 0 338.492 3.735 20 0 EHADRM Cc1ccc2oc(C(=O)N3CCC[C@@H](C(C)(C)C(=O)[O-])C3)cc2c1 ZINC000325445876 971216817 /nfs/dbraw/zinc/21/68/17/971216817.db2.gz MXSLBUXCGIOSBL-CQSZACIVSA-N -1 0 329.396 3.704 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)N2CCC[C@H]2C2CCCC2)cc1F ZINC000325624931 971231878 /nfs/dbraw/zinc/23/18/78/971231878.db2.gz SIEKRFGHELFHBO-AWEZNQCLSA-N -1 0 338.354 3.850 20 0 EHADRM Cc1ccc2cccc(NC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)c2n1 ZINC000325735083 971239132 /nfs/dbraw/zinc/23/91/32/971239132.db2.gz BGWFOVWYNPDGRB-AWEZNQCLSA-N -1 0 329.400 3.554 20 0 EHADRM CCCCCC[C@H](C)NC(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000325799837 971243747 /nfs/dbraw/zinc/24/37/47/971243747.db2.gz NXKHRXCPWUDGHI-AWEZNQCLSA-N -1 0 332.444 3.811 20 0 EHADRM CSc1ccc(C)c(C(=O)N2CCc3c(cccc3C(=O)[O-])C2)c1 ZINC000325856900 971249446 /nfs/dbraw/zinc/24/94/46/971249446.db2.gz ZXZMKCGKIWJYNU-UHFFFAOYSA-N -1 0 341.432 3.614 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCc2nc3ccccc3s2)cc1F ZINC000325863895 971249772 /nfs/dbraw/zinc/24/97/72/971249772.db2.gz GGQRFWDPJSMCNO-UHFFFAOYSA-N -1 0 344.367 3.705 20 0 EHADRM Cc1cc(Oc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000326639160 971311543 /nfs/dbraw/zinc/31/15/43/971311543.db2.gz VQVIORDGRXPNSM-CLTKARDFSA-N -1 0 344.279 3.702 20 0 EHADRM CCOc1ccc(C(=O)Nc2ccc(C)cc2C(=O)[O-])cc1OCC ZINC000326742697 971323637 /nfs/dbraw/zinc/32/36/37/971323637.db2.gz JTPLOHNFZSPKSS-UHFFFAOYSA-N -1 0 343.379 3.743 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc(-c3ccccc3)no2)c(F)cc1F ZINC000326833897 971333517 /nfs/dbraw/zinc/33/35/17/971333517.db2.gz JJUVJZFLVLWZLE-UHFFFAOYSA-N -1 0 344.273 3.570 20 0 EHADRM CC(C)c1ccc(NC(=O)CN(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000326869888 971338075 /nfs/dbraw/zinc/33/80/75/971338075.db2.gz YOQMOXVCSLHMSJ-UHFFFAOYSA-N -1 0 340.423 3.579 20 0 EHADRM CC(C)(C)C(C)(C)CNC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000327032518 971358987 /nfs/dbraw/zinc/35/89/87/971358987.db2.gz VFPFYTYRTOHUIS-UHFFFAOYSA-N -1 0 332.444 3.525 20 0 EHADRM Cc1ccc(OCCCC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000326993781 971354420 /nfs/dbraw/zinc/35/44/20/971354420.db2.gz UWEPKWJEWSOESN-MRXNPFEDSA-N -1 0 347.455 3.503 20 0 EHADRM COc1cc(NC(=O)N[C@H](C)c2ccc(C)cc2)ccc1C(=O)[O-] ZINC000327018521 971356405 /nfs/dbraw/zinc/35/64/05/971356405.db2.gz ZWYDGFGEAFHPTE-GFCCVEGCSA-N -1 0 328.368 3.585 20 0 EHADRM CCCc1cc(C(=O)N2C[C@@H](C(=O)[O-])Cc3ccccc32)sc1C ZINC000327084638 971364549 /nfs/dbraw/zinc/36/45/49/971364549.db2.gz HSHNOGLVWGOWHK-HNNXBMFYSA-N -1 0 343.448 3.913 20 0 EHADRM CC(C)c1ccc(OCC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000327091716 971365236 /nfs/dbraw/zinc/36/52/36/971365236.db2.gz ISLGPNZZRQCKQH-UHFFFAOYSA-N -1 0 349.333 3.804 20 0 EHADRM CC(C)C[C@@H](CNC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000327089759 971365468 /nfs/dbraw/zinc/36/54/68/971365468.db2.gz AQTSJLJKXFMGHC-INIZCTEOSA-N -1 0 341.407 3.956 20 0 EHADRM COc1cc(NC(=O)C(C2CCC2)C2CCC2)c(C(=O)[O-])cc1OC ZINC000327815255 971426484 /nfs/dbraw/zinc/42/64/84/971426484.db2.gz JCVZPACTAGWWMH-UHFFFAOYSA-N -1 0 347.411 3.557 20 0 EHADRM CCCc1ccccc1NC(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000328035652 971442611 /nfs/dbraw/zinc/44/26/11/971442611.db2.gz DLZFKWVLHRWXFB-UHFFFAOYSA-N -1 0 338.407 3.928 20 0 EHADRM CC(=O)c1c(C)cc(NC(=O)NCc2ccccc2C(=O)[O-])cc1C ZINC001602771687 971500870 /nfs/dbraw/zinc/50/08/70/971500870.db2.gz MWDDPFKWXCXGFI-UHFFFAOYSA-N -1 0 340.379 3.526 20 0 EHADRM Cn1c(SCc2ccc(C(=O)[O-])cc2)nnc1-c1ccccc1F ZINC000013354811 948779521 /nfs/dbraw/zinc/77/95/21/948779521.db2.gz OPJWQSZPIMPAHK-UHFFFAOYSA-N -1 0 343.383 3.612 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)NCC1(C(=O)[O-])CCC1 ZINC001589561106 948810063 /nfs/dbraw/zinc/81/00/63/948810063.db2.gz HGCHCVJWQVHVLR-KRWDZBQOSA-N -1 0 346.471 3.603 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)CCCSc1ccc(Cl)cc1 ZINC000037993943 948849166 /nfs/dbraw/zinc/84/91/66/948849166.db2.gz WHIWSCBVRCABIZ-UHFFFAOYSA-N -1 0 329.849 3.534 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)s1 ZINC000050921934 948921987 /nfs/dbraw/zinc/92/19/87/948921987.db2.gz SIKZMDQGRIWNLD-IOCXFXADSA-N -1 0 327.833 3.661 20 0 EHADRM CCCC[C@H](NC(=O)CCCOc1cccc2ccccc21)C(=O)[O-] ZINC000347260083 971522072 /nfs/dbraw/zinc/52/20/72/971522072.db2.gz KWBZSPSGRDELBJ-KRWDZBQOSA-N -1 0 343.423 3.758 20 0 EHADRM CC[C@@H](OC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)C(=O)[O-] ZINC001589581015 949017396 /nfs/dbraw/zinc/01/73/96/949017396.db2.gz ZHFYDAZRGFKTQK-GSVOUGTGSA-N -1 0 346.981 3.715 20 0 EHADRM C[C@@H](NC(=O)c1cccc(C(=O)[O-])n1)c1cc(Cl)ccc1Cl ZINC000362497304 971535283 /nfs/dbraw/zinc/53/52/83/971535283.db2.gz IPHJDGCVLBQSMF-MRVPVSSYSA-N -1 0 339.178 3.578 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC ZINC001589587317 949064884 /nfs/dbraw/zinc/06/48/84/949064884.db2.gz QTCKPKKBEBVLKT-LXZKKBNFSA-N -1 0 335.444 3.583 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc3ccccc3cc2OC)C1 ZINC001589604573 949227629 /nfs/dbraw/zinc/22/76/29/949227629.db2.gz WJSZLNFDAQSMJR-HXUWFJFHSA-N -1 0 341.407 3.565 20 0 EHADRM CCC1CCC(CNC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)CC1 ZINC001589618576 949382606 /nfs/dbraw/zinc/38/26/06/949382606.db2.gz UGUGOGDJHHPKHQ-PMTKGXAQSA-N -1 0 346.471 3.545 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CC[C@@H]2c2ccc(F)cc2)c(F)c1 ZINC001595235173 949384924 /nfs/dbraw/zinc/38/49/24/949384924.db2.gz IJFCCNHEJAIUDG-OAHLLOKOSA-N -1 0 332.306 3.642 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@]2(c3ccccc3)C[C@H](F)C2)c(F)c1 ZINC001595235363 949388524 /nfs/dbraw/zinc/38/85/24/949388524.db2.gz NWRRSWHMASJBTL-KTXOBNNYSA-N -1 0 331.318 3.532 20 0 EHADRM CC[C@@H]1CCCc2sc(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])nc21 ZINC001589622331 949429559 /nfs/dbraw/zinc/42/95/59/949429559.db2.gz BDAMMFDSZHFOOH-MNOVXSKESA-N -1 0 339.461 3.594 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)c1cc(-c2ccccc2)on1 ZINC001595238587 949431662 /nfs/dbraw/zinc/43/16/62/949431662.db2.gz WTFVRMDYJXPHBN-UHFFFAOYSA-N -1 0 348.358 3.633 20 0 EHADRM CC[C@@H]1CN(C(=O)NC[C@H](C(=O)[O-])C(C)C)CC[C@H]1c1ccccc1 ZINC001589624377 949456536 /nfs/dbraw/zinc/45/65/36/949456536.db2.gz HJOKXMYDNMYPNS-NXHRZFHOSA-N -1 0 346.471 3.569 20 0 EHADRM CC[C@H](CC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccc(OC)cc1 ZINC000192844745 949510004 /nfs/dbraw/zinc/51/00/04/949510004.db2.gz NCAYTGLEHVJAHW-OAHLLOKOSA-N -1 0 341.407 3.594 20 0 EHADRM C[C@](CNC(=O)Cc1ccc2ccccc2c1)(C(=O)[O-])c1ccccc1 ZINC000193086762 949519000 /nfs/dbraw/zinc/51/90/00/949519000.db2.gz SVKHHSDVJOHVAM-JOCHJYFZSA-N -1 0 347.414 3.541 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N2CCC(OC3CCCCC3)CC2)c1 ZINC001595249386 949541063 /nfs/dbraw/zinc/54/10/63/949541063.db2.gz DVWXFJNKRDDGGR-UHFFFAOYSA-N -1 0 346.427 3.730 20 0 EHADRM CCC[C@@](C)(NC(=O)Nc1cccnc1C(=O)[O-])c1ccccc1 ZINC001589633633 949578167 /nfs/dbraw/zinc/57/81/67/949578167.db2.gz HGRPXTHQOQCQOF-GOSISDBHSA-N -1 0 327.384 3.617 20 0 EHADRM CCCCC[C@](C)(CC)C(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001589642372 949706396 /nfs/dbraw/zinc/70/63/96/949706396.db2.gz QMGZREOLOQAUTE-DJMKXRNQSA-N -1 0 339.476 3.512 20 0 EHADRM CCCCCCOc1ccc(CC(=O)N2CCC[C@@]2(C)C(=O)[O-])cc1 ZINC001589645587 949726918 /nfs/dbraw/zinc/72/69/18/949726918.db2.gz IJYPTGITDFMMIO-FQEVSTJZSA-N -1 0 347.455 3.654 20 0 EHADRM CCCCCc1ccc(NC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)cc1 ZINC001589646828 949743084 /nfs/dbraw/zinc/74/30/84/949743084.db2.gz SKKUVLAPJASQIP-WBVHZDCISA-N -1 0 333.428 3.628 20 0 EHADRM Cc1cc(Br)cc(NC(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000232048143 949762731 /nfs/dbraw/zinc/76/27/31/949762731.db2.gz BNZYYQQQYGKJHY-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM O=C([O-])c1cncc(NC(=O)N2CC3(CC=CC3)[C@H]2c2ccccc2)c1 ZINC001595270958 949825513 /nfs/dbraw/zinc/82/55/13/949825513.db2.gz KMHZTFJZNRFGGK-QGZVFWFLSA-N -1 0 349.390 3.705 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)N1CCC[C@H](C2CCCCC2)C1 ZINC001595273036 949858714 /nfs/dbraw/zinc/85/87/14/949858714.db2.gz GBOMPQZVILNHAF-AWEZNQCLSA-N -1 0 331.416 3.604 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1cc(C(C)C)nc2ccccc21)C(=O)[O-] ZINC000236585536 949923925 /nfs/dbraw/zinc/92/39/25/949923925.db2.gz RERQYCHXVCCMJZ-QGZVFWFLSA-N -1 0 328.412 3.587 20 0 EHADRM Cc1cc2occ(CC(=O)N(C)C[C@H](C)C(=O)[O-])c2cc1C(C)C ZINC000236622439 949928942 /nfs/dbraw/zinc/92/89/42/949928942.db2.gz SUIDLWVSLAGIFZ-ZDUSSCGKSA-N -1 0 331.412 3.586 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000236800280 949936531 /nfs/dbraw/zinc/93/65/31/949936531.db2.gz CWAVBZWDRDHCSR-AWEZNQCLSA-N -1 0 341.407 3.592 20 0 EHADRM C[C@@H]1CCc2c(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)csc2C1 ZINC000237436156 949962523 /nfs/dbraw/zinc/96/25/23/949962523.db2.gz SUPFUGOGGOMKCC-CHWSQXEVSA-N -1 0 335.469 3.590 20 0 EHADRM CCCOc1ccc(NC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)cc1C ZINC001589681312 950050201 /nfs/dbraw/zinc/05/02/01/950050201.db2.gz KAKBWCCHACTSMJ-UONOGXRCSA-N -1 0 334.416 3.501 20 0 EHADRM CCC(CC)(Cc1nc2ccccc2s1)C(=O)NCCCC(=O)[O-] ZINC000262736649 950159823 /nfs/dbraw/zinc/15/98/23/950159823.db2.gz GCYDAIWYTZCCLE-UHFFFAOYSA-N -1 0 348.468 3.626 20 0 EHADRM CCN(C(=O)[C@H](C(=O)[O-])C1CCCC1)c1nc2ccccc2s1 ZINC001589697771 950190298 /nfs/dbraw/zinc/19/02/98/950190298.db2.gz CKBJHSZIODEEQU-CQSZACIVSA-N -1 0 332.425 3.540 20 0 EHADRM C[C@H](C(=O)[O-])c1noc(-c2csc(-c3cccc(Cl)c3)n2)n1 ZINC001602825387 971642650 /nfs/dbraw/zinc/64/26/50/971642650.db2.gz UOXMKMBRGWQVDU-ZETCQYMHSA-N -1 0 335.772 3.702 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)s2)CC[C@@H]1C(=O)[O-] ZINC000262943298 950196400 /nfs/dbraw/zinc/19/64/00/950196400.db2.gz KVXZJYODLITBJP-RISCZKNCSA-N -1 0 347.411 3.737 20 0 EHADRM CCN(C(=O)Cc1coc2cc(C)c(C(C)C)cc12)[C@H](C)C(=O)[O-] ZINC001589703680 950254906 /nfs/dbraw/zinc/25/49/06/950254906.db2.gz LRFUHHNQHGYSKC-CYBMUJFWSA-N -1 0 331.412 3.729 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)C(F)(F)c2cccc(Cl)c2)C1 ZINC000263121988 950276497 /nfs/dbraw/zinc/27/64/97/950276497.db2.gz KPWLWNMOXTWMAM-LLVKDONJSA-N -1 0 345.773 3.535 20 0 EHADRM Cc1c(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cnn1C1CCCCC1 ZINC000263476076 950483846 /nfs/dbraw/zinc/48/38/46/950483846.db2.gz ZEWHTQCXTJAMGZ-OAHLLOKOSA-N -1 0 347.459 3.556 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)NC(C)(C)CCC(=O)[O-])c2)oc1C ZINC000263497393 950493841 /nfs/dbraw/zinc/49/38/41/950493841.db2.gz RMHDOIYZNRMXBW-UHFFFAOYSA-N -1 0 345.399 3.723 20 0 EHADRM CCOCCOCc1cccc(NCc2cccc(C(=O)[O-])c2)c1 ZINC000263512888 950499042 /nfs/dbraw/zinc/49/90/42/950499042.db2.gz ZKKMJHPCUVFUMP-UHFFFAOYSA-N -1 0 329.396 3.550 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)/C=C/c2cc(Cl)cc(Cl)c2)C1 ZINC000315669674 950851240 /nfs/dbraw/zinc/85/12/40/950851240.db2.gz WDWPYBWVWQTFHH-PCAWENJQSA-N -1 0 342.222 3.720 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccc(Cl)cc1F)CC(=O)[O-] ZINC000315967898 950861875 /nfs/dbraw/zinc/86/18/75/950861875.db2.gz LKAQYRPIFPAPNZ-JTQLQIEISA-N -1 0 330.787 3.738 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccccc1C(F)(F)F ZINC000320246335 950980054 /nfs/dbraw/zinc/98/00/54/950980054.db2.gz BQJOAKRHTUPYMU-LLVKDONJSA-N -1 0 329.318 3.565 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000320554742 950992370 /nfs/dbraw/zinc/99/23/70/950992370.db2.gz QSSYHNOWJSTCNL-OLZOCXBDSA-N -1 0 338.835 3.687 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)Nc2ccc(Cl)cc2)Cc2ccccc21 ZINC000320745162 951000190 /nfs/dbraw/zinc/00/01/90/951000190.db2.gz NZPJKVHVXUHHLI-HNNXBMFYSA-N -1 0 330.771 3.556 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)c1ccccc1CCC(F)(F)F ZINC001594984576 951011274 /nfs/dbraw/zinc/01/12/74/951011274.db2.gz LSNCAEHCEFENAP-ZDUSSCGKSA-N -1 0 343.345 3.651 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)C1CCC(C(F)(F)F)CC1 ZINC000322164442 951025319 /nfs/dbraw/zinc/02/53/19/951025319.db2.gz WDYIHZPTKFITIY-WXRRBKDZSA-N -1 0 335.366 3.601 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)c2)cs1 ZINC000323855040 951053725 /nfs/dbraw/zinc/05/37/25/951053725.db2.gz PJDXMJDANURVCF-QWHCGFSZSA-N -1 0 330.409 3.558 20 0 EHADRM C[C@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000324152488 951063041 /nfs/dbraw/zinc/06/30/41/951063041.db2.gz YOAINZGENPZYKB-NSHDSACASA-N -1 0 345.420 3.731 20 0 EHADRM CCCOc1ccc(NC(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000324407512 951067687 /nfs/dbraw/zinc/06/76/87/951067687.db2.gz JGSGBQKEXHYVGU-UHFFFAOYSA-N -1 0 334.416 3.584 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1C(F)(F)F ZINC000324981734 951077645 /nfs/dbraw/zinc/07/76/45/951077645.db2.gz RLQURHNHBVPJQV-NSHDSACASA-N -1 0 344.333 3.732 20 0 EHADRM O=C([O-])CC1(NC(=O)CSc2ccc3c(c2)CCC3)CCCCC1 ZINC000325452094 951084722 /nfs/dbraw/zinc/08/47/22/951084722.db2.gz HJNVTSFYBISSHI-UHFFFAOYSA-N -1 0 347.480 3.561 20 0 EHADRM CC[C@@H](CNC(=O)Nc1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC000325709588 951090576 /nfs/dbraw/zinc/09/05/76/951090576.db2.gz RUOYEPKGBLBHKE-ZDUSSCGKSA-N -1 0 328.368 3.711 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)Cc2ccccc21 ZINC000327024053 951107463 /nfs/dbraw/zinc/10/74/63/951107463.db2.gz DYYCEQZYKIWACX-OAHLLOKOSA-N -1 0 349.308 3.530 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)CC1 ZINC000364194864 951137469 /nfs/dbraw/zinc/13/74/69/951137469.db2.gz JZMNVHQUQANXCA-QZTJIDSGSA-N -1 0 337.419 3.657 20 0 EHADRM CC(C)C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CC2CCC1CC2)CC(=O)[O-] ZINC000381487375 951210158 /nfs/dbraw/zinc/21/01/58/951210158.db2.gz GPPMTGISRYKGNA-OQBQERNKSA-N -1 0 338.492 3.637 20 0 EHADRM CCOc1cc(Cl)ccc1NC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC001592184430 951307671 /nfs/dbraw/zinc/30/76/71/951307671.db2.gz LWKXBEXHHOUIRO-HNNXBMFYSA-N -1 0 348.786 3.686 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2cnc(Cl)c(Cl)c2)c1 ZINC000388846284 951340627 /nfs/dbraw/zinc/34/06/27/951340627.db2.gz NVGWSUFEHRALJR-UHFFFAOYSA-N -1 0 339.178 3.658 20 0 EHADRM CCOc1ccc2nc(NC(=O)[C@@H](C(=O)[O-])C3CCCC3)sc2c1 ZINC001592815655 951366421 /nfs/dbraw/zinc/36/64/21/951366421.db2.gz HZXKOPKOBKUVTE-AWEZNQCLSA-N -1 0 348.424 3.525 20 0 EHADRM O=C([O-])CCCCC(=O)O[C@H]1CCc2c1cccc2OCC1CC1 ZINC001595034521 951389184 /nfs/dbraw/zinc/38/91/84/951389184.db2.gz AEKTUJQYTQXCRK-KRWDZBQOSA-N -1 0 332.396 3.651 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1nc(-c2cc(F)ccc2F)cs1 ZINC001595035138 951398632 /nfs/dbraw/zinc/39/86/32/951398632.db2.gz XNSGNYTYCNJMCD-UHFFFAOYSA-N -1 0 340.351 3.672 20 0 EHADRM CCCOc1ccc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000392104734 951411873 /nfs/dbraw/zinc/41/18/73/951411873.db2.gz CLRQWKRGNVJQEU-OAHLLOKOSA-N -1 0 334.416 3.727 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)C1CCC(C(F)(F)F)CC1 ZINC000392081159 951411885 /nfs/dbraw/zinc/41/18/85/951411885.db2.gz ZNIXENSBCUEZJY-UTAXJDLNSA-N -1 0 347.377 3.599 20 0 EHADRM O=C([O-])COc1ccc(C(=O)O[C@@H]2CCc3c2cccc3Cl)cc1 ZINC001595120174 951969897 /nfs/dbraw/zinc/96/98/97/951969897.db2.gz PAYXKDIOBLAGNQ-MRXNPFEDSA-N -1 0 346.766 3.648 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)NC1(c2ccccc2F)CCC1 ZINC001595136661 952058688 /nfs/dbraw/zinc/05/86/88/952058688.db2.gz WHZZSEKBMDQJEY-UHFFFAOYSA-N -1 0 342.370 3.654 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)[C@@H]1CCC=CCCC1)CCOC2 ZINC001595207272 952337588 /nfs/dbraw/zinc/33/75/88/952337588.db2.gz UZZJVOMENCUESB-LLVKDONJSA-N -1 0 335.425 3.594 20 0 EHADRM O=C([O-])c1ccc(Br)c(NC(=O)[C@H]2CCC[C@@H](F)C2)c1 ZINC001595214174 952364540 /nfs/dbraw/zinc/36/45/40/952364540.db2.gz BLGVXLJFWTXSOU-WCBMZHEXSA-N -1 0 344.180 3.614 20 0 EHADRM C[C@H]1CCC[C@@H](C(=O)Nc2cc(Br)ccc2C(=O)[O-])C1 ZINC000383106063 971848363 /nfs/dbraw/zinc/84/83/63/971848363.db2.gz GRPSPAPPTGCDDF-VHSXEESVSA-N -1 0 340.217 3.912 20 0 EHADRM CC(C)(C)c1ccc(CCNC(=O)c2coc(/C=C/C(=O)[O-])c2)cc1 ZINC001602923186 971885108 /nfs/dbraw/zinc/88/51/08/971885108.db2.gz UGAWCCAPMQERQY-CMDGGOBGSA-N -1 0 341.407 3.647 20 0 EHADRM CC(C)(C)[C@H](NC(=O)NCCC(C)(C)C(=O)[O-])c1cccc(F)c1 ZINC001602940556 971907863 /nfs/dbraw/zinc/90/78/63/971907863.db2.gz CDISWBAEIJNZFK-CQSZACIVSA-N -1 0 338.423 3.713 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)c1 ZINC000414456647 953394698 /nfs/dbraw/zinc/39/46/98/953394698.db2.gz UKEZDXFGCKBACO-GOSISDBHSA-N -1 0 341.382 3.680 20 0 EHADRM C[C@@H]1C[C@@H]1[C@@H](NC(=O)N(C)CCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000414635211 953405952 /nfs/dbraw/zinc/40/59/52/953405952.db2.gz ZUBKGYRVXISERI-WPGHFRTFSA-N -1 0 338.835 3.543 20 0 EHADRM C[C@H](NC(=O)N(C)CCC(=O)[O-])c1ccc(-c2ccc(F)cc2)cc1 ZINC000414635671 953405962 /nfs/dbraw/zinc/40/59/62/953405962.db2.gz BZAJWQDCGOBKDZ-ZDUSSCGKSA-N -1 0 344.386 3.670 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccccc2COC(C)(C)C)C1 ZINC001589272079 953418582 /nfs/dbraw/zinc/41/85/82/953418582.db2.gz KBRAJHKEOJZQGK-UKRRQHHQSA-N -1 0 348.443 3.576 20 0 EHADRM CCc1oc2ccccc2c1CN(C)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424397568 953461915 /nfs/dbraw/zinc/46/19/15/953461915.db2.gz KUTOQDMERKWFSD-UHFFFAOYSA-N -1 0 346.427 3.638 20 0 EHADRM CC(C)(CCNC(=O)NC1CCC(c2ccccc2)CC1)C(=O)[O-] ZINC000424400523 953465016 /nfs/dbraw/zinc/46/50/16/953465016.db2.gz ZNJFBCUXUVKZDU-UHFFFAOYSA-N -1 0 332.444 3.513 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[C@H](C)Oc1cc(C(C)C)ccc1C)C(=O)[O-] ZINC001593610241 953466956 /nfs/dbraw/zinc/46/69/56/953466956.db2.gz GJZAUDFFXKYSDD-JDFRZJQESA-N -1 0 335.444 3.501 20 0 EHADRM Cc1cccc(-c2cncc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])c2)c1 ZINC000431533688 953501019 /nfs/dbraw/zinc/50/10/19/953501019.db2.gz UHVQCOQDRSOISC-GOSISDBHSA-N -1 0 340.423 3.534 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)C(F)(F)F ZINC001593619552 953522866 /nfs/dbraw/zinc/52/28/66/953522866.db2.gz WBLIAWMBNICXKJ-ZETCQYMHSA-N -1 0 342.676 3.640 20 0 EHADRM O=C([O-])[C@@H]1CCN1C(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000384610803 971939887 /nfs/dbraw/zinc/93/98/87/971939887.db2.gz BTYSNHMUGBNLGJ-QMMMGPOBSA-N -1 0 330.192 3.507 20 0 EHADRM CCc1c(NC(=O)c2cccc(C(=O)[O-])c2)cnn1-c1cccc(C)c1 ZINC001593627646 953566014 /nfs/dbraw/zinc/56/60/14/953566014.db2.gz QYDDETPAHRBDFA-UHFFFAOYSA-N -1 0 349.390 3.694 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)c3ccc(C(=O)[O-])cn3)ccc21 ZINC000562393710 953589359 /nfs/dbraw/zinc/58/93/59/953589359.db2.gz DRVIXZBPDOZXOC-UHFFFAOYSA-N -1 0 337.379 3.643 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)C[C@H]1C(=O)[O-] ZINC000563144737 953596027 /nfs/dbraw/zinc/59/60/27/953596027.db2.gz YKOUVBBGCTVZHZ-RHSMWYFYSA-N -1 0 339.391 3.662 20 0 EHADRM CC[C@H](Nc1ccccc1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000564969225 953606994 /nfs/dbraw/zinc/60/69/94/953606994.db2.gz VHXCGJOFFXJAAK-KRWDZBQOSA-N -1 0 326.396 3.533 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC001589294170 953628142 /nfs/dbraw/zinc/62/81/42/953628142.db2.gz FULRZVFATMIKNF-ABAIWWIYSA-N -1 0 343.358 3.534 20 0 EHADRM CCc1ccc2ccccc2c1CNC(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC001593640033 953635681 /nfs/dbraw/zinc/63/56/81/953635681.db2.gz IENFURQJPVKOES-FQEVSTJZSA-N -1 0 325.408 3.519 20 0 EHADRM CCc1ccc2c(c1)[C@H](OC(=O)c1coc(/C=C\C(=O)[O-])c1)CCO2 ZINC001593640183 953638969 /nfs/dbraw/zinc/63/89/69/953638969.db2.gz RRHQBWCWSAAAQG-XQDHMALISA-N -1 0 342.347 3.620 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)/C=C\c1ccc(C(C)(C)C)cc1 ZINC001589298021 953662109 /nfs/dbraw/zinc/66/21/09/953662109.db2.gz DFEPXEYKMGDJDF-QLLDGSJBSA-N -1 0 329.440 3.709 20 0 EHADRM CCc1nc([C@@H](C)NC(=O)Nc2cccc(CCC(=O)[O-])c2)cs1 ZINC001593649145 953698786 /nfs/dbraw/zinc/69/87/86/953698786.db2.gz VEAMINDTXQHLKM-LLVKDONJSA-N -1 0 347.440 3.605 20 0 EHADRM C[C@H]1CCN(C(=O)CSc2ccc3ccccc3c2)C[C@H]1C(=O)[O-] ZINC000581548691 953720197 /nfs/dbraw/zinc/72/01/97/953720197.db2.gz ROODTEDCGRMGJH-SUMWQHHRSA-N -1 0 343.448 3.501 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1ccc(Cl)c2ncccc12 ZINC001589306953 953754586 /nfs/dbraw/zinc/75/45/86/953754586.db2.gz ZLGMTBQIMIKURI-MNOVXSKESA-N -1 0 347.802 3.605 20 0 EHADRM C[C@H](CNC(=O)C1(c2ccc(Cl)cc2Cl)CCCC1)C(=O)[O-] ZINC000630136339 953840022 /nfs/dbraw/zinc/84/00/22/953840022.db2.gz AOTQXURQDVDARP-SNVBAGLBSA-N -1 0 344.238 3.642 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])nc1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000630293832 953850586 /nfs/dbraw/zinc/85/05/86/953850586.db2.gz BJBSZJYCMXTSAY-WMZOPIPTSA-N -1 0 338.407 3.578 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000630562033 953861612 /nfs/dbraw/zinc/86/16/12/953861612.db2.gz MCMUNBZMTYHPDP-KOLCDFICSA-N -1 0 342.848 3.636 20 0 EHADRM CCn1nccc1C(=O)Nc1scc(-c2ccsc2)c1C(=O)[O-] ZINC001593671596 953892192 /nfs/dbraw/zinc/89/21/92/953892192.db2.gz NWFIBDRHOZSWKX-UHFFFAOYSA-N -1 0 347.421 3.644 20 0 EHADRM C[C@@H]1CCCN(C(=O)CCCCCc2ccc(F)cc2)[C@@H]1C(=O)[O-] ZINC001589325232 953897966 /nfs/dbraw/zinc/89/79/66/953897966.db2.gz BHHOHCCEKXCKRE-KDOFPFPSSA-N -1 0 335.419 3.640 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000646145318 953926502 /nfs/dbraw/zinc/92/65/02/953926502.db2.gz GNDMJNHDNDUSIN-OAHLLOKOSA-N -1 0 346.471 3.639 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN1C(=O)Cc1coc2ccc3ccccc3c12 ZINC000648337304 953984765 /nfs/dbraw/zinc/98/47/65/953984765.db2.gz YXWGQNPAVQHCOK-HXUWFJFHSA-N -1 0 337.375 3.594 20 0 EHADRM O=C([O-])[C@@H](C(=O)NCc1ccccc1Sc1ccccc1)C1CC1 ZINC001594833706 954007941 /nfs/dbraw/zinc/00/79/41/954007941.db2.gz DIBQLGDABUESRT-QGZVFWFLSA-N -1 0 341.432 3.565 20 0 EHADRM C[C@@H]1CCN(C(=O)NCc2cccc(C(=O)[O-])c2)[C@H]1c1ccccc1 ZINC001589343891 954035313 /nfs/dbraw/zinc/03/53/13/954035313.db2.gz JTRDOWFEFMWBSR-RDTXWAMCSA-N -1 0 338.407 3.678 20 0 EHADRM C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@@H](C(C)(C)C)CC2)C[C@@H]1C(=O)[O-] ZINC001589345199 954052648 /nfs/dbraw/zinc/05/26/48/954052648.db2.gz PMQJHCNIDUATBS-FPCVCCKLSA-N -1 0 338.492 3.734 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC000653289201 954098721 /nfs/dbraw/zinc/09/87/21/954098721.db2.gz LUNWKKBDFKSWML-DJJJIMSYSA-N -1 0 327.380 3.730 20 0 EHADRM C[C@@H](NC(=O)[C@]1(C(=O)[O-])CC=CCC1)c1cccc(C(F)(F)F)c1 ZINC000653296972 954106440 /nfs/dbraw/zinc/10/64/40/954106440.db2.gz FTUDEJFINIHEBZ-BZNIZROVSA-N -1 0 341.329 3.694 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(Oc2ccccn2)cc1 ZINC000653303554 954113849 /nfs/dbraw/zinc/11/38/49/954113849.db2.gz RVVFXNCRVQNLTD-UHFFFAOYSA-N -1 0 328.368 3.703 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)CCc2ccc(Cl)cc2)c2ccccc21 ZINC000653332580 954162865 /nfs/dbraw/zinc/16/28/65/954162865.db2.gz FOWDBLHKPIMFDL-IAGOWNOFSA-N -1 0 343.810 3.702 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)CCc2cccc(Cl)c2)c2ccccc21 ZINC000653333294 954163991 /nfs/dbraw/zinc/16/39/91/954163991.db2.gz NNKZEUBRWMJJQY-DLBZAZTESA-N -1 0 343.810 3.702 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000653340729 954174000 /nfs/dbraw/zinc/17/40/00/954174000.db2.gz PIZYGURTXKWBBD-GXFFZTMASA-N -1 0 331.334 3.521 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)NCCCCC(=O)[O-])c(F)c1 ZINC000653547463 954193830 /nfs/dbraw/zinc/19/38/30/954193830.db2.gz MJYLOSAKZAWURV-UHFFFAOYSA-N -1 0 340.395 3.627 20 0 EHADRM C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655585153 954227253 /nfs/dbraw/zinc/22/72/53/954227253.db2.gz SUPMXBDNMHTWAZ-TVYUQYBPSA-N -1 0 343.345 3.571 20 0 EHADRM Cc1cc(C)c(CNC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c(C)c1 ZINC000655865153 954249570 /nfs/dbraw/zinc/24/95/70/954249570.db2.gz KUXLRLKEAFFPCE-HYVNUMGLSA-N -1 0 346.471 3.546 20 0 EHADRM CC(C)[C@H]1CCCN(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1 ZINC000655905311 954287397 /nfs/dbraw/zinc/28/73/97/954287397.db2.gz TVWDBAKDVVJSAX-FXUDXRNXSA-N -1 0 338.492 3.590 20 0 EHADRM C[C@@](CNC(=O)C1CC2(C1)CCCCC2)(C(=O)[O-])c1ccccc1 ZINC000659147871 954311919 /nfs/dbraw/zinc/31/19/19/954311919.db2.gz DXQPHSZCUOKSKJ-IBGZPJMESA-N -1 0 329.440 3.506 20 0 EHADRM C[C@H]1N(C(=O)NC2CCC(C(=O)[O-])CC2)c2ccccc2C1(C)C ZINC000659407025 954331007 /nfs/dbraw/zinc/33/10/07/954331007.db2.gz WLRRWPPMFJZVPQ-IYXRBSQSSA-N -1 0 330.428 3.526 20 0 EHADRM CC(C)[C@H](CNC(=O)c1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1 ZINC001602984141 972008785 /nfs/dbraw/zinc/00/87/85/972008785.db2.gz SFIZQMHSUVMOFK-HNNXBMFYSA-N -1 0 346.814 3.603 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000663029428 954402325 /nfs/dbraw/zinc/40/23/25/954402325.db2.gz MINTUCMTBHSTIE-JTQLQIEISA-N -1 0 335.734 3.627 20 0 EHADRM Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC000663054376 954425375 /nfs/dbraw/zinc/42/53/75/954425375.db2.gz MONIHESGFXWKSV-ZDUSSCGKSA-N -1 0 349.818 3.520 20 0 EHADRM O=C([O-])C1(c2noc([C@@H](OC3CCCC3)c3ccccc3)n2)CCC1 ZINC001594887110 954474523 /nfs/dbraw/zinc/47/45/23/954474523.db2.gz KXZQJUVLMDBFHC-HNNXBMFYSA-N -1 0 342.395 3.625 20 0 EHADRM C[C@@H]1CSc2ccc(Cl)cc2N(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])C1 ZINC001589409009 954498574 /nfs/dbraw/zinc/49/85/74/954498574.db2.gz RHJQVUFUOAXXCB-MVWJERBFSA-N -1 0 339.844 3.526 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2cc(Cl)c(Cl)cc2F)CCC1 ZINC000663354518 954540765 /nfs/dbraw/zinc/54/07/65/954540765.db2.gz RVRTULMUFXDLCW-UHFFFAOYSA-N -1 0 335.162 3.509 20 0 EHADRM O=C([O-])C1CCC(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2)CC1 ZINC000385929234 972021849 /nfs/dbraw/zinc/02/18/49/972021849.db2.gz BOVAVZYVQIOMKC-LZCJLJQNSA-N -1 0 342.222 3.766 20 0 EHADRM O=C([O-])CCCCNC(=O)Nc1ccc(F)cc1OC1CCCC1 ZINC000669501449 954576611 /nfs/dbraw/zinc/57/66/11/954576611.db2.gz DVQZFPLUBDZDQZ-UHFFFAOYSA-N -1 0 338.379 3.524 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1 ZINC000679096858 954590572 /nfs/dbraw/zinc/59/05/72/954590572.db2.gz MCOPYGWEGHKCLZ-IFXJQAMLSA-N -1 0 337.419 3.563 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000679397080 954594562 /nfs/dbraw/zinc/59/45/62/954594562.db2.gz QOLJQGWPPGILNB-VXGBXAGGSA-N -1 0 341.860 3.676 20 0 EHADRM CC[C@@H](C(=O)N(CC(=O)[O-])C1CCC1)c1cccc(C(F)(F)F)c1 ZINC001589426463 954627926 /nfs/dbraw/zinc/62/79/26/954627926.db2.gz KWIITGRTBJPHMB-CQSZACIVSA-N -1 0 343.345 3.665 20 0 EHADRM CC(C)[C@@H]1CCc2nc(NC(=O)[C@]3(C(=O)[O-])CC=CCC3)sc2C1 ZINC001602999117 972035201 /nfs/dbraw/zinc/03/52/01/972035201.db2.gz CMNLCVDZTRURMI-XIKOKIGWSA-N -1 0 348.468 3.654 20 0 EHADRM O=C([O-])[C@@H]1CCN(C/C=C\Cl)c2ccc(Br)cc21 ZINC001594933571 954838930 /nfs/dbraw/zinc/83/89/30/954838930.db2.gz UWDJZOIHTZJPAB-LMQQOLRNSA-N -1 0 330.609 3.580 20 0 EHADRM O=C([O-])[C@H]1CCN(C/C=C/Cl)c2ccc(Br)cc21 ZINC001594933572 954840119 /nfs/dbraw/zinc/84/01/19/954840119.db2.gz UWDJZOIHTZJPAB-OKEWEERVSA-N -1 0 330.609 3.580 20 0 EHADRM CC[C@H](C)c1cccc(NC(=O)N(CCC(=O)[O-])C2CCOCC2)c1 ZINC001589463452 954873742 /nfs/dbraw/zinc/87/37/42/954873742.db2.gz BNXRBZXLEYKAHN-AWEZNQCLSA-N -1 0 348.443 3.688 20 0 EHADRM O=C([O-])[C@H]1CCNc2ccc(-c3cccc(Cn4ccnc4)c3)cc21 ZINC001594940678 954884574 /nfs/dbraw/zinc/88/45/74/954884574.db2.gz MGXQJCNSIBWHTJ-KRWDZBQOSA-N -1 0 333.391 3.582 20 0 EHADRM CC[C@@H](CC(C)C)C(=O)Nc1sc2c(c1C(=O)[O-])COCC2 ZINC001589467780 954915169 /nfs/dbraw/zinc/91/51/69/954915169.db2.gz VFOAACZHXGGKJQ-JTQLQIEISA-N -1 0 325.430 3.530 20 0 EHADRM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1cccc2ccsc21 ZINC000386484117 972057687 /nfs/dbraw/zinc/05/76/87/972057687.db2.gz XGMZDJDOVGYHTG-MRXNPFEDSA-N -1 0 337.400 3.553 20 0 EHADRM CC(C)C[C@@H](CNC(=O)NC(C)(C)c1ccc(Cl)cc1)C(=O)[O-] ZINC001603008806 972057721 /nfs/dbraw/zinc/05/77/21/972057721.db2.gz IBXWHKQOXALIIX-LBPRGKRZSA-N -1 0 340.851 3.621 20 0 EHADRM CCC(CC)(CNC(=O)N1CCC(C)(c2ccccc2)CC1)C(=O)[O-] ZINC001589489135 955005400 /nfs/dbraw/zinc/00/54/00/955005400.db2.gz DBNDKFHVJGFHLY-UHFFFAOYSA-N -1 0 346.471 3.641 20 0 EHADRM CCC(CC)(CNC(=O)NCCc1ccc(C(C)C)cc1)C(=O)[O-] ZINC001589496425 955018390 /nfs/dbraw/zinc/01/83/90/955018390.db2.gz PQLZRGJWGKYPOL-UHFFFAOYSA-N -1 0 334.460 3.543 20 0 EHADRM CCC(CC)(CNC(=O)N[C@H](C)c1ccc(F)cc1Cl)C(=O)[O-] ZINC001589497752 955022199 /nfs/dbraw/zinc/02/21/99/955022199.db2.gz XIBRFUUACCPLJU-SNVBAGLBSA-N -1 0 344.814 3.730 20 0 EHADRM CC[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC001589515439 955067218 /nfs/dbraw/zinc/06/72/18/955067218.db2.gz ZYSZIIAWMGKTPB-WMZOPIPTSA-N -1 0 347.455 3.501 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)NCc2ccc3sccc3c2)co1 ZINC001594968534 955081093 /nfs/dbraw/zinc/08/10/93/955081093.db2.gz PJIFUJKCGUTSPB-DUXPYHPUSA-N -1 0 327.361 3.522 20 0 EHADRM CC[C@H](CNC(=O)N1CCCC[C@@H]1c1cccc(C)c1C)C(=O)[O-] ZINC001589529439 955144147 /nfs/dbraw/zinc/14/41/47/955144147.db2.gz VFJAPXHHOOKRQM-NVXWUHKLSA-N -1 0 332.444 3.651 20 0 EHADRM CC[C@H](CNC(=O)NCC(C)(C)c1ccc2ccccc2c1)C(=O)[O-] ZINC001589534380 955151354 /nfs/dbraw/zinc/15/13/54/955151354.db2.gz HBCMYEVVUKVHHT-CQSZACIVSA-N -1 0 342.439 3.527 20 0 EHADRM O=C([O-])c1cccc(C(=O)Oc2cccc(OCC(F)(F)F)c2)c1 ZINC000740221567 955258292 /nfs/dbraw/zinc/25/82/92/955258292.db2.gz RUWAZRBLTAJFJC-UHFFFAOYSA-N -1 0 340.253 3.545 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1 ZINC000767085284 955317425 /nfs/dbraw/zinc/31/74/25/955317425.db2.gz FFTJQDVFVGYURG-DVBBHNHCSA-N -1 0 333.384 3.547 20 0 EHADRM Cc1oc(-c2ccccc2)c(C(=O)NC[C@@H](C(=O)[O-])C(C)C)c1C ZINC001594504868 955352409 /nfs/dbraw/zinc/35/24/09/955352409.db2.gz YENLIZOLQLGCSQ-OAHLLOKOSA-N -1 0 329.396 3.650 20 0 EHADRM Cc1sc(-n2cccc2)c(C(=O)NCCCCCC(=O)[O-])c1C ZINC001594510754 955390029 /nfs/dbraw/zinc/39/00/29/955390029.db2.gz XNYQUIUYTFBYNH-UHFFFAOYSA-N -1 0 334.441 3.530 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NC2(c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000840943204 955566265 /nfs/dbraw/zinc/56/62/65/955566265.db2.gz NHBMTZQAUMXIMS-VHSXEESVSA-N -1 0 342.222 3.600 20 0 EHADRM C[C@H](CNC(=O)[C@@]1(C(=O)[O-])CC1(C)C)c1c(Cl)cccc1Cl ZINC001589042988 955595602 /nfs/dbraw/zinc/59/56/02/955595602.db2.gz CZFRQWCEIHRQDA-JDNHERCYSA-N -1 0 344.238 3.714 20 0 EHADRM CC(C)N(CCc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001603065488 972129738 /nfs/dbraw/zinc/12/97/38/972129738.db2.gz FUQKYHBKBVXTEK-UHFFFAOYSA-N -1 0 340.423 3.548 20 0 EHADRM CC(C)C[C@H](CNC(=O)/C=C/c1ccc2ccccc2n1)CC(=O)[O-] ZINC000852957160 955885006 /nfs/dbraw/zinc/88/50/06/955885006.db2.gz NMVFUEYFWVRWBI-FEAKQIBJSA-N -1 0 340.423 3.501 20 0 EHADRM CC(F)(F)c1cc(F)ccc1NC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001589085499 955898044 /nfs/dbraw/zinc/89/80/44/955898044.db2.gz ZLYLKZHSEYFGCO-SNVBAGLBSA-N -1 0 344.333 3.656 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N2CCCCC[C@H]2c2ccco2)o1 ZINC000864111293 955939119 /nfs/dbraw/zinc/93/91/19/955939119.db2.gz ZEVJREDLDNAAQQ-GDAGCXPBSA-N -1 0 329.352 3.728 20 0 EHADRM C[C@@H](CCc1ccc(F)cc1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000864120111 955947167 /nfs/dbraw/zinc/94/71/67/955947167.db2.gz SBBPIIOMYZCVHG-ZDUSSCGKSA-N -1 0 329.371 3.660 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)/C=C\c2ccc(C(=O)[O-])o2)C1 ZINC000864137956 955960653 /nfs/dbraw/zinc/96/06/53/955960653.db2.gz QRZNDFBWFUCMIB-LHPGRMCESA-N -1 0 343.354 3.740 20 0 EHADRM C[C@@H]1CN(C(=O)/C=C/c2ccc(F)c3ccccc23)CC[C@H]1C(=O)[O-] ZINC000864139144 955961423 /nfs/dbraw/zinc/96/14/23/955961423.db2.gz DULBHJZDQONPSM-ICGPHACGSA-N -1 0 341.382 3.561 20 0 EHADRM Cc1cc([C@@H](NC(=O)/C=C/c2ccc(C(=O)[O-])o2)C2CC2)ccc1F ZINC000864153055 955970031 /nfs/dbraw/zinc/97/00/31/955970031.db2.gz WSQLTODHIQQALD-YOCVDRLZSA-N -1 0 343.354 3.706 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)Nc2nc(C3CCCCC3)cs2)C1 ZINC000864607512 956009336 /nfs/dbraw/zinc/00/93/36/956009336.db2.gz TYOITESVGPIIMX-MRXNPFEDSA-N -1 0 337.445 3.519 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)c1cncs1 ZINC001589108315 956043528 /nfs/dbraw/zinc/04/35/28/956043528.db2.gz LBIYEDZXMLCFOX-LURJTMIESA-N -1 0 343.767 3.517 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1(c2ccccc2)CCCC1 ZINC001589114289 956079249 /nfs/dbraw/zinc/07/92/49/956079249.db2.gz IXDAUKQYMYKACA-HRCADAONSA-N -1 0 329.440 3.504 20 0 EHADRM C[C@H](NC(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589114790 956086062 /nfs/dbraw/zinc/08/60/62/956086062.db2.gz WGONBNJPHMZJQW-RDDKANTKSA-N -1 0 343.467 3.678 20 0 EHADRM Cc1ccc(F)c2oc(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)cc21 ZINC000899298028 956277291 /nfs/dbraw/zinc/27/72/91/956277291.db2.gz NNICZVOLYSJRFX-GFCCVEGCSA-N -1 0 333.359 3.597 20 0 EHADRM COC1CC(C(=O)Nc2scc(-c3ccsc3)c2C(=O)[O-])C1 ZINC001593946825 956336937 /nfs/dbraw/zinc/33/69/37/956336937.db2.gz DRIVAMXOAXSKFM-UHFFFAOYSA-N -1 0 337.422 3.538 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)CSCc2cccs2)cc1 ZINC000388627312 972182933 /nfs/dbraw/zinc/18/29/33/972182933.db2.gz OKYQTRRGPYZMED-UHFFFAOYSA-N -1 0 335.450 3.637 20 0 EHADRM C[C@H](c1ccc(C(=O)N2CCC(C)(C(=O)[O-])CC2)cc1)C(F)(F)F ZINC001589175115 956490962 /nfs/dbraw/zinc/49/09/62/956490962.db2.gz ZZMXBPZHRLHQCJ-LLVKDONJSA-N -1 0 343.345 3.679 20 0 EHADRM CC(C)Oc1cccc([C@@H](C)NC(=O)c2coc(/C=C\C(=O)[O-])c2)c1 ZINC000901834490 956496282 /nfs/dbraw/zinc/49/62/82/956496282.db2.gz XJSRHEAXWGECPJ-MEJMFZKBSA-N -1 0 343.379 3.656 20 0 EHADRM C[C@@H](NC(=O)CC(C)(C)CC(F)(F)F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000902026338 956616473 /nfs/dbraw/zinc/61/64/73/956616473.db2.gz LRIDOTTYEFTUBW-OUAUKWLOSA-N -1 0 337.382 3.607 20 0 EHADRM C[C@H](NC(=O)c1cccc(C(F)F)c1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000902029701 956619230 /nfs/dbraw/zinc/61/92/30/956619230.db2.gz JEMIJOAUIJSSCJ-KPXOXKRLSA-N -1 0 343.345 3.629 20 0 EHADRM O=C(/C=C/c1ccc(C(=O)[O-])o1)NCc1ccc(-c2ccccc2)o1 ZINC001594673608 956639148 /nfs/dbraw/zinc/63/91/48/956639148.db2.gz ZKJLCZZFCZQCJB-DHZHZOJOSA-N -1 0 337.331 3.567 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)Nc2cccc(OC(F)(F)F)c2)o1 ZINC001594673825 956640323 /nfs/dbraw/zinc/64/03/23/956640323.db2.gz LRCRZYWDIKIYOE-FNORWQNLSA-N -1 0 341.241 3.528 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)/C=C\c1ccc(F)c2ccccc12 ZINC001594674281 956644785 /nfs/dbraw/zinc/64/47/85/956644785.db2.gz FHAQWOYYJNZSQX-NTMALXAHSA-N -1 0 336.322 3.724 20 0 EHADRM CC1(C)CN(C(=O)c2coc(/C=C/C(=O)[O-])c2)[C@H]1c1cccs1 ZINC000902099227 956650887 /nfs/dbraw/zinc/65/08/87/956650887.db2.gz VJEBZBXZQRVWFL-NFAHFFEMSA-N -1 0 331.393 3.662 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCc1ccc(-c2ccccc2)s1 ZINC001589217462 956735324 /nfs/dbraw/zinc/73/53/24/956735324.db2.gz LFVZGKIYLUGLDT-SFHVURJKSA-N -1 0 329.421 3.532 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1ccc(Cl)c(Br)c1 ZINC001589218633 956746004 /nfs/dbraw/zinc/74/60/04/956746004.db2.gz ARFQWMKYPKAXKE-CYBMUJFWSA-N -1 0 346.608 3.542 20 0 EHADRM CC1(C)CCc2cccc(NC(=O)N3CCC(C)(C(=O)[O-])CC3)c2O1 ZINC001589227320 956810902 /nfs/dbraw/zinc/81/09/02/956810902.db2.gz WEGMBVRQXYVWJB-UHFFFAOYSA-N -1 0 346.427 3.509 20 0 EHADRM CC1(C)CN(C(=O)NCc2ccc(C(=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC001589230218 956817606 /nfs/dbraw/zinc/81/76/06/956817606.db2.gz PBOQUJADTWXODH-QGZVFWFLSA-N -1 0 338.407 3.678 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)CSCc1cccc(Cl)c1 ZINC001594703558 956826391 /nfs/dbraw/zinc/82/63/91/956826391.db2.gz JHLJCKKRYFAZQV-UHFFFAOYSA-N -1 0 349.839 3.588 20 0 EHADRM COCCOc1ccc(NCc2ccc(C(=O)[O-])s2)cc1Cl ZINC000903673787 956853999 /nfs/dbraw/zinc/85/39/99/956853999.db2.gz IGHHAPSHFLOHPY-UHFFFAOYSA-N -1 0 341.816 3.737 20 0 EHADRM CC(=O)N(c1ccc(NCc2ccc(C(=O)[O-])s2)cc1)C1CC1 ZINC000903689965 956870409 /nfs/dbraw/zinc/87/04/09/956870409.db2.gz PYOPIRXXEIRPKW-UHFFFAOYSA-N -1 0 330.409 3.574 20 0 EHADRM CCCOc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1OCC ZINC000013094733 956945011 /nfs/dbraw/zinc/94/50/11/956945011.db2.gz CZGWWIBFADLEIZ-UHFFFAOYSA-N -1 0 343.379 3.825 20 0 EHADRM CC(C)c1cncc(NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)c1 ZINC000904263252 956950867 /nfs/dbraw/zinc/95/08/67/956950867.db2.gz VNWXDMMQUNIZTC-UHFFFAOYSA-N -1 0 343.427 3.711 20 0 EHADRM CC1(c2cc(NC(=O)NCc3ccccc3C(=O)[O-])no2)CCCC1 ZINC001589252571 956962485 /nfs/dbraw/zinc/96/24/85/956962485.db2.gz KQSFHQOQZIZCHJ-UHFFFAOYSA-N -1 0 343.383 3.526 20 0 EHADRM C[C@H](CC1CCCC1)C(=O)Nc1sc2c(c1C(=O)[O-])COCC2 ZINC001603136587 972230165 /nfs/dbraw/zinc/23/01/65/972230165.db2.gz XVAGNKKPULBSCL-SNVBAGLBSA-N -1 0 337.441 3.674 20 0 EHADRM Cc1ccc(C)c(OCC(=O)Nc2ccc(Cl)cc2C(=O)[O-])c1 ZINC000013187412 956970931 /nfs/dbraw/zinc/97/09/31/956970931.db2.gz FMYZMFXTPLJCGE-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)NCC2CCCCCC2)c1F ZINC000389515162 972230868 /nfs/dbraw/zinc/23/08/68/972230868.db2.gz FENISRHDMFKTNP-UHFFFAOYSA-N -1 0 326.343 3.755 20 0 EHADRM O=C([O-])/C=C/c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000013190245 956976815 /nfs/dbraw/zinc/97/68/15/956976815.db2.gz HWQRYIBISWQDKE-SOFGYWHQSA-N -1 0 332.743 3.958 20 0 EHADRM C[C@H](c1ccc(C(=O)NC2CCC(C(=O)[O-])CC2)cc1)C(F)(F)F ZINC000909158027 957005610 /nfs/dbraw/zinc/00/56/10/957005610.db2.gz VDQAPVWCCJNASV-GWMXKSKGSA-N -1 0 343.345 3.726 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)N[C@H]2C[C@H]2C2CCCCC2)c2ccccc21 ZINC001594726879 957014046 /nfs/dbraw/zinc/01/40/46/957014046.db2.gz PBENJRUUIIMCCV-FJIDUMEYSA-N -1 0 342.439 3.568 20 0 EHADRM Cc1ccsc1CCCC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000909425676 957016458 /nfs/dbraw/zinc/01/64/58/957016458.db2.gz ZCJHNZOPTYTIFM-MRXNPFEDSA-N -1 0 343.448 3.590 20 0 EHADRM Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1ncccc1C(=O)[O-] ZINC000013310204 957016550 /nfs/dbraw/zinc/01/65/50/957016550.db2.gz SNGKHXPOWWNNRT-GFCCVEGCSA-N -1 0 330.409 3.516 20 0 EHADRM Cc1ccc(NC(=O)c2cc(Cl)c(Cl)nc2C)c(C(=O)[O-])c1 ZINC000389660165 972237142 /nfs/dbraw/zinc/23/71/42/972237142.db2.gz BKLSWLYTPWNQGD-UHFFFAOYSA-N -1 0 339.178 3.956 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cc1 ZINC000013438827 957076549 /nfs/dbraw/zinc/07/65/49/957076549.db2.gz XVYZZADAVIFVIF-UHFFFAOYSA-N -1 0 329.783 3.637 20 0 EHADRM CSc1ccc(Cl)c(C(=O)NCCc2ccc(C(=O)[O-])cc2)c1 ZINC000013442792 957082788 /nfs/dbraw/zinc/08/27/88/957082788.db2.gz PMAICZOUBIXLDU-UHFFFAOYSA-N -1 0 349.839 3.733 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1ccccc1C(F)(F)F ZINC000013448486 957086952 /nfs/dbraw/zinc/08/69/52/957086952.db2.gz PANUBWNLWBBMEA-UHFFFAOYSA-N -1 0 335.281 3.607 20 0 EHADRM CC(C)(C)c1ccc(-c2csc(NC(=O)CCC(=O)[O-])n2)cc1 ZINC000019753600 957117368 /nfs/dbraw/zinc/11/73/68/957117368.db2.gz XWPNSRGZSQBKQE-UHFFFAOYSA-N -1 0 332.425 3.911 20 0 EHADRM O=C([O-])C1(NC(=O)c2ccc(Cl)c(Cl)c2)CCCCCC1 ZINC000036947308 957246216 /nfs/dbraw/zinc/24/62/16/957246216.db2.gz KVUKVCKNLHEVFN-UHFFFAOYSA-N -1 0 330.211 3.901 20 0 EHADRM O=C([O-])c1ccc(Br)cc1NC(=O)c1cccc(F)c1 ZINC000037742275 957324568 /nfs/dbraw/zinc/32/45/68/957324568.db2.gz MVGXLDMLQLZYTP-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM CC(C)[C@@H](CNC(=O)N1CCC[C@@H]1c1cccc(Cl)c1)C(=O)[O-] ZINC001326842929 957333737 /nfs/dbraw/zinc/33/37/37/957333737.db2.gz ABTCIDPKVKSVOG-HUUCEWRRSA-N -1 0 338.835 3.543 20 0 EHADRM COc1ccc(N[C@H](C(=O)[O-])c2cccc(Br)c2)cc1 ZINC000037952881 957338033 /nfs/dbraw/zinc/33/80/33/957338033.db2.gz NWQQMKDUXLSYGG-AWEZNQCLSA-N -1 0 336.185 3.696 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCc1cc(Br)cs1 ZINC000043686638 957439832 /nfs/dbraw/zinc/43/98/32/957439832.db2.gz UDCPHGFPZHPPES-UHFFFAOYSA-N -1 0 343.198 3.796 20 0 EHADRM CN(Cc1ccc(Cl)s1)C(=O)NCCCCCCC(=O)[O-] ZINC000048987638 957471152 /nfs/dbraw/zinc/47/11/52/957471152.db2.gz TYGOXBLAPRRXAI-UHFFFAOYSA-N -1 0 332.853 3.578 20 0 EHADRM Cc1ccc(NC(=O)CCSc2ccc(F)cc2)c(C(=O)[O-])c1 ZINC000390306138 972274131 /nfs/dbraw/zinc/27/41/31/972274131.db2.gz MLFWXTAYIPLSEQ-UHFFFAOYSA-N -1 0 333.384 3.953 20 0 EHADRM C[C@H](CNC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)[O-] ZINC001603175239 972274595 /nfs/dbraw/zinc/27/45/95/972274595.db2.gz MQNXSZYJPRUMEQ-IAQYHMDHSA-N -1 0 338.835 3.591 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)[C@@H]1Cc3ccccc3S1)CCC2 ZINC000390317212 972274652 /nfs/dbraw/zinc/27/46/52/972274652.db2.gz PHBHGCFOEYSVOT-ZDUSSCGKSA-N -1 0 345.445 3.591 20 0 EHADRM CCc1nc(COc2ccc(C(=O)[O-])cc2Br)cs1 ZINC000060644941 957571562 /nfs/dbraw/zinc/57/15/62/957571562.db2.gz BUIFELAEIOJVJT-UHFFFAOYSA-N -1 0 342.214 3.745 20 0 EHADRM O=C([O-])CCCCCNC(=O)CC(c1ccccc1)c1ccccc1 ZINC000075240426 957740677 /nfs/dbraw/zinc/74/06/77/957740677.db2.gz FKKVVMKRQFPVDF-UHFFFAOYSA-N -1 0 339.435 3.970 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000075240453 957741028 /nfs/dbraw/zinc/74/10/28/957741028.db2.gz HBTFMMIWCHITRG-YWZLYKJASA-N -1 0 339.435 3.824 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2C[C@H]2c2cccc3ccccc32)ccn1 ZINC001574790406 957804651 /nfs/dbraw/zinc/80/46/51/957804651.db2.gz RYPIFURHTHAVTI-IRXDYDNUSA-N -1 0 332.359 3.675 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)O[C@@H]2COc3cc(Cl)ccc32)c1 ZINC001594289382 957813204 /nfs/dbraw/zinc/81/32/04/957813204.db2.gz RMPCXPJFGMTTSM-OAHLLOKOSA-N -1 0 332.739 3.637 20 0 EHADRM CON(C(=O)c1csc(-c2ccc(Cl)cc2)c1)[C@@H](C)C(=O)[O-] ZINC001594040303 957861218 /nfs/dbraw/zinc/86/12/18/957861218.db2.gz JRJMDTCUUHRYJU-VIFPVBQESA-N -1 0 339.800 3.545 20 0 EHADRM O=C([O-])c1cccnc1NC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC001574814849 957880912 /nfs/dbraw/zinc/88/09/12/957880912.db2.gz ARWSOKRXUYPBRF-IAGOWNOFSA-N -1 0 332.359 3.675 20 0 EHADRM Cc1cc(C)cc(CN(C)C(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC001594298164 957881934 /nfs/dbraw/zinc/88/19/34/957881934.db2.gz CSIUPOOCDZISNK-UHFFFAOYSA-N -1 0 326.396 3.594 20 0 EHADRM Cc1cc(C)cc([C@H](C)NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC001340476742 957919732 /nfs/dbraw/zinc/91/97/32/957919732.db2.gz KXCYJGYBXREEII-HOTGVXAUSA-N -1 0 332.444 3.651 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc3c(c2)CCCC3=O)CCCCCC1 ZINC001574826298 957940352 /nfs/dbraw/zinc/94/03/52/957940352.db2.gz UUVXJXBRLRIABH-UHFFFAOYSA-N -1 0 329.396 3.569 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)C1 ZINC001342720347 958012072 /nfs/dbraw/zinc/01/20/72/958012072.db2.gz JDVIGSUCHIDFSW-KRWDZBQOSA-N -1 0 334.803 3.538 20 0 EHADRM Cc1cscc1CNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000391087281 972316277 /nfs/dbraw/zinc/31/62/77/972316277.db2.gz WXKBAYLSVVOXER-UHFFFAOYSA-N -1 0 332.425 3.740 20 0 EHADRM COc1cc(Cl)cc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)c1 ZINC001594058767 958069267 /nfs/dbraw/zinc/06/92/67/958069267.db2.gz GKSFAEGUUVGLEY-HNNXBMFYSA-N -1 0 345.782 3.567 20 0 EHADRM C[C@@H]1CC[C@@H](NC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C[C@@H]1C ZINC000391130918 972319173 /nfs/dbraw/zinc/31/91/73/972319173.db2.gz CGIKDSJGOPTLMH-KXUCPTDWSA-N -1 0 326.343 3.609 20 0 EHADRM Cc1cc(NC(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)ccc1C(=O)[O-] ZINC001594321188 958132715 /nfs/dbraw/zinc/13/27/15/958132715.db2.gz XXZUAIGREVLEHS-RCCFBDPRSA-N -1 0 336.391 3.543 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(-c3ccccc3)s2)CC[C@@H]1C(=O)[O-] ZINC001353922269 958162057 /nfs/dbraw/zinc/16/20/57/958162057.db2.gz MUFDBGNVOCYMIC-OCCSQVGLSA-N -1 0 329.421 3.598 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)NCCC1CCC(F)(F)CC1 ZINC001357183790 958197513 /nfs/dbraw/zinc/19/75/13/958197513.db2.gz OAMWTZQFQOCZPX-AWEZNQCLSA-N -1 0 346.418 3.631 20 0 EHADRM Cc1ccc(SCCC(=O)N2CCCCC[C@H]2C(=O)[O-])cc1C ZINC000391286938 972327688 /nfs/dbraw/zinc/32/76/88/972327688.db2.gz NECVTJKQMGYUKY-INIZCTEOSA-N -1 0 335.469 3.641 20 0 EHADRM CCc1c(C(=O)N2CCC[C@](CC)(C(=O)[O-])C2)cnn1C(CC)CC ZINC001358237252 958202804 /nfs/dbraw/zinc/20/28/04/958202804.db2.gz CVYFYCFCCMHGIS-IBGZPJMESA-N -1 0 349.475 3.524 20 0 EHADRM C[C@H](NC(=O)C1(C(=O)[O-])CCCCCC1)c1ccc2c(c1)CCCO2 ZINC001603215675 972328938 /nfs/dbraw/zinc/32/89/38/972328938.db2.gz JXHYRTWOERHUMY-AWEZNQCLSA-N -1 0 345.439 3.614 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001594331328 958224396 /nfs/dbraw/zinc/22/43/96/958224396.db2.gz ZIIUTFZZXHYPCO-DYLGSBMWSA-N -1 0 343.379 3.722 20 0 EHADRM Cc1ccc(-c2ccc(Cl)cc2NC(=O)CSCC(=O)[O-])o1 ZINC001594334360 958253424 /nfs/dbraw/zinc/25/34/24/958253424.db2.gz UGNRBVPDJMPENW-UHFFFAOYSA-N -1 0 339.800 3.665 20 0 EHADRM Cc1ccc(C(=O)Nc2scc(-c3ccsc3)c2C(=O)[O-])nn1 ZINC001594349678 958337420 /nfs/dbraw/zinc/33/74/20/958337420.db2.gz JKDMYXGAINUSSJ-UHFFFAOYSA-N -1 0 345.405 3.526 20 0 EHADRM CCOc1ccc(C(=O)Nc2cc(C)c(C(=O)[O-])s2)cc1OCC ZINC000106790650 958370000 /nfs/dbraw/zinc/37/00/00/958370000.db2.gz WCDQEZCZBFXFPP-UHFFFAOYSA-N -1 0 349.408 3.804 20 0 EHADRM Cc1ccc(Br)cc1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000108655834 958377255 /nfs/dbraw/zinc/37/72/55/958377255.db2.gz FXJKACPYISFRHN-WDEREUQCSA-N -1 0 340.217 3.587 20 0 EHADRM Cc1ccc(CCC2CCN(C(=O)C3(C(=O)[O-])CC=CC3)CC2)cc1 ZINC001594355363 958410566 /nfs/dbraw/zinc/41/05/66/958410566.db2.gz JQGWTFDCNBYHKJ-UHFFFAOYSA-N -1 0 341.451 3.587 20 0 EHADRM COc1ccc(OC)c2sc(NCc3ccc(C(=O)[O-])cc3)nc21 ZINC001594109537 958502265 /nfs/dbraw/zinc/50/22/65/958502265.db2.gz OAUCGWSCIFXTHR-UHFFFAOYSA-N -1 0 344.392 3.624 20 0 EHADRM COc1ccc2[nH]c(NC(=O)C3(C(=O)[O-])CCCCCC3)cc2c1 ZINC001594112645 958531563 /nfs/dbraw/zinc/53/15/63/958531563.db2.gz GYYHQLHMARFWCK-UHFFFAOYSA-N -1 0 330.384 3.540 20 0 EHADRM C/C(=C(\F)C(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21)C1CC1 ZINC001573340719 958541465 /nfs/dbraw/zinc/54/14/65/958541465.db2.gz YGPICLAYWQEVOK-RNEAKCBISA-N -1 0 331.387 3.710 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](C(=O)[O-])C(C)C)cc1OCCC(C)C ZINC001594372910 958554518 /nfs/dbraw/zinc/55/45/18/958554518.db2.gz LMRDJLUSCABWFL-MRXNPFEDSA-N -1 0 336.432 3.651 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC001594123221 958609225 /nfs/dbraw/zinc/60/92/25/958609225.db2.gz FQHKFNXZDLJUFH-RVKKMQEKSA-N -1 0 347.455 3.538 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])c1 ZINC001594123405 958611361 /nfs/dbraw/zinc/61/13/61/958611361.db2.gz JUZCWTYFPQPQSE-VCBZYWHSSA-N -1 0 347.455 3.681 20 0 EHADRM Cc1ccc2c(CCC(=O)N3CCC[C@@H](CCC(=O)[O-])C3)c[nH]c2c1 ZINC001594382099 958641248 /nfs/dbraw/zinc/64/12/48/958641248.db2.gz SCYLHIUEFWFYKR-HNNXBMFYSA-N -1 0 342.439 3.512 20 0 EHADRM CC(=O)N(c1nc(CS[C@H](C)C(=O)[O-])cs1)c1ccccc1 ZINC001588493248 958660348 /nfs/dbraw/zinc/66/03/48/958660348.db2.gz YTJSOZVVBJETNU-SNVBAGLBSA-N -1 0 336.438 3.534 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)c1cc(C2CC2)cnc1Cl)C(=O)[O-] ZINC001573395944 958716827 /nfs/dbraw/zinc/71/68/27/958716827.db2.gz QZEFNWQXGKCFHI-CYBMUJFWSA-N -1 0 338.835 3.622 20 0 EHADRM Cc1cccc([C@@H](NC(=O)C[C@H](C)c2ccccc2F)C(=O)[O-])c1 ZINC001594391270 958725243 /nfs/dbraw/zinc/72/52/43/958725243.db2.gz BCORBDCBDHDQEH-SCLBCKFNSA-N -1 0 329.371 3.570 20 0 EHADRM Cc1cccc([C@H](NC(=O)CCc2cccc(Cl)c2)C(=O)[O-])c1 ZINC001594391536 958730027 /nfs/dbraw/zinc/73/00/27/958730027.db2.gz GOLBHEJGMZVCAC-KRWDZBQOSA-N -1 0 331.799 3.523 20 0 EHADRM Cc1cccc([C@@H](NCc2ncc(-c3cccs3)o2)C(=O)[O-])c1 ZINC001594396773 958773031 /nfs/dbraw/zinc/77/30/31/958773031.db2.gz BWUPFERGYWZHJJ-MRXNPFEDSA-N -1 0 328.393 3.627 20 0 EHADRM CCC[C@H](C)N(C)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000132507397 958787037 /nfs/dbraw/zinc/78/70/37/958787037.db2.gz OPUUYOCAESHDCG-VIFPVBQESA-N -1 0 343.221 3.800 20 0 EHADRM Cc1cccc([C@H](NC(=O)Nc2cc(F)ccc2Cl)C(=O)[O-])c1 ZINC001594398252 958798135 /nfs/dbraw/zinc/79/81/35/958798135.db2.gz TVUJDOJLYPUFJM-AWEZNQCLSA-N -1 0 336.750 3.735 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc2ccc(F)cc2s1 ZINC000391873824 972384898 /nfs/dbraw/zinc/38/48/98/972384898.db2.gz VYIZVXBJBINSSZ-BPNCWPANSA-N -1 0 347.411 3.898 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000391883457 972385960 /nfs/dbraw/zinc/38/59/60/972385960.db2.gz MWDTTYLCEKBPML-UHFFFAOYSA-N -1 0 327.311 3.855 20 0 EHADRM Cc1cccc(OCCCCC(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1 ZINC001594408750 958927440 /nfs/dbraw/zinc/92/74/40/958927440.db2.gz AFXFSTUWMFKLSH-UHFFFAOYSA-N -1 0 343.379 3.587 20 0 EHADRM Cc1cccc2c1CCC[C@H]2NC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C ZINC001594413179 958963590 /nfs/dbraw/zinc/96/35/90/958963590.db2.gz WHVGPEADFULGAN-OAHLLOKOSA-N -1 0 329.440 3.626 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001573509449 959080967 /nfs/dbraw/zinc/08/09/67/959080967.db2.gz HWCWKPFUQGZYLM-HUUCEWRRSA-N -1 0 349.471 3.615 20 0 EHADRM CC(C)CCO[C@H](C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001573517963 959115665 /nfs/dbraw/zinc/11/56/65/959115665.db2.gz LBZXAQVRYPSZFD-SECBINFHSA-N -1 0 331.771 3.567 20 0 EHADRM CSc1cc(NC(=O)NCc2ccc(C(=O)[O-])cc2)ccc1C ZINC001594189420 959158012 /nfs/dbraw/zinc/15/80/12/959158012.db2.gz DGWPHLLOTWNIBD-UHFFFAOYSA-N -1 0 330.409 3.737 20 0 EHADRM CSc1c(F)cc(NC(=O)c2coc(/C=C\C(=O)[O-])c2)cc1F ZINC001594189488 959158701 /nfs/dbraw/zinc/15/87/01/959158701.db2.gz ILJGSMWXKDVKMV-IHWYPQMZSA-N -1 0 339.319 3.630 20 0 EHADRM CSc1c(F)cccc1C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001594189494 959158910 /nfs/dbraw/zinc/15/89/10/959158910.db2.gz IZAKKMBYBZICJA-LBPRGKRZSA-N -1 0 327.421 3.557 20 0 EHADRM CSc1cccc(F)c1CNC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001594195940 959193781 /nfs/dbraw/zinc/19/37/81/959193781.db2.gz BCOCOHBWYBPPNK-UHFFFAOYSA-N -1 0 339.432 3.589 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccn2)c1 ZINC001573544035 959199372 /nfs/dbraw/zinc/19/93/72/959199372.db2.gz POKBVAOTUTYZRP-ZDUSSCGKSA-N -1 0 326.396 3.721 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]1 ZINC001588575124 959212272 /nfs/dbraw/zinc/21/22/72/959212272.db2.gz FJLNIDUXZDYPFA-SECBINFHSA-N -1 0 343.770 3.543 20 0 EHADRM CSc1ccccc1[C@H](C)NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001594198025 959214729 /nfs/dbraw/zinc/21/47/29/959214729.db2.gz SZXYNYFCHPGAAH-AEZGRPFRSA-N -1 0 331.393 3.590 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1c1nc(C23CC4CC(CC(C4)C2)C3)no1 ZINC000392124861 972411997 /nfs/dbraw/zinc/41/19/97/972411997.db2.gz GEXVIBUYHNLUJV-FVEFZWAJSA-N -1 0 330.428 3.896 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2Cl)cc1)C(=O)[O-] ZINC001594203687 959262004 /nfs/dbraw/zinc/26/20/04/959262004.db2.gz HZZVBOKOTRVKHT-SNVBAGLBSA-N -1 0 334.759 3.727 20 0 EHADRM C[C@@H](NC(=O)c1coc(/C=C\C(=O)[O-])c1)c1ccc(Cl)s1 ZINC001594206538 959272562 /nfs/dbraw/zinc/27/25/62/959272562.db2.gz VJGCAOLVMMASLB-ZTHSNPKKSA-N -1 0 325.773 3.583 20 0 EHADRM Cc1nc(C(F)(F)F)c(CNc2cccc(CC(=O)[O-])c2)s1 ZINC001594449571 959351767 /nfs/dbraw/zinc/35/17/67/959351767.db2.gz BWALZOTZOFKFMC-UHFFFAOYSA-N -1 0 330.331 3.710 20 0 EHADRM C[C@@H](C(=O)[O-])c1noc(-c2cc(-c3ccco3)nc3ccccc32)n1 ZINC001588600317 959419747 /nfs/dbraw/zinc/41/97/47/959419747.db2.gz WWOSBRZSQKZNNG-SNVBAGLBSA-N -1 0 335.319 3.733 20 0 EHADRM Cc1nc(NC(=O)N([C@H](C)C(=O)[O-])C2CC2)sc1-c1ccccc1 ZINC001594456680 959423260 /nfs/dbraw/zinc/42/32/60/959423260.db2.gz OKQSVUNFYFJPTB-LLVKDONJSA-N -1 0 345.424 3.588 20 0 EHADRM Cc1[nH]c2ccc(C(=O)NCC3(C(=O)[O-])CCCCC3)cc2c1C ZINC000179193122 959432450 /nfs/dbraw/zinc/43/24/50/959432450.db2.gz JLUBJGBMWOAVIZ-UHFFFAOYSA-N -1 0 328.412 3.550 20 0 EHADRM C[C@@H](C(=O)[O-])c1noc(C(F)(F)c2cccc(Cl)c2Cl)n1 ZINC001588602342 959437771 /nfs/dbraw/zinc/43/77/71/959437771.db2.gz GXAQJZVCAGLBAL-RXMQYKEDSA-N -1 0 337.109 3.705 20 0 EHADRM C[C@@H](NC(=O)c1cc(C(=O)[O-])co1)C(c1ccccc1)c1ccccc1 ZINC000183767047 959445789 /nfs/dbraw/zinc/44/57/89/959445789.db2.gz MPSWACLNIREMGB-CQSZACIVSA-N -1 0 349.386 3.928 20 0 EHADRM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(C(=O)[O-])co1 ZINC000183804436 959452391 /nfs/dbraw/zinc/45/23/91/959452391.db2.gz FGQHSVAWNSBWBZ-UHFFFAOYSA-N -1 0 328.151 3.557 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC001573607445 959456967 /nfs/dbraw/zinc/45/69/67/959456967.db2.gz AWOAJTWEAJGNCB-SNVBAGLBSA-N -1 0 333.771 3.561 20 0 EHADRM C[N@H+](CCOc1ccccc1C(=O)[O-])Cc1cc2ccccc2o1 ZINC000183927447 959457878 /nfs/dbraw/zinc/45/78/78/959457878.db2.gz FNHIVEACVBENJC-UHFFFAOYSA-N -1 0 325.364 3.642 20 0 EHADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)O[C@@H]1CCc2c1cc(Cl)cc2Cl ZINC001594232010 959482949 /nfs/dbraw/zinc/48/29/49/959482949.db2.gz XRPPMSYXXRSFLY-XNWPFCQHSA-N -1 0 329.179 3.635 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2c2cccc3ccccc32)cn1 ZINC000190623016 959514766 /nfs/dbraw/zinc/51/47/66/959514766.db2.gz XXFZNJXUVFGEAY-IBGZPJMESA-N -1 0 346.386 3.910 20 0 EHADRM C[C@H]1SCCN(C(=O)CC(C)(C)CC(=O)[O-])[C@H]1c1ccccc1 ZINC000191134689 959541869 /nfs/dbraw/zinc/54/18/69/959541869.db2.gz ONURNZIBLUJYLS-CXAGYDPISA-N -1 0 335.469 3.583 20 0 EHADRM C[C@@H](CC(=O)Nc1cc(C(=O)[O-])cs1)c1ccc(F)cc1F ZINC000191351035 959554474 /nfs/dbraw/zinc/55/44/74/959554474.db2.gz FHKQQDGNFQYOPN-QMMMGPOBSA-N -1 0 325.336 3.857 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000191396203 959558965 /nfs/dbraw/zinc/55/89/65/959558965.db2.gz DXPBVADSHIZHKL-KGLIPLIRSA-N -1 0 343.398 3.906 20 0 EHADRM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1 ZINC000191399089 959559297 /nfs/dbraw/zinc/55/92/97/959559297.db2.gz YNUJRYXEXDQSDC-GJZGRUSLSA-N -1 0 341.407 3.664 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2cc(-c3ccccc3)[nH]n2)cc1)C(=O)[O-] ZINC000191429906 959566353 /nfs/dbraw/zinc/56/63/53/959566353.db2.gz JINGIYUDCMNDOQ-ZDUSSCGKSA-N -1 0 349.390 3.592 20 0 EHADRM Cc1cc(C)cc(C2=CCN(C(=O)c3cc(C(=O)[O-])co3)CC2)c1 ZINC000193022350 959607947 /nfs/dbraw/zinc/60/79/47/959607947.db2.gz KOSCKIATHCIVPE-UHFFFAOYSA-N -1 0 325.364 3.524 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC001594256457 959650189 /nfs/dbraw/zinc/65/01/89/959650189.db2.gz CUUXJXGRIJTMLO-XPTSAGLGSA-N -1 0 335.400 3.674 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OCCOc1ccc(C)cc1 ZINC000207039928 959662477 /nfs/dbraw/zinc/66/24/77/959662477.db2.gz FHLIUIDTBCHWGG-POHAHGRESA-N -1 0 328.364 3.559 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1ccc(Br)c(Cl)c1 ZINC001573667654 959706418 /nfs/dbraw/zinc/70/64/18/959706418.db2.gz LALIAZYYSOETBA-CYBMUJFWSA-N -1 0 346.608 3.542 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)[C@H]1CC(C)(C)Oc2ccccc21)C(=O)[O-] ZINC001588644977 959726543 /nfs/dbraw/zinc/72/65/43/959726543.db2.gz GSPLVBZVBZIGGE-GJZGRUSLSA-N -1 0 347.455 3.727 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C2(c3cccc(Cl)c3)CCCC2)C1 ZINC001573697640 959789343 /nfs/dbraw/zinc/78/93/43/959789343.db2.gz BBLNHCYJBMTWIF-KBPBESRZSA-N -1 0 349.858 3.721 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc(C(C)(C)C)c(F)c2)C1 ZINC001573700723 959830110 /nfs/dbraw/zinc/83/01/10/959830110.db2.gz ZDLUEIAXRUPNNC-RYUDHWBXSA-N -1 0 336.407 3.698 20 0 EHADRM C[C@@H]1C[C@H](CCNC(=O)c2ccc(OCC(=O)[O-])cc2)CC(C)(C)C1 ZINC001573701316 959835059 /nfs/dbraw/zinc/83/50/59/959835059.db2.gz NFDPGZYMUUWJEI-CABCVRRESA-N -1 0 347.455 3.732 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)[C@@H]1CCCc2ccccc21 ZINC000392289972 972464909 /nfs/dbraw/zinc/46/49/09/972464909.db2.gz QOGDLINFIZSASL-MSOLQXFVSA-N -1 0 329.440 3.646 20 0 EHADRM CC1(C)CCC[N@H+](Cc2ccc(C(=O)[O-])cc2Br)C1 ZINC000226731803 959900305 /nfs/dbraw/zinc/90/03/05/959900305.db2.gz CFRMVYSNXNAAPE-UHFFFAOYSA-N -1 0 326.234 3.769 20 0 EHADRM CCc1cc(Br)ccc1NC(=O)c1cc(C(=O)[O-])co1 ZINC000228150677 959992994 /nfs/dbraw/zinc/99/29/94/959992994.db2.gz UVSKSFFXYNQWDX-UHFFFAOYSA-N -1 0 338.157 3.555 20 0 EHADRM CC(C)[C@H](NC(=O)Cc1ccccc1C(=O)[O-])c1ccc(F)cc1 ZINC000392415696 972483787 /nfs/dbraw/zinc/48/37/87/972483787.db2.gz XMQLGWQLSUTWCW-SFHVURJKSA-N -1 0 329.371 3.580 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2cc3ccccc3c(Cl)n2)cc1 ZINC000392562855 972498490 /nfs/dbraw/zinc/49/84/90/972498490.db2.gz ZVJWKFDPXTXLFO-UHFFFAOYSA-N -1 0 340.766 3.516 20 0 EHADRM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000392618426 972502325 /nfs/dbraw/zinc/50/23/25/972502325.db2.gz ZYVLAQHWFNJXOQ-GFCCVEGCSA-N -1 0 347.798 3.763 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)CCCc1ccc(C2CC2)cc1 ZINC001574265768 960578221 /nfs/dbraw/zinc/57/82/21/960578221.db2.gz CKCQQTYPPBAVLX-RDTXWAMCSA-N -1 0 329.440 3.741 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)CSc1cc(Cl)ccc1Cl ZINC001574274022 960616317 /nfs/dbraw/zinc/61/63/17/960616317.db2.gz ZHTWQQWGKHTEPU-LDYMZIIASA-N -1 0 348.251 3.550 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(Cl)c2Br)o1 ZINC000236460201 960635559 /nfs/dbraw/zinc/63/55/59/960635559.db2.gz PSQCMHDPYAQSNI-UHFFFAOYSA-N -1 0 344.548 3.646 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(CC(=O)[O-])c2)c2ccc(F)cc2n1 ZINC001254211094 960649260 /nfs/dbraw/zinc/64/92/60/960649260.db2.gz JMFZIIDPHGLHAX-UHFFFAOYSA-N -1 0 338.338 3.562 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)c1cccc(Oc2ccncc2)c1 ZINC001605808398 972523345 /nfs/dbraw/zinc/52/33/45/972523345.db2.gz AZQWWYQGYHBXIV-UHFFFAOYSA-N -1 0 348.358 3.502 20 0 EHADRM CC[C@H](C)Cc1c(C)sc2[nH]c(S[C@H](C)C(=O)[O-])nc(=O)c12 ZINC001573776927 960698541 /nfs/dbraw/zinc/69/85/41/960698541.db2.gz SBFODLRDZVQIBK-IONNQARKSA-N -1 0 340.470 3.859 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)Nc1cccnc1C(=O)[O-] ZINC001574298034 960708593 /nfs/dbraw/zinc/70/85/93/960708593.db2.gz WANUYTIAGIIMCM-UHFFFAOYSA-N -1 0 330.340 3.694 20 0 EHADRM CC(C)Oc1ccc(Cl)cc1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000236650916 960723089 /nfs/dbraw/zinc/72/30/89/960723089.db2.gz JDTWPFWVPAOJTR-UHFFFAOYSA-N -1 0 347.798 3.755 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(Br)c(C)c1F ZINC001573785369 960734908 /nfs/dbraw/zinc/73/49/08/960734908.db2.gz RDFNCNGEFSASIK-UHFFFAOYSA-N -1 0 346.196 3.726 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)c3ccc(C(=O)[O-])o3)ccc2o1 ZINC000236731825 960744757 /nfs/dbraw/zinc/74/47/57/960744757.db2.gz JSZPCTISSMMXIP-UHFFFAOYSA-N -1 0 328.324 3.669 20 0 EHADRM CC(C)(C)c1ccccc1OCC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000236754203 960750538 /nfs/dbraw/zinc/75/05/38/960750538.db2.gz JFENSXPENMSDSN-UHFFFAOYSA-N -1 0 345.370 3.839 20 0 EHADRM CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1(C)C ZINC000236749439 960751180 /nfs/dbraw/zinc/75/11/80/960751180.db2.gz XZQGBJXPVRZECQ-RDJZCZTQSA-N -1 0 331.412 3.717 20 0 EHADRM CCCCC[C@@H](NC(=O)c1cccc(Br)c1C)C(=O)[O-] ZINC000236839794 960769140 /nfs/dbraw/zinc/76/91/40/960769140.db2.gz MOZNJAXNVNMXIA-CYBMUJFWSA-N -1 0 342.233 3.521 20 0 EHADRM CCC[C@@H](NC(=O)c1ccc(-c2ccc(C)cc2)cc1F)C(=O)[O-] ZINC000236896241 960791066 /nfs/dbraw/zinc/79/10/66/960791066.db2.gz LUHXBDONQCLZLD-QGZVFWFLSA-N -1 0 329.371 3.784 20 0 EHADRM O=C([O-])CC1CC(Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)C1 ZINC001262159301 960797666 /nfs/dbraw/zinc/79/76/66/960797666.db2.gz QJOHXTNEKQEVKN-UHFFFAOYSA-N -1 0 348.786 3.851 20 0 EHADRM Cc1cc(C)c2cc(NC(=O)Cc3ccccc3C(=O)[O-])ccc2n1 ZINC001574322578 960832500 /nfs/dbraw/zinc/83/25/00/960832500.db2.gz TZSNABUFOGOAND-UHFFFAOYSA-N -1 0 334.375 3.731 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)c1ccc(OCC2CCCCC2)cc1 ZINC000237026949 960842009 /nfs/dbraw/zinc/84/20/09/960842009.db2.gz PILPZUUTRWRORW-UHFFFAOYSA-N -1 0 333.428 3.583 20 0 EHADRM Cc1cc(Cl)c(NC(=O)C2(CC(=O)[O-])CCOCC2)cc1Cl ZINC001574329411 960866579 /nfs/dbraw/zinc/86/65/79/960866579.db2.gz AXDPEDADWGXKOB-UHFFFAOYSA-N -1 0 346.210 3.512 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000237102215 960869748 /nfs/dbraw/zinc/86/97/48/960869748.db2.gz IOGZNBXWERELJH-MEDUHNTESA-N -1 0 345.361 3.959 20 0 EHADRM CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(CC)[C@@H](C)C(=O)[O-] ZINC001573809151 960869862 /nfs/dbraw/zinc/86/98/62/960869862.db2.gz LQJBUIJWKHAREZ-WCQYABFASA-N -1 0 345.361 3.596 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)CCCc2cccs2)cc1 ZINC001319217119 960923115 /nfs/dbraw/zinc/92/31/15/960923115.db2.gz GSVYGBSPHBXBTG-MRXNPFEDSA-N -1 0 331.437 3.711 20 0 EHADRM Cc1cccc(Nc2ccccc2C(=O)N[C@@H](C)CC(=O)[O-])c1C ZINC000237461150 960939165 /nfs/dbraw/zinc/93/91/65/960939165.db2.gz LVGVDENMLUFTTF-ZDUSSCGKSA-N -1 0 326.396 3.640 20 0 EHADRM Cc1cc(NC(=O)c2ccc3c(c2)OC(C)(C)C3)ccc1C(=O)[O-] ZINC001574341293 960939272 /nfs/dbraw/zinc/93/92/72/960939272.db2.gz OJVJXCYGRGASIN-UHFFFAOYSA-N -1 0 325.364 3.659 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)N2CCCC[C@H]2CCC(=O)[O-])s1 ZINC001574343592 960955024 /nfs/dbraw/zinc/95/50/24/960955024.db2.gz ZDXJCQAFKPJSDF-JTQLQIEISA-N -1 0 347.383 3.517 20 0 EHADRM Cc1cc(C(=O)N(CC(=O)[O-])Cc2ccccc2)c(Cl)cc1F ZINC000237669561 960991014 /nfs/dbraw/zinc/99/10/14/960991014.db2.gz ZFSVPTPBVAWWAR-UHFFFAOYSA-N -1 0 335.762 3.515 20 0 EHADRM Cc1ccc(NC(=O)CCc2cn(C)c3ccccc23)cc1C(=O)[O-] ZINC000237676195 960992590 /nfs/dbraw/zinc/99/25/90/960992590.db2.gz XFVBNKFQRMPZBJ-UHFFFAOYSA-N -1 0 336.391 3.756 20 0 EHADRM Cc1cc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c(C)n1C1CC1 ZINC000237677770 960992691 /nfs/dbraw/zinc/99/26/91/960992691.db2.gz BLSYGZRUGXYUNS-FZKQIMNGSA-N -1 0 340.423 3.632 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cc2c(s1)CCCC2)c1ccccc1 ZINC000237678621 960992963 /nfs/dbraw/zinc/99/29/63/960992963.db2.gz MRQBUTPDCYIZQN-SJKOYZFVSA-N -1 0 343.448 3.819 20 0 EHADRM Cc1[nH]c2c(cccc2C(=O)NCCCCCCCC(=O)[O-])c1C ZINC000237699206 960999471 /nfs/dbraw/zinc/99/94/71/960999471.db2.gz OKMUVXCRILGZOP-UHFFFAOYSA-N -1 0 330.428 3.940 20 0 EHADRM Cc1ccc(CCCC(=O)Nc2ccc(OCCC(=O)[O-])cc2)cc1 ZINC000237700182 960999767 /nfs/dbraw/zinc/99/97/67/960999767.db2.gz LKPZMXINVSZLCA-UHFFFAOYSA-N -1 0 341.407 3.810 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001324182839 961027905 /nfs/dbraw/zinc/02/79/05/961027905.db2.gz BHONJBZNBVDVBX-VAWYXSNFSA-N -1 0 325.364 3.744 20 0 EHADRM Cc1cc(NC(=O)COc2ccc3c(c2)CCCC3)ccc1C(=O)[O-] ZINC000237806048 961028159 /nfs/dbraw/zinc/02/81/59/961028159.db2.gz ODKVUZJTUVRBFE-UHFFFAOYSA-N -1 0 339.391 3.590 20 0 EHADRM Cc1cccc(C(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)c1C ZINC000237837068 961031217 /nfs/dbraw/zinc/03/12/17/961031217.db2.gz ZMXFNMFAMNTYGS-UHFFFAOYSA-N -1 0 348.402 3.681 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N2C[C@@H]3CCCC[C@@]32c2ccccc2)c1 ZINC001324667039 961041990 /nfs/dbraw/zinc/04/19/90/961041990.db2.gz YYMWXYKSEAXVEO-SIKLNZKXSA-N -1 0 349.430 3.855 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2C[C@]23CCc2ccccc23)cc1 ZINC001325142459 961050733 /nfs/dbraw/zinc/05/07/33/961050733.db2.gz DRTCTHWIUBGHMK-DXIQSLLYSA-N -1 0 349.430 3.531 20 0 EHADRM Cc1cc(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c(C)n1CC1CC1 ZINC001325583589 961057574 /nfs/dbraw/zinc/05/75/74/961057574.db2.gz ZEUGATPERUVTEE-CYBMUJFWSA-N -1 0 340.423 3.955 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCc2cccc(Oc3ccccc3)c2)o1 ZINC000238024933 961081165 /nfs/dbraw/zinc/08/11/65/961081165.db2.gz JVIDXKYOEORIGG-UHFFFAOYSA-N -1 0 337.331 3.700 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)o1 ZINC000238049029 961086068 /nfs/dbraw/zinc/08/60/68/961086068.db2.gz SDFHEEPMBRCIIF-UHFFFAOYSA-N -1 0 337.331 3.809 20 0 EHADRM O=C([O-])[C@@H]1CCCN1C(=O)CSc1cccc2cccc(Cl)c21 ZINC000238067520 961091234 /nfs/dbraw/zinc/09/12/34/961091234.db2.gz NNMNOAPAJKOYGF-ZDUSSCGKSA-N -1 0 349.839 3.661 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2cccc3c4c([nH]c32)CCCC4)c1 ZINC000238065069 961091568 /nfs/dbraw/zinc/09/15/68/961091568.db2.gz XZYOEVPJUWPWDW-UHFFFAOYSA-N -1 0 348.402 3.675 20 0 EHADRM CC(C)(C)OC1CC(CC(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)C1 ZINC001588732062 961092155 /nfs/dbraw/zinc/09/21/55/961092155.db2.gz KGTWFPBHUOGOKW-ZBCRRDGASA-N -1 0 345.439 3.575 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N[C@H](CC(C)(C)C)C(=O)[O-])c(Cl)c2c1 ZINC001326535431 961104847 /nfs/dbraw/zinc/10/48/47/961104847.db2.gz SLGCMCUSQXDHQT-GFCCVEGCSA-N -1 0 336.819 3.749 20 0 EHADRM CC(C)(C)OCCCC(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21 ZINC001588733203 961109111 /nfs/dbraw/zinc/10/91/11/961109111.db2.gz NEPNIVZLCBNRQF-HNNXBMFYSA-N -1 0 347.455 3.652 20 0 EHADRM CCCCOc1ccc(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC001573848431 961109252 /nfs/dbraw/zinc/10/92/52/961109252.db2.gz DURFSOZGIGGDJG-XOKHGSTOSA-N -1 0 347.455 3.731 20 0 EHADRM CCCCOc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001573849289 961122637 /nfs/dbraw/zinc/12/26/37/961122637.db2.gz YHBZRCBIVJNEDF-KRWDZBQOSA-N -1 0 345.370 3.560 20 0 EHADRM CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cc1 ZINC001588739748 961159142 /nfs/dbraw/zinc/15/91/42/961159142.db2.gz RHNYJZAIFOZXKM-UAGQMJEPSA-N -1 0 344.455 3.694 20 0 EHADRM CC(C)(C)c1ccc(C(F)(F)C(=O)N2CCC[C@]2(C)C(=O)[O-])cc1 ZINC001588739831 961160972 /nfs/dbraw/zinc/16/09/72/961160972.db2.gz XDSAIUDDJRQWKQ-QGZVFWFLSA-N -1 0 339.382 3.542 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc2s1 ZINC000238209819 961161275 /nfs/dbraw/zinc/16/12/75/961161275.db2.gz SJSLWRBDUHFZNA-UHFFFAOYSA-N -1 0 342.332 3.760 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2cccc(OC3CCCC3)c2)c1 ZINC000238213508 961164254 /nfs/dbraw/zinc/16/42/54/961164254.db2.gz KRYYWKWWFNAKGZ-UHFFFAOYSA-N -1 0 325.364 3.959 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC001573862399 961177896 /nfs/dbraw/zinc/17/78/96/961177896.db2.gz QTIWSQIPCLENPC-INIZCTEOSA-N -1 0 325.792 3.568 20 0 EHADRM CC[C@H](C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-])c1ccccc1 ZINC000248763370 961197890 /nfs/dbraw/zinc/19/78/90/961197890.db2.gz RAAUMIASGZUPIC-JCGIZDLHSA-N -1 0 325.408 3.758 20 0 EHADRM CCc1oc2ccccc2c1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001328525451 961211415 /nfs/dbraw/zinc/21/14/15/961211415.db2.gz QKNYDMAIFQEUTO-UHFFFAOYSA-N -1 0 339.347 3.711 20 0 EHADRM CC(C)(C)n1cc(CN2C[C@H](CCC(=O)[O-])Cc3ccccc32)cn1 ZINC001588749282 961212542 /nfs/dbraw/zinc/21/25/42/961212542.db2.gz YPGUSJJCGAHPGC-OAHLLOKOSA-N -1 0 341.455 3.682 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2Cc3ccc(Cl)cc32)cc1 ZINC001329286891 961258394 /nfs/dbraw/zinc/25/83/94/961258394.db2.gz FQHDADHCMBUDKC-IRXDYDNUSA-N -1 0 343.810 3.620 20 0 EHADRM CC1CCN(c2ccc(NC(=O)c3ccc(C(=O)[O-])cc3)cc2)CC1 ZINC001329413356 961269885 /nfs/dbraw/zinc/26/98/85/961269885.db2.gz GDOWWFNEVPWJKP-UHFFFAOYSA-N -1 0 338.407 3.873 20 0 EHADRM Cc1cccn2cc(-c3ccc(NC(=O)CCCC(=O)[O-])cc3)nc12 ZINC001574408481 961273802 /nfs/dbraw/zinc/27/38/02/961273802.db2.gz ZPRSJQQMPAXQRZ-UHFFFAOYSA-N -1 0 337.379 3.503 20 0 EHADRM Cc1coc(-c2cccc(NC(=O)/C=C\c3ccc(C(=O)[O-])o3)c2)n1 ZINC001574412750 961303789 /nfs/dbraw/zinc/30/37/89/961303789.db2.gz UAYLZZRYLGSRAL-VURMDHGXSA-N -1 0 338.319 3.593 20 0 EHADRM Cc1nc(-c2ccc(C(=O)Nc3cncc(C(=O)[O-])c3)s2)cs1 ZINC001574417727 961330599 /nfs/dbraw/zinc/33/05/99/961330599.db2.gz GSYNGHMPNSJSPL-UHFFFAOYSA-N -1 0 345.405 3.526 20 0 EHADRM CC(C)(c1csc(NC(=O)[C@@H](C(=O)[O-])C2CC2)n1)c1ccccc1 ZINC001588794934 961373379 /nfs/dbraw/zinc/37/33/79/961373379.db2.gz WXDISVZXTUKYLM-AWEZNQCLSA-N -1 0 344.436 3.518 20 0 EHADRM Cc1cc(C(=O)N[C@H](CC(=O)[O-])c2cccc(C)c2)c(C)n1C1CC1 ZINC001331827371 961395131 /nfs/dbraw/zinc/39/51/31/961395131.db2.gz PZLUSYYUYVITDI-GOSISDBHSA-N -1 0 340.423 3.694 20 0 EHADRM CC[C@@H]1c2ccsc2CCN1C(=O)Cc1ccccc1C(=O)[O-] ZINC000261911730 961398197 /nfs/dbraw/zinc/39/81/97/961398197.db2.gz QIUVVSKLFNPJEF-OAHLLOKOSA-N -1 0 329.421 3.525 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000261947139 961400462 /nfs/dbraw/zinc/40/04/62/961400462.db2.gz VUOLVKRUFDJAQT-CHWSQXEVSA-N -1 0 329.318 3.621 20 0 EHADRM Cc1occ(C(F)(F)F)c1C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001574444076 961440651 /nfs/dbraw/zinc/44/06/51/961440651.db2.gz OTHPDTHWEWWLHN-UHFFFAOYSA-N -1 0 333.306 3.514 20 0 EHADRM COc1ccc([C@H](C)N(C)C(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC000262150876 961502255 /nfs/dbraw/zinc/50/22/55/961502255.db2.gz JLWNCNIHNZEGOU-AWEZNQCLSA-N -1 0 341.407 3.546 20 0 EHADRM CCOc1ccc(C[C@@H](C)C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC001573919530 961518793 /nfs/dbraw/zinc/51/87/93/961518793.db2.gz CYUOXRBVPMUYMK-NVXWUHKLSA-N -1 0 347.455 3.510 20 0 EHADRM Cn1cc(CCC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c2ccccc21 ZINC001574457496 961523859 /nfs/dbraw/zinc/52/38/59/961523859.db2.gz DBLWEWDUWVBIBZ-INIZCTEOSA-N -1 0 344.455 3.507 20 0 EHADRM CC(C)CCn1ncc(NC(=O)c2ccc(C(=O)[O-])o2)c1C(C)C ZINC001332191081 961526424 /nfs/dbraw/zinc/52/64/24/961526424.db2.gz YCHDHHIZBTUAFR-UHFFFAOYSA-N -1 0 333.388 3.596 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)C[C@H]1CCCc3ccccc31)CC2 ZINC000262188073 961534421 /nfs/dbraw/zinc/53/44/21/961534421.db2.gz NBGNQYMPJJPFJF-QGZVFWFLSA-N -1 0 349.430 3.780 20 0 EHADRM CCC1CCC(N(C(=O)c2cccc(OCC(=O)[O-])c2)C2CC2)CC1 ZINC000262189313 961536538 /nfs/dbraw/zinc/53/65/38/961536538.db2.gz SORBJANEIVTOFK-UHFFFAOYSA-N -1 0 345.439 3.723 20 0 EHADRM CCC[C@H](Cc1ccccc1)NC(=O)CCc1ccccc1C(=O)[O-] ZINC000262220201 961565525 /nfs/dbraw/zinc/56/55/25/961565525.db2.gz QXKKQJQDRWTUHQ-GOSISDBHSA-N -1 0 339.435 3.845 20 0 EHADRM CCSc1ccccc1CC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001573932100 961584417 /nfs/dbraw/zinc/58/44/17/961584417.db2.gz NKBSFHCLTZHJIQ-HNNXBMFYSA-N -1 0 335.469 3.587 20 0 EHADRM COc1c(C)ccc(NC(=O)CCc2ccccc2C(=O)[O-])c1C ZINC000262253588 961595341 /nfs/dbraw/zinc/59/53/41/961595341.db2.gz ZPRCFKDVKTVALM-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM Cc1ccccc1OCCCC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000262277409 961613138 /nfs/dbraw/zinc/61/31/38/961613138.db2.gz UBYLVUZBLWKXMS-UHFFFAOYSA-N -1 0 341.407 3.810 20 0 EHADRM CC(C)c1cccc(O[C@H](C)C(=O)Nc2ccc(CC(=O)[O-])cc2)c1 ZINC000262297133 961627218 /nfs/dbraw/zinc/62/72/18/961627218.db2.gz PBEVROCNROJULY-CQSZACIVSA-N -1 0 341.407 3.843 20 0 EHADRM O=C([O-])CC1CCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000262318390 961640233 /nfs/dbraw/zinc/64/02/33/961640233.db2.gz QDQPWJMQUGMEMT-UHFFFAOYSA-N -1 0 347.411 3.881 20 0 EHADRM CCCCS[C@@H](C)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000262360482 961669542 /nfs/dbraw/zinc/66/95/42/961669542.db2.gz CYWTYAPSFZMENI-LBPRGKRZSA-N -1 0 341.498 3.865 20 0 EHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC001573960682 961683476 /nfs/dbraw/zinc/68/34/76/961683476.db2.gz LWACOEDMADFCHK-ZCNNSNEGSA-N -1 0 349.430 3.563 20 0 EHADRM C[C@@H](c1ccc(C(=O)N(C)C(C)(C)CC(=O)[O-])cc1)C(F)(F)F ZINC001333347639 961692603 /nfs/dbraw/zinc/69/26/03/961692603.db2.gz OXRVSZHRDMIAAR-JTQLQIEISA-N -1 0 331.334 3.678 20 0 EHADRM CCCN(Cc1c(F)cccc1Cl)C(=O)c1cc(C(=O)[O-])co1 ZINC000262395880 961694326 /nfs/dbraw/zinc/69/43/26/961694326.db2.gz SUINDBFSUBFZGV-UHFFFAOYSA-N -1 0 339.750 3.823 20 0 EHADRM O=C([O-])CCCC(=O)N[C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC001334017244 961744972 /nfs/dbraw/zinc/74/49/72/961744972.db2.gz UMNIWXLKOQYJHX-AWEZNQCLSA-N -1 0 334.803 3.570 20 0 EHADRM O=C([O-])CC1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000262503065 961755780 /nfs/dbraw/zinc/75/57/80/961755780.db2.gz YWWLXIVVKOXHAZ-UHFFFAOYSA-N -1 0 337.419 3.532 20 0 EHADRM COc1ccccc1CCC(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000262511864 961756715 /nfs/dbraw/zinc/75/67/15/961756715.db2.gz MHNBQAHPSNCKRB-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM O=C([O-])C1CCC(NC(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC000262523930 961758967 /nfs/dbraw/zinc/75/89/67/961758967.db2.gz OOTPWZIPCCUBTB-UHFFFAOYSA-N -1 0 349.189 3.897 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1)c1ccc(F)cc1 ZINC000262594222 961782710 /nfs/dbraw/zinc/78/27/10/961782710.db2.gz IMNFXZAUHGGTRR-SJCJKPOMSA-N -1 0 347.361 3.791 20 0 EHADRM CC(C)CCO[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000262663606 961798158 /nfs/dbraw/zinc/79/81/58/961798158.db2.gz VAXHXWJRHRXDGB-ZDUSSCGKSA-N -1 0 337.416 3.562 20 0 EHADRM Cn1c2ccccc2c(Cl)c1C(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000262704272 961814326 /nfs/dbraw/zinc/81/43/26/961814326.db2.gz BHNYJAWDBAVYMV-SGTLLEGYSA-N -1 0 348.830 3.595 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)NCc2c(Cl)oc3ccccc32)o1 ZINC001574513677 961826063 /nfs/dbraw/zinc/82/60/63/961826063.db2.gz LLOMHRDJJNPBDA-SOFGYWHQSA-N -1 0 345.738 3.707 20 0 EHADRM CC[C@H]1CN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC[C@@H]1c1ccccc1 ZINC000262721719 961827493 /nfs/dbraw/zinc/82/74/93/961827493.db2.gz PYNXRTDQMPJBHG-WNHJNPCNSA-N -1 0 343.467 3.920 20 0 EHADRM CC(C)[C@H]1N(C(=O)Nc2cccnc2C(=O)[O-])CC12CCCCC2 ZINC001588843127 961836757 /nfs/dbraw/zinc/83/67/57/961836757.db2.gz ZUNYGJFQFFCQKN-OAHLLOKOSA-N -1 0 331.416 3.602 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000262749098 961847332 /nfs/dbraw/zinc/84/73/32/961847332.db2.gz AEBJMGJWPQKMPS-CQSZACIVSA-N -1 0 347.798 3.846 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)c1cccc(-c2ccccc2OCC)c1 ZINC000262804879 961875157 /nfs/dbraw/zinc/87/51/57/961875157.db2.gz SGGUREHGOOYYSJ-UHFFFAOYSA-N -1 0 341.407 3.689 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)C(C)(C)c2ccccc2F)cc1 ZINC000262824868 961890338 /nfs/dbraw/zinc/89/03/38/961890338.db2.gz BAXPDYSGADZEIB-GFCCVEGCSA-N -1 0 329.371 3.930 20 0 EHADRM CCc1nc(C)c(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)s1 ZINC000262828444 961894858 /nfs/dbraw/zinc/89/48/58/961894858.db2.gz QRAVIVHYWQRBRF-JTQLQIEISA-N -1 0 332.425 3.529 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)NCCCCCCC(=O)[O-] ZINC000262829734 961896647 /nfs/dbraw/zinc/89/66/47/961896647.db2.gz XJLHJTQDBDWCES-UHFFFAOYSA-N -1 0 327.808 3.504 20 0 EHADRM C[C@H]1CN(C(=O)c2cc3c(ccc4ccccc34)[nH]2)CC[C@H]1C(=O)[O-] ZINC000262851277 961918255 /nfs/dbraw/zinc/91/82/55/961918255.db2.gz DPZUWKPFNATZSI-GXTWGEPZSA-N -1 0 336.391 3.504 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N1CC[C@H](c2ccccc2)C1(C)C)C(=O)[O-] ZINC001588850616 961924722 /nfs/dbraw/zinc/92/47/22/961924722.db2.gz VJVYXOAXCQMUGN-DLBZAZTESA-N -1 0 346.471 3.711 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N[C@H](C)c1ccc(F)cc1Cl)C(=O)[O-] ZINC001588852913 961951258 /nfs/dbraw/zinc/95/12/58/961951258.db2.gz KEDUZEZCNZQDBI-MNOVXSKESA-N -1 0 344.814 3.586 20 0 EHADRM CC[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1OC)c1ccc(OC)cc1 ZINC000262878497 961951318 /nfs/dbraw/zinc/95/13/18/961951318.db2.gz GTJYUNOCOZUKJR-OAHLLOKOSA-N -1 0 343.379 3.534 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000262881261 961955237 /nfs/dbraw/zinc/95/52/37/961955237.db2.gz XVEIIYWKLQIOII-PIGZYNQJSA-N -1 0 338.473 3.512 20 0 EHADRM C[C@@H](C(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-])c1c(F)cccc1F ZINC000262909615 961988766 /nfs/dbraw/zinc/98/87/66/961988766.db2.gz JMDAEMYYQXYLHY-CHWSQXEVSA-N -1 0 347.361 3.570 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2cc(Cl)ccc2F)c2ccccc21 ZINC001574557390 961998324 /nfs/dbraw/zinc/99/83/24/961998324.db2.gz KABNDMSFDVRXOL-IUODEOHRSA-N -1 0 333.746 3.522 20 0 EHADRM C[C@@H](CC(=O)N1CCC[C@@](C)(C(=O)[O-])C1)Cc1ccc(Cl)cc1 ZINC000262920893 962003215 /nfs/dbraw/zinc/00/32/15/962003215.db2.gz FQANHKARYWJIHI-FZKQIMNGSA-N -1 0 337.847 3.622 20 0 EHADRM O=C([O-])CC1CC(Nc2cccc(C[S@](=O)c3ccccc3)c2)C1 ZINC001339168841 962015624 /nfs/dbraw/zinc/01/56/24/962015624.db2.gz HRQZTWWIBQUEJP-NZPMRTKLSA-N -1 0 343.448 3.660 20 0 EHADRM CC[C@@H](CC1CCCCC1)C(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000262940305 962024044 /nfs/dbraw/zinc/02/40/44/962024044.db2.gz HPWCFXCGDXZSNC-BBRMVZONSA-N -1 0 349.393 3.849 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(Cn3cccc3)cc2)cc1F ZINC001339453601 962025763 /nfs/dbraw/zinc/02/57/63/962025763.db2.gz FWHYVXXYFKJAPT-UHFFFAOYSA-N -1 0 338.338 3.626 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N(C)c1ccc(OCC(=O)[O-])cc1 ZINC000262967664 962053208 /nfs/dbraw/zinc/05/32/08/962053208.db2.gz ILUXNWVUPSBWLR-OAHLLOKOSA-N -1 0 341.407 3.615 20 0 EHADRM C[C@H](C(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1)C(C)(C)C ZINC000262967970 962054868 /nfs/dbraw/zinc/05/48/68/962054868.db2.gz JSNSDQVRVXDRAF-CQSZACIVSA-N -1 0 331.456 3.848 20 0 EHADRM O=C([O-])[C@@H](CC(F)F)NC(=O)CC1CCC(c2ccccc2)CC1 ZINC000262976936 962064757 /nfs/dbraw/zinc/06/47/57/962064757.db2.gz KJSBRNGZLVBOGJ-PESDSKBTSA-N -1 0 339.382 3.575 20 0 EHADRM COc1cc(NC(=O)CC2CC(c3ccccc3)C2)ccc1C(=O)[O-] ZINC000262978393 962067070 /nfs/dbraw/zinc/06/70/70/962067070.db2.gz PCRUKDJSDDUTEG-UHFFFAOYSA-N -1 0 339.391 3.916 20 0 EHADRM CC(C)CN(CCc1ccccc1)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001588871198 962085152 /nfs/dbraw/zinc/08/51/52/962085152.db2.gz OHRCFJZHXDASHK-UHFFFAOYSA-N -1 0 341.411 3.512 20 0 EHADRM C[C@H](NC(=O)C1(C)CCCCCC1)c1ccc(OCC(=O)[O-])cc1 ZINC000263003023 962098758 /nfs/dbraw/zinc/09/87/58/962098758.db2.gz KXNFWHZDCZVUJX-AWEZNQCLSA-N -1 0 333.428 3.688 20 0 EHADRM CC(C)CC[C@H](NC(=O)c1cc(C(=O)[O-])n[nH]1)c1ccc(Cl)cc1 ZINC001588874573 962105396 /nfs/dbraw/zinc/10/53/96/962105396.db2.gz SDXOKSDERBYCKN-ZDUSSCGKSA-N -1 0 349.818 3.669 20 0 EHADRM CN(C(=O)c1ccccc1-c1ccccc1C(=O)[O-])[C@@H]1CCSC1 ZINC000263020508 962127374 /nfs/dbraw/zinc/12/73/74/962127374.db2.gz TXYAGEMZODHGNG-CYBMUJFWSA-N -1 0 341.432 3.629 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)N2CCCCC[C@@H]2/C=C\c2ccccc2)C1 ZINC001574593697 962138680 /nfs/dbraw/zinc/13/86/80/962138680.db2.gz JIQYBTRNOYYWPL-LJBYYNBDSA-N -1 0 342.439 3.517 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc3nc(C(F)F)sc3c2)cn1 ZINC001574602084 962166288 /nfs/dbraw/zinc/16/62/88/962166288.db2.gz PKHDVHUNJWRKIQ-UHFFFAOYSA-N -1 0 349.318 3.579 20 0 EHADRM CC(C)C[C@@H](NC(=O)Nc1ccc(Cl)c2ncccc12)C(=O)[O-] ZINC001588884264 962167317 /nfs/dbraw/zinc/16/73/17/962167317.db2.gz LHBOHGDIFUAWQO-CYBMUJFWSA-N -1 0 335.791 3.509 20 0 EHADRM C[C@H](CNC(=O)CCCCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000263059335 962197797 /nfs/dbraw/zinc/19/77/97/962197797.db2.gz SOCSBKXXMBVTLV-LLVKDONJSA-N -1 0 331.334 3.570 20 0 EHADRM CC(C)C[C@H](CNC(=O)NC[C@@H]1CCCC(C)(C)C1)CC(=O)[O-] ZINC001588892419 962206455 /nfs/dbraw/zinc/20/64/55/962206455.db2.gz LCAPRWQNOQDWGN-CABCVRRESA-N -1 0 326.481 3.639 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N[C@@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000263085014 962230418 /nfs/dbraw/zinc/23/04/18/962230418.db2.gz ZNYYALCOHHABNA-UONOGXRCSA-N -1 0 335.444 3.940 20 0 EHADRM O=C([O-])[C@@H](C(=O)Oc1ccc(F)c(C(F)(F)F)c1)C1CCCC1 ZINC001574622362 962261900 /nfs/dbraw/zinc/26/19/00/962261900.db2.gz ZAWROJBDEXZDNX-LBPRGKRZSA-N -1 0 334.265 3.641 20 0 EHADRM CC(C)Cc1ccc([C@H](NC(=O)NC[C@H](C)C(=O)[O-])C(C)C)cc1 ZINC001588905931 962271532 /nfs/dbraw/zinc/27/15/32/962271532.db2.gz AMBTXTILBRTKDN-WMLDXEAASA-N -1 0 334.460 3.602 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1 ZINC000263134806 962288668 /nfs/dbraw/zinc/28/86/68/962288668.db2.gz GEVGOIDPPDBLHK-UHFFFAOYSA-N -1 0 345.370 3.882 20 0 EHADRM Cc1ccc(C)c(OCCC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c1 ZINC000263176874 962329309 /nfs/dbraw/zinc/32/93/09/962329309.db2.gz GTJYUHOQQHZYLB-HNNXBMFYSA-N -1 0 341.407 3.899 20 0 EHADRM CCSCc1ccc(NC(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000263181420 962337193 /nfs/dbraw/zinc/33/71/93/962337193.db2.gz UGGQINPZNKKFFO-UHFFFAOYSA-N -1 0 336.457 3.705 20 0 EHADRM CCCc1occc1C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000263209615 962366075 /nfs/dbraw/zinc/36/60/75/962366075.db2.gz WLKGMGNPRUEPSC-UHFFFAOYSA-N -1 0 331.368 3.970 20 0 EHADRM CC(C)N(CCc1ccccc1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001588920586 962369955 /nfs/dbraw/zinc/36/99/55/962369955.db2.gz MYMJSOVSIQINFF-UHFFFAOYSA-N -1 0 340.423 3.548 20 0 EHADRM C[C@H](NC(=O)c1ccc(/C=C\C(=O)[O-])o1)c1nc(C(C)(C)C)cs1 ZINC001347048173 962376513 /nfs/dbraw/zinc/37/65/13/962376513.db2.gz CFCLOUISVOEUKL-ZEBCKKTISA-N -1 0 348.424 3.622 20 0 EHADRM CC(C)(C)C1CCC(CC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)CC1 ZINC000263251184 962393831 /nfs/dbraw/zinc/39/38/31/962393831.db2.gz JMGQKCMCHNRWEZ-UYSNPLJNSA-N -1 0 335.488 3.942 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2cc(Cl)ccc2Cl)CCCC1 ZINC001347586695 962409681 /nfs/dbraw/zinc/40/96/81/962409681.db2.gz HYFWHWCYUWOYNJ-UHFFFAOYSA-N -1 0 330.211 3.758 20 0 EHADRM Cn1c(C(=O)[O-])ccc1[C@@H]1CCCCN1C(=O)/C=C\c1cccs1 ZINC001347623892 962422506 /nfs/dbraw/zinc/42/25/06/962422506.db2.gz IEKIRGGVORPEKM-XMELGKRDSA-N -1 0 344.436 3.552 20 0 EHADRM CC[C@@H](NC(=O)CCCCC(=O)[O-])c1ccccc1OC(F)F ZINC000263287745 962426577 /nfs/dbraw/zinc/42/65/77/962426577.db2.gz KYUCZTXUAYQWRZ-GFCCVEGCSA-N -1 0 329.343 3.500 20 0 EHADRM C[C@H](CC(=O)N(C)C(C)(C)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001347929767 962434097 /nfs/dbraw/zinc/43/40/97/962434097.db2.gz ZDFITKNTTYGGMW-LLVKDONJSA-N -1 0 345.361 3.911 20 0 EHADRM O=C([O-])CCCCC(=O)N[C@@H](Cc1ccccc1)c1ccccc1F ZINC000263303355 962444955 /nfs/dbraw/zinc/44/49/55/962444955.db2.gz NVVDAAKXWSNNHP-SFHVURJKSA-N -1 0 343.398 3.871 20 0 EHADRM CC1(C)[C@@H](c2ccccc2)CCN1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263303676 962444974 /nfs/dbraw/zinc/44/49/74/962444974.db2.gz GXCFIYRDYLCARR-OFLPRAFFSA-N -1 0 344.455 3.608 20 0 EHADRM Cc1cc(C)c(CC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c(C)c1 ZINC000263339033 962488467 /nfs/dbraw/zinc/48/84/67/962488467.db2.gz RNFKQBDTSNRQDW-OAHLLOKOSA-N -1 0 325.408 3.981 20 0 EHADRM Cc1oc(CNC(=O)c2cccc(C)c2C(F)(F)F)cc1C(=O)[O-] ZINC001349921032 962489357 /nfs/dbraw/zinc/48/93/57/962489357.db2.gz LHFSTDWJIYUCBX-UHFFFAOYSA-N -1 0 341.285 3.543 20 0 EHADRM Cc1ccc2[nH]c(-c3ccccc3NC(=O)[C@H]3C[C@@H](C(=O)[O-])C3)nc2c1 ZINC001349954580 962506053 /nfs/dbraw/zinc/50/60/53/962506053.db2.gz RVEJUJZKIHHLFO-BETUJISGSA-N -1 0 349.390 3.588 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)N2CCC[C@H]2c2ccc(F)cc2F)co1 ZINC001574666394 962515828 /nfs/dbraw/zinc/51/58/28/962515828.db2.gz YDJIHMMZZAXNQD-NBUZRDOWSA-N -1 0 347.317 3.633 20 0 EHADRM Cc1cc(Br)c(CN2CCC(C(=O)[O-])CC2)cc1Cl ZINC000263401901 962565187 /nfs/dbraw/zinc/56/51/87/962565187.db2.gz IKVBABYXZXGRBW-UHFFFAOYSA-N -1 0 346.652 3.708 20 0 EHADRM C[C@@H]1CCCCN1C(=O)c1ccc(NC2CCC(C(=O)[O-])CC2)cc1 ZINC000263402958 962566041 /nfs/dbraw/zinc/56/60/41/962566041.db2.gz ISOHWOQTNDSPCN-MXWWQKGMSA-N -1 0 344.455 3.757 20 0 EHADRM COc1ccsc1C(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1 ZINC000263408996 962574203 /nfs/dbraw/zinc/57/42/03/962574203.db2.gz LPHKTBORRFWQNX-ZDUSSCGKSA-N -1 0 339.457 3.690 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)Nc2ccc3ccnc(Cl)c3c2)C1 ZINC001574680409 962581574 /nfs/dbraw/zinc/58/15/74/962581574.db2.gz ZYURMBUBTIQWNZ-NSHDSACASA-N -1 0 347.802 3.607 20 0 EHADRM CC(C)c1nc(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)cs1 ZINC001350788979 962589938 /nfs/dbraw/zinc/58/99/38/962589938.db2.gz LVKYQFPYXLABSD-UHFFFAOYSA-N -1 0 337.426 3.551 20 0 EHADRM CC(C)c1cc(C(=O)N([C@H](C)C(=O)[O-])C2CC2)c(O)c(C(C)C)c1 ZINC001588964194 962644414 /nfs/dbraw/zinc/64/44/14/962644414.db2.gz WYRHPJPKHZKXSF-GFCCVEGCSA-N -1 0 333.428 3.717 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)N3CC[C@@](C)(C(=O)[O-])C3)ccc21 ZINC000263468158 962655850 /nfs/dbraw/zinc/65/58/50/962655850.db2.gz GVIAZOTXCKITEW-LJQANCHMSA-N -1 0 343.427 3.626 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2c(C)coc2CC(=O)[O-])o1 ZINC000263472326 962657716 /nfs/dbraw/zinc/65/77/16/962657716.db2.gz YHPHXHLJQHROCC-FZMZJTMJSA-N -1 0 345.395 3.730 20 0 EHADRM CC(C)c1ccc2c(c1)CN(C(=O)c1coc(/C=C/C(=O)[O-])c1)CC2 ZINC001588969427 962663415 /nfs/dbraw/zinc/66/34/15/962663415.db2.gz GOTQGDMFYPBROU-AATRIKPKSA-N -1 0 339.391 3.699 20 0 EHADRM O=C([O-])CCNC(=O)Nc1ccc(Oc2ccccc2)c(Cl)c1 ZINC001574709045 962691963 /nfs/dbraw/zinc/69/19/63/962691963.db2.gz BKMIGVGLUUKGMT-UHFFFAOYSA-N -1 0 334.759 3.729 20 0 EHADRM CC(C)c1sc(NC(=O)CC2(C(F)(F)F)CC2)nc1C(=O)[O-] ZINC001354063032 962712052 /nfs/dbraw/zinc/71/20/52/962712052.db2.gz NKSUYQMWOHVVPK-UHFFFAOYSA-N -1 0 336.335 3.636 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)c(F)c1 ZINC000263531822 962712358 /nfs/dbraw/zinc/71/23/58/962712358.db2.gz MUJCHJIGEYPPPS-DOMZBBRYSA-N -1 0 345.345 3.729 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)s1 ZINC000263537994 962716945 /nfs/dbraw/zinc/71/69/45/962716945.db2.gz PKFNIGLXBHRHOV-RRFJBIMHSA-N -1 0 341.432 3.855 20 0 EHADRM CCOc1ccccc1[C@H](CC)NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000263544026 962719725 /nfs/dbraw/zinc/71/97/25/962719725.db2.gz SFQSOARTVQMSFO-YCPHGPKFSA-N -1 0 333.428 3.544 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N[C@H]2CCCc3sccc32)cc1 ZINC000263548369 962720967 /nfs/dbraw/zinc/72/09/67/962720967.db2.gz VDOGDXKYFINVHI-HNNXBMFYSA-N -1 0 329.421 3.573 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)C2(Cc3ccccc3F)CC2)cc1 ZINC000263550287 962724153 /nfs/dbraw/zinc/72/41/53/962724153.db2.gz WCJISPPBQZODMO-UHFFFAOYSA-N -1 0 341.382 3.804 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000263550569 962724255 /nfs/dbraw/zinc/72/42/55/962724255.db2.gz WEDBGUXTDGRRRH-CZUORRHYSA-N -1 0 345.826 3.503 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CCCCc1cccc(O)c1 ZINC001517260634 962763303 /nfs/dbraw/zinc/76/33/03/962763303.db2.gz VKFOEYANINPQSA-UHFFFAOYSA-N -1 0 327.380 3.750 20 0 EHADRM Cn1c(C(=O)[O-])ccc1[C@@H]1CCCCN1C(=O)C[C@H]1CC=CCC1 ZINC001517448286 962805338 /nfs/dbraw/zinc/80/53/38/962805338.db2.gz OHLJVXZPRCMRFM-HOCLYGCPSA-N -1 0 330.428 3.523 20 0 EHADRM C[C@@H](CC(=O)Nc1sc2c(c1C(=O)[O-])CCOC2)c1ccccc1 ZINC001588994347 962829005 /nfs/dbraw/zinc/82/90/05/962829005.db2.gz PQNPTSQXZYZFJY-NSHDSACASA-N -1 0 345.420 3.651 20 0 EHADRM COCC[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])s2)c2ccccc21 ZINC001520204833 962851257 /nfs/dbraw/zinc/85/12/57/962851257.db2.gz FKADRDRLPJJUQJ-GFCCVEGCSA-N -1 0 345.420 3.617 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1cc(Cl)cc(Br)c1 ZINC000308297764 963265823 /nfs/dbraw/zinc/26/58/23/963265823.db2.gz GZPNCTHWXSZWRZ-UHFFFAOYSA-N -1 0 348.624 3.932 20 0 EHADRM C[C@H](N[C@@H](C)c1ccccc1OC(F)F)c1ncc(C(=O)[O-])s1 ZINC000314734327 963799186 /nfs/dbraw/zinc/79/91/86/963799186.db2.gz BBYPBUDHHWYWFB-IUCAKERBSA-N -1 0 342.367 3.855 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1 ZINC000315944702 963957467 /nfs/dbraw/zinc/95/74/67/963957467.db2.gz ZFGMHLBGGIYQIK-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1cc(Cl)nc(Cl)c1 ZINC000013432506 967496494 /nfs/dbraw/zinc/49/64/94/967496494.db2.gz LWPQSOIBJBYNSY-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)COc1ccc(Cl)cc1C ZINC000013432693 967497421 /nfs/dbraw/zinc/49/74/21/967497421.db2.gz CFWWFYLFRFDJGH-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(Cc2cc(Br)ccc2F)C1 ZINC000043585430 967526416 /nfs/dbraw/zinc/52/64/16/967526416.db2.gz OWZGTNRQQZZSHK-LLVKDONJSA-N -1 0 344.224 3.665 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc3c(s2)CCCCCC3)CC[C@@H]1C(=O)[O-] ZINC000261843502 967806552 /nfs/dbraw/zinc/80/65/52/967806552.db2.gz IXQIJYQOBCGYKM-OCCSQVGLSA-N -1 0 335.469 3.590 20 0 EHADRM C[C@@H](C1CC1)n1nccc1NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000262998260 967835050 /nfs/dbraw/zinc/83/50/50/967835050.db2.gz FRWCGFVDKRSRGV-LBPRGKRZSA-N -1 0 342.399 3.515 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccccc2Oc2ccccc2)C1 ZINC000263307989 967868713 /nfs/dbraw/zinc/86/87/13/967868713.db2.gz HOCKUNOVPFIGBD-CABCVRRESA-N -1 0 339.391 3.662 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000263357798 967879161 /nfs/dbraw/zinc/87/91/61/967879161.db2.gz XNQMWGBXQMTEMB-ZMSDIMECSA-N -1 0 333.403 3.674 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000263385004 967884025 /nfs/dbraw/zinc/88/40/25/967884025.db2.gz POPJFRUISCWITP-KDOFPFPSSA-N -1 0 338.407 3.678 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000263390758 967885399 /nfs/dbraw/zinc/88/53/99/967885399.db2.gz YPZXKJZLJUOAPI-SCZZXKLOSA-N -1 0 349.736 3.542 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCC[C@H](C(C)C)CC1)CC(=O)[O-] ZINC000321345954 968013198 /nfs/dbraw/zinc/01/31/98/968013198.db2.gz BGIAEWWSNRWAHP-HOTGVXAUSA-N -1 0 326.481 3.591 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc3ccccc3c(Cl)n2)ccc1O ZINC000326061254 968042619 /nfs/dbraw/zinc/04/26/19/968042619.db2.gz JSNGMTSLVSJKOY-UHFFFAOYSA-N -1 0 342.738 3.544 20 0 EHADRM Cc1ccc(CC(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)s1 ZINC000370704224 968060801 /nfs/dbraw/zinc/06/08/01/968060801.db2.gz XSVWMIDZECXBPV-UHFFFAOYSA-N -1 0 343.448 3.703 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ccsc2Br)C1 ZINC000388746229 968157982 /nfs/dbraw/zinc/15/79/82/968157982.db2.gz MCLVVJYXXVSRLN-CYBMUJFWSA-N -1 0 332.263 3.587 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)CCc1nc2ccccc2s1)C(=O)[O-] ZINC000449135756 968377023 /nfs/dbraw/zinc/37/70/23/968377023.db2.gz RIWZELDXGVMPPF-CYBMUJFWSA-N -1 0 348.468 3.625 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2cccc(Cl)c2Cl)C[C@H]1C(=O)[O-] ZINC000577512678 968463482 /nfs/dbraw/zinc/46/34/82/968463482.db2.gz FAFUDDHKASHKMU-DTWKUNHWSA-N -1 0 331.199 3.568 20 0 EHADRM Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)[C@H](C(=O)[O-])C(C)C ZINC000578656497 968466645 /nfs/dbraw/zinc/46/66/45/968466645.db2.gz YZYCQTWKRSYZNA-BXUZGUMPSA-N -1 0 346.452 3.653 20 0 EHADRM CCSCc1ccc(NC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC000600964910 968506977 /nfs/dbraw/zinc/50/69/77/968506977.db2.gz HNWPKFBUJFDNSE-WFASDCNBSA-N -1 0 336.457 3.514 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000653288121 968639353 /nfs/dbraw/zinc/63/93/53/968639353.db2.gz LAJSQBXBVDSTSE-ZDUSSCGKSA-N -1 0 339.819 3.561 20 0 EHADRM CC[C@@H](C(=O)NC[C@H](C(=O)[O-])C(C)C)c1cccc(C(F)(F)F)c1 ZINC000655573650 968683181 /nfs/dbraw/zinc/68/31/81/968683181.db2.gz YAOPVBZQSFDNKX-KGLIPLIRSA-N -1 0 345.361 3.672 20 0 EHADRM C[C@H](NC(=O)Cc1ccc2ccccc2c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655583394 968687898 /nfs/dbraw/zinc/68/78/98/968687898.db2.gz HCEBCFNWONQFRH-DOPJRALCSA-N -1 0 339.435 3.634 20 0 EHADRM C[C@H](NC(=O)N1CC=C(C(C)(C)C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655902162 968711548 /nfs/dbraw/zinc/71/15/48/968711548.db2.gz NWBVPQKGHMTUBO-AEGPPILISA-N -1 0 336.476 3.510 20 0 EHADRM CCN(C(=O)c1cc(SC)c(Cl)cc1Cl)[C@@H](C)C(=O)[O-] ZINC000659772721 968748644 /nfs/dbraw/zinc/74/86/44/968748644.db2.gz ZRMGIDAMZWHJRY-ZETCQYMHSA-N -1 0 336.240 3.651 20 0 EHADRM C[C@@H](NC(=O)C1(C(=O)[O-])CC=CC1)c1cccc(Cl)c1Cl ZINC000663035442 968765738 /nfs/dbraw/zinc/76/57/38/968765738.db2.gz GWVRSCUPHFWWJG-SECBINFHSA-N -1 0 328.195 3.592 20 0 EHADRM O=C([O-])C1(C(=O)Nc2nc(-c3ccccc3Cl)cs2)CCC1 ZINC000663076142 968788007 /nfs/dbraw/zinc/78/80/07/968788007.db2.gz NOQNCXDHENEICT-UHFFFAOYSA-N -1 0 336.800 3.657 20 0 EHADRM CC(C)c1ccc(SCC(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000676215206 968860106 /nfs/dbraw/zinc/86/01/06/968860106.db2.gz KSHUXSRVYHVGSH-CQSZACIVSA-N -1 0 335.469 3.615 20 0 EHADRM C/C(=C\C(=O)N1CCC[C@@]1(C)C(=O)[O-])c1ccccc1C(F)(F)F ZINC000823338257 969203704 /nfs/dbraw/zinc/20/37/04/969203704.db2.gz IPJCKJLMHQVPMF-OFAQMXQXSA-N -1 0 341.329 3.574 20 0 EHADRM Cc1ccc([C@@H](NC(=O)c2coc(/C=C\C(=O)[O-])c2)C2CC2)cc1 ZINC000901584308 969442835 /nfs/dbraw/zinc/44/28/35/969442835.db2.gz FCQGLQUNLKNTKH-CNZFZVQHSA-N -1 0 325.364 3.567 20 0 EHADRM Cc1ccccc1C[C@H]1CCCN1C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC000901836950 969481971 /nfs/dbraw/zinc/48/19/71/969481971.db2.gz UWNXCFSGFPRDON-XZVRFQMRSA-N -1 0 339.391 3.533 20 0 EHADRM Cc1nc2ccccc2c(C)c1C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000902058603 969512965 /nfs/dbraw/zinc/51/29/65/969512965.db2.gz NMWAOSDWSAFDOO-UHFFFAOYSA-N -1 0 340.423 3.569 20 0 EHADRM O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)c2ccc(Cl)o2)C1 ZINC000902827776 969571424 /nfs/dbraw/zinc/57/14/24/969571424.db2.gz PCWBWNTVQMFJAE-LLVKDONJSA-N -1 0 333.771 3.617 20 0 EHADRM CC(C)c1ccc2occ(C(=O)N3CC[C@H](C(=O)[O-])[C@H](C)C3)c2c1 ZINC000909988530 969630041 /nfs/dbraw/zinc/63/00/41/969630041.db2.gz OOUJJYOKICEVAY-OCCSQVGLSA-N -1 0 329.396 3.739 20 0 EHADRM COc1ccc2cc(C(=O)N3CCCC[C@@H]3CCC(=O)[O-])ccc2c1 ZINC001324646321 969700791 /nfs/dbraw/zinc/70/07/91/969700791.db2.gz KLHHNWZENKGVIX-QGZVFWFLSA-N -1 0 341.407 3.708 20 0 EHADRM Cc1ccc(NC(=O)N2CCC(C(=O)[O-])CC2)c(Cl)c1Cl ZINC001345143419 969760634 /nfs/dbraw/zinc/76/06/34/969760634.db2.gz VTSAGDKNPATFRJ-UHFFFAOYSA-N -1 0 331.199 3.630 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc(F)c(Cl)cc2F)ccc1F ZINC000317150736 970332379 /nfs/dbraw/zinc/33/23/79/970332379.db2.gz WUONQAMEIGLMQM-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM Nc1c(Cl)cc(C(=O)Nc2cc(C(=O)[O-])ccc2F)cc1Cl ZINC000317149640 970332855 /nfs/dbraw/zinc/33/28/55/970332855.db2.gz WRNOGKBHNNCXDM-UHFFFAOYSA-N -1 0 343.141 3.665 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1F ZINC000317223978 970339511 /nfs/dbraw/zinc/33/95/11/970339511.db2.gz HVVPZZVNQGZKFR-UHFFFAOYSA-N -1 0 347.104 3.617 20 0 EHADRM Cc1ccc(F)c(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])c1F ZINC000317662278 970378031 /nfs/dbraw/zinc/37/80/31/970378031.db2.gz FDQMVJZNQQUKNI-UHFFFAOYSA-N -1 0 325.698 3.877 20 0 EHADRM C[C@H](C(=O)[O-])c1noc(-c2cccc(OCc3cccs3)c2)n1 ZINC001609718476 970499047 /nfs/dbraw/zinc/49/90/47/970499047.db2.gz TVLYBPHDOXVYGT-JTQLQIEISA-N -1 0 330.365 3.565 20 0 EHADRM O=C([O-])c1cccc(OCCOc2cccc(C(F)(F)F)c2)c1 ZINC000319819697 970576085 /nfs/dbraw/zinc/57/60/85/970576085.db2.gz LRIPDLSJHAOSAG-UHFFFAOYSA-N -1 0 326.270 3.861 20 0 EHADRM C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000319905912 970588289 /nfs/dbraw/zinc/58/82/89/970588289.db2.gz CMDCPKIRJFNAOE-SECBINFHSA-N -1 0 337.734 3.583 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)NC3(C(=O)[O-])CCCCCC3)cc2C1 ZINC000320021334 970603610 /nfs/dbraw/zinc/60/36/10/970603610.db2.gz OLOVGACRAYCQPN-GFCCVEGCSA-N -1 0 335.469 3.780 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)CSc1ccc(Cl)cc1 ZINC000320058271 970607832 /nfs/dbraw/zinc/60/78/32/970607832.db2.gz SHSYYUKUWWRJQZ-UHFFFAOYSA-N -1 0 347.823 3.720 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000320253986 970638516 /nfs/dbraw/zinc/63/85/16/970638516.db2.gz WRZKAQNKGXBOCE-UHFFFAOYSA-N -1 0 325.698 3.877 20 0 EHADRM CCN(C(=O)COc1ccc(C(=O)[O-])cc1Cl)C1CCCCC1 ZINC000320309450 970647191 /nfs/dbraw/zinc/64/71/91/970647191.db2.gz CMIFMWSARWXLAQ-UHFFFAOYSA-N -1 0 339.819 3.598 20 0 EHADRM O=C([O-])c1cccnc1SCc1noc(-c2ccc(Cl)cc2)n1 ZINC000320542992 970676346 /nfs/dbraw/zinc/67/63/46/970676346.db2.gz BYCLODVYNHPQTM-UHFFFAOYSA-N -1 0 347.783 3.776 20 0 EHADRM C[C@H](NCc1ncc(C(=O)[O-])s1)c1cccc(C(F)(F)F)c1 ZINC000320631608 970687377 /nfs/dbraw/zinc/68/73/77/970687377.db2.gz GGYISEZFONGBQF-QMMMGPOBSA-N -1 0 330.331 3.711 20 0 EHADRM Cc1cc(COc2cc(C)c([N+](=O)[O-])cc2Cl)oc1C(=O)[O-] ZINC000320689637 970699522 /nfs/dbraw/zinc/69/95/22/970699522.db2.gz QCWSVSWQIJYSGX-UHFFFAOYSA-N -1 0 325.704 3.735 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2c(s1)CCCCC2)C1CCCCC1 ZINC000320695015 970701325 /nfs/dbraw/zinc/70/13/25/970701325.db2.gz CSAONOAELQRJJY-MRXNPFEDSA-N -1 0 335.469 3.780 20 0 EHADRM CCCN(C[C@@H]1CCCCO1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001610251617 970706966 /nfs/dbraw/zinc/70/69/66/970706966.db2.gz PNVNGNFAUNOVSC-KRWDZBQOSA-N -1 0 348.443 3.517 20 0 EHADRM Cc1ccccc1OCCC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000321208353 970752970 /nfs/dbraw/zinc/75/29/70/970752970.db2.gz YYEXIBXWJIGTIJ-UHFFFAOYSA-N -1 0 333.771 3.754 20 0 EHADRM Cc1ccc(NC(=O)NCCCCCC(=O)[O-])cc1C(F)(F)F ZINC000321327207 970761493 /nfs/dbraw/zinc/76/14/93/970761493.db2.gz OWRRJRZVNBSDDU-UHFFFAOYSA-N -1 0 332.322 3.780 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)N[C@@H]2CCCCC23CCCC3)CC1 ZINC000392849427 972534583 /nfs/dbraw/zinc/53/45/83/972534583.db2.gz PVBOVRXTWHWHNZ-MRXNPFEDSA-N -1 0 336.476 3.776 20 0 EHADRM CN(CCC(=O)[O-])C(=O)Nc1cc(F)ccc1Oc1ccccc1 ZINC001604143507 972552819 /nfs/dbraw/zinc/55/28/19/972552819.db2.gz NXVVPTUAHVMTAW-UHFFFAOYSA-N -1 0 332.331 3.556 20 0 EHADRM Cc1cccc(OCCC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)c1C ZINC000393091976 972561961 /nfs/dbraw/zinc/56/19/61/972561961.db2.gz STFKWPBROZOUQG-UHFFFAOYSA-N -1 0 349.333 3.687 20 0 EHADRM CSc1cccc(F)c1C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001604971716 972564480 /nfs/dbraw/zinc/56/44/80/972564480.db2.gz KWUDQUDFNQJYJG-LLVKDONJSA-N -1 0 327.421 3.557 20 0 EHADRM COc1cc(NC(=O)c2ccc3ccccc3c2O)ccc1C(=O)[O-] ZINC000393228046 972573652 /nfs/dbraw/zinc/57/36/52/972573652.db2.gz VGWAPPHSLRJMFF-UHFFFAOYSA-N -1 0 337.331 3.505 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)CCc2ccc(Cl)cc2Cl)C1 ZINC000393394065 972592782 /nfs/dbraw/zinc/59/27/82/972592782.db2.gz CVRIUJOANXFDII-MFKMUULPSA-N -1 0 344.238 3.686 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC001605851397 972594871 /nfs/dbraw/zinc/59/48/71/972594871.db2.gz FOALYWPXYXMWGT-CYBMUJFWSA-N -1 0 326.352 3.533 20 0 EHADRM CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)[C@@H](C(=O)[O-])C1CC1 ZINC001604187074 972612913 /nfs/dbraw/zinc/61/29/13/972612913.db2.gz DIQNAFCZXYDDRL-INIZCTEOSA-N -1 0 347.798 3.669 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)Nc2cncc(C(=O)[O-])c2)c2ccccc21 ZINC001603328448 972679454 /nfs/dbraw/zinc/67/94/54/972679454.db2.gz YKIZDTIJQVXXMS-MRXNPFEDSA-N -1 0 339.395 3.714 20 0 EHADRM CC1(C)CN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)[C@@H]1c1ccccc1 ZINC001603329333 972692216 /nfs/dbraw/zinc/69/22/16/972692216.db2.gz JIRJZQYOOXITLJ-QXLXQBSBSA-N -1 0 325.364 3.601 20 0 EHADRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2Br)oc1C ZINC001605126914 972788113 /nfs/dbraw/zinc/78/81/13/972788113.db2.gz UDTYSWBYLGODMY-UHFFFAOYSA-N -1 0 338.157 3.609 20 0 EHADRM C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001603354508 972791250 /nfs/dbraw/zinc/79/12/50/972791250.db2.gz JBZUBRBZIWFQBX-GXFFZTMASA-N -1 0 344.333 3.508 20 0 EHADRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)Nc1cccc(C(F)F)c1 ZINC000395390783 972795463 /nfs/dbraw/zinc/79/54/63/972795463.db2.gz WKQFFEOAHWUHOM-OLZOCXBDSA-N -1 0 326.343 3.779 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2ccc3ccccc3c2O)cc1 ZINC000396352193 972861887 /nfs/dbraw/zinc/86/18/87/972861887.db2.gz AXGDQTRQHUPRAK-GFCCVEGCSA-N -1 0 335.359 3.986 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000396395664 972874929 /nfs/dbraw/zinc/87/49/29/972874929.db2.gz UKMFSHFGMPISPC-MRVPVSSYSA-N -1 0 339.178 3.829 20 0 EHADRM COc1ccc(/C=C\C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cc1 ZINC000396439522 972887432 /nfs/dbraw/zinc/88/74/32/972887432.db2.gz NBMQFDSJDYKFFK-XLVZXTRVSA-N -1 0 325.364 3.535 20 0 EHADRM CCCN(CC(F)(F)F)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000396441975 972888779 /nfs/dbraw/zinc/88/87/79/972888779.db2.gz OEYDUFZXYBUJFF-SNVBAGLBSA-N -1 0 332.322 3.681 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000396470587 972898401 /nfs/dbraw/zinc/89/84/01/972898401.db2.gz YAYOPTMMUIPZAX-GFCCVEGCSA-N -1 0 346.814 3.892 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2sccc2-n2cccc2)cc1 ZINC000396541154 972914874 /nfs/dbraw/zinc/91/48/74/972914874.db2.gz ZRVMVNPLVGLGEA-LBPRGKRZSA-N -1 0 340.404 3.979 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 ZINC000396607825 972921792 /nfs/dbraw/zinc/92/17/92/972921792.db2.gz GBKMFOKZTQUWKW-NSHDSACASA-N -1 0 333.771 3.546 20 0 EHADRM Cc1cc(NC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc(C(F)(F)F)c1 ZINC001605201123 972930001 /nfs/dbraw/zinc/93/00/01/972930001.db2.gz ZVRIKQWFMJMMTQ-QWRGUYRKSA-N -1 0 344.333 3.731 20 0 EHADRM O=C([O-])C1(c2noc(C3(c4ccccc4F)CCCC3)n2)CCC1 ZINC001605963581 972939080 /nfs/dbraw/zinc/93/90/80/972939080.db2.gz FSXJAXGIJKHBCJ-UHFFFAOYSA-N -1 0 330.359 3.575 20 0 EHADRM Cc1cc2cc[nH]c2cc1NC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001605233226 972989201 /nfs/dbraw/zinc/98/92/01/972989201.db2.gz QDZABJMTLXHQHQ-MRXNPFEDSA-N -1 0 349.390 3.692 20 0 EHADRM Cc1nc(-c2ccc(C)cc2)sc1C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001605237600 972991265 /nfs/dbraw/zinc/99/12/65/972991265.db2.gz FBIIILYDUNJZSE-AWEZNQCLSA-N -1 0 346.452 3.656 20 0 EHADRM Cc1sc(NC(=O)[C@@H](C(=O)[O-])C(C)C)nc1-c1ccc(C)cc1 ZINC001605237696 972992975 /nfs/dbraw/zinc/99/29/75/972992975.db2.gz JEOZIPVVMAUNMI-ZDUSSCGKSA-N -1 0 332.425 3.722 20 0 EHADRM Cc1cccc([C@H](NC(=O)[C@H](C)SCc2ccccc2)C(=O)[O-])c1 ZINC001605328100 973178050 /nfs/dbraw/zinc/17/80/50/973178050.db2.gz JYHPCRAZBOFPMX-YOEHRIQHSA-N -1 0 343.448 3.559 20 0 EHADRM Cc1cccc([C@@H](NC(=O)Nc2cccc(OC(C)C)c2)C(=O)[O-])c1 ZINC001605329199 973194298 /nfs/dbraw/zinc/19/42/98/973194298.db2.gz VIRVCQXVNQSHLC-QGZVFWFLSA-N -1 0 342.395 3.730 20 0 EHADRM C[C@@H]1CCc2c(sc(NC(=O)/C=C/c3cccnc3)c2C(=O)[O-])C1 ZINC001603434014 973195977 /nfs/dbraw/zinc/19/59/77/973195977.db2.gz LUYZMGRHZIJYAH-OKPNEXGHSA-N -1 0 342.420 3.618 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)NCCc2ccc3ccccc3c2)co1 ZINC001606064245 973199429 /nfs/dbraw/zinc/19/94/29/973199429.db2.gz YBSCWTOSNLDEHX-BQYQJAHWSA-N -1 0 335.359 3.503 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cc(C)c(C)s2)c2cccnc12 ZINC000538010618 1032081294 /nfs/dbraw/zinc/08/12/94/1032081294.db2.gz INEPJRMSZDSVKK-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM C[C@H]1CN(C(=O)CCCCc2ccc(Cl)cc2)CC[C@H]1C(=O)[O-] ZINC001603439573 973217714 /nfs/dbraw/zinc/21/77/14/973217714.db2.gz LZPVMTQPMSJERD-XJKSGUPXSA-N -1 0 337.847 3.622 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)c1cc(SC)ccc1Cl)C(=O)[O-] ZINC000400419630 973276092 /nfs/dbraw/zinc/27/60/92/973276092.db2.gz BRVSRMZEEHVZPP-ZANVPECISA-N -1 0 329.849 3.681 20 0 EHADRM Cc1ccnc(Oc2cc(NC(=O)[C@H]3CC[C@H]3C(=O)[O-])ccc2C)c1 ZINC001605365213 973297809 /nfs/dbraw/zinc/29/78/09/973297809.db2.gz HCGXYLFJCKPMLB-LSDHHAIUSA-N -1 0 340.379 3.540 20 0 EHADRM C[C@H]1Cc2c(C(=O)[O-])c(NC(=O)c3ccccc3)sc2[C@H](C)O1 ZINC001603474263 973354595 /nfs/dbraw/zinc/35/45/95/973354595.db2.gz AXIRVAGZKNGLOE-UWVGGRQHSA-N -1 0 331.393 3.721 20 0 EHADRM O=C([O-])CC[C@H]1Cc2ccccc2N(CCCC2CCOCC2)C1 ZINC001606135637 973381159 /nfs/dbraw/zinc/38/11/59/973381159.db2.gz JGGVNWXVCJGMAJ-KRWDZBQOSA-N -1 0 331.456 3.737 20 0 EHADRM CCC(CC)(CNC(=O)N1CCC[C@@H](Cc2ccccc2)C1)C(=O)[O-] ZINC001603533911 973584352 /nfs/dbraw/zinc/58/43/52/973584352.db2.gz MCOCNCCASKKVSU-KRWDZBQOSA-N -1 0 346.471 3.542 20 0 EHADRM CC[C@H](CC(F)(F)F)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000402521523 973616650 /nfs/dbraw/zinc/61/66/50/973616650.db2.gz OOPAPCGLLLTGNY-YPMHNXCESA-N -1 0 331.334 3.687 20 0 EHADRM CC[C@H](CC(F)(F)F)C(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC000402537781 973621491 /nfs/dbraw/zinc/62/14/91/973621491.db2.gz YVGCUPYLLKPVCN-SNVBAGLBSA-N -1 0 329.318 3.643 20 0 EHADRM CC[C@@H](CNC(=O)Nc1nc(C2CCCCC2)c(C)s1)C(=O)[O-] ZINC001603567041 973695125 /nfs/dbraw/zinc/69/51/25/973695125.db2.gz LCAUOYJNXYVBHH-NSHDSACASA-N -1 0 339.461 3.732 20 0 EHADRM COCc1ccsc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001604648752 973781882 /nfs/dbraw/zinc/78/18/82/973781882.db2.gz QIQFORGWGYVNPN-UHFFFAOYSA-N -1 0 343.763 3.638 20 0 EHADRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)CCSc1ccccc1Cl ZINC000405275767 973811759 /nfs/dbraw/zinc/81/17/59/973811759.db2.gz XNPAYAAQRMTQJG-WCQYABFASA-N -1 0 341.860 3.582 20 0 EHADRM Cc1c(C(=O)Nc2cc(F)cc(Cl)c2[O-])oc2c1C(=O)CCC2 ZINC000274503459 1014145008 /nfs/dbraw/zinc/14/50/08/1014145008.db2.gz ACSTXUBTWFFDMS-UHFFFAOYSA-N -1 0 337.734 3.857 20 0 EHADRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)c1cc(F)c(Cl)cc1Cl ZINC000405440667 973879797 /nfs/dbraw/zinc/87/97/97/973879797.db2.gz LBYFHIFULWZESW-JVXZTZIISA-N -1 0 334.174 3.506 20 0 EHADRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(Cl)cc1Cl ZINC000405535844 973895597 /nfs/dbraw/zinc/89/55/97/973895597.db2.gz OUYQFYYQCJULMP-GZMMTYOYSA-N -1 0 331.199 3.758 20 0 EHADRM CC[C@H]1CCCc2sc(NC(=O)NC(C)(C)CCC(=O)[O-])nc21 ZINC001603619923 973919413 /nfs/dbraw/zinc/91/94/13/973919413.db2.gz OUNINUCKGGCRMS-JTQLQIEISA-N -1 0 339.461 3.738 20 0 EHADRM CC[C@H]1CCc2c(sc(NC(=O)CCOC(C)C)c2C(=O)[O-])C1 ZINC001603625196 973935050 /nfs/dbraw/zinc/93/50/50/973935050.db2.gz VXHLPRYONGFVDY-NSHDSACASA-N -1 0 339.457 3.715 20 0 EHADRM C[C@@H](NC(=O)NCCCCCC(=O)[O-])c1ccccc1C(F)(F)F ZINC000414595486 973941120 /nfs/dbraw/zinc/94/11/20/973941120.db2.gz AXNNAYXITHWAID-LLVKDONJSA-N -1 0 346.349 3.711 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCc2ccc(-c3ccco3)cc2F)cc1 ZINC001606478809 973958540 /nfs/dbraw/zinc/95/85/40/973958540.db2.gz OXJRPOOKJZXTRN-UHFFFAOYSA-N -1 0 339.322 3.714 20 0 EHADRM CCC[C@@H](CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)OCC ZINC001603633558 973961773 /nfs/dbraw/zinc/96/17/73/973961773.db2.gz HBPAENANJYGNTH-VIFPVBQESA-N -1 0 346.786 3.504 20 0 EHADRM O=C([O-])c1ccc(CNCc2cnc(C3CCC3)s2)nc1C1CC1 ZINC000417705153 973966790 /nfs/dbraw/zinc/96/67/90/973966790.db2.gz NDSCVPVJRNFKLA-UHFFFAOYSA-N -1 0 343.452 3.671 20 0 EHADRM CCCC1CCC(NC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)CC1 ZINC001603635322 973968374 /nfs/dbraw/zinc/96/83/74/973968374.db2.gz BKSAWHXQPLOQQY-LAGYLCCXSA-N -1 0 346.471 3.687 20 0 EHADRM CCC[C@@H]1CCc2nc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)sc2C1 ZINC001603636071 973972482 /nfs/dbraw/zinc/97/24/82/973972482.db2.gz NPIYHIAPZRKHBR-MFKMUULPSA-N -1 0 338.473 3.734 20 0 EHADRM COc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001604775060 974006037 /nfs/dbraw/zinc/00/60/37/974006037.db2.gz VAIQJEUOBGDSPZ-JZXOWHBKSA-N -1 0 345.439 3.640 20 0 EHADRM CC(C)(CCNC(=O)Nc1cc(Cl)c(Cl)cc1F)C(=O)[O-] ZINC000424391083 974025795 /nfs/dbraw/zinc/02/57/95/974025795.db2.gz PFOUXZFSFOOLCF-UHFFFAOYSA-N -1 0 337.178 3.755 20 0 EHADRM CC(C)(CCNC(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1)C(=O)[O-] ZINC000424403208 974029638 /nfs/dbraw/zinc/02/96/38/974029638.db2.gz IYYRCCBPGNTPJW-INIZCTEOSA-N -1 0 344.455 3.814 20 0 EHADRM CC(C)Oc1ccc(NC(=O)NCCC(C)(C)C(=O)[O-])cc1Cl ZINC000424471468 974038534 /nfs/dbraw/zinc/03/85/34/974038534.db2.gz NDRAEFMETOOTIB-UHFFFAOYSA-N -1 0 342.823 3.750 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CCC[C@H](F)C1)c1ccc(Cl)cc1 ZINC000425238796 974039227 /nfs/dbraw/zinc/03/92/27/974039227.db2.gz JSTWLCLLQVIXSE-XBFCOCLRSA-N -1 0 327.783 3.500 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2CCCC[C@@H]2C)cc1 ZINC000425245583 974040560 /nfs/dbraw/zinc/04/05/60/974040560.db2.gz USDSHYMMFJSRSE-MAZHCROVSA-N -1 0 335.469 3.867 20 0 EHADRM O=C([O-])[C@H](NCc1cnc(-c2ccccc2)s1)c1cccs1 ZINC000426805977 974049208 /nfs/dbraw/zinc/04/92/08/974049208.db2.gz HOGLORJIDNDTPK-CQSZACIVSA-N -1 0 330.434 3.787 20 0 EHADRM COCc1cc(NC(=O)c2cc3ccc(C)cc3[nH]2)cc(C(=O)[O-])c1 ZINC000427675188 974054010 /nfs/dbraw/zinc/05/40/10/974054010.db2.gz VYETWVGKKCVLKJ-UHFFFAOYSA-N -1 0 338.363 3.573 20 0 EHADRM COCc1cc(NC(=O)c2ccc(Cl)cc2F)cc(C(=O)[O-])c1 ZINC000427668257 974054163 /nfs/dbraw/zinc/05/41/63/974054163.db2.gz LGSSPZSWGHMFIN-UHFFFAOYSA-N -1 0 337.734 3.576 20 0 EHADRM O=C([O-])CN(CCc1ccccc1)C(=O)c1ccc2ccccc2c1 ZINC000427732432 974057693 /nfs/dbraw/zinc/05/76/93/974057693.db2.gz WTECVFZBRHATAD-UHFFFAOYSA-N -1 0 333.387 3.609 20 0 EHADRM O=C(/C=C\c1ccc(C(=O)[O-])o1)NCCc1cccc2ccccc21 ZINC001605660765 974063146 /nfs/dbraw/zinc/06/31/46/974063146.db2.gz ZRPIJANEDYFOIB-LUAWRHEFSA-N -1 0 335.359 3.503 20 0 EHADRM Cc1cc(Cl)c(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1C ZINC000431443579 974063798 /nfs/dbraw/zinc/06/37/98/974063798.db2.gz FMGUTZWTMKALPU-QGZVFWFLSA-N -1 0 343.810 3.609 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1cccc(-c2ccoc2)c1)c1ccccc1 ZINC000431524528 974067485 /nfs/dbraw/zinc/06/74/85/974067485.db2.gz PNCRASWQOXPNBC-SFHVURJKSA-N -1 0 335.359 3.545 20 0 EHADRM COc1ccc2cccc(CC(=O)Nc3cccc(CC(=O)[O-])c3)c2c1 ZINC000431792774 974074958 /nfs/dbraw/zinc/07/49/58/974074958.db2.gz XCFJGTYMFRCTOC-UHFFFAOYSA-N -1 0 349.386 3.657 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000431805841 974076012 /nfs/dbraw/zinc/07/60/12/974076012.db2.gz XEOLEFMYVKVABU-SNVBAGLBSA-N -1 0 335.762 3.995 20 0 EHADRM C[C@]1(NC(=O)CSc2ccc(Cl)cc2)CCCC[C@@H]1C(=O)[O-] ZINC000431887203 974078519 /nfs/dbraw/zinc/07/85/19/974078519.db2.gz KVFXKHJTQPDVMF-CJNGLKHVSA-N -1 0 341.860 3.582 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC000431982178 974079915 /nfs/dbraw/zinc/07/99/15/974079915.db2.gz PMOZWQUGOODIHK-AWEZNQCLSA-N -1 0 335.419 3.640 20 0 EHADRM CCc1sc(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)cc1C ZINC000432088084 974083767 /nfs/dbraw/zinc/08/37/67/974083767.db2.gz HJXZACHHICAZNB-HNNXBMFYSA-N -1 0 345.464 3.825 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC2(c3ccc(F)cc3F)CCCCC2)o1 ZINC000432098958 974085519 /nfs/dbraw/zinc/08/55/19/974085519.db2.gz OOZHRYSSHAYMKP-UHFFFAOYSA-N -1 0 349.333 3.845 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(Oc3ccncc3)cc2)s1 ZINC000432098223 974085530 /nfs/dbraw/zinc/08/55/30/974085530.db2.gz YHPJGYXHNUITGX-UHFFFAOYSA-N -1 0 340.360 3.886 20 0 EHADRM Cc1c(NC(=O)Cc2cccc(C(=O)[O-])c2)cccc1C(F)(F)F ZINC000432097985 974085570 /nfs/dbraw/zinc/08/55/70/974085570.db2.gz KVDGXIUKTZEQIX-UHFFFAOYSA-N -1 0 337.297 3.893 20 0 EHADRM CCCc1nc(C)c(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)o1 ZINC001603693010 974090898 /nfs/dbraw/zinc/09/08/98/974090898.db2.gz VZVIOSPMGWABIC-UHFFFAOYSA-N -1 0 340.738 3.679 20 0 EHADRM COc1cccc([C@@H](C)CCCC(=O)Nc2ccnc(C(=O)[O-])c2)c1 ZINC001604856916 974099305 /nfs/dbraw/zinc/09/93/05/974099305.db2.gz JRHANJUCELRVMN-ZDUSSCGKSA-N -1 0 342.395 3.701 20 0 EHADRM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC000439797265 974109923 /nfs/dbraw/zinc/10/99/23/974109923.db2.gz ZXPUQCPUNBVFAL-DIFFPNOSSA-N -1 0 345.345 3.886 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000442757896 974120039 /nfs/dbraw/zinc/12/00/39/974120039.db2.gz YPMAJBBYZCWRKP-JTQLQIEISA-N -1 0 332.227 3.638 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000442752431 974120281 /nfs/dbraw/zinc/12/02/81/974120281.db2.gz ROUDZAVBZUODDJ-VHSXEESVSA-N -1 0 332.227 3.809 20 0 EHADRM CCN(C(=O)Cc1ccc(C(=O)[O-])cc1)[C@H](C)c1ccc(F)cc1 ZINC000448986559 974126643 /nfs/dbraw/zinc/12/66/43/974126643.db2.gz MGEOUUDAECVEOO-CYBMUJFWSA-N -1 0 329.371 3.676 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)c1sccc1OC(F)F ZINC000449001584 974139244 /nfs/dbraw/zinc/13/92/44/974139244.db2.gz KVMBHFLGCDVSFL-JTQLQIEISA-N -1 0 347.383 3.503 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)Nc1nc(-c2ccccc2)cs1 ZINC001605719798 974153405 /nfs/dbraw/zinc/15/34/05/974153405.db2.gz MNFDPHLFVOKZCB-UHFFFAOYSA-N -1 0 338.388 3.690 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)Nc1ccc(C(F)(F)F)c(F)c1 ZINC001605720520 974154471 /nfs/dbraw/zinc/15/44/71/974154471.db2.gz XUGOXAJBDCEWOY-UHFFFAOYSA-N -1 0 341.260 3.724 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)N[C@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000455895491 974164832 /nfs/dbraw/zinc/16/48/32/974164832.db2.gz COLHYMSGSDBQNM-CXAGYDPISA-N -1 0 345.826 3.710 20 0 EHADRM CC[C@H](C)[C@H](C)C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000455942515 974175738 /nfs/dbraw/zinc/17/57/38/974175738.db2.gz YYHQSJDFVPUSHV-KWBADKCTSA-N -1 0 331.334 3.787 20 0 EHADRM CCN(C(=O)c1cc(Br)cc(C(=O)[O-])c1)c1ccccc1 ZINC000462895290 974186020 /nfs/dbraw/zinc/18/60/20/974186020.db2.gz KQOKBTMVJJUZSM-UHFFFAOYSA-N -1 0 348.196 3.814 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000471985354 974197974 /nfs/dbraw/zinc/19/79/74/974197974.db2.gz LFGMXKKYATXJMS-INIZCTEOSA-N -1 0 345.782 3.597 20 0 EHADRM COc1cc(Cl)c(C)cc1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000478831929 974209339 /nfs/dbraw/zinc/20/93/39/974209339.db2.gz CNLRPXVSRAFZFE-UHFFFAOYSA-N -1 0 337.734 3.747 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2CCc3c2cccc3Cl)c(F)c1 ZINC000478836958 974209491 /nfs/dbraw/zinc/20/94/91/974209491.db2.gz JCPBTYFRIVCGGG-HNNXBMFYSA-N -1 0 333.746 3.595 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1ccc(F)cc1Nc1ccccc1F ZINC000507298439 974276321 /nfs/dbraw/zinc/27/63/21/974276321.db2.gz JYRIDUJVJCNSAE-NWDGAFQWSA-N -1 0 346.333 3.758 20 0 EHADRM Cc1ccc(C[C@@H](Sc2nnc(C(F)(F)F)s2)C(=O)[O-])cc1 ZINC000517588205 974319083 /nfs/dbraw/zinc/31/90/83/974319083.db2.gz KTMAZTWGGCVJSQ-SECBINFHSA-N -1 0 348.371 3.653 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)CC2CCCCCC2)nc1C1CC1 ZINC000521630050 974346054 /nfs/dbraw/zinc/34/60/54/974346054.db2.gz XUMNSHYXOKKIMJ-UHFFFAOYSA-N -1 0 330.428 3.634 20 0 EHADRM Cc1ccc2[nH]c(C(=O)NC3(CC(=O)[O-])CCCCC3)cc2c1C ZINC000532000563 974370582 /nfs/dbraw/zinc/37/05/82/974370582.db2.gz MAJYQWLWWVPPOK-UHFFFAOYSA-N -1 0 328.412 3.692 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CC3(CCCC3)c3c2cccc3F)cc1 ZINC000532603139 974376422 /nfs/dbraw/zinc/37/64/22/974376422.db2.gz MOKHLRGWCJOQTQ-UHFFFAOYSA-N -1 0 339.366 3.996 20 0 EHADRM CCSc1ccccc1CC(=O)N[C@H](C(=O)[O-])c1cccc(C)c1 ZINC001603895048 974393624 /nfs/dbraw/zinc/39/36/24/974393624.db2.gz CWYKECIMECVBSN-SFHVURJKSA-N -1 0 343.448 3.592 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000539614273 974397713 /nfs/dbraw/zinc/39/77/13/974397713.db2.gz MAJKMPNJDZRXND-UHFFFAOYSA-N -1 0 348.226 3.522 20 0 EHADRM CCN(Cc1cccc(Cl)c1)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000539676838 974399200 /nfs/dbraw/zinc/39/92/00/974399200.db2.gz MQQOHCKKUBPWFB-UHFFFAOYSA-N -1 0 331.799 3.629 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])o1)c1cc(F)c(Cl)cc1Cl ZINC000539677699 974400271 /nfs/dbraw/zinc/40/02/71/974400271.db2.gz IAEDFYVPMJQAQR-ZCFIWIBFSA-N -1 0 346.141 3.915 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1csc(-c2ccccc2)n1 ZINC000540713404 974406627 /nfs/dbraw/zinc/40/66/27/974406627.db2.gz OPINRZKMNFBZFP-UHFFFAOYSA-N -1 0 332.425 3.573 20 0 EHADRM CC[C@@H]1CC[C@H](C)N(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)C1 ZINC001603918769 974414628 /nfs/dbraw/zinc/41/46/28/974414628.db2.gz MNNYKSZGIRZYDR-IXKJSCDLSA-N -1 0 330.428 3.520 20 0 EHADRM O=C([O-])c1coc(C(=O)N[C@H](c2cccs2)c2ccc(F)cc2)c1 ZINC000542764046 974416276 /nfs/dbraw/zinc/41/62/76/974416276.db2.gz HAUYBYZFRLVULY-HNNXBMFYSA-N -1 0 345.351 3.698 20 0 EHADRM O=C([O-])c1coc(C(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)c1 ZINC000542764047 974416636 /nfs/dbraw/zinc/41/66/36/974416636.db2.gz HAUYBYZFRLVULY-OAHLLOKOSA-N -1 0 345.351 3.698 20 0 EHADRM CCc1cc2c(nc(C)nc2N2CCC[C@](CC)(C(=O)[O-])C2)s1 ZINC001603969510 974457366 /nfs/dbraw/zinc/45/73/66/974457366.db2.gz NDPQYIACZAMKNZ-KRWDZBQOSA-N -1 0 333.457 3.643 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccnc(Oc3ccccc3)c2)cc1 ZINC000551960587 974479432 /nfs/dbraw/zinc/47/94/32/974479432.db2.gz DFKDTWAVAJOULY-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1c2c(nc3ccccc31)CCC2 ZINC000558143286 974493333 /nfs/dbraw/zinc/49/33/33/974493333.db2.gz ORZYQQZHAFBIHM-UHFFFAOYSA-N -1 0 346.386 3.982 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N(C)Cc1ccc(C(C)(C)C)cc1 ZINC000560445187 974501364 /nfs/dbraw/zinc/50/13/64/974501364.db2.gz QSGSFFYCJFRXIS-UHFFFAOYSA-N -1 0 343.423 3.785 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1cc2cccc(Cl)c2s1 ZINC000563145012 974517524 /nfs/dbraw/zinc/51/75/24/974517524.db2.gz ZRUKKJRWNLPBNZ-UHFFFAOYSA-N -1 0 325.817 3.928 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2CCc3cc(F)ccc32)cc1 ZINC000563452117 974533721 /nfs/dbraw/zinc/53/37/21/974533721.db2.gz ZNFWVLJACKEQRB-PIGZYNQJSA-N -1 0 327.355 3.682 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000565226588 974575355 /nfs/dbraw/zinc/57/53/55/974575355.db2.gz YBGXQHQDEPMOTN-PELKAZGASA-N -1 0 330.211 3.598 20 0 EHADRM CC[C@@H](C(=O)NCC1(CC(=O)[O-])CCCCC1)c1ccc(OC)cc1 ZINC000566776084 974622205 /nfs/dbraw/zinc/62/22/05/974622205.db2.gz PNBPZCQIWJDABM-QGZVFWFLSA-N -1 0 347.455 3.730 20 0 EHADRM O=C([O-])c1cccc(Cl)c1CN1CCO[C@@H](c2cccs2)C1 ZINC000566920711 974624773 /nfs/dbraw/zinc/62/47/73/974624773.db2.gz RUEWJUBJSNAPDG-CQSZACIVSA-N -1 0 337.828 3.673 20 0 EHADRM CC[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CCS1 ZINC000568062973 974657934 /nfs/dbraw/zinc/65/79/34/974657934.db2.gz XOPZNYZKNXCHFC-ZWNOBZJWSA-N -1 0 334.268 3.947 20 0 EHADRM CC(C)(C)c1cccc(C(=O)Nc2cccc(OCC(=O)[O-])c2)c1 ZINC000568245544 974662706 /nfs/dbraw/zinc/66/27/06/974662706.db2.gz QHFZCGMKEKNAII-UHFFFAOYSA-N -1 0 327.380 3.700 20 0 EHADRM COc1ccc(C[C@@H](C)Nc2cccc(CC(=O)[O-])c2)c(C)c1OC ZINC000568604600 974674246 /nfs/dbraw/zinc/67/42/46/974674246.db2.gz FZQQRMNKVIFGED-CYBMUJFWSA-N -1 0 343.423 3.682 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1CCOc1ccccc1C(=O)[O-] ZINC000569251749 974688064 /nfs/dbraw/zinc/68/80/64/974688064.db2.gz ZODIANXMLUCJFP-ZIAGYGMSSA-N -1 0 343.398 3.911 20 0 EHADRM Cc1c(NCC(C)(C)C)cccc1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000571561749 974731645 /nfs/dbraw/zinc/73/16/45/974731645.db2.gz WDNMVMHVVGRFTL-UHFFFAOYSA-N -1 0 346.471 3.826 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])o1)Cc1ccccc1OC(F)(F)F ZINC000572889617 974755875 /nfs/dbraw/zinc/75/58/75/974755875.db2.gz USUBFMDLUOHUNH-UHFFFAOYSA-N -1 0 329.274 3.508 20 0 EHADRM O=C([O-])Cc1cccc(-c2cc(F)ccc2OC[C@H]2CCOC2)c1 ZINC000574705364 974787477 /nfs/dbraw/zinc/78/74/77/974787477.db2.gz YHDQTEQEFUGQOG-AWEZNQCLSA-N -1 0 330.355 3.535 20 0 EHADRM O=C([O-])c1ccc([C@H](NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)C(F)(F)F)cc1 ZINC000575114967 974795579 /nfs/dbraw/zinc/79/55/79/974795579.db2.gz VUFJVUSVWLUAAZ-CRWXNKLISA-N -1 0 341.329 3.541 20 0 EHADRM CC(C)(C)c1cnc(CN(CC(=O)[O-])Cc2ccc(Cl)cc2)o1 ZINC000578900825 974865325 /nfs/dbraw/zinc/86/53/25/974865325.db2.gz WTIWKZGDGYVYEW-UHFFFAOYSA-N -1 0 336.819 3.712 20 0 EHADRM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)C[C@H](C)CC(=O)[O-] ZINC000583823498 974946318 /nfs/dbraw/zinc/94/63/18/974946318.db2.gz ZJLCSUGJQBIQOM-JQWIXIFHSA-N -1 0 326.462 3.595 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)c1cc(Cl)ccc1F ZINC000590410979 974968404 /nfs/dbraw/zinc/96/84/04/974968404.db2.gz ZAYOHUDMOSAPPW-UHFFFAOYSA-N -1 0 335.762 3.596 20 0 EHADRM Cc1cc(C(=O)N(CCC(=O)[O-])Cc2ccccc2)c2ccccc2n1 ZINC000606149078 975016161 /nfs/dbraw/zinc/01/61/61/975016161.db2.gz UPQMNFONPOLHAF-UHFFFAOYSA-N -1 0 348.402 3.660 20 0 EHADRM CCSCc1ccc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000611478627 975019069 /nfs/dbraw/zinc/01/90/69/975019069.db2.gz PFHVTIUAPGHJHT-MRXNPFEDSA-N -1 0 349.496 3.903 20 0 EHADRM CC(C)(CC(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1)C(F)(F)F ZINC000621589034 975046755 /nfs/dbraw/zinc/04/67/55/975046755.db2.gz LYNNORWPOHSJJN-STQMWFEESA-N -1 0 343.345 3.782 20 0 EHADRM Cc1scc(C(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)c1C ZINC000621589358 975047532 /nfs/dbraw/zinc/04/75/32/975047532.db2.gz UDLZWBGEXGVMQO-HOTGVXAUSA-N -1 0 329.421 3.795 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000621621439 975063728 /nfs/dbraw/zinc/06/37/28/975063728.db2.gz PTMBDTWCTDCBLI-CQSZACIVSA-N -1 0 340.423 3.516 20 0 EHADRM CCC[C@H](C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000630100291 975101408 /nfs/dbraw/zinc/10/14/08/975101408.db2.gz GIVZYWDISPFETD-JKSUJKDBSA-N -1 0 349.858 3.937 20 0 EHADRM Cc1cc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)oc1C(=O)[O-] ZINC000630103816 975102959 /nfs/dbraw/zinc/10/29/59/975102959.db2.gz DZYQPUHHBMITLC-AWEZNQCLSA-N -1 0 333.771 3.821 20 0 EHADRM Cc1cc(C(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)oc1C(=O)[O-] ZINC000630106988 975103634 /nfs/dbraw/zinc/10/36/34/975103634.db2.gz OLGUXQLZUAIAMS-QMTHXVAHSA-N -1 0 343.379 3.807 20 0 EHADRM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cncc(C(=O)[O-])c1 ZINC000630113817 975107178 /nfs/dbraw/zinc/10/71/78/975107178.db2.gz VJNFZQJUYRWTBU-ROUUACIJSA-N -1 0 338.407 3.578 20 0 EHADRM Cc1cc(C(=O)N(C)[C@@H](C)Cc2ccc(Cl)cc2)oc1C(=O)[O-] ZINC000630119768 975109462 /nfs/dbraw/zinc/10/94/62/975109462.db2.gz NMYSEOCOYUKNNO-NSHDSACASA-N -1 0 335.787 3.643 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)[C@H]1Cc2ccc(Cl)cc21)c1ccccc1 ZINC000630126280 975112071 /nfs/dbraw/zinc/11/20/71/975112071.db2.gz FZTGDEYMBDZCFK-IRXDYDNUSA-N -1 0 343.810 3.702 20 0 EHADRM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000630127660 975113520 /nfs/dbraw/zinc/11/35/20/975113520.db2.gz UKZVQTVAMWNISJ-GGPKGHCWSA-N -1 0 349.430 3.608 20 0 EHADRM CCCc1ccc(C(=O)N[C@H](C)c2ccc(OCC(=O)[O-])cc2)s1 ZINC000630189588 975149106 /nfs/dbraw/zinc/14/91/06/975149106.db2.gz MHJZSZGCVTYJFS-GFCCVEGCSA-N -1 0 347.436 3.655 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@@H]2c2c(C)cccc2C)oc1C(=O)[O-] ZINC000630203237 975158413 /nfs/dbraw/zinc/15/84/13/975158413.db2.gz CZCBGCSPJHDQDC-CQSZACIVSA-N -1 0 327.380 3.880 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1C(=O)N[C@@](C)(CCF)C(=O)[O-] ZINC000630212165 975162288 /nfs/dbraw/zinc/16/22/88/975162288.db2.gz XFMNCSJUNYHQBR-IBGZPJMESA-N -1 0 345.370 3.720 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N(Cc2ccccc2Cl)CC2CC2)C1 ZINC000630229209 975176798 /nfs/dbraw/zinc/17/67/98/975176798.db2.gz UTWWMINNVOQEQA-HUUCEWRRSA-N -1 0 349.858 3.970 20 0 EHADRM CC[C@H](C)[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC000630255203 975198002 /nfs/dbraw/zinc/19/80/02/975198002.db2.gz FMLUSYXAGRHGHO-VHSXEESVSA-N -1 0 329.343 3.649 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)C(C2CCC2)C2CCC2)cc1F)C(=O)[O-] ZINC000630260545 975203990 /nfs/dbraw/zinc/20/39/90/975203990.db2.gz KESWQFGPEXUTNG-NSHDSACASA-N -1 0 349.402 3.833 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NCC[C@@H]1CC=CCC1)C(=O)[O-] ZINC000630262110 975206023 /nfs/dbraw/zinc/20/60/23/975206023.db2.gz JPLCOPFSXDSTQX-UONOGXRCSA-N -1 0 333.453 3.728 20 0 EHADRM COc1ccc([C@H](C)CC(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC000630265617 975208993 /nfs/dbraw/zinc/20/89/93/975208993.db2.gz PJTMOSVANNSKLC-RDTXWAMCSA-N -1 0 347.455 3.586 20 0 EHADRM C[C@@H](C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1)c1ccc(Cl)s1 ZINC000630265928 975209907 /nfs/dbraw/zinc/20/99/07/975209907.db2.gz SVAQVIZOXHWJHQ-ZYHUDNBSSA-N -1 0 343.876 3.902 20 0 EHADRM CC1(C)[C@H](c2cccc(F)c2)CCN1C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000630274332 975219173 /nfs/dbraw/zinc/21/91/73/975219173.db2.gz MXIRCUWQFZHUJT-VYDXJSESSA-N -1 0 347.430 3.811 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)[C@H]2CCC[C@@H]21 ZINC000630283281 975228118 /nfs/dbraw/zinc/22/81/18/975228118.db2.gz SBIPPVYSUMFOGP-MCIONIFRSA-N -1 0 342.222 3.709 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]2CCC[C@H]21 ZINC000630284493 975229020 /nfs/dbraw/zinc/22/90/20/975229020.db2.gz XBQBNGSHNGEKKU-WDMOLILDSA-N -1 0 342.222 3.709 20 0 EHADRM CC(C)Sc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)cc1 ZINC000630285517 975230376 /nfs/dbraw/zinc/23/03/76/975230376.db2.gz OBNDOLVZEBBUEV-IKGGRYGDSA-N -1 0 347.480 3.903 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000630287535 975231482 /nfs/dbraw/zinc/23/14/82/975231482.db2.gz YYVDNPBBSPSRAG-QAETUUGQSA-N -1 0 347.480 3.659 20 0 EHADRM Cc1cc(C(=O)N2[C@H](C)C[C@H](c3ccccc3)[C@@H]2C)oc1C(=O)[O-] ZINC000630295996 975235893 /nfs/dbraw/zinc/23/58/93/975235893.db2.gz XCJNYWBNWNLJBW-IPYPFGDCSA-N -1 0 327.380 3.693 20 0 EHADRM CCO[C@H](C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)c1ccccc1 ZINC000630329002 975256690 /nfs/dbraw/zinc/25/66/90/975256690.db2.gz XMSUSTNKVQOXQT-KSZLIROESA-N -1 0 339.391 3.591 20 0 EHADRM Cc1csc(CCCC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)n1 ZINC000630330873 975258939 /nfs/dbraw/zinc/25/89/39/975258939.db2.gz SFJXXOXXNBOOEH-LSDHHAIUSA-N -1 0 344.436 3.601 20 0 EHADRM O=C([O-])CC1(CC(=O)NCCCc2c[nH]c3ccccc23)CCCC1 ZINC000634881875 975279939 /nfs/dbraw/zinc/27/99/39/975279939.db2.gz XZJQLDFNYUNMHV-UHFFFAOYSA-N -1 0 342.439 3.642 20 0 EHADRM CC(C)Nc1ccc(Cl)cc1NC(=O)c1csc(C(=O)[O-])n1 ZINC001591671724 975431606 /nfs/dbraw/zinc/43/16/06/975431606.db2.gz GMNUDLSWPVIDQW-UHFFFAOYSA-N -1 0 339.804 3.567 20 0 EHADRM CC(C)Nc1cccc(F)c1NC(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001591672189 975433795 /nfs/dbraw/zinc/43/37/95/975433795.db2.gz NPLNFYWYUPXVSI-UHFFFAOYSA-N -1 0 334.322 3.736 20 0 EHADRM C[C@@H](C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)c1ccc(Cl)cc1 ZINC000652068556 975466452 /nfs/dbraw/zinc/46/64/52/975466452.db2.gz HBVFUGWHDQEILA-YJYMSZOUSA-N -1 0 345.826 3.602 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)COC[C@@H](C)c2ccccc2)c1 ZINC000652072756 975469560 /nfs/dbraw/zinc/46/95/60/975469560.db2.gz KHFBWHOEGKIKBK-HUUCEWRRSA-N -1 0 341.407 3.634 20 0 EHADRM C[C@@H]1CN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CCc2ccc(Cl)cc21 ZINC000652092172 975488178 /nfs/dbraw/zinc/48/81/78/975488178.db2.gz DZRCPVOBXAMTID-BPLDGKMQSA-N -1 0 349.858 3.719 20 0 EHADRM C[C@@H](c1noc(-c2ccccc2)n1)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000652485898 975552641 /nfs/dbraw/zinc/55/26/41/975552641.db2.gz RSNYGJBMYIDKOF-ZDUSSCGKSA-N -1 0 349.390 3.554 20 0 EHADRM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2cccc(CC(=O)[O-])c2)o1 ZINC000653641688 975609212 /nfs/dbraw/zinc/60/92/12/975609212.db2.gz RROAWDBZCHFUIM-SUMWQHHRSA-N -1 0 341.407 3.829 20 0 EHADRM C[C@@H](CN(C(=O)CCc1c(Cl)cccc1Cl)C1CC1)C(=O)[O-] ZINC000656238320 975653490 /nfs/dbraw/zinc/65/34/90/975653490.db2.gz LUJXZHWIUDQQOC-JTQLQIEISA-N -1 0 344.238 3.638 20 0 EHADRM CC1(C)CO[C@H](c2cccc(Cl)c2)CN1Cc1cc(C(=O)[O-])co1 ZINC000656764876 975696904 /nfs/dbraw/zinc/69/69/04/975696904.db2.gz GHNIYVZWAFWWQL-INIZCTEOSA-N -1 0 349.814 3.983 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000659120124 975717502 /nfs/dbraw/zinc/71/75/02/975717502.db2.gz ZCOMWFVEZYQTEG-UHFFFAOYSA-N -1 0 344.367 3.523 20 0 EHADRM CC1=CC[C@@](C)(C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)CC1 ZINC000659132628 975733178 /nfs/dbraw/zinc/73/31/78/975733178.db2.gz BMDHWRUHNJSXPA-HXUWFJFHSA-N -1 0 345.439 3.683 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CCC[C@H]2C[C@H]21)c1ccc2ccccc2c1 ZINC000659151041 975751905 /nfs/dbraw/zinc/75/19/05/975751905.db2.gz HYYNLIKYAUIHSZ-AITUJVMLSA-N -1 0 337.419 3.908 20 0 EHADRM COc1cc(NC(=O)[C@@]2(c3ccccc3)CC2(C)C)ccc1C(=O)[O-] ZINC000659152668 975752978 /nfs/dbraw/zinc/75/29/78/975752978.db2.gz CNCFOSPOGUZGLT-FQEVSTJZSA-N -1 0 339.391 3.700 20 0 EHADRM Cc1cc(F)ccc1C[C@@H](C)NC(=O)CCc1ccccc1C(=O)[O-] ZINC000659166449 975765969 /nfs/dbraw/zinc/76/59/69/975765969.db2.gz KKKBKNLSFJHJAE-CQSZACIVSA-N -1 0 343.398 3.512 20 0 EHADRM CC(C)c1cccc(-c2ccc(C(=O)N3CC4CC3(C(=O)[O-])C4)o2)c1 ZINC000659179314 975774058 /nfs/dbraw/zinc/77/40/58/975774058.db2.gz GFDDGKVPOYNJMA-UHFFFAOYSA-N -1 0 339.391 3.759 20 0 EHADRM CCCc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)cc1 ZINC000659192036 975789400 /nfs/dbraw/zinc/78/94/00/975789400.db2.gz FKEZRESJQMBNEF-OKZBNKHCSA-N -1 0 329.440 3.745 20 0 EHADRM Cc1ccc2cc(C(=O)N3CC[C@H](C(=O)[O-])[C@H]4CCCC[C@@H]43)[nH]c2c1 ZINC000659196705 975801459 /nfs/dbraw/zinc/80/14/59/975801459.db2.gz XJPMOIKLXODLTF-VKJFTORMSA-N -1 0 340.423 3.582 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC000659208711 975819259 /nfs/dbraw/zinc/81/92/59/975819259.db2.gz KHNLOAVZCQDWLY-NSHDSACASA-N -1 0 341.860 3.683 20 0 EHADRM C[C@@H](C(=O)NC[C@H](CC(=O)[O-])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000659210438 975821595 /nfs/dbraw/zinc/82/15/95/975821595.db2.gz TWWGJSBSIBDWGK-SKDRFNHKSA-N -1 0 344.238 3.714 20 0 EHADRM CC(C)Oc1cc(F)ccc1NC(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001591755737 975822127 /nfs/dbraw/zinc/82/21/27/975822127.db2.gz QMRFYWXOTBTLBH-UHFFFAOYSA-N -1 0 335.306 3.703 20 0 EHADRM CC(C)Oc1cc(O)ccc1NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001591756565 975825976 /nfs/dbraw/zinc/82/59/76/975825976.db2.gz CKEVLNVEPHUIDS-UHFFFAOYSA-N -1 0 349.770 3.783 20 0 EHADRM CC(C)c1cccc(CNC(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC000659400938 975845672 /nfs/dbraw/zinc/84/56/72/975845672.db2.gz CZRIEDOPUPIHJG-UHFFFAOYSA-N -1 0 332.444 3.596 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CCC[C@H](C)[C@@H]1C ZINC001591763211 975864873 /nfs/dbraw/zinc/86/48/73/975864873.db2.gz JDGGQYILXUAUOS-STQMWFEESA-N -1 0 334.416 3.824 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N[C@@H]1CCC(C)(C)C1 ZINC001591767108 975876872 /nfs/dbraw/zinc/87/68/72/975876872.db2.gz GYTCTWWSNBFWOM-CYBMUJFWSA-N -1 0 334.416 3.872 20 0 EHADRM CC(C)Oc1ccc(NC(=O)C[C@H]2CCC3(CCC3)O2)c(C(=O)[O-])c1 ZINC001591780979 975947820 /nfs/dbraw/zinc/94/78/20/975947820.db2.gz OUKINMCUEAJEBN-CQSZACIVSA-N -1 0 347.411 3.602 20 0 EHADRM CCC(CC)[C@@H](NC(=O)NCCCCC(=O)[O-])c1cccs1 ZINC000666519977 975965902 /nfs/dbraw/zinc/96/59/02/975965902.db2.gz AAUZPMOJEGWRRG-OAHLLOKOSA-N -1 0 326.462 3.780 20 0 EHADRM O=C([O-])c1ccc2c(c1)[C@H](CNC(=O)c1ccsc1Cl)CCC2 ZINC000668295352 975989954 /nfs/dbraw/zinc/98/99/54/975989954.db2.gz QACVKIPNFRVNFO-LBPRGKRZSA-N -1 0 349.839 3.950 20 0 EHADRM CC(C)Oc1ccc2ccccc2c1CNc1nccnc1C(=O)[O-] ZINC001591791766 975990204 /nfs/dbraw/zinc/99/02/04/975990204.db2.gz NEPUFGPLOYPYBD-UHFFFAOYSA-N -1 0 337.379 3.727 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000669435094 976001787 /nfs/dbraw/zinc/00/17/87/976001787.db2.gz TWFYHSGETNMSFX-AEFFLSMTSA-N -1 0 337.419 3.860 20 0 EHADRM CC(C)Oc1cccc(NC(=O)Nc2ccc(OCC(=O)[O-])cc2)c1 ZINC001591796718 976010921 /nfs/dbraw/zinc/01/09/21/976010921.db2.gz QHKJEPIHHNPNOZ-UHFFFAOYSA-N -1 0 344.367 3.581 20 0 EHADRM CC(C)Oc1cccc(NC(=O)N[C@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC001591797016 976011576 /nfs/dbraw/zinc/01/15/76/976011576.db2.gz UMKGGIKQWSNVNF-SNVBAGLBSA-N -1 0 349.412 3.511 20 0 EHADRM CC(C)[C@H](NC(=O)c1ccc(Oc2ccccc2Cl)cc1)C(=O)[O-] ZINC000676217971 976029699 /nfs/dbraw/zinc/02/96/99/976029699.db2.gz XSVUYSDHOJFLHS-INIZCTEOSA-N -1 0 347.798 3.971 20 0 EHADRM CC(C)C[C@H](NC(=O)c1cc2c(cccc2Cl)s1)C(=O)[O-] ZINC000676217083 976029831 /nfs/dbraw/zinc/02/98/31/976029831.db2.gz SRKYMEUIYRMEPW-NSHDSACASA-N -1 0 325.817 3.784 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccccc2Oc2cccnc2)cc1 ZINC000678030329 976031260 /nfs/dbraw/zinc/03/12/60/976031260.db2.gz JKZSZWJWNHPOTO-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM O=C([O-])CC1(CNC(=O)C[C@@H]2CCc3ccccc32)CCCCC1 ZINC000679098508 976042250 /nfs/dbraw/zinc/04/22/50/976042250.db2.gz UWZLYRRYGPXYFM-INIZCTEOSA-N -1 0 329.440 3.648 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000679102436 976043567 /nfs/dbraw/zinc/04/35/67/976043567.db2.gz XYOXHKVGQMNAQH-HOCLYGCPSA-N -1 0 349.446 3.744 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000679103707 976045781 /nfs/dbraw/zinc/04/57/81/976045781.db2.gz YMPDUTGMMUOLON-GOEBONIOSA-N -1 0 349.496 3.907 20 0 EHADRM CCC[C@H](C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC000679105655 976047316 /nfs/dbraw/zinc/04/73/16/976047316.db2.gz ROBPOAOBDCFKAK-IRXDYDNUSA-N -1 0 331.456 3.920 20 0 EHADRM Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccccc3C(=O)[O-])c12 ZINC000683327084 976088573 /nfs/dbraw/zinc/08/85/73/976088573.db2.gz NNEOULYTJXNUDF-UHFFFAOYSA-N -1 0 339.351 3.605 20 0 EHADRM CC(C)c1cc(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)nn1C ZINC001591931126 976432580 /nfs/dbraw/zinc/43/25/80/976432580.db2.gz RRCXSMUVGJKVRK-UHFFFAOYSA-N -1 0 337.379 3.647 20 0 EHADRM CC(C)c1ccc(C(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)nc1 ZINC001591947082 976487988 /nfs/dbraw/zinc/48/79/88/976487988.db2.gz FNNINUQTCPUSLS-UHFFFAOYSA-N -1 0 327.380 3.786 20 0 EHADRM CC(C)c1ccc([C@@H]2CCCCN2C(=O)NCCCC(=O)[O-])cc1 ZINC001591948360 976499261 /nfs/dbraw/zinc/49/92/61/976499261.db2.gz GANMPEMNCHAXGI-KRWDZBQOSA-N -1 0 332.444 3.911 20 0 EHADRM O=Cc1c[nH]c2cc(C(=O)Nc3cc(F)cc(Cl)c3[O-])ccc12 ZINC001625779583 1014330730 /nfs/dbraw/zinc/33/07/30/1014330730.db2.gz OOVFISGGRWGCOT-UHFFFAOYSA-N -1 0 332.718 3.731 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1ccsc1C(=O)[O-])CC2 ZINC001591974597 976591671 /nfs/dbraw/zinc/59/16/71/976591671.db2.gz ZESIXEOOKZNSHS-HNNXBMFYSA-N -1 0 329.421 3.987 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)NCC(C)(C)CC(=O)[O-])CCC2 ZINC001591981156 976595900 /nfs/dbraw/zinc/59/59/00/976595900.db2.gz PRPAPGKTVRNPSD-QGZVFWFLSA-N -1 0 346.471 3.988 20 0 EHADRM CC(C)c1cccc(NC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)c1 ZINC001591991746 976619859 /nfs/dbraw/zinc/61/98/59/976619859.db2.gz JCGCMJVATWHBKM-DNVCBOLYSA-N -1 0 330.428 3.919 20 0 EHADRM CC(C)c1cccc2c1CCN(C(=O)c1ccsc1CC(=O)[O-])C2 ZINC001591994114 976627046 /nfs/dbraw/zinc/62/70/46/976627046.db2.gz ARKAWQIYUHPNOY-UHFFFAOYSA-N -1 0 343.448 3.697 20 0 EHADRM CC(C)c1ccccc1Nc1ccc(C(=O)N2CC[C@H]2C(=O)[O-])cc1 ZINC001591998622 976645462 /nfs/dbraw/zinc/64/54/62/976645462.db2.gz QDFBRXZQGSPMBD-SFHVURJKSA-N -1 0 338.407 3.853 20 0 EHADRM CC(C)c1cnc(CN[C@@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)o1 ZINC001592002688 976652820 /nfs/dbraw/zinc/65/28/20/976652820.db2.gz BYPVRMJNYHWDAT-DJJJIMSYSA-N -1 0 328.412 3.765 20 0 EHADRM CC(C)c1nc(NC(=O)c2ccccc2OC2CC2)sc1C(=O)[O-] ZINC001592028456 976727287 /nfs/dbraw/zinc/72/72/87/976727287.db2.gz JGVZLLDEKSWQFM-UHFFFAOYSA-N -1 0 346.408 3.758 20 0 EHADRM CC(C)c1noc2nc(C3CC3)cc(C(=O)OCCCCC(=O)[O-])c21 ZINC001592101928 976864771 /nfs/dbraw/zinc/86/47/71/976864771.db2.gz JJSFXZVKMLUQPN-UHFFFAOYSA-N -1 0 346.383 3.635 20 0 EHADRM CC(C)n1cc(C(=O)Nc2nc(C3CCCC3)c(C(=O)[O-])s2)cn1 ZINC001592126229 976939848 /nfs/dbraw/zinc/93/98/48/976939848.db2.gz AKYTYVJYUBYTNG-UHFFFAOYSA-N -1 0 348.428 3.529 20 0 EHADRM CC(C)n1cc(OCc2cc(Br)ccc2C(=O)[O-])cn1 ZINC001592131545 976966634 /nfs/dbraw/zinc/96/66/34/976966634.db2.gz KOXXFVADESQAIG-UHFFFAOYSA-N -1 0 339.189 3.504 20 0 EHADRM C[C@H](/C=C\C(=O)[O-])NC(=O)c1c(F)cccc1Sc1ccccc1 ZINC001592201847 977210014 /nfs/dbraw/zinc/21/00/14/977210014.db2.gz QQJSNVLVGGSAFB-NLYDNYMLSA-N -1 0 345.395 3.736 20 0 EHADRM C[C@H](CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-])c1ccccc1 ZINC001592227667 977424854 /nfs/dbraw/zinc/42/48/54/977424854.db2.gz PVSJWGNOCOPBMK-HZPDHXFCSA-N -1 0 325.408 3.682 20 0 EHADRM C[C@H](CC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])Cc1ccc(Cl)cc1 ZINC001592228132 977427613 /nfs/dbraw/zinc/42/76/13/977427613.db2.gz YFPDHJKXZGSBLN-WIRVQXDCSA-N -1 0 349.858 3.620 20 0 EHADRM C[C@H](CC(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-])c1cnn(C)c1 ZINC001592278107 977560132 /nfs/dbraw/zinc/56/01/32/977560132.db2.gz NUTOIBARMVAZIO-SNVBAGLBSA-N -1 0 349.456 3.610 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)/C=C/c1cc(Cl)cc(Cl)c1)C1CC1 ZINC001592280262 977567802 /nfs/dbraw/zinc/56/78/02/977567802.db2.gz CKJJDLUDMJIHAR-AUYOJAJCSA-N -1 0 342.222 3.766 20 0 EHADRM CC(C)[C@](C)(Cc1ccc(Cl)cc1)NC(=O)[C@H](C)CC(=O)[O-] ZINC001592344658 977801394 /nfs/dbraw/zinc/80/13/94/977801394.db2.gz CWDNXWQAGZLGBN-PXAZEXFGSA-N -1 0 325.836 3.524 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)Nc1cccc(CCCc2ccccc2)c1 ZINC001592362053 977855719 /nfs/dbraw/zinc/85/57/19/977855719.db2.gz VUNQJGVKGJLHQM-HNNXBMFYSA-N -1 0 325.408 3.911 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N(C)c1ccc(C(F)(F)F)cc1Cl ZINC001592371209 977891511 /nfs/dbraw/zinc/89/15/11/977891511.db2.gz POBFZLVLNHZFAR-QMMMGPOBSA-N -1 0 337.725 3.823 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC001592394503 977945342 /nfs/dbraw/zinc/94/53/42/977945342.db2.gz JAEZXMFCHMPUMD-LBPRGKRZSA-N -1 0 338.835 3.770 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)OCc1ncc(-c2cccc(Cl)c2)o1 ZINC001592402171 977968908 /nfs/dbraw/zinc/96/89/08/977968908.db2.gz NJLGFISSUIFVMV-JTQLQIEISA-N -1 0 337.759 3.539 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)OCc1ncc(-c2cccc(Cl)c2)o1 ZINC001592402173 977968923 /nfs/dbraw/zinc/96/89/23/977968923.db2.gz NJLGFISSUIFVMV-SNVBAGLBSA-N -1 0 337.759 3.539 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)OCc1cc(Cl)cc(Br)c1 ZINC001592402442 977969563 /nfs/dbraw/zinc/96/95/63/977969563.db2.gz OOOAODRWTXWQAY-MRVPVSSYSA-N -1 0 349.608 3.647 20 0 EHADRM C[C@@H](CC(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1)c1ccncc1 ZINC001592423771 978041249 /nfs/dbraw/zinc/04/12/49/978041249.db2.gz HBFQEKXNQVGYNN-ZBEGNZNMSA-N -1 0 333.771 3.598 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001592453693 978156194 /nfs/dbraw/zinc/15/61/94/978156194.db2.gz QRLOPMNFZMPTHR-ZBFHGGJFSA-N -1 0 346.471 3.543 20 0 EHADRM C[C@H](CCN1C[C@H](C(=O)[O-])Oc2cc(F)ccc21)c1ccccc1 ZINC001592513809 978350874 /nfs/dbraw/zinc/35/08/74/978350874.db2.gz KNKFZLMCXMXEDC-FZKQIMNGSA-N -1 0 329.371 3.672 20 0 EHADRM CC(C)c1cc(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)c(O)c(C(C)C)c1 ZINC001592562698 978450762 /nfs/dbraw/zinc/45/07/62/978450762.db2.gz IADHTENUSBTSHY-CYBMUJFWSA-N -1 0 347.455 3.964 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)Cn1ccc2ccc(Cl)cc21 ZINC000739356881 978632484 /nfs/dbraw/zinc/63/24/84/978632484.db2.gz QTBYMGRCCKXEKV-UHFFFAOYSA-N -1 0 346.745 3.771 20 0 EHADRM Cc1cc(CN[C@@H](C(=O)[O-])c2ccccc2Br)c(C)o1 ZINC000756352515 978699105 /nfs/dbraw/zinc/69/91/05/978699105.db2.gz WIKBXNCWLXZMOG-CQSZACIVSA-N -1 0 338.201 3.574 20 0 EHADRM CC1(C)CCC(=CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])CC1 ZINC000761569768 978711353 /nfs/dbraw/zinc/71/13/53/978711353.db2.gz DEWYBJVDJFMBNL-KRWDZBQOSA-N -1 0 327.424 3.551 20 0 EHADRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)C1CCCCCCC1 ZINC000762230176 978718862 /nfs/dbraw/zinc/71/88/62/978718862.db2.gz FUSRTBJGTTULSO-SFHVURJKSA-N -1 0 331.456 3.939 20 0 EHADRM COCc1ccc(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])o1 ZINC000766982430 978730753 /nfs/dbraw/zinc/73/07/53/978730753.db2.gz CMKPFQSTEAWEQD-UHFFFAOYSA-N -1 0 325.320 3.530 20 0 EHADRM O=C([O-])CN(C(=O)c1csc(-c2ccccc2)n1)C1CCCCC1 ZINC000767026313 978732280 /nfs/dbraw/zinc/73/22/80/978732280.db2.gz WXROCELRKUPUCB-UHFFFAOYSA-N -1 0 344.436 3.670 20 0 EHADRM O=C([O-])CCCCNC(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000773231297 978744853 /nfs/dbraw/zinc/74/48/53/978744853.db2.gz ABOKXKDIJRKGRN-UHFFFAOYSA-N -1 0 331.343 3.603 20 0 EHADRM O=C([O-])CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C=C1CCCC1 ZINC000776613104 978758373 /nfs/dbraw/zinc/75/83/73/978758373.db2.gz OMEMKWKKSCVROD-UHFFFAOYSA-N -1 0 341.329 3.619 20 0 EHADRM O=C([O-])c1cnc(/C=C\c2cnn(Cc3ccccc3)c2Cl)s1 ZINC000789127038 978798074 /nfs/dbraw/zinc/79/80/74/978798074.db2.gz HVKOTGBWSQVHAH-SREVYHEPSA-N -1 0 345.811 3.910 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000811818102 978862483 /nfs/dbraw/zinc/86/24/83/978862483.db2.gz GEHAVILHGUKILI-JTQLQIEISA-N -1 0 333.771 3.998 20 0 EHADRM CCc1cccc(C)c1NS(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000471117517 1014534183 /nfs/dbraw/zinc/53/41/83/1014534183.db2.gz VUFPTPDPMFVVII-UHFFFAOYSA-N -1 0 347.436 3.673 20 0 EHADRM O=C([O-])c1cn(CC(=O)Nc2ccc(F)c(Cl)c2)c2ccccc12 ZINC000818802199 978923425 /nfs/dbraw/zinc/92/34/25/978923425.db2.gz DIGLMFARXLCWTL-UHFFFAOYSA-N -1 0 346.745 3.771 20 0 EHADRM CC(C)CC[C@H]1CCCCN1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000826844675 978949945 /nfs/dbraw/zinc/94/99/45/978949945.db2.gz FKWOZDBJXCXQMA-MRXNPFEDSA-N -1 0 348.443 3.973 20 0 EHADRM CC(C)CN(C(=O)Nc1ccc(OCCC(=O)[O-])cc1)C1CCCC1 ZINC000826865390 978950453 /nfs/dbraw/zinc/95/04/53/978950453.db2.gz NLVCMXISUVLFBY-UHFFFAOYSA-N -1 0 348.443 3.973 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc3c(c2)oc2ccccc23)C[C@@H]1C(=O)[O-] ZINC000828379329 978981046 /nfs/dbraw/zinc/98/10/46/978981046.db2.gz XZFFQVRNTXCISQ-NHYWBVRUSA-N -1 0 338.363 3.770 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc3c(c2)oc2ccccc23)C[C@@H]1C(=O)[O-] ZINC000828379325 978981082 /nfs/dbraw/zinc/98/10/82/978981082.db2.gz XZFFQVRNTXCISQ-ABAIWWIYSA-N -1 0 338.363 3.770 20 0 EHADRM CCc1ccc([C@@H](NC(=O)N2CCC[C@@H]2CC(=O)[O-])C(C)C)cc1 ZINC000830236683 979015186 /nfs/dbraw/zinc/01/51/86/979015186.db2.gz CTOQAGBPDJAAPL-AEFFLSMTSA-N -1 0 332.444 3.595 20 0 EHADRM CC[C@@H](C)c1nc(C)c(CC(=O)Nc2ccc(C(=O)[O-])s2)c(C)n1 ZINC001595015879 979066969 /nfs/dbraw/zinc/06/69/69/979066969.db2.gz OEZMGDMOYFNRDE-SECBINFHSA-N -1 0 347.440 3.548 20 0 EHADRM CC[C@H](C)c1nc(C)c(CC(=O)Nc2ccc(C(=O)[O-])s2)c(C)n1 ZINC001595015880 979067301 /nfs/dbraw/zinc/06/73/01/979067301.db2.gz OEZMGDMOYFNRDE-VIFPVBQESA-N -1 0 347.440 3.548 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1)c1ccc(F)cc1 ZINC001592682734 979107123 /nfs/dbraw/zinc/10/71/23/979107123.db2.gz RJAKWCMATOEZIZ-QWHCGFSZSA-N -1 0 344.386 3.939 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N1CCC(c2ccc(F)cc2)CC1 ZINC000833332857 979162397 /nfs/dbraw/zinc/16/23/97/979162397.db2.gz KCIDPSKJHUGNJN-UHFFFAOYSA-N -1 0 342.370 3.935 20 0 EHADRM O=C([O-])c1cccc(NCc2cn3cc(Cl)cc(Cl)c3n2)c1 ZINC000833331306 979162516 /nfs/dbraw/zinc/16/25/16/979162516.db2.gz AJNWCZAWIGNRIE-UHFFFAOYSA-N -1 0 336.178 3.951 20 0 EHADRM C[C@H](Oc1ccccc1Cl)C(=O)OCc1ccccc1C(=O)[O-] ZINC000833543405 979201937 /nfs/dbraw/zinc/20/19/37/979201937.db2.gz SGYVYTVOKAFDMY-NSHDSACASA-N -1 0 334.755 3.549 20 0 EHADRM CC[C@H](CC(=O)Oc1cc(C(=O)[O-])cc(C(=O)OC)c1)C(C)(C)C ZINC001595037224 979204955 /nfs/dbraw/zinc/20/49/55/979204955.db2.gz UNYOPFJWHZFKGZ-CYBMUJFWSA-N -1 0 336.384 3.539 20 0 EHADRM CC[C@@H](CC(=O)Nc1c2cccnc2n(C)c1C(=O)[O-])C(C)(C)C ZINC001595037227 979205128 /nfs/dbraw/zinc/20/51/28/979205128.db2.gz UPPCVQVBMMTAGR-NSHDSACASA-N -1 0 331.416 3.672 20 0 EHADRM CCC(CC)(CC(=O)[O-])C(=O)OCc1csc(C(C)(C)C)n1 ZINC001595048883 979269697 /nfs/dbraw/zinc/26/96/97/979269697.db2.gz RWJXJFSWANVYQB-UHFFFAOYSA-N -1 0 327.446 3.765 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1cccc(OCC(C)C)c1 ZINC001595050344 979278134 /nfs/dbraw/zinc/27/81/34/979278134.db2.gz PSFZOZPKAOPAHI-UHFFFAOYSA-N -1 0 336.432 3.876 20 0 EHADRM CCc1cccc(Oc2ccc(NC(=O)CCCC(=O)[O-])cn2)c1 ZINC000844244473 979389398 /nfs/dbraw/zinc/38/93/98/979389398.db2.gz MDTFOZGCIXVTAD-UHFFFAOYSA-N -1 0 328.368 3.630 20 0 EHADRM Cc1nc(NC(=O)CCCC(=O)[O-])sc1Cc1cccc(C)c1 ZINC000844244522 979389536 /nfs/dbraw/zinc/38/95/36/979389536.db2.gz MINAIXAQOVDWON-UHFFFAOYSA-N -1 0 332.425 3.544 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000844245172 979390569 /nfs/dbraw/zinc/39/05/69/979390569.db2.gz IWCFKRBZKHKJCT-UONOGXRCSA-N -1 0 331.412 3.745 20 0 EHADRM O=C([O-])CC1(CC(=O)NCCC[C@H]2CC2(Cl)Cl)CCCC1 ZINC000844267456 979396111 /nfs/dbraw/zinc/39/61/11/979396111.db2.gz CPZSERRQGIKXAW-NSHDSACASA-N -1 0 336.259 3.502 20 0 EHADRM CCC(CC)CC(=O)N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001595109457 979441897 /nfs/dbraw/zinc/44/18/97/979441897.db2.gz BJADIPRQYFYCFX-AWEZNQCLSA-N -1 0 331.334 3.774 20 0 EHADRM CCC(CC)CCCN(C)S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001595109531 979442954 /nfs/dbraw/zinc/44/29/54/979442954.db2.gz HBJXBACCNHASOZ-UHFFFAOYSA-N -1 0 341.473 3.530 20 0 EHADRM CCC(CC)CC(=O)Nc1cc(Br)ccc1C(=O)[O-] ZINC001595109871 979448522 /nfs/dbraw/zinc/44/85/22/979448522.db2.gz PJZIHNMMDSDRGN-UHFFFAOYSA-N -1 0 328.206 3.912 20 0 EHADRM CCC(CC)c1nnc(NC(=O)c2ccc(C(=O)[O-])cc2F)s1 ZINC001595122086 979500561 /nfs/dbraw/zinc/50/05/61/979500561.db2.gz NWAOMLLKNKOXPM-UHFFFAOYSA-N -1 0 337.376 3.531 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N2CC3(CCCC3)c3ccccc32)o1 ZINC000851600900 979520709 /nfs/dbraw/zinc/52/07/09/979520709.db2.gz HUHBVZSDESROBO-NTMALXAHSA-N -1 0 337.375 3.850 20 0 EHADRM C[C@H](CN(C(=O)c1cccc(SC(F)(F)F)c1)C1CC1)C(=O)[O-] ZINC000851601392 979520779 /nfs/dbraw/zinc/52/07/79/979520779.db2.gz SCOAHOLWBUZZEX-SECBINFHSA-N -1 0 347.358 3.624 20 0 EHADRM CC(C)c1ccc(C[C@@H](C)NC(=O)c2ccc(/C=C\C(=O)[O-])o2)cc1 ZINC000851604427 979528080 /nfs/dbraw/zinc/52/80/80/979528080.db2.gz XRVRPCRMNUPNDA-RBJHHQRMSA-N -1 0 341.407 3.862 20 0 EHADRM CC(C)[C@H](CNC(=O)c1ccc(/C=C/C(=O)[O-])o1)Cc1ccccc1 ZINC000851606636 979531764 /nfs/dbraw/zinc/53/17/64/979531764.db2.gz VKDRZTLHJDKRJY-SOGBHIHOSA-N -1 0 341.407 3.622 20 0 EHADRM CC[C@H](CCc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])s1 ZINC001595129754 979537358 /nfs/dbraw/zinc/53/73/58/979537358.db2.gz QGHAJTWVTKGYDU-CYBMUJFWSA-N -1 0 332.425 3.979 20 0 EHADRM C[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCC(=O)[O-] ZINC000852957579 979590213 /nfs/dbraw/zinc/59/02/13/979590213.db2.gz XHQKGIQJILAOLX-KRWDZBQOSA-N -1 0 339.435 3.901 20 0 EHADRM C/C(=C\C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-])c1cccs1 ZINC000856922406 979611887 /nfs/dbraw/zinc/61/18/87/979611887.db2.gz AJMAIDOWDSBNAD-GOFCXVBSSA-N -1 0 343.448 3.901 20 0 EHADRM CC/C(=C\C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccc(C)cc1 ZINC000856994206 979621246 /nfs/dbraw/zinc/62/12/46/979621246.db2.gz TUEQRMIJZGUBTM-OQZOHAQUSA-N -1 0 344.436 3.821 20 0 EHADRM C[C@@](Cc1ccc(F)cc1)(NC(=O)c1cccc(C2CC2)c1)C(=O)[O-] ZINC001592848949 979634781 /nfs/dbraw/zinc/63/47/81/979634781.db2.gz YKLSAYKFLYUOFO-FQEVSTJZSA-N -1 0 341.382 3.519 20 0 EHADRM CC[C@](CNC(=O)Nc1cc(F)ccc1C)(C(=O)[O-])c1ccccc1 ZINC001595153057 979650205 /nfs/dbraw/zinc/65/02/05/979650205.db2.gz SGOXIFDNULLWJK-LJQANCHMSA-N -1 0 344.386 3.688 20 0 EHADRM CC[C@H](CNC(=O)Nc1ccc2c(c1)C(C)(C)CC2(C)C)C(=O)[O-] ZINC001595155445 979666442 /nfs/dbraw/zinc/66/64/42/979666442.db2.gz VOTNQCABOHZGNK-GFCCVEGCSA-N -1 0 332.444 3.878 20 0 EHADRM CC[C@@H](CNC(=O)Nc1cccc(COC(C)(C)C)c1C)C(=O)[O-] ZINC001595155726 979668554 /nfs/dbraw/zinc/66/85/54/979668554.db2.gz YMQOIDOIUWMMNK-ZDUSSCGKSA-N -1 0 336.432 3.542 20 0 EHADRM Cc1ccc(C(=O)N(Cc2ccc(F)cc2F)C2CC2)cc1C(=O)[O-] ZINC000864102402 979686829 /nfs/dbraw/zinc/68/68/29/979686829.db2.gz UVHBSPDLVOOIPQ-UHFFFAOYSA-N -1 0 345.345 3.776 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@@H](c3ccccc3)CC2)oc1C(=O)[O-] ZINC000864107858 979696073 /nfs/dbraw/zinc/69/60/73/979696073.db2.gz ANMDUTNCTAXHNW-OAHLLOKOSA-N -1 0 327.380 3.696 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)NC[C@@H]2CCCC23CC3)cc1)C(=O)[O-] ZINC001592867923 979717081 /nfs/dbraw/zinc/71/70/81/979717081.db2.gz SQKCRIGZIVJXKC-HIFRSBDPSA-N -1 0 330.428 3.652 20 0 EHADRM CC(C)(C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)[C@@H]1CCCCO1 ZINC000864122751 979720327 /nfs/dbraw/zinc/72/03/27/979720327.db2.gz VOJMGMQGOUDKNQ-ZDUSSCGKSA-N -1 0 325.792 3.572 20 0 EHADRM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000864128969 979729656 /nfs/dbraw/zinc/72/96/56/979729656.db2.gz BCLSDNGCNDFZAW-WDYNUWJLSA-N -1 0 343.354 3.535 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)NCc2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC001592873837 979737862 /nfs/dbraw/zinc/73/78/62/979737862.db2.gz VTQHAEDXOHJTNJ-LBPRGKRZSA-N -1 0 346.814 3.925 20 0 EHADRM CC[C@@](CNc1nc(C)nc2c1CCCC2)(C(=O)[O-])c1ccccc1 ZINC001595172452 979742004 /nfs/dbraw/zinc/74/20/04/979742004.db2.gz DWJNVJCEEIUTOO-FQEVSTJZSA-N -1 0 339.439 3.508 20 0 EHADRM C[C@H](Cc1ccc(NC[C@@H]2C[C@]2(C)Br)cc1)C(=O)[O-] ZINC001592877299 979743379 /nfs/dbraw/zinc/74/33/79/979743379.db2.gz JHNYBNSKYLALNA-GMXABZIVSA-N -1 0 326.234 3.535 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)CCc1ccc(F)cc1 ZINC000864144612 979749775 /nfs/dbraw/zinc/74/97/75/979749775.db2.gz AQYXYGUAQKAMMC-GFCCVEGCSA-N -1 0 345.370 3.740 20 0 EHADRM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000864146901 979751889 /nfs/dbraw/zinc/75/18/89/979751889.db2.gz CGSMRMDIQHAPDZ-QKPHTXKDSA-N -1 0 337.419 3.764 20 0 EHADRM Cc1cc2c(CC(=O)N3CC[C@@H](C)C[C@H]3C(=O)[O-])csc2s1 ZINC000864147214 979753046 /nfs/dbraw/zinc/75/30/46/979753046.db2.gz IAGVHGMDSNXOEC-RNCFNFMXSA-N -1 0 337.466 3.525 20 0 EHADRM CC[C@@](CNc1nc2ccc(F)cc2o1)(C(=O)[O-])c1ccccc1 ZINC001595175691 979760925 /nfs/dbraw/zinc/76/09/25/979760925.db2.gz DKDKDWHPLRFVIX-SFHVURJKSA-N -1 0 328.343 3.811 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)NCc2ccc(C3CCC3)cc2)o1 ZINC000864157870 979769970 /nfs/dbraw/zinc/76/99/70/979769970.db2.gz VDDTWNJRCSRFCD-LUAWRHEFSA-N -1 0 325.364 3.575 20 0 EHADRM Cc1cc2occ(CC(=O)N[C@@H]3CC=C(C(=O)[O-])C3)c2cc1C(C)C ZINC000864162876 979781004 /nfs/dbraw/zinc/78/10/04/979781004.db2.gz ODURGSVBSLLQIJ-OAHLLOKOSA-N -1 0 341.407 3.697 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)N1[C@@H](C)CC(C(=O)[O-])C[C@@H]1C ZINC001592891884 979786353 /nfs/dbraw/zinc/78/63/53/979786353.db2.gz SEHVYGKLUHYDAT-AGIUHOORSA-N -1 0 337.847 3.619 20 0 EHADRM C[C@H](Cc1ccccc1)n1cccc1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001592892338 979791189 /nfs/dbraw/zinc/79/11/89/979791189.db2.gz VPDBLWXEGMKHFL-CQSZACIVSA-N -1 0 349.390 3.637 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001592896623 979798488 /nfs/dbraw/zinc/79/84/88/979798488.db2.gz QQISCMYBQNGDGI-YJYMSZOUSA-N -1 0 335.419 3.544 20 0 EHADRM CC(C)c1ccc(CN(C)C(=O)/C=C\c2cc(C(=O)[O-])co2)cc1 ZINC000864177376 979822262 /nfs/dbraw/zinc/82/22/62/979822262.db2.gz BTNIANXDCIJUTC-HJWRWDBZSA-N -1 0 327.380 3.773 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2C[C@@H](c3ccccc3)c3ccccc32)C1 ZINC000864178173 979823723 /nfs/dbraw/zinc/82/37/23/979823723.db2.gz YBJZOIINAUIETK-JZXOWHBKSA-N -1 0 335.403 3.666 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)c1cc(C(=O)[O-])ccc1Cl)C(F)(F)F ZINC000864178477 979824447 /nfs/dbraw/zinc/82/44/47/979824447.db2.gz BCEBBFUDBUSIRT-RDDDGLTNSA-N -1 0 337.725 3.745 20 0 EHADRM Cc1ccc(N(CC2CC2)C(=O)Cc2ccccc2C(=O)[O-])cc1F ZINC000864178497 979824762 /nfs/dbraw/zinc/82/47/62/979824762.db2.gz BQOJHLMJNKKZOU-UHFFFAOYSA-N -1 0 341.382 3.818 20 0 EHADRM Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccccc3F)C2)cc1C(=O)[O-] ZINC000864178625 979824852 /nfs/dbraw/zinc/82/48/52/979824852.db2.gz HFBAIQVBBKHFNZ-HDJSIYSDSA-N -1 0 327.355 3.508 20 0 EHADRM Cc1ccc(N(CC2CC2)C(=O)c2cccc(C(=O)[O-])c2)cc1F ZINC000864179462 979826680 /nfs/dbraw/zinc/82/66/80/979826680.db2.gz XBKPBRKPKDOHKK-UHFFFAOYSA-N -1 0 327.355 3.889 20 0 EHADRM CC(C)n1ccc(C[C@@H](C)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)n1 ZINC001592902487 979827360 /nfs/dbraw/zinc/82/73/60/979827360.db2.gz IRAOBSIQANELFT-GFCCVEGCSA-N -1 0 326.400 3.687 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC(c3cccc(Cl)c3)CC2)C1 ZINC000864180178 979828031 /nfs/dbraw/zinc/82/80/31/979828031.db2.gz MDGUOTZMTVPUJZ-LSDHHAIUSA-N -1 0 335.831 3.547 20 0 EHADRM C[C@@H](Cc1ccsc1)N(C)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001592905961 979839798 /nfs/dbraw/zinc/83/97/98/979839798.db2.gz JNRGLWNYEQHUIK-JTQLQIEISA-N -1 0 336.388 3.680 20 0 EHADRM C[C@H](Cc1ccsc1)NC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001592906159 979843339 /nfs/dbraw/zinc/84/33/39/979843339.db2.gz LVMTXQCWRDWJGG-CHWSQXEVSA-N -1 0 346.452 3.764 20 0 EHADRM C[C@@H](Cc1cncc2ccccc21)C(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC001592909289 979872545 /nfs/dbraw/zinc/87/25/45/979872545.db2.gz SUXMZXYOYNFHKL-LIRRHRJNSA-N -1 0 349.386 3.783 20 0 EHADRM C[C@H](Cn1ccc2ccccc21)C(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC001592919180 979915025 /nfs/dbraw/zinc/91/50/25/979915025.db2.gz YVTGNFDRCXXZTI-RDTXWAMCSA-N -1 0 337.375 3.647 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)O[C@H](C)c1nc(C(=O)[O-])co1 ZINC001595212216 979997692 /nfs/dbraw/zinc/99/76/92/979997692.db2.gz YIQVSTVRWPCNDO-TZMCWYRMSA-N -1 0 331.368 3.554 20 0 EHADRM CC(F)(F)CCC(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001592939244 980005666 /nfs/dbraw/zinc/00/56/66/980005666.db2.gz VKTPCAXLLOVDMS-LLVKDONJSA-N -1 0 340.244 3.967 20 0 EHADRM CC[C@H](Cc1ccccc1)N(C)C(=O)Nc1cnc(C)c(C(=O)[O-])c1 ZINC001595213790 980010718 /nfs/dbraw/zinc/01/07/18/980010718.db2.gz YGVIOWYXCJEARY-MRXNPFEDSA-N -1 0 341.411 3.573 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001595219041 980036470 /nfs/dbraw/zinc/03/64/70/980036470.db2.gz MXUGPSMTMLQGNQ-INIZCTEOSA-N -1 0 331.456 3.858 20 0 EHADRM CCC(F)(F)C(C)(C)CNC(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001595221467 980052984 /nfs/dbraw/zinc/05/29/84/980052984.db2.gz HLDQAZNDXIYPNG-UHFFFAOYSA-N -1 0 344.358 3.586 20 0 EHADRM CCC(F)(F)c1ccccc1NC(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001595226708 980077472 /nfs/dbraw/zinc/07/74/72/980077472.db2.gz WAQCWYVRVXAJCQ-GFCCVEGCSA-N -1 0 340.370 3.811 20 0 EHADRM CC[C@](NC(=O)C[C@@H]1CC[C@H](C)C1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595238319 980154146 /nfs/dbraw/zinc/15/41/46/980154146.db2.gz JYXIBOHXLSRWNY-VEVIJQCQSA-N -1 0 337.847 3.972 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(C)c(-c3ncco3)c2)c(C)o1 ZINC000182818320 1032098594 /nfs/dbraw/zinc/09/85/94/1032098594.db2.gz ZGSXFVTUAVQDCK-UHFFFAOYSA-N -1 0 332.381 3.661 20 0 EHADRM C[C@@H](C(=O)N[C@@H](C)[C@H](Cc1ccccc1)C(=O)[O-])[C@H](C)C(C)(C)C ZINC001592990577 980180790 /nfs/dbraw/zinc/18/07/90/980180790.db2.gz RCKHUWXSGFFXFC-AESZEHBQSA-N -1 0 333.472 3.753 20 0 EHADRM C[C@H]([C@H](C)C(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1)C(C)(C)C ZINC001592990810 980182462 /nfs/dbraw/zinc/18/24/62/980182462.db2.gz SLLBMOPJLSFTAD-MJBXVCDLSA-N -1 0 335.444 3.646 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2ccc([C@H](F)C(F)(F)F)cc2)CCC1 ZINC000887394100 980221520 /nfs/dbraw/zinc/22/15/20/980221520.db2.gz DCPIRHDTADSEIB-LBPRGKRZSA-N -1 0 348.296 3.778 20 0 EHADRM CC[C@H](NC(=O)Nc1cc(C(=O)[O-])cc2cccnc21)[C@H]1CC1(C)C ZINC001595252616 980221911 /nfs/dbraw/zinc/22/19/11/980221911.db2.gz MVEHJQCBQHSDNQ-KGLIPLIRSA-N -1 0 341.411 3.879 20 0 EHADRM Cc1nn(C(C)C)c(C)c1CNc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000900039408 980239012 /nfs/dbraw/zinc/23/90/12/980239012.db2.gz YCENYOOAQMJGJI-CYBMUJFWSA-N -1 0 329.444 3.956 20 0 EHADRM CCc1oc(CNc2cccc(NC(=O)C3CC3)c2)cc1C(=O)[O-] ZINC000901415084 980260815 /nfs/dbraw/zinc/26/08/15/980260815.db2.gz COWACGPYXNEYPJ-UHFFFAOYSA-N -1 0 328.368 3.501 20 0 EHADRM CC(C)[C@H](NC(=O)c1sc2cccc(F)c2c1Cl)C(=O)[O-] ZINC000901428827 980275368 /nfs/dbraw/zinc/27/53/68/980275368.db2.gz OSFIVCPUVSQSRR-NSHDSACASA-N -1 0 329.780 3.533 20 0 EHADRM CC[C@](NC(=O)c1ccc(NC)cc1Cl)(C(=O)[O-])c1ccccc1 ZINC001595268979 980281690 /nfs/dbraw/zinc/28/16/90/980281690.db2.gz BIAZLYJTLYNIBM-GOSISDBHSA-N -1 0 346.814 3.502 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)CCc2ccc(Cl)c(F)c2)C1 ZINC000901575169 980389478 /nfs/dbraw/zinc/38/94/78/980389478.db2.gz MPJCULGJFYUCEN-ZDUSSCGKSA-N -1 0 341.810 3.515 20 0 EHADRM O=C([O-])c1ccc(CNCc2cc(Cl)ccc2OCC2CC2)o1 ZINC000901654572 980430807 /nfs/dbraw/zinc/43/08/07/980430807.db2.gz JYDAVQJJUSNEBZ-UHFFFAOYSA-N -1 0 335.787 3.710 20 0 EHADRM COCc1ccccc1/C=C(/C)CNc1cccc(CC(=O)[O-])c1 ZINC000901660378 980431550 /nfs/dbraw/zinc/43/15/50/980431550.db2.gz BFVYEVZFQAPKIY-GDNBJRDFSA-N -1 0 325.408 3.976 20 0 EHADRM CC[C@@](NCc1ncccc1Cl)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595306053 980454303 /nfs/dbraw/zinc/45/43/03/980454303.db2.gz REPNWZGGWCBACB-INIZCTEOSA-N -1 0 339.222 3.868 20 0 EHADRM CC[C@H](Nc1ccc(OC(F)F)c(OC)c1)C1(C(=O)[O-])CCC1 ZINC001595318230 980499381 /nfs/dbraw/zinc/49/93/81/980499381.db2.gz IBSHGGVJLUFTBC-ZDUSSCGKSA-N -1 0 329.343 3.742 20 0 EHADRM CC[C@H](Nc1cccc([C@H]2CCC(=O)N2)c1)c1ccc(C(=O)[O-])cc1 ZINC001595318902 980503413 /nfs/dbraw/zinc/50/34/13/980503413.db2.gz SRMDARVAXSDEJT-ZWKOTPCHSA-N -1 0 338.407 3.899 20 0 EHADRM CC(C)n1ccnc1CNc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC000901775376 980506468 /nfs/dbraw/zinc/50/64/68/980506468.db2.gz MOLVKLMCXUDWNK-UHFFFAOYSA-N -1 0 342.443 3.765 20 0 EHADRM Cc1cnc(CN[C@@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])s1 ZINC000901849458 980574504 /nfs/dbraw/zinc/57/45/04/980574504.db2.gz WBHIYRTZGPDZJI-HOCLYGCPSA-N -1 0 330.453 3.505 20 0 EHADRM CC[C@@H](OC(=O)CC1(CC(=O)[O-])CCCC1)C(=O)c1ccccc1 ZINC001595335756 980590371 /nfs/dbraw/zinc/59/03/71/980590371.db2.gz FXLSIFLMNAUORO-OAHLLOKOSA-N -1 0 332.396 3.616 20 0 EHADRM CC[C@@H](OC(=O)c1cc(C(=O)[O-])nn1C)c1ccc(C(C)(C)C)cc1 ZINC001595344824 980629138 /nfs/dbraw/zinc/62/91/38/980629138.db2.gz OPPBUNKXLVQSCK-MRXNPFEDSA-N -1 0 344.411 3.724 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001595354911 980696864 /nfs/dbraw/zinc/69/68/64/980696864.db2.gz HWHAGJDBMXGMHZ-GLJUWKHASA-N -1 0 345.439 3.648 20 0 EHADRM CNC(=O)c1cccc(N[C@H]2CCC[C@H](CCCC(=O)[O-])C2)c1C ZINC000902104167 980735811 /nfs/dbraw/zinc/73/58/11/980735811.db2.gz JDENIMNBGUTXOK-CABCVRRESA-N -1 0 332.444 3.580 20 0 EHADRM O=C([O-])c1ccc(CNc2ccc(C(=O)NC3CCCC3)cc2)cc1 ZINC000902106460 980737258 /nfs/dbraw/zinc/73/72/58/980737258.db2.gz WILBYQIQXUKWKY-UHFFFAOYSA-N -1 0 338.407 3.669 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC001595359061 980737560 /nfs/dbraw/zinc/73/75/60/980737560.db2.gz PKIQRJNBNKNJKH-HNNXBMFYSA-N -1 0 331.393 3.600 20 0 EHADRM Cc1ccc(NCc2csc(C(=O)[O-])c2)cc1C(=O)NC(C)C ZINC000902237603 980795405 /nfs/dbraw/zinc/79/54/05/980795405.db2.gz GBNNEXYJNACOKM-UHFFFAOYSA-N -1 0 332.425 3.505 20 0 EHADRM CCC1(CC)CCCN(C(=O)NCc2cc(C(=O)[O-])c(C)o2)CC1 ZINC001595374862 980888829 /nfs/dbraw/zinc/88/88/29/980888829.db2.gz ZKMOXJOZXBTFFI-UHFFFAOYSA-N -1 0 336.432 3.788 20 0 EHADRM CCC1(CC)CCCN1C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001595375121 980892127 /nfs/dbraw/zinc/89/21/27/980892127.db2.gz SDEOMYXGNXPLAB-UHFFFAOYSA-N -1 0 326.343 3.850 20 0 EHADRM CCC1(CC)CCN(C(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)C1 ZINC001595375213 980893090 /nfs/dbraw/zinc/89/30/90/980893090.db2.gz YTILSYDROXSBEH-UHFFFAOYSA-N -1 0 339.461 3.549 20 0 EHADRM COCc1cc(Cl)ccc1NCc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000902451914 980893783 /nfs/dbraw/zinc/89/37/83/980893783.db2.gz WADGTQCLXPWNJQ-LBPRGKRZSA-N -1 0 349.814 3.950 20 0 EHADRM CCC1(CC)CN(C(=O)c2csc(C(=O)[O-])n2)c2ccccc21 ZINC001595375305 980894422 /nfs/dbraw/zinc/89/44/22/980894422.db2.gz DODOPUJUJQIFCB-UHFFFAOYSA-N -1 0 330.409 3.560 20 0 EHADRM CCC1(CC)CN(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)c2ccccc21 ZINC001595375870 980900769 /nfs/dbraw/zinc/90/07/69/980900769.db2.gz XNYYKWHVXJYWBX-CKNLXJGOSA-N -1 0 342.439 3.527 20 0 EHADRM CSc1ccc(NCc2cccc3c2CCOC3)cc1C(=O)[O-] ZINC000902571006 980939013 /nfs/dbraw/zinc/93/90/13/980939013.db2.gz ZISFZWNQLVFKNI-UHFFFAOYSA-N -1 0 329.421 3.792 20 0 EHADRM CC[C@@H]1[C@@H](C)CCN1C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001595404956 980984249 /nfs/dbraw/zinc/98/42/49/980984249.db2.gz NMOSJQWHFBDQAP-SWLSCSKDSA-N -1 0 336.457 3.906 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C[C@H]1CCC3(CCCCCC3)O1)C2 ZINC000903906416 981031339 /nfs/dbraw/zinc/03/13/39/981031339.db2.gz JNIJPUITDSVOTQ-GOSISDBHSA-N -1 0 329.440 3.972 20 0 EHADRM CCC1CCC(NC(=O)C/C=C\c2ccc(C)cc2)(C(=O)[O-])CC1 ZINC001595420793 981038432 /nfs/dbraw/zinc/03/84/32/981038432.db2.gz ILCHFGHZVIDMCN-PLNGDYQASA-N -1 0 329.440 3.938 20 0 EHADRM CCC1CCC(NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)(C(=O)[O-])CC1 ZINC001595422370 981042299 /nfs/dbraw/zinc/04/22/99/981042299.db2.gz URWKKCBJYOKAGG-GBUSVRQHSA-N -1 0 329.440 3.504 20 0 EHADRM CCC1CCC(NC(=O)c2cc3cc(C)ccc3[nH]2)(C(=O)[O-])CC1 ZINC001595424773 981043447 /nfs/dbraw/zinc/04/34/47/981043447.db2.gz NTXOJNAIJZJYJK-UHFFFAOYSA-N -1 0 328.412 3.630 20 0 EHADRM CC[C@H]1CCCC[C@H]1N(C)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001595445141 981091136 /nfs/dbraw/zinc/09/11/36/981091136.db2.gz WOPWYJPAIKHPDK-DOTOQJQBSA-N -1 0 332.444 3.538 20 0 EHADRM CC[C@@H]1CCCC[C@H]1OCC(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1 ZINC001595447710 981096298 /nfs/dbraw/zinc/09/62/98/981096298.db2.gz JGCDUEVTDLTFLZ-RHSMWYFYSA-N -1 0 348.439 3.940 20 0 EHADRM CC[C@H]1CCC[C@H]1NC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001595456445 981125903 /nfs/dbraw/zinc/12/59/03/981125903.db2.gz QGXGTMQITJIQSB-GXTWGEPZSA-N -1 0 334.416 3.872 20 0 EHADRM CC[C@@H]1CCCc2sc(NC(=O)NCC(C)(C)CC(=O)[O-])nc21 ZINC001595460051 981141819 /nfs/dbraw/zinc/14/18/19/981141819.db2.gz QSWVLWRAKSHJGU-SNVBAGLBSA-N -1 0 339.461 3.595 20 0 EHADRM CC[C@@H]1CCCc2sc(NC(=O)c3ccc(C(=O)[O-])cc3)nc21 ZINC001595460391 981143755 /nfs/dbraw/zinc/14/37/55/981143755.db2.gz VNAXGZYKZAFKIH-SNVBAGLBSA-N -1 0 330.409 3.924 20 0 EHADRM COc1c(NC(=O)[C@@H](C)CCc2ccc(F)cc2)cccc1C(=O)[O-] ZINC000906499999 981170143 /nfs/dbraw/zinc/17/01/43/981170143.db2.gz ISWDDFBDOMSCBI-LBPRGKRZSA-N -1 0 345.370 3.740 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)cc1 ZINC000907557275 981188734 /nfs/dbraw/zinc/18/87/34/981188734.db2.gz LKTBZEXTVOTFFT-YLJYHZDGSA-N -1 0 339.391 3.671 20 0 EHADRM CC[C@@H]1CN(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)CCS1 ZINC001595474765 981189166 /nfs/dbraw/zinc/18/91/66/981189166.db2.gz IVSWOVPODVFGIQ-SECBINFHSA-N -1 0 346.811 3.537 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1ccccc1C1(C)CC1 ZINC000907586356 981197676 /nfs/dbraw/zinc/19/76/76/981197676.db2.gz NYYKUTJGEQGQDB-UHFFFAOYSA-N -1 0 339.391 3.762 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc(F)c3occc32)C1 ZINC000907628794 981201870 /nfs/dbraw/zinc/20/18/70/981201870.db2.gz NZDNJAJDIFAEBI-LLVKDONJSA-N -1 0 333.359 3.535 20 0 EHADRM CC(C)Cc1ccc(C(=O)N[C@@H](C)c2ncc(C(=O)[O-])s2)s1 ZINC000907731131 981212109 /nfs/dbraw/zinc/21/21/09/981212109.db2.gz NOOCTRCUOLTTHA-VIFPVBQESA-N -1 0 338.454 3.592 20 0 EHADRM CC[C@@H]1CN(Cc2cc(C(=O)[O-])c3n2CCCC3)c2ccccc2O1 ZINC001595486967 981231230 /nfs/dbraw/zinc/23/12/30/981231230.db2.gz GOHDFBSJECLVJP-OAHLLOKOSA-N -1 0 340.423 3.700 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)c2sccc2C(F)F)CCC1 ZINC000908332129 981299811 /nfs/dbraw/zinc/29/98/11/981299811.db2.gz BSBKOZZESZVBMV-UHFFFAOYSA-N -1 0 331.384 3.841 20 0 EHADRM O=C(/C=C/c1ccc2[nH]ccc2c1)NCCCCC1(C(=O)[O-])CCC1 ZINC000908332502 981300448 /nfs/dbraw/zinc/30/04/48/981300448.db2.gz HYMDMGPUKZNUCU-FNORWQNLSA-N -1 0 340.423 3.723 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)[C@@]2(c3ccccc3)C[C@H](F)C2)CCC1 ZINC000908332427 981300492 /nfs/dbraw/zinc/30/04/92/981300492.db2.gz FTPQTSNQILMFRS-UKIBZPOASA-N -1 0 347.430 3.598 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)C2(c3cccc(Cl)c3)CC2)CCC1 ZINC000908342370 981305127 /nfs/dbraw/zinc/30/51/27/981305127.db2.gz IQDYXTYICZQBKS-UHFFFAOYSA-N -1 0 349.858 3.913 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)CCC1 ZINC000908340571 981305291 /nfs/dbraw/zinc/30/52/91/981305291.db2.gz DHZKMBKSJWVPEZ-QWHCGFSZSA-N -1 0 349.393 3.897 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)CCc2ccc(Cl)cc2)CCC1 ZINC000908342793 981305870 /nfs/dbraw/zinc/30/58/70/981305870.db2.gz LVHRMPWZNCSLDK-UHFFFAOYSA-N -1 0 337.847 3.814 20 0 EHADRM O=C([O-])Cc1c2ccccc2[nH]c1C(=O)NC1(C2CCCCC2)CC1 ZINC000908350981 981306125 /nfs/dbraw/zinc/30/61/25/981306125.db2.gz DLNWLHAKISXCLW-UHFFFAOYSA-N -1 0 340.423 3.638 20 0 EHADRM Cc1cocc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000908415143 981313849 /nfs/dbraw/zinc/31/38/49/981313849.db2.gz QPFIITPPHJKKBZ-ZDUSSCGKSA-N -1 0 341.285 3.553 20 0 EHADRM COc1c(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cccc1C(=O)[O-] ZINC000908506174 981319340 /nfs/dbraw/zinc/31/93/40/981319340.db2.gz ADAVIXFBBNFSAA-UWVGGRQHSA-N -1 0 345.317 3.701 20 0 EHADRM COc1c(NC(=O)[C@@H](C)Cc2ccc(C)cc2)cccc1C(=O)[O-] ZINC000908502309 981319372 /nfs/dbraw/zinc/31/93/72/981319372.db2.gz WXFHEJKKCNLKBJ-ZDUSSCGKSA-N -1 0 327.380 3.519 20 0 EHADRM CCCc1c(C(=O)Nc2ccc(C(=O)[O-])cc2)cnn1C1CCCC1 ZINC000908673659 981336757 /nfs/dbraw/zinc/33/67/57/981336757.db2.gz PCPQQHJJWRLDJQ-UHFFFAOYSA-N -1 0 341.411 3.901 20 0 EHADRM CC/C=C/CCS[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001595520786 981337325 /nfs/dbraw/zinc/33/73/25/981337325.db2.gz KBUCITYLLBZJKT-PCAWENJQSA-N -1 0 325.455 3.641 20 0 EHADRM O=C([O-])c1nc(C(=O)Nc2ccccc2Cc2ccccc2)cs1 ZINC000908696340 981340389 /nfs/dbraw/zinc/34/03/89/981340389.db2.gz KTFYCZXXLWAIFG-UHFFFAOYSA-N -1 0 338.388 3.684 20 0 EHADRM CCCC(=CC(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1)CCC ZINC001595522157 981343717 /nfs/dbraw/zinc/34/37/17/981343717.db2.gz KHYXKVZINDADSJ-UHFFFAOYSA-N -1 0 330.428 3.800 20 0 EHADRM O=C([O-])C12CCC(C(=O)NCCCSc3ccccc3)(CC1)CC2 ZINC000908725994 981348430 /nfs/dbraw/zinc/34/84/30/981348430.db2.gz LAUQGRJNCLYXHH-UHFFFAOYSA-N -1 0 347.480 3.710 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1ccc(C)cc1OCc1ccccc1 ZINC000908727249 981348963 /nfs/dbraw/zinc/34/89/63/981348963.db2.gz HMVLECPTWKJBOQ-OAHLLOKOSA-N -1 0 327.380 3.623 20 0 EHADRM CCCCOc1ccc(NC(=O)c2ccoc2CC(=O)[O-])c(C)c1 ZINC000908744311 981351975 /nfs/dbraw/zinc/35/19/75/981351975.db2.gz FSJPTFUGYIXMMN-UHFFFAOYSA-N -1 0 331.368 3.646 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)c2ccccc2CCC(=O)[O-])c1C ZINC000908805757 981366026 /nfs/dbraw/zinc/36/60/26/981366026.db2.gz CUFKNAMIPBXZAJ-HNNXBMFYSA-N -1 0 325.408 3.812 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)c1ccoc1CC(=O)[O-] ZINC000908809550 981366843 /nfs/dbraw/zinc/36/68/43/981366843.db2.gz UBCZPMZAPXAZQL-UHFFFAOYSA-N -1 0 337.759 3.600 20 0 EHADRM Cc1c(CSC(C)C)cccc1NC(=O)c1cc(C(=O)[O-])on1 ZINC000908828280 981369315 /nfs/dbraw/zinc/36/93/15/981369315.db2.gz NTWDQFMVDCYHNQ-UHFFFAOYSA-N -1 0 334.397 3.575 20 0 EHADRM CCC[C@@](C)(NC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1)C(=O)[O-] ZINC000908867180 981380882 /nfs/dbraw/zinc/38/08/82/981380882.db2.gz PGOYWQLDJUAQIT-MEBBXXQBSA-N -1 0 331.334 3.726 20 0 EHADRM CC(C)c1ccc2occ(C(=O)N3CCSC[C@@H]3CC(=O)[O-])c2c1 ZINC000909008561 981402315 /nfs/dbraw/zinc/40/23/15/981402315.db2.gz CHUFRUULTZIZLJ-ZDUSSCGKSA-N -1 0 347.436 3.589 20 0 EHADRM CSc1ccccc1CC(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000909068030 981410370 /nfs/dbraw/zinc/41/03/70/981410370.db2.gz IRKYEWVDDMDHMY-ACJLOTCBSA-N -1 0 343.448 3.529 20 0 EHADRM CCC[C@](C)(NC(=O)CCC(=O)c1ccc2ccccc2c1)C(=O)[O-] ZINC001595546905 981415445 /nfs/dbraw/zinc/41/54/45/981415445.db2.gz HYAAEAFUYUEMOO-FQEVSTJZSA-N -1 0 341.407 3.562 20 0 EHADRM CCC[C@](C)(NC(=O)CCOc1cc(C)ccc1C(C)C)C(=O)[O-] ZINC001595547029 981416206 /nfs/dbraw/zinc/41/62/06/981416206.db2.gz JIKTUXDQKCPYPY-IBGZPJMESA-N -1 0 335.444 3.647 20 0 EHADRM CCC[C@@](C)(NC(=O)CCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC001595547832 981423675 /nfs/dbraw/zinc/42/36/75/981423675.db2.gz XSWNTWZLDSQZAD-OAHLLOKOSA-N -1 0 332.227 3.686 20 0 EHADRM CC(C)CCCC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000909135431 981425351 /nfs/dbraw/zinc/42/53/51/981425351.db2.gz YLJMHBCAOMPDMU-UHFFFAOYSA-N -1 0 328.412 3.577 20 0 EHADRM CCCc1nc(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)co1 ZINC000909225008 981437387 /nfs/dbraw/zinc/43/73/87/981437387.db2.gz YJGYLXAIFNGANV-UHFFFAOYSA-N -1 0 348.424 3.587 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)C2(C(F)(F)F)CCC2)c1 ZINC000909230053 981438362 /nfs/dbraw/zinc/43/83/62/981438362.db2.gz PWTFYOXEXFTDNJ-UHFFFAOYSA-N -1 0 347.358 3.676 20 0 EHADRM O=C([O-])[C@H](CNC(=O)[C@H]1CCC[C@@H]1c1ccccc1)c1ccccc1 ZINC000909293432 981461480 /nfs/dbraw/zinc/46/14/80/981461480.db2.gz IWLDFQXHSUJIED-CEXWTWQISA-N -1 0 337.419 3.555 20 0 EHADRM CCC/C(C)=C\C(=O)N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001595567330 981467174 /nfs/dbraw/zinc/46/71/74/981467174.db2.gz YLHPZWCUKBLZJE-CMUBDUJZSA-N -1 0 329.318 3.694 20 0 EHADRM CCC[C@H](C)[C@@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001595571060 981477540 /nfs/dbraw/zinc/47/75/40/981477540.db2.gz IDJYQNQKCXRCIH-WFASDCNBSA-N -1 0 334.416 3.826 20 0 EHADRM CCC[C@@H](C)CC(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001595571504 981479469 /nfs/dbraw/zinc/47/94/69/981479469.db2.gz RVAJUWLPHGLBLC-SJKOYZFVSA-N -1 0 325.836 3.668 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)N1CCSC2(CCCCC2)C1 ZINC000909412198 981487510 /nfs/dbraw/zinc/48/75/10/981487510.db2.gz JCCZVJSGQAQTSZ-UHFFFAOYSA-N -1 0 347.480 3.596 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1c[nH]c2ccccc21 ZINC000909480925 981505751 /nfs/dbraw/zinc/50/57/51/981505751.db2.gz CRVPRONQELKKAG-HUUCEWRRSA-N -1 0 342.439 3.765 20 0 EHADRM CCC[C@H](C)c1cc(NC(=O)Nc2cccc(C(=O)[O-])c2OC)n[nH]1 ZINC001595579510 981508358 /nfs/dbraw/zinc/50/83/58/981508358.db2.gz QLJKEJTWKXDXNK-JTQLQIEISA-N -1 0 346.387 3.664 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)N2CCCC[C@@H]2CC(=O)[O-])c1 ZINC000909500539 981512634 /nfs/dbraw/zinc/51/26/34/981512634.db2.gz VAIJGUIVXYHPJO-NVXWUHKLSA-N -1 0 347.455 3.825 20 0 EHADRM COc1ccc2c(c1)[C@H](C(=O)Nc1cc(C(=O)[O-])c(C)cc1C)CC2 ZINC000909513840 981521527 /nfs/dbraw/zinc/52/15/27/981521527.db2.gz VCGICCPSIHZMRN-OAHLLOKOSA-N -1 0 339.391 3.679 20 0 EHADRM O=C([O-])c1csc(NC(=O)C[C@H](c2ccc(O)cc2)C2CC2)c1 ZINC000909515359 981522207 /nfs/dbraw/zinc/52/22/07/981522207.db2.gz JZLSSQGFSGPKEA-AWEZNQCLSA-N -1 0 331.393 3.674 20 0 EHADRM CCC[C@H](CC)C(=O)N[C@@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001595586209 981530596 /nfs/dbraw/zinc/53/05/96/981530596.db2.gz SBUWZZMHJZXVJR-LESCRADOSA-N -1 0 331.456 3.892 20 0 EHADRM CCC[C@@H](CC1CCCC1)C(=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC001595587143 981539248 /nfs/dbraw/zinc/53/92/48/981539248.db2.gz CLPCZFDDFPGXKY-KRWDZBQOSA-N -1 0 347.455 3.876 20 0 EHADRM Cc1ccsc1CCCC(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000909576773 981546333 /nfs/dbraw/zinc/54/63/33/981546333.db2.gz DKOVTDFAEHLKRX-AWEZNQCLSA-N -1 0 329.421 3.594 20 0 EHADRM CCC[C@@H](CCc1ccccc1)NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001595590846 981546352 /nfs/dbraw/zinc/54/63/52/981546352.db2.gz DBQGOTUXOODOTG-OKZBNKHCSA-N -1 0 346.471 3.731 20 0 EHADRM COCCC[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000909693119 981572015 /nfs/dbraw/zinc/57/20/15/981572015.db2.gz GXNGQYGYPWQKBV-KDOFPFPSSA-N -1 0 343.423 3.535 20 0 EHADRM CCCN(CCc1cccs1)C(=O)c1ccccc1CCC(=O)[O-] ZINC000909729254 981582717 /nfs/dbraw/zinc/58/27/17/981582717.db2.gz NGOUFPUEIRYYIR-UHFFFAOYSA-N -1 0 345.464 3.860 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(C)C ZINC001594747080 981637495 /nfs/dbraw/zinc/63/74/95/981637495.db2.gz GISDEILPQAQMOU-RHSMWYFYSA-N -1 0 325.836 3.524 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])c(Cl)c1 ZINC000909819644 981641315 /nfs/dbraw/zinc/64/13/15/981641315.db2.gz KXRRFMJCLKSPPT-XJKSGUPXSA-N -1 0 345.826 3.710 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2ccccc2OC2CC2)c1 ZINC000909832744 981650513 /nfs/dbraw/zinc/65/05/13/981650513.db2.gz GFPQQWKGWBHCOL-LBPRGKRZSA-N -1 0 325.364 3.668 20 0 EHADRM Cc1sc(CC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)nc1C(C)C ZINC000909832758 981650635 /nfs/dbraw/zinc/65/06/35/981650635.db2.gz GHUQHNBWANUVTL-NSHDSACASA-N -1 0 346.452 3.944 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)CCC[C@@H](O)c2ccccc2)c1 ZINC000909835333 981654276 /nfs/dbraw/zinc/65/42/76/981654276.db2.gz RQDWOMHOEZEJME-KBXCAEBGSA-N -1 0 341.407 3.717 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)NCc1ccc(C)cc1O[C@@H](C)CC(C)C ZINC001594756067 981671543 /nfs/dbraw/zinc/67/15/43/981671543.db2.gz DTYDZWNHGBBKTR-GOEBONIOSA-N -1 0 335.444 3.535 20 0 EHADRM CCC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(C(=O)[O-])c(OC)c1 ZINC001595621784 981703016 /nfs/dbraw/zinc/70/30/16/981703016.db2.gz OLHNPMYEZXLZHV-ZBFHGGJFSA-N -1 0 348.443 3.552 20 0 EHADRM Cc1oc2ccccc2c1C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000909955614 981710503 /nfs/dbraw/zinc/71/05/03/981710503.db2.gz ANAXGGMUXUCGLO-IJEWVQPXSA-N -1 0 341.407 3.847 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1C[C@@H](c2ccc(C)cc2)C[C@@H]1C ZINC000910012581 981734226 /nfs/dbraw/zinc/73/42/26/981734226.db2.gz RKCRZZSOZTWBGV-ZFWWWQNUSA-N -1 0 327.380 3.613 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1ccc2nc(C)oc2c1)c1ccccc1 ZINC001594770804 981742135 /nfs/dbraw/zinc/74/21/35/981742135.db2.gz NXRKYTZNWBYZSF-INIZCTEOSA-N -1 0 338.363 3.646 20 0 EHADRM CC[C@@H](C(=O)OCc1cc(C(=O)[O-])ccc1C)c1c(C)noc1C ZINC001594773617 981748748 /nfs/dbraw/zinc/74/87/48/981748748.db2.gz BTVKCFMWCXBPDI-OAHLLOKOSA-N -1 0 331.368 3.535 20 0 EHADRM CC[C@H](C(=O)O[C@H](C(=O)[O-])c1ccccc1F)c1ccc(OC)cc1 ZINC001594775346 981758410 /nfs/dbraw/zinc/75/84/10/981758410.db2.gz NRMOWXZMCMUIER-YOEHRIQHSA-N -1 0 346.354 3.697 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)Cc1ccc(F)c(Cl)c1 ZINC001594782106 981789144 /nfs/dbraw/zinc/78/91/44/981789144.db2.gz NBVFUMVPNVUATC-QGZVFWFLSA-N -1 0 341.810 3.514 20 0 EHADRM CN(C(=O)c1ccoc1CC(=O)[O-])[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000910250217 981823543 /nfs/dbraw/zinc/82/35/43/981823543.db2.gz DGNPARSUKHGOBJ-DOTOQJQBSA-N -1 0 341.407 3.705 20 0 EHADRM CCCC[C@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1Br ZINC001595631130 981832935 /nfs/dbraw/zinc/83/29/35/981832935.db2.gz CXIVILOUDKTCNE-JTQLQIEISA-N -1 0 342.233 3.590 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(C(C)C)nc1C ZINC001594792708 981862291 /nfs/dbraw/zinc/86/22/91/981862291.db2.gz PACBDQFWKKSCGC-LJQANCHMSA-N -1 0 332.444 3.619 20 0 EHADRM CCCC[C@H](NC(=O)[C@@H](C)Oc1cccc(C(C)(C)C)c1)C(=O)[O-] ZINC001595634066 981881819 /nfs/dbraw/zinc/88/18/19/981881819.db2.gz FQGAOVRJNOJBQI-CJNGLKHVSA-N -1 0 335.444 3.511 20 0 EHADRM CCCC[C@@H](NC(=O)CCCOc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001595635542 981905357 /nfs/dbraw/zinc/90/53/57/981905357.db2.gz ZZUOONPPXDACAB-QGZVFWFLSA-N -1 0 349.471 3.903 20 0 EHADRM CCC(C)(C)NC(=S)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001594809626 981928740 /nfs/dbraw/zinc/92/87/40/981928740.db2.gz KPKXNJNKQVHUFE-UHFFFAOYSA-N -1 0 345.262 3.622 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN(C(=O)[C@@H]1CCC[C@H]1c1ccccc1)C2 ZINC000910501697 981967373 /nfs/dbraw/zinc/96/73/73/981967373.db2.gz BCJIKOYJDPRFMC-VQTJNVASSA-N -1 0 349.430 3.853 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc2c(Cl)cccc2nc1C ZINC001594822451 981974865 /nfs/dbraw/zinc/97/48/65/981974865.db2.gz ZHURRQIUKXZOKK-KRWDZBQOSA-N -1 0 334.803 3.570 20 0 EHADRM CCCC[C@H](OC(=O)Cc1csc(-c2cccs2)n1)C(=O)[O-] ZINC001595651170 982018284 /nfs/dbraw/zinc/01/82/84/982018284.db2.gz RLKUJKYSGKVZGR-NSHDSACASA-N -1 0 339.438 3.601 20 0 EHADRM CCCC[C@@H](S[C@@H](C)C(=O)Nc1cc(F)ccc1C)C(=O)[O-] ZINC001595651617 982024144 /nfs/dbraw/zinc/02/41/44/982024144.db2.gz IMCGQNATEIRRIJ-SMDDNHRTSA-N -1 0 327.421 3.838 20 0 EHADRM CCCC[C@@H](S[C@@H](CC)C(=O)Nc1ccc(OC)cc1)C(=O)[O-] ZINC001595651712 982024838 /nfs/dbraw/zinc/02/48/38/982024838.db2.gz JSHQHXJYZAQZGT-LSDHHAIUSA-N -1 0 339.457 3.789 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)Nc1nc(C2CC2)cs1)C(=O)[O-] ZINC000910630983 982034370 /nfs/dbraw/zinc/03/43/70/982034370.db2.gz REJDFMVHSBEBHW-VIFPVBQESA-N -1 0 348.449 3.838 20 0 EHADRM CC[C@](C)(CNC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)OC ZINC001594836047 982036129 /nfs/dbraw/zinc/03/61/29/982036129.db2.gz ZERSUGDPAUWNSQ-MRXNPFEDSA-N -1 0 336.413 3.536 20 0 EHADRM CCCC[C@@H](S[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1)C(=O)[O-] ZINC001595652677 982036425 /nfs/dbraw/zinc/03/64/25/982036425.db2.gz WFVWDQCKLJWVAO-IUODEOHRSA-N -1 0 337.441 3.593 20 0 EHADRM CC[C@@](C)(NC(=O)CCCOc1ccc(C(C)(C)C)cc1C)C(=O)[O-] ZINC001594836765 982041358 /nfs/dbraw/zinc/04/13/58/982041358.db2.gz GOEGNSDAWGUNJB-HXUWFJFHSA-N -1 0 349.471 3.821 20 0 EHADRM CCOc1cccc(-c2cccc(NC(=O)CCCCC(=O)[O-])n2)c1 ZINC000910655584 982043423 /nfs/dbraw/zinc/04/34/23/982043423.db2.gz FBPNVGZMTMBULO-UHFFFAOYSA-N -1 0 342.395 3.731 20 0 EHADRM CCCC[C@H](S[C@H]1CCCN(c2ccccc2F)C1=O)C(=O)[O-] ZINC001595655885 982048617 /nfs/dbraw/zinc/04/86/17/982048617.db2.gz QFSYRPFFROHGKC-GJZGRUSLSA-N -1 0 339.432 3.698 20 0 EHADRM CCCC[C@H](SCC1CCN(C(=O)C(C)(C)C)CC1)C(=O)[O-] ZINC001595656114 982050352 /nfs/dbraw/zinc/05/03/52/982050352.db2.gz UHGVWIKEAWAQRQ-AWEZNQCLSA-N -1 0 329.506 3.648 20 0 EHADRM CCCC[C@H](S[C@H]1CCN(c2cccc(Cl)c2)C1=O)C(=O)[O-] ZINC001595656546 982053728 /nfs/dbraw/zinc/05/37/28/982053728.db2.gz ZUFRWEOIARUNOP-KBPBESRZSA-N -1 0 341.860 3.822 20 0 EHADRM CCCC[C@@H](Sc1cc(Cl)nc([C@H]2CCCO2)n1)C(=O)[O-] ZINC001595656873 982056917 /nfs/dbraw/zinc/05/69/17/982056917.db2.gz FLQCOJIHDHQXEQ-NXEZZACHSA-N -1 0 330.837 3.717 20 0 EHADRM CCCC[C@H](Sc1ccnc(Cc2ccc(F)cc2)n1)C(=O)[O-] ZINC001595657021 982059196 /nfs/dbraw/zinc/05/91/96/982059196.db2.gz GOWVJHWLACLXNH-AWEZNQCLSA-N -1 0 334.416 3.942 20 0 EHADRM CCCCC1CCC(NC(=O)NCCc2ccccc2C(=O)[O-])CC1 ZINC001595661437 982074832 /nfs/dbraw/zinc/07/48/32/982074832.db2.gz SOXFQNOMRHJVIC-UHFFFAOYSA-N -1 0 346.471 3.976 20 0 EHADRM CCCCCC(C)(C)C(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001595662978 982081932 /nfs/dbraw/zinc/08/19/32/982081932.db2.gz NOIZJGXUUQDUQZ-UHFFFAOYSA-N -1 0 331.416 3.666 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)[C@@H]2CCC(C)(C)C2)nc1C(=O)[O-] ZINC000910720405 982082926 /nfs/dbraw/zinc/08/29/26/982082926.db2.gz GXYZOJUARAEMCO-NEPJUHHUSA-N -1 0 336.457 3.640 20 0 EHADRM CCc1ccc(C(=O)N2CCC[C@H]2c2nc(C(=O)[O-])c(C)s2)cc1 ZINC000910720721 982083002 /nfs/dbraw/zinc/08/30/02/982083002.db2.gz BLAVGTUJHWHIDB-AWEZNQCLSA-N -1 0 344.436 3.689 20 0 EHADRM CCc1ccccc1C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910727847 982090832 /nfs/dbraw/zinc/09/08/32/982090832.db2.gz RNYFECPNBQEEDQ-CQSZACIVSA-N -1 0 344.436 3.689 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)C=C(C2CC2)C2CC2)nc1C(=O)[O-] ZINC000910730330 982092846 /nfs/dbraw/zinc/09/28/46/982092846.db2.gz LKYWKTVTBGAWDF-AWEZNQCLSA-N -1 0 346.452 3.560 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)c2ccc(F)c(C)c2)nc1C(=O)[O-] ZINC000910730271 982093360 /nfs/dbraw/zinc/09/33/60/982093360.db2.gz KSXOWEBEIRWZLK-CYBMUJFWSA-N -1 0 348.399 3.575 20 0 EHADRM O=C([O-])c1nc(NC(=O)C2(c3ccccc3)CCC2)sc1C1CC1 ZINC000910738219 982099285 /nfs/dbraw/zinc/09/92/85/982099285.db2.gz XTHXJYMUAAWXCR-UHFFFAOYSA-N -1 0 342.420 3.779 20 0 EHADRM CCCCC[C@H](NC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001595669365 982112980 /nfs/dbraw/zinc/11/29/80/982112980.db2.gz HKENFKNONDONDP-RISCZKNCSA-N -1 0 345.361 3.959 20 0 EHADRM CCCCC[C@H](CC)C(=O)N1c2c(cccc2C(=O)[O-])NC(=O)[C@H]1C ZINC001595671005 982122288 /nfs/dbraw/zinc/12/22/88/982122288.db2.gz XDWDJVORRJQGLO-OLZOCXBDSA-N -1 0 346.427 3.665 20 0 EHADRM CCCCC[C@@H](CC)C(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001595670994 982122461 /nfs/dbraw/zinc/12/24/61/982122461.db2.gz WVXPKFWFJKCTMM-XYSPPFBYSA-N -1 0 341.517 3.838 20 0 EHADRM CCCCC[C@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001595671982 982128464 /nfs/dbraw/zinc/12/84/64/982128464.db2.gz AKSDTMPZZSDKAJ-ZDUSSCGKSA-N -1 0 332.227 3.686 20 0 EHADRM O=C([O-])CC1CC(NC(=O)CC2CCC(c3ccccc3)CC2)C1 ZINC000910809784 982131299 /nfs/dbraw/zinc/13/12/99/982131299.db2.gz MEZILJKJMRIXCX-UHFFFAOYSA-N -1 0 329.440 3.720 20 0 EHADRM CCCCC[C@H](NC(=O)Cc1csc2sc(C)cc12)C(=O)[O-] ZINC001595672981 982139515 /nfs/dbraw/zinc/13/95/15/982139515.db2.gz TUIXORKERFXGTH-ZDUSSCGKSA-N -1 0 339.482 3.963 20 0 EHADRM CCCCC[C@H](NC(=O)c1cc(Cl)cc2ccc(C)nc21)C(=O)[O-] ZINC001595675931 982145164 /nfs/dbraw/zinc/14/51/64/982145164.db2.gz DYPAKSFUYJNQFY-HNNXBMFYSA-N -1 0 348.830 3.960 20 0 EHADRM C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)C[C@H]1CC(=O)[O-] ZINC000910863673 982153457 /nfs/dbraw/zinc/15/34/57/982153457.db2.gz YSMCBTVTQVOWEK-SVYNMNNPSA-N -1 0 337.419 3.513 20 0 EHADRM CC1(CC(=O)N2CC[C@H](c3ncc(C(=O)[O-])s3)C2)CCCCC1 ZINC000911046420 982211133 /nfs/dbraw/zinc/21/11/33/982211133.db2.gz IDCYDPHOJRWBPW-LBPRGKRZSA-N -1 0 336.457 3.518 20 0 EHADRM CCCCCC[C@@](C)(CC)C(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001595694839 982214030 /nfs/dbraw/zinc/21/40/30/982214030.db2.gz INCJBXAQJGNSFD-AUUYWEPGSA-N -1 0 349.475 3.919 20 0 EHADRM CCn1ccc(CN(C)C(=O)c2cccc(C(F)(F)F)c2[O-])c1 ZINC000655023893 1014816871 /nfs/dbraw/zinc/81/68/71/1014816871.db2.gz RFNOYDQNILLGCY-UHFFFAOYSA-N -1 0 326.318 3.505 20 0 EHADRM Cc1cc(NC(=O)[C@H](C)[C@@H]2OCCc3sccc32)cc(C(=O)[O-])c1 ZINC000911073673 982227659 /nfs/dbraw/zinc/22/76/59/982227659.db2.gz STNVEKJIGLPFPI-BZNIZROVSA-N -1 0 345.420 3.643 20 0 EHADRM CCCCCCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])nc2)cc1 ZINC001595715103 982312329 /nfs/dbraw/zinc/31/23/29/982312329.db2.gz MVYCNKVKEFJONY-UHFFFAOYSA-N -1 0 342.395 3.991 20 0 EHADRM CCCCCN(Cc1ccc(Cl)cc1)C(=O)[C@@H](C)CC(=O)[O-] ZINC001595715744 982316112 /nfs/dbraw/zinc/31/61/12/982316112.db2.gz BLBGOPBQGPHISB-ZDUSSCGKSA-N -1 0 325.836 3.970 20 0 EHADRM CCCCCn1cc(C(=O)N(C)C[C@@H](C)C(=O)[O-])c2ccccc21 ZINC001595727751 982355070 /nfs/dbraw/zinc/35/50/70/982355070.db2.gz KQMAEWZYLRGXBF-CQSZACIVSA-N -1 0 330.428 3.624 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2ccc(F)cc2NC2CC2)CCCC1 ZINC000911333530 982357460 /nfs/dbraw/zinc/35/74/60/982357460.db2.gz XPVROZDXHZIXNS-UHFFFAOYSA-N -1 0 334.391 3.764 20 0 EHADRM CCCCN(C)C(=O)CSCc1cccc(C(=O)[O-])c1Cl ZINC001595735605 982379993 /nfs/dbraw/zinc/37/99/93/982379993.db2.gz KYFYZILOIADTCD-UHFFFAOYSA-N -1 0 329.849 3.530 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001594909779 982411326 /nfs/dbraw/zinc/41/13/26/982411326.db2.gz WYQBIRBNRKWSIG-GWCFXTLKSA-N -1 0 346.349 3.503 20 0 EHADRM CCCCN(Cc1ccccc1F)C(=O)c1cccc(C(=O)[O-])c1 ZINC001595747924 982416552 /nfs/dbraw/zinc/41/65/52/982416552.db2.gz MULZAABBEXEMMW-UHFFFAOYSA-N -1 0 329.371 3.966 20 0 EHADRM CCCCN(Cc1c(C)oc(C)c1C)C(=O)c1ccc(C(=O)[O-])o1 ZINC001595749159 982420843 /nfs/dbraw/zinc/42/08/43/982420843.db2.gz LIXNTYXTUXHALJ-UHFFFAOYSA-N -1 0 333.384 3.939 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)c1cc(C)c(-c2ccccc2)s1)C(=O)[O-] ZINC001594912823 982426291 /nfs/dbraw/zinc/42/62/91/982426291.db2.gz VJMGHFBMNYWNQJ-ABAIWWIYSA-N -1 0 331.437 3.953 20 0 EHADRM CCc1nc(C)c([C@H](C)N(C)C(=O)/C=C/c2cc(C(=O)[O-])co2)s1 ZINC000911426364 982427133 /nfs/dbraw/zinc/42/71/33/982427133.db2.gz DYFYPMKIVGQLPC-MLRMMBSGSA-N -1 0 348.424 3.538 20 0 EHADRM Cc1ccc(C2CCN(C(=O)CC3(CC(=O)[O-])CCCC3)CC2)cn1 ZINC000911458946 982440472 /nfs/dbraw/zinc/44/04/72/982440472.db2.gz GMXCHGHOYAXCBF-UHFFFAOYSA-N -1 0 344.455 3.521 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(O)c(COC(C)C)c2)cc1C(=O)[O-] ZINC000911466126 982445561 /nfs/dbraw/zinc/44/55/61/982445561.db2.gz NBEBDNQKMGBFPS-UHFFFAOYSA-N -1 0 343.379 3.576 20 0 EHADRM Cc1ccccc1CNc1ccccc1NC(=O)[C@@H](C)CC(=O)[O-] ZINC000911513421 982466975 /nfs/dbraw/zinc/46/69/75/982466975.db2.gz YAMVXXABZOMHDN-AWEZNQCLSA-N -1 0 326.396 3.656 20 0 EHADRM CCCCNc1ccccc1C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001595763324 982470920 /nfs/dbraw/zinc/47/09/20/982470920.db2.gz HPLJCNCKRXIOSW-UHFFFAOYSA-N -1 0 344.386 3.917 20 0 EHADRM CCCCNc1ccccc1C(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001595763682 982473838 /nfs/dbraw/zinc/47/38/38/982473838.db2.gz QQKVBEVYAOEWHD-UHFFFAOYSA-N -1 0 338.407 3.800 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCn2c(cc3c2cccc3Cl)C1 ZINC000911589242 982520469 /nfs/dbraw/zinc/52/04/69/982520469.db2.gz BIOVCCRQFPNTNS-UHFFFAOYSA-N -1 0 348.830 3.528 20 0 EHADRM CC[C@@H](C)[C@@H](Sc1nc2ccccc2c(=O)n1C(C)C)C(=O)[O-] ZINC001594928182 982532888 /nfs/dbraw/zinc/53/28/88/982532888.db2.gz DIHNLAMBNATTGT-BXUZGUMPSA-N -1 0 334.441 3.569 20 0 EHADRM CC[C@H](C)[C@H](Sc1nnc(-c2ccccc2Cl)n1C)C(=O)[O-] ZINC001594928819 982543000 /nfs/dbraw/zinc/54/30/00/982543000.db2.gz NLEURMOFRFFRKX-CABZTGNLSA-N -1 0 339.848 3.727 20 0 EHADRM CCCCOc1ccc(C(=O)N[C@@](C)(CCC)C(=O)[O-])c(Cl)c1 ZINC001595777260 982546674 /nfs/dbraw/zinc/54/66/74/982546674.db2.gz PBIOHBRHRKUPOD-KRWDZBQOSA-N -1 0 341.835 3.892 20 0 EHADRM CCCCOc1cccc(NC(=O)NCc2ccc(C(=O)[O-])s2)c1 ZINC001595780865 982555213 /nfs/dbraw/zinc/55/52/13/982555213.db2.gz IZRQXXDFSJEMRC-UHFFFAOYSA-N -1 0 348.424 3.947 20 0 EHADRM CC[C@H](C)CC(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC001594930729 982555722 /nfs/dbraw/zinc/55/57/22/982555722.db2.gz AKSFPGCQMHCUHX-YOEHRIQHSA-N -1 0 327.424 3.636 20 0 EHADRM CCCCS[C@H](C)C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1 ZINC001595789025 982586648 /nfs/dbraw/zinc/58/66/48/982586648.db2.gz JWARHEDPAXOVBU-MRVPVSSYSA-N -1 0 328.459 3.579 20 0 EHADRM CCCCSCCC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001595791575 982589945 /nfs/dbraw/zinc/58/99/45/982589945.db2.gz CRVZYSVTLVMTSU-MRXNPFEDSA-N -1 0 349.496 3.844 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)[C@H](C)CSCc1ccccc1)C(=O)[O-] ZINC001594936537 982594939 /nfs/dbraw/zinc/59/49/39/982594939.db2.gz LKVLYLCDMAYFMY-LZWOXQAQSA-N -1 0 337.485 3.562 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)[C@H](C)CSCc1ccccc1)C(=O)[O-] ZINC001594936539 982595050 /nfs/dbraw/zinc/59/50/50/982595050.db2.gz LKVLYLCDMAYFMY-SQWLQELKSA-N -1 0 337.485 3.562 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1)C(=O)[O-] ZINC001594937184 982597987 /nfs/dbraw/zinc/59/79/87/982597987.db2.gz RUQFMIVQCJYGJE-DHSIGJKJSA-N -1 0 349.471 3.891 20 0 EHADRM C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000911680456 982602086 /nfs/dbraw/zinc/60/20/86/982602086.db2.gz WXWDWHFVPVDGCZ-RISCZKNCSA-N -1 0 343.345 3.507 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)CCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC001594938007 982604011 /nfs/dbraw/zinc/60/40/11/982604011.db2.gz CQSAXNGPLFWJGE-HZMBPMFUSA-N -1 0 346.254 3.932 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000911716603 982610222 /nfs/dbraw/zinc/61/02/22/982610222.db2.gz BTYDTEGXSXFMNI-IXYNUQLISA-N -1 0 335.831 3.593 20 0 EHADRM CCCCn1ncc(NC(=O)c2ccsc2C(=O)[O-])c1C(C)C ZINC001595810301 982643912 /nfs/dbraw/zinc/64/39/12/982643912.db2.gz KAQIWVMKTUAKIK-UHFFFAOYSA-N -1 0 335.429 3.819 20 0 EHADRM CCCN(C(=O)[C@H](C)Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)[O-] ZINC001595814203 982658306 /nfs/dbraw/zinc/65/83/06/982658306.db2.gz PODHLVLVYRYTLU-GHMZBOCLSA-N -1 0 346.254 3.884 20 0 EHADRM CC[C@@H](C)C[C@H](Nc1ccnc(Cc2ccc(F)cc2)n1)C(=O)[O-] ZINC001594954129 982684791 /nfs/dbraw/zinc/68/47/91/982684791.db2.gz ZJFIEHKOUYDXRH-DOMZBBRYSA-N -1 0 331.391 3.508 20 0 EHADRM CC[C@@H](C)CCC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001594956195 982688077 /nfs/dbraw/zinc/68/80/77/982688077.db2.gz BVXOIFJMLDSMPY-SECBINFHSA-N -1 0 328.206 3.912 20 0 EHADRM CC[C@@H](C)CCCCC(=O)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001594958477 982697598 /nfs/dbraw/zinc/69/75/98/982697598.db2.gz BYUSIHORFZDYAI-OLZOCXBDSA-N -1 0 338.473 3.764 20 0 EHADRM CC[C@H](C)CCCCC(=O)N1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001594958810 982700726 /nfs/dbraw/zinc/70/07/26/982700726.db2.gz GLVOZFXWMRKCOK-ZDUSSCGKSA-N -1 0 336.432 3.685 20 0 EHADRM CCCN(C(=O)c1cccc(Nc2ccccc2)c1)[C@@H](C)C(=O)[O-] ZINC001595829843 982715578 /nfs/dbraw/zinc/71/55/78/982715578.db2.gz FINJZABTODGKOS-AWEZNQCLSA-N -1 0 326.396 3.756 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000923093374 982717972 /nfs/dbraw/zinc/71/79/72/982717972.db2.gz LOSHMDPMWLJAHL-ZJUUUORDSA-N -1 0 337.347 3.775 20 0 EHADRM CC[C@H](C)Oc1cc(C(=O)Nc2cc(C(=O)[O-])sc2C)ccn1 ZINC000923093905 982718654 /nfs/dbraw/zinc/71/86/54/982718654.db2.gz FJVNZMQJBYDNOO-VIFPVBQESA-N -1 0 334.397 3.579 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)C1(c2cccnc2)CCCC1 ZINC000923094064 982718730 /nfs/dbraw/zinc/71/87/30/982718730.db2.gz XVQYBVAJHICUOJ-UHFFFAOYSA-N -1 0 330.409 3.600 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)c1cc(C)ccc1N1CCCC1 ZINC000923096838 982721085 /nfs/dbraw/zinc/72/10/85/982721085.db2.gz ODTVCEFOCYRWJL-UHFFFAOYSA-N -1 0 344.436 3.916 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1csc(C2CCCCC2)n1 ZINC000923155806 982772849 /nfs/dbraw/zinc/77/28/49/982772849.db2.gz RBAFLWYHPJNEQV-DGCLKSJQSA-N -1 0 336.457 3.516 20 0 EHADRM CCCN(CC(=O)[O-])c1nc(-c2ccc(C)s2)nc2ccccc21 ZINC001595859607 982791314 /nfs/dbraw/zinc/79/13/14/982791314.db2.gz KAJXPOQQEDLSIU-UHFFFAOYSA-N -1 0 341.436 3.968 20 0 EHADRM CC[C@H](C)Oc1cc(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])ccn1 ZINC001594996340 982900758 /nfs/dbraw/zinc/90/07/58/982900758.db2.gz KDHBIPOBESGZNG-JTQLQIEISA-N -1 0 348.786 3.863 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001594999394 982906308 /nfs/dbraw/zinc/90/63/08/982906308.db2.gz FPCXTNUBSBUFLC-KBXCAEBGSA-N -1 0 347.455 3.875 20 0 EHADRM CCCN(CCc1cccs1)C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001595884477 982907497 /nfs/dbraw/zinc/90/74/97/982907497.db2.gz ZREZFNCJDHBWAN-UHFFFAOYSA-N -1 0 335.400 3.680 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C/C(=O)NCC(CC)(CC)C(=O)[O-] ZINC001595003394 982915091 /nfs/dbraw/zinc/91/50/91/982915091.db2.gz DEZRHRQUQLLUSM-RDRICISKSA-N -1 0 347.455 3.884 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)N1CCCCC[C@@H]1C(=O)[O-] ZINC001595004220 982917474 /nfs/dbraw/zinc/91/74/74/982917474.db2.gz IDYQBIMWQODKKU-QFPYFPQMSA-N -1 0 345.439 3.733 20 0 EHADRM CC[C@H](C)Sc1ccc(NC(=O)c2cc(C(=O)[O-])no2)c(C)c1 ZINC001595005036 982919189 /nfs/dbraw/zinc/91/91/89/982919189.db2.gz MHDYDRCTIJAJFN-JTQLQIEISA-N -1 0 334.397 3.824 20 0 EHADRM CC/C(=C\C(=O)NCc1cc(C(=O)[O-])c(C)o1)c1ccc(C)cc1 ZINC001116301252 982927345 /nfs/dbraw/zinc/92/73/45/982927345.db2.gz LEAMUNAGXLJWCZ-NTEUORMPSA-N -1 0 327.380 3.704 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)N[C@@](C)(CC(=O)[O-])C2CC2)c1 ZINC001595008283 982928122 /nfs/dbraw/zinc/92/81/22/982928122.db2.gz NHVVJPKLSDTZAL-XIKOKIGWSA-N -1 0 334.416 3.629 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)nc2ccccc12 ZINC001116788889 982936091 /nfs/dbraw/zinc/93/60/91/982936091.db2.gz NFQJESYMZGHMPM-AWEZNQCLSA-N -1 0 340.423 3.506 20 0 EHADRM CC[C@@H](C)c1ccc(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc1 ZINC001595010596 982941920 /nfs/dbraw/zinc/94/19/20/982941920.db2.gz UMNWDBVAJFOIAM-WIBUTAKZSA-N -1 0 329.440 3.917 20 0 EHADRM CCCOc1ccc(NC(=O)c2ccoc2CC(=O)[O-])cc1Cl ZINC001595960483 983152115 /nfs/dbraw/zinc/15/21/15/983152115.db2.gz JSNNDKJBRJAZNU-UHFFFAOYSA-N -1 0 337.759 3.601 20 0 EHADRM CCCOc1ccc(NC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)cc1F ZINC001595961299 983158781 /nfs/dbraw/zinc/15/87/81/983158781.db2.gz YUIIXDVGLFRHFC-UHFFFAOYSA-N -1 0 334.347 3.510 20 0 EHADRM CCCOc1ccc(N[C@H](C)c2cncc(C(=O)[O-])c2)cc1OC ZINC001595966199 983171657 /nfs/dbraw/zinc/17/16/57/983171657.db2.gz FFOASYAKUURWDN-GFCCVEGCSA-N -1 0 330.384 3.750 20 0 EHADRM CCCOc1ccccc1NC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001595969019 983187594 /nfs/dbraw/zinc/18/75/94/983187594.db2.gz KDKJOSBCDJQJAC-UHFFFAOYSA-N -1 0 346.383 3.739 20 0 EHADRM CCCc1c(NCc2ccc(C(=O)[O-])[nH]2)cnn1-c1ccc(F)cc1 ZINC001596051465 983351479 /nfs/dbraw/zinc/35/14/79/983351479.db2.gz VCZOSLSLMJRNST-UHFFFAOYSA-N -1 0 342.374 3.602 20 0 EHADRM CCCc1cc(C(=O)N(CCc2ccccc2)CC(=O)[O-])sc1C ZINC001596053736 983355626 /nfs/dbraw/zinc/35/56/26/983355626.db2.gz WMGJNPPCZGIVLA-UHFFFAOYSA-N -1 0 345.464 3.779 20 0 EHADRM CCCc1sc(C(=O)Nc2cccc(CC(=O)[O-])n2)cc1CC ZINC001596106031 983430200 /nfs/dbraw/zinc/43/02/00/983430200.db2.gz NSUOCKSOJINSBA-UHFFFAOYSA-N -1 0 332.425 3.537 20 0 EHADRM CCN(C(=O)C1CC(c2ccc(F)cc2)C1)c1ncc(C(=O)[O-])s1 ZINC001596131759 983479865 /nfs/dbraw/zinc/47/98/65/983479865.db2.gz SIKGYXRQPDCGRJ-UHFFFAOYSA-N -1 0 348.399 3.527 20 0 EHADRM CCN(C(=O)[C@H]1CC[C@@H]1c1ccc(Cl)cc1F)C(C)(C)C(=O)[O-] ZINC001596136694 983484373 /nfs/dbraw/zinc/48/43/73/983484373.db2.gz DLMFFGVLMIFYBE-YPMHNXCESA-N -1 0 341.810 3.684 20 0 EHADRM CCN(C(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccc(Cl)cc1F ZINC001596137425 983486372 /nfs/dbraw/zinc/48/63/72/983486372.db2.gz KSNYTDVYDYNUDW-YVMONPNESA-N -1 0 337.734 3.837 20 0 EHADRM CCN(C(=O)Cc1ccc(C)c(Cl)c1)c1ccccc1C(=O)[O-] ZINC001596143641 983497823 /nfs/dbraw/zinc/49/78/23/983497823.db2.gz RZZUFWIPUPDRGE-UHFFFAOYSA-N -1 0 331.799 3.942 20 0 EHADRM CCN(C(=O)Cn1cc(C(=O)[O-])c2ccccc21)C1CCCCC1 ZINC001596148377 983504738 /nfs/dbraw/zinc/50/47/38/983504738.db2.gz YUISEGAENOPUDW-UHFFFAOYSA-N -1 0 328.412 3.521 20 0 EHADRM CCN(C(=O)c1ccc(Oc2ccccc2C)cn1)C(C)(C)C(=O)[O-] ZINC001596169641 983533667 /nfs/dbraw/zinc/53/36/67/983533667.db2.gz IWEJBOPNTSDNCS-UHFFFAOYSA-N -1 0 342.395 3.508 20 0 EHADRM CCN(CC(=O)[O-])C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC001596219842 983610796 /nfs/dbraw/zinc/61/07/96/983610796.db2.gz FIIUQWXORLDQRJ-UHFFFAOYSA-N -1 0 341.285 3.512 20 0 EHADRM CCN(Cc1ccc(Cl)cc1)C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001596359846 983836373 /nfs/dbraw/zinc/83/63/73/983836373.db2.gz PFFSCEPUYJXPAL-UHFFFAOYSA-N -1 0 335.831 3.724 20 0 EHADRM CCN(Cc1ccc(Cl)cc1)C(=O)Nc1cc(C)c(C(=O)[O-])cn1 ZINC001596359908 983837709 /nfs/dbraw/zinc/83/77/09/983837709.db2.gz TZIFBBXKBYLMRH-UHFFFAOYSA-N -1 0 347.802 3.796 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001596364729 983852625 /nfs/dbraw/zinc/85/26/25/983852625.db2.gz ASOJRACVWLLCHL-XBXARRHUSA-N -1 0 339.800 3.755 20 0 EHADRM COc1ccc(-c2noc(-c3ccc(Cl)cc3[O-])n2)cc1OC ZINC000109037351 1014986126 /nfs/dbraw/zinc/98/61/26/1014986126.db2.gz LBNJSOIKVNFGSY-UHFFFAOYSA-N -1 0 332.743 3.780 20 0 EHADRM COc1cc(/C=C/C(=O)c2cccc(Cl)c2)ccc1OCC(=O)[O-] ZINC000007743311 1014992240 /nfs/dbraw/zinc/99/22/40/1014992240.db2.gz MWEZEKNZKREBOB-FNORWQNLSA-N -1 0 346.766 3.708 20 0 EHADRM CCNC(=O)c1ccc(NCc2cc(C(=O)[O-])ccc2Cl)c(C)c1 ZINC001596483779 984215806 /nfs/dbraw/zinc/21/58/06/984215806.db2.gz QKBDVTKNYFXBBS-UHFFFAOYSA-N -1 0 346.814 3.708 20 0 EHADRM CCNc1ccc(Cl)cc1-c1nc(-c2cc(C(=O)[O-])co2)no1 ZINC001596501293 984254276 /nfs/dbraw/zinc/25/42/76/984254276.db2.gz NLXIFUPXMWUJHT-UHFFFAOYSA-N -1 0 333.731 3.780 20 0 EHADRM CCNc1cccnc1C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001596504069 984257438 /nfs/dbraw/zinc/25/74/38/984257438.db2.gz HTZCSVNABIUKIE-UHFFFAOYSA-N -1 0 335.363 3.617 20 0 EHADRM CCNc1nc(SCc2cc(C(=O)[O-])oc2C)nc2ccccc21 ZINC001596504980 984261442 /nfs/dbraw/zinc/26/14/42/984261442.db2.gz KPLFWWZWXLAAQY-UHFFFAOYSA-N -1 0 343.408 3.954 20 0 EHADRM CCOC(=O)[C@H](NCc1ccc(C(=O)[O-])c(C)c1)C1CCCCCC1 ZINC001596542320 984386015 /nfs/dbraw/zinc/38/60/15/984386015.db2.gz IVSIBAXPUMIGDC-GOSISDBHSA-N -1 0 347.455 3.685 20 0 EHADRM CCOC(=O)C1CCC(S[C@@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC001596570809 984465368 /nfs/dbraw/zinc/46/53/68/984465368.db2.gz UZYJZLIGABQEKK-PESDSKBTSA-N -1 0 340.416 3.807 20 0 EHADRM C=COc1ccc(NCc2oc(Br)cc2C(=O)[O-])cc1 ZINC001588913698 984556311 /nfs/dbraw/zinc/55/63/11/984556311.db2.gz JILALUBKTAWQNE-UHFFFAOYSA-N -1 0 338.157 3.875 20 0 EHADRM CCOC(=O)CN(Cc1ccsc1C(=O)[O-])[C@@H](C)c1ccccc1 ZINC001596622418 984600400 /nfs/dbraw/zinc/60/04/00/984600400.db2.gz XSEQLMASSFJHJI-ZDUSSCGKSA-N -1 0 347.436 3.573 20 0 EHADRM C/C(=C/C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1C ZINC001588938755 984624252 /nfs/dbraw/zinc/62/42/52/984624252.db2.gz KNZLWYMZUHAWHE-RMHQSFGDSA-N -1 0 341.382 3.522 20 0 EHADRM C/C(=C/C(=O)N1CCc2cccc(C(=O)[O-])c2C1)c1ccc(F)cc1 ZINC001588938917 984625718 /nfs/dbraw/zinc/62/57/18/984625718.db2.gz IQCOMLNKXFGLIP-QBFSEMIESA-N -1 0 339.366 3.512 20 0 EHADRM C[C@H](C(=O)[O-])N(C)C(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC001599885738 984633857 /nfs/dbraw/zinc/63/38/57/984633857.db2.gz QMJXIJVAKCVRFN-LLVKDONJSA-N -1 0 335.444 3.532 20 0 EHADRM C/C(=C\C(=O)NCCc1ccccc1C(=O)[O-])c1cccc(Cl)c1 ZINC001588943275 984640530 /nfs/dbraw/zinc/64/05/30/984640530.db2.gz ZGYSTMYIGSKPDS-ACCUITESSA-N -1 0 343.810 3.800 20 0 EHADRM C/C(=C/C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O)c1ccccc1 ZINC001588944083 984644331 /nfs/dbraw/zinc/64/43/31/984644331.db2.gz NZWQDAYUNMFDEB-YFHOEESVSA-N -1 0 331.755 3.786 20 0 EHADRM C/C(=C/C(=O)[O-])CSc1nnc(Nc2cccc(F)c2)s1 ZINC001588952136 984684398 /nfs/dbraw/zinc/68/43/98/984684398.db2.gz LINRRRQNEVQTSX-YVMONPNESA-N -1 0 325.390 3.544 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001599890796 984691953 /nfs/dbraw/zinc/69/19/53/984691953.db2.gz FJFGIGMKZHCYBX-DYVFJYSZSA-N -1 0 335.419 3.717 20 0 EHADRM C[C@H](NC(=O)c1ccc(/C=C\C(=O)[O-])o1)c1cc2ccccc2o1 ZINC001599900650 984817732 /nfs/dbraw/zinc/81/77/32/984817732.db2.gz IRWBMJIMDASZDG-DVBBHNHCSA-N -1 0 325.320 3.615 20 0 EHADRM C/C(=C\CSCCCCCCNC(=O)OC(C)(C)C)C(=O)[O-] ZINC001588991123 984914202 /nfs/dbraw/zinc/91/42/02/984914202.db2.gz RNYRCQJVCPRQTH-UKTHLTGXSA-N -1 0 331.478 3.836 20 0 EHADRM C/C(=C\Cl)CS[C@H](C)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001588991216 984914416 /nfs/dbraw/zinc/91/44/16/984914416.db2.gz UFKQEBJHDMVHGK-ILFKPUCNSA-N -1 0 333.862 3.958 20 0 EHADRM C[C@H]1C[C@H](N(C)[C@@H](COC2CCC2)C(=O)[O-])c2ccsc2S1 ZINC001599905432 984916248 /nfs/dbraw/zinc/91/62/48/984916248.db2.gz KXQGZMCQEGJZBF-BPNCWPANSA-N -1 0 341.498 3.628 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)Nc1cc(CCC(=O)[O-])ccc1O ZINC001588998085 984933857 /nfs/dbraw/zinc/93/38/57/984933857.db2.gz HIPQLDGYBHJWMZ-BENRWUELSA-N -1 0 343.354 3.591 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001588998134 984933872 /nfs/dbraw/zinc/93/38/72/984933872.db2.gz IUXYCMVRSFNZED-SDNWHVSQSA-N -1 0 338.407 3.801 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001588998388 984934810 /nfs/dbraw/zinc/93/48/10/984934810.db2.gz KHXPXYKXSFTLBE-BPOBUFBUSA-N -1 0 333.403 3.769 20 0 EHADRM C/C(=C\c1ccccn1)C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC001589005108 984962803 /nfs/dbraw/zinc/96/28/03/984962803.db2.gz AXYUOELDKZYDOP-MDZDMXLPSA-N -1 0 345.424 3.576 20 0 EHADRM C[C@H]1CN(C(=O)N[C@@H]2CCC[C@@H](C(C)(C)C)CC2)CC[C@H]1C(=O)[O-] ZINC001599918929 985101960 /nfs/dbraw/zinc/10/19/60/985101960.db2.gz RAEDQWFKCFTSOM-ZJIFWQFVSA-N -1 0 338.492 3.734 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cc(C(F)F)ccc2Cl)C[C@]1(C)C(=O)[O-] ZINC001599922174 985149666 /nfs/dbraw/zinc/14/96/66/985149666.db2.gz XXXXOCREMHFVNX-AYVTZFPOSA-N -1 0 346.761 3.852 20 0 EHADRM CCO[C@@H](c1noc(/C=C/c2cc(C(=O)[O-])co2)n1)C1CCCC1 ZINC001596789625 985259927 /nfs/dbraw/zinc/25/99/27/985259927.db2.gz FICPCZVJURKVNE-MVGZEHJDSA-N -1 0 332.356 3.799 20 0 EHADRM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C)c(C(=O)[O-])c2)C1(CC)CC ZINC001596810658 985352735 /nfs/dbraw/zinc/35/27/35/985352735.db2.gz HBZASNLZXBWNDG-IAGOWNOFSA-N -1 0 347.455 3.749 20 0 EHADRM C[C@H]1Cc2ccccc2N(C(=O)c2ccnc3ccccc32)[C@H]1C(=O)[O-] ZINC001599937511 985414728 /nfs/dbraw/zinc/41/47/28/985414728.db2.gz SHONECVECBAHLZ-ORAYPTAESA-N -1 0 346.386 3.527 20 0 EHADRM C[C@]1(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2O)C[C@@H]1c1ccccc1 ZINC001599937625 985415428 /nfs/dbraw/zinc/41/54/28/985415428.db2.gz CADRLXYWIVVMRB-ACJLOTCBSA-N -1 0 345.782 3.876 20 0 EHADRM C[C@]12CN(C(=O)Nc3ccc(CCC(=O)[O-])cc3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001599938149 985421721 /nfs/dbraw/zinc/42/17/21/985421721.db2.gz FAUGKPGYGIIHJO-NVALYEJGSA-N -1 0 342.439 3.604 20 0 EHADRM C[C@H]1CN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)Cc2ccccc2O1 ZINC001594501406 985687471 /nfs/dbraw/zinc/68/74/71/985687471.db2.gz NJARFALCYVUPFT-APPDUMDISA-N -1 0 349.789 3.888 20 0 EHADRM Cc1[nH]c(C(=O)OC[C@H](OC(C)C)c2ccccc2)c(C)c1C(=O)[O-] ZINC001599960211 985767137 /nfs/dbraw/zinc/76/71/37/985767137.db2.gz MZNSXWSXQZPDIE-HNNXBMFYSA-N -1 0 345.395 3.653 20 0 EHADRM CCOCCC1(C(=O)OCc2ccc(C(=O)[O-])cc2F)CCCC1 ZINC001596898930 985858982 /nfs/dbraw/zinc/85/89/82/985858982.db2.gz BFBBYNGUJUQNNH-UHFFFAOYSA-N -1 0 338.375 3.554 20 0 EHADRM CCOCCC1(C(=O)Nc2nc(C(C)C)c(C(=O)[O-])s2)CCC1 ZINC001596899234 985866085 /nfs/dbraw/zinc/86/60/85/985866085.db2.gz RERIARFCWVRDTM-UHFFFAOYSA-N -1 0 340.445 3.500 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])[nH]c1NC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001589262022 985925524 /nfs/dbraw/zinc/92/55/24/985925524.db2.gz OVXHXEQOJVCZCG-ZYHUDNBSSA-N -1 0 334.416 3.707 20 0 EHADRM O=C([O-])C1CCC(CC(=O)NC2(Cc3cccc(F)c3)CCC2)CC1 ZINC000579842247 1015171713 /nfs/dbraw/zinc/17/17/13/1015171713.db2.gz HGCSRYLJEINKPC-UHFFFAOYSA-N -1 0 347.430 3.688 20 0 EHADRM CC(=O)c1ccc(OC(=O)c2cc(C)cc(C(=O)[O-])c2)cc1Cl ZINC001589291059 986033493 /nfs/dbraw/zinc/03/34/93/986033493.db2.gz OYHLQHKDHGLCJO-UHFFFAOYSA-N -1 0 332.739 3.768 20 0 EHADRM CC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(C(=O)[O-])cc1 ZINC001589318368 986121794 /nfs/dbraw/zinc/12/17/94/986121794.db2.gz ZCIYJDBDMHWKCW-GFCCVEGCSA-N -1 0 343.404 3.707 20 0 EHADRM CCOCc1nc(C)c(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)s1 ZINC001596952400 986122420 /nfs/dbraw/zinc/12/24/20/986122420.db2.gz NSUYLGZVQJMZQQ-NSHDSACASA-N -1 0 349.408 3.604 20 0 EHADRM Cc1c(Br)scc1C(=O)NCCCCCCC(=O)[O-] ZINC001599980920 986161548 /nfs/dbraw/zinc/16/15/48/986161548.db2.gz ZMLGKCDJMHZMNR-UHFFFAOYSA-N -1 0 348.262 3.584 20 0 EHADRM C[C@H]1CN(Cc2ccc(C(=O)[O-])c(F)c2)c2cccc(Cl)c2O1 ZINC001594537715 986162615 /nfs/dbraw/zinc/16/26/15/986162615.db2.gz ISRLTCZPDKMOGZ-JTQLQIEISA-N -1 0 335.762 3.965 20 0 EHADRM Cc1c(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])cnn1C(C)(C)C ZINC001599983725 986200279 /nfs/dbraw/zinc/20/02/79/986200279.db2.gz MYQDXIMXOFAPLQ-UHFFFAOYSA-N -1 0 335.791 3.550 20 0 EHADRM Cc1c(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cnc2ccccc12 ZINC001599983887 986202633 /nfs/dbraw/zinc/20/26/33/986202633.db2.gz QQXHPEFWONQETG-GFCCVEGCSA-N -1 0 334.375 3.984 20 0 EHADRM Cc1c(C(=O)Nc2cccc(C(=O)[O-])c2O)cccc1-c1ccccn1 ZINC001599983980 986204840 /nfs/dbraw/zinc/20/48/40/986204840.db2.gz MPBQPDCXPGLENU-UHFFFAOYSA-N -1 0 348.358 3.713 20 0 EHADRM C[C@H]1CN(Cc2ccnc3c(C(=O)[O-])cccc23)c2ccccc2O1 ZINC001594548143 986236227 /nfs/dbraw/zinc/23/62/27/986236227.db2.gz SBFYIJOWUZZFQU-ZDUSSCGKSA-N -1 0 334.375 3.721 20 0 EHADRM CCOc1c(Cl)cccc1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001596992243 986275364 /nfs/dbraw/zinc/27/53/64/986275364.db2.gz FRIIUQSBQQVWSU-UHFFFAOYSA-N -1 0 348.786 3.759 20 0 EHADRM C[C@H](C(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-])c1ccc2ccccc2c1 ZINC001589345597 986279113 /nfs/dbraw/zinc/27/91/13/986279113.db2.gz CLDGYDKIQSYQLU-NOENWEJRSA-N -1 0 337.419 3.655 20 0 EHADRM C[C@@H]1CN(c2cc(C(F)(F)F)c(C(=O)[O-])cn2)Cc2ccccc21 ZINC001594562715 986336682 /nfs/dbraw/zinc/33/66/82/986336682.db2.gz RMUFBGIIVNARFH-SNVBAGLBSA-N -1 0 336.313 3.922 20 0 EHADRM C[C@H](C(=O)N1CCCCc2cc(C(=O)[O-])ccc21)c1ccccc1F ZINC001589359641 986359791 /nfs/dbraw/zinc/35/97/91/986359791.db2.gz WMWZVJALHPASPX-ZDUSSCGKSA-N -1 0 341.382 3.997 20 0 EHADRM C[C@H](C(=O)N1CCOc2c(C(=O)[O-])cccc21)c1cccc(Cl)c1 ZINC001589359916 986362143 /nfs/dbraw/zinc/36/21/43/986362143.db2.gz CUCKJTODNLYYMN-NSHDSACASA-N -1 0 345.782 3.567 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1C[C@H](CC)CC[C@@H]1C ZINC001597017258 986392419 /nfs/dbraw/zinc/39/24/19/986392419.db2.gz WTIBWFZQFOSWFT-QWHCGFSZSA-N -1 0 334.416 3.826 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(SC)cc1 ZINC001597026411 986434036 /nfs/dbraw/zinc/43/40/36/986434036.db2.gz WXIVDVZNKLRVRT-UHFFFAOYSA-N -1 0 331.393 3.758 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001597038071 986482910 /nfs/dbraw/zinc/48/29/10/986482910.db2.gz BQONWENSAOXCKZ-CQSZACIVSA-N -1 0 345.782 3.567 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC001597038478 986485141 /nfs/dbraw/zinc/48/51/41/986485141.db2.gz OWJAVNTUFPZZSS-DYVFJYSZSA-N -1 0 339.819 3.502 20 0 EHADRM CCOc1ccc(-c2noc([C@H]3CCC[C@@H](C(=O)[O-])C3)n2)cc1F ZINC001597049857 986526357 /nfs/dbraw/zinc/52/63/57/986526357.db2.gz JYGKTNDBXGXDPU-NWDGAFQWSA-N -1 0 334.347 3.633 20 0 EHADRM CC(C)c1nc(NC(=O)c2ccc3c(c2)C[C@@H](C)O3)sc1C(=O)[O-] ZINC001594615142 986631216 /nfs/dbraw/zinc/63/12/16/986631216.db2.gz LRUYGEGZUHKNNS-SECBINFHSA-N -1 0 346.408 3.540 20 0 EHADRM C[C@H]1Cc2cc(C(=O)Nc3ccc(F)c(C(=O)[O-])c3Cl)ccc2O1 ZINC001594617187 986637958 /nfs/dbraw/zinc/63/79/58/986637958.db2.gz ZGGFIWZEUSOHJU-QMMMGPOBSA-N -1 0 349.745 3.753 20 0 EHADRM C[C@H](C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1)c1ccccc1C(F)(F)F ZINC001589421955 986660160 /nfs/dbraw/zinc/66/01/60/986660160.db2.gz CXCLIBMSOJZMIA-TUAOUCFPSA-N -1 0 343.345 3.569 20 0 EHADRM C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C(=O)[O-])c1ccccc1C(F)(F)F ZINC001589423407 986678347 /nfs/dbraw/zinc/67/83/47/986678347.db2.gz REPKARFKSSPSQF-QKCSRTOESA-N -1 0 343.345 3.569 20 0 EHADRM CCOc1ccc(CCC(=O)Nc2ccc(C(=O)[O-])cc2CC)cc1 ZINC001597095474 986691288 /nfs/dbraw/zinc/69/12/88/986691288.db2.gz CJOGLYKPMUEYHX-UHFFFAOYSA-N -1 0 341.407 3.917 20 0 EHADRM CCOc1ccc(N(CC)C(=O)Nc2cnc(C)c(C(=O)[O-])c2)cc1 ZINC001597107292 986754301 /nfs/dbraw/zinc/75/43/01/986754301.db2.gz XYYZFOMQRBNZGJ-UHFFFAOYSA-N -1 0 343.383 3.545 20 0 EHADRM CCOc1ccc(NC(=O)C=C2CCC(C)CC2)c(C(=O)[O-])c1F ZINC001597112328 986775872 /nfs/dbraw/zinc/77/58/72/986775872.db2.gz MJUHXOPKASRNSR-UHFFFAOYSA-N -1 0 335.375 3.998 20 0 EHADRM CCOc1ccc2c(c1)[C@H](NCc1cc(C(=O)[O-])c(CC)o1)CCO2 ZINC001597142675 986889767 /nfs/dbraw/zinc/88/97/67/986889767.db2.gz GCJAZJFLQKCGBM-MRXNPFEDSA-N -1 0 345.395 3.552 20 0 EHADRM CCOc1cccc(/C=C/C(=O)O[C@@H](C)c2cc(C(=O)[O-])co2)c1 ZINC001597150555 986927466 /nfs/dbraw/zinc/92/74/66/986927466.db2.gz VECCNUSXGIDARA-GUOLPTJISA-N -1 0 330.336 3.694 20 0 EHADRM CCOc1cccc(/C=C\C(=O)NC2(C(=O)[O-])CCC(CC)CC2)c1 ZINC001597150936 986931462 /nfs/dbraw/zinc/93/14/62/986931462.db2.gz VAHVEESWUYVRSF-HJWRWDBZSA-N -1 0 345.439 3.638 20 0 EHADRM CCOc1cccc(CCC(=O)OCc2cc(C(=O)[O-])ccc2C)c1 ZINC001597153497 986938110 /nfs/dbraw/zinc/93/81/10/986938110.db2.gz KHEHBLREERGDMD-UHFFFAOYSA-N -1 0 342.391 3.768 20 0 EHADRM CCOc1cccc2cc([C@@H](C)N[C@@H](C)c3nc(C(=O)[O-])co3)oc21 ZINC001597165668 986985411 /nfs/dbraw/zinc/98/54/11/986985411.db2.gz UVRMYYMZCTVINY-MNOVXSKESA-N -1 0 344.367 3.930 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)Cc1cc(Cl)cc2ccccc21)C1CCC1 ZINC001589477725 986987216 /nfs/dbraw/zinc/98/72/16/986987216.db2.gz SWNBJGQJCPVBCG-GFCCVEGCSA-N -1 0 345.826 3.890 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)c1cc(F)c(Cl)cc1Cl)C1CCC1 ZINC001589477758 986987337 /nfs/dbraw/zinc/98/73/37/986987337.db2.gz UJRHQVHWONCVEI-ZETCQYMHSA-N -1 0 334.174 3.600 20 0 EHADRM CCOc1ccccc1-c1nnc(SCc2occc2C(=O)[O-])o1 ZINC001597167106 986990039 /nfs/dbraw/zinc/99/00/39/986990039.db2.gz JCLNOLZPUQJXLH-UHFFFAOYSA-N -1 0 346.364 3.719 20 0 EHADRM CCC(=CC(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1)CC ZINC001594691133 987087755 /nfs/dbraw/zinc/08/77/55/987087755.db2.gz PCTCWVFZMGGZDZ-UHFFFAOYSA-N -1 0 344.180 3.971 20 0 EHADRM CCC(=O)[C@H](C)OC(=O)c1ccc(-c2ccc(C(=O)[O-])cc2)cc1 ZINC001594693974 987105257 /nfs/dbraw/zinc/10/52/57/987105257.db2.gz KGNMONCROJRBTH-LBPRGKRZSA-N -1 0 326.348 3.576 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)Cc2cccc3cccnc32)cc1 ZINC001589504036 987111657 /nfs/dbraw/zinc/11/16/57/987111657.db2.gz JTKVXERVUJHMRV-ZDUSSCGKSA-N -1 0 334.375 3.604 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)C(F)(F)c2ccccc2F)cc1 ZINC001589504085 987112486 /nfs/dbraw/zinc/11/24/86/987112486.db2.gz OACALLGVBNEYGQ-JTQLQIEISA-N -1 0 337.297 3.744 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@H](O)C2CCCCCCC2)cc1 ZINC001589504510 987114434 /nfs/dbraw/zinc/11/44/34/987114434.db2.gz QYUXQLCCRSKIFS-CXAGYDPISA-N -1 0 333.428 3.535 20 0 EHADRM CCC(=O)CCCSc1ccc(Br)cc1C(=O)[O-] ZINC001594696672 987122870 /nfs/dbraw/zinc/12/28/70/987122870.db2.gz WACSLAPPXLNVSI-UHFFFAOYSA-N -1 0 331.231 3.999 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cnnc(-c3ccccc3)c2)cc1 ZINC001589521403 987166190 /nfs/dbraw/zinc/16/61/90/987166190.db2.gz NKVMWGGDTBZGFE-CYBMUJFWSA-N -1 0 347.374 3.584 20 0 EHADRM CCC(=O)c1cc(C(=O)N[C@@]2(C(=O)[O-])CCCC(C)(C)C2)ccc1F ZINC001594717384 987194446 /nfs/dbraw/zinc/19/44/46/987194446.db2.gz DDSJMOPYBCICPN-IBGZPJMESA-N -1 0 349.402 3.572 20 0 EHADRM CCC(=O)c1cc(C(=O)Nc2c(C)csc2C(=O)[O-])ccc1F ZINC001594718411 987198994 /nfs/dbraw/zinc/19/89/94/987198994.db2.gz SWEYDRVQUZMYHK-UHFFFAOYSA-N -1 0 335.356 3.739 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NCC(C)(C)NC(=O)OC(C)(C)C)c1 ZINC001589531263 987201173 /nfs/dbraw/zinc/20/11/73/987201173.db2.gz CENJWRMFMUVKGA-GFCCVEGCSA-N -1 0 336.432 3.590 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cccn2Cc2ccccc2)c1 ZINC001589531747 987206951 /nfs/dbraw/zinc/20/69/51/987206951.db2.gz JFQHWTYGCPERDW-HNNXBMFYSA-N -1 0 348.402 3.977 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cc(-c3cccs3)[nH]n2)c1 ZINC001589532817 987219056 /nfs/dbraw/zinc/21/90/56/987219056.db2.gz UJQXYDSMVOAFRN-JTQLQIEISA-N -1 0 341.392 3.579 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cccc(C(F)(F)F)n2)c1 ZINC001589533302 987225307 /nfs/dbraw/zinc/22/53/07/987225307.db2.gz ZOJWYCNMFLYRSJ-SECBINFHSA-N -1 0 338.285 3.541 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)Nc2cccc3nsnc32)c1 ZINC001589534228 987229935 /nfs/dbraw/zinc/22/99/35/987229935.db2.gz WSPODMUJMVLRTK-SECBINFHSA-N -1 0 342.380 3.523 20 0 EHADRM CC[C@H](C(=O)N1CCCc2ccc(C(=O)[O-])cc21)c1ccc(F)cc1 ZINC001594729098 987239402 /nfs/dbraw/zinc/23/94/02/987239402.db2.gz DXDYNANUAKMIKC-KRWDZBQOSA-N -1 0 341.382 3.997 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(Nc2nnc(-c3ccccn3)s2)c1 ZINC001589540363 987242257 /nfs/dbraw/zinc/24/22/57/987242257.db2.gz VPBATLWTEAIJSU-JTQLQIEISA-N -1 0 326.381 3.532 20 0 EHADRM CC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001594736545 987278013 /nfs/dbraw/zinc/27/80/13/987278013.db2.gz NWBYZOPCLLWWBD-KGLIPLIRSA-N -1 0 345.361 3.815 20 0 EHADRM CCSCC[C@H](C)N(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001597259285 987279406 /nfs/dbraw/zinc/27/94/06/987279406.db2.gz OJFJGHTVUBRZCV-JTQLQIEISA-N -1 0 342.436 3.828 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N(Cc1ccccc1)[C@@H](C)c1ccccc1 ZINC001594739956 987284612 /nfs/dbraw/zinc/28/46/12/987284612.db2.gz DSSANOZFOOICRM-MAUKXSAKSA-N -1 0 325.408 3.887 20 0 EHADRM CCSc1cccc(N[C@H](C(=O)OC)c2cccc(C(=O)[O-])c2)c1 ZINC001597277072 987332957 /nfs/dbraw/zinc/33/29/57/987332957.db2.gz FXDQDAIXMDXDBJ-INIZCTEOSA-N -1 0 345.420 3.823 20 0 EHADRM CCSc1cccc(F)c1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001597277677 987336737 /nfs/dbraw/zinc/33/67/37/987336737.db2.gz XESLBRMAFSCDRY-QWRGUYRKSA-N -1 0 325.405 3.767 20 0 EHADRM CC[C@@H]1C[C@H]1CNC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001597301311 987410675 /nfs/dbraw/zinc/41/06/75/987410675.db2.gz PRTBWVNIPNCAGT-KGLIPLIRSA-N -1 0 336.457 3.562 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1cc[nH]c1C1CCC1)c1ccccc1 ZINC001589598057 987417823 /nfs/dbraw/zinc/41/78/23/987417823.db2.gz GBTHVKAYINDKDG-KRWDZBQOSA-N -1 0 340.423 3.864 20 0 EHADRM CC[C@H](NC(=O)NCCCCCCC(=O)[O-])c1ccc(C)c(F)c1 ZINC001597335805 987471631 /nfs/dbraw/zinc/47/16/31/987471631.db2.gz DJGOZXGBCRAWOQ-INIZCTEOSA-N -1 0 338.423 3.920 20 0 EHADRM CC[C@H](NC(=O)Nc1cc(C)c(C(=O)[O-])cn1)c1ccccc1F ZINC001597336978 987476262 /nfs/dbraw/zinc/47/62/62/987476262.db2.gz XPTNADZQPCXBSW-AWEZNQCLSA-N -1 0 331.347 3.500 20 0 EHADRM CC[C@H](N[C@@H]1CCC[C@@H](CCCC(=O)[O-])C1)C(=O)OC(C)(C)C ZINC001597349279 987483783 /nfs/dbraw/zinc/48/37/83/987483783.db2.gz CBNRHZMXKHPHEV-ZNMIVQPWSA-N -1 0 327.465 3.510 20 0 EHADRM CC(C)(C(=O)[O-])N(Cc1ccccc1)C(=O)/C=C\c1cccc(F)c1 ZINC001589617238 987490611 /nfs/dbraw/zinc/49/06/11/987490611.db2.gz XPZVXDSLAQINHS-QXMHVHEDSA-N -1 0 341.382 3.731 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(c2cc(Cl)c3ncccc3n2)C1 ZINC001589617415 987493477 /nfs/dbraw/zinc/49/34/77/987493477.db2.gz VYEIWKOWZKUCCP-NSHDSACASA-N -1 0 333.819 3.610 20 0 EHADRM CCc1[nH]c(C(=O)NCC2CCC(C(C)C)CC2)c(C)c1C(=O)[O-] ZINC001597367944 987545322 /nfs/dbraw/zinc/54/53/22/987545322.db2.gz FRLZLQVDSHCWET-UHFFFAOYSA-N -1 0 334.460 3.776 20 0 EHADRM CCc1[nH]c(CN2CC[C@H](Oc3ccccc3Cl)C2)cc1C(=O)[O-] ZINC001597385099 987592975 /nfs/dbraw/zinc/59/29/75/987592975.db2.gz QEFBSUJISSCJLL-ZDUSSCGKSA-N -1 0 348.830 3.582 20 0 EHADRM CCc1[nH]ccc1C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001597398563 987652879 /nfs/dbraw/zinc/65/28/79/987652879.db2.gz NLTBXHJPNAGQOS-QGZVFWFLSA-N -1 0 342.439 3.820 20 0 EHADRM CCc1[nH]nc(NCc2ccc(-c3ccccc3C(=O)[O-])o2)c1C ZINC001597399329 987656634 /nfs/dbraw/zinc/65/66/34/987656634.db2.gz FJWBIDNDRVMLJJ-UHFFFAOYSA-N -1 0 325.368 3.851 20 0 EHADRM CCc1c(C(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)ccn1C ZINC001597406877 987688533 /nfs/dbraw/zinc/68/85/33/987688533.db2.gz XXBBAFBMYLRLHG-HNNXBMFYSA-N -1 0 334.460 3.521 20 0 EHADRM CCc1c(C)sc2[nH]c(-c3ccc(C(=O)[O-])c(OC)c3)nc(=O)c12 ZINC001597414922 987712961 /nfs/dbraw/zinc/71/29/61/987712961.db2.gz AWKRTXKUPHTUCA-UHFFFAOYSA-N -1 0 344.392 3.642 20 0 EHADRM CCc1c[nH]c2ncnc(Nc3ccc(OCCCC(=O)[O-])cc3)c12 ZINC001597421535 987741320 /nfs/dbraw/zinc/74/13/20/987741320.db2.gz PWPRWRGMNNYHTJ-UHFFFAOYSA-N -1 0 340.383 3.508 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)N2CCC[C@@H](CSC)C2)s1 ZINC001597442442 987805387 /nfs/dbraw/zinc/80/53/87/987805387.db2.gz BAAZLJYRQKPNCU-SNVBAGLBSA-N -1 0 342.486 3.616 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2ccc3oc(C)nc3c2)s1 ZINC001597445495 987817307 /nfs/dbraw/zinc/81/73/07/987817307.db2.gz MICSLJFAVGBCMA-UHFFFAOYSA-N -1 0 330.365 3.711 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cc(Cl)c(Cl)n1C ZINC001597463647 987892593 /nfs/dbraw/zinc/89/25/93/987892593.db2.gz AGACOPDOANTTFF-UHFFFAOYSA-N -1 0 341.194 3.845 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cc2cccc(OC)c2o1 ZINC001597463939 987894876 /nfs/dbraw/zinc/89/48/76/987894876.db2.gz HUTPKJRAGJQISX-UHFFFAOYSA-N -1 0 339.347 3.954 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1ncc2cc(Cl)ccn21 ZINC001597466407 987912936 /nfs/dbraw/zinc/91/29/36/987912936.db2.gz RWCXPBGMWJPDTF-UHFFFAOYSA-N -1 0 343.770 3.501 20 0 EHADRM CC(C)(C)C1CCC(CNC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])CC1 ZINC001589727940 987926044 /nfs/dbraw/zinc/92/60/44/987926044.db2.gz COFNWFPJYUVTQR-BHDPWAOGSA-N -1 0 338.492 3.782 20 0 EHADRM CC(C)(C)[C@@H]1CCC[C@@](NC(=O)[C@H]2C[C@H]2C(=O)[O-])(C(F)(F)F)CC1 ZINC001589727972 987926519 /nfs/dbraw/zinc/92/65/19/987926519.db2.gz DEBWQCHWGQHUDB-JBBSTSQOSA-N -1 0 349.393 3.751 20 0 EHADRM CS[C@H](CNc1cc(C(F)(F)F)c(C(=O)[O-])cn1)C(C)(C)C ZINC001599786668 987933654 /nfs/dbraw/zinc/93/36/54/987933654.db2.gz DOPIBEYEVRWEMN-SNVBAGLBSA-N -1 0 336.379 3.988 20 0 EHADRM CC(C)(C)[C@H]1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CCO1 ZINC001589731415 987948368 /nfs/dbraw/zinc/94/83/68/987948368.db2.gz CQXPEMJGFMJEBZ-CABCVRRESA-N -1 0 325.836 3.603 20 0 EHADRM CC(C)(C)[C@H]1CCCN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC001589732921 987971489 /nfs/dbraw/zinc/97/14/89/987971489.db2.gz SQKVTFCBENMMFK-AWEZNQCLSA-N -1 0 348.443 3.830 20 0 EHADRM CCc1cc(NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)ccc1F ZINC001597481944 987974473 /nfs/dbraw/zinc/97/44/73/987974473.db2.gz VXNQKOIQMRZJLY-UHFFFAOYSA-N -1 0 330.359 3.750 20 0 EHADRM CCc1cc(O)ccc1NC(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001597482717 987980954 /nfs/dbraw/zinc/98/09/54/987980954.db2.gz VYNAXRHXBRKAGE-UHFFFAOYSA-N -1 0 334.397 3.975 20 0 EHADRM CC(C)(C)[C@@H]1CN(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)c2ccccc21 ZINC001589735300 987984385 /nfs/dbraw/zinc/98/43/85/987984385.db2.gz QQPFSUIKFIZPBJ-DINUWMAGSA-N -1 0 342.439 3.599 20 0 EHADRM CCc1ccc(Br)c(N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@@H]23)c1 ZINC001597494878 988039287 /nfs/dbraw/zinc/03/92/87/988039287.db2.gz KAZVXKXFRPULOA-FMCLSXCISA-N -1 0 338.245 3.923 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC001589745808 988043330 /nfs/dbraw/zinc/04/33/30/988043330.db2.gz SWHFEPRPVVQITM-SQWLQELKSA-N -1 0 335.419 3.920 20 0 EHADRM CCc1ccc(C(=O)CCC(=O)Nc2sccc2C(=O)[O-])cc1 ZINC001597498430 988045377 /nfs/dbraw/zinc/04/53/77/988045377.db2.gz BLGPSLHVLMHXRT-UHFFFAOYSA-N -1 0 331.393 3.610 20 0 EHADRM CCc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)c(O)c1 ZINC001597500244 988054256 /nfs/dbraw/zinc/05/42/56/988054256.db2.gz HRSDYMFCDVIAQG-IBGZPJMESA-N -1 0 349.386 3.664 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)c1cccc(C(=O)[O-])n1)c1ccccc1 ZINC001589751810 988056004 /nfs/dbraw/zinc/05/60/04/988056004.db2.gz SBROAYLVFZWHFJ-MRXNPFEDSA-N -1 0 326.396 3.687 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)c1ccc(N2CCCCCC2)cc1)C(=O)[O-] ZINC001589752135 988060712 /nfs/dbraw/zinc/06/07/12/988060712.db2.gz XVUFOBSVWRMSTC-KRWDZBQOSA-N -1 0 346.471 3.686 20 0 EHADRM CCc1nc(NC(=O)c2ccc(CC)c(CC)c2)sc1C(=O)[O-] ZINC001597502880 988070361 /nfs/dbraw/zinc/07/03/61/988070361.db2.gz KRSJRELTAGZKJV-UHFFFAOYSA-N -1 0 332.425 3.781 20 0 EHADRM CSCC[C@@H](C)N(C)C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001599795649 988093345 /nfs/dbraw/zinc/09/33/45/988093345.db2.gz SEPDFPPYCZNXHD-MRVPVSSYSA-N -1 0 348.827 3.783 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N2c3cccc(C)c3C[C@@H]2C(=O)[O-])cc1 ZINC001597512201 988096618 /nfs/dbraw/zinc/09/66/18/988096618.db2.gz RYYAFZYMIHJZES-IFXJQAMLSA-N -1 0 337.419 3.703 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N2c3cccc(C)c3C[C@H]2C(=O)[O-])cc1 ZINC001597512202 988096904 /nfs/dbraw/zinc/09/69/04/988096904.db2.gz RYYAFZYMIHJZES-KUHUBIRLSA-N -1 0 337.419 3.703 20 0 EHADRM CCc1ccc([C@@H](COC)N[C@@H](C(=O)[O-])c2cccc(Cl)c2)o1 ZINC001597513051 988103870 /nfs/dbraw/zinc/10/38/70/988103870.db2.gz JDSBRMBADPVJEC-GDBMZVCRSA-N -1 0 337.803 3.598 20 0 EHADRM CC(C)(C)CCCCNS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001589772000 988128888 /nfs/dbraw/zinc/12/88/88/988128888.db2.gz SYSGXHIZOLDIPT-UHFFFAOYSA-N -1 0 347.864 3.533 20 0 EHADRM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)NC2CC(CC(=O)[O-])C2)o1 ZINC001597517420 988132672 /nfs/dbraw/zinc/13/26/72/988132672.db2.gz MMBZCOUZXWIDQG-WLIAPVHPSA-N -1 0 348.443 3.578 20 0 EHADRM CSCC[C@H](OC(=O)c1ccc(SC(C)C)cc1)C(=O)[O-] ZINC001599798230 988132787 /nfs/dbraw/zinc/13/27/87/988132787.db2.gz JZVPAJLMUKVQDT-ZDUSSCGKSA-N -1 0 328.455 3.550 20 0 EHADRM CCc1ccc([C@H]2CCCN(C(=O)c3cccc(C(=O)[O-])c3)C2)cc1 ZINC001597518218 988135698 /nfs/dbraw/zinc/13/56/98/988135698.db2.gz RPTDRQDLMIKNKY-IBGZPJMESA-N -1 0 337.419 3.967 20 0 EHADRM CCc1ccc(CCC(=O)NC[C@@H](C(=O)[O-])C2CCCCCC2)cc1 ZINC001597523367 988159637 /nfs/dbraw/zinc/15/96/37/988159637.db2.gz PBWHXKPNYZQFKU-LJQANCHMSA-N -1 0 345.483 3.969 20 0 EHADRM CCc1ccc(CN(Cn2nc(C(=O)[O-])c(Cl)c2C)C2CC2)cc1 ZINC001597526006 988168199 /nfs/dbraw/zinc/16/81/99/988168199.db2.gz GEQAXDXAWPACRN-UHFFFAOYSA-N -1 0 347.846 3.728 20 0 EHADRM CSCCc1ccccc1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001599802356 988197686 /nfs/dbraw/zinc/19/76/86/988197686.db2.gz ZTCARQFUUXAOES-UHFFFAOYSA-N -1 0 333.384 3.682 20 0 EHADRM CSCc1cccnc1C(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001599803809 988221326 /nfs/dbraw/zinc/22/13/26/988221326.db2.gz AGUXSXSGOSISPY-UHFFFAOYSA-N -1 0 336.438 3.573 20 0 EHADRM CCc1ccc(NC(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)cc1OC ZINC001597545047 988244971 /nfs/dbraw/zinc/24/49/71/988244971.db2.gz OEQWAQGMYJBJLB-UHFFFAOYSA-N -1 0 346.383 3.521 20 0 EHADRM CCc1ccc(NC(=O)N2CCC(F)(F)C[C@H]2C)c(C(=O)[O-])c1 ZINC001597547119 988255392 /nfs/dbraw/zinc/25/53/92/988255392.db2.gz DJYSVLBKTAPYQJ-SNVBAGLBSA-N -1 0 326.343 3.599 20 0 EHADRM CSc1c(F)cccc1C(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001599806187 988259279 /nfs/dbraw/zinc/25/92/79/988259279.db2.gz PHKDHORTIPBBHC-QGZVFWFLSA-N -1 0 339.432 3.701 20 0 EHADRM O=C(c1ccc(Br)c([O-])c1)N1CC2(CC2)c2ccccc21 ZINC000179403406 1015376353 /nfs/dbraw/zinc/37/63/53/1015376353.db2.gz GZOISGAOEAXBAW-UHFFFAOYSA-N -1 0 344.208 3.847 20 0 EHADRM CCc1ccc(OCC(=O)Nc2ccc(C)c(C)c2C(=O)[O-])cc1 ZINC001597558048 988300468 /nfs/dbraw/zinc/30/04/68/988300468.db2.gz YVQUEUBODNFPBJ-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM CSc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(C)c2)cc1 ZINC001599809685 988312198 /nfs/dbraw/zinc/31/21/98/988312198.db2.gz RBAHDCXTFHKNRE-MRXNPFEDSA-N -1 0 329.421 3.663 20 0 EHADRM CCc1ccc2ccccc2c1CNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001597568282 988323063 /nfs/dbraw/zinc/32/30/63/988323063.db2.gz DPEQFJNMJVMGSJ-DLBZAZTESA-N -1 0 339.435 3.909 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2CCCC2(C)C)cc1 ZINC001599810766 988331007 /nfs/dbraw/zinc/33/10/07/988331007.db2.gz GOTITDPSQADTHU-GJZGRUSLSA-N -1 0 335.469 3.867 20 0 EHADRM CCc1ccc2occ(C(=O)Nc3ccc(C(=O)[O-])cc3OC)c2c1 ZINC001597570417 988344162 /nfs/dbraw/zinc/34/41/62/988344162.db2.gz HZKGTRATIPBVTR-UHFFFAOYSA-N -1 0 339.347 3.954 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)COc1cc(C)ccc1C ZINC001597572825 988355519 /nfs/dbraw/zinc/35/55/19/988355519.db2.gz NPFDXTTUJSVPRY-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM CSc1ccc(C)c(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)c1 ZINC001599812188 988356329 /nfs/dbraw/zinc/35/63/29/988356329.db2.gz RXKRSEPTZBXLMP-UHFFFAOYSA-N -1 0 345.420 3.823 20 0 EHADRM CSc1ccc(/C=C\C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)s1 ZINC001599812548 988362308 /nfs/dbraw/zinc/36/23/08/988362308.db2.gz MWZHHLLKTSSJEK-YHWKNFMLSA-N -1 0 347.461 3.768 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)[C@@H](CC)Oc1ccccc1F ZINC001597575946 988363293 /nfs/dbraw/zinc/36/32/93/988363293.db2.gz GFOABRZILPIKLC-OAHLLOKOSA-N -1 0 345.370 3.882 20 0 EHADRM CCc1cccc(C)c1NC(=O)CSCc1cccc(C(=O)[O-])n1 ZINC001597579423 988379780 /nfs/dbraw/zinc/37/97/80/988379780.db2.gz XNXMFNRMHARRIP-UHFFFAOYSA-N -1 0 344.436 3.523 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N2CCc3c2cccc3C(=O)[O-])c1 ZINC001599814429 988395871 /nfs/dbraw/zinc/39/58/71/988395871.db2.gz KJRGBUGFVGWTTD-UHFFFAOYSA-N -1 0 347.823 3.963 20 0 EHADRM CSc1ccc(Cl)c(NC(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC001599815061 988407457 /nfs/dbraw/zinc/40/74/57/988407457.db2.gz VSCDPYFEEABMKK-UHFFFAOYSA-N -1 0 342.848 3.827 20 0 EHADRM CSc1ccc(NC(=O)N2CCC[C@H]3CCC[C@H]32)cc1C(=O)[O-] ZINC001599816331 988430518 /nfs/dbraw/zinc/43/05/18/988430518.db2.gz DDICKUPGLDUKQF-BXUZGUMPSA-N -1 0 334.441 3.903 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1ccn(C2CCCC2)n1 ZINC001597594802 988433976 /nfs/dbraw/zinc/43/39/76/988433976.db2.gz VCCHLVMPYPTORS-UHFFFAOYSA-N -1 0 327.384 3.511 20 0 EHADRM CSc1ccc(NC(=O)c2cccc3ncccc32)cc1C(=O)[O-] ZINC001599816754 988439649 /nfs/dbraw/zinc/43/96/49/988439649.db2.gz BAGSTUHFZQFOKR-UHFFFAOYSA-N -1 0 338.388 3.907 20 0 EHADRM CCc1cccc(NC(=S)Nc2ccc(C(=O)[O-])cc2OC)c1 ZINC001597595421 988440011 /nfs/dbraw/zinc/44/00/11/988440011.db2.gz OUYLRJPBYFRNCZ-UHFFFAOYSA-N -1 0 330.409 3.765 20 0 EHADRM CSc1ccc(NC(=O)NC2(C3CCC3)CCC2)cc1C(=O)[O-] ZINC001599817125 988445865 /nfs/dbraw/zinc/44/58/65/988445865.db2.gz DJGXCANALHOCQL-UHFFFAOYSA-N -1 0 334.441 3.951 20 0 EHADRM CC(C)(C)OC(=O)CCC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001589871963 988501412 /nfs/dbraw/zinc/50/14/12/988501412.db2.gz LWHIPGUUUYHQFH-UHFFFAOYSA-N -1 0 349.408 3.660 20 0 EHADRM CSc1ccc(NC[C@@H]2C[C@]2(C)Br)cc1C(=O)[O-] ZINC001599820772 988509814 /nfs/dbraw/zinc/50/98/14/988509814.db2.gz LYOJIWBZHLLFOK-SDBXPKJASA-N -1 0 330.247 3.692 20 0 EHADRM CSc1ccc([C@H](C)NC(=O)/C=C/c2cc(C(=O)[O-])co2)cc1 ZINC001599820899 988512147 /nfs/dbraw/zinc/51/21/47/988512147.db2.gz GNFBQRIHDKQPRB-BWNDKRECSA-N -1 0 331.393 3.590 20 0 EHADRM CSc1ccc([C@@H](C)NC(=O)c2ccsc2CC(=O)[O-])cc1 ZINC001599821255 988518508 /nfs/dbraw/zinc/51/85/08/988518508.db2.gz RLGLWVGZGBVXIS-SNVBAGLBSA-N -1 0 335.450 3.588 20 0 EHADRM CSc1cccc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c1 ZINC001599821468 988521890 /nfs/dbraw/zinc/52/18/90/988521890.db2.gz CIFWYIFCTLEADA-JKSUJKDBSA-N -1 0 327.405 3.849 20 0 EHADRM CCc1ccccc1OCCC(=O)Nc1c(CC)cccc1C(=O)[O-] ZINC001597615976 988535130 /nfs/dbraw/zinc/53/51/30/988535130.db2.gz BCTSFDBOKDGJFU-UHFFFAOYSA-N -1 0 341.407 3.917 20 0 EHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC001597621078 988543863 /nfs/dbraw/zinc/54/38/63/988543863.db2.gz BYBURVCAPDBUIX-ZWKOTPCHSA-N -1 0 335.403 3.640 20 0 EHADRM CSc1cccc(F)c1C(=O)OCc1cc(C(=O)[O-])ccc1F ZINC001599823380 988553654 /nfs/dbraw/zinc/55/36/54/988553654.db2.gz ALJAORBZDPLGRO-UHFFFAOYSA-N -1 0 338.331 3.742 20 0 EHADRM CSc1cccc(F)c1C(=O)OCc1ccc(C(=O)[O-])cc1F ZINC001599824417 988572894 /nfs/dbraw/zinc/57/28/94/988572894.db2.gz WDJZCJRMJBMAFJ-UHFFFAOYSA-N -1 0 338.331 3.742 20 0 EHADRM CCc1ccsc1C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001597626603 988579016 /nfs/dbraw/zinc/57/90/16/988579016.db2.gz WVOMLGOWFGJLNQ-HNNXBMFYSA-N -1 0 343.448 3.859 20 0 EHADRM CCc1cnccc1[C@@H](C)NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001597637048 988621657 /nfs/dbraw/zinc/62/16/57/988621657.db2.gz UFFZFSIAVAMJLL-CYBMUJFWSA-N -1 0 341.411 3.544 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cc(F)cc(Cl)c1 ZINC001599832695 988698035 /nfs/dbraw/zinc/69/80/35/988698035.db2.gz ZUHZOGBHMXTONY-NSHDSACASA-N -1 0 335.762 3.595 20 0 EHADRM CCc1nc(C(C)C)ccc1COc1ccc(C(=O)[O-])cc1C=O ZINC001597652210 988698147 /nfs/dbraw/zinc/69/81/47/988698147.db2.gz LEROKTSPEKICTQ-UHFFFAOYSA-N -1 0 327.380 3.857 20 0 EHADRM CN(C(=O)c1c([O-])cccc1F)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000274813746 1015414904 /nfs/dbraw/zinc/41/49/04/1015414904.db2.gz WCKZXPGKXPCIKN-WMLDXEAASA-N -1 0 347.361 3.663 20 0 EHADRM CCc1nc(NC(=O)CCc2ccccc2Cl)sc1C(=O)[O-] ZINC001597677820 988793451 /nfs/dbraw/zinc/79/34/51/988793451.db2.gz BJYVEUNWKLJSEH-UHFFFAOYSA-N -1 0 338.816 3.628 20 0 EHADRM CCc1nc(NC(=O)CC[C@@H]2CCc3ccccc32)sc1C(=O)[O-] ZINC001597678621 988798944 /nfs/dbraw/zinc/79/89/44/988798944.db2.gz SJSDRKGGXKBNAI-LBPRGKRZSA-N -1 0 344.436 3.852 20 0 EHADRM CCc1nc(NC(=O)c2ccc3nc(C)sc3c2)sc1C(=O)[O-] ZINC001597685438 988833859 /nfs/dbraw/zinc/83/38/59/988833859.db2.gz SJXRUHKTGBYFSI-UHFFFAOYSA-N -1 0 347.421 3.574 20 0 EHADRM CCc1nc2cc(NC(=O)N[C@H](CC(=O)[O-])C3CCCC3)ccc2o1 ZINC001597691456 988884131 /nfs/dbraw/zinc/88/41/31/988884131.db2.gz SUZUYKFWJDSULM-CYBMUJFWSA-N -1 0 345.399 3.545 20 0 EHADRM CCc1ncsc1NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001597712767 988977619 /nfs/dbraw/zinc/97/76/19/988977619.db2.gz ZIOKKXHAHURCMX-ZDUSSCGKSA-N -1 0 347.440 3.679 20 0 EHADRM CCc1oc(CN2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1C(=O)[O-] ZINC001597795479 989347643 /nfs/dbraw/zinc/34/76/43/989347643.db2.gz BUKWNIXHQUFSKM-KZULUSFZSA-N -1 0 347.386 3.641 20 0 EHADRM CCc1oc(CNc2cnn(CC(C)C)c2C2CC2)cc1C(=O)[O-] ZINC001597805233 989411720 /nfs/dbraw/zinc/41/17/20/989411720.db2.gz YWESMJVDNIJZBN-UHFFFAOYSA-N -1 0 331.416 3.882 20 0 EHADRM CCc1oc2ccccc2c1CC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-] ZINC001597807787 989421393 /nfs/dbraw/zinc/42/13/93/989421393.db2.gz KOYGUCOPHCRGHO-YWZLYKJASA-N -1 0 343.423 3.687 20 0 EHADRM CCc1oc2ccccc2c1CC(=O)NC(CC)(CC)CC(=O)[O-] ZINC001597807795 989421529 /nfs/dbraw/zinc/42/15/29/989421529.db2.gz KTXPWTAMLIKGME-UHFFFAOYSA-N -1 0 331.412 3.687 20 0 EHADRM C[C@@H]1C[C@H](C(=O)O[C@@H](c2ccccc2)C2CCCCC2)O[C@H]1C(=O)[O-] ZINC001599878917 989457247 /nfs/dbraw/zinc/45/72/47/989457247.db2.gz LBHBRMFNDSYZDX-PILAGYSTSA-N -1 0 346.423 3.729 20 0 EHADRM CCn1c(C)nnc1S[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001597844765 989559785 /nfs/dbraw/zinc/55/97/85/989559785.db2.gz RNJXVSJWWNIEPH-NSHDSACASA-N -1 0 346.239 3.831 20 0 EHADRM CCn1nc(C2CC2)cc1C(=O)Nc1c(C)ccc(Cl)c1C(=O)[O-] ZINC001597946038 989931133 /nfs/dbraw/zinc/93/11/33/989931133.db2.gz LMSBWUVRQBHOHM-UHFFFAOYSA-N -1 0 347.802 3.693 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)N(CC(=O)[O-])c2cccc(F)c2)cc1 ZINC001590409886 989949498 /nfs/dbraw/zinc/94/94/98/989949498.db2.gz OXOWCQPLAHGMJR-UHFFFAOYSA-N -1 0 345.370 3.734 20 0 EHADRM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC001590434754 989991956 /nfs/dbraw/zinc/99/19/56/989991956.db2.gz IEPGWWGSMDMELW-ZACQAIPSSA-N -1 0 325.408 3.764 20 0 EHADRM CC(C)(C)c1ccc(CC(=O)N[C@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001590479692 990055105 /nfs/dbraw/zinc/05/51/05/990055105.db2.gz GXQJUSGNIJYVBE-SFHVURJKSA-N -1 0 331.456 3.676 20 0 EHADRM CC(C)(C)c1ccc(CCC(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC001590484862 990080368 /nfs/dbraw/zinc/08/03/68/990080368.db2.gz GUPCPWMUDMYJOQ-UHFFFAOYSA-N -1 0 331.456 3.820 20 0 EHADRM CN(C(=O)C1CC1)c1ccc(Nc2ncc(C(=O)[O-])cc2Cl)cc1 ZINC001597998069 990119724 /nfs/dbraw/zinc/11/97/24/990119724.db2.gz YZYCSVHVBNHBAJ-UHFFFAOYSA-N -1 0 345.786 3.550 20 0 EHADRM CC(C)(C)c1cnc(NC(=O)NCC2(C(=O)[O-])CCCCC2)s1 ZINC001590515701 990130047 /nfs/dbraw/zinc/13/00/47/990130047.db2.gz BOQZUXQBKPVLQU-UHFFFAOYSA-N -1 0 339.461 3.597 20 0 EHADRM CC(C)(C)c1csc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)n1 ZINC001590527144 990140593 /nfs/dbraw/zinc/14/05/93/990140593.db2.gz UNQHUOBOOJUEMR-NSHDSACASA-N -1 0 344.436 3.659 20 0 EHADRM CC(C)(C)c1csc(C(=O)Nc2c(F)ccc(F)c2C(=O)[O-])n1 ZINC001590532361 990143700 /nfs/dbraw/zinc/14/37/00/990143700.db2.gz HAMSBVRPFOSRKU-UHFFFAOYSA-N -1 0 340.351 3.669 20 0 EHADRM CC(C)(C)c1nc(NC(=O)[C@@H]2CCCCC2(F)F)sc1C(=O)[O-] ZINC001590541638 990166182 /nfs/dbraw/zinc/16/61/82/990166182.db2.gz CURXVDCEHNJGFQ-QMMMGPOBSA-N -1 0 346.399 3.903 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)N[C@H]3CCC[C@H]3C(=O)[O-])ccc2o1 ZINC001590545898 990185615 /nfs/dbraw/zinc/18/56/15/990185615.db2.gz UWVRXCAMCMBHLQ-NEPJUHHUSA-N -1 0 345.399 3.500 20 0 EHADRM CC(C)(C)c1nnc(NCc2cc(C(=O)[O-])ccc2Cl)s1 ZINC001590575885 990220996 /nfs/dbraw/zinc/22/09/96/990220996.db2.gz ZRKIEFNOBKMWNB-UHFFFAOYSA-N -1 0 325.821 3.799 20 0 EHADRM CC(C)(C)n1nc(C(=O)O[C@@H](C(=O)[O-])c2ccsc2)cc1C1CC1 ZINC001590601184 990257546 /nfs/dbraw/zinc/25/75/46/990257546.db2.gz AGRTWSCOEOXZKN-CQSZACIVSA-N -1 0 348.424 3.560 20 0 EHADRM CC(C)(C)n1nnc(CSc2cc3ccccc3cc2C(=O)[O-])n1 ZINC001590613928 990282151 /nfs/dbraw/zinc/28/21/51/990282151.db2.gz SIWGJDAXSZNGDR-UHFFFAOYSA-N -1 0 342.424 3.572 20 0 EHADRM CN(C(=O)NCCCCCCC(=O)[O-])[C@H]1CCC[C@H]1C(C)(C)C ZINC001598047454 990287187 /nfs/dbraw/zinc/28/71/87/990287187.db2.gz QNEGZDJQJGUNET-CABCVRRESA-N -1 0 326.481 3.878 20 0 EHADRM CN(C(=O)NC1CC(CC(=O)[O-])C1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001598049593 990298601 /nfs/dbraw/zinc/29/86/01/990298601.db2.gz UXNLHCGEFCQCEP-XAWIXRBMSA-N -1 0 344.455 3.608 20 0 EHADRM CN(C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)C1CCCCC1 ZINC001598052193 990308770 /nfs/dbraw/zinc/30/87/70/990308770.db2.gz GDIXZQWFMJBMEA-HNNXBMFYSA-N -1 0 338.835 3.830 20 0 EHADRM CN(C(=O)Nc1cccc2cc(C(=O)[O-])sc21)[C@H]1CCSC1 ZINC001598061617 990334084 /nfs/dbraw/zinc/33/40/84/990334084.db2.gz JLXPJZXDKIUSDY-JTQLQIEISA-N -1 0 336.438 3.569 20 0 EHADRM CC(C)(CC(F)(F)F)NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001590649061 990336298 /nfs/dbraw/zinc/33/62/98/990336298.db2.gz QAQOAYKWVTZGNB-UHFFFAOYSA-N -1 0 332.322 3.556 20 0 EHADRM CC(C)(CCNC(=O)N[C@H]1CCCC[C@H]1c1ccccc1)C(=O)[O-] ZINC001590679978 990392805 /nfs/dbraw/zinc/39/28/05/990392805.db2.gz NNNLKNQCFFQMBH-HOTGVXAUSA-N -1 0 332.444 3.513 20 0 EHADRM CN(C(=O)c1ccc(-c2cccs2)s1)C1(C(=O)[O-])CCCC1 ZINC001598081887 990397288 /nfs/dbraw/zinc/39/72/88/990397288.db2.gz GNDBMBCBRNKIEE-UHFFFAOYSA-N -1 0 335.450 3.946 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])o1)c1nc2cccc(Cl)c2s1 ZINC001598083185 990407682 /nfs/dbraw/zinc/40/76/82/990407682.db2.gz RKRGASCFMWCYLJ-UHFFFAOYSA-N -1 0 336.756 3.518 20 0 EHADRM CN(C(=O)c1ccc([C@@H]2CCCOC2)cc1)c1ccccc1C(=O)[O-] ZINC001598083425 990411645 /nfs/dbraw/zinc/41/16/45/990411645.db2.gz XMAAFMZRESQLAH-MRXNPFEDSA-N -1 0 339.391 3.555 20 0 EHADRM CN(C(=O)c1ccc(Cl)cc1C(F)(F)F)C1(C(=O)[O-])CCCC1 ZINC001598085623 990415739 /nfs/dbraw/zinc/41/57/39/990415739.db2.gz NPARSTMQDDVDQB-UHFFFAOYSA-N -1 0 349.736 3.828 20 0 EHADRM CN(C(=O)c1cccc(CC(=O)[O-])c1)c1cc(Cl)cc(Cl)c1 ZINC001598089429 990431264 /nfs/dbraw/zinc/43/12/64/990431264.db2.gz UTHZVMJNTFQUCV-UHFFFAOYSA-N -1 0 338.190 3.897 20 0 EHADRM CN(C(=O)c1ccccc1)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598093872 990443845 /nfs/dbraw/zinc/44/38/45/990443845.db2.gz TWCZVDYABRVKLK-AWEZNQCLSA-N -1 0 338.190 3.891 20 0 EHADRM CN(C(=O)c1ccnc(C(=O)[O-])c1)c1ccc2c(c1)oc1ccccc12 ZINC001598094364 990447257 /nfs/dbraw/zinc/44/72/57/990447257.db2.gz YTZPMXYSTOSWSE-UHFFFAOYSA-N -1 0 346.342 3.956 20 0 EHADRM CC(C)(CNC(=O)C1(c2ccc(Cl)cc2)CCCC1)CC(=O)[O-] ZINC001590706054 990449201 /nfs/dbraw/zinc/44/92/01/990449201.db2.gz FUCAXPMDZDXNRR-UHFFFAOYSA-N -1 0 337.847 3.769 20 0 EHADRM CC(C)(Cc1nc(-c2cc(C(=O)[O-])co2)no1)c1ccc(F)cc1 ZINC001590827376 990674437 /nfs/dbraw/zinc/67/44/37/990674437.db2.gz QHLXKILTJNBARF-UHFFFAOYSA-N -1 0 330.315 3.687 20 0 EHADRM CC(C)(NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)[C@H]1CCCCO1 ZINC001590856061 990745180 /nfs/dbraw/zinc/74/51/80/990745180.db2.gz YXCVNZJACZRLCZ-CYBMUJFWSA-N -1 0 340.807 3.507 20 0 EHADRM CC(C)(NCc1ccc(Cl)c2cccnc12)c1nocc1C(=O)[O-] ZINC001590871541 990779415 /nfs/dbraw/zinc/77/94/15/990779415.db2.gz ZOSHGQVOPZNNFL-UHFFFAOYSA-N -1 0 345.786 3.599 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)N2CCCCC[C@@H]2C(=O)[O-])c1 ZINC001590924222 990920883 /nfs/dbraw/zinc/92/08/83/990920883.db2.gz CVGQLPLWFDIXOK-QGZVFWFLSA-N -1 0 331.412 3.501 20 0 EHADRM CC(C)C(=O)c1ccc([C@H](C)C(=O)OCc2ccc(C(=O)[O-])o2)cc1 ZINC001590948930 991002709 /nfs/dbraw/zinc/00/27/09/991002709.db2.gz GQBKAYRWAYBEPC-LBPRGKRZSA-N -1 0 344.363 3.663 20 0 EHADRM CC(C)[C@@H](C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)c1ccc(F)cc1 ZINC001590952835 991016531 /nfs/dbraw/zinc/01/65/31/991016531.db2.gz LIWHDAGLFDMSKA-WRWLIDTKSA-N -1 0 347.430 3.669 20 0 EHADRM CC(C)[C@@H](C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1)c1ccccc1 ZINC001590958263 991047616 /nfs/dbraw/zinc/04/76/16/991047616.db2.gz VCDIXNOEYUDDPX-QZTJIDSGSA-N -1 0 331.456 3.824 20 0 EHADRM CC(C)[C@@H](C)C(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001590969545 991097206 /nfs/dbraw/zinc/09/72/06/991097206.db2.gz FDFOKWADYPQSKH-GFCCVEGCSA-N -1 0 328.368 3.803 20 0 EHADRM CC(C)[C@H](CC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)c1ccccc1 ZINC001590976016 991119936 /nfs/dbraw/zinc/11/99/36/991119936.db2.gz JJGCQRQFZMLFLW-ZWOKBUDYSA-N -1 0 329.440 3.530 20 0 EHADRM CC(C)[C@@H](CC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)c1ccccc1 ZINC001590976015 991119957 /nfs/dbraw/zinc/11/99/57/991119957.db2.gz JJGCQRQFZMLFLW-QKLQHJQFSA-N -1 0 329.440 3.530 20 0 EHADRM CC(C)[C@@H](CC1CCCCC1)C(=O)NCc1ccnc(C(=O)[O-])c1 ZINC001590981541 991142339 /nfs/dbraw/zinc/14/23/39/991142339.db2.gz WJEVYIIJECEWFA-MRXNPFEDSA-N -1 0 332.444 3.639 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001590992847 991207992 /nfs/dbraw/zinc/20/79/92/991207992.db2.gz BIZMVOJRGOSRDH-KRWDZBQOSA-N -1 0 343.398 3.906 20 0 EHADRM COc1ccccc1C1(C(=O)OC2CC(CC(=O)[O-])C2)CCCCC1 ZINC001599702102 991235158 /nfs/dbraw/zinc/23/51/58/991235158.db2.gz IIKKBASZIREYEG-UHFFFAOYSA-N -1 0 346.423 3.694 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)c1ccc(C(C)(F)F)cc1 ZINC001598300085 991240973 /nfs/dbraw/zinc/24/09/73/991240973.db2.gz CCGOHXDMZHROEQ-UHFFFAOYSA-N -1 0 348.349 3.815 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)c1cc2occc2s1 ZINC001598300480 991244005 /nfs/dbraw/zinc/24/40/05/991244005.db2.gz MBYDJZQWHGDKSH-UHFFFAOYSA-N -1 0 330.365 3.511 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)Nc1scc(C(=O)[O-])c1C ZINC001599708076 991323875 /nfs/dbraw/zinc/32/38/75/991323875.db2.gz DUTRTFGIDCKLDQ-NSHDSACASA-N -1 0 347.436 3.971 20 0 EHADRM CN(C)c1ccc(OC(=O)c2cccc(C3CC3)c2)cc1C(=O)[O-] ZINC001598328596 991352840 /nfs/dbraw/zinc/35/28/40/991352840.db2.gz USZKALKKRCUATF-UHFFFAOYSA-N -1 0 325.364 3.547 20 0 EHADRM CC(C)[C@@H](Sc1ccccc1)C(=O)OCc1ccc(C(=O)[O-])cn1 ZINC001591051389 991449984 /nfs/dbraw/zinc/44/99/84/991449984.db2.gz AFVQPXCYERKCGJ-MRXNPFEDSA-N -1 0 345.420 3.640 20 0 EHADRM CC(C)[C@H](SC(C)(C)C(C)C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001591052443 991459320 /nfs/dbraw/zinc/45/93/20/991459320.db2.gz RKFXUCBCLTZRGE-AWEZNQCLSA-N -1 0 329.506 3.502 20 0 EHADRM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)OC1CC(CC(=O)[O-])C1 ZINC001591052466 991459376 /nfs/dbraw/zinc/45/93/76/991459376.db2.gz SAPVFBVDNHJGLY-HFLCMSJXSA-N -1 0 340.803 3.540 20 0 EHADRM COc1ccccc1OCCSCCc1ccccc1C(=O)[O-] ZINC001599717111 991474587 /nfs/dbraw/zinc/47/45/87/991474587.db2.gz CATZGCFQQWMASX-UHFFFAOYSA-N -1 0 332.421 3.748 20 0 EHADRM COc1ccccc1OCCS[C@H](Cc1ccc(C)cc1)C(=O)[O-] ZINC001599717150 991475770 /nfs/dbraw/zinc/47/57/70/991475770.db2.gz DBWRLQPKYUUEQK-GOSISDBHSA-N -1 0 346.448 3.812 20 0 EHADRM CC(C)[C@]1(C)C[C@@H]1C(=O)Oc1ccc(C(=O)[O-])cc1Br ZINC001591061646 991503010 /nfs/dbraw/zinc/50/30/10/991503010.db2.gz MPICBFKMFMKSMB-BMIGLBTASA-N -1 0 341.201 3.735 20 0 EHADRM CC(C)[C@]1(C)C[C@H]1NC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001591062491 991508625 /nfs/dbraw/zinc/50/86/25/991508625.db2.gz WNEFORKYFKRFDE-PBHICJAKSA-N -1 0 336.457 3.561 20 0 EHADRM CC(C)[C@@H]1C[C@H](CC(=O)Oc2cc(Cl)ccc2C(=O)[O-])CCO1 ZINC001591072040 991533394 /nfs/dbraw/zinc/53/33/94/991533394.db2.gz JODAYBBUUDSNTF-RISCZKNCSA-N -1 0 340.803 3.785 20 0 EHADRM CC(C)[C@H]1C[C@H](CC(=O)Nc2cccc(Cl)c2C(=O)[O-])CCO1 ZINC001591072519 991535302 /nfs/dbraw/zinc/53/53/02/991535302.db2.gz MWHDBGFDSBWOLB-BXUZGUMPSA-N -1 0 339.819 3.818 20 0 EHADRM COc1ccnc(CSc2cc(Cl)ccc2C(=O)[O-])c1OC ZINC001599720927 991536733 /nfs/dbraw/zinc/53/67/33/991536733.db2.gz TWGPGWUECHQEEL-UHFFFAOYSA-N -1 0 339.800 3.743 20 0 EHADRM CC(C)[C@H]1C[C@H]1C(=O)Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1 ZINC001591080398 991582876 /nfs/dbraw/zinc/58/28/76/991582876.db2.gz QOWFWCUHDLCPDU-CHWSQXEVSA-N -1 0 330.409 3.739 20 0 EHADRM CC(C)C1CCC(CNC(=O)NCCc2ccccc2C(=O)[O-])CC1 ZINC001591080855 991588184 /nfs/dbraw/zinc/58/81/84/991588184.db2.gz VNTBPJUACLDVJT-UHFFFAOYSA-N -1 0 346.471 3.689 20 0 EHADRM COc1cncc(/C=C\CCNc2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC001599726183 991629164 /nfs/dbraw/zinc/62/91/64/991629164.db2.gz GIOGHZBECIIZBR-QTLSWZBMSA-N -1 0 340.423 3.869 20 0 EHADRM COc1cncc(/C=C\CCN2C[C@@H](CC(=O)[O-])c3ccccc32)c1 ZINC001599726380 991633852 /nfs/dbraw/zinc/63/38/52/991633852.db2.gz JWMWLJSEZRNWNS-DQOPKJQZSA-N -1 0 338.407 3.572 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)NCCCCCCC(=O)[O-])c2ccccc21 ZINC001591092725 991646894 /nfs/dbraw/zinc/64/68/94/991646894.db2.gz DPGHACSYCFGREQ-INIZCTEOSA-N -1 0 332.444 3.991 20 0 EHADRM CN(CC(=O)Nc1cccc(C(=O)[O-])c1)c1cccc2ccccc21 ZINC001598401201 991697662 /nfs/dbraw/zinc/69/76/62/991697662.db2.gz YHRJPOYRAGXUBT-UHFFFAOYSA-N -1 0 334.375 3.613 20 0 EHADRM CC(C)[C@H]1N(C(=O)Nc2cc(C(=O)[O-])cnc2Cl)CC12CC=CC2 ZINC001591100226 991721022 /nfs/dbraw/zinc/72/10/22/991721022.db2.gz VUHXMTVEDLPRGC-CYBMUJFWSA-N -1 0 349.818 3.642 20 0 EHADRM CC(C)[C@@H]1N(C(=O)Nc2ccc(CC(=O)[O-])cc2)CC12CCCC2 ZINC001591100410 991724193 /nfs/dbraw/zinc/72/41/93/991724193.db2.gz YBUCUMQPJUFHAJ-KRWDZBQOSA-N -1 0 330.428 3.746 20 0 EHADRM CC(C)C[C@H](C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001591118206 991781004 /nfs/dbraw/zinc/78/10/04/991781004.db2.gz NPFJMTWOAFJIRL-OCCSQVGLSA-N -1 0 346.452 3.848 20 0 EHADRM CC(C)C[C@H](C)n1nccc1NC(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001591138666 991860153 /nfs/dbraw/zinc/86/01/53/991860153.db2.gz RACYPYKTKCALIO-NSHDSACASA-N -1 0 333.363 3.580 20 0 EHADRM CC(C)C[C@H](CNC(=O)/C=C/c1ccccc1C(F)(F)F)C(=O)[O-] ZINC001591146669 991884232 /nfs/dbraw/zinc/88/42/32/991884232.db2.gz IYPMOSIRGKFOKN-SBDDDAINSA-N -1 0 343.345 3.582 20 0 EHADRM CC(C)C[C@@H](OC(=O)c1cccc(CC(=O)[O-])c1)c1ccccn1 ZINC001591190934 991998299 /nfs/dbraw/zinc/99/82/99/991998299.db2.gz GGWJPQZZTKLPAY-QGZVFWFLSA-N -1 0 327.380 3.653 20 0 EHADRM CC(C)CC1(NC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)CC1 ZINC001591197845 992021867 /nfs/dbraw/zinc/02/18/67/992021867.db2.gz QWWQSTBBZREXLB-UHFFFAOYSA-N -1 0 340.807 3.504 20 0 EHADRM CN(CCC(F)(F)F)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001598470831 992023677 /nfs/dbraw/zinc/02/36/77/992023677.db2.gz UWHHHJVVVPUDHL-UHFFFAOYSA-N -1 0 340.301 3.954 20 0 EHADRM CC(C)CCO[C@H](C)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001591256288 992155218 /nfs/dbraw/zinc/15/52/18/992155218.db2.gz HTDXOCNXSUQMJQ-CYBMUJFWSA-N -1 0 329.396 3.928 20 0 EHADRM CC(C)CCOc1ccccc1NC(=O)NCc1ccoc1C(=O)[O-] ZINC001591265915 992175560 /nfs/dbraw/zinc/17/55/60/992175560.db2.gz FYLUYHJZRFEYAZ-UHFFFAOYSA-N -1 0 346.383 3.724 20 0 EHADRM CC(C)CCSCC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001591266391 992179576 /nfs/dbraw/zinc/17/95/76/992179576.db2.gz DXVJAFYYRNPFQM-UHFFFAOYSA-N -1 0 333.812 3.895 20 0 EHADRM CC(C)CCc1ccccc1NC(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC001591270281 992189077 /nfs/dbraw/zinc/18/90/77/992189077.db2.gz NZNXOLJKVRTZRA-INIZCTEOSA-N -1 0 332.444 3.898 20 0 EHADRM CC(C)CCc1nc(CN2CCc3cccc(C(=O)[O-])c3C2)cs1 ZINC001591270596 992190842 /nfs/dbraw/zinc/19/08/42/992190842.db2.gz WNCFHMWPHYGMFY-UHFFFAOYSA-N -1 0 344.480 3.988 20 0 EHADRM CC(C)CN(C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C)C1CCCC1 ZINC001591280234 992207130 /nfs/dbraw/zinc/20/71/30/992207130.db2.gz GWXXZRLXLXIAET-UHFFFAOYSA-N -1 0 347.459 3.883 20 0 EHADRM CC(C)CN(C(=O)COc1c(C(=O)[O-])ccc2ccccc21)C1CC1 ZINC001591281069 992212079 /nfs/dbraw/zinc/21/20/79/992212079.db2.gz WUPYOVWOKFXXHX-UHFFFAOYSA-N -1 0 341.407 3.564 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)CCCc1ccc2c(c1)CCCC2 ZINC001591323533 992295682 /nfs/dbraw/zinc/29/56/82/992295682.db2.gz LHCCCJKSFRBXJF-UHFFFAOYSA-N -1 0 345.483 3.847 20 0 EHADRM CS[C@H](C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1)c1ccccc1 ZINC001599780295 992355871 /nfs/dbraw/zinc/35/58/71/992355871.db2.gz HPLBKNRCBUSXMV-LRDDRELGSA-N -1 0 329.421 3.918 20 0 EHADRM CS[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC001599780319 992356090 /nfs/dbraw/zinc/35/60/90/992356090.db2.gz HZHBPWYILKAVGU-RDJZCZTQSA-N -1 0 347.411 3.562 20 0 EHADRM CN(CCOC(C)(C)C)[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001598496999 992381031 /nfs/dbraw/zinc/38/10/31/992381031.db2.gz UBTTUKPDQQSUFX-ZDUSSCGKSA-N -1 0 334.243 3.866 20 0 EHADRM CS[C@H](C)CCC(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1 ZINC001599782573 992384002 /nfs/dbraw/zinc/38/40/02/992384002.db2.gz FUWRYYWXCCJYCV-UKRRQHHQSA-N -1 0 329.506 3.838 20 0 EHADRM CS[C@@H](C)CCC(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC001599782710 992385514 /nfs/dbraw/zinc/38/55/14/992385514.db2.gz IUNJSNAHKLVRKY-QMMMGPOBSA-N -1 0 346.246 3.618 20 0 EHADRM CS[C@@H](C)CCC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001599782760 992386989 /nfs/dbraw/zinc/38/69/89/992386989.db2.gz JVYMZQXQZWLCBM-QMMMGPOBSA-N -1 0 346.246 3.618 20 0 EHADRM CN(CCOc1ccc(/C=C\C(=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC001598498984 992404301 /nfs/dbraw/zinc/40/43/01/992404301.db2.gz ZOGKDLMBCPBWAD-WTKPLQERSA-N -1 0 333.334 3.578 20 0 EHADRM CC(C)COC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccco1 ZINC001591390694 992445990 /nfs/dbraw/zinc/44/59/90/992445990.db2.gz KDILAWHJVYYREY-OAHLLOKOSA-N -1 0 346.383 3.513 20 0 EHADRM CC(C)COc1ccc([C@@H](C)OC(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001591401963 992480188 /nfs/dbraw/zinc/48/01/88/992480188.db2.gz YRVCZAOUTGIPLX-GFCCVEGCSA-N -1 0 332.352 3.931 20 0 EHADRM CN(Cc1ccc(-c2ccc(Cl)cc2)o1)c1cncc(C(=O)[O-])n1 ZINC001598508843 992541702 /nfs/dbraw/zinc/54/17/02/992541702.db2.gz GERSPTUTTRUDPD-UHFFFAOYSA-N -1 0 343.770 3.725 20 0 EHADRM CC(C)Cc1c[nH]c(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC001591475682 992590491 /nfs/dbraw/zinc/59/04/91/992590491.db2.gz BZOCHCHHNRPZAW-OAHLLOKOSA-N -1 0 348.830 3.812 20 0 EHADRM CC(C)Cc1ccc(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc1 ZINC001591477430 992597919 /nfs/dbraw/zinc/59/79/19/992597919.db2.gz QVVHXCFSIQAJQG-YLJYHZDGSA-N -1 0 329.440 3.602 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)N(CCC(=O)[O-])CC(C)C)cc1 ZINC001591483818 992605876 /nfs/dbraw/zinc/60/58/76/992605876.db2.gz MTWJFTJKXPXGEZ-UHFFFAOYSA-N -1 0 333.472 3.777 20 0 EHADRM CC(C)Cc1ccc(CC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1 ZINC001591484272 992609077 /nfs/dbraw/zinc/60/90/77/992609077.db2.gz LZTUSOCXYHOSED-UHFFFAOYSA-N -1 0 343.398 3.833 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)Nc2cccc(C(=O)[O-])n2)cc1 ZINC001591489003 992618729 /nfs/dbraw/zinc/61/87/29/992618729.db2.gz MTVOOBOCGIFRSQ-ZDUSSCGKSA-N -1 0 326.396 3.721 20 0 EHADRM CN(Cc1ccc2ccccc2c1)C(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC001598524429 992701537 /nfs/dbraw/zinc/70/15/37/992701537.db2.gz GNJAAOZJVAQGQV-UHFFFAOYSA-N -1 0 337.419 3.833 20 0 EHADRM CC(C)N(C(=O)/C=C\c1ccc(C(=O)[O-])o1)[C@H](C)c1ccccc1 ZINC001591539086 992719370 /nfs/dbraw/zinc/71/93/70/992719370.db2.gz UQSPCLOJUBXOFJ-GAJOTYCWSA-N -1 0 327.380 3.989 20 0 EHADRM CC(C)N(C(=O)COc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC001591543724 992729123 /nfs/dbraw/zinc/72/91/23/992729123.db2.gz QXZZAGCNZGHLSZ-UHFFFAOYSA-N -1 0 347.798 3.859 20 0 EHADRM CC(C)N(C(=O)c1[nH]c2ccccc2c1CC(=O)[O-])C1CC(C)(C)C1 ZINC001591543976 992730771 /nfs/dbraw/zinc/73/07/71/992730771.db2.gz YWRCXGGAZLGGBQ-UHFFFAOYSA-N -1 0 342.439 3.834 20 0 EHADRM CN(Cc1cc(C(=O)[O-])c2n1CCCC2)Cc1ccccc1Cl ZINC001598529661 992763921 /nfs/dbraw/zinc/76/39/21/992763921.db2.gz RSUWXUIQDKIGTE-UHFFFAOYSA-N -1 0 332.831 3.808 20 0 EHADRM CN(Cc1ccccn1)C(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001598530717 992776575 /nfs/dbraw/zinc/77/65/75/992776575.db2.gz CVCKFEPMGUDPPA-UHFFFAOYSA-N -1 0 341.392 3.658 20 0 EHADRM CN(Cc1ccoc1)C(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001598532279 992796505 /nfs/dbraw/zinc/79/65/05/992796505.db2.gz BOEKKOSTFARLFO-UHFFFAOYSA-N -1 0 330.365 3.856 20 0 EHADRM CC(C)N(Cc1cccc(F)c1)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001591600650 992832728 /nfs/dbraw/zinc/83/27/28/992832728.db2.gz RWADWKNCYCBGSS-CLFYSBASSA-N -1 0 331.343 3.567 20 0 EHADRM CN(Cc1nc(C(=O)[O-])cs1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001598536363 992844176 /nfs/dbraw/zinc/84/41/76/992844176.db2.gz FZGIYPKKVRHSER-HUUCEWRRSA-N -1 0 346.452 3.519 20 0 EHADRM CN(c1ccc(Nc2cnc(C(=O)[O-])cn2)cc1F)C1CCCCC1 ZINC001598543872 992924614 /nfs/dbraw/zinc/92/46/14/992924614.db2.gz PKCPDWCEOPBTRN-UHFFFAOYSA-N -1 0 344.390 3.826 20 0 EHADRM CN(c1nc2ccccc2c(-c2ccccc2)n1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598546631 992952893 /nfs/dbraw/zinc/95/28/93/992952893.db2.gz LOLISAVRZCCWLY-GASCZTMLSA-N -1 0 333.391 3.596 20 0 EHADRM CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)Cc1ccccc1 ZINC000275022297 1015770627 /nfs/dbraw/zinc/77/06/27/1015770627.db2.gz SANALRARQQBVAZ-UHFFFAOYSA-N -1 0 347.436 3.521 20 0 EHADRM C[C@@H](NC(=O)NCC1(C(=O)[O-])CCCC1)c1csc2ccccc21 ZINC001593080669 993652973 /nfs/dbraw/zinc/65/29/73/993652973.db2.gz ABZOFSZSLAEKJY-GFCCVEGCSA-N -1 0 346.452 3.907 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)n[nH]1 ZINC000134793120 1015795756 /nfs/dbraw/zinc/79/57/56/1015795756.db2.gz OPINSJQSJXYECB-UHFFFAOYSA-N -1 0 348.255 3.815 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc2ncsc2c1 ZINC001593112564 993787765 /nfs/dbraw/zinc/78/77/65/993787765.db2.gz NHACDXDIFPDRNA-JTQLQIEISA-N -1 0 341.392 3.877 20 0 EHADRM COc1ccc(OC)c([C@H](C)NCc2cccc(C(=O)[O-])c2Cl)c1 ZINC001599602341 993833624 /nfs/dbraw/zinc/83/36/24/993833624.db2.gz MBKHVDXZRQDYKY-NSHDSACASA-N -1 0 349.814 3.906 20 0 EHADRM C[C@@](NC(=O)c1ccc(C2=CCCC2)cc1)(C(=O)[O-])c1ccccc1 ZINC001593159504 993984850 /nfs/dbraw/zinc/98/48/50/993984850.db2.gz GLQQUEZCCGPXAR-NRFANRHFSA-N -1 0 335.403 3.984 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])cc1F)c1nc2ccccc2s1 ZINC001593159879 993988998 /nfs/dbraw/zinc/98/89/98/993988998.db2.gz QQIWVKUEDSBGRA-VIFPVBQESA-N -1 0 344.367 3.625 20 0 EHADRM C[C@@H](NC(=O)c1ccc(/C=C\C(=O)[O-])o1)c1ccc(Cl)c(F)c1 ZINC001593163595 994002374 /nfs/dbraw/zinc/00/23/74/994002374.db2.gz SIZOASLANWCLIY-WQAKUFEDSA-N -1 0 337.734 3.661 20 0 EHADRM C[C@@H](NC(=O)c1ccc(F)c2ccccc12)c1ncc(C(=O)[O-])s1 ZINC001593164063 994004115 /nfs/dbraw/zinc/00/41/15/994004115.db2.gz XEWMSDMZKAYQLZ-SECBINFHSA-N -1 0 344.367 3.625 20 0 EHADRM C[C@H](NC(=O)c1ccccc1C(=O)[O-])c1ncc(-c2ccccc2)o1 ZINC001593178926 994059011 /nfs/dbraw/zinc/05/90/11/994059011.db2.gz JJETVTPHRJCEOY-LBPRGKRZSA-N -1 0 336.347 3.531 20 0 EHADRM COc1ccc2c(CC(=O)OC3CCC(CC(=O)[O-])CC3)coc2c1 ZINC001599625975 994148514 /nfs/dbraw/zinc/14/85/14/994148514.db2.gz NGQLYMSYBIFAGN-UHFFFAOYSA-N -1 0 346.379 3.561 20 0 EHADRM COc1ccc2c(c1)CCC[C@@H]2CC(=O)Nc1sccc1C(=O)[O-] ZINC001599628416 994182307 /nfs/dbraw/zinc/18/23/07/994182307.db2.gz LFDCPQQUAIEHGL-GFCCVEGCSA-N -1 0 345.420 3.904 20 0 EHADRM C[C@H](N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ncc(-c2ccccc2)o1 ZINC001593202996 994183568 /nfs/dbraw/zinc/18/35/68/994183568.db2.gz BRODPGIXNRJGMR-QWRGUYRKSA-N -1 0 343.408 3.908 20 0 EHADRM C[C@H](N[C@@H](C)c1ncc(C(=O)[O-])s1)c1cc(-c2ccccc2)no1 ZINC001593204307 994200820 /nfs/dbraw/zinc/20/08/20/994200820.db2.gz PMBNNGFZUDQLHL-QWRGUYRKSA-N -1 0 343.408 3.908 20 0 EHADRM COc1ccc2c(c1)N(Cc1ccc(/C=C\C(=O)[O-])o1)CCCC2 ZINC001599630030 994203673 /nfs/dbraw/zinc/20/36/73/994203673.db2.gz PREVMGNEXHEPOF-KTKRTIGZSA-N -1 0 327.380 3.729 20 0 EHADRM COc1ccc2cc(NC(=O)c3cc(C)c(C(=O)[O-])o3)ccc2c1 ZINC001599634245 994262990 /nfs/dbraw/zinc/26/29/90/994262990.db2.gz DIWWTBLTQJXZSK-UHFFFAOYSA-N -1 0 325.320 3.700 20 0 EHADRM COc1ccc2cc(CNC(=O)c3ccsc3C(=O)[O-])ccc2c1 ZINC001599634353 994265003 /nfs/dbraw/zinc/26/50/03/994265003.db2.gz KUXAJUHNXCIRPS-UHFFFAOYSA-N -1 0 341.388 3.538 20 0 EHADRM COc1ccc2ccccc2c1CN[C@H](C(=O)[O-])c1ccsc1 ZINC001599635140 994275833 /nfs/dbraw/zinc/27/58/33/994275833.db2.gz IJPMAPIPFFKCFF-KRWDZBQOSA-N -1 0 327.405 3.825 20 0 EHADRM C[C@H](N[C@@H]1CCCc2c(Cl)ccnc21)c1ncc(C(=O)[O-])s1 ZINC001593218745 994291351 /nfs/dbraw/zinc/29/13/51/994291351.db2.gz KEKXKLHSXWESSZ-GZMMTYOYSA-N -1 0 337.832 3.618 20 0 EHADRM COc1ccc2nc(C(=O)Nc3scc(C)c3C(=O)[O-])ccc2c1 ZINC001599636203 994291869 /nfs/dbraw/zinc/29/18/69/994291869.db2.gz ZPFSMWATSAJVMY-UHFFFAOYSA-N -1 0 342.376 3.564 20 0 EHADRM COc1ccc2ccc(OC(=O)C34CCC(C(=O)[O-])(CC3)C4)cc2c1 ZINC001599636318 994293594 /nfs/dbraw/zinc/29/35/94/994293594.db2.gz NOMPYUSIXWNCSB-UHFFFAOYSA-N -1 0 340.375 3.789 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)CCCc1sccc1C ZINC001599645035 994413695 /nfs/dbraw/zinc/41/36/95/994413695.db2.gz GTTZHKQFDOPGDI-UHFFFAOYSA-N -1 0 347.436 3.749 20 0 EHADRM COc1cccc(C(C)(C)CNC(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC001599648728 994462922 /nfs/dbraw/zinc/46/29/22/994462922.db2.gz CFZPQODQUPFQIN-UHFFFAOYSA-N -1 0 348.424 3.554 20 0 EHADRM Cc1ccc(CCC(=O)Nc2cc(C)cc(Br)c2O)o1 ZINC000182930027 1015863040 /nfs/dbraw/zinc/86/30/40/1015863040.db2.gz NNYKVNGLSGTMJB-UHFFFAOYSA-N -1 0 338.201 3.936 20 0 EHADRM COc1cccc([C@@H](C)C(=O)O[C@@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC001599654567 994557171 /nfs/dbraw/zinc/55/71/71/994557171.db2.gz RNWQCJHNJOQRAH-BDJLRTHQSA-N -1 0 348.782 3.821 20 0 EHADRM COc1cccc(C(F)F)c1C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC001599657744 994609229 /nfs/dbraw/zinc/60/92/29/994609229.db2.gz PLHXUGDSESLWFU-UHFFFAOYSA-N -1 0 347.317 3.534 20 0 EHADRM C[C@H](NCc1cc(C(=O)[O-])ccc1F)c1ccccc1OC(F)F ZINC001593287758 994650041 /nfs/dbraw/zinc/65/00/41/994650041.db2.gz AAQBSBSABMYDDL-JTQLQIEISA-N -1 0 339.313 3.976 20 0 EHADRM C[C@H](NCc1ccnc(-c2ccccc2)c1)c1ncc(C(=O)[O-])s1 ZINC001593304004 994740918 /nfs/dbraw/zinc/74/09/18/994740918.db2.gz JVQCISYWNCETHY-LBPRGKRZSA-N -1 0 339.420 3.754 20 0 EHADRM C[C@H](NCc1csc(-c2ccc(C(=O)[O-])cc2)n1)c1ccns1 ZINC001593311297 994779152 /nfs/dbraw/zinc/77/91/52/994779152.db2.gz FFFTXKLEBBOXRG-JTQLQIEISA-N -1 0 345.449 3.816 20 0 EHADRM C[C@H](NCc1nc(C(=O)[O-])cs1)c1ccc(-c2ccncc2)cc1 ZINC001593312611 994803579 /nfs/dbraw/zinc/80/35/79/994803579.db2.gz XWOLWFZYIHWHGQ-LBPRGKRZSA-N -1 0 339.420 3.754 20 0 EHADRM COc1cccc(NC(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC001599675811 994895644 /nfs/dbraw/zinc/89/56/44/994895644.db2.gz ABQGEPZBGBPYPI-GFCCVEGCSA-N -1 0 328.368 3.602 20 0 EHADRM COc1cccc(Cl)c1CN[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001599676492 994905737 /nfs/dbraw/zinc/90/57/37/994905737.db2.gz JDKKJSXPMPVQCV-OAHLLOKOSA-N -1 0 340.206 3.918 20 0 EHADRM Cc1cc(C)cc(CCC(=O)N(CCC(=O)[O-])Cc2ccccc2)c1 ZINC000683296464 1015937648 /nfs/dbraw/zinc/93/76/48/1015937648.db2.gz FHQIZCYQHCTJHX-UHFFFAOYSA-N -1 0 339.435 3.740 20 0 EHADRM C[C@H](OC(=O)[C@H]1C[C@H]1c1cccc(F)c1F)c1cc(C(=O)[O-])co1 ZINC001593499258 995490573 /nfs/dbraw/zinc/49/05/73/995490573.db2.gz JQFZBEZUPLXVBX-UWJYBYFXSA-N -1 0 336.290 3.664 20 0 EHADRM C[C@H](OC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ncc(C(C)(C)C)o1 ZINC001593512783 995518248 /nfs/dbraw/zinc/51/82/48/995518248.db2.gz BKTDAEXOUCQYIR-PCGIRMHASA-N -1 0 333.340 3.581 20 0 EHADRM C[C@H](OC(=O)[C@H]1SCCc2ccccc21)c1cc(C(=O)[O-])co1 ZINC001593515799 995541770 /nfs/dbraw/zinc/54/17/70/995541770.db2.gz PDNMMYBMBNBFFP-BONVTDFDSA-N -1 0 332.377 3.613 20 0 EHADRM C[C@H](OC(=O)CCCC(=O)c1ccccc1)c1cc(C(=O)[O-])co1 ZINC001593516590 995548084 /nfs/dbraw/zinc/54/80/84/995548084.db2.gz SKPMQCXRTSWTSI-LBPRGKRZSA-N -1 0 330.336 3.635 20 0 EHADRM C[C@@H](OC(=O)CCCc1ccc(Cl)cc1)c1nc(C(=O)[O-])co1 ZINC001593525599 995564104 /nfs/dbraw/zinc/56/41/04/995564104.db2.gz MOMDAKVCIMIUPQ-SNVBAGLBSA-N -1 0 337.759 3.653 20 0 EHADRM C[C@H](OC(=O)c1ccc(C(=O)[O-])cc1F)c1ncc(C(C)(C)C)o1 ZINC001593575041 995681124 /nfs/dbraw/zinc/68/11/24/995681124.db2.gz NWEGIJIWNNGBIB-VIFPVBQESA-N -1 0 335.331 3.727 20 0 EHADRM C[C@H](OC(=O)c1ccc2cc(O)ccc2c1)c1ccc(C(=O)[O-])o1 ZINC001593586432 995709701 /nfs/dbraw/zinc/70/97/01/995709701.db2.gz VTHJBJHGZUABJI-JTQLQIEISA-N -1 0 326.304 3.755 20 0 EHADRM C[C@H](OC(=O)c1cn(C)c2ccc(F)cc12)c1ccc(C(=O)[O-])o1 ZINC001593598202 995743532 /nfs/dbraw/zinc/74/35/32/995743532.db2.gz XHTFQTZFBMUDRZ-VIFPVBQESA-N -1 0 331.299 3.527 20 0 EHADRM COC(=O)[C@@H]1C[C@@H]2C[C@@H](Nc3ccc4sc(C(=O)[O-])cc4c3)[C@H]2C1 ZINC001598761011 995776275 /nfs/dbraw/zinc/77/62/75/995776275.db2.gz SBQQFYIKYAAWLV-QIRAZROLSA-N -1 0 345.420 3.599 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)O[C@H](C(=O)[O-])c1ccsc1 ZINC001593604467 995777380 /nfs/dbraw/zinc/77/73/80/995777380.db2.gz QQMNLDNOHDZPRV-FZMZJTMJSA-N -1 0 326.414 3.545 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001593604508 995777915 /nfs/dbraw/zinc/77/79/15/995777915.db2.gz SIWLEYRKMGATSY-JTQLQIEISA-N -1 0 341.354 3.729 20 0 EHADRM C[C@@H](OCc1ccccc1)C(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC001593610536 995801979 /nfs/dbraw/zinc/80/19/79/995801979.db2.gz BUZUEOGNXALUOU-LLVKDONJSA-N -1 0 334.755 3.549 20 0 EHADRM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C ZINC001593612167 995813077 /nfs/dbraw/zinc/81/30/77/995813077.db2.gz LVIGGSHODJVRFJ-BBRMVZONSA-N -1 0 349.471 3.757 20 0 EHADRM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N([C@H](C)C(=O)[O-])C1CCC1 ZINC001593612357 995815265 /nfs/dbraw/zinc/81/52/65/995815265.db2.gz QLOPKDZFHWBJSE-ZIAGYGMSSA-N -1 0 347.455 3.606 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)C2(C3CCC3)CCC2)cc1F)C(=O)[O-] ZINC001593624935 995889714 /nfs/dbraw/zinc/88/97/14/995889714.db2.gz VCKSPYQKZJTIER-NSHDSACASA-N -1 0 335.375 3.587 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCc1ccccc1)c1ccc(Cl)c(F)c1 ZINC000238210749 1015987197 /nfs/dbraw/zinc/98/71/97/1015987197.db2.gz LSJUIBSYTFYRKU-INIZCTEOSA-N -1 0 349.789 3.744 20 0 EHADRM C[C@H](Oc1ccc2c(c1)CCC2)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC001593635704 995933584 /nfs/dbraw/zinc/93/35/84/995933584.db2.gz XRFJAWMILUEZJX-RYUDHWBXSA-N -1 0 344.363 3.538 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)C(=O)NC2(CC(=O)[O-])CCCCC2)c1 ZINC001593636187 995936310 /nfs/dbraw/zinc/93/63/10/995936310.db2.gz KNOQAVJVPPDEAL-HNNXBMFYSA-N -1 0 347.455 3.871 20 0 EHADRM C[C@@H](Oc1ccccc1NC(=O)NC1(C(=O)[O-])CC1)c1ccccc1 ZINC001593651557 996012154 /nfs/dbraw/zinc/01/21/54/996012154.db2.gz OMXPENBAHGHYCY-CYBMUJFWSA-N -1 0 340.379 3.565 20 0 EHADRM C[C@H](SCCCC(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC001593656849 996028929 /nfs/dbraw/zinc/02/89/29/996028929.db2.gz SSYGRBBTEGTRJU-VIFPVBQESA-N -1 0 331.231 3.618 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC001593663819 996046386 /nfs/dbraw/zinc/04/63/86/996046386.db2.gz SREPFGCWOVVEKT-WMLDXEAASA-N -1 0 349.496 3.848 20 0 EHADRM C[C@@H](SCc1cncc(C(F)(F)F)c1)c1nc(C(=O)[O-])co1 ZINC001593663963 996047737 /nfs/dbraw/zinc/04/77/37/996047737.db2.gz VGWWVICRIMSZQR-SSDOTTSWSA-N -1 0 332.303 3.781 20 0 EHADRM C[C@@H](Sc1ccc(C(=O)[O-])cc1)C(=O)N1CCc2sccc2C1 ZINC001593664225 996050025 /nfs/dbraw/zinc/05/00/25/996050025.db2.gz IZEMSGQMONSEON-LLVKDONJSA-N -1 0 347.461 3.512 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)NC12CCC(CC1)CC2)C(=O)[O-] ZINC001593669536 996070368 /nfs/dbraw/zinc/07/03/68/996070368.db2.gz UAPXGMZEWHURGC-WHENESEISA-N -1 0 333.453 3.704 20 0 EHADRM O=C([O-])CN(C(=O)Nc1ccc2nc(C3CC3)sc2c1)C1CCC1 ZINC000584329186 1032134911 /nfs/dbraw/zinc/13/49/11/1032134911.db2.gz JIAZUGWXFVPFLK-UHFFFAOYSA-N -1 0 345.424 3.645 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1Cl)N(C)c1nccc(C(=O)[O-])n1 ZINC001593693168 996142937 /nfs/dbraw/zinc/14/29/37/996142937.db2.gz JYPNKRDRXFCTJX-QMMMGPOBSA-N -1 0 326.183 3.679 20 0 EHADRM C[C@H](c1ccc2c(c1)CCC2)S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001593698192 996162205 /nfs/dbraw/zinc/16/22/05/996162205.db2.gz BKBMAIIDPFSQPB-CYBMUJFWSA-N -1 0 344.432 3.550 20 0 EHADRM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001593699315 996169872 /nfs/dbraw/zinc/16/98/72/996169872.db2.gz UUMGOSDZNVWICC-FZMZJTMJSA-N -1 0 338.835 3.543 20 0 EHADRM C[C@H](c1ccccc1)N(C(=O)Nc1ccc(C(=O)[O-])cn1)C1CC1 ZINC001593706585 996197469 /nfs/dbraw/zinc/19/74/69/996197469.db2.gz RIPYFDUJRXJYJM-GFCCVEGCSA-N -1 0 325.368 3.537 20 0 EHADRM C[C@H](c1cccnc1)N(C)Cc1cc(C(=O)[O-])ccc1Br ZINC001593719887 996246358 /nfs/dbraw/zinc/24/63/58/996246358.db2.gz VEQCPOIKFXNNOJ-LLVKDONJSA-N -1 0 349.228 3.735 20 0 EHADRM C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001593723120 996254766 /nfs/dbraw/zinc/25/47/66/996254766.db2.gz JEZPBSQRFUCLGF-BMFZPTHFSA-N -1 0 343.448 3.949 20 0 EHADRM C[C@@H](c1ncc(C(=O)[O-])s1)N(Cc1ccc(F)cc1F)C1CC1 ZINC001593732142 996308876 /nfs/dbraw/zinc/30/88/76/996308876.db2.gz OTRJOJITHILHCG-VIFPVBQESA-N -1 0 338.379 3.845 20 0 EHADRM CC1(C(=O)[O-])CN(C(=O)c2ccccc2NCCC2=CCCCC2)C1 ZINC001593804788 996533207 /nfs/dbraw/zinc/53/32/07/996533207.db2.gz HZTOFSSNPRQSFR-UHFFFAOYSA-N -1 0 342.439 3.536 20 0 EHADRM CC1(C)C[C@]1(C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21)c1ccccc1 ZINC001593863811 996664548 /nfs/dbraw/zinc/66/45/48/996664548.db2.gz NQKFFYCPOVFAHD-OYHNWAKOSA-N -1 0 349.430 3.959 20 0 EHADRM CC1(C)C[C@@H](c2ccccc2)CN1C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001593864524 996666864 /nfs/dbraw/zinc/66/68/64/996666864.db2.gz WKABQSUMHVGDHY-ROJDOSBLSA-N -1 0 339.391 3.786 20 0 EHADRM CC1(C)C[C@@]1(C(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccccc1 ZINC001593866135 996672926 /nfs/dbraw/zinc/67/29/26/996672926.db2.gz YEQXATBQGZDTPY-IBGZPJMESA-N -1 0 327.355 3.830 20 0 EHADRM CC1(C)CC[C@H](C(=O)N[C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)C1 ZINC001593874688 996691915 /nfs/dbraw/zinc/69/19/15/996691915.db2.gz PDWMVPWIYUMIMW-QWHCGFSZSA-N -1 0 343.345 3.931 20 0 EHADRM CC1(C)CCC(SCC(=O)NC2(C(=O)[O-])CCCCC2)CC1 ZINC001593883134 996714481 /nfs/dbraw/zinc/71/44/81/996714481.db2.gz ADSQOXNLUCHBNL-UHFFFAOYSA-N -1 0 327.490 3.592 20 0 EHADRM CC1(C)CC[C@H]1NC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001593883538 996716466 /nfs/dbraw/zinc/71/64/66/996716466.db2.gz KBKBNUBJQWXOCG-MRXNPFEDSA-N -1 0 345.443 3.685 20 0 EHADRM CC1(C)CCC[C@](NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)(C(=O)[O-])C1 ZINC001593890982 996734803 /nfs/dbraw/zinc/73/48/03/996734803.db2.gz HOSBYYQXZKWGJO-MQIPJXDCSA-N -1 0 349.393 3.895 20 0 EHADRM CC1(C)CCC[C@@](NC(=O)c2cc(F)cc3ccoc32)(C(=O)[O-])C1 ZINC001593891277 996735480 /nfs/dbraw/zinc/73/54/80/996735480.db2.gz AHLROPMYSNUJCV-SFHVURJKSA-N -1 0 333.359 3.725 20 0 EHADRM CC1(C)CCC[C@H]1C(=O)N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001593896995 996756550 /nfs/dbraw/zinc/75/65/50/996756550.db2.gz HKUGDUKSCZWCPX-STQMWFEESA-N -1 0 343.345 3.774 20 0 EHADRM CC1(C)CCC[C@@H]1[C@H]1CCN(C(=O)c2cc(F)cc(C(=O)[O-])c2)C1 ZINC001593897227 996757458 /nfs/dbraw/zinc/75/74/58/996757458.db2.gz KQYHLFBEXJZLQT-BLLLJJGKSA-N -1 0 333.403 3.812 20 0 EHADRM CC1(C)CCN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)c2ccccc21 ZINC001593910715 996796929 /nfs/dbraw/zinc/79/69/29/996796929.db2.gz KGGWYZCIBFCDHK-UHFFFAOYSA-N -1 0 327.424 3.736 20 0 EHADRM CC1(C)CCCc2sc(NC(=O)c3ccc(C(=O)[O-])cc3F)nc21 ZINC001593910771 996798439 /nfs/dbraw/zinc/79/84/39/996798439.db2.gz NGESCBIQQJUVGQ-UHFFFAOYSA-N -1 0 348.399 3.847 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)CC[C@H](C)c1ccccc1 ZINC001599379207 996804793 /nfs/dbraw/zinc/80/47/93/996804793.db2.gz ZJRQRVGGKXSTHM-ZDUSSCGKSA-N -1 0 328.364 3.883 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC[C@@H]1CC[C@H](c2ccccc2)O1 ZINC001599379576 996810355 /nfs/dbraw/zinc/81/03/55/996810355.db2.gz LBMNEDFNJUJKQL-JKSUJKDBSA-N -1 0 328.364 3.693 20 0 EHADRM CC1(C)CCc2cc(CN[C@H](C(=O)[O-])c3cccs3)ccc2O1 ZINC001593915891 996814330 /nfs/dbraw/zinc/81/43/30/996814330.db2.gz IGOCCHOVAFMZIW-INIZCTEOSA-N -1 0 331.437 3.767 20 0 EHADRM CC1(C)CCc2nc(NC(=O)c3cccc(CC(=O)[O-])c3)sc2C1 ZINC001593916373 996817064 /nfs/dbraw/zinc/81/70/64/996817064.db2.gz OYXZNUJWSYRJAX-UHFFFAOYSA-N -1 0 344.436 3.537 20 0 EHADRM CC1(C)CCc2onc(C(=O)Nc3ccc(Cl)c(C(=O)[O-])c3)c2C1 ZINC001593924554 996851541 /nfs/dbraw/zinc/85/15/41/996851541.db2.gz NWFCWJJIIMIYHT-UHFFFAOYSA-N -1 0 348.786 3.793 20 0 EHADRM COc1ccc(C(=O)Nc2cc(-c3ccccc3)sc2C(=O)[O-])o1 ZINC001599486138 996853189 /nfs/dbraw/zinc/85/31/89/996853189.db2.gz UTEFIPAFUFRPMP-UHFFFAOYSA-N -1 0 343.360 3.967 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)Cc2c(C)cc(C)cc2C)c1F ZINC001599486994 996867870 /nfs/dbraw/zinc/86/78/70/996867870.db2.gz CVVQTHLAYDSLGT-UHFFFAOYSA-N -1 0 345.370 3.639 20 0 EHADRM CC1(C)CN(C(=O)NCCCCCCC(=O)[O-])c2cc(F)ccc21 ZINC001593928980 996883139 /nfs/dbraw/zinc/88/31/39/996883139.db2.gz FEPUCVJSKJLYDC-UHFFFAOYSA-N -1 0 336.407 3.668 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)C[C@@H](C)c2cccc(F)c2)c1F ZINC001599487860 996883886 /nfs/dbraw/zinc/88/38/86/996883886.db2.gz LVGXALHFIRVEGE-SNVBAGLBSA-N -1 0 349.333 3.804 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)c2ccccc21 ZINC001593934509 996900350 /nfs/dbraw/zinc/90/03/50/996900350.db2.gz MTXPYPKZLMNTHZ-UHFFFAOYSA-N -1 0 342.370 3.783 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccccc2C(=O)[O-])CC[C@H]1C(F)(F)F ZINC001593935050 996906519 /nfs/dbraw/zinc/90/65/19/996906519.db2.gz MDAZGJRLVHESMT-GFCCVEGCSA-N -1 0 344.333 3.827 20 0 EHADRM COC(=O)Nc1cccc(NCc2cc(C(=O)[O-])c(C(C)C)[nH]2)c1 ZINC001598888527 996946998 /nfs/dbraw/zinc/94/69/98/996946998.db2.gz UTBGHXCTHDZFJY-UHFFFAOYSA-N -1 0 331.372 3.627 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC[C@H](OC)c2ccc(Cl)cc2)c1 ZINC001599492813 996969356 /nfs/dbraw/zinc/96/93/56/996969356.db2.gz XQKVDDLCJAVJLI-INIZCTEOSA-N -1 0 336.771 3.813 20 0 EHADRM COC1(C(=O)O[C@@H]2CCCc3cc(C(=O)[O-])ccc32)CCCCC1 ZINC001599080150 996979173 /nfs/dbraw/zinc/97/91/73/996979173.db2.gz IGRYKPIDDMYHOH-MRXNPFEDSA-N -1 0 332.396 3.655 20 0 EHADRM COC[C@H](SCCOc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001599185447 997017373 /nfs/dbraw/zinc/01/73/73/997017373.db2.gz CSCJKYMBTLSUOD-KRWDZBQOSA-N -1 0 332.421 3.885 20 0 EHADRM COc1cc(C)c(C)cc1NC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001599390846 997032942 /nfs/dbraw/zinc/03/29/42/997032942.db2.gz RJEZWYCFHIWEQS-FOIQADDNSA-N -1 0 339.391 3.509 20 0 EHADRM COCc1cc(NCc2cccn2CCC(C)C)cc(C(=O)[O-])c1 ZINC001599289931 997047342 /nfs/dbraw/zinc/04/73/42/997047342.db2.gz RPAMEGHGWYERBS-UHFFFAOYSA-N -1 0 330.428 3.991 20 0 EHADRM COc1cc(C)c(NC(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1C ZINC001599392283 997058932 /nfs/dbraw/zinc/05/89/32/997058932.db2.gz CQSMSZYEECQZNH-UHFFFAOYSA-N -1 0 342.395 3.973 20 0 EHADRM COc1cc(C)cc(NC(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)c1C ZINC001599392634 997065983 /nfs/dbraw/zinc/06/59/83/997065983.db2.gz PUIVNRPQTXVLSD-UHFFFAOYSA-N -1 0 346.383 3.576 20 0 EHADRM COc1ccc(C(=O)[O-])cc1CN1CCCc2cc(F)cc(C)c21 ZINC001599499746 997094906 /nfs/dbraw/zinc/09/49/06/997094906.db2.gz GVELWXWECVTSPU-UHFFFAOYSA-N -1 0 329.371 3.794 20 0 EHADRM COc1cc(C)cc(NCc2ccc(O[C@H](C)C(=O)[O-])cc2)c1C ZINC001599394870 997106264 /nfs/dbraw/zinc/10/62/64/997106264.db2.gz YQNKJRNCSMZUOQ-CQSZACIVSA-N -1 0 329.396 3.776 20 0 EHADRM COCc1ccc(N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)cc1OC ZINC001599294663 997117912 /nfs/dbraw/zinc/11/79/12/997117912.db2.gz IWECKRRKXHYPIN-MRXNPFEDSA-N -1 0 335.787 3.733 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)[C@H]1CCCC2(CC2)C1 ZINC001599395877 997125712 /nfs/dbraw/zinc/12/57/12/997125712.db2.gz BZEUOANUYWUINT-VSKVDJIOSA-N -1 0 330.380 3.669 20 0 EHADRM COc1ccc(C(=O)[O-])cc1CN[C@H](c1ccc(C)o1)C(F)(F)F ZINC001599501307 997127087 /nfs/dbraw/zinc/12/70/87/997127087.db2.gz RUDFMLIAVSJECB-CQSZACIVSA-N -1 0 343.301 3.688 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001599396032 997127649 /nfs/dbraw/zinc/12/76/49/997127649.db2.gz GUHVFGABBFQPHR-GPPWAPFKSA-N -1 0 338.359 3.502 20 0 EHADRM COC1(CC(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])CCC1 ZINC001599087806 997131081 /nfs/dbraw/zinc/13/10/81/997131081.db2.gz YRHYCDKVGLXEQH-UHFFFAOYSA-N -1 0 325.430 3.642 20 0 EHADRM COCc1cccc(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])c1 ZINC001599295379 997131278 /nfs/dbraw/zinc/13/12/78/997131278.db2.gz BPHXTGKDJKUABJ-UHFFFAOYSA-N -1 0 327.380 3.907 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)[C@@H]1CCCC[C@H]1C1CC1 ZINC001599396390 997133784 /nfs/dbraw/zinc/13/37/84/997133784.db2.gz MTMPSDZUDREMKG-YWUZZIELSA-N -1 0 344.407 3.915 20 0 EHADRM COCc1cccc(NC(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c1 ZINC001599297769 997176610 /nfs/dbraw/zinc/17/66/10/997176610.db2.gz SPYYWRBPUNRTRV-GFCCVEGCSA-N -1 0 328.368 3.665 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)[C@H](C)c1ccccc1C ZINC001599399439 997187818 /nfs/dbraw/zinc/18/78/18/997187818.db2.gz NWQQDKZYXZYJNX-CFRMROPGSA-N -1 0 340.375 3.811 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OCc1cnc(Cl)c(F)c1 ZINC001599400241 997201628 /nfs/dbraw/zinc/20/16/28/997201628.db2.gz OMFNQLNRRPFQEK-HWKANZROSA-N -1 0 337.734 3.560 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001599401397 997220489 /nfs/dbraw/zinc/22/04/89/997220489.db2.gz WXIYFYSKXDIIJR-RZIFZGNASA-N -1 0 330.380 3.835 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)C[C@H]2CCCCC2(C)C)cc1 ZINC001599509691 997275477 /nfs/dbraw/zinc/27/54/77/997275477.db2.gz IGWWPOPWBITPSA-WBVHZDCISA-N -1 0 347.455 3.934 20 0 EHADRM C[C@]1(CC(=O)Nc2cc(F)cc(C(=O)[O-])c2F)CC1(Cl)Cl ZINC001593998514 997329339 /nfs/dbraw/zinc/32/93/39/997329339.db2.gz QVTRYDZFQVGDFD-LBPRGKRZSA-N -1 0 338.137 3.576 20 0 EHADRM COC[C@H]1CCCCN1C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001599203607 997363000 /nfs/dbraw/zinc/36/30/00/997363000.db2.gz TZVIMMBZFSVWDU-OAHLLOKOSA-N -1 0 342.395 3.571 20 0 EHADRM CON(C(=O)c1sc2cc(C)ccc2c1Cl)[C@H](C)CC(=O)[O-] ZINC001599312490 997440024 /nfs/dbraw/zinc/44/00/24/997440024.db2.gz FISDTFIVZOPTEK-SECBINFHSA-N -1 0 341.816 3.730 20 0 EHADRM CO[C@H]1CCC[C@H](C(=O)OCc2c3ccccc3sc2C(=O)[O-])C1 ZINC001599104558 997451446 /nfs/dbraw/zinc/45/14/46/997451446.db2.gz GWJHYBMFLBYVCS-RYUDHWBXSA-N -1 0 348.420 3.848 20 0 EHADRM COCCC(C)(C)CNC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001599209246 997468016 /nfs/dbraw/zinc/46/80/16/997468016.db2.gz OJZROXJUJHEGMT-UHFFFAOYSA-N -1 0 344.411 3.722 20 0 EHADRM CO[C@@H]1CCC[C@H]([C@H](NC(=O)C[C@H](C)CCC=C(C)C)C(=O)[O-])C1 ZINC001599105836 997474809 /nfs/dbraw/zinc/47/48/09/997474809.db2.gz IHDVGDPWJMIXHE-HPFXQQBRSA-N -1 0 339.476 3.534 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000655548856 1016132728 /nfs/dbraw/zinc/13/27/28/1016132728.db2.gz JFVMMLWKHZDBJF-GFCCVEGCSA-N -1 0 341.810 3.658 20 0 EHADRM CON(C[C@H]1CCC[C@@H](C)C1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001599317504 997526547 /nfs/dbraw/zinc/52/65/47/997526547.db2.gz NVKMRQBIIQSYRP-NEPJUHHUSA-N -1 0 338.379 3.746 20 0 EHADRM CO[C@@H]1CCC[C@@H](CC(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])C1 ZINC001599111192 997570895 /nfs/dbraw/zinc/57/08/95/997570895.db2.gz BNPRXUHBWNVNBH-VXGBXAGGSA-N -1 0 339.819 3.880 20 0 EHADRM COc1cc(Cl)c(Cl)cc1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001599420219 997581311 /nfs/dbraw/zinc/58/13/11/997581311.db2.gz ZLJOHPPQDPHLEQ-DTWKUNHWSA-N -1 0 346.210 3.832 20 0 EHADRM O=C(Cc1ccn(-c2ccccc2)n1)Nc1cc(F)cc(Cl)c1[O-] ZINC000547779151 1016142595 /nfs/dbraw/zinc/14/25/95/1016142595.db2.gz HWMULYUNCPLZGB-UHFFFAOYSA-N -1 0 345.761 3.552 20 0 EHADRM COCCCC[C@@H](NC(=O)c1cc(C(=O)[O-])oc1C)c1ccccc1 ZINC001599223990 997723356 /nfs/dbraw/zinc/72/33/56/997723356.db2.gz MKZVYIIOAHSZSS-MRXNPFEDSA-N -1 0 345.395 3.574 20 0 EHADRM C[C@@]1(NC(=O)Cc2cc3cc(Cl)ccc3[nH]2)CCCC[C@@H]1C(=O)[O-] ZINC001594052003 997750913 /nfs/dbraw/zinc/75/09/13/997750913.db2.gz CCAWWMUFGYNLQN-RDTXWAMCSA-N -1 0 348.830 3.514 20 0 EHADRM C[C@@]1(NC(=O)c2ccnc3cc(Cl)ccc32)CCCC[C@@H]1C(=O)[O-] ZINC001594055713 997790025 /nfs/dbraw/zinc/79/00/25/997790025.db2.gz IMVCTUXWFLBMFH-RDTXWAMCSA-N -1 0 346.814 3.652 20 0 EHADRM COc1cc(NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)c(C(=O)[O-])cc1OC ZINC001599433203 997796233 /nfs/dbraw/zinc/79/62/33/997796233.db2.gz JILYAKLDABYQMO-WBMJQRKESA-N -1 0 347.411 3.579 20 0 EHADRM O=C(Nc1cccc(N2CCCCC2=O)c1)c1ccc([O-])c(Cl)c1 ZINC000047537368 1016156275 /nfs/dbraw/zinc/15/62/75/1016156275.db2.gz GZMKAHLIMWIOEG-UHFFFAOYSA-N -1 0 344.798 3.815 20 0 EHADRM COC(=O)c1cc(CNc2ccc3sc(C(=O)[O-])cc3c2)[nH]c1C ZINC001598933336 997812234 /nfs/dbraw/zinc/81/22/34/997812234.db2.gz IBMDLYVOLTUVJG-UHFFFAOYSA-N -1 0 344.392 3.635 20 0 EHADRM COc1cc(NC(=O)N2CCC(CC(=O)[O-])CC2)cc2ccccc21 ZINC001599434561 997819665 /nfs/dbraw/zinc/81/96/65/997819665.db2.gz GTPZICWIJFGANB-UHFFFAOYSA-N -1 0 342.395 3.567 20 0 EHADRM COc1ccc(/C=C(\C)C(=O)Nc2scc(C(=O)[O-])c2C)cc1F ZINC001599541922 997858428 /nfs/dbraw/zinc/85/84/28/997858428.db2.gz SXLFJJYMNHVUNE-RMKNXTFCSA-N -1 0 349.383 3.944 20 0 EHADRM COc1cc(NC(=O)NC(C)(C)c2ccccc2C)ccc1C(=O)[O-] ZINC001599437896 997880166 /nfs/dbraw/zinc/88/01/66/997880166.db2.gz QYAIBLMAGCLCGB-UHFFFAOYSA-N -1 0 342.395 3.759 20 0 EHADRM COc1ccc(/C=C\C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)cc1 ZINC001599544887 997906402 /nfs/dbraw/zinc/90/64/02/997906402.db2.gz VHTREYFJTFFCOR-DAXSKMNVSA-N -1 0 349.745 3.838 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)c1ccc(C)c(C)c1 ZINC001599547378 997946863 /nfs/dbraw/zinc/94/68/63/997946863.db2.gz UOCVEUIVROEKRU-TWGQIWQCSA-N -1 0 326.348 3.629 20 0 EHADRM COc1cc(NC(=O)c2ccc(F)c(C(F)F)c2)ccc1C(=O)[O-] ZINC001599442330 997950070 /nfs/dbraw/zinc/95/00/70/997950070.db2.gz PIRUCHGGCHJRIQ-UHFFFAOYSA-N -1 0 339.269 3.722 20 0 EHADRM COc1cc(NCc2ccccc2O[C@H](C)C(=O)[O-])ccc1Cl ZINC001599443202 997964119 /nfs/dbraw/zinc/96/41/19/997964119.db2.gz CQFAMCROVYTNAK-LLVKDONJSA-N -1 0 335.787 3.813 20 0 EHADRM COc1c(OC(=O)/C=C\c2ccc(C(=O)[O-])o2)ccc2ccccc21 ZINC001599344363 997976180 /nfs/dbraw/zinc/97/61/80/997976180.db2.gz GHLNGXDBWKMALI-FLIBITNWSA-N -1 0 338.315 3.758 20 0 EHADRM COc1cc(OC(=O)/C=C(\C)c2ccc(F)cc2)ccc1C(=O)[O-] ZINC001599445615 998004211 /nfs/dbraw/zinc/00/42/11/998004211.db2.gz JWDHTAXQBGHXLF-PKNBQFBNSA-N -1 0 330.311 3.541 20 0 EHADRM COc1cc(OC(=O)[C@H](c2ccc(F)cc2)C(C)C)ccc1C(=O)[O-] ZINC001599445856 998009017 /nfs/dbraw/zinc/00/90/17/998009017.db2.gz IZSBDYUVIAGAHC-KRWDZBQOSA-N -1 0 346.354 3.878 20 0 EHADRM COc1cc(OC(=O)c2cccc(-c3ccoc3)c2)ccc1C(=O)[O-] ZINC001599447388 998031136 /nfs/dbraw/zinc/03/11/36/998031136.db2.gz KILUQXAYLPOLHL-UHFFFAOYSA-N -1 0 338.315 3.873 20 0 EHADRM CC1=C(C(=O)[O-])[C@H](c2cccc3ccccc32)NC(=O)N1CC1CC1 ZINC001594097432 998071483 /nfs/dbraw/zinc/07/14/83/998071483.db2.gz AVNIZCKYVHCGEN-SFHVURJKSA-N -1 0 336.391 3.675 20 0 EHADRM CO[C@@H]1Cc2ccc(N[C@H](C(=O)[O-])c3c(F)cccc3Cl)cc2C1 ZINC001599137757 998072657 /nfs/dbraw/zinc/07/26/57/998072657.db2.gz CDVSCFBEDRGCCW-DYVFJYSZSA-N -1 0 349.789 3.831 20 0 EHADRM COC(=O)c1cc(NCc2ccc(C(=O)[O-])c(C)c2)ccc1SC ZINC001598948293 998097314 /nfs/dbraw/zinc/09/73/14/998097314.db2.gz NJTYWSQYQGGPBN-UHFFFAOYSA-N -1 0 345.420 3.814 20 0 EHADRM COc1cc(OC)cc([C@H](Sc2nc3ccccc3o2)C(=O)[O-])c1 ZINC001599451562 998111163 /nfs/dbraw/zinc/11/11/63/998111163.db2.gz KYQQMKLMVVKCFE-HNNXBMFYSA-N -1 0 345.376 3.763 20 0 EHADRM COc1cc(OC)cc([C@@H](Nc2ccc(C3CC3)cc2)C(=O)[O-])c1 ZINC001599452976 998137429 /nfs/dbraw/zinc/13/74/29/998137429.db2.gz JDSULXHZISPRSV-GOSISDBHSA-N -1 0 327.380 3.819 20 0 EHADRM CC1=C(C(=O)[O-])C[C@@H](COc2ccc(OCC3CC3)c(Cl)c2)O1 ZINC001594106270 998167583 /nfs/dbraw/zinc/16/75/83/998167583.db2.gz LSKKMFKBGCDFLE-ZDUSSCGKSA-N -1 0 338.787 3.655 20 0 EHADRM COc1cc(Oc2cnc3cc(Cl)ccc3n2)ccc1C(=O)[O-] ZINC001599457243 998209193 /nfs/dbraw/zinc/20/91/93/998209193.db2.gz BTMLCXJKKNBXCA-UHFFFAOYSA-N -1 0 330.727 3.782 20 0 EHADRM CC1=C(C)C[C@H](C(=O)N[C@H](Cc2cc3ccccc3o2)C(=O)[O-])CC1 ZINC001594110585 998211589 /nfs/dbraw/zinc/21/15/89/998211589.db2.gz WJSJUOFFOIOKRF-NVXWUHKLSA-N -1 0 341.407 3.681 20 0 EHADRM Cc1cc(NC(=O)c2ccc(N3CCC(C)=N3)cc2)c(C(=O)[O-])s1 ZINC001594114086 998233502 /nfs/dbraw/zinc/23/35/02/998233502.db2.gz QGTHVWPIYUGPCI-UHFFFAOYSA-N -1 0 343.408 3.593 20 0 EHADRM COCCOCc1ccc(N[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC001599252195 998251579 /nfs/dbraw/zinc/25/15/79/998251579.db2.gz DUQMBYGMXVSIFI-QGZVFWFLSA-N -1 0 349.814 3.741 20 0 EHADRM COC(=O)c1cc2ccc(Oc3ncc(C(=O)[O-])cc3Cl)cc2o1 ZINC001598957500 998269937 /nfs/dbraw/zinc/26/99/37/998269937.db2.gz GLDWPXOOUDTNSY-UHFFFAOYSA-N -1 0 347.710 3.758 20 0 EHADRM COCCOc1ccc(-c2nc(-c3cc(C(=O)[O-])co3)cs2)cc1 ZINC001599257592 998330535 /nfs/dbraw/zinc/33/05/35/998330535.db2.gz MGRIEHLKHDXLRI-UHFFFAOYSA-N -1 0 345.376 3.794 20 0 EHADRM COc1ccc(CNC(=O)c2ccc(C)c(C)c2Cl)cc1C(=O)[O-] ZINC001599570379 998354634 /nfs/dbraw/zinc/35/46/34/998354634.db2.gz LFKDGKFGEGBCAD-UHFFFAOYSA-N -1 0 347.798 3.594 20 0 EHADRM COCCOc1ccc(NCc2ccc(C(=O)[O-])c(Cl)c2)c(C)c1 ZINC001599259513 998361675 /nfs/dbraw/zinc/36/16/75/998361675.db2.gz WDJKLFSBNHQXHX-UHFFFAOYSA-N -1 0 349.814 3.984 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC001594134323 998364188 /nfs/dbraw/zinc/36/41/88/998364188.db2.gz AOEBGWQEDKJQMG-QYXZOKGRSA-N -1 0 341.451 3.528 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC001599369820 998392519 /nfs/dbraw/zinc/39/25/19/998392519.db2.gz CMGYZZLCFGGLQY-LALPHHSUSA-N -1 0 332.400 3.578 20 0 EHADRM COC[C@H](C)CC(=O)Nc1ccc(Oc2ccccc2)cc1C(=O)[O-] ZINC001599157840 998403961 /nfs/dbraw/zinc/40/39/61/998403961.db2.gz AXZOSSLZXZDMMQ-CYBMUJFWSA-N -1 0 343.379 3.788 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)c1cccc(Cl)c1 ZINC001599371467 998416519 /nfs/dbraw/zinc/41/65/19/998416519.db2.gz QVRHJMCSVWLMSV-SNVBAGLBSA-N -1 0 333.771 3.789 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)NC(C)(C)C1CCCCC1 ZINC001599372375 998431585 /nfs/dbraw/zinc/43/15/85/998431585.db2.gz HAAWRVQSXHXNGG-UHFFFAOYSA-N -1 0 334.416 3.874 20 0 EHADRM COc1ccc(COc2cc(/C=C\C(=O)[O-])ccc2OC)cc1C ZINC001599575670 998438850 /nfs/dbraw/zinc/43/88/50/998438850.db2.gz IETVWLNKMKVPHK-TWGQIWQCSA-N -1 0 328.364 3.689 20 0 EHADRM COCCc1nc2cc(N[C@H](C)c3cc(C(=O)[O-])cs3)ccc2o1 ZINC001599265196 998455917 /nfs/dbraw/zinc/45/59/17/998455917.db2.gz JAEHWPGJXIPCHD-SNVBAGLBSA-N -1 0 346.408 3.950 20 0 EHADRM COc1ccc(Cl)c(COc2ccccc2[C@@H](OC)C(=O)[O-])c1 ZINC001599576907 998459612 /nfs/dbraw/zinc/45/96/12/998459612.db2.gz MYEIOSPNYUEJLN-MRXNPFEDSA-N -1 0 336.771 3.700 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)CSCc1ccc(C(C)(C)C)cc1 ZINC001594146637 998485645 /nfs/dbraw/zinc/48/56/45/998485645.db2.gz CLXGVDYDJGEGIP-CZUORRHYSA-N -1 0 349.496 3.539 20 0 EHADRM COc1ccc(Cl)cc1C(C)(C)NCc1ncc(C(=O)[O-])s1 ZINC001599579625 998505980 /nfs/dbraw/zinc/50/59/80/998505980.db2.gz QCXYDNINDGOQOI-UHFFFAOYSA-N -1 0 340.832 3.528 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)C1(c2ccccc2)CCCC1 ZINC001599378385 998526661 /nfs/dbraw/zinc/52/66/61/998526661.db2.gz VINZAOGHFXOZMS-UHFFFAOYSA-N -1 0 340.375 3.811 20 0 EHADRM COC(=O)c1ccc(CSCc2ccccc2C(=O)[O-])c(F)c1 ZINC001598976251 998603186 /nfs/dbraw/zinc/60/31/86/998603186.db2.gz SUXRUSQBUHUHEW-UHFFFAOYSA-N -1 0 334.368 3.744 20 0 EHADRM COC(=O)c1ccc(Cl)cc1SCc1ccoc1C(=O)[O-] ZINC001598976770 998608083 /nfs/dbraw/zinc/60/80/83/998608083.db2.gz LGTGNRBKDTXBCV-UHFFFAOYSA-N -1 0 326.757 3.710 20 0 EHADRM C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccccc1C(=O)[O-] ZINC001594172684 998663201 /nfs/dbraw/zinc/66/32/01/998663201.db2.gz GEZSSVTYIIYIQP-KOLCDFICSA-N -1 0 330.306 3.580 20 0 EHADRM O=C(c1cc(Cl)cc(Br)c1[O-])N1C[C@@H]2CCC[C@H]2C1 ZINC000155165256 1016238769 /nfs/dbraw/zinc/23/87/69/1016238769.db2.gz UKVSDXHYTFLQGH-IUCAKERBSA-N -1 0 344.636 3.680 20 0 EHADRM COC(=O)c1ccc(OCc2cc(C(=O)[O-])ccc2F)c(Cl)c1 ZINC001598985601 998693679 /nfs/dbraw/zinc/69/36/79/998693679.db2.gz DOLGGSYUCGODDI-UHFFFAOYSA-N -1 0 338.718 3.543 20 0 EHADRM C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1Nc1ccccc1OC[C@H]1CCCCO1 ZINC001594184089 998713256 /nfs/dbraw/zinc/71/32/56/998713256.db2.gz FBRILRILOQNIJB-TWMKSMIVSA-N -1 0 347.455 3.936 20 0 EHADRM COC(=O)c1cccc([C@@H](SC[C@H]2CC2(Cl)Cl)C(=O)[O-])c1 ZINC001598993637 998759423 /nfs/dbraw/zinc/75/94/23/998759423.db2.gz CEGITAFCZBGNDF-GHMZBOCLSA-N -1 0 349.235 3.526 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1C(=O)CCc1ccc(C(F)F)cc1 ZINC001594206008 998792186 /nfs/dbraw/zinc/79/21/86/998792186.db2.gz NYIOUTRICNDVTG-JJLQDPRZSA-N -1 0 339.382 3.657 20 0 EHADRM C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001594214795 998827732 /nfs/dbraw/zinc/82/77/32/998827732.db2.gz NOJVQAOKGDJACU-WPRPVWTQSA-N -1 0 348.296 3.719 20 0 EHADRM C[C@@H]1C[C@H](CC(=O)N[C@@](C)(CC(=O)[O-])c2ccccn2)CC(C)(C)C1 ZINC001594232692 998887321 /nfs/dbraw/zinc/88/73/21/998887321.db2.gz PLTNEMDCDZUOPO-SXGZJXTBSA-N -1 0 346.471 3.740 20 0 EHADRM C[C@@H]1CC(CCNc2ncc(C(=O)[O-])cc2C(F)(F)F)C[C@@H](C)O1 ZINC001594235665 998896323 /nfs/dbraw/zinc/89/63/23/998896323.db2.gz JCGRRTPRHMRZDS-NXEZZACHSA-N -1 0 346.349 3.804 20 0 EHADRM C[C@@H]1C[C@H](CNC(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)[C@H](C)O1 ZINC001594239658 998915781 /nfs/dbraw/zinc/91/57/81/998915781.db2.gz YBTBUGMOODVUAU-JFGNBEQYSA-N -1 0 348.424 3.535 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C1 ZINC001594259427 998998727 /nfs/dbraw/zinc/99/87/27/998998727.db2.gz FQOISQRVRHZSHV-HZZCBIDNSA-N -1 0 343.467 3.966 20 0 EHADRM CO[C@@H](C(=O)[O-])c1ccccc1OCCOc1c(C)cccc1C ZINC001599025729 999015076 /nfs/dbraw/zinc/01/50/76/999015076.db2.gz FFHSEROYNDEVDV-GOSISDBHSA-N -1 0 330.380 3.533 20 0 EHADRM C[C@@H]1C[C@H](Nc2ccc(Cl)cc2SCCC(=O)[O-])CCO1 ZINC001594266440 999033154 /nfs/dbraw/zinc/03/31/54/999033154.db2.gz PQJCNPSYCCQKKY-ZYHUDNBSSA-N -1 0 329.849 3.886 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)N(C(=O)Nc2ccc(CC(=O)[O-])cc2)C1 ZINC001594269673 999042215 /nfs/dbraw/zinc/04/22/15/999042215.db2.gz MDMFGPQQEPUBNE-KSSFIOAISA-N -1 0 338.407 3.929 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001594270245 999044410 /nfs/dbraw/zinc/04/44/10/999044410.db2.gz RMVRZQBXISYETF-TWSMVNEUSA-N -1 0 349.430 3.650 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2ccc(C(=O)[O-])nc2)C1 ZINC001594270605 999045832 /nfs/dbraw/zinc/04/58/32/999045832.db2.gz XETGSCVJBKDQQR-BZNIZROVSA-N -1 0 343.358 3.534 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)c1 ZINC001599041318 999119660 /nfs/dbraw/zinc/11/96/60/999119660.db2.gz SNJKRPRJGRXWCN-ZBQZNYHESA-N -1 0 346.427 3.503 20 0 EHADRM C[C@@H]1CC/C(=C\C(=O)N[C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)C1 ZINC001594291488 999123919 /nfs/dbraw/zinc/12/39/19/999123919.db2.gz WCIZRCJTLCPNTE-VDFWFRMASA-N -1 0 341.329 3.851 20 0 EHADRM CO[C@H](C)c1nsc(N[C@H](CCC(=O)[O-])CC2CCCCC2)n1 ZINC001599042046 999124599 /nfs/dbraw/zinc/12/45/99/999124599.db2.gz IDNHDNKPWPLAPH-DGCLKSJQSA-N -1 0 341.477 3.861 20 0 EHADRM C[C@@H](NC(=O)C=C1CCC(C)CC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001594291766 999124813 /nfs/dbraw/zinc/12/48/13/999124813.db2.gz YGWNETZWCZPXKV-MLMRRJNNSA-N -1 0 329.440 3.571 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001594291924 999125794 /nfs/dbraw/zinc/12/57/94/999125794.db2.gz IDMWBFKKRBKQQQ-RULNRJAQSA-N -1 0 338.354 3.848 20 0 EHADRM C[C@@H](NC(=O)C1(C)CCC(C)CC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001594296424 999142388 /nfs/dbraw/zinc/14/23/88/999142388.db2.gz SCJIEDPZTALOGG-KLRDNXEFSA-N -1 0 331.456 3.651 20 0 EHADRM C[C@@H](Oc1ccc(NC(=O)C2(C)CCC(C)CC2)cc1F)C(=O)[O-] ZINC001594296850 999144005 /nfs/dbraw/zinc/14/40/05/999144005.db2.gz XOYPLWQHGZMHKC-BJCXPLBRSA-N -1 0 337.391 3.833 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cc(C(=O)[O-])cs1 ZINC001594298034 999150286 /nfs/dbraw/zinc/15/02/86/999150286.db2.gz FEBWVZXRDDSPLE-KWCYVHTRSA-N -1 0 339.457 3.862 20 0 EHADRM C[C@H]1CCC(F)(F)CN1C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001594307077 999185735 /nfs/dbraw/zinc/18/57/35/999185735.db2.gz QGVLUHCXQZBEQM-VIFPVBQESA-N -1 0 337.326 3.518 20 0 EHADRM C[C@H]1CC[C@H](C(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)CC1 ZINC001594312713 999201275 /nfs/dbraw/zinc/20/12/75/999201275.db2.gz DXPDETUKCNKZOP-RDNQGFKOSA-N -1 0 329.440 3.806 20 0 EHADRM C[C@@H](C(=O)N[C@@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21)c1ccccc1 ZINC001594314430 999216907 /nfs/dbraw/zinc/21/69/07/999216907.db2.gz PPSCZFRJIIIATF-PZPWOCDFSA-N -1 0 337.419 3.784 20 0 EHADRM CO[C@H](CSc1nc(C(=O)[O-])cs1)c1ccc(Cl)cc1 ZINC001599060940 999264751 /nfs/dbraw/zinc/26/47/51/999264751.db2.gz YHDGHIZKCDXEEC-LLVKDONJSA-N -1 0 329.830 3.975 20 0 EHADRM C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C1 ZINC001594330208 999269205 /nfs/dbraw/zinc/26/92/05/999269205.db2.gz LOTURAUJYJQAEU-XYVMCAHJSA-N -1 0 344.455 3.813 20 0 EHADRM C[C@H]1CCC[C@H](NC(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC001594352812 999336346 /nfs/dbraw/zinc/33/63/46/999336346.db2.gz QUPOCLKVIUBGSX-ZFWWWQNUSA-N -1 0 345.443 3.685 20 0 EHADRM C[C@H]1CCC[C@@H](OCCCCCC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C1 ZINC001594354215 999338191 /nfs/dbraw/zinc/33/81/91/999338191.db2.gz AODPSOWMBNMGPX-HZMVEIRTSA-N -1 0 339.476 3.512 20 0 EHADRM C[C@@H]1CCC[C@H](OCC(=O)O[C@@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001594354286 999338425 /nfs/dbraw/zinc/33/84/25/999338425.db2.gz BWKJTTMPWYDGIO-BFQNTYOBSA-N -1 0 340.803 3.604 20 0 EHADRM C[C@H](NC(=O)Cn1cc(C(=O)[O-])c2ccccc21)[C@@H]1CCC[C@H](C)C1 ZINC001594354747 999339654 /nfs/dbraw/zinc/33/96/54/999339654.db2.gz FVPUOGIUJPMABG-SOUVJXGZSA-N -1 0 342.439 3.671 20 0 EHADRM C[C@H]1CCCC[C@H]1CC(=O)Nc1cc2c(cc1C(=O)[O-])OCCCO2 ZINC001594363977 999374760 /nfs/dbraw/zinc/37/47/60/999374760.db2.gz PRORXPPVYWHJNV-STQMWFEESA-N -1 0 347.411 3.701 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CCNC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001594364243 999376349 /nfs/dbraw/zinc/37/63/49/999376349.db2.gz XBLVVWCVEMBUEU-RNKNFESXSA-N -1 0 329.440 3.578 20 0 EHADRM C[C@@H]1CCCCN(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC001594370922 999398440 /nfs/dbraw/zinc/39/84/40/999398440.db2.gz WNSCWIJIYPPZDB-SNVBAGLBSA-N -1 0 342.342 3.640 20 0 EHADRM C[C@H]1CCCC[C@@H]1NC(=S)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001594371598 999401816 /nfs/dbraw/zinc/40/18/16/999401816.db2.gz WZPHCBWBVHLADZ-UFBFGSQYSA-N -1 0 328.384 3.528 20 0 EHADRM C[C@@H]1CCCN(C(=O)/C=C\c2cc(C(=O)[O-])co2)c2ccccc21 ZINC001594377642 999423183 /nfs/dbraw/zinc/42/31/83/999423183.db2.gz AXRXZYIQHHUWGK-LJTDUEICSA-N -1 0 325.364 3.922 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])nc2)[C@H]1c1cccc(F)c1 ZINC001594403956 999513063 /nfs/dbraw/zinc/51/30/63/999513063.db2.gz WSMQRXHABNQMKA-BDJLRTHQSA-N -1 0 343.358 3.534 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC001594409369 999529516 /nfs/dbraw/zinc/52/95/16/999529516.db2.gz FUBAPUYAAZOQEM-YVEFUNNKSA-N -1 0 327.355 3.747 20 0 EHADRM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001594445424 999636965 /nfs/dbraw/zinc/63/69/65/999636965.db2.gz JGLFSCOBFUOTCB-BDJLRTHQSA-N -1 0 344.436 3.569 20 0 EHADRM C[C@@H](NC(=O)c1cc2ccc(F)cc2s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655574551 1016371859 /nfs/dbraw/zinc/37/18/59/1016371859.db2.gz UUPGSRLPKVCMSA-JIMOISOXSA-N -1 0 349.427 3.906 20 0 EHADRM C[C@@H](NC(=O)CCC(C)(C)c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655576068 1016386206 /nfs/dbraw/zinc/38/62/06/1016386206.db2.gz OQDMAMFKGHTQMT-HYVNUMGLSA-N -1 0 345.483 3.996 20 0 EHADRM CCCOc1ccc(CN=c2[n-]c(-c3ccccc3)no2)cc1OC ZINC000588160856 1016402618 /nfs/dbraw/zinc/40/26/18/1016402618.db2.gz LXLMVFRFWNXASO-UHFFFAOYSA-N -1 0 339.395 3.568 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655579275 1016432585 /nfs/dbraw/zinc/43/25/85/1016432585.db2.gz LZBRLQJIOOUQSI-NXNVCVFFSA-N -1 0 331.456 3.740 20 0 EHADRM Cc1ccc(CCCC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655581701 1016490945 /nfs/dbraw/zinc/49/09/45/1016490945.db2.gz BVYDHBBASXFULN-HYVNUMGLSA-N -1 0 331.456 3.569 20 0 EHADRM CN(Cc1ccccc1Cl)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000013191845 1016515463 /nfs/dbraw/zinc/51/54/63/1016515463.db2.gz KRMZJWDKAFJWCW-VQHVLOKHSA-N -1 0 346.770 3.982 20 0 EHADRM CCN(C(=O)Nc1c(C)ccc(Br)c1C(=O)[O-])C(C)C ZINC000275368106 1016582530 /nfs/dbraw/zinc/58/25/30/1016582530.db2.gz YIABVBUKDFAAPY-UHFFFAOYSA-N -1 0 343.221 3.718 20 0 EHADRM CCc1nnc(-c2ccc(NC(=O)c3cc(F)c([O-])c(F)c3)cc2)o1 ZINC000180100920 1016890230 /nfs/dbraw/zinc/89/02/30/1016890230.db2.gz HPSBSDOZFPUOPZ-UHFFFAOYSA-N -1 0 345.305 3.535 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655584473 1016930417 /nfs/dbraw/zinc/93/04/17/1016930417.db2.gz KGCADIKEWQZNHG-LEUOFYLZSA-N -1 0 345.483 3.753 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N2CCc3ccccc3[C@H]2C)s1 ZINC000547826674 1016932489 /nfs/dbraw/zinc/93/24/89/1016932489.db2.gz DLQFPZSSMDUSBN-CYBMUJFWSA-N -1 0 344.484 3.844 20 0 EHADRM C[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655584884 1016993543 /nfs/dbraw/zinc/99/35/43/1016993543.db2.gz OOSHSICDDKFVKA-OXHMUOHRSA-N -1 0 344.238 3.859 20 0 EHADRM C[C@H](NC(=O)C1(c2ccccc2)CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655586248 1017013854 /nfs/dbraw/zinc/01/38/54/1017013854.db2.gz OLANZWXSDSHIOT-BHYGNILZSA-N -1 0 343.467 3.750 20 0 EHADRM CCC[C@@H](C)N(C)C(=O)N=c1[n-]nc(-c2cc(F)ccc2C)s1 ZINC000471317788 1017037625 /nfs/dbraw/zinc/03/76/25/1017037625.db2.gz QNQYZZIOYGGKOD-LLVKDONJSA-N -1 0 336.436 3.727 20 0 EHADRM Cc1cc(O)ccc1-c1nc(=O)c2snc(-c3ccccc3)c2[n-]1 ZINC000683433470 1017042084 /nfs/dbraw/zinc/04/20/84/1017042084.db2.gz LAEAIMUPRDKIEM-UHFFFAOYSA-N -1 0 335.388 3.728 20 0 EHADRM COCc1ccc(S(=O)(=O)[N-]c2ccccc2OCC(C)C)cc1 ZINC000538137316 1032158314 /nfs/dbraw/zinc/15/83/14/1032158314.db2.gz GCNBDNRRCZRJIL-UHFFFAOYSA-N -1 0 349.452 3.669 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)[C@@H]1CCSc2ccccc21)C(=O)[O-] ZINC000449147818 1032251442 /nfs/dbraw/zinc/25/14/42/1032251442.db2.gz RPVUEQQHQZYKJW-KGLIPLIRSA-N -1 0 335.469 3.662 20 0 EHADRM CCCCOc1ccc(Nc2ccc(S(=O)(=O)[O-])cc2)cc1F ZINC001211615272 1032267520 /nfs/dbraw/zinc/26/75/20/1032267520.db2.gz GLBBNCVIJWWZKU-UHFFFAOYSA-N -1 0 339.388 3.995 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)ccn1)c1ccc(C(F)(F)F)s1 ZINC000461115629 1032276360 /nfs/dbraw/zinc/27/63/60/1032276360.db2.gz GYWZKSYBXPJZHS-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM COC(=O)c1sc2ncccc2c1Nc1ccc(C(=O)[O-])cc1C ZINC001211616549 1032282333 /nfs/dbraw/zinc/28/23/33/1032282333.db2.gz NTUDLOYTTAXSTR-UHFFFAOYSA-N -1 0 342.376 3.833 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)CCCO2)c1cc(F)ccc1Cl ZINC000485077618 1032295718 /nfs/dbraw/zinc/29/57/18/1032295718.db2.gz KNHCFPLWMRBOHY-UHFFFAOYSA-N -1 0 341.791 3.605 20 0 EHADRM Cc1sc(C2(C(=O)[O-])CCOCC2)nc1-c1cc(C)ccc1C ZINC000905002139 1032316016 /nfs/dbraw/zinc/31/60/16/1032316016.db2.gz MIFQSOPVKUGAFH-UHFFFAOYSA-N -1 0 331.437 3.868 20 0 EHADRM COCCc1nc(=NCc2ccc(-c3ccccc3)cc2F)s[n-]1 ZINC000461210492 1032319954 /nfs/dbraw/zinc/31/99/54/1032319954.db2.gz DTFRHGJYLGZQQA-UHFFFAOYSA-N -1 0 343.427 3.567 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)c1ccc(C2CCOCC2)cc1 ZINC000905043772 1032323545 /nfs/dbraw/zinc/32/35/45/1032323545.db2.gz JYGLTEKXEKHCSL-UHFFFAOYSA-N -1 0 343.354 3.670 20 0 EHADRM Fc1ccc(Cc2nc(=NCc3ccccc3F)s[n-]2)c(F)c1 ZINC000461223990 1032329161 /nfs/dbraw/zinc/32/91/61/1032329161.db2.gz DVPBNRWYAMUWPE-UHFFFAOYSA-N -1 0 335.354 3.580 20 0 EHADRM COCC(C)(C)Cc1nc(=O)c2snc(-c3ccc(F)cc3)c2[n-]1 ZINC000905031920 1032330579 /nfs/dbraw/zinc/33/05/79/1032330579.db2.gz QRTSNBXOZHSJSM-UHFFFAOYSA-N -1 0 347.415 3.813 20 0 EHADRM CC(C)c1nocc1C(=O)Nc1nnc(Cc2cccc(F)c2)s1 ZINC000528465079 1032332074 /nfs/dbraw/zinc/33/20/74/1032332074.db2.gz MCFOPLABTCJLSM-UHFFFAOYSA-N -1 0 346.387 3.632 20 0 EHADRM O=C([O-])c1cc(/C=C/c2ccc(Cl)c(Br)c2)ncn1 ZINC000538415378 1032342785 /nfs/dbraw/zinc/34/27/85/1032342785.db2.gz ONKLQJYMIWTDEA-HNQUOIGGSA-N -1 0 339.576 3.761 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)c2cc3c(cc2O)OCO3)c(C)c1 ZINC000436756762 1032394189 /nfs/dbraw/zinc/39/41/89/1032394189.db2.gz PWHYQEHFFORMCS-ZDUSSCGKSA-N -1 0 327.380 3.571 20 0 EHADRM CCCS(=O)(=O)[N-]c1ncc(Cc2ccc(Cl)cc2C)s1 ZINC000538498230 1032400413 /nfs/dbraw/zinc/40/04/13/1032400413.db2.gz OKHYPUNGRQYDRQ-UHFFFAOYSA-N -1 0 344.889 3.847 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cn(C)nc2-c2ccccc2)c(C)c1 ZINC000536898069 1032408937 /nfs/dbraw/zinc/40/89/37/1032408937.db2.gz UIPVGXHQVKYMAH-UHFFFAOYSA-N -1 0 341.436 3.505 20 0 EHADRM CC[C@H](C(=O)N[N-]C(=O)c1cc2ccccc2o1)c1ccc(F)cc1 ZINC000160808158 1032409167 /nfs/dbraw/zinc/40/91/67/1032409167.db2.gz ARPMIUMHNPKWAO-HNNXBMFYSA-N -1 0 340.354 3.527 20 0 EHADRM Cc1c(CSC(C)C)cccc1NC(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000262997343 1032407330 /nfs/dbraw/zinc/40/73/30/1032407330.db2.gz FNMLEJGRNBZYEM-GFCCVEGCSA-N -1 0 338.473 3.821 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2nnc(C3CC3)s2)cc1 ZINC000083955529 1032408260 /nfs/dbraw/zinc/40/82/60/1032408260.db2.gz NEJHXEKZBXUALA-UHFFFAOYSA-N -1 0 337.470 3.514 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2nnc(C3CC3)s2)cc1 ZINC000083955519 1032408810 /nfs/dbraw/zinc/40/88/10/1032408810.db2.gz GYVXIEIDMCODCM-SNVBAGLBSA-N -1 0 337.470 3.730 20 0 EHADRM Cc1cc(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)ccc1-c1ccccc1 ZINC000263034786 1032415445 /nfs/dbraw/zinc/41/54/45/1032415445.db2.gz KZOAUVUYQGECOW-MRXNPFEDSA-N -1 0 338.407 3.991 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N(C)[C@@H](C)c2ccco2)n1 ZINC000084384182 1032424784 /nfs/dbraw/zinc/42/47/84/1032424784.db2.gz MLDQRLWJEUFTNE-ZDUSSCGKSA-N -1 0 339.395 3.567 20 0 EHADRM CCOCc1ccc([N-]S(=O)(=O)c2cnc3ccsc3c2)cc1 ZINC000084461005 1032430733 /nfs/dbraw/zinc/43/07/33/1032430733.db2.gz AJOPSSTXDICJIQ-UHFFFAOYSA-N -1 0 348.449 3.634 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(c2nc3ccccc3o2)CC1 ZINC000584410375 1032448396 /nfs/dbraw/zinc/44/83/96/1032448396.db2.gz BEQJBIUAPYTHRZ-UHFFFAOYSA-N -1 0 336.391 3.985 20 0 EHADRM C[C@@H](CCNC(=O)C1(C(=O)[O-])CCC1)c1cccc(C(F)(F)F)c1 ZINC000584410305 1032448871 /nfs/dbraw/zinc/44/88/71/1032448871.db2.gz BQHXJBQZNLWRNX-NSHDSACASA-N -1 0 343.345 3.570 20 0 EHADRM O=C([O-])CCCCCNC(=O)N(Cc1ccccc1)CC1CCC1 ZINC000414632735 1017093004 /nfs/dbraw/zinc/09/30/04/1017093004.db2.gz YRHKSNDCVRCZHW-UHFFFAOYSA-N -1 0 332.444 3.643 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)/C=C/c2c(Cl)cccc2Cl)C1 ZINC000314822727 1032552739 /nfs/dbraw/zinc/55/27/39/1032552739.db2.gz DPOKYSAZZYYASK-XUIVZRPNSA-N -1 0 342.222 3.720 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])CC2 ZINC000602014041 1032581553 /nfs/dbraw/zinc/58/15/53/1032581553.db2.gz WVSLJRWDIMMXCI-BFQNTYOBSA-N -1 0 335.469 3.508 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)N1CCC[C@H]1CCCc1ccccc1)C(=O)[O-] ZINC000601999125 1032588957 /nfs/dbraw/zinc/58/89/57/1032588957.db2.gz BXNXZTNANITHER-YQQAZPJKSA-N -1 0 349.496 3.595 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-] ZINC000601992777 1032584695 /nfs/dbraw/zinc/58/46/95/1032584695.db2.gz QSHJOQBUWISAAQ-WOPDTQHZSA-N -1 0 335.425 3.513 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-] ZINC000601992753 1032584793 /nfs/dbraw/zinc/58/47/93/1032584793.db2.gz QSHJOQBUWISAAQ-UTUOFQBUSA-N -1 0 335.425 3.513 20 0 EHADRM CSCCc1ccccc1NC(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000601999910 1032586851 /nfs/dbraw/zinc/58/68/51/1032586851.db2.gz ABLUEPUESXCDCX-MRXNPFEDSA-N -1 0 343.448 3.789 20 0 EHADRM Cc1ccc(C)c([C@@H]2CCCN2C(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])c1 ZINC000601998753 1032587043 /nfs/dbraw/zinc/58/70/43/1032587043.db2.gz IMBJPLYZIFWSBF-YCPHGPKFSA-N -1 0 335.469 3.562 20 0 EHADRM CCN(CCSC)C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000592918373 1032612551 /nfs/dbraw/zinc/61/25/51/1032612551.db2.gz PQELZQKOSGRVSM-UHFFFAOYSA-N -1 0 347.484 3.526 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)N(C)C[C@@H](C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000414623414 1017073307 /nfs/dbraw/zinc/07/33/07/1017073307.db2.gz HWODSYHTSJYUTQ-ZOWXZIJZSA-N -1 0 340.851 3.789 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CC2(CCCC2)c2c1cccc2F ZINC000659121990 1017165856 /nfs/dbraw/zinc/16/58/56/1017165856.db2.gz OKKSHLGYVLSSLN-UHFFFAOYSA-N -1 0 343.354 3.898 20 0 EHADRM Cc1cc(F)ccc1C(=O)/C=C/c1cccc(OCCC(=O)[O-])c1 ZINC000066746455 1017182798 /nfs/dbraw/zinc/18/27/98/1017182798.db2.gz HPLNGXJHIVLKAN-VMPITWQZSA-N -1 0 328.339 3.884 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCSC[C@H]1c1ccccc1 ZINC000183627246 1017356271 /nfs/dbraw/zinc/35/62/71/1017356271.db2.gz TZCJAJUFVLGRSK-HNNXBMFYSA-N -1 0 333.840 3.976 20 0 EHADRM O=C(N[C@@H]1CCCOc2c(F)cccc21)c1ccc([O-])c(Cl)c1 ZINC000183615471 1017362409 /nfs/dbraw/zinc/36/24/09/1017362409.db2.gz QXBXOVWCMYHXEH-CQSZACIVSA-N -1 0 335.762 3.828 20 0 EHADRM CCN(C(=O)N(C)[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)C(C)C ZINC000547922574 1017365485 /nfs/dbraw/zinc/36/54/85/1017365485.db2.gz SCJBDLRPTKEMCP-ZDUSSCGKSA-N -1 0 346.349 3.613 20 0 EHADRM C/C(=C/C(=O)NCCCCCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000236642765 1017394417 /nfs/dbraw/zinc/39/44/17/1017394417.db2.gz LDJJRHWEZNXVOK-QXMHVHEDSA-N -1 0 343.345 3.870 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2c(F)cc(Cl)cc2F)CCCCC1 ZINC000091516204 1032705872 /nfs/dbraw/zinc/70/58/72/1032705872.db2.gz VHIJFEIMEJOWBV-UHFFFAOYSA-N -1 0 331.746 3.982 20 0 EHADRM CC[C@H](C(=O)[N-]O[C@@H]1CCCCO1)c1cccc(C(F)(F)F)c1 ZINC000175814330 1017782206 /nfs/dbraw/zinc/78/22/06/1017782206.db2.gz BKTPKBNWBIIESL-UONOGXRCSA-N -1 0 331.334 3.773 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC(c2cccnc2)CC1 ZINC000683631130 1017810808 /nfs/dbraw/zinc/81/08/08/1017810808.db2.gz NLWNBKBEOWJBMQ-UHFFFAOYSA-N -1 0 334.778 3.600 20 0 EHADRM CCC[C@H](NC(=O)NC[C@H](C)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000655865718 1017818583 /nfs/dbraw/zinc/81/85/83/1017818583.db2.gz JZVGIKQAYOPHJP-GWCFXTLKSA-N -1 0 346.349 3.567 20 0 EHADRM Cc1cc(C)cc([C@H](C)NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000655867906 1017824709 /nfs/dbraw/zinc/82/47/09/1017824709.db2.gz MZFBBVMWDQIURQ-NXNVCVFFSA-N -1 0 346.471 3.799 20 0 EHADRM CSc1nnc(-c2nc(=O)c3cc(C(C)(C)C)sc3[n-]2)s1 ZINC000189437315 1017841458 /nfs/dbraw/zinc/84/14/58/1017841458.db2.gz GQQDFWQPISTIGN-UHFFFAOYSA-N -1 0 338.483 3.523 20 0 EHADRM CC(C)[C@@H](CNC(=O)N1CC2(CCCC2)[C@H]1c1ccccc1)C(=O)[O-] ZINC000655897100 1017876160 /nfs/dbraw/zinc/87/61/60/1017876160.db2.gz RTRJLQXZKVRIDM-IAGOWNOFSA-N -1 0 344.455 3.670 20 0 EHADRM C[C@H](NC(=O)N(C)[C@@H](C)c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655908951 1017907431 /nfs/dbraw/zinc/90/74/31/1017907431.db2.gz XJRHAYRYMZQAGM-DARAHFNDSA-N -1 0 332.444 3.524 20 0 EHADRM Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000602271312 1032743084 /nfs/dbraw/zinc/74/30/84/1032743084.db2.gz SPJLXGSIVSMNOW-SQNIBIBYSA-N -1 0 329.440 3.865 20 0 EHADRM CC(C)c1ccc(S(=O)(=O)[N-]c2nnc(-c3ccco3)s2)cc1 ZINC000471508096 1018420233 /nfs/dbraw/zinc/42/02/33/1018420233.db2.gz PNUSGPZGLSJPRK-UHFFFAOYSA-N -1 0 349.437 3.722 20 0 EHADRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1Cc1cc(-c2ccco2)on1 ZINC000584541489 1018542016 /nfs/dbraw/zinc/54/20/16/1018542016.db2.gz KMRLSCOLQXXWTF-GOEBONIOSA-N -1 0 344.411 3.790 20 0 EHADRM Cc1cc(NC(=O)c2ccc(C(=O)[O-])nc2)ccc1Oc1ccncc1 ZINC000683794509 1018597580 /nfs/dbraw/zinc/59/75/80/1018597580.db2.gz NVALKUOWBXXFIK-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM CN(C(=O)N[C@@H]1CCSc2ccccc21)C1(C(=O)[O-])CCCCC1 ZINC000580147656 1018706849 /nfs/dbraw/zinc/70/68/49/1018706849.db2.gz FWLHEXKRHNBERO-CQSZACIVSA-N -1 0 348.468 3.652 20 0 EHADRM CC(C)(NC(=O)Nc1cc(Cl)c(Cl)c(Cl)c1)C(=O)[O-] ZINC000404254382 1018932146 /nfs/dbraw/zinc/93/21/46/1018932146.db2.gz OCYNRPKTLHCIML-UHFFFAOYSA-N -1 0 325.579 3.632 20 0 EHADRM CCOc1cc(Cl)ccc1NC(=O)CC(CC)(CC)C(=O)[O-] ZINC000237064512 1018933254 /nfs/dbraw/zinc/93/32/54/1018933254.db2.gz GXDYWBANWNUVKK-UHFFFAOYSA-N -1 0 327.808 3.958 20 0 EHADRM Cc1c(S(=O)(=O)[N-]c2ncccc2C(C)C)c2ccccc2n1C ZINC000340637137 1019037551 /nfs/dbraw/zinc/03/75/51/1019037551.db2.gz BVICMKQFRMQGNI-UHFFFAOYSA-N -1 0 343.452 3.806 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)Nc1cc(Cl)ccc1Cl)C1CCC1 ZINC000683921048 1019242005 /nfs/dbraw/zinc/24/20/05/1019242005.db2.gz MKQMZBIOUAAGCS-MRVPVSSYSA-N -1 0 331.199 3.853 20 0 EHADRM Nc1ccc(F)c(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)c1 ZINC001211837440 1019293901 /nfs/dbraw/zinc/29/39/01/1019293901.db2.gz MMDWXPTUNNWFFZ-UHFFFAOYSA-N -1 0 332.356 3.551 20 0 EHADRM O=C([N-][C@H](c1ccc(Br)cc1)C1CCC1)C(F)(F)F ZINC000729328145 1019294579 /nfs/dbraw/zinc/29/45/79/1019294579.db2.gz OCZIBEZYXSWIRN-NSHDSACASA-N -1 0 336.151 3.969 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000237095338 1019312956 /nfs/dbraw/zinc/31/29/56/1019312956.db2.gz BMXNNMNNGCRKHJ-JLHYYAGUSA-N -1 0 325.364 3.744 20 0 EHADRM CC(C)c1cc(Br)ccc1NC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC000262044160 1019521003 /nfs/dbraw/zinc/52/10/03/1019521003.db2.gz HWYYCJDCIXHYQZ-GHMZBOCLSA-N -1 0 340.217 3.622 20 0 EHADRM CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)[C@H]2CC[C@@H]2C(=O)[O-])cc1 ZINC000262131261 1019543661 /nfs/dbraw/zinc/54/36/61/1019543661.db2.gz NZMIPGLEUHXULU-ULQDDVLXSA-N -1 0 329.440 3.758 20 0 EHADRM COCc1cccc(S(=O)(=O)Nc2ccc(COC(C)C)cc2)c1 ZINC000171339014 1032838376 /nfs/dbraw/zinc/83/83/76/1032838376.db2.gz XXBYUQAPZCSFMA-UHFFFAOYSA-N -1 0 349.452 3.559 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)CCc1ccc(Cl)cc1)CC2 ZINC000262159836 1019550038 /nfs/dbraw/zinc/55/00/38/1019550038.db2.gz OYQXVASCWYLNMS-UHFFFAOYSA-N -1 0 343.810 3.556 20 0 EHADRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(Cl)ccc2F)c1C ZINC000340727115 1019637600 /nfs/dbraw/zinc/63/76/00/1019637600.db2.gz RTPVCEUHLOPNGG-SECBINFHSA-N -1 0 345.827 3.756 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2O)c1Cl ZINC000433802624 1019647537 /nfs/dbraw/zinc/64/75/37/1019647537.db2.gz QKKXKYKHUOEHRM-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cccc3c2OC(C)(C)C3)cc1 ZINC000656253244 1019680136 /nfs/dbraw/zinc/68/01/36/1019680136.db2.gz UUTGMMGIWNHSQO-GFCCVEGCSA-N -1 0 339.391 3.841 20 0 EHADRM Cc1cc(OCc2ccccc2)ccc1NC(=O)[C@H]1CC[C@@H]1C(=O)[O-] ZINC000262657210 1019697659 /nfs/dbraw/zinc/69/76/59/1019697659.db2.gz LYUDZHJGHUGGII-IRXDYDNUSA-N -1 0 339.391 3.623 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cc(-c3ccccc3C)[nH]n2)c1F ZINC000513452506 1019704608 /nfs/dbraw/zinc/70/46/08/1019704608.db2.gz NIHDVQPABGHQQG-UHFFFAOYSA-N -1 0 345.399 3.633 20 0 EHADRM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1cccc(C(=O)[O-])n1 ZINC000262855426 1019747027 /nfs/dbraw/zinc/74/70/27/1019747027.db2.gz UPVDOCGCADSHOQ-LLVKDONJSA-N -1 0 347.440 3.501 20 0 EHADRM CCSCc1ccc(C(=O)N2CC[C@@](C(=O)[O-])(C(C)C)C2)cc1 ZINC000262920574 1019767526 /nfs/dbraw/zinc/76/75/26/1019767526.db2.gz NYDJTBHQCLFVDJ-SFHVURJKSA-N -1 0 335.469 3.513 20 0 EHADRM Cc1cc(NC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)ccc1C1CC1 ZINC000580632078 1019770556 /nfs/dbraw/zinc/77/05/56/1019770556.db2.gz NHPRPCMQCGSGQH-IFXJQAMLSA-N -1 0 328.412 3.591 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)CC[C@H]1C(=O)[O-] ZINC000262965169 1019778067 /nfs/dbraw/zinc/77/80/67/1019778067.db2.gz MINXBCQKRUEXFV-IUODEOHRSA-N -1 0 342.439 3.648 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(Oc3ccccc3)o2)C1 ZINC000262994870 1019786229 /nfs/dbraw/zinc/78/62/29/1019786229.db2.gz OKJPJGPFEUMBIY-IBGZPJMESA-N -1 0 343.379 3.645 20 0 EHADRM Cc1ccc(SC2CCCC2)c(C(=O)N[C@@H](C)[C@H](C)C(=O)[O-])c1 ZINC000263403175 1019898905 /nfs/dbraw/zinc/89/89/05/1019898905.db2.gz FPKTWNRIFNTUDC-STQMWFEESA-N -1 0 335.469 3.869 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)c(C)o1 ZINC000345113308 1019957574 /nfs/dbraw/zinc/95/75/74/1019957574.db2.gz HHYXVDZZYNWNPX-UHFFFAOYSA-N -1 0 348.193 3.599 20 0 EHADRM O=C([O-])C1CCC(CC(=O)Nc2cccc(-c3cnco3)c2)CC1 ZINC000580776445 1019998866 /nfs/dbraw/zinc/99/88/66/1019998866.db2.gz TVXODDVMDATJJA-UHFFFAOYSA-N -1 0 328.368 3.561 20 0 EHADRM COc1ccc([C@H](C)N=c2nc(CC(C)C)[n-]s2)c(C)c1OC ZINC000580885737 1020191428 /nfs/dbraw/zinc/19/14/28/1020191428.db2.gz NZUYHHFFLCMTTP-LBPRGKRZSA-N -1 0 335.473 3.657 20 0 EHADRM Cc1cnc(F)c(Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)c1 ZINC001211506257 1020290295 /nfs/dbraw/zinc/29/02/95/1020290295.db2.gz UBFOJXHKXWLTTM-UHFFFAOYSA-N -1 0 332.356 3.673 20 0 EHADRM O=C(Nc1ncc(C2CCOCC2)s1)c1ccc(Cl)cc1[O-] ZINC000580993648 1020340261 /nfs/dbraw/zinc/34/02/61/1020340261.db2.gz OFDQVXQDZDNVIF-UHFFFAOYSA-N -1 0 338.816 3.648 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1nc(C2CC2)n2ccccc12 ZINC000345589406 1020378999 /nfs/dbraw/zinc/37/89/99/1020378999.db2.gz NIUULCAYBWJDEN-UHFFFAOYSA-N -1 0 345.761 3.962 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1csc(C(F)(F)F)n1 ZINC000345628207 1020403393 /nfs/dbraw/zinc/40/33/93/1020403393.db2.gz QKPNJMJUCLGAAY-UHFFFAOYSA-N -1 0 340.685 3.912 20 0 EHADRM CC(C)c1nc(/C=C\c2cccc3c2OCCCO3)ncc1C(=O)[O-] ZINC000345663806 1020435355 /nfs/dbraw/zinc/43/53/55/1020435355.db2.gz LULLLMYMMQVERR-FPLPWBNLSA-N -1 0 340.379 3.630 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@H]1CCC(=O)c2ccccc21 ZINC000345706879 1020463164 /nfs/dbraw/zinc/46/31/64/1020463164.db2.gz NCWZYXGHNGZYDV-NSHDSACASA-N -1 0 333.746 3.884 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cnc([C@@H]2CCCO2)s1 ZINC000345713151 1020466923 /nfs/dbraw/zinc/46/69/23/1020466923.db2.gz WQCHMCWCLRJLIA-NSHDSACASA-N -1 0 342.779 3.745 20 0 EHADRM O=C([O-])CCCCC(=O)N(Cc1cccs1)Cc1cccs1 ZINC000262035116 1020490388 /nfs/dbraw/zinc/49/03/88/1020490388.db2.gz ZJFUGUWTUZMGQX-UHFFFAOYSA-N -1 0 337.466 3.983 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3ccccn3)cc2)c1F ZINC000581255239 1020595438 /nfs/dbraw/zinc/59/54/38/1020595438.db2.gz YYEYOZVRBQRVRW-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM O=C([O-])c1sc2ccsc2c1CNC(=O)[C@H]1Cc2ccccc21 ZINC000345912008 1020606108 /nfs/dbraw/zinc/60/61/08/1020606108.db2.gz WHSLDZSWSMBEME-NSHDSACASA-N -1 0 343.429 3.617 20 0 EHADRM COc1cccc([C@H](C(=O)[O-])N(C)C(=O)Nc2ccc(C)c(C)c2)c1 ZINC000656474744 1020690184 /nfs/dbraw/zinc/69/01/84/1020690184.db2.gz IFGKDBUIIHSQOS-QGZVFWFLSA-N -1 0 342.395 3.602 20 0 EHADRM O=C([O-])c1ccc2c(c1)[C@@H](CNC(=O)CCc1ccccc1)CCC2 ZINC000656475452 1020695608 /nfs/dbraw/zinc/69/56/08/1020695608.db2.gz UVPFXLZHPNKDIW-GOSISDBHSA-N -1 0 337.419 3.554 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c(C)n1 ZINC000128761970 1020698989 /nfs/dbraw/zinc/69/89/89/1020698989.db2.gz GFCRKFYOILLDFD-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000340970619 1020704811 /nfs/dbraw/zinc/70/48/11/1020704811.db2.gz MVIFUFYSJOBSIT-UHFFFAOYSA-N -1 0 328.340 3.599 20 0 EHADRM CCC(CC)(NC(=O)N[C@@H](C)c1cccc2ccccc21)C(=O)[O-] ZINC000581347298 1020724625 /nfs/dbraw/zinc/72/46/25/1020724625.db2.gz OXUIPZRGTJPDGW-ZDUSSCGKSA-N -1 0 328.412 3.843 20 0 EHADRM C[C@H]1[C@H](C(=O)[O-])CCN1c1nc2cc(C(F)(F)F)ccc2s1 ZINC000565953167 1020741864 /nfs/dbraw/zinc/74/18/64/1020741864.db2.gz BJXRQRRRNHUAQX-IONNQARKSA-N -1 0 330.331 3.615 20 0 EHADRM CN(C[C@H](O)C1CC1)C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000089880251 1020821548 /nfs/dbraw/zinc/82/15/48/1020821548.db2.gz XMACLSRNXBISQQ-KRWDZBQOSA-N -1 0 345.826 3.556 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(F)c3ccccc23)C1 ZINC000326094756 1020852726 /nfs/dbraw/zinc/85/27/26/1020852726.db2.gz UZSMCDSGJNOKAS-LJQANCHMSA-N -1 0 329.371 3.552 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)N[C@H](C)c2ccc[nH]2)c1Cl ZINC000760406728 1032939089 /nfs/dbraw/zinc/93/90/89/1032939089.db2.gz SKECFNUJIXNIMM-SECBINFHSA-N -1 0 333.240 3.669 20 0 EHADRM Cc1nc(C(=O)[O-])c(-c2ccc(OC[C@@H]3CCCCO3)cc2)s1 ZINC000581439873 1020918540 /nfs/dbraw/zinc/91/85/40/1020918540.db2.gz MEPIKCDQWODUHW-AWEZNQCLSA-N -1 0 333.409 3.765 20 0 EHADRM CCCCOc1ccc(C[NH2+][C@@H](CC(=O)[O-])c2ccncc2)cc1 ZINC000656567340 1020923753 /nfs/dbraw/zinc/92/37/53/1020923753.db2.gz NJMYRCZOZASOOV-SFHVURJKSA-N -1 0 328.412 3.566 20 0 EHADRM CC(C)Sc1ccc([C@H](C)NC(=O)N2CC3CC2(C(=O)[O-])C3)cc1 ZINC000656580122 1020963424 /nfs/dbraw/zinc/96/34/24/1020963424.db2.gz YBSULBJMJWNZBC-ZVLZOBCMSA-N -1 0 348.468 3.507 20 0 EHADRM CC(C)c1scnc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000341101522 1020979524 /nfs/dbraw/zinc/97/95/24/1020979524.db2.gz SIWUEPZTJIGPOH-UHFFFAOYSA-N -1 0 339.467 3.677 20 0 EHADRM C/C=C/C[C@H](NC(=O)Nc1ccc(OCCC(C)C)cc1)C(=O)[O-] ZINC000581526466 1021054508 /nfs/dbraw/zinc/05/45/08/1021054508.db2.gz RPRRTASUZWSSEA-APHBUQMISA-N -1 0 334.416 3.652 20 0 EHADRM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc(C(F)F)nc1 ZINC000656634433 1021067385 /nfs/dbraw/zinc/06/73/85/1021067385.db2.gz YCSOWZCORGZKIB-UHFFFAOYSA-N -1 0 340.395 3.945 20 0 EHADRM O=C([O-])C1CCC(CC(=O)NCC2(c3ccccc3)CCCC2)CC1 ZINC000581550776 1021080650 /nfs/dbraw/zinc/08/06/50/1021080650.db2.gz OBMBFKXSCWWJEK-UHFFFAOYSA-N -1 0 343.467 3.896 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2c[nH]nc2C2CC2)c1Cl ZINC000581558848 1021084573 /nfs/dbraw/zinc/08/45/73/1021084573.db2.gz CUQMWPXDRXUOIV-UHFFFAOYSA-N -1 0 346.239 3.703 20 0 EHADRM O=C(c1ccccc1O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000436778062 1021206162 /nfs/dbraw/zinc/20/61/62/1021206162.db2.gz FCASFRMJTLQDNQ-CQSZACIVSA-N -1 0 347.212 3.527 20 0 EHADRM CC(C)Cc1ccc([C@H](NC(=O)[C@H]2CC[C@@H]2C(=O)[O-])C(C)C)cc1 ZINC000507362161 1021218720 /nfs/dbraw/zinc/21/87/20/1021218720.db2.gz XFOWDRIROFPWHT-OKZBNKHCSA-N -1 0 331.456 3.809 20 0 EHADRM CC(C)[C@H](CNC(=O)c1cc(F)cc(Cl)c1[O-])c1cccnc1 ZINC000436790238 1021230935 /nfs/dbraw/zinc/23/09/35/1021230935.db2.gz GFKHSOJDFJBTTH-AWEZNQCLSA-N -1 0 336.794 3.749 20 0 EHADRM CCC(=O)c1cccc(S(=O)(=O)[N-]c2nccc(C)c2C2CC2)c1 ZINC000656737904 1021234792 /nfs/dbraw/zinc/23/47/92/1021234792.db2.gz CNSPFQHLTQYCSJ-UHFFFAOYSA-N -1 0 344.436 3.661 20 0 EHADRM CCc1ccc(C(=O)N[C@H](c2ccccc2)c2ccccn2)c(O)c1 ZINC000436797976 1021241636 /nfs/dbraw/zinc/24/16/36/1021241636.db2.gz QAWYJBBSPGSENU-HXUWFJFHSA-N -1 0 332.403 3.869 20 0 EHADRM O=C([O-])[C@H]1CC[C@H]1C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000507401416 1021253950 /nfs/dbraw/zinc/25/39/50/1021253950.db2.gz JEZMBUQDOBBGPR-CVEARBPZSA-N -1 0 329.327 3.667 20 0 EHADRM COC(C)(C)CS(=O)(=O)[N-]c1ccccc1Oc1cccc(C)c1 ZINC000439247755 1021269775 /nfs/dbraw/zinc/26/97/75/1021269775.db2.gz OKFQBSBFBOCMKG-UHFFFAOYSA-N -1 0 349.452 3.954 20 0 EHADRM COc1ccccc1-c1cccc(NC(=O)C2(C(=O)[O-])CCC2)c1 ZINC000518540566 1021283517 /nfs/dbraw/zinc/28/35/17/1021283517.db2.gz SLGUAFSUCCUSMD-UHFFFAOYSA-N -1 0 325.364 3.556 20 0 EHADRM O=C(Nc1cc(Br)cc(Cl)c1[O-])c1ccncc1F ZINC000342463398 1021290374 /nfs/dbraw/zinc/29/03/74/1021290374.db2.gz RORKKHOXLKXHJQ-UHFFFAOYSA-N -1 0 345.555 3.595 20 0 EHADRM CC1(C)CO[C@@H](c2cccc(Cl)c2)CN1Cc1ccc(C(=O)[O-])o1 ZINC000656765003 1021297386 /nfs/dbraw/zinc/29/73/86/1021297386.db2.gz HROPZTFICRHXBF-MRXNPFEDSA-N -1 0 349.814 3.983 20 0 EHADRM CC(C)Oc1ccccc1C[N@@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000656766418 1021300293 /nfs/dbraw/zinc/30/02/93/1021300293.db2.gz RMSZUMUEXGKCIG-OKZBNKHCSA-N -1 0 331.456 3.939 20 0 EHADRM Cc1ncsc1NC(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000436906068 1021352104 /nfs/dbraw/zinc/35/21/04/1021352104.db2.gz IWHHCCLTFNXURH-UHFFFAOYSA-N -1 0 347.621 3.825 20 0 EHADRM Cc1ccc2ncc(-c3noc(-c4cc(Cl)ccc4[O-])n3)n2c1 ZINC000436879277 1021327544 /nfs/dbraw/zinc/32/75/44/1021327544.db2.gz FULDOVORKAJSTK-UHFFFAOYSA-N -1 0 326.743 3.719 20 0 EHADRM COC(=O)c1cccc(NC(=O)CC2(C(=O)[O-])CCCCCC2)c1C ZINC000044830617 1021355220 /nfs/dbraw/zinc/35/52/20/1021355220.db2.gz FRXVJWIHFFJTGA-UHFFFAOYSA-N -1 0 347.411 3.535 20 0 EHADRM Cc1ccc(NC(=O)c2cc(Cl)ccc2[O-])cc1NC(=O)N(C)C ZINC000436930756 1021368291 /nfs/dbraw/zinc/36/82/91/1021368291.db2.gz YHTGHSOFFHFPBR-UHFFFAOYSA-N -1 0 347.802 3.700 20 0 EHADRM CC(C)(C)CC[C@H](CO)NC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000436926875 1021386100 /nfs/dbraw/zinc/38/61/00/1021386100.db2.gz LUEOPEWIMJEWAU-SNVBAGLBSA-N -1 0 334.243 3.616 20 0 EHADRM COc1cc(F)c(F)cc1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436939616 1021401857 /nfs/dbraw/zinc/40/18/57/1021401857.db2.gz PJEJDPLLYKJKHS-UHFFFAOYSA-N -1 0 331.677 3.724 20 0 EHADRM Cc1cccc(C)c1OCCNC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436941529 1021404488 /nfs/dbraw/zinc/40/44/88/1021404488.db2.gz DRRFIWOVDBLWSK-UHFFFAOYSA-N -1 0 337.778 3.610 20 0 EHADRM CCCN(C(=O)c1c([O-])cccc1F)[C@@H]1CCc2ccccc2C1 ZINC000436948129 1021408698 /nfs/dbraw/zinc/40/86/98/1021408698.db2.gz HXVDOVHUAPBYKP-MRXNPFEDSA-N -1 0 327.399 3.941 20 0 EHADRM Cc1c(NC(=O)c2cc(F)cc(Cl)c2[O-])cnn1CC(C)C ZINC000436961671 1021410196 /nfs/dbraw/zinc/41/01/96/1021410196.db2.gz IAUDPNTVQIQPAC-UHFFFAOYSA-N -1 0 325.771 3.598 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000436964606 1021411820 /nfs/dbraw/zinc/41/18/20/1021411820.db2.gz RRFQPSQYQQKDJD-UHFFFAOYSA-N -1 0 329.346 3.990 20 0 EHADRM CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436954328 1021419554 /nfs/dbraw/zinc/41/95/54/1021419554.db2.gz VPFJAYUDEZGJRC-UONOGXRCSA-N -1 0 343.826 3.850 20 0 EHADRM Cc1ccc(F)cc1NC(=O)c1cc(F)cc(Br)c1[O-] ZINC000436998079 1021453951 /nfs/dbraw/zinc/45/39/51/1021453951.db2.gz HRTJEMKHXIFNLJ-UHFFFAOYSA-N -1 0 342.139 3.994 20 0 EHADRM COc1ccc(C)cc1NS(=O)(=O)CCc1cccc(Cl)c1 ZINC000506583910 1021455844 /nfs/dbraw/zinc/45/58/44/1021455844.db2.gz MVISZFKIJUJNHT-UHFFFAOYSA-N -1 0 339.844 3.641 20 0 EHADRM COCc1ccc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc1C(F)(F)F ZINC000656854469 1021480036 /nfs/dbraw/zinc/48/00/36/1021480036.db2.gz DKGBJBVLFBMDQE-LBPRGKRZSA-N -1 0 347.333 3.537 20 0 EHADRM CC(C)c1nc(=NCc2cc(F)c(F)cc2Br)s[n-]1 ZINC000579021180 1021543497 /nfs/dbraw/zinc/54/34/97/1021543497.db2.gz YMDKMPWVSSHGJQ-UHFFFAOYSA-N -1 0 348.216 3.736 20 0 EHADRM CCCC[C@H](NC(=O)N[C@H](C)c1cc2ccccc2s1)C(=O)[O-] ZINC000518815833 1021593581 /nfs/dbraw/zinc/59/35/81/1021593581.db2.gz KOUYLPWPWMOPKD-YPMHNXCESA-N -1 0 334.441 3.905 20 0 EHADRM Cc1c(Cl)cc(F)c(NC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)c1F ZINC000519704210 1021618067 /nfs/dbraw/zinc/61/80/67/1021618067.db2.gz HBRAMHSPEHLMJD-IONNQARKSA-N -1 0 346.761 3.501 20 0 EHADRM Cc1csc(S(=O)(=O)[N-]c2nc3ccccc3n2C(C)C)c1 ZINC000516665355 1021649780 /nfs/dbraw/zinc/64/97/80/1021649780.db2.gz YBKDGFRHFFCYKY-UHFFFAOYSA-N -1 0 335.454 3.788 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N([C@H](C)C(=O)[O-])C2CC2)cc1Cl ZINC000519742153 1021653544 /nfs/dbraw/zinc/65/35/44/1021653544.db2.gz ZDAJTEACFKUNSH-SNVBAGLBSA-N -1 0 340.807 3.597 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000439700316 1021659915 /nfs/dbraw/zinc/65/99/15/1021659915.db2.gz XDCWWOXPFNEEOO-KBXCAEBGSA-N -1 0 337.419 3.958 20 0 EHADRM COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1ccc([O-])c(Cl)c1 ZINC000439733432 1021679507 /nfs/dbraw/zinc/67/95/07/1021679507.db2.gz OBFICMIPPJDWRU-FUHWJXTLSA-N -1 0 331.799 3.514 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)N[C@@H](C)c1ccc(OC(C)C)cc1)C1CC1 ZINC000519803078 1021692823 /nfs/dbraw/zinc/69/28/23/1021692823.db2.gz CTPYMYNVNDKPRR-GUYCJALGSA-N -1 0 348.443 3.572 20 0 EHADRM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000909415129 1021784949 /nfs/dbraw/zinc/78/49/49/1021784949.db2.gz SBBROBIWIVBHNJ-WLFNNFSESA-N -1 0 345.414 3.565 20 0 EHADRM Fc1ccc(CC2(CN=c3[n-]c(C(F)(F)F)ns3)CC2)cc1 ZINC000516884146 1021816088 /nfs/dbraw/zinc/81/60/88/1021816088.db2.gz UCDFFTKJNXYNDN-UHFFFAOYSA-N -1 0 331.338 3.553 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)NCc2cccc3cc[nH]c32)s1 ZINC000341422684 1021824994 /nfs/dbraw/zinc/82/49/94/1021824994.db2.gz JCNMQUOPPFQUFA-UHFFFAOYSA-N -1 0 343.456 3.667 20 0 EHADRM CCSc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])cc2C)cc1 ZINC000439944333 1021836310 /nfs/dbraw/zinc/83/63/10/1021836310.db2.gz LEDPHAOLTMJGCY-UHFFFAOYSA-N -1 0 345.420 3.823 20 0 EHADRM CC(C)(C)OC(=O)c1cccc([N-]S(=O)(=O)c2ccsc2)c1 ZINC000516926588 1021858328 /nfs/dbraw/zinc/85/83/28/1021858328.db2.gz HWDABFGRNGAZST-UHFFFAOYSA-N -1 0 339.438 3.504 20 0 EHADRM CCOc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2C)cc1OCC ZINC000327599055 1021895947 /nfs/dbraw/zinc/89/59/47/1021895947.db2.gz JRCMSVZYQCNQEV-UHFFFAOYSA-N -1 0 343.379 3.743 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2CC[C@H](c3ccccc3)[C@@H](C)C2)s1 ZINC000437552432 1021936728 /nfs/dbraw/zinc/93/67/28/1021936728.db2.gz AVHKUEQMDGBTFW-ZFWWWQNUSA-N -1 0 344.484 3.570 20 0 EHADRM CC(C)C(C)(C)[S@@](=O)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000517014507 1021940992 /nfs/dbraw/zinc/94/09/92/1021940992.db2.gz CLIMNSOOWMAGPY-BLVKFPJESA-N -1 0 347.274 3.758 20 0 EHADRM C[C@H](NC(=O)N(C)C1(C(=O)[O-])CCCC1)c1c(F)cccc1Cl ZINC000517068770 1021993921 /nfs/dbraw/zinc/99/39/21/1021993921.db2.gz FZVZLQGWTPNSKQ-JTQLQIEISA-N -1 0 342.798 3.579 20 0 EHADRM Cc1c(Cl)cc(NC(=O)N(CC(=O)[O-])C2CCC2)cc1Cl ZINC000517213596 1022123885 /nfs/dbraw/zinc/12/38/85/1022123885.db2.gz BIVHCGKMEYMDEP-UHFFFAOYSA-N -1 0 331.199 3.773 20 0 EHADRM CN(C(=O)NCc1ccc2ccccc2c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000520320585 1022125692 /nfs/dbraw/zinc/12/56/92/1022125692.db2.gz MJUAINHMCFTTOY-LJQANCHMSA-N -1 0 348.402 3.807 20 0 EHADRM O=C([O-])c1csc(CNCc2ccc(-c3ccccc3)s2)n1 ZINC000426640189 1022126840 /nfs/dbraw/zinc/12/68/40/1022126840.db2.gz QQBVRLZQWJOEPS-UHFFFAOYSA-N -1 0 330.434 3.860 20 0 EHADRM CCc1nc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)ccc1C(=O)[O-] ZINC000426652656 1022148526 /nfs/dbraw/zinc/14/85/26/1022148526.db2.gz WDFIVAGOLFLIAH-UHFFFAOYSA-N -1 0 338.329 3.651 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)N=c2[n-]nc(C(C)(C)C)s2)cc1 ZINC000425916459 1022183343 /nfs/dbraw/zinc/18/33/43/1022183343.db2.gz IREOITIJQGYVTO-LLVKDONJSA-N -1 0 333.457 3.687 20 0 EHADRM Cc1ccc(NC(=O)N([C@@H](Cc2ccccc2)C(=O)[O-])C2CC2)s1 ZINC000517273191 1022186137 /nfs/dbraw/zinc/18/61/37/1022186137.db2.gz KTYCMWHFRPBUFG-HNNXBMFYSA-N -1 0 344.436 3.749 20 0 EHADRM C[C@H](c1ccccc1)[C@H](C)NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000473629442 1022279148 /nfs/dbraw/zinc/27/91/48/1022279148.db2.gz ZKJDRQYFKCITMX-CKJXQJPGSA-N -1 0 339.435 3.727 20 0 EHADRM CCC[C@@H](C)N(C)C(=O)N=c1[n-]nc(Cc2ccc(C)cc2)s1 ZINC000517474125 1022356870 /nfs/dbraw/zinc/35/68/70/1022356870.db2.gz VQSJAGSEBXEFCX-CYBMUJFWSA-N -1 0 332.473 3.512 20 0 EHADRM CO[C@H](C)c1nc(=Nc2cccc(N3CCCCCC3)c2)s[n-]1 ZINC000328804403 1022490369 /nfs/dbraw/zinc/49/03/69/1022490369.db2.gz MWEFPFJTGQHLRR-CYBMUJFWSA-N -1 0 332.473 3.791 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655578518 1022492610 /nfs/dbraw/zinc/49/26/10/1022492610.db2.gz BIVPWSBSAGBANY-KJWYOANISA-N -1 0 345.483 3.994 20 0 EHADRM Cc1c2ccccc2oc1C(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)ccc1C ZINC000550117569 1022494470 /nfs/dbraw/zinc/49/44/70/1022494470.db2.gz HTDYPMQSGUDBDO-UHFFFAOYSA-N -1 0 348.362 3.793 20 0 EHADRM C[C@H](c1ccccc1F)N(C)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000330639713 1022625517 /nfs/dbraw/zinc/62/55/17/1022625517.db2.gz PKZADSYCFZHAQV-SNVBAGLBSA-N -1 0 336.436 3.622 20 0 EHADRM CCc1cccc(C(=O)N(C)[C@@H](c2ncc[nH]2)c2ccccc2)c1O ZINC000517768471 1022649545 /nfs/dbraw/zinc/64/95/45/1022649545.db2.gz JXWZPZLNSXRXEQ-QGZVFWFLSA-N -1 0 335.407 3.539 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)CC3CCCC3)n2)cc1 ZINC000303949004 1022668173 /nfs/dbraw/zinc/66/81/73/1022668173.db2.gz YRIVAMQMTAYUIL-UHFFFAOYSA-N -1 0 341.455 3.964 20 0 EHADRM CC(C)c1scnc1[N-]S(=O)(=O)Cc1cccc(Cl)c1 ZINC000655581759 1022688006 /nfs/dbraw/zinc/68/80/06/1022688006.db2.gz ODXXVVWSPHXEBU-UHFFFAOYSA-N -1 0 330.862 3.862 20 0 EHADRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(C)ccc2Cl)c1C ZINC000331099487 1022740885 /nfs/dbraw/zinc/74/08/85/1022740885.db2.gz NXKUWYDURWVLTQ-LLVKDONJSA-N -1 0 341.864 3.925 20 0 EHADRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(Cl)ccc2C)c1C ZINC000331116412 1022746985 /nfs/dbraw/zinc/74/69/85/1022746985.db2.gz VRTQIMGGUMMZBR-LLVKDONJSA-N -1 0 341.864 3.925 20 0 EHADRM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cnn(-c2ccccc2)c1 ZINC000341651554 1022813402 /nfs/dbraw/zinc/81/34/02/1022813402.db2.gz BEPOBFJQPPSQAS-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM CC(F)(F)c1cccc([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000188555010 1022827440 /nfs/dbraw/zinc/82/74/40/1022827440.db2.gz LOJNRROLJDCKRH-UHFFFAOYSA-N -1 0 333.306 3.877 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)N([C@H](C)C2CC2)C2CC2)s[n-]1 ZINC000473821441 1022865867 /nfs/dbraw/zinc/86/58/67/1022865867.db2.gz XUOSRTCKXXTUPY-SNVBAGLBSA-N -1 0 348.497 3.792 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000112266028 1022913332 /nfs/dbraw/zinc/91/33/32/1022913332.db2.gz XVAGYXHKIFJVDD-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM CCc1ccc(O)c(C(=O)Nc2cn(CC(C)C)nc2C(F)F)c1 ZINC000535654386 1022914047 /nfs/dbraw/zinc/91/40/47/1022914047.db2.gz FDRBRRWXYFKEIK-UHFFFAOYSA-N -1 0 337.370 3.997 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2c(C)cccc2C)c1 ZINC000112266106 1022914434 /nfs/dbraw/zinc/91/44/34/1022914434.db2.gz YNJOFWWFEMWOHH-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM CCc1oc2ccccc2c1CNCc1nc(C)c(C(=O)[O-])s1 ZINC000426681378 1022955609 /nfs/dbraw/zinc/95/56/09/1022955609.db2.gz AIGIYFRTJPFTIW-UHFFFAOYSA-N -1 0 330.409 3.748 20 0 EHADRM CCOCc1ccc([N-]S(=O)(=O)c2ccc(C)cc2Cl)cc1 ZINC000438726440 1022956574 /nfs/dbraw/zinc/95/65/74/1022956574.db2.gz UKMBNHNWZROCNC-UHFFFAOYSA-N -1 0 339.844 3.986 20 0 EHADRM O=S(=O)([N-]c1cc(F)c(F)c(F)c1)c1ccc(Cl)cc1F ZINC000607331729 1033089517 /nfs/dbraw/zinc/08/95/17/1033089517.db2.gz VWQXWVRYUHJIJZ-UHFFFAOYSA-N -1 0 339.697 3.697 20 0 EHADRM Cc1nc(CNCc2c(Cl)cccc2Cl)sc1C(=O)[O-] ZINC000426676882 1022964008 /nfs/dbraw/zinc/96/40/08/1022964008.db2.gz HLKBNXNALNOXPJ-UHFFFAOYSA-N -1 0 331.224 3.746 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(C)c2O)c(C)s1 ZINC000438773305 1022985242 /nfs/dbraw/zinc/98/52/42/1022985242.db2.gz OYQGGGSUJQJJSA-UHFFFAOYSA-N -1 0 331.846 3.833 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(F)cc1OC(F)F ZINC000438772289 1022985969 /nfs/dbraw/zinc/98/59/69/1022985969.db2.gz NDATXYREDHBMNT-UHFFFAOYSA-N -1 0 349.305 3.675 20 0 EHADRM Cc1nc(CNCc2cc(Cl)cc(Cl)c2)sc1C(=O)[O-] ZINC000426709385 1022996584 /nfs/dbraw/zinc/99/65/84/1022996584.db2.gz CNUYBNHBFZELGV-UHFFFAOYSA-N -1 0 331.224 3.746 20 0 EHADRM CC(C)(C)Nc1ccccc1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000343799759 1033094415 /nfs/dbraw/zinc/09/44/15/1033094415.db2.gz UUHUHWVKIUUCCL-UHFFFAOYSA-N -1 0 335.407 3.991 20 0 EHADRM CC(C)(C)c1nc(CN[C@H](C(=O)[O-])c2c(F)cccc2F)cs1 ZINC000426757724 1023029756 /nfs/dbraw/zinc/02/97/56/1023029756.db2.gz QCUVTDRUMSBOJV-ZDUSSCGKSA-N -1 0 340.395 3.634 20 0 EHADRM O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)[C@H]1CC[C@H](C2CCC2)CC1 ZINC000614561448 1023031436 /nfs/dbraw/zinc/03/14/36/1023031436.db2.gz NCKRDKPQIBPROC-HDJSIYSDSA-N -1 0 340.427 3.722 20 0 EHADRM Cc1ccc([C@H]2OCCC[C@H]2N=c2[n-]nc(C(F)(F)F)s2)cc1 ZINC000509543763 1023035664 /nfs/dbraw/zinc/03/56/64/1023035664.db2.gz UQJGEIGOJLWHQM-VXGBXAGGSA-N -1 0 343.374 3.619 20 0 EHADRM O=S(=O)([N-]c1cccc2[nH]ccc21)c1c(F)c(F)cc(F)c1F ZINC000430975601 1023042563 /nfs/dbraw/zinc/04/25/63/1023042563.db2.gz BBMDWYBZIRRGQT-UHFFFAOYSA-N -1 0 344.289 3.525 20 0 EHADRM O=C([O-])C[C@H](NCc1ccsc1Cl)c1ccc(F)cc1F ZINC000426785744 1023042745 /nfs/dbraw/zinc/04/27/45/1023042745.db2.gz RADYPEKPELDALL-LBPRGKRZSA-N -1 0 331.771 3.985 20 0 EHADRM O=C([O-])[C@H](NCc1ncc(-c2ccccc2)s1)c1ccsc1 ZINC000426795880 1023051217 /nfs/dbraw/zinc/05/12/17/1023051217.db2.gz ZJKUARNADIEBQK-OAHLLOKOSA-N -1 0 330.434 3.787 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NCc2csc(Br)c2)o1 ZINC000426794364 1023052712 /nfs/dbraw/zinc/05/27/12/1023052712.db2.gz UGPKHPKRWHVALA-SNVBAGLBSA-N -1 0 344.230 3.718 20 0 EHADRM CCC[C@H](N=c1nc([C@@H](C)OC)[n-]s1)c1ccc(F)cc1F ZINC000509582739 1023089475 /nfs/dbraw/zinc/08/94/75/1023089475.db2.gz IJSXPZATKMIIQC-RNCFNFMXSA-N -1 0 327.400 3.899 20 0 EHADRM CC[C@@H](CN=c1nc([C@H](C)OC)[n-]s1)Oc1cccc(Cl)c1 ZINC000509585677 1023091937 /nfs/dbraw/zinc/09/19/37/1023091937.db2.gz KMXIOIDZWURDBH-JQWIXIFHSA-N -1 0 341.864 3.590 20 0 EHADRM CC[C@@H](CN=c1nc([C@@H](C)OC)[n-]s1)Oc1cccc(Cl)c1 ZINC000509585680 1023091951 /nfs/dbraw/zinc/09/19/51/1023091951.db2.gz KMXIOIDZWURDBH-PWSUYJOCSA-N -1 0 341.864 3.590 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)CCCO2)c1ccc(Cl)cc1F ZINC000509595577 1023097111 /nfs/dbraw/zinc/09/71/11/1023097111.db2.gz HUDRXALZWBSKFU-UHFFFAOYSA-N -1 0 341.791 3.605 20 0 EHADRM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C1CCCC1 ZINC001211845978 1023105007 /nfs/dbraw/zinc/10/50/07/1023105007.db2.gz GKDDUUPMLXOFDJ-GFCCVEGCSA-N -1 0 337.819 3.865 20 0 EHADRM FC(F)(F)c1ccccc1[C@@H]1C[C@H]1N=c1nc(C2CC2)[n-]s1 ZINC000426904693 1023106983 /nfs/dbraw/zinc/10/69/83/1023106983.db2.gz JFSGNWRHSVMTAN-CMPLNLGQSA-N -1 0 325.359 3.824 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cccc2cc[nH]c21)c1ccc(Cl)cc1 ZINC000346018060 1023140507 /nfs/dbraw/zinc/14/05/07/1023140507.db2.gz TTXABVSQLAITPI-OAHLLOKOSA-N -1 0 342.782 3.767 20 0 EHADRM CCC(CC)c1n[n-]c(=NCc2ccccc2-c2ccnn2C)s1 ZINC000431033490 1023157257 /nfs/dbraw/zinc/15/72/57/1023157257.db2.gz IFHITSSVJOMJKS-UHFFFAOYSA-N -1 0 341.484 3.876 20 0 EHADRM O=C([O-])c1cc(/C=C\c2cc(Br)ccc2Cl)ncn1 ZINC000536391597 1023186444 /nfs/dbraw/zinc/18/64/44/1023186444.db2.gz SFTFHPADKPNQOW-IWQZZHSRSA-N -1 0 339.576 3.761 20 0 EHADRM O=C([O-])C[C@H]1CCCN1c1ncnc2scc(-c3ccccc3)c21 ZINC000392080340 1023203290 /nfs/dbraw/zinc/20/32/90/1023203290.db2.gz LGDFNYIBVMOBQJ-CYBMUJFWSA-N -1 0 339.420 3.802 20 0 EHADRM Cc1cnc(C(=O)Nc2cccc(OCC(F)(F)F)c2C)c([O-])c1 ZINC000427126128 1023234931 /nfs/dbraw/zinc/23/49/31/1023234931.db2.gz KWIQVVPPKPTWGC-UHFFFAOYSA-N -1 0 340.301 3.597 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000614570493 1023277054 /nfs/dbraw/zinc/27/70/54/1023277054.db2.gz GXUFHUYLUUXKOW-AEGPPILISA-N -1 0 327.380 3.585 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)s1 ZINC000431148380 1023333224 /nfs/dbraw/zinc/33/32/24/1023333224.db2.gz XMPBOWQOPILKAV-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2sc(C)cc2C)cc1OC ZINC000431148543 1023339482 /nfs/dbraw/zinc/33/94/82/1023339482.db2.gz YFMPQGCYYUGWSP-UHFFFAOYSA-N -1 0 341.454 3.573 20 0 EHADRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1sc(C)cc1C ZINC000431159786 1023357467 /nfs/dbraw/zinc/35/74/67/1023357467.db2.gz RBGOWBXWANSITH-UHFFFAOYSA-N -1 0 343.495 3.896 20 0 EHADRM CC(C)c1nc(/C=C/c2ccccc2-c2ccnn2C)ncc1C(=O)[O-] ZINC000431163823 1023367682 /nfs/dbraw/zinc/36/76/82/1023367682.db2.gz ZGQMSXAIIGUGCW-CMDGGOBGSA-N -1 0 348.406 3.869 20 0 EHADRM Cn1ccnc1[C@@H](N=c1nc(C2CCCC2)[n-]s1)c1ccccc1 ZINC000581996191 1023460109 /nfs/dbraw/zinc/46/01/09/1023460109.db2.gz BEMVQZWEXKYKHO-HNNXBMFYSA-N -1 0 339.468 3.553 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)Nc1ncc(C)s1 ZINC000582003223 1023497942 /nfs/dbraw/zinc/49/79/42/1023497942.db2.gz BCKSVUFDTSVYGS-ZDUSSCGKSA-N -1 0 333.413 3.521 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)c2ccc3c4c(cccc42)CC3)cc1 ZINC000431216127 1023529576 /nfs/dbraw/zinc/52/95/76/1023529576.db2.gz LUHIVTYSQLDTHB-UHFFFAOYSA-N -1 0 345.398 3.609 20 0 EHADRM CSc1ccc(NC(=O)c2n[n-]c3ccccc3c2=O)cc1Cl ZINC000176871801 1033144989 /nfs/dbraw/zinc/14/49/89/1033144989.db2.gz RGLLZZZNNLJPBI-UHFFFAOYSA-N -1 0 345.811 3.551 20 0 EHADRM C/C=C/c1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1 ZINC000518744741 1023572408 /nfs/dbraw/zinc/57/24/08/1023572408.db2.gz ICYJFIJFQNGMBR-HWKANZROSA-N -1 0 331.393 3.527 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cn2)c(F)c1 ZINC000598371310 1033163818 /nfs/dbraw/zinc/16/38/18/1033163818.db2.gz GAHYQMDFYSSFSV-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM COc1cc(NC(=O)c2cccn2C2CCCC2)ccc1C(=O)[O-] ZINC000455864325 1033176744 /nfs/dbraw/zinc/17/67/44/1033176744.db2.gz QOZHKKZHQPDKOT-UHFFFAOYSA-N -1 0 328.368 3.562 20 0 EHADRM F[C@@H](CSc1n[n-]c(=NCc2ccccc2)s1)C(F)(F)F ZINC000443477204 1024023328 /nfs/dbraw/zinc/02/33/28/1024023328.db2.gz PXUYSQMGZQGMBS-VIFPVBQESA-N -1 0 337.367 3.565 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000236608063 1024041446 /nfs/dbraw/zinc/04/14/46/1024041446.db2.gz XOLDMZZZTKSUAG-BVIHXZOGSA-N -1 0 349.814 3.589 20 0 EHADRM Cc1nc([C@H](C)NC(=O)c2ccc(C(F)F)cc2)sc1C(=O)[O-] ZINC000909508282 1024044293 /nfs/dbraw/zinc/04/42/93/1024044293.db2.gz RZFMBMZPFNXWSJ-QMMMGPOBSA-N -1 0 340.351 3.578 20 0 EHADRM CSCc1cnc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)s1 ZINC000417563343 1024058694 /nfs/dbraw/zinc/05/86/94/1024058694.db2.gz NKRUTAIRKWRLBJ-ZDUSSCGKSA-N -1 0 342.873 3.575 20 0 EHADRM O=C([O-])C1(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CCCC1 ZINC000657200845 1024063128 /nfs/dbraw/zinc/06/31/28/1024063128.db2.gz IGJKKVFECHIXOT-UHFFFAOYSA-N -1 0 330.405 3.525 20 0 EHADRM O=C([O-])c1[nH]c2ccccc2c1-c1cccc(CO[C@@H]2CCOC2)c1 ZINC000657203578 1024082840 /nfs/dbraw/zinc/08/28/40/1024082840.db2.gz HOTHWIDWJXBXFX-OAHLLOKOSA-N -1 0 337.375 3.839 20 0 EHADRM O=C([O-])Cc1c(Cl)cccc1-c1cccc(CO[C@H]2CCOC2)c1 ZINC000657203779 1024083245 /nfs/dbraw/zinc/08/32/45/1024083245.db2.gz YSNXBZXBHUBZLG-HNNXBMFYSA-N -1 0 346.810 3.940 20 0 EHADRM Cc1c(C(=O)[O-])cncc1-c1ccc(OC[C@H]2CCCCO2)cc1 ZINC000657204170 1024085136 /nfs/dbraw/zinc/08/51/36/1024085136.db2.gz YCDDYYZHSQYKEO-MRXNPFEDSA-N -1 0 327.380 3.703 20 0 EHADRM COCCOCc1cccc(-c2ccc(OC(C)(C)C(=O)[O-])cc2)c1 ZINC000657203451 1024085314 /nfs/dbraw/zinc/08/53/14/1024085314.db2.gz ZIFDEAQKEBCRDM-UHFFFAOYSA-N -1 0 344.407 3.759 20 0 EHADRM O=c1nc(CN2CCC(F)(c3ccccc3)CC2)[n-]c2ccsc21 ZINC000434496224 1024097702 /nfs/dbraw/zinc/09/77/02/1024097702.db2.gz GRSDECWUQZOTJN-UHFFFAOYSA-N -1 0 343.427 3.858 20 0 EHADRM Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cc(F)ccc1O ZINC000093909822 1024100358 /nfs/dbraw/zinc/10/03/58/1024100358.db2.gz CXGHJSXQKREJPW-UHFFFAOYSA-N -1 0 325.343 3.586 20 0 EHADRM CC(C)(C)c1ccc([N-]S(=O)(=O)c2cncc(Cl)c2)c(O)c1 ZINC000443533776 1024111114 /nfs/dbraw/zinc/11/11/14/1024111114.db2.gz WXYKHEDCUFJJTL-UHFFFAOYSA-N -1 0 340.832 3.539 20 0 EHADRM CCCn1nc(C)c(-c2ccc(-c3cc(C(=O)[O-])on3)cc2)c1C ZINC000657205580 1024111872 /nfs/dbraw/zinc/11/18/72/1024111872.db2.gz RFUYXXOUHZHLGF-UHFFFAOYSA-N -1 0 325.368 3.930 20 0 EHADRM CN(CCCCc1ccccc1)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000522617305 1024121091 /nfs/dbraw/zinc/12/10/91/1024121091.db2.gz VNBNIQNGCBBUFO-UHFFFAOYSA-N -1 0 346.500 3.744 20 0 EHADRM COc1cc(-c2ccccc2O[C@H](C)C(=O)[O-])cnc1C(F)(F)F ZINC000657206628 1024128639 /nfs/dbraw/zinc/12/86/39/1024128639.db2.gz JENXMAHAOPZMLH-SECBINFHSA-N -1 0 341.285 3.628 20 0 EHADRM Cc1ccc(-c2ccc(C)c(NC(=O)c3ccc(C(=O)[O-])nc3)c2)o1 ZINC000684641889 1024144476 /nfs/dbraw/zinc/14/44/76/1024144476.db2.gz WRCSGRWIJCVIEJ-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM C[C@@H]1C[C@@H]1[C@@H](NC(=O)NCc1ncccc1O)c1ccc(Cl)cc1 ZINC000472001330 1024175775 /nfs/dbraw/zinc/17/57/75/1024175775.db2.gz HFKQZLNUNZWSTF-WHCBVINPSA-N -1 0 345.830 3.637 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@@H](C)CC(C)(C)c2ccccc2)s1 ZINC000520604498 1024212732 /nfs/dbraw/zinc/21/27/32/1024212732.db2.gz HTEALFVWROZZAM-ZDUSSCGKSA-N -1 0 346.500 3.790 20 0 EHADRM Cc1ccc(SC2(C(=O)NC[C@H](C)CC(=O)[O-])CCCC2)cc1 ZINC000262116629 1024268943 /nfs/dbraw/zinc/26/89/43/1024268943.db2.gz FUHMNLJALRGGLU-CQSZACIVSA-N -1 0 335.469 3.627 20 0 EHADRM C[C@@H](NC(=O)CC1(C(=O)[O-])CCCC1)c1cccc(OC(F)F)c1 ZINC000324173098 1024274336 /nfs/dbraw/zinc/27/43/36/1024274336.db2.gz GFQFBPXIDKOBHX-LLVKDONJSA-N -1 0 341.354 3.500 20 0 EHADRM CCC[C@@H](C)CS(=O)(=O)Nc1c(C)ccc(Cl)c1C(=O)[O-] ZINC000548529518 1024283541 /nfs/dbraw/zinc/28/35/41/1024283541.db2.gz GADKAZZUTBCORV-SECBINFHSA-N -1 0 333.837 3.525 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc2c(s1)CCCCC2 ZINC000324187580 1024292408 /nfs/dbraw/zinc/29/24/08/1024292408.db2.gz QVHCETXXGCWHCV-SNPRPXQTSA-N -1 0 347.480 3.875 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@H]1CCOC2(CCCC2)C1 ZINC000909515871 1024302984 /nfs/dbraw/zinc/30/29/84/1024302984.db2.gz JEIDDALYEQHGEM-AWEZNQCLSA-N -1 0 331.412 3.680 20 0 EHADRM CO[C@@](C)(C(=O)Nc1cc(F)cc(Cl)c1[O-])c1ccccc1F ZINC000430076619 1024337134 /nfs/dbraw/zinc/33/71/34/1024337134.db2.gz NFTXTPRVTKAYQH-MRXNPFEDSA-N -1 0 341.741 3.824 20 0 EHADRM CCSc1cccc(CN=c2[n-]nc(CC(F)(F)F)s2)c1 ZINC000475046984 1024342297 /nfs/dbraw/zinc/34/22/97/1024342297.db2.gz NQQIIAQNVAZGOQ-UHFFFAOYSA-N -1 0 333.404 3.789 20 0 EHADRM O=C([O-])C1(CNC(=O)c2occc2-c2ccc(F)cc2)CCCCC1 ZINC000191509001 1024373181 /nfs/dbraw/zinc/37/31/81/1024373181.db2.gz ZZDNNFHEEUVERM-UHFFFAOYSA-N -1 0 345.370 3.851 20 0 EHADRM O=C(NCCOC1CCCCCC1)c1cc(F)c([O-])c(Cl)c1 ZINC000184421477 1024416260 /nfs/dbraw/zinc/41/62/60/1024416260.db2.gz STOSCORWNMGCIN-UHFFFAOYSA-N -1 0 329.799 3.654 20 0 EHADRM O=C(N[C@@H](C1CC1)C(F)(F)F)c1cc(Cl)cc(Cl)c1[O-] ZINC001141789157 1024417652 /nfs/dbraw/zinc/41/76/52/1024417652.db2.gz UFPOVQFNUPXIGX-JTQLQIEISA-N -1 0 328.117 3.770 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000194459073 1024422136 /nfs/dbraw/zinc/42/21/36/1024422136.db2.gz CFYLHSJSDFEYMT-UONOGXRCSA-N -1 0 333.453 3.728 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2nnc(CC3CCCCC3)o2)c1 ZINC000194895918 1024464267 /nfs/dbraw/zinc/46/42/67/1024464267.db2.gz KPBPXJNFIDVXEV-UHFFFAOYSA-N -1 0 349.456 3.556 20 0 EHADRM COc1cc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)c(C)cc1C ZINC000280956954 1024488775 /nfs/dbraw/zinc/48/87/75/1024488775.db2.gz KERAXEVMMOSHLP-FQEVSTJZSA-N -1 0 341.407 3.683 20 0 EHADRM O=C(CCc1ccco1)Nc1cc(Br)cc(Cl)c1[O-] ZINC000536458098 1024490741 /nfs/dbraw/zinc/49/07/41/1024490741.db2.gz DKGXDHUBKRTIHY-UHFFFAOYSA-N -1 0 344.592 3.972 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)[C@@H]2CCC[C@@H](F)C2)c1 ZINC000425245293 1024504482 /nfs/dbraw/zinc/50/44/82/1024504482.db2.gz ULRANMULNXAKLE-ZIAGYGMSSA-N -1 0 339.432 3.861 20 0 EHADRM Cc1ccc(Br)cc1NC(=O)C(C)(C)CCC(=O)[O-] ZINC000634817655 1024544211 /nfs/dbraw/zinc/54/42/11/1024544211.db2.gz JMICTVLWYPEJHJ-UHFFFAOYSA-N -1 0 328.206 3.587 20 0 EHADRM CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(C(=O)[O-])cc1Cl ZINC000342256602 1024591163 /nfs/dbraw/zinc/59/11/63/1024591163.db2.gz PAVZLNCRHMSBFS-HNNXBMFYSA-N -1 0 330.771 3.625 20 0 EHADRM CCCCn1ncc([N-]S(=O)(=O)c2cccc(C(F)F)c2)c1C ZINC000780394859 1024616029 /nfs/dbraw/zinc/61/60/29/1024616029.db2.gz LJOPXGUHMGHWRL-UHFFFAOYSA-N -1 0 343.399 3.730 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1cccn1C1CCCC1)c1ccccc1 ZINC000190851758 1024662086 /nfs/dbraw/zinc/66/20/86/1024662086.db2.gz NHEIAINLGANHCR-KSSFIOAISA-N -1 0 340.423 3.795 20 0 EHADRM O=S(=O)([N-]c1noc2ccc(Cl)cc21)c1cccc(Cl)c1 ZINC000427647600 1024671782 /nfs/dbraw/zinc/67/17/82/1024671782.db2.gz MFYDSLZFEPWOGF-UHFFFAOYSA-N -1 0 343.191 3.935 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2noc3ccc(Cl)cc32)c(C)c1 ZINC000427651809 1024693075 /nfs/dbraw/zinc/69/30/75/1024693075.db2.gz BEPLXLFWKLUSEQ-UHFFFAOYSA-N -1 0 336.800 3.899 20 0 EHADRM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000032098437 1024712162 /nfs/dbraw/zinc/71/21/62/1024712162.db2.gz PWVBAMIIEAYBLP-UHFFFAOYSA-N -1 0 329.343 3.857 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2ccccc2OCC(F)F)c1 ZINC000474389317 1024869094 /nfs/dbraw/zinc/86/90/94/1024869094.db2.gz HNBFRLSKHMHAIS-UHFFFAOYSA-N -1 0 341.379 3.694 20 0 EHADRM C[C@H](NC(=O)N1CCCCC[C@@H]1C(=O)[O-])c1cc2ccccc2o1 ZINC000684713293 1024884862 /nfs/dbraw/zinc/88/48/62/1024884862.db2.gz FHMSNQSFNBRYLK-GXTWGEPZSA-N -1 0 330.384 3.533 20 0 EHADRM C[C@@H](NC(=O)N(C)C1(C(=O)[O-])CCCCC1)c1cc2ccccc2o1 ZINC000684714414 1024905971 /nfs/dbraw/zinc/90/59/71/1024905971.db2.gz KNSVVNNAHGGZRQ-CYBMUJFWSA-N -1 0 344.411 3.923 20 0 EHADRM O=C([N-][C@@H]1CCSc2ccc(Cl)cc21)C(F)(F)C(F)F ZINC000226600307 1033245362 /nfs/dbraw/zinc/24/53/62/1033245362.db2.gz UASMNQREZPFOBO-MRVPVSSYSA-N -1 0 327.730 3.894 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)[nH]n2)c(C)c1 ZINC000474426299 1024948333 /nfs/dbraw/zinc/94/83/33/1024948333.db2.gz MXRIDCFLTXYHFT-UHFFFAOYSA-N -1 0 349.456 3.575 20 0 EHADRM Cc1cc(Nc2nccnc2OCc2ccccc2)cc(C(=O)[O-])c1 ZINC001211537697 1024958622 /nfs/dbraw/zinc/95/86/22/1024958622.db2.gz WPHYZJPFFXXFBH-UHFFFAOYSA-N -1 0 335.363 3.806 20 0 EHADRM CN(CCC(=O)[O-])C(=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000428073327 1024971629 /nfs/dbraw/zinc/97/16/29/1024971629.db2.gz KYLGZWFTLSVKIP-UHFFFAOYSA-N -1 0 333.771 3.679 20 0 EHADRM COc1ccc2c(c1)C=C(C(=O)Nc1cc(F)cc(Cl)c1[O-])CO2 ZINC000474448637 1024984479 /nfs/dbraw/zinc/98/44/79/1024984479.db2.gz TURQULMLHBDBNL-UHFFFAOYSA-N -1 0 349.745 3.608 20 0 EHADRM O=C(Nc1ccc(F)c(F)c1[O-])[C@@H](c1ccncc1)C1CCCC1 ZINC000897945826 1033254762 /nfs/dbraw/zinc/25/47/62/1033254762.db2.gz GEGBXQQHEVTIJM-OAHLLOKOSA-N -1 0 332.350 3.978 20 0 EHADRM CCc1ccnc(CN=c2[n-]nc(Cc3ccc(Cl)cc3)s2)c1 ZINC000435602520 1025028495 /nfs/dbraw/zinc/02/84/95/1025028495.db2.gz VNUAPOFJDJCJTN-UHFFFAOYSA-N -1 0 344.871 3.774 20 0 EHADRM CCOc1ccc(NC(=O)N(CC(=O)[O-])C2CCCC2)cc1Cl ZINC000582040654 1025074583 /nfs/dbraw/zinc/07/45/83/1025074583.db2.gz JYXJHXZCYVNOLN-UHFFFAOYSA-N -1 0 340.807 3.600 20 0 EHADRM O=C(C[C@H]1CCc2sccc2C1=O)Nc1ccc(F)c(F)c1[O-] ZINC000897946162 1033257119 /nfs/dbraw/zinc/25/71/19/1033257119.db2.gz MWUNQLJCMUDKRE-MRVPVSSYSA-N -1 0 337.347 3.506 20 0 EHADRM COc1ccc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)cc1Cl ZINC000013249346 1025086360 /nfs/dbraw/zinc/08/63/60/1025086360.db2.gz NIJUFBMQUWSBGQ-GOSISDBHSA-N -1 0 347.798 3.720 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)CCc2ccccc2C(=O)[O-])c1 ZINC000262156012 1025093433 /nfs/dbraw/zinc/09/34/33/1025093433.db2.gz KAKQWSMQLDSFRN-CYBMUJFWSA-N -1 0 327.380 3.664 20 0 EHADRM CC1(C)CN(Cc2c([O-])nnn2-c2ccccc2)[C@@H]1c1cccs1 ZINC000515247529 1025110413 /nfs/dbraw/zinc/11/04/13/1025110413.db2.gz LJBMCPGGLCTJGN-MRXNPFEDSA-N -1 0 340.452 3.618 20 0 EHADRM Cc1c2ccccc2oc1CNC(=O)N(CC(=O)[O-])C1CCCCC1 ZINC000684735253 1025113426 /nfs/dbraw/zinc/11/34/26/1025113426.db2.gz JTVNRSXTSRMJBR-UHFFFAOYSA-N -1 0 344.411 3.670 20 0 EHADRM CCCc1nc(=NC(=O)C[C@H](C)c2c[nH]c3ccccc32)s[n-]1 ZINC000342381859 1025121970 /nfs/dbraw/zinc/12/19/70/1025121970.db2.gz VJWNBMJEDOQTRC-NSHDSACASA-N -1 0 328.441 3.526 20 0 EHADRM CO[C@@H](C)c1nc(=NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)s[n-]1 ZINC000511061150 1025125278 /nfs/dbraw/zinc/12/52/78/1025125278.db2.gz BYDIWDAMXVRDGW-STQMWFEESA-N -1 0 347.484 3.608 20 0 EHADRM c1ccc(COC[C@@H](N=c2[n-]nc(C3CC3)o2)c2ccccc2)cc1 ZINC000342384534 1025127302 /nfs/dbraw/zinc/12/73/02/1025127302.db2.gz RWBNHYBDTIBDJH-GOSISDBHSA-N -1 0 335.407 3.739 20 0 EHADRM CCCN(C(=O)N[C@@H]1c2cc(C)ccc2C[C@H]1C)[C@@H](CC)C(=O)[O-] ZINC000684739897 1025149559 /nfs/dbraw/zinc/14/95/59/1025149559.db2.gz GIAJUFXZGNTRNE-COXVUDFISA-N -1 0 332.444 3.513 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2cnco2)cc1)c1ccc(Cl)s1 ZINC000119776677 1025185449 /nfs/dbraw/zinc/18/54/49/1025185449.db2.gz YXZMSFOJUCZJRK-UHFFFAOYSA-N -1 0 340.813 3.857 20 0 EHADRM CCc1cccc(CC)c1N=c1[n-]nc(Sc2cccnn2)s1 ZINC000582079554 1025188717 /nfs/dbraw/zinc/18/87/17/1025188717.db2.gz MPYDQXPMOJELLC-UHFFFAOYSA-N -1 0 343.481 3.770 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)Cc2ccc(SC3CC3)cc2)C1 ZINC000909479174 1025280908 /nfs/dbraw/zinc/28/09/08/1025280908.db2.gz PTPDZMDHJBDYFP-OAHLLOKOSA-N -1 0 347.480 3.587 20 0 EHADRM CC[C@H](NC(=O)N1CC[C@H](C)C[C@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000515547898 1025340445 /nfs/dbraw/zinc/34/04/45/1025340445.db2.gz VARQBRUCFNEECB-CQDKDKBSSA-N -1 0 338.835 3.686 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1F ZINC000436053677 1025355040 /nfs/dbraw/zinc/35/50/40/1025355040.db2.gz FYXPELZSIZBAPA-UHFFFAOYSA-N -1 0 337.269 3.784 20 0 EHADRM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)N=c2[n-]nc(/C=C/c3ccco3)s2)C1 ZINC000474744414 1025412071 /nfs/dbraw/zinc/41/20/71/1025412071.db2.gz GXTXWTZRICNVTO-SFTURWCGSA-N -1 0 346.456 3.622 20 0 EHADRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000515635419 1025426796 /nfs/dbraw/zinc/42/67/96/1025426796.db2.gz WWJXNBSSOQMZLH-UHFFFAOYSA-N -1 0 345.342 3.612 20 0 EHADRM CCc1cccc(N(C)C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])c1 ZINC001141893269 1025467000 /nfs/dbraw/zinc/46/70/00/1025467000.db2.gz FTFNJLLAQFMCGS-UHFFFAOYSA-N -1 0 339.370 3.556 20 0 EHADRM CCC(CC)(NC(=O)Nc1ccc(Br)c(C)c1)C(=O)[O-] ZINC000094241454 1025483013 /nfs/dbraw/zinc/48/30/13/1025483013.db2.gz RXTNULXTEFJPBV-UHFFFAOYSA-N -1 0 343.221 3.522 20 0 EHADRM COc1c(C)cc(S(=O)(=O)[N-]c2scnc2C(C)C)cc1C ZINC000451106265 1025539801 /nfs/dbraw/zinc/53/98/01/1025539801.db2.gz XUOMVICSJNOPIZ-UHFFFAOYSA-N -1 0 340.470 3.693 20 0 EHADRM COCc1ccccc1S(=O)(=O)[N-]c1ccc(CCC(C)C)cn1 ZINC000451105323 1025568707 /nfs/dbraw/zinc/56/87/07/1025568707.db2.gz MCPDBNXTVNPWIY-UHFFFAOYSA-N -1 0 348.468 3.617 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cccc3ccoc32)cc1C ZINC000515773142 1025582171 /nfs/dbraw/zinc/58/21/71/1025582171.db2.gz HEKKBTSQLJQVHK-LLVKDONJSA-N -1 0 333.413 3.710 20 0 EHADRM CC(C)[C@@H](NC(=O)N=c1[n-]nc(C(C)(C)C)s1)c1ccccc1 ZINC000515800087 1025625953 /nfs/dbraw/zinc/62/59/53/1025625953.db2.gz MKGBMJFIHSVUNH-CYBMUJFWSA-N -1 0 332.473 3.776 20 0 EHADRM CN=c1[n-]nc(SCCCOc2cccc3ccccc32)s1 ZINC000515849897 1025675811 /nfs/dbraw/zinc/67/58/11/1025675811.db2.gz HQICZEQDMIKNNK-UHFFFAOYSA-N -1 0 331.466 3.716 20 0 EHADRM O=C([O-])c1cc(C(=O)N2CCCCC[C@@H]2/C=C\c2cccs2)no1 ZINC000909559826 1025723384 /nfs/dbraw/zinc/72/33/84/1025723384.db2.gz LGJAACZUHIOMSU-QDZRJHCZSA-N -1 0 346.408 3.533 20 0 EHADRM CCCC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000347253370 1025732108 /nfs/dbraw/zinc/73/21/08/1025732108.db2.gz AUNHDIWMRNMHEB-RDBSUJKOSA-N -1 0 343.345 3.569 20 0 EHADRM CCCC[C@@H](NC(=O)C1(c2ccc(C)c(OC)c2)CCCC1)C(=O)[O-] ZINC000347257623 1025749769 /nfs/dbraw/zinc/74/97/69/1025749769.db2.gz IGAUZJNVALSKLS-MRXNPFEDSA-N -1 0 347.455 3.575 20 0 EHADRM CCCC[C@H](NC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1)C(=O)[O-] ZINC000347258908 1025752015 /nfs/dbraw/zinc/75/20/15/1025752015.db2.gz JMOQBFSZAOIAFW-UGSOOPFHSA-N -1 0 343.423 3.712 20 0 EHADRM CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2cc(F)c([O-])c(F)c2)C1(C)C ZINC000436521740 1025821660 /nfs/dbraw/zinc/82/16/60/1025821660.db2.gz HAAUMPYDMWMNTN-HUUCEWRRSA-N -1 0 341.398 3.726 20 0 EHADRM CCCOc1cc(C)ccc1CNC(=O)c1cc(F)c([O-])c(F)c1 ZINC000436527648 1025832205 /nfs/dbraw/zinc/83/22/05/1025832205.db2.gz UPUSMVGQHGCMNH-UHFFFAOYSA-N -1 0 335.350 3.698 20 0 EHADRM O=C(NCCc1cccc(Cl)c1Cl)c1cc(F)c([O-])c(F)c1 ZINC000436531803 1025838111 /nfs/dbraw/zinc/83/81/11/1025838111.db2.gz POVGEPIPUSXIKS-UHFFFAOYSA-N -1 0 346.160 3.950 20 0 EHADRM COCCN(CC(F)F)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436534066 1025844877 /nfs/dbraw/zinc/84/48/77/1025844877.db2.gz KKZIQAZCBKGYGK-UHFFFAOYSA-N -1 0 343.757 3.553 20 0 EHADRM CCc1cnc(CN=c2[n-]nc(C(C)(C)c3ccccc3)s2)s1 ZINC000342492560 1025851724 /nfs/dbraw/zinc/85/17/24/1025851724.db2.gz DPSUPLTUTGRNTG-UHFFFAOYSA-N -1 0 344.509 3.917 20 0 EHADRM O=C(c1c([O-])cccc1F)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000436557815 1025864538 /nfs/dbraw/zinc/86/45/38/1025864538.db2.gz VQCLEAXPTDPXBN-ZMSDIMECSA-N -1 0 325.383 3.940 20 0 EHADRM CC[C@H]1COCCN1C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436544974 1025875653 /nfs/dbraw/zinc/87/56/53/1025875653.db2.gz FFDQEPRGYOCEMV-HNNXBMFYSA-N -1 0 345.826 3.964 20 0 EHADRM CN1CCCN(C(=O)c2ccc(Cl)cc2[O-])c2cc(F)ccc21 ZINC000436560158 1025884759 /nfs/dbraw/zinc/88/47/59/1025884759.db2.gz ACPKDZRIKZPKMM-UHFFFAOYSA-N -1 0 334.778 3.671 20 0 EHADRM O=C(NCCCc1nccs1)c1c([O-])cc(Cl)cc1Cl ZINC000436565663 1025893770 /nfs/dbraw/zinc/89/37/70/1025893770.db2.gz UGPVZYVUPCTKTF-UHFFFAOYSA-N -1 0 331.224 3.518 20 0 EHADRM C[C@@H](NC(=O)c1cc(Cl)c2ccccc2c1[O-])[C@H]1CCCOC1 ZINC000436573707 1025905919 /nfs/dbraw/zinc/90/59/19/1025905919.db2.gz CXOJXSDYYQCBID-NEPJUHHUSA-N -1 0 333.815 3.744 20 0 EHADRM O=C(N[C@H]1CC[C@H](c2ccccc2F)C1)c1cc(F)c([O-])c(F)c1 ZINC000436593144 1025911754 /nfs/dbraw/zinc/91/17/54/1025911754.db2.gz ASQPCXGWKRRUGK-JQWIXIFHSA-N -1 0 335.325 3.876 20 0 EHADRM O=C(N[C@@H]1CCCc2c[nH]nc21)c1cc(Cl)c2ccccc2c1[O-] ZINC000436596869 1025913881 /nfs/dbraw/zinc/91/38/81/1025913881.db2.gz NYUKZJGQNWSDEY-OAHLLOKOSA-N -1 0 341.798 3.729 20 0 EHADRM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000522059418 1025928411 /nfs/dbraw/zinc/92/84/11/1025928411.db2.gz ANIHUXSNQVNXHO-IUODEOHRSA-N -1 0 347.846 3.882 20 0 EHADRM COc1c2ccccc2oc1CNC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436612696 1025945972 /nfs/dbraw/zinc/94/59/72/1025945972.db2.gz YNGVOVJWXFJFAA-UHFFFAOYSA-N -1 0 349.745 3.870 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)c1 ZINC000436652921 1025980480 /nfs/dbraw/zinc/98/04/80/1025980480.db2.gz RHYXJWMXTONRKZ-HRAATJIYSA-N -1 0 335.403 3.828 20 0 EHADRM Cc1cnc([N-]S(=O)(=O)c2csc3ccc(Cl)cc32)o1 ZINC000443381886 1025980858 /nfs/dbraw/zinc/98/08/58/1025980858.db2.gz IDLOMXQQYLBZGK-UHFFFAOYSA-N -1 0 328.802 3.652 20 0 EHADRM O=C(NCc1ccc(OC(F)F)c(F)c1)c1ccc([O-])c(Cl)c1 ZINC000436656606 1025987179 /nfs/dbraw/zinc/98/71/79/1025987179.db2.gz JLBATJJPCWTUDH-UHFFFAOYSA-N -1 0 345.704 3.716 20 0 EHADRM CC[C@@H](CNC(=O)c1ccc([O-])c(Cl)c1)Oc1cccc(F)c1 ZINC000436639197 1025989087 /nfs/dbraw/zinc/98/90/87/1025989087.db2.gz OEMOSWWKLRVUBE-ZDUSSCGKSA-N -1 0 337.778 3.772 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc3cc(Cl)ccn3n2)c1 ZINC000436645413 1025992852 /nfs/dbraw/zinc/99/28/52/1025992852.db2.gz LZSNAATXSFYCHS-UHFFFAOYSA-N -1 0 343.770 3.538 20 0 EHADRM CC1(C)CN(C(=O)c2c([O-])cc(Cl)cc2Cl)CC(C)(C)O1 ZINC000443395188 1025993993 /nfs/dbraw/zinc/99/39/93/1025993993.db2.gz SOTJIXNAFOZQPN-UHFFFAOYSA-N -1 0 332.227 3.729 20 0 EHADRM CC[C@@H](CN=c1[n-]nc(C2CC2)o1)Oc1cccc(C(F)(F)F)c1 ZINC000342512680 1025995461 /nfs/dbraw/zinc/99/54/61/1025995461.db2.gz PHCXMDPQORTUKQ-LBPRGKRZSA-N -1 0 341.333 3.657 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C(C)(C)c2c(C)noc2C)c1 ZINC000436648546 1026000337 /nfs/dbraw/zinc/00/03/37/1026000337.db2.gz MTVBHBMIUZRPOX-UHFFFAOYSA-N -1 0 330.384 3.506 20 0 EHADRM CCc1ccc(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)cc1F ZINC000443416528 1026006869 /nfs/dbraw/zinc/00/68/69/1026006869.db2.gz IPFUUGGZYCNZCY-UHFFFAOYSA-N -1 0 341.382 3.587 20 0 EHADRM CC(C)c1noc(=NCc2ccc(-c3ccc4c(c3)CCO4)cc2)[n-]1 ZINC000522966844 1026009461 /nfs/dbraw/zinc/00/94/61/1026009461.db2.gz ATWBHBXTXQXYMJ-UHFFFAOYSA-N -1 0 335.407 3.829 20 0 EHADRM CC1(S(=O)(=O)[N-][C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)CC1 ZINC000451469829 1026014510 /nfs/dbraw/zinc/01/45/10/1026014510.db2.gz MSSBOXZCBKORMX-SNVBAGLBSA-N -1 0 345.745 3.554 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cc(-c3ccc(F)cc3)on2)c1 ZINC000436675639 1026022117 /nfs/dbraw/zinc/02/21/17/1026022117.db2.gz LULOVSBMABGQDM-UHFFFAOYSA-N -1 0 340.310 3.641 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cnc(-c3ccccc3)nc2C)c1 ZINC000436680390 1026032662 /nfs/dbraw/zinc/03/26/62/1026032662.db2.gz NRQXWXSUUUWJMH-UHFFFAOYSA-N -1 0 347.374 3.613 20 0 EHADRM CCc1oc(C(=O)N[C@H]2CCCCc3ccccc32)cc1C(=O)[O-] ZINC000516164095 1026049742 /nfs/dbraw/zinc/04/97/42/1026049742.db2.gz FYONQITXLJGUAK-HNNXBMFYSA-N -1 0 327.380 3.738 20 0 EHADRM C[C@@H](NC(=O)N=c1nc(C(C)(C)C)[n-]s1)c1ccccc1Cl ZINC000436702508 1026064742 /nfs/dbraw/zinc/06/47/42/1026064742.db2.gz FHRMTHAEQYQFOE-SECBINFHSA-N -1 0 338.864 3.794 20 0 EHADRM CCCCCN(CCO)C(=O)c1cc(Cc2ccccc2)ccc1O ZINC000436730865 1026118764 /nfs/dbraw/zinc/11/87/64/1026118764.db2.gz MZLCBVAHPYSPAY-UHFFFAOYSA-N -1 0 341.451 3.608 20 0 EHADRM O=C(N[C@@H](c1ccc(F)cc1)C(F)(F)F)c1c(O)cccc1F ZINC000436730910 1026119076 /nfs/dbraw/zinc/11/90/76/1026119076.db2.gz YVJZGJQEUBJDGF-ZDUSSCGKSA-N -1 0 331.240 3.704 20 0 EHADRM COCc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2O)c1 ZINC000436752087 1026140058 /nfs/dbraw/zinc/14/00/58/1026140058.db2.gz PJIDWEOBZXYQRM-UHFFFAOYSA-N -1 0 325.286 3.810 20 0 EHADRM Cc1cc(Nc2ccc3c(c2)OC(C)(C)C(=O)N3)cc(C(=O)[O-])c1 ZINC001211544452 1026187699 /nfs/dbraw/zinc/18/76/99/1026187699.db2.gz AHCAVZBFYMRZDO-UHFFFAOYSA-N -1 0 326.352 3.546 20 0 EHADRM CO[C@@H](C)c1nc(=NC(=O)c2sc3ccc(C)cc3c2C)s[n-]1 ZINC000511120340 1026227676 /nfs/dbraw/zinc/22/76/76/1026227676.db2.gz LCDHSDDWLHLJRK-JTQLQIEISA-N -1 0 347.465 3.751 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H](C)OCc2ccc(F)cc2)c1 ZINC000451894566 1026361731 /nfs/dbraw/zinc/36/17/31/1026361731.db2.gz SBCDJGNQIMIQRV-LBPRGKRZSA-N -1 0 345.370 3.668 20 0 EHADRM CC[C@@H](C)n1ncc(C(=O)NCCCCCCCC(=O)[O-])c1C1CC1 ZINC000277638028 1026409665 /nfs/dbraw/zinc/40/96/65/1026409665.db2.gz KTOPZSMTEWUDEU-CQSZACIVSA-N -1 0 349.475 3.887 20 0 EHADRM COCc1nc(=NCc2ccccc2Oc2cccc(F)c2)s[n-]1 ZINC000530930848 1026430242 /nfs/dbraw/zinc/43/02/42/1026430242.db2.gz XTPJFXZNBPBWFX-UHFFFAOYSA-N -1 0 345.399 3.650 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CC[C@H]1Cc1ccccc1 ZINC000563381935 1026495904 /nfs/dbraw/zinc/49/59/04/1026495904.db2.gz WPFVIIWTHINMRV-ZDUSSCGKSA-N -1 0 335.325 3.868 20 0 EHADRM CCCS(=O)(=O)[N-]c1nc(-c2nccc3ccccc32)cs1 ZINC000342633997 1026533566 /nfs/dbraw/zinc/53/35/66/1026533566.db2.gz GTTFRYZCVPRRDH-UHFFFAOYSA-N -1 0 333.438 3.510 20 0 EHADRM CC(F)(F)CCNC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000452212331 1026578519 /nfs/dbraw/zinc/57/85/19/1026578519.db2.gz JGEHRMXSUOPJPW-UHFFFAOYSA-N -1 0 342.567 3.583 20 0 EHADRM CC1(C)CCC(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])CC1 ZINC000431449225 1026588946 /nfs/dbraw/zinc/58/89/46/1026588946.db2.gz ZTIVRRKZUQUPJG-QGZVFWFLSA-N -1 0 329.440 3.631 20 0 EHADRM COc1c(F)ccc(F)c1C(=O)Nc1csc(-c2ccccn2)n1 ZINC000342651313 1026590598 /nfs/dbraw/zinc/59/05/98/1026590598.db2.gz MQMFHTCEABXJBZ-UHFFFAOYSA-N -1 0 347.346 3.744 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000325312962 1026624734 /nfs/dbraw/zinc/62/47/34/1026624734.db2.gz UEBHNUFHTBUBMY-QRWLVFNGSA-N -1 0 325.408 3.605 20 0 EHADRM COc1cccc(-c2noc([N-][C@H](C)c3nc4ccccc4[nH]3)n2)c1 ZINC000301372899 1026781356 /nfs/dbraw/zinc/78/13/56/1026781356.db2.gz QEBDFIQQXJFYII-LLVKDONJSA-N -1 0 335.367 3.795 20 0 EHADRM CC[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cccc(C)c1Cl ZINC000835277472 1026822229 /nfs/dbraw/zinc/82/22/29/1026822229.db2.gz UVGCFGYCKYFPGP-LBPRGKRZSA-N -1 0 331.865 3.526 20 0 EHADRM O=C([O-])c1ccc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)c(Cl)c1 ZINC000783685424 1026923679 /nfs/dbraw/zinc/92/36/79/1026923679.db2.gz XMLDVEVTVALCDU-ZSOIEALJSA-N -1 0 345.713 3.522 20 0 EHADRM CCO[C@@H]1CCN(C(=O)c2c([O-])cc(Cl)cc2Cl)C[C@@H]1C ZINC000452827786 1027046663 /nfs/dbraw/zinc/04/66/63/1027046663.db2.gz MBZCNNROWXCQSX-TVQRCGJNSA-N -1 0 332.227 3.586 20 0 EHADRM CO[C@H]1CCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C[C@@H]1C ZINC000452865569 1027057613 /nfs/dbraw/zinc/05/76/13/1027057613.db2.gz GNDCDERVKAVKKG-ZBEGNZNMSA-N -1 0 333.815 3.696 20 0 EHADRM Cc1ccc2c(O)c(C(=O)N(C)Cc3ccccc3Cl)cnc2n1 ZINC000075473057 1027138321 /nfs/dbraw/zinc/13/83/21/1027138321.db2.gz ZSOARSHQIIJSDB-UHFFFAOYSA-N -1 0 341.798 3.569 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NCc2ncc(C(C)C)s2)o1 ZINC000453053289 1027294984 /nfs/dbraw/zinc/29/49/84/1027294984.db2.gz SNBIXECZGZLYIZ-UHFFFAOYSA-N -1 0 332.404 3.798 20 0 EHADRM COc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)c(F)c1 ZINC000531748578 1027302037 /nfs/dbraw/zinc/30/20/37/1027302037.db2.gz KUQYDVPRFDDCBA-UHFFFAOYSA-N -1 0 347.342 3.572 20 0 EHADRM Cc1ccc2nc([N-]S(=O)(=O)CCc3ccccc3)sc2c1 ZINC000531809595 1027449592 /nfs/dbraw/zinc/44/95/92/1027449592.db2.gz MXDLQYQTCHSCSC-UHFFFAOYSA-N -1 0 332.450 3.589 20 0 EHADRM O=C([O-])C1(CC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CCC1 ZINC000262523784 1027596478 /nfs/dbraw/zinc/59/64/78/1027596478.db2.gz OGQPCFVDPAUFJY-CYBMUJFWSA-N -1 0 344.436 3.605 20 0 EHADRM C/C=C\C[C@H](NC(=O)Cc1csc2ccc(Cl)cc12)C(=O)[O-] ZINC000582764107 1027615200 /nfs/dbraw/zinc/61/52/00/1027615200.db2.gz OAIYZMIFFDHTFP-ZRMMWKCHSA-N -1 0 337.828 3.633 20 0 EHADRM c1ccc([C@H]2C[C@@H](N=c3nc(C4CCCC4)[n-]s3)CCO2)cc1 ZINC000420608245 1027642342 /nfs/dbraw/zinc/64/23/42/1027642342.db2.gz CUWKUCGQQAIXLE-JKSUJKDBSA-N -1 0 329.469 3.950 20 0 EHADRM Oc1ccc(-c2noc(CSC[C@@H]3CCCCO3)n2)c(Cl)c1 ZINC000277891664 1027671603 /nfs/dbraw/zinc/67/16/03/1027671603.db2.gz DAJPPZFURCYEQK-NSHDSACASA-N -1 0 340.832 3.898 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nccc(-c3ccccc3)n2)c(C)s1 ZINC000130593215 1027682434 /nfs/dbraw/zinc/68/24/34/1027682434.db2.gz SFZOPVSEBZKUHJ-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)cc1 ZINC000502014643 1027701110 /nfs/dbraw/zinc/70/11/10/1027701110.db2.gz DKPPRMZXVJLPAG-UHFFFAOYSA-N -1 0 341.436 3.626 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)c2cc(F)c(Cl)cc2Cl)C1 ZINC000262531958 1027757550 /nfs/dbraw/zinc/75/75/50/1027757550.db2.gz PROJHRGEMSOGQG-HNNXBMFYSA-N -1 0 348.201 3.705 20 0 EHADRM Cc1nc([C@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)sc1C(=O)[O-] ZINC000237567535 1027769247 /nfs/dbraw/zinc/76/92/47/1027769247.db2.gz MIPRPCDDIDFHJQ-DJCSNXPJSA-N -1 0 348.468 3.543 20 0 EHADRM COc1c(C)cc(S(=O)(=O)[N-]c2ccccc2OC(C)C)cc1C ZINC000614801637 1027806321 /nfs/dbraw/zinc/80/63/21/1027806321.db2.gz YENZXDZTNYGARB-UHFFFAOYSA-N -1 0 349.452 3.900 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(OC2CCCCC2)cc1 ZINC000422576946 1027807225 /nfs/dbraw/zinc/80/72/25/1027807225.db2.gz ADIPEIIBXRSSBO-HOCLYGCPSA-N -1 0 345.439 3.723 20 0 EHADRM CCc1c2ccccc2oc1C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC001269405117 1027960470 /nfs/dbraw/zinc/96/04/70/1027960470.db2.gz RNAOYPDYHMZRMF-UHFFFAOYSA-N -1 0 349.346 3.591 20 0 EHADRM O=C(N=c1[n-]nc(/C=C\c2ccco2)s1)NC1CCC2(CC2)CC1 ZINC000434205566 1027990842 /nfs/dbraw/zinc/99/08/42/1027990842.db2.gz KOTJVZSOIMHVTC-ARJAWSKDSA-N -1 0 344.440 3.568 20 0 EHADRM O=C(Cc1ccc2c[nH]nc2c1)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000503649518 1027999253 /nfs/dbraw/zinc/99/92/53/1027999253.db2.gz NTJDTRSTDPSRFI-UHFFFAOYSA-N -1 0 336.178 3.757 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)NC[C@H]2CCCC(F)(F)C2)s1 ZINC000503785782 1028136625 /nfs/dbraw/zinc/13/66/25/1028136625.db2.gz CCTXRZUOPHMMBD-NSHDSACASA-N -1 0 346.447 3.640 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)nn1C(C)C ZINC000421169273 1028146577 /nfs/dbraw/zinc/14/65/77/1028146577.db2.gz ARJVFJXGNPKAJM-UHFFFAOYSA-N -1 0 335.473 3.871 20 0 EHADRM CC[C@H](CS(=O)(=O)[N-]c1ccc(Cl)cc1C(F)(F)F)OC ZINC000421231779 1028214741 /nfs/dbraw/zinc/21/47/41/1028214741.db2.gz XSOBRAFQYMMLGH-SECBINFHSA-N -1 0 345.770 3.526 20 0 EHADRM CCc1n[n-]c(=NC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)s1 ZINC000444837790 1028337367 /nfs/dbraw/zinc/33/73/67/1028337367.db2.gz OJNJRYAGHSCUGI-ZETCQYMHSA-N -1 0 345.255 3.712 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1cc(Cl)ccc1Cl)CC(=O)[O-] ZINC000088272659 1028359463 /nfs/dbraw/zinc/35/94/63/1028359463.db2.gz CIWQIJRDKNKIRD-JTQLQIEISA-N -1 0 332.227 3.860 20 0 EHADRM Cc1n[n-]c(=NC(=O)c2ccc(Oc3cccc(Cl)c3)cc2)s1 ZINC000504061902 1028372719 /nfs/dbraw/zinc/37/27/19/1028372719.db2.gz REJVEOQFKRULMS-UHFFFAOYSA-N -1 0 345.811 3.966 20 0 EHADRM CC[C@H](C)c1cc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)on1 ZINC000139263360 1028382791 /nfs/dbraw/zinc/38/27/91/1028382791.db2.gz QFKZWWMNUDZMOI-JSGCOSHPSA-N -1 0 330.384 3.524 20 0 EHADRM COc1ccc(Nc2cc(Cl)cc(C(=O)[O-])c2)c(OC)c1F ZINC001211969346 1028404145 /nfs/dbraw/zinc/40/41/45/1028404145.db2.gz DUTGZWWBZPICOJ-UHFFFAOYSA-N -1 0 325.723 3.938 20 0 EHADRM O=C([O-])C1CCC(CC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000582966702 1028406965 /nfs/dbraw/zinc/40/69/65/1028406965.db2.gz QWIJZDADUCFOMQ-UHFFFAOYSA-N -1 0 329.318 3.925 20 0 EHADRM CCc1ccc(S(=O)(=O)C=C([O-])c2ccc(F)c(Cl)c2)cc1 ZINC000582986120 1028444425 /nfs/dbraw/zinc/44/44/25/1028444425.db2.gz GRNHLLPDMJSLMT-UHFFFAOYSA-N -1 0 340.803 3.698 20 0 EHADRM Cn1ncc(C(=O)Nc2cccc(Cl)c2[O-])c1Cc1ccccc1 ZINC000444997018 1028461104 /nfs/dbraw/zinc/46/11/04/1028461104.db2.gz DPQMGHLRURWAKS-UHFFFAOYSA-N -1 0 341.798 3.622 20 0 EHADRM O=C([O-])CN(C(=O)Nc1ccc(-c2nccs2)cc1)C1CCCC1 ZINC000583002446 1028498578 /nfs/dbraw/zinc/49/85/78/1028498578.db2.gz GUVPGPDRKQAWJU-UHFFFAOYSA-N -1 0 345.424 3.671 20 0 EHADRM Cc1ccc2oc(SCc3nc(=O)c4sccc4[n-]3)nc2c1 ZINC000072626877 1028509845 /nfs/dbraw/zinc/50/98/45/1028509845.db2.gz SRTGZTZLLWMPSA-UHFFFAOYSA-N -1 0 329.406 3.727 20 0 EHADRM Cc1cc(Br)c(F)cc1NC(=O)C(C)(C)CCC(=O)[O-] ZINC000634829867 1028524557 /nfs/dbraw/zinc/52/45/57/1028524557.db2.gz IXHORKCUHRDLLU-UHFFFAOYSA-N -1 0 346.196 3.726 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000236618300 1028558791 /nfs/dbraw/zinc/55/87/91/1028558791.db2.gz QXYZDXUDDYBFGE-OBJOEFQTSA-N -1 0 344.238 3.712 20 0 EHADRM CC(C)C[C@@H](NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000236774124 1028581788 /nfs/dbraw/zinc/58/17/88/1028581788.db2.gz WWWSJQIGCUYMKP-BXUZGUMPSA-N -1 0 345.361 3.815 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000236838841 1028591307 /nfs/dbraw/zinc/59/13/07/1028591307.db2.gz JERGZVWCSWAVQI-STQMWFEESA-N -1 0 343.345 3.569 20 0 EHADRM [O-]c1ccc(-c2nc(-c3ccc4c(c3)OCCO4)no2)cc1Cl ZINC000445180837 1028593736 /nfs/dbraw/zinc/59/37/36/1028593736.db2.gz CGCCEGYTWKBEOZ-UHFFFAOYSA-N -1 0 330.727 3.534 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2ccc3ccccc3c2)n1 ZINC000583046661 1028644919 /nfs/dbraw/zinc/64/49/19/1028644919.db2.gz CIFINCSVKCKZIM-UHFFFAOYSA-N -1 0 330.434 3.758 20 0 EHADRM C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N(CC(=O)[O-])C1CC1 ZINC000237346456 1028648462 /nfs/dbraw/zinc/64/84/62/1028648462.db2.gz PUNVBOQCJSNFFX-MRVPVSSYSA-N -1 0 348.251 3.550 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000237834848 1028668719 /nfs/dbraw/zinc/66/87/19/1028668719.db2.gz SGOBYPGXXDTTSA-QGZVFWFLSA-N -1 0 349.386 3.701 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C[C@@H]2CCOc3ccccc32)cc1Cl ZINC000238169842 1028681816 /nfs/dbraw/zinc/68/18/16/1028681816.db2.gz DBZNEFDSUPWQQF-NSHDSACASA-N -1 0 345.782 3.933 20 0 EHADRM COc1cc(/C(C#N)=C/c2cc(F)c([O-])c(F)c2)ccc1[N+](=O)[O-] ZINC000091540597 1028690356 /nfs/dbraw/zinc/69/03/56/1028690356.db2.gz QCXZNDQCPSAQID-NYYWCZLTSA-N -1 0 332.262 3.651 20 0 EHADRM CC(C)Oc1ccccc1/C=C/C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000023165438 1028762375 /nfs/dbraw/zinc/76/23/75/1028762375.db2.gz HWJGHNJSPMIQSN-ZHACJKMWSA-N -1 0 340.375 3.833 20 0 EHADRM Cc1cc(F)c(S(=O)(=O)[N-]c2scnc2C(C)C)c(F)c1 ZINC000424070371 1028773471 /nfs/dbraw/zinc/77/34/71/1028773471.db2.gz RPAIBKQDFNMOLQ-UHFFFAOYSA-N -1 0 332.397 3.654 20 0 EHADRM C[C@@H](O[C@@H](C)C(=O)[O-])C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000421802133 1028789498 /nfs/dbraw/zinc/78/94/98/1028789498.db2.gz GHSSFABWESTEIS-NEPJUHHUSA-N -1 0 337.441 3.538 20 0 EHADRM O=C([O-])C1(CC(=O)NCc2ccc(C(F)F)cc2)CCCCC1 ZINC000545903871 1028799848 /nfs/dbraw/zinc/79/98/48/1028799848.db2.gz MIKLABLQIXCPGM-UHFFFAOYSA-N -1 0 325.355 3.666 20 0 EHADRM CCOc1cc(CC(=O)[O-])c(-c2ccccc2OC)cc1OCC ZINC000583095016 1028808339 /nfs/dbraw/zinc/80/83/39/1028808339.db2.gz UKKFTVMZWJAALP-UHFFFAOYSA-N -1 0 330.380 3.787 20 0 EHADRM Cc1ccc(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)cc1Cl ZINC000322129821 1028828169 /nfs/dbraw/zinc/82/81/69/1028828169.db2.gz OXOPJERUSHDKHO-UHFFFAOYSA-N -1 0 329.783 3.545 20 0 EHADRM C[C@@H](N=c1nc(C(F)(F)F)[n-]s1)c1nc(C(F)(F)F)cs1 ZINC000343053761 1028835669 /nfs/dbraw/zinc/83/56/69/1028835669.db2.gz MTGYBCCZPBAPEV-GSVOUGTGSA-N -1 0 348.297 3.627 20 0 EHADRM CC1(C)Cc2cc(C(=O)N=c3[n-]ncs3)sc2-c2ccccc21 ZINC000524204215 1028964801 /nfs/dbraw/zinc/96/48/01/1028964801.db2.gz DQBBDMXQTCJWLB-UHFFFAOYSA-N -1 0 341.461 3.775 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)N=c2[n-]nc(-c3ccsc3)s2)cc1 ZINC000503022853 1028979541 /nfs/dbraw/zinc/97/95/41/1028979541.db2.gz JLLPCAOBQMJBRA-LLVKDONJSA-N -1 0 344.465 3.880 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N[C@H](c2ccccc2)C2CC2)s1 ZINC000503053910 1029023028 /nfs/dbraw/zinc/02/30/28/1029023028.db2.gz QLJJNGHNNARZSK-OAHLLOKOSA-N -1 0 330.457 3.575 20 0 EHADRM CC(C)(C)C[C@@H]1CCN(C(=O)N=c2[n-]nc(-c3ccco3)s2)C1 ZINC000454531124 1029040056 /nfs/dbraw/zinc/04/00/56/1029040056.db2.gz YJJZHYGXUHDPAG-NSHDSACASA-N -1 0 334.445 3.510 20 0 EHADRM CCC(CC)(CNC(=O)N(C)[C@H](C)c1c(F)cccc1F)C(=O)[O-] ZINC000424406625 1029052910 /nfs/dbraw/zinc/05/29/10/1029052910.db2.gz AKAMOWPLJXFPNT-LLVKDONJSA-N -1 0 342.386 3.558 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N[C@@H](c2ccccc2)C(C)C)s1 ZINC000503121592 1029065266 /nfs/dbraw/zinc/06/52/66/1029065266.db2.gz VBCPCWYWRLFVEK-OAHLLOKOSA-N -1 0 332.473 3.821 20 0 EHADRM CCC(CC)(CNC(=O)N1CCCCC[C@@H]1c1ccco1)C(=O)[O-] ZINC000424432727 1029074407 /nfs/dbraw/zinc/07/44/07/1029074407.db2.gz QPHZJECWSLRDSI-CQSZACIVSA-N -1 0 336.432 3.797 20 0 EHADRM CCCN(CC1CC1)C(=O)c1cc(Br)cc(F)c1[O-] ZINC000864451461 1029093921 /nfs/dbraw/zinc/09/39/21/1029093921.db2.gz XGKRMCNWVKKTHY-UHFFFAOYSA-N -1 0 330.197 3.556 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)n[nH]c1C(C)C ZINC000647279046 1029191025 /nfs/dbraw/zinc/19/10/25/1029191025.db2.gz FUFGRULUCQBRLE-UHFFFAOYSA-N -1 0 347.362 3.661 20 0 EHADRM O=C(N=c1[n-]nc(CC2CCCCC2)s1)c1ccc(C2CC2)cn1 ZINC000445874884 1029206604 /nfs/dbraw/zinc/20/66/04/1029206604.db2.gz LQUPUPYNNJVQDB-UHFFFAOYSA-N -1 0 342.468 3.608 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)NCCCCCCCC(=O)[O-])c1 ZINC000271943581 1029239268 /nfs/dbraw/zinc/23/92/68/1029239268.db2.gz HAWQIOHWWWMFEU-HNNXBMFYSA-N -1 0 335.444 3.730 20 0 EHADRM CC(C)[C@H]1CCN1C(=O)N=c1[n-]nc(C(C)(C)c2ccccc2)s1 ZINC000454739268 1029253644 /nfs/dbraw/zinc/25/36/44/1029253644.db2.gz OWMHKRLXFJOKOO-CQSZACIVSA-N -1 0 344.484 3.548 20 0 EHADRM CCn1nc(C)c(S(=O)(=O)[N-]c2cccc3ccsc32)c1C ZINC000533091945 1029320921 /nfs/dbraw/zinc/32/09/21/1029320921.db2.gz CSMZHVUEZBUDFC-UHFFFAOYSA-N -1 0 335.454 3.535 20 0 EHADRM CSCc1cccc([N-]S(=O)(=O)c2cc(C)ccc2F)c1 ZINC000524625410 1029358246 /nfs/dbraw/zinc/35/82/46/1029358246.db2.gz ZGEXFXHACIPXCG-UHFFFAOYSA-N -1 0 325.430 3.798 20 0 EHADRM CCOc1ccccc1N=c1[n-]nc(SCC(=O)C2CCC2)s1 ZINC000446063701 1029359003 /nfs/dbraw/zinc/35/90/03/1029359003.db2.gz ZIDQCESTJVUGGZ-UHFFFAOYSA-N -1 0 349.481 3.564 20 0 EHADRM COc1ccc(CCCC(=O)Nc2cc(C(C)=O)ccc2[O-])cc1 ZINC000272242999 1029377404 /nfs/dbraw/zinc/37/74/04/1029377404.db2.gz NTNQWSXYGOKZFZ-UHFFFAOYSA-N -1 0 327.380 3.565 20 0 EHADRM CC1(C)CCCC[C@H]1CC(=O)Nc1ccccc1NS(C)(=O)=O ZINC000154994973 1029377423 /nfs/dbraw/zinc/37/74/23/1029377423.db2.gz MVDCDICOGRBPGZ-ZDUSSCGKSA-N -1 0 338.473 3.603 20 0 EHADRM C[C@@H]1CCC[C@@H](C)N(C(=O)c2cccc(Br)c2[O-])C1 ZINC000524739688 1029476851 /nfs/dbraw/zinc/47/68/51/1029476851.db2.gz FODHCOZKLXERIW-GHMZBOCLSA-N -1 0 326.234 3.805 20 0 EHADRM CCc1oc(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)cc1C(=O)[O-] ZINC000261731135 1029491719 /nfs/dbraw/zinc/49/17/19/1029491719.db2.gz YGCGJVNNAZIHHG-CYBMUJFWSA-N -1 0 333.771 3.611 20 0 EHADRM O=C(c1s[n-]c(=O)c1Cl)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000548791192 1029500622 /nfs/dbraw/zinc/50/06/22/1029500622.db2.gz PCNWLYMRDIRUHM-SECBINFHSA-N -1 0 343.235 3.785 20 0 EHADRM CCCOCCOc1cccc(-c2cccc(OCC(=O)[O-])c2)c1 ZINC000583273936 1029511696 /nfs/dbraw/zinc/51/16/96/1029511696.db2.gz HHYZIPSTWNRSGD-UHFFFAOYSA-N -1 0 330.380 3.622 20 0 EHADRM CC[C@H](CC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000262225635 1029573136 /nfs/dbraw/zinc/57/31/36/1029573136.db2.gz RRONECYWDMUMQK-BEFAXECRSA-N -1 0 337.419 3.781 20 0 EHADRM CCC(CC)[C@@H]1C[C@@H](NC(=O)[C@@](C)(CC(=O)[O-])CC(C)C)CCO1 ZINC000634907838 1029587771 /nfs/dbraw/zinc/58/77/71/1029587771.db2.gz VOPOXTGNMHQMIW-TXPKVOOTSA-N -1 0 341.492 3.614 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)C(F)(F)F ZINC000446348115 1029589786 /nfs/dbraw/zinc/58/97/86/1029589786.db2.gz HZGCNZHWKBAFIB-KGFZYKRKSA-N -1 0 327.705 3.892 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000262427865 1029591222 /nfs/dbraw/zinc/59/12/22/1029591222.db2.gz LZAPQOPWUDSUFJ-UHFFFAOYSA-N -1 0 335.400 3.676 20 0 EHADRM Cc1cnc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c([O-])c1 ZINC000427767408 1029606404 /nfs/dbraw/zinc/60/64/04/1029606404.db2.gz XTZPIXJORNJIAE-UHFFFAOYSA-N -1 0 346.799 3.520 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)c1ccc(-c2ccc(F)cc2)s1)C1CC1 ZINC000262591768 1029610542 /nfs/dbraw/zinc/61/05/42/1029610542.db2.gz HWUIEWDIJYVMEU-SNVBAGLBSA-N -1 0 333.384 3.632 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000262709057 1029626448 /nfs/dbraw/zinc/62/64/48/1029626448.db2.gz CCOCNQYPPCTHFR-SCLBCKFNSA-N -1 0 333.359 3.644 20 0 EHADRM O=C(Nc1ccccc1-c1cn[nH]c1)c1cc(F)c([O-])c(Cl)c1 ZINC000446423581 1029639386 /nfs/dbraw/zinc/63/93/86/1029639386.db2.gz GQZYKEAVYZKLDD-UHFFFAOYSA-N -1 0 331.734 3.827 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)C[C@H]1CCc2ccccc2C1 ZINC000262817960 1029640508 /nfs/dbraw/zinc/64/05/08/1029640508.db2.gz AGOJUFGCAVQSKQ-ZDUSSCGKSA-N -1 0 339.391 3.527 20 0 EHADRM C/C=C/C[C@H](NC(=O)c1ccccc1SCC=C(C)C)C(=O)[O-] ZINC000262828735 1029641856 /nfs/dbraw/zinc/64/18/56/1029641856.db2.gz QZVFRUCVFHYCKD-RGDDUWESSA-N -1 0 333.453 3.894 20 0 EHADRM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000262826261 1029641897 /nfs/dbraw/zinc/64/18/97/1029641897.db2.gz BEVVSFHINZKCJC-NEPJUHHUSA-N -1 0 344.238 3.843 20 0 EHADRM CC(C)CC1(C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)CCC1 ZINC000262980157 1029654371 /nfs/dbraw/zinc/65/43/71/1029654371.db2.gz UHPBPKMPDJKBIQ-SJORKVTESA-N -1 0 329.440 3.530 20 0 EHADRM C[C@@]1(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CCCc2ccccc21 ZINC000263144331 1029668686 /nfs/dbraw/zinc/66/86/86/1029668686.db2.gz GZNMQRPSYVJZGW-HXUWFJFHSA-N -1 0 341.382 3.686 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CCCc2csc3ccccc23)C1 ZINC000263143760 1029668912 /nfs/dbraw/zinc/66/89/12/1029668912.db2.gz DVXKXPLOHYWJME-HIFRSBDPSA-N -1 0 345.464 3.793 20 0 EHADRM COCc1cc(NC(=O)C[C@H](C)c2ccccc2C)cc(C(=O)[O-])c1 ZINC000263155879 1029670033 /nfs/dbraw/zinc/67/00/33/1029670033.db2.gz XQPGWZGZGRRXIE-AWEZNQCLSA-N -1 0 341.407 3.972 20 0 EHADRM Cc1ccc(SC2(C(=O)N3CC[C@H](C(=O)[O-])[C@@H]3C)CCCC2)cc1 ZINC000263177550 1029671382 /nfs/dbraw/zinc/67/13/82/1029671382.db2.gz LHZOBPPXEZIZAW-HOCLYGCPSA-N -1 0 347.480 3.722 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cccc(Oc2ccccc2)c1 ZINC000263188605 1029671718 /nfs/dbraw/zinc/67/17/18/1029671718.db2.gz KZHAMNZYRAKIFJ-GOEBONIOSA-N -1 0 339.391 3.804 20 0 EHADRM CC(C)Oc1cccc(CC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c1 ZINC000263212452 1029674954 /nfs/dbraw/zinc/67/49/54/1029674954.db2.gz LQJIXEFLXCWRTC-CQSZACIVSA-N -1 0 341.407 3.843 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCCc1csc2ccccc12 ZINC000263252543 1029679530 /nfs/dbraw/zinc/67/95/30/1029679530.db2.gz SZCDPSFASNYXBP-KGLIPLIRSA-N -1 0 345.464 3.936 20 0 EHADRM C/C=C/C[C@@H](NC(=O)Cc1csc2ccc(Cl)cc12)C(=O)[O-] ZINC000263279223 1029683854 /nfs/dbraw/zinc/68/38/54/1029683854.db2.gz OAIYZMIFFDHTFP-YWVDXFKGSA-N -1 0 337.828 3.633 20 0 EHADRM CC(C)COc1ccc(C(C)(C)NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000263321108 1029687512 /nfs/dbraw/zinc/68/75/12/1029687512.db2.gz NOTZHTSKMRYVID-CABCVRRESA-N -1 0 347.455 3.574 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Cc2ccc(C(=O)[O-])cc2)o1 ZINC000263327550 1029689560 /nfs/dbraw/zinc/68/95/60/1029689560.db2.gz LASDLECUQOPIDQ-GUYCJALGSA-N -1 0 341.407 3.829 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)c1 ZINC000263346084 1029690810 /nfs/dbraw/zinc/69/08/10/1029690810.db2.gz UAXXCZIBYVIMIU-CXAGYDPISA-N -1 0 341.382 3.851 20 0 EHADRM CCCN1C(=O)CCc2cc(NCc3ccc(C(=O)[O-])cc3)ccc21 ZINC000263427580 1029696388 /nfs/dbraw/zinc/69/63/88/1029696388.db2.gz RAXDHDSHUJWWJD-UHFFFAOYSA-N -1 0 338.407 3.686 20 0 EHADRM CCc1ccc(C(C)(C)CNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC000263519745 1029707605 /nfs/dbraw/zinc/70/76/05/1029707605.db2.gz GPQLEXRZLNLPHX-WKILWMFISA-N -1 0 331.456 3.534 20 0 EHADRM O=C([O-])CC1(CC(=O)NC2CCC3(CC3(F)F)CC2)CCCCC1 ZINC000634929385 1029709906 /nfs/dbraw/zinc/70/99/06/1029709906.db2.gz KMQQCNBVQYPEKK-UHFFFAOYSA-N -1 0 343.414 3.886 20 0 EHADRM CCOc1cccc2cc([C@@H](C)N=c3nc([C@H](C)OC)[n-]s3)oc21 ZINC000509687787 1029766811 /nfs/dbraw/zinc/76/68/11/1029766811.db2.gz XWOIMORPGOQJHQ-MNOVXSKESA-N -1 0 347.440 3.985 20 0 EHADRM CCSCc1cccc(NC(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000600964640 1029782491 /nfs/dbraw/zinc/78/24/91/1029782491.db2.gz RXGHZKJHICVXMN-IUODEOHRSA-N -1 0 336.457 3.514 20 0 EHADRM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000171013811 1029980362 /nfs/dbraw/zinc/98/03/62/1029980362.db2.gz NEQYAARJGCSIBC-SECBINFHSA-N -1 0 345.342 3.612 20 0 EHADRM CCCCCC(=O)[N-]S(=O)(=O)c1ccc(OCC)c(OCC)c1 ZINC000042300294 1030011793 /nfs/dbraw/zinc/01/17/93/1030011793.db2.gz NHDLMLRSJQKKHR-UHFFFAOYSA-N -1 0 343.445 3.710 20 0 EHADRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(F)c1C ZINC000447271881 1030040712 /nfs/dbraw/zinc/04/07/12/1030040712.db2.gz AOSROOCDIQWMIA-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)c2cc(C)c(C)s2)s[n-]1 ZINC000472292205 1030097783 /nfs/dbraw/zinc/09/77/83/1030097783.db2.gz HSXKAGNUNZDFFU-UHFFFAOYSA-N -1 0 335.479 3.928 20 0 EHADRM CCSCc1ccnc([N-]S(=O)(=O)c2ccc(F)cc2C)c1 ZINC000090367907 1030105590 /nfs/dbraw/zinc/10/55/90/1030105590.db2.gz WLWFFJAYOCFSPH-UHFFFAOYSA-N -1 0 340.445 3.583 20 0 EHADRM COCc1cccc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)c1 ZINC000120793422 1030108255 /nfs/dbraw/zinc/10/82/55/1030108255.db2.gz QDMZCMPARFULSG-UHFFFAOYSA-N -1 0 343.807 3.735 20 0 EHADRM COc1ccc(F)cc1CC(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000481908210 1030121966 /nfs/dbraw/zinc/12/19/66/1030121966.db2.gz DCZUXNILICPORF-UHFFFAOYSA-N -1 0 327.714 3.514 20 0 EHADRM C[C@H](CNS(=O)(=O)c1ccc(C(C)(C)C)s1)C(F)(F)F ZINC000476565188 1030223711 /nfs/dbraw/zinc/22/37/11/1030223711.db2.gz BSUAWVVIOQCUEJ-MRVPVSSYSA-N -1 0 329.409 3.522 20 0 EHADRM O=C([O-])CN(Cc1c(Cl)ccc2cccnc21)c1ccccc1 ZINC000347361114 1030242116 /nfs/dbraw/zinc/24/21/16/1030242116.db2.gz VOUCIMUZIUAVIS-UHFFFAOYSA-N -1 0 326.783 3.979 20 0 EHADRM CCCCS(=O)(=O)[N-]C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000042343584 1030257744 /nfs/dbraw/zinc/25/77/44/1030257744.db2.gz BEFXBQWMKIXEGC-UHFFFAOYSA-N -1 0 341.376 3.733 20 0 EHADRM Cc1ccc(Nc2nc(C)c(Br)c(C)n2)cc1C(=O)[O-] ZINC001211591868 1030337380 /nfs/dbraw/zinc/33/73/80/1030337380.db2.gz GJJBQQMDSDUDLF-UHFFFAOYSA-N -1 0 336.189 3.606 20 0 EHADRM Cc1ccccc1C([O-])=CS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000323323848 1030459426 /nfs/dbraw/zinc/45/94/26/1030459426.db2.gz TXTMVDOTGHYRBT-UHFFFAOYSA-N -1 0 342.338 3.670 20 0 EHADRM Cc1ccccc1NC(=O)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000122063613 1030479956 /nfs/dbraw/zinc/47/99/56/1030479956.db2.gz JTDUGQJPZDGZJW-UHFFFAOYSA-N -1 0 339.178 3.585 20 0 EHADRM Cc1ccc(Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1C(=O)[O-] ZINC001211594142 1030487447 /nfs/dbraw/zinc/48/74/47/1030487447.db2.gz NKNKECIIIYJZIA-SECBINFHSA-N -1 0 344.436 3.722 20 0 EHADRM O=C([O-])CCc1cccc(-c2ccccc2OC[C@H]2CCOC2)c1 ZINC000583704637 1030519923 /nfs/dbraw/zinc/51/99/23/1030519923.db2.gz MNXAPCUWNUSKAV-INIZCTEOSA-N -1 0 326.392 3.786 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])NC(=O)C[C@@H](C)c2ccccc2)c1 ZINC000532258528 1030525016 /nfs/dbraw/zinc/52/50/16/1030525016.db2.gz AFPKYKWBNIAJBA-RDTXWAMCSA-N -1 0 341.407 3.521 20 0 EHADRM Cc1cnc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)s1 ZINC000615181219 1030590348 /nfs/dbraw/zinc/59/03/48/1030590348.db2.gz OFUOKUWRLOMNNK-UHFFFAOYSA-N -1 0 340.470 3.677 20 0 EHADRM CCOc1cc(NC(=O)c2cc(F)c([O-])c(Cl)c2)ccc1OC ZINC000194457556 1030627165 /nfs/dbraw/zinc/62/71/65/1030627165.db2.gz LDNJVXSPBSXRQV-UHFFFAOYSA-N -1 0 339.750 3.844 20 0 EHADRM CC(C)[C@H]1C[C@@H](NC(=O)N=c2ccc(C3CC3)n[n-]2)c2ccccc21 ZINC000448017730 1030671465 /nfs/dbraw/zinc/67/14/65/1030671465.db2.gz ZNUFDFUGPHCTQM-SJLPKXTDSA-N -1 0 336.439 3.782 20 0 EHADRM Cc1cc(C([O-])=C[S@@](=O)Cc2ccccc2C2CC2)c(C)n1C ZINC000527209738 1030711257 /nfs/dbraw/zinc/71/12/57/1030711257.db2.gz ZTGIXXIWBMWDCU-QHCPKHFHSA-N -1 0 329.465 3.651 20 0 EHADRM CCN(C(=O)c1cccc(Br)c1[O-])[C@@H](C)c1cccnc1 ZINC000537642671 1030738923 /nfs/dbraw/zinc/73/89/23/1030738923.db2.gz PEIHPFVCHLSOPI-NSHDSACASA-N -1 0 349.228 3.773 20 0 EHADRM CCOc1cc(NS(=O)(=O)c2ccc(OC)c(C)c2)ccc1C ZINC000550872797 1030744545 /nfs/dbraw/zinc/74/45/45/1030744545.db2.gz GDCXFJLNKRKQJU-UHFFFAOYSA-N -1 0 335.425 3.512 20 0 EHADRM CCOc1ccccc1NC(=O)c1cccc(Br)c1[O-] ZINC000537646152 1030749758 /nfs/dbraw/zinc/74/97/58/1030749758.db2.gz KGQZVFLWJHVEJK-UHFFFAOYSA-N -1 0 336.185 3.806 20 0 EHADRM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000448152151 1030775678 /nfs/dbraw/zinc/77/56/78/1030775678.db2.gz WAHCKECDMUNSIH-HNNXBMFYSA-N -1 0 344.846 3.572 20 0 EHADRM O=C(Nc1ccc2c(c1)CCCC(=O)N2)c1ccc([O-])c(Cl)c1 ZINC000171486239 1030784307 /nfs/dbraw/zinc/78/43/07/1030784307.db2.gz AUGUWCAMMDMVTQ-UHFFFAOYSA-N -1 0 330.771 3.573 20 0 EHADRM O=C([O-])C[C@H]1CCCN(c2nccc3cc(Br)ccc32)C1 ZINC000668157726 1030805240 /nfs/dbraw/zinc/80/52/40/1030805240.db2.gz GEDMOJZJSSIJGM-LLVKDONJSA-N -1 0 349.228 3.688 20 0 EHADRM COc1cc(Br)ccc1/C=C/c1cc(C(=O)[O-])ccn1 ZINC000550973808 1030860945 /nfs/dbraw/zinc/86/09/45/1030860945.db2.gz HNEXHTAIRMUYHI-HWKANZROSA-N -1 0 334.169 3.721 20 0 EHADRM CCOCc1cccc([N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000102320604 1030901039 /nfs/dbraw/zinc/90/10/39/1030901039.db2.gz AHTOVOQZFGHEQB-UHFFFAOYSA-N -1 0 331.846 3.739 20 0 EHADRM Cc1cc(C(=O)N[C@@H](C)CCC(=O)[O-])c(C)n1-c1ccc(Cl)cc1 ZINC000237530270 1030902850 /nfs/dbraw/zinc/90/28/50/1030902850.db2.gz UWOYEDVGBGNBHT-NSHDSACASA-N -1 0 348.830 3.731 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000262815914 1030923636 /nfs/dbraw/zinc/92/36/36/1030923636.db2.gz ALTBIDBGFOOVIP-DFBGVHRSSA-N -1 0 329.421 3.987 20 0 EHADRM CC(C)(C)C[C@H]1CCCN1C(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000448360964 1030987666 /nfs/dbraw/zinc/98/76/66/1030987666.db2.gz VNJXXHDVCYLEKH-MRXNPFEDSA-N -1 0 338.455 3.998 20 0 EHADRM CC[C@@H](NC(=O)N=c1ccc(-c2ccccc2)n[n-]1)c1cccs1 ZINC000448348570 1031000987 /nfs/dbraw/zinc/00/09/87/1031000987.db2.gz MILRCUHSRAUFSP-CQSZACIVSA-N -1 0 338.436 3.900 20 0 EHADRM Cc1ccc(-n2c3cc(N)ccc3nc2C(F)(F)F)cc1C(=O)[O-] ZINC001211601689 1031039845 /nfs/dbraw/zinc/03/98/45/1031039845.db2.gz FKYHPGQHUOEWIB-UHFFFAOYSA-N -1 0 335.285 3.633 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1 ZINC000261853057 1031085604 /nfs/dbraw/zinc/08/56/04/1031085604.db2.gz JQQNNLRBWXJHTL-OLZOCXBDSA-N -1 0 329.318 3.621 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)[N-]S(=O)(=O)CCC(C)C)c2c1 ZINC000080291833 1031109631 /nfs/dbraw/zinc/10/96/31/1031109631.db2.gz MZFGAIYZGQXMHD-UHFFFAOYSA-N -1 0 336.457 3.741 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]C(=O)C=C(C)c2ccc(F)cc2)cc1 ZINC000065644638 1031177033 /nfs/dbraw/zinc/17/70/33/1031177033.db2.gz XSYIKSDPKGTCEJ-QXMHVHEDSA-N -1 0 349.383 3.583 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)Nc3ccc(F)c(Cl)c3)cc2=O)cc1 ZINC000174378719 1031207193 /nfs/dbraw/zinc/20/71/93/1031207193.db2.gz UZXMUAUNBYPZDH-UHFFFAOYSA-N -1 0 345.761 3.519 20 0 EHADRM Fc1cc(F)c(CN=c2[n-]nc(-c3ccc4c(c3)CCC4)o2)cc1F ZINC000551336810 1031235395 /nfs/dbraw/zinc/23/53/95/1031235395.db2.gz WZJOYWKKEJXLAY-UHFFFAOYSA-N -1 0 345.324 3.677 20 0 EHADRM COCc1n[n-]c(=NCc2ccccc2Sc2ccccc2)s1 ZINC000477107453 1031242014 /nfs/dbraw/zinc/24/20/14/1031242014.db2.gz GNVGAQPLTYALBH-UHFFFAOYSA-N -1 0 343.477 3.870 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCCC[C@H]3C)n2)cc1 ZINC000174965270 1031263575 /nfs/dbraw/zinc/26/35/75/1031263575.db2.gz KFVJYILKHDMZQB-CQSZACIVSA-N -1 0 327.428 3.716 20 0 EHADRM Cc1c(NC(=O)c2cccc([C@@H]3CCCOC3)c2)cccc1C(=O)[O-] ZINC000668268051 1031350999 /nfs/dbraw/zinc/35/09/99/1031350999.db2.gz DZMOQJBKBNFTQB-MRXNPFEDSA-N -1 0 339.391 3.840 20 0 EHADRM c1cc(-c2n[n-]c(=N[C@@H]3C[C@H]3c3ccc4ccccc4c3)s2)no1 ZINC000584001405 1031365787 /nfs/dbraw/zinc/36/57/87/1031365787.db2.gz UYRYOLJTYXBODD-GOEBONIOSA-N -1 0 334.404 3.736 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)Cc2cccc(C3CC3)c2)[C@H]2CCCC[C@@H]12 ZINC000668295257 1031414478 /nfs/dbraw/zinc/41/44/78/1031414478.db2.gz NIEWIDZBLSPGSK-OTWHNJEPSA-N -1 0 341.451 3.598 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2n[nH]c(C)c2-c2ccccc2)c(C)s1 ZINC000536192098 1031417180 /nfs/dbraw/zinc/41/71/80/1031417180.db2.gz NDLDWCFRTBNEOY-UHFFFAOYSA-N -1 0 347.465 3.864 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(OC)c2O)cc1 ZINC000484061161 1031447751 /nfs/dbraw/zinc/44/77/51/1031447751.db2.gz SDEHQTDJISNGDJ-UHFFFAOYSA-N -1 0 349.452 3.889 20 0 EHADRM Cc1ccccc1-c1nc(=N[C@H](C)C[C@@H](O)c2cccs2)s[n-]1 ZINC000527937104 1031461176 /nfs/dbraw/zinc/46/11/76/1031461176.db2.gz BNRZHUWZKCPRRV-TZMCWYRMSA-N -1 0 345.493 3.921 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2nnc(C(C)(C)C)o2)cc1 ZINC000194790354 1031516018 /nfs/dbraw/zinc/51/60/18/1031516018.db2.gz HOPLRKRZMQDKIN-LLVKDONJSA-N -1 0 337.445 3.681 20 0 EHADRM CCn1nccc1CCSc1n[n-]c(=Nc2cccc(C)c2)s1 ZINC000477409009 1031528655 /nfs/dbraw/zinc/52/86/55/1031528655.db2.gz YAYGTZAOQFYHJS-UHFFFAOYSA-N -1 0 345.497 3.563 20 0 EHADRM O=S(=O)([N-]c1cc(F)cc(Cl)c1)c1cnc2ccsc2c1 ZINC000477427890 1031542194 /nfs/dbraw/zinc/54/21/94/1031542194.db2.gz LZRXZCCUPMWQPK-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM CCOC(=O)CCc1ccc(Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC001211608052 1031548558 /nfs/dbraw/zinc/54/85/58/1031548558.db2.gz KDVGQEZMYXJSSA-UHFFFAOYSA-N -1 0 327.380 3.933 20 0 EHADRM CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000484440293 1031574792 /nfs/dbraw/zinc/57/47/92/1031574792.db2.gz NFHHJOGNKGJBBI-UHFFFAOYSA-N -1 0 341.864 3.836 20 0 EHADRM CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1ccc(CC)cc1 ZINC000484461609 1031593180 /nfs/dbraw/zinc/59/31/80/1031593180.db2.gz QAKVSIMFXCONSO-UHFFFAOYSA-N -1 0 335.473 3.745 20 0 EHADRM CC[C@H](Cc1ccc(NCc2ccc3oc(=O)oc3c2)cc1)C(=O)[O-] ZINC000904015853 1031603776 /nfs/dbraw/zinc/60/37/76/1031603776.db2.gz ZLDVQGCWUFPGMR-CQSZACIVSA-N -1 0 341.363 3.651 20 0 EHADRM CC[C@H](Cc1ccc(NCc2c(C)nc3ccccn32)cc1)C(=O)[O-] ZINC000904015716 1031604092 /nfs/dbraw/zinc/60/40/92/1031604092.db2.gz VMFMXVKRJJAATL-MRXNPFEDSA-N -1 0 337.423 3.908 20 0 EHADRM CCN=c1[n-]nc(S[C@H](CC)C(=O)c2ccc(Cl)cc2)s1 ZINC000477529069 1031633715 /nfs/dbraw/zinc/63/37/15/1031633715.db2.gz YIFOHDFCLSKJFZ-LLVKDONJSA-N -1 0 341.889 3.799 20 0 EHADRM CCCn1c(CN[C@@H](CCCC(C)C)C(=O)[O-])nc2ccccc21 ZINC000904035285 1031643558 /nfs/dbraw/zinc/64/35/58/1031643558.db2.gz BYJWHARFHAPPFR-INIZCTEOSA-N -1 0 331.460 3.815 20 0 EHADRM CCc1ncsc1[N-]S(=O)(=O)/C=C/c1ccccc1Cl ZINC000162011714 1031651438 /nfs/dbraw/zinc/65/14/38/1031651438.db2.gz RTANJCQOLCSPLF-BQYQJAHWSA-N -1 0 328.846 3.772 20 0 EHADRM C[C@@H]1COCC[C@@H]1c1noc(-c2cc(Cl)cc(Cl)c2[O-])n1 ZINC000904069453 1031722979 /nfs/dbraw/zinc/72/29/79/1031722979.db2.gz ORDVAGXOCAODGP-APPZFPTMSA-N -1 0 329.183 3.889 20 0 EHADRM CCS[C@H]1CCCC[C@H]1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000180130526 1031803946 /nfs/dbraw/zinc/80/39/46/1031803946.db2.gz JEAMWSWGXTYVIW-MNOVXSKESA-N -1 0 333.375 3.604 20 0 EHADRM COC(=O)c1coc(/C=C\c2nc3ccc(C(=O)[O-])cc3s2)c1 ZINC000431542524 1031833813 /nfs/dbraw/zinc/83/38/13/1031833813.db2.gz DJDITSZTOGRNBR-HYXAFXHYSA-N -1 0 329.333 3.545 20 0 EHADRM CC[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1cc(F)ccc1F ZINC000180055116 1031837157 /nfs/dbraw/zinc/83/71/57/1031837157.db2.gz XEOPXORSRPARPG-GFCCVEGCSA-N -1 0 345.267 3.969 20 0 EHADRM CSc1cccc(NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)c1 ZINC000904194599 1031843631 /nfs/dbraw/zinc/84/36/31/1031843631.db2.gz ICCXRSIOKFSELK-UHFFFAOYSA-N -1 0 346.452 3.915 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cn(-c3ccccc3)nc2C)c(C)s1 ZINC000180354129 1031844508 /nfs/dbraw/zinc/84/45/08/1031844508.db2.gz FLSNGXMJGJYZTR-UHFFFAOYSA-N -1 0 347.465 3.660 20 0 EHADRM O=C([O-])C1CCN(c2ccc(CNc3cccc(Cl)c3)o2)CC1 ZINC000904198417 1031846138 /nfs/dbraw/zinc/84/61/38/1031846138.db2.gz DENNJOBJUMXBFQ-UHFFFAOYSA-N -1 0 334.803 3.846 20 0 EHADRM CCc1ccc(NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)cc1F ZINC000904199713 1031848717 /nfs/dbraw/zinc/84/87/17/1031848717.db2.gz SJMLSZQWDGWGOR-UHFFFAOYSA-N -1 0 346.402 3.894 20 0 EHADRM Cc1cc(Cl)cnc1NCc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904242767 1031889644 /nfs/dbraw/zinc/88/96/44/1031889644.db2.gz QXHUZGAHPKWHGK-UHFFFAOYSA-N -1 0 349.818 3.550 20 0 EHADRM Cc1cc(C)cc([C@H]2CCN(C(=O)Cc3ccc(C(=O)[O-])cc3)C2)c1 ZINC000448995297 1032002671 /nfs/dbraw/zinc/00/26/71/1032002671.db2.gz QAEJVBRWSQLAGS-SFHVURJKSA-N -1 0 337.419 3.560 20 0 EHADRM C[C@H](C(=O)N[C@](C)(CC(=O)[O-])c1cccc(F)c1)c1cccc(F)c1 ZINC000448996946 1032003261 /nfs/dbraw/zinc/00/32/61/1032003261.db2.gz SLDKXIAGVBRRKU-HXPMCKFVSA-N -1 0 347.361 3.575 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc3cnccc3c2)CCCCCC1 ZINC000666111789 1032004718 /nfs/dbraw/zinc/00/47/18/1032004718.db2.gz AORWGJMDJHDVFP-UHFFFAOYSA-N -1 0 326.396 3.989 20 0 EHADRM CC1=C(C(=O)N[C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)CCC1 ZINC000455914194 1032017484 /nfs/dbraw/zinc/01/74/84/1032017484.db2.gz CZMITOCRPAHRGB-ZDUSSCGKSA-N -1 0 327.302 3.605 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)C2(c3ccccc3)CCCC2)C1 ZINC000195090611 1032031307 /nfs/dbraw/zinc/03/13/07/1032031307.db2.gz GARDZFVKCHFUCS-INIZCTEOSA-N -1 0 329.440 3.602 20 0 EHADRM Cc1cccc(N=c2[n-]nc(SCC(=O)C3CCCC3)s2)c1 ZINC000607757399 1033302456 /nfs/dbraw/zinc/30/24/56/1033302456.db2.gz ISFMEHHCPRQSDZ-UHFFFAOYSA-N -1 0 333.482 3.863 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccsc2)s1)c1cc2cccc(F)c2o1 ZINC000607804272 1033331284 /nfs/dbraw/zinc/33/12/84/1033331284.db2.gz DNAAABROXJHQII-UHFFFAOYSA-N -1 0 345.380 3.826 20 0 EHADRM Cc1ccc(CC(=O)[O-])cc1-c1ccc(O[C@H]2CCOC2)c(C)c1 ZINC000516194373 1033334491 /nfs/dbraw/zinc/33/44/91/1033334491.db2.gz FSWBHDOBSXYUJS-KRWDZBQOSA-N -1 0 326.392 3.765 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)c2c(C)ccc(C)c2C(=O)[O-])cc1F ZINC000326644413 1033491477 /nfs/dbraw/zinc/49/14/77/1033491477.db2.gz WCTSYGRILLEQNU-CYBMUJFWSA-N -1 0 329.371 3.940 20 0 EHADRM CCC[C@@H](C(=O)[O-])[S@@](=O)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000594658952 1033494336 /nfs/dbraw/zinc/49/43/36/1033494336.db2.gz AMAGPJOIYXSZHE-MQJDWESPSA-N -1 0 342.766 3.861 20 0 EHADRM O=S(=O)([N-]c1nc2ccccc2[nH]1)c1cccc(Cl)c1Cl ZINC000105781312 1033497637 /nfs/dbraw/zinc/49/76/37/1033497637.db2.gz DNUSKSVGHCLYHE-UHFFFAOYSA-N -1 0 342.207 3.671 20 0 EHADRM O=C([O-])CCC[S@@](=O)c1ccc(-c2cncc(C(F)F)c2)cc1 ZINC000594871951 1033527468 /nfs/dbraw/zinc/52/74/68/1033527468.db2.gz HOGPHFVXLNFZIO-HSZRJFAPSA-N -1 0 339.363 3.659 20 0 EHADRM CCc1cccc2c(CC(=O)N=c3cc(-c4ccccc4)[nH][nH]3)c[nH]c21 ZINC000598890794 1033565661 /nfs/dbraw/zinc/56/56/61/1033565661.db2.gz LVONFXMBQPLRLM-UHFFFAOYSA-N -1 0 344.418 3.724 20 0 EHADRM CCCCc1ccc(C([O-])=CS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000685575914 1033588247 /nfs/dbraw/zinc/58/82/47/1033588247.db2.gz FXKQFOVDLGPVHJ-UHFFFAOYSA-N -1 0 346.448 3.694 20 0 EHADRM Oc1ccc(-c2noc([C@@H]3Cc4cc(Cl)ccc4O3)n2)cc1F ZINC000445477944 1033610091 /nfs/dbraw/zinc/61/00/91/1033610091.db2.gz FHGXXJWEEYPBSY-AWEZNQCLSA-N -1 0 332.718 3.911 20 0 EHADRM COC(=O)c1cnc2ccc(Nc3ccc(C(=O)[O-])cc3C)cc2c1 ZINC001211626792 1033617309 /nfs/dbraw/zinc/61/73/09/1033617309.db2.gz XIRQXZIKUCWGMA-UHFFFAOYSA-N -1 0 336.347 3.772 20 0 EHADRM O=C(N[C@H](c1ccccc1)C(F)(F)F)c1c([O-])cc(F)cc1F ZINC000608373226 1033641885 /nfs/dbraw/zinc/64/18/85/1033641885.db2.gz YHTNEOYGFZNQNO-CYBMUJFWSA-N -1 0 331.240 3.704 20 0 EHADRM CCC[C@H](CC1CCCC1)C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000603446071 1033647171 /nfs/dbraw/zinc/64/71/71/1033647171.db2.gz BIJAAVYSNIVLGS-OAHLLOKOSA-N -1 0 343.427 3.965 20 0 EHADRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C)cc(F)c1 ZINC000476371863 1033675952 /nfs/dbraw/zinc/67/59/52/1033675952.db2.gz GTROJANLDQVYBA-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1C[C@H]2CCCN2c2ccccc21 ZINC000574871460 1033685694 /nfs/dbraw/zinc/68/56/94/1033685694.db2.gz ALOWGYIGIFSUGV-GFCCVEGCSA-N -1 0 346.789 3.814 20 0 EHADRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)C[C@H](C)C(C)(C)C)c1 ZINC000455958206 1033691313 /nfs/dbraw/zinc/69/13/13/1033691313.db2.gz VRGYNBWDQHYJTJ-DJJJIMSYSA-N -1 0 335.444 3.574 20 0 EHADRM CC(C)c1ccc(S(=O)(=O)[N-]c2cc(CC(C)(C)C)nn2C)cc1 ZINC000595128742 1033705755 /nfs/dbraw/zinc/70/57/55/1033705755.db2.gz HZBCQPKGSJGOQU-UHFFFAOYSA-N -1 0 349.500 3.933 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000005260063 1033776596 /nfs/dbraw/zinc/77/65/96/1033776596.db2.gz QEZOZSCLMLVLBS-UHFFFAOYSA-N -1 0 332.208 3.803 20 0 EHADRM CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1ccccc1Oc1ccccc1 ZINC000780515280 1033834956 /nfs/dbraw/zinc/83/49/56/1033834956.db2.gz ZCUJYOUCNWBVQF-AWEZNQCLSA-N -1 0 342.395 3.656 20 0 EHADRM CC[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C(C)=O)cc1)c1ccccc1 ZINC000046929546 1033900119 /nfs/dbraw/zinc/90/01/19/1033900119.db2.gz SSEVVZKJYVWJPS-KRWDZBQOSA-N -1 0 345.420 3.728 20 0 EHADRM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000550711807 1033905553 /nfs/dbraw/zinc/90/55/53/1033905553.db2.gz BDECYNYJFWIANS-BBRMVZONSA-N -1 0 345.418 3.758 20 0 EHADRM O=C([O-])c1csc(NC(=O)CCc2nc3ccccc3s2)c1 ZINC000191325715 1033963780 /nfs/dbraw/zinc/96/37/80/1033963780.db2.gz KHDMAKIVWJWOPH-UHFFFAOYSA-N -1 0 332.406 3.627 20 0 EHADRM CSCCc1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000609015914 1033976018 /nfs/dbraw/zinc/97/60/18/1033976018.db2.gz MZUALLHFTBXWGU-UHFFFAOYSA-N -1 0 343.420 3.671 20 0 EHADRM O=c1nc(-c2ccc([O-])c(Cl)c2)[nH]c2sc3c(c21)CCCC3 ZINC000055491418 1033976969 /nfs/dbraw/zinc/97/69/69/1033976969.db2.gz MZIPXZIXAYXCQP-UHFFFAOYSA-N -1 0 332.812 3.889 20 0 EHADRM Cc1ccc(CSCCN=c2nc(C3CCOCC3)[n-]s2)cc1 ZINC000596059231 1034063346 /nfs/dbraw/zinc/06/33/46/1034063346.db2.gz NNLMPLGABSNUCG-UHFFFAOYSA-N -1 0 349.525 3.508 20 0 EHADRM C[C@H](Oc1[n-]ncc(=O)c1Cl)c1c(F)cccc1Br ZINC001228390418 1034090514 /nfs/dbraw/zinc/09/05/14/1034090514.db2.gz MPPSVAQVLXSGHB-LURJTMIESA-N -1 0 347.571 3.877 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccco2)s1)N1CCC[C@]2(CC=CCC2)C1 ZINC000603972182 1034107095 /nfs/dbraw/zinc/10/70/95/1034107095.db2.gz WUAVPICZNULOEO-QGZVFWFLSA-N -1 0 344.440 3.574 20 0 EHADRM O=C(Nc1nnc(C2CC2)s1)c1cc(-c2ccccc2Cl)on1 ZINC000550743413 1034128318 /nfs/dbraw/zinc/12/83/18/1034128318.db2.gz QHSHRDFNXMVLBF-UHFFFAOYSA-N -1 0 346.799 3.976 20 0 EHADRM CCO[C@@H](C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1)c1ccccc1 ZINC000255680981 1034153097 /nfs/dbraw/zinc/15/30/97/1034153097.db2.gz MYIKTPAWNAAROH-ADYSOMBNSA-N -1 0 325.364 3.501 20 0 EHADRM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000781050051 1034300987 /nfs/dbraw/zinc/30/09/87/1034300987.db2.gz RXOZHPWHFPLCPG-WCBMZHEXSA-N -1 0 344.358 3.920 20 0 EHADRM O=C(Nc1scnc1C1CC1)c1cccc(Br)c1[O-] ZINC000534265091 1034325663 /nfs/dbraw/zinc/32/56/63/1034325663.db2.gz GGGLGSCBZAZMEN-UHFFFAOYSA-N -1 0 339.214 3.741 20 0 EHADRM CCC1(CC)CCN(C(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])C1 ZINC000612206394 1034480275 /nfs/dbraw/zinc/48/02/75/1034480275.db2.gz DSFYVHHVVQHACI-UHFFFAOYSA-N -1 0 349.381 3.508 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C)OCc2ccccc2)cc(C(=O)[O-])c1C ZINC000302992410 1034482577 /nfs/dbraw/zinc/48/25/77/1034482577.db2.gz FVMOICULXRCGDX-CQSZACIVSA-N -1 0 327.380 3.545 20 0 EHADRM CC(C)c1n[n-]c(=N[C@H](C)c2ccc(Br)cc2F)o1 ZINC000450530027 1034489227 /nfs/dbraw/zinc/48/92/27/1034489227.db2.gz BQECWUFIEYTZQS-MRVPVSSYSA-N -1 0 328.185 3.690 20 0 EHADRM COc1cccc([C@@H]2CN(C(=O)c3cc(F)ccc3O)CC2(C)C)c1 ZINC000529728468 1034493353 /nfs/dbraw/zinc/49/33/53/1034493353.db2.gz OSQFHOYARLQFDB-KRWDZBQOSA-N -1 0 343.398 3.806 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-] ZINC000597027242 1034503664 /nfs/dbraw/zinc/50/36/64/1034503664.db2.gz XFRUPJIXQDRZDG-GHMZBOCLSA-N -1 0 339.457 3.526 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1O ZINC000511326184 1034519501 /nfs/dbraw/zinc/51/95/01/1034519501.db2.gz MUNLYHQMGMKREF-UHFFFAOYSA-N -1 0 348.207 3.508 20 0 EHADRM COC1(CSc2n[n-]c(=Nc3ccccc3F)s2)CCC1 ZINC000450631928 1034621406 /nfs/dbraw/zinc/62/14/06/1034621406.db2.gz JABGDISDWIFBQP-UHFFFAOYSA-N -1 0 325.434 3.504 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)C=Cc2cccc(F)c2)cc1C ZINC000060498167 1034628105 /nfs/dbraw/zinc/62/81/05/1034628105.db2.gz XHCNXUNAJIUGQC-VQHVLOKHSA-N -1 0 333.384 3.801 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000456694651 1034661170 /nfs/dbraw/zinc/66/11/70/1034661170.db2.gz NDCJZDXFMFAFJB-HNNXBMFYSA-N -1 0 339.370 3.775 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCC[C@]2(CCOC2)C1 ZINC000456699559 1034668380 /nfs/dbraw/zinc/66/83/80/1034668380.db2.gz SNSQHOUUXYEREK-IBGZPJMESA-N -1 0 345.826 3.842 20 0 EHADRM CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1N=c1[n-]nc(C2CC2)s1 ZINC000343815039 1034705240 /nfs/dbraw/zinc/70/52/40/1034705240.db2.gz SCHHDOYBXFUCJJ-HRCADAONSA-N -1 0 329.469 3.601 20 0 EHADRM O=C([O-])[C@H](CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)Cc1ccccc1 ZINC000431646222 1034771364 /nfs/dbraw/zinc/77/13/64/1034771364.db2.gz VLZARGSKJUVZPU-OKYOBFRVSA-N -1 0 343.467 3.653 20 0 EHADRM [O-]c1c(Cl)cccc1-c1nc(CCn2cnc3ccccc32)no1 ZINC000761371230 1034815160 /nfs/dbraw/zinc/81/51/60/1034815160.db2.gz GVGODBHYRZYRTF-UHFFFAOYSA-N -1 0 340.770 3.688 20 0 EHADRM Cc1cnn(-c2ccc(NC(=O)c3c([O-])cc(F)cc3F)cc2F)c1 ZINC000605889045 1034839096 /nfs/dbraw/zinc/83/90/96/1034839096.db2.gz FWIAOPIHGRNMIS-UHFFFAOYSA-N -1 0 347.296 3.556 20 0 EHADRM CCOc1ccc(OC(C)(C)C(=O)Nc2cccc(F)c2O)cc1 ZINC000530007630 1034853531 /nfs/dbraw/zinc/85/35/31/1034853531.db2.gz ZCCYXCFDOOYWBD-UHFFFAOYSA-N -1 0 333.359 3.726 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCC(F)(c2cccnc2)CC1 ZINC000375895414 1034853808 /nfs/dbraw/zinc/85/38/08/1034853808.db2.gz MILQRELIRRFCFV-UHFFFAOYSA-N -1 0 334.778 3.542 20 0 EHADRM Cc1cc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])nc2ccccc12 ZINC000431652198 1034880990 /nfs/dbraw/zinc/88/09/90/1034880990.db2.gz ATVFHOZLSLTHNE-KUHUBIRLSA-N -1 0 348.402 3.735 20 0 EHADRM CCn1cc([C@@H](C)N=c2[n-]nc(Cc3ccc(Cl)cc3)s2)cn1 ZINC000450868885 1034884390 /nfs/dbraw/zinc/88/43/90/1034884390.db2.gz AHQXYBHNBLPQJW-LLVKDONJSA-N -1 0 347.875 3.594 20 0 EHADRM C[C@@H](Cc1ccc(-c2cccc(CO[C@@H]3CCOC3)c2)cc1)C(=O)[O-] ZINC000569942785 1034906546 /nfs/dbraw/zinc/90/65/46/1034906546.db2.gz XGGQAUZPWDWFLL-MGPUTAFESA-N -1 0 340.419 3.922 20 0 EHADRM Cc1ccc(C)c([C@H]2CCCN2C(=O)c2ccc3oc(=O)nc-3[n-]2)c1 ZINC000612428797 1034921797 /nfs/dbraw/zinc/92/17/97/1034921797.db2.gz TXVBQRRUPRAIHE-OAHLLOKOSA-N -1 0 337.379 3.523 20 0 EHADRM CC(C)(C)C1CCC(CNC(=O)c2ccc3oc(=O)nc-3[n-]2)CC1 ZINC000612508403 1035014461 /nfs/dbraw/zinc/01/44/61/1035014461.db2.gz SUKXQKVNBIFKFH-UHFFFAOYSA-N -1 0 331.416 3.511 20 0 EHADRM O=C([O-])/C=C/c1cnc(/C=C/c2cn3cc(Cl)ccc3n2)s1 ZINC000177449058 1035143062 /nfs/dbraw/zinc/14/30/62/1035143062.db2.gz MOICCZHCVMVGJI-BUSIMMOISA-N -1 0 331.784 3.712 20 0 EHADRM CCC(C)(C)CNC(=O)C[C@@](C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000414069221 1035438778 /nfs/dbraw/zinc/43/87/78/1035438778.db2.gz BMXYFGNBOJDRLF-QGZVFWFLSA-N -1 0 325.836 3.625 20 0 EHADRM Cc1cc(C)c2cc(C(=O)N=c3[n-]nc(CC(C)C)s3)sc2n1 ZINC000613237727 1035469279 /nfs/dbraw/zinc/46/92/79/1035469279.db2.gz ZWVJVJOGFXHZEW-UHFFFAOYSA-N -1 0 346.481 3.637 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2ccc(C)nc2)cc1Cl ZINC000185632212 1035504205 /nfs/dbraw/zinc/50/42/05/1035504205.db2.gz TVJSGRFKJRBDDP-UHFFFAOYSA-N -1 0 328.846 3.566 20 0 EHADRM O=C([O-])CC1(CC(=O)NCc2coc3ccccc23)CCCCC1 ZINC000414103488 1035514773 /nfs/dbraw/zinc/51/47/73/1035514773.db2.gz UNDSZEHIDPKULF-UHFFFAOYSA-N -1 0 329.396 3.864 20 0 EHADRM CCCc1nc(=NC(=O)c2sc(C)nc2-c2ccccc2)s[n-]1 ZINC000547383987 1035521067 /nfs/dbraw/zinc/52/10/67/1035521067.db2.gz ILAKJNSNCCUACH-UHFFFAOYSA-N -1 0 344.465 3.597 20 0 EHADRM CC(C)Oc1ccccc1[C@@H](C)NC(=O)c1cccc(C(=O)[O-])c1 ZINC000540666806 1035557214 /nfs/dbraw/zinc/55/72/14/1035557214.db2.gz PUVROYUXJFABSP-CYBMUJFWSA-N -1 0 327.380 3.663 20 0 EHADRM O=C([O-])[C@H]1CCCN1C(=O)Nc1cccc(CSC2CCCC2)c1 ZINC000571602493 1035562297 /nfs/dbraw/zinc/56/22/97/1035562297.db2.gz UHHCHUHPNWYKPG-MRXNPFEDSA-N -1 0 348.468 3.943 20 0 EHADRM Cc1ccc2oc(C(=O)N[C@@H](CC(=O)[O-])C3CCCCC3)cc2c1 ZINC000540702467 1035582482 /nfs/dbraw/zinc/58/24/82/1035582482.db2.gz VANOHJLSJXZXMH-HNNXBMFYSA-N -1 0 329.396 3.895 20 0 EHADRM COc1c(C)cc(S(=O)(=O)[N-]c2ncsc2C(C)C)cc1C ZINC000571676605 1035586370 /nfs/dbraw/zinc/58/63/70/1035586370.db2.gz FZIQBOHQTZLJFC-UHFFFAOYSA-N -1 0 340.470 3.693 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc2cc(F)ccc2o1)C1CCCCC1 ZINC000540713083 1035618662 /nfs/dbraw/zinc/61/86/62/1035618662.db2.gz LLHJOKJSXHFGFF-AWEZNQCLSA-N -1 0 333.359 3.725 20 0 EHADRM O=C(c1nn(-c2cccc(Cl)c2)cc1[O-])N1CC2(C1)CCCCC2 ZINC000613342461 1035623404 /nfs/dbraw/zinc/62/34/04/1035623404.db2.gz GRYTWVAWZNAWRI-UHFFFAOYSA-N -1 0 345.830 3.638 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000540775264 1035672548 /nfs/dbraw/zinc/67/25/48/1035672548.db2.gz JJHHWQWUCNUQET-OAHLLOKOSA-N -1 0 349.446 3.936 20 0 EHADRM CC1(C)Cc2cccc(CN=c3[n-]nc(CC4CCCC4)o3)c2O1 ZINC000540793278 1035685960 /nfs/dbraw/zinc/68/59/60/1035685960.db2.gz MSAJKSDJOIZHGP-UHFFFAOYSA-N -1 0 327.428 3.550 20 0 EHADRM Cc1nc2ccccn2c1CN=c1[n-]nc(C[C@H](C)CC(C)(C)C)o1 ZINC000540792452 1035686468 /nfs/dbraw/zinc/68/64/68/1035686468.db2.gz HBRJZLOJOHPTLU-ZDUSSCGKSA-N -1 0 341.459 3.675 20 0 EHADRM c1ccc(-c2noc(=NC[C@@H]3CCCO[C@H]3c3ccccc3)[n-]2)cc1 ZINC000588162337 1035734729 /nfs/dbraw/zinc/73/47/29/1035734729.db2.gz URKBXLMUZZMUKO-ROUUACIJSA-N -1 0 335.407 3.738 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)NCCc1ccc(F)cc1)C1CCCCC1 ZINC000588176253 1035800758 /nfs/dbraw/zinc/80/07/58/1035800758.db2.gz OKTXIPNFLDIMCT-LJQANCHMSA-N -1 0 335.419 3.546 20 0 EHADRM O=C(Nc1cc(Br)cc(Cl)c1[O-])[C@@H]1C[C@H]1C1CC1 ZINC000534940678 1035812810 /nfs/dbraw/zinc/81/28/10/1035812810.db2.gz SERZQGNPZXFWOR-DTWKUNHWSA-N -1 0 330.609 3.793 20 0 EHADRM CC[C@@H](C)[C@H]1CCCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000540928056 1035817969 /nfs/dbraw/zinc/81/79/69/1035817969.db2.gz GMDHWLDBZKKWQL-CZUORRHYSA-N -1 0 345.418 3.758 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)CCCc2ccc3c(c2)CCCC3)C1 ZINC000653277870 1035848469 /nfs/dbraw/zinc/84/84/69/1035848469.db2.gz YXRQBTGGVMWFNO-QGZVFWFLSA-N -1 0 343.467 3.601 20 0 EHADRM CC[C@H]1CCCC[C@@H]1NC(=O)c1cnc2cc(F)c(F)cc2c1O ZINC000892546096 1035878119 /nfs/dbraw/zinc/87/81/19/1035878119.db2.gz BBGZKIRFVRXAJB-BONVTDFDSA-N -1 0 334.366 3.505 20 0 EHADRM COc1ccc(C2(C(=O)Nc3ccc(F)c(F)c3[O-])CCC2)cc1 ZINC000457286344 1035917500 /nfs/dbraw/zinc/91/75/00/1035917500.db2.gz FHQZDTBQAMENSF-UHFFFAOYSA-N -1 0 333.334 3.739 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccccc2F)cc1OCC(F)F ZINC000588632323 1035922096 /nfs/dbraw/zinc/92/20/96/1035922096.db2.gz IOHHXVTZOLSZJM-UHFFFAOYSA-N -1 0 345.342 3.579 20 0 EHADRM Cc1ccccc1[C@@H]1CN(C(=O)c2ccc([O-])c(Cl)c2)[C@@H](C)CO1 ZINC000174346080 1035937231 /nfs/dbraw/zinc/93/72/31/1035937231.db2.gz FPINPSJPGPZCHH-UGSOOPFHSA-N -1 0 345.826 3.956 20 0 EHADRM C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)C(=O)[O-] ZINC000164859479 1035977728 /nfs/dbraw/zinc/97/77/28/1035977728.db2.gz XUIBECOXWZXNSY-CHWSQXEVSA-N -1 0 339.391 3.634 20 0 EHADRM C[C@@H]1CN(C(=O)c2cccc(Br)c2[O-])[C@@H]2CCCC[C@H]21 ZINC000541132383 1036023064 /nfs/dbraw/zinc/02/30/64/1036023064.db2.gz PAEPKUGHBTXBHN-UHIISALHSA-N -1 0 338.245 3.805 20 0 EHADRM CC(C)(C)c1nnc(NC(=O)c2csc(C(F)(F)F)n2)s1 ZINC000189201046 1036031192 /nfs/dbraw/zinc/03/11/92/1036031192.db2.gz DNFPFHNQDVQLQC-UHFFFAOYSA-N -1 0 336.364 3.563 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CCC(=O)N[C@H](CC(=O)[O-])c2ccccc2)o1 ZINC000327295465 1036035491 /nfs/dbraw/zinc/03/54/91/1036035491.db2.gz OIMDQCQHEFNKNP-KBRIMQKVSA-N -1 0 341.407 3.668 20 0 EHADRM Cc1c(-c2ccc(C3(CO)CC3)cc2)c2ccccc2n1CC(=O)[O-] ZINC000572180273 1036035624 /nfs/dbraw/zinc/03/56/24/1036035624.db2.gz STQXUFYYYLZHCE-UHFFFAOYSA-N -1 0 335.403 3.725 20 0 EHADRM CC(C)(C)OC(=O)CCCCCNC(=O)c1ccc([O-])c(Cl)c1 ZINC000174817385 1036099573 /nfs/dbraw/zinc/09/95/73/1036099573.db2.gz KZZOWHQRYYLNRO-UHFFFAOYSA-N -1 0 341.835 3.678 20 0 EHADRM c1ccc(CCN=c2[n-]nc(SCCC3CCOCC3)s2)cc1 ZINC000549035964 1036102568 /nfs/dbraw/zinc/10/25/68/1036102568.db2.gz LEOFOOVRQIIFGI-UHFFFAOYSA-N -1 0 349.525 3.523 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H]1C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000321646467 1036108903 /nfs/dbraw/zinc/10/89/03/1036108903.db2.gz KGUYONTWIPBEIG-GJZGRUSLSA-N -1 0 349.477 3.839 20 0 EHADRM CCOc1ccc(S(=O)(=O)Nc2cccc3c2ccn3C)c(C)c1 ZINC000588833850 1036132600 /nfs/dbraw/zinc/13/26/00/1036132600.db2.gz UFBTWSLUHGXKQA-UHFFFAOYSA-N -1 0 344.436 3.686 20 0 EHADRM Cc1ccc(C(=O)N=c2[n-]nc(Cc3cccc(Cl)c3)s2)s1 ZINC000464356540 1036368895 /nfs/dbraw/zinc/36/88/95/1036368895.db2.gz PPAUDVHOUZVOBY-UHFFFAOYSA-N -1 0 349.868 3.826 20 0 EHADRM CC(C)(C)[C@H](NC(=O)N=c1ncn(C(C)(C)C)[n-]1)c1cccc(F)c1 ZINC000541504193 1036384647 /nfs/dbraw/zinc/38/46/47/1036384647.db2.gz QWUCEVHNUMAMIY-CQSZACIVSA-N -1 0 347.438 3.503 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])o1)c1ccc(-c2cccnc2)cc1 ZINC000191646155 1036403111 /nfs/dbraw/zinc/40/31/11/1036403111.db2.gz LIQXXKVRHSZKFH-GFCCVEGCSA-N -1 0 336.347 3.531 20 0 EHADRM Cc1nc(=NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)s[n-]1 ZINC000464418650 1036423038 /nfs/dbraw/zinc/42/30/38/1036423038.db2.gz HJVLNPZCKGHRMO-UHFFFAOYSA-N -1 0 335.841 3.903 20 0 EHADRM CCc1cnc([N-]S(=O)(=O)c2ccc(SC)c(Cl)c2)s1 ZINC000464404052 1036428874 /nfs/dbraw/zinc/42/88/74/1036428874.db2.gz OWHBGUSHNGIRJK-UHFFFAOYSA-N -1 0 348.902 3.882 20 0 EHADRM O=S(=O)([N-]c1cncc2ccccc21)c1ccc(F)cc1Cl ZINC000535386696 1036431286 /nfs/dbraw/zinc/43/12/86/1036431286.db2.gz CTOAYJHTUBQOOL-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM C/C=C\C[C@H](NC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1)C(=O)[O-] ZINC000572702899 1036459485 /nfs/dbraw/zinc/45/94/85/1036459485.db2.gz DZDOXSLDTWNEDU-FJOGCWAESA-N -1 0 345.399 3.666 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000261947143 1036460903 /nfs/dbraw/zinc/46/09/03/1036460903.db2.gz VUOWSEWMOZMFNJ-BNOWGMLFSA-N -1 0 341.329 3.563 20 0 EHADRM CC(=O)N1CCc2cc(NC(=O)Nc3ccc(O)c(Cl)c3)ccc21 ZINC000192185255 1036484897 /nfs/dbraw/zinc/48/48/97/1036484897.db2.gz MOYVBZLKBMZIJO-UHFFFAOYSA-N -1 0 345.786 3.599 20 0 EHADRM O=C([O-])CCc1cc(F)ccc1-c1cccc(CO[C@@H]2CCOC2)c1 ZINC000572781548 1036496511 /nfs/dbraw/zinc/49/65/11/1036496511.db2.gz TUVBWPXQXVQGAA-GOSISDBHSA-N -1 0 344.382 3.815 20 0 EHADRM O=C(N[C@H]1CCOc2c(F)cccc21)c1cc(F)c([O-])c(Cl)c1 ZINC000192622795 1036517064 /nfs/dbraw/zinc/51/70/64/1036517064.db2.gz QTDOHXIZIDPBCN-ZDUSSCGKSA-N -1 0 339.725 3.577 20 0 EHADRM CCCc1nc(C)c(CNC(=O)c2cccc(C(F)(F)F)c2[O-])o1 ZINC000572898497 1036532362 /nfs/dbraw/zinc/53/23/62/1036532362.db2.gz BMJHOSQRDJCUMG-UHFFFAOYSA-N -1 0 342.317 3.590 20 0 EHADRM CC(C)(CCc1ccccc1)[N-]S(=O)(=O)c1c(F)cccc1F ZINC000589629994 1036564862 /nfs/dbraw/zinc/56/48/62/1036564862.db2.gz MXCFZGNHORFKRA-UHFFFAOYSA-N -1 0 339.407 3.655 20 0 EHADRM O=C(Nc1cc(Cl)cc(Br)c1[O-])c1ccc(F)cn1 ZINC000183788191 1036595395 /nfs/dbraw/zinc/59/53/95/1036595395.db2.gz DZCHFQZBKRNXDQ-UHFFFAOYSA-N -1 0 345.555 3.595 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)[C@@H](C)C3(C)CC3)n2)c1 ZINC000176331050 1036602528 /nfs/dbraw/zinc/60/25/28/1036602528.db2.gz NYMXVUVFTTVGBB-AWEZNQCLSA-N -1 0 341.455 3.962 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2CCC[C@H](c3ccccc3)CC2)s1 ZINC000589711989 1036605239 /nfs/dbraw/zinc/60/52/39/1036605239.db2.gz ZLCMTWMEFADSFL-HNNXBMFYSA-N -1 0 344.484 3.714 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2CCC[C@@H](c3ccccc3)CC2)s1 ZINC000589711992 1036605605 /nfs/dbraw/zinc/60/56/05/1036605605.db2.gz ZLCMTWMEFADSFL-OAHLLOKOSA-N -1 0 344.484 3.714 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000263199005 1036625689 /nfs/dbraw/zinc/62/56/89/1036625689.db2.gz YKNBBDCRWSYDFV-GHMZBOCLSA-N -1 0 333.771 3.535 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(Cc2csc(-c3cccs3)n2)C1 ZINC000263215484 1036638062 /nfs/dbraw/zinc/63/80/62/1036638062.db2.gz ZVESWVRWRWNLOV-GFCCVEGCSA-N -1 0 336.482 3.948 20 0 EHADRM O=C(Nc1ccc(OCC2CC2)cc1)c1cc(F)c(F)c([O-])c1F ZINC000186340880 1036719785 /nfs/dbraw/zinc/71/97/85/1036719785.db2.gz JUJKXSLIPQZCFO-UHFFFAOYSA-N -1 0 337.297 3.851 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(C)nc2)onc1C1CCCCC1 ZINC000685914084 1036758387 /nfs/dbraw/zinc/75/83/87/1036758387.db2.gz AJIGSRDKYZKYMY-UHFFFAOYSA-N -1 0 335.429 3.535 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2nc3cc(Cl)cc(Cl)c3o2)C1 ZINC000263290473 1036758980 /nfs/dbraw/zinc/75/89/80/1036758980.db2.gz YQYVDWKFEIQWSR-HTQZYQBOSA-N -1 0 329.183 3.682 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)c1 ZINC000263325355 1036778296 /nfs/dbraw/zinc/77/82/96/1036778296.db2.gz ONYFRUMDVVRGDJ-LTBCBRHQSA-N -1 0 335.403 3.717 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCC[C@@H]2Cc2cccc(F)c2)c1 ZINC000263332705 1036794502 /nfs/dbraw/zinc/79/45/02/1036794502.db2.gz QFDLKUKQXHJKDT-GOSISDBHSA-N -1 0 341.382 3.680 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)N[C@@H](CC(=O)[O-])c1ccccc1C ZINC000263352001 1036802202 /nfs/dbraw/zinc/80/22/02/1036802202.db2.gz VVFXVOHZDZNJSO-ROUUACIJSA-N -1 0 347.455 3.755 20 0 EHADRM CCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(CC)cc2)cc1 ZINC000008107477 1036807053 /nfs/dbraw/zinc/80/70/53/1036807053.db2.gz UXAYOYBRWIBEHL-UHFFFAOYSA-N -1 0 347.436 3.617 20 0 EHADRM CC[C@@H](C)N(Cc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263374394 1036821232 /nfs/dbraw/zinc/82/12/32/1036821232.db2.gz ZVPAPHFPVVBXAL-OAHLLOKOSA-N -1 0 340.423 3.895 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cn2)c1F ZINC000541936720 1036860238 /nfs/dbraw/zinc/86/02/38/1036860238.db2.gz ZAVWLBUCKIPCGW-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CC(C)(C)Cc1csc([N-]S(=O)(=O)c2c(F)cccc2F)n1 ZINC000539556099 1036908400 /nfs/dbraw/zinc/90/84/00/1036908400.db2.gz SVHOAMJVFXNORR-UHFFFAOYSA-N -1 0 346.424 3.811 20 0 EHADRM O=S(=O)(Cc1ccccc1F)[N-]c1ncccc1-c1ccccc1 ZINC000186634025 1036912370 /nfs/dbraw/zinc/91/23/70/1036912370.db2.gz BBPLIJPDXBIVEB-UHFFFAOYSA-N -1 0 342.395 3.830 20 0 EHADRM CCOC(=O)c1csc(=N[C@H](C)c2cccc(C(F)(F)F)c2)[n-]1 ZINC000590568592 1036952127 /nfs/dbraw/zinc/95/21/27/1036952127.db2.gz IOJGEMNWAVZUKN-SECBINFHSA-N -1 0 344.358 3.934 20 0 EHADRM CN(C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1)[C@@H]1CCC(C)(C)C1 ZINC000263490494 1036988777 /nfs/dbraw/zinc/98/87/77/1036988777.db2.gz QZUOYOHBRIQALN-DLBZAZTESA-N -1 0 346.471 3.683 20 0 EHADRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)Cc1ccc2ccccc2c1 ZINC000263501551 1037014352 /nfs/dbraw/zinc/01/43/52/1037014352.db2.gz ZCLZMGIAFXPOED-MSOLQXFVSA-N -1 0 325.408 3.532 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N[C@@H](C)c1nc2ccccc2n1C(C)C ZINC000653282557 1037028977 /nfs/dbraw/zinc/02/89/77/1037028977.db2.gz BBKNGXCYJAQEOJ-ZDUSSCGKSA-N -1 0 345.443 3.685 20 0 EHADRM O=C([O-])C1CCC(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000263526564 1037041238 /nfs/dbraw/zinc/04/12/38/1037041238.db2.gz KEISTTKIXXSCLD-JIARVOFWSA-N -1 0 341.451 3.672 20 0 EHADRM Cc1ccc(CCN=c2[n-]nc(-c3ccccc3Cl)s2)cn1 ZINC000546887612 1037052691 /nfs/dbraw/zinc/05/26/91/1037052691.db2.gz AMPPNNCPHRQMET-UHFFFAOYSA-N -1 0 330.844 3.638 20 0 EHADRM Cc1cccc(C2(NC(=O)Cc3cccc(C(=O)[O-])c3)CCCC2)c1 ZINC000539679973 1037074307 /nfs/dbraw/zinc/07/43/07/1037074307.db2.gz ZJQSCFAHFFUPIB-UHFFFAOYSA-N -1 0 337.419 3.821 20 0 EHADRM O=C([O-])[C@@H]1CCCCCN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000083883069 1037083342 /nfs/dbraw/zinc/08/33/42/1037083342.db2.gz RSUZLEDEMCPRAU-LBPRGKRZSA-N -1 0 331.199 3.855 20 0 EHADRM CC(C)Cc1n[n-]c(=NCc2cc(Br)ccc2Cl)o1 ZINC000539694089 1037086020 /nfs/dbraw/zinc/08/60/20/1037086020.db2.gz TUZZRGTXVBYJRL-UHFFFAOYSA-N -1 0 344.640 3.718 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)[N-]OCCC(F)(F)F ZINC000162968391 1037091336 /nfs/dbraw/zinc/09/13/36/1037091336.db2.gz POPSJRYPJNNQHD-MRVPVSSYSA-N -1 0 327.755 3.821 20 0 EHADRM CC(C)CCn1ccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)n1 ZINC000780397620 1037150519 /nfs/dbraw/zinc/15/05/19/1037150519.db2.gz FNEZFLPFVOZNGC-UHFFFAOYSA-N -1 0 343.399 3.668 20 0 EHADRM CC(C)C[C@H](C)NC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666538792 1037194808 /nfs/dbraw/zinc/19/48/08/1037194808.db2.gz PWOJOSWBABELGX-AWEZNQCLSA-N -1 0 332.444 3.708 20 0 EHADRM CCN(C(=O)NCc1cccc(C(=O)[O-])c1)[C@H](C)c1ccc(F)cc1 ZINC000666566494 1037213344 /nfs/dbraw/zinc/21/33/44/1037213344.db2.gz PVWNZEOTCGVMKB-CYBMUJFWSA-N -1 0 344.386 3.817 20 0 EHADRM Cc1ccccc1[C@@H]1CCCN1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000666565842 1037214925 /nfs/dbraw/zinc/21/49/25/1037214925.db2.gz BOGWLIMQODDXBC-SFHVURJKSA-N -1 0 338.407 3.740 20 0 EHADRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000303206274 1037216812 /nfs/dbraw/zinc/21/68/12/1037216812.db2.gz PWCJZBIBAJLPNU-UHFFFAOYSA-N -1 0 347.770 3.818 20 0 EHADRM COCCOc1cccc(-c2ccccc2O[C@@H](C(=O)[O-])C(C)C)c1 ZINC000573105030 1037307605 /nfs/dbraw/zinc/30/76/05/1037307605.db2.gz XJJDXQAUGLSFFZ-LJQANCHMSA-N -1 0 344.407 3.867 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)c1 ZINC000659126745 1037314133 /nfs/dbraw/zinc/31/41/33/1037314133.db2.gz ONQXEJCFYGQWMQ-MJQMVNBJSA-N -1 0 345.439 3.544 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000659133108 1037354566 /nfs/dbraw/zinc/35/45/66/1037354566.db2.gz LASJSAIBBFNBQQ-CYZMBNFOSA-N -1 0 329.421 3.652 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)C[C@]12CCCC[C@H]1C2(F)F ZINC000659152838 1037376728 /nfs/dbraw/zinc/37/67/28/1037376728.db2.gz RQRDVUJYOQXGOO-JJRVBVJISA-N -1 0 343.414 3.742 20 0 EHADRM CCC1(C(=O)N2CC[C@](C(=O)[O-])(C(C)C)C2)CCC(F)(F)CC1 ZINC000659151213 1037378470 /nfs/dbraw/zinc/37/84/70/1037378470.db2.gz JXXWMOXXJURJJN-MRXNPFEDSA-N -1 0 331.403 3.551 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(C(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000659157253 1037395248 /nfs/dbraw/zinc/39/52/48/1037395248.db2.gz RINOSLOVJSMYPP-QRQLOZEOSA-N -1 0 341.451 3.602 20 0 EHADRM C[C@@]1(Cc2ccccc2Cl)CCCN1C(=O)CC1(C(=O)[O-])CCC1 ZINC000659172952 1037412183 /nfs/dbraw/zinc/41/21/83/1037412183.db2.gz MBXQFUGZJUEZRT-SFHVURJKSA-N -1 0 349.858 3.909 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3ccccc3o2)[C@@H]2CCCC[C@H]12 ZINC000659190902 1037443453 /nfs/dbraw/zinc/44/34/53/1037443453.db2.gz VNVQCDPHWYDJQP-RBSFLKMASA-N -1 0 327.380 3.538 20 0 EHADRM CCC[C@@H](NC(=O)N=c1[n-]nc(C(CC)CC)s1)c1ccccn1 ZINC000591482306 1037444808 /nfs/dbraw/zinc/44/48/08/1037444808.db2.gz DNUIFHDXSKTDNE-CQSZACIVSA-N -1 0 347.488 3.922 20 0 EHADRM Cc1ccc(OCCCC(=O)[N-]S(=O)(=O)C2CCCCC2)cc1 ZINC000058070104 1037448824 /nfs/dbraw/zinc/44/88/24/1037448824.db2.gz GAADNGQHOKRWDC-UHFFFAOYSA-N -1 0 339.457 3.773 20 0 EHADRM Cc1ccc(SCC(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)cc1 ZINC000659196846 1037454896 /nfs/dbraw/zinc/45/48/96/1037454896.db2.gz YEAKDMKHMCKJLO-YESZJQIVSA-N -1 0 347.480 3.579 20 0 EHADRM O=C([N-][C@H](c1cccc(Cl)c1)c1ccccn1)C(F)(F)C(F)F ZINC000760835163 1037457798 /nfs/dbraw/zinc/45/77/98/1037457798.db2.gz DVZILNUCUGNKCK-GFCCVEGCSA-N -1 0 346.711 3.841 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCCc2cccs2)[C@@H]2CCCC[C@H]12 ZINC000659192154 1037459408 /nfs/dbraw/zinc/45/94/08/1037459408.db2.gz GBEIJRCPTFGQPM-BZUAXINKSA-N -1 0 335.469 3.563 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccnn2-c2ccccc2C)c1 ZINC000303512353 1037497143 /nfs/dbraw/zinc/49/71/43/1037497143.db2.gz BRQBDYVRKKLILG-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000659234575 1037549027 /nfs/dbraw/zinc/54/90/27/1037549027.db2.gz AKMHXWFBRKVQHN-WIRSXHRWSA-N -1 0 337.419 3.703 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)CCc1ccc(-c2ccccc2)o1 ZINC000659237065 1037550684 /nfs/dbraw/zinc/55/06/84/1037550684.db2.gz WSLMCHBJVWUPDH-PXNSSMCTSA-N -1 0 341.407 3.639 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)CCCc1csc2ccccc12 ZINC000659239033 1037556936 /nfs/dbraw/zinc/55/69/36/1037556936.db2.gz QPDLVGUCVXCGQW-QFBILLFUSA-N -1 0 345.464 3.984 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2c(C)cc(Br)cc2C)o1 ZINC000540203959 1037680865 /nfs/dbraw/zinc/68/08/65/1037680865.db2.gz DLHCEYUIGGTYAY-UHFFFAOYSA-N -1 0 344.230 3.768 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)CSc1n[n-]c(=S)s1 ZINC000913741793 1037708830 /nfs/dbraw/zinc/70/88/30/1037708830.db2.gz QBKMNLZMHOKNIO-UHFFFAOYSA-N -1 0 339.511 3.855 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1ccccc1CC(F)(F)F ZINC000172901627 1037737321 /nfs/dbraw/zinc/73/73/21/1037737321.db2.gz YEGPWRMBHPVMDC-UHFFFAOYSA-N -1 0 345.342 3.601 20 0 EHADRM COc1ccc(O[C@H](C)CN=c2[n-]nc(-c3ccccc3)s2)cc1 ZINC000463082635 1037757387 /nfs/dbraw/zinc/75/73/87/1037757387.db2.gz JLTKTZNNBSBTRU-CYBMUJFWSA-N -1 0 341.436 3.515 20 0 EHADRM CCCCc1n[n-]c(=NCc2ccc(Br)c(Cl)c2)o1 ZINC000491932578 1037774082 /nfs/dbraw/zinc/77/40/82/1037774082.db2.gz LVGCDNKXMSCWIZ-UHFFFAOYSA-N -1 0 344.640 3.862 20 0 EHADRM CCN(C(=O)c1nn(-c2cc(C)ccc2F)cc1[O-])[C@H](C)C(C)C ZINC000573861180 1037787459 /nfs/dbraw/zinc/78/74/59/1037787459.db2.gz HHZLFAWYAHCZDF-CYBMUJFWSA-N -1 0 333.407 3.532 20 0 EHADRM COCc1ccc(S(=O)(=O)[N-]c2nc3ccc(C)cc3s2)cc1 ZINC000540331804 1037803451 /nfs/dbraw/zinc/80/34/51/1037803451.db2.gz SGOPZTZUHGMCBX-UHFFFAOYSA-N -1 0 348.449 3.552 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)/C=C/c2ccnc3ccccc23)c1 ZINC000492005226 1037854269 /nfs/dbraw/zinc/85/42/69/1037854269.db2.gz TYRXPPBZECXDQJ-MDZDMXLPSA-N -1 0 346.386 3.904 20 0 EHADRM Cc1ccc(-c2n[n-]c(=NCc3nc4c(s3)C[C@@H](C)CC4)o2)s1 ZINC000463252691 1037952948 /nfs/dbraw/zinc/95/29/48/1037952948.db2.gz SGZBVHJLNGIXQM-VIFPVBQESA-N -1 0 346.481 3.722 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-]c2cc(-c3ccccc3)on2)cc1F ZINC000184200393 1038015343 /nfs/dbraw/zinc/01/53/43/1038015343.db2.gz DVDYLZVQYZQNSM-UHFFFAOYSA-N -1 0 346.383 3.731 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N2CCC[C@]2(C)CC(C)C)s1 ZINC000454205120 1038099301 /nfs/dbraw/zinc/09/93/01/1038099301.db2.gz NNYNVKJZORVBKK-CQSZACIVSA-N -1 0 328.507 3.505 20 0 EHADRM COc1ccc(C(=O)c2cc3cc(Cl)ccc3o2)c2occ([O-])c21 ZINC000584562087 1038174559 /nfs/dbraw/zinc/17/45/59/1038174559.db2.gz QVFKEJCKAXONOQ-UHFFFAOYSA-N -1 0 342.734 3.901 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCc1c[nH]c2ccccc12)C1CCCCC1 ZINC000538504785 1038346871 /nfs/dbraw/zinc/34/68/71/1038346871.db2.gz PVFVJJLTVVAPOU-SFHVURJKSA-N -1 0 342.439 3.640 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Cc1cccc2ccccc21)C1CCCCC1 ZINC000538514088 1038352480 /nfs/dbraw/zinc/35/24/80/1038352480.db2.gz MFURFBYRMNSZNJ-IBGZPJMESA-N -1 0 339.435 3.922 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)N[C@@H](CC(=O)[O-])C1CCCCC1 ZINC000538512214 1038353316 /nfs/dbraw/zinc/35/33/16/1038353316.db2.gz HESBYXRKRIDECG-PBHICJAKSA-N -1 0 339.476 3.654 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)N[C@H](CC(=O)[O-])C1CCCCC1 ZINC000538512216 1038353707 /nfs/dbraw/zinc/35/37/07/1038353707.db2.gz HESBYXRKRIDECG-WMLDXEAASA-N -1 0 339.476 3.654 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)C1CCCCC1 ZINC000538515175 1038355783 /nfs/dbraw/zinc/35/57/83/1038355783.db2.gz KHWOXLOFCCMYMD-MJBXVCDLSA-N -1 0 349.393 3.895 20 0 EHADRM CC(C)[C@H]1N(C(=O)c2cc(F)cc(Br)c2[O-])CC1(C)C ZINC000416242458 1038401526 /nfs/dbraw/zinc/40/15/26/1038401526.db2.gz SAIDEJWABPQAEB-CYBMUJFWSA-N -1 0 344.224 3.800 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCC(c2ccccn2)CC1 ZINC000378294552 1038403292 /nfs/dbraw/zinc/40/32/92/1038403292.db2.gz ULBLQQHVPZCHMN-UHFFFAOYSA-N -1 0 334.778 3.600 20 0 EHADRM CC(C)(C)Cc1n[n-]c(=NCc2ccccc2OC(F)(F)F)o1 ZINC000538592701 1038405409 /nfs/dbraw/zinc/40/54/09/1038405409.db2.gz LTSRVELTTWBAIQ-UHFFFAOYSA-N -1 0 329.322 3.591 20 0 EHADRM Fc1ccc(Cc2n[n-]c(=NCc3cccc4cc[nH]c43)s2)cc1 ZINC000538592649 1038423934 /nfs/dbraw/zinc/42/39/34/1038423934.db2.gz AWRYSUSFKZQSKM-UHFFFAOYSA-N -1 0 338.411 3.783 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000653316671 1038517650 /nfs/dbraw/zinc/51/76/50/1038517650.db2.gz UTIKYJATEFMLDY-QMTHXVAHSA-N -1 0 344.238 3.780 20 0 EHADRM CCCc1nc(=N[C@@H](c2cccc(F)c2)c2ccccn2)s[n-]1 ZINC000461934608 1038683847 /nfs/dbraw/zinc/68/38/47/1038683847.db2.gz HQBMMOXWSQHWNZ-INIZCTEOSA-N -1 0 328.416 3.648 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2c(F)cccc2F)c1C ZINC000539191091 1038729714 /nfs/dbraw/zinc/72/97/14/1038729714.db2.gz HJLXWIHDSGTAMV-UHFFFAOYSA-N -1 0 329.393 3.796 20 0 EHADRM Cc1ccc([C@H]2CCN(C(=O)C34CCC(C(=O)[O-])(CC3)CC4)C2)cc1 ZINC000910250239 1038788674 /nfs/dbraw/zinc/78/86/74/1038788674.db2.gz DTEPRLOWPRNJDY-RPCJCACASA-N -1 0 341.451 3.736 20 0 EHADRM C/C=C/C[C@H]1CCCN(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])C1 ZINC000910256063 1038791871 /nfs/dbraw/zinc/79/18/71/1038791871.db2.gz VTZQEGVANIJWHU-HSWBROFVSA-N -1 0 340.423 3.613 20 0 EHADRM Cc1[nH]c2ccccc2c1C1=CCN(c2ncc(C(=O)[O-])c(C)n2)CC1 ZINC000910276526 1038798132 /nfs/dbraw/zinc/79/81/32/1038798132.db2.gz IGUIFYFBMGUWRU-UHFFFAOYSA-N -1 0 348.406 3.567 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1c1ncnc2scc(-c3cccs3)c21 ZINC000910317980 1038824886 /nfs/dbraw/zinc/82/48/86/1038824886.db2.gz YQGZOVYLSCALFC-ZJUUUORDSA-N -1 0 345.449 3.719 20 0 EHADRM CCn1ncc(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)c1C1CC1 ZINC000910360197 1038856638 /nfs/dbraw/zinc/85/66/38/1038856638.db2.gz ZUNVSVLIHZYRPA-UHFFFAOYSA-N -1 0 349.390 3.884 20 0 EHADRM Cc1c(Cl)ccc2c1CN(C(=O)C13CCC(C(=O)[O-])(CC1)C3)CC2 ZINC000910366433 1038863367 /nfs/dbraw/zinc/86/33/67/1038863367.db2.gz LGCHRMDHGHJRGU-UHFFFAOYSA-N -1 0 347.842 3.568 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCC[C@@H](Nc2ccccc2)C1 ZINC000164115620 1038868750 /nfs/dbraw/zinc/86/87/50/1038868750.db2.gz SPPRTUPMDRNUDI-CQSZACIVSA-N -1 0 348.805 3.901 20 0 EHADRM Cc1nc(N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)ccc1C(=O)[O-] ZINC000910374575 1038870167 /nfs/dbraw/zinc/87/01/67/1038870167.db2.gz HCSPEUSGLIZKPB-RDJZCZTQSA-N -1 0 344.386 3.584 20 0 EHADRM [O-]c1cnc(Cl)cc1-c1nc(-c2cc(F)ccc2Cl)no1 ZINC001213939849 1038880811 /nfs/dbraw/zinc/88/08/11/1038880811.db2.gz ADEYPUSGSJARRR-UHFFFAOYSA-N -1 0 326.114 3.950 20 0 EHADRM Cc1ccc(-c2c[nH]cc2C(=O)N2CC[C@]3(C(=O)[O-])CCC[C@H]23)s1 ZINC000910397936 1038881998 /nfs/dbraw/zinc/88/19/98/1038881998.db2.gz IKQLJBNGRUZYKM-MAUKXSAKSA-N -1 0 344.436 3.521 20 0 EHADRM CCOCc1ccc(-c2cc(C(=O)[O-])cc(OC)c2OC)cc1F ZINC000568882929 1038895387 /nfs/dbraw/zinc/89/53/87/1038895387.db2.gz ARNMPLFJUAXGAG-UHFFFAOYSA-N -1 0 334.343 3.745 20 0 EHADRM O=C([O-])c1ccccc1-c1ccccc1C(=O)N1CCC[C@H](CF)C1 ZINC000910408942 1038900620 /nfs/dbraw/zinc/90/06/20/1038900620.db2.gz VTGIECNMDVGDLR-CQSZACIVSA-N -1 0 341.382 3.874 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN(C(=O)CCc1ccc(Cl)cc1)C2 ZINC000910498354 1038946979 /nfs/dbraw/zinc/94/69/79/1038946979.db2.gz KKDQDJRCNRUTHC-UHFFFAOYSA-N -1 0 343.810 3.556 20 0 EHADRM C[C@@H]1c2sccc2CCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000910505272 1038952042 /nfs/dbraw/zinc/95/20/42/1038952042.db2.gz ZBUQPUOBZIVPKK-GFCCVEGCSA-N -1 0 329.421 3.525 20 0 EHADRM CCCCN(C(=O)CC1(C(=O)[O-])CCOCC1)[C@H](C)c1ccccc1 ZINC000910534953 1038957031 /nfs/dbraw/zinc/95/70/31/1038957031.db2.gz BKDXTPFHKJQMPY-MRXNPFEDSA-N -1 0 347.455 3.648 20 0 EHADRM CCCCn1ncc(NC(=O)/C=C\c2cc(C(=O)[O-])co2)c1C(C)C ZINC000910654795 1039002541 /nfs/dbraw/zinc/00/25/41/1039002541.db2.gz AAEWCBZQJMBJAG-SREVYHEPSA-N -1 0 345.399 3.750 20 0 EHADRM CCc1c(NC(=O)c2cccc(CC(=O)[O-])c2)cnn1C(CC)CC ZINC000910656986 1039005226 /nfs/dbraw/zinc/00/52/26/1039005226.db2.gz TXCMNOLCLZJWPJ-UHFFFAOYSA-N -1 0 343.427 3.686 20 0 EHADRM Cc1cc(NC(=O)c2ccc(C(=O)[O-])cc2F)nn1C1CCCCC1 ZINC000910665659 1039009849 /nfs/dbraw/zinc/00/98/49/1039009849.db2.gz NAXAIZAVUHOUBZ-UHFFFAOYSA-N -1 0 345.374 3.786 20 0 EHADRM CCCn1ncc(NC(=O)c2cc(C(=O)[O-])ccc2Cl)c1C1CC1 ZINC000910668035 1039010322 /nfs/dbraw/zinc/01/03/22/1039010322.db2.gz IHRMXCXQSGKSHE-UHFFFAOYSA-N -1 0 347.802 3.774 20 0 EHADRM CC1(C)CN(C(=O)c2nn(-c3cccc(F)c3)cc2[O-])CC(C)(C)C1 ZINC000552162478 1039011521 /nfs/dbraw/zinc/01/15/21/1039011521.db2.gz VRHOKLGOYTXDBB-UHFFFAOYSA-N -1 0 345.418 3.615 20 0 EHADRM CC(C)C1(C)CCN(C(=O)c2nn(-c3cccc(F)c3)cc2[O-])CC1 ZINC000552161010 1039017799 /nfs/dbraw/zinc/01/77/99/1039017799.db2.gz LEBAIMDBWLBMEM-UHFFFAOYSA-N -1 0 345.418 3.615 20 0 EHADRM CCSc1cccc(F)c1[N-]S(=O)(=O)c1sccc1OC ZINC000570094489 1039018738 /nfs/dbraw/zinc/01/87/38/1039018738.db2.gz BOCXMWDIUCGCEJ-UHFFFAOYSA-N -1 0 347.458 3.809 20 0 EHADRM Cc1cc(C)c(C(=O)Nc2nc3c(s2)CC[C@@H](C(=O)[O-])C3)c(C)c1 ZINC000910681437 1039019224 /nfs/dbraw/zinc/01/92/24/1039019224.db2.gz YUCHWIRZKXKMSI-GFCCVEGCSA-N -1 0 344.436 3.510 20 0 EHADRM Cc1ccnc(NC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])c1C1CC1 ZINC000910684162 1039021341 /nfs/dbraw/zinc/02/13/41/1039021341.db2.gz XWNRSURBHSRTOD-UHFFFAOYSA-N -1 0 349.390 3.628 20 0 EHADRM CC(C)c1sc(NC(=O)CCOCc2ccccc2)nc1C(=O)[O-] ZINC000910698675 1039025713 /nfs/dbraw/zinc/02/57/13/1039025713.db2.gz GHGTUGULCQIQCW-UHFFFAOYSA-N -1 0 348.424 3.510 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)/C=C\c2cccs2)nc1C(=O)[O-] ZINC000910721743 1039029547 /nfs/dbraw/zinc/02/95/47/1039029547.db2.gz PMIBFJHJDAFCJO-ZHRWSRJISA-N -1 0 348.449 3.588 20 0 EHADRM CCc1csc([C@@H](C)NC(=O)c2cc(F)c([O-])c(Cl)c2)n1 ZINC000910736653 1039043278 /nfs/dbraw/zinc/04/32/78/1039043278.db2.gz NHINZMGFHDQMAH-SSDOTTSWSA-N -1 0 328.796 3.695 20 0 EHADRM CC(C)(NCc1ccc(C(=O)[O-])cn1)c1ccccc1Br ZINC000905726298 1039063422 /nfs/dbraw/zinc/06/34/22/1039063422.db2.gz ONWTYKCTZCQIER-UHFFFAOYSA-N -1 0 349.228 3.567 20 0 EHADRM CC(C)Oc1cc(Cl)ccc1CNCc1ccc(C(=O)[O-])cn1 ZINC000905726886 1039065209 /nfs/dbraw/zinc/06/52/09/1039065209.db2.gz JGOJTBFQZJVADF-UHFFFAOYSA-N -1 0 334.803 3.510 20 0 EHADRM Cc1ccccc1C[C@@H](C)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910743075 1039071638 /nfs/dbraw/zinc/07/16/38/1039071638.db2.gz UZFKTFRAQWRBNS-LLVKDONJSA-N -1 0 344.436 3.844 20 0 EHADRM CC(C)(CC(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)C(F)(F)F ZINC000910742600 1039072560 /nfs/dbraw/zinc/07/25/60/1039072560.db2.gz IYFIEHFMZRCWKA-UHFFFAOYSA-N -1 0 336.335 3.636 20 0 EHADRM O=C([O-])c1csc(CC2CCN(C(=O)CC3=CCCCC3)CC2)n1 ZINC000910783590 1039075562 /nfs/dbraw/zinc/07/55/62/1039075562.db2.gz HOKJTLZVNYMZET-UHFFFAOYSA-N -1 0 348.468 3.513 20 0 EHADRM CCOC(=O)c1coc(=N[C@H]2CCc3c2ccc(Cl)c3Cl)[n-]1 ZINC000418874916 1039080384 /nfs/dbraw/zinc/08/03/84/1039080384.db2.gz VQORIGXYBFANAD-NSHDSACASA-N -1 0 341.194 3.679 20 0 EHADRM CC(C)(C)c1ccc(CCCC(=O)NC2CC(CC(=O)[O-])C2)cc1 ZINC000910814066 1039092619 /nfs/dbraw/zinc/09/26/19/1039092619.db2.gz WFUVRUSNPPHRGT-UHFFFAOYSA-N -1 0 331.456 3.676 20 0 EHADRM CC(C)(CNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)CC(=O)[O-] ZINC000910823548 1039098892 /nfs/dbraw/zinc/09/88/92/1039098892.db2.gz UNBXYISJIALRAM-DLBZAZTESA-N -1 0 325.408 3.560 20 0 EHADRM Cc1ccc(SC2(C(=O)NC3CC(CC(=O)[O-])C3)CCCC2)cc1 ZINC000910807675 1039103348 /nfs/dbraw/zinc/10/33/48/1039103348.db2.gz ZUVUXJKUGWOWJZ-UHFFFAOYSA-N -1 0 347.480 3.769 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)NC1CC(CC(=O)[O-])C1 ZINC000910806895 1039104355 /nfs/dbraw/zinc/10/43/55/1039104355.db2.gz OMTNTBIHVCTYON-UHFFFAOYSA-N -1 0 337.375 3.878 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1CCc2cc(OC)ccc21 ZINC000910964944 1039163060 /nfs/dbraw/zinc/16/30/60/1039163060.db2.gz JSQZOFZRUWSOGS-QGZVFWFLSA-N -1 0 339.391 3.624 20 0 EHADRM CCN(C(=O)CCC[C@H](O)c1ccccc1)c1cccc(C(=O)[O-])c1 ZINC000910968057 1039171221 /nfs/dbraw/zinc/17/12/21/1039171221.db2.gz QPIYETPPHJMAFD-SFHVURJKSA-N -1 0 341.407 3.642 20 0 EHADRM Cc1c(C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])sc2cccc(F)c12 ZINC000261663904 1039171957 /nfs/dbraw/zinc/17/19/57/1039171957.db2.gz KWCDAKZLIRMMNN-FIXISWKDSA-N -1 0 347.411 3.674 20 0 EHADRM Cc1cccc([C@@H]([N-]S(=O)(=O)c2ccccc2F)C(F)(F)F)c1 ZINC000512447679 1039182052 /nfs/dbraw/zinc/18/20/52/1039182052.db2.gz NBZJBYVLQVMZAI-CQSZACIVSA-N -1 0 347.333 3.716 20 0 EHADRM CCc1nc(C(C)C)ccc1COc1ccc(-c2n[n-]c(=N)o2)cc1 ZINC000418971239 1039190424 /nfs/dbraw/zinc/19/04/24/1039190424.db2.gz AQVHCHIQPSNXLI-UHFFFAOYSA-N -1 0 338.411 3.809 20 0 EHADRM CC(C)N(CC1CCC1)C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000614057526 1039215570 /nfs/dbraw/zinc/21/55/70/1039215570.db2.gz YGUMPGDRYQNVCL-UHFFFAOYSA-N -1 0 347.846 3.882 20 0 EHADRM Cn1cc([C@@H](N=c2nc(-c3ccccc3)[n-]s2)C(C)(C)C)cn1 ZINC000500698535 1039215973 /nfs/dbraw/zinc/21/59/73/1039215973.db2.gz LNHOXERJTFGDFW-CQSZACIVSA-N -1 0 327.457 3.560 20 0 EHADRM CCCc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])cc2C)cc1 ZINC000236916753 1039279362 /nfs/dbraw/zinc/27/93/62/1039279362.db2.gz FKKBJTAHZPMWBR-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)N2C[C@H](C)[C@H](C)[C@@H]2C)s[n-]1 ZINC000417001787 1039311868 /nfs/dbraw/zinc/31/18/68/1039311868.db2.gz UBLHUPPQVJSXAG-DCAQKATOSA-N -1 0 336.486 3.505 20 0 EHADRM O=S(=O)([N-]c1cc(F)ccc1OCC1CC1)c1ccccc1F ZINC000480212105 1039312193 /nfs/dbraw/zinc/31/21/93/1039312193.db2.gz ZOCUQNCKSBEQHT-UHFFFAOYSA-N -1 0 339.363 3.554 20 0 EHADRM CC/C=C(/C)C(=O)N(Cc1ccoc1C(=O)[O-])[C@H](C)c1ccccn1 ZINC000911329079 1039324017 /nfs/dbraw/zinc/32/40/17/1039324017.db2.gz CGLRZJBQTDMJRC-SVSAJMPUSA-N -1 0 342.395 3.819 20 0 EHADRM CCCCn1ncc([N-]S(=O)(=O)c2cccs2)c1C(C)C ZINC000480245441 1039329894 /nfs/dbraw/zinc/32/98/94/1039329894.db2.gz IQTJKDJWXOXKDP-UHFFFAOYSA-N -1 0 327.475 3.669 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)c(F)c1 ZINC000480232032 1039333665 /nfs/dbraw/zinc/33/36/65/1039333665.db2.gz WYAPBTJEBVCVJZ-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000312381405 1039337444 /nfs/dbraw/zinc/33/74/44/1039337444.db2.gz BVWCXAROOQVOCX-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2cnn([C@@H](C)CC)c2C)cc1 ZINC000480238732 1039338042 /nfs/dbraw/zinc/33/80/42/1039338042.db2.gz CCRUMIOIBPGINN-ZDUSSCGKSA-N -1 0 335.473 3.916 20 0 EHADRM Cc1nc(C(=O)Nc2ccc(C(=O)C(C)(C)C)cc2)ccc1C(=O)[O-] ZINC000911391596 1039341844 /nfs/dbraw/zinc/34/18/44/1039341844.db2.gz WEKRXCZSDONIMX-UHFFFAOYSA-N -1 0 340.379 3.569 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000911389318 1039341969 /nfs/dbraw/zinc/34/19/69/1039341969.db2.gz HEDZGLVRWVHSDX-MWLCHTKSSA-N -1 0 347.308 3.622 20 0 EHADRM CC[C@H](c1ccncc1)N(CC)C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000911416110 1039345883 /nfs/dbraw/zinc/34/58/83/1039345883.db2.gz ITNJJBSYXGWHML-BDVYOWHSSA-N -1 0 332.444 3.662 20 0 EHADRM C[C@H](c1ccco1)N(C(=O)/C=C/c1ccc(C(=O)[O-])cc1)C1CC1 ZINC000237434805 1039363325 /nfs/dbraw/zinc/36/33/25/1039363325.db2.gz FIBWXDJPLSXQMM-ASJRZHAZSA-N -1 0 325.364 3.743 20 0 EHADRM CC[C@H](C)Oc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000439990354 1039410135 /nfs/dbraw/zinc/41/01/35/1039410135.db2.gz DZGORFUDPWUHHG-NSHDSACASA-N -1 0 331.343 3.954 20 0 EHADRM O=C(Nc1cccc(C2CC2)n1)c1cccc(Br)c1[O-] ZINC000554501903 1039410978 /nfs/dbraw/zinc/41/09/78/1039410978.db2.gz KRUAZZJDUOTMTO-UHFFFAOYSA-N -1 0 333.185 3.679 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[O-] ZINC000728922537 1039427536 /nfs/dbraw/zinc/42/75/36/1039427536.db2.gz JSVUFNCJKHRLCI-JGVFFNPUSA-N -1 0 335.397 3.535 20 0 EHADRM CC(C)Sc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccncc2)cc1 ZINC000911658581 1039453573 /nfs/dbraw/zinc/45/35/73/1039453573.db2.gz FCBUIQODHWGIJW-INIZCTEOSA-N -1 0 344.436 3.528 20 0 EHADRM COc1cccc2c1[C@@H](C(=O)Nc1cc(C(=O)[O-])c(C)cc1F)CC2 ZINC000911686939 1039459695 /nfs/dbraw/zinc/45/96/95/1039459695.db2.gz PDFICCDUYOHMPU-LBPRGKRZSA-N -1 0 343.354 3.509 20 0 EHADRM Cc1c(C(=O)Nc2cc(C(=O)[O-])c(C)cc2F)cnn1CCC(C)C ZINC000911687059 1039460289 /nfs/dbraw/zinc/46/02/89/1039460289.db2.gz RIQLVJRMIGXNEI-UHFFFAOYSA-N -1 0 347.390 3.636 20 0 EHADRM Cc1cc(F)c(NC(=O)CCC[C@@H](O)c2ccccc2)cc1C(=O)[O-] ZINC000911688284 1039462100 /nfs/dbraw/zinc/46/21/00/1039462100.db2.gz KQDBGUSABVWCPZ-QGZVFWFLSA-N -1 0 345.370 3.675 20 0 EHADRM COc1ccc2c(c1)CC[C@H]2C(=O)Nc1cc(C(=O)[O-])c(C)cc1F ZINC000911690190 1039462781 /nfs/dbraw/zinc/46/27/81/1039462781.db2.gz YMHTUQHVQOZFRR-CQSZACIVSA-N -1 0 343.354 3.509 20 0 EHADRM CC(C)N(C)c1ccccc1NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000911721564 1039470861 /nfs/dbraw/zinc/47/08/61/1039470861.db2.gz TWYYLSACCZUGDQ-UHFFFAOYSA-N -1 0 332.444 3.751 20 0 EHADRM CCC[C@H](C(=O)NCc1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000911727823 1039474962 /nfs/dbraw/zinc/47/49/62/1039474962.db2.gz INPGMYGLRDDBJH-INIZCTEOSA-N -1 0 346.814 3.633 20 0 EHADRM CC(C)Oc1c(NC(=O)c2cc3c(s2)CCC3)cccc1C(=O)[O-] ZINC000911739870 1039480599 /nfs/dbraw/zinc/48/05/99/1039480599.db2.gz ZUULUGIGLQZJAL-UHFFFAOYSA-N -1 0 345.420 3.975 20 0 EHADRM CC(C)Oc1c(NC(=O)C[C@H](C)c2ccco2)cccc1C(=O)[O-] ZINC000911733607 1039491331 /nfs/dbraw/zinc/49/13/31/1039491331.db2.gz FQUSSYSBHRJHGU-LBPRGKRZSA-N -1 0 331.368 3.897 20 0 EHADRM CC(C)Sc1ccc([C@H](C)NC(=O)N(CC(=O)[O-])C2CC2)cc1 ZINC000554603433 1039514070 /nfs/dbraw/zinc/51/40/70/1039514070.db2.gz XYJFSDZQJRYWDY-LBPRGKRZSA-N -1 0 336.457 3.507 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N2CCCC[C@H]2C(=O)[O-])cc1Cl ZINC000554598851 1039525008 /nfs/dbraw/zinc/52/50/08/1039525008.db2.gz DTWLOWIFZVRNAU-ZDUSSCGKSA-N -1 0 340.807 3.598 20 0 EHADRM COc1cc(/C=C(\C#N)c2ccc3ccccc3n2)cc([N+](=O)[O-])c1[O-] ZINC000043240459 1039530878 /nfs/dbraw/zinc/53/08/78/1039530878.db2.gz FLQVXXDTTVSOQC-RIYZIHGNSA-N -1 0 347.330 3.921 20 0 EHADRM COc1cc(NC(=O)c2cc(F)c(F)c([O-])c2F)c(C)cc1C ZINC000478565438 1039531271 /nfs/dbraw/zinc/53/12/71/1039531271.db2.gz CDGJIOQZTLVZLP-UHFFFAOYSA-N -1 0 325.286 3.687 20 0 EHADRM CC(C)[C@@H](CN=c1[n-]nc(C2CCOCC2)s1)c1ccccc1 ZINC000549467386 1039561647 /nfs/dbraw/zinc/56/16/47/1039561647.db2.gz RTUKFBLHJRDHNG-MRXNPFEDSA-N -1 0 331.485 3.706 20 0 EHADRM FC(F)(F)c1n[n-]c(=N[C@H]2CCC[C@H]2OCc2ccccc2)s1 ZINC000480445653 1039561959 /nfs/dbraw/zinc/56/19/59/1039561959.db2.gz NYBOADDUPPGUPZ-NWDGAFQWSA-N -1 0 343.374 3.529 20 0 EHADRM C[C@H](N=c1nc(-c2ccccc2)[n-]s1)c1ccc([S@@](C)=O)cc1 ZINC000339221956 1039597823 /nfs/dbraw/zinc/59/78/23/1039597823.db2.gz QDBWAVQCFDJTOS-DAOPMYJZSA-N -1 0 343.477 3.538 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CC2(CCC2)[C@@H]1c1cccnc1 ZINC000912039811 1039641317 /nfs/dbraw/zinc/64/13/17/1039641317.db2.gz GBQBBNFCPSDCIW-INIZCTEOSA-N -1 0 328.799 3.808 20 0 EHADRM CC1(C)[C@H](NC(=O)c2c([O-])cc(Cl)cc2Cl)[C@H]2CCCO[C@@H]21 ZINC000408410091 1039674253 /nfs/dbraw/zinc/67/42/53/1039674253.db2.gz JJAJZZYSOSNWRZ-FZQKWOKYSA-N -1 0 344.238 3.632 20 0 EHADRM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)N=c2cc(C)c(C)n[n-]2)o1 ZINC000480568731 1039709756 /nfs/dbraw/zinc/70/97/56/1039709756.db2.gz RITCYHLOLLOMFB-LRDDRELGSA-N -1 0 342.443 3.676 20 0 EHADRM Cc1ccc([C@H]2OCCC[C@@H]2N=c2nc(C(F)(F)F)[n-]s2)cc1 ZINC000553151234 1039822126 /nfs/dbraw/zinc/82/21/26/1039822126.db2.gz ZAYKIXTWRJYQCP-NWDGAFQWSA-N -1 0 343.374 3.619 20 0 EHADRM CC(C)Cc1ccc([C@@H](NC(=O)CSCC(=O)[O-])C(C)C)cc1 ZINC000549804369 1039924343 /nfs/dbraw/zinc/92/43/43/1039924343.db2.gz ROLAWNLDPTYELW-SFHVURJKSA-N -1 0 337.485 3.516 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(-n3cccn3)ccc2C)sc1C ZINC000473428073 1040000734 /nfs/dbraw/zinc/00/07/34/1040000734.db2.gz PYJYNEYISVYOOP-UHFFFAOYSA-N -1 0 347.465 3.660 20 0 EHADRM O=C(CC1(C(=O)[O-])CCCCC1)N[C@H]1CCSc2ccccc21 ZINC000322089463 1040008791 /nfs/dbraw/zinc/00/87/91/1040008791.db2.gz JMBSXZPOCILCCB-AWEZNQCLSA-N -1 0 333.453 3.765 20 0 EHADRM CCC[C@H](CNC(=O)c1ccc(OC2CCC2)cc1Cl)C(=O)[O-] ZINC000455924938 1040020933 /nfs/dbraw/zinc/02/09/33/1040020933.db2.gz MYTRHOSVNPHYFR-LLVKDONJSA-N -1 0 339.819 3.502 20 0 EHADRM Cc1cc(C)cc(C[C@@H](NCc2ncc(C(C)C)s2)C(=O)[O-])c1 ZINC000417577453 1040022896 /nfs/dbraw/zinc/02/28/96/1040022896.db2.gz WQEIWDUIRCYXSU-OAHLLOKOSA-N -1 0 332.469 3.669 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H]1C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000321646469 1040032239 /nfs/dbraw/zinc/03/22/39/1040032239.db2.gz KGUYONTWIPBEIG-HUUCEWRRSA-N -1 0 349.477 3.839 20 0 EHADRM Cc1c2cccc(Cl)c2sc1CN[C@H](C(=O)[O-])c1cnn(C)c1 ZINC000417594762 1040046803 /nfs/dbraw/zinc/04/68/03/1040046803.db2.gz MVRMXLQHGMTAAR-AWEZNQCLSA-N -1 0 349.843 3.512 20 0 EHADRM CC[C@H](Cc1ccc(NCc2cccc3c2OCCO3)cc1)C(=O)[O-] ZINC000417609591 1040061642 /nfs/dbraw/zinc/06/16/42/1040061642.db2.gz LMUHRYVWBIAXDI-OAHLLOKOSA-N -1 0 341.407 3.723 20 0 EHADRM CC[C@H](Cc1ccc(NCc2c[nH]nc2C(C)(C)C)cc1)C(=O)[O-] ZINC000417610883 1040062458 /nfs/dbraw/zinc/06/24/58/1040062458.db2.gz ODDFVULLNXKTNV-CQSZACIVSA-N -1 0 329.444 3.973 20 0 EHADRM CC[C@H](Cc1ccc(NCc2ccc3c(c2)OCCO3)cc1)C(=O)[O-] ZINC000417610146 1040062824 /nfs/dbraw/zinc/06/28/24/1040062824.db2.gz MNHKTPBBKMLSMT-MRXNPFEDSA-N -1 0 341.407 3.723 20 0 EHADRM Cc1ccc(-c2ccc(CN[C@@H](COC(C)(C)C)C(=O)[O-])o2)cc1 ZINC000417602827 1040064250 /nfs/dbraw/zinc/06/42/50/1040064250.db2.gz WSBQZLVYGUKRRH-INIZCTEOSA-N -1 0 331.412 3.613 20 0 EHADRM C[C@H](CC(=O)[O-])c1ccc(NCc2ccc([S@@](C)=O)cc2)cc1 ZINC000417611177 1040078976 /nfs/dbraw/zinc/07/89/76/1040078976.db2.gz OKBCMVVYUHKBEN-JCQPUDPBSA-N -1 0 331.437 3.614 20 0 EHADRM COc1cc(C)c(CNc2ccc([C@H](C)CC(=O)[O-])cc2)c(C)n1 ZINC000417615469 1040086744 /nfs/dbraw/zinc/08/67/44/1040086744.db2.gz XQNUSXIVAQOXCC-GFCCVEGCSA-N -1 0 328.412 3.897 20 0 EHADRM Cc1oc(C(C)(C)C)cc1C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000907551032 1040094453 /nfs/dbraw/zinc/09/44/53/1040094453.db2.gz RXXUVLCGQOQJBT-GFCCVEGCSA-N -1 0 335.425 3.893 20 0 EHADRM COc1ccc(CCC(=O)[O-])cc1NCc1csc(C2CC2)n1 ZINC000417626226 1040104354 /nfs/dbraw/zinc/10/43/54/1040104354.db2.gz NSLCBFOYHXZSSE-UHFFFAOYSA-N -1 0 332.425 3.658 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)[C@@H](C)Sc3ccccc3)[nH][nH]2)s1 ZINC000500867841 1040108846 /nfs/dbraw/zinc/10/88/46/1040108846.db2.gz XKBCGOURBOIYOV-GFCCVEGCSA-N -1 0 343.477 3.988 20 0 EHADRM O=C([O-])[C@@H](CC(F)F)NC(=O)c1csc(C2CCCCC2)c1 ZINC000907675332 1040124721 /nfs/dbraw/zinc/12/47/21/1040124721.db2.gz NUAOKMNHESMBIS-LLVKDONJSA-N -1 0 331.384 3.634 20 0 EHADRM C[C@@H](Sc1ccc(NCc2cnc(C3CC3)nc2)cc1)C(=O)[O-] ZINC000417661177 1040127940 /nfs/dbraw/zinc/12/79/40/1040127940.db2.gz RREQQLJKQILCGI-LLVKDONJSA-N -1 0 329.425 3.531 20 0 EHADRM CC(C)(CC(=O)N=c1cc(-c2cccc(F)c2F)[nH][nH]1)C(F)(F)F ZINC000479323881 1040141432 /nfs/dbraw/zinc/14/14/32/1040141432.db2.gz RXTYPJIATSRQLW-UHFFFAOYSA-N -1 0 347.287 3.694 20 0 EHADRM Cc1oc(C(C)(C)C)cc1C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000907730028 1040148460 /nfs/dbraw/zinc/14/84/60/1040148460.db2.gz GPYOEYOVTQFYQY-QMMMGPOBSA-N -1 0 336.413 3.531 20 0 EHADRM Cc1cc(F)ccc1[C@@H](C)NC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC000907785619 1040169291 /nfs/dbraw/zinc/16/92/91/1040169291.db2.gz NAXSWPZXRFARMI-YXKFXFPPSA-N -1 0 341.382 3.570 20 0 EHADRM C[C@@H](CN(C)C(=O)Nc1ccc(OC2CCCCC2)cc1)C(=O)[O-] ZINC000417743014 1040222629 /nfs/dbraw/zinc/22/26/29/1040222629.db2.gz BPNNTUUCRUKECG-ZDUSSCGKSA-N -1 0 334.416 3.583 20 0 EHADRM FC(F)(F)COc1ccccc1[N-]c1nnc([C@@H]2CCCCO2)o1 ZINC000899246178 1040234693 /nfs/dbraw/zinc/23/46/93/1040234693.db2.gz DOUDLGQIRXJMKP-LBPRGKRZSA-N -1 0 343.305 3.996 20 0 EHADRM CC(C)(C)Cc1ncc(C(=O)N2CCc3c2cccc3C(=O)[O-])s1 ZINC000907984534 1040256287 /nfs/dbraw/zinc/25/62/87/1040256287.db2.gz SSUMRFSTPUMWSE-UHFFFAOYSA-N -1 0 344.436 3.633 20 0 EHADRM Cc1cc([C@H](C)NC(=O)c2cc(F)c(F)cc2C(=O)[O-])c(C)s1 ZINC000322207027 1040267370 /nfs/dbraw/zinc/26/73/70/1040267370.db2.gz SKSNHNPZXIDGEE-QMMMGPOBSA-N -1 0 339.363 3.832 20 0 EHADRM CN(C(=O)c1ccc(C(C)(C)C)s1)c1cccc(CC(=O)[O-])c1 ZINC000908083540 1040279781 /nfs/dbraw/zinc/27/97/81/1040279781.db2.gz RONCGLNXPNXAII-UHFFFAOYSA-N -1 0 331.437 3.949 20 0 EHADRM CN(C(=O)C(C)(C)c1ccc(F)cc1F)c1cccc(CC(=O)[O-])c1 ZINC000908084088 1040280326 /nfs/dbraw/zinc/28/03/26/1040280326.db2.gz FFOPVUYDTCGFJT-UHFFFAOYSA-N -1 0 347.361 3.533 20 0 EHADRM CC(C)Cc1ccc(C(=O)N(C)c2cccc(CC(=O)[O-])c2)s1 ZINC000908089623 1040283741 /nfs/dbraw/zinc/28/37/41/1040283741.db2.gz HBICOEDEKQJESP-UHFFFAOYSA-N -1 0 331.437 3.850 20 0 EHADRM Cc1ccccc1C(C)(C)C(=O)N(C)c1cccc(CC(=O)[O-])c1 ZINC000908079744 1040290511 /nfs/dbraw/zinc/29/05/11/1040290511.db2.gz ZJOHGBNQOCBPRL-UHFFFAOYSA-N -1 0 325.408 3.563 20 0 EHADRM CCOCCC1(CNC(=O)c2cc(F)cc(Cl)c2[O-])CCC1 ZINC000165087522 1040321786 /nfs/dbraw/zinc/32/17/86/1040321786.db2.gz XILIMXYOXLSJRU-UHFFFAOYSA-N -1 0 329.799 3.511 20 0 EHADRM COc1ccccc1CCC(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000163564328 1040358528 /nfs/dbraw/zinc/35/85/28/1040358528.db2.gz YNFMBNFNLDFDFO-UHFFFAOYSA-N -1 0 328.393 3.696 20 0 EHADRM CC(C)(C)c1cccc([N-]S(=O)(=O)c2cncc(Cl)c2)c1O ZINC000479558366 1040378501 /nfs/dbraw/zinc/37/85/01/1040378501.db2.gz OFWJKDRRWHVAKF-UHFFFAOYSA-N -1 0 340.832 3.539 20 0 EHADRM CC(C)c1ccc([C@H](C)n2[n-]c3c(c2=O)CC2(CC3)OCCO2)cc1 ZINC000899360648 1040383694 /nfs/dbraw/zinc/38/36/94/1040383694.db2.gz MPVSTHHSEJPOSE-YOEHRIQHSA-N -1 0 342.439 3.612 20 0 EHADRM C[C@@H]1CCN(C(=O)c2n[n-]c3ccccc3c2=O)[C@H]1c1ccccc1 ZINC000899375679 1040392719 /nfs/dbraw/zinc/39/27/19/1040392719.db2.gz MGAKRUXQDNVMGE-FZKQIMNGSA-N -1 0 333.391 3.559 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908341349 1040401198 /nfs/dbraw/zinc/40/11/98/1040401198.db2.gz LBIWGYJLDHPGLO-CQSZACIVSA-N -1 0 335.419 3.546 20 0 EHADRM Cc1ccccc1SCC(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908353700 1040407931 /nfs/dbraw/zinc/40/79/31/1040407931.db2.gz GMAOXYIIXDWUPD-UHFFFAOYSA-N -1 0 335.469 3.629 20 0 EHADRM CCC[C@H](C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1)c1cccc(Cl)c1 ZINC000908376722 1040420886 /nfs/dbraw/zinc/42/08/86/1040420886.db2.gz UEPDOZFUUNBDKX-MAZHCROVSA-N -1 0 337.847 3.983 20 0 EHADRM Cc1nc2sc3c(c2c(-n2[n-]c(C(C)C)cc2=O)n1)CCCC3 ZINC000614185536 1040437837 /nfs/dbraw/zinc/43/78/37/1040437837.db2.gz NDLXEJLUCZGHII-UHFFFAOYSA-N -1 0 328.441 3.627 20 0 EHADRM CCC(CC)n1nc(C(=O)Nc2cccc(C(=O)[O-])c2OC)cc1C ZINC000908501113 1040481623 /nfs/dbraw/zinc/48/16/23/1040481623.db2.gz MULMLZSMMLOWPS-UHFFFAOYSA-N -1 0 345.399 3.512 20 0 EHADRM COc1c(NC(=O)c2cccc(C3CCC3)c2)cccc1C(=O)[O-] ZINC000908501630 1040495551 /nfs/dbraw/zinc/49/55/51/1040495551.db2.gz REELOIWTVJZZAG-UHFFFAOYSA-N -1 0 325.364 3.913 20 0 EHADRM CC(C)(CC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1)CC(F)F ZINC000908605950 1040530525 /nfs/dbraw/zinc/53/05/25/1040530525.db2.gz CJCSNNQYVXCWGP-GFCCVEGCSA-N -1 0 331.334 3.529 20 0 EHADRM Cc1ccc(C)c(NC(=O)N(Cc2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000908630885 1040538412 /nfs/dbraw/zinc/53/84/12/1040538412.db2.gz BBZBGAFDQNSKNE-OAHLLOKOSA-N -1 0 326.396 3.811 20 0 EHADRM CCC[C@](C)(NC(=O)Nc1cccc(COC(C)(C)C)c1)C(=O)[O-] ZINC000908635997 1040540893 /nfs/dbraw/zinc/54/08/93/1040540893.db2.gz OXHAMTGDORCRAF-SFHVURJKSA-N -1 0 336.432 3.767 20 0 EHADRM O=C1CCC[C@@H]1CCSc1n[n-]c(=Nc2ccccc2F)s1 ZINC000481244214 1040541556 /nfs/dbraw/zinc/54/15/56/1040541556.db2.gz ZOIMLHLRQSBUKE-SNVBAGLBSA-N -1 0 337.445 3.694 20 0 EHADRM C/C(=C\c1cccc(Cl)c1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000191203759 1040565514 /nfs/dbraw/zinc/56/55/14/1040565514.db2.gz DGTGIGFQJUBBOL-JWAFFJSPSA-N -1 0 335.831 3.847 20 0 EHADRM CCC[C@H]1CCCN(C(=O)N=c2[n-]nc(/C=C/c3ccco3)s2)C1 ZINC000486947268 1040577208 /nfs/dbraw/zinc/57/72/08/1040577208.db2.gz VZZHZZYKVQGDFZ-XEHSLEBBSA-N -1 0 346.456 3.767 20 0 EHADRM Cc1cccc(-c2cccc(C(=O)N3CCC(CC(=O)[O-])CC3)c2)c1 ZINC000908679692 1040585022 /nfs/dbraw/zinc/58/50/22/1040585022.db2.gz NKMQVXZRRRGJDJ-UHFFFAOYSA-N -1 0 337.419 3.989 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)N[C@H]1CCC[C@H](c2ccccc2)C1 ZINC000486970978 1040594337 /nfs/dbraw/zinc/59/43/37/1040594337.db2.gz RVYHGOZZRSTGAV-IRXDYDNUSA-N -1 0 336.439 3.624 20 0 EHADRM CC(C)COc1cccc(CN=c2[n-]nc(Cc3ccccc3)o2)c1 ZINC000479764937 1040603522 /nfs/dbraw/zinc/60/35/22/1040603522.db2.gz NJLSCTFOCOWXLY-UHFFFAOYSA-N -1 0 337.423 3.729 20 0 EHADRM Cc1cc(C)cc(C[C@H](C)NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC000908832906 1040679449 /nfs/dbraw/zinc/67/94/49/1040679449.db2.gz UJSRSYSGYFZABE-ATIQYGATSA-N -1 0 343.467 3.776 20 0 EHADRM CN=c1[n-]nc(S[C@@H](C)c2ccc(Br)cc2)s1 ZINC000487096220 1040701094 /nfs/dbraw/zinc/70/10/94/1040701094.db2.gz AUQRBPKOQRZNLF-ZETCQYMHSA-N -1 0 330.276 3.618 20 0 EHADRM Cc1cc(Nc2ccc(C(=O)[O-])c(F)c2)ncc1Br ZINC001175155215 1132568817 /nfs/dbraw/zinc/56/88/17/1132568817.db2.gz NROAEQOSXJKMQX-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM Cc1ccc(N(CC2CC2)C(=O)c2cnc(C3CC3)[nH]c2=O)cc1F ZINC000913337697 1040737373 /nfs/dbraw/zinc/73/73/73/1040737373.db2.gz LBAMWYOOGDQWNW-UHFFFAOYSA-N -1 0 341.386 3.564 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1cscc1C(F)F)c1ccccc1 ZINC000909063919 1040786653 /nfs/dbraw/zinc/78/66/53/1040786653.db2.gz BDWZZRPZKJEIGM-ZANVPECISA-N -1 0 339.363 3.878 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)CC(C)(C)CC(F)F)c1ccccc1 ZINC000909064722 1040788422 /nfs/dbraw/zinc/78/84/22/1040788422.db2.gz FVTSNFACWDWMNZ-XHDPSFHLSA-N -1 0 327.371 3.636 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H](c2ccncc2)C2CCCC2)ccc1F ZINC000909107818 1040826421 /nfs/dbraw/zinc/82/64/21/1040826421.db2.gz NNGHRAACWKBKNL-QGZVFWFLSA-N -1 0 342.370 3.831 20 0 EHADRM COc1cc(C(=O)[O-])cc(-c2cc(F)ccc2OC[C@H]2CCOC2)c1 ZINC000899636108 1040886431 /nfs/dbraw/zinc/88/64/31/1040886431.db2.gz XIBKGHKKLIHWNZ-LBPRGKRZSA-N -1 0 346.354 3.615 20 0 EHADRM Cc1ccc([C@H](CNC(=O)CC(C)(C)CC(F)(F)F)C(=O)[O-])cc1 ZINC000909252803 1040899341 /nfs/dbraw/zinc/89/93/41/1040899341.db2.gz MZTCEICNYCYJNG-ZDUSSCGKSA-N -1 0 345.361 3.648 20 0 EHADRM Cc1cc(C)c(CC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)s1 ZINC000909289879 1040908327 /nfs/dbraw/zinc/90/83/27/1040908327.db2.gz UCLGNVSWLUMVEJ-UHFFFAOYSA-N -1 0 331.437 3.908 20 0 EHADRM CC(C)[C@H](C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1cccnc1 ZINC000909297953 1040914124 /nfs/dbraw/zinc/91/41/24/1040914124.db2.gz TZZPZGIBWMUXIO-KRWDZBQOSA-N -1 0 340.423 3.822 20 0 EHADRM Cc1ccc(NC(=O)CCC[C@@H](O)c2ccccc2)cc1C(=O)[O-] ZINC000909294697 1040914336 /nfs/dbraw/zinc/91/43/36/1040914336.db2.gz LEVYADRLWYYODB-QGZVFWFLSA-N -1 0 327.380 3.536 20 0 EHADRM Cc1c(C(=O)[N-]S(=O)(=O)c2cccc(C(C)C)c2)cnn1C(C)C ZINC000092717379 1040942020 /nfs/dbraw/zinc/94/20/20/1040942020.db2.gz AFCVXQTTXDLRJO-UHFFFAOYSA-N -1 0 349.456 3.589 20 0 EHADRM CCO[C@@H](C(=O)Nc1ccc2[n-]c(=S)oc2c1)c1ccccc1 ZINC000163664545 1040979693 /nfs/dbraw/zinc/97/96/93/1040979693.db2.gz SUSOYINPCFXUGM-OAHLLOKOSA-N -1 0 328.393 3.833 20 0 EHADRM CCN(C)[C@H](C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1)c1ccccc1 ZINC000909835921 1041032764 /nfs/dbraw/zinc/03/27/64/1041032764.db2.gz WSIOFPQOZFXDNN-KDOFPFPSSA-N -1 0 340.423 3.506 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)CCC[C@H](O)c2ccccc2)cc1 ZINC000909836176 1041033356 /nfs/dbraw/zinc/03/33/56/1041033356.db2.gz MMFNOFIFBBXJAH-KSSFIOAISA-N -1 0 341.407 3.717 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)CC(C)(C)CC(F)(F)F)n1 ZINC000909951848 1041077822 /nfs/dbraw/zinc/07/78/22/1041077822.db2.gz CBBKHGLZADUYJI-JTQLQIEISA-N -1 0 349.353 3.616 20 0 EHADRM CCOCc1cccc(NC(=O)C[C@H](C(=O)[O-])c2ccc(C)cc2)c1 ZINC000899766284 1041096089 /nfs/dbraw/zinc/09/60/89/1041096089.db2.gz KARZYAFCUSPRPO-SFHVURJKSA-N -1 0 341.407 3.729 20 0 EHADRM CCc1cc(C)cc(CC)c1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-] ZINC000899779753 1041102185 /nfs/dbraw/zinc/10/21/85/1041102185.db2.gz SSLMITFONLUHFZ-JJDSTIRJSA-N -1 0 341.451 3.971 20 0 EHADRM COc1cc(C)c(NC(=O)C[C@H](C(=O)[O-])c2ccc(C)cc2)cc1C ZINC000899779342 1041102209 /nfs/dbraw/zinc/10/22/09/1041102209.db2.gz OONQHQOUNALVHI-INIZCTEOSA-N -1 0 341.407 3.817 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000899770233 1041107298 /nfs/dbraw/zinc/10/72/98/1041107298.db2.gz LDDLWJHPOURGSB-GFCCVEGCSA-N -1 0 331.334 3.867 20 0 EHADRM CC[C@H](NC(=O)C[C@@H](C(=O)[O-])c1ccc(C)cc1)c1nc(C)cs1 ZINC000899773136 1041110701 /nfs/dbraw/zinc/11/07/01/1041110701.db2.gz YDIBIDONTRFKIX-CABCVRRESA-N -1 0 346.452 3.586 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000899796690 1041149592 /nfs/dbraw/zinc/14/95/92/1041149592.db2.gz OPMZKQHPAYCVMF-BXUZGUMPSA-N -1 0 339.432 3.616 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@H]1CCC[C@H]1c1ccccc1)C2 ZINC000910040269 1041161722 /nfs/dbraw/zinc/16/17/22/1041161722.db2.gz SPORNKXBIIWXHP-OALUTQOASA-N -1 0 335.403 3.811 20 0 EHADRM CCCC[C@H](C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])cs1)C(C)C ZINC000910101605 1041190913 /nfs/dbraw/zinc/19/09/13/1041190913.db2.gz IHVBTLRBJCAFEO-GXTWGEPZSA-N -1 0 338.473 3.967 20 0 EHADRM CC[C@H](CC(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])cs1)C(C)(C)C ZINC000910104716 1041192685 /nfs/dbraw/zinc/19/26/85/1041192685.db2.gz SZGDZLXDRDYCOI-DGCLKSJQSA-N -1 0 338.473 3.967 20 0 EHADRM CC1(C)CCC[C@@H](C(=O)N2CCC[C@H]2c2nc(C(=O)[O-])cs2)C1 ZINC000910106074 1041192750 /nfs/dbraw/zinc/19/27/50/1041192750.db2.gz FZOWESVDTJYEPO-YPMHNXCESA-N -1 0 336.457 3.721 20 0 EHADRM O=C([O-])c1csc([C@@H]2CCCN2C(=O)CC2CCCCCC2)n1 ZINC000910114568 1041197382 /nfs/dbraw/zinc/19/73/82/1041197382.db2.gz NVCNVXDNWMWJCC-AWEZNQCLSA-N -1 0 336.457 3.865 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)CC1(CC(=O)[O-])CCC1)C(C)(C)C ZINC000899853536 1041214222 /nfs/dbraw/zinc/21/42/22/1041214222.db2.gz XECLNDVZLXZAFW-KRWDZBQOSA-N -1 0 332.444 3.629 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2c(C)coc2C)cc1 ZINC000909326078 1041230307 /nfs/dbraw/zinc/23/03/07/1041230307.db2.gz OKDKBEWYDFRHTM-AWEZNQCLSA-N -1 0 333.409 3.564 20 0 EHADRM COc1cc([C@@H](C)NC(=O)C[C@H](C)CC(=O)[O-])cc2ccccc21 ZINC000899855996 1041238528 /nfs/dbraw/zinc/23/85/28/1041238528.db2.gz LWQWTHCIMNMEOU-QWHCGFSZSA-N -1 0 329.396 3.527 20 0 EHADRM C[C@H](SCCC[N-]C(=O)C(F)(F)F)c1c(F)cccc1F ZINC000178796822 1041329016 /nfs/dbraw/zinc/32/90/16/1041329016.db2.gz LAWGWYTUUKPQJU-QMMMGPOBSA-N -1 0 327.318 3.828 20 0 EHADRM Cc1c(CN=c2[n-]nc(C3CCOCC3)s2)oc2ccc(F)cc12 ZINC000549511383 1041571888 /nfs/dbraw/zinc/57/18/88/1041571888.db2.gz SQWUHVBCMIYJDE-UHFFFAOYSA-N -1 0 347.415 3.660 20 0 EHADRM CCc1cc(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)sc1C ZINC000432117052 1041612737 /nfs/dbraw/zinc/61/27/37/1041612737.db2.gz OKAQKULWXQTZJR-MRXNPFEDSA-N -1 0 345.464 3.825 20 0 EHADRM O=C([O-])C1CCC(C(=O)NCc2cc(Cl)cc(Cl)c2)CC1 ZINC000659166008 1041624355 /nfs/dbraw/zinc/62/43/55/1041624355.db2.gz FLWUQWJOTCKVNA-UHFFFAOYSA-N -1 0 330.211 3.501 20 0 EHADRM CC(C)c1cc(C(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])nn1C(C)(C)C ZINC000432130982 1041626679 /nfs/dbraw/zinc/62/66/79/1041626679.db2.gz UTUVFUMPRULXKL-ORAYPTAESA-N -1 0 349.475 3.525 20 0 EHADRM Cc1cc(Nc2ccccc2OC2CCOCC2)ccc1C(=O)[O-] ZINC001211660689 1041689966 /nfs/dbraw/zinc/68/99/66/1041689966.db2.gz HFMBHLNUJRGNRA-UHFFFAOYSA-N -1 0 327.380 3.995 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)N[C@@H]3CC[C@H](C(=O)[O-])C3)ccc2o1 ZINC000647696384 1041737288 /nfs/dbraw/zinc/73/72/88/1041737288.db2.gz GVPVREQXQVZPRI-WDEREUQCSA-N -1 0 345.399 3.500 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)N=c1[n-]nc(-c2ccccc2)s1 ZINC000467243037 1041814955 /nfs/dbraw/zinc/81/49/55/1041814955.db2.gz QLPHMRVWKDSGIY-YUELXQCFSA-N -1 0 342.468 3.812 20 0 EHADRM CCOC(=O)c1c(F)cc(F)cc1Nc1ccc(C(=O)[O-])c(C)c1 ZINC001211663715 1041895630 /nfs/dbraw/zinc/89/56/30/1041895630.db2.gz XJWFHOOWZUMKLV-UHFFFAOYSA-N -1 0 335.306 3.892 20 0 EHADRM Cc1cc(Nc2c(N)ccc(F)c2Br)ccc1C(=O)[O-] ZINC001211663723 1041897806 /nfs/dbraw/zinc/89/78/06/1041897806.db2.gz XWXSOZWSHGLACO-UHFFFAOYSA-N -1 0 339.164 3.921 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)CC2CC(c3ccccc3)C2)c2ccccc21 ZINC000653327001 1042070496 /nfs/dbraw/zinc/07/04/96/1042070496.db2.gz OVDAKQOWFNTTRL-PNQJHCTGSA-N -1 0 349.430 4.000 20 0 EHADRM COc1cccc2c1OCC[C@@H]2N=c1nc(C2CCCC2)[n-]s1 ZINC000643183211 1042108264 /nfs/dbraw/zinc/10/82/64/1042108264.db2.gz ORNUFBZINKRFAX-ZDUSSCGKSA-N -1 0 331.441 3.562 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3[C@H](C)CC[C@@H]3C)n2)cc1 ZINC000119312749 1042198171 /nfs/dbraw/zinc/19/81/71/1042198171.db2.gz HCWUULWISLIBSZ-OKILXGFUSA-N -1 0 327.428 3.714 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1c1nc2cc(Cl)cc(Cl)c2o1 ZINC000662894995 1042204056 /nfs/dbraw/zinc/20/40/56/1042204056.db2.gz XKRVKXOHAYNIRS-YUMQZZPRSA-N -1 0 329.183 3.824 20 0 EHADRM CCCOc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1Cl ZINC000048382474 1042328191 /nfs/dbraw/zinc/32/81/91/1042328191.db2.gz KKPIBEGSRUECQC-CHWSQXEVSA-N -1 0 337.803 3.734 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(Cl)cc2ccccc21 ZINC000663056846 1042402667 /nfs/dbraw/zinc/40/26/67/1042402667.db2.gz ORPNCLQNTVSBKY-YPMHNXCESA-N -1 0 331.799 3.819 20 0 EHADRM Cc1cc(C)c(-c2csc(NC(=O)C3(C(=O)[O-])CCC3)n2)c(C)c1 ZINC000663080522 1042429526 /nfs/dbraw/zinc/42/95/26/1042429526.db2.gz PWAYJJPNAZGCDI-UHFFFAOYSA-N -1 0 344.436 3.929 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc2)cs1 ZINC000663095151 1042444219 /nfs/dbraw/zinc/44/42/19/1042444219.db2.gz VLRYIUDJKZCQHF-AWEZNQCLSA-N -1 0 332.425 3.804 20 0 EHADRM C[C@H](NC(=O)C1(C(F)(F)F)CCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000663121859 1042470186 /nfs/dbraw/zinc/47/01/86/1042470186.db2.gz SHAZMJLRIBLCLQ-SDDRHHMPSA-N -1 0 349.393 3.751 20 0 EHADRM C[C@H](C(=O)NC[C@H](C(=O)[O-])C1CCC1)c1ccc(Cl)c(Cl)c1 ZINC000663153124 1042496591 /nfs/dbraw/zinc/49/65/91/1042496591.db2.gz ILIGZYVUAZHWFI-CABZTGNLSA-N -1 0 344.238 3.714 20 0 EHADRM Cc1c(Cl)cccc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000659188311 1042522835 /nfs/dbraw/zinc/52/28/35/1042522835.db2.gz BZFRJSKXRDZYJC-OFQRWUPVSA-N -1 0 335.831 3.754 20 0 EHADRM O=C(N[C@@H](Cc1ccccc1)C1CC1)c1cc(F)c([O-])c(Cl)c1 ZINC000184425055 1042540032 /nfs/dbraw/zinc/54/00/32/1042540032.db2.gz OMOWNDBVZPZPKK-INIZCTEOSA-N -1 0 333.790 3.936 20 0 EHADRM Oc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2Cl)cc1 ZINC000254517857 1042606871 /nfs/dbraw/zinc/60/68/71/1042606871.db2.gz LWTBHSOPYMCADE-UHFFFAOYSA-N -1 0 330.800 3.849 20 0 EHADRM Cc1cc(N2CCCC2)ccc1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000186409121 1042660714 /nfs/dbraw/zinc/66/07/14/1042660714.db2.gz RPQKLIRMUKDMNJ-UHFFFAOYSA-N -1 0 332.350 3.831 20 0 EHADRM CN(C)c1ccc2cc(NC(=O)c3cc(F)c([O-])c(F)c3)ccc2n1 ZINC000186705243 1042689529 /nfs/dbraw/zinc/68/95/29/1042689529.db2.gz HRLNTKJQQRRRND-UHFFFAOYSA-N -1 0 343.333 3.537 20 0 EHADRM Cc1ccccc1C1CCN(C(=O)c2cc(F)c([O-])c(F)c2)CC1 ZINC000186789082 1042707549 /nfs/dbraw/zinc/70/75/49/1042707549.db2.gz VIYJMFDXSOKQEJ-UHFFFAOYSA-N -1 0 331.362 3.999 20 0 EHADRM Cc1cccc(-c2cncc(C(=O)Nc3n[nH]c(-c4ccco4)n3)c2)c1 ZINC000162126558 1042709362 /nfs/dbraw/zinc/70/93/62/1042709362.db2.gz SPMJWLCAVUCIOD-UHFFFAOYSA-N -1 0 345.362 3.687 20 0 EHADRM CC[C@@H](CNC(=O)c1cc(F)c([O-])c(F)c1)Oc1ccccc1C ZINC000186852115 1042716958 /nfs/dbraw/zinc/71/69/58/1042716958.db2.gz OYLGVKWCVGLKNV-ZDUSSCGKSA-N -1 0 335.350 3.566 20 0 EHADRM CSc1ccc(NC(=O)NC[C@H](C(=O)[O-])C2CCC2)cc1Cl ZINC000663347986 1042734851 /nfs/dbraw/zinc/73/48/51/1042734851.db2.gz CVNRWUWKQUTMKL-NSHDSACASA-N -1 0 342.848 3.684 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)C1(C)C ZINC000659194914 1042752954 /nfs/dbraw/zinc/75/29/54/1042752954.db2.gz NKZWIHVSIDLGIP-ZHCJQAHYSA-N -1 0 333.472 3.717 20 0 EHADRM O=C([O-])[C@H]1CCCCCN1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000321387081 1042812130 /nfs/dbraw/zinc/81/21/30/1042812130.db2.gz AJILGYINVRVRIO-GFCCVEGCSA-N -1 0 330.306 3.567 20 0 EHADRM Cc1c(NC(=O)CC2(CC(=O)[O-])CCC2)cccc1C(F)(F)F ZINC000643342737 1042839563 /nfs/dbraw/zinc/83/95/63/1042839563.db2.gz YOFCBHITUFJXTA-UHFFFAOYSA-N -1 0 329.318 3.987 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CC[C@@H](COc2ccccc2)C1 ZINC000278896901 1042868787 /nfs/dbraw/zinc/86/87/87/1042868787.db2.gz ZWRHMJISFRXRTJ-GFCCVEGCSA-N -1 0 349.789 3.726 20 0 EHADRM O=C(N=c1nc(-c2ccccc2)[n-]s1)c1cc(F)ccc1Cl ZINC000432412634 1043114974 /nfs/dbraw/zinc/11/49/74/1043114974.db2.gz CMEBGYLDHAYJEW-UHFFFAOYSA-N -1 0 333.775 3.672 20 0 EHADRM CC(C)c1cccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000324439270 1043300233 /nfs/dbraw/zinc/30/02/33/1043300233.db2.gz BJGZOLHUNBDHNO-QGZVFWFLSA-N -1 0 326.396 3.627 20 0 EHADRM O=S(=O)(Cc1ccc(C(F)(F)F)cc1)c1nc2ccccc2[n-]1 ZINC000047940142 1043847798 /nfs/dbraw/zinc/84/77/98/1043847798.db2.gz IZFPSDHHHIJEJX-UHFFFAOYSA-N -1 0 340.326 3.556 20 0 EHADRM C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)N=c1[n-]nc(C(F)F)s1 ZINC000348923506 1044115228 /nfs/dbraw/zinc/11/52/28/1044115228.db2.gz WWRRCZLTUJCKQQ-DTWKUNHWSA-N -1 0 332.420 3.576 20 0 EHADRM CCCc1ccc(C([O-])=CS(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000391369038 1044424239 /nfs/dbraw/zinc/42/42/39/1044424239.db2.gz RXCTXGYBZWUGNU-UHFFFAOYSA-N -1 0 330.449 3.913 20 0 EHADRM CCc1nc([N-]S(=O)(=O)c2cccc(SC)c2)sc1C ZINC000337767443 1044427618 /nfs/dbraw/zinc/42/76/18/1044427618.db2.gz NEXJYTLTXUGEJQ-UHFFFAOYSA-N -1 0 328.484 3.537 20 0 EHADRM Cc1ccc(C2CC2)c(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)c1 ZINC000644874683 1044485450 /nfs/dbraw/zinc/48/54/50/1044485450.db2.gz MHYOAVVIPSPKSN-LJQANCHMSA-N -1 0 335.403 3.697 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)ccc1Cl ZINC000432640983 1044566339 /nfs/dbraw/zinc/56/63/39/1044566339.db2.gz HBOQJVGLUPJSKV-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM O=C(CCCc1ccc(O)c(F)c1)N[C@@H]1CCOc2c(F)cccc21 ZINC000344870892 1044567874 /nfs/dbraw/zinc/56/78/74/1044567874.db2.gz TYQFWSHXVLOHDC-MRXNPFEDSA-N -1 0 347.361 3.633 20 0 EHADRM O=S(=O)(N[C@H]1CC[C@H](F)C1)c1ccc(Cl)cc1C(F)(F)F ZINC000344925030 1044697256 /nfs/dbraw/zinc/69/72/56/1044697256.db2.gz XCFSLGIACPMJDA-IUCAKERBSA-N -1 0 345.745 3.528 20 0 EHADRM C[C@@H](NC(=O)c1ccc(F)cc1[O-])c1nc(-c2ccncc2)cs1 ZINC000154389100 1125716255 /nfs/dbraw/zinc/71/62/55/1125716255.db2.gz GTBXFWIIFUOKDN-SNVBAGLBSA-N -1 0 343.383 3.541 20 0 EHADRM COc1cccc(OCC(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC000154687071 1125745439 /nfs/dbraw/zinc/74/54/39/1125745439.db2.gz IQBXOVGNCGLRJU-UHFFFAOYSA-N -1 0 342.178 3.725 20 0 EHADRM O=C(Nc1ccc(OC(F)F)nc1)c1cccc(C(F)(F)F)c1[O-] ZINC000622588431 1126724845 /nfs/dbraw/zinc/72/48/45/1126724845.db2.gz HKRLEJFEKPOYAX-UHFFFAOYSA-N -1 0 348.227 3.660 20 0 EHADRM O=S(=O)([N-]c1cccc2cccnc21)c1cc(F)ccc1Cl ZINC000171262420 1126758686 /nfs/dbraw/zinc/75/86/86/1126758686.db2.gz RRHGKYUEJVBRNG-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000172122591 1126781681 /nfs/dbraw/zinc/78/16/81/1126781681.db2.gz XHEOPLPXCXTNIQ-ZDUSSCGKSA-N -1 0 329.400 3.575 20 0 EHADRM O=S(=O)([N-]c1ccc(N2CCCCCC2)cc1)c1cccs1 ZINC000072700489 1126856722 /nfs/dbraw/zinc/85/67/22/1126856722.db2.gz VMDCFSDDGWSUEA-UHFFFAOYSA-N -1 0 336.482 3.929 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)Cc2ccccc2)c1 ZINC000181860068 1127299567 /nfs/dbraw/zinc/29/95/67/1127299567.db2.gz RHMORLLIHFSJSR-UHFFFAOYSA-N -1 0 329.421 3.576 20 0 EHADRM Cc1c(Cl)cccc1NC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000325094336 1127310074 /nfs/dbraw/zinc/31/00/74/1127310074.db2.gz QSEYSMATOBWWFV-MRXNPFEDSA-N -1 0 344.798 3.692 20 0 EHADRM CC(C)(CNC(=O)c1cc(F)c(F)c([O-])c1F)c1cccc(F)c1 ZINC000182731289 1127345708 /nfs/dbraw/zinc/34/57/08/1127345708.db2.gz UWKUUJZVEMWNFU-UHFFFAOYSA-N -1 0 341.304 3.656 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ncc(Cc3ccccc3)s2)c(C)o1 ZINC000183107173 1127363140 /nfs/dbraw/zinc/36/31/40/1127363140.db2.gz DKNGZKKTAZEPGA-UHFFFAOYSA-N -1 0 348.449 3.745 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)[N-]S(=O)(=O)[C@@H](C)C(F)(F)F ZINC000184301700 1127400841 /nfs/dbraw/zinc/40/08/41/1127400841.db2.gz NCGQGMFVVCPHLI-NEPJUHHUSA-N -1 0 337.407 3.613 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)[N-]S(=O)(=O)[C@@H](C)C(F)(F)F ZINC000184301682 1127400929 /nfs/dbraw/zinc/40/09/29/1127400929.db2.gz NCGQGMFVVCPHLI-RYUDHWBXSA-N -1 0 337.407 3.613 20 0 EHADRM O=C(Nc1ccn(Cc2ccccc2)n1)c1cc(F)c([O-])c(Cl)c1 ZINC000184329320 1127401853 /nfs/dbraw/zinc/40/18/53/1127401853.db2.gz BKAWOXQTAAHALJ-UHFFFAOYSA-N -1 0 345.761 3.682 20 0 EHADRM Cc1ccc(/C=C/S(=O)(=O)[N-]c2ccn(CCC(C)C)n2)cc1 ZINC000765100897 1127574304 /nfs/dbraw/zinc/57/43/04/1127574304.db2.gz BBBDFCPIFIFHLC-JLHYYAGUSA-N -1 0 333.457 3.650 20 0 EHADRM O=S(=O)([N-]c1cccc(C(F)F)c1)c1cnc(Cl)c(F)c1 ZINC000386277040 1127655342 /nfs/dbraw/zinc/65/53/42/1127655342.db2.gz CZTCTLYWPQETSI-UHFFFAOYSA-N -1 0 336.722 3.613 20 0 EHADRM O=S(=O)([N-]c1ccc(C(F)(F)C(F)(F)F)cc1)c1ccoc1 ZINC000671659899 1127767031 /nfs/dbraw/zinc/76/70/31/1127767031.db2.gz BGYBKDNGDWKXIT-UHFFFAOYSA-N -1 0 341.257 3.735 20 0 EHADRM O=S(=O)(CCc1ccccc1)[N-]c1csc(-c2ccccc2)n1 ZINC000671663200 1127774017 /nfs/dbraw/zinc/77/40/17/1127774017.db2.gz FSKAHDLOVWYNDZ-UHFFFAOYSA-N -1 0 344.461 3.795 20 0 EHADRM O=S(=O)([N-]c1ccn(-c2ccccc2)n1)c1ccc2ccccc2c1 ZINC000043998216 1127930084 /nfs/dbraw/zinc/93/00/84/1127930084.db2.gz YRGLDGHFKOUXGK-UHFFFAOYSA-N -1 0 349.415 3.826 20 0 EHADRM Cc1ccc(S[C@@H](C)C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000347506082 1128022716 /nfs/dbraw/zinc/02/27/16/1128022716.db2.gz AHCDBFAGSRUXMM-LSDHHAIUSA-N -1 0 335.469 3.579 20 0 EHADRM CCCCc1ccccc1[N-]S(=O)(=O)c1ccccc1C(=O)OC ZINC000141243797 1128286214 /nfs/dbraw/zinc/28/62/14/1128286214.db2.gz TWAHIWMZQIWNTB-UHFFFAOYSA-N -1 0 347.436 3.617 20 0 EHADRM CC(C)c1n[n-]c(=N[C@@H](C)c2cc(F)c(Br)cc2F)o1 ZINC000624507377 1128380645 /nfs/dbraw/zinc/38/06/45/1128380645.db2.gz VZPURCMFRPINAY-ZETCQYMHSA-N -1 0 346.175 3.829 20 0 EHADRM O=S(=O)([N-]c1cc(F)cc(C(F)(F)F)c1)c1cccc(F)c1 ZINC000107074971 1128381726 /nfs/dbraw/zinc/38/17/26/1128381726.db2.gz UBTJZBCLPJGXFF-UHFFFAOYSA-N -1 0 337.269 3.784 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)s2)sc1C ZINC000352856710 1128455749 /nfs/dbraw/zinc/45/57/49/1128455749.db2.gz FOVLUAHRWGJOQJ-UHFFFAOYSA-N -1 0 342.389 3.641 20 0 EHADRM C[C@H](c1cc(Cl)ccc1Cl)N1CCSC[C@@H]1CC(=O)[O-] ZINC000091133756 1128456196 /nfs/dbraw/zinc/45/61/96/1128456196.db2.gz BHWVLQXYQXWOIA-KOLCDFICSA-N -1 0 334.268 3.947 20 0 EHADRM COc1cccc(-c2nc(-c3ccc4[n-]c(=S)sc4c3)no2)n1 ZINC001212407700 1128462202 /nfs/dbraw/zinc/46/22/02/1128462202.db2.gz FXMCKVDGQREAJM-UHFFFAOYSA-N -1 0 342.405 3.706 20 0 EHADRM CCC[C@H](NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655859568 1128509094 /nfs/dbraw/zinc/50/90/94/1128509094.db2.gz MWJPGTBZEUUYOR-XBVQOTNRSA-N -1 0 346.471 3.962 20 0 EHADRM CC(C)[C@@H](NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655858935 1128509106 /nfs/dbraw/zinc/50/91/06/1128509106.db2.gz BPXDJZDVKHAPSY-XLNGHYISSA-N -1 0 346.471 3.818 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cc(C)ccc2F)cc1Cl ZINC000055558226 1128523006 /nfs/dbraw/zinc/52/30/06/1128523006.db2.gz JISIHWNHQGTBRZ-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccccc1OC ZINC000055644625 1128525913 /nfs/dbraw/zinc/52/59/13/1128525913.db2.gz CJUUXPSGFJZMAR-UHFFFAOYSA-N -1 0 335.425 3.593 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000268480556 1128540470 /nfs/dbraw/zinc/54/04/70/1128540470.db2.gz YQLAGHLZFRSBHH-NFAWXSAZSA-N -1 0 343.402 3.510 20 0 EHADRM Clc1ccc(CN=c2[n-]nc(-c3cc4c(s3)CCCC4)o2)o1 ZINC000542749390 1128571866 /nfs/dbraw/zinc/57/18/66/1128571866.db2.gz QCDXNTNFGDULGU-UHFFFAOYSA-N -1 0 335.816 3.957 20 0 EHADRM C[C@H](NCc1ccc(C(=O)[O-])s1)c1nc(C(F)(F)F)cs1 ZINC000903684686 1128572587 /nfs/dbraw/zinc/57/25/87/1128572587.db2.gz FXCITPXHUIKBPE-LURJTMIESA-N -1 0 336.360 3.772 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)s1 ZINC000108439195 1128635635 /nfs/dbraw/zinc/63/56/35/1128635635.db2.gz IZEZZBXEGSNZTE-UHFFFAOYSA-N -1 0 336.463 3.981 20 0 EHADRM CC[C@@H](NC(=O)Nc1cc(Cl)c(Cl)c(Cl)c1)C(=O)[O-] ZINC000404213911 1128680318 /nfs/dbraw/zinc/68/03/18/1128680318.db2.gz ASALPHMKGABUTD-MRVPVSSYSA-N -1 0 325.579 3.632 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1ccc(NCCc2ccccc2)cc1 ZINC000656231996 1128827392 /nfs/dbraw/zinc/82/73/92/1128827392.db2.gz SDWPMMZJNLKNLY-UHFFFAOYSA-N -1 0 340.423 3.925 20 0 EHADRM O=C(Nc1cc(Br)c(F)cc1F)c1cccc(F)c1[O-] ZINC001128165226 1128850873 /nfs/dbraw/zinc/85/08/73/1128850873.db2.gz QUCALJRTCRFSEO-UHFFFAOYSA-N -1 0 346.102 3.824 20 0 EHADRM O=C(Nc1cncc(C(F)(F)F)c1)c1cc(F)c([O-])c(Cl)c1 ZINC001648846523 1120053557 /nfs/dbraw/zinc/05/35/57/1120053557.db2.gz DNROKFSRNTZUKB-UHFFFAOYSA-N -1 0 334.656 3.851 20 0 EHADRM COc1cccc([C@@H]2C[C@H]2CNC(=O)c2cc(F)cc(Cl)c2[O-])c1 ZINC001648846417 1120053646 /nfs/dbraw/zinc/05/36/46/1120053646.db2.gz CEHWCVBFNWESCE-FZMZJTMJSA-N -1 0 349.789 3.727 20 0 EHADRM CC[C@@H]1CN(C(=O)c2c([O-])cc(Cl)cc2Cl)C[C@H](CC)O1 ZINC001648852319 1120054570 /nfs/dbraw/zinc/05/45/70/1120054570.db2.gz ZAUHITDQPAHHPN-PHIMTYICSA-N -1 0 332.227 3.729 20 0 EHADRM Cc1cnn(CC2CC2)c1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000066254603 1120057579 /nfs/dbraw/zinc/05/75/79/1120057579.db2.gz IYKHLGBXYAFEQF-UHFFFAOYSA-N -1 0 347.484 3.636 20 0 EHADRM Cc1ccccc1[C@@H](C)N(C)S(=O)(=O)c1cccc(Cl)c1[O-] ZINC001670699877 1120103597 /nfs/dbraw/zinc/10/35/97/1120103597.db2.gz HCHBUDPZRPTVME-GFCCVEGCSA-N -1 0 339.844 3.736 20 0 EHADRM CC(C)c1cnc(SCC(=O)[N-]OCc2ccccc2)n1C1CC1 ZINC000129205674 1120143263 /nfs/dbraw/zinc/14/32/63/1120143263.db2.gz RQTJORIHQXBUHT-UHFFFAOYSA-N -1 0 345.468 3.682 20 0 EHADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(F)c2ccccc21 ZINC000226146994 1120166391 /nfs/dbraw/zinc/16/63/91/1120166391.db2.gz LCNMHVXDDLWOCP-UHFFFAOYSA-N -1 0 331.368 3.788 20 0 EHADRM O=C([O-])c1ccc(Nc2cccc3cc(Br)cnc32)cn1 ZINC000227867793 1120189003 /nfs/dbraw/zinc/18/90/03/1120189003.db2.gz MDZOBWWHQUCKKX-UHFFFAOYSA-N -1 0 344.168 3.834 20 0 EHADRM CC[C@H](NCc1ccc(-c2ccc(C)cc2)o1)c1nc(C(=O)[O-])c[nH]1 ZINC000904065946 1120351359 /nfs/dbraw/zinc/35/13/59/1120351359.db2.gz WHWRNWBEMWHTQX-HNNXBMFYSA-N -1 0 339.395 3.917 20 0 EHADRM CC[C@H](NCc1cccc(OC2CCCC2)c1)c1nc(C(=O)[O-])c[nH]1 ZINC000904064792 1120351716 /nfs/dbraw/zinc/35/17/16/1120351716.db2.gz MSSGQRXPJQYUQD-INIZCTEOSA-N -1 0 343.427 3.670 20 0 EHADRM CSc1cccc(C)c1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000185338002 1120409617 /nfs/dbraw/zinc/40/96/17/1120409617.db2.gz NBELVTDRYHHMQX-UHFFFAOYSA-N -1 0 347.383 3.935 20 0 EHADRM O=C(COCc1ccccc1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000185470550 1120415584 /nfs/dbraw/zinc/41/55/84/1120415584.db2.gz FFRSXWRDCHTENY-UHFFFAOYSA-N -1 0 326.179 3.854 20 0 EHADRM CC(C)CC1CCN(C(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)CC1 ZINC000761602855 1120434720 /nfs/dbraw/zinc/43/47/20/1120434720.db2.gz NBRYGSGNQYKVJS-UHFFFAOYSA-N -1 0 345.468 3.522 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(OC(F)F)c(F)c1 ZINC000186957158 1120481839 /nfs/dbraw/zinc/48/18/39/1120481839.db2.gz YKEONHDOKXJUSJ-UHFFFAOYSA-N -1 0 349.305 3.675 20 0 EHADRM Cc1nc([N-]S(=O)(=O)c2ccccc2C(C)C)cc(C2CC2)n1 ZINC000191029434 1120659117 /nfs/dbraw/zinc/65/91/17/1120659117.db2.gz WJEIAGMTAJDEQG-UHFFFAOYSA-N -1 0 331.441 3.587 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1ccnc(OC2CCCCC2)c1 ZINC000761677944 1120790693 /nfs/dbraw/zinc/79/06/93/1120790693.db2.gz IVARHWCKWBDXEV-UHFFFAOYSA-N -1 0 348.443 3.558 20 0 EHADRM CCCCOc1ccc(OC)cc1NC(=O)c1ccc(C(=O)[O-])s1 ZINC000262291473 1120802646 /nfs/dbraw/zinc/80/26/46/1120802646.db2.gz YRKBEMPWVZNUME-UHFFFAOYSA-N -1 0 349.408 3.886 20 0 EHADRM O=C([O-])CCC1CC[NH+](Cc2cccc(F)c2Br)CC1 ZINC000156965299 1128942764 /nfs/dbraw/zinc/94/27/64/1128942764.db2.gz OKLIMXPKMGXRHE-UHFFFAOYSA-N -1 0 344.224 3.665 20 0 EHADRM O=S(=O)([N-]c1ccc2ncsc2c1)c1ccc(F)c(F)c1F ZINC000194157493 1120825606 /nfs/dbraw/zinc/82/56/06/1120825606.db2.gz DWSBZWBEHZIEFV-UHFFFAOYSA-N -1 0 344.339 3.514 20 0 EHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000761744141 1120867243 /nfs/dbraw/zinc/86/72/43/1120867243.db2.gz KZPQNHDINIHSIV-QAAVPBIRSA-N -1 0 343.810 3.728 20 0 EHADRM O=C(Nc1nc2ccccc2n1C1CC1)c1cccc(Cl)c1[O-] ZINC001127307343 1120873406 /nfs/dbraw/zinc/87/34/06/1120873406.db2.gz JPITXXCYJMINHW-UHFFFAOYSA-N -1 0 327.771 3.983 20 0 EHADRM CCC(CC)N(CC)C(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC000494843400 1120887676 /nfs/dbraw/zinc/88/76/76/1120887676.db2.gz AQCWEDLBPOFKTO-UHFFFAOYSA-N -1 0 333.407 3.676 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)c1C ZINC000761970737 1121024686 /nfs/dbraw/zinc/02/46/86/1121024686.db2.gz QTBSQILGJJURHB-UHFFFAOYSA-N -1 0 346.836 3.705 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)c2cc3c(cccc3F)s2)C1 ZINC000324388179 1121107907 /nfs/dbraw/zinc/10/79/07/1121107907.db2.gz LWFKYKMOWPKSFB-QGZVFWFLSA-N -1 0 335.400 3.613 20 0 EHADRM CC1CCC(=CC(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)CC1 ZINC000762239793 1121198395 /nfs/dbraw/zinc/19/83/95/1121198395.db2.gz XROZFWXDVFCFAE-KPMSDPLLSA-N -1 0 329.440 3.715 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)c1ccc(Cl)c(F)c1 ZINC000499536307 1128970965 /nfs/dbraw/zinc/97/09/65/1128970965.db2.gz BBBDLCPBTMBTQP-UHFFFAOYSA-N -1 0 327.746 3.610 20 0 EHADRM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-][C@@H]1CCCC1(F)F ZINC000672429864 1128977830 /nfs/dbraw/zinc/97/78/30/1128977830.db2.gz SOZRCMPZVCIUHF-LLVKDONJSA-N -1 0 344.210 3.601 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2nc3c(s2)c(C)ccc3C)cc1 ZINC000008864641 1128977843 /nfs/dbraw/zinc/97/78/43/1128977843.db2.gz CUJLMGDLFHUUSS-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)c3ccc(F)cc3[O-])c2)[nH]c1C ZINC000750537590 1121347879 /nfs/dbraw/zinc/34/78/79/1121347879.db2.gz QTSXWUCRSRQWTC-UHFFFAOYSA-N -1 0 325.343 3.791 20 0 EHADRM C[C@H](Cc1ccccc1Cl)NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000762577146 1121365929 /nfs/dbraw/zinc/36/59/29/1121365929.db2.gz WJQVVNVCDXFWJV-SECBINFHSA-N -1 0 325.742 3.685 20 0 EHADRM CC(C)C[C@@H](NC(=O)[C@@H](c1cccc(Cl)c1)C(C)C)C(=O)[O-] ZINC000236791477 1121463641 /nfs/dbraw/zinc/46/36/41/1121463641.db2.gz WOWCWFABSFQPPN-HUUCEWRRSA-N -1 0 325.836 3.695 20 0 EHADRM O=C([O-])CNC(=O)c1ccc(Nc2ccc(C3CCCC3)cc2)cc1 ZINC001212457695 1128986629 /nfs/dbraw/zinc/98/66/29/1128986629.db2.gz MILPAJGOVRCARV-UHFFFAOYSA-N -1 0 338.407 3.902 20 0 EHADRM CC[C@H](C(=O)N[C@H](CC(C)C)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000237085606 1121473213 /nfs/dbraw/zinc/47/32/13/1121473213.db2.gz NWBYZOPCLLWWBD-UONOGXRCSA-N -1 0 345.361 3.815 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)/C=C/c2ccc(OC(F)F)cc2)c1 ZINC000238110981 1121502713 /nfs/dbraw/zinc/50/27/13/1121502713.db2.gz WRFMPWANMWRLCF-RMKNXTFCSA-N -1 0 347.317 3.567 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)c2cc3ccccc3s2)cc1 ZINC000238096710 1121502732 /nfs/dbraw/zinc/50/27/32/1121502732.db2.gz BVHFPNWOBAMNBP-UHFFFAOYSA-N -1 0 325.389 3.572 20 0 EHADRM O=C(COc1ccc(Cl)cc1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000762961978 1121614135 /nfs/dbraw/zinc/61/41/35/1121614135.db2.gz FQTHFZMVGVXLKK-UHFFFAOYSA-N -1 0 334.784 3.787 20 0 EHADRM CCSc1ccc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)cn1 ZINC000762964936 1121617214 /nfs/dbraw/zinc/61/72/14/1121617214.db2.gz RGDJHPBGBPLCRV-UHFFFAOYSA-N -1 0 331.422 3.876 20 0 EHADRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)sc1C ZINC000915816002 1121644646 /nfs/dbraw/zinc/64/46/46/1121644646.db2.gz UQZYFTAMXAMFNM-UHFFFAOYSA-N -1 0 345.445 3.637 20 0 EHADRM O=C(CCOc1ccc(F)cc1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000763001874 1121649856 /nfs/dbraw/zinc/64/98/56/1121649856.db2.gz ULJGJVRNHUDSBB-UHFFFAOYSA-N -1 0 332.356 3.663 20 0 EHADRM CC(C)(C)c1ccc(/C=C\C(=O)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000915818847 1121652184 /nfs/dbraw/zinc/65/21/84/1121652184.db2.gz DNFVDUOBGANXFT-FLIBITNWSA-N -1 0 349.477 3.564 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@H]2[N-]C(=O)C(F)(F)F ZINC000496982161 1122237204 /nfs/dbraw/zinc/23/72/04/1122237204.db2.gz AGUNKTIVCLGOTO-GFCCVEGCSA-N -1 0 344.333 3.699 20 0 EHADRM CCOCCOCc1cccc(NC(=O)c2c([O-])cccc2F)c1C ZINC000127616780 1122497663 /nfs/dbraw/zinc/49/76/63/1122497663.db2.gz VTDWUCFREBETPI-UHFFFAOYSA-N -1 0 347.386 3.645 20 0 EHADRM Cc1cc(C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)ncn1 ZINC000127672232 1122501548 /nfs/dbraw/zinc/50/15/48/1122501548.db2.gz RRLAHZGYTONHTM-UHFFFAOYSA-N -1 0 332.574 3.703 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cnc3ccccc3c2)c1 ZINC000497862343 1122685251 /nfs/dbraw/zinc/68/52/51/1122685251.db2.gz JZECLZLORSUHCX-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM CC(C)n1ncc2ccc(NC(=O)c3c([O-])cc(F)cc3F)cc21 ZINC000194527826 1122723294 /nfs/dbraw/zinc/72/32/94/1122723294.db2.gz GUVKREQHZZFFPD-UHFFFAOYSA-N -1 0 331.322 3.853 20 0 EHADRM CCCc1nc(=NC(=O)N(C)Cc2cccc3ccccc32)s[n-]1 ZINC000556093494 1122809601 /nfs/dbraw/zinc/80/96/01/1122809601.db2.gz JAPUHAIWVLMEJU-UHFFFAOYSA-N -1 0 340.452 3.730 20 0 EHADRM Cc1cc(Br)cc(-c2noc(-c3ncccc3O)n2)c1 ZINC001212480942 1129083784 /nfs/dbraw/zinc/08/37/84/1129083784.db2.gz QQGQJJNTFSUDBN-UHFFFAOYSA-N -1 0 332.157 3.575 20 0 EHADRM Cc1ccccc1-c1n[n-]c(=NCc2cccc3c2OC(C)(C)C3)o1 ZINC000556265586 1122906006 /nfs/dbraw/zinc/90/60/06/1122906006.db2.gz BNDCAVVYVJPMPZ-UHFFFAOYSA-N -1 0 335.407 3.793 20 0 EHADRM Cc1oc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)nc1C1CC1 ZINC000556265258 1122906548 /nfs/dbraw/zinc/90/65/48/1122906548.db2.gz GDKMODXTDJLOKM-UHFFFAOYSA-N -1 0 347.223 3.968 20 0 EHADRM Cc1ccccc1-c1n[n-]c(=NCc2csc(-c3ccccn3)n2)o1 ZINC000556274926 1122912142 /nfs/dbraw/zinc/91/21/42/1122912142.db2.gz HYIWZCACKWMPIP-UHFFFAOYSA-N -1 0 349.419 3.598 20 0 EHADRM CCCc1nc(C)c([N-]S(=O)(=O)c2cc(Cl)ccc2F)s1 ZINC000556352155 1122942511 /nfs/dbraw/zinc/94/25/11/1122942511.db2.gz MVYBVHPJSRCHHA-UHFFFAOYSA-N -1 0 348.852 3.997 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-][C@@H](C(C)(C)C)C(F)(F)F)c(F)c1 ZINC000683709186 1122961560 /nfs/dbraw/zinc/96/15/60/1122961560.db2.gz YUTAAWCYKXKFGW-LBPRGKRZSA-N -1 0 341.370 3.531 20 0 EHADRM C[C@H](CC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-])Cc1cccc(F)c1 ZINC000262841884 1122995585 /nfs/dbraw/zinc/99/55/85/1122995585.db2.gz RKHGCQGLRAOATG-URKNILKWSA-N -1 0 335.419 3.544 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]C(=O)CCC(C)(C)c1ccccc1 ZINC000154958974 1123028485 /nfs/dbraw/zinc/02/84/85/1123028485.db2.gz WCUQQAGMNWCKSU-UHFFFAOYSA-N -1 0 345.464 3.558 20 0 EHADRM CCC/C(C)=C/C(=O)[N-]S(=O)(=O)c1cc(C(C)(C)C)ccc1C ZINC000920321496 1123356881 /nfs/dbraw/zinc/35/68/81/1123356881.db2.gz NRWAZRRNHDIQFT-ACCUITESSA-N -1 0 337.485 3.844 20 0 EHADRM O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1c([O-])cccc1Cl ZINC000920435388 1123373575 /nfs/dbraw/zinc/37/35/75/1123373575.db2.gz MMXDABVTPSQXEY-UHFFFAOYSA-N -1 0 327.670 3.619 20 0 EHADRM COCc1cc(NC(=O)[C@@H]2CCCC[C@@H]2C2CC2)cc(C(=O)[O-])c1 ZINC000649249015 1123385114 /nfs/dbraw/zinc/38/51/14/1123385114.db2.gz LHYCUORZKXQRJS-IAGOWNOFSA-N -1 0 331.412 3.686 20 0 EHADRM Cc1ccc(C(C)C)cc1OCC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000236629246 1123441275 /nfs/dbraw/zinc/44/12/75/1123441275.db2.gz VPRHVTMEWLZNFH-UHFFFAOYSA-N -1 0 345.370 3.973 20 0 EHADRM O=C([O-])C1CCC(CC(=O)NC2(c3cccc(F)c3)CCC2)CC1 ZINC000649259205 1123467055 /nfs/dbraw/zinc/46/70/55/1123467055.db2.gz VAIGHDJXLMTAOS-UHFFFAOYSA-N -1 0 333.403 3.602 20 0 EHADRM CCC(CC)(CNC(=O)C1(c2cccc(C)c2)CCCC1)C(=O)[O-] ZINC000236827975 1123473855 /nfs/dbraw/zinc/47/38/55/1123473855.db2.gz SBALTXQVKRRPTF-UHFFFAOYSA-N -1 0 331.456 3.814 20 0 EHADRM O=C(Nc1ccc(OCC(F)(F)F)cc1)c1c([O-])cc(F)cc1F ZINC000066043258 1129125490 /nfs/dbraw/zinc/12/54/90/1129125490.db2.gz WABYLRCQHFOQTJ-UHFFFAOYSA-N -1 0 347.239 3.864 20 0 EHADRM O=C(c1cc(Oc2ccccc2)ccc1O)N1CCOC2(CCC2)C1 ZINC000134190596 1123499465 /nfs/dbraw/zinc/49/94/65/1123499465.db2.gz FGPJUMPZYVEJEH-UHFFFAOYSA-N -1 0 339.391 3.580 20 0 EHADRM CN(Cc1ccccc1C(F)(F)F)C(=O)c1c([O-])cc(F)cc1F ZINC000066043954 1129125872 /nfs/dbraw/zinc/12/58/72/1129125872.db2.gz WKCABXRFVCVSPS-UHFFFAOYSA-N -1 0 345.267 3.961 20 0 EHADRM C[C@H](NC(=O)c1c([O-])cc(F)cc1F)c1cccc(OC(F)F)c1 ZINC000066046158 1129126361 /nfs/dbraw/zinc/12/63/61/1129126361.db2.gz IOCVASFYDACTQC-QMMMGPOBSA-N -1 0 343.276 3.763 20 0 EHADRM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1ccc(C(=O)[O-])s1 ZINC000237567938 1123525288 /nfs/dbraw/zinc/52/52/88/1123525288.db2.gz ZVVBTWKSQCALOE-VFZGTOFNSA-N -1 0 333.384 3.639 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000077108388 1123534082 /nfs/dbraw/zinc/53/40/82/1123534082.db2.gz OXXIETLNMIIAEF-CYBMUJFWSA-N -1 0 333.790 3.890 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1F ZINC000078967922 1123658491 /nfs/dbraw/zinc/65/84/91/1123658491.db2.gz XLWLXTKYRXXMDC-UHFFFAOYSA-N -1 0 333.306 3.954 20 0 EHADRM CCN(C(=O)c1nn(-c2ccc(F)cc2C)cc1[O-])C1CCCCC1 ZINC000080467965 1123754373 /nfs/dbraw/zinc/75/43/73/1123754373.db2.gz HDTIRLJTVDQFCO-UHFFFAOYSA-N -1 0 345.418 3.820 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@H](C)Cc1ccccc1F ZINC000237561076 1123769539 /nfs/dbraw/zinc/76/95/39/1123769539.db2.gz UYVDMLNLCGSPLF-KDOFPFPSSA-N -1 0 343.398 3.645 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cnn1CCC(C)C ZINC000137806516 1123776869 /nfs/dbraw/zinc/77/68/69/1123776869.db2.gz YDSBINLTQFIZJF-UHFFFAOYSA-N -1 0 347.484 3.527 20 0 EHADRM Cc1c(O)cccc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000085203486 1123793343 /nfs/dbraw/zinc/79/33/43/1123793343.db2.gz DUONFHFKTIBYSA-UHFFFAOYSA-N -1 0 338.237 3.870 20 0 EHADRM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)CCCCC(=O)[O-] ZINC000263334463 1123806269 /nfs/dbraw/zinc/80/62/69/1123806269.db2.gz VYLLVLSNEPTYJC-LBPRGKRZSA-N -1 0 326.462 3.739 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CCC[C@H](c3ccccc3)CC2)C1 ZINC000179997069 1123918848 /nfs/dbraw/zinc/91/88/48/1123918848.db2.gz GXYWTNVGYUBCHP-KSZLIROESA-N -1 0 329.440 3.674 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)[C@@H]2SCCc3sccc32)cc1 ZINC000237947723 1123925769 /nfs/dbraw/zinc/92/57/69/1123925769.db2.gz JZAXOIFHEZXFRF-WUTVXBCWSA-N -1 0 345.445 3.815 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000237995210 1123936933 /nfs/dbraw/zinc/93/69/33/1123936933.db2.gz QYEIIIXLFXAFKH-OAHLLOKOSA-N -1 0 345.370 3.945 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000238109153 1123988417 /nfs/dbraw/zinc/98/84/17/1123988417.db2.gz BEGVSYKNBPBSKM-UHFFFAOYSA-N -1 0 346.402 3.771 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)Cc2ccccc2C(F)(F)F)cc1 ZINC000238149316 1123997194 /nfs/dbraw/zinc/99/71/94/1123997194.db2.gz AKGZEGIEOUWVMM-JXMROGBWSA-N -1 0 349.308 3.984 20 0 EHADRM CCC[C@H](C)CC(=O)Nc1cccc(-n2ncc(C(=O)[O-])c2C)c1 ZINC000263502826 1123999160 /nfs/dbraw/zinc/99/91/60/1123999160.db2.gz ZJTZYHAMAQTBBN-LBPRGKRZSA-N -1 0 329.400 3.644 20 0 EHADRM CC(C)(CO)[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1cccs1 ZINC000616854733 1124045528 /nfs/dbraw/zinc/04/55/28/1124045528.db2.gz YSGBNFFFMNTCPX-CQSZACIVSA-N -1 0 339.844 3.597 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)N=c1[n-]nc(C)s1)c1ccc(Cl)cc1 ZINC000466073848 1129176252 /nfs/dbraw/zinc/17/62/52/1129176252.db2.gz ZXMWAIZQOTWFFR-ZANVPECISA-N -1 0 338.864 3.831 20 0 EHADRM CC(C)[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)CC(C)(C)C ZINC000734713267 1131268886 /nfs/dbraw/zinc/26/88/86/1131268886.db2.gz UPGSIUPYGOBJCE-OAHLLOKOSA-N -1 0 331.522 3.721 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(N(C)C)c2C)c1 ZINC000181156030 1124608945 /nfs/dbraw/zinc/60/89/45/1124608945.db2.gz ZOHPSYFCRDFGTE-UHFFFAOYSA-N -1 0 338.860 3.824 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000649368432 1124609905 /nfs/dbraw/zinc/60/99/05/1124609905.db2.gz ADUJYAGKBFVDLX-BBWFWOEESA-N -1 0 329.440 3.672 20 0 EHADRM COc1cc(Oc2ccccc2)ccc1NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000263574784 1124640822 /nfs/dbraw/zinc/64/08/22/1124640822.db2.gz NYTWKCTURHDNAS-CABCVRRESA-N -1 0 341.363 3.537 20 0 EHADRM CCCOc1ccc(O[C@@H]2CCCC[C@@H]2[N-]C(=O)C(F)(F)F)cc1 ZINC000735062762 1131305549 /nfs/dbraw/zinc/30/55/49/1131305549.db2.gz NLLCWCFSVDYSHZ-LSDHHAIUSA-N -1 0 345.361 3.844 20 0 EHADRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCCOC(C)C ZINC000181468896 1124869173 /nfs/dbraw/zinc/86/91/73/1124869173.db2.gz VKKGHVLSNJKXHL-OAHLLOKOSA-N -1 0 326.396 3.573 20 0 EHADRM COc1cccc([C@@H](C)C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC000181711065 1125018471 /nfs/dbraw/zinc/01/84/71/1125018471.db2.gz BEXUALVQOVUPAD-RUNBWSAHSA-N -1 0 325.364 3.535 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2OC(C)C)cnc1Cl ZINC000735267758 1131327805 /nfs/dbraw/zinc/32/78/05/1131327805.db2.gz ZDHIXEIAZBRSGH-UHFFFAOYSA-N -1 0 340.832 3.631 20 0 EHADRM O=C(Nc1cccc(F)c1)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000618492556 1125090778 /nfs/dbraw/zinc/09/07/78/1125090778.db2.gz FWXAGZOTPMGCBB-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM Cc1c(C(F)(F)F)[n-][nH]c1=NC(=O)c1cc2cc(F)ccc2s1 ZINC000618485768 1125094512 /nfs/dbraw/zinc/09/45/12/1125094512.db2.gz MCZQYVBEKKYRGN-UHFFFAOYSA-N -1 0 343.305 3.765 20 0 EHADRM COc1ccccc1N=c1[n-]nc(S[C@@H]2C[C@H](C)CCC2=O)s1 ZINC000450635290 1125175872 /nfs/dbraw/zinc/17/58/72/1125175872.db2.gz JPKKVRTWMCQSIF-QMTHXVAHSA-N -1 0 349.481 3.562 20 0 EHADRM CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2cc(F)c([O-])c(F)c2)C12CCC2 ZINC000619100459 1125280974 /nfs/dbraw/zinc/28/09/74/1125280974.db2.gz AKYGFNLGJHOTQL-KGLIPLIRSA-N -1 0 339.382 3.527 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000619200702 1125314487 /nfs/dbraw/zinc/31/44/87/1125314487.db2.gz DAQSVRMHFZLOTK-XHDPSFHLSA-N -1 0 341.810 3.606 20 0 EHADRM O=C(N[C@H](c1ccccc1)C1CCCC1)c1n[n-]c2ccccc2c1=O ZINC000735519569 1131352343 /nfs/dbraw/zinc/35/23/43/1131352343.db2.gz DGVKBVSWWUJITD-GOSISDBHSA-N -1 0 347.418 3.997 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)/C=C/C2CCCCC2)cc1 ZINC000735596408 1131364306 /nfs/dbraw/zinc/36/43/06/1131364306.db2.gz MFACYKULGNKUKQ-SDNWHVSQSA-N -1 0 335.469 3.581 20 0 EHADRM O=C(NCCCCCc1ccccc1)c1cnc2ccccc2c1O ZINC000067939478 1129324405 /nfs/dbraw/zinc/32/44/05/1129324405.db2.gz SCOWGHXDKQBQTH-UHFFFAOYSA-N -1 0 334.419 3.671 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)nc1 ZINC000116603638 1129374421 /nfs/dbraw/zinc/37/44/21/1129374421.db2.gz ZZVAXFXPHVWNJK-UHFFFAOYSA-N -1 0 349.264 3.911 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1F)c1cc(F)ccc1F ZINC000358611796 1129405764 /nfs/dbraw/zinc/40/57/64/1129405764.db2.gz SETVSIFREVLVLF-OAHLLOKOSA-N -1 0 337.297 3.683 20 0 EHADRM Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1ncsc1C(C)C ZINC000673497523 1129467007 /nfs/dbraw/zinc/46/70/07/1129467007.db2.gz ODQJOXAWURMLGT-UHFFFAOYSA-N -1 0 347.465 3.924 20 0 EHADRM Cc1ccc(SCCNC(=O)c2ccc3[n-]c(=S)oc3c2)cc1 ZINC000735848458 1131385314 /nfs/dbraw/zinc/38/53/14/1131385314.db2.gz MTFMSCCHMZROFN-UHFFFAOYSA-N -1 0 344.461 3.947 20 0 EHADRM Cc1nc(C)c(CC(=O)Nc2ccccc2Nc2ccccc2)c(=O)[nH]1 ZINC000347725576 1129593937 /nfs/dbraw/zinc/59/39/37/1129593937.db2.gz FTNSOUSGXIWKRL-UHFFFAOYSA-N -1 0 348.406 3.724 20 0 EHADRM O=C(c1cc(O)ccc1Cl)N1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000391053121 1129647956 /nfs/dbraw/zinc/64/79/56/1129647956.db2.gz NOFSGHVGDZHXDV-KBRIMQKVSA-N -1 0 337.847 3.591 20 0 EHADRM O=C([O-])c1ccc2nc(/C=C\c3cnn(CC(F)(F)F)c3)ccc2c1 ZINC000361500038 1129726033 /nfs/dbraw/zinc/72/60/33/1129726033.db2.gz YWQQDZODBSLBEI-RJRFIUFISA-N -1 0 347.296 3.862 20 0 EHADRM Cc1noc(C(F)F)c1C(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC000673645672 1129741681 /nfs/dbraw/zinc/74/16/81/1129741681.db2.gz PNVVPAPAXXUGIL-UHFFFAOYSA-N -1 0 336.323 3.691 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)c(O)c1 ZINC000509102527 1129748823 /nfs/dbraw/zinc/74/88/23/1129748823.db2.gz HYOKJPAVTWQZIO-UHFFFAOYSA-N -1 0 345.342 3.829 20 0 EHADRM CC[C@@H](C)CN(C)c1ccc(F)cc1CN=c1[n-]nc(C2CC2)o1 ZINC000347825197 1129889375 /nfs/dbraw/zinc/88/93/75/1129889375.db2.gz RZEHZIMWAFLVGX-GFCCVEGCSA-N -1 0 332.423 3.602 20 0 EHADRM CCCn1ccc2ccc([N-]S(=O)(=O)c3c[nH]c(C(C)C)n3)cc21 ZINC000673884965 1129895374 /nfs/dbraw/zinc/89/53/74/1129895374.db2.gz MVFCDQVGPWERCQ-UHFFFAOYSA-N -1 0 346.456 3.699 20 0 EHADRM COc1cccc(-n2nccc2Nc2ccc(C(=O)[O-])c(F)c2F)c1 ZINC001212511842 1129916358 /nfs/dbraw/zinc/91/63/58/1129916358.db2.gz IHMBRONVLPOOIV-UHFFFAOYSA-N -1 0 345.305 3.601 20 0 EHADRM O=C([O-])c1ccc(Nc2ccnc(F)c2Br)c(F)c1F ZINC001212511941 1129917301 /nfs/dbraw/zinc/91/73/01/1129917301.db2.gz MYZMJRFMPIGDDN-UHFFFAOYSA-N -1 0 347.090 3.703 20 0 EHADRM COc1cnc2c(cccc2Nc2ccc(C(=O)[O-])c(F)c2F)c1 ZINC001212515695 1129929548 /nfs/dbraw/zinc/92/95/48/1129929548.db2.gz JZGKCBVBBMRJOT-UHFFFAOYSA-N -1 0 330.290 3.963 20 0 EHADRM O=C([O-])c1csc([C@H]2CCCN2C(=O)CCCc2ccccc2)n1 ZINC000827932067 1131411712 /nfs/dbraw/zinc/41/17/12/1131411712.db2.gz IJQTVQXCDLSYPN-OAHLLOKOSA-N -1 0 344.436 3.528 20 0 EHADRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc2ccccc2n1 ZINC000509212632 1129982629 /nfs/dbraw/zinc/98/26/29/1129982629.db2.gz RLGZGBPJFDVQJK-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)C1CC(C)(C)C1 ZINC000701502203 1130143051 /nfs/dbraw/zinc/14/30/51/1130143051.db2.gz VHWRLSZTKKIQSV-UHFFFAOYSA-N -1 0 340.217 3.830 20 0 EHADRM COCCCOc1cccc(C(=O)Nc2cccc(Cl)c2[O-])c1 ZINC000173478483 1130237392 /nfs/dbraw/zinc/23/73/92/1130237392.db2.gz FAEKKUAACWPVPF-UHFFFAOYSA-N -1 0 335.787 3.713 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000173478318 1130237420 /nfs/dbraw/zinc/23/74/20/1130237420.db2.gz ZKBIMRQEPCBQFZ-VXGBXAGGSA-N -1 0 345.782 3.559 20 0 EHADRM Cc1nc(CC(C)C)c(NC(=O)c2c([O-])cc(F)cc2F)s1 ZINC000675528084 1130422292 /nfs/dbraw/zinc/42/22/92/1130422292.db2.gz MJHSQRKYQFNUFR-UHFFFAOYSA-N -1 0 326.368 3.886 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)[C@@H]1CCCc2ccccc21 ZINC000675947284 1130507790 /nfs/dbraw/zinc/50/77/90/1130507790.db2.gz NFYCWTGLRGYNAI-LJQANCHMSA-N -1 0 337.419 3.610 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)N(CCC(=O)[O-])CC1CC1 ZINC000675969384 1130512363 /nfs/dbraw/zinc/51/23/63/1130512363.db2.gz BZGUPVFPFVNYGI-NSHDSACASA-N -1 0 341.860 3.534 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N(CCC(=O)[O-])CC1CC1 ZINC000675973717 1130513370 /nfs/dbraw/zinc/51/33/70/1130513370.db2.gz VNJZOJFQLHTJGH-UHFFFAOYSA-N -1 0 335.400 3.676 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCc2cccc(F)c2F)ccc1Cl ZINC000676003243 1130516156 /nfs/dbraw/zinc/51/61/56/1130516156.db2.gz ZNHIKSBRPJUSSI-UHFFFAOYSA-N -1 0 339.725 3.888 20 0 EHADRM CC(C)(C(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1ccc2ccccc2c1 ZINC000676218058 1130546687 /nfs/dbraw/zinc/54/66/87/1130546687.db2.gz FWAXDSSAUZENIH-HNNXBMFYSA-N -1 0 339.435 3.831 20 0 EHADRM CCCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(C)c1 ZINC000727951529 1130612570 /nfs/dbraw/zinc/61/25/70/1130612570.db2.gz VNPCFMWABJUYBJ-OAHLLOKOSA-N -1 0 325.474 3.797 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)[N-]S(=O)(=O)CC(C)(C)C ZINC000733058524 1130989568 /nfs/dbraw/zinc/98/95/68/1130989568.db2.gz NNSHFSSVWMMAPN-UHFFFAOYSA-N -1 0 343.832 3.500 20 0 EHADRM CCC(CC)CS(=O)(=O)[N-]C(=O)c1cc(Cl)sc1Cl ZINC000733059771 1130990400 /nfs/dbraw/zinc/99/04/00/1130990400.db2.gz CEIMADIDGRLHQX-UHFFFAOYSA-N -1 0 344.285 3.551 20 0 EHADRM Cc1ccc(N(C)C(=O)c2cc(=O)c3ccccc3[n-]2)cc1Cl ZINC000733268317 1131015732 /nfs/dbraw/zinc/01/57/32/1131015732.db2.gz LIDADMIAMNTOGV-UHFFFAOYSA-N -1 0 326.783 3.767 20 0 EHADRM CC(=O)Nc1ccc(NC(=O)c2c([O-])cccc2Cl)cc1Cl ZINC000144547957 1131166430 /nfs/dbraw/zinc/16/64/30/1131166430.db2.gz VRNMOFHTLPZQHU-UHFFFAOYSA-N -1 0 339.178 3.910 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)c2sccc2-c2ccccc2)C1 ZINC000379072275 1131169374 /nfs/dbraw/zinc/16/93/74/1131169374.db2.gz UOOLETKLADTYGY-OCCSQVGLSA-N -1 0 329.421 3.788 20 0 EHADRM CC[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)Cc1ccccc1 ZINC000734078863 1131190954 /nfs/dbraw/zinc/19/09/54/1131190954.db2.gz BVPTUMCXOJJNLO-KRWDZBQOSA-N -1 0 337.485 3.629 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)Cc1ccccc1 ZINC000734078864 1131191118 /nfs/dbraw/zinc/19/11/18/1131191118.db2.gz BVPTUMCXOJJNLO-QGZVFWFLSA-N -1 0 337.485 3.629 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)c2ncoc2-c2ccccc2)cc1 ZINC000738558218 1131472146 /nfs/dbraw/zinc/47/21/46/1131472146.db2.gz ISIPGKUEWGIQEN-FLIBITNWSA-N -1 0 334.331 3.692 20 0 EHADRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)C[C@H](CC)c1ccc(C)cc1 ZINC000739184298 1131493124 /nfs/dbraw/zinc/49/31/24/1131493124.db2.gz RVNIXTBWLKAGLM-CVEARBPZSA-N -1 0 339.501 3.761 20 0 EHADRM CCOc1ccc(CNC(=O)c2ccc3[n-]c(=S)oc3c2)cc1F ZINC000742251763 1131698211 /nfs/dbraw/zinc/69/82/11/1131698211.db2.gz ZREQGVBQZNFCFD-UHFFFAOYSA-N -1 0 346.383 3.584 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H](C)C2)c1C ZINC000744013552 1132007384 /nfs/dbraw/zinc/00/73/84/1132007384.db2.gz WLOQAVUBXDUYTI-MEDUHNTESA-N -1 0 337.485 3.551 20 0 EHADRM O=C(CCCC1CCCC1)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000744005598 1132007474 /nfs/dbraw/zinc/00/74/74/1132007474.db2.gz QAQOSGOHONDUBN-UHFFFAOYSA-N -1 0 329.849 3.505 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C)sc1C ZINC000773371003 1132031667 /nfs/dbraw/zinc/03/16/67/1132031667.db2.gz TVGICKGOPMVYSL-UHFFFAOYSA-N -1 0 336.482 3.548 20 0 EHADRM Fc1ccc(-c2nc(-c3ccc4[n-]c(=S)sc4c3)no2)cn1 ZINC001212732949 1132073221 /nfs/dbraw/zinc/07/32/21/1132073221.db2.gz UVOCYVOQDVJGHK-UHFFFAOYSA-N -1 0 330.369 3.836 20 0 EHADRM CC(=O)[N-]S(=O)(=O)c1ccc(Nc2ccc(C(C)(C)C)cc2)cc1 ZINC001173880742 1132178536 /nfs/dbraw/zinc/17/85/36/1132178536.db2.gz QJCMBGUTQBSNSK-UHFFFAOYSA-N -1 0 346.452 3.553 20 0 EHADRM COC(=O)c1cccc(Nc2c(Cl)c(F)[n-]c(=O)c2Cl)c1 ZINC001173962069 1132184501 /nfs/dbraw/zinc/18/45/01/1132184501.db2.gz GPMKVTOVRZGROI-UHFFFAOYSA-N -1 0 331.130 3.763 20 0 EHADRM CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000745967415 1132341127 /nfs/dbraw/zinc/34/11/27/1132341127.db2.gz HSNZWKNTIRNWJJ-ZDUSSCGKSA-N -1 0 329.437 3.546 20 0 EHADRM CCCc1cnc([N-]S(=O)(=O)c2ccc(SC)cc2)s1 ZINC000183197909 1132341652 /nfs/dbraw/zinc/34/16/52/1132341652.db2.gz DRXMYKHVTZDETH-UHFFFAOYSA-N -1 0 328.484 3.618 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2cc(O)ccc2Br)c1 ZINC001174496171 1132372416 /nfs/dbraw/zinc/37/24/16/1132372416.db2.gz FGUWDIXMUTUKHS-QPJJXVBHSA-N -1 0 334.169 3.996 20 0 EHADRM CN1c2cc(Nc3cccc(/C=C/C(=O)[O-])c3)ccc2C(C)(C)C1=O ZINC001174497367 1132372805 /nfs/dbraw/zinc/37/28/05/1132372805.db2.gz ONIBHQHBERUSCP-JXMROGBWSA-N -1 0 336.391 3.782 20 0 EHADRM CC(C)CCn1nccc1NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000746107122 1132374886 /nfs/dbraw/zinc/37/48/86/1132374886.db2.gz KRNJSNPUYVGYLN-UHFFFAOYSA-N -1 0 330.413 3.611 20 0 EHADRM COc1cc(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)ccc1O ZINC001174543570 1132389659 /nfs/dbraw/zinc/38/96/59/1132389659.db2.gz CBGKJUYQBLZKGO-UHFFFAOYSA-N -1 0 345.376 3.544 20 0 EHADRM COCCOc1ccc(Nc2cccc(/C=C/C(=O)[O-])c2)cc1F ZINC001174501121 1132390026 /nfs/dbraw/zinc/39/00/26/1132390026.db2.gz ZXEQBOIBWVDGLE-VMPITWQZSA-N -1 0 331.343 3.692 20 0 EHADRM O=S(=O)([O-])c1ccc(Cl)c(Nc2cccc(-c3cc[nH]n3)c2)c1 ZINC001174509555 1132393062 /nfs/dbraw/zinc/39/30/62/1132393062.db2.gz FMPJHVAFROOMDN-UHFFFAOYSA-N -1 0 349.799 3.720 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1nc(F)cc(C(F)(F)F)c1F ZINC001174670145 1132431625 /nfs/dbraw/zinc/43/16/25/1132431625.db2.gz HPCBEWWUQDFBAC-UHFFFAOYSA-N -1 0 348.227 3.829 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cnc(Br)c(C)c1 ZINC001174671082 1132432030 /nfs/dbraw/zinc/43/20/30/1132432030.db2.gz RITFGYAUYQPVTE-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1c(C)cnn1-c1ccccc1F ZINC001174675280 1132432603 /nfs/dbraw/zinc/43/26/03/1132432603.db2.gz VHHGTJKOZTWUQV-UHFFFAOYSA-N -1 0 341.342 3.770 20 0 EHADRM COc1ccc(-c2cc(Nc3ccc(C(=O)[O-])c(OC)c3)on2)cc1 ZINC001174680852 1132434774 /nfs/dbraw/zinc/43/47/74/1132434774.db2.gz FBESCSWDWIYVMF-UHFFFAOYSA-N -1 0 340.335 3.801 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cccc(O)c1Br ZINC001174679694 1132435131 /nfs/dbraw/zinc/43/51/31/1132435131.db2.gz FDFFOUXOXPHOAW-UHFFFAOYSA-N -1 0 338.157 3.605 20 0 EHADRM COc1ccc(F)c(Nc2ccc(C(=O)[O-])c(OC)c2)c1Cl ZINC001174685286 1132435913 /nfs/dbraw/zinc/43/59/13/1132435913.db2.gz PHZPMAWCQFLPLG-UHFFFAOYSA-N -1 0 325.723 3.938 20 0 EHADRM COC(=O)c1cc(OC)c(Nc2ccc(C(=O)[O-])s2)cc1Cl ZINC001174808048 1132479012 /nfs/dbraw/zinc/47/90/12/1132479012.db2.gz QPIDCLIZKBWHMA-UHFFFAOYSA-N -1 0 341.772 3.639 20 0 EHADRM Nc1ccc(F)c(Br)c1Nc1ccc(C(=O)[O-])s1 ZINC001174812306 1132480181 /nfs/dbraw/zinc/48/01/81/1132480181.db2.gz GEEWZELPFAQEKR-UHFFFAOYSA-N -1 0 331.166 3.674 20 0 EHADRM Cc1cc(Nc2ccc(CC(=O)[O-])cc2)n(-c2ccc(F)cc2)n1 ZINC001174949363 1132515057 /nfs/dbraw/zinc/51/50/57/1132515057.db2.gz KTKSZIOFHKPKTB-UHFFFAOYSA-N -1 0 325.343 3.691 20 0 EHADRM O=C([O-])Cc1ccc(Nc2ncc(Br)cc2Cl)cc1 ZINC001174949349 1132515082 /nfs/dbraw/zinc/51/50/82/1132515082.db2.gz KLMUENDFECGEHR-UHFFFAOYSA-N -1 0 341.592 3.868 20 0 EHADRM O=C([O-])Cc1ccc(Nc2nc(F)cc(C(F)(F)F)c2F)cc1 ZINC001174949811 1132515460 /nfs/dbraw/zinc/51/54/60/1132515460.db2.gz PSMDGRGRTDEXPR-UHFFFAOYSA-N -1 0 332.228 3.749 20 0 EHADRM Cc1cc(Nc2ccc(CC(=O)[O-])cc2)n(Cc2cccc(F)c2)n1 ZINC001174950131 1132516282 /nfs/dbraw/zinc/51/62/82/1132516282.db2.gz PGCOHWHUIJXYMC-UHFFFAOYSA-N -1 0 339.370 3.750 20 0 EHADRM O=C([O-])Cc1ccc(Nc2nc(Cl)ccc2Br)cc1 ZINC001174951689 1132516970 /nfs/dbraw/zinc/51/69/70/1132516970.db2.gz LVBAVKMHFKMPOZ-UHFFFAOYSA-N -1 0 341.592 3.868 20 0 EHADRM CC(=O)N1CC(C)(C)c2ccc(Nc3ccc(CC(=O)[O-])cc3)cc21 ZINC001174953927 1132517232 /nfs/dbraw/zinc/51/72/32/1132517232.db2.gz UKLXVMVBPOUBKW-UHFFFAOYSA-N -1 0 338.407 3.701 20 0 EHADRM CCOC(=O)c1cc(Cl)cc(Nc2ccc(CC(=O)[O-])cc2)c1 ZINC001174954681 1132517451 /nfs/dbraw/zinc/51/74/51/1132517451.db2.gz QIXJCRTVPVKGHP-UHFFFAOYSA-N -1 0 333.771 3.887 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1nc(Cl)cnc1Br ZINC001174981724 1132534132 /nfs/dbraw/zinc/53/41/32/1132534132.db2.gz ORKWXRSGQIWYKB-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM COC(=O)C1(c2ccc(Nc3cc(C(=O)[O-])ccc3C)cc2)CC1 ZINC001174983966 1132534913 /nfs/dbraw/zinc/53/49/13/1132534913.db2.gz GLELCRPNSDZTLO-UHFFFAOYSA-N -1 0 325.364 3.641 20 0 EHADRM COc1cccc(Cn2nccc2Nc2cc(C(=O)[O-])ccc2C)c1 ZINC001174983728 1132535111 /nfs/dbraw/zinc/53/51/11/1132535111.db2.gz RIDYKUFRUIACAH-UHFFFAOYSA-N -1 0 337.379 3.690 20 0 EHADRM COC(=O)Cc1ccc(Cl)c(Nc2cc(C(=O)[O-])ccc2C)c1 ZINC001174984017 1132535572 /nfs/dbraw/zinc/53/55/72/1132535572.db2.gz JFFHLUKZWNJQEC-UHFFFAOYSA-N -1 0 333.771 3.806 20 0 EHADRM Fc1ccc(F)c([N-]c2nc3cccc(C(F)(F)F)n3n2)c1F ZINC001175029084 1132542192 /nfs/dbraw/zinc/54/21/92/1132542192.db2.gz PVRXPAVOLPGDHI-UHFFFAOYSA-N -1 0 332.207 3.909 20 0 EHADRM CCCCCC[C@](C)(CC)C(=O)[N-]S(=O)(=O)c1ccsc1 ZINC000766452517 1132545788 /nfs/dbraw/zinc/54/57/88/1132545788.db2.gz DLRFELXIUMSIBI-HNNXBMFYSA-N -1 0 331.503 3.940 20 0 EHADRM Cc1ncc(Br)cc1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175154399 1132568725 /nfs/dbraw/zinc/56/87/25/1132568725.db2.gz LXEIYGFOEVRDCO-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM COC(=O)c1cc(Cl)sc1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175157813 1132570024 /nfs/dbraw/zinc/57/00/24/1132570024.db2.gz HIFGFKIWUMBBOU-UHFFFAOYSA-N -1 0 329.736 3.769 20 0 EHADRM O=C([O-])c1ccc(Nc2cnc3cc(C4CCC4)nn3c2)cc1F ZINC001175158709 1132570759 /nfs/dbraw/zinc/57/07/59/1132570759.db2.gz PQXXDWXEGNUGSN-UHFFFAOYSA-N -1 0 326.331 3.578 20 0 EHADRM O=C(c1ccccc1)N1CCC[C@H](Nc2cc(F)ccc2[S-])C1 ZINC001168898798 1132591892 /nfs/dbraw/zinc/59/18/92/1132591892.db2.gz LSSQBSUMPVJNJZ-HNNXBMFYSA-N -1 0 330.428 3.831 20 0 EHADRM O=C([O-])c1cc(Nc2nccnc2OCc2ccccc2)ccc1F ZINC001175216241 1132597636 /nfs/dbraw/zinc/59/76/36/1132597636.db2.gz YNIQASYJMIZBKZ-UHFFFAOYSA-N -1 0 339.326 3.637 20 0 EHADRM Cc1cc(Nc2ccc(F)c(C(=O)[O-])c2)ncc1Br ZINC001175215757 1132597912 /nfs/dbraw/zinc/59/79/12/1132597912.db2.gz SSAWQRVPANZPJI-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM COc1cc(Nc2ccc(F)c(C(=O)[O-])c2)ccc1-n1cnc(C)c1 ZINC001175221097 1132598654 /nfs/dbraw/zinc/59/86/54/1132598654.db2.gz GNQACTANUORPSX-UHFFFAOYSA-N -1 0 341.342 3.770 20 0 EHADRM Cc1c(Br)ccc(N)c1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175220459 1132599068 /nfs/dbraw/zinc/59/90/68/1132599068.db2.gz PHXWGGJGRGDVOI-UHFFFAOYSA-N -1 0 339.164 3.921 20 0 EHADRM CCOC(=O)c1nc(Cl)sc1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175220061 1132599201 /nfs/dbraw/zinc/59/92/01/1132599201.db2.gz KAVAHFCOYMTHAP-UHFFFAOYSA-N -1 0 344.751 3.554 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(=O)n(-c3ccccc3)[nH]2)cc1Cl ZINC001175316732 1132636246 /nfs/dbraw/zinc/63/62/46/1132636246.db2.gz ZDOJVYPMFTUFJX-UHFFFAOYSA-N -1 0 329.743 3.673 20 0 EHADRM O=C([O-])c1cccc(Nc2ccc(I)cc2)c1 ZINC001175330817 1132640902 /nfs/dbraw/zinc/64/09/02/1132640902.db2.gz CYHCIJBSRFPWRS-UHFFFAOYSA-N -1 0 339.132 3.733 20 0 EHADRM O=C(NC1([C@@H]2CCCCO2)CCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC001175415645 1132662129 /nfs/dbraw/zinc/66/21/29/1132662129.db2.gz JTMXDZQOPPWWFR-ZDUSSCGKSA-N -1 0 344.238 3.921 20 0 EHADRM S=c1[n-]c2ccc(Nc3ccc(-c4nn[nH]n4)cc3)cc2s1 ZINC001175430750 1132666882 /nfs/dbraw/zinc/66/68/82/1132666882.db2.gz WSCWROHVMQAOLL-UHFFFAOYSA-N -1 0 326.410 3.509 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2cccc3c[nH]nc32)c2ccccc21 ZINC001175639538 1132720634 /nfs/dbraw/zinc/72/06/34/1132720634.db2.gz NOQHAIQWSSEIHB-UHFFFAOYSA-N -1 0 339.376 3.706 20 0 EHADRM O=C([O-])c1cncc(Nc2c(Br)ncc3ccccc32)c1 ZINC001175838097 1132773056 /nfs/dbraw/zinc/77/30/56/1132773056.db2.gz LOMMEYXUELZTFF-UHFFFAOYSA-N -1 0 344.168 3.834 20 0 EHADRM O=C([O-])c1cncc(Nc2c(O)cc(C(F)(F)F)cc2Cl)c1 ZINC001175842826 1132773697 /nfs/dbraw/zinc/77/36/97/1132773697.db2.gz QWDTWSWFKKHFSV-UHFFFAOYSA-N -1 0 332.665 3.901 20 0 EHADRM O=C([O-])Cc1c[nH]c2cc(Cl)c(NCCc3cncs3)cc12 ZINC001169867940 1132885554 /nfs/dbraw/zinc/88/55/54/1132885554.db2.gz IPIPGMNFFTXCEZ-UHFFFAOYSA-N -1 0 335.816 3.560 20 0 EHADRM O=C([O-])Cn1cc(Nc2c(Cl)ccc3nc(Cl)ccc32)cn1 ZINC001176269379 1132899710 /nfs/dbraw/zinc/89/97/10/1132899710.db2.gz FJWMDBQXRVFOQK-UHFFFAOYSA-N -1 0 337.166 3.566 20 0 EHADRM Cc1cc(-c2ccc(Nc3cnn(CC(=O)[O-])c3)c(C)c2)ccc1N ZINC001176270629 1132900020 /nfs/dbraw/zinc/90/00/20/1132900020.db2.gz GJYHWKBEOCUJAG-UHFFFAOYSA-N -1 0 336.395 3.577 20 0 EHADRM O=C([O-])Cn1cc(Nc2ccc(OC3CCCCC3)c(F)c2)cn1 ZINC001176271679 1132900081 /nfs/dbraw/zinc/90/00/81/1132900081.db2.gz ZOULRYMZIYEBFE-UHFFFAOYSA-N -1 0 333.363 3.562 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)c(C)c1 ZINC000766896720 1132912560 /nfs/dbraw/zinc/91/25/60/1132912560.db2.gz RNWGADCRVKDNIC-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM CCc1ncc(Br)cc1Nc1csc(C(=O)[O-])c1 ZINC001176437599 1132928735 /nfs/dbraw/zinc/92/87/35/1132928735.db2.gz UXPASSRHWUTBEB-UHFFFAOYSA-N -1 0 327.203 3.910 20 0 EHADRM CCOC(=O)c1cnc2cccc(Nc3csc(C(=O)[O-])c3)c2c1 ZINC001176440256 1132929697 /nfs/dbraw/zinc/92/96/97/1132929697.db2.gz JVMFVDCAYIYVDI-UHFFFAOYSA-N -1 0 342.376 3.915 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)[C@@H]2SCCc3sccc32)cc1 ZINC000767088375 1132946793 /nfs/dbraw/zinc/94/67/93/1132946793.db2.gz JZAXOIFHEZXFRF-QQNRWZHASA-N -1 0 345.445 3.815 20 0 EHADRM C/C(=C\C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000767091398 1132947646 /nfs/dbraw/zinc/94/76/46/1132947646.db2.gz IYEBBEXKFVBJRR-ZFHDJKDPSA-N -1 0 325.339 3.966 20 0 EHADRM CCn1cc(CC(=O)Nc2ccc(F)c(C(=O)[O-])c2)c2ccccc21 ZINC000767094982 1132948799 /nfs/dbraw/zinc/94/87/99/1132948799.db2.gz BBEWUIFFGZPADE-UHFFFAOYSA-N -1 0 340.354 3.680 20 0 EHADRM COC(=O)c1c(C)csc1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176581326 1132959874 /nfs/dbraw/zinc/95/98/74/1132959874.db2.gz LFCIZASXIQJUGA-UHFFFAOYSA-N -1 0 331.393 3.703 20 0 EHADRM COC(=O)c1ccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cc1C ZINC001176587134 1132960680 /nfs/dbraw/zinc/96/06/80/1132960680.db2.gz SUCMWDVOHRXTMY-UHFFFAOYSA-N -1 0 325.364 3.641 20 0 EHADRM COC(=O)c1c(F)ccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1F ZINC001176587964 1132961914 /nfs/dbraw/zinc/96/19/14/1132961914.db2.gz DVWSOLSLNFJMFN-UHFFFAOYSA-N -1 0 347.317 3.611 20 0 EHADRM COC(=O)c1cc(C)cc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1 ZINC001176590450 1132962851 /nfs/dbraw/zinc/96/28/51/1132962851.db2.gz PPJDNZXKRCTAOW-UHFFFAOYSA-N -1 0 325.364 3.641 20 0 EHADRM O=C([O-])C=Cc1ccc(Nc2cc(-c3ccccn3)c[nH]c2=O)cc1 ZINC001176594542 1132963374 /nfs/dbraw/zinc/96/33/74/1132963374.db2.gz USVPGHUQDDVPNF-RMKNXTFCSA-N -1 0 333.347 3.691 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2cnc(-c3ccc(O)cc3)nc2)cc1 ZINC001176594045 1132963654 /nfs/dbraw/zinc/96/36/54/1132963654.db2.gz MPIVUMQJRIGMTA-XCVCLJGOSA-N -1 0 333.347 3.691 20 0 EHADRM Cc1cc(C)c(Nc2cc(O)cc(Cl)c2)c(S(=O)(=O)[O-])c1 ZINC001176624223 1132973017 /nfs/dbraw/zinc/97/30/17/1132973017.db2.gz BOFXUSBEUOOIPM-UHFFFAOYSA-N -1 0 327.789 3.653 20 0 EHADRM Cc1ccc(C(=O)NC2CC2)cc1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176597866 1132976329 /nfs/dbraw/zinc/97/63/29/1132976329.db2.gz XMDZJMODTVBQCN-VZUCSPMQSA-N -1 0 336.391 3.729 20 0 EHADRM CC(C)Oc1ncccc1Nc1cc(S(=O)(=O)[O-])ccc1Cl ZINC001176737932 1132989300 /nfs/dbraw/zinc/98/93/00/1132989300.db2.gz UFSVASVDPHLQHT-UHFFFAOYSA-N -1 0 342.804 3.513 20 0 EHADRM O=C([O-])c1ccc(Nc2ccn3c(Br)cnc3c2)cc1 ZINC001176710138 1132995337 /nfs/dbraw/zinc/99/53/37/1132995337.db2.gz GNTSRVVWPWEDEW-UHFFFAOYSA-N -1 0 332.157 3.539 20 0 EHADRM CCOC(=O)c1ccc2ccc(Nc3ccc(C(=O)[O-])cc3)cc2n1 ZINC001176713839 1132995999 /nfs/dbraw/zinc/99/59/99/1132995999.db2.gz SKXWRIVATRYTAP-UHFFFAOYSA-N -1 0 336.347 3.853 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)C1CCC(C)(C)CC1 ZINC000767547523 1133017306 /nfs/dbraw/zinc/01/73/06/1133017306.db2.gz BWKDWVYMLHFHPI-UHFFFAOYSA-N -1 0 343.876 3.670 20 0 EHADRM COC(=O)c1ccc(C(F)(F)F)c(-c2csc(C(=O)[O-])c2)c1 ZINC001206290922 1133020756 /nfs/dbraw/zinc/02/07/56/1133020756.db2.gz FLOSXBIKERNIEI-UHFFFAOYSA-N -1 0 330.283 3.919 20 0 EHADRM Cc1ccccc1-c1cccc(NC(=O)c2ccn(C)c2CC(=O)[O-])c1 ZINC001177367281 1133057511 /nfs/dbraw/zinc/05/75/11/1133057511.db2.gz IRXLOWHMPQQSCO-UHFFFAOYSA-N -1 0 348.402 3.880 20 0 EHADRM O=C([N-]S(=O)(=O)/C=C\c1ccccc1)c1cccc2ccsc21 ZINC000767955337 1133076886 /nfs/dbraw/zinc/07/68/86/1133076886.db2.gz UULVRQSRSZAKJC-BENRWUELSA-N -1 0 343.429 3.632 20 0 EHADRM O=C([N-]OCc1ccc(C(F)(F)F)cc1)[C@H](F)c1ccccc1 ZINC000769002343 1133219754 /nfs/dbraw/zinc/21/97/54/1133219754.db2.gz CLJRYOFDZCOLKC-CQSZACIVSA-N -1 0 327.277 3.964 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)[C@H]1C[C@@]12CCc1ccccc12 ZINC000769246183 1133250867 /nfs/dbraw/zinc/25/08/67/1133250867.db2.gz TZHZANRZYUBZBA-AUUYWEPGSA-N -1 0 336.416 3.959 20 0 EHADRM C[C@H](COc1ccccc1)C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000769302476 1133256757 /nfs/dbraw/zinc/25/67/57/1133256757.db2.gz PFSFBHMFZKZCRB-LLVKDONJSA-N -1 0 328.393 3.770 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cnn(C)c2C2CC2)cc1 ZINC000769868627 1133352491 /nfs/dbraw/zinc/35/24/91/1133352491.db2.gz MXJDGSBJRJXIPI-LBPRGKRZSA-N -1 0 333.457 3.612 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cnn(C)c2C2CC2)cc1 ZINC000769868620 1133352533 /nfs/dbraw/zinc/35/25/33/1133352533.db2.gz MXJDGSBJRJXIPI-GFCCVEGCSA-N -1 0 333.457 3.612 20 0 EHADRM CCc1nc(-c2ccccc2NC(=O)c2c([O-])cccc2Cl)n[nH]1 ZINC000770117187 1133389894 /nfs/dbraw/zinc/38/98/94/1133389894.db2.gz RGEJQTKUCQMOAE-UHFFFAOYSA-N -1 0 342.786 3.645 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(SC(F)F)nc2)cc1F ZINC000771133768 1133515874 /nfs/dbraw/zinc/51/58/74/1133515874.db2.gz CTEBEPVAOSPHJA-UHFFFAOYSA-N -1 0 348.371 3.645 20 0 EHADRM CCCC(=CC(=O)[N-]S(=O)(=O)c1cc(C)sc1C)CCC ZINC000771279517 1133535027 /nfs/dbraw/zinc/53/50/27/1133535027.db2.gz KIKRJWFRGIRJNS-UHFFFAOYSA-N -1 0 329.487 3.696 20 0 EHADRM Cc1[nH]nc(NC(=O)c2cccc(Cl)c2[O-])c1-c1ccccc1 ZINC001181969811 1133563005 /nfs/dbraw/zinc/56/30/05/1133563005.db2.gz VWNGLYLXJFGYIC-UHFFFAOYSA-N -1 0 327.771 3.996 20 0 EHADRM [O-]c1c(Cl)cccc1-c1nc(Cc2ccc3c[nH]nc3c2)no1 ZINC000771490610 1133564027 /nfs/dbraw/zinc/56/40/27/1133564027.db2.gz TYKYTIGAFHYFOG-UHFFFAOYSA-N -1 0 326.743 3.563 20 0 EHADRM CN(C)c1ccc(CCC(=O)Nc2cc(F)cc(Cl)c2[O-])cc1 ZINC000771510489 1133568321 /nfs/dbraw/zinc/56/83/21/1133568321.db2.gz KGPTYLGFNDGIKM-UHFFFAOYSA-N -1 0 336.794 3.822 20 0 EHADRM COc1cccc(NC(=O)c2cccc(Br)c2[O-])c1F ZINC000771519595 1133569775 /nfs/dbraw/zinc/56/97/75/1133569775.db2.gz PVUZHOHZXKOKRO-UHFFFAOYSA-N -1 0 340.148 3.555 20 0 EHADRM CC(C)COC(=O)Nc1cccc(NC(=O)c2c([O-])cccc2F)c1 ZINC000771946655 1133618416 /nfs/dbraw/zinc/61/84/16/1133618416.db2.gz GANDDKNHHLVART-UHFFFAOYSA-N -1 0 346.358 3.988 20 0 EHADRM O=C([N-]S(=O)(=O)C1CCC1)c1cc(-c2ccccc2)ccc1Cl ZINC000774291953 1133657335 /nfs/dbraw/zinc/65/73/35/1133657335.db2.gz GLJVZEOLRTZMCB-UHFFFAOYSA-N -1 0 349.839 3.619 20 0 EHADRM CCCCOc1ccc(C(=O)NCCOC2CCCCC2)c(O)c1 ZINC001182455624 1133674235 /nfs/dbraw/zinc/67/42/35/1133674235.db2.gz WXOSXRBRIVTXME-UHFFFAOYSA-N -1 0 335.444 3.650 20 0 EHADRM Cc1cc(F)ccc1CCNC(=O)c1cc(F)cc(Cl)c1[O-] ZINC001182931309 1133752872 /nfs/dbraw/zinc/75/28/72/1133752872.db2.gz NCJXKABFDHTQTD-UHFFFAOYSA-N -1 0 325.742 3.605 20 0 EHADRM CCN(C(=O)c1nn(-c2cccc(F)c2)cc1[O-])c1ccc(C)cc1 ZINC000785823245 1133756371 /nfs/dbraw/zinc/75/63/71/1133756371.db2.gz UIKGZGQLDVLMLV-UHFFFAOYSA-N -1 0 339.370 3.692 20 0 EHADRM CCOc1ccc(Cl)cc1CCNC(=O)c1ccc(F)cc1[O-] ZINC001183032042 1133759139 /nfs/dbraw/zinc/75/91/39/1133759139.db2.gz ZEDIIZRJHAXZRR-UHFFFAOYSA-N -1 0 337.778 3.556 20 0 EHADRM COC(=O)c1cc(C)c(C)c(NC(=O)Cc2ccc([S-])cc2)c1 ZINC001183186989 1133776893 /nfs/dbraw/zinc/77/68/93/1133776893.db2.gz IZPIGKGDVUBTBA-UHFFFAOYSA-N -1 0 329.421 3.560 20 0 EHADRM O=C(Cc1ccc([S-])cc1)Nc1cc(-c2ccc(F)cc2)no1 ZINC001183186208 1133776902 /nfs/dbraw/zinc/77/69/02/1133776902.db2.gz IIZRLIBGSGXFPA-UHFFFAOYSA-N -1 0 328.368 3.951 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]C(=O)CC[C@@H](C)c1ccccc1 ZINC000786656454 1133882071 /nfs/dbraw/zinc/88/20/71/1133882071.db2.gz UYIFDEKZHLAHFE-OAHLLOKOSA-N -1 0 345.464 3.638 20 0 EHADRM Cc1nc2c(cccc2CCNC(=O)c2cc(F)cc(Cl)c2[O-])o1 ZINC001184235686 1133913706 /nfs/dbraw/zinc/91/37/06/1133913706.db2.gz MTHGVLDAMBHUDE-UHFFFAOYSA-N -1 0 348.761 3.607 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2ccc(C(C)C)c(C)c2)cc1C(=O)[O-] ZINC001184695841 1133975852 /nfs/dbraw/zinc/97/58/52/1133975852.db2.gz JZETZWRZWUTDNB-UHFFFAOYSA-N -1 0 347.436 3.926 20 0 EHADRM CCc1cc(Cl)ccc1[N-]S(=O)(=O)c1cccnc1Cl ZINC001184875679 1134000815 /nfs/dbraw/zinc/00/08/15/1134000815.db2.gz ZBDZTIAWXYJAAA-UHFFFAOYSA-N -1 0 331.224 3.752 20 0 EHADRM CCNC(=O)Nc1ccc(C)c(NC(=O)c2cccc(Cl)c2[O-])c1 ZINC000787701906 1134031703 /nfs/dbraw/zinc/03/17/03/1134031703.db2.gz LFVXCZQMJGWJKP-UHFFFAOYSA-N -1 0 347.802 3.748 20 0 EHADRM C[C@@H]1C[C@@H]1c1ncc(C(=O)Nc2c(Cl)ccc([O-])c2Cl)cn1 ZINC001185141566 1134034892 /nfs/dbraw/zinc/03/48/92/1134034892.db2.gz MOBPCGIVZJWJAW-APPZFPTMSA-N -1 0 338.194 3.865 20 0 EHADRM O=S(=O)(Cc1cc(F)cc(F)c1)Nc1ccc(Cl)cc1[S-] ZINC001185134275 1134040696 /nfs/dbraw/zinc/04/06/96/1134040696.db2.gz RJEJPNLRZDDKSE-UHFFFAOYSA-N -1 0 349.811 3.849 20 0 EHADRM O=S(=O)([N-]c1cnc2c(c1)CCCC2)c1cc2ccccc2s1 ZINC001185429724 1134084676 /nfs/dbraw/zinc/08/46/76/1134084676.db2.gz QCAAHLMSSXTKEI-UHFFFAOYSA-N -1 0 344.461 3.976 20 0 EHADRM Cc1ccc(CNC(=O)C=C([O-])c2ccccc2Cl)c(F)c1F ZINC001185435396 1134086405 /nfs/dbraw/zinc/08/64/05/1134086405.db2.gz HYVNLCZXBKIDIN-UHFFFAOYSA-N -1 0 337.753 3.816 20 0 EHADRM COc1cccc(F)c1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185459858 1134090994 /nfs/dbraw/zinc/09/09/94/1134090994.db2.gz KKELLRXAKXYDRB-UHFFFAOYSA-N -1 0 337.397 3.850 20 0 EHADRM O=S(=O)([N-]c1cccc2c1OCC2)c1cc2ccccc2s1 ZINC001185460804 1134091757 /nfs/dbraw/zinc/09/17/57/1134091757.db2.gz WZYXPYUSRBPGPT-UHFFFAOYSA-N -1 0 331.418 3.637 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000788321734 1134113713 /nfs/dbraw/zinc/11/37/13/1134113713.db2.gz MCHWOEPSFKDZRH-LBPRGKRZSA-N -1 0 348.321 3.548 20 0 EHADRM CCOC(=O)Cc1ccc(Cl)c(NC(=O)c2cccc([S-])c2)c1 ZINC001186155841 1134176248 /nfs/dbraw/zinc/17/62/48/1134176248.db2.gz JAHWAOWLAKJOAB-UHFFFAOYSA-N -1 0 349.839 3.987 20 0 EHADRM O=S(=O)([N-]c1csc2ccccc12)c1ccc2nsnc2c1 ZINC001186226118 1134182559 /nfs/dbraw/zinc/18/25/59/1134182559.db2.gz MFZTXVZASXCUBN-UHFFFAOYSA-N -1 0 347.446 3.707 20 0 EHADRM O=S(=O)([N-]c1nsc2ncccc12)c1csc2ccccc12 ZINC001186455422 1134214859 /nfs/dbraw/zinc/21/48/59/1134214859.db2.gz UTHHXWJCPMWQEN-UHFFFAOYSA-N -1 0 347.446 3.707 20 0 EHADRM O=S(=O)([N-]c1ccco1)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC001186765367 1134254911 /nfs/dbraw/zinc/25/49/11/1134254911.db2.gz QTRVNGLDHKPXNM-UHFFFAOYSA-N -1 0 341.694 3.632 20 0 EHADRM O=C(Nc1ccc2[nH]nc(Cl)c2c1)c1cc(F)c(F)c([O-])c1F ZINC001186779289 1134256606 /nfs/dbraw/zinc/25/66/06/1134256606.db2.gz IMTIUDOMSDQWHZ-UHFFFAOYSA-N -1 0 341.676 3.592 20 0 EHADRM C[C@@H](CCC1CCCCC1)NS(=O)(=O)c1cc([O-])cc(F)c1 ZINC001186921372 1134274823 /nfs/dbraw/zinc/27/48/23/1134274823.db2.gz PBEQJUQGRUIASK-LBPRGKRZSA-N -1 0 329.437 3.559 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)n(C(C)C)n1 ZINC001187180944 1134306126 /nfs/dbraw/zinc/30/61/26/1134306126.db2.gz FANLDOUJADKKOP-UHFFFAOYSA-N -1 0 339.486 3.514 20 0 EHADRM CC(C)c1cccc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)n1 ZINC001187181301 1134306469 /nfs/dbraw/zinc/30/64/69/1134306469.db2.gz RRPIINLGCBTKCE-UHFFFAOYSA-N -1 0 336.482 3.946 20 0 EHADRM Cc1cc(=O)c(COC(=O)c2sc3ccccc3c2Cl)n[n-]1 ZINC000789776884 1134333062 /nfs/dbraw/zinc/33/30/62/1134333062.db2.gz LQGMMCANDMEHCB-UHFFFAOYSA-N -1 0 334.784 3.716 20 0 EHADRM Cc1oncc1S(=O)(=O)[N-]c1cc(C2CCCCC2)ccc1O ZINC001187383592 1134334328 /nfs/dbraw/zinc/33/43/28/1134334328.db2.gz ULJKLJJFDWSVTE-UHFFFAOYSA-N -1 0 336.413 3.537 20 0 EHADRM O=C([N-][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1)C(F)(F)F ZINC000789891739 1134345760 /nfs/dbraw/zinc/34/57/60/1134345760.db2.gz ZWLIABWCVPHPHY-SECBINFHSA-N -1 0 341.160 3.641 20 0 EHADRM CCc1ccccc1NC(=O)Nc1ncc(Br)cc1[O-] ZINC001187607097 1134354835 /nfs/dbraw/zinc/35/48/35/1134354835.db2.gz DTAISOJPFJHUBT-UHFFFAOYSA-N -1 0 336.189 3.756 20 0 EHADRM O=S(=O)([N-]c1cccc2ocnc21)c1ccccc1C(F)(F)F ZINC000790005869 1134357516 /nfs/dbraw/zinc/35/75/16/1134357516.db2.gz YMBXVUJVMDACRG-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM O=S(=O)([N-]c1cccc2ocnc21)c1ccc(C(F)(F)F)cc1 ZINC000790004706 1134357748 /nfs/dbraw/zinc/35/77/48/1134357748.db2.gz JPVUPXMMNAOIGI-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000790067711 1134367044 /nfs/dbraw/zinc/36/70/44/1134367044.db2.gz KGRJLLWWXLHPSN-UHFFFAOYSA-N -1 0 345.754 3.622 20 0 EHADRM Cn1cc(-c2cc(CNc3ccc4oc(=S)[n-]c4c3)ccn2)cn1 ZINC001170127854 1134367957 /nfs/dbraw/zinc/36/79/57/1134367957.db2.gz GHMGXBQSBADIOT-UHFFFAOYSA-N -1 0 337.408 3.524 20 0 EHADRM C[C@@H]1CC(C)(C)CC[C@@H]1[N-]S(=O)(=O)c1onc(C2CC2)c1Cl ZINC001187761073 1134381306 /nfs/dbraw/zinc/38/13/06/1134381306.db2.gz QFQMKPFDCPYZSU-KOLCDFICSA-N -1 0 346.880 3.699 20 0 EHADRM O=S(=O)([N-]c1ccc(C2(C(F)(F)F)CC2)cc1)c1nccs1 ZINC001187847698 1134389745 /nfs/dbraw/zinc/38/97/45/1134389745.db2.gz NJPDNYWEGMJFIF-UHFFFAOYSA-N -1 0 348.371 3.538 20 0 EHADRM CC(C)(C)c1ccc([N-]S(=O)(=O)c2nccs2)c(Cl)c1 ZINC001187895346 1134393889 /nfs/dbraw/zinc/39/38/89/1134393889.db2.gz ZLRJKQOAZDDVJF-UHFFFAOYSA-N -1 0 330.862 3.895 20 0 EHADRM CC(C)c1cncc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c1 ZINC001188047721 1134414246 /nfs/dbraw/zinc/41/42/46/1134414246.db2.gz JCVOFJUTZLDKDZ-UHFFFAOYSA-N -1 0 346.239 3.708 20 0 EHADRM O=S(=O)([N-]c1ccsc1)c1cnc(Cl)c(C(F)(F)F)c1 ZINC001188211695 1134442801 /nfs/dbraw/zinc/44/28/01/1134442801.db2.gz URLAEFWHMBBGQE-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM Cc1cc(C2CC2)nc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)n1 ZINC000790641735 1134449836 /nfs/dbraw/zinc/44/98/36/1134449836.db2.gz BEFXWQFJXABOAI-CMDGGOBGSA-N -1 0 349.843 3.728 20 0 EHADRM Cc1ncccc1[N-]S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1 ZINC001188419352 1134460133 /nfs/dbraw/zinc/46/01/33/1134460133.db2.gz CJZPECMBISUXOL-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM COc1ccc(NC(=O)Nc2ccc(F)c(F)c2[O-])cc1Cl ZINC001188476923 1134471113 /nfs/dbraw/zinc/47/11/13/1134471113.db2.gz LBQXLRYNXQCSOZ-UHFFFAOYSA-N -1 0 328.702 3.976 20 0 EHADRM Cc1cc2c(cn1)[C@H](NC(=O)c1ccc([O-])c(C(F)(F)F)c1)CC2 ZINC001188587886 1134485191 /nfs/dbraw/zinc/48/51/91/1134485191.db2.gz CHABPBVSQOXWCL-CQSZACIVSA-N -1 0 336.313 3.532 20 0 EHADRM O=C([N-]c1n[nH]c(-c2cc3ccccc3o2)n1)c1nc(Cl)cs1 ZINC000790958332 1134485699 /nfs/dbraw/zinc/48/56/99/1134485699.db2.gz APZRZCNMNONTSZ-UHFFFAOYSA-N -1 0 345.771 3.580 20 0 EHADRM CC(C)c1cccc(NC(=O)COC(=O)c2c(F)cc([O-])cc2F)c1 ZINC000746987544 1134516397 /nfs/dbraw/zinc/51/63/97/1134516397.db2.gz QFGZEWBSNRZKFL-UHFFFAOYSA-N -1 0 349.333 3.589 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2nccc3ccccc32)c1 ZINC001189563449 1134598235 /nfs/dbraw/zinc/59/82/35/1134598235.db2.gz MESMRJWNRMFMJO-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM CCSCCCNS(=O)(=O)c1sc2ccccc2c1Cl ZINC001189612953 1134606234 /nfs/dbraw/zinc/60/62/34/1134606234.db2.gz GPDVYIMOXSSDAN-UHFFFAOYSA-N -1 0 349.930 3.976 20 0 EHADRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000775297145 1134619853 /nfs/dbraw/zinc/61/98/53/1134619853.db2.gz NCSFLKQXTMEZKV-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1cc(C2CCCC2)no1 ZINC001189780415 1134626900 /nfs/dbraw/zinc/62/69/00/1134626900.db2.gz IRYIOJZPEJWFQZ-UHFFFAOYSA-N -1 0 342.367 3.552 20 0 EHADRM O=S(=O)([N-]c1cc2c(s1)CCCC2)c1cc(F)cc(F)c1F ZINC001190359500 1134687843 /nfs/dbraw/zinc/68/78/43/1134687843.db2.gz DJVMTVXLANEKPM-UHFFFAOYSA-N -1 0 347.383 3.845 20 0 EHADRM O=S(=O)([N-]c1cc(F)cc(Cl)c1)c1cc(F)cc(F)c1F ZINC001190388733 1134689535 /nfs/dbraw/zinc/68/95/35/1134689535.db2.gz WLOHHCKFWWDWOW-UHFFFAOYSA-N -1 0 339.697 3.697 20 0 EHADRM Cc1cc(C)c([N-]S(=O)(=O)c2cc(F)cc(F)c2F)cc1C ZINC001190389986 1134689546 /nfs/dbraw/zinc/68/95/46/1134689546.db2.gz CLPKCMIODZSMIA-UHFFFAOYSA-N -1 0 329.343 3.830 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ncc(C)nc2C)cc1 ZINC001190423884 1134698161 /nfs/dbraw/zinc/69/81/61/1134698161.db2.gz OXADUJSRXKMTJU-UHFFFAOYSA-N -1 0 333.457 3.582 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccn3ccnc23)cc1 ZINC001190423631 1134698467 /nfs/dbraw/zinc/69/84/67/1134698467.db2.gz LXAMJLZQPAQNRH-UHFFFAOYSA-N -1 0 343.452 3.823 20 0 EHADRM O=S(=O)([N-]c1nc2ccc(F)cc2o1)c1ccc(C2CC2)cc1 ZINC001190461679 1134704928 /nfs/dbraw/zinc/70/49/28/1134704928.db2.gz XUQNRXRCLXLTLN-UHFFFAOYSA-N -1 0 332.356 3.645 20 0 EHADRM O=S(=O)([N-]c1csc2cnccc12)c1ccc(C2CC2)cc1 ZINC001190469150 1134705645 /nfs/dbraw/zinc/70/56/45/1134705645.db2.gz GVIASUZUXUICOT-UHFFFAOYSA-N -1 0 330.434 3.975 20 0 EHADRM CCC[C@H](NC(=O)c1cccc(Cl)c1[O-])[C@@H](O)c1ccccc1 ZINC000792567118 1134707052 /nfs/dbraw/zinc/70/70/52/1134707052.db2.gz SNJVCWIWKKKLJV-HOTGVXAUSA-N -1 0 333.815 3.678 20 0 EHADRM Cn1nc(C(F)(F)F)c(C(=O)Nc2ccccc2[S-])c1Cl ZINC001190536556 1134715973 /nfs/dbraw/zinc/71/59/73/1134715973.db2.gz XQSBNFBDZBNTKA-UHFFFAOYSA-N -1 0 335.738 3.633 20 0 EHADRM O=S(=O)([N-]c1cc(-c2ccccc2)cc(Cl)n1)c1ccncc1 ZINC001190858971 1134760789 /nfs/dbraw/zinc/76/07/89/1134760789.db2.gz BUHYDGOKAWGPRT-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2ccnn2C2CCC2)cc1 ZINC001191232918 1134832956 /nfs/dbraw/zinc/83/29/56/1134832956.db2.gz LUZAAGGTTFHKLM-UHFFFAOYSA-N -1 0 333.457 3.752 20 0 EHADRM O=S(=O)(CC1CCCC1)[N-]c1cc(F)ccc1OC(F)(F)F ZINC001191526257 1134880501 /nfs/dbraw/zinc/88/05/01/1134880501.db2.gz CCKWALSQZQWRJK-UHFFFAOYSA-N -1 0 341.326 3.656 20 0 EHADRM O=S(=O)(N[C@@H](C1CCC1)C1CCCC1)c1cccc(Cl)c1[O-] ZINC001191719471 1134904254 /nfs/dbraw/zinc/90/42/54/1134904254.db2.gz HDHZPKSVETUIEX-OAHLLOKOSA-N -1 0 343.876 3.683 20 0 EHADRM C[C@H]1CCC[C@@H](CC(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)C1 ZINC000747111027 1134904542 /nfs/dbraw/zinc/90/45/42/1134904542.db2.gz QOHZSBUBJGQDCL-LSDHHAIUSA-N -1 0 347.480 3.636 20 0 EHADRM CCC(CC)C(=O)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000793351862 1134916902 /nfs/dbraw/zinc/91/69/02/1134916902.db2.gz JRDSIJQIZMEMMY-UHFFFAOYSA-N -1 0 338.256 3.543 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cccnc1C1CCC1 ZINC001191791422 1134923226 /nfs/dbraw/zinc/92/32/26/1134923226.db2.gz DGUFDPBLGFICCQ-UHFFFAOYSA-N -1 0 346.452 3.857 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(C)cc(C)c1O ZINC001191820841 1134929571 /nfs/dbraw/zinc/92/95/71/1134929571.db2.gz HQKBITUPXYVRPL-UHFFFAOYSA-N -1 0 335.425 3.517 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC2CCCC2)cc1Cl ZINC000747129780 1134948025 /nfs/dbraw/zinc/94/80/25/1134948025.db2.gz ZHIJJOTUJIPVIV-LBPRGKRZSA-N -1 0 343.876 3.670 20 0 EHADRM CC(C)(C)c1ccc(C(=O)Nc2cccnc2-n2cccn2)c(O)c1 ZINC001192313636 1134996814 /nfs/dbraw/zinc/99/68/14/1134996814.db2.gz FVKTYLSUSVEFLG-UHFFFAOYSA-N -1 0 336.395 3.523 20 0 EHADRM Cc1cc(NC(=O)Nc2nc(Br)ccc2O)ccc1F ZINC001192348966 1135003315 /nfs/dbraw/zinc/00/33/15/1135003315.db2.gz NWVOSYYWRKITPH-UHFFFAOYSA-N -1 0 340.152 3.641 20 0 EHADRM CSc1ncc(C(=O)Nc2ccccc2[S-])c(C(F)(F)F)n1 ZINC001192663570 1135047233 /nfs/dbraw/zinc/04/72/33/1135047233.db2.gz REOZEBCQIFUCID-UHFFFAOYSA-N -1 0 345.371 3.758 20 0 EHADRM Cc1cc(OC(F)F)ccc1NC(=O)c1c([O-])ccc(F)c1F ZINC001192764411 1135052047 /nfs/dbraw/zinc/05/20/47/1135052047.db2.gz IKONKAWERZUBNJ-UHFFFAOYSA-N -1 0 329.249 3.833 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cncc(C(C)(C)C)c2)c1 ZINC001192773876 1135052930 /nfs/dbraw/zinc/05/29/30/1135052930.db2.gz LGXVBYGIZSBCSM-UHFFFAOYSA-N -1 0 348.468 3.751 20 0 EHADRM O=C(Nc1cc(OC(F)(F)F)ccc1O)c1c([O-])ccc(F)c1F ZINC001192770414 1135053022 /nfs/dbraw/zinc/05/30/22/1135053022.db2.gz VFUOZTOXTJJTLC-UHFFFAOYSA-N -1 0 349.211 3.527 20 0 EHADRM N=C(NC(=O)c1c([O-])ccc(F)c1F)C12CC3CC(CC(C3)C1)C2 ZINC001192769462 1135053545 /nfs/dbraw/zinc/05/35/45/1135053545.db2.gz MCNIKDNBRZOGFY-UHFFFAOYSA-N -1 0 334.366 3.594 20 0 EHADRM C[C@H](NC(=O)c1c([O-])ccc(F)c1F)c1nc(-c2ccccc2)c[nH]1 ZINC001192788134 1135055032 /nfs/dbraw/zinc/05/50/32/1135055032.db2.gz ZVXAPHATFSVMRX-JTQLQIEISA-N -1 0 343.333 3.552 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(C(F)F)c2)c1 ZINC001192805450 1135057005 /nfs/dbraw/zinc/05/70/05/1135057005.db2.gz IMFAPMVNXVFCGP-UHFFFAOYSA-N -1 0 341.379 3.996 20 0 EHADRM O=C(Nc1cccc(C(F)(F)F)c1O)c1ccc(F)c(F)c1[O-] ZINC001192811662 1135058343 /nfs/dbraw/zinc/05/83/43/1135058343.db2.gz VKZXFQPHJSBHEY-UHFFFAOYSA-N -1 0 333.212 3.647 20 0 EHADRM O=C(c1cc(F)c([O-])cc1F)N1CCC[C@@H](Cc2ccccc2)C1 ZINC001192868230 1135062397 /nfs/dbraw/zinc/06/23/97/1135062397.db2.gz XBQWGEXMPOYQCF-AWEZNQCLSA-N -1 0 331.362 3.765 20 0 EHADRM CC(C)(C)c1ccc(O)c([N-]S(=O)(=O)c2cnccc2Cl)c1 ZINC001192893816 1135069591 /nfs/dbraw/zinc/06/95/91/1135069591.db2.gz IPFQUFFIPKRARB-UHFFFAOYSA-N -1 0 340.832 3.539 20 0 EHADRM CN(C(=O)c1cc(Cl)nc(Cl)c1[O-])[C@@H]1CCc2ccccc21 ZINC001193091600 1135105361 /nfs/dbraw/zinc/10/53/61/1135105361.db2.gz WWQZRZPIJZQECP-GFCCVEGCSA-N -1 0 337.206 3.854 20 0 EHADRM O=S(=O)(CC1CCC1)[N-]c1cc(Cl)ccc1C(F)(F)F ZINC001193513524 1135149374 /nfs/dbraw/zinc/14/93/74/1135149374.db2.gz CDEQSZXJOXGXQB-UHFFFAOYSA-N -1 0 327.755 3.901 20 0 EHADRM CC(C)(C)COc1c(F)cccc1[N-]S(=O)(=O)CC1CCC1 ZINC001193523566 1135152041 /nfs/dbraw/zinc/15/20/41/1135152041.db2.gz HSOHPRHHOLYUFH-UHFFFAOYSA-N -1 0 329.437 3.792 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCCN(c2ccccc2F)CC1 ZINC000804718972 1135177966 /nfs/dbraw/zinc/17/79/66/1135177966.db2.gz ACTUBCXSVOJBKB-UHFFFAOYSA-N -1 0 348.805 3.537 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnc(F)c(F)c2)c2ccccc12 ZINC001193834279 1135190711 /nfs/dbraw/zinc/19/07/11/1135190711.db2.gz MXYCKOWUJCNYPM-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM CCc1cccnc1[N-]S(=O)(=O)c1ccc(C)c2ccccc21 ZINC001193832999 1135190866 /nfs/dbraw/zinc/19/08/66/1135190866.db2.gz HSSQCWIXUTYUBI-UHFFFAOYSA-N -1 0 326.421 3.906 20 0 EHADRM COc1ccc(O)c([N-]S(=O)(=O)c2ccc(C)c3ccccc32)c1 ZINC001193857531 1135196690 /nfs/dbraw/zinc/19/66/90/1135196690.db2.gz MNCFPEXWAYVSAC-UHFFFAOYSA-N -1 0 343.404 3.663 20 0 EHADRM Cc1cc(O)cc(O)c1C(=O)Nc1ccc2[n-]c(=S)sc2c1 ZINC001193937388 1135200807 /nfs/dbraw/zinc/20/08/07/1135200807.db2.gz WPFOPSYTLFWHNZ-UHFFFAOYSA-N -1 0 332.406 3.557 20 0 EHADRM Nc1ccccc1S(=O)(=O)[N-]c1cc(-c2ccccc2)cs1 ZINC001193896465 1135201874 /nfs/dbraw/zinc/20/18/74/1135201874.db2.gz YYFCHLPSKJAUKB-UHFFFAOYSA-N -1 0 330.434 3.798 20 0 EHADRM O=C(Nc1nc(C2CCOCC2)cs1)c1cccc(Cl)c1[O-] ZINC000804819529 1135203098 /nfs/dbraw/zinc/20/30/98/1135203098.db2.gz YFIRVWQCVCLVNY-UHFFFAOYSA-N -1 0 338.816 3.648 20 0 EHADRM COCCCO[N-]C(=O)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000805041849 1135228489 /nfs/dbraw/zinc/22/84/89/1135228489.db2.gz FYXCIHGUSFJEBF-UHFFFAOYSA-N -1 0 325.836 3.626 20 0 EHADRM Cc1cc(S(=O)(=O)[O-])c(NC(=O)Oc2ccccc2)cc1Cl ZINC001194251912 1135251431 /nfs/dbraw/zinc/25/14/31/1135251431.db2.gz YCBBQBQNUHTYCQ-UHFFFAOYSA-N -1 0 341.772 3.506 20 0 EHADRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1ccc2ccncc2c1 ZINC001194268818 1135253390 /nfs/dbraw/zinc/25/33/90/1135253390.db2.gz DDSHMUNRYLYPSL-UHFFFAOYSA-N -1 0 344.374 3.687 20 0 EHADRM Cc1c(C)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)ccc1F ZINC001194301399 1135254832 /nfs/dbraw/zinc/25/48/32/1135254832.db2.gz GUPNQZYNYJGSOE-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM COc1ccnc([N-]S(=O)(=O)c2cccc3c(Cl)cccc32)c1 ZINC001194403308 1135264845 /nfs/dbraw/zinc/26/48/45/1135264845.db2.gz IOIKQIXLGLXTQM-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM O=S(=O)([N-]c1ccnc(F)c1)c1cccc2c(Cl)cccc21 ZINC001194411106 1135265616 /nfs/dbraw/zinc/26/56/16/1135265616.db2.gz JESARWRPCQCFFQ-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM CCn1cc([N-]S(=O)(=O)c2cccc3c(Cl)cccc32)cn1 ZINC001194411044 1135265647 /nfs/dbraw/zinc/26/56/47/1135265647.db2.gz IJHDAIIQHBZEJB-UHFFFAOYSA-N -1 0 335.816 3.510 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)s1)c1ncccc1C(F)(F)F ZINC001194537309 1135283243 /nfs/dbraw/zinc/28/32/43/1135283243.db2.gz RGZZVFWCWXSWKN-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1cc(-c2cccs2)no1 ZINC001194610064 1135286609 /nfs/dbraw/zinc/28/66/09/1135286609.db2.gz XZJXYYNVMZTTOD-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM CCCCCC[C@@H](C)NS(=O)(=O)c1ncccc1C(F)(F)F ZINC001194586884 1135288498 /nfs/dbraw/zinc/28/84/98/1135288498.db2.gz SXYHTGQLKDTYNE-LLVKDONJSA-N -1 0 338.395 3.738 20 0 EHADRM CC[C@@H](C)COC(=O)Nc1ccc(S(=O)(=O)[O-])c2ccccc12 ZINC001194803779 1135322332 /nfs/dbraw/zinc/32/23/32/1135322332.db2.gz FEPSJLNJQYDUCY-LLVKDONJSA-N -1 0 337.397 3.681 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C)cs2)c(C)c1C ZINC001194836804 1135329045 /nfs/dbraw/zinc/32/90/45/1135329045.db2.gz FXGDVXKKWXUQGS-UHFFFAOYSA-N -1 0 325.455 3.791 20 0 EHADRM CC[C@H](C)c1ccccc1[N-]S(=O)(=O)c1cccc2nccnc21 ZINC001194931862 1135343151 /nfs/dbraw/zinc/34/31/51/1135343151.db2.gz FVLFHVXOGUDOBZ-ZDUSSCGKSA-N -1 0 341.436 3.944 20 0 EHADRM CC(C)(C(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1)C1CC1 ZINC000805845543 1135344718 /nfs/dbraw/zinc/34/47/18/1135344718.db2.gz VHQUFJKDVJYDBN-UHFFFAOYSA-N -1 0 349.496 3.975 20 0 EHADRM CC(C)Cc1ccc([N-]S(=O)(=O)c2cccc3nccnc32)cc1 ZINC001194986285 1135350356 /nfs/dbraw/zinc/35/03/56/1135350356.db2.gz PZRJQMWNZFJDQE-UHFFFAOYSA-N -1 0 341.436 3.629 20 0 EHADRM CCOc1ncc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1F ZINC001195120487 1135372190 /nfs/dbraw/zinc/37/21/90/1135372190.db2.gz ORASPXOFHOZMDN-UHFFFAOYSA-N -1 0 338.404 3.544 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cnccc2OC(F)F)c1 ZINC001195120825 1135373343 /nfs/dbraw/zinc/37/33/43/1135373343.db2.gz PAYAMYFJUZCBBW-UHFFFAOYSA-N -1 0 342.367 3.607 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2nc3ccc(F)cc3o2)c1 ZINC001195107083 1135378365 /nfs/dbraw/zinc/37/83/65/1135378365.db2.gz CCOQZQUHMATZGO-UHFFFAOYSA-N -1 0 334.372 3.891 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc3cnncc32)c1 ZINC001195156314 1135382949 /nfs/dbraw/zinc/38/29/49/1135382949.db2.gz HYKPRFZCZGGGAO-UHFFFAOYSA-N -1 0 327.409 3.554 20 0 EHADRM CN(Cc1nc2ccccc2s1)C(=O)c1cccc(Cl)c1[O-] ZINC000775645669 1135389651 /nfs/dbraw/zinc/38/96/51/1135389651.db2.gz DKXICFATZJOHOK-UHFFFAOYSA-N -1 0 332.812 3.928 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc([C@H](C)O)cc1 ZINC001195308362 1135411101 /nfs/dbraw/zinc/41/11/01/1135411101.db2.gz LULDSYVYSFSBCT-NSHDSACASA-N -1 0 325.817 3.503 20 0 EHADRM CON(CC(C)(C)C)C(=O)N=c1[n-]nc(C=Cc2ccco2)s1 ZINC000806377666 1135431598 /nfs/dbraw/zinc/43/15/98/1135431598.db2.gz OKWXKNCFNYIQDG-FPLPWBNLSA-N -1 0 336.417 3.743 20 0 EHADRM O=C(Nc1ccc(-n2cccn2)c(F)c1)c1cccc(Cl)c1[O-] ZINC000775664639 1135439975 /nfs/dbraw/zinc/43/99/75/1135439975.db2.gz NXLYHWKOZHMWCO-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM Cc1csc(C(C)(C)NC(=O)c2ccc3oc(=S)[n-]c3c2)n1 ZINC000828005084 1135443148 /nfs/dbraw/zinc/44/31/48/1135443148.db2.gz NFQSTEPDUMVIJH-UHFFFAOYSA-N -1 0 333.438 3.547 20 0 EHADRM O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)c1cccc(Cl)c1[O-] ZINC000775671317 1135461308 /nfs/dbraw/zinc/46/13/08/1135461308.db2.gz BPDHKZHXBVGJDB-RDTXWAMCSA-N -1 0 345.826 3.943 20 0 EHADRM O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)c1cccc(Cl)c1[O-] ZINC000775698669 1135532466 /nfs/dbraw/zinc/53/24/66/1135532466.db2.gz VDFVPIJEZRMJNR-HZPDHXFCSA-N -1 0 331.799 3.696 20 0 EHADRM O=S(=O)([N-]c1ccc(F)c(C2CC2)c1)c1ccc(Cl)cn1 ZINC001196250802 1135536281 /nfs/dbraw/zinc/53/62/81/1135536281.db2.gz RIGUWGULKGINGH-UHFFFAOYSA-N -1 0 326.780 3.552 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)ccc1Cl)c1ccc(Cl)cn1 ZINC001196245834 1135540488 /nfs/dbraw/zinc/54/04/88/1135540488.db2.gz ULOUTTHFPKEYII-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc3cccc(F)c3nc2C)c(F)c1 ZINC001196353605 1135550366 /nfs/dbraw/zinc/55/03/66/1135550366.db2.gz DQJZEPYLVFVNTK-UHFFFAOYSA-N -1 0 348.374 3.931 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C)ccc3c2)c(F)c1 ZINC001196379842 1135552222 /nfs/dbraw/zinc/55/22/22/1135552222.db2.gz DQUKBFHVVLLHKR-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM Cc1cccc(NC(=O)c2cc(Cl)ncc2[O-])c1Br ZINC001196395934 1135554339 /nfs/dbraw/zinc/55/43/39/1135554339.db2.gz LPXPZDAYEOXLQT-UHFFFAOYSA-N -1 0 341.592 3.764 20 0 EHADRM O=C(Nc1ccc(Br)nc1)c1cc(Cl)c(F)cc1[O-] ZINC001196452752 1135568947 /nfs/dbraw/zinc/56/89/47/1135568947.db2.gz HTAHGZQQXPFURZ-UHFFFAOYSA-N -1 0 345.555 3.595 20 0 EHADRM O=C(Nc1cc(Cl)nnc1Cl)c1cc(Cl)c(F)cc1[O-] ZINC001196453970 1135569045 /nfs/dbraw/zinc/56/90/45/1135569045.db2.gz QRACJFSGTCBSGB-UHFFFAOYSA-N -1 0 336.537 3.534 20 0 EHADRM Cc1csc([N-]S(=O)(=O)c2cccc(Br)c2C)c1 ZINC001196520803 1135573211 /nfs/dbraw/zinc/57/32/11/1135573211.db2.gz FOEUQEXPMRMNBP-UHFFFAOYSA-N -1 0 346.271 3.928 20 0 EHADRM Cc1onc(-c2ccc(O)cc2)c1C(=O)Nc1ccccc1[S-] ZINC001196589474 1135587408 /nfs/dbraw/zinc/58/74/08/1135587408.db2.gz LHLQWDQIQFDRDR-UHFFFAOYSA-N -1 0 326.377 3.897 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC[C@@H](c2ccncc2)C1 ZINC000808134994 1135621304 /nfs/dbraw/zinc/62/13/04/1135621304.db2.gz PHGGZWBXMVNYKC-CQSZACIVSA-N -1 0 339.420 3.531 20 0 EHADRM CC(C)(C)c1csc(NC(=S)Nc2ccc(C(=O)[O-])cc2)n1 ZINC001197069497 1135646718 /nfs/dbraw/zinc/64/67/18/1135646718.db2.gz IKTATBJSPGRGSO-UHFFFAOYSA-N -1 0 335.454 3.948 20 0 EHADRM Cc1cc(C)c(CNC(=S)Nc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC001197129445 1135648140 /nfs/dbraw/zinc/64/81/40/1135648140.db2.gz ZIQQPFVWHPDHGE-UHFFFAOYSA-N -1 0 328.437 3.797 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N[C@@H]2CCc3c2cc(F)cc3F)cc1 ZINC001197129817 1135648182 /nfs/dbraw/zinc/64/81/82/1135648182.db2.gz IOLYIYLJSRSILJ-OAHLLOKOSA-N -1 0 348.374 3.637 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)CCO2 ZINC001197137906 1135648987 /nfs/dbraw/zinc/64/89/87/1135648987.db2.gz YDGZLWYTZZSDRN-HNNXBMFYSA-N -1 0 342.420 3.503 20 0 EHADRM CCN(Cc1ccc(C)cc1)C(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197105407 1135650301 /nfs/dbraw/zinc/65/03/01/1135650301.db2.gz QTWSXCKHAPIPMV-UHFFFAOYSA-N -1 0 328.437 3.912 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2c(F)cc(F)cc2F)cc1 ZINC001197108570 1135650758 /nfs/dbraw/zinc/65/07/58/1135650758.db2.gz SILDZTYIENLAER-UHFFFAOYSA-N -1 0 326.299 3.611 20 0 EHADRM COc1cc(NC(=S)Nc2ccc(C(=O)[O-])cc2)ccc1Cl ZINC001197112377 1135650845 /nfs/dbraw/zinc/65/08/45/1135650845.db2.gz CIXUSOVHVSEGLK-UHFFFAOYSA-N -1 0 336.800 3.856 20 0 EHADRM Cn1ccc2ccc(NC(=S)Nc3ccc(C(=O)[O-])cc3)cc21 ZINC001197115656 1135651515 /nfs/dbraw/zinc/65/15/15/1135651515.db2.gz LHVBGPAWRYSEDL-UHFFFAOYSA-N -1 0 325.393 3.685 20 0 EHADRM CCCc1ccc(CNC(=S)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001197126874 1135652805 /nfs/dbraw/zinc/65/28/05/1135652805.db2.gz FSJSUYDOVIDDFZ-UHFFFAOYSA-N -1 0 328.437 3.824 20 0 EHADRM CC[C@@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC001197128752 1135653576 /nfs/dbraw/zinc/65/35/76/1135653576.db2.gz OZTIHIAOEMJERP-OAHLLOKOSA-N -1 0 332.400 3.962 20 0 EHADRM C[C@@H](NC(=O)c1cccc(Cl)c1[O-])c1ccc(-n2cccn2)cc1 ZINC000775762771 1135657911 /nfs/dbraw/zinc/65/79/11/1135657911.db2.gz JWGAZVLQFQVGPB-GFCCVEGCSA-N -1 0 341.798 3.722 20 0 EHADRM CCc1nnc(-c2ccc(NC(=O)c3cccc(Cl)c3[O-])cc2)o1 ZINC000775765427 1135665153 /nfs/dbraw/zinc/66/51/53/1135665153.db2.gz OLSRZDPWFMVTPZ-UHFFFAOYSA-N -1 0 343.770 3.910 20 0 EHADRM O=S(=O)(Cc1c(F)cccc1F)Nc1c([S-])cccc1Cl ZINC001197608747 1135708042 /nfs/dbraw/zinc/70/80/42/1135708042.db2.gz OZNZYMAXZDUCLG-UHFFFAOYSA-N -1 0 349.811 3.849 20 0 EHADRM COc1cnc(C(=O)Nc2cc(Cl)c(C)c(Cl)c2[O-])c(F)c1 ZINC001197811499 1135739796 /nfs/dbraw/zinc/73/97/96/1135739796.db2.gz XHXHFKDSEGYSIM-UHFFFAOYSA-N -1 0 345.157 3.802 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2ccc(OC3CCCCC3)cc2)c1 ZINC001198005212 1135760618 /nfs/dbraw/zinc/76/06/18/1135760618.db2.gz CNHCXAOKKJHDEX-UHFFFAOYSA-N -1 0 346.452 3.902 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2F)c1 ZINC001198009220 1135761492 /nfs/dbraw/zinc/76/14/92/1135761492.db2.gz KCGMVQHEPOYFSO-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM CCCCCC(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccc(C)cc1 ZINC000809063798 1135770287 /nfs/dbraw/zinc/77/02/87/1135770287.db2.gz ZLRZYYJEHBFMQM-UHFFFAOYSA-N -1 0 325.474 3.548 20 0 EHADRM CC(C)c1cc(F)ccc1[N-]S(=O)(=O)c1cccc(Cl)n1 ZINC001198232989 1135789681 /nfs/dbraw/zinc/78/96/81/1135789681.db2.gz GQSXTEZOSDOJHE-UHFFFAOYSA-N -1 0 328.796 3.798 20 0 EHADRM Cc1cc(Cl)cc(C)c1[N-]S(=O)(=O)c1cccc(Cl)n1 ZINC001198233704 1135789920 /nfs/dbraw/zinc/78/99/20/1135789920.db2.gz RAPKKZSVSNRRJC-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM O=C([N-][C@H](C1CC1)C(F)(F)F)C(F)(F)c1cccc(Cl)c1 ZINC000809315616 1135818740 /nfs/dbraw/zinc/81/87/40/1135818740.db2.gz RKHDEJWISVXTGQ-SNVBAGLBSA-N -1 0 327.680 3.889 20 0 EHADRM CC[C@@H](C)c1ccccc1NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198730572 1135849445 /nfs/dbraw/zinc/84/94/45/1135849445.db2.gz PIGBRMOVTLYHIR-GFCCVEGCSA-N -1 0 333.409 3.699 20 0 EHADRM CCCCc1ccccc1NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198782226 1135852671 /nfs/dbraw/zinc/85/26/71/1135852671.db2.gz DTZCUOCVCCFJIP-UHFFFAOYSA-N -1 0 333.409 3.528 20 0 EHADRM O=S(=O)([N-]c1cnc2ccsc2c1)c1ccc2occc2c1 ZINC001198825484 1135857374 /nfs/dbraw/zinc/85/73/74/1135857374.db2.gz DUFPMBQVTZOFLK-UHFFFAOYSA-N -1 0 330.390 3.843 20 0 EHADRM Cc1cnn(CC2CCC2)c1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198829182 1135857446 /nfs/dbraw/zinc/85/74/46/1135857446.db2.gz QETKDQQJQXHKPD-UHFFFAOYSA-N -1 0 345.424 3.539 20 0 EHADRM Cc1cc(C(F)(F)F)[nH]c(=O)c1C(=O)Nc1cc(O)cc(Cl)c1 ZINC001199783452 1135929525 /nfs/dbraw/zinc/92/95/25/1135929525.db2.gz CCDXVZUHXQGAGZ-UHFFFAOYSA-N -1 0 346.692 3.726 20 0 EHADRM CCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1 ZINC000776089861 1135951787 /nfs/dbraw/zinc/95/17/87/1135951787.db2.gz FZCWKOVGUYNLLU-GJZGRUSLSA-N -1 0 325.474 3.800 20 0 EHADRM CC1(C)OC[C@@H](CCOC(=O)c2cc3cc(Cl)sc3[nH]2)O1 ZINC000810637104 1135987661 /nfs/dbraw/zinc/98/76/61/1135987661.db2.gz GJERODSYFKCMOD-SECBINFHSA-N -1 0 329.805 3.581 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)C2(F)CCCCC2)s1 ZINC000810639849 1135988139 /nfs/dbraw/zinc/98/81/39/1135988139.db2.gz XJVOVNDODLPAOG-UHFFFAOYSA-N -1 0 347.477 3.523 20 0 EHADRM Cc1ccccc1Oc1cccc(S(=O)(=O)[N-]c2cccnc2)c1 ZINC001201570539 1136041913 /nfs/dbraw/zinc/04/19/13/1136041913.db2.gz BCXGTONUUBNQNA-UHFFFAOYSA-N -1 0 340.404 3.983 20 0 EHADRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1ccc(C2CCC2)nc1 ZINC001201736583 1136063026 /nfs/dbraw/zinc/06/30/26/1136063026.db2.gz ZLPKYABSRQQMIV-UHFFFAOYSA-N -1 0 343.861 3.568 20 0 EHADRM Cc1cc(C)c(NC(=O)Nc2ccccc2C)c(S(=O)(=O)[O-])c1 ZINC001202184870 1136107140 /nfs/dbraw/zinc/10/71/40/1136107140.db2.gz JCVLHHJUXVONEJ-UHFFFAOYSA-N -1 0 334.397 3.503 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)c1 ZINC000811816999 1136144906 /nfs/dbraw/zinc/14/49/06/1136144906.db2.gz HHDJQSYADNVEMT-KCXRBIIJSA-N -1 0 333.815 3.689 20 0 EHADRM O=C(Cc1csc(-c2ccccc2Cl)n1)[N-]OC/C=C\Cl ZINC000812401764 1136201790 /nfs/dbraw/zinc/20/17/90/1136201790.db2.gz CYMNNCBRNKNQNY-UTCJRWHESA-N -1 0 343.235 3.806 20 0 EHADRM C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)[N-]OC1CCC1 ZINC000812789678 1136247450 /nfs/dbraw/zinc/24/74/50/1136247450.db2.gz KMVSHCNIGCDWKC-OAHLLOKOSA-N -1 0 325.408 3.645 20 0 EHADRM CC(C)(C)c1csc([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)n1 ZINC000747856495 1136336088 /nfs/dbraw/zinc/33/60/88/1136336088.db2.gz HZBAYRXBGNTQKC-HJWRWDBZSA-N -1 0 340.445 3.992 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@@H](O)c1ccc(Cl)cc1 ZINC000813612447 1136351265 /nfs/dbraw/zinc/35/12/65/1136351265.db2.gz XUKGAUJOZNKYLJ-ZDUSSCGKSA-N -1 0 330.142 3.510 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H](C)c1cccc(C)c1 ZINC000814016601 1136386721 /nfs/dbraw/zinc/38/67/21/1136386721.db2.gz NPVXXPFIYAAUQQ-MAUKXSAKSA-N -1 0 345.464 3.696 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CC1CCCCCC1 ZINC000814016414 1136386732 /nfs/dbraw/zinc/38/67/32/1136386732.db2.gz MICSTHUWTLPQML-KRWDZBQOSA-N -1 0 337.485 3.944 20 0 EHADRM CC1(C)C[C@H](NC(=O)c2ccc(/C=C/C(=O)[O-])o2)c2ccccc21 ZINC000851608055 1136396035 /nfs/dbraw/zinc/39/60/35/1136396035.db2.gz YLBMBVDZKOSECV-HQPKTYMTSA-N -1 0 325.364 3.530 20 0 EHADRM Cc1ccc2c(c1)scc2C(=O)N1CC2(CCC2)[C@@](F)(C(=O)[O-])C1 ZINC000851614106 1136396338 /nfs/dbraw/zinc/39/63/38/1136396338.db2.gz KQQIACGETVLANR-SFHVURJKSA-N -1 0 347.411 3.629 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1cccc(SC(F)(F)F)c1 ZINC000851625917 1136396766 /nfs/dbraw/zinc/39/67/66/1136396766.db2.gz YKFYWFSWVVMKSW-SMDDNHRTSA-N -1 0 347.358 3.672 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(c2ccc(C(F)(F)F)c(Cl)n2)C1 ZINC000852909957 1136493189 /nfs/dbraw/zinc/49/31/89/1136493189.db2.gz HZUZUKUKBBNTKE-VIFPVBQESA-N -1 0 336.741 3.835 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2cccnc2Oc2ccccc2)CC1 ZINC000852950167 1136493769 /nfs/dbraw/zinc/49/37/69/1136493769.db2.gz DSJJLFRPBTWUIF-UHFFFAOYSA-N -1 0 340.379 3.703 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1ccc(SC(F)(F)F)cc1)C1CCC1 ZINC000852961405 1136494414 /nfs/dbraw/zinc/49/44/14/1136494414.db2.gz MVBJEIHPYHYNND-LBPRGKRZSA-N -1 0 347.358 3.529 20 0 EHADRM CC(C)Oc1ccc(CO[N-]C(=O)C(C)(C)c2ccccc2)cc1 ZINC000111189952 1136520233 /nfs/dbraw/zinc/52/02/33/1136520233.db2.gz XVGKABRPZJBZBZ-UHFFFAOYSA-N -1 0 327.424 3.999 20 0 EHADRM Cc1cc(C=CC(=O)Nc2c(C)[nH][nH]c2=O)c(C)n1C1CCCCC1 ZINC000854635741 1136632910 /nfs/dbraw/zinc/63/29/10/1136632910.db2.gz WSNIKVLTHBGZBS-KTKRTIGZSA-N -1 0 342.443 3.999 20 0 EHADRM CC(C)(C)CS(=O)(=O)[N-]C(=O)c1sc2ccccc2c1Cl ZINC000112762523 1136651772 /nfs/dbraw/zinc/65/17/72/1136651772.db2.gz JQHINVPJFMRIEV-UHFFFAOYSA-N -1 0 345.873 3.660 20 0 EHADRM CC[C@@H](CNC(=O)c1ccc2oc(=S)[n-]c2c1)CC(F)(F)F ZINC000854937870 1136655371 /nfs/dbraw/zinc/65/53/71/1136655371.db2.gz VHBHJSIPAYMLHP-MRVPVSSYSA-N -1 0 332.347 3.825 20 0 EHADRM O=C(NO[C@@H]1CCCCO1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000748042381 1136667698 /nfs/dbraw/zinc/66/76/98/1136667698.db2.gz RAKJVENUVOKNLP-MRXNPFEDSA-N -1 0 347.798 3.901 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccoc1C1CC1 ZINC000816108188 1136677165 /nfs/dbraw/zinc/67/71/65/1136677165.db2.gz ALPIUHMQBYRMGP-QGZVFWFLSA-N -1 0 347.436 3.614 20 0 EHADRM Cc1cccc(C(=O)[N-]S(=O)(=O)[C@@H](c2ccccc2)C(C)C)c1F ZINC000816110984 1136677586 /nfs/dbraw/zinc/67/75/86/1136677586.db2.gz MWZSVQKTCQAZQW-QGZVFWFLSA-N -1 0 349.427 3.591 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CC1CCCCC1 ZINC000816109200 1136677741 /nfs/dbraw/zinc/67/77/41/1136677741.db2.gz XHPWKFDACZZFDK-SFHVURJKSA-N -1 0 337.485 3.800 20 0 EHADRM CC(C)C[C@@H](C)C(=O)[N-]S(=O)(=O)[C@H](c1ccccc1)C(C)C ZINC000816112077 1136677744 /nfs/dbraw/zinc/67/77/44/1136677744.db2.gz MEOQZIYKMPPXQJ-ZBFHGGJFSA-N -1 0 325.474 3.512 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)/C=C/c1cccs1 ZINC000816113563 1136677954 /nfs/dbraw/zinc/67/79/54/1136677954.db2.gz WDYVRJXHGSCZKT-SXSDINLZSA-N -1 0 349.477 3.605 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)c2cccc(-c3nc(=O)o[n-]3)c2)cc1 ZINC001135566029 1136714456 /nfs/dbraw/zinc/71/44/56/1136714456.db2.gz NUQROOBSZVUNBC-UHFFFAOYSA-N -1 0 337.379 3.580 20 0 EHADRM O=C(NOc1ccccc1)c1cc(Cl)cc(Br)c1[O-] ZINC000816684253 1136748474 /nfs/dbraw/zinc/74/84/74/1136748474.db2.gz TVSHEQBYYKYNQJ-UHFFFAOYSA-N -1 0 342.576 3.532 20 0 EHADRM O=C(Nc1cccc2ccccc21)c1ncc(Br)cc1[O-] ZINC001135674860 1136749233 /nfs/dbraw/zinc/74/92/33/1136749233.db2.gz OIVJQCLFULQXLP-UHFFFAOYSA-N -1 0 343.180 3.955 20 0 EHADRM O=C(Nc1nc2ccccc2s1)c1ccc2oc(=S)[n-]c2c1 ZINC000816831893 1136755929 /nfs/dbraw/zinc/75/59/29/1136755929.db2.gz IZCHULKJWFMMCH-UHFFFAOYSA-N -1 0 327.390 3.979 20 0 EHADRM CN(Cc1ccc(F)c(F)c1)C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000816845856 1136760911 /nfs/dbraw/zinc/76/09/11/1136760911.db2.gz FVQXVSRBPDULTE-UHFFFAOYSA-N -1 0 334.347 3.667 20 0 EHADRM Cc1nc(Br)sc1C(=O)Nc1cccc(Cl)c1[O-] ZINC000816923596 1136763966 /nfs/dbraw/zinc/76/39/66/1136763966.db2.gz MLQMDAQDEXRSMW-UHFFFAOYSA-N -1 0 347.621 3.825 20 0 EHADRM Cn1nc(C2CCCC2)cc1NC(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000816967597 1136768321 /nfs/dbraw/zinc/76/83/21/1136768321.db2.gz OTZQKQGZUFAUAT-UHFFFAOYSA-N -1 0 342.424 3.760 20 0 EHADRM CC[C@H](C)CO[N-]C(=O)C(CC)(CC)c1ccc(OC)c(OC)c1 ZINC000816976233 1136769315 /nfs/dbraw/zinc/76/93/15/1136769315.db2.gz ZFGJLTUYEYPEJW-AWEZNQCLSA-N -1 0 337.460 3.856 20 0 EHADRM CC[C@H](C)CO[N-]C(=O)C1(c2ccccc2Br)CC1 ZINC000816981078 1136769829 /nfs/dbraw/zinc/76/98/29/1136769829.db2.gz ZRBMXBINTMRHLI-NSHDSACASA-N -1 0 326.234 3.575 20 0 EHADRM CCCCC[C@@H]1CCCCN1C(=O)CSc1n[n-]c(=S)s1 ZINC000856270631 1136771108 /nfs/dbraw/zinc/77/11/08/1136771108.db2.gz QTSPMFSLXAULGS-LLVKDONJSA-N -1 0 345.559 3.880 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000114616994 1136813693 /nfs/dbraw/zinc/81/36/93/1136813693.db2.gz IFYQXFSSLPXZCQ-CYBMUJFWSA-N -1 0 329.487 3.550 20 0 EHADRM CC1(C)[C@@H](c2ccccc2)CCN1C(=O)c1n[n-]c2ccccc2c1=O ZINC000817701993 1136831591 /nfs/dbraw/zinc/83/15/91/1136831591.db2.gz GSZOLEAVWVKRQO-MRXNPFEDSA-N -1 0 347.418 3.744 20 0 EHADRM O=C(COc1cc(Cl)c(Cl)cc1Cl)[N-]OCCC1CC1 ZINC000857512364 1136879251 /nfs/dbraw/zinc/87/92/51/1136879251.db2.gz MOKURSXCWTWWMF-UHFFFAOYSA-N -1 0 338.618 3.874 20 0 EHADRM CCC(=O)Nc1ccc(C)c(NC(=O)c2cc(F)cc(F)c2[O-])c1 ZINC001136264563 1136961490 /nfs/dbraw/zinc/96/14/90/1136961490.db2.gz WNVZJYSEGAMKKD-UHFFFAOYSA-N -1 0 334.322 3.580 20 0 EHADRM C[C@]12CCN(C(=O)c3cc(Cl)cc(Cl)c3[O-])C[C@H]1C2(F)F ZINC000820199092 1136983050 /nfs/dbraw/zinc/98/30/50/1136983050.db2.gz ZVLBODVBAVCJFI-MFKMUULPSA-N -1 0 336.165 3.816 20 0 EHADRM COc1ccccc1C(C)=CC(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000820465166 1136993927 /nfs/dbraw/zinc/99/39/27/1136993927.db2.gz GVOMABZRJBWPAK-SEYXRHQNSA-N -1 0 349.390 3.833 20 0 EHADRM CC[C@@H]1C[C@H](C)CN1C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000820478131 1136994430 /nfs/dbraw/zinc/99/44/30/1136994430.db2.gz AMIYSLDUYJNAQS-GXTWGEPZSA-N -1 0 327.380 3.725 20 0 EHADRM Cc1cnc(C(=O)Nc2cccc(COc3ccccc3)c2)c([O-])c1 ZINC001136349664 1136996383 /nfs/dbraw/zinc/99/63/83/1136996383.db2.gz GOJMIGXJWVZBKE-UHFFFAOYSA-N -1 0 334.375 3.927 20 0 EHADRM CCOc1ccccc1CNC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC001136355562 1136999622 /nfs/dbraw/zinc/99/96/22/1136999622.db2.gz AEDNDIIOMJQCBF-UHFFFAOYSA-N -1 0 339.313 3.740 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)n2)c1 ZINC000116601140 1137007920 /nfs/dbraw/zinc/00/79/20/1137007920.db2.gz TVOCODJBYUDETF-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)NC2(c3ccccc3)CC2)n1 ZINC001136547103 1137051121 /nfs/dbraw/zinc/05/11/21/1137051121.db2.gz JVEMGJHJVCOJTI-UHFFFAOYSA-N -1 0 347.418 3.559 20 0 EHADRM O=C([N-]OCc1ccccn1)[C@H](OCC1CCCC1)c1ccccc1 ZINC000822243248 1137052777 /nfs/dbraw/zinc/05/27/77/1137052777.db2.gz OQJDYHWKQFWXLE-LJQANCHMSA-N -1 0 340.423 3.578 20 0 EHADRM Cc1cc(C=O)c([O-])c(C(=O)Nc2cccc(Br)c2C)c1 ZINC001136556113 1137053196 /nfs/dbraw/zinc/05/31/96/1137053196.db2.gz QLILGNHTMOMEIB-UHFFFAOYSA-N -1 0 348.196 3.836 20 0 EHADRM CN(C(=O)CC1CC(c2ccccc2)C1)[C@H](C(=O)[O-])c1ccccc1 ZINC000823328493 1137095364 /nfs/dbraw/zinc/09/53/64/1137095364.db2.gz CDZOOYCZNVXEMZ-UPQHMETBSA-N -1 0 337.419 3.855 20 0 EHADRM C[C@H](NC(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)[C@H](C)C(=O)[O-] ZINC000823333696 1137095455 /nfs/dbraw/zinc/09/54/55/1137095455.db2.gz KWKHGYFHLLPGIJ-SLUTZSSCSA-N -1 0 349.736 3.597 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001136750427 1137106495 /nfs/dbraw/zinc/10/64/95/1137106495.db2.gz VWHVUXZWJCTQTE-UHFFFAOYSA-N -1 0 347.758 3.621 20 0 EHADRM O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1cccc(Br)c1[O-] ZINC001136786264 1137116213 /nfs/dbraw/zinc/11/62/13/1137116213.db2.gz XEWGWCWQOGLBGX-IJLUTSLNSA-N -1 0 338.245 3.853 20 0 EHADRM C[C@@H]1CC(NC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])C[C@@H](C)C1 ZINC001136870515 1137135552 /nfs/dbraw/zinc/13/55/52/1137135552.db2.gz FGDDHUFHROOEFM-RYUDHWBXSA-N -1 0 347.846 3.786 20 0 EHADRM CC1CCN(c2ccc(NC(=O)c3ccc(C(=O)[O-])s3)cc2)CC1 ZINC000862350583 1137139623 /nfs/dbraw/zinc/13/96/23/1137139623.db2.gz BCKNEJQYGMUNCW-UHFFFAOYSA-N -1 0 344.436 3.935 20 0 EHADRM Cc1ccc(C(C)(C)CNC(=O)c2ccc3[n-]c(=S)oc3c2)nc1 ZINC000862780658 1137157042 /nfs/dbraw/zinc/15/70/42/1137157042.db2.gz BCGKXUPSKOGDMQ-UHFFFAOYSA-N -1 0 341.436 3.528 20 0 EHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCC(OC2CCCC2)CC1 ZINC000825033919 1137162865 /nfs/dbraw/zinc/16/28/65/1137162865.db2.gz ZRERKDFHBZOFCD-UHFFFAOYSA-N -1 0 346.452 3.680 20 0 EHADRM O=C(Nc1cc(Br)cc(Cl)c1[O-])C1(C(F)F)CC1 ZINC000843843390 1137184032 /nfs/dbraw/zinc/18/40/32/1137184032.db2.gz ZBKIECFCRRPIDJ-UHFFFAOYSA-N -1 0 340.551 3.792 20 0 EHADRM CC1(C)CCC[C@@H]1[C@@H]1CCN(C(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC000844035051 1137195244 /nfs/dbraw/zinc/19/52/44/1137195244.db2.gz VAKVFZAIOHDCGH-UKRRQHHQSA-N -1 0 339.439 3.624 20 0 EHADRM CC[C@H]1c2ccsc2CCN1C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000864104533 1137215224 /nfs/dbraw/zinc/21/52/24/1137215224.db2.gz NHSHRIGAAKHVQY-AGLBCWCQSA-N -1 0 331.393 3.589 20 0 EHADRM CC[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000864104535 1137215225 /nfs/dbraw/zinc/21/52/25/1137215225.db2.gz NHSHRIGAAKHVQY-DIECRNLCSA-N -1 0 331.393 3.589 20 0 EHADRM CC(C)Oc1ccc([C@@H](C)NC(=O)/C=C/c2cc(C(=O)[O-])co2)cc1 ZINC000864106519 1137215307 /nfs/dbraw/zinc/21/53/07/1137215307.db2.gz LZMYRTKRFBYSAF-MMQHEFTJSA-N -1 0 343.379 3.656 20 0 EHADRM O=C([O-])c1coc(/C=C\C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000864109453 1137215549 /nfs/dbraw/zinc/21/55/49/1137215549.db2.gz SXQAFVKJGGBITA-GIFJBRJJSA-N -1 0 343.354 3.788 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)cc1C(=O)[O-] ZINC000864112998 1137215754 /nfs/dbraw/zinc/21/57/54/1137215754.db2.gz IXCVHZUSBHXQEX-BLLLJJGKSA-N -1 0 327.380 3.900 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@H](C)C[C@H]2c2ccco2)cc1C(=O)[O-] ZINC000864112999 1137215764 /nfs/dbraw/zinc/21/57/64/1137215764.db2.gz IXCVHZUSBHXQEX-LRDDRELGSA-N -1 0 327.380 3.900 20 0 EHADRM CN(C(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000864116725 1137215930 /nfs/dbraw/zinc/21/59/30/1137215930.db2.gz IACQMODGRZKEPQ-KZNAEPCWSA-N -1 0 341.382 3.604 20 0 EHADRM CCCN(Cc1ccc(C)cc1)C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000864125291 1137216334 /nfs/dbraw/zinc/21/63/34/1137216334.db2.gz ROUDFULCUBLOJM-HJWRWDBZSA-N -1 0 327.380 3.738 20 0 EHADRM COc1ccc2cc(C(=O)N3CCCC[C@H]3CCC(=O)[O-])sc2c1 ZINC000864131818 1137216381 /nfs/dbraw/zinc/21/63/81/1137216381.db2.gz CCCZSXILOLEMFN-ZDUSSCGKSA-N -1 0 347.436 3.769 20 0 EHADRM Cc1ccc(C(=O)N2CCC(C)(c3ccccc3)CC2)cc1C(=O)[O-] ZINC000864134117 1137216735 /nfs/dbraw/zinc/21/67/35/1137216735.db2.gz NIQIVRYPNOKUOG-UHFFFAOYSA-N -1 0 337.419 3.887 20 0 EHADRM CC1(C)[C@@H](c2ccccc2)CCN1C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000864150328 1137217155 /nfs/dbraw/zinc/21/71/55/1137217155.db2.gz UKEBYWWZKRUTII-PXUDHTSWSA-N -1 0 339.391 3.786 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@](C)(c3cccc(F)c3)C2)cc1C(=O)[O-] ZINC000864150124 1137217177 /nfs/dbraw/zinc/21/71/77/1137217177.db2.gz BPZCGRGOIUWQAO-FQEVSTJZSA-N -1 0 341.382 3.636 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)/C=C/c1csc(C(F)(F)F)c1 ZINC000864155258 1137217326 /nfs/dbraw/zinc/21/73/26/1137217326.db2.gz KAQAVMZSGCWJPJ-HSUNOJPOSA-N -1 0 347.358 3.540 20 0 EHADRM Cc1cccc(C)c1[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000864152660 1137217353 /nfs/dbraw/zinc/21/73/53/1137217353.db2.gz MHYOEBRBJDXJPV-SOGBHIHOSA-N -1 0 339.391 3.972 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)NCCCCCCc2ccccc2)CC1 ZINC000864161415 1137217594 /nfs/dbraw/zinc/21/75/94/1137217594.db2.gz RKSTYNGLORWNAB-IYARVYRRSA-N -1 0 331.456 3.797 20 0 EHADRM Cc1cc2c(CC(=O)N3CCCCC[C@@H]3C(=O)[O-])csc2s1 ZINC000864159439 1137217618 /nfs/dbraw/zinc/21/76/18/1137217618.db2.gz ZQGKZQZAPJQHEM-CYBMUJFWSA-N -1 0 337.466 3.670 20 0 EHADRM C/C(=C\C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F)C(C)(C)C ZINC000864171640 1137217631 /nfs/dbraw/zinc/21/76/31/1137217631.db2.gz ZYTSIKSKIBMQKX-JXMROGBWSA-N -1 0 341.354 3.960 20 0 EHADRM O=C(/C=C\c1cc(C(=O)[O-])co1)Nc1cccc(C2CCOCC2)c1 ZINC000864173805 1137217926 /nfs/dbraw/zinc/21/79/26/1137217926.db2.gz PFYTVZGZGLWKTP-PLNGDYQASA-N -1 0 341.363 3.524 20 0 EHADRM CCc1ccc(N(CC(C)C)C(=O)c2cc(C(=O)[O-])ccn2)cc1 ZINC000864178032 1137217959 /nfs/dbraw/zinc/21/79/59/1137217959.db2.gz WRPHCSWWSOEAPL-UHFFFAOYSA-N -1 0 326.396 3.645 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)c1ccc2c(c1)Cc1ccccc1-2)C1CC1 ZINC000864203994 1137218773 /nfs/dbraw/zinc/21/87/73/1137218773.db2.gz OEMXNZJOBIBJQL-NRFANRHFSA-N -1 0 335.403 3.631 20 0 EHADRM Cc1ccc2cc(Cl)cc(C(=O)N[C@](C)(CC(=O)[O-])C3CC3)c2n1 ZINC000864200799 1137218844 /nfs/dbraw/zinc/21/88/44/1137218844.db2.gz GFWCJMOQGAJGMP-GOSISDBHSA-N -1 0 346.814 3.570 20 0 EHADRM CC(C)c1ccc(SCC(=O)N[C@](C)(CC(=O)[O-])C2CC2)cc1 ZINC000864198727 1137218875 /nfs/dbraw/zinc/21/88/75/1137218875.db2.gz LGOAUOIVOMGSAM-GOSISDBHSA-N -1 0 335.469 3.662 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)o1 ZINC000864218359 1137219103 /nfs/dbraw/zinc/21/91/03/1137219103.db2.gz UVSXLTQJVWYYLT-VURMDHGXSA-N -1 0 343.354 3.536 20 0 EHADRM CC1(C)[C@H](c2ccccc2F)CCN1C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000864217082 1137219181 /nfs/dbraw/zinc/21/91/81/1137219181.db2.gz MIPNVPQJTZQEOD-YCPHGPKFSA-N -1 0 347.430 3.811 20 0 EHADRM C[C@H]1CC[C@H](CCC(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)O1 ZINC000864225967 1137219432 /nfs/dbraw/zinc/21/94/32/1137219432.db2.gz UWNHMJDLGJXLQT-SWLSCSKDSA-N -1 0 327.380 3.824 20 0 EHADRM CC(C)(C)c1csc(CNc2ccc(OCCC(=O)[O-])cc2)n1 ZINC000864511903 1137231155 /nfs/dbraw/zinc/23/11/55/1137231155.db2.gz QQGDMWBGCGJLMI-UHFFFAOYSA-N -1 0 334.441 3.906 20 0 EHADRM C[C@H](c1ccccc1)[C@H](NCc1nc(C(C)(C)C)cs1)C(=O)[O-] ZINC000864516231 1137231352 /nfs/dbraw/zinc/23/13/52/1137231352.db2.gz KFCSENYHVWKIFW-WBMJQRKESA-N -1 0 332.469 3.787 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)N[C@H](C)c1cnc(C)s1)C(=O)[O-] ZINC000864542549 1137234013 /nfs/dbraw/zinc/23/40/13/1137234013.db2.gz OMFKMDRUWNEMKE-BDJLRTHQSA-N -1 0 341.477 3.625 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)Nc1ccc(F)c(C(F)F)c1)C1CC1 ZINC000864585331 1137235727 /nfs/dbraw/zinc/23/57/27/1137235727.db2.gz XOUSMEACJJGBKT-LBPRGKRZSA-N -1 0 330.306 3.623 20 0 EHADRM O=S(=O)([N-]c1ccnn1C1CCCC1)c1ccc(Cl)c(F)c1 ZINC000844652574 1137242454 /nfs/dbraw/zinc/24/24/54/1137242454.db2.gz KHHVRXZSOGJBRU-UHFFFAOYSA-N -1 0 343.811 3.592 20 0 EHADRM CCC(CC)(CC)C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000845892378 1137318775 /nfs/dbraw/zinc/31/87/75/1137318775.db2.gz HPLQMKAMFGTHNF-UHFFFAOYSA-N -1 0 331.865 3.502 20 0 EHADRM CC[C@@H](C)CO[N-]C(=O)Cc1csc(COc2ccc(C)cc2)n1 ZINC000794876877 1137320987 /nfs/dbraw/zinc/32/09/87/1137320987.db2.gz YPILIJHEOZOBFT-CYBMUJFWSA-N -1 0 348.468 3.667 20 0 EHADRM O=S(=O)([N-]c1cccnc1-c1ccccc1)c1ccc(F)cc1 ZINC000339074601 1137352666 /nfs/dbraw/zinc/35/26/66/1137352666.db2.gz GSDUHUNTALAFLV-UHFFFAOYSA-N -1 0 328.368 3.689 20 0 EHADRM CC(C)c1ccccc1OCCNC(=O)c1ccc(Cl)c([O-])c1 ZINC001147013569 1137398697 /nfs/dbraw/zinc/39/86/97/1137398697.db2.gz XRMFLYUCHRWAKU-UHFFFAOYSA-N -1 0 333.815 3.978 20 0 EHADRM Cc1cnn(-c2ccc(NC(=O)c3ccc(Cl)c([O-])c3)cc2F)c1 ZINC001147304218 1137404066 /nfs/dbraw/zinc/40/40/66/1137404066.db2.gz JVRBOLTUNXTORV-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM CC1(C)CCC[C@@](O)(CNC(=O)c2ccc3[n-]c(=S)oc3c2)CC1 ZINC001171304942 1137406931 /nfs/dbraw/zinc/40/69/31/1137406931.db2.gz DRIPASLDQYNVTQ-SFHVURJKSA-N -1 0 348.468 3.568 20 0 EHADRM O=C(Nc1n[nH]cc1-c1ccc(Cl)cc1)c1c([O-])cccc1F ZINC001148034373 1137417560 /nfs/dbraw/zinc/41/75/60/1137417560.db2.gz BCDZNWCQHYRPFX-UHFFFAOYSA-N -1 0 331.734 3.827 20 0 EHADRM CC(=O)c1cc(C(=O)Nc2c(Cl)ccc([O-])c2Cl)ccc1O ZINC001148665171 1137431418 /nfs/dbraw/zinc/43/14/18/1137431418.db2.gz YLRHUVUTDUCCKJ-UHFFFAOYSA-N -1 0 340.162 3.860 20 0 EHADRM O=C(Nc1n[nH]c2c1CCCC2)c1cc(Cl)cc(Cl)c1[O-] ZINC001148805487 1137435247 /nfs/dbraw/zinc/43/52/47/1137435247.db2.gz OHVUUYCMUPDLQA-UHFFFAOYSA-N -1 0 326.183 3.553 20 0 EHADRM O=C(N[C@@H]1CCCc2cccnc21)c1cc(Cl)cc(Cl)c1[O-] ZINC001148812689 1137435495 /nfs/dbraw/zinc/43/54/95/1137435495.db2.gz YKMPUQXMPAERAQ-CYBMUJFWSA-N -1 0 337.206 3.901 20 0 EHADRM CCc1oc(C(=O)NCCc2csc3ccccc23)cc1C(=O)[O-] ZINC000339088479 1137437120 /nfs/dbraw/zinc/43/71/20/1137437120.db2.gz QIWXLEBVVFUTIK-UHFFFAOYSA-N -1 0 343.404 3.727 20 0 EHADRM O=C([O-])CC[C@H](NCc1cocn1)c1ccc(Cl)c(Cl)c1 ZINC000871065108 1137520572 /nfs/dbraw/zinc/52/05/72/1137520572.db2.gz AROAAPNTGYINLY-ZDUSSCGKSA-N -1 0 329.183 3.677 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](CCF)C(=O)[O-])cc1-c1ccsc1 ZINC000871615683 1137549492 /nfs/dbraw/zinc/54/94/92/1137549492.db2.gz SNQOKXRYPPZGFO-AWEZNQCLSA-N -1 0 336.388 3.658 20 0 EHADRM O=c1c(F)c(C(F)(F)F)[n-]n1Cc1cccc(Cl)c1Cl ZINC000871958990 1137563684 /nfs/dbraw/zinc/56/36/84/1137563684.db2.gz JGKGLYVPZQSMFW-MRVPVSSYSA-N -1 0 329.080 3.592 20 0 EHADRM CC(C)c1c(Cl)ncnc1-n1[n-]c2c(c1=O)CCc1ccccc1-2 ZINC000871956808 1137563721 /nfs/dbraw/zinc/56/37/21/1137563721.db2.gz DYWSOIHZSFZHMP-ZDUSSCGKSA-N -1 0 340.814 3.567 20 0 EHADRM CCC(F)(F)c1ccccc1[N-]S(=O)(=O)c1ccccc1OC ZINC000872410960 1137579537 /nfs/dbraw/zinc/57/95/37/1137579537.db2.gz VAQNBFMHUBUABI-UHFFFAOYSA-N -1 0 341.379 3.998 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)Cc1csc(C2CCCC2)n1 ZINC000872712653 1137583006 /nfs/dbraw/zinc/58/30/06/1137583006.db2.gz WKCQJAAFQAGGTR-UHFFFAOYSA-N -1 0 344.436 3.609 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2noc3c2CC(C)(C)CC3)c1 ZINC000872730035 1137583290 /nfs/dbraw/zinc/58/32/90/1137583290.db2.gz FYTPOPPQBHZXCY-LLVKDONJSA-N -1 0 342.395 3.630 20 0 EHADRM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1cccc(SC(F)F)c1 ZINC000872844237 1137585471 /nfs/dbraw/zinc/58/54/71/1137585471.db2.gz RTVZHVZAJYALEP-NEPJUHHUSA-N -1 0 329.368 3.831 20 0 EHADRM CC(C)c1ccc([C@@](C)(CC(=O)[O-])C(=O)N[C@@H](C)c2ccc[nH]2)cc1 ZINC000872853270 1137585527 /nfs/dbraw/zinc/58/55/27/1137585527.db2.gz RCIMPRHQDOLPQF-VBKZILBWSA-N -1 0 342.439 3.748 20 0 EHADRM CC[C@](C)(CC(=O)[O-])C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000872851149 1137585533 /nfs/dbraw/zinc/58/55/33/1137585533.db2.gz QERKJETWNVOBBH-MEBBXXQBSA-N -1 0 347.333 3.653 20 0 EHADRM CC(C)(C)[C@H](NC(=O)C(C)(C)SCC(=O)[O-])c1ccc(F)cc1 ZINC000872897265 1137586304 /nfs/dbraw/zinc/58/63/04/1137586304.db2.gz DJDKAVPXLNTJSY-CQSZACIVSA-N -1 0 341.448 3.626 20 0 EHADRM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(C)(C)SCC(=O)[O-] ZINC000872918746 1137586554 /nfs/dbraw/zinc/58/65/54/1137586554.db2.gz VMLMCJDODYCOQN-HOTGVXAUSA-N -1 0 349.496 3.768 20 0 EHADRM CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)C(C)(C)CCC(=O)[O-] ZINC000872936508 1137586670 /nfs/dbraw/zinc/58/66/70/1137586670.db2.gz VRTQKRNJHKTLKV-ZDUSSCGKSA-N -1 0 345.443 3.685 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)N1CCCCC[C@@H]1c1ccccc1 ZINC000872947915 1137586758 /nfs/dbraw/zinc/58/67/58/1137586758.db2.gz XMPZBZJJWVIKEP-OAHLLOKOSA-N -1 0 335.469 3.727 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)N1CCC[C@H]1c1ccccc1Cl ZINC000872943831 1137586837 /nfs/dbraw/zinc/58/68/37/1137586837.db2.gz IJFYNIYYRLQMNT-ZDUSSCGKSA-N -1 0 341.860 3.600 20 0 EHADRM O=C([O-])CC1(CC(=O)N2CCc3c(F)cccc3C2)CCCCC1 ZINC000872956439 1137587000 /nfs/dbraw/zinc/58/70/00/1137587000.db2.gz FTOLDJZZSZBGAU-UHFFFAOYSA-N -1 0 333.403 3.526 20 0 EHADRM CC[C@H](c1ccccc1OC)N(C)C(=O)C1=C(C(=O)[O-])CCCC1 ZINC000872991395 1137587509 /nfs/dbraw/zinc/58/75/09/1137587509.db2.gz DQOIFEKATNSVLK-MRXNPFEDSA-N -1 0 331.412 3.560 20 0 EHADRM CC(C)(C)c1ccc(CNC(=O)[C@@](C)(CC(=O)[O-])c2ccsc2)o1 ZINC000872997001 1137587687 /nfs/dbraw/zinc/58/76/87/1137587687.db2.gz BDHMHFAAJSYYFU-SFHVURJKSA-N -1 0 349.452 3.687 20 0 EHADRM O=C([O-])CC1(CC(=O)NCc2cccc3ncccc23)CCCCC1 ZINC000873005300 1137587870 /nfs/dbraw/zinc/58/78/70/1137587870.db2.gz SJUIFOYWRWJSMR-UHFFFAOYSA-N -1 0 340.423 3.666 20 0 EHADRM CC1(C)CCCN(C(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])CC1 ZINC001137067518 1137589475 /nfs/dbraw/zinc/58/94/75/1137589475.db2.gz YOWUYBSMTOSNMH-UHFFFAOYSA-N -1 0 347.846 3.884 20 0 EHADRM CCCN(Cc1ccccc1F)C(=O)NCc1ccccc1C(=O)[O-] ZINC000874411567 1137613732 /nfs/dbraw/zinc/61/37/32/1137613732.db2.gz QKTMJGIQFYLIEG-UHFFFAOYSA-N -1 0 344.386 3.646 20 0 EHADRM O=Cc1ccc(-c2cccc(-n3nc(C(=O)[O-])c4c3CCCC4)c2)cc1 ZINC000874971039 1137627315 /nfs/dbraw/zinc/62/73/15/1137627315.db2.gz NFYIXVFEFLCQIW-UHFFFAOYSA-N -1 0 346.386 3.929 20 0 EHADRM O=Cc1ccc(-c2ccc(-n3nc(C(=O)[O-])c4c3CCCC4)cc2)o1 ZINC000874971737 1137627377 /nfs/dbraw/zinc/62/73/77/1137627377.db2.gz VDNLWKQOULSSGQ-UHFFFAOYSA-N -1 0 336.347 3.522 20 0 EHADRM C[C@H]1Cc2ccccc2CN1C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC001137095646 1137639219 /nfs/dbraw/zinc/63/92/19/1137639219.db2.gz JEWCBBLGUVMBGP-NSHDSACASA-N -1 0 335.325 3.998 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ncsc2C2CC2)ccc1Cl ZINC000882773585 1137834004 /nfs/dbraw/zinc/83/40/04/1137834004.db2.gz UPJPKOWMGYANEY-UHFFFAOYSA-N -1 0 328.846 3.783 20 0 EHADRM C[C@@H](c1ccc(OC(F)(F)F)cc1)[S@@](=O)C=C([O-])c1ccc[nH]1 ZINC000108116723 1137888800 /nfs/dbraw/zinc/88/88/00/1137888800.db2.gz WFJPKPKRDFIQMQ-SDWAUSNYSA-N -1 0 345.342 3.606 20 0 EHADRM CCCO[C@H]1CCCN(C(=O)c2ccc3ccccc3c2O)CC1 ZINC000108228553 1137888973 /nfs/dbraw/zinc/88/89/73/1137888973.db2.gz QPMRNKPUHVRASL-INIZCTEOSA-N -1 0 327.424 3.967 20 0 EHADRM CC(C)c1cnc([N-]S(=O)(=O)/C=C/c2ccccc2F)s1 ZINC000800035781 1137895132 /nfs/dbraw/zinc/89/51/32/1137895132.db2.gz JHSGJKTWOATLNW-BQYQJAHWSA-N -1 0 326.418 3.818 20 0 EHADRM CCCc1nc(=NC(=O)N2CC[C@H](C)[C@H]2c2cccc(F)c2)s[n-]1 ZINC000331474706 1137909760 /nfs/dbraw/zinc/90/97/60/1137909760.db2.gz DHLCQAVDMAUZAX-NHYWBVRUSA-N -1 0 348.447 3.667 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N2CCC[C@H]2c2ccccc2C)s1 ZINC000331597295 1137913961 /nfs/dbraw/zinc/91/39/61/1137913961.db2.gz UVLYLVVTHCORDZ-ZDUSSCGKSA-N -1 0 348.497 3.749 20 0 EHADRM CC1(C)CCc2nc([N-]S(=O)(=O)c3ccsc3)sc2C1 ZINC000331744203 1137919049 /nfs/dbraw/zinc/91/90/49/1137919049.db2.gz CCSUSJUBOZFJQQ-UHFFFAOYSA-N -1 0 328.484 3.520 20 0 EHADRM CC(C)O[C@@H]1C[C@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)C1(C)C ZINC000332477246 1137944979 /nfs/dbraw/zinc/94/49/79/1137944979.db2.gz UHSASEHOYPAJEU-QWHCGFSZSA-N -1 0 329.799 3.507 20 0 EHADRM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)N=c2ccc(C3CC3)n[n-]2)C1 ZINC000333237634 1137959021 /nfs/dbraw/zinc/95/90/21/1137959021.db2.gz VWEJBEYVJGFGJS-SJCJKPOMSA-N -1 0 340.402 3.530 20 0 EHADRM CC(=O)OCCCc1cccc(NC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000135568860 1137975070 /nfs/dbraw/zinc/97/50/70/1137975070.db2.gz UBVHXXLPNGQMND-UHFFFAOYSA-N -1 0 347.798 3.794 20 0 EHADRM CC[C@H]1CCc2nc(NC(=O)c3s[n-]c(=O)c3Cl)sc2C1 ZINC000282951439 1138054388 /nfs/dbraw/zinc/05/43/88/1138054388.db2.gz HHCSJNAMAUNQNP-LURJTMIESA-N -1 0 343.861 3.726 20 0 EHADRM Cc1ccc(NC(=O)N[C@](C)(Cc2ccc(F)cc2)C(=O)[O-])c(C)c1 ZINC000887277343 1138253925 /nfs/dbraw/zinc/25/39/25/1138253925.db2.gz UIIJXCNEKBCIFB-LJQANCHMSA-N -1 0 344.386 3.650 20 0 EHADRM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000122786822 1138262199 /nfs/dbraw/zinc/26/21/99/1138262199.db2.gz OHDQOIHEUSZBEO-YJBOKZPZSA-N -1 0 341.455 3.515 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1 ZINC000887315807 1138262865 /nfs/dbraw/zinc/26/28/65/1138262865.db2.gz BRYHXWRQXHBBAH-XQQFMLRXSA-N -1 0 345.292 3.865 20 0 EHADRM Cc1ccc(C)c(C(=O)N[C@@H]2c3ccccc3CC[C@H]2F)c1C(=O)[O-] ZINC000887317454 1138263738 /nfs/dbraw/zinc/26/37/38/1138263738.db2.gz KSSWLQNTJNVGAM-CRAIPNDOSA-N -1 0 341.382 3.757 20 0 EHADRM CCCOc1ccc(NC(=O)N2CCC[C@@H]2C(=O)[O-])cc1C(C)C ZINC000887382949 1138294548 /nfs/dbraw/zinc/29/45/48/1138294548.db2.gz XEOSHAWQRQCIHQ-OAHLLOKOSA-N -1 0 334.416 3.680 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000333503236 1138297747 /nfs/dbraw/zinc/29/77/47/1138297747.db2.gz CWJSRTDJKYHFRI-MRXNPFEDSA-N -1 0 336.439 3.578 20 0 EHADRM CC(C)C[C@]1(C)CCCN1C(=O)N=c1ncn(C2CCCCC2)[n-]1 ZINC000333807500 1138333505 /nfs/dbraw/zinc/33/35/05/1138333505.db2.gz HJKURLPXMIIQOD-SFHVURJKSA-N -1 0 333.480 3.638 20 0 EHADRM Cc1cc(F)ncc1Nc1ccc2ccccc2c1S(=O)(=O)[O-] ZINC001212816723 1138390243 /nfs/dbraw/zinc/39/02/43/1138390243.db2.gz IAYSATNMWSPUCS-UHFFFAOYSA-N -1 0 332.356 3.673 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)c(F)c1 ZINC000337151754 1138480398 /nfs/dbraw/zinc/48/03/98/1138480398.db2.gz KFIITTYLZIRFIT-UHFFFAOYSA-N -1 0 339.363 3.652 20 0 EHADRM CCC(CC)(CC(=O)Nc1cc(OC)ccc1OC(C)C)C(=O)[O-] ZINC000264410466 1138504623 /nfs/dbraw/zinc/50/46/23/1138504623.db2.gz IVYNWGWECPTKLD-UHFFFAOYSA-N -1 0 337.416 3.702 20 0 EHADRM CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc2ccsc21 ZINC000337396232 1138556155 /nfs/dbraw/zinc/55/61/55/1138556155.db2.gz JBAJDFXDZLATDK-UHFFFAOYSA-N -1 0 346.433 3.525 20 0 EHADRM CSc1cccc(S(=O)(=O)[N-]c2ncc(C(C)C)s2)c1 ZINC000337757769 1138660637 /nfs/dbraw/zinc/66/06/37/1138660637.db2.gz IOUYANZBQYWTFZ-UHFFFAOYSA-N -1 0 328.484 3.789 20 0 EHADRM Cc1cccc(S([O-])=CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000134039895 1138669969 /nfs/dbraw/zinc/66/99/69/1138669969.db2.gz LCIZLCYLTXHJEX-LFVRLGFBSA-N -1 0 349.883 3.976 20 0 EHADRM Cc1cn([C@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1ccsc1 ZINC000350829967 1139446809 /nfs/dbraw/zinc/44/68/09/1139446809.db2.gz KKIZHXOCSVUDMI-CYBMUJFWSA-N -1 0 347.465 3.663 20 0 EHADRM C[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)c1nc(C2CCCCC2)no1 ZINC000175855447 1139523626 /nfs/dbraw/zinc/52/36/26/1139523626.db2.gz NVMRSFFNKMURPV-SNVBAGLBSA-N -1 0 349.818 3.967 20 0 EHADRM O=C(NC1(c2cccc(F)c2)CCOCC1)c1ccc([O-])c(Cl)c1 ZINC000180088938 1139808167 /nfs/dbraw/zinc/80/81/67/1139808167.db2.gz XLGXGDVQKQUGJK-UHFFFAOYSA-N -1 0 349.789 3.620 20 0 EHADRM C[C@H]1CCN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)[C@H]1c1cccc(F)c1 ZINC000180129949 1139810739 /nfs/dbraw/zinc/81/07/39/1139810739.db2.gz RBJIJOVBJQYGTI-PWXKEOIMSA-N -1 0 333.403 3.626 20 0 EHADRM Cc1nc(C)c([C@H](C)N(C)C(=O)c2cc(F)c(F)c([O-])c2F)s1 ZINC000183582720 1140047660 /nfs/dbraw/zinc/04/76/60/1140047660.db2.gz HKFADOMJWBXPDP-ZETCQYMHSA-N -1 0 344.358 3.716 20 0 EHADRM O=C(N[C@H](C[C@H]1CCOC1)c1ccccc1)c1cc(F)c([O-])c(F)c1 ZINC000186933294 1140229294 /nfs/dbraw/zinc/22/92/94/1140229294.db2.gz FDEHFPQBRUBQJW-SJKOYZFVSA-N -1 0 347.361 3.568 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccnn2[C@@H](C)C2CC2)sc1Cl ZINC000190278986 1140396956 /nfs/dbraw/zinc/39/69/56/1140396956.db2.gz FXYPDMNEKUQFHO-VIFPVBQESA-N -1 0 345.877 3.678 20 0 EHADRM COc1cccc(CCC(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC000191393847 1140460710 /nfs/dbraw/zinc/46/07/10/1140460710.db2.gz LFTGVOZOSYCESP-AWEZNQCLSA-N -1 0 341.407 3.530 20 0 EHADRM C[C@H](C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1)c1cccc(F)c1 ZINC000191541307 1140471265 /nfs/dbraw/zinc/47/12/65/1140471265.db2.gz CGNIUAQKBJYWTB-KBXCAEBGSA-N -1 0 343.398 3.522 20 0 EHADRM C[C@H](C(=O)Nc1cc(Cl)c([O-])c(Cl)c1)N(C)CC(F)(F)F ZINC000192238492 1140513335 /nfs/dbraw/zinc/51/33/35/1140513335.db2.gz NDOICWJXTOOHRP-ZCFIWIBFSA-N -1 0 345.148 3.520 20 0 EHADRM Cc1ccc(C(C)(C)CN(C)C(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000192971546 1140557893 /nfs/dbraw/zinc/55/78/93/1140557893.db2.gz CVAVPJQIESXTFG-UHFFFAOYSA-N -1 0 331.456 3.622 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2ccccc2OC2CCCC2)CC1 ZINC000194398326 1140607464 /nfs/dbraw/zinc/60/74/64/1140607464.db2.gz RWZOIJVPNPPEAV-UHFFFAOYSA-N -1 0 331.412 3.838 20 0 EHADRM CC(C)Oc1ccc([C@H](C)NC(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000194402801 1140607830 /nfs/dbraw/zinc/60/78/30/1140607830.db2.gz ZALQMVBNRZVKLH-JEYLPNPQSA-N -1 0 333.428 3.542 20 0 EHADRM CCCn1ccc2cc(NC(=O)C3CCC(C(=O)[O-])CC3)ccc21 ZINC000194404408 1140607844 /nfs/dbraw/zinc/60/78/44/1140607844.db2.gz KYHZBXNJFHLGKC-UHFFFAOYSA-N -1 0 328.412 3.881 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@H](c2ccccc2)C2CC2)c(C)c1 ZINC000194496891 1140612033 /nfs/dbraw/zinc/61/20/33/1140612033.db2.gz XCIHKUYGUKTUSG-YKSBVNFPSA-N -1 0 341.476 3.679 20 0 EHADRM O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)c1cc(F)c([O-])c(Cl)c1 ZINC000194547512 1140613871 /nfs/dbraw/zinc/61/38/71/1140613871.db2.gz HDFPQLUANUZWRD-CVEARBPZSA-N -1 0 349.789 3.835 20 0 EHADRM CCc1ccc(N(CC)C(=O)CSc2n[n-]c(=S)s2)cc1 ZINC000266991447 1140747608 /nfs/dbraw/zinc/74/76/08/1140747608.db2.gz JERRBZQITNVXMR-UHFFFAOYSA-N -1 0 339.511 3.534 20 0 EHADRM O=C([N-]OCc1cccnc1)C1(c2ccc(F)cc2)CCCCC1 ZINC000269611797 1141126808 /nfs/dbraw/zinc/12/68/08/1141126808.db2.gz PQYCTTSCCTWNGI-UHFFFAOYSA-N -1 0 328.387 3.671 20 0 EHADRM C[C@@](O)(CC(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl)C1CC1 ZINC000270963232 1141287610 /nfs/dbraw/zinc/28/76/10/1141287610.db2.gz APQOEISYQHKYEW-CYBMUJFWSA-N -1 0 338.618 3.842 20 0 EHADRM C[C@](CC(=O)NCc1ccc(C(F)F)cc1)(C(=O)[O-])c1ccccc1 ZINC000274056344 1141469683 /nfs/dbraw/zinc/46/96/83/1141469683.db2.gz HPZBGPJZSLMDNO-LJQANCHMSA-N -1 0 347.361 3.673 20 0 EHADRM CCC(CC)n1ccc(CN(C)Cc2nc(=O)c3sccc3[n-]2)n1 ZINC000274312058 1141496041 /nfs/dbraw/zinc/49/60/41/1141496041.db2.gz ATEUPGHGGPJOHG-UHFFFAOYSA-N -1 0 345.472 3.587 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000339167016 1141516063 /nfs/dbraw/zinc/51/60/63/1141516063.db2.gz BMJPFYWJEFNJKP-JLTOFOAXSA-N -1 0 341.407 3.765 20 0 EHADRM O=C(N[C@H]1CCC[C@@H]1Cc1ccccc1)c1s[n-]c(=O)c1Cl ZINC000283042836 1141544003 /nfs/dbraw/zinc/54/40/03/1141544003.db2.gz LNKBTANHNZODML-NEPJUHHUSA-N -1 0 336.844 3.643 20 0 EHADRM Cc1cc(Cl)cc(C)c1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[nH]1 ZINC000349105689 1141639562 /nfs/dbraw/zinc/63/95/62/1141639562.db2.gz HBMMELYBBQVJCB-PLNGDYQASA-N -1 0 332.787 3.558 20 0 EHADRM O=C([O-])c1sccc1NC(=O)c1ccc(Br)s1 ZINC000019280212 202003198 /nfs/dbraw/zinc/00/31/98/202003198.db2.gz DJPKVAXXXMTJLX-UHFFFAOYSA-N -1 0 332.200 3.523 20 0 EHADRM O=C([O-])[C@H](NC(=O)/C=C/c1ccc(Cl)s1)C1CCCCC1 ZINC000038036505 202090854 /nfs/dbraw/zinc/09/08/54/202090854.db2.gz OWUHCKPAAGOTLT-RCQQVGEISA-N -1 0 327.833 3.564 20 0 EHADRM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1Cl ZINC000025366033 202130324 /nfs/dbraw/zinc/13/03/24/202130324.db2.gz ALCGNDZOHOCMJF-UHFFFAOYSA-N -1 0 325.817 3.848 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1sc2ccccc2c1Cl ZINC000031948397 212770131 /nfs/dbraw/zinc/77/01/31/212770131.db2.gz ACJJIXBXLOYFRR-UHFFFAOYSA-N -1 0 325.817 3.930 20 0 EHADRM CSc1cccc(NS(=O)(=O)c2cccc(Cl)c2[O-])c1 ZINC000339210069 450602496 /nfs/dbraw/zinc/60/24/96/450602496.db2.gz KHRINYZHFGYWDI-UHFFFAOYSA-N -1 0 329.830 3.568 20 0 EHADRM CCCCOC(=O)c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000003194969 564013609 /nfs/dbraw/zinc/01/36/09/564013609.db2.gz DBRYBZIAGFVZJN-UHFFFAOYSA-N -1 0 341.363 3.594 20 0 EHADRM c1ccc2cc(Oc3c4ccccc4nnc3-c3nnn[n-]3)ccc2c1 ZINC000738442642 598934174 /nfs/dbraw/zinc/93/41/74/598934174.db2.gz QRXWGRQCAHSORJ-UHFFFAOYSA-N -1 0 340.346 3.755 20 0 EHADRM CC[C@@H](C)Sc1ccc(NC(=O)N2CC[C@H](C(=O)[O-])C2)c(C)c1 ZINC000263511923 596910675 /nfs/dbraw/zinc/91/06/75/596910675.db2.gz YAQOOQYJVMOBCH-OLZOCXBDSA-N -1 0 336.457 3.824 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000178176701 596934329 /nfs/dbraw/zinc/93/43/29/596934329.db2.gz CFHTWTZMMUWBQV-UHFFFAOYSA-N -1 0 337.375 3.831 20 0 EHADRM C[C@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)C(=O)[O-] ZINC000739053939 597049843 /nfs/dbraw/zinc/04/98/43/597049843.db2.gz WSEVCHYIVFYJBZ-JTQLQIEISA-N -1 0 331.422 3.561 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)Nc2ccc(F)cc2C(F)(F)F)C1 ZINC000583742472 597119563 /nfs/dbraw/zinc/11/95/63/597119563.db2.gz VCMFIWGXJWEGEM-SECBINFHSA-N -1 0 348.296 3.563 20 0 EHADRM C[C@H](NC(=O)Nc1ccccc1SCc1ccccc1)C(=O)[O-] ZINC000818039970 597169130 /nfs/dbraw/zinc/16/91/30/597169130.db2.gz WGZUSUHKMDICBH-LBPRGKRZSA-N -1 0 330.409 3.574 20 0 EHADRM CCc1ccc(CN(C)C(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000737903450 597197950 /nfs/dbraw/zinc/19/79/50/597197950.db2.gz YVTZZFXIJJXLOY-UHFFFAOYSA-N -1 0 326.396 3.540 20 0 EHADRM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000818071236 597229321 /nfs/dbraw/zinc/22/93/21/597229321.db2.gz KZFZBCCDGOWKIF-NSHDSACASA-N -1 0 348.349 3.566 20 0 EHADRM O=C([O-])c1ccc(C[S@](=O)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000819687371 597285338 /nfs/dbraw/zinc/28/53/38/597285338.db2.gz OJKOIOKFKHESGD-QHCPKHFHSA-N -1 0 342.338 3.853 20 0 EHADRM Cc1nc(C)c(-c2nnc(SCc3ccc(C(=O)[O-])cc3)o2)s1 ZINC000818990721 597301927 /nfs/dbraw/zinc/30/19/27/597301927.db2.gz PZBGIASONSGBNP-UHFFFAOYSA-N -1 0 347.421 3.800 20 0 EHADRM C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)NCCCC(=O)[O-] ZINC000263467160 597308549 /nfs/dbraw/zinc/30/85/49/597308549.db2.gz KIFUIPUGBJPOAH-CQSZACIVSA-N -1 0 346.452 3.886 20 0 EHADRM O=C([O-])CCCNC(=O)N1CCC[C@H]1c1cccc2ccccc21 ZINC000263453662 597309066 /nfs/dbraw/zinc/30/90/66/597309066.db2.gz GVGBQFIUWDGKKP-KRWDZBQOSA-N -1 0 326.396 3.551 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1ccccc1Oc1cccnc1 ZINC000819626440 597318842 /nfs/dbraw/zinc/31/88/42/597318842.db2.gz UUJVWXHZGXBMQZ-UHFFFAOYSA-N -1 0 348.358 3.753 20 0 EHADRM CC[C@H](NC(=O)Nc1ccccc1CC(=O)[O-])c1ccc(C)cc1 ZINC000818143688 597321465 /nfs/dbraw/zinc/32/14/65/597321465.db2.gz LSSBCKFWSVFZEF-INIZCTEOSA-N -1 0 326.396 3.895 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N[C@@H]1CCCCc2ccccc21 ZINC000819610393 597336787 /nfs/dbraw/zinc/33/67/87/597336787.db2.gz QOSADPRRLYHMSN-GOSISDBHSA-N -1 0 338.407 3.903 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccccc1CC(=O)[O-])c1ccc(F)cc1F ZINC000818143756 597338052 /nfs/dbraw/zinc/33/80/52/597338052.db2.gz SPGGXXYBIOVCRN-OAHLLOKOSA-N -1 0 348.349 3.865 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000819609305 597338575 /nfs/dbraw/zinc/33/85/75/597338575.db2.gz HODUMIHYKZXMFK-IBGZPJMESA-N -1 0 328.412 3.668 20 0 EHADRM CC(C)(CCNC(=O)Nc1ccccc1CC(=O)[O-])c1ccccc1 ZINC000817842034 597339992 /nfs/dbraw/zinc/33/99/92/597339992.db2.gz ITEPPGURJHNCER-UHFFFAOYSA-N -1 0 340.423 3.803 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc([C@@H]3CCCOC3)cc2)c(F)c1 ZINC000821547113 597607095 /nfs/dbraw/zinc/60/70/95/597607095.db2.gz JACRMYMIWOVYDL-OAHLLOKOSA-N -1 0 343.354 3.670 20 0 EHADRM O=C([O-])C1CCN(C(=O)Nc2ncc(C3CCCCC3)s2)CC1 ZINC000262982076 597723767 /nfs/dbraw/zinc/72/37/67/597723767.db2.gz CCVIXBYMLQZBIX-UHFFFAOYSA-N -1 0 337.445 3.519 20 0 EHADRM C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000191572512 598154075 /nfs/dbraw/zinc/15/40/75/598154075.db2.gz UAQFDMRMCSBGHJ-NSHDSACASA-N -1 0 340.404 3.828 20 0 EHADRM CC(C)(C)OCc1ccccc1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000819927198 598169486 /nfs/dbraw/zinc/16/94/86/598169486.db2.gz FYSGXZDPJUPXSV-UHFFFAOYSA-N -1 0 341.407 3.881 20 0 EHADRM CC(C)OC(=O)CS[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000826990045 600840963 /nfs/dbraw/zinc/84/09/63/600840963.db2.gz MIYXXKCIBJBYLF-LBPRGKRZSA-N -1 0 337.224 3.804 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)cc1 ZINC000238035823 599706036 /nfs/dbraw/zinc/70/60/36/599706036.db2.gz OTRFGRXMUDARFY-VQTJNVASSA-N -1 0 345.398 3.958 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1ccccc1NC(=O)[O-])c1ccccc1 ZINC000736359129 599707955 /nfs/dbraw/zinc/70/79/55/599707955.db2.gz URHGXHDFVDEPRW-MRXNPFEDSA-N -1 0 326.396 3.946 20 0 EHADRM CCCC[C@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)[O-] ZINC000736984147 599708829 /nfs/dbraw/zinc/70/88/29/599708829.db2.gz HBZCASSSLKNXAV-ZDUSSCGKSA-N -1 0 335.429 3.532 20 0 EHADRM Cc1cc([C@H]2CCCN2C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)on1 ZINC000738378553 599714837 /nfs/dbraw/zinc/71/48/37/599714837.db2.gz IMEHMYXNPIHEDB-CYBMUJFWSA-N -1 0 348.334 3.581 20 0 EHADRM COc1cccc(CN(C)C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000738098221 599715867 /nfs/dbraw/zinc/71/58/67/599715867.db2.gz YDSSNHZGKFELDK-UHFFFAOYSA-N -1 0 347.346 3.588 20 0 EHADRM Cc1cc(CNC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)ccc1F ZINC000738389694 599715927 /nfs/dbraw/zinc/71/59/27/599715927.db2.gz UYOAUXDZHUVIQQ-UHFFFAOYSA-N -1 0 335.310 3.685 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)ccc1F ZINC000740005765 599716287 /nfs/dbraw/zinc/71/62/87/599716287.db2.gz QDPPPLHCRZGBML-MRVPVSSYSA-N -1 0 349.284 3.722 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)NCCCOc2ccccc2)ccc1F ZINC000740008889 599717855 /nfs/dbraw/zinc/71/78/55/599717855.db2.gz SEQBTPIZFLNQKF-UHFFFAOYSA-N -1 0 347.346 3.506 20 0 EHADRM O=C([O-])CCCCCNC(=O)N1CCC[C@@H](c2ccccc2)CC1 ZINC000414627893 599719197 /nfs/dbraw/zinc/71/91/97/599719197.db2.gz NVRKVSDSWOBXHM-QGZVFWFLSA-N -1 0 332.444 3.611 20 0 EHADRM CSCc1ccc(NC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000738145724 599719592 /nfs/dbraw/zinc/71/95/92/599719592.db2.gz DMFVWHCTUCGGRH-INIZCTEOSA-N -1 0 344.436 3.887 20 0 EHADRM Cc1ccc2c(Cl)c(C(=O)N3CCC(C(=O)[O-])CC3)sc2c1 ZINC000676209925 599723978 /nfs/dbraw/zinc/72/39/78/599723978.db2.gz KARBJSLZMKDEMS-UHFFFAOYSA-N -1 0 337.828 3.800 20 0 EHADRM C[C@H](NC(=O)CCCN(C)C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000736637074 599724901 /nfs/dbraw/zinc/72/49/01/599724901.db2.gz RDIODGARVDYOCJ-VIFPVBQESA-N -1 0 333.215 3.561 20 0 EHADRM O=C([O-])NCCC(=O)Nc1ccccc1Oc1ccc(Cl)cc1 ZINC000739946516 599727652 /nfs/dbraw/zinc/72/76/52/599727652.db2.gz DVHCDPFMGSEQHD-UHFFFAOYSA-N -1 0 334.759 3.729 20 0 EHADRM O=C([O-])c1ccc(C(=O)Oc2ccccc2OCC(F)(F)F)cc1 ZINC000740120758 599731313 /nfs/dbraw/zinc/73/13/13/599731313.db2.gz LKAFNTGMDLDPHP-UHFFFAOYSA-N -1 0 340.253 3.545 20 0 EHADRM Cc1cccc(CN(Cc2ccco2)C(=O)CCCN(C)C(=O)[O-])c1 ZINC000738707738 599731414 /nfs/dbraw/zinc/73/14/14/599731414.db2.gz DTNLBVYZTBWHNU-UHFFFAOYSA-N -1 0 344.411 3.507 20 0 EHADRM Cc1oc(CSCc2nc(Cc3ccccc3)no2)cc1C(=O)[O-] ZINC000738975751 599734654 /nfs/dbraw/zinc/73/46/54/599734654.db2.gz MEVYBFXQGRKTDY-UHFFFAOYSA-N -1 0 344.392 3.693 20 0 EHADRM CC[C@@H](NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)C1CCCCC1 ZINC000324465792 599737077 /nfs/dbraw/zinc/73/70/77/599737077.db2.gz ZKAZZEKEMVGNHL-QGZVFWFLSA-N -1 0 332.444 3.885 20 0 EHADRM O=C([O-])c1sccc1NC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000739339187 599745102 /nfs/dbraw/zinc/74/51/02/599745102.db2.gz RMBGOBFIGGGRSZ-UHFFFAOYSA-N -1 0 334.784 3.762 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000236946000 599745541 /nfs/dbraw/zinc/74/55/41/599745541.db2.gz URSXLXNHDVCSQO-ACJLOTCBSA-N -1 0 343.398 3.824 20 0 EHADRM C[C@@H](Nc1ccc(NC(=O)C(C)(C)NC(=O)[O-])cc1)c1ccccc1 ZINC000736672486 599748372 /nfs/dbraw/zinc/74/83/72/599748372.db2.gz PWKUDQKZBQJGEQ-CYBMUJFWSA-N -1 0 341.411 3.844 20 0 EHADRM O=C([O-])c1cccc(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000238209762 599753833 /nfs/dbraw/zinc/75/38/33/599753833.db2.gz STYQLCHYAMVMNL-KRWDZBQOSA-N -1 0 327.355 3.795 20 0 EHADRM Cc1[nH]c(C(=O)NC2(c3cccc(C)c3)CCCC2)c(C)c1C(=O)[O-] ZINC000738687323 599754497 /nfs/dbraw/zinc/75/44/97/599754497.db2.gz ILQIDLNXADRIKI-UHFFFAOYSA-N -1 0 340.423 3.837 20 0 EHADRM COc1ccc([C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(=O)[O-])cc1 ZINC000563728039 599754744 /nfs/dbraw/zinc/75/47/44/599754744.db2.gz ALOYWZVFPPYABO-QGZVFWFLSA-N -1 0 341.407 3.548 20 0 EHADRM O=C([O-])c1sccc1NC(=O)c1ccnc(Oc2ccccc2)c1 ZINC000739486629 599764339 /nfs/dbraw/zinc/76/43/39/599764339.db2.gz BBCUEAOLNWCRRX-UHFFFAOYSA-N -1 0 340.360 3.886 20 0 EHADRM CCSc1ccc(C(=O)Oc2ccc(Cl)cc2C(=O)[O-])cn1 ZINC000737228663 599764551 /nfs/dbraw/zinc/76/45/51/599764551.db2.gz DDGRDWCFDGKNQT-UHFFFAOYSA-N -1 0 337.784 3.764 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)cc1 ZINC000238048457 599767860 /nfs/dbraw/zinc/76/78/60/599767860.db2.gz XWXAKZUXSVHATP-IRXDYDNUSA-N -1 0 327.355 3.585 20 0 EHADRM CCCc1c(C(=O)N[C@@H]2CCc3c2cccc3C)[nH]c(C)c1C(=O)[O-] ZINC000737039694 599774932 /nfs/dbraw/zinc/77/49/32/599774932.db2.gz HCJLIHZZNSDGMX-MRXNPFEDSA-N -1 0 340.423 3.700 20 0 EHADRM C[C@H](CNc1nc(C2CC2)nc2sc3c(c21)CCCC3)C(=O)[O-] ZINC000736606683 599783141 /nfs/dbraw/zinc/78/31/41/599783141.db2.gz IFNZRAQCZYQTAR-SECBINFHSA-N -1 0 331.441 3.580 20 0 EHADRM Cc1ccc(-c2csc3ncnc(NC[C@@H](C)C(=O)[O-])c23)cc1 ZINC000738493540 599784004 /nfs/dbraw/zinc/78/40/04/599784004.db2.gz QRZCFIVQNJJSBX-LLVKDONJSA-N -1 0 327.409 3.799 20 0 EHADRM CC(C)[C@H](OC(=O)/C=C/c1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000736390344 599784533 /nfs/dbraw/zinc/78/45/33/599784533.db2.gz NXIJXCVXYMYOCC-ZGKFYVQTSA-N -1 0 332.396 3.674 20 0 EHADRM O=C([O-])c1ccccc1C(=O)OCc1csc(-c2ccsc2)n1 ZINC000740238855 599787230 /nfs/dbraw/zinc/78/72/30/599787230.db2.gz ACWLYRICCAUBQU-UHFFFAOYSA-N -1 0 345.401 3.927 20 0 EHADRM C[C@@H](OC(=O)c1ccccc1C(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000736695395 599788773 /nfs/dbraw/zinc/78/87/73/599788773.db2.gz BONVZUFUJHBVHX-SNVBAGLBSA-N -1 0 336.290 3.904 20 0 EHADRM O=C([O-])c1occc1COC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000740280598 599791479 /nfs/dbraw/zinc/79/14/79/599791479.db2.gz CSTAWXSVQAQAFM-SJORKVTESA-N -1 0 336.343 3.978 20 0 EHADRM O=C([O-])c1ccc(CN2CCc3[nH]c4ccc(Cl)cc4c3C2)o1 ZINC000740125405 599796008 /nfs/dbraw/zinc/79/60/08/599796008.db2.gz AISNVRLXEPYKDA-UHFFFAOYSA-N -1 0 330.771 3.671 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)Cc1cc(C)ccc1C ZINC000737874550 599796397 /nfs/dbraw/zinc/79/63/97/599796397.db2.gz WEDOLXXNCKYANZ-VQHVLOKHSA-N -1 0 340.375 3.558 20 0 EHADRM CCCCCC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000621553233 599800415 /nfs/dbraw/zinc/80/04/15/599800415.db2.gz RROLNNKWAAGBFJ-UHFFFAOYSA-N -1 0 333.306 3.845 20 0 EHADRM O=C([O-])c1ccc(CSc2nnc(-c3ccccc3Cl)o2)o1 ZINC000740137346 599802208 /nfs/dbraw/zinc/80/22/08/599802208.db2.gz XLJBPGYGRIPCEA-UHFFFAOYSA-N -1 0 336.756 3.974 20 0 EHADRM COc1ccc(NC(=S)Nc2cc(C(=O)[O-])ccc2C)cc1F ZINC000738039742 599805941 /nfs/dbraw/zinc/80/59/41/599805941.db2.gz NMOPFIFSDMPDJK-UHFFFAOYSA-N -1 0 334.372 3.650 20 0 EHADRM CC(C)Sc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000262061073 599806094 /nfs/dbraw/zinc/80/60/94/599806094.db2.gz YZFWGVYGKVZSNA-INIZCTEOSA-N -1 0 343.448 3.613 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1ccc(C(F)F)cc1)C(=O)[O-] ZINC000736582444 599811604 /nfs/dbraw/zinc/81/16/04/599811604.db2.gz HVIJUQHEOYCWGC-ZDUSSCGKSA-N -1 0 347.361 3.987 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1c(F)cccc1F ZINC000736649823 599824617 /nfs/dbraw/zinc/82/46/17/599824617.db2.gz WQSVWALFSPHDBU-LLVKDONJSA-N -1 0 348.349 3.865 20 0 EHADRM C[C@@H](c1ccccc1)N(C)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000383813267 599828244 /nfs/dbraw/zinc/82/82/44/599828244.db2.gz KQJGUFICPBTEDD-AWEZNQCLSA-N -1 0 326.396 3.929 20 0 EHADRM CC[C@H](C)Oc1cc(/C=C(\C(=O)[O-])c2ccncc2)ccc1OC ZINC000736888477 599830693 /nfs/dbraw/zinc/83/06/93/599830693.db2.gz XYILIEZFCJWIGN-RERGGYADSA-N -1 0 327.380 3.893 20 0 EHADRM O=C([O-])/C(=C/c1cnn(Cc2ccccc2Cl)c1)c1ccncc1 ZINC000739490308 599831386 /nfs/dbraw/zinc/83/13/86/599831386.db2.gz MDEVOTWHEBQIMC-CXUHLZMHSA-N -1 0 339.782 3.605 20 0 EHADRM C[C@@H](CCc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000392113047 599836342 /nfs/dbraw/zinc/83/63/42/599836342.db2.gz RKBSIQLRYOHQLJ-LBPRGKRZSA-N -1 0 330.359 3.667 20 0 EHADRM CN(C(=O)CCCOc1ccccc1Cl)c1ccccc1C(=O)[O-] ZINC000737317199 599837460 /nfs/dbraw/zinc/83/74/60/599837460.db2.gz FCBMVKFJMZVAHM-UHFFFAOYSA-N -1 0 347.798 3.860 20 0 EHADRM CC(C)c1cc(C(=O)N(C)c2ccccc2C(=O)[O-])nn1C(C)(C)C ZINC000736509925 599837492 /nfs/dbraw/zinc/83/74/92/599837492.db2.gz DNWUFAVOKWXVPG-UHFFFAOYSA-N -1 0 343.427 3.736 20 0 EHADRM CN(CCCC(=O)N(Cc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000737418084 599839463 /nfs/dbraw/zinc/83/94/63/599839463.db2.gz NZLRHLFLFKQEMP-UHFFFAOYSA-N -1 0 326.396 3.610 20 0 EHADRM O=C([O-])c1sccc1NC(=O)Cc1ccccc1C(F)(F)F ZINC000739344514 599840031 /nfs/dbraw/zinc/84/00/31/599840031.db2.gz AHZPNQVTVOISPL-UHFFFAOYSA-N -1 0 329.299 3.646 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2sccc2OC(F)F)c(F)cc1F ZINC000740089051 599840927 /nfs/dbraw/zinc/84/09/27/599840927.db2.gz PKENAZREFVIVOH-UHFFFAOYSA-N -1 0 349.261 3.578 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)Cc1ccccc1C(F)(F)F ZINC000739344595 599841874 /nfs/dbraw/zinc/84/18/74/599841874.db2.gz DRNOYBWRVAFTOX-UHFFFAOYSA-N -1 0 329.299 3.646 20 0 EHADRM Cc1ccc(OCCC(=O)Nc2cccc(F)c2C(=O)[O-])cc1C ZINC000325026446 599845137 /nfs/dbraw/zinc/84/51/37/599845137.db2.gz HRECQQOEVPWUSI-UHFFFAOYSA-N -1 0 331.343 3.548 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)CSc1ccccc1Cl ZINC000314272686 599846084 /nfs/dbraw/zinc/84/60/84/599846084.db2.gz UXXGJGRADXXVMJ-UHFFFAOYSA-N -1 0 339.775 3.908 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)c1cccc2c[nH]nc21 ZINC000238017170 599849328 /nfs/dbraw/zinc/84/93/28/599849328.db2.gz JWIIIDRPAKUTIT-UHFFFAOYSA-N -1 0 331.331 3.667 20 0 EHADRM O=C([O-])c1coc(CN2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c1 ZINC000740269341 599850097 /nfs/dbraw/zinc/85/00/97/599850097.db2.gz NFYXVDCSAOBSRL-RKDXNWHRSA-N -1 0 345.239 3.541 20 0 EHADRM CN(CC(=O)[O-])C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000237169965 599851274 /nfs/dbraw/zinc/85/12/74/599851274.db2.gz PBNLBLOZMOYOFM-UHFFFAOYSA-N -1 0 349.839 3.789 20 0 EHADRM O=C([O-])c1ccc(COc2cccc(OCC(F)(F)F)c2)cc1 ZINC000740135015 599856442 /nfs/dbraw/zinc/85/64/42/599856442.db2.gz VYDVKPPTDDYMCC-UHFFFAOYSA-N -1 0 326.270 3.905 20 0 EHADRM O=C([O-])CN(Cc1ccc(F)c(F)c1)Cc1ccc(F)cc1Cl ZINC000739795185 599866141 /nfs/dbraw/zinc/86/61/41/599866141.db2.gz BXYYBAOPINROOO-UHFFFAOYSA-N -1 0 343.732 3.844 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2CCCC[C@H]2Cc2ccccc2)s1 ZINC000740111459 599868127 /nfs/dbraw/zinc/86/81/27/599868127.db2.gz VXNRFFDSJDQODQ-GJZGRUSLSA-N -1 0 343.448 3.978 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)c1cc(Cl)c[nH]1 ZINC000739436573 599872754 /nfs/dbraw/zinc/87/27/54/599872754.db2.gz SCPKTRBNPISZLJ-UHFFFAOYSA-N -1 0 334.784 3.511 20 0 EHADRM Cc1cc(C(=O)N(C)C[C@@H](C)C(=O)[O-])sc1-c1ccc(F)cc1 ZINC000237575584 599875310 /nfs/dbraw/zinc/87/53/10/599875310.db2.gz YMXCEODDVFQVIV-LLVKDONJSA-N -1 0 335.400 3.655 20 0 EHADRM Cc1nc(-c2cccs2)sc1C(=O)OCc1cc(C(=O)[O-])co1 ZINC000738837548 599880318 /nfs/dbraw/zinc/88/03/18/599880318.db2.gz GGZQBNKWSQQQIR-UHFFFAOYSA-N -1 0 349.389 3.828 20 0 EHADRM O=C([O-])c1coc(COC(=O)c2cc(F)c(Cl)cc2Cl)c1 ZINC000740269632 599880883 /nfs/dbraw/zinc/88/08/83/599880883.db2.gz KOCVPGPQLQESAD-UHFFFAOYSA-N -1 0 333.098 3.781 20 0 EHADRM O=C([O-])c1coc(COC(=O)CCOc2ccc3ccccc3c2)c1 ZINC000739250816 599881835 /nfs/dbraw/zinc/88/18/35/599881835.db2.gz LDAGGJQFQMUMOP-UHFFFAOYSA-N -1 0 340.331 3.643 20 0 EHADRM COc1cccc(C2(C(=O)Nc3ccc(C(=O)[O-])cc3)CCCC2)c1 ZINC000237345965 599887794 /nfs/dbraw/zinc/88/77/94/599887794.db2.gz QYDJOZLCMUCTQO-UHFFFAOYSA-N -1 0 339.391 3.844 20 0 EHADRM Cc1ccc2c(c1C)OC[C@H]2NC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000738670521 599887811 /nfs/dbraw/zinc/88/78/11/599887811.db2.gz MBXNFVUQVWJYME-OAHLLOKOSA-N -1 0 341.367 3.649 20 0 EHADRM O=C([O-])CCCCCNC(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000739668305 599888680 /nfs/dbraw/zinc/88/86/80/599888680.db2.gz PHAUPHISBFTKRJ-MSOLQXFVSA-N -1 0 346.471 3.732 20 0 EHADRM CCOCc1cccc(NC(=O)N[C@@H](CC(=O)[O-])c2cccs2)c1 ZINC000737178088 599893327 /nfs/dbraw/zinc/89/33/27/599893327.db2.gz OVVSFSWTBKRNMZ-AWEZNQCLSA-N -1 0 348.424 3.622 20 0 EHADRM CC[C@H](NC(=O)c1cccc(NC(=O)[O-])c1)c1ccc(OC)cc1 ZINC000736920058 599896800 /nfs/dbraw/zinc/89/68/00/599896800.db2.gz MIZANPGBVLFUST-INIZCTEOSA-N -1 0 328.368 3.666 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)OCc1ccoc1C(=O)[O-] ZINC000736892538 599903848 /nfs/dbraw/zinc/90/38/48/599903848.db2.gz VFYXMRVZQHOBRH-YXVBKTCISA-N -1 0 344.363 3.912 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000236716607 599907125 /nfs/dbraw/zinc/90/71/25/599907125.db2.gz PVQGEHSCTPKWPL-AWEZNQCLSA-N -1 0 345.361 3.682 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CS(=O)(=O)c1ccccc1 ZINC000314133654 599908376 /nfs/dbraw/zinc/90/83/76/599908376.db2.gz NYYQYWXVRYLXBA-UHFFFAOYSA-N -1 0 332.402 3.573 20 0 EHADRM C[C@H](CC(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21)c1ccccc1F ZINC000262444717 599913165 /nfs/dbraw/zinc/91/31/65/599913165.db2.gz UAGOMNWRCGCUSA-OMNBBPDLSA-N -1 0 333.403 3.564 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(OCCC(=O)[O-])cc1)c1ccccc1F ZINC000237472892 599914008 /nfs/dbraw/zinc/91/40/08/599914008.db2.gz MRTNAHKWAXDCES-CYBMUJFWSA-N -1 0 345.370 3.812 20 0 EHADRM Cc1cc(NC(=O)CCOc2ccc(Cl)cc2)ccc1C(=O)[O-] ZINC000237700449 599916022 /nfs/dbraw/zinc/91/60/22/599916022.db2.gz ZVPRTMAPLIGOIS-UHFFFAOYSA-N -1 0 333.771 3.754 20 0 EHADRM C[C@@H](CN(C(=O)c1ccc(SC(F)(F)F)cc1)C1CC1)C(=O)[O-] ZINC000237465092 599921174 /nfs/dbraw/zinc/92/11/74/599921174.db2.gz UIZZLBOHRUMLSH-VIFPVBQESA-N -1 0 347.358 3.624 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2)cc1OCC(F)F ZINC000237657638 599926658 /nfs/dbraw/zinc/92/66/58/599926658.db2.gz DRIQUFLKGKPKRF-UHFFFAOYSA-N -1 0 335.306 3.589 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OC(=O)Cc1coc(-c2cccs2)n1 ZINC000738539077 599928454 /nfs/dbraw/zinc/92/84/54/599928454.db2.gz BUJZPWYQJOIPES-UHFFFAOYSA-N -1 0 343.360 3.558 20 0 EHADRM CC[C@](C)(NC(=O)c1ccc(-c2ccc(F)cc2)cc1F)C(=O)[O-] ZINC000736861637 599928937 /nfs/dbraw/zinc/92/89/37/599928937.db2.gz RCNAJZUBJHJBIJ-SFHVURJKSA-N -1 0 333.334 3.615 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)c1ccc(C(F)F)cc1)c1ccccc1 ZINC000739662487 599931007 /nfs/dbraw/zinc/93/10/07/599931007.db2.gz LBHHHGRLHBIREZ-HNNXBMFYSA-N -1 0 333.334 3.960 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)NCc2ccc(-c3ccccc3)o2)c1 ZINC000740031635 599932743 /nfs/dbraw/zinc/93/27/43/599932743.db2.gz RQOFRQGHHQSKSH-UHFFFAOYSA-N -1 0 336.347 3.967 20 0 EHADRM O=C([O-])CCCNC(=O)NCc1ccccc1-c1ccc(Cl)cc1 ZINC000738576587 599942986 /nfs/dbraw/zinc/94/29/86/599942986.db2.gz HLFJIWKNKNXKKZ-UHFFFAOYSA-N -1 0 346.814 3.671 20 0 EHADRM CC[C@@H](Nc1ccccc1)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000736925670 599954436 /nfs/dbraw/zinc/95/44/36/599954436.db2.gz WEULNRWIQQPWAN-MRXNPFEDSA-N -1 0 327.384 3.630 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)Nc2ccc(CC(=O)[O-])cc2)c(C)c1 ZINC000738588371 599956618 /nfs/dbraw/zinc/95/66/18/599956618.db2.gz DNEGSXRNKZHFCZ-OAHLLOKOSA-N -1 0 340.423 3.683 20 0 EHADRM O=C([O-])CSCCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000739850810 599960768 /nfs/dbraw/zinc/96/07/68/599960768.db2.gz ZZAPIZXNOKCDPX-UHFFFAOYSA-N -1 0 331.393 3.625 20 0 EHADRM Cc1ccccc1C1(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)CC1 ZINC000738761772 599969435 /nfs/dbraw/zinc/96/94/35/599969435.db2.gz UTJDGXVVLIIIED-UHFFFAOYSA-N -1 0 339.391 3.519 20 0 EHADRM Cc1cccc(NC(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])c1C ZINC000738736404 599993839 /nfs/dbraw/zinc/99/38/39/599993839.db2.gz XNPBGTCQRZTTRU-HNNXBMFYSA-N -1 0 344.386 3.508 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000737330998 599993967 /nfs/dbraw/zinc/99/39/67/599993967.db2.gz GYQKXUYSUHCVKM-KBPBESRZSA-N -1 0 346.333 3.821 20 0 EHADRM Cc1ccc(C)c(NC(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])c1 ZINC000738574968 599994035 /nfs/dbraw/zinc/99/40/35/599994035.db2.gz SCCIPTAURZOQRV-HNNXBMFYSA-N -1 0 344.386 3.508 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCc3c(Cl)ccc(F)c32)cc1 ZINC000740110106 599998204 /nfs/dbraw/zinc/99/82/04/599998204.db2.gz SRYAGAMXXXLTOA-UHFFFAOYSA-N -1 0 333.746 3.770 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)OCc1ccc(C(=O)[O-])cc1 ZINC000738120540 600001960 /nfs/dbraw/zinc/00/19/60/600001960.db2.gz MSBKKEHFZFTBPM-CYBMUJFWSA-N -1 0 328.364 3.630 20 0 EHADRM Cc1sc(NC(=O)C(=O)c2ccc(Cl)cc2)c(C(=O)[O-])c1C ZINC000738396748 600005948 /nfs/dbraw/zinc/00/59/48/600005948.db2.gz KCQJAPPHVHRKKH-UHFFFAOYSA-N -1 0 337.784 3.538 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=S)Nc2ccc(Cl)nc2)cc1 ZINC000737335053 600008022 /nfs/dbraw/zinc/00/80/22/600008022.db2.gz BJFDQHGWDBEONS-UHFFFAOYSA-N -1 0 336.804 3.658 20 0 EHADRM O=C([O-])N1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 ZINC000739920286 600012373 /nfs/dbraw/zinc/01/23/73/600012373.db2.gz LCKYTRHFRQCROD-QGZVFWFLSA-N -1 0 345.443 3.853 20 0 EHADRM COc1ccc([C@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1F ZINC000737947318 600017412 /nfs/dbraw/zinc/01/74/12/600017412.db2.gz HPZIBDHUFBMTRL-NSHDSACASA-N -1 0 346.358 3.724 20 0 EHADRM O=C([O-])C1CCC(NC(=O)N[C@H](c2ccccc2)C2CCCC2)CC1 ZINC000263075680 600017831 /nfs/dbraw/zinc/01/78/31/600017831.db2.gz UGHKCPFSBMOKFF-DAWZGUTISA-N -1 0 344.455 3.861 20 0 EHADRM CC(C)CC[C@@H](C)NC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000736428571 600020271 /nfs/dbraw/zinc/02/02/71/600020271.db2.gz LAESAVYCLNXJTE-CYBMUJFWSA-N -1 0 338.473 3.951 20 0 EHADRM C[C@H](CCNC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000392615512 600021434 /nfs/dbraw/zinc/02/14/34/600021434.db2.gz BVFZDPQOUHLSOI-CQSZACIVSA-N -1 0 338.407 3.604 20 0 EHADRM CCC[C@@H]1CCCC[C@@H]1NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736975929 600023349 /nfs/dbraw/zinc/02/33/49/600023349.db2.gz VGOOBXOLPSFZPG-DYVFJYSZSA-N -1 0 330.428 3.769 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000736891609 600023420 /nfs/dbraw/zinc/02/34/20/600023420.db2.gz PDPSIIGOQLUDBP-AWEZNQCLSA-N -1 0 342.391 3.812 20 0 EHADRM O=C([O-])C1CCC(NC(=O)NC2(c3ccc(F)cc3)CCCC2)CC1 ZINC000738481127 600023875 /nfs/dbraw/zinc/02/38/75/600023875.db2.gz FHLNCRCAVUCCBD-UHFFFAOYSA-N -1 0 348.418 3.538 20 0 EHADRM CCCC[C@@H]1CCC[C@@H]1NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736985414 600024074 /nfs/dbraw/zinc/02/40/74/600024074.db2.gz OOEXKEMONIDLLM-DYVFJYSZSA-N -1 0 330.428 3.769 20 0 EHADRM Cc1cccc(C[C@H](CNC(=O)Nc2ccc(C)c(F)c2)C(=O)[O-])c1 ZINC000738709753 600024742 /nfs/dbraw/zinc/02/47/42/600024742.db2.gz WVODNCGEVTZRTJ-OAHLLOKOSA-N -1 0 344.386 3.508 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)C2(c3ccc(Cl)cc3)CC2)c1 ZINC000739889572 600025181 /nfs/dbraw/zinc/02/51/81/600025181.db2.gz PMDDEJBMKDQIJW-UHFFFAOYSA-N -1 0 330.767 3.604 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)CCC(=O)c2ccc(Cl)cc2)c1 ZINC000739889168 600026854 /nfs/dbraw/zinc/02/68/54/600026854.db2.gz ITJPZIIQRACQPT-UHFFFAOYSA-N -1 0 346.766 3.536 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)CSc2ccc3c(c2)CCC3)c1 ZINC000739889181 600029185 /nfs/dbraw/zinc/02/91/85/600029185.db2.gz IWVIDBJMFGFDSZ-UHFFFAOYSA-N -1 0 342.416 3.500 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)N(CCc2ccccc2)C2CC2)cc1 ZINC000739877421 600032210 /nfs/dbraw/zinc/03/22/10/600032210.db2.gz OIFAPMUMJIHKLK-UHFFFAOYSA-N -1 0 338.407 3.553 20 0 EHADRM O=C([O-])C1CCC(NC(=S)Nc2ccc(Cl)cc2Cl)CC1 ZINC000739563839 600034472 /nfs/dbraw/zinc/03/44/72/600034472.db2.gz SNWAYBRBGGFOPY-UHFFFAOYSA-N -1 0 347.267 3.923 20 0 EHADRM CO[C@@](C)(C(=O)Oc1ccc(C(=O)[O-])cc1Cl)c1ccccc1 ZINC000737724260 600035487 /nfs/dbraw/zinc/03/54/87/600035487.db2.gz XIODJGOMGKEARD-QGZVFWFLSA-N -1 0 334.755 3.505 20 0 EHADRM CC(C)[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000236597671 600035850 /nfs/dbraw/zinc/03/58/50/600035850.db2.gz USYKLFTUKDBEMY-LJQANCHMSA-N -1 0 325.408 3.831 20 0 EHADRM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(-c2ccc(Cl)cc2)cc1F ZINC000238083457 600035954 /nfs/dbraw/zinc/03/59/54/600035954.db2.gz HNTNLRAQSQASRH-MRXNPFEDSA-N -1 0 347.773 3.835 20 0 EHADRM CCN(C(=O)CCc1ccc(C(=O)[O-])cc1)c1cc(C)ccc1C ZINC000737054088 600037863 /nfs/dbraw/zinc/03/78/63/600037863.db2.gz WRCDCWYMULWEDH-UHFFFAOYSA-N -1 0 325.408 3.987 20 0 EHADRM COc1ccccc1C/C(C)=C\C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000738123806 600038168 /nfs/dbraw/zinc/03/81/68/600038168.db2.gz JAUHIXWZCBWVRY-OWBHPGMISA-N -1 0 339.391 3.829 20 0 EHADRM COc1cccc([C@H]2C[C@@H]2C(=O)Oc2ccc(Cl)cc2C(=O)[O-])c1 ZINC000738095379 600038868 /nfs/dbraw/zinc/03/88/68/600038868.db2.gz GFFACJZVQXMTDL-KGLIPLIRSA-N -1 0 346.766 3.756 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)Cc1ccc3ccccc3c1)C2 ZINC000326916619 600041956 /nfs/dbraw/zinc/04/19/56/600041956.db2.gz OLPXEFAWGRXZIP-UHFFFAOYSA-N -1 0 331.371 3.623 20 0 EHADRM Cc1onc(-c2ccccc2)c1C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000738988534 600043064 /nfs/dbraw/zinc/04/30/64/600043064.db2.gz YDSSJEHROZJCPN-UHFFFAOYSA-N -1 0 348.358 3.504 20 0 EHADRM Cc1ccc(F)c2c1CCCN2C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000738606685 600045637 /nfs/dbraw/zinc/04/56/37/600045637.db2.gz KNDMGXSIOSPGHH-UHFFFAOYSA-N -1 0 341.382 3.744 20 0 EHADRM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000262054791 600051891 /nfs/dbraw/zinc/05/18/91/600051891.db2.gz IQLDDIRZIMPUBH-HLIUYOAVSA-N -1 0 347.455 3.511 20 0 EHADRM O=C([O-])CCCNC(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1 ZINC000428097274 600058124 /nfs/dbraw/zinc/05/81/24/600058124.db2.gz COFCUGXYDLFMKY-QGZVFWFLSA-N -1 0 347.411 3.640 20 0 EHADRM O=C([O-])c1cc(F)ccc1CSc1nnc(-c2cccs2)o1 ZINC000740078879 600058197 /nfs/dbraw/zinc/05/81/97/600058197.db2.gz VKMOZOFOOYNTSD-UHFFFAOYSA-N -1 0 336.369 3.928 20 0 EHADRM O=C([O-])c1cc(F)ccc1CSc1nncn1-c1ccccc1F ZINC000740077019 600058308 /nfs/dbraw/zinc/05/83/08/600058308.db2.gz AQTGEXKYVRGHHU-UHFFFAOYSA-N -1 0 347.346 3.536 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)C(C)(C)c1ccccc1Cl ZINC000737858001 600060883 /nfs/dbraw/zinc/06/08/83/600060883.db2.gz JQAUCPDTMFZSAC-UHFFFAOYSA-N -1 0 348.782 3.930 20 0 EHADRM CC(C)Sc1ccc([C@@H](C)NC(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC000236632864 600063515 /nfs/dbraw/zinc/06/35/15/600063515.db2.gz QAAGSLCBACISIQ-GFCCVEGCSA-N -1 0 344.436 3.771 20 0 EHADRM CCSc1ccc([C@@H](C)NC(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000236938092 600063538 /nfs/dbraw/zinc/06/35/38/600063538.db2.gz ACKCLNCDPLZVRS-GFCCVEGCSA-N -1 0 329.421 3.988 20 0 EHADRM CCc1sc(C(=O)NC[C@H](Cc2cccc(C)c2)C(=O)[O-])cc1C ZINC000237103559 600063710 /nfs/dbraw/zinc/06/37/10/600063710.db2.gz YVQKMHLOWVSCSI-HNNXBMFYSA-N -1 0 345.464 3.601 20 0 EHADRM CCc1onc(C)c1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000192884172 600067302 /nfs/dbraw/zinc/06/73/02/600067302.db2.gz PTIRVRULVHGCBK-UHFFFAOYSA-N -1 0 348.424 3.506 20 0 EHADRM Cc1cccc(C[C@@H](CNC(=O)c2ccc3ccccc3c2)C(=O)[O-])c1 ZINC000237681075 600071004 /nfs/dbraw/zinc/07/10/04/600071004.db2.gz AGVPKDKWMKCNTD-FQEVSTJZSA-N -1 0 347.414 3.822 20 0 EHADRM CCn1cc(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c2ccccc21 ZINC000737301818 600072294 /nfs/dbraw/zinc/07/22/94/600072294.db2.gz BJEUDZHSSYIXKY-UHFFFAOYSA-N -1 0 334.375 3.515 20 0 EHADRM COc1ccccc1C(C)=CC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000738120153 600074799 /nfs/dbraw/zinc/07/47/99/600074799.db2.gz IYLNZFPCAAXWJC-BENRWUELSA-N -1 0 326.352 3.827 20 0 EHADRM Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000738306182 600081345 /nfs/dbraw/zinc/08/13/45/600081345.db2.gz XOSTXORVYDSYDB-CABCVRRESA-N -1 0 329.783 3.975 20 0 EHADRM COc1cccc([C@@H](C)C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000738093177 600086338 /nfs/dbraw/zinc/08/63/38/600086338.db2.gz WBLWTOBKVPFBAJ-SNVBAGLBSA-N -1 0 332.331 3.666 20 0 EHADRM Cc1c(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)oc2c1C(=O)CCC2 ZINC000738262987 600087201 /nfs/dbraw/zinc/08/72/01/600087201.db2.gz KXLXJANJRVCPRP-UHFFFAOYSA-N -1 0 346.314 3.588 20 0 EHADRM Cc1[nH]c2ccccc2c1Cc1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000738248213 600112701 /nfs/dbraw/zinc/11/27/01/600112701.db2.gz CPPPSFXMAJYRMS-UHFFFAOYSA-N -1 0 333.347 3.815 20 0 EHADRM COc1c(Cl)cccc1NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000737839166 600114069 /nfs/dbraw/zinc/11/40/69/600114069.db2.gz DUCAKKZMKLZLGE-UHFFFAOYSA-N -1 0 346.770 3.595 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)c1cc(-c2ccccc2)no1 ZINC000740291215 600115182 /nfs/dbraw/zinc/11/51/82/600115182.db2.gz SHFYMYPMHKCRKL-UHFFFAOYSA-N -1 0 341.294 3.536 20 0 EHADRM Cc1cc(C)c(OCc2nc(-c3ccc(C(=O)[O-])cc3)no2)c(C)c1 ZINC000738358071 600115901 /nfs/dbraw/zinc/11/59/01/600115901.db2.gz KHFQAFCVDYZUSE-UHFFFAOYSA-N -1 0 338.363 3.939 20 0 EHADRM COc1cccc([C@@H]2C[C@H]2C(=O)Oc2cc(Cl)ccc2C(=O)[O-])c1 ZINC000738096191 600122405 /nfs/dbraw/zinc/12/24/05/600122405.db2.gz NPIQSKPYGLDQCQ-LSDHHAIUSA-N -1 0 346.766 3.756 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C)Oc2ccc(C(C)C)c(C)c2)c(C(=O)[O-])[nH]1 ZINC000738417882 600123582 /nfs/dbraw/zinc/12/35/82/600123582.db2.gz LDJMRDWJKROPOT-CYBMUJFWSA-N -1 0 344.411 3.859 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC000736186906 600123786 /nfs/dbraw/zinc/12/37/86/600123786.db2.gz OLMGKWQRBKRCSG-NSHDSACASA-N -1 0 344.338 3.511 20 0 EHADRM CC(C)=C[C@H]1[C@@H](C(=O)Oc2ccc(C(=O)[O-])cc2C(C)=O)C1(C)C ZINC000736186454 600123821 /nfs/dbraw/zinc/12/38/21/600123821.db2.gz JTIRFDCMVCLQMV-HOCLYGCPSA-N -1 0 330.380 3.731 20 0 EHADRM Cc1c(Cl)c(C(=O)[O-])nn1CN1CCC[C@H](c2ccccc2)CC1 ZINC000738292075 600125774 /nfs/dbraw/zinc/12/57/74/600125774.db2.gz YLXKUNZVKXUISV-HNNXBMFYSA-N -1 0 347.846 3.770 20 0 EHADRM Cc1cc(C)c(NC(=O)CNc2ccc(F)c(NC(=O)[O-])c2)c(C)c1 ZINC000738357206 600127070 /nfs/dbraw/zinc/12/70/70/600127070.db2.gz BEKULDBVYYSWTR-UHFFFAOYSA-N -1 0 345.374 3.891 20 0 EHADRM O=C([O-])c1ccoc1CSc1ccccc1C(=O)OCC(F)F ZINC000740300928 600130258 /nfs/dbraw/zinc/13/02/58/600130258.db2.gz YBSVFASARSIWSA-UHFFFAOYSA-N -1 0 342.319 3.692 20 0 EHADRM CC[C@@](NC(=O)c1sccc1SC)(C(=O)[O-])c1ccccc1 ZINC000736920304 600148266 /nfs/dbraw/zinc/14/82/66/600148266.db2.gz QWVUMSIKSVIRHJ-INIZCTEOSA-N -1 0 335.450 3.590 20 0 EHADRM O=C([O-])CCc1ccc(NC(=S)Nc2ccc(Cl)nc2)cc1 ZINC000738599852 600149473 /nfs/dbraw/zinc/14/94/73/600149473.db2.gz UJDBOJKDUAAVCQ-UHFFFAOYSA-N -1 0 335.816 3.561 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)/C=C\c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000738554671 600156172 /nfs/dbraw/zinc/15/61/72/600156172.db2.gz SPEXCJSQMIPNRW-ACAQERRYSA-N -1 0 343.810 3.646 20 0 EHADRM CC[C@H](C)c1ccccc1OS(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000736890842 600163375 /nfs/dbraw/zinc/16/33/75/600163375.db2.gz ILWOCCDNUCIVDH-ZDUSSCGKSA-N -1 0 348.420 3.807 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)/C=C\c2ccc(Cl)s2)C(=O)[O-])cc1 ZINC000738552993 600164296 /nfs/dbraw/zinc/16/42/96/600164296.db2.gz DOASEQSNNHLFOZ-IUCKJTJTSA-N -1 0 349.839 3.708 20 0 EHADRM COCc1c2ccccc2oc1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000343094172 600167912 /nfs/dbraw/zinc/16/79/12/600167912.db2.gz FBSSRQBDBUWRHL-UHFFFAOYSA-N -1 0 343.310 3.669 20 0 EHADRM CC[C@](NC(=O)c1cc2ccc(C)cc2[nH]1)(C(=O)[O-])c1ccccc1 ZINC000485374625 600170441 /nfs/dbraw/zinc/17/04/41/600170441.db2.gz HPYQHHQGPIOACP-HXUWFJFHSA-N -1 0 336.391 3.596 20 0 EHADRM CC(C)c1cccc(O[C@@H](C(=O)OCC(=O)[O-])c2ccccc2)c1 ZINC000736521234 600174661 /nfs/dbraw/zinc/17/46/61/600174661.db2.gz NLTODGHNGBIROB-GOSISDBHSA-N -1 0 328.364 3.558 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000736762857 600182023 /nfs/dbraw/zinc/18/20/23/600182023.db2.gz SJQMCTWDNLYIIM-TZMCWYRMSA-N -1 0 342.370 3.934 20 0 EHADRM O=C([O-])[C@H]1CN(C(=S)Nc2ccccc2Cl)c2ccccc21 ZINC000739615547 600189421 /nfs/dbraw/zinc/18/94/21/600189421.db2.gz HTWCKDPMHMNETH-NSHDSACASA-N -1 0 332.812 3.725 20 0 EHADRM Cc1ccc2oc(C(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cc2c1 ZINC000237910915 600189524 /nfs/dbraw/zinc/18/95/24/600189524.db2.gz PBHPLFMNVHGGLV-UHFFFAOYSA-N -1 0 340.291 3.600 20 0 EHADRM O=C([O-])c1ccc(NC(=O)/C=C\c2ccc(Cl)s2)c(F)c1 ZINC000214040285 600199933 /nfs/dbraw/zinc/19/99/33/600199933.db2.gz CYWWJTAZRROUEZ-UTCJRWHESA-N -1 0 325.748 3.891 20 0 EHADRM Cc1cc(C(=O)N[C@](C)(C(=O)[O-])C2CC2)c(C)n1C1CCCCC1 ZINC000237764096 600200054 /nfs/dbraw/zinc/20/00/54/600200054.db2.gz GDBXIFJTGQODEI-IBGZPJMESA-N -1 0 332.444 3.593 20 0 EHADRM COc1cccc(CCC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000322734563 600202952 /nfs/dbraw/zinc/20/29/52/600202952.db2.gz WRUNCZQAAGLYBF-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM Cc1nc(-c2ccccc2F)sc1[C@H](C)OC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000738833485 600204366 /nfs/dbraw/zinc/20/43/66/600204366.db2.gz YLXSECAVNUYGDY-DLOVCJGASA-N -1 0 349.383 3.583 20 0 EHADRM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)C1CCCCCC1 ZINC000238111981 600205586 /nfs/dbraw/zinc/20/55/86/600205586.db2.gz HLIDUNGTJGUQAJ-UHFFFAOYSA-N -1 0 339.382 3.739 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000237472297 600207624 /nfs/dbraw/zinc/20/76/24/600207624.db2.gz BCOBPLAKGSCTBT-CQSZACIVSA-N -1 0 341.407 3.899 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NCc2nc(-c3ccccc3)no2)c1 ZINC000740071764 600208063 /nfs/dbraw/zinc/20/80/63/600208063.db2.gz AYXITGGXMCOLKU-UHFFFAOYSA-N -1 0 329.743 3.700 20 0 EHADRM C[C@H](CC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)c1cccc(F)c1 ZINC000237569166 600211548 /nfs/dbraw/zinc/21/15/48/600211548.db2.gz GNWGUIQKIQWZLK-SNVBAGLBSA-N -1 0 341.342 3.533 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)sc1C ZINC000738335661 600211954 /nfs/dbraw/zinc/21/19/54/600211954.db2.gz OTQLEQGUVKNWMZ-UHFFFAOYSA-N -1 0 341.335 3.917 20 0 EHADRM O=C([O-])c1ccc(NC(=O)/C=C\c2cccs2)c(OC(F)F)c1 ZINC000739216526 600214247 /nfs/dbraw/zinc/21/42/47/600214247.db2.gz SSVSUKULCYNQGV-XQRVVYSFSA-N -1 0 339.319 3.700 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000192942271 600217253 /nfs/dbraw/zinc/21/72/53/600217253.db2.gz BFQLYPRFJLRDDR-OAHLLOKOSA-N -1 0 335.359 3.878 20 0 EHADRM O=C([O-])c1coc(CN2CCSC[C@H]2c2ccc(Cl)cc2)c1 ZINC000740268366 600218760 /nfs/dbraw/zinc/21/87/60/600218760.db2.gz RZOFFJBXCURTFE-HNNXBMFYSA-N -1 0 337.828 3.921 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)c2ccccc21 ZINC000192948138 600218931 /nfs/dbraw/zinc/21/89/31/600218931.db2.gz BROSXIJRUAPTJB-BZUAXINKSA-N -1 0 341.794 3.659 20 0 EHADRM CCCOc1ccccc1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000737034412 600230636 /nfs/dbraw/zinc/23/06/36/600230636.db2.gz JSGKSDZJYMOJOB-UHFFFAOYSA-N -1 0 332.331 3.957 20 0 EHADRM CCCc1ccc(S(=O)(=O)N(CC)c2ccccc2C(=O)[O-])cc1 ZINC000737051809 600244504 /nfs/dbraw/zinc/24/45/04/600244504.db2.gz ZPSIYYSCSKLSGV-UHFFFAOYSA-N -1 0 347.436 3.553 20 0 EHADRM CCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1c(C)cc(C)cc1C ZINC000737108921 600245074 /nfs/dbraw/zinc/24/50/74/600245074.db2.gz PPUSYAAXRUOUGF-UHFFFAOYSA-N -1 0 347.436 3.525 20 0 EHADRM O=C([O-])c1ccc(-c2noc(/C=C\c3cnc4ccccc4n3)n2)cc1 ZINC000740101635 600246590 /nfs/dbraw/zinc/24/65/90/600246590.db2.gz PTPXIMHRTNCZBQ-KTKRTIGZSA-N -1 0 344.330 3.548 20 0 EHADRM Cc1ccc(N2CCCC2)c(C(=O)Oc2cccc(C(=O)[O-])c2)c1 ZINC000738615137 600248998 /nfs/dbraw/zinc/24/89/98/600248998.db2.gz KBKRZQKKVUSVAM-UHFFFAOYSA-N -1 0 325.364 3.513 20 0 EHADRM Cc1ccc(N2CCCC2)c(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000237872834 600250051 /nfs/dbraw/zinc/25/00/51/600250051.db2.gz SLBCEQVMDBLNRI-UHFFFAOYSA-N -1 0 338.407 3.854 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)CCc2cc(Cl)cs2)c2ccccc21 ZINC000192956944 600251479 /nfs/dbraw/zinc/25/14/79/600251479.db2.gz RBJWPONCRIUTCM-ZDUSSCGKSA-N -1 0 335.812 3.549 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC000738194550 600252544 /nfs/dbraw/zinc/25/25/44/600252544.db2.gz DANYCBGNRARULT-UHFFFAOYSA-N -1 0 344.392 3.883 20 0 EHADRM Cc1c(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)sc2cccc(F)c12 ZINC000262505228 600267935 /nfs/dbraw/zinc/26/79/35/600267935.db2.gz ZIPONHFDRUKDOT-LLVKDONJSA-N -1 0 347.411 3.676 20 0 EHADRM CC(C)(NC(=O)Nc1ccc(OCCC(=O)[O-])cc1)c1cccs1 ZINC000736323682 600269788 /nfs/dbraw/zinc/26/97/88/600269788.db2.gz HAOTWYXYDFOMGY-UHFFFAOYSA-N -1 0 348.424 3.658 20 0 EHADRM CC[C@@H](C)N(Cc1ccccc1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263351842 600270609 /nfs/dbraw/zinc/27/06/09/600270609.db2.gz PZEOFEMCOACOEP-ODIFPOPNSA-N -1 0 332.444 3.640 20 0 EHADRM O=C([O-])c1ccc2nc(SCC(=O)c3ccc(F)c(F)c3)oc2c1 ZINC000740212409 600277892 /nfs/dbraw/zinc/27/78/92/600277892.db2.gz LFUQTLGPKGIAHT-UHFFFAOYSA-N -1 0 349.314 3.779 20 0 EHADRM CNC(=O)c1cccc(CNc2cc3ccccc3cc2C(=O)[O-])c1 ZINC000737550829 600284262 /nfs/dbraw/zinc/28/42/62/600284262.db2.gz PEOWDSGNHINVOY-UHFFFAOYSA-N -1 0 334.375 3.510 20 0 EHADRM Cc1ccccc1C1(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)CC1 ZINC000738761784 600285325 /nfs/dbraw/zinc/28/53/25/600285325.db2.gz VGQLIZXRCSRIMX-UHFFFAOYSA-N -1 0 338.407 3.775 20 0 EHADRM C[C@H](NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1cccc(O)c1 ZINC000736645422 600285470 /nfs/dbraw/zinc/28/54/70/600285470.db2.gz FBIABMHKECQCED-VIFPVBQESA-N -1 0 334.759 3.627 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736625304 600286297 /nfs/dbraw/zinc/28/62/97/600286297.db2.gz GEVMNLBZKTVQCC-CQSZACIVSA-N -1 0 326.396 3.614 20 0 EHADRM CN(Cc1cccc(C#N)c1)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000325539139 600287500 /nfs/dbraw/zinc/28/75/00/600287500.db2.gz SONQGPLQVJVFAA-UHFFFAOYSA-N -1 0 343.770 3.574 20 0 EHADRM CN(Cc1ccc(NC(=O)c2ccc(-n3cccc3)cc2)cc1)C(=O)[O-] ZINC000737485435 600288137 /nfs/dbraw/zinc/28/81/37/600288137.db2.gz NRLNTQXIQWBULZ-UHFFFAOYSA-N -1 0 349.390 3.839 20 0 EHADRM CN(C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)C1Cc2ccccc2C1 ZINC000737327558 600288249 /nfs/dbraw/zinc/28/82/49/600288249.db2.gz OSYFDUSIJOLRGM-UHFFFAOYSA-N -1 0 344.798 3.669 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)/C=C\c2ccc3ccccc3n2)cc1 ZINC000739986083 600290085 /nfs/dbraw/zinc/29/00/85/600290085.db2.gz MBZCCTLNUCUAFR-QXMHVHEDSA-N -1 0 347.374 3.654 20 0 EHADRM Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)NCCCC(=O)[O-] ZINC000263207490 600292881 /nfs/dbraw/zinc/29/28/81/600292881.db2.gz IGRKFOZYSDCXKS-HNNXBMFYSA-N -1 0 346.452 3.504 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)C[C@H]2CCCc3ccccc32)cc1 ZINC000739987223 600295547 /nfs/dbraw/zinc/29/55/47/600295547.db2.gz WVSAFPPTIAAGBF-MRXNPFEDSA-N -1 0 338.407 3.903 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)c2[nH]c3ccccc3c2Cl)cc1 ZINC000739991622 600308390 /nfs/dbraw/zinc/30/83/90/600308390.db2.gz KQXLODMKVHZDLQ-UHFFFAOYSA-N -1 0 343.770 3.841 20 0 EHADRM O=C([O-])NCc1ccc(NCc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000740001042 600316699 /nfs/dbraw/zinc/31/66/99/600316699.db2.gz NCJHEDZKMCFHAQ-UHFFFAOYSA-N -1 0 346.255 3.762 20 0 EHADRM O=C([O-])[C@@H](OC(=O)CCCOc1ccccc1)c1cccc(Cl)c1 ZINC000739236806 600320538 /nfs/dbraw/zinc/32/05/38/600320538.db2.gz SWASUHMKZXSJBX-KRWDZBQOSA-N -1 0 348.782 3.868 20 0 EHADRM C[C@@H](OCc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000736701470 600325139 /nfs/dbraw/zinc/32/51/39/600325139.db2.gz VNFDTAGFCGNOGD-MLGOLLRUSA-N -1 0 348.782 3.614 20 0 EHADRM CC[C@@H]1CN(Cc2c(C(=O)[O-])sc3cccc(F)c32)C[C@H](C)O1 ZINC000736945284 600332014 /nfs/dbraw/zinc/33/20/14/600332014.db2.gz VYIIAFMVIIZXNW-WDEREUQCSA-N -1 0 337.416 3.738 20 0 EHADRM CCc1cccc(C)c1NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737267345 600334125 /nfs/dbraw/zinc/33/41/25/600334125.db2.gz OPDPUEKYYJWSMP-UHFFFAOYSA-N -1 0 327.384 3.969 20 0 EHADRM CN(Cc1ccc(NC(=O)N[C@@H]2CCCc3occc32)cc1)C(=O)[O-] ZINC000737484192 600345457 /nfs/dbraw/zinc/34/54/57/600345457.db2.gz VIPPZSROQRGYEW-OAHLLOKOSA-N -1 0 343.383 3.589 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)o1 ZINC000738551480 600348631 /nfs/dbraw/zinc/34/86/31/600348631.db2.gz KFDNZNJORMIBIH-LBPRGKRZSA-N -1 0 331.372 3.581 20 0 EHADRM CN(Cc1ccccc1Cl)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737491912 600349328 /nfs/dbraw/zinc/34/93/28/600349328.db2.gz MAVVPHSRKLMTJI-UHFFFAOYSA-N -1 0 347.802 3.772 20 0 EHADRM CCCC[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736984896 600351095 /nfs/dbraw/zinc/35/10/95/600351095.db2.gz LOUHEUZFLZFSIM-GDBMZVCRSA-N -1 0 333.432 3.935 20 0 EHADRM CCCC[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736984906 600351302 /nfs/dbraw/zinc/35/13/02/600351302.db2.gz LOUHEUZFLZFSIM-ZBFHGGJFSA-N -1 0 333.432 3.935 20 0 EHADRM Cc1cc(CSCc2noc(CCCC(=O)[O-])n2)c(C)s1 ZINC000738395271 600351970 /nfs/dbraw/zinc/35/19/70/600351970.db2.gz QMWOYTUKPDBEIA-UHFFFAOYSA-N -1 0 326.443 3.589 20 0 EHADRM CC(C)N(Cc1ccccc1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736471692 600356313 /nfs/dbraw/zinc/35/63/13/600356313.db2.gz MKEAPTOGCRNGJN-UHFFFAOYSA-N -1 0 341.411 3.897 20 0 EHADRM CN(C(=O)Nc1ccc(CNC(=O)[O-])cc1)[C@H]1CCc2ccccc21 ZINC000737330823 600357643 /nfs/dbraw/zinc/35/76/43/600357643.db2.gz UIMADJZWEXQXQM-KRWDZBQOSA-N -1 0 339.395 3.605 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)Oc2ccc(CC(=O)[O-])cc2)cc1 ZINC000737255987 600367354 /nfs/dbraw/zinc/36/73/54/600367354.db2.gz DTELLBKXPXJSJN-CQSZACIVSA-N -1 0 326.392 3.975 20 0 EHADRM Cc1cc(NC(=O)CCCOc2ccccc2F)sc1C(=O)[O-] ZINC000738421853 600370825 /nfs/dbraw/zinc/37/08/25/600370825.db2.gz SVLKWXPWTUTLRI-UHFFFAOYSA-N -1 0 337.372 3.692 20 0 EHADRM Cc1cc(NC(=O)c2cc(-c3cccc(F)c3)no2)sc1C(=O)[O-] ZINC000738444297 600371181 /nfs/dbraw/zinc/37/11/81/600371181.db2.gz MSNRGIBZTSLIBA-UHFFFAOYSA-N -1 0 346.339 3.801 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)[C@@H](C)c1cccs1 ZINC000737870091 600374220 /nfs/dbraw/zinc/37/42/20/600374220.db2.gz CPHUCWXJUWWOEV-JYKYSHPRSA-N -1 0 332.377 3.564 20 0 EHADRM CCC[C@@](C)(NC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000236960527 600374642 /nfs/dbraw/zinc/37/46/42/600374642.db2.gz JFKCCAHXBYIHSA-MEDUHNTESA-N -1 0 345.361 3.644 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)CC/C=C\c2ccccc2)cc1 ZINC000499183762 600375375 /nfs/dbraw/zinc/37/53/75/600375375.db2.gz CQTQRVVEYHADQX-YWEYNIOJSA-N -1 0 325.364 3.582 20 0 EHADRM CC[C@H](CC(=O)N[C@@H](C(=O)[O-])c1ccccc1)c1ccc(C)cc1 ZINC000236933050 600376370 /nfs/dbraw/zinc/37/63/70/600376370.db2.gz CTIHCSVPGXUKLP-DNVCBOLYSA-N -1 0 325.408 3.821 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)[C@@H](C)c1ccsc1)C(=O)[O-] ZINC000362527367 600377299 /nfs/dbraw/zinc/37/72/99/600377299.db2.gz AIKPRRMUZSFMOC-KGLIPLIRSA-N -1 0 331.437 3.601 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000236952478 600377337 /nfs/dbraw/zinc/37/73/37/600377337.db2.gz VPGUMSHMZWZGKX-LIRRHRJNSA-N -1 0 325.408 3.685 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)COc1ccc(Cl)cc1)c1ccccc1 ZINC000736853966 600379029 /nfs/dbraw/zinc/37/90/29/600379029.db2.gz WHPIUTZPAKYLFP-MRXNPFEDSA-N -1 0 347.798 3.615 20 0 EHADRM CCc1ccc(OCC(=O)N(c2ccccc2)[C@@H](CC)C(=O)[O-])cc1 ZINC000737267769 600379615 /nfs/dbraw/zinc/37/96/15/600379615.db2.gz IULLXUFWWYGRMR-SFHVURJKSA-N -1 0 341.407 3.524 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N(CC(=O)[O-])c2ccccc2)cc1 ZINC000737256293 600380036 /nfs/dbraw/zinc/38/00/36/600380036.db2.gz GFQGOKMDLCFENJ-OAHLLOKOSA-N -1 0 325.408 3.860 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)Cc1ccccc1Cl)c1ccccc1 ZINC000736852736 600380448 /nfs/dbraw/zinc/38/04/48/600380448.db2.gz PSDLCTNDMUWHGO-INIZCTEOSA-N -1 0 331.799 3.779 20 0 EHADRM Cc1ccccc1SCC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000738786754 600381699 /nfs/dbraw/zinc/38/16/99/600381699.db2.gz ZERLIVXWJROUMQ-UHFFFAOYSA-N -1 0 344.436 3.536 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)c1ccc(OC2CCCCC2)cc1 ZINC000236753873 600382596 /nfs/dbraw/zinc/38/25/96/600382596.db2.gz ZFTKGMBIDGBBHN-UHFFFAOYSA-N -1 0 347.455 3.971 20 0 EHADRM CC(C)=C[C@H]1[C@@H](C(=O)NCCc2ccc(NC(=O)[O-])cc2)C1(C)C ZINC000736344241 600382864 /nfs/dbraw/zinc/38/28/64/600382864.db2.gz XBGQCLGXEOXTBB-HOTGVXAUSA-N -1 0 330.428 3.674 20 0 EHADRM CC(C)Oc1ccccc1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736495332 600383721 /nfs/dbraw/zinc/38/37/21/600383721.db2.gz XENAVYNYZAKVKW-UHFFFAOYSA-N -1 0 342.395 3.536 20 0 EHADRM Cc1ccc(SCC(=O)NCCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738668240 600384166 /nfs/dbraw/zinc/38/41/66/600384166.db2.gz RSDAZUIPDNQUOW-UHFFFAOYSA-N -1 0 344.436 3.536 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)NC(C)(C)CCC(=O)[O-] ZINC000237388074 600384453 /nfs/dbraw/zinc/38/44/53/600384453.db2.gz AGBWNJGMOBUTDP-SNVBAGLBSA-N -1 0 329.849 3.580 20 0 EHADRM CCOc1cccc([C@@H](C)NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC000737211940 600385234 /nfs/dbraw/zinc/38/52/34/600385234.db2.gz YJTNLRQPIXYPDT-LLVKDONJSA-N -1 0 346.358 3.805 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)/C=C/c1ccccc1F)c1ccccc1 ZINC000736846968 600385372 /nfs/dbraw/zinc/38/53/72/600385372.db2.gz JSBKIIZVJYIQNW-GZKZCVOOSA-N -1 0 327.355 3.735 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CC[C@H](c3ccccc3F)C2)ccc1F ZINC000740082058 600386019 /nfs/dbraw/zinc/38/60/19/600386019.db2.gz UJVWETFEQFXAEK-NSHDSACASA-N -1 0 346.333 3.684 20 0 EHADRM CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000736905450 600387704 /nfs/dbraw/zinc/38/77/04/600387704.db2.gz HHEFDRADXBHVRU-ZDUSSCGKSA-N -1 0 330.359 3.667 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)ccc1F ZINC000740082039 600388057 /nfs/dbraw/zinc/38/80/57/600388057.db2.gz UGWJTWIYEHAFLP-KCXRBIIJSA-N -1 0 332.375 3.566 20 0 EHADRM Cc1ccc([C@@H](C)CNC(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000237540885 600389417 /nfs/dbraw/zinc/38/94/17/600389417.db2.gz AWQYXOVVTNNYMJ-HNNXBMFYSA-N -1 0 325.408 3.546 20 0 EHADRM CCc1ccc([C@@H]2CCCN2C(=O)c2cccc(NC(=O)[O-])c2)o1 ZINC000737259626 600390239 /nfs/dbraw/zinc/39/02/39/600390239.db2.gz VUZNXLRAMMMXPH-HNNXBMFYSA-N -1 0 328.368 3.909 20 0 EHADRM CC(C)SCC(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000538505544 600392585 /nfs/dbraw/zinc/39/25/85/600392585.db2.gz AHWQTAPPYPHWOY-OAHLLOKOSA-N -1 0 337.485 3.758 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)NC[C@@H]2CCc3ccccc32)cc1 ZINC000737333476 600392667 /nfs/dbraw/zinc/39/26/67/600392667.db2.gz VJDIHELDOTZGAK-AWEZNQCLSA-N -1 0 339.395 3.652 20 0 EHADRM O=C([O-])[C@@H](c1ccccc1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000566509424 600397093 /nfs/dbraw/zinc/39/70/93/600397093.db2.gz FCBZAUJYEDWERR-DLBZAZTESA-N -1 0 331.799 3.539 20 0 EHADRM O=C([O-])[C@H](c1ccccc1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000570583335 600397142 /nfs/dbraw/zinc/39/71/42/600397142.db2.gz FCBZAUJYEDWERR-SJORKVTESA-N -1 0 331.799 3.539 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@@H]2CCc3c2cccc3Cl)c(F)c1 ZINC000739466770 600401690 /nfs/dbraw/zinc/40/16/90/600401690.db2.gz JTQMMHWSRPUWTK-CQSZACIVSA-N -1 0 348.761 3.986 20 0 EHADRM CCN(CCc1cccs1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000737101990 600402065 /nfs/dbraw/zinc/40/20/65/600402065.db2.gz OTPHNKQODQTRDF-UHFFFAOYSA-N -1 0 336.388 3.682 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)Nc2ccc(C(=O)[O-])cc2F)o1 ZINC000736767249 600403628 /nfs/dbraw/zinc/40/36/28/600403628.db2.gz YPQQFIPMRNWBJL-SKDRFNHKSA-N -1 0 332.331 3.562 20 0 EHADRM CCCN(CC1CC1)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000737019090 600408236 /nfs/dbraw/zinc/40/82/36/600408236.db2.gz BGRJOIPGFKGFLU-UHFFFAOYSA-N -1 0 342.342 3.640 20 0 EHADRM CC(C)(C)c1ccc2cc(C(=O)NC(C)(C)CCC(=O)[O-])[nH]c2c1 ZINC000485596521 600415825 /nfs/dbraw/zinc/41/58/25/600415825.db2.gz BPBWYRNPJPQHOL-UHFFFAOYSA-N -1 0 330.428 3.839 20 0 EHADRM CCOc1ccc(N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1OCC ZINC000737203961 600417383 /nfs/dbraw/zinc/41/73/83/600417383.db2.gz UDEWYQPQYBZKPU-KRWDZBQOSA-N -1 0 333.359 3.861 20 0 EHADRM O=C([O-])[C@@H](Nc1ccc(N2CCCC2=O)cc1)c1cccc(Cl)c1 ZINC000739513343 600417852 /nfs/dbraw/zinc/41/78/52/600417852.db2.gz SIIAQHRKKWFNCP-KRWDZBQOSA-N -1 0 344.798 3.705 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000736930120 600421730 /nfs/dbraw/zinc/42/17/30/600421730.db2.gz WLDGREZWUKIFFW-MRXNPFEDSA-N -1 0 330.405 3.790 20 0 EHADRM COC(=O)[C@H](Nc1cccc(NC(=O)[O-])c1)c1cccc(Cl)c1 ZINC000737577892 600425621 /nfs/dbraw/zinc/42/56/21/600425621.db2.gz LPVHTAVCAGSISG-CQSZACIVSA-N -1 0 334.759 3.756 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1Oc1ncnc2cccc(F)c21 ZINC000737880392 600430966 /nfs/dbraw/zinc/43/09/66/600430966.db2.gz ZCDFWWMANYMFRC-VURMDHGXSA-N -1 0 340.310 3.668 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccc(Cl)cc1F)c1ccc(F)cc1 ZINC000740292958 600446719 /nfs/dbraw/zinc/44/67/19/600446719.db2.gz SPTMWFHQJJCDOY-CYBMUJFWSA-N -1 0 326.682 3.601 20 0 EHADRM Cc1cc(C)cc(OCCC(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000738363318 600449403 /nfs/dbraw/zinc/44/94/03/600449403.db2.gz FIUCRBNODNRCGS-GOSISDBHSA-N -1 0 346.354 3.581 20 0 EHADRM Cc1ccc(CC(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])cn1 ZINC000738268577 600451149 /nfs/dbraw/zinc/45/11/49/600451149.db2.gz JKJPVWMIGNAVLT-UHFFFAOYSA-N -1 0 332.425 3.628 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)CCc2nccs2)s1 ZINC000736295107 600451552 /nfs/dbraw/zinc/45/15/52/600451552.db2.gz UAUQPJCVYYDELM-UHFFFAOYSA-N -1 0 338.454 3.772 20 0 EHADRM Cc1ccc(CCCC(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000738589665 600452005 /nfs/dbraw/zinc/45/20/05/600452005.db2.gz TVTSLEOCSPEEFR-GOSISDBHSA-N -1 0 330.355 3.826 20 0 EHADRM CC[C@H](SCc1noc(CCC(=O)[O-])n1)c1ccc(F)cc1F ZINC000736928401 600453179 /nfs/dbraw/zinc/45/31/79/600453179.db2.gz IFJKFMXCEZSREE-LBPRGKRZSA-N -1 0 342.367 3.750 20 0 EHADRM C[C@H](CC(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1F ZINC000736555215 600454588 /nfs/dbraw/zinc/45/45/88/600454588.db2.gz CQBSGTFYUCWTTQ-PIGZYNQJSA-N -1 0 334.318 3.828 20 0 EHADRM CN(C(=O)Nc1cccc(NC(=O)[O-])c1)[C@@H]1CCc2ccccc2C1 ZINC000737327870 600455508 /nfs/dbraw/zinc/45/55/08/600455508.db2.gz BQMWOGFNPPICFX-QGZVFWFLSA-N -1 0 339.395 3.798 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736904642 600456411 /nfs/dbraw/zinc/45/64/11/600456411.db2.gz VYNHIPUVDLTEIU-RHSMWYFYSA-N -1 0 330.355 3.764 20 0 EHADRM C[C@@H](OC(=O)C[C@@H]1CCOc2ccccc21)c1ccc(C(=O)[O-])o1 ZINC000736684158 600457091 /nfs/dbraw/zinc/45/70/91/600457091.db2.gz LPXMETVIGPTRPK-NEPJUHHUSA-N -1 0 330.336 3.538 20 0 EHADRM CC(C)[C@H](NC(=O)c1ccc(Oc2ccc(F)cc2F)cc1)C(=O)[O-] ZINC000236771893 600459319 /nfs/dbraw/zinc/45/93/19/600459319.db2.gz NXXMYALLMZFSGV-INIZCTEOSA-N -1 0 349.333 3.596 20 0 EHADRM CC(C)C[C@@H]1CCCN1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736427574 600460906 /nfs/dbraw/zinc/46/09/06/600460906.db2.gz UXOKMZAFGQLFLM-INIZCTEOSA-N -1 0 333.432 3.539 20 0 EHADRM O=C([O-])c1ccc(CNC(=S)Nc2ccc3ccccc3c2)o1 ZINC000740130723 600467909 /nfs/dbraw/zinc/46/79/09/600467909.db2.gz JGWVXCKVSRBFPL-UHFFFAOYSA-N -1 0 326.377 3.618 20 0 EHADRM C[C@H]1CCCC[C@@H]1NC(=S)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000736782934 600473639 /nfs/dbraw/zinc/47/36/39/600473639.db2.gz DXTBQRDUNHIBKF-ZANVPECISA-N -1 0 326.849 3.903 20 0 EHADRM Cc1c(C(=O)NCc2ccc(C(=O)[O-])o2)oc2c1c(C)ccc2C ZINC000347438737 600474529 /nfs/dbraw/zinc/47/45/29/600474529.db2.gz ZMXOCBRGHOHYAY-UHFFFAOYSA-N -1 0 327.336 3.579 20 0 EHADRM C[C@@H]1c2c(F)cccc2CCN1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000736836553 600475501 /nfs/dbraw/zinc/47/55/01/600475501.db2.gz JDWKSOFBYBRHIG-SNVBAGLBSA-N -1 0 346.333 3.814 20 0 EHADRM COc1ccc(CCC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000237196711 600479080 /nfs/dbraw/zinc/47/90/80/600479080.db2.gz BDBBTAROUJVHRX-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM C[C@@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000736837969 600479067 /nfs/dbraw/zinc/47/90/67/600479067.db2.gz QAPWNQHQGIBMJA-GFCCVEGCSA-N -1 0 342.370 3.604 20 0 EHADRM CC(C)c1nc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)cs1 ZINC000236834633 600481545 /nfs/dbraw/zinc/48/15/45/600481545.db2.gz GTABJOBBMSDLAK-UHFFFAOYSA-N -1 0 348.424 3.762 20 0 EHADRM CC[C@H](c1ccncc1)N(C)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000736930038 600481682 /nfs/dbraw/zinc/48/16/82/600481682.db2.gz TWRRFMWPKPORHQ-OAHLLOKOSA-N -1 0 331.347 3.534 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)c2ccc3[nH]ccc3c2)cc1 ZINC000238026376 600482199 /nfs/dbraw/zinc/48/21/99/600482199.db2.gz ULLCMRVYOFXVJY-UHFFFAOYSA-N -1 0 338.363 3.664 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)c2csc(C3CC3)n2)cc1 ZINC000181875695 600482396 /nfs/dbraw/zinc/48/23/96/600482396.db2.gz DXTWXTGRVLBWJO-UHFFFAOYSA-N -1 0 346.408 3.516 20 0 EHADRM CCc1[nH]c(C(=O)N[C@H](c2ccccc2C)C2CC2)c(C)c1C(=O)[O-] ZINC000737242833 600484489 /nfs/dbraw/zinc/48/44/89/600484489.db2.gz WGYZEEQLWRFFNE-SFHVURJKSA-N -1 0 340.423 3.773 20 0 EHADRM CCN(C)[C@H](C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000737069509 600486795 /nfs/dbraw/zinc/48/67/95/600486795.db2.gz XKLJFSMSYBDREH-INIZCTEOSA-N -1 0 346.814 3.670 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)C(=O)c1ccccc1 ZINC000736549051 600489706 /nfs/dbraw/zinc/48/97/06/600489706.db2.gz RIRQJDCLPRFMNH-LLVKDONJSA-N -1 0 345.782 3.886 20 0 EHADRM Cc1ccc2oc(N3CCc4[nH]c5ccc(C(=O)[O-])cc5c4C3)nc2c1 ZINC000738679833 600502490 /nfs/dbraw/zinc/50/24/90/600502490.db2.gz BRQRDPKYTHKRQG-UHFFFAOYSA-N -1 0 347.374 3.878 20 0 EHADRM CC(C)(NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1nccs1 ZINC000318975582 600510292 /nfs/dbraw/zinc/51/02/92/600510292.db2.gz IAOALQDJTBZYIH-UHFFFAOYSA-N -1 0 339.804 3.552 20 0 EHADRM CC(C)CO[C@H]1C[C@H](OC(=O)c2ccc(NC(=O)[O-])cc2)C1(C)C ZINC000736445181 600511533 /nfs/dbraw/zinc/51/15/33/600511533.db2.gz ZEJZRTNIJJADQV-GJZGRUSLSA-N -1 0 335.400 3.773 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCc3ccccc3C2)cc1Cl ZINC000320537414 600514402 /nfs/dbraw/zinc/51/44/02/600514402.db2.gz QMRVAIZTALXGPT-UHFFFAOYSA-N -1 0 330.771 3.628 20 0 EHADRM O=C([O-])c1ccc(Cl)cc1OC(=O)[C@@H]1CSc2ccccc21 ZINC000740133856 600519206 /nfs/dbraw/zinc/51/92/06/600519206.db2.gz GDJABPLVSLCVJS-GFCCVEGCSA-N -1 0 334.780 3.833 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000236715955 600520368 /nfs/dbraw/zinc/52/03/68/600520368.db2.gz OAZWSQMJYYJJLV-GOSISDBHSA-N -1 0 325.408 3.516 20 0 EHADRM Cc1csc(-c2cccc(C(=O)NCCCCCCC(=O)[O-])c2)n1 ZINC000237820258 600522486 /nfs/dbraw/zinc/52/24/86/600522486.db2.gz NGIGDWTVWZMYSL-UHFFFAOYSA-N -1 0 346.452 3.883 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000094554686 600524829 /nfs/dbraw/zinc/52/48/29/600524829.db2.gz ZNRHYQHVVHXRTC-UHFFFAOYSA-N -1 0 329.139 3.606 20 0 EHADRM CS[C@@H](C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)c1ccccc1 ZINC000738181708 600528056 /nfs/dbraw/zinc/52/80/56/600528056.db2.gz NZYSLSOEUVSKIL-MRXNPFEDSA-N -1 0 344.436 3.839 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)NCc1ccc(C(=O)[O-])o1 ZINC000738285499 600530076 /nfs/dbraw/zinc/53/00/76/600530076.db2.gz FKMRHSCTUVPOOZ-NSHDSACASA-N -1 0 342.351 3.593 20 0 EHADRM Cc1sc(NC(=O)CO[C@H]2CCC[C@@H](C)C2)c(C(=O)[O-])c1C ZINC000738997284 600532656 /nfs/dbraw/zinc/53/26/56/600532656.db2.gz MQJCIRKDQMOTNW-SKDRFNHKSA-N -1 0 325.430 3.597 20 0 EHADRM CC(C)C[C@@H](NC(=O)NCc1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000736413920 600533267 /nfs/dbraw/zinc/53/32/67/600533267.db2.gz DYFAAIYGSLRLFR-OAHLLOKOSA-N -1 0 330.384 3.564 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)N[C@H](C(=O)[O-])C(C)(C)C)ccc1C(C)C ZINC000738465202 600533526 /nfs/dbraw/zinc/53/35/26/600533526.db2.gz SRSDDENGSARKQW-CZUORRHYSA-N -1 0 335.444 3.501 20 0 EHADRM COc1ccccc1CC(C)(C)C(=O)OCc1cc(C)c(C(=O)[O-])o1 ZINC000738124598 600546479 /nfs/dbraw/zinc/54/64/79/600546479.db2.gz SOIKQKBEXBCCFW-UHFFFAOYSA-N -1 0 346.379 3.607 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000736928392 600551074 /nfs/dbraw/zinc/55/10/74/600551074.db2.gz IBJMICXIJBXNEW-GFCCVEGCSA-N -1 0 337.441 3.611 20 0 EHADRM O=C([O-])C1CCN(C(=O)Nc2ccc3oc4ccccc4c3c2)CC1 ZINC000577085758 600555644 /nfs/dbraw/zinc/55/56/44/600555644.db2.gz WYNJWPQADDSXFQ-UHFFFAOYSA-N -1 0 338.363 3.915 20 0 EHADRM CC(C)Nc1ncccc1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000736483870 600564346 /nfs/dbraw/zinc/56/43/46/600564346.db2.gz PCMQYFGZGNEUOE-UHFFFAOYSA-N -1 0 333.775 3.506 20 0 EHADRM Cc1cc(N2CCCC2)ccc1NC(=O)c1ccccc1NC(=O)[O-] ZINC000738407384 600566348 /nfs/dbraw/zinc/56/63/48/600566348.db2.gz FROLGWKSNFFYOI-UHFFFAOYSA-N -1 0 339.395 3.937 20 0 EHADRM CC[C@@H](C)N(Cc1ccccc1)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC000395732454 600568481 /nfs/dbraw/zinc/56/84/81/600568481.db2.gz ZPTXVJPRVHYZGA-CYBMUJFWSA-N -1 0 329.400 3.854 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)NCCCc1cccc(Cl)c1 ZINC000740044808 600575521 /nfs/dbraw/zinc/57/55/21/600575521.db2.gz BVNLNOVYYBLITD-UHFFFAOYSA-N -1 0 332.787 3.793 20 0 EHADRM CC(C)[C@@H](S[C@@H](C)CC(=O)[O-])C(=O)Nc1cccc2ncccc21 ZINC000736549879 600583606 /nfs/dbraw/zinc/58/36/06/600583606.db2.gz LRAPPHSWZDKYBJ-YVEFUNNKSA-N -1 0 346.452 3.794 20 0 EHADRM C[C@@H](CC(=O)[O-])S[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000736549351 600583644 /nfs/dbraw/zinc/58/36/44/600583644.db2.gz JTDPDJHSBIDSTR-KSSFIOAISA-N -1 0 343.448 3.641 20 0 EHADRM C[C@@H](CC(=O)[O-])SCC(=O)N(c1ccccc1)C1CCCCC1 ZINC000736553800 600584410 /nfs/dbraw/zinc/58/44/10/600584410.db2.gz VFXPLFCTDLEAEY-AWEZNQCLSA-N -1 0 335.469 3.949 20 0 EHADRM C[C@H](CC(=O)[O-])SCC(=O)Nc1ccccc1-c1ccccc1 ZINC000736553140 600587590 /nfs/dbraw/zinc/58/75/90/600587590.db2.gz TXFFQSSAXZUEBM-CYBMUJFWSA-N -1 0 329.421 3.889 20 0 EHADRM Cc1cc(/C=C/C(=O)N(C)C[C@@H](C)C(=O)[O-])c(C)n1C1CCCCC1 ZINC000237568775 600594374 /nfs/dbraw/zinc/59/43/74/600594374.db2.gz XZNCTFHLFQTBBL-PLSXKVAHSA-N -1 0 346.471 3.802 20 0 EHADRM CN(C(=O)c1ccc(C(C)(C)C)cc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737337139 600594671 /nfs/dbraw/zinc/59/46/71/600594671.db2.gz VVIAYHXJSONEGS-QGZVFWFLSA-N -1 0 325.408 3.882 20 0 EHADRM CCC/C(C)=C\C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000736960499 600597486 /nfs/dbraw/zinc/59/74/86/600597486.db2.gz VYPZYFHENQDITR-NZHZHZHDSA-N -1 0 339.435 3.946 20 0 EHADRM C[C@@H](CSCc1nnc(-c2ccc(Cl)cc2Cl)o1)C(=O)[O-] ZINC000736618342 600599872 /nfs/dbraw/zinc/59/98/72/600599872.db2.gz NUBWJKGYKFOSJK-ZETCQYMHSA-N -1 0 347.223 3.997 20 0 EHADRM CN(C(=O)c1cc(Cl)ccc1Cl)[C@H](C(=O)[O-])c1ccccc1 ZINC000737333841 600600943 /nfs/dbraw/zinc/60/09/43/600600943.db2.gz PCYHGYNMMVMLLZ-AWEZNQCLSA-N -1 0 338.190 3.891 20 0 EHADRM C[C@H](CS[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)C(=O)[O-] ZINC000736607017 600601015 /nfs/dbraw/zinc/60/10/15/600601015.db2.gz LKPBSBHFQZWLKP-MLGOLLRUSA-N -1 0 347.411 3.959 20 0 EHADRM Cc1cccc(C(=O)NC[C@@H](Cc2cccc3ccccc32)C(=O)[O-])c1 ZINC000486403358 600602845 /nfs/dbraw/zinc/60/28/45/600602845.db2.gz ZGRNVJPCHZDYCM-LJQANCHMSA-N -1 0 347.414 3.822 20 0 EHADRM C[C@H](C(=O)Oc1ccc(C(=O)[O-])cc1Br)C(C)(C)C ZINC000736222974 600608755 /nfs/dbraw/zinc/60/87/55/600608755.db2.gz ICGJAVNFZGYSNJ-MRVPVSSYSA-N -1 0 329.190 3.735 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N2CCCC[C@H]2c2nccs2)cc1 ZINC000740124444 600616930 /nfs/dbraw/zinc/61/69/30/600616930.db2.gz ZAXVAFQGWYASGS-HNNXBMFYSA-N -1 0 344.436 3.528 20 0 EHADRM Cc1cc(C)cc(OCC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000322628486 600620663 /nfs/dbraw/zinc/62/06/63/600620663.db2.gz UTWSQVVJWGDONK-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM CCO[C@@H](C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1ccccc1 ZINC000181867676 600620859 /nfs/dbraw/zinc/62/08/59/600620859.db2.gz FDBCYEBZMRHJME-OAHLLOKOSA-N -1 0 333.771 3.755 20 0 EHADRM Cc1ccc(N(C)C(=O)CCc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000237059195 600622498 /nfs/dbraw/zinc/62/24/98/600622498.db2.gz WSWQVOVIFFCWAS-UHFFFAOYSA-N -1 0 331.799 3.942 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)c3ccc(C(=O)[O-])nc3)cc2)nc1 ZINC000733236923 600624199 /nfs/dbraw/zinc/62/41/99/600624199.db2.gz PEHJEXLRRHIJCR-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM CC[C@](C)(NC(=O)Nc1cccc(C(=O)[O-])c1C)c1nccs1 ZINC000736862221 600624657 /nfs/dbraw/zinc/62/46/57/600624657.db2.gz XURPYZSOVDTKOF-INIZCTEOSA-N -1 0 333.413 3.597 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)NC2(c3cccc(F)c3)CC2)c1 ZINC000740043210 600625160 /nfs/dbraw/zinc/62/51/60/600625160.db2.gz QNZPETHFKNDYKV-UHFFFAOYSA-N -1 0 329.331 3.726 20 0 EHADRM CCCN(CCc1cccc(F)c1)C(=O)c1ccc(C(=O)[O-])s1 ZINC000237011664 600634739 /nfs/dbraw/zinc/63/47/39/600634739.db2.gz WZIBUHCQZZMVDU-UHFFFAOYSA-N -1 0 335.400 3.680 20 0 EHADRM Cc1ccc(C[C@H]2CCCN2C(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000237827703 600634803 /nfs/dbraw/zinc/63/48/03/600634803.db2.gz ZYYXPUPNNPFHME-CQSZACIVSA-N -1 0 329.421 3.602 20 0 EHADRM COc1ccc(-c2nc(COc3cc(C)sc3C(=O)[O-])co2)cc1 ZINC000737913974 600638888 /nfs/dbraw/zinc/63/88/88/600638888.db2.gz QPBGQPUZYNBAMF-UHFFFAOYSA-N -1 0 345.376 3.997 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3)C(=O)[O-] ZINC000736243858 600646073 /nfs/dbraw/zinc/64/60/73/600646073.db2.gz JUDBNDIUTAUHGY-KRWDZBQOSA-N -1 0 342.439 3.666 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)C2CC2)o1 ZINC000245767861 600656152 /nfs/dbraw/zinc/65/61/52/600656152.db2.gz WSHPMOLJZNHXLJ-OEUWWYETSA-N -1 0 345.439 3.785 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)c2)oc1C ZINC000179976220 600658657 /nfs/dbraw/zinc/65/86/57/600658657.db2.gz DMCKDRQFSPEDIW-UKRRQHHQSA-N -1 0 342.395 3.788 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000193109063 600660803 /nfs/dbraw/zinc/66/08/03/600660803.db2.gz AVTCBHDKTRWHSG-MELADBBJSA-N -1 0 329.396 3.809 20 0 EHADRM CC1(C)CC[C@H](NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c2ccccc21 ZINC000353953823 600662533 /nfs/dbraw/zinc/66/25/33/600662533.db2.gz ZQEHUTRQVNLMNR-VBQJREDUSA-N -1 0 329.440 3.806 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cc(Cl)nc(Cl)c1)c1ccccc1F ZINC000833351235 600668438 /nfs/dbraw/zinc/66/84/38/600668438.db2.gz JVXDZILHIHAFOV-LBPRGKRZSA-N -1 0 344.125 3.510 20 0 EHADRM Cc1ccc(Cl)c(O[C@H](C)C(=O)Oc2ccccc2CC(=O)[O-])c1 ZINC000738602175 600677176 /nfs/dbraw/zinc/67/71/76/600677176.db2.gz IYPMSMXJNNAZGQ-GFCCVEGCSA-N -1 0 348.782 3.648 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NCCOCCOc2ccccc2)c1 ZINC000740072902 600678185 /nfs/dbraw/zinc/67/81/85/600678185.db2.gz VVSMISULGVNSFV-UHFFFAOYSA-N -1 0 335.787 3.546 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)COC(=O)C1CCCCCCC1 ZINC000832917216 600685976 /nfs/dbraw/zinc/68/59/76/600685976.db2.gz RNKYSUBCRRJULB-UHFFFAOYSA-N -1 0 347.411 3.535 20 0 EHADRM C[C@H]1CCCN(c2cc(C(=O)[O-])nc3ccc(Br)cc32)C1 ZINC000736790232 600686877 /nfs/dbraw/zinc/68/68/77/600686877.db2.gz BMHSMTNPOQRCDN-JTQLQIEISA-N -1 0 349.228 3.932 20 0 EHADRM CCCCN(C)c1cc(C(=O)[O-])nc2ccc(Br)cc21 ZINC000736993004 600686894 /nfs/dbraw/zinc/68/68/94/600686894.db2.gz STDQGIBEROHQOL-UHFFFAOYSA-N -1 0 337.217 3.932 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)CCc1c[nH]c2c1cccc2C ZINC000833025597 600687111 /nfs/dbraw/zinc/68/71/11/600687111.db2.gz MROKGCARNIEUOM-UHFFFAOYSA-N -1 0 341.363 3.752 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccc(F)cc2OCC2CC2)c1 ZINC000238211623 600692772 /nfs/dbraw/zinc/69/27/72/600692772.db2.gz FFVKRILFVBSDCH-UHFFFAOYSA-N -1 0 329.327 3.565 20 0 EHADRM CCc1[nH]c(C(=O)Nc2ccccc2OCC2CC2)c(C)c1C(=O)[O-] ZINC000737246020 600692821 /nfs/dbraw/zinc/69/28/21/600692821.db2.gz QBAIFXYFVUPEIF-UHFFFAOYSA-N -1 0 342.395 3.625 20 0 EHADRM O=C([O-])c1cccc(-c2noc(CCc3ccc(Cl)cc3)n2)c1 ZINC000833327916 600694819 /nfs/dbraw/zinc/69/48/19/600694819.db2.gz LTOARYCIFVOLFD-UHFFFAOYSA-N -1 0 328.755 3.873 20 0 EHADRM CCO[C@H](C)c1ncc(-c2nc(-c3cccc(C(=O)[O-])c3)no2)s1 ZINC000829901537 600697550 /nfs/dbraw/zinc/69/75/50/600697550.db2.gz ONXRMQCOHSGMDS-SECBINFHSA-N -1 0 345.380 3.656 20 0 EHADRM C[C@@H](C(=O)O[C@H](C(=O)[O-])c1ccccc1F)c1cccc(Cl)c1 ZINC000826064425 600701044 /nfs/dbraw/zinc/70/10/44/600701044.db2.gz JXYLHAACGSTPOR-BMIGLBTASA-N -1 0 336.746 3.952 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@H]2C[C@]23CCc2ccccc23)cc1 ZINC000192889359 600706449 /nfs/dbraw/zinc/70/64/49/600706449.db2.gz KPBJDVUSSVKJIJ-NQIIRXRSSA-N -1 0 335.403 3.546 20 0 EHADRM O=C([O-])c1occc1COC(=O)c1ncoc1-c1ccccc1Cl ZINC000833353172 600708679 /nfs/dbraw/zinc/70/86/79/600708679.db2.gz GTXUIMDINHWTDX-UHFFFAOYSA-N -1 0 347.710 3.643 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)[C@@H]1CCSc2ccccc21 ZINC000833025453 600710313 /nfs/dbraw/zinc/71/03/13/600710313.db2.gz LSHZFOXPGSBBAT-CYBMUJFWSA-N -1 0 332.377 3.609 20 0 EHADRM CC(C)OCCCN(C)Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000576529409 600716332 /nfs/dbraw/zinc/71/63/32/600716332.db2.gz BLXSHQBIYLGQOE-UHFFFAOYSA-N -1 0 348.468 3.755 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC000827427517 600721520 /nfs/dbraw/zinc/72/15/20/600721520.db2.gz IBYXSVGEWVOKLZ-DYVFJYSZSA-N -1 0 330.355 3.764 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)NCCCCCC(=O)[O-])C1 ZINC000414607958 600722488 /nfs/dbraw/zinc/72/24/88/600722488.db2.gz IKYOUJJTDSFBSF-BBRMVZONSA-N -1 0 336.407 3.563 20 0 EHADRM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)NCCCCC(=O)[O-] ZINC000666563239 600729112 /nfs/dbraw/zinc/72/91/12/600729112.db2.gz XNBTULMJSDDCHI-OAHLLOKOSA-N -1 0 332.444 3.814 20 0 EHADRM CC(C)C[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC000736400994 600730026 /nfs/dbraw/zinc/73/00/26/600730026.db2.gz AFJZZQURYUNEGO-RBUKOAKNSA-N -1 0 339.435 3.628 20 0 EHADRM CCOc1ccc(N[C@@H](C(=O)[O-])c2ccccc2F)cc1OCC ZINC000830085137 600732250 /nfs/dbraw/zinc/73/22/50/600732250.db2.gz PLHXFPXAJWEDJB-QGZVFWFLSA-N -1 0 333.359 3.861 20 0 EHADRM O=C([O-])[C@@H](Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccccc1F ZINC000833169652 600740026 /nfs/dbraw/zinc/74/00/26/600740026.db2.gz LRBQJBAANUJODH-QAPCUYQASA-N -1 0 345.370 3.621 20 0 EHADRM CC(C)C[C@@H]1CCCCCN1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000736428890 600744070 /nfs/dbraw/zinc/74/40/70/600744070.db2.gz XUDKJJFNGWKOQX-INIZCTEOSA-N -1 0 348.443 3.973 20 0 EHADRM Cc1cccc([C@@H]2CCCCN2C(=O)NCCCCC(=O)[O-])c1C ZINC000666561730 600744084 /nfs/dbraw/zinc/74/40/84/600744084.db2.gz CKUJQIUVZOAMAV-KRWDZBQOSA-N -1 0 332.444 3.795 20 0 EHADRM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)NCCCCC(=O)[O-])cc1 ZINC000666563117 600744138 /nfs/dbraw/zinc/74/41/38/600744138.db2.gz SYWHQVFMEDWOJG-IRXDYDNUSA-N -1 0 332.444 3.527 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(CC(=O)[O-])cc1)c1cc(F)ccc1F ZINC000736913980 600744695 /nfs/dbraw/zinc/74/46/95/600744695.db2.gz KURSSCMOLIJYFC-MRXNPFEDSA-N -1 0 348.349 3.865 20 0 EHADRM CCc1ccccc1CNC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000325361238 600746161 /nfs/dbraw/zinc/74/61/61/600746161.db2.gz HQNQDGDXQNVBPN-UHFFFAOYSA-N -1 0 326.396 3.588 20 0 EHADRM O=C([O-])C1CCC(NC(=O)N2CCCC3(C2)CCCCCC3)CC1 ZINC000414626787 600747517 /nfs/dbraw/zinc/74/75/17/600747517.db2.gz MFFJZWBDZIBHJT-UHFFFAOYSA-N -1 0 336.476 3.776 20 0 EHADRM CC[C@H](NC(=O)NCc1ccc(C(=O)[O-])o1)C(C)(C)c1ccccc1 ZINC000828951256 600750805 /nfs/dbraw/zinc/75/08/05/600750805.db2.gz HQYJFTSNTRGZHH-INIZCTEOSA-N -1 0 344.411 3.533 20 0 EHADRM CCC[C@]1(C)CCCN(C(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000829238255 600751799 /nfs/dbraw/zinc/75/17/99/600751799.db2.gz PCETXSDGTZHVLS-LJQANCHMSA-N -1 0 347.459 3.931 20 0 EHADRM Cn1ccc2c1cccc2C(=O)Oc1cc(Cl)ccc1C(=O)[O-] ZINC000739038287 600756776 /nfs/dbraw/zinc/75/67/76/600756776.db2.gz CDQKXJCQJHZLGW-UHFFFAOYSA-N -1 0 329.739 3.749 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)cc1 ZINC000833287028 600774116 /nfs/dbraw/zinc/77/41/16/600774116.db2.gz BDHKAYKZACTRBC-HLLBOEOZSA-N -1 0 345.443 3.587 20 0 EHADRM Cc1c(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)cccc1C(=O)[O-] ZINC000678975796 600784403 /nfs/dbraw/zinc/78/44/03/600784403.db2.gz OXUQPUDMMPYGPD-DYESRHJHSA-N -1 0 335.403 3.926 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2C[C@]23CCCc2ccccc23)ccc1F ZINC000776630255 600784433 /nfs/dbraw/zinc/78/44/33/600784433.db2.gz DVDMBJFADMSJKU-UZLBHIALSA-N -1 0 339.366 3.757 20 0 EHADRM CC[C@](NC(=O)c1cccc2ccc(C)nc21)(C(=O)[O-])c1ccccc1 ZINC000431427218 600786996 /nfs/dbraw/zinc/78/69/96/600786996.db2.gz MLWGLNQLVHLOIJ-OAQYLSRUSA-N -1 0 348.402 3.663 20 0 EHADRM C[C@@H]1CCC[C@@H](C(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)C1 ZINC000237572219 600796698 /nfs/dbraw/zinc/79/66/98/600796698.db2.gz ISYRHXHFGKXVPS-CHWSQXEVSA-N -1 0 339.382 3.594 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)/C=C\c1cccc(F)c1)c1cccc(Cl)c1 ZINC000776676539 600800574 /nfs/dbraw/zinc/80/05/74/600800574.db2.gz GSYAZJUKYSYUPC-XITLMJRVSA-N -1 0 347.773 3.825 20 0 EHADRM CCc1ccsc1C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000776673590 600802741 /nfs/dbraw/zinc/80/27/41/600802741.db2.gz NOKBYWGZKVJMMA-CYBMUJFWSA-N -1 0 337.828 3.910 20 0 EHADRM Cc1cccc2c(CC(=O)O[C@@H](C(=O)[O-])c3ccc(F)cc3)c[nH]c21 ZINC000738747816 600805117 /nfs/dbraw/zinc/80/51/17/600805117.db2.gz LNGQFLKAKHDANA-GOSISDBHSA-N -1 0 341.338 3.527 20 0 EHADRM Cc1cccc(CC(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000776675235 600805239 /nfs/dbraw/zinc/80/52/39/600805239.db2.gz QPASHTIJUVQQTR-MRXNPFEDSA-N -1 0 331.799 3.523 20 0 EHADRM Cc1ccc2c(CCC(=O)Nc3ccsc3C(=O)[O-])c[nH]c2c1 ZINC000832960983 600807311 /nfs/dbraw/zinc/80/73/11/600807311.db2.gz VKGNQGCFDIZTPI-UHFFFAOYSA-N -1 0 328.393 3.807 20 0 EHADRM CCc1[nH]c(C(=O)N2CC[C@H](C)C[C@H]2c2ccco2)c(C)c1C(=O)[O-] ZINC000830183320 600810265 /nfs/dbraw/zinc/81/02/65/600810265.db2.gz FTMFLHSVOMIGQK-FZMZJTMJSA-N -1 0 344.411 3.790 20 0 EHADRM CCc1[nH]c(C(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)c(C)c1C(=O)[O-] ZINC000830183321 600810344 /nfs/dbraw/zinc/81/03/44/600810344.db2.gz FTMFLHSVOMIGQK-RISCZKNCSA-N -1 0 344.411 3.790 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cc(F)ccc1F)c1cccc(Cl)c1 ZINC000740292362 600815430 /nfs/dbraw/zinc/81/54/30/600815430.db2.gz PZXDZKJXSIXVPG-ZDUSSCGKSA-N -1 0 326.682 3.601 20 0 EHADRM C[C@@H](SC[C@@H](C)C(=O)[O-])c1nc(Cc2ccc(Cl)cc2)no1 ZINC000736617531 600819479 /nfs/dbraw/zinc/81/94/79/600819479.db2.gz OEGFNJCTOXJCRR-NXEZZACHSA-N -1 0 340.832 3.829 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=S)Nc2ccc(F)cc2F)c2ccccc21 ZINC000739652608 600820292 /nfs/dbraw/zinc/82/02/92/600820292.db2.gz CKXGWSMYVNGIIY-SNVBAGLBSA-N -1 0 348.374 3.740 20 0 EHADRM C[C@H](CNc1nc(Cl)c(C(=O)[O-])s1)Oc1cccc(F)c1 ZINC000827513143 600820927 /nfs/dbraw/zinc/82/09/27/600820927.db2.gz XQLBVZLGKRHCKI-SSDOTTSWSA-N -1 0 330.768 3.513 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=S)Nc2ccc(C)cc2)c1OC ZINC000737855994 600822238 /nfs/dbraw/zinc/82/22/38/600822238.db2.gz XTIWNRKGDVQMQZ-UHFFFAOYSA-N -1 0 346.408 3.519 20 0 EHADRM Cc1cc(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)sc1C(=O)[O-] ZINC000738234157 600826443 /nfs/dbraw/zinc/82/64/43/600826443.db2.gz HJVGDULPUFYSIN-ONGXEEELSA-N -1 0 337.347 3.775 20 0 EHADRM Cc1ccc(N(C)C(C)C)c(C(=O)Nc2ccc(C(=O)[O-])s2)c1 ZINC000738608675 600826890 /nfs/dbraw/zinc/82/68/90/600826890.db2.gz QSWHNPSRDHIMON-UHFFFAOYSA-N -1 0 332.425 3.852 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)c1 ZINC000238150417 600829413 /nfs/dbraw/zinc/82/94/13/600829413.db2.gz CGWLBNJGUQSJGM-CMPLNLGQSA-N -1 0 335.281 3.544 20 0 EHADRM CCC[C@](C)(NC(=O)C[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000236810842 600830991 /nfs/dbraw/zinc/83/09/91/600830991.db2.gz DVJQIOWEXXGCDN-ZBEGNZNMSA-N -1 0 345.361 3.959 20 0 EHADRM CC/C(=C\C(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccc(C)cc1 ZINC000736837411 600832023 /nfs/dbraw/zinc/83/20/23/600832023.db2.gz VZVBTPSDMAECQF-NTCAYCPXSA-N -1 0 339.391 3.891 20 0 EHADRM Cc1ccccc1[C@H]1CN(Cc2ccc(F)cc2C(=O)[O-])[C@@H](C)CO1 ZINC000570100861 600832854 /nfs/dbraw/zinc/83/28/54/600832854.db2.gz YKATVRNFUFXWNA-IFXJQAMLSA-N -1 0 343.398 3.794 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)c1 ZINC000740042365 600834553 /nfs/dbraw/zinc/83/45/53/600834553.db2.gz GKBQEHSQEIJHSC-CHWSQXEVSA-N -1 0 332.306 3.797 20 0 EHADRM CCn1cnnc1S[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000830435315 600834965 /nfs/dbraw/zinc/83/49/65/600834965.db2.gz NVOQACJTMJTMNB-SNVBAGLBSA-N -1 0 332.212 3.523 20 0 EHADRM Cc1noc(C(F)(F)F)c1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000833022060 600835695 /nfs/dbraw/zinc/83/56/95/600835695.db2.gz XJMBLPBMNYBOGC-UHFFFAOYSA-N -1 0 348.664 3.606 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)Oc2ccc(Br)cc2C(=O)[O-])C1 ZINC000736777154 600835992 /nfs/dbraw/zinc/83/59/92/600835992.db2.gz YVAAMRIMTYWAPV-ZJUUUORDSA-N -1 0 341.201 3.879 20 0 EHADRM O=C([O-])c1ccc(OCCSc2ccc(Cl)nn2)c(Cl)c1 ZINC000833321942 600836717 /nfs/dbraw/zinc/83/67/17/600836717.db2.gz BDEACDWOSUINGZ-UHFFFAOYSA-N -1 0 345.207 3.653 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N1CCN(Cc2cc(C(=O)[O-])co2)CC1 ZINC000827935014 600837805 /nfs/dbraw/zinc/83/78/05/600837805.db2.gz LYPIHVOSUZBISX-CYBMUJFWSA-N -1 0 348.830 3.510 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N1CCN(Cc2ccoc2C(=O)[O-])CC1 ZINC000827934471 600837971 /nfs/dbraw/zinc/83/79/71/600837971.db2.gz GLMHEZYIAQTLAH-ZDUSSCGKSA-N -1 0 348.830 3.510 20 0 EHADRM CC/C(=C\C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c1ccc(C)cc1 ZINC000736835595 600839012 /nfs/dbraw/zinc/83/90/12/600839012.db2.gz ODMZFFOLCTWIKD-FLXZHSAZSA-N -1 0 337.419 3.601 20 0 EHADRM Cc1ccc(CCN(Cc2ccc(C(=O)[O-])o2)CC(F)(F)F)cc1 ZINC000832929786 600839765 /nfs/dbraw/zinc/83/97/65/600839765.db2.gz DXHJYNZLEFINMX-UHFFFAOYSA-N -1 0 341.329 3.893 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)[C@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000740017356 600844990 /nfs/dbraw/zinc/84/49/90/600844990.db2.gz LVDLAEVAZBJFCG-SJORKVTESA-N -1 0 330.428 3.652 20 0 EHADRM Cc1nc(C2CCCC2)sc1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000237616534 600846456 /nfs/dbraw/zinc/84/64/56/600846456.db2.gz GMFOFWDTXJBHBT-UHFFFAOYSA-N -1 0 344.436 3.737 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)Cc2cc3ccccc3o2)c2ccccc21 ZINC000739646954 600849789 /nfs/dbraw/zinc/84/97/89/600849789.db2.gz QRASZOKYYJMHFW-CQSZACIVSA-N -1 0 335.359 3.580 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@H]2SCCc3sccc32)c1 ZINC000238153871 600851008 /nfs/dbraw/zinc/85/10/08/600851008.db2.gz XSOOLLMIELGPTC-ZDUSSCGKSA-N -1 0 337.397 3.555 20 0 EHADRM Cc1c(NC(=O)[C@H]2SCCc3sccc32)cccc1C(=O)[O-] ZINC000675966951 600856565 /nfs/dbraw/zinc/85/65/65/600856565.db2.gz VFPWVDRBPWBZFS-AWEZNQCLSA-N -1 0 333.434 3.724 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)c2cccc(-n3cccc3)c2)c2ccccc21 ZINC000739646263 600857376 /nfs/dbraw/zinc/85/73/76/600857376.db2.gz ILZMOCUAHBJKGV-INIZCTEOSA-N -1 0 346.386 3.696 20 0 EHADRM CSCc1ccc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000325285489 600862662 /nfs/dbraw/zinc/86/26/62/600862662.db2.gz LHFZQNVGPPZQBG-HNNXBMFYSA-N -1 0 341.432 3.768 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000327159398 600862857 /nfs/dbraw/zinc/86/28/57/600862857.db2.gz PPFYOXXEIUYSOM-LBPRGKRZSA-N -1 0 349.308 3.924 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000262345482 600863205 /nfs/dbraw/zinc/86/32/05/600863205.db2.gz GRTKBVRCJOSDFT-UWIFEVILSA-N -1 0 347.430 3.639 20 0 EHADRM CCc1ccc(CCC(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000327466492 600863343 /nfs/dbraw/zinc/86/33/43/600863343.db2.gz WJZNDBAIVLZLJZ-QGZVFWFLSA-N -1 0 337.419 3.787 20 0 EHADRM CC/C=C(\C)C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000736948287 600867592 /nfs/dbraw/zinc/86/75/92/600867592.db2.gz KXPFTVOTZHDVQV-QPJJXVBHSA-N -1 0 330.153 3.581 20 0 EHADRM Cc1ccc([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)o1 ZINC000832922464 600869893 /nfs/dbraw/zinc/86/98/93/600869893.db2.gz AQISVCJKYLTAHI-GFCCVEGCSA-N -1 0 331.368 3.816 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000326577417 600870045 /nfs/dbraw/zinc/87/00/45/600870045.db2.gz AFCTYOGQCDVWGU-OLZOCXBDSA-N -1 0 333.428 3.822 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000171789460 600873879 /nfs/dbraw/zinc/87/38/79/600873879.db2.gz FIQAUUIVFPBVGB-QZTJIDSGSA-N -1 0 337.419 3.783 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)C[C@@H](C)C2CCCCC2)c1OC ZINC000262565127 600875422 /nfs/dbraw/zinc/87/54/22/600875422.db2.gz ZWIUTWAAVUJGKW-GFCCVEGCSA-N -1 0 349.427 3.947 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000192935641 600883455 /nfs/dbraw/zinc/88/34/55/600883455.db2.gz XLTZJFYVBYVVEQ-DYVFJYSZSA-N -1 0 341.382 3.609 20 0 EHADRM COc1ccc(/C=C\C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC000327096988 600883755 /nfs/dbraw/zinc/88/37/55/600883755.db2.gz CGPRULWEBSKOAF-MLPAPPSSSA-N -1 0 339.391 3.709 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)COc2cccc(Cl)c2)cc1 ZINC000325190753 600883840 /nfs/dbraw/zinc/88/38/40/600883840.db2.gz GHZLMKNKYXUJPT-UHFFFAOYSA-N -1 0 347.798 3.720 20 0 EHADRM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1)C(F)(F)F ZINC000825994180 600890919 /nfs/dbraw/zinc/89/09/19/600890919.db2.gz CXBQRZOBKBMLGX-GWCFXTLKSA-N -1 0 345.361 3.815 20 0 EHADRM C[C@]1(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)CCc2ccccc2C1 ZINC000827965745 600893042 /nfs/dbraw/zinc/89/30/42/600893042.db2.gz HWULATRJDBQFNV-VGSWGCGISA-N -1 0 349.430 3.787 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ncc(Cc3ccccc3)s2)C1 ZINC000833189985 600894557 /nfs/dbraw/zinc/89/45/57/600894557.db2.gz VMQKYHVKLCHFNQ-KGLIPLIRSA-N -1 0 344.436 3.563 20 0 EHADRM CCOc1c(F)cccc1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000262557454 600896042 /nfs/dbraw/zinc/89/60/42/600896042.db2.gz YNLUWXAWSUNKOQ-UHFFFAOYSA-N -1 0 345.370 3.839 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC000262512774 600909793 /nfs/dbraw/zinc/90/97/93/600909793.db2.gz BUUUEQXDBHTVPD-MLHJIOFPSA-N -1 0 329.440 3.720 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000498663106 600910660 /nfs/dbraw/zinc/91/06/60/600910660.db2.gz ZPZZHZZXNUCTKD-GJZGRUSLSA-N -1 0 333.428 3.941 20 0 EHADRM CCC[C@@H](CCc1ccccc1)NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000736969023 600914350 /nfs/dbraw/zinc/91/43/50/600914350.db2.gz CKLDCBUXSZZPFO-INIZCTEOSA-N -1 0 342.439 3.861 20 0 EHADRM CCSCc1cccc(NC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)c1 ZINC000737232064 600914355 /nfs/dbraw/zinc/91/43/55/600914355.db2.gz WNIZULJSCYMDSE-UHFFFAOYSA-N -1 0 332.425 3.835 20 0 EHADRM COc1ccc([C@H](C)CCNC(=O)c2ccccc2NC(=O)[O-])cc1 ZINC000737945572 600916390 /nfs/dbraw/zinc/91/63/90/600916390.db2.gz BMSKMRKSSGKAOZ-CYBMUJFWSA-N -1 0 342.395 3.709 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2c(cccc2Cl)s1)c1ccccn1 ZINC000833126796 600917514 /nfs/dbraw/zinc/91/75/14/600917514.db2.gz QSTZHPMNRWXLRT-AWEZNQCLSA-N -1 0 346.795 3.505 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000553755527 600918142 /nfs/dbraw/zinc/91/81/42/600918142.db2.gz PJGUQPYGVUFIEE-QYZOEREBSA-N -1 0 339.435 3.806 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000553755526 600918355 /nfs/dbraw/zinc/91/83/55/600918355.db2.gz PJGUQPYGVUFIEE-QRVBRYPASA-N -1 0 339.435 3.806 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CC3(CCCC3)c3c2cccc3F)C1 ZINC000498624583 600919059 /nfs/dbraw/zinc/91/90/59/600919059.db2.gz AGBGZZPTDLQMTM-ZIAGYGMSSA-N -1 0 345.414 3.875 20 0 EHADRM CC(C)CCOc1ccccc1CNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000498621463 600921057 /nfs/dbraw/zinc/92/10/57/600921057.db2.gz XGOCUNPSQXUFGV-HOTGVXAUSA-N -1 0 347.455 3.619 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(CC(F)(F)F)c2)s1 ZINC000833312071 600922063 /nfs/dbraw/zinc/92/20/63/600922063.db2.gz NPXMQGGPAVAHPZ-UHFFFAOYSA-N -1 0 329.299 3.803 20 0 EHADRM CCC(CC)(NC(=O)CCC(=O)c1ccc2ccccc2c1)C(=O)[O-] ZINC000828824425 600922208 /nfs/dbraw/zinc/92/22/08/600922208.db2.gz IXSWUEWUUUEFIW-UHFFFAOYSA-N -1 0 341.407 3.562 20 0 EHADRM CCC(CC)(NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)C(=O)[O-] ZINC000342558463 600923064 /nfs/dbraw/zinc/92/30/64/600923064.db2.gz GEBGZYKBVZFSGS-UHFFFAOYSA-N -1 0 343.210 3.848 20 0 EHADRM CCC(CC)(NC(=O)[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000828820525 600924028 /nfs/dbraw/zinc/92/40/28/600924028.db2.gz LEKMBDMOHSYKPC-SNVBAGLBSA-N -1 0 331.334 3.569 20 0 EHADRM CCC(CC)(NC(=O)[C@H]1C[C@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000342544999 600926507 /nfs/dbraw/zinc/92/65/07/600926507.db2.gz KTIPGIGXXGOXFA-IRXDYDNUSA-N -1 0 325.408 3.703 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CC[C@@H](CSc3ccccc3)C2)c1 ZINC000238206508 600929181 /nfs/dbraw/zinc/92/91/81/600929181.db2.gz SHDWBGWGKQMWDA-CQSZACIVSA-N -1 0 341.432 3.639 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c1 ZINC000262366857 600931600 /nfs/dbraw/zinc/93/16/00/600931600.db2.gz FKEBPTUYEGRMEF-QLPKVWCKSA-N -1 0 333.453 3.769 20 0 EHADRM CC[C@]1(C)CCCN(C(=O)c2ccccc2S[C@H](C)C(=O)[O-])C1 ZINC000192967029 600932725 /nfs/dbraw/zinc/93/27/25/600932725.db2.gz OHZZAORHWFQVDT-FZKQIMNGSA-N -1 0 335.469 3.904 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2c[nH]c(-c3ccccc3)n2)cc1 ZINC000736228512 600933550 /nfs/dbraw/zinc/93/35/50/600933550.db2.gz RGHDWCDORFKDIB-UHFFFAOYSA-N -1 0 349.390 3.691 20 0 EHADRM CCCC[C@H](Sc1nnc(C)n1CCc1cccs1)C(=O)[O-] ZINC000736986366 600937371 /nfs/dbraw/zinc/93/73/71/600937371.db2.gz UXAQEYCCHPTKFA-ZDUSSCGKSA-N -1 0 339.486 3.626 20 0 EHADRM O=C([O-])CCN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1cccc(F)c1 ZINC000739710722 600939794 /nfs/dbraw/zinc/93/97/94/600939794.db2.gz HOPOAXSNWLYBIM-DLBZAZTESA-N -1 0 345.345 3.576 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1OC(=O)CCC1CCOCC1 ZINC000833097761 600940716 /nfs/dbraw/zinc/94/07/16/600940716.db2.gz UFOZDYSQLORMAR-UHFFFAOYSA-N -1 0 328.364 3.650 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NCC2CCC(c3ccccc3)CC2)C1 ZINC000498655455 600941324 /nfs/dbraw/zinc/94/13/24/600941324.db2.gz ICQIAWBRILINLR-AWRGBYNESA-N -1 0 343.467 3.968 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000827427743 600946774 /nfs/dbraw/zinc/94/67/74/600946774.db2.gz MVAAUIMRMSRNBK-CYBMUJFWSA-N -1 0 330.355 3.627 20 0 EHADRM COC(=O)c1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1C(=O)[O-] ZINC000831427267 600950356 /nfs/dbraw/zinc/95/03/56/600950356.db2.gz FSYDKIFJBLEXRN-UHFFFAOYSA-N -1 0 341.363 3.547 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000180012776 600959296 /nfs/dbraw/zinc/95/92/96/600959296.db2.gz UMXZYZNIJJQANE-NEPJUHHUSA-N -1 0 339.819 3.957 20 0 EHADRM Cc1ccc(-c2noc(CN3C[C@@H](CC(=O)[O-])c4ccccc43)n2)cc1 ZINC000738495498 600959315 /nfs/dbraw/zinc/95/93/15/600959315.db2.gz VNZGMGQGGIJMFL-OAHLLOKOSA-N -1 0 349.390 3.624 20 0 EHADRM O=C([O-])C[C@@H]1CN(Cc2nccn2Cc2ccccc2)c2ccccc21 ZINC000739652574 600959462 /nfs/dbraw/zinc/95/94/62/600959462.db2.gz ATCCWSYZARCKIH-QGZVFWFLSA-N -1 0 347.418 3.510 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000245724205 600963724 /nfs/dbraw/zinc/96/37/24/600963724.db2.gz PDYVGDZPNDMVAK-YLFCFFPRSA-N -1 0 329.440 3.590 20 0 EHADRM CCC(CC)(C(=O)Nc1nc(C)c(C(=O)[O-])s1)c1ccccc1 ZINC000828770123 600965788 /nfs/dbraw/zinc/96/57/88/600965788.db2.gz CXXKUUGPEDXRPX-UHFFFAOYSA-N -1 0 332.425 3.846 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000776595153 600968419 /nfs/dbraw/zinc/96/84/19/600968419.db2.gz FUZMRPSZPMBQHY-QBIMZIAESA-N -1 0 345.439 3.648 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)[C@@H]1CCCS1)CCCCC2 ZINC000833295106 600969919 /nfs/dbraw/zinc/96/99/19/600969919.db2.gz ZZBOJFGEDHBKLQ-NSHDSACASA-N -1 0 325.455 3.549 20 0 EHADRM Cc1ccccc1[C@H]1CN([C@H](C(=O)[O-])c2cccc(Cl)c2)CCO1 ZINC000519646275 600971099 /nfs/dbraw/zinc/97/10/99/600971099.db2.gz UKTXREQLCAHEFT-MSOLQXFVSA-N -1 0 345.826 3.848 20 0 EHADRM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000249388661 600971879 /nfs/dbraw/zinc/97/18/79/600971879.db2.gz BMLSBGPZGHFTPX-DNNBLBMLSA-N -1 0 333.403 3.626 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OC(=O)[C@@H]1SCCc2ccccc21 ZINC000833299916 600972033 /nfs/dbraw/zinc/97/20/33/600972033.db2.gz XHSDVMLUTJITPY-OAHLLOKOSA-N -1 0 348.807 3.974 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C1 ZINC000192967823 600973293 /nfs/dbraw/zinc/97/32/93/600973293.db2.gz RUVNEYSACDJYER-VWPFQQQWSA-N -1 0 333.403 3.626 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000321803447 600994653 /nfs/dbraw/zinc/99/46/53/600994653.db2.gz YUJDUNBUXKYDQW-SNVBAGLBSA-N -1 0 332.322 3.574 20 0 EHADRM C[C@H](C(=O)Nc1sc2c(c1C(=O)[O-])CCC2)c1cccc(F)c1 ZINC000736219551 600994992 /nfs/dbraw/zinc/99/49/92/600994992.db2.gz QWYUTOGHFFMVCR-VIFPVBQESA-N -1 0 333.384 3.816 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NC[C@H](C)Sc1ccccc1 ZINC000832915691 600996981 /nfs/dbraw/zinc/99/69/81/600996981.db2.gz MWDYYJVZNHJDNE-ZDUSSCGKSA-N -1 0 344.436 3.996 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccccc1SC(F)F)C(=O)[O-] ZINC000321611493 600998149 /nfs/dbraw/zinc/99/81/49/600998149.db2.gz WXANDJMZXLFDGO-SNVBAGLBSA-N -1 0 346.399 3.870 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NC[C@H](C)Oc1ccccc1C ZINC000832916158 600998651 /nfs/dbraw/zinc/99/86/51/600998651.db2.gz SPWFGVGAWNUYHY-AWEZNQCLSA-N -1 0 342.395 3.591 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1CCSc2ccccc21)c1cccs1 ZINC000739626880 600999915 /nfs/dbraw/zinc/99/99/15/600999915.db2.gz LLZHYXJMFGXSJZ-STQMWFEESA-N -1 0 347.461 3.660 20 0 EHADRM C[C@H](C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000345783854 601003261 /nfs/dbraw/zinc/00/32/61/601003261.db2.gz SLZYGWXQLWXRQG-YUDUHTQSSA-N -1 0 335.831 3.688 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000738085792 601005221 /nfs/dbraw/zinc/00/52/21/601005221.db2.gz RTVKZOFETPMNOJ-JTQLQIEISA-N -1 0 334.755 3.756 20 0 EHADRM CCCCCC[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000736983175 601008321 /nfs/dbraw/zinc/00/83/21/601008321.db2.gz AYKHFEJUQKSKFK-IAQYHMDHSA-N -1 0 327.371 3.813 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@H]2C[C@@H]2C2CCCCC2)c(F)cc1F ZINC000833150662 601012874 /nfs/dbraw/zinc/01/28/74/601012874.db2.gz HWZXTJBWTKLNOE-YGRLFVJLSA-N -1 0 338.354 3.753 20 0 EHADRM CC[C@](C)(NC(=O)Nc1cccc(C(=O)[O-])c1C)c1nc(C)cs1 ZINC000828685007 601014950 /nfs/dbraw/zinc/01/49/50/601014950.db2.gz BNPCNMGYNWJWJT-KRWDZBQOSA-N -1 0 347.440 3.905 20 0 EHADRM CN(Cc1ccc(NC(=O)c2cnc3ccsc3c2)cc1)C(=O)[O-] ZINC000737485397 601017807 /nfs/dbraw/zinc/01/78/07/601017807.db2.gz LUAKQUKHSWFOIG-UHFFFAOYSA-N -1 0 341.392 3.658 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)N(CC(=O)[O-])c2ccccc2)c1 ZINC000736344067 601018803 /nfs/dbraw/zinc/01/88/03/601018803.db2.gz YPOLXMRTNQQLEY-UHFFFAOYSA-N -1 0 339.391 3.763 20 0 EHADRM Cc1ccc(Br)cc1C(=O)Oc1ccccc1CC(=O)[O-] ZINC000738500831 601021735 /nfs/dbraw/zinc/02/17/35/601021735.db2.gz FEKXODAMIDMLPH-UHFFFAOYSA-N -1 0 349.180 3.604 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)Oc1ccccc1CC(=O)[O-] ZINC000736762014 601021986 /nfs/dbraw/zinc/02/19/86/601021986.db2.gz KIZSAARQICAJRF-QGPMSJSTSA-N -1 0 348.439 3.697 20 0 EHADRM Cc1cccc2c(CCC(=O)Oc3ccccc3CC(=O)[O-])c[nH]c21 ZINC000738747031 601022032 /nfs/dbraw/zinc/02/20/32/601022032.db2.gz DGVXVQXPVPOQCS-UHFFFAOYSA-N -1 0 337.375 3.642 20 0 EHADRM O=C([O-])CCN(C(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(F)c1 ZINC000739710050 601025401 /nfs/dbraw/zinc/02/54/01/601025401.db2.gz BYKGKCHJPNLDRN-UHFFFAOYSA-N -1 0 345.414 3.850 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)N[C@H]2C[C@H]2C2CCCCC2)cc1 ZINC000830514115 601030310 /nfs/dbraw/zinc/03/03/10/601030310.db2.gz NEZDGDZDNLXCMG-HOTGVXAUSA-N -1 0 331.416 3.891 20 0 EHADRM CN(C(=O)c1ccccc1SCc1occc1C(=O)[O-])C1CCC1 ZINC000262176064 601041221 /nfs/dbraw/zinc/04/12/21/601041221.db2.gz QSARUMNSYUWVBP-UHFFFAOYSA-N -1 0 345.420 3.895 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)N2CCC3(CCCC3)C2)c1 ZINC000833262052 601042247 /nfs/dbraw/zinc/04/22/47/601042247.db2.gz ACKNQEIYIZHDIW-UHFFFAOYSA-N -1 0 348.468 3.802 20 0 EHADRM Cc1ccc(CC[C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])cc2F)o1 ZINC000832930927 601045212 /nfs/dbraw/zinc/04/52/12/601045212.db2.gz UTLVGGWBUHNYHW-SNVBAGLBSA-N -1 0 334.347 3.568 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(CCC(=O)[O-])cc1)Cc1cccs1 ZINC000827486520 601046195 /nfs/dbraw/zinc/04/61/95/601046195.db2.gz ONSFIVWRHUJRQO-ZDUSSCGKSA-N -1 0 346.452 3.766 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)Nc2cccc(NC(=O)[O-])c2)c1 ZINC000736524034 601047069 /nfs/dbraw/zinc/04/70/69/601047069.db2.gz YYELRXYFZSUVGL-UHFFFAOYSA-N -1 0 334.397 3.701 20 0 EHADRM CSCc1cccc(NC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000832770982 601047940 /nfs/dbraw/zinc/04/79/40/601047940.db2.gz ROAYTLCVXJOMIM-MRXNPFEDSA-N -1 0 344.436 3.540 20 0 EHADRM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000828121005 601055474 /nfs/dbraw/zinc/05/54/74/601055474.db2.gz ATHGNOUYNRPMDO-YJBOKZPZSA-N -1 0 344.798 3.890 20 0 EHADRM Cc1ccc2c(CCC(=O)Nc3ccc(F)c(C(=O)[O-])c3)c[nH]c2c1 ZINC000832960187 601059157 /nfs/dbraw/zinc/05/91/57/601059157.db2.gz NLNSBAGPNKLGJD-UHFFFAOYSA-N -1 0 340.354 3.885 20 0 EHADRM Cc1ccc(SCCC(=O)O[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000832957455 601060001 /nfs/dbraw/zinc/06/00/01/601060001.db2.gz IKFJKUFJYMAOSW-KRWDZBQOSA-N -1 0 348.395 3.985 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2CCSc3ccccc32)cc1C(=O)[O-] ZINC000832941263 601063532 /nfs/dbraw/zinc/06/35/32/601063532.db2.gz IDMPTHSCUSUZOA-CQSZACIVSA-N -1 0 327.405 3.911 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)c1ccncc1Cl ZINC000238017281 601066392 /nfs/dbraw/zinc/06/63/92/601066392.db2.gz CSDMCJNOMHCERT-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM CCOc1ccc(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1OCC ZINC000262259558 601066395 /nfs/dbraw/zinc/06/63/95/601066395.db2.gz QYQQQSPNDMMHRY-UHFFFAOYSA-N -1 0 343.379 3.743 20 0 EHADRM CCN(C(=O)[C@H](C)CCOc1ccccc1)c1ccccc1C(=O)[O-] ZINC000829590911 601068730 /nfs/dbraw/zinc/06/87/30/601068730.db2.gz JJLLNTPKQFHWCD-OAHLLOKOSA-N -1 0 341.407 3.843 20 0 EHADRM CCSCC[C@@H](C)NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000160626419 601069764 /nfs/dbraw/zinc/06/97/64/601069764.db2.gz AXGPHFULXXDGFE-SECBINFHSA-N -1 0 330.837 3.691 20 0 EHADRM O=C([O-])[C@@H](OC(=O)/C=C\Sc1ccccc1)c1ccccc1F ZINC000833093172 601070294 /nfs/dbraw/zinc/07/02/94/601070294.db2.gz UKNXSCZRYPSKKJ-SNGWPZLWSA-N -1 0 332.352 3.801 20 0 EHADRM C/C(=C/C(=O)NC[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1Cl ZINC000736119646 601073515 /nfs/dbraw/zinc/07/35/15/601073515.db2.gz BATOZSKHLDMVMA-DVFVSVACSA-N -1 0 343.810 3.728 20 0 EHADRM CSc1ccc(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)o1 ZINC000832774331 601078879 /nfs/dbraw/zinc/07/88/79/601078879.db2.gz HPXIAXPWTKCEIO-UHFFFAOYSA-N -1 0 340.426 3.706 20 0 EHADRM Cc1cc(CNC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)ccc1F ZINC000832883436 601088261 /nfs/dbraw/zinc/08/82/61/601088261.db2.gz WSPGTUMPIWWOBX-UHFFFAOYSA-N -1 0 344.386 3.818 20 0 EHADRM Cc1csc([C@@H](C)NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)n1 ZINC000391726786 601089915 /nfs/dbraw/zinc/08/99/15/601089915.db2.gz SDQGLKXEIARUON-LLVKDONJSA-N -1 0 347.440 3.696 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)c1ccccc1Cl ZINC000833178330 601091441 /nfs/dbraw/zinc/09/14/41/601091441.db2.gz GVCFJJQXLODRGA-BBRMVZONSA-N -1 0 335.831 3.836 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N[C@H]2CCCc3occc32)cc1 ZINC000826118183 601093203 /nfs/dbraw/zinc/09/32/03/601093203.db2.gz CEQKHMLFZJDGLR-HNNXBMFYSA-N -1 0 342.395 3.841 20 0 EHADRM CC(C)(C)n1cc(NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cn1 ZINC000826122819 601093393 /nfs/dbraw/zinc/09/33/93/601093393.db2.gz QGFAHVOMYHOOQG-UHFFFAOYSA-N -1 0 344.415 3.644 20 0 EHADRM CC(C)C[C@@H]1CCN(C(=O)c2ccccc2S[C@@H](C)C(=O)[O-])C1 ZINC000236649339 601095796 /nfs/dbraw/zinc/09/57/96/601095796.db2.gz JJVRZOKTQVIBKN-KBPBESRZSA-N -1 0 335.469 3.760 20 0 EHADRM Cc1ccccc1CCNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000327136878 601096715 /nfs/dbraw/zinc/09/67/15/601096715.db2.gz LKRVFVRPSSCEOD-UHFFFAOYSA-N -1 0 340.423 3.721 20 0 EHADRM CCC[C@@H](C)C(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000829209036 601109244 /nfs/dbraw/zinc/10/92/44/601109244.db2.gz QIISRWVSECURQO-LLVKDONJSA-N -1 0 333.409 3.988 20 0 EHADRM Cc1[nH]c(-c2ccccc2)nc1C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000832948742 601109598 /nfs/dbraw/zinc/10/95/98/601109598.db2.gz CEIYJKDCSQRKMW-UHFFFAOYSA-N -1 0 335.363 3.644 20 0 EHADRM O=C([O-])c1ccc(COc2ccc(C=Cc3nccc(=O)[nH]3)cc2)cc1 ZINC000740133643 601112421 /nfs/dbraw/zinc/11/24/21/601112421.db2.gz OJYORBHTQWPGAL-YHYXMXQVSA-N -1 0 348.358 3.630 20 0 EHADRM CCN(C(=O)c1ccc2ccccc2c1)c1ncc(C(=O)[O-])s1 ZINC000737059922 601112919 /nfs/dbraw/zinc/11/29/19/601112919.db2.gz VUZUEJGZLVFRRG-UHFFFAOYSA-N -1 0 326.377 3.661 20 0 EHADRM Cc1ccc2oc(C(=O)O[C@H](C(=O)[O-])c3ccccc3F)cc2c1 ZINC000832960173 601115883 /nfs/dbraw/zinc/11/58/83/601115883.db2.gz NTIKGGBEPIWKPB-INIZCTEOSA-N -1 0 328.295 3.863 20 0 EHADRM C/C(=C/C(=O)O[C@@H](C(=O)[O-])c1ccccc1F)c1ccc(F)cc1 ZINC000825723891 601122277 /nfs/dbraw/zinc/12/22/77/601122277.db2.gz CYDZNCSMRUNNBB-QXPKXGMISA-N -1 0 332.302 3.737 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)NC2(CC(=O)[O-])CCC2)c1 ZINC000649539051 601126507 /nfs/dbraw/zinc/12/65/07/601126507.db2.gz ITDPKMFPBSXQHS-UHFFFAOYSA-N -1 0 334.416 3.630 20 0 EHADRM CCO[C@H](CCNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)C(C)C ZINC000829917883 601134056 /nfs/dbraw/zinc/13/40/56/601134056.db2.gz KFLHYAKCBMVOKY-CQSZACIVSA-N -1 0 342.823 3.611 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)cc1C(=O)[O-] ZINC000832946973 601139730 /nfs/dbraw/zinc/13/97/30/601139730.db2.gz MZNUGRWWYQJANO-HZPDHXFCSA-N -1 0 328.343 3.510 20 0 EHADRM Cc1ccc(NC(=O)N2CCc3sccc3[C@@H]2C)cc1C(=O)[O-] ZINC000320756789 601141116 /nfs/dbraw/zinc/14/11/16/601141116.db2.gz XSXVSJCIDIEISJ-NSHDSACASA-N -1 0 330.409 3.906 20 0 EHADRM Cc1ccc(NC(=O)N[C@H](C)c2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC000832946284 601141655 /nfs/dbraw/zinc/14/16/55/601141655.db2.gz FWEFDXGBPVNZKU-SNVBAGLBSA-N -1 0 334.322 3.854 20 0 EHADRM O=C([O-])CN(C(=O)c1cc2ccccc2s1)c1cccc(F)c1 ZINC000833245292 601144223 /nfs/dbraw/zinc/14/42/23/601144223.db2.gz CQGJLZSZNFHDEU-UHFFFAOYSA-N -1 0 329.352 3.772 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N(Cc2ccccc2)c2ccccn2)C1 ZINC000833184943 601149024 /nfs/dbraw/zinc/14/90/24/601149024.db2.gz IYWPRIJBRSHVKR-SJORKVTESA-N -1 0 338.407 3.506 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1cc(C)c(F)cc1F)c1ccccc1 ZINC000828595241 601152489 /nfs/dbraw/zinc/15/24/89/601152489.db2.gz UVMJGAWUAJZOPU-MRXNPFEDSA-N -1 0 333.334 3.783 20 0 EHADRM CCOc1cc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])ccc1C ZINC000236896296 601162221 /nfs/dbraw/zinc/16/22/21/601162221.db2.gz UCKYLDXYDVWSTG-RDTXWAMCSA-N -1 0 341.407 3.586 20 0 EHADRM C[C@H](CC(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-])c1cccc(F)c1 ZINC000262405262 601165852 /nfs/dbraw/zinc/16/58/52/601165852.db2.gz AQGLBPRRZVOZSG-TYILLQQXSA-N -1 0 343.398 3.898 20 0 EHADRM CN(Cc1cccc(O)c1)[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000830851927 601169687 /nfs/dbraw/zinc/16/96/87/601169687.db2.gz IXSMMQVMWZCFMG-HNNXBMFYSA-N -1 0 340.206 3.957 20 0 EHADRM CC(C)CCc1nc(COC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cs1 ZINC000826861187 601176098 /nfs/dbraw/zinc/17/60/98/601176098.db2.gz QEZHDQRDSAAMJU-QWHCGFSZSA-N -1 0 339.457 3.666 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)OCc2ccc(C(F)(F)F)cc2)C1 ZINC000833190393 601178864 /nfs/dbraw/zinc/17/88/64/601178864.db2.gz WXCASMONDQWHSE-NWDGAFQWSA-N -1 0 330.302 3.640 20 0 EHADRM C[C@@H](CN(C)C(=O)c1ccc(Oc2ccccc2Cl)cc1)C(=O)[O-] ZINC000827442192 601181923 /nfs/dbraw/zinc/18/19/23/601181923.db2.gz DNXQYSJVPJGGLC-LBPRGKRZSA-N -1 0 347.798 3.925 20 0 EHADRM Cc1ccc(-c2nc(COC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)cs2)o1 ZINC000832907894 601185620 /nfs/dbraw/zinc/18/56/20/601185620.db2.gz BADIFDBGVDNZGT-NEPJUHHUSA-N -1 0 349.408 3.646 20 0 EHADRM CCCCO[C@@H]1C[C@@H](NC(=O)Nc2cccc(NC(=O)[O-])c2)C1(C)C ZINC000829413926 601191765 /nfs/dbraw/zinc/19/17/65/601191765.db2.gz ZFHWIZAJNFYDSS-HUUCEWRRSA-N -1 0 349.431 3.882 20 0 EHADRM C[C@H]1[C@H](Cc2ccccc2)CCN1c1nc(Cl)c(C(=O)[O-])s1 ZINC000828151625 601200465 /nfs/dbraw/zinc/20/04/65/601200465.db2.gz XFHZMIGNERNKRK-JQWIXIFHSA-N -1 0 336.844 3.952 20 0 EHADRM C[C@H](CNc1nc(Cl)c(C(=O)[O-])s1)c1nc2ccccc2o1 ZINC000827512212 601201601 /nfs/dbraw/zinc/20/16/01/601201601.db2.gz KCBLQXNXYCFVFG-SSDOTTSWSA-N -1 0 337.788 3.852 20 0 EHADRM Cc1ccccc1Cc1noc(CNc2cccc(C(=O)[O-])c2C)n1 ZINC000832979096 601208258 /nfs/dbraw/zinc/20/82/58/601208258.db2.gz UKMKCXGHGPYFQK-UHFFFAOYSA-N -1 0 337.379 3.588 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000828213608 601222648 /nfs/dbraw/zinc/22/26/48/601222648.db2.gz BEMIBDBZSWSKTO-STQMWFEESA-N -1 0 334.416 3.824 20 0 EHADRM O=C([O-])Nc1ccccc1OS(=O)(=O)c1ccc2ccccc2c1 ZINC000833291159 601227198 /nfs/dbraw/zinc/22/71/98/601227198.db2.gz KZMFTXSUAYHJOA-UHFFFAOYSA-N -1 0 343.360 3.697 20 0 EHADRM O=C([O-])c1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)ccn1 ZINC000238182606 601241437 /nfs/dbraw/zinc/24/14/37/601241437.db2.gz RZBWSQNFIPSVTR-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)c1ccccc1 ZINC000237673080 601244161 /nfs/dbraw/zinc/24/41/61/601244161.db2.gz LARIKTMBHXEWGY-PRHODGIISA-N -1 0 341.194 3.513 20 0 EHADRM Cc1cc(NC(=O)C2CC(OCc3ccccc3)C2)sc1C(=O)[O-] ZINC000832893689 601268508 /nfs/dbraw/zinc/26/85/08/601268508.db2.gz XZNALIWJCNDQBK-UHFFFAOYSA-N -1 0 345.420 3.689 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CC3(CCCC3)c3ccccc32)s1 ZINC000238013890 601271010 /nfs/dbraw/zinc/27/10/10/601271010.db2.gz DLSISLPOBDKYDB-UHFFFAOYSA-N -1 0 327.405 3.919 20 0 EHADRM CCC1CCC(NC(=O)c2sccc2SC)(C(=O)[O-])CC1 ZINC000829101264 601276093 /nfs/dbraw/zinc/27/60/93/601276093.db2.gz LOJSLLPUHSZALF-UHFFFAOYSA-N -1 0 327.471 3.623 20 0 EHADRM O=C([O-])CCCCNC(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000773226613 601281090 /nfs/dbraw/zinc/28/10/90/601281090.db2.gz MNBCPNWNYJXACJ-RJAIZQQDSA-N -1 0 347.377 3.506 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)C/C=C\c1cccc(F)c1)c1ccccc1 ZINC000255029616 601283472 /nfs/dbraw/zinc/28/34/72/601283472.db2.gz ATOXNJUISHBFMW-YEODSOHDSA-N -1 0 341.382 3.951 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000236884263 601283558 /nfs/dbraw/zinc/28/35/58/601283558.db2.gz BPHJRROBBBSWAG-QGZVFWFLSA-N -1 0 341.407 3.808 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)C/C=C\c2cccc(F)c2)C(=O)[O-])cc1 ZINC000486403649 601284206 /nfs/dbraw/zinc/28/42/06/601284206.db2.gz HTFVNTXMFPKFLA-LKIHTYOGSA-N -1 0 341.382 3.522 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2c(Cl)cccc2Cl)c2ccccc21 ZINC000317099658 601284362 /nfs/dbraw/zinc/28/43/62/601284362.db2.gz PEXWGUBEPZGDGO-JTQLQIEISA-N -1 0 336.174 3.822 20 0 EHADRM C[C@@H](CN(C)C(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1)C(=O)[O-] ZINC000237370708 601284896 /nfs/dbraw/zinc/28/48/96/601284896.db2.gz WNKYEUILHASBQV-JTQLQIEISA-N -1 0 344.238 3.594 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1sc(-c2ccccc2)nc1C ZINC000262058881 601305195 /nfs/dbraw/zinc/30/51/95/601305195.db2.gz GUVDXKSJOBRDDK-UHFFFAOYSA-N -1 0 346.452 3.882 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Nc1cccc2[nH]ccc21)c1ccc(F)cc1 ZINC000738567347 601309962 /nfs/dbraw/zinc/30/99/62/601309962.db2.gz WQYDSLSIWDYZKU-INIZCTEOSA-N -1 0 341.342 3.645 20 0 EHADRM Cn1cc(NC(=O)Cc2coc3ccc4ccccc4c23)cc1C(=O)[O-] ZINC000833046980 601322531 /nfs/dbraw/zinc/32/25/31/601322531.db2.gz FJGZDEUNBNMECL-UHFFFAOYSA-N -1 0 348.358 3.804 20 0 EHADRM CC1(C)CN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)CCS1 ZINC000828074801 601328472 /nfs/dbraw/zinc/32/84/72/601328472.db2.gz RIEININIBPDIPQ-UHFFFAOYSA-N -1 0 348.493 3.836 20 0 EHADRM COc1cc2nc(/C=C/c3ccc(C(=O)[O-])[nH]3)sc2cc1OC ZINC000832111089 601331561 /nfs/dbraw/zinc/33/15/61/601331561.db2.gz BJNLRISZOGXYQA-GQCTYLIASA-N -1 0 330.365 3.510 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000828201575 601335483 /nfs/dbraw/zinc/33/54/83/601335483.db2.gz UQZDMPYAXPCJKG-CKEIUWERSA-N -1 0 346.427 3.725 20 0 EHADRM CO[C@H](C)c1nc(CSCc2cc(C(=O)[O-])c(C)o2)cs1 ZINC000831505272 601356391 /nfs/dbraw/zinc/35/63/91/601356391.db2.gz LDDIYFZHIGNZLS-SECBINFHSA-N -1 0 327.427 3.884 20 0 EHADRM C[C@@H](c1nc(COc2cccc(C(=O)[O-])c2)no1)c1ccccc1F ZINC000827965701 601364172 /nfs/dbraw/zinc/36/41/72/601364172.db2.gz HEACSELTSGDUIG-LLVKDONJSA-N -1 0 342.326 3.638 20 0 EHADRM CC[C@@H](NC(=S)NC(CC)(CC)CC(=O)[O-])c1cccs1 ZINC000828982642 601378107 /nfs/dbraw/zinc/37/81/07/601378107.db2.gz FVTJNEFLJVPOTD-LLVKDONJSA-N -1 0 328.503 3.697 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000128682291 601387351 /nfs/dbraw/zinc/38/73/51/601387351.db2.gz CMEAXCXCHVIUMR-CYBMUJFWSA-N -1 0 327.380 3.834 20 0 EHADRM CCOC(=O)c1cc(NCc2cc(C(=O)[O-])oc2C)ccc1Cl ZINC000829878346 601391000 /nfs/dbraw/zinc/39/10/00/601391000.db2.gz VCHBVIJIFJVYET-UHFFFAOYSA-N -1 0 337.759 3.728 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000828764770 601392001 /nfs/dbraw/zinc/39/20/01/601392001.db2.gz NECNFMIVDSZGBJ-LLVKDONJSA-N -1 0 331.343 3.954 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)Nc2cccc(OCC(=O)[O-])c2)cc1 ZINC000828764983 601394577 /nfs/dbraw/zinc/39/45/77/601394577.db2.gz RWCQKYCJJJXFDH-CYBMUJFWSA-N -1 0 343.379 3.580 20 0 EHADRM C[C@H](C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21)c1ccc(Cl)s1 ZINC000248535215 601395072 /nfs/dbraw/zinc/39/50/72/601395072.db2.gz KAYYLYZWNOIDRB-USZNOCQGSA-N -1 0 341.860 3.749 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000832948435 601408562 /nfs/dbraw/zinc/40/85/62/601408562.db2.gz NDRPXXKYGQJQEM-HNNXBMFYSA-N -1 0 332.787 3.986 20 0 EHADRM CC[C@@H](C)[C@@H](C)NC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000828709708 601413688 /nfs/dbraw/zinc/41/36/88/601413688.db2.gz SQAJLBUXCAUMOS-GYSYKLTISA-N -1 0 326.824 3.590 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN(C)Cc1nc(C(F)(F)F)cs1 ZINC000652433138 601422423 /nfs/dbraw/zinc/42/24/23/601422423.db2.gz TZCPGYBGMPQGFE-UHFFFAOYSA-N -1 0 348.346 3.648 20 0 EHADRM C/C(=C\COC(=O)C(C)(C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000825751725 601422630 /nfs/dbraw/zinc/42/26/30/601422630.db2.gz BUYJJRVADUPAHW-JXMROGBWSA-N -1 0 330.302 3.557 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000321893309 601424524 /nfs/dbraw/zinc/42/45/24/601424524.db2.gz VJCUZHLDFJERFL-GFCCVEGCSA-N -1 0 338.835 3.687 20 0 EHADRM Cc1oc(CN(C)C(=O)N[C@H](C)c2ccc(F)c(C)c2)cc1C(=O)[O-] ZINC000832870504 601426210 /nfs/dbraw/zinc/42/62/10/601426210.db2.gz IYYXNJGUSNFRLK-LLVKDONJSA-N -1 0 348.374 3.636 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1C[C@H]2CCCC[C@@H]2C1)C(=O)[O-] ZINC000237552033 601429637 /nfs/dbraw/zinc/42/96/37/601429637.db2.gz XUYPBEVQPJCWKP-BFHYXJOUSA-N -1 0 333.453 3.514 20 0 EHADRM CC[C@@H](Oc1ccccc1F)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000829021834 601437037 /nfs/dbraw/zinc/43/70/37/601437037.db2.gz ZAYRFINJIQFJMB-CQSZACIVSA-N -1 0 332.331 3.712 20 0 EHADRM C/C(=C/C(=O)NC1(CC(=O)[O-])CCC1)c1ccc(C(F)(F)F)cc1 ZINC000776630420 601438646 /nfs/dbraw/zinc/43/86/46/601438646.db2.gz VOYMWJSASQEZID-LUAWRHEFSA-N -1 0 341.329 3.622 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)OCc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000832220975 601442123 /nfs/dbraw/zinc/44/21/23/601442123.db2.gz ONQGYBMBMFWPED-NSHDSACASA-N -1 0 332.352 3.532 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000666361576 601445486 /nfs/dbraw/zinc/44/54/86/601445486.db2.gz CEUICHPKTLFOLB-KGLIPLIRSA-N -1 0 347.436 3.546 20 0 EHADRM CC(C)c1ccc(-c2nc(CN3CC[C@](F)(C(=O)[O-])C3)cs2)cc1 ZINC000827111937 601447278 /nfs/dbraw/zinc/44/72/78/601447278.db2.gz ASMNMMYFNXMNPT-GOSISDBHSA-N -1 0 348.443 3.932 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)[C@@H](C)c3ccsc3)ccc2n1C ZINC000832851582 601450711 /nfs/dbraw/zinc/45/07/11/601450711.db2.gz UVEBMNGJDCSLKL-JTQLQIEISA-N -1 0 343.404 3.956 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000237016153 601458302 /nfs/dbraw/zinc/45/83/02/601458302.db2.gz VVIZEMKQGSXEBC-PSLIRLAXSA-N -1 0 348.226 3.520 20 0 EHADRM COc1cc(F)c([C@@H](C)OC(=O)c2ccc(C(=O)[O-])s2)c(F)c1 ZINC000832004818 601460552 /nfs/dbraw/zinc/46/05/52/601460552.db2.gz WJUOEMQAKLHCDM-SSDOTTSWSA-N -1 0 342.319 3.651 20 0 EHADRM C[C@@H](OC(=O)c1c[nH]nc1C1CCCCC1)c1ccc(C(=O)[O-])o1 ZINC000827843321 601464693 /nfs/dbraw/zinc/46/46/93/601464693.db2.gz DRECNCOWNVCZOK-SNVBAGLBSA-N -1 0 332.356 3.667 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)CCOc1ccc(Cl)cc1Cl ZINC000237093737 601469865 /nfs/dbraw/zinc/46/98/65/601469865.db2.gz JRSDICVNGWYGMM-OAHLLOKOSA-N -1 0 348.226 3.522 20 0 EHADRM O=C([O-])[C@H](OC(=O)C/C=C\c1cccc(F)c1)c1ccc(F)cc1 ZINC000833096435 601472373 /nfs/dbraw/zinc/47/23/73/601472373.db2.gz PTEGJQFAYMITNV-POKLJVKSSA-N -1 0 332.302 3.737 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000825798739 601472759 /nfs/dbraw/zinc/47/27/59/601472759.db2.gz VVEVSMYCNBPEMG-SNGWPZLWSA-N -1 0 332.302 3.737 20 0 EHADRM C[C@@H](C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000262157394 601475925 /nfs/dbraw/zinc/47/59/25/601475925.db2.gz NRFNCGFDQONQRI-PXAZEXFGSA-N -1 0 343.810 3.654 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N(C[C@H]2CCCO2)C2CCCC2)cc1 ZINC000833285152 601479275 /nfs/dbraw/zinc/47/92/75/601479275.db2.gz AQHGUPDKSQJJPU-MRXNPFEDSA-N -1 0 347.415 3.732 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2ccccc2SC(F)(F)F)CCC1 ZINC000833203908 601479957 /nfs/dbraw/zinc/47/99/57/601479957.db2.gz PGZXUXLLKBXOLE-UHFFFAOYSA-N -1 0 348.346 3.817 20 0 EHADRM Cc1cc(OC(C)C)ccc1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000656602191 601485668 /nfs/dbraw/zinc/48/56/68/601485668.db2.gz WERABACVKLSIJN-UHFFFAOYSA-N -1 0 348.443 3.891 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)/C=C2\CC[C@H](C)C2)cc1 ZINC000832777445 601501186 /nfs/dbraw/zinc/50/11/86/601501186.db2.gz MYTBBJJMFYRKRY-MBNSDTPSSA-N -1 0 333.453 3.787 20 0 EHADRM CC(C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F)=C1CCCC1 ZINC000825977663 601503393 /nfs/dbraw/zinc/50/33/93/601503393.db2.gz LWJDECUGCSWSSQ-UHFFFAOYSA-N -1 0 337.366 3.659 20 0 EHADRM Cc1cc(C(=O)N(C(C)C)C2CCCCC2)cc(C)c1OCC(=O)[O-] ZINC000832858712 601537659 /nfs/dbraw/zinc/53/76/59/601537659.db2.gz FJPRBMZRSTVAQM-UHFFFAOYSA-N -1 0 347.455 3.950 20 0 EHADRM O=C([O-])CCCCNC(=O)N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000666558636 601555543 /nfs/dbraw/zinc/55/55/43/601555543.db2.gz IVRHAERYMKDHON-JKGDOXCYSA-N -1 0 344.455 3.909 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)C1(Cc2ccccc2)CC1)c1ccccc1 ZINC000833223464 601557432 /nfs/dbraw/zinc/55/74/32/601557432.db2.gz ONNOKZRWVNJBLG-SFHVURJKSA-N -1 0 337.419 3.732 20 0 EHADRM Cc1cc(C(=O)N2CCC3(C2)CCCCC3)cc(C)c1OCC(=O)[O-] ZINC000237848660 601567083 /nfs/dbraw/zinc/56/70/83/601567083.db2.gz WYVCRDJHZWKIPJ-UHFFFAOYSA-N -1 0 345.439 3.563 20 0 EHADRM C[C@H](Sc1ccccn1)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000827920979 601572151 /nfs/dbraw/zinc/57/21/51/601572151.db2.gz AJARFGUICNHYBE-VIFPVBQESA-N -1 0 336.800 3.553 20 0 EHADRM Cc1ccccc1Nc1nc(CN2CCCC[C@@H]2C(=O)[O-])cs1 ZINC000568054586 601575656 /nfs/dbraw/zinc/57/56/56/601575656.db2.gz WTVYSLSZYSGPPC-OAHLLOKOSA-N -1 0 331.441 3.634 20 0 EHADRM C[C@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000538465482 601581169 /nfs/dbraw/zinc/58/11/69/601581169.db2.gz AZTLPENJGJYQNA-PIGZYNQJSA-N -1 0 349.789 3.915 20 0 EHADRM Cc1ccc2oc(C(=O)N[C@@H](C(=O)[O-])c3ccc(Cl)cc3)cc2c1 ZINC000538465694 601583300 /nfs/dbraw/zinc/58/33/00/601583300.db2.gz MHCMMAVQZWJDRS-MRXNPFEDSA-N -1 0 343.766 3.950 20 0 EHADRM Cc1nc(Cl)sc1C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000833001063 601591237 /nfs/dbraw/zinc/59/12/37/601591237.db2.gz UJBGNGFMJKRPRD-SECBINFHSA-N -1 0 346.191 3.741 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)Nc1ccccc1Cl)c1ccccc1 ZINC000826039051 601603271 /nfs/dbraw/zinc/60/32/71/601603271.db2.gz LGSDJVNHXSUKCN-NHYWBVRUSA-N -1 0 332.787 3.924 20 0 EHADRM O=C([O-])C1(CNC(=O)C(c2ccccc2)c2ccccc2)CCCC1 ZINC000676024057 601603434 /nfs/dbraw/zinc/60/34/34/601603434.db2.gz SHLJTIYMCCXNDD-UHFFFAOYSA-N -1 0 337.419 3.580 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cc(F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000833350044 601608537 /nfs/dbraw/zinc/60/85/37/601608537.db2.gz IKDQPSPWEILDFD-ZDUSSCGKSA-N -1 0 342.244 3.827 20 0 EHADRM C[C@@H](OC(=O)CCCc1ccc(F)c(F)c1)c1ccc(C(=O)[O-])o1 ZINC000827833150 601608894 /nfs/dbraw/zinc/60/88/94/601608894.db2.gz FVYZDOWKDIBNQM-SNVBAGLBSA-N -1 0 338.306 3.883 20 0 EHADRM O=C([O-])[C@@H](OC(=O)CCCc1ccc(F)c(F)c1)c1ccccc1 ZINC000833098342 601609598 /nfs/dbraw/zinc/60/95/98/601609598.db2.gz PIOMYAURJYNOIV-KRWDZBQOSA-N -1 0 334.318 3.657 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1cccc(OC2CCCC2)c1 ZINC000238100406 601612675 /nfs/dbraw/zinc/61/26/75/601612675.db2.gz OYSDIVWJQCPZEM-UHFFFAOYSA-N -1 0 339.391 3.887 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000238078135 601612967 /nfs/dbraw/zinc/61/29/67/601612967.db2.gz GTPSXFSNAJNRIH-UHFFFAOYSA-N -1 0 337.297 3.514 20 0 EHADRM Cc1oc(CS(=O)(=O)CCC2C[C@@H](C)C[C@H](C)C2)cc1C(=O)[O-] ZINC000833028072 601613342 /nfs/dbraw/zinc/61/33/42/601613342.db2.gz ZYSBLSQTHQDYQF-RYUDHWBXSA-N -1 0 342.457 3.663 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1nc(-c2ccccc2)cs1 ZINC000738629704 601613618 /nfs/dbraw/zinc/61/36/18/601613618.db2.gz QPHXCCSAWXLFSL-UHFFFAOYSA-N -1 0 338.388 3.690 20 0 EHADRM Cc1ccc(C)c(NC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000832926462 601614407 /nfs/dbraw/zinc/61/44/07/601614407.db2.gz REQUCBBOJXTECC-RHSMWYFYSA-N -1 0 326.396 3.887 20 0 EHADRM CC(C)CCOc1ccc(C(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000236783381 601616301 /nfs/dbraw/zinc/61/63/01/601616301.db2.gz LHPRULQRTYPIDU-UHFFFAOYSA-N -1 0 341.407 3.991 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cccc(F)c1F)c1ccc(Cl)cc1 ZINC000833265218 601619444 /nfs/dbraw/zinc/61/94/44/601619444.db2.gz ZCAOWAFFIFRPLU-ZDUSSCGKSA-N -1 0 339.725 3.564 20 0 EHADRM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)c1cccc(F)c1 ZINC000345918239 601621305 /nfs/dbraw/zinc/62/13/05/601621305.db2.gz YZSCDOFATBFSLA-BZNIZROVSA-N -1 0 349.789 3.915 20 0 EHADRM C[C@H](CNC(=O)Nc1ccccc1Oc1ccc(Cl)cc1)C(=O)[O-] ZINC000827493137 601621639 /nfs/dbraw/zinc/62/16/39/601621639.db2.gz MEGRTDMHOWQFGA-LLVKDONJSA-N -1 0 348.786 3.975 20 0 EHADRM O=C([O-])C[C@H](NC(=O)/C=C\c1ccsc1)c1ccc(Cl)cc1 ZINC000492368242 601622027 /nfs/dbraw/zinc/62/20/27/601622027.db2.gz RICQNWQGYGTATC-HFDGLISDSA-N -1 0 335.812 3.747 20 0 EHADRM O=C([O-])C[C@H](NC(=O)/C=C/c1ccsc1)c1ccc(Cl)cc1 ZINC000492368243 601622158 /nfs/dbraw/zinc/62/21/58/601622158.db2.gz RICQNWQGYGTATC-UWTJGZSJSA-N -1 0 335.812 3.747 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)Nc1cccc(CCC(F)(F)F)c1)C1CC1 ZINC000833199584 601628661 /nfs/dbraw/zinc/62/86/61/601628661.db2.gz UIRBEKAONQUPEW-CYBMUJFWSA-N -1 0 344.333 3.556 20 0 EHADRM O=C([O-])c1ccc(COc2ccc(Cl)cc2[N+](=O)[O-])cc1F ZINC000318920307 601629263 /nfs/dbraw/zinc/62/92/63/601629263.db2.gz XICAIWXJGVURMA-UHFFFAOYSA-N -1 0 325.679 3.665 20 0 EHADRM C[C@H](CC(=O)N1CCCC[C@@H]1C(=O)[O-])c1ccccc1C(F)(F)F ZINC000136514294 601630095 /nfs/dbraw/zinc/63/00/95/601630095.db2.gz SCFKWBMDFVNYDG-BXUZGUMPSA-N -1 0 343.345 3.665 20 0 EHADRM CC(C)c1ccc(-c2nc(C(=O)N(CC(=O)[O-])C3CC3)cs2)cc1 ZINC000236849035 601636192 /nfs/dbraw/zinc/63/61/92/601636192.db2.gz RIOANVALHBLUAG-UHFFFAOYSA-N -1 0 344.436 3.623 20 0 EHADRM COc1ccc2c(c1)nccc2OCc1ccc(C(=O)[O-])c(F)c1 ZINC000832487043 601636539 /nfs/dbraw/zinc/63/65/39/601636539.db2.gz MTKPHBBJQVYDFN-UHFFFAOYSA-N -1 0 327.311 3.660 20 0 EHADRM O=C([O-])CN(C(=O)c1sc2cccc(Cl)c2c1Cl)C1CC1 ZINC000833248376 601637282 /nfs/dbraw/zinc/63/72/82/601637282.db2.gz SXFSJOZZOWXSNU-UHFFFAOYSA-N -1 0 344.219 3.897 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)CCCc2ccc(F)c(F)c2)cc1 ZINC000347110243 601645384 /nfs/dbraw/zinc/64/53/84/601645384.db2.gz QRYKMHYDUVSJCY-UHFFFAOYSA-N -1 0 333.334 3.553 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NCc1coc(-c2cccs2)n1)c1ccccc1 ZINC000826055007 601652640 /nfs/dbraw/zinc/65/26/40/601652640.db2.gz UMTYHABWJXNUQL-BLLLJJGKSA-N -1 0 342.420 3.955 20 0 EHADRM O=C([O-])C1(NC(=O)CCCc2csc3ccccc23)CCCC1 ZINC000237923091 601658908 /nfs/dbraw/zinc/65/89/08/601658908.db2.gz XRQGBNACKWCPLD-UHFFFAOYSA-N -1 0 331.437 3.738 20 0 EHADRM CC[C@@](C)(NC(=O)CCCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000262201887 601672193 /nfs/dbraw/zinc/67/21/93/601672193.db2.gz SFNTYYVYWXFODD-CYBMUJFWSA-N -1 0 338.256 3.747 20 0 EHADRM CCCC[C@H](NC(=O)NCCc1ccc(NC(=O)[O-])cc1)C1CCC1 ZINC000829295523 601674204 /nfs/dbraw/zinc/67/42/04/601674204.db2.gz GVFTYATZBULUNS-KRWDZBQOSA-N -1 0 347.459 3.977 20 0 EHADRM COc1ccc(OCCSCc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000832444918 601675186 /nfs/dbraw/zinc/67/51/86/601675186.db2.gz YULGRPCRLYVKMT-UHFFFAOYSA-N -1 0 336.384 3.845 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000833158498 601675693 /nfs/dbraw/zinc/67/56/93/601675693.db2.gz KLWZVSQNCPUIQV-UHFFFAOYSA-N -1 0 345.223 3.934 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)CCSc2ccccn2)c1 ZINC000833100882 601679616 /nfs/dbraw/zinc/67/96/16/601679616.db2.gz JKWXZJQFYLVWTA-UHFFFAOYSA-N -1 0 336.800 3.554 20 0 EHADRM O=C([O-])CCN(C(=O)[C@H]1C[C@H]1Cc1ccccc1)c1cccc(F)c1 ZINC000833231934 601681877 /nfs/dbraw/zinc/68/18/77/601681877.db2.gz GSEGQIJSTWAKSL-QAPCUYQASA-N -1 0 341.382 3.512 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCC(c3cccc(F)c3)CC2)cc1 ZINC000833320571 601691993 /nfs/dbraw/zinc/69/19/93/601691993.db2.gz YUKUYOCRNYMZOL-UHFFFAOYSA-N -1 0 342.370 3.935 20 0 EHADRM C[C@@H]1CN(C(=O)CC2CCC(c3ccccc3)CC2)C[C@@H]1C(=O)[O-] ZINC000828334677 601702668 /nfs/dbraw/zinc/70/26/68/601702668.db2.gz PFUHSVQODYXGHP-RYKRPPSOSA-N -1 0 329.440 3.530 20 0 EHADRM Cc1cc(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)sc1-c1ccc(F)cc1 ZINC000262914446 601706878 /nfs/dbraw/zinc/70/68/78/601706878.db2.gz GDLLNBARUPQSNI-BXUZGUMPSA-N -1 0 347.411 3.655 20 0 EHADRM CCC[C@@H]1C[C@H]1NC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000829255498 601718733 /nfs/dbraw/zinc/71/87/33/601718733.db2.gz ITFSYCOELZEJSV-UKRRQHHQSA-N -1 0 336.457 3.705 20 0 EHADRM Cc1ccccc1OCCCC(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000832979913 601721152 /nfs/dbraw/zinc/72/11/52/601721152.db2.gz YPOXUDDRGJYPEL-UHFFFAOYSA-N -1 0 346.354 3.735 20 0 EHADRM COc1ccc(F)c(NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])c1 ZINC000345795032 601726828 /nfs/dbraw/zinc/72/68/28/601726828.db2.gz IBNVJXBQRJGYOE-JTQLQIEISA-N -1 0 349.383 3.652 20 0 EHADRM COc1cccc([C@H](C)CC(=O)OCc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000832529253 601734338 /nfs/dbraw/zinc/73/43/38/601734338.db2.gz WVMDNJYHEVMMQI-GFCCVEGCSA-N -1 0 346.354 3.770 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000828759525 601741125 /nfs/dbraw/zinc/74/11/25/601741125.db2.gz VMESLJGSMJBVDR-PXAZEXFGSA-N -1 0 345.370 3.559 20 0 EHADRM Cc1ccc(C(=O)Nc2nc(CCCC(=O)[O-])cs2)cc1Cl ZINC000316128278 601742711 /nfs/dbraw/zinc/74/27/11/601742711.db2.gz LJLSHZKWJRDWTH-UHFFFAOYSA-N -1 0 338.816 3.765 20 0 EHADRM Cc1nn(Cc2c(Cl)ccc3cccnc32)c(C)c1[C@H](C)C(=O)[O-] ZINC000833016821 601779613 /nfs/dbraw/zinc/77/96/13/601779613.db2.gz JAPRYNPTPDZYEP-JTQLQIEISA-N -1 0 343.814 3.938 20 0 EHADRM CC[C@H](NC(=S)N1CCC(CCC(=O)[O-])CC1)c1cccs1 ZINC000828983478 601793740 /nfs/dbraw/zinc/79/37/40/601793740.db2.gz VOJFFLWDVSDQJQ-ZDUSSCGKSA-N -1 0 340.514 3.651 20 0 EHADRM Cc1cc(CCCC(=O)NCCc2ccc(C(=O)[O-])cc2)c(C)s1 ZINC000237605762 601800934 /nfs/dbraw/zinc/80/09/34/601800934.db2.gz NUCAGYOPFRDUNO-UHFFFAOYSA-N -1 0 345.464 3.745 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2cccc(Cl)c2o1)c1ccccc1 ZINC000238017353 601802262 /nfs/dbraw/zinc/80/22/62/601802262.db2.gz JAHBEIYXMODTDN-AWEZNQCLSA-N -1 0 329.739 3.642 20 0 EHADRM Cc1cc(CCCC(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c(C)s1 ZINC000192948516 601803111 /nfs/dbraw/zinc/80/31/11/601803111.db2.gz WDBQMTYORFPLMA-MRXNPFEDSA-N -1 0 343.448 3.903 20 0 EHADRM C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c1ccc2ccccc2c1 ZINC000194925818 601803122 /nfs/dbraw/zinc/80/31/22/601803122.db2.gz IIVQVYYGBINGPA-YWZLYKJASA-N -1 0 347.414 3.755 20 0 EHADRM Cc1cc(CCCC(=O)Oc2ccccc2CC(=O)[O-])c(C)s1 ZINC000832881550 601804693 /nfs/dbraw/zinc/80/46/93/601804693.db2.gz GAFYWDLPKSDGJV-UHFFFAOYSA-N -1 0 332.421 3.920 20 0 EHADRM Cc1nc(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])c2ccccn12 ZINC000738346651 601808706 /nfs/dbraw/zinc/80/87/06/601808706.db2.gz GJNLPJQHRJTZPU-UHFFFAOYSA-N -1 0 341.392 3.532 20 0 EHADRM Cc1cc(CCCC(=O)NC[C@H](CC(C)C)C(=O)[O-])c(C)s1 ZINC000262117603 601811833 /nfs/dbraw/zinc/81/18/33/601811833.db2.gz IMGGYTAAEMGIET-HNNXBMFYSA-N -1 0 325.474 3.551 20 0 EHADRM C[C@H]1CC(CCSCc2noc(CCC(=O)[O-])n2)C[C@H](C)C1 ZINC000828159982 601812836 /nfs/dbraw/zinc/81/28/36/601812836.db2.gz DMGXCBLCFFJCFY-VXGBXAGGSA-N -1 0 326.462 3.782 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCC[C@@]3(CCCc4ccccc43)C2)c1 ZINC000833327260 601813706 /nfs/dbraw/zinc/81/37/06/601813706.db2.gz DDUUPDFBNSDOGA-QFIPXVFZSA-N -1 0 349.430 3.895 20 0 EHADRM CCc1ccccc1NC(=O)CSCc1ccc(C(=O)[O-])c(F)c1 ZINC000830281800 601813933 /nfs/dbraw/zinc/81/39/33/601813933.db2.gz BKNSCECRLJPSTB-UHFFFAOYSA-N -1 0 347.411 3.958 20 0 EHADRM C[C@@H]1CCC[C@@H](C)N1C(=O)CSCc1ccc(C(=O)[O-])c(F)c1 ZINC000828237647 601813939 /nfs/dbraw/zinc/81/39/39/601813939.db2.gz CQSKNCRWMVYAMG-VXGBXAGGSA-N -1 0 339.432 3.547 20 0 EHADRM CC(C)Sc1ccc(C(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000539683395 601820657 /nfs/dbraw/zinc/82/06/57/601820657.db2.gz PXDILZDQYOVUHH-UHFFFAOYSA-N -1 0 335.469 3.904 20 0 EHADRM CC(C)CC(CC(C)C)NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000659396010 601826455 /nfs/dbraw/zinc/82/64/55/601826455.db2.gz CRKIPWWKMYILKJ-UHFFFAOYSA-N -1 0 326.481 3.734 20 0 EHADRM C[C@@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)C(C)(C)c1ccccc1 ZINC000659396024 601826534 /nfs/dbraw/zinc/82/65/34/601826534.db2.gz DCJLPPGAYBOWGQ-OAHLLOKOSA-N -1 0 346.471 3.639 20 0 EHADRM COC(=O)c1cc(NCc2nc(C(C)(C)C)cs2)cc(C(=O)[O-])c1 ZINC000831323274 601828148 /nfs/dbraw/zinc/82/81/48/601828148.db2.gz VODRBIBMXUPJKM-UHFFFAOYSA-N -1 0 348.424 3.538 20 0 EHADRM O=C([O-])[C@H](OC(=O)CCc1ccoc1)c1ccc(Cl)cc1Cl ZINC000833103143 601846882 /nfs/dbraw/zinc/84/68/82/601846882.db2.gz BEOYJSSWRZWSGF-CQSZACIVSA-N -1 0 343.162 3.888 20 0 EHADRM C[C@H](SCc1ccc(C(=O)[O-])s1)C(=O)N(C)Cc1ccccc1 ZINC000827908199 601847191 /nfs/dbraw/zinc/84/71/91/601847191.db2.gz GUIWJIJSRHHVMX-LBPRGKRZSA-N -1 0 349.477 3.727 20 0 EHADRM O=C([O-])c1ccc(CSCc2nnc(-c3ccccc3)o2)s1 ZINC000833316341 601847412 /nfs/dbraw/zinc/84/74/12/601847412.db2.gz ANGXTLCKKATTDI-UHFFFAOYSA-N -1 0 332.406 3.930 20 0 EHADRM CC(C)(NC(=O)[O-])C(=O)Nc1ccc(Oc2ccncc2)c(Cl)c1 ZINC000736337236 601852922 /nfs/dbraw/zinc/85/29/22/601852922.db2.gz OBJTZYMUWSQGJB-UHFFFAOYSA-N -1 0 349.774 3.512 20 0 EHADRM C[C@@H](c1ccccc1)n1ccc(N[C@@H](C(=O)[O-])c2ccccc2F)n1 ZINC000827949330 601853788 /nfs/dbraw/zinc/85/37/88/601853788.db2.gz KVOFCPKQMDRMAP-SCLBCKFNSA-N -1 0 339.370 3.869 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cncc(-c2ccccc2)c1)C1CCCCC1 ZINC000833124315 601871030 /nfs/dbraw/zinc/87/10/30/601871030.db2.gz ZMSGMHKMFMAVLD-SFHVURJKSA-N -1 0 338.407 3.512 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)Cc2cccc(Cl)c2)cc1 ZINC000833264510 601871561 /nfs/dbraw/zinc/87/15/61/601871561.db2.gz UANNIDAYTQHRFV-UHFFFAOYSA-N -1 0 336.796 3.665 20 0 EHADRM CC(C)N(CCC(=O)N1CCC[C@@H]1c1ccccc1Cl)C(=O)[O-] ZINC000738839740 601876130 /nfs/dbraw/zinc/87/61/30/601876130.db2.gz OULORBUGDTYDJT-OAHLLOKOSA-N -1 0 338.835 3.782 20 0 EHADRM CC[C@H](NC(=O)NCc1cccc(C(=O)[O-])c1)c1cc(F)ccc1F ZINC000828951398 601881063 /nfs/dbraw/zinc/88/10/63/601881063.db2.gz MRAPUXRDHKCSHP-INIZCTEOSA-N -1 0 348.349 3.614 20 0 EHADRM CCC[C@H]1CCCN(C(=O)c2ccccc2S[C@@H](C)C(=O)[O-])C1 ZINC000191620517 601891169 /nfs/dbraw/zinc/89/11/69/601891169.db2.gz XNHSAVUZKFWZRG-KBPBESRZSA-N -1 0 335.469 3.904 20 0 EHADRM O=C([O-])c1ccc(CSCC(=O)NCCC2CCCCC2)s1 ZINC000833116278 601912299 /nfs/dbraw/zinc/91/22/99/601912299.db2.gz ZCNQHRLTRLAGAX-UHFFFAOYSA-N -1 0 341.498 3.766 20 0 EHADRM CC[C@H](NC(=O)[O-])C(=O)N1CCC(c2cccc3ccccc32)CC1 ZINC000739523198 601930941 /nfs/dbraw/zinc/93/09/41/601930941.db2.gz IWPXPQWDJMISMF-SFHVURJKSA-N -1 0 340.423 3.592 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)N[C@@H]2COc3c2cccc3Cl)c1 ZINC000833288831 601941342 /nfs/dbraw/zinc/94/13/42/601941342.db2.gz MWVOYGATRCUYBO-CYBMUJFWSA-N -1 0 347.758 3.685 20 0 EHADRM O=C([O-])Nc1cc(C(=O)NCc2ccccc2)cc(C(F)(F)F)c1 ZINC000833281680 601950751 /nfs/dbraw/zinc/95/07/51/601950751.db2.gz MBOPNTRWQCYWNX-UHFFFAOYSA-N -1 0 338.285 3.725 20 0 EHADRM CC(C)c1nc(C2(NCc3ccc(C(=O)[O-])s3)CCCC2)no1 ZINC000827144983 601959392 /nfs/dbraw/zinc/95/93/92/601959392.db2.gz ZQPYDEOAJZFDFJ-UHFFFAOYSA-N -1 0 335.429 3.512 20 0 EHADRM O=C([O-])CCCCCCCNS(=O)(=O)c1cccc2ccccc21 ZINC000403163587 601963940 /nfs/dbraw/zinc/96/39/40/601963940.db2.gz WTUMHZGXYRAKLC-UHFFFAOYSA-N -1 0 349.452 3.543 20 0 EHADRM CN(C(=O)[O-])[C@@H]1CCCN(Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000739586211 601970110 /nfs/dbraw/zinc/97/01/10/601970110.db2.gz FPFLNUBWJFMPAB-OAHLLOKOSA-N -1 0 349.818 3.569 20 0 EHADRM CN(C(=O)[O-])[C@H]1CCCN(Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000739586209 601970123 /nfs/dbraw/zinc/97/01/23/601970123.db2.gz FPFLNUBWJFMPAB-HNNXBMFYSA-N -1 0 349.818 3.569 20 0 EHADRM CCN(CC(C)C)C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000829642351 601970547 /nfs/dbraw/zinc/97/05/47/601970547.db2.gz JXDMLFISVVVTOU-UHFFFAOYSA-N -1 0 332.322 3.913 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)COC/C=C/c2ccccc2)ccc1F ZINC000833283495 601995855 /nfs/dbraw/zinc/99/58/55/601995855.db2.gz KTXQPBCDISSPCC-QPJJXVBHSA-N -1 0 344.342 3.584 20 0 EHADRM Cc1ccc2c(CC(=O)OCc3ccc(C(=O)[O-])s3)coc2c1 ZINC000832959339 601998224 /nfs/dbraw/zinc/99/82/24/601998224.db2.gz GJEMOSUZMVTVTL-UHFFFAOYSA-N -1 0 330.361 3.787 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)s1 ZINC000833315391 602010259 /nfs/dbraw/zinc/01/02/59/602010259.db2.gz QWLJCQGMDVYAPV-NXEZZACHSA-N -1 0 338.331 3.571 20 0 EHADRM CC1(C)C[C@H]1CNC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000828055369 602010841 /nfs/dbraw/zinc/01/08/41/602010841.db2.gz CXVPQOMEUKMYKQ-JTQLQIEISA-N -1 0 330.306 3.571 20 0 EHADRM O=C([O-])c1ccc(COC(=O)Cc2c[nH]c3ccc(Cl)cc23)s1 ZINC000833116553 602011625 /nfs/dbraw/zinc/01/16/25/602011625.db2.gz DQPFHLRYRVQVDE-UHFFFAOYSA-N -1 0 349.795 3.867 20 0 EHADRM O=C([O-])c1ccc(COC(=O)CCCc2ccc(F)c(F)c2)s1 ZINC000833098195 602013283 /nfs/dbraw/zinc/01/32/83/602013283.db2.gz KOKJHEBWVKFXJT-UHFFFAOYSA-N -1 0 340.347 3.791 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)COC/C=C\c2ccccc2)c1 ZINC000833112448 602016126 /nfs/dbraw/zinc/01/61/26/602016126.db2.gz MFJPUYSASMEYAE-DAXSKMNVSA-N -1 0 345.782 3.707 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)Nc1cc(F)ccc1F ZINC000833152500 602025804 /nfs/dbraw/zinc/02/58/04/602025804.db2.gz DVCNBJXJZFWRAL-DGCLKSJQSA-N -1 0 326.343 3.510 20 0 EHADRM Cc1nc2ccc(NC(=O)N[C@@H]3CCCCCC[C@@H]3C(=O)[O-])cc2o1 ZINC000833006684 602028665 /nfs/dbraw/zinc/02/86/65/602028665.db2.gz SKCFKOGEKQQEEE-UONOGXRCSA-N -1 0 345.399 3.681 20 0 EHADRM CCOCc1cccc(NC(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])c1 ZINC000830022609 602037243 /nfs/dbraw/zinc/03/72/43/602037243.db2.gz WLOVZCRHSOSYLB-SJORKVTESA-N -1 0 348.443 3.768 20 0 EHADRM COc1ccc(NC(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])c(C)c1 ZINC000832404373 602037435 /nfs/dbraw/zinc/03/74/35/602037435.db2.gz WMYNDNQTHGATPV-ZBFHGGJFSA-N -1 0 334.416 3.549 20 0 EHADRM C[C@H]1CC[C@H](C)N1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000828214759 602038806 /nfs/dbraw/zinc/03/88/06/602038806.db2.gz RYGKVOQAYZIKFL-STQMWFEESA-N -1 0 336.457 3.799 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(F)cc2C(=O)[O-])c(Cl)cc1F ZINC000832865254 602051990 /nfs/dbraw/zinc/05/19/90/602051990.db2.gz XJCKRUVTZGEYKB-UHFFFAOYSA-N -1 0 325.698 3.877 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)N[C@@H]1CCCc2ccccc21 ZINC000403080679 602054684 /nfs/dbraw/zinc/05/46/84/602054684.db2.gz ZNHWCFSLFPTYSR-QGZVFWFLSA-N -1 0 332.444 3.788 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)CCCCCc2ccc(O)cc2)c1 ZINC000833097066 602060164 /nfs/dbraw/zinc/06/01/64/602060164.db2.gz DRGQFISTKVFMCL-UHFFFAOYSA-N -1 0 341.407 3.510 20 0 EHADRM C[C@H](NC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccc(C(C)(C)C)cc1 ZINC000263142525 602061274 /nfs/dbraw/zinc/06/12/74/602061274.db2.gz ZYBPQJCPLXMIGI-DJJJIMSYSA-N -1 0 332.444 3.551 20 0 EHADRM Cc1nc2ccccc2c(C)c1CC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000237757365 602067720 /nfs/dbraw/zinc/06/77/20/602067720.db2.gz GECMAJAQNYWEGC-UHFFFAOYSA-N -1 0 348.402 3.660 20 0 EHADRM Cc1c(Br)cccc1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000088440449 602070000 /nfs/dbraw/zinc/07/00/00/602070000.db2.gz VZJSOCYSFTVMOW-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2cnc(-c3ccccc3)s2)c1 ZINC000345783299 602070469 /nfs/dbraw/zinc/07/04/69/602070469.db2.gz QNZWQFYAWOTBCQ-UHFFFAOYSA-N -1 0 338.388 3.690 20 0 EHADRM CC(C)COc1cccc(C(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000261620915 602071239 /nfs/dbraw/zinc/07/12/39/602071239.db2.gz GCNLRBAGGUSAPS-UHFFFAOYSA-N -1 0 327.380 3.601 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2cccc(Oc3ccncc3)c2)c1 ZINC000532694878 602078381 /nfs/dbraw/zinc/07/83/81/602078381.db2.gz BYODPPUFRFFXKB-UHFFFAOYSA-N -1 0 348.358 3.753 20 0 EHADRM O=C([O-])[C@@H](OC(=O)[C@@H]1CCCS1)c1cc(Cl)cc(Cl)c1 ZINC000833348286 602088588 /nfs/dbraw/zinc/08/85/88/602088588.db2.gz RQMOKQVNTNKQMW-QWRGUYRKSA-N -1 0 335.208 3.558 20 0 EHADRM CCO[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(NC(=O)[O-])c2)C12CCC2 ZINC000829917041 602094188 /nfs/dbraw/zinc/09/41/88/602094188.db2.gz AFQLKXLJIMAGQS-CABCVRRESA-N -1 0 347.415 3.588 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000827256615 602106583 /nfs/dbraw/zinc/10/65/83/602106583.db2.gz JLIITARIPCJHLS-RNCFNFMXSA-N -1 0 330.211 3.768 20 0 EHADRM Cc1ccc2c(CC(=O)Nc3cc(NC(=O)[O-])ccc3F)c[nH]c2c1 ZINC000740159998 602112555 /nfs/dbraw/zinc/11/25/55/602112555.db2.gz RHUDICLAWGPQHM-UHFFFAOYSA-N -1 0 341.342 3.887 20 0 EHADRM C[C@@H](COc1ccccc1)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000827524306 602137010 /nfs/dbraw/zinc/13/70/10/602137010.db2.gz GGHFZHPAZZYNBT-NSHDSACASA-N -1 0 332.331 3.569 20 0 EHADRM CCC(=O)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000828574165 602140720 /nfs/dbraw/zinc/14/07/20/602140720.db2.gz JZAAOHWVPWGXOG-KRWDZBQOSA-N -1 0 339.391 3.615 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2ccc3sccc3c2)c1 ZINC000386197844 602142745 /nfs/dbraw/zinc/14/27/45/602142745.db2.gz DIDWEYNDDALNLW-UHFFFAOYSA-N -1 0 327.361 3.860 20 0 EHADRM CCC(=O)c1ccc(C(=O)N(c2ccccc2)[C@@H](CC)C(=O)[O-])cc1 ZINC000828574190 602144724 /nfs/dbraw/zinc/14/47/24/602144724.db2.gz LBFIVLNYAYGYRQ-KRWDZBQOSA-N -1 0 339.391 3.789 20 0 EHADRM CCC(=O)c1ccc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC000828574174 602154274 /nfs/dbraw/zinc/15/42/74/602154274.db2.gz KJLZWCFHFZGUFG-UHFFFAOYSA-N -1 0 339.391 3.894 20 0 EHADRM Cc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c1F ZINC000832963743 602156985 /nfs/dbraw/zinc/15/69/85/602156985.db2.gz LQGVGXLMQOAHDB-AWEZNQCLSA-N -1 0 335.762 3.733 20 0 EHADRM CCS[C@@H](C)c1noc(CNc2ccc(Cl)c(C(=O)[O-])c2)n1 ZINC000830151354 602161933 /nfs/dbraw/zinc/16/19/33/602161933.db2.gz YPDWPVJTSPLICQ-QMMMGPOBSA-N -1 0 341.820 3.847 20 0 EHADRM COc1cccc(C2(NC(=O)Nc3cc(C(=O)[O-])ccc3C)CC2)c1 ZINC000832540463 602165376 /nfs/dbraw/zinc/16/53/76/602165376.db2.gz OCYSYLULAMDPEG-UHFFFAOYSA-N -1 0 340.379 3.513 20 0 EHADRM Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)[C@H](C)CC(=O)[O-] ZINC000832984412 602168040 /nfs/dbraw/zinc/16/80/40/602168040.db2.gz PNWGUFMQVVEWDY-UKRRQHHQSA-N -1 0 331.437 3.567 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000740716657 602177484 /nfs/dbraw/zinc/17/74/84/602177484.db2.gz XYGFYOVNDUWIIH-UHFFFAOYSA-N -1 0 340.314 3.558 20 0 EHADRM CCS[C@H](C)c1noc(CSCc2cc(C(=O)[O-])c(C)o2)n1 ZINC000830149109 602178749 /nfs/dbraw/zinc/17/87/49/602178749.db2.gz DIMQPCLDTUNEMO-SECBINFHSA-N -1 0 342.442 3.917 20 0 EHADRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])cs2)c2c(n1)onc2C(C)C ZINC000832865043 602179228 /nfs/dbraw/zinc/17/92/28/602179228.db2.gz JXKIWEFICSXBFZ-UHFFFAOYSA-N -1 0 345.380 3.667 20 0 EHADRM O=C([O-])c1csc(NC(=O)CSCc2cccc(Cl)c2)c1 ZINC000191347469 602185410 /nfs/dbraw/zinc/18/54/10/602185410.db2.gz MOKBVPXEIOLQGG-UHFFFAOYSA-N -1 0 341.841 3.972 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2csc(-c3ccccc3F)n2)c1 ZINC000191341265 602185457 /nfs/dbraw/zinc/18/54/57/602185457.db2.gz UEYVHMPVJTWNIL-UHFFFAOYSA-N -1 0 348.380 3.961 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000649353177 602187514 /nfs/dbraw/zinc/18/75/14/602187514.db2.gz BUVYNALORRFTTR-COXVUDFISA-N -1 0 340.423 3.643 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)/C=C/Sc2ccccc2)c1 ZINC000740674639 602201594 /nfs/dbraw/zinc/20/15/94/602201594.db2.gz UEABCTPARYVUHV-MDZDMXLPSA-N -1 0 328.393 3.699 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)CCc2cccc(Cl)c2)c1 ZINC000740676503 602202159 /nfs/dbraw/zinc/20/21/59/602202159.db2.gz PKBZZJAGLCZTBH-UHFFFAOYSA-N -1 0 332.787 3.679 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)/C=C/c2ccc(Cl)s2)c1 ZINC000740674709 602202608 /nfs/dbraw/zinc/20/26/08/602202608.db2.gz VDCRIDVXAKIOCO-FNORWQNLSA-N -1 0 336.800 3.821 20 0 EHADRM CCCC1(CNC(=O)Nc2ccc(OCCC(=O)[O-])cc2)CCC1 ZINC000829245262 602202985 /nfs/dbraw/zinc/20/29/85/602202985.db2.gz HDKISFPANWAWAQ-UHFFFAOYSA-N -1 0 334.416 3.632 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)N2CCC3(CCC3)C2)c1 ZINC000833238884 602207299 /nfs/dbraw/zinc/20/72/99/602207299.db2.gz AHJLSDASUHFENS-UHFFFAOYSA-N -1 0 348.468 3.802 20 0 EHADRM CC[C@H](C)CN(C)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000828747502 602229190 /nfs/dbraw/zinc/22/91/90/602229190.db2.gz QAYDQQWYBYQVHS-ZDUSSCGKSA-N -1 0 344.411 3.813 20 0 EHADRM CCCCN(C)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000829380713 602229447 /nfs/dbraw/zinc/22/94/47/602229447.db2.gz AVOPXANPGIYMGE-UHFFFAOYSA-N -1 0 330.384 3.567 20 0 EHADRM Cc1ccc(-c2cccc(CNC(=O)[C@@H](NC(=O)[O-])C(C)C)c2)cc1 ZINC000832905600 602234100 /nfs/dbraw/zinc/23/41/00/602234100.db2.gz CXTBGUHUMLNSAU-SFHVURJKSA-N -1 0 340.423 3.570 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)c2csc(C(C)(C)C)n2)c1 ZINC000739918376 602235198 /nfs/dbraw/zinc/23/51/98/602235198.db2.gz SESSKSVTFOWPJL-UHFFFAOYSA-N -1 0 349.412 3.791 20 0 EHADRM Cc1cccc(OC(F)F)c1NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000738310357 602235908 /nfs/dbraw/zinc/23/59/08/602235908.db2.gz JTEWBCOLBXHGLV-UHFFFAOYSA-N -1 0 336.294 3.939 20 0 EHADRM CCn1c(SCc2ccc(C(=O)[O-])o2)nnc1-c1ccc(F)cc1 ZINC000830416407 602239549 /nfs/dbraw/zinc/23/95/49/602239549.db2.gz UJBVVDPJIBSFIQ-UHFFFAOYSA-N -1 0 347.371 3.688 20 0 EHADRM CCCC[C@H](Sc1nnc(-c2ccc(F)cc2)n1CC)C(=O)[O-] ZINC000829296321 602239667 /nfs/dbraw/zinc/23/96/67/602239667.db2.gz QKHIBNKZMXQEBT-ZDUSSCGKSA-N -1 0 337.420 3.840 20 0 EHADRM COc1ccc(NC(=O)Cc2cc(C)ccc2C)cc1NC(=O)[O-] ZINC000739920201 602240391 /nfs/dbraw/zinc/24/03/91/602240391.db2.gz CXGYSAUDSDCKML-UHFFFAOYSA-N -1 0 328.368 3.583 20 0 EHADRM O=C([O-])NC1(C(=O)Nc2cc(C(F)(F)F)ccc2F)CCCCC1 ZINC000740541982 602242092 /nfs/dbraw/zinc/24/20/92/602242092.db2.gz UIBHNSRGNAGVHA-UHFFFAOYSA-N -1 0 348.296 3.754 20 0 EHADRM CSc1ccccc1C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000740023328 602243843 /nfs/dbraw/zinc/24/38/43/602243843.db2.gz QJOQXFFNLNQFSE-UHFFFAOYSA-N -1 0 328.393 3.701 20 0 EHADRM CC(C)c1nc(C(=O)Nc2cccc(CN(C)C(=O)[O-])c2)cs1 ZINC000738879400 602244909 /nfs/dbraw/zinc/24/49/09/602244909.db2.gz NPXIFBWBSJJBNR-UHFFFAOYSA-N -1 0 333.413 3.629 20 0 EHADRM Cc1ccc(C)c(CC(=O)Nc2ccccc2CN(C)C(=O)[O-])c1 ZINC000740116406 602250129 /nfs/dbraw/zinc/25/01/29/602250129.db2.gz KPDIQQHLFAEPLW-UHFFFAOYSA-N -1 0 326.396 3.594 20 0 EHADRM CC(F)(F)CCC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000827603331 602258181 /nfs/dbraw/zinc/25/81/81/602258181.db2.gz MMEUXOGDRUYZTI-UHFFFAOYSA-N -1 0 337.322 3.677 20 0 EHADRM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000832891528 602263919 /nfs/dbraw/zinc/26/39/19/602263919.db2.gz XFFYTGIPLOYQFT-YOEHRIQHSA-N -1 0 347.459 3.605 20 0 EHADRM Cc1cccc(CN(C)C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])c1 ZINC000740172188 602278053 /nfs/dbraw/zinc/27/80/53/602278053.db2.gz XTBWHHUWTCBLSN-UHFFFAOYSA-N -1 0 339.395 3.699 20 0 EHADRM CN(Cc1ccccc1F)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739712302 602278726 /nfs/dbraw/zinc/27/87/26/602278726.db2.gz VYNJSORPSANHHR-UHFFFAOYSA-N -1 0 343.358 3.530 20 0 EHADRM CC(C)Sc1ccccc1NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000827072853 602282016 /nfs/dbraw/zinc/28/20/16/602282016.db2.gz KGHJHPDRJGZXET-CYBMUJFWSA-N -1 0 348.468 3.906 20 0 EHADRM CC(C)Sc1ccccc1NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000827072854 602282093 /nfs/dbraw/zinc/28/20/93/602282093.db2.gz KGHJHPDRJGZXET-ZDUSSCGKSA-N -1 0 348.468 3.906 20 0 EHADRM Cc1cc(C(=O)CCC(=O)Nc2cc(C(=O)[O-])cs2)c(C)s1 ZINC000192917757 602283809 /nfs/dbraw/zinc/28/38/09/602283809.db2.gz CXGLTPSHDMTKFU-UHFFFAOYSA-N -1 0 337.422 3.726 20 0 EHADRM CCCn1c(C)cc(-c2csc(NC(=O)[C@@H](C)CC(=O)[O-])n2)c1C ZINC000829580173 602289714 /nfs/dbraw/zinc/28/97/14/602289714.db2.gz QHERSVZQMNLRHU-JTQLQIEISA-N -1 0 349.456 3.688 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2ccc3c(c2)CCC3)cc1F ZINC000833320541 602301260 /nfs/dbraw/zinc/30/12/60/602301260.db2.gz SFOLHIUUPLLKLG-UHFFFAOYSA-N -1 0 330.384 3.822 20 0 EHADRM Cc1ccc2c(CNc3ccc(C(=O)[O-])c(F)c3)cc(=O)oc2c1 ZINC000832961521 602302461 /nfs/dbraw/zinc/30/24/61/602302461.db2.gz DMENSMRYWKVMQA-UHFFFAOYSA-N -1 0 327.311 3.551 20 0 EHADRM CC[C@H](NC(=O)[O-])C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 ZINC000739534700 602302727 /nfs/dbraw/zinc/30/27/27/602302727.db2.gz OZOJVXNBSKPPMM-AWEZNQCLSA-N -1 0 334.322 3.617 20 0 EHADRM COc1cc(NC(=O)c2cccc3c2ccn3C)ccc1NC(=O)[O-] ZINC000739870672 602307415 /nfs/dbraw/zinc/30/74/15/602307415.db2.gz VMMJQMLOINYQIW-UHFFFAOYSA-N -1 0 339.351 3.529 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@H]1COc2ccc(Cl)cc21 ZINC000832916567 602309454 /nfs/dbraw/zinc/30/94/54/602309454.db2.gz WNXDVBPFPIRFQT-AWEZNQCLSA-N -1 0 346.770 3.602 20 0 EHADRM CCC(=CC(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1)CC ZINC000828549565 602312554 /nfs/dbraw/zinc/31/25/54/602312554.db2.gz MOYUZMRDJSKDGR-UHFFFAOYSA-N -1 0 325.355 3.515 20 0 EHADRM CCCNc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)CC(=O)[O-] ZINC000829519755 602317617 /nfs/dbraw/zinc/31/76/17/602317617.db2.gz RBACEDKBXDOTNZ-VIFPVBQESA-N -1 0 332.322 3.577 20 0 EHADRM CC[C@H](Cc1ccccc1)N(CC)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000499166678 602329065 /nfs/dbraw/zinc/32/90/65/602329065.db2.gz FKCAOJINDMRVQW-KZNAEPCWSA-N -1 0 331.456 3.747 20 0 EHADRM Cc1nc(CNC[C@@H](NC(=O)[O-])c2ccc(C(C)C)cc2)cs1 ZINC000740223699 602335729 /nfs/dbraw/zinc/33/57/29/602335729.db2.gz LOHACNFLGDJHEZ-MRXNPFEDSA-N -1 0 333.457 3.673 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)C3(NC(=O)[O-])CCCC3)c2)cs1 ZINC000740206849 602345977 /nfs/dbraw/zinc/34/59/77/602345977.db2.gz GLVGHXRTYMZEFO-UHFFFAOYSA-N -1 0 345.424 3.637 20 0 EHADRM O=C([O-])NCCCNC(=O)c1sc2cccc(Cl)c2c1Cl ZINC000740651659 602347730 /nfs/dbraw/zinc/34/77/30/602347730.db2.gz JARQCJQXBMIDSP-UHFFFAOYSA-N -1 0 347.223 3.596 20 0 EHADRM Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000767200753 602354798 /nfs/dbraw/zinc/35/47/98/602354798.db2.gz VMGMBDOSYBZBJO-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM COc1ccc(S[C@H](C)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000767201920 602355000 /nfs/dbraw/zinc/35/50/00/602355000.db2.gz VURSPWNOGYAHRD-SNVBAGLBSA-N -1 0 349.383 3.652 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(Br)cc2)cc1F ZINC000224824673 602355661 /nfs/dbraw/zinc/35/56/61/602355661.db2.gz ZPDZMCZAUVCOOA-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)s1 ZINC000767200521 602356068 /nfs/dbraw/zinc/35/60/68/602356068.db2.gz IUBCEKDQINFYIS-UHFFFAOYSA-N -1 0 345.298 3.748 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(C(=O)[O-])c(F)c1)C(=O)c1cccc(F)c1 ZINC000827234905 602356580 /nfs/dbraw/zinc/35/65/80/602356580.db2.gz JJDMXZUMMLLISH-JTQLQIEISA-N -1 0 347.317 3.511 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CSc2ccc(F)c(F)c2)cc1F ZINC000323145285 602357987 /nfs/dbraw/zinc/35/79/87/602357987.db2.gz LCSGZHZEDNILAW-UHFFFAOYSA-N -1 0 341.310 3.533 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccc(OC)cc1 ZINC000828951146 602369144 /nfs/dbraw/zinc/36/91/44/602369144.db2.gz DXMPZVZBNPHSBB-INIZCTEOSA-N -1 0 346.358 3.805 20 0 EHADRM CN(CC1CCN(c2nc(-c3ccccc3)cs2)CC1)C(=O)[O-] ZINC000739663764 602375074 /nfs/dbraw/zinc/37/50/74/602375074.db2.gz MBFQLIHNVJMNSG-UHFFFAOYSA-N -1 0 331.441 3.636 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NC2(Cc3ccccc3)CCC2)cc1F ZINC000833154573 602379210 /nfs/dbraw/zinc/37/92/10/602379210.db2.gz YCZGYVMAVYUHKF-UHFFFAOYSA-N -1 0 342.370 3.811 20 0 EHADRM CCS[C@@H]1CCCCN(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000830164407 602384326 /nfs/dbraw/zinc/38/43/26/602384326.db2.gz VZJIEWQXOQBFTL-GFCCVEGCSA-N -1 0 340.420 3.663 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2(c3cccc(F)c3)CCC2)cc1F ZINC000767206697 602393823 /nfs/dbraw/zinc/39/38/23/602393823.db2.gz DARQZSIUHLANLM-UHFFFAOYSA-N -1 0 331.318 3.723 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(COc2ccc(Cl)cc2)n1 ZINC000738822431 602407753 /nfs/dbraw/zinc/40/77/53/602407753.db2.gz JBDJYZFQUIJGBO-GFCCVEGCSA-N -1 0 339.779 3.657 20 0 EHADRM CCc1cccc(CC)c1NC(=O)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000739540455 602408338 /nfs/dbraw/zinc/40/83/38/602408338.db2.gz GZQAMDVZRAUCGC-UHFFFAOYSA-N -1 0 347.459 3.665 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(CC(C)(C)c2ccccc2)n1 ZINC000738817414 602408895 /nfs/dbraw/zinc/40/88/95/602408895.db2.gz RESIJEALIKLZDG-CQSZACIVSA-N -1 0 331.416 3.945 20 0 EHADRM Cc1ccc2[nH]c(-c3nc(C4(NC(=O)[O-])CCCC4)no3)cc2c1 ZINC000740158121 602411482 /nfs/dbraw/zinc/41/14/82/602411482.db2.gz HAPUMLDBLOLCAW-UHFFFAOYSA-N -1 0 326.356 3.563 20 0 EHADRM O=C([O-])NC1(c2noc([C@@H]3CCCc4ccccc43)n2)CCCC1 ZINC000740549953 602411838 /nfs/dbraw/zinc/41/18/38/602411838.db2.gz MCFSTIYAOOZGOT-CQSZACIVSA-N -1 0 327.384 3.575 20 0 EHADRM O=C([O-])NC1(c2noc(-c3cc(Cl)ccc3Cl)n2)CCC1 ZINC000740549106 602416240 /nfs/dbraw/zinc/41/62/40/602416240.db2.gz XHJNNEIWQQUXBC-UHFFFAOYSA-N -1 0 328.155 3.690 20 0 EHADRM CCCN(C(=S)Nc1ccc(Cl)cc1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739346866 602431440 /nfs/dbraw/zinc/43/14/40/602431440.db2.gz RTFFRFPATOZCQE-ZDUSSCGKSA-N -1 0 341.864 3.501 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000740114620 602457556 /nfs/dbraw/zinc/45/75/56/602457556.db2.gz SRQTZKGYNRNVNY-CRAIPNDOSA-N -1 0 340.423 3.961 20 0 EHADRM CN(C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1)c1ccc(F)c(F)c1 ZINC000739574072 602463883 /nfs/dbraw/zinc/46/38/83/602463883.db2.gz NYUOOSZSEXPALY-MRXNPFEDSA-N -1 0 348.349 3.717 20 0 EHADRM CCCc1ccc(NC(=O)N2CCC([C@@H](C)NC(=O)[O-])CC2)cc1 ZINC000739374318 602465399 /nfs/dbraw/zinc/46/53/99/602465399.db2.gz PWXKSAYAKVMVOH-CYBMUJFWSA-N -1 0 333.432 3.539 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)Nc1cccc2[nH]ccc21)c1ccccc1 ZINC000740541153 602470819 /nfs/dbraw/zinc/47/08/19/602470819.db2.gz XMYXDLCXCOCWKV-OAHLLOKOSA-N -1 0 337.379 3.896 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)Cc1ccccc1Br ZINC000740715801 602474549 /nfs/dbraw/zinc/47/45/49/602474549.db2.gz PFJIXFVUZRFCGN-UHFFFAOYSA-N -1 0 349.184 3.720 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2ccc(OC(F)F)cc2)ccc1F ZINC000740697095 602481266 /nfs/dbraw/zinc/48/12/66/602481266.db2.gz FPSNSZRWVKPQAF-UHFFFAOYSA-N -1 0 340.257 3.769 20 0 EHADRM CCN(C(=O)c1ccc(F)c(NC(=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000739380576 602483936 /nfs/dbraw/zinc/48/39/36/602483936.db2.gz MLXUHLKXLJOLLE-UHFFFAOYSA-N -1 0 338.285 3.861 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(F)c(NC(=O)[O-])c2)[C@H]2CCCC[C@@H]12 ZINC000739112347 602484557 /nfs/dbraw/zinc/48/45/57/602484557.db2.gz HMYPSJHEIZQUCK-FFSVYQOJSA-N -1 0 334.391 3.956 20 0 EHADRM CCC(=O)Nc1ccc(NC(=O)c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000739211535 602484584 /nfs/dbraw/zinc/48/45/84/602484584.db2.gz YOFBZZKBHQNNGT-UHFFFAOYSA-N -1 0 345.330 3.516 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CCC[C@H]2c2ccsc2)ccc1F ZINC000740692897 602484893 /nfs/dbraw/zinc/48/48/93/602484893.db2.gz JMYJIIGXTQBHDG-AWEZNQCLSA-N -1 0 334.372 3.954 20 0 EHADRM CN(Cc1ccc(F)cc1Cl)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000737477020 602488442 /nfs/dbraw/zinc/48/84/42/602488442.db2.gz PNBJGCJMAKXBSX-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CCC[C@H]2c2ccccc2)ccc1F ZINC000740693132 602495930 /nfs/dbraw/zinc/49/59/30/602495930.db2.gz PKIKFKAXSUOBCB-INIZCTEOSA-N -1 0 328.343 3.893 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CCC[C@@H]2c2ccccc2)ccc1F ZINC000740693133 602495996 /nfs/dbraw/zinc/49/59/96/602495996.db2.gz PKIKFKAXSUOBCB-MRXNPFEDSA-N -1 0 328.343 3.893 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)ccc1F ZINC000740695251 602496310 /nfs/dbraw/zinc/49/63/10/602496310.db2.gz GURJKJZWUHLHOP-UWVGGRQHSA-N -1 0 348.296 3.767 20 0 EHADRM O=C([O-])Nc1cc(C(=O)OCc2cc(-c3ccco3)on2)ccc1F ZINC000740696049 602549895 /nfs/dbraw/zinc/54/98/95/602549895.db2.gz YMJCMVZCOQLFTG-UHFFFAOYSA-N -1 0 346.270 3.521 20 0 EHADRM C[C@@H](Nc1ccc2c(c1)CN(C(=O)[O-])CC2)c1nc(C(C)(C)C)no1 ZINC000739035086 602570456 /nfs/dbraw/zinc/57/04/56/602570456.db2.gz DMMLSWZKCGEAFS-LLVKDONJSA-N -1 0 344.415 3.576 20 0 EHADRM CC(C)CCc1ccc(NC(=O)N2CCC[C@H](CNC(=O)[O-])C2)cc1 ZINC000738821736 602593387 /nfs/dbraw/zinc/59/33/87/602593387.db2.gz MFBXKABSYOBPCS-MRXNPFEDSA-N -1 0 347.459 3.787 20 0 EHADRM Cc1cc(NC(=O)N2CCC[C@H]([C@@H]3CCCN3C(=O)[O-])C2)ccc1F ZINC000740086083 602597564 /nfs/dbraw/zinc/59/75/64/602597564.db2.gz JWWRAQWDPQWUNR-BBRMVZONSA-N -1 0 349.406 3.520 20 0 EHADRM CC(C)c1nc(CCNC(=O)Nc2ccc(NC(=O)[O-])cc2)cs1 ZINC000736524584 602599116 /nfs/dbraw/zinc/59/91/16/602599116.db2.gz FNENHPWJYSFFHB-UHFFFAOYSA-N -1 0 348.428 3.721 20 0 EHADRM Cc1ccc(OCCNC(=O)Nc2ccc(NC(=O)[O-])cc2)c(C)c1 ZINC000740146992 602600412 /nfs/dbraw/zinc/60/04/12/602600412.db2.gz UYOZCWUXJXCQQU-UHFFFAOYSA-N -1 0 343.383 3.594 20 0 EHADRM Cc1cc(Cl)ccc1S(=O)(=O)Nc1ccccc1NC(=O)[O-] ZINC000740081185 602652926 /nfs/dbraw/zinc/65/29/26/602652926.db2.gz GGTKGIPFONNSFA-UHFFFAOYSA-N -1 0 340.788 3.539 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)OC[C@@H]1CC1(Cl)Cl)c1ccccc1 ZINC000740540567 602657633 /nfs/dbraw/zinc/65/76/33/602657633.db2.gz RZXLPPCQTFCVTQ-NWDGAFQWSA-N -1 0 346.210 3.513 20 0 EHADRM Cc1nc(C2(NC(=O)[O-])CCCC2)sc1C(=O)Nc1ccccc1 ZINC000740222399 602685302 /nfs/dbraw/zinc/68/53/02/602685302.db2.gz RGBMDQXCQLAMBY-UHFFFAOYSA-N -1 0 345.424 3.741 20 0 EHADRM Cc1ccc(F)c2c1CCCN2C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000740128818 602713791 /nfs/dbraw/zinc/71/37/91/602713791.db2.gz BAVYYZFFPXLCBP-UHFFFAOYSA-N -1 0 346.333 3.956 20 0 EHADRM Cc1cccc2sc(NC(=O)[C@@H](NC(=O)[O-])c3ccccc3)nc21 ZINC000740178062 602723854 /nfs/dbraw/zinc/72/38/54/602723854.db2.gz GVLWGTOSKOCZQC-AWEZNQCLSA-N -1 0 341.392 3.552 20 0 EHADRM Cc1cc(Nc2ccc3c(c2)CCN3C(=O)[O-])nc(-c2ccccn2)n1 ZINC000740089607 602735160 /nfs/dbraw/zinc/73/51/60/602735160.db2.gz SNGSOSMKXKOIQX-UHFFFAOYSA-N -1 0 347.378 3.631 20 0 EHADRM O=C([O-])Nc1cc2ccccc2cc1C(=O)OCC1CCOCC1 ZINC000740695508 602739100 /nfs/dbraw/zinc/73/91/00/602739100.db2.gz SRYGFXXYVNEWGE-UHFFFAOYSA-N -1 0 329.352 3.513 20 0 EHADRM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)c1sccc1-c1ccccc1 ZINC000740622222 602767823 /nfs/dbraw/zinc/76/78/23/602767823.db2.gz BPZPGUGGJPDSQU-ZFWWWQNUSA-N -1 0 344.436 3.581 20 0 EHADRM CC(C)C[C@@H]1CCCN1C(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000824225138 602781278 /nfs/dbraw/zinc/78/12/78/602781278.db2.gz PXRNSQHHMQNRLQ-XIRDDKMYSA-N -1 0 332.444 3.669 20 0 EHADRM Cc1cccc(C2(C(=O)Nc3cc(NC(=O)[O-])ccc3F)CC2)c1 ZINC000740166938 602784417 /nfs/dbraw/zinc/78/44/17/602784417.db2.gz XFQUKDJZUCIWHV-UHFFFAOYSA-N -1 0 328.343 3.894 20 0 EHADRM CC(C)(CCC(=O)O[C@@H](c1ccccc1)c1ccccn1)NC(=O)[O-] ZINC000738744236 602787660 /nfs/dbraw/zinc/78/76/60/602787660.db2.gz HXBDHEAXEULZPB-KRWDZBQOSA-N -1 0 342.395 3.541 20 0 EHADRM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CCC(C)(C)NC(=O)[O-] ZINC000738893339 602788973 /nfs/dbraw/zinc/78/89/73/602788973.db2.gz XZPFCBKQAZKTTN-CQSZACIVSA-N -1 0 332.444 3.640 20 0 EHADRM COc1ccc(N(CC(C)C)C(=O)CCC(C)(C)NC(=O)[O-])cc1 ZINC000739910398 602789748 /nfs/dbraw/zinc/78/97/48/602789748.db2.gz NHNVEIACIHZDPG-UHFFFAOYSA-N -1 0 336.432 3.511 20 0 EHADRM Cc1ccc(N(C(=O)CCC(C)(C)NC(=O)[O-])C2CCCCC2)nc1 ZINC000740129626 602804705 /nfs/dbraw/zinc/80/47/05/602804705.db2.gz LMIBRWNMLMGECQ-UHFFFAOYSA-N -1 0 347.459 3.882 20 0 EHADRM O=C([O-])NC[C@H](C(=O)Nc1cccc(C(F)F)c1)c1ccccc1 ZINC000832414629 602811124 /nfs/dbraw/zinc/81/11/24/602811124.db2.gz JNLRHFVXFPTPOW-AWEZNQCLSA-N -1 0 334.322 3.614 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)N1C2CCCC1CCC2)c1ccccc1 ZINC000740533639 602812600 /nfs/dbraw/zinc/81/26/00/602812600.db2.gz RDGNZDLOCMZINF-OFLPRAFFSA-N -1 0 330.428 3.709 20 0 EHADRM Cc1ccc([C@@H](C)CNC(=O)c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000740111994 602814934 /nfs/dbraw/zinc/81/49/34/602814934.db2.gz YKCFJNFWVBPUBO-LBPRGKRZSA-N -1 0 330.359 3.758 20 0 EHADRM Cc1ccc(C[C@H](C)N(C)C(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000738584181 602815524 /nfs/dbraw/zinc/81/55/24/602815524.db2.gz HCWWNNBPOCDFKK-AWEZNQCLSA-N -1 0 326.396 3.788 20 0 EHADRM Cc1ccc(C(=O)Nc2ccnn2C2CCCC2)cc1NC(=O)[O-] ZINC000830234055 602816118 /nfs/dbraw/zinc/81/61/18/602816118.db2.gz LNIJYKGPJCISGW-UHFFFAOYSA-N -1 0 328.372 3.649 20 0 EHADRM Cc1cc(C)cc(C[C@@H](C)NC(=O)Cc2ccc(NC(=O)[O-])cc2)c1 ZINC000740066545 602817252 /nfs/dbraw/zinc/81/72/52/602817252.db2.gz LORLMCAMLMJOHZ-OAHLLOKOSA-N -1 0 340.423 3.683 20 0 EHADRM Cc1ccc([C@H]2CCCCCN2C(=O)CCC(C)(C)NC(=O)[O-])o1 ZINC000740119496 602820522 /nfs/dbraw/zinc/82/05/22/602820522.db2.gz XAQNJWNLJUKBDE-CQSZACIVSA-N -1 0 336.432 3.858 20 0 EHADRM CC[C@H](CC(=O)N1CCC[C@@H](CN(C)C(=O)[O-])C1)c1ccc(C)cc1 ZINC000739249703 602825621 /nfs/dbraw/zinc/82/56/21/602825621.db2.gz OJWDGUIRRQTUFX-DLBZAZTESA-N -1 0 346.471 3.727 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)N2CCC(N(C)C(=O)[O-])CC2)cc1 ZINC000737651867 602834249 /nfs/dbraw/zinc/83/42/49/602834249.db2.gz STZJDCHNRJCHGA-HNNXBMFYSA-N -1 0 346.471 3.904 20 0 EHADRM C[C@@H](C(=O)N(C1CC1)C1CCCC1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823654441 602848563 /nfs/dbraw/zinc/84/85/63/602848563.db2.gz JSWMBTWHMMHAED-CXAGYDPISA-N -1 0 330.428 3.565 20 0 EHADRM CCCN(C[C@H]1CCCCO1)C(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000826907614 602874251 /nfs/dbraw/zinc/87/42/51/602874251.db2.gz RAORFGXAHMQHKB-OAHLLOKOSA-N -1 0 334.416 3.506 20 0 EHADRM C[C@@H](NC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000823714667 602881329 /nfs/dbraw/zinc/88/13/29/602881329.db2.gz QMODDHKZTCUKMY-JJRVBVJISA-N -1 0 326.396 3.509 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)N2CCCC[C@H]2c2ccco2)cc1 ZINC000740702244 602881840 /nfs/dbraw/zinc/88/18/40/602881840.db2.gz WKLTXIGEXGTAHS-HNNXBMFYSA-N -1 0 328.368 3.666 20 0 EHADRM CC(C)[C@@H](C(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccccc1 ZINC000824054891 602905226 /nfs/dbraw/zinc/90/52/26/602905226.db2.gz DCPZHVGCMTWJBV-QGZVFWFLSA-N -1 0 326.396 3.833 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)OCc2ccc(Cl)nc2)c(Cl)c1 ZINC000740702058 602906122 /nfs/dbraw/zinc/90/61/22/602906122.db2.gz SNILTHGDYJRIJJ-UHFFFAOYSA-N -1 0 341.150 3.835 20 0 EHADRM CCS[C@H]1CCCCN(C(=O)c2ccc(C)c(NC(=O)[O-])c2)C1 ZINC000827505080 602917465 /nfs/dbraw/zinc/91/74/65/602917465.db2.gz ZSBZJPDZRICMDN-AWEZNQCLSA-N -1 0 336.457 3.833 20 0 EHADRM Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1ccc(CNC(=O)[O-])o1 ZINC000830552729 602920943 /nfs/dbraw/zinc/92/09/43/602920943.db2.gz AZEPSDTWXZSIMH-MRXNPFEDSA-N -1 0 344.411 3.873 20 0 EHADRM CC(C)c1cccc(NC(=S)NC2CCC(NC(=O)[O-])CC2)c1 ZINC000738878783 602930596 /nfs/dbraw/zinc/93/05/96/602930596.db2.gz ZDHCDDKJQTWPIY-UHFFFAOYSA-N -1 0 335.473 3.675 20 0 EHADRM CCc1cccc(CC)c1NC(=S)NC1CCC(NC(=O)[O-])CC1 ZINC000739541215 602930749 /nfs/dbraw/zinc/93/07/49/602930749.db2.gz KVVSYUIBFNDJPG-UHFFFAOYSA-N -1 0 349.500 3.677 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C(=O)CC(C)(C)NC(=O)[O-])C1CC1 ZINC000739053552 602949977 /nfs/dbraw/zinc/94/99/77/602949977.db2.gz LVDVBYLSDRHEJL-LLVKDONJSA-N -1 0 338.835 3.828 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(C)c(NC(=O)[O-])c2)o1 ZINC000830281458 602952972 /nfs/dbraw/zinc/95/29/72/602952972.db2.gz GVMUCOFNVXIHSQ-HNNXBMFYSA-N -1 0 328.368 3.964 20 0 EHADRM Cc1cccc([C@H](C)C(=O)Nc2cccc(CN(C)C(=O)[O-])c2)c1 ZINC000740156868 602954746 /nfs/dbraw/zinc/95/47/46/602954746.db2.gz DNXKASGKJAKTEH-AWEZNQCLSA-N -1 0 326.396 3.847 20 0 EHADRM Cc1ncsc1COC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000740244904 602963468 /nfs/dbraw/zinc/96/34/68/602963468.db2.gz FWEWHNWWGZSGOA-UHFFFAOYSA-N -1 0 326.761 3.552 20 0 EHADRM CSc1ccc(O[C@@H](C)C(=O)Oc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738145288 602967859 /nfs/dbraw/zinc/96/78/59/602967859.db2.gz JHXAUVSOQLZDQT-NSHDSACASA-N -1 0 347.392 3.871 20 0 EHADRM Cc1cccc([C@H](C)CNC(=O)c2ccc(C)c(NC(=O)[O-])c2)c1 ZINC000830471081 602987984 /nfs/dbraw/zinc/98/79/84/602987984.db2.gz DWAKKKAELLEIQZ-CQSZACIVSA-N -1 0 326.396 3.927 20 0 EHADRM O=C([O-])N1CCC(CC(=O)Nc2ccccc2CC(F)(F)F)CC1 ZINC000740349939 602996056 /nfs/dbraw/zinc/99/60/56/602996056.db2.gz LURXYWOMXDRDPM-UHFFFAOYSA-N -1 0 344.333 3.510 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(-c2ccc(C(F)(F)F)nc2)n1 ZINC000738814435 603000296 /nfs/dbraw/zinc/00/02/96/603000296.db2.gz CFKYJMGPOQBBTR-SECBINFHSA-N -1 0 344.293 3.505 20 0 EHADRM CN(Cc1cccc(NC(=O)c2cc3cc(F)ccc3o2)c1)C(=O)[O-] ZINC000739711136 603006726 /nfs/dbraw/zinc/00/67/26/603006726.db2.gz DZCWFTKKFUPROW-UHFFFAOYSA-N -1 0 342.326 3.934 20 0 EHADRM C[C@@H](CN(C)C(=O)[O-])c1noc([C@H](C)Oc2ccccc2Cl)n1 ZINC000738908162 603009237 /nfs/dbraw/zinc/00/92/37/603009237.db2.gz NKXZMZSZDRNXEA-UWVGGRQHSA-N -1 0 339.779 3.576 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)[C@@H]3CCC[C@H]3NC(=O)[O-])ccc2o1 ZINC000738728030 603020291 /nfs/dbraw/zinc/02/02/91/603020291.db2.gz NQBMIRCMSOYFDO-VXGBXAGGSA-N -1 0 345.399 3.500 20 0 EHADRM CN(Cc1nc(-c2cccc(Oc3ccccc3)c2)no1)C(=O)[O-] ZINC000737496794 603023035 /nfs/dbraw/zinc/02/30/35/603023035.db2.gz JSJIROQMDCHNSI-UHFFFAOYSA-N -1 0 325.324 3.639 20 0 EHADRM C[C@H](NC(=O)[O-])c1nc(-c2cccc(Oc3ccccc3)c2)no1 ZINC000739018372 603023758 /nfs/dbraw/zinc/02/37/58/603023758.db2.gz MOYLYDRARBPXAB-NSHDSACASA-N -1 0 325.324 3.858 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N[C@H]2CSc3ccccc32)cc1 ZINC000738664511 603028747 /nfs/dbraw/zinc/02/87/47/603028747.db2.gz HEZMXINNKIFJQV-ZDUSSCGKSA-N -1 0 329.381 3.745 20 0 EHADRM CC(C)(CC(=O)Nc1ccc(NC2CCCCC2)cc1)NC(=O)[O-] ZINC000738736125 603034946 /nfs/dbraw/zinc/03/49/46/603034946.db2.gz VAXNVMVTPONBLG-UHFFFAOYSA-N -1 0 333.432 3.806 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000740706184 603038556 /nfs/dbraw/zinc/03/85/56/603038556.db2.gz IIUWLRBBFOXCJO-MRVPVSSYSA-N -1 0 349.284 3.722 20 0 EHADRM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)C1 ZINC000739080085 603038771 /nfs/dbraw/zinc/03/87/71/603038771.db2.gz BLTQWXDLURXDSE-NQZOLGFYSA-N -1 0 348.418 3.562 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)c2ccc(OC(F)F)cc2)cc1 ZINC000827914273 603039533 /nfs/dbraw/zinc/03/95/33/603039533.db2.gz KWXZCWWWWBGWBD-UHFFFAOYSA-N -1 0 337.278 3.621 20 0 EHADRM CS[C@@H](C(=O)Nc1cc(NC(=O)[O-])ccc1F)c1ccccc1 ZINC000739995860 603040620 /nfs/dbraw/zinc/04/06/20/603040620.db2.gz AVZURGGFGHBVFU-CQSZACIVSA-N -1 0 334.372 3.958 20 0 EHADRM Cc1cc([C@@H]2CCCN2C(=O)Nc2cc(NC(=O)[O-])ccc2F)no1 ZINC000740077844 603042634 /nfs/dbraw/zinc/04/26/34/603042634.db2.gz CHNRBPJXFSBPKT-AWEZNQCLSA-N -1 0 348.334 3.581 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)C1CCC(NC(=O)[O-])CC1 ZINC000739258173 603044449 /nfs/dbraw/zinc/04/44/49/603044449.db2.gz OGVCYJQFPJEAQA-DAWZGUTISA-N -1 0 346.471 3.601 20 0 EHADRM CCc1ccc([C@@H]2CCCCCN2C(=O)C2CCN(C(=O)[O-])CC2)o1 ZINC000737903395 603059846 /nfs/dbraw/zinc/05/98/46/603059846.db2.gz WBTPJTPNBBLDOJ-INIZCTEOSA-N -1 0 348.443 3.676 20 0 EHADRM O=C([O-])Nc1ccc(NCCOCC(F)(F)F)c(C(F)(F)F)c1 ZINC000740713207 603102786 /nfs/dbraw/zinc/10/27/86/603102786.db2.gz PBKICGKWXWXDOD-UHFFFAOYSA-N -1 0 346.227 3.786 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NCc2nc(-c3ccsc3)no2)cc1 ZINC000739018161 603105054 /nfs/dbraw/zinc/10/50/54/603105054.db2.gz WPWWSRKAIDBZIM-JTQLQIEISA-N -1 0 344.396 3.739 20 0 EHADRM CC[C@@H](CC1CCCCC1)C(=O)N1CCC[C@H](CN(C)C(=O)[O-])C1 ZINC000739256820 603107755 /nfs/dbraw/zinc/10/77/55/603107755.db2.gz AAKFSDYVQWCWMF-SJORKVTESA-N -1 0 338.492 3.831 20 0 EHADRM O=C([O-])NC1CCC(NC(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000740554889 603136779 /nfs/dbraw/zinc/13/67/79/603136779.db2.gz CWUHEEHWHRUTRK-UHFFFAOYSA-N -1 0 346.214 3.694 20 0 EHADRM CC[C@@H](C)Oc1ccc(NC(=O)NC2CCC(NC(=O)[O-])CC2)cc1 ZINC000739247416 603138704 /nfs/dbraw/zinc/13/87/04/603138704.db2.gz ARYIBNRNYRNVHZ-DNOWBOINSA-N -1 0 349.431 3.564 20 0 EHADRM C[C@H]1CC(NC(=O)Nc2ccccc2CN(C)C(=O)[O-])C[C@H](C)C1 ZINC000739071521 603139920 /nfs/dbraw/zinc/13/99/20/603139920.db2.gz AUOFAXIEWUEUPE-CHWSQXEVSA-N -1 0 333.432 3.743 20 0 EHADRM CCN(Cc1cccc(NC(=O)N[C@H](C)c2ccc(C)o2)c1)C(=O)[O-] ZINC000739441747 603141583 /nfs/dbraw/zinc/14/15/83/603141583.db2.gz IOUPOFBIYFCALH-CYBMUJFWSA-N -1 0 345.399 3.971 20 0 EHADRM Cc1ccc2cccc(-c3nc(C4(NC(=O)[O-])CCCC4)no3)c2n1 ZINC000740152745 603146783 /nfs/dbraw/zinc/14/67/83/603146783.db2.gz HHDBSXMEMJNQDB-UHFFFAOYSA-N -1 0 338.367 3.630 20 0 EHADRM CC(C)[C@H](c1ccccc1)N(C)C(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000738798159 603152151 /nfs/dbraw/zinc/15/21/51/603152151.db2.gz ATLFKPWQAYVXOF-OFLPRAFFSA-N -1 0 347.459 3.604 20 0 EHADRM Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(NC(=O)[O-])cc1 ZINC000830489407 603157202 /nfs/dbraw/zinc/15/72/02/603157202.db2.gz WPLHEWIFDYCTTJ-ZDUSSCGKSA-N -1 0 328.368 3.799 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)Nc2cc(Cl)cc3cccnc32)C1 ZINC000740572260 603164074 /nfs/dbraw/zinc/16/40/74/603164074.db2.gz KVIWGGLCBGIRHI-WCQYABFASA-N -1 0 347.802 3.653 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000740714540 603172728 /nfs/dbraw/zinc/17/27/28/603172728.db2.gz RQVDPPTZOGBCRJ-GHMZBOCLSA-N -1 0 332.306 3.797 20 0 EHADRM CCc1ccc(CC(=O)Nc2ccc(NC(=O)[O-])c(OC)c2)cc1 ZINC000739544001 603173084 /nfs/dbraw/zinc/17/30/84/603173084.db2.gz PSOSBMQUFKCLHN-UHFFFAOYSA-N -1 0 328.368 3.529 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)Nc2cccc(-c3nccs3)c2)C1 ZINC000740570483 603176888 /nfs/dbraw/zinc/17/68/88/603176888.db2.gz IGUFMPAVFSLCCS-RISCZKNCSA-N -1 0 345.424 3.575 20 0 EHADRM CCCCOc1ccccc1NC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739338169 603177189 /nfs/dbraw/zinc/17/71/89/603177189.db2.gz BVCZGKVCATWZCE-KGLIPLIRSA-N -1 0 334.416 3.630 20 0 EHADRM CCCCOc1ccccc1NC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739338171 603177432 /nfs/dbraw/zinc/17/74/32/603177432.db2.gz BVCZGKVCATWZCE-UONOGXRCSA-N -1 0 334.416 3.630 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)CO[C@H]2CCCC[C@H]2C)cc1 ZINC000825423394 603177581 /nfs/dbraw/zinc/17/75/81/603177581.db2.gz PXIVXSKKXQUUTE-WWGRRREGSA-N -1 0 334.416 3.549 20 0 EHADRM CCSc1cc(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)ccn1 ZINC000827508085 603177933 /nfs/dbraw/zinc/17/79/33/603177933.db2.gz JMXFXFRIAQEYAP-NSHDSACASA-N -1 0 345.424 3.775 20 0 EHADRM O=C([O-])N1CCc2ccc(NC(=O)c3cc4occc4s3)cc2C1 ZINC000740466463 603179300 /nfs/dbraw/zinc/17/93/00/603179300.db2.gz OTKGZNLSQWQCKQ-UHFFFAOYSA-N -1 0 342.376 3.783 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)cc1 ZINC000825414957 603182291 /nfs/dbraw/zinc/18/22/91/603182291.db2.gz CODWRTGQMDNQPG-GOPGUHFVSA-N -1 0 342.370 3.897 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)CCCc2ccccc2)cc1 ZINC000825415175 603182429 /nfs/dbraw/zinc/18/24/29/603182429.db2.gz DLPDXCHGLHJLHE-AWEZNQCLSA-N -1 0 326.396 3.977 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)CCOc2ccccc2F)cc1 ZINC000825418163 603184723 /nfs/dbraw/zinc/18/47/23/603184723.db2.gz SSTGELUWUSJFJV-GFCCVEGCSA-N -1 0 346.358 3.562 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000825422117 603193260 /nfs/dbraw/zinc/19/32/60/603193260.db2.gz FUYPAZLISIILLU-GFCCVEGCSA-N -1 0 337.379 3.678 20 0 EHADRM CC(=O)Nc1ccc(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)cc1 ZINC000738572108 603197912 /nfs/dbraw/zinc/19/79/12/603197912.db2.gz MLFBMQJKZCDOAW-UHFFFAOYSA-N -1 0 347.758 3.641 20 0 EHADRM CC(C)Oc1ncccc1NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000738868392 603222463 /nfs/dbraw/zinc/22/24/63/603222463.db2.gz RARUGAUAYSJASO-UHFFFAOYSA-N -1 0 349.774 3.864 20 0 EHADRM C[C@H](C(=O)Nc1cccc2ncccc21)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823723481 603224718 /nfs/dbraw/zinc/22/47/18/603224718.db2.gz KWWZMWQVIMEZSU-UGSOOPFHSA-N -1 0 349.390 3.818 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=S)N[C@H]2CCCC[C@H]2C)cc1 ZINC000825448361 603238723 /nfs/dbraw/zinc/23/87/23/603238723.db2.gz DLRYSTAYJQLWAW-XUJVJEKNSA-N -1 0 335.473 3.880 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=S)Nc2ccccc2F)cc1 ZINC000825448388 603238888 /nfs/dbraw/zinc/23/88/88/603238888.db2.gz DYTJIYYTMUUTIV-SNVBAGLBSA-N -1 0 333.388 3.963 20 0 EHADRM CSc1cccc(NC(=O)[C@@H](C)[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000829772365 603241031 /nfs/dbraw/zinc/24/10/31/603241031.db2.gz VBVCKVWQYOSLOY-LRDDRELGSA-N -1 0 344.436 3.992 20 0 EHADRM Cc1ccc(OCCNC(=O)c2ccc(C)c(NC(=O)[O-])c2)c(C)c1 ZINC000830407140 603244748 /nfs/dbraw/zinc/24/47/48/603244748.db2.gz MLVLUBQEKFKELC-UHFFFAOYSA-N -1 0 342.395 3.511 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)Nc2ccc(F)cc2F)cc1 ZINC000825442586 603248929 /nfs/dbraw/zinc/24/89/29/603248929.db2.gz KUXPNQGBGVQILK-VIFPVBQESA-N -1 0 335.310 3.937 20 0 EHADRM COc1ccc(C)cc1NC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000829320722 603251424 /nfs/dbraw/zinc/25/14/24/603251424.db2.gz BQQVYWCKQKYDGD-GFCCVEGCSA-N -1 0 343.383 3.976 20 0 EHADRM O=C([O-])N1CCC[C@@H]1[C@H]1CCCN(C(=O)C2CCCCCCC2)C1 ZINC000740347683 603253341 /nfs/dbraw/zinc/25/33/41/603253341.db2.gz PSGQAZUPPVIKJM-DLBZAZTESA-N -1 0 336.476 3.728 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NC2(c3cccc(Cl)c3)CC2)cc1 ZINC000738662403 603260969 /nfs/dbraw/zinc/26/09/69/603260969.db2.gz UJFZQUXCMVWBLX-UHFFFAOYSA-N -1 0 330.771 3.849 20 0 EHADRM Cc1ccc(C)c(NC(=O)[C@H](NC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000740115448 603261412 /nfs/dbraw/zinc/26/14/12/603261412.db2.gz JSZHYFSXCFYMNW-OAHLLOKOSA-N -1 0 332.787 3.904 20 0 EHADRM Cc1ccc(C)c(NC(=O)[C@@H](NC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000740115447 603261607 /nfs/dbraw/zinc/26/16/07/603261607.db2.gz JSZHYFSXCFYMNW-HNNXBMFYSA-N -1 0 332.787 3.904 20 0 EHADRM CCc1ccc([C@H](NC(=O)c2ccc(CNC(=O)[O-])o2)C(C)C)cc1 ZINC000827584377 603272284 /nfs/dbraw/zinc/27/22/84/603272284.db2.gz QPZBSTGSCFWRIB-QGZVFWFLSA-N -1 0 344.411 3.737 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2ccc3c[nH]nc3c2)c(Cl)c1 ZINC000740700255 603273625 /nfs/dbraw/zinc/27/36/25/603273625.db2.gz CQHOXRZSUYWDDU-UHFFFAOYSA-N -1 0 330.731 3.559 20 0 EHADRM CC[C@H](NC(=O)C1CCC(NC(=O)[O-])CC1)C(C)(C)c1ccccc1 ZINC000739259739 603274558 /nfs/dbraw/zinc/27/45/58/603274558.db2.gz NADGGNYBBUSXDO-PREGVCBESA-N -1 0 346.471 3.685 20 0 EHADRM COc1cc(NC(=O)N2CCC3(CCCC3)C2)ccc1NC(=O)[O-] ZINC000829158506 603282140 /nfs/dbraw/zinc/28/21/40/603282140.db2.gz FJVMCJCSRMHUGV-UHFFFAOYSA-N -1 0 333.388 3.583 20 0 EHADRM C[C@H](c1ccco1)N(C)C(=O)Nc1cccc2c1CCN(C(=O)[O-])C2 ZINC000739060465 603289833 /nfs/dbraw/zinc/28/98/33/603289833.db2.gz NZEDYWTZPQPCOD-GFCCVEGCSA-N -1 0 343.383 3.541 20 0 EHADRM COc1cc(C)ccc1NC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000829100732 603291103 /nfs/dbraw/zinc/29/11/03/603291103.db2.gz AEMWXNZARGTBNZ-GFCCVEGCSA-N -1 0 343.383 3.976 20 0 EHADRM O=C([O-])N1CCCN(C(=O)/C=C/c2cccs2)c2ccccc21 ZINC000740517255 603298802 /nfs/dbraw/zinc/29/88/02/603298802.db2.gz UBTYHSCDDKJCPF-CMDGGOBGSA-N -1 0 328.393 3.683 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(NC(=O)[O-])cc1)Oc1ccc(F)cc1 ZINC000824940062 603310132 /nfs/dbraw/zinc/31/01/32/603310132.db2.gz STNIGPHYAZAGGN-LLVKDONJSA-N -1 0 347.346 3.505 20 0 EHADRM C[C@]1(c2ccccc2)C[C@H]1NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000825772258 603311019 /nfs/dbraw/zinc/31/10/19/603311019.db2.gz GLGAXYJVANVHRM-CRAIPNDOSA-N -1 0 325.368 3.628 20 0 EHADRM COc1cccc(F)c1[C@H](C)NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000829565239 603311425 /nfs/dbraw/zinc/31/14/25/603311425.db2.gz SPVPZLWVIXRHCB-JTQLQIEISA-N -1 0 347.346 3.807 20 0 EHADRM CN(CCCNC(=O)[O-])C(=O)Nc1ccc(SC(C)(C)C)cc1 ZINC000739676145 603317814 /nfs/dbraw/zinc/31/78/14/603317814.db2.gz ARLXSJVORZKPOD-UHFFFAOYSA-N -1 0 339.461 3.699 20 0 EHADRM CCC[C@@]1(C)CCCN(C(=O)Nc2cccc(CNC(=O)[O-])c2)C1 ZINC000826768424 603318080 /nfs/dbraw/zinc/31/80/80/603318080.db2.gz HFLWJGAVWADZLN-SFHVURJKSA-N -1 0 333.432 3.888 20 0 EHADRM COc1ccc(NC(=O)c2cccc3cc[nH]c32)cc1NC(=O)[O-] ZINC000829474452 603321813 /nfs/dbraw/zinc/32/18/13/603321813.db2.gz JAHNODVZHBTWQR-UHFFFAOYSA-N -1 0 325.324 3.519 20 0 EHADRM C[C@H](NC(=O)Nc1cccc(CNC(=O)[O-])c1)c1c(F)cccc1F ZINC000738987476 603322786 /nfs/dbraw/zinc/32/27/86/603322786.db2.gz KYCMCEGEVSFIPV-JTQLQIEISA-N -1 0 349.337 3.615 20 0 EHADRM CC[C@]1(C)CCCN(C(=O)Nc2ccccc2CN(C)C(=O)[O-])C1 ZINC000826644574 603329052 /nfs/dbraw/zinc/32/90/52/603329052.db2.gz KNVCFJZQROWISP-GOSISDBHSA-N -1 0 333.432 3.840 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)Nc1cccc(CNC(=O)[O-])c1)CC2 ZINC000740152516 603329406 /nfs/dbraw/zinc/32/94/06/603329406.db2.gz FKRPFASEODEIPX-KRWDZBQOSA-N -1 0 339.395 3.572 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)NC2(c3ccccc3F)CC2)c1 ZINC000740706174 603333766 /nfs/dbraw/zinc/33/37/66/603333766.db2.gz IATARADBDBVDPH-UHFFFAOYSA-N -1 0 347.321 3.866 20 0 EHADRM CCCOc1ccc(CNC(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1 ZINC000826939167 603350419 /nfs/dbraw/zinc/35/04/19/603350419.db2.gz CDNNXGSKYPLHAE-UHFFFAOYSA-N -1 0 342.395 3.804 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](CCc1ccccc1)c1ccccc1)NC(=O)[O-] ZINC000824614537 603357330 /nfs/dbraw/zinc/35/73/30/603357330.db2.gz KRBKVMAHJSJDOO-YJBOKZPZSA-N -1 0 340.423 3.523 20 0 EHADRM CN(Cc1cccc(NC(=O)NCc2cccc(Cl)c2)c1)C(=O)[O-] ZINC000739716029 603358725 /nfs/dbraw/zinc/35/87/25/603358725.db2.gz UKNCYDNJPMGUST-UHFFFAOYSA-N -1 0 347.802 3.772 20 0 EHADRM CC(C)N(Cc1ccco1)C(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000738853763 603359652 /nfs/dbraw/zinc/35/96/52/603359652.db2.gz UJUBNNIMQCYRJO-UHFFFAOYSA-N -1 0 345.399 3.832 20 0 EHADRM CCc1csc(NC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)n1 ZINC000827621636 603362019 /nfs/dbraw/zinc/36/20/19/603362019.db2.gz TXOLAPCRFIHTBS-SECBINFHSA-N -1 0 334.401 3.678 20 0 EHADRM C[C@@H](CCc1ccco1)NC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000824816636 603363249 /nfs/dbraw/zinc/36/32/49/603363249.db2.gz LBHCKCFOWVXQGM-STQMWFEESA-N -1 0 345.399 3.751 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N2CCc3sccc3C2)cc1 ZINC000825426501 603369819 /nfs/dbraw/zinc/36/98/19/603369819.db2.gz FPGWQQGQOWIEHB-NSHDSACASA-N -1 0 345.424 3.667 20 0 EHADRM CCOc1cccc(NC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000827453748 603371012 /nfs/dbraw/zinc/37/10/12/603371012.db2.gz ZGJYGWIGHKYAAW-SUMWQHHRSA-N -1 0 342.395 3.669 20 0 EHADRM CCOc1cccc(NC(=O)[C@H](C)[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000827453745 603371272 /nfs/dbraw/zinc/37/12/72/603371272.db2.gz ZGJYGWIGHKYAAW-CXAGYDPISA-N -1 0 342.395 3.669 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)NCc2ccccc2Cl)cc1 ZINC000825434511 603374604 /nfs/dbraw/zinc/37/46/04/603374604.db2.gz UMTQFEYHAHYMBI-LLVKDONJSA-N -1 0 347.802 3.990 20 0 EHADRM CCc1cccc(CC)c1NC(=S)N[C@H]1CCC[C@H]1CNC(=O)[O-] ZINC000739540424 603375096 /nfs/dbraw/zinc/37/50/96/603375096.db2.gz GJMIBCIXXHSSMU-GJZGRUSLSA-N -1 0 349.500 3.534 20 0 EHADRM Cc1cc(C)cc(NC(=S)NC[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000740067988 603378951 /nfs/dbraw/zinc/37/89/51/603378951.db2.gz ZEYGYMYLWFTRKY-INIZCTEOSA-N -1 0 343.452 3.599 20 0 EHADRM O=C([O-])N[C@@H](CNC(=S)Nc1cccc(Cl)c1)c1ccccc1 ZINC000740537985 603379738 /nfs/dbraw/zinc/37/97/38/603379738.db2.gz WADCGJISSOKPNX-AWEZNQCLSA-N -1 0 349.843 3.635 20 0 EHADRM Cc1noc(C)c1[C@H](C)NC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000830904110 603387274 /nfs/dbraw/zinc/38/72/74/603387274.db2.gz KFELTHXPANJAKD-ZJUUUORDSA-N -1 0 346.387 3.503 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)NCCc2ccccc2F)cc1 ZINC000825434552 603389021 /nfs/dbraw/zinc/38/90/21/603389021.db2.gz VDADSZZXPNJWHT-LBPRGKRZSA-N -1 0 345.374 3.519 20 0 EHADRM CC(C)c1csc(NC(=O)[C@H](C)[C@H](NC(=O)[O-])c2ccccc2)n1 ZINC000824482362 603389791 /nfs/dbraw/zinc/38/97/91/603389791.db2.gz LCVJFVSSFXDRRT-RISCZKNCSA-N -1 0 347.440 3.850 20 0 EHADRM C[C@@H](C(=O)Nc1nc(C2CC2)cs1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823723666 603389912 /nfs/dbraw/zinc/38/99/12/603389912.db2.gz MHTLRQXVDIFELA-QMTHXVAHSA-N -1 0 345.424 3.604 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)c1ccc(F)c(NC(=O)[O-])c1)C(C)C ZINC000740194580 603393738 /nfs/dbraw/zinc/39/37/38/603393738.db2.gz TZARDQVQTJRPIX-HNNXBMFYSA-N -1 0 345.374 3.746 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)[C@H]1CCSc2ccccc21 ZINC000740713885 603396765 /nfs/dbraw/zinc/39/67/65/603396765.db2.gz DENXSVVUNSHVFR-LBPRGKRZSA-N -1 0 328.393 3.995 20 0 EHADRM COc1cc(NC(=O)c2cc3cccc(F)c3o2)ccc1NC(=O)[O-] ZINC000739872986 603397661 /nfs/dbraw/zinc/39/76/61/603397661.db2.gz XPEUFDKEACFLKL-UHFFFAOYSA-N -1 0 344.298 3.923 20 0 EHADRM C[C@H](c1nc(-c2ccc(O)cc2)no1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000825645666 603409268 /nfs/dbraw/zinc/40/92/68/603409268.db2.gz SWGVQDXAJRMZNK-NHYWBVRUSA-N -1 0 339.351 3.555 20 0 EHADRM O=C([O-])N1CCC[C@H]1Cc1nc(-c2c(Cl)cccc2Cl)no1 ZINC000832005433 603410075 /nfs/dbraw/zinc/41/00/75/603410075.db2.gz LQHABOXIDLBQFO-QMMMGPOBSA-N -1 0 342.182 3.728 20 0 EHADRM Cc1cc2c(cc1C)O[C@@H](c1nc([C@H](CC(C)C)NC(=O)[O-])no1)C2 ZINC000830143697 603416504 /nfs/dbraw/zinc/41/65/04/603416504.db2.gz LWVPEVUZZZEVID-DZGCQCFKSA-N -1 0 345.399 3.717 20 0 EHADRM CSc1cccc(NC(=O)C[C@@H](Cc2ccccc2)NC(=O)[O-])c1 ZINC000829772185 603428352 /nfs/dbraw/zinc/42/83/52/603428352.db2.gz PKCFQKSOFLJNJR-OAHLLOKOSA-N -1 0 344.436 3.616 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N1CCC[C@@H](C)CC1 ZINC000829173553 603428576 /nfs/dbraw/zinc/42/85/76/603428576.db2.gz KUKHCVOMBYOSOV-SNVBAGLBSA-N -1 0 340.807 3.701 20 0 EHADRM C[C@H]1CCCC[C@H]1OCC(=O)N1CCCN(C(=O)[O-])c2ccccc21 ZINC000739103369 603429958 /nfs/dbraw/zinc/42/99/58/603429958.db2.gz ZPNZXOWKZAZZRM-WMLDXEAASA-N -1 0 346.427 3.503 20 0 EHADRM COc1ccc(C(=O)N2CCCN(C(=O)[O-])c3ccccc32)c(C)c1 ZINC000739883672 603431924 /nfs/dbraw/zinc/43/19/24/603431924.db2.gz PMBSEMSOQLKFKK-UHFFFAOYSA-N -1 0 340.379 3.539 20 0 EHADRM Cc1csc([C@@H](NC(=O)c2ccc(F)c(NC(=O)[O-])c2)C2CC2)n1 ZINC000740204132 603434356 /nfs/dbraw/zinc/43/43/56/603434356.db2.gz KPNPIGNBIZZOCJ-ZDUSSCGKSA-N -1 0 349.387 3.562 20 0 EHADRM CCC[C@](C)(NC(=O)[O-])C(=O)Nc1nc(-c2cccs2)cs1 ZINC000826720160 603436265 /nfs/dbraw/zinc/43/62/65/603436265.db2.gz FSQMZXGAZCFVPM-AWEZNQCLSA-N -1 0 339.442 3.637 20 0 EHADRM Cc1cnc(C(C)(C)NC(=O)c2ccc(C)c(NC(=O)[O-])c2)s1 ZINC000830626307 603451892 /nfs/dbraw/zinc/45/18/92/603451892.db2.gz ZVXRBRZTUHTPRO-UHFFFAOYSA-N -1 0 333.413 3.515 20 0 EHADRM Cc1cc(NC(=O)N2CCC(N(CC3CC3)C(=O)[O-])CC2)ccc1F ZINC000830110586 603453774 /nfs/dbraw/zinc/45/37/74/603453774.db2.gz BIUXRKVGEZXABE-UHFFFAOYSA-N -1 0 349.406 3.520 20 0 EHADRM CCCc1ccccc1NC(=O)C[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000826953034 603467355 /nfs/dbraw/zinc/46/73/55/603467355.db2.gz ACJBQQPKSRFJFW-KRWDZBQOSA-N -1 0 340.423 3.847 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)CC1(NC(=O)[O-])CCC1 ZINC000829867768 603477069 /nfs/dbraw/zinc/47/70/69/603477069.db2.gz SDNIDKXCYDBCSF-UHFFFAOYSA-N -1 0 348.443 3.829 20 0 EHADRM CCN(CC1CCN(Cc2nc3ccccc3s2)CC1)C(=O)[O-] ZINC000827099507 603539915 /nfs/dbraw/zinc/53/99/15/603539915.db2.gz PCTQEJZMRSWFTQ-UHFFFAOYSA-N -1 0 333.457 3.508 20 0 EHADRM CCN(CC1CCN(C(=O)Nc2ccc(C)c(C)c2)CC1)C(=O)[O-] ZINC000827075144 603578217 /nfs/dbraw/zinc/57/82/17/603578217.db2.gz PLGUFZVUUJIFIV-UHFFFAOYSA-N -1 0 333.432 3.547 20 0 EHADRM CC(C)C[C@H]1CCN(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)C1 ZINC000824233511 603604667 /nfs/dbraw/zinc/60/46/67/603604667.db2.gz ZIQMCKHGIHJRPK-ZIAGYGMSSA-N -1 0 333.432 3.915 20 0 EHADRM O=C([O-])NCC1(C(=O)Nc2ccc(-c3nccs3)cc2)CCCC1 ZINC000832443142 603622532 /nfs/dbraw/zinc/62/25/32/603622532.db2.gz QIDKYOGTWSSYIZ-UHFFFAOYSA-N -1 0 345.424 3.577 20 0 EHADRM Cc1ccc(-c2nnc(COc3cccc(NC(=O)[O-])c3)o2)cc1 ZINC000830158794 603633866 /nfs/dbraw/zinc/63/38/66/603633866.db2.gz AOLZQEWYXDPXMF-UHFFFAOYSA-N -1 0 325.324 3.714 20 0 EHADRM Cc1c2c(sc1NC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1)CCCC2 ZINC000829877283 603634243 /nfs/dbraw/zinc/63/42/43/603634243.db2.gz MEEJVVQXGSRZPG-RYUDHWBXSA-N -1 0 336.457 3.700 20 0 EHADRM CSc1cc(C)ccc1CNC(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000829753337 603719190 /nfs/dbraw/zinc/71/91/90/603719190.db2.gz GJNAXXAKKZUAEJ-UHFFFAOYSA-N -1 0 344.436 3.666 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccccc1NC(=O)[O-] ZINC000830699052 603745643 /nfs/dbraw/zinc/74/56/43/603745643.db2.gz WAVZBXBOVINCTE-UHFFFAOYSA-N -1 0 337.335 3.992 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)N1CCC(CN(CC)C(=O)[O-])CC1 ZINC000826582075 603753099 /nfs/dbraw/zinc/75/30/99/603753099.db2.gz VUBBWOVGGBMBAK-QGZVFWFLSA-N -1 0 338.492 3.831 20 0 EHADRM Cc1c(F)cccc1NC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000829871496 603776803 /nfs/dbraw/zinc/77/68/03/603776803.db2.gz BEDJLJWNDAQQOY-BLLLJJGKSA-N -1 0 330.359 3.718 20 0 EHADRM CCc1cccc(NC(=S)N(C)CC[C@@H](NC(=O)[O-])C(C)C)c1 ZINC000827599241 603830657 /nfs/dbraw/zinc/83/06/57/603830657.db2.gz GENNZNSPQOEZPV-OAHLLOKOSA-N -1 0 337.489 3.560 20 0 EHADRM O=C([O-])N1CCC[C@H]1CC(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000831340057 603928781 /nfs/dbraw/zinc/92/87/81/603928781.db2.gz PJRVFRRWNIASCQ-ZDUSSCGKSA-N -1 0 344.333 3.653 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)c1c[nH]cc1-c1ccccc1 ZINC000831793172 603945098 /nfs/dbraw/zinc/94/50/98/603945098.db2.gz GYGFUXZOXKAQSO-UHFFFAOYSA-N -1 0 347.374 3.975 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)NCc1ccccc1Cl ZINC000831718679 603965101 /nfs/dbraw/zinc/96/51/01/603965101.db2.gz AEYRAIQTZOHDKD-UHFFFAOYSA-N -1 0 345.786 3.702 20 0 EHADRM CSc1ccccc1NC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000829772373 603971299 /nfs/dbraw/zinc/97/12/99/603971299.db2.gz VIGFRBOPLCAOQT-YHWZYXNKSA-N -1 0 334.441 3.658 20 0 EHADRM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000830555788 603980537 /nfs/dbraw/zinc/98/05/37/603980537.db2.gz ZQHVRVHVQSWYTC-ZOBUZTSGSA-N -1 0 332.444 3.587 20 0 EHADRM CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2ccc(NC(=O)[O-])cc2)C1 ZINC000827495347 603989756 /nfs/dbraw/zinc/98/97/56/603989756.db2.gz IVFDBVSCHGAMPH-ZIAGYGMSSA-N -1 0 337.445 3.914 20 0 EHADRM Cc1nc2ccccc2nc1CNc1cccc2c1CCN2C(=O)[O-] ZINC000830792993 604010556 /nfs/dbraw/zinc/01/05/56/604010556.db2.gz KOBIFWPNDFQCQJ-UHFFFAOYSA-N -1 0 334.379 3.591 20 0 EHADRM COc1ccc(NC(=O)/C=C/SCc2ccco2)cc1NC(=O)[O-] ZINC000829448388 604042379 /nfs/dbraw/zinc/04/23/79/604042379.db2.gz PPJGTKIGVXFUIY-SOFGYWHQSA-N -1 0 348.380 3.764 20 0 EHADRM CC(C)c1ccc(NC(=O)N2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)cc1 ZINC000824469771 604064677 /nfs/dbraw/zinc/06/46/77/604064677.db2.gz FNJWFLOTTQUCHX-UKRRQHHQSA-N -1 0 333.432 3.710 20 0 EHADRM CC(C)c1ccccc1NC(=O)N1CCC[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000824475964 604064875 /nfs/dbraw/zinc/06/48/75/604064875.db2.gz DTJSMCSIUCQZRU-KGLIPLIRSA-N -1 0 333.432 3.710 20 0 EHADRM O=C([O-])NC1(CC(=O)Nc2ccccc2OC2CCCC2)CCC1 ZINC000832216541 604105994 /nfs/dbraw/zinc/10/59/94/604105994.db2.gz YSAMELFCKCANER-UHFFFAOYSA-N -1 0 332.400 3.527 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)NCCc2ccc(NC(=O)[O-])cc2)s1 ZINC000738552721 604193269 /nfs/dbraw/zinc/19/32/69/604193269.db2.gz OWMLTHBZPDMDPB-LBPRGKRZSA-N -1 0 347.440 3.749 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)Cc3ccc(F)c(F)c3)ccc21 ZINC000831557648 604198267 /nfs/dbraw/zinc/19/82/67/604198267.db2.gz JFEAXGQFAIRLIA-UHFFFAOYSA-N -1 0 346.333 3.577 20 0 EHADRM CO[C@@H](C)c1nc(CNc2cc(NC(=O)[O-])ccc2F)cs1 ZINC000828837056 604201785 /nfs/dbraw/zinc/20/17/85/604201785.db2.gz UPZJGBGBZQTPFL-QMMMGPOBSA-N -1 0 325.365 3.692 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000832958434 604268108 /nfs/dbraw/zinc/26/81/08/604268108.db2.gz FCGCORLFLUBTIR-OAHLLOKOSA-N -1 0 334.375 3.613 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccnc(-c3ccccc3)c2)cc1F ZINC000833162145 604269994 /nfs/dbraw/zinc/26/99/94/604269994.db2.gz UVZZQAHTQGPJQT-UHFFFAOYSA-N -1 0 336.322 3.838 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)C1CC1 ZINC000832981249 604272906 /nfs/dbraw/zinc/27/29/06/604272906.db2.gz DTDWGHJZWIVZFP-QGZVFWFLSA-N -1 0 327.355 3.713 20 0 EHADRM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)CC(C)(C)NC(=O)[O-] ZINC000830085975 604278669 /nfs/dbraw/zinc/27/86/69/604278669.db2.gz VYUNLHWXJOUYOB-AWEZNQCLSA-N -1 0 347.459 3.749 20 0 EHADRM CC[C@@H]1CCc2nc(NC(=O)c3c(C)[nH]c(C(=O)[O-])c3C)sc2C1 ZINC000737787944 604287899 /nfs/dbraw/zinc/28/78/99/604287899.db2.gz QUUNSQWMCKVOSU-SNVBAGLBSA-N -1 0 347.440 3.553 20 0 EHADRM CCN(Cc1cccs1)C(=O)C[C@@H](C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000827192677 604289384 /nfs/dbraw/zinc/28/93/84/604289384.db2.gz BGTGCFUOPFOJMA-KGLIPLIRSA-N -1 0 338.473 3.513 20 0 EHADRM C[C@H](CC(=O)N(C)[C@@H](C)c1ccccc1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824550745 604294394 /nfs/dbraw/zinc/29/43/94/604294394.db2.gz IBQBUWAYJVSHLS-VYDXJSESSA-N -1 0 332.444 3.622 20 0 EHADRM C[C@@]1(NC(=O)c2ccc(C(=O)[O-])c(F)c2)CCCc2ccccc21 ZINC000828110840 604302449 /nfs/dbraw/zinc/30/24/49/604302449.db2.gz XACHWOYEVHTXPO-LJQANCHMSA-N -1 0 327.355 3.505 20 0 EHADRM CC(C)(Cc1ccccc1Cl)NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000826616495 604306318 /nfs/dbraw/zinc/30/63/18/604306318.db2.gz KBMNNQYBSHHCFF-UHFFFAOYSA-N -1 0 349.789 3.928 20 0 EHADRM CCc1cccc(C)c1NC(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000827594228 604314067 /nfs/dbraw/zinc/31/40/67/604314067.db2.gz GUPHQKSBHATEAD-GDBMZVCRSA-N -1 0 332.444 3.912 20 0 EHADRM CCC(CC)(CNC(=O)c1c(C)[nH]c(C(=O)[O-])c1C)c1ccccc1 ZINC000828814969 604327827 /nfs/dbraw/zinc/32/78/27/604327827.db2.gz AXUXALHFJHJIEG-UHFFFAOYSA-N -1 0 342.439 3.818 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2CCC2CCCCC2)cn1 ZINC000430372376 604342169 /nfs/dbraw/zinc/34/21/69/604342169.db2.gz ZLJNMDQKIACXAN-INIZCTEOSA-N -1 0 330.428 3.745 20 0 EHADRM Cc1nc2cc(NC(=O)N[C@@H]3CCCCCC[C@@H]3C(=O)[O-])ccc2o1 ZINC000833004007 604369073 /nfs/dbraw/zinc/36/90/73/604369073.db2.gz FYLNZFHJAXCSGS-UONOGXRCSA-N -1 0 345.399 3.681 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1cccc(NC2CCCC2)c1 ZINC000832847316 604370023 /nfs/dbraw/zinc/37/00/23/604370023.db2.gz OQPWFFZLDFVUEG-UHFFFAOYSA-N -1 0 341.411 3.937 20 0 EHADRM C[C@H](C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])c1ccccc1F ZINC000825996306 604382428 /nfs/dbraw/zinc/38/24/28/604382428.db2.gz YKUDEXIKGNENTG-SUMWQHHRSA-N -1 0 343.398 3.898 20 0 EHADRM CCOCCC1(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)CCCC1 ZINC000827393858 604385308 /nfs/dbraw/zinc/38/53/08/604385308.db2.gz HBMIETKIVLLCGL-CQSZACIVSA-N -1 0 348.443 3.941 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2ccn(C3CCCC3)n2)cc1 ZINC000825449682 604385647 /nfs/dbraw/zinc/38/56/47/604385647.db2.gz WPHHSXBRYQQICX-LBPRGKRZSA-N -1 0 342.399 3.579 20 0 EHADRM CCC(CC)n1ccc(-c2nc(-c3cccc(C(=O)[O-])c3)no2)n1 ZINC000828870717 604404078 /nfs/dbraw/zinc/40/40/78/604404078.db2.gz VKVFMBCPSMKTPP-UHFFFAOYSA-N -1 0 326.356 3.659 20 0 EHADRM Cc1cc(OC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)ccc1Br ZINC000832900114 604416182 /nfs/dbraw/zinc/41/61/82/604416182.db2.gz YPKSCHJOQCDHCX-QWRGUYRKSA-N -1 0 341.201 3.554 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccc(C)c(OC)c1 ZINC000829026600 604428267 /nfs/dbraw/zinc/42/82/67/604428267.db2.gz JYKAMFWWAVSFNG-KRWDZBQOSA-N -1 0 341.407 3.682 20 0 EHADRM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCC[C@H]2c2cccs2)c1 ZINC000652377060 604454055 /nfs/dbraw/zinc/45/40/55/604454055.db2.gz VDPOXYYRMTXWEL-RDJZCZTQSA-N -1 0 347.436 3.728 20 0 EHADRM CC(C)(C)O[C@@H](C(=O)OCc1ccoc1C(=O)[O-])c1ccccc1 ZINC000833445766 604470756 /nfs/dbraw/zinc/47/07/56/604470756.db2.gz GBBRHCDLPGMORJ-OAHLLOKOSA-N -1 0 332.352 3.577 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)OC1CCC(CC(=O)[O-])CC1 ZINC000833535772 604496143 /nfs/dbraw/zinc/49/61/43/604496143.db2.gz MCUHXXYIIDMJSS-VQCLRJIVSA-N -1 0 326.433 3.691 20 0 EHADRM C[C@H](NC(=O)Nc1cc(C(=O)[O-])cs1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000827664934 604499432 /nfs/dbraw/zinc/49/94/32/604499432.db2.gz MGPVPBRRVSITCC-YHAQOWFVSA-N -1 0 346.408 3.521 20 0 EHADRM O=C([O-])c1csc(NC(=O)NCC2(c3ccccc3)CCC2)c1 ZINC000833139008 604500723 /nfs/dbraw/zinc/50/07/23/604500723.db2.gz HKSBFESSLYMIEL-UHFFFAOYSA-N -1 0 330.409 3.690 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@@H]1CC(=O)[O-])c1cc(Cl)ccc1Cl ZINC000827654089 604504668 /nfs/dbraw/zinc/50/46/68/604504668.db2.gz YGIYACQHDHKWIX-GXSJLCMTSA-N -1 0 345.226 3.703 20 0 EHADRM Cc1ccc(SCCNC(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000832958055 604505180 /nfs/dbraw/zinc/50/51/80/604505180.db2.gz SPAAWRRPSXZONT-UHFFFAOYSA-N -1 0 336.438 3.669 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2ccnc(-c3ccccc3)c2)CCCC1 ZINC000833766943 604506229 /nfs/dbraw/zinc/50/62/29/604506229.db2.gz VWAQFGWJFFJRBC-UHFFFAOYSA-N -1 0 339.395 3.515 20 0 EHADRM COc1ccc([C@@H](NC(=O)Nc2cc(C(=O)[O-])cs2)C2CC2)cc1 ZINC000832246535 604507296 /nfs/dbraw/zinc/50/72/96/604507296.db2.gz YVMFFELBVSDIFQ-HNNXBMFYSA-N -1 0 346.408 3.728 20 0 EHADRM O=C([O-])c1csc(NC(=O)N2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000833342143 604508421 /nfs/dbraw/zinc/50/84/21/604508421.db2.gz GXIZBJCECMNRKF-UHFFFAOYSA-N -1 0 346.383 3.907 20 0 EHADRM CC[C@@H](NC(=O)Nc1cc(C(=O)[O-])cs1)c1ccc(F)cc1F ZINC000828951210 604508780 /nfs/dbraw/zinc/50/87/80/604508780.db2.gz GBNOQQSTQATWOY-GFCCVEGCSA-N -1 0 340.351 3.997 20 0 EHADRM COc1ccc([C@@H](NC(=O)Nc2cc(C(=O)[O-])cs2)C(C)C)cc1 ZINC000832245312 604511466 /nfs/dbraw/zinc/51/14/66/604511466.db2.gz JURJWQBCAQHIJE-HNNXBMFYSA-N -1 0 348.424 3.974 20 0 EHADRM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C)c(NC(=O)[O-])c2)C12CCC2 ZINC000827381320 604518370 /nfs/dbraw/zinc/51/83/70/604518370.db2.gz RGTYUNLXDQMFII-HZPDHXFCSA-N -1 0 346.427 3.505 20 0 EHADRM CC(C)[C@H]1c2ccccc2CCN1C(=O)CC1CCN(C(=O)[O-])CC1 ZINC000824164003 604519435 /nfs/dbraw/zinc/51/94/35/604519435.db2.gz DGSQIZINNOJGRF-IBGZPJMESA-N -1 0 344.455 3.549 20 0 EHADRM O=C([O-])c1csc(NC(=O)N2CCC[C@@H](Nc3ccccc3)C2)c1 ZINC000833342729 604522866 /nfs/dbraw/zinc/52/28/66/604522866.db2.gz PMMUYPCVTAZNGG-CQSZACIVSA-N -1 0 345.424 3.555 20 0 EHADRM C[C@H](C1CC1)N(C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])C1CC1 ZINC000827214076 604522957 /nfs/dbraw/zinc/52/29/57/604522957.db2.gz YANIUHGORIDZFJ-DYVFJYSZSA-N -1 0 344.455 3.811 20 0 EHADRM CCC[C@](C)(NC(=O)[O-])C(=O)Nc1ccc(C)c(-c2nc(C)co2)c1 ZINC000826721545 604523438 /nfs/dbraw/zinc/52/34/38/604523438.db2.gz SPWXQQNRMIQZRF-SFHVURJKSA-N -1 0 345.399 3.723 20 0 EHADRM Cc1ccc(NC(=O)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)c(F)c1 ZINC000830390831 604525623 /nfs/dbraw/zinc/52/56/23/604525623.db2.gz XFUCGOADVLPHNM-GFCCVEGCSA-N -1 0 345.374 3.784 20 0 EHADRM CCc1ccccc1NC(=O)NCc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000827604115 604527167 /nfs/dbraw/zinc/52/71/67/604527167.db2.gz GBLJEUAEUBCZHQ-CYBMUJFWSA-N -1 0 341.411 3.899 20 0 EHADRM CCN(C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])C1CCCC1 ZINC000829596750 604532455 /nfs/dbraw/zinc/53/24/55/604532455.db2.gz BHQKGEFYDZZVQD-MRXNPFEDSA-N -1 0 332.444 3.813 20 0 EHADRM CN(C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])c1ccc(F)cc1 ZINC000830500274 604534724 /nfs/dbraw/zinc/53/47/24/604534724.db2.gz NLISYSZWYJPFRM-MRXNPFEDSA-N -1 0 344.386 3.824 20 0 EHADRM Cc1cc([C@H](C)OC(=O)COc2ccc(C)cc2C)oc1C(=O)[O-] ZINC000832950585 604542814 /nfs/dbraw/zinc/54/28/14/604542814.db2.gz DHKCBXOMSKHTMN-ZDUSSCGKSA-N -1 0 332.352 3.586 20 0 EHADRM COc1cc2ccccc2cc1C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000679100571 604545856 /nfs/dbraw/zinc/54/58/56/604545856.db2.gz QSRDMYPLXSOIDD-UHFFFAOYSA-N -1 0 349.386 3.519 20 0 EHADRM COc1ccccc1C1(C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)CC1 ZINC000832600917 604576616 /nfs/dbraw/zinc/57/66/16/604576616.db2.gz BTHOVKQBWDJUIW-GFCCVEGCSA-N -1 0 344.363 3.631 20 0 EHADRM COc1ccc(C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)c(Cl)c1 ZINC000832214100 604583318 /nfs/dbraw/zinc/58/33/18/604583318.db2.gz YJLKFVAMSJBUFK-SECBINFHSA-N -1 0 338.743 3.866 20 0 EHADRM CC[C@@H](Nc1ccccc1)C(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000828999078 604584844 /nfs/dbraw/zinc/58/48/44/604584844.db2.gz PIYXPOWKEPQFGN-TZMCWYRMSA-N -1 0 331.368 3.781 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2cccc(N3CC=CC3)c2)oc1C(=O)[O-] ZINC000832875805 604594094 /nfs/dbraw/zinc/59/40/94/604594094.db2.gz PHMXXPZEEGMKRS-CYBMUJFWSA-N -1 0 341.363 3.580 20 0 EHADRM Cc1cc([C@H](C)OC(=O)[C@@H]2C[C@@H]2Cc2ccccc2)oc1C(=O)[O-] ZINC000832871415 604597876 /nfs/dbraw/zinc/59/78/76/604597876.db2.gz BLKXLBSEEODQGY-AEGPPILISA-N -1 0 328.364 3.769 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C(F)(F)c2c(F)cccc2F)cc1F ZINC000833783003 604644887 /nfs/dbraw/zinc/64/48/87/604644887.db2.gz UCSPYXLLAVJCES-UHFFFAOYSA-N -1 0 345.223 3.533 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CCc2ccc(F)c(F)c2C1 ZINC000832917152 604652911 /nfs/dbraw/zinc/65/29/11/604652911.db2.gz SHCIYRIQVXRXGQ-UHFFFAOYSA-N -1 0 346.333 3.562 20 0 EHADRM CCc1ccccc1C(=O)N[C@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC000193169653 604654854 /nfs/dbraw/zinc/65/48/54/604654854.db2.gz JSZXXYHBGMOUBT-QGZVFWFLSA-N -1 0 343.448 3.917 20 0 EHADRM C[C@H](CC(=O)N(C)[C@H](C)c1ccccc1)C1CCN(C(=O)[O-])CC1 ZINC000824552490 604662209 /nfs/dbraw/zinc/66/22/09/604662209.db2.gz QXBQVEAXRDPJEB-HUUCEWRRSA-N -1 0 332.444 3.622 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@H]1CC(=O)[O-])c1ccc2ccccc2c1 ZINC000827653503 604672856 /nfs/dbraw/zinc/67/28/56/604672856.db2.gz PDTAJDBZLVRGPT-DYVFJYSZSA-N -1 0 326.396 3.550 20 0 EHADRM CC(C)c1ccc([C@H]2CCCN2C(=S)NCCCC(=O)[O-])cc1 ZINC000833509784 604679105 /nfs/dbraw/zinc/67/91/05/604679105.db2.gz FWNZPKZLNNRASL-MRXNPFEDSA-N -1 0 334.485 3.686 20 0 EHADRM CN(C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)C1(C(=O)[O-])CCCC1 ZINC000830455894 604719885 /nfs/dbraw/zinc/71/98/85/604719885.db2.gz AGFKACXBAOKZIP-QZTJIDSGSA-N -1 0 337.419 3.799 20 0 EHADRM COc1cc(NC(=O)c2ccc(Cl)cc2C)ccc1NC(=O)[O-] ZINC000829197807 604720908 /nfs/dbraw/zinc/72/09/08/604720908.db2.gz KCEOPEOHQCZAFK-UHFFFAOYSA-N -1 0 334.759 3.999 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)c2cnc3ccc(F)cc3c2)cc1 ZINC000833686126 604721975 /nfs/dbraw/zinc/72/19/75/604721975.db2.gz YGSZXTVDXWVWGW-UHFFFAOYSA-N -1 0 339.326 3.740 20 0 EHADRM CC(C)CN(Cc1ccccc1F)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000630227771 604724472 /nfs/dbraw/zinc/72/44/72/604724472.db2.gz RZGOYYQXLMVOIC-UHFFFAOYSA-N -1 0 343.398 3.751 20 0 EHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000833386158 604725536 /nfs/dbraw/zinc/72/55/36/604725536.db2.gz XPRUOTGZOMJKMI-CMUBDUJZSA-N -1 0 335.812 3.747 20 0 EHADRM CC(C)[C@@H](C(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccccc1 ZINC000826677144 604729461 /nfs/dbraw/zinc/72/94/61/604729461.db2.gz QARIBAIAPYMNFS-OAHLLOKOSA-N -1 0 332.425 3.539 20 0 EHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000761581082 604736081 /nfs/dbraw/zinc/73/60/81/604736081.db2.gz VWNXNQHLWKTPIQ-JNSOCZORSA-N -1 0 329.783 3.685 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)CCc2ccccc2C(=O)[O-])c(C)c1 ZINC000262095720 604742107 /nfs/dbraw/zinc/74/21/07/604742107.db2.gz DBNWQJLYIRNEQB-MRXNPFEDSA-N -1 0 339.435 3.682 20 0 EHADRM CC(C)(C)c1cnc(NC(=O)CCc2ccccc2C(=O)[O-])s1 ZINC000833449710 604763034 /nfs/dbraw/zinc/76/30/34/604763034.db2.gz RLAOUWKXPWXIBC-UHFFFAOYSA-N -1 0 332.425 3.710 20 0 EHADRM COC1CCC(CC(=O)Oc2cc(Cl)ccc2C(=O)[O-])CC1 ZINC000833718761 604763820 /nfs/dbraw/zinc/76/38/20/604763820.db2.gz FPRMSCZOLCXMCJ-UHFFFAOYSA-N -1 0 326.776 3.539 20 0 EHADRM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000262157359 604775789 /nfs/dbraw/zinc/77/57/89/604775789.db2.gz NQOACXNMDSSHAU-MAUKXSAKSA-N -1 0 337.419 3.722 20 0 EHADRM C[C@H](Oc1ccc(CNc2ccccc2OC(F)F)cc1)C(=O)[O-] ZINC000833539060 604777478 /nfs/dbraw/zinc/77/74/78/604777478.db2.gz JUPQHMGJZGTWIT-NSHDSACASA-N -1 0 337.322 3.752 20 0 EHADRM CC(C)(NC(=O)Cc1ccccc1C(=O)[O-])c1cccc(Cl)c1 ZINC000540775020 604787258 /nfs/dbraw/zinc/78/72/58/604787258.db2.gz ZIHPGGBFJXRYBN-UHFFFAOYSA-N -1 0 331.799 3.632 20 0 EHADRM CC(C)Oc1cccc([C@H](C)NC(=O)Cc2ccccc2C(=O)[O-])c1 ZINC000262229820 604789575 /nfs/dbraw/zinc/78/95/75/604789575.db2.gz NTPBOEBCIOCAKB-AWEZNQCLSA-N -1 0 341.407 3.592 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)Cc1ccccc1C(=O)[O-] ZINC000630295366 604790072 /nfs/dbraw/zinc/79/00/72/604790072.db2.gz RHRAIVWBMPSLKM-VCBZYWHSSA-N -1 0 337.419 3.720 20 0 EHADRM CC1(c2ccccc2)CCN(C(=O)Cc2cccc(C(=O)[O-])c2)CC1 ZINC000262715574 604793914 /nfs/dbraw/zinc/79/39/14/604793914.db2.gz COIVIIGZLADZDF-UHFFFAOYSA-N -1 0 337.419 3.508 20 0 EHADRM CC(C)(C)O[C@@H](C(=O)Nc1cccc(C(=O)[O-])c1O)c1ccccc1 ZINC000833445954 604798488 /nfs/dbraw/zinc/79/84/88/604798488.db2.gz JPTCEYHVNHDPDW-MRXNPFEDSA-N -1 0 343.379 3.585 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(Br)c2)cc1F ZINC000833160539 604807336 /nfs/dbraw/zinc/80/73/36/604807336.db2.gz VGUYKZSFOASSTL-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM CC(C)c1ncc(C(=O)N2CCCc3c(C(=O)[O-])cccc32)s1 ZINC000827159114 604816095 /nfs/dbraw/zinc/81/60/95/604816095.db2.gz WVMPDDDEOFBGAP-UHFFFAOYSA-N -1 0 330.409 3.558 20 0 EHADRM C[C@H](CSCc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000827581765 604816122 /nfs/dbraw/zinc/81/61/22/604816122.db2.gz RGDJDJMABPNEBJ-LLVKDONJSA-N -1 0 335.450 3.954 20 0 EHADRM Cc1ccc2cc(C(=O)N(C)Cc3ccc(C(=O)[O-])cc3)ccc2n1 ZINC000832959010 604821335 /nfs/dbraw/zinc/82/13/35/604821335.db2.gz FAYUBBMOLIOAQK-UHFFFAOYSA-N -1 0 334.375 3.514 20 0 EHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000761392792 604835396 /nfs/dbraw/zinc/83/53/96/604835396.db2.gz PQQBHSHNRUUHML-MOJYJUKOSA-N -1 0 343.810 3.555 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000827257701 604840354 /nfs/dbraw/zinc/84/03/54/604840354.db2.gz QOTIGSUEBAPRHT-LLVKDONJSA-N -1 0 341.860 3.534 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc3ccccc3c2)cc1 ZINC000013187111 604840828 /nfs/dbraw/zinc/84/08/28/604840828.db2.gz UVBLEQMOULXBAA-IBGZPJMESA-N -1 0 349.386 3.794 20 0 EHADRM CCc1ccccc1C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000191101737 604846574 /nfs/dbraw/zinc/84/65/74/604846574.db2.gz BGTJQRWCHPYCTG-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM CC(C)c1cccc(C(=O)N2CCCN(C(=O)[O-])c3ccccc32)n1 ZINC000824470444 604862248 /nfs/dbraw/zinc/86/22/48/604862248.db2.gz PORQSFHGQLKZSW-UHFFFAOYSA-N -1 0 339.395 3.740 20 0 EHADRM CC1(C)CC(C)(C)c2cc(NC(=O)N3CC[C@H](C(=O)[O-])C3)ccc21 ZINC000263122270 604863297 /nfs/dbraw/zinc/86/32/97/604863297.db2.gz XCQDGSSEVALOHV-LBPRGKRZSA-N -1 0 330.428 3.584 20 0 EHADRM C[C@@H](CC(=O)N(C)C1(C(=O)[O-])CCCCC1)c1ccc(F)cc1F ZINC000431987893 604868426 /nfs/dbraw/zinc/86/84/26/604868426.db2.gz RNOUIEUOXWMVOS-LBPRGKRZSA-N -1 0 339.382 3.704 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CCC(=O)N(C)C2(C(=O)[O-])CCCCC2)o1 ZINC000326575827 604868448 /nfs/dbraw/zinc/86/84/48/604868448.db2.gz HLUXIKVODGDBGK-UKRRQHHQSA-N -1 0 333.428 3.582 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000611478733 604878423 /nfs/dbraw/zinc/87/84/23/604878423.db2.gz YUJRMGQWZMJOLT-HOCLYGCPSA-N -1 0 349.496 3.658 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CCC2)C1 ZINC000679102890 604880920 /nfs/dbraw/zinc/88/09/20/604880920.db2.gz JRRVTSIEJSHUAV-HNNXBMFYSA-N -1 0 347.430 3.597 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)/C=C\c1ccc2ccccc2n1)c1ccccc1 ZINC000769516167 604881015 /nfs/dbraw/zinc/88/10/15/604881015.db2.gz UBIILUDADHTIKU-SYGIOELKSA-N -1 0 346.386 3.580 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cc2cc(F)ccc2s1)c1ccccc1 ZINC000013225105 604883425 /nfs/dbraw/zinc/88/34/25/604883425.db2.gz BMPYJIISTYWQFF-CQSZACIVSA-N -1 0 343.379 3.986 20 0 EHADRM CC(C)Cc1ccc(CC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000356688561 604883442 /nfs/dbraw/zinc/88/34/42/604883442.db2.gz CRCUHXCSSVSPSC-IBGZPJMESA-N -1 0 339.435 3.760 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)[C@H]1CCCc2sccc21)c1ccccc1 ZINC000365373734 604883577 /nfs/dbraw/zinc/88/35/77/604883577.db2.gz DABRJBXPWOOGCU-YLQAJVPDSA-N -1 0 343.448 3.746 20 0 EHADRM CC(C)c1ccc(OCC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000236672761 604883931 /nfs/dbraw/zinc/88/39/31/604883931.db2.gz LEBFVCYYJDXSLO-SFHVURJKSA-N -1 0 341.407 3.521 20 0 EHADRM C/C(=C/C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1cccc(F)c1 ZINC000777401162 604886170 /nfs/dbraw/zinc/88/61/70/604886170.db2.gz SZHYLRXOUSYBIH-VSKPTYQZSA-N -1 0 333.403 3.578 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)Cc2ccc3ccccc3c2)C1 ZINC000326863126 604888349 /nfs/dbraw/zinc/88/83/49/604888349.db2.gz UYEBZTDDAHYQQX-SFHVURJKSA-N -1 0 339.435 3.732 20 0 EHADRM C[C@@]1(NC(=O)Cc2ccc3ccccc3c2)CCCC[C@@H]1C(=O)[O-] ZINC000262807613 604890019 /nfs/dbraw/zinc/89/00/19/604890019.db2.gz OMONYIOOYKDREW-YLJYHZDGSA-N -1 0 325.408 3.532 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)[C@@]2(C)CCCc3ccccc32)C1 ZINC000679103555 604890407 /nfs/dbraw/zinc/89/04/07/604890407.db2.gz WRXDEDAIQBBKCW-KKSFZXQISA-N -1 0 343.467 3.630 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000679103167 604896730 /nfs/dbraw/zinc/89/67/30/604896730.db2.gz AICMZKXJOOAGHN-PBHICJAKSA-N -1 0 331.456 3.702 20 0 EHADRM CC[C@H]1CCCCN1C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000829118838 604921255 /nfs/dbraw/zinc/92/12/55/604921255.db2.gz KUEGXACSRBMPGQ-LBPRGKRZSA-N -1 0 340.807 3.600 20 0 EHADRM C[C@H](CC(=O)N1[C@H](C)C[C@H]2CCCC[C@@H]21)C1CCN(C(=O)[O-])CC1 ZINC000824565906 604921477 /nfs/dbraw/zinc/92/14/77/604921477.db2.gz UGAQDNCWRVQVAE-SRABZTEZSA-N -1 0 336.476 3.582 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)cc1F ZINC000833310085 604930880 /nfs/dbraw/zinc/93/08/80/604930880.db2.gz MMCNQDBUSSDUSU-UHFFFAOYSA-N -1 0 347.773 3.982 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)CCc1ccccc1F ZINC000237934279 604932748 /nfs/dbraw/zinc/93/27/48/604932748.db2.gz UBYCWYTYKJXYRE-UHFFFAOYSA-N -1 0 343.398 3.652 20 0 EHADRM CC(C)c1cccc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)n1 ZINC000827129926 604933917 /nfs/dbraw/zinc/93/39/17/604933917.db2.gz ZGBAHCJZVQFOHO-UHFFFAOYSA-N -1 0 340.423 3.712 20 0 EHADRM Cc1cc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)sc1C ZINC000237675882 604936996 /nfs/dbraw/zinc/93/69/96/604936996.db2.gz NFNNSCPZJZVECC-UHFFFAOYSA-N -1 0 331.437 3.872 20 0 EHADRM CCCCC[C@H]1CCCN1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000829347134 604946917 /nfs/dbraw/zinc/94/69/17/604946917.db2.gz HAQPUJLXYQHGOO-HNNXBMFYSA-N -1 0 334.416 3.727 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)CCCc2cc(F)ccc2F)cc1 ZINC000833776761 604954681 /nfs/dbraw/zinc/95/46/81/604954681.db2.gz QJVFTXRZEPUWFA-UHFFFAOYSA-N -1 0 334.318 3.520 20 0 EHADRM CCCC[C@@H]1CCC[C@H]1NC(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000829305100 604966676 /nfs/dbraw/zinc/96/66/76/604966676.db2.gz QKPOJDRNPZAKDN-DGCLKSJQSA-N -1 0 339.461 3.641 20 0 EHADRM C[C@]1(NC(=O)c2sccc2SC(F)F)CCCC[C@@H]1C(=O)[O-] ZINC000833569927 604967599 /nfs/dbraw/zinc/96/75/99/604967599.db2.gz ABXFQKFNIAPMCA-CLAHSXSESA-N -1 0 349.424 3.826 20 0 EHADRM C[C@]1(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CCCC[C@H]1C(=O)[O-] ZINC000262733818 604968134 /nfs/dbraw/zinc/96/81/34/604968134.db2.gz HQIOCERHNOZJPF-KRXQYRFLSA-N -1 0 335.831 3.593 20 0 EHADRM CCCN(Cc1ccccc1)C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000829496467 604988574 /nfs/dbraw/zinc/98/85/74/604988574.db2.gz CCJNWLSNXHZFNG-UHFFFAOYSA-N -1 0 347.440 3.604 20 0 EHADRM CC[C@H](NC(=O)Nc1nc(CCC(=O)[O-])cs1)C1CCCCC1 ZINC000828958056 604991719 /nfs/dbraw/zinc/99/17/19/604991719.db2.gz REWDMWOKHVTBBR-ZDUSSCGKSA-N -1 0 339.461 3.641 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)Nc2nc(CCC(=O)[O-])cs2)c1C ZINC000832966524 604992401 /nfs/dbraw/zinc/99/24/01/604992401.db2.gz PXOVCIPCJMIDSF-LBPRGKRZSA-N -1 0 347.440 3.660 20 0 EHADRM CN(Cc1ccccc1)c1ccc(N[C@@H](C(=O)[O-])c2cccnc2)cc1 ZINC000830855975 604994597 /nfs/dbraw/zinc/99/45/97/604994597.db2.gz GLMQMNQNBJZDLH-HXUWFJFHSA-N -1 0 347.418 3.956 20 0 EHADRM CCc1nc(NC(=O)CCCc2sccc2C)sc1C(=O)[O-] ZINC000833675750 604998401 /nfs/dbraw/zinc/99/84/01/604998401.db2.gz GSUHHYIMRBOGLX-UHFFFAOYSA-N -1 0 338.454 3.735 20 0 EHADRM CC(C)(C)Sc1ccc(NC(=O)c2cncc(C(=O)[O-])c2)cc1 ZINC000833448205 605030213 /nfs/dbraw/zinc/03/02/13/605030213.db2.gz QFHXQUJFROVOCM-UHFFFAOYSA-N -1 0 330.409 3.923 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1cncc(C(=O)[O-])c1 ZINC000630153045 605031417 /nfs/dbraw/zinc/03/14/17/605031417.db2.gz PNRNMXNUGXXFEC-NWDGAFQWSA-N -1 0 346.814 3.697 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1cncc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC000833423580 605032043 /nfs/dbraw/zinc/03/20/43/605032043.db2.gz NVVAWVUUIVKPIO-OAHLLOKOSA-N -1 0 348.349 3.575 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)OCc1ccc(Cl)c2cccnc12 ZINC000833455161 605034417 /nfs/dbraw/zinc/03/44/17/605034417.db2.gz LLFNVPBLGLYPTQ-UHFFFAOYSA-N -1 0 335.787 3.822 20 0 EHADRM CC(=O)CCCCCCC(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000833387373 605048601 /nfs/dbraw/zinc/04/86/01/605048601.db2.gz AKLHPKROSUBJOE-HNNXBMFYSA-N -1 0 331.412 3.521 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000190611208 605065464 /nfs/dbraw/zinc/06/54/64/605065464.db2.gz MHINTSCUWDXJCJ-ZDUSSCGKSA-N -1 0 346.452 3.851 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000236806322 605065480 /nfs/dbraw/zinc/06/54/80/605065480.db2.gz KRYKGFILTJPOLT-UHFFFAOYSA-N -1 0 325.408 3.783 20 0 EHADRM C[C@H](CC(=O)N(CC(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000833515632 605066941 /nfs/dbraw/zinc/06/69/41/605066941.db2.gz KVRPLJMNTDGBFW-GFCCVEGCSA-N -1 0 333.334 3.576 20 0 EHADRM C[C@@H](OC(=O)c1ccccc1OC(F)(F)F)c1ccc(C(=O)[O-])o1 ZINC000833535237 605078850 /nfs/dbraw/zinc/07/88/50/605078850.db2.gz MRDCBAIFUSRVQS-MRVPVSSYSA-N -1 0 344.241 3.794 20 0 EHADRM CC1(C)CC[C@H](C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)C1 ZINC000833557693 605081472 /nfs/dbraw/zinc/08/14/72/605081472.db2.gz WPMIWLXZJIRBGM-JTQLQIEISA-N -1 0 325.792 3.568 20 0 EHADRM C[C@H]1CC[C@@]2(CCN(C(=O)NCCc3ccc(NC(=O)[O-])cc3)C2)C1 ZINC000833610220 605089676 /nfs/dbraw/zinc/08/96/76/605089676.db2.gz JSZCURHPAYKEBP-IFXJQAMLSA-N -1 0 345.443 3.541 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000325440472 605090952 /nfs/dbraw/zinc/09/09/52/605090952.db2.gz UOUDTEHAYWSBFN-UHFFFAOYSA-N -1 0 348.321 3.598 20 0 EHADRM C[C@H]1CC/C(=C/C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)C1 ZINC000833600267 605094116 /nfs/dbraw/zinc/09/41/16/605094116.db2.gz CXNMYGAPTHHTIF-CBFJXKFUSA-N -1 0 338.201 3.832 20 0 EHADRM C[C@H]1CC[C@@]2(CCN(C(=O)Nc3ccc(OCCC(=O)[O-])cc3)C2)C1 ZINC000833609176 605096307 /nfs/dbraw/zinc/09/63/07/605096307.db2.gz GANTWSAPMAVWGP-IFXJQAMLSA-N -1 0 346.427 3.584 20 0 EHADRM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000194388821 605099606 /nfs/dbraw/zinc/09/96/06/605099606.db2.gz YQTXTDKHMGRLHQ-HSBZDZAISA-N -1 0 329.396 3.843 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])c1nc2ccccc2[nH]1 ZINC000683303327 605102969 /nfs/dbraw/zinc/10/29/69/605102969.db2.gz ZJCGJEFMPDWZIN-YVEFUNNKSA-N -1 0 345.443 3.657 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N1CC[C@@]2(CC[C@@H](C)C2)C1)C(=O)[O-] ZINC000450537651 605118750 /nfs/dbraw/zinc/11/87/50/605118750.db2.gz DHISHRZKLQMXRY-PJIJBLCYSA-N -1 0 347.480 3.904 20 0 EHADRM CC1(C)CC[C@@H]2C[C@H](NC(=S)NCCCC(=O)[O-])c3cccc1c32 ZINC000833558528 605123041 /nfs/dbraw/zinc/12/30/41/605123041.db2.gz JLVLLZVSLOZCRP-DOMZBBRYSA-N -1 0 346.496 3.615 20 0 EHADRM CC(C)[C@H](C)N(C)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000132506779 605129222 /nfs/dbraw/zinc/12/92/22/605129222.db2.gz NWKDUIPPAUNJOD-VIFPVBQESA-N -1 0 343.221 3.656 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000190858316 605129470 /nfs/dbraw/zinc/12/94/70/605129470.db2.gz ZVJDUNVNHHGVBW-BMIGLBTASA-N -1 0 335.762 3.671 20 0 EHADRM CC(C)C[C@@H](C)NC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000132498400 605130511 /nfs/dbraw/zinc/13/05/11/605130511.db2.gz YKMMSQIJTWLFAB-SECBINFHSA-N -1 0 343.221 3.703 20 0 EHADRM CCC(CC)n1nc(C(=O)Nc2cc(OC)ccc2C(=O)[O-])cc1C ZINC000833641604 605147926 /nfs/dbraw/zinc/14/79/26/605147926.db2.gz ILIBWCCRDCIMHU-UHFFFAOYSA-N -1 0 345.399 3.512 20 0 EHADRM C[C@H]1CCC[C@@H](OCCCCCC(=O)NC2(C(=O)[O-])CCCC2)C1 ZINC000833611194 605152171 /nfs/dbraw/zinc/15/21/71/605152171.db2.gz WVCCFYAJYZBNFT-JKSUJKDBSA-N -1 0 339.476 3.656 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(NC(=O)[O-])c2)c1C(C)C ZINC000833400567 605159180 /nfs/dbraw/zinc/15/91/80/605159180.db2.gz KJHAQIBCEXTGIC-UHFFFAOYSA-N -1 0 343.383 3.991 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)N[C@H]1C[C@@H]2CCC(C)(C)c3cccc1c32 ZINC000833468001 605160970 /nfs/dbraw/zinc/16/09/70/605160970.db2.gz KTSOJBVMXVNMQQ-NUTKFTJISA-N -1 0 344.455 3.695 20 0 EHADRM CC1(C)CC[C@H]2C[C@H](NC(=O)CCSCC(=O)[O-])c3cccc1c32 ZINC000833558197 605161148 /nfs/dbraw/zinc/16/11/48/605161148.db2.gz DQBAJFSDVAFWFI-WFASDCNBSA-N -1 0 347.480 3.611 20 0 EHADRM Cc1c(C(=O)[O-])csc1NC(=O)c1cnn(-c2ccccc2C)c1 ZINC000833753615 605161195 /nfs/dbraw/zinc/16/11/95/605161195.db2.gz XNQZSHRHBOQCIL-UHFFFAOYSA-N -1 0 341.392 3.501 20 0 EHADRM CCC(CC)n1nc(C(=O)OCc2ccc(C(=O)[O-])s2)cc1C ZINC000833641793 605165530 /nfs/dbraw/zinc/16/55/30/605165530.db2.gz OZGJQLQWWWPKTE-UHFFFAOYSA-N -1 0 336.413 3.669 20 0 EHADRM CCC(CC)n1nc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2F)cc1C ZINC000833641817 605165571 /nfs/dbraw/zinc/16/55/71/605165571.db2.gz PKAUGYKIDNDIHW-MRXNPFEDSA-N -1 0 348.374 3.674 20 0 EHADRM CCC(CC)n1nc(C(=O)O[C@H](C(=O)[O-])c2ccccc2)cc1C ZINC000833641585 605165771 /nfs/dbraw/zinc/16/57/71/605165771.db2.gz HGYCXRHEDBHKLE-INIZCTEOSA-N -1 0 330.384 3.535 20 0 EHADRM CCCN(C(=O)Nc1cncc(C(=O)[O-])c1)[C@H]1CCc2ccccc21 ZINC000833651078 605170127 /nfs/dbraw/zinc/17/01/27/605170127.db2.gz FTIAWSGWRNZECH-KRWDZBQOSA-N -1 0 339.395 3.711 20 0 EHADRM C[C@H](OC(=O)c1cccc(NC(=O)[O-])c1)c1nc2ccccc2o1 ZINC000833534648 605173163 /nfs/dbraw/zinc/17/31/63/605173163.db2.gz GNSKADOSOFMGPT-JTQLQIEISA-N -1 0 326.308 3.836 20 0 EHADRM CC(C)(CNc1cncc(C(=O)[O-])n1)c1cccc(C(F)(F)F)c1 ZINC000833459833 605181782 /nfs/dbraw/zinc/18/17/82/605181782.db2.gz NVIXQXXJUDNDKI-UHFFFAOYSA-N -1 0 339.317 3.583 20 0 EHADRM C[C@H](Nc1cncc(C(=O)[O-])n1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000833524110 605194705 /nfs/dbraw/zinc/19/47/05/605194705.db2.gz AMCXONYPUJFZLO-ZJUUUORDSA-N -1 0 339.317 3.798 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)OCc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000833604857 605195301 /nfs/dbraw/zinc/19/53/01/605195301.db2.gz HMEDHZHIJXVIJR-BXUZGUMPSA-N -1 0 329.352 3.519 20 0 EHADRM CC[C@H](C)[C@@H](C)C(=O)OCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833638467 605196336 /nfs/dbraw/zinc/19/63/36/605196336.db2.gz NDLGCABJTMLJGF-NWDGAFQWSA-N -1 0 331.368 3.765 20 0 EHADRM CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC000833655102 605198391 /nfs/dbraw/zinc/19/83/91/605198391.db2.gz XUTJUFWGWNSTLS-UHFFFAOYSA-N -1 0 347.436 3.525 20 0 EHADRM C[C@H](c1ccncc1)N(C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833549641 605217118 /nfs/dbraw/zinc/21/71/18/605217118.db2.gz FZJSOKBMTXGGBM-CYBMUJFWSA-N -1 0 337.379 3.628 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000826581914 605218437 /nfs/dbraw/zinc/21/84/37/605218437.db2.gz RLKARFXWXWUMHF-UHFFFAOYSA-N -1 0 342.399 3.537 20 0 EHADRM C/C(=C\C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-])c1ccc(F)cc1 ZINC000833383602 605225076 /nfs/dbraw/zinc/22/50/76/605225076.db2.gz VBRZDXLHJWXACY-ZQHYZAEZSA-N -1 0 341.382 3.731 20 0 EHADRM CC(C)C[C@H](OC(=O)C[C@@H](C)C(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000833480933 605229824 /nfs/dbraw/zinc/22/98/24/605229824.db2.gz RTKQMHIKZJUCCZ-RISCZKNCSA-N -1 0 340.803 3.591 20 0 EHADRM CC1=C(C(=O)[O-])C[C@H](CSc2nnc(Nc3ccccc3)s2)O1 ZINC000833581641 605234097 /nfs/dbraw/zinc/23/40/97/605234097.db2.gz PKPFSODZHQMPLR-LLVKDONJSA-N -1 0 349.437 3.521 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC000448988518 605240587 /nfs/dbraw/zinc/24/05/87/605240587.db2.gz FETOWBJFXRSTJF-XJKSGUPXSA-N -1 0 331.437 3.649 20 0 EHADRM C[C@H]1CSC(S[C@@H](Cc2ccc(C(F)(F)F)cc2)C(=O)[O-])=N1 ZINC000833631979 605263309 /nfs/dbraw/zinc/26/33/09/605263309.db2.gz SBFZRIBZTBVURF-KWQFWETISA-N -1 0 349.399 3.926 20 0 EHADRM CCc1ccc(CCNC(=O)Nc2ccc(NC(=O)[O-])c(F)c2)cc1 ZINC000833669302 605279626 /nfs/dbraw/zinc/27/96/26/605279626.db2.gz DUCJRIVDNLYNIY-UHFFFAOYSA-N -1 0 345.374 3.842 20 0 EHADRM Cc1cccc(Oc2ccccc2NC(=O)c2cc(C(=O)[O-])no2)c1 ZINC000833753706 605284901 /nfs/dbraw/zinc/28/49/01/605284901.db2.gz WERLJEPHMRZUKT-UHFFFAOYSA-N -1 0 338.319 3.726 20 0 EHADRM C[C@H](c1c(F)cccc1F)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000833546556 605293589 /nfs/dbraw/zinc/29/35/89/605293589.db2.gz JBRZTBHBHDPQNK-GFCCVEGCSA-N -1 0 335.350 3.621 20 0 EHADRM COCCC[C@@H](C)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000833724475 605294731 /nfs/dbraw/zinc/29/47/31/605294731.db2.gz DKDXSSWCNNYJDH-SNVBAGLBSA-N -1 0 327.446 3.745 20 0 EHADRM CCC(CC)n1nc(C(=O)OCc2ccc(NC(=O)[O-])cc2)cc1C ZINC000833641520 605304057 /nfs/dbraw/zinc/30/40/57/605304057.db2.gz DEIQQKGCTOWMPU-UHFFFAOYSA-N -1 0 345.399 4.000 20 0 EHADRM Cc1cc(C(=O)NCc2nc(C(C)(C)C)cs2)ccc1NC(=O)[O-] ZINC000829956714 605308074 /nfs/dbraw/zinc/30/80/74/605308074.db2.gz MGRKTOHUPUYAPV-UHFFFAOYSA-N -1 0 347.440 3.769 20 0 EHADRM CCCn1c(C)nnc1S[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833653017 605338703 /nfs/dbraw/zinc/33/87/03/605338703.db2.gz RRFGJHRALDEQQG-LBPRGKRZSA-N -1 0 343.811 3.707 20 0 EHADRM CC[C@H]1CN(C(=O)CCCCc2ccc(C)cc2)CC[C@H]1NC(=O)[O-] ZINC000833851002 605341197 /nfs/dbraw/zinc/34/11/97/605341197.db2.gz YJSIBINJDYGNGZ-ZWKOTPCHSA-N -1 0 346.471 3.603 20 0 EHADRM COc1cc(NC(=O)[C@H]2CCCc3sccc32)ccc1NC(=O)[O-] ZINC000829153487 605366902 /nfs/dbraw/zinc/36/69/02/605366902.db2.gz GDOVOFFFBSLJEA-LBPRGKRZSA-N -1 0 346.408 3.905 20 0 EHADRM C[C@@H]1CCC[C@@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000833610022 605367847 /nfs/dbraw/zinc/36/78/47/605367847.db2.gz UXXXVOAJHWYJOH-SWHYSGLUSA-N -1 0 343.345 3.774 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)Cc1ccc(F)cc1Cl ZINC000831558756 605394192 /nfs/dbraw/zinc/39/41/92/605394192.db2.gz UZDLEGUCLQCOLE-UHFFFAOYSA-N -1 0 348.761 3.701 20 0 EHADRM CCC(CC)[C@@H]1C[C@@H](NC(=O)Nc2ccc(C)c(C(=O)[O-])c2)CCO1 ZINC000833642182 605398226 /nfs/dbraw/zinc/39/82/26/605398226.db2.gz HMMJTZRXSLZQBD-RDJZCZTQSA-N -1 0 348.443 3.799 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CC[C@H](C(C)(C)C)C1)C(=O)[O-] ZINC000833546677 605440315 /nfs/dbraw/zinc/44/03/15/605440315.db2.gz UCHGHCOBPKMNFB-STQMWFEESA-N -1 0 335.469 3.760 20 0 EHADRM O=C([O-])N1CC[C@H](CCC(=O)N2CCC[C@@H](c3ccccc3)CC2)C1 ZINC000834075708 605454440 /nfs/dbraw/zinc/45/44/40/605454440.db2.gz LKPPVMHJHQGQRN-FUHWJXTLSA-N -1 0 344.455 3.563 20 0 EHADRM CCCCn1ncc(-c2nc(-c3cccc(NC(=O)[O-])c3)no2)c1C ZINC000826852932 605458479 /nfs/dbraw/zinc/45/84/79/605458479.db2.gz GDXIXBNSNWNBRY-UHFFFAOYSA-N -1 0 341.371 3.799 20 0 EHADRM C[C@@H](C(=O)N(C)c1ccc(OCC(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000833402474 605462044 /nfs/dbraw/zinc/46/20/44/605462044.db2.gz NIHITMBLPMMAKW-GFCCVEGCSA-N -1 0 347.798 3.570 20 0 EHADRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)Nc1cc(Cl)ccc1Cl ZINC000825829612 605468199 /nfs/dbraw/zinc/46/81/99/605468199.db2.gz CDYVXRYRNBFDJH-WPRPVWTQSA-N -1 0 346.214 3.646 20 0 EHADRM Cc1ccc(NC(=O)CC[C@@H]2CCCN2C(=O)[O-])cc1-c1ncco1 ZINC000833904496 605523936 /nfs/dbraw/zinc/52/39/36/605523936.db2.gz DVRODBJDXNKGJU-AWEZNQCLSA-N -1 0 343.383 3.511 20 0 EHADRM CC(C)c1ncc(C(=O)N2CCCN(C(=O)[O-])c3ccccc32)s1 ZINC000824495076 605532037 /nfs/dbraw/zinc/53/20/37/605532037.db2.gz FGMDZOPZKAUWJC-UHFFFAOYSA-N -1 0 345.424 3.801 20 0 EHADRM C[C@@H](c1ccccc1)N(C)C(=O)C[C@@H](NC(=O)[O-])c1ccccc1 ZINC000825638667 605569943 /nfs/dbraw/zinc/56/99/43/605569943.db2.gz OCHVLOBYECCIPK-WMLDXEAASA-N -1 0 326.396 3.605 20 0 EHADRM O=C([O-])N[C@H](CC(=O)Nc1cccc2cccnc21)c1ccccc1 ZINC000832113804 605570513 /nfs/dbraw/zinc/57/05/13/605570513.db2.gz KXJLXYYUCHMRHA-MRXNPFEDSA-N -1 0 335.363 3.572 20 0 EHADRM O=C([O-])N[C@H](CC(=O)N1CCC[C@H]1c1ccccc1)c1ccccc1 ZINC000832095019 605574466 /nfs/dbraw/zinc/57/44/66/605574466.db2.gz YHWWTUAUMYWXHL-MSOLQXFVSA-N -1 0 338.407 3.749 20 0 EHADRM C[C@@H](NC(=O)C[C@H](NC(=O)[O-])c1ccccc1)c1cc(F)ccc1F ZINC000825101245 605579330 /nfs/dbraw/zinc/57/93/30/605579330.db2.gz NXFIKPAHCCWLMU-BZNIZROVSA-N -1 0 348.349 3.541 20 0 EHADRM CC[C@H](NC(=O)c1ccc(NC(=O)[O-])c(C)c1)c1ccc(OC)cc1 ZINC000826613801 605579964 /nfs/dbraw/zinc/57/99/64/605579964.db2.gz RBZYJQUSWMJVBW-INIZCTEOSA-N -1 0 342.395 3.975 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N2CCc3ccsc3C2)c1 ZINC000834262585 605591328 /nfs/dbraw/zinc/59/13/28/605591328.db2.gz VOCKVTUXXQMBCK-UHFFFAOYSA-N -1 0 335.360 3.567 20 0 EHADRM Cc1cc(C(=O)N(C)Cc2ccc(F)c(F)c2)ccc1NC(=O)[O-] ZINC000829914222 605592696 /nfs/dbraw/zinc/59/26/96/605592696.db2.gz BQKZCBPLTAORDE-UHFFFAOYSA-N -1 0 334.322 3.635 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)c2ccc(NC(=O)[O-])c(C)c2)cc1 ZINC000829302628 605596468 /nfs/dbraw/zinc/59/64/68/605596468.db2.gz ITMYHYGKPHUDRF-GFCCVEGCSA-N -1 0 328.368 3.585 20 0 EHADRM O=C([O-])Nc1cccc(CNC2(c3noc(C4CC4)n3)CCCC2)c1 ZINC000834269739 605601180 /nfs/dbraw/zinc/60/11/80/605601180.db2.gz OYSLBMVIZRCPEZ-UHFFFAOYSA-N -1 0 342.399 3.596 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(N(C)C)c(C)c2)ccc1NC(=O)[O-] ZINC000829965617 605610344 /nfs/dbraw/zinc/61/03/44/605610344.db2.gz ALGLCERLDPFXEO-UHFFFAOYSA-N -1 0 327.384 3.712 20 0 EHADRM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000833606538 605674190 /nfs/dbraw/zinc/67/41/90/605674190.db2.gz QYNQWMOPVNIFPH-KOLCDFICSA-N -1 0 330.306 3.580 20 0 EHADRM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000833604815 605675722 /nfs/dbraw/zinc/67/57/22/605675722.db2.gz GWVIHOIDVRKBHP-SMDDNHRTSA-N -1 0 343.345 3.507 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000740046870 605677005 /nfs/dbraw/zinc/67/70/05/605677005.db2.gz RYGXCEWHJLFHGB-VHSXEESVSA-N -1 0 330.306 3.627 20 0 EHADRM O=C([O-])NC1CCC(Nc2ccc(-n3ccnc3)c(Cl)c2)CC1 ZINC000834166447 605697911 /nfs/dbraw/zinc/69/79/11/605697911.db2.gz FFOCUMLXSXHGAF-UHFFFAOYSA-N -1 0 334.807 3.516 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NCc1ccc(OC2CCCC2)cc1 ZINC000340582507 605704696 /nfs/dbraw/zinc/70/46/96/605704696.db2.gz XRCBYEATAFDUHQ-UHFFFAOYSA-N -1 0 333.428 3.515 20 0 EHADRM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccccc1C(=O)[O-] ZINC000820228898 605714630 /nfs/dbraw/zinc/71/46/30/605714630.db2.gz WYYZDEFPVFDPDT-UWVGGRQHSA-N -1 0 330.306 3.580 20 0 EHADRM Cc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2Cl)nc1 ZINC000833748346 605715917 /nfs/dbraw/zinc/71/59/17/605715917.db2.gz ZKUUNHJCTLVPKK-ZDUSSCGKSA-N -1 0 340.162 3.680 20 0 EHADRM Cc1noc(C)c1[C@@H](C)Cc1nc([C@@H]2CCCCCN2C(=O)[O-])no1 ZINC000833926969 605719952 /nfs/dbraw/zinc/71/99/52/605719952.db2.gz AKKHCZHYDWVQJY-GWCFXTLKSA-N -1 0 348.403 3.616 20 0 EHADRM Cc1ccc(C(F)(F)c2nc([C@H](CC(C)C)NC(=O)[O-])no2)cc1 ZINC000833904545 605738156 /nfs/dbraw/zinc/73/81/56/605738156.db2.gz JSCRGEBTXGROPL-LBPRGKRZSA-N -1 0 339.342 3.873 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2ccc([C@@H]3CCCOC3)cc2)cc1 ZINC000834263141 605755827 /nfs/dbraw/zinc/75/58/27/605755827.db2.gz WYGJGZUYYOQGDQ-OAHLLOKOSA-N -1 0 340.379 3.923 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2ccc([C@H]3CCCOC3)cc2)cc1 ZINC000834263140 605756373 /nfs/dbraw/zinc/75/63/73/605756373.db2.gz WYGJGZUYYOQGDQ-HNNXBMFYSA-N -1 0 340.379 3.923 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N2CCC[C@]3(CC=CCC3)C2)c1 ZINC000834265425 605770165 /nfs/dbraw/zinc/77/01/65/605770165.db2.gz OJRCULYGHBAEDH-LJQANCHMSA-N -1 0 328.412 3.668 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N2CC[C@H]2c2ccc(Cl)cc2)c1 ZINC000834264393 605771743 /nfs/dbraw/zinc/77/17/43/605771743.db2.gz LMMRIVCQXGBHCM-INIZCTEOSA-N -1 0 344.798 3.946 20 0 EHADRM COc1cc(OC)c(NCc2cc(C(=O)[O-])ccc2Cl)cc1F ZINC000833728710 605785548 /nfs/dbraw/zinc/78/55/48/605785548.db2.gz KDGMCXJFGQHOHH-UHFFFAOYSA-N -1 0 339.750 3.807 20 0 EHADRM COC(=O)c1ccc(F)c(CSCc2cc(C(=O)[O-])c(C)o2)c1 ZINC000833716029 605787335 /nfs/dbraw/zinc/78/73/35/605787335.db2.gz MINXZNOTCXGQON-UHFFFAOYSA-N -1 0 338.356 3.645 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC000834266627 605804190 /nfs/dbraw/zinc/80/41/90/605804190.db2.gz RWONKRLKHFVJGP-UHFFFAOYSA-N -1 0 339.395 3.558 20 0 EHADRM O=C([O-])N[C@@H]1C[C@H](NCc2nc(C3CC3)cs2)c2ccccc21 ZINC000834158071 605805313 /nfs/dbraw/zinc/80/53/13/605805313.db2.gz LNXCHOZSRKVKJN-UONOGXRCSA-N -1 0 329.425 3.564 20 0 EHADRM O=C([O-])c1ccc(F)c(COC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)c1 ZINC000833781061 605810108 /nfs/dbraw/zinc/81/01/08/605810108.db2.gz OSTCTBFSLOYXLI-HUUCEWRRSA-N -1 0 332.302 3.510 20 0 EHADRM O=C([O-])c1ccc(F)c(COC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000833781263 605814308 /nfs/dbraw/zinc/81/43/08/605814308.db2.gz XPSCEFYLMLLKIN-CMPLNLGQSA-N -1 0 348.292 3.936 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)Nc2nc3ccsc3s2)c1 ZINC000834268105 605814428 /nfs/dbraw/zinc/81/44/28/605814428.db2.gz DDBYEEXEHUEJNM-UHFFFAOYSA-N -1 0 333.394 3.629 20 0 EHADRM C[C@@H](OC(=O)c1cc(C(=O)[O-])no1)c1ccc(Cl)c(Cl)c1 ZINC000833531992 605825760 /nfs/dbraw/zinc/82/57/60/605825760.db2.gz MPMUOTZCAVWSQD-ZCFIWIBFSA-N -1 0 330.123 3.598 20 0 EHADRM Cc1cc(C(=O)O[C@@H](C)c2nc(C(C)(C)C)no2)ccc1NC(=O)[O-] ZINC000829972339 605834418 /nfs/dbraw/zinc/83/44/18/605834418.db2.gz ZAXNTVVAHHJOSB-JTQLQIEISA-N -1 0 347.371 3.683 20 0 EHADRM Cc1scc(C(=O)NCc2ccc([C@H](C)NC(=O)[O-])cc2)c1C ZINC000833939091 605866199 /nfs/dbraw/zinc/86/61/99/605866199.db2.gz WHLDZLLMBHZQFI-NSHDSACASA-N -1 0 332.425 3.624 20 0 EHADRM Cc1cc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)ccc1NC(=O)[O-] ZINC000829939686 605876608 /nfs/dbraw/zinc/87/66/08/605876608.db2.gz GOYQMYQSVQKRER-RYUDHWBXSA-N -1 0 344.333 3.936 20 0 EHADRM C[C@@H](C(=O)Nc1cc(NC(=O)[O-])ccc1F)c1c(F)cccc1F ZINC000833791015 605922762 /nfs/dbraw/zinc/92/27/62/605922762.db2.gz SBKANWZWJXPXHJ-MRVPVSSYSA-N -1 0 338.285 3.936 20 0 EHADRM Cc1nc2cc(NC(=O)c3sc(NC(=O)[O-])nc3C)ccc2s1 ZINC000833917245 605954150 /nfs/dbraw/zinc/95/41/50/605954150.db2.gz PKXPGMVZMWNYFM-UHFFFAOYSA-N -1 0 348.409 3.712 20 0 EHADRM O=C([O-])NC[C@@H]1CCN(C(=O)N(c2ccccc2)c2ccccc2)C1 ZINC000834227091 605954721 /nfs/dbraw/zinc/95/47/21/605954721.db2.gz ZZRSCUGHESKZQM-HNNXBMFYSA-N -1 0 339.395 3.534 20 0 EHADRM O=C([O-])NC[C@@H]1CCCCN1C(=O)Nc1cccc(Cl)c1Cl ZINC000834217159 605958328 /nfs/dbraw/zinc/95/83/28/605958328.db2.gz BNMWOGUAVYJXGG-VIFPVBQESA-N -1 0 346.214 3.647 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)Nc2ccc(-c3ccc[nH]3)cc2)c1 ZINC000834266024 605976420 /nfs/dbraw/zinc/97/64/20/605976420.db2.gz JRVXPGGGJKTAKA-UHFFFAOYSA-N -1 0 335.363 3.953 20 0 EHADRM O=C([O-])Nc1cccc(CSc2n[nH]c(-c3ccccc3O)n2)c1 ZINC000834267880 605992483 /nfs/dbraw/zinc/99/24/83/605992483.db2.gz CSBPPEPMWHVQJZ-UHFFFAOYSA-N -1 0 342.380 3.560 20 0 EHADRM Cc1noc(C(F)(F)F)c1C(=O)Nc1cc(NC(=O)[O-])ccc1C ZINC000833905839 606008557 /nfs/dbraw/zinc/00/85/57/606008557.db2.gz CPKRYILGJMDXNT-UHFFFAOYSA-N -1 0 343.261 3.652 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCCOc1ccccc1C ZINC000833906593 606011767 /nfs/dbraw/zinc/01/17/67/606011767.db2.gz HMQUCFRKGMBLAG-UHFFFAOYSA-N -1 0 343.383 3.594 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCCc1cc(F)ccc1F ZINC000833906618 606011783 /nfs/dbraw/zinc/01/17/83/606011783.db2.gz ILHJIVMQVZWHOK-UHFFFAOYSA-N -1 0 349.337 3.727 20 0 EHADRM O=C([O-])N1CCCc2cccc(OC[C@@H](O)c3cc(F)ccc3F)c21 ZINC000834114372 606038389 /nfs/dbraw/zinc/03/83/89/606038389.db2.gz AYVXDRXWYRROGS-OAHLLOKOSA-N -1 0 349.333 3.508 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N(CCc1ccccc1)C1CC1 ZINC000834270300 606054726 /nfs/dbraw/zinc/05/47/26/606054726.db2.gz DDDIBKGZWAFFQH-UHFFFAOYSA-N -1 0 338.407 3.553 20 0 EHADRM Cc1cc(C(=O)Nc2cc(NC(=O)[O-])ccc2C)nn1[C@@H](C)C1CC1 ZINC000833906681 606099533 /nfs/dbraw/zinc/09/95/33/606099533.db2.gz XBQUNEKRKKGSDS-LBPRGKRZSA-N -1 0 342.399 3.813 20 0 EHADRM O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CCC2(CCCC2)CC1 ZINC001164419334 718894188 /nfs/dbraw/zinc/89/41/88/718894188.db2.gz IDFFKSRVANIXCM-UHFFFAOYSA-N -1 0 345.777 3.534 20 0 EHADRM Cc1ccc(CC(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)s1 ZINC000191479919 939037458 /nfs/dbraw/zinc/03/74/58/939037458.db2.gz VDFKPLUNUMWEQA-GOSISDBHSA-N -1 0 339.416 3.694 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000236885697 939044818 /nfs/dbraw/zinc/04/48/18/939044818.db2.gz MSUGIICKIBWNFG-KUHUBIRLSA-N -1 0 341.407 3.521 20 0 EHADRM CC1CCC(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)(C(=O)[O-])CC1 ZINC000236807602 939045034 /nfs/dbraw/zinc/04/50/34/939045034.db2.gz GCYPONZXAXNQQN-OSGDMYBRSA-N -1 0 335.831 3.593 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(C(=O)NC2(C(=O)[O-])CCC2)cc1F ZINC000237650498 939047673 /nfs/dbraw/zinc/04/76/73/939047673.db2.gz QYJLRUBRDDKZEU-UHFFFAOYSA-N -1 0 345.345 3.677 20 0 EHADRM O=C([O-])C1(NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)CCCCCC1 ZINC000237942857 939052152 /nfs/dbraw/zinc/05/21/52/939052152.db2.gz ATCQBZSNNQNHCN-ZIAGYGMSSA-N -1 0 335.831 3.737 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@H]1C[C@H]1c1cccc2ccccc21)c1ccccc1 ZINC000238008432 939054088 /nfs/dbraw/zinc/05/40/88/939054088.db2.gz REDMFYXIKZKPGR-UFYCRDLUSA-N -1 0 345.398 3.885 20 0 EHADRM C[C@](NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC000766961767 939082620 /nfs/dbraw/zinc/08/26/20/939082620.db2.gz JMYIZJPJAMLQBM-GPMSIDNRSA-N -1 0 343.810 3.560 20 0 EHADRM Cc1cccc([C@@H](NC(=O)Cc2ccc(Cl)s2)C(=O)[O-])c1C ZINC000262954263 939089068 /nfs/dbraw/zinc/08/90/68/939089068.db2.gz HLLZSXOEFQTTOS-OAHLLOKOSA-N -1 0 337.828 3.503 20 0 EHADRM Cc1ccsc1[C@H]1C[C@@H]1C(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC000263136756 939103102 /nfs/dbraw/zinc/10/31/02/939103102.db2.gz TXKPNNGLAADRRB-JYJNAYRXSA-N -1 0 343.448 3.719 20 0 EHADRM COc1ccc(NC(=O)NC2(C(=O)[O-])CCCCCC2)cc1Cl ZINC000320372025 939123425 /nfs/dbraw/zinc/12/34/25/939123425.db2.gz OZZPMDDEBZPUQP-UHFFFAOYSA-N -1 0 340.807 3.648 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)c(C)s1 ZINC000320829980 939124147 /nfs/dbraw/zinc/12/41/47/939124147.db2.gz NJVYXIYZSCKDCA-IAQYHMDHSA-N -1 0 338.473 3.759 20 0 EHADRM CCCOc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccccc2)c(C)c1 ZINC000780459980 939124958 /nfs/dbraw/zinc/12/49/58/939124958.db2.gz YCEGEJUMGWEZQJ-QGZVFWFLSA-N -1 0 342.395 3.731 20 0 EHADRM CC(C)c1ccc(NC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000324437802 939125455 /nfs/dbraw/zinc/12/54/55/939125455.db2.gz RSNOMVXTVDFRMV-IBGZPJMESA-N -1 0 326.396 3.932 20 0 EHADRM CCC1CCC(NC(=O)c2csc(-c3ccoc3)n2)(C(=O)[O-])CC1 ZINC000346016608 939128313 /nfs/dbraw/zinc/12/83/13/939128313.db2.gz OGIMNVTYDIVAJI-UHFFFAOYSA-N -1 0 348.424 3.557 20 0 EHADRM C[C@H](C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1)c1ccsc1 ZINC000345773865 939128484 /nfs/dbraw/zinc/12/84/84/939128484.db2.gz BIJGDORXOQMHOO-SDBXPKJASA-N -1 0 341.791 3.586 20 0 EHADRM C[C@H](NC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)[C@@H]1CC2CCC1CC2 ZINC000381755730 939132169 /nfs/dbraw/zinc/13/21/69/939132169.db2.gz WNCQSGWZOUQJMF-HUSDCHSJSA-N -1 0 344.455 3.500 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1cccc(C(F)F)c1)c1cccs1 ZINC000386407638 939132694 /nfs/dbraw/zinc/13/26/94/939132694.db2.gz JAFLNKTYFCISCY-NSHDSACASA-N -1 0 326.324 3.633 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1ccc(C(F)F)cc1)C1CCCCC1 ZINC000386425838 939132790 /nfs/dbraw/zinc/13/27/90/939132790.db2.gz MIQVVKQIUWUMNW-ZDUSSCGKSA-N -1 0 326.343 3.779 20 0 EHADRM O=C([O-])C1(NC(=O)CCc2cccc(C(F)(F)F)c2)CCCCC1 ZINC000430325912 939148621 /nfs/dbraw/zinc/14/86/21/939148621.db2.gz UHHXGSOUYANRQQ-UHFFFAOYSA-N -1 0 343.345 3.542 20 0 EHADRM Cc1cc(C)cc([C@@H](NC(=O)Nc2nc(C3CC3)cs2)C(=O)[O-])c1 ZINC000788321287 939150453 /nfs/dbraw/zinc/15/04/53/939150453.db2.gz JNYUALGYVCEBLQ-CQSZACIVSA-N -1 0 345.424 3.585 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1ccc(-c2ccccc2)cc1)c1cccnc1 ZINC000788320768 939150488 /nfs/dbraw/zinc/15/04/88/939150488.db2.gz FTLCVFMUMQYYPP-GOSISDBHSA-N -1 0 347.374 3.696 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)c(C)c1 ZINC000788321756 939151024 /nfs/dbraw/zinc/15/10/24/939151024.db2.gz MJFUJGXULHNHQR-MRXNPFEDSA-N -1 0 330.359 3.698 20 0 EHADRM COc1ccc([C@H](NC(=O)CC2CCC(C)(C)CC2)C(=O)[O-])cc1 ZINC000431796940 939159466 /nfs/dbraw/zinc/15/94/66/939159466.db2.gz BJECJSLPDQUPQO-KRWDZBQOSA-N -1 0 333.428 3.544 20 0 EHADRM CC(C)CCSCC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000431866105 939164281 /nfs/dbraw/zinc/16/42/81/939164281.db2.gz STMAXDBFXADGQX-GOSISDBHSA-N -1 0 345.464 3.861 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC000450525734 939207714 /nfs/dbraw/zinc/20/77/14/939207714.db2.gz SGSMWHXLZRYIIK-QMTHXVAHSA-N -1 0 337.828 3.522 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)C1CCCC1 ZINC000852949057 939239808 /nfs/dbraw/zinc/23/98/08/939239808.db2.gz AHDJUYTTXXLHLW-QGZVFWFLSA-N -1 0 330.428 3.506 20 0 EHADRM Cc1nc2ccc(NC(=O)NC3(C(=O)[O-])CCCCC3)cc2s1 ZINC000517608532 939248636 /nfs/dbraw/zinc/24/86/36/939248636.db2.gz JTGQVEFUJJHCMY-UHFFFAOYSA-N -1 0 333.413 3.514 20 0 EHADRM CC[C@@H](NC(=O)N[C@H](C(=O)[O-])c1ccsc1)c1ccc(C)cc1 ZINC000520708940 939255209 /nfs/dbraw/zinc/25/52/09/939255209.db2.gz XGBQHDAYWHTAOF-CABCVRRESA-N -1 0 332.425 3.633 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1ccc(F)cc1)c1ccc2ccccc2c1 ZINC000555760049 939302019 /nfs/dbraw/zinc/30/20/19/939302019.db2.gz HLPRZAOENQFUTI-QGZVFWFLSA-N -1 0 338.338 3.926 20 0 EHADRM CCO[C@H]1C[C@](NC(=O)Nc2cccc(C(C)C)c2)(C(=O)[O-])C1(C)C ZINC000555852986 939307026 /nfs/dbraw/zinc/30/70/26/939307026.db2.gz QJVOZHLKBHFUIR-KXBFYZLASA-N -1 0 348.443 3.590 20 0 EHADRM Cc1ccc([C@@H](NC(=O)Nc2ccc3[nH]ccc3c2)C(=O)[O-])cc1C ZINC000559586591 939317405 /nfs/dbraw/zinc/31/74/05/939317405.db2.gz SFIIPGYCWMRHRD-QGZVFWFLSA-N -1 0 337.379 3.732 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)NC3(C(=O)[O-])CCCC3)cc2s1 ZINC000566580336 939355362 /nfs/dbraw/zinc/35/53/62/939355362.db2.gz SVWGPUAZURTYPV-UHFFFAOYSA-N -1 0 347.440 3.939 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC000566864342 939358083 /nfs/dbraw/zinc/35/80/83/939358083.db2.gz BSWPBQCYJKSFCL-PXAZEXFGSA-N -1 0 331.437 3.746 20 0 EHADRM CCOc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)c1 ZINC000567850959 939363889 /nfs/dbraw/zinc/36/38/89/939363889.db2.gz OMJVXLWDVINKEB-QGZVFWFLSA-N -1 0 342.395 3.650 20 0 EHADRM O=C([O-])[C@H](NC(=O)CC1CCC(C(F)(F)F)CC1)c1ccsc1 ZINC000569121904 939373073 /nfs/dbraw/zinc/37/30/73/939373073.db2.gz NKBXXYSHHBYLII-QEIKUCIBSA-N -1 0 349.374 3.749 20 0 EHADRM Cc1ccc(CNC(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)c(C)c1 ZINC000570116791 939380733 /nfs/dbraw/zinc/38/07/33/939380733.db2.gz UXJMVPNNZPEPOY-SFHVURJKSA-N -1 0 340.423 3.545 20 0 EHADRM CC[C@H](NC(=O)N[C@@H](C(=O)[O-])c1ccccc1)c1ccc(Cl)cc1 ZINC000570306720 939382758 /nfs/dbraw/zinc/38/27/58/939382758.db2.gz QPJQMHRDVPTWAD-JKSUJKDBSA-N -1 0 346.814 3.916 20 0 EHADRM O=C([O-])[C@H](NC(=O)N[C@@H]1CCCCc2ccccc21)c1ccsc1 ZINC000572198081 939397377 /nfs/dbraw/zinc/39/73/77/939397377.db2.gz KNYRLXBSYLNFAQ-HZPDHXFCSA-N -1 0 344.436 3.641 20 0 EHADRM CC[C@](NC(=O)c1[nH]ccc1C1CC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000909607913 939723144 /nfs/dbraw/zinc/72/31/44/939723144.db2.gz MNMIAOOPWALZBF-GOSISDBHSA-N -1 0 346.814 3.665 20 0 EHADRM CCCn1ccc2ccc(NC(=O)NC3(C(=O)[O-])CCCCC3)cc21 ZINC000574954634 939730832 /nfs/dbraw/zinc/73/08/32/939730832.db2.gz ROFDZKJGISNJOX-UHFFFAOYSA-N -1 0 343.427 3.960 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2c(s1)CCCCC2)c1ccsc1 ZINC000576528011 939739739 /nfs/dbraw/zinc/73/97/39/939739739.db2.gz CRVGZZPDUFBYQE-CQSZACIVSA-N -1 0 335.450 3.634 20 0 EHADRM Cc1cc(C)cc([C@H](NC(=O)NCc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC000578480086 939754456 /nfs/dbraw/zinc/75/44/56/939754456.db2.gz UILVXUZQGMOKOZ-INIZCTEOSA-N -1 0 346.814 3.582 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)NC2(C(=O)[O-])CCCC2)cc1 ZINC000579026309 939759314 /nfs/dbraw/zinc/75/93/14/939759314.db2.gz SXQIJDBUABFVGM-LBPRGKRZSA-N -1 0 336.457 3.556 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N[C@@H](C(=O)[O-])c2cccnc2)cc1 ZINC000910982808 939764828 /nfs/dbraw/zinc/76/48/28/939764828.db2.gz QKHDXNJJNSMTJV-AUUYWEPGSA-N -1 0 340.423 3.641 20 0 EHADRM CC(C)(C)c1ccc(OCCCC(=O)NC2(C(=O)[O-])CCCC2)cc1 ZINC000582140272 939782437 /nfs/dbraw/zinc/78/24/37/939782437.db2.gz AJSOXBBFPTXGPH-UHFFFAOYSA-N -1 0 347.455 3.657 20 0 EHADRM Cc1cc(C(F)F)oc1C(=O)N[C@H](C(=O)[O-])C1CCCCCC1 ZINC000911782630 939782574 /nfs/dbraw/zinc/78/25/74/939782574.db2.gz WUKZPDKWMPXPKR-LBPRGKRZSA-N -1 0 329.343 3.679 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)NC3(C(=O)[O-])CCC3)cc2s1 ZINC000582219417 939783255 /nfs/dbraw/zinc/78/32/55/939783255.db2.gz YILQIBCWGOIWFC-UHFFFAOYSA-N -1 0 333.413 3.549 20 0 EHADRM Cc1c(Cl)cc(NC(=O)N[C@@](C)(C(=O)[O-])C2CC2)cc1Cl ZINC000584270113 939796579 /nfs/dbraw/zinc/79/65/79/939796579.db2.gz USSPGECBDNPTSJ-CQSZACIVSA-N -1 0 331.199 3.677 20 0 EHADRM C[C@@H](NC(=O)[C@H](C(=O)[O-])C1CCCC1)c1ccc(Cl)c(F)c1 ZINC001118574466 939812372 /nfs/dbraw/zinc/81/23/72/939812372.db2.gz IFBKBDZQEGQIPS-YMTOWFKASA-N -1 0 327.783 3.547 20 0 EHADRM C[C@](NC(=O)CC1CC(c2ccccc2)C1)(C(=O)[O-])c1ccccc1 ZINC000648332695 939832029 /nfs/dbraw/zinc/83/20/29/939832029.db2.gz XUBUSUZFFCJNKP-AEJJIKPWSA-N -1 0 337.419 3.687 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1ccc(Oc2ccncc2)cc1)C1CCCC1 ZINC000663070438 939852535 /nfs/dbraw/zinc/85/25/35/939852535.db2.gz MVBPRPANFGPAIA-KRWDZBQOSA-N -1 0 340.379 3.703 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1NC(=O)[C@H](C(=O)[O-])C1CC1 ZINC000663083842 939853518 /nfs/dbraw/zinc/85/35/18/939853518.db2.gz PFENNMZZHXARPL-QGZVFWFLSA-N -1 0 325.364 3.837 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000675979165 939864145 /nfs/dbraw/zinc/86/41/45/939864145.db2.gz CGTBUFSGTFNKOW-VBKZILBWSA-N -1 0 343.398 3.511 20 0 EHADRM C[C@](NC(=O)C[C@H]1CCCc2ccccc21)(C(=O)[O-])c1ccccc1 ZINC000675980549 939865016 /nfs/dbraw/zinc/86/50/16/939865016.db2.gz VVLMEZGCBUJZQN-IIBYNOLFSA-N -1 0 337.419 3.613 20 0 EHADRM CCCCc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000678986827 939869204 /nfs/dbraw/zinc/86/92/04/939869204.db2.gz OGLPVADAXZOYIH-QGZVFWFLSA-N -1 0 329.371 3.724 20 0 EHADRM C[C@H]1CCc2c(C(=O)N[C@H](C(=O)[O-])c3ccccc3F)csc2C1 ZINC000678987183 939869219 /nfs/dbraw/zinc/86/92/19/939869219.db2.gz PTADMOGHBKSXKM-QFYYESIMSA-N -1 0 347.411 3.568 20 0 EHADRM Cc1cc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c(C)s1 ZINC000678990828 939869696 /nfs/dbraw/zinc/86/96/96/939869696.db2.gz PADHOIFOXIZTSN-ZDUSSCGKSA-N -1 0 341.791 3.713 20 0 EHADRM C[C@@H](C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)c1ccc(Cl)s1 ZINC000683307153 939870324 /nfs/dbraw/zinc/87/03/24/939870324.db2.gz IEUGNNATYJUMDF-QLJPJBMISA-N -1 0 337.828 3.621 20 0 EHADRM C[C@H](C(=O)N[C@]1(C(=O)[O-])CCc2ccccc21)c1ccc(Cl)s1 ZINC000683310221 939870704 /nfs/dbraw/zinc/87/07/04/939870704.db2.gz RKSUGJKAMYMCLI-DYZYQPBXSA-N -1 0 349.839 3.548 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cc1Cl ZINC000683921346 939871165 /nfs/dbraw/zinc/87/11/65/939871165.db2.gz NJDQIWMUNBZPEV-CQSZACIVSA-N -1 0 336.750 3.735 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CCCCCCCC2)c(F)cc1F ZINC000321544041 970781108 /nfs/dbraw/zinc/78/11/08/970781108.db2.gz IHGIQVLFAXFOKS-UHFFFAOYSA-N -1 0 326.343 3.851 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2nc3ccccc3s2)CCCCC1 ZINC000321669163 970795966 /nfs/dbraw/zinc/79/59/66/970795966.db2.gz UXGVQKSIQGOVKV-UHFFFAOYSA-N -1 0 333.413 3.595 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1F ZINC000321790871 970808885 /nfs/dbraw/zinc/80/88/85/970808885.db2.gz VBBLBOXRWUMCET-ZZXKWVIFSA-N -1 0 337.709 3.968 20 0 EHADRM Cc1ccnc2ccc(C(=O)N[C@H]3C[C@@H](C(=O)[O-])c4ccccc43)cc12 ZINC001600602700 970835114 /nfs/dbraw/zinc/83/51/14/970835114.db2.gz XVOGQFBSYNFKHW-MJGOQNOKSA-N -1 0 346.386 3.586 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000322104459 970847334 /nfs/dbraw/zinc/84/73/34/970847334.db2.gz JUUSXRCAYLGJJU-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM CSc1ccccc1C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000322397320 970882981 /nfs/dbraw/zinc/88/29/81/970882981.db2.gz SPOIFGXGFCPFEW-ZDUSSCGKSA-N -1 0 327.405 3.627 20 0 EHADRM Cc1ccc([C@@H]2CCN(C(=O)Nc3cccc(CC(=O)[O-])c3)C2)cc1 ZINC001611177406 970925545 /nfs/dbraw/zinc/92/55/45/970925545.db2.gz VBYVCVZYWGXRAD-QGZVFWFLSA-N -1 0 338.407 3.644 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)Nc2ccc(CC(F)(F)F)cc2)o1 ZINC001601235914 970959623 /nfs/dbraw/zinc/95/96/23/970959623.db2.gz IIKFJPVWNXXWGT-SOFGYWHQSA-N -1 0 339.269 3.735 20 0 EHADRM CCc1ccc(NC(=O)c2ccc(Cl)cc2OC)c(C(=O)[O-])c1 ZINC000323400801 971000109 /nfs/dbraw/zinc/00/01/09/971000109.db2.gz NFOVXSRMBMEKIZ-UHFFFAOYSA-N -1 0 333.771 3.862 20 0 EHADRM CCC(CC)(C(=O)[O-])c1csc(-c2cccc(OC)c2OC)n1 ZINC000323757906 971034773 /nfs/dbraw/zinc/03/47/73/971034773.db2.gz USUKLHNMCYOBEQ-UHFFFAOYSA-N -1 0 335.425 3.970 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)COc1c(C)cc(C)cc1C ZINC000323833784 971043916 /nfs/dbraw/zinc/04/39/16/971043916.db2.gz MQJNKEADKDLCJO-UHFFFAOYSA-N -1 0 333.409 3.697 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)CCCC2CCCCC2)c2ccccc2O1 ZINC000323868942 971049282 /nfs/dbraw/zinc/04/92/82/971049282.db2.gz IELNZLLQYIZPQA-QGZVFWFLSA-N -1 0 331.412 3.616 20 0 EHADRM Cc1nc(-c2c[nH]c(C(=O)Nc3ccc(C(=O)[O-])cc3C)c2)cs1 ZINC000324058696 971079033 /nfs/dbraw/zinc/07/90/33/971079033.db2.gz WFOIHRWFLVEMPR-UHFFFAOYSA-N -1 0 341.392 3.706 20 0 EHADRM O=C([O-])Cc1noc(-c2ccc(-c3cccc4cccnc43)cc2)n1 ZINC001611513824 971090181 /nfs/dbraw/zinc/09/01/81/971090181.db2.gz ARPAYJHCILLCOL-UHFFFAOYSA-N -1 0 331.331 3.579 20 0 EHADRM CC[C@@H](NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000324357488 971111954 /nfs/dbraw/zinc/11/19/54/971111954.db2.gz QERKHIMZZYUECB-QGZVFWFLSA-N -1 0 326.396 3.678 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc3ccccc3c2O)ccc1F ZINC000324303647 971107137 /nfs/dbraw/zinc/10/71/37/971107137.db2.gz PWMFEXVORBBAGH-UHFFFAOYSA-N -1 0 325.295 3.635 20 0 EHADRM CC(C)Oc1cccc([C@@H](C)NC(=O)c2ccccc2C(=O)[O-])c1 ZINC000324386510 971116293 /nfs/dbraw/zinc/11/62/93/971116293.db2.gz OVBQUJQQTZULRP-CYBMUJFWSA-N -1 0 327.380 3.663 20 0 EHADRM Cc1ccc(SCC(=O)N(CCC(=O)[O-])c2ccccc2C)cc1 ZINC000324498530 971125902 /nfs/dbraw/zinc/12/59/02/971125902.db2.gz QIJIHLHRHUVXAE-UHFFFAOYSA-N -1 0 343.448 3.903 20 0 EHADRM CC(C)c1cccc(OCC(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC000324499484 971126553 /nfs/dbraw/zinc/12/65/53/971126553.db2.gz QPTGOSKPPCECTN-UHFFFAOYSA-N -1 0 331.343 3.665 20 0 EHADRM O=C([O-])CC1(CNC(=O)C2(c3ccc(Cl)cc3)CC2)CCCCC1 ZINC000324728070 971151548 /nfs/dbraw/zinc/15/15/48/971151548.db2.gz WFZMHQNQQPASTC-UHFFFAOYSA-N -1 0 349.858 3.913 20 0 EHADRM Cc1ccc(NC(=O)CCc2nc3ccccc3s2)cc1C(=O)[O-] ZINC000324729619 971152855 /nfs/dbraw/zinc/15/28/55/971152855.db2.gz IYHURYWBXPGJRS-UHFFFAOYSA-N -1 0 340.404 3.874 20 0 EHADRM Cc1oc(CNC(=O)Nc2ccccc2C(F)(F)F)cc1C(=O)[O-] ZINC000325129153 971188109 /nfs/dbraw/zinc/18/81/09/971188109.db2.gz HVPLRUOHBOUXOV-UHFFFAOYSA-N -1 0 342.273 3.627 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccc(SC(F)(F)F)nc2)c1 ZINC001602432928 971194839 /nfs/dbraw/zinc/19/48/39/971194839.db2.gz ZOVPLCFIQLWZPL-UHFFFAOYSA-N -1 0 342.298 3.644 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000325303913 971203706 /nfs/dbraw/zinc/20/37/06/971203706.db2.gz ANFCEWOZEFMWOG-BBRMVZONSA-N -1 0 330.428 3.845 20 0 EHADRM COc1ccc(NC(=O)N(Cc2cccs2)C2CC2)c(C(=O)[O-])c1 ZINC000325417095 971213571 /nfs/dbraw/zinc/21/35/71/971213571.db2.gz MRSMOHRUULBMLO-UHFFFAOYSA-N -1 0 346.408 3.651 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)c(C)o1 ZINC000325544215 971224795 /nfs/dbraw/zinc/22/47/95/971224795.db2.gz HILDLUQIMGQFLO-MRVPVSSYSA-N -1 0 338.310 3.756 20 0 EHADRM Cc1cc([C@H](C)NC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)c(C)o1 ZINC000325544216 971225178 /nfs/dbraw/zinc/22/51/78/971225178.db2.gz HILDLUQIMGQFLO-QMMMGPOBSA-N -1 0 338.310 3.756 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2ccc(C(F)(F)F)cc2)CCCCC1 ZINC000325548782 971225921 /nfs/dbraw/zinc/22/59/21/971225921.db2.gz UUWVSFZYYQOBGB-UHFFFAOYSA-N -1 0 344.333 3.862 20 0 EHADRM O=C([O-])c1cccc2c1CCN(Cc1csc(-c3ccco3)n1)C2 ZINC000325601343 971230376 /nfs/dbraw/zinc/23/03/76/971230376.db2.gz OQMWBBPXAZXMNU-UHFFFAOYSA-N -1 0 340.404 3.660 20 0 EHADRM CCCOc1cccc(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)c1 ZINC000325635792 971233017 /nfs/dbraw/zinc/23/30/17/971233017.db2.gz VJGCSKLULOVUMB-UHFFFAOYSA-N -1 0 335.306 3.704 20 0 EHADRM O=C([O-])[C@@H]1CN(Cc2coc(-c3cccs3)n2)Cc2ccccc21 ZINC000325649424 971233885 /nfs/dbraw/zinc/23/38/85/971233885.db2.gz YDTLXLFYWZBUBR-OAHLLOKOSA-N -1 0 340.404 3.587 20 0 EHADRM CC(C)(C)C1=CCN(C(=O)Nc2cccc(CCC(=O)[O-])c2)CC1 ZINC000326007437 971260899 /nfs/dbraw/zinc/26/08/99/971260899.db2.gz HIIJUYOTBHERSH-UHFFFAOYSA-N -1 0 330.428 3.914 20 0 EHADRM Cc1oc(CNC(=O)c2ccc(F)c3ccccc23)cc1C(=O)[O-] ZINC000326164399 971271616 /nfs/dbraw/zinc/27/16/16/971271616.db2.gz FOZSEUUOGYIHIN-UHFFFAOYSA-N -1 0 327.311 3.509 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000326229506 971275079 /nfs/dbraw/zinc/27/50/79/971275079.db2.gz IPWSHMMRANISET-MRXNPFEDSA-N -1 0 349.858 3.911 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2ccc(-n3cccc3)cc2)CCCCC1 ZINC000326403521 971289854 /nfs/dbraw/zinc/28/98/54/971289854.db2.gz OBZKLQGWLOSQJL-UHFFFAOYSA-N -1 0 340.423 3.632 20 0 EHADRM CC(C)c1ccc(CNC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000326578075 971305195 /nfs/dbraw/zinc/30/51/95/971305195.db2.gz AILBYQCXPIXELI-UHFFFAOYSA-N -1 0 340.423 3.850 20 0 EHADRM CCc1ccc(NC(=O)[C@@H](C)Oc2cccc(C)c2)c(C(=O)[O-])c1 ZINC000326750765 971324689 /nfs/dbraw/zinc/32/46/89/971324689.db2.gz LDTRIHRUAPROOQ-CYBMUJFWSA-N -1 0 327.380 3.662 20 0 EHADRM COc1cc(NC(=O)N[C@@H]2CCCc3sccc32)ccc1C(=O)[O-] ZINC000326885005 971340147 /nfs/dbraw/zinc/34/01/47/971340147.db2.gz DOGUZTMNYVUTDL-CYBMUJFWSA-N -1 0 346.408 3.654 20 0 EHADRM Cc1cccc(OCCCC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000326994976 971354562 /nfs/dbraw/zinc/35/45/62/971354562.db2.gz VEXRJSJNVHIITR-MRXNPFEDSA-N -1 0 347.455 3.503 20 0 EHADRM O=C([O-])[C@H]1CCN(Cc2ncc(-c3ccccc3)o2)c2ccccc21 ZINC000327021901 971357471 /nfs/dbraw/zinc/35/74/71/971357471.db2.gz IQUGQMHUCOUXBB-INIZCTEOSA-N -1 0 334.375 3.920 20 0 EHADRM COc1ccccc1-c1cc(C(=O)[O-])nn1-c1cc(F)c(F)cc1F ZINC000327143849 971370629 /nfs/dbraw/zinc/37/06/29/971370629.db2.gz VFGQYYUCKDHGNH-UHFFFAOYSA-N -1 0 348.280 3.663 20 0 EHADRM O=C([O-])[C@H]1CCCCCN1C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000327287476 971384176 /nfs/dbraw/zinc/38/41/76/971384176.db2.gz VXDZVBRIYJKVNY-GOSISDBHSA-N -1 0 339.391 3.948 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000327292229 971384297 /nfs/dbraw/zinc/38/42/97/971384297.db2.gz NEOZPZRTNWAHJG-CQDKDKBSSA-N -1 0 345.370 3.738 20 0 EHADRM CC(C)Oc1ccc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000327381777 971394783 /nfs/dbraw/zinc/39/47/83/971394783.db2.gz ONVZZCRGACEVMA-KRWDZBQOSA-N -1 0 339.391 3.693 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000327391832 971395618 /nfs/dbraw/zinc/39/56/18/971395618.db2.gz YJJZCIFPZHANFB-CYBMUJFWSA-N -1 0 342.395 3.884 20 0 EHADRM C[C@]12CC3CC(C(=O)NCc4ccc(C(=O)[O-])cc4)(C1)C[C@@](C)(C3)C2 ZINC000327470336 971401212 /nfs/dbraw/zinc/40/12/12/971401212.db2.gz XMDJLZGFYJVQKC-LVBDODCMSA-N -1 0 341.451 3.998 20 0 EHADRM Cc1ccc2oc(C(=O)N3C[C@@H](C(=O)[O-])Cc4ccccc43)cc2c1 ZINC000327551391 971408093 /nfs/dbraw/zinc/40/80/93/971408093.db2.gz AZDWHDXANVEJNE-HNNXBMFYSA-N -1 0 335.359 3.645 20 0 EHADRM C[C@H]1Cc2ccccc2N(CCOc2ccc(/C=C\C(=O)[O-])cc2)C1 ZINC000327646815 971415118 /nfs/dbraw/zinc/41/51/18/971415118.db2.gz UPKVYSWRTNLASI-CLOOOTJHSA-N -1 0 337.419 3.862 20 0 EHADRM C/C(=C\c1c(Cl)cccc1Cl)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001602736344 971423303 /nfs/dbraw/zinc/42/33/03/971423303.db2.gz QMAVLJHVOAGUEC-XAVKZTDYSA-N -1 0 342.222 3.720 20 0 EHADRM Cc1cccc(OCCCC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])c1 ZINC000327818331 971426197 /nfs/dbraw/zinc/42/61/97/971426197.db2.gz MEKLRGOKTSVSAW-SFHVURJKSA-N -1 0 347.455 3.694 20 0 EHADRM Cc1ccc2c(CC(=O)N[C@@H](CC3CCCCC3)C(=O)[O-])coc2c1 ZINC000327851037 971428890 /nfs/dbraw/zinc/42/88/90/971428890.db2.gz UKNYZBWBIKHOAC-KRWDZBQOSA-N -1 0 343.423 3.824 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)Cc1ccc2c(c1)CCCC2 ZINC000327961538 971437823 /nfs/dbraw/zinc/43/78/23/971437823.db2.gz VOOMHIQCIPPSCG-IBGZPJMESA-N -1 0 343.467 3.648 20 0 EHADRM Cc1cc(-c2noc(-c3cccc(C(=O)[O-])c3)n2)nc2ccccc12 ZINC000328273173 971459122 /nfs/dbraw/zinc/45/91/22/971459122.db2.gz FXJLXBFMRQSIQJ-UHFFFAOYSA-N -1 0 331.331 3.958 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC001589561473 948816426 /nfs/dbraw/zinc/81/64/26/948816426.db2.gz WEIMAEVDODGAAP-QZTJIDSGSA-N -1 0 348.487 3.704 20 0 EHADRM CC(C)[C@H](NC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)[O-] ZINC000037407739 948827971 /nfs/dbraw/zinc/82/79/71/948827971.db2.gz RVGYSECXYOLPKS-NSHDSACASA-N -1 0 329.780 3.533 20 0 EHADRM C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1sccc1C(=O)[O-] ZINC000037450678 948833880 /nfs/dbraw/zinc/83/38/80/948833880.db2.gz YNOHDHRFIXWNNO-QMMMGPOBSA-N -1 0 325.773 3.506 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000336895432 971516394 /nfs/dbraw/zinc/51/63/94/971516394.db2.gz YWIREURAQPMVMI-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM Cc1ccc(NCc2csc(-c3ccccn3)n2)cc1C(=O)[O-] ZINC000340671173 971517532 /nfs/dbraw/zinc/51/75/32/971517532.db2.gz KGDJIHHFTGBKAE-UHFFFAOYSA-N -1 0 325.393 3.824 20 0 EHADRM Cc1cc(C)c(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)[nH]1 ZINC000345894079 971520018 /nfs/dbraw/zinc/52/00/18/971520018.db2.gz ZOZYIPACBRCRCS-UHFFFAOYSA-N -1 0 332.425 3.592 20 0 EHADRM Cc1[nH]c2c(cccc2C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)c1C ZINC000347399854 971525291 /nfs/dbraw/zinc/52/52/91/971525291.db2.gz GBHNSNDMOAXVLS-UHFFFAOYSA-N -1 0 348.402 3.681 20 0 EHADRM CCCC[C@H](NC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000347255818 971521634 /nfs/dbraw/zinc/52/16/34/971521634.db2.gz DSHTWXLVHVNMMQ-ZANVPECISA-N -1 0 332.227 3.857 20 0 EHADRM CCCC[C@@H](NC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000347255817 971521833 /nfs/dbraw/zinc/52/18/33/971521833.db2.gz DSHTWXLVHVNMMQ-TVQRCGJNSA-N -1 0 332.227 3.857 20 0 EHADRM CCCC[C@H](NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000347264223 971522695 /nfs/dbraw/zinc/52/26/95/971522695.db2.gz RKOHNYGELVPJSZ-RISCZKNCSA-N -1 0 345.361 3.959 20 0 EHADRM CCCC[C@H](NC(=O)c1ccccc1Nc1ccccc1)C(=O)[O-] ZINC000347268662 971523034 /nfs/dbraw/zinc/52/30/34/971523034.db2.gz ZGIKVXPDSYLHMD-KRWDZBQOSA-N -1 0 326.396 3.803 20 0 EHADRM CCCC[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3)C(=O)[O-] ZINC000347368489 971524736 /nfs/dbraw/zinc/52/47/36/971524736.db2.gz QWGFFSWHJSGGSX-KPZWWZAWSA-N -1 0 342.439 3.666 20 0 EHADRM CCC[C@H](NC(=O)C1(Sc2ccc(C)cc2)CCCC1)C(=O)[O-] ZINC000347382469 971525160 /nfs/dbraw/zinc/52/51/60/971525160.db2.gz JTNNDAAAWZESQM-HNNXBMFYSA-N -1 0 335.469 3.769 20 0 EHADRM O=C([O-])[C@@H](CC1CC1)NC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000347518734 971526305 /nfs/dbraw/zinc/52/63/05/971526305.db2.gz MXAVDWCHJLLOSW-CYBMUJFWSA-N -1 0 333.384 3.537 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(OCC(=O)[O-])cc1)c1cc2ccccc2o1 ZINC000354174006 971530387 /nfs/dbraw/zinc/53/03/87/971530387.db2.gz WTJOKEXKGDXPNN-GFCCVEGCSA-N -1 0 339.347 3.638 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2c2cccc(F)c2)c(F)c1 ZINC000358585208 971531804 /nfs/dbraw/zinc/53/18/04/971531804.db2.gz FMKSFLRBVMYYFF-INIZCTEOSA-N -1 0 331.318 3.640 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2Cc2ccc(F)cc2)c(F)c1 ZINC000358614473 971532389 /nfs/dbraw/zinc/53/23/89/971532389.db2.gz YROCXBAWQAJGOU-HNNXBMFYSA-N -1 0 345.345 3.510 20 0 EHADRM CN(Cc1ccc(F)cc1Cl)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000358615130 971532603 /nfs/dbraw/zinc/53/26/03/971532603.db2.gz UYORBAWKTGNTFZ-UHFFFAOYSA-N -1 0 339.725 3.589 20 0 EHADRM C[C@@H]1CCCCCN1C(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000361095711 971533409 /nfs/dbraw/zinc/53/34/09/971533409.db2.gz KCPSKDROCXYIIJ-SNVBAGLBSA-N -1 0 340.217 3.552 20 0 EHADRM CCOc1cccc(NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])c1 ZINC000362492216 971534621 /nfs/dbraw/zinc/53/46/21/971534621.db2.gz JRBSXWGELDZQJV-LBPRGKRZSA-N -1 0 345.420 3.903 20 0 EHADRM COc1ccc(NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])cc1 ZINC000362404099 971535238 /nfs/dbraw/zinc/53/52/38/971535238.db2.gz SHYFNMOCLGXICM-LLVKDONJSA-N -1 0 331.393 3.513 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@H](c2ccccc2)C(C)C)C1 ZINC001589596270 949147252 /nfs/dbraw/zinc/14/72/52/949147252.db2.gz JJWIFRNZNXAAMZ-QFBILLFUSA-N -1 0 332.444 3.670 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(-c3cccs3)o2)C1 ZINC001589603181 949204731 /nfs/dbraw/zinc/20/47/31/949204731.db2.gz IILFGUJEDXLTDV-KRWDZBQOSA-N -1 0 333.409 3.725 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(-c3ccco3)s2)C1 ZINC001589604508 949227494 /nfs/dbraw/zinc/22/74/94/949227494.db2.gz VNNBMPZBDVLDOP-QGZVFWFLSA-N -1 0 333.409 3.725 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)N(c1nc2ccccc2s1)c1ccccc1 ZINC001602796961 971564989 /nfs/dbraw/zinc/56/49/89/971564989.db2.gz LXPYUYNOEZYXJK-NSHDSACASA-N -1 0 326.377 3.682 20 0 EHADRM O=C([O-])c1ccc(CN2CCN(C3CC3)c3cc(F)ccc32)s1 ZINC001595227460 949316653 /nfs/dbraw/zinc/31/66/53/949316653.db2.gz KGKKIZUZLPJNFJ-UHFFFAOYSA-N -1 0 332.400 3.574 20 0 EHADRM CC[C@H](C)[C@H](Nc1ncnc2sc3c(c21)CC[C@H](C)C3)C(=O)[O-] ZINC000137337983 949337409 /nfs/dbraw/zinc/33/74/09/949337409.db2.gz NLXGXLBEULRIGZ-BHDSKKPTSA-N -1 0 333.457 3.727 20 0 EHADRM CCC1(CC)CN(C(=O)C2(C(=O)[O-])CCCCCC2)CCS1 ZINC001589612617 949338216 /nfs/dbraw/zinc/33/82/16/949338216.db2.gz VTQSYZWGEMUSJV-UHFFFAOYSA-N -1 0 327.490 3.546 20 0 EHADRM CC1(C)CN(C(=O)Nc2cccc(CCC(=O)[O-])c2)[C@@H]2CCC[C@@H]21 ZINC000378739900 971576181 /nfs/dbraw/zinc/57/61/81/971576181.db2.gz OQOALSZVNKFTSA-JKSUJKDBSA-N -1 0 330.428 3.746 20 0 EHADRM Cc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC000160963046 949382140 /nfs/dbraw/zinc/38/21/40/949382140.db2.gz UBRFQDRKRUUNCC-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM CC[C@H]1CCc2c(sc(NC(=O)[C@@H](C)SC)c2C(=O)[O-])C1 ZINC001589622663 949436524 /nfs/dbraw/zinc/43/65/24/949436524.db2.gz LLXJTARORFGXLM-BDAKNGLRSA-N -1 0 327.471 3.651 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)c1cncc2ccccc21 ZINC001595239127 949438245 /nfs/dbraw/zinc/43/82/45/949438245.db2.gz PIBLUTKQTKFEAH-UHFFFAOYSA-N -1 0 332.359 3.526 20 0 EHADRM CC[C@@H]1CN(C(=O)[C@@]2(C(=O)[O-])CC2(C)C)CC[C@H]1c1ccccc1 ZINC001589624087 949451019 /nfs/dbraw/zinc/45/10/19/949451019.db2.gz ACDBXHPMSZYIRF-AKCHCHLHSA-N -1 0 329.440 3.530 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCCc3cccc(OC(F)F)c32)c1 ZINC001595241071 949454281 /nfs/dbraw/zinc/45/42/81/949454281.db2.gz VHOCNKFLHKACPT-UHFFFAOYSA-N -1 0 347.317 3.579 20 0 EHADRM CC[C@H]1CCc2c(sc(NC(=O)c3ocnc3C)c2C(=O)[O-])C1 ZINC001589625185 949470575 /nfs/dbraw/zinc/47/05/75/949470575.db2.gz XGKBSHSIPCTHRR-VIFPVBQESA-N -1 0 334.397 3.510 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)c2cc3sc4ccccc4c3s2)C1 ZINC000178269890 949488437 /nfs/dbraw/zinc/48/84/37/949488437.db2.gz KNRZYGYJWKPDFV-VIFPVBQESA-N -1 0 331.418 3.663 20 0 EHADRM O=C([O-])c1cccc(N[C@@H]2CCCc3c2cnn3Cc2ccccc2)n1 ZINC001595249183 949535908 /nfs/dbraw/zinc/53/59/08/949535908.db2.gz SRCHZHNCJPWCBN-MRXNPFEDSA-N -1 0 348.406 3.514 20 0 EHADRM O=C([O-])[C@H]1CCCN1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000219682514 949554267 /nfs/dbraw/zinc/55/42/67/949554267.db2.gz JSJAYSXXOWKNSW-OAHLLOKOSA-N -1 0 326.352 3.560 20 0 EHADRM CCCCC1CCC(CNC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC001589639541 949663479 /nfs/dbraw/zinc/66/34/79/949663479.db2.gz AIXQVRQEMGGCMZ-VXLLPVPCSA-N -1 0 338.492 3.735 20 0 EHADRM CCCCCCOc1ccc(CC(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC001589645953 949735055 /nfs/dbraw/zinc/73/50/55/949735055.db2.gz YTXCTTUBSPIHGC-GOSISDBHSA-N -1 0 347.455 3.654 20 0 EHADRM Cc1c(Cl)cccc1NC(=O)CSc1nc(C(=O)[O-])cs1 ZINC000379163853 971607167 /nfs/dbraw/zinc/60/71/67/971607167.db2.gz MZWNMJLSJZXWRL-UHFFFAOYSA-N -1 0 342.829 3.534 20 0 EHADRM CCCCO[C@@H]1C[C@@H](NC(=O)C2(C(=O)[O-])CCCCCC2)C1(C)C ZINC001589652972 949792969 /nfs/dbraw/zinc/79/29/69/949792969.db2.gz OTYGZEUGKDHTGI-HUUCEWRRSA-N -1 0 339.476 3.512 20 0 EHADRM CCCCOc1ccc(CCNC(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC001589653920 949797499 /nfs/dbraw/zinc/79/74/99/949797499.db2.gz BGSFIJRMWMIDOQ-UHFFFAOYSA-N -1 0 341.407 3.536 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)CCCc1ccc(F)c(F)c1 ZINC000237981106 949985661 /nfs/dbraw/zinc/98/56/61/949985661.db2.gz XRFXRLFTWZWLSO-CQSZACIVSA-N -1 0 339.382 3.533 20 0 EHADRM CCC(CC)[C@H](NC(=O)N(C)C[C@H](C)C(=O)[O-])c1cccs1 ZINC000262942285 950196181 /nfs/dbraw/zinc/19/61/81/950196181.db2.gz HMMWOAPFMNYWGQ-FZMZJTMJSA-N -1 0 326.462 3.588 20 0 EHADRM Cc1nc(-c2ccco2)ccc1C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000262981096 950204795 /nfs/dbraw/zinc/20/47/95/950204795.db2.gz RCEMPRNCAYQXBU-AWEZNQCLSA-N -1 0 342.395 3.510 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000263033914 950224510 /nfs/dbraw/zinc/22/45/10/950224510.db2.gz BOTDLLGORFXHIK-RKDXNWHRSA-N -1 0 331.199 3.568 20 0 EHADRM CCN(C(=O)CCC(=O)[O-])[C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC001589700575 950231885 /nfs/dbraw/zinc/23/18/85/950231885.db2.gz SFSFFWRKLMJLOX-SFHVURJKSA-N -1 0 346.814 3.538 20 0 EHADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(SCc2ccccc2)cc1 ZINC000263290721 950353759 /nfs/dbraw/zinc/35/37/59/950353759.db2.gz MAWQTRYSQINDMP-IYBDPMFKSA-N -1 0 341.432 3.572 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)CSc2ccc3ccccc3c2)C1 ZINC000263341036 950382499 /nfs/dbraw/zinc/38/24/99/950382499.db2.gz NMICNUAKIFSUOV-BBRMVZONSA-N -1 0 343.448 3.501 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN1C(=O)c1cccc(Oc2ccccc2)c1 ZINC000263380107 950421002 /nfs/dbraw/zinc/42/10/02/950421002.db2.gz BHEIPKSMPAMGJL-LJQANCHMSA-N -1 0 325.364 3.558 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000263535145 950504708 /nfs/dbraw/zinc/50/47/08/950504708.db2.gz YTFJAVPATAOINN-WOPDTQHZSA-N -1 0 341.860 3.532 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCCc2c1cccc2C(F)(F)F ZINC001602846915 971681547 /nfs/dbraw/zinc/68/15/47/971681547.db2.gz DCOJYPOQOCYODU-ZDUSSCGKSA-N -1 0 343.345 3.732 20 0 EHADRM O=C([O-])CC1(C(=O)NC[C@@H]2CCCC[C@H]2c2ccccc2)CCC1 ZINC001594974514 950905998 /nfs/dbraw/zinc/90/59/98/950905998.db2.gz QIKBIXQTKQDOBO-IRXDYDNUSA-N -1 0 329.440 3.722 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@H]2CCc3c2cccc3Cl)CCCCC1 ZINC001594977951 950948848 /nfs/dbraw/zinc/94/88/48/950948848.db2.gz BYNVCBBVAFWFGE-AWEZNQCLSA-N -1 0 335.831 3.664 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C)C(=O)Nc1cccnc1C(=O)[O-] ZINC000322145783 951025373 /nfs/dbraw/zinc/02/53/73/951025373.db2.gz RNBZXHDQLMETHT-SNVBAGLBSA-N -1 0 333.775 3.658 20 0 EHADRM CCCCc1ccc(CC(=O)N2CCC[C@](CC)(C(=O)[O-])C2)cc1 ZINC000325037444 951078559 /nfs/dbraw/zinc/07/85/59/951078559.db2.gz OIIQFGSRXDQZHZ-FQEVSTJZSA-N -1 0 331.456 3.675 20 0 EHADRM Cc1[nH]c2ccc(C(=O)N3Cc4ccccc4[C@H](C(=O)[O-])C3)cc2c1C ZINC000347380037 951132746 /nfs/dbraw/zinc/13/27/46/951132746.db2.gz VCSCHVZJDLYGJJ-GOSISDBHSA-N -1 0 348.402 3.609 20 0 EHADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000345798686 951133949 /nfs/dbraw/zinc/13/39/49/951133949.db2.gz AFVCVTXHNJBGQT-GFCCVEGCSA-N -1 0 347.798 3.637 20 0 EHADRM CC(C)(C)CCCCNC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001602861907 971726725 /nfs/dbraw/zinc/72/67/25/971726725.db2.gz SZRXQHNCTXYPMV-INIZCTEOSA-N -1 0 332.444 3.596 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Nc1snc2ccccc21 ZINC001595012084 951252989 /nfs/dbraw/zinc/25/29/89/951252989.db2.gz LFADMOHJLCVHLK-LLVKDONJSA-N -1 0 333.413 3.548 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2c[nH]c3cc(Cl)ccc23)C1 ZINC001595015204 951279798 /nfs/dbraw/zinc/27/97/98/951279798.db2.gz NETLGFXCIPSBGV-LLVKDONJSA-N -1 0 334.803 3.538 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2ccc(SC3CC3)cc2)CC1 ZINC001595019787 951316726 /nfs/dbraw/zinc/31/67/26/951316726.db2.gz BRAUTNVWFOTECD-UHFFFAOYSA-N -1 0 333.453 3.658 20 0 EHADRM CCOc1ccccc1[C@H](CC)NC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001593042843 951387722 /nfs/dbraw/zinc/38/77/22/951387722.db2.gz JMNGIFNFFPCKJM-RDJZCZTQSA-N -1 0 333.428 3.544 20 0 EHADRM C[C@H](CN(C)C(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000391991370 951411397 /nfs/dbraw/zinc/41/13/97/951411397.db2.gz CFOGWNOCYZLWOZ-CYBMUJFWSA-N -1 0 328.368 3.663 20 0 EHADRM Cc1cc(C)c(NCc2nc(C(=O)[O-])cs2)c(Br)c1 ZINC000381179434 971744220 /nfs/dbraw/zinc/74/42/20/971744220.db2.gz ZIWCAYRXAQFXLH-UHFFFAOYSA-N -1 0 341.230 3.833 20 0 EHADRM O=C([O-])CCSCC(=O)Nc1ccccc1Oc1ccccc1 ZINC001595064091 951533357 /nfs/dbraw/zinc/53/33/57/951533357.db2.gz XYCDEPBCAYSNTH-UHFFFAOYSA-N -1 0 331.393 3.625 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000398708932 951600967 /nfs/dbraw/zinc/60/09/67/951600967.db2.gz URMVLSAZQRWQAJ-RKDXNWHRSA-N -1 0 331.199 3.568 20 0 EHADRM C[C@H](NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)[C@@H]1CC2CCC1CC2 ZINC000381735815 971773537 /nfs/dbraw/zinc/77/35/37/971773537.db2.gz TXQMABGPUHHKAW-UESGHJTASA-N -1 0 344.455 3.741 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc(C(F)(F)F)ccc2Cl)ccn1 ZINC001595210444 952361591 /nfs/dbraw/zinc/36/15/91/952361591.db2.gz UWBPQJHCNRNEIC-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM CC(C)(C)OCc1ccc(NC(=O)NCCC(C)(C)C(=O)[O-])cc1 ZINC001602916775 971873662 /nfs/dbraw/zinc/87/36/62/971873662.db2.gz ILDXHZCFWFEVBH-UHFFFAOYSA-N -1 0 336.432 3.624 20 0 EHADRM C[C@H](c1ccccc1)N(C)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000383623884 971882001 /nfs/dbraw/zinc/88/20/01/971882001.db2.gz CNVNOCBIIAMOCI-SNVBAGLBSA-N -1 0 334.322 3.888 20 0 EHADRM CC(C)(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)Cc1ccc(Cl)cc1 ZINC001602928966 971896402 /nfs/dbraw/zinc/89/64/02/971896402.db2.gz RFOAOOKLZSTYCJ-CQSZACIVSA-N -1 0 337.847 3.622 20 0 EHADRM CC(C)(CNC(=O)Nc1cc(C(=O)[O-])ccn1)c1cccc(Cl)c1 ZINC001602948169 971917857 /nfs/dbraw/zinc/91/78/57/971917857.db2.gz FLLUSDSFVLICSG-UHFFFAOYSA-N -1 0 347.802 3.533 20 0 EHADRM CCS[C@@H]1CCC[C@H](NC(=O)C2(C(=O)[O-])CCCCCC2)C1 ZINC001593599415 953401533 /nfs/dbraw/zinc/40/15/33/953401533.db2.gz ZNWXMXZBIQVDPR-UONOGXRCSA-N -1 0 327.490 3.592 20 0 EHADRM CC(C)(CCNC(=O)c1c[nH]cc1-c1ccc(Cl)s1)C(=O)[O-] ZINC000424232617 953430754 /nfs/dbraw/zinc/43/07/54/953430754.db2.gz OQGJOGNDIUBHTE-UHFFFAOYSA-N -1 0 340.832 3.627 20 0 EHADRM C[C@@H]1CCCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)[C@@H]1C(=O)[O-] ZINC000424246814 953434271 /nfs/dbraw/zinc/43/42/71/953434271.db2.gz HJUYHLNSWSPSHE-PELKAZGASA-N -1 0 349.736 3.684 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC001593610150 953465060 /nfs/dbraw/zinc/46/50/60/953465060.db2.gz XUFKHHSOFUEHII-LRDDRELGSA-N -1 0 334.416 3.629 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1cc(Cl)cc(C(F)(F)F)c1)C(=O)[O-] ZINC001593613321 953473804 /nfs/dbraw/zinc/47/38/04/953473804.db2.gz HDZSEIBYZIJUDO-CPCISQLKSA-N -1 0 337.725 3.588 20 0 EHADRM CC(C)C[C@H](NC(=O)Cc1csc2ccc(Cl)cc12)C(=O)[O-] ZINC000431461428 953501955 /nfs/dbraw/zinc/50/19/55/953501955.db2.gz AJJDQKOTEYUDMY-ZDUSSCGKSA-N -1 0 339.844 3.713 20 0 EHADRM C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)c1cc2ccccc2s1 ZINC000515379499 953537941 /nfs/dbraw/zinc/53/79/41/953537941.db2.gz CMMQBLWSOAYRTI-DYEKYZERSA-N -1 0 346.452 3.715 20 0 EHADRM C[C@@H](NC(=O)N[C@H]1CCC(C)(C)C[C@H]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589284992 953554503 /nfs/dbraw/zinc/55/45/03/953554503.db2.gz QQNIEHMXCBBFBF-QMIVOQANSA-N -1 0 338.492 3.636 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)c1ccc(-c2cccs2)o1 ZINC001594772172 953572062 /nfs/dbraw/zinc/57/20/62/953572062.db2.gz XBNNLXMRMPXWOR-UHFFFAOYSA-N -1 0 327.361 3.636 20 0 EHADRM CC(C)(C)c1ccc(OCCCC(=O)NCC2(C(=O)[O-])CCC2)cc1 ZINC000539572636 953573986 /nfs/dbraw/zinc/57/39/86/953573986.db2.gz DXJZSOKGGGYANN-UHFFFAOYSA-N -1 0 347.455 3.514 20 0 EHADRM CC(C)[C@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000554604438 953584067 /nfs/dbraw/zinc/58/40/67/953584067.db2.gz XCTPATKIQIBUPH-HNNXBMFYSA-N -1 0 332.787 3.560 20 0 EHADRM CCc1cc2c(CC(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])csc2s1 ZINC001593634169 953601149 /nfs/dbraw/zinc/60/11/49/953601149.db2.gz NTAYQCCVLKCENG-NOZJJQNGSA-N -1 0 337.466 3.532 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC001589294173 953628323 /nfs/dbraw/zinc/62/83/23/953628323.db2.gz FULRZVFATMIKNF-XHDPSFHLSA-N -1 0 343.358 3.534 20 0 EHADRM CC(C)c1nc2cc(NC(=O)N3C[C@@H](C)C[C@H](C(=O)[O-])C3)ccc2o1 ZINC000571669177 953663614 /nfs/dbraw/zinc/66/36/14/953663614.db2.gz HMAOPVPAELTVAR-RYUDHWBXSA-N -1 0 345.399 3.526 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)C[C@H]1C(=O)[O-] ZINC000572523717 953669861 /nfs/dbraw/zinc/66/98/61/953669861.db2.gz KYJHSRVEDPGXEZ-PRHODGIISA-N -1 0 331.199 3.568 20 0 EHADRM Cc1nc2ccc(NC(=O)N[C@H](C(=O)[O-])c3ccccc3)cc2s1 ZINC000574475788 953678728 /nfs/dbraw/zinc/67/87/28/953678728.db2.gz GLMGKGYHNIHVHM-HNNXBMFYSA-N -1 0 341.392 3.552 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000577078436 953692467 /nfs/dbraw/zinc/69/24/67/953692467.db2.gz UMEJJBHLOJYLGH-KGLIPLIRSA-N -1 0 344.411 3.699 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1ccc(F)cc1C(F)(F)F ZINC001589303433 953711702 /nfs/dbraw/zinc/71/17/02/953711702.db2.gz HFPRDQYAKKMLMH-IUCAKERBSA-N -1 0 348.296 3.562 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1cccc2c1OC(C)(C)CC2 ZINC001589303595 953714277 /nfs/dbraw/zinc/71/42/77/953714277.db2.gz INVNKNZUINAXGX-GXTWGEPZSA-N -1 0 346.427 3.507 20 0 EHADRM CCc1oc2ccccc2c1C(=O)N1CCC[C@@](CC)(C(=O)[O-])C1 ZINC001593658244 953771802 /nfs/dbraw/zinc/77/18/02/953771802.db2.gz PEZSMLWWTMHNPU-LJQANCHMSA-N -1 0 329.396 3.712 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2Cc3ccccc3-c3ccccc32)cn1 ZINC000612665307 953786234 /nfs/dbraw/zinc/78/62/34/953786234.db2.gz KWLGUHFJPGXENV-UHFFFAOYSA-N -1 0 330.343 3.607 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cn1 ZINC001594806947 953790603 /nfs/dbraw/zinc/79/06/03/953790603.db2.gz ZAFSEUUMNQKESI-UONOGXRCSA-N -1 0 346.770 3.577 20 0 EHADRM CC[C@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)c1cccc(Cl)c1 ZINC000626745863 953798428 /nfs/dbraw/zinc/79/84/28/953798428.db2.gz GQNALKBFKSNHDC-UGFHNGPFSA-N -1 0 338.835 3.543 20 0 EHADRM C[C@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)c1cc2ccccc2s1 ZINC000626761405 953814004 /nfs/dbraw/zinc/81/40/04/953814004.db2.gz WEKUYQTUKUCASX-DYEKYZERSA-N -1 0 346.452 3.715 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N[C@H]1CCCOc2ccc(F)cc21 ZINC001594810898 953818711 /nfs/dbraw/zinc/81/87/11/953818711.db2.gz NOJJDAIPQODHDR-HNNXBMFYSA-N -1 0 344.342 3.559 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@H](C2CCC2)C2CCCCC2)ccn1 ZINC001594814322 953843953 /nfs/dbraw/zinc/84/39/53/953843953.db2.gz DOGJHRURRHDGHZ-INIZCTEOSA-N -1 0 331.416 3.650 20 0 EHADRM CN(C(=O)c1cccc(C(=O)[O-])c1)[C@@H](CCc1ccccc1)C(F)F ZINC000630304384 953851962 /nfs/dbraw/zinc/85/19/62/953851962.db2.gz IAODGTSTHKJDKW-INIZCTEOSA-N -1 0 347.361 3.723 20 0 EHADRM C[C@H](CN(C)C(=O)Nc1cc(C(C)(C)C)cc2cccnc21)C(=O)[O-] ZINC000630570253 953867107 /nfs/dbraw/zinc/86/71/07/953867107.db2.gz ZJPNODOEUVHGSR-GFCCVEGCSA-N -1 0 343.427 3.717 20 0 EHADRM CCN(Cc1ccc2ccccc2c1)C(=O)c1ccc(C(=O)[O-])cn1 ZINC000642216340 953898386 /nfs/dbraw/zinc/89/83/86/953898386.db2.gz HZDLBAFOPOUBDK-UHFFFAOYSA-N -1 0 334.375 3.595 20 0 EHADRM C[C@H](C(=O)N1CCC[C@@H](C)[C@@H]1C(=O)[O-])c1ccccc1C(F)(F)F ZINC000643865966 953912228 /nfs/dbraw/zinc/91/22/28/953912228.db2.gz LIHINWNMLVDCIB-UHIISALHSA-N -1 0 343.345 3.521 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)N1CCC(C)(C(=O)[O-])CC1)CC2 ZINC000646155739 953936316 /nfs/dbraw/zinc/93/63/16/953936316.db2.gz FNCFGGLERPEDGR-QGZVFWFLSA-N -1 0 344.455 3.694 20 0 EHADRM C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000646155144 953936846 /nfs/dbraw/zinc/93/68/46/953936846.db2.gz HFKPDMAMELPPTQ-WMLDXEAASA-N -1 0 344.455 3.596 20 0 EHADRM CN(C(=O)[C@@H](C(=O)[O-])C(C)(C)C)c1nc2cccc(Cl)c2s1 ZINC001593676925 953939328 /nfs/dbraw/zinc/93/93/28/953939328.db2.gz YTJCFPDXWRBAAG-JTQLQIEISA-N -1 0 340.832 3.659 20 0 EHADRM Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N(C)C(=O)[C@@H](C)C(=O)[O-] ZINC000647143647 953952647 /nfs/dbraw/zinc/95/26/47/953952647.db2.gz QBOKQJQYNYKYNE-YPMHNXCESA-N -1 0 346.452 3.667 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)N2CCC(C)(C(=O)[O-])CC2)c1 ZINC000647763235 953978952 /nfs/dbraw/zinc/97/89/52/953978952.db2.gz SRPIHLAULXPFKE-HNNXBMFYSA-N -1 0 331.456 3.702 20 0 EHADRM O=C([O-])[C@H](C(=O)NCC1(c2ccccc2)CCCCCC1)C1CC1 ZINC001594833760 954007581 /nfs/dbraw/zinc/00/75/81/954007581.db2.gz MSRMUKWUNKXMJW-KRWDZBQOSA-N -1 0 329.440 3.506 20 0 EHADRM O=C([O-])[C@H](C(=O)NC[C@@H]1CCC[C@H]1c1ccccc1)C1CCCC1 ZINC001594834036 954013494 /nfs/dbraw/zinc/01/34/94/954013494.db2.gz VDTNOXQZMNDWSL-BZSNNMDCSA-N -1 0 329.440 3.578 20 0 EHADRM O=C([O-])[C@H](C(=O)O[C@@H]1CCc2c1cc(Cl)cc2Cl)C1CC1 ZINC001594837914 954044930 /nfs/dbraw/zinc/04/49/30/954044930.db2.gz KAFNCQBKIBXTCS-CHWSQXEVSA-N -1 0 329.179 3.635 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001602974321 971982891 /nfs/dbraw/zinc/98/28/91/971982891.db2.gz FVPXVUWNJTZBOV-LJQANCHMSA-N -1 0 326.396 3.623 20 0 EHADRM CC(C)[C@H](CNC(=O)CCCOc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001602977549 971988684 /nfs/dbraw/zinc/98/86/84/971988684.db2.gz DBVBYVCDIGVQDW-KRWDZBQOSA-N -1 0 349.471 3.616 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653328740 954156955 /nfs/dbraw/zinc/15/69/55/954156955.db2.gz MGVLFAPWFBPJKC-ZIAGYGMSSA-N -1 0 344.436 3.618 20 0 EHADRM O=C([O-])C1(C(=O)N2CCS[C@H](c3ccccc3)C2)CCCCCC1 ZINC001594848746 954162464 /nfs/dbraw/zinc/16/24/64/954162464.db2.gz AAPDWAXCCRNJBO-INIZCTEOSA-N -1 0 347.480 3.728 20 0 EHADRM O=C(CCSc1ccccc1)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653333089 954164192 /nfs/dbraw/zinc/16/41/92/954164192.db2.gz KVUISNRFOZXLDH-SJORKVTESA-N -1 0 341.432 3.598 20 0 EHADRM CCCn1ccc2cc(NC(=O)NC[C@@H](C(=O)[O-])C(C)C)ccc21 ZINC000653537657 954185787 /nfs/dbraw/zinc/18/57/87/954185787.db2.gz BFNSOCRCVXFWCF-OAHLLOKOSA-N -1 0 331.416 3.530 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000653545075 954192790 /nfs/dbraw/zinc/19/27/90/954192790.db2.gz UYZZKHDDGFYCSW-VIFPVBQESA-N -1 0 349.736 3.686 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000655549745 954199631 /nfs/dbraw/zinc/19/96/31/954199631.db2.gz DBBVPPUVGQEPMG-CYBMUJFWSA-N -1 0 346.452 3.647 20 0 EHADRM CC[C@@H](C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccc(F)cc1 ZINC000655575864 954213174 /nfs/dbraw/zinc/21/31/74/954213174.db2.gz LKIWLVXYYSXEMX-BJKJVOPESA-N -1 0 335.419 3.571 20 0 EHADRM Cc1ccc(CCCC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)s1 ZINC000655579378 954219272 /nfs/dbraw/zinc/21/92/72/954219272.db2.gz OGXWKWMEVWVCPN-VHDGCEQUSA-N -1 0 337.485 3.631 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc(-c2ccc(F)cc2)s1)C1CCC1 ZINC000655595164 954233256 /nfs/dbraw/zinc/23/32/56/954233256.db2.gz KXHQZWVZZVGMJW-UHFFFAOYSA-N -1 0 333.384 3.634 20 0 EHADRM O=C([O-])C1(C(=O)NCC2(c3ccc(F)cc3)CCCCC2)CC=CC1 ZINC001594856134 954235877 /nfs/dbraw/zinc/23/58/77/954235877.db2.gz JDNBHFHEXFLONO-UHFFFAOYSA-N -1 0 345.414 3.565 20 0 EHADRM C[C@H](NC(=O)N(C1CC1)C1CCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655901251 954282295 /nfs/dbraw/zinc/28/22/95/954282295.db2.gz HKLPKFOQNXEZJP-VBNZEHGJSA-N -1 0 336.476 3.629 20 0 EHADRM O=C([O-])[C@]1(C(=O)NCc2cc(Cl)cc(Cl)c2F)CC=CCC1 ZINC001594862657 954286557 /nfs/dbraw/zinc/28/65/57/954286557.db2.gz DDWGRYZDLAZYHD-OAHLLOKOSA-N -1 0 346.185 3.560 20 0 EHADRM C[C@@H](NC(=O)N(C)C1CCC(C)(C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655904579 954286613 /nfs/dbraw/zinc/28/66/13/954286613.db2.gz LGPPYYQTPGHGQH-VHDGCEQUSA-N -1 0 338.492 3.732 20 0 EHADRM CC(C)COc1ccc(NC(=O)C2(C(=O)[O-])CC=CC2)cc1Cl ZINC000656850976 954307618 /nfs/dbraw/zinc/30/76/18/954307618.db2.gz ZIHMSZCVPNNKFZ-UHFFFAOYSA-N -1 0 337.803 3.734 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cccc(F)c2C(C)(F)F)CC[C@H]1C(=O)[O-] ZINC001589386518 954308700 /nfs/dbraw/zinc/30/87/00/954308700.db2.gz HTUSMUGCILEOGZ-NXEZZACHSA-N -1 0 344.333 3.512 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC=CCC1 ZINC001594872319 954365972 /nfs/dbraw/zinc/36/59/72/954365972.db2.gz RDIHRPQQCLHGOX-QGZVFWFLSA-N -1 0 346.383 3.699 20 0 EHADRM CCN(C(=O)C[C@@H](C)c1ccccc1C(F)(F)F)[C@H](C)C(=O)[O-] ZINC000659769683 954367750 /nfs/dbraw/zinc/36/77/50/954367750.db2.gz AEQLFMZHRXMLEF-GHMZBOCLSA-N -1 0 331.334 3.521 20 0 EHADRM Cc1ccc(-c2nnc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)s2)c(C)c1 ZINC000663086901 954466951 /nfs/dbraw/zinc/46/69/51/954466951.db2.gz QJZZREKHBZFPDV-GFCCVEGCSA-N -1 0 347.440 3.507 20 0 EHADRM C[C@@H]1Cc2c(C(=O)[O-])c(NC(=O)CCc3ccco3)sc2[C@H](C)O1 ZINC001589411572 954519170 /nfs/dbraw/zinc/51/91/70/954519170.db2.gz QPDXPNSPUOKNOC-ZJUUUORDSA-N -1 0 349.408 3.633 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000663147107 954532802 /nfs/dbraw/zinc/53/28/02/954532802.db2.gz IYIRNFUJVJXLOX-JTQLQIEISA-N -1 0 339.697 3.534 20 0 EHADRM C[C@@H]1Cc2cccc(F)c2N(CCOc2ccccc2C(=O)[O-])C1 ZINC001589413123 954534419 /nfs/dbraw/zinc/53/44/19/954534419.db2.gz PRYOHWZWCQXKKO-CYBMUJFWSA-N -1 0 329.371 3.602 20 0 EHADRM C[C@H]1CCC[C@@H]1CNC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666545107 954555904 /nfs/dbraw/zinc/55/59/04/954555904.db2.gz NLCWOAOBTLXINX-GOEBONIOSA-N -1 0 344.455 3.710 20 0 EHADRM O=C([O-])[C@@H]1CCCN1C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000679553502 954595703 /nfs/dbraw/zinc/59/57/03/954595703.db2.gz SZXJAVHAFYTPJI-INIZCTEOSA-N -1 0 344.342 3.699 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](Nc2ncccc2Br)c2ccccc21 ZINC001594903162 954652028 /nfs/dbraw/zinc/65/20/28/954652028.db2.gz SAHHHMDCYWSHJE-YPMHNXCESA-N -1 0 333.185 3.569 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)C(=O)CCn1c2ccccc2c2ccccc21 ZINC001589434132 954680455 /nfs/dbraw/zinc/68/04/55/954680455.db2.gz WMMWBBOJJIVEEQ-MRXNPFEDSA-N -1 0 338.407 3.506 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)C(=O)c1cccc(OCc2cccc(C)c2)c1 ZINC001589438447 954700455 /nfs/dbraw/zinc/70/04/55/954700455.db2.gz KJWUTOVCRJCTBK-GOSISDBHSA-N -1 0 341.407 3.509 20 0 EHADRM O=C([O-])c1ccccc1CCNC(=O)Nc1cccc2ccsc21 ZINC000386236402 972039125 /nfs/dbraw/zinc/03/91/25/972039125.db2.gz NPKRPRYLFLRZME-UHFFFAOYSA-N -1 0 340.404 3.964 20 0 EHADRM CC[C@@H](C)c1cccc(NC(=O)N(CCC(=O)[O-])C2CCOCC2)c1 ZINC001589463453 954873439 /nfs/dbraw/zinc/87/34/39/954873439.db2.gz BNXRBZXLEYKAHN-CQSZACIVSA-N -1 0 348.443 3.688 20 0 EHADRM COC(=O)[C@@H](Cc1ccc(C)cc1)SCc1cccc(C(=O)[O-])c1 ZINC001593812145 954955553 /nfs/dbraw/zinc/95/55/53/954955553.db2.gz ZBLRKDBLIJGZJY-QGZVFWFLSA-N -1 0 344.432 3.711 20 0 EHADRM O=C([O-])[C@H]1CN(Cc2c(Cl)ccnc2Cl)Cc2ccccc21 ZINC001594951860 954961275 /nfs/dbraw/zinc/96/12/75/954961275.db2.gz QCWVHWOGHCLASL-LBPRGKRZSA-N -1 0 337.206 3.572 20 0 EHADRM CCC(CC)(CNC(=O)[C@H](C)Oc1ccc2ccccc2c1)C(=O)[O-] ZINC001589498147 955026883 /nfs/dbraw/zinc/02/68/83/955026883.db2.gz OWIWTFPKQMGINE-AWEZNQCLSA-N -1 0 343.423 3.614 20 0 EHADRM CCC(CC)(CNC(=O)c1ccccc1NCc1ccco1)C(=O)[O-] ZINC001589500347 955029529 /nfs/dbraw/zinc/02/95/29/955029529.db2.gz KVBWOWFRHMMJLZ-UHFFFAOYSA-N -1 0 344.411 3.513 20 0 EHADRM CC[C@@H](CNC(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC001589524816 955101169 /nfs/dbraw/zinc/10/11/69/955101169.db2.gz VHONURQGUUNRAR-RWIWAZIYSA-N -1 0 349.736 3.599 20 0 EHADRM C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)CCCC(=O)[O-] ZINC000753968616 955263373 /nfs/dbraw/zinc/26/33/73/955263373.db2.gz WOTMHOLWLUJZDJ-QWRGUYRKSA-N -1 0 331.334 3.569 20 0 EHADRM CC(C)COC[C@@H](NC(=O)Nc1cccc(C(=O)[O-])c1)c1ccco1 ZINC001603030748 972091877 /nfs/dbraw/zinc/09/18/77/972091877.db2.gz NSZYEFNBSSZVLZ-OAHLLOKOSA-N -1 0 346.383 3.513 20 0 EHADRM CC(C)Cc1nc(C(=O)N2CCCc3cc(C(=O)[O-])ccc32)cs1 ZINC001603053852 972115946 /nfs/dbraw/zinc/11/59/46/972115946.db2.gz AHIZYQNABRETFS-UHFFFAOYSA-N -1 0 344.436 3.633 20 0 EHADRM O=C([O-])CCCC(=O)Nc1nc2ccccc2n1C1CCCCC1 ZINC000844249426 955665615 /nfs/dbraw/zinc/66/56/15/955665615.db2.gz PXFUSYGIAFAONX-UHFFFAOYSA-N -1 0 329.400 3.735 20 0 EHADRM C[C@@H](Cc1ccccc1)n1cccc1C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001589080580 955848474 /nfs/dbraw/zinc/84/84/74/955848474.db2.gz GZXLTFHEGMHIIO-AWEZNQCLSA-N -1 0 349.390 3.637 20 0 EHADRM COc1ccc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc1OC1CCCC1 ZINC000852947136 955864407 /nfs/dbraw/zinc/86/44/07/955864407.db2.gz JDFNEYZBAQHHOU-MRXNPFEDSA-N -1 0 349.427 3.702 20 0 EHADRM COc1ccc([C@H](NC(=O)/C=C\c2ccc(C(=O)[O-])o2)C(C)C)cc1 ZINC000864101159 955931053 /nfs/dbraw/zinc/93/10/53/955931053.db2.gz LWDJKUKTFSMMGE-LECLMCCNSA-N -1 0 343.379 3.513 20 0 EHADRM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)/C=C\c2ccc(C(=O)[O-])o2)C1 ZINC000864137913 955960634 /nfs/dbraw/zinc/96/06/34/955960634.db2.gz OLMHOISVQARIJQ-VMUQFPEJSA-N -1 0 343.354 3.740 20 0 EHADRM CO[C@@H](C(=O)[O-])C(=O)N[C@H](c1ccc(C2CCCCC2)cc1)C(C)C ZINC001593916495 956025246 /nfs/dbraw/zinc/02/52/46/956025246.db2.gz HFRZTSYRXDMIRD-ZWKOTPCHSA-N -1 0 347.455 3.647 20 0 EHADRM CC(C)Oc1cc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)ccn1 ZINC001603080578 972152881 /nfs/dbraw/zinc/15/28/81/972152881.db2.gz WKPOLDUAXCNZKY-UHFFFAOYSA-N -1 0 343.383 3.530 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(C)(F)F)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589117752 956105835 /nfs/dbraw/zinc/10/58/35/956105835.db2.gz RNSFLPWNFWQAPD-LEWSCRJBSA-N -1 0 339.382 3.664 20 0 EHADRM C[C@@H]1CCN(C(=O)NCc2ccccc2C(=O)[O-])[C@H](c2ccco2)C1 ZINC000874410360 956185412 /nfs/dbraw/zinc/18/54/12/956185412.db2.gz RJZDLSBLNRNBDY-CJNGLKHVSA-N -1 0 342.395 3.661 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1c1nc(-c2cccnc2)nc2ccccc21 ZINC000886916228 956248755 /nfs/dbraw/zinc/24/87/55/956248755.db2.gz QSESBYFCVLZLMD-OAHLLOKOSA-N -1 0 348.406 3.525 20 0 EHADRM CCc1ccc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1OC ZINC000899313406 956284635 /nfs/dbraw/zinc/28/46/35/956284635.db2.gz KCYNUCDYECDLNV-OAHLLOKOSA-N -1 0 334.416 3.509 20 0 EHADRM CC(C)c1cccc2c1CCN(C(=O)[C@]1(C(=O)[O-])CC=CCC1)C2 ZINC001603105766 972178620 /nfs/dbraw/zinc/17/86/20/972178620.db2.gz LDRNFZYLLYKYDK-FQEVSTJZSA-N -1 0 327.424 3.506 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001589161756 956419242 /nfs/dbraw/zinc/41/92/42/956419242.db2.gz BXCVDTVLYSJJHF-DZGCQCFKSA-N -1 0 327.465 3.510 20 0 EHADRM CC(C)Oc1cccc([C@H](C)NC(=O)c2coc(/C=C/C(=O)[O-])c2)c1 ZINC000901834488 956495980 /nfs/dbraw/zinc/49/59/80/956495980.db2.gz XJSRHEAXWGECPJ-GWJCSSMESA-N -1 0 343.379 3.656 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cccc(C(F)F)c2F)CCCCC1 ZINC000902045818 956629716 /nfs/dbraw/zinc/62/97/16/956629716.db2.gz WIHDNHJFUFJDPV-UHFFFAOYSA-N -1 0 329.318 3.671 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)Nc1cc(CC2CCCCC2)[nH]n1 ZINC001589206146 956666631 /nfs/dbraw/zinc/66/66/31/956666631.db2.gz VEEQDNUYZGMEBR-UHFFFAOYSA-N -1 0 347.459 3.608 20 0 EHADRM CC1(C)C(c2cc(NC(=O)C3(C(=O)[O-])CCCCC3)n[nH]2)C1(C)C ZINC001589209855 956678377 /nfs/dbraw/zinc/67/83/77/956678377.db2.gz KKHYGPAVEBYLJL-UHFFFAOYSA-N -1 0 333.432 3.533 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)C[C@H]2Cc3ccccc3O2)c1Cl ZINC001594679035 956687807 /nfs/dbraw/zinc/68/78/07/956687807.db2.gz UHALBDQXGSQNMY-SNVBAGLBSA-N -1 0 349.745 3.510 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)C[C@@H]2Cc3ccccc3O2)c1Cl ZINC001594679034 956687865 /nfs/dbraw/zinc/68/78/65/956687865.db2.gz UHALBDQXGSQNMY-JTQLQIEISA-N -1 0 349.745 3.510 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1ccc(SC(F)(F)F)cc1 ZINC001589217112 956731273 /nfs/dbraw/zinc/73/12/73/956731273.db2.gz DLNDLNPWYLBZNH-ZDUSSCGKSA-N -1 0 333.331 3.738 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)c2ccccc21 ZINC001589225188 956786967 /nfs/dbraw/zinc/78/69/67/956786967.db2.gz UJHDVOLSNABCMU-OXQOHEQNSA-N -1 0 327.424 3.726 20 0 EHADRM CC1(C)CCC[C@@H]1[C@H]1CCN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)C1 ZINC001589226142 956796360 /nfs/dbraw/zinc/79/63/60/956796360.db2.gz ZWRBFRXHYKAWDE-MTENODCZSA-N -1 0 331.412 3.666 20 0 EHADRM CC1(C)CCc2c(sc(NC(=O)Cc3ccco3)c2C(=O)[O-])C1 ZINC001589226539 956803119 /nfs/dbraw/zinc/80/31/19/956803119.db2.gz ACGNSENIWOGTJO-UHFFFAOYSA-N -1 0 333.409 3.735 20 0 EHADRM O=C([O-])CC[C@H]1Cc2ccccc2N(C(=O)CCc2ccccc2)C1 ZINC000902831071 956820195 /nfs/dbraw/zinc/82/01/95/956820195.db2.gz VLTHMEWQZDTTGM-KRWDZBQOSA-N -1 0 337.419 3.690 20 0 EHADRM C[C@]1(CC(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)CC1(Cl)Cl ZINC001589239405 956862347 /nfs/dbraw/zinc/86/23/47/956862347.db2.gz IDWPRJJVKQEFSL-ABAIWWIYSA-N -1 0 342.222 3.566 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)Nc1ccc(-c2ccccc2)cn1 ZINC001594710045 956875305 /nfs/dbraw/zinc/87/53/05/956875305.db2.gz JRUVKDLLWRJXDV-UHFFFAOYSA-N -1 0 332.359 3.628 20 0 EHADRM O=C([O-])c1ccc(OCCOc2cccc(Br)c2)cc1 ZINC000011960058 956902066 /nfs/dbraw/zinc/90/20/66/956902066.db2.gz NDQQTJRULUAYRJ-UHFFFAOYSA-N -1 0 337.169 3.605 20 0 EHADRM O=C([O-])c1ccc(OCc2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000013054451 956919611 /nfs/dbraw/zinc/91/96/11/956919611.db2.gz BUMBLZOPURXHSY-UHFFFAOYSA-N -1 0 341.241 3.891 20 0 EHADRM CC(C)c1ccc(OS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000013088694 956941134 /nfs/dbraw/zinc/94/11/34/956941134.db2.gz WCLRZXGZFMQDNY-LFYBBSHMSA-N -1 0 346.404 3.676 20 0 EHADRM C[C@@]1(Cc2cccs2)CCCN1C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001589247316 956942811 /nfs/dbraw/zinc/94/28/11/956942811.db2.gz LORSGUCBZDLYKE-POZKEBTKSA-N -1 0 345.420 3.676 20 0 EHADRM CCOc1ccc(CC(=O)Nc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000013167868 956948029 /nfs/dbraw/zinc/94/80/29/956948029.db2.gz WJAUEESZFVVPTJ-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM COc1ccc2c(CC(=O)Nc3cc(C(=O)[O-])ccc3C)coc2c1 ZINC000013169941 956953098 /nfs/dbraw/zinc/95/30/98/956953098.db2.gz CQJKLMBNKIBLQF-UHFFFAOYSA-N -1 0 339.347 3.629 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)CCOc1ccccc1 ZINC000013171560 956954491 /nfs/dbraw/zinc/95/44/91/956954491.db2.gz NTFSERHQPANTBF-UHFFFAOYSA-N -1 0 335.359 3.946 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000013176504 956956072 /nfs/dbraw/zinc/95/60/72/956956072.db2.gz OSFOOEJKYHVQJZ-CQSZACIVSA-N -1 0 339.725 3.564 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCc1ccccc1Cl)c1ccc(F)cc1 ZINC000013177228 956958227 /nfs/dbraw/zinc/95/82/27/956958227.db2.gz UUEIXQKABRRRDU-INIZCTEOSA-N -1 0 349.789 3.744 20 0 EHADRM C[C@H](Sc1ncccc1C(=O)[O-])C(=O)Nc1cccc(Cl)c1 ZINC000013188616 956973643 /nfs/dbraw/zinc/97/36/43/956973643.db2.gz UXGOHCHTIDXZIZ-VIFPVBQESA-N -1 0 336.800 3.553 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)Cc1c[nH]c2ccccc12 ZINC000013260167 956998473 /nfs/dbraw/zinc/99/84/73/956998473.db2.gz YYGWGXNVYDPDQM-UHFFFAOYSA-N -1 0 328.755 3.701 20 0 EHADRM Cc1ccc(C(C)C)cc1OS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000013307382 957013684 /nfs/dbraw/zinc/01/36/84/957013684.db2.gz GUSJRKHWNAYWLR-UHFFFAOYSA-N -1 0 340.422 3.646 20 0 EHADRM O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)c1ccoc1Cl ZINC000389625076 972235771 /nfs/dbraw/zinc/23/57/71/972235771.db2.gz CTOHPWNDNRVCTK-UHFFFAOYSA-N -1 0 333.649 3.902 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000013391566 957048077 /nfs/dbraw/zinc/04/80/77/957048077.db2.gz LNKKEKLZHOEEQT-ZDUSSCGKSA-N -1 0 345.782 3.536 20 0 EHADRM O=C([O-])c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000013412257 957053905 /nfs/dbraw/zinc/05/39/05/957053905.db2.gz SOWWDKLLVZJPPK-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)COc1cccc(C(=O)[O-])c1 ZINC000013418753 957057683 /nfs/dbraw/zinc/05/76/83/957057683.db2.gz AMZNEWUHJRVEEX-UHFFFAOYSA-N -1 0 327.380 3.834 20 0 EHADRM Cc1ccc(C)c(SCC(=O)N(C)c2ccccc2C(=O)[O-])c1 ZINC000013441497 957081399 /nfs/dbraw/zinc/08/13/99/957081399.db2.gz MMJQKWNXTIPWBJ-UHFFFAOYSA-N -1 0 329.421 3.757 20 0 EHADRM CC(C)Cc1ccc(C(=O)NCCc2ccc(C(=O)[O-])cc2)cc1 ZINC000013443149 957083089 /nfs/dbraw/zinc/08/30/89/957083089.db2.gz MYKDIQHVYQFEIV-UHFFFAOYSA-N -1 0 325.408 3.556 20 0 EHADRM Cc1cc2ccccc2n1CC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000026103216 957162045 /nfs/dbraw/zinc/16/20/45/957162045.db2.gz LATPVANEWKXPMF-UHFFFAOYSA-N -1 0 342.782 3.940 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)CSc1ccccc1Cl ZINC000036976847 957253623 /nfs/dbraw/zinc/25/36/23/957253623.db2.gz KQYUQWUAFBLLDN-UHFFFAOYSA-N -1 0 327.814 3.831 20 0 EHADRM O=C([O-])c1occc1COc1ccc(Br)cc1Cl ZINC000037333327 957271174 /nfs/dbraw/zinc/27/11/74/957271174.db2.gz UNTZBVIXEOXLPA-UHFFFAOYSA-N -1 0 331.549 3.973 20 0 EHADRM O=C([O-])c1sccc1NC(=O)Cc1ccc(Cl)cc1Cl ZINC000037452070 957297960 /nfs/dbraw/zinc/29/79/60/957297960.db2.gz NTVMDRLLNHNENF-UHFFFAOYSA-N -1 0 330.192 3.934 20 0 EHADRM CCCCSCC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000037455857 957300072 /nfs/dbraw/zinc/30/00/72/957300072.db2.gz OTTQJLBCRKTDJP-UHFFFAOYSA-N -1 0 327.471 3.797 20 0 EHADRM Cc1ccc(NC(=O)NCCc2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000389960551 972257400 /nfs/dbraw/zinc/25/74/00/972257400.db2.gz BGTZONMGGGZYAZ-UHFFFAOYSA-N -1 0 332.787 3.711 20 0 EHADRM O=C([O-])c1ccc(Oc2ccc3cc(Br)ccc3c2)nn1 ZINC000037526720 957306403 /nfs/dbraw/zinc/30/64/03/957306403.db2.gz ZLKJINHBUDGJNU-UHFFFAOYSA-N -1 0 345.152 3.883 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)CCc1ccc(Cl)cc1Cl ZINC000037590537 957311507 /nfs/dbraw/zinc/31/15/07/957311507.db2.gz CLJLWCVQPVALON-JTQLQIEISA-N -1 0 332.227 3.638 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NC[C@H]2CCCC2(F)F)cc1 ZINC000389980925 972259006 /nfs/dbraw/zinc/25/90/06/972259006.db2.gz KMKQAKAQWDGBBN-GFCCVEGCSA-N -1 0 340.370 3.606 20 0 EHADRM Cc1occc1C(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC000054231903 957524783 /nfs/dbraw/zinc/52/47/83/957524783.db2.gz NQSCZCZULLMJDL-UHFFFAOYSA-N -1 0 342.376 3.591 20 0 EHADRM Cc1sc2nc(CSc3ccc(C(=O)[O-])cc3)nc(N)c2c1C ZINC000390268354 972272689 /nfs/dbraw/zinc/27/26/89/972272689.db2.gz AFSHAIZSXJYILM-UHFFFAOYSA-N -1 0 345.449 3.881 20 0 EHADRM Cc1ccccc1C(=O)Oc1ccc(C(=O)[O-])cc1Br ZINC000066144879 957643929 /nfs/dbraw/zinc/64/39/29/957643929.db2.gz AENWNGXBGVAAOM-UHFFFAOYSA-N -1 0 335.153 3.675 20 0 EHADRM CC(C)c1oc(-c2ccccc2)nc1C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC001329942124 957714625 /nfs/dbraw/zinc/71/46/25/957714625.db2.gz WUZLXRAJEZHSNB-CQSZACIVSA-N -1 0 344.411 3.552 20 0 EHADRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC1CCCCC1 ZINC000075284674 957742008 /nfs/dbraw/zinc/74/20/08/957742008.db2.gz CILPYCWWRHSEGA-SFHVURJKSA-N -1 0 342.439 3.640 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCc3cccc(F)c3[C@H]2C)c1 ZINC001594283968 957763713 /nfs/dbraw/zinc/76/37/13/957763713.db2.gz KFHLUTTWXPAOMC-GFCCVEGCSA-N -1 0 327.355 3.592 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2cc(F)c(F)c(F)c2F)c1 ZINC001594288251 957795569 /nfs/dbraw/zinc/79/55/69/957795569.db2.gz GJJJFMBMRFTOSA-UHFFFAOYSA-N -1 0 327.233 3.502 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)O[C@@H](c2ccccn2)C(F)(F)F)c1 ZINC001594289393 957813496 /nfs/dbraw/zinc/81/34/96/957813496.db2.gz RWLUPJJBHYRQKI-ZDUSSCGKSA-N -1 0 339.269 3.549 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2nc(Cc3ccccc3)cs2)cc1 ZINC001574796966 957825959 /nfs/dbraw/zinc/82/59/59/957825959.db2.gz VENAFWRFFKARCW-UHFFFAOYSA-N -1 0 338.388 3.684 20 0 EHADRM Cc1cc([C@@H](NC(=O)Nc2cccnc2C(=O)[O-])C2CC2)ccc1F ZINC001594293478 957841787 /nfs/dbraw/zinc/84/17/87/957841787.db2.gz ARUYXBLNQSVEJQ-HNNXBMFYSA-N -1 0 343.358 3.500 20 0 EHADRM Cc1cc(C)c2c(c1)CCCN2C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001594294330 957858145 /nfs/dbraw/zinc/85/81/45/957858145.db2.gz GQLKUJIYTPJSNP-SOFGYWHQSA-N -1 0 325.364 3.587 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2cc(F)ccc2s1)C1CCCCC1 ZINC000390884511 972306377 /nfs/dbraw/zinc/30/63/77/972306377.db2.gz HJLZLKUFNMPLCU-OAHLLOKOSA-N -1 0 335.400 3.804 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2cc3ccccc3nc2Cl)c1 ZINC001574809624 957869795 /nfs/dbraw/zinc/86/97/95/957869795.db2.gz RCAHRQWWAIMDRH-UHFFFAOYSA-N -1 0 340.766 3.516 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CCCc2cc(Cl)cc(F)c21 ZINC001574810983 957878539 /nfs/dbraw/zinc/87/85/39/957878539.db2.gz RZBJVAYBLUXJRD-UHFFFAOYSA-N -1 0 347.773 3.699 20 0 EHADRM CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001594044124 957904372 /nfs/dbraw/zinc/90/43/72/957904372.db2.gz RIHRIIQSCQUPBV-ZIAGYGMSSA-N -1 0 334.416 3.535 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)N[C@@H]2CCCC[C@H]2F)CC1 ZINC001340584817 957940320 /nfs/dbraw/zinc/94/03/20/957940320.db2.gz HFZOHJHVQOYBLK-IAGOWNOFSA-N -1 0 348.418 3.555 20 0 EHADRM Cc1ccc([C@@H](NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)C2CC2)cc1 ZINC001341226117 957948951 /nfs/dbraw/zinc/94/89/51/957948951.db2.gz PETZGNXLUBAKBB-HNAYVOBHSA-N -1 0 344.455 3.733 20 0 EHADRM Cc1cc(Cl)cc(C(=O)Nc2cccc(CCC(=O)[O-])c2)c1N ZINC001594307363 957980530 /nfs/dbraw/zinc/98/05/30/957980530.db2.gz MMTWUPDBGUSWJD-UHFFFAOYSA-N -1 0 332.787 3.500 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC001341354082 957982647 /nfs/dbraw/zinc/98/26/47/957982647.db2.gz PSDKPRSYEWPUJQ-GLQYFDAESA-N -1 0 344.436 3.730 20 0 EHADRM CCC1(C(=O)N2CCC[C@](CC)(C(=O)[O-])C2)CCC(F)(F)CC1 ZINC001342724020 958012756 /nfs/dbraw/zinc/01/27/56/958012756.db2.gz RJXPKYYSJLJASP-INIZCTEOSA-N -1 0 331.403 3.696 20 0 EHADRM C[C@H](NC(=O)N1CCCC[C@H]1CCC(=O)[O-])[C@@H](C)c1ccccc1 ZINC001343038815 958020518 /nfs/dbraw/zinc/02/05/18/958020518.db2.gz USGCIVIAJLLHLG-VYDXJSESSA-N -1 0 332.444 3.608 20 0 EHADRM Cc1cc(NC(=O)C2CC(OCc3ccccc3)C2)ccc1C(=O)[O-] ZINC001594316277 958066866 /nfs/dbraw/zinc/06/68/66/958066866.db2.gz OULBZMFDGIUPMB-UHFFFAOYSA-N -1 0 339.391 3.627 20 0 EHADRM CC[C@H](CSC)N(C)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000391154006 972320562 /nfs/dbraw/zinc/32/05/62/972320562.db2.gz XYFUAOFMDLAYFC-CQSZACIVSA-N -1 0 338.473 3.654 20 0 EHADRM Cc1cc(NC(=O)N[C@@]2(C)CCOc3ccccc32)ccc1C(=O)[O-] ZINC001594320738 958129179 /nfs/dbraw/zinc/12/91/79/958129179.db2.gz QYJIDZWCXTUUKW-IBGZPJMESA-N -1 0 340.379 3.513 20 0 EHADRM Cc1cc(NC(=O)c2coc(/C=C\C(=O)[O-])c2)ccc1OC(C)C ZINC001594324773 958151727 /nfs/dbraw/zinc/15/17/27/958151727.db2.gz GAFWJAOQTUDHNC-ALCCZGGFSA-N -1 0 329.352 3.725 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)N[C@H]2CCSc3ccccc32)C1 ZINC001356547326 958175151 /nfs/dbraw/zinc/17/51/51/958175151.db2.gz FRXXJPRGRLBWMS-KSSFIOAISA-N -1 0 348.468 3.510 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)NCCC1CCC(F)(F)CC1 ZINC001357183791 958197576 /nfs/dbraw/zinc/19/75/76/958197576.db2.gz OAMWTZQFQOCZPX-CQSZACIVSA-N -1 0 346.418 3.631 20 0 EHADRM C[C@H](NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1csc2ccccc21 ZINC001521187771 958221149 /nfs/dbraw/zinc/22/11/49/958221149.db2.gz RTYPGYRZAQAYSZ-AGIUHOORSA-N -1 0 346.452 3.715 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001594331329 958224106 /nfs/dbraw/zinc/22/41/06/958224106.db2.gz ZIIUTFZZXHYPCO-HZRUHFOJSA-N -1 0 343.379 3.722 20 0 EHADRM Cc1cc2nc(NC(=O)/C=C\c3ccc(C(=O)[O-])o3)sc2cc1F ZINC001594331882 958234411 /nfs/dbraw/zinc/23/44/11/958234411.db2.gz DWYQNEGAUQUDSR-HYXAFXHYSA-N -1 0 346.339 3.687 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)NC1(C(=O)[O-])CCCC1 ZINC001594080002 958250120 /nfs/dbraw/zinc/25/01/20/958250120.db2.gz FTIGESYEKGULHS-UHFFFAOYSA-N -1 0 334.416 3.512 20 0 EHADRM Cc1ccc(-c2cc(NC(=O)CCC(=O)[O-])n(-c3ccccc3)n2)cc1 ZINC001594333858 958250786 /nfs/dbraw/zinc/25/07/86/958250786.db2.gz HQFPOLPZZLYEKB-UHFFFAOYSA-N -1 0 349.390 3.651 20 0 EHADRM Cc1ccc(-c2cnc(CN[C@H](C(=O)[O-])c3ccc(F)cc3)o2)cc1 ZINC001594336063 958266837 /nfs/dbraw/zinc/26/68/37/958266837.db2.gz XLTDTKHBIKQRGZ-SFHVURJKSA-N -1 0 340.354 3.705 20 0 EHADRM Cc1ccc(-c2csc(NC(=O)[C@@H](C(=O)[O-])C(C)C)n2)c(C)c1 ZINC001594336019 958267543 /nfs/dbraw/zinc/26/75/43/958267543.db2.gz TXTGXGRBXFFXFC-AWEZNQCLSA-N -1 0 332.425 3.722 20 0 EHADRM Cc1ccc(-c2ncccc2NC(=O)NC[C@H](C(=O)[O-])C(C)C)s1 ZINC001594337304 958274402 /nfs/dbraw/zinc/27/44/02/958274402.db2.gz HXQSBGBUBXQMFE-LBPRGKRZSA-N -1 0 347.440 3.597 20 0 EHADRM Cc1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1-n1cccc1 ZINC001594344350 958316176 /nfs/dbraw/zinc/31/61/76/958316176.db2.gz VKEBMPPCNXBECK-MRXNPFEDSA-N -1 0 340.423 3.503 20 0 EHADRM Cc1ccc(C[C@]2(C)CCCN2C(=O)NCCC(C)(C)C(=O)[O-])cc1 ZINC001594355206 958409055 /nfs/dbraw/zinc/40/90/55/958409055.db2.gz PJGLOPKKJKNGKC-FQEVSTJZSA-N -1 0 346.471 3.603 20 0 EHADRM O=C([O-])c1ccc(OC[C@@H]2CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000391578834 972347606 /nfs/dbraw/zinc/34/76/06/972347606.db2.gz BUZIIQHUEJCDBV-AWEZNQCLSA-N -1 0 327.336 3.792 20 0 EHADRM Cc1ccc(CNC(=O)Cc2ccccc2C(=O)[O-])c2ccccc12 ZINC001594361372 958452724 /nfs/dbraw/zinc/45/27/24/958452724.db2.gz NXCZYGCOQINFKC-UHFFFAOYSA-N -1 0 333.387 3.705 20 0 EHADRM COc1ccc(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])c2ccccc12 ZINC001594106864 958476032 /nfs/dbraw/zinc/47/60/32/958476032.db2.gz YQSRYZIBILIDPE-CYBMUJFWSA-N -1 0 344.411 3.717 20 0 EHADRM C/C(=C/C(=O)N[C@H](CC(C)C)C(=O)[O-])c1ccccc1C(F)(F)F ZINC001573339965 958531317 /nfs/dbraw/zinc/53/13/17/958531317.db2.gz JKKQGWJCWXSWBF-RBJHHQRMSA-N -1 0 343.345 3.724 20 0 EHADRM O=C([O-])c1ccccc1CCNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000391687156 972356778 /nfs/dbraw/zinc/35/67/78/972356778.db2.gz YIGIFRBLGZIHLU-UHFFFAOYSA-N -1 0 336.294 3.885 20 0 EHADRM C[C@@H](NC(=O)NCc1ccccc1C(=O)[O-])C(C)(C)c1ccccc1 ZINC001603232820 972358323 /nfs/dbraw/zinc/35/83/23/972358323.db2.gz ZGRYWILFLRSFAP-CQSZACIVSA-N -1 0 340.423 3.550 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001594145290 958755099 /nfs/dbraw/zinc/75/50/99/958755099.db2.gz LQNWFLIEKVSQAM-HOCLYGCPSA-N -1 0 349.471 3.660 20 0 EHADRM COc1ccccc1C/C(C)=C\C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001594145300 958755116 /nfs/dbraw/zinc/75/51/16/958755116.db2.gz MZUVVQNMFIXWLY-FIPLFPIMSA-N -1 0 347.455 3.580 20 0 EHADRM Cc1ccc(NC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1C(F)(F)F ZINC000263064021 1125468838 /nfs/dbraw/zinc/46/88/38/1125468838.db2.gz FWDQCNNHCNBSLS-ONGXEEELSA-N -1 0 344.333 3.588 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2scnc2C2CCCC2)C(=O)[O-])c1 ZINC001594398622 958809210 /nfs/dbraw/zinc/80/92/10/958809210.db2.gz CUTSRTGPIYSHIO-HNNXBMFYSA-N -1 0 344.436 3.665 20 0 EHADRM Cc1sc(N(C)Cc2csc(Br)c2)nc1C(=O)[O-] ZINC000137261467 958920635 /nfs/dbraw/zinc/92/06/35/958920635.db2.gz VKYLQBALXXRPHM-UHFFFAOYSA-N -1 0 347.259 3.610 20 0 EHADRM Cc1sc(NCc2cc(Br)cs2)nc1C(=O)[O-] ZINC000137318813 958922655 /nfs/dbraw/zinc/92/26/55/958922655.db2.gz LKRCKJRPYRBADY-UHFFFAOYSA-N -1 0 333.232 3.586 20 0 EHADRM CC(C)(C)c1ccc(CNC(=O)/C=C\c2ccc(C(=O)[O-])o2)s1 ZINC001573463013 958923632 /nfs/dbraw/zinc/92/36/32/958923632.db2.gz VICJNDXIDIXBNW-UITAMQMPSA-N -1 0 333.409 3.666 20 0 EHADRM CC(=O)c1ccc2ccccc2c1NC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC001588534758 958925216 /nfs/dbraw/zinc/92/52/16/958925216.db2.gz SSTFHKBXPVMWEN-OAHLLOKOSA-N -1 0 327.380 3.728 20 0 EHADRM Cc1cccc(C)c1OCCC(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000391904708 972388725 /nfs/dbraw/zinc/38/87/25/972388725.db2.gz ITSISUBGIGKYGI-UHFFFAOYSA-N -1 0 331.343 3.548 20 0 EHADRM CC(C)(CCNC(=O)Nc1cccc2c(Cl)nccc12)C(=O)[O-] ZINC001573474408 958952930 /nfs/dbraw/zinc/95/29/30/958952930.db2.gz WDABFSMYBUCROY-UHFFFAOYSA-N -1 0 335.791 3.511 20 0 EHADRM Cc1c(C(=O)Nc2sccc2C(=O)[O-])cnn1-c1ccccc1C ZINC001594413869 958978159 /nfs/dbraw/zinc/97/81/59/958978159.db2.gz LNCXNTUOBMLUCT-UHFFFAOYSA-N -1 0 341.392 3.501 20 0 EHADRM COc1ccccc1C(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC000146259250 958995046 /nfs/dbraw/zinc/99/50/46/958995046.db2.gz NVTQMIGZAAECJP-UHFFFAOYSA-N -1 0 327.361 3.860 20 0 EHADRM Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594415810 959001338 /nfs/dbraw/zinc/00/13/38/959001338.db2.gz ORFJVZUBDUQWGV-BZUAXINKSA-N -1 0 332.444 3.587 20 0 EHADRM O=C([O-])c1cccc(COc2ccc(F)c(Br)c2)c1 ZINC000149031098 959015284 /nfs/dbraw/zinc/01/52/84/959015284.db2.gz RUOSDLZYHQDVJF-UHFFFAOYSA-N -1 0 325.133 3.865 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC001573490130 959015611 /nfs/dbraw/zinc/01/56/11/959015611.db2.gz WRWKLMCSZFWZMJ-MRXNPFEDSA-N -1 0 337.379 3.525 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)c2ccc(-c3ccccc3)o2)c1 ZINC000149453953 959018194 /nfs/dbraw/zinc/01/81/94/959018194.db2.gz VJSNRTDAYMMXGS-UHFFFAOYSA-N -1 0 337.331 3.662 20 0 EHADRM CC(C)C[C@@H](CNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001573509430 959081419 /nfs/dbraw/zinc/08/14/19/959081419.db2.gz HWCWKPFUQGZYLM-CABCVRRESA-N -1 0 349.471 3.615 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N(C)C[C@H](C)C1CCCCC1)C(=O)[O-] ZINC001573509393 959081659 /nfs/dbraw/zinc/08/16/59/959081659.db2.gz FGWJQVJSOQSMMR-HOCLYGCPSA-N -1 0 326.481 3.591 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1(C)C ZINC001588565220 959134790 /nfs/dbraw/zinc/13/47/90/959134790.db2.gz QAFFRMZNSQFDAZ-GWCFXTLKSA-N -1 0 343.345 3.521 20 0 EHADRM CSc1c(F)cccc1NC(=O)NCc1ccccc1C(=O)[O-] ZINC001594189331 959156285 /nfs/dbraw/zinc/15/62/85/959156285.db2.gz FKGABMZYECCNMS-UHFFFAOYSA-N -1 0 334.372 3.568 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccc(C(C)(C)C)nc1)CC(=O)[O-] ZINC001573536547 959171902 /nfs/dbraw/zinc/17/19/02/959171902.db2.gz KZDJUSJGLKKJTK-ZDUSSCGKSA-N -1 0 335.448 3.638 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)Nc2cc(C(=O)[O-])ccn2)cc1 ZINC001573539321 959182375 /nfs/dbraw/zinc/18/23/75/959182375.db2.gz HBKMUQJBBPIGKQ-UHFFFAOYSA-N -1 0 326.396 3.550 20 0 EHADRM CC(C)Cc1ccccc1C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001573543410 959193015 /nfs/dbraw/zinc/19/30/15/959193015.db2.gz BUNROSHVSALZMY-OAQYLSRUSA-N -1 0 339.435 3.657 20 0 EHADRM Cc1csc(-c2ccc(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])cc2)n1 ZINC001594435566 959225790 /nfs/dbraw/zinc/22/57/90/959225790.db2.gz HVLIEIJDZZSYKO-AWEZNQCLSA-N -1 0 347.440 3.739 20 0 EHADRM Cc1csc(-c2cccc(OC(=O)[C@]3(C(=O)[O-])CC3(C)C)c2)n1 ZINC001594435732 959226494 /nfs/dbraw/zinc/22/64/94/959226494.db2.gz MHWXKQGYQZJXTB-QGZVFWFLSA-N -1 0 331.393 3.525 20 0 EHADRM CC(C)c1cc(C(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])c2ccccc2n1 ZINC001573559592 959275524 /nfs/dbraw/zinc/27/55/24/959275524.db2.gz ZLTPXGDNCQIAMJ-FZKQIMNGSA-N -1 0 340.423 3.684 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)Nc1ccc(Cl)cc1-n1cccc1)C1CC1 ZINC001588587035 959318861 /nfs/dbraw/zinc/31/88/61/959318861.db2.gz PJZXXAIVWMXVOZ-NSHDSACASA-N -1 0 347.802 3.600 20 0 EHADRM Cc1nc(NC(=O)C2(CC(=O)[O-])CCC2)sc1Cc1ccccc1 ZINC001594456651 959421313 /nfs/dbraw/zinc/42/13/13/959421313.db2.gz MXIXUEVGEDBPGC-UHFFFAOYSA-N -1 0 344.436 3.626 20 0 EHADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCCc1ccc(C2CCCCC2)cc1 ZINC001594226467 959430568 /nfs/dbraw/zinc/43/05/68/959430568.db2.gz OBORXLCXIMDBPA-VLIAUNLRSA-N -1 0 329.440 3.504 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000179234126 959435067 /nfs/dbraw/zinc/43/50/67/959435067.db2.gz OVGHTLKYYHUXEO-AWEZNQCLSA-N -1 0 325.355 3.534 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000179234122 959435127 /nfs/dbraw/zinc/43/51/27/959435127.db2.gz OVGHTLKYYHUXEO-CQSZACIVSA-N -1 0 325.355 3.534 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000180772384 959438564 /nfs/dbraw/zinc/43/85/64/959438564.db2.gz HXKGNXAKRQDVOG-FPYGCLRLSA-N -1 0 331.711 3.843 20 0 EHADRM COc1ccc([C@H]2CCCCCN2C(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000183755182 959447177 /nfs/dbraw/zinc/44/71/77/959447177.db2.gz WUCYBJMAGNHHGY-MRXNPFEDSA-N -1 0 343.379 3.744 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cc(C(=O)[O-])co1 ZINC000183809420 959451226 /nfs/dbraw/zinc/45/12/26/959451226.db2.gz CWTFADCVUAAPHT-QMMMGPOBSA-N -1 0 342.178 3.646 20 0 EHADRM Cc1oncc1[N-]S(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000153321107 1125470934 /nfs/dbraw/zinc/47/09/34/1125470934.db2.gz KDOSXOKUKDWART-UHFFFAOYSA-N -1 0 328.802 3.652 20 0 EHADRM C[C@H](CC1CCCCC1)NC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001594233347 959491191 /nfs/dbraw/zinc/49/11/91/959491191.db2.gz MFUHHGNRRBILKD-RDTXWAMCSA-N -1 0 344.455 3.739 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)c1csc(-c2ccco2)n1 ZINC000392259517 972435376 /nfs/dbraw/zinc/43/53/76/972435376.db2.gz PRQGHNRNMQWISW-LBPRGKRZSA-N -1 0 348.424 3.557 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)c3ccc(C(=O)[O-])cn3)cc2s1 ZINC000190624181 959513863 /nfs/dbraw/zinc/51/38/63/959513863.db2.gz ACLDQXOAGPAZOV-UHFFFAOYSA-N -1 0 341.392 3.765 20 0 EHADRM CCOc1cccc2cc([C@H](C)NC(=O)CC(C)(C)CC(=O)[O-])oc21 ZINC000190611953 959514924 /nfs/dbraw/zinc/51/49/24/959514924.db2.gz MTTQHJNEVRKFBR-LBPRGKRZSA-N -1 0 347.411 3.900 20 0 EHADRM Cc1ccc(NC(=O)c2cnn(CC(C)C)c2C2CC2)cc1C(=O)[O-] ZINC000191036840 959536534 /nfs/dbraw/zinc/53/65/34/959536534.db2.gz ZMANZTJVNDKVTB-UHFFFAOYSA-N -1 0 341.411 3.675 20 0 EHADRM C[C@@H]1SCCN(C(=O)CC(C)(C)CC(=O)[O-])[C@@H]1c1ccccc1 ZINC000191134742 959541327 /nfs/dbraw/zinc/54/13/27/959541327.db2.gz ONURNZIBLUJYLS-GUYCJALGSA-N -1 0 335.469 3.583 20 0 EHADRM CCc1oc2ccccc2c1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000191206482 959545193 /nfs/dbraw/zinc/54/51/93/959545193.db2.gz DJUCHDAHHSZEQR-ZDUSSCGKSA-N -1 0 329.396 3.712 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1)C(=O)[O-] ZINC000191386556 959556474 /nfs/dbraw/zinc/55/64/74/959556474.db2.gz NYNKQFYHAPSOHR-NSHDSACASA-N -1 0 349.333 3.804 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)[C@@H](C)Cc2ccccc2F)cc1)C(=O)[O-] ZINC000191409674 959562258 /nfs/dbraw/zinc/56/22/58/959562258.db2.gz LRZHAKVZCGJADC-KBPBESRZSA-N -1 0 343.398 3.906 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)[C@@H](C)Cc2ccccc2F)cc1)C(=O)[O-] ZINC000191409690 959562736 /nfs/dbraw/zinc/56/27/36/959562736.db2.gz LRZHAKVZCGJADC-UONOGXRCSA-N -1 0 343.398 3.906 20 0 EHADRM O=C([O-])C1(CNC(=O)c2cccc(-c3ccoc3)c2)CCCCC1 ZINC000191502526 959573458 /nfs/dbraw/zinc/57/34/58/959573458.db2.gz UCLPQUAKURZIFK-UHFFFAOYSA-N -1 0 327.380 3.712 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 ZINC000191616399 959585468 /nfs/dbraw/zinc/58/54/68/959585468.db2.gz VFXYZHVCAAHELT-BDAKNGLRSA-N -1 0 347.745 3.771 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)CCC(=O)c2cccs2)cc1)C(=O)[O-] ZINC000192917848 959595971 /nfs/dbraw/zinc/59/59/71/959595971.db2.gz DWAQFSINWUDZJC-LBPRGKRZSA-N -1 0 345.420 3.613 20 0 EHADRM C[C@H](C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21)c1cc2ccccc2o1 ZINC000192952761 959600038 /nfs/dbraw/zinc/60/00/38/959600038.db2.gz ABELZEXKXNTMGU-SWLSCSKDSA-N -1 0 335.359 3.751 20 0 EHADRM CC(C)[C@@H](C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000193077695 959612414 /nfs/dbraw/zinc/61/24/14/959612414.db2.gz CULKPFTWCAAYJF-NQIIRXRSSA-N -1 0 339.435 3.585 20 0 EHADRM CC1(C)CN(C(=O)c2coc(/C=C/C(=O)[O-])c2)[C@@H]1c1ccccc1 ZINC001573675469 959722463 /nfs/dbraw/zinc/72/24/63/959722463.db2.gz KZEGKFRSRBKLNU-KBOKABMXSA-N -1 0 325.364 3.601 20 0 EHADRM Cc1c(F)cccc1NC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001594263514 959727649 /nfs/dbraw/zinc/72/76/49/959727649.db2.gz ZBOFNLMSAYXKRJ-XJKSGUPXSA-N -1 0 328.343 3.569 20 0 EHADRM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC001594266765 959746564 /nfs/dbraw/zinc/74/65/64/959746564.db2.gz NJRAUGCXYUEQRY-IMJJTQAJSA-N -1 0 346.471 3.634 20 0 EHADRM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC001594267371 959751129 /nfs/dbraw/zinc/75/11/29/959751129.db2.gz WNQGHVXCBNYSNB-YOEHRIQHSA-N -1 0 332.444 3.531 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc(Cl)n1 ZINC000228418952 960014267 /nfs/dbraw/zinc/01/42/67/960014267.db2.gz HDPAXQBKVFXPMO-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)NCCC(C)(C)C(=O)[O-] ZINC001573725322 960398514 /nfs/dbraw/zinc/39/85/14/960398514.db2.gz CVWWUWZURNZLMC-CJNGLKHVSA-N -1 0 332.444 3.500 20 0 EHADRM C[C@H]1CCCN(Cc2nc3cc(C(F)(F)F)ccc3o2)[C@H]1C(=O)[O-] ZINC001573725640 960401474 /nfs/dbraw/zinc/40/14/74/960401474.db2.gz FBOQBUGXDMAHRO-LKFCYVNXSA-N -1 0 342.317 3.532 20 0 EHADRM CC(C)(C)Cc1csc(NC(=O)c2coc(/C=C\C(=O)[O-])c2)n1 ZINC001588657946 960419365 /nfs/dbraw/zinc/41/93/65/960419365.db2.gz CQHJMFMBQWVXAV-PLNGDYQASA-N -1 0 334.397 3.675 20 0 EHADRM C[C@H]1CCc2c(sc(NC(=O)c3coc(C4CC4)n3)c2C(=O)[O-])C1 ZINC001573739117 960475514 /nfs/dbraw/zinc/47/55/14/960475514.db2.gz ONVDFKCPUSTYRQ-QMMMGPOBSA-N -1 0 346.408 3.689 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CNc1cc(Br)c(F)cc1F ZINC000235833468 960510821 /nfs/dbraw/zinc/51/08/21/960510821.db2.gz RRXMKJRZSLMJMA-UHFFFAOYSA-N -1 0 346.127 3.939 20 0 EHADRM CC(C)[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000392811207 972525526 /nfs/dbraw/zinc/52/55/26/972525526.db2.gz XMKOHSQTZJOORK-PWSUYJOCSA-N -1 0 340.370 3.999 20 0 EHADRM O=C([O-])c1cccc(COc2ccc(Cl)cc2Br)n1 ZINC000236489290 960679872 /nfs/dbraw/zinc/67/98/72/960679872.db2.gz XOKBPAGZAYGLEF-UHFFFAOYSA-N -1 0 342.576 3.775 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)C2C3CC4CC(C3)CC2C4)c1F ZINC000392803277 972524545 /nfs/dbraw/zinc/52/45/45/972524545.db2.gz SONDAKKWNXLZPC-UHFFFAOYSA-N -1 0 335.350 3.674 20 0 EHADRM CC(C)C[C@H](NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000236596425 960712687 /nfs/dbraw/zinc/71/26/87/960712687.db2.gz OPCXQUMQQUFHTN-FZMZJTMJSA-N -1 0 345.361 3.815 20 0 EHADRM CC(C)(C)c1ncc(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)s1 ZINC000236644582 960722798 /nfs/dbraw/zinc/72/27/98/960722798.db2.gz OXFRHSWTJLVKSX-UHFFFAOYSA-N -1 0 348.424 3.546 20 0 EHADRM CCCOc1cccc(CC(=O)Nc2ccc(C(=O)[O-])cc2C)c1 ZINC001261261542 960726674 /nfs/dbraw/zinc/72/66/74/960726674.db2.gz ZHXGIPBIESPLHT-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM Cc1cc(C(=O)N[C@@H](C(=O)[O-])C(C)C)c(C)n1[C@H](C)c1ccccc1 ZINC000236706443 960737849 /nfs/dbraw/zinc/73/78/49/960737849.db2.gz ZJLVUGKIHCSEEO-RDTXWAMCSA-N -1 0 342.439 3.553 20 0 EHADRM CC(C)[C@@H](NC(=O)c1ccc(SCc2ccccc2)cc1)C(=O)[O-] ZINC000236713035 960740201 /nfs/dbraw/zinc/74/02/01/960740201.db2.gz DSKCYICJZJEZCH-QGZVFWFLSA-N -1 0 343.448 3.818 20 0 EHADRM Cc1ccccc1[C@@H]1CN([C@H](C(=O)[O-])c2ccccc2Cl)CCO1 ZINC001261516995 960743028 /nfs/dbraw/zinc/74/30/28/960743028.db2.gz GFDCGDCQJYRGEB-ROUUACIJSA-N -1 0 345.826 3.848 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC000236736154 960746901 /nfs/dbraw/zinc/74/69/01/960746901.db2.gz BIZXIMURUMEILC-MRXNPFEDSA-N -1 0 345.439 3.749 20 0 EHADRM CC(C)(C)/C=C/C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000236740754 960747114 /nfs/dbraw/zinc/74/71/14/960747114.db2.gz XDLDOLFRLYTYKZ-ZHACJKMWSA-N -1 0 327.380 3.844 20 0 EHADRM CC(C)Oc1ccc([C@H](C)NC(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000236742551 960748340 /nfs/dbraw/zinc/74/83/40/960748340.db2.gz RNXJBABMWSGTDB-NSHDSACASA-N -1 0 333.409 3.725 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)C(C)(C)Oc2ccccc2)cc1 ZINC001261631282 960749693 /nfs/dbraw/zinc/74/96/93/960749693.db2.gz OJPVMJMGVYWCBG-CYBMUJFWSA-N -1 0 327.380 3.671 20 0 EHADRM CC(C)Oc1cccc([C@@H](C)NC(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000236769172 960752815 /nfs/dbraw/zinc/75/28/15/960752815.db2.gz ITCPJBIISGEJRY-CYBMUJFWSA-N -1 0 327.380 3.663 20 0 EHADRM Cc1ccc(-c2nc(C(=O)N(CCC(=O)[O-])CC(C)C)cs2)cc1 ZINC000236761108 960753727 /nfs/dbraw/zinc/75/37/27/960753727.db2.gz RUUWWBHDKYNBEL-UHFFFAOYSA-N -1 0 346.452 3.691 20 0 EHADRM CCC[C@@H](NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000236845032 960771589 /nfs/dbraw/zinc/77/15/89/960771589.db2.gz DSDUVBROVOPGFH-GXFFZTMASA-N -1 0 331.334 3.569 20 0 EHADRM CCN(c1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2)cc1)C(C)C ZINC000236852585 960774460 /nfs/dbraw/zinc/77/44/60/960774460.db2.gz SPCPGLJWUFTASR-UHFFFAOYSA-N -1 0 340.423 3.550 20 0 EHADRM CCOc1ccc([C@H]2CCCN2C(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000236855111 960777969 /nfs/dbraw/zinc/77/79/69/960777969.db2.gz XQSLRFLVMCBNBL-GOSISDBHSA-N -1 0 339.391 3.761 20 0 EHADRM CCCC[C@H](NC(=O)CSc1ccc2ccccc2c1)C(=O)[O-] ZINC000236871183 960784316 /nfs/dbraw/zinc/78/43/16/960784316.db2.gz IJIWBAKAMYXTNA-INIZCTEOSA-N -1 0 331.437 3.692 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000236936321 960803223 /nfs/dbraw/zinc/80/32/23/960803223.db2.gz KYVSCWCGBOJHOA-LBPRGKRZSA-N -1 0 347.361 3.957 20 0 EHADRM CCC[C@@](C)(NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000236953925 960811219 /nfs/dbraw/zinc/81/12/19/960811219.db2.gz WGVYCIIKJBDSFN-BDJLRTHQSA-N -1 0 345.361 3.959 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)CCC[C@H](O)c1ccccc1 ZINC001262177558 960816040 /nfs/dbraw/zinc/81/60/40/960816040.db2.gz YTPLUEOUVGPOPB-KRWDZBQOSA-N -1 0 327.380 3.536 20 0 EHADRM CCC[C@H](NC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1)C(=O)[O-] ZINC000236966403 960816678 /nfs/dbraw/zinc/81/66/78/960816678.db2.gz OHYMXPCAYVSSHC-ZDUSSCGKSA-N -1 0 344.238 3.785 20 0 EHADRM Cc1cc(C)cc(-c2ccc(CN[C@H](C(=O)[O-])c3ccnn3C)cc2)c1 ZINC001574322344 960831213 /nfs/dbraw/zinc/83/12/13/960831213.db2.gz NNWXPFBLOKEYDM-FQEVSTJZSA-N -1 0 349.434 3.619 20 0 EHADRM CCC[C@H](NC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000237007158 960832349 /nfs/dbraw/zinc/83/23/49/960832349.db2.gz KEWHFWWPUXOXCF-NTYUQYKDSA-N -1 0 349.736 3.742 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)CCc1cccc(OC2CCCC2)c1 ZINC000237032549 960844884 /nfs/dbraw/zinc/84/48/84/960844884.db2.gz AABWUCWMNGUTOO-OAHLLOKOSA-N -1 0 347.455 3.652 20 0 EHADRM CC1(C)C[C@H](c2ccccc2)N(C(=O)NCCCCCC(=O)[O-])C1 ZINC001263064299 960864766 /nfs/dbraw/zinc/86/47/66/960864766.db2.gz WVGYWYKTZWZAFR-MRXNPFEDSA-N -1 0 332.444 3.814 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001573809067 960868428 /nfs/dbraw/zinc/86/84/28/960868428.db2.gz IVRNFUFZJZBKGL-YLJYHZDGSA-N -1 0 329.440 3.586 20 0 EHADRM CC[C@H](NC(=O)Nc1cc(C(=O)[O-])ccn1)c1cc(C)ccc1C ZINC001573810245 960884425 /nfs/dbraw/zinc/88/44/25/960884425.db2.gz CEBGAOUVRFAURS-HNNXBMFYSA-N -1 0 327.384 3.669 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000237270929 960899409 /nfs/dbraw/zinc/89/94/09/960899409.db2.gz ZTQMSZVBAIPWFQ-SFHVURJKSA-N -1 0 343.448 3.843 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)NCCCCCCC(=O)[O-] ZINC000237388667 960924809 /nfs/dbraw/zinc/92/48/09/960924809.db2.gz BWXZFJNHNOSZHO-GFCCVEGCSA-N -1 0 343.876 3.972 20 0 EHADRM CCCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(C)cc2)cc1 ZINC001319219655 960926192 /nfs/dbraw/zinc/92/61/92/960926192.db2.gz XDLIEKSRRBQOEJ-GOSISDBHSA-N -1 0 325.408 3.893 20 0 EHADRM C[C@@H]1CCc2c(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)csc2C1 ZINC000237436946 960934915 /nfs/dbraw/zinc/93/49/15/960934915.db2.gz LAKAOKUEWANLQW-KNPMLCFXSA-N -1 0 347.480 3.731 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2ccc(C(=O)[O-])s2)C2CC2)o1 ZINC000237464160 960938465 /nfs/dbraw/zinc/93/84/65/960938465.db2.gz HQQOFVQLCBKZKI-ZWNOBZJWSA-N -1 0 345.420 3.968 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C[C@@H](C)c1ccccc1 ZINC000237472249 960941609 /nfs/dbraw/zinc/94/16/09/960941609.db2.gz GCZRWZBRBSWVCH-CYBMUJFWSA-N -1 0 327.380 3.591 20 0 EHADRM C[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000237513638 960951280 /nfs/dbraw/zinc/95/12/80/960951280.db2.gz KBVIAGVEBFRCJC-GFCCVEGCSA-N -1 0 346.452 3.878 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ccc(C(=O)[O-])o1 ZINC000237547357 960958812 /nfs/dbraw/zinc/95/88/12/960958812.db2.gz YMNBDQYMBXOYBQ-QWRGUYRKSA-N -1 0 335.787 3.895 20 0 EHADRM Cc1cc(C(=O)NCC(C)(C)C(=O)[O-])c(C)n1-c1cccc(Cl)c1 ZINC000237578802 960967217 /nfs/dbraw/zinc/96/72/17/960967217.db2.gz XTKXQNNZWKCXHL-UHFFFAOYSA-N -1 0 348.830 3.588 20 0 EHADRM C[C@H](CC(=O)NCCCCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000237617706 960976562 /nfs/dbraw/zinc/97/65/62/960976562.db2.gz LIBJQCWSIAFNHL-LLVKDONJSA-N -1 0 331.334 3.570 20 0 EHADRM Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000237620889 960976956 /nfs/dbraw/zinc/97/69/56/960976956.db2.gz SCEHQCBCFVZGCB-NSHDSACASA-N -1 0 333.771 3.753 20 0 EHADRM Cc1ccc(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c2c1CCC2 ZINC001574351456 960993804 /nfs/dbraw/zinc/99/38/04/960993804.db2.gz ZVUCAUMUYNREAS-RBUKOAKNSA-N -1 0 335.403 3.527 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)c(F)c2)cc1 ZINC000237716264 961007020 /nfs/dbraw/zinc/00/70/20/961007020.db2.gz ZKHITXFBBGFVKY-CVEARBPZSA-N -1 0 341.382 3.784 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)CCCc1ccc(F)c(F)c1 ZINC001323486535 961015502 /nfs/dbraw/zinc/01/55/02/961015502.db2.gz ABIAZOSPGUNLAH-UHFFFAOYSA-N -1 0 333.334 3.933 20 0 EHADRM Cc1ccc(CC(=O)Nc2cccc(C(=O)[O-])c2)cc1Br ZINC001574361557 961029794 /nfs/dbraw/zinc/02/97/94/961029794.db2.gz NQEIFQZTGMAICV-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC(Cc3cccc(F)c3)CC2)s1 ZINC000237986663 961068252 /nfs/dbraw/zinc/06/82/52/961068252.db2.gz WIFCCUGKTUXEAR-UHFFFAOYSA-N -1 0 347.411 3.680 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H](Cc2ccccc2)c2cccs2)o1 ZINC000238028803 961082191 /nfs/dbraw/zinc/08/21/91/961082191.db2.gz LIUXMGNRJPKHGN-ZDUSSCGKSA-N -1 0 341.388 3.753 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cn1 ZINC000238044592 961085237 /nfs/dbraw/zinc/08/52/37/961085237.db2.gz ZGBBPQJNYHYFMG-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)nc1 ZINC000238048083 961086042 /nfs/dbraw/zinc/08/60/42/961086042.db2.gz XSYRWVAVGGRFBM-UHFFFAOYSA-N -1 0 333.347 3.776 20 0 EHADRM CCCC[C@@H](CC)C(=O)Nc1sc2c(c1C(=O)[O-])COCC2 ZINC001573841670 961087402 /nfs/dbraw/zinc/08/74/02/961087402.db2.gz YQQLJTKPSWLGPV-SNVBAGLBSA-N -1 0 325.430 3.674 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)cc1 ZINC000238091457 961095105 /nfs/dbraw/zinc/09/51/05/961095105.db2.gz VGQMOEVXDKWOSB-SJORKVTESA-N -1 0 343.810 3.501 20 0 EHADRM CCCCc1ccc(CC(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001573848031 961104849 /nfs/dbraw/zinc/10/48/49/961104849.db2.gz GEIMSQFCIRRNDQ-IBGZPJMESA-N -1 0 343.398 3.653 20 0 EHADRM O=C([O-])CN(Cc1ccccc1)C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000238148061 961128996 /nfs/dbraw/zinc/12/89/96/961128996.db2.gz HTIWWCDWDJHBAO-SJORKVTESA-N -1 0 343.810 3.557 20 0 EHADRM CC(C)(C)c1cc2cccnc2c(NC(=O)C2(C(=O)[O-])CCC2)c1 ZINC001588739211 961145976 /nfs/dbraw/zinc/14/59/76/961145976.db2.gz GJSQLHQDXRPPSN-UHFFFAOYSA-N -1 0 326.396 3.726 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)CCc2ccccc2Cl)cc1 ZINC000238201282 961154396 /nfs/dbraw/zinc/15/43/96/961154396.db2.gz JHYRKVJXUPXBGP-UHFFFAOYSA-N -1 0 347.798 3.765 20 0 EHADRM CCCN(Cc1c(F)cccc1Cl)C(=O)[C@H](C(=O)[O-])C(C)C ZINC001573857651 961158428 /nfs/dbraw/zinc/15/84/28/961158428.db2.gz SUEDJGWFJDQICC-CQSZACIVSA-N -1 0 329.799 3.575 20 0 EHADRM CC(C)(CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-])C1CCCCC1 ZINC001588754642 961215577 /nfs/dbraw/zinc/21/55/77/961215577.db2.gz INMBRWUNHLOSJO-KRWDZBQOSA-N -1 0 347.455 3.501 20 0 EHADRM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001574401752 961236419 /nfs/dbraw/zinc/23/64/19/961236419.db2.gz CQNVHQANRVCTCA-QKPAOTATSA-N -1 0 329.440 3.545 20 0 EHADRM CC(C)(CCNC(=O)c1ccccc1OCc1cccs1)C(=O)[O-] ZINC001588775396 961278844 /nfs/dbraw/zinc/27/88/44/961278844.db2.gz DRHQJMMWVZOWCF-UHFFFAOYSA-N -1 0 347.436 3.558 20 0 EHADRM Cc1ccoc1CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001574410963 961284851 /nfs/dbraw/zinc/28/48/51/961284851.db2.gz FJXSQHIFOKVVQU-SECBINFHSA-N -1 0 333.409 3.654 20 0 EHADRM O=C([O-])c1cccc(NN=Cc2cc(Br)cs2)c1 ZINC000254488234 961320413 /nfs/dbraw/zinc/32/04/13/961320413.db2.gz KIHWHJDXBGSYGU-UHFFFAOYSA-N -1 0 325.187 3.655 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc([C@H]2CCCOC2)cc1 ZINC001330817411 961357108 /nfs/dbraw/zinc/35/71/08/961357108.db2.gz IMNLVQYCPLWIIY-KRWDZBQOSA-N -1 0 339.391 3.840 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N[C@H](CC(F)(F)F)C(=O)[O-] ZINC000261816982 961393685 /nfs/dbraw/zinc/39/36/85/961393685.db2.gz HBGAIVJEUFLUGN-SECBINFHSA-N -1 0 349.692 3.530 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)CCCSc1ccc(Cl)cc1 ZINC000262047245 961416448 /nfs/dbraw/zinc/41/64/48/961416448.db2.gz CMCQNHRQKGGDNV-BXUZGUMPSA-N -1 0 341.860 3.534 20 0 EHADRM CC[C@H](NC(=O)CCc1ccccc1C(=O)[O-])c1ccc(C)cc1 ZINC000262069256 961428698 /nfs/dbraw/zinc/42/86/98/961428698.db2.gz ABOXXWLLMNEEFX-SFHVURJKSA-N -1 0 325.408 3.893 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)NCC1(c2cccc(F)c2)CCCCC1 ZINC001588804939 961473032 /nfs/dbraw/zinc/47/30/32/961473032.db2.gz NRJHOKFOXIAICH-INIZCTEOSA-N -1 0 335.419 3.501 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000262128422 961485082 /nfs/dbraw/zinc/48/50/82/961485082.db2.gz KLQYKXLXBLBRID-UHFFFAOYSA-N -1 0 343.354 3.636 20 0 EHADRM CCCOc1ccccc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000262136028 961488867 /nfs/dbraw/zinc/48/88/67/961488867.db2.gz HXOMLDHMFZSAMJ-UHFFFAOYSA-N -1 0 327.380 3.745 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1nc2c(cccc2C(F)(F)F)s1 ZINC001588809391 961513410 /nfs/dbraw/zinc/51/34/10/961513410.db2.gz OVRJOMNUQYDLJK-SECBINFHSA-N -1 0 346.330 3.610 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2C[C@H]2C2CC2)cc1 ZINC000262165930 961516942 /nfs/dbraw/zinc/51/69/42/961516942.db2.gz OMVHOFRMHJUAFJ-BBWFWOEESA-N -1 0 329.440 3.662 20 0 EHADRM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(C(=O)[O-])n1 ZINC000262202432 961547786 /nfs/dbraw/zinc/54/77/86/961547786.db2.gz URIVJWUJTFNROY-QAPCUYQASA-N -1 0 338.407 3.578 20 0 EHADRM CC(C)[C@@H](CNC(=O)CCc1ccccc1C(=O)[O-])c1ccccc1 ZINC000262201621 961547913 /nfs/dbraw/zinc/54/79/13/961547913.db2.gz OROVNGINNFHTFN-LJQANCHMSA-N -1 0 339.435 3.873 20 0 EHADRM CCOc1ccccc1C(F)(F)C(=O)Nc1sccc1C(=O)[O-] ZINC001573926102 961552643 /nfs/dbraw/zinc/55/26/43/961552643.db2.gz MXCAPNPUPXUUQZ-UHFFFAOYSA-N -1 0 341.335 3.576 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)Cc1ccccc1C(=O)[O-] ZINC000262241971 961585537 /nfs/dbraw/zinc/58/55/37/961585537.db2.gz PELMWYLIBOJBED-INIZCTEOSA-N -1 0 341.407 3.659 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000262258945 961599542 /nfs/dbraw/zinc/59/95/42/961599542.db2.gz XKFPJYFHRKBZGA-NWDGAFQWSA-N -1 0 342.222 3.595 20 0 EHADRM Cc1cc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)c(C)n1CC1CC1 ZINC001333520424 961711748 /nfs/dbraw/zinc/71/17/48/961711748.db2.gz FMFFQISIRKXZDE-OAHLLOKOSA-N -1 0 346.452 3.522 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)ccc1Cl ZINC001333521844 961713496 /nfs/dbraw/zinc/71/34/96/961713496.db2.gz GWWJRELJVMWQHW-ONOSFVFSSA-N -1 0 329.730 3.658 20 0 EHADRM CCCc1nc(C)c(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)s1 ZINC000262477456 961742394 /nfs/dbraw/zinc/74/23/94/961742394.db2.gz HMDVXRUSCAIKMT-UHFFFAOYSA-N -1 0 332.425 3.971 20 0 EHADRM CC(C)[C@H](OC(=O)c1ccc(C(=O)[O-])cn1)c1ccc(F)c(F)c1 ZINC001588836243 961770790 /nfs/dbraw/zinc/77/07/90/961770790.db2.gz UXSHQVYRUHCTQK-HNNXBMFYSA-N -1 0 335.306 3.612 20 0 EHADRM CCN(C(=O)c1cc(Br)cc(C(=O)[O-])c1)C1CCCC1 ZINC000262608408 961784850 /nfs/dbraw/zinc/78/48/50/961784850.db2.gz AHOYIXVBQOLLCX-UHFFFAOYSA-N -1 0 340.217 3.552 20 0 EHADRM CN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262675657 961801666 /nfs/dbraw/zinc/80/16/66/961801666.db2.gz AGCUALLOUNACFX-JOCQHMNTSA-N -1 0 343.345 3.555 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262688938 961809077 /nfs/dbraw/zinc/80/90/77/961809077.db2.gz DKKKTPIJQURIMM-XJFOESAGSA-N -1 0 333.403 3.551 20 0 EHADRM CC(C)[C@H]1N(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC12CC=CC2 ZINC001588843028 961833491 /nfs/dbraw/zinc/83/34/91/961833491.db2.gz WOXOCBYTBHLIAT-CAOSSQGBSA-N -1 0 348.487 3.508 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C2CC2)o1 ZINC000262738719 961838087 /nfs/dbraw/zinc/83/80/87/961838087.db2.gz VXHKUKXJZFXOAH-AYMQEEERSA-N -1 0 345.439 3.785 20 0 EHADRM Cc1nc(CC2CC2)sc1C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001334978963 961863525 /nfs/dbraw/zinc/86/35/25/961863525.db2.gz DPRPXDQFSHSAOM-UHFFFAOYSA-N -1 0 330.409 3.663 20 0 EHADRM CC(C)(C)c1ccc(CCC(=O)N2CCC[C@](C)(C(=O)[O-])C2)cc1 ZINC000262812198 961879685 /nfs/dbraw/zinc/87/96/85/961879685.db2.gz AFCOZKDSUDAOAU-FQEVSTJZSA-N -1 0 331.456 3.630 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)CCCOc2ccc(F)cc2)c1 ZINC000262817650 961884946 /nfs/dbraw/zinc/88/49/46/961884946.db2.gz AQYPBJIZDYKHNA-CYBMUJFWSA-N -1 0 345.370 3.812 20 0 EHADRM O=C([O-])CCCCCCNC(=O)C1(c2ccc(F)cc2F)CCC1 ZINC000262819155 961886983 /nfs/dbraw/zinc/88/69/83/961886983.db2.gz VTJOJQAMXQUQRK-UHFFFAOYSA-N -1 0 339.382 3.538 20 0 EHADRM C[C@@H](CC(=O)NCCCCCCC(=O)[O-])c1ccc(F)cc1F ZINC000262840847 961907198 /nfs/dbraw/zinc/90/71/98/961907198.db2.gz ZQPHRUMDSGGMPS-LBPRGKRZSA-N -1 0 327.371 3.610 20 0 EHADRM CC(C)C[C@@H](CNC(=O)NCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC001588852106 961938408 /nfs/dbraw/zinc/93/84/08/961938408.db2.gz NPDRWRUUEPVJMO-NSHDSACASA-N -1 0 347.242 3.540 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1cccc2c1OC(C)(C)C=C2)C(=O)[O-] ZINC001588852669 961946492 /nfs/dbraw/zinc/94/64/92/961946492.db2.gz CXALANKBWQKJBD-AWEZNQCLSA-N -1 0 346.427 3.739 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000262877392 961949242 /nfs/dbraw/zinc/94/92/42/961949242.db2.gz VPOVMVDNVMYJBB-FRIZHTMISA-N -1 0 335.419 3.544 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N[C@H](C)c1oc2ccccc2c1C ZINC000262880943 961953366 /nfs/dbraw/zinc/95/33/66/961953366.db2.gz HATXZJRIGQHLJI-GFCCVEGCSA-N -1 0 341.363 3.761 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)c2cc(Cl)ccc2F)c2ccccc21 ZINC001574557391 961998119 /nfs/dbraw/zinc/99/81/19/961998119.db2.gz KABNDMSFDVRXOL-SWLSCSKDSA-N -1 0 333.746 3.522 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000262916330 961998853 /nfs/dbraw/zinc/99/88/53/961998853.db2.gz JBPJMOKPJWNAQU-NPSVCUHKSA-N -1 0 349.430 3.655 20 0 EHADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1occc1CSc1ccccc1 ZINC000262923597 962005422 /nfs/dbraw/zinc/00/54/22/962005422.db2.gz FKXUSRCHTQTNIX-SWLSCSKDSA-N -1 0 345.420 3.507 20 0 EHADRM O=C([O-])CCCC(=O)N[C@@H](c1nc2ccccc2[nH]1)C1CCCCC1 ZINC001339183130 962020037 /nfs/dbraw/zinc/02/00/37/962020037.db2.gz NIVIIJXNBUUXLU-GOSISDBHSA-N -1 0 343.427 3.555 20 0 EHADRM Cc1cccc(OCCCCC(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])c1 ZINC000262944204 962029476 /nfs/dbraw/zinc/02/94/76/962029476.db2.gz LUSBVQZPPKJNCF-YLJYHZDGSA-N -1 0 347.455 3.694 20 0 EHADRM CC(C)CCOc1ccccc1NC(=O)NC[C@H](C(=O)[O-])C(C)C ZINC001588867892 962035731 /nfs/dbraw/zinc/03/57/31/962035731.db2.gz MVODWUGZWLPIIZ-AWEZNQCLSA-N -1 0 336.432 3.590 20 0 EHADRM Cc1c(NC(=O)CC2(C)CC2)cc(Br)cc1C(=O)[O-] ZINC001339538255 962040430 /nfs/dbraw/zinc/04/04/30/962040430.db2.gz BYKNNOZEFFQXLM-UHFFFAOYSA-N -1 0 326.190 3.584 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)NC[C@H]1CCCCC(F)(F)C1 ZINC001574567824 962047551 /nfs/dbraw/zinc/04/75/51/962047551.db2.gz PYQMILGDFWQUJG-NSHDSACASA-N -1 0 326.343 3.722 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1csc(C(C)(C)C)n1 ZINC000262987291 962078128 /nfs/dbraw/zinc/07/81/28/962078128.db2.gz PZDXGJUOPURMIR-LBPRGKRZSA-N -1 0 346.452 3.556 20 0 EHADRM O=C([O-])CCCCCCNC(=O)Cc1csc(-c2ccccc2)n1 ZINC000262989679 962080960 /nfs/dbraw/zinc/08/09/60/962080960.db2.gz OGHMFFLQOZKIIL-UHFFFAOYSA-N -1 0 346.452 3.504 20 0 EHADRM CC(C)CCn1c2ccccc2nc1NC(=O)CCCCC(=O)[O-] ZINC001588872066 962089329 /nfs/dbraw/zinc/08/93/29/962089329.db2.gz BCUYMGCSSFDVBV-UHFFFAOYSA-N -1 0 331.416 3.666 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC001340795495 962112871 /nfs/dbraw/zinc/11/28/71/962112871.db2.gz SPKWMDQGHAMTHL-OCCSQVGLSA-N -1 0 331.318 3.714 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1F)c1ccccc1 ZINC001574585489 962113130 /nfs/dbraw/zinc/11/31/30/962113130.db2.gz WAIAZBPBSYPGSE-ZDUSSCGKSA-N -1 0 342.153 3.688 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)N2CCC[C@](C)(C(=O)[O-])C2)cc1 ZINC000263037053 962156771 /nfs/dbraw/zinc/15/67/71/962156771.db2.gz PXRBRUGIAHQUKW-XXIDSNJLSA-N -1 0 329.440 3.927 20 0 EHADRM CC(C)C[C@@H](NC(=O)Nc1ccc(SC(F)F)cc1)C(=O)[O-] ZINC001588884383 962168325 /nfs/dbraw/zinc/16/83/25/962168325.db2.gz WHHMJYGZXUYGRC-LLVKDONJSA-N -1 0 332.372 3.622 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1 ZINC001344499243 962179132 /nfs/dbraw/zinc/17/91/32/962179132.db2.gz LXOACMPPCWPIME-KSZLIROESA-N -1 0 341.382 3.570 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@H](C)c1cn(C)c2ccccc12)CC(=O)[O-] ZINC001588887502 962185570 /nfs/dbraw/zinc/18/55/70/962185570.db2.gz KQNQBLSCHVYHOK-CABCVRRESA-N -1 0 344.455 3.535 20 0 EHADRM CC(C)[C@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000263055018 962189398 /nfs/dbraw/zinc/18/93/98/962189398.db2.gz RMWGPULHYRQFTG-KRWDZBQOSA-N -1 0 326.396 3.581 20 0 EHADRM CC(C)C[C@H](CNC(=O)NCC1(c2ccccc2)CCC1)CC(=O)[O-] ZINC001588892377 962205616 /nfs/dbraw/zinc/20/56/16/962205616.db2.gz DWKPJEZTMQTJHD-INIZCTEOSA-N -1 0 346.471 3.545 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)c1 ZINC000263080807 962225154 /nfs/dbraw/zinc/22/51/54/962225154.db2.gz BHLBBKUFWOPIGY-LBPRGKRZSA-N -1 0 345.370 3.594 20 0 EHADRM O=C([O-])[C@H](C(=O)NCc1c(Cl)oc2ccccc21)C1CCCC1 ZINC001574616665 962227775 /nfs/dbraw/zinc/22/77/75/962227775.db2.gz JAJJILLLIVORGH-AWEZNQCLSA-N -1 0 335.787 3.593 20 0 EHADRM CS[C@@H](C)CC(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000263082713 962229097 /nfs/dbraw/zinc/22/90/97/962229097.db2.gz HCNIJWSDECEDCL-SWLSCSKDSA-N -1 0 337.485 3.758 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1cnc(-c2ccccc2)s1)C1CCCC1 ZINC001574621364 962251964 /nfs/dbraw/zinc/25/19/64/962251964.db2.gz PLRDXBQMJGOZEU-AWEZNQCLSA-N -1 0 330.409 3.640 20 0 EHADRM C[C@@H](CC1CCCC1)C(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC000263107000 962257906 /nfs/dbraw/zinc/25/79/06/962257906.db2.gz RNACTIRKINBFPF-KBPBESRZSA-N -1 0 333.428 3.544 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC001588906230 962279227 /nfs/dbraw/zinc/27/92/27/962279227.db2.gz RYRHNQNDQZYZSE-DOTOQJQBSA-N -1 0 331.456 3.702 20 0 EHADRM O=C([O-])C1(C(=O)NCC[C@@H]2CCc3ccccc32)CCCCCC1 ZINC001574629859 962292546 /nfs/dbraw/zinc/29/25/46/962292546.db2.gz GTCWTTYINKRRKJ-INIZCTEOSA-N -1 0 329.440 3.648 20 0 EHADRM CCc1cccc(CC(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000263144668 962297280 /nfs/dbraw/zinc/29/72/80/962297280.db2.gz NAFXQCOQQNLPBM-SFHVURJKSA-N -1 0 325.408 3.514 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CC[C@@H](c2ccccc2)C1(C)C ZINC000263144243 962298016 /nfs/dbraw/zinc/29/80/16/962298016.db2.gz GYVVVLDXUPKNQB-HNNXBMFYSA-N -1 0 341.407 3.623 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000263147637 962301660 /nfs/dbraw/zinc/30/16/60/962301660.db2.gz YVDIUEUXMGBSGB-UEDWAMCQSA-N -1 0 349.430 3.655 20 0 EHADRM CC(C)(C(=O)NCCCCCCC(=O)[O-])c1ccc(Cl)cc1F ZINC000263163902 962315381 /nfs/dbraw/zinc/31/53/81/962315381.db2.gz PDNLJJNOEIGISI-UHFFFAOYSA-N -1 0 343.826 3.908 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)c1 ZINC000263168740 962320449 /nfs/dbraw/zinc/32/04/49/962320449.db2.gz QXCBMTYKUURHKV-DLBZAZTESA-N -1 0 327.355 3.585 20 0 EHADRM O=C([O-])C1(C(=O)NCc2ccccc2Sc2ccccc2)CCC1 ZINC001574633835 962320744 /nfs/dbraw/zinc/32/07/44/962320744.db2.gz ZTBARBCVVVWHSE-UHFFFAOYSA-N -1 0 341.432 3.709 20 0 EHADRM C[C@H](CCC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000263185831 962340103 /nfs/dbraw/zinc/34/01/03/962340103.db2.gz SAPSJQSTOOBSTK-OAHLLOKOSA-N -1 0 325.408 3.927 20 0 EHADRM COc1cccc(CCC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c1F ZINC000263199313 962356115 /nfs/dbraw/zinc/35/61/15/962356115.db2.gz JRKLJQROZVMXIP-LBPRGKRZSA-N -1 0 345.370 3.594 20 0 EHADRM CCOCCC1(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)CCCC1 ZINC000263207940 962364712 /nfs/dbraw/zinc/36/47/12/962364712.db2.gz KYWJEPJLLBJNTB-AWEZNQCLSA-N -1 0 333.428 3.800 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1 ZINC000263220269 962373992 /nfs/dbraw/zinc/37/39/92/962373992.db2.gz OXMXGMISESFRSA-LBPRGKRZSA-N -1 0 345.370 3.594 20 0 EHADRM CC(C)(C)CC(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC000263252797 962395267 /nfs/dbraw/zinc/39/52/67/962395267.db2.gz VJTSCKLYMXZRSX-UHFFFAOYSA-N -1 0 332.425 3.561 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)CCCCC(=O)[O-])c1ccc(F)cc1F ZINC000263268655 962407430 /nfs/dbraw/zinc/40/74/30/962407430.db2.gz HTZJBKLBYJJQMI-INIZCTEOSA-N -1 0 327.371 3.813 20 0 EHADRM C[C@H](C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC000263271813 962409345 /nfs/dbraw/zinc/40/93/45/962409345.db2.gz IFKDUGRIOXBRQO-DJJJIMSYSA-N -1 0 345.826 3.602 20 0 EHADRM CC[C@@H](C)Oc1cc(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)ccn1 ZINC000263290045 962429036 /nfs/dbraw/zinc/42/90/36/962429036.db2.gz MAMZOVQYOCUKKJ-CHWSQXEVSA-N -1 0 342.395 3.699 20 0 EHADRM Cc1ccccc1OCCCC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000263292298 962432315 /nfs/dbraw/zinc/43/23/15/962432315.db2.gz MJRPTAYMUXCCKF-HNNXBMFYSA-N -1 0 341.407 3.981 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000263305199 962446781 /nfs/dbraw/zinc/44/67/81/962446781.db2.gz VSULEPYNLDIMNM-LAUBAEHRSA-N -1 0 335.403 3.844 20 0 EHADRM CCOc1ccc2c(c1)CN([C@H](C)c1cc(C)c(C(=O)[O-])o1)CC2 ZINC001349584482 962472972 /nfs/dbraw/zinc/47/29/72/962472972.db2.gz XNIOZUFQNKLCKN-CYBMUJFWSA-N -1 0 329.396 3.804 20 0 EHADRM O=C([O-])[C@H](c1ccsc1)N1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC001349590890 962476187 /nfs/dbraw/zinc/47/61/87/962476187.db2.gz CJDJQDNOHJEKQV-MFKMUULPSA-N -1 0 343.857 3.662 20 0 EHADRM Cc1cc(CNC(=O)c2cccc(C)c2C(F)(F)F)oc1C(=O)[O-] ZINC001349945146 962500763 /nfs/dbraw/zinc/50/07/63/962500763.db2.gz VETPWZRLCRXIFP-UHFFFAOYSA-N -1 0 341.285 3.543 20 0 EHADRM CC[C@H]1c2ccsc2CCN1C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000263357445 962514641 /nfs/dbraw/zinc/51/46/41/962514641.db2.gz SFGLOWCIHVAKJK-HNNXBMFYSA-N -1 0 329.421 3.525 20 0 EHADRM Cc1ccc2[nH]c([C@H]3CCCN3C(=O)c3cccc(C(=O)[O-])c3)nc2c1 ZINC000263400883 962563499 /nfs/dbraw/zinc/56/34/99/962563499.db2.gz GMVQFUYSYVGPBT-QGZVFWFLSA-N -1 0 349.390 3.547 20 0 EHADRM CC(C)[C@H](Nc1nc(-c2cc(Cl)cc(Cl)c2)no1)C(=O)[O-] ZINC001588960909 962624258 /nfs/dbraw/zinc/62/42/58/962624258.db2.gz WLLMECMILXTHAH-JTQLQIEISA-N -1 0 330.171 3.565 20 0 EHADRM CC(C)c1cc(C(=O)N2CCC[C@]2(C)C(=O)[O-])c(O)c(C(C)C)c1 ZINC001588964223 962645122 /nfs/dbraw/zinc/64/51/22/962645122.db2.gz YQGHUKHLGZXHEB-LJQANCHMSA-N -1 0 333.428 3.718 20 0 EHADRM CCOCCOc1ccc(Cl)cc1NC1CCC(C(=O)[O-])CC1 ZINC000263466728 962653526 /nfs/dbraw/zinc/65/35/26/962653526.db2.gz KETNLDYGGBBRSA-UHFFFAOYSA-N -1 0 341.835 3.811 20 0 EHADRM O=C([O-])CCCC(=O)OCc1ccc(OC(F)(F)F)cc1Cl ZINC001574697342 962666792 /nfs/dbraw/zinc/66/67/92/962666792.db2.gz HQZULNKRIQXXPO-UHFFFAOYSA-N -1 0 340.681 3.537 20 0 EHADRM Cc1ccc2c(C(=O)N3C[C@@H]4CCC[C@H]4[C@@H]3C(=O)[O-])csc2c1 ZINC000263531913 962712890 /nfs/dbraw/zinc/71/28/90/962712890.db2.gz MXYAWHNXYQQAFO-HWWQOWPSSA-N -1 0 329.421 3.535 20 0 EHADRM CC(C)C[C@@H](CNC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000263532095 962712945 /nfs/dbraw/zinc/71/29/45/962712945.db2.gz MYTBYOSRGWDPPE-WCQYABFASA-N -1 0 349.324 3.579 20 0 EHADRM O=C([O-])C1CCC(Nc2cnc3cc(Cl)c(Cl)cc3n2)CC1 ZINC000263567226 962732789 /nfs/dbraw/zinc/73/27/89/962732789.db2.gz XHFFUVAXAPIXHS-UHFFFAOYSA-N -1 0 340.210 3.992 20 0 EHADRM COCc1cccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)c1 ZINC001574168812 962738640 /nfs/dbraw/zinc/73/86/40/962738640.db2.gz IOEVKQHFZMXOOY-UHFFFAOYSA-N -1 0 337.734 3.576 20 0 EHADRM COc1cc(NC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc2ccccc21 ZINC001574186040 962834212 /nfs/dbraw/zinc/83/42/12/962834212.db2.gz IAYWKAJDPHTTEP-JSGCOSHPSA-N -1 0 342.395 3.565 20 0 EHADRM CC(C)(C)Nc1ccccc1NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001573407257 963148667 /nfs/dbraw/zinc/14/86/67/963148667.db2.gz QAQJEJWHDOJGOH-UHFFFAOYSA-N -1 0 342.395 3.613 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccccc1OCc1ccccc1 ZINC000310344932 963401240 /nfs/dbraw/zinc/40/12/40/963401240.db2.gz NOHXFCYZHYPPRO-AWEZNQCLSA-N -1 0 327.380 3.705 20 0 EHADRM C/C(=C\C(=O)[O-])COc1cc(Br)cc(C(F)(F)F)c1 ZINC000311778347 963511117 /nfs/dbraw/zinc/51/11/17/963511117.db2.gz WZSJXMCWWLPKIO-FARCUNLSSA-N -1 0 339.107 3.878 20 0 EHADRM Cc1csc(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)c1Cl ZINC000313327164 963638312 /nfs/dbraw/zinc/63/83/12/963638312.db2.gz VRGOAHVUYWVYSO-UHFFFAOYSA-N -1 0 331.727 3.939 20 0 EHADRM C[C@@H](N[C@@H]1CCSc2ccc(F)cc21)c1ncc(C(=O)[O-])s1 ZINC000314633954 963781992 /nfs/dbraw/zinc/78/19/92/963781992.db2.gz JKCZLXBLQFOUAJ-LDYMZIIASA-N -1 0 338.429 3.868 20 0 EHADRM O=C([O-])[C@H]1CCCCCN1C(=O)CCSc1ccccc1Cl ZINC000315271094 963873342 /nfs/dbraw/zinc/87/33/42/963873342.db2.gz NGRPPIXCUOMQSR-CYBMUJFWSA-N -1 0 341.860 3.678 20 0 EHADRM COc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)c(C(=O)[O-])c1 ZINC000316522158 964021524 /nfs/dbraw/zinc/02/15/24/964021524.db2.gz WOMVTKAXPFJMRQ-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM Cc1cc(Br)cc(C(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000130624671 967629476 /nfs/dbraw/zinc/62/94/76/967629476.db2.gz DZHOGJARFFGZCB-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM Cc1cc(C)c(NC(=O)CCCCC(=O)[O-])c(Br)c1 ZINC000159569068 967651367 /nfs/dbraw/zinc/65/13/67/967651367.db2.gz KRLQXAOQADFBHX-UHFFFAOYSA-N -1 0 328.206 3.649 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000190880607 967680599 /nfs/dbraw/zinc/68/05/99/967680599.db2.gz GWIYFGNKDVANSX-UHFFFAOYSA-N -1 0 331.334 3.556 20 0 EHADRM Cc1cc(C)c(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)c(Br)c1 ZINC000235817541 967768507 /nfs/dbraw/zinc/76/85/07/967768507.db2.gz AJBOAIADHOFMPG-MNOVXSKESA-N -1 0 340.217 3.505 20 0 EHADRM CC(C)C[C@@H](NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000236787692 967781177 /nfs/dbraw/zinc/78/11/77/967781177.db2.gz WIDWJWDXRSWVRC-MGPQQGTHSA-N -1 0 344.238 3.712 20 0 EHADRM C[C@H](CN(C)C(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1)C(=O)[O-] ZINC000262922111 967832205 /nfs/dbraw/zinc/83/22/05/967832205.db2.gz FRBMYBDCZCGAJR-DOMZBBRYSA-N -1 0 338.423 3.665 20 0 EHADRM C[C@H]1CN(C(=O)c2ccccc2Oc2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000263062644 967840752 /nfs/dbraw/zinc/84/07/52/967840752.db2.gz STGYFIAWAUHYQE-HOCLYGCPSA-N -1 0 339.391 3.662 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc(OC3CCCC3)cc2)C1 ZINC000263081235 967845103 /nfs/dbraw/zinc/84/51/03/967845103.db2.gz HSQKYXIEMDHUKO-ZIAGYGMSSA-N -1 0 346.427 3.583 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cccc(Oc3ccccc3)c2)C1 ZINC000263123773 967850771 /nfs/dbraw/zinc/85/07/71/967850771.db2.gz CMJITLUNXTYYFK-GDBMZVCRSA-N -1 0 339.391 3.662 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263135163 967852774 /nfs/dbraw/zinc/85/27/74/967852774.db2.gz DEFPCNVGDUXHEL-QWRGUYRKSA-N -1 0 341.860 3.635 20 0 EHADRM COc1cc(Cl)c(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)cc1Cl ZINC000263308484 967869122 /nfs/dbraw/zinc/86/91/22/967869122.db2.gz HQQADHQFVNOMIJ-VHSXEESVSA-N -1 0 332.227 3.687 20 0 EHADRM Cc1c(C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)sc2cccc(F)c12 ZINC000263346319 967876626 /nfs/dbraw/zinc/87/66/26/967876626.db2.gz ORSSNFWEJYHKQC-GXSJLCMTSA-N -1 0 335.400 3.532 20 0 EHADRM CCC(CC)n1ccc(C(=O)Nc2cccc(CCC(=O)[O-])c2)n1 ZINC000263469179 967895830 /nfs/dbraw/zinc/89/58/30/967895830.db2.gz XHKZOILSRQMKMZ-UHFFFAOYSA-N -1 0 329.400 3.514 20 0 EHADRM CC(C)C[C@H](CNC(=O)N(C)[C@@H](C)c1ccccc1F)CC(=O)[O-] ZINC000325016661 968035041 /nfs/dbraw/zinc/03/50/41/968035041.db2.gz BFQBIKLDKMNQCP-KBPBESRZSA-N -1 0 338.423 3.665 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)c1ccc(OC(F)F)cc1 ZINC000327334171 968047718 /nfs/dbraw/zinc/04/77/18/968047718.db2.gz ZGVFKEYAHSJTJK-UHFFFAOYSA-N -1 0 347.317 3.579 20 0 EHADRM Cc1csc(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])c1Cl ZINC000389131752 968161010 /nfs/dbraw/zinc/16/10/10/968161010.db2.gz KQZYCFCRYOPPKJ-ZDUSSCGKSA-N -1 0 335.812 3.534 20 0 EHADRM Cc1c(C(=O)Nc2ccnc(C(=O)[O-])c2)sc2cccc(F)c12 ZINC000389974964 968174115 /nfs/dbraw/zinc/17/41/15/968174115.db2.gz UERUVDGIQGJROQ-UHFFFAOYSA-N -1 0 330.340 3.694 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1ccnc(-c2ccccc2)c1 ZINC000417760986 968346240 /nfs/dbraw/zinc/34/62/40/968346240.db2.gz GVIAHDNUFGWXSF-UHFFFAOYSA-N -1 0 327.384 3.514 20 0 EHADRM CC(C)(CCNC(=O)N1CC2(CCCC2)c2c1cccc2F)C(=O)[O-] ZINC000424396157 968361289 /nfs/dbraw/zinc/36/12/89/968361289.db2.gz GKXZERDTKLUJRZ-UHFFFAOYSA-N -1 0 348.418 3.668 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cccc(-c2cscn2)c1 ZINC000449137769 968377189 /nfs/dbraw/zinc/37/71/89/968377189.db2.gz GQMLCQONQSEPNA-OAHLLOKOSA-N -1 0 344.436 3.670 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000532867397 968399694 /nfs/dbraw/zinc/39/96/94/968399694.db2.gz MOJIKTXTVGDEOD-NWDGAFQWSA-N -1 0 341.860 3.534 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)N1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 ZINC000566071509 968426245 /nfs/dbraw/zinc/42/62/45/968426245.db2.gz PBAPIKSNCOTWLJ-PXAZEXFGSA-N -1 0 343.810 3.687 20 0 EHADRM CC(C)C[C@H](NC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000571759128 968448255 /nfs/dbraw/zinc/44/82/55/968448255.db2.gz BCNTZJWRBHHBNF-XIRDDKMYSA-N -1 0 332.444 3.526 20 0 EHADRM O=C([O-])CC1(C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)CCC1 ZINC000576639829 968462353 /nfs/dbraw/zinc/46/23/53/968462353.db2.gz BVHRNGFTAORLAZ-UHFFFAOYSA-N -1 0 349.390 3.585 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)C2(c3cccs3)CCCCC2)c1 ZINC000623102727 968512981 /nfs/dbraw/zinc/51/29/81/968512981.db2.gz CGDYIASKPRIXPA-UHFFFAOYSA-N -1 0 330.409 3.682 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N(CC1CC1)c1cccc(F)c1 ZINC000630303854 968533586 /nfs/dbraw/zinc/53/35/86/968533586.db2.gz BLGWPNZMMWETKC-UHFFFAOYSA-N -1 0 327.355 3.510 20 0 EHADRM C[C@@H](c1ncc(C(C)(C)C)o1)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000652470366 968634485 /nfs/dbraw/zinc/63/44/85/968634485.db2.gz VJFHHDNZTNQXHC-WFASDCNBSA-N -1 0 328.412 3.717 20 0 EHADRM C[C@H](CNC(=O)Nc1cc(Cl)ccc1OC1CCCC1)C(=O)[O-] ZINC000653543490 968674755 /nfs/dbraw/zinc/67/47/55/968674755.db2.gz PQOGUWYLUQILSH-SNVBAGLBSA-N -1 0 340.807 3.504 20 0 EHADRM C[C@H](NC(=O)c1c[nH]cc1-c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655585857 968688717 /nfs/dbraw/zinc/68/87/17/968688717.db2.gz GTJKKCOAGSSSNZ-AFAVFJNCSA-N -1 0 340.423 3.547 20 0 EHADRM CC(C)[C@@H](CNC(=O)N1C[C@H](C)CC[C@H]1c1ccccc1)C(=O)[O-] ZINC000655897023 968708897 /nfs/dbraw/zinc/70/88/97/968708897.db2.gz QJBWSANGBLHTDK-OIISXLGYSA-N -1 0 332.444 3.526 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cc(Cl)cc3ccccc32)C1 ZINC000659764664 968747047 /nfs/dbraw/zinc/74/70/47/968747047.db2.gz MPZWECWSKWMYOO-WCQYABFASA-N -1 0 331.799 3.676 20 0 EHADRM CC[C@H](C)[C@@H](C)NC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666522929 968838834 /nfs/dbraw/zinc/83/88/34/968838834.db2.gz MQXMCKAZDAQZQJ-UONOGXRCSA-N -1 0 332.444 3.708 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C)c(F)c2)CC[C@H]1C(=O)[O-] ZINC000887392964 969411220 /nfs/dbraw/zinc/41/12/20/969411220.db2.gz JYPNJTJMARWGIM-DGCLKSJQSA-N -1 0 336.407 3.698 20 0 EHADRM Cc1cc2scc(CC(=O)N3CCC[C@@H](CC(=O)[O-])C3)c2s1 ZINC000901451566 969430334 /nfs/dbraw/zinc/43/03/34/969430334.db2.gz CJHLUBZOPCQVJC-NSHDSACASA-N -1 0 337.466 3.527 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cc3ccccc3cc2F)C1 ZINC000901574592 969441093 /nfs/dbraw/zinc/44/10/93/969441093.db2.gz ZJJJLJVEKAGYOO-ZDUSSCGKSA-N -1 0 329.371 3.696 20 0 EHADRM CC[C@@H]1c2ccsc2CCN1C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC000901858447 969484147 /nfs/dbraw/zinc/48/41/47/969484147.db2.gz OOCRYYHDVVXOEW-RDFMZFSFSA-N -1 0 331.393 3.589 20 0 EHADRM Cc1cc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])c2ccc(F)cc2n1 ZINC001261253313 969687919 /nfs/dbraw/zinc/68/79/19/969687919.db2.gz YGIIXVCNOMWHPN-CQSZACIVSA-N -1 0 344.386 3.542 20 0 EHADRM COc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1C(=O)[O-] ZINC000320078041 970610046 /nfs/dbraw/zinc/61/00/46/970610046.db2.gz VXIZVNSKGAWTPD-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM Cc1c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cccc1C(=O)[O-] ZINC000320087730 970612583 /nfs/dbraw/zinc/61/25/83/970612583.db2.gz CPNSHXNWWLNLCN-LLVKDONJSA-N -1 0 333.771 3.753 20 0 EHADRM CN(C(=O)c1cccc(C(=O)[O-])c1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC001610093363 970665662 /nfs/dbraw/zinc/66/56/62/970665662.db2.gz ONHZYLNEFZPIJA-OLZOCXBDSA-N -1 0 329.318 3.578 20 0 EHADRM C[C@@H](NCc1ncc(C(=O)[O-])s1)c1cccc(C(F)(F)F)c1 ZINC000320631606 970687779 /nfs/dbraw/zinc/68/77/79/970687779.db2.gz GGYISEZFONGBQF-MRVPVSSYSA-N -1 0 330.331 3.711 20 0 EHADRM Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2Cl)c(C(=O)[O-])c1 ZINC000320660715 970693788 /nfs/dbraw/zinc/69/37/88/970693788.db2.gz LOCBBPPYIJIWEQ-NSHDSACASA-N -1 0 333.771 3.753 20 0 EHADRM Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c(C(=O)[O-])c1 ZINC000320672497 970696401 /nfs/dbraw/zinc/69/64/01/970696401.db2.gz NLKZIRGCPMWJSK-LLVKDONJSA-N -1 0 333.771 3.753 20 0 EHADRM Cc1sc(NC(=O)[C@H](C)Oc2cccc(C)c2)c(C(=O)[O-])c1C ZINC000320708067 970702514 /nfs/dbraw/zinc/70/25/14/970702514.db2.gz TUEXUWVXZCTWTF-NSHDSACASA-N -1 0 333.409 3.778 20 0 EHADRM Cc1cccc(CSCC(=O)Nc2ccc(C)cc2C(=O)[O-])c1 ZINC000320709999 970702737 /nfs/dbraw/zinc/70/27/37/970702737.db2.gz UEYJHGBAUIPDKY-UHFFFAOYSA-N -1 0 329.421 3.874 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1O ZINC000320739767 970709288 /nfs/dbraw/zinc/70/92/88/970709288.db2.gz YQMOZGBFZYVGFQ-UHFFFAOYSA-N -1 0 346.389 3.528 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CCc2sccc2[C@H]1C ZINC000321197076 970751215 /nfs/dbraw/zinc/75/12/15/970751215.db2.gz VRMDHHDTGNWWMG-LLVKDONJSA-N -1 0 330.409 3.906 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCc3ccc(F)cc3[C@@H](C)C2)c1 ZINC001600108531 970762277 /nfs/dbraw/zinc/76/22/77/970762277.db2.gz ZGFYPPIUSDILAJ-ZDUSSCGKSA-N -1 0 341.382 3.634 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@H]2CCCCC2(F)F)cc1 ZINC000392916339 972544177 /nfs/dbraw/zinc/54/41/77/972544177.db2.gz VUKGZYFBPGUXGY-CYBMUJFWSA-N -1 0 325.355 3.813 20 0 EHADRM CSc1ccc([C@H](C)NC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)cc1 ZINC001604971739 972564194 /nfs/dbraw/zinc/56/41/94/972564194.db2.gz MDEJECVGZKUSDU-NSHDSACASA-N -1 0 335.469 3.723 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Nc2cc(C3CCCC3)[nH]n2)c(F)c1 ZINC001605844691 972582883 /nfs/dbraw/zinc/58/28/83/972582883.db2.gz DQVYGDSPBKCRPD-UHFFFAOYSA-N -1 0 332.335 3.549 20 0 EHADRM O=C([O-])Cc1sccc1C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000393485561 972603449 /nfs/dbraw/zinc/60/34/49/972603449.db2.gz FBIDPXBQNABOIV-UHFFFAOYSA-N -1 0 344.436 3.618 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)Nc1cccc2ccc(O)cc21 ZINC001603314511 972614945 /nfs/dbraw/zinc/61/49/45/972614945.db2.gz BIQLXDVFOQABLE-UHFFFAOYSA-N -1 0 327.380 3.621 20 0 EHADRM CC1(C)CCc2nc(NC(=O)c3coc(/C=C/C(=O)[O-])c3)sc2C1 ZINC001603329612 972696668 /nfs/dbraw/zinc/69/66/68/972696668.db2.gz UMURTLHHWWLPMG-ONEGZZNKSA-N -1 0 346.408 3.601 20 0 EHADRM CC1(C)CN(C(=O)Nc2cccc(C(=O)[O-])c2)Cc2ccccc2O1 ZINC001603334253 972702527 /nfs/dbraw/zinc/70/25/27/972702527.db2.gz SYTDOVXIAVMHCV-UHFFFAOYSA-N -1 0 340.379 3.590 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1)C1CC1 ZINC001605900941 972730432 /nfs/dbraw/zinc/73/04/32/972730432.db2.gz KLYOXLXQGXGBJZ-INIZCTEOSA-N -1 0 336.347 3.544 20 0 EHADRM Cc1cc([C@@H](NC(=O)Nc2ccnc(C(=O)[O-])c2)C2CC2)ccc1F ZINC001605146046 972826029 /nfs/dbraw/zinc/82/60/29/972826029.db2.gz VOYYANJLOLMYKX-INIZCTEOSA-N -1 0 343.358 3.500 20 0 EHADRM Cc1cc([C@H](NC(=O)Nc2ccnc(C(=O)[O-])c2)C2CC2)ccc1F ZINC001605146050 972826164 /nfs/dbraw/zinc/82/61/64/972826164.db2.gz VOYYANJLOLMYKX-MRXNPFEDSA-N -1 0 343.358 3.500 20 0 EHADRM O=C([O-])[C@]1(C(=O)NCC2(c3cccc(Cl)c3)CCC2)CC=CCC1 ZINC001605924197 972829387 /nfs/dbraw/zinc/82/93/87/972829387.db2.gz RHKDLCGWRWTQIE-LJQANCHMSA-N -1 0 347.842 3.689 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cc1 ZINC000396353395 972863860 /nfs/dbraw/zinc/86/38/60/972863860.db2.gz BEGQRLNCIFVURB-CHWSQXEVSA-N -1 0 342.395 3.766 20 0 EHADRM COc1ccc(/C=C/C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cc1 ZINC000396439523 972887714 /nfs/dbraw/zinc/88/77/14/972887714.db2.gz NBMQFDSJDYKFFK-YFTXEMMHSA-N -1 0 325.364 3.535 20 0 EHADRM C[C@H](Cc1ccsc1)NC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000396449506 972891742 /nfs/dbraw/zinc/89/17/42/972891742.db2.gz RCBXMICBLMAEIE-NEPJUHHUSA-N -1 0 332.425 3.689 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2CCc3sccc3C2)cc1 ZINC000396488043 972903791 /nfs/dbraw/zinc/90/37/91/972903791.db2.gz JUFMLXKIPKNFOI-NSHDSACASA-N -1 0 330.409 3.526 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2CCCc3ccccc3C2)cc1 ZINC000396490564 972904411 /nfs/dbraw/zinc/90/44/11/972904411.db2.gz KMHBBAUXJJHHND-AWEZNQCLSA-N -1 0 338.407 3.855 20 0 EHADRM O=C([O-])C1(NC(=O)C2(Sc3ccccc3)CC2)CCCCCC1 ZINC001605958351 972924891 /nfs/dbraw/zinc/92/48/91/972924891.db2.gz RRYZCKBJZPNAFG-UHFFFAOYSA-N -1 0 333.453 3.605 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCCc1ccc2c(c1)CCCC2 ZINC001603379974 972944543 /nfs/dbraw/zinc/94/45/43/972944543.db2.gz AZQZVXIXOXYSJX-HNAYVOBHSA-N -1 0 343.467 3.600 20 0 EHADRM Cc1cc(OC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc(C)c1Br ZINC001605216912 972964671 /nfs/dbraw/zinc/96/46/71/972964671.db2.gz UOWCHLAFJFXWNZ-NSHDSACASA-N -1 0 343.217 3.718 20 0 EHADRM Cc1ccc(CC2CCN(C(=O)[C@@]3(C(=O)[O-])CC3(C)C)CC2)cc1C ZINC001605265493 973048094 /nfs/dbraw/zinc/04/80/94/973048094.db2.gz ZGGIXTDIGKFREQ-OAQYLSRUSA-N -1 0 343.467 3.585 20 0 EHADRM Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)CCCC(=O)[O-] ZINC001605294328 973104803 /nfs/dbraw/zinc/10/48/03/973104803.db2.gz VLRMFZWCDGULTK-UHFFFAOYSA-N -1 0 336.388 3.535 20 0 EHADRM O=C([O-])C1CN(C(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)C1 ZINC001606031511 973131705 /nfs/dbraw/zinc/13/17/05/973131705.db2.gz NIIPCSDTTYGICT-SOFGYWHQSA-N -1 0 347.823 3.625 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc(C(F)F)cc2F)Cc2ccccc21 ZINC001606041427 973144547 /nfs/dbraw/zinc/14/45/47/973144547.db2.gz MTWJGPWBRGETDV-CQSZACIVSA-N -1 0 349.308 3.588 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc3c(ccc4ccccc34)[nH]2)C[C@@H]1C(=O)[O-] ZINC001603426102 973154408 /nfs/dbraw/zinc/15/44/08/973154408.db2.gz ZCFFLBLALDMKJJ-LRDDRELGSA-N -1 0 336.391 3.504 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)NCc2cc3ccccc3s2)co1 ZINC001606063377 973189758 /nfs/dbraw/zinc/18/97/58/973189758.db2.gz AFJTXFMJHQSEMH-AATRIKPKSA-N -1 0 327.361 3.522 20 0 EHADRM C[C@H](NC(=O)c1csc2c1CC[C@@H](C)C2)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603433288 973191619 /nfs/dbraw/zinc/19/16/19/973191619.db2.gz CTPDIUHSLDTFSC-FDRIWYBQSA-N -1 0 349.496 3.738 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)co1 ZINC001606063896 973195653 /nfs/dbraw/zinc/19/56/53/973195653.db2.gz VEKYOBTYNGIYHL-KUBOQAQJSA-N -1 0 339.391 3.519 20 0 EHADRM Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001605347825 973245814 /nfs/dbraw/zinc/24/58/14/973245814.db2.gz TZBBLLQVLJDIKX-LSDHHAIUSA-N -1 0 329.440 3.689 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)Cc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000400439730 973278721 /nfs/dbraw/zinc/27/87/21/973278721.db2.gz KJZOYWZEFNDLCA-NOZJJQNGSA-N -1 0 332.227 3.542 20 0 EHADRM Cc1ccncc1/C=C/C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001605365916 973300458 /nfs/dbraw/zinc/30/04/58/973300458.db2.gz PNNVGVFZJLGSQT-GORDUTHDSA-N -1 0 334.734 3.533 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)N[C@H](C(F)F)C1CCCCC1 ZINC001606117647 973351232 /nfs/dbraw/zinc/35/12/32/973351232.db2.gz XZELBKOVAPGQHC-HIFRSBDPSA-N -1 0 346.418 3.629 20 0 EHADRM Cc1cc(C(=O)Nc2cc(Br)cc(Cl)c2[O-])ns1 ZINC000444313448 1026038237 /nfs/dbraw/zinc/03/82/37/1026038237.db2.gz NILXYZHAXSEKAN-UHFFFAOYSA-N -1 0 347.621 3.825 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)Nc2cccc(CC(=O)[O-])c2)n1 ZINC001603516008 973527027 /nfs/dbraw/zinc/52/70/27/973527027.db2.gz ITZAIWGAUSGRNE-LBPRGKRZSA-N -1 0 343.383 3.530 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N(C)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001603520146 973546290 /nfs/dbraw/zinc/54/62/90/973546290.db2.gz PTIRVXFPENFLJQ-HOTGVXAUSA-N -1 0 347.455 3.582 20 0 EHADRM Cc1occc1-c1cc(NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])no1 ZINC001605459765 973548444 /nfs/dbraw/zinc/54/84/44/973548444.db2.gz LGZHMMMHHMQHAG-LBPRGKRZSA-N -1 0 349.387 3.644 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1cc(F)c(OC(C)C)c(F)c1 ZINC001603525951 973565331 /nfs/dbraw/zinc/56/53/31/973565331.db2.gz MGGLPRXTQNFUIX-UHFFFAOYSA-N -1 0 329.343 3.582 20 0 EHADRM CC[C@H](CC(F)(F)F)C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000402521521 973616876 /nfs/dbraw/zinc/61/68/76/973616876.db2.gz OOPAPCGLLLTGNY-DGCLKSJQSA-N -1 0 331.334 3.687 20 0 EHADRM CC[C@@H](CSc1ccccc1)NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001603575130 973718424 /nfs/dbraw/zinc/71/84/24/973718424.db2.gz GPRSRHHQMLMCOV-VFNNOXKTSA-N -1 0 345.420 3.678 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC000405228518 973792994 /nfs/dbraw/zinc/79/29/94/973792994.db2.gz FIXKQOKUNQRLQB-NSHDSACASA-N -1 0 335.787 3.625 20 0 EHADRM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001603592750 973793528 /nfs/dbraw/zinc/79/35/28/973793528.db2.gz PFHFMUIMEWEPIH-OWSLCNJRSA-N -1 0 344.455 3.608 20 0 EHADRM CC[C@@H](OCCNC(=O)Nc1ccccc1C(=O)[O-])c1ccccc1 ZINC001603593396 973802564 /nfs/dbraw/zinc/80/25/64/973802564.db2.gz CXUQNNOKLIADRC-QGZVFWFLSA-N -1 0 342.395 3.674 20 0 EHADRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)CCSc1ccc(Cl)cc1 ZINC000405249536 973802711 /nfs/dbraw/zinc/80/27/11/973802711.db2.gz JWJVSAMNIUMKDR-SMDDNHRTSA-N -1 0 341.860 3.582 20 0 EHADRM O=C([O-])[C@H]1CC12CCN(C(=O)Nc1ccc3sccc3c1)CC2 ZINC000405350390 973840524 /nfs/dbraw/zinc/84/05/24/973840524.db2.gz CAPSNIFNXKDAQN-CYBMUJFWSA-N -1 0 330.409 3.620 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])c1 ZINC000405371980 973854918 /nfs/dbraw/zinc/85/49/18/973854918.db2.gz JZUBXRWCIFNKRE-HEHGZKQESA-N -1 0 334.416 3.629 20 0 EHADRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000405470164 973886610 /nfs/dbraw/zinc/88/66/10/973886610.db2.gz URTBWOKACKDPRN-WRWORJQWSA-N -1 0 349.189 3.897 20 0 EHADRM CCC1(CNC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)CCCCC1 ZINC001603611748 973890145 /nfs/dbraw/zinc/89/01/45/973890145.db2.gz OFHOQWTZSRLZPE-IBGZPJMESA-N -1 0 346.471 3.689 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)C2(c3cccc(F)c3)CC2)c1 ZINC000414446822 973939467 /nfs/dbraw/zinc/93/94/67/973939467.db2.gz JQUVFVGXBUKZDG-GFCCVEGCSA-N -1 0 327.355 3.684 20 0 EHADRM COc1cc2c(cc1NC(=O)[C@H](C(=O)[O-])C1CC1)oc1ccccc12 ZINC001604746063 973956286 /nfs/dbraw/zinc/95/62/86/973956286.db2.gz UAEVFLWEJCFOFE-QGZVFWFLSA-N -1 0 339.347 3.644 20 0 EHADRM CSCc1cnc(CN[C@H](C(=O)[O-])c2cc(C)cc(C)c2)s1 ZINC000417562390 973962343 /nfs/dbraw/zinc/96/23/43/973962343.db2.gz MITJGHHQRQZLKK-HNNXBMFYSA-N -1 0 336.482 3.538 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NCc2cncc(Br)c2)cc1 ZINC000417634600 973966838 /nfs/dbraw/zinc/96/68/38/973966838.db2.gz ZFCVTGYCOHHJNT-UHFFFAOYSA-N -1 0 349.228 3.818 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2cc3c(cccc3C3CC3)[nH]2)c1 ZINC001606511713 974004497 /nfs/dbraw/zinc/00/44/97/974004497.db2.gz RJPDNVCIRHDBIU-UHFFFAOYSA-N -1 0 334.375 3.674 20 0 EHADRM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424393639 974026693 /nfs/dbraw/zinc/02/66/93/974026693.db2.gz AYZHAULKRVTODI-SJORKVTESA-N -1 0 346.471 3.855 20 0 EHADRM Cc1ccc(C)c([C@@H]2CCCN2C(=O)NCCC(C)(C)C(=O)[O-])c1 ZINC000424408841 974030971 /nfs/dbraw/zinc/03/09/71/974030971.db2.gz WGGIFJAORBDYNE-INIZCTEOSA-N -1 0 332.444 3.651 20 0 EHADRM CCN(Cc1c[nH]c2ccccc12)C(=O)NCC(CC)(CC)C(=O)[O-] ZINC000424433563 974033344 /nfs/dbraw/zinc/03/33/44/974033344.db2.gz RZSMPBPXCDAAJQ-UHFFFAOYSA-N -1 0 345.443 3.590 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1CCC[C@@H](F)C1)c1ccc(Cl)cc1 ZINC000425238798 974039159 /nfs/dbraw/zinc/03/91/59/974039159.db2.gz JSTWLCLLQVIXSE-YUTCNCBUSA-N -1 0 327.783 3.500 20 0 EHADRM COCc1cc(NC(=O)c2cc(C)ccc2C2CC2)cc(C(=O)[O-])c1 ZINC000425245157 974040689 /nfs/dbraw/zinc/04/06/89/974040689.db2.gz UBMUXNMSLSQEJO-UHFFFAOYSA-N -1 0 339.391 3.969 20 0 EHADRM O=C([O-])[C@@H](NCc1cnn(-c2ccc(Cl)cc2)c1)c1cccs1 ZINC000426813826 974049329 /nfs/dbraw/zinc/04/93/29/974049329.db2.gz ZXUJXBZQMQQLHB-HNNXBMFYSA-N -1 0 347.827 3.503 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)CCc1cccc(C(F)(F)F)c1 ZINC000431438325 974064254 /nfs/dbraw/zinc/06/42/54/974064254.db2.gz JFUHSVOVSJBIOX-UHFFFAOYSA-N -1 0 345.361 3.597 20 0 EHADRM CC[C@@H](C)Oc1cc(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)ccn1 ZINC000431513486 974066927 /nfs/dbraw/zinc/06/69/27/974066927.db2.gz LSVPETKXYKHYHA-GFCCVEGCSA-N -1 0 328.368 3.518 20 0 EHADRM O=C([O-])c1cccnc1NC(=O)/C=C\c1ccc(F)c2ccccc12 ZINC001605668060 974068414 /nfs/dbraw/zinc/06/84/14/974068414.db2.gz MKZVDHWMCJZRFX-NTMALXAHSA-N -1 0 336.322 3.724 20 0 EHADRM COc1ccc([C@@H](C)OC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1C ZINC001604829146 974072388 /nfs/dbraw/zinc/07/23/88/974072388.db2.gz ORVDIYQSBZGAPP-UVMWJGKXSA-N -1 0 330.336 3.612 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1ccc(Cl)c(F)c1 ZINC000431804630 974076342 /nfs/dbraw/zinc/07/63/42/974076342.db2.gz LDHLDDJQCNXZDM-UHFFFAOYSA-N -1 0 349.789 3.986 20 0 EHADRM C[C@@]1(NC(=O)c2cc(Cl)cc(Cl)c2)CCCC[C@H]1C(=O)[O-] ZINC000432102403 974086646 /nfs/dbraw/zinc/08/66/46/974086646.db2.gz JWPBVUFGYRHFDO-SWLSCSKDSA-N -1 0 330.211 3.757 20 0 EHADRM C[C@H](CC1CCCC1)C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000432124700 974089843 /nfs/dbraw/zinc/08/98/43/974089843.db2.gz BKUVSYHYXARGTR-QAPCUYQASA-N -1 0 331.456 3.795 20 0 EHADRM Cc1cc2[nH]c(C(=O)N[C@@]3(C)CCCC[C@@H]3C(=O)[O-])cc2c(C)c1 ZINC000432127546 974089984 /nfs/dbraw/zinc/08/99/84/974089984.db2.gz GUMHXNXCQWAYGT-KUHUBIRLSA-N -1 0 328.412 3.548 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)N2CCC[C@H](CC(=O)[O-])C2)c1 ZINC001604857321 974101697 /nfs/dbraw/zinc/10/16/97/974101697.db2.gz UIUCSWXVQJUAHW-HZPDHXFCSA-N -1 0 347.455 3.682 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)CCc2ccc(C(F)F)cc2)c1 ZINC001605687376 974103180 /nfs/dbraw/zinc/10/31/80/974103180.db2.gz SNALRGRQKAHXRV-UHFFFAOYSA-N -1 0 333.334 3.571 20 0 EHADRM O=C([O-])C1(NC(=O)CCn2ccc3cc(Cl)ccc32)CCCCC1 ZINC001605689369 974106022 /nfs/dbraw/zinc/10/60/22/974106022.db2.gz JHNGPBKTTYWCDW-UHFFFAOYSA-N -1 0 348.830 3.589 20 0 EHADRM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000439790218 974108416 /nfs/dbraw/zinc/10/84/16/974108416.db2.gz HNWYWXJTUAYQSC-CXAGYDPISA-N -1 0 327.380 3.900 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)ccc1Cl ZINC000439927424 974113206 /nfs/dbraw/zinc/11/32/06/974113206.db2.gz UHBFSICMBQUQKA-INIZCTEOSA-N -1 0 345.826 3.854 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)c2ccc(Cl)c(C)c2)C(=O)[O-])cc1 ZINC000439947051 974114191 /nfs/dbraw/zinc/11/41/91/974114191.db2.gz YWECBJVFJUCLAK-OAHLLOKOSA-N -1 0 331.799 3.555 20 0 EHADRM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)c1ccccc1 ZINC000439938986 974114286 /nfs/dbraw/zinc/11/42/86/974114286.db2.gz TVTWWKQDMDESHD-WBMJQRKESA-N -1 0 331.799 3.776 20 0 EHADRM CC(C)C[C@@H](C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000449142757 974145914 /nfs/dbraw/zinc/14/59/14/974145914.db2.gz UMRRBRRMUSRBCI-FUHWJXTLSA-N -1 0 331.456 3.920 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)CCCn1ccc2cc(Cl)ccc21 ZINC000455859569 974154683 /nfs/dbraw/zinc/15/46/83/974154683.db2.gz ANMUNYZRLGALTH-HNNXBMFYSA-N -1 0 348.830 3.541 20 0 EHADRM C[C@H](NC(=O)c1cccc(C(F)F)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000455894605 974164773 /nfs/dbraw/zinc/16/47/73/974164773.db2.gz CBEZDXBPDSXASB-BLLLJJGKSA-N -1 0 347.361 3.686 20 0 EHADRM COc1nccc2cc(NC(=O)C3(C(=O)[O-])CCCCCC3)ccc21 ZINC001604906578 974170538 /nfs/dbraw/zinc/17/05/38/974170538.db2.gz IFBJAXFJSDYLIT-UHFFFAOYSA-N -1 0 342.395 3.607 20 0 EHADRM CCN(CC)c1ccc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001603739502 974185727 /nfs/dbraw/zinc/18/57/27/974185727.db2.gz SDXCLCZMWZXEKX-INIZCTEOSA-N -1 0 334.460 3.542 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000472018590 974200424 /nfs/dbraw/zinc/20/04/24/974200424.db2.gz VLFMNTUTZZBFJV-UHFFFAOYSA-N -1 0 329.400 3.812 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000478848392 974211203 /nfs/dbraw/zinc/21/12/03/974211203.db2.gz BCYBMLSYFQCXNM-MRXNPFEDSA-N -1 0 343.398 3.926 20 0 EHADRM Cc1cc(C)cc(C[C@H](C)NC(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000478862965 974214162 /nfs/dbraw/zinc/21/41/62/974214162.db2.gz XXCKKQIGRNPTOH-ZDUSSCGKSA-N -1 0 329.371 3.502 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)/C=C\c1nc2ccccc2s1 ZINC000492179702 974257835 /nfs/dbraw/zinc/25/78/35/974257835.db2.gz HRNWGUSSTWWWHF-HJWRWDBZSA-N -1 0 338.388 3.955 20 0 EHADRM CCCCc1oc2ccccc2c1CN(C)C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC000507350649 974276048 /nfs/dbraw/zinc/27/60/48/974276048.db2.gz VJDDVFOHWPXONF-LSDHHAIUSA-N -1 0 343.423 3.845 20 0 EHADRM Cc1ccc(Nc2nc(CN3CCC(CC(=O)[O-])CC3)cs2)cc1 ZINC000519412941 974329802 /nfs/dbraw/zinc/32/98/02/974329802.db2.gz VIZHEIWWBXXICG-UHFFFAOYSA-N -1 0 345.468 3.882 20 0 EHADRM CCOCCC1(CNC(=O)c2ccc3[n-]c(=S)oc3c2)CCCC1 ZINC000121244547 1014187382 /nfs/dbraw/zinc/18/73/82/1014187382.db2.gz LHCINQRYXCROBY-UHFFFAOYSA-N -1 0 348.468 3.833 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)Cc1coc(-c2ccccc2)n1 ZINC000532001605 974370418 /nfs/dbraw/zinc/37/04/18/974370418.db2.gz TURLNUSZPRKJFP-UHFFFAOYSA-N -1 0 336.347 3.529 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)CC/C=C\c1ccccc1)CC2 ZINC000537475660 974385568 /nfs/dbraw/zinc/38/55/68/974385568.db2.gz QTHYXGVLFDGMCF-YWEYNIOJSA-N -1 0 335.403 3.763 20 0 EHADRM C[C@@H](NC(=O)c1cccc(OCC(=O)[O-])c1)c1cccc2ccccc21 ZINC000538475514 974388705 /nfs/dbraw/zinc/38/87/05/974388705.db2.gz XWTIAIYBHLUXOH-CQSZACIVSA-N -1 0 349.386 3.794 20 0 EHADRM Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCC3)cc1C(=O)[O-] ZINC000538503820 974389115 /nfs/dbraw/zinc/38/91/15/974389115.db2.gz NFLJFCAAEUHPCW-CYBMUJFWSA-N -1 0 339.391 3.588 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)Cc2ccccc2C(=O)[O-])c1 ZINC000538575627 974390754 /nfs/dbraw/zinc/39/07/54/974390754.db2.gz HJZVLCCDWCFBPQ-UHFFFAOYSA-N -1 0 341.407 3.991 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@@H](c2ccccc2)C(C)C)cc1C ZINC000107960984 1014191069 /nfs/dbraw/zinc/19/10/69/1014191069.db2.gz VZQKPSMVWZULDQ-YKSBVNFPSA-N -1 0 343.492 3.925 20 0 EHADRM O=C([O-])c1cccc(CC(=O)Nc2cccc(-c3nccs3)c2)c1 ZINC000540774960 974407510 /nfs/dbraw/zinc/40/75/10/974407510.db2.gz GCNXMOWUYNSEEZ-UHFFFAOYSA-N -1 0 338.388 3.690 20 0 EHADRM CN(C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1)C1CCCCC1 ZINC000556418756 974488986 /nfs/dbraw/zinc/48/89/86/974488986.db2.gz SVUJXBZOIYORJW-GOSISDBHSA-N -1 0 340.423 3.940 20 0 EHADRM O=C([O-])c1cccc(CC(=O)Nc2ccccc2CC(F)(F)F)c1 ZINC000558135667 974493307 /nfs/dbraw/zinc/49/33/07/974493307.db2.gz XTEGRYDGAXKLCO-UHFFFAOYSA-N -1 0 337.297 3.671 20 0 EHADRM COCC1(CCNc2nc(C)nc3sc(C(=O)[O-])c(C)c32)CCC1 ZINC000563213397 974521876 /nfs/dbraw/zinc/52/18/76/974521876.db2.gz WHWYGRNXZYVWGB-UHFFFAOYSA-N -1 0 349.456 3.625 20 0 EHADRM Cc1oc(CN2CCC(C(=O)c3ccc(C)cc3)CC2)cc1C(=O)[O-] ZINC000563278591 974524662 /nfs/dbraw/zinc/52/46/62/974524662.db2.gz TUNQBQMOBJLLSS-UHFFFAOYSA-N -1 0 341.407 3.690 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1cccc(OCc2cccc(F)c2)c1 ZINC000563548676 974535796 /nfs/dbraw/zinc/53/57/96/974535796.db2.gz JHIKFIXKHIJAKW-ZDUSSCGKSA-N -1 0 345.370 3.844 20 0 EHADRM CC(C)(C)c1cc(CN(CCCC(=O)[O-])Cc2ccccc2)no1 ZINC000564218607 974545692 /nfs/dbraw/zinc/54/56/92/974545692.db2.gz GMUWORJUXRWISL-UHFFFAOYSA-N -1 0 330.428 3.839 20 0 EHADRM CC(C)c1nnc(CN2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])s1 ZINC000564584948 974550107 /nfs/dbraw/zinc/55/01/07/974550107.db2.gz IWEXHWJMOCBBNF-KGLIPLIRSA-N -1 0 337.489 3.517 20 0 EHADRM C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1Cc1occc1C(=O)[O-] ZINC000564660088 974551494 /nfs/dbraw/zinc/55/14/94/974551494.db2.gz AGFUWGDRBRITBH-ABAIWWIYSA-N -1 0 335.787 3.593 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(NCC[C@@H]3CCO[C@@H](C)C3)c12 ZINC000566291623 974603110 /nfs/dbraw/zinc/60/31/10/974603110.db2.gz QNECBVYRRGSQLO-JOYOIKCWSA-N -1 0 349.456 3.623 20 0 EHADRM CCc1ccc([C@H]2CN(Cc3ccsc3C(=O)[O-])CCO2)cc1 ZINC000566361241 974609520 /nfs/dbraw/zinc/60/95/20/974609520.db2.gz FKQWGDMLDYQZQX-MRXNPFEDSA-N -1 0 331.437 3.582 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1C ZINC000107962928 1014213775 /nfs/dbraw/zinc/21/37/75/1014213775.db2.gz BEUUJHAXAXTIJX-LFVRLGFBSA-N -1 0 349.883 3.942 20 0 EHADRM CC(C)Nc1ccc(Cl)cc1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000570292253 974709093 /nfs/dbraw/zinc/70/90/93/974709093.db2.gz IMCGHYGWJUTOFJ-NWDGAFQWSA-N -1 0 338.835 3.990 20 0 EHADRM O=C([O-])c1cc(-c2cc(F)ccc2OC[C@H]2CCCO2)ccc1F ZINC000571821920 974736927 /nfs/dbraw/zinc/73/69/27/974736927.db2.gz XVEDQZQUYIIHPD-CYBMUJFWSA-N -1 0 334.318 3.888 20 0 EHADRM O=C([O-])[C@H](c1ccsc1)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000572413625 974747449 /nfs/dbraw/zinc/74/74/49/974747449.db2.gz MZOYDAGIGOEYQX-GJZGRUSLSA-N -1 0 337.828 3.601 20 0 EHADRM O=C([O-])c1ccc(Nc2cccc(-n3cncn3)c2)cc1C(F)(F)F ZINC001211487768 1014213573 /nfs/dbraw/zinc/21/35/73/1014213573.db2.gz NZNNFHWIIXLEMU-UHFFFAOYSA-N -1 0 348.284 3.728 20 0 EHADRM Cc1oc(CN(C)[C@H](C)c2nc(-c3ccccc3)no2)cc1C(=O)[O-] ZINC000574406661 974782505 /nfs/dbraw/zinc/78/25/05/974782505.db2.gz RNBPWZWUZQENKN-LLVKDONJSA-N -1 0 341.367 3.529 20 0 EHADRM O=C([O-])c1ccc(CN2CCO[C@@H](c3cccc(Cl)c3)C2)c(F)c1 ZINC000574922118 974792134 /nfs/dbraw/zinc/79/21/34/974792134.db2.gz FIVPFPDOHPWSPC-QGZVFWFLSA-N -1 0 349.789 3.751 20 0 EHADRM Cc1cc(N2CCSCC2)ccc1NC1CCC(C(=O)[O-])CC1 ZINC000575349313 974798213 /nfs/dbraw/zinc/79/82/13/974798213.db2.gz YOCREWNZFACRDK-UHFFFAOYSA-N -1 0 334.485 3.604 20 0 EHADRM CO[C@H](C)c1nc(CN2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)cs1 ZINC000576958498 974826571 /nfs/dbraw/zinc/82/65/71/974826571.db2.gz LJSPYXDACHJGRZ-KCXAZCMYSA-N -1 0 346.452 3.641 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000581022382 974903661 /nfs/dbraw/zinc/90/36/61/974903661.db2.gz UAQKVHXEYLVJNL-LBPRGKRZSA-N -1 0 339.382 3.737 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC000581255906 974908095 /nfs/dbraw/zinc/90/80/95/974908095.db2.gz QZCXRPUCUCUMSH-LLVKDONJSA-N -1 0 341.860 3.683 20 0 EHADRM Cc1cc(C(=O)N[C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)oc1C ZINC000582948059 974933614 /nfs/dbraw/zinc/93/36/14/974933614.db2.gz KJJXEVXDESXRRP-CYBMUJFWSA-N -1 0 341.285 3.628 20 0 EHADRM CC[C@@H]1CN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CCS1 ZINC000583147975 974936891 /nfs/dbraw/zinc/93/68/91/974936891.db2.gz VFGQYCOPWUKKFT-OLZOCXBDSA-N -1 0 334.268 3.947 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1cccc(OCc2ccc(F)cc2)c1 ZINC000583574638 974942972 /nfs/dbraw/zinc/94/29/72/974942972.db2.gz FKVVGDHCJBTEBD-CYBMUJFWSA-N -1 0 345.370 3.844 20 0 EHADRM Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)C[C@@H](C)CC(=O)[O-] ZINC000583703578 974944455 /nfs/dbraw/zinc/94/44/55/974944455.db2.gz BPZACQCFTPQXMH-CZUORRHYSA-N -1 0 345.464 3.957 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccoc2C2CC2)c(OC(F)F)c1 ZINC000621565502 975032262 /nfs/dbraw/zinc/03/22/62/975032262.db2.gz YOSFAMGDAGBFLE-UHFFFAOYSA-N -1 0 337.278 3.709 20 0 EHADRM O=C([O-])[C@H]1CCCCCN1C(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000621568591 975036340 /nfs/dbraw/zinc/03/63/40/975036340.db2.gz ZWEURXAJHWHKBD-GOSISDBHSA-N -1 0 336.391 3.791 20 0 EHADRM C[C@H](CC(=O)N1CCc2c(cccc2C(=O)[O-])C1)c1ccccc1F ZINC000621579591 975040490 /nfs/dbraw/zinc/04/04/90/975040490.db2.gz RLKIPHPXTKNCKC-CYBMUJFWSA-N -1 0 341.382 3.602 20 0 EHADRM C[C@H](C(=O)N1CCc2c(cccc2C(=O)[O-])C1)c1ccc(Cl)s1 ZINC000621579864 975040518 /nfs/dbraw/zinc/04/05/18/975040518.db2.gz BYGKRSRTROILOX-JTQLQIEISA-N -1 0 349.839 3.788 20 0 EHADRM Cc1c(F)cccc1C(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000621588647 975045962 /nfs/dbraw/zinc/04/59/62/975045962.db2.gz BCVMUFUCCLHFIR-IRXDYDNUSA-N -1 0 327.355 3.565 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC000621589346 975047538 /nfs/dbraw/zinc/04/75/38/975047538.db2.gz TYAXZPLAGDSSFG-BDXSIMOUSA-N -1 0 327.424 3.630 20 0 EHADRM CC[C@H](C)[C@H](C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC000621608266 975057108 /nfs/dbraw/zinc/05/71/08/975057108.db2.gz NTNAUCLNMLOOQM-ZOWXZIJZSA-N -1 0 346.452 3.848 20 0 EHADRM C[C@H](NC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1)c1ncc(C(=O)[O-])s1 ZINC000621610639 975059216 /nfs/dbraw/zinc/05/92/16/975059216.db2.gz NAJGVEWUTGHLCW-GRYCIOLGSA-N -1 0 338.473 3.871 20 0 EHADRM O=C([O-])[C@]12CN(C(=O)c3csc4ccccc34)C[C@H]1CCCC2 ZINC000621613969 975062390 /nfs/dbraw/zinc/06/23/90/975062390.db2.gz UHFRAQNXOIKJBF-KZULUSFZSA-N -1 0 329.421 3.618 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)cc1 ZINC000630098272 975099968 /nfs/dbraw/zinc/09/99/68/975099968.db2.gz QLYDCSIKNSOGJS-COXVUDFISA-N -1 0 333.428 3.544 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)c1ccc(Oc2ccccc2)cc1C ZINC000630125115 975111568 /nfs/dbraw/zinc/11/15/68/975111568.db2.gz QSYFEWSFWIXHNI-UHFFFAOYSA-N -1 0 327.380 3.724 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)C1(c2ccc(Cl)cc2Cl)CCCC1 ZINC000630133858 975118630 /nfs/dbraw/zinc/11/86/30/975118630.db2.gz XVHVTPQQFCZOSH-JTQLQIEISA-N -1 0 344.238 3.785 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2[C@@H]3c4ccc(Cl)cc4C[C@H]23)cc1C(=O)[O-] ZINC000630139984 975123865 /nfs/dbraw/zinc/12/38/65/975123865.db2.gz HXVZVIRBFMXRRV-GVDBMIGSSA-N -1 0 341.794 3.871 20 0 EHADRM CCC[C@H](C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1ccccn1 ZINC000630141473 975125215 /nfs/dbraw/zinc/12/52/15/975125215.db2.gz GJVUMTJTFLJEFF-INIZCTEOSA-N -1 0 340.423 3.966 20 0 EHADRM Cc1cc(C(=O)N2C[C@H](C)C[C@H]2c2ccccc2F)oc1C(=O)[O-] ZINC000630170061 975141147 /nfs/dbraw/zinc/14/11/47/975141147.db2.gz IDWXTCNVTPWMON-YGRLFVJLSA-N -1 0 331.343 3.649 20 0 EHADRM Cc1cc(C(F)F)oc1C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC000630177303 975144024 /nfs/dbraw/zinc/14/40/24/975144024.db2.gz FGUNNQPECZORKN-NSHDSACASA-N -1 0 329.343 3.679 20 0 EHADRM CCOc1ccccc1[C@@H](CC)NC(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000630179769 975145412 /nfs/dbraw/zinc/14/54/12/975145412.db2.gz PODZEZBYTZOFSR-CYBMUJFWSA-N -1 0 331.368 3.566 20 0 EHADRM COc1cc(NC(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)ccc1C(=O)[O-] ZINC000630184360 975146253 /nfs/dbraw/zinc/14/62/53/975146253.db2.gz LVWHEVPFMHVVRE-HUUCEWRRSA-N -1 0 343.354 3.665 20 0 EHADRM Cc1ccc(C)c(S([O-])=CC(=O)N2CCC[C@H]3CCCC[C@@H]32)c1 ZINC000107966746 1014239059 /nfs/dbraw/zinc/23/90/59/1014239059.db2.gz ZXAXFNMHEISFGO-SAHWJRBASA-N -1 0 333.497 3.592 20 0 EHADRM O=C([O-])c1ccc([C@H](NC(=O)[C@@H]2CCCC23CC3)C(F)(F)F)cc1 ZINC000630191125 975150601 /nfs/dbraw/zinc/15/06/01/975150601.db2.gz QMTALLXYWHRFRQ-STQMWFEESA-N -1 0 341.329 3.685 20 0 EHADRM CCOc1cccc(CCC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c1 ZINC000630194326 975152639 /nfs/dbraw/zinc/15/26/39/975152639.db2.gz NBHHHRHHQGMBPN-AWEZNQCLSA-N -1 0 341.407 3.845 20 0 EHADRM O=C([O-])c1ccc(F)c2c1CN(C(=O)C(C1CCC1)C1CCC1)CC2 ZINC000630242935 975188358 /nfs/dbraw/zinc/18/83/58/975188358.db2.gz UYMHIQCOCAYKDR-UHFFFAOYSA-N -1 0 345.414 3.625 20 0 EHADRM O=C([O-])c1cnc(C2CCN(C(=O)[C@H]3CCCC4(CC4)C3)CC2)s1 ZINC000630245767 975191957 /nfs/dbraw/zinc/19/19/57/975191957.db2.gz VXLGVHWZTQCIPD-ZDUSSCGKSA-N -1 0 348.468 3.518 20 0 EHADRM C[C@@H](Oc1ccc(NC(=O)C(C2CCC2)C2CCC2)cc1F)C(=O)[O-] ZINC000630260544 975204148 /nfs/dbraw/zinc/20/41/48/975204148.db2.gz KESWQFGPEXUTNG-LLVKDONJSA-N -1 0 349.402 3.833 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC000630260587 975204864 /nfs/dbraw/zinc/20/48/64/975204864.db2.gz LBFBODYSGHJINW-NSHDSACASA-N -1 0 349.358 3.955 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)c1 ZINC000630265422 975208696 /nfs/dbraw/zinc/20/86/96/975208696.db2.gz OIFPDIJPONVXLM-KBXCAEBGSA-N -1 0 347.455 3.586 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC000630281150 975226198 /nfs/dbraw/zinc/22/61/98/975226198.db2.gz BGQKFBLAQHVILV-JJAZEVLHSA-N -1 0 349.858 3.620 20 0 EHADRM C[C@H](CCC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000630286069 975230157 /nfs/dbraw/zinc/23/01/57/975230157.db2.gz PQOUZNLYURIRFA-BGTYHANMSA-N -1 0 329.440 3.672 20 0 EHADRM Cc1ccc(C)c(S([O-])=CC(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000107967170 1014245178 /nfs/dbraw/zinc/24/51/78/1014245178.db2.gz GDCFCRDWWJRNDN-UUOWRZLLSA-N -1 0 341.476 3.605 20 0 EHADRM CC(C)c1ccc([C@H]2CCCN2C(=O)c2cc(C(=O)[O-])ccn2)cc1 ZINC000630298373 975237771 /nfs/dbraw/zinc/23/77/71/975237771.db2.gz LWXMOZLTLLWDEU-GOSISDBHSA-N -1 0 338.407 3.881 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)Nc1c(C)nn(CCC(=O)[O-])c1C ZINC000630333077 975261582 /nfs/dbraw/zinc/26/15/82/975261582.db2.gz RWACQVHFJXZLON-MRXNPFEDSA-N -1 0 349.475 3.910 20 0 EHADRM Cc1ccc(-c2nc(C[N@H+]3CC[C@@H](C)[C@H](C(=O)[O-])C3)cs2)cc1 ZINC000579711670 1014247811 /nfs/dbraw/zinc/24/78/11/1014247811.db2.gz HMDJYJGLGZKUME-CZUORRHYSA-N -1 0 330.453 3.661 20 0 EHADRM CCOc1ccc(CNc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)cc1OC ZINC000630466598 975266167 /nfs/dbraw/zinc/26/61/67/975266167.db2.gz FBRWBXBWMQHHHA-DLBZAZTESA-N -1 0 341.407 3.894 20 0 EHADRM Cc1ncc([C@@H](C)Nc2nc(C)nc3sc(C(=O)[O-])c(C)c32)s1 ZINC000630463115 975266335 /nfs/dbraw/zinc/26/63/35/975266335.db2.gz XSDUELANMRDYBA-SSDOTTSWSA-N -1 0 348.453 3.944 20 0 EHADRM Cc1oc2ccc(NC(=O)N3CC[C@@H](C(=O)[O-])[C@@H](C)C3)cc2c1C ZINC000630566785 975267731 /nfs/dbraw/zinc/26/77/31/975267731.db2.gz ALZFRWQXMAXMLG-IINYFYTJSA-N -1 0 330.384 3.624 20 0 EHADRM Cc1cc(F)c(C(F)(F)F)cc1NC(=O)NC1(CC(=O)[O-])CCC1 ZINC000630569492 975268362 /nfs/dbraw/zinc/26/83/62/975268362.db2.gz OQBWARRLKMXLSJ-UHFFFAOYSA-N -1 0 348.296 3.672 20 0 EHADRM CCCC[C@H](C(=O)[O-])[N@@H+]1CCc2cc(C)cc(Br)c2C1 ZINC000634692695 975273436 /nfs/dbraw/zinc/27/34/36/975273436.db2.gz GSFSYYRHWXBJJF-OAHLLOKOSA-N -1 0 340.261 3.759 20 0 EHADRM COc1cc(NC(=O)C2CC(c3ccc(F)cc3)C2)ccc1C(=O)[O-] ZINC000634804699 975276568 /nfs/dbraw/zinc/27/65/68/975276568.db2.gz PVEIERQHZGYUKA-UHFFFAOYSA-N -1 0 343.354 3.665 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000634831955 975278169 /nfs/dbraw/zinc/27/81/69/975278169.db2.gz OBNHNJYNGHVTRY-JTQLQIEISA-N -1 0 331.334 3.966 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CCC(=O)N[C@H](CC(=O)[O-])c2cccs2)o1 ZINC000642214723 975291783 /nfs/dbraw/zinc/29/17/83/975291783.db2.gz NSOHGHFHTRAXHC-MRVWCRGKSA-N -1 0 347.436 3.729 20 0 EHADRM Cc1ccc(C2CC2)c(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000644874963 975327873 /nfs/dbraw/zinc/32/78/73/975327873.db2.gz WFGYPVWNLAOGCY-OAHLLOKOSA-N -1 0 329.440 3.835 20 0 EHADRM CC[C@H](CSc1ccccc1)NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000647164455 975357785 /nfs/dbraw/zinc/35/77/85/975357785.db2.gz WGRLBSCREGBFRS-RRFJBIMHSA-N -1 0 335.469 3.565 20 0 EHADRM O=C([O-])c1ccc(N[C@H]2CCCc3cn(C4CCCC4)nc32)nc1 ZINC000647452961 975363939 /nfs/dbraw/zinc/36/39/39/975363939.db2.gz RRJOIKICMOMQIV-HNNXBMFYSA-N -1 0 326.400 3.581 20 0 EHADRM O=C([O-])c1ccc(N2CCC([C@@H](F)c3ccccc3F)CC2)nc1 ZINC000647454953 975364984 /nfs/dbraw/zinc/36/49/84/975364984.db2.gz GRLBRJYNHCELMI-QGZVFWFLSA-N -1 0 332.350 3.846 20 0 EHADRM CC(C)(C)OC1CC(CCNc2ncc(C(=O)[O-])cc2Cl)C1 ZINC000647453941 975365045 /nfs/dbraw/zinc/36/50/45/975365045.db2.gz ZVNGWYJSGGQTEX-UHFFFAOYSA-N -1 0 326.824 3.829 20 0 EHADRM C[C@@H](NCc1cccc(OC(F)(F)F)c1)c1ncc(C(=O)[O-])s1 ZINC000647650074 975372970 /nfs/dbraw/zinc/37/29/70/975372970.db2.gz HPATVCJEYVNZHV-MRVPVSSYSA-N -1 0 346.330 3.591 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)N2CCc3cccc(C(=O)[O-])c3C2)CC1 ZINC000649259174 975402025 /nfs/dbraw/zinc/40/20/25/975402025.db2.gz SUDFORHVJRVPDJ-KOMQPUFPSA-N -1 0 329.440 3.732 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(c2nccc(Oc3ccccc3)n2)C1 ZINC000649405916 975418185 /nfs/dbraw/zinc/41/81/85/975418185.db2.gz UMJUEPRUJCPNGW-CQSZACIVSA-N -1 0 341.411 3.596 20 0 EHADRM CC(C)Nc1nnc(S[C@H](C(=O)[O-])c2ccccc2Cl)s1 ZINC001591672088 975432700 /nfs/dbraw/zinc/43/27/00/975432700.db2.gz LMGQRMIXKFIMCA-JTQLQIEISA-N -1 0 343.861 3.930 20 0 EHADRM Cc1nc(-c2cccc(C(=O)N[C@H](CC(C)(C)C)C(=O)[O-])c2)cs1 ZINC000652076302 975472432 /nfs/dbraw/zinc/47/24/32/975472432.db2.gz ZREXZXZUAQXTRH-CQSZACIVSA-N -1 0 346.452 3.738 20 0 EHADRM CC(C)O[C@@H](CN1CCc2ccc(C(=O)[O-])cc21)c1ccccc1 ZINC001591686598 975496583 /nfs/dbraw/zinc/49/65/83/975496583.db2.gz PXYDYLPOBJPJTF-IBGZPJMESA-N -1 0 325.408 3.914 20 0 EHADRM CC(C)OC1(CNC(=O)Nc2ccc(C(=O)[O-])cc2)CCCCC1 ZINC001591693512 975512296 /nfs/dbraw/zinc/51/22/96/975512296.db2.gz YFKRZVRCCNNXNO-UHFFFAOYSA-N -1 0 334.416 3.634 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2cc3c(s2)CCCCCC3)C[C@H]1C1CC1 ZINC000652130504 975514732 /nfs/dbraw/zinc/51/47/32/975514732.db2.gz PZSVQEAHQLTHFH-LSDHHAIUSA-N -1 0 347.480 3.590 20 0 EHADRM COc1ccc(CN(C)Cc2cc(C(=O)[O-])ccc2Cl)cc1OC ZINC000652373245 975515598 /nfs/dbraw/zinc/51/55/98/975515598.db2.gz GNGRUWFSYIRNSC-UHFFFAOYSA-N -1 0 349.814 3.687 20 0 EHADRM CC(C)OC1CC(Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)C1 ZINC001591695505 975521967 /nfs/dbraw/zinc/52/19/67/975521967.db2.gz ISIYUWUUTLQQSO-UHFFFAOYSA-N -1 0 332.444 3.743 20 0 EHADRM CCN(Cc1ccoc1)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000652408283 975524837 /nfs/dbraw/zinc/52/48/37/975524837.db2.gz UFSKJLLBEAJFHD-CQSZACIVSA-N -1 0 338.201 3.690 20 0 EHADRM Cc1cccc(C2(C(=O)N[C@H]3C[C@@H](C(=O)[O-])c4ccccc43)CCC2)c1 ZINC000653334597 975591099 /nfs/dbraw/zinc/59/10/99/975591099.db2.gz CERGYFUQTUFKJZ-MOPGFXCFSA-N -1 0 349.430 3.846 20 0 EHADRM CC(C)Oc1cccc([C@H](C)NC(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC000653637858 975601221 /nfs/dbraw/zinc/60/12/21/975601221.db2.gz FIXVKQHLVANUJJ-AWEZNQCLSA-N -1 0 341.407 3.592 20 0 EHADRM CCC[C@@H](CCc1ccccc1)NC(=O)c1cccc(CC(=O)[O-])c1 ZINC000653641386 975607304 /nfs/dbraw/zinc/60/73/04/975607304.db2.gz BIGIPEJTXRKHOD-IBGZPJMESA-N -1 0 339.435 3.845 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C[C@H]2OCc3ccccc32)cc1 ZINC000656235277 975650702 /nfs/dbraw/zinc/65/07/02/975650702.db2.gz FMEANVGJGBLWBD-QGZVFWFLSA-N -1 0 339.391 3.649 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)NCCc1ccc(-c2ccccc2)cc1 ZINC000656238944 975653416 /nfs/dbraw/zinc/65/34/16/975653416.db2.gz NWPVPNFINUBTRN-OAHLLOKOSA-N -1 0 325.408 3.513 20 0 EHADRM C[C@@H](NC(=O)CCC(=O)[O-])c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000656487805 975660751 /nfs/dbraw/zinc/66/07/51/975660751.db2.gz ZORAPDXMYAEPRA-CABCVRRESA-N -1 0 341.407 3.869 20 0 EHADRM O=C([O-])[C@H](c1cccnc1)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000656759220 975686402 /nfs/dbraw/zinc/68/64/02/975686402.db2.gz YFEQEAIIRHSIPC-HNNXBMFYSA-N -1 0 337.206 3.572 20 0 EHADRM CC(C)OCc1cc(NC(=O)Nc2cccc(C(=O)[O-])c2)ccc1O ZINC001591731092 975706183 /nfs/dbraw/zinc/70/61/83/975706183.db2.gz NBWHCWUIOIICMQ-UHFFFAOYSA-N -1 0 344.367 3.659 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)C2CC3(C2)CCCCC3)cc1 ZINC000659117373 975713077 /nfs/dbraw/zinc/71/30/77/975713077.db2.gz BYSHCYNGZMEJPN-KRWDZBQOSA-N -1 0 345.439 3.688 20 0 EHADRM O=C([O-])C1(C(=O)N[C@H]2CCSc3c(F)cccc32)CC2(CCC2)C1 ZINC000659118497 975714876 /nfs/dbraw/zinc/71/48/76/975714876.db2.gz HQBUWOSNFCHRIM-ZDUSSCGKSA-N -1 0 349.427 3.514 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000659120812 975718934 /nfs/dbraw/zinc/71/89/34/975718934.db2.gz BXEWSRAKUUIOHA-AWEZNQCLSA-N -1 0 333.771 3.917 20 0 EHADRM CC(C)OCc1ccc(NC(=O)NCC2(CC(=O)[O-])CCCC2)cc1 ZINC001591735270 975722932 /nfs/dbraw/zinc/72/29/32/975722932.db2.gz PKCLRFFSJQWEQN-UHFFFAOYSA-N -1 0 348.443 3.768 20 0 EHADRM CC(C)OCc1ccc(NC(=O)c2ccc(/C=C\C(=O)[O-])o2)cc1 ZINC001591735878 975728990 /nfs/dbraw/zinc/72/89/90/975728990.db2.gz XTMIPPYHLHLDES-NTMALXAHSA-N -1 0 329.352 3.555 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)[C@@H]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000659138342 975738038 /nfs/dbraw/zinc/73/80/38/975738038.db2.gz VQFFRGLQHUFUFO-IEBWSBKVSA-N -1 0 337.419 3.911 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]2Cc2ccccc2)C1 ZINC000659142399 975741724 /nfs/dbraw/zinc/74/17/24/975741724.db2.gz OHLXRJYCTSILJB-OTWHNJEPSA-N -1 0 343.467 3.749 20 0 EHADRM CCC[C@H]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000659150083 975751876 /nfs/dbraw/zinc/75/18/76/975751876.db2.gz SELXYOFCZUYOLK-XOYOTBSWSA-N -1 0 329.440 3.530 20 0 EHADRM CC[C@@](CNC(=O)C(C)(C)CC(F)(F)F)(C(=O)[O-])c1ccccc1 ZINC000659158798 975757783 /nfs/dbraw/zinc/75/77/83/975757783.db2.gz MOPJNMWEZBNDDK-INIZCTEOSA-N -1 0 345.361 3.514 20 0 EHADRM CC(C)Oc1c(NC(=O)N2C[C@H](C)[C@H](C)[C@@H]2C)cccc1C(=O)[O-] ZINC001591742023 975759488 /nfs/dbraw/zinc/75/94/88/975759488.db2.gz SRRZSCFCQCMFBA-AVGNSLFASA-N -1 0 334.416 3.680 20 0 EHADRM CCc1cc(C(=O)N2CC3CC2(C(=O)[O-])C3)sc1-c1ccccc1 ZINC000659181073 975775755 /nfs/dbraw/zinc/77/57/55/975775755.db2.gz ZPIOOONABYWZNX-UHFFFAOYSA-N -1 0 341.432 3.667 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCCc2ccc(F)cc2)[C@@H]2CCCC[C@H]12 ZINC000659189961 975785262 /nfs/dbraw/zinc/78/52/62/975785262.db2.gz ILMLJXHLFHZEEZ-KZNAEPCWSA-N -1 0 347.430 3.640 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000659192196 975790562 /nfs/dbraw/zinc/79/05/62/975790562.db2.gz MJXAONFVQISOHI-YCPHGPKFSA-N -1 0 335.831 3.754 20 0 EHADRM C[C@H](CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21)c1ccccc1F ZINC000659195613 975798298 /nfs/dbraw/zinc/79/82/98/975798298.db2.gz QAGQFPCTDJQZTR-VKZRIFJHSA-N -1 0 347.430 3.811 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)NCc1ccc(C(=O)[O-])cc1F ZINC000659226174 975838898 /nfs/dbraw/zinc/83/88/98/975838898.db2.gz WNOIOYASFACIQB-GFCCVEGCSA-N -1 0 347.361 3.548 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@H](F)c1ccccc1 ZINC001591761421 975850035 /nfs/dbraw/zinc/85/00/35/975850035.db2.gz KTSXJSPPRLLHRE-MRXNPFEDSA-N -1 0 331.343 3.821 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NC(C)(C)/C=C\Cl ZINC001591767901 975884860 /nfs/dbraw/zinc/88/48/60/975884860.db2.gz UPSDTFSTPXUQSD-FPLPWBNLSA-N -1 0 340.807 3.825 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NCc1ccsc1 ZINC001591769596 975893045 /nfs/dbraw/zinc/89/30/45/975893045.db2.gz QHZAEXNMOFHWFX-UHFFFAOYSA-N -1 0 334.397 3.555 20 0 EHADRM C[C@@H](C(=O)N1CCC[C@@]1(C)C(=O)[O-])c1c(Cl)cccc1Cl ZINC000666364269 975960073 /nfs/dbraw/zinc/96/00/73/975960073.db2.gz ILVCUPKHJYKYSN-PSLIRLAXSA-N -1 0 330.211 3.563 20 0 EHADRM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCCCC(=O)[O-] ZINC000666558525 975972021 /nfs/dbraw/zinc/97/20/21/975972021.db2.gz QEUBZCMYVHJBSS-IAGOWNOFSA-N -1 0 332.444 3.609 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)c1ccsc1Cl)C(=O)[O-] ZINC000668268745 975978392 /nfs/dbraw/zinc/97/83/92/975978392.db2.gz ZUHBWKZSVUWWTE-LLVKDONJSA-N -1 0 337.828 3.765 20 0 EHADRM CC(C)Oc1cccc([C@@H](C)NC(=O)c2ccsc2CC(=O)[O-])c1 ZINC001591791950 975991683 /nfs/dbraw/zinc/99/16/83/975991683.db2.gz UJWZMTGEFOSFMI-GFCCVEGCSA-N -1 0 347.436 3.653 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H](c3ccc(F)cc3)CC2)C1 ZINC000668314324 975993364 /nfs/dbraw/zinc/99/33/64/975993364.db2.gz MMNDAHNUECBQBE-HYVNUMGLSA-N -1 0 347.430 3.813 20 0 EHADRM CC(C)Oc1ccccc1C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001591795702 976000863 /nfs/dbraw/zinc/00/08/63/976000863.db2.gz FAZQOFGQYDZYOX-UHFFFAOYSA-N -1 0 335.306 3.703 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)C[C@@H]2CCc3ccccc3C2)c2ccccc21 ZINC000669436000 976004454 /nfs/dbraw/zinc/00/44/54/976004454.db2.gz WKTWTJIHQRIPOJ-BEFAXECRSA-N -1 0 349.430 3.787 20 0 EHADRM CC(C)Oc1cccc(NC(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC001591796657 976010765 /nfs/dbraw/zinc/01/07/65/976010765.db2.gz OKAYXBJYAHHCDR-UHFFFAOYSA-N -1 0 332.331 3.955 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(OC2CCCC2)cc1 ZINC000678987516 976035627 /nfs/dbraw/zinc/03/56/27/976035627.db2.gz CPASRVXZOZKWAA-UHFFFAOYSA-N -1 0 333.428 3.771 20 0 EHADRM COc1cccc2cc(C(=O)N[C@H]3CCCCCC[C@@H]3C(=O)[O-])oc21 ZINC000678989608 976036470 /nfs/dbraw/zinc/03/64/70/976036470.db2.gz FDNYRNZAXJGYOV-KBPBESRZSA-N -1 0 345.395 3.595 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2cc3cccc(F)c3o2)CCCCC1 ZINC000679098641 976041947 /nfs/dbraw/zinc/04/19/47/976041947.db2.gz YGSJHQDEJVSQLZ-UHFFFAOYSA-N -1 0 333.359 3.727 20 0 EHADRM O=C([O-])[C@H](NCc1cccc(Cl)c1F)c1cc(F)ccc1F ZINC000683172669 976078302 /nfs/dbraw/zinc/07/83/02/976078302.db2.gz FWTLKCIMVQCPJZ-CQSZACIVSA-N -1 0 329.705 3.673 20 0 EHADRM Cc1cc(C)c(CC(=O)N[C@H](CC(=O)[O-])c2cccs2)c(C)c1 ZINC000683298580 976082303 /nfs/dbraw/zinc/08/23/03/976082303.db2.gz FGHZQJJZFRXJOE-OAHLLOKOSA-N -1 0 331.437 3.548 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(NC3CCCCC3)cc2)cn1 ZINC000683302039 976083882 /nfs/dbraw/zinc/08/38/82/976083882.db2.gz JQZRBKDAWWYJOE-UHFFFAOYSA-N -1 0 339.395 3.777 20 0 EHADRM O=C([O-])C1(CNC(=O)CCCc2ccc3ccccc3c2)CCCC1 ZINC000683315973 976086061 /nfs/dbraw/zinc/08/60/61/976086061.db2.gz IIAWCQRMXSUMAS-UHFFFAOYSA-N -1 0 339.435 3.924 20 0 EHADRM C[C@@]1(NC(=O)c2cc3cc(Cl)ccc3[nH]2)CCCC[C@@H]1C(=O)[O-] ZINC000683332736 976089770 /nfs/dbraw/zinc/08/97/70/976089770.db2.gz LAXQQUOETVXRJK-SJKOYZFVSA-N -1 0 334.803 3.585 20 0 EHADRM CC(C)Sc1ccc([C@H](C)NC(=O)N[C@@H]2CC=C(C(=O)[O-])C2)cc1 ZINC001591829648 976094115 /nfs/dbraw/zinc/09/41/15/976094115.db2.gz VMYNQHCZGNRWLP-SWLSCSKDSA-N -1 0 348.468 3.721 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC001591907316 976310410 /nfs/dbraw/zinc/31/04/10/976310410.db2.gz LTHIVWFIZMICSI-FRFSOERESA-N -1 0 335.419 3.573 20 0 EHADRM CC(C)c1[nH]c(CN[C@H](c2nccs2)C(F)(F)F)cc1C(=O)[O-] ZINC001591917223 976375795 /nfs/dbraw/zinc/37/57/95/976375795.db2.gz YPWUIZYEPPPSDG-LLVKDONJSA-N -1 0 347.362 3.686 20 0 EHADRM CC(C)c1[nH]ccc1C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001591918885 976386793 /nfs/dbraw/zinc/38/67/93/976386793.db2.gz ZIPKNGLXEHWGRH-MRXNPFEDSA-N -1 0 328.412 3.720 20 0 EHADRM CC(C)c1c(NCc2ncc(C(=O)[O-])s2)cnn1-c1ccccc1 ZINC001591923478 976400420 /nfs/dbraw/zinc/40/04/20/976400420.db2.gz QKLFDNDMBBFBOW-UHFFFAOYSA-N -1 0 342.424 3.763 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(O)cc2)cc1Cl ZINC001591941880 976463696 /nfs/dbraw/zinc/46/36/96/976463696.db2.gz HYUBKFFXJVOKCE-INIZCTEOSA-N -1 0 347.798 3.725 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)NCc2ccnc(C(=O)[O-])c2)cc1 ZINC001591947710 976493685 /nfs/dbraw/zinc/49/36/85/976493685.db2.gz RITBNMXFRLHZGH-CQSZACIVSA-N -1 0 340.423 3.713 20 0 EHADRM CC(C)c1ccc([C@@H](NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(C)C)cc1 ZINC001591948858 976503332 /nfs/dbraw/zinc/50/33/32/976503332.db2.gz MGFNVEOPMWNPLK-ULQDDVLXSA-N -1 0 332.444 3.670 20 0 EHADRM CC(C)c1ccc(C2(C(=O)N[C@H](CCF)C(=O)[O-])CCCCC2)cc1 ZINC001591949560 976506625 /nfs/dbraw/zinc/50/66/25/976506625.db2.gz WQGGEVKZKCUHBB-QGZVFWFLSA-N -1 0 349.446 3.941 20 0 EHADRM CC(C)c1ccc(NC(=O)[C@@H]2c3c[nH]nc3CC[C@@H]2C)c(C(=O)[O-])c1 ZINC001591962783 976550381 /nfs/dbraw/zinc/55/03/81/976550381.db2.gz QYJGQPWDFNGTMD-GTNSWQLSSA-N -1 0 341.411 3.536 20 0 EHADRM CC(C)c1ccc(OCCC(=O)O[C@@H](C)c2nc(C(=O)[O-])co2)cc1 ZINC001591972096 976569195 /nfs/dbraw/zinc/56/91/95/976569195.db2.gz CWVVHWZMKKUVJN-LBPRGKRZSA-N -1 0 347.367 3.570 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)Cc1cccc(C(=O)[O-])c1)CC2 ZINC001591973498 976576239 /nfs/dbraw/zinc/57/62/39/976576239.db2.gz BUAFZEYOZHSSJD-IBGZPJMESA-N -1 0 337.419 3.854 20 0 EHADRM CC(C)c1ccc(SCC(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1 ZINC001591974557 976591658 /nfs/dbraw/zinc/59/16/58/976591658.db2.gz XXZKTJOLPRRSAI-UHFFFAOYSA-N -1 0 332.425 3.578 20 0 EHADRM CC(C)c1cccc(C(C)C)c1NC(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC001591986469 976608311 /nfs/dbraw/zinc/60/83/11/976608311.db2.gz FQOZOMPWIRYMMU-IBGZPJMESA-N -1 0 348.443 3.689 20 0 EHADRM CC(C)c1cccc(CNC(=O)c2ccccc2CCC(=O)[O-])c1 ZINC001591987364 976612177 /nfs/dbraw/zinc/61/21/77/976612177.db2.gz OPZFZZUWWRYRJX-UHFFFAOYSA-N -1 0 325.408 3.757 20 0 EHADRM CC(C)c1cccc(NC(=O)N[C@@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC001591992014 976621250 /nfs/dbraw/zinc/62/12/50/976621250.db2.gz ONJUJMWNGZPOQR-JTQLQIEISA-N -1 0 333.413 3.847 20 0 EHADRM CC(C)c1nc(NCCc2ncc(C(=O)[O-])s2)cc(C(C)(C)C)n1 ZINC001592030238 976733797 /nfs/dbraw/zinc/73/37/97/976733797.db2.gz FRBNTHOFGPOVNG-UHFFFAOYSA-N -1 0 348.472 3.707 20 0 EHADRM CC(C)c1nnsc1C(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001592093508 976843558 /nfs/dbraw/zinc/84/35/58/976843558.db2.gz BGVZDLRNNCNRID-ZDUSSCGKSA-N -1 0 346.408 3.594 20 0 EHADRM CC(C)c1sc(NC(=O)c2nsc3ccccc32)nc1C(=O)[O-] ZINC001592115015 976912356 /nfs/dbraw/zinc/91/23/56/976912356.db2.gz QXJSLGIQBWCWPV-UHFFFAOYSA-N -1 0 347.421 3.827 20 0 EHADRM O=S(=O)([N-]c1nc(C2CC2)cs1)c1cc(F)cc(Cl)c1 ZINC000339413431 1014376060 /nfs/dbraw/zinc/37/60/60/1014376060.db2.gz NIZYOVQXXZWGRA-UHFFFAOYSA-N -1 0 332.809 3.614 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1)c1cccc(F)c1 ZINC001592258383 977495817 /nfs/dbraw/zinc/49/58/17/977495817.db2.gz DPSSXQRRYFTAAG-KBXCAEBGSA-N -1 0 343.398 3.522 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1)C1CCCCC1 ZINC001592258837 977497453 /nfs/dbraw/zinc/49/74/53/977497453.db2.gz JWPOFZAVUUAGHA-MAUKXSAKSA-N -1 0 331.456 3.795 20 0 EHADRM C[C@H](CC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)C(F)(F)F ZINC001592262094 977505862 /nfs/dbraw/zinc/50/58/62/977505862.db2.gz OGWKWSNNVYAERR-RXMQYKEDSA-N -1 0 327.661 3.704 20 0 EHADRM C[C@@H](CC(=O)Nc1cc(C(=O)[O-])cc(Cl)c1Cl)[C@H]1CCCO1 ZINC001592262476 977508270 /nfs/dbraw/zinc/50/82/70/977508270.db2.gz VEYTZQHCACCAGT-QPUJVOFHSA-N -1 0 346.210 3.835 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)Nc1ccc(-c2nccs2)cc1)C1CC1 ZINC001592289924 977609435 /nfs/dbraw/zinc/60/94/35/977609435.db2.gz KLRKSYHEYMCEHF-QGZVFWFLSA-N -1 0 345.424 3.575 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)Nc1ccccc1Nc1ccc(F)cc1F ZINC001592361830 977851451 /nfs/dbraw/zinc/85/14/51/977851451.db2.gz FITVJKHAEJPKSC-SNVBAGLBSA-N -1 0 334.322 3.758 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCc2cc(-c3cccc(F)c3)ccc21 ZINC001592375948 977914923 /nfs/dbraw/zinc/91/49/23/977914923.db2.gz XXMYOSQWMRWTBO-CYBMUJFWSA-N -1 0 341.382 3.883 20 0 EHADRM C[C@@H](CC(C)(C)CC(=O)[O-])Nc1ccc([C@H](O)C(F)(F)F)cc1 ZINC001592446112 978122410 /nfs/dbraw/zinc/12/24/10/978122410.db2.gz STYIHANRULPLEV-HZMBPMFUSA-N -1 0 333.350 3.974 20 0 EHADRM C[C@@H](CC(F)(F)F)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001592454499 978165209 /nfs/dbraw/zinc/16/52/09/978165209.db2.gz QAFGHDONRNZSKQ-VIFPVBQESA-N -1 0 335.347 3.531 20 0 EHADRM C[C@@H](CC1CCC1)NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001592460644 978184482 /nfs/dbraw/zinc/18/44/82/978184482.db2.gz XFKRTUPSZPEWOM-XJKSGUPXSA-N -1 0 332.444 3.716 20 0 EHADRM C[C@@H](CCC(C)(C)C)C(=O)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001592478192 978249727 /nfs/dbraw/zinc/24/97/27/978249727.db2.gz QHLGIAIASVBPNR-ZDUSSCGKSA-N -1 0 333.428 3.568 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N(CCC(F)(F)F)CC(=O)[O-] ZINC001592491834 978284572 /nfs/dbraw/zinc/28/45/72/978284572.db2.gz NTMPAGRFWKMPAS-CYBMUJFWSA-N -1 0 345.361 3.511 20 0 EHADRM C[C@@H](CCCc1cccnc1)NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001592492757 978289273 /nfs/dbraw/zinc/28/92/73/978289273.db2.gz ZKRCWRZDRSUIMA-LBPRGKRZSA-N -1 0 346.814 3.574 20 0 EHADRM CC(C)c1ccc2c(c1)CCCN2C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000736520264 978339981 /nfs/dbraw/zinc/33/99/81/978339981.db2.gz BFGYBHXZOTYLDM-DLBZAZTESA-N -1 0 329.440 3.980 20 0 EHADRM CC(C)c1ccc2c(c1)CCCN2C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000736520270 978340192 /nfs/dbraw/zinc/34/01/92/978340192.db2.gz BFGYBHXZOTYLDM-SJORKVTESA-N -1 0 329.440 3.980 20 0 EHADRM C[C@@H](CCNC(=O)N1CCc2cc(C(=O)[O-])ccc2C1)CC(C)(C)C ZINC001592514100 978354616 /nfs/dbraw/zinc/35/46/16/978354616.db2.gz WYTBNAZDSLUTNM-AWEZNQCLSA-N -1 0 346.471 3.915 20 0 EHADRM CCN(C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)c1ccccc1C(=O)[O-] ZINC000737051694 978377375 /nfs/dbraw/zinc/37/73/75/978377375.db2.gz BBAJWPGDLYWQKZ-DZGCQCFKSA-N -1 0 345.345 3.820 20 0 EHADRM C[C@@H](CCOc1ccccc1)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001592538705 978416024 /nfs/dbraw/zinc/41/60/24/978416024.db2.gz WESVSMVEDJNYJW-NSHDSACASA-N -1 0 349.333 3.707 20 0 EHADRM Cc1cc(C)cc([C@@H](C)NC(=O)Nc2ccc(CC(=O)[O-])cc2)c1 ZINC000738363089 978523706 /nfs/dbraw/zinc/52/37/06/978523706.db2.gz BVUVVJFVSHKMJI-CQSZACIVSA-N -1 0 326.396 3.813 20 0 EHADRM Cc1nc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)sc1-c1ccccc1 ZINC000738864604 978605822 /nfs/dbraw/zinc/60/58/22/978605822.db2.gz OADLBEFRFLWLHB-KGLIPLIRSA-N -1 0 344.436 3.948 20 0 EHADRM CC(C)(C)CC(C)(C)NC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000746327340 978680846 /nfs/dbraw/zinc/68/08/46/978680846.db2.gz ZOWMUMDCPBAWQJ-UHFFFAOYSA-N -1 0 330.428 3.671 20 0 EHADRM Cc1oc(-c2cccs2)nc1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000746361511 978683986 /nfs/dbraw/zinc/68/39/86/978683986.db2.gz JNJUVCADXQGSTP-UHFFFAOYSA-N -1 0 342.376 3.591 20 0 EHADRM O=C([O-])[C@@H](NCc1ccc(SC(F)F)cc1)c1cccs1 ZINC000756339368 978698415 /nfs/dbraw/zinc/69/84/15/978698415.db2.gz MLSCFZJVGYILDB-LBPRGKRZSA-N -1 0 329.393 3.978 20 0 EHADRM Cc1cc(CN[C@H](C(=O)[O-])c2ccccc2Br)c(C)o1 ZINC000756352510 978699125 /nfs/dbraw/zinc/69/91/25/978699125.db2.gz WIKBXNCWLXZMOG-AWEZNQCLSA-N -1 0 338.201 3.574 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCC[C@H]2/C=C\c2ccccc2)C1 ZINC000762345503 978720008 /nfs/dbraw/zinc/72/00/08/978720008.db2.gz KOAGJBWLODCCEW-VKUHYPFOSA-N -1 0 327.424 3.582 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)/C=C/c1ccccc1F)C(=O)[O-] ZINC000766899023 978728704 /nfs/dbraw/zinc/72/87/04/978728704.db2.gz OLFICTFPAZZKPW-AYJWMTRPSA-N -1 0 341.382 3.588 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)/C=C\c1cc(C)n(C2CCCCC2)c1C ZINC000766912143 978728735 /nfs/dbraw/zinc/72/87/35/978728735.db2.gz FVLKLOKBTMSVHV-KHPPLWFESA-N -1 0 346.471 3.947 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000776647093 978766182 /nfs/dbraw/zinc/76/61/82/978766182.db2.gz BUEBSLZCSUZFEA-UHFFFAOYSA-N -1 0 331.343 3.954 20 0 EHADRM CCN(CCc1ccccc1)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811814935 978858539 /nfs/dbraw/zinc/85/85/39/978858539.db2.gz CTIIHEGYHLBCNU-UHFFFAOYSA-N -1 0 331.799 3.743 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N2CCc3ccc(Cl)cc32)c1 ZINC000811819505 978863828 /nfs/dbraw/zinc/86/38/28/978863828.db2.gz RRPXIPACHUJBNS-UHFFFAOYSA-N -1 0 336.174 3.895 20 0 EHADRM O=C([O-])CCCCCCNC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC000818294104 978908182 /nfs/dbraw/zinc/90/81/82/978908182.db2.gz PZOKLXWHIVODJU-FWIFWCIWSA-N -1 0 349.393 3.752 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc(/C=C\C(=O)[O-])o3)C2)cc1 ZINC000826539136 978946259 /nfs/dbraw/zinc/94/62/59/978946259.db2.gz OQMHUWOLHCRANL-LUXYIKNCSA-N -1 0 339.391 3.704 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)OCC/C=C\c1ccc(Br)cc1 ZINC000827342100 978955925 /nfs/dbraw/zinc/95/59/25/978955925.db2.gz RKSNNHZARDWWKR-MORRKMRCSA-N -1 0 341.201 3.506 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)[C@@H](C)c1ccccc1 ZINC000827671568 978963399 /nfs/dbraw/zinc/96/33/99/978963399.db2.gz IJEVZYSDHSTPMD-NEPJUHHUSA-N -1 0 330.359 3.838 20 0 EHADRM CCCCS[C@@H](C)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000829430633 978998691 /nfs/dbraw/zinc/99/86/91/978998691.db2.gz IFCLGYNSTBMCIX-ZFWWWQNUSA-N -1 0 337.485 3.877 20 0 EHADRM CCN(CC(=O)[O-])C(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 ZINC000829628526 979004344 /nfs/dbraw/zinc/00/43/44/979004344.db2.gz FRXLPHAOWOPMGK-UHFFFAOYSA-N -1 0 329.396 3.791 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)[C@@]2(C)CCc3ccccc3C2)cc1 ZINC000830508652 979019184 /nfs/dbraw/zinc/01/91/84/979019184.db2.gz YAHDSINQTKQTLJ-FQEVSTJZSA-N -1 0 338.407 3.935 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N(CC(=O)[O-])C1CCCC1 ZINC000832766735 979048723 /nfs/dbraw/zinc/04/87/23/979048723.db2.gz KQCYWFZAFQYVFK-UHFFFAOYSA-N -1 0 347.436 3.765 20 0 EHADRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)C[C@@H](C)C1CC1 ZINC000832848178 979050227 /nfs/dbraw/zinc/05/02/27/979050227.db2.gz SFLXQGSMNVSRDW-MRVPVSSYSA-N -1 0 340.217 3.830 20 0 EHADRM CC[C@H](C)c1nnc(N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)n1CC1CC1 ZINC001595017448 979079829 /nfs/dbraw/zinc/07/98/29/979079829.db2.gz GTZVJLWVNCIZGC-DZGCQCFKSA-N -1 0 348.491 3.529 20 0 EHADRM C[C@@H](CNC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)C(=O)[O-] ZINC001592675369 979089669 /nfs/dbraw/zinc/08/96/69/979089669.db2.gz RWPVEOSXXYFVOM-NSHDSACASA-N -1 0 348.786 3.975 20 0 EHADRM CC[C@@H](C)n1nc(C(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)cc1C ZINC001595021633 979097903 /nfs/dbraw/zinc/09/79/03/979097903.db2.gz BLHDUJNJSGMDMH-GFCCVEGCSA-N -1 0 344.411 3.744 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1)c1ccccc1 ZINC001592682693 979106053 /nfs/dbraw/zinc/10/60/53/979106053.db2.gz PNWAVYFBFBXDDC-LBPRGKRZSA-N -1 0 337.379 3.791 20 0 EHADRM C[C@@](CNC(=O)Nc1cccc(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC001592683419 979111979 /nfs/dbraw/zinc/11/19/79/979111979.db2.gz QHIOKJQLAHHZCJ-KRWDZBQOSA-N -1 0 332.787 3.504 20 0 EHADRM CC[C@H](C)n1nc(NC(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1C ZINC001595023251 979114923 /nfs/dbraw/zinc/11/49/23/979114923.db2.gz ICEZIIZGWDLZBO-LBPRGKRZSA-N -1 0 344.415 3.824 20 0 EHADRM CC[C@H](C)n1nc(C(=O)NC[C@H](C(=O)[O-])C2CCCCCC2)cc1C ZINC001595023510 979115802 /nfs/dbraw/zinc/11/58/02/979115802.db2.gz UCFVLHWENXJCHV-BBRMVZONSA-N -1 0 349.475 3.564 20 0 EHADRM CC[C@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1)C(C)C ZINC001595034104 979181169 /nfs/dbraw/zinc/18/11/69/979181169.db2.gz YWPYQMWTYIZUDQ-MEBBXXQBSA-N -1 0 329.799 3.793 20 0 EHADRM CC(C)(CNC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)C1CCCC1 ZINC000833457609 979188120 /nfs/dbraw/zinc/18/81/20/979188120.db2.gz MVTPISSVJIPFRO-OAHLLOKOSA-N -1 0 338.492 3.735 20 0 EHADRM CC[C@@H](CC(=O)NCc1ccc(Cl)c(C(=O)[O-])n1)C(C)(C)C ZINC001595037266 979205180 /nfs/dbraw/zinc/20/51/80/979205180.db2.gz WLXZYFIZDQYLEH-JTQLQIEISA-N -1 0 326.824 3.512 20 0 EHADRM CC[C@@H](CC(=O)OCc1cc(C(=O)[O-])oc1C)c1ccc(OC)cc1 ZINC001595037319 979206118 /nfs/dbraw/zinc/20/61/18/979206118.db2.gz ZIKQKOOHRVRIFH-ZDUSSCGKSA-N -1 0 346.379 3.922 20 0 EHADRM C[C@@](CNc1nccc(Oc2ccccc2)n1)(C(=O)[O-])c1ccccc1 ZINC001592730463 979248601 /nfs/dbraw/zinc/24/86/01/979248601.db2.gz WFJPYMFYQWUPSI-FQEVSTJZSA-N -1 0 349.390 3.723 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1ccc2sc(C)nc2c1 ZINC001595049754 979275705 /nfs/dbraw/zinc/27/57/05/979275705.db2.gz CILKDNHPYDHMLT-UHFFFAOYSA-N -1 0 335.429 3.760 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2CC=CCC2)ccc1N1CCCCC1 ZINC000841501581 979303431 /nfs/dbraw/zinc/30/34/31/979303431.db2.gz MLDAJVHOBHXSCG-CQSZACIVSA-N -1 0 328.412 3.670 20 0 EHADRM CCC(CC)(CCOC(=O)c1csc(C(F)(F)F)n1)C(=O)[O-] ZINC001595059585 979308615 /nfs/dbraw/zinc/30/86/15/979308615.db2.gz GTQKQHCKTMRTJD-UHFFFAOYSA-N -1 0 339.335 3.600 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2nc(Cc3ccccc3)cs2)C1 ZINC000842571952 979320424 /nfs/dbraw/zinc/32/04/24/979320424.db2.gz ZLPFEWVDGIQLKI-KBPBESRZSA-N -1 0 344.436 3.563 20 0 EHADRM C[C@H](COC(=O)C12CCC(C(=O)[O-])(CC1)CC2)Cc1ccc(F)cc1 ZINC001592764397 979366441 /nfs/dbraw/zinc/36/64/41/979366441.db2.gz KMHMYJNAAKSKDR-JAGHRAMZSA-N -1 0 348.414 3.973 20 0 EHADRM CCC(CC)(NC(=O)c1ccc(C(F)(F)F)cc1Cl)C(=O)[O-] ZINC001595097625 979394625 /nfs/dbraw/zinc/39/46/25/979394625.db2.gz DJSNMWKTSIRKOR-UHFFFAOYSA-N -1 0 337.725 3.732 20 0 EHADRM CCC(CC)[C@@H](NC(=O)Nc1ccc(C(=O)[O-])nn1)c1cccs1 ZINC001595109774 979447358 /nfs/dbraw/zinc/44/73/58/979447358.db2.gz MEECBDHHBDNZKV-CQSZACIVSA-N -1 0 348.428 3.535 20 0 EHADRM CCC(CC)N(CC)S(=O)(=O)c1cc2ccccc2cc1C(=O)[O-] ZINC001595114395 979463723 /nfs/dbraw/zinc/46/37/23/979463723.db2.gz JHWUEWHZUXKNBC-UHFFFAOYSA-N -1 0 349.452 3.737 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)Nc2cc(C)[nH]c2C(=O)[O-])cc1 ZINC001595121542 979492783 /nfs/dbraw/zinc/49/27/83/979492783.db2.gz OPGWBOPDSPWTSW-UHFFFAOYSA-N -1 0 330.384 3.841 20 0 EHADRM CN(C(=O)c1ccc(/C=C\C(=O)[O-])o1)[C@H]1CCCc2ccccc21 ZINC000851602508 979523519 /nfs/dbraw/zinc/52/35/19/979523519.db2.gz VVXMSEQYJLMOIO-DMIOIOJGSA-N -1 0 325.364 3.527 20 0 EHADRM CC(C)c1cccc(C(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)c1 ZINC000851608716 979535393 /nfs/dbraw/zinc/53/53/93/979535393.db2.gz MSCMSXHVOUQXDU-OAQYLSRUSA-N -1 0 337.419 3.679 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N2CCC(C3CCCCC3)CC2)o1 ZINC000851608523 979535566 /nfs/dbraw/zinc/53/55/66/979535566.db2.gz KLNPRIWQLRRKPM-VQHVLOKHSA-N -1 0 331.412 3.810 20 0 EHADRM C[C@@](Cc1ccccc1)(NC(=O)c1ccc(/C=C\C(=O)[O-])o1)C1CC1 ZINC000851621790 979552957 /nfs/dbraw/zinc/55/29/57/979552957.db2.gz CUJPYUGJAFEHBC-ZZLBYYGFSA-N -1 0 339.391 3.519 20 0 EHADRM C[C@@H](CSc1ncnc2c(-c3ccccc3)nsc21)C(=O)[O-] ZINC001592832222 979563398 /nfs/dbraw/zinc/56/33/98/979563398.db2.gz ODTUHUKNLJCZTC-VIFPVBQESA-N -1 0 331.422 3.566 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001592839877 979601429 /nfs/dbraw/zinc/60/14/29/979601429.db2.gz REXDKZXFMIGUQZ-CUZBXDDWSA-N -1 0 347.798 3.734 20 0 EHADRM C[C@H](Cc1ccc(Cl)s1)OC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001592840253 979604122 /nfs/dbraw/zinc/60/41/22/979604122.db2.gz VEIFOZCXTLMMCN-OUAUKWLOSA-N -1 0 330.833 3.767 20 0 EHADRM C/C(=C/C(=O)N[C@H](C)[C@H](Cc1ccccc1)C(=O)[O-])c1cccs1 ZINC000856925990 979611978 /nfs/dbraw/zinc/61/19/78/979611978.db2.gz JRVQEVUYQKOKBM-DHBRIPKISA-N -1 0 343.448 3.600 20 0 EHADRM CC[C@H](CNC(=O)Nc1ccc(SC2CCCC2)cc1)C(=O)[O-] ZINC001595154635 979660633 /nfs/dbraw/zinc/66/06/33/979660633.db2.gz NONPORDRXZEEFM-GFCCVEGCSA-N -1 0 336.457 3.954 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)/C=C/c2cc(C(=O)[O-])co2)cc1 ZINC000864103233 979688890 /nfs/dbraw/zinc/68/88/90/979688890.db2.gz XGMZIFWCRYUUBE-KBOKABMXSA-N -1 0 325.364 3.663 20 0 EHADRM Cc1ccccc1OCCCN(C)C(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000864105081 979691925 /nfs/dbraw/zinc/69/19/25/979691925.db2.gz JJOUVXXVQRSDBS-UHFFFAOYSA-N -1 0 341.407 3.543 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@H](c3ccccc3)CC2)oc1C(=O)[O-] ZINC000864107857 979696260 /nfs/dbraw/zinc/69/62/60/979696260.db2.gz ANMDUTNCTAXHNW-HNNXBMFYSA-N -1 0 327.380 3.696 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N(Cc2ccc(F)cc2)CC2CC2)o1 ZINC000864111274 979701479 /nfs/dbraw/zinc/70/14/79/979701479.db2.gz YLKQFNBIZXBCDF-NTMALXAHSA-N -1 0 343.354 3.569 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N2CCC[C@H]2CCc2ccccc2)o1 ZINC000864124546 979724541 /nfs/dbraw/zinc/72/45/41/979724541.db2.gz COKHLMDRNBTNJU-KVNDZABWSA-N -1 0 339.391 3.615 20 0 EHADRM CCC(CC)(CNC(=O)/C=C\c1csc(C(F)(F)F)c1)C(=O)[O-] ZINC000864127275 979727575 /nfs/dbraw/zinc/72/75/75/979727575.db2.gz RIGBIXXFPXDILI-WAYWQWQTSA-N -1 0 349.374 3.787 20 0 EHADRM O=C(/C=C\c1cc(C(=O)[O-])co1)N[C@H](c1ccccc1)C1CCC1 ZINC000864128310 979728525 /nfs/dbraw/zinc/72/85/25/979728525.db2.gz AXLSAEYCANBKMW-HJCTWCACSA-N -1 0 325.364 3.649 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)cc1)C(=O)[O-] ZINC001592873552 979735876 /nfs/dbraw/zinc/73/58/76/979735876.db2.gz VWHDLFBSOZAMIW-YMTYPPQLSA-N -1 0 337.419 3.866 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)Nc2cccc3c2CCO3)cc1)C(=O)[O-] ZINC001592874350 979740397 /nfs/dbraw/zinc/74/03/97/979740397.db2.gz ZVTPPSCOTKHLCH-LBPRGKRZSA-N -1 0 340.379 3.529 20 0 EHADRM C[C@H](Cc1ccc(NC[C@@H]2C[C@@]2(C)Br)cc1)C(=O)[O-] ZINC001592877301 979743253 /nfs/dbraw/zinc/74/32/53/979743253.db2.gz JHNYBNSKYLALNA-IFUGULHKSA-N -1 0 326.234 3.535 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2CCCC23CC3)ccc1N1CCCCC1 ZINC000864149805 979759026 /nfs/dbraw/zinc/75/90/26/979759026.db2.gz OYRJAOUQTLMBRP-INIZCTEOSA-N -1 0 342.439 3.894 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)N1[C@H](C)CC(C(=O)[O-])C[C@H]1C ZINC001592883426 979760243 /nfs/dbraw/zinc/76/02/43/979760243.db2.gz QPSJQKLTWLFMJH-JHJVBQTASA-N -1 0 337.847 3.619 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001592885050 979768447 /nfs/dbraw/zinc/76/84/47/979768447.db2.gz IRQOFVKJZACKBK-NSHDSACASA-N -1 0 340.354 3.823 20 0 EHADRM O=C([O-])c1coc(/C=C/C(=O)NCc2ccc(C3CCC3)cc2)c1 ZINC000864157545 979769438 /nfs/dbraw/zinc/76/94/38/979769438.db2.gz NHTDGXYIZKTDJE-CMDGGOBGSA-N -1 0 325.364 3.575 20 0 EHADRM CSc1cc(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)c(Cl)cc1Cl ZINC000864164162 979785928 /nfs/dbraw/zinc/78/59/28/979785928.db2.gz DHNSHKAQVSSBFS-QMMMGPOBSA-N -1 0 346.235 3.619 20 0 EHADRM C[C@H](Cc1ccccc1Cl)NC(=O)Nc1ccc(C(=O)[O-])s1 ZINC001592891965 979787033 /nfs/dbraw/zinc/78/70/33/979787033.db2.gz TVGVMEIZCRUROC-SECBINFHSA-N -1 0 338.816 3.852 20 0 EHADRM CC(C)[C@H]1CN(C(=O)c2ccc(/C=C\C(=O)[O-])o2)c2ccccc21 ZINC000864177947 979823595 /nfs/dbraw/zinc/82/35/95/979823595.db2.gz UBPXQKUKIDGLOR-WKTRQSJXSA-N -1 0 325.364 3.777 20 0 EHADRM CC[C@H](COC(=O)c1sc(-c2ccccc2C)nc1C)C(=O)[O-] ZINC001595186981 979838103 /nfs/dbraw/zinc/83/81/03/979838103.db2.gz HPQKZVLKTCXBJS-GFCCVEGCSA-N -1 0 333.409 3.695 20 0 EHADRM CCc1cc2c(CC(=O)NCc3cc(C(=O)[O-])co3)csc2s1 ZINC000864194662 979853732 /nfs/dbraw/zinc/85/37/32/979853732.db2.gz JODNRPRBSZKHGW-UHFFFAOYSA-N -1 0 349.433 3.675 20 0 EHADRM Cc1ccc(C[C@]2(C)CCCN2C(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000864194771 979853903 /nfs/dbraw/zinc/85/39/03/979853903.db2.gz MQGAOESTBHRCIA-IBGZPJMESA-N -1 0 327.380 3.524 20 0 EHADRM C[C@H](Cc1cncc2ccccc21)C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001592908610 979864815 /nfs/dbraw/zinc/86/48/15/979864815.db2.gz FCWYPAUNLMSQMZ-CQSZACIVSA-N -1 0 349.386 3.855 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(F)c(C(F)F)c2)CC2(CCC2)C1 ZINC000864201515 979879413 /nfs/dbraw/zinc/87/94/13/979879413.db2.gz AOXQQDSXRQPHLD-UHFFFAOYSA-N -1 0 327.302 3.737 20 0 EHADRM CC[C@@H](C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21)c1ccc(F)cc1 ZINC000864226540 979912941 /nfs/dbraw/zinc/91/29/41/979912941.db2.gz JJLQBNKOXSOWBJ-GOEBONIOSA-N -1 0 341.382 3.924 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)[C@H](C)c2c(F)cccc2F)c1 ZINC000864233699 979931746 /nfs/dbraw/zinc/93/17/46/979931746.db2.gz YRAKUTXRFNJAPT-MLGOLLRUSA-N -1 0 347.361 3.709 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001595210438 979984201 /nfs/dbraw/zinc/98/42/01/979984201.db2.gz GOYFWHMJMWQHBT-ZDUSSCGKSA-N -1 0 346.814 3.949 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)NCc1ccccc1CC(=O)[O-] ZINC001595210502 979984365 /nfs/dbraw/zinc/98/43/65/979984365.db2.gz HULQBBUEGYFAAA-KRWDZBQOSA-N -1 0 339.435 3.507 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC001595211142 979989123 /nfs/dbraw/zinc/98/91/23/979989123.db2.gz QDTHXQOJYYWOCI-SJLPKXTDSA-N -1 0 325.408 3.506 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N1C[C@H](C(=O)[O-])Cc2ccccc21 ZINC001595211328 979990762 /nfs/dbraw/zinc/99/07/62/979990762.db2.gz SCVZOPXAQMFTQM-SJLPKXTDSA-N -1 0 337.419 3.545 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC001595211388 979991858 /nfs/dbraw/zinc/99/18/58/979991858.db2.gz TWBKCGJBVHEUTD-MRXNPFEDSA-N -1 0 341.407 3.739 20 0 EHADRM CC(F)(F)C(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC001592934595 979993267 /nfs/dbraw/zinc/99/32/67/979993267.db2.gz NDRAYXJHRKBFLZ-UHFFFAOYSA-N -1 0 335.306 3.558 20 0 EHADRM CC(F)(F)CC(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001592935795 979998793 /nfs/dbraw/zinc/99/87/93/979998793.db2.gz LQBICUUNIDAXPG-SNVBAGLBSA-N -1 0 327.110 3.708 20 0 EHADRM CC(F)(F)CCC(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001592939245 980005481 /nfs/dbraw/zinc/00/54/81/980005481.db2.gz VKTPCAXLLOVDMS-NSHDSACASA-N -1 0 340.244 3.967 20 0 EHADRM CC(F)(F)c1cccc(NC(=O)N[C@@H](CC(=O)[O-])C2CCCC2)c1 ZINC001592944883 980024363 /nfs/dbraw/zinc/02/43/63/980024363.db2.gz SDEVKRDOSCWCES-AWEZNQCLSA-N -1 0 340.370 3.953 20 0 EHADRM CC(F)(F)c1cccc(NC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC001592945279 980025262 /nfs/dbraw/zinc/02/52/62/980025262.db2.gz WNHUMIXUIYNQQL-OAHLLOKOSA-N -1 0 348.349 3.788 20 0 EHADRM CC(F)(F)c1cccc(NC(=O)NCC2(C(=O)[O-])CCCCC2)c1 ZINC001592945404 980026563 /nfs/dbraw/zinc/02/65/63/980026563.db2.gz ZIYDKPDYUFSMGJ-UHFFFAOYSA-N -1 0 340.370 3.955 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC001595218940 980036036 /nfs/dbraw/zinc/03/60/36/980036036.db2.gz LRISEJBZESEVOF-HNNXBMFYSA-N -1 0 337.419 3.851 20 0 EHADRM CCC(F)(F)c1ccccc1NC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001595225485 980073128 /nfs/dbraw/zinc/07/31/28/980073128.db2.gz MDOCQNOHDIELHJ-VXGBXAGGSA-N -1 0 340.370 3.763 20 0 EHADRM CCN(c1cccc(C)c1)S(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000471124592 1014629098 /nfs/dbraw/zinc/62/90/98/1014629098.db2.gz MCUMMVRWUVSOEQ-UHFFFAOYSA-N -1 0 347.436 3.525 20 0 EHADRM CC[C@H](NC(=O)/C(=C\c1cccc(Cl)c1)c1cccs1)C(=O)[O-] ZINC001595230782 980100073 /nfs/dbraw/zinc/10/00/73/980100073.db2.gz RTGJHIKDZHVZDR-ZVHGMHCTSA-N -1 0 349.839 3.922 20 0 EHADRM CC[C@](NC(=O)/C=C\c1ccccc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595237469 980146083 /nfs/dbraw/zinc/14/60/83/980146083.db2.gz ISMSTHRCMKDPJD-FSENSJEKSA-N -1 0 343.810 3.860 20 0 EHADRM CC[C@@H](NC(=O)/C=C\c1cc(C(=O)[O-])co1)c1cc(C)ccc1C ZINC001595237544 980146881 /nfs/dbraw/zinc/14/68/81/980146881.db2.gz KZVYHFXHVITZHB-ZPUOCTKUSA-N -1 0 327.380 3.875 20 0 EHADRM CC[C@@](NC(=O)C/C=C/Cc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC001595238129 980153425 /nfs/dbraw/zinc/15/34/25/980153425.db2.gz BXIKYIOMTKRNPY-GLCJEOIMSA-N -1 0 337.419 3.682 20 0 EHADRM C[C@H](NC(=O)C1(C2CCCCC2)CC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001592993513 980195302 /nfs/dbraw/zinc/19/53/02/980195302.db2.gz DSFAEBJUYCTTDC-YJBOKZPZSA-N -1 0 343.467 3.795 20 0 EHADRM CC[C@H](NC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)c1cccc2ccccc21 ZINC001595248702 980199685 /nfs/dbraw/zinc/19/96/85/980199685.db2.gz CQJYTXFQYFUEII-XWIAVFTESA-N -1 0 340.423 3.653 20 0 EHADRM C[C@](NC(=O)[C@H]1CC12CCC2)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593003039 980216911 /nfs/dbraw/zinc/21/69/11/980216911.db2.gz OPPBRHKXLIUDNA-MEBBXXQBSA-N -1 0 342.222 3.600 20 0 EHADRM CC[C@@H](NC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)[C@H]1CC1(C)C ZINC001595253106 980227383 /nfs/dbraw/zinc/22/73/83/980227383.db2.gz UGZIQXRERHEMJS-ZIAGYGMSSA-N -1 0 329.400 3.812 20 0 EHADRM C[C@H](NC(=O)/C=C/C1CCCCC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593008149 980229849 /nfs/dbraw/zinc/22/98/49/980229849.db2.gz BLTYMABNUADFHW-PIJMTYBESA-N -1 0 329.440 3.571 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000899843885 980232346 /nfs/dbraw/zinc/23/23/46/980232346.db2.gz ZNYYBFQPGCWYEF-CABCVRRESA-N -1 0 333.428 3.831 20 0 EHADRM Cc1nc2c(Cl)cccc2cc1C(=O)NCCCCCC(=O)[O-] ZINC000901438793 980287493 /nfs/dbraw/zinc/28/74/93/980287493.db2.gz ZHKXLXIOKWPZMD-UHFFFAOYSA-N -1 0 334.803 3.571 20 0 EHADRM CC[C@@H](N[C@@H](C)c1ncc(C(=O)[O-])s1)c1cc(F)ccc1OC ZINC001595281201 980331850 /nfs/dbraw/zinc/33/18/50/980331850.db2.gz KHBAQHVBUONVJY-JOYOIKCWSA-N -1 0 338.404 3.791 20 0 EHADRM CCO[P@@](C)(=O)CC[C@H](C)Nc1cccc(CCC(=O)[O-])c1 ZINC000901554950 980380593 /nfs/dbraw/zinc/38/05/93/980380593.db2.gz JEFFYNCGSOXLSB-WHEQGISXSA-N -1 0 327.361 3.839 20 0 EHADRM CC[C@](NCc1sc(C)nc1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595304855 980441127 /nfs/dbraw/zinc/44/11/27/980441127.db2.gz ALEAYWKZHHTNKM-MRXNPFEDSA-N -1 0 338.860 3.893 20 0 EHADRM CC[C@@H](Nc1cccc(N2CCOCC2)c1)c1ccc(C(=O)[O-])cc1 ZINC001595317988 980497417 /nfs/dbraw/zinc/49/74/17/980497417.db2.gz DHDDUHDSILDLIL-LJQANCHMSA-N -1 0 340.423 3.785 20 0 EHADRM CC[C@@H](Nc1ccccc1)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001595318406 980500045 /nfs/dbraw/zinc/50/00/45/980500045.db2.gz KVSATNUBLLMVMU-RCCFBDPRSA-N -1 0 338.407 3.704 20 0 EHADRM COc1cc(C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)ccc1Cl ZINC000588592465 1032100451 /nfs/dbraw/zinc/10/04/51/1032100451.db2.gz FAJVJKCOWMDZQQ-WTKPLQERSA-N -1 0 331.755 3.699 20 0 EHADRM CC[C@H](OC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)[C@@H](C)C(=O)[O-] ZINC001595338756 980609120 /nfs/dbraw/zinc/60/91/20/980609120.db2.gz ZLGUWHJERXISCU-ZHAHWJHGSA-N -1 0 336.281 3.759 20 0 EHADRM CC[C@H](OC(=O)c1ccccc1S[C@@H](C)C(=O)[O-])c1ccncc1 ZINC001595351659 980659770 /nfs/dbraw/zinc/65/97/70/980659770.db2.gz IUZFXYPDZVNMCZ-WFASDCNBSA-N -1 0 345.420 3.955 20 0 EHADRM Cc1nc2cccc(Cl)c2cc1C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000901999833 980675622 /nfs/dbraw/zinc/67/56/22/980675622.db2.gz VWGYZNVMPZTICP-LBPRGKRZSA-N -1 0 346.814 3.666 20 0 EHADRM CC[C@H](OC(=O)c1csc(-c2ccccc2C)n1)[C@H](C)C(=O)[O-] ZINC001595353631 980683546 /nfs/dbraw/zinc/68/35/46/980683546.db2.gz TYKBNYNPOGQFPS-FZMZJTMJSA-N -1 0 333.409 3.775 20 0 EHADRM CC[C@H](OC(=O)c1oc(C(=O)[O-])cc1C)c1cc(OC)cc(OC)c1 ZINC001595353872 980685760 /nfs/dbraw/zinc/68/57/60/980685760.db2.gz LDYVFNHIAWATRO-AWEZNQCLSA-N -1 0 348.351 3.612 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)c1nc(-c2cc(C(=O)[O-])co2)no1 ZINC001595356347 980711520 /nfs/dbraw/zinc/71/15/20/980711520.db2.gz BRUZVXQAOLUHAT-CYBMUJFWSA-N -1 0 328.324 3.866 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC001595356499 980712790 /nfs/dbraw/zinc/71/27/90/980712790.db2.gz LFZGALHKVGCJJO-QZTJIDSGSA-N -1 0 347.455 3.692 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1Cc1ncc(Cl)s1 ZINC000902047905 980713228 /nfs/dbraw/zinc/71/32/28/980713228.db2.gz UPEOMUQJRKLNNO-VXGBXAGGSA-N -1 0 328.865 3.652 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)C2(C3CCCCC3)CC2)Cc2ccccc21 ZINC000902068426 980718699 /nfs/dbraw/zinc/71/86/99/980718699.db2.gz BPXSFZMEBWITNT-KRWDZBQOSA-N -1 0 327.424 3.558 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1ccsc1 ZINC001595358778 980735231 /nfs/dbraw/zinc/73/52/31/980735231.db2.gz JCAROICLTOKXHN-ZIAGYGMSSA-N -1 0 336.434 3.988 20 0 EHADRM CCc1oc(CN[C@@H](C)c2ccccc2OC(F)F)cc1C(=O)[O-] ZINC000902107360 980737961 /nfs/dbraw/zinc/73/79/61/980737961.db2.gz RHUMPEVGNFLFCE-JTQLQIEISA-N -1 0 339.338 3.992 20 0 EHADRM CCc1oc(CNc2cccc(N3CCCCC3=O)c2)cc1C(=O)[O-] ZINC000902124325 980746188 /nfs/dbraw/zinc/74/61/88/980746188.db2.gz ZXFIBVYEYJJIKI-UHFFFAOYSA-N -1 0 342.395 3.669 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cccc(C(C)=O)c1 ZINC001595360928 980757003 /nfs/dbraw/zinc/75/70/03/980757003.db2.gz QCAWDXDKNQDAGF-SFHVURJKSA-N -1 0 339.391 3.567 20 0 EHADRM C[C@H]1CN(C(=O)c2cccc(Nc3ccccc3)c2)CC[C@H]1C(=O)[O-] ZINC000902166621 980764840 /nfs/dbraw/zinc/76/48/40/980764840.db2.gz AHXADVVZXRCXTF-KBXCAEBGSA-N -1 0 338.407 3.613 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)C[C@H](C)c1ccco1 ZINC001595362050 980767797 /nfs/dbraw/zinc/76/77/97/980767797.db2.gz VEYLVMJKYWHBAP-HOCLYGCPSA-N -1 0 329.396 3.838 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)CCc1cccc(C)c1 ZINC001595362036 980767847 /nfs/dbraw/zinc/76/78/47/980767847.db2.gz UXDNKRCQCMTXOU-IBGZPJMESA-N -1 0 339.435 3.992 20 0 EHADRM CCc1oc(CNCc2csc(Br)c2)cc1C(=O)[O-] ZINC000902194188 980778058 /nfs/dbraw/zinc/77/80/58/980778058.db2.gz FLNUIPYQWLIMTI-UHFFFAOYSA-N -1 0 344.230 3.654 20 0 EHADRM CC[C@H](c1ccncc1)N(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001595363407 980781424 /nfs/dbraw/zinc/78/14/24/980781424.db2.gz AZCTUWDGKVWHTI-OAHLLOKOSA-N -1 0 345.374 3.842 20 0 EHADRM CCc1oc(CNc2cc3c(cc2SC)OCCO3)cc1C(=O)[O-] ZINC000902206732 980782601 /nfs/dbraw/zinc/78/26/01/980782601.db2.gz HNGODDOJXLFXKH-UHFFFAOYSA-N -1 0 349.408 3.645 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001595364367 980793089 /nfs/dbraw/zinc/79/30/89/980793089.db2.gz QRESXPVNVFSLSD-DZVNLGKHSA-N -1 0 344.455 3.669 20 0 EHADRM CC[C@H](c1ccncc1)N(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001595364520 980794517 /nfs/dbraw/zinc/79/45/17/980794517.db2.gz XGUCLQAOYPLNID-CYBMUJFWSA-N -1 0 349.337 3.673 20 0 EHADRM CC[C@H](c1ccccc1)N(CC)C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1 ZINC001595364592 980795101 /nfs/dbraw/zinc/79/51/01/980795101.db2.gz SVDXRCSBNXFLDX-USXIJHARSA-N -1 0 332.444 3.813 20 0 EHADRM Cc1cc(N[C@@H]2CC[C@@H](CC(=O)[O-])[C@@H]2C)ccc1OC1CCOCC1 ZINC000902279929 980814589 /nfs/dbraw/zinc/81/45/89/980814589.db2.gz CKBSGEBGDJHTHV-RLFYNMQTSA-N -1 0 347.455 3.854 20 0 EHADRM CCC1(C(=O)O[C@@H](C)c2nc(C(=O)[O-])co2)CCC(F)(F)CC1 ZINC001595368891 980831936 /nfs/dbraw/zinc/83/19/36/980831936.db2.gz PXJAZIFSZRCBPY-VIFPVBQESA-N -1 0 331.315 3.583 20 0 EHADRM CCC1(CC)CCN(C(=O)Nc2cc(COC)cc(C(=O)[O-])c2)C1 ZINC001595374907 980889709 /nfs/dbraw/zinc/88/97/09/980889709.db2.gz CQMGEOQTQIOIRJ-UHFFFAOYSA-N -1 0 334.416 3.575 20 0 EHADRM CCC1(CC)CCN(C(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)CC1 ZINC001595375028 980891470 /nfs/dbraw/zinc/89/14/70/980891470.db2.gz LWDBTFRDHAZKLB-UHFFFAOYSA-N -1 0 347.455 3.809 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CNc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000902454330 980894678 /nfs/dbraw/zinc/89/46/78/980894678.db2.gz DOALOUABQVNUON-IAGOWNOFSA-N -1 0 345.395 3.581 20 0 EHADRM O=C([O-])CC1CCC(Nc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)CC1 ZINC000902456510 980895887 /nfs/dbraw/zinc/89/58/87/980895887.db2.gz QCWBESJVEZXWLH-NRERDWFFSA-N -1 0 347.455 3.814 20 0 EHADRM Cc1nn(CCC(=O)[O-])c(C)c1CNc1ccc2c(c1)C=CCCC2 ZINC000902476904 980904097 /nfs/dbraw/zinc/90/40/97/980904097.db2.gz QMCVMMCTDVAQLA-UHFFFAOYSA-N -1 0 339.439 3.936 20 0 EHADRM CCC1(CC)Oc2ccc(NC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)cc2O1 ZINC001595376640 980907743 /nfs/dbraw/zinc/90/77/43/980907743.db2.gz FXIGFAOWVRAZCT-STQMWFEESA-N -1 0 347.411 3.804 20 0 EHADRM C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1NCC(F)(F)c1cc(F)cc(F)c1 ZINC000902507354 980913945 /nfs/dbraw/zinc/91/39/45/980913945.db2.gz RISQFPOCRBNNHH-BFVZDQMLSA-N -1 0 333.325 3.536 20 0 EHADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1sc2cccc(Cl)c2c1Cl ZINC000902663863 980941086 /nfs/dbraw/zinc/94/10/86/980941086.db2.gz VITTWDFZLUTBDQ-LJGSYFOKSA-N -1 0 344.219 3.801 20 0 EHADRM CCC1(c2ccccc2)CN(C(=O)Nc2cccc(C(=O)[O-])c2C)C1 ZINC001595397424 980965334 /nfs/dbraw/zinc/96/53/34/980965334.db2.gz NXWSFELFTWJLFS-UHFFFAOYSA-N -1 0 338.407 3.889 20 0 EHADRM CC[C@@H]1C[C@@H](C(=O)Oc2c(C(=O)[O-])ccc3ccccc32)CCO1 ZINC001595408093 980996496 /nfs/dbraw/zinc/99/64/96/980996496.db2.gz GDMZBVNXUJICIX-UONOGXRCSA-N -1 0 328.364 3.649 20 0 EHADRM CC[C@H]1C[C@H](CNc2ccc(N3CCCCC3)c(C(=O)[O-])c2)CCO1 ZINC001595412260 981009947 /nfs/dbraw/zinc/00/99/47/981009947.db2.gz BISRZYKGELNHIB-WBVHZDCISA-N -1 0 346.471 3.992 20 0 EHADRM CCC1CCC(NC(=O)CCCCc2ccccc2)(C(=O)[O-])CC1 ZINC001595420984 981040172 /nfs/dbraw/zinc/04/01/72/981040172.db2.gz UPCMCLHIXDNVCW-UHFFFAOYSA-N -1 0 331.456 3.939 20 0 EHADRM CC[C@@H]1CCC[C@@]1(C)C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC001595435135 981062842 /nfs/dbraw/zinc/06/28/42/981062842.db2.gz GWLRCZLSQIQXFY-PIGZYNQJSA-N -1 0 347.440 3.991 20 0 EHADRM CC[C@@H]1CCCC[C@H]1C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001595440149 981075963 /nfs/dbraw/zinc/07/59/63/981075963.db2.gz HIBMRTQQONQNDG-VDHUWJSZSA-N -1 0 329.440 3.530 20 0 EHADRM CSc1ccc(NC(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)cc1C(=O)[O-] ZINC000905043424 981086540 /nfs/dbraw/zinc/08/65/40/981086540.db2.gz FZCNBOCALUQOGM-USXIJHARSA-N -1 0 339.416 3.631 20 0 EHADRM CC[C@@H]1CCCC[C@H]1OCC(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001595447387 981095004 /nfs/dbraw/zinc/09/50/04/981095004.db2.gz GLYZFPAQXOMXQR-BPQIPLTHSA-N -1 0 347.455 3.612 20 0 EHADRM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1scc(C(=O)[O-])c1C ZINC001595448048 981097275 /nfs/dbraw/zinc/09/72/75/981097275.db2.gz LAZGGCCPBNHVCW-DGCLKSJQSA-N -1 0 325.430 3.679 20 0 EHADRM CC[C@@H]1CCCCCN1C(=O)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC001595448256 981097811 /nfs/dbraw/zinc/09/78/11/981097811.db2.gz NVJYRNMTZZQAFU-MRXNPFEDSA-N -1 0 334.416 3.718 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)OC1CCC(CC(=O)[O-])CC1 ZINC001595448488 981099122 /nfs/dbraw/zinc/09/91/22/981099122.db2.gz RBCMQKULOMRQJJ-KNIAUWFNSA-N -1 0 326.433 3.549 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001595448674 981099551 /nfs/dbraw/zinc/09/95/51/981099551.db2.gz STBUOZHVYPPIAE-ZRGWGRIASA-N -1 0 339.476 3.512 20 0 EHADRM Cc1cc(C)cc([C@@H](NCc2nc(C(F)(F)F)cs2)C(=O)[O-])c1 ZINC000905392856 981113464 /nfs/dbraw/zinc/11/34/64/981113464.db2.gz XYFKQFRRJJEDNV-CYBMUJFWSA-N -1 0 344.358 3.694 20 0 EHADRM CC[C@@H]1CCC[C@@H]1NC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001595456447 981126027 /nfs/dbraw/zinc/12/60/27/981126027.db2.gz QGXGTMQITJIQSB-OCCSQVGLSA-N -1 0 334.416 3.872 20 0 EHADRM CN(Cc1ccc(Cl)s1)C(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC000907563483 981191750 /nfs/dbraw/zinc/19/17/50/981191750.db2.gz DLUUDOMFYPNRRR-GUYCJALGSA-N -1 0 349.839 3.618 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC000907587063 981197422 /nfs/dbraw/zinc/19/74/22/981197422.db2.gz ZWCBYOINEPYYNH-IBGZPJMESA-N -1 0 331.412 3.924 20 0 EHADRM CCC(C)(C)c1ccccc1C(=O)N[C@H](CC(F)(F)F)C(=O)[O-] ZINC000907654776 981204599 /nfs/dbraw/zinc/20/45/99/981204599.db2.gz CJZJFEXZIHMOTR-GFCCVEGCSA-N -1 0 331.334 3.510 20 0 EHADRM CN(C(=O)c1ccccc1C1CCC1)c1ccc(OCC(=O)[O-])cc1 ZINC000907672241 981206419 /nfs/dbraw/zinc/20/64/19/981206419.db2.gz DLVDLMBHXNUJNZ-UHFFFAOYSA-N -1 0 339.391 3.694 20 0 EHADRM CSc1ccc(CCC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000907717297 981210517 /nfs/dbraw/zinc/21/05/17/981210517.db2.gz FXULTAWPZAAUCW-UHFFFAOYSA-N -1 0 341.432 3.582 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)c1ccc(/C=C/C(=O)[O-])o1)C(C)(C)C ZINC000908118861 981266254 /nfs/dbraw/zinc/26/62/54/981266254.db2.gz GIJVNLJQTMERIR-VMSUTVGLSA-N -1 0 342.395 3.598 20 0 EHADRM CC[C@H]1c2ccsc2CCN1C(=O)Nc1cc(C)c(C(=O)[O-])cn1 ZINC001595504564 981278593 /nfs/dbraw/zinc/27/85/93/981278593.db2.gz MJAHFFMBAMWIAL-ZDUSSCGKSA-N -1 0 345.424 3.691 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)[C@@H]2Cc3ccc(Cl)cc32)CCC1 ZINC000908332458 981300436 /nfs/dbraw/zinc/30/04/36/981300436.db2.gz GLMOUSDWVASHMB-OAHLLOKOSA-N -1 0 335.831 3.521 20 0 EHADRM Cc1ccccc1C[C@@H](C)C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908337943 981302809 /nfs/dbraw/zinc/30/28/09/981302809.db2.gz DXQPRAKKZNNCNL-MRXNPFEDSA-N -1 0 331.456 3.715 20 0 EHADRM C[C@H](CC(=O)NCCCCC1(C(=O)[O-])CCC1)c1ccccc1F ZINC000908341657 981305143 /nfs/dbraw/zinc/30/51/43/981305143.db2.gz NWAQUWURFAVTCC-CQSZACIVSA-N -1 0 335.419 3.861 20 0 EHADRM COc1ccc(Cl)cc1C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908353362 981306980 /nfs/dbraw/zinc/30/69/80/981306980.db2.gz CILISEBFGCJCRV-UHFFFAOYSA-N -1 0 339.819 3.504 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)C2(c3cccs3)CCCCC2)C1 ZINC000908371456 981309363 /nfs/dbraw/zinc/30/93/63/981309363.db2.gz BXWLPEYGWMZXGL-KGLIPLIRSA-N -1 0 335.469 3.710 20 0 EHADRM CCCOc1cccc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC000908717797 981345821 /nfs/dbraw/zinc/34/58/21/981345821.db2.gz OLIDRQOQVIBGPM-UHFFFAOYSA-N -1 0 331.412 3.839 20 0 EHADRM CCC[C@H](C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001595536416 981382914 /nfs/dbraw/zinc/38/29/14/981382914.db2.gz ZKRREMOVZZWRFQ-KCXAZCMYSA-N -1 0 337.847 3.983 20 0 EHADRM Cc1cc([C@@H](NCc2nc3c(s2)CCC3)C(=O)[O-])ccc1Cl ZINC000683172172 1014730841 /nfs/dbraw/zinc/73/08/41/1014730841.db2.gz AKRPETULFUHXFV-OAHLLOKOSA-N -1 0 336.844 3.509 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)Cc1csc2cc(C)sc12 ZINC000909056236 981407292 /nfs/dbraw/zinc/40/72/92/981407292.db2.gz KGAHEQOTUCVHGU-HNNXBMFYSA-N -1 0 325.455 3.573 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)Cc1cccc(C(F)F)c1)c1ccccc1 ZINC000909062483 981408780 /nfs/dbraw/zinc/40/87/80/981408780.db2.gz HKNLHSGOSZQMHC-YVEFUNNKSA-N -1 0 347.361 3.745 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc2c(c1)CCCCC2=O ZINC000909083947 981415466 /nfs/dbraw/zinc/41/54/66/981415466.db2.gz OKVYOFSVXQDRLJ-UHFFFAOYSA-N -1 0 337.375 3.855 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[C@H]1OCCc2sccc21 ZINC000909083482 981415635 /nfs/dbraw/zinc/41/56/35/981415635.db2.gz KUXTWTUCLQVMBC-MEDUHNTESA-N -1 0 345.420 3.643 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CCc1ncc(C(C)(C)C)o1 ZINC000909084877 981415644 /nfs/dbraw/zinc/41/56/44/981415644.db2.gz YQPFOGLOFWPPJD-UHFFFAOYSA-N -1 0 330.384 3.550 20 0 EHADRM CCC[C@@H]1C[C@H](C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CCO1 ZINC000909109224 981419445 /nfs/dbraw/zinc/41/94/45/981419445.db2.gz YUVOZSTYUZOTDS-ZYHUDNBSSA-N -1 0 325.792 3.572 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2CCOC3(CCCC3)C2)ccc1Cl ZINC000909113535 981420501 /nfs/dbraw/zinc/42/05/01/981420501.db2.gz UMGUKLWFBBWJCX-LLVKDONJSA-N -1 0 337.803 3.716 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)c2cnc(C3CC3)o2)c1 ZINC000909226161 981437211 /nfs/dbraw/zinc/43/72/11/981437211.db2.gz FKBCNJVSCKLXAV-UHFFFAOYSA-N -1 0 346.408 3.512 20 0 EHADRM C[C@@H](c1ccc(C(=O)NCC2(C(=O)[O-])CCCC2)cc1)C(F)(F)F ZINC000909276102 981456683 /nfs/dbraw/zinc/45/66/83/981456683.db2.gz PHVUBYBTBYVQLI-NSHDSACASA-N -1 0 343.345 3.727 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cc3c([nH]2)CCCC3)cc1 ZINC000909287508 981459822 /nfs/dbraw/zinc/45/98/22/981459822.db2.gz DPSVMTSEXALTLU-UHFFFAOYSA-N -1 0 326.396 3.508 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(C)cs2)cc1 ZINC000909325474 981468800 /nfs/dbraw/zinc/46/88/00/981468800.db2.gz KLBMDCUBIJFVSX-ZDUSSCGKSA-N -1 0 335.450 3.724 20 0 EHADRM CCC[C@H](C)CC(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC001595571467 981479415 /nfs/dbraw/zinc/47/94/15/981479415.db2.gz RCQJOCRZQGHVFT-VIFPVBQESA-N -1 0 328.206 3.912 20 0 EHADRM O=C([O-])Cc1occc1C(=O)NCC1(c2ccccc2)CCCCC1 ZINC000909398634 981483387 /nfs/dbraw/zinc/48/33/87/981483387.db2.gz OGUBOMLWQXQGSG-UHFFFAOYSA-N -1 0 341.407 3.539 20 0 EHADRM C[C@H](CN(C(=O)c1ccc([C@@H](C)C(F)(F)F)cc1)C1CC1)C(=O)[O-] ZINC000909455650 981497398 /nfs/dbraw/zinc/49/73/98/981497398.db2.gz ZHFDOENVUQBUNM-GHMZBOCLSA-N -1 0 343.345 3.678 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@@H](C)OCc1ccc(F)cc1 ZINC000909513400 981520632 /nfs/dbraw/zinc/52/06/32/981520632.db2.gz PBFNEUYYPRLDIY-CYBMUJFWSA-N -1 0 345.370 3.685 20 0 EHADRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(C(F)F)cc1 ZINC000909530088 981533360 /nfs/dbraw/zinc/53/33/60/981533360.db2.gz AEUXBSSOJLVGNS-INIZCTEOSA-N -1 0 347.361 3.830 20 0 EHADRM CCC[C@H](CC1CCCC1)C(=O)NCc1ccccc1CC(=O)[O-] ZINC001595587389 981541223 /nfs/dbraw/zinc/54/12/23/981541223.db2.gz KMEQVZDKSRWKRU-QGZVFWFLSA-N -1 0 331.456 3.927 20 0 EHADRM CCC[C@H](CNc1nc(C)nc2sc(C(=O)[O-])c(C)c21)OCC ZINC001595593586 981557665 /nfs/dbraw/zinc/55/76/65/981557665.db2.gz CTDYWILEZRDZIM-LLVKDONJSA-N -1 0 337.445 3.623 20 0 EHADRM CCC[C@@H](NC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1)C(C)(C)C ZINC001595600098 981577106 /nfs/dbraw/zinc/57/71/06/981577106.db2.gz KPIRCYSKIIPZAZ-OAHLLOKOSA-N -1 0 335.444 3.711 20 0 EHADRM CCC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C)C1CCCC1 ZINC001595600459 981580453 /nfs/dbraw/zinc/58/04/53/981580453.db2.gz PZPJRWDTISPRFH-OAHLLOKOSA-N -1 0 347.459 3.931 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N1CCC[C@@H]1CCCc1ccccc1 ZINC000909726710 981581468 /nfs/dbraw/zinc/58/14/68/981581468.db2.gz WGDNDRPXIWADJF-INIZCTEOSA-N -1 0 341.407 3.534 20 0 EHADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1cccc(-c2c(F)cccc2F)c1 ZINC000909807294 981634923 /nfs/dbraw/zinc/63/49/23/981634923.db2.gz GQSORHLRAMQVJH-SMDDNHRTSA-N -1 0 345.345 3.567 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC001594747988 981641373 /nfs/dbraw/zinc/64/13/73/981641373.db2.gz OJBGIEWBQYIAAG-CRAIPNDOSA-N -1 0 337.375 3.749 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)CCc2ncc(C(C)(C)C)o2)c1 ZINC000909833757 981651512 /nfs/dbraw/zinc/65/15/12/981651512.db2.gz JUZWZIBKPULINF-LBPRGKRZSA-N -1 0 344.411 3.732 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)N2CCC[C@](C)(C(=O)[O-])C2)c1 ZINC000909841490 981663104 /nfs/dbraw/zinc/66/31/04/981663104.db2.gz IPCQSNPCEGCGAX-QRWLVFNGSA-N -1 0 347.455 3.682 20 0 EHADRM CCC[C@@H]1C[C@@H](C(=O)Nc2cc(C(=O)[O-])ccc2Cl)CCO1 ZINC001595620285 981687989 /nfs/dbraw/zinc/68/79/89/981687989.db2.gz CHYDOXCONSQUDZ-CMPLNLGQSA-N -1 0 325.792 3.572 20 0 EHADRM CCCC1CCC(N(C)C(=O)NCc2cc(C(=O)[O-])c(C)o2)CC1 ZINC001595620493 981689945 /nfs/dbraw/zinc/68/99/45/981689945.db2.gz JXWZOCOTEBLVGG-UHFFFAOYSA-N -1 0 336.432 3.787 20 0 EHADRM O=C([O-])C12CCC(C(=O)NCc3cccc4ccsc43)(CC1)CC2 ZINC000909874496 981693606 /nfs/dbraw/zinc/69/36/06/981693606.db2.gz QJUDRMWMVBQGTE-UHFFFAOYSA-N -1 0 343.448 3.943 20 0 EHADRM CCCC1CCC(N(C)C(=O)Nc2cccc(OCC(=O)[O-])c2)CC1 ZINC001595620809 981693932 /nfs/dbraw/zinc/69/39/32/981693932.db2.gz UQLUQEWYRWAOOG-UHFFFAOYSA-N -1 0 348.443 3.973 20 0 EHADRM CCC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001595621237 981697910 /nfs/dbraw/zinc/69/79/10/981697910.db2.gz DZZBOOSVFGWCHP-SMDDNHRTSA-N -1 0 344.415 3.742 20 0 EHADRM CSc1ccccc1[C@H](C)NC(=O)c1ccccc1CCC(=O)[O-] ZINC000909921015 981701932 /nfs/dbraw/zinc/70/19/32/981701932.db2.gz KXBZKHDETZWLES-ZDUSSCGKSA-N -1 0 343.448 3.917 20 0 EHADRM Cc1cccc([C@H]2CCN(C(=O)c3ccccc3CCC(=O)[O-])C2)c1 ZINC000910014695 981734839 /nfs/dbraw/zinc/73/48/39/981734839.db2.gz VGXJKUPUHBTDKO-SFHVURJKSA-N -1 0 337.419 3.642 20 0 EHADRM O=C([O-])C12CCC(C(=O)NCc3ccc(C4CCC4)cc3)(CC1)C2 ZINC000910023153 981736668 /nfs/dbraw/zinc/73/66/68/981736668.db2.gz QCEVFTWXQCPRLC-UHFFFAOYSA-N -1 0 327.424 3.605 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1CCC[C@@H]3CCCC[C@H]13)C2 ZINC000910039992 981739791 /nfs/dbraw/zinc/73/97/91/981739791.db2.gz KPOQWCRIIFEKRM-DOPJRALCSA-N -1 0 327.424 3.834 20 0 EHADRM CCC[C@@H]1CN(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)CCO1 ZINC001595625039 981742287 /nfs/dbraw/zinc/74/22/87/981742287.db2.gz NJPVGBACJCFTKB-OAHLLOKOSA-N -1 0 342.395 3.571 20 0 EHADRM CC1(C(=O)[O-])CN(C(=O)c2ccccc2SCc2cccs2)C1 ZINC000910055264 981746555 /nfs/dbraw/zinc/74/65/55/981746555.db2.gz BTABGQMZGHEFHF-UHFFFAOYSA-N -1 0 347.461 3.587 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)[C@@H]1CCC[C@@H]1c1ccccc1)C2 ZINC000910066232 981751198 /nfs/dbraw/zinc/75/11/98/981751198.db2.gz NPZDQQCMNMLVBR-IEBWSBKVSA-N -1 0 349.430 3.853 20 0 EHADRM Cc1oc(C(C)C)nc1C(=O)N1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000910088344 981756167 /nfs/dbraw/zinc/75/61/67/981756167.db2.gz AIPAEXZLJCHTGZ-LSDHHAIUSA-N -1 0 348.443 3.602 20 0 EHADRM CC[C@H](C(=O)O[C@@H](C(=O)[O-])c1ccccc1F)c1ccc(F)cc1 ZINC001594775812 981761726 /nfs/dbraw/zinc/76/17/26/981761726.db2.gz WPZPNMXTVSGZBQ-XJKSGUPXSA-N -1 0 334.318 3.828 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001594782382 981789985 /nfs/dbraw/zinc/78/99/85/981789985.db2.gz OKPSZLPJCSTVGV-MBOZVWFJSA-N -1 0 347.430 3.811 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)COc1cccc(C(C)C)c1 ZINC001594783077 981792974 /nfs/dbraw/zinc/79/29/74/981792974.db2.gz USZOEGLVGUHCGX-HXUWFJFHSA-N -1 0 347.455 3.681 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)CCCc1ccc(C)s1 ZINC001594783121 981793700 /nfs/dbraw/zinc/79/37/00/981793700.db2.gz VSVQJJHAZTUULZ-SFHVURJKSA-N -1 0 337.485 3.871 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(F)c3ccccc23)[C@H]2CCC[C@H]21 ZINC000910237302 981802464 /nfs/dbraw/zinc/80/24/64/981802464.db2.gz AMUUSDXGSFXKPZ-LESCRADOSA-N -1 0 341.382 3.694 20 0 EHADRM CN(C(=O)c1ccoc1CC(=O)[O-])[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000910250218 981823590 /nfs/dbraw/zinc/82/35/90/981823590.db2.gz DGNPARSUKHGOBJ-NVXWUHKLSA-N -1 0 341.407 3.705 20 0 EHADRM C/C=C(\CC)C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000910254213 981829945 /nfs/dbraw/zinc/82/99/45/981829945.db2.gz HDLIFHPZFIKFDS-RUDMXATFSA-N -1 0 326.190 3.751 20 0 EHADRM CCCC[C@H](C)C(=O)Nc1cc(C(=O)[O-])c(NC(C)=O)cc1Cl ZINC001595631517 981839885 /nfs/dbraw/zinc/83/98/85/981839885.db2.gz SDXCWEIGQLKNAT-VIFPVBQESA-N -1 0 340.807 3.761 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(C(C)C)nc1C ZINC001594792707 981862314 /nfs/dbraw/zinc/86/23/14/981862314.db2.gz PACBDQFWKKSCGC-IBGZPJMESA-N -1 0 332.444 3.619 20 0 EHADRM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)CC1 ZINC001594796497 981877738 /nfs/dbraw/zinc/87/77/38/981877738.db2.gz BAVQYSIBBUHJMK-QTHJGGCBSA-N -1 0 335.488 3.941 20 0 EHADRM C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)C1 ZINC000910360001 981890819 /nfs/dbraw/zinc/89/08/19/981890819.db2.gz RNBKMNGZACWJCC-PIGZYNQJSA-N -1 0 349.390 3.566 20 0 EHADRM CCC(C)(C)CNC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001594801296 981896730 /nfs/dbraw/zinc/89/67/30/981896730.db2.gz KCNJZKLVZWAFDQ-UHFFFAOYSA-N -1 0 333.432 3.543 20 0 EHADRM CCCC[C@H](NC(=O)CCCc1ccc2ccccc2c1)C(=O)[O-] ZINC001595635220 981900585 /nfs/dbraw/zinc/90/05/85/981900585.db2.gz DEUXYGMFYLVHAV-SFHVURJKSA-N -1 0 327.424 3.922 20 0 EHADRM CCC(C)(C)c1ccc(CNC(=O)NC[C@@H](CC(=O)[O-])C2CC2)cc1 ZINC001594814817 981940944 /nfs/dbraw/zinc/94/09/44/981940944.db2.gz XZILJBKRNVSIRJ-MRXNPFEDSA-N -1 0 346.471 3.674 20 0 EHADRM CCC(C)(C)c1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001594815670 981944233 /nfs/dbraw/zinc/94/42/33/981944233.db2.gz JIXBFCVYLYQQIY-SFHVURJKSA-N -1 0 339.435 3.800 20 0 EHADRM CC(C)C[C@H](NC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1)C(=O)[O-] ZINC000910463879 981947539 /nfs/dbraw/zinc/94/75/39/981947539.db2.gz UPBHTTTXDBTAJO-MFKMUULPSA-N -1 0 331.334 3.582 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN(C(=O)CCc1cccc(Cl)c1)C2 ZINC000910499544 981966124 /nfs/dbraw/zinc/96/61/24/981966124.db2.gz VTEQUNIYFVKSCB-UHFFFAOYSA-N -1 0 343.810 3.556 20 0 EHADRM CCCC[C@@H](OC(=O)c1c(F)cc(C(F)(F)F)cc1F)C(=O)[O-] ZINC001595650725 982012120 /nfs/dbraw/zinc/01/21/20/982012120.db2.gz MFYVNUTUSJRELD-SNVBAGLBSA-N -1 0 340.244 3.784 20 0 EHADRM CCCC[C@@H](S[C@H](C)C(=O)Nc1ccc(F)cc1F)C(=O)[O-] ZINC001595651112 982017427 /nfs/dbraw/zinc/01/74/27/982017427.db2.gz BZULKRQCYIHQJY-NOZJJQNGSA-N -1 0 331.384 3.668 20 0 EHADRM CCCC[C@@H](S[C@@H](C(=O)OC)c1ccccc1Cl)C(=O)[O-] ZINC001595651254 982019162 /nfs/dbraw/zinc/01/91/62/982019162.db2.gz DNKAVPPDMLDJQP-CHWSQXEVSA-N -1 0 330.833 3.931 20 0 EHADRM O=C([O-])c1cc(Oc2ccc(NC(=O)[C@H]3[C@@H]4CCC[C@@H]43)cc2)ccn1 ZINC000910618414 982022972 /nfs/dbraw/zinc/02/29/72/982022972.db2.gz HKKVLUFQINXTBX-QLPKVWCKSA-N -1 0 338.363 3.557 20 0 EHADRM CCCC[C@@H](S[C@H](C)C(=O)N(C)Cc1ccccc1C)C(=O)[O-] ZINC001595652404 982034465 /nfs/dbraw/zinc/03/44/65/982034465.db2.gz TYXLFWXQFGLFTP-GDBMZVCRSA-N -1 0 337.485 3.719 20 0 EHADRM CCCC[C@H](SCC(=O)Nc1cc(Cl)ccc1C)C(=O)[O-] ZINC001595654190 982040042 /nfs/dbraw/zinc/04/00/42/982040042.db2.gz BIPRXBZNIHIPHI-ZDUSSCGKSA-N -1 0 329.849 3.964 20 0 EHADRM CC(C)CCn1ncc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1C(C)C ZINC000910657467 982045341 /nfs/dbraw/zinc/04/53/41/982045341.db2.gz ZNNGOVBAPYGCLY-GJZGRUSLSA-N -1 0 349.475 3.882 20 0 EHADRM Cc1cc(NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])nn1C(C)C ZINC000910679366 982055116 /nfs/dbraw/zinc/05/51/16/982055116.db2.gz MQXDYJUAVPOMQC-GFCCVEGCSA-N -1 0 347.440 3.590 20 0 EHADRM Cc1sc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)nc1C(C)C ZINC000910679335 982055147 /nfs/dbraw/zinc/05/51/47/982055147.db2.gz LVHPHCQFUMXRIG-UHFFFAOYSA-N -1 0 336.457 3.939 20 0 EHADRM CC(C)c1sc(NC(=O)CCc2ccc(F)cc2)nc1C(=O)[O-] ZINC000910699752 982069748 /nfs/dbraw/zinc/06/97/48/982069748.db2.gz DXOXWRFGQNKGRH-UHFFFAOYSA-N -1 0 336.388 3.675 20 0 EHADRM CCCCC1CCC(CNC(=O)Nc2cccc(C(=O)[O-])n2)CC1 ZINC001595660452 982070188 /nfs/dbraw/zinc/07/01/88/982070188.db2.gz FKOCYVRFMLTQQU-UHFFFAOYSA-N -1 0 333.432 3.898 20 0 EHADRM CC(C)(CC(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)CC(F)F ZINC000910739052 982100936 /nfs/dbraw/zinc/10/09/36/982100936.db2.gz GRKIJKULQJKKCW-UHFFFAOYSA-N -1 0 332.372 3.729 20 0 EHADRM CCCCC[C@@](C)(CC)C(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001595666463 982101776 /nfs/dbraw/zinc/10/17/76/982101776.db2.gz JUHKHBARADNMBH-SCLBCKFNSA-N -1 0 335.448 3.529 20 0 EHADRM CCCCC[C@@H](CC)C(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-] ZINC001595669800 982115313 /nfs/dbraw/zinc/11/53/13/982115313.db2.gz JJDCVEBUXJRKOF-GFCCVEGCSA-N -1 0 337.416 3.947 20 0 EHADRM CCCCC[C@H](CC)C(=O)Nc1c(C(=O)[O-])nnn1-c1ccccc1 ZINC001595670356 982118056 /nfs/dbraw/zinc/11/80/56/982118056.db2.gz PJWLCSBWPONZJY-ZDUSSCGKSA-N -1 0 344.415 3.511 20 0 EHADRM CCCCC[C@H](NC(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1)C(=O)[O-] ZINC001595670511 982119398 /nfs/dbraw/zinc/11/93/98/982119398.db2.gz QWCNYWSWOJEKOB-YOEHRIQHSA-N -1 0 349.471 3.901 20 0 EHADRM CCCCC[C@@H](NC(=O)CCSc1ccccc1Cl)C(=O)[O-] ZINC001595671935 982127635 /nfs/dbraw/zinc/12/76/35/982127635.db2.gz JJKIXXHLOHBENJ-CYBMUJFWSA-N -1 0 343.876 3.972 20 0 EHADRM CCCCC[C@H](NC(=O)Cc1scnc1-c1ccccc1)C(=O)[O-] ZINC001595672237 982131302 /nfs/dbraw/zinc/13/13/02/982131302.db2.gz HHLUTDKAZMTEOW-AWEZNQCLSA-N -1 0 346.452 3.502 20 0 EHADRM C[C@@H]1CN(C(=O)c2cccc(Nc3ccccc3)c2)C[C@H]1CC(=O)[O-] ZINC000910861371 982150453 /nfs/dbraw/zinc/15/04/53/982150453.db2.gz OAHPWCMXVMIGEV-GDBMZVCRSA-N -1 0 338.407 3.613 20 0 EHADRM Cc1cc(NC(=O)C[C@@H](C)CC(=O)[O-])cc(C)c1Br ZINC000232020842 1014806292 /nfs/dbraw/zinc/80/62/92/1014806292.db2.gz IXEHEOXQPZFKAI-MRVPVSSYSA-N -1 0 328.206 3.505 20 0 EHADRM CC(C)(C)OCc1ccccc1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000910945364 982170999 /nfs/dbraw/zinc/17/09/99/982170999.db2.gz TXJIZDPFNJUEIZ-ZIAGYGMSSA-N -1 0 333.428 3.831 20 0 EHADRM CSc1ccc(NC(=O)C[C@@H](C)n2nc(C)cc2C)cc1C(=O)[O-] ZINC000910949831 982173579 /nfs/dbraw/zinc/17/35/79/982173579.db2.gz QKCHKWRNMQPNOW-GFCCVEGCSA-N -1 0 347.440 3.510 20 0 EHADRM CSc1ccc(NC(=O)CO[C@@H]2CCCC[C@@H]2C)cc1C(=O)[O-] ZINC000910950647 982174664 /nfs/dbraw/zinc/17/46/64/982174664.db2.gz ZHTDTCLRSPAKLT-SMDDNHRTSA-N -1 0 337.441 3.641 20 0 EHADRM CCO[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1CC)c1ccccc1 ZINC000910954711 982175228 /nfs/dbraw/zinc/17/52/28/982175228.db2.gz PJICZAMUUQAYFS-QGZVFWFLSA-N -1 0 327.380 3.664 20 0 EHADRM CC[C@@H](C)[C@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC001594866622 982176705 /nfs/dbraw/zinc/17/67/05/982176705.db2.gz SOJXXEOAKZHKQN-KDOFPFPSSA-N -1 0 340.423 3.568 20 0 EHADRM CCCCCC[C@@H](C)C(=O)N1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC001595694692 982213036 /nfs/dbraw/zinc/21/30/36/982213036.db2.gz GXELXRHOXZQVCS-CQSZACIVSA-N -1 0 347.455 3.885 20 0 EHADRM CCCCCC[C@@H](O)CCC(=O)Nc1cc(C(=O)[O-])sc1C ZINC001595702307 982263295 /nfs/dbraw/zinc/26/32/95/982263295.db2.gz GMHAIHFOPBZXCD-GFCCVEGCSA-N -1 0 327.446 3.805 20 0 EHADRM CCCCCCO[C@H](C)C(=O)Nc1sc(CC)cc1C(=O)[O-] ZINC001595710098 982293286 /nfs/dbraw/zinc/29/32/86/982293286.db2.gz CHUGYWUNKJDPJW-LLVKDONJSA-N -1 0 327.446 3.933 20 0 EHADRM CCCCCCO[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC001595710929 982296754 /nfs/dbraw/zinc/29/67/54/982296754.db2.gz OMCNTPNBUCITPW-RDJZCZTQSA-N -1 0 335.444 3.531 20 0 EHADRM O=C([O-])C12CCC(C(=O)Nc3cccc(N4CCCCC4)c3)(CC1)C2 ZINC000911247159 982311559 /nfs/dbraw/zinc/31/15/59/982311559.db2.gz DSCDIUASQVVHPI-UHFFFAOYSA-N -1 0 342.439 3.651 20 0 EHADRM CCCCCN(CCCOC)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001595716340 982320799 /nfs/dbraw/zinc/32/07/99/982320799.db2.gz XUQSNKUPPKWKRL-UHFFFAOYSA-N -1 0 328.434 3.507 20 0 EHADRM CCCCN(C(=O)CCc1ccccc1C(=O)[O-])c1ccncc1 ZINC001595731667 982362768 /nfs/dbraw/zinc/36/27/68/982362768.db2.gz CRBDEWHDATZTDV-UHFFFAOYSA-N -1 0 326.396 3.546 20 0 EHADRM CCCCN(C)c1ccc(C(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])cc1 ZINC001595740264 982394694 /nfs/dbraw/zinc/39/46/94/982394694.db2.gz CVQYBLUYHLMQRM-PXNSSMCTSA-N -1 0 346.471 3.686 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001594908308 982398234 /nfs/dbraw/zinc/39/82/34/982398234.db2.gz FEBXYIUQRWHIPY-JMLLCIOISA-N -1 0 344.238 3.712 20 0 EHADRM Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000911399316 982418210 /nfs/dbraw/zinc/41/82/10/982418210.db2.gz QYEDYWYGRAXMNM-KEYYUXOJSA-N -1 0 333.403 3.689 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)c1cc2cccc(Cl)c2s1)C(=O)[O-] ZINC001594912787 982425471 /nfs/dbraw/zinc/42/54/71/982425471.db2.gz ULAUIEWVNZBWAE-PRHODGIISA-N -1 0 325.817 3.784 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)c1sc(C2CCCCC2)nc1C)C(=O)[O-] ZINC001594913677 982431095 /nfs/dbraw/zinc/43/10/95/982431095.db2.gz YUKOMOGAGIVYJY-MFKMUULPSA-N -1 0 338.473 3.728 20 0 EHADRM CCCCNc1ccccc1C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001595763304 982471255 /nfs/dbraw/zinc/47/12/55/982471255.db2.gz HHBVJNKGMWDXDI-UHFFFAOYSA-N -1 0 332.425 3.588 20 0 EHADRM COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)CC(C)(C)CC(=O)[O-] ZINC000911573941 982511665 /nfs/dbraw/zinc/51/16/65/982511665.db2.gz SUTRMHPRYPCJMY-GOEBONIOSA-N -1 0 347.455 3.886 20 0 EHADRM CCCCOc1cc(CNc2cncc(C(=O)[O-])c2)ccc1OC ZINC001595774044 982527947 /nfs/dbraw/zinc/52/79/47/982527947.db2.gz GFTWOEFKERVVKN-UHFFFAOYSA-N -1 0 330.384 3.579 20 0 EHADRM CCCC[C@@H](C)C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000911598665 982531374 /nfs/dbraw/zinc/53/13/74/982531374.db2.gz MSRHYIUJXYIEHO-CQSZACIVSA-N -1 0 332.444 3.614 20 0 EHADRM CC[C@@H](C)[C@@H](Sc1nnc(NCc2ccccc2)s1)C(=O)[O-] ZINC001594928505 982538395 /nfs/dbraw/zinc/53/83/95/982538395.db2.gz JIHRHSWLTGWXML-ZYHUDNBSSA-N -1 0 337.470 3.742 20 0 EHADRM CCCCOc1ccc(NC(=O)CCc2ccccc2C(=O)[O-])cn1 ZINC001595775772 982542049 /nfs/dbraw/zinc/54/20/49/982542049.db2.gz WANYENGYHNBMEI-UHFFFAOYSA-N -1 0 342.395 3.530 20 0 EHADRM CCCCOc1cccc(NC(=O)NCC(CC)(CC)C(=O)[O-])c1 ZINC001595781089 982558487 /nfs/dbraw/zinc/55/84/87/982558487.db2.gz QLXFRZRRTBNQAB-UHFFFAOYSA-N -1 0 336.432 3.878 20 0 EHADRM CCCCc1ccc([C@H](NC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C(C)C)cc1 ZINC001595793129 982594830 /nfs/dbraw/zinc/59/48/30/982594830.db2.gz FHTWILSXUSXVSB-FGTMMUONSA-N -1 0 331.456 3.953 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC001594937192 982598407 /nfs/dbraw/zinc/59/84/07/982598407.db2.gz RXHRKBQCYPXWFI-QAPCUYQASA-N -1 0 339.435 3.824 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CC2(CCC2)c2c1cccc2F ZINC000911695478 982603014 /nfs/dbraw/zinc/60/30/14/982603014.db2.gz FZQNGBSESSCHRS-UHFFFAOYSA-N -1 0 329.327 3.507 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)CSc1ccc2ccccc2c1)C(=O)[O-] ZINC001594942007 982616489 /nfs/dbraw/zinc/61/64/89/982616489.db2.gz IWECHPHIHHRKJU-GUYCJALGSA-N -1 0 345.464 3.938 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)CSc1ccc(C(C)C)cc1)C(=O)[O-] ZINC001594942495 982620183 /nfs/dbraw/zinc/62/01/83/982620183.db2.gz QPBNANYWCWEMFA-CZUORRHYSA-N -1 0 337.485 3.908 20 0 EHADRM Cc1ccc(F)c(CC(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)c1 ZINC000911738448 982620436 /nfs/dbraw/zinc/62/04/36/982620436.db2.gz UPVJAWPKGLMIQR-UHFFFAOYSA-N -1 0 345.370 3.801 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)c1sc2ccc(F)cc2c1C)C(=O)[O-] ZINC001594949483 982649092 /nfs/dbraw/zinc/64/90/92/982649092.db2.gz BKUPBSMXSAJENU-ZANVPECISA-N -1 0 337.416 3.968 20 0 EHADRM COc1ccc(SCCC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000914729557 982655411 /nfs/dbraw/zinc/65/54/11/982655411.db2.gz VTAZMCLIWKYNKN-UHFFFAOYSA-N -1 0 349.383 3.653 20 0 EHADRM CCCN(C(=O)[C@H](C)c1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)[O-] ZINC001595814274 982658191 /nfs/dbraw/zinc/65/81/91/982658191.db2.gz QMYQXQPFMMFGBJ-ZJUUUORDSA-N -1 0 332.227 3.809 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cc(-c2cccc(F)c2)no1 ZINC000915150238 982664477 /nfs/dbraw/zinc/66/44/77/982664477.db2.gz SKVGVLBWKIABPN-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cnc(-c3ccccc3)s2)ccc1F ZINC000915855115 982669524 /nfs/dbraw/zinc/66/95/24/982669524.db2.gz KABFCWOFQLMUDZ-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM Cc1oc(-c2cccs2)nc1C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000915854883 982669582 /nfs/dbraw/zinc/66/95/82/982669582.db2.gz AQWMGJFFWZFOJY-UHFFFAOYSA-N -1 0 342.376 3.970 20 0 EHADRM CC[C@@H](C)CCC(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC001594953859 982682770 /nfs/dbraw/zinc/68/27/70/982682770.db2.gz XFHAMRZZFHVRFZ-GFCCVEGCSA-N -1 0 327.371 3.594 20 0 EHADRM CC(C)C[C@H](NC(=O)C[C@@]1(C(=O)[O-])CCSC1)c1cccs1 ZINC000064611358 1014868277 /nfs/dbraw/zinc/86/82/77/1014868277.db2.gz XXSFADQYLOOWIZ-LRDDRELGSA-N -1 0 341.498 3.550 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C[C@@H]1C[C@H]1Cc1ccccc1)c1cccs1 ZINC000923044284 982697574 /nfs/dbraw/zinc/69/75/74/982697574.db2.gz MIWFBOJCLLOJKM-PMPSAXMXSA-N -1 0 343.448 3.649 20 0 EHADRM CC[C@H](C)CCCCC(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC001594958564 982698352 /nfs/dbraw/zinc/69/83/52/982698352.db2.gz CRJBLRASOABNGJ-XQQFMLRXSA-N -1 0 337.382 3.705 20 0 EHADRM CC[C@H](C)CCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001594958535 982698818 /nfs/dbraw/zinc/69/88/18/982698818.db2.gz CHGSATRMQAXJQE-KBXCAEBGSA-N -1 0 344.455 3.886 20 0 EHADRM CC[C@@H](C)CCCCC(=O)Nc1c(C(=O)[O-])nnn1-c1ccccc1 ZINC001594959553 982707788 /nfs/dbraw/zinc/70/77/88/982707788.db2.gz XVLDOWPFLBKDCN-CYBMUJFWSA-N -1 0 344.415 3.511 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1ccsc1C(F)F ZINC000923080008 982710728 /nfs/dbraw/zinc/71/07/28/982710728.db2.gz VKBZEWRHWPOQFK-SNVBAGLBSA-N -1 0 339.363 3.801 20 0 EHADRM CC[C@H](C)CN(C)C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001594960994 982713274 /nfs/dbraw/zinc/71/32/74/982713274.db2.gz RZGXSHHETXOXJP-AWEZNQCLSA-N -1 0 347.459 3.885 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)CCCOCc1ccccc1 ZINC000923091435 982717506 /nfs/dbraw/zinc/71/75/06/982717506.db2.gz JDPKLLHQDXQWST-UHFFFAOYSA-N -1 0 333.409 3.690 20 0 EHADRM CC[C@H](C)CONC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001594965536 982722362 /nfs/dbraw/zinc/72/23/62/982722362.db2.gz WKGLNYUBMHNQCI-ZDUSSCGKSA-N -1 0 327.380 3.759 20 0 EHADRM Cc1c(NC(=O)[C@]2(C)C=CCC2)cc(Br)cc1C(=O)[O-] ZINC000923098258 982722499 /nfs/dbraw/zinc/72/24/99/982722499.db2.gz TYZXVMARYHIFNZ-OAHLLOKOSA-N -1 0 338.201 3.751 20 0 EHADRM CC[C@H](C)N(C)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1C ZINC001594967320 982727597 /nfs/dbraw/zinc/72/75/97/982727597.db2.gz POYKIXQXZIVAAR-QMMMGPOBSA-N -1 0 343.221 3.718 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc(Oc2cccc(C)c2)cn1 ZINC001594977121 982754515 /nfs/dbraw/zinc/75/45/15/982754515.db2.gz FPWXTUCNOVXVJG-CQSZACIVSA-N -1 0 342.395 3.508 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCCc1csc2ccccc12 ZINC000923154261 982768711 /nfs/dbraw/zinc/76/87/11/982768711.db2.gz MMOOZLFBVMUHJY-ZIAGYGMSSA-N -1 0 345.464 3.936 20 0 EHADRM CCCN(CC(C)(C)O)C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC001595863202 982806196 /nfs/dbraw/zinc/80/61/96/982806196.db2.gz WNTCIJQLPVWJTO-UHFFFAOYSA-N -1 0 336.432 3.523 20 0 EHADRM O=C([O-])[C@H](CNC(=O)C1CCC(F)(F)CC1)C1CCCCCC1 ZINC000923176555 982827539 /nfs/dbraw/zinc/82/75/39/982827539.db2.gz PKWRHMXKYLWMAF-CQSZACIVSA-N -1 0 331.403 3.599 20 0 EHADRM CCCN(CC)c1ccc(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)cc1 ZINC001595869454 982848388 /nfs/dbraw/zinc/84/83/88/982848388.db2.gz VTKZGXGJZTZXON-MRXNPFEDSA-N -1 0 334.460 3.542 20 0 EHADRM COc1cc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc2ccccc21 ZINC000923220132 982851857 /nfs/dbraw/zinc/85/18/57/982851857.db2.gz OROGKBVDDMSQKU-ZIAGYGMSSA-N -1 0 327.380 3.678 20 0 EHADRM CCCN(CC1CCCCC1)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001595870584 982854623 /nfs/dbraw/zinc/85/46/23/982854623.db2.gz QEPLNOLNMYGKRP-UHFFFAOYSA-N -1 0 346.471 3.929 20 0 EHADRM CCCN(Cc1ccc(F)cc1)C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001595887811 982915896 /nfs/dbraw/zinc/91/58/96/982915896.db2.gz DIENBPXYLFXFGS-UHFFFAOYSA-N -1 0 329.371 3.885 20 0 EHADRM CCCN(Cc1ccccc1F)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001595891655 982927110 /nfs/dbraw/zinc/92/71/10/982927110.db2.gz YLKVILKTRWCLAC-UHFFFAOYSA-N -1 0 330.359 3.968 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)NC(CC)(CC)CC(=O)[O-])cc1 ZINC001595009136 982932709 /nfs/dbraw/zinc/93/27/09/982932709.db2.gz FQLKDHKUMFHULM-ZDUSSCGKSA-N -1 0 341.473 3.512 20 0 EHADRM COc1ccc2cc(C(=O)N3C[C@@H](C(=O)[O-])c4ccccc43)ccc2c1 ZINC001116906830 982937108 /nfs/dbraw/zinc/93/71/08/982937108.db2.gz WGQWLGFOOULIMY-GOSISDBHSA-N -1 0 347.370 3.677 20 0 EHADRM Cc1cc(C)c(-c2csc(NC(=O)CCCC(=O)[O-])n2)c(C)c1 ZINC001118222594 982946351 /nfs/dbraw/zinc/94/63/51/982946351.db2.gz AVIGSLBSZWZJJQ-UHFFFAOYSA-N -1 0 332.425 3.929 20 0 EHADRM CCCOc1ccc(CCC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001595954164 983135404 /nfs/dbraw/zinc/13/54/04/983135404.db2.gz FBHPZUKRRMUURA-LJQANCHMSA-N -1 0 347.455 3.558 20 0 EHADRM CCCOc1ccc(NC(=O)NCC(C)(C)C(=O)[O-])cc1C(C)C ZINC001595960128 983148887 /nfs/dbraw/zinc/14/88/87/983148887.db2.gz AJCOWELRGILSEJ-UHFFFAOYSA-N -1 0 336.432 3.831 20 0 EHADRM CCC[C@@H](NC(=O)c1ccc(O[C@H](C)c2ccccc2)cc1)C(=O)[O-] ZINC001595998090 983253937 /nfs/dbraw/zinc/25/39/37/983253937.db2.gz DTMTXSANWJCZLN-RDTXWAMCSA-N -1 0 341.407 3.810 20 0 EHADRM CCCc1c(C(=O)NCCc2ccc(Cl)cc2)[nH]c(C)c1C(=O)[O-] ZINC001596038022 983325333 /nfs/dbraw/zinc/32/53/33/983325333.db2.gz UZOVDIJDUCUUAV-UHFFFAOYSA-N -1 0 348.830 3.600 20 0 EHADRM CCCc1c(C(=O)N[C@H](C)c2ccc(F)cc2C)[nH]c(C)c1C(=O)[O-] ZINC001596045638 983334545 /nfs/dbraw/zinc/33/45/45/983334545.db2.gz JBPRQQJVSBQYAG-LLVKDONJSA-N -1 0 346.402 3.912 20 0 EHADRM CCCc1c(N[C@H]2CC[C@@H](C(=O)[O-])C2)cnn1-c1cccc(C)c1 ZINC001596050449 983348612 /nfs/dbraw/zinc/34/86/12/983348612.db2.gz IKLXCKKCZNOFEB-CABCVRRESA-N -1 0 327.428 3.798 20 0 EHADRM CCCc1ccc(C(=O)N[C@@](C)(Cc2ccc(F)cc2)C(=O)[O-])cc1 ZINC001596060882 983371110 /nfs/dbraw/zinc/37/11/10/983371110.db2.gz YVNZUYRIBJHVGF-FQEVSTJZSA-N -1 0 343.398 3.594 20 0 EHADRM CCCc1cnc(NC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)s1 ZINC001596081956 983397220 /nfs/dbraw/zinc/39/72/20/983397220.db2.gz HCNGMAWZVQBLSI-JTQLQIEISA-N -1 0 333.413 3.928 20 0 EHADRM CCCc1noc(CSCc2ccc(C(=O)[O-])c(Cl)c2)n1 ZINC001596101276 983425141 /nfs/dbraw/zinc/42/51/41/983425141.db2.gz JTCNKFOJQKTWQA-UHFFFAOYSA-N -1 0 326.805 3.807 20 0 EHADRM CCCn1ccc2ccc(NC(=O)c3ccsc3CC(=O)[O-])cc21 ZINC001596115826 983446057 /nfs/dbraw/zinc/44/60/57/983446057.db2.gz JSDSAZCZKZESSK-UHFFFAOYSA-N -1 0 342.420 3.992 20 0 EHADRM CCN(C(=O)CC1(CC(=O)[O-])CCCC1)[C@H](C)Cc1ccsc1 ZINC001596134421 983483660 /nfs/dbraw/zinc/48/36/60/983483660.db2.gz YUJXFONIGJRXJQ-CQSZACIVSA-N -1 0 337.485 3.953 20 0 EHADRM CCN(C(=O)/C=C\c1ccc2cc(OC)ccc2c1)C(C)(C)C(=O)[O-] ZINC001596134436 983483688 /nfs/dbraw/zinc/48/36/88/983483688.db2.gz ZCMASWATYHBTKU-XFFZJAGNSA-N -1 0 341.407 3.573 20 0 EHADRM CCN(C(=O)Nc1ccc(CC(=O)[O-])cc1)[C@@H](C)Cc1ccsc1 ZINC001596150811 983511398 /nfs/dbraw/zinc/51/13/98/983511398.db2.gz PKSQGXQSIPEHCZ-ZDUSSCGKSA-N -1 0 346.452 3.860 20 0 EHADRM CCN(C(=O)c1cc(F)cc(C(=O)[O-])c1)[C@H](C)c1cccc(OC)c1 ZINC001596164112 983526060 /nfs/dbraw/zinc/52/60/60/983526060.db2.gz CXNCFUUSNASLLA-GFCCVEGCSA-N -1 0 345.370 3.756 20 0 EHADRM CCN(CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)Cc1cccc(Cl)c1 ZINC001596228965 983620892 /nfs/dbraw/zinc/62/08/92/983620892.db2.gz YVUYWWJABWPHRU-UHFFFAOYSA-N -1 0 348.830 3.688 20 0 EHADRM CCN(Cc1occc1C)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001596380424 983901643 /nfs/dbraw/zinc/90/16/43/983901643.db2.gz HHOQBSZRTFGDHH-UHFFFAOYSA-N -1 0 341.367 3.822 20 0 EHADRM CCNC(=O)Nc1ccc(C)c(N[C@@H](C(=O)[O-])c2ccccc2C)c1 ZINC001596473077 984197270 /nfs/dbraw/zinc/19/72/70/984197270.db2.gz BRZAIPSDILERFP-QGZVFWFLSA-N -1 0 341.411 3.683 20 0 EHADRM CCNC(=O)c1cccc(N[C@H]2CCCc3ccc(C(=O)[O-])cc32)c1 ZINC001596489589 984227406 /nfs/dbraw/zinc/22/74/06/984227406.db2.gz ILXCIVANKDLOQO-SFHVURJKSA-N -1 0 338.407 3.624 20 0 EHADRM O=C(Nc1cccc(-n2cc[nH]c2=S)c1)c1c([O-])cc(F)cc1F ZINC000066044255 1015018915 /nfs/dbraw/zinc/01/89/15/1015018915.db2.gz HYWMXJAXOUEQTK-UHFFFAOYSA-N -1 0 347.346 3.771 20 0 EHADRM C=Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)cc1 ZINC001588919756 984574177 /nfs/dbraw/zinc/57/41/77/984574177.db2.gz OERCITOTJJRTNJ-UHFFFAOYSA-N -1 0 333.290 3.882 20 0 EHADRM C/C(=C/C(=O)N(CC(=O)[O-])C1CCCCC1)c1cccc(Cl)c1 ZINC001588933493 984612672 /nfs/dbraw/zinc/61/26/72/984612672.db2.gz UMDHGGRFYGYQFV-RAXLEYEMSA-N -1 0 335.831 3.989 20 0 EHADRM C/C(=C\C(=O)N1c2ccccc2C[C@H](C)[C@@H]1C(=O)[O-])c1cccs1 ZINC001588938946 984625602 /nfs/dbraw/zinc/62/56/02/984625602.db2.gz IRFZKXWFURILBL-DISDOXMVSA-N -1 0 341.432 3.830 20 0 EHADRM C/C(=C\C(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F)c1ccccc1C ZINC001588939080 984626705 /nfs/dbraw/zinc/62/67/05/984626705.db2.gz LDDDWOIJMHSVSX-PEKVBPLLSA-N -1 0 345.345 3.619 20 0 EHADRM C/C(=C/C(=O)NC[C@@H](C(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC001588939320 984628675 /nfs/dbraw/zinc/62/86/75/984628675.db2.gz VDPGUCIJGDWHQD-OJNOIJSXSA-N -1 0 343.810 3.728 20 0 EHADRM C/C(=C/C(=O)N[C@H](CC(=O)[O-])C1CCCC1)c1cccc(Cl)c1 ZINC001588939896 984631948 /nfs/dbraw/zinc/63/19/48/984631948.db2.gz UZRVSFUFGRYNDX-HMWXGYMHSA-N -1 0 335.831 3.893 20 0 EHADRM C/C(=C\C(=O)N[C@H](CC(=O)[O-])C1CCCC1)c1cccc(Cl)c1 ZINC001588939897 984632069 /nfs/dbraw/zinc/63/20/69/984632069.db2.gz UZRVSFUFGRYNDX-ONOODXEBSA-N -1 0 335.831 3.893 20 0 EHADRM C[C@H](C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])c1ccccc1 ZINC001599885922 984636553 /nfs/dbraw/zinc/63/65/53/984636553.db2.gz VBHOHNKWHYPTEU-YOEHRIQHSA-N -1 0 325.408 3.758 20 0 EHADRM C/C(=C\C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)c1ccco1 ZINC001588943899 984642790 /nfs/dbraw/zinc/64/27/90/984642790.db2.gz HTXUNEQDNUEKKX-VQHVLOKHSA-N -1 0 337.278 3.621 20 0 EHADRM C/C(=C\C(=O)Nc1cc(CCC(=O)[O-])ccc1O)c1ccc(F)cc1 ZINC001588944139 984645159 /nfs/dbraw/zinc/64/51/59/984645159.db2.gz QEDGHCVCDRWFTD-ZRDIBKRKSA-N -1 0 343.354 3.591 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)Nc1ccc(SC(C)(C)C)c(F)c1 ZINC001599887411 984653224 /nfs/dbraw/zinc/65/32/24/984653224.db2.gz ICTILSWHEVUYCL-SECBINFHSA-N -1 0 328.409 3.701 20 0 EHADRM C/C(=C\C1CCC(C)CC1)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC001588955962 984700302 /nfs/dbraw/zinc/70/03/02/984700302.db2.gz FEJGEMJYWQZQAS-BRASNTLRSA-N -1 0 329.440 3.571 20 0 EHADRM C/C(=C/C1CCC(C)CC1)C(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC001588956405 984703719 /nfs/dbraw/zinc/70/37/19/984703719.db2.gz NUYLPGMIVNHPHB-ZQVLHWILSA-N -1 0 333.403 3.840 20 0 EHADRM C/C(=C/C(C)(C)C)C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001588956685 984707343 /nfs/dbraw/zinc/70/73/43/984707343.db2.gz XXXQELAVYWGRMA-SEYXRHQNSA-N -1 0 330.428 3.916 20 0 EHADRM C[C@H](NC(=O)NCc1ccc(C(=O)[O-])s1)c1ccc(Cl)cc1 ZINC001599894169 984732347 /nfs/dbraw/zinc/73/23/47/984732347.db2.gz PRMGSCJKXQCKSW-VIFPVBQESA-N -1 0 338.816 3.660 20 0 EHADRM C[C@H](NC(=O)NCC1(CC(=O)[O-])CCCC1)c1ccccc1Cl ZINC001599894328 984734095 /nfs/dbraw/zinc/73/40/95/984734095.db2.gz SDNZVSLMWBQKGE-LBPRGKRZSA-N -1 0 338.835 3.735 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(OCC(=O)[O-])cc1)C1CCCCCC1 ZINC001599895215 984744720 /nfs/dbraw/zinc/74/47/20/984744720.db2.gz UQHQOYXMWMULGM-ZDUSSCGKSA-N -1 0 334.416 3.630 20 0 EHADRM C[C@H](OC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1cc(Cl)ccc1F ZINC001599904033 984899764 /nfs/dbraw/zinc/89/97/64/984899764.db2.gz YOSLWTIFNUJUPK-AXFHLTTASA-N -1 0 328.767 3.974 20 0 EHADRM C[C@H](OC(=O)c1ccc2c(c1)CCCC2=O)c1ccc(C(=O)[O-])cc1 ZINC001599904215 984901338 /nfs/dbraw/zinc/90/13/38/984901338.db2.gz OICVNDBWZLEUIF-LBPRGKRZSA-N -1 0 338.359 3.822 20 0 EHADRM C[C@H](OC(=O)c1ccnc(C(F)(F)F)c1)c1ccc(C(=O)[O-])cc1 ZINC001599906503 984929470 /nfs/dbraw/zinc/92/94/70/984929470.db2.gz LHLOMPNDACPTIA-VIFPVBQESA-N -1 0 339.269 3.717 20 0 EHADRM C/C(=C\c1c(Cl)cccc1Cl)C(=O)NC1(CC(=O)[O-])CC1 ZINC001588995974 984930945 /nfs/dbraw/zinc/93/09/45/984930945.db2.gz YKDSZJOAXUZXKK-VQHVLOKHSA-N -1 0 328.195 3.520 20 0 EHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC001588997682 984931995 /nfs/dbraw/zinc/93/19/95/984931995.db2.gz AEMKJIGVGILAEM-NTMALXAHSA-N -1 0 331.755 3.786 20 0 EHADRM CCOC(=O)c1cc2cc(NC(=O)C[C@@H](C)CC(=O)[O-])ccc2s1 ZINC001596715229 984945753 /nfs/dbraw/zinc/94/57/53/984945753.db2.gz SSODGFAZXDAMAE-SNVBAGLBSA-N -1 0 349.408 3.517 20 0 EHADRM C[C@H]1CC[C@@](C)(C(=O)N2CCC(c3cc(C(=O)[O-])on3)CC2)C1(C)C ZINC001599908413 984953123 /nfs/dbraw/zinc/95/31/23/984953123.db2.gz ZBTQYCMUGOXJIW-BUXKBTBVSA-N -1 0 348.443 3.541 20 0 EHADRM C/C(=C\c1ccccc1Cl)C(=O)N[C@H](CC(=O)[O-])C1CCCC1 ZINC001589003481 984953274 /nfs/dbraw/zinc/95/32/74/984953274.db2.gz BBSLNVGYVBKTSI-YBHKSSGVSA-N -1 0 335.831 3.893 20 0 EHADRM C/C(=C/c1ccncc1)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001589010898 984984187 /nfs/dbraw/zinc/98/41/87/984984187.db2.gz SFPFKRUYCPQJAF-RAXLEYEMSA-N -1 0 332.359 3.975 20 0 EHADRM CC(=O)[C@@H](C)CCCCC(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001589022887 985019621 /nfs/dbraw/zinc/01/96/21/985019621.db2.gz HABIISNLVYXRDM-VIFPVBQESA-N -1 0 325.430 3.787 20 0 EHADRM C[C@H]1CN(C(=O)N[C@@H](CC2CCC2)c2ccccc2)C[C@]1(C)C(=O)[O-] ZINC001599917917 985085777 /nfs/dbraw/zinc/08/57/77/985085777.db2.gz YSJNODCHIKMIEC-VHFSOBRXSA-N -1 0 344.455 3.670 20 0 EHADRM CCO[C@@H](CC(=O)OCc1ccc(C(=O)[O-])c(Cl)c1)C(C)C ZINC001596782164 985238323 /nfs/dbraw/zinc/23/83/23/985238323.db2.gz LUKOYTKCFFVFHZ-AWEZNQCLSA-N -1 0 328.792 3.533 20 0 EHADRM CC(=O)NC1CCC(Nc2c(Cl)cc(Cl)cc2C(=O)[O-])CC1 ZINC001589120138 985386262 /nfs/dbraw/zinc/38/62/62/985386262.db2.gz QYRSZIWQGSHYKL-UHFFFAOYSA-N -1 0 345.226 3.551 20 0 EHADRM Cc1[nH]c(-c2ccccc2)nc1C(=O)OC1CCC(CC(=O)[O-])CC1 ZINC001599941037 985454682 /nfs/dbraw/zinc/45/46/82/985454682.db2.gz FAXFVZYUYZQMCK-UHFFFAOYSA-N -1 0 342.395 3.575 20 0 EHADRM C[C@@H]1[C@H](C)CN(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)[C@H]1C ZINC001594479166 985511427 /nfs/dbraw/zinc/51/14/27/985511427.db2.gz UJWDUUCAWHYCNK-HLTSFMKQSA-N -1 0 328.771 3.686 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CCC1(F)F ZINC001594479571 985517950 /nfs/dbraw/zinc/51/79/50/985517950.db2.gz LTIYHYGFVZZCPT-QMMMGPOBSA-N -1 0 332.734 3.547 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)Cc2ccccc21 ZINC001594481270 985525764 /nfs/dbraw/zinc/52/57/64/985525764.db2.gz VCELURDAWNHTOK-AWEZNQCLSA-N -1 0 338.407 3.855 20 0 EHADRM Cc1[nH]c(C(=O)N(C)[C@H](C)c2cccc(Cl)c2)c(C)c1C(=O)[O-] ZINC001599949484 985584245 /nfs/dbraw/zinc/58/42/45/985584245.db2.gz GPHPOSDVNDFASV-LLVKDONJSA-N -1 0 334.803 3.816 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])ccc2Cl)c2ccc(F)cc2O1 ZINC001594488668 985585020 /nfs/dbraw/zinc/58/50/20/985585020.db2.gz HQLDWBSGKJLJDT-SECBINFHSA-N -1 0 349.745 3.605 20 0 EHADRM CCO[C@H]1CCCN(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])C1 ZINC001596854854 985602587 /nfs/dbraw/zinc/60/25/87/985602587.db2.gz IRPUOESNAUTOMW-AWEZNQCLSA-N -1 0 334.416 3.541 20 0 EHADRM Cc1[nH]c(C(=O)N(c2ccccc2)[C@@H](C)C2CC2)c(C)c1C(=O)[O-] ZINC001599951238 985611504 /nfs/dbraw/zinc/61/15/04/985611504.db2.gz OWWGXJSIVAVRQK-ZDUSSCGKSA-N -1 0 326.396 3.775 20 0 EHADRM Cc1[nH]c(C(=O)NC[C@H](Cc2ccccc2)C(C)C)c(C)c1C(=O)[O-] ZINC001599952583 985634844 /nfs/dbraw/zinc/63/48/44/985634844.db2.gz ILTXEWZDDPPTIB-INIZCTEOSA-N -1 0 342.439 3.574 20 0 EHADRM C[C@@H]1CN(CC(=O)c2c[nH]c3ccc(C(=O)[O-])cc23)Cc2ccccc21 ZINC001594505472 985712774 /nfs/dbraw/zinc/71/27/74/985712774.db2.gz DKQJSSDXALCCTO-CYBMUJFWSA-N -1 0 348.402 3.668 20 0 EHADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1CC[C@H](C)Sc2ccccc21 ZINC001599961216 985784199 /nfs/dbraw/zinc/78/41/99/985784199.db2.gz YBWIKINMRTURRI-NSHDSACASA-N -1 0 344.436 3.595 20 0 EHADRM Cc1[nH]c(CN2C[C@H](c3cccc(Cl)c3)OC[C@@H]2C)cc1C(=O)[O-] ZINC001599961391 985788541 /nfs/dbraw/zinc/78/85/41/985788541.db2.gz DXZUEUWTWWXRNM-APPDUMDISA-N -1 0 348.830 3.637 20 0 EHADRM Cc1[nH]c(CN[C@H](c2cccc(Cl)c2)C(F)F)cc1C(=O)[O-] ZINC001599964463 985871021 /nfs/dbraw/zinc/87/10/21/985871021.db2.gz JHVWHAWPTISDQZ-CYBMUJFWSA-N -1 0 328.746 3.771 20 0 EHADRM Cc1[nH]c2ccc(CNC(=O)Nc3cccc(C(=O)[O-])c3)cc2c1C ZINC001599964915 985884255 /nfs/dbraw/zinc/88/42/55/985884255.db2.gz AVSIMIABMNAXIG-UHFFFAOYSA-N -1 0 337.379 3.805 20 0 EHADRM CC(=O)c1c(F)cccc1N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC001589254828 985886499 /nfs/dbraw/zinc/88/64/99/985886499.db2.gz NNPQUHPOWQNYTA-UHFFFAOYSA-N -1 0 348.399 3.567 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])[nH]c1NC(=O)/C=C\[C@]1(C)CC[C@H](C)C1(C)C ZINC001589261298 985920661 /nfs/dbraw/zinc/92/06/61/985920661.db2.gz FZCMPYNBWONILK-MDHILYJESA-N -1 0 346.427 3.873 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)[C@@H]1[C@H](C)[C@@H]1c1ccccc1 ZINC001589264197 985933075 /nfs/dbraw/zinc/93/30/75/985933075.db2.gz FBELNTAYIKPZAX-HWOJHCLVSA-N -1 0 338.359 3.543 20 0 EHADRM Cc1c(=O)[nH]c(SCc2occc2C(=O)[O-])nc1-c1ccccc1 ZINC001599969705 985983130 /nfs/dbraw/zinc/98/31/30/985983130.db2.gz REGFAGXCBOJSRC-UHFFFAOYSA-N -1 0 342.376 3.741 20 0 EHADRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)C1(F)CCCC1 ZINC001599970836 986003057 /nfs/dbraw/zinc/00/30/57/986003057.db2.gz FAMBTIMTUKQGAR-UHFFFAOYSA-N -1 0 344.180 3.677 20 0 EHADRM CC(=O)c1ccc2ccccc2c1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001589306593 986074686 /nfs/dbraw/zinc/07/46/86/986074686.db2.gz XWMSJPRILWGBAI-LSDHHAIUSA-N -1 0 339.391 3.872 20 0 EHADRM Cc1c(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)ccn1C(C)C ZINC001599978723 986131467 /nfs/dbraw/zinc/13/14/67/986131467.db2.gz LHHITMLVQSCJCU-MRXNPFEDSA-N -1 0 348.830 3.977 20 0 EHADRM C[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2F)c2cccc(Cl)c2O1 ZINC001594538248 986165639 /nfs/dbraw/zinc/16/56/39/986165639.db2.gz ZRAZETKNGKLXEN-SNVBAGLBSA-N -1 0 335.762 3.965 20 0 EHADRM Cc1c(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)ccn1C(C)C ZINC001599984004 986205015 /nfs/dbraw/zinc/20/50/15/986205015.db2.gz WGVOVLCLFATAHV-CYBMUJFWSA-N -1 0 328.412 3.893 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)[C@H](C)CC(F)(F)F)ccc2n1C ZINC001599985710 986224571 /nfs/dbraw/zinc/22/45/71/986224571.db2.gz WJWBFKMNQCHOSX-MRVPVSSYSA-N -1 0 343.301 3.679 20 0 EHADRM C[C@H](C(=O)N(Cc1ccccc1)C(C)(C)C(=O)[O-])c1ccsc1 ZINC001589341798 986257022 /nfs/dbraw/zinc/25/70/22/986257022.db2.gz BKWBEBHXLZQIDC-ZDUSSCGKSA-N -1 0 331.437 3.744 20 0 EHADRM C[C@H](C(=O)N([C@@H](C)C(=O)[O-])C1CCC1)c1ccccc1C(F)(F)F ZINC001589342198 986265183 /nfs/dbraw/zinc/26/51/83/986265183.db2.gz ZKHMCPFWWURZJJ-QWRGUYRKSA-N -1 0 343.345 3.663 20 0 EHADRM Cc1ccc(-c2nc(C[N@H+]3C[C@H](C(=O)[O-])CC[C@H]3C)cs2)cc1 ZINC000263521903 1125495916 /nfs/dbraw/zinc/49/59/16/1125495916.db2.gz RIMQPPSANQHSJR-UKRRQHHQSA-N -1 0 330.453 3.804 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)/C=C/C=C(Cl)Cl ZINC001597016376 986380246 /nfs/dbraw/zinc/38/02/46/986380246.db2.gz YUOZRJOSGKTZKV-HWKANZROSA-N -1 0 330.167 3.597 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@H]1CCCC(C)(C)C1 ZINC001597021207 986409997 /nfs/dbraw/zinc/40/99/97/986409997.db2.gz IRANWEPLTQMPES-ZDUSSCGKSA-N -1 0 334.416 3.874 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NCCC1CCCCC1 ZINC001597022475 986420865 /nfs/dbraw/zinc/42/08/65/986420865.db2.gz TYHYGCAVCWOEEE-UHFFFAOYSA-N -1 0 334.416 3.875 20 0 EHADRM CCOc1cc(C)ccc1N[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001597032749 986457860 /nfs/dbraw/zinc/45/78/60/986457860.db2.gz QXVSGZDUJFOVLT-CYBMUJFWSA-N -1 0 344.411 3.720 20 0 EHADRM CC(C(=O)N[C@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-])=C1CCC1 ZINC001589386430 986486175 /nfs/dbraw/zinc/48/61/75/986486175.db2.gz XEDZKBPJVRRCBH-FUHWJXTLSA-N -1 0 327.424 3.566 20 0 EHADRM CCOc1cc(NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)ccc1C ZINC001597043058 986498304 /nfs/dbraw/zinc/49/83/04/986498304.db2.gz KPIOOXVYNYEJBF-UHFFFAOYSA-N -1 0 332.331 3.875 20 0 EHADRM C[C@H](C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21)c1ccncc1 ZINC001589422641 986666961 /nfs/dbraw/zinc/66/69/61/986666961.db2.gz MFNCLJNCLYLRHD-IFXJQAMLSA-N -1 0 348.402 3.671 20 0 EHADRM C[C@H]1N(C(=O)NCc2ccc(C(=O)[O-])s2)c2ccccc2C1(C)C ZINC001594627329 986698119 /nfs/dbraw/zinc/69/81/19/986698119.db2.gz SVDSKBJPZIEHSX-LLVKDONJSA-N -1 0 344.436 3.842 20 0 EHADRM C[C@@H]1OCC[C@@H]1C(=O)Nc1sc(C2CCCCC2)cc1C(=O)[O-] ZINC001594643205 986815563 /nfs/dbraw/zinc/81/55/63/986815563.db2.gz DNCCWGLUHMTGRK-JQWIXIFHSA-N -1 0 337.441 3.858 20 0 EHADRM CCOc1ccc(NC(=O)c2cc(F)cc(C(=O)[O-])c2)cc1OCC ZINC001597122705 986820241 /nfs/dbraw/zinc/82/02/41/986820241.db2.gz JZHMTQYOPFDOJN-UHFFFAOYSA-N -1 0 347.342 3.574 20 0 EHADRM CCOc1ccc(NC(=O)c2cc(C(=O)[O-])co2)c(C(F)(F)F)c1 ZINC001597123433 986825452 /nfs/dbraw/zinc/82/54/52/986825452.db2.gz RKMMBZLSNCYEPO-UHFFFAOYSA-N -1 0 343.257 3.648 20 0 EHADRM CCOc1ccc(O[C@H](C)c2nnc(-c3cc(C(=O)[O-])co3)o2)cc1 ZINC001597129567 986839923 /nfs/dbraw/zinc/83/99/23/986839923.db2.gz DSHHRHGWAZCYNY-SNVBAGLBSA-N -1 0 344.323 3.567 20 0 EHADRM C[C@H]1Oc2ccccc2[C@@H]1NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001594654673 986885977 /nfs/dbraw/zinc/88/59/77/986885977.db2.gz INLHAMJAFYZNKF-RFAUZJTJSA-N -1 0 346.770 3.682 20 0 EHADRM CCOc1ccc([C@H](C)OC(=O)c2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC001597142748 986891711 /nfs/dbraw/zinc/89/17/11/986891711.db2.gz JIQXWTQZQBHDOZ-ZKQHCESOSA-N -1 0 330.336 3.694 20 0 EHADRM CCOc1ccc2ccccc2c1OC(=O)c1ccc(C(=O)[O-])o1 ZINC001597144225 986902984 /nfs/dbraw/zinc/90/29/84/986902984.db2.gz SJIHMTVKLCPGLE-UHFFFAOYSA-N -1 0 326.304 3.749 20 0 EHADRM CCOc1ccc2[nH]c(SC[C@H]3CCCC[C@H]3C(=O)[O-])nc2c1 ZINC001597145971 986909001 /nfs/dbraw/zinc/90/90/01/986909001.db2.gz QCFCXUOAOUCVJN-DGCLKSJQSA-N -1 0 334.441 3.945 20 0 EHADRM CCOc1cccc(NC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c1 ZINC001597161990 986970097 /nfs/dbraw/zinc/97/00/97/986970097.db2.gz RMKCKQJXMVLNSV-DLBZAZTESA-N -1 0 340.379 3.917 20 0 EHADRM CC/C(=C/C(=O)Nc1c(C(=O)[O-])c(C)nn1C)c1cccc(Cl)c1 ZINC001594690851 987084607 /nfs/dbraw/zinc/08/46/07/987084607.db2.gz KBOGNDFXBITTSU-LUAWRHEFSA-N -1 0 347.802 3.512 20 0 EHADRM CCC(=CC(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-])CC ZINC001594691389 987090739 /nfs/dbraw/zinc/09/07/39/987090739.db2.gz SNCOICZOQYIYPV-LJQANCHMSA-N -1 0 339.435 3.946 20 0 EHADRM CCOc1ncccc1C(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001597200871 987103131 /nfs/dbraw/zinc/10/31/31/987103131.db2.gz VNACJIPNNYYQHY-UHFFFAOYSA-N -1 0 342.376 3.646 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)Cc2ccc(F)c(Cl)c2)cc1 ZINC001589505283 987119437 /nfs/dbraw/zinc/11/94/37/987119437.db2.gz STRQEXTVZCSYJX-JTQLQIEISA-N -1 0 335.762 3.848 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NC(C)(C)CC(F)(F)F)cc1 ZINC001589509411 987133012 /nfs/dbraw/zinc/13/30/12/987133012.db2.gz PUQSFDPRDOFUFB-VIFPVBQESA-N -1 0 332.322 3.727 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NCC(F)(F)C(C)(C)C)cc1 ZINC001589513524 987159642 /nfs/dbraw/zinc/15/96/42/987159642.db2.gz VOZRUIHPRVRPHC-JTQLQIEISA-N -1 0 328.359 3.678 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cnnc(-c3ccccc3)c2)cc1 ZINC001589521404 987166102 /nfs/dbraw/zinc/16/61/02/987166102.db2.gz NKVMWGGDTBZGFE-ZDUSSCGKSA-N -1 0 347.374 3.584 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2coc(C3CCCC3)n2)cc1 ZINC001589521680 987168808 /nfs/dbraw/zinc/16/88/08/987168808.db2.gz RXOJAPISEVJUAO-LLVKDONJSA-N -1 0 328.368 3.773 20 0 EHADRM CCC(=O)c1cc(C(=O)Nc2ccc(C(=O)[O-])cc2CC)ccc1F ZINC001594717395 987194474 /nfs/dbraw/zinc/19/44/74/987194474.db2.gz DLFIZCCQIYASIE-UHFFFAOYSA-N -1 0 343.354 3.931 20 0 EHADRM CCC(=O)c1cccc(NC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1 ZINC001594722514 987213182 /nfs/dbraw/zinc/21/31/82/987213182.db2.gz RARKENWANPYGMO-AWEZNQCLSA-N -1 0 346.427 3.634 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2ccc(-c3ccccn3)nc2)c1 ZINC001589532414 987214074 /nfs/dbraw/zinc/21/40/74/987214074.db2.gz QKFPGHIFQDCVIP-ZDUSSCGKSA-N -1 0 347.374 3.584 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(N[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)c1 ZINC001589532996 987221007 /nfs/dbraw/zinc/22/10/07/987221007.db2.gz XTCYLAZEAQULOQ-OLZOCXBDSA-N -1 0 348.443 3.542 20 0 EHADRM C[C@H](C(=O)O[C@@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)c1ccc(Cl)s1 ZINC001589544333 987264578 /nfs/dbraw/zinc/26/45/78/987264578.db2.gz ZBEOORKUNOTFJX-OGBGREFGSA-N -1 0 328.817 3.548 20 0 EHADRM C[C@@H](C(=O)OCc1ccc(C(=O)[O-])s1)c1ccc(F)c(F)c1 ZINC001589547415 987269920 /nfs/dbraw/zinc/26/99/20/987269920.db2.gz MSDFVHLAPNIHHC-MRVPVSSYSA-N -1 0 326.320 3.571 20 0 EHADRM C[C@H](C(=O)OCc1c2ccccc2sc1C(=O)[O-])C(C)(F)F ZINC001589548628 987278062 /nfs/dbraw/zinc/27/80/62/987278062.db2.gz JOGYAFVGOGNJRO-MRVPVSSYSA-N -1 0 328.336 3.934 20 0 EHADRM C[C@H](C(=O)OCc1ccc(C(=O)[O-])cc1F)c1ccc(F)c(F)c1 ZINC001589548720 987278808 /nfs/dbraw/zinc/27/88/08/987278808.db2.gz MQTAQDPFJABMDC-VIFPVBQESA-N -1 0 338.281 3.649 20 0 EHADRM CCSc1nnc(S[C@H](Cc2ccc(C)cc2)C(=O)[O-])s1 ZINC001597280148 987350299 /nfs/dbraw/zinc/35/02/99/987350299.db2.gz RJAXMPDXUSBZIE-LLVKDONJSA-N -1 0 340.495 3.747 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccccc1F ZINC001597335750 987471769 /nfs/dbraw/zinc/47/17/69/987471769.db2.gz CBBZWKDNIAUXOK-HNNXBMFYSA-N -1 0 334.322 3.936 20 0 EHADRM CC[C@H](NC(=O)Nc1cc(C)c(C(=O)[O-])cn1)c1ccc(F)cc1 ZINC001597336658 987475360 /nfs/dbraw/zinc/47/53/60/987475360.db2.gz REAYQXAMBUCTLV-AWEZNQCLSA-N -1 0 331.347 3.500 20 0 EHADRM CCc1[nH]c(C(=O)NCc2ccc(C)cc2SC)c(C)c1C(=O)[O-] ZINC001597369451 987554146 /nfs/dbraw/zinc/55/41/46/987554146.db2.gz UQLKJYLKBPZDMX-UHFFFAOYSA-N -1 0 346.452 3.544 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NCc2nc3cc(F)ccc3o2)cc1 ZINC001589641347 987563725 /nfs/dbraw/zinc/56/37/25/987563725.db2.gz RSBCHADHMXJSMR-UHFFFAOYSA-N -1 0 328.343 3.941 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NCc2ccc3c(c2)OC(F)(F)O3)cc1 ZINC001589641510 987564379 /nfs/dbraw/zinc/56/43/79/987564379.db2.gz TWNUHNURKXXAOL-UHFFFAOYSA-N -1 0 349.333 3.982 20 0 EHADRM CCc1[nH]c(CN(C)Cc2cc(Cl)ccc2OC)cc1C(=O)[O-] ZINC001597380348 987573127 /nfs/dbraw/zinc/57/31/27/987573127.db2.gz HBSMTBVAJQSSGM-UHFFFAOYSA-N -1 0 336.819 3.569 20 0 EHADRM CCc1[nH]c(C(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)c(C)c1C(=O)[O-] ZINC001597385912 987599346 /nfs/dbraw/zinc/59/93/46/987599346.db2.gz UWANMFMUYQSYSU-SMDDNHRTSA-N -1 0 346.814 3.523 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)c2cc3ccncc3s2)c1 ZINC001589651341 987603456 /nfs/dbraw/zinc/60/34/56/987603456.db2.gz YHNQLSWJOOGWKV-UHFFFAOYSA-N -1 0 341.388 3.878 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(NC(=O)c2cc3cc(F)ccc3o2)n1 ZINC001589656762 987622551 /nfs/dbraw/zinc/62/25/51/987622551.db2.gz XTKUZVQJQLCZPR-UHFFFAOYSA-N -1 0 348.355 3.643 20 0 EHADRM CCc1[nH]c(CNc2cc(F)c(Cl)cc2OC)cc1C(=O)[O-] ZINC001597395188 987646416 /nfs/dbraw/zinc/64/64/16/987646416.db2.gz OWWMIGZQGVKMHS-UHFFFAOYSA-N -1 0 326.755 3.689 20 0 EHADRM CCc1c2ccccc2oc1C(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1 ZINC001597413004 987709525 /nfs/dbraw/zinc/70/95/25/987709525.db2.gz UYOMUIWVNAWFCT-UHFFFAOYSA-N -1 0 349.346 3.822 20 0 EHADRM CCc1c(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)cnn1C(C)(C)C ZINC001597414753 987712969 /nfs/dbraw/zinc/71/29/69/987712969.db2.gz JECUKELGTBSASX-LBPRGKRZSA-N -1 0 344.411 3.817 20 0 EHADRM CC(C)(C)C(=O)CCCC(=O)NC[C@H](C(=O)[O-])C1CCCCCC1 ZINC001589686062 987729252 /nfs/dbraw/zinc/72/92/52/987729252.db2.gz LZJQFVVCUKTWFY-HNNXBMFYSA-N -1 0 339.476 3.559 20 0 EHADRM CC(C)(C)C(=O)CCCC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001589686099 987730255 /nfs/dbraw/zinc/73/02/55/987730255.db2.gz NEACXMCZESOTMB-UHFFFAOYSA-N -1 0 325.792 3.762 20 0 EHADRM CCc1cc(C(=O)N[C@H](CC2CC2)C(=O)[O-])sc1-c1ccccc1 ZINC001597429965 987768873 /nfs/dbraw/zinc/76/88/73/987768873.db2.gz XLLYHKDRQMDZTO-OAHLLOKOSA-N -1 0 343.448 3.961 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2oc(CC3CC3)nc2C)s1 ZINC001597446047 987821396 /nfs/dbraw/zinc/82/13/96/987821396.db2.gz XTKVVVGRYPYCLC-UHFFFAOYSA-N -1 0 334.397 3.510 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)CCC(=O)c1ccccc1 ZINC001597449679 987834849 /nfs/dbraw/zinc/83/48/49/987834849.db2.gz HVYZWJAFMLHKAY-UHFFFAOYSA-N -1 0 325.364 3.549 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N(C)C1Cc2ccccc2C1 ZINC001597452253 987847081 /nfs/dbraw/zinc/84/70/81/987847081.db2.gz OJXZDMRYPCUNQT-UHFFFAOYSA-N -1 0 338.407 3.578 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H](C)c1cccc(OC)c1 ZINC001597457527 987874505 /nfs/dbraw/zinc/87/45/05/987874505.db2.gz VGINJODTPHWEJP-LBPRGKRZSA-N -1 0 342.395 3.839 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1nc(-c2ccccc2)[nH]c1C ZINC001597465458 987904562 /nfs/dbraw/zinc/90/45/62/987904562.db2.gz GXRCFRNSBPADHV-UHFFFAOYSA-N -1 0 349.390 3.898 20 0 EHADRM CC(C)(C)[C@H]1CCC[C@](NC(=O)[C@H]2C[C@H]2C(=O)[O-])(C(F)(F)F)CC1 ZINC001589727974 987926362 /nfs/dbraw/zinc/92/63/62/987926362.db2.gz DEBWQCHWGQHUDB-PVTKRXDGSA-N -1 0 349.393 3.751 20 0 EHADRM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)NCCCCCCC(=O)[O-] ZINC001589728228 987928934 /nfs/dbraw/zinc/92/89/34/987928934.db2.gz GMQQYKBKAVVUNH-HUUCEWRRSA-N -1 0 326.481 3.926 20 0 EHADRM CCc1cc(NC(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)ccc1C ZINC001597481403 987968878 /nfs/dbraw/zinc/96/88/78/987968878.db2.gz GOMMWUHSGIESSS-KRWDZBQOSA-N -1 0 344.386 3.686 20 0 EHADRM CS[C@@H]1CCC[C@H](NC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)C1 ZINC001599788755 987970623 /nfs/dbraw/zinc/97/06/23/987970623.db2.gz FYMQNHPKZPXYIR-CMPLNLGQSA-N -1 0 347.440 3.662 20 0 EHADRM CC(C)(C)[C@@H]1CCc2sc(C(=O)NC3(C(=O)[O-])CCC3)cc2C1 ZINC001589735236 987984790 /nfs/dbraw/zinc/98/47/90/987984790.db2.gz OFKNBPQSJABDLD-GFCCVEGCSA-N -1 0 335.469 3.636 20 0 EHADRM CS[C@@H]1CCCCN(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)C1 ZINC001599789737 987987427 /nfs/dbraw/zinc/98/74/27/987987427.db2.gz XBJDWCDAZLZHCV-SWLSCSKDSA-N -1 0 336.457 3.624 20 0 EHADRM CCc1cc(OC)ccc1CNc1cc(COC)cc(C(=O)[O-])c1 ZINC001597488247 987997675 /nfs/dbraw/zinc/99/76/75/987997675.db2.gz ZGIPNEDJRLJFNV-UHFFFAOYSA-N -1 0 329.396 3.714 20 0 EHADRM CCc1cc2c(CC(=O)NC(CC)(CC)C(=O)[O-])csc2s1 ZINC001597488391 987999290 /nfs/dbraw/zinc/99/92/90/987999290.db2.gz BSLPOYYSTPGBCA-UHFFFAOYSA-N -1 0 339.482 3.827 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])o2)cc1 ZINC001597492364 988027742 /nfs/dbraw/zinc/02/77/42/988027742.db2.gz NYHTYYOSQNKJMG-HNNXBMFYSA-N -1 0 329.396 3.738 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])o2)cc1 ZINC001597492452 988028080 /nfs/dbraw/zinc/02/80/80/988028080.db2.gz QEJHUKHZZQNPRI-QRWLVFNGSA-N -1 0 339.391 3.588 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)Cc1cccc(Cl)c1Cl)C(=O)[O-] ZINC001589745429 988038433 /nfs/dbraw/zinc/03/84/33/988038433.db2.gz JAQAGYJTGZUZFV-NSHDSACASA-N -1 0 332.227 3.542 20 0 EHADRM CCc1ccc(Br)c(N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@H]23)c1 ZINC001597494882 988039768 /nfs/dbraw/zinc/03/97/68/988039768.db2.gz KAZVXKXFRPULOA-ZJQBRPOHSA-N -1 0 338.245 3.923 20 0 EHADRM CSCC1(CC(=O)Oc2ccc3c(c2)c(C(=O)[O-])c(C)n3C)CC1 ZINC001599793391 988049815 /nfs/dbraw/zinc/04/98/15/988049815.db2.gz HEXLSVSBVVEVCR-UHFFFAOYSA-N -1 0 347.436 3.624 20 0 EHADRM CCc1ccc(C(C)(C)NC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001597508744 988088242 /nfs/dbraw/zinc/08/82/42/988088242.db2.gz SWDWVMONTBMUDD-UHFFFAOYSA-N -1 0 329.371 3.751 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N[C@]2(C(=O)[O-])CCCC(C)(C)C2)cc1 ZINC001597511537 988091539 /nfs/dbraw/zinc/09/15/39/988091539.db2.gz BVPHTXRYAQYGTG-JLTOFOAXSA-N -1 0 331.456 3.892 20 0 EHADRM CCc1ccc([C@H](C)C(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)cc1 ZINC001597512386 988098386 /nfs/dbraw/zinc/09/83/86/988098386.db2.gz XGXDAVMESBWJTK-NSHDSACASA-N -1 0 346.452 3.810 20 0 EHADRM CC(C)(C)CCCC(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001589766651 988115440 /nfs/dbraw/zinc/11/54/40/988115440.db2.gz MPTSRSMXYRJJRW-HNNXBMFYSA-N -1 0 331.412 3.761 20 0 EHADRM CC(C)(C)CCCCNC(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001589772004 988128628 /nfs/dbraw/zinc/12/86/28/988128628.db2.gz UCGGFCUTKOHKPX-FQEVSTJZSA-N -1 0 346.471 3.641 20 0 EHADRM CCc1ccc([C@@H]2C[C@@H](C)CCN2Cc2nc(C(=O)[O-])cs2)o1 ZINC001597516572 988128661 /nfs/dbraw/zinc/12/86/61/988128661.db2.gz DQRRJSVSGJJUNE-FZMZJTMJSA-N -1 0 334.441 3.970 20 0 EHADRM CCc1ccc(CC(=O)Nc2ccc(C(=O)[O-])c3ccccc23)nc1 ZINC001597521533 988155843 /nfs/dbraw/zinc/15/58/43/988155843.db2.gz RZFRRHWIMORFNO-UHFFFAOYSA-N -1 0 334.375 3.677 20 0 EHADRM CCc1ccc(CN(CC(C)C)C(=O)c2ccnc(C(=O)[O-])c2)cc1 ZINC001597526001 988168669 /nfs/dbraw/zinc/16/86/69/988168669.db2.gz FXGJNKIYODGEES-UHFFFAOYSA-N -1 0 340.423 3.641 20 0 EHADRM CSCc1cc(C(=O)OCc2ccccc2CC(=O)[O-])ccc1F ZINC001599802508 988200103 /nfs/dbraw/zinc/20/01/03/988200103.db2.gz OIKWJKXSYGNUBP-UHFFFAOYSA-N -1 0 348.395 3.673 20 0 EHADRM CSc1c(F)cccc1C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-] ZINC001599806028 988257045 /nfs/dbraw/zinc/25/70/45/988257045.db2.gz INMFOYDPDPXROU-LBPRGKRZSA-N -1 0 347.411 3.663 20 0 EHADRM CSc1c(F)cccc1C(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC001599806031 988257186 /nfs/dbraw/zinc/25/71/86/988257186.db2.gz IVUHETKRZGICED-UHFFFAOYSA-N -1 0 347.411 3.665 20 0 EHADRM CSc1c(F)cc(NCc2cc(C(=O)[O-])c(C)n2C)cc1F ZINC001599806080 988258352 /nfs/dbraw/zinc/25/83/52/988258352.db2.gz KWHQFYUKPKJOCW-UHFFFAOYSA-N -1 0 326.368 3.644 20 0 EHADRM CSc1c(F)cccc1C(=O)Nc1c(F)ccc(F)c1C(=O)[O-] ZINC001599806191 988260410 /nfs/dbraw/zinc/26/04/10/988260410.db2.gz PKGBCXKRZATTLH-UHFFFAOYSA-N -1 0 341.310 3.776 20 0 EHADRM CCc1ccc(NC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1CC ZINC001597547724 988262510 /nfs/dbraw/zinc/26/25/10/988262510.db2.gz NUVVNYAYHFLELH-INIZCTEOSA-N -1 0 330.428 3.530 20 0 EHADRM CCc1ccc(NC(=O)c2cc(C)c(OC)c(C)c2)c(C(=O)[O-])c1 ZINC001597551170 988272289 /nfs/dbraw/zinc/27/22/89/988272289.db2.gz VPEURKUMYCYHNY-UHFFFAOYSA-N -1 0 327.380 3.825 20 0 EHADRM CCc1ccc(NC(=O)c2nsc3ccccc32)c(C(=O)[O-])c1 ZINC001597552057 988278195 /nfs/dbraw/zinc/27/81/95/988278195.db2.gz QHEHCUUXOQVBBV-UHFFFAOYSA-N -1 0 326.377 3.809 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)c1ccoc1CC(=O)[O-] ZINC001599809112 988303107 /nfs/dbraw/zinc/30/31/07/988303107.db2.gz SHECMNFQNTVUJF-UHFFFAOYSA-N -1 0 325.773 3.534 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001599809166 988303816 /nfs/dbraw/zinc/30/38/16/988303816.db2.gz VTMDMYGSZBIUJS-GXSJLCMTSA-N -1 0 342.848 3.827 20 0 EHADRM CC(C)(C)Nc1ccccc1NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC001589839387 988324786 /nfs/dbraw/zinc/32/47/86/988324786.db2.gz BNTQUALSCXRTKG-UHFFFAOYSA-N -1 0 326.396 3.776 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2CCCC2(C)C)cc1 ZINC001599810765 988330530 /nfs/dbraw/zinc/33/05/30/988330530.db2.gz GOTITDPSQADTHU-CABCVRRESA-N -1 0 335.469 3.867 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)[C@@H]1Cc2cc(C)c(C)cc2O1 ZINC001597573949 988359393 /nfs/dbraw/zinc/35/93/93/988359393.db2.gz WUZXJQXHOUJZMZ-KRWDZBQOSA-N -1 0 339.391 3.506 20 0 EHADRM CSc1ccc(CNC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cc1 ZINC001599813295 988375777 /nfs/dbraw/zinc/37/57/77/988375777.db2.gz OFCXHMIDIYKNSW-LBPRGKRZSA-N -1 0 344.436 3.918 20 0 EHADRM CSc1ccc(CCCC(=O)NCC2(CC(=O)[O-])CCCC2)cc1 ZINC001599813285 988375819 /nfs/dbraw/zinc/37/58/19/988375819.db2.gz XKDGVTUOAUKNRR-UHFFFAOYSA-N -1 0 349.496 3.883 20 0 EHADRM CCc1cccc(CC)c1NC(=O)N1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC001597585193 988394501 /nfs/dbraw/zinc/39/45/01/988394501.db2.gz LTINDJHPYLXATA-HNAYVOBHSA-N -1 0 330.428 3.673 20 0 EHADRM CSc1ccc(NCc2ccc(C(=O)[O-])[nH]2)cc1Br ZINC001599821083 988514442 /nfs/dbraw/zinc/51/44/42/988514442.db2.gz YXTVTZJLZMNZMW-UHFFFAOYSA-N -1 0 341.230 3.809 20 0 EHADRM CSc1ccc([C@H](C)NC(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC001599821185 988516589 /nfs/dbraw/zinc/51/65/89/988516589.db2.gz MSNDQDJMZZCCKC-LBPRGKRZSA-N -1 0 329.421 3.527 20 0 EHADRM CSc1cccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)n1 ZINC001599821425 988520787 /nfs/dbraw/zinc/52/07/87/988520787.db2.gz AQTZTJUKZJZPIZ-UHFFFAOYSA-N -1 0 340.763 3.547 20 0 EHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)[O-])c1OC ZINC001597621077 988544339 /nfs/dbraw/zinc/54/43/39/988544339.db2.gz BXJUYEKUWWYKQV-JKSUJKDBSA-N -1 0 339.391 3.698 20 0 EHADRM CSc1cccc(F)c1C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC001599823642 988558900 /nfs/dbraw/zinc/55/89/00/988558900.db2.gz FTCKGMXOFVPDAN-UHFFFAOYSA-N -1 0 349.383 3.572 20 0 EHADRM CCc1ccnc(C(=O)Nc2nc(C3CCCC3)c(C(=O)[O-])s2)c1 ZINC001597623088 988569015 /nfs/dbraw/zinc/56/90/15/988569015.db2.gz MUPHUAYRZNPEFF-UHFFFAOYSA-N -1 0 345.424 3.709 20 0 EHADRM CSc1ccccc1CC(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001599824355 988571874 /nfs/dbraw/zinc/57/18/74/988571874.db2.gz ZZPPDGNXPOFZJR-UHFFFAOYSA-N -1 0 335.450 3.966 20 0 EHADRM CSc1ccccc1NC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001599825373 988589809 /nfs/dbraw/zinc/58/98/09/988589809.db2.gz VQXOIYPPVHSQAF-UHFFFAOYSA-N -1 0 334.397 3.672 20 0 EHADRM CCc1cnccc1[C@H](C)NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001597637050 988621623 /nfs/dbraw/zinc/62/16/23/988621623.db2.gz UFFZFSIAVAMJLL-ZDUSSCGKSA-N -1 0 341.411 3.544 20 0 EHADRM CCc1csc([C@H](C)Nc2ncc(C(=O)[O-])cc2C(F)(F)F)n1 ZINC001597640123 988636664 /nfs/dbraw/zinc/63/66/64/988636664.db2.gz UDWIXYGELBAMIK-ZETCQYMHSA-N -1 0 345.346 3.991 20 0 EHADRM CCc1nc(C(=O)O[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)co1 ZINC001597651041 988685702 /nfs/dbraw/zinc/68/57/02/988685702.db2.gz HJMPPOSSTBSUOY-GFCCVEGCSA-N -1 0 344.150 3.527 20 0 EHADRM CCc1nc(C(C)C)ccc1COC(=O)c1ccc(C(=O)[O-])cc1F ZINC001597652604 988700135 /nfs/dbraw/zinc/70/01/35/988700135.db2.gz QYLZPYCHJRWPEJ-UHFFFAOYSA-N -1 0 345.370 3.962 20 0 EHADRM CCc1nc(C(C)C)ccc1CSc1[nH]c(=O)nc(C)c1C(=O)[O-] ZINC001597653127 988701485 /nfs/dbraw/zinc/70/14/85/988701485.db2.gz WNKZJSHGACCUTI-UHFFFAOYSA-N -1 0 347.440 3.562 20 0 EHADRM CCc1nc(C)c(C(=O)N2CCCc3ccc(C)c(C(=O)[O-])c32)s1 ZINC001597655745 988705094 /nfs/dbraw/zinc/70/50/94/988705094.db2.gz FCVJBDTTWOMGCM-UHFFFAOYSA-N -1 0 344.436 3.614 20 0 EHADRM C[C@@H](CC(=O)[O-])OC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC001599833361 988706254 /nfs/dbraw/zinc/70/62/54/988706254.db2.gz MFTHPTYPJQSRPT-SUMWQHHRSA-N -1 0 330.405 3.926 20 0 EHADRM CCc1nc(NC(=O)CCCc2ccc(C)cc2)sc1C(=O)[O-] ZINC001597678017 988794767 /nfs/dbraw/zinc/79/47/67/988794767.db2.gz IKCXZXYARGWVDL-UHFFFAOYSA-N -1 0 332.425 3.674 20 0 EHADRM CCc1nc(NC(=O)c2c(C)occ2C(F)(F)F)sc1C(=O)[O-] ZINC001597681447 988814414 /nfs/dbraw/zinc/81/44/14/988814414.db2.gz BTPSBQZRQJMSBP-UHFFFAOYSA-N -1 0 348.302 3.576 20 0 EHADRM CCc1ncsc1C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001597710926 988968960 /nfs/dbraw/zinc/96/89/60/988968960.db2.gz SYSAWHTXIKNGFN-UHFFFAOYSA-N -1 0 326.377 3.809 20 0 EHADRM C[C@@H]1CN(C(=O)N[C@@H](c2ccccc2)C2CCCCC2)C[C@H]1C(=O)[O-] ZINC001599855434 989080057 /nfs/dbraw/zinc/08/00/57/989080057.db2.gz HZVYAJRETZNLFZ-OLMNPRSZSA-N -1 0 344.455 3.670 20 0 EHADRM CC(C)(C)OC(=O)N1CCN(CCCCC(=O)[O-])c2ccccc21 ZINC001590057387 989097268 /nfs/dbraw/zinc/09/72/68/989097268.db2.gz BGWBPTOCABMTKV-UHFFFAOYSA-N -1 0 334.416 3.503 20 0 EHADRM C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)C[C@H]1CC(=O)[O-] ZINC001599860916 989165969 /nfs/dbraw/zinc/16/59/69/989165969.db2.gz ZGVOFQJEVNAODM-VDHUWJSZSA-N -1 0 329.440 3.530 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN1CCc2cc(OC)c(Cl)cc2C1 ZINC001597766638 989216043 /nfs/dbraw/zinc/21/60/43/989216043.db2.gz ZGUFBSHLJISCCI-UHFFFAOYSA-N -1 0 349.814 3.761 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN1CCCc2c(OC)cc(OC)cc21 ZINC001597766629 989216528 /nfs/dbraw/zinc/21/65/28/989216528.db2.gz YRMXDYYURMNITL-UHFFFAOYSA-N -1 0 345.395 3.510 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1cnn(C)c1-c1ccccc1 ZINC001597767742 989224790 /nfs/dbraw/zinc/22/47/90/989224790.db2.gz FYSIXBSCVQLOQH-UHFFFAOYSA-N -1 0 325.368 3.553 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)[C@@H](C)c1ccc(F)cc1F ZINC001597768312 989232667 /nfs/dbraw/zinc/23/26/67/989232667.db2.gz XZZSIINCYLWRKM-VIFPVBQESA-N -1 0 338.306 3.665 20 0 EHADRM CCc1sc(C(=O)N2CCCc3ccc(C(=O)[O-])cc32)cc1C ZINC001597817929 989450705 /nfs/dbraw/zinc/45/07/05/989450705.db2.gz GASOWPXUBKQPIF-UHFFFAOYSA-N -1 0 329.421 3.910 20 0 EHADRM CCn1c2ccccc2nc1[C@@H](C)Nc1ncc(C(=O)[O-])cc1Cl ZINC001597841180 989540720 /nfs/dbraw/zinc/54/07/20/989540720.db2.gz YEHPBKJKARIYRO-SNVBAGLBSA-N -1 0 344.802 3.976 20 0 EHADRM CCn1c(Cc2ccccc2)nnc1SCC1(C(=O)[O-])CCCC1 ZINC001597855682 989609054 /nfs/dbraw/zinc/60/90/54/989609054.db2.gz GJKUDVIGQZOMED-UHFFFAOYSA-N -1 0 345.468 3.626 20 0 EHADRM CCn1c(S[C@H](C(=O)[O-])c2ccsc2)nnc1-c1ccccc1 ZINC001597862555 989643887 /nfs/dbraw/zinc/64/38/87/989643887.db2.gz VSRFKPRKICNKHM-ZDUSSCGKSA-N -1 0 345.449 3.945 20 0 EHADRM CCn1c(SCc2ccccc2C(=O)[O-])nnc1-c1ccco1 ZINC001597864438 989648072 /nfs/dbraw/zinc/64/80/72/989648072.db2.gz HFIHPZPVGINVSU-UHFFFAOYSA-N -1 0 329.381 3.549 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)N2CCc3c2cccc3C(=O)[O-])cc1 ZINC001590410451 989952938 /nfs/dbraw/zinc/95/29/38/989952938.db2.gz XDHGYWVQFKMJSO-UHFFFAOYSA-N -1 0 339.391 3.765 20 0 EHADRM CC(C)(C)[C@@H]1C[C@H]1C(=O)Oc1ccc(Br)cc1C(=O)[O-] ZINC001590435343 989995333 /nfs/dbraw/zinc/99/53/33/989995333.db2.gz AAMWJHSYCPTMCQ-MWLCHTKSSA-N -1 0 341.201 3.735 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)C(=O)c2ccc(F)cc2)s1 ZINC001590461153 990028195 /nfs/dbraw/zinc/02/81/95/990028195.db2.gz SBOQIFKYSVQHCW-UHFFFAOYSA-N -1 0 349.383 3.704 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N(CC(=O)[O-])c2cccc(F)c2)cc1 ZINC001590471936 990042719 /nfs/dbraw/zinc/04/27/19/990042719.db2.gz FQKNQEUYUASRKB-UHFFFAOYSA-N -1 0 329.371 3.855 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)NC[C@@H](CC2CC2)C(=O)[O-])cc1F ZINC001590493085 990094698 /nfs/dbraw/zinc/09/46/98/990094698.db2.gz JKOZZGHEKCEVPS-GFCCVEGCSA-N -1 0 336.407 3.746 20 0 EHADRM CC(C)(C)c1cccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC001590498723 990109209 /nfs/dbraw/zinc/10/92/09/990109209.db2.gz FYTLFZZHWQMBGL-MRXNPFEDSA-N -1 0 329.371 3.679 20 0 EHADRM CC(C)(C)n1cnnc1SCc1cccc(C(=O)[O-])c1Cl ZINC001590603266 990266257 /nfs/dbraw/zinc/26/62/57/990266257.db2.gz WVNNWXQMOBMNFR-UHFFFAOYSA-N -1 0 325.821 3.677 20 0 EHADRM CC(C)(CC(=O)Nc1nc(CCCC(=O)[O-])cs1)CC(F)F ZINC001590625236 990307751 /nfs/dbraw/zinc/30/77/51/990307751.db2.gz KBBOXSQVYXZZFA-UHFFFAOYSA-N -1 0 334.388 3.560 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001590628866 990320016 /nfs/dbraw/zinc/32/00/16/990320016.db2.gz XLWKWWDYYYTJAY-HIFRSBDPSA-N -1 0 337.847 3.983 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(Oc2cccc(F)c2)nc1 ZINC001590636762 990324766 /nfs/dbraw/zinc/32/47/66/990324766.db2.gz IWPXCSQOIYHXTF-UHFFFAOYSA-N -1 0 346.358 3.843 20 0 EHADRM CC(C)(CCNC(=O)CC1(CC(=O)[O-])CCCC1)c1ccccc1 ZINC001590675704 990386329 /nfs/dbraw/zinc/38/63/29/990386329.db2.gz QXSXLPDCCUAFHM-UHFFFAOYSA-N -1 0 331.456 3.896 20 0 EHADRM CC(C)(C)c1ccc(Cl)cc1NC(=O)NCC(C)(C)C(=O)[O-] ZINC001590726945 990523371 /nfs/dbraw/zinc/52/33/71/990523371.db2.gz LUBCLZUCTROTIV-UHFFFAOYSA-N -1 0 326.824 3.870 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)C1CC1 ZINC001590734193 990526261 /nfs/dbraw/zinc/52/62/61/990526261.db2.gz DANXYCVPDIPETC-UHFFFAOYSA-N -1 0 342.342 3.544 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(C(=O)[O-])s1)c1cccc(F)c1 ZINC001590734512 990530483 /nfs/dbraw/zinc/53/04/83/990530483.db2.gz YOMUCSKKOOOEFW-UHFFFAOYSA-N -1 0 336.388 3.685 20 0 EHADRM CC(C)(CNC(=O)c1c(Cl)cccc1C(F)(F)F)CC(=O)[O-] ZINC001590743304 990540712 /nfs/dbraw/zinc/54/07/12/990540712.db2.gz GHDGGKIEWHAMQE-UHFFFAOYSA-N -1 0 337.725 3.590 20 0 EHADRM CC(C)(Cc1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)[O-])c1N ZINC001590822126 990663302 /nfs/dbraw/zinc/66/33/02/990663302.db2.gz WCPKAUGKJDHZGA-UHFFFAOYSA-N -1 0 346.814 3.828 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001590826786 990669952 /nfs/dbraw/zinc/66/99/52/990669952.db2.gz JHCSOGLCEYGQNP-UHFFFAOYSA-N -1 0 333.334 3.870 20 0 EHADRM CC(C)(NC(=O)c1ccc(C(=O)[O-])s1)c1nc2ccccc2s1 ZINC001590861573 990753442 /nfs/dbraw/zinc/75/34/42/990753442.db2.gz MVLXVHKNEOAELX-UHFFFAOYSA-N -1 0 346.433 3.721 20 0 EHADRM CC(C)=C(C)C(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC001590908206 990875439 /nfs/dbraw/zinc/87/54/39/990875439.db2.gz FFCPAHKLCHLMBJ-UHFFFAOYSA-N -1 0 340.423 3.928 20 0 EHADRM CC(C)=C(C)CC(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC001590912536 990886772 /nfs/dbraw/zinc/88/67/72/990886772.db2.gz KURIEOCQIQLLCH-SFHVURJKSA-N -1 0 339.435 3.946 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H](CC(=O)[O-])c2cccc(C)c2)C1(C)C ZINC001590915222 990901647 /nfs/dbraw/zinc/90/16/47/990901647.db2.gz QPZXHYKGIKZKCW-SOLBZPMBSA-N -1 0 329.440 3.865 20 0 EHADRM COc1cccc2c(C(=O)Nc3cc(C(=O)[O-])ccc3F)coc21 ZINC001599690013 991053795 /nfs/dbraw/zinc/05/37/95/991053795.db2.gz ZXJSYHSMSWUNSB-UHFFFAOYSA-N -1 0 329.283 3.531 20 0 EHADRM CC(C)[C@@H](CCc1ccccc1)C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001590980717 991134029 /nfs/dbraw/zinc/13/40/29/991134029.db2.gz JESYJLZJBLABDL-QGZVFWFLSA-N -1 0 340.423 3.552 20 0 EHADRM CC(C)[C@@H](CNc1ncc(C(=O)[O-])cc1Cl)Nc1ccccc1 ZINC001590988023 991177522 /nfs/dbraw/zinc/17/75/22/991177522.db2.gz JCENXZAUOJNMRU-OAHLLOKOSA-N -1 0 333.819 3.982 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001599698414 991183241 /nfs/dbraw/zinc/18/32/41/991183241.db2.gz ZESUWEIPAQNSDU-PKHIPVCBSA-N -1 0 345.439 3.638 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccc(OC2CCCC2)cc1 ZINC000237994948 1015618557 /nfs/dbraw/zinc/61/85/57/1015618557.db2.gz RHJXVZLIEJPRPY-MRXNPFEDSA-N -1 0 345.439 3.868 20 0 EHADRM Cc1ccc(CNC(=O)CC2CCC(C(=O)[O-])CC2)c(OC(C)C)c1 ZINC000583996806 1015620016 /nfs/dbraw/zinc/62/00/16/1015620016.db2.gz DEBKVXJVQJCPRF-UHFFFAOYSA-N -1 0 347.455 3.680 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)c1cc2c(s1)CCCC2 ZINC001598300302 991242736 /nfs/dbraw/zinc/24/27/36/991242736.db2.gz IMKKVUWEADMWJF-UHFFFAOYSA-N -1 0 344.436 3.643 20 0 EHADRM CC(C)[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccn1)c1ccccc1Cl ZINC001591013245 991281553 /nfs/dbraw/zinc/28/15/53/991281553.db2.gz KRFUVGFZSJSDQD-OAHLLOKOSA-N -1 0 347.802 3.952 20 0 EHADRM CN(C)c1ccc(C2(c3nc(-c4cccc(C(=O)[O-])c4)no3)CC2)cc1 ZINC001598314578 991299793 /nfs/dbraw/zinc/29/97/93/991299793.db2.gz YOXRQSHWSNLTAL-UHFFFAOYSA-N -1 0 349.390 3.581 20 0 EHADRM CC(C)[C@H](NC(=O)c1ccc(C(=O)[O-])[nH]1)c1ccc(Cl)cc1F ZINC001591019040 991300584 /nfs/dbraw/zinc/30/05/84/991300584.db2.gz OXOAPWFWAKHXGV-AWEZNQCLSA-N -1 0 338.766 3.633 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)Nc1scc(C)c1C(=O)[O-] ZINC001599708941 991338085 /nfs/dbraw/zinc/33/80/85/991338085.db2.gz MYPYWKRIDAFFDY-LLVKDONJSA-N -1 0 347.436 3.971 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)O[C@H](C)c1cc(C(=O)[O-])co1 ZINC001599709410 991345114 /nfs/dbraw/zinc/34/51/14/991345114.db2.gz RNGYVZGVIGHTLD-QWHCGFSZSA-N -1 0 346.379 3.860 20 0 EHADRM COc1ccccc1CN(OC)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001599711145 991373214 /nfs/dbraw/zinc/37/32/14/991373214.db2.gz IKQUCDQUYHURHG-MRXNPFEDSA-N -1 0 335.787 3.538 20 0 EHADRM CN(C)c1cccc(CCC(=O)Oc2ccc(Cl)cc2C(=O)[O-])c1 ZINC001598334637 991378988 /nfs/dbraw/zinc/37/89/88/991378988.db2.gz HSRWBHWHWRYGBZ-UHFFFAOYSA-N -1 0 347.798 3.642 20 0 EHADRM CN(C)c1ccccc1N(C)CCOc1ccc(C(=O)[O-])cc1Cl ZINC001598341631 991402786 /nfs/dbraw/zinc/40/27/86/991402786.db2.gz GTGWRGXNDYLDJR-UHFFFAOYSA-N -1 0 348.830 3.619 20 0 EHADRM CC(C)[C@H](SCC(=O)[O-])C(=O)Nc1cc(Cl)ccc1Cl ZINC001591051973 991455570 /nfs/dbraw/zinc/45/55/70/991455570.db2.gz KPOBTNKTJXOFCV-LBPRGKRZSA-N -1 0 336.240 3.774 20 0 EHADRM CC(C)[C@H](Sc1ncccc1C(=O)[O-])C(=O)N(C)c1ccccc1 ZINC001591052609 991460599 /nfs/dbraw/zinc/46/05/99/991460599.db2.gz UNQDVIPCTOGUQS-HNNXBMFYSA-N -1 0 344.436 3.560 20 0 EHADRM CC(C)[C@@]1(CO)CCN(c2c(Cl)cc(Cl)cc2C(=O)[O-])C1 ZINC001591067765 991516287 /nfs/dbraw/zinc/51/62/87/991516287.db2.gz KBOLEWORQHBZTI-HNNXBMFYSA-N -1 0 332.227 3.536 20 0 EHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)C1 ZINC001591082521 991599593 /nfs/dbraw/zinc/59/95/93/991599593.db2.gz UNZPMHORFOZDAY-AXVVYFOYSA-N -1 0 329.440 3.576 20 0 EHADRM CC(C)[C@H]1CN(C(=O)Nc2cc(C(=O)[O-])cnc2Cl)[C@H]1C(C)C ZINC001591093709 991662040 /nfs/dbraw/zinc/66/20/40/991662040.db2.gz ZKGJLIHQSKHHFM-YPMHNXCESA-N -1 0 339.823 3.578 20 0 EHADRM COc1nc(C)ccc1C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001599730059 991697403 /nfs/dbraw/zinc/69/74/03/991697403.db2.gz NVCLMASRSMCMKG-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM CC(C)C[C@H](C(=O)N[C@](C)(C(=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC001591118705 991785721 /nfs/dbraw/zinc/78/57/21/991785721.db2.gz XYCVCPKEZHSLGM-YJBOKZPZSA-N -1 0 337.847 3.839 20 0 EHADRM CC(C)C[C@@H](C)OC(=O)N(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001591138497 991859360 /nfs/dbraw/zinc/85/93/60/991859360.db2.gz ZMJMZENWKGKNRH-OTYXRUKQSA-N -1 0 347.333 3.733 20 0 EHADRM COc1nsc(CNc2cccc(C(C)(F)F)c2)c1C(=O)[O-] ZINC001599741912 991870212 /nfs/dbraw/zinc/87/02/12/991870212.db2.gz PGMNBIBDFZIDNE-UHFFFAOYSA-N -1 0 328.340 3.574 20 0 EHADRM CC(C)C[C@@]1(C)CCCN1C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001591191996 992006497 /nfs/dbraw/zinc/00/64/97/992006497.db2.gz KAUHRNNNATUXAH-GOSISDBHSA-N -1 0 344.415 3.694 20 0 EHADRM CC(C)C[C@H]1CCCCN1C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001591206498 992034638 /nfs/dbraw/zinc/03/46/38/992034638.db2.gz UWXKGTSNXGGEJE-OAHLLOKOSA-N -1 0 342.439 3.767 20 0 EHADRM CC(C)CC1CCN(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CC1 ZINC001591207071 992037517 /nfs/dbraw/zinc/03/75/17/992037517.db2.gz CLQBDJOBYXGQCO-UHFFFAOYSA-N -1 0 336.407 3.743 20 0 EHADRM CC(C)CCCC(=O)N[C@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001591228152 992102810 /nfs/dbraw/zinc/10/28/10/992102810.db2.gz PXUGCCMSGHZTEA-FUHWJXTLSA-N -1 0 331.456 3.892 20 0 EHADRM CC(C)CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)C(C)(C)C(=O)[O-] ZINC001591280826 992210734 /nfs/dbraw/zinc/21/07/34/992210734.db2.gz SCZPTAZFLYXVQI-GHMZBOCLSA-N -1 0 343.876 3.853 20 0 EHADRM CC(C)CN(C(=O)c1cncc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC001591285396 992223261 /nfs/dbraw/zinc/22/32/61/992223261.db2.gz QAYMFMFVNRJTCE-UHFFFAOYSA-N -1 0 332.787 3.736 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)[C@@H](c1ccncc1)C1CCCCC1 ZINC001591321577 992287583 /nfs/dbraw/zinc/28/75/83/992287583.db2.gz ATYGUXCFJRVINL-LJQANCHMSA-N -1 0 346.471 3.705 20 0 EHADRM CC(C)CN(CCC(=O)[O-])c1cc(-c2cccc(Cl)c2)ncn1 ZINC001591339681 992317646 /nfs/dbraw/zinc/31/76/46/992317646.db2.gz SQNGLIXPSZZFLY-UHFFFAOYSA-N -1 0 333.819 3.734 20 0 EHADRM CSC(C)(C)C(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001599780794 992362020 /nfs/dbraw/zinc/36/20/20/992362020.db2.gz MKBSHAIHABKFLI-UHFFFAOYSA-N -1 0 346.408 3.652 20 0 EHADRM CC(C)COC[C@@H](N[C@H](C(=O)[O-])c1ccccc1F)c1ccco1 ZINC001591390689 992445638 /nfs/dbraw/zinc/44/56/38/992445638.db2.gz JRUWZDMQTFRBAU-WBVHZDCISA-N -1 0 335.375 3.548 20 0 EHADRM CC(C)COc1ccc(C(=O)NCCCCC2(C(=O)[O-])CCC2)cc1 ZINC001591396336 992457653 /nfs/dbraw/zinc/45/76/53/992457653.db2.gz AAMWAHGFXBTBDJ-UHFFFAOYSA-N -1 0 347.455 3.876 20 0 EHADRM CN(Cc1cc(Cl)sc1Cl)[C@@H](COC1CCC1)C(=O)[O-] ZINC001598507338 992522433 /nfs/dbraw/zinc/52/24/33/992522433.db2.gz NLQONDCJCBEXTA-JTQLQIEISA-N -1 0 338.256 3.509 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)NC[C@H](CC2CC2)C(=O)[O-])c1 ZINC001591488225 992614964 /nfs/dbraw/zinc/61/49/64/992614964.db2.gz BSSZTLOKLYPBHX-KSSFIOAISA-N -1 0 331.456 3.606 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)N2C3CCC2(C(=O)[O-])CC3)c1 ZINC001591488643 992617143 /nfs/dbraw/zinc/61/71/43/992617143.db2.gz HWEKVUSDRAPZKZ-JTOQLSFASA-N -1 0 329.440 3.597 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)N(C[C@H](C)C(=O)[O-])C2CC2)cc1 ZINC001591488901 992617792 /nfs/dbraw/zinc/61/77/92/992617792.db2.gz JVXQWNJBHPMRDC-GJZGRUSLSA-N -1 0 331.456 3.700 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)N[C@](C)(CC(=O)[O-])C2CC2)c1 ZINC001591489363 992619695 /nfs/dbraw/zinc/61/96/95/992619695.db2.gz QPIRCZZQKQLGII-VBKZILBWSA-N -1 0 331.456 3.748 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])cc1 ZINC001591489784 992621132 /nfs/dbraw/zinc/62/11/32/992621132.db2.gz XMZOOQSPTJSITC-JCGIZDLHSA-N -1 0 331.456 3.748 20 0 EHADRM CN(Cc1ccc(Cl)c(F)c1)C(=O)Nc1ccsc1C(=O)[O-] ZINC001598517879 992640806 /nfs/dbraw/zinc/64/08/06/992640806.db2.gz HTTWNALZVYSTDE-UHFFFAOYSA-N -1 0 342.779 3.903 20 0 EHADRM CN(Cc1cccnc1)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598530954 992779940 /nfs/dbraw/zinc/77/99/40/992779940.db2.gz JZGRJTNKCWLXJI-CQSZACIVSA-N -1 0 325.195 3.646 20 0 EHADRM COc1ccc(NC(=O)/C=C(\C)c2ccccc2C)c(C(=O)[O-])c1 ZINC001599590097 993668578 /nfs/dbraw/zinc/66/85/78/993668578.db2.gz LRZANUFUQSBLLJ-JLHYYAGUSA-N -1 0 325.364 3.744 20 0 EHADRM COc1ccc(NC(=O)/C=C\c2cc(C(=O)[O-])co2)c2ccccc12 ZINC001599590895 993681625 /nfs/dbraw/zinc/68/16/25/993681625.db2.gz XEKADQWOQBLANH-TWGQIWQCSA-N -1 0 337.331 3.792 20 0 EHADRM CC(C)[C@@H](NC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001593083986 993685369 /nfs/dbraw/zinc/68/53/69/993685369.db2.gz PMXFHIXRBGIAFD-SMDDNHRTSA-N -1 0 347.440 3.599 20 0 EHADRM COc1ccc(NC(=O)CNc2ccc(C(C)C)cc2C(=O)[O-])cc1 ZINC001599592992 993711698 /nfs/dbraw/zinc/71/16/98/993711698.db2.gz XIMDJOVXJXJFLM-UHFFFAOYSA-N -1 0 342.395 3.567 20 0 EHADRM COc1ccc(NC(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)cc1 ZINC001599593313 993716912 /nfs/dbraw/zinc/71/69/12/993716912.db2.gz HIMOLAVBUSJNCV-UHFFFAOYSA-N -1 0 344.367 3.825 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc2ncsc2c1 ZINC001593112565 993787814 /nfs/dbraw/zinc/78/78/14/993787814.db2.gz NHACDXDIFPDRNA-SNVBAGLBSA-N -1 0 341.392 3.877 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1)c1ccsc1 ZINC001593116160 993806138 /nfs/dbraw/zinc/80/61/38/993806138.db2.gz XJGGMUHDIYSETE-SECBINFHSA-N -1 0 329.381 3.810 20 0 EHADRM C[C@H](NC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)[C@H]1CCCOC1 ZINC001593118383 993828302 /nfs/dbraw/zinc/82/83/02/993828302.db2.gz KSUSWMJXRLDGKK-QWRGUYRKSA-N -1 0 348.424 3.536 20 0 EHADRM C[C@H](NC(=O)Nc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593125382 993863705 /nfs/dbraw/zinc/86/37/05/993863705.db2.gz YEGSVTPNTXQFJY-JSGCOSHPSA-N -1 0 346.814 3.794 20 0 EHADRM C[C@@H](NC(=O)c1ccc(Cl)cc1F)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593163789 994003220 /nfs/dbraw/zinc/00/32/20/994003220.db2.gz UHLJGQXSNWOZMB-IAQYHMDHSA-N -1 0 349.789 3.541 20 0 EHADRM C[C@@H](NC(=O)c1ccc2c(c1)CCC=C2)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593171836 994035747 /nfs/dbraw/zinc/03/57/47/994035747.db2.gz HZLREVLDVPGZCZ-QRWLVFNGSA-N -1 0 349.430 3.708 20 0 EHADRM C[C@H](NC(=O)c1ccccc1C(F)F)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593178590 994056966 /nfs/dbraw/zinc/05/69/66/994056966.db2.gz CVIUBJXJGFKDGX-LRDDRELGSA-N -1 0 347.361 3.686 20 0 EHADRM C[C@@H](NC(=O)c1ccccc1C(=O)[O-])c1ccc(-c2ccncc2)cc1 ZINC001593179164 994060856 /nfs/dbraw/zinc/06/08/56/994060856.db2.gz MZFICUQCEYHRKO-CQSZACIVSA-N -1 0 346.386 3.938 20 0 EHADRM C[C@@H](NC(=S)Nc1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 ZINC001593190075 994117481 /nfs/dbraw/zinc/11/74/81/994117481.db2.gz LBRKGKSAHKZBCN-SECBINFHSA-N -1 0 336.363 3.711 20 0 EHADRM COc1ccc2c(c1)[C@@H](C(=O)O[C@@H](C)c1ccc(C(=O)[O-])cc1)CC2 ZINC001599624342 994127648 /nfs/dbraw/zinc/12/76/48/994127648.db2.gz CGBFAICPJCOBBV-SJCJKPOMSA-N -1 0 340.375 3.728 20 0 EHADRM COc1ccc2c(CC(=O)O[C@@H](C)c3ccc(C(=O)[O-])o3)coc2c1 ZINC001599625430 994141507 /nfs/dbraw/zinc/14/15/07/994141507.db2.gz ILSJKEVRUXPAMD-JTQLQIEISA-N -1 0 344.319 3.580 20 0 EHADRM C[C@@H](NC(C)(C)c1cc(C(=O)[O-])on1)c1nccc2ccccc21 ZINC001593194862 994141782 /nfs/dbraw/zinc/14/17/82/994141782.db2.gz ACHDRWLFRHQKLG-LLVKDONJSA-N -1 0 325.368 3.507 20 0 EHADRM C[C@@H](N[C@@H](C)c1ccccc1OC(F)F)c1ccc(C(=O)[O-])o1 ZINC001593194891 994143010 /nfs/dbraw/zinc/14/30/10/994143010.db2.gz ARNRRGFCARZSLD-VHSXEESVSA-N -1 0 325.311 3.991 20 0 EHADRM COc1ccc2c(c1)[C@@H](C(=O)Nc1c(F)cccc1C(=O)[O-])CCC2 ZINC001599625751 994145923 /nfs/dbraw/zinc/14/59/23/994145923.db2.gz SNTOXAYRCDCLKT-ZDUSSCGKSA-N -1 0 343.354 3.591 20 0 EHADRM C[C@H](NC1(c2ccc(F)cc2F)CCC1)c1cncc(C(=O)[O-])c1 ZINC001593208735 994229681 /nfs/dbraw/zinc/22/96/81/994229681.db2.gz FMVLPPIVOAQKNT-NSHDSACASA-N -1 0 332.350 3.788 20 0 EHADRM COc1ccc2cc(C(=O)Nc3nc(C)c(C(=O)[O-])s3)ccc2c1 ZINC001599634459 994266170 /nfs/dbraw/zinc/26/61/70/994266170.db2.gz CYDZRZIHEKMKJP-UHFFFAOYSA-N -1 0 342.376 3.564 20 0 EHADRM C[C@@H](N[C@@H]1CC2(CCC2)Oc2ccccc21)c1ncc(C(=O)[O-])s1 ZINC001593217515 994272864 /nfs/dbraw/zinc/27/28/64/994272864.db2.gz BQUGDADUSBTPOM-DGCLKSJQSA-N -1 0 344.436 3.938 20 0 EHADRM COc1ccc2cc(C(=O)Nc3ccc(C(=O)[O-])s3)ccc2c1 ZINC001599636233 994292376 /nfs/dbraw/zinc/29/23/76/994292376.db2.gz JPIKBNLUJYFWHS-UHFFFAOYSA-N -1 0 327.361 3.860 20 0 EHADRM COc1ccc2cc([C@H](C)C(=O)OC3CC(CC(=O)[O-])C3)ccc2c1 ZINC001599636462 994295812 /nfs/dbraw/zinc/29/58/12/994295812.db2.gz PXVGJBZAPJPRCS-ZVLZOBCMSA-N -1 0 342.391 3.748 20 0 EHADRM COc1ccc2oc(C(=O)O[C@@H](C(=O)[O-])c3ccccc3)c(C)c2c1 ZINC001599637803 994314550 /nfs/dbraw/zinc/31/45/50/994314550.db2.gz JXWPEIUGSXKFFU-QGZVFWFLSA-N -1 0 340.331 3.733 20 0 EHADRM C[C@]1(C(=O)[N-]S(=O)(=O)c2cccs2)CCc2ccccc2C1 ZINC000076756819 1015855444 /nfs/dbraw/zinc/85/54/44/1015855444.db2.gz GHTBJBCSDITRSV-INIZCTEOSA-N -1 0 335.450 3.589 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)c1cc2c(s1)CCCC2 ZINC001599643187 994387051 /nfs/dbraw/zinc/38/70/51/994387051.db2.gz AZGZBQRNLHRBPC-UHFFFAOYSA-N -1 0 345.420 3.610 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)/C=C(\C)c1ccc(F)cc1 ZINC001599644453 994405035 /nfs/dbraw/zinc/40/50/35/994405035.db2.gz AVUCGXCXRCJWLZ-VAWYXSNFSA-N -1 0 343.354 3.599 20 0 EHADRM COc1cccc([C@@H](Sc2nncc3ccccc32)C(=O)[O-])c1 ZINC001599660961 994655751 /nfs/dbraw/zinc/65/57/51/994655751.db2.gz KAGSUXCMOYCMRQ-OAHLLOKOSA-N -1 0 326.377 3.556 20 0 EHADRM C[C@@H](NCc1ccc(-c2ccccc2C(=O)[O-])o1)c1ccns1 ZINC001593293108 994682395 /nfs/dbraw/zinc/68/23/95/994682395.db2.gz SPMDVSADKRCDMJ-LLVKDONJSA-N -1 0 328.393 3.952 20 0 EHADRM C[C@H](NCc1ccc(C(=O)[O-])cc1F)c1ccccc1OC(F)F ZINC001593297710 994707408 /nfs/dbraw/zinc/70/74/08/994707408.db2.gz ZUQHNWRFSSWXQV-JTQLQIEISA-N -1 0 339.313 3.976 20 0 EHADRM COc1cccc([C@@H]2CCCN2C(=O)NCCCCCCC(=O)[O-])c1 ZINC001599665672 994726437 /nfs/dbraw/zinc/72/64/37/994726437.db2.gz NDCJDHGERBCPIK-KRWDZBQOSA-N -1 0 348.443 3.577 20 0 EHADRM COc1cccc([C@@H]2C[C@@H]2C(=O)OCc2cc(C(=O)[O-])ccc2C)c1 ZINC001599665683 994726543 /nfs/dbraw/zinc/72/65/43/994726543.db2.gz NEDZSZVNPXEABL-ROUUACIJSA-N -1 0 340.375 3.549 20 0 EHADRM COc1cccc([C@@H]2C[C@@H]2C(=O)Oc2cc(C(=O)[O-])cc(F)c2C)c1 ZINC001599666319 994736272 /nfs/dbraw/zinc/73/62/72/994736272.db2.gz QEYFIXJXMISUGQ-GJZGRUSLSA-N -1 0 344.338 3.550 20 0 EHADRM COc1cccc(C2CC(Nc3ccc(C(=O)[O-])cc3OC)C2)c1 ZINC001599668530 994770502 /nfs/dbraw/zinc/77/05/02/994770502.db2.gz ZMNNBLZPVXXKRO-UHFFFAOYSA-N -1 0 327.380 3.760 20 0 EHADRM C[C@@H](NCc1nc2cc(C(=O)[O-])ccc2[nH]1)c1ccc(Cl)c(F)c1 ZINC001593311080 994776261 /nfs/dbraw/zinc/77/62/61/994776261.db2.gz BQBFLYXLAPIZDK-SECBINFHSA-N -1 0 347.777 3.904 20 0 EHADRM C[C@@H](NCc1nc(C(C)(C)C)cs1)c1ccccc1OCC(=O)[O-] ZINC001593311529 994783537 /nfs/dbraw/zinc/78/35/37/994783537.db2.gz HBJIACSMVMYEJX-GFCCVEGCSA-N -1 0 348.468 3.755 20 0 EHADRM COc1cccc(N(Cc2ccccc2CC(=O)[O-])CC(C)C)c1 ZINC001599678452 994936945 /nfs/dbraw/zinc/93/69/45/994936945.db2.gz WORWERMXIOOXIC-UHFFFAOYSA-N -1 0 327.424 3.985 20 0 EHADRM C[C@@H](Nc1cnn(-c2ccccc2Cl)c1)c1cc(C(=O)[O-])co1 ZINC001593367648 995058868 /nfs/dbraw/zinc/05/88/68/995058868.db2.gz PVMNVBNQOSZMQN-SNVBAGLBSA-N -1 0 331.759 3.990 20 0 EHADRM COC(=O)[C@@H](N[C@H](c1ccccc1)C(C)C)c1cccc(C(=O)[O-])c1 ZINC001598708595 995319813 /nfs/dbraw/zinc/31/98/13/995319813.db2.gz NVBKIKUZCSMCTO-ROUUACIJSA-N -1 0 341.407 3.586 20 0 EHADRM C[C@H](OC(=O)C12CCC(C(=O)[O-])(CC1)C2)c1cnc2ccccc2c1 ZINC001593502236 995508539 /nfs/dbraw/zinc/50/85/39/995508539.db2.gz WRPRLNCCWSIBNX-LJLKPOLSSA-N -1 0 339.391 3.874 20 0 EHADRM C[C@H](OC(=O)[C@@H]1CCSc2ccccc21)c1cc(C(=O)[O-])co1 ZINC001593513156 995520988 /nfs/dbraw/zinc/52/09/88/995520988.db2.gz DCNDCSWUEPCBOX-GXFFZTMASA-N -1 0 332.377 3.862 20 0 EHADRM C[C@@H](OC(=O)CCCc1ccc(F)c(F)c1)c1cc(C(=O)[O-])co1 ZINC001593526011 995565720 /nfs/dbraw/zinc/56/57/20/995565720.db2.gz QASXTFNDOUIALW-SNVBAGLBSA-N -1 0 338.306 3.883 20 0 EHADRM C[C@@H](OC(=O)Cc1ccc2c(c1)CCCC2)c1cc(C(=O)[O-])co1 ZINC001593537354 995603662 /nfs/dbraw/zinc/60/36/62/995603662.db2.gz PRQGFRBERGQWCC-GFCCVEGCSA-N -1 0 328.364 3.704 20 0 EHADRM Cc1cc(O)cc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000705587797 1015961885 /nfs/dbraw/zinc/96/18/85/1015961885.db2.gz WYBSBMQRZNDPBN-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM C[C@@H](OC(=O)c1c[nH]c(C(=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC001593553196 995633476 /nfs/dbraw/zinc/63/34/76/995633476.db2.gz LMCXVCMNRADQKT-MRVPVSSYSA-N -1 0 327.258 3.650 20 0 EHADRM C[C@@H](OC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(F)c(C(F)(F)F)c1 ZINC001593567573 995665305 /nfs/dbraw/zinc/66/53/05/995665305.db2.gz XUWSLKWILATOPZ-QNSHHTMESA-N -1 0 334.265 3.560 20 0 EHADRM CC(C)c1ccc(C(=O)[C@H](C)OC(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC001593575025 995680328 /nfs/dbraw/zinc/68/03/28/995680328.db2.gz NNHPBIZISSDXKQ-NSHDSACASA-N -1 0 330.336 3.529 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc(C)c(-c3ncco3)c2)c1F ZINC000180519463 1015965969 /nfs/dbraw/zinc/96/59/69/1015965969.db2.gz UWWRJJGOLJQPRN-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM C[C@@H](OC(=O)c1ccsc1Br)c1cc(C(=O)[O-])co1 ZINC001593598128 995743225 /nfs/dbraw/zinc/74/32/25/995743225.db2.gz VSVIKJNBHWTPKI-ZCFIWIBFSA-N -1 0 345.170 3.720 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC001593602609 995764329 /nfs/dbraw/zinc/76/43/29/995764329.db2.gz IKNKUCDUMFZQPZ-PBHICJAKSA-N -1 0 339.476 3.654 20 0 EHADRM COC(=O)[C@@H]1C[C@@H]2C[C@@H](Nc3ccc4sc(C(=O)[O-])cc4c3)[C@@H]2C1 ZINC001598761013 995776566 /nfs/dbraw/zinc/77/65/66/995776566.db2.gz SBQQFYIKYAAWLV-WGEPELCKSA-N -1 0 345.420 3.599 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001593604509 995777935 /nfs/dbraw/zinc/77/79/35/995777935.db2.gz SIWLEYRKMGATSY-SNVBAGLBSA-N -1 0 341.354 3.729 20 0 EHADRM C[C@@H](SCc1ccccc1C(=O)[O-])C(=O)N1CCc2ccccc21 ZINC001593663843 996046587 /nfs/dbraw/zinc/04/65/87/996046587.db2.gz UJLDRQDNFQVJNR-CYBMUJFWSA-N -1 0 341.432 3.596 20 0 EHADRM C[C@H](Sc1ccc(C(=O)[O-])cc1)C(=O)Nc1ccc(Cl)cn1 ZINC001593664139 996049540 /nfs/dbraw/zinc/04/95/40/996049540.db2.gz IHRXHSJUOPLANL-VIFPVBQESA-N -1 0 336.800 3.553 20 0 EHADRM C[C@@H](Sc1ccc(F)cc1)C(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC001593667011 996055130 /nfs/dbraw/zinc/05/51/30/996055130.db2.gz IKOJFGOOSUQZJX-LLVKDONJSA-N -1 0 345.395 3.594 20 0 EHADRM C[C@@H](Sc1ccccc1Br)C(=O)C(C)(C)C(=O)[O-] ZINC001593667520 996058415 /nfs/dbraw/zinc/05/84/15/996058415.db2.gz GKJPONOKOKZEIX-MRVPVSSYSA-N -1 0 331.231 3.610 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N[C@@H](C1CC1)C1CCC1)C(=O)[O-] ZINC001593668564 996064770 /nfs/dbraw/zinc/06/47/70/996064770.db2.gz DOUDQSJFAKOCAN-MEDUHNTESA-N -1 0 333.453 3.560 20 0 EHADRM C[C@@H](c1ccc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1)C(F)(F)F ZINC001593687115 996125162 /nfs/dbraw/zinc/12/51/62/996125162.db2.gz VEKXJMCYKNHVOE-COPLHBTASA-N -1 0 343.345 3.535 20 0 EHADRM C[C@H](c1ccc(F)c(F)c1)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001593692964 996141868 /nfs/dbraw/zinc/14/18/68/996141868.db2.gz IAZCLZAUSQMBDY-LLVKDONJSA-N -1 0 333.334 3.619 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(C(=O)[O-])n1C)C1CC1 ZINC001593694441 996149731 /nfs/dbraw/zinc/14/97/31/996149731.db2.gz UNKMFVSBCCWCQU-NSHDSACASA-N -1 0 346.814 3.743 20 0 EHADRM C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001593697222 996155183 /nfs/dbraw/zinc/15/51/83/996155183.db2.gz HGUZSGULUUSSNJ-JTQLQIEISA-N -1 0 334.322 3.888 20 0 EHADRM C[C@H](Cc1ccsc1)NC(=O)c1cccc(Br)c1[O-] ZINC000536689579 1032135180 /nfs/dbraw/zinc/13/51/80/1032135180.db2.gz CADWHKHRJICJIS-SECBINFHSA-N -1 0 340.242 3.577 20 0 EHADRM C[C@@H](c1ccc2c(c1)CCC2)[S@@](=O)CCc1ccccc1C(=O)[O-] ZINC001593698667 996165945 /nfs/dbraw/zinc/16/59/45/996165945.db2.gz HRQTXKJPDXQNGX-BSEYFRJRSA-N -1 0 342.460 3.926 20 0 EHADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001593698946 996167845 /nfs/dbraw/zinc/16/78/45/996167845.db2.gz PBACQFGENREQRW-MXMFLMJRSA-N -1 0 333.771 3.864 20 0 EHADRM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001593709788 996206728 /nfs/dbraw/zinc/20/67/28/996206728.db2.gz FALAXSAQYSJJIZ-ZDUSSCGKSA-N -1 0 326.396 3.716 20 0 EHADRM C[C@@H](c1ccccc1Cl)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001593712582 996215395 /nfs/dbraw/zinc/21/53/95/996215395.db2.gz CZSKNJIYQCRVAW-LBPRGKRZSA-N -1 0 331.799 3.994 20 0 EHADRM C[C@H](c1ccccc1)n1ccc(NC(=O)c2ccsc2C(=O)[O-])n1 ZINC001593713298 996219914 /nfs/dbraw/zinc/21/99/14/996219914.db2.gz GJYRVIMTFDHYGW-LLVKDONJSA-N -1 0 341.392 3.504 20 0 EHADRM C[C@@H](c1ccccc1)n1ccc(NC(=O)c2ccsc2C(=O)[O-])n1 ZINC001593713299 996219967 /nfs/dbraw/zinc/21/99/67/996219967.db2.gz GJYRVIMTFDHYGW-NSHDSACASA-N -1 0 341.392 3.504 20 0 EHADRM C[C@H](c1ccco1)N(C)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001593719895 996246682 /nfs/dbraw/zinc/24/66/82/996246682.db2.gz VMDKZUWFFOFYCC-BYCMXARLSA-N -1 0 328.368 3.693 20 0 EHADRM C[C@@H](c1nc(-c2cccc(C(=O)[O-])c2)no1)N1CCc2ccccc2C1 ZINC001593725646 996280960 /nfs/dbraw/zinc/28/09/60/996280960.db2.gz ZIVHMLVVBHNJBE-ZDUSSCGKSA-N -1 0 349.390 3.554 20 0 EHADRM C[C@@H](c1ncc(C(=O)[O-])s1)N1CCc2c(Cl)cc(F)cc2C1 ZINC001593738079 996343278 /nfs/dbraw/zinc/34/32/78/996343278.db2.gz WMJMYFBQPDKLPI-QMMMGPOBSA-N -1 0 340.807 3.753 20 0 EHADRM C[C@]1(Br)C[C@H]1C(=O)Oc1cc2ccccc2cc1C(=O)[O-] ZINC001593739127 996351817 /nfs/dbraw/zinc/35/18/17/996351817.db2.gz DEMTVBGVZIUFNS-LRDDRELGSA-N -1 0 349.180 3.617 20 0 EHADRM CC1(C)C[C@@]1(C(=O)N1CCc2c(cccc2C(=O)[O-])C1)c1ccccc1 ZINC001593864508 996666859 /nfs/dbraw/zinc/66/68/59/996666859.db2.gz VZCHXDSSDCEQRK-QFIPXVFZSA-N -1 0 349.430 3.637 20 0 EHADRM CC1(C)CC[C@@H](CC(=O)N(c2ccccc2C(=O)[O-])C2CCC2)OC1 ZINC001593874436 996690446 /nfs/dbraw/zinc/69/04/46/996690446.db2.gz UBGRYOBRWYNISN-HNNXBMFYSA-N -1 0 345.439 3.866 20 0 EHADRM CC1(C)CCC(C)(CNC(=O)Nc2cccc(OCC(=O)[O-])c2)CC1 ZINC001593874638 996691325 /nfs/dbraw/zinc/69/13/25/996691325.db2.gz XHYYETCFLNGTQW-UHFFFAOYSA-N -1 0 348.443 3.878 20 0 EHADRM CC1(C)CC[C@@H](C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[C@@H](c2ccccc2)C1 ZINC001593874860 996692415 /nfs/dbraw/zinc/69/24/15/996692415.db2.gz QGNJOSLBDHGZHO-XMTFNYHQSA-N -1 0 343.467 3.966 20 0 EHADRM CC1(C)CCC[C@](NC(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)(C(=O)[O-])C1 ZINC001593892513 996741574 /nfs/dbraw/zinc/74/15/74/996741574.db2.gz SSINNUIXDHZETN-JRPNMDOOSA-N -1 0 335.366 3.505 20 0 EHADRM CC1(C)CCC[C@@](NC(=O)c2cc(F)ccc2Cl)(C(=O)[O-])C1 ZINC001593893237 996745859 /nfs/dbraw/zinc/74/58/59/996745859.db2.gz YYJCRHNYJKOKOH-INIZCTEOSA-N -1 0 327.783 3.633 20 0 EHADRM CC1(C)CCC[C@H]1[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC001593898327 996760781 /nfs/dbraw/zinc/76/07/81/996760781.db2.gz URKPSTQFDBQUAT-HIFRSBDPSA-N -1 0 333.403 3.812 20 0 EHADRM COc1ccc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1Cl ZINC001599486101 996851953 /nfs/dbraw/zinc/85/19/53/996851953.db2.gz RTSQSCSLKPKBPB-UHFFFAOYSA-N -1 0 333.771 3.916 20 0 EHADRM CC1(C)CN(C(=O)/C=C/c2cc(C(=O)[O-])co2)c2ccccc2S1 ZINC001593928804 996879349 /nfs/dbraw/zinc/87/93/49/996879349.db2.gz UIXFNVRMWSZPEK-BQYQJAHWSA-N -1 0 343.404 3.909 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccc(C(=O)[O-])s2)CCc2ccccc21 ZINC001593934074 996895507 /nfs/dbraw/zinc/89/55/07/996895507.db2.gz FYDDCAZHSHDFKN-UHFFFAOYSA-N -1 0 344.436 3.814 20 0 EHADRM CC1(C)CN(C(=O)c2ccc(/C=C/C(=O)[O-])o2)c2ccccc2S1 ZINC001593936399 996917389 /nfs/dbraw/zinc/91/73/89/996917389.db2.gz FRVFSQFAIJSBQI-CSKARUKUSA-N -1 0 343.404 3.909 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2ccc(-c3cccs3)o2)c1 ZINC001599489843 996918794 /nfs/dbraw/zinc/91/87/94/996918794.db2.gz MUHNKJQVSRSTRE-UHFFFAOYSA-N -1 0 343.360 3.967 20 0 EHADRM COC(=O)Nc1cccc(N[C@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC001598887821 996932765 /nfs/dbraw/zinc/93/27/65/996932765.db2.gz FIRZCHWPIVONQB-AWEZNQCLSA-N -1 0 334.759 3.756 20 0 EHADRM COCc1cc(NC(=O)N2C[C@@H](C)CCC[C@H]2C)cc(C(=O)[O-])c1 ZINC001599286437 996987628 /nfs/dbraw/zinc/98/76/28/996987628.db2.gz YCZSKYBSBIMWNP-QWHCGFSZSA-N -1 0 334.416 3.574 20 0 EHADRM COCc1cc(N[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)cc(C(=O)[O-])c1 ZINC001599288245 997019177 /nfs/dbraw/zinc/01/91/77/997019177.db2.gz RZRPHUSQRQHHRR-JKSUJKDBSA-N -1 0 335.444 3.925 20 0 EHADRM COc1ccc(C(=O)[O-])c2c1CN(C(=O)[C@H](C)[C@H](C)C(C)(C)C)CC2 ZINC001599496550 997028810 /nfs/dbraw/zinc/02/88/10/997028810.db2.gz GEVVASGYRKEURS-OLZOCXBDSA-N -1 0 347.455 3.596 20 0 EHADRM COCc1cc(NC[C@@H]2CCOc3ccccc32)cc(C(=O)[O-])c1 ZINC001599289595 997040532 /nfs/dbraw/zinc/04/05/32/997040532.db2.gz IQWSCGPWMOVJFI-AWEZNQCLSA-N -1 0 327.380 3.509 20 0 EHADRM COCc1csc(C(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])c1 ZINC001599299675 997208248 /nfs/dbraw/zinc/20/82/48/997208248.db2.gz CMARQHZJINOYHW-UHFFFAOYSA-N -1 0 339.800 3.807 20 0 EHADRM CC1(C2CC2)CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CC1 ZINC001593988122 997236832 /nfs/dbraw/zinc/23/68/32/997236832.db2.gz HVRYPZLVMQSTIU-DLBZAZTESA-N -1 0 342.439 3.919 20 0 EHADRM CC1(CC(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)CCCC1 ZINC001593996329 997305325 /nfs/dbraw/zinc/30/53/25/997305325.db2.gz QEGJNEQJXNQUOB-JKSUJKDBSA-N -1 0 349.858 3.937 20 0 EHADRM CO[C@@H]1C[C@@H]([NH2+][C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1(C)C ZINC001599097539 997311593 /nfs/dbraw/zinc/31/15/93/997311593.db2.gz QXLKGYWADKSVMI-UPJWGTAASA-N -1 0 332.227 3.522 20 0 EHADRM CC1(CCC(=O)N[C@@H](CC(=O)[O-])c2ccc(C(F)(F)F)cc2)CC1 ZINC001593999467 997349306 /nfs/dbraw/zinc/34/93/06/997349306.db2.gz NTQJGZIPGZPUPN-ZDUSSCGKSA-N -1 0 343.345 3.918 20 0 EHADRM COc1ccc([C@H](NC(=O)CCCCC(C)C)C(=O)[O-])cc1Cl ZINC001599515112 997371210 /nfs/dbraw/zinc/37/12/10/997371210.db2.gz CHEGZQJINYBQAW-INIZCTEOSA-N -1 0 341.835 3.807 20 0 EHADRM CON(C(=O)/C(C)=C/c1c(Cl)cccc1Cl)[C@@H](C)CC(=O)[O-] ZINC001599309302 997385251 /nfs/dbraw/zinc/38/52/51/997385251.db2.gz CEOVKAQVOHTFDA-PCYYEKQGSA-N -1 0 346.210 3.650 20 0 EHADRM CON(C[C@H]1CCC[C@H](C)C1)C(=O)CCc1ccccc1C(=O)[O-] ZINC001599317350 997523852 /nfs/dbraw/zinc/52/38/52/997523852.db2.gz JXMPHUJEZLCRHN-GJZGRUSLSA-N -1 0 333.428 3.534 20 0 EHADRM CON(C[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001599317543 997526248 /nfs/dbraw/zinc/52/62/48/997526248.db2.gz OTOBGLISUDRQAS-NEPJUHHUSA-N -1 0 338.379 3.746 20 0 EHADRM CON(C[C@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC001599317960 997531853 /nfs/dbraw/zinc/53/18/53/997531853.db2.gz WZLRDJZGVYNALP-QWRGUYRKSA-N -1 0 326.418 3.668 20 0 EHADRM COc1cc(COC(=O)c2ccc(C)c(C(=O)[O-])c2)ccc1Cl ZINC001599417751 997539793 /nfs/dbraw/zinc/53/97/93/997539793.db2.gz PEXRXZUINCTTPX-UHFFFAOYSA-N -1 0 334.755 3.712 20 0 EHADRM COc1cc(Cl)c(F)c(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC001599419356 997566444 /nfs/dbraw/zinc/56/64/44/997566444.db2.gz FKZQWIWZCZUQDH-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM COc1cc(Cl)c(F)c(C(=O)Nc2scc(C)c2C(=O)[O-])c1 ZINC001599419330 997567075 /nfs/dbraw/zinc/56/70/75/997567075.db2.gz DFAQYLWRMZDQSX-UHFFFAOYSA-N -1 0 343.763 3.808 20 0 EHADRM COc1cc(Cl)c(NC(=O)c2ccsc2CC(=O)[O-])cc1C ZINC001599419913 997575913 /nfs/dbraw/zinc/57/59/13/997575913.db2.gz QVWJNQCBRFCXMF-UHFFFAOYSA-N -1 0 339.800 3.598 20 0 EHADRM COc1cc(Cl)cc(C(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)c1 ZINC001599419966 997576837 /nfs/dbraw/zinc/57/68/37/997576837.db2.gz SJVVZOQDFDQFSB-INIZCTEOSA-N -1 0 347.798 3.521 20 0 EHADRM CO[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001599322221 997601737 /nfs/dbraw/zinc/60/17/37/997601737.db2.gz GRMRBBKMTZFDLR-CHWSQXEVSA-N -1 0 348.424 3.679 20 0 EHADRM C[C@]1(Cc2ccccc2F)CCCN1C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001594041290 997657778 /nfs/dbraw/zinc/65/77/78/997657778.db2.gz FDBSWFQAPCSKRG-QEEYODRMSA-N -1 0 347.430 3.640 20 0 EHADRM COC(=O)c1cc(CN(c2ccccc2)C(C)C)cc(C(=O)[O-])c1 ZINC001598930144 997733854 /nfs/dbraw/zinc/73/38/54/997733854.db2.gz XJUKHZKWEUSECA-UHFFFAOYSA-N -1 0 327.380 3.586 20 0 EHADRM COc1ccc(C)cc1[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001599535640 997739805 /nfs/dbraw/zinc/73/98/05/997739805.db2.gz GHESRQHMEYXZIO-LLVKDONJSA-N -1 0 346.358 3.724 20 0 EHADRM COc1ccc(C)cc1[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])sc1C ZINC001599536048 997744894 /nfs/dbraw/zinc/74/48/94/997744894.db2.gz STVJFCLUZPDWIF-SNVBAGLBSA-N -1 0 348.424 3.954 20 0 EHADRM COc1c(C)cc(Cl)cc1NC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C ZINC001599330955 997747459 /nfs/dbraw/zinc/74/74/59/997747459.db2.gz GMDKWMKUNGQVRN-LBPRGKRZSA-N -1 0 342.823 3.668 20 0 EHADRM COc1c(C)cc(Cl)cc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC001599331743 997759864 /nfs/dbraw/zinc/75/98/64/997759864.db2.gz RNGNEDJWKNCXLD-UHFFFAOYSA-N -1 0 333.771 3.536 20 0 EHADRM CC1(NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)CCC(F)(F)CC1 ZINC001594056507 997800214 /nfs/dbraw/zinc/80/02/14/997800214.db2.gz AQTREKPFDIVCRC-UHFFFAOYSA-N -1 0 330.306 3.613 20 0 EHADRM COc1cc(NC(=O)N(CC(C)C)CC(C)(C)C)ccc1C(=O)[O-] ZINC001599434080 997810942 /nfs/dbraw/zinc/81/09/42/997810942.db2.gz SHJNOGREYLNDKG-UHFFFAOYSA-N -1 0 336.432 3.929 20 0 EHADRM COc1c(NC(=O)[C@@H](C)SCc2ccccc2)cccc1C(=O)[O-] ZINC001599337871 997868538 /nfs/dbraw/zinc/86/85/38/997868538.db2.gz OMHFVMXKSHXXIK-GFCCVEGCSA-N -1 0 345.420 3.654 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)/C=C(/C)c1ccccc1 ZINC001599543196 997878800 /nfs/dbraw/zinc/87/88/00/997878800.db2.gz MJKWODIMGMBNRW-YJKQCFOZSA-N -1 0 338.359 3.802 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)c1ccc(Cl)cc1C ZINC001599544448 997900011 /nfs/dbraw/zinc/90/00/11/997900011.db2.gz HHTCSVHJXBQNGA-YWEYNIOJSA-N -1 0 346.766 3.974 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])c2)cs1 ZINC000013467661 1016165662 /nfs/dbraw/zinc/16/56/62/1016165662.db2.gz WGBXXIFLAXSGOQ-GJZGRUSLSA-N -1 0 342.420 3.724 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)c1ccc(C)c(F)c1F ZINC001599546490 997931597 /nfs/dbraw/zinc/93/15/97/997931597.db2.gz OJEWJHWPFCLVCP-YVMONPNESA-N -1 0 348.301 3.599 20 0 EHADRM COc1c(NC(=O)c2sc(CC(C)C)nc2C)cccc1C(=O)[O-] ZINC001599342481 997944503 /nfs/dbraw/zinc/94/45/03/997944503.db2.gz MAYPIOGSMYPBBV-UHFFFAOYSA-N -1 0 348.424 3.609 20 0 EHADRM COc1cc(N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]23)ccc1C(F)(F)F ZINC001599442315 997949377 /nfs/dbraw/zinc/94/93/77/997949377.db2.gz AMBUUHXJHTZSPU-FIQUKUQUSA-N -1 0 329.318 3.625 20 0 EHADRM COc1c(N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)ncnc1C(=O)[O-] ZINC001599343072 997954602 /nfs/dbraw/zinc/95/46/02/997954602.db2.gz JPMVEDDGAWPXBK-JIMOISOXSA-N -1 0 347.802 3.646 20 0 EHADRM COc1cc(N[C@H](C)CC(C)(C)CC(=O)[O-])ccc1OC(F)F ZINC001599442738 997956259 /nfs/dbraw/zinc/95/62/59/997956259.db2.gz HJJITBNGCSLRDO-SNVBAGLBSA-N -1 0 331.359 3.988 20 0 EHADRM COc1cc(NC(=O)c2ccccc2OCC(C)C)ccc1C(=O)[O-] ZINC001599443292 997966213 /nfs/dbraw/zinc/96/62/13/997966213.db2.gz YFZSVGKRXMRIJV-UHFFFAOYSA-N -1 0 343.379 3.681 20 0 EHADRM C[C@]1(c2ccccc2)CCCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001594079518 997968254 /nfs/dbraw/zinc/96/82/54/997968254.db2.gz GHRIAEBXMQEQFG-LJQANCHMSA-N -1 0 327.355 3.675 20 0 EHADRM COc1ccc(CC(=O)Nc2cc(C(=O)[O-])ccc2Cl)c(C)c1 ZINC001599548715 997968948 /nfs/dbraw/zinc/96/89/48/997968948.db2.gz OWAFIWRXLYSDRB-UHFFFAOYSA-N -1 0 333.771 3.536 20 0 EHADRM COCC[N@H+](Cc1ccc(C(=O)[O-])c(F)c1)Cc1ccc(C)cc1C ZINC001599237777 997977187 /nfs/dbraw/zinc/97/71/87/997977187.db2.gz FIMZJLXRSVPEMC-UHFFFAOYSA-N -1 0 345.414 3.789 20 0 EHADRM CC12CC3(C)CC(C)(C1)CC(C(=O)OCc1oncc1C(=O)[O-])(C2)C3 ZINC001594086273 998009438 /nfs/dbraw/zinc/00/94/38/998009438.db2.gz XSRQBTKPAOGNNV-UHFFFAOYSA-N -1 0 347.411 3.803 20 0 EHADRM COc1cc(OC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)ccc1C(=O)[O-] ZINC001599446457 998017008 /nfs/dbraw/zinc/01/70/08/998017008.db2.gz VIQVZKQJPKJTCS-HUUCEWRRSA-N -1 0 346.766 3.756 20 0 EHADRM COc1ccc(CCC(=O)Oc2ccc(Cl)cc2C(=O)[O-])cc1 ZINC001599552981 998041283 /nfs/dbraw/zinc/04/12/83/998041283.db2.gz SQMXFOILCQGLNI-UHFFFAOYSA-N -1 0 334.755 3.585 20 0 EHADRM COc1ccc(CCC(=O)Nc2ccc(C)c(C)c2C(=O)[O-])cc1F ZINC001599553012 998042457 /nfs/dbraw/zinc/04/24/57/998042457.db2.gz SGNAEMLNYYOYRM-UHFFFAOYSA-N -1 0 345.370 3.721 20 0 EHADRM COc1ccc(CC[C@H](C)Nc2cc(C)cc(C(=O)[O-])c2)cc1O ZINC001599553662 998053419 /nfs/dbraw/zinc/05/34/19/998053419.db2.gz PHKNGPQJQGCSGK-ZDUSSCGKSA-N -1 0 329.396 3.841 20 0 EHADRM COc1cc(OC)c(N[C@H](C)c2cc(C(=O)[O-])cs2)cc1F ZINC001599448866 998056734 /nfs/dbraw/zinc/05/67/34/998056734.db2.gz LMWNSQAXUOXZMS-MRVPVSSYSA-N -1 0 325.361 3.776 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000683323425 1016180735 /nfs/dbraw/zinc/18/07/35/1016180735.db2.gz CBAWNZGDMBASDM-AWEZNQCLSA-N -1 0 343.345 3.651 20 0 EHADRM CC1=C(C(=O)[O-])[C@@H](c2cccc(Cl)c2Cl)NC(=O)N1C1CC1 ZINC001594098043 998077666 /nfs/dbraw/zinc/07/76/66/998077666.db2.gz OQYXNIPVVALBDY-CYBMUJFWSA-N -1 0 341.194 3.581 20 0 EHADRM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCCc3c(C)cccc32)c1 ZINC001599450235 998079600 /nfs/dbraw/zinc/07/96/00/998079600.db2.gz BKGIYELSSYWSNS-IBGZPJMESA-N -1 0 341.407 3.591 20 0 EHADRM Cc1sccc1[C@@H]1NC(=O)N(Cc2cccs2)C(C)=C1C(=O)[O-] ZINC001594099015 998091566 /nfs/dbraw/zinc/09/15/66/998091566.db2.gz RUDHDZIXMFJFBP-AWEZNQCLSA-N -1 0 348.449 3.743 20 0 EHADRM COc1cc(C(=O)N(c2ccccc2C(=O)[O-])C2CCC2)ccc1C ZINC001599351756 998107412 /nfs/dbraw/zinc/10/74/12/998107412.db2.gz GCGBOMNZRLKHBC-UHFFFAOYSA-N -1 0 339.391 3.901 20 0 EHADRM CC1=C(C)C[C@](C)(C(=O)N2C[C@H](C(=O)[O-])Cc3ccccc32)CC1 ZINC001594109149 998190672 /nfs/dbraw/zinc/19/06/72/998190672.db2.gz FRUNCSRSPYPAKJ-OXQOHEQNSA-N -1 0 327.424 3.803 20 0 EHADRM COc1cc(OCc2coc(-c3ccccc3)n2)ccc1C(=O)[O-] ZINC001599457142 998206684 /nfs/dbraw/zinc/20/66/84/998206684.db2.gz XYKDBYYFQDJNKR-UHFFFAOYSA-N -1 0 325.320 3.627 20 0 EHADRM COc1cc(Oc2ncnc3cc(Cl)ccc32)ccc1C(=O)[O-] ZINC001599457863 998219301 /nfs/dbraw/zinc/21/93/01/998219301.db2.gz SDHZSOGJSJGTME-UHFFFAOYSA-N -1 0 330.727 3.782 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)CCCC2CCCCC2)c1O ZINC001599358803 998224261 /nfs/dbraw/zinc/22/42/61/998224261.db2.gz FFYIXYMWNLIRAA-UHFFFAOYSA-N -1 0 335.400 3.788 20 0 EHADRM C[C@H]1C(=O)CC[C@@H](C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C1(C)C ZINC001594121347 998278735 /nfs/dbraw/zinc/27/87/35/998278735.db2.gz FQSCWPMAPABJKO-WFASDCNBSA-N -1 0 345.439 3.629 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC[C@H](C)c2ccc(C)cc2)c1OC ZINC001599362324 998281451 /nfs/dbraw/zinc/28/14/51/998281451.db2.gz UTQNUNYIELQZBJ-ZDUSSCGKSA-N -1 0 329.396 3.926 20 0 EHADRM COCCOc1ccc(NCc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC001599259312 998358381 /nfs/dbraw/zinc/35/83/81/998358381.db2.gz PRZRHNMXGLVCNL-UHFFFAOYSA-N -1 0 335.787 3.676 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC001594134320 998363863 /nfs/dbraw/zinc/36/38/63/998363863.db2.gz AOEBGWQEDKJQMG-CWKOXWSKSA-N -1 0 341.451 3.528 20 0 EHADRM COCCOc1ccc(F)cc1N[C@@H](C)c1cc(C(=O)[O-])cs1 ZINC001599259750 998365482 /nfs/dbraw/zinc/36/54/82/998365482.db2.gz WFYQBGAXXOGHMQ-JTQLQIEISA-N -1 0 339.388 3.784 20 0 EHADRM COc1cc2nc(NCc3cc(C(=O)[O-])oc3C)sc2cc1OC ZINC001599467180 998382938 /nfs/dbraw/zinc/38/29/38/998382938.db2.gz WWKCHNAJHUAMGN-UHFFFAOYSA-N -1 0 348.380 3.525 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)C[C@H](C)c1cccc(F)c1 ZINC001599370456 998401512 /nfs/dbraw/zinc/40/15/12/998401512.db2.gz WXWWKXMQIQRDSJ-NSHDSACASA-N -1 0 331.343 3.665 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N1CC=CC12CCCCC2 ZINC001599371655 998419015 /nfs/dbraw/zinc/41/90/15/998419015.db2.gz TVKFOIGSZGSVIN-UHFFFAOYSA-N -1 0 330.384 3.500 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@H](c1ccccc1)C(C)C ZINC001599371938 998424809 /nfs/dbraw/zinc/42/48/09/998424809.db2.gz XAEDGQIZNGPHMV-KRWDZBQOSA-N -1 0 327.380 3.772 20 0 EHADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)CSCc1ccc(C(C)(C)C)cc1 ZINC001594146638 998485636 /nfs/dbraw/zinc/48/56/36/998485636.db2.gz CLXGVDYDJGEGIP-XJKSGUPXSA-N -1 0 349.496 3.539 20 0 EHADRM COc1ccc(Cl)cc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001599580569 998523509 /nfs/dbraw/zinc/52/35/09/998523509.db2.gz ZJTIMGHELHKMBC-UHFFFAOYSA-N -1 0 337.734 3.747 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001594153481 998547215 /nfs/dbraw/zinc/54/72/15/998547215.db2.gz NFQOKKGBBWZEAA-JFUSQASVSA-N -1 0 348.296 3.586 20 0 EHADRM COCOc1ccc(CCC(=O)[O-])cc1NC(=O)/C=C(\C)C(C)(C)C ZINC001599274638 998593168 /nfs/dbraw/zinc/59/31/68/998593168.db2.gz ISWOPZCKSRLCGW-JLHYYAGUSA-N -1 0 349.427 3.617 20 0 EHADRM C[C@@H]1[C@@H](C(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)[C@H]1c1ccccc1 ZINC001594175284 998671369 /nfs/dbraw/zinc/67/13/69/998671369.db2.gz WFGAWLDTYGEGJP-AMKSKSKJSA-N -1 0 330.767 3.993 20 0 EHADRM C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001594197191 998763088 /nfs/dbraw/zinc/76/30/88/998763088.db2.gz PFPQYVYYBWWQIG-JOYOIKCWSA-N -1 0 331.393 3.543 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001594197419 998764254 /nfs/dbraw/zinc/76/42/54/998764254.db2.gz SDBCGGOCVMNTGS-WFASDCNBSA-N -1 0 344.436 3.534 20 0 EHADRM CC1CC(C(=O)NC[C@H](CC(=O)[O-])C2CC2)(c2cccc(Cl)c2)C1 ZINC001594201684 998780868 /nfs/dbraw/zinc/78/08/68/998780868.db2.gz YGYPQNWDVXFDGR-MMSRSVNZSA-N -1 0 349.858 3.625 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1C(=O)c1cc2cc(Cl)ccc2o1 ZINC001594205412 998788404 /nfs/dbraw/zinc/78/84/04/998788404.db2.gz CRSBOZWWDPKQHP-PEGIJTEDSA-N -1 0 335.787 3.800 20 0 EHADRM COC(=O)c1cccc(OC)c1CSCc1ccccc1C(=O)[O-] ZINC001598998775 998804898 /nfs/dbraw/zinc/80/48/98/998804898.db2.gz JJVRPHZFIGCTBN-UHFFFAOYSA-N -1 0 346.404 3.613 20 0 EHADRM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001594215328 998829171 /nfs/dbraw/zinc/82/91/71/998829171.db2.gz RUYQHHJFZARLQM-UKRRQHHQSA-N -1 0 332.444 3.992 20 0 EHADRM CCc1cnc([N-]S(=O)(=O)Cc2cc(Cl)sc2Cl)o1 ZINC000650456001 1016254790 /nfs/dbraw/zinc/25/47/90/1016254790.db2.gz DRTVERDIAKTOED-UHFFFAOYSA-N -1 0 341.241 3.547 20 0 EHADRM CC(C)Oc1c(NC(=O)N2C[C@@H](C)C[C@H](C)C2)cccc1C(=O)[O-] ZINC001594221411 998852599 /nfs/dbraw/zinc/85/25/99/998852599.db2.gz NFFBEPITAASYBO-STQMWFEESA-N -1 0 334.416 3.682 20 0 EHADRM C[C@@H]1C[C@H](CC(=O)N[C@H](C(=O)[O-])c2ccccc2F)CC(C)(C)C1 ZINC001594230966 998877321 /nfs/dbraw/zinc/87/73/21/998877321.db2.gz AAKROIZBVJKHRV-XNJGSVPQSA-N -1 0 335.419 3.920 20 0 EHADRM C[C@H]1C[C@@H](CC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])CC(C)(C)C1 ZINC001594232072 998882912 /nfs/dbraw/zinc/88/29/12/998882912.db2.gz FMJJXGNDDNSPSS-QRTARXTBSA-N -1 0 349.446 3.790 20 0 EHADRM C[C@H]1C[C@@H](CCNC(=O)C23CCC(C(=O)[O-])(CC2)C3)CC(C)(C)C1 ZINC001594232824 998888415 /nfs/dbraw/zinc/88/84/15/998888415.db2.gz SEBVDJDJBOHOHE-RETIVCARSA-N -1 0 335.488 3.990 20 0 EHADRM C[C@@H]1C[C@@H](CC(=O)NCCc2ccc(C(=O)[O-])cc2)CC(C)(C)C1 ZINC001594233676 998890785 /nfs/dbraw/zinc/89/07/85/998890785.db2.gz YXSYMDUBBRXWPL-ZBFHGGJFSA-N -1 0 331.456 3.896 20 0 EHADRM COC(=O)c1cnoc1CSc1cc2ccccc2cc1C(=O)[O-] ZINC001599012475 998910293 /nfs/dbraw/zinc/91/02/93/998910293.db2.gz FXSNWBYZYGEKLC-UHFFFAOYSA-N -1 0 343.360 3.605 20 0 EHADRM CO[C@H](C(=O)[O-])c1ccccc1OCCOc1c(C)cccc1C ZINC001599025730 999015231 /nfs/dbraw/zinc/01/52/31/999015231.db2.gz FFHSEROYNDEVDV-SFHVURJKSA-N -1 0 330.380 3.533 20 0 EHADRM CO[C@H](C(=O)[O-])c1ccccc1OCc1ccc(OC(C)C)cc1 ZINC001599026408 999019003 /nfs/dbraw/zinc/01/90/03/999019003.db2.gz LIDJBFQGXKDUIP-SFHVURJKSA-N -1 0 330.380 3.825 20 0 EHADRM CO[C@H](C(=O)[O-])c1ccccc1OCc1nc(C(F)(F)F)cs1 ZINC001599026570 999020674 /nfs/dbraw/zinc/02/06/74/999020674.db2.gz MSGRDAZCWVYFRW-LBPRGKRZSA-N -1 0 347.314 3.513 20 0 EHADRM CO[C@H](C(=O)Nc1sc(C)c(C)c1C(=O)[O-])c1ccc(F)cc1 ZINC001599026751 999021492 /nfs/dbraw/zinc/02/14/92/999021492.db2.gz LXJXKBALHHYBDO-ZDUSSCGKSA-N -1 0 337.372 3.528 20 0 EHADRM CO[C@@H](C(=O)Nc1cc(-c2ccccc2)sc1C(=O)[O-])C1CCC1 ZINC001599027836 999028880 /nfs/dbraw/zinc/02/88/80/999028880.db2.gz WOWHBJNNZMCWIN-OAHLLOKOSA-N -1 0 345.420 3.867 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)N(C(=O)c2ccccc2CCC(=O)[O-])C1 ZINC001594269609 999042342 /nfs/dbraw/zinc/04/23/42/999042342.db2.gz LFDUTIXXESEXAM-HNAYVOBHSA-N -1 0 337.419 3.927 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C1 ZINC001594270042 999043115 /nfs/dbraw/zinc/04/31/15/999043115.db2.gz PAWOHTKHPDZIGW-WVZRYYJFSA-N -1 0 348.418 3.562 20 0 EHADRM CO[C@](C)([C@@H](C)Nc1nc(C)nc2sc(C(=O)[O-])c(C)c21)C1CC1 ZINC001599036136 999084615 /nfs/dbraw/zinc/08/46/15/999084615.db2.gz GUMORZYHIOXHFY-VVVCHXIZSA-N -1 0 349.456 3.622 20 0 EHADRM CO[C@H](C)C(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)[O-] ZINC001599036994 999090066 /nfs/dbraw/zinc/09/00/66/999090066.db2.gz ZGJKOPKFYKNXTD-MRVPVSSYSA-N -1 0 339.800 3.740 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N2[C@@H]3CC[C@H]2CC(C)C3)cc1)C(=O)[O-] ZINC001594290775 999119672 /nfs/dbraw/zinc/11/96/72/999119672.db2.gz FKPPBKOJQYISCZ-IFWAZGHOSA-N -1 0 330.428 3.745 20 0 EHADRM C[C@@H]1CC[C@](C)(/C=C/C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)C1(C)C ZINC001594295403 999136218 /nfs/dbraw/zinc/13/62/18/999136218.db2.gz BDCZHLCNNRQYIK-XZVVRSNPSA-N -1 0 333.472 3.718 20 0 EHADRM C[C@@H]1CC[C@](C)(/C=C\C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])C1(C)C ZINC001594295785 999139037 /nfs/dbraw/zinc/13/90/37/999139037.db2.gz HAAFYURYNPVNFK-ACNMBLRDSA-N -1 0 343.467 3.817 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001594297723 999148726 /nfs/dbraw/zinc/14/87/26/999148726.db2.gz ZNMOMXZOMBJNBA-OLMMMNRUSA-N -1 0 338.492 3.591 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001594298320 999150861 /nfs/dbraw/zinc/15/08/61/999150861.db2.gz HEWXWAQEDSRZBO-VVSSRQIVSA-N -1 0 333.428 3.816 20 0 EHADRM C[C@H]1CC[C@H](CCC(=O)Nc2cc(C(=O)[O-])cc(Cl)c2Cl)O1 ZINC001594301785 999165424 /nfs/dbraw/zinc/16/54/24/999165424.db2.gz HQXNVNKWJGZGFY-WCBMZHEXSA-N -1 0 346.210 3.978 20 0 EHADRM CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001599063890 999285372 /nfs/dbraw/zinc/28/53/72/999285372.db2.gz OCXGRTHJMFOZLW-BZNIZROVSA-N -1 0 347.798 3.544 20 0 EHADRM C[C@@H]1CCC[C@H](NC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CC1 ZINC001594353004 999337666 /nfs/dbraw/zinc/33/76/66/999337666.db2.gz YVQXKQYZDOBLPJ-NQZOLGFYSA-N -1 0 330.428 3.965 20 0 EHADRM C[C@@H]1CCC[C@@H](OCC(=O)O[C@@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001594354289 999338603 /nfs/dbraw/zinc/33/86/03/999338603.db2.gz BWKJTTMPWYDGIO-XHBSWPGZSA-N -1 0 340.803 3.604 20 0 EHADRM C[C@@H]1CCC[C@H]1CC(=O)N1CCCC[C@H]1c1ccc(C(=O)[O-])n1C ZINC001594357082 999350029 /nfs/dbraw/zinc/35/00/29/999350029.db2.gz ITUZOVJSVCNXHC-YCPHGPKFSA-N -1 0 332.444 3.603 20 0 EHADRM C[C@H]1CCC[C@@H]1CC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001594357891 999353327 /nfs/dbraw/zinc/35/33/27/999353327.db2.gz QMNJARAZSIWOMA-QWHCGFSZSA-N -1 0 329.396 3.616 20 0 EHADRM C[C@@H]1CCC[C@H]1CC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001594358264 999355188 /nfs/dbraw/zinc/35/51/88/999355188.db2.gz WNSBFLWCPDNQGK-NQZOLGFYSA-N -1 0 349.858 3.793 20 0 EHADRM C[C@H]1CCCC[C@H]1CC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O ZINC001594363578 999372624 /nfs/dbraw/zinc/37/26/24/999372624.db2.gz HMMLYDVSWNOISK-UWVGGRQHSA-N -1 0 325.792 3.899 20 0 EHADRM C[C@@H]1CCCC[C@@H]1C(=O)N[C@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001594363798 999373792 /nfs/dbraw/zinc/37/37/92/999373792.db2.gz LRTJOJRAMOLRHL-QSOKESPWSA-N -1 0 343.467 3.892 20 0 EHADRM C[C@@H]1CCCC[C@H]1Cc1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC001594367274 999387872 /nfs/dbraw/zinc/38/78/72/999387872.db2.gz QBRVJYLIGHNEFQ-OLZOCXBDSA-N -1 0 330.384 3.716 20 0 EHADRM C[C@@H]1CCCCN1C(=O)CSCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001594370574 999397093 /nfs/dbraw/zinc/39/70/93/999397093.db2.gz RNTJLNQBTYNEFN-LLVKDONJSA-N -1 0 341.860 3.672 20 0 EHADRM C[C@H]1CCN(C(=O)CCc2ccc(Cl)c(Cl)c2)[C@H](C(=O)[O-])C1 ZINC001594400393 999498970 /nfs/dbraw/zinc/49/89/70/999498970.db2.gz GLLDPQDBKXRUTB-HZMBPMFUSA-N -1 0 344.238 3.638 20 0 EHADRM C[C@H]1CCN(Cc2nc3cc(C(=O)[O-])ccc3[nH]2)[C@H](c2ccco2)C1 ZINC001594427829 999599260 /nfs/dbraw/zinc/59/92/60/999599260.db2.gz YAFFXNBHAUQHSE-LRDDRELGSA-N -1 0 339.395 3.827 20 0 EHADRM C[C@@H]1CCc2nc(CN(C)[C@H](C(=O)[O-])c3ccccc3)sc2C1 ZINC001594450304 999647093 /nfs/dbraw/zinc/64/70/93/999647093.db2.gz DMQYUOQEMZOXSU-PXAZEXFGSA-N -1 0 330.453 3.526 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)Oc3ccc(CC(=O)[O-])cc3F)cc2C1 ZINC001594451559 999650592 /nfs/dbraw/zinc/65/05/92/999650592.db2.gz BLSOZJAECKYUPC-SNVBAGLBSA-N -1 0 348.395 3.858 20 0 EHADRM C[C@@H]1CN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC[C@H]1c1ccccc1 ZINC001594462582 999675279 /nfs/dbraw/zinc/67/52/79/999675279.db2.gz LYTKLUQQNLELIO-NVXWUHKLSA-N -1 0 341.451 3.674 20 0 EHADRM CCSCc1ccc(C(=O)N=c2[n-]nc(CC(C)C)s2)cc1 ZINC000340131734 1016384939 /nfs/dbraw/zinc/38/49/39/1016384939.db2.gz QPPPLRKQXCJTQC-UHFFFAOYSA-N -1 0 335.498 3.664 20 0 EHADRM Cc1ccccc1C1(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CCC1 ZINC000655576574 1016393589 /nfs/dbraw/zinc/39/35/89/1016393589.db2.gz QQEQFCQHHTVWLG-BHYGNILZSA-N -1 0 343.467 3.668 20 0 EHADRM O=C(c1ccc2ccccc2c1O)N1CCC[C@H]1[C@H]1CCCCC1=O ZINC000177613821 1016398599 /nfs/dbraw/zinc/39/85/99/1016398599.db2.gz CGXAQTQUKJWDGW-AEFFLSMTSA-N -1 0 337.419 3.909 20 0 EHADRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccc(N2CCCCC2)cc1 ZINC000166090015 1016577666 /nfs/dbraw/zinc/57/76/66/1016577666.db2.gz WADDHGSUQRXEBK-UHFFFAOYSA-N -1 0 341.367 3.543 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2OC(C)C)c(C)s1 ZINC000340236713 1016754739 /nfs/dbraw/zinc/75/47/39/1016754739.db2.gz LOHXNIKQLGTEMD-UHFFFAOYSA-N -1 0 325.455 3.953 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(C2CC2)cc1)c1ccc(F)cc1 ZINC000659117903 1016875986 /nfs/dbraw/zinc/87/59/86/1016875986.db2.gz QDIAXLGYDQHEFM-QGZVFWFLSA-N -1 0 327.355 3.649 20 0 EHADRM C[S@@](=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2[O-])cc1 ZINC000179619657 1016878481 /nfs/dbraw/zinc/87/84/81/1016878481.db2.gz UKJBROWPHGWBRF-OAQYLSRUSA-N -1 0 344.219 3.689 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])[C@H]1CCCN1Cc1ccc(F)cc1 ZINC000340320187 1016937315 /nfs/dbraw/zinc/93/73/15/1016937315.db2.gz HOMJILRTQBPMLK-MRXNPFEDSA-N -1 0 348.805 3.788 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N(C)[C@H](C)C2CCC2)s1 ZINC000471303131 1016971473 /nfs/dbraw/zinc/97/14/73/1016971473.db2.gz GIXFFXNQFVYLDH-LLVKDONJSA-N -1 0 348.447 3.727 20 0 EHADRM CN(Cc1c(Cl)cccc1Cl)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000659755022 1016979299 /nfs/dbraw/zinc/97/92/99/1016979299.db2.gz UTSQJAJCUNUTFP-UHFFFAOYSA-N -1 0 344.238 3.843 20 0 EHADRM Cc1ccc(C)c([C@@H](C)N(C)C(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000414604415 1016997203 /nfs/dbraw/zinc/99/72/03/1016997203.db2.gz AROIECDHNMXOFN-OAHLLOKOSA-N -1 0 340.423 3.904 20 0 EHADRM CCN(C(=O)c1oc2c(ccc3ccccc23)c1C)[C@H](C)C(=O)[O-] ZINC000659774209 1017009424 /nfs/dbraw/zinc/00/94/24/1017009424.db2.gz GIHSCWSRXSROHT-GFCCVEGCSA-N -1 0 325.364 3.830 20 0 EHADRM Cc1ccc(-c2csc(CN([C@@H](C)C(=O)[O-])C3CCC3)n2)cc1 ZINC000659795141 1017032752 /nfs/dbraw/zinc/03/27/52/1017032752.db2.gz NGZCWGUPRXWCCI-ZDUSSCGKSA-N -1 0 330.453 3.946 20 0 EHADRM Cc1sc(C(=O)N(CC(=O)[O-])C2CCC2)cc1-c1ccc(F)cc1 ZINC000655590099 1017061555 /nfs/dbraw/zinc/06/15/55/1017061555.db2.gz BHJMMRDBAHKOSJ-UHFFFAOYSA-N -1 0 347.411 3.942 20 0 EHADRM C[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1ccc(F)cc1F ZINC000183313640 1032189588 /nfs/dbraw/zinc/18/95/88/1032189588.db2.gz YAMIXPAEMBTHHF-LURJTMIESA-N -1 0 331.240 3.579 20 0 EHADRM COc1ccccc1-c1cccc(NC(=O)c2cc(C(=O)[O-])co2)c1 ZINC000183758098 1032203806 /nfs/dbraw/zinc/20/38/06/1032203806.db2.gz YIEHRTREZSTIBE-UHFFFAOYSA-N -1 0 337.331 3.906 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)NCCCCCC(=O)[O-] ZINC000414627261 1017078781 /nfs/dbraw/zinc/07/87/81/1017078781.db2.gz MQNRXHJCCGFNGA-WBVHZDCISA-N -1 0 332.444 3.609 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)c3cc(F)c([O-])c(Cl)c3)c2)n[nH]1 ZINC000184291879 1032279861 /nfs/dbraw/zinc/27/98/61/1032279861.db2.gz MQDBXMJAGOAOKQ-UHFFFAOYSA-N -1 0 346.749 3.531 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1cnc(Br)c(Cl)n1 ZINC001211616497 1032282545 /nfs/dbraw/zinc/28/25/45/1032282545.db2.gz LKESUJCHSPFHBA-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM COC(=O)c1cc(C)ccc1NC(=O)CC1(CC(=O)[O-])CCCCC1 ZINC000392263313 1032301969 /nfs/dbraw/zinc/30/19/69/1032301969.db2.gz SOBNTAJWDNUGOX-UHFFFAOYSA-N -1 0 347.411 3.535 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ncc(Cl)cc2C)c1 ZINC000461222501 1032341042 /nfs/dbraw/zinc/34/10/42/1032341042.db2.gz AKDMSBYNMLOYDP-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)N[C@H]1CCc2cccc3cccc1c32 ZINC000905126565 1032355996 /nfs/dbraw/zinc/35/59/96/1032355996.db2.gz RFMLMFFCQSVKBW-JZXOWHBKSA-N -1 0 335.403 3.610 20 0 EHADRM CCCc1cnc([N-]S(=O)(=O)c2ccc(OCC)cc2C)s1 ZINC000538453509 1032380094 /nfs/dbraw/zinc/38/00/94/1032380094.db2.gz SHUMDIUSRIPNEB-UHFFFAOYSA-N -1 0 340.470 3.604 20 0 EHADRM Cc1ccc(S[C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000538503879 1032404212 /nfs/dbraw/zinc/40/42/12/1032404212.db2.gz QLHWDLAWJGAJRP-LLVKDONJSA-N -1 0 333.384 3.952 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)C[C@]1(C(=O)[O-])CCSC1 ZINC000147042286 1032417099 /nfs/dbraw/zinc/41/70/99/1032417099.db2.gz YLPOVWGBZPHYFN-CQSZACIVSA-N -1 0 345.873 3.598 20 0 EHADRM C[C@H](C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000263056130 1032422995 /nfs/dbraw/zinc/42/29/95/1032422995.db2.gz AKQLRSVNFHIDEB-JFGNBEQYSA-N -1 0 344.238 3.809 20 0 EHADRM CCOCc1ccc([N-]S(=O)(=O)c2cc(C)c(F)cc2F)cc1 ZINC000084650215 1032447354 /nfs/dbraw/zinc/44/73/54/1032447354.db2.gz OLJXZAVWCPVTLH-UHFFFAOYSA-N -1 0 341.379 3.611 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)N1CC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000414628893 1017081972 /nfs/dbraw/zinc/08/19/72/1017081972.db2.gz NHJXNYSBBJJNEK-CORIIIEPSA-N -1 0 338.835 3.543 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)N[C@@H]1CC(C)(C)CCc2ccccc21 ZINC000414635874 1017086194 /nfs/dbraw/zinc/08/61/94/1017086194.db2.gz CNZQRWGKODEUFR-MRXNPFEDSA-N -1 0 332.444 3.596 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000547853033 1017087003 /nfs/dbraw/zinc/08/70/03/1017087003.db2.gz WNXLPJRNEVZORX-UHFFFAOYSA-N -1 0 343.398 3.722 20 0 EHADRM C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CCOc1cccc(C(=O)[O-])c1 ZINC000584416177 1032480493 /nfs/dbraw/zinc/48/04/93/1032480493.db2.gz QAHRVMIZBDVOSW-GFCCVEGCSA-N -1 0 335.350 3.735 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1ccc(OCC(F)(F)F)nc1 ZINC001211618850 1032485515 /nfs/dbraw/zinc/48/55/15/1032485515.db2.gz UVAGWNYQNPEXTG-UHFFFAOYSA-N -1 0 326.274 3.773 20 0 EHADRM Cc1csc(-c2cccc(NC(=O)N([C@@H](C)C(=O)[O-])C3CC3)c2)n1 ZINC000579911989 1017099665 /nfs/dbraw/zinc/09/96/65/1017099665.db2.gz PTYICQRKZADJQD-NSHDSACASA-N -1 0 345.424 3.588 20 0 EHADRM O=C([O-])CCCCCNC(=O)N(CCc1ccccc1)C1CCCC1 ZINC000414632031 1017094228 /nfs/dbraw/zinc/09/42/28/1017094228.db2.gz XDCJYKMZYNMRQL-UHFFFAOYSA-N -1 0 346.471 3.828 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1cccc(OC2CCCC2)c1 ZINC000601988750 1032582960 /nfs/dbraw/zinc/58/29/60/1032582960.db2.gz VJBYMOZTFAFMQO-NEPJUHHUSA-N -1 0 337.441 3.541 20 0 EHADRM CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@@H](C)S[C@H](C)C(=O)[O-] ZINC000601994104 1032587143 /nfs/dbraw/zinc/58/71/43/1032587143.db2.gz LSCBAIBCOXBCIJ-VXGBXAGGSA-N -1 0 343.876 3.672 20 0 EHADRM CSc1cc(NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-])ccc1Cl ZINC000601999202 1032589398 /nfs/dbraw/zinc/58/93/98/1032589398.db2.gz MEXAQOIJENAFHW-HTQZYQBOSA-N -1 0 333.862 3.595 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CC(C2CCOCC2)C1 ZINC000669735033 1032599973 /nfs/dbraw/zinc/59/99/73/1032599973.db2.gz CEOZFABUTUZATC-UHFFFAOYSA-N -1 0 345.826 3.697 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)sc1C ZINC000091014182 1032615730 /nfs/dbraw/zinc/61/57/30/1032615730.db2.gz CAYHGTVYESKVDL-UHFFFAOYSA-N -1 0 333.381 3.767 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N(C)[C@H]2CC[C@@H](C)C2)s1 ZINC000471340771 1017126596 /nfs/dbraw/zinc/12/65/96/1017126596.db2.gz NYSMBHYCZMWTEF-MFKMUULPSA-N -1 0 348.447 3.727 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000471393344 1017341285 /nfs/dbraw/zinc/34/12/85/1017341285.db2.gz RWDYILQULLJGHO-HNNXBMFYSA-N -1 0 345.468 3.693 20 0 EHADRM FC(F)(F)Cc1n[n-]c(=NCc2cccc(C(F)(F)F)c2)s1 ZINC000537398448 1032696125 /nfs/dbraw/zinc/69/61/25/1032696125.db2.gz KRKINPOYJQXFQA-UHFFFAOYSA-N -1 0 341.280 3.696 20 0 EHADRM Cc1cc(F)cc2[nH]c(C(=O)N[C@@H](CC(=O)[O-])C3CCCCC3)cc21 ZINC000537400820 1032702315 /nfs/dbraw/zinc/70/23/15/1032702315.db2.gz HGYMQKKNJPNQLI-HNNXBMFYSA-N -1 0 346.402 3.769 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(Oc3ccccc3)c2)nc1 ZINC000238055911 1017498338 /nfs/dbraw/zinc/49/83/38/1017498338.db2.gz LPQRAMXGWLXVGU-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM CCS(=O)(=O)c1ccc(OC)c(Nc2cccc(Cl)c2O)c1 ZINC001210222088 1017599990 /nfs/dbraw/zinc/59/99/90/1017599990.db2.gz NGDBUWXITHEXAM-UHFFFAOYSA-N -1 0 341.816 3.591 20 0 EHADRM CC1(CC(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)CCCCC1 ZINC000579952909 1017725783 /nfs/dbraw/zinc/72/57/83/1017725783.db2.gz UZGHPEKQTULCNS-SJORKVTESA-N -1 0 329.440 3.674 20 0 EHADRM C[C@@H](CNC(=O)N([C@@H](C)c1ccc2ccccc2c1)C1CC1)C(=O)[O-] ZINC000655886066 1017855768 /nfs/dbraw/zinc/85/57/68/1017855768.db2.gz VRXBFNJYWACVRW-KBPBESRZSA-N -1 0 340.423 3.796 20 0 EHADRM CCN(C(=O)NC[C@@H](C)C(=O)[O-])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000655885756 1017856954 /nfs/dbraw/zinc/85/69/54/1017856954.db2.gz TUUOQZARHVVCMT-GHMZBOCLSA-N -1 0 346.349 3.519 20 0 EHADRM CC(C)C[C@H]1CCCCN1C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655902125 1017881726 /nfs/dbraw/zinc/88/17/26/1017881726.db2.gz NLTZYFDXOXAXAI-XUWVNRHRSA-N -1 0 338.492 3.732 20 0 EHADRM CCc1ccc(CN(C)C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655908218 1017904638 /nfs/dbraw/zinc/90/46/38/1017904638.db2.gz OSQQSXMAKJULOX-XOKHGSTOSA-N -1 0 346.471 3.526 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@H](CC(=O)[O-])C1)c1cc2cccc(F)c2o1 ZINC000574138341 1032729934 /nfs/dbraw/zinc/72/99/34/1032729934.db2.gz DDYUCUKQNOACNJ-NWDGAFQWSA-N -1 0 348.374 3.529 20 0 EHADRM CC(C)(NC(=O)c1s[n-]c(=O)c1Cl)c1cccc(Cl)c1 ZINC000579979805 1017951692 /nfs/dbraw/zinc/95/16/92/1017951692.db2.gz WERWDEPBXCZTTF-UHFFFAOYSA-N -1 0 331.224 3.821 20 0 EHADRM Cc1cc(=NC(=O)c2ccc(O[C@H](C)c3ccccc3)cc2)[n-]nc1C ZINC000472809576 1018039319 /nfs/dbraw/zinc/03/93/19/1018039319.db2.gz OOLIPGLQNYBOIH-MRXNPFEDSA-N -1 0 347.418 3.908 20 0 EHADRM Cc1cc(Nc2ncc(F)cc2Br)ccc1C(=O)[O-] ZINC001211650353 1018139140 /nfs/dbraw/zinc/13/91/40/1018139140.db2.gz ZTWVBQVJTXRCDT-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM COc1cc(C)cc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)c1C ZINC000683728988 1018223243 /nfs/dbraw/zinc/22/32/43/1018223243.db2.gz QUNATUAQXSYGRK-OAHLLOKOSA-N -1 0 327.380 3.509 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)COc1ccc(F)c(Cl)c1 ZINC000013318162 1018308841 /nfs/dbraw/zinc/30/88/41/1018308841.db2.gz KOMNLCSSSUDDMK-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM C[C@@H](Nc1cncc(-c2cccs2)n1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656091488 1018520785 /nfs/dbraw/zinc/52/07/85/1018520785.db2.gz DXOVQUFUQTXYAF-GRYCIOLGSA-N -1 0 331.441 3.752 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C(F)F)s1 ZINC000340580877 1018576255 /nfs/dbraw/zinc/57/62/55/1018576255.db2.gz ZDZWVLWOZRWSOG-UHFFFAOYSA-N -1 0 349.428 3.647 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c(O)c1 ZINC000129513804 1018647920 /nfs/dbraw/zinc/64/79/20/1018647920.db2.gz TYOZJQGRTLWGNO-UHFFFAOYSA-N -1 0 348.207 3.508 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)CC1 ZINC000253555143 1018733449 /nfs/dbraw/zinc/73/34/49/1018733449.db2.gz KXSGDOOKGRDPSL-JOCQHMNTSA-N -1 0 347.484 3.818 20 0 EHADRM Cc1nc(C)c(CCNC(=O)c2cc(O)c3ccccc3c2)s1 ZINC000349739038 1018791658 /nfs/dbraw/zinc/79/16/58/1018791658.db2.gz AADBYFBZOMLGTE-UHFFFAOYSA-N -1 0 326.421 3.591 20 0 EHADRM O=c1nc(CS[C@@H]2CCOC2)[nH]c2scc(-c3ccco3)c21 ZINC000419365004 1018897342 /nfs/dbraw/zinc/89/73/42/1018897342.db2.gz XGPAWNBYNPHGTB-SECBINFHSA-N -1 0 334.422 3.679 20 0 EHADRM O=C([O-])CN(C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1)C1CC1 ZINC000404252799 1018933577 /nfs/dbraw/zinc/93/35/77/1018933577.db2.gz MYZVGEPTPZKIHH-UHFFFAOYSA-N -1 0 337.590 3.728 20 0 EHADRM CC(C)c1ccc([C@H](CC(=O)[O-])NC(=O)N(C)CC(F)(F)F)cc1 ZINC000576412096 1018968346 /nfs/dbraw/zinc/96/83/46/1018968346.db2.gz PAGUDOVAQMBXAN-ZDUSSCGKSA-N -1 0 346.349 3.530 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2cc(OC)ccc2OC(C)C)c1 ZINC000433488965 1019014451 /nfs/dbraw/zinc/01/44/51/1019014451.db2.gz BSCUGPNXWCBPHE-UHFFFAOYSA-N -1 0 349.452 3.846 20 0 EHADRM [O-]c1c(Cl)nccc1-c1nc(-c2cc(C(F)(F)F)ccn2)no1 ZINC001214065910 1019151440 /nfs/dbraw/zinc/15/14/40/1019151440.db2.gz NUGYLIKBGXKUJK-UHFFFAOYSA-N -1 0 342.664 3.571 20 0 EHADRM Cc1nc(Nc2ccccc2C(=O)[O-])nc(Cl)c1Br ZINC001210970463 1019151671 /nfs/dbraw/zinc/15/16/71/1019151671.db2.gz YTUWKYRDADNELH-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM Cc1ccc(NCc2cc(Cl)c3c(c2)OCCO3)cc1C(=O)[O-] ZINC000340674147 1019153387 /nfs/dbraw/zinc/15/33/87/1019153387.db2.gz FIWFIBTUBWIBOB-UHFFFAOYSA-N -1 0 333.771 3.730 20 0 EHADRM COCCOc1ccccc1CNc1cc(C(=O)[O-])c(C)cc1C ZINC000340675846 1019166312 /nfs/dbraw/zinc/16/63/12/1019166312.db2.gz HZZMNIWZPVSJHR-UHFFFAOYSA-N -1 0 329.396 3.639 20 0 EHADRM CC[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1C)c1ccccc1 ZINC000729066057 1019172628 /nfs/dbraw/zinc/17/26/28/1019172628.db2.gz MEMOUZSENBMATR-INIZCTEOSA-N -1 0 345.464 3.692 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)C2CCCCCC2)c1C ZINC000726319025 1019191113 /nfs/dbraw/zinc/19/11/13/1019191113.db2.gz WQVAFIGFRONCLO-UHFFFAOYSA-N -1 0 337.485 3.696 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCC[N@@H+]1Cc1cc(Cl)ccc1Br ZINC000263009840 1019270545 /nfs/dbraw/zinc/27/05/45/1019270545.db2.gz BOJNEVIYEMWOSR-BXKDBHETSA-N -1 0 346.652 3.788 20 0 EHADRM O=C([O-])c1sccc1C[NH+]1CCC(Oc2ccccc2F)CC1 ZINC000634696197 1019277756 /nfs/dbraw/zinc/27/77/56/1019277756.db2.gz NIAUKWSWFZNWNW-UHFFFAOYSA-N -1 0 335.400 3.629 20 0 EHADRM O=[P@@]([O-])(O)C1(Nc2ccccc2C2CC2)Cc2ccccc2C1 ZINC001167939024 1019286874 /nfs/dbraw/zinc/28/68/74/1019286874.db2.gz NAEYFZJQFGHSJK-UHFFFAOYSA-N -1 0 329.336 3.649 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)CCCOc1ccc(Cl)c(C)c1 ZINC000237091653 1019311175 /nfs/dbraw/zinc/31/11/75/1019311175.db2.gz RIDMESQAMSDPNC-QGZVFWFLSA-N -1 0 341.835 3.567 20 0 EHADRM CCCOCCOc1cccc(-c2ccc(OC)c(CC(=O)[O-])c2)c1 ZINC000515671622 1032825166 /nfs/dbraw/zinc/82/51/66/1032825166.db2.gz PUKWTUABMNXCLF-UHFFFAOYSA-N -1 0 344.407 3.795 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000263061314 1019436008 /nfs/dbraw/zinc/43/60/08/1019436008.db2.gz FOZHPZUWMTXLFE-RKDXNWHRSA-N -1 0 331.199 3.568 20 0 EHADRM CC(C)CN=c1[n-]nc(SCCC(=O)c2ccc(F)cc2)s1 ZINC000513258148 1019485366 /nfs/dbraw/zinc/48/53/66/1019485366.db2.gz VCSRMICHBWTZKZ-UHFFFAOYSA-N -1 0 339.461 3.532 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N(CC(=O)[O-])Cc2ccccc2)cc1 ZINC000580539444 1019587717 /nfs/dbraw/zinc/58/77/17/1019587717.db2.gz TWFQMTRHFRKXLJ-UHFFFAOYSA-N -1 0 342.395 3.593 20 0 EHADRM CCOc1ccc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1OC ZINC000262495679 1019646016 /nfs/dbraw/zinc/64/60/16/1019646016.db2.gz JYOKZDWJOLPJAO-UHFFFAOYSA-N -1 0 343.379 3.661 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2cc(F)c(NC(C)(C)C)cc2C(=O)[O-])C1 ZINC000580572715 1019656979 /nfs/dbraw/zinc/65/69/79/1019656979.db2.gz DBIOZPPVRFFVBQ-JTQLQIEISA-N -1 0 337.395 3.608 20 0 EHADRM CC(C)(C)c1cc(CN2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])no1 ZINC000580572350 1019657979 /nfs/dbraw/zinc/65/79/79/1019657979.db2.gz TXFSLYBSSAGRIA-GOEBONIOSA-N -1 0 334.460 3.828 20 0 EHADRM O=S(=O)([N-]c1cc(F)ccc1O)c1ccccc1-c1ccccc1 ZINC000433841143 1019699163 /nfs/dbraw/zinc/69/91/63/1019699163.db2.gz JJPHCUNBGYXEQZ-UHFFFAOYSA-N -1 0 343.379 3.999 20 0 EHADRM CC(C)CCOc1ccccc1CNC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262734293 1019717368 /nfs/dbraw/zinc/71/73/68/1019717368.db2.gz VEKZHTDDJJXPCR-WKILWMFISA-N -1 0 347.455 3.619 20 0 EHADRM Cc1noc(C(C)C)c1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000262733674 1019718845 /nfs/dbraw/zinc/71/88/45/1019718845.db2.gz HNSBPPFIYVBQTN-NSHDSACASA-N -1 0 330.384 3.622 20 0 EHADRM CC(C)(CCNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000262878902 1019754122 /nfs/dbraw/zinc/75/41/22/1019754122.db2.gz CALNYJRPALFULE-MNOVXSKESA-N -1 0 344.238 3.714 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000263055577 1019802687 /nfs/dbraw/zinc/80/26/87/1019802687.db2.gz WUGZCAFRTINDDL-NWDGAFQWSA-N -1 0 331.393 3.506 20 0 EHADRM Cc1oc(-c2ccccc2)c(C(=O)N2CCC[C@H]2CC(=O)[O-])c1C ZINC000263068040 1019804690 /nfs/dbraw/zinc/80/46/90/1019804690.db2.gz XXYJGUUIRPUGDY-HNNXBMFYSA-N -1 0 327.380 3.643 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000263156863 1019831525 /nfs/dbraw/zinc/83/15/25/1019831525.db2.gz ZLVWYFKXYOLOLR-HIFRSBDPSA-N -1 0 343.448 3.906 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2nc(C3CCC3)cs2)s1 ZINC000580693899 1019860668 /nfs/dbraw/zinc/86/06/68/1019860668.db2.gz FJPDOZUAQMAMCT-UHFFFAOYSA-N -1 0 328.484 3.835 20 0 EHADRM O=C([O-])c1ccc(CC(=O)Nc2ccccc2OC2CCCC2)cc1 ZINC000263363089 1019886124 /nfs/dbraw/zinc/88/61/24/1019886124.db2.gz VBRYQBDQEOMFFS-UHFFFAOYSA-N -1 0 339.391 3.887 20 0 EHADRM Cc1ccc(SC2CCCC2)c(C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])c1 ZINC000263403173 1019896624 /nfs/dbraw/zinc/89/66/24/1019896624.db2.gz FPKTWNRIFNTUDC-OLZOCXBDSA-N -1 0 335.469 3.869 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000263419021 1019901397 /nfs/dbraw/zinc/90/13/97/1019901397.db2.gz IJQSSTLIKSFXOY-JKIFEVAISA-N -1 0 343.448 3.745 20 0 EHADRM Cc1cc(C(=O)N[C@H](C)[C@H](C)C(=O)[O-])c(C)n1[C@@H](C)c1ccccc1 ZINC000263439075 1019905339 /nfs/dbraw/zinc/90/53/39/1019905339.db2.gz MADHTMOXNPTGGT-ZNMIVQPWSA-N -1 0 342.439 3.553 20 0 EHADRM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc(C)s3)cc2)n[nH]1 ZINC000345209176 1020062313 /nfs/dbraw/zinc/06/23/13/1020062313.db2.gz CTSFCSCYFMDYCK-UHFFFAOYSA-N -1 0 349.437 3.681 20 0 EHADRM O=C(N[C@H]1CCCOc2ccccc21)c1ccc2[n-]c(=S)oc2c1 ZINC000172732869 1032876376 /nfs/dbraw/zinc/87/63/76/1032876376.db2.gz LQKLJVNKQLEELX-ZDUSSCGKSA-N -1 0 340.404 3.760 20 0 EHADRM O=C([N-]OCc1cccnc1)C1(Sc2ccccc2)CCCC1 ZINC000155891145 1020165720 /nfs/dbraw/zinc/16/57/20/1020165720.db2.gz QEQWBLBEYAWXDE-UHFFFAOYSA-N -1 0 328.437 3.735 20 0 EHADRM Cc1nc2ccccc2n1CCC(=O)Nc1cc(Cl)c([O-])cc1F ZINC000345596251 1020391939 /nfs/dbraw/zinc/39/19/39/1020391939.db2.gz XFDQVKPTZNYNME-UHFFFAOYSA-N -1 0 347.777 3.872 20 0 EHADRM CC(C)c1ccccc1S(=O)(=O)[N-]c1ncccc1OC(F)F ZINC000345670788 1020420156 /nfs/dbraw/zinc/42/01/56/1020420156.db2.gz AYOGOUMZWDLDJR-UHFFFAOYSA-N -1 0 342.367 3.607 20 0 EHADRM CC(C)c1ccccc1S(=O)(=O)[N-]c1nccc(-c2ccco2)n1 ZINC000345671421 1020421146 /nfs/dbraw/zinc/42/11/46/1020421146.db2.gz CRIYZFMITRQWLT-UHFFFAOYSA-N -1 0 343.408 3.661 20 0 EHADRM CC(C)CCC(=O)N[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000345798816 1020513068 /nfs/dbraw/zinc/51/30/68/1020513068.db2.gz ILJHBSGTJYRSLQ-ZDUSSCGKSA-N -1 0 332.227 3.542 20 0 EHADRM Cc1cc(-c2ccccc2OCCC(=O)[O-])ccc1O[C@@H]1CCOC1 ZINC000581202509 1020514474 /nfs/dbraw/zinc/51/44/74/1020514474.db2.gz OGVLIZPCMQNKKL-MRXNPFEDSA-N -1 0 342.391 3.683 20 0 EHADRM Cn1ccc2cccc([N-]S(=O)(=O)c3ccc(C(F)F)cc3)c21 ZINC000340955253 1020676447 /nfs/dbraw/zinc/67/64/47/1020676447.db2.gz DLPXSAIURQYMOW-UHFFFAOYSA-N -1 0 336.363 3.917 20 0 EHADRM O=S(=O)([N-]c1ccc2ccoc2c1)c1cccnc1C(F)(F)F ZINC000340962198 1020689852 /nfs/dbraw/zinc/68/98/52/1020689852.db2.gz IWWUJPQNYGLNRX-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)NCC[C@]1(C)CC1(F)F)C1CCCCC1 ZINC000656485646 1020711349 /nfs/dbraw/zinc/71/13/49/1020711349.db2.gz HCFISKIKDNBEFX-CVEARBPZSA-N -1 0 331.403 3.599 20 0 EHADRM CC[C@@H](NC(=O)Cc1nc(=O)c2sc(C)cc2[n-]1)c1ccccc1 ZINC000656490385 1020712659 /nfs/dbraw/zinc/71/26/59/1020712659.db2.gz BRPIXHVDNOQAJV-CYBMUJFWSA-N -1 0 341.436 3.515 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)Nc1ccc(Cl)c(Cl)c1)C1CCC1 ZINC000581347613 1020722658 /nfs/dbraw/zinc/72/26/58/1020722658.db2.gz XPLFDKDLSQCMQH-MRVPVSSYSA-N -1 0 331.199 3.853 20 0 EHADRM C[C@H](NC(=O)C[C@@H]1CCCC[C@@H]1C)c1ccc(OCC(=O)[O-])cc1 ZINC000581413099 1020850043 /nfs/dbraw/zinc/85/00/43/1020850043.db2.gz XGUSEJFYVQIXHV-DZKIICNBSA-N -1 0 333.428 3.544 20 0 EHADRM COc1cccc(-c2nsc([N-]C(=O)c3cc(C(C)C)no3)n2)c1 ZINC000070847332 1020854073 /nfs/dbraw/zinc/85/40/73/1020854073.db2.gz ZSBFEOCMBVVPLE-UHFFFAOYSA-N -1 0 344.396 3.577 20 0 EHADRM C[C@@H](CN(C)C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000070915548 1020858395 /nfs/dbraw/zinc/85/83/95/1020858395.db2.gz MFUQQBWVAGQSFP-ZDUSSCGKSA-N -1 0 339.391 3.588 20 0 EHADRM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)/C=C\c1ccccc1)c1ccccc1 ZINC000255315763 1021016599 /nfs/dbraw/zinc/01/65/99/1021016599.db2.gz RWAYKNUBZOJQDR-SWNWVQGVSA-N -1 0 343.448 3.543 20 0 EHADRM CCc1noc(C)c1[N-]S(=O)(=O)c1cccc(O[C@@H](C)CC)c1 ZINC000656625687 1021060708 /nfs/dbraw/zinc/06/07/08/1021060708.db2.gz HIHFGEBQGLRNHV-NSHDSACASA-N -1 0 338.429 3.524 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)c1cc2c(s1)-c1ccccc1OC2 ZINC000341199324 1021084517 /nfs/dbraw/zinc/08/45/17/1021084517.db2.gz UVSYSLCHFHELEQ-UHFFFAOYSA-N -1 0 349.415 3.649 20 0 EHADRM CN(CC(C)(C)C)C(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000436768934 1021217754 /nfs/dbraw/zinc/21/77/54/1021217754.db2.gz JXFSTTKJRQPIGB-UHFFFAOYSA-N -1 0 334.641 3.926 20 0 EHADRM O=C([O-])[C@H]1CC[C@H]1C(=O)Nc1ccccc1Oc1cccc(F)c1 ZINC000507399728 1021240173 /nfs/dbraw/zinc/24/01/73/1021240173.db2.gz FNSHZJFCKMMIQZ-KGLIPLIRSA-N -1 0 329.327 3.667 20 0 EHADRM CCn1ncc(C)c1[N-]S(=O)(=O)c1c(C)sc2c1cccc2C ZINC000656741376 1021241036 /nfs/dbraw/zinc/24/10/36/1021241036.db2.gz MNTZTFNJHRWHBB-UHFFFAOYSA-N -1 0 349.481 3.844 20 0 EHADRM Cn1ncc(NC(=O)c2cc(F)c([O-])c(Cl)c2)c1-c1ccccc1 ZINC000436807012 1021251777 /nfs/dbraw/zinc/25/17/77/1021251777.db2.gz HGFQLSKWKPCBFI-UHFFFAOYSA-N -1 0 345.761 3.838 20 0 EHADRM CCC1CCN(C(=O)c2cc(F)cc(Br)c2[O-])CC1 ZINC000436846606 1021292314 /nfs/dbraw/zinc/29/23/14/1021292314.db2.gz IAPCCGSOEBIMRS-UHFFFAOYSA-N -1 0 330.197 3.556 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCn2c(cc3c2cccc3Cl)C1 ZINC000436814704 1021260323 /nfs/dbraw/zinc/26/03/23/1021260323.db2.gz ISUSJROSTZAXNG-UHFFFAOYSA-N -1 0 344.773 3.795 20 0 EHADRM C[C@H](c1ccc(F)cc1F)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC000656756675 1021276880 /nfs/dbraw/zinc/27/68/80/1021276880.db2.gz FDVQFEAXBLTSQN-BBBLOLIVSA-N -1 0 337.288 3.611 20 0 EHADRM COc1ccncc1CNC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436842808 1021287184 /nfs/dbraw/zinc/28/71/84/1021287184.db2.gz YRHQTLLAGMLDDF-UHFFFAOYSA-N -1 0 342.782 3.532 20 0 EHADRM Cc1ccc(OC2CCN(Cc3nc(C(=O)[O-])cs3)CC2)cc1C ZINC000518546941 1021292122 /nfs/dbraw/zinc/29/21/22/1021292122.db2.gz ROCUEJOAVVLRAQ-UHFFFAOYSA-N -1 0 346.452 3.502 20 0 EHADRM C[C@@H]1CCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C[C@H](C)O1 ZINC000656765423 1021296980 /nfs/dbraw/zinc/29/69/80/1021296980.db2.gz LUNUQQVLJDRGFD-BFVZDQMLSA-N -1 0 332.227 3.618 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)Nc2cccc(-c3ncco3)c2C)c1 ZINC000427306804 1021300951 /nfs/dbraw/zinc/30/09/51/1021300951.db2.gz DXNCYQHLIUFPPE-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM O=C([O-])c1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c1Cl ZINC000656768629 1021301389 /nfs/dbraw/zinc/30/13/89/1021301389.db2.gz LTKYXXPKILTCPY-XJKSGUPXSA-N -1 0 337.847 3.819 20 0 EHADRM Cn1cc(-c2noc(-c3cc(Cl)c4ccccc4c3[O-])n2)cn1 ZINC000436895280 1021323687 /nfs/dbraw/zinc/32/36/87/1021323687.db2.gz WJZLTJDEJFUIPA-UHFFFAOYSA-N -1 0 326.743 3.649 20 0 EHADRM O=C(c1cccc(Br)c1[O-])N1CC[C@H]1c1ccccc1 ZINC000518575938 1021333007 /nfs/dbraw/zinc/33/30/07/1021333007.db2.gz ZTFCIMDXIUIJNC-AWEZNQCLSA-N -1 0 332.197 3.742 20 0 EHADRM O=C(Nc1ccc(N2CCCCC2)nc1)c1cc(F)c([O-])c(Cl)c1 ZINC000436883293 1021333479 /nfs/dbraw/zinc/33/34/79/1021333479.db2.gz CZAYTHHGNHEHKU-UHFFFAOYSA-N -1 0 349.793 3.822 20 0 EHADRM O=C(NCc1nccc2ccccc21)c1cc(F)c([O-])c(Cl)c1 ZINC000436885023 1021336224 /nfs/dbraw/zinc/33/62/24/1021336224.db2.gz MKJCUTPKFHHGNS-UHFFFAOYSA-N -1 0 330.746 3.663 20 0 EHADRM CCCOc1cccc(CCNC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000436904888 1021349053 /nfs/dbraw/zinc/34/90/53/1021349053.db2.gz QXQUMGMPKXSYPA-UHFFFAOYSA-N -1 0 333.815 3.807 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2sccc2OC)cc1Cl ZINC000507563666 1021363742 /nfs/dbraw/zinc/36/37/42/1021363742.db2.gz IGSGJNCKBKRYKW-UHFFFAOYSA-N -1 0 331.846 3.773 20 0 EHADRM [O-]c1cc(Cl)ccc1-c1nc(-c2ccccc2-n2cccn2)no1 ZINC000436916294 1021371277 /nfs/dbraw/zinc/37/12/77/1021371277.db2.gz VSPZRSOKVHZKPW-UHFFFAOYSA-N -1 0 338.754 3.948 20 0 EHADRM C[C@@H](NC(=O)c1ccc(F)cc1[O-])c1ccccc1OC(F)F ZINC000436926123 1021383716 /nfs/dbraw/zinc/38/37/16/1021383716.db2.gz KHILYBSGCYSLQP-SECBINFHSA-N -1 0 325.286 3.624 20 0 EHADRM C[C@H](c1ccccc1)[C@H](C)NC(=O)c1ccccc1CCC(=O)[O-] ZINC000909409947 1021397780 /nfs/dbraw/zinc/39/77/80/1021397780.db2.gz CCUOFLGEMULQCI-GJZGRUSLSA-N -1 0 325.408 3.626 20 0 EHADRM O=C(N[C@H]1COc2cccc(Cl)c21)c1cc(F)c([O-])c(Cl)c1 ZINC000436937336 1021398424 /nfs/dbraw/zinc/39/84/24/1021398424.db2.gz HTQFXTKMUSLLNF-NSHDSACASA-N -1 0 342.153 3.702 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000436942157 1021404348 /nfs/dbraw/zinc/40/43/48/1021404348.db2.gz AXFDAEAQGSHXTA-UHFFFAOYSA-N -1 0 331.362 3.765 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2scnc2C2CCCC2)c1 ZINC000436950917 1021416708 /nfs/dbraw/zinc/41/67/08/1021416708.db2.gz QJNKRRLCOMCOGY-UHFFFAOYSA-N -1 0 330.409 3.961 20 0 EHADRM CO[C@H](c1noc(-c2cc(Cl)ccc2[O-])n1)c1ccc(F)cc1 ZINC000436953468 1021419497 /nfs/dbraw/zinc/41/94/97/1021419497.db2.gz PRZNCKVBJUVKKW-AWEZNQCLSA-N -1 0 334.734 3.971 20 0 EHADRM CC(C)Oc1c(F)cc(NC(=O)c2c([O-])cccc2F)cc1F ZINC000436976685 1021432310 /nfs/dbraw/zinc/43/23/10/1021432310.db2.gz AKNPTXNKPILADC-UHFFFAOYSA-N -1 0 325.286 3.849 20 0 EHADRM CCCOc1ccc(CNC(=O)c2cc(F)c([O-])c(F)c2)c(C)c1 ZINC000436988191 1021442158 /nfs/dbraw/zinc/44/21/58/1021442158.db2.gz WLDVWKDTYUYLLG-UHFFFAOYSA-N -1 0 335.350 3.698 20 0 EHADRM COc1cc(/C=C(/CC(=O)[O-])c2nc3ccccc3o2)ccc1O ZINC000436991198 1021446739 /nfs/dbraw/zinc/44/67/39/1021446739.db2.gz UNJJHPOZVWKSOT-WQLSENKSSA-N -1 0 325.320 3.557 20 0 EHADRM CC1(CNC(=O)c2cc(F)c([O-])c(Cl)c2)Cc2ccccc2C1 ZINC000436994938 1021451433 /nfs/dbraw/zinc/45/14/33/1021451433.db2.gz PFILWLZNFPOSPY-UHFFFAOYSA-N -1 0 333.790 3.720 20 0 EHADRM Cc1cc(NC(=O)Nc2ccc(O)c(Cl)c2)nn1[C@@H](C)C1CC1 ZINC000558953973 1021524407 /nfs/dbraw/zinc/52/44/07/1021524407.db2.gz ZYMSWUIWCBPMFS-JTQLQIEISA-N -1 0 334.807 3.587 20 0 EHADRM CC1(C)CN(C(=O)N=c2ccc(-c3ccccc3)n[n-]2)[C@@H]1c1ccco1 ZINC000639798649 1021571914 /nfs/dbraw/zinc/57/19/14/1021571914.db2.gz JVRWTHXONHCXSN-GOSISDBHSA-N -1 0 348.406 3.774 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)NCc1ccc(C)s1 ZINC000519618673 1021575147 /nfs/dbraw/zinc/57/51/47/1021575147.db2.gz VPCCFRCIYVWLOB-MRXNPFEDSA-N -1 0 346.452 3.804 20 0 EHADRM Clc1ccc2c(c1)CC[C@H]2N=c1nc(C2CCOCC2)[n-]s1 ZINC000624613926 1021604839 /nfs/dbraw/zinc/60/48/39/1021604839.db2.gz GCXYLYJSFBHTJK-CQSZACIVSA-N -1 0 335.860 3.607 20 0 EHADRM O=C([O-])CC1(NC(=O)CC2(CCc3ccccc3)CCCC2)CC1 ZINC000519708606 1021640764 /nfs/dbraw/zinc/64/07/64/1021640764.db2.gz PAGCWLVAHMFKAG-UHFFFAOYSA-N -1 0 329.440 3.693 20 0 EHADRM COc1ccc2c(c1)[C@@H](N=c1nc(C3CCCC3)[n-]s1)CCO2 ZINC000519757353 1021672952 /nfs/dbraw/zinc/67/29/52/1021672952.db2.gz CNLIZVQMROWLHH-AWEZNQCLSA-N -1 0 331.441 3.562 20 0 EHADRM Cc1cc2cc(CNC(=O)CC3(C(=O)[O-])CCCCC3)ccc2[nH]1 ZINC000519780108 1021684880 /nfs/dbraw/zinc/68/48/80/1021684880.db2.gz DWJQMJLVVLWKAG-UHFFFAOYSA-N -1 0 328.412 3.518 20 0 EHADRM CC(C)(C)c1cnc([N-]S(=O)(=O)c2ccc(F)c(F)c2)s1 ZINC000437330883 1021740223 /nfs/dbraw/zinc/74/02/23/1021740223.db2.gz CVIVGHCBODOSOK-UHFFFAOYSA-N -1 0 332.397 3.520 20 0 EHADRM COc1cc(CN=c2nc(C3CC3)[n-]s2)ccc1OC1CCCC1 ZINC000426527513 1021801920 /nfs/dbraw/zinc/80/19/20/1021801920.db2.gz BFYKTAKKQQHWJE-UHFFFAOYSA-N -1 0 345.468 3.780 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1nc(C(C)(C)C)cs1 ZINC000437421263 1021815110 /nfs/dbraw/zinc/81/51/10/1021815110.db2.gz NHYRSNDKTGWCKB-UHFFFAOYSA-N -1 0 328.434 3.689 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000439984872 1021864092 /nfs/dbraw/zinc/86/40/92/1021864092.db2.gz DDISKXSHDXMUCG-CABCVRRESA-N -1 0 335.432 3.678 20 0 EHADRM O=C([O-])c1ccccc1CC[N@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000516932614 1021865982 /nfs/dbraw/zinc/86/59/82/1021865982.db2.gz WFNMMXSUAAUEGI-UHFFFAOYSA-N -1 0 331.362 3.870 20 0 EHADRM CC(C)(C)c1nc2ccc(NC(=O)NCCCCC(=O)[O-])cc2s1 ZINC000669500474 1033014652 /nfs/dbraw/zinc/01/46/52/1033014652.db2.gz YYOWRBSLTOZWJQ-UHFFFAOYSA-N -1 0 349.456 3.970 20 0 EHADRM CCCCc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1 ZINC000325040820 1033016967 /nfs/dbraw/zinc/01/69/67/1033016967.db2.gz MFAFBIPWCGVBKQ-UHFFFAOYSA-N -1 0 327.380 3.745 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CCC[C@@H]1c1cccnc1 ZINC000517038652 1021965800 /nfs/dbraw/zinc/96/58/00/1021965800.db2.gz JAWHOQUZEXOUSA-CQSZACIVSA-N -1 0 336.313 3.783 20 0 EHADRM C[C@@H](N=c1ncnc2[nH][nH]cc1-2)c1ccccc1Oc1ccccc1 ZINC000506769257 1021979564 /nfs/dbraw/zinc/97/95/64/1021979564.db2.gz VXHFFJFJFSKVEI-CYBMUJFWSA-N -1 0 331.379 3.692 20 0 EHADRM O=C([O-])c1ccc2c(c1)nc1n(c2=O)CC/C1=C\C=C\c1ccccc1 ZINC000520175235 1022004412 /nfs/dbraw/zinc/00/44/12/1022004412.db2.gz IWXKTBOFRUWQFK-DUEVJXGLSA-N -1 0 344.370 3.595 20 0 EHADRM CCN(C(=O)N=c1[n-]nc(/C=C/c2ccco2)s1)C1CC(C)(C)C1 ZINC000416960755 1022090040 /nfs/dbraw/zinc/09/00/40/1022090040.db2.gz WIHJYKRWZQKEIA-BQYQJAHWSA-N -1 0 346.456 3.766 20 0 EHADRM C[C@H]1CC[C@](C[NH2+]Cc2csc(-c3ccccn3)n2)(CC(=O)[O-])C1 ZINC000426632132 1022094846 /nfs/dbraw/zinc/09/48/46/1022094846.db2.gz SMKIOFUOTQVLDQ-SCLBCKFNSA-N -1 0 345.468 3.576 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1ccc(-c2cnco2)cc1 ZINC000188383352 1022175012 /nfs/dbraw/zinc/17/50/12/1022175012.db2.gz RJHMYNATEKENNB-UHFFFAOYSA-N -1 0 346.433 3.864 20 0 EHADRM CCOCc1cccc([N-]S(=O)(=O)c2ccccc2SC)c1 ZINC000188413527 1022224682 /nfs/dbraw/zinc/22/46/82/1022224682.db2.gz DAHXEPMOIMHABN-UHFFFAOYSA-N -1 0 337.466 3.746 20 0 EHADRM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc2oc3ccccc3c2c1 ZINC000325062354 1033037760 /nfs/dbraw/zinc/03/77/60/1033037760.db2.gz UGAPEYRVNUJJOG-UHFFFAOYSA-N -1 0 341.392 3.727 20 0 EHADRM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2conc2C)C1 ZINC000519522643 1022240667 /nfs/dbraw/zinc/24/06/67/1022240667.db2.gz CHXYKFGWLQQJRF-JYRVWZFOSA-N -1 0 349.390 3.606 20 0 EHADRM FC(F)(F)[C@H](C[C@@H]1CCCO1)[N-]c1nnc(Cc2ccccc2)o1 ZINC000894435393 1022281892 /nfs/dbraw/zinc/28/18/92/1022281892.db2.gz OGMMPWYANUOUEI-STQMWFEESA-N -1 0 341.333 3.572 20 0 EHADRM CCCCN(C)C(=O)N=c1[n-]nc([C@H](CC)c2ccccc2)s1 ZINC000517379640 1022281884 /nfs/dbraw/zinc/28/18/84/1022281884.db2.gz JDHSMIVEHHFBIC-CQSZACIVSA-N -1 0 332.473 3.766 20 0 EHADRM CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1cc(OC)ccc1OC ZINC000048492955 1022343204 /nfs/dbraw/zinc/34/32/04/1022343204.db2.gz MUBSAIRBCVXUPG-GFCCVEGCSA-N -1 0 343.445 3.565 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)CCSc2ccccc2)cc1 ZINC000319931341 1022384343 /nfs/dbraw/zinc/38/43/43/1022384343.db2.gz APRIAIMTXRMVOB-DHZHZOJOSA-N -1 0 327.405 3.905 20 0 EHADRM CC(C)(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000425948239 1022391332 /nfs/dbraw/zinc/39/13/32/1022391332.db2.gz BJQPUXUZFXKICO-UHFFFAOYSA-N -1 0 335.400 3.855 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)C[C@@H]3CC3(C)C)n2)c1 ZINC001167971307 1022392663 /nfs/dbraw/zinc/39/26/63/1022392663.db2.gz ALILGQUWBWIFLS-HNNXBMFYSA-N -1 0 341.455 3.819 20 0 EHADRM C[C@H](C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-])c1cccc(Cl)c1 ZINC000262034927 1022394907 /nfs/dbraw/zinc/39/49/07/1022394907.db2.gz BRJOMQDJKWCKIX-BBRMVZONSA-N -1 0 345.826 3.503 20 0 EHADRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000048961831 1022421979 /nfs/dbraw/zinc/42/19/79/1022421979.db2.gz RURJPUNCJNUQIP-UHFFFAOYSA-N -1 0 332.208 3.803 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccnn2[C@@H](C)CC(C)C)sc1C ZINC000330664777 1022632366 /nfs/dbraw/zinc/63/23/66/1022632366.db2.gz WEBYRLRXAQQZSZ-LBPRGKRZSA-N -1 0 341.502 3.969 20 0 EHADRM C[C@H](NC(=O)CCc1ccc([C@@H]2C[C@H]2C)o1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655581652 1022665271 /nfs/dbraw/zinc/66/52/71/1022665271.db2.gz AOBIAYJAKSNRIB-XHXGSEDSSA-N -1 0 347.455 3.587 20 0 EHADRM C/C=C/C[C@H](NC(=O)Nc1ccc(C)c(C(F)(F)F)c1)C(=O)[O-] ZINC000517831590 1022729464 /nfs/dbraw/zinc/72/94/64/1022729464.db2.gz YYKYTVLTMLVKFX-PCAWENJQSA-N -1 0 330.306 3.555 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000391781093 1022760337 /nfs/dbraw/zinc/76/03/37/1022760337.db2.gz ONIIUDODDHPPRM-WFASDCNBSA-N -1 0 327.380 3.981 20 0 EHADRM Cc1ccnc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)c1 ZINC000476239501 1033079471 /nfs/dbraw/zinc/07/94/71/1033079471.db2.gz RUJGZLNORYRUNM-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)c(F)c1 ZINC000517924706 1022855909 /nfs/dbraw/zinc/85/59/09/1022855909.db2.gz FHGLCKPZOMCQBM-UHFFFAOYSA-N -1 0 337.416 3.860 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)N([C@@H](C)C2CC2)C2CC2)s[n-]1 ZINC000473821438 1022866014 /nfs/dbraw/zinc/86/60/14/1022866014.db2.gz XUOSRTCKXXTUPY-JTQLQIEISA-N -1 0 348.497 3.792 20 0 EHADRM CCn1c2ccc(C(=O)[O-])cc2nc1C[N@H+]([C@H](C)C1CC1)C1CC1 ZINC000574405555 1033091375 /nfs/dbraw/zinc/09/13/75/1033091375.db2.gz AEUKDRGRPGTEIB-GFCCVEGCSA-N -1 0 327.428 3.517 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)N(C)[C@@H](C)C2CCC2)s[n-]1 ZINC000473831343 1022913042 /nfs/dbraw/zinc/91/30/42/1022913042.db2.gz SNDCVJZTLBVIEL-JTQLQIEISA-N -1 0 336.486 3.649 20 0 EHADRM Cc1ccc(CN(C(=O)Cc2cccc(C(=O)[O-])c2)C2CC2)cc1C ZINC000262097545 1022946823 /nfs/dbraw/zinc/94/68/23/1022946823.db2.gz HBIJOEUGSSGCJC-UHFFFAOYSA-N -1 0 337.419 3.735 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccccc2SCc2occc2C(=O)[O-])C1 ZINC000262097914 1022960480 /nfs/dbraw/zinc/96/04/80/1022960480.db2.gz IRXLXDOPFXFEFU-LBPRGKRZSA-N -1 0 345.420 3.752 20 0 EHADRM C[C@H]1CCc2nc(CN[C@H](CC(=O)[O-])c3ccsc3)sc2C1 ZINC000426684633 1022961227 /nfs/dbraw/zinc/96/12/27/1022961227.db2.gz AIEPSXQYCCCNND-GXFFZTMASA-N -1 0 336.482 3.635 20 0 EHADRM COc1ccc2cc(CNCc3nc(C)c(C(=O)[O-])s3)ccc2c1 ZINC000426679867 1022966672 /nfs/dbraw/zinc/96/66/72/1022966672.db2.gz JQEJMELGXRNVEO-UHFFFAOYSA-N -1 0 342.420 3.601 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1O ZINC000438755654 1022969360 /nfs/dbraw/zinc/96/93/60/1022969360.db2.gz GSSBWUMVXGCEOM-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM O=C([O-])Cc1ccccc1C[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000426690882 1022977500 /nfs/dbraw/zinc/97/75/00/1022977500.db2.gz DEBDIFPIXLECLH-UHFFFAOYSA-N -1 0 344.461 3.789 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(C)c2O)ccc1F ZINC000438768077 1022983411 /nfs/dbraw/zinc/98/34/11/1022983411.db2.gz BGWLRUOYVJEUNG-UHFFFAOYSA-N -1 0 329.780 3.602 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(C)c2O)cc1F ZINC000438768002 1022983621 /nfs/dbraw/zinc/98/36/21/1022983621.db2.gz SPBVCKAPGYTEHF-UHFFFAOYSA-N -1 0 329.780 3.602 20 0 EHADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000438799824 1023004426 /nfs/dbraw/zinc/00/44/26/1023004426.db2.gz BSHVPEUPIJJTTP-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CO[C@H](C)c1nc(=NC[C@@H]2CCCO[C@H]2c2ccc(C)cc2)s[n-]1 ZINC000509550633 1023028562 /nfs/dbraw/zinc/02/85/62/1023028562.db2.gz ZINWOJHJVRJPKT-KBMXLJTQSA-N -1 0 347.484 3.556 20 0 EHADRM CC[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1c(C)noc1C ZINC000189536455 1023050390 /nfs/dbraw/zinc/05/03/90/1023050390.db2.gz SEWGPHBJHWZMOF-LBPRGKRZSA-N -1 0 326.755 3.671 20 0 EHADRM O=S(=O)([N-]c1cc(CCc2ccccc2)ccn1)c1ccccc1 ZINC000426181173 1023056168 /nfs/dbraw/zinc/05/61/68/1023056168.db2.gz XOKRBPAGLYJUBU-UHFFFAOYSA-N -1 0 338.432 3.668 20 0 EHADRM O=C([O-])[C@H](NCc1cnn(-c2ccc(Cl)cc2)c1)c1ccsc1 ZINC000426814723 1023063003 /nfs/dbraw/zinc/06/30/03/1023063003.db2.gz ARZXSRODSPSLPB-OAHLLOKOSA-N -1 0 347.827 3.503 20 0 EHADRM COc1ccccc1[C@@H](NCc1cc2c(ccc(C)c2C)[nH]1)C(=O)[O-] ZINC000426817227 1023063184 /nfs/dbraw/zinc/06/31/84/1023063184.db2.gz ODELUAVPHZJDLG-LJQANCHMSA-N -1 0 338.407 3.709 20 0 EHADRM O=C([O-])[C@@H](NCc1cnc(-c2ccccc2)s1)c1cccc(F)c1 ZINC000426821341 1023067874 /nfs/dbraw/zinc/06/78/74/1023067874.db2.gz RVOGUMOGKRTHDK-INIZCTEOSA-N -1 0 342.395 3.865 20 0 EHADRM Cc1cc(CN[C@@H](C(=O)[O-])c2ccsc2)sc1Br ZINC000426827036 1023071170 /nfs/dbraw/zinc/07/11/70/1023071170.db2.gz GUKNLBRASLTFMX-SNVBAGLBSA-N -1 0 346.271 3.796 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2cc(C)cc3cccnc32)c1 ZINC000507008671 1023074857 /nfs/dbraw/zinc/07/48/57/1023074857.db2.gz QYEZRMOATMJDSU-UHFFFAOYSA-N -1 0 326.421 3.906 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2ccco2)c(C2CC2)cc1Cl ZINC000655602693 1023081717 /nfs/dbraw/zinc/08/17/17/1023081717.db2.gz IQDZZPQLWAQBOB-UHFFFAOYSA-N -1 0 327.789 3.620 20 0 EHADRM CC(C)C[C@@H](C)n1nccc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000426885478 1023101538 /nfs/dbraw/zinc/10/15/38/1023101538.db2.gz BVAGFUPIJLCELB-SECBINFHSA-N -1 0 341.333 3.865 20 0 EHADRM CC(C)Cc1ccc([C@@H](NC(=O)N=c2[n-]ncs2)C(C)C)cc1 ZINC000518179885 1023107705 /nfs/dbraw/zinc/10/77/05/1023107705.db2.gz GHBHNKQYXXJYJA-HNNXBMFYSA-N -1 0 332.473 3.677 20 0 EHADRM Cc1n[nH]c(C)c1[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000341714085 1023120064 /nfs/dbraw/zinc/12/00/64/1023120064.db2.gz PNLLNZKZGLYOMZ-UHFFFAOYSA-N -1 0 339.804 3.535 20 0 EHADRM CC(C)C[C@H](NC(=O)N[C@H](C)c1cccc2ccccc21)C(=O)[O-] ZINC000196021618 1033107094 /nfs/dbraw/zinc/10/70/94/1033107094.db2.gz NVQXBJLZZVSJBP-DYVFJYSZSA-N -1 0 328.412 3.699 20 0 EHADRM O=C([O-])c1cc(/C=C\c2csc(-c3ccc(F)cc3)n2)ncn1 ZINC000536390984 1023185588 /nfs/dbraw/zinc/18/55/88/1023185588.db2.gz QCKSOHINTWMQHV-WAYWQWQTSA-N -1 0 327.340 3.608 20 0 EHADRM Cc1ccc(SCC(=O)N=c2nc(-c3ccsc3)[n-]s2)cc1 ZINC000518280714 1023190514 /nfs/dbraw/zinc/19/05/14/1023190514.db2.gz JQHSQFKXLCFGOY-UHFFFAOYSA-N -1 0 347.490 3.728 20 0 EHADRM CCc1ccc(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C)C2)c(O)c1 ZINC000190360715 1023195084 /nfs/dbraw/zinc/19/50/84/1023195084.db2.gz BGZLBXKUQMFQET-LIRRHRJNSA-N -1 0 325.408 3.557 20 0 EHADRM CCCCCC[C@](C)(NC(=O)[C@H]1CCOC2(CCCC2)C1)C(=O)[O-] ZINC000909433330 1023216803 /nfs/dbraw/zinc/21/68/03/1023216803.db2.gz YAVIMYFENUUCQZ-YJBOKZPZSA-N -1 0 339.476 3.656 20 0 EHADRM O=C([O-])[C@H]1CC[C@H]1C(=O)Nc1ccc(F)cc1Nc1ccccc1F ZINC000507298438 1023233939 /nfs/dbraw/zinc/23/39/39/1023233939.db2.gz JYRIDUJVJCNSAE-NEPJUHHUSA-N -1 0 346.333 3.758 20 0 EHADRM COc1cc(-c2cccc([C@H](C)C(=O)[O-])c2)cnc1C(F)(F)F ZINC000567063078 1023268585 /nfs/dbraw/zinc/26/85/85/1023268585.db2.gz OIHXFDFHLKZPIB-VIFPVBQESA-N -1 0 325.286 3.964 20 0 EHADRM O=C(NCc1cccc(Cl)c1Cl)c1cc(=O)c2ccccc2[nH]1 ZINC000518400052 1023274254 /nfs/dbraw/zinc/27/42/54/1023274254.db2.gz WVOABKYIPLAQBG-UHFFFAOYSA-N -1 0 347.201 3.765 20 0 EHADRM Cc1n[n-]c(=N[C@@H](c2ccccc2)c2ccc(Br)cc2)o1 ZINC000341760019 1023276872 /nfs/dbraw/zinc/27/68/72/1023276872.db2.gz XNQCGBNTTQPHDY-HNNXBMFYSA-N -1 0 344.212 3.764 20 0 EHADRM CCc1c([N-]S(=O)(=O)c2cc(C)oc2C)cnn1CCC(C)C ZINC000276903973 1023323533 /nfs/dbraw/zinc/32/35/33/1023323533.db2.gz MBJODVKXWRLMKR-UHFFFAOYSA-N -1 0 339.461 3.502 20 0 EHADRM COc1c(C)ccc([N-]S(=O)(=O)c2sc(C)cc2C)c1C ZINC000431167954 1023371136 /nfs/dbraw/zinc/37/11/36/1023371136.db2.gz GJFFBCDHWZEITC-UHFFFAOYSA-N -1 0 325.455 3.791 20 0 EHADRM O=C([O-])c1ccc2nc(/C=C\c3cnn(CC(F)F)c3)sc2c1 ZINC000431168645 1023372041 /nfs/dbraw/zinc/37/20/41/1023372041.db2.gz QAEXZHVLGSMDOH-RJRFIUFISA-N -1 0 335.335 3.627 20 0 EHADRM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2SC)c1 ZINC000132612253 1023432359 /nfs/dbraw/zinc/43/23/59/1023432359.db2.gz WLUBCLYULVUHOU-UHFFFAOYSA-N -1 0 335.450 3.802 20 0 EHADRM CC(C)(C)[C@@H]1CCN(C(=O)N=c2[n-]nc(-c3ccccc3)s2)C1 ZINC000548482721 1023472829 /nfs/dbraw/zinc/47/28/29/1023472829.db2.gz BKSMAMNIXMVRHZ-CYBMUJFWSA-N -1 0 330.457 3.527 20 0 EHADRM Cc1cccc([C@@H](NC(=O)N=c2[n-]nc(C(F)F)s2)C(C)C)c1 ZINC000528947742 1033137400 /nfs/dbraw/zinc/13/74/00/1033137400.db2.gz VTBRKLFHMNXAOJ-NSHDSACASA-N -1 0 340.399 3.725 20 0 EHADRM CCC1(c2ccccc2)CN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000458218327 1023643471 /nfs/dbraw/zinc/64/34/71/1023643471.db2.gz PNXFGJOACPLYMK-UHFFFAOYSA-N -1 0 333.790 3.989 20 0 EHADRM CC(=O)Nc1cccc(NC(=O)CC2(CC(=O)[O-])CCCCC2)c1C ZINC000236578236 1023998401 /nfs/dbraw/zinc/99/84/01/1023998401.db2.gz TXMWSKYAOZOUAO-UHFFFAOYSA-N -1 0 346.427 3.707 20 0 EHADRM CC[C@@H](C)Cc1c(C)sc2nc(-c3ncc(C)cn3)[n-]c(=O)c12 ZINC000133651271 1024000908 /nfs/dbraw/zinc/00/09/08/1024000908.db2.gz MKYKKUVUSCLJEI-SECBINFHSA-N -1 0 328.441 3.647 20 0 EHADRM COc1c(-c2ccccc2OC[C@H]2CCOC2)ccc(F)c1C(=O)[O-] ZINC000657204112 1024081153 /nfs/dbraw/zinc/08/11/53/1024081153.db2.gz PNDNTIXZEBGINA-LBPRGKRZSA-N -1 0 346.354 3.615 20 0 EHADRM Cc1ccc(-c2ccccc2OC[C@@H]2CCOC2)cc1CC(=O)[O-] ZINC000657204163 1024085856 /nfs/dbraw/zinc/08/58/56/1024085856.db2.gz XGNNYWZABHBKJM-OAHLLOKOSA-N -1 0 326.392 3.704 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000634815476 1024095471 /nfs/dbraw/zinc/09/54/71/1024095471.db2.gz URWXHARLKJWZTO-BONVTDFDSA-N -1 0 331.334 3.774 20 0 EHADRM Cc1cocc1-c1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c(C)c1 ZINC000657205860 1024095493 /nfs/dbraw/zinc/09/54/93/1024095493.db2.gz TYUROVYKQKLQRS-OAHLLOKOSA-N -1 0 327.380 3.500 20 0 EHADRM O=C([O-])CCC(=O)c1ccc(-c2cccc3c2OCCCO3)cc1 ZINC000657208020 1024128035 /nfs/dbraw/zinc/12/80/35/1024128035.db2.gz WXLCOPZAXQPNPQ-UHFFFAOYSA-N -1 0 326.348 3.562 20 0 EHADRM COc1c(C(=O)[O-])sc(C)c1-c1ccc(C(F)(F)F)cc1CO ZINC000657208092 1024128486 /nfs/dbraw/zinc/12/84/86/1024128486.db2.gz ZUCMNUCSYDBSOQ-UHFFFAOYSA-N -1 0 346.326 3.941 20 0 EHADRM CCOc1ccccc1NC(=O)[C@@](C)(CC(=O)[O-])c1ccc(F)cc1 ZINC000634815807 1024146687 /nfs/dbraw/zinc/14/66/87/1024146687.db2.gz JWZBMKXXIOYOOZ-IBGZPJMESA-N -1 0 345.370 3.596 20 0 EHADRM C[C@H](Cc1ccc(NCc2ccc(N3CCCC3)nc2)cc1)C(=O)[O-] ZINC000417609422 1024157740 /nfs/dbraw/zinc/15/77/40/1024157740.db2.gz KXXCYFLFRJFOCY-OAHLLOKOSA-N -1 0 339.439 3.557 20 0 EHADRM CC(C)c1ccccc1N(C)C(=O)c1ncc(Br)cc1[O-] ZINC001141746994 1024164321 /nfs/dbraw/zinc/16/43/21/1024164321.db2.gz JMGBHJCFMSOCBZ-UHFFFAOYSA-N -1 0 349.228 3.950 20 0 EHADRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc2[nH]ccc2c1 ZINC000434631811 1024208123 /nfs/dbraw/zinc/20/81/23/1024208123.db2.gz SKBREZHEVQLXJY-UHFFFAOYSA-N -1 0 330.409 3.594 20 0 EHADRM COc1c(C)cc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1C ZINC000192889329 1024287645 /nfs/dbraw/zinc/28/76/45/1024287645.db2.gz DZMYYXJSSKMHBP-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM C[C@@H](CC(=O)N1C[C@H](C(=O)[O-])c2ccccc21)Cc1cccc(F)c1 ZINC000192944701 1024291869 /nfs/dbraw/zinc/29/18/69/1024291869.db2.gz IOSXZQXXSFFLCT-DYVFJYSZSA-N -1 0 341.382 3.609 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC000191405607 1024307234 /nfs/dbraw/zinc/30/72/34/1024307234.db2.gz WVXCBJYRNBWHPA-LBPRGKRZSA-N -1 0 347.798 3.621 20 0 EHADRM Cc1oc2ccc([N-]S(=O)(=O)c3cnn(C(C)C)c3)cc2c1C ZINC000330115950 1024323519 /nfs/dbraw/zinc/32/35/19/1024323519.db2.gz UQEDMKHZPJMDOD-UHFFFAOYSA-N -1 0 333.413 3.628 20 0 EHADRM COc1ccccc1C1(C(=O)[N-]OCc2ccccn2)CCCCC1 ZINC000909544242 1024342189 /nfs/dbraw/zinc/34/21/89/1024342189.db2.gz MQKHIICPDBBVDH-UHFFFAOYSA-N -1 0 340.423 3.540 20 0 EHADRM CC(C)Oc1cccc(CN[C@@H](C(=O)[O-])c2c(F)cccc2F)c1 ZINC000277254976 1024348390 /nfs/dbraw/zinc/34/83/90/1024348390.db2.gz KEEKDDATLBRXPR-QGZVFWFLSA-N -1 0 335.350 3.668 20 0 EHADRM Cc1cccc(C2(C(=O)N[C@@H]3CC[C@H](C(=O)[O-])C3)CCCCC2)c1 ZINC000194483674 1024418393 /nfs/dbraw/zinc/41/83/93/1024418393.db2.gz JBAUFELVRNSQOK-DOTOQJQBSA-N -1 0 329.440 3.566 20 0 EHADRM C[C@H](CC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC000194455622 1024421770 /nfs/dbraw/zinc/42/17/70/1024421770.db2.gz HOXQDORKFGLXRO-SCDSUCTJSA-N -1 0 343.345 3.569 20 0 EHADRM CCOc1cc2c(cc1[N-]S(=O)(=O)c1cccc(C)c1)O[C@H](C)C2 ZINC000520701670 1024446658 /nfs/dbraw/zinc/44/66/58/1024446658.db2.gz ZUALZANQHIYRTB-CYBMUJFWSA-N -1 0 347.436 3.518 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2cc(F)cc(F)c2F)CCCCC1 ZINC000320597321 1024481565 /nfs/dbraw/zinc/48/15/65/1024481565.db2.gz CUNNVCFPERAALM-UHFFFAOYSA-N -1 0 329.318 3.858 20 0 EHADRM O=C(Nc1nnc(/C=C/c2ccco2)s1)c1csc(C2CC2)n1 ZINC000152420913 1024501831 /nfs/dbraw/zinc/50/18/31/1024501831.db2.gz XUAOYLVBACZSCS-AATRIKPKSA-N -1 0 344.421 3.888 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccn(C(C)C)n2)c1Cl ZINC000280996538 1024508058 /nfs/dbraw/zinc/50/80/58/1024508058.db2.gz NGFVUBCQDFRPHT-UHFFFAOYSA-N -1 0 348.255 3.880 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2c(F)cccc2F)ccc1OC(C)C ZINC000607616850 1033216938 /nfs/dbraw/zinc/21/69/38/1033216938.db2.gz YDTIKYXKSGIKGW-UHFFFAOYSA-N -1 0 341.379 3.861 20 0 EHADRM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C)s2)c(C)c1C ZINC000514594697 1024593310 /nfs/dbraw/zinc/59/33/10/1024593310.db2.gz XAPJXLHIELHSAA-UHFFFAOYSA-N -1 0 325.455 3.791 20 0 EHADRM Cc1c(Cl)cc(NC(=O)N[C@H](CC(F)F)C(=O)[O-])cc1Cl ZINC000520746713 1024602891 /nfs/dbraw/zinc/60/28/91/1024602891.db2.gz UYLPXBMPXPDLIT-SECBINFHSA-N -1 0 341.141 3.532 20 0 EHADRM C[C@@H](N=c1[n-]c(C2CCOCC2)no1)c1ccccc1C(F)(F)F ZINC000520757997 1024633139 /nfs/dbraw/zinc/63/31/39/1024633139.db2.gz MPYDREYGEWTLQR-SNVBAGLBSA-N -1 0 341.333 3.577 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1noc2ccc(Cl)cc21 ZINC000427644004 1024640125 /nfs/dbraw/zinc/64/01/25/1024640125.db2.gz FEJBJYWIAQNJPU-UHFFFAOYSA-N -1 0 340.763 3.730 20 0 EHADRM O=[N+]([O-])c1cccc(C=Nn2c(-c3ccccc3F)n[n-]c2=S)c1 ZINC000001875491 1024645151 /nfs/dbraw/zinc/64/51/51/1024645151.db2.gz YCAWBKRIUWEUJR-UHFFFAOYSA-N -1 0 343.343 3.537 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)CC2CC(OC(C)(C)C)C2)cc1)C(=O)[O-] ZINC000909524561 1024648214 /nfs/dbraw/zinc/64/82/14/1024648214.db2.gz SMSYTMZHETYOBV-KTAKPFMOSA-N -1 0 347.455 3.872 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2Br)cc1 ZINC000435140210 1024655106 /nfs/dbraw/zinc/65/51/06/1024655106.db2.gz ZCLXJUMIZPIVMW-UHFFFAOYSA-N -1 0 344.205 3.697 20 0 EHADRM Oc1ccc(F)c(CNCc2cc(F)ccc2Br)c1F ZINC000510021624 1024671710 /nfs/dbraw/zinc/67/17/10/1024671710.db2.gz UQMVPGIVRWAOJP-UHFFFAOYSA-N -1 0 346.146 3.862 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2noc3cc(Cl)ccc32)cc1C ZINC000514688648 1024684471 /nfs/dbraw/zinc/68/44/71/1024684471.db2.gz SALJSLHXDVNTAV-UHFFFAOYSA-N -1 0 336.800 3.899 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)Nc3cccc(O)c3)n2)cc1 ZINC000427653028 1024693719 /nfs/dbraw/zinc/69/37/19/1024693719.db2.gz GYTDFWPNFVOJAW-UHFFFAOYSA-N -1 0 337.379 3.659 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N[C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000514732454 1024707304 /nfs/dbraw/zinc/70/73/04/1024707304.db2.gz ISYONMDGRMNMGN-ZEPSKSRBSA-N -1 0 335.831 3.725 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)c1cccc(OCc2cccc(Cl)c2)c1 ZINC000427675937 1024726105 /nfs/dbraw/zinc/72/61/05/1024726105.db2.gz BUWXJIXFOBETJN-GFCCVEGCSA-N -1 0 347.798 3.512 20 0 EHADRM CN(CC(=O)[O-])C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000427728138 1024758762 /nfs/dbraw/zinc/75/87/62/1024758762.db2.gz UKZQIFJLKAZJMH-UHFFFAOYSA-N -1 0 344.219 3.879 20 0 EHADRM CCOc1cccc(S(=O)(=O)[N-]c2ccc(C3CCC3)cn2)c1 ZINC000514911644 1024880034 /nfs/dbraw/zinc/88/00/34/1024880034.db2.gz DBXNOTHSCYRHPI-UHFFFAOYSA-N -1 0 332.425 3.549 20 0 EHADRM O=S(=O)([N-]C1(C(F)F)CCCCC1)c1c(F)cccc1Cl ZINC000508092057 1024885165 /nfs/dbraw/zinc/88/51/65/1024885165.db2.gz AWBGKNFKXQVLMN-UHFFFAOYSA-N -1 0 341.782 3.725 20 0 EHADRM O=S(=O)([N-]c1nc2cc(F)ccc2[nH]1)c1csc2ccccc21 ZINC000508190702 1024942191 /nfs/dbraw/zinc/94/21/91/1024942191.db2.gz MIJXGGLAIOANDH-UHFFFAOYSA-N -1 0 347.396 3.718 20 0 EHADRM CC(C)Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)[nH]n1 ZINC000474433127 1024964235 /nfs/dbraw/zinc/96/42/35/1024964235.db2.gz NWFLYXONTQNKQL-UHFFFAOYSA-N -1 0 348.255 3.716 20 0 EHADRM CC[C@@H](NC(=O)N1CCCCC[C@@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000684719161 1024967785 /nfs/dbraw/zinc/96/77/85/1024967785.db2.gz HJBMEXMGCKVHHC-HUUCEWRRSA-N -1 0 338.835 3.830 20 0 EHADRM O=S(=O)([N-]c1ccccc1O)c1c(Cl)cc(F)cc1Cl ZINC000435503240 1024970841 /nfs/dbraw/zinc/97/08/41/1024970841.db2.gz BTQOICGEZKOUTL-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM CC(C)CN(C)c1ccc(C(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000428117545 1024992404 /nfs/dbraw/zinc/99/24/04/1024992404.db2.gz TWOKMIQEECQMHC-UHFFFAOYSA-N -1 0 340.423 3.658 20 0 EHADRM CN(c1ccccc1)c1ccc(CN=c2[n-]nc(-c3ccco3)o2)cn1 ZINC000435710946 1025079615 /nfs/dbraw/zinc/07/96/15/1025079615.db2.gz MGFKXTVQTVXNEO-UHFFFAOYSA-N -1 0 347.378 3.527 20 0 EHADRM Cc1oc(CNC(=O)c2occc2-c2ccc(F)cc2)cc1C(=O)[O-] ZINC000190925445 1025090680 /nfs/dbraw/zinc/09/06/80/1025090680.db2.gz BZQRCRHTAFOHCT-UHFFFAOYSA-N -1 0 343.310 3.615 20 0 EHADRM COc1cc(C)c([N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1C ZINC000435717132 1025102253 /nfs/dbraw/zinc/10/22/53/1025102253.db2.gz KKVNSEQTGGDQHV-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM CCOC(=O)c1ncc(Nc2cc(C)cc(C(=O)[O-])c2)cc1Cl ZINC001211539059 1025154756 /nfs/dbraw/zinc/15/47/56/1025154756.db2.gz CWLLCGKEPBCWSL-UHFFFAOYSA-N -1 0 334.759 3.662 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccccc3)s2)cc1C ZINC000442102132 1025168616 /nfs/dbraw/zinc/16/86/16/1025168616.db2.gz JVUUJDNKOPKOMH-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM O=C([O-])[C@@H](CC1CC1)NC(=O)c1sc2cccc(F)c2c1Cl ZINC000909476001 1025177173 /nfs/dbraw/zinc/17/71/73/1025177173.db2.gz LHKGRIOCMKRDIG-SECBINFHSA-N -1 0 341.791 3.677 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cc(Br)cs1 ZINC000096734355 1025233657 /nfs/dbraw/zinc/23/36/57/1025233657.db2.gz KGMXKKMCBYQDIK-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM CCCN(C(=O)N=c1[n-]nc(CC)s1)[C@@H](CC)c1ccccc1 ZINC000521190532 1025253193 /nfs/dbraw/zinc/25/31/93/1025253193.db2.gz DSALJBCYOSYQQJ-AWEZNQCLSA-N -1 0 332.473 3.918 20 0 EHADRM CCC[C@H]1CCC[C@@H]1C(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC000515501205 1025292979 /nfs/dbraw/zinc/29/29/79/1025292979.db2.gz XVZGJHYOBKDLMZ-AAEUAGOBSA-N -1 0 335.400 3.557 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)N=c2[n-]nc(CC(C)C)s2)c1C ZINC000522463188 1025310651 /nfs/dbraw/zinc/31/06/51/1025310651.db2.gz NETZGSGFFXDNAL-ZDUSSCGKSA-N -1 0 332.473 3.658 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1cc(Cl)cc(C)c1O ZINC000436017176 1025317234 /nfs/dbraw/zinc/31/72/34/1025317234.db2.gz AOMWEHQTQLARLM-UHFFFAOYSA-N -1 0 343.857 3.877 20 0 EHADRM O=C([O-])[C@H]1CC[C@@H](NC(=O)c2ccccc2SCc2ccco2)C1 ZINC000684771329 1025412837 /nfs/dbraw/zinc/41/28/37/1025412837.db2.gz FMOMSQWKXFNUAT-QWHCGFSZSA-N -1 0 345.420 3.555 20 0 EHADRM C[C@@H](CNC(=O)c1ccc(CSc2ccccc2)cc1)CC(=O)[O-] ZINC000262164642 1025428779 /nfs/dbraw/zinc/42/87/79/1025428779.db2.gz DGMZWHSNBWXIHJ-CQSZACIVSA-N -1 0 343.448 3.820 20 0 EHADRM Cc1cc2cc[nH]c2cc1NS(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000436167054 1025429298 /nfs/dbraw/zinc/42/92/98/1025429298.db2.gz AGESBLDPEBKXDT-UHFFFAOYSA-N -1 0 342.420 3.602 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(CCC(C)C)C3)o1 ZINC000342444119 1025531341 /nfs/dbraw/zinc/53/13/41/1025531341.db2.gz HGNDTWDDCNBQLF-UHFFFAOYSA-N -1 0 348.468 3.751 20 0 EHADRM CC(C)CCC[C@H](C)NC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000391964642 1025537211 /nfs/dbraw/zinc/53/72/11/1025537211.db2.gz NRTLBXIABUSYRL-YOEHRIQHSA-N -1 0 332.444 3.595 20 0 EHADRM COc1ccc(Cl)cc1C(C)(C)NCc1cc(=O)[nH]c(C2CC2)n1 ZINC000425509584 1025568321 /nfs/dbraw/zinc/56/83/21/1025568321.db2.gz IZBHTMDSKOMFRS-UHFFFAOYSA-N -1 0 347.846 3.747 20 0 EHADRM O=C([O-])[C@@H](CC(=O)N[C@@H](c1ccco1)c1ccccc1)c1ccccc1 ZINC000054500355 1025659384 /nfs/dbraw/zinc/65/93/84/1025659384.db2.gz CMSVCWYTQATLQX-FXAWDEMLSA-N -1 0 349.386 3.744 20 0 EHADRM CCCC[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000347256189 1025764931 /nfs/dbraw/zinc/76/49/31/1025764931.db2.gz GDECTHBDFHWONS-RDBSUJKOSA-N -1 0 343.345 3.569 20 0 EHADRM Cc1cccc(NC(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])n1 ZINC000303883626 1025789001 /nfs/dbraw/zinc/78/90/01/1025789001.db2.gz OSJUJEMLBFOORL-UHFFFAOYSA-N -1 0 336.395 3.657 20 0 EHADRM COC[C@@H](OC)c1noc(-c2cc(Cl)c3ccccc3c2[O-])n1 ZINC000896653628 1025809843 /nfs/dbraw/zinc/80/98/43/1025809843.db2.gz QSZQIIAHRYMEMH-CYBMUJFWSA-N -1 0 334.759 3.583 20 0 EHADRM O=C(NC[C@H]1CCCC[C@@H]1C(F)(F)F)c1cc(F)c([O-])c(F)c1 ZINC000436523656 1025825025 /nfs/dbraw/zinc/82/50/25/1025825025.db2.gz UZEMOXOASCKUNM-SCZZXKLOSA-N -1 0 337.288 3.769 20 0 EHADRM COc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2C)ccc1Cl ZINC000191110095 1025864005 /nfs/dbraw/zinc/86/40/05/1025864005.db2.gz RPLPZCNHOPNTKK-OAHLLOKOSA-N -1 0 347.798 3.603 20 0 EHADRM O=C(OCc1cc(=O)oc2cc(O)ccc12)C1(C2CCC2)CCC1 ZINC000840583394 1025864348 /nfs/dbraw/zinc/86/43/48/1025864348.db2.gz YWRFNIBDBVSHQU-UHFFFAOYSA-N -1 0 328.364 3.512 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)Nc1cccc2c1CCO2)C1CCCCC1 ZINC000530476056 1025883964 /nfs/dbraw/zinc/88/39/64/1025883964.db2.gz KTCVJCZRUJDHLL-LJQANCHMSA-N -1 0 331.412 3.621 20 0 EHADRM C[C@H]1OCCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])[C@@H]1C ZINC000436594087 1025911127 /nfs/dbraw/zinc/91/11/27/1025911127.db2.gz DDEOAKZNBYJRPI-CHWSQXEVSA-N -1 0 345.826 3.962 20 0 EHADRM O=C(c1c([O-])cc(Cl)cc1Cl)N1CCc2ccsc2C1 ZINC000436586055 1025927885 /nfs/dbraw/zinc/92/78/85/1025927885.db2.gz USLMRBMNVUVEDM-UHFFFAOYSA-N -1 0 328.220 3.959 20 0 EHADRM Cc1cc(=O)c2cc(NC(=O)c3cc(F)c([O-])c(Cl)c3)ccc2[nH]1 ZINC000436604049 1025935167 /nfs/dbraw/zinc/93/51/67/1025935167.db2.gz IIPTYPBIRZPCFW-UHFFFAOYSA-N -1 0 346.745 3.587 20 0 EHADRM O=C(c1ccc(O)cc1O)N1CCC[C@H](CCCc2ccccc2)C1 ZINC000436631032 1025959927 /nfs/dbraw/zinc/95/99/27/1025959927.db2.gz RTUVKVBVTWYMOL-KRWDZBQOSA-N -1 0 339.435 3.973 20 0 EHADRM COc1ccc(F)cc1NC(=O)c1ccc(Br)cc1[O-] ZINC000436620953 1025969427 /nfs/dbraw/zinc/96/94/27/1025969427.db2.gz XGTSUWZNKHTOQV-UHFFFAOYSA-N -1 0 340.148 3.555 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H]2Cc3ccccc3S2)c1 ZINC000436653888 1025979804 /nfs/dbraw/zinc/97/98/04/1025979804.db2.gz BRPVAJRIBFAVDT-KRWDZBQOSA-N -1 0 327.405 3.640 20 0 EHADRM C[C@H](CNC(=O)c1ccc([O-])c(Cl)c1)Oc1ccccc1Cl ZINC000436640139 1025988410 /nfs/dbraw/zinc/98/84/10/1025988410.db2.gz UPNHGUVGJHALQK-SNVBAGLBSA-N -1 0 340.206 3.896 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H]2COc3ccc(Cl)cc32)c1 ZINC000436644124 1025993136 /nfs/dbraw/zinc/99/31/36/1025993136.db2.gz HULIAPRFJHVTEJ-ZDUSSCGKSA-N -1 0 345.782 3.753 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)c(C)c1 ZINC000443399254 1025995586 /nfs/dbraw/zinc/99/55/86/1025995586.db2.gz LZOWJIDYJQPCSG-UHFFFAOYSA-N -1 0 331.437 3.818 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H]2SCCc3ccccc32)c1 ZINC000436649080 1025999699 /nfs/dbraw/zinc/99/96/99/1025999699.db2.gz VMIJXVBXIXIZHV-SFHVURJKSA-N -1 0 341.432 3.954 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H](C)Oc2ccc(F)c(F)c2)c1 ZINC000436648669 1026000871 /nfs/dbraw/zinc/00/08/71/1026000871.db2.gz UNVIIODOTQDQLS-JTQLQIEISA-N -1 0 349.333 3.669 20 0 EHADRM Cc1csc(-c2cccc(NC(=O)C(=O)c3ccc(O)cc3)c2)n1 ZINC000436663375 1026002046 /nfs/dbraw/zinc/00/20/46/1026002046.db2.gz GDHMGRKZSIMCKO-UHFFFAOYSA-N -1 0 338.388 3.646 20 0 EHADRM O=C(N[C@@H](Cc1ccccc1)c1cccs1)c1ccc(O)cc1O ZINC000436665865 1026003206 /nfs/dbraw/zinc/00/32/06/1026003206.db2.gz QCSNBNXRGHPKGA-INIZCTEOSA-N -1 0 339.416 3.873 20 0 EHADRM Cc1cc(CN=c2[n-]nc(Cc3ccc(F)cc3)o2)cc2cccnc12 ZINC000342514748 1026008612 /nfs/dbraw/zinc/00/86/12/1026008612.db2.gz RYVPQDHQZQBZDK-UHFFFAOYSA-N -1 0 348.381 3.690 20 0 EHADRM CC(C)c1noc(=NCCCc2ccc(Br)cc2F)[n-]1 ZINC000522966187 1026011149 /nfs/dbraw/zinc/01/11/49/1026011149.db2.gz DPYVENGXDPTJCP-UHFFFAOYSA-N -1 0 342.212 3.561 20 0 EHADRM CCc1cccnc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000443425029 1026026098 /nfs/dbraw/zinc/02/60/98/1026026098.db2.gz WWDAINSRQUQUKB-UHFFFAOYSA-N -1 0 331.224 3.752 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cc(C)n(C3CCCCC3)n2)c1 ZINC000436682580 1026036047 /nfs/dbraw/zinc/03/60/47/1026036047.db2.gz VSZJLSVURAJMPK-UHFFFAOYSA-N -1 0 341.411 3.857 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cc(C)n(-c3ccc(C)cc3)n2)c1 ZINC000436682292 1026036132 /nfs/dbraw/zinc/03/61/32/1026036132.db2.gz UXOIEIPYFJMVBE-UHFFFAOYSA-N -1 0 349.390 3.650 20 0 EHADRM O=S(=O)(Nc1ccc(-c2cc[nH]n2)cc1)c1ccc(Cl)cc1 ZINC000045095885 1026060463 /nfs/dbraw/zinc/06/04/63/1026060463.db2.gz IGYJAIKGLCXTTO-UHFFFAOYSA-N -1 0 333.800 3.531 20 0 EHADRM C[C@H](c1cc2ccccc2o1)N(C)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000665329543 1026066404 /nfs/dbraw/zinc/06/64/04/1026066404.db2.gz JYRLVWAEUWBEHJ-IUODEOHRSA-N -1 0 344.411 3.636 20 0 EHADRM CC(=O)c1cc(NC(=O)c2cc(F)cc(Cl)c2[O-])ccc1F ZINC000436715573 1026084765 /nfs/dbraw/zinc/08/47/65/1026084765.db2.gz XXJZGCWKSQFXGM-UHFFFAOYSA-N -1 0 325.698 3.779 20 0 EHADRM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CC2(C(=O)[O-])CCC2)o1 ZINC000262423537 1026115866 /nfs/dbraw/zinc/11/58/66/1026115866.db2.gz AZSZEMIPDRCSGG-DZGCQCFKSA-N -1 0 333.428 3.787 20 0 EHADRM O=C(N[C@@H](c1ccccc1)[C@H]1CCOC1)c1ccc(Cl)cc1O ZINC000436751657 1026139702 /nfs/dbraw/zinc/13/97/02/1026139702.db2.gz UJKIZTXPRKFWMD-GUYCJALGSA-N -1 0 331.799 3.553 20 0 EHADRM COc1cnc2ccccc2c1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000436772751 1026149569 /nfs/dbraw/zinc/14/95/69/1026149569.db2.gz MBBBURZCJWDFAN-UHFFFAOYSA-N -1 0 346.745 3.994 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Br ZINC000128292472 1026152619 /nfs/dbraw/zinc/15/26/19/1026152619.db2.gz XRKGVDTWBPLRMT-IUCAKERBSA-N -1 0 346.608 3.542 20 0 EHADRM CC(C)CN=c1[n-]nc(SCc2nc(C3CC3)cs2)s1 ZINC000342540128 1026181013 /nfs/dbraw/zinc/18/10/13/1026181013.db2.gz DPKQMOUCYZNWLW-UHFFFAOYSA-N -1 0 326.516 3.654 20 0 EHADRM CCC(CC)(NC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000342566090 1026310439 /nfs/dbraw/zinc/31/04/39/1026310439.db2.gz LFZOSTIWYNGIJV-SECBINFHSA-N -1 0 348.226 3.520 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2n[nH]c3ccccc32)cc1 ZINC000320537653 1026331752 /nfs/dbraw/zinc/33/17/52/1026331752.db2.gz QQWNQTSVSSVCER-LBPRGKRZSA-N -1 0 329.425 3.877 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cccc(C3SCCS3)c2)CCC1 ZINC000262450066 1026339506 /nfs/dbraw/zinc/33/95/06/1026339506.db2.gz DRTWTYIJNAXOTH-UHFFFAOYSA-N -1 0 337.466 3.749 20 0 EHADRM C[C@H]1CCN(C(=O)N=c2nc(-c3ccsc3)[n-]s2)CC1(C)C ZINC000582466631 1026346193 /nfs/dbraw/zinc/34/61/93/1026346193.db2.gz ONJBRASVUYWQSE-JTQLQIEISA-N -1 0 336.486 3.588 20 0 EHADRM O=S(=O)(/C=C/c1ccc(F)cc1)Nc1ccccc1OC(F)F ZINC000176675994 1026401910 /nfs/dbraw/zinc/40/19/10/1026401910.db2.gz QZDVABNKSYHPRE-MDZDMXLPSA-N -1 0 343.326 3.840 20 0 EHADRM Cc1ccc2c(O)c(C(=O)N(C)Cc3cccc(C)c3C)cnc2n1 ZINC000451947194 1026407813 /nfs/dbraw/zinc/40/78/13/1026407813.db2.gz OVZHTYABSOQSTM-UHFFFAOYSA-N -1 0 335.407 3.533 20 0 EHADRM CCN(CC(=O)[O-])C(=O)c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000431427447 1026425018 /nfs/dbraw/zinc/42/50/18/1026425018.db2.gz NYYZBVAPBCTJLQ-UHFFFAOYSA-N -1 0 333.771 3.679 20 0 EHADRM Cc1cccc(CN=c2[n-]nc(Cc3ccc(Cl)cc3)o2)c1C ZINC000538507017 1026425301 /nfs/dbraw/zinc/42/53/01/1026425301.db2.gz WREVOASDAVSKEK-UHFFFAOYSA-N -1 0 327.815 3.965 20 0 EHADRM COc1cccc(-c2noc([N-]Cc3nc(C(C)(C)C)co3)n2)c1 ZINC000897172943 1026446937 /nfs/dbraw/zinc/44/69/37/1026446937.db2.gz BNPWLFXGIXNQNX-UHFFFAOYSA-N -1 0 328.372 3.643 20 0 EHADRM Cc1cnc(CCSc2n[n-]c(=NCc3ccco3)s2)c(C)c1 ZINC000582546031 1026540767 /nfs/dbraw/zinc/54/07/67/1026540767.db2.gz WAVBDSCVGWFZHA-UHFFFAOYSA-N -1 0 346.481 3.512 20 0 EHADRM Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1cc(C(=O)[O-])c(C)cc1C)C2 ZINC000262479235 1026553765 /nfs/dbraw/zinc/55/37/65/1026553765.db2.gz HTDAXQDFCVRXRG-GOSISDBHSA-N -1 0 339.391 3.561 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)Nc1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000521488616 1026553907 /nfs/dbraw/zinc/55/39/07/1026553907.db2.gz VJKPNZOGYBFWPO-ZWNOBZJWSA-N -1 0 346.349 3.802 20 0 EHADRM CC(C)(CC(=O)NCCC(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000392716772 1026575715 /nfs/dbraw/zinc/57/57/15/1026575715.db2.gz SEJJCANFUVODEZ-UHFFFAOYSA-N -1 0 339.435 3.826 20 0 EHADRM COCCOc1c(F)cc(Nc2cc(C)cc(C(=O)[O-])c2)cc1F ZINC001211549142 1026607858 /nfs/dbraw/zinc/60/78/58/1026607858.db2.gz FJNJTLCJQKFVMI-UHFFFAOYSA-N -1 0 337.322 3.740 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)[C@@H]1CCOC2(CCC2)C1 ZINC000897272210 1026635281 /nfs/dbraw/zinc/63/52/81/1026635281.db2.gz ACSVZTGIEOMKIM-SECBINFHSA-N -1 0 330.211 3.987 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])C1 ZINC000909582274 1026702308 /nfs/dbraw/zinc/70/23/08/1026702308.db2.gz DUOZMWAINNBETG-LOUJCGABSA-N -1 0 333.403 3.626 20 0 EHADRM Cc1cc(C(=O)N([C@@H](C)C(=O)[O-])C2CC2)sc1-c1ccc(F)cc1 ZINC000262143263 1026867816 /nfs/dbraw/zinc/86/78/16/1026867816.db2.gz MDSLHGAIGJOVJH-NSHDSACASA-N -1 0 347.411 3.940 20 0 EHADRM CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1c([O-])cc(F)cc1F ZINC000128054607 1026893076 /nfs/dbraw/zinc/89/30/76/1026893076.db2.gz ASLLFILLIVLXJT-SNVBAGLBSA-N -1 0 345.349 3.531 20 0 EHADRM C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000452646790 1026893524 /nfs/dbraw/zinc/89/35/24/1026893524.db2.gz PKRPMQYBJIQQNZ-VXNVDRBHSA-N -1 0 339.716 3.988 20 0 EHADRM CC(C)c1n[n-]c(=NCc2cc3cc(Br)ccc3o2)o1 ZINC000563431712 1026925394 /nfs/dbraw/zinc/92/53/94/1026925394.db2.gz JLUXSSWKQIWHQH-UHFFFAOYSA-N -1 0 336.189 3.736 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000582684842 1026928150 /nfs/dbraw/zinc/92/81/50/1026928150.db2.gz SVAJQXRKFLRMEX-ZDUSSCGKSA-N -1 0 344.333 3.653 20 0 EHADRM Cc1cc(Cl)c(NC(=O)NC[C@H](C(=O)[O-])C(C)C)cc1Cl ZINC000128394523 1026977488 /nfs/dbraw/zinc/97/74/88/1026977488.db2.gz HJSQITKEJHWFAD-VIFPVBQESA-N -1 0 333.215 3.780 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1C ZINC000342773296 1027005025 /nfs/dbraw/zinc/00/50/25/1027005025.db2.gz AXVJPFYVEWJZFL-GFCCVEGCSA-N -1 0 344.440 3.512 20 0 EHADRM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2cncc(F)c2)c1Cl ZINC000685007168 1027038436 /nfs/dbraw/zinc/03/84/36/1027038436.db2.gz NPUVTPKZYFMVDZ-UHFFFAOYSA-N -1 0 349.214 3.945 20 0 EHADRM CC[C@@H]1CCN(C(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])C1 ZINC000153155047 1027128545 /nfs/dbraw/zinc/12/85/45/1027128545.db2.gz RLJAQEJTQKFRFB-CQSZACIVSA-N -1 0 327.428 3.573 20 0 EHADRM O=C([O-])CCCCCNC(=O)N[C@H]1CCCc2sc(Cl)cc21 ZINC000414610693 1027158708 /nfs/dbraw/zinc/15/87/08/1027158708.db2.gz NMNNJDRIPCLFSE-NSHDSACASA-N -1 0 344.864 3.723 20 0 EHADRM CCC[C@H]1CCCC[C@H]1NC(=O)N=c1[n-]nc(SCC)s1 ZINC000560320363 1027174968 /nfs/dbraw/zinc/17/49/68/1027174968.db2.gz BNWSMQSYXRKBNG-WDEREUQCSA-N -1 0 328.507 3.552 20 0 EHADRM O=C(c1ccc(F)cc1[O-])N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000123389884 1027198543 /nfs/dbraw/zinc/19/85/43/1027198543.db2.gz ZYNPBGFMHQTQRD-LBPRGKRZSA-N -1 0 340.354 3.692 20 0 EHADRM CC(C)c1noc(=NCc2ccnc3c(Br)cccc23)[n-]1 ZINC000453047039 1027260969 /nfs/dbraw/zinc/26/09/69/1027260969.db2.gz OIUQKSVTACWOBW-UHFFFAOYSA-N -1 0 347.216 3.538 20 0 EHADRM COc1ccccc1-c1n[n-]c(=NCc2ccc(F)cc2Cl)o1 ZINC000428351819 1027337645 /nfs/dbraw/zinc/33/76/45/1027337645.db2.gz YSFNBYLHVFKXNR-UHFFFAOYSA-N -1 0 333.750 3.572 20 0 EHADRM Cc1ccc(CCCC(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)s1 ZINC000079465620 1027345574 /nfs/dbraw/zinc/34/55/74/1027345574.db2.gz RHMABKPGLQUVOL-UHFFFAOYSA-N -1 0 343.408 3.774 20 0 EHADRM COC1(C(=O)Nc2cc(Cl)c([O-])cc2F)CCC(F)(F)CC1 ZINC000614829560 1027372148 /nfs/dbraw/zinc/37/21/48/1027372148.db2.gz UESZHUHLCRUVGO-UHFFFAOYSA-N -1 0 337.725 3.718 20 0 EHADRM Cc1cc(-n2ccnc2)ccc1CSc1nc(C2CC2)cc(=O)[nH]1 ZINC000475900024 1027384809 /nfs/dbraw/zinc/38/48/09/1027384809.db2.gz RVRWYONZKVPYAV-UHFFFAOYSA-N -1 0 338.436 3.846 20 0 EHADRM C[C@@H]1c2ccsc2CCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000273384329 1027406109 /nfs/dbraw/zinc/40/61/09/1027406109.db2.gz NLPGUTGGJCGQKI-SSDOTTSWSA-N -1 0 327.327 3.631 20 0 EHADRM CC(C)CNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000614744766 1027478843 /nfs/dbraw/zinc/47/88/43/1027478843.db2.gz FTWOKVIFAZXWEC-UHFFFAOYSA-N -1 0 346.814 3.684 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CCC1 ZINC000262517938 1027494600 /nfs/dbraw/zinc/49/46/00/1027494600.db2.gz NRNIHSNKRHYGOX-UHFFFAOYSA-N -1 0 335.709 3.942 20 0 EHADRM O=C([N-]Cc1cc(F)cc(N[C@@H]2C[C@@H]3CC[C@@H](C3)C2)c1)C(F)(F)F ZINC000711089199 1027714478 /nfs/dbraw/zinc/71/44/78/1027714478.db2.gz FYCOQSFZPCVTSV-GNXNZQSNSA-N -1 0 344.352 3.995 20 0 EHADRM CC[C@H](NC(=O)N(C)C1(C(=O)[O-])CCCC1)c1cccc(Cl)c1 ZINC000514648252 1027719175 /nfs/dbraw/zinc/71/91/75/1027719175.db2.gz OQFFDNQPGOAKBN-AWEZNQCLSA-N -1 0 338.835 3.830 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cccc(OC3CCCCC3)c2)C1 ZINC000422584161 1027809682 /nfs/dbraw/zinc/80/96/82/1027809682.db2.gz DUELNWZWJNYMBJ-GOEBONIOSA-N -1 0 345.439 3.581 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccccc2OC2CCCCC2)C1 ZINC000422596975 1027819739 /nfs/dbraw/zinc/81/97/39/1027819739.db2.gz TYZTXBFCDRVFIL-HUUCEWRRSA-N -1 0 345.439 3.581 20 0 EHADRM O=C(N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc([O-])c(Cl)c1 ZINC000119860718 1027828299 /nfs/dbraw/zinc/82/82/99/1027828299.db2.gz NGAUXESTRFIRNB-SUMWQHHRSA-N -1 0 345.826 3.943 20 0 EHADRM Cc1cccc(C2(C(=O)N3CCC[C@H](CC(=O)[O-])C3)CCCCC2)c1 ZINC000532676457 1027837714 /nfs/dbraw/zinc/83/77/14/1027837714.db2.gz LVZQFRNLZUNTDY-QGZVFWFLSA-N -1 0 343.467 3.910 20 0 EHADRM O=C(Nc1cccc(-c2cn[nH]c2)c1)c1ccc2[n-]c(=S)oc2c1 ZINC000132047007 1027855834 /nfs/dbraw/zinc/85/58/34/1027855834.db2.gz PLYOAOHMFUHZGC-UHFFFAOYSA-N -1 0 336.376 3.759 20 0 EHADRM CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1ccc([O-])c(Cl)c1 ZINC000305798091 1027889624 /nfs/dbraw/zinc/88/96/24/1027889624.db2.gz BPEUJQIDQVEJDC-KRWDZBQOSA-N -1 0 333.815 3.550 20 0 EHADRM CCC[C@@H](NC(=O)CC1(C(=O)[O-])CCC1)c1ccc(F)cc1F ZINC000262548271 1027894341 /nfs/dbraw/zinc/89/43/41/1027894341.db2.gz SNGQJFAGFPRVQR-CQSZACIVSA-N -1 0 325.355 3.567 20 0 EHADRM CC(C)[C@H]1CN(C(=O)c2nn(-c3ccccc3)cc2[O-])c2ccccc21 ZINC000487501951 1027960450 /nfs/dbraw/zinc/96/04/50/1027960450.db2.gz LTJBOWJQJQZEEX-QGZVFWFLSA-N -1 0 347.418 3.978 20 0 EHADRM C[C@@H]1CCN(C(=O)CC2CCC(C(=O)[O-])CC2)[C@@H](c2ccco2)C1 ZINC000582847172 1027993838 /nfs/dbraw/zinc/99/38/38/1027993838.db2.gz DHIXVHXYZHOURM-PRLABOORSA-N -1 0 333.428 3.860 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cccc(F)c2Cl)Cc2ccccc2C1 ZINC000342903169 1028022295 /nfs/dbraw/zinc/02/22/95/1028022295.db2.gz QFMCDTQDOOQMFU-UHFFFAOYSA-N -1 0 347.773 3.678 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)nc2)c1 ZINC000511209934 1028029232 /nfs/dbraw/zinc/02/92/32/1028029232.db2.gz RKFULZAREPDUBA-UHFFFAOYSA-N -1 0 340.404 3.983 20 0 EHADRM FC(F)COc1cccc(CN=c2[n-]nc(-c3ccccc3)s2)c1 ZINC000523298693 1028120755 /nfs/dbraw/zinc/12/07/55/1028120755.db2.gz ZXDBIGSDXANLKI-UHFFFAOYSA-N -1 0 347.390 3.883 20 0 EHADRM CCCc1nc(=NC(=O)N2CCC[C@@H]2c2ccc(F)cc2C)s[n-]1 ZINC000455386488 1028130414 /nfs/dbraw/zinc/13/04/14/1028130414.db2.gz XKNKXOJUXVFOAF-CQSZACIVSA-N -1 0 348.447 3.729 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C)nn1C(C)C ZINC000421169527 1028147301 /nfs/dbraw/zinc/14/73/01/1028147301.db2.gz BTOGNQQSNRREIU-UHFFFAOYSA-N -1 0 327.837 3.535 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2ccnc(Br)c2)c1 ZINC001211958306 1028166437 /nfs/dbraw/zinc/16/64/37/1028166437.db2.gz KGDIXCNPECLBGF-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM O=C(N=c1[n-]nc(C2CC2)s1)NC1CCC(c2ccccc2)CC1 ZINC000548777892 1028179590 /nfs/dbraw/zinc/17/95/90/1028179590.db2.gz WTKCETMKJOOCGC-UHFFFAOYSA-N -1 0 342.468 3.685 20 0 EHADRM Cc1ncc(S(=O)(=O)[N-]c2ccc3c(c2)Cc2ccccc2-3)s1 ZINC000533627313 1028192603 /nfs/dbraw/zinc/19/26/03/1028192603.db2.gz KFSQJXLGNOSMIX-UHFFFAOYSA-N -1 0 342.445 3.824 20 0 EHADRM O=S(=O)(CCc1ccc(Cl)cc1)Nc1cc(C2CC2)ccn1 ZINC000582899534 1028197067 /nfs/dbraw/zinc/19/70/67/1028197067.db2.gz ZCQCFBIWJXOWKJ-UHFFFAOYSA-N -1 0 336.844 3.597 20 0 EHADRM C[C@@H](C(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000532694186 1028202338 /nfs/dbraw/zinc/20/23/38/1028202338.db2.gz LYMYBEQAZCRVCU-MNOVXSKESA-N -1 0 344.238 3.810 20 0 EHADRM O=c1nc(-c2ncccn2)[n-]c2scc(-c3ccc(Cl)cc3)c21 ZINC000054751960 1028247352 /nfs/dbraw/zinc/24/73/52/1028247352.db2.gz DKVNURIKKIPZCJ-UHFFFAOYSA-N -1 0 340.795 3.762 20 0 EHADRM Cc1cc(Br)cc(C)c1NC(=O)C[C@H](C)CC(=O)[O-] ZINC000061834690 1028262241 /nfs/dbraw/zinc/26/22/41/1028262241.db2.gz IHUQKEACJYSMOA-QMMMGPOBSA-N -1 0 328.206 3.505 20 0 EHADRM COc1cc(OC)c(OC)cc1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211966787 1028315613 /nfs/dbraw/zinc/31/56/13/1028315613.db2.gz LOTDJJWIICFZRG-UHFFFAOYSA-N -1 0 337.759 3.808 20 0 EHADRM O=C([O-])C1(CC(=O)N(Cc2cccs2)Cc2cccs2)CCC1 ZINC000261885553 1028316636 /nfs/dbraw/zinc/31/66/36/1028316636.db2.gz MYPHVCJAYKBAKQ-UHFFFAOYSA-N -1 0 349.477 3.983 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)C1 ZINC000444916865 1028410360 /nfs/dbraw/zinc/41/03/60/1028410360.db2.gz CNAAMTFEAKDLIA-ZJUUUORDSA-N -1 0 336.848 3.591 20 0 EHADRM C[C@@H]1Cc2cc(Nc3cc(Cl)cc(C(=O)[O-])c3)ccc2N(C)C1=O ZINC001211969405 1028430665 /nfs/dbraw/zinc/43/06/65/1028430665.db2.gz HTUGJZIWGDBXDU-SNVBAGLBSA-N -1 0 344.798 3.937 20 0 EHADRM Cc1cc(C(F)(F)F)ccc1CN=c1[n-]nc(-c2ccon2)s1 ZINC000342967626 1028438390 /nfs/dbraw/zinc/43/83/90/1028438390.db2.gz WWBBIVMVSIOAAK-UHFFFAOYSA-N -1 0 340.330 3.554 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N[C@H]2CCC[C@H]2c2ccccc2)s1 ZINC000523585464 1028454102 /nfs/dbraw/zinc/45/41/02/1028454102.db2.gz JZGBLJUFUHTGAX-STQMWFEESA-N -1 0 348.497 3.530 20 0 EHADRM CCc1cc(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)sc1C ZINC000322053043 1028490011 /nfs/dbraw/zinc/49/00/11/1028490011.db2.gz AOSICAJIFHUOFG-UHFFFAOYSA-N -1 0 329.421 3.516 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)Nc2cccc3[nH]ccc32)s1 ZINC000502659898 1028505410 /nfs/dbraw/zinc/50/54/10/1028505410.db2.gz BMFBMOQQAYLEGU-UHFFFAOYSA-N -1 0 329.429 3.818 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000237976904 1028526299 /nfs/dbraw/zinc/52/62/99/1028526299.db2.gz NALNZYQRFPVUBR-NXQUOZRTSA-N -1 0 347.842 3.688 20 0 EHADRM Cc1nn(C)c2ncc(/C=C/c3cc(C(=O)[O-])c4ccccc4n3)cc12 ZINC000195083092 1028578138 /nfs/dbraw/zinc/57/81/38/1028578138.db2.gz FTJKNYUZZSXSHG-BQYQJAHWSA-N -1 0 344.374 3.694 20 0 EHADRM CC(C)c1ccc(-c2nc(C(=O)NC(C)(C)C(=O)[O-])cs2)cc1 ZINC000236785928 1028580761 /nfs/dbraw/zinc/58/07/61/1028580761.db2.gz VHENHCWTHWZUHX-UHFFFAOYSA-N -1 0 332.425 3.527 20 0 EHADRM CC(C)C[C@@H](NC(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)[O-] ZINC000236767807 1028580857 /nfs/dbraw/zinc/58/08/57/1028580857.db2.gz NMHNQCXGKBATDM-MRXNPFEDSA-N -1 0 347.386 3.634 20 0 EHADRM CCC[C@](C)(NC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000236819326 1028590906 /nfs/dbraw/zinc/59/09/06/1028590906.db2.gz YMWOKVMFWAKYQN-PSLIRLAXSA-N -1 0 348.226 3.520 20 0 EHADRM CCN(C(=O)c1ccc(C(=O)[O-])nc1)[C@@H](C)c1cc2ccccc2o1 ZINC000237030683 1028617425 /nfs/dbraw/zinc/61/74/25/1028617425.db2.gz AWXXQZXPANSOQT-LBPRGKRZSA-N -1 0 338.363 3.749 20 0 EHADRM [O-]c1ccc(-c2nc(-c3ccc(OCC4CC4)nc3)no2)cc1Cl ZINC000445229512 1028621065 /nfs/dbraw/zinc/62/10/65/1028621065.db2.gz UISNVLQHKKZGTL-UHFFFAOYSA-N -1 0 343.770 3.946 20 0 EHADRM CO[C@H](C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)c1ccccc1 ZINC000237168056 1028641355 /nfs/dbraw/zinc/64/13/55/1028641355.db2.gz VZEYYZIDNGHMFE-INIZCTEOSA-N -1 0 341.388 3.926 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N(CC1CC1)CC1CC1)C(=O)[O-] ZINC000237367795 1028647425 /nfs/dbraw/zinc/64/74/25/1028647425.db2.gz RIHYLQCKSJCCFN-GFCCVEGCSA-N -1 0 333.453 3.514 20 0 EHADRM CCN(C(=O)[C@@H]1CC[C@@H]1C(=O)[O-])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000262688692 1028650419 /nfs/dbraw/zinc/65/04/19/1028650419.db2.gz ZMPBDSVGBKXKKM-GDLCADMTSA-N -1 0 343.345 3.726 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)NCC1(C(F)(F)F)CC1)C1CCCCC1 ZINC000504483565 1028685549 /nfs/dbraw/zinc/68/55/49/1028685549.db2.gz XTGNVZBFDNMFBP-AWEZNQCLSA-N -1 0 335.366 3.506 20 0 EHADRM O=C([O-])c1ccc2c(c1)nc(/C=C\c1csnn1)n2-c1ccccc1 ZINC000611744638 1028705309 /nfs/dbraw/zinc/70/53/09/1028705309.db2.gz QVLTVPJEKUCHNE-CLFYSBASSA-N -1 0 348.387 3.746 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1onc(C2CC2)c1Cl ZINC001212017464 1028744197 /nfs/dbraw/zinc/74/41/97/1028744197.db2.gz DFOYANCTDWQRRV-ZYHUDNBSSA-N -1 0 346.880 3.700 20 0 EHADRM CC(C)Oc1ccc(CC[C@@H](C)NC(=O)CC2(C(=O)[O-])CCC2)cc1 ZINC000262565484 1028938656 /nfs/dbraw/zinc/93/86/56/1028938656.db2.gz XTCOIYXDVIOBOP-OAHLLOKOSA-N -1 0 347.455 3.556 20 0 EHADRM c1c2c(nn1C1CCCC1)[C@H](N=c1nc(-c3ccccc3)o[n-]1)CCC2 ZINC000445602111 1028967300 /nfs/dbraw/zinc/96/73/00/1028967300.db2.gz SNTOKODYNVKWLK-QGZVFWFLSA-N -1 0 349.438 3.960 20 0 EHADRM CC(C)(C)NC(=O)C[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000634851512 1028995195 /nfs/dbraw/zinc/99/51/95/1028995195.db2.gz KDDLBJMIEQANNB-OAHLLOKOSA-N -1 0 332.227 3.641 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)NCCC(C)(C)C(=O)[O-])C2CC2)o1 ZINC000424397964 1029049797 /nfs/dbraw/zinc/04/97/97/1029049797.db2.gz LXHAVULQSKLQOE-DOMZBBRYSA-N -1 0 348.443 3.578 20 0 EHADRM CCN(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000424406824 1029053021 /nfs/dbraw/zinc/05/30/21/1029053021.db2.gz GRCHDYLAMJFRIK-DZGCQCFKSA-N -1 0 338.423 3.665 20 0 EHADRM CC[C@@H]1c2ccsc2CCN1C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000424406753 1029053440 /nfs/dbraw/zinc/05/34/40/1029053440.db2.gz GOXGYRVJXVVGOK-GXTWGEPZSA-N -1 0 338.473 3.514 20 0 EHADRM Cc1cc(Br)c(CN2CCC[C@H](C)[C@@H]2C(=O)[O-])s1 ZINC000424413819 1029057735 /nfs/dbraw/zinc/05/77/35/1029057735.db2.gz PRUSBVPXZRWHMI-QPUJVOFHSA-N -1 0 332.263 3.504 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)NCc2ccc(F)c(C)c2)s1 ZINC000503117198 1029064220 /nfs/dbraw/zinc/06/42/20/1029064220.db2.gz FKFDXIIPWCXAHH-UHFFFAOYSA-N -1 0 336.436 3.633 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CC[C@H]1c1ccc(Cl)cc1)C(=O)[O-] ZINC000424426653 1029068959 /nfs/dbraw/zinc/06/89/59/1029068959.db2.gz TYVJIINOIQCMBD-HIFRSBDPSA-N -1 0 338.835 3.543 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)C[C@@H](C)c1ccccc1F ZINC000237372530 1029087988 /nfs/dbraw/zinc/08/79/88/1029087988.db2.gz PIOOKRYFNWWSNT-KDOFPFPSSA-N -1 0 343.398 3.960 20 0 EHADRM O=S(=O)(NCC1(c2ccc(Cl)cc2)CCCC1)c1ccco1 ZINC000445744512 1029092240 /nfs/dbraw/zinc/09/22/40/1029092240.db2.gz VZYSBQJTJVDRDG-UHFFFAOYSA-N -1 0 339.844 3.723 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)C[C@@H](C)c1cccc(F)c1 ZINC000237398794 1029157307 /nfs/dbraw/zinc/15/73/07/1029157307.db2.gz IGYWZCVCFLATCL-RDTXWAMCSA-N -1 0 343.398 3.960 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 ZINC000237411426 1029182985 /nfs/dbraw/zinc/18/29/85/1029182985.db2.gz DKIZIAIVMDGFAU-ZJNQMXKESA-N -1 0 347.411 3.937 20 0 EHADRM CSCc1ccc(CNC(=O)c2cc(F)c(F)c([O-])c2F)cc1 ZINC000343106308 1029215412 /nfs/dbraw/zinc/21/54/12/1029215412.db2.gz MURACVDTDXFBEZ-UHFFFAOYSA-N -1 0 341.354 3.603 20 0 EHADRM O=C(c1ccc(F)cc1[O-])N1CCC(CCc2ccc(O)cc2)CC1 ZINC000533085485 1029308700 /nfs/dbraw/zinc/30/87/00/1029308700.db2.gz HACRRFYPDNGKAM-UHFFFAOYSA-N -1 0 343.398 3.722 20 0 EHADRM CCc1ccc(C(=O)N=c2nc(-c3sccc3C)[n-]s2)cc1 ZINC000472282857 1029434991 /nfs/dbraw/zinc/43/49/91/1029434991.db2.gz WNMNWKJGLHOYSO-UHFFFAOYSA-N -1 0 329.450 3.812 20 0 EHADRM O=S(=O)([N-]c1ccc(Oc2ccccn2)cc1)c1ccccc1F ZINC000505317206 1029463948 /nfs/dbraw/zinc/46/39/48/1029463948.db2.gz NOHPMLNNPSBKQD-UHFFFAOYSA-N -1 0 344.367 3.814 20 0 EHADRM CCc1oc(C(=O)N(C)[C@@H](C)c2cc(F)ccc2F)cc1C(=O)[O-] ZINC000261710526 1029486974 /nfs/dbraw/zinc/48/69/74/1029486974.db2.gz VFFPRNZDPQFALY-VIFPVBQESA-N -1 0 337.322 3.652 20 0 EHADRM CC(C)c1noc([C@@H](C)N2CCC(C(=O)c3ccc(O)cc3)CC2)n1 ZINC000078901012 1029498228 /nfs/dbraw/zinc/49/82/28/1029498228.db2.gz UWVLAUUDKMRAOZ-CYBMUJFWSA-N -1 0 343.427 3.555 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N(C)Cc2cc(C)cc(C)c2)s1 ZINC000434228463 1029517545 /nfs/dbraw/zinc/51/75/45/1029517545.db2.gz OWGBUECLKRJASE-UHFFFAOYSA-N -1 0 332.473 3.583 20 0 EHADRM CC[C@@H](CC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000262225641 1029573122 /nfs/dbraw/zinc/57/31/22/1029573122.db2.gz RRONECYWDMUMQK-HNAYVOBHSA-N -1 0 337.419 3.781 20 0 EHADRM C[C@@]1(C(=O)Nc2cc(Br)cc(Cl)c2[O-])CCCOC1 ZINC000272729501 1029585118 /nfs/dbraw/zinc/58/51/18/1029585118.db2.gz KODAVGMJMMWDFK-CYBMUJFWSA-N -1 0 348.624 3.563 20 0 EHADRM Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)cc1Cl ZINC000262807117 1029638003 /nfs/dbraw/zinc/63/80/03/1029638003.db2.gz DDWYHGSUDSKFTD-HOTGVXAUSA-N -1 0 343.810 3.589 20 0 EHADRM COc1c(Cl)cccc1NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000583324741 1029641641 /nfs/dbraw/zinc/64/16/41/1029641641.db2.gz JDQUVZKPSMVNKB-UHFFFAOYSA-N -1 0 325.792 3.568 20 0 EHADRM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000262833001 1029642090 /nfs/dbraw/zinc/64/20/90/1029642090.db2.gz BTJBBAQZGANKTF-OWSLCNJRSA-N -1 0 329.440 3.590 20 0 EHADRM CCCC[C@H](C)C(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC000262885524 1029648039 /nfs/dbraw/zinc/64/80/39/1029648039.db2.gz CNBXZXIKFRCYRF-HNNXBMFYSA-N -1 0 331.456 3.992 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000262925806 1029652125 /nfs/dbraw/zinc/65/21/25/1029652125.db2.gz JFZBJXPWVPJBLT-AEFFLSMTSA-N -1 0 331.456 3.891 20 0 EHADRM CCn1nc([N-]S(=O)(=O)c2cccc(C(F)F)c2)cc1C1CC1 ZINC000780395849 1029652063 /nfs/dbraw/zinc/65/20/63/1029652063.db2.gz MVFRYZHSYLHOOQ-UHFFFAOYSA-N -1 0 341.383 3.519 20 0 EHADRM CC(C)(C)c1ccccc1C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000262936954 1029652253 /nfs/dbraw/zinc/65/22/53/1029652253.db2.gz PMCGWCODENCXFZ-INIZCTEOSA-N -1 0 343.398 3.721 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000262995150 1029655794 /nfs/dbraw/zinc/65/57/94/1029655794.db2.gz VSOGHJQLPKEVLK-SJORKVTESA-N -1 0 343.810 3.589 20 0 EHADRM Cc1c(NC(=O)NC(C)(C)CCC(=O)[O-])noc1-c1ccccc1F ZINC000263034751 1029658860 /nfs/dbraw/zinc/65/88/60/1029658860.db2.gz KYRRWXFDLYDKMR-UHFFFAOYSA-N -1 0 349.362 3.554 20 0 EHADRM Cc1cc(NC(=O)N(C)C[C@H](C)C(=O)[O-])ccc1-c1ccccc1 ZINC000263061414 1029661604 /nfs/dbraw/zinc/66/16/04/1029661604.db2.gz OPIWBYONWFHIPR-AWEZNQCLSA-N -1 0 326.396 3.846 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)c1cc2ccccc2cc1OC(F)F ZINC000263059676 1029661877 /nfs/dbraw/zinc/66/18/77/1029661877.db2.gz XCTOVWDQAMVWMT-ZDUSSCGKSA-N -1 0 349.333 3.521 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)Nc2ncc(C3CCCCC3)s2)C1 ZINC000263069361 1029663206 /nfs/dbraw/zinc/66/32/06/1029663206.db2.gz PTKOWPHWIOHYGO-LBPRGKRZSA-N -1 0 337.445 3.519 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)CC(C)(C)C(F)(F)F)c1ccccc1 ZINC000263097039 1029666371 /nfs/dbraw/zinc/66/63/71/1029666371.db2.gz ILIXPZSYBHNVNP-MFKMUULPSA-N -1 0 331.334 3.543 20 0 EHADRM COCc1cc(NC(=O)[C@H](C)OC2CCCCCC2)cc(C(=O)[O-])c1 ZINC000263102643 1029667920 /nfs/dbraw/zinc/66/79/20/1029667920.db2.gz OLWNQPMKWVLNIF-ZDUSSCGKSA-N -1 0 349.427 3.598 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])s1 ZINC000263146942 1029669154 /nfs/dbraw/zinc/66/91/54/1029669154.db2.gz HEHYYRZJRHFTLL-ZDUSSCGKSA-N -1 0 335.450 3.633 20 0 EHADRM Cc1cc(C(=O)N[C@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])c(C)o1 ZINC000263190469 1029672524 /nfs/dbraw/zinc/67/25/24/1029672524.db2.gz XRIHUQNYHUBEGT-MAUKXSAKSA-N -1 0 341.407 3.590 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N(CCc2ccccc2)c2ccccc2)C1 ZINC000263196601 1029673062 /nfs/dbraw/zinc/67/30/62/1029673062.db2.gz JGZJFJOHGNSLIQ-ZWKOTPCHSA-N -1 0 337.419 3.763 20 0 EHADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000263208551 1029673881 /nfs/dbraw/zinc/67/38/81/1029673881.db2.gz ZJIXCEPLGDSCOU-JQWIXIFHSA-N -1 0 344.238 3.638 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000263212900 1029674863 /nfs/dbraw/zinc/67/48/63/1029674863.db2.gz NSCVCAPAXQEOID-CHWSQXEVSA-N -1 0 333.384 3.565 20 0 EHADRM CC[C@]1(C)C[C@@H]1C(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC000263246995 1029680257 /nfs/dbraw/zinc/68/02/57/1029680257.db2.gz UTODGUABYZBJMU-FZKQIMNGSA-N -1 0 344.436 3.561 20 0 EHADRM CCC(C)(C)C(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC000263281937 1029683541 /nfs/dbraw/zinc/68/35/41/1029683541.db2.gz YSEXYODECBBSDG-UHFFFAOYSA-N -1 0 332.425 3.561 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)NCc1ccc(C(=O)[O-])s1 ZINC000263297566 1029684699 /nfs/dbraw/zinc/68/46/99/1029684699.db2.gz ZRYWZNGGHRBJMX-LBPRGKRZSA-N -1 0 347.436 3.655 20 0 EHADRM C[C@@H](C(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000263309594 1029686257 /nfs/dbraw/zinc/68/62/57/1029686257.db2.gz HVDBGWLKWWKOGK-SCVCMEIPSA-N -1 0 344.238 3.809 20 0 EHADRM COc1ccc(CCCCCC(=O)N2CCC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000263320211 1029687605 /nfs/dbraw/zinc/68/76/05/1029687605.db2.gz NHZUHUZXDAWNDP-HXUWFJFHSA-N -1 0 347.455 3.511 20 0 EHADRM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Cc2ccc(C(=O)[O-])cc2)o1 ZINC000263327551 1029688774 /nfs/dbraw/zinc/68/87/74/1029688774.db2.gz LASDLECUQOPIDQ-SUMWQHHRSA-N -1 0 341.407 3.829 20 0 EHADRM COc1c(Cl)cc(Cl)cc1CN1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000263363189 1029691387 /nfs/dbraw/zinc/69/13/87/1029691387.db2.gz SMEJWNYZXKRMGX-NXEZZACHSA-N -1 0 332.227 3.687 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N2CCC[C@@H](c3ccccc3)CC2)cc1 ZINC000263365629 1029691461 /nfs/dbraw/zinc/69/14/61/1029691461.db2.gz VXTZJJDJTILJQT-GOSISDBHSA-N -1 0 337.419 3.724 20 0 EHADRM O=C([O-])c1ccc(C[NH2+]Cc2ccnc(OC3CCCCC3)c2)cc1 ZINC000263383581 1029693427 /nfs/dbraw/zinc/69/34/27/1029693427.db2.gz CJHWJCMBIKEVDC-UHFFFAOYSA-N -1 0 340.423 3.781 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)c1cc(Cl)ccc1OC1CCCC1 ZINC000263430673 1029696468 /nfs/dbraw/zinc/69/64/68/1029696468.db2.gz KOBMRVUUDFMNGN-MNOVXSKESA-N -1 0 339.819 3.500 20 0 EHADRM C[C@H](NC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccc(F)c2ccccc21 ZINC000263432204 1029698187 /nfs/dbraw/zinc/69/81/87/1029698187.db2.gz ZBXYMQXBAGKWNG-HXPMCKFVSA-N -1 0 344.386 3.546 20 0 EHADRM Cc1c(Cl)cc(NC(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1Cl ZINC000263458136 1029701202 /nfs/dbraw/zinc/70/12/02/1029701202.db2.gz CRFPYQVQZOPLBA-AWEZNQCLSA-N -1 0 331.199 3.630 20 0 EHADRM C[C@@H](CN(C)C(=O)Nc1ccccc1SC1CCCC1)C(=O)[O-] ZINC000263482324 1029702996 /nfs/dbraw/zinc/70/29/96/1029702996.db2.gz LIIVNXNIXWYGNR-LBPRGKRZSA-N -1 0 336.457 3.906 20 0 EHADRM O=C([O-])CCc1cccc(NCc2ccc(OCC(F)F)cc2)c1 ZINC000263518268 1029707071 /nfs/dbraw/zinc/70/70/71/1029707071.db2.gz PTBXHRKXTSEFAR-UHFFFAOYSA-N -1 0 335.350 3.960 20 0 EHADRM CCOc1ccc(NC(=O)N([C@@H](C)C(=O)[O-])C2CCC2)cc1Cl ZINC000583359657 1029709169 /nfs/dbraw/zinc/70/91/69/1029709169.db2.gz CPGOKYCVPSAWAR-JTQLQIEISA-N -1 0 340.807 3.598 20 0 EHADRM CC[C@H](NC(=O)Cc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000347388111 1029721646 /nfs/dbraw/zinc/72/16/46/1029721646.db2.gz NTGIEZCJBVZNDA-INIZCTEOSA-N -1 0 331.799 3.848 20 0 EHADRM C[C@@H]1CCCCCN1C(=O)N=c1[n-]nc(/C=C\c2ccco2)s1 ZINC000343210587 1029768140 /nfs/dbraw/zinc/76/81/40/1029768140.db2.gz CNDMGUROMMJRQD-JLVNDZCYSA-N -1 0 332.429 3.520 20 0 EHADRM O=S(=O)(Cc1ccccc1Cl)[N-]c1nccc2sccc21 ZINC000446760296 1029792383 /nfs/dbraw/zinc/79/23/83/1029792383.db2.gz FUZGAKLFIMPJMI-UHFFFAOYSA-N -1 0 338.841 3.892 20 0 EHADRM CCCCS[C@@H](C)C(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000472288527 1029858903 /nfs/dbraw/zinc/85/89/03/1029858903.db2.gz TVPJTLCSJUSQKZ-JTQLQIEISA-N -1 0 341.527 3.857 20 0 EHADRM Cc1cc(C)nc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000446970056 1029875668 /nfs/dbraw/zinc/87/56/68/1029875668.db2.gz VAFNGSVRSZXXML-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@@H](C)c2ccc(OC(F)(F)F)cc2)s[n-]1 ZINC000509648811 1029943916 /nfs/dbraw/zinc/94/39/16/1029943916.db2.gz KPDWVFLGTFPESL-IUCAKERBSA-N -1 0 347.362 3.739 20 0 EHADRM Cc1ccc(C)c(CN(C)C(=O)N=c2ccc(-c3ccccc3)n[n-]2)c1 ZINC000429760476 1029964659 /nfs/dbraw/zinc/96/46/59/1029964659.db2.gz BKWLVWTVISVNNE-UHFFFAOYSA-N -1 0 346.434 3.846 20 0 EHADRM Cc1cc(=NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)[n-]nc1C ZINC000525661772 1030005672 /nfs/dbraw/zinc/00/56/72/1030005672.db2.gz CLXPBAPSYQIKSJ-KBPBESRZSA-N -1 0 336.222 3.564 20 0 EHADRM O=C(Nc1cccc(-n2ccnn2)c1)c1c([O-])cc(Cl)cc1Cl ZINC000120580215 1030067288 /nfs/dbraw/zinc/06/72/88/1030067288.db2.gz XQFIJCPZSIXXNS-UHFFFAOYSA-N -1 0 349.177 3.532 20 0 EHADRM O=S(=O)([N-]c1cccc(-c2cn[nH]c2)c1)c1ccc(Cl)s1 ZINC000090166697 1030076785 /nfs/dbraw/zinc/07/67/85/1030076785.db2.gz VHQJTFPNYFZRIL-UHFFFAOYSA-N -1 0 339.829 3.592 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N(C)[C@H](C)C(C)C)s2)c1 ZINC000481975151 1030140375 /nfs/dbraw/zinc/14/03/75/1030140375.db2.gz FPLVLWVQVDXBPE-CYBMUJFWSA-N -1 0 332.473 3.752 20 0 EHADRM Cc1ccc2cccc([N-]S(=O)(=O)c3ccc(Cl)nc3C)c2n1 ZINC000323635922 1030146282 /nfs/dbraw/zinc/14/62/82/1030146282.db2.gz RKAKZADQJWYSHM-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM Cc1ccc2cc(S(=O)(=O)[N-]c3cc(C4CC4)n(C)n3)ccc2c1 ZINC000583605941 1030265721 /nfs/dbraw/zinc/26/57/21/1030265721.db2.gz LZUCDHZHDQKATN-UHFFFAOYSA-N -1 0 341.436 3.560 20 0 EHADRM COc1ccc(Cn2nccc2Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC001211594322 1030478220 /nfs/dbraw/zinc/47/82/20/1030478220.db2.gz SBTQACQATVMJGX-UHFFFAOYSA-N -1 0 337.379 3.690 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2ccccc2F)ccc1C(F)(F)F ZINC000447784055 1030487879 /nfs/dbraw/zinc/48/78/79/1030487879.db2.gz YEOPXXCDJYXOEI-UHFFFAOYSA-N -1 0 349.305 3.654 20 0 EHADRM Cc1ccc(Nc2ncc(F)cc2Br)cc1C(=O)[O-] ZINC001211594235 1030488554 /nfs/dbraw/zinc/48/85/54/1030488554.db2.gz QBNXWTCUQUOSCT-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM Cc1cccc(C)c1[N-]S(=O)(=O)c1c(C)ccc2cccnc21 ZINC000476601992 1030513138 /nfs/dbraw/zinc/51/31/38/1030513138.db2.gz SKYSIGLSANTFID-UHFFFAOYSA-N -1 0 326.421 3.961 20 0 EHADRM C[C@@H](CNC(=O)N=c1nc(-c2ccsc2)[n-]s1)c1ccccc1 ZINC000448001296 1030650741 /nfs/dbraw/zinc/65/07/41/1030650741.db2.gz QCVXGWXZSAOGFC-NSHDSACASA-N -1 0 344.465 3.614 20 0 EHADRM CSc1ccc(O)c(C(=O)N[C@@H](C)[C@@H]2OCCc3sccc32)c1 ZINC000615207066 1030721928 /nfs/dbraw/zinc/72/19/28/1030721928.db2.gz IPPNTAUJQDGRTC-QFYYESIMSA-N -1 0 349.477 3.608 20 0 EHADRM O=C(Nc1cc(F)c(F)cc1F)c1ccc(Br)cc1[O-] ZINC000061094624 1030735687 /nfs/dbraw/zinc/73/56/87/1030735687.db2.gz AFZYESZRVJDCER-UHFFFAOYSA-N -1 0 346.102 3.824 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N(C2CCC2)C2CCC2)n1 ZINC000615206335 1030738717 /nfs/dbraw/zinc/73/87/17/1030738717.db2.gz SYIKXLVMLDASMR-UHFFFAOYSA-N -1 0 339.439 3.688 20 0 EHADRM C[C@@H]1CN(C(=O)c2cccc(Nc3ccccc3)c2)CC[C@H]1C(=O)[O-] ZINC000902166624 1030824971 /nfs/dbraw/zinc/82/49/71/1030824971.db2.gz AHXADVVZXRCXTF-RDTXWAMCSA-N -1 0 338.407 3.613 20 0 EHADRM Cc1cccc(S([O-])=CC(=O)NCCc2ccc(C(C)C)cc2)c1 ZINC000194534051 1030842369 /nfs/dbraw/zinc/84/23/69/1030842369.db2.gz WCXDUQBLQAMASB-XMMPIXPASA-N -1 0 343.492 3.585 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N3CC[C@H](C(=O)[O-])[C@@H](C)C3)o2)cc1 ZINC000262816731 1030923609 /nfs/dbraw/zinc/92/36/09/1030923609.db2.gz BILANCHVVADOGG-BBRMVZONSA-N -1 0 341.407 3.692 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)N2CCC[C@H](C3CC3)C2)s[n-]1 ZINC000329494344 1030943506 /nfs/dbraw/zinc/94/35/06/1030943506.db2.gz DDASYKMGRDSUCI-LBPRGKRZSA-N -1 0 348.497 3.651 20 0 EHADRM CC(C)[C@H](C)N(C(=O)c1cccc(Br)c1[O-])C1CC1 ZINC000537640581 1030967743 /nfs/dbraw/zinc/96/77/43/1030967743.db2.gz AKEJDZTVQVYUGV-JTQLQIEISA-N -1 0 326.234 3.804 20 0 EHADRM Cn1ccc2ccc([N-]S(=O)(=O)c3cccc4cccnc43)cc21 ZINC000172888505 1031026585 /nfs/dbraw/zinc/02/65/85/1031026585.db2.gz ZJZWTVCRRNKQIL-UHFFFAOYSA-N -1 0 337.404 3.527 20 0 EHADRM CC(=CC(=O)[N-]S(=O)(=O)Cc1ccccc1)c1ccc(F)cc1 ZINC000065644823 1031166835 /nfs/dbraw/zinc/16/68/35/1031166835.db2.gz HDWFDFHWFFISDT-QBFSEMIESA-N -1 0 333.384 3.716 20 0 EHADRM CO[C@H](c1ccccc1Cl)[C@H](C)N=c1[n-]nc(C(C)C)s1 ZINC000477045347 1031211834 /nfs/dbraw/zinc/21/18/34/1031211834.db2.gz IKSXPGSLYPIPLU-GWCFXTLKSA-N -1 0 325.865 3.925 20 0 EHADRM Cc1ccc(F)cc1CN=c1[n-]nc(-c2cccc(OC(F)F)c2)o1 ZINC000551335369 1031232658 /nfs/dbraw/zinc/23/26/58/1031232658.db2.gz CTAPMHAYADFUHG-UHFFFAOYSA-N -1 0 349.312 3.820 20 0 EHADRM Cc1cccc(CCC(=O)N[C@H](CC(=O)[O-])c2ccccc2C)c1 ZINC000237626273 1031244972 /nfs/dbraw/zinc/24/49/72/1031244972.db2.gz XSRSJKVXNDAPIJ-GOSISDBHSA-N -1 0 325.408 3.568 20 0 EHADRM CCCCOc1ccc(NC(=O)c2ccc3oc(=O)nc-3[n-]2)c(C)c1 ZINC000666980205 1031272076 /nfs/dbraw/zinc/27/20/76/1031272076.db2.gz RHBQFXYGPNDPKQ-UHFFFAOYSA-N -1 0 341.367 3.668 20 0 EHADRM O=C(NCCCc1cccc(F)c1)c1cc(F)c([O-])c(Cl)c1 ZINC000194662027 1031320002 /nfs/dbraw/zinc/32/00/02/1031320002.db2.gz MANWQOSLVUHOGN-UHFFFAOYSA-N -1 0 325.742 3.686 20 0 EHADRM Cc1cc(Cl)cc(C(=O)N=c2nc(-c3ccsc3)[n-]s2)c1 ZINC000477200962 1031333767 /nfs/dbraw/zinc/33/37/67/1031333767.db2.gz AHTRYXIXFRLSFT-UHFFFAOYSA-N -1 0 335.841 3.903 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)C(C2CCC2)C2CCC2)sc1C(=O)[O-] ZINC000668282415 1031390237 /nfs/dbraw/zinc/39/02/37/1031390237.db2.gz RVEAMBYSDVPTGZ-SNVBAGLBSA-N -1 0 336.457 3.543 20 0 EHADRM COC[C@@H](N=c1nc(-c2ccccc2C)[n-]s1)c1ccc(C)o1 ZINC000527910705 1031441261 /nfs/dbraw/zinc/44/12/61/1031441261.db2.gz GMIQYVVOVSICJY-CQSZACIVSA-N -1 0 329.425 3.636 20 0 EHADRM C[C@@H]1CCC[C@@H](C)N(C(=O)N=c2[n-]nc(/C=C\c3ccco3)s2)C1 ZINC000484092915 1031453339 /nfs/dbraw/zinc/45/33/39/1031453339.db2.gz BUIYFGUBXCCTEZ-WACGGTQYSA-N -1 0 346.456 3.766 20 0 EHADRM Cc1ccc(C(C)(C)CC(=O)N=c2ccc(C(F)(F)F)n[n-]2)cc1 ZINC000484133369 1031475208 /nfs/dbraw/zinc/47/52/08/1031475208.db2.gz PSWGCZJJKJIXDV-UHFFFAOYSA-N -1 0 337.345 3.532 20 0 EHADRM Cc1ccccc1-c1nc(=NC[C@]2(C)CCO[C@@H]2C2CC2)s[n-]1 ZINC000527962723 1031530484 /nfs/dbraw/zinc/53/04/84/1031530484.db2.gz BOIUEFFAXWEUAN-QAPCUYQASA-N -1 0 329.469 3.553 20 0 EHADRM C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000194870733 1031580022 /nfs/dbraw/zinc/58/00/22/1031580022.db2.gz QMKNBYKDGCYRTD-JTQLQIEISA-N -1 0 337.778 3.594 20 0 EHADRM CC[C@H](Cc1ccc(NCc2c(C3CC3)cnn2C)cc1)C(=O)[O-] ZINC000904015186 1031601717 /nfs/dbraw/zinc/60/17/17/1031601717.db2.gz IAQXYPVYAIGRCI-CQSZACIVSA-N -1 0 327.428 3.563 20 0 EHADRM CC(C)(C)c1cnc(CN[C@H](CC(=O)[O-])c2ccccc2F)s1 ZINC000904045982 1031667357 /nfs/dbraw/zinc/66/73/57/1031667357.db2.gz TVAURXOANOAAPU-CYBMUJFWSA-N -1 0 336.432 3.885 20 0 EHADRM CCc1ccccc1[C@H](CC(=O)[O-])NCc1nc2cc(F)ccc2o1 ZINC000904026866 1031673087 /nfs/dbraw/zinc/67/30/87/1031673087.db2.gz NCKXPSGSPYQXBA-HNNXBMFYSA-N -1 0 342.370 3.835 20 0 EHADRM CC[C@H](NCc1cc(Cl)ccc1Cl)c1nc(C(=O)[O-])c[nH]1 ZINC000904066154 1031691665 /nfs/dbraw/zinc/69/16/65/1031691665.db2.gz YZYPYUKNQFQLNM-NSHDSACASA-N -1 0 328.199 3.656 20 0 EHADRM Cc1oc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)nc1C1CC1 ZINC000584094574 1031703386 /nfs/dbraw/zinc/70/33/86/1031703386.db2.gz OPGHPSOWJSJROW-UHFFFAOYSA-N -1 0 346.330 3.680 20 0 EHADRM CO[C@@H](C)c1nc(=NCc2ccccc2OC2CCCC2)s[n-]1 ZINC000509662699 1031720382 /nfs/dbraw/zinc/72/03/82/1031720382.db2.gz ADMSSCFKVJZEIG-LBPRGKRZSA-N -1 0 333.457 3.601 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)cc1 ZINC000584115637 1031746892 /nfs/dbraw/zinc/74/68/92/1031746892.db2.gz OOGSYRBWCNZLHI-JTTZZOPQSA-N -1 0 329.440 3.783 20 0 EHADRM CC[C@@H](CCc1ccccc1)N=c1[n-]nc(C2CCOCC2)s1 ZINC000528124568 1031772702 /nfs/dbraw/zinc/77/27/02/1031772702.db2.gz GDLJPMWVSVCRLN-INIZCTEOSA-N -1 0 331.485 3.677 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)c(F)c1 ZINC000261862794 1031827687 /nfs/dbraw/zinc/82/76/87/1031827687.db2.gz KOGBXRUMKZPBMO-VHSXEESVSA-N -1 0 333.281 3.831 20 0 EHADRM CC(C)c1nc2cc(N[C@@H]3C[C@H](NC(=O)[O-])C34CCC4)ccc2o1 ZINC000904210877 1031835023 /nfs/dbraw/zinc/83/50/23/1031835023.db2.gz AINGSXCIQZBVRX-CABCVRRESA-N -1 0 329.400 3.942 20 0 EHADRM CCS[C@H]1CC[C@@H](N(C)C(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000180091299 1031839828 /nfs/dbraw/zinc/83/98/28/1031839828.db2.gz YSPOMCQDWQHVOK-BDAKNGLRSA-N -1 0 333.375 3.556 20 0 EHADRM Cc1cc(F)ccc1NCc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904199211 1031845836 /nfs/dbraw/zinc/84/58/36/1031845836.db2.gz NGUUPDBWGQGZSX-UHFFFAOYSA-N -1 0 332.375 3.640 20 0 EHADRM O=C([O-])N[C@@H]1C[C@@H](Nc2cccc(C3CCOCC3)c2)C12CCC2 ZINC000904252524 1031875216 /nfs/dbraw/zinc/87/52/16/1031875216.db2.gz BRZAWKKZYAFJAE-IAGOWNOFSA-N -1 0 330.428 3.571 20 0 EHADRM CC(C)Oc1cccc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000666107886 1031893340 /nfs/dbraw/zinc/89/33/40/1031893340.db2.gz HRQCIFCPRAAVED-KRWDZBQOSA-N -1 0 327.380 3.671 20 0 EHADRM CCC(CC)(CC(=O)Nc1ccc(C(C)=O)c(Cl)c1)C(=O)[O-] ZINC000180920584 1031925033 /nfs/dbraw/zinc/92/50/33/1031925033.db2.gz NKIVAUOTFQJQIN-UHFFFAOYSA-N -1 0 325.792 3.762 20 0 EHADRM CCSCc1ccnc([N-]S(=O)(=O)c2cccc(C)c2F)c1 ZINC000181059063 1031940622 /nfs/dbraw/zinc/94/06/22/1031940622.db2.gz VUFJYXWPPRMXDI-UHFFFAOYSA-N -1 0 340.445 3.583 20 0 EHADRM COC(=O)c1oc([C@@H](C)Sc2nc(C3CC3)cc(=O)[nH]2)cc1C ZINC000195081643 1032025562 /nfs/dbraw/zinc/02/55/62/1032025562.db2.gz YHWBVVSYUUZWBX-SECBINFHSA-N -1 0 334.397 3.601 20 0 EHADRM CC(C)(C(=O)N=c1ccc(C2CC2)n[n-]1)c1ccc2ccccc2c1 ZINC000607833222 1033325844 /nfs/dbraw/zinc/32/58/44/1033325844.db2.gz YSYJVRWENIUYDG-UHFFFAOYSA-N -1 0 331.419 3.845 20 0 EHADRM C[C@H]1CCCCCN1C(=O)c1cc(Br)c(F)cc1[O-] ZINC000449902879 1033402344 /nfs/dbraw/zinc/40/23/44/1033402344.db2.gz RBPOPFHXWYOHRY-VIFPVBQESA-N -1 0 330.197 3.699 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)c1cccc(Oc2nccs2)c1 ZINC000659781289 1033446762 /nfs/dbraw/zinc/44/67/62/1033446762.db2.gz GZBNEWQMOHQODB-UHFFFAOYSA-N -1 0 348.424 3.508 20 0 EHADRM CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000105389502 1033454063 /nfs/dbraw/zinc/45/40/63/1033454063.db2.gz GHHASTSLDFGOMG-UHFFFAOYSA-N -1 0 341.816 3.548 20 0 EHADRM C[C@@H]1C[C@@H]1c1nc(=O)c2sc(-c3ccc4c(c3)OCCO4)cc2[n-]1 ZINC000608102990 1033495814 /nfs/dbraw/zinc/49/58/14/1033495814.db2.gz UWDFVCMQDXMJMI-KOLCDFICSA-N -1 0 340.404 3.546 20 0 EHADRM CC1(C)CCC(NC(=O)N=c2[n-]nc(Cc3ccccc3)s2)CC1 ZINC000608263522 1033558417 /nfs/dbraw/zinc/55/84/17/1033558417.db2.gz INLXRNHSOLSGKC-UHFFFAOYSA-N -1 0 344.484 3.641 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N[C@H]2C[C@]2(C)c2ccccc2)s1 ZINC000608269448 1033563481 /nfs/dbraw/zinc/56/34/81/1033563481.db2.gz PESDNXPQMUXFIX-KBXCAEBGSA-N -1 0 344.484 3.715 20 0 EHADRM CC(C)Oc1ccc(=NC(=O)N(C)[C@@H](C)c2ccccc2Cl)[n-]n1 ZINC000476358110 1033565886 /nfs/dbraw/zinc/56/58/86/1033565886.db2.gz YYXHAOGJMCVXBV-LBPRGKRZSA-N -1 0 348.834 3.564 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(CCC(C)C)C2CC2)n1 ZINC000080467827 1033600093 /nfs/dbraw/zinc/60/00/93/1033600093.db2.gz IUHXWQGMYLPOQN-UHFFFAOYSA-N -1 0 345.418 3.676 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)F)c1 ZINC000179760840 1033625560 /nfs/dbraw/zinc/62/55/60/1033625560.db2.gz UDSRIYGGARRTEV-UHFFFAOYSA-N -1 0 345.342 3.579 20 0 EHADRM CC(C)(CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1F)C(=O)[O-] ZINC000574939900 1033758008 /nfs/dbraw/zinc/75/80/08/1033758008.db2.gz KIVDFNCISVCHJH-KRWDZBQOSA-N -1 0 343.398 3.727 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2OC(F)F)cc(C)c1F ZINC000460434524 1033882067 /nfs/dbraw/zinc/88/20/67/1033882067.db2.gz GTCRLAJJJWIQQI-UHFFFAOYSA-N -1 0 345.342 3.845 20 0 EHADRM Cc1cccc(C)c1NC(=S)[N-]c1ccccc1SCC(N)=O ZINC000061251113 1033896650 /nfs/dbraw/zinc/89/66/50/1033896650.db2.gz YONWBSKIPVZGAE-UHFFFAOYSA-N -1 0 345.493 3.690 20 0 EHADRM CCc1cccc(OCC(=O)[N-]S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000046929875 1033900041 /nfs/dbraw/zinc/90/00/41/1033900041.db2.gz KWXWOWNMLLYDDU-UHFFFAOYSA-N -1 0 347.436 3.590 20 0 EHADRM CCC[C@H](C)[C@H]1CCCN1C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000550711810 1033905309 /nfs/dbraw/zinc/90/53/09/1033905309.db2.gz BDECYNYJFWIANS-XJKSGUPXSA-N -1 0 345.418 3.758 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Nc1ccc2ncsc2c1 ZINC000322869887 1034022238 /nfs/dbraw/zinc/02/22/38/1034022238.db2.gz POTHUDJMRUQSEA-GFCCVEGCSA-N -1 0 333.413 3.548 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000255670134 1034091609 /nfs/dbraw/zinc/09/16/09/1034091609.db2.gz SYMIQGNFZODFJI-PGJNLMOESA-N -1 0 327.355 3.741 20 0 EHADRM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccccc2OC)cc1 ZINC000057123694 1034094993 /nfs/dbraw/zinc/09/49/93/1034094993.db2.gz KTAFRTRZAIHQCZ-ZDUSSCGKSA-N -1 0 335.425 3.673 20 0 EHADRM O=C(Nc1ccccc1OCC(F)(F)F)c1c([O-])cccc1F ZINC000119211813 1034113104 /nfs/dbraw/zinc/11/31/04/1034113104.db2.gz MSUZLOQOQOAEKV-UHFFFAOYSA-N -1 0 329.249 3.725 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)cc2C1 ZINC000323054282 1034124165 /nfs/dbraw/zinc/12/41/65/1034124165.db2.gz HPODKEGVNDYZMD-SECBINFHSA-N -1 0 333.384 3.963 20 0 EHADRM Cc1ccc(F)cc1[N-]S(=O)(=O)c1c(C)ccc2cccnc21 ZINC000476520448 1034188218 /nfs/dbraw/zinc/18/82/18/1034188218.db2.gz ZSOCDJUXQQJLCM-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM C[C@@H](C(=O)Nc1cc(Br)cc(Cl)c1[O-])C(F)(F)F ZINC000534206264 1034233228 /nfs/dbraw/zinc/23/32/28/1034233228.db2.gz AODJYDWGGOKVKG-BYPYZUCNSA-N -1 0 346.530 3.945 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cccn2Cc2ccccc2)ccc1F ZINC000310367124 1034420237 /nfs/dbraw/zinc/42/02/37/1034420237.db2.gz DZJLQNOWSMZBCL-UHFFFAOYSA-N -1 0 338.338 3.626 20 0 EHADRM Cc1cccc(C2(C(=O)N=c3nc(-c4ccsc4)[n-]s3)CC2)c1 ZINC000596903734 1034447922 /nfs/dbraw/zinc/44/79/22/1034447922.db2.gz CASMAGFKYHPIRL-UHFFFAOYSA-N -1 0 341.461 3.667 20 0 EHADRM CC(C)COc1ccccc1C/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000060421288 1034506451 /nfs/dbraw/zinc/50/64/51/1034506451.db2.gz USZLEBLPJJASKT-YBFXNURJSA-N -1 0 328.368 3.954 20 0 EHADRM C[C@@H](N=c1[n-]nc(Cc2ccc(Cl)cc2)s1)c1ccncc1F ZINC000509449954 1034519850 /nfs/dbraw/zinc/51/98/50/1034519850.db2.gz DRQNWPXQDUWGQT-SNVBAGLBSA-N -1 0 348.834 3.911 20 0 EHADRM CC(C)COc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cn1 ZINC000604856392 1034527680 /nfs/dbraw/zinc/52/76/80/1034527680.db2.gz NEWDHFATDBTOMD-UHFFFAOYSA-N -1 0 340.832 3.571 20 0 EHADRM CC(C)COc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cn1 ZINC000604856679 1034528049 /nfs/dbraw/zinc/52/80/49/1034528049.db2.gz ZSXIYCKQDXVXOQ-UHFFFAOYSA-N -1 0 346.861 3.632 20 0 EHADRM CC1(C(=O)[O-])CCN(c2ccnc3c(Br)cccc23)CC1 ZINC000647457844 1034593339 /nfs/dbraw/zinc/59/33/39/1034593339.db2.gz CDDWTJHLIZQTMB-UHFFFAOYSA-N -1 0 349.228 3.688 20 0 EHADRM O=C(N=c1nc(-c2ccsc2)[n-]s1)c1cc2occc2s1 ZINC000605465559 1034748480 /nfs/dbraw/zinc/74/84/80/1034748480.db2.gz JUSLIJSQSYDDRB-UHFFFAOYSA-N -1 0 333.419 3.749 20 0 EHADRM O=C(Nc1cccc(C2CCOCC2)c1)c1s[n-]c(=O)c1Cl ZINC000529936931 1034767069 /nfs/dbraw/zinc/76/70/69/1034767069.db2.gz PULIHDQTGUSEFK-UHFFFAOYSA-N -1 0 338.816 3.648 20 0 EHADRM Cc1cc(C)cc(Oc2ccc([N-]S(=O)(=O)c3c[nH]cn3)cc2)c1 ZINC000605654283 1034810784 /nfs/dbraw/zinc/81/07/84/1034810784.db2.gz BAOWWWJKAIZNRG-UHFFFAOYSA-N -1 0 343.408 3.620 20 0 EHADRM COc1cc([C@@H](C)N=c2[n-]c(C(C)C)no2)ccc1OCC(C)C ZINC000605691108 1034819669 /nfs/dbraw/zinc/81/96/69/1034819669.db2.gz BMLVTEBERRGMBJ-CYBMUJFWSA-N -1 0 333.432 3.831 20 0 EHADRM CC(C)(c1n[n-]c(=NC(=O)N[C@@H]2CC=CCC2)s1)c1ccccc1 ZINC000605923746 1034847294 /nfs/dbraw/zinc/84/72/94/1034847294.db2.gz LMODVLPBLPTYTF-CQSZACIVSA-N -1 0 342.468 3.516 20 0 EHADRM Cc1ccc(-c2ccncc2)cc1NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-] ZINC000601980994 1034847740 /nfs/dbraw/zinc/84/77/40/1034847740.db2.gz DFQHHISNJYTRGI-CHWSQXEVSA-N -1 0 344.436 3.590 20 0 EHADRM CC(C)(C)c1cnc(CN2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])o1 ZINC000569942962 1034899179 /nfs/dbraw/zinc/89/91/79/1034899179.db2.gz IGWGRISWOQKLHJ-GJZGRUSLSA-N -1 0 334.460 3.828 20 0 EHADRM Cc1cc(Cl)cc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000431658355 1034989657 /nfs/dbraw/zinc/98/96/57/1034989657.db2.gz NZHNDDIUJHOXJE-BLLLJJGKSA-N -1 0 331.799 3.840 20 0 EHADRM O=C([O-])[C@H]1c2ccoc2CCN1Cc1csc(-c2cccs2)n1 ZINC000530171671 1035041920 /nfs/dbraw/zinc/04/19/20/1035041920.db2.gz ZFGDTBXPCWBDDL-CQSZACIVSA-N -1 0 346.433 3.649 20 0 EHADRM Cc1cc(NC(=O)c2noc3c2CCCCC3)cc(C(=O)[O-])c1C ZINC000431663475 1035124068 /nfs/dbraw/zinc/12/40/68/1035124068.db2.gz INCCZDCZHCNFPT-UHFFFAOYSA-N -1 0 328.368 3.511 20 0 EHADRM COc1ccccc1[C@@H](CN=c1[n-]nc(C(C)C)s1)OC(C)C ZINC000472454251 1035136825 /nfs/dbraw/zinc/13/68/25/1035136825.db2.gz IELMROQFXJOECX-OAHLLOKOSA-N -1 0 335.473 3.670 20 0 EHADRM CSCc1ccccc1NC(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC000612652762 1035137621 /nfs/dbraw/zinc/13/76/21/1035137621.db2.gz CWQPTPNWUIKSEX-HNNXBMFYSA-N -1 0 329.421 3.747 20 0 EHADRM O=S(=O)([N-]c1ccc(Oc2cccnc2)cc1)c1ccccc1F ZINC000570478795 1035281607 /nfs/dbraw/zinc/28/16/07/1035281607.db2.gz RRYBWVBGPVOHDR-UHFFFAOYSA-N -1 0 344.367 3.814 20 0 EHADRM Cc1nc(C(=O)Nc2cccc(CC(=O)[O-])c2)c(-c2ccccc2)o1 ZINC000431767928 1035450295 /nfs/dbraw/zinc/45/02/95/1035450295.db2.gz BWCKYLDHMXDPFS-UHFFFAOYSA-N -1 0 336.347 3.529 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccccc2OCCF)CCCCCC1 ZINC000414080531 1035452980 /nfs/dbraw/zinc/45/29/80/1035452980.db2.gz ADDKVVDOBAWJMC-UHFFFAOYSA-N -1 0 337.391 3.789 20 0 EHADRM O=C([O-])CC1(CC(=O)NC[C@H]2CSc3ccccc32)CCCCC1 ZINC000414086543 1035469430 /nfs/dbraw/zinc/46/94/30/1035469430.db2.gz HUXQJUYOERHCHD-AWEZNQCLSA-N -1 0 347.480 3.807 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1cc(C)c2ccccc2n1 ZINC000431777889 1035470969 /nfs/dbraw/zinc/47/09/69/1035470969.db2.gz DRSHKOLIZAHMJI-GOSISDBHSA-N -1 0 348.402 3.797 20 0 EHADRM Cc1cc(C)c(CC(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)c(C)c1 ZINC000431777410 1035471650 /nfs/dbraw/zinc/47/16/50/1035471650.db2.gz AVSINWRFQHMPES-IBGZPJMESA-N -1 0 339.435 3.795 20 0 EHADRM CC(C)(CNC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1)c1cccnc1 ZINC000414090359 1035477015 /nfs/dbraw/zinc/47/70/15/1035477015.db2.gz CQVULNNVVUHJGW-HXUWFJFHSA-N -1 0 346.471 3.537 20 0 EHADRM C[C@](CC(=O)NCC1=CCCCC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000414094898 1035485398 /nfs/dbraw/zinc/48/53/98/1035485398.db2.gz PDXVVCJVSYHNGG-GOSISDBHSA-N -1 0 335.831 3.689 20 0 EHADRM CC(C)Oc1cccc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000414101224 1035499041 /nfs/dbraw/zinc/49/90/41/1035499041.db2.gz WCTXHFQCPCMSGO-FQEVSTJZSA-N -1 0 341.407 3.845 20 0 EHADRM CCC(CC)(CNC(=O)c1cc(C2CC2)nc2ccccc21)C(=O)[O-] ZINC000431793467 1035516332 /nfs/dbraw/zinc/51/63/32/1035516332.db2.gz ZDEGTGWCBVCJPW-UHFFFAOYSA-N -1 0 340.423 3.733 20 0 EHADRM Cc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1[N+](=O)[O-] ZINC000390563346 1035528481 /nfs/dbraw/zinc/52/84/81/1035528481.db2.gz TYYICYJOMKSXLC-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM CCC(CC)(CC(=O)Nc1cc(NC(=O)C2CC2)ccc1C)C(=O)[O-] ZINC000414108916 1035534323 /nfs/dbraw/zinc/53/43/23/1035534323.db2.gz GRIGZNJXRQLODD-UHFFFAOYSA-N -1 0 346.427 3.563 20 0 EHADRM Cc1ccc2cccc(C(=O)N[C@H](CC(=O)[O-])C3CCCCC3)c2n1 ZINC000431796284 1035544668 /nfs/dbraw/zinc/54/46/68/1035544668.db2.gz KAVUEYYXMGUUDY-QGZVFWFLSA-N -1 0 340.423 3.697 20 0 EHADRM COCC[C@@H](Cc1cccc(-c2ccc3ncn(C)c3c2)c1)C(=O)[O-] ZINC000571581612 1035545539 /nfs/dbraw/zinc/54/55/39/1035545539.db2.gz HFYVHLLWYGCICO-KRWDZBQOSA-N -1 0 338.407 3.520 20 0 EHADRM CCSc1ccccc1C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000540670013 1035559519 /nfs/dbraw/zinc/55/95/19/1035559519.db2.gz WFQFGTPNRQOWHN-UHFFFAOYSA-N -1 0 329.421 3.769 20 0 EHADRM C[C@H](CC(=O)N[C@H](CC(=O)[O-])C1CCCCC1)c1ccccc1F ZINC000540705042 1035585721 /nfs/dbraw/zinc/58/57/21/1035585721.db2.gz WQLDAFDYWHEWJJ-CXAGYDPISA-N -1 0 335.419 3.859 20 0 EHADRM CCC(CC)n1nc(C(=O)N[C@H](CC(=O)[O-])C2CCCCC2)cc1C ZINC000431803002 1035603333 /nfs/dbraw/zinc/60/33/33/1035603333.db2.gz VIBIIDXHFQWGNS-MRXNPFEDSA-N -1 0 349.475 3.706 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(F)c(C)c2)[nH]nc1-c1ccccc1 ZINC000534799647 1035628458 /nfs/dbraw/zinc/62/84/58/1035628458.db2.gz IHEFGUXDBQDACA-UHFFFAOYSA-N -1 0 345.399 3.633 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@@H]1CCCN1c1ccccc1 ZINC000376256899 1035641123 /nfs/dbraw/zinc/64/11/23/1035641123.db2.gz WNDNJEVSMMSIAT-HNNXBMFYSA-N -1 0 334.778 3.792 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)/C=C\SCc2ccco2)cc1 ZINC000492326243 1035649244 /nfs/dbraw/zinc/64/92/44/1035649244.db2.gz CPOHWBLGTOMPOQ-PAUBHIBZSA-N -1 0 329.377 3.763 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000540775263 1035670986 /nfs/dbraw/zinc/67/09/86/1035670986.db2.gz JJHHWQWUCNUQET-HNNXBMFYSA-N -1 0 349.446 3.936 20 0 EHADRM Fc1cc(CN=c2[n-]nc(CC3CCCCC3)o2)cc(F)c1F ZINC000540791742 1035683945 /nfs/dbraw/zinc/68/39/45/1035683945.db2.gz ONBDQLZUJPCDBU-UHFFFAOYSA-N -1 0 325.334 3.644 20 0 EHADRM CC1(C)CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])[C@@H]2COC[C@@H]21 ZINC000457082331 1035694353 /nfs/dbraw/zinc/69/43/53/1035694353.db2.gz IGOVBNQJTOVFSW-GOEBONIOSA-N -1 0 345.826 3.696 20 0 EHADRM FC(F)(F)COc1ccc(CN=c2[n-]c(-c3ccccc3)no2)cc1 ZINC000588160191 1035732073 /nfs/dbraw/zinc/73/20/73/1035732073.db2.gz NMRXHYASPLKHBF-UHFFFAOYSA-N -1 0 349.312 3.712 20 0 EHADRM Cc1ccc(F)cc1CN=c1[n-]nc(CCCc2cccs2)o1 ZINC000540860456 1035744025 /nfs/dbraw/zinc/74/40/25/1035744025.db2.gz BASQYTBHAJZSQK-UHFFFAOYSA-N -1 0 331.416 3.788 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000318605125 1035745353 /nfs/dbraw/zinc/74/53/53/1035745353.db2.gz CJWGKYAHIBHCHA-WQHBLYJGSA-N -1 0 343.210 3.710 20 0 EHADRM CO[C@@H](C)c1nc(=NCCc2c(Cl)cccc2Cl)s[n-]1 ZINC000509692435 1035835453 /nfs/dbraw/zinc/83/54/53/1035835453.db2.gz JBCYUYKHRFFIIZ-QMMMGPOBSA-N -1 0 332.256 3.629 20 0 EHADRM COc1cc(CSc2n[n-]c(=Nc3ccccc3F)s2)ccn1 ZINC000534979023 1035857219 /nfs/dbraw/zinc/85/72/19/1035857219.db2.gz YRQHKMJRLJYZBR-UHFFFAOYSA-N -1 0 348.428 3.539 20 0 EHADRM CCc1cc(=O)[nH]c(SCc2ncc(-c3cccc(Cl)c3)o2)n1 ZINC000188092778 1035893475 /nfs/dbraw/zinc/89/34/75/1035893475.db2.gz GXJJQPFQSRAXSN-UHFFFAOYSA-N -1 0 347.827 3.933 20 0 EHADRM CCc1nn(C)c(OC)c1C/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000156831232 1036003475 /nfs/dbraw/zinc/00/34/75/1036003475.db2.gz XDIRKEQDAYDHDO-CNHKJKLMSA-N -1 0 342.226 3.623 20 0 EHADRM O=[N+]([O-])c1ccc([O-])c(/C=N/Cc2ccc(N3CCCC3)cc2)c1 ZINC000032069748 1036016087 /nfs/dbraw/zinc/01/60/87/1036016087.db2.gz MBQXEXSPKMDILL-CPNJWEJPSA-N -1 0 325.368 3.520 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)C3(C(=O)[O-])CCCC3)ccc2o1 ZINC000572408615 1036080601 /nfs/dbraw/zinc/08/06/01/1036080601.db2.gz FJDFLDQQMJCLCY-UHFFFAOYSA-N -1 0 330.384 3.709 20 0 EHADRM O=S(=O)(C=Cc1ccc(F)cc1)[N-]c1cc(-c2cccs2)[nH]n1 ZINC000178184363 1036106517 /nfs/dbraw/zinc/10/65/17/1036106517.db2.gz MKBRLDCGSSNLAJ-VQHVLOKHSA-N -1 0 349.412 3.690 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cc(C)ccc2C)nn1[C@@H](C)C1CC1 ZINC000541302152 1036188584 /nfs/dbraw/zinc/18/85/84/1036188584.db2.gz AQMAIPCNZCLHQF-AWEZNQCLSA-N -1 0 333.457 3.580 20 0 EHADRM O=S(=O)([N-]c1cc(Cc2ccccc2)ccc1O)c1cccs1 ZINC000175025129 1036207967 /nfs/dbraw/zinc/20/79/67/1036207967.db2.gz ASJNCEGBULCMEE-UHFFFAOYSA-N -1 0 345.445 3.845 20 0 EHADRM CN(CCc1ccncc1)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000175208661 1036254157 /nfs/dbraw/zinc/25/41/57/1036254157.db2.gz ZWMJGPIJAUZGBK-UHFFFAOYSA-N -1 0 340.810 3.909 20 0 EHADRM CN(CC1CCCCC1)C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000665994522 1036295495 /nfs/dbraw/zinc/29/54/95/1036295495.db2.gz NRSUVEDKKTWAHL-UHFFFAOYSA-N -1 0 349.381 3.508 20 0 EHADRM O=C(c1ccc(Cl)cc1O)N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000175287629 1036301701 /nfs/dbraw/zinc/30/17/01/1036301701.db2.gz IMYDHIZNZHZXAL-MRXNPFEDSA-N -1 0 345.826 3.519 20 0 EHADRM Cc1cc(=NC(=O)c2cccc(-c3c(F)cccc3F)c2)[n-]nc1C ZINC000535321343 1036329939 /nfs/dbraw/zinc/32/99/39/1036329939.db2.gz LFGRGJKHEVWJIF-UHFFFAOYSA-N -1 0 339.345 3.713 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc3c2OCCO3)cc1 ZINC000535345135 1036368693 /nfs/dbraw/zinc/36/86/93/1036368693.db2.gz OHIIAOUREPMGCO-UHFFFAOYSA-N -1 0 347.436 3.556 20 0 EHADRM CSc1nsc(NC(=O)c2c([O-])cc(Cl)cc2Cl)n1 ZINC000175523377 1036397544 /nfs/dbraw/zinc/39/75/44/1036397544.db2.gz RONRBWGRZRYPFJ-UHFFFAOYSA-N -1 0 336.225 3.525 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(C)c2O)c(F)c1 ZINC000404893910 1036475484 /nfs/dbraw/zinc/47/54/84/1036475484.db2.gz FCMKJAVQJPSRAX-UHFFFAOYSA-N -1 0 329.780 3.602 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)on1 ZINC000175648232 1036475785 /nfs/dbraw/zinc/47/57/85/1036475785.db2.gz BJKULHLDLVBVSE-UHFFFAOYSA-N -1 0 348.346 3.792 20 0 EHADRM O=C([O-])c1occc1CNC(=O)C1(c2cccc(F)c2)CCCCC1 ZINC000659198039 1036475968 /nfs/dbraw/zinc/47/59/68/1036475968.db2.gz MTKDVVZPBXRJQR-UHFFFAOYSA-N -1 0 345.370 3.635 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)c2nn(-c3ccccc3)cc2[O-])c1 ZINC000175916533 1036522144 /nfs/dbraw/zinc/52/21/44/1036522144.db2.gz ZZLSSYYLLFFTJH-ZDUSSCGKSA-N -1 0 337.379 3.538 20 0 EHADRM O=C(N[C@H](c1cccs1)C1CC1)c1cc(F)c(F)c([O-])c1F ZINC000541641227 1036535789 /nfs/dbraw/zinc/53/57/89/1036535789.db2.gz RHYIJVOGNQIYJY-ZDUSSCGKSA-N -1 0 327.327 3.752 20 0 EHADRM O=C([O-])CN(Cc1ccccc1)C(=O)c1csc2ccccc12 ZINC000347366359 1036539884 /nfs/dbraw/zinc/53/98/84/1036539884.db2.gz NGTZAQNNYMWQRH-UHFFFAOYSA-N -1 0 325.389 3.628 20 0 EHADRM CCn1cccc1CN=c1[n-]nc(COc2ccc(Cl)cc2)s1 ZINC000414305597 1036558785 /nfs/dbraw/zinc/55/87/85/1036558785.db2.gz QCKCYSVNSWNADC-UHFFFAOYSA-N -1 0 348.859 3.626 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)c2c(C)ccc(C)c2C(=O)[O-])s1 ZINC000391187042 1036562116 /nfs/dbraw/zinc/56/21/16/1036562116.db2.gz MDGPRJGDRGZXPR-GFCCVEGCSA-N -1 0 331.437 3.733 20 0 EHADRM COc1ccnc2c(NC(=O)c3cc(F)c(F)c([O-])c3F)cccc12 ZINC000541707319 1036586196 /nfs/dbraw/zinc/58/61/96/1036586196.db2.gz INVJBIAYAPSQPT-UHFFFAOYSA-N -1 0 348.280 3.619 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2CCC(c3ccccc3C)CC2)s1 ZINC000541717942 1036589047 /nfs/dbraw/zinc/58/90/47/1036589047.db2.gz JWIOFZFOLSIIIP-UHFFFAOYSA-N -1 0 344.484 3.632 20 0 EHADRM Cc1ccc(S[C@@H](C)C(=O)NCCc2ccc(C(=O)[O-])cc2)cc1 ZINC000013443245 1036602834 /nfs/dbraw/zinc/60/28/34/1036602834.db2.gz RJEIBMXADLOKEQ-AWEZNQCLSA-N -1 0 343.448 3.533 20 0 EHADRM O=C(N=c1ncn(C2CCCCC2)[n-]1)N1CCC[C@@H]1C1CCCCC1 ZINC000541793118 1036652424 /nfs/dbraw/zinc/65/24/24/1036652424.db2.gz UPXFXWGPKSEJDV-QGZVFWFLSA-N -1 0 345.491 3.782 20 0 EHADRM Cc1ccc(-c2nc(C(=O)N=c3nc(C(C)(C)C)[n-]s3)cs2)o1 ZINC000589937141 1036666627 /nfs/dbraw/zinc/66/66/27/1036666627.db2.gz FHPRNQBKJXQRBV-UHFFFAOYSA-N -1 0 348.453 3.535 20 0 EHADRM Cc1ccc(CCC(=O)N=c2nc(C(C)(C)C)[n-]s2)cc1Cl ZINC000589936673 1036667150 /nfs/dbraw/zinc/66/71/50/1036667150.db2.gz FTXXIBKBFIBYRE-UHFFFAOYSA-N -1 0 337.876 3.791 20 0 EHADRM [O-]c1c(Cl)cc(CN2CC[C@@]3(C2)CC(F)(F)CO3)cc1Cl ZINC001140832047 1036700851 /nfs/dbraw/zinc/70/08/51/1036700851.db2.gz COJCVWAFLXUHOV-ZDUSSCGKSA-N -1 0 338.181 3.699 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2nc3cc(Cl)cc(Cl)c3o2)C1 ZINC000263290476 1036759072 /nfs/dbraw/zinc/75/90/72/1036759072.db2.gz YQYVDWKFEIQWSR-SFYZADRCSA-N -1 0 329.183 3.682 20 0 EHADRM C[C@@H]1C[C@@H]1[C@@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000263325395 1036776957 /nfs/dbraw/zinc/77/69/57/1036776957.db2.gz OOPKKWGZXJNFSZ-BBJCOLAGSA-N -1 0 335.831 3.654 20 0 EHADRM CCN(C(=O)Cc1ccc(C(=O)[O-])cc1)[C@@H](C)c1cccc(OC)c1 ZINC000263325178 1036777689 /nfs/dbraw/zinc/77/76/89/1036777689.db2.gz KDEIBTJNXBGISZ-AWEZNQCLSA-N -1 0 341.407 3.546 20 0 EHADRM CSc1ccc(C)c(NC(=O)N=c2[n-]nc(C(C)(C)C)s2)c1 ZINC000539455945 1036778510 /nfs/dbraw/zinc/77/85/10/1036778510.db2.gz JVWCZFPLAOQLCC-UHFFFAOYSA-N -1 0 336.486 3.932 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)C1 ZINC000263328238 1036778977 /nfs/dbraw/zinc/77/89/77/1036778977.db2.gz PFWPUZIKNFGEJA-SQGPQFPESA-N -1 0 349.430 3.662 20 0 EHADRM CC(NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)(c1ccccc1)c1ccccc1 ZINC000263320265 1036783659 /nfs/dbraw/zinc/78/36/59/1036783659.db2.gz NJHZYUSIFURTTG-CVEARBPZSA-N -1 0 337.419 3.567 20 0 EHADRM O=C(Nc1nc(Cc2ccccc2)ns1)c1ccc(F)c(F)c1F ZINC000177202655 1036788034 /nfs/dbraw/zinc/78/80/34/1036788034.db2.gz SVJJALDHGODTFD-UHFFFAOYSA-N -1 0 349.337 3.799 20 0 EHADRM O=S(=O)([N-]c1c(-c2ccccc2)ncn1C1CC1)c1ccsc1 ZINC000685915562 1036809877 /nfs/dbraw/zinc/80/98/77/1036809877.db2.gz ZVROPGLCXXWPKE-UHFFFAOYSA-N -1 0 345.449 3.747 20 0 EHADRM C[C@H](C(=O)N1CCC[C@]1(C)C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000263392097 1036838253 /nfs/dbraw/zinc/83/82/53/1036838253.db2.gz CZUYTYDLDONDFV-BJOHPYRUSA-N -1 0 330.211 3.563 20 0 EHADRM O=S(=O)([N-]c1ccccc1CCC(F)(F)F)c1cncc(F)c1 ZINC000464836481 1036851845 /nfs/dbraw/zinc/85/18/45/1036851845.db2.gz SALHMRADSYNUBV-UHFFFAOYSA-N -1 0 348.321 3.516 20 0 EHADRM CCC[C@H]1CCCC[C@@H]1CNS(=O)(=O)c1cnc(Cl)c(F)c1 ZINC001212163319 1036854476 /nfs/dbraw/zinc/85/44/76/1036854476.db2.gz UHLDITFERHFFCD-NWDGAFQWSA-N -1 0 348.871 3.759 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc3[nH]cnc32)cc1 ZINC000462373720 1036882448 /nfs/dbraw/zinc/88/24/48/1036882448.db2.gz AURFPLPZIZTVQI-LBPRGKRZSA-N -1 0 329.425 3.877 20 0 EHADRM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000006415571 1036907913 /nfs/dbraw/zinc/90/79/13/1036907913.db2.gz VFENMMIHMJXHNO-UHFFFAOYSA-N -1 0 327.352 3.553 20 0 EHADRM C[C@H](NC(=O)CCCc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)[O-] ZINC000263436268 1036910598 /nfs/dbraw/zinc/91/05/98/1036910598.db2.gz LPNREQNUITYWKX-UWVGGRQHSA-N -1 0 332.227 3.542 20 0 EHADRM CCc1ccc(-c2ccc(CN=c3[n-]nc(-c4ccncc4)o3)o2)cc1 ZINC000462389894 1036911221 /nfs/dbraw/zinc/91/12/21/1036911221.db2.gz PDYGWRIFBDMMOZ-UHFFFAOYSA-N -1 0 346.390 3.988 20 0 EHADRM C[C@H](NC(=O)c1ccc(SCc2ccccc2)cc1)[C@H](C)C(=O)[O-] ZINC000263437330 1036913084 /nfs/dbraw/zinc/91/30/84/1036913084.db2.gz LSGGEVAYVPLBSR-KBPBESRZSA-N -1 0 343.448 3.818 20 0 EHADRM CCSCc1ccc(C(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])cc1 ZINC000263439773 1036917422 /nfs/dbraw/zinc/91/74/22/1036917422.db2.gz MCDIADMYKUJZTD-CVEARBPZSA-N -1 0 335.469 3.703 20 0 EHADRM C[C@H]1CC[C@]2(CCN(C(=O)N=c3ccc(-c4ccccc4)n[n-]3)C2)C1 ZINC000541972584 1036923409 /nfs/dbraw/zinc/92/34/09/1036923409.db2.gz LLVVFAOTABBBPR-YWZLYKJASA-N -1 0 336.439 3.610 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@@H](C)Oc1cc(C)ccc1Cl ZINC000539572938 1036933738 /nfs/dbraw/zinc/93/37/38/1036933738.db2.gz PBUFFSNJNOMJSV-GFCCVEGCSA-N -1 0 341.835 3.565 20 0 EHADRM CN(CCC(=O)[O-])C(=O)Nc1ccc(OCC2CCCCC2)cc1 ZINC000263460118 1036949898 /nfs/dbraw/zinc/94/98/98/1036949898.db2.gz DGTCLQZFWUJBOI-UHFFFAOYSA-N -1 0 334.416 3.584 20 0 EHADRM CC(C)c1ccc(C(=O)N(C)[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000263492631 1036983316 /nfs/dbraw/zinc/98/33/16/1036983316.db2.gz XEZWZLLATIRKMW-GOSISDBHSA-N -1 0 325.408 3.578 20 0 EHADRM CCCOc1ccc(NC(=O)NCc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000263504095 1037014375 /nfs/dbraw/zinc/01/43/75/1037014375.db2.gz UXIHKBIVATXXNN-UHFFFAOYSA-N -1 0 342.395 3.804 20 0 EHADRM CCC(CC)c1nnc([N-]S(=O)(=O)c2cc(F)cc(F)c2)s1 ZINC000176595819 1037069985 /nfs/dbraw/zinc/06/99/85/1037069985.db2.gz HGVWKDYADNNTDI-UHFFFAOYSA-N -1 0 347.412 3.521 20 0 EHADRM O=C(CCc1ccc2ccccc2c1)[N-]S(=O)(=O)c1cccnc1 ZINC000054427007 1037089913 /nfs/dbraw/zinc/08/99/13/1037089913.db2.gz MLMDJJYFQHPMEW-UHFFFAOYSA-N -1 0 340.404 3.513 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccccc1Cl)C1CCCCCCC1 ZINC000173905628 1037099534 /nfs/dbraw/zinc/09/95/34/1037099534.db2.gz ZXXXIWBXGANZMS-UHFFFAOYSA-N -1 0 329.849 3.505 20 0 EHADRM CC[C@@H](C)n1ncc2c1nc(/C=C/c1cccnc1C)cc2C(=O)[O-] ZINC000573005356 1037151686 /nfs/dbraw/zinc/15/16/86/1037151686.db2.gz MVHSMSMKRCBCBW-ABZNLYFFSA-N -1 0 336.395 3.974 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)NC/C=C/c1ccccc1)C1CCCCC1 ZINC000539772890 1037174102 /nfs/dbraw/zinc/17/41/02/1037174102.db2.gz QMFPSADJDMJMQQ-ZBWUASRJSA-N -1 0 329.440 3.877 20 0 EHADRM O=C([O-])c1coc(C(=O)N2CCCC[C@@H]2c2cccc(Cl)c2)c1 ZINC000263583014 1037174562 /nfs/dbraw/zinc/17/45/62/1037174562.db2.gz ZIZGFAMDQWNQNP-CQSZACIVSA-N -1 0 333.771 3.999 20 0 EHADRM CC(C)N(Cc1cccnc1)C(=O)c1cccc(Br)c1[O-] ZINC000539842412 1037271255 /nfs/dbraw/zinc/27/12/55/1037271255.db2.gz YEFQSGKXNVPEFS-UHFFFAOYSA-N -1 0 349.228 3.601 20 0 EHADRM Cc1c(CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)oc2ccc(F)cc12 ZINC000659121012 1037289963 /nfs/dbraw/zinc/28/99/63/1037289963.db2.gz CQMKKTHUQUCLMG-UHFFFAOYSA-N -1 0 345.370 3.532 20 0 EHADRM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3ccc(C)s3)c2)n1 ZINC000106184252 1037307522 /nfs/dbraw/zinc/30/75/22/1037307522.db2.gz FYRUXHAMGWOMFC-UHFFFAOYSA-N -1 0 347.465 3.660 20 0 EHADRM CCCC[C@@H](NC(=O)Nc1ccc(Br)c(C)c1)C(=O)[O-] ZINC000040536976 1037310258 /nfs/dbraw/zinc/31/02/58/1037310258.db2.gz GILISOJCWXUVBB-GFCCVEGCSA-N -1 0 343.221 3.522 20 0 EHADRM Cc1ccc(O)c(C(=O)Nc2ccccc2CC(=O)OC(C)(C)C)c1 ZINC000539881311 1037320677 /nfs/dbraw/zinc/32/06/77/1037320677.db2.gz ASFAOWDYRJOHLR-UHFFFAOYSA-N -1 0 341.407 3.837 20 0 EHADRM O=C([O-])Cn1ccc2cc(NC(=O)C3CCC4(CC4)CC3)ccc21 ZINC000659134151 1037344597 /nfs/dbraw/zinc/34/45/97/1037344597.db2.gz TUBMAGRHLJADJB-UHFFFAOYSA-N -1 0 326.396 3.635 20 0 EHADRM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC000659139573 1037354824 /nfs/dbraw/zinc/35/48/24/1037354824.db2.gz FAIKUCLNMBOREJ-UKRRQHHQSA-N -1 0 345.414 3.565 20 0 EHADRM CC(C)Cc1nc(=NC(=O)c2cccc(-c3cscn3)c2)s[n-]1 ZINC000618348340 1037369179 /nfs/dbraw/zinc/36/91/79/1037369179.db2.gz KSNYUIUVHXUISP-UHFFFAOYSA-N -1 0 344.465 3.534 20 0 EHADRM COc1ccccc1[C@H](CC(C)C)NC(=O)c1cc(C(=O)[O-])oc1C ZINC000659155007 1037385830 /nfs/dbraw/zinc/38/58/30/1037385830.db2.gz XHNKNLYYOXKTOR-HNNXBMFYSA-N -1 0 345.395 3.812 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)C[C@H](C)c2ccc(F)cc2)n1 ZINC000659185474 1037446982 /nfs/dbraw/zinc/44/69/82/1037446982.db2.gz AEOSZAWKYMLJNH-SWLSCSKDSA-N -1 0 347.390 3.580 20 0 EHADRM CC(C)COc1cccc(C(=O)[N-]S(=O)(=O)C2CCCCC2)c1 ZINC000058069943 1037449570 /nfs/dbraw/zinc/44/95/70/1037449570.db2.gz OUDWVUKOHGBNGN-UHFFFAOYSA-N -1 0 339.457 3.689 20 0 EHADRM CCCCOc1ccc(C(=O)[N-]S(=O)(=O)C2CCCCC2)cc1 ZINC000058073199 1037451513 /nfs/dbraw/zinc/45/15/13/1037451513.db2.gz JWTYCGFIJPLTQY-UHFFFAOYSA-N -1 0 339.457 3.833 20 0 EHADRM Cc1cc(OCC(=O)[N-]S(=O)(=O)C2CCCCC2)ccc1Cl ZINC000058073882 1037452040 /nfs/dbraw/zinc/45/20/40/1037452040.db2.gz TUXNHDVVHCRJHR-UHFFFAOYSA-N -1 0 345.848 3.646 20 0 EHADRM O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1ccc([O-])c(Cl)c1 ZINC000171092505 1037453608 /nfs/dbraw/zinc/45/36/08/1037453608.db2.gz UECIYKLUCZFZBE-IRXDYDNUSA-N -1 0 331.799 3.696 20 0 EHADRM CC(C)(C)c1ccc(SCC(=O)NCc2ccoc2C(=O)[O-])cc1 ZINC000659198538 1037472222 /nfs/dbraw/zinc/47/22/22/1037472222.db2.gz UODCQGWZNLCOAK-UHFFFAOYSA-N -1 0 347.436 3.684 20 0 EHADRM C[C@]12CC3CC(C(=O)NC[C@H](CC(=O)[O-])C4CC4)(C1)C[C@@](C)(C3)C2 ZINC000659210000 1037479481 /nfs/dbraw/zinc/47/94/81/1037479481.db2.gz QJIIMYWPQOVBLX-PROVZTNQSA-N -1 0 333.472 3.600 20 0 EHADRM O=C([N-]S(=O)(=O)C1CCCCC1)C1C2CC3CC(C2)CC1C3 ZINC000058077482 1037484485 /nfs/dbraw/zinc/48/44/85/1037484485.db2.gz NDPLBDOEKKDTBZ-UHFFFAOYSA-N -1 0 325.474 3.678 20 0 EHADRM O=C(N=c1[n-]nc(C2CC2)s1)N[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000573420204 1037490527 /nfs/dbraw/zinc/49/05/27/1037490527.db2.gz LSAIVPZCPAJFKW-CABCVRRESA-N -1 0 342.468 3.685 20 0 EHADRM CC[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2S[C@H](C)C(=O)[O-])C1 ZINC000659216050 1037492026 /nfs/dbraw/zinc/49/20/26/1037492026.db2.gz VATOOXVCJIAJPT-MGPQQGTHSA-N -1 0 335.469 3.903 20 0 EHADRM Cc1ccc(NC(=O)c2cc(Br)cc(C(=O)[O-])c2)cc1 ZINC000462894852 1037523109 /nfs/dbraw/zinc/52/31/09/1037523109.db2.gz JSUJXHZNDDIBPT-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM C[C@@H](NC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC000328277976 1037545182 /nfs/dbraw/zinc/54/51/82/1037545182.db2.gz YMTZOIRVFQWMAJ-WCABBAIRSA-N -1 0 345.226 3.607 20 0 EHADRM CCc1c([N-]S(=O)(=O)c2ccc(CC)cc2)cnn1CCC(C)C ZINC000491593906 1037573371 /nfs/dbraw/zinc/57/33/71/1037573371.db2.gz KRTYPVWUCZXBSF-UHFFFAOYSA-N -1 0 349.500 3.855 20 0 EHADRM Cc1oc(-c2ccccc2)c(C(=O)N[C@@H]2CCC[C@]2(C)C(=O)[O-])c1C ZINC000659243998 1037574115 /nfs/dbraw/zinc/57/41/15/1037574115.db2.gz YFLICTFIGNGYPR-QRWLVFNGSA-N -1 0 341.407 3.937 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)[C@H]1CCCC(C)(C)C1 ZINC000573482382 1037582179 /nfs/dbraw/zinc/58/21/79/1037582179.db2.gz CSKHWEOGOWNDQG-ZDUSSCGKSA-N -1 0 328.416 3.641 20 0 EHADRM O=C([O-])c1occc1CN1CCC[C@H]1c1nc2ccccc2s1 ZINC000573571537 1037616756 /nfs/dbraw/zinc/61/67/56/1037616756.db2.gz WUKKSVILOYFCBM-ZDUSSCGKSA-N -1 0 328.393 3.925 20 0 EHADRM CC(C)Cc1cc(NS(=O)(=O)C=Cc2ccc(Cl)cc2)[nH]n1 ZINC000760894088 1037618241 /nfs/dbraw/zinc/61/82/41/1037618241.db2.gz LGASNTKAIRGZDS-BQYQJAHWSA-N -1 0 339.848 3.674 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)N[C@H](C)c3cc(C)cc(C)c3)cc2=O)cc1 ZINC000172792223 1037658561 /nfs/dbraw/zinc/65/85/61/1037658561.db2.gz SOSJBYDJXOYMSM-MRXNPFEDSA-N -1 0 349.434 3.582 20 0 EHADRM CCO[C@H]1C[C@H](N=c2nc(-c3ccccc3)[n-]s2)C12CCCC2 ZINC000463021329 1037666532 /nfs/dbraw/zinc/66/65/32/1037666532.db2.gz AMXNEQALUJOOEQ-GJZGRUSLSA-N -1 0 329.469 3.777 20 0 EHADRM Cc1ccc(C(C)(C)CN(C)C(=O)N=c2ccc(C3CC3)n[n-]2)cc1 ZINC000532567843 1037668498 /nfs/dbraw/zinc/66/84/98/1037668498.db2.gz BPZOUSDKXSSUNQ-UHFFFAOYSA-N -1 0 338.455 3.526 20 0 EHADRM CC(C)OCCCSc1n[n-]c(=Nc2ccccc2F)s1 ZINC000491836199 1037704832 /nfs/dbraw/zinc/70/48/32/1037704832.db2.gz YGFJKUVEUGUMGO-UHFFFAOYSA-N -1 0 327.450 3.750 20 0 EHADRM CCOc1ccccc1-c1noc(C(=O)[N-]c2c(F)cccc2F)n1 ZINC001212170946 1037835630 /nfs/dbraw/zinc/83/56/30/1037835630.db2.gz NKDGXTUSUZTCIH-UHFFFAOYSA-N -1 0 345.305 3.666 20 0 EHADRM Cc1cc(C)cc(CCC(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000669434798 1037849584 /nfs/dbraw/zinc/84/95/84/1037849584.db2.gz YRXUPLBERGXUMZ-GOSISDBHSA-N -1 0 337.419 3.841 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@H](C)c3ccc[nH]3)n2)cc1 ZINC000760947478 1037873825 /nfs/dbraw/zinc/87/38/25/1037873825.db2.gz AHZKOMDJDHVLQQ-CYBMUJFWSA-N -1 0 338.411 3.520 20 0 EHADRM CC(=O)c1ccccc1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182928911 1037922362 /nfs/dbraw/zinc/92/23/62/1037922362.db2.gz JHEYIVSPQVYLKX-UHFFFAOYSA-N -1 0 348.196 3.918 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)c(OC(F)F)c1)c1cccs1 ZINC000183146739 1037930591 /nfs/dbraw/zinc/93/05/91/1037930591.db2.gz DPSNNJBPMWJBRA-UHFFFAOYSA-N -1 0 339.772 3.804 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)NC[C@@H](C)C2CC2)s1)c1ccccc1 ZINC000592505714 1038012269 /nfs/dbraw/zinc/01/22/69/1038012269.db2.gz BOVBIKKJNPLPFJ-IUODEOHRSA-N -1 0 344.484 3.670 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-]c2ncc(C(C)C)s2)cc1F ZINC000184199251 1038015953 /nfs/dbraw/zinc/01/59/53/1038015953.db2.gz HUFYPFFJQGCLBD-UHFFFAOYSA-N -1 0 328.434 3.656 20 0 EHADRM Cc1oc(CN(C)C(=O)/C=C\c2ccc([C@@H]3C[C@@H]3C)o2)cc1C(=O)[O-] ZINC000492144305 1038033065 /nfs/dbraw/zinc/03/30/65/1038033065.db2.gz ZZDSCELKYLKPCI-NCRJEPMUSA-N -1 0 343.379 3.674 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2nc(C(C)(C)C)cs2)c1F ZINC000313239122 1038212807 /nfs/dbraw/zinc/21/28/07/1038212807.db2.gz QGVRKRGZPHQDNJ-UHFFFAOYSA-N -1 0 328.434 3.689 20 0 EHADRM O=C(c1cc(F)cc(Br)c1[O-])N1CCC[C@H]1C1CCC1 ZINC000416148411 1038227559 /nfs/dbraw/zinc/22/75/59/1038227559.db2.gz DAHQUGKDYNVHIA-ZDUSSCGKSA-N -1 0 342.208 3.699 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)cc1 ZINC000461346611 1038341962 /nfs/dbraw/zinc/34/19/62/1038341962.db2.gz ZUDPKWTURZGIJA-UHFFFAOYSA-N -1 0 349.355 3.770 20 0 EHADRM Cc1nn(C)c2cc([N-]S(=O)(=O)c3cc(C)ccc3Cl)ccc12 ZINC000461332645 1038346533 /nfs/dbraw/zinc/34/65/33/1038346533.db2.gz LJQSKCBRNYOPFT-UHFFFAOYSA-N -1 0 349.843 3.644 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C/C=C/c1ccc(F)cc1)C1CCCCC1 ZINC000538514767 1038353966 /nfs/dbraw/zinc/35/39/66/1038353966.db2.gz RBYUFGUHGUTKKB-BDUNBXCCSA-N -1 0 333.403 3.769 20 0 EHADRM Cc1cccc2cc(C(=O)N[C@@H](CC(=O)[O-])C3CCCCC3)oc21 ZINC000538514708 1038355422 /nfs/dbraw/zinc/35/54/22/1038355422.db2.gz OKPOLDDNVZLZBP-HNNXBMFYSA-N -1 0 329.396 3.895 20 0 EHADRM O=S(=O)([N-]c1cccc(-n2cccc2)c1)c1ccc(F)cc1F ZINC000339123069 1038368236 /nfs/dbraw/zinc/36/82/36/1038368236.db2.gz FNJJXMLZATZAPG-UHFFFAOYSA-N -1 0 334.347 3.556 20 0 EHADRM C[C@@H]1C[C@@H]1[C@H](NC(=O)c1ccc(C(=O)[O-])o1)c1ccc(Cl)cc1 ZINC000538582768 1038405169 /nfs/dbraw/zinc/40/51/69/1038405169.db2.gz OBDUGOSIQUMQSY-MURWCNHISA-N -1 0 333.771 3.758 20 0 EHADRM Fc1cc(CN=c2[n-]nc(CC3CCCC3)o2)cc(C(F)(F)F)c1 ZINC000538593980 1038406964 /nfs/dbraw/zinc/40/69/64/1038406964.db2.gz OHLVLHYCZNYKGH-UHFFFAOYSA-N -1 0 343.324 3.994 20 0 EHADRM CC(C)CCc1n[n-]c(=NCc2ccccc2OC(F)(F)F)o1 ZINC000538592444 1038421149 /nfs/dbraw/zinc/42/11/49/1038421149.db2.gz BLUJABKFRVHZIF-UHFFFAOYSA-N -1 0 329.322 3.591 20 0 EHADRM CCCCc1n[n-]c(=NCc2ccc(OCC(F)F)cc2)s1 ZINC000538609321 1038433327 /nfs/dbraw/zinc/43/33/27/1038433327.db2.gz YQBACRQIAZHLFJ-UHFFFAOYSA-N -1 0 327.400 3.559 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2C)s1 ZINC000538702484 1038477288 /nfs/dbraw/zinc/47/72/88/1038477288.db2.gz PVZHTEIVPNIOSS-GWCFXTLKSA-N -1 0 348.497 3.517 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N3[C@@H](C)CC[C@H]3C(=O)[O-])o2)cc1 ZINC000653317411 1038512122 /nfs/dbraw/zinc/51/21/22/1038512122.db2.gz VMPVIBXCLJUFTA-WFASDCNBSA-N -1 0 327.380 3.587 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N[C@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000455917739 1038544388 /nfs/dbraw/zinc/54/43/88/1038544388.db2.gz IQYGDCPELHMBMS-CZUORRHYSA-N -1 0 343.423 3.773 20 0 EHADRM C[C@@]1(NC(=O)CCCc2ccc(Cl)cc2)CCCC[C@@H]1C(=O)[O-] ZINC000431865075 1038563181 /nfs/dbraw/zinc/56/31/81/1038563181.db2.gz ZVHJNHRSWVMYEU-CRAIPNDOSA-N -1 0 337.847 3.812 20 0 EHADRM CC[C@H](C)c1n[n-]c(=Nc2cccc(OC)c2)n1C[C@@H]1CCCCO1 ZINC000461804826 1038615918 /nfs/dbraw/zinc/61/59/18/1038615918.db2.gz DJTVFJNQDCYMDY-YOEHRIQHSA-N -1 0 344.459 3.535 20 0 EHADRM O=C([O-])[C@@H]1CCCN1c1nc(-c2ccccc2C(F)(F)F)cs1 ZINC000416425500 1038657716 /nfs/dbraw/zinc/65/77/16/1038657716.db2.gz FACWDRRKNXVLDZ-LBPRGKRZSA-N -1 0 342.342 3.882 20 0 EHADRM C/C=C\C[C@@H](NC(=O)Nc1ccc(-c2csc(C)n2)cc1)C(=O)[O-] ZINC000584567852 1038662691 /nfs/dbraw/zinc/66/26/91/1038662691.db2.gz CTQWZDCNHYFNHW-VQTKUKTRSA-N -1 0 345.424 3.659 20 0 EHADRM CCCc1nc(=N[C@H](C)c2ccc(Br)s2)s[n-]1 ZINC000461934473 1038683381 /nfs/dbraw/zinc/68/33/81/1038683381.db2.gz JDHKRYLAJJJGGA-SSDOTTSWSA-N -1 0 332.292 3.910 20 0 EHADRM CCCc1nc(=NCc2cccc(OCC)c2OC(F)F)s[n-]1 ZINC000461940427 1038688315 /nfs/dbraw/zinc/68/83/15/1038688315.db2.gz GOPZONYDMDLGHW-UHFFFAOYSA-N -1 0 343.399 3.525 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2ccc(C)cc2F)c1C ZINC000539194472 1038731311 /nfs/dbraw/zinc/73/13/11/1038731311.db2.gz SWVSNHVUNKRHSY-UHFFFAOYSA-N -1 0 325.430 3.965 20 0 EHADRM CC[C@H](OCCN=c1[n-]nc(C(F)(F)F)s1)c1ccccc1 ZINC000651392890 1038761844 /nfs/dbraw/zinc/76/18/44/1038761844.db2.gz DUOSMNIEIIMWNV-NSHDSACASA-N -1 0 331.363 3.559 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cccc(C3CCC3)c2)[C@H]2CCC[C@H]21 ZINC000910243470 1038783573 /nfs/dbraw/zinc/78/35/73/1038783573.db2.gz XTHCOHFQWSKWFB-KSZLIROESA-N -1 0 327.424 3.670 20 0 EHADRM Cc1ccc([C@@H](NCc2noc(C3CCCCC3)n2)C(=O)[O-])cc1C ZINC000905381927 1038837545 /nfs/dbraw/zinc/83/75/45/1038837545.db2.gz SWNDCDVXHONNME-QGZVFWFLSA-N -1 0 343.427 3.650 20 0 EHADRM CCCc1ccc([C@@H](NC(=O)CCC(=O)[O-])c2cccs2)cc1 ZINC000554070259 1038852603 /nfs/dbraw/zinc/85/26/03/1038852603.db2.gz NWCSOPBPMJSSFW-GOSISDBHSA-N -1 0 331.437 3.771 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N[C@H](CC(=O)[O-])c2ccccc2C)cc1 ZINC000236972139 1038915258 /nfs/dbraw/zinc/91/52/58/1038915258.db2.gz XHACWBYVBGWVOQ-HNAYVOBHSA-N -1 0 339.435 3.993 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCC=C(c2cccnc2)C1 ZINC000552060818 1038925546 /nfs/dbraw/zinc/92/55/46/1038925546.db2.gz KXQLKPVGFKWJCY-UHFFFAOYSA-N -1 0 332.762 3.509 20 0 EHADRM C[C@@H]1c2sccc2CCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000910503588 1038952943 /nfs/dbraw/zinc/95/29/43/1038952943.db2.gz FADKCRSMEYLGKQ-GFCCVEGCSA-N -1 0 329.421 3.525 20 0 EHADRM CC(C)(NC(=O)CC1CCC(C(=O)[O-])CC1)c1ccc(F)cc1F ZINC000910557998 1038976538 /nfs/dbraw/zinc/97/65/38/1038976538.db2.gz BAEHWWRYEPLNLS-UHFFFAOYSA-N -1 0 339.382 3.597 20 0 EHADRM CCCCN(C(=O)c1cncc(C(=O)[O-])c1)[C@H](C)c1ccc(C)o1 ZINC000910624051 1038992095 /nfs/dbraw/zinc/99/20/95/1038992095.db2.gz NEHHTUGJGULRRX-CYBMUJFWSA-N -1 0 330.384 3.685 20 0 EHADRM O=S(=O)([N-]c1cncc(F)c1)c1ccc(-c2ccccc2)cc1 ZINC000500563202 1038992957 /nfs/dbraw/zinc/99/29/57/1038992957.db2.gz DPOOZCCZJWXCGQ-UHFFFAOYSA-N -1 0 328.368 3.689 20 0 EHADRM O=S(=O)([N-]c1cncc(F)c1)c1ccccc1-c1ccccc1 ZINC000500562685 1038993077 /nfs/dbraw/zinc/99/30/77/1038993077.db2.gz CJBSFAHRBKWLRK-UHFFFAOYSA-N -1 0 328.368 3.689 20 0 EHADRM CCCc1c(NC(=O)C[C@@H](C)CC(=O)[O-])cnn1-c1cccc(C)c1 ZINC000910657653 1039005244 /nfs/dbraw/zinc/00/52/44/1039005244.db2.gz GONBSKKBIGTADX-CQSZACIVSA-N -1 0 343.427 3.573 20 0 EHADRM CC(C)c1sc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)nc1C(=O)[O-] ZINC000910696140 1039025439 /nfs/dbraw/zinc/02/54/39/1039025439.db2.gz CJSGOBFFUDNJGK-RYUDHWBXSA-N -1 0 348.399 3.846 20 0 EHADRM CCCc1occc1C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910723707 1039031531 /nfs/dbraw/zinc/03/15/31/1039031531.db2.gz ZOHQXPXWUWNKQD-GFCCVEGCSA-N -1 0 348.424 3.673 20 0 EHADRM O=C([O-])c1nc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)sc1C1CC1 ZINC000910736115 1039044493 /nfs/dbraw/zinc/04/44/93/1039044493.db2.gz MGHCSHUDEQXYJH-RYUDHWBXSA-N -1 0 346.383 3.600 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)/C=C\c2ccsc2)nc1C(=O)[O-] ZINC000910719330 1039056756 /nfs/dbraw/zinc/05/67/56/1039056756.db2.gz HXWDLCFAQZWMDK-QMAVJUDZSA-N -1 0 348.449 3.588 20 0 EHADRM Cc1nc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc(C2CC2)n1 ZINC000485430448 1039057280 /nfs/dbraw/zinc/05/72/80/1039057280.db2.gz JQXREQNDFCJQEQ-UHFFFAOYSA-N -1 0 345.468 3.761 20 0 EHADRM Cc1ccc(NCc2ccc(C(=O)[O-])cn2)cc1NC(=O)C(C)(C)C ZINC000905724942 1039061571 /nfs/dbraw/zinc/06/15/71/1039061571.db2.gz QDOIWJUDGXITSQ-UHFFFAOYSA-N -1 0 341.411 3.685 20 0 EHADRM C[C@@H](Oc1ccc(CN[C@H](C)c2c(F)cccc2F)cc1)C(=O)[O-] ZINC000905728387 1039064186 /nfs/dbraw/zinc/06/41/86/1039064186.db2.gz RQYXQAFRFXOQAN-VXGBXAGGSA-N -1 0 335.350 3.668 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-][C@H](c2cccc(C)c2)C(F)(F)F)s1 ZINC000512421208 1039084120 /nfs/dbraw/zinc/08/41/20/1039084120.db2.gz IBEUEBSITUUWQM-CYBMUJFWSA-N -1 0 349.399 3.947 20 0 EHADRM CCSCc1ccccc1C(=O)Nc1nc(C(=O)[O-])c(C)s1 ZINC000910781378 1039089319 /nfs/dbraw/zinc/08/93/19/1039089319.db2.gz UNUGKVYMGWQWBQ-UHFFFAOYSA-N -1 0 336.438 3.655 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2Cl)cc1 ZINC000500648795 1039116069 /nfs/dbraw/zinc/11/60/69/1039116069.db2.gz IUTBVVQJNUKRSD-VXGBXAGGSA-N -1 0 333.746 3.920 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1CCCc2c(O)cccc21 ZINC000910966868 1039164406 /nfs/dbraw/zinc/16/44/06/1039164406.db2.gz VINXOQIJYHDIIR-INIZCTEOSA-N -1 0 339.391 3.711 20 0 EHADRM CSc1ccc(NC(=O)c2c(C)[nH]nc2C(C)C)cc1C(=O)[O-] ZINC000910947043 1039167779 /nfs/dbraw/zinc/16/77/79/1039167779.db2.gz ZZKPHAPYQIWPQC-UHFFFAOYSA-N -1 0 333.413 3.514 20 0 EHADRM CCOCCC1(C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)CCC1 ZINC000910946970 1039168108 /nfs/dbraw/zinc/16/81/08/1039168108.db2.gz XKFIBFVREITTNH-UHFFFAOYSA-N -1 0 337.441 3.642 20 0 EHADRM CCN(C(=O)c1ccc(OC)c(C2CC2)c1)c1cccc(C(=O)[O-])c1 ZINC000910968532 1039172210 /nfs/dbraw/zinc/17/22/10/1039172210.db2.gz RRPZFQWRPLEEPL-UHFFFAOYSA-N -1 0 339.391 3.938 20 0 EHADRM C[C@@H]1CSC[C@H]1N=c1[n-]c(C(F)(F)F)c(Br)s1 ZINC000418975979 1039192871 /nfs/dbraw/zinc/19/28/71/1039192871.db2.gz ULBUUOIKTSGVTG-RFZPGFLSSA-N -1 0 347.225 3.510 20 0 EHADRM CCOc1cc(NC(=O)c2c(C)ccc(C)c2C(=O)[O-])ccc1OC ZINC000393148011 1039196077 /nfs/dbraw/zinc/19/60/77/1039196077.db2.gz GYQZZKHALKCYBP-UHFFFAOYSA-N -1 0 343.379 3.661 20 0 EHADRM O=C([O-])c1cnc([C@H]2CCN(C(=O)C3CC4(C3)CCCCC4)C2)s1 ZINC000911045767 1039213110 /nfs/dbraw/zinc/21/31/10/1039213110.db2.gz DUUCIZKKBVLLNZ-LBPRGKRZSA-N -1 0 348.468 3.518 20 0 EHADRM CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)CCCC1CC1 ZINC000905985139 1039222796 /nfs/dbraw/zinc/22/27/96/1039222796.db2.gz DHLRYGWYBKWWNM-UHFFFAOYSA-N -1 0 339.457 3.511 20 0 EHADRM CC(C)CN(C)C(=O)N1CC[C@H](C2(C(=O)[O-])CC2)c2ccccc21 ZINC000906000058 1039229715 /nfs/dbraw/zinc/22/97/15/1039229715.db2.gz SFFIUSPIJHKWCW-HNNXBMFYSA-N -1 0 330.428 3.553 20 0 EHADRM CCNc1ccc(C(=O)[O-])cc1NC(=O)C[C@H]1CCO[C@@H](C(C)C)C1 ZINC000911085353 1039242094 /nfs/dbraw/zinc/24/20/94/1039242094.db2.gz STZUHPJUISPCJI-SUMWQHHRSA-N -1 0 348.443 3.596 20 0 EHADRM CC(C)c1csc(CNC(=O)c2cc(F)cc(Cl)c2[O-])n1 ZINC000164278252 1039243299 /nfs/dbraw/zinc/24/32/99/1039243299.db2.gz GBBCEOFIUXHMBW-UHFFFAOYSA-N -1 0 328.796 3.695 20 0 EHADRM CCCCn1ncc([N-]S(=O)(=O)c2ccc(C)s2)c1C(C)C ZINC000480197155 1039280842 /nfs/dbraw/zinc/28/08/42/1039280842.db2.gz GLCUCFPZTNBFNL-UHFFFAOYSA-N -1 0 341.502 3.977 20 0 EHADRM Cc1cc(NC(=O)c2ccc(/C=C\C(=O)[O-])o2)ccc1N1CCCC1 ZINC000911213760 1039286497 /nfs/dbraw/zinc/28/64/97/1039286497.db2.gz ANWROCSJBQTZRP-TWGQIWQCSA-N -1 0 340.379 3.538 20 0 EHADRM CC[C@@H](C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC000236972141 1039288678 /nfs/dbraw/zinc/28/86/78/1039288678.db2.gz XSNREKKBZDZSCS-KWCYVHTRSA-N -1 0 343.345 3.569 20 0 EHADRM C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000554407734 1039312070 /nfs/dbraw/zinc/31/20/70/1039312070.db2.gz UUBBNWFOXHZKLF-NWDGAFQWSA-N -1 0 348.472 3.899 20 0 EHADRM Cc1noc(C)c1[C@@H](C)C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000237499721 1039343883 /nfs/dbraw/zinc/34/38/83/1039343883.db2.gz UACMKGJPDLWKDB-MRVPVSSYSA-N -1 0 344.392 3.947 20 0 EHADRM Cc1ccc(CNC(=O)c2ccccc2S[C@H](C)C(=O)[O-])c(C)c1 ZINC000237377581 1039353649 /nfs/dbraw/zinc/35/36/49/1039353649.db2.gz FYFSKEDXSLSNRG-CQSZACIVSA-N -1 0 343.448 3.799 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000237400279 1039358788 /nfs/dbraw/zinc/35/87/88/1039358788.db2.gz GYVJLSARZZJMSU-KDOFPFPSSA-N -1 0 343.448 3.890 20 0 EHADRM Cc1ncc(-c2ccccc2)cc1NC(=O)C(C)(C)CCC(=O)[O-] ZINC000911430410 1039361014 /nfs/dbraw/zinc/36/10/14/1039361014.db2.gz NKQDUYUJEQXEOB-UHFFFAOYSA-N -1 0 326.396 3.887 20 0 EHADRM Cc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000237607849 1039368363 /nfs/dbraw/zinc/36/83/63/1039368363.db2.gz DSSWZBZELNBDHV-HNNXBMFYSA-N -1 0 335.762 3.733 20 0 EHADRM COc1cc(Cl)c(NC(=O)CC2CCC(C(=O)[O-])CC2)cc1C ZINC000911467815 1039372762 /nfs/dbraw/zinc/37/27/62/1039372762.db2.gz VCSJOZZHAFEKFP-UHFFFAOYSA-N -1 0 339.819 3.877 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@@H]1CSc2ccccc21 ZINC000237655937 1039405113 /nfs/dbraw/zinc/40/51/13/1039405113.db2.gz RAGOERNEMOVOIY-CVEARBPZSA-N -1 0 341.432 3.517 20 0 EHADRM COc1cc(OC(F)F)ccc1-c1ccc([C@H](OC)C(=O)[O-])s1 ZINC000906245463 1039406160 /nfs/dbraw/zinc/40/61/60/1039406160.db2.gz JZPGLURHMFISEP-ZDUSSCGKSA-N -1 0 344.335 3.797 20 0 EHADRM Cc1c(C(=O)Nc2nc(CC(=O)[O-])cs2)oc2c1c(C)ccc2C ZINC000237666725 1039406916 /nfs/dbraw/zinc/40/69/16/1039406916.db2.gz VEDMQHIACVFTSQ-UHFFFAOYSA-N -1 0 344.392 3.694 20 0 EHADRM Cc1ccccc1C(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000237680778 1039412462 /nfs/dbraw/zinc/41/24/62/1039412462.db2.gz IVPWFMKECORBOY-OAHLLOKOSA-N -1 0 335.762 3.733 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)CCCC1CCCCC1)c1ccncc1 ZINC000911616691 1039438320 /nfs/dbraw/zinc/43/83/20/1039438320.db2.gz HKRCKZSYMGQEGX-LJQANCHMSA-N -1 0 332.444 3.638 20 0 EHADRM CCCc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccncc2)ccc1Cl ZINC000911665220 1039446657 /nfs/dbraw/zinc/44/66/57/1039446657.db2.gz ZZCWOALCYNDJNW-INIZCTEOSA-N -1 0 346.814 3.633 20 0 EHADRM C[C@H](NC(=O)NCCC(C)(C)C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000390087691 1039460744 /nfs/dbraw/zinc/46/07/44/1039460744.db2.gz UTJVCKPVLUINFO-VIFPVBQESA-N -1 0 347.242 3.855 20 0 EHADRM COc1ccc(C(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)c(O)c1 ZINC000156029349 1039475597 /nfs/dbraw/zinc/47/55/97/1039475597.db2.gz SBSGFMKEIZVCJR-LBPRGKRZSA-N -1 0 338.363 3.547 20 0 EHADRM O=C([O-])CCN(C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C1CC1 ZINC000238046052 1039479259 /nfs/dbraw/zinc/47/92/59/1039479259.db2.gz GBDWGSLHFZNACD-OLZOCXBDSA-N -1 0 342.222 3.563 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NCC(C)(C)C(F)(F)F)C(=O)[O-] ZINC000911744777 1039482794 /nfs/dbraw/zinc/48/27/94/1039482794.db2.gz YFXRFMYAGFSZSH-VIFPVBQESA-N -1 0 349.374 3.570 20 0 EHADRM O=C([O-])CCCCCNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000238148249 1039500867 /nfs/dbraw/zinc/50/08/67/1039500867.db2.gz VBTNCTRRCHWVAH-NWDGAFQWSA-N -1 0 344.238 3.858 20 0 EHADRM O=C([O-])CCCCNC(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1 ZINC000238183542 1039506239 /nfs/dbraw/zinc/50/62/39/1039506239.db2.gz WDZSZMDCAAOWQO-FNORWQNLSA-N -1 0 349.736 3.743 20 0 EHADRM FC(F)(F)c1n[n-]c(=N[C@@H]2CCC[C@@H]2OCc2ccccc2)s1 ZINC000480445652 1039563233 /nfs/dbraw/zinc/56/32/33/1039563233.db2.gz NYBOADDUPPGUPZ-NEPJUHHUSA-N -1 0 343.374 3.529 20 0 EHADRM CC(C)(C)[C@H]1CCCN(C(=O)N=c2[n-]nc(-c3ccco3)s2)C1 ZINC000431931300 1039567632 /nfs/dbraw/zinc/56/76/32/1039567632.db2.gz OGTZYRSTXPRIMJ-NSHDSACASA-N -1 0 334.445 3.510 20 0 EHADRM O=S(=O)([N-]c1nc2c(ccc(F)c2F)s1)c1ccc(F)cc1 ZINC000500851021 1039588203 /nfs/dbraw/zinc/58/82/03/1039588203.db2.gz FCFUZELJEWLWKG-UHFFFAOYSA-N -1 0 344.339 3.514 20 0 EHADRM CO[C@H](C)c1nc(=Nc2ccc(C(=O)OC(C)(C)C)c(C)c2)s[n-]1 ZINC000554687365 1039609621 /nfs/dbraw/zinc/60/96/21/1039609621.db2.gz YTIGSUBWHTZWGI-LLVKDONJSA-N -1 0 349.456 3.675 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C2CC2)cc1C ZINC000554689490 1039610938 /nfs/dbraw/zinc/61/09/38/1039610938.db2.gz LCMLYLAABYVUAM-UHFFFAOYSA-N -1 0 347.484 3.834 20 0 EHADRM C/C=C/c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)cc1 ZINC000554689218 1039611447 /nfs/dbraw/zinc/61/14/47/1039611447.db2.gz GEQGAPPOMWRZIQ-ONEGZZNKSA-N -1 0 337.422 3.589 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F)cc1 ZINC000554702744 1039626791 /nfs/dbraw/zinc/62/67/91/1039626791.db2.gz BESUSMRWSGQBJQ-CYBMUJFWSA-N -1 0 337.407 3.782 20 0 EHADRM O=S(=O)([N-]c1cccc2c1CCO2)c1cc(Cl)ccc1Cl ZINC000478695403 1039630693 /nfs/dbraw/zinc/63/06/93/1039630693.db2.gz CIDOQSWMOSFLGM-UHFFFAOYSA-N -1 0 344.219 3.729 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C)Cc2ccccc2F)cc(C(=O)[O-])c1C ZINC000485930862 1039701053 /nfs/dbraw/zinc/70/10/53/1039701053.db2.gz HOVOHNOOTVLPTP-LBPRGKRZSA-N -1 0 329.371 3.958 20 0 EHADRM O=C([O-])Cn1ccc2cc(NC(=O)c3ccc4c(c3)CCCC4)ccc21 ZINC000485942529 1039705747 /nfs/dbraw/zinc/70/57/47/1039705747.db2.gz SKOJCDJCEZZKLK-UHFFFAOYSA-N -1 0 348.402 3.857 20 0 EHADRM Nc1ccc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)cc1Cl ZINC001212121601 1039779349 /nfs/dbraw/zinc/77/93/49/1039779349.db2.gz NRACEHRJQVFHGA-UHFFFAOYSA-N -1 0 333.196 3.566 20 0 EHADRM Cc1ccc(-c2cccc(CO[C@H]3CCOC3)c2)cc1CC(=O)[O-] ZINC000570411245 1039796340 /nfs/dbraw/zinc/79/63/40/1039796340.db2.gz MIZYOYIIPDQACQ-IBGZPJMESA-N -1 0 326.392 3.595 20 0 EHADRM O=C([O-])c1ccc2oc(/C=C\c3cnc4ccc(Cl)cn34)nc2c1 ZINC000486104015 1039880466 /nfs/dbraw/zinc/88/04/66/1039880466.db2.gz OXBPKTDCOURPEC-UTCJRWHESA-N -1 0 339.738 3.998 20 0 EHADRM CCOCCOCc1cccc(N=c2nc(C(C)(C)C)[n-]s2)c1 ZINC000489375796 1039910314 /nfs/dbraw/zinc/91/03/14/1039910314.db2.gz VMKULFHEYNBOAS-UHFFFAOYSA-N -1 0 335.473 3.554 20 0 EHADRM CC(/C=C/c1cc(=O)n2[nH]cnc2n1)=C/c1cccc(C(F)(F)F)c1 ZINC000486143584 1039918232 /nfs/dbraw/zinc/91/82/32/1039918232.db2.gz HEBNGICFPFLDIF-VLHCFCLRSA-N -1 0 346.312 3.553 20 0 EHADRM C[C@H](N=c1nc(C(F)(F)F)[n-]s1)c1cccc(OC(F)F)c1 ZINC000553279969 1039933791 /nfs/dbraw/zinc/93/37/91/1039933791.db2.gz MWYVWPLCZAFHCK-LURJTMIESA-N -1 0 339.289 3.753 20 0 EHADRM O=C([O-])[C@@H](NCc1cnc(C2CCCC2)s1)c1cccc(F)c1 ZINC000417555182 1039998732 /nfs/dbraw/zinc/99/87/32/1039998732.db2.gz LIOMRMMPLPBSNR-HNNXBMFYSA-N -1 0 334.416 3.855 20 0 EHADRM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2c(C)cccc2F)n[nH]1 ZINC000479147872 1039999125 /nfs/dbraw/zinc/99/91/25/1039999125.db2.gz MBMASYTZSZSONV-UHFFFAOYSA-N -1 0 345.399 3.633 20 0 EHADRM COCCOCc1ccc(CNc2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC000417569116 1040003864 /nfs/dbraw/zinc/00/38/64/1040003864.db2.gz PUJKXHJCNKHAKA-UHFFFAOYSA-N -1 0 343.423 3.777 20 0 EHADRM Cn1cc(-c2nc3ccccc3c(-c3ccccc3)c2CC(=O)[O-])cn1 ZINC000479180371 1040020522 /nfs/dbraw/zinc/02/05/22/1040020522.db2.gz CBFZHGUYDPZIEP-UHFFFAOYSA-N -1 0 343.386 3.929 20 0 EHADRM CCc1ccc([C@H](NCc2ncc(C(C)(C)C)s2)C(=O)[O-])cc1 ZINC000417580345 1040028100 /nfs/dbraw/zinc/02/81/00/1040028100.db2.gz DYJNNTYLFISZTG-INIZCTEOSA-N -1 0 332.469 3.919 20 0 EHADRM CC[C@H]([NH2+]Cc1ccc(-c2cccc(Br)c2)o1)C(=O)[O-] ZINC000417584690 1040033906 /nfs/dbraw/zinc/03/39/06/1040033906.db2.gz YCOYCZVBGVWCKQ-ZDUSSCGKSA-N -1 0 338.201 3.662 20 0 EHADRM Cn1cc(CNc2ccc(CC(=O)[O-])cc2)c(C2CCCCC2)n1 ZINC000417592137 1040046036 /nfs/dbraw/zinc/04/60/36/1040046036.db2.gz XWTPRLZTLKQAKH-UHFFFAOYSA-N -1 0 327.428 3.707 20 0 EHADRM CC[C@@H](Cc1ccc(NCc2cc(OC)cc(C)n2)cc1)C(=O)[O-] ZINC000417606988 1040057981 /nfs/dbraw/zinc/05/79/81/1040057981.db2.gz FMNKIIRVPQMNIH-HNNXBMFYSA-N -1 0 328.412 3.664 20 0 EHADRM CCc1cc(C(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)sc1C ZINC000486371651 1040094675 /nfs/dbraw/zinc/09/46/75/1040094675.db2.gz GFNBCHNRALSYIK-OAHLLOKOSA-N -1 0 331.437 3.526 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NCc2ncc(C(F)(F)F)s2)c2ccccc21 ZINC000417628967 1040106871 /nfs/dbraw/zinc/10/68/71/1040106871.db2.gz PQYLBXQIWHEOCE-MNOVXSKESA-N -1 0 342.342 3.565 20 0 EHADRM CCC(C)(C)c1ccccc1C(=O)N[C@H](CC1(OC)CCC1)C(=O)[O-] ZINC000907693202 1040131634 /nfs/dbraw/zinc/13/16/34/1040131634.db2.gz JUNKESQCPYDCTF-MRXNPFEDSA-N -1 0 347.455 3.516 20 0 EHADRM Cc1n[n-]c(=NCC2(c3cc(C(F)(F)F)ccc3Cl)CC2)o1 ZINC000553526990 1040165231 /nfs/dbraw/zinc/16/52/31/1040165231.db2.gz IVAWIWDVLAHMHE-UHFFFAOYSA-N -1 0 331.725 3.616 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cccc(OCC(C)C)c2)c1 ZINC000512571711 1040187783 /nfs/dbraw/zinc/18/77/83/1040187783.db2.gz FRDWDSHFLFHNDD-UHFFFAOYSA-N -1 0 327.380 3.882 20 0 EHADRM COc1cccc(O)c1C(=O)N1CCC(F)(c2ccccc2)CC1 ZINC000907830836 1040191922 /nfs/dbraw/zinc/19/19/22/1040191922.db2.gz ZNNJTAKWVBLEID-UHFFFAOYSA-N -1 0 329.371 3.502 20 0 EHADRM CC(C)(C)c1ccc(CN=c2[n-]nc(C3CCOCC3)s2)cc1 ZINC000555138230 1040223237 /nfs/dbraw/zinc/22/32/37/1040223237.db2.gz OTZLBYQWDLGFHV-UHFFFAOYSA-N -1 0 331.485 3.764 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@H]12 ZINC000907929527 1040224589 /nfs/dbraw/zinc/22/45/89/1040224589.db2.gz KHWRZHWVLAYFEI-TXFQPVFDSA-N -1 0 347.411 3.578 20 0 EHADRM CCn1c(-c2ccc3ccccc3c2)n[n-]c1=Nc1c(C)nn(C)c1C ZINC000555181944 1040247902 /nfs/dbraw/zinc/24/79/02/1040247902.db2.gz ONNPNUMRMUJWHP-UHFFFAOYSA-N -1 0 346.438 3.634 20 0 EHADRM CC(C)C(=O)c1ccc([C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)cc1 ZINC000908033373 1040272829 /nfs/dbraw/zinc/27/28/29/1040272829.db2.gz MJHOIGZUVXQLFI-CJNGLKHVSA-N -1 0 347.455 3.634 20 0 EHADRM COc1cccc(CN(C)Cc2nc(=O)c3sccc3[n-]2)c1Cl ZINC000660292964 1040275736 /nfs/dbraw/zinc/27/57/36/1040275736.db2.gz NFSVYEFMRCJKSN-UHFFFAOYSA-N -1 0 349.843 3.691 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N(C)c2cccc(CC(=O)[O-])c2)o1 ZINC000908076204 1040287218 /nfs/dbraw/zinc/28/72/18/1040287218.db2.gz CWIDCUJLBDLYDK-DYVFJYSZSA-N -1 0 341.407 3.626 20 0 EHADRM Cc1ccc(C(C)(C)C(=O)N(C)c2cccc(CC(=O)[O-])c2)cc1 ZINC000908079619 1040290225 /nfs/dbraw/zinc/29/02/25/1040290225.db2.gz XSINCBAOTRRFJF-UHFFFAOYSA-N -1 0 325.408 3.563 20 0 EHADRM CN(C(=O)c1cccc(OC(C)(C)C)c1)c1cccc(CC(=O)[O-])c1 ZINC000908079123 1040291085 /nfs/dbraw/zinc/29/10/85/1040291085.db2.gz HWVHTLYLKAKIJL-UHFFFAOYSA-N -1 0 341.407 3.768 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1cccc(COC(C)C)c1 ZINC000479505902 1040313641 /nfs/dbraw/zinc/31/36/41/1040313641.db2.gz WPCBUHURXPJWBM-UHFFFAOYSA-N -1 0 337.416 3.860 20 0 EHADRM CCC(CC)c1n[n-]c(=NCc2ccc(OC)c(OC)c2C)s1 ZINC000490066959 1040334767 /nfs/dbraw/zinc/33/47/67/1040334767.db2.gz KWELFBUOXAOSCA-UHFFFAOYSA-N -1 0 335.473 3.801 20 0 EHADRM O=C([O-])c1ccc2cc(CCNC(=O)C[C@H]3C=CCCC3)oc2c1 ZINC000908222238 1040346261 /nfs/dbraw/zinc/34/62/61/1040346261.db2.gz URMUPBILVAYEPC-ZDUSSCGKSA-N -1 0 327.380 3.536 20 0 EHADRM CC(C)c1nc(/C=C/c2csc(C(F)(F)F)n2)ncc1C(=O)[O-] ZINC000899356305 1040365468 /nfs/dbraw/zinc/36/54/68/1040365468.db2.gz JIJRPWQARKZRRB-ONEGZZNKSA-N -1 0 343.330 3.944 20 0 EHADRM CC(C)(C)OC(=O)N1CCC(c2cc(=O)n(C3CCCCC3)[n-]2)CC1 ZINC000899348829 1040367712 /nfs/dbraw/zinc/36/77/12/1040367712.db2.gz MCGNXUZLTFRRET-UHFFFAOYSA-N -1 0 349.475 3.555 20 0 EHADRM COC(=O)/C(=C/c1cc(C(=O)[O-])c(C)o1)c1nc(C(C)(C)C)cs1 ZINC000899364743 1040379260 /nfs/dbraw/zinc/37/92/60/1040379260.db2.gz HJGMWAJNOLPMIX-KPKJPENVSA-N -1 0 349.408 3.754 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1c[nH]cc1-c1ccccc1)CC1CCCC1 ZINC000908280993 1040381495 /nfs/dbraw/zinc/38/14/95/1040381495.db2.gz CBDRQPXXKZTCLF-INIZCTEOSA-N -1 0 340.423 3.693 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)C[C@H]2CCc3ccccc32)CCC1 ZINC000908343082 1040402758 /nfs/dbraw/zinc/40/27/58/1040402758.db2.gz VRCPZLYUGNZJGQ-MRXNPFEDSA-N -1 0 329.440 3.648 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 ZINC000908364257 1040411727 /nfs/dbraw/zinc/41/17/27/1040411727.db2.gz CPPLDEIFGTYNRP-CJNGLKHVSA-N -1 0 349.858 3.911 20 0 EHADRM COc1ccc(CCCCCC(=O)N[C@@H]2CC[C@H](CC(=O)[O-])C2)cc1 ZINC000908367357 1040415718 /nfs/dbraw/zinc/41/57/18/1040415718.db2.gz RDJLOKBSRQWYHL-DLBZAZTESA-N -1 0 347.455 3.558 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@H]2c2cccc3ccccc32)C1 ZINC000908376509 1040421139 /nfs/dbraw/zinc/42/11/39/1040421139.db2.gz YINYZPIAAQIARV-UVDFWXMISA-N -1 0 337.419 3.703 20 0 EHADRM CC[C@H]1CC[C@H](NC(=O)c2ccc(Br)c(O)c2)CC1 ZINC000479623085 1040456327 /nfs/dbraw/zinc/45/63/27/1040456327.db2.gz UHDVUGCVCZQGSF-UMSPYCQHSA-N -1 0 326.234 3.853 20 0 EHADRM O=C(N=c1cc(C(F)(F)F)[n-][nH]1)C(c1ccccc1)c1ccccc1 ZINC000479638018 1040468052 /nfs/dbraw/zinc/46/80/52/1040468052.db2.gz ZKWSNKBDCNYVKO-UHFFFAOYSA-N -1 0 345.324 3.621 20 0 EHADRM O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)Nc1ccc2c(c1)C=CCCC2 ZINC000908626424 1040537702 /nfs/dbraw/zinc/53/77/02/1040537702.db2.gz AWPTVLAROFMCGW-UAGQMJEPSA-N -1 0 326.396 3.506 20 0 EHADRM CCc1ccc(C)nc1NC(=O)N(CC(=O)[O-])[C@@H](C)c1ccccc1 ZINC000908643636 1040550390 /nfs/dbraw/zinc/55/03/90/1040550390.db2.gz JEYHNAPALKORNQ-AWEZNQCLSA-N -1 0 341.411 3.632 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)Nc1ccc(-c2ccccc2)cn1)C1CCC1 ZINC000908654904 1040559851 /nfs/dbraw/zinc/55/98/51/1040559851.db2.gz LYVMNJYOHDBZJM-CYBMUJFWSA-N -1 0 339.395 3.608 20 0 EHADRM CCc1cccnc1NC(=O)N(CC(=O)[O-])[C@H](CC)c1ccccc1 ZINC000908670399 1040567150 /nfs/dbraw/zinc/56/71/50/1040567150.db2.gz ZFTFPUHFOXUXPH-MRXNPFEDSA-N -1 0 341.411 3.714 20 0 EHADRM COc1cc2c(cc1NC(=O)[C@H](C(=O)[O-])C(C)C)oc1ccccc12 ZINC000908693995 1040578778 /nfs/dbraw/zinc/57/87/78/1040578778.db2.gz TYWCJTZYZXQLBL-QGZVFWFLSA-N -1 0 341.363 3.890 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccc2ccccc2c1)c1cccc(F)c1 ZINC000042233050 1040579929 /nfs/dbraw/zinc/57/99/29/1040579929.db2.gz JUZMANYIQGHRBS-UHFFFAOYSA-N -1 0 329.352 3.672 20 0 EHADRM C[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)Nc1cc(C2CC2)ccn1 ZINC000908672635 1040584189 /nfs/dbraw/zinc/58/41/89/1040584189.db2.gz ATLMALVCORZBTL-CYBMUJFWSA-N -1 0 339.395 3.639 20 0 EHADRM CCCCCCOCC(=O)Nc1cccc(O)c1Br ZINC000908713172 1040606631 /nfs/dbraw/zinc/60/66/31/1040606631.db2.gz QMFVVYJPHRILKM-UHFFFAOYSA-N -1 0 330.222 3.690 20 0 EHADRM O=C([O-])C12CCC(C(=O)Nc3cccc(-c4nccs4)c3)(CC1)C2 ZINC000908739591 1040621212 /nfs/dbraw/zinc/62/12/12/1040621212.db2.gz GROSKHVJOZQJEK-UHFFFAOYSA-N -1 0 342.420 3.784 20 0 EHADRM O=C([O-])C12CCC(C(=O)NC[C@H]3CCCc4ccccc43)(CC1)CC2 ZINC000908726797 1040628607 /nfs/dbraw/zinc/62/86/07/1040628607.db2.gz LWEJOBLOAJKGSP-YMTQGWHGSA-N -1 0 341.451 3.648 20 0 EHADRM C[C@@H](NC(=O)c1ccccc1CCC(=O)[O-])C(C)(C)c1ccccc1 ZINC000908775503 1040631989 /nfs/dbraw/zinc/63/19/89/1040631989.db2.gz ZTSYQXJXXULBNE-OAHLLOKOSA-N -1 0 339.435 3.800 20 0 EHADRM CCC[C@@H]1[C@H](C)CCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000500159445 1040640683 /nfs/dbraw/zinc/64/06/83/1040640683.db2.gz UXRLOUFITDMDCR-CZUORRHYSA-N -1 0 345.418 3.758 20 0 EHADRM CSc1nc(=NC(=O)c2ccc([C@@H](C)C(F)(F)F)cc2)s[n-]1 ZINC000411276391 1040641957 /nfs/dbraw/zinc/64/19/57/1040641957.db2.gz MBTHVKJBVKBZLP-SSDOTTSWSA-N -1 0 347.387 3.600 20 0 EHADRM CC(C)(CC(=O)[O-])NC(=O)c1sc2cccc(F)c2c1Cl ZINC000909014351 1040739798 /nfs/dbraw/zinc/73/97/98/1040739798.db2.gz UJHUNWNYBXDMEZ-UHFFFAOYSA-N -1 0 329.780 3.677 20 0 EHADRM O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1cc(F)c([O-])c(Cl)c1 ZINC000192488616 1040827468 /nfs/dbraw/zinc/82/74/68/1040827468.db2.gz GJZAGJCUENRHJI-CZUORRHYSA-N -1 0 349.789 3.835 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C2C[C@H]3CC[C@@H](C2)S3)cc1 ZINC000909288212 1040908872 /nfs/dbraw/zinc/90/88/72/1040908872.db2.gz HSBDPJVJJZITIZ-PHTAMDTFSA-N -1 0 333.453 3.662 20 0 EHADRM CSc1cc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c(C)o1 ZINC000909290866 1040911223 /nfs/dbraw/zinc/91/12/23/1040911223.db2.gz ZMMCGJDTXYUXEB-UHFFFAOYSA-N -1 0 333.409 3.924 20 0 EHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)c1ccc([C@H](C)C(F)(F)F)cc1 ZINC000909686242 1040951297 /nfs/dbraw/zinc/95/12/97/1040951297.db2.gz CTGBSPRLFXARFP-MEDUHNTESA-N -1 0 345.361 3.972 20 0 EHADRM CO[C@H](C)c1nc(C)c(C(=O)Nc2ccc3[n-]c(=S)oc3c2)s1 ZINC000163700060 1040996609 /nfs/dbraw/zinc/99/66/09/1040996609.db2.gz GPMRJTTZEOVINS-MRVPVSSYSA-N -1 0 349.437 3.841 20 0 EHADRM CCOc1c(F)cccc1C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000237024672 1041015006 /nfs/dbraw/zinc/01/50/06/1041015006.db2.gz RGIXLEYPFCWQFA-DHZHZOJOSA-N -1 0 329.327 3.575 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)CC[C@H]2CCc3ccccc32)s1 ZINC000909850096 1041027079 /nfs/dbraw/zinc/02/70/79/1041027079.db2.gz AQNSWIPRPAQWPV-CYBMUJFWSA-N -1 0 329.421 3.573 20 0 EHADRM CN(C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000555709308 1041029839 /nfs/dbraw/zinc/02/98/39/1041029839.db2.gz AFITYFMJNFZWKW-DZJNRPSUSA-N -1 0 344.455 3.813 20 0 EHADRM COc1cccc2c1[C@@H](C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1)CC2 ZINC000909834701 1041031143 /nfs/dbraw/zinc/03/11/43/1041031143.db2.gz NIAPVABBXNBIMH-WBMJQRKESA-N -1 0 339.391 3.552 20 0 EHADRM Cc1nc(CC2CC2)sc1C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000909833331 1041031767 /nfs/dbraw/zinc/03/17/67/1041031767.db2.gz HTPJLWZLTRRJNB-SNVBAGLBSA-N -1 0 344.436 3.844 20 0 EHADRM CC1(C)C[C@H](c2ccccc2)N(C(=O)c2ccoc2CC(=O)[O-])C1 ZINC000909872099 1041041284 /nfs/dbraw/zinc/04/12/84/1041041284.db2.gz VBMWXNQLZKCRRY-OAHLLOKOSA-N -1 0 327.380 3.520 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cc1)c1cc(Br)ccc1F ZINC000500319281 1041049296 /nfs/dbraw/zinc/04/92/96/1041049296.db2.gz WDPSPMKSKAWIFW-UHFFFAOYSA-N -1 0 348.168 3.528 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])C[C@@H]1C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000899769636 1041082746 /nfs/dbraw/zinc/08/27/46/1041082746.db2.gz FMOPAGQLILHKRM-DNVCBOLYSA-N -1 0 340.379 3.559 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])C[C@H]1C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000899769638 1041083772 /nfs/dbraw/zinc/08/37/72/1041083772.db2.gz FMOPAGQLILHKRM-KXBFYZLASA-N -1 0 340.379 3.559 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000899763613 1041090131 /nfs/dbraw/zinc/09/01/31/1041090131.db2.gz FQGSKTBHUJBSKI-WCQYABFASA-N -1 0 343.370 3.602 20 0 EHADRM C[C@@H](C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000652066792 1041094369 /nfs/dbraw/zinc/09/43/69/1041094369.db2.gz WSZZZCXWYCBWKO-TZMCWYRMSA-N -1 0 337.847 3.793 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)C[C@@H](C(=O)[O-])c2ccc(C)cc2)c1 ZINC000899765300 1041094662 /nfs/dbraw/zinc/09/46/62/1041094662.db2.gz CVAWKWHMFKLXMN-RDTXWAMCSA-N -1 0 341.407 3.899 20 0 EHADRM Cc1ccc([C@H](CC(=O)Nc2ccc3c(c2)CCCO3)C(=O)[O-])cc1 ZINC000899768237 1041097146 /nfs/dbraw/zinc/09/71/46/1041097146.db2.gz XKYHCUBIMWPCIH-KRWDZBQOSA-N -1 0 339.391 3.517 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000899767509 1041097245 /nfs/dbraw/zinc/09/72/45/1041097245.db2.gz XRMJPPGBVQDJCJ-CYBMUJFWSA-N -1 0 336.407 3.501 20 0 EHADRM Cc1ccc([C@@H](CC(=O)Nc2ccc3c(c2)CCCO3)C(=O)[O-])cc1 ZINC000899768238 1041097817 /nfs/dbraw/zinc/09/78/17/1041097817.db2.gz XKYHCUBIMWPCIH-QGZVFWFLSA-N -1 0 339.391 3.517 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(OC(C)C)cc1F ZINC000899767441 1041098215 /nfs/dbraw/zinc/09/82/15/1041098215.db2.gz RHMYLPCNIGEEOM-LBPRGKRZSA-N -1 0 325.380 3.688 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1cccc(Br)c1F ZINC000899792386 1041117808 /nfs/dbraw/zinc/11/78/08/1041117808.db2.gz OKJYDKJAWBKFEK-SECBINFHSA-N -1 0 346.196 3.664 20 0 EHADRM C[C@@H](NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-])c1cccc(C2CC2)c1 ZINC000899785375 1041121285 /nfs/dbraw/zinc/12/12/85/1041121285.db2.gz GOOHPPRRRWJRFX-NEWQXWLQSA-N -1 0 339.435 3.654 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N(Cc2cccs2)C2CC2)C(=O)[O-])cc1 ZINC000899799191 1041137155 /nfs/dbraw/zinc/13/71/55/1041137155.db2.gz PHOSFTXLXNOBAG-QGZVFWFLSA-N -1 0 343.448 3.806 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N([C@H](C)c2ccco2)C2CC2)C(=O)[O-])cc1 ZINC000899802618 1041140965 /nfs/dbraw/zinc/14/09/65/1041140965.db2.gz GCLZDSHGOSVTOI-RHSMWYFYSA-N -1 0 341.407 3.899 20 0 EHADRM CCC(=O)c1ccc(NC(=O)C[C@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000899795054 1041146274 /nfs/dbraw/zinc/14/62/74/1041146274.db2.gz RZQKCJLJUUVSKK-KRWDZBQOSA-N -1 0 339.391 3.785 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000910012274 1041149439 /nfs/dbraw/zinc/14/94/39/1041149439.db2.gz OFQIJILSTMSYGS-WCQYABFASA-N -1 0 343.345 3.522 20 0 EHADRM O=C([O-])c1csc([C@@H]2CCCN2C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)n1 ZINC000910104183 1041192011 /nfs/dbraw/zinc/19/20/11/1041192011.db2.gz POYSRHGDECMNPK-MYZSUADSSA-N -1 0 348.468 3.721 20 0 EHADRM CC[C@@H](CC(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])cs1)C(C)(C)C ZINC000910104719 1041192936 /nfs/dbraw/zinc/19/29/36/1041192936.db2.gz SZGDZLXDRDYCOI-WCQYABFASA-N -1 0 338.473 3.967 20 0 EHADRM C/C(=C/C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])cs1)c1cccs1 ZINC000910102627 1041193187 /nfs/dbraw/zinc/19/31/87/1041193187.db2.gz KJDANCYBEFGKNI-VPUINMBXSA-N -1 0 348.449 3.670 20 0 EHADRM C[C@H]1CC(C(=O)N2CCC[C@H]2c2nc(C(=O)[O-])cs2)C[C@H](C)C1 ZINC000910111275 1041194190 /nfs/dbraw/zinc/19/41/90/1041194190.db2.gz ZUDKQPGFCYMXKV-GYSYKLTISA-N -1 0 336.457 3.577 20 0 EHADRM O=C([O-])c1csc([C@H]2CCCN2C(=O)CC2CCCCCC2)n1 ZINC000910114569 1041197528 /nfs/dbraw/zinc/19/75/28/1041197528.db2.gz NVCNVXDNWMWJCC-CQSZACIVSA-N -1 0 336.457 3.865 20 0 EHADRM CO[C@@H](C)c1nc(=NC2CC(F)(c3cccc(Cl)c3)C2)s[n-]1 ZINC000509880603 1041406383 /nfs/dbraw/zinc/40/63/83/1041406383.db2.gz MVSLWJADCFEMRV-AAYUTKSQSA-N -1 0 341.839 3.760 20 0 EHADRM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000511730369 1041484712 /nfs/dbraw/zinc/48/47/12/1041484712.db2.gz RFYVSYXJMJFQDG-NSHDSACASA-N -1 0 341.379 3.943 20 0 EHADRM C[C@]1(NC(=O)C[C@H]2CCCc3ccccc32)CCCC[C@@H]1C(=O)[O-] ZINC000432109985 1041604289 /nfs/dbraw/zinc/60/42/89/1041604289.db2.gz UXCPTFYTVPZKLI-MDYRTPRTSA-N -1 0 329.440 3.646 20 0 EHADRM Cc1ccc(OCCCC(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])cc1C ZINC000432112760 1041608966 /nfs/dbraw/zinc/60/89/66/1041608966.db2.gz DBBSGISBALRDCK-FXAWDEMLSA-N -1 0 347.455 3.612 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@@H]2CCC(C)C)cc(C)c1OCC(=O)[O-] ZINC000432122111 1041619800 /nfs/dbraw/zinc/61/98/00/1041619800.db2.gz JHSMUIWEOPVVNY-QGZVFWFLSA-N -1 0 347.455 3.808 20 0 EHADRM Cc1cccc([C@H](C)C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000432126748 1041626205 /nfs/dbraw/zinc/62/62/05/1041626205.db2.gz OLZXSENQQCTIAI-QFBILLFUSA-N -1 0 339.435 3.691 20 0 EHADRM Cc1ccc(CCCCC(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])cc1 ZINC000432134608 1041635871 /nfs/dbraw/zinc/63/58/71/1041635871.db2.gz UVEYSAYIRJIAGK-FXAWDEMLSA-N -1 0 331.456 3.858 20 0 EHADRM Cc1ccc(SCCC(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])cc1 ZINC000432137971 1041641007 /nfs/dbraw/zinc/64/10/07/1041641007.db2.gz HNHGCLSZBOPPRA-YJBOKZPZSA-N -1 0 335.469 3.627 20 0 EHADRM N#C/C(=C/c1cc(Cl)cs1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000195223976 1041709623 /nfs/dbraw/zinc/70/96/23/1041709623.db2.gz PQNLIPWHOWWNGT-YHYXMXQVSA-N -1 0 332.768 3.645 20 0 EHADRM COCc1cccc([N-]S(=O)(=O)c2cc(C)ccc2Cl)c1 ZINC000123950013 1041978065 /nfs/dbraw/zinc/97/80/65/1041978065.db2.gz YHNCTUBSRWEPQG-UHFFFAOYSA-N -1 0 325.817 3.596 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)c2nsc3ccc(C)cc32)s1 ZINC000549537391 1042005182 /nfs/dbraw/zinc/00/51/82/1042005182.db2.gz BMRPTMZHUXKJNV-UHFFFAOYSA-N -1 0 346.481 3.863 20 0 EHADRM COC(=O)c1ccc(C)c(NC(=O)c2cc(F)c([O-])c(Cl)c2)c1 ZINC000184179153 1042180081 /nfs/dbraw/zinc/18/00/81/1042180081.db2.gz SQQNMDFAXNJMKO-UHFFFAOYSA-N -1 0 337.734 3.532 20 0 EHADRM O=C([O-])CCC1CCN(c2ncc(Cl)cc2Br)CC1 ZINC000662882294 1042182593 /nfs/dbraw/zinc/18/25/93/1042182593.db2.gz BGSVNKKVSQNMJX-UHFFFAOYSA-N -1 0 347.640 3.579 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1c1nccc2cc(C(F)(F)F)ccc21 ZINC000662894048 1042204637 /nfs/dbraw/zinc/20/46/37/1042204637.db2.gz RRFQEXDQJMGQRB-PWSUYJOCSA-N -1 0 338.329 3.943 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1c1nnc(-c2ccccc2Cl)s1 ZINC000662893815 1042205513 /nfs/dbraw/zinc/20/55/13/1042205513.db2.gz PAGQFODUBHLXJP-NXEZZACHSA-N -1 0 337.832 3.548 20 0 EHADRM O=C(Nc1ccc(Br)cc1)c1cc(=O)c2ccccc2[n-]1 ZINC000052634094 1042304664 /nfs/dbraw/zinc/30/46/64/1042304664.db2.gz FOXWEJOBLMCOCV-UHFFFAOYSA-N -1 0 343.180 3.543 20 0 EHADRM CCOc1cc(NC(=O)CC2(CC(=O)[O-])CCCCC2)ccc1OC ZINC000048383533 1042333000 /nfs/dbraw/zinc/33/30/00/1042333000.db2.gz RTDJPWBXPYXIPB-UHFFFAOYSA-N -1 0 349.427 3.848 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)C(=O)[O-] ZINC000663026005 1042356464 /nfs/dbraw/zinc/35/64/64/1042356464.db2.gz DPKAFEKLLPLXJC-IJLUTSLNSA-N -1 0 337.382 3.751 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)C2CCC(C3CC3)CC2)c2ccccc21 ZINC000663054875 1042401351 /nfs/dbraw/zinc/40/13/51/1042401351.db2.gz RSDUNPRYYQIKRU-VMBOVVBDSA-N -1 0 327.424 3.808 20 0 EHADRM CCC[C@H]1CCC[C@H]1C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000663058179 1042406409 /nfs/dbraw/zinc/40/64/09/1042406409.db2.gz SELXYOFCZUYOLK-HPBDAGMYSA-N -1 0 329.440 3.530 20 0 EHADRM Clc1ccc2c(c1Cl)OC[C@H]2N=c1[n-]nc(C2CC2)s1 ZINC000432242647 1042412126 /nfs/dbraw/zinc/41/21/26/1042412126.db2.gz MWADJHUJMICLQS-SECBINFHSA-N -1 0 328.224 3.690 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)c1oc(C(=O)[O-])cc1C ZINC000909394119 1042468658 /nfs/dbraw/zinc/46/86/58/1042468658.db2.gz XLTRZXKBVSHNDN-UHFFFAOYSA-N -1 0 331.368 3.845 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)CCCc2ccc(C)cc2)n1 ZINC000659185305 1042468764 /nfs/dbraw/zinc/46/87/64/1042468764.db2.gz NXBBZABUNCESNI-INIZCTEOSA-N -1 0 343.427 3.579 20 0 EHADRM O=C([O-])c1ccc(CN2CC[C@@H](Oc3ccccc3Cl)C2)c(F)c1 ZINC000652435307 1042475704 /nfs/dbraw/zinc/47/57/04/1042475704.db2.gz ZXMBHTFVEFTOJJ-CQSZACIVSA-N -1 0 349.789 3.831 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663146167 1042491001 /nfs/dbraw/zinc/49/10/01/1042491001.db2.gz DEZTWIXSAFXIMG-ZDUSSCGKSA-N -1 0 341.860 3.683 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C(=O)c1ccoc1CC(=O)[O-])C1CC1 ZINC000909399821 1042501622 /nfs/dbraw/zinc/50/16/22/1042501622.db2.gz FMHIISBBVBMDAU-LLVKDONJSA-N -1 0 347.798 3.926 20 0 EHADRM O=C(Nc1cccc(NC(=O)c2c([O-])cccc2F)c1)c1ccoc1 ZINC000184497013 1042563770 /nfs/dbraw/zinc/56/37/70/1042563770.db2.gz DHBYJLQCYNQMKA-UHFFFAOYSA-N -1 0 340.310 3.629 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000662225522 1042618545 /nfs/dbraw/zinc/61/85/45/1042618545.db2.gz ANNYSTUXYVFTCQ-UHFFFAOYSA-N -1 0 336.819 3.928 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1cnc2ccccc2n1 ZINC000185473029 1042634871 /nfs/dbraw/zinc/63/48/71/1042634871.db2.gz BLFXSVGDCIEECZ-UHFFFAOYSA-N -1 0 334.162 3.895 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-] ZINC000601984827 1042654044 /nfs/dbraw/zinc/65/40/44/1042654044.db2.gz TYRIXZHOVWUUNU-UWVGGRQHSA-N -1 0 343.876 3.998 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[N@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000062877058 1042682507 /nfs/dbraw/zinc/68/25/07/1042682507.db2.gz IKPPXCDQTATNDZ-HNNXBMFYSA-N -1 0 332.227 3.559 20 0 EHADRM COc1ccccc1C[C@@H](NC(=O)c1cc(F)c([O-])c(F)c1)C(C)C ZINC000186848732 1042714041 /nfs/dbraw/zinc/71/40/41/1042714041.db2.gz LQPLTYDIMDXKOE-MRXNPFEDSA-N -1 0 349.377 3.676 20 0 EHADRM COc1ccccc1C[C@H](NC(=O)c1cc(F)c([O-])c(F)c1)C(C)C ZINC000186848751 1042714165 /nfs/dbraw/zinc/71/41/65/1042714165.db2.gz LQPLTYDIMDXKOE-INIZCTEOSA-N -1 0 349.377 3.676 20 0 EHADRM CCc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)oc1CC ZINC000659194464 1042731322 /nfs/dbraw/zinc/73/13/22/1042731322.db2.gz UEYFIFFATDCBSV-QLFBSQMISA-N -1 0 333.428 3.510 20 0 EHADRM CSc1ccc(C)c(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)c1 ZINC000663350550 1042739429 /nfs/dbraw/zinc/73/94/29/1042739429.db2.gz CCTHKGRCXRDMLG-ZDUSSCGKSA-N -1 0 338.473 3.975 20 0 EHADRM Cc1cc2ccccc2c(NC(=O)NC[C@@H](C(=O)[O-])C2CCC2)c1 ZINC000663356725 1042750137 /nfs/dbraw/zinc/75/01/37/1042750137.db2.gz UGUKWPVHPWUNEL-MRXNPFEDSA-N -1 0 326.396 3.771 20 0 EHADRM C[C@H](C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccc(Cl)s1 ZINC000653331282 1042881924 /nfs/dbraw/zinc/88/19/24/1042881924.db2.gz PCFRBHDSBVSYKR-TVYUQYBPSA-N -1 0 349.839 3.934 20 0 EHADRM O=C([O-])[C@@H](CC(=O)NC[C@@H](c1ccccc1)C1CC1)c1ccccc1 ZINC000644847684 1042967333 /nfs/dbraw/zinc/96/73/33/1042967333.db2.gz RCQHNPMFKPGXHF-OALUTQOASA-N -1 0 337.419 3.555 20 0 EHADRM CC(C)(CC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC000653331647 1042967600 /nfs/dbraw/zinc/96/76/00/1042967600.db2.gz UUFRZLMPVSCRBK-MSOLQXFVSA-N -1 0 337.419 3.784 20 0 EHADRM C[C@H](CC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21)c1cccc(F)c1 ZINC000653331722 1042968529 /nfs/dbraw/zinc/96/85/29/1042968529.db2.gz VKPSBSOSLXBUTK-UUWFMWQGSA-N -1 0 341.382 3.749 20 0 EHADRM O=S(=O)([N-]c1cnccc1-c1ccccc1)c1ccc(F)c(F)c1 ZINC000432350570 1042986148 /nfs/dbraw/zinc/98/61/48/1042986148.db2.gz CUTADVMNZXXPFV-UHFFFAOYSA-N -1 0 346.358 3.828 20 0 EHADRM FC(F)(F)c1ccccc1[C@@H]1C[C@@H]1N=c1[n-]nc(C2CC2)s1 ZINC000432350309 1042986689 /nfs/dbraw/zinc/98/66/89/1042986689.db2.gz YGZWFBWLQZTRIG-JQWIXIFHSA-N -1 0 325.359 3.824 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NCc1csc(-c2ccccn2)n1 ZINC000319753370 1043030829 /nfs/dbraw/zinc/03/08/29/1043030829.db2.gz UWHDHMWFFGWFOL-UHFFFAOYSA-N -1 0 325.393 3.824 20 0 EHADRM Cc1noc(C(C)C)c1C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1 ZINC000077879573 1043076278 /nfs/dbraw/zinc/07/62/78/1043076278.db2.gz KANTVZGIPHSQOP-LBPRGKRZSA-N -1 0 336.413 3.502 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N[C@H]2c3ccccc3O[C@@H]2C)s1 ZINC000344298473 1043619950 /nfs/dbraw/zinc/61/99/50/1043619950.db2.gz DUYAYTRYHGPVDH-QMTHXVAHSA-N -1 0 346.456 3.507 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccccc1SC(F)(F)F ZINC000319956521 1043813091 /nfs/dbraw/zinc/81/30/91/1043813091.db2.gz HUNUHFUIXPSFAY-NXEZZACHSA-N -1 0 345.342 3.904 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CC(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000647759980 1043830071 /nfs/dbraw/zinc/83/00/71/1043830071.db2.gz QINAXHLAIXQVQY-DDBAPUKQSA-N -1 0 329.440 3.530 20 0 EHADRM COc1ccccc1CN(C(=O)c1cc(F)c([O-])c(Cl)c1)C1CC1 ZINC000187298281 1043932592 /nfs/dbraw/zinc/93/25/92/1043932592.db2.gz MJMCWIXWAWADAU-UHFFFAOYSA-N -1 0 349.789 3.998 20 0 EHADRM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)N=c1[n-]nc(C(F)F)s1 ZINC000348923508 1044117646 /nfs/dbraw/zinc/11/76/46/1044117646.db2.gz WWRRCZLTUJCKQQ-RKDXNWHRSA-N -1 0 332.420 3.576 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NCc1cc(Cl)c2c(c1)OCCO2 ZINC000320190686 1044245684 /nfs/dbraw/zinc/24/56/84/1044245684.db2.gz PHYGISUPRJDHMN-UHFFFAOYSA-N -1 0 333.771 3.730 20 0 EHADRM O=C([O-])[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000324457997 1044401967 /nfs/dbraw/zinc/40/19/67/1044401967.db2.gz FWELZNHHMRJOHR-INIZCTEOSA-N -1 0 326.352 3.560 20 0 EHADRM CC[C@@H](C)[C@@H](C(=O)NCc1nc(C)c(C(=O)[O-])s1)c1ccccc1 ZINC000324631543 1044489921 /nfs/dbraw/zinc/48/99/21/1044489921.db2.gz GBVXYAMCCXLZRK-IAQYHMDHSA-N -1 0 346.452 3.596 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc(Cl)sc1Cl ZINC000261599877 1044494123 /nfs/dbraw/zinc/49/41/23/1044494123.db2.gz VOXCTUFMLKPZLD-SFGNSQDASA-N -1 0 348.251 3.913 20 0 EHADRM O=C(N=c1[n-]nc([C@H]2CCCc3ccccc32)s1)c1cccs1 ZINC000432627033 1044539372 /nfs/dbraw/zinc/53/93/72/1044539372.db2.gz ORNQSHREWYLBJE-ZDUSSCGKSA-N -1 0 341.461 3.742 20 0 EHADRM O=C([O-])C1(CC(=O)N(Cc2ccco2)Cc2cccs2)CCC1 ZINC000261608510 1044623513 /nfs/dbraw/zinc/62/35/13/1044623513.db2.gz AQTXAFWEPHKDRL-UHFFFAOYSA-N -1 0 333.409 3.515 20 0 EHADRM Cc1[nH]nc(C(=O)N2CCC[C@@]2(C)Cc2cccc3ccccc32)c1[O-] ZINC000620589469 1125602095 /nfs/dbraw/zinc/60/20/95/1125602095.db2.gz RXZAGSBSAJLOMM-NRFANRHFSA-N -1 0 349.434 3.814 20 0 EHADRM Cc1cc(C)cc(C[C@H](NCc2csc(C(C)C)n2)C(=O)[O-])c1 ZINC001255793251 1126160352 /nfs/dbraw/zinc/16/03/52/1126160352.db2.gz ISFXYQKAQKUYDI-INIZCTEOSA-N -1 0 332.469 3.669 20 0 EHADRM CC(C)(C)Cc1csc(NC(=O)c2s[n-]c(=O)c2Cl)n1 ZINC000622487044 1126709042 /nfs/dbraw/zinc/70/90/42/1126709042.db2.gz NKIJSJTYMRNGAE-UHFFFAOYSA-N -1 0 331.850 3.800 20 0 EHADRM Cc1ccc(C)c(SCC(=O)N(CC(=O)[O-])c2ccccc2)c1 ZINC000336865899 1126813196 /nfs/dbraw/zinc/81/31/96/1126813196.db2.gz ZOWKGZMOLJGLAX-UHFFFAOYSA-N -1 0 329.421 3.513 20 0 EHADRM CCC(=O)Nc1ccc(C)c(NC(=O)CC(CC)(CC)C(=O)[O-])c1 ZINC000336877621 1126814311 /nfs/dbraw/zinc/81/43/11/1126814311.db2.gz ROOKJKNPHKQMFS-UHFFFAOYSA-N -1 0 334.416 3.563 20 0 EHADRM O=C(N[C@@H](C(F)F)C1CCCCC1)c1cc(F)c(F)c([O-])c1F ZINC000623046310 1126865666 /nfs/dbraw/zinc/86/56/66/1126865666.db2.gz OVTFBBGHSLXJFH-GFCCVEGCSA-N -1 0 337.288 3.753 20 0 EHADRM CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1cccc(C(F)F)c1 ZINC000780402886 1126899877 /nfs/dbraw/zinc/89/98/77/1126899877.db2.gz WWDCFYDEODNCIY-UHFFFAOYSA-N -1 0 343.326 3.767 20 0 EHADRM COCCCOc1ccc(C(=O)Nc2cccc(Cl)c2[O-])cc1 ZINC000176156970 1126905806 /nfs/dbraw/zinc/90/58/06/1126905806.db2.gz JIJGCAKKXZEFIX-UHFFFAOYSA-N -1 0 335.787 3.713 20 0 EHADRM COC(=O)c1cccc(NC(=O)c2ccc3[n-]c(=S)oc3c2)c1C ZINC000072865958 1126908388 /nfs/dbraw/zinc/90/83/88/1126908388.db2.gz DSNPUKHSTPRBJV-UHFFFAOYSA-N -1 0 342.376 3.838 20 0 EHADRM Cc1cc(NC(=O)c2cc(F)c(F)c([O-])c2F)c(C)c(C)c1O ZINC000185718370 1126992866 /nfs/dbraw/zinc/99/28/66/1126992866.db2.gz YYCVIGBZEPSUJS-UHFFFAOYSA-N -1 0 325.286 3.693 20 0 EHADRM Cc1nscc1C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000181252433 1127271620 /nfs/dbraw/zinc/27/16/20/1127271620.db2.gz IKIUNBQPXDYJKI-UHFFFAOYSA-N -1 0 347.621 3.825 20 0 EHADRM COc1ccccc1CCN(C)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000073390919 1127362126 /nfs/dbraw/zinc/36/21/26/1127362126.db2.gz RNYGQZVSAQIPCJ-UHFFFAOYSA-N -1 0 342.420 3.814 20 0 EHADRM Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000183348129 1127373586 /nfs/dbraw/zinc/37/35/86/1127373586.db2.gz MXRBKDBSWCPDDV-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM Cc1cc(Cl)cc(NC(=O)c2cc(F)c(F)c([O-])c2F)c1O ZINC000183526452 1127379652 /nfs/dbraw/zinc/37/96/52/1127379652.db2.gz BNWRVZNVXWSSSR-UHFFFAOYSA-N -1 0 331.677 3.729 20 0 EHADRM Cc1ccc(-c2cc(C(=O)OCc3nccn3-c3ccccc3)n[nH]2)o1 ZINC000764378189 1127487680 /nfs/dbraw/zinc/48/76/80/1127487680.db2.gz RTJQTKXQALQMBL-UHFFFAOYSA-N -1 0 348.362 3.521 20 0 EHADRM CON(C(=O)c1ccc([O-])c(Cl)c1)[C@H]1CCCOc2ccccc21 ZINC000764672933 1127521291 /nfs/dbraw/zinc/52/12/91/1127521291.db2.gz UCYYSWRYBFKDBW-HNNXBMFYSA-N -1 0 347.798 3.963 20 0 EHADRM CC[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C)s1)C1CCC(C)CC1 ZINC000764754239 1127528595 /nfs/dbraw/zinc/52/85/95/1127528595.db2.gz UOTKXVHBASHSLB-UBHUBRDASA-N -1 0 343.514 3.714 20 0 EHADRM O=C(NCCc1ccc(F)cc1Cl)c1cc(F)c(F)c([O-])c1F ZINC000542658992 1127665357 /nfs/dbraw/zinc/66/53/57/1127665357.db2.gz BDXHTPBDZYGRFL-UHFFFAOYSA-N -1 0 347.695 3.575 20 0 EHADRM Cc1oc(C)c(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)c1C ZINC000671667146 1127792715 /nfs/dbraw/zinc/79/27/15/1127792715.db2.gz JEXGJRKCKXTCCZ-UHFFFAOYSA-N -1 0 329.396 3.712 20 0 EHADRM CC(C)N(Cc1ccc(F)cc1)C(=O)c1s[n-]c(=O)c1Cl ZINC001626945969 1127882869 /nfs/dbraw/zinc/88/28/69/1127882869.db2.gz VOADGSJLOPQVKQ-UHFFFAOYSA-N -1 0 328.796 3.692 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@H](CC1CC1)C(=O)[O-] ZINC000347510194 1128025024 /nfs/dbraw/zinc/02/50/24/1128025024.db2.gz CNIHTSVKFIUZBC-LKFCYVNXSA-N -1 0 344.238 3.542 20 0 EHADRM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2ccccc2OC)c1 ZINC000057126247 1128037779 /nfs/dbraw/zinc/03/77/79/1128037779.db2.gz MNTRFESIKJXSCH-ZDUSSCGKSA-N -1 0 335.425 3.673 20 0 EHADRM CCCCc1nnc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)s1 ZINC000059241317 1128089116 /nfs/dbraw/zinc/08/91/16/1128089116.db2.gz RAKPCSWCQKKHBT-UHFFFAOYSA-N -1 0 339.486 3.607 20 0 EHADRM Cc1ccccc1NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000063911006 1128160348 /nfs/dbraw/zinc/16/03/48/1128160348.db2.gz BIKFWIXWQTYAOD-UHFFFAOYSA-N -1 0 333.306 3.954 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnn(C(C)C)c2)cc1C(F)(F)F ZINC000066585398 1128221505 /nfs/dbraw/zinc/22/15/05/1128221505.db2.gz IELIESCKXQZVGW-UHFFFAOYSA-N -1 0 347.362 3.592 20 0 EHADRM O=C(Nc1nc(-c2ccccn2)cs1)c1cc(=O)c2ccccc2[n-]1 ZINC000066968701 1128230886 /nfs/dbraw/zinc/23/08/86/1128230886.db2.gz XDLQXLXMSYUULG-UHFFFAOYSA-N -1 0 348.387 3.711 20 0 EHADRM CC[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)c1nc2ccccc2[nH]1 ZINC000067179771 1128236498 /nfs/dbraw/zinc/23/64/98/1128236498.db2.gz BHWKTVONGLDKRX-GFCCVEGCSA-N -1 0 329.787 3.803 20 0 EHADRM COc1c(Cl)cccc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000067456340 1128241170 /nfs/dbraw/zinc/24/11/70/1128241170.db2.gz OBYWNGWKGARRIC-UHFFFAOYSA-N -1 0 325.792 3.712 20 0 EHADRM O=C(c1sccc1Cl)N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000671774124 1128345143 /nfs/dbraw/zinc/34/51/43/1128345143.db2.gz PHKCMRCQGBTMOQ-UHFFFAOYSA-N -1 0 349.839 3.842 20 0 EHADRM Cc1ccc(NC(=O)c2c(C)cccc2O)c(OC[C@H]2CCCO2)c1 ZINC000624562770 1128394525 /nfs/dbraw/zinc/39/45/25/1128394525.db2.gz FSETXOJPEMOUEV-OAHLLOKOSA-N -1 0 341.407 3.819 20 0 EHADRM COc1ccc(-c2nc(-c3ccc4[n-]c(=S)sc4c3)no2)cn1 ZINC001212396769 1128423560 /nfs/dbraw/zinc/42/35/60/1128423560.db2.gz LIJKLFMMPNMIOM-UHFFFAOYSA-N -1 0 342.405 3.706 20 0 EHADRM CC(C)[C@H](CNC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)[O-] ZINC000387848540 1128433209 /nfs/dbraw/zinc/43/32/09/1128433209.db2.gz IDAXBNYWASTLJI-JTQLQIEISA-N -1 0 343.807 3.780 20 0 EHADRM Cc1cccc(CO[N-]C(=O)[C@H](C)Oc2cc(C(C)C)ccc2C)n1 ZINC001168633511 1128514850 /nfs/dbraw/zinc/51/48/50/1128514850.db2.gz DSJQRUCHJBOINF-INIZCTEOSA-N -1 0 342.439 3.837 20 0 EHADRM CCCc1ccc(CNc2cc(C(F)(F)F)c(C(=O)[O-])nn2)cc1 ZINC001168635785 1128526472 /nfs/dbraw/zinc/52/64/72/1128526472.db2.gz RMOXGBBBGDTTND-UHFFFAOYSA-N -1 0 339.317 3.758 20 0 EHADRM C(C[C@H]1CCCCO1)Sc1n[n-]c(=NC2CCCCC2)s1 ZINC000542720172 1128560039 /nfs/dbraw/zinc/56/00/39/1128560039.db2.gz MYNUQYVNMIPBOI-CYBMUJFWSA-N -1 0 327.519 3.756 20 0 EHADRM CC(C)(C)CCCS(=O)(=O)[N-]CC(F)(F)c1cccc(F)c1 ZINC001212428595 1128573614 /nfs/dbraw/zinc/57/36/14/1128573614.db2.gz FEJZSORHLMNCIK-UHFFFAOYSA-N -1 0 337.407 3.663 20 0 EHADRM Cc1nc([C@H](C)NC(=O)CC/C=C\c2ccccc2)sc1C(=O)[O-] ZINC000542779686 1128606984 /nfs/dbraw/zinc/60/69/84/1128606984.db2.gz ADNGNJPJPKQCAV-HKBVPSITSA-N -1 0 344.436 3.821 20 0 EHADRM CCO[N-]C(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000057428269 1128639366 /nfs/dbraw/zinc/63/93/66/1128639366.db2.gz WMHXJGSPYFAKGM-JTQLQIEISA-N -1 0 340.832 3.684 20 0 EHADRM CCCCN(C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C1CC1 ZINC000666080490 1128713101 /nfs/dbraw/zinc/71/31/01/1128713101.db2.gz AXLNMBFAFVPVAM-UHFFFAOYSA-N -1 0 333.819 3.636 20 0 EHADRM Clc1ccc2c(c1)[C@H](N=c1[n-]nc(-c3ccon3)s1)CCC2 ZINC000624769033 1128713955 /nfs/dbraw/zinc/71/39/55/1128713955.db2.gz SGQHXGIHAIGIAL-GFCCVEGCSA-N -1 0 332.816 3.758 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)CC(C)(C)C(=O)[O-])cc2)nc1 ZINC000734506360 1131243292 /nfs/dbraw/zinc/24/32/92/1131243292.db2.gz NUHWPOOROFFCQE-UHFFFAOYSA-N -1 0 328.368 3.622 20 0 EHADRM COc1cc(NC(=O)c2cc(F)cc(Cl)c2[O-])cc(OC)c1C ZINC001648829378 1120050791 /nfs/dbraw/zinc/05/07/91/1120050791.db2.gz RGILMXLPKFNCRS-UHFFFAOYSA-N -1 0 339.750 3.763 20 0 EHADRM O=C(Nc1ccc(Br)c(F)c1)c1c([O-])cccc1F ZINC000228855160 1120136617 /nfs/dbraw/zinc/13/66/17/1120136617.db2.gz NJHOTMUZMCQMJZ-UHFFFAOYSA-N -1 0 328.112 3.685 20 0 EHADRM CCOC([O-])=NC(=S)N=c1[nH]cccc1-c1ccccc1Cl ZINC000224945921 1120192490 /nfs/dbraw/zinc/19/24/90/1120192490.db2.gz IEOXYSOSSJORCF-UHFFFAOYSA-N -1 0 335.816 3.845 20 0 EHADRM CC(C)Sc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])cc1 ZINC000263007385 1120313055 /nfs/dbraw/zinc/31/30/55/1120313055.db2.gz PJACORNGWWHAGI-BPUTZDHNSA-N -1 0 333.453 3.512 20 0 EHADRM CC[C@H](NCc1csc(Cl)c1Cl)c1nc(C(=O)[O-])c[nH]1 ZINC000904064449 1120351250 /nfs/dbraw/zinc/35/12/50/1120351250.db2.gz JEILQURWGVQFNC-ZETCQYMHSA-N -1 0 334.228 3.717 20 0 EHADRM CC[C@H](NCc1cnc(-c2cccs2)s1)c1nc(C(=O)[O-])c[nH]1 ZINC000904064810 1120351483 /nfs/dbraw/zinc/35/14/83/1120351483.db2.gz NCHRRIMQDBLEBI-JTQLQIEISA-N -1 0 348.453 3.534 20 0 EHADRM O=S(=O)([N-]c1ccc2[nH]ccc2c1)c1c[nH]c2cccc(F)c21 ZINC000185186088 1120403269 /nfs/dbraw/zinc/40/32/69/1120403269.db2.gz CIUIKXQBRZSLQF-UHFFFAOYSA-N -1 0 329.356 3.589 20 0 EHADRM C[C@](CC(=O)Nc1cc(F)ccc1Cl)(C(=O)[O-])c1ccccc1 ZINC000076393188 1128918585 /nfs/dbraw/zinc/91/85/85/1128918585.db2.gz WDUCBXJWLDYNRC-QGZVFWFLSA-N -1 0 335.762 3.850 20 0 EHADRM CCOc1ccc(OCC)c(NC(=O)CC2(C(=O)[O-])CCCCC2)c1 ZINC000013254320 1128919651 /nfs/dbraw/zinc/91/96/51/1128919651.db2.gz ASTPSAYRYNKFHJ-UHFFFAOYSA-N -1 0 349.427 3.848 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnc(Cl)cc2C)c(Cl)c1 ZINC000153014744 1120525834 /nfs/dbraw/zinc/52/58/34/1120525834.db2.gz IAPLLKYMXPQLOH-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM CCC[C@@H](C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1)C(C)C ZINC000153060870 1120562481 /nfs/dbraw/zinc/56/24/81/1120562481.db2.gz OICRPGSOWVIHJC-QGZVFWFLSA-N -1 0 333.453 3.717 20 0 EHADRM COc1ccc(C(=O)Nc2cccc(Cl)c2[O-])c(OC(F)F)c1 ZINC000190897036 1120653753 /nfs/dbraw/zinc/65/37/53/1120653753.db2.gz JFYDJFIFDABFQO-UHFFFAOYSA-N -1 0 343.713 3.908 20 0 EHADRM CCOc1cc(C(=O)N(C)Cc2ccccc2OC)cc(Cl)c1O ZINC000192989557 1120755283 /nfs/dbraw/zinc/75/52/83/1120755283.db2.gz PIVKOORSHLJUHY-UHFFFAOYSA-N -1 0 349.814 3.725 20 0 EHADRM Cc1ccc(C)c([N-]S(=O)(=O)c2ccccc2OC(F)F)c1 ZINC000195437518 1120784467 /nfs/dbraw/zinc/78/44/67/1120784467.db2.gz GQYFUIXHSSQGID-UHFFFAOYSA-N -1 0 327.352 3.706 20 0 EHADRM CC(C)OCc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC000194034712 1120818038 /nfs/dbraw/zinc/81/80/38/1120818038.db2.gz JBPQXQYRCWPNDC-UHFFFAOYSA-N -1 0 341.379 3.691 20 0 EHADRM CC(C)[C@@H]1N(C(=O)c2cc(=O)[nH]c(C3CC3)n2)CC12CCCCCC2 ZINC000827994345 1128943021 /nfs/dbraw/zinc/94/30/21/1128943021.db2.gz QIINZABINIKUSF-KRWDZBQOSA-N -1 0 343.471 3.881 20 0 EHADRM Cc1c(Br)cccc1NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000227873681 1120921168 /nfs/dbraw/zinc/92/11/68/1120921168.db2.gz QHLOPGZRNOSJQM-UHFFFAOYSA-N -1 0 340.217 3.731 20 0 EHADRM CCC(CC)c1noc(-c2ccc3c(c2)[n-]c(=S)n(CC)c3=O)n1 ZINC000762036895 1121063346 /nfs/dbraw/zinc/06/33/46/1121063346.db2.gz RMSBUCATGNJNEE-UHFFFAOYSA-N -1 0 344.440 3.659 20 0 EHADRM C[C@@H]1CCN(C(=O)c2s[n-]c(=O)c2Cl)C[C@@H]1c1ccccc1 ZINC000915015410 1121103385 /nfs/dbraw/zinc/10/33/85/1121103385.db2.gz RDYFUNLMYQWUBB-PWSUYJOCSA-N -1 0 336.844 3.768 20 0 EHADRM CC(C)(CC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-])c1ccccc1 ZINC000262434530 1121261012 /nfs/dbraw/zinc/26/10/12/1121261012.db2.gz RZWABXKJPPZPCW-UAGQMJEPSA-N -1 0 329.440 3.599 20 0 EHADRM O=C(N[C@H]1COc2ccc(Cl)cc21)c1ccc2[n-]c(=S)oc2c1 ZINC000762548980 1121349471 /nfs/dbraw/zinc/34/94/71/1121349471.db2.gz KDICQHHZYOAEIN-LBPRGKRZSA-N -1 0 346.795 3.633 20 0 EHADRM COC(=O)c1ccc(Nc2cc(F)c(O)c(Cl)c2)c(C(C)=O)c1 ZINC001214489447 1128984097 /nfs/dbraw/zinc/98/40/97/1128984097.db2.gz DYBOFNOBPRWHJB-UHFFFAOYSA-N -1 0 337.734 3.918 20 0 EHADRM CC(C)(C)CCCC(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000236597968 1121457720 /nfs/dbraw/zinc/45/77/20/1121457720.db2.gz SKUOYLPJWGDLCN-UHFFFAOYSA-N -1 0 341.398 3.985 20 0 EHADRM CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000236892543 1121467237 /nfs/dbraw/zinc/46/72/37/1121467237.db2.gz UMYLSNQPQFIPPX-OAHLLOKOSA-N -1 0 331.343 3.628 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)CSc1ccccc1Cl ZINC000237927697 1121499579 /nfs/dbraw/zinc/49/95/79/1121499579.db2.gz AGBZPTXXVYFNAO-LBPRGKRZSA-N -1 0 341.860 3.678 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)NC2(c3ccccc3)CCCC2)cc1 ZINC000238064721 1121501509 /nfs/dbraw/zinc/50/15/09/1121501509.db2.gz MMNUFINSIBZISJ-UHFFFAOYSA-N -1 0 337.419 3.903 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cc1Cl ZINC000238164572 1121504331 /nfs/dbraw/zinc/50/43/31/1121504331.db2.gz MLPNSMBHTULPOU-UHFFFAOYSA-N -1 0 333.746 3.848 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)CC/C=C/c1ccccc1)Cc1ccccc1 ZINC000238156502 1121504698 /nfs/dbraw/zinc/50/46/98/1121504698.db2.gz OPBLMZCJEQJPFK-BQHJZSHBSA-N -1 0 337.419 3.540 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@@H](C)CCc2cccc(F)c2)cc1C(=O)[O-] ZINC000262473654 1121515001 /nfs/dbraw/zinc/51/50/01/1121515001.db2.gz JQPBBYJZQRFHRE-LBPRGKRZSA-N -1 0 347.386 3.653 20 0 EHADRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2[nH]ccc2c1 ZINC000074842339 1121712636 /nfs/dbraw/zinc/71/26/36/1121712636.db2.gz ZRGKPMAMUKGFQZ-UHFFFAOYSA-N -1 0 336.800 3.631 20 0 EHADRM CCOc1ccc(OCC(=O)Nc2cc(Cl)c([O-])cc2F)cc1 ZINC000170210913 1121723106 /nfs/dbraw/zinc/72/31/06/1121723106.db2.gz XKFVGVJDGJDBHT-UHFFFAOYSA-N -1 0 339.750 3.601 20 0 EHADRM CCC[C@H](CC1CCCC1)C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000499555432 1129005780 /nfs/dbraw/zinc/00/57/80/1129005780.db2.gz FDBFVVHIHYUOIW-OAHLLOKOSA-N -1 0 343.427 3.965 20 0 EHADRM C[C@@H]1CCCN(C(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000124071485 1122274457 /nfs/dbraw/zinc/27/44/57/1122274457.db2.gz NTEJSNMJSRULOV-MRVPVSSYSA-N -1 0 332.625 3.680 20 0 EHADRM C/C(=C/C(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1)C1CC1 ZINC000916812987 1122352903 /nfs/dbraw/zinc/35/29/03/1122352903.db2.gz AGCCVRCJKQAGPO-YPKPFQOOSA-N -1 0 347.480 3.896 20 0 EHADRM O=C(CSc1ccc(F)c(Cl)c1)[N-]OCc1ccccc1 ZINC000917233985 1122560579 /nfs/dbraw/zinc/56/05/79/1122560579.db2.gz CRTCZAWISOEYDK-UHFFFAOYSA-N -1 0 325.792 3.819 20 0 EHADRM CN(Cc1c([O-])nnn1-c1ccccc1)Cc1ccc2ccccc2c1 ZINC000497968302 1122711125 /nfs/dbraw/zinc/71/11/25/1122711125.db2.gz RJFKYMJUGHKODK-UHFFFAOYSA-N -1 0 344.418 3.758 20 0 EHADRM CCc1ccc(O)c([N-]S(=O)(=O)c2cc(C)ccc2Cl)c1 ZINC000498018374 1122734926 /nfs/dbraw/zinc/73/49/26/1122734926.db2.gz DGHKXPVTCORABV-UHFFFAOYSA-N -1 0 325.817 3.717 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000262705505 1122744082 /nfs/dbraw/zinc/74/40/82/1122744082.db2.gz JKRPYKICOUOUKX-KZNAEPCWSA-N -1 0 329.440 3.674 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2CCC[C@@H]2Cc2ccccc2Cl)CC1 ZINC000262707560 1122744781 /nfs/dbraw/zinc/74/47/81/1122744781.db2.gz KBDWLJSIKDRGTF-IIAWOOMASA-N -1 0 349.858 3.765 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)c2ccc(-c3cnco3)cc2)cc1 ZINC000918595286 1122861808 /nfs/dbraw/zinc/86/18/08/1122861808.db2.gz OZQSFUJJEGCOCV-XCVCLJGOSA-N -1 0 334.331 3.692 20 0 EHADRM Cc1cc(-c2noc(-c3ncccc3O)n2)ccc1Br ZINC001212480945 1129083770 /nfs/dbraw/zinc/08/37/70/1129083770.db2.gz QVURDFQQWNKSKO-UHFFFAOYSA-N -1 0 332.157 3.575 20 0 EHADRM O=S(=O)(CCC1CCCC1)[N-]c1csc(-c2ccccn2)n1 ZINC000556263275 1122905348 /nfs/dbraw/zinc/90/53/48/1122905348.db2.gz XXTLTKGITJOJPW-UHFFFAOYSA-N -1 0 337.470 3.527 20 0 EHADRM COc1ccc(C)cc1S(=O)(=O)[N-]c1nc2c(cccc2C)s1 ZINC000556720252 1123094528 /nfs/dbraw/zinc/09/45/28/1123094528.db2.gz BHBCWWFGUYWHAD-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM CCCCOc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2)c1 ZINC000919958448 1123247070 /nfs/dbraw/zinc/24/70/70/1123247070.db2.gz MIHXOIAEHSSEDE-UHFFFAOYSA-N -1 0 340.832 3.715 20 0 EHADRM CC(C)Cn1ncc([N-]S(=O)(=O)c2ccc(F)cc2)c1C(C)C ZINC000499273176 1123332360 /nfs/dbraw/zinc/33/23/60/1123332360.db2.gz MOGVWXNVIPXXOY-UHFFFAOYSA-N -1 0 339.436 3.602 20 0 EHADRM Cc1ccc(CNC(=O)c2ccc(C(=O)[O-])o2)c(OCCC(C)C)c1 ZINC000236766739 1123461622 /nfs/dbraw/zinc/46/16/22/1123461622.db2.gz FGHYXHFXOUGFOW-UHFFFAOYSA-N -1 0 345.395 3.641 20 0 EHADRM CC[C@H](NC(=O)C[C@H](C(=O)[O-])c1ccccc1)c1ccc(OC)cc1 ZINC000013467981 1129125833 /nfs/dbraw/zinc/12/58/33/1129125833.db2.gz ARFDSXOLMFIWBC-ROUUACIJSA-N -1 0 341.407 3.521 20 0 EHADRM CC(C)[C@H](NC(=O)C[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000013468941 1129127422 /nfs/dbraw/zinc/12/74/22/1129127422.db2.gz HGJVMYXKAOSNPA-MJGOQNOKSA-N -1 0 325.408 3.758 20 0 EHADRM Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)ccc1C(=O)[O-] ZINC000237821653 1123541143 /nfs/dbraw/zinc/54/11/43/1123541143.db2.gz MHMHABARLCAFML-CABCVRRESA-N -1 0 331.318 3.714 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)cc1C(=O)[O-] ZINC000237934413 1123551119 /nfs/dbraw/zinc/55/11/19/1123551119.db2.gz PJNFXAMQHZHQJD-WIYYLYMNSA-N -1 0 335.403 3.926 20 0 EHADRM CCC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)c1 ZINC000135394051 1123607521 /nfs/dbraw/zinc/60/75/21/1123607521.db2.gz HUWLIHSCLJZXEB-UHFFFAOYSA-N -1 0 339.363 3.667 20 0 EHADRM COc1ccc(-c2csc(CNC(=O)CC(C)(C)C(=O)[O-])c2)cc1 ZINC000263235691 1123635539 /nfs/dbraw/zinc/63/55/39/1123635539.db2.gz BOQIKFYGEVFUSM-UHFFFAOYSA-N -1 0 347.436 3.541 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-] ZINC000263478244 1123890903 /nfs/dbraw/zinc/89/09/03/1123890903.db2.gz UBBZWYGGZLBEFJ-PWSUYJOCSA-N -1 0 325.364 3.733 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)C[C@H]1CCCc2ccccc21 ZINC000237985905 1123933306 /nfs/dbraw/zinc/93/33/06/1123933306.db2.gz QZTFWBUEWXJDPA-IAGOWNOFSA-N -1 0 329.440 3.743 20 0 EHADRM CCSc1n[n-]c(=NC(=O)c2ccc(-c3cccs3)o2)s1 ZINC000543045273 1129155613 /nfs/dbraw/zinc/15/56/13/1129155613.db2.gz LUTNRYQRBKMUEF-UHFFFAOYSA-N -1 0 337.451 3.646 20 0 EHADRM O=C([N-]C1(c2ccc(F)cc2F)CCCC1)C(F)(F)C(F)F ZINC001127588429 1123959375 /nfs/dbraw/zinc/95/93/75/1123959375.db2.gz JRMYGCRUCVJMIE-UHFFFAOYSA-N -1 0 325.252 3.751 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000238101491 1123979531 /nfs/dbraw/zinc/97/95/31/1123979531.db2.gz DAZIYTMUKMWVME-CVEARBPZSA-N -1 0 337.847 3.985 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)c1cccc(-n2cccc2)c1 ZINC000238110026 1123988370 /nfs/dbraw/zinc/98/83/70/1123988370.db2.gz CCNTWOKUHPHXJQ-UHFFFAOYSA-N -1 0 328.412 3.632 20 0 EHADRM CCc1ccc2occ(C(=O)N3CC[C@@](C(=O)[O-])(C(C)C)C3)c2c1 ZINC000263555055 1124091535 /nfs/dbraw/zinc/09/15/35/1124091535.db2.gz YJZFXBNJWAXFDY-IBGZPJMESA-N -1 0 329.396 3.568 20 0 EHADRM C[C@@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)C1(c2ccccc2)CCCC1 ZINC000263571502 1124539184 /nfs/dbraw/zinc/53/91/84/1124539184.db2.gz JLVBNKSTIFKIOU-BRWVUGGUSA-N -1 0 343.467 3.894 20 0 EHADRM Cc1ccc(OCc2ccccc2)c(NC(=O)[C@H]2CC[C@@H]2C(=O)[O-])c1 ZINC000263573173 1124616857 /nfs/dbraw/zinc/61/68/57/1124616857.db2.gz LZRINBNVARBJJL-HOTGVXAUSA-N -1 0 339.391 3.623 20 0 EHADRM O=C([O-])CCCCC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000263583291 1124743474 /nfs/dbraw/zinc/74/34/74/1124743474.db2.gz ZTKJBPQWYYIBEH-MRXNPFEDSA-N -1 0 343.345 3.918 20 0 EHADRM CCCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(C)s1 ZINC000735204239 1131316312 /nfs/dbraw/zinc/31/63/12/1131316312.db2.gz SVFSLYYPZASCLQ-CYBMUJFWSA-N -1 0 331.503 3.858 20 0 EHADRM Nc1cc(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)ccc1F ZINC001212343502 1124906547 /nfs/dbraw/zinc/90/65/47/1124906547.db2.gz KAULUWJHMJTNRP-UHFFFAOYSA-N -1 0 332.356 3.551 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c(O)c1 ZINC000092258648 1125066791 /nfs/dbraw/zinc/06/67/91/1125066791.db2.gz JCKBBXSLRLUJEW-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM O=C(Cc1cccc(Cl)c1)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000070031440 1125163904 /nfs/dbraw/zinc/16/39/04/1125163904.db2.gz UUKQUZFRACZFBX-UHFFFAOYSA-N -1 0 345.754 3.506 20 0 EHADRM COc1ccccc1N=c1[n-]nc(S[C@H]2C[C@@H](C)CCC2=O)s1 ZINC000450635288 1125175826 /nfs/dbraw/zinc/17/58/26/1125175826.db2.gz JPKKVRTWMCQSIF-HZMBPMFUSA-N -1 0 349.481 3.562 20 0 EHADRM Cc1cnc([C@@H](C)C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])s1 ZINC000182171044 1125190249 /nfs/dbraw/zinc/19/02/49/1125190249.db2.gz PHXMXVFOSKUNPU-LBBJYAOWSA-N -1 0 339.804 3.941 20 0 EHADRM CCCC[C@H](CC)CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000735395936 1131339557 /nfs/dbraw/zinc/33/95/57/1131339557.db2.gz JGDRFJRVIDJVLH-LBPRGKRZSA-N -1 0 331.865 3.751 20 0 EHADRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cccc(Cl)n1 ZINC000182583719 1125338545 /nfs/dbraw/zinc/33/85/45/1125338545.db2.gz VWFZTSJBNJYKOG-LBPRGKRZSA-N -1 0 337.766 3.730 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000262135826 1125408514 /nfs/dbraw/zinc/40/85/14/1125408514.db2.gz DLVYTIHJKCEDEA-NRFANRHFSA-N -1 0 337.419 3.927 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)NCC1(c2ccccc2)CCCCC1 ZINC000619968082 1125443696 /nfs/dbraw/zinc/44/36/96/1125443696.db2.gz BQGVNTWFYBUYGR-UHFFFAOYSA-N -1 0 331.456 3.896 20 0 EHADRM CO[C@@H](C(=O)[O-])c1ccccc1-c1ccc(NC(=O)C(C)(C)C)nc1 ZINC000657204919 1129201348 /nfs/dbraw/zinc/20/13/48/1129201348.db2.gz CEFQCBASGXQUKS-MRXNPFEDSA-N -1 0 342.395 3.505 20 0 EHADRM COc1c(F)ccc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])c1F ZINC001212503347 1129210569 /nfs/dbraw/zinc/21/05/69/1129210569.db2.gz JGRKKKFEKXHZNU-UHFFFAOYSA-N -1 0 349.742 3.617 20 0 EHADRM COc1c(Cl)cccc1NC(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000067456329 1129276020 /nfs/dbraw/zinc/27/60/20/1129276020.db2.gz YAIXZHLFKDHUNM-GFCCVEGCSA-N -1 0 333.771 3.546 20 0 EHADRM CC(C)(CNC(=O)c1ccc(C(=O)[O-])cc1F)c1cccc(Cl)c1 ZINC000478862268 1129281844 /nfs/dbraw/zinc/28/18/44/1129281844.db2.gz ZXPJYBCHLPKUIC-UHFFFAOYSA-N -1 0 349.789 3.885 20 0 EHADRM CCCCN(C(=O)c1n[n-]c2ccccc2c1=O)C1CCCCC1 ZINC000735655214 1131370387 /nfs/dbraw/zinc/37/03/87/1131370387.db2.gz BRNYICFJFRUYEV-UHFFFAOYSA-N -1 0 327.428 3.910 20 0 EHADRM CCc1c([N-]c2nnc(-c3ccccn3)s2)cnn1CC(C)C ZINC000673441981 1129409922 /nfs/dbraw/zinc/40/99/22/1129409922.db2.gz XXFWZLNSTXQNEH-UHFFFAOYSA-N -1 0 328.445 3.759 20 0 EHADRM C[C@@H]1CCC[C@H](OCCCCCC(=O)N=c2ccc(C3CC3)n[n-]2)C1 ZINC000499732909 1129430927 /nfs/dbraw/zinc/43/09/27/1129430927.db2.gz QVTFTRMFCUFHPJ-WBVHZDCISA-N -1 0 345.487 3.870 20 0 EHADRM COc1cc(C)ccc1CNC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1 ZINC000466436153 1129445489 /nfs/dbraw/zinc/44/54/89/1129445489.db2.gz FKZXYYQONWODCS-FQEVSTJZSA-N -1 0 347.455 3.681 20 0 EHADRM O=S(=O)([N-]c1cncc2ccccc21)c1ccc(C(F)F)cc1 ZINC000673479468 1129454952 /nfs/dbraw/zinc/45/49/52/1129454952.db2.gz BQOQBHZUYHPLDQ-UHFFFAOYSA-N -1 0 334.347 3.973 20 0 EHADRM Cc1cccc(CSCC(=O)N[C@@H](CC(=O)[O-])c2cccs2)c1 ZINC000013388074 1129519715 /nfs/dbraw/zinc/51/97/15/1129519715.db2.gz GZJSSSZNMHFKNV-AWEZNQCLSA-N -1 0 349.477 3.622 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)N(C)[C@H](C)C3CCCCC3)cc2=O)cc1 ZINC000282393254 1129686555 /nfs/dbraw/zinc/68/65/55/1129686555.db2.gz DTGVKASPDVJZMV-OAHLLOKOSA-N -1 0 341.455 3.515 20 0 EHADRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc2ncsc2c1 ZINC000509066448 1129715932 /nfs/dbraw/zinc/71/59/32/1129715932.db2.gz NHGQVCJEGKTSAO-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccccc1SC ZINC000509099900 1129744957 /nfs/dbraw/zinc/74/49/57/1129744957.db2.gz PFLGBEYSTYUVSF-UHFFFAOYSA-N -1 0 337.466 3.835 20 0 EHADRM C[C@@H](CC(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1)C(F)(F)F ZINC000625455505 1129884639 /nfs/dbraw/zinc/88/46/39/1129884639.db2.gz PJVITDKZASISTK-ZETCQYMHSA-N -1 0 349.765 3.807 20 0 EHADRM CSc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1Cl ZINC000673898837 1129896476 /nfs/dbraw/zinc/89/64/76/1129896476.db2.gz SGMKYCVBYUPBBQ-GHMZBOCLSA-N -1 0 325.817 3.667 20 0 EHADRM CC1(C)C(=O)Nc2cc(Nc3ccc(C(=O)[O-])c(F)c3F)ccc21 ZINC001212515156 1129929161 /nfs/dbraw/zinc/92/91/61/1129929161.db2.gz QPNYXWXTHUXWQG-UHFFFAOYSA-N -1 0 332.306 3.636 20 0 EHADRM Brc1cc(CN=c2[n-]nc(CC3CCCC3)o2)cs1 ZINC000347888764 1129983569 /nfs/dbraw/zinc/98/35/69/1129983569.db2.gz VVOMMFCCRMGVSO-UHFFFAOYSA-N -1 0 342.262 3.660 20 0 EHADRM CCCOc1cccc(CN=c2[n-]nc(Cc3ccsc3)o2)c1 ZINC000347888781 1129983686 /nfs/dbraw/zinc/98/36/86/1129983686.db2.gz VWOUSHQHPKGLQR-UHFFFAOYSA-N -1 0 329.425 3.545 20 0 EHADRM CCc1cccc(CC)c1S(=O)(=O)[N-]c1cc(C2CC2)n(CC)n1 ZINC000674233408 1130032491 /nfs/dbraw/zinc/03/24/91/1130032491.db2.gz JJOHMNDUOOAKBH-UHFFFAOYSA-N -1 0 347.484 3.706 20 0 EHADRM O=C(Cc1csc(-c2ccoc2)n1)Nc1cccc(Cl)c1[O-] ZINC000172409534 1130131250 /nfs/dbraw/zinc/13/12/50/1130131250.db2.gz NVAVPAXIZUEQKX-UHFFFAOYSA-N -1 0 334.784 3.943 20 0 EHADRM O=C(NCc1ccc(O)c(F)c1)N[C@H]1CCc2c1cccc2Cl ZINC000172564697 1130143747 /nfs/dbraw/zinc/14/37/47/1130143747.db2.gz FUWZNVOXTVPLFB-HNNXBMFYSA-N -1 0 334.778 3.671 20 0 EHADRM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc2ccncc21 ZINC000674870326 1130213690 /nfs/dbraw/zinc/21/36/90/1130213690.db2.gz ZXMDBVLECPCCQH-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM CCOc1cc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c(F)cc1F ZINC001212533393 1130299913 /nfs/dbraw/zinc/29/99/13/1130299913.db2.gz HMISLKIPCZYMEO-UHFFFAOYSA-N -1 0 331.322 3.998 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccn([C@@H](C)c2ccccc2)n1 ZINC000675285772 1130300017 /nfs/dbraw/zinc/30/00/17/1130300017.db2.gz ZCZZQRGJMMQTRI-ZDUSSCGKSA-N -1 0 347.465 3.663 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2csc3ccccc32)n1 ZINC000675296988 1130304816 /nfs/dbraw/zinc/30/48/16/1130304816.db2.gz UIECBKJXPDWBNB-UHFFFAOYSA-N -1 0 336.463 3.819 20 0 EHADRM Cc1ccc2c(CC(=O)N(CC(=O)[O-])C3CCCCC3)coc2c1 ZINC000675992402 1130513529 /nfs/dbraw/zinc/51/35/29/1130513529.db2.gz CDEIUNMVYVLLJT-UHFFFAOYSA-N -1 0 329.396 3.530 20 0 EHADRM Cc1ccc(-c2ncc(C(=O)NCCCCCC(=O)[O-])s2)c(C)c1 ZINC000676000697 1130516061 /nfs/dbraw/zinc/51/60/61/1130516061.db2.gz DURQLLAKOUMIGU-UHFFFAOYSA-N -1 0 346.452 3.802 20 0 EHADRM CC(C)Cn1cc(C(=O)NCC2(C(=O)[O-])CCCC2)c2ccccc21 ZINC000676025040 1130518045 /nfs/dbraw/zinc/51/80/45/1130518045.db2.gz IGTMGZVMSFMOLW-UHFFFAOYSA-N -1 0 342.439 3.672 20 0 EHADRM Cc1cn(-c2ccccc2)nc1NC(=O)c1c([O-])cccc1Cl ZINC000730290182 1130695969 /nfs/dbraw/zinc/69/59/69/1130695969.db2.gz NYKKIMUZAUMJEH-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM CC(C)COc1ccc(C2(C(=O)[N-]O[C@@H]3CCCCO3)CCC2)cc1 ZINC000731624394 1130821496 /nfs/dbraw/zinc/82/14/96/1130821496.db2.gz ZEHJBJLMCRNANK-GOSISDBHSA-N -1 0 347.455 3.718 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1n[n-]c2ccccc2c1=O)c1ccccc1 ZINC000731868042 1130855843 /nfs/dbraw/zinc/85/58/43/1130855843.db2.gz JMSXEFKOBIIMEZ-QGZVFWFLSA-N -1 0 335.407 3.853 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)[N-]S(=O)(=O)CCC(C)C ZINC000732511478 1130929581 /nfs/dbraw/zinc/92/95/81/1130929581.db2.gz JYPUHBGKJWLNNS-UHFFFAOYSA-N -1 0 343.832 3.500 20 0 EHADRM O=C(C=C1CCCC1)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000732613431 1130941914 /nfs/dbraw/zinc/94/19/14/1130941914.db2.gz JTDLBCGKLSVXOD-UHFFFAOYSA-N -1 0 341.432 3.659 20 0 EHADRM CCCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000732610469 1130942276 /nfs/dbraw/zinc/94/22/76/1130942276.db2.gz BDMFMIYNPLSPGG-GFCCVEGCSA-N -1 0 346.880 3.537 20 0 EHADRM COc1ccc2nc(/C=C/c3cccc(OCC(=O)[O-])c3)sc2c1 ZINC000733206276 1131012362 /nfs/dbraw/zinc/01/23/62/1131012362.db2.gz FLWJPULOXYQXKR-VMPITWQZSA-N -1 0 341.388 3.939 20 0 EHADRM CC(C)(c1ccccc1)c1ccc(OS(=O)(=O)c2cnc[n-]2)cc1 ZINC000736625444 1131428793 /nfs/dbraw/zinc/42/87/93/1131428793.db2.gz KXXFPSJIUWPKMI-UHFFFAOYSA-N -1 0 342.420 3.503 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccnn2[C@@H](C)C2CC2)c1Cl ZINC000179991035 1131619080 /nfs/dbraw/zinc/61/90/80/1131619080.db2.gz GFTDPQHPOZBUEH-NSHDSACASA-N -1 0 339.848 3.617 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ncc(C(C)(C)C)s2)cnc1Cl ZINC000743047998 1131843288 /nfs/dbraw/zinc/84/32/88/1131843288.db2.gz GNKPJYODHWCPKZ-UHFFFAOYSA-N -1 0 345.877 3.598 20 0 EHADRM Cn1cc(-c2cccc(C(=O)Nc3cccc(Cl)c3[O-])c2)cn1 ZINC000743394674 1131910068 /nfs/dbraw/zinc/91/00/68/1131910068.db2.gz BCNMWZSYLBGICP-UHFFFAOYSA-N -1 0 327.771 3.698 20 0 EHADRM CCCn1ccc2ccc(NC(=O)c3n[n-]c4ccccc4c3=O)cc21 ZINC000743541889 1131944252 /nfs/dbraw/zinc/94/42/52/1131944252.db2.gz DZCVKZWXPKVTMI-UHFFFAOYSA-N -1 0 346.390 3.952 20 0 EHADRM CCOc1ccccc1Nc1ccc(S(=O)(=O)[O-])cc1Cl ZINC001173850473 1132155200 /nfs/dbraw/zinc/15/52/00/1132155200.db2.gz COZOQRRGSDMQGJ-UHFFFAOYSA-N -1 0 327.789 3.729 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)NCC3(C)CCCCCC3)cc2=O)cc1 ZINC000182118551 1132203724 /nfs/dbraw/zinc/20/37/24/1132203724.db2.gz DGEKSRBYYPJYDV-UHFFFAOYSA-N -1 0 341.455 3.564 20 0 EHADRM Cn1ccc2cc(Nc3ccc(Cl)cc3S(=O)(=O)[O-])ccc21 ZINC001174098779 1132227562 /nfs/dbraw/zinc/22/75/62/1132227562.db2.gz PCYQZJMHECHUSE-UHFFFAOYSA-N -1 0 336.800 3.822 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2cncc3ccccc32)c(Cl)c1 ZINC001174102568 1132228306 /nfs/dbraw/zinc/22/83/06/1132228306.db2.gz LRWJSZPDSNVRHA-UHFFFAOYSA-N -1 0 334.784 3.879 20 0 EHADRM CC(C)(C)c1cc(Nc2cccc(/C=C/C(=O)[O-])c2)c(C(N)=O)s1 ZINC001174495826 1132371887 /nfs/dbraw/zinc/37/18/87/1132371887.db2.gz YNVFTUIXRYIRPZ-BQYQJAHWSA-N -1 0 344.436 3.986 20 0 EHADRM Cc1ncc(Br)cc1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174495586 1132372168 /nfs/dbraw/zinc/37/21/68/1132372168.db2.gz UWBGRLGESYQOOE-AATRIKPKSA-N -1 0 333.185 3.994 20 0 EHADRM CC1(C)Cc2cc(Nc3cccc(/C=C/C(=O)[O-])c3)ccc2C(=O)N1 ZINC001174498690 1132373220 /nfs/dbraw/zinc/37/32/20/1132373220.db2.gz HOJFGCDDFYOTDE-RMKNXTFCSA-N -1 0 336.391 3.593 20 0 EHADRM COc1ccc(Cn2cc([N-]c3nnc(C(C)(C)C)o3)c(C)n2)cc1 ZINC001174576777 1132405134 /nfs/dbraw/zinc/40/51/34/1132405134.db2.gz MULAEAICTAQIHA-UHFFFAOYSA-N -1 0 341.415 3.673 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cccc(C(=O)OC(C)C)c1 ZINC001174675999 1132433167 /nfs/dbraw/zinc/43/31/67/1132433167.db2.gz AXFLLELBBROBIO-UHFFFAOYSA-N -1 0 329.352 3.702 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc(C(=O)OC(C)C)cc1 ZINC001174677824 1132434257 /nfs/dbraw/zinc/43/42/57/1132434257.db2.gz RKBUWSRUANFCAC-UHFFFAOYSA-N -1 0 329.352 3.702 20 0 EHADRM COc1cc(Nc2cc(Br)cnc2C)ccc1C(=O)[O-] ZINC001174682122 1132435160 /nfs/dbraw/zinc/43/51/60/1132435160.db2.gz DVSYQNRWQJPQPT-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM COc1cc(Nc2cc(O)ccc2Br)ccc1C(=O)[O-] ZINC001174684610 1132435838 /nfs/dbraw/zinc/43/58/38/1132435838.db2.gz AZTHHHZVJAAGTE-UHFFFAOYSA-N -1 0 338.157 3.605 20 0 EHADRM COc1cc(Nc2cccc3c2OCC[C@@H]3OC)ccc1C(=O)[O-] ZINC001174686042 1132436740 /nfs/dbraw/zinc/43/67/40/1132436740.db2.gz IVBMOOJNYUTWNS-HNNXBMFYSA-N -1 0 329.352 3.607 20 0 EHADRM COc1cc(Nc2cccc(O)c2Br)ccc1C(=O)[O-] ZINC001174688500 1132436922 /nfs/dbraw/zinc/43/69/22/1132436922.db2.gz ZTNBMZYRRKZTAT-UHFFFAOYSA-N -1 0 338.157 3.605 20 0 EHADRM O=S(=O)([O-])c1ccc2ccc(Nc3ccc(O)c(F)c3)cc2c1 ZINC001174737507 1132454622 /nfs/dbraw/zinc/45/46/22/1132454622.db2.gz KYBBDGHLRUWAKK-UHFFFAOYSA-N -1 0 333.340 3.675 20 0 EHADRM Cc1cc(C2CC2)nc([N-]S(=O)(=O)c2cccc(C(C)C)c2)n1 ZINC000191808796 1132465945 /nfs/dbraw/zinc/46/59/45/1132465945.db2.gz FSWFTRAXSPXDMM-UHFFFAOYSA-N -1 0 331.441 3.587 20 0 EHADRM COc1ccc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)cc1C ZINC001174835409 1132475688 /nfs/dbraw/zinc/47/56/88/1132475688.db2.gz RDGZHJQPWGTMSZ-UHFFFAOYSA-N -1 0 327.789 3.647 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1ccc(SC(F)F)cc1 ZINC000746356783 1132496409 /nfs/dbraw/zinc/49/64/09/1132496409.db2.gz JOUNYGKDJRFHLE-UHFFFAOYSA-N -1 0 349.358 3.902 20 0 EHADRM COc1ccc(-n2nc(C)cc2Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC001174949287 1132515686 /nfs/dbraw/zinc/51/56/86/1132515686.db2.gz IZMLUMDTZXMBFO-UHFFFAOYSA-N -1 0 337.379 3.560 20 0 EHADRM CC(C)(C)OC(=O)Nc1cc(Nc2ccc(CC(=O)[O-])cc2)ccn1 ZINC001174949943 1132515795 /nfs/dbraw/zinc/51/57/95/1132515795.db2.gz QAIPSFHWFWOXPV-UHFFFAOYSA-N -1 0 343.383 3.799 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000391827448 1132519236 /nfs/dbraw/zinc/51/92/36/1132519236.db2.gz CRRUADCFMNTCJX-BPNCWPANSA-N -1 0 341.329 3.550 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)CCCC2CCCCC2)c(C)s1 ZINC000746432568 1132524512 /nfs/dbraw/zinc/52/45/12/1132524512.db2.gz SNWCXRXQCOJRAK-UHFFFAOYSA-N -1 0 343.514 3.920 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1ccc2c(c1)OC(C)(C)C(=O)N2 ZINC001174982879 1132535301 /nfs/dbraw/zinc/53/53/01/1132535301.db2.gz ZHIYJKRDDJVFLJ-UHFFFAOYSA-N -1 0 326.352 3.546 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1ccc(Br)cc1CO ZINC001174982384 1132535496 /nfs/dbraw/zinc/53/54/96/1132535496.db2.gz NAQXDKJCCSTLPH-UHFFFAOYSA-N -1 0 336.185 3.692 20 0 EHADRM CCOc1ccc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])cc1F ZINC001175069126 1132541420 /nfs/dbraw/zinc/54/14/20/1132541420.db2.gz XXKRABXLUIITTQ-UHFFFAOYSA-N -1 0 345.779 3.868 20 0 EHADRM COC(=O)c1sc2ncccc2c1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175154931 1132569070 /nfs/dbraw/zinc/56/90/70/1132569070.db2.gz ZBLSUHSEQFAQJD-UHFFFAOYSA-N -1 0 346.339 3.664 20 0 EHADRM O=C([O-])c1cc(Nc2ncc(Br)cc2F)ccc1F ZINC001175216215 1132597736 /nfs/dbraw/zinc/59/77/36/1132597736.db2.gz XKUPRBVSRXQPPW-UHFFFAOYSA-N -1 0 329.100 3.564 20 0 EHADRM COc1ccccc1-n1ncc(C)c1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175219584 1132597790 /nfs/dbraw/zinc/59/77/90/1132597790.db2.gz AJKJCHPLDYOKRT-UHFFFAOYSA-N -1 0 341.342 3.770 20 0 EHADRM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1ccc(F)cc1Cl ZINC001168914365 1132605096 /nfs/dbraw/zinc/60/50/96/1132605096.db2.gz LMAHKZFHNUAMNM-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM COC(=O)c1cc(Nc2ccc(C(=O)[O-])c(Cl)c2)cnc1Cl ZINC001175315123 1132635865 /nfs/dbraw/zinc/63/58/65/1132635865.db2.gz NHAUHXDRMSVJBR-UHFFFAOYSA-N -1 0 341.150 3.617 20 0 EHADRM COC(=O)c1c(C)csc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175317461 1132636698 /nfs/dbraw/zinc/63/66/98/1132636698.db2.gz XPQPTKLGHYFKJA-UHFFFAOYSA-N -1 0 325.773 3.938 20 0 EHADRM COC(=O)c1cc(F)c(F)cc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175319425 1132636787 /nfs/dbraw/zinc/63/67/87/1132636787.db2.gz YEQYCDZXNHCISW-UHFFFAOYSA-N -1 0 341.697 3.847 20 0 EHADRM COC(=O)c1cc(Cl)cnc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175317079 1132637230 /nfs/dbraw/zinc/63/72/30/1132637230.db2.gz SORNLYNKYCAIOD-UHFFFAOYSA-N -1 0 341.150 3.617 20 0 EHADRM O=C([O-])c1cccc(Nc2cnc3ccc(Br)cn23)c1 ZINC001175327674 1132639175 /nfs/dbraw/zinc/63/91/75/1132639175.db2.gz UFCFIGJZSBZJOD-UHFFFAOYSA-N -1 0 332.157 3.539 20 0 EHADRM O=C([O-])c1cccc(Nc2ccc(N3CCSCC3)c(F)c2)c1 ZINC001175330288 1132640955 /nfs/dbraw/zinc/64/09/55/1132640955.db2.gz BBDSMHSVDQSNKB-UHFFFAOYSA-N -1 0 332.400 3.821 20 0 EHADRM CCOC(=O)c1ccc2ccc(Nc3cccc(C(=O)[O-])c3)cc2n1 ZINC001175335141 1132642128 /nfs/dbraw/zinc/64/21/28/1132642128.db2.gz VSABVLWSIPOWAD-UHFFFAOYSA-N -1 0 336.347 3.853 20 0 EHADRM O=C([O-])c1cccc(Nc2cccc(F)c2OC[C@@H]2CCCO2)c1 ZINC001175335181 1132642237 /nfs/dbraw/zinc/64/22/37/1132642237.db2.gz XANZQRRYSOCMDP-AWEZNQCLSA-N -1 0 331.343 3.825 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2ccc3ncccc3c2)c(Cl)c1 ZINC001175379724 1132655034 /nfs/dbraw/zinc/65/50/34/1132655034.db2.gz UGPMUCYWRKTRFL-UHFFFAOYSA-N -1 0 334.784 3.879 20 0 EHADRM Cc1cc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])cc2c[nH]nc21 ZINC001175519095 1132697983 /nfs/dbraw/zinc/69/79/83/1132697983.db2.gz HOYCQGCVMFCGSI-UHFFFAOYSA-N -1 0 337.788 3.515 20 0 EHADRM O=S(=O)([O-])c1c(Nc2cccc3c[nH]nc32)ccc2ccccc21 ZINC001175640227 1132720329 /nfs/dbraw/zinc/72/03/29/1132720329.db2.gz CWAOJAWKWHMYOK-UHFFFAOYSA-N -1 0 339.376 3.706 20 0 EHADRM Cc1ncc(CO)c(-c2nc(-c3ccc(C(C)(C)C)cc3)no2)c1[O-] ZINC001212589764 1132758103 /nfs/dbraw/zinc/75/81/03/1132758103.db2.gz CSWLPGXXIPYKFM-UHFFFAOYSA-N -1 0 339.395 3.602 20 0 EHADRM O=C(OCc1nnc(-c2ccccc2)s1)c1c(F)cc([O-])cc1F ZINC000766712431 1132760577 /nfs/dbraw/zinc/76/05/77/1132760577.db2.gz JKAPOXMQSRHPGS-UHFFFAOYSA-N -1 0 348.330 3.546 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2ccc(-c3cccnc3)cc2)cc1 ZINC001175888076 1132782576 /nfs/dbraw/zinc/78/25/76/1132782576.db2.gz UGYNAJSJNDWLDW-UHFFFAOYSA-N -1 0 326.377 3.739 20 0 EHADRM Cn1ccc2c1cccc2Nc1ccc(Cl)cc1S(=O)(=O)[O-] ZINC001175867620 1132787850 /nfs/dbraw/zinc/78/78/50/1132787850.db2.gz WLAONEOHIJQDMS-UHFFFAOYSA-N -1 0 336.800 3.822 20 0 EHADRM O=S(=O)([O-])c1cccc(Nc2ccc(-c3ccccn3)cc2)c1 ZINC001176038573 1132826492 /nfs/dbraw/zinc/82/64/92/1132826492.db2.gz UTIFRQFILWEZOX-UHFFFAOYSA-N -1 0 326.377 3.739 20 0 EHADRM CCOc1ccccc1OCCNc1ccccc1/C=C/C(=O)[O-] ZINC001169794694 1132861015 /nfs/dbraw/zinc/86/10/15/1132861015.db2.gz OXULQQAYWYROKQ-VAWYXSNFSA-N -1 0 327.380 3.674 20 0 EHADRM O=C([O-])Cn1cc(Nc2c(F)cccc2OC2CCCCC2)cn1 ZINC001176272155 1132899517 /nfs/dbraw/zinc/89/95/17/1132899517.db2.gz AULTZACRIDNPPM-UHFFFAOYSA-N -1 0 333.363 3.562 20 0 EHADRM Cc1cc(Nc2ccc(C(=O)NCC(=O)[O-])cc2)cc(C)c1Cl ZINC001176337720 1132902469 /nfs/dbraw/zinc/90/24/69/1132902469.db2.gz BGHKMFAXUZXISL-UHFFFAOYSA-N -1 0 332.787 3.515 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cc1 ZINC000766896327 1132912681 /nfs/dbraw/zinc/91/26/81/1132912681.db2.gz LUDKATUTCSXVOB-UHFFFAOYSA-N -1 0 349.264 3.911 20 0 EHADRM CC[C@@](C)(NC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000766964242 1132923461 /nfs/dbraw/zinc/92/34/61/1132923461.db2.gz VUURSPWXYUIJFD-BTKRWWFXSA-N -1 0 349.736 3.742 20 0 EHADRM CCOC(=O)c1sc(Nc2csc(C(=O)[O-])c2)nc1C1CC1 ZINC001176436242 1132929022 /nfs/dbraw/zinc/92/90/22/1132929022.db2.gz JOQORPBIPTXEAU-UHFFFAOYSA-N -1 0 338.410 3.701 20 0 EHADRM CCOC(=O)Cc1ccc(Nc2csc(C(=O)[O-])c2)c(Cl)c1 ZINC001176440041 1132930206 /nfs/dbraw/zinc/93/02/06/1132930206.db2.gz FMLYEFVZRLTTOP-UHFFFAOYSA-N -1 0 339.800 3.949 20 0 EHADRM C[C@H](CCOc1ccccc1)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000767089076 1132947459 /nfs/dbraw/zinc/94/74/59/1132947459.db2.gz SVKSEXDWNRVNQZ-HMVFGEFZSA-N -1 0 339.391 3.828 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)CCCOCc2ccccc2)cc1 ZINC000767089615 1132948127 /nfs/dbraw/zinc/94/81/27/1132948127.db2.gz AJECDADFUOLNCF-RAXLEYEMSA-N -1 0 339.391 3.720 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)[C@@H]2SCCc3ccccc32)cc1 ZINC000767093303 1132948953 /nfs/dbraw/zinc/94/89/53/1132948953.db2.gz VKHROJBISMFVGH-IEODJVTJSA-N -1 0 339.416 3.754 20 0 EHADRM O=C([O-])CCCCNC(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl ZINC000767132335 1132955392 /nfs/dbraw/zinc/95/53/92/1132955392.db2.gz BZWUZYRCDDDDEU-DAXSKMNVSA-N -1 0 349.736 3.743 20 0 EHADRM COC(=O)c1cccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1C ZINC001176586785 1132961149 /nfs/dbraw/zinc/96/11/49/1132961149.db2.gz MFFGBFCTCPWHBB-UHFFFAOYSA-N -1 0 325.364 3.641 20 0 EHADRM COc1ccc(Br)nc1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176588353 1132961433 /nfs/dbraw/zinc/96/14/33/1132961433.db2.gz DKWIFEKBSYOCKB-RUDMXATFSA-N -1 0 349.184 3.694 20 0 EHADRM COc1ncc(Nc2ccc(/C=C/C(=O)[O-])cc2)cc1Br ZINC001176590968 1132962458 /nfs/dbraw/zinc/96/24/58/1132962458.db2.gz ABMBBZVUCJCFTO-QPJJXVBHSA-N -1 0 349.184 3.694 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2ccnn2Cc2cccc(F)c2)cc1 ZINC001176589708 1132962613 /nfs/dbraw/zinc/96/26/13/1132962613.db2.gz MXIUSIICIPHQIT-RMKNXTFCSA-N -1 0 337.354 3.912 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2cnc3c(C4CCC4)cnn3c2)cc1 ZINC001176594430 1132963243 /nfs/dbraw/zinc/96/32/43/1132963243.db2.gz QRRDIUUXKGQKFV-RMKNXTFCSA-N -1 0 334.379 3.838 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2cnc(Br)s2)cc1 ZINC001176593820 1132963594 /nfs/dbraw/zinc/96/35/94/1132963594.db2.gz JZDDDSJKASGBKV-ZZXKWVIFSA-N -1 0 325.187 3.747 20 0 EHADRM Cc1c(Br)c[nH]c(=O)c1Nc1ccc(C=CC(=O)[O-])cc1 ZINC001176594660 1132963660 /nfs/dbraw/zinc/96/36/60/1132963660.db2.gz VNGXIUAZJPIJKD-QPJJXVBHSA-N -1 0 349.184 3.700 20 0 EHADRM COc1ccc(Nc2ccc(Cl)cc2Cl)c(S(=O)(=O)[O-])c1 ZINC001176653015 1132985005 /nfs/dbraw/zinc/98/50/05/1132985005.db2.gz KZLSITFQLXYNKO-UHFFFAOYSA-N -1 0 348.207 3.992 20 0 EHADRM CC(C)c1cc([C@H]2CCCN(C(=O)c3ccc(Cl)c([O-])c3)C2)[nH]n1 ZINC001177065599 1133026351 /nfs/dbraw/zinc/02/63/51/1133026351.db2.gz WRQGDCIBSPFUHR-ZDUSSCGKSA-N -1 0 347.846 3.912 20 0 EHADRM O=C([N-][C@@H](c1ccccc1)C(F)(F)F)C(F)(F)c1ccccn1 ZINC001177302909 1133047971 /nfs/dbraw/zinc/04/79/71/1133047971.db2.gz IXBBPDYODUHKKR-LBPRGKRZSA-N -1 0 330.256 3.593 20 0 EHADRM CC[C@H](C)C1CCC(NC(=O)CSc2n[n-]c(=S)s2)CC1 ZINC001177345873 1133055477 /nfs/dbraw/zinc/05/54/77/1133055477.db2.gz ISDBCTSEFSKCTH-WHXUTIOJSA-N -1 0 345.559 3.640 20 0 EHADRM Cc1ccnc(SCC(=O)Nc2c(Cl)ccc([O-])c2Cl)n1 ZINC001177497511 1133070968 /nfs/dbraw/zinc/07/09/68/1133070968.db2.gz IECXARRGIMVBQG-UHFFFAOYSA-N -1 0 344.223 3.528 20 0 EHADRM O=C(Nc1ccc(Cl)c(NC(=O)C2CC2)c1)c1c([O-])cccc1F ZINC001178388501 1133161383 /nfs/dbraw/zinc/16/13/83/1133161383.db2.gz QDQUWOCZYQSIAF-UHFFFAOYSA-N -1 0 348.761 3.786 20 0 EHADRM Cc1cc(C)n([C@H](C)CC(=O)Nc2ccc3[n-]c(=S)oc3c2)n1 ZINC000769242278 1133249512 /nfs/dbraw/zinc/24/95/12/1133249512.db2.gz NYAVVSRNUGMPNG-LLVKDONJSA-N -1 0 330.413 3.520 20 0 EHADRM O=C(CCCOc1ccccc1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000769243570 1133249883 /nfs/dbraw/zinc/24/98/83/1133249883.db2.gz LCOBHFKRZAJIGL-UHFFFAOYSA-N -1 0 328.393 3.914 20 0 EHADRM CCO[C@@H](C)c1ncc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)s1 ZINC000769248422 1133251375 /nfs/dbraw/zinc/25/13/75/1133251375.db2.gz GHCRSYAZBGVGHZ-QMMMGPOBSA-N -1 0 349.437 3.923 20 0 EHADRM Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000769249178 1133251424 /nfs/dbraw/zinc/25/14/24/1133251424.db2.gz UUEACTYZAIBLGS-UHFFFAOYSA-N -1 0 344.440 3.937 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000769463151 1133295605 /nfs/dbraw/zinc/29/56/05/1133295605.db2.gz XBGNVBBJTMCQHJ-LLVKDONJSA-N -1 0 340.404 3.556 20 0 EHADRM C[C@]1(C2CC2)COCCN1C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC001180110013 1133332195 /nfs/dbraw/zinc/33/21/95/1133332195.db2.gz KKOAGMSXEONWRB-LJQANCHMSA-N -1 0 345.826 3.840 20 0 EHADRM Cc1cc(NC(=O)c2c([O-])cccc2Cl)n(Cc2ccccc2)n1 ZINC000769717274 1133334500 /nfs/dbraw/zinc/33/45/00/1133334500.db2.gz TVUSBXLWIUVNDL-UHFFFAOYSA-N -1 0 341.798 3.851 20 0 EHADRM O=C(Nc1ccccc1[S-])[C@H]1CCCN1C(=O)Oc1ccccc1 ZINC001180334825 1133362821 /nfs/dbraw/zinc/36/28/21/1133362821.db2.gz DHRYPSHCIOEHIK-OAHLLOKOSA-N -1 0 342.420 3.577 20 0 EHADRM CC(C)(CNC(=O)C1(C(=O)[O-])CCCCC1)c1c[nH]c2ccccc21 ZINC001180439409 1133370364 /nfs/dbraw/zinc/37/03/64/1133370364.db2.gz DUWHGNRIWVHNSH-UHFFFAOYSA-N -1 0 342.439 3.597 20 0 EHADRM Cc1ccc2cc(CN(C)Cc3nc(=O)c4sccc4[n-]3)[nH]c2c1 ZINC001180603023 1133398549 /nfs/dbraw/zinc/39/85/49/1133398549.db2.gz NIMHFQZHSGPZBS-UHFFFAOYSA-N -1 0 338.436 3.819 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)c2cc(Cl)ccc2O)c(OC)c1 ZINC001180947042 1133434472 /nfs/dbraw/zinc/43/44/72/1133434472.db2.gz XMDGREXDGDHXAX-SNVBAGLBSA-N -1 0 335.787 3.554 20 0 EHADRM Cc1cc(Nc2cncc(C(=O)[O-])c2)n(-c2cccc(Cl)c2)n1 ZINC000071703965 1133554745 /nfs/dbraw/zinc/55/47/45/1133554745.db2.gz DUOOKFZCADJUOD-UHFFFAOYSA-N -1 0 328.759 3.671 20 0 EHADRM CC[C@@H](C(=O)Nc1c(C)cc(C)cc1S(=O)(=O)[O-])c1ccccc1 ZINC001182133111 1133577122 /nfs/dbraw/zinc/57/71/22/1133577122.db2.gz QFEVKWBJPARZRX-OAHLLOKOSA-N -1 0 347.436 3.682 20 0 EHADRM COc1ccc(NC(=O)c2c([O-])cccc2Cl)c2ncccc12 ZINC000771670454 1133582134 /nfs/dbraw/zinc/58/21/34/1133582134.db2.gz VBCURKFLIWMPCZ-UHFFFAOYSA-N -1 0 328.755 3.855 20 0 EHADRM Cc1cc(NC[C@@H](O)c2c(Cl)cccc2Cl)cnc1C(=O)[O-] ZINC001170032551 1133597287 /nfs/dbraw/zinc/59/72/87/1133597287.db2.gz NBBWMOYJYRMVTP-GFCCVEGCSA-N -1 0 341.194 3.541 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)CC(C)(C)C)cc1Cl ZINC000774134483 1133620850 /nfs/dbraw/zinc/62/08/50/1133620850.db2.gz CLXZSOFJPHIMHV-LLVKDONJSA-N -1 0 331.865 3.526 20 0 EHADRM C/C(=C\C(C)(C)C)C(=O)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000774190242 1133629708 /nfs/dbraw/zinc/62/97/08/1133629708.db2.gz KVSFGZOJHWVMJN-CSKARUKUSA-N -1 0 347.839 3.585 20 0 EHADRM Cc1cccc(OCC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)c1 ZINC000746523342 1133632050 /nfs/dbraw/zinc/63/20/50/1133632050.db2.gz SREISXMKCFXDTH-UHFFFAOYSA-N -1 0 339.313 3.641 20 0 EHADRM Cc1cccc2c1N(C1CC1)CCN2C(=O)c1c([O-])cccc1Cl ZINC000774511526 1133698868 /nfs/dbraw/zinc/69/88/68/1133698868.db2.gz YNNSWWRYVFWJSQ-UHFFFAOYSA-N -1 0 342.826 3.983 20 0 EHADRM Fc1ccc(Cl)c(F)c1[N-]c1nnc(Br)s1 ZINC001250087259 1133723585 /nfs/dbraw/zinc/72/35/85/1133723585.db2.gz TWRROVZJKWXPTM-UHFFFAOYSA-N -1 0 326.553 3.976 20 0 EHADRM Cc1cc(=NC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc(C)[nH]1 ZINC001182911871 1133748840 /nfs/dbraw/zinc/74/88/40/1133748840.db2.gz XIJSQVMZYYZMRJ-UHFFFAOYSA-N -1 0 332.403 3.669 20 0 EHADRM O=C(NC[C@@H]1CCc2ccccc2C1)c1cc(F)cc(Cl)c1[O-] ZINC001183093375 1133767555 /nfs/dbraw/zinc/76/75/55/1133767555.db2.gz OXBNLJQYEVRJQO-LLVKDONJSA-N -1 0 333.790 3.720 20 0 EHADRM CC(C)Oc1ccc(CCNC(=O)Cc2ccc([S-])cc2)cc1 ZINC001183188409 1133776735 /nfs/dbraw/zinc/77/67/35/1133776735.db2.gz YJPIEZNYKDFBIY-UHFFFAOYSA-N -1 0 329.465 3.664 20 0 EHADRM O=C(Cc1ccc([S-])cc1)Nc1cnnc2ccc(Cl)cc21 ZINC001183186118 1133776907 /nfs/dbraw/zinc/77/69/07/1133776907.db2.gz DAAWAZZSPGMWJH-UHFFFAOYSA-N -1 0 329.812 3.753 20 0 EHADRM O=C(Cc1ccc([S-])cc1)NCc1coc(-c2ccc(F)cc2)n1 ZINC001183192284 1133777562 /nfs/dbraw/zinc/77/75/62/1133777562.db2.gz QQJBEOODUVPRJV-UHFFFAOYSA-N -1 0 342.395 3.628 20 0 EHADRM CSCc1cccc(CNC(=O)c2cc(F)cc(Cl)c2[O-])c1 ZINC001183218446 1133779980 /nfs/dbraw/zinc/77/99/80/1133779980.db2.gz KIJJXLSWLSCEAZ-UHFFFAOYSA-N -1 0 339.819 3.978 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2)c1C ZINC000774623785 1133799273 /nfs/dbraw/zinc/79/92/73/1133799273.db2.gz SXXRKSROKNSGHB-UHFFFAOYSA-N -1 0 328.846 3.566 20 0 EHADRM O=C(NCCc1ccnc2ccccc12)c1cc(F)cc(Cl)c1[O-] ZINC001183952560 1133881262 /nfs/dbraw/zinc/88/12/62/1133881262.db2.gz LWCLJUVCAJZBMX-UHFFFAOYSA-N -1 0 344.773 3.705 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]C(=O)C[C@@H](CC)c1ccccc1 ZINC000786663800 1133883157 /nfs/dbraw/zinc/88/31/57/1133883157.db2.gz XDBBCIKPFDMGNZ-MRXNPFEDSA-N -1 0 345.464 3.638 20 0 EHADRM O=C(N[C@H](CO)C1CCC1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC001183977754 1133884801 /nfs/dbraw/zinc/88/48/01/1133884801.db2.gz QNMCVUPRTGVAJR-QGZVFWFLSA-N -1 0 345.826 3.603 20 0 EHADRM CCC(=O)c1ccc(NC(=O)c2ccc(Br)cc2[O-])cc1 ZINC001183997230 1133887812 /nfs/dbraw/zinc/88/78/12/1133887812.db2.gz KGNKEOLYYBMGRX-UHFFFAOYSA-N -1 0 348.196 4.000 20 0 EHADRM O=C(C=C([O-])c1ccc(Cl)cc1)CCC(=O)N1CCC12CCCC2 ZINC001184117184 1133899558 /nfs/dbraw/zinc/89/95/58/1133899558.db2.gz TXQPJSQKLKVGIL-UHFFFAOYSA-N -1 0 347.842 3.807 20 0 EHADRM CC1CC(N(C)C(=O)CCC(=O)C=C([O-])c2ccc(Cl)cc2)C1 ZINC001184117214 1133899691 /nfs/dbraw/zinc/89/96/91/1133899691.db2.gz VBZLJMNBDPXUFD-UHFFFAOYSA-N -1 0 335.831 3.519 20 0 EHADRM O=C([N-]CCCSCc1cc(Cl)ccc1F)C(F)(F)F ZINC000786804877 1133908169 /nfs/dbraw/zinc/90/81/69/1133908169.db2.gz CUYWJJPPXQZILZ-UHFFFAOYSA-N -1 0 329.746 3.781 20 0 EHADRM O=C(Nc1cnc2c(ccc(F)c2F)c1)c1c([O-])cc(F)cc1F ZINC001184226289 1133912162 /nfs/dbraw/zinc/91/21/62/1133912162.db2.gz PZKUSYJINWJDRQ-UHFFFAOYSA-N -1 0 336.244 3.749 20 0 EHADRM CCc1ccc(C(=O)NC2CCC(O)(c3ccccc3)CC2)c(O)c1 ZINC000787268173 1133987218 /nfs/dbraw/zinc/98/72/18/1133987218.db2.gz JBQIRGYQXSJTCW-UHFFFAOYSA-N -1 0 339.435 3.515 20 0 EHADRM CC(C)c1cc(F)ccc1[N-]S(=O)(=O)c1cccnc1Cl ZINC001184878517 1134002083 /nfs/dbraw/zinc/00/20/83/1134002083.db2.gz OLVCGSFWWIFNPH-UHFFFAOYSA-N -1 0 328.796 3.798 20 0 EHADRM C[C@H](Oc1cccc(/C=C2\C(=O)Nc3ccc(Cl)cc32)c1)C(=O)[O-] ZINC000746682471 1134005421 /nfs/dbraw/zinc/00/54/21/1134005421.db2.gz AWINJOXWCLGYJF-SOOGHKCXSA-N -1 0 343.766 3.685 20 0 EHADRM O=C(CSc1n[n-]c(=S)s1)Nc1ccc(C2CCC2)cc1 ZINC000787683685 1134028918 /nfs/dbraw/zinc/02/89/18/1134028918.db2.gz AGWYPIZFMYNKRK-UHFFFAOYSA-N -1 0 337.495 3.825 20 0 EHADRM CSc1ccc(NS(=O)(=O)Cc2cc(F)cc(F)c2)c(F)c1 ZINC001185138057 1134034506 /nfs/dbraw/zinc/03/45/06/1134034506.db2.gz XRHNAYKVTWDCKH-UHFFFAOYSA-N -1 0 347.383 3.768 20 0 EHADRM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3n[n-]c4ccccc4c3=O)C2)cc1 ZINC000787793689 1134041826 /nfs/dbraw/zinc/04/18/26/1134041826.db2.gz DBDQPJZNMXBOCC-ZBFHGGJFSA-N -1 0 347.418 3.662 20 0 EHADRM CCc1cc([N-]S(=O)(=O)c2ccsc2)ccc1Br ZINC001185341241 1134074227 /nfs/dbraw/zinc/07/42/27/1134074227.db2.gz KVBDYQNOHLWWFV-UHFFFAOYSA-N -1 0 346.271 3.874 20 0 EHADRM COc1ccc(/C=C\C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC000788089863 1134078633 /nfs/dbraw/zinc/07/86/33/1134078633.db2.gz MYNUUHNYAKQOST-TWGQIWQCSA-N -1 0 325.364 3.662 20 0 EHADRM CC(=O)c1sccc1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185429439 1134084137 /nfs/dbraw/zinc/08/41/37/1134084137.db2.gz MCWNIVQYOHIJGT-UHFFFAOYSA-N -1 0 337.447 3.966 20 0 EHADRM Cn1ncc2cc([N-]S(=O)(=O)c3cc4ccccc4s3)ccc21 ZINC001185454311 1134090575 /nfs/dbraw/zinc/09/05/75/1134090575.db2.gz MOQXWGUWHDZPGV-UHFFFAOYSA-N -1 0 343.433 3.589 20 0 EHADRM CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185460809 1134091946 /nfs/dbraw/zinc/09/19/46/1134091946.db2.gz XKKLUYNBQLOWJK-UHFFFAOYSA-N -1 0 346.433 3.661 20 0 EHADRM Cc1cc(F)cc([N-]S(=O)(=O)c2cc3ccccc3s2)c1O ZINC001185462468 1134092313 /nfs/dbraw/zinc/09/23/13/1134092313.db2.gz FKORCPIEUZVLCV-UHFFFAOYSA-N -1 0 337.397 3.855 20 0 EHADRM COc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1 ZINC001185525087 1134103302 /nfs/dbraw/zinc/10/33/02/1134103302.db2.gz PESYAPRPHWSWFJ-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM O=C([O-])/C=C\c1cnc(/C=C/c2ncc(C(F)(F)F)s2)s1 ZINC000788353686 1134115033 /nfs/dbraw/zinc/11/50/33/1134115033.db2.gz BEPZVMLNFKRGPS-NAOWAUKJSA-N -1 0 332.328 3.887 20 0 EHADRM COC(=O)c1cc(NC(=O)c2c([O-])cccc2Cl)c(C)cc1C ZINC000788567364 1134146280 /nfs/dbraw/zinc/14/62/80/1134146280.db2.gz KKWJONUQHQUKJR-UHFFFAOYSA-N -1 0 333.771 3.701 20 0 EHADRM O=C(Nc1nc2[nH]ccc2cc1Br)c1cccc([S-])c1 ZINC001186130721 1134173377 /nfs/dbraw/zinc/17/33/77/1134173377.db2.gz XWBIFFAHOVUZGC-UHFFFAOYSA-N -1 0 348.225 3.818 20 0 EHADRM COc1cccc([C@H]2CSCCN2C(=O)c2cccc([S-])c2)c1 ZINC001186149711 1134175808 /nfs/dbraw/zinc/17/58/08/1134175808.db2.gz SOTDTSGIRPDQBJ-QGZVFWFLSA-N -1 0 345.489 3.914 20 0 EHADRM O=C(NCCC(C(F)(F)F)C(F)(F)F)c1cccc([S-])c1 ZINC001186167527 1134182069 /nfs/dbraw/zinc/18/20/69/1134182069.db2.gz RHYLOZMBYOUWDL-UHFFFAOYSA-N -1 0 331.281 3.836 20 0 EHADRM Cc1cn2c(cccc2[N-]S(=O)(=O)c2csc3ccccc32)n1 ZINC001186441309 1134213488 /nfs/dbraw/zinc/21/34/88/1134213488.db2.gz IBGXABCBPIBBGT-UHFFFAOYSA-N -1 0 343.433 3.658 20 0 EHADRM CC(C)(C)c1nccc([N-]S(=O)(=O)c2csc3ccccc32)n1 ZINC001186464563 1134225704 /nfs/dbraw/zinc/22/57/04/1134225704.db2.gz WONTZFRSZGUVPY-UHFFFAOYSA-N -1 0 347.465 3.790 20 0 EHADRM O=S(=O)([N-]c1ccoc1)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC001186757510 1134253067 /nfs/dbraw/zinc/25/30/67/1134253067.db2.gz CIRVFKCESLHECW-UHFFFAOYSA-N -1 0 341.694 3.632 20 0 EHADRM CN(C(=O)c1cc(F)c(F)c([O-])c1F)[C@H](C1CCC1)C(F)(F)F ZINC001186778374 1134256561 /nfs/dbraw/zinc/25/65/61/1134256561.db2.gz BVUAITLXWNLENT-GFCCVEGCSA-N -1 0 341.251 3.613 20 0 EHADRM CN(C(=O)c1cc(F)c(F)c([O-])c1F)C(C)(C)Cc1ccccc1 ZINC001186778931 1134256882 /nfs/dbraw/zinc/25/68/82/1134256882.db2.gz JRCHSSRBGMAMDN-UHFFFAOYSA-N -1 0 337.341 3.903 20 0 EHADRM O=C(Nc1cc2ccccc2cc1O)c1cc(F)c(F)c([O-])c1F ZINC001186780660 1134257254 /nfs/dbraw/zinc/25/72/54/1134257254.db2.gz WQPYBDIHHWSQFR-UHFFFAOYSA-N -1 0 333.265 3.921 20 0 EHADRM O=C(Nc1ccc(F)c(Br)c1[O-])[C@@H]1CCC(F)(F)C1 ZINC001186888245 1134267324 /nfs/dbraw/zinc/26/73/24/1134267324.db2.gz KLCJOHPSOHOGOL-ZCFIWIBFSA-N -1 0 338.123 3.668 20 0 EHADRM COc1ccc(-c2ccccc2)c([N-]S(=O)(=O)c2ccco2)c1 ZINC001186857004 1134269599 /nfs/dbraw/zinc/26/95/99/1134269599.db2.gz GNJQRFBWXOFBGT-UHFFFAOYSA-N -1 0 329.377 3.756 20 0 EHADRM CCCc1cc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)on1 ZINC001187035196 1134293171 /nfs/dbraw/zinc/29/31/71/1134293171.db2.gz ATUJVLXTBLEJIB-UHFFFAOYSA-N -1 0 349.239 3.876 20 0 EHADRM COc1ccc(C)c([N-]S(=O)(=O)c2cc3c(s2)CCCC3)c1 ZINC001187173776 1134310293 /nfs/dbraw/zinc/31/02/93/1134310293.db2.gz KGZKQCYFBFXXIM-UHFFFAOYSA-N -1 0 337.466 3.745 20 0 EHADRM CC(C)(C(=O)[N-]OC1CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000789843287 1134338456 /nfs/dbraw/zinc/33/84/56/1134338456.db2.gz GOHQXWHGTBTTCQ-UHFFFAOYSA-N -1 0 331.334 3.853 20 0 EHADRM O=C(NC[C@H]1CCCC12CC2)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC001170128080 1134369244 /nfs/dbraw/zinc/36/92/44/1134369244.db2.gz AUHZKHNLFYHHAG-GFCCVEGCSA-N -1 0 345.830 3.541 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)c3c([O-])cc(F)cc3F)c2)[nH]c1C ZINC000746882050 1134375527 /nfs/dbraw/zinc/37/55/27/1134375527.db2.gz SSGWWYGUQSYKLM-UHFFFAOYSA-N -1 0 343.333 3.930 20 0 EHADRM C[S@@](=O)c1ccccc1C(=O)Nc1ccc2[n-]c(=S)sc2c1 ZINC001187850260 1134389539 /nfs/dbraw/zinc/38/95/39/1134389539.db2.gz IAWFKINMNJRBPN-JOCHJYFZSA-N -1 0 348.474 3.575 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc([O-])c(C(F)(F)F)c2)CCC1(F)F ZINC001188572083 1134479351 /nfs/dbraw/zinc/47/93/51/1134479351.db2.gz KGXSVIPWKJCRDD-SECBINFHSA-N -1 0 337.288 3.918 20 0 EHADRM CC(C)Oc1cc([N-]S(=O)(=O)c2ccoc2)cc(C(F)(F)F)c1 ZINC001188614439 1134483106 /nfs/dbraw/zinc/48/31/06/1134483106.db2.gz ZHPYPZAWYSKYOV-UHFFFAOYSA-N -1 0 349.330 3.886 20 0 EHADRM Cc1cc(Oc2ccccc2)ncc1[N-]S(=O)(=O)c1ccoc1 ZINC001188575916 1134483897 /nfs/dbraw/zinc/48/38/97/1134483897.db2.gz COKWVTVBZOLKPI-UHFFFAOYSA-N -1 0 330.365 3.576 20 0 EHADRM Cc1cc(F)ncc1[N-]S(=O)(=O)c1ccc(F)c2ccccc21 ZINC001189357139 1134580646 /nfs/dbraw/zinc/58/06/46/1134580646.db2.gz SSAHSLKJWWEIKA-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM O=S(=O)([N-]c1ccnn1C1CCC1)c1ccc(F)c2ccccc21 ZINC001189363470 1134581357 /nfs/dbraw/zinc/58/13/57/1134581357.db2.gz JAAAOLCLOBSCSP-UHFFFAOYSA-N -1 0 345.399 3.701 20 0 EHADRM Cc1nc(NC(=O)Nc2c(Cl)cccc2C(F)(F)F)cc(=O)[nH]1 ZINC001189446778 1134588606 /nfs/dbraw/zinc/58/86/06/1134588606.db2.gz BAULMZFUOJODDY-UHFFFAOYSA-N -1 0 346.696 3.807 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NS(=O)(=O)c1cc([O-])cc(F)c1)CC2 ZINC001189508479 1134593890 /nfs/dbraw/zinc/59/38/90/1134593890.db2.gz RYADUMDHAVGFNI-SFHVURJKSA-N -1 0 349.427 3.621 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3cnccc3c2)c1 ZINC001189571518 1134601828 /nfs/dbraw/zinc/60/18/28/1134601828.db2.gz ZPIPBUJGGHJBCV-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM CC[C@H](C)CC(=O)[N-]S(=O)(=O)c1cc(C(C)(C)C)ccc1C ZINC000791759013 1134603104 /nfs/dbraw/zinc/60/31/04/1134603104.db2.gz PMUHROAFVWKESJ-LBPRGKRZSA-N -1 0 325.474 3.534 20 0 EHADRM O=C(Nc1cccc2nccn21)c1cc(Br)ccc1[S-] ZINC001189952364 1134641637 /nfs/dbraw/zinc/64/16/37/1134641637.db2.gz WZNCUQIOZMMDBJ-UHFFFAOYSA-N -1 0 348.225 3.638 20 0 EHADRM COc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC001190217929 1134671797 /nfs/dbraw/zinc/67/17/97/1134671797.db2.gz GUSLSLAKFVSDOQ-UHFFFAOYSA-N -1 0 349.305 3.654 20 0 EHADRM O=S(=O)([N-]c1cccc(C2CC2)c1)c1cc(F)cc(F)c1F ZINC001190392139 1134690434 /nfs/dbraw/zinc/69/04/34/1134690434.db2.gz MASPQUJTJOBTLF-UHFFFAOYSA-N -1 0 327.327 3.782 20 0 EHADRM CC(=O)c1cccc(C(=O)Nc2c(Cl)ccc([O-])c2Cl)n1 ZINC001190749940 1134746100 /nfs/dbraw/zinc/74/61/00/1134746100.db2.gz FJUSRUULXGAYPK-UHFFFAOYSA-N -1 0 325.151 3.549 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cnc3ccccc3c2)c1 ZINC001191144452 1134812410 /nfs/dbraw/zinc/81/24/10/1134812410.db2.gz HVEXJWYDTAQQAQ-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cccc(OC)c2OC)cc1 ZINC001191224444 1134830701 /nfs/dbraw/zinc/83/07/01/1134830701.db2.gz OQMBCXAFGGAYNZ-UHFFFAOYSA-N -1 0 349.452 3.847 20 0 EHADRM C[C@H]1CCC[C@H](CC(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000747100213 1134849685 /nfs/dbraw/zinc/84/96/85/1134849685.db2.gz CWNWOWRPXOGJPE-GJZGRUSLSA-N -1 0 345.464 3.861 20 0 EHADRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cccc([C@@H](C)O)c1 ZINC001191651420 1134899436 /nfs/dbraw/zinc/89/94/36/1134899436.db2.gz BAPOUHHINPEZJZ-CYBMUJFWSA-N -1 0 349.452 3.673 20 0 EHADRM Cc1cccc2cc(C(=O)[N-]S(=O)(=O)c3cccc(Cl)c3)oc21 ZINC000747112644 1134905607 /nfs/dbraw/zinc/90/56/07/1134905607.db2.gz JMDBHULLKOTALP-UHFFFAOYSA-N -1 0 349.795 3.513 20 0 EHADRM CCc1ccc(O)c([N-]S(=O)(=O)c2cc(C(C)C)ccc2OC)c1 ZINC001191696061 1134908862 /nfs/dbraw/zinc/90/88/62/1134908862.db2.gz AQCDUHUOKOWWTD-UHFFFAOYSA-N -1 0 349.452 3.887 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]C(=O)CCC(C)C)c1Cl ZINC000793357620 1134909474 /nfs/dbraw/zinc/90/94/74/1134909474.db2.gz RMAFXEDPYHXCPN-UHFFFAOYSA-N -1 0 338.256 3.543 20 0 EHADRM O=S(=O)(Cc1ccc(Cl)cc1F)[N-]c1cccc2ocnc21 ZINC001191897553 1134940260 /nfs/dbraw/zinc/94/02/60/1134940260.db2.gz BOTROMRTKPGWMK-UHFFFAOYSA-N -1 0 340.763 3.562 20 0 EHADRM C[C@@H](O)c1ccc(C(=O)Nc2ccc3[n-]c(=S)sc3c2)cc1 ZINC001192359644 1135006201 /nfs/dbraw/zinc/00/62/01/1135006201.db2.gz BGLLUTCXSAOIPM-SECBINFHSA-N -1 0 330.434 3.891 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(C3CCC3)nc2)cnc1Cl ZINC001192534140 1135032991 /nfs/dbraw/zinc/03/29/91/1135032991.db2.gz PATYDFLXUCQKHJ-UHFFFAOYSA-N -1 0 337.832 3.507 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cncc(C(C)C)c2)c1 ZINC001192774565 1135053524 /nfs/dbraw/zinc/05/35/24/1135053524.db2.gz VCKZAOBKKDWBIU-UHFFFAOYSA-N -1 0 334.441 3.577 20 0 EHADRM COc1cc(C(F)(F)F)ccc1NC(=O)c1ccc(F)c(F)c1[O-] ZINC001192810045 1135056707 /nfs/dbraw/zinc/05/67/07/1135056707.db2.gz DPDWIRNAYQGASX-UHFFFAOYSA-N -1 0 347.239 3.950 20 0 EHADRM COc1ccc(C2=CCN(C(=O)c3ccc(F)c(F)c3[O-])CC2)cc1 ZINC001192807375 1135057187 /nfs/dbraw/zinc/05/71/87/1135057187.db2.gz UIVTUKRCGJITCL-UHFFFAOYSA-N -1 0 345.345 3.609 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3oc(C)nc3c2)c1 ZINC001192805404 1135057285 /nfs/dbraw/zinc/05/72/85/1135057285.db2.gz HSZWDCQPUXHJAK-UHFFFAOYSA-N -1 0 346.408 3.508 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(F)c(C)c2C)c1 ZINC001192816900 1135059513 /nfs/dbraw/zinc/05/95/13/1135059513.db2.gz ZFZUGLBJCYGJJU-UHFFFAOYSA-N -1 0 337.416 3.814 20 0 EHADRM Cc1nc2c(F)cccc2cc1NC(=O)c1ccc([O-])c(F)c1F ZINC001192831120 1135060593 /nfs/dbraw/zinc/06/05/93/1135060593.db2.gz AUNWAKSLLSIFLP-UHFFFAOYSA-N -1 0 332.281 3.918 20 0 EHADRM O=S(=O)([N-]c1ccc(F)c2ccccc12)c1cnccc1Cl ZINC001192900354 1135070652 /nfs/dbraw/zinc/07/06/52/1135070652.db2.gz IFVNNRRDRGUZGE-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM Cc1cccc(Oc2ccccc2)c1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC001193248579 1135118056 /nfs/dbraw/zinc/11/80/56/1135118056.db2.gz BHTRFBFWRCQKTP-MRXNPFEDSA-N -1 0 347.436 3.708 20 0 EHADRM O=S(=O)(CC1CCC1)[N-]c1cccc(F)c1OC1CCCC1 ZINC001193523404 1135151205 /nfs/dbraw/zinc/15/12/05/1135151205.db2.gz DGSLAJIFAXALJF-UHFFFAOYSA-N -1 0 327.421 3.689 20 0 EHADRM Cn1ccnc1S(=O)(=O)[N-]c1ccc(-c2ccccc2)c(Cl)c1 ZINC001193610548 1135158539 /nfs/dbraw/zinc/15/85/39/1135158539.db2.gz RXZQRWOOXMWCSH-UHFFFAOYSA-N -1 0 347.827 3.541 20 0 EHADRM O=C([N-]c1nsc(Cc2ccc(F)cc2)n1)c1sccc1F ZINC001129869983 1135179561 /nfs/dbraw/zinc/17/95/61/1135179561.db2.gz QEYYGBZNPMZFOH-UHFFFAOYSA-N -1 0 337.376 3.721 20 0 EHADRM CCOC(=O)c1cnc(NC(=O)c2cc(C(C)C)ccc2Cl)[n-]1 ZINC001193845834 1135194383 /nfs/dbraw/zinc/19/43/83/1135194383.db2.gz VJGOLQIQFQKGKF-UHFFFAOYSA-N -1 0 335.791 3.616 20 0 EHADRM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CC[C@H]2CSC[C@H]2C1 ZINC000828510407 1135227692 /nfs/dbraw/zinc/22/76/92/1135227692.db2.gz IDGOCDSXYUZQQO-DTWKUNHWSA-N -1 0 332.252 3.524 20 0 EHADRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)NC(C)(C)CC(C)(C)C ZINC001194276818 1135247928 /nfs/dbraw/zinc/24/79/28/1135247928.db2.gz FSVQXXFHCTZQPR-UHFFFAOYSA-N -1 0 329.444 3.831 20 0 EHADRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)NCC(C)(C)c1ccccc1 ZINC001194276117 1135248168 /nfs/dbraw/zinc/24/81/68/1135248168.db2.gz AZVFQKDJPBFTFE-UHFFFAOYSA-N -1 0 349.434 3.594 20 0 EHADRM Cc1ccc(-n2nccc2[N-]S(=O)(=O)c2c(C)cccc2C)cc1 ZINC001194610039 1135286003 /nfs/dbraw/zinc/28/60/03/1135286003.db2.gz WIVAYMHRFBSTFQ-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccccc1C(=O)OC(C)C ZINC001194634414 1135294470 /nfs/dbraw/zinc/29/44/70/1135294470.db2.gz SGKYFKXZRJTDJL-UHFFFAOYSA-N -1 0 347.436 3.669 20 0 EHADRM Cc1cc(Cl)cc(C)c1[N-]S(=O)(=O)c1cccc2nccnc21 ZINC001194981681 1135350911 /nfs/dbraw/zinc/35/09/11/1135350911.db2.gz ZSRIRLBAOCGGNT-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cnc3ccc(O)cc3c2)c1 ZINC001195119842 1135372506 /nfs/dbraw/zinc/37/25/06/1135372506.db2.gz BGHAMQIWPITICK-UHFFFAOYSA-N -1 0 342.420 3.865 20 0 EHADRM Cc1ccc(O)c(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)n1 ZINC001195326996 1135406073 /nfs/dbraw/zinc/40/60/73/1135406073.db2.gz WKWRYQRXPJOTHE-UHFFFAOYSA-N -1 0 328.702 3.603 20 0 EHADRM O=C(Nc1csc2cnccc12)c1c([O-])c(F)c(F)c(F)c1F ZINC001195291275 1135408037 /nfs/dbraw/zinc/40/80/37/1135408037.db2.gz URLAZVNKNIVTOU-UHFFFAOYSA-N -1 0 342.273 3.811 20 0 EHADRM CC(=O)c1cccc([N-]S(=O)(=O)c2c(C)cccc2Cl)c1C ZINC001195317346 1135413255 /nfs/dbraw/zinc/41/32/55/1135413255.db2.gz WVEKROKINDKHNS-UHFFFAOYSA-N -1 0 337.828 3.960 20 0 EHADRM O=C(Nc1cc(=O)[n-]c(Cl)n1)c1sccc1-c1ccccc1 ZINC001195708806 1135458398 /nfs/dbraw/zinc/45/83/98/1135458398.db2.gz CDGYJFRDIKALSF-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM CCOC(=O)c1csc(/C=C/c2cccc(C(=O)[O-])c2Cl)n1 ZINC000806563612 1135460992 /nfs/dbraw/zinc/46/09/92/1135460992.db2.gz VERTXSQOQFOCRE-VOTSOKGWSA-N -1 0 337.784 3.842 20 0 EHADRM O=C([O-])c1nc(/C=C\c2cccnc2Cl)sc1Br ZINC000806565690 1135461402 /nfs/dbraw/zinc/46/14/02/1135461402.db2.gz RUPMFMKFESOUAX-ARJAWSKDSA-N -1 0 345.605 3.823 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000121423621 1135472375 /nfs/dbraw/zinc/47/23/75/1135472375.db2.gz WGUMOUOLGZDILJ-OAHLLOKOSA-N -1 0 345.464 3.809 20 0 EHADRM CCC[C@@H](C)NS(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001196106225 1135517705 /nfs/dbraw/zinc/51/77/05/1135517705.db2.gz WVSDLRZHUJVMBK-CYBMUJFWSA-N -1 0 347.436 3.519 20 0 EHADRM COc1c(C)cc(CN(C)C(=O)c2cccc(Cl)c2[O-])cc1C ZINC000775690213 1135528373 /nfs/dbraw/zinc/52/83/73/1135528373.db2.gz KXPIZYURLONAQZ-UHFFFAOYSA-N -1 0 333.815 3.943 20 0 EHADRM Cc1cc(C)c(NS(=O)(=O)c2ccc(Cl)cn2)c(Cl)c1 ZINC001196245212 1135539837 /nfs/dbraw/zinc/53/98/37/1135539837.db2.gz LPVYILXPXCGSKJ-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM Cc1cc(NS(=O)(=O)c2ccc(Cl)cn2)c(Cl)cc1F ZINC001196244662 1135540060 /nfs/dbraw/zinc/54/00/60/1135540060.db2.gz BFQVXAIEUDHWSK-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM Cc1ccnc([N-]S(=O)(=O)c2ccc3cc(Cl)ccc3c2)c1 ZINC001196412704 1135559996 /nfs/dbraw/zinc/55/99/96/1135559996.db2.gz PQQAAFWITFUNEQ-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM C[C@H](NC(=O)c1cccc(Cl)c1[O-])c1nccn1-c1ccccc1 ZINC000807808041 1135572354 /nfs/dbraw/zinc/57/23/54/1135572354.db2.gz BXCPINIBURIMOU-LBPRGKRZSA-N -1 0 341.798 3.722 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2nccc3ccccc32)c(C)c1 ZINC001196843081 1135617640 /nfs/dbraw/zinc/61/76/40/1135617640.db2.gz MKXDWJARJQCVBZ-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)cs2)c(C)c1 ZINC001196859448 1135624312 /nfs/dbraw/zinc/62/43/12/1135624312.db2.gz YDNGHIPGVOHURE-UHFFFAOYSA-N -1 0 331.846 3.828 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000775749584 1135635344 /nfs/dbraw/zinc/63/53/44/1135635344.db2.gz IOTWUYQCHAHBIJ-ZDUSSCGKSA-N -1 0 333.790 3.890 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2cc(-c3cccs3)no2)cc1 ZINC001197077647 1135647339 /nfs/dbraw/zinc/64/73/39/1135647339.db2.gz WDJYLAJMVVEMKC-UHFFFAOYSA-N -1 0 345.405 3.910 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NCc2csc(Cl)c2)cc1 ZINC001197136623 1135648957 /nfs/dbraw/zinc/64/89/57/1135648957.db2.gz HQNPAKMEEKFOSF-UHFFFAOYSA-N -1 0 326.830 3.586 20 0 EHADRM Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)CCO2 ZINC001197137907 1135648967 /nfs/dbraw/zinc/64/89/67/1135648967.db2.gz YDGZLWYTZZSDRN-OAHLLOKOSA-N -1 0 342.420 3.503 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NCc2ccc(Cl)s2)cc1 ZINC001197128140 1135652548 /nfs/dbraw/zinc/65/25/48/1135652548.db2.gz GUTTWQMWVCFQTR-UHFFFAOYSA-N -1 0 326.830 3.586 20 0 EHADRM Cc1ccc(CNC(=S)Nc2ccc(C(=O)[O-])cc2)cc1Cl ZINC001197126667 1135652876 /nfs/dbraw/zinc/65/28/76/1135652876.db2.gz BNMBIEISMPKEIY-UHFFFAOYSA-N -1 0 334.828 3.833 20 0 EHADRM O=S(=O)(/C=C/c1ccccc1Cl)[N-][C@@H](C1CC1)C(F)(F)F ZINC000808328499 1135652975 /nfs/dbraw/zinc/65/29/75/1135652975.db2.gz QMJICAIXVMKZNM-GUOLPTJISA-N -1 0 339.766 3.571 20 0 EHADRM O=C(Nc1ccccc1[S-])c1cnn(Cc2ccc(F)cc2)c1 ZINC001197453877 1135696708 /nfs/dbraw/zinc/69/67/08/1135696708.db2.gz LEMXZNHWWVGHQH-UHFFFAOYSA-N -1 0 327.384 3.612 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccco2)cc1)c1cccc(Cl)n1 ZINC001198230839 1135789159 /nfs/dbraw/zinc/78/91/59/1135789159.db2.gz AYPLXNIWMVHPRH-UHFFFAOYSA-N -1 0 334.784 3.796 20 0 EHADRM COC(=O)c1c(C)c(C)sc1Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203316874 1135842440 /nfs/dbraw/zinc/84/24/40/1135842440.db2.gz XLKGEORQGOTZRB-UHFFFAOYSA-N -1 0 341.335 3.872 20 0 EHADRM Cc1cc(=O)c(COC(=O)C2(Cc3cccs3)CCCCC2)n[n-]1 ZINC000810692737 1135997734 /nfs/dbraw/zinc/99/77/34/1135997734.db2.gz PXYNNHTVBITUAN-UHFFFAOYSA-N -1 0 346.452 3.789 20 0 EHADRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1cccc2ccoc21 ZINC001201763794 1136061283 /nfs/dbraw/zinc/06/12/83/1136061283.db2.gz IAALCLICVRCADT-UHFFFAOYSA-N -1 0 328.802 3.652 20 0 EHADRM O=S(=O)([N-]c1ccsc1)c1ncccc1OCc1ccccc1 ZINC001201886591 1136070308 /nfs/dbraw/zinc/07/03/08/1136070308.db2.gz OEFQRAUSRDAJPI-UHFFFAOYSA-N -1 0 346.433 3.523 20 0 EHADRM C[C@@H](OC(=O)c1c(F)cc([O-])cc1F)c1ncc(C(C)(C)C)o1 ZINC000747701666 1136078324 /nfs/dbraw/zinc/07/83/24/1136078324.db2.gz BZWFEGXYJVELLX-MRVPVSSYSA-N -1 0 325.311 3.874 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)c2ccccc2OC(F)F)cc1 ZINC000005770977 1136089101 /nfs/dbraw/zinc/08/91/01/1136089101.db2.gz TZIVQJFMWWNTBD-JXMROGBWSA-N -1 0 333.290 3.638 20 0 EHADRM Cc1cccc(O[C@@H](C)CNC(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000811819594 1136145035 /nfs/dbraw/zinc/14/50/35/1136145035.db2.gz TXXOYFUHYJAIGJ-LBPRGKRZSA-N -1 0 347.798 3.544 20 0 EHADRM CON(Cc1ccccc1Cl)C(=O)c1cccc(Cl)c1[O-] ZINC000812429113 1136207011 /nfs/dbraw/zinc/20/70/11/1136207011.db2.gz RQYKVGJEUGLIPY-UHFFFAOYSA-N -1 0 326.179 3.903 20 0 EHADRM O=C([N-]OC/C=C\Cl)[C@H](c1ccccc1)N1CCc2ccccc21 ZINC000812405763 1136209030 /nfs/dbraw/zinc/20/90/30/1136209030.db2.gz GUVIQVLJLGHDHL-HCSGDKDASA-N -1 0 342.826 3.591 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C=Cc2ccc(OC)cc2)c1 ZINC000812704328 1136235239 /nfs/dbraw/zinc/23/52/39/1136235239.db2.gz MVXSNVYYMARUMH-IZZDOVSWSA-N -1 0 325.364 3.645 20 0 EHADRM O=C([N-]OC1CCC1)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000812793814 1136251644 /nfs/dbraw/zinc/25/16/44/1136251644.db2.gz GATQVTUDWUEXJY-UHFFFAOYSA-N -1 0 333.737 3.991 20 0 EHADRM CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)[N-]OCC1CCC1 ZINC000850717449 1136297488 /nfs/dbraw/zinc/29/74/88/1136297488.db2.gz ILOIQURAKPLKKI-UHFFFAOYSA-N -1 0 332.444 3.720 20 0 EHADRM CCCCCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000813196598 1136302387 /nfs/dbraw/zinc/30/23/87/1136302387.db2.gz BXXDWGNHOPYDNT-UHFFFAOYSA-N -1 0 347.427 3.685 20 0 EHADRM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C1CC2(C1)CCCCC2 ZINC000850851959 1136311801 /nfs/dbraw/zinc/31/18/01/1136311801.db2.gz NCLFUPQCYIVHAX-CQSZACIVSA-N -1 0 335.469 3.554 20 0 EHADRM CCc1ccc(N(CC)C(=O)c2nn(-c3ccccc3)cc2[O-])cc1 ZINC000813406719 1136328947 /nfs/dbraw/zinc/32/89/47/1136328947.db2.gz RGQBVSPUOYKINM-UHFFFAOYSA-N -1 0 335.407 3.807 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@H](C)CC(C)C ZINC000814016636 1136386684 /nfs/dbraw/zinc/38/66/84/1136386684.db2.gz OASSPHMKCOQVAR-GDBMZVCRSA-N -1 0 325.474 3.656 20 0 EHADRM CCC[C@](C)(CC)C(=O)[N-]S(=O)(=O)[C@@H](CC)c1ccccc1 ZINC000814019906 1136387254 /nfs/dbraw/zinc/38/72/54/1136387254.db2.gz ORDOZHUEWCQWKL-RDJZCZTQSA-N -1 0 325.474 3.800 20 0 EHADRM Cc1ccc([C@@H](NC(=O)c2ccc(/C=C\C(=O)[O-])o2)C2CC2)cc1 ZINC000851594110 1136395115 /nfs/dbraw/zinc/39/51/15/1136395115.db2.gz GJNNQBBCKAMNAI-LECLMCCNSA-N -1 0 325.364 3.567 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1ccc(/C=C\C(=O)[O-])o1)c1ccccc1 ZINC000851593744 1136395134 /nfs/dbraw/zinc/39/51/34/1136395134.db2.gz CJENDUVSXNDRGZ-HGPCXVNDSA-N -1 0 327.380 3.547 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)NCC2(Cc3ccccc3)CCC2)o1 ZINC000851602715 1136395708 /nfs/dbraw/zinc/39/57/08/1136395708.db2.gz YKHQGIQMRQPRCN-NTMALXAHSA-N -1 0 339.391 3.520 20 0 EHADRM CC(C)(CCc1ccccc1)NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851605579 1136396216 /nfs/dbraw/zinc/39/62/16/1136396216.db2.gz LLYOTQQFCLAWPB-PKNBQFBNSA-N -1 0 327.380 3.519 20 0 EHADRM Cc1sc(C(=O)N[C@@H](CC(=O)[O-])C2CC2)cc1-c1ccc(F)cc1 ZINC000776632747 1136492995 /nfs/dbraw/zinc/49/29/95/1136492995.db2.gz HASFFMQWYNHCSS-HNNXBMFYSA-N -1 0 347.411 3.846 20 0 EHADRM O=C([O-])Cn1ccc2cc(NC(=O)/C=C/C3CCCCC3)ccc21 ZINC000776637761 1136500248 /nfs/dbraw/zinc/50/02/48/1136500248.db2.gz BLRJHVYDOWWPDY-RMKNXTFCSA-N -1 0 326.396 3.801 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCC1CCCCC1)c1ccc(F)cc1F ZINC000776657830 1136527261 /nfs/dbraw/zinc/52/72/61/1136527261.db2.gz QSAAPYKOZSDGDU-INIZCTEOSA-N -1 0 339.382 3.957 20 0 EHADRM C/C(=C\C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1F)c1ccccc1 ZINC000776659871 1136529624 /nfs/dbraw/zinc/52/96/24/1136529624.db2.gz SMLXEEKHIRPLHY-KQPPXVQYSA-N -1 0 345.345 3.700 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1)[C@H]1CC=CCC1 ZINC000112158985 1136608116 /nfs/dbraw/zinc/60/81/16/1136608116.db2.gz KAHGNJNJOQRWLY-KRWDZBQOSA-N -1 0 341.432 3.515 20 0 EHADRM COCCCO[N-]C(=O)[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000854449350 1136617581 /nfs/dbraw/zinc/61/75/81/1136617581.db2.gz DPAYIXCMVUESRN-QGZVFWFLSA-N -1 0 333.815 3.556 20 0 EHADRM CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1ccc(-c2ccccc2)cc1F ZINC000815713262 1136631816 /nfs/dbraw/zinc/63/18/16/1136631816.db2.gz NGYIPEADGRIQDF-CYBMUJFWSA-N -1 0 344.386 3.525 20 0 EHADRM C[C@](O)(C(=O)Nc1cccc(Cl)c1[O-])c1ccc(Cl)cc1 ZINC000815877785 1136644603 /nfs/dbraw/zinc/64/46/03/1136644603.db2.gz HIWCSSMRUVSSMO-OAHLLOKOSA-N -1 0 326.179 3.545 20 0 EHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCC[C@H](CC(F)(F)F)C1 ZINC000854963732 1136657819 /nfs/dbraw/zinc/65/78/19/1136657819.db2.gz WGWMSCBRJFRTHR-SECBINFHSA-N -1 0 344.358 3.921 20 0 EHADRM CC(C)(CO)[C@H](NC(=O)c1cccc(Cl)c1[O-])c1cccs1 ZINC000855111876 1136667757 /nfs/dbraw/zinc/66/77/57/1136667757.db2.gz TUFGNDKTKOKHAN-CQSZACIVSA-N -1 0 339.844 3.597 20 0 EHADRM CCc1cc(C)c(C(=O)[N-]S(=O)(=O)[C@@H](c2ccccc2)C(C)C)o1 ZINC000816107530 1136671694 /nfs/dbraw/zinc/67/16/94/1136671694.db2.gz LHGJMLDKFCBTIO-QGZVFWFLSA-N -1 0 349.452 3.607 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccn(C(C)C)c1C ZINC000816095854 1136672542 /nfs/dbraw/zinc/67/25/42/1136672542.db2.gz MTYDBTVQIUVZEX-KRWDZBQOSA-N -1 0 348.468 3.588 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C1(C)CCCCC1 ZINC000816110548 1136677721 /nfs/dbraw/zinc/67/77/21/1136677721.db2.gz CCZGVPNPGNQLQE-INIZCTEOSA-N -1 0 337.485 3.800 20 0 EHADRM O=C(NCCOc1ccc(Cl)cc1)c1ccc(Cl)c([O-])c1 ZINC001135594977 1136723125 /nfs/dbraw/zinc/72/31/25/1136723125.db2.gz XPHBLLNBEJVMND-UHFFFAOYSA-N -1 0 326.179 3.508 20 0 EHADRM COc1cccc([C@]2(C)CCN(C(=O)c3cccc(Cl)c3[O-])C2)c1 ZINC000855839880 1136734097 /nfs/dbraw/zinc/73/40/97/1136734097.db2.gz YVOCGKGFADOAPO-LJQANCHMSA-N -1 0 345.826 3.858 20 0 EHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000855955722 1136744129 /nfs/dbraw/zinc/74/41/29/1136744129.db2.gz UHSLOIMCBNWDCN-HIFRSBDPSA-N -1 0 346.452 3.538 20 0 EHADRM O=C(NCCCOC1CCCCC1)c1ccc2oc(=S)[n-]c2c1 ZINC000816830497 1136758787 /nfs/dbraw/zinc/75/87/87/1136758787.db2.gz IMXZGRKGXSCRRL-UHFFFAOYSA-N -1 0 334.441 3.586 20 0 EHADRM O=C(NCCC1SCCS1)c1c([O-])cc(Cl)cc1Cl ZINC000856220236 1136766512 /nfs/dbraw/zinc/76/65/12/1136766512.db2.gz MYMFSQSMVMWMHP-UHFFFAOYSA-N -1 0 338.281 3.625 20 0 EHADRM CC[C@@H](c1ccncc1)N(C)C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000816929420 1136767538 /nfs/dbraw/zinc/76/75/38/1136767538.db2.gz HVXIGXVWPWDVKO-AWEZNQCLSA-N -1 0 327.409 3.735 20 0 EHADRM CCC(CC)(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000011171210 1136801204 /nfs/dbraw/zinc/80/12/04/1136801204.db2.gz WCSDZFUJOJJAOY-UHFFFAOYSA-N -1 0 333.306 3.805 20 0 EHADRM Cc1cccc2sc(NC(=O)c3s[n-]c(=O)c3Cl)nc21 ZINC001135902889 1136802082 /nfs/dbraw/zinc/80/20/82/1136802082.db2.gz BDXXPSVOQUSZKR-UHFFFAOYSA-N -1 0 325.802 3.673 20 0 EHADRM Cc1cc(SC(C)(C)C)ccc1NC(=O)[C@H](C)O[C@H](C)C(=O)[O-] ZINC000817571616 1136821098 /nfs/dbraw/zinc/82/10/98/1136821098.db2.gz IEDVHCBFRSXTCD-NWDGAFQWSA-N -1 0 339.457 3.702 20 0 EHADRM C[C@@H](CC(=O)N1CCC([C@@H](CC(=O)[O-])c2ccccc2)CC1)C1CC1 ZINC000856930135 1136825169 /nfs/dbraw/zinc/82/51/69/1136825169.db2.gz RTPSBQLZQBCZGS-KXBFYZLASA-N -1 0 343.467 3.920 20 0 EHADRM O=C([O-])C[C@@H](c1ccccc1)C1CCN(C(=O)C=C2CCCC2)CC1 ZINC000856930114 1136825358 /nfs/dbraw/zinc/82/53/58/1136825358.db2.gz QNTFTKIFUMQVMB-IBGZPJMESA-N -1 0 341.451 3.984 20 0 EHADRM CCCCCCOC(=O)CCC(=O)CNc1cc(F)ccc1[S-] ZINC001170882723 1136844971 /nfs/dbraw/zinc/84/49/71/1136844971.db2.gz KHKWWZBBFVWRQR-UHFFFAOYSA-N -1 0 341.448 3.999 20 0 EHADRM CCc1ccc(N(CC)C(=O)c2cc(C(=O)OC(C)(C)C)[n-]n2)cc1 ZINC001136169704 1136892770 /nfs/dbraw/zinc/89/27/70/1136892770.db2.gz XNOKSYOLIVKXHA-UHFFFAOYSA-N -1 0 343.427 3.594 20 0 EHADRM CC(C)CCCNC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC001136186945 1136907717 /nfs/dbraw/zinc/90/77/17/1136907717.db2.gz DEIIUNVZOURKON-UHFFFAOYSA-N -1 0 329.444 3.867 20 0 EHADRM O=C(Nc1c(=O)[nH][n-]c1-c1ccccc1)c1cc(Cl)c(Cl)[nH]1 ZINC000820466000 1136994245 /nfs/dbraw/zinc/99/42/45/1136994245.db2.gz SZLLZTBOXYIWJB-UHFFFAOYSA-N -1 0 337.166 3.670 20 0 EHADRM O=C(c1cc(F)cc(F)c1[O-])N1C[C@H]2CCCCN2c2ccccc21 ZINC000820734283 1137001593 /nfs/dbraw/zinc/00/15/93/1137001593.db2.gz MFZOIHIPJFUXFY-CYBMUJFWSA-N -1 0 344.361 3.690 20 0 EHADRM CC(C)(C)c1ccc([N-]S(=O)(=O)c2c[nH]nc2C(F)(F)F)cc1 ZINC000821116835 1137017403 /nfs/dbraw/zinc/01/74/03/1137017403.db2.gz XLDMVYFOPJHBTG-UHFFFAOYSA-N -1 0 347.362 3.527 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc3nc(Cl)sc3c2)c(C)o1 ZINC000821095858 1137018075 /nfs/dbraw/zinc/01/80/75/1137018075.db2.gz AZKMUAPZKFVXIW-UHFFFAOYSA-N -1 0 342.829 3.960 20 0 EHADRM CC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)c1O ZINC000821101309 1137018442 /nfs/dbraw/zinc/01/84/42/1137018442.db2.gz AJCFWYLYVCTHJR-UHFFFAOYSA-N -1 0 347.436 3.693 20 0 EHADRM Cc1oc2ccccc2c1CN[C@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC000859816455 1137032166 /nfs/dbraw/zinc/03/21/66/1137032166.db2.gz FBSPFHKGFOUXDQ-IBGZPJMESA-N -1 0 337.375 3.592 20 0 EHADRM Cc1nc2ccc(C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)cc2nc1C ZINC000821857359 1137042509 /nfs/dbraw/zinc/04/25/09/1137042509.db2.gz AEJZDZOXDIDHHK-BJMVGYQFSA-N -1 0 347.374 3.597 20 0 EHADRM Cc1nc2ccc(C(=O)Nc3ccc(/C=C\C(=O)[O-])cc3)cc2nc1C ZINC000821857369 1137042548 /nfs/dbraw/zinc/04/25/48/1137042548.db2.gz AEJZDZOXDIDHHK-YHYXMXQVSA-N -1 0 347.374 3.597 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(SC(F)F)cc1 ZINC000013255812 1137060672 /nfs/dbraw/zinc/06/06/72/1137060672.db2.gz CIAYBVIAUZOZHO-VXGBXAGGSA-N -1 0 327.352 3.607 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 ZINC000013403848 1137080839 /nfs/dbraw/zinc/08/08/39/1137080839.db2.gz VKYHXXHXYVWZOJ-KPKJPENVSA-N -1 0 347.370 3.955 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000013403467 1137080932 /nfs/dbraw/zinc/08/09/32/1137080932.db2.gz RJZUEXUZXBFGDE-RMKNXTFCSA-N -1 0 349.308 3.984 20 0 EHADRM CC1(C)CN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])[C@@H]1C1CC1 ZINC000823019438 1137081933 /nfs/dbraw/zinc/08/19/33/1137081933.db2.gz SLVSABRHEPPSNI-GOSISDBHSA-N -1 0 339.391 3.725 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)CCc1ccc(Cl)cc1 ZINC000013450327 1137086075 /nfs/dbraw/zinc/08/60/75/1137086075.db2.gz UHLGQUSACQVMIQ-UHFFFAOYSA-N -1 0 329.783 3.560 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)c1cccc([C@@H]2CCOC2)c1)C(=O)[O-] ZINC000823328695 1137095249 /nfs/dbraw/zinc/09/52/49/1137095249.db2.gz ZKOSFVHQKSMLBT-YLJYHZDGSA-N -1 0 347.455 3.734 20 0 EHADRM Cc1n[nH]c(C(=O)N[C@H](c2ccc(Cl)cc2)C2CCCC2)c1[O-] ZINC001136712546 1137097276 /nfs/dbraw/zinc/09/72/76/1137097276.db2.gz FXNDFISQCPJIKF-AWEZNQCLSA-N -1 0 333.819 3.738 20 0 EHADRM CC[C@H]1CCCN(C(=O)c2nn(-c3cc(C)ccc3F)cc2[O-])CC1 ZINC001136756826 1137108289 /nfs/dbraw/zinc/10/82/89/1137108289.db2.gz SHPSYDIIUBKONO-AWEZNQCLSA-N -1 0 345.418 3.678 20 0 EHADRM CC(C)(NC(=O)c1cc(Cl)cc(Cl)c1[O-])c1nccs1 ZINC001136757940 1137108324 /nfs/dbraw/zinc/10/83/24/1137108324.db2.gz GQZVDZNOUKLPAE-UHFFFAOYSA-N -1 0 331.224 3.821 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cc2cccc(Cl)c2o1 ZINC000823860917 1137116767 /nfs/dbraw/zinc/11/67/67/1137116767.db2.gz POHANQGMTQNSMP-GFCCVEGCSA-N -1 0 335.787 3.946 20 0 EHADRM C/C(=C/C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1cccc(Cl)c1 ZINC000823855307 1137116779 /nfs/dbraw/zinc/11/67/79/1137116779.db2.gz MVYSQDXTOOGNJM-ZVHGMHCTSA-N -1 0 335.831 3.847 20 0 EHADRM Cc1cnc(CNc2cc(C)cc(C[N-]C(=O)C(F)(F)F)c2)s1 ZINC000825011336 1137160693 /nfs/dbraw/zinc/16/06/93/1137160693.db2.gz GNWVCPALMQVHDD-UHFFFAOYSA-N -1 0 343.374 3.551 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863250321 1137177656 /nfs/dbraw/zinc/17/76/56/1137177656.db2.gz CXABTAXWQRVWJZ-HRCADAONSA-N -1 0 327.811 3.921 20 0 EHADRM CC(C)c1cc(Cl)ccc1[N-]S(=O)(=O)c1cnc(Cl)n1C ZINC000863424188 1137185736 /nfs/dbraw/zinc/18/57/36/1137185736.db2.gz DAGPGFVDYXHNHT-UHFFFAOYSA-N -1 0 348.255 3.651 20 0 EHADRM CCc1cc(Cl)cnc1[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000863450026 1137187098 /nfs/dbraw/zinc/18/70/98/1137187098.db2.gz CENFTINUTAKWJI-UHFFFAOYSA-N -1 0 330.862 3.777 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N2CCS[C@@H](c3ccccc3)C2)CC1 ZINC000844156314 1137202468 /nfs/dbraw/zinc/20/24/68/1137202468.db2.gz LPNGDCAPDLMDRB-BDVYOWHSSA-N -1 0 347.480 3.584 20 0 EHADRM C[C@@H](CCc1ccc(F)cc1)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000864100694 1137214976 /nfs/dbraw/zinc/21/49/76/1137214976.db2.gz VNZBHKVRBMOQEK-WFASDCNBSA-N -1 0 349.427 3.788 20 0 EHADRM CCC(CC)c1cc(CNC(=O)c2ccc(C)c(C(=O)[O-])c2)on1 ZINC000864112259 1137215688 /nfs/dbraw/zinc/21/56/88/1137215688.db2.gz ATYWVALHVYPWAG-UHFFFAOYSA-N -1 0 330.384 3.515 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)/C=C\c1csc(C(F)(F)F)c1 ZINC000864116244 1137215700 /nfs/dbraw/zinc/21/57/00/1137215700.db2.gz OHAARJUNNYFIBM-ARJAWSKDSA-N -1 0 335.347 3.540 20 0 EHADRM COc1ccccc1-c1ccc(C(=O)N(CCC(=O)[O-])C2CC2)s1 ZINC000864114599 1137215859 /nfs/dbraw/zinc/21/58/59/1137215859.db2.gz ZKBGIJQWZLJQOC-UHFFFAOYSA-N -1 0 345.420 3.503 20 0 EHADRM CN(C(=O)CCc1ccc(C(F)F)cc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000864118315 1137216041 /nfs/dbraw/zinc/21/60/41/1137216041.db2.gz WLHMTBXTRRSKOG-QGZVFWFLSA-N -1 0 347.361 3.841 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc2c(ccc3ccccc23)o1 ZINC000864119024 1137216076 /nfs/dbraw/zinc/21/60/76/1137216076.db2.gz SZYVPLDZFAOTNK-IBGZPJMESA-N -1 0 325.364 3.959 20 0 EHADRM CCC(CC)(CNC(=O)/C=C\c1ccsc1C(F)(F)F)C(=O)[O-] ZINC000864126961 1137216316 /nfs/dbraw/zinc/21/63/16/1137216316.db2.gz OROKPJHGONBRCT-WAYWQWQTSA-N -1 0 349.374 3.787 20 0 EHADRM CCCCc1ccc(N(C)C(=O)c2cc(C(=O)[O-])cnc2C)cc1 ZINC000864131710 1137216526 /nfs/dbraw/zinc/21/65/26/1137216526.db2.gz ZSTFDCJOZWSSLP-UHFFFAOYSA-N -1 0 326.396 3.707 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)C1CCc2ccccc2CC1 ZINC000864132354 1137216597 /nfs/dbraw/zinc/21/65/97/1137216597.db2.gz QJZMGVSKFWGEMH-UHFFFAOYSA-N -1 0 331.456 3.723 20 0 EHADRM CSCCCCCCC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000864133290 1137216670 /nfs/dbraw/zinc/21/66/70/1137216670.db2.gz MFJGTPPYMNLJSZ-AWEZNQCLSA-N -1 0 329.506 3.649 20 0 EHADRM CC(C)(CC(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000864134497 1137216688 /nfs/dbraw/zinc/21/66/88/1137216688.db2.gz CIPAYGNWTVMFMA-HNAYVOBHSA-N -1 0 335.419 3.643 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cc2c(cccc2C2CC2)[nH]1 ZINC000864132413 1137216704 /nfs/dbraw/zinc/21/67/04/1137216704.db2.gz SLRIHORPDYKEGP-AWEZNQCLSA-N -1 0 340.423 3.905 20 0 EHADRM CCC[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)c1cccc(Cl)c1 ZINC000864140753 1137216874 /nfs/dbraw/zinc/21/68/74/1137216874.db2.gz DDYGHNBVPPGOMI-RCBQFDQVSA-N -1 0 337.847 3.793 20 0 EHADRM C[C@H](CCc1ccc(F)cc1)C(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000864134913 1137216920 /nfs/dbraw/zinc/21/69/20/1137216920.db2.gz KVHBDIAECSBVSJ-AZOIQLNYSA-N -1 0 335.419 3.544 20 0 EHADRM CC(C)(c1ccccc1)C1(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)CC1 ZINC000864153114 1137217333 /nfs/dbraw/zinc/21/73/33/1137217333.db2.gz YOSJTKMRXBLOEE-PKNBQFBNSA-N -1 0 339.391 3.618 20 0 EHADRM CC(C)CN(Cc1ccccc1F)C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000864159707 1137217586 /nfs/dbraw/zinc/21/75/86/1137217586.db2.gz ZITLCJUYWMQAAE-BQYQJAHWSA-N -1 0 345.370 3.815 20 0 EHADRM CC1(NC(=O)c2cc(C(=O)[O-])ccc2Cl)CCC(F)(F)CC1 ZINC000864167394 1137217725 /nfs/dbraw/zinc/21/77/25/1137217725.db2.gz CLAORPFTDMICOX-UHFFFAOYSA-N -1 0 331.746 3.736 20 0 EHADRM Cc1ccc([C@@H](C)N(C)C(=O)/C=C\c2ccc(C(=O)[O-])o2)c(C)c1 ZINC000864177468 1137217846 /nfs/dbraw/zinc/21/78/46/1137217846.db2.gz FJOFANXLGZFQJR-JKEYDSJLSA-N -1 0 327.380 3.827 20 0 EHADRM CC(C)(CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21)c1ccc(F)cc1 ZINC000864174258 1137217916 /nfs/dbraw/zinc/21/79/16/1137217916.db2.gz DTAQJUKQBKUMJA-YESZJQIVSA-N -1 0 347.430 3.595 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NC2CCC(OC(C)(C)C)CC2)c1 ZINC000864190192 1137218497 /nfs/dbraw/zinc/21/84/97/1137218497.db2.gz ZBLURDJAYSOHJN-UHFFFAOYSA-N -1 0 333.428 3.549 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)NCc1cc(C(=O)[O-])co1 ZINC000864193223 1137218619 /nfs/dbraw/zinc/21/86/19/1137218619.db2.gz MEGVLYMIMZGIQH-INIZCTEOSA-N -1 0 345.395 3.575 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)[C@@H]2Cc3ccc(Cl)cc32)c2ccccc21 ZINC000864228346 1137219346 /nfs/dbraw/zinc/21/93/46/1137219346.db2.gz OGXOSLZJLNOHTD-BLLLJJGKSA-N -1 0 341.794 3.585 20 0 EHADRM COc1ccc(C2CC2)c(NC(=O)CC2CCC(C(=O)[O-])CC2)c1 ZINC000864226112 1137219392 /nfs/dbraw/zinc/21/93/92/1137219392.db2.gz KONMNYIEHAVWCW-UHFFFAOYSA-N -1 0 331.412 3.792 20 0 EHADRM Cc1ccccc1C[C@H](C)C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000864227613 1137219417 /nfs/dbraw/zinc/21/94/17/1137219417.db2.gz GPCOHWCHLXGXAI-DOTOQJQBSA-N -1 0 337.419 3.779 20 0 EHADRM CCC[C@H](C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21)c1ccccn1 ZINC000864227124 1137219439 /nfs/dbraw/zinc/21/94/39/1137219439.db2.gz CGKLJVUEQWYSSY-HOCLYGCPSA-N -1 0 338.407 3.570 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)[C@H]2Cc3ccc(Cl)cc32)c1 ZINC000864233625 1137219483 /nfs/dbraw/zinc/21/94/83/1137219483.db2.gz XYJTYHQPNDLPNJ-DLBZAZTESA-N -1 0 343.810 3.620 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)C[C@@H](C)c2cccc(F)c2)c1 ZINC000864230440 1137219547 /nfs/dbraw/zinc/21/95/47/1137219547.db2.gz XOOSKPUYXKIRSV-KDOFPFPSSA-N -1 0 343.398 3.960 20 0 EHADRM Cc1sc(C)c2c1[n-]c(CC(=O)C1(c3ccccc3)CC1)nc2=O ZINC000864357435 1137223441 /nfs/dbraw/zinc/22/34/41/1137223441.db2.gz YLCTUUVWSHERBW-UHFFFAOYSA-N -1 0 338.432 3.857 20 0 EHADRM COc1ccc(CCC(=O)[O-])cc1NCc1cnc(Cl)c(F)c1 ZINC000864512579 1137231149 /nfs/dbraw/zinc/23/11/49/1137231149.db2.gz JPSWRANCQVTAMO-UHFFFAOYSA-N -1 0 338.766 3.512 20 0 EHADRM C[C@H](NCc1cccc(OC(C)(C)C)c1)c1nc(C(=O)[O-])cs1 ZINC000864515326 1137231371 /nfs/dbraw/zinc/23/13/71/1137231371.db2.gz OOAUKRBXZADJOH-NSHDSACASA-N -1 0 334.441 3.869 20 0 EHADRM C/C(=C\c1ccc(-c2cccc(CO[C@H]3CCOC3)c2)o1)C(=O)[O-] ZINC000864608725 1137236342 /nfs/dbraw/zinc/23/63/42/1137236342.db2.gz MGZDXGYFNSTIDY-VEMDQMBVSA-N -1 0 328.364 3.740 20 0 EHADRM CC[C@H](C)CO[N-]C(=O)CSc1cccc(Br)c1 ZINC000794849458 1137292680 /nfs/dbraw/zinc/29/26/80/1137292680.db2.gz GVVALYURFMOBCE-JTQLQIEISA-N -1 0 332.263 3.635 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc3c2OCCC3=O)c1 ZINC000543721657 1137301212 /nfs/dbraw/zinc/30/12/12/1137301212.db2.gz NAHIHDOQDUHZFF-UHFFFAOYSA-N -1 0 345.420 3.576 20 0 EHADRM C[C@@H]1CCC[C@H](C)N1C(=O)c1cc(Br)cc(F)c1[O-] ZINC001144543958 1137307642 /nfs/dbraw/zinc/30/76/42/1137307642.db2.gz INENOCWIUARVKF-DTORHVGOSA-N -1 0 330.197 3.697 20 0 EHADRM COC(=O)c1ccc([C@@H]2CCCN2Cc2c(F)cc(O)cc2F)cc1 ZINC001144567460 1137311042 /nfs/dbraw/zinc/31/10/42/1137311042.db2.gz LHPCWGOXGYSKQH-SFHVURJKSA-N -1 0 347.361 3.794 20 0 EHADRM COC(C)(C)c1nsc([N-]c2cnn([C@@H](C)c3ccccc3)c2)n1 ZINC000865899633 1137319237 /nfs/dbraw/zinc/31/92/37/1137319237.db2.gz JEQMHIUIKUCFIE-LBPRGKRZSA-N -1 0 343.456 3.969 20 0 EHADRM O=C([O-])c1ccsc1CN1Cc2ccc(Br)cc2C1 ZINC001144664396 1137324783 /nfs/dbraw/zinc/32/47/83/1137324783.db2.gz GULQQENHMQPTQF-UHFFFAOYSA-N -1 0 338.226 3.725 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)c1ccc(SC(F)F)cc1)C(=O)[O-] ZINC000846119456 1137334111 /nfs/dbraw/zinc/33/41/11/1137334111.db2.gz FLQJXXCQPZNEQA-LLVKDONJSA-N -1 0 331.384 3.621 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1C[N@H+](Cc1cc(Cl)ccc1OC(F)F)C2 ZINC000846283891 1137344959 /nfs/dbraw/zinc/34/49/59/1137344959.db2.gz JZAKUVABIWBTPL-ZBEGNZNMSA-N -1 0 345.773 3.628 20 0 EHADRM Cc1nc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)sc1-c1ccccc1 ZINC000846708722 1137363255 /nfs/dbraw/zinc/36/32/55/1137363255.db2.gz JTAHHQTUIXAWCH-OLZOCXBDSA-N -1 0 330.409 3.558 20 0 EHADRM Cc1ccccc1-n1nccc1/C=C/c1ncc(/C=C/C(=O)[O-])s1 ZINC000794940925 1137373464 /nfs/dbraw/zinc/37/34/64/1137373464.db2.gz FZUNTTXOZLROLZ-CDJQDVQCSA-N -1 0 337.404 3.905 20 0 EHADRM CC1(CNC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])CCCC1 ZINC001144971563 1137374572 /nfs/dbraw/zinc/37/45/72/1137374572.db2.gz ABRXAOJLURYHJC-UHFFFAOYSA-N -1 0 333.819 3.541 20 0 EHADRM O=C(Cc1csc(CCC(F)(F)F)n1)[N-]OC1CCCCC1 ZINC000867547648 1137381262 /nfs/dbraw/zinc/38/12/62/1137381262.db2.gz HGYMRLDESRVTRZ-UHFFFAOYSA-N -1 0 336.379 3.561 20 0 EHADRM Cc1cccc2c1CCCN2C(=O)c1c([O-])cnc2c(F)cccc21 ZINC001146352777 1137389488 /nfs/dbraw/zinc/38/94/88/1137389488.db2.gz GPEXTKXDLLSNBI-UHFFFAOYSA-N -1 0 336.366 3.981 20 0 EHADRM O=C(CC1=CCCCC1)Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1 ZINC001146738466 1137393187 /nfs/dbraw/zinc/39/31/87/1137393187.db2.gz FYZQXSXTLLQRSS-UHFFFAOYSA-N -1 0 345.420 3.916 20 0 EHADRM C[C@H]1CCC[C@H](C)N(C(=O)c2cc(Br)c(F)cc2[O-])C1 ZINC001147051574 1137399128 /nfs/dbraw/zinc/39/91/28/1137399128.db2.gz QAXMPJQSNRCORH-UWVGGRQHSA-N -1 0 344.224 3.945 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@@H](C(C)C)C3CC3)n2)cc1 ZINC001148374980 1137423698 /nfs/dbraw/zinc/42/36/98/1137423698.db2.gz JXUGKTYEAFRAHI-SFHVURJKSA-N -1 0 341.455 3.866 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC[C@H](c2cccnc2)C1 ZINC000869051851 1137434926 /nfs/dbraw/zinc/43/49/26/1137434926.db2.gz BFOZNRSUVDTYSJ-AWEZNQCLSA-N -1 0 339.420 3.531 20 0 EHADRM O=C(Nc1nsc2ncccc12)c1cc(Cl)cc(Cl)c1[O-] ZINC001148805180 1137435396 /nfs/dbraw/zinc/43/53/96/1137435396.db2.gz FRDZSUBDZBEFFX-UHFFFAOYSA-N -1 0 340.191 3.956 20 0 EHADRM CC(C)n1ccc(NC(=O)c2cc(Cl)cc(Cl)c2[O-])cc1=O ZINC001148814570 1137435723 /nfs/dbraw/zinc/43/57/23/1137435723.db2.gz VQWGDVHPILWQDU-UHFFFAOYSA-N -1 0 341.194 3.694 20 0 EHADRM CCc1oc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000339087651 1137436332 /nfs/dbraw/zinc/43/63/32/1137436332.db2.gz KXXSBEUZJIOJHP-UHFFFAOYSA-N -1 0 345.248 3.950 20 0 EHADRM Cc1cccc(Cc2cc(=O)n(-c3ncnc(Cl)c3C(C)C)[n-]2)c1 ZINC000871957393 1137563719 /nfs/dbraw/zinc/56/37/19/1137563719.db2.gz SZHPHLNWUMBCKC-UHFFFAOYSA-N -1 0 342.830 3.897 20 0 EHADRM CO[C@H]1CC[C@H](C)N(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC000872161346 1137574616 /nfs/dbraw/zinc/57/46/16/1137574616.db2.gz RVHPFPRAPHWUHE-LRDDRELGSA-N -1 0 346.452 3.508 20 0 EHADRM Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(F)c(C(F)F)c2)s1 ZINC000872402644 1137579366 /nfs/dbraw/zinc/57/93/66/1137579366.db2.gz MCWHNAVOPHVIOU-UHFFFAOYSA-N -1 0 336.360 3.637 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)c1sccc1C(F)F ZINC000872727177 1137583239 /nfs/dbraw/zinc/58/32/39/1137583239.db2.gz ZFWBSWTXLSMVIB-LLVKDONJSA-N -1 0 331.384 3.839 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000872736197 1137583429 /nfs/dbraw/zinc/58/34/29/1137583429.db2.gz NBXMQVVFNNCLFJ-OCCSQVGLSA-N -1 0 346.452 3.596 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)c1ccc(-c3ccccc3F)o1)CC2 ZINC000872768526 1137584061 /nfs/dbraw/zinc/58/40/61/1137584061.db2.gz JTJCTMVNDPPQQX-APWZRJJASA-N -1 0 343.354 3.555 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)c1cc(F)c(Cl)cc1Cl)CC2 ZINC000872771764 1137584259 /nfs/dbraw/zinc/58/42/59/1137584259.db2.gz YRZLYSPKAJERCV-DOMZBBRYSA-N -1 0 346.185 3.602 20 0 EHADRM CC(C)N(Cc1cccc(Cl)c1)C(=O)C(C)(C)SCC(=O)[O-] ZINC000872897694 1137586306 /nfs/dbraw/zinc/58/63/06/1137586306.db2.gz NDUIJQOVTMIMQV-UHFFFAOYSA-N -1 0 343.876 3.673 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)[C@](C)(CC)CC(=O)[O-])c1nc2ccccc2[nH]1 ZINC000872906360 1137586377 /nfs/dbraw/zinc/58/63/77/1137586377.db2.gz AEPSJTCLAFNVTF-JOKNJTHLSA-N -1 0 345.443 3.657 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000872907986 1137586387 /nfs/dbraw/zinc/58/63/87/1137586387.db2.gz WGSKVTBGODMIRC-MRXNPFEDSA-N -1 0 335.469 3.631 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000872917669 1137586621 /nfs/dbraw/zinc/58/66/21/1137586621.db2.gz JOPRZBDEYVVZNM-ZDUSSCGKSA-N -1 0 341.860 3.600 20 0 EHADRM Cc1ccc(-c2ccccc2NC(=O)C[C@@]2(C(=O)[O-])CCOC2)s1 ZINC000872994060 1137587633 /nfs/dbraw/zinc/58/76/33/1137587633.db2.gz KOBQNXIJVSHCSO-SFHVURJKSA-N -1 0 345.420 3.543 20 0 EHADRM CC(C)C[C@@](C)(CC(=O)[O-])C(=O)N[C@@H](C)c1cc2cnccc2o1 ZINC000873001786 1137587719 /nfs/dbraw/zinc/58/77/19/1137587719.db2.gz UTJORJLUACSSNR-SGTLLEGYSA-N -1 0 332.400 3.532 20 0 EHADRM Cc1ccc(-c2ccccc2NC(=O)C(=O)[N-]OC2CCCC2)s1 ZINC000873793323 1137606735 /nfs/dbraw/zinc/60/67/35/1137606735.db2.gz VGZIJPUYNJEMOC-UHFFFAOYSA-N -1 0 344.436 3.652 20 0 EHADRM CCN(C(=O)NCc1ccccc1C(=O)[O-])[C@H](C)c1ccc(F)cc1 ZINC000874408119 1137613763 /nfs/dbraw/zinc/61/37/63/1137613763.db2.gz AUAIDGPLCHMUQL-CYBMUJFWSA-N -1 0 344.386 3.817 20 0 EHADRM O=Cc1cccc(-c2cccc(-n3nc(C(=O)[O-])c4c3CCCC4)c2)c1 ZINC000874972098 1137627367 /nfs/dbraw/zinc/62/73/67/1137627367.db2.gz MWJWBEPGFHEKTA-UHFFFAOYSA-N -1 0 346.386 3.929 20 0 EHADRM O=C(Nc1cccc(O)c1F)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000127291152 1137726057 /nfs/dbraw/zinc/72/60/57/1137726057.db2.gz PSPAACZWYSAUPN-CYBMUJFWSA-N -1 0 330.142 3.510 20 0 EHADRM CCOc1ccccc1N(C)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000127557852 1137739773 /nfs/dbraw/zinc/73/97/73/1137739773.db2.gz DASVEAHOHLTMLI-UHFFFAOYSA-N -1 0 328.393 3.792 20 0 EHADRM O=C(CC[C@@H]1CCc2ccccc21)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000879901047 1137762115 /nfs/dbraw/zinc/76/21/15/1137762115.db2.gz KXBZVMYUYWDVSA-AWEZNQCLSA-N -1 0 348.406 3.626 20 0 EHADRM CC[C@H](C)CO[N-]C(=O)c1cc2cccc(C(F)(F)F)c2[nH]c1=O ZINC000880090575 1137767862 /nfs/dbraw/zinc/76/78/62/1137767862.db2.gz MCVVYDVFKMECBX-VIFPVBQESA-N -1 0 342.317 3.667 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C(C)=O)cc1 ZINC000129330323 1137817735 /nfs/dbraw/zinc/81/77/35/1137817735.db2.gz BJELFNVXVBSEDG-UHFFFAOYSA-N -1 0 335.450 3.720 20 0 EHADRM O=S(=O)([N-][C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)C1CCC1 ZINC000882132870 1137821880 /nfs/dbraw/zinc/82/18/80/1137821880.db2.gz UUSQORJBYBQARK-LLVKDONJSA-N -1 0 345.745 3.554 20 0 EHADRM CC[C@@H](NS(=O)(=O)c1cc(F)ccc1Cl)c1nc(C)cs1 ZINC000104759601 1137879244 /nfs/dbraw/zinc/87/92/44/1137879244.db2.gz KOMZBUINIFFYOW-LLVKDONJSA-N -1 0 348.852 3.674 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)N(C)Cc2ccccc2F)cc1 ZINC000108066895 1137888570 /nfs/dbraw/zinc/88/85/70/1137888570.db2.gz DUHIRGHFGHQNPW-XMMPIXPASA-N -1 0 347.455 3.715 20 0 EHADRM O=S(=O)(/C=C\c1ccccc1F)[N-]c1nccc2sccc21 ZINC000800041592 1137895508 /nfs/dbraw/zinc/89/55/08/1137895508.db2.gz KCJFJIOBXSYSFJ-YFHOEESVSA-N -1 0 334.397 3.848 20 0 EHADRM O=S(=O)(/C=C\c1ccccc1F)[N-]c1nc(C2CCC2)cs1 ZINC000800045968 1137895643 /nfs/dbraw/zinc/89/56/43/1137895643.db2.gz VHPAYLBATQHSMA-HJWRWDBZSA-N -1 0 338.429 3.962 20 0 EHADRM [O-]c1c(Cl)cccc1-c1nc(Cc2ccc3n[nH]cc3c2)no1 ZINC000800113833 1137898249 /nfs/dbraw/zinc/89/82/49/1137898249.db2.gz VGFYJPPLCVNCPB-UHFFFAOYSA-N -1 0 326.743 3.563 20 0 EHADRM Cc1nc(C2CCCC2)sc1C(=O)N=c1cc(C(F)(F)F)[n-][nH]1 ZINC000331428471 1137907977 /nfs/dbraw/zinc/90/79/77/1137907977.db2.gz SVQSICZURYLJGA-UHFFFAOYSA-N -1 0 344.362 3.525 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3C[C@H](C)C[C@H]3C)n2)cc1 ZINC000332089716 1137931330 /nfs/dbraw/zinc/93/13/30/1137931330.db2.gz ALJZGMLSZMXTIP-ZIAGYGMSSA-N -1 0 327.428 3.572 20 0 EHADRM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000332101281 1137931676 /nfs/dbraw/zinc/93/16/76/1137931676.db2.gz CLJLROLKYZRYPN-TZMCWYRMSA-N -1 0 344.484 3.667 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000332148570 1137933458 /nfs/dbraw/zinc/93/34/58/1137933458.db2.gz PNKYRNGJFOHBOT-GXTWGEPZSA-N -1 0 344.484 3.667 20 0 EHADRM CC(C)(C)c1ccc(C(=O)Cc2nc(=O)c3sccc3[n-]2)cc1 ZINC000053847836 1138048154 /nfs/dbraw/zinc/04/81/54/1138048154.db2.gz JHSVSMBIMDOSFB-UHFFFAOYSA-N -1 0 326.421 3.708 20 0 EHADRM CC[C@@H]1CCc2nc(NC(=O)c3s[n-]c(=O)c3Cl)sc2C1 ZINC000282951442 1138054309 /nfs/dbraw/zinc/05/43/09/1138054309.db2.gz HHCSJNAMAUNQNP-ZCFIWIBFSA-N -1 0 343.861 3.726 20 0 EHADRM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000122786614 1138262161 /nfs/dbraw/zinc/26/21/61/1138262161.db2.gz OHDQOIHEUSZBEO-QAPCUYQASA-N -1 0 341.455 3.515 20 0 EHADRM C/C=C/C[C@H](NC(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1)C(=O)[O-] ZINC000887382412 1138294148 /nfs/dbraw/zinc/29/41/48/1138294148.db2.gz HGUPQJKKRUNASK-QVWGBTSJSA-N -1 0 348.296 3.800 20 0 EHADRM CCC[C@@H](NC(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1)C(=O)[O-] ZINC000887382645 1138294468 /nfs/dbraw/zinc/29/44/68/1138294468.db2.gz NNDLSKXKDYAUMO-MNOVXSKESA-N -1 0 336.285 3.634 20 0 EHADRM Cc1nc(CN[C@@]2(C(=O)[O-])CCC(C)(C)c3ccccc32)cs1 ZINC000336863670 1138417716 /nfs/dbraw/zinc/41/77/16/1138417716.db2.gz JYFUWVOKKNVMHB-SFHVURJKSA-N -1 0 330.453 3.593 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)c2cc(F)cc3n[nH]nc32)cc1 ZINC000337493750 1138585435 /nfs/dbraw/zinc/58/54/35/1138585435.db2.gz PMAQFJMBOZVYST-JTQLQIEISA-N -1 0 344.415 3.700 20 0 EHADRM O=C(Nc1ccc2ccc(Cl)cc2n1)c1cc(=O)c2ccccc2[n-]1 ZINC000337505285 1138589036 /nfs/dbraw/zinc/58/90/36/1138589036.db2.gz HEGMYCCIFGQFRL-UHFFFAOYSA-N -1 0 349.777 3.982 20 0 EHADRM CCCc1cnc([N-]S(=O)(=O)c2cccc(SC)c2)s1 ZINC000337770412 1138664051 /nfs/dbraw/zinc/66/40/51/1138664051.db2.gz OBYBRTSVHVLYMI-UHFFFAOYSA-N -1 0 328.484 3.618 20 0 EHADRM Cc1cccc(S([O-])=CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)c1 ZINC000134040302 1138669987 /nfs/dbraw/zinc/66/99/87/1138669987.db2.gz LCIZLCYLTXHJEX-QKFKETGDSA-N -1 0 349.883 3.976 20 0 EHADRM CC[C@H](C)c1ncc([N-]S(=O)(=O)c2cccc(SC)c2)cn1 ZINC000337870133 1138686870 /nfs/dbraw/zinc/68/68/70/1138686870.db2.gz QPPRYTVIQZENAK-NSHDSACASA-N -1 0 337.470 3.513 20 0 EHADRM CO[C@H](C)c1nc(=N[C@H](C)c2ccc(-c3ccncc3)cc2)s[n-]1 ZINC000337886329 1138691002 /nfs/dbraw/zinc/69/10/02/1138691002.db2.gz YCXIEMYOLGZIQG-CHWSQXEVSA-N -1 0 340.452 3.903 20 0 EHADRM CO[C@@H](C)c1nc(=NCc2ccc(-c3ccc(F)cc3)o2)s[n-]1 ZINC000337939659 1138702399 /nfs/dbraw/zinc/70/23/99/1138702399.db2.gz ZJHOWLWOIZTQLM-JTQLQIEISA-N -1 0 333.388 3.679 20 0 EHADRM Cc1c(F)nccc1Nc1ccc2ccccc2c1S(=O)(=O)[O-] ZINC001212843995 1138754730 /nfs/dbraw/zinc/75/47/30/1138754730.db2.gz QBRRYRBPYQQCLT-UHFFFAOYSA-N -1 0 332.356 3.673 20 0 EHADRM O=C(NCC1(Sc2ccccc2)CC1)c1s[n-]c(=O)c1Cl ZINC000283020241 1138787849 /nfs/dbraw/zinc/78/78/49/1138787849.db2.gz JTPCYDSQQVRSBC-UHFFFAOYSA-N -1 0 340.857 3.557 20 0 EHADRM CC(C)c1nc(/C=C/c2cccc3c2OCCCO3)ncc1C(=O)[O-] ZINC000265444369 1138898620 /nfs/dbraw/zinc/89/86/20/1138898620.db2.gz LULLLMYMMQVERR-BQYQJAHWSA-N -1 0 340.379 3.630 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2nc(=O)c3sccc3[n-]2)o1 ZINC000173997372 1139391924 /nfs/dbraw/zinc/39/19/24/1139391924.db2.gz CRQUKSOUGQFPPI-RISCZKNCSA-N -1 0 343.452 3.859 20 0 EHADRM CC(C)(C)OC(=O)NCC(C)(C)C(=O)Nc1cccc(Cl)c1[O-] ZINC000176882349 1139583960 /nfs/dbraw/zinc/58/39/60/1139583960.db2.gz AYXMRJRHQLALRQ-UHFFFAOYSA-N -1 0 342.823 3.535 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)CCCC(C)(C)C)c1Cl ZINC000777350214 1139805115 /nfs/dbraw/zinc/80/51/15/1139805115.db2.gz NLBRZRRUATVXRS-UHFFFAOYSA-N -1 0 331.865 3.670 20 0 EHADRM Cc1cc(/C=C/C(=O)NC[C@H](C)CC(=O)[O-])c(C)n1C1CCCCC1 ZINC000777396445 1140039152 /nfs/dbraw/zinc/03/91/52/1140039152.db2.gz GEOIGMPCYVSHJB-ATWMFIQVSA-N -1 0 346.471 3.850 20 0 EHADRM CCc1cc(=O)[nH]c(CN[C@@H](C)c2cccc(Cl)c2Cl)n1 ZINC000183754755 1140056345 /nfs/dbraw/zinc/05/63/45/1140056345.db2.gz LSQHEUDWFXIPAL-VIFPVBQESA-N -1 0 326.227 3.902 20 0 EHADRM C[C@H](C1CC1)n1cc([N-]S(=O)(=O)c2cccc(C(F)F)c2)cn1 ZINC000780403655 1140149252 /nfs/dbraw/zinc/14/92/52/1140149252.db2.gz UDZPVUHSVFQTJY-SNVBAGLBSA-N -1 0 341.383 3.593 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)C2=Cc3ccccc3OCC2)on1 ZINC000186425780 1140203027 /nfs/dbraw/zinc/20/30/27/1140203027.db2.gz BQUUHOBPMZXXLH-UHFFFAOYSA-N -1 0 348.424 3.537 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1cnc(C(C)C)s1 ZINC000191109243 1140436511 /nfs/dbraw/zinc/43/65/11/1140436511.db2.gz WFHUJNUGSVLWEI-CYBMUJFWSA-N -1 0 332.425 3.521 20 0 EHADRM O=C([O-])C1CCC(C(=O)N2CC[C@@H](CSc3ccccc3)C2)CC1 ZINC000194424845 1140608411 /nfs/dbraw/zinc/60/84/11/1140608411.db2.gz UPVAPVDTEYMRSO-QQFBHYJXSA-N -1 0 347.480 3.518 20 0 EHADRM O=S(=O)([N-]c1nnc(C2CC2)o1)c1ccc(C2CCCCC2)cc1 ZINC000194730025 1140619950 /nfs/dbraw/zinc/61/99/50/1140619950.db2.gz ITVLTVHKKXRZMC-UHFFFAOYSA-N -1 0 347.440 3.796 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2nnc(C3CCCCC3)o2)c1 ZINC000194786856 1140622556 /nfs/dbraw/zinc/62/25/56/1140622556.db2.gz JHANAANTBMJYLP-UHFFFAOYSA-N -1 0 335.429 3.535 20 0 EHADRM O=C(c1c([O-])cc(Cl)cc1Cl)N1CCCC2(CCOCC2)C1 ZINC000267479513 1140796006 /nfs/dbraw/zinc/79/60/06/1140796006.db2.gz BPZPQRPWIRXECW-UHFFFAOYSA-N -1 0 344.238 3.732 20 0 EHADRM CC(C)COC1CCN(C(=O)c2c([O-])cc(Cl)cc2Cl)CC1 ZINC000267534410 1140801367 /nfs/dbraw/zinc/80/13/67/1140801367.db2.gz XOUWELVNYIFVTE-UHFFFAOYSA-N -1 0 346.254 3.976 20 0 EHADRM Cc1ncn(-c2ccc(NC(=O)c3cccc(F)c3[O-])cc2)c1C ZINC001274416646 1140927162 /nfs/dbraw/zinc/92/71/62/1140927162.db2.gz BWQMIQCZWGIVQR-UHFFFAOYSA-N -1 0 325.343 3.586 20 0 EHADRM Cc1cccc(OCCCCC(=O)NCCCCCCC(=O)[O-])c1 ZINC000268948626 1141033453 /nfs/dbraw/zinc/03/34/53/1141033453.db2.gz YCAJGDMTDYHETD-UHFFFAOYSA-N -1 0 335.444 3.695 20 0 EHADRM O=S(=O)([N-]c1cccc(-n2cccc2)c1)c1cc(F)ccc1F ZINC000339122606 1141503430 /nfs/dbraw/zinc/50/34/30/1141503430.db2.gz BSGNXKJJWXIGQN-UHFFFAOYSA-N -1 0 334.347 3.556 20 0 EHADRM C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1s[n-]c(=O)c1Cl ZINC000339250667 1141540441 /nfs/dbraw/zinc/54/04/41/1141540441.db2.gz XIOYMOLHOKQCQL-ZCFIWIBFSA-N -1 0 332.759 3.614 20 0 EHADRM CCOCCC1(CNC(=O)CC2(CC(=O)[O-])CCCC2)CCCC1 ZINC000348729170 1141572358 /nfs/dbraw/zinc/57/23/58/1141572358.db2.gz RFWBLGZNBIOZDG-UHFFFAOYSA-N -1 0 339.476 3.515 20 0 EHADRM CC[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1nc2ccccc2[nH]1 ZINC000348875536 1141601690 /nfs/dbraw/zinc/60/16/90/1141601690.db2.gz KSOYYCPPCSSURO-JTQLQIEISA-N -1 0 349.312 3.567 20 0 EHADRM CC[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1nc2ccccc2[nH]1 ZINC000348875537 1141601907 /nfs/dbraw/zinc/60/19/07/1141601907.db2.gz KSOYYCPPCSSURO-SNVBAGLBSA-N -1 0 349.312 3.567 20 0 EHADRM Cc1nc(C=Cc2cc(Cl)cc(Cl)c2)[nH]c(=O)c1CC(=O)[O-] ZINC000349106957 1141639862 /nfs/dbraw/zinc/63/98/62/1141639862.db2.gz ISGIPCRDNAGRCC-IHWYPQMZSA-N -1 0 339.178 3.595 20 0 EHADRM CC(C=Cc1nc(C)c(CC(=O)[O-])c(=O)[nH]1)=Cc1ccc(Cl)cc1 ZINC000349113284 1141641289 /nfs/dbraw/zinc/64/12/89/1141641289.db2.gz QWFQRKXPGZSKJU-DZPXRCBBSA-N -1 0 344.798 3.888 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2nnc(-c3ccccc3)s2)CCCC1 ZINC000010150871 201794092 /nfs/dbraw/zinc/79/40/92/201794092.db2.gz WPQVGIOJDPPBEQ-UHFFFAOYSA-N -1 0 345.424 3.569 20 0 EHADRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2c(F)cccc2Cl)n[nH]1 ZINC000097146191 203928179 /nfs/dbraw/zinc/92/81/79/203928179.db2.gz BSSRDYZKJUEAEW-SECBINFHSA-N -1 0 345.827 3.907 20 0 EHADRM CCOc1ccc(NS(=O)(=O)c2cccc(Cl)c2[O-])c(C)c1 ZINC000436478356 450603307 /nfs/dbraw/zinc/60/33/07/450603307.db2.gz PTAMFJAAAFTAMK-UHFFFAOYSA-N -1 0 341.816 3.554 20 0 EHADRM C[C@H](NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)c1c(F)cccc1F ZINC000298816377 524983044 /nfs/dbraw/zinc/98/30/44/524983044.db2.gz LVYOPJCZKDGWOA-HXPMCKFVSA-N -1 0 347.361 3.575 20 0 EHADRM CSc1ccc(Cl)c(C(=O)NCCCCCCC(=O)[O-])c1 ZINC000037411228 526011839 /nfs/dbraw/zinc/01/18/39/526011839.db2.gz CEORFWACZKYMIR-UHFFFAOYSA-N -1 0 329.849 3.827 20 0 EHADRM O=C([O-])CCCCCCNC(=O)CSc1ccccc1Cl ZINC000036966531 527577622 /nfs/dbraw/zinc/57/76/22/527577622.db2.gz JQAGCNMCXQKRMU-UHFFFAOYSA-N -1 0 329.849 3.583 20 0 EHADRM O=C([O-])CCCCCCNC(=O)CSc1ccc(Cl)cc1 ZINC000037411273 527578170 /nfs/dbraw/zinc/57/81/70/527578170.db2.gz KJFGZYSTNBUPIW-UHFFFAOYSA-N -1 0 329.849 3.583 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1cc(F)c(Cl)cc1Cl ZINC000036968272 527578993 /nfs/dbraw/zinc/57/89/93/527578993.db2.gz XXFLZTUYJZYTMI-UHFFFAOYSA-N -1 0 336.190 3.897 20 0 EHADRM O=C([O-])C[C@@H]1CCC[N@H+](CCOc2cc(Cl)ccc2Cl)CC1 ZINC000299742424 563913316 /nfs/dbraw/zinc/91/33/16/563913316.db2.gz HWHTZENEGHYSEV-GFCCVEGCSA-N -1 0 346.254 3.949 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N(CCC(F)(F)F)CC1CC1 ZINC000819602986 596934302 /nfs/dbraw/zinc/93/43/02/596934302.db2.gz PYZLOPUYPRZHEX-UHFFFAOYSA-N -1 0 344.333 3.510 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2sc3ccccc3c2Cl)C1 ZINC000315044148 597103424 /nfs/dbraw/zinc/10/34/24/597103424.db2.gz LIDCCIQLPWAMBN-JTQLQIEISA-N -1 0 337.828 3.882 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2ccc(Oc3cccnc3)cc2)cc1 ZINC000238133535 597151652 /nfs/dbraw/zinc/15/16/52/597151652.db2.gz SEYLYMWSTCGJSI-UHFFFAOYSA-N -1 0 348.358 3.502 20 0 EHADRM Cc1cc(OC(C)C)ccc1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000567572230 597173084 /nfs/dbraw/zinc/17/30/84/597173084.db2.gz JTQMRAWLOZFJCH-UHFFFAOYSA-N -1 0 342.395 3.802 20 0 EHADRM Cc1c2ccccc2oc1CNC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000738202648 597188257 /nfs/dbraw/zinc/18/82/57/597188257.db2.gz UDPDFSVCURKRKP-UHFFFAOYSA-N -1 0 338.363 3.690 20 0 EHADRM CN(Cc1csc2ccccc12)C(=O)NCCCCCC(=O)[O-] ZINC000414620679 597236078 /nfs/dbraw/zinc/23/60/78/597236078.db2.gz DLCBUUQLKMYASZ-UHFFFAOYSA-N -1 0 334.441 3.688 20 0 EHADRM O=C([O-])CCCNC(=O)c1ccc(SCc2ccccc2)cc1 ZINC000237985724 597282037 /nfs/dbraw/zinc/28/20/37/597282037.db2.gz IIVYHLCXBDOJNM-UHFFFAOYSA-N -1 0 329.421 3.574 20 0 EHADRM C[C@@H](c1ccccc1)n1cnnc1SCc1ccc(C(=O)[O-])cc1 ZINC000818071738 597297268 /nfs/dbraw/zinc/29/72/68/597297268.db2.gz XCFMGQWWIOEGED-ZDUSSCGKSA-N -1 0 339.420 3.878 20 0 EHADRM CC(C)N(Cc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000243527367 597300611 /nfs/dbraw/zinc/30/06/11/597300611.db2.gz OBHGAIMRWUGVSP-UHFFFAOYSA-N -1 0 326.396 3.505 20 0 EHADRM CCN(C(=O)NCCCC(=O)[O-])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000263509820 597306460 /nfs/dbraw/zinc/30/64/60/597306460.db2.gz YKXNYIBSOHQDBZ-NSHDSACASA-N -1 0 346.349 3.663 20 0 EHADRM C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818120843 597334909 /nfs/dbraw/zinc/33/49/09/597334909.db2.gz UTKRDUQHHKTKHQ-LBPRGKRZSA-N -1 0 342.370 3.604 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2CC(=O)[O-])c(C)c1 ZINC000818878999 597342411 /nfs/dbraw/zinc/34/24/11/597342411.db2.gz CKQSPZNSMYCTBT-CQSZACIVSA-N -1 0 326.396 3.813 20 0 EHADRM C[S@](=O)Cc1cc(NCc2cccc(C(=O)[O-])c2)ccc1Cl ZINC000820900144 597735078 /nfs/dbraw/zinc/73/50/78/597735078.db2.gz QGNLHHXEWNEDJF-QFIPXVFZSA-N -1 0 337.828 3.529 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc([C@@H]3CCCOC3)c2)c(F)c1 ZINC000821546508 598086601 /nfs/dbraw/zinc/08/66/01/598086601.db2.gz VJXXGQFKLFUGCW-OAHLLOKOSA-N -1 0 343.354 3.670 20 0 EHADRM COc1ccc(NC2CCC(C(=O)[O-])CC2)cc1OCC(F)(F)F ZINC000820846209 598101911 /nfs/dbraw/zinc/10/19/11/598101911.db2.gz ZWQMKEBPXNSONE-UHFFFAOYSA-N -1 0 347.333 3.692 20 0 EHADRM CCCC(=O)Nc1cccc(NC(=O)c2cccc(C(=O)[O-])c2)c1C ZINC000820303722 598140919 /nfs/dbraw/zinc/14/09/19/598140919.db2.gz IHWFJMHCHAXTNE-UHFFFAOYSA-N -1 0 340.379 3.684 20 0 EHADRM CC(=O)N(Cc1ccc(NCc2cccc(C(=O)[O-])c2)cc1)C1CC1 ZINC000263469772 598204916 /nfs/dbraw/zinc/20/49/16/598204916.db2.gz LAPWLSGWQVYYKS-UHFFFAOYSA-N -1 0 338.407 3.508 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)cc1 ZINC000262276925 599702613 /nfs/dbraw/zinc/70/26/13/599702613.db2.gz IBQXISPXHQVVQV-UHFFFAOYSA-N -1 0 341.382 3.619 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000738121589 599705196 /nfs/dbraw/zinc/70/51/96/599705196.db2.gz RKIBPUDCCUQSGW-IIANPFDCSA-N -1 0 330.336 3.694 20 0 EHADRM O=C([O-])NCCCC(=O)Nc1nc(-c2ccc(Cl)s2)cs1 ZINC000739965635 599707369 /nfs/dbraw/zinc/70/73/69/599707369.db2.gz COGAAVGVCWAWQF-UHFFFAOYSA-N -1 0 345.833 3.511 20 0 EHADRM CCCC[C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)[O-] ZINC000736984143 599708806 /nfs/dbraw/zinc/70/88/06/599708806.db2.gz HBZCASSSLKNXAV-CYBMUJFWSA-N -1 0 335.429 3.532 20 0 EHADRM Cc1c(NC(=O)N(C)C[C@H](C)c2ccccc2)cccc1C(=O)[O-] ZINC000738300410 599711253 /nfs/dbraw/zinc/71/12/53/599711253.db2.gz VPWQFQKHJYRRKI-ZDUSSCGKSA-N -1 0 326.396 3.961 20 0 EHADRM C[C@H](c1cccnc1)N(C)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736725255 599713481 /nfs/dbraw/zinc/71/34/81/599713481.db2.gz QJFKTLSJAPSCOX-SNVBAGLBSA-N -1 0 332.335 3.536 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)ccc1F ZINC000740006757 599715320 /nfs/dbraw/zinc/71/53/20/599715320.db2.gz WLYCHRJJZXFUIN-TZMCWYRMSA-N -1 0 347.321 3.732 20 0 EHADRM O=C([O-])c1cccc(NC(=O)Cc2ccc(Cl)cc2Cl)c1O ZINC000317480718 599718918 /nfs/dbraw/zinc/71/89/18/599718918.db2.gz DNTCBJPKTWZQPV-UHFFFAOYSA-N -1 0 340.162 3.578 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)C(=O)Nc2cccc(C(=O)[O-])c2O)c1 ZINC000736703241 599721268 /nfs/dbraw/zinc/72/12/68/599721268.db2.gz ABEOGEUILGVLDB-LBPRGKRZSA-N -1 0 343.379 3.620 20 0 EHADRM O=C([O-])c1cc(Oc2ccccc2)ccc1NC(=O)C1=COCCC1 ZINC000739474192 599727607 /nfs/dbraw/zinc/72/76/07/599727607.db2.gz BCQUBEMYRMCHHH-UHFFFAOYSA-N -1 0 339.347 3.810 20 0 EHADRM C[C@@H](NC(=O)CCCNC(=O)[O-])c1ccc(Oc2ccccc2)cc1 ZINC000736636975 599730016 /nfs/dbraw/zinc/73/00/16/599730016.db2.gz PODNTZNXHPEPKV-CQSZACIVSA-N -1 0 342.395 3.704 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)Nc2cccc(C(F)F)c2)c(C)c1C(=O)[O-] ZINC000738236622 599734664 /nfs/dbraw/zinc/73/46/64/599734664.db2.gz NOQSGNFEASLKOO-JTQLQIEISA-N -1 0 336.338 3.951 20 0 EHADRM CN(CCCC(=O)N(Cc1ccc2ccccc2c1)C1CC1)C(=O)[O-] ZINC000737418691 599740137 /nfs/dbraw/zinc/74/01/37/599740137.db2.gz SFLVLZRSGQEFBJ-UHFFFAOYSA-N -1 0 340.423 3.721 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1cn(CC(C)C)c2ccccc12)C(=O)[O-] ZINC000737238495 599744432 /nfs/dbraw/zinc/74/44/32/599744432.db2.gz JNLMWMCGASRVGV-GUYCJALGSA-N -1 0 330.428 3.526 20 0 EHADRM CN(CCCC(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000737421201 599745752 /nfs/dbraw/zinc/74/57/52/599745752.db2.gz DVEDYZVUIQBSCC-UHFFFAOYSA-N -1 0 347.242 3.735 20 0 EHADRM Cc1cccc(-c2cccc(CNC(=O)CCCN(C)C(=O)[O-])c2)c1 ZINC000738680987 599750748 /nfs/dbraw/zinc/75/07/48/599750748.db2.gz OYAMUFCKTNZWSW-UHFFFAOYSA-N -1 0 340.423 3.668 20 0 EHADRM Cc1cc(COC(=O)[C@]2(C)CCCc3ccccc32)oc1C(=O)[O-] ZINC000738391630 599752208 /nfs/dbraw/zinc/75/22/08/599752208.db2.gz CNKPYYPBKUTBQL-LJQANCHMSA-N -1 0 328.364 3.624 20 0 EHADRM CC(C)c1ccc(NC(=O)/C=C\c2cncc(F)c2)c(C(=O)[O-])c1 ZINC000736514129 599752999 /nfs/dbraw/zinc/75/29/99/599752999.db2.gz NNBFYLDHXFSCLP-UTCJRWHESA-N -1 0 328.343 3.694 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)c2cnc(C3CC3)s2)c1 ZINC000532001993 599753068 /nfs/dbraw/zinc/75/30/68/599753068.db2.gz LAYFBHFKHXZXQR-UHFFFAOYSA-N -1 0 348.449 3.591 20 0 EHADRM CC(C)c1ccc(NC(=O)/C=C/c2cncc(F)c2)c(C(=O)[O-])c1 ZINC000736514130 599753319 /nfs/dbraw/zinc/75/33/19/599753319.db2.gz NNBFYLDHXFSCLP-ZZXKWVIFSA-N -1 0 328.343 3.694 20 0 EHADRM CN(CCCC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1)C(=O)[O-] ZINC000737423867 599765429 /nfs/dbraw/zinc/76/54/29/599765429.db2.gz UYXMRDPEXDMWCA-MRXNPFEDSA-N -1 0 338.835 3.687 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1 ZINC000238032353 599766575 /nfs/dbraw/zinc/76/65/75/599766575.db2.gz UBGDECDPWNLLIY-UHFFFAOYSA-N -1 0 339.725 3.888 20 0 EHADRM CC(C)c1ccc(C(C)(C)NC(=O)c2ccc(C(=O)[O-])cn2)cc1 ZINC000736513650 599774771 /nfs/dbraw/zinc/77/47/71/599774771.db2.gz ULYBSWXDXNBAIL-UHFFFAOYSA-N -1 0 326.396 3.568 20 0 EHADRM Cc1ccc(-c2cc(C(=O)NC[C@H](C)C(=O)[O-])c3ccccc3n2)cc1 ZINC000738486668 599779304 /nfs/dbraw/zinc/77/93/04/599779304.db2.gz FVROPTYBYWNEIT-AWEZNQCLSA-N -1 0 348.402 3.661 20 0 EHADRM Cc1oc(-c2cccs2)nc1CN[C@@H](C(=O)[O-])c1ccccc1 ZINC000320614028 599782891 /nfs/dbraw/zinc/78/28/91/599782891.db2.gz HDQYYWRJDIHAEH-OAHLLOKOSA-N -1 0 328.393 3.627 20 0 EHADRM O=C([O-])NCCC(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1 ZINC000739948714 599784334 /nfs/dbraw/zinc/78/43/34/599784334.db2.gz XMADGWBINKTUJE-UHFFFAOYSA-N -1 0 347.802 3.548 20 0 EHADRM O=C([O-])c1ccccc1C(=O)OCc1c(Cl)ccc2cccnc21 ZINC000740240765 599786286 /nfs/dbraw/zinc/78/62/86/599786286.db2.gz FXGUIYDUPQSEHY-UHFFFAOYSA-N -1 0 341.750 3.943 20 0 EHADRM Cc1ccc(C)c(OCCCOC(=O)c2ccccc2C(=O)[O-])c1 ZINC000738576877 599788358 /nfs/dbraw/zinc/78/83/58/599788358.db2.gz HMYHFGUBIYJWEG-UHFFFAOYSA-N -1 0 328.364 3.628 20 0 EHADRM O=C([O-])c1ccoc1COC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000740252104 599791303 /nfs/dbraw/zinc/79/13/03/599791303.db2.gz KTBRNQMCNAMVFC-DLBZAZTESA-N -1 0 336.343 3.978 20 0 EHADRM C[C@@H](NC(=O)NCCCCC(=O)[O-])c1cc(Cl)ccc1Cl ZINC000666523711 599793088 /nfs/dbraw/zinc/79/30/88/599793088.db2.gz BANMJDWZIPSIBS-SECBINFHSA-N -1 0 333.215 3.609 20 0 EHADRM CN(CC(=O)N(Cc1cccc2ccccc21)C1CCCC1)C(=O)[O-] ZINC000737385861 599799009 /nfs/dbraw/zinc/79/90/09/599799009.db2.gz VIDONJXOZWWFDS-UHFFFAOYSA-N -1 0 340.423 3.721 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F)C1CC1 ZINC000736547953 599799392 /nfs/dbraw/zinc/79/93/92/599799392.db2.gz GUXQBUSJVQFFNR-VIFPVBQESA-N -1 0 345.317 3.701 20 0 EHADRM O=C([O-])c1ccc(-c2ccc(C(=O)OCc3ccncc3)cc2)cc1 ZINC000740097305 599801644 /nfs/dbraw/zinc/80/16/44/599801644.db2.gz FRCFKXKXECTESG-UHFFFAOYSA-N -1 0 333.343 3.804 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)Nc2nc3c(s2)CCCC3)cc1 ZINC000325905862 599804272 /nfs/dbraw/zinc/80/42/72/599804272.db2.gz YHMHEECCKYJLDC-UHFFFAOYSA-N -1 0 345.424 3.683 20 0 EHADRM COc1ccc(COCCOc2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000220251266 599804597 /nfs/dbraw/zinc/80/45/97/599804597.db2.gz WXVIYQJJQPAXFQ-UHFFFAOYSA-N -1 0 336.771 3.642 20 0 EHADRM COc1ccc(NC(=S)Nc2ccc(N(C)C(=O)[O-])cc2)cc1F ZINC000738039804 599806604 /nfs/dbraw/zinc/80/66/04/599806604.db2.gz OYGZZOULDSZMBT-UHFFFAOYSA-N -1 0 349.387 3.757 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000013258715 599806710 /nfs/dbraw/zinc/80/67/10/599806710.db2.gz NFQBRWIPOXPBAP-ZDUSSCGKSA-N -1 0 345.782 3.536 20 0 EHADRM CCCCC[C@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC000736984608 599807303 /nfs/dbraw/zinc/80/73/03/599807303.db2.gz OLLQRIMKCYOEBB-INIZCTEOSA-N -1 0 326.396 3.831 20 0 EHADRM O=C([O-])c1ccc(OC(=O)c2csc(-c3ccoc3)n2)c(Cl)c1 ZINC000740160272 599808948 /nfs/dbraw/zinc/80/89/48/599808948.db2.gz JGTOWFZLJDBNTH-UHFFFAOYSA-N -1 0 349.751 3.974 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1C(=O)CC1CCC(c2ccccc2)CC1 ZINC000238029163 599811654 /nfs/dbraw/zinc/81/16/54/599811654.db2.gz ZPLGYCORRHNZAV-VJFUWPCTSA-N -1 0 329.440 3.816 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N(C)c1ccccc1F)C(=O)[O-] ZINC000736712881 599811975 /nfs/dbraw/zinc/81/19/75/599811975.db2.gz QNCQISBSUMYIDW-LLVKDONJSA-N -1 0 333.384 3.668 20 0 EHADRM Cc1cccc2c1CC[C@@H]2NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000738746973 599817219 /nfs/dbraw/zinc/81/72/19/599817219.db2.gz AZGKNFZCHHSSEA-HNNXBMFYSA-N -1 0 346.333 3.780 20 0 EHADRM CC[C@@H](NC(=O)Nc1cccc(NC(=O)[O-])c1)c1nc(C)cs1 ZINC000736914991 599818875 /nfs/dbraw/zinc/81/88/75/599818875.db2.gz YPUUMNURRHCORR-GFCCVEGCSA-N -1 0 334.401 3.814 20 0 EHADRM CCCCc1ccc(C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)cc1 ZINC000392287606 599821882 /nfs/dbraw/zinc/82/18/82/599821882.db2.gz YKRFKMZPMUQKBY-SFHVURJKSA-N -1 0 339.391 3.522 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)NC2C3CC4CC(C3)CC2C4)cc1 ZINC000328324474 599823408 /nfs/dbraw/zinc/82/34/08/599823408.db2.gz FXPBABQQQDSHSE-UHFFFAOYSA-N -1 0 342.439 3.650 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000327438472 599824653 /nfs/dbraw/zinc/82/46/53/599824653.db2.gz GELDWUZGTZROIX-CYBMUJFWSA-N -1 0 342.395 3.595 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1c(F)cccc1F ZINC000736649826 599824718 /nfs/dbraw/zinc/82/47/18/599824718.db2.gz WQSVWALFSPHDBU-NSHDSACASA-N -1 0 348.349 3.865 20 0 EHADRM COc1cccc([C@H](C)NC(=O)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC000738093063 599825105 /nfs/dbraw/zinc/82/51/05/599825105.db2.gz URLSOOHHXJRCAZ-ZDUSSCGKSA-N -1 0 342.395 3.595 20 0 EHADRM Cc1ccc([C@H](NC(=O)CCC(=O)[O-])c2ccc(F)cc2Cl)cc1 ZINC000738261555 599834229 /nfs/dbraw/zinc/83/42/29/599834229.db2.gz NZAHXZGTUVZMNU-SFHVURJKSA-N -1 0 349.789 3.858 20 0 EHADRM Cc1cc(Br)ccc1C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000036829330 599837067 /nfs/dbraw/zinc/83/70/67/599837067.db2.gz VHJBNTFCYBATCG-UHFFFAOYSA-N -1 0 348.196 3.732 20 0 EHADRM CN(C(=O)CCOc1ccc2ccccc2c1)c1ccccc1C(=O)[O-] ZINC000737319353 599838749 /nfs/dbraw/zinc/83/87/49/599838749.db2.gz IMLNBVOEGIMNDF-UHFFFAOYSA-N -1 0 349.386 3.970 20 0 EHADRM CN(CCCC(=O)OC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000737432636 599839070 /nfs/dbraw/zinc/83/90/70/599839070.db2.gz AOKWWZOYPCWNJL-UHFFFAOYSA-N -1 0 325.364 3.690 20 0 EHADRM CN(CCCC(=O)N(Cc1ccccc1F)c1ccccc1)C(=O)[O-] ZINC000737419306 599840462 /nfs/dbraw/zinc/84/04/62/599840462.db2.gz WFTXPJCYZNPJLU-UHFFFAOYSA-N -1 0 344.386 3.749 20 0 EHADRM CC(C)c1cccc(OCC(=O)Nc2cccc(F)c2C(=O)[O-])c1 ZINC000392209194 599843831 /nfs/dbraw/zinc/84/38/31/599843831.db2.gz KSNHKBZRPCWRCP-UHFFFAOYSA-N -1 0 331.343 3.665 20 0 EHADRM Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000390726520 599847779 /nfs/dbraw/zinc/84/77/79/599847779.db2.gz LTGIUMCQQKVSNU-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)/C=C/c2ccsc2)cc1 ZINC000492351507 599848361 /nfs/dbraw/zinc/84/83/61/599848361.db2.gz UHJGTWPWTMHJDM-MCFICARUSA-N -1 0 347.461 3.815 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(C)ccc2C)cc1 ZINC000237351404 599848800 /nfs/dbraw/zinc/84/88/00/599848800.db2.gz MRPFZQVLFYEGFJ-QGZVFWFLSA-N -1 0 343.448 3.971 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccccc2C)cc1 ZINC000237363377 599849155 /nfs/dbraw/zinc/84/91/55/599849155.db2.gz ZRWXRQPCMVBCTL-INIZCTEOSA-N -1 0 329.421 3.663 20 0 EHADRM O=C([O-])c1cccc(OCCOC(=O)c2cccc(C(F)F)c2)c1 ZINC000740232762 599866464 /nfs/dbraw/zinc/86/64/64/599866464.db2.gz WCHGQUNCDCEWSS-UHFFFAOYSA-N -1 0 336.290 3.558 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)OCc1coc(-c2ccccc2)n1 ZINC000740053831 599868367 /nfs/dbraw/zinc/86/83/67/599868367.db2.gz BDRMGVJKHUIXBF-UHFFFAOYSA-N -1 0 338.319 3.789 20 0 EHADRM O=C([O-])c1coc(COC(=O)c2cc3c(ccc4ccccc34)[nH]2)c1 ZINC000740269554 599877416 /nfs/dbraw/zinc/87/74/16/599877416.db2.gz IOTPJXHTLCXSJQ-UHFFFAOYSA-N -1 0 335.315 3.969 20 0 EHADRM Cc1cc(COC(=O)C[C@@H]2CCCc3ccccc32)oc1C(=O)[O-] ZINC000738393764 599877466 /nfs/dbraw/zinc/87/74/66/599877466.db2.gz YZCJSOSJGZFZHS-AWEZNQCLSA-N -1 0 328.364 3.840 20 0 EHADRM O=C([O-])c1coc(COC(=O)c2occc2COc2ccccc2)c1 ZINC000740269586 599880012 /nfs/dbraw/zinc/88/00/12/599880012.db2.gz OPGFWZNBIIMQRK-UHFFFAOYSA-N -1 0 342.303 3.507 20 0 EHADRM Cc1sc(NC(=O)N2CCC[C@@H]2c2ccncc2)c(C(=O)[O-])c1C ZINC000324848749 599880087 /nfs/dbraw/zinc/88/00/87/599880087.db2.gz DPROMPJXMYUVDI-CYBMUJFWSA-N -1 0 345.424 3.827 20 0 EHADRM Cc1c(C(=O)OCc2cc(C(=O)[O-])co2)sc2cccc(F)c12 ZINC000738285289 599880235 /nfs/dbraw/zinc/88/02/35/599880235.db2.gz BSPGVWHUUGXIEY-UHFFFAOYSA-N -1 0 334.324 3.997 20 0 EHADRM Cc1csc(NC(=O)NCc2c3ccccc3sc2C(=O)[O-])n1 ZINC000738820761 599880976 /nfs/dbraw/zinc/88/09/76/599880976.db2.gz KCBYGGIHRMJFDE-UHFFFAOYSA-N -1 0 347.421 3.686 20 0 EHADRM CCC[C@H]1CCCC[C@H]1NC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000736975935 599881701 /nfs/dbraw/zinc/88/17/01/599881701.db2.gz VHSIPINNXUTORS-XJKSGUPXSA-N -1 0 336.432 3.787 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C\C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000729830462 599884797 /nfs/dbraw/zinc/88/47/97/599884797.db2.gz SYFMLAYSXJGZCD-QYMJWVLRSA-N -1 0 345.439 3.781 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cccc(OC3CCCC3)c2)c1 ZINC000238227887 599888396 /nfs/dbraw/zinc/88/83/96/599888396.db2.gz JASUFWRPWDSUFA-UHFFFAOYSA-N -1 0 325.364 3.959 20 0 EHADRM O=C([O-])C1(NC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)CCCCC1 ZINC000238054118 599890758 /nfs/dbraw/zinc/89/07/58/599890758.db2.gz XPIFQYHEAULNSS-ROUUACIJSA-N -1 0 337.419 3.847 20 0 EHADRM Cc1ccccc1C1(CNC(=O)Nc2cccc(NC(=O)[O-])c2)CC1 ZINC000738759780 599892537 /nfs/dbraw/zinc/89/25/37/599892537.db2.gz AEDFGKLMSXAPGL-UHFFFAOYSA-N -1 0 339.395 3.938 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)c1 ZINC000740027189 599897952 /nfs/dbraw/zinc/89/79/52/599897952.db2.gz OOFWYRQXVZWAHQ-UHFFFAOYSA-N -1 0 328.343 3.720 20 0 EHADRM O=C([O-])c1cnc(NC(=O)C[C@H](c2ccccc2)C(F)(F)F)s1 ZINC000739215765 599899067 /nfs/dbraw/zinc/89/90/67/599899067.db2.gz FTTGGZZSFGQEHP-SECBINFHSA-N -1 0 344.314 3.516 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000237188354 599900371 /nfs/dbraw/zinc/90/03/71/599900371.db2.gz IDBITZRPYCZZNE-JSGCOSHPSA-N -1 0 347.436 3.583 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1ccc(C)c(Cl)c1 ZINC000737878990 599900905 /nfs/dbraw/zinc/90/09/05/599900905.db2.gz NUYNZRHGUQLBSK-VMPITWQZSA-N -1 0 346.766 3.974 20 0 EHADRM O=C([O-])CCCCCNC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000238153158 599908747 /nfs/dbraw/zinc/90/87/47/599908747.db2.gz SAUOYKQWVDRIFG-MSOLQXFVSA-N -1 0 325.408 3.705 20 0 EHADRM Cc1cc(NC(=O)CCCOc2ccc(F)cc2F)ccc1C(=O)[O-] ZINC000237698871 599915339 /nfs/dbraw/zinc/91/53/39/599915339.db2.gz IIMCRHGQDLXBPV-UHFFFAOYSA-N -1 0 349.333 3.769 20 0 EHADRM Cc1ccccc1OCCCC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000237551934 599916349 /nfs/dbraw/zinc/91/63/49/599916349.db2.gz ITXFVLVVPPHLFP-UHFFFAOYSA-N -1 0 327.380 3.799 20 0 EHADRM Cc1cc(NC(=O)c2cc3ccc(F)cc3nc2C)ccc1C(=O)[O-] ZINC000237833046 599916400 /nfs/dbraw/zinc/91/64/00/599916400.db2.gz FVMWWAWLTKUXNK-UHFFFAOYSA-N -1 0 338.338 3.941 20 0 EHADRM Cc1cc(NC(=O)c2cnc(Cl)c(Cl)c2)ccc1C(=O)[O-] ZINC000044749990 599916409 /nfs/dbraw/zinc/91/64/09/599916409.db2.gz RPXNQLUTWFUBSD-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)/C=C\c2cccc(F)c2)c1 ZINC000739871519 599922830 /nfs/dbraw/zinc/92/28/30/599922830.db2.gz DTDUOQFKFHDZEA-FPLPWBNLSA-N -1 0 345.395 3.795 20 0 EHADRM C[C@@H](CN(C(=O)CCc1ccc(Cl)cc1Cl)C1CC1)C(=O)[O-] ZINC000237434063 599924636 /nfs/dbraw/zinc/92/46/36/599924636.db2.gz YKOFDTKCFGRMJR-JTQLQIEISA-N -1 0 344.238 3.638 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)Cc1coc(-c2cccs2)n1 ZINC000120241439 599926894 /nfs/dbraw/zinc/92/68/94/599926894.db2.gz KFFOLGKWRGDPNL-UHFFFAOYSA-N -1 0 342.376 3.591 20 0 EHADRM C[C@H](CC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)c1ccccc1F ZINC000237569272 599927914 /nfs/dbraw/zinc/92/79/14/599927914.db2.gz GASXIBFZQMSZLE-SNVBAGLBSA-N -1 0 341.342 3.533 20 0 EHADRM CCC[C@](C)(NC(=O)[C@H](CC)Oc1ccccc1C(C)C)C(=O)[O-] ZINC000736955067 599928441 /nfs/dbraw/zinc/92/84/41/599928441.db2.gz YMKFCRYFLNWXTI-KXBFYZLASA-N -1 0 335.444 3.727 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000736929716 599928666 /nfs/dbraw/zinc/92/86/66/599928666.db2.gz SYOVMXBWUPNEIO-WMLDXEAASA-N -1 0 347.455 3.679 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000736930339 599928872 /nfs/dbraw/zinc/92/88/72/599928872.db2.gz ZXYAXFIMJLZLGB-NVXWUHKLSA-N -1 0 347.455 3.823 20 0 EHADRM CC(C)Cn1cc(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)c2ccccc21 ZINC000347396239 599929899 /nfs/dbraw/zinc/92/98/99/599929899.db2.gz IZJQYJVZTUTLET-CQSZACIVSA-N -1 0 342.439 3.623 20 0 EHADRM Cc1[nH]c2ccc(CNC(=O)c3cccc(NC(=O)[O-])c3)cc2c1C ZINC000738246844 599933315 /nfs/dbraw/zinc/93/33/15/599933315.db2.gz NTTLNWVVGDFDLM-UHFFFAOYSA-N -1 0 337.379 3.805 20 0 EHADRM COc1ccc(Cl)cc1C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000391828978 599937587 /nfs/dbraw/zinc/93/75/87/599937587.db2.gz FHJRDAIROWRSMC-OAHLLOKOSA-N -1 0 347.798 3.685 20 0 EHADRM Cc1ccc(C(C)C)cc1OCC(=O)Nc1cccc(C(=O)[O-])c1O ZINC000738550800 599949208 /nfs/dbraw/zinc/94/92/08/599949208.db2.gz IQXLAVKCDRPMAU-UHFFFAOYSA-N -1 0 343.379 3.540 20 0 EHADRM O=C([O-])c1cccc(NC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)c1O ZINC000740228484 599950823 /nfs/dbraw/zinc/95/08/23/599950823.db2.gz LVEDJRDVNGJBTJ-SJORKVTESA-N -1 0 347.370 3.986 20 0 EHADRM O=C([O-])c1sc(N2CCC[C@@H](Cc3ccccc3)C2)nc1Cl ZINC000740278490 599955145 /nfs/dbraw/zinc/95/51/45/599955145.db2.gz GVLIKZDDMCMXFG-LBPRGKRZSA-N -1 0 336.844 3.954 20 0 EHADRM O=C([O-])CSCCC(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000739849621 599962360 /nfs/dbraw/zinc/96/23/60/599962360.db2.gz NYVFZPLDKMPDBU-UHFFFAOYSA-N -1 0 339.482 3.868 20 0 EHADRM Cc1oc(COC(=O)c2ccccc2OCC(C)C)cc1C(=O)[O-] ZINC000738982478 599970408 /nfs/dbraw/zinc/97/04/08/599970408.db2.gz PBMZBYLSKFUNSL-UHFFFAOYSA-N -1 0 332.352 3.678 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)[C@@H](C)c1ccccc1F ZINC000737874551 599970968 /nfs/dbraw/zinc/97/09/68/599970968.db2.gz WHGVONDIGSIALM-CUZBXDDWSA-N -1 0 344.338 3.641 20 0 EHADRM CC(C)COc1ccccc1C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000736449051 599979265 /nfs/dbraw/zinc/97/92/65/599979265.db2.gz XGFQQTKEFAAVKC-LBPRGKRZSA-N -1 0 332.352 3.931 20 0 EHADRM Cc1ccccc1-c1cc(NC(=O)c2cccc(NC(=O)[O-])c2)n[nH]1 ZINC000738749132 599990246 /nfs/dbraw/zinc/99/02/46/599990246.db2.gz DHKBOAAUYOMHPQ-UHFFFAOYSA-N -1 0 336.351 3.727 20 0 EHADRM Cc1[nH]nc(NC(=O)c2cccc(NC(=O)[O-])c2)c1-c1ccccc1 ZINC000738823956 599990544 /nfs/dbraw/zinc/99/05/44/599990544.db2.gz RQMARHVGWFEIDY-UHFFFAOYSA-N -1 0 336.351 3.727 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2c[nH]c3cc(Cl)ccc23)cc1 ZINC000739823532 599997484 /nfs/dbraw/zinc/99/74/84/599997484.db2.gz IHVFEZYSZPNXAG-UHFFFAOYSA-N -1 0 344.754 3.537 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cc3ccccc3nc2C)c1 ZINC000737933960 599999008 /nfs/dbraw/zinc/99/90/08/599999008.db2.gz UTHWLLFIXDWNER-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)COc2cccc(C(C)C)c2)c1 ZINC000327363662 600000884 /nfs/dbraw/zinc/00/08/84/600000884.db2.gz JFIGOPOJHPPKHM-UHFFFAOYSA-N -1 0 343.379 3.534 20 0 EHADRM Cn1ccc2c1cccc2NC(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000738408368 600001037 /nfs/dbraw/zinc/00/10/37/600001037.db2.gz SWMAOKIOLNTYRQ-INIZCTEOSA-N -1 0 337.379 3.516 20 0 EHADRM O=C([O-])c1cccc(OCc2nnc(-c3cccc(Cl)c3)o2)c1 ZINC000740232049 600005147 /nfs/dbraw/zinc/00/51/47/600005147.db2.gz ORXWGVGJLHCTCZ-UHFFFAOYSA-N -1 0 330.727 3.667 20 0 EHADRM Cc1cccc(C[C@@H](CNC(=O)Nc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC000738709905 600009767 /nfs/dbraw/zinc/00/97/67/600009767.db2.gz YXYKPXWCSRXVRA-AWEZNQCLSA-N -1 0 346.814 3.713 20 0 EHADRM Cc1cc(NC(=O)NCc2c(F)cccc2Cl)ccc1C(=O)[O-] ZINC000738439322 600014821 /nfs/dbraw/zinc/01/48/21/600014821.db2.gz DEJJUGKEIDLVDK-UHFFFAOYSA-N -1 0 336.750 3.807 20 0 EHADRM Cc1cc(NC(=O)NCc2ccc([C@@H]3C[C@H]3C)o2)ccc1C(=O)[O-] ZINC000738440135 600014940 /nfs/dbraw/zinc/01/49/40/600014940.db2.gz INBLKGAXOCKPPL-IAQYHMDHSA-N -1 0 328.368 3.731 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)c2ccc(OCC3CCCCC3)cc2)C1 ZINC000238079032 600022264 /nfs/dbraw/zinc/02/22/64/600022264.db2.gz XTYZSMOVKFDAJO-KRWDZBQOSA-N -1 0 345.439 3.583 20 0 EHADRM Cc1ccc(OC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c(C(=O)[O-])c1 ZINC000738636594 600023277 /nfs/dbraw/zinc/02/32/77/600023277.db2.gz RUIBOKGWQUTPMR-NWDGAFQWSA-N -1 0 332.302 3.681 20 0 EHADRM O=C([O-])C1CCC(NC(=O)Nc2cccc(OC3CCCC3)c2)CC1 ZINC000263513126 600028577 /nfs/dbraw/zinc/02/85/77/600028577.db2.gz YOGBZRPCEXKQNX-UHFFFAOYSA-N -1 0 346.427 3.773 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)C2(c3cccc(F)c3)CCCC2)c1 ZINC000739888336 600029210 /nfs/dbraw/zinc/02/92/10/600029210.db2.gz DMKJKNKAALCIRE-UHFFFAOYSA-N -1 0 342.366 3.870 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000261798504 600031191 /nfs/dbraw/zinc/03/11/91/600031191.db2.gz UPRBFCNTIVHHCX-PNESKVBLSA-N -1 0 338.835 3.686 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)NC2CCC(C(=O)[O-])CC2)cc1C ZINC000414628407 600031579 /nfs/dbraw/zinc/03/15/79/600031579.db2.gz SBVNGLCJCFCEOP-VMWRSERWSA-N -1 0 344.455 3.793 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)CC2 ZINC000738664531 600032643 /nfs/dbraw/zinc/03/26/43/600032643.db2.gz FZPUDKWVJVIZIY-SFHVURJKSA-N -1 0 338.407 3.522 20 0 EHADRM Cc1cccc(NC(=S)N2Cc3ccc(C(=O)[O-])cc3C2)c1C ZINC000738736664 600034065 /nfs/dbraw/zinc/03/40/65/600034065.db2.gz PPQHGFIFISUXQM-UHFFFAOYSA-N -1 0 326.421 3.714 20 0 EHADRM CC(C)COc1ccc(CC(=O)Oc2ccc(C(=O)[O-])cc2)cc1 ZINC000736445776 600034653 /nfs/dbraw/zinc/03/46/53/600034653.db2.gz JNIWGPVPTHXENU-UHFFFAOYSA-N -1 0 328.364 3.568 20 0 EHADRM Cc1csc(CCCCNC(=O)Nc2cccc(NC(=O)[O-])c2)n1 ZINC000738816579 600040219 /nfs/dbraw/zinc/04/02/19/600040219.db2.gz TZQFNTQHAFQIRG-UHFFFAOYSA-N -1 0 348.428 3.686 20 0 EHADRM COc1ccccc1C/C(C)=C\C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000738124197 600040774 /nfs/dbraw/zinc/04/07/74/600040774.db2.gz ODRHTAXGPQHONH-QXMHVHEDSA-N -1 0 343.354 3.660 20 0 EHADRM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000325261195 600041001 /nfs/dbraw/zinc/04/10/01/600041001.db2.gz NWUFRLSFJAMVKB-IRXDYDNUSA-N -1 0 332.444 3.741 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)Cc1cccc3ccccc31)C2 ZINC000326918502 600041982 /nfs/dbraw/zinc/04/19/82/600041982.db2.gz PATVWPGUQKAUJT-UHFFFAOYSA-N -1 0 331.371 3.623 20 0 EHADRM O=C([O-])C1CCC(NC(=O)c2ccc(SC(F)(F)F)cc2)CC1 ZINC000261728176 600050024 /nfs/dbraw/zinc/05/00/24/600050024.db2.gz MMOQBOFJBJDLOT-UHFFFAOYSA-N -1 0 347.358 3.672 20 0 EHADRM CC(C)[C@@H](SCc1ccccc1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000262086302 600051624 /nfs/dbraw/zinc/05/16/24/600051624.db2.gz LCQYLCWAJZGUHS-OFLPRAFFSA-N -1 0 349.496 3.704 20 0 EHADRM CC(=O)Nc1cccc([C@@H](C)OC(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000736166737 600056608 /nfs/dbraw/zinc/05/66/08/600056608.db2.gz BMVQNCTVXPHULS-LLVKDONJSA-N -1 0 342.351 3.653 20 0 EHADRM CC[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1cccs1)c1ccccc1 ZINC000236933871 600060625 /nfs/dbraw/zinc/06/06/25/600060625.db2.gz HUBZYIWSGBSIAW-HIFRSBDPSA-N -1 0 331.437 3.964 20 0 EHADRM CC(C)(C(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccccc1Cl ZINC000542504633 600061192 /nfs/dbraw/zinc/06/11/92/600061192.db2.gz PTUJQUWJZSHSQA-UHFFFAOYSA-N -1 0 331.799 3.883 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ccccc1-c1nc2ccccc2s1 ZINC000739552735 600061816 /nfs/dbraw/zinc/06/18/16/600061816.db2.gz KDXSMJKUZFUQGA-VXGBXAGGSA-N -1 0 338.388 3.623 20 0 EHADRM CC[C@H](CC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F)c1ccccc1 ZINC000736891456 600063197 /nfs/dbraw/zinc/06/31/97/600063197.db2.gz BGBMFTHYZHVYSE-KZULUSFZSA-N -1 0 347.361 3.791 20 0 EHADRM CC(C)(C)SCC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000262412252 600067917 /nfs/dbraw/zinc/06/79/17/600067917.db2.gz OJKSBFGYJPDJDZ-UHFFFAOYSA-N -1 0 341.498 3.865 20 0 EHADRM CCC(CC)(C(=O)NC[C@@H](C)C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000736893882 600071495 /nfs/dbraw/zinc/07/14/95/600071495.db2.gz MTDRGPDXRSRZTO-SNVBAGLBSA-N -1 0 346.254 3.888 20 0 EHADRM O=C([O-])C1CCC(NC(=O)CCSc2ccccc2Cl)CC1 ZINC000261797531 600073747 /nfs/dbraw/zinc/07/37/47/600073747.db2.gz YLRWAPVWFXEMSG-UHFFFAOYSA-N -1 0 341.860 3.582 20 0 EHADRM CCSc1ccc([C@@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[O-])cc1 ZINC000737229046 600075630 /nfs/dbraw/zinc/07/56/30/600075630.db2.gz HVIKBPXAJFUKAL-IUODEOHRSA-N -1 0 338.473 3.658 20 0 EHADRM Cc1cc(Sc2ccccc2)ccc1NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000738482973 600077081 /nfs/dbraw/zinc/07/70/81/600077081.db2.gz SXZXWBJFPHSKRS-CABCVRRESA-N -1 0 327.405 3.805 20 0 EHADRM CC(=O)c1ccccc1OCCOc1ccc(Cl)cc1C(=O)[O-] ZINC000390400349 600080747 /nfs/dbraw/zinc/08/07/47/600080747.db2.gz JSHRUDWAAVVHEW-UHFFFAOYSA-N -1 0 334.755 3.699 20 0 EHADRM Cc1ccc(NC(=O)COc2ccc(Cl)cc2C(=O)[O-])c(F)c1 ZINC000738626976 600080753 /nfs/dbraw/zinc/08/07/53/600080753.db2.gz XOJATRWPPHPMHE-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM CC(C)(C)c1ncc(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)s1 ZINC000736303913 600086118 /nfs/dbraw/zinc/08/61/18/600086118.db2.gz RYDDWCRBULBNEH-UHFFFAOYSA-N -1 0 337.376 3.922 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(Cc1ccc(Br)cc1)C2 ZINC000156901705 600088789 /nfs/dbraw/zinc/08/87/89/600088789.db2.gz NWHCJQFSENDCAC-UHFFFAOYSA-N -1 0 332.197 3.663 20 0 EHADRM O=C([O-])c1cn(Cc2nc(C3CCCCC3)no2)c2ccccc12 ZINC000740255018 600108151 /nfs/dbraw/zinc/10/81/51/600108151.db2.gz SBZFTFFZMMIZQA-UHFFFAOYSA-N -1 0 325.368 3.819 20 0 EHADRM Cc1cccc(C)c1OCCC(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000738689698 600113669 /nfs/dbraw/zinc/11/36/69/600113669.db2.gz POXMWZQIDLILRK-UHFFFAOYSA-N -1 0 346.354 3.653 20 0 EHADRM Cc1ccccc1C1(C(=O)OCc2ccc(F)cc2C(=O)[O-])CC1 ZINC000738759794 600116580 /nfs/dbraw/zinc/11/65/80/600116580.db2.gz APIMATCJQWJGRN-UHFFFAOYSA-N -1 0 328.339 3.607 20 0 EHADRM Cc1cc2cc(NC(=O)N(C)Cc3ccc(C(=O)[O-])cc3)ccc2[nH]1 ZINC000738479510 600122118 /nfs/dbraw/zinc/12/21/18/600122118.db2.gz SBMXBAQTINILLG-UHFFFAOYSA-N -1 0 337.379 3.838 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)Oc2ccc(C(=O)[O-])cc2C(C)=O)C1(C)C ZINC000736186450 600123849 /nfs/dbraw/zinc/12/38/49/600123849.db2.gz JTIRFDCMVCLQMV-GDBMZVCRSA-N -1 0 330.380 3.731 20 0 EHADRM Cc1[nH]c(C(=O)N2CCC[C@H](c3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC000738159602 600123940 /nfs/dbraw/zinc/12/39/40/600123940.db2.gz MQXMINZHOQMCSY-INIZCTEOSA-N -1 0 340.423 3.740 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)C=Cc1ccccc1Cl ZINC000736186008 600125516 /nfs/dbraw/zinc/12/55/16/600125516.db2.gz HVAPTLMCSOJKBQ-VQHVLOKHSA-N -1 0 344.750 3.860 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)c1cccc(-n2cccc2)c1 ZINC000736191222 600125958 /nfs/dbraw/zinc/12/59/58/600125958.db2.gz WRCNRZVLMNBNJA-UHFFFAOYSA-N -1 0 349.342 3.597 20 0 EHADRM Cc1nc2sc3c(c2c(N2CCC[C@@H](C(=O)[O-])C2)n1)CCCCC3 ZINC000347621160 600126037 /nfs/dbraw/zinc/12/60/37/600126037.db2.gz NLEHVPOAFGCQJY-GFCCVEGCSA-N -1 0 345.468 3.570 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(-c2ccccc2)[nH]1)c1cccs1 ZINC000675950785 600126240 /nfs/dbraw/zinc/12/62/40/600126240.db2.gz KMXCBDREOVSFPU-HNNXBMFYSA-N -1 0 340.404 3.689 20 0 EHADRM CC[C@](NC(=O)c1cc(Cl)ccc1F)(C(=O)[O-])c1ccccc1 ZINC000485384482 600133025 /nfs/dbraw/zinc/13/30/25/600133025.db2.gz WPPFQXWLTACLSZ-QGZVFWFLSA-N -1 0 335.762 3.599 20 0 EHADRM Cc1ccc(OCCCC(=O)Oc2ccc(C)cc2C(=O)[O-])cc1 ZINC000738643466 600134989 /nfs/dbraw/zinc/13/49/89/600134989.db2.gz PMNUNOYOBSXJDT-UHFFFAOYSA-N -1 0 328.364 3.766 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)Oc1cccc(C(=O)[O-])c1 ZINC000738126440 600142804 /nfs/dbraw/zinc/14/28/04/600142804.db2.gz TXLZSUZZSUCIBL-ZDUSSCGKSA-N -1 0 328.364 3.568 20 0 EHADRM Cc1ccc2nc(-c3ccccc3)cc(C(=O)NC(C)(C)C(=O)[O-])c2c1 ZINC000738675515 600143894 /nfs/dbraw/zinc/14/38/94/600143894.db2.gz QAJUMGUYWFSURE-UHFFFAOYSA-N -1 0 348.402 3.803 20 0 EHADRM Cc1cc(C)c(C)c(OCCC(=O)Nc2ccc(C(=O)[O-])s2)c1 ZINC000738355469 600143933 /nfs/dbraw/zinc/14/39/33/600143933.db2.gz JEAOSQBFAJAFLY-UHFFFAOYSA-N -1 0 333.409 3.779 20 0 EHADRM O=C([O-])CCCCCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000238148095 600150068 /nfs/dbraw/zinc/15/00/68/600150068.db2.gz ALMFGBBYDICHJL-QWHCGFSZSA-N -1 0 344.238 3.858 20 0 EHADRM Cc1ccc2oc(C(=O)Nc3ccc(Cl)c(C(=O)[O-])c3)cc2n1 ZINC000738309551 600153943 /nfs/dbraw/zinc/15/39/43/600153943.db2.gz VDEPWZMGZLVQEU-UHFFFAOYSA-N -1 0 330.727 3.740 20 0 EHADRM CCC[C@@H](C(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1)c1ccccc1 ZINC000486369870 600162677 /nfs/dbraw/zinc/16/26/77/600162677.db2.gz HMUJUXSTEJIFQH-MOPGFXCFSA-N -1 0 339.435 3.863 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)c2cc3sccc3s2)C(=O)[O-])cc1 ZINC000738566181 600163963 /nfs/dbraw/zinc/16/39/63/600163963.db2.gz ACGQWGPBGRYZBJ-GFCCVEGCSA-N -1 0 345.445 3.869 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)Nc1cccc(NC(=O)[O-])c1)C(C)C ZINC000738787173 600182616 /nfs/dbraw/zinc/18/26/16/600182616.db2.gz UAGHURFVTQBCAL-HNNXBMFYSA-N -1 0 342.399 3.999 20 0 EHADRM O=C([O-])CCc1nc(CSc2c(Cl)cccc2Cl)no1 ZINC000739772449 600183975 /nfs/dbraw/zinc/18/39/75/600183975.db2.gz OIVQKGOUHHWIDN-UHFFFAOYSA-N -1 0 333.196 3.686 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)C(C)(C)C ZINC000736598544 600184795 /nfs/dbraw/zinc/18/47/95/600184795.db2.gz LUPDTNGXSUGDRZ-SECBINFHSA-N -1 0 344.358 3.790 20 0 EHADRM CCCC[C@@H](CC)CNC(=S)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000736980758 600189012 /nfs/dbraw/zinc/18/90/12/600189012.db2.gz BZAZBYMNPSWQAW-HIFRSBDPSA-N -1 0 334.485 3.766 20 0 EHADRM CCCc1c(C(=O)OCc2ncc(C(C)(C)C)o2)[nH]c(C)c1C(=O)[O-] ZINC000737044592 600189903 /nfs/dbraw/zinc/18/99/03/600189903.db2.gz XEEGJGQSLZLJOH-UHFFFAOYSA-N -1 0 348.399 3.616 20 0 EHADRM CN(C(=O)c1ccc(-n2cccc2)c(F)c1)c1ccccc1C(=O)[O-] ZINC000737336070 600191607 /nfs/dbraw/zinc/19/16/07/600191607.db2.gz JESWUXGUNVDSAW-UHFFFAOYSA-N -1 0 338.338 3.591 20 0 EHADRM C/C(=C\C(=O)N1CCc2cc(C(=O)[O-])ccc21)c1cccc(F)c1 ZINC000736122201 600192072 /nfs/dbraw/zinc/19/20/72/600192072.db2.gz XKDHMBWOHZXLOH-FMIVXFBMSA-N -1 0 325.339 3.517 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)ccc2Cl)C1 ZINC000128504773 600197244 /nfs/dbraw/zinc/19/72/44/600197244.db2.gz HONJQAVFXVXMBL-OAHLLOKOSA-N -1 0 343.810 3.944 20 0 EHADRM O=C([O-])c1ccc(NC(=O)COc2cccc3ccccc32)c(F)c1 ZINC000479615725 600200086 /nfs/dbraw/zinc/20/00/86/600200086.db2.gz SRGITAMMSVSQHP-UHFFFAOYSA-N -1 0 339.322 3.695 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)c(F)c1 ZINC000740146945 600200817 /nfs/dbraw/zinc/20/08/17/600200817.db2.gz ZXXYARWOOPGXGB-CHWSQXEVSA-N -1 0 333.746 3.920 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)c1 ZINC000238152780 600206198 /nfs/dbraw/zinc/20/61/98/600206198.db2.gz DQKVVGSXWVPOJW-UWVGGRQHSA-N -1 0 335.281 3.544 20 0 EHADRM CN(Cc1coc(-c2ccc(F)cc2)n1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737496701 600212956 /nfs/dbraw/zinc/21/29/56/600212956.db2.gz GNDPJAQUMAFSCX-KRWDZBQOSA-N -1 0 340.354 3.738 20 0 EHADRM O=C([O-])c1ccc(CN2CCSC[C@@H]2c2ccc(Cl)cc2)o1 ZINC000740125906 600218828 /nfs/dbraw/zinc/21/88/28/600218828.db2.gz VIXSBDIWCRHZDS-CQSZACIVSA-N -1 0 337.828 3.921 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)Cc2csc3ccccc23)c2ccccc21 ZINC000439701032 600220303 /nfs/dbraw/zinc/22/03/03/600220303.db2.gz URGWYDQIZONPEM-OAHLLOKOSA-N -1 0 337.400 3.659 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000390423309 600224884 /nfs/dbraw/zinc/22/48/84/600224884.db2.gz QYBAFUHQUMJZCJ-UHFFFAOYSA-N -1 0 338.722 3.587 20 0 EHADRM CC(=O)Nc1ccc(NC(=O)Nc2cccc(C(=O)[O-])c2C)cc1C ZINC000736159837 600228605 /nfs/dbraw/zinc/22/86/05/600228605.db2.gz MZMRJZBDCYMTBX-UHFFFAOYSA-N -1 0 341.367 3.604 20 0 EHADRM CCOc1ccc(NC(=O)Nc2cccc(NC(=O)[O-])c2)cc1F ZINC000737202869 600230456 /nfs/dbraw/zinc/23/04/56/600230456.db2.gz HZBOGOYJLJEPEA-UHFFFAOYSA-N -1 0 333.319 3.958 20 0 EHADRM COCc1cccc(NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000737834722 600232208 /nfs/dbraw/zinc/23/22/08/600232208.db2.gz GTIBPSMBIRDWCP-UHFFFAOYSA-N -1 0 333.319 3.706 20 0 EHADRM O=C([O-])c1ccc(C(=O)OCc2cc(Br)cs2)s1 ZINC000740120039 600243243 /nfs/dbraw/zinc/24/32/43/600243243.db2.gz BRLWBDVLQLYPHN-UHFFFAOYSA-N -1 0 347.211 3.627 20 0 EHADRM O=C([O-])c1ccc(OC(=O)c2cccc(Oc3nccs3)c2)cc1 ZINC000738690624 600247379 /nfs/dbraw/zinc/24/73/79/600247379.db2.gz MNSAHYGYDJQOAG-UHFFFAOYSA-N -1 0 341.344 3.853 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)Oc1c(OC)cccc1C(=O)[O-] ZINC000738122253 600247961 /nfs/dbraw/zinc/24/79/61/600247961.db2.gz XUJHLKAYZPVIOH-LBPRGKRZSA-N -1 0 344.363 3.501 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)/C=C(\C)c1ccc(F)cc1 ZINC000738086517 600248748 /nfs/dbraw/zinc/24/87/48/600248748.db2.gz YSOICRVRIFCYKZ-ZHACJKMWSA-N -1 0 330.311 3.541 20 0 EHADRM CCCc1ccc(C(=O)CCC(=O)Nc2cc(C)[nH]c2C(=O)[O-])cc1 ZINC000737045192 600253319 /nfs/dbraw/zinc/25/33/19/600253319.db2.gz PCYMLVYGAUQOCN-UHFFFAOYSA-N -1 0 342.395 3.575 20 0 EHADRM Cc1ccc2[nH]c(C(=O)Nc3ccc(F)c(C(=O)[O-])c3)cc2c1C ZINC000738667242 600254928 /nfs/dbraw/zinc/25/49/28/600254928.db2.gz GXWXZVUUUOKDNJ-UHFFFAOYSA-N -1 0 326.327 3.874 20 0 EHADRM Cc1cc(NC(=O)[C@H](C)Oc2cc(C(C)C)ccc2C)c(C(=O)[O-])[nH]1 ZINC000738419196 600256398 /nfs/dbraw/zinc/25/63/98/600256398.db2.gz WTZLJDAUCCUYLW-ZDUSSCGKSA-N -1 0 344.411 3.859 20 0 EHADRM CC(C)(C)/C=C\C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000736253640 600257847 /nfs/dbraw/zinc/25/78/47/600257847.db2.gz ZEYODSFYNZWCFR-RXQFDZFGSA-N -1 0 339.435 3.802 20 0 EHADRM CCO[C@@H](C)c1nc(CN[C@@](CC)(C(=O)[O-])c2ccccc2)cs1 ZINC000737156729 600261575 /nfs/dbraw/zinc/26/15/75/600261575.db2.gz FXBKPHKETPZUCQ-SCLBCKFNSA-N -1 0 348.468 3.720 20 0 EHADRM Cc1nc(C(C)(C)NC(=O)Nc2cc(C(=O)[O-])ccc2C)sc1C ZINC000738531622 600267186 /nfs/dbraw/zinc/26/71/86/600267186.db2.gz AXTVSJJPNAJBBO-UHFFFAOYSA-N -1 0 347.440 3.823 20 0 EHADRM CC(C)(C)c1ccc(CCC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000262421609 600273817 /nfs/dbraw/zinc/27/38/17/600273817.db2.gz KZHNKAMZBDHETO-KRWDZBQOSA-N -1 0 343.467 3.630 20 0 EHADRM Cc1cccc(C(C)(C)NC(=O)Nc2cc(C(=O)[O-])ccc2F)c1 ZINC000738693588 600275653 /nfs/dbraw/zinc/27/56/53/600275653.db2.gz RVYKAHRQYWNUEH-UHFFFAOYSA-N -1 0 330.359 3.889 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)NC(C)(C)c2cccc(F)c2)cc1 ZINC000737332985 600276456 /nfs/dbraw/zinc/27/64/56/600276456.db2.gz SKSWMEUQZGDBIG-UHFFFAOYSA-N -1 0 345.374 3.997 20 0 EHADRM Cc1nc(C(C)(C)NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)sc1C ZINC000738437079 600278731 /nfs/dbraw/zinc/27/87/31/600278731.db2.gz IURUDBKWTPRTJF-UHFFFAOYSA-N -1 0 347.440 3.823 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)N[C@H]2CC=CCC2)c1 ZINC000739754084 600279296 /nfs/dbraw/zinc/27/92/96/600279296.db2.gz KRGAQDKTSSWBGQ-AWEZNQCLSA-N -1 0 334.441 3.625 20 0 EHADRM C[C@@H](NC(=S)Nc1ccc(CNC(=O)[O-])cc1)c1cccs1 ZINC000736660842 600280208 /nfs/dbraw/zinc/28/02/08/600280208.db2.gz OYOGTOXCGGFMCV-SNVBAGLBSA-N -1 0 335.454 3.563 20 0 EHADRM CCCC[C@@H](CC)CC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000736982404 600281278 /nfs/dbraw/zinc/28/12/78/600281278.db2.gz NTXZPWVNARONQJ-BZNIZROVSA-N -1 0 327.371 3.813 20 0 EHADRM Cn1cccc1[C@@H]1CCCN1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000739041777 600281313 /nfs/dbraw/zinc/28/13/13/600281313.db2.gz ANNIUQWRXPWVMY-HNNXBMFYSA-N -1 0 347.802 3.746 20 0 EHADRM CCSc1ccc(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cn1 ZINC000737228723 600283631 /nfs/dbraw/zinc/28/36/31/600283631.db2.gz FPXKPZRSJNSEKS-UHFFFAOYSA-N -1 0 345.424 3.556 20 0 EHADRM CN(Cc1ccc(NC(=O)C(C)(C)c2ccccc2F)cc1)C(=O)[O-] ZINC000737478697 600288454 /nfs/dbraw/zinc/28/84/54/600288454.db2.gz QKGVJCLKSIMMNR-UHFFFAOYSA-N -1 0 344.386 3.852 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)C2(c3ccc(F)cc3)CCC2)cc1 ZINC000739987230 600293123 /nfs/dbraw/zinc/29/31/23/600293123.db2.gz XAJHSZKXKBLEAL-UHFFFAOYSA-N -1 0 342.370 3.654 20 0 EHADRM O=C([O-])CCCCCCNC(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000738565210 600293904 /nfs/dbraw/zinc/29/39/04/600293904.db2.gz ICVKZFKKKAFHHJ-OAHLLOKOSA-N -1 0 336.432 3.941 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)CCOc2cccc(Cl)c2)cc1 ZINC000739986692 600297489 /nfs/dbraw/zinc/29/74/89/600297489.db2.gz QWQHTNXGICUEGG-UHFFFAOYSA-N -1 0 348.786 3.515 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccc2ncsc2c1)c1cccc(Cl)c1 ZINC000740298320 600319918 /nfs/dbraw/zinc/31/99/18/600319918.db2.gz KIPMFAXVEBGIFW-AWEZNQCLSA-N -1 0 347.779 3.932 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccnc2ccccc21)c1cccc(Cl)c1 ZINC000740300994 600322996 /nfs/dbraw/zinc/32/29/96/600322996.db2.gz YWDBQCRDNPSUEH-INIZCTEOSA-N -1 0 341.750 3.871 20 0 EHADRM Cc1ccc(O[C@@H](C)C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000738639372 600324826 /nfs/dbraw/zinc/32/48/26/600324826.db2.gz QUOMRJHFOKSOBN-LRDDRELGSA-N -1 0 348.782 3.785 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000405350373 600332682 /nfs/dbraw/zinc/33/26/82/600332682.db2.gz BMGHHQJTFTUPIF-HNNXBMFYSA-N -1 0 330.428 3.703 20 0 EHADRM Cc1cc2cc(NC(=O)Nc3ccc(CNC(=O)[O-])cc3)ccc2[nH]1 ZINC000738479496 600339449 /nfs/dbraw/zinc/33/94/49/600339449.db2.gz RPRQDCBVZADGAW-UHFFFAOYSA-N -1 0 338.367 3.888 20 0 EHADRM CS[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000738181563 600339681 /nfs/dbraw/zinc/33/96/81/600339681.db2.gz LPVQJEOCIZREOM-MWLCHTKSSA-N -1 0 341.408 3.711 20 0 EHADRM C[C@H]1CCCC[C@H]1CNC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736781544 600342937 /nfs/dbraw/zinc/34/29/37/600342937.db2.gz PUVLUWDSLUNNPW-ZFWWWQNUSA-N -1 0 333.432 3.744 20 0 EHADRM CN(Cc1cccs1)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000737481355 600345406 /nfs/dbraw/zinc/34/54/06/600345406.db2.gz FDPDVKZTXSWGHN-UHFFFAOYSA-N -1 0 333.413 3.522 20 0 EHADRM CC(C)(C)[C@H](NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccccc1 ZINC000736242929 600345567 /nfs/dbraw/zinc/34/55/67/600345567.db2.gz OHKQKHHMDWUTIN-JKSUJKDBSA-N -1 0 344.455 3.670 20 0 EHADRM CCN(Cc1ccc(C)cc1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737105789 600354386 /nfs/dbraw/zinc/35/43/86/600354386.db2.gz FAORWQSWJMGINV-UHFFFAOYSA-N -1 0 341.411 3.817 20 0 EHADRM C[C@H](SCC(=O)N(C)c1ccccc1C(=O)[O-])c1cccs1 ZINC000736709066 600362650 /nfs/dbraw/zinc/36/26/50/600362650.db2.gz NFBUQJCATHXVBJ-NSHDSACASA-N -1 0 335.450 3.904 20 0 EHADRM Cc1cccc(C)c1OCCCOc1ccc(C(=O)[O-])cc1C=O ZINC000738690536 600362986 /nfs/dbraw/zinc/36/29/86/600362986.db2.gz TZDNDLMHFGJPDK-UHFFFAOYSA-N -1 0 328.364 3.662 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC000736618718 600371054 /nfs/dbraw/zinc/37/10/54/600371054.db2.gz SSGKDXRGHUNKEV-CZUORRHYSA-N -1 0 330.405 3.784 20 0 EHADRM CC(C)Oc1nnc(S[C@H](C(=O)[O-])c2cccc(Cl)c2)s1 ZINC000736492574 600378624 /nfs/dbraw/zinc/37/86/24/600378624.db2.gz HDOVCXKKOIIKGS-JTQLQIEISA-N -1 0 344.845 3.897 20 0 EHADRM O=C([O-])c1cc(NC(=O)NC[C@@H]2CCc3ccccc32)ccc1Cl ZINC000739413978 600380739 /nfs/dbraw/zinc/38/07/39/600380739.db2.gz GISKQIHVTSLPSS-LBPRGKRZSA-N -1 0 344.798 3.890 20 0 EHADRM Cc1cc(O[C@@H](C)C(=O)NC(C)(C)CCC(=O)[O-])ccc1C(C)C ZINC000236749761 600381283 /nfs/dbraw/zinc/38/12/83/600381283.db2.gz UPMOYRSUFHYPOZ-AWEZNQCLSA-N -1 0 335.444 3.645 20 0 EHADRM Cc1c(NC(=O)C[C@H]2CCOc3ccccc32)cccc1C(=O)[O-] ZINC000675966117 600382031 /nfs/dbraw/zinc/38/20/31/600382031.db2.gz ISSRJKYOMSCIOY-CYBMUJFWSA-N -1 0 325.364 3.588 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)/C=C/C1CCCCC1)C(=O)[O-] ZINC000736585045 600382417 /nfs/dbraw/zinc/38/24/17/600382417.db2.gz RJNWZSDPLMLYEN-DBTPVHCXSA-N -1 0 329.440 3.872 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1cc2cc(F)ccc2o1 ZINC000237772107 600382547 /nfs/dbraw/zinc/38/25/47/600382547.db2.gz VFUJCPQRKUPFIT-UHFFFAOYSA-N -1 0 343.310 3.596 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)NCCc2ccc(NC(=O)[O-])cc2)C1(C)C ZINC000736344243 600383130 /nfs/dbraw/zinc/38/31/30/600383130.db2.gz XBGQCLGXEOXTBB-HZPDHXFCSA-N -1 0 330.428 3.674 20 0 EHADRM Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000738670950 600383252 /nfs/dbraw/zinc/38/32/52/600383252.db2.gz ORBVHQIJVXENEP-MRXNPFEDSA-N -1 0 328.343 3.641 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)C[C@@H]2CCOc3ccccc32)ccc1F ZINC000740007256 600383610 /nfs/dbraw/zinc/38/36/10/600383610.db2.gz VIWWTMLRMXSUDC-NSHDSACASA-N -1 0 344.342 3.811 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@H](c2ccccc2)C2CC2)ccc1F ZINC000739474610 600384611 /nfs/dbraw/zinc/38/46/11/600384611.db2.gz ZDJIHMAUKKSNFZ-MRXNPFEDSA-N -1 0 328.343 3.797 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)ccc1F ZINC000739470716 600387072 /nfs/dbraw/zinc/38/70/72/600387072.db2.gz FERDUMJYGLMZEE-DTWKUNHWSA-N -1 0 348.296 3.767 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@H](C)Cc1ccc(F)cc1)c1ccccc1 ZINC000736848040 600388019 /nfs/dbraw/zinc/38/80/19/600388019.db2.gz LOWKNKQARCRWJC-KDOFPFPSSA-N -1 0 343.398 3.901 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2ccc(OC3CCCCC3)cc2)o1 ZINC000557977988 600388817 /nfs/dbraw/zinc/38/88/17/600388817.db2.gz KIEZPDYIRQNNDA-UHFFFAOYSA-N -1 0 343.379 3.619 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1cc2ccccc2n1C)c1ccccc1 ZINC000736851373 600389431 /nfs/dbraw/zinc/38/94/31/600389431.db2.gz IAJCSCZCKCQLNG-INIZCTEOSA-N -1 0 336.391 3.688 20 0 EHADRM CCN(Cc1ccc(C)cc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000737105778 600391280 /nfs/dbraw/zinc/39/12/80/600391280.db2.gz CZLMSNUIBOEJFW-UHFFFAOYSA-N -1 0 330.359 3.886 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)/C=C/c2ccco2)cc1 ZINC000236611731 600391284 /nfs/dbraw/zinc/39/12/84/600391284.db2.gz CVNUHSZRGHFZRG-DVQDXYAYSA-N -1 0 341.407 3.923 20 0 EHADRM CCOc1cccc([C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC000737210917 600398261 /nfs/dbraw/zinc/39/82/61/600398261.db2.gz PGRSUMIRSIKKCR-LLVKDONJSA-N -1 0 346.358 3.805 20 0 EHADRM Cc1cccc2c1CC[C@@H]2NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000738748633 600402431 /nfs/dbraw/zinc/40/24/31/600402431.db2.gz WVSUXOJREAONBI-HNNXBMFYSA-N -1 0 328.343 3.641 20 0 EHADRM CCc1nc([C@H](C)NC(=O)Nc2ccc(CCC(=O)[O-])cc2)cs1 ZINC000737277194 600403544 /nfs/dbraw/zinc/40/35/44/600403544.db2.gz RHDAXNUDGJJWAR-NSHDSACASA-N -1 0 347.440 3.605 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CNC(=O)Nc2ccc(C(=O)[O-])cc2F)o1 ZINC000736767244 600403574 /nfs/dbraw/zinc/40/35/74/600403574.db2.gz YPQQFIPMRNWBJL-BXKDBHETSA-N -1 0 332.331 3.562 20 0 EHADRM C[C@@H](CC1CCCC1)C(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000736564174 600406431 /nfs/dbraw/zinc/40/64/31/600406431.db2.gz ZHKBANAODIQAFR-ZDUSSCGKSA-N -1 0 337.847 3.970 20 0 EHADRM CC(C)CC[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736427903 600406745 /nfs/dbraw/zinc/40/67/45/600406745.db2.gz GVPDVDGGIIHVJR-JTQLQIEISA-N -1 0 344.358 3.932 20 0 EHADRM CC(C)(C)/C=C/C(=O)Oc1ccc(Br)cc1C(=O)[O-] ZINC000736249998 600407045 /nfs/dbraw/zinc/40/70/45/600407045.db2.gz FEEHOSLMDHAVNP-VOTSOKGWSA-N -1 0 327.174 3.655 20 0 EHADRM Cc1ccc(-c2ncc(C(=O)NC(C)(C)CCC(=O)[O-])s2)c(C)c1 ZINC000675981665 600418363 /nfs/dbraw/zinc/41/83/63/600418363.db2.gz FKMUEPQOQMEZBY-UHFFFAOYSA-N -1 0 346.452 3.800 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)c2ccc(OCc3ccccc3)cc2)c1 ZINC000382372872 600432172 /nfs/dbraw/zinc/43/21/72/600432172.db2.gz PNSLTWLIRBSMRH-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM Cc1nc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)nc2ccccc12 ZINC000738857987 600433677 /nfs/dbraw/zinc/43/36/77/600433677.db2.gz XFYDUHNKUQXTKW-QGZVFWFLSA-N -1 0 341.798 3.507 20 0 EHADRM Cc1cc(C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)c(C)n1C(C)C ZINC000738347402 600443759 /nfs/dbraw/zinc/44/37/59/600443759.db2.gz KKHUGJZAEDSRQE-INIZCTEOSA-N -1 0 333.359 3.808 20 0 EHADRM Cc1ccc(C)c(SCC(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000738578713 600444389 /nfs/dbraw/zinc/44/43/89/600444389.db2.gz IGJKEXTVMJOKJT-QGZVFWFLSA-N -1 0 348.395 3.904 20 0 EHADRM CC(C)(C)c1ncc(C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)s1 ZINC000736303418 600452514 /nfs/dbraw/zinc/45/25/14/600452514.db2.gz JUNCCARFHJYJAK-GFCCVEGCSA-N -1 0 337.372 3.562 20 0 EHADRM CC(C)Oc1cccc(CC(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000736495381 600453726 /nfs/dbraw/zinc/45/37/26/600453726.db2.gz YMQOJHGSVZYVRJ-GOSISDBHSA-N -1 0 346.354 3.525 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)OCc2cc(C)c(C(=O)[O-])o2)s1 ZINC000738465110 600454702 /nfs/dbraw/zinc/45/47/02/600454702.db2.gz NKEVVUUMGQOFNJ-UHFFFAOYSA-N -1 0 346.307 3.615 20 0 EHADRM C/C(=C\C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1)c1cccc(F)c1 ZINC000736120344 600456313 /nfs/dbraw/zinc/45/63/13/600456313.db2.gz GVCFZNXAJCSFHQ-QXLXQBSBSA-N -1 0 332.302 3.737 20 0 EHADRM O=C([O-])[C@@H](OC(=O)C[C@@H]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000739223014 600456729 /nfs/dbraw/zinc/45/67/29/600456729.db2.gz MSNFIVUIAKUWOX-YJYMSZOUSA-N -1 0 342.366 3.690 20 0 EHADRM C[C@@H](OC(=O)/C=C\c1ccnc2ccccc12)c1ccc(C(=O)[O-])o1 ZINC000736685416 600457081 /nfs/dbraw/zinc/45/70/81/600457081.db2.gz PXLPKZSCFSCVOR-OJIASSBASA-N -1 0 337.331 3.844 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738756181 600457895 /nfs/dbraw/zinc/45/78/95/600457895.db2.gz IBWDOCDGGFDGMM-FZKQIMNGSA-N -1 0 330.355 3.997 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)N2CCC[C@@H]2C2CCCC2)cc1 ZINC000740016952 600461867 /nfs/dbraw/zinc/46/18/67/600461867.db2.gz CVVJSVUITKTQST-QGZVFWFLSA-N -1 0 345.443 3.683 20 0 EHADRM CC(C)[C@H](CC(=O)N(C)c1nc(CC(=O)[O-])cs1)c1ccccc1 ZINC000736351470 600467921 /nfs/dbraw/zinc/46/79/21/600467921.db2.gz GADQIARJGMHARL-HNNXBMFYSA-N -1 0 346.452 3.563 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@@H]1CSc2ccccc21)c1ccccc1 ZINC000736850333 600476147 /nfs/dbraw/zinc/47/61/47/600476147.db2.gz VRKGYEKKJJDSEN-HZPDHXFCSA-N -1 0 341.432 3.772 20 0 EHADRM CCc1ccccc1OCC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000237037942 600476938 /nfs/dbraw/zinc/47/69/38/600476938.db2.gz FWYNVGGSEFUOCJ-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM Cc1ncc(/C=C/C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)s1 ZINC000492141605 600478433 /nfs/dbraw/zinc/47/84/33/600478433.db2.gz SJUGAAOGIUMYAN-FNORWQNLSA-N -1 0 346.408 3.589 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)Nc1ccc(OC)cc1C(=O)[O-] ZINC000736904301 600478847 /nfs/dbraw/zinc/47/88/47/600478847.db2.gz RPPNMPYKMQMMNJ-CQSZACIVSA-N -1 0 327.380 3.601 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000136718548 600480211 /nfs/dbraw/zinc/48/02/11/600480211.db2.gz FXCQPZHKFXZDRT-SNVBAGLBSA-N -1 0 335.762 3.995 20 0 EHADRM CC[C@@H]1CCCN(C(=O)NCCc2ccc(NC(=O)[O-])cc2)CC1 ZINC000736939997 600498568 /nfs/dbraw/zinc/49/85/68/600498568.db2.gz PQSJHUFOBOGUMQ-CQSZACIVSA-N -1 0 333.432 3.541 20 0 EHADRM O=C([O-])c1ccc(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 ZINC000320874892 600503148 /nfs/dbraw/zinc/50/31/48/600503148.db2.gz KWGHUKNARHWCBD-UHFFFAOYSA-N -1 0 330.218 3.517 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)cc1Cl ZINC000739464622 600509117 /nfs/dbraw/zinc/50/91/17/600509117.db2.gz HHGKIQMCOPDNFV-HIFRSBDPSA-N -1 0 348.761 3.855 20 0 EHADRM COc1cccc(CN(C)C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000324560342 600513495 /nfs/dbraw/zinc/51/34/95/600513495.db2.gz YJVGOJCBXCPHLW-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM CN(CCOc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000737448893 600514066 /nfs/dbraw/zinc/51/40/66/600514066.db2.gz GFYNTIIHBIUFHX-UHFFFAOYSA-N -1 0 348.786 3.581 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)CCCCc1nc2ccccc2s1)C(=O)[O-] ZINC000675985592 600529550 /nfs/dbraw/zinc/52/95/50/600529550.db2.gz RHPPGLWYECIRRC-INIZCTEOSA-N -1 0 348.468 3.625 20 0 EHADRM CCCN(C)c1ccc(C(=O)N(CC)c2ccccc2C(=O)[O-])cc1 ZINC000737007401 600531643 /nfs/dbraw/zinc/53/16/43/600531643.db2.gz HBLASOLKQUZYCB-UHFFFAOYSA-N -1 0 340.423 3.898 20 0 EHADRM CC(C)(C)[C@H](NC(=O)CCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000035389256 600533797 /nfs/dbraw/zinc/53/37/97/600533797.db2.gz QRQLNPRXTUCLHG-CYBMUJFWSA-N -1 0 332.227 3.542 20 0 EHADRM C[C@@H]1CCC[C@@H](OCC(=O)Nc2ccc(Cl)cc2C(=O)[O-])C1 ZINC000736775418 600533889 /nfs/dbraw/zinc/53/38/89/600533889.db2.gz LZNQPBNARIAPNX-ZYHUDNBSSA-N -1 0 325.792 3.572 20 0 EHADRM COc1ccccc1CC(C)(C)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000261889674 600534789 /nfs/dbraw/zinc/53/47/89/600534789.db2.gz BTBKOBSUWIXDBP-UHFFFAOYSA-N -1 0 345.370 3.740 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)CN(C)C(=O)[O-])C1CCC(C)CC1 ZINC000738758344 600535767 /nfs/dbraw/zinc/53/57/67/600535767.db2.gz MMRHGDXUSTUKED-LEHRNKBSSA-N -1 0 332.444 3.588 20 0 EHADRM COc1ccccc1CC(C)(C)C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000738125032 600537066 /nfs/dbraw/zinc/53/70/66/600537066.db2.gz XKCJRMPIAYEHIK-UHFFFAOYSA-N -1 0 343.379 3.959 20 0 EHADRM CCCc1c(C(=O)N(C)c2ccc(SC)cc2)[nH]c(C)c1C(=O)[O-] ZINC000737041827 600538523 /nfs/dbraw/zinc/53/85/23/600538523.db2.gz PJWVRGHCHDWSSI-UHFFFAOYSA-N -1 0 346.452 3.972 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1)c1nc2ccccc2s1 ZINC000736647869 600540689 /nfs/dbraw/zinc/54/06/89/600540689.db2.gz BAELLZXRRJVPAR-SNVBAGLBSA-N -1 0 341.392 3.877 20 0 EHADRM CC(C)[C@@H](C)C(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC000736355681 600554958 /nfs/dbraw/zinc/55/49/58/600554958.db2.gz SLBLMXILKIPOLS-LLVKDONJSA-N -1 0 332.425 3.663 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)NCc2ccc3ccccc3n2)c1 ZINC000740042727 600557168 /nfs/dbraw/zinc/55/71/68/600557168.db2.gz KQOQWOXAIMXADK-UHFFFAOYSA-N -1 0 336.351 3.646 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1ccc(OCc2ccccc2)cc1 ZINC000236765936 600557846 /nfs/dbraw/zinc/55/78/46/600557846.db2.gz CWWKWZLUTVBYEM-UHFFFAOYSA-N -1 0 341.407 3.591 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1cccc(Oc2ccccc2)c1 ZINC000236769268 600560382 /nfs/dbraw/zinc/56/03/82/600560382.db2.gz SQOVQBRFKKKIIW-UHFFFAOYSA-N -1 0 327.380 3.804 20 0 EHADRM O=C([O-])c1sc(N2CCc3c(Cl)cccc3C2)nc1Cl ZINC000740279091 600560879 /nfs/dbraw/zinc/56/08/79/600560879.db2.gz NOAPINRHGBGGED-UHFFFAOYSA-N -1 0 329.208 3.711 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000236749355 600561982 /nfs/dbraw/zinc/56/19/82/600561982.db2.gz ZLYWSKXOEVYNCA-LLVKDONJSA-N -1 0 346.254 3.884 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)Cc2cnc3ccccc3c2)cc1 ZINC000737333051 600565824 /nfs/dbraw/zinc/56/58/24/600565824.db2.gz URUDYZLIJLVCDY-UHFFFAOYSA-N -1 0 335.363 3.530 20 0 EHADRM Cc1sc(NC(=O)Cc2c[nH]c3ccc(F)cc23)c(C(=O)[O-])c1C ZINC000738399224 600568183 /nfs/dbraw/zinc/56/81/83/600568183.db2.gz PKTYVGZKFLMIPA-UHFFFAOYSA-N -1 0 346.383 3.865 20 0 EHADRM Cc1cc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)c(C(=O)[O-])[nH]1 ZINC000738437483 600569005 /nfs/dbraw/zinc/56/90/05/600569005.db2.gz LUHVXHMAZSJDGJ-CQSZACIVSA-N -1 0 331.347 3.529 20 0 EHADRM Cc1cc(NC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)c(C(=O)[O-])[nH]1 ZINC000738437376 600569146 /nfs/dbraw/zinc/56/91/46/600569146.db2.gz GEGNGJCLXABJTB-SECBINFHSA-N -1 0 337.326 3.524 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000740045277 600573577 /nfs/dbraw/zinc/57/35/77/600573577.db2.gz HPHKDSYSBWOECB-CQSZACIVSA-N -1 0 346.770 3.684 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N[C@H]1CCCOc2ccc(F)cc21 ZINC000740047517 600573777 /nfs/dbraw/zinc/57/37/77/600573777.db2.gz UWNAUXMPBLRYOJ-HNNXBMFYSA-N -1 0 344.342 3.559 20 0 EHADRM CC(C)c1ccc(CN(C(=O)CS[C@@H](C)CC(=O)[O-])C2CC2)cc1 ZINC000736550194 600581213 /nfs/dbraw/zinc/58/12/13/600581213.db2.gz CTPCOUXRZYUOOX-AWEZNQCLSA-N -1 0 349.496 3.897 20 0 EHADRM Cc1ccc(NC(=O)Cc2cc(-c3ccccc3)on2)c(C(=O)[O-])c1 ZINC000738625462 600585293 /nfs/dbraw/zinc/58/52/93/600585293.db2.gz GTACOTNWCICNBQ-UHFFFAOYSA-N -1 0 336.347 3.529 20 0 EHADRM C[C@H](CC(=O)[O-])SCC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000736550013 600585912 /nfs/dbraw/zinc/58/59/12/600585912.db2.gz BRHRNQLLMKWIHG-VXGBXAGGSA-N -1 0 339.482 3.500 20 0 EHADRM CC[C@H](Nc1ccccc1)C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000736925035 600588898 /nfs/dbraw/zinc/58/88/98/600588898.db2.gz PQQDJSZNNOYGRX-ZWKOTPCHSA-N -1 0 340.423 3.599 20 0 EHADRM CN(C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737312533 600589866 /nfs/dbraw/zinc/58/98/66/600589866.db2.gz DMZIANHAMCBYML-MCIONIFRSA-N -1 0 343.345 3.639 20 0 EHADRM Cc1ccc(CCCC(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000738589690 600592108 /nfs/dbraw/zinc/59/21/08/600592108.db2.gz URMYYBMCVGBAGX-LJQANCHMSA-N -1 0 325.408 3.602 20 0 EHADRM C[C@H](CC(=O)[O-])SCC(=O)Nc1ccccc1Cc1ccccc1 ZINC000736551137 600594364 /nfs/dbraw/zinc/59/43/64/600594364.db2.gz AJDCKUJEFBKRJD-CQSZACIVSA-N -1 0 343.448 3.812 20 0 EHADRM C[C@H](CC(=O)[O-])SCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000736550460 600594442 /nfs/dbraw/zinc/59/44/42/600594442.db2.gz FCGRUSZXNHISNC-PXAZEXFGSA-N -1 0 349.477 3.550 20 0 EHADRM CN(C(=O)c1csc2ccccc12)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737348408 600595503 /nfs/dbraw/zinc/59/55/03/600595503.db2.gz NZIZBOXUZRNBHG-MRXNPFEDSA-N -1 0 325.389 3.799 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)CCC(=O)c1ccc2ccccc2c1 ZINC000736460977 600596197 /nfs/dbraw/zinc/59/61/97/600596197.db2.gz GWOAPCSVWKXFCU-UHFFFAOYSA-N -1 0 341.407 3.514 20 0 EHADRM C[C@H](CSCc1cccc(C(=O)Nc2ccccc2)c1)C(=O)[O-] ZINC000736612767 600598390 /nfs/dbraw/zinc/59/83/90/600598390.db2.gz DSPYGQMDTZOEAC-CYBMUJFWSA-N -1 0 329.421 3.893 20 0 EHADRM CCC/C=C/C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000736972784 600604144 /nfs/dbraw/zinc/60/41/44/600604144.db2.gz GLIMKVZBBQQLFB-URPWPPKMSA-N -1 0 325.408 3.556 20 0 EHADRM O=C([O-])CN(C(=O)CCc1ccc(-c2ccccc2)[nH]1)c1ccccc1 ZINC000739784968 600604210 /nfs/dbraw/zinc/60/42/10/600604210.db2.gz IHRTVGDZAQHOTH-UHFFFAOYSA-N -1 0 348.402 3.732 20 0 EHADRM O=C([O-])CN(C(=O)C(F)(F)c1cccc(Cl)c1)c1ccccc1 ZINC000739781700 600604551 /nfs/dbraw/zinc/60/45/51/600604551.db2.gz NJXXHDDNPNBNJB-UHFFFAOYSA-N -1 0 339.725 3.550 20 0 EHADRM Cc1ccc(Cl)c(O[C@@H](C)C(=O)N(CC(=O)[O-])c2ccccc2)c1 ZINC000337746033 600604965 /nfs/dbraw/zinc/60/49/65/600604965.db2.gz NYKLZSCLCNUKLW-ZDUSSCGKSA-N -1 0 347.798 3.534 20 0 EHADRM O=C([O-])CN(C(=O)Cc1csc2ccccc12)c1ccccc1 ZINC000337701356 600605106 /nfs/dbraw/zinc/60/51/06/600605106.db2.gz CBYICVRFKQNGMQ-UHFFFAOYSA-N -1 0 325.389 3.562 20 0 EHADRM CCC(CC)C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000236938304 600606541 /nfs/dbraw/zinc/60/65/41/600606541.db2.gz YPYBPHWONJVQEF-GOSISDBHSA-N -1 0 327.424 3.636 20 0 EHADRM C/C=C/C=C/C(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)[O-] ZINC000736840967 600607727 /nfs/dbraw/zinc/60/77/27/600607727.db2.gz WIAUBBNQUYIHAK-MQQKCMAXSA-N -1 0 342.222 3.581 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])s1)c1ccc(F)cc1Cl ZINC000237602344 600607988 /nfs/dbraw/zinc/60/79/88/600607988.db2.gz BNSNRYORRJAQAW-ZETCQYMHSA-N -1 0 327.764 3.730 20 0 EHADRM Cc1cc(COC(=O)[C@@H](Cc2ccccc2)C(C)C)oc1C(=O)[O-] ZINC000738393762 600618400 /nfs/dbraw/zinc/61/84/00/600618400.db2.gz YYBILLHWBGTINH-INIZCTEOSA-N -1 0 330.380 3.844 20 0 EHADRM C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000322757576 600619370 /nfs/dbraw/zinc/61/93/70/600619370.db2.gz YTUDWBJIICIOOL-VIFPVBQESA-N -1 0 337.734 3.583 20 0 EHADRM CC(C)[C@H](NC(=O)c1cccc(C(=O)[O-])n1)c1ccccc1Cl ZINC000362528457 600619862 /nfs/dbraw/zinc/61/98/62/600619862.db2.gz MVLICXDBDFQLEL-HNNXBMFYSA-N -1 0 332.787 3.560 20 0 EHADRM Cc1ccc(O[C@@H](C)C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000322646003 600620649 /nfs/dbraw/zinc/62/06/49/600620649.db2.gz ZNFZYKJEJOHFJP-NSHDSACASA-N -1 0 333.771 3.753 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)C2(c3cccc(F)c3)CC2)c1 ZINC000740075123 600622630 /nfs/dbraw/zinc/62/26/30/600622630.db2.gz XXGHKXPFVDQQJG-UHFFFAOYSA-N -1 0 333.746 3.848 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2cccc3cccnc32)c1 ZINC000391352662 600624662 /nfs/dbraw/zinc/62/46/62/600624662.db2.gz IXAMTAVRZTZHNV-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM CC(C)[C@@H](C)CNC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000736355616 600626448 /nfs/dbraw/zinc/62/64/48/600626448.db2.gz PXPZVWNLOLSSAL-ZDUSSCGKSA-N -1 0 338.473 3.808 20 0 EHADRM CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000736928910 600626717 /nfs/dbraw/zinc/62/67/17/600626717.db2.gz HJKRYGMTHRRNGT-MRXNPFEDSA-N -1 0 345.374 3.924 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CSCc2ccc3c(c2)CCC3)cc1 ZINC000739336130 600640279 /nfs/dbraw/zinc/64/02/79/600640279.db2.gz ASOFOELTYYAPQF-UHFFFAOYSA-N -1 0 341.432 3.745 20 0 EHADRM CCN(C(=O)c1cc2cc(F)ccc2o1)c1ccccc1C(=O)[O-] ZINC000737058741 600647750 /nfs/dbraw/zinc/64/77/50/600647750.db2.gz SVRDVQLWTPIOEF-UHFFFAOYSA-N -1 0 327.311 3.937 20 0 EHADRM Cc1oc(CN(C)C(=O)NCC[C@@H]2CCC[C@H](C)C2)cc1C(=O)[O-] ZINC000738967910 600648049 /nfs/dbraw/zinc/64/80/49/600648049.db2.gz SWHOQNJVYDDLJF-JSGCOSHPSA-N -1 0 336.432 3.644 20 0 EHADRM CCCCO[C@H](C)C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000829413284 600653313 /nfs/dbraw/zinc/65/33/13/600653313.db2.gz KPDSTYCZLBQLKM-NOZJJQNGSA-N -1 0 349.210 3.868 20 0 EHADRM C[C@@]1(C(=O)O[C@@H](C(=O)[O-])c2ccccc2F)CCCc2ccccc21 ZINC000828035655 600655380 /nfs/dbraw/zinc/65/53/80/600655380.db2.gz VPSLHGMOPSEOIQ-YLJYHZDGSA-N -1 0 342.366 3.789 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)Nc2nc(CC(=O)[O-])cs2)cc1 ZINC000236807010 600661075 /nfs/dbraw/zinc/66/10/75/600661075.db2.gz JYFNKZGVWUXPPI-LSDHHAIUSA-N -1 0 344.436 3.636 20 0 EHADRM CSc1ccc(O[C@H](C)C(=O)Nc2ccc(F)cc2C(=O)[O-])cc1 ZINC000738212196 600661996 /nfs/dbraw/zinc/66/19/96/600661996.db2.gz KSCLOQKBIJINAN-SNVBAGLBSA-N -1 0 349.383 3.652 20 0 EHADRM CSc1ccc(O[C@@H](C)C(=O)Nc2ccc(F)cc2C(=O)[O-])cc1 ZINC000738212195 600662058 /nfs/dbraw/zinc/66/20/58/600662058.db2.gz KSCLOQKBIJINAN-JTQLQIEISA-N -1 0 349.383 3.652 20 0 EHADRM CSc1ccc(O[C@H](C)C(=O)Nc2cccc(F)c2C(=O)[O-])cc1 ZINC000738213440 600662472 /nfs/dbraw/zinc/66/24/72/600662472.db2.gz XAJORJAXTYPPAH-SNVBAGLBSA-N -1 0 349.383 3.652 20 0 EHADRM CCCn1ccc2cc(NC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)ccc21 ZINC000179983348 600663063 /nfs/dbraw/zinc/66/30/63/600663063.db2.gz ANRUIMVYQIRDOZ-HUUCEWRRSA-N -1 0 328.412 3.881 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N2CCSC[C@H]2CC(=O)[O-])cc1 ZINC000236746830 600666488 /nfs/dbraw/zinc/66/64/88/600666488.db2.gz GXMXOUXZJBEBDQ-RHSMWYFYSA-N -1 0 349.496 3.722 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cc(Cl)nc(Cl)c1)c1ccccc1F ZINC000833351233 600668606 /nfs/dbraw/zinc/66/86/06/600668606.db2.gz JVXDZILHIHAFOV-GFCCVEGCSA-N -1 0 344.125 3.510 20 0 EHADRM CC(C)CCc1nc(CN(C)[C@H](C(=O)[O-])c2ccccc2)cs1 ZINC000736435189 600672087 /nfs/dbraw/zinc/67/20/87/600672087.db2.gz BPPRLCRCDCNNII-KRWDZBQOSA-N -1 0 332.469 3.989 20 0 EHADRM Cc1sc(NC(=O)CNc2cc(C(=O)[O-])ccc2F)c(C)c1C ZINC000738998151 600676390 /nfs/dbraw/zinc/67/63/90/600676390.db2.gz ZOAMOHZELWBSHA-UHFFFAOYSA-N -1 0 336.388 3.561 20 0 EHADRM Cc1cccc(NC(=O)CNc2ccc(C(C)(C)C(=O)[O-])cc2)c1C ZINC000738734825 600680323 /nfs/dbraw/zinc/68/03/23/600680323.db2.gz OWLVFKTYASLVAO-UHFFFAOYSA-N -1 0 340.423 3.716 20 0 EHADRM Cc1[nH]c(C(=O)Nc2ccc3cn(C(C)C)nc3c2)c(C)c1C(=O)[O-] ZINC000738155131 600681405 /nfs/dbraw/zinc/68/14/05/600681405.db2.gz CEBIGANTVUHWSY-UHFFFAOYSA-N -1 0 340.383 3.513 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000739892366 600686166 /nfs/dbraw/zinc/68/61/66/600686166.db2.gz PAFPMIAANJHYMN-LSDHHAIUSA-N -1 0 330.767 3.676 20 0 EHADRM CC(C)C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000427973048 600687682 /nfs/dbraw/zinc/68/76/82/600687682.db2.gz NLSRPVXHLJEPBN-GOSISDBHSA-N -1 0 325.408 3.831 20 0 EHADRM CC(C)(C)c1csc(-c2cccc(OC(=O)CCNC(=O)[O-])c2)n1 ZINC000736298660 600690931 /nfs/dbraw/zinc/69/09/31/600690931.db2.gz GDBPDTARKNLUKY-UHFFFAOYSA-N -1 0 348.424 3.671 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)OCc2cc(C(=O)[O-])co2)c1 ZINC000826648221 600703725 /nfs/dbraw/zinc/70/37/25/600703725.db2.gz VNUCWKXRSQHPSK-UHFFFAOYSA-N -1 0 330.336 3.680 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)OCc2occc2C(=O)[O-])c1 ZINC000826648085 600703730 /nfs/dbraw/zinc/70/37/30/600703730.db2.gz ROJNNYWJAAVTHC-UHFFFAOYSA-N -1 0 330.336 3.680 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@H]1CCSc2ccccc21)c1ccc(F)cc1 ZINC000833349898 600710894 /nfs/dbraw/zinc/71/08/94/600710894.db2.gz HCYJMHYAXNRRJX-GOEBONIOSA-N -1 0 346.379 3.774 20 0 EHADRM C[C@H](OC(=O)[C@H]1SCCc2ccccc21)c1ccc(C(=O)[O-])o1 ZINC000827825934 600712392 /nfs/dbraw/zinc/71/23/92/600712392.db2.gz JMVMRGOYGXRRAX-BONVTDFDSA-N -1 0 332.377 3.613 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000827427109 600721453 /nfs/dbraw/zinc/72/14/53/600721453.db2.gz AXJRMWKGCZMQCT-PXAZEXFGSA-N -1 0 348.345 3.903 20 0 EHADRM Cc1cc(COC(=O)[C@@H](C)CCc2cccc(F)c2)oc1C(=O)[O-] ZINC000832886525 600722932 /nfs/dbraw/zinc/72/29/32/600722932.db2.gz TZSUJGRITJMGNL-NSHDSACASA-N -1 0 334.343 3.737 20 0 EHADRM CSc1ccc(O[C@H](C)C(=O)OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000738210915 600734698 /nfs/dbraw/zinc/73/46/98/600734698.db2.gz DHUDDUFCHPIVPF-GFCCVEGCSA-N -1 0 346.404 3.617 20 0 EHADRM COc1ccc(N[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)cn1 ZINC000832408591 600735986 /nfs/dbraw/zinc/73/59/86/600735986.db2.gz WWKLHGOBTSXJEO-CYBMUJFWSA-N -1 0 327.167 3.635 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H]2C[C@H]2c2c(F)cccc2Cl)cc1 ZINC000739467391 600742693 /nfs/dbraw/zinc/74/26/93/600742693.db2.gz RUTCOMUPMBYVJK-RISCZKNCSA-N -1 0 348.761 3.855 20 0 EHADRM CC[C@@H]1CCC[C@H](NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000320943896 600742717 /nfs/dbraw/zinc/74/27/17/600742717.db2.gz IMMSZYXHPLEQAN-ZJUUUORDSA-N -1 0 326.343 3.753 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)NC2CCC(C(=O)[O-])CC2)c1C ZINC000263507589 600747984 /nfs/dbraw/zinc/74/79/84/600747984.db2.gz XPZGCLVLDILCCC-LEOMRAHMSA-N -1 0 344.455 3.793 20 0 EHADRM Cc1ccnc(-c2ccc(N[C@@H](C(=O)[O-])c3ccccc3F)cc2)n1 ZINC000832983138 600750590 /nfs/dbraw/zinc/75/05/90/600750590.db2.gz KMQMMSUBDQVTGS-QGZVFWFLSA-N -1 0 337.354 3.829 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N[C@@H](CC2CC2)c2ccccc2)cc1 ZINC000833144505 600763801 /nfs/dbraw/zinc/76/38/01/600763801.db2.gz SYPRPDOVJQVLSN-SFHVURJKSA-N -1 0 338.407 3.725 20 0 EHADRM CCOc1ccccc1OCCOc1ccc(C(=O)[O-])cc1Cl ZINC000390899676 600800172 /nfs/dbraw/zinc/80/01/72/600800172.db2.gz MULAUFDWICZCRZ-UHFFFAOYSA-N -1 0 336.771 3.895 20 0 EHADRM Cc1oc(CN(C)C(=O)NC[C@H](C)c2cccc(C)c2)cc1C(=O)[O-] ZINC000738691944 600802496 /nfs/dbraw/zinc/80/24/96/600802496.db2.gz PEJAQYLPWCZLHV-ZDUSSCGKSA-N -1 0 344.411 3.540 20 0 EHADRM CCCCSCC(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000776678719 600807122 /nfs/dbraw/zinc/80/71/22/600807122.db2.gz RSIGXPVBKXRDBU-CYBMUJFWSA-N -1 0 329.849 3.505 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)c1cccc3cnccc31)CCC2 ZINC000833294778 600807744 /nfs/dbraw/zinc/80/77/44/600807744.db2.gz VENSBKSOZQHRJU-UHFFFAOYSA-N -1 0 338.388 3.736 20 0 EHADRM Cc1cccc([C@@H](C)CNC(=O)Nc2ccc(CNC(=O)[O-])cc2)c1 ZINC000738692399 600810660 /nfs/dbraw/zinc/81/06/60/600810660.db2.gz QVZKVSJTCJXIAG-AWEZNQCLSA-N -1 0 341.411 3.688 20 0 EHADRM COc1cccc(CCCOc2ccc(/C=C\C(=O)[O-])cc2OC)c1 ZINC000738094501 600817542 /nfs/dbraw/zinc/81/75/42/600817542.db2.gz JNXRSMMHSOZPKG-LUAWRHEFSA-N -1 0 342.391 3.813 20 0 EHADRM C[C@H]1CCC[C@H](C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC000736772284 600827430 /nfs/dbraw/zinc/82/74/30/600827430.db2.gz AIAYICLNDRUVON-KBPBESRZSA-N -1 0 330.428 3.750 20 0 EHADRM Cc1csc(SCCOc2ccc(C(=O)[O-])cc2Cl)n1 ZINC000832989485 600834052 /nfs/dbraw/zinc/83/40/52/600834052.db2.gz KCSCEEQMUDRQOI-UHFFFAOYSA-N -1 0 329.830 3.974 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)c1 ZINC000740042366 600834345 /nfs/dbraw/zinc/83/43/45/600834345.db2.gz GKBQEHSQEIJHSC-OLZOCXBDSA-N -1 0 332.306 3.797 20 0 EHADRM CC[C@](C)(NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000262384562 600836506 /nfs/dbraw/zinc/83/65/06/600836506.db2.gz DIHQUCLXWGWOJZ-BMIGLBTASA-N -1 0 331.334 3.569 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccc3[nH]c(C4CCC4)nc3c2)C1 ZINC000179990857 600836657 /nfs/dbraw/zinc/83/66/57/600836657.db2.gz VSFBRIKEKNWCTQ-QWHCGFSZSA-N -1 0 341.411 3.660 20 0 EHADRM O=C([O-])[C@H](Sc1nccn1-c1ccccc1)c1ccccc1F ZINC000833168956 600837558 /nfs/dbraw/zinc/83/75/58/600837558.db2.gz GUKAIVDOLFIJDW-OAHLLOKOSA-N -1 0 328.368 3.929 20 0 EHADRM O=C([O-])[C@@H](Sc1ccc(Br)cn1)c1ccccc1F ZINC000833170231 600837600 /nfs/dbraw/zinc/83/76/00/600837600.db2.gz OMYOKFCOCZMLRI-LBPRGKRZSA-N -1 0 342.189 3.901 20 0 EHADRM Cc1nc2ccccc2nc1S[C@H](C(=O)[O-])c1ccccc1F ZINC000833005625 600837624 /nfs/dbraw/zinc/83/76/24/600837624.db2.gz DUUICSPWRWJPDK-HNNXBMFYSA-N -1 0 328.368 3.995 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)[C@@H]1C[C@@H]1C1CCCCC1)c1ccccc1 ZINC000362331035 600840159 /nfs/dbraw/zinc/84/01/59/600840159.db2.gz XOHBLOZNDCOWFM-KURKYZTESA-N -1 0 329.440 3.925 20 0 EHADRM C[C@H]1CCC[C@H](C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC000621564839 600842028 /nfs/dbraw/zinc/84/20/28/600842028.db2.gz XFXSWSVTOIZQHN-UWVGGRQHSA-N -1 0 327.327 3.751 20 0 EHADRM CC(C)[C@H](C)SCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000826680791 600843221 /nfs/dbraw/zinc/84/32/21/600843221.db2.gz IPKNEQXSIGCHJH-VIFPVBQESA-N -1 0 327.471 3.651 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000237504696 600851050 /nfs/dbraw/zinc/85/10/50/600851050.db2.gz IWIXDPSMEBUSRF-LLVKDONJSA-N -1 0 333.334 3.870 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000737257458 600855354 /nfs/dbraw/zinc/85/53/54/600855354.db2.gz OYRPWODSWYXODS-PBHICJAKSA-N -1 0 337.419 3.958 20 0 EHADRM C/C(=C\C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21)c1cccc(F)c1 ZINC000736120988 600858918 /nfs/dbraw/zinc/85/89/18/600858918.db2.gz NLDMTAGWUCVUTE-GLNPCMGASA-N -1 0 339.366 3.834 20 0 EHADRM CC(C)[C@@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000236641427 600859010 /nfs/dbraw/zinc/85/90/10/600859010.db2.gz LKEPWLAJGXMAJZ-GOSISDBHSA-N -1 0 325.408 3.783 20 0 EHADRM CCCOc1cccc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c1 ZINC000393127333 600860472 /nfs/dbraw/zinc/86/04/72/600860472.db2.gz SVDIVYIPWITIMU-OAHLLOKOSA-N -1 0 339.391 3.694 20 0 EHADRM Cc1nc(C2CCCC2)sc1C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000237616763 600871331 /nfs/dbraw/zinc/87/13/31/600871331.db2.gz LLBNAAXDFRXFFH-CQSZACIVSA-N -1 0 344.436 3.665 20 0 EHADRM CN(C(=O)/C=C\C1CC1)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000830464803 600872395 /nfs/dbraw/zinc/87/23/95/600872395.db2.gz MOHXIOWKEKAMPV-HJHHMULASA-N -1 0 328.195 3.544 20 0 EHADRM C[C@@]1(C(=O)Nc2ccc(C(=O)[O-])cc2F)CCc2ccccc2C1 ZINC000827976651 600876965 /nfs/dbraw/zinc/87/69/65/600876965.db2.gz WITRNBFTZCGVLB-LJQANCHMSA-N -1 0 327.355 3.658 20 0 EHADRM C[C@]1(C(=O)Nc2ccc(C(=O)[O-])cc2F)CCc2ccccc2C1 ZINC000827976650 600876991 /nfs/dbraw/zinc/87/69/91/600876991.db2.gz WITRNBFTZCGVLB-IBGZPJMESA-N -1 0 327.355 3.658 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)CCc2cc(F)ccc2F)cc1 ZINC000262486580 600880761 /nfs/dbraw/zinc/88/07/61/600880761.db2.gz LHGNVWUGMBPYNV-UHFFFAOYSA-N -1 0 347.361 3.898 20 0 EHADRM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000262709434 600882101 /nfs/dbraw/zinc/88/21/01/600882101.db2.gz FBKXGZDJNMOINV-CJNGLKHVSA-N -1 0 333.428 3.583 20 0 EHADRM C/C(=C/C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1)C(C)(C)C ZINC000236619648 600882341 /nfs/dbraw/zinc/88/23/41/600882341.db2.gz ADBUKRGNYSQGPI-XFXZXTDPSA-N -1 0 339.382 3.761 20 0 EHADRM Cc1c(NC(=O)C[C@H](C)C(=O)c2cccc(F)c2)cccc1C(=O)[O-] ZINC000832857469 600882389 /nfs/dbraw/zinc/88/23/89/600882389.db2.gz OXCKAZRIRPIYCL-NSHDSACASA-N -1 0 343.354 3.680 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N1CCCC(C)(C)CC1)C(=O)[O-] ZINC000237368031 600883746 /nfs/dbraw/zinc/88/37/46/600883746.db2.gz GFIHZYIGKQBDOL-CYBMUJFWSA-N -1 0 335.469 3.904 20 0 EHADRM CCCCOc1ccc(OC)cc1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000262566100 600888696 /nfs/dbraw/zinc/88/86/96/600888696.db2.gz LKZHTRSMSCONTH-KBPBESRZSA-N -1 0 349.427 3.704 20 0 EHADRM Cc1cccc(F)c1CNC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000832970250 600898240 /nfs/dbraw/zinc/89/82/40/600898240.db2.gz VOBUDTQEJKPZSV-GFCCVEGCSA-N -1 0 347.411 3.629 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)s1 ZINC000833119717 600900955 /nfs/dbraw/zinc/90/09/55/600900955.db2.gz HQLHQGIECUHLFA-UHFFFAOYSA-N -1 0 341.388 3.862 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2csc(-c3cccs3)n2)s1 ZINC000035425517 600901560 /nfs/dbraw/zinc/90/15/60/600901560.db2.gz OKLQAORQLGQXOU-UHFFFAOYSA-N -1 0 336.419 3.884 20 0 EHADRM CSc1ccc(C)c(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)c1 ZINC000391828824 600909131 /nfs/dbraw/zinc/90/91/31/600909131.db2.gz WVLGEGCBDYGKAS-ZDUSSCGKSA-N -1 0 341.432 3.936 20 0 EHADRM CC(C)C[C@H](CNC(=O)C(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000262468503 600917842 /nfs/dbraw/zinc/91/78/42/600917842.db2.gz JFQXWCNJJCYPSC-GOSISDBHSA-N -1 0 339.435 3.682 20 0 EHADRM CC(C)C[C@@H](CNC(=O)C1(c2cccc(Cl)c2)CCC1)C(=O)[O-] ZINC000391267866 600921881 /nfs/dbraw/zinc/92/18/81/600921881.db2.gz KLKLFEATKVPYHD-ZDUSSCGKSA-N -1 0 337.847 3.625 20 0 EHADRM CCC(CC)(NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000342554088 600921920 /nfs/dbraw/zinc/92/19/20/600921920.db2.gz BHFKZFVTCLXANA-UHFFFAOYSA-N -1 0 325.408 3.656 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000391306870 600923465 /nfs/dbraw/zinc/92/34/65/600923465.db2.gz SWTBNZJGJFNOST-NSHDSACASA-N -1 0 337.803 3.871 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2cc(F)ccc2N2CCCCC2)C1 ZINC000833185974 600924409 /nfs/dbraw/zinc/92/44/09/600924409.db2.gz JJSOTLUNNSHFJT-KBPBESRZSA-N -1 0 348.418 3.646 20 0 EHADRM Cc1cccc(C2(C(=O)NC[C@H](CC(C)C)C(=O)[O-])CCCC2)c1 ZINC000486297247 600925731 /nfs/dbraw/zinc/92/57/31/600925731.db2.gz UMSGDULNPPHUKJ-INIZCTEOSA-N -1 0 331.456 3.670 20 0 EHADRM CC(C)C[C@@H](CNC(=O)C[C@H](c1ccccc1)C(F)(F)F)C(=O)[O-] ZINC000262522460 600925788 /nfs/dbraw/zinc/92/57/88/600925788.db2.gz QWKSUTDQSWKZOV-UONOGXRCSA-N -1 0 345.361 3.586 20 0 EHADRM COc1ccccc1[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000832601157 600935232 /nfs/dbraw/zinc/93/52/32/600935232.db2.gz FXUPFEQBMJTWKJ-VYDXJSESSA-N -1 0 345.439 3.640 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(F)c(Br)c2)cc1 ZINC000132956317 600936320 /nfs/dbraw/zinc/93/63/20/600936320.db2.gz NUBSSSFAHIOXDW-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM CCCOc1ccc(CCC(=O)Oc2ccccc2C(=O)[O-])cc1 ZINC000829532613 600938056 /nfs/dbraw/zinc/93/80/56/600938056.db2.gz VIKWBZUDHRYQOQ-UHFFFAOYSA-N -1 0 328.364 3.712 20 0 EHADRM O=C([O-])c1cccc(OC(=O)c2ccc(F)c(Br)c2)c1 ZINC000833331307 600938304 /nfs/dbraw/zinc/93/83/04/600938304.db2.gz ALDZGMYJZSYHAE-UHFFFAOYSA-N -1 0 339.116 3.506 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)[C@H]2C[C@]23CCCc2ccccc23)cc1 ZINC000833266168 600939385 /nfs/dbraw/zinc/93/93/85/600939385.db2.gz LJHBTGCXCROIOB-NQIIRXRSSA-N -1 0 336.387 3.513 20 0 EHADRM CCN(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)C12CC3CC(CC(C3)C1)C2 ZINC000829591682 600944972 /nfs/dbraw/zinc/94/49/72/600944972.db2.gz WLBKSMCKJHCJNR-QXIYBXNSSA-N -1 0 333.472 3.695 20 0 EHADRM COC(=O)c1cc(NC(=O)C[C@@H](C)CC(C)(C)C)ccc1C(=O)[O-] ZINC000831264867 600948344 /nfs/dbraw/zinc/94/83/44/600948344.db2.gz RHAAGOHPCVWLGP-LLVKDONJSA-N -1 0 335.400 3.572 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000833184604 600948666 /nfs/dbraw/zinc/94/86/66/600948666.db2.gz HVQVFHRTZAJZGL-ZENOOKHLSA-N -1 0 337.366 3.519 20 0 EHADRM CC(C)C[C@@H](OC(=O)C[C@@H](c1ccccc1)C(F)(F)F)C(=O)[O-] ZINC000826813254 600949908 /nfs/dbraw/zinc/94/99/08/600949908.db2.gz NEUDATYSZLDOLR-QWHCGFSZSA-N -1 0 332.318 3.765 20 0 EHADRM CN(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1cc(Cl)cc(Cl)c1 ZINC000830464731 600952320 /nfs/dbraw/zinc/95/23/20/600952320.db2.gz LHPXWNLDBHTTFE-ZJUUUORDSA-N -1 0 330.211 3.847 20 0 EHADRM CC(C)C[C@@H](OC(=O)[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000826812597 600953994 /nfs/dbraw/zinc/95/39/94/600953994.db2.gz KOOAZPPZKJPGCZ-ZWNOBZJWSA-N -1 0 332.318 3.851 20 0 EHADRM CC(C)C[C@@H](OC(=O)CCC(=O)c1ccc2ccccc2c1)C(=O)[O-] ZINC000826815268 600954352 /nfs/dbraw/zinc/95/43/52/600954352.db2.gz YNVBCQOJFKSGCX-GOSISDBHSA-N -1 0 342.391 3.845 20 0 EHADRM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000647160646 600956757 /nfs/dbraw/zinc/95/67/57/600956757.db2.gz VZGWJESKOBCPJE-IIAWOOMASA-N -1 0 337.847 3.668 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)Oc1ccccc1CC(=O)[O-] ZINC000827427105 600958784 /nfs/dbraw/zinc/95/87/84/600958784.db2.gz APXOEGSLHGFTMD-CYBMUJFWSA-N -1 0 330.355 3.627 20 0 EHADRM Cc1ccc(-c2noc(CN3C[C@H](CC(=O)[O-])c4ccccc43)n2)cc1 ZINC000738495495 600959183 /nfs/dbraw/zinc/95/91/83/600959183.db2.gz VNZGMGQGGIJMFL-HNNXBMFYSA-N -1 0 349.390 3.624 20 0 EHADRM CCO[C@@H]1C[C@@H](OC(=O)c2ccc(C(=O)[O-])cc2)C12CCCCC2 ZINC000829930927 600960897 /nfs/dbraw/zinc/96/08/97/600960897.db2.gz FRGSPVWIZDGGOL-HZPDHXFCSA-N -1 0 332.396 3.670 20 0 EHADRM O=C([O-])C[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc21 ZINC000325270234 600961607 /nfs/dbraw/zinc/96/16/07/600961607.db2.gz HCLYIMSRFULMJQ-LBPRGKRZSA-N -1 0 346.770 3.827 20 0 EHADRM COc1ccc(Cl)cc1CN1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000321558070 600965477 /nfs/dbraw/zinc/96/54/77/600965477.db2.gz XJORBTJWDCQQJC-GFCCVEGCSA-N -1 0 331.799 3.927 20 0 EHADRM Cc1nc(NC(=O)c2cc3cc(C)c(C)cc3o2)sc1C(=O)[O-] ZINC000832906074 600966012 /nfs/dbraw/zinc/96/60/12/600966012.db2.gz QVJCFVUJXDXQJK-UHFFFAOYSA-N -1 0 330.365 3.765 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N(Cc2ccoc2)C2CCCCC2)C1 ZINC000180017334 600968527 /nfs/dbraw/zinc/96/85/27/600968527.db2.gz SFLYQIAIWJJQFD-HZPDHXFCSA-N -1 0 333.428 3.832 20 0 EHADRM CCOc1cccc(NC(=S)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC000830104151 600970431 /nfs/dbraw/zinc/97/04/31/600970431.db2.gz AEAYVPBDKHBPHE-UHFFFAOYSA-N -1 0 334.372 3.732 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccccc2CC(F)(F)F)C1 ZINC000180020654 600970790 /nfs/dbraw/zinc/97/07/90/600970790.db2.gz FWLJATWKXRLXNW-MNOVXSKESA-N -1 0 329.318 3.621 20 0 EHADRM Cc1ccc(Cl)c(NC(=S)N2CCC[C@H](C(=O)[O-])C2)c1Cl ZINC000832934907 600972161 /nfs/dbraw/zinc/97/21/61/600972161.db2.gz MRKLXLMOOBINKO-VIFPVBQESA-N -1 0 347.267 3.795 20 0 EHADRM O=C([O-])CCCSc1n[nH]c(-c2cc(Cl)cc(Cl)c2)n1 ZINC000739697011 600987342 /nfs/dbraw/zinc/98/73/42/600987342.db2.gz FIXMWVSOKGRMKE-UHFFFAOYSA-N -1 0 332.212 3.735 20 0 EHADRM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC000345787660 600998916 /nfs/dbraw/zinc/99/89/16/600998916.db2.gz WGYKAYPGIYXGGG-WBMJQRKESA-N -1 0 331.799 3.776 20 0 EHADRM C[C@H](C(=O)N[C@H](CC(=O)[O-])c1cccs1)c1cccc(Cl)c1 ZINC000678976873 600999528 /nfs/dbraw/zinc/99/95/28/600999528.db2.gz JUWDAVQWRQOMKR-GXFFZTMASA-N -1 0 337.828 3.837 20 0 EHADRM C[C@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000540670818 601002063 /nfs/dbraw/zinc/00/20/63/601002063.db2.gz FPXGLHQNBPCVHN-LBPRGKRZSA-N -1 0 331.799 3.800 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1)Oc1cccc(Cl)c1 ZINC000827485968 601006287 /nfs/dbraw/zinc/00/62/87/601006287.db2.gz FKKXEYMNKSEDDR-NSHDSACASA-N -1 0 348.786 3.627 20 0 EHADRM CC[C@](NC(=O)[C@@H](C)c1cccc(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC000561735788 601010509 /nfs/dbraw/zinc/01/05/09/601010509.db2.gz LPRJQXLLLKBGHG-ORAYPTAESA-N -1 0 345.826 3.950 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(OCCCC(=O)[O-])cc1)c1cccc(F)c1 ZINC000237493048 601011015 /nfs/dbraw/zinc/01/10/15/601011015.db2.gz OWKJTTMCWFAYBZ-CYBMUJFWSA-N -1 0 345.370 3.812 20 0 EHADRM CCN(C(=O)c1ccccc1OCC1CC1)c1ccccc1C(=O)[O-] ZINC000737061731 601013978 /nfs/dbraw/zinc/01/39/78/601013978.db2.gz HBDXWUHNUVIBLU-UHFFFAOYSA-N -1 0 339.391 3.840 20 0 EHADRM CCOc1ccccc1OCCN1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000393043384 601014722 /nfs/dbraw/zinc/01/47/22/601014722.db2.gz YTIUTGMDJOWECX-OAHLLOKOSA-N -1 0 341.407 3.543 20 0 EHADRM C/C(=C\C(=O)N(CC(=O)[O-])c1cccc(C)n1)c1ccccc1Cl ZINC000736117440 601015667 /nfs/dbraw/zinc/01/56/67/601015667.db2.gz JUDMTSYWDZMMFG-ZRDIBKRKSA-N -1 0 344.798 3.565 20 0 EHADRM Cc1cccc(N(CC(=O)[O-])C(=O)C[C@H](c2ccccc2)C(C)C)n1 ZINC000738718910 601017030 /nfs/dbraw/zinc/01/70/30/601017030.db2.gz BYZKBAHLXHZYMI-KRWDZBQOSA-N -1 0 340.423 3.638 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N[C@H]2C[C@H]2Cc2ccccc2)cc1 ZINC000833291118 601021688 /nfs/dbraw/zinc/02/16/88/601021688.db2.gz YKRVLECEPSQPHB-CJNGLKHVSA-N -1 0 325.368 3.529 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)CCCOc1ccc(Cl)cc1 ZINC000739893238 601024286 /nfs/dbraw/zinc/02/42/86/601024286.db2.gz WUSHTMOYZDPLDZ-UHFFFAOYSA-N -1 0 348.782 3.732 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1)Sc1ccccc1 ZINC000827487238 601025835 /nfs/dbraw/zinc/02/58/35/601025835.db2.gz YKUUPLHKVWTECT-NSHDSACASA-N -1 0 348.399 3.826 20 0 EHADRM O=C([O-])CCN(C(=O)c1cnc2ccsc2c1)c1cccc(F)c1 ZINC000739717012 601026111 /nfs/dbraw/zinc/02/61/11/601026111.db2.gz DRRPNXBPLGHCDK-UHFFFAOYSA-N -1 0 344.367 3.557 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1ccc(CC(=O)[O-])cc1)c1nc(C)cs1 ZINC000828686296 601032356 /nfs/dbraw/zinc/03/23/56/601032356.db2.gz YTZVJJYMSYCQCL-QGZVFWFLSA-N -1 0 347.440 3.526 20 0 EHADRM C[C@@H]1C[C@@H]1[C@@H](NC(=O)c1cccc(C(=O)[O-])n1)c1ccc(Cl)cc1 ZINC000736763712 601034297 /nfs/dbraw/zinc/03/42/97/601034297.db2.gz DAYWEBRMKNOTOC-HICWGWBUSA-N -1 0 344.798 3.560 20 0 EHADRM CCc1ccc(CCC(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)cc1 ZINC000737260230 601036199 /nfs/dbraw/zinc/03/61/99/601036199.db2.gz GFNRKNGTOJWOGV-UHFFFAOYSA-N -1 0 344.436 3.532 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Nc2ccc(F)c(C#N)c2)cc1 ZINC000327096052 601038249 /nfs/dbraw/zinc/03/82/49/601038249.db2.gz AGQNQBHXHKECMH-UHFFFAOYSA-N -1 0 341.342 3.704 20 0 EHADRM Cc1c(NS(=O)(=O)c2cccc(C(C)C)c2)cccc1C(=O)[O-] ZINC000460824130 601046922 /nfs/dbraw/zinc/04/69/22/601046922.db2.gz PJMWZNWBHXHDGD-UHFFFAOYSA-N -1 0 333.409 3.617 20 0 EHADRM CC(C)(C)c1ccccc1S(=O)(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000736298820 601047089 /nfs/dbraw/zinc/04/70/89/601047089.db2.gz DYGDJJWEMRDUCJ-UHFFFAOYSA-N -1 0 348.424 3.875 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)N2CCC3(C2)CCCCC3)cc1 ZINC000833281228 601053503 /nfs/dbraw/zinc/05/35/03/601053503.db2.gz FZWLFZDUINFMMX-UHFFFAOYSA-N -1 0 331.416 3.642 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2ccc(N3CCCCC3)cc2)c1 ZINC000833319570 601056691 /nfs/dbraw/zinc/05/66/91/601056691.db2.gz NSUSPGIMIFMMJE-UHFFFAOYSA-N -1 0 342.370 3.767 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000236965483 601057069 /nfs/dbraw/zinc/05/70/69/601057069.db2.gz FVHXNVMTIWIGLT-IOEYQFCTSA-N -1 0 344.238 3.712 20 0 EHADRM C[C@@H](C(=O)N1CCCC[C@H]1CC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000679394921 601057151 /nfs/dbraw/zinc/05/71/51/601057151.db2.gz SDVKPHBXLGIJNE-PWSUYJOCSA-N -1 0 344.238 3.953 20 0 EHADRM CC(C)c1cc(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])nn1C ZINC000827123757 601057640 /nfs/dbraw/zinc/05/76/40/601057640.db2.gz CHSHMNLUKTZVJH-UHFFFAOYSA-N -1 0 329.400 3.617 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(Oc3ccccc3)ccn2)cc1 ZINC000500615117 601058106 /nfs/dbraw/zinc/05/81/06/601058106.db2.gz DRXYWRGAQXKTFT-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000262396242 601058312 /nfs/dbraw/zinc/05/83/12/601058312.db2.gz JJUXDTVKFKIISO-JTQLQIEISA-N -1 0 332.227 3.809 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)c1ccncc1Cl ZINC000683315018 601066626 /nfs/dbraw/zinc/06/66/26/601066626.db2.gz RQGUIOSFXQZODG-UHFFFAOYSA-N -1 0 346.795 3.578 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)cc1C(=O)[O-] ZINC000237696137 601066657 /nfs/dbraw/zinc/06/66/57/601066657.db2.gz MQYBMYBJEPQJGM-UONOGXRCSA-N -1 0 331.318 3.714 20 0 EHADRM CCCc1sc(C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cc1CC ZINC000324712747 601068062 /nfs/dbraw/zinc/06/80/62/601068062.db2.gz DMNJCQBSEVUIDW-OAHLLOKOSA-N -1 0 345.464 3.861 20 0 EHADRM Cc1ccoc1C(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000832984734 601069833 /nfs/dbraw/zinc/06/98/33/601069833.db2.gz FSCPRPYVULXFDQ-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM CC[C@@H](CC(=O)NC[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000262499063 601072589 /nfs/dbraw/zinc/07/25/89/601072589.db2.gz NGPJRFMLLZUFQX-MAUKXSAKSA-N -1 0 325.408 3.555 20 0 EHADRM Cc1cc(NC(=O)NCc2ccc(C(=O)[O-])cc2)ccc1OC(C)C ZINC000832895478 601077235 /nfs/dbraw/zinc/07/72/35/601077235.db2.gz XNSYQFCAAHZWOP-UHFFFAOYSA-N -1 0 342.395 3.802 20 0 EHADRM CCSc1ccccc1C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000830174295 601077570 /nfs/dbraw/zinc/07/75/70/601077570.db2.gz GSHBYLBSQXMQAA-OAHLLOKOSA-N -1 0 334.368 3.920 20 0 EHADRM C[C@H](C(=O)Nc1cc(C(=O)[O-])ccn1)c1ccc(Cl)c(Cl)c1 ZINC000826009091 601083471 /nfs/dbraw/zinc/08/34/71/601083471.db2.gz RNDSOUALOKYQQO-QMMMGPOBSA-N -1 0 339.178 3.829 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)CCc1cccs1 ZINC000621580883 601085072 /nfs/dbraw/zinc/08/50/72/601085072.db2.gz BVUROWCBEJABDA-GDBMZVCRSA-N -1 0 335.469 3.563 20 0 EHADRM Cc1ccc(C(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])cc1F ZINC000832912101 601085459 /nfs/dbraw/zinc/08/54/59/601085459.db2.gz HKXDYNWZRLYZHC-WBVHZDCISA-N -1 0 333.403 3.630 20 0 EHADRM Cc1c(Cl)c(C(=O)[O-])nn1CN1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000738290587 601091068 /nfs/dbraw/zinc/09/10/68/601091068.db2.gz RFPNZWLJPQERGB-SWLSCSKDSA-N -1 0 347.846 3.626 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)c1cc2ccsc2[nH]1 ZINC000833178906 601094911 /nfs/dbraw/zinc/09/49/11/601094911.db2.gz KNBTXNUULUSSSN-ZFWWWQNUSA-N -1 0 346.452 3.725 20 0 EHADRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)c1csc(C2CC2)n1 ZINC000833181008 601094983 /nfs/dbraw/zinc/09/49/83/601094983.db2.gz YLMKMHFCCBYQHL-DZGCQCFKSA-N -1 0 348.468 3.516 20 0 EHADRM Cc1nc(COc2ccc(C(=O)[O-])cc2Br)sc1C ZINC000094966930 601098364 /nfs/dbraw/zinc/09/83/64/601098364.db2.gz KDEQSMUQSBHFRI-UHFFFAOYSA-N -1 0 342.214 3.800 20 0 EHADRM CCC/C=C/C(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000829266276 601109185 /nfs/dbraw/zinc/10/91/85/601109185.db2.gz IDLCYHPEGCGNOE-XBXARRHUSA-N -1 0 331.393 3.908 20 0 EHADRM O=C([O-])[C@@H](OC(=O)CCc1ccc(Cl)s1)c1ccccc1F ZINC000833103029 601112892 /nfs/dbraw/zinc/11/28/92/601112892.db2.gz ZMHDKHUTPVYLDF-AWEZNQCLSA-N -1 0 342.775 3.842 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1Cc2ccccc2[C@@H]1C ZINC000832918610 601117527 /nfs/dbraw/zinc/11/75/27/601117527.db2.gz WSBAVLADUVGFHK-KBPBESRZSA-N -1 0 338.407 3.597 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)OCc1cc(Cl)ccc1Cl ZINC000826806454 601120737 /nfs/dbraw/zinc/12/07/37/601120737.db2.gz GOUDLXIJPPYIJN-GFCCVEGCSA-N -1 0 334.199 3.719 20 0 EHADRM Cc1cnc([C@@H](C)NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)s1 ZINC000317530229 601131202 /nfs/dbraw/zinc/13/12/02/601131202.db2.gz JDHSBIPMTWJVQL-MRVPVSSYSA-N -1 0 339.804 3.686 20 0 EHADRM CN(Cc1cc2ccccc2o1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000830811163 601132888 /nfs/dbraw/zinc/13/28/88/601132888.db2.gz PRRJJFVRFPNJJN-UHFFFAOYSA-N -1 0 342.326 3.934 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)NCc1ccc(C(=O)[O-])o1 ZINC000391693433 601135692 /nfs/dbraw/zinc/13/56/92/601135692.db2.gz PQNKVNQXTRVOJQ-UHFFFAOYSA-N -1 0 342.273 3.627 20 0 EHADRM Cc1c(C(=O)Nc2ccc(CCC(=O)[O-])cc2)cnc2ccccc12 ZINC000431506068 601137802 /nfs/dbraw/zinc/13/78/02/601137802.db2.gz LRXADEKHVFZDSA-UHFFFAOYSA-N -1 0 334.375 3.813 20 0 EHADRM C[C@@H](CC(=O)N(CC(=O)[O-])c1cccc(F)c1)c1ccc(F)cc1 ZINC000827218120 601140862 /nfs/dbraw/zinc/14/08/62/601140862.db2.gz NQVRZRDIDBLDGU-LBPRGKRZSA-N -1 0 333.334 3.576 20 0 EHADRM Cc1ccc(NC(=O)N(C)Cc2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC000832944888 601143367 /nfs/dbraw/zinc/14/33/67/601143367.db2.gz ORIWAUZSISBYBX-UHFFFAOYSA-N -1 0 334.322 3.635 20 0 EHADRM O=C([O-])CN(C(=O)CCc1cccc(Cl)c1)c1cccc(F)c1 ZINC000833244675 601145225 /nfs/dbraw/zinc/14/52/25/601145225.db2.gz GEDXUGOFDDJOJD-UHFFFAOYSA-N -1 0 335.762 3.530 20 0 EHADRM Cc1nc(NC(=O)c2cccc(C(F)(F)F)c2F)sc1C(=O)[O-] ZINC000833002016 601148190 /nfs/dbraw/zinc/14/81/90/601148190.db2.gz INJJHCVEKNKRQR-UHFFFAOYSA-N -1 0 348.277 3.560 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCCc3cc(Cl)cc(F)c32)C1 ZINC000833184382 601155942 /nfs/dbraw/zinc/15/59/42/601155942.db2.gz GBTHSRJODBCRKG-VXGBXAGGSA-N -1 0 339.794 3.649 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)OCc2ccc(Cl)c3cccnc23)C1 ZINC000833189261 601176890 /nfs/dbraw/zinc/17/68/90/601176890.db2.gz QWCMBNNOQWRHPW-NEPJUHHUSA-N -1 0 347.798 3.822 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)OCc2ccc(OC(F)(F)F)cc2)C1 ZINC000833185064 601180044 /nfs/dbraw/zinc/18/00/44/601180044.db2.gz BDLRFEIZKCCEPE-VXGBXAGGSA-N -1 0 346.301 3.519 20 0 EHADRM CC(C)(NC(=O)c1ccc(Oc2ccccc2Cl)cc1)C(=O)[O-] ZINC000826630896 601180117 /nfs/dbraw/zinc/18/01/17/601180117.db2.gz YXYUEJRVDXTNQI-UHFFFAOYSA-N -1 0 333.771 3.725 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)OCc2cc(Cl)cc3cccnc32)C1 ZINC000833188452 601180712 /nfs/dbraw/zinc/18/07/12/601180712.db2.gz NCYZEQMAUYLDDR-OLZOCXBDSA-N -1 0 347.798 3.822 20 0 EHADRM C[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)[C@@H](C)c1ccccc1 ZINC000237578415 601184137 /nfs/dbraw/zinc/18/41/37/601184137.db2.gz NZSRLICCMSYVDR-HUUCEWRRSA-N -1 0 325.408 3.626 20 0 EHADRM O=C([O-])CC1(NC(=O)CCCc2c[nH]c3ccccc23)CCCCC1 ZINC000327280715 601184151 /nfs/dbraw/zinc/18/41/51/601184151.db2.gz UMPRJPVUGOWJRZ-UHFFFAOYSA-N -1 0 342.439 3.784 20 0 EHADRM CCCC[C@H](Cc1ccccn1)OC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000829287123 601239206 /nfs/dbraw/zinc/23/92/06/601239206.db2.gz YMYWOCCUNLLGTA-YQQAZPJKSA-N -1 0 333.428 3.617 20 0 EHADRM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccnc(C(=O)[O-])c1 ZINC000237030107 601246741 /nfs/dbraw/zinc/24/67/41/601246741.db2.gz UDJWJLOHBGSARY-FUHWJXTLSA-N -1 0 338.407 3.578 20 0 EHADRM C[C@H](c1ccccc1)N(C)C(=O)CNc1cc(Cl)cc(C(=O)[O-])c1 ZINC000827939968 601250144 /nfs/dbraw/zinc/25/01/44/601250144.db2.gz BIEHCTHFLYDSFR-GFCCVEGCSA-N -1 0 346.814 3.670 20 0 EHADRM CC[C@](C)(NC(=O)c1cc(C2CC2)nc2ccc(Cl)cc21)C(=O)[O-] ZINC000431443319 601257405 /nfs/dbraw/zinc/25/74/05/601257405.db2.gz DNLXRISUVNDJSK-SFHVURJKSA-N -1 0 346.814 3.749 20 0 EHADRM CC(C)[C@@H](C(=O)Nc1ncc(C(=O)[O-])s1)c1cccc(Cl)c1 ZINC000826676796 601275800 /nfs/dbraw/zinc/27/58/00/601275800.db2.gz KPOXTCYJCUSIEW-GFCCVEGCSA-N -1 0 338.816 3.873 20 0 EHADRM CCC1CCC(NC(=O)c2cccc(C(F)F)c2)(C(=O)[O-])CC1 ZINC000263550263 601276618 /nfs/dbraw/zinc/27/66/18/601276618.db2.gz WCAQDENCALYAEL-UHFFFAOYSA-N -1 0 325.355 3.778 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1cccc2[nH]ccc21 ZINC000236637820 601279195 /nfs/dbraw/zinc/27/91/95/601279195.db2.gz LFVSINSMMSCGHG-UHFFFAOYSA-N -1 0 338.363 3.906 20 0 EHADRM Cc1c2ccccc2[nH]c(=O)c1C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000832851602 601280220 /nfs/dbraw/zinc/28/02/20/601280220.db2.gz VCBJLVITNZVAHQ-UHFFFAOYSA-N -1 0 337.335 3.591 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000776588668 601280497 /nfs/dbraw/zinc/28/04/97/601280497.db2.gz NHZBDZASWVIRHB-FYWRMAATSA-N -1 0 341.382 3.733 20 0 EHADRM CC[C@@](NC(=O)C/C=C\c1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC000485378914 601283709 /nfs/dbraw/zinc/28/37/09/601283709.db2.gz DYTDXWZVNVEMCC-HCZHMGAMSA-N -1 0 341.382 3.735 20 0 EHADRM Cc1ncoc1C(=O)Nc1ccc(Oc2ccccc2)cc1C(=O)[O-] ZINC000833010351 601284027 /nfs/dbraw/zinc/28/40/27/601284027.db2.gz PUWSSFUDUXDROR-UHFFFAOYSA-N -1 0 338.319 3.726 20 0 EHADRM C[C@H](CN(C)C(=O)c1cc(C2CC2)nc2ccc(Cl)cc21)C(=O)[O-] ZINC000190940540 601284052 /nfs/dbraw/zinc/28/40/52/601284052.db2.gz DCDRRXDOKRJUDD-SNVBAGLBSA-N -1 0 346.814 3.558 20 0 EHADRM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)c1ccnc(C(=O)[O-])c1 ZINC000237626202 601289523 /nfs/dbraw/zinc/28/95/23/601289523.db2.gz SFLWBRYEMSBJBA-AWEZNQCLSA-N -1 0 338.407 3.783 20 0 EHADRM Cc1ccc(NC(=O)c2ccnc(C(=O)[O-])c2)cc1OCCC(C)C ZINC000832948121 601289877 /nfs/dbraw/zinc/28/98/77/601289877.db2.gz PWCVVYGBURUIRD-UHFFFAOYSA-N -1 0 342.395 3.765 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)c1ccnc(C(=O)[O-])c1 ZINC000653293896 601291695 /nfs/dbraw/zinc/29/16/95/601291695.db2.gz RRXKWBXSAGMESI-QGZVFWFLSA-N -1 0 340.423 3.572 20 0 EHADRM CCC1CCC(NC(=O)c2[nH]c3ccccc3c2Cl)(C(=O)[O-])CC1 ZINC000346002414 601294580 /nfs/dbraw/zinc/29/45/80/601294580.db2.gz AQBLGMQSKKXOQR-UHFFFAOYSA-N -1 0 348.830 3.975 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)CCCc1ccccc1)c1ccccc1 ZINC000237736392 601298773 /nfs/dbraw/zinc/29/87/73/601298773.db2.gz GJZQYONYBDCCCC-BEFAXECRSA-N -1 0 325.408 3.588 20 0 EHADRM Cc1ccc(NCC(=O)N[C@H](C)c2ccccc2Cl)cc1C(=O)[O-] ZINC000832952214 601303021 /nfs/dbraw/zinc/30/30/21/601303021.db2.gz UATPITDUUUTAMJ-GFCCVEGCSA-N -1 0 346.814 3.636 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cc1F ZINC000832947894 601309087 /nfs/dbraw/zinc/30/90/87/601309087.db2.gz XNWKSPKMUXFPKJ-HNNXBMFYSA-N -1 0 334.322 3.611 20 0 EHADRM Cn1cc(NC(=O)CCc2ccc(Cl)cc2Cl)cc1C(=O)[O-] ZINC000833045697 601312325 /nfs/dbraw/zinc/31/23/25/601312325.db2.gz QKZQKJQCBUFZOU-UHFFFAOYSA-N -1 0 341.194 3.601 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000827049082 601332519 /nfs/dbraw/zinc/33/25/19/601332519.db2.gz UTEWWFRVPHHBGT-CZUORRHYSA-N -1 0 346.427 3.968 20 0 EHADRM Cc1cccc([C@@H](NC(=O)NC2CCN(C(=O)[O-])CC2)C(C)(C)C)c1 ZINC000832964552 601333866 /nfs/dbraw/zinc/33/38/66/601333866.db2.gz JOABRRJDDPCADA-MRXNPFEDSA-N -1 0 347.459 3.524 20 0 EHADRM Cc1cc(NC(=O)NC[C@@H](c2cccnc2)C(C)C)ccc1C(=O)[O-] ZINC000832895358 601337180 /nfs/dbraw/zinc/33/71/80/601337180.db2.gz SWUCIGGTFKQKCK-QGZVFWFLSA-N -1 0 341.411 3.650 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NC[C@H]2SCCc3ccccc32)cc1 ZINC000833139793 601337447 /nfs/dbraw/zinc/33/74/47/601337447.db2.gz NFGVWFJOFNEUAE-MRXNPFEDSA-N -1 0 342.420 3.537 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)C/C=C/c1ccc(F)cc1 ZINC000766841124 601350288 /nfs/dbraw/zinc/35/02/88/601350288.db2.gz PRKYSHRLDRLTCP-OWOJBTEDSA-N -1 0 325.339 3.517 20 0 EHADRM CO[C@@H](C)c1nc(CSCc2cc(C(=O)[O-])c(C)o2)cs1 ZINC000831505273 601356363 /nfs/dbraw/zinc/35/63/63/601356363.db2.gz LDDIYFZHIGNZLS-VIFPVBQESA-N -1 0 327.427 3.884 20 0 EHADRM O=C([O-])c1cccc(OCc2noc(-c3cccc(Cl)c3)n2)c1 ZINC000833332263 601365708 /nfs/dbraw/zinc/36/57/08/601365708.db2.gz JVIVPRAHAYUBMO-UHFFFAOYSA-N -1 0 330.727 3.667 20 0 EHADRM O=C([O-])[C@@]1(F)CCN(C(=S)Nc2ccccc2-c2ccccc2)C1 ZINC000833176049 601366846 /nfs/dbraw/zinc/36/68/46/601366846.db2.gz WCXDHYVSOIPPHP-GOSISDBHSA-N -1 0 344.411 3.549 20 0 EHADRM CSc1cccc(NC(=O)COc2ccccc2NC(=O)[O-])c1 ZINC000832785005 601369301 /nfs/dbraw/zinc/36/93/01/601369301.db2.gz DOXMXTYOPTZENC-UHFFFAOYSA-N -1 0 332.381 3.516 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=S)Nc1cc(OC)ccc1Cl ZINC000828796941 601378263 /nfs/dbraw/zinc/37/82/63/601378263.db2.gz SPAXHJLBCNXJLG-UHFFFAOYSA-N -1 0 344.864 3.669 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=S)Nc1cccc(Cl)c1C ZINC000828796434 601378307 /nfs/dbraw/zinc/37/83/07/601378307.db2.gz HCLLZMAKBFBRCV-UHFFFAOYSA-N -1 0 328.865 3.968 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000321552369 601387041 /nfs/dbraw/zinc/38/70/41/601387041.db2.gz JUMZDHDMUCZXLN-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM C[C@H](C(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccc(Cl)s1 ZINC000190489137 601392518 /nfs/dbraw/zinc/39/25/18/601392518.db2.gz YXNKRJFVBNYXKW-JTQLQIEISA-N -1 0 337.828 3.562 20 0 EHADRM C[C@H](CC(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-])c1ccccc1F ZINC000237402864 601394237 /nfs/dbraw/zinc/39/42/37/601394237.db2.gz QPJZCABKRFBCFZ-PJIJBLCYSA-N -1 0 343.398 3.898 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1 ZINC000358614449 601394917 /nfs/dbraw/zinc/39/49/17/601394917.db2.gz YIMPBFWAQBAKLP-NZPGVSJUSA-N -1 0 345.439 3.722 20 0 EHADRM C[C@@H](C(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccc(Cl)s1 ZINC000621558572 601402787 /nfs/dbraw/zinc/40/27/87/601402787.db2.gz JQRZJZWCBOTCTL-SECBINFHSA-N -1 0 335.812 3.746 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000828757933 601404461 /nfs/dbraw/zinc/40/44/61/601404461.db2.gz FCGCLEBOEPOAQD-DYVFJYSZSA-N -1 0 339.391 3.693 20 0 EHADRM Cc1ccc(CNC(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000832931703 601408618 /nfs/dbraw/zinc/40/86/18/601408618.db2.gz KIRDYTPYFLINRS-INIZCTEOSA-N -1 0 346.814 3.664 20 0 EHADRM C/C(=C/COC(=O)c1cnc(-c2ccccc2Cl)s1)C(=O)[O-] ZINC000825786995 601421683 /nfs/dbraw/zinc/42/16/83/601421683.db2.gz SMLSWQQWIPNAPC-TWGQIWQCSA-N -1 0 337.784 3.651 20 0 EHADRM CC[C@H](CNC(=O)c1ccc(NC(=O)[O-])cc1)Oc1ccccc1C ZINC000828884713 601427843 /nfs/dbraw/zinc/42/78/43/601427843.db2.gz ZZRDCKYTRWCNMQ-MRXNPFEDSA-N -1 0 342.395 3.672 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC000828759184 601445916 /nfs/dbraw/zinc/44/59/16/601445916.db2.gz RCRFFDGCOMNQII-CYBMUJFWSA-N -1 0 327.380 3.839 20 0 EHADRM COc1ccc([C@H](C)CC(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC000832220934 601446173 /nfs/dbraw/zinc/44/61/73/601446173.db2.gz NBEJAQDFJFZFJY-CYBMUJFWSA-N -1 0 327.380 3.550 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)c2ccc(F)c(F)c2F)c1 ZINC000317178472 601455692 /nfs/dbraw/zinc/45/56/92/601455692.db2.gz GNWHGYUFANMMPN-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000776628946 601460571 /nfs/dbraw/zinc/46/05/71/601460571.db2.gz SHKGFXIEFALKJN-SQGPQFPESA-N -1 0 325.408 3.703 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000767052937 601461206 /nfs/dbraw/zinc/46/12/06/601461206.db2.gz WSEPGOUMKSNREH-OAHLLOKOSA-N -1 0 332.227 3.686 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)Cc1c[nH]c2c1cccc2C ZINC000830389323 601467196 /nfs/dbraw/zinc/46/71/96/601467196.db2.gz MNXJKDGRFSXTIK-UHFFFAOYSA-N -1 0 341.363 3.616 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cccc2cnccc21)c1cccc(Cl)c1 ZINC000833352042 601468022 /nfs/dbraw/zinc/46/80/22/601468022.db2.gz XRIPTNVUIBPPHB-INIZCTEOSA-N -1 0 341.750 3.871 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1cccc2ccccc21 ZINC000326822711 601469737 /nfs/dbraw/zinc/46/97/37/601469737.db2.gz YMYKFTVRZJRPAT-LJQANCHMSA-N -1 0 331.371 3.664 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000237005828 601470520 /nfs/dbraw/zinc/47/05/20/601470520.db2.gz IOGZNBXWERELJH-ZBEGNZNMSA-N -1 0 345.361 3.959 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)C[C@H]1CCCc2ccccc21 ZINC000362663976 601472452 /nfs/dbraw/zinc/47/24/52/601472452.db2.gz LMSZTRUUTZLGGW-UTKZUKDTSA-N -1 0 349.430 3.707 20 0 EHADRM CCC1(C(=O)OCc2csc(-c3ccc(C(=O)[O-])cc3)n2)CC1 ZINC000829043863 601472852 /nfs/dbraw/zinc/47/28/52/601472852.db2.gz GTAHOOLBGKUIRQ-UHFFFAOYSA-N -1 0 331.393 3.742 20 0 EHADRM COc1ccc([C@H](C)CC(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000832220715 601474368 /nfs/dbraw/zinc/47/43/68/601474368.db2.gz DIXFESFUIKQFGB-XIKOKIGWSA-N -1 0 346.354 3.697 20 0 EHADRM Cc1cc(COC(=O)[C@H](C)c2ccc(Cl)s2)oc1C(=O)[O-] ZINC000832884598 601475498 /nfs/dbraw/zinc/47/54/98/601475498.db2.gz FCBQFGVELHOFRQ-MRVPVSSYSA-N -1 0 328.773 3.848 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)N(C[C@@H]2CCCO2)C2CCCC2)c1 ZINC000833290383 601479255 /nfs/dbraw/zinc/47/92/55/601479255.db2.gz ZYZRHWHPGPPPEV-INIZCTEOSA-N -1 0 347.415 3.732 20 0 EHADRM CC[C@H](C)Oc1ccc(NC(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000656602667 601485556 /nfs/dbraw/zinc/48/55/56/601485556.db2.gz USEDKABKGCDSAI-AWEZNQCLSA-N -1 0 348.443 3.973 20 0 EHADRM O=C([O-])C1CCN(C(=O)Nc2ccc(CCC(F)(F)F)cc2)CC1 ZINC000263023260 601487543 /nfs/dbraw/zinc/48/75/43/601487543.db2.gz JNHDZKVACXHMNI-UHFFFAOYSA-N -1 0 344.333 3.510 20 0 EHADRM CCCCC[C@H](NC(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000829327150 601497481 /nfs/dbraw/zinc/49/74/81/601497481.db2.gz VWYWHZGMRXUYOQ-XIRDDKMYSA-N -1 0 332.444 3.670 20 0 EHADRM C[C@H]1CC/C(=C\C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC000828200271 601498513 /nfs/dbraw/zinc/49/85/13/601498513.db2.gz DRBPEEURMDZWIW-UQRISPGASA-N -1 0 328.412 3.670 20 0 EHADRM Cc1cc(Cl)ccc1NC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000237606844 601525017 /nfs/dbraw/zinc/52/50/17/601525017.db2.gz YOGXWVYOGZFXGW-UHFFFAOYSA-N -1 0 347.798 3.981 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])C1CC1)c1cccc(C(F)(F)F)c1 ZINC000767076027 601527796 /nfs/dbraw/zinc/52/77/96/601527796.db2.gz KVPFPQZYCPESJP-HZMBPMFUSA-N -1 0 343.345 3.569 20 0 EHADRM Cc1cccc(C2(C(=O)N[C@@H](CC(=O)[O-])C3CC3)CCCCC2)c1 ZINC000832965244 601530140 /nfs/dbraw/zinc/53/01/40/601530140.db2.gz HDNYKTBIBLKQME-KRWDZBQOSA-N -1 0 329.440 3.566 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)s1 ZINC000777363959 601535394 /nfs/dbraw/zinc/53/53/94/601535394.db2.gz RBQZBXOJYWUHOU-CYBMUJFWSA-N -1 0 347.436 3.628 20 0 EHADRM Cc1ccc(Oc2ccccc2)c(NC(=S)NCCCC(=O)[O-])c1 ZINC000832953236 601557984 /nfs/dbraw/zinc/55/79/84/601557984.db2.gz DDODUWFKIWPHEC-UHFFFAOYSA-N -1 0 344.436 3.939 20 0 EHADRM CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCCC[C@@H]1C(=O)[O-] ZINC000158489722 601575190 /nfs/dbraw/zinc/57/51/90/601575190.db2.gz WJSHAQXTPQKEMW-QGZVFWFLSA-N -1 0 346.471 3.811 20 0 EHADRM O=C([O-])c1ccc(CNCc2csc(-c3ccc(F)cc3)n2)cc1 ZINC000499613473 601581640 /nfs/dbraw/zinc/58/16/40/601581640.db2.gz DHCGOYMPWKKAPF-UHFFFAOYSA-N -1 0 342.395 3.937 20 0 EHADRM O=C([O-])[C@@H](NC(=O)C[C@H]1CCc2ccccc21)c1ccc(Cl)cc1 ZINC000678982360 601585898 /nfs/dbraw/zinc/58/58/98/601585898.db2.gz ASUMHAMSSQWIQG-KDOFPFPSSA-N -1 0 343.810 3.702 20 0 EHADRM O=C([O-])[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1 ZINC000833167570 601586331 /nfs/dbraw/zinc/58/63/31/601586331.db2.gz NWRXEMMQQPPRNY-RTLPCREESA-N -1 0 347.842 3.798 20 0 EHADRM CSc1ccccc1C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000507340115 601587064 /nfs/dbraw/zinc/58/70/64/601587064.db2.gz LIUBYVYXLMWAJZ-AWEZNQCLSA-N -1 0 335.812 3.618 20 0 EHADRM Cc1nc(Cl)sc1C(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC000833000244 601592060 /nfs/dbraw/zinc/59/20/60/601592060.db2.gz FMVNRVATAGOXKD-UHFFFAOYSA-N -1 0 332.164 3.676 20 0 EHADRM Cc1cc(C(=O)CN2CCC(CC(=O)[O-])CC2)c(C)n1CCC(C)C ZINC000832858412 601594175 /nfs/dbraw/zinc/59/41/75/601594175.db2.gz JDQAXJIFLHTTHN-UHFFFAOYSA-N -1 0 348.487 3.520 20 0 EHADRM Cc1c(C(=O)NCC2(C(=O)[O-])CCCC2)sc2cccc(F)c12 ZINC000321646332 601597574 /nfs/dbraw/zinc/59/75/74/601597574.db2.gz ZDHCDRKWXSMIID-UHFFFAOYSA-N -1 0 335.400 3.724 20 0 EHADRM C[C@H](CSc1ccc(F)cc1)C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000827582122 601598986 /nfs/dbraw/zinc/59/89/86/601598986.db2.gz YXVAUGPHKOPATD-GFCCVEGCSA-N -1 0 348.395 3.787 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)OCc2cc3c(cccc3Cl)[nH]2)C1 ZINC000833187024 601599651 /nfs/dbraw/zinc/59/96/51/601599651.db2.gz HZKWUUPRRUEZAL-WDEREUQCSA-N -1 0 335.787 3.756 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CN(CC1CC1)c1ccccc1 ZINC000832916768 601611637 /nfs/dbraw/zinc/61/16/37/601611637.db2.gz RJXGISDPNFEJKG-UHFFFAOYSA-N -1 0 338.407 3.548 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)/C=C\c1ccnc2ccccc12 ZINC000492188854 601613742 /nfs/dbraw/zinc/61/37/42/601613742.db2.gz RRBJMGRXKJZFNN-KTKRTIGZSA-N -1 0 332.359 3.514 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000261856258 601614199 /nfs/dbraw/zinc/61/41/99/601614199.db2.gz KAYULZSNGKKOSP-NEPJUHHUSA-N -1 0 329.318 3.621 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1cc2ccc(F)cc2s1 ZINC000390870628 601615393 /nfs/dbraw/zinc/61/53/93/601615393.db2.gz QLBROLNSPOCNMO-UHFFFAOYSA-N -1 0 329.352 3.920 20 0 EHADRM Cc1cccc(C)c1NC(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832965585 601615378 /nfs/dbraw/zinc/61/53/78/601615378.db2.gz QQHVBUSTAXSANK-WMLDXEAASA-N -1 0 326.396 3.887 20 0 EHADRM O=C([O-])c1ccc(CN[C@H](c2ccccc2)c2ccccn2)cc1F ZINC000833315198 601615719 /nfs/dbraw/zinc/61/57/19/601615719.db2.gz WLYRLBJJVMXXRU-LJQANCHMSA-N -1 0 336.366 3.798 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1ccc(Oc2cccnc2)cc1 ZINC000238098260 601616184 /nfs/dbraw/zinc/61/61/84/601616184.db2.gz XKMXFVJPHDHHDE-UHFFFAOYSA-N -1 0 348.358 3.753 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000486043862 601616858 /nfs/dbraw/zinc/61/68/58/601616858.db2.gz XBBFJPNXBQPYTQ-UHFFFAOYSA-N -1 0 339.391 3.911 20 0 EHADRM C[C@@H](c1ccco1)N(C(=O)Nc1cc(C(=O)[O-])ccc1F)C1CC1 ZINC000827958259 601618368 /nfs/dbraw/zinc/61/83/68/601618368.db2.gz RULPMEFABKZRDL-JTQLQIEISA-N -1 0 332.331 3.874 20 0 EHADRM CCOc1cccc(NC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000830104601 601620549 /nfs/dbraw/zinc/62/05/49/601620549.db2.gz JYVLTTWRNNZQDN-CXAGYDPISA-N -1 0 342.395 3.669 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)Nc1ccc2[nH]ccc2c1)c1ccccc1 ZINC000826038757 601622351 /nfs/dbraw/zinc/62/23/51/601622351.db2.gz HAFQBVRZBIBJIJ-YVEFUNNKSA-N -1 0 337.379 3.751 20 0 EHADRM O=C([O-])c1ccc(CN[C@H](c2ccccc2)C(F)(F)F)cc1F ZINC000833314425 601623822 /nfs/dbraw/zinc/62/38/22/601623822.db2.gz JMIRSHSIJXZEBR-CQSZACIVSA-N -1 0 327.277 3.917 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000830169355 601623877 /nfs/dbraw/zinc/62/38/77/601623877.db2.gz TUWIUZUQQDTWIW-LLVKDONJSA-N -1 0 342.848 3.827 20 0 EHADRM O=C([O-])[C@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000136523479 601629233 /nfs/dbraw/zinc/62/92/33/601629233.db2.gz GHPMMKFOMRMOQC-JTNHKYCSSA-N -1 0 342.222 3.563 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COc1cccc(NC(=O)C2CC2)c1 ZINC000833030788 601636437 /nfs/dbraw/zinc/63/64/37/601636437.db2.gz BVOHHWGFCLZGJS-UHFFFAOYSA-N -1 0 331.393 3.682 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc(SCc2ccccc2)cc1)C1CC1 ZINC000238088699 601637434 /nfs/dbraw/zinc/63/74/34/601637434.db2.gz PWIWMOOAHFSBJM-UHFFFAOYSA-N -1 0 341.432 3.668 20 0 EHADRM CC(C)c1ccc(CS(=O)(=O)CCCC(=O)[O-])c(C(C)C)c1 ZINC000827125011 601637872 /nfs/dbraw/zinc/63/78/72/601637872.db2.gz WGZPRUPTKJCXKH-UHFFFAOYSA-N -1 0 326.458 3.713 20 0 EHADRM CCCCC[C@@H](NC(=O)Cc1c[nH]c2ccc(Cl)cc12)C(=O)[O-] ZINC000829321589 601640419 /nfs/dbraw/zinc/64/04/19/601640419.db2.gz SNPZYDFUVJVVLE-OAHLLOKOSA-N -1 0 336.819 3.514 20 0 EHADRM O=C([O-])c1sccc1NC(=O)CCCc1ccc(F)c(F)c1 ZINC000833097975 601653464 /nfs/dbraw/zinc/65/34/64/601653464.db2.gz AULVODRLUISCJZ-UHFFFAOYSA-N -1 0 325.336 3.686 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cnc(Cc3ccccc3)s2)s1 ZINC000833320630 601655140 /nfs/dbraw/zinc/65/51/40/601655140.db2.gz WIRFQYKQMQMDLY-UHFFFAOYSA-N -1 0 344.417 3.746 20 0 EHADRM CCO[C@H]1C[C@H](N(C)C(=O)c2cccc(NC(=O)[O-])c2)C1(CC)CC ZINC000829917828 601663009 /nfs/dbraw/zinc/66/30/09/601663009.db2.gz JGZIVTZNJPELLS-HOTGVXAUSA-N -1 0 348.443 3.832 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)c2cc(F)cc(Cl)c2)cc1 ZINC000833238783 601667676 /nfs/dbraw/zinc/66/76/76/601667676.db2.gz JHGATQKTPWJJLW-UHFFFAOYSA-N -1 0 337.734 3.585 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)Cc1c[nH]c2ncccc12 ZINC000190797478 601669379 /nfs/dbraw/zinc/66/93/79/601669379.db2.gz BOHWEELBQMQTDZ-UHFFFAOYSA-N -1 0 345.358 3.596 20 0 EHADRM CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(C(=O)[O-])s2)C1(CC)CC ZINC000236980515 601673391 /nfs/dbraw/zinc/67/33/91/601673391.db2.gz XRNYOUWFVAURAM-KBPBESRZSA-N -1 0 339.457 3.502 20 0 EHADRM COC(=O)c1ccc(CSCc2ccc(C(=O)[O-])cc2)cc1F ZINC000831385336 601674364 /nfs/dbraw/zinc/67/43/64/601674364.db2.gz RDWFDSGQCSMBTQ-UHFFFAOYSA-N -1 0 334.368 3.744 20 0 EHADRM COc1c(F)ccc(F)c1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000431512587 601681059 /nfs/dbraw/zinc/68/10/59/601681059.db2.gz GZFJLXGHVRDMPV-UHFFFAOYSA-N -1 0 349.333 3.588 20 0 EHADRM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000180131374 601689485 /nfs/dbraw/zinc/68/94/85/601689485.db2.gz MZPZDIXFMQQLLZ-JYJNAYRXSA-N -1 0 347.455 3.680 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000833289216 601691131 /nfs/dbraw/zinc/69/11/31/601691131.db2.gz GTOTXXUKOXZSHW-AWEZNQCLSA-N -1 0 328.343 3.545 20 0 EHADRM Cc1c(NC(=O)N[C@@H](C)c2ccc(F)cc2F)cccc1C(=O)[O-] ZINC000832855991 601693461 /nfs/dbraw/zinc/69/34/61/601693461.db2.gz LBDHDFNAOTULJB-JTQLQIEISA-N -1 0 334.322 3.854 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccc(Cl)cc1 ZINC000345883740 601697741 /nfs/dbraw/zinc/69/77/41/601697741.db2.gz SANIBEFEDBAJLE-HNNXBMFYSA-N -1 0 346.745 3.516 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1ccc2ccccc2n1 ZINC000833033457 601704585 /nfs/dbraw/zinc/70/45/85/601704585.db2.gz VURJWEUCSMNPJY-UHFFFAOYSA-N -1 0 327.361 3.660 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1ccc(Cl)cc1F ZINC000833033467 601713571 /nfs/dbraw/zinc/71/35/71/601713571.db2.gz VYKDUYOFGNLVIK-UHFFFAOYSA-N -1 0 328.748 3.904 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3C[C@@H](C)[C@H](C(=O)[O-])C3)c(F)c2)cc1 ZINC000262858806 601716469 /nfs/dbraw/zinc/71/64/69/601716469.db2.gz INFVXAQDCZSKKX-CXAGYDPISA-N -1 0 341.382 3.594 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)CSc1ccc(F)cc1 ZINC000833030617 601718789 /nfs/dbraw/zinc/71/87/89/601718789.db2.gz BFOKPQDWMRVNII-UHFFFAOYSA-N -1 0 340.397 3.729 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1F ZINC000833313885 601723930 /nfs/dbraw/zinc/72/39/30/601723930.db2.gz FOFUHNCATICHEO-WDEREUQCSA-N -1 0 348.292 3.936 20 0 EHADRM COc1ccc(C(=O)OCc2ccc(C(=O)[O-])c(F)c2)c(Cl)c1 ZINC000832212473 601728775 /nfs/dbraw/zinc/72/87/75/601728775.db2.gz GWXOVKHCFOGBHW-UHFFFAOYSA-N -1 0 338.718 3.543 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)C[C@H]1OCCc2ccccc21 ZINC000833032333 601730222 /nfs/dbraw/zinc/73/02/22/601730222.db2.gz ZWGXSTOYYMZJAB-OAHLLOKOSA-N -1 0 346.404 3.502 20 0 EHADRM CN(CCCC(=O)N[C@H](c1ccccc1F)C1CCCC1)C(=O)[O-] ZINC000830759358 601739809 /nfs/dbraw/zinc/73/98/09/601739809.db2.gz ZNPLHIAARLTXHK-KRWDZBQOSA-N -1 0 336.407 3.563 20 0 EHADRM CC/C(=C/C(=O)N[C@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000828550848 601742808 /nfs/dbraw/zinc/74/28/08/601742808.db2.gz ZCHJOHOPZCKSTB-SQVRQVGWSA-N -1 0 327.355 3.561 20 0 EHADRM CCC1(C(=O)O[C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)CCCC1 ZINC000829038651 601748274 /nfs/dbraw/zinc/74/82/74/601748274.db2.gz AWVBDZWWJRUABF-ZDUSSCGKSA-N -1 0 347.411 3.534 20 0 EHADRM CC[C@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1F)C(=O)[O-] ZINC000828964939 601753372 /nfs/dbraw/zinc/75/33/72/601753372.db2.gz LOWUINYRTNKMQQ-HNNXBMFYSA-N -1 0 335.762 3.739 20 0 EHADRM Cc1ccc(Cl)c(NC(=S)N2C[C@H](C)[C@H](C(=O)[O-])C2)c1Cl ZINC000832935851 601765233 /nfs/dbraw/zinc/76/52/33/601765233.db2.gz ZRFWBHVEESBMKJ-DTWKUNHWSA-N -1 0 347.267 3.651 20 0 EHADRM Cc1cc(CCCC(=O)NCc2ccc(C(=O)[O-])cc2)c(C)s1 ZINC000237606291 601799752 /nfs/dbraw/zinc/79/97/52/601799752.db2.gz NGMSTTXRMVHYEX-UHFFFAOYSA-N -1 0 331.437 3.702 20 0 EHADRM COc1cccc([C@H](C)CC(=O)N[C@@H](CC(=O)[O-])c2cccs2)c1 ZINC000237324430 601800901 /nfs/dbraw/zinc/80/09/01/601800901.db2.gz WIDNRFQNWLZHOC-DOMZBBRYSA-N -1 0 347.436 3.583 20 0 EHADRM Cc1cc(CCCC(=O)Nc2cccc(OCC(=O)[O-])c2)c(C)s1 ZINC000237608059 601801242 /nfs/dbraw/zinc/80/12/42/601801242.db2.gz XUIFBYSUGBXJSQ-UHFFFAOYSA-N -1 0 347.436 3.790 20 0 EHADRM C[C@H](C(=O)N[C@@H](C(=O)[O-])c1cccs1)c1ccc2ccccc2c1 ZINC000825995053 601802333 /nfs/dbraw/zinc/80/23/33/601802333.db2.gz LNHTUKPMHUZMPB-YVEFUNNKSA-N -1 0 339.416 3.947 20 0 EHADRM CCc1nc(CC(=O)Nc2scc(C3CC3)c2C(=O)[O-])cs1 ZINC000830313464 601809074 /nfs/dbraw/zinc/80/90/74/601809074.db2.gz BCNAHFUAEWBZNB-UHFFFAOYSA-N -1 0 336.438 3.524 20 0 EHADRM O=C([O-])c1sccc1CSc1ncccc1Br ZINC000079421745 601809918 /nfs/dbraw/zinc/80/99/18/601809918.db2.gz KTMPPUUXUOPWES-UHFFFAOYSA-N -1 0 330.228 3.896 20 0 EHADRM C[C@H](C(=O)NC[C@H](C(=O)[O-])c1ccccc1)c1ccc2ccccc2c1 ZINC000826005025 601812927 /nfs/dbraw/zinc/81/29/27/601812927.db2.gz RBDHVBKSMRZMJQ-YWZLYKJASA-N -1 0 347.414 3.928 20 0 EHADRM CCSCc1ccc(C(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000539683923 601814614 /nfs/dbraw/zinc/81/46/14/601814614.db2.gz YTUCKLUSAYKVSF-UHFFFAOYSA-N -1 0 335.469 3.657 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)C(F)(F)c2cccc(Cl)c2)CC1 ZINC000833222602 601818157 /nfs/dbraw/zinc/81/81/57/601818157.db2.gz URCUIMGDWGANAJ-UHFFFAOYSA-N -1 0 345.773 3.535 20 0 EHADRM C/C(=C\C(=O)N1CCC(CCC(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000825717299 601818589 /nfs/dbraw/zinc/81/85/89/601818589.db2.gz WENODTFJDMFJMV-ACCUITESSA-N -1 0 335.831 3.847 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC000562399422 601821676 /nfs/dbraw/zinc/82/16/76/601821676.db2.gz RTSXQGSBDBQIRK-UHFFFAOYSA-N -1 0 349.430 3.975 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)N[C@H]2CCSc3ccccc32)CC1 ZINC000659392894 601823082 /nfs/dbraw/zinc/82/30/82/601823082.db2.gz MVONPRQEFZRLTA-HNNXBMFYSA-N -1 0 348.468 3.510 20 0 EHADRM CC(C)[C@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccccc1 ZINC000659392690 601823728 /nfs/dbraw/zinc/82/37/28/601823728.db2.gz JTQOOTGVJIIGQU-SFHVURJKSA-N -1 0 332.444 3.670 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)N2CCC(CCC(=O)[O-])CC2)c(C)s1 ZINC000321470885 601824157 /nfs/dbraw/zinc/82/41/57/601824157.db2.gz QCNPCKSFWPXWPX-GFCCVEGCSA-N -1 0 338.473 3.712 20 0 EHADRM CC(C)c1ccccc1NC(=O)CNc1cc(F)c(F)cc1C(=O)[O-] ZINC000827134159 601830514 /nfs/dbraw/zinc/83/05/14/601830514.db2.gz HOZDIKPGPSQKEN-UHFFFAOYSA-N -1 0 348.349 3.837 20 0 EHADRM CC[C@@H](NC(=S)NCc1cccc(C(=O)[O-])c1)c1cccs1 ZINC000828982352 601845920 /nfs/dbraw/zinc/84/59/20/601845920.db2.gz CDBQABVJUYSGKN-CYBMUJFWSA-N -1 0 334.466 3.562 20 0 EHADRM C[C@H](SCc1ccc(C(=O)[O-])s1)C(=O)N[C@@H](C)c1ccccc1 ZINC000827907972 601846679 /nfs/dbraw/zinc/84/66/79/601846679.db2.gz DLZLITIOWYZUEH-RYUDHWBXSA-N -1 0 349.477 3.945 20 0 EHADRM C[C@@H]1CCC[C@@H](NC(=O)CSCc2ccc(C(=O)[O-])s2)[C@@H]1C ZINC000828240201 601846709 /nfs/dbraw/zinc/84/67/09/601846709.db2.gz SZULBCRTOGAKTD-NQBHXWOUSA-N -1 0 341.498 3.620 20 0 EHADRM CC1CCC(N(C)C(=O)CSCc2ccc(C(=O)[O-])s2)CC1 ZINC000828226653 601846825 /nfs/dbraw/zinc/84/68/25/601846825.db2.gz WHWLIWXATIYWMJ-UHFFFAOYSA-N -1 0 341.498 3.717 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)C1(Cc2ccccc2)CCC1 ZINC000776602626 601847525 /nfs/dbraw/zinc/84/75/25/601847525.db2.gz VEYKRKSBUBTGEX-UHFFFAOYSA-N -1 0 335.403 3.687 20 0 EHADRM O=C([O-])c1ccc2c(=O)[nH]c(C=Cc3cccc(Cl)c3F)nc2c1 ZINC000833325284 601852439 /nfs/dbraw/zinc/85/24/39/601852439.db2.gz NAHXUNRYPKNIJZ-FNORWQNLSA-N -1 0 344.729 3.997 20 0 EHADRM C[C@@H]1CN(c2nc(Cl)c(C(=O)[O-])s2)C[C@@H](c2ccsc2)O1 ZINC000828500637 601859568 /nfs/dbraw/zinc/85/95/68/601859568.db2.gz VUJFKYZSWHZJAN-APPZFPTMSA-N -1 0 344.845 3.523 20 0 EHADRM O=C([O-])NC1CCC(C(=O)N2CCC(C3CCCCC3)CC2)CC1 ZINC000740551184 601862727 /nfs/dbraw/zinc/86/27/27/601862727.db2.gz NVBTWBJSAPPPEF-UHFFFAOYSA-N -1 0 336.476 3.632 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(c2ncnc3sc(-c4ccccc4)cc32)C1 ZINC000263388390 601864223 /nfs/dbraw/zinc/86/42/23/601864223.db2.gz FNGJDUATCGZGAS-GOSISDBHSA-N -1 0 339.420 3.659 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000828201889 601881565 /nfs/dbraw/zinc/88/15/65/601881565.db2.gz WVNQDBVPWRGOFL-KMFMINBZSA-N -1 0 345.443 3.682 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000830363033 601887388 /nfs/dbraw/zinc/88/73/88/601887388.db2.gz NEBAGCPGOOECSJ-MEDUHNTESA-N -1 0 335.425 3.564 20 0 EHADRM O=C([O-])c1ccc(CSc2nc3cc(F)c(F)cc3[nH]2)s1 ZINC000833316427 601893934 /nfs/dbraw/zinc/89/39/34/601893934.db2.gz GHRSUWATDBUUAC-UHFFFAOYSA-N -1 0 326.349 3.893 20 0 EHADRM O=C([O-])c1ccc(CSc2ncccc2Br)s1 ZINC000079421721 601894936 /nfs/dbraw/zinc/89/49/36/601894936.db2.gz AJEVFWAKVIVWDU-UHFFFAOYSA-N -1 0 330.228 3.896 20 0 EHADRM COc1ccc([C@H](C)CC(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])cc1 ZINC000262035021 601901763 /nfs/dbraw/zinc/90/17/63/601901763.db2.gz BSLZHJHXAHPGLV-OLMNPRSZSA-N -1 0 347.455 3.729 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)CCc1c[nH]c2ccccc12 ZINC000262222486 601909481 /nfs/dbraw/zinc/90/94/81/601909481.db2.gz UCEZYZLAPYRPIS-WMZOPIPTSA-N -1 0 342.439 3.640 20 0 EHADRM CC(C)[C@H](Sc1ccccc1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000531744046 601919556 /nfs/dbraw/zinc/91/95/56/601919556.db2.gz FWXMXBVDHPTCNE-KRWDZBQOSA-N -1 0 343.448 3.818 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2cccc(Oc3ccncc3)c2)c1 ZINC000678933376 601926032 /nfs/dbraw/zinc/92/60/32/601926032.db2.gz VYUCJVVJDXRWCZ-UHFFFAOYSA-N -1 0 348.358 3.502 20 0 EHADRM COc1ccc(N(C)C(=O)CCc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000237243250 601929149 /nfs/dbraw/zinc/92/91/49/601929149.db2.gz XLVZASSDZWHYQM-UHFFFAOYSA-N -1 0 347.798 3.642 20 0 EHADRM Cc1oc(CN(C)C(=O)c2ccc(C(C)(C)C)s2)cc1C(=O)[O-] ZINC000833025733 601958052 /nfs/dbraw/zinc/95/80/52/601958052.db2.gz RGNACHKHSUELRQ-UHFFFAOYSA-N -1 0 335.425 3.917 20 0 EHADRM CCC[C@@H](NC(=O)[O-])C(=O)N1Cc2ccccc2-c2ccccc2C1 ZINC000739312717 601962595 /nfs/dbraw/zinc/96/25/95/601962595.db2.gz PXCRIIRKBMDQBH-GOSISDBHSA-N -1 0 338.407 3.632 20 0 EHADRM CCCn1nc(C)c(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)c1C ZINC000829591275 601973786 /nfs/dbraw/zinc/97/37/86/601973786.db2.gz QYAZBDVOOKLYES-ZDUSSCGKSA-N -1 0 330.384 3.526 20 0 EHADRM CN(C(=O)[O-])[C@H]1CCCN(Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000739587746 601975178 /nfs/dbraw/zinc/97/51/78/601975178.db2.gz NOINJJPQTJCTRI-HNNXBMFYSA-N -1 0 349.818 3.569 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)Nc2ccccc2SC(F)(F)F)C1 ZINC000263474437 601989208 /nfs/dbraw/zinc/98/92/08/601989208.db2.gz IUIPMLMRRCFRLM-ZDUSSCGKSA-N -1 0 348.346 3.627 20 0 EHADRM C[C@H](CN(C)C(=O)Cc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000738911085 601990050 /nfs/dbraw/zinc/99/00/50/601990050.db2.gz YKMNEZAJCUHGPL-CQSZACIVSA-N -1 0 326.396 3.581 20 0 EHADRM CC1(NC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)CCCC1 ZINC000828110856 601990287 /nfs/dbraw/zinc/99/02/87/601990287.db2.gz XRRUQJLNPAEJPT-UHFFFAOYSA-N -1 0 330.306 3.858 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)cn1 ZINC000740711795 601997264 /nfs/dbraw/zinc/99/72/64/601997264.db2.gz DQORZIJFROCWOZ-UHFFFAOYSA-N -1 0 341.298 3.823 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cccnc2SC(F)F)s1 ZINC000833315613 601998900 /nfs/dbraw/zinc/99/89/00/601998900.db2.gz WQMCHARCSZCBMS-UHFFFAOYSA-N -1 0 345.348 3.513 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(OCC3CCCCC3)cc2)C1 ZINC000237657947 602001059 /nfs/dbraw/zinc/00/10/59/602001059.db2.gz REXCDUYXHXTQKG-HXUWFJFHSA-N -1 0 345.439 3.583 20 0 EHADRM C[C@H](NC(=O)[O-])[C@H]1CCCCN1C(=O)c1cc2sccc2s1 ZINC000739000339 602006216 /nfs/dbraw/zinc/00/62/16/602006216.db2.gz HRPCWIKLPFWWTP-VHSXEESVSA-N -1 0 338.454 3.614 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)s1 ZINC000833314872 602008637 /nfs/dbraw/zinc/00/86/37/602008637.db2.gz KWNOHPTYKDJMIB-WDEREUQCSA-N -1 0 338.331 3.571 20 0 EHADRM Cc1nc([C@@H](C)N2CCN(C(=O)[O-])CC2)oc1-c1ccc(Cl)cc1 ZINC000832993930 602015543 /nfs/dbraw/zinc/01/55/43/602015543.db2.gz LFWKYWQZKCDQAD-GFCCVEGCSA-N -1 0 349.818 3.660 20 0 EHADRM CN(C(=O)CC1=CCCCC1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830465453 602020194 /nfs/dbraw/zinc/02/01/94/602020194.db2.gz REWJGYJLXDPHON-MRXNPFEDSA-N -1 0 341.329 3.579 20 0 EHADRM CCCCNc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)CC(=O)[O-] ZINC000829402413 602020331 /nfs/dbraw/zinc/02/03/31/602020331.db2.gz WKAMMXLQCLAKBQ-SNVBAGLBSA-N -1 0 346.349 3.967 20 0 EHADRM Cc1ccccc1NCCC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000740185731 602025977 /nfs/dbraw/zinc/02/59/77/602025977.db2.gz KJDYQZXFLWCCPS-UHFFFAOYSA-N -1 0 331.347 3.665 20 0 EHADRM Cc1ccc2cc(C(=O)Nc3cc(NC(=O)[O-])ccc3F)[nH]c2c1 ZINC000740155147 602027152 /nfs/dbraw/zinc/02/71/52/602027152.db2.gz SFIDIBMWOJFJLF-UHFFFAOYSA-N -1 0 327.315 3.958 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)Cc2cccc3cccnc32)c1 ZINC000740707194 602027622 /nfs/dbraw/zinc/02/76/22/602027622.db2.gz OAIHBXWJVOJNMZ-UHFFFAOYSA-N -1 0 339.326 3.645 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)NCc2cccc(C(=O)[O-])c2)c1 ZINC000327413240 602035223 /nfs/dbraw/zinc/03/52/23/602035223.db2.gz MTQSRCZZXBZNIJ-CYBMUJFWSA-N -1 0 342.395 3.884 20 0 EHADRM CC(C)OCc1ccc(NC(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC000827033526 602035618 /nfs/dbraw/zinc/03/56/18/602035618.db2.gz LWWTVRJZBLROQS-UHFFFAOYSA-N -1 0 342.395 3.632 20 0 EHADRM CC1(C)CCCC[C@@H]1NC(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000828065155 602036864 /nfs/dbraw/zinc/03/68/64/602036864.db2.gz PJUJUYKECZZFHT-HNNXBMFYSA-N -1 0 334.416 3.630 20 0 EHADRM CCOCc1cccc(NC(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])c1 ZINC000830022601 602037146 /nfs/dbraw/zinc/03/71/46/602037146.db2.gz WLOVZCRHSOSYLB-IAGOWNOFSA-N -1 0 348.443 3.768 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)Nc1ccc2[nH]ccc2c1 ZINC000833157142 602038022 /nfs/dbraw/zinc/03/80/22/602038022.db2.gz MKUZHACIGZGKBG-ZBFHGGJFSA-N -1 0 329.400 3.713 20 0 EHADRM CCCCC[C@H](C)NC(=O)N1CCC[C@H]([C@H]2CCCN2C(=O)[O-])C1 ZINC000739330997 602055724 /nfs/dbraw/zinc/05/57/24/602055724.db2.gz OTOPBNYFIXIYML-HRCADAONSA-N -1 0 339.480 3.519 20 0 EHADRM C[C@@H](NC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000263124204 602056044 /nfs/dbraw/zinc/05/60/44/602056044.db2.gz YGIIRGSMMXAJMA-RFAUZJTJSA-N -1 0 345.226 3.561 20 0 EHADRM O=C(/C=C\C1CC1)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC000833092315 602063049 /nfs/dbraw/zinc/06/30/49/602063049.db2.gz CIKGBYAFIVLJHT-FLIBITNWSA-N -1 0 337.375 3.869 20 0 EHADRM O=C([O-])c1ccc(OCc2ccccc2)c(NC(=O)C2CC=CC2)c1 ZINC000833322881 602063678 /nfs/dbraw/zinc/06/36/78/602063678.db2.gz WLFBRXPSDBLUPR-UHFFFAOYSA-N -1 0 337.375 3.869 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000261911653 602068769 /nfs/dbraw/zinc/06/87/69/602068769.db2.gz QHGHRAIDDYDBPH-VXGBXAGGSA-N -1 0 329.318 3.621 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)c1 ZINC000345777748 602069293 /nfs/dbraw/zinc/06/92/93/602069293.db2.gz MNCCNTLKCOGHAW-JKSUJKDBSA-N -1 0 329.783 3.709 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2ccc(Oc3ccccc3)nc2)c1 ZINC000428091931 602069396 /nfs/dbraw/zinc/06/93/96/602069396.db2.gz ORIFYJYFYUUNHO-UHFFFAOYSA-N -1 0 348.358 3.753 20 0 EHADRM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NCCCCCCCC(=O)[O-] ZINC000828516867 602069920 /nfs/dbraw/zinc/06/99/20/602069920.db2.gz VRTXQNNIJGRJMU-RDTXWAMCSA-N -1 0 332.444 3.644 20 0 EHADRM CC(C)[C@H](NC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccccc1Cl ZINC000263200158 602070087 /nfs/dbraw/zinc/07/00/87/602070087.db2.gz HJPHFSGVGAMDCS-WMLDXEAASA-N -1 0 338.835 3.543 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)c1 ZINC000263177859 602073726 /nfs/dbraw/zinc/07/37/26/602073726.db2.gz UPFABMNRJANOEA-UHFFFAOYSA-N -1 0 341.382 3.903 20 0 EHADRM Cc1noc(C)c1C(=O)O[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000833019297 602081167 /nfs/dbraw/zinc/08/11/67/602081167.db2.gz JAYYLFKYLOKMFU-LBPRGKRZSA-N -1 0 344.150 3.581 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000827273825 602083697 /nfs/dbraw/zinc/08/36/97/602083697.db2.gz UVJGJOFUYVYVHC-BFUOFWGJSA-N -1 0 337.375 3.749 20 0 EHADRM Cc1ncsc1C(=O)O[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000833009808 602083866 /nfs/dbraw/zinc/08/38/66/602083866.db2.gz CCPIXWGMZSVDGD-SNVBAGLBSA-N -1 0 346.191 3.741 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Nc2ccc(OC(F)F)cc2)c1 ZINC000325695871 602085771 /nfs/dbraw/zinc/08/57/71/602085771.db2.gz JRBAYSVKXFKEOM-UHFFFAOYSA-N -1 0 336.294 3.559 20 0 EHADRM CCc1ocnc1C(=O)O[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000830402819 602087239 /nfs/dbraw/zinc/08/72/39/602087239.db2.gz ABFCWLNWDLBJQF-GFCCVEGCSA-N -1 0 344.150 3.527 20 0 EHADRM O=C([O-])[C@H](OC(=O)CCn1cccc1)c1cc(Cl)cc(Cl)c1 ZINC000833103853 602089456 /nfs/dbraw/zinc/08/94/56/602089456.db2.gz JPSLWCJAZJXSLN-CQSZACIVSA-N -1 0 342.178 3.554 20 0 EHADRM O=C([O-])[C@@H](OC(=O)C1CC(F)(F)C1)c1cc(Cl)cc(Cl)c1 ZINC000833348047 602090096 /nfs/dbraw/zinc/09/00/96/602090096.db2.gz MMHPVAHNTKNUJB-JTQLQIEISA-N -1 0 339.121 3.708 20 0 EHADRM CCO[C@H](CC(=O)Oc1cc2ccccc2cc1C(=O)[O-])C(C)C ZINC000829913255 602101232 /nfs/dbraw/zinc/10/12/32/602101232.db2.gz VDAYHLYAIBWVJJ-MRXNPFEDSA-N -1 0 330.380 3.895 20 0 EHADRM C[C@@H](CC(=O)[O-])c1nc(-c2ccc(Oc3ccc(F)cc3)nc2)no1 ZINC000827392182 602102876 /nfs/dbraw/zinc/10/28/76/602102876.db2.gz UWURDOJVQCPOKC-JTQLQIEISA-N -1 0 343.314 3.641 20 0 EHADRM CCCCCn1nc(C)cc1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000557176344 602106927 /nfs/dbraw/zinc/10/69/27/602106927.db2.gz JSWZEHREEJZUEY-UHFFFAOYSA-N -1 0 344.415 3.653 20 0 EHADRM CC[C@@H](C)N1C(=O)N[C@@H](c2cnc(C3CCC3)s2)C(C(=O)[O-])=C1C ZINC000828753403 602110481 /nfs/dbraw/zinc/11/04/81/602110481.db2.gz MYEQOZWCUVSRCZ-OTYXRUKQSA-N -1 0 349.456 3.634 20 0 EHADRM O=C([O-])COc1ccc(NCCOc2ccccc2)c2ccccc12 ZINC000833259413 602113381 /nfs/dbraw/zinc/11/33/81/602113381.db2.gz NOBJULPEFVXRAE-UHFFFAOYSA-N -1 0 337.375 3.794 20 0 EHADRM CCO[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-])C(C)C ZINC000829912156 602120804 /nfs/dbraw/zinc/12/08/04/602120804.db2.gz GNVAIOKQSXDRCS-ZDUSSCGKSA-N -1 0 347.333 3.793 20 0 EHADRM O=C([O-])c1c(F)cccc1NCc1nnc(-c2cccc(Cl)c2)o1 ZINC000833294065 602129181 /nfs/dbraw/zinc/12/91/81/602129181.db2.gz NDODXZWKAWZKAN-UHFFFAOYSA-N -1 0 347.733 3.839 20 0 EHADRM CCC[C@](C)(NC(=O)[O-])C(=O)Nc1ccc(-c2ccccc2)cn1 ZINC000739304820 602133639 /nfs/dbraw/zinc/13/36/39/602133639.db2.gz VLRKBYSJOHKPJC-SFHVURJKSA-N -1 0 327.384 3.514 20 0 EHADRM CCCc1ccc(N[C@H](C(=O)[O-])c2cc(OC)cc(OC)c2)cc1 ZINC000829566620 602163652 /nfs/dbraw/zinc/16/36/52/602163652.db2.gz OOQRXZMOJNYCJS-SFHVURJKSA-N -1 0 329.396 3.894 20 0 EHADRM CCSc1ccc(C(=O)Nc2ccccc2CN(C)C(=O)[O-])cn1 ZINC000739515904 602170258 /nfs/dbraw/zinc/17/02/58/602170258.db2.gz CGKIARYRWFSVIN-UHFFFAOYSA-N -1 0 345.424 3.556 20 0 EHADRM COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2NC(=O)[O-])cc1 ZINC000739930945 602174014 /nfs/dbraw/zinc/17/40/14/602174014.db2.gz CJPZKFQWTNEHPX-NSHDSACASA-N -1 0 346.408 3.904 20 0 EHADRM CC(C)c1ncc(Cl)c(C(=O)Nc2ccccc2NC(=O)[O-])n1 ZINC000738881126 602174154 /nfs/dbraw/zinc/17/41/54/602174154.db2.gz SYAMUWHBHYPVTO-UHFFFAOYSA-N -1 0 334.763 3.596 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N(C)[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000827240530 602175010 /nfs/dbraw/zinc/17/50/10/602175010.db2.gz MANRHHILHCTODL-GJZGRUSLSA-N -1 0 325.408 3.984 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2csc(-c3ccc(F)cc3)n2)c1 ZINC000191328188 602178776 /nfs/dbraw/zinc/17/87/76/602178776.db2.gz MIKCIBSEBXBWLW-UHFFFAOYSA-N -1 0 348.380 3.961 20 0 EHADRM Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccccc2NC(=O)[O-])c1 ZINC000740116388 602178729 /nfs/dbraw/zinc/17/87/29/602178729.db2.gz KKBXPZNAKJEQPQ-UHFFFAOYSA-N -1 0 340.379 3.995 20 0 EHADRM CSc1ccc(O[C@@H](C)C(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000559378969 602179734 /nfs/dbraw/zinc/17/97/34/602179734.db2.gz INTCYQANYXYLIJ-VIFPVBQESA-N -1 0 337.422 3.574 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)OC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000827333830 602187159 /nfs/dbraw/zinc/18/71/59/602187159.db2.gz PNDJPCISTZACCW-LLVKDONJSA-N -1 0 334.318 3.708 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000833343126 602187294 /nfs/dbraw/zinc/18/72/94/602187294.db2.gz XMCPMYSHNKVHJT-UHFFFAOYSA-N -1 0 333.262 3.857 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000569301077 602187923 /nfs/dbraw/zinc/18/79/23/602187923.db2.gz RPEOMVGGFHXHLM-NSHDSACASA-N -1 0 333.409 3.977 20 0 EHADRM Cc1ccc(-c2nc(C(=O)Nc3cc(C(=O)[O-])cs3)cs2)o1 ZINC000191348456 602188396 /nfs/dbraw/zinc/18/83/96/602188396.db2.gz JWUYEUNMXCCZBG-UHFFFAOYSA-N -1 0 334.378 3.724 20 0 EHADRM O=C([O-])CN(Cc1ccccc1)C(=O)c1ccc(-c2ccco2)s1 ZINC000833249380 602190210 /nfs/dbraw/zinc/19/02/10/602190210.db2.gz HDUDYKMVXBXJAP-UHFFFAOYSA-N -1 0 341.388 3.735 20 0 EHADRM CSCc1ccc(C(=O)Nc2cccc(CNC(=O)[O-])c2)cc1 ZINC000740015192 602201615 /nfs/dbraw/zinc/20/16/15/602201615.db2.gz WEZCHNBNLRZYOS-UHFFFAOYSA-N -1 0 330.409 3.570 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000740673839 602204662 /nfs/dbraw/zinc/20/46/62/602204662.db2.gz UWRIQUIJAUIWIY-UHFFFAOYSA-N -1 0 338.285 3.725 20 0 EHADRM CC(C)(NC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12)C1CC1 ZINC000826621317 602225455 /nfs/dbraw/zinc/22/54/55/602225455.db2.gz KMQQAVYSSKQOEI-UHFFFAOYSA-N -1 0 342.395 3.613 20 0 EHADRM CC[C@@H]1CCCN1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000829126072 602225767 /nfs/dbraw/zinc/22/57/67/602225767.db2.gz UDYYMEYLJDSQAO-CYBMUJFWSA-N -1 0 342.395 3.710 20 0 EHADRM CCCC1=C(C(=O)[O-])[C@H](c2cc3ccccc3s2)NC(=S)N1 ZINC000829245636 602232752 /nfs/dbraw/zinc/23/27/52/602232752.db2.gz NHGKNIWTVZVGQK-AWEZNQCLSA-N -1 0 332.450 3.559 20 0 EHADRM Cc1ccc(F)c(NC(=S)Nc2ccc3c(c2)CCN3C(=O)[O-])c1 ZINC000740127717 602235210 /nfs/dbraw/zinc/23/52/10/602235210.db2.gz ORFVYXGKNDTOCM-UHFFFAOYSA-N -1 0 345.399 3.984 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)c3cccc4cccnc43)ccc21 ZINC000740469554 602242183 /nfs/dbraw/zinc/24/21/83/602242183.db2.gz HZMZJVPUWNNYOS-UHFFFAOYSA-N -1 0 333.347 3.528 20 0 EHADRM CC(C)c1cccc(O[C@H](C(=O)N[C@H](C)C(=O)[O-])c2ccccc2)c1 ZINC000236802015 602243783 /nfs/dbraw/zinc/24/37/83/602243783.db2.gz IBUDIONEONRDRP-KDOFPFPSSA-N -1 0 341.407 3.519 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)/C=C/c3ccccc3F)ccc21 ZINC000740344971 602244554 /nfs/dbraw/zinc/24/45/54/602244554.db2.gz CUTMGYXQMYUTOI-VMPITWQZSA-N -1 0 326.327 3.518 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)[C@H](C)OC1CCCCCC1 ZINC000825942286 602255065 /nfs/dbraw/zinc/25/50/65/602255065.db2.gz QGZYSTAWQWWHLS-ZDUSSCGKSA-N -1 0 348.395 3.621 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)CCc2ccccc2)c2ccccc12 ZINC000237957794 602259151 /nfs/dbraw/zinc/25/91/51/602259151.db2.gz XWYDMRHAESRNSL-UHFFFAOYSA-N -1 0 349.386 3.875 20 0 EHADRM Cc1ccc(-c2nc(CN3CCCC[C@@H]3[C@@H](C)NC(=O)[O-])co2)cc1 ZINC000740092555 602274980 /nfs/dbraw/zinc/27/49/80/602274980.db2.gz LPKGYDOSHPEWHV-RHSMWYFYSA-N -1 0 343.427 3.661 20 0 EHADRM COc1cc(NC(=O)NC2(c3ccccc3)CC2)ccc1NC(=O)[O-] ZINC000739865212 602275690 /nfs/dbraw/zinc/27/56/90/602275690.db2.gz DHVROZBDHJKOGW-UHFFFAOYSA-N -1 0 341.367 3.596 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)N3CCC[C@@H]3C3CCC3)ccc21 ZINC000740530514 602285685 /nfs/dbraw/zinc/28/56/85/602285685.db2.gz ZMFFCQKXAOATCK-OAHLLOKOSA-N -1 0 329.400 3.524 20 0 EHADRM COc1ccc(Cl)cc1CN(C)C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000738099492 602292301 /nfs/dbraw/zinc/29/23/01/602292301.db2.gz OCLSMBYSHIEXLX-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])cc1Cl ZINC000740107320 602294864 /nfs/dbraw/zinc/29/48/64/602294864.db2.gz MACMYSIWEMOQRI-UHFFFAOYSA-N -1 0 330.771 3.941 20 0 EHADRM C[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1)c1ccncc1 ZINC000827226660 602296487 /nfs/dbraw/zinc/29/64/87/602296487.db2.gz OLTJEYJMMFIRIT-WBMJQRKESA-N -1 0 346.814 3.561 20 0 EHADRM C[C@@H](Sc1ccccn1)c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000827922793 602308935 /nfs/dbraw/zinc/30/89/35/602308935.db2.gz YXIGPJUIVIGYGX-SNVBAGLBSA-N -1 0 327.365 3.683 20 0 EHADRM Cc1cccc(C)c1C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000237621308 602320098 /nfs/dbraw/zinc/32/00/98/602320098.db2.gz ZPRHDBULIYBHCD-UHFFFAOYSA-N -1 0 348.402 3.681 20 0 EHADRM CC/C(=C/C(=O)N(C)c1ncc(C(=O)[O-])s1)c1ccc(C)cc1 ZINC000828550091 602333551 /nfs/dbraw/zinc/33/35/51/602333551.db2.gz SBBFRVBDOMMALH-XFXZXTDPSA-N -1 0 330.409 3.606 20 0 EHADRM Cc1cccc2[nH]cc(CC(=O)Nc3ccc4c(c3)CCN4C(=O)[O-])c21 ZINC000740174187 602337445 /nfs/dbraw/zinc/33/74/45/602337445.db2.gz INNUERLDZYLYSZ-UHFFFAOYSA-N -1 0 349.390 3.698 20 0 EHADRM CC(C)Sc1ccc(C(=O)N(C)c2ncc(C(=O)[O-])s2)cc1 ZINC000827072487 602337903 /nfs/dbraw/zinc/33/79/03/602337903.db2.gz BNRFWYFALOICHD-UHFFFAOYSA-N -1 0 336.438 3.618 20 0 EHADRM CN(C(=O)/C=C\c1ccc(C(C)(C)C)cc1)c1ncc(C(=O)[O-])s1 ZINC000830465161 602341339 /nfs/dbraw/zinc/34/13/39/602341339.db2.gz PBCXFEYFFZDHSA-YFHOEESVSA-N -1 0 344.436 3.815 20 0 EHADRM Cc1ccc(CC(=O)Nc2ccc(CNC(=O)[O-])cc2)c(Cl)c1 ZINC000832928923 602350179 /nfs/dbraw/zinc/35/01/79/602350179.db2.gz MCLCPZCYWYFTSM-UHFFFAOYSA-N -1 0 332.787 3.597 20 0 EHADRM CC(C)Sc1ccc([C@@H](C)NC(=O)[C@H]2CCCN2C(=O)[O-])cc1 ZINC000738870511 602353073 /nfs/dbraw/zinc/35/30/73/602353073.db2.gz ZLBUYQOOHCDEBU-IUODEOHRSA-N -1 0 336.457 3.507 20 0 EHADRM COc1cccc(/C(C)=C/C(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000776647336 602355325 /nfs/dbraw/zinc/35/53/25/602355325.db2.gz JOQXHMGVEDOEGB-DHZHZOJOSA-N -1 0 329.327 3.575 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCCOCCc2ccccc2)cc1F ZINC000767202601 602356383 /nfs/dbraw/zinc/35/63/83/602356383.db2.gz WZFKNKKCEARLNP-UHFFFAOYSA-N -1 0 345.370 3.502 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1 ZINC000830169755 602356991 /nfs/dbraw/zinc/35/69/91/602356991.db2.gz XLOOKITUAMGZQF-NSHDSACASA-N -1 0 347.440 3.718 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cc2csc3ccccc23)cc1F ZINC000776645886 602359783 /nfs/dbraw/zinc/35/97/83/602359783.db2.gz CVJMGTFTXQVEGW-UHFFFAOYSA-N -1 0 329.352 3.920 20 0 EHADRM CC(C)c1ccc([C@H](CNC(=O)Cc2ccsc2)NC(=O)[O-])cc1 ZINC000738876769 602361181 /nfs/dbraw/zinc/36/11/81/602361181.db2.gz LJDJEQCPLJBLCR-INIZCTEOSA-N -1 0 346.452 3.539 20 0 EHADRM CC(C)c1cccc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)n1 ZINC000827129506 602361793 /nfs/dbraw/zinc/36/17/93/602361793.db2.gz PCKJOVWVGGWALC-MRXNPFEDSA-N -1 0 326.396 3.541 20 0 EHADRM Cn1cc(NC(=O)N2CCCC[C@H]2c2ccc(F)cc2)cc1C(=O)[O-] ZINC000833048587 602369653 /nfs/dbraw/zinc/36/96/53/602369653.db2.gz LQTZJYIUEJYDEU-HNNXBMFYSA-N -1 0 345.374 3.622 20 0 EHADRM CC[C@@H](NC(=O)Nc1cc(C(=O)[O-])n(C)c1)c1cccc(Cl)c1 ZINC000828952508 602373487 /nfs/dbraw/zinc/37/34/87/602373487.db2.gz ZMLIGHVPPSWYNZ-CYBMUJFWSA-N -1 0 335.791 3.650 20 0 EHADRM Cn1cc(NC(=O)N[C@H](c2ccccc2)C(C)(C)C)cc1C(=O)[O-] ZINC000833048027 602374298 /nfs/dbraw/zinc/37/42/98/602374298.db2.gz CFIASZGBBVRERZ-OAHLLOKOSA-N -1 0 329.400 3.632 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000827935200 602377034 /nfs/dbraw/zinc/37/70/34/602377034.db2.gz OIILBEBOEVTCHL-SNVBAGLBSA-N -1 0 335.791 3.602 20 0 EHADRM CCN(Cc1ccccc1C)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000829728105 602381336 /nfs/dbraw/zinc/38/13/36/602381336.db2.gz ULNMSYMNRUSGAA-UHFFFAOYSA-N -1 0 330.359 3.886 20 0 EHADRM CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000830149628 602381481 /nfs/dbraw/zinc/38/14/81/602381481.db2.gz JEHARAQKUOXBSK-VXGBXAGGSA-N -1 0 340.420 3.662 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)cc1F ZINC000833319942 602385400 /nfs/dbraw/zinc/38/54/00/602385400.db2.gz PQAYFAPEXAFATN-KCXRBIIJSA-N -1 0 332.375 3.566 20 0 EHADRM O=C([O-])CN(C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)C1CCCC1 ZINC000833241532 602400998 /nfs/dbraw/zinc/40/09/98/602400998.db2.gz GSRDENZYRSIQRX-MOPGFXCFSA-N -1 0 337.419 3.799 20 0 EHADRM Cc1ccc(NC(=O)N2CCC(CN(C)C(=O)[O-])CC2)c(Cl)c1 ZINC000740139412 602408801 /nfs/dbraw/zinc/40/88/01/602408801.db2.gz UQXDSHCGOGSTHH-UHFFFAOYSA-N -1 0 339.823 3.502 20 0 EHADRM COc1ccc([C@@H](C)c2nc([C@H](CC(C)C)NC(=O)[O-])no2)cc1 ZINC000739894975 602409950 /nfs/dbraw/zinc/40/99/50/602409950.db2.gz GZKJMEVUNMNSDB-RISCZKNCSA-N -1 0 333.388 3.585 20 0 EHADRM CCSCc1ccc(-c2nc(C3(NC(=O)[O-])CCC3)no2)cc1 ZINC000739518855 602416588 /nfs/dbraw/zinc/41/65/88/602416588.db2.gz KHNMWWMFAUPTAW-UHFFFAOYSA-N -1 0 333.413 3.637 20 0 EHADRM CCCN(C(=S)Nc1ccccc1Cl)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739344193 602431930 /nfs/dbraw/zinc/43/19/30/602431930.db2.gz GTDBOVDSFXAKKW-LLVKDONJSA-N -1 0 341.864 3.501 20 0 EHADRM CC(C)c1ccccc1NC(=O)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000738875743 602464613 /nfs/dbraw/zinc/46/46/13/602464613.db2.gz HDHZJZPODZEOOX-ZDUSSCGKSA-N -1 0 333.432 3.710 20 0 EHADRM C[C@H](CNC(=O)[O-])N(C)C(=O)c1cc2sc3ccccc3c2s1 ZINC000738934951 602468665 /nfs/dbraw/zinc/46/86/65/602468665.db2.gz VTVHBNLRJKEDNV-SECBINFHSA-N -1 0 348.449 3.844 20 0 EHADRM Cc1ccc(CN(C)C(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)s1 ZINC000740124029 602474496 /nfs/dbraw/zinc/47/44/96/602474496.db2.gz ZQUMOCZTJLHESA-MRXNPFEDSA-N -1 0 346.452 3.804 20 0 EHADRM Cc1ccc(CN(C(=O)c2ccc(F)c(NC(=O)[O-])c2)C2CC2)o1 ZINC000740121331 602485515 /nfs/dbraw/zinc/48/55/15/602485515.db2.gz JORGRHBDJKFVLQ-UHFFFAOYSA-N -1 0 332.331 3.622 20 0 EHADRM O=C([O-])N1CCc2ccc(NC(=O)c3c(F)cccc3Cl)cc2C1 ZINC000740464853 602487628 /nfs/dbraw/zinc/48/76/28/602487628.db2.gz ARBVPQFUQOZXPI-UHFFFAOYSA-N -1 0 348.761 3.768 20 0 EHADRM CC1(c2ccccc2)CC(NC(=O)c2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000739073052 602488329 /nfs/dbraw/zinc/48/83/29/602488329.db2.gz QGHVMTOORGXFDV-UHFFFAOYSA-N -1 0 342.370 3.766 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000740709629 602501117 /nfs/dbraw/zinc/50/11/17/602501117.db2.gz OTUZDRZYEMVWPD-UHFFFAOYSA-N -1 0 338.285 3.977 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)Cc2ccc(-n3cccc3)cc2)cc1 ZINC000740709470 602502312 /nfs/dbraw/zinc/50/23/12/602502312.db2.gz GHYAUVIOVQOBNK-UHFFFAOYSA-N -1 0 335.363 3.748 20 0 EHADRM CC1=NN(c2ccc(C(=O)Nc3ccc(NC(=O)[O-])cc3)cc2)CC1 ZINC000739069226 602502567 /nfs/dbraw/zinc/50/25/67/602502567.db2.gz DOVNBYXKZXVGGV-UHFFFAOYSA-N -1 0 338.367 3.615 20 0 EHADRM CC(C)Oc1ncc(C(=O)Nc2ccc(NC(=O)[O-])cc2)cc1Cl ZINC000738866836 602503334 /nfs/dbraw/zinc/50/33/34/602503334.db2.gz CAZLUGTXSQCJEZ-UHFFFAOYSA-N -1 0 349.774 3.864 20 0 EHADRM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000739932072 602503628 /nfs/dbraw/zinc/50/36/28/602503628.db2.gz ILIJZIKNWSOVTE-NSHDSACASA-N -1 0 346.408 3.904 20 0 EHADRM COc1nc(C(=O)Nc2ccc(NC(=O)[O-])cc2)cc2ccccc21 ZINC000739983898 602504421 /nfs/dbraw/zinc/50/44/21/602504421.db2.gz JLYRJDMEVGKFPC-UHFFFAOYSA-N -1 0 337.335 3.586 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)c3cccc4cccnc43)ccc21 ZINC000740471764 602507477 /nfs/dbraw/zinc/50/74/77/602507477.db2.gz JNSDAIJIOYJIAU-UHFFFAOYSA-N -1 0 347.374 3.918 20 0 EHADRM CC[C@H](NC(=O)[O-])C(=O)N(Cc1ccco1)c1cccc(Cl)c1 ZINC000739520680 602511637 /nfs/dbraw/zinc/51/16/37/602511637.db2.gz HQVDAXWKWVXOSZ-AWEZNQCLSA-N -1 0 336.775 3.512 20 0 EHADRM CN(C(=O)[O-])C1CCN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C)CC1 ZINC000737930427 602561417 /nfs/dbraw/zinc/56/14/17/602561417.db2.gz RTQNVOMUIVDXAY-INIZCTEOSA-N -1 0 347.459 3.558 20 0 EHADRM C[C@@H](OC(=O)c1ccc(F)c(NC(=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000739042857 602566393 /nfs/dbraw/zinc/56/63/93/602566393.db2.gz LIZOQUXYSXFURP-SECBINFHSA-N -1 0 343.314 3.710 20 0 EHADRM CC[C@@](C)(NC(=O)c1ccc(F)c(NC(=O)[O-])c1)c1ccccc1 ZINC000739220634 602568571 /nfs/dbraw/zinc/56/85/71/602568571.db2.gz WMEKNHPYQQXOCP-GOSISDBHSA-N -1 0 330.359 3.971 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)c3c([O-])cccc3Cl)ccc21 ZINC000740466633 602577018 /nfs/dbraw/zinc/57/70/18/602577018.db2.gz ZMARNXBSHIZZDI-UHFFFAOYSA-N -1 0 346.770 3.729 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](CNC(=O)[O-])C1 ZINC000740159573 602581033 /nfs/dbraw/zinc/58/10/33/602581033.db2.gz QWBWSNXSJWJZFS-CQSZACIVSA-N -1 0 333.432 3.630 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000740155951 602581154 /nfs/dbraw/zinc/58/11/54/602581154.db2.gz BNTWCMPRFUIQJP-CQSZACIVSA-N -1 0 333.432 3.582 20 0 EHADRM Cc1cccc(C)c1NC(=O)N1CCC[C@H]([C@H]2CCCN2C(=O)[O-])C1 ZINC000740165622 602581827 /nfs/dbraw/zinc/58/18/27/602581827.db2.gz GKMYHLQDUMSMEZ-JKSUJKDBSA-N -1 0 345.443 3.690 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000738917628 602597295 /nfs/dbraw/zinc/59/72/95/602597295.db2.gz FHFZDDONCPWRNE-MRVPVSSYSA-N -1 0 345.321 3.963 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N[C@H]2CCCOc3ccccc32)cc1 ZINC000740709696 602599677 /nfs/dbraw/zinc/59/96/77/602599677.db2.gz AYRSYIJBOBLZRW-HNNXBMFYSA-N -1 0 341.367 3.812 20 0 EHADRM CN(CCCc1ccccc1)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739685867 602601785 /nfs/dbraw/zinc/60/17/85/602601785.db2.gz YWZNSOIRFHOAQL-UHFFFAOYSA-N -1 0 327.384 3.873 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000740710710 602601913 /nfs/dbraw/zinc/60/19/13/602601913.db2.gz XSJKNYADGRAGOB-VIFPVBQESA-N -1 0 331.294 3.583 20 0 EHADRM COc1ccc(C)cc1[C@@H](C)NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739895202 602602335 /nfs/dbraw/zinc/60/23/35/602602335.db2.gz UDCFUIONXRPIOO-GFCCVEGCSA-N -1 0 343.383 3.976 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NCC2(c3ccccc3)CC2)cc1 ZINC000740710027 602602705 /nfs/dbraw/zinc/60/27/05/602602705.db2.gz IZEKZXXCNFSMBO-UHFFFAOYSA-N -1 0 325.368 3.630 20 0 EHADRM CCc1nc([C@H](C)NC(=O)Nc2ccc(NC(=O)[O-])cc2)cs1 ZINC000737277070 602605641 /nfs/dbraw/zinc/60/56/41/602605641.db2.gz OVMTXEZSUFLTRS-VIFPVBQESA-N -1 0 334.401 3.678 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NC[C@@H]2CCc3ccccc32)cc1 ZINC000738664996 602605985 /nfs/dbraw/zinc/60/59/85/602605985.db2.gz JDGUODRSSFZJDE-ZDUSSCGKSA-N -1 0 325.368 3.628 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)Cc2ccc(NC(=O)[O-])cc2)c(C)c1 ZINC000740123108 602673449 /nfs/dbraw/zinc/67/34/49/602673449.db2.gz ZOYIWJBYURENAW-OAHLLOKOSA-N -1 0 340.423 3.683 20 0 EHADRM COc1ccc(-c2csc(C3(NC(=O)[O-])CCCC3)n2)c(OC)c1 ZINC000739877296 602685070 /nfs/dbraw/zinc/68/50/70/602685070.db2.gz OQUSQBTXMFJEOD-UHFFFAOYSA-N -1 0 348.424 3.864 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)Nc1ccc(NC(=O)[O-])c(OC)c1 ZINC000739260862 602699404 /nfs/dbraw/zinc/69/94/04/602699404.db2.gz SJOBWSNDNWBHEZ-AWEZNQCLSA-N -1 0 342.395 3.993 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)c1ccc(CNC(=O)[O-])cc1)C1CC1 ZINC000740180241 602705614 /nfs/dbraw/zinc/70/56/14/602705614.db2.gz DIVSYEUZKWBUFF-GOSISDBHSA-N -1 0 338.407 3.644 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)OCc2ncc(-c3cccs3)o2)c1 ZINC000740038668 602710321 /nfs/dbraw/zinc/71/03/21/602710321.db2.gz FZIURCDDPMDKBH-UHFFFAOYSA-N -1 0 344.348 3.850 20 0 EHADRM C[C@@H](CC(=O)Nc1ccccc1NC(=O)[O-])C(=O)c1ccccc1 ZINC000738892941 602711828 /nfs/dbraw/zinc/71/18/28/602711828.db2.gz WVBXIXAHXPBGNN-LBPRGKRZSA-N -1 0 326.352 3.624 20 0 EHADRM C[C@H](CC(=O)Oc1cccc(CNC(=O)[O-])c1)c1ccccc1F ZINC000738894411 602729202 /nfs/dbraw/zinc/72/92/02/602729202.db2.gz INDJDOFUDDXEPB-GFCCVEGCSA-N -1 0 331.343 3.693 20 0 EHADRM Cc1cccc(CSCC(=O)Oc2cccc(CNC(=O)[O-])c2)c1 ZINC000740165940 602730562 /nfs/dbraw/zinc/73/05/62/602730562.db2.gz DUAFYRYWPFZTJD-UHFFFAOYSA-N -1 0 345.420 3.601 20 0 EHADRM CC(C)(CCCc1ccccc1)C(=O)NCC1CCN(C(=O)[O-])CC1 ZINC000738746015 602731768 /nfs/dbraw/zinc/73/17/68/602731768.db2.gz FBOGWMJXHMZPMT-UHFFFAOYSA-N -1 0 346.471 3.542 20 0 EHADRM CCN(Cc1ccccc1NC(=O)CO[C@H]1CCC[C@H](C)C1)C(=O)[O-] ZINC000739444119 602731881 /nfs/dbraw/zinc/73/18/81/602731881.db2.gz OVMCFTAQMYHNDV-HOCLYGCPSA-N -1 0 348.443 3.720 20 0 EHADRM CC(C)[C@H](c1ccccc1)N(C)C(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000738800270 602732110 /nfs/dbraw/zinc/73/21/10/602732110.db2.gz MBOCWBFTSFMWJL-GOSISDBHSA-N -1 0 340.423 3.924 20 0 EHADRM O=C([O-])NC1(c2nc(-c3ccc4c(c3)CCO4)cs2)CCCC1 ZINC000740547353 602744405 /nfs/dbraw/zinc/74/44/05/602744405.db2.gz FLQSKJYCGSLLHP-UHFFFAOYSA-N -1 0 330.409 3.782 20 0 EHADRM CC(C)N(Cc1ccco1)C(=O)[C@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823654795 602761439 /nfs/dbraw/zinc/76/14/39/602761439.db2.gz MJNSBNITOHOXPP-RHSMWYFYSA-N -1 0 344.411 3.662 20 0 EHADRM C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)C[C@H](C)NC(=O)[O-] ZINC000824564227 602762209 /nfs/dbraw/zinc/76/22/09/602762209.db2.gz GNXSXHFTXGKATG-UONOGXRCSA-N -1 0 346.452 3.884 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)N1CCC[C@H]2CCC[C@H]21)c1ccccc1 ZINC000740538179 602784365 /nfs/dbraw/zinc/78/43/65/602784365.db2.gz LDIKJTXSVJVBTP-BRWVUGGUSA-N -1 0 330.428 3.567 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CCC(C)(C)NC(=O)[O-] ZINC000739055308 602789069 /nfs/dbraw/zinc/78/90/69/602789069.db2.gz WFXXGHDTNFTOEH-NSHDSACASA-N -1 0 326.824 3.686 20 0 EHADRM CCN(Cc1ccccc1NC(=O)[C@@H](C)c1ccsc1)C(=O)[O-] ZINC000739443426 602792193 /nfs/dbraw/zinc/79/21/93/602792193.db2.gz JMXJKPATYSQQKK-LBPRGKRZSA-N -1 0 332.425 3.990 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)CCC(C)(C)NC(=O)[O-] ZINC000740050588 602794687 /nfs/dbraw/zinc/79/46/87/602794687.db2.gz UHRWFBBXSDXVFP-LBPRGKRZSA-N -1 0 332.400 3.745 20 0 EHADRM C[C@H](NC(=O)CCC(C)(C)NC(=O)[O-])c1csc2ccccc21 ZINC000738962712 602803999 /nfs/dbraw/zinc/80/39/99/602803999.db2.gz ZNXGPOBRLVXMNM-NSHDSACASA-N -1 0 334.441 3.905 20 0 EHADRM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1C(=O)CC/C=C\c1ccccc1 ZINC000739000619 602811575 /nfs/dbraw/zinc/81/15/75/602811575.db2.gz ZUGAXPARIZWZBW-FUJXFWNTSA-N -1 0 330.428 3.517 20 0 EHADRM CC(C)C[C@H](CNC(=O)[O-])Nc1nc(C(F)F)nc2ccccc21 ZINC000738813073 602813034 /nfs/dbraw/zinc/81/30/34/602813034.db2.gz XJUUJQIWHSLTCP-SNVBAGLBSA-N -1 0 338.358 3.662 20 0 EHADRM CC[C@H](NC(=O)c1ccc(NC(=O)[O-])cc1)c1ccc(F)cc1F ZINC000736916503 602814128 /nfs/dbraw/zinc/81/41/28/602814128.db2.gz IEZWFGUWFQALLV-HNNXBMFYSA-N -1 0 334.322 3.936 20 0 EHADRM CC(C)(CC(=O)Nc1ccc(OC2CCCC2)c(F)c1)NC(=O)[O-] ZINC000738734499 602819330 /nfs/dbraw/zinc/81/93/30/602819330.db2.gz JDGCCLDSZFLXEY-UHFFFAOYSA-N -1 0 338.379 3.522 20 0 EHADRM CC(C)CC[C@H](NC(=O)N1CCC[C@H](CNC(=O)[O-])C1)C(C)(C)C ZINC000738820983 602842546 /nfs/dbraw/zinc/84/25/46/602842546.db2.gz TUXMVYCTNKFNKX-CABCVRRESA-N -1 0 341.496 3.527 20 0 EHADRM CCC[C@@H](CC1CCCC1)C(=O)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000739307503 602847878 /nfs/dbraw/zinc/84/78/78/602847878.db2.gz VKOKBLUIJVMTLS-KRWDZBQOSA-N -1 0 338.492 3.831 20 0 EHADRM CCO[C@H](C)c1ncc(C(=O)Nc2ccc(NC(=O)[O-])cc2)s1 ZINC000827363108 602857428 /nfs/dbraw/zinc/85/74/28/602857428.db2.gz VZTIFVWKWXSKJZ-SECBINFHSA-N -1 0 335.385 3.583 20 0 EHADRM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)Nc1ccc(C)c(Cl)c1 ZINC000739969746 602883311 /nfs/dbraw/zinc/88/33/11/602883311.db2.gz SPYLNBPPHJIYII-OAHLLOKOSA-N -1 0 348.786 3.604 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(Cl)cc2Cl)CC[C@H]1NC(=O)[O-] ZINC000739145780 602908363 /nfs/dbraw/zinc/90/83/63/602908363.db2.gz KESYEIKTNUHRLC-GZMMTYOYSA-N -1 0 346.214 3.503 20 0 EHADRM Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)OC(=O)[C@@H](C)NC(=O)[O-] ZINC000740092573 602929545 /nfs/dbraw/zinc/92/95/45/602929545.db2.gz MFUGGZODTGDECV-NEPJUHHUSA-N -1 0 348.424 3.687 20 0 EHADRM C[C@@H](Oc1cccc(Cl)c1)C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000737725071 602958722 /nfs/dbraw/zinc/95/87/22/602958722.db2.gz BFICWGYJDOPENX-SNVBAGLBSA-N -1 0 335.743 3.803 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000738119460 602959121 /nfs/dbraw/zinc/95/91/21/602959121.db2.gz HTVXJQLVZFPOGE-GFCCVEGCSA-N -1 0 329.352 3.884 20 0 EHADRM CC(C)c1ccccc1OCC(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000737646136 602968069 /nfs/dbraw/zinc/96/80/69/602968069.db2.gz ARLCPJADAAKXJQ-UHFFFAOYSA-N -1 0 329.352 3.884 20 0 EHADRM C[C@@H]1CN(C(=O)CCCCCCNC(=O)[O-])CC[C@H]1c1ccccc1 ZINC000739125533 602982996 /nfs/dbraw/zinc/98/29/96/602982996.db2.gz AQMURHAVNIBSBK-SJLPKXTDSA-N -1 0 346.471 3.857 20 0 EHADRM Cc1ccc2cccc(C(=O)Nc3ccc4c(c3)CCN4C(=O)[O-])c2n1 ZINC000740156064 602999912 /nfs/dbraw/zinc/99/99/12/602999912.db2.gz WJMZKRZAAKSTPU-UHFFFAOYSA-N -1 0 347.374 3.836 20 0 EHADRM CC(C)c1ccc(CCC(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc1 ZINC000738883205 603001430 /nfs/dbraw/zinc/00/14/30/603001430.db2.gz PFOVFYVKZFCJPB-AYHJJNSGSA-N -1 0 344.455 3.532 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCC[C@@H]1NC(=O)[O-])c1cccc(Cl)c1Cl ZINC000738958027 603004854 /nfs/dbraw/zinc/00/48/54/603004854.db2.gz FMELYAMTTLQCCX-PEXQALLHSA-N -1 0 345.226 3.607 20 0 EHADRM O=C([O-])NC1(c2noc(/C=C/c3ccc(Cl)s3)n2)CCC1 ZINC000740550586 603006605 /nfs/dbraw/zinc/00/66/05/603006605.db2.gz ZATJGMXWJIYXKP-HWKANZROSA-N -1 0 325.777 3.602 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)C[C@@H]1CCOc2ccccc21 ZINC000740714546 603007001 /nfs/dbraw/zinc/00/70/01/603007001.db2.gz RUEIUFWCKILGSV-LBPRGKRZSA-N -1 0 326.352 3.671 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000739257650 603011395 /nfs/dbraw/zinc/01/13/95/603011395.db2.gz JFGUXKQYDSDPEP-MGNMYUMUSA-N -1 0 336.476 3.773 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NCc2nc(-c3cccs3)no2)c1 ZINC000740703348 603020303 /nfs/dbraw/zinc/02/03/03/603020303.db2.gz MWMOHJITDSLQLE-UHFFFAOYSA-N -1 0 334.332 3.639 20 0 EHADRM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)CC2CCN(C(=O)[O-])CC2)C1 ZINC000739085736 603038978 /nfs/dbraw/zinc/03/89/78/603038978.db2.gz UWGPRILWCFAJQS-GUYCJALGSA-N -1 0 348.418 3.515 20 0 EHADRM CCC[C@H](NC(=O)Nc1cc(NC(=O)[O-])ccc1F)c1ccccn1 ZINC000739302176 603040544 /nfs/dbraw/zinc/04/05/44/603040544.db2.gz IUOHGCNQDKECBB-AWEZNQCLSA-N -1 0 346.362 3.974 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N[C@@H]2CCOc3ccccc32)c1 ZINC000740704761 603041727 /nfs/dbraw/zinc/04/17/27/603041727.db2.gz DYNHPAZGPIPPMI-CYBMUJFWSA-N -1 0 345.330 3.561 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)C1CCN(C(=O)[O-])CC1 ZINC000737782621 603043220 /nfs/dbraw/zinc/04/32/20/603043220.db2.gz FDJWAGDSAMLSNR-GOSISDBHSA-N -1 0 346.471 3.555 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)Cc2c[nH]c3ccc(F)cc23)cc1 ZINC000827908464 603047630 /nfs/dbraw/zinc/04/76/30/603047630.db2.gz MKQBSJDLSCBGSF-UHFFFAOYSA-N -1 0 342.326 3.569 20 0 EHADRM CC(C)(NC(=O)[O-])C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000824024879 603052790 /nfs/dbraw/zinc/05/27/90/603052790.db2.gz HMOHKHICNXNBDA-UHFFFAOYSA-N -1 0 349.774 3.512 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)CCC(C)(C)NC(=O)[O-])C1 ZINC000825853139 603061407 /nfs/dbraw/zinc/06/14/07/603061407.db2.gz UINNDUMRXCHGTK-IUODEOHRSA-N -1 0 336.407 3.562 20 0 EHADRM C[C@]12CC3CC(C(=O)NC4CCC(NC(=O)[O-])CC4)(C1)C[C@@](C)(C3)C2 ZINC000739074033 603067622 /nfs/dbraw/zinc/06/76/22/603067622.db2.gz SUCZACXBODASCV-PLGBPXNASA-N -1 0 348.487 3.678 20 0 EHADRM CC[C@@H](C)[C@@H](C(=O)NC1CCC(NC(=O)[O-])CC1)c1ccccc1 ZINC000739227912 603067962 /nfs/dbraw/zinc/06/79/62/603067962.db2.gz UQROOIIPDJBMMQ-LHUBUQBQSA-N -1 0 332.444 3.511 20 0 EHADRM CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000826720053 603081828 /nfs/dbraw/zinc/08/18/28/603081828.db2.gz DPLNDSFSUPAHIN-CQSZACIVSA-N -1 0 332.322 3.556 20 0 EHADRM O=C([O-])N1CCC(CC(=O)Nc2cccc(CC(F)(F)F)c2)CC1 ZINC000831349265 603082621 /nfs/dbraw/zinc/08/26/21/603082621.db2.gz DHOVPCKAWPAANK-UHFFFAOYSA-N -1 0 344.333 3.510 20 0 EHADRM CC(C)c1ccc([C@H](C)NC(=O)NC2CCC(NC(=O)[O-])CC2)cc1 ZINC000738874300 603091486 /nfs/dbraw/zinc/09/14/86/603091486.db2.gz AJZGEYJEZSUENF-IGEOTXOUSA-N -1 0 347.459 3.749 20 0 EHADRM CCC[C@](C)(NC(=O)[O-])C(=O)O[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000739297715 603104657 /nfs/dbraw/zinc/10/46/57/603104657.db2.gz RSHHADIRLQTPPD-SGTLLEGYSA-N -1 0 346.383 3.772 20 0 EHADRM CCN(Cc1cccc(NC(=O)N[C@@H](C)c2ccc(C)o2)c1)C(=O)[O-] ZINC000739441749 603141722 /nfs/dbraw/zinc/14/17/22/603141722.db2.gz IOUPOFBIYFCALH-ZDUSSCGKSA-N -1 0 345.399 3.971 20 0 EHADRM CC(C)c1ccc(NC(=O)COc2ccc(N(C)C(=O)[O-])cc2)cc1 ZINC000824471130 603157958 /nfs/dbraw/zinc/15/79/58/603157958.db2.gz YMHYGRYIAVTZTO-UHFFFAOYSA-N -1 0 342.395 3.942 20 0 EHADRM CN(CCCNC(=O)[O-])C(=S)Nc1ccccc1-c1ccccc1 ZINC000739675947 603162809 /nfs/dbraw/zinc/16/28/09/603162809.db2.gz HDURBYMMVWLLCS-UHFFFAOYSA-N -1 0 343.452 3.640 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 ZINC000825421975 603171546 /nfs/dbraw/zinc/17/15/46/603171546.db2.gz DMHMYTWMAOJZBL-NSHDSACASA-N -1 0 348.786 3.686 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000740047807 603174992 /nfs/dbraw/zinc/17/49/92/603174992.db2.gz IMIQGUKCILOMFR-IHRRRGAJSA-N -1 0 344.411 3.745 20 0 EHADRM C[C@H](C(=O)Nc1cccc2c1CCN(C(=O)[O-])C2)c1ccccc1F ZINC000738638709 603175876 /nfs/dbraw/zinc/17/58/76/603175876.db2.gz OMLPGZCWWVKHBM-LBPRGKRZSA-N -1 0 342.370 3.604 20 0 EHADRM CCOc1ccc(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1 ZINC000827428783 603179968 /nfs/dbraw/zinc/17/99/68/603179968.db2.gz XQSYYDPISHAKJQ-GFCCVEGCSA-N -1 0 328.368 3.666 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)[C@H]2CSc3ccccc32)cc1 ZINC000825415714 603180785 /nfs/dbraw/zinc/18/07/85/603180785.db2.gz HSNZBFQBOCNVTH-ABAIWWIYSA-N -1 0 342.420 3.843 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2cccc3ncccc32)cc1 ZINC000825449567 603183199 /nfs/dbraw/zinc/18/31/99/603183199.db2.gz UECXKCHGIDGRHY-GFCCVEGCSA-N -1 0 335.363 3.816 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC[C@H]1NC(=O)[O-] ZINC000739145690 603185121 /nfs/dbraw/zinc/18/51/21/603185121.db2.gz JODQOLIPXSHUEJ-PRHODGIISA-N -1 0 346.214 3.503 20 0 EHADRM COc1ccccc1CCC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000829626800 603185914 /nfs/dbraw/zinc/18/59/14/603185914.db2.gz JQCLSVWWWVIBSC-CYBMUJFWSA-N -1 0 342.395 3.595 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)CCc2cc(F)ccc2F)cc1 ZINC000825418892 603189421 /nfs/dbraw/zinc/18/94/21/603189421.db2.gz YSXJUNXSMYFRON-LLVKDONJSA-N -1 0 348.349 3.865 20 0 EHADRM Cc1cc(C)cc(OCC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)c1 ZINC000830005287 603190055 /nfs/dbraw/zinc/19/00/55/603190055.db2.gz XCAZJBGJDGXROD-CQSZACIVSA-N -1 0 342.395 3.650 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)Nc2cccc(SC(F)F)c2)C1 ZINC000740568482 603194191 /nfs/dbraw/zinc/19/41/91/603194191.db2.gz UIVNRZCPOCUYFH-VHSXEESVSA-N -1 0 344.383 3.766 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(Nc2nccc(C(F)(F)F)n2)cc1 ZINC000825454973 603206867 /nfs/dbraw/zinc/20/68/67/603206867.db2.gz ZLPWTWFPWFOROA-MRVPVSSYSA-N -1 0 326.278 3.568 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCC[C@@H]2c2cccnc2)c(Cl)c1 ZINC000740700237 603210280 /nfs/dbraw/zinc/21/02/80/603210280.db2.gz UCKHCRWWPLIPSN-OAHLLOKOSA-N -1 0 345.786 3.802 20 0 EHADRM COc1cc(F)ccc1NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739867735 603216723 /nfs/dbraw/zinc/21/67/23/603216723.db2.gz TVHCOEHEDNGSIP-UHFFFAOYSA-N -1 0 338.722 3.830 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)CCC(C)(C)NC(=O)[O-] ZINC000739084317 603224844 /nfs/dbraw/zinc/22/48/44/603224844.db2.gz QEWCQEABRAVSDY-YCPHGPKFSA-N -1 0 332.444 3.606 20 0 EHADRM Cc1cc(C)c(NC(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)[O-])c(C)c1 ZINC000829990648 603245454 /nfs/dbraw/zinc/24/54/54/603245454.db2.gz DQNBNOIJMWLLSN-HUUCEWRRSA-N -1 0 333.432 3.560 20 0 EHADRM COc1ccc(C)cc1[C@H](C)NC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000829310704 603246310 /nfs/dbraw/zinc/24/63/10/603246310.db2.gz JAWJCFIBXSPUBN-ZDUSSCGKSA-N -1 0 342.395 3.893 20 0 EHADRM Cc1cc(Cl)ccc1NC(=O)NC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000830050648 603247540 /nfs/dbraw/zinc/24/75/40/603247540.db2.gz VTWLOUFCCVQAFU-OAHLLOKOSA-N -1 0 347.802 3.779 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@H]2CCCc3occc32)c(Cl)c1 ZINC000740697585 603247849 /nfs/dbraw/zinc/24/78/49/603247849.db2.gz GABLFLWDMHNDMW-ZDUSSCGKSA-N -1 0 334.759 3.830 20 0 EHADRM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(NC(=O)[O-])cc2)C12CCCC2 ZINC000737157763 603260877 /nfs/dbraw/zinc/26/08/77/603260877.db2.gz MUDBUILPZCANNI-JKSUJKDBSA-N -1 0 346.427 3.586 20 0 EHADRM CCO[C@H]1C[C@H](N(C)C(=O)c2cccc(NC(=O)[O-])c2)C12CCCC2 ZINC000737158890 603261025 /nfs/dbraw/zinc/26/10/25/603261025.db2.gz USQZWYIIXMDGGK-HOTGVXAUSA-N -1 0 346.427 3.586 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)Nc2nc(C3CC3)cs2)cc1 ZINC000825442477 603261660 /nfs/dbraw/zinc/26/16/60/603261660.db2.gz IGEGRJQIOOWLOU-SECBINFHSA-N -1 0 346.412 3.993 20 0 EHADRM O=C([O-])N[C@H](C(=O)Nc1ccc(F)cc1F)c1cccc(Cl)c1 ZINC000740531589 603262734 /nfs/dbraw/zinc/26/27/34/603262734.db2.gz ITXHSWDZBURCLD-ZDUSSCGKSA-N -1 0 340.713 3.566 20 0 EHADRM O=C([O-])N[C@H](C(=O)Nc1ccccc1Cl)c1cccc(Cl)c1 ZINC000740535584 603263503 /nfs/dbraw/zinc/26/35/03/603263503.db2.gz WLXTXMDQSORLHF-ZDUSSCGKSA-N -1 0 339.178 3.941 20 0 EHADRM COc1ccc(NC(=O)N2CCC3(C2)CCCCC3)cc1NC(=O)[O-] ZINC000829459592 603270732 /nfs/dbraw/zinc/27/07/32/603270732.db2.gz DKKBTMARSUDYBW-UHFFFAOYSA-N -1 0 347.415 3.973 20 0 EHADRM CC(C)C[C@H](NC(=O)c1ccc(CNC(=O)[O-])o1)c1ccccc1 ZINC000824219118 603271471 /nfs/dbraw/zinc/27/14/71/603271471.db2.gz RELLZMJHBIBOLP-HNNXBMFYSA-N -1 0 330.384 3.564 20 0 EHADRM CC[C@H](NC(=O)c1ccc(C)c(NC(=O)[O-])c1)c1ccc(OC)cc1 ZINC000826614123 603272076 /nfs/dbraw/zinc/27/20/76/603272076.db2.gz ZVPUFZISTOMGCC-INIZCTEOSA-N -1 0 342.395 3.975 20 0 EHADRM CCSCc1cccc(NC(=O)CC2CCN(C(=O)[O-])CC2)c1 ZINC000739517376 603278257 /nfs/dbraw/zinc/27/82/57/603278257.db2.gz LZJIRLBBFSHNRX-UHFFFAOYSA-N -1 0 336.457 3.658 20 0 EHADRM COc1cccc([C@H](C)NC(=O)c2ccc(C)c(NC(=O)[O-])c2)c1 ZINC000829545148 603299727 /nfs/dbraw/zinc/29/97/27/603299727.db2.gz ZTWWKZCKOWTNCL-LBPRGKRZSA-N -1 0 328.368 3.585 20 0 EHADRM CCO[C@@H](C)c1nc(COc2cccc(CNC(=O)[O-])c2)cs1 ZINC000739485948 603303289 /nfs/dbraw/zinc/30/32/89/603303289.db2.gz ZXLJVIZNMBICOW-NSHDSACASA-N -1 0 336.413 3.587 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCC(N(C)C(=O)[O-])CC2)cc1 ZINC000737651854 603305670 /nfs/dbraw/zinc/30/56/70/603305670.db2.gz SLXCSZOMDABENW-ROUUACIJSA-N -1 0 344.455 3.514 20 0 EHADRM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000825772260 603310735 /nfs/dbraw/zinc/31/07/35/603310735.db2.gz GLGAXYJVANVHRM-QAPCUYQASA-N -1 0 325.368 3.628 20 0 EHADRM CCN(Cc1cccc(NC(=O)[C@H](C)c2ccc(C)o2)c1)C(=O)[O-] ZINC000827167870 603321238 /nfs/dbraw/zinc/32/12/38/603321238.db2.gz PZECHLCWXLLPHJ-CYBMUJFWSA-N -1 0 330.384 3.830 20 0 EHADRM CC(C)[C@H](NC(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccccc1 ZINC000738791022 603330189 /nfs/dbraw/zinc/33/01/89/603330189.db2.gz FGVHYZRFVSSLSD-KRWDZBQOSA-N -1 0 341.411 3.973 20 0 EHADRM C[C@@H]1CCC[C@H](N(C)C(=O)Nc2ccccc2CN(C)C(=O)[O-])C1 ZINC000739096373 603333793 /nfs/dbraw/zinc/33/37/93/603333793.db2.gz YXWNIFVZMSGMPY-HIFRSBDPSA-N -1 0 333.432 3.839 20 0 EHADRM CCN(Cc1cccc(NC(=O)N(C)Cc2ccsc2)c1)C(=O)[O-] ZINC000739444233 603342918 /nfs/dbraw/zinc/34/29/18/603342918.db2.gz WKWFDIDIJUITHL-UHFFFAOYSA-N -1 0 347.440 3.912 20 0 EHADRM CCC1CCN(C(=O)Nc2cccc(CN(CC)C(=O)[O-])c2)CC1 ZINC000739269338 603344291 /nfs/dbraw/zinc/34/42/91/603344291.db2.gz UFORGGRNDWCGNM-UHFFFAOYSA-N -1 0 333.432 3.840 20 0 EHADRM CCN(Cc1ccccc1NC(=O)NCc1sccc1C)C(=O)[O-] ZINC000739444307 603349804 /nfs/dbraw/zinc/34/98/04/603349804.db2.gz VWYCIZVGENPOTF-UHFFFAOYSA-N -1 0 347.440 3.878 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N1CCCCCCC1)C(=O)[O-] ZINC000739448417 603351671 /nfs/dbraw/zinc/35/16/71/603351671.db2.gz STINFEIVVBBJGF-UHFFFAOYSA-N -1 0 333.432 3.985 20 0 EHADRM CCc1nc(NC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c2ccccc2)sc1C ZINC000827635858 603369638 /nfs/dbraw/zinc/36/96/38/603369638.db2.gz GVYORFVMOOQXDK-IINYFYTJSA-N -1 0 347.440 3.597 20 0 EHADRM Cc1csc([C@@H](C)NC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)n1 ZINC000830654936 603375400 /nfs/dbraw/zinc/37/54/00/603375400.db2.gz CTDOMZIDAZQYAY-WDEREUQCSA-N -1 0 348.428 3.663 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N([C@@H](C)C2CC2)C2CC2)cc1 ZINC000825423592 603379818 /nfs/dbraw/zinc/37/98/18/603379818.db2.gz SGSSCEJXQXLQRZ-NEPJUHHUSA-N -1 0 331.416 3.810 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N[C@H]2CCCc3occc32)cc1 ZINC000825426842 603379870 /nfs/dbraw/zinc/37/98/70/603379870.db2.gz KZEDWYZZSAEZHP-ABAIWWIYSA-N -1 0 343.383 3.807 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)Nc2cnn(C(C)(C)C)c2)cc1 ZINC000825442826 603380864 /nfs/dbraw/zinc/38/08/64/603380864.db2.gz QYORAEHACRLZNC-NSHDSACASA-N -1 0 345.403 3.611 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)NC2(c3ccccc3)CC2)cc1 ZINC000825427014 603383710 /nfs/dbraw/zinc/38/37/10/603383710.db2.gz NMBVBVFKMCKPAI-CYBMUJFWSA-N -1 0 339.395 3.826 20 0 EHADRM Cc1noc(C)c1[C@@H](C)NC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000830904107 603387417 /nfs/dbraw/zinc/38/74/17/603387417.db2.gz KFELTHXPANJAKD-NXEZZACHSA-N -1 0 346.387 3.503 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](C)Cc2ccccc2F)cc1NC(=O)[O-] ZINC000830206336 603392498 /nfs/dbraw/zinc/39/24/98/603392498.db2.gz ZMQUGMUDTLPORF-LBPRGKRZSA-N -1 0 330.359 3.585 20 0 EHADRM COc1cc(NC(=O)C[C@@H]2CCc3ccccc32)ccc1NC(=O)[O-] ZINC000739865493 603397838 /nfs/dbraw/zinc/39/78/38/603397838.db2.gz JIQCSZMNYHISSI-ZDUSSCGKSA-N -1 0 340.379 3.844 20 0 EHADRM Cc1ccc(-c2noc([C@@H](CNC(=O)[O-])c3ccccc3)n2)cc1F ZINC000830165039 603409206 /nfs/dbraw/zinc/40/92/06/603409206.db2.gz IZFSKXWRYZOGOH-AWEZNQCLSA-N -1 0 341.342 3.584 20 0 EHADRM Cc1cc(-c2noc([C@@H](CNC(=O)[O-])c3ccccc3)n2)ccc1F ZINC000829889345 603413763 /nfs/dbraw/zinc/41/37/63/603413763.db2.gz QBIMZIHCFOUFFD-AWEZNQCLSA-N -1 0 341.342 3.584 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000825083356 603427781 /nfs/dbraw/zinc/42/77/81/603427781.db2.gz PSASILJOSGAWPD-LSJOCFKGSA-N -1 0 345.226 3.607 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC000825081221 603430514 /nfs/dbraw/zinc/43/05/14/603430514.db2.gz AUMQEXCIPQJYDG-ATZCPNFKSA-N -1 0 345.226 3.607 20 0 EHADRM Cc1ccc(C(=O)N2CCCN(C(=O)[O-])c3ccccc32)c(Cl)n1 ZINC000740108028 603431868 /nfs/dbraw/zinc/43/18/68/603431868.db2.gz GQUFVSNFLAAMKM-UHFFFAOYSA-N -1 0 345.786 3.578 20 0 EHADRM C[C@@H](OC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1)c1ccc(F)cc1Cl ZINC000829801941 603436299 /nfs/dbraw/zinc/43/62/99/603436299.db2.gz VOVLXQXDGVZICY-YWVKMMECSA-N -1 0 329.755 3.520 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)[C@H]3CC[C@@H](NC(=O)[O-])C3)ccc2o1 ZINC000823864039 603467498 /nfs/dbraw/zinc/46/74/98/603467498.db2.gz GNLMZZYJBBWJFW-WDEREUQCSA-N -1 0 345.399 3.500 20 0 EHADRM Cc1cc(Br)oc1C(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000829904452 603484751 /nfs/dbraw/zinc/48/47/51/603484751.db2.gz MAOILNRQDBRHGY-UHFFFAOYSA-N -1 0 340.129 3.660 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000827589318 603526632 /nfs/dbraw/zinc/52/66/32/603526632.db2.gz GNLBIEOILMLZPE-VXGBXAGGSA-N -1 0 338.835 3.840 20 0 EHADRM CC(C)(CCC(=O)Nc1cc(-c2ccccc2)ns1)NC(=O)[O-] ZINC000823890196 603537861 /nfs/dbraw/zinc/53/78/61/603537861.db2.gz NDZOIKLDQKDPNN-UHFFFAOYSA-N -1 0 333.413 3.575 20 0 EHADRM Cc1cc(CNC(=O)[O-])ccc1N(C(=O)CCC(F)(F)F)C1CC1 ZINC000830041145 603541596 /nfs/dbraw/zinc/54/15/96/603541596.db2.gz HYENADCFLXGXBA-UHFFFAOYSA-N -1 0 344.333 3.601 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000829174074 603548756 /nfs/dbraw/zinc/54/87/56/603548756.db2.gz PKPDQQGDFNFSEY-UWVGGRQHSA-N -1 0 340.807 3.699 20 0 EHADRM CCSc1cccc(NC(=O)N(C)CC(C)(C)CNC(=O)[O-])c1 ZINC000827508379 603552752 /nfs/dbraw/zinc/55/27/52/603552752.db2.gz LNBFBOSSMFISHO-UHFFFAOYSA-N -1 0 339.461 3.556 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)Nc2cccc(NC3CCCC3)c2)C1 ZINC000832325104 603586274 /nfs/dbraw/zinc/58/62/74/603586274.db2.gz KCSOVKFXMSZCSX-HIFRSBDPSA-N -1 0 345.443 3.806 20 0 EHADRM CN(C(=O)Nc1cccc(-c2cccs2)c1)[C@H]1CCN(C(=O)[O-])C1 ZINC000827808963 603592335 /nfs/dbraw/zinc/59/23/35/603592335.db2.gz AQOICLJCRBPDQC-AWEZNQCLSA-N -1 0 345.424 3.631 20 0 EHADRM CC[C@H]1C[C@H](C)CN1C(=O)Nc1cccc(CN(CC)C(=O)[O-])c1 ZINC000826661792 603598770 /nfs/dbraw/zinc/59/87/70/603598770.db2.gz SYNZAKBRISSIPD-BBRMVZONSA-N -1 0 333.432 3.839 20 0 EHADRM C[C@@H](Oc1ccc(NC(=O)[O-])cc1)c1nc(Cc2ccccc2)no1 ZINC000736703793 603599003 /nfs/dbraw/zinc/59/90/03/603599003.db2.gz YSUCNSUNWSTBQG-GFCCVEGCSA-N -1 0 339.351 3.890 20 0 EHADRM CCN(CC1CCN(C(=O)Nc2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC000827074815 603605848 /nfs/dbraw/zinc/60/58/48/603605848.db2.gz HGVIWPARVIWJGE-UHFFFAOYSA-N -1 0 339.823 3.584 20 0 EHADRM Cc1c(F)cccc1NC(=O)N1CCC[C@H]([C@@H]2CCCN2C(=O)[O-])C1 ZINC000829872536 603610602 /nfs/dbraw/zinc/61/06/02/603610602.db2.gz XCIQWXUDMNVJBN-BBRMVZONSA-N -1 0 349.406 3.520 20 0 EHADRM CC[C@@H](NC(=O)N(C)C1CCC(NC(=O)[O-])CC1)c1ccc(C)cc1 ZINC000826600712 603612742 /nfs/dbraw/zinc/61/27/42/603612742.db2.gz KSADWEDFRPHVCI-OFLPRAFFSA-N -1 0 347.459 3.666 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)COc1cccc(NC(=O)[O-])c1 ZINC000830329273 603633755 /nfs/dbraw/zinc/63/37/55/603633755.db2.gz QAXWCXVBBGVCOP-UHFFFAOYSA-N -1 0 334.759 3.756 20 0 EHADRM C[C@H](CCOc1ccccc1)C(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000824811323 603637036 /nfs/dbraw/zinc/63/70/36/603637036.db2.gz YIZWSLYHFIIIOR-CQSZACIVSA-N -1 0 343.379 3.811 20 0 EHADRM CCc1ccccc1NC(=O)COc1cc(C)ccc1NC(=O)[O-] ZINC000827606093 603637245 /nfs/dbraw/zinc/63/72/45/603637245.db2.gz ZUCJRFHOBXLGMO-UHFFFAOYSA-N -1 0 328.368 3.665 20 0 EHADRM Cc1cc(-c2nc(-c3cccc(NC(=O)[O-])c3)no2)nn1C(C)(C)C ZINC000829889097 603642737 /nfs/dbraw/zinc/64/27/37/603642737.db2.gz MZZMCKLTOZWWPA-UHFFFAOYSA-N -1 0 341.371 3.753 20 0 EHADRM O=C([O-])N[C@H]1CC[C@@H](C(=O)Nc2ccccc2CCC(F)(F)F)C1 ZINC000832298035 603728968 /nfs/dbraw/zinc/72/89/68/603728968.db2.gz RAQBHUHHDKYVCI-NEPJUHHUSA-N -1 0 344.333 3.556 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738336220 603755609 /nfs/dbraw/zinc/75/56/09/603755609.db2.gz BRFTWWWIOOHZJS-UHFFFAOYSA-N -1 0 337.335 3.992 20 0 EHADRM CCc1ccc(CC)c(NC(=O)N2CCC[C@@H](CN(C)C(=O)[O-])C2)c1 ZINC000827582816 603814375 /nfs/dbraw/zinc/81/43/75/603814375.db2.gz AFSBGHDJBSQMHX-HNNXBMFYSA-N -1 0 347.459 3.665 20 0 EHADRM Cc1cccnc1C(=O)Nc1cc(C(F)(F)F)ccc1NC(=O)[O-] ZINC000830595150 603888567 /nfs/dbraw/zinc/88/85/67/603888567.db2.gz JPBYBLXRGKNDHV-UHFFFAOYSA-N -1 0 339.273 3.751 20 0 EHADRM C[C@@H](C(=O)N1CCC(N(C)C(=O)[O-])CC1)c1ccc2ccccc2c1 ZINC000823660759 603889256 /nfs/dbraw/zinc/88/92/56/603889256.db2.gz CXSJDWDKNDPFNG-CQSZACIVSA-N -1 0 340.423 3.544 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000826939164 603950875 /nfs/dbraw/zinc/95/08/75/603950875.db2.gz CBULRKFRSPSLFG-JQWIXIFHSA-N -1 0 340.807 3.504 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)N2Cc3ccccc3-c3ccccc32)C1 ZINC000832255306 603951771 /nfs/dbraw/zinc/95/17/71/603951771.db2.gz SRDWHPHLYSKHKR-DZGCQCFKSA-N -1 0 336.391 3.637 20 0 EHADRM C[C@@H]1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000825938731 603977028 /nfs/dbraw/zinc/97/70/28/603977028.db2.gz PHXYJHMXNPOPEQ-LCGQUYPVSA-N -1 0 348.487 3.725 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000829867386 603996893 /nfs/dbraw/zinc/99/68/93/603996893.db2.gz MHNPZOVKCCWLKF-LJQANCHMSA-N -1 0 348.443 3.639 20 0 EHADRM Cc1cnc([C@@H](C)NC(=O)c2ccc(NC(=O)[O-])cc2Cl)s1 ZINC000830624564 604011591 /nfs/dbraw/zinc/01/15/91/604011591.db2.gz JMOYXJLYMADWKT-MRVPVSSYSA-N -1 0 339.804 3.686 20 0 EHADRM CC(C)C[C@@H](NC(=O)N(C)C1CCN(C(=O)[O-])CC1)c1ccccc1 ZINC000824204224 604020957 /nfs/dbraw/zinc/02/09/57/604020957.db2.gz PBIQCYODGVHRHU-QGZVFWFLSA-N -1 0 347.459 3.558 20 0 EHADRM CC(C)c1ccc([C@H](C)NC(=O)N(C)C2CCN(C(=O)[O-])CC2)cc1 ZINC000824463922 604021233 /nfs/dbraw/zinc/02/12/33/604021233.db2.gz NNPMINNJLYUEIG-AWEZNQCLSA-N -1 0 347.459 3.655 20 0 EHADRM COc1cc(NC(=O)/C=C\SCc2ccco2)ccc1NC(=O)[O-] ZINC000829154050 604042545 /nfs/dbraw/zinc/04/25/45/604042545.db2.gz TWQOIFGJVQIUEG-VURMDHGXSA-N -1 0 348.380 3.764 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@H]([C@H](C)NC(=O)[O-])C2)cc1Cl ZINC000830383105 604062183 /nfs/dbraw/zinc/06/21/83/604062183.db2.gz WOAXXHFNFCTHGP-RYUDHWBXSA-N -1 0 339.823 3.548 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)N3CCC4(CCC4)C3)ccc21 ZINC000831773544 604085262 /nfs/dbraw/zinc/08/52/62/604085262.db2.gz XJLQKPOPXZLSSL-UHFFFAOYSA-N -1 0 329.400 3.525 20 0 EHADRM O=C([O-])NC1(CC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)CCC1 ZINC000832198635 604085778 /nfs/dbraw/zinc/08/57/78/604085778.db2.gz CSMJFEGAJAQYEU-AWEZNQCLSA-N -1 0 336.819 3.584 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N1CC[C@@](C)(CC)C1)C(=O)[O-] ZINC000827182232 604089078 /nfs/dbraw/zinc/08/90/78/604089078.db2.gz HMMQYOUKYKQIKA-GOSISDBHSA-N -1 0 333.432 3.840 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N1CC[C@@H](C(C)C)C1 ZINC000829175097 604237781 /nfs/dbraw/zinc/23/77/81/604237781.db2.gz XWLFRBSTCSOECO-SNVBAGLBSA-N -1 0 340.807 3.557 20 0 EHADRM CO[C@H](C)c1nc(C)c(C(=O)Nc2ccccc2NC(=O)[O-])s1 ZINC000828828393 604243743 /nfs/dbraw/zinc/24/37/43/604243743.db2.gz AEULOKITWLEONH-SECBINFHSA-N -1 0 335.385 3.501 20 0 EHADRM C[C@H]1CCCC[C@@H]1CC(=O)N1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000825897387 604245394 /nfs/dbraw/zinc/24/53/94/604245394.db2.gz WNTATGMITZRCEJ-GOEBONIOSA-N -1 0 336.476 3.584 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000738164152 604268417 /nfs/dbraw/zinc/26/84/17/604268417.db2.gz TZQUQDCVGPZRHU-GFCCVEGCSA-N -1 0 340.423 3.700 20 0 EHADRM CCCN(Cc1ccc(F)cc1)C(=O)c1c(C)[nH]c(C(=O)[O-])c1C ZINC000829496612 604276946 /nfs/dbraw/zinc/27/69/46/604276946.db2.gz LBGBTFOEFTWFOL-UHFFFAOYSA-N -1 0 332.375 3.521 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NC1CCC(c2ccccc2)CC1 ZINC000832844611 604277414 /nfs/dbraw/zinc/27/74/14/604277414.db2.gz GXXJVZKWXADXHG-UHFFFAOYSA-N -1 0 340.423 3.786 20 0 EHADRM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)C(C)(C)CNC(=O)[O-] ZINC000830084285 604278664 /nfs/dbraw/zinc/27/86/64/604278664.db2.gz IQLCCFFODUZTPX-CQSZACIVSA-N -1 0 347.459 3.606 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)c1ccc(F)c(Cl)c1 ZINC000322116813 604284468 /nfs/dbraw/zinc/28/44/68/604284468.db2.gz YPMPPRNZTDFONX-UHFFFAOYSA-N -1 0 333.746 3.770 20 0 EHADRM C[C@H](CC(=O)N(C)[C@@H](C)c1ccccc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824550741 604294415 /nfs/dbraw/zinc/29/44/15/604294415.db2.gz IBQBUWAYJVSHLS-HLLBOEOZSA-N -1 0 332.444 3.622 20 0 EHADRM C[C@H](CC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1)c1ccncc1 ZINC000824684989 604294536 /nfs/dbraw/zinc/29/45/36/604294536.db2.gz HWTXLVMAFUTTCD-CHWSQXEVSA-N -1 0 327.384 3.543 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@@H](C)CC(C)(C)c1ccccc1 ZINC000832845040 604295090 /nfs/dbraw/zinc/29/50/90/604295090.db2.gz SEWWSYVYXBDMMX-LBPRGKRZSA-N -1 0 342.439 3.816 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])c(F)c2)[C@@H](c2ccco2)C1 ZINC000828285747 604295835 /nfs/dbraw/zinc/29/58/35/604295835.db2.gz PSDOWSLPGYXNGI-XHDPSFHLSA-N -1 0 331.343 3.730 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2ccccc2CC(=O)[O-])c(C)c1 ZINC000832952564 604301088 /nfs/dbraw/zinc/30/10/88/604301088.db2.gz SFJKSHKRLNMIPK-UHFFFAOYSA-N -1 0 341.407 3.728 20 0 EHADRM Cc1cccc(OC(F)F)c1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000832973043 604302802 /nfs/dbraw/zinc/30/28/02/604302802.db2.gz ONWIYBDWBIWZGP-UHFFFAOYSA-N -1 0 339.269 3.686 20 0 EHADRM CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000829056577 604323101 /nfs/dbraw/zinc/32/31/01/604323101.db2.gz YEYRPVVYSFRCAS-LSDHHAIUSA-N -1 0 349.431 3.834 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])c(F)c2)c2cc(Cl)ccc2O1 ZINC000828393035 604328094 /nfs/dbraw/zinc/32/80/94/604328094.db2.gz GBBMMLCRKQDBTA-SECBINFHSA-N -1 0 349.745 3.605 20 0 EHADRM COc1ccc(CNC(=O)Nc2cc(NC(=O)[O-])ccc2F)c(C)c1 ZINC000829388809 604342428 /nfs/dbraw/zinc/34/24/28/604342428.db2.gz ADPFIYHNPZBBSD-UHFFFAOYSA-N -1 0 347.346 3.554 20 0 EHADRM Cc1cc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c(C)s1 ZINC000832863962 604381871 /nfs/dbraw/zinc/38/18/71/604381871.db2.gz YUDCZJUVFFEAFS-HNNXBMFYSA-N -1 0 331.437 3.947 20 0 EHADRM C[C@@H](C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])c1ccccc1F ZINC000825996303 604382477 /nfs/dbraw/zinc/38/24/77/604382477.db2.gz YKUDEXIKGNENTG-CXAGYDPISA-N -1 0 343.398 3.898 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1C ZINC000832911386 604383460 /nfs/dbraw/zinc/38/34/60/604383460.db2.gz OXWAKKVLIAGBLI-KRWDZBQOSA-N -1 0 325.408 3.885 20 0 EHADRM COc1cccc(C[C@@H](OC(=O)[C@H](C)CC(=O)[O-])c2ccccc2)c1 ZINC000832546018 604415153 /nfs/dbraw/zinc/41/51/53/604415153.db2.gz RWXYKXALFDDZCZ-RDTXWAMCSA-N -1 0 342.391 3.633 20 0 EHADRM C[C@@H](CCSc1ccccc1)OC(=O)c1ccc(C(=O)[O-])nc1 ZINC000827422291 604425438 /nfs/dbraw/zinc/42/54/38/604425438.db2.gz OKYSNPUVEUUISY-LBPRGKRZSA-N -1 0 331.393 3.508 20 0 EHADRM CCCOc1cccc(CC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000829537723 604437246 /nfs/dbraw/zinc/43/72/46/604437246.db2.gz BTKRKTYPJQKJSG-UHFFFAOYSA-N -1 0 346.358 3.886 20 0 EHADRM CCCOc1cccc(CC(=O)OCc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000829541432 604445576 /nfs/dbraw/zinc/44/55/76/604445576.db2.gz NFWBFSXOQPTLAZ-UHFFFAOYSA-N -1 0 346.354 3.599 20 0 EHADRM C/C(=C\CN(Cc1nnc(-c2ccccc2Cl)o1)C(C)C)C(=O)[O-] ZINC000833385702 604477515 /nfs/dbraw/zinc/47/75/15/604477515.db2.gz XDKHXHTVJCOOFI-XYOKQWHBSA-N -1 0 349.818 3.631 20 0 EHADRM C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000828521136 604497446 /nfs/dbraw/zinc/49/74/46/604497446.db2.gz HOMXJTYKFGQURX-VIFPVBQESA-N -1 0 334.372 3.737 20 0 EHADRM Cc1ccccc1[C@@H]1CCN(C(=O)Nc2cc(C(=O)[O-])cs2)C1 ZINC000832977448 604512479 /nfs/dbraw/zinc/51/24/79/604512479.db2.gz KNWNOBLLQXFNOV-GFCCVEGCSA-N -1 0 330.409 3.776 20 0 EHADRM C[C@H](CNC(=O)Nc1cc(C(=O)[O-])cs1)Sc1ccccc1 ZINC000827478597 604518339 /nfs/dbraw/zinc/51/83/39/604518339.db2.gz SJDKUJVUNRCFJD-SNVBAGLBSA-N -1 0 336.438 3.749 20 0 EHADRM CC[C@H](c1ccncc1)N(CC)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000829033609 604518366 /nfs/dbraw/zinc/51/83/66/604518366.db2.gz QXLHAIKIAKGPCS-CYBMUJFWSA-N -1 0 333.413 3.846 20 0 EHADRM O=C([O-])c1csc(NC(=O)N2CCSC[C@H]2c2ccccc2)c1 ZINC000833342933 604520130 /nfs/dbraw/zinc/52/01/30/604520130.db2.gz TWXYCAMXQQHIJN-ZDUSSCGKSA-N -1 0 348.449 3.768 20 0 EHADRM CC[C@H]1CCCN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000829125134 604522992 /nfs/dbraw/zinc/52/29/92/604522992.db2.gz GCUFRXJDYCCXBT-HOCLYGCPSA-N -1 0 332.444 3.670 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)N1C2CCCC1CCC2)c1ccccc1 ZINC000826089710 604535593 /nfs/dbraw/zinc/53/55/93/604535593.db2.gz NAOKSBRVESEQFK-JCYILVPMSA-N -1 0 344.455 3.955 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)COc2ccc(Cl)cc2)oc1C(=O)[O-] ZINC000832870658 604546574 /nfs/dbraw/zinc/54/65/74/604546574.db2.gz BGCKQVKFLKZZRA-SNVBAGLBSA-N -1 0 338.743 3.623 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1ccc(C(C)C)nc1)c1ccccc1 ZINC000828594645 604551029 /nfs/dbraw/zinc/55/10/29/604551029.db2.gz ISAWBWFLMBBRMA-QGZVFWFLSA-N -1 0 326.396 3.715 20 0 EHADRM Cc1c(F)cccc1NC(=O)NCc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000829871484 604553444 /nfs/dbraw/zinc/55/34/44/604553444.db2.gz APTWDRWMLWJSLX-GFCCVEGCSA-N -1 0 345.374 3.784 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2c[nH]nc2-c2ccccc2)oc1C(=O)[O-] ZINC000832874883 604560620 /nfs/dbraw/zinc/56/06/20/604560620.db2.gz LRQANKHQTTVYTO-LLVKDONJSA-N -1 0 340.335 3.594 20 0 EHADRM C/C(=C\C(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccccc1C(F)(F)F ZINC000825716287 604564903 /nfs/dbraw/zinc/56/49/03/604564903.db2.gz BOPYJUFASXOJBJ-LMMOQWNQSA-N -1 0 341.329 3.574 20 0 EHADRM Cc1cc([C@H](C)OC(=O)C(F)(F)c2ccc(F)cc2)oc1C(=O)[O-] ZINC000832873944 604575414 /nfs/dbraw/zinc/57/54/14/604575414.db2.gz JELGNJXFQVLXLW-VIFPVBQESA-N -1 0 342.269 3.822 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)Cc2c[nH]c3c2cccc3C)oc1C(=O)[O-] ZINC000832872519 604589545 /nfs/dbraw/zinc/58/95/45/604589545.db2.gz PPLJIXXTWITTJK-GFCCVEGCSA-N -1 0 341.363 3.923 20 0 EHADRM CC(C)CSCCCNC(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000833491312 604591937 /nfs/dbraw/zinc/59/19/37/604591937.db2.gz DGLZMRRYECDFIM-UHFFFAOYSA-N -1 0 339.461 3.702 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2c[nH]c3ccc(F)cc32)oc1C(=O)[O-] ZINC000832874415 604602405 /nfs/dbraw/zinc/60/24/05/604602405.db2.gz JQVDUBKZCLDPEC-SECBINFHSA-N -1 0 331.299 3.825 20 0 EHADRM CC1(C)C[C@H](NC(=O)N2CCC(CCC(=O)[O-])CC2)c2ccccc21 ZINC000659399975 604624542 /nfs/dbraw/zinc/62/45/42/604624542.db2.gz JROWBASUYGUACG-KRWDZBQOSA-N -1 0 344.455 3.695 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)N3CCC[C@@H]3CC(=O)[O-])cc2s1 ZINC000827153283 604624814 /nfs/dbraw/zinc/62/48/14/604624814.db2.gz QMBARVVUODMPKS-GFCCVEGCSA-N -1 0 347.440 3.891 20 0 EHADRM CN(c1ccccc1NC(=O)N1CCC[C@H]1CC(=O)[O-])C1CCCC1 ZINC000830888393 604637938 /nfs/dbraw/zinc/63/79/38/604637938.db2.gz PVHSKVDZWQMMRS-HNNXBMFYSA-N -1 0 345.443 3.536 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2ccn(-c3ccc(Cl)cc3)n2)c1 ZINC000833784595 604645471 /nfs/dbraw/zinc/64/54/71/604645471.db2.gz DIJNLQYMSZJDIA-UHFFFAOYSA-N -1 0 347.783 3.538 20 0 EHADRM O=C([O-])Nc1ccc(OCc2nc(-c3ccc(F)c(F)c3)no2)cc1 ZINC000833290758 604650259 /nfs/dbraw/zinc/65/02/59/604650259.db2.gz ROPYXIIQFIPLNZ-UHFFFAOYSA-N -1 0 347.277 3.684 20 0 EHADRM C[C@H](OC(=O)c1ccccc1S[C@@H](C)C(=O)[O-])c1ccncc1 ZINC000833544247 604655198 /nfs/dbraw/zinc/65/51/98/604655198.db2.gz DCFGWHUYQRWNFZ-RYUDHWBXSA-N -1 0 331.393 3.565 20 0 EHADRM CCC(CC)n1nccc1C(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC000828874471 604660717 /nfs/dbraw/zinc/66/07/17/604660717.db2.gz INTUONQWPXZYET-UHFFFAOYSA-N -1 0 347.390 3.505 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000566604467 604670738 /nfs/dbraw/zinc/67/07/38/604670738.db2.gz LJRROVYIDPIDED-AWEZNQCLSA-N -1 0 340.423 3.516 20 0 EHADRM Cc1ccc(C(=O)NCCCCC(=O)[O-])c(Sc2ccccc2)n1 ZINC000832911446 604678442 /nfs/dbraw/zinc/67/84/42/604678442.db2.gz FVKKEZZYCVHVLF-UHFFFAOYSA-N -1 0 344.436 3.526 20 0 EHADRM CCc1cc(C)c(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])o1 ZINC000345772025 604694528 /nfs/dbraw/zinc/69/45/28/604694528.db2.gz GEMLNZSGPOHIPD-AWEZNQCLSA-N -1 0 329.396 3.514 20 0 EHADRM CC(=O)Nc1ccc(Cl)c(C(=O)Oc2ccc(C)cc2C(=O)[O-])c1 ZINC000825902816 604700361 /nfs/dbraw/zinc/70/03/61/604700361.db2.gz FIGDDIFEDCIYOP-UHFFFAOYSA-N -1 0 347.754 3.524 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(F)c(Cl)c1)c1ccccc1 ZINC000826044103 604703894 /nfs/dbraw/zinc/70/38/94/604703894.db2.gz CBJRXDBNPSPCSN-ZUZCIYMTSA-N -1 0 335.762 3.671 20 0 EHADRM CC(C)(C)SCCCC(=O)OCc1ccc(C(=O)[O-])cc1F ZINC000833447069 604711271 /nfs/dbraw/zinc/71/12/71/604711271.db2.gz NEYFQXYYYNOCJD-UHFFFAOYSA-N -1 0 328.405 3.879 20 0 EHADRM CC1(C)CN(C(=O)CCc2ccccc2C(=O)[O-])[C@H]1c1ccccc1 ZINC000833560363 604719787 /nfs/dbraw/zinc/71/97/87/604719787.db2.gz QRUSXXVIMITRFB-IBGZPJMESA-N -1 0 337.419 3.927 20 0 EHADRM CC(C)N(Cc1ccccc1F)C(=O)CCc1ccccc1C(=O)[O-] ZINC000833499096 604724851 /nfs/dbraw/zinc/72/48/51/604724851.db2.gz RIPIUAJDUNPWTJ-UHFFFAOYSA-N -1 0 343.398 3.894 20 0 EHADRM CCCN(C(=O)Cc1cccc(C(=O)[O-])c1)[C@H]1CCc2ccccc21 ZINC000833651529 604725615 /nfs/dbraw/zinc/72/56/15/604725615.db2.gz OFUCLFBFFINYNO-IBGZPJMESA-N -1 0 337.419 3.853 20 0 EHADRM C/C(=C\c1cccc(Cl)c1)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000761579592 604736229 /nfs/dbraw/zinc/73/62/29/604736229.db2.gz ZPWQQISJZJWYGA-TYZQSYOASA-N -1 0 329.783 3.685 20 0 EHADRM CC[C@@](C)(NC(=O)CCc1ccccc1C(=O)[O-])c1ccccc1 ZINC000777360853 604740401 /nfs/dbraw/zinc/74/04/01/604740401.db2.gz ROZBSJCMFLLIFG-HXUWFJFHSA-N -1 0 325.408 3.759 20 0 EHADRM C[C@H](CC(=O)N([C@@H](C)c1ccco1)C1CC1)C1CCN(C(=O)[O-])CC1 ZINC000824558234 604743274 /nfs/dbraw/zinc/74/32/74/604743274.db2.gz MGBCRJCPBMULSX-KGLIPLIRSA-N -1 0 348.443 3.748 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)/C=C/c2ccc(Cl)nc2)cc1 ZINC000833418309 604761052 /nfs/dbraw/zinc/76/10/52/604761052.db2.gz GNQADQMBQOWBBR-ONNFQVAWSA-N -1 0 344.798 3.749 20 0 EHADRM CC(C)CC(C)(C)C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000826759906 604785011 /nfs/dbraw/zinc/78/50/11/604785011.db2.gz VEYPITHAKNOENZ-UHFFFAOYSA-N -1 0 346.471 3.860 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)Cc1ccccc1C(=O)[O-] ZINC000630295365 604790083 /nfs/dbraw/zinc/79/00/83/604790083.db2.gz RHRAIVWBMPSLKM-SPYBWZPUSA-N -1 0 337.419 3.720 20 0 EHADRM CC[C@H](CC(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1)C(C)C ZINC000828770192 604790133 /nfs/dbraw/zinc/79/01/33/604790133.db2.gz FQFFTFPDAWSWQU-OAHLLOKOSA-N -1 0 346.471 3.860 20 0 EHADRM C[C@@H](OC(=O)CN(C)C(=O)[O-])c1ccc(Cl)c(C(F)(F)F)c1 ZINC000833529814 604791007 /nfs/dbraw/zinc/79/10/07/604791007.db2.gz QVXRXFDIBSQZOS-SSDOTTSWSA-N -1 0 339.697 3.573 20 0 EHADRM Cc1cccc(C2=CCN(C(=O)CCc3ccccc3C(=O)[O-])CC2)c1 ZINC000262754294 604815660 /nfs/dbraw/zinc/81/56/60/604815660.db2.gz KEKUIEYRVLKCAJ-UHFFFAOYSA-N -1 0 349.430 3.942 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)C[C@H](C)C2CCN(C(=O)[O-])CC2)c1 ZINC000828830875 604816196 /nfs/dbraw/zinc/81/61/96/604816196.db2.gz NFBQXFUNQKMPQJ-UONOGXRCSA-N -1 0 348.443 3.749 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)C[C@@H](C)C2CCN(C(=O)[O-])CC2)c1 ZINC000828830876 604816426 /nfs/dbraw/zinc/81/64/26/604816426.db2.gz NFBQXFUNQKMPQJ-ZIAGYGMSSA-N -1 0 348.443 3.749 20 0 EHADRM Cc1cc(NC(=O)c2ccc3nc(C)ccc3c2)sc1C(=O)[O-] ZINC000832961962 604817246 /nfs/dbraw/zinc/81/72/46/604817246.db2.gz KORJPXTWWUYYGX-UHFFFAOYSA-N -1 0 326.377 3.864 20 0 EHADRM Cc1ccc2cc(C(=O)N(CCC(=O)[O-])Cc3ccccc3)ccc2n1 ZINC000832959659 604817645 /nfs/dbraw/zinc/81/76/45/604817645.db2.gz JJEUIFAUQOUHRX-UHFFFAOYSA-N -1 0 348.402 3.660 20 0 EHADRM CC(C)N(C)c1ccc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1F ZINC000826935953 604818847 /nfs/dbraw/zinc/81/88/47/604818847.db2.gz PKGHABPYWNVUTR-UHFFFAOYSA-N -1 0 348.349 3.760 20 0 EHADRM C[C@]1(c2ccccc2)CCCN(C(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC000828128067 604821367 /nfs/dbraw/zinc/82/13/67/604821367.db2.gz NJGUGPVXJZLJBB-FQEVSTJZSA-N -1 0 341.382 3.718 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)c2ccc(C(=O)[O-])c(F)c2)c(C)c1 ZINC000832928865 604822355 /nfs/dbraw/zinc/82/23/55/604822355.db2.gz LBQOHNBTSPKHOP-ZDUSSCGKSA-N -1 0 329.371 3.502 20 0 EHADRM CC[C@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)c1cc(F)ccc1F ZINC000828971598 604824077 /nfs/dbraw/zinc/82/40/77/604824077.db2.gz QFYILMZVNLGBFR-HNNXBMFYSA-N -1 0 337.297 3.683 20 0 EHADRM Cc1sc2ncnc(N3CCc4ccc(C(=O)[O-])cc4C3)c2c1C ZINC000325342485 604834090 /nfs/dbraw/zinc/83/40/90/604834090.db2.gz JAXAHYLHJMKRTL-UHFFFAOYSA-N -1 0 339.420 3.569 20 0 EHADRM Cc1cc(F)ccc1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000431666365 604837721 /nfs/dbraw/zinc/83/77/21/604837721.db2.gz SVYNUCJWZWUMNU-UHFFFAOYSA-N -1 0 333.384 3.704 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)[C@@H]1CCCc2sccc21 ZINC000683296735 604839125 /nfs/dbraw/zinc/83/91/25/604839125.db2.gz GAQSJNPHHSGXCL-MRXNPFEDSA-N -1 0 343.448 3.672 20 0 EHADRM C[C@H](OC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ncc(C(C)(C)C)o1 ZINC000827854276 604855999 /nfs/dbraw/zinc/85/59/99/604855999.db2.gz UOJDMKSGCCSTJL-VIFPVBQESA-N -1 0 335.331 3.727 20 0 EHADRM CCc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000830228730 604856597 /nfs/dbraw/zinc/85/65/97/604856597.db2.gz CINWXQHQQAAADC-LLVKDONJSA-N -1 0 344.338 3.515 20 0 EHADRM CC(C)c1ccc([C@H]2CCCN2C(=O)CCCN(C)C(=O)[O-])cc1 ZINC000833510406 604864219 /nfs/dbraw/zinc/86/42/19/604864219.db2.gz VETLVASUCHQHRB-QGZVFWFLSA-N -1 0 332.444 3.864 20 0 EHADRM CC1(C)CC(C)(C)c2cc(NC(=O)N3CC[C@@](F)(C(=O)[O-])C3)ccc21 ZINC000833556695 604864528 /nfs/dbraw/zinc/86/45/28/604864528.db2.gz YOVIVNVKQJPLIX-IBGZPJMESA-N -1 0 348.418 3.676 20 0 EHADRM COc1ccc2oc(C)c(C(=O)N(C)C3(C(=O)[O-])CCCCC3)c2c1 ZINC000833735024 604867499 /nfs/dbraw/zinc/86/74/99/604867499.db2.gz QWVDWWNVHZGAMC-UHFFFAOYSA-N -1 0 345.395 3.609 20 0 EHADRM C[C@@H](OC(=O)c1cnccc1C(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000827874371 604873947 /nfs/dbraw/zinc/87/39/47/604873947.db2.gz ZIFBSLLAVLNZHR-GFCCVEGCSA-N -1 0 327.380 3.995 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(c2ncnc3cc(Cl)ccc32)C1 ZINC000649405905 604874386 /nfs/dbraw/zinc/87/43/86/604874386.db2.gz TVUSYQXSUIKSCS-LLVKDONJSA-N -1 0 333.819 3.610 20 0 EHADRM CC(C)c1nc(C(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)cs1 ZINC000833513026 604875955 /nfs/dbraw/zinc/87/59/55/604875955.db2.gz YXNBDYQCUFGAHO-UHFFFAOYSA-N -1 0 337.426 3.551 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)[O-] ZINC000833423546 604877015 /nfs/dbraw/zinc/87/70/15/604877015.db2.gz NLPFNPBAEKMQIF-SNVBAGLBSA-N -1 0 337.725 3.588 20 0 EHADRM CC(C)(C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1)c1cccs1 ZINC000833411282 604877311 /nfs/dbraw/zinc/87/73/11/604877311.db2.gz AEHZXFVTBWBXQV-UHFFFAOYSA-N -1 0 336.438 3.697 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@H]1CCCc2sccc21)c1ccc(Cl)cc1 ZINC000431814980 604882758 /nfs/dbraw/zinc/88/27/58/604882758.db2.gz QKXRPVIUDJGJNO-ZFWWWQNUSA-N -1 0 349.839 3.764 20 0 EHADRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])c(F)c1)c1cnc2ccccc2c1 ZINC000827851122 604883077 /nfs/dbraw/zinc/88/30/77/604883077.db2.gz AERQTRRHCASBEM-LLVKDONJSA-N -1 0 339.322 3.990 20 0 EHADRM C[C@H]1CCc2c(C(=O)N3CCC[C@@H](C(C)(C)C(=O)[O-])C3)csc2C1 ZINC000392018717 604889983 /nfs/dbraw/zinc/88/99/83/604889983.db2.gz XGYSOOLRGJISAY-QWHCGFSZSA-N -1 0 349.496 3.836 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccccc1F ZINC000679101807 604894271 /nfs/dbraw/zinc/89/42/71/604894271.db2.gz OGZCERQYZMRZSX-ZIAGYGMSSA-N -1 0 335.419 3.669 20 0 EHADRM CC(C)CC(C)(C)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000192900856 604902418 /nfs/dbraw/zinc/90/24/18/604902418.db2.gz UNSZFLWQRMZWGV-UHFFFAOYSA-N -1 0 327.808 3.814 20 0 EHADRM CCC(=O)c1cccc(NC(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)c1 ZINC000828580713 604906732 /nfs/dbraw/zinc/90/67/32/604906732.db2.gz QPKAJHYKIZBUCD-UHFFFAOYSA-N -1 0 344.367 3.543 20 0 EHADRM CCN(C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)[C@@H](C)C(C)C ZINC000829601860 604915970 /nfs/dbraw/zinc/91/59/70/604915970.db2.gz BMWHJAWLDICBRZ-NSHDSACASA-N -1 0 342.823 3.702 20 0 EHADRM CCc1nc(C2(NC(=O)c3ccccc3)CCCC2)sc1C(=O)[O-] ZINC000833673192 604924370 /nfs/dbraw/zinc/92/43/70/604924370.db2.gz HZZJAUPSKZCXND-UHFFFAOYSA-N -1 0 344.436 3.603 20 0 EHADRM CC(C)CN(CCc1ccccc1)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000826881404 604927993 /nfs/dbraw/zinc/92/79/93/604927993.db2.gz RRRXFBCEANLUHX-UHFFFAOYSA-N -1 0 343.398 3.865 20 0 EHADRM Cc1cc(F)cc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)c1 ZINC000262208130 604934087 /nfs/dbraw/zinc/93/40/87/604934087.db2.gz WPSGDWJRBZAQSW-UHFFFAOYSA-N -1 0 329.371 3.641 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2cccc3cc[nH]c32)cc1Cl ZINC000238006887 604941366 /nfs/dbraw/zinc/94/13/66/604941366.db2.gz QCTIQKQQDVDXKT-UHFFFAOYSA-N -1 0 344.754 3.537 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NCc1noc(C2CCCCC2)n1)c1ccccc1 ZINC000833407344 604954802 /nfs/dbraw/zinc/95/48/02/604954802.db2.gz NGRBWOQDHSYWPM-CXAGYDPISA-N -1 0 343.427 3.669 20 0 EHADRM C[C@]1(NC(=O)c2ccc(F)cc2C(F)(F)F)CCCC[C@H]1C(=O)[O-] ZINC000833566809 604958341 /nfs/dbraw/zinc/95/83/41/604958341.db2.gz AIXYXSJDCFNCNZ-NHYWBVRUSA-N -1 0 347.308 3.608 20 0 EHADRM COc1cc2ccccc2cc1C(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000833730312 604958954 /nfs/dbraw/zinc/95/89/54/604958954.db2.gz SBSGBJJEXNMWTJ-UZLBHIALSA-N -1 0 341.407 3.612 20 0 EHADRM Cc1nc2ccccc2nc1COc1ccc(C(=O)[O-])cc1Cl ZINC000833756906 604969836 /nfs/dbraw/zinc/96/98/36/604969836.db2.gz RIOKWHJQSVUPQA-UHFFFAOYSA-N -1 0 328.755 3.869 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=S)Nc1ccc(Cl)cc1Cl ZINC000833211445 604972427 /nfs/dbraw/zinc/97/24/27/604972427.db2.gz YZPZZOCGDBRCFJ-SECBINFHSA-N -1 0 333.240 3.629 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=S)Nc1ccc(Cl)cc1Cl ZINC000833211447 604972555 /nfs/dbraw/zinc/97/25/55/604972555.db2.gz YZPZZOCGDBRCFJ-VIFPVBQESA-N -1 0 333.240 3.629 20 0 EHADRM CC(C)[C@@H](OC(=O)CCNC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000833472690 604977303 /nfs/dbraw/zinc/97/73/03/604977303.db2.gz MLUHDQXGIRCZJY-CYBMUJFWSA-N -1 0 333.306 3.603 20 0 EHADRM CC(C)[C@H](OC(=O)[C@H](C)NC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000833471263 604983794 /nfs/dbraw/zinc/98/37/94/604983794.db2.gz FSVSMTPSODZAPO-CABZTGNLSA-N -1 0 333.306 3.602 20 0 EHADRM COc1ccc(N[C@@H](C(=O)[O-])c2cccnc2)cc1Cc1ccccc1 ZINC000832408632 604989029 /nfs/dbraw/zinc/98/90/29/604989029.db2.gz YELOMBSANDXNAS-HXUWFJFHSA-N -1 0 348.402 3.919 20 0 EHADRM CCc1nc(NC(=O)CC[C@H](C)c2ccccc2)sc1C(=O)[O-] ZINC000833675835 604993870 /nfs/dbraw/zinc/99/38/70/604993870.db2.gz IASQOMXIGYBMNB-NSHDSACASA-N -1 0 332.425 3.926 20 0 EHADRM CCc1nc(NC(=O)C(C)(C)Cc2ccccc2)sc1C(=O)[O-] ZINC000833673537 604996317 /nfs/dbraw/zinc/99/63/17/604996317.db2.gz JCLHALIPOLWOLJ-UHFFFAOYSA-N -1 0 332.425 3.611 20 0 EHADRM CCc1nc(NC(=O)c2oc3c(cccc3F)c2C)sc1C(=O)[O-] ZINC000833674556 604999427 /nfs/dbraw/zinc/99/94/27/604999427.db2.gz DCNPLCXCNJCHFY-UHFFFAOYSA-N -1 0 348.355 3.850 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000777401063 604999460 /nfs/dbraw/zinc/99/94/60/604999460.db2.gz REJHJHMFDIRMCK-HVCHUGMYSA-N -1 0 333.403 3.578 20 0 EHADRM CCc1nc(NC(=O)c2sccc2-n2cccc2)sc1C(=O)[O-] ZINC000833674930 605007386 /nfs/dbraw/zinc/00/73/86/605007386.db2.gz HJSIPSMRWDGAPQ-UHFFFAOYSA-N -1 0 347.421 3.508 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000832915967 605011376 /nfs/dbraw/zinc/01/13/76/605011376.db2.gz KGIHNMIJUJHGIF-CGTJXYLNSA-N -1 0 336.391 3.543 20 0 EHADRM CC(C)n1cccc1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000833513179 605039623 /nfs/dbraw/zinc/03/96/23/605039623.db2.gz BCSRBDDDBNCQMS-UHFFFAOYSA-N -1 0 332.425 3.639 20 0 EHADRM C[C@H](c1nc(-c2ccccc2)no1)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000833550455 605047801 /nfs/dbraw/zinc/04/78/01/605047801.db2.gz MGQJXHDFLRLHCP-CYBMUJFWSA-N -1 0 337.379 3.628 20 0 EHADRM C[C@]1(CNC(=O)c2cccc(NC(=O)[O-])c2)CCCc2ccccc21 ZINC000833563368 605065551 /nfs/dbraw/zinc/06/55/51/605065551.db2.gz JKIFDFGTXXEUQQ-HXUWFJFHSA-N -1 0 338.407 3.801 20 0 EHADRM C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000833551293 605071423 /nfs/dbraw/zinc/07/14/23/605071423.db2.gz SAAUPXCUJILSAB-QFYYESIMSA-N -1 0 338.766 3.555 20 0 EHADRM C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000833551288 605072358 /nfs/dbraw/zinc/07/23/58/605072358.db2.gz SAAUPXCUJILSAB-HWPZZCPQSA-N -1 0 338.766 3.555 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000191031491 605073313 /nfs/dbraw/zinc/07/33/13/605073313.db2.gz PVMJOYOYDCNIEH-CQSZACIVSA-N -1 0 345.361 3.658 20 0 EHADRM C[C@@]1(CCc2ccccc2)CCN(C(=O)C2CCC(C(=O)[O-])CC2)C1 ZINC000262731721 605089477 /nfs/dbraw/zinc/08/94/77/605089477.db2.gz AZZWMFXCIGZPQE-WIXQSORDSA-N -1 0 343.467 3.749 20 0 EHADRM C[C@@H]1CC[C@]2(CCN(C(=O)NCCc3ccc(NC(=O)[O-])cc3)C2)C1 ZINC000833610223 605089966 /nfs/dbraw/zinc/08/99/66/605089966.db2.gz JSZCURHPAYKEBP-KUHUBIRLSA-N -1 0 345.443 3.541 20 0 EHADRM C[C@H]1CC[C@@]2(CCN(C(=O)Nc3ccc(N(C)C(=O)[O-])cc3)C2)C1 ZINC000833609078 605093209 /nfs/dbraw/zinc/09/32/09/605093209.db2.gz DXQFHAUJFUFWNI-SCLBCKFNSA-N -1 0 331.416 3.845 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Oc1ccc(Br)cc1Cl ZINC000833455297 605096114 /nfs/dbraw/zinc/09/61/14/605096114.db2.gz NUZNEPBRXSGVBX-UHFFFAOYSA-N -1 0 349.608 3.899 20 0 EHADRM CC(C)(CNC(=O)C1CCC(C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000194404785 605106291 /nfs/dbraw/zinc/10/62/91/605106291.db2.gz VCVQGUCIEOIFIN-UHFFFAOYSA-N -1 0 337.847 3.625 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000833454838 605112244 /nfs/dbraw/zinc/11/22/44/605112244.db2.gz UTNKXKJKPLJJRE-UHFFFAOYSA-N -1 0 332.444 3.897 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2ccc(OC3CCC3)c(F)c2)CC1 ZINC000194434298 605114520 /nfs/dbraw/zinc/11/45/20/605114520.db2.gz ZIPRKCGTKQMANQ-UHFFFAOYSA-N -1 0 335.375 3.587 20 0 EHADRM C[C@@H](NCc1cc(C(=O)[O-])co1)c1ccc(F)c(Br)c1 ZINC000833739182 605136614 /nfs/dbraw/zinc/13/66/14/605136614.db2.gz OTBNBUZBRYDXLH-MRVPVSSYSA-N -1 0 342.164 3.730 20 0 EHADRM O=C([O-])[C@@H]1CCCN1C(=O)CCCCc1ccc(Cl)c(Cl)c1 ZINC000833772415 605146003 /nfs/dbraw/zinc/14/60/03/605146003.db2.gz DUAGQVJIYOGCOX-AWEZNQCLSA-N -1 0 344.238 3.782 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)C1CCC(C(=O)[O-])CC1 ZINC000630294218 605150564 /nfs/dbraw/zinc/15/05/64/605150564.db2.gz HAIUVQJSHRNFBZ-RAGICBKZSA-N -1 0 329.440 3.671 20 0 EHADRM C[C@H]1CCC[C@H](OCCCCCC(=O)NC2(C(=O)[O-])CCCC2)C1 ZINC000833611191 605152035 /nfs/dbraw/zinc/15/20/35/605152035.db2.gz WVCCFYAJYZBNFT-HOTGVXAUSA-N -1 0 339.476 3.656 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1cccc(F)c1F ZINC000833521488 605162246 /nfs/dbraw/zinc/16/22/46/605162246.db2.gz NSLHHBYOHNAPIS-MRVPVSSYSA-N -1 0 338.285 3.685 20 0 EHADRM Cc1c(NC(=O)Nc2cc(C(=O)[O-])n(C)c2)cccc1C(F)(F)F ZINC000833742145 605168342 /nfs/dbraw/zinc/16/83/42/605168342.db2.gz NULHVAFBZMIVBR-UHFFFAOYSA-N -1 0 341.289 3.695 20 0 EHADRM CC(C)c1cc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc(=O)[nH]1 ZINC000833509429 605171718 /nfs/dbraw/zinc/17/17/18/605171718.db2.gz NAOZIGBYNHNATM-UHFFFAOYSA-N -1 0 334.759 3.515 20 0 EHADRM CC(C)(NCc1ccc(C(=O)[O-])o1)c1ccccc1Br ZINC000833460774 605172206 /nfs/dbraw/zinc/17/22/06/605172206.db2.gz JBLGKMKLGYZJIB-UHFFFAOYSA-N -1 0 338.201 3.765 20 0 EHADRM C[C@@H](OC(=O)c1cccc(NC(=O)[O-])c1)c1nc2ccccc2o1 ZINC000833534649 605173294 /nfs/dbraw/zinc/17/32/94/605173294.db2.gz GNSKADOSOFMGPT-SNVBAGLBSA-N -1 0 326.308 3.836 20 0 EHADRM C[C@@H]1CCC[C@H](OCCCCCC(=O)N2CCC[C@H]2CC(=O)[O-])C1 ZINC000833606956 605173522 /nfs/dbraw/zinc/17/35/22/605173522.db2.gz BBYOGMJNZYTJQQ-IKGGRYGDSA-N -1 0 339.476 3.608 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)Nc2scc(C(=O)[O-])c2C)c1C(C)C ZINC000833400282 605184637 /nfs/dbraw/zinc/18/46/37/605184637.db2.gz FOTYQELSVJFMAG-UHFFFAOYSA-N -1 0 348.424 3.970 20 0 EHADRM CC[C@H](C)[C@H](C)C(=O)OCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833638468 605196233 /nfs/dbraw/zinc/19/62/33/605196233.db2.gz NDLGCABJTMLJGF-RYUDHWBXSA-N -1 0 331.368 3.765 20 0 EHADRM CC[C@H](C)Oc1cc(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)ccn1 ZINC000833641210 605211863 /nfs/dbraw/zinc/21/18/63/605211863.db2.gz QOXGSCKRAOZCPN-JTQLQIEISA-N -1 0 347.346 3.740 20 0 EHADRM CC[C@@H](C)Oc1cc(C(=O)N(CC)c2ccccc2C(=O)[O-])ccn1 ZINC000833640756 605214685 /nfs/dbraw/zinc/21/46/85/605214685.db2.gz CWSQYPQAHJVOMD-CYBMUJFWSA-N -1 0 342.395 3.624 20 0 EHADRM CCOCCC1(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)CCC1 ZINC000827393982 605215873 /nfs/dbraw/zinc/21/58/73/605215873.db2.gz JOGJQMNKOORPDU-ZDUSSCGKSA-N -1 0 334.416 3.551 20 0 EHADRM C[C@H](Nc1ccc(CN(C)C(=O)[O-])cc1)c1ccc2c(c1)COC2 ZINC000833527376 605219059 /nfs/dbraw/zinc/21/90/59/605219059.db2.gz YQOQEIOYJKYQHM-ZDUSSCGKSA-N -1 0 326.396 4.000 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)[C@H]2CCCC[C@@H]12 ZINC000833624763 605227768 /nfs/dbraw/zinc/22/77/68/605227768.db2.gz UZEZHAQKVXAOFW-COXVUDFISA-N -1 0 330.428 3.746 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)c1csc(-c2cccs2)n1)C(=O)[O-] ZINC000833429073 605233845 /nfs/dbraw/zinc/23/38/45/605233845.db2.gz GTSRROOOCITOEM-JTQLQIEISA-N -1 0 339.438 3.918 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC000448988517 605240759 /nfs/dbraw/zinc/24/07/59/605240759.db2.gz FETOWBJFXRSTJF-CZUORRHYSA-N -1 0 331.437 3.649 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000833642007 605244400 /nfs/dbraw/zinc/24/44/00/605244400.db2.gz VUINBRKVNGXLQG-UHFFFAOYSA-N -1 0 329.400 3.812 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000621557543 605246295 /nfs/dbraw/zinc/24/62/95/605246295.db2.gz JVIDDZNHAMJWIX-OAHLLOKOSA-N -1 0 337.419 3.886 20 0 EHADRM C[C@H](CNc1ccccc1)NC(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833519846 605283997 /nfs/dbraw/zinc/28/39/97/605283997.db2.gz XGAYHIIPSFUWFX-LLVKDONJSA-N -1 0 346.362 3.538 20 0 EHADRM COCCC[C@H](C)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000833724474 605294506 /nfs/dbraw/zinc/29/45/06/605294506.db2.gz DKDXSSWCNNYJDH-JTQLQIEISA-N -1 0 327.446 3.745 20 0 EHADRM CN(C(=O)[O-])c1ccc(NCc2ncc(Br)s2)cc1 ZINC000833686145 605300587 /nfs/dbraw/zinc/30/05/87/605300587.db2.gz ZFSUFDLTDQHDCG-UHFFFAOYSA-N -1 0 342.218 3.632 20 0 EHADRM C[C@@H](Cc1noc(-c2cc(Cl)ccc2Cl)n1)N(C)C(=O)[O-] ZINC000825036188 605303645 /nfs/dbraw/zinc/30/36/45/605303645.db2.gz JIZUKDVQAUWEGO-ZETCQYMHSA-N -1 0 330.171 3.584 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1)c1ccncc1 ZINC000833514132 605303942 /nfs/dbraw/zinc/30/39/42/605303942.db2.gz OTFGAWFPUNDQSA-VBKZILBWSA-N -1 0 348.402 3.671 20 0 EHADRM CC(C)(C)OCC(=O)OCc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000833445757 605312299 /nfs/dbraw/zinc/31/22/99/605312299.db2.gz QUIVPNXYIAYRJX-UHFFFAOYSA-N -1 0 340.372 3.597 20 0 EHADRM CC(C)(C)OC(=O)CCCSc1nc2ccc(C(=O)[O-])cc2o1 ZINC000833432857 605335033 /nfs/dbraw/zinc/33/50/33/605335033.db2.gz CVYLFZBNBZWDQP-UHFFFAOYSA-N -1 0 337.397 3.740 20 0 EHADRM Cc1ccc(SCCc2nc(C[C@@H](C)N(C)C(=O)[O-])no2)cc1C ZINC000830427514 605338016 /nfs/dbraw/zinc/33/80/16/605338016.db2.gz JNBOEMCDZUHZSD-CYBMUJFWSA-N -1 0 349.456 3.562 20 0 EHADRM Cc1ccc(C(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)cc1NC(=O)[O-] ZINC000830206252 605341641 /nfs/dbraw/zinc/34/16/41/605341641.db2.gz YQLYORNZVGFJOI-BPQIPLTHSA-N -1 0 336.391 3.543 20 0 EHADRM COc1cc(NC(=O)[C@@H]2CCCc3sccc32)ccc1NC(=O)[O-] ZINC000829153486 605367002 /nfs/dbraw/zinc/36/70/02/605367002.db2.gz GDOVOFFFBSLJEA-GFCCVEGCSA-N -1 0 346.408 3.905 20 0 EHADRM C[C@@H]1CCC[C@@H]1C(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000833610019 605368032 /nfs/dbraw/zinc/36/80/32/605368032.db2.gz UXXXVOAJHWYJOH-DDTOSNHZSA-N -1 0 343.345 3.774 20 0 EHADRM CC(C)Oc1c(F)cc(NC(=O)C2CCC(C(=O)[O-])CC2)cc1F ZINC000833505035 605375654 /nfs/dbraw/zinc/37/56/54/605375654.db2.gz FLTXDDZMKSNQKJ-UHFFFAOYSA-N -1 0 341.354 3.582 20 0 EHADRM C[C@H](NC(=O)NCC1(C(=O)[O-])CCCCC1)c1ccc(Cl)s1 ZINC000316604626 605379720 /nfs/dbraw/zinc/37/97/20/605379720.db2.gz NKDRIKHRHAKTBO-JTQLQIEISA-N -1 0 344.864 3.797 20 0 EHADRM CC1(C)C[C@H](NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C(C)(C)O1 ZINC000833556273 605398146 /nfs/dbraw/zinc/39/81/46/605398146.db2.gz QMOTUJKKWIGDGM-LBPRGKRZSA-N -1 0 340.807 3.506 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000833383740 605419581 /nfs/dbraw/zinc/41/95/81/605419581.db2.gz NOWZNMGVUXEDAD-NRMKIYEFSA-N -1 0 329.421 3.792 20 0 EHADRM Cc1ccc(C[C@@H](C)C(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000192889439 605445690 /nfs/dbraw/zinc/44/56/90/605445690.db2.gz MSZMFSGJPPCGJE-OAHLLOKOSA-N -1 0 325.408 3.830 20 0 EHADRM Cc1ccc(C[C@@H](C)C(=O)Nc2nc(CCCC(=O)[O-])cs2)cc1 ZINC000833748057 605462109 /nfs/dbraw/zinc/46/21/09/605462109.db2.gz BTGLTEURKCXIES-CYBMUJFWSA-N -1 0 346.452 3.676 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833384173 605471208 /nfs/dbraw/zinc/47/12/08/605471208.db2.gz OBUWGBIPCKDPCE-MLRPBERTSA-N -1 0 329.440 3.748 20 0 EHADRM CC(C)(C)Sc1cc(C(=O)Oc2cccc(CC(=O)[O-])c2)ccn1 ZINC000833448281 605493377 /nfs/dbraw/zinc/49/33/77/605493377.db2.gz WQYFQYZWUQPXSY-UHFFFAOYSA-N -1 0 345.420 3.819 20 0 EHADRM CC(C)c1cc(C(=O)O[C@@H](C(=O)[O-])c2c(F)cccc2Cl)on1 ZINC000833509848 605510761 /nfs/dbraw/zinc/51/07/61/605510761.db2.gz VYBQAKAZNAZGCI-CYBMUJFWSA-N -1 0 341.722 3.573 20 0 EHADRM CC1(C)CCC(C(=O)N2CCC(N(CC3CC3)C(=O)[O-])CC2)CC1 ZINC000825708640 605526085 /nfs/dbraw/zinc/52/60/85/605526085.db2.gz XBCGRTSJDPXKLN-UHFFFAOYSA-N -1 0 336.476 3.584 20 0 EHADRM CC(C)(C)c1ncc(CN2CCc3ccc(C(=O)[O-])cc3C2)s1 ZINC000833450703 605545202 /nfs/dbraw/zinc/54/52/02/605545202.db2.gz JAKGSWQEYXFTBZ-UHFFFAOYSA-N -1 0 330.453 3.697 20 0 EHADRM C[C@H](CC(=O)OCc1cccc(NC(=O)[O-])c1)C(=O)c1ccccc1 ZINC000824736065 605546893 /nfs/dbraw/zinc/54/68/93/605546893.db2.gz LTERTBIIIKIPNB-CYBMUJFWSA-N -1 0 341.363 3.729 20 0 EHADRM C[C@H](c1ccccc1)N(C)C(=O)C[C@H](NC(=O)[O-])c1ccccc1 ZINC000825638664 605570318 /nfs/dbraw/zinc/57/03/18/605570318.db2.gz OCHVLOBYECCIPK-PBHICJAKSA-N -1 0 326.396 3.605 20 0 EHADRM CCCCn1ncc(NC(=O)Nc2cc(NC(=O)[O-])ccc2F)c1C ZINC000826853231 605579275 /nfs/dbraw/zinc/57/92/75/605579275.db2.gz JTUAQBWSSUUZHT-UHFFFAOYSA-N -1 0 349.366 3.865 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)c2cccc(-c3ccoc3)c2)c1 ZINC000834247410 605580577 /nfs/dbraw/zinc/58/05/77/605580577.db2.gz RJYPZHFOVIBQOV-UHFFFAOYSA-N -1 0 336.347 3.967 20 0 EHADRM O=C([O-])N[C@@H](CC(=O)N1CCC[C@@H]1c1ccsc1)c1ccccc1 ZINC000832093727 605588041 /nfs/dbraw/zinc/58/80/41/605588041.db2.gz PJZZRUSNYYSSDP-JKSUJKDBSA-N -1 0 344.436 3.811 20 0 EHADRM C[C@H](c1ccccc1)N(C(=O)c1cnc(C(=O)[O-])cn1)c1ccccc1 ZINC000833547562 605601471 /nfs/dbraw/zinc/60/14/71/605601471.db2.gz BWMJHZFAFZPTTO-CQSZACIVSA-N -1 0 347.374 3.583 20 0 EHADRM O=C([O-])Nc1ccc2c(c1)CC[C@@H]2NCc1csc(C2CC2)n1 ZINC000834262474 605614309 /nfs/dbraw/zinc/61/43/09/605614309.db2.gz LPWQKBDGUSYCJO-HNNXBMFYSA-N -1 0 329.425 3.888 20 0 EHADRM Cc1cc(C(=O)NCc2cccc(OC(C)C)c2)ccc1NC(=O)[O-] ZINC000829956120 605627550 /nfs/dbraw/zinc/62/75/50/605627550.db2.gz AXTYMXVWGOZFLH-UHFFFAOYSA-N -1 0 342.395 3.802 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)O[C@H](c2ccccn2)C(F)(F)F)c1 ZINC000834265141 605658546 /nfs/dbraw/zinc/65/85/46/605658546.db2.gz QRBNOQWBHYNZDU-GFCCVEGCSA-N -1 0 340.257 3.632 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000236811688 605669377 /nfs/dbraw/zinc/66/93/77/605669377.db2.gz BCVYVWDRBYKUDC-UHFFFAOYSA-N -1 0 335.734 3.771 20 0 EHADRM Cc1ccc(C(=O)N(CC(F)F)CC2CCC2)cc1NC(=O)[O-] ZINC000833902907 605673606 /nfs/dbraw/zinc/67/36/06/605673606.db2.gz SLCWBJKISZWTRP-UHFFFAOYSA-N -1 0 326.343 3.592 20 0 EHADRM Cc1cc(C(=O)N2CC[C@@H](c3ccccc3F)C2)ccc1NC(=O)[O-] ZINC000829925096 605683415 /nfs/dbraw/zinc/68/34/15/605683415.db2.gz OEXPZHDSCWKTQJ-CQSZACIVSA-N -1 0 342.370 3.854 20 0 EHADRM CCS[C@@H]1CCCCN(C(=O)c2ccc(NC(=O)[O-])c(C)c2)C1 ZINC000827502623 605687725 /nfs/dbraw/zinc/68/77/25/605687725.db2.gz DINUULISVZHSFN-CQSZACIVSA-N -1 0 336.457 3.833 20 0 EHADRM CCN(C(=O)c1ccc(NC(=O)[O-])c(C)c1)[C@@H](C)c1cccnc1 ZINC000826983223 605691997 /nfs/dbraw/zinc/69/19/97/605691997.db2.gz HQBXVHVZPGPYFE-ZDUSSCGKSA-N -1 0 327.384 3.703 20 0 EHADRM Cc1cc(C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2F)ccc1NC(=O)[O-] ZINC000829939707 605693828 /nfs/dbraw/zinc/69/38/28/605693828.db2.gz GTBUCGADJUBLPX-XHDPSFHLSA-N -1 0 346.333 3.649 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)CCCC(F)(F)F)ccc21 ZINC000833990829 605700690 /nfs/dbraw/zinc/70/06/90/605700690.db2.gz CLBNWFSEECBFMO-UHFFFAOYSA-N -1 0 330.306 3.788 20 0 EHADRM CSc1ccc(F)cc1CNC(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000829766398 605703305 /nfs/dbraw/zinc/70/33/05/605703305.db2.gz IHIXSLKJIARKNA-UHFFFAOYSA-N -1 0 348.399 3.876 20 0 EHADRM O=C([O-])N1CCCCC[C@H]1c1noc([C@H]2CCOc3ccccc32)n1 ZINC000834110055 605721587 /nfs/dbraw/zinc/72/15/87/605721587.db2.gz VYESCJYQHJONSL-KBPBESRZSA-N -1 0 343.383 3.579 20 0 EHADRM O=C([O-])N1CCCCC[C@H]1c1noc(-c2cccc3cnccc32)n1 ZINC000834108740 605725223 /nfs/dbraw/zinc/72/52/23/605725223.db2.gz OZLAIBZEDBKWPL-HNNXBMFYSA-N -1 0 338.367 3.880 20 0 EHADRM O=C(CN(C(=O)[O-])c1ccccc1)Nc1ccccc1OCC1CC1 ZINC000831455881 605737979 /nfs/dbraw/zinc/73/79/79/605737979.db2.gz LLQOEQPDPAXPSO-UHFFFAOYSA-N -1 0 340.379 3.599 20 0 EHADRM C[C@H](C(=O)Nc1scnc1C1CC1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000833790993 605783834 /nfs/dbraw/zinc/78/38/34/605783834.db2.gz RPCBWEOXRMIWIV-GWCFXTLKSA-N -1 0 345.424 3.604 20 0 EHADRM C[C@@H](SCc1cc(C(=O)[O-])ccc1Cl)C(=O)NC1CCCC1 ZINC000833541705 605788305 /nfs/dbraw/zinc/78/83/05/605788305.db2.gz DXEQVIIFYLRBRY-SNVBAGLBSA-N -1 0 341.860 3.719 20 0 EHADRM C[C@@H](CCC(=O)N(C1CC1)C1CCN(C(=O)[O-])CC1)c1ccccc1 ZINC000833802836 605789803 /nfs/dbraw/zinc/78/98/03/605789803.db2.gz FEYYPIYTJSCWQU-HNNXBMFYSA-N -1 0 344.455 3.704 20 0 EHADRM CCC[C@H](C(=O)Oc1ccc(CC(=O)[O-])cc1F)c1ccccc1 ZINC000833648807 605797397 /nfs/dbraw/zinc/79/73/97/605797397.db2.gz XHHKAZVNTUBUDG-HNNXBMFYSA-N -1 0 330.355 3.942 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)/C=C/Sc2ccccc2)c(F)c1 ZINC000833776442 605797957 /nfs/dbraw/zinc/79/79/57/605797957.db2.gz JDIKQEHZSHBVFH-CMDGGOBGSA-N -1 0 332.352 3.664 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000833775906 605800541 /nfs/dbraw/zinc/80/05/41/605800541.db2.gz BTKXTCGYYXQBBJ-WDEREUQCSA-N -1 0 348.292 3.727 20 0 EHADRM O=C([O-])N[C@H]1C[C@@H](NCc2coc(-c3ccccc3)n2)c2ccccc21 ZINC000834159244 605800837 /nfs/dbraw/zinc/80/08/37/605800837.db2.gz RMWFXCCTQREUFJ-MSOLQXFVSA-N -1 0 349.390 3.885 20 0 EHADRM O=C([O-])N[C@@H]1C[C@H](Nc2ccc(N3CCCC3)nc2)c2ccccc21 ZINC000834159379 605811119 /nfs/dbraw/zinc/81/11/19/605811119.db2.gz SRUVFEWRIPBTHF-DLBZAZTESA-N -1 0 338.411 3.547 20 0 EHADRM CCCN(C(=O)c1cc2cc(C)ccc2o1)C1CCN(C(=O)[O-])CC1 ZINC000826884741 605814903 /nfs/dbraw/zinc/81/49/03/605814903.db2.gz WPSYNGUYIOBVOC-UHFFFAOYSA-N -1 0 344.411 3.736 20 0 EHADRM CCCN(C(=O)C[C@@H](C)c1ccccc1)C1CCN(C(=O)[O-])CC1 ZINC000826859460 605820046 /nfs/dbraw/zinc/82/00/46/605820046.db2.gz SXDXFFZNLSESEY-OAHLLOKOSA-N -1 0 332.444 3.561 20 0 EHADRM Cc1cc(C(=O)O[C@H](C)C(=O)c2ccccc2)ccc1NC(=O)[O-] ZINC000829971709 605829412 /nfs/dbraw/zinc/82/94/12/605829412.db2.gz QEROLDCSJYKZDR-GFCCVEGCSA-N -1 0 327.336 3.513 20 0 EHADRM CCc1cccc(CC)c1NC(=O)N(C1CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000827593599 605875700 /nfs/dbraw/zinc/87/57/00/605875700.db2.gz CWWZSGIAAVSTPK-INIZCTEOSA-N -1 0 345.443 3.560 20 0 EHADRM O=C([O-])NCCCCC(=O)N1CCC[C@H]1c1cccc2ccccc21 ZINC000834235664 605891455 /nfs/dbraw/zinc/89/14/55/605891455.db2.gz WZASFDVTKBPYCE-SFHVURJKSA-N -1 0 340.423 3.941 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N2CC[C@H]2c2cccc(F)c2)cc1 ZINC000834261829 605927854 /nfs/dbraw/zinc/92/78/54/605927854.db2.gz FZRCXTBNMJAYRD-HNNXBMFYSA-N -1 0 329.331 3.895 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)Nc1cccc2ccc(O)cc21 ZINC000834274014 605982025 /nfs/dbraw/zinc/98/20/25/605982025.db2.gz RDEIVDPNFPKLLT-UHFFFAOYSA-N -1 0 336.347 3.817 20 0 EHADRM COc1cc(CC(=O)Nc2cc(NC(=O)[O-])ccc2C)ccc1C ZINC000833887393 606004761 /nfs/dbraw/zinc/00/47/61/606004761.db2.gz PZPOUEAJKLRJIU-UHFFFAOYSA-N -1 0 328.368 3.583 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)CCCc2ccsc2)cc1 ZINC000834258416 606005689 /nfs/dbraw/zinc/00/56/89/606005689.db2.gz GVWTYLNRZUNABA-UHFFFAOYSA-N -1 0 332.425 3.520 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N1CCC[C@H]1c1cccs1 ZINC000834271187 606041980 /nfs/dbraw/zinc/04/19/80/606041980.db2.gz QRSMZBVJAXQCGF-AWEZNQCLSA-N -1 0 330.409 3.744 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)NCc1ccc2ccccc2c1 ZINC000834274416 606045372 /nfs/dbraw/zinc/04/53/72/606045372.db2.gz LQBCCERUZSAESG-UHFFFAOYSA-N -1 0 334.375 3.789 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000834272957 606052425 /nfs/dbraw/zinc/05/24/25/606052425.db2.gz SHSZFUKZSMIVFJ-MRXNPFEDSA-N -1 0 344.798 3.776 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)O[C@@H]1CCc2ccc(F)cc21 ZINC000834275267 606093875 /nfs/dbraw/zinc/09/38/75/606093875.db2.gz VRRGMZXVLQKIKZ-MRXNPFEDSA-N -1 0 329.327 3.689 20 0 EHADRM O=C([O-])C1(NC(=O)CSc2cc(Cl)ccc2Cl)CCCC1 ZINC000037419934 939031221 /nfs/dbraw/zinc/03/12/21/939031221.db2.gz PFAHGOFJJXEKFO-UHFFFAOYSA-N -1 0 348.251 3.599 20 0 EHADRM O=C([O-])C1(NC(=O)c2ccc(SC(F)(F)F)cc2)CCCCC1 ZINC000013426266 939031262 /nfs/dbraw/zinc/03/12/62/939031262.db2.gz ZIYVFQVFKNXEGH-UHFFFAOYSA-N -1 0 347.358 3.816 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc2cc[nH]c2c1)c1ccc2ccccc2c1 ZINC000191478246 939037233 /nfs/dbraw/zinc/03/72/33/939037233.db2.gz PYOQPJUSAICRLC-LJQANCHMSA-N -1 0 344.370 3.877 20 0 EHADRM O=C([O-])[C@@]1(NC(=O)Nc2cc(F)cc(Cl)c2)CCc2ccccc21 ZINC000684745591 939047589 /nfs/dbraw/zinc/04/75/89/939047589.db2.gz PCNSFESDZMNNSE-QGZVFWFLSA-N -1 0 348.761 3.527 20 0 EHADRM CCc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cc1CC ZINC000684749180 939051601 /nfs/dbraw/zinc/05/16/01/939051601.db2.gz XEKJUYAXSKXMAY-QGZVFWFLSA-N -1 0 344.386 3.898 20 0 EHADRM O=C([O-])C1(NC(=O)CCSc2ccccc2F)CCCCCC1 ZINC000238078499 939056877 /nfs/dbraw/zinc/05/68/77/939056877.db2.gz NYLOLIDTOLKANU-UHFFFAOYSA-N -1 0 339.432 3.602 20 0 EHADRM O=C([O-])C1(NC(=O)Cc2cccc(C(F)(F)F)c2)CCCCCC1 ZINC000238086916 939057148 /nfs/dbraw/zinc/05/71/48/939057148.db2.gz LBONISJJBLFXRF-UHFFFAOYSA-N -1 0 343.345 3.542 20 0 EHADRM O=C([O-])C1(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)CCCCCC1 ZINC000261959545 939057761 /nfs/dbraw/zinc/05/77/61/939057761.db2.gz XLPXOYIPALOTCZ-NWDGAFQWSA-N -1 0 335.366 3.649 20 0 EHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000761595463 939067868 /nfs/dbraw/zinc/06/78/68/939067868.db2.gz RWSMJWYUEZCNAN-HYSAVQALSA-N -1 0 343.810 3.860 20 0 EHADRM O=C(/C=C/c1ccsc1)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000762207264 939071315 /nfs/dbraw/zinc/07/13/15/939071315.db2.gz PTJNIOKAIMPZOU-MOTZXUDYSA-N -1 0 337.400 3.857 20 0 EHADRM C[C@@](NC(=O)CCC1CC1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000262896274 939083802 /nfs/dbraw/zinc/08/38/02/939083802.db2.gz DJAWHRYRAMJCHS-HNNXBMFYSA-N -1 0 330.211 3.600 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N[C@H](C(=O)[O-])c1cccc(C)c1C ZINC000262951909 939088258 /nfs/dbraw/zinc/08/82/58/939088258.db2.gz HINGUQXIQNXTEG-KRWDZBQOSA-N -1 0 329.396 3.884 20 0 EHADRM C[C@H](CC(=O)N[C@](C)(C(=O)[O-])c1ccc(F)cc1)c1ccc(F)cc1 ZINC000263284995 939112991 /nfs/dbraw/zinc/11/29/91/939112991.db2.gz ZGXSZHASJMIAJJ-BLVKFPJESA-N -1 0 347.361 3.575 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000320317061 939123598 /nfs/dbraw/zinc/12/35/98/939123598.db2.gz VTHLPAGMEQVYBZ-QGZVFWFLSA-N -1 0 349.839 3.792 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000324684194 939126204 /nfs/dbraw/zinc/12/62/04/939126204.db2.gz QCLVDOAQSIZAGK-INIZCTEOSA-N -1 0 326.396 3.932 20 0 EHADRM C[C@H](NC(=O)NC1(C(=O)[O-])CCCC1)c1csc2ccccc21 ZINC000780567818 939133214 /nfs/dbraw/zinc/13/32/14/939133214.db2.gz YGIBMQZJUTZHEF-NSHDSACASA-N -1 0 332.425 3.659 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CCC[C@@H](F)C1)c1ccc(Cl)cc1Cl ZINC000425241900 939141641 /nfs/dbraw/zinc/14/16/41/939141641.db2.gz NYXHCJAIZPQGFA-JQEORGNBSA-N -1 0 348.201 3.764 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC000425245104 939141669 /nfs/dbraw/zinc/14/16/69/939141669.db2.gz TYEJVGJTELVCHV-CZUORRHYSA-N -1 0 331.437 3.567 20 0 EHADRM CC[C@](NC(=O)Nc1cccc(C)c1C)(C(=O)[O-])c1ccccc1 ZINC000788318008 939148939 /nfs/dbraw/zinc/14/89/39/939148939.db2.gz KWEQNJXLVKUGEA-LJQANCHMSA-N -1 0 326.396 3.815 20 0 EHADRM Cc1ccc(NC(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)c(C)c1 ZINC000788320801 939150465 /nfs/dbraw/zinc/15/04/65/939150465.db2.gz HFTJVAHFVADPIK-HNNXBMFYSA-N -1 0 334.322 3.529 20 0 EHADRM Cc1ccccc1CNC(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC000797704058 939160189 /nfs/dbraw/zinc/16/01/89/939160189.db2.gz PMJANMMHLJURBQ-LJQANCHMSA-N -1 0 348.402 3.773 20 0 EHADRM O=C([O-])C1(NC(=O)c2cnc(-c3ccccc3)s2)CCCCCC1 ZINC000431993697 939170879 /nfs/dbraw/zinc/17/08/79/939170879.db2.gz IMYNMIBADBTDJX-UHFFFAOYSA-N -1 0 344.436 3.718 20 0 EHADRM O=C([O-])C1(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CCCCCC1 ZINC000432004708 939171291 /nfs/dbraw/zinc/17/12/91/939171291.db2.gz CIAOCLCKYWQNMA-LSDHHAIUSA-N -1 0 335.831 3.737 20 0 EHADRM CCSc1cccc(NC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000797745661 939208080 /nfs/dbraw/zinc/20/80/80/939208080.db2.gz XRKCPLVWXIMYJD-SFHVURJKSA-N -1 0 344.436 3.920 20 0 EHADRM CC[C@](NC(=O)CCc1ccc(Cl)cc1)(C(=O)[O-])c1ccccc1 ZINC000485353579 939225296 /nfs/dbraw/zinc/22/52/96/939225296.db2.gz FTDARQGKTFAFRK-LJQANCHMSA-N -1 0 345.826 3.779 20 0 EHADRM CCc1cc(C)c(C(=O)N[C@@](CC)(C(=O)[O-])c2ccc(Cl)cc2)o1 ZINC000507288261 939231953 /nfs/dbraw/zinc/23/19/53/939231953.db2.gz AKGOXHUVEUYOSQ-GOSISDBHSA-N -1 0 349.814 3.924 20 0 EHADRM Cc1cc(NC(=O)N[C@H](C(=O)[O-])c2ccsc2)ccc1OC(C)C ZINC000518886644 939251003 /nfs/dbraw/zinc/25/10/03/939251003.db2.gz NKZXUBNJPOMAMA-HNNXBMFYSA-N -1 0 348.424 3.791 20 0 EHADRM O=C([O-])[C@@H](NC(=O)C1CCCCCC1)c1ccc(Cl)c(F)c1 ZINC000537362192 939264977 /nfs/dbraw/zinc/26/49/77/939264977.db2.gz FAFAGPNPDRPOGS-AWEZNQCLSA-N -1 0 327.783 3.691 20 0 EHADRM Cc1ccccc1CCC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000537369155 939266611 /nfs/dbraw/zinc/26/66/11/939266611.db2.gz OJZYFDDPCPQTGY-KRWDZBQOSA-N -1 0 349.789 3.662 20 0 EHADRM CCSCc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000554605217 939300986 /nfs/dbraw/zinc/30/09/86/939300986.db2.gz IGUSYXMBVGWMFF-MRXNPFEDSA-N -1 0 344.436 3.887 20 0 EHADRM CCC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C(=O)[O-])c1ccsc1 ZINC000555843603 939303556 /nfs/dbraw/zinc/30/35/56/939303556.db2.gz PGQUDFBWCQBICJ-HOTGVXAUSA-N -1 0 346.452 3.584 20 0 EHADRM CSc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)cc1 ZINC000555851376 939306105 /nfs/dbraw/zinc/30/61/05/939306105.db2.gz XMTCPVODBAMOQR-MRXNPFEDSA-N -1 0 344.436 3.973 20 0 EHADRM Cc1ccc(SCCC(=O)N[C@H](C(=O)[O-])c2ccsc2)cc1C ZINC000565250166 939347342 /nfs/dbraw/zinc/34/73/42/939347342.db2.gz IJFDSUJAJAKQSL-INIZCTEOSA-N -1 0 349.477 3.789 20 0 EHADRM CC(C)OCc1cccc(NC(=O)N[C@H](C(=O)[O-])c2cccs2)c1 ZINC000565812429 939351439 /nfs/dbraw/zinc/35/14/39/939351439.db2.gz QPNXYSQEWVNCOQ-HNNXBMFYSA-N -1 0 348.424 3.621 20 0 EHADRM CC(C)OCc1cccc(NC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)c1 ZINC000566638572 939356133 /nfs/dbraw/zinc/35/61/33/939356133.db2.gz GNEXXBURABWAJG-QGZVFWFLSA-N -1 0 348.443 3.767 20 0 EHADRM CC(F)(F)c1cccc(NC(=O)N[C@H](C(=O)[O-])C2CCCCC2)c1 ZINC000570258054 939381813 /nfs/dbraw/zinc/38/18/13/939381813.db2.gz AASVZNDYXNOXKE-AWEZNQCLSA-N -1 0 340.370 3.953 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)N[C@@H](C(=O)[O-])c1ccsc1 ZINC000571463766 939391424 /nfs/dbraw/zinc/39/14/24/939391424.db2.gz HNXYIKCWINXMGK-XJKSGUPXSA-N -1 0 331.437 3.649 20 0 EHADRM Cc1cccc([C@H](NC(=O)Nc2ccc(Cl)cc2)C(=O)[O-])c1C ZINC000572098406 939396627 /nfs/dbraw/zinc/39/66/27/939396627.db2.gz PMAAHTXOEVTBCL-HNNXBMFYSA-N -1 0 332.787 3.904 20 0 EHADRM CO[C@@H]1CCC[C@@H]([C@H](NC(=O)CCCC2CCCCC2)C(=O)[O-])C1 ZINC000573862189 939721986 /nfs/dbraw/zinc/72/19/86/939721986.db2.gz DSFUYHXZKKWARC-NUJGCVRESA-N -1 0 339.476 3.512 20 0 EHADRM CC(C)(C)c1ccc(CNC(=O)N[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC000580509437 939771199 /nfs/dbraw/zinc/77/11/99/939771199.db2.gz NBRUYPZWBXDKKZ-HNNXBMFYSA-N -1 0 346.452 3.671 20 0 EHADRM CSCc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccsc2)c1 ZINC000581862281 939780519 /nfs/dbraw/zinc/78/05/19/939780519.db2.gz LPDGJLOLPYAWGF-CYBMUJFWSA-N -1 0 336.438 3.559 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC000584093705 939795369 /nfs/dbraw/zinc/79/53/69/939795369.db2.gz BPWXJKVPBHASBQ-AWEZNQCLSA-N -1 0 346.452 3.747 20 0 EHADRM O=C([O-])[C@H](NC(=O)CC1CCC(C(F)(F)F)CC1)C1CCCCC1 ZINC000621586169 939811379 /nfs/dbraw/zinc/81/13/79/939811379.db2.gz UEALNNKEKXOIQJ-ABIUDSBCSA-N -1 0 349.393 3.895 20 0 EHADRM C[C@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1)c1ccco1 ZINC000630149184 939812849 /nfs/dbraw/zinc/81/28/49/939812849.db2.gz FSNUMMGPTWICGK-RFAUZJTJSA-N -1 0 339.750 3.508 20 0 EHADRM CC[C@@](NC(=O)C[C@@H](C)c1ccco1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000630172449 939814149 /nfs/dbraw/zinc/81/41/49/939814149.db2.gz IPOCGOUEOMLYII-XIKOKIGWSA-N -1 0 349.814 3.933 20 0 EHADRM CCO[C@@H]1C[C@@](NC(=O)CCC2CCCCCC2)(C(=O)[O-])C1(C)C ZINC000656241069 939841734 /nfs/dbraw/zinc/84/17/34/939841734.db2.gz GPZLGSZYSNUDOX-DNVCBOLYSA-N -1 0 339.476 3.512 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)c1 ZINC000656505702 939843734 /nfs/dbraw/zinc/84/37/34/939843734.db2.gz LYMQGFNEZPUVNK-SNUQEOBHSA-N -1 0 334.416 3.549 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)c2cc(Cl)sc2Cl)(C(=O)[O-])CC1 ZINC000659179581 939849667 /nfs/dbraw/zinc/84/96/67/939849667.db2.gz ISAMRYSTNMHLIW-DQVINBPGSA-N -1 0 336.240 3.818 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@H](C(=O)[O-])C3CCCC3)c2)oc1C ZINC000663033854 939850534 /nfs/dbraw/zinc/85/05/34/939850534.db2.gz QRVZHTVSPTZGGU-MRXNPFEDSA-N -1 0 342.395 3.788 20 0 EHADRM O=C([O-])[C@@H](C(=O)NCc1ccccc1-c1ccc(Cl)cc1)C1CC1 ZINC000663101290 939854840 /nfs/dbraw/zinc/85/48/40/939854840.db2.gz FZLRHETVBRZLBX-QGZVFWFLSA-N -1 0 343.810 3.734 20 0 EHADRM CC[C@H](CC(=O)N[C@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000675980485 939864913 /nfs/dbraw/zinc/86/49/13/939864913.db2.gz UEFOTHHXYSLSOW-QRWLVFNGSA-N -1 0 325.408 3.687 20 0 EHADRM C[C@](NC(=O)CCCCCc1cccs1)(C(=O)[O-])c1ccccc1 ZINC000675983301 939866281 /nfs/dbraw/zinc/86/62/81/939866281.db2.gz ZNZSXOFPYOUJKV-LJQANCHMSA-N -1 0 345.464 3.967 20 0 EHADRM Cc1ccc(CCCCC(=O)N[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000678984741 939868778 /nfs/dbraw/zinc/86/87/78/939868778.db2.gz GATBSNXJOIWXPG-IBGZPJMESA-N -1 0 343.398 3.789 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000678988895 939869515 /nfs/dbraw/zinc/86/95/15/939869515.db2.gz OXVIVMAIUHNLND-MRXNPFEDSA-N -1 0 345.370 3.559 20 0 EHADRM COc1ccc([C@@H](NC(=O)Nc2cccc(C)c2)C(=O)[O-])cc1Cl ZINC000683921624 939871253 /nfs/dbraw/zinc/87/12/53/939871253.db2.gz VUZCLWAMRYOSSY-OAHLLOKOSA-N -1 0 348.786 3.604 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2C)cc1 ZINC000684717928 939871977 /nfs/dbraw/zinc/87/19/77/939871977.db2.gz KBBHUMWNNQSWCX-CRAIPNDOSA-N -1 0 340.423 3.798 20 0 EHADRM CC1CCC(N(C)C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CC1 ZINC000321643181 970792916 /nfs/dbraw/zinc/79/29/16/970792916.db2.gz KAHQEWVGCIYNCR-UHFFFAOYSA-N -1 0 326.343 3.705 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NCCC(C)(C)C(=O)[O-] ZINC001600368382 970801989 /nfs/dbraw/zinc/80/19/89/970801989.db2.gz HGESGZXFARPZOV-CQSZACIVSA-N -1 0 335.444 3.503 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)NCCc1ccccc1C(=O)[O-] ZINC000321806014 970810419 /nfs/dbraw/zinc/81/04/19/970810419.db2.gz VJQUERGNRDRIHB-UHFFFAOYSA-N -1 0 332.787 3.711 20 0 EHADRM Cc1ccc(NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c(Cl)c1C ZINC001600453232 970811491 /nfs/dbraw/zinc/81/14/91/970811491.db2.gz OSWGJHZUFRCILM-QWHCGFSZSA-N -1 0 336.819 3.531 20 0 EHADRM C[C@H]1CCc2sc(C(=O)NC3(CC(=O)[O-])CCCCC3)cc2C1 ZINC000321976954 970832446 /nfs/dbraw/zinc/83/24/46/970832446.db2.gz ISOHBVKCDJWCOS-LBPRGKRZSA-N -1 0 335.469 3.780 20 0 EHADRM C[C@H]1CCc2c(C(=O)NCC3(C(=O)[O-])CCCCC3)csc2C1 ZINC000322062081 970841745 /nfs/dbraw/zinc/84/17/45/970841745.db2.gz MACKTFJLACMENK-LBPRGKRZSA-N -1 0 335.469 3.638 20 0 EHADRM Cc1csc([C@H](NCc2ccc(C(=O)[O-])cc2)C(F)(F)F)n1 ZINC001600655291 970842174 /nfs/dbraw/zinc/84/21/74/970842174.db2.gz OAGOUYHYNBAJDB-NSHDSACASA-N -1 0 330.331 3.543 20 0 EHADRM Cc1oc(CNC(=O)c2cc3cc(F)ccc3s2)cc1C(=O)[O-] ZINC000322071844 970843847 /nfs/dbraw/zinc/84/38/47/970843847.db2.gz FSFYIOHJESKELK-UHFFFAOYSA-N -1 0 333.340 3.570 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)Nc2cc(Cl)ccc2F)C1 ZINC000322117348 970848682 /nfs/dbraw/zinc/84/86/82/970848682.db2.gz YQDVGQXIZYFSRY-SNVBAGLBSA-N -1 0 342.798 3.834 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000322143836 970852180 /nfs/dbraw/zinc/85/21/80/970852180.db2.gz RRZJOCOCUXQLJB-BDAKNGLRSA-N -1 0 333.281 3.831 20 0 EHADRM C[C@@H](Cc1ccsc1)NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000322733934 970924777 /nfs/dbraw/zinc/92/47/77/970924777.db2.gz VCZPNJVGPHLORA-LBPRGKRZSA-N -1 0 332.425 3.518 20 0 EHADRM CCCC[C@@H](CC)CNC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000322749584 970925888 /nfs/dbraw/zinc/92/58/88/970925888.db2.gz BSYMFHYXBFZSJP-CABCVRRESA-N -1 0 326.481 3.735 20 0 EHADRM Cc1cccc(C(C)C)c1NS(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000323845391 971045167 /nfs/dbraw/zinc/04/51/67/971045167.db2.gz AXECBGLVEJUEFP-UHFFFAOYSA-N -1 0 347.436 3.759 20 0 EHADRM Cc1sc(NC(=O)c2cnc3ccccc3c2O)c(C(=O)[O-])c1C ZINC000323887032 971052049 /nfs/dbraw/zinc/05/20/49/971052049.db2.gz VWQKMWVPRRLDGG-UHFFFAOYSA-N -1 0 342.376 3.569 20 0 EHADRM Cc1ccc(OCC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)c(C)c1 ZINC000324049607 971078475 /nfs/dbraw/zinc/07/84/75/971078475.db2.gz UEWFAUSIADRUKI-UHFFFAOYSA-N -1 0 345.420 3.569 20 0 EHADRM O=C([O-])CC1(NC(=O)Cc2cc3cc(Cl)ccc3[nH]2)CCCCC1 ZINC001601927695 971089638 /nfs/dbraw/zinc/08/96/38/971089638.db2.gz PAWTYTXOLZJENI-UHFFFAOYSA-N -1 0 348.830 3.658 20 0 EHADRM Cc1cccc(C)c1OCCC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000324257338 971102087 /nfs/dbraw/zinc/10/20/87/971102087.db2.gz IZNQPERYKTXECM-UHFFFAOYSA-N -1 0 331.343 3.548 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2cccc3ccccc32)CCCCC1 ZINC000324371508 971113302 /nfs/dbraw/zinc/11/33/02/971113302.db2.gz JQCXNSNOYKHSJU-UHFFFAOYSA-N -1 0 325.408 3.995 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)NC(C2CCC2)C2CCC2)cc1F ZINC000324539198 971130662 /nfs/dbraw/zinc/13/06/62/971130662.db2.gz ADHCIAVURSUSRU-UHFFFAOYSA-N -1 0 338.354 3.753 20 0 EHADRM Cc1cc(C)c(NC(=O)NCCc2cccc(C(=O)[O-])c2)c(C)c1 ZINC000324659455 971144374 /nfs/dbraw/zinc/14/43/74/971144374.db2.gz HSUWWRCAHOHOOX-UHFFFAOYSA-N -1 0 326.396 3.674 20 0 EHADRM C[C@H](NC(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccccc1Cl ZINC000324680479 971147771 /nfs/dbraw/zinc/14/77/71/971147771.db2.gz JPHQVGNTBHRINM-NSHDSACASA-N -1 0 348.786 3.686 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@@](C)(C(=O)[O-])C2)cc1C(F)(F)F ZINC000324705419 971149446 /nfs/dbraw/zinc/14/94/46/971149446.db2.gz AQXUARBSYQLGOX-OAHLLOKOSA-N -1 0 344.333 3.732 20 0 EHADRM O=C([O-])CCCCCCNC(=O)NCc1ccccc1C(F)(F)F ZINC000324703467 971149541 /nfs/dbraw/zinc/14/95/41/971149541.db2.gz ABRVEMRYIDNHQU-UHFFFAOYSA-N -1 0 346.349 3.540 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000325070422 971182399 /nfs/dbraw/zinc/18/23/99/971182399.db2.gz CAXFMGSTYCBXSW-NSHDSACASA-N -1 0 343.408 3.502 20 0 EHADRM Cc1cc(C)c(NC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c(C)c1 ZINC000325242556 971197337 /nfs/dbraw/zinc/19/73/37/971197337.db2.gz DVZQQFJSNWOUPA-OAHLLOKOSA-N -1 0 332.444 3.967 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)C2CCC(C(F)(F)F)CC2)c1 ZINC000325279618 971200388 /nfs/dbraw/zinc/20/03/88/971200388.db2.gz SUHYGPIARDPDLI-UHFFFAOYSA-N -1 0 345.317 3.701 20 0 EHADRM C[C@@H](NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)c1ccc(F)cc1 ZINC000325311975 971203986 /nfs/dbraw/zinc/20/39/86/971203986.db2.gz XLYGXFYPZNOPDP-MRVPVSSYSA-N -1 0 338.285 3.685 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12 ZINC001602471728 971204483 /nfs/dbraw/zinc/20/44/83/971204483.db2.gz MFKOFTCWPYXLRK-APHBMKBZSA-N -1 0 327.767 3.563 20 0 EHADRM Cc1cc(COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])oc1C(=O)[O-] ZINC000325403903 971212237 /nfs/dbraw/zinc/21/22/37/971212237.db2.gz ZMIHUNPCBCPAAU-UHFFFAOYSA-N -1 0 345.229 3.792 20 0 EHADRM COc1ccc(NC(=O)N(Cc2cccs2)C(C)C)c(C(=O)[O-])c1 ZINC000325399022 971212715 /nfs/dbraw/zinc/21/27/15/971212715.db2.gz FXSOIKCQHDZIKL-UHFFFAOYSA-N -1 0 348.424 3.897 20 0 EHADRM O=C([O-])[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)c2ccccc21 ZINC000325430978 971214321 /nfs/dbraw/zinc/21/43/21/971214321.db2.gz ZOVVGJZLPSNLDO-AWEZNQCLSA-N -1 0 346.770 3.827 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)[C@H]2CCCc3sccc32)c2ccccc21 ZINC000325455081 971217894 /nfs/dbraw/zinc/21/78/94/971217894.db2.gz YTINLTROFAFVBC-GJZGRUSLSA-N -1 0 341.432 3.773 20 0 EHADRM Cc1ccc(NC(=O)N2CCc3c(cccc3C(=O)[O-])C2)cc1Cl ZINC000325548381 971226021 /nfs/dbraw/zinc/22/60/21/971226021.db2.gz CZMUQTBIERJESZ-UHFFFAOYSA-N -1 0 344.798 3.937 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)NC1(CC(=O)[O-])CCCC1 ZINC000325655388 971233717 /nfs/dbraw/zinc/23/37/17/971233717.db2.gz GFGXWRLWKMRJCB-UHFFFAOYSA-N -1 0 344.333 3.923 20 0 EHADRM O=C([O-])c1nc(-c2ccc3c(c2)OCCO3)sc1-c1ccccc1 ZINC000325683616 971236174 /nfs/dbraw/zinc/23/61/74/971236174.db2.gz NVYYZQPRHIRPRJ-UHFFFAOYSA-N -1 0 339.372 3.947 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(Cc1ccccc1C(F)(F)F)CC2 ZINC000325754089 971240335 /nfs/dbraw/zinc/24/03/35/971240335.db2.gz FQDRNRNPMWLEAY-UHFFFAOYSA-N -1 0 335.325 3.962 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)C2CCC(C(F)(F)F)CC2)c2ccccc21 ZINC000325769259 971241964 /nfs/dbraw/zinc/24/19/64/971241964.db2.gz ICQLEKUMCNRRBA-XIVSLSHWSA-N -1 0 341.329 3.570 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)CCc1ccccc1Cl)C2 ZINC000325823024 971246446 /nfs/dbraw/zinc/24/64/46/971246446.db2.gz RYCZIEYQKVSOEP-UHFFFAOYSA-N -1 0 343.810 3.556 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc(Cl)nc2ccccc21)C1CCCCC1 ZINC000326101174 971267301 /nfs/dbraw/zinc/26/73/01/971267301.db2.gz XHMOTWYIAZOSPX-INIZCTEOSA-N -1 0 346.814 3.652 20 0 EHADRM O=C([O-])C1(CNC(=O)c2ccc(F)c3ccccc23)CCCCC1 ZINC000326387804 971288340 /nfs/dbraw/zinc/28/83/40/971288340.db2.gz NORCRQKJXXDERH-UHFFFAOYSA-N -1 0 329.371 3.744 20 0 EHADRM CC(C)OCc1ccc(C(=O)NCC2(CC(=O)[O-])CCCCC2)cc1 ZINC000326391335 971288837 /nfs/dbraw/zinc/28/88/37/971288837.db2.gz LGKNDBNECQGFHZ-UHFFFAOYSA-N -1 0 347.455 3.767 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)c1sccc1-n1cccc1 ZINC000326467988 971296104 /nfs/dbraw/zinc/29/61/04/971296104.db2.gz CJJLAHWKFVYECO-CQSZACIVSA-N -1 0 346.452 3.692 20 0 EHADRM CCO[C@@H](c1noc([C@@H]2CCC[C@@H](C(=O)[O-])C2)n1)c1ccccc1 ZINC000326507081 971299279 /nfs/dbraw/zinc/29/92/79/971299279.db2.gz JPJTWYQUNVERIS-RBSFLKMASA-N -1 0 330.384 3.554 20 0 EHADRM CCc1ccc(NC(=O)c2cc3c(c(Cl)c2)OCO3)c(C(=O)[O-])c1 ZINC000326751399 971324743 /nfs/dbraw/zinc/32/47/43/971324743.db2.gz LJTWELTWCCWSHM-UHFFFAOYSA-N -1 0 347.754 3.582 20 0 EHADRM COc1cc(NC(=O)N2CCC(C(C)(C)C)CC2)ccc1C(=O)[O-] ZINC000326896200 971342086 /nfs/dbraw/zinc/34/20/86/971342086.db2.gz HSUZARFPMKITKF-UHFFFAOYSA-N -1 0 334.416 3.683 20 0 EHADRM CCc1ccc(CCC(=O)N(CCC(=O)[O-])c2ccccc2C)cc1 ZINC000327086113 971364563 /nfs/dbraw/zinc/36/45/63/971364563.db2.gz HOYJXIRJQDJKHY-UHFFFAOYSA-N -1 0 339.435 3.998 20 0 EHADRM CCCC[C@H](CCC)NC(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000327156720 971372713 /nfs/dbraw/zinc/37/27/13/971372713.db2.gz ZDXWMCWEAVIOEX-HNNXBMFYSA-N -1 0 332.444 3.811 20 0 EHADRM COc1ccc(NC(=O)Cc2cccc3ccccc32)c(C(=O)[O-])c1 ZINC000327197721 971375812 /nfs/dbraw/zinc/37/58/12/971375812.db2.gz MSWXEAHWLRVIFL-UHFFFAOYSA-N -1 0 335.359 3.728 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000327417917 971397501 /nfs/dbraw/zinc/39/75/01/971397501.db2.gz ICNOSJYNAWKJIG-MLGOLLRUSA-N -1 0 336.391 3.585 20 0 EHADRM O=C([O-])CC1(Cc2nnc(-c3cccc4ncccc43)o2)CCCC1 ZINC000327613046 971412507 /nfs/dbraw/zinc/41/25/07/971412507.db2.gz MLAAMBNWZIJWBW-UHFFFAOYSA-N -1 0 337.379 3.862 20 0 EHADRM CC(C)OCc1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC000327876600 971431277 /nfs/dbraw/zinc/43/12/77/971431277.db2.gz YNDYFAZRUYOXRE-UHFFFAOYSA-N -1 0 349.333 3.840 20 0 EHADRM CCC[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc21)C(=O)[O-] ZINC000002685559 948772291 /nfs/dbraw/zinc/77/22/91/948772291.db2.gz HKQTUHZLOCNFQA-SFHVURJKSA-N -1 0 348.402 3.885 20 0 EHADRM Cc1ccccc1-n1cnnc1SCc1cccc(C(=O)[O-])c1 ZINC000013061592 948775288 /nfs/dbraw/zinc/77/52/88/948775288.db2.gz QFKKRZSYMRRFCI-UHFFFAOYSA-N -1 0 325.393 3.566 20 0 EHADRM CC[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)c1nc(-c2ccccc2)c[nH]1 ZINC001589568702 948891646 /nfs/dbraw/zinc/89/16/46/948891646.db2.gz PIHKWDSKLSNRPP-MRXNPFEDSA-N -1 0 349.390 3.656 20 0 EHADRM Cc1oc(CNC(=O)c2sc3cc(F)ccc3c2C)cc1C(=O)[O-] ZINC000342568415 971518875 /nfs/dbraw/zinc/51/88/75/971518875.db2.gz OBTLEFMJAQPUOG-UHFFFAOYSA-N -1 0 347.367 3.878 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc(OCc3cccnc3)c2)cc1 ZINC000346987844 971520653 /nfs/dbraw/zinc/52/06/53/971520653.db2.gz VXMYDKFYVRETEO-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM Cc1oc(CN(C)C(=O)Cc2csc3ccccc23)cc1C(=O)[O-] ZINC000346025717 971520710 /nfs/dbraw/zinc/52/07/10/971520710.db2.gz LIBOXWREJIAFIG-UHFFFAOYSA-N -1 0 343.404 3.702 20 0 EHADRM CCCC[C@H](NC(=O)c1cccc(N[C@@H](C)C(C)C)c1C)C(=O)[O-] ZINC000347257688 971521706 /nfs/dbraw/zinc/52/17/06/971521706.db2.gz IIDCEPLYUUDCRJ-YOEHRIQHSA-N -1 0 334.460 3.825 20 0 EHADRM CCCC[C@H](NC(=O)CCC(=O)c1ccc2ccccc2c1)C(=O)[O-] ZINC000347256175 971521748 /nfs/dbraw/zinc/52/17/48/971521748.db2.gz FYLMYWSWPMTWCQ-KRWDZBQOSA-N -1 0 341.407 3.562 20 0 EHADRM CCCC[C@H](NC(=O)c1cc2c(s1)-c1ccccc1CC2)C(=O)[O-] ZINC000347257983 971521976 /nfs/dbraw/zinc/52/19/76/971521976.db2.gz JCLHVLCOYIJZIN-HNNXBMFYSA-N -1 0 343.448 3.887 20 0 EHADRM CCCC[C@H](NC(=O)c1oc2ccccc2c1COC(C)C)C(=O)[O-] ZINC000347260189 971522056 /nfs/dbraw/zinc/52/20/56/971522056.db2.gz LLVNQYVODXNDJY-HNNXBMFYSA-N -1 0 347.411 3.731 20 0 EHADRM CSCc1ccc(NC(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC000347359594 971523883 /nfs/dbraw/zinc/52/38/83/971523883.db2.gz HNZZPQUALPHYKN-UHFFFAOYSA-N -1 0 329.421 3.819 20 0 EHADRM CCCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000362439068 971534916 /nfs/dbraw/zinc/53/49/16/971534916.db2.gz WCQZIADYERSPGW-QGZVFWFLSA-N -1 0 329.371 3.724 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001589587175 949064328 /nfs/dbraw/zinc/06/43/28/949064328.db2.gz MVQRXZMDJWDOLU-MRXNPFEDSA-N -1 0 328.364 3.594 20 0 EHADRM CC[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000366302094 971545535 /nfs/dbraw/zinc/54/55/35/971545535.db2.gz GNTSCAYRMIVZGJ-CEXWTWQISA-N -1 0 337.419 3.507 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@H](c2ccccc2C)C2CC2)C1 ZINC001589595347 949136306 /nfs/dbraw/zinc/13/63/06/949136306.db2.gz DPDQMRHUGYPQCJ-FXAWDEMLSA-N -1 0 344.455 3.733 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)o1 ZINC001595226388 949298754 /nfs/dbraw/zinc/29/87/54/949298754.db2.gz VVSGIVIICDTCHI-KKTNHOPESA-N -1 0 347.317 3.633 20 0 EHADRM O=C([O-])c1ccc(C(=O)Oc2cc(Br)ccc2F)cc1 ZINC001595226505 949300010 /nfs/dbraw/zinc/30/00/10/949300010.db2.gz ZGPSIKXGVULVTR-UHFFFAOYSA-N -1 0 339.116 3.506 20 0 EHADRM CC[C@@]1(C)Oc2ccc(NC(=O)c3coc(/C=C/C(=O)[O-])c3)cc2O1 ZINC001589611080 949322956 /nfs/dbraw/zinc/32/29/56/949322956.db2.gz VGUVLZUAYCZCMT-FZMUQLTDSA-N -1 0 343.335 3.527 20 0 EHADRM CC[C@@H]1CN(C(=O)NC[C@@H](C(=O)[O-])C(C)C)CC[C@H]1c1ccccc1 ZINC001589624375 949457118 /nfs/dbraw/zinc/45/71/18/949457118.db2.gz HJOKXMYDNMYPNS-KBAYOESNSA-N -1 0 346.471 3.569 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ncccc2OCc2ccccc2)c1 ZINC001595242014 949471956 /nfs/dbraw/zinc/47/19/56/949471956.db2.gz XONJGKDJXBGOPP-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cccn2Cc2cccs2)c1 ZINC000178178656 949488531 /nfs/dbraw/zinc/48/85/31/949488531.db2.gz YXOVEHAQUJBMQS-UHFFFAOYSA-N -1 0 326.377 3.548 20 0 EHADRM C[C@@](CNC(=O)Cc1ccc2ccccc2c1)(C(=O)[O-])c1ccccc1 ZINC000193086775 949518282 /nfs/dbraw/zinc/51/82/82/949518282.db2.gz SVKHHSDVJOHVAM-QFIPXVFZSA-N -1 0 347.414 3.541 20 0 EHADRM C[C@@](CNC(=O)c1ccc(C2CCC2)cc1)(C(=O)[O-])c1ccccc1 ZINC000193105816 949520623 /nfs/dbraw/zinc/52/06/23/949520623.db2.gz QTKBZVXDRRIQOA-NRFANRHFSA-N -1 0 337.419 3.726 20 0 EHADRM O=C([O-])c1csc(SCc2cc(Br)cs2)n1 ZINC000379025464 971592398 /nfs/dbraw/zinc/59/23/98/971592398.db2.gz UTLUWVHFVBREJY-UHFFFAOYSA-N -1 0 336.257 3.958 20 0 EHADRM CCC[C@@H]1[C@@H](C)CCCN1C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589637845 949636935 /nfs/dbraw/zinc/63/69/35/949636935.db2.gz RBXVQHBXJZHDDM-RFBLXINOSA-N -1 0 338.492 3.732 20 0 EHADRM CCCCC[C@H](NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1)c1ccccc1 ZINC001589642085 949701631 /nfs/dbraw/zinc/70/16/31/949701631.db2.gz KGXBYQJTCUENHY-BZSNNMDCSA-N -1 0 347.455 3.694 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)Nc2cc(Cl)c(F)c(Cl)c2)C1 ZINC000230912883 949738586 /nfs/dbraw/zinc/73/85/86/949738586.db2.gz QBZCNUQHLFEFSP-RQJHMYQMSA-N -1 0 335.162 3.507 20 0 EHADRM Cc1ccc(NC(=O)CSc2nc(C(=O)[O-])cs2)c(Cl)c1 ZINC000379169836 971607926 /nfs/dbraw/zinc/60/79/26/971607926.db2.gz OQHUDHAAGKWZAI-UHFFFAOYSA-N -1 0 342.829 3.534 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)c1ccc(-c2cccc(F)c2)s1)C1CC1 ZINC001602814627 971609423 /nfs/dbraw/zinc/60/94/23/971609423.db2.gz DANRUMHCQYCAAB-JTQLQIEISA-N -1 0 333.384 3.632 20 0 EHADRM CCc1ccc(NC(=O)c2coc(Br)c2)c(C(=O)[O-])c1 ZINC000379175218 971608839 /nfs/dbraw/zinc/60/88/39/971608839.db2.gz QHCSFBZXNZHSCL-UHFFFAOYSA-N -1 0 338.157 3.555 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)CC(C)(C)Cc1ccc(Cl)cc1 ZINC001589662886 949879253 /nfs/dbraw/zinc/87/92/53/949879253.db2.gz ZMBROHLOWAQNNE-UHFFFAOYSA-N -1 0 325.836 3.622 20 0 EHADRM O=C([O-])c1ccc(Br)c(NC(=O)c2ccc(Cl)o2)c1 ZINC000236480968 949918299 /nfs/dbraw/zinc/91/82/99/949918299.db2.gz KDIAAUFDMXKARI-UHFFFAOYSA-N -1 0 344.548 3.646 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000237618754 949968321 /nfs/dbraw/zinc/96/83/21/949968321.db2.gz UCUUJLJAFPEKJO-ZBFHGGJFSA-N -1 0 335.469 3.554 20 0 EHADRM Cc1sc(-c2ccco2)nc1C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000237714569 949976323 /nfs/dbraw/zinc/97/63/23/949976323.db2.gz JZRFAMIFESDSMX-LBPRGKRZSA-N -1 0 348.424 3.571 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nc1 ZINC000238056253 949991194 /nfs/dbraw/zinc/99/11/94/949991194.db2.gz RZWSTDQCNIDYKN-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM CCCOc1ccc(NC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)cc1C ZINC001589681313 950049652 /nfs/dbraw/zinc/04/96/52/950049652.db2.gz KAKBWCCHACTSMJ-ZIAGYGMSSA-N -1 0 334.416 3.501 20 0 EHADRM CCCOc1ccc(NC(=O)c2coc(/C=C/C(=O)[O-])c2)cc1F ZINC001589681395 950049842 /nfs/dbraw/zinc/04/98/42/950049842.db2.gz NFAPHWTVDXCMSU-GQCTYLIASA-N -1 0 333.315 3.558 20 0 EHADRM C[C@@H](CC(=O)N([C@@H](C)C(=O)[O-])C1CC1)c1cccc(C(F)(F)F)c1 ZINC000262578981 950141238 /nfs/dbraw/zinc/14/12/38/950141238.db2.gz FFQYUBUXAQKKOU-QWRGUYRKSA-N -1 0 343.345 3.663 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000263046902 950231405 /nfs/dbraw/zinc/23/14/05/950231405.db2.gz DCTQBQBCBMPUQL-IUCAKERBSA-N -1 0 331.199 3.568 20 0 EHADRM C[C@H](C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C)c1ccc2ccccc2c1 ZINC000263140359 950291346 /nfs/dbraw/zinc/29/13/46/950291346.db2.gz GPZQBQJERNRBPJ-SUNYJGFJSA-N -1 0 325.408 3.655 20 0 EHADRM C[C@@H]1CN(C(=O)C2(c3cccc(Cl)c3)CCCC2)CC[C@H]1C(=O)[O-] ZINC000263155449 950299051 /nfs/dbraw/zinc/29/90/51/950299051.db2.gz ZKGIIBNXLNWVBM-CZUORRHYSA-N -1 0 349.858 3.721 20 0 EHADRM CCN(C(=O)Nc1ccc2nc(C3CC3)sc2c1)[C@H](C)C(=O)[O-] ZINC001589707273 950306377 /nfs/dbraw/zinc/30/63/77/950306377.db2.gz QSSBPQUYVVVUET-SECBINFHSA-N -1 0 333.413 3.501 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCCCc2ccc(Cl)cc2Cl)C1 ZINC000263185663 950315195 /nfs/dbraw/zinc/31/51/95/950315195.db2.gz HVJBCIXNSBECLL-NWDGAFQWSA-N -1 0 344.238 3.543 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000263206680 950325924 /nfs/dbraw/zinc/32/59/24/950325924.db2.gz NAIHNAORYSOWPU-GDBMZVCRSA-N -1 0 331.456 3.628 20 0 EHADRM Cc1cccc(-c2ccc(CNC(=O)N(C)C[C@H](C)C(=O)[O-])cc2)c1 ZINC000263212746 950327992 /nfs/dbraw/zinc/32/79/92/950327992.db2.gz JAQKJDDDPRTUJG-HNNXBMFYSA-N -1 0 340.423 3.524 20 0 EHADRM CCOc1cccc2cc([C@@H](C)NC(=O)CCCCC(=O)[O-])oc21 ZINC000263230902 950336706 /nfs/dbraw/zinc/33/67/06/950336706.db2.gz AVTBKSVKDIOWCP-GFCCVEGCSA-N -1 0 333.384 3.654 20 0 EHADRM CCN(C(=O)c1sc2cccc(F)c2c1Cl)[C@@H](C)C(=O)[O-] ZINC001589713485 950348706 /nfs/dbraw/zinc/34/87/06/950348706.db2.gz SXHXHMNZLPSESB-ZETCQYMHSA-N -1 0 329.780 3.629 20 0 EHADRM CCN(Cc1c(F)cccc1F)C(=O)Nc1ccccc1C(=O)[O-] ZINC001589736363 950538641 /nfs/dbraw/zinc/53/86/41/950538641.db2.gz RPIVASNRQGCPRN-UHFFFAOYSA-N -1 0 334.322 3.717 20 0 EHADRM O=C([O-])c1cc(NC(=O)/C=C\c2cc(Cl)cc(Cl)c2)ccn1 ZINC000315651355 950852091 /nfs/dbraw/zinc/85/20/91/950852091.db2.gz BOQWLHMJVBSOTG-UPHRSURJSA-N -1 0 337.162 3.739 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000315930082 950860266 /nfs/dbraw/zinc/86/02/66/950860266.db2.gz PMXWVFIMNOQBRU-NSHDSACASA-N -1 0 328.771 3.730 20 0 EHADRM Cc1nc(Cl)c(Cl)cc1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000319328868 950956359 /nfs/dbraw/zinc/95/63/59/950956359.db2.gz MKBCIGSKIGOXHF-UHFFFAOYSA-N -1 0 339.178 3.576 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)NCc2ccccc2Cl)c1 ZINC000322900570 951038661 /nfs/dbraw/zinc/03/86/61/951038661.db2.gz HCSDKWKTKWYQQD-UHFFFAOYSA-N -1 0 332.787 3.679 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2cc3ccccc3c(Cl)n2)C1 ZINC000326456795 951100680 /nfs/dbraw/zinc/10/06/80/951100680.db2.gz PROZJAZMTUGMEE-GFCCVEGCSA-N -1 0 346.814 3.605 20 0 EHADRM Cc1[nH]c2c(cccc2C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1C ZINC000347340165 951133589 /nfs/dbraw/zinc/13/35/89/951133589.db2.gz FFIYFEDLVZFMGI-SFHVURJKSA-N -1 0 348.402 3.609 20 0 EHADRM O=C([O-])CCC(=O)Oc1ccccc1-c1nc2ccccc2s1 ZINC001595001706 951137311 /nfs/dbraw/zinc/13/73/11/951137311.db2.gz UXNKSRGSRRFTSO-UHFFFAOYSA-N -1 0 327.361 3.734 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)C(F)(F)c1ccc(Cl)cc1 ZINC001595008584 951234717 /nfs/dbraw/zinc/23/47/17/951234717.db2.gz REJHBWKDTWSWES-ZDUSSCGKSA-N -1 0 345.773 3.678 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC001595008796 951237007 /nfs/dbraw/zinc/23/70/07/951237007.db2.gz WWGKSFUNRJJGEH-CQSZACIVSA-N -1 0 348.830 3.610 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)NC[C@@H]1CCCCC(F)(F)C1 ZINC001595010989 951241512 /nfs/dbraw/zinc/24/15/12/951241512.db2.gz DPUXCFCTKREBLU-KGLIPLIRSA-N -1 0 346.418 3.631 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001595011921 951250782 /nfs/dbraw/zinc/25/07/82/951250782.db2.gz AGHZBCAFCRNJMA-HRCADAONSA-N -1 0 335.831 3.689 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])c1cc(-c2cccc(Cl)c2)ncn1 ZINC001602867579 971731952 /nfs/dbraw/zinc/73/19/52/971731952.db2.gz XWVZOYFRDMBHKG-UHFFFAOYSA-N -1 0 333.819 3.734 20 0 EHADRM CCOc1c(Cl)cc(NC(=O)N(CC)[C@H](C)C(=O)[O-])cc1Cl ZINC001592008843 951290305 /nfs/dbraw/zinc/29/03/05/951290305.db2.gz BBAPTUXPDVISTR-MRVPVSSYSA-N -1 0 349.214 3.719 20 0 EHADRM CCOc1c(Cl)cccc1CC(=O)Nc1ccccc1C(=O)[O-] ZINC001592009752 951294636 /nfs/dbraw/zinc/29/46/36/951294636.db2.gz YDFNVJQNRYRHEH-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1 ZINC001592184702 951306572 /nfs/dbraw/zinc/30/65/72/951306572.db2.gz OHXPCOSBMCOSBV-MRXNPFEDSA-N -1 0 347.798 3.603 20 0 EHADRM C[C@@H]1CN(Cc2ccc(Br)c(Cl)c2)CC[C@H]1C(=O)[O-] ZINC000388376833 951330172 /nfs/dbraw/zinc/33/01/72/951330172.db2.gz MZBPTDATYZIFFJ-MWLCHTKSSA-N -1 0 346.652 3.645 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2cc3c(s2)CCCCCC3)C1 ZINC000390637974 951385834 /nfs/dbraw/zinc/38/58/34/951385834.db2.gz PBXWWRLSCQNVEM-ZDUSSCGKSA-N -1 0 335.469 3.734 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)N[C@H]2CCc3cc(F)ccc32)c1 ZINC001595066787 951557165 /nfs/dbraw/zinc/55/71/65/951557165.db2.gz QVQOVDWAKVXXPW-KRWDZBQOSA-N -1 0 342.370 3.652 20 0 EHADRM O=C([O-])CS[C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC001595124978 952006903 /nfs/dbraw/zinc/00/69/03/952006903.db2.gz BWLWPXGEYIZDGK-OAHLLOKOSA-N -1 0 326.377 3.644 20 0 EHADRM COc1cc(NC(=O)N(Cc2ccccc2)C2CC2)ccc1C(=O)[O-] ZINC000383593231 971879315 /nfs/dbraw/zinc/87/93/15/971879315.db2.gz RZPMSOJPKHUYPF-UHFFFAOYSA-N -1 0 340.379 3.590 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)NCC2(C3CCC3)CCC2)c2ccccc21 ZINC001594745541 953381800 /nfs/dbraw/zinc/38/18/00/953381800.db2.gz DKYBIIXBSCUVFO-IAGOWNOFSA-N -1 0 342.439 3.569 20 0 EHADRM Cc1[nH]c2c(cc(C)cc2CNC(=O)NCCCCCC(=O)[O-])c1C ZINC000414606143 953396963 /nfs/dbraw/zinc/39/69/63/953396963.db2.gz DEURCXPFPHBQAZ-UHFFFAOYSA-N -1 0 345.443 3.537 20 0 EHADRM CC(C)[C@H](CNC(=O)N(C)CCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000414613633 953399901 /nfs/dbraw/zinc/39/99/01/953399901.db2.gz SAKFAMYAIIAGLE-HNNXBMFYSA-N -1 0 340.851 3.586 20 0 EHADRM Cc1nc(NC(=O)NCCC(C)(C)C(=O)[O-])ccc1-c1ccccc1 ZINC000424385481 953454734 /nfs/dbraw/zinc/45/47/34/953454734.db2.gz GIGAOGZSOWPFAM-UHFFFAOYSA-N -1 0 341.411 3.679 20 0 EHADRM CCC[C@@H](NC(=O)NCCC(C)(C)C(=O)[O-])c1ccc(F)cc1F ZINC000424405670 953470925 /nfs/dbraw/zinc/47/09/25/953470925.db2.gz IGSRBHZQOUIXDB-CQSZACIVSA-N -1 0 342.386 3.606 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)NCCCC(F)(F)F)c1Cl ZINC001594757366 953476600 /nfs/dbraw/zinc/47/66/00/953476600.db2.gz XTWLPNHTULFYJN-UHFFFAOYSA-N -1 0 342.676 3.641 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N1CCCCC[C@H]1c1ccco1)C(=O)[O-] ZINC000424426545 953482413 /nfs/dbraw/zinc/48/24/13/953482413.db2.gz TUCQISRCBJIULW-GJZGRUSLSA-N -1 0 336.432 3.653 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)NC[C@H]2Cc3ccccc32)c1Cl ZINC001594762361 953504553 /nfs/dbraw/zinc/50/45/53/953504553.db2.gz LBRCQVWQLRJAGD-SNVBAGLBSA-N -1 0 348.761 3.639 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)c1cc(F)c(F)cc1Cl)C(=O)[O-] ZINC000449133932 953510620 /nfs/dbraw/zinc/51/06/20/953510620.db2.gz FYRVVBSVYRPDLY-GFCCVEGCSA-N -1 0 333.762 3.628 20 0 EHADRM C[C@@H](C(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000473961296 953525452 /nfs/dbraw/zinc/52/54/52/953525452.db2.gz VYGYJHBAVYLVLO-LLVKDONJSA-N -1 0 333.334 3.724 20 0 EHADRM O=C([O-])C1(CNC(=O)c2ccc(OCC3CCCCC3)cc2)CCC1 ZINC000532262742 953563650 /nfs/dbraw/zinc/56/36/50/953563650.db2.gz LJQHYGGICQJUQC-UHFFFAOYSA-N -1 0 345.439 3.630 20 0 EHADRM Cc1c(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)oc2c1c(C)ccc2C ZINC000532874778 953566572 /nfs/dbraw/zinc/56/65/72/953566572.db2.gz XMUYADJGUSQJPN-AWEZNQCLSA-N -1 0 329.396 3.685 20 0 EHADRM C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@H](CC(=O)[O-])C2)CC(C)(C)C1 ZINC001589285982 953571831 /nfs/dbraw/zinc/57/18/31/953571831.db2.gz KOURIUVKLYRVEL-BZUAXINKSA-N -1 0 338.492 3.735 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccccc2OC2CCCC2)C[C@H]1C(=O)[O-] ZINC000563145784 953596039 /nfs/dbraw/zinc/59/60/39/953596039.db2.gz BMISZRQWQJOXOF-DZGCQCFKSA-N -1 0 346.427 3.583 20 0 EHADRM C[C@H]1CCN(C(=O)C2CCC(c3ccccc3)CC2)C[C@@H]1C(=O)[O-] ZINC000564977858 953609393 /nfs/dbraw/zinc/60/93/93/953609393.db2.gz IRWIZPLWAMACBQ-KUQKPQIMSA-N -1 0 329.440 3.530 20 0 EHADRM CCc1ccc(CN(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])C2CC2)cc1 ZINC001593637718 953621192 /nfs/dbraw/zinc/62/11/92/953621192.db2.gz DTTYAHUSPSKSGW-QGZVFWFLSA-N -1 0 346.471 3.670 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)N[C@@H](C(=O)[O-])C(C)C ZINC001593638504 953628456 /nfs/dbraw/zinc/62/84/56/953628456.db2.gz PNCVFVOKERAQLA-CYBMUJFWSA-N -1 0 326.824 3.696 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(SCc3cccnc3)cc2)CCC1 ZINC000569245998 953648069 /nfs/dbraw/zinc/64/80/69/953648069.db2.gz UOXUGPVHLAMXRK-UHFFFAOYSA-N -1 0 342.420 3.567 20 0 EHADRM CCc1cccc(Oc2ccc(NC(=O)[C@H](C(=O)[O-])C(C)C)cn2)c1 ZINC001593642074 953653041 /nfs/dbraw/zinc/65/30/41/953653041.db2.gz WILXUWFZNLQEOY-QGZVFWFLSA-N -1 0 342.395 3.732 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC001602960809 971948364 /nfs/dbraw/zinc/94/83/64/971948364.db2.gz KISSUANZDRIIKZ-MSOLQXFVSA-N -1 0 331.456 3.605 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2cccc(-c3c(F)cccc3F)c2)C1 ZINC001594792433 953694912 /nfs/dbraw/zinc/69/49/12/953694912.db2.gz NZMARKWMCHMJKB-KGLIPLIRSA-N -1 0 345.345 3.615 20 0 EHADRM CCc1nc2ccc(NC(=O)[C@H](C(=O)[O-])C3CCCC3)cc2s1 ZINC001593651422 953710949 /nfs/dbraw/zinc/71/09/49/953710949.db2.gz SDDKBTQDWBYDEQ-OAHLLOKOSA-N -1 0 332.425 3.688 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000582063111 953722091 /nfs/dbraw/zinc/72/20/91/953722091.db2.gz PMUSDDSQPGTSQV-NOZJJQNGSA-N -1 0 335.400 3.532 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)Nc2ccc3ccccc3n2)c2ccccc21 ZINC001594806579 953784903 /nfs/dbraw/zinc/78/49/03/953784903.db2.gz RFCNGOFDJACCTC-WBVHZDCISA-N -1 0 347.374 3.670 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)Nc2ccc3ccccc3n2)c2ccccc21 ZINC001594806576 953784954 /nfs/dbraw/zinc/78/49/54/953784954.db2.gz RFCNGOFDJACCTC-DOTOQJQBSA-N -1 0 347.374 3.670 20 0 EHADRM C[C@H](NC(=O)c1cscc1C(F)(F)F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000621708149 953795524 /nfs/dbraw/zinc/79/55/24/953795524.db2.gz KETLXNHTIRBPRF-UJNFCWOMSA-N -1 0 349.374 3.632 20 0 EHADRM CC(C)CC[C@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)C(C)(C)C ZINC000626753591 953806538 /nfs/dbraw/zinc/80/65/38/953806538.db2.gz PMXPTPMDKNOUSD-KKUMJFAQSA-N -1 0 326.481 3.590 20 0 EHADRM C[C@@H]1CCC[C@H](CNC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)[C@@H]1C ZINC001589315887 953836372 /nfs/dbraw/zinc/83/63/72/953836372.db2.gz SHFUVDSUCFQPJC-GEYQNNLUSA-N -1 0 344.455 3.671 20 0 EHADRM O=C([O-])CC1(NC(=O)c2csc(C(F)(F)F)c2)CCCCC1 ZINC000630130087 953838428 /nfs/dbraw/zinc/83/84/28/953838428.db2.gz IPMIEJPWFFYWEN-UHFFFAOYSA-N -1 0 335.347 3.674 20 0 EHADRM C[C@@H]1CCCC[C@]1(C)NC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001589318875 953841182 /nfs/dbraw/zinc/84/11/82/953841182.db2.gz BOVYIVZBPXDAGM-OYWVLEMYSA-N -1 0 330.428 3.568 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccccc2OC2CCCC2)CC[C@H]1C(=O)[O-] ZINC000630558904 953858051 /nfs/dbraw/zinc/85/80/51/953858051.db2.gz RYTTYDOPSPHQLQ-DZGCQCFKSA-N -1 0 346.427 3.583 20 0 EHADRM C[C@@H]1CC[C@H](CC(=O)Nc2scc(-c3cnn(C)c3)c2C(=O)[O-])C1 ZINC001589323011 953881448 /nfs/dbraw/zinc/88/14/48/953881448.db2.gz DEEKTQUNPWLTEE-MNOVXSKESA-N -1 0 347.440 3.612 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000646144085 953924996 /nfs/dbraw/zinc/92/49/96/953924996.db2.gz UMCLPFRXKWONSI-HYVNUMGLSA-N -1 0 348.418 3.610 20 0 EHADRM CN(C(=O)[C@@H](C(=O)[O-])C(C)(C)C)c1nc2ccc(Cl)cc2s1 ZINC001593676410 953932350 /nfs/dbraw/zinc/93/23/50/953932350.db2.gz OFFWPTYNKMDMQS-NSHDSACASA-N -1 0 340.832 3.659 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@@H]1C(=O)[O-] ZINC000647689548 953962369 /nfs/dbraw/zinc/96/23/69/953962369.db2.gz WHINVRNRKPBAKL-WPRPVWTQSA-N -1 0 331.199 3.568 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc3c(cccc3Cl)s2)C[C@H]1C(=O)[O-] ZINC000647754752 953975696 /nfs/dbraw/zinc/97/56/96/953975696.db2.gz ANACPZCFHOYPRW-MWLCHTKSSA-N -1 0 337.828 3.738 20 0 EHADRM O=C([O-])[C@@H](C(=O)NCc1cccc(Cl)c1Cl)C1CCCC1 ZINC001594833873 954010684 /nfs/dbraw/zinc/01/06/84/954010684.db2.gz IOLJEOSILBVPFW-GFCCVEGCSA-N -1 0 330.211 3.501 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(-c3cccs3)s2)C[C@H]1C(=O)[O-] ZINC001589347855 954062803 /nfs/dbraw/zinc/06/28/03/954062803.db2.gz IMZCRIBBJUJBBV-WDEREUQCSA-N -1 0 335.450 3.659 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2cc(C(F)(F)F)ccc2F)CC=CCC1 ZINC000653282312 954093961 /nfs/dbraw/zinc/09/39/61/954093961.db2.gz VEZMAIQLCCICGQ-CQSZACIVSA-N -1 0 331.265 3.594 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)C1 ZINC000653291841 954100520 /nfs/dbraw/zinc/10/05/20/954100520.db2.gz BGHRMISMTUCLRK-QWHCGFSZSA-N -1 0 349.390 3.669 20 0 EHADRM C[C@H](NC(=O)[C@]1(C(=O)[O-])CC=CCC1)c1cccc(C(F)(F)F)c1 ZINC000653296974 954105810 /nfs/dbraw/zinc/10/58/10/954105810.db2.gz FTUDEJFINIHEBZ-ZBEGNZNMSA-N -1 0 341.329 3.694 20 0 EHADRM CC1CCN(c2cccc(NC(=O)[C@@]3(C(=O)[O-])CC=CCC3)c2)CC1 ZINC000653304810 954116600 /nfs/dbraw/zinc/11/66/00/954116600.db2.gz XSQKAJWRRZIUPA-HXUWFJFHSA-N -1 0 342.439 3.673 20 0 EHADRM CC(C)(C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1cccc(F)c1 ZINC000653335156 954167445 /nfs/dbraw/zinc/16/74/45/954167445.db2.gz MXPSGCIBWMFCQZ-SJORKVTESA-N -1 0 341.382 3.533 20 0 EHADRM CC(C)[C@@H](CNC(=O)Cc1csc2ccc(Cl)cc12)C(=O)[O-] ZINC000655564871 954204397 /nfs/dbraw/zinc/20/43/97/954204397.db2.gz TXVRQJQJQYTORL-CYBMUJFWSA-N -1 0 339.844 3.570 20 0 EHADRM CC(C)[C@@H](CNC(=O)C[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000655568732 954207287 /nfs/dbraw/zinc/20/72/87/954207287.db2.gz RATDYSYUFZEUQU-DGCLKSJQSA-N -1 0 345.361 3.672 20 0 EHADRM CC(C)[C@H](CNC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000655570303 954208217 /nfs/dbraw/zinc/20/82/17/954208217.db2.gz ZTYSQVGABSRJTM-RISCZKNCSA-N -1 0 345.361 3.672 20 0 EHADRM C[C@@H](NC(=O)C[C@H](C)c1ccccc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655580018 954220569 /nfs/dbraw/zinc/22/05/69/954220569.db2.gz FANYVTGRXXQIPT-MYZSUADSSA-N -1 0 335.419 3.571 20 0 EHADRM C[C@H](NC(=O)[C@@]1(C)CCCc2ccccc21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655586416 954228406 /nfs/dbraw/zinc/22/84/06/954228406.db2.gz TUCPOUAEZLPQPT-XTGKAWNFSA-N -1 0 343.467 3.532 20 0 EHADRM O=C([O-])C1(C(=O)NCC2(Sc3ccccc3)CCCC2)CC=CC1 ZINC001594857029 954248050 /nfs/dbraw/zinc/24/80/50/954248050.db2.gz RZSHRSMFGQTCAZ-UHFFFAOYSA-N -1 0 345.464 3.629 20 0 EHADRM O=C([O-])[C@]1(C(=O)NCC2(c3ccc(F)cc3)CCCC2)CC=CCC1 ZINC001594857054 954248267 /nfs/dbraw/zinc/24/82/67/954248267.db2.gz SNKYCPSRBQFCNV-HXUWFJFHSA-N -1 0 345.414 3.565 20 0 EHADRM CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655884785 954267277 /nfs/dbraw/zinc/26/72/77/954267277.db2.gz PALCVAVCEDFUIA-ZDUSSCGKSA-N -1 0 338.835 3.539 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2F)Cc2ccccc21 ZINC001589386312 954307612 /nfs/dbraw/zinc/30/76/12/954307612.db2.gz FQRLETVFXVFMTM-NSHDSACASA-N -1 0 328.343 3.675 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1coc(/C=C\C(=O)[O-])c1)c1ccccc1 ZINC001602983145 972003997 /nfs/dbraw/zinc/00/39/97/972003997.db2.gz HYGKGDJGOGJLPV-XZVRFQMRSA-N -1 0 327.380 3.547 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1Cc2ccc(Cl)cc2C1)CC(=O)[O-] ZINC000659416415 954339549 /nfs/dbraw/zinc/33/95/49/954339549.db2.gz ZJHWGFWTQLTFAZ-LBPRGKRZSA-N -1 0 338.835 3.502 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)CC(C)(C)Cc1ccc(Cl)cc1 ZINC001593742310 954363618 /nfs/dbraw/zinc/36/36/18/954363618.db2.gz IACSUJIMPSSDOK-UHFFFAOYSA-N -1 0 325.836 3.622 20 0 EHADRM CCN(C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1)[C@@H](C)C(=O)[O-] ZINC000659773173 954368820 /nfs/dbraw/zinc/36/88/20/954368820.db2.gz VDMFQEYZLCXUCI-MNOVXSKESA-N -1 0 331.334 3.521 20 0 EHADRM CC(C)(CCNC(=O)/C=C\c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000385677960 972008766 /nfs/dbraw/zinc/00/87/66/972008766.db2.gz CJPOJINKONPBOZ-ARJAWSKDSA-N -1 0 330.211 3.624 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000659781760 954372789 /nfs/dbraw/zinc/37/27/89/954372789.db2.gz QDNKYQBNRJKQCP-ZDUSSCGKSA-N -1 0 345.361 3.682 20 0 EHADRM CC(C)[C@H](CNC(=O)N[C@H]1C[C@@H](C(C)C)c2ccccc21)C(=O)[O-] ZINC001602985065 972013920 /nfs/dbraw/zinc/01/39/20/972013920.db2.gz PVLIEABVJKBNEB-ULQDDVLXSA-N -1 0 332.444 3.527 20 0 EHADRM O=C([O-])[C@H](C(=O)N1CCC(c2cccc3ccccc32)CC1)C1CC1 ZINC000663086167 954465568 /nfs/dbraw/zinc/46/55/68/954465568.db2.gz JZZXJNORFPIPOX-IBGZPJMESA-N -1 0 337.419 3.657 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000663121292 954515721 /nfs/dbraw/zinc/51/57/21/954515721.db2.gz XODOPJPEHWASEV-RDGPPVDQSA-N -1 0 335.403 3.528 20 0 EHADRM Cc1ccc(-c2nc(CC(=O)Nc3ccccc3C(=O)[O-])cs2)o1 ZINC000681680547 954598087 /nfs/dbraw/zinc/59/80/87/954598087.db2.gz MJOCCFPRRNITNQ-UHFFFAOYSA-N -1 0 342.376 3.591 20 0 EHADRM CC[C@@H](C)[C@H]1CCCCN1C(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001589456908 954834929 /nfs/dbraw/zinc/83/49/29/954834929.db2.gz CJUMIXGLVJCNPT-OWCLPIDISA-N -1 0 326.481 3.734 20 0 EHADRM CC[C@@H](C)N(Cc1ccccc1)C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001589459024 954856128 /nfs/dbraw/zinc/85/61/28/954856128.db2.gz RXMXIOGTVCHVOH-CYBMUJFWSA-N -1 0 327.384 3.612 20 0 EHADRM CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC001589462443 954862945 /nfs/dbraw/zinc/86/29/45/954862945.db2.gz FCARPQVPASRFKQ-CJNGLKHVSA-N -1 0 335.444 3.535 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc3ncsc3c2)ccc1Cl ZINC000386367379 972048337 /nfs/dbraw/zinc/04/83/37/972048337.db2.gz FKRQDWDLXKHKLE-UHFFFAOYSA-N -1 0 332.768 3.900 20 0 EHADRM CNc1ccc(C(F)(F)F)cc1C(=O)Nc1ccccc1C(=O)[O-] ZINC001593803501 954867593 /nfs/dbraw/zinc/86/75/93/954867593.db2.gz CZPDDJYZZYOGOE-UHFFFAOYSA-N -1 0 338.285 3.698 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N1c2ccccc2C(C)(C)[C@@H]1C)C(=O)[O-] ZINC001603008999 972059623 /nfs/dbraw/zinc/05/96/23/972059623.db2.gz NXXQGNKIUWSSJE-KBPBESRZSA-N -1 0 332.444 3.629 20 0 EHADRM CCC(CC)(CNC(=O)N1CC[C@H](C(C)(C)C)C[C@@H]1C)C(=O)[O-] ZINC001589489220 955006150 /nfs/dbraw/zinc/00/61/50/955006150.db2.gz OIMZILZWZVOOCZ-KBPBESRZSA-N -1 0 326.481 3.734 20 0 EHADRM CCC(CC)(CNC(=O)N1c2ccc(Cl)cc2C[C@H]1C)C(=O)[O-] ZINC001589489431 955010453 /nfs/dbraw/zinc/01/04/53/955010453.db2.gz LKYSCIDNHYQVIK-LLVKDONJSA-N -1 0 338.835 3.692 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)co1 ZINC001594965189 955045228 /nfs/dbraw/zinc/04/52/28/955045228.db2.gz DHSTXMBJMGHFIP-URWSZGRFSA-N -1 0 345.782 3.661 20 0 EHADRM CC(C)C[C@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC001603011670 972064141 /nfs/dbraw/zinc/06/41/41/972064141.db2.gz BNGCLIARORSQLX-LLVKDONJSA-N -1 0 347.242 3.540 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)NCc2ccc(Cl)c(Cl)c2)co1 ZINC001594969065 955085783 /nfs/dbraw/zinc/08/57/83/955085783.db2.gz UNAGUUYWJIODOT-DUXPYHPUSA-N -1 0 340.162 3.614 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)/C=C\c2ccc(-c3ccc(F)cc3)s2)C1 ZINC000769511960 955320544 /nfs/dbraw/zinc/32/05/44/955320544.db2.gz XJHCZEQQDKRRGU-WOLRVDTOSA-N -1 0 345.395 3.501 20 0 EHADRM CC(C)C[C@H](CNC(=O)NCC[C@@H]1CCCC1(C)C)CC(=O)[O-] ZINC001603041505 972101464 /nfs/dbraw/zinc/10/14/64/972101464.db2.gz APACDSBERWNTQN-GJZGRUSLSA-N -1 0 326.481 3.639 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccc(F)cc2OC2CCCC2)C1 ZINC000840943472 955566694 /nfs/dbraw/zinc/56/66/94/955566694.db2.gz ZJGQUMYKRCHTBC-NWDGAFQWSA-N -1 0 335.375 3.587 20 0 EHADRM CCN(C(=O)c1sc(-c2cccs2)nc1C)C(C)(C)C(=O)[O-] ZINC000387266243 972114342 /nfs/dbraw/zinc/11/43/42/972114342.db2.gz GKRVQVBVAMSPJJ-UHFFFAOYSA-N -1 0 338.454 3.505 20 0 EHADRM C[C@@H](NC(=O)CCCC(=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000844246670 955660847 /nfs/dbraw/zinc/66/08/47/955660847.db2.gz NCUGFVCXSJMTTH-OAHLLOKOSA-N -1 0 325.408 3.578 20 0 EHADRM CC(C)(CNC(=O)CCCC(=O)[O-])c1c(Cl)cccc1Cl ZINC000844251010 955668532 /nfs/dbraw/zinc/66/85/32/955668532.db2.gz VLFOJKSVJVIMFU-UHFFFAOYSA-N -1 0 332.227 3.642 20 0 EHADRM Cc1nc(NC(=O)CCCCC(=O)[O-])sc1Cc1ccccc1 ZINC000848448246 955734952 /nfs/dbraw/zinc/73/49/52/955734952.db2.gz LHIFINLSIBYQLH-UHFFFAOYSA-N -1 0 332.425 3.626 20 0 EHADRM CCOC(=O)Nc1ccc(NC(=O)C2(C(=O)[O-])CCCCCC2)cc1 ZINC000852946330 955863115 /nfs/dbraw/zinc/86/31/15/955863115.db2.gz PSDOPBPFONEKGX-UHFFFAOYSA-N -1 0 348.399 3.619 20 0 EHADRM CN(Cc1ccccc1)c1ccc(NC(=O)C2(C(=O)[O-])CCC2)cc1 ZINC000852950656 955872504 /nfs/dbraw/zinc/87/25/04/955872504.db2.gz RUAKMWQPHYGJPM-UHFFFAOYSA-N -1 0 338.407 3.516 20 0 EHADRM Cn1nc(C(=O)[O-])cc1C[N@H+](Cc1ccccc1)[C@H]1CCCC1(C)C ZINC001594571771 955891351 /nfs/dbraw/zinc/89/13/51/955891351.db2.gz JJXQZTPYRNSRIZ-SFHVURJKSA-N -1 0 341.455 3.699 20 0 EHADRM C[C@H](NC(=O)C1(C(=O)[O-])CCCCC1)c1ccc(OC(F)F)cc1 ZINC001589089829 955925624 /nfs/dbraw/zinc/92/56/24/955925624.db2.gz KTWWHVLLTRCXDT-NSHDSACASA-N -1 0 341.354 3.500 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)[C@H](C)c1ccccc1 ZINC001589108604 956047312 /nfs/dbraw/zinc/04/73/12/956047312.db2.gz LHDJDOFHVVIESD-UONOGXRCSA-N -1 0 326.396 3.627 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000872718370 956061492 /nfs/dbraw/zinc/06/14/92/956061492.db2.gz PKVSZDZUDOOQNQ-WMZOPIPTSA-N -1 0 331.456 3.667 20 0 EHADRM CN(CCCCc1ccccc1)C(=O)NCc1ccccc1C(=O)[O-] ZINC000874409719 956182635 /nfs/dbraw/zinc/18/26/35/956182635.db2.gz XBYWBGVFZKDESC-UHFFFAOYSA-N -1 0 340.423 3.549 20 0 EHADRM CC(C)Sc1ccc(COC(=O)c2ccc(C(=O)[O-])cn2)cc1 ZINC001603087738 972161644 /nfs/dbraw/zinc/16/16/44/972161644.db2.gz KKCNENUQWTXNRV-UHFFFAOYSA-N -1 0 331.393 3.637 20 0 EHADRM COC(OC)c1ccc(F)c(CNc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001593944898 956318627 /nfs/dbraw/zinc/31/86/27/956318627.db2.gz PJTAHVCIXXSPNX-UHFFFAOYSA-N -1 0 333.359 3.736 20 0 EHADRM CC(C)c1ccccc1OCCNC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001603105936 972178489 /nfs/dbraw/zinc/17/84/89/972178489.db2.gz MZRZIBYXTOSXGT-UHFFFAOYSA-N -1 0 347.455 3.730 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)C1(C(=O)[O-])CCSCC1)CC2 ZINC000901629594 956393192 /nfs/dbraw/zinc/39/31/92/956393192.db2.gz MCBUXACACOMOJD-MRXNPFEDSA-N -1 0 347.480 3.512 20 0 EHADRM C[C@H](SCCC(=O)[O-])c1nc(Cc2ccc(Cl)cc2)no1 ZINC001589169011 956451656 /nfs/dbraw/zinc/45/16/56/956451656.db2.gz AYMDSVSZAZDPDW-VIFPVBQESA-N -1 0 326.805 3.583 20 0 EHADRM CCCN(CCc1cccc(F)c1)C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC000901849539 956501925 /nfs/dbraw/zinc/50/19/25/956501925.db2.gz XKOOMLWKIRBOCA-SREVYHEPSA-N -1 0 345.370 3.611 20 0 EHADRM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2coc(/C=C/C(=O)[O-])c2)C1 ZINC000901857067 956504868 /nfs/dbraw/zinc/50/48/68/956504868.db2.gz IAPCAUPGIPVKOM-COUNWCFPSA-N -1 0 343.354 3.740 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)o1 ZINC001594670230 956613937 /nfs/dbraw/zinc/61/39/37/956613937.db2.gz PEGUJOWUJRZSPH-LXJJZASNSA-N -1 0 339.391 3.519 20 0 EHADRM O=C(/C=C/c1ccc(C(=O)[O-])o1)NCc1cc2ccccc2s1 ZINC001594672186 956621116 /nfs/dbraw/zinc/62/11/16/956621116.db2.gz BJGYYKFLBNAXKI-SOFGYWHQSA-N -1 0 327.361 3.522 20 0 EHADRM O=C(/C=C/c1ccc(C(=O)[O-])o1)Nc1ncccc1-c1ccccc1 ZINC001594673791 956639974 /nfs/dbraw/zinc/63/99/74/956639974.db2.gz KJQXGBKMAMAVJM-PKNBQFBNSA-N -1 0 334.331 3.692 20 0 EHADRM CC1(C)CN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)[C@@H]1c1cccs1 ZINC000902097553 956649954 /nfs/dbraw/zinc/64/99/54/956649954.db2.gz KKFFITORWQAOIS-DDJMYBDESA-N -1 0 331.393 3.662 20 0 EHADRM CC(C)c1cc(Cl)ccc1NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC000902177048 956677033 /nfs/dbraw/zinc/67/70/33/956677033.db2.gz HXNIIDNAFRBREY-AAEUAGOBSA-N -1 0 339.819 3.672 20 0 EHADRM CC1(C)[C@H](c2ccccc2)CCN1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001589209986 956680882 /nfs/dbraw/zinc/68/08/82/956680882.db2.gz QIBZIKPQJLJAAN-HNNXBMFYSA-N -1 0 339.395 3.580 20 0 EHADRM C[C@H](CC(=O)Nc1cncc(C(=O)[O-])c1)Cc1ccc(Cl)cc1 ZINC001603120707 972205020 /nfs/dbraw/zinc/20/50/20/972205020.db2.gz NYZKIWLLXAGPSY-NSHDSACASA-N -1 0 332.787 3.641 20 0 EHADRM CC1(C)CC(CNC(=O)C2(C(=O)[O-])CCSCC2)CC(C)(C)C1 ZINC001589214395 956725013 /nfs/dbraw/zinc/72/50/13/956725013.db2.gz SHLGRWPQBUHRLO-UHFFFAOYSA-N -1 0 341.517 3.553 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCc1ccc(Oc2ccccc2)cc1 ZINC001589217300 956732375 /nfs/dbraw/zinc/73/23/75/956732375.db2.gz HFUKZXYLRPWBJH-FQEVSTJZSA-N -1 0 339.391 3.596 20 0 EHADRM CC1(C)CCC[C@H]1CCNC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001589225883 956793477 /nfs/dbraw/zinc/79/34/77/956793477.db2.gz NKFGVFHKHVYXIG-DOTOQJQBSA-N -1 0 344.455 3.596 20 0 EHADRM C[C@@H](NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1cccc(SC(F)(F)F)c1 ZINC000902756762 956799770 /nfs/dbraw/zinc/79/97/70/956799770.db2.gz LJLXYQWRGBVVQA-GGZOMVNGSA-N -1 0 347.358 3.587 20 0 EHADRM O=C([O-])c1ccc(CNc2ccc(OC[C@@H]3CCCO3)cc2)s1 ZINC000903673849 956853537 /nfs/dbraw/zinc/85/35/37/956853537.db2.gz KPZNGOYQCGGPAC-AWEZNQCLSA-N -1 0 333.409 3.616 20 0 EHADRM O=C([O-])c1ccc(CNc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)s1 ZINC000903686278 956865362 /nfs/dbraw/zinc/86/53/62/956865362.db2.gz GSZJARRNGFSLCG-HZPDHXFCSA-N -1 0 347.436 3.741 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)NCc1c(Cl)oc2ccccc21 ZINC001594709673 956866771 /nfs/dbraw/zinc/86/67/71/956866771.db2.gz FQEJTMGSMSLPGK-UHFFFAOYSA-N -1 0 343.766 3.643 20 0 EHADRM C[C@@]1(CCNC(=O)Nc2ccc(C(=O)[O-])cc2F)CC1(Cl)Cl ZINC001589239893 956870663 /nfs/dbraw/zinc/87/06/63/956870663.db2.gz ULBSVFQWFWPBKC-CYBMUJFWSA-N -1 0 349.189 3.619 20 0 EHADRM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000011861566 956895498 /nfs/dbraw/zinc/89/54/98/956895498.db2.gz DTLOTTCVWLSKIE-LBPRGKRZSA-N -1 0 334.803 3.514 20 0 EHADRM O=C([O-])c1ccccc1OCCOc1ccc(Br)cc1 ZINC000011951015 956899046 /nfs/dbraw/zinc/89/90/46/956899046.db2.gz SLNFRTWUYBPBHE-UHFFFAOYSA-N -1 0 337.169 3.605 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OCCOc1cc(C)ccc1C ZINC000011956444 956899853 /nfs/dbraw/zinc/89/98/53/956899853.db2.gz BYCUPSZSVUFRBX-VQHVLOKHSA-N -1 0 342.391 3.868 20 0 EHADRM COc1cccc(-c2nnc(SCc3ccc(C(=O)[O-])cc3)o2)c1 ZINC000012178824 956903295 /nfs/dbraw/zinc/90/32/95/956903295.db2.gz DXAOWUUPNCGYCU-UHFFFAOYSA-N -1 0 342.376 3.736 20 0 EHADRM CCCOc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1OCC ZINC000013165982 956946684 /nfs/dbraw/zinc/94/66/84/956946684.db2.gz AKWSCOBRUGAVAC-UHFFFAOYSA-N -1 0 343.379 3.825 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cccc2ccccc21)c1ccc(F)cc1 ZINC000013176396 956956884 /nfs/dbraw/zinc/95/68/84/956956884.db2.gz WHZUIHCYNFWHDR-SFHVURJKSA-N -1 0 337.350 3.925 20 0 EHADRM CCC1(NC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CCCCC1 ZINC000389501860 972231029 /nfs/dbraw/zinc/23/10/29/972231029.db2.gz WPLHWHCADNOHCV-UHFFFAOYSA-N -1 0 326.343 3.897 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)cc2C1 ZINC000013225670 956984268 /nfs/dbraw/zinc/98/42/68/956984268.db2.gz WCCJQWXTZYGVIA-DHMWGJHJSA-N -1 0 347.480 3.731 20 0 EHADRM C[C@@H](c1ccc(C(=O)NC(C)(C)CCC(=O)[O-])cc1)C(F)(F)F ZINC000908946021 956996381 /nfs/dbraw/zinc/99/63/81/956996381.db2.gz GQKKINUDNDWFFU-JTQLQIEISA-N -1 0 331.334 3.726 20 0 EHADRM Cc1ccsc1CCCC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000909031256 956997720 /nfs/dbraw/zinc/99/77/20/956997720.db2.gz AGYLCWMFRIJUGQ-GOSISDBHSA-N -1 0 343.448 3.590 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(C(=O)[O-])c2)nn1C1CCCCC1 ZINC000909083242 957003235 /nfs/dbraw/zinc/00/32/35/957003235.db2.gz MQSDRTFYQOJOJM-UHFFFAOYSA-N -1 0 327.384 3.647 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC[C@H](C3CC3)C2)c2ccccc21 ZINC001594726357 957008706 /nfs/dbraw/zinc/00/87/06/957008706.db2.gz MKURRRFVVBZFOM-JFTQMJAMSA-N -1 0 342.439 3.568 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)C[C@@H](c2ccc(O)cc2)C2CC2)c1 ZINC000909331625 957012315 /nfs/dbraw/zinc/01/23/15/957012315.db2.gz DZKVGOGDPYDBOG-GOSISDBHSA-N -1 0 339.391 3.542 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC001589257939 957014749 /nfs/dbraw/zinc/01/47/49/957014749.db2.gz DSXAXRAHGAWHCN-FDARSICLSA-N -1 0 335.403 3.641 20 0 EHADRM Cc1c2cccc(Cl)c2[nH]c1C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000909499659 957024425 /nfs/dbraw/zinc/02/44/25/957024425.db2.gz WLEOILGZYVQIGL-NSHDSACASA-N -1 0 334.803 3.599 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCc1cc(-c2cccs2)on1 ZINC000013420401 957063113 /nfs/dbraw/zinc/06/31/13/957063113.db2.gz GNDJGVOHYXBAPM-UHFFFAOYSA-N -1 0 331.349 3.689 20 0 EHADRM CCc1sc(C(=O)N(CCC(=O)[O-])Cc2ccccc2)cc1C ZINC000013428735 957068547 /nfs/dbraw/zinc/06/85/47/957068547.db2.gz XBGARNUTPBYVQD-UHFFFAOYSA-N -1 0 331.437 3.736 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1 ZINC000013439944 957077407 /nfs/dbraw/zinc/07/74/07/957077407.db2.gz GLISDRGRRRUOHM-UHFFFAOYSA-N -1 0 329.421 3.896 20 0 EHADRM Cc1cccc(OCCCC(=O)N(C)c2ccccc2C(=O)[O-])c1 ZINC000013441152 957080168 /nfs/dbraw/zinc/08/01/68/957080168.db2.gz HMWJAMIZVREIFI-UHFFFAOYSA-N -1 0 327.380 3.515 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2ccccc2OCC2CC2)C1 ZINC000926042445 957140234 /nfs/dbraw/zinc/14/02/34/957140234.db2.gz KRKBAQYXKDFCIA-IBGZPJMESA-N -1 0 346.427 3.584 20 0 EHADRM Cc1nc(-c2ccc3c(c2)CCN3C(=O)CCCCC(=O)[O-])cs1 ZINC001118322998 957169006 /nfs/dbraw/zinc/16/90/06/957169006.db2.gz ZTINKTSJYDXOHD-UHFFFAOYSA-N -1 0 344.436 3.653 20 0 EHADRM CCc1oc2ccccc2c1C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001320760632 957306407 /nfs/dbraw/zinc/30/64/07/957306407.db2.gz XWMSNZKQYARDLB-UHFFFAOYSA-N -1 0 329.396 3.712 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)/C=C/c1cc(Cl)cc(Cl)c1 ZINC000037589921 957311769 /nfs/dbraw/zinc/31/17/69/957311769.db2.gz NSYCPMSLBDVEGP-YEZKRMTDSA-N -1 0 330.211 3.718 20 0 EHADRM CC(C)(CCNC(=O)N1C[C@H]2CCCC[C@@]21c1ccccc1)C(=O)[O-] ZINC001326584439 957326766 /nfs/dbraw/zinc/32/67/66/957326766.db2.gz WSEMVVOTCHCMGD-OXQOHEQNSA-N -1 0 344.455 3.598 20 0 EHADRM CCN(C(=O)/C=C/c1cc(Cl)cc(Cl)c1)C(C)(C)C(=O)[O-] ZINC000061149455 957574627 /nfs/dbraw/zinc/57/46/27/957574627.db2.gz AKECHXCJMWHNPK-AATRIKPKSA-N -1 0 330.211 3.718 20 0 EHADRM CCn1nc(C(C)C)cc1C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000390327891 972276200 /nfs/dbraw/zinc/27/62/00/972276200.db2.gz ZBURZGYYCDSBRR-UHFFFAOYSA-N -1 0 335.791 3.630 20 0 EHADRM CC(C)c1ccc(C2(C(=O)NCC3(C(=O)[O-])CCC3)CCC2)cc1 ZINC001328382053 957675410 /nfs/dbraw/zinc/67/54/10/957675410.db2.gz XGZWUDSAUJPCPL-UHFFFAOYSA-N -1 0 329.440 3.603 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N(CC(F)(F)F)[C@H](C)C(C)C)c1 ZINC001594281730 957754479 /nfs/dbraw/zinc/75/44/79/957754479.db2.gz DDNQSQCVNYZVND-LLVKDONJSA-N -1 0 331.334 3.742 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)Nc2cccc(Cl)c2)C[C@H]1c1ccccc1 ZINC001574777648 957776274 /nfs/dbraw/zinc/77/62/74/957776274.db2.gz ZFAGICPETCAFFR-JKSUJKDBSA-N -1 0 344.798 3.672 20 0 EHADRM O=C([O-])c1c(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)nc2ccccn21 ZINC001574788727 957797515 /nfs/dbraw/zinc/79/75/15/957797515.db2.gz WBQJWSHWIDVIOL-HZSPNIEDSA-N -1 0 341.411 3.578 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2ccc(OCC(F)F)cc2)c1 ZINC001594289228 957809865 /nfs/dbraw/zinc/80/98/65/957809865.db2.gz RIHNWKIBFBSYAG-UHFFFAOYSA-N -1 0 335.306 3.589 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Oc2ccc(NC(=O)C(C)C)cc2)c1 ZINC001594289385 957813309 /nfs/dbraw/zinc/81/33/09/957813309.db2.gz RQLLGHXPTKWDGU-UHFFFAOYSA-N -1 0 341.363 3.507 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N(Cc2ccccc2F)C2CCC2)o1 ZINC001574799278 957828709 /nfs/dbraw/zinc/82/87/09/957828709.db2.gz FMAIJUBKTQARHU-LUAWRHEFSA-N -1 0 343.354 3.711 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N2CC[C@@H]2c2ccc(Cl)cc2)o1 ZINC001574799077 957828871 /nfs/dbraw/zinc/82/88/71/957828871.db2.gz AYYCICLWPSWHHP-IQCBXXCUSA-N -1 0 331.755 3.618 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1F ZINC000390621731 972295773 /nfs/dbraw/zinc/29/57/73/972295773.db2.gz ZQAKCNMOZSPQLW-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@H]2[C@@H]3c4ccc(Cl)cc4C[C@H]23)cc1 ZINC001574803284 957847328 /nfs/dbraw/zinc/84/73/28/957847328.db2.gz YLTPMIHCXLTDEK-GVDBMIGSSA-N -1 0 342.778 3.667 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2cccc(Cl)c2Cl)CCCC1 ZINC000084155453 957862878 /nfs/dbraw/zinc/86/28/78/957862878.db2.gz RYZGSHDMAKMBKI-UHFFFAOYSA-N -1 0 331.199 3.902 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2sc3ncccc3c2Cl)c1 ZINC001574808968 957866702 /nfs/dbraw/zinc/86/67/02/957866702.db2.gz BUXHJNCFSUXZOO-UHFFFAOYSA-N -1 0 346.795 3.578 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)C1(Cc2cccc(F)c2)CCC1 ZINC001574810666 957875464 /nfs/dbraw/zinc/87/54/64/957875464.db2.gz KVOPAXWAEFRGKH-UHFFFAOYSA-N -1 0 341.382 3.553 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC001339845558 957892462 /nfs/dbraw/zinc/89/24/62/957892462.db2.gz NBWMDKLEKLLAQE-MORSLUCNSA-N -1 0 338.407 3.668 20 0 EHADRM COc1ccc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1Cl ZINC000391011020 972311793 /nfs/dbraw/zinc/31/17/93/972311793.db2.gz WHFQONWWACMDGC-HNNXBMFYSA-N -1 0 331.799 3.533 20 0 EHADRM CC(C)c1ccc(C[C@H](C)NC(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC001603200114 972307585 /nfs/dbraw/zinc/30/75/85/972307585.db2.gz UHEVASFUFKYSJI-DOTOQJQBSA-N -1 0 346.471 3.637 20 0 EHADRM COc1cc(C(=O)Nc2ccccc2C(=O)[O-])ccc1C(F)(F)F ZINC001594050512 957980834 /nfs/dbraw/zinc/98/08/34/957980834.db2.gz HCKHWRFIJYMRJQ-UHFFFAOYSA-N -1 0 339.269 3.665 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC001603200150 972308206 /nfs/dbraw/zinc/30/82/06/972308206.db2.gz VXECGYFBPJIYSA-CYBMUJFWSA-N -1 0 341.382 3.682 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)NC(C2CCCC2)C2CCCC2)CC1 ZINC001341396606 957989594 /nfs/dbraw/zinc/98/95/94/957989594.db2.gz MGBPPGHZDOLSIA-UHFFFAOYSA-N -1 0 336.476 3.632 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCCC1 ZINC000390946346 972309659 /nfs/dbraw/zinc/30/96/59/972309659.db2.gz OIXZJKLRCVGHOO-UHFFFAOYSA-N -1 0 340.763 3.612 20 0 EHADRM O=C([O-])[C@]1(C(F)(F)F)CCN(Cc2cc(Cl)ccc2Cl)C1 ZINC000087761622 958032161 /nfs/dbraw/zinc/03/21/61/958032161.db2.gz LVWFSMHVZLKSKZ-LBPRGKRZSA-N -1 0 342.144 3.832 20 0 EHADRM Cc1cc(NC(=O)N[C@H](CF)c2ccc(F)cc2)ccc1C(=O)[O-] ZINC001594320429 958123397 /nfs/dbraw/zinc/12/33/97/958123397.db2.gz NIOZCBRQIFDNFD-OAHLLOKOSA-N -1 0 334.322 3.665 20 0 EHADRM Cc1cc(NC(=O)Nc2cccc(CC(=O)[O-])c2)cnc1C(F)F ZINC001594323151 958137868 /nfs/dbraw/zinc/13/78/68/958137868.db2.gz CVGSHMUFOZLHQD-UHFFFAOYSA-N -1 0 335.310 3.599 20 0 EHADRM C[C@@H](NC(=O)N1CCCC[C@H]1CCC(=O)[O-])C1CCC(F)(F)CC1 ZINC001353125492 958140032 /nfs/dbraw/zinc/14/00/32/958140032.db2.gz FTNCGMQYZZGGIH-OCCSQVGLSA-N -1 0 346.418 3.629 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC000391188970 972322563 /nfs/dbraw/zinc/32/25/63/972322563.db2.gz QALHDUJCONVZPP-UHFFFAOYSA-N -1 0 329.783 3.940 20 0 EHADRM Cc1cc(NC(=O)Nc2cc(F)ccc2N(C)C)ccc1C(=O)[O-] ZINC001594323874 958146115 /nfs/dbraw/zinc/14/61/15/958146115.db2.gz XJMIKSYNJNLKQK-UHFFFAOYSA-N -1 0 331.347 3.542 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc1C(C)C ZINC001594327407 958186324 /nfs/dbraw/zinc/18/63/24/958186324.db2.gz XHRUMSPTRIIDFB-PBHICJAKSA-N -1 0 335.444 3.501 20 0 EHADRM Cc1cc2nc(NCc3ccc(C(=O)[O-])cc3)c3ccccc3n2n1 ZINC001594332303 958238627 /nfs/dbraw/zinc/23/86/27/958238627.db2.gz QFTCRVIMKOLCGT-UHFFFAOYSA-N -1 0 332.363 3.501 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3CCC[C@H](CC(=O)[O-])C3)s2)o1 ZINC001594333796 958248423 /nfs/dbraw/zinc/24/84/23/958248423.db2.gz CGMPPNSBXAFHGE-GFCCVEGCSA-N -1 0 333.409 3.643 20 0 EHADRM Cc1ccc(-c2ccc(COC(=O)c3cccc(C(=O)[O-])c3)cc2)nn1 ZINC001594334405 958253072 /nfs/dbraw/zinc/25/30/72/958253072.db2.gz UZUVKHISWMYBTQ-UHFFFAOYSA-N -1 0 348.358 3.507 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC001594349358 958332847 /nfs/dbraw/zinc/33/28/47/958332847.db2.gz AXYRLYXKMZHBNA-ARFHVFGLSA-N -1 0 347.455 3.597 20 0 EHADRM Cc1ccc(C)c(C2CCN(C(=O)NC[C@H](C(=O)[O-])C(C)C)CC2)c1 ZINC001594352030 958371822 /nfs/dbraw/zinc/37/18/22/958371822.db2.gz SBNNITQMZXNTJL-SFHVURJKSA-N -1 0 346.471 3.549 20 0 EHADRM Cc1ccc(N(C)C(=O)c2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC001594367497 958502444 /nfs/dbraw/zinc/50/24/44/958502444.db2.gz SLXQRPSGZQLOBT-UHFFFAOYSA-N -1 0 348.196 3.732 20 0 EHADRM COc1ccc2c(c1)c(-c1nc([C@H](C)C(=O)[O-])no1)c(C)n2C1CC1 ZINC001594117468 958562118 /nfs/dbraw/zinc/56/21/18/958562118.db2.gz GXMUDYFKKBLMNL-VIFPVBQESA-N -1 0 341.367 3.531 20 0 EHADRM Cc1cc(Cl)c(NC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])cc1Cl ZINC000128402542 958660823 /nfs/dbraw/zinc/66/08/23/958660823.db2.gz YSURUDFRZAKTTF-KCJUWKMLSA-N -1 0 331.199 3.677 20 0 EHADRM Cc1cccc(C(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)n1 ZINC001594388234 958693605 /nfs/dbraw/zinc/69/36/05/958693605.db2.gz SJMOQJRILKGNGP-VIFPVBQESA-N -1 0 330.409 3.527 20 0 EHADRM Cc1ccc2c(c1)CN(C(=O)Cc1ccccc1C(=O)[O-])C(C)(C)C2 ZINC001594389652 958699743 /nfs/dbraw/zinc/69/97/43/958699743.db2.gz ISLPFJCZNBJHOO-UHFFFAOYSA-N -1 0 337.419 3.599 20 0 EHADRM Cc1cccc([C@@H](C)CNC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC001594390444 958707843 /nfs/dbraw/zinc/70/78/43/958707843.db2.gz QXBXTFLHHNFCHL-DOTOQJQBSA-N -1 0 332.444 3.527 20 0 EHADRM Cc1cccc([C@@H](NC(=O)[C@@H](C)CSc2ccccc2)C(=O)[O-])c1 ZINC001594390615 958711096 /nfs/dbraw/zinc/71/10/96/958711096.db2.gz YIGVWPZPDIWNEU-WMLDXEAASA-N -1 0 343.448 3.665 20 0 EHADRM CCc1ccccc1C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000132330919 958781941 /nfs/dbraw/zinc/78/19/41/958781941.db2.gz RHGOEIUAIBJSEN-UHFFFAOYSA-N -1 0 348.196 3.962 20 0 EHADRM Cc1cccc([C@@H](NC(=O)CSc2ccc(C)cc2C)C(=O)[O-])c1 ZINC001594398348 958800012 /nfs/dbraw/zinc/80/00/12/958800012.db2.gz VCGGZNXNKVWLIG-GOSISDBHSA-N -1 0 343.448 3.646 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2cnc(CC(C)(C)C)s2)C(=O)[O-])c1 ZINC001594399612 958834452 /nfs/dbraw/zinc/83/44/52/958834452.db2.gz QWLOHFVBGDFAHM-HNNXBMFYSA-N -1 0 346.452 3.596 20 0 EHADRM CCc1cc(OCC(=O)Nc2ccccc2C(=O)[O-])ccc1Cl ZINC000135891728 958893241 /nfs/dbraw/zinc/89/32/41/958893241.db2.gz LJQDXXCWYBXTBA-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM Cc1cc(C(=O)Nc2ccsc2C(=O)[O-])ccc1Br ZINC000137440416 958927468 /nfs/dbraw/zinc/92/74/68/958927468.db2.gz NWBNGMVMKCUFTE-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM CCCCCCO[C@H](C)C(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC000138304853 958950657 /nfs/dbraw/zinc/95/06/57/958950657.db2.gz GMDJLEKPXADIEA-LLVKDONJSA-N -1 0 328.792 3.929 20 0 EHADRM Cc1ccccc1[C@@H](CC(C)C)NC(=O)NCC1(C(=O)[O-])CCC1 ZINC001594415325 958990802 /nfs/dbraw/zinc/99/08/02/958990802.db2.gz HDTOOOMWZKJOHN-MRXNPFEDSA-N -1 0 332.444 3.636 20 0 EHADRM Cc1ccccc1C1(CNC(=O)N(C)C[C@@H](C)C(=O)[O-])CCCCC1 ZINC001594416746 959010982 /nfs/dbraw/zinc/01/09/82/959010982.db2.gz KGVUAVRJSWJSNB-MRXNPFEDSA-N -1 0 346.471 3.559 20 0 EHADRM O=C([O-])c1cccc(F)c1NC(=O)/C=C/c1ccc(Cl)s1 ZINC000150234641 959037904 /nfs/dbraw/zinc/03/79/04/959037904.db2.gz NAGPNYQCZYFONH-FNORWQNLSA-N -1 0 325.748 3.891 20 0 EHADRM Cc1ccc(F)c(C(=O)N2CCCc3c(C(=O)[O-])cccc32)c1F ZINC000392016995 972399740 /nfs/dbraw/zinc/39/97/40/972399740.db2.gz WEDLYKJHEWZLRF-UHFFFAOYSA-N -1 0 331.318 3.564 20 0 EHADRM COc1cc(C)ccc1OCCOc1ccc(/C=C\C(=O)[O-])cc1 ZINC000392032373 972402774 /nfs/dbraw/zinc/40/27/74/972402774.db2.gz DKLDBBUXJQNUOW-POHAHGRESA-N -1 0 328.364 3.559 20 0 EHADRM CC(C)COc1cccc(NC(=O)c2coc(/C=C\C(=O)[O-])c2)c1 ZINC001573524646 959139224 /nfs/dbraw/zinc/13/92/24/959139224.db2.gz JJTPAYCELBATBJ-SREVYHEPSA-N -1 0 329.352 3.665 20 0 EHADRM Cc1ccc(C(=O)NCCCCCCC(=O)[O-])c(Br)c1 ZINC000160964386 959161741 /nfs/dbraw/zinc/16/17/41/959161741.db2.gz KFROUUCTGOEOKK-UHFFFAOYSA-N -1 0 342.233 3.522 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCc2ccccc2C(F)(F)F)cc1 ZINC000392076535 972406185 /nfs/dbraw/zinc/40/61/85/972406185.db2.gz DGAZMKXEMDBYSB-UHFFFAOYSA-N -1 0 338.285 3.725 20 0 EHADRM CCc1noc(C)c1C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000392072766 972406945 /nfs/dbraw/zinc/40/69/45/972406945.db2.gz SLLXAWXKQBJNFA-UHFFFAOYSA-N -1 0 342.273 3.515 20 0 EHADRM CC(C)Cc1ccc(CC(=O)NC2(C(=O)[O-])CCCCCC2)cc1 ZINC001573539221 959183232 /nfs/dbraw/zinc/18/32/32/959183232.db2.gz CINNTLDKJPZORX-UHFFFAOYSA-N -1 0 331.456 3.721 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)NCC1(c2ccc(Cl)cc2Cl)CCCC1 ZINC001588573119 959195982 /nfs/dbraw/zinc/19/59/82/959195982.db2.gz XIPNPAPWOCSIGA-SNVBAGLBSA-N -1 0 344.238 3.642 20 0 EHADRM CSc1nc2ccc(NC(=O)C3(CC(=O)[O-])CCC3)cc2s1 ZINC001594197047 959202161 /nfs/dbraw/zinc/20/21/61/959202161.db2.gz HAWNYRYRCNTHIU-UHFFFAOYSA-N -1 0 336.438 3.602 20 0 EHADRM Cc1coc(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)c1C ZINC001594435322 959221292 /nfs/dbraw/zinc/22/12/92/959221292.db2.gz AIODZOKGZYUHKS-UHFFFAOYSA-N -1 0 327.380 3.614 20 0 EHADRM Cc1csc(-c2ccc(NC(=O)N([C@@H](C)C(=O)[O-])C3CC3)cc2)n1 ZINC001594435835 959229811 /nfs/dbraw/zinc/22/98/11/959229811.db2.gz NYLHXBGTVXTPDW-NSHDSACASA-N -1 0 345.424 3.588 20 0 EHADRM C[C@@H](NC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)C(=O)[O-] ZINC001594201781 959253328 /nfs/dbraw/zinc/25/33/28/959253328.db2.gz DYOMTURNQJAJJY-SNVBAGLBSA-N -1 0 334.759 3.727 20 0 EHADRM Cc1csc(Nc2cccc(NC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)c2)n1 ZINC001594440928 959263568 /nfs/dbraw/zinc/26/35/68/959263568.db2.gz YUCLJHHZEAQDQE-NWDGAFQWSA-N -1 0 345.424 3.635 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)O[C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC001588583020 959274278 /nfs/dbraw/zinc/27/42/78/959274278.db2.gz PPJINOJCPMMECJ-KGLIPLIRSA-N -1 0 328.364 3.591 20 0 EHADRM Cc1nc(-c2ccccc2)oc1CN[C@](C)(C(=O)[O-])c1ccccc1 ZINC001594443517 959306781 /nfs/dbraw/zinc/30/67/81/959306781.db2.gz DPLOUEHTULOTTR-FQEVSTJZSA-N -1 0 336.391 3.740 20 0 EHADRM C[C@H](CC(=O)N1[C@H](C)CCC[C@@H]1C(=O)[O-])c1c[nH]c2ccccc21 ZINC001573575856 959328284 /nfs/dbraw/zinc/32/82/84/959328284.db2.gz GBKYCBMTTYKOKW-PBFPGSCMSA-N -1 0 328.412 3.516 20 0 EHADRM Cc1nc(C2CCCCC2)sc1C(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC001594452048 959385222 /nfs/dbraw/zinc/38/52/22/959385222.db2.gz UWWUUOLASYOFAL-ZWNOBZJWSA-N -1 0 336.457 3.577 20 0 EHADRM CC(C)COc1cccc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000177470857 959421194 /nfs/dbraw/zinc/42/11/94/959421194.db2.gz RVRMSAUJRLYXQD-KRWDZBQOSA-N -1 0 339.391 3.550 20 0 EHADRM C[C@@H](NC(=O)c1cc(C(=O)[O-])co1)c1ccc(Cl)cc1Cl ZINC000183326480 959445922 /nfs/dbraw/zinc/44/59/22/959445922.db2.gz QSMRCOSHJMFSLA-SSDOTTSWSA-N -1 0 328.151 3.776 20 0 EHADRM O=C([O-])c1coc(C(=O)N(Cc2ccsc2)c2ccccc2)c1 ZINC000183809796 959451295 /nfs/dbraw/zinc/45/12/95/959451295.db2.gz GUMBGTKISIZMIV-UHFFFAOYSA-N -1 0 327.361 3.886 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000183966206 959460065 /nfs/dbraw/zinc/46/00/65/959460065.db2.gz XEUFHGOPGSMTQF-WDEREUQCSA-N -1 0 329.849 3.641 20 0 EHADRM Cc1nc2c(s1)[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c(C)c1)CCC2 ZINC001594463602 959482814 /nfs/dbraw/zinc/48/28/14/959482814.db2.gz HJXMRIUNVMHKGD-AWEZNQCLSA-N -1 0 345.424 3.657 20 0 EHADRM C[C@H](CC1CCCCC1)NC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001594233386 959490519 /nfs/dbraw/zinc/49/05/19/959490519.db2.gz PGCJKRHTWSSLKO-FOIQADDNSA-N -1 0 346.471 3.687 20 0 EHADRM C[C@H](NC(=O)C1(C(=O)[O-])CCCCC1)c1ccc(F)cc1Cl ZINC001594234693 959501555 /nfs/dbraw/zinc/50/15/55/959501555.db2.gz XKBMFEHSIZPHTJ-JTQLQIEISA-N -1 0 327.783 3.691 20 0 EHADRM CC(C)(C(=O)NCc1ccccc1C(=O)[O-])c1ccccc1Cl ZINC001588610247 959505193 /nfs/dbraw/zinc/50/51/93/959505193.db2.gz ZMETYUYOAPWULA-UHFFFAOYSA-N -1 0 331.799 3.632 20 0 EHADRM C[C@H](NC(=O)Nc1cccc(CCC(=O)[O-])c1)C1CCC(F)CC1 ZINC001573620685 959505199 /nfs/dbraw/zinc/50/51/99/959505199.db2.gz ICDMGQAMFUSVIF-GRTSSRMGSA-N -1 0 336.407 3.742 20 0 EHADRM C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001573622053 959516485 /nfs/dbraw/zinc/51/64/85/959516485.db2.gz CPRHHAZMGRXUGD-YDVLKRNPSA-N -1 0 349.858 3.695 20 0 EHADRM C[C@H](CNC(=O)c1cccc(Oc2ccc(Cl)cc2)c1)C(=O)[O-] ZINC000190962331 959531889 /nfs/dbraw/zinc/53/18/89/959531889.db2.gz VCMHAEOTVMIXJY-LLVKDONJSA-N -1 0 333.771 3.583 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)C(C2CC2)C2CC2)c1 ZINC000190982039 959532010 /nfs/dbraw/zinc/53/20/10/959532010.db2.gz OWNRHQAYLFYYGU-UHFFFAOYSA-N -1 0 333.453 3.769 20 0 EHADRM C[C@H](Oc1ccc2ccccc2c1)C(=O)N(CC(=O)[O-])CC(C)(C)C ZINC001594244220 959552887 /nfs/dbraw/zinc/55/28/87/959552887.db2.gz GRTWRCQUOULUAW-AWEZNQCLSA-N -1 0 343.423 3.566 20 0 EHADRM Cc1ccc(C(=O)Nc2cc(C(=O)[O-])cs2)c(Br)c1 ZINC000191366101 959555457 /nfs/dbraw/zinc/55/54/57/959555457.db2.gz QFDPXPMDYHXTLF-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000191399076 959558172 /nfs/dbraw/zinc/55/81/72/959558172.db2.gz YNUJRYXEXDQSDC-HUUCEWRRSA-N -1 0 341.407 3.664 20 0 EHADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1cccc(F)c1Cl ZINC000191529189 959577497 /nfs/dbraw/zinc/57/74/97/959577497.db2.gz LRAYUYBMGLIQQD-CYBMUJFWSA-N -1 0 349.789 3.685 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)sc1C ZINC000191524409 959577537 /nfs/dbraw/zinc/57/75/37/959577537.db2.gz GYTRFSGOZOAIPI-HNNXBMFYSA-N -1 0 331.437 3.571 20 0 EHADRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1Cl ZINC000191531621 959578961 /nfs/dbraw/zinc/57/89/61/959578961.db2.gz JOEXGAGMIWXFCT-AWEZNQCLSA-N -1 0 331.799 3.546 20 0 EHADRM CCc1ccsc1C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000191547966 959581753 /nfs/dbraw/zinc/58/17/53/959581753.db2.gz VNBZLFQDFBDBMK-OAHLLOKOSA-N -1 0 331.437 3.516 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)[C@H](C)c1ccccc1)C(=O)[O-] ZINC000192852340 959593474 /nfs/dbraw/zinc/59/34/74/959593474.db2.gz GZMBUTLGVSOGPA-HZPDHXFCSA-N -1 0 325.408 3.540 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)cc1 ZINC000195192817 959623266 /nfs/dbraw/zinc/62/32/66/959623266.db2.gz GMPRFXJYOQDXBH-UHFFFAOYSA-N -1 0 347.374 3.700 20 0 EHADRM C[C@H](c1ccc(C(=O)Nc2ccnc(C(=O)[O-])c2)cc1)C(F)(F)F ZINC001573644301 959632419 /nfs/dbraw/zinc/63/24/19/959632419.db2.gz XRSMKNGMAIATBW-SECBINFHSA-N -1 0 338.285 3.698 20 0 EHADRM CC1(C)C[C@H](N(Cc2ccccc2)C(=O)CCCC(=O)[O-])C(C)(C)O1 ZINC001573664956 959687596 /nfs/dbraw/zinc/68/75/96/959687596.db2.gz PDNPDAHUCPPXBO-INIZCTEOSA-N -1 0 347.455 3.616 20 0 EHADRM Cc1c2occ(CC(=O)N3C[C@H](C(=O)[O-])CC[C@H]3C)c2ccc1Cl ZINC001594262430 959708142 /nfs/dbraw/zinc/70/81/42/959708142.db2.gz FQLCDFJZWHJVPL-ZYHUDNBSSA-N -1 0 349.814 3.649 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1ccc(Sc2ccncc2)cc1 ZINC001573667907 959712057 /nfs/dbraw/zinc/71/20/57/959712057.db2.gz NGAAETALMDMZSX-SFHVURJKSA-N -1 0 342.420 3.672 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cccc3c4c([nH]c32)CCCC4)c1 ZINC000212541558 959713378 /nfs/dbraw/zinc/71/33/78/959713378.db2.gz NRSDVQGVASXXEX-UHFFFAOYSA-N -1 0 334.375 3.997 20 0 EHADRM Cc1c(Cl)ccc2c1CN(C(=O)c1ccc(C(=O)[O-])cc1)CC2 ZINC001594263140 959719306 /nfs/dbraw/zinc/71/93/06/959719306.db2.gz XNGFHFIFWOKNFR-UHFFFAOYSA-N -1 0 329.783 3.545 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)C1(c2ccc(F)cc2)CCC1)C(=O)[O-] ZINC001588644725 959722817 /nfs/dbraw/zinc/72/28/17/959722817.db2.gz ATKIXCVWCZOLBC-OAHLLOKOSA-N -1 0 335.419 3.643 20 0 EHADRM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NC1(C(=O)[O-])CCCC1 ZINC001594267164 959747603 /nfs/dbraw/zinc/74/76/03/959747603.db2.gz QWVQXNXJHCOYFD-AWEZNQCLSA-N -1 0 332.444 3.579 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)CCSc1ccccc1F)C(=O)[O-] ZINC001588651126 959768040 /nfs/dbraw/zinc/76/80/40/959768040.db2.gz WSGCLEWPMZYPCO-ZDUSSCGKSA-N -1 0 341.448 3.704 20 0 EHADRM Cc1cc(Br)cc(C)c1NC(=O)c1cc(C(=O)[O-])co1 ZINC000228135797 959986662 /nfs/dbraw/zinc/98/66/62/959986662.db2.gz CWBKJVYUBYGXRF-UHFFFAOYSA-N -1 0 338.157 3.609 20 0 EHADRM O=C([O-])[C@@H]1CCCCCN1Cc1c(F)ccc(Br)c1F ZINC000230318715 960142762 /nfs/dbraw/zinc/14/27/62/960142762.db2.gz QZJOFWSFYXDKEJ-LBPRGKRZSA-N -1 0 348.187 3.557 20 0 EHADRM Cc1cc(C(=O)[O-])nc(Oc2cc(Br)ccc2Cl)n1 ZINC000231956945 960235255 /nfs/dbraw/zinc/23/52/55/960235255.db2.gz VBDCEUUGZWCQCQ-UHFFFAOYSA-N -1 0 343.564 3.691 20 0 EHADRM COc1cccc(Cl)c1CNc1ncc(C(=O)[O-])cc1Cl ZINC000234960416 960379051 /nfs/dbraw/zinc/37/90/51/960379051.db2.gz ZZHCYVDJYFYFCI-UHFFFAOYSA-N -1 0 327.167 3.707 20 0 EHADRM C[C@@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)C[C@H]1C(=O)[O-] ZINC001573725670 960401253 /nfs/dbraw/zinc/40/12/53/960401253.db2.gz GGXXOZSSVLVUIN-CZUORRHYSA-N -1 0 349.858 3.721 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc(C(C)(C)C)c(F)c2)C[C@H]1C(=O)[O-] ZINC001573735179 960429975 /nfs/dbraw/zinc/42/99/75/960429975.db2.gz BYXXGOQVDOMWSN-DGCLKSJQSA-N -1 0 336.407 3.698 20 0 EHADRM C[C@H]1CSc2ccc(Cl)cc2N(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C1 ZINC001573747690 960510816 /nfs/dbraw/zinc/51/08/16/960510816.db2.gz RHJQVUFUOAXXCB-ADEWGFFLSA-N -1 0 339.844 3.526 20 0 EHADRM CCc1ccc(NC(=O)COc2cc(C)ccc2Cl)c(C(=O)[O-])c1 ZINC000392674723 972509164 /nfs/dbraw/zinc/50/91/64/972509164.db2.gz ORYDMGVGPGQQSG-UHFFFAOYSA-N -1 0 347.798 3.927 20 0 EHADRM Cc1cc(NC(=O)c2cc(Cl)ncc2Cl)ccc1C(=O)[O-] ZINC000235867796 960521445 /nfs/dbraw/zinc/52/14/45/960521445.db2.gz NLWUJCKUMGKOEY-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM Cc1csc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1Cl ZINC000235957236 960535434 /nfs/dbraw/zinc/53/54/34/960535434.db2.gz BAZXTXVOUDGABD-JTQLQIEISA-N -1 0 329.849 3.673 20 0 EHADRM CSc1ccc(-c2csc(NC(=O)[C@H]3CC[C@H]3C(=O)[O-])n2)cc1 ZINC001574256948 960535449 /nfs/dbraw/zinc/53/54/49/960535449.db2.gz GBWRVEDJKWMLRY-NWDGAFQWSA-N -1 0 348.449 3.581 20 0 EHADRM C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001573756920 960561860 /nfs/dbraw/zinc/56/18/60/960561860.db2.gz DNZRCCBXRPOPDN-KPXOXKRLSA-N -1 0 342.222 3.550 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)Cc2ccc3ccccc3c2)cc1F ZINC000392714393 972513619 /nfs/dbraw/zinc/51/36/19/972513619.db2.gz MSDKZYNWGJKEJM-UHFFFAOYSA-N -1 0 341.313 3.997 20 0 EHADRM Cc1cc(C)c(OCC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)c(C)c1 ZINC000392721674 972514585 /nfs/dbraw/zinc/51/45/85/972514585.db2.gz USBJWQYXKLGDCX-UHFFFAOYSA-N -1 0 349.333 3.606 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cccc(Cl)c2Br)C1 ZINC000236452786 960626464 /nfs/dbraw/zinc/62/64/64/960626464.db2.gz GVLQUHRYGQQNHZ-JGVFFNPUSA-N -1 0 346.608 3.542 20 0 EHADRM CCCCCCOc1ccc(C(=O)N[C@H]2CCC[C@@H]2C(=O)[O-])cc1 ZINC000236663534 960727419 /nfs/dbraw/zinc/72/74/19/960727419.db2.gz CMGOUBORIYKZDN-IRXDYDNUSA-N -1 0 333.428 3.629 20 0 EHADRM Cc1cc(C(=O)N2CCCC[C@@H]2CC(C)C)cc(C)c1OCC(=O)[O-] ZINC000236664640 960727761 /nfs/dbraw/zinc/72/77/61/960727761.db2.gz NQLZUVUTXGPGBQ-QGZVFWFLSA-N -1 0 347.455 3.808 20 0 EHADRM CC(C)Oc1ccc([C@@H](C)NC(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000236737182 960746388 /nfs/dbraw/zinc/74/63/88/960746388.db2.gz RNXJBABMWSGTDB-LLVKDONJSA-N -1 0 333.409 3.725 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000236754357 960750843 /nfs/dbraw/zinc/75/08/43/960750843.db2.gz QLGUEJPKQSBVLX-UHFFFAOYSA-N -1 0 333.359 3.659 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC000236827395 960768110 /nfs/dbraw/zinc/76/81/10/960768110.db2.gz PTUPNTOPMGZFNJ-CYBMUJFWSA-N -1 0 337.485 3.836 20 0 EHADRM CCC[C@](C)(NC(=O)c1ccc(SC(F)(F)F)cc1)C(=O)[O-] ZINC000236835007 960770549 /nfs/dbraw/zinc/77/05/49/960770549.db2.gz JWCAVSXSHAIQCC-ZDUSSCGKSA-N -1 0 335.347 3.672 20 0 EHADRM CCC(CC)(CNC(=O)CCc1ccc(-c2ccccc2)o1)C(=O)[O-] ZINC000236837469 960770678 /nfs/dbraw/zinc/77/06/78/960770678.db2.gz XZCMAUIPTCDIQL-UHFFFAOYSA-N -1 0 343.423 3.886 20 0 EHADRM CCC[C@@H](NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000236842987 960771613 /nfs/dbraw/zinc/77/16/13/960771613.db2.gz DSDUVBROVOPGFH-ZWNOBZJWSA-N -1 0 331.334 3.569 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000236910753 960797259 /nfs/dbraw/zinc/79/72/59/960797259.db2.gz ABAFRFQJBVRMMD-MORSLUCNSA-N -1 0 325.408 3.655 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NC[C@H](C)c2ccc(F)cc2F)c1 ZINC001574318217 960806742 /nfs/dbraw/zinc/80/67/42/960806742.db2.gz SJTQOYDEZVWRGC-NSHDSACASA-N -1 0 333.334 3.505 20 0 EHADRM CCOc1ccc(NC(=O)c2ccc(C(=O)[O-])s2)cc1Cl ZINC000237017304 960837264 /nfs/dbraw/zinc/83/72/64/960837264.db2.gz VIGQHXNJOHPGON-UHFFFAOYSA-N -1 0 325.773 3.751 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000237057279 960857294 /nfs/dbraw/zinc/85/72/94/960857294.db2.gz QZIIRYRNYZSSIZ-SECBINFHSA-N -1 0 335.347 3.624 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001574331155 960889935 /nfs/dbraw/zinc/88/99/35/960889935.db2.gz YRBUURUSOOHKMX-HZPDHXFCSA-N -1 0 329.783 3.691 20 0 EHADRM C[C@H](NC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1)C(=O)[O-] ZINC000237479492 960941480 /nfs/dbraw/zinc/94/14/80/960941480.db2.gz IHGULOKOAUBGSH-ZETCQYMHSA-N -1 0 344.219 3.925 20 0 EHADRM Cc1cc(NCc2ncc(Br)cc2F)ccc1C(=O)[O-] ZINC001574343268 960948981 /nfs/dbraw/zinc/94/89/81/960948981.db2.gz MHCJMTPXZJMPFH-UHFFFAOYSA-N -1 0 339.164 3.602 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCCCCC(=O)[O-] ZINC000237538339 960955757 /nfs/dbraw/zinc/95/57/57/960955757.db2.gz JSTNBNHDOXOWHX-LBPRGKRZSA-N -1 0 343.876 3.972 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N[C@]3(C)CCCC[C@@H]3C(=O)[O-])c(Cl)c2c1 ZINC001321134473 960995206 /nfs/dbraw/zinc/99/52/06/960995206.db2.gz BUTJWRVIPMWVKV-KZULUSFZSA-N -1 0 348.830 3.893 20 0 EHADRM CC[C@H]1CCCC[C@@H]1CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001573829534 961000824 /nfs/dbraw/zinc/00/08/24/961000824.db2.gz ABIHVHKJNGLKIV-HRCADAONSA-N -1 0 326.481 3.639 20 0 EHADRM C[C@H]1CCc2sc(C(=O)Nc3cccc(OCC(=O)[O-])c3)cc2C1 ZINC000237718972 961006740 /nfs/dbraw/zinc/00/67/40/961006740.db2.gz FTCFWDJXZPUNGF-NSHDSACASA-N -1 0 345.420 3.589 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)Nc1ncccc1C(=O)[O-] ZINC001574357054 961007353 /nfs/dbraw/zinc/00/73/53/961007353.db2.gz LYLLOKKMAALZKE-CYBMUJFWSA-N -1 0 342.395 3.618 20 0 EHADRM CC[C@H]1CCc2c(sc(NC(=O)CC[C@H](C)OC)c2C(=O)[O-])C1 ZINC001573830386 961014911 /nfs/dbraw/zinc/01/49/11/961014911.db2.gz QLPPCQLVQKEAAE-QWRGUYRKSA-N -1 0 339.457 3.715 20 0 EHADRM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001574361579 961030389 /nfs/dbraw/zinc/03/03/89/961030389.db2.gz OISDJOGXIPSQRM-XOYOTBSWSA-N -1 0 344.455 3.731 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000237943070 961049021 /nfs/dbraw/zinc/04/90/21/961049021.db2.gz WSTMPYFUOZFJPK-MOPGFXCFSA-N -1 0 337.419 3.684 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(CCc2ccccc2)c2ccccc2)o1 ZINC000237967649 961058728 /nfs/dbraw/zinc/05/87/28/961058728.db2.gz ZHMSPNCWEMFHOF-UHFFFAOYSA-N -1 0 335.359 3.867 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000238003048 961071655 /nfs/dbraw/zinc/07/16/55/961071655.db2.gz QBRBIPWFWNLPEG-LLVKDONJSA-N -1 0 344.238 3.639 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCCCc2ccc(Cl)cc2Cl)o1 ZINC000238038268 961083826 /nfs/dbraw/zinc/08/38/26/961083826.db2.gz ABNGVMDMFSUBGQ-UHFFFAOYSA-N -1 0 342.178 3.647 20 0 EHADRM CCCCCC[C@H](O)CCC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001573841593 961085839 /nfs/dbraw/zinc/08/58/39/961085839.db2.gz VZCVBTMUFLBRMB-WBAXXEDZSA-N -1 0 347.455 3.527 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Nc2cccc3c2N=S=N3)cc1 ZINC000238074022 961090913 /nfs/dbraw/zinc/09/09/13/961090913.db2.gz LXWPYWONVPYIAZ-UHFFFAOYSA-N -1 0 327.365 3.683 20 0 EHADRM O=C([O-])CCCCCCNC(=O)COc1ccc(Cl)cc1Cl ZINC000238116265 961105447 /nfs/dbraw/zinc/10/54/47/961105447.db2.gz LJBKILMHQSSUKM-UHFFFAOYSA-N -1 0 348.226 3.524 20 0 EHADRM CCCCN(CC)c1ccc(C(=O)Nc2cncc(C(=O)[O-])c2)cc1 ZINC001573848413 961109022 /nfs/dbraw/zinc/10/90/22/961109022.db2.gz DKYXHNWQYNPFKG-UHFFFAOYSA-N -1 0 341.411 3.659 20 0 EHADRM CCCN(C(=O)Nc1ccnc(C(=O)[O-])c1)[C@H]1CCc2ccccc21 ZINC001573848586 961110800 /nfs/dbraw/zinc/11/08/00/961110800.db2.gz OYONRRBOJLMORT-KRWDZBQOSA-N -1 0 339.395 3.711 20 0 EHADRM CC(C)(C)OCc1ccc(NC(=O)NC2(CC(=O)[O-])CCC2)cc1 ZINC001588734841 961129528 /nfs/dbraw/zinc/12/95/28/961129528.db2.gz ORPTVDGXSILOGE-UHFFFAOYSA-N -1 0 334.416 3.521 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccccc2OC2CCCC2)c1 ZINC000238211912 961163491 /nfs/dbraw/zinc/16/34/91/961163491.db2.gz TXZUWFLUSFATNS-UHFFFAOYSA-N -1 0 325.364 3.959 20 0 EHADRM CC[C@H](C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-])c1ccccc1 ZINC000248763375 961198169 /nfs/dbraw/zinc/19/81/69/961198169.db2.gz RAAUMIASGZUPIC-WBAXXEDZSA-N -1 0 325.408 3.758 20 0 EHADRM Cc1cnc(Cl)c(NC(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC001574410596 961275417 /nfs/dbraw/zinc/27/54/17/961275417.db2.gz GXUUOIJZJZWIPX-UHFFFAOYSA-N -1 0 333.775 3.705 20 0 EHADRM Cc1sc(NC(=O)CCCC(=O)[O-])nc1-c1cccc(Cl)c1 ZINC001329578342 961278450 /nfs/dbraw/zinc/27/84/50/961278450.db2.gz ARVWGXLXKMZYQM-UHFFFAOYSA-N -1 0 338.816 3.965 20 0 EHADRM CCN(CCOc1ccccc1C)C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001573881592 961284053 /nfs/dbraw/zinc/28/40/53/961284053.db2.gz UPWSIDWMFDGLBN-UHFFFAOYSA-N -1 0 341.407 3.543 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001588785812 961342883 /nfs/dbraw/zinc/34/28/83/961342883.db2.gz JVHZHIGKUWJYMU-UHFFFAOYSA-N -1 0 332.787 3.641 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N(C)C(C)(C)CC(=O)[O-])o2)cc1 ZINC001331050984 961363955 /nfs/dbraw/zinc/36/39/55/961363955.db2.gz YUTRNXQXVQCXPT-UHFFFAOYSA-N -1 0 329.396 3.834 20 0 EHADRM COc1cc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)ccc1C(=O)[O-] ZINC000261788585 961392725 /nfs/dbraw/zinc/39/27/25/961392725.db2.gz YSAMNSPPBVWSBN-NXEZZACHSA-N -1 0 345.317 3.701 20 0 EHADRM CC[C@@H](NC(=O)CCc1ccccc1C(=O)[O-])c1cc(F)ccc1F ZINC000262094672 961452270 /nfs/dbraw/zinc/45/22/70/961452270.db2.gz GUULLZQMCCLKGD-QGZVFWFLSA-N -1 0 347.361 3.863 20 0 EHADRM Cc1cc(C)c(OCC(=O)Nc2cccc(CCC(=O)[O-])c2)c(C)c1 ZINC000262135919 961489840 /nfs/dbraw/zinc/48/98/40/961489840.db2.gz DMLWXWMUPRDLCW-UHFFFAOYSA-N -1 0 341.407 3.647 20 0 EHADRM Cc1c(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)cnn1C1CCCC1 ZINC001332164463 961498398 /nfs/dbraw/zinc/49/83/98/961498398.db2.gz BICOYTHZSOIYPN-UHFFFAOYSA-N -1 0 327.384 3.566 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)O[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC001588812190 961523549 /nfs/dbraw/zinc/52/35/49/961523549.db2.gz CKEPVSDNWLZPRZ-JOYOIKCWSA-N -1 0 334.290 3.546 20 0 EHADRM CCC[C@@H](NC(=O)Cc1ccccc1C(=O)[O-])c1ccc(F)cc1F ZINC000262195349 961542011 /nfs/dbraw/zinc/54/20/11/961542011.db2.gz RLGUWCFOBFNGRI-QGZVFWFLSA-N -1 0 347.361 3.863 20 0 EHADRM Cc1cc(C)cc([C@@H](C)NC(=O)CCc2ccccc2C(=O)[O-])c1 ZINC000262206124 961552469 /nfs/dbraw/zinc/55/24/69/961552469.db2.gz PDNKUXCNLGRIDN-OAHLLOKOSA-N -1 0 325.408 3.812 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000262233187 961576370 /nfs/dbraw/zinc/57/63/70/961576370.db2.gz YUGVQWMHZZNDQS-KFWWJZLASA-N -1 0 347.411 3.631 20 0 EHADRM CCCOc1cccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000262250578 961593700 /nfs/dbraw/zinc/59/37/00/961593700.db2.gz CLEPMVLRBUDLRL-QGZVFWFLSA-N -1 0 345.370 3.560 20 0 EHADRM CC(C)[C@H](CNC(=O)NC[C@H]1CCCC[C@@H]1c1ccccc1)C(=O)[O-] ZINC001588824974 961661945 /nfs/dbraw/zinc/66/19/45/961661945.db2.gz IYIQIQXSEGRYDN-KURKYZTESA-N -1 0 346.471 3.616 20 0 EHADRM Cc1oc(CNC(=O)C[C@H](C)c2c[nH]c3ccccc32)cc1C(=O)[O-] ZINC001333317996 961676365 /nfs/dbraw/zinc/67/63/65/961676365.db2.gz NKHAETBKLLXZGC-NSHDSACASA-N -1 0 340.379 3.578 20 0 EHADRM CC(C)[C@@H](CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001588829647 961688410 /nfs/dbraw/zinc/68/84/10/961688410.db2.gz MNVDHHJSTJNPOD-SQWLQELKSA-N -1 0 337.847 3.697 20 0 EHADRM COc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)ccc1C ZINC000262399042 961696978 /nfs/dbraw/zinc/69/69/78/961696978.db2.gz LVCVMJCUJFUTJU-UHFFFAOYSA-N -1 0 343.379 3.741 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1ccccc1NC1CCCCC1)C(=O)[O-] ZINC001588830216 961701231 /nfs/dbraw/zinc/70/12/31/961701231.db2.gz QWFJYOJXOLWJLI-MRXNPFEDSA-N -1 0 332.444 3.518 20 0 EHADRM CC(C)[C@H](CNC(=O)c1ccc2c(c1)oc1ccccc12)C(=O)[O-] ZINC001588830255 961702675 /nfs/dbraw/zinc/70/26/75/961702675.db2.gz TXZHPHXQCMWXRF-HNNXBMFYSA-N -1 0 325.364 3.673 20 0 EHADRM C/C(=C/C(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1)c1cccc(F)c1 ZINC001333521599 961711221 /nfs/dbraw/zinc/71/12/21/961711221.db2.gz LFYLDWNSXUINKL-BLSFAOBESA-N -1 0 341.382 3.870 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)CC1 ZINC000262740032 961840051 /nfs/dbraw/zinc/84/00/51/961840051.db2.gz WFRDAMBFPVJLDZ-GPMSIDNRSA-N -1 0 341.451 3.946 20 0 EHADRM CCOc1ccc(NC(=O)CCc2ccccc2C(=O)[O-])c(C)c1 ZINC000262773816 961860323 /nfs/dbraw/zinc/86/03/23/961860323.db2.gz WTBDRVQAUKGJDD-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM CC(C)C[C@@H](C)CC(=O)Nc1sc2c(c1C(=O)[O-])COCC2 ZINC001588846542 961878766 /nfs/dbraw/zinc/87/87/66/961878766.db2.gz RIJFBWYELLSKRB-SNVBAGLBSA-N -1 0 325.430 3.530 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N(Cc1ccccc1)CC(C)C)C(=O)[O-] ZINC001588846742 961885893 /nfs/dbraw/zinc/88/58/93/961885893.db2.gz DRSQZUALPBRCGG-KRWDZBQOSA-N -1 0 334.460 3.601 20 0 EHADRM CC[C@@H](CC(=O)Nc1ccc(C(=O)[O-])c(OC)c1)c1ccccc1 ZINC000262852882 961919869 /nfs/dbraw/zinc/91/98/69/961919869.db2.gz DIYWRIVAMMSRKI-ZDUSSCGKSA-N -1 0 327.380 3.916 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)Cc2cccc(C(F)F)c2)c2ccccc21 ZINC001574538410 961932472 /nfs/dbraw/zinc/93/24/72/961932472.db2.gz LFQWPUPPCNRZCX-HOTGVXAUSA-N -1 0 345.345 3.596 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)C1 ZINC000262865677 961934740 /nfs/dbraw/zinc/93/47/40/961934740.db2.gz CGUGTDVJKZXQDP-SQWLQELKSA-N -1 0 335.831 3.798 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2occc2CSc2ccccc2)C1 ZINC000262873239 961945141 /nfs/dbraw/zinc/94/51/41/961945141.db2.gz DHILTTCFGLATJJ-OCCSQVGLSA-N -1 0 345.420 3.555 20 0 EHADRM CC(C)C[C@H](CNC(=O)NC1(Cc2ccccc2)CCCC1)C(=O)[O-] ZINC001588852804 961947703 /nfs/dbraw/zinc/94/77/03/961947703.db2.gz PRRUQTRCGOKPRY-QGZVFWFLSA-N -1 0 346.471 3.588 20 0 EHADRM CC[C@H]1CC[C@H](C(=O)N[C@H](C)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC000262882287 961955917 /nfs/dbraw/zinc/95/59/17/961955917.db2.gz BVEZZKIGQRQILS-IIAWOOMASA-N -1 0 333.428 3.544 20 0 EHADRM CN(c1ccccc1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1CCCC1 ZINC001574021652 961964211 /nfs/dbraw/zinc/96/42/11/961964211.db2.gz AZDIGSMGAHMEPE-UONOGXRCSA-N -1 0 330.428 3.505 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1cccnc1-c1ccccc1)C(=O)[O-] ZINC001588854883 961966691 /nfs/dbraw/zinc/96/66/91/961966691.db2.gz PDJIACSFOQQREG-HNNXBMFYSA-N -1 0 341.411 3.617 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)/C=C/SCc2ccco2)cc1 ZINC001337289667 961980459 /nfs/dbraw/zinc/98/04/59/961980459.db2.gz ROTYNFFEYJXNDX-DZZUKKPASA-N -1 0 345.420 3.667 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)CCCC1 ZINC000262943622 962029185 /nfs/dbraw/zinc/02/91/85/962029185.db2.gz QCCIYNYMWIVSEA-QZTJIDSGSA-N -1 0 337.419 3.847 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)cc1F ZINC001588867716 962030655 /nfs/dbraw/zinc/03/06/55/962030655.db2.gz GILXFSCOJLPKQN-GOSISDBHSA-N -1 0 337.391 3.690 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)c2ccc(C(=O)[O-])nc2)cc1F ZINC001588867912 962035756 /nfs/dbraw/zinc/03/57/56/962035756.db2.gz OMGLLTPFKLZRRX-UHFFFAOYSA-N -1 0 346.358 3.596 20 0 EHADRM C[C@@H](C(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1)C(C)(C)C ZINC000262967967 962054849 /nfs/dbraw/zinc/05/48/49/962054849.db2.gz JSNSDQVRVXDRAF-AWEZNQCLSA-N -1 0 331.456 3.848 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000262996090 962088683 /nfs/dbraw/zinc/08/86/83/962088683.db2.gz QTZNTKMBWSTQQP-IAQYHMDHSA-N -1 0 345.370 3.578 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(C3CCCCC3)cc2)CC[C@H]1C(=O)[O-] ZINC000263015402 962117747 /nfs/dbraw/zinc/11/77/47/962117747.db2.gz PVSBYQKLLGRRBK-KBXCAEBGSA-N -1 0 329.440 3.917 20 0 EHADRM CC(C)COc1ccccc1NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001588880260 962136240 /nfs/dbraw/zinc/13/62/40/962136240.db2.gz DHSWWBUHNCROBT-BQYQJAHWSA-N -1 0 329.352 3.665 20 0 EHADRM CN(C(=O)NCCCCC(=O)[O-])[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001341434653 962138357 /nfs/dbraw/zinc/13/83/57/962138357.db2.gz WERRRRGPHGDHFO-SJORKVTESA-N -1 0 332.444 3.609 20 0 EHADRM COCc1cc(NC(=O)Cc2c(C)cc(C)cc2C)cc(C(=O)[O-])c1 ZINC000263027899 962140190 /nfs/dbraw/zinc/14/01/90/962140190.db2.gz BTFVPSCZTZBAKC-UHFFFAOYSA-N -1 0 341.407 3.638 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@H](C)SCc1ccccc1)CC(=O)[O-] ZINC001588887319 962181955 /nfs/dbraw/zinc/18/19/55/962181955.db2.gz FRJNTGZZCZFFKJ-HOCLYGCPSA-N -1 0 337.485 3.562 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CC[C@H](c2ccccc2)[C@@H]1C)CC(=O)[O-] ZINC001588890823 962203978 /nfs/dbraw/zinc/20/39/78/962203978.db2.gz ZPMIIRXMXASLCB-BQFCYCMXSA-N -1 0 346.471 3.711 20 0 EHADRM C[C@H]1CN(C(=O)C(C)(C)CCCc2ccccc2)CC[C@H]1C(=O)[O-] ZINC000263085665 962233344 /nfs/dbraw/zinc/23/33/44/962233344.db2.gz VCVOCFQJMLXNAC-DOTOQJQBSA-N -1 0 331.456 3.605 20 0 EHADRM CC[C@H](C)[C@H](C(=O)NCc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000263099575 962250889 /nfs/dbraw/zinc/25/08/89/962250889.db2.gz CSOOFOZQZLBEJI-LRDDRELGSA-N -1 0 331.437 3.892 20 0 EHADRM CCC(CC)CC(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC000263141359 962295242 /nfs/dbraw/zinc/29/52/42/962295242.db2.gz WQYKZZKJUQAWBJ-UHFFFAOYSA-N -1 0 331.456 3.992 20 0 EHADRM Cc1ccc(NC(=O)NC2(CC(=O)[O-])CCC2)c(Cl)c1Cl ZINC001346118687 962321613 /nfs/dbraw/zinc/32/16/13/962321613.db2.gz VSYQFAATOBSHBG-UHFFFAOYSA-N -1 0 331.199 3.821 20 0 EHADRM Cc1nc(CCCC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cs1 ZINC000263179229 962334752 /nfs/dbraw/zinc/33/47/52/962334752.db2.gz HAUIJIAANVSIBZ-LLVKDONJSA-N -1 0 332.425 3.601 20 0 EHADRM CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCCCCC(=O)[O-] ZINC000263179367 962335570 /nfs/dbraw/zinc/33/55/70/962335570.db2.gz REECWNFOBGJTGG-CYBMUJFWSA-N -1 0 345.361 3.645 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2ccccc2Oc2ccccc2)C1 ZINC000263289904 962429702 /nfs/dbraw/zinc/42/97/02/962429702.db2.gz LYCWCMYOHWQIME-LSDHHAIUSA-N -1 0 339.391 3.596 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)c1 ZINC000263292973 962432368 /nfs/dbraw/zinc/43/23/68/962432368.db2.gz MLJVKUHDRWFQMK-JJMVLAAESA-N -1 0 345.345 3.895 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000263305202 962447624 /nfs/dbraw/zinc/44/76/24/962447624.db2.gz VSULEPYNLDIMNM-UWJYYQICSA-N -1 0 335.403 3.844 20 0 EHADRM CO[C@H](C(=O)[O-])C(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1 ZINC001574106685 962448500 /nfs/dbraw/zinc/44/85/00/962448500.db2.gz XKBORJOBOBAONF-WBMJQRKESA-N -1 0 345.420 3.578 20 0 EHADRM C[C@H](NC(=O)CCCCC(=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000263317182 962459097 /nfs/dbraw/zinc/45/90/97/962459097.db2.gz QNDXXAOZMIWFNM-AWEZNQCLSA-N -1 0 326.396 3.571 20 0 EHADRM O=C([O-])C1CN(c2ncnc3cc(-c4ccc(Cl)cc4)sc32)C1 ZINC001574661448 962492834 /nfs/dbraw/zinc/49/28/34/962492834.db2.gz NOFQJQJVNSFUOS-UHFFFAOYSA-N -1 0 345.811 3.533 20 0 EHADRM CCOc1ccc(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)cc1OC ZINC000263343673 962494576 /nfs/dbraw/zinc/49/45/76/962494576.db2.gz SPIXXIILMFQJRC-GFCCVEGCSA-N -1 0 343.379 3.534 20 0 EHADRM Cc1nc(C(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)ccc1C(=O)[O-] ZINC000263332128 1125482988 /nfs/dbraw/zinc/48/29/88/1125482988.db2.gz MIQSPSOZJDOFKX-AWEZNQCLSA-N -1 0 338.407 3.529 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)N(CC2CC2)c2cccc(F)c2)co1 ZINC001574665770 962506164 /nfs/dbraw/zinc/50/61/64/962506164.db2.gz MKYLXGDEIHFXAT-SREVYHEPSA-N -1 0 329.327 3.573 20 0 EHADRM CCO[C@H](C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC000263357337 962514687 /nfs/dbraw/zinc/51/46/87/962514687.db2.gz XISIMOIVGYKIMF-GUYCJALGSA-N -1 0 327.380 3.591 20 0 EHADRM CC(C)(Cc1ccccc1Cl)NC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000263360940 962518285 /nfs/dbraw/zinc/51/82/85/962518285.db2.gz UCXLZAXKKGVADG-UHFFFAOYSA-N -1 0 345.826 3.718 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000263364942 962524242 /nfs/dbraw/zinc/52/42/42/962524242.db2.gz ZMOKDCCYEUOISI-DYVFJYSZSA-N -1 0 333.428 3.941 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)Nc2nnc(C3CCCCC3)s2)co1 ZINC001574668281 962531732 /nfs/dbraw/zinc/53/17/32/962531732.db2.gz XTPILBXWQZHVKZ-SREVYHEPSA-N -1 0 347.396 3.529 20 0 EHADRM O=C([O-])c1cnc(N2CCC(Sc3ccc(Cl)cc3)CC2)cn1 ZINC000263386452 962543953 /nfs/dbraw/zinc/54/39/53/962543953.db2.gz DYWRAMUCKRVCJR-UHFFFAOYSA-N -1 0 349.843 3.589 20 0 EHADRM Cc1oc(CN(C)C(=O)c2cc(C(C)(C)C)oc2C)cc1C(=O)[O-] ZINC001352882918 962640332 /nfs/dbraw/zinc/64/03/32/962640332.db2.gz NQEAGPBJGXEHHV-UHFFFAOYSA-N -1 0 333.384 3.757 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)CC2CC(OC(C)(C)C)C2)cc1 ZINC001354027678 962689770 /nfs/dbraw/zinc/68/97/70/962689770.db2.gz OAIICFWIIGDGPQ-PREGVCBESA-N -1 0 347.455 3.611 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000263532096 962712614 /nfs/dbraw/zinc/71/26/14/962712614.db2.gz MYTBYOSRGWDPPE-YPMHNXCESA-N -1 0 349.324 3.579 20 0 EHADRM CC(C)n1c(NC(=O)c2coc(/C=C\C(=O)[O-])c2)nc2ccccc21 ZINC001588980513 962713162 /nfs/dbraw/zinc/71/31/62/962713162.db2.gz CLADYCUDCFJOCO-FPLPWBNLSA-N -1 0 339.351 3.560 20 0 EHADRM CC(C)(NC(=O)CCCCC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000263563183 962731375 /nfs/dbraw/zinc/73/13/75/962731375.db2.gz DDEBWCCPXAUJAU-UHFFFAOYSA-N -1 0 347.333 3.582 20 0 EHADRM CC(C)n1nc(-c2ccco2)cc1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001588983018 962751172 /nfs/dbraw/zinc/75/11/72/962751172.db2.gz LZRIKIJQXJFVPZ-UHFFFAOYSA-N -1 0 339.351 3.675 20 0 EHADRM CON(C(=O)[C@@H](C(=O)[O-])C(C)C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001574170307 962767849 /nfs/dbraw/zinc/76/78/49/962767849.db2.gz MTFZNYATPMXDSG-GWCFXTLKSA-N -1 0 347.333 3.513 20 0 EHADRM COc1ccc([C@H](C)CC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001574201635 962886920 /nfs/dbraw/zinc/88/69/20/962886920.db2.gz BIQSCIMHMPFJLR-CZUORRHYSA-N -1 0 335.444 3.585 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)cc1F ZINC001574201692 962887742 /nfs/dbraw/zinc/88/77/42/962887742.db2.gz DXYDWYMWQJIIMX-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM C[C@@H](CC1CCCC1)C(=O)N1CCCC[C@@H]1c1ccc(C(=O)[O-])n1C ZINC001526767204 962909351 /nfs/dbraw/zinc/90/93/51/962909351.db2.gz XOFMSFZKIMFXEP-WMLDXEAASA-N -1 0 346.471 3.993 20 0 EHADRM Cn1c(C(=O)[O-])ccc1[C@H]1CCCCN1C(=O)[C@H]1CCCC2(CC2)C1 ZINC001526766934 962909531 /nfs/dbraw/zinc/90/95/31/962909531.db2.gz WOIVYWYZMLAHCN-GOEBONIOSA-N -1 0 344.455 3.747 20 0 EHADRM C[C@H]1CN(Cc2ccc(Br)cc2Cl)CC[C@H]1C(=O)[O-] ZINC000311577528 963492361 /nfs/dbraw/zinc/49/23/61/963492361.db2.gz SODWUWBSNUAJKC-JOYOIKCWSA-N -1 0 346.652 3.645 20 0 EHADRM O=C([O-])c1ccc(Oc2cc(F)c(Br)cc2Cl)nn1 ZINC000311619721 963497362 /nfs/dbraw/zinc/49/73/62/963497362.db2.gz HZLVMUUEWZFNCY-UHFFFAOYSA-N -1 0 347.527 3.522 20 0 EHADRM Cc1ccc(Br)cc1CN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000313564617 963667479 /nfs/dbraw/zinc/66/74/79/963667479.db2.gz HKLUXWJRLWMXGA-UHFFFAOYSA-N -1 0 346.224 3.972 20 0 EHADRM Cc1cc(NC(=O)c2cc(F)c(F)c(F)c2F)sc1C(=O)[O-] ZINC000314260504 963732511 /nfs/dbraw/zinc/73/25/11/963732511.db2.gz MIFXAHKGNKZTTL-UHFFFAOYSA-N -1 0 333.262 3.563 20 0 EHADRM O=C([O-])CC1(CC(=O)NCc2ccc(F)c(Cl)c2)CCCC1 ZINC000315229644 963867758 /nfs/dbraw/zinc/86/77/58/963867758.db2.gz QTWKBANGIDZOFU-UHFFFAOYSA-N -1 0 327.783 3.521 20 0 EHADRM O=C([O-])c1c(NC(=O)c2ccc(F)c(Cl)c2)sc2c1CCC2 ZINC000316930786 964075858 /nfs/dbraw/zinc/07/58/58/964075858.db2.gz DTTVMBABFRQLMV-UHFFFAOYSA-N -1 0 339.775 3.980 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1ccc(Cl)nc1Cl ZINC000235800899 967768377 /nfs/dbraw/zinc/76/83/77/967768377.db2.gz JDPSCIARMVTHAR-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)C1 ZINC000261891505 967806658 /nfs/dbraw/zinc/80/66/58/967806658.db2.gz TZGFQRPIISFXSL-LLVKDONJSA-N -1 0 335.812 3.615 20 0 EHADRM Cc1ccc(NC(=O)N(C)C[C@H](C)C(=O)[O-])cc1OCCC(C)C ZINC000263026947 967838130 /nfs/dbraw/zinc/83/81/30/967838130.db2.gz JYTOBIMYFKZXBB-AWEZNQCLSA-N -1 0 336.432 3.604 20 0 EHADRM CC(C)c1ccc([C@@H](NC(=O)NCCC(=O)[O-])c2cccs2)cc1 ZINC000263020075 967838208 /nfs/dbraw/zinc/83/82/08/967838208.db2.gz OKAPJWIRGBPQOE-QGZVFWFLSA-N -1 0 346.452 3.735 20 0 EHADRM C[C@@H]1CN(C(=O)C2CCC(c3ccccc3)CC2)CC[C@H]1C(=O)[O-] ZINC000263100047 967846328 /nfs/dbraw/zinc/84/63/28/967846328.db2.gz VWTFKXFOMFDWBZ-AGERRDQYSA-N -1 0 329.440 3.530 20 0 EHADRM Cc1ccc(-c2cccc(CNC(=O)N(C)C[C@@H](C)C(=O)[O-])c2)cc1 ZINC000263247122 967865139 /nfs/dbraw/zinc/86/51/39/967865139.db2.gz OKYXFQRZETZZGQ-OAHLLOKOSA-N -1 0 340.423 3.524 20 0 EHADRM C[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000311385535 967948096 /nfs/dbraw/zinc/94/80/96/967948096.db2.gz OUENLLMFBUJWOD-GYSYKLTISA-N -1 0 326.234 3.553 20 0 EHADRM Cc1cc(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)c(Cl)cc1F ZINC000319493199 967999380 /nfs/dbraw/zinc/99/93/80/967999380.db2.gz ZTQGVNPAZHANEM-JTQLQIEISA-N -1 0 328.771 3.506 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000324374638 968030911 /nfs/dbraw/zinc/03/09/11/968030911.db2.gz KFILQZJZZOXTJU-SNVBAGLBSA-N -1 0 346.305 3.695 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)N2CCCc3ccccc3C2)c1 ZINC000392701661 968202477 /nfs/dbraw/zinc/20/24/77/968202477.db2.gz PMUKWSIINBPISU-UHFFFAOYSA-N -1 0 338.407 3.684 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1cscc1Br ZINC000404763385 968329199 /nfs/dbraw/zinc/32/91/99/968329199.db2.gz KHKIYZKLOXTNBI-UHFFFAOYSA-N -1 0 332.200 3.523 20 0 EHADRM Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)NCCCCCC(=O)[O-] ZINC000414623983 968338783 /nfs/dbraw/zinc/33/87/83/968338783.db2.gz IBASTQNSEHOHKI-INIZCTEOSA-N -1 0 336.407 3.626 20 0 EHADRM CC(C)(CCNC(=O)N(C1CC1)[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC000424402255 968362139 /nfs/dbraw/zinc/36/21/39/968362139.db2.gz GFHHSMNWAYBJBD-KRWDZBQOSA-N -1 0 344.455 3.739 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1)C(=O)[O-] ZINC000424404289 968363669 /nfs/dbraw/zinc/36/36/69/968363669.db2.gz CBHQLAKOAAQNIP-RBSFLKMASA-N -1 0 336.432 3.509 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000507401429 968387535 /nfs/dbraw/zinc/38/75/35/968387535.db2.gz JEZMBUQDOBBGPR-JKSUJKDBSA-N -1 0 329.327 3.667 20 0 EHADRM Cc1cc(OC(C)C)ccc1NC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647693750 968575918 /nfs/dbraw/zinc/57/59/18/968575918.db2.gz GWAOSLBSVGUPLT-UHFFFAOYSA-N -1 0 334.416 3.501 20 0 EHADRM Cc1nc(-c2ccccc2NC(=O)NC[C@@H](C(=O)[O-])C(C)C)cs1 ZINC000653544988 968676446 /nfs/dbraw/zinc/67/64/46/968676446.db2.gz RRXYHILAXNWSCN-CYBMUJFWSA-N -1 0 347.440 3.597 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655581457 968687340 /nfs/dbraw/zinc/68/73/40/968687340.db2.gz ZEQZPVIQWRXKAT-OSRSDYAFSA-N -1 0 347.455 3.729 20 0 EHADRM Cc1ccc(C)c([C@@H]2CCCN2C(=O)NC[C@H](C(=O)[O-])C(C)C)c1 ZINC000655894052 968708590 /nfs/dbraw/zinc/70/85/90/968708590.db2.gz UYCPRKYJDKIBKM-IRXDYDNUSA-N -1 0 332.444 3.507 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](Nc2nc3cccc(OC(F)F)c3s2)C1 ZINC000662881989 968759264 /nfs/dbraw/zinc/75/92/64/968759264.db2.gz GUDXBNCNLIIFNC-SFYZADRCSA-N -1 0 328.340 3.563 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC(Cc3ccccc3Cl)CC2)C1 ZINC000864217727 969327214 /nfs/dbraw/zinc/32/72/14/969327214.db2.gz PFRDCGFETPVLGD-JKSUJKDBSA-N -1 0 349.858 3.622 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc(C)c(N2CCCC2)c1)C(=O)[O-] ZINC000871656987 969349818 /nfs/dbraw/zinc/34/98/18/969349818.db2.gz GHHLPMJIIOGCOL-UHFFFAOYSA-N -1 0 347.459 3.608 20 0 EHADRM CCC(CC)(CNC(=O)c1sc2ncccc2c1Cl)C(=O)[O-] ZINC000901693236 969458945 /nfs/dbraw/zinc/45/89/45/969458945.db2.gz BBCMGYATSNEMKK-UHFFFAOYSA-N -1 0 340.832 3.571 20 0 EHADRM CC(C)c1oc(-c2ccccc2)nc1C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC001351986634 969773275 /nfs/dbraw/zinc/77/32/75/969773275.db2.gz XBTZDHNRXLNZBQ-AWEZNQCLSA-N -1 0 342.395 3.544 20 0 EHADRM O=C([O-])[C@H](CC1CC1)NC(=O)c1sc2cc(F)ccc2c1Cl ZINC000319290874 970521332 /nfs/dbraw/zinc/52/13/32/970521332.db2.gz HOBTYBDTWCLITI-JTQLQIEISA-N -1 0 341.791 3.677 20 0 EHADRM CC[C@H](C)[C@@H](C)Nc1cc(I)cc(C(=O)[O-])c1 ZINC000319550465 970546654 /nfs/dbraw/zinc/54/66/54/970546654.db2.gz OLJXHXGNACCGOK-DTWKUNHWSA-N -1 0 347.196 3.836 20 0 EHADRM Cc1cc(NC(=O)COc2ccc(C(C)C)cc2)sc1C(=O)[O-] ZINC000319972680 970595909 /nfs/dbraw/zinc/59/59/09/970595909.db2.gz JTUMFIHVCFPSFK-UHFFFAOYSA-N -1 0 333.409 3.896 20 0 EHADRM COc1ccc(C(=O)[O-])cc1COc1ccc([N+](=O)[O-])cc1Cl ZINC000320194453 970628795 /nfs/dbraw/zinc/62/87/95/970628795.db2.gz BSHPBLGHSPWQCT-UHFFFAOYSA-N -1 0 337.715 3.534 20 0 EHADRM Cc1c(Cl)cccc1NC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000320230274 970634986 /nfs/dbraw/zinc/63/49/86/970634986.db2.gz MFVBBUUGZGBUAS-UHFFFAOYSA-N -1 0 332.787 3.711 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000320463965 970667517 /nfs/dbraw/zinc/66/75/17/970667517.db2.gz YFOZHPCITHSKLL-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)[C@@H]1CCCC(F)(F)C1)c1ccccc1 ZINC000320592589 970683499 /nfs/dbraw/zinc/68/34/99/970683499.db2.gz QRHFWGMBARMLNE-ZIAGYGMSSA-N -1 0 325.355 3.534 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2scnc2-c2ccccc2)cc1 ZINC000538007439 1032078568 /nfs/dbraw/zinc/07/85/68/1032078568.db2.gz LCONEOMGAIAWMM-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM C[C@H](c1ncc(-c2ccc(Cl)c(Cl)c2)o1)N(C)CC(=O)[O-] ZINC001603287804 972540836 /nfs/dbraw/zinc/54/08/36/972540836.db2.gz VQHNQMBYABDMLP-MRVPVSSYSA-N -1 0 329.183 3.726 20 0 EHADRM CN(CCC(=O)[O-])C(=O)Nc1cccc(Oc2ccccc2F)c1 ZINC001604143128 972548840 /nfs/dbraw/zinc/54/88/40/972548840.db2.gz MCESLXYWTALWLR-UHFFFAOYSA-N -1 0 332.331 3.556 20 0 EHADRM CSc1cccc(N(C)C(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC001604971579 972561846 /nfs/dbraw/zinc/56/18/46/972561846.db2.gz AFJGYEQMMHSFRZ-UHFFFAOYSA-N -1 0 330.409 3.704 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1cc(Cl)c(O)c2ccccc12 ZINC001603321762 972644167 /nfs/dbraw/zinc/64/41/67/972644167.db2.gz XSCBJXOSJSIPTE-KRWDZBQOSA-N -1 0 333.771 3.638 20 0 EHADRM O=C([O-])[C@H](C(=O)N[C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC001605893358 972702171 /nfs/dbraw/zinc/70/21/71/972702171.db2.gz WVYXLJOVAHFJBD-KBMXLJTQSA-N -1 0 335.831 3.593 20 0 EHADRM CC1(C)[C@H](C(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)[C@H]1c1ccccc1 ZINC001603336926 972717039 /nfs/dbraw/zinc/71/70/39/972717039.db2.gz YIYCFBNXDOZMOP-IXDOHACOSA-N -1 0 341.382 3.507 20 0 EHADRM Cc1c(NC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)ccc(F)c1F ZINC001605091133 972734988 /nfs/dbraw/zinc/73/49/88/972734988.db2.gz CBHBTZSUEJJMMP-SWLSCSKDSA-N -1 0 346.333 3.708 20 0 EHADRM Cc1c(NC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)ccc(F)c1F ZINC001605091135 972735193 /nfs/dbraw/zinc/73/51/93/972735193.db2.gz CBHBTZSUEJJMMP-WFASDCNBSA-N -1 0 346.333 3.708 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NC[C@H](C)Oc2cccc(Cl)c2)c1 ZINC001605138654 972804437 /nfs/dbraw/zinc/80/44/37/972804437.db2.gz PENOMNBURCBYLT-LBPRGKRZSA-N -1 0 347.798 3.544 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2cccc(Cl)c2N(C)C)c1 ZINC001605140593 972811980 /nfs/dbraw/zinc/81/19/80/972811980.db2.gz DOPOUCDYJQWSCY-UHFFFAOYSA-N -1 0 332.787 3.665 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2ccc3ccccc3c2O)cc1 ZINC000396352197 972862536 /nfs/dbraw/zinc/86/25/36/972862536.db2.gz AXGDQTRQHUPRAK-LBPRGKRZSA-N -1 0 335.359 3.986 20 0 EHADRM Cc1cc(CNC(=O)[C@H](C(=O)[O-])C(C)C)ccc1-c1ccccc1 ZINC001605171981 972875764 /nfs/dbraw/zinc/87/57/64/972875764.db2.gz DXFNBCNMAXJXIU-GOSISDBHSA-N -1 0 325.408 3.635 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2cnc(Cl)c(C(F)(F)F)c2)CC=CCC1 ZINC001605942132 972889128 /nfs/dbraw/zinc/88/91/28/972889128.db2.gz LRXQFQKYTPXTHW-ZDUSSCGKSA-N -1 0 348.708 3.503 20 0 EHADRM C[C@@H]1CC(C)(C)c2cccc(NC(=O)C3(CC(=O)[O-])CCOCC3)c21 ZINC001603371347 972897638 /nfs/dbraw/zinc/89/76/38/972897638.db2.gz FKBRQVQMKTZSKY-CYBMUJFWSA-N -1 0 345.439 3.681 20 0 EHADRM C[C@@H]1C[C@H](NC(=O)[C@]2(C(=O)[O-])CC2(C)C)C[C@@H](c2ccccc2)C1 ZINC001603375228 972919995 /nfs/dbraw/zinc/91/99/95/972919995.db2.gz MZRPGMMZVSJGCL-PEMDQYIBSA-N -1 0 329.440 3.576 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)COc2cccc(Cl)c2)cc1 ZINC000396610209 972921924 /nfs/dbraw/zinc/92/19/24/972921924.db2.gz GXTSMAZUMXFBGV-LLVKDONJSA-N -1 0 333.771 3.546 20 0 EHADRM O=C([O-])[C@@]1(C(=O)OCc2cnc(-c3ccccc3)s2)CC=CCC1 ZINC001605952451 972922225 /nfs/dbraw/zinc/92/22/25/972922225.db2.gz XANJLDBGQHUIBX-GOSISDBHSA-N -1 0 343.404 3.664 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)CC(F)(F)F ZINC000396958125 972955970 /nfs/dbraw/zinc/95/59/70/972955970.db2.gz XEHTTXVMWNKCKE-SSDOTTSWSA-N -1 0 338.713 3.748 20 0 EHADRM Cc1cc(OCc2ccccc2)c(C(=O)NCCCCC(=O)[O-])s1 ZINC001605219903 972969555 /nfs/dbraw/zinc/96/95/55/972969555.db2.gz UGVWZRYXFOFMQN-UHFFFAOYSA-N -1 0 347.436 3.620 20 0 EHADRM Cc1ccc2c(CCNC(=O)C3(C(=O)[O-])CCCCCC3)c[nH]c2c1 ZINC001605310098 973133906 /nfs/dbraw/zinc/13/39/06/973133906.db2.gz JSVDJEIASBOZPD-UHFFFAOYSA-N -1 0 342.439 3.560 20 0 EHADRM O=C([O-])CC1(NC(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 ZINC000398405179 973136498 /nfs/dbraw/zinc/13/64/98/973136498.db2.gz YUZVRYIRWRNXAD-UHFFFAOYSA-N -1 0 344.219 3.945 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)C[C@@H]1C(=O)[O-] ZINC001603425102 973142998 /nfs/dbraw/zinc/14/29/98/973142998.db2.gz DOOXGNSOYKFZCB-WPRPVWTQSA-N -1 0 349.736 3.542 20 0 EHADRM Cc1ccc2occ(CC(=O)N[C@@H]3C[C@H](C(=O)[O-])c4ccccc43)c2c1 ZINC001605315171 973146214 /nfs/dbraw/zinc/14/62/14/973146214.db2.gz XOCREWWSCMZODJ-ZWKOTPCHSA-N -1 0 349.386 3.713 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc3c(ccc4ccccc34)[nH]2)C[C@@H]1C(=O)[O-] ZINC001603426104 973154430 /nfs/dbraw/zinc/15/44/30/973154430.db2.gz ZCFFLBLALDMKJJ-WBMJQRKESA-N -1 0 336.391 3.504 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ncc(C(C)(C)C)s2)sc1C ZINC000538011641 1032081101 /nfs/dbraw/zinc/08/11/01/1032081101.db2.gz YZIUFWMHEXZSNE-UHFFFAOYSA-N -1 0 330.500 3.920 20 0 EHADRM CC1(C(=O)[O-])CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000399300417 973210984 /nfs/dbraw/zinc/21/09/84/973210984.db2.gz XAOQNTQRRYXAIA-UHFFFAOYSA-N -1 0 341.251 3.631 20 0 EHADRM Cc1cccc(C2(NC(=O)NCc3ccccc3C(=O)[O-])CCC2)c1 ZINC001605335344 973216830 /nfs/dbraw/zinc/21/68/30/973216830.db2.gz BUZCYIVFBVPUCH-UHFFFAOYSA-N -1 0 338.407 3.572 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)C1(Cc2ccc(Cl)cc2)CC1 ZINC001606084805 973244715 /nfs/dbraw/zinc/24/47/15/973244715.db2.gz KMFBMXPXTIJKJK-HNNXBMFYSA-N -1 0 335.831 3.519 20 0 EHADRM C[C@@H]1c2ccccc2OCCN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001603482563 973394828 /nfs/dbraw/zinc/39/48/28/973394828.db2.gz NHLHVELIQYNXBG-LLVKDONJSA-N -1 0 344.342 3.511 20 0 EHADRM O=C([O-])CCCCC(=O)O[C@@H](c1nc2ccccc2o1)C(F)(F)F ZINC001606146302 973402514 /nfs/dbraw/zinc/40/25/14/973402514.db2.gz RSNSUPICRSFBDI-ZDUSSCGKSA-N -1 0 345.273 3.619 20 0 EHADRM CC[C@H](C)n1nc(NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc1C ZINC001603516810 973536088 /nfs/dbraw/zinc/53/60/88/973536088.db2.gz WZYLQQMBNBFMDG-WCQYABFASA-N -1 0 338.452 3.564 20 0 EHADRM CC[C@H](CC(=O)N1CCC[C@](CC)(C(=O)[O-])C1)c1ccc(OC)cc1 ZINC001603516732 973536509 /nfs/dbraw/zinc/53/65/09/973536509.db2.gz UQXOXRHWQCLENB-QRWLVFNGSA-N -1 0 347.455 3.682 20 0 EHADRM CC[C@H](CCc1ccccc1)NC(=O)NCC(CC)(CC)C(=O)[O-] ZINC001603548628 973608152 /nfs/dbraw/zinc/60/81/52/973608152.db2.gz JONCQNBYIHQUOT-MRXNPFEDSA-N -1 0 334.460 3.588 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)S3)cc1Cl ZINC000403834741 973691135 /nfs/dbraw/zinc/69/11/35/973691135.db2.gz WJSMHVPYJZYBDL-FGWVZKOKSA-N -1 0 340.832 3.586 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)[C@H](C)CSCc2ccccc2)C1 ZINC001603594448 973823669 /nfs/dbraw/zinc/82/36/69/973823669.db2.gz WQRQJQYCWDUPOQ-DNVCBOLYSA-N -1 0 349.496 3.659 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1(Cc2cccs2)CCCCC1 ZINC001606394844 973845160 /nfs/dbraw/zinc/84/51/60/973845160.db2.gz ZVEMHDZJFMCWGJ-CABCVRRESA-N -1 0 335.469 3.611 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)N[C@H](C)C(C)(C)c2ccccc2)C1 ZINC001603601927 973861879 /nfs/dbraw/zinc/86/18/79/973861879.db2.gz WEAZLMAHMYLFJK-QRWLVFNGSA-N -1 0 346.471 3.639 20 0 EHADRM O=C([O-])CCCCCNC(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000414640694 973945089 /nfs/dbraw/zinc/94/50/89/973945089.db2.gz KFMBIMSFGDKBOY-IAGOWNOFSA-N -1 0 332.444 3.657 20 0 EHADRM O=C([O-])[C@H](NCc1cnc(C2CCCC2)s1)c1ccccc1F ZINC000417560036 973960886 /nfs/dbraw/zinc/96/08/86/973960886.db2.gz ZCPKCFOSWSCLBT-OAHLLOKOSA-N -1 0 334.416 3.855 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)NCCCCCC(=O)[O-] ZINC000417745508 973966955 /nfs/dbraw/zinc/96/69/55/973966955.db2.gz BAKSNHVRUUDRKR-UHFFFAOYSA-N -1 0 330.837 3.828 20 0 EHADRM CCSc1cccc(F)c1NC(=O)NCCCCCC(=O)[O-] ZINC000417783467 973968578 /nfs/dbraw/zinc/96/85/78/973968578.db2.gz ZAXQUGNWRFZSOA-UHFFFAOYSA-N -1 0 328.409 3.704 20 0 EHADRM Cc1ccc(-c2ncccc2NC(=O)NCCCCCC(=O)[O-])s1 ZINC000417774195 973969214 /nfs/dbraw/zinc/96/92/14/973969214.db2.gz MOCWOCUJMMHOPB-UHFFFAOYSA-N -1 0 347.440 3.885 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccnn1[C@@H](C)CC(C)C)C(=O)[O-] ZINC000424380869 974022247 /nfs/dbraw/zinc/02/22/47/974022247.db2.gz LMEXRLSVUATBOC-ZDUSSCGKSA-N -1 0 338.452 3.503 20 0 EHADRM COc1ccc(N(C)C(=O)Nc2cccc(CC(=O)[O-])c2)cc1Cl ZINC001604806096 974041298 /nfs/dbraw/zinc/04/12/98/974041298.db2.gz FWGABYJJQBZBLD-UHFFFAOYSA-N -1 0 348.786 3.644 20 0 EHADRM COCc1cc(NC(=O)c2cc(SC)ccc2C)cc(C(=O)[O-])c1 ZINC000427710758 974056688 /nfs/dbraw/zinc/05/66/88/974056688.db2.gz GMEZVHNVIMWKNS-UHFFFAOYSA-N -1 0 345.420 3.814 20 0 EHADRM C[C@H](C(=O)[O-])N(C)C(=O)c1ccc(-c2ccc(Cl)cc2)cc1F ZINC000427966415 974058351 /nfs/dbraw/zinc/05/83/51/974058351.db2.gz BABGMRLKQXYUEK-SNVBAGLBSA-N -1 0 335.762 3.691 20 0 EHADRM CC(C)c1ccc(C(=O)N(CCc2ccccc2)CC(=O)[O-])cc1 ZINC000427750493 974058846 /nfs/dbraw/zinc/05/88/46/974058846.db2.gz VNWLBQIHDAHPEZ-UHFFFAOYSA-N -1 0 325.408 3.580 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000431452914 974065261 /nfs/dbraw/zinc/06/52/61/974065261.db2.gz ZFNDFZBBMCPDCF-UHFFFAOYSA-N -1 0 337.419 3.831 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000431461319 974065383 /nfs/dbraw/zinc/06/53/83/974065383.db2.gz ZYSCFWUTUSMRTP-MKBNYLNASA-N -1 0 325.836 3.524 20 0 EHADRM COc1ccc2c(c1)CCCCN2C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001604843297 974081810 /nfs/dbraw/zinc/08/18/10/974081810.db2.gz QSDGPANZCVDZPS-UHFFFAOYSA-N -1 0 339.391 3.685 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000431991976 974082120 /nfs/dbraw/zinc/08/21/20/974082120.db2.gz MQNWGJBSYDPAPU-GFCCVEGCSA-N -1 0 331.799 3.784 20 0 EHADRM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000432093191 974085618 /nfs/dbraw/zinc/08/56/18/974085618.db2.gz CFGLWYBCBPRQDX-VLIAUNLRSA-N -1 0 337.419 3.757 20 0 EHADRM C[C@]1(NC(=O)c2cc(Cl)cc(Cl)c2)CCCC[C@@H]1C(=O)[O-] ZINC000432102401 974086743 /nfs/dbraw/zinc/08/67/43/974086743.db2.gz JWPBVUFGYRHFDO-DOMZBBRYSA-N -1 0 330.211 3.757 20 0 EHADRM Cc1ccc(C)c([C@H](C)N(C)C(=O)Cc2cccc(C(=O)[O-])c2)c1 ZINC000432120588 974088905 /nfs/dbraw/zinc/08/89/05/974088905.db2.gz QTEYUUGLPFVGOT-HNNXBMFYSA-N -1 0 325.408 3.764 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2/C=C/c2ccccc2)s1 ZINC000432128879 974091250 /nfs/dbraw/zinc/09/12/50/974091250.db2.gz HWOXNOBCJNEIKW-VFNNOXKTSA-N -1 0 327.405 3.764 20 0 EHADRM COc1ccc2cc(COC(=O)C3(CC(=O)[O-])CCC3)ccc2c1 ZINC001604851357 974091755 /nfs/dbraw/zinc/09/17/55/974091755.db2.gz MRQNCPDKXKFBPZ-UHFFFAOYSA-N -1 0 328.364 3.537 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000455839802 974153055 /nfs/dbraw/zinc/15/30/55/974153055.db2.gz DBBPYJGQRJKNQB-INIZCTEOSA-N -1 0 341.407 3.809 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1ccccc1NC1CCCCC1 ZINC000455825785 974153423 /nfs/dbraw/zinc/15/34/23/974153423.db2.gz IKHPDGAKKCRIDY-UHFFFAOYSA-N -1 0 332.444 3.806 20 0 EHADRM C[C@H](NC(=O)c1sccc1C1CC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000455930979 974172507 /nfs/dbraw/zinc/17/25/07/974172507.db2.gz INWMNCATTXXHCE-BLLLJJGKSA-N -1 0 343.448 3.687 20 0 EHADRM COc1ccc(N)cc1Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001211487338 1014173618 /nfs/dbraw/zinc/17/36/18/1014173618.db2.gz CVGCLVGRLBZYRD-UHFFFAOYSA-N -1 0 326.274 3.738 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(CC(F)(F)F)cc2)c(F)c1 ZINC000478832845 974209385 /nfs/dbraw/zinc/20/93/85/974209385.db2.gz SCOJNZZGCCZMEQ-UHFFFAOYSA-N -1 0 341.260 3.881 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(F)cc2OCC2CC2)c(F)c1 ZINC000478844243 974210465 /nfs/dbraw/zinc/21/04/65/974210465.db2.gz KFOJOZGZIFZISQ-UHFFFAOYSA-N -1 0 347.317 3.704 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CC3(CCCC3)c3ccccc32)c(F)c1 ZINC000478854951 974211988 /nfs/dbraw/zinc/21/19/88/974211988.db2.gz LODXTYSCEMDEQK-UHFFFAOYSA-N -1 0 339.366 3.996 20 0 EHADRM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000478855805 974213178 /nfs/dbraw/zinc/21/31/78/974213178.db2.gz MSYKYXCYFWVTJA-DYZYQPBXSA-N -1 0 345.345 3.716 20 0 EHADRM COC(=O)Nc1cccc(NC(=O)CC2(CC(=O)[O-])CCCC2)c1C ZINC000496471122 974263114 /nfs/dbraw/zinc/26/31/14/974263114.db2.gz KVWWWBIIIWFOEG-UHFFFAOYSA-N -1 0 348.399 3.537 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)NCC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000517391133 974318562 /nfs/dbraw/zinc/31/85/62/974318562.db2.gz NUVXFNCOAHUZOY-LLVKDONJSA-N -1 0 345.361 3.600 20 0 EHADRM Cc1oc(CN2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)cc1C(=O)[O-] ZINC000519713844 974333874 /nfs/dbraw/zinc/33/38/74/974333874.db2.gz YWTZCLVQOPUFDE-PIGZYNQJSA-N -1 0 349.814 3.902 20 0 EHADRM CC(=O)Nc1cc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)ccc1C ZINC000530459779 974366258 /nfs/dbraw/zinc/36/62/58/974366258.db2.gz ALGGLXUFRPJQKA-UHFFFAOYSA-N -1 0 340.379 3.521 20 0 EHADRM CCc1c(C(=O)Nc2cc(C(=O)[O-])ccc2C)cnn1-c1ccccc1 ZINC000532253884 974371989 /nfs/dbraw/zinc/37/19/89/974371989.db2.gz FAKGJBVHAMKTNG-UHFFFAOYSA-N -1 0 349.390 3.694 20 0 EHADRM O=C([O-])CC1(NC(=O)C[C@@H]2CCCc3ccccc32)CCCCC1 ZINC000532255005 974373115 /nfs/dbraw/zinc/37/31/15/974373115.db2.gz OOVDEFDNBGMJOC-INIZCTEOSA-N -1 0 329.440 3.790 20 0 EHADRM CCOc1ccc2nc(NC(=O)C3(C(=O)[O-])CCCCC3)sc2c1 ZINC001603875373 974374870 /nfs/dbraw/zinc/37/48/70/974374870.db2.gz ASQDOYCOBLHYKZ-UHFFFAOYSA-N -1 0 348.424 3.669 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)c2c(C)cc(C)cc2C)C(=O)[O-])cc1 ZINC000533711216 974377847 /nfs/dbraw/zinc/37/78/47/974377847.db2.gz LELUMXCFQAEHIT-QGZVFWFLSA-N -1 0 325.408 3.518 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)o1 ZINC000537476832 974385402 /nfs/dbraw/zinc/38/54/02/974385402.db2.gz VUSGBCXRJTZMOX-OAHLLOKOSA-N -1 0 345.351 3.698 20 0 EHADRM CC(C)c1ccc(CCCNC(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC000538576256 974391088 /nfs/dbraw/zinc/39/10/88/974391088.db2.gz YALDMONBWOEGOL-UHFFFAOYSA-N -1 0 339.435 3.800 20 0 EHADRM CCN(C(=O)c1ccc(C(=O)[O-])o1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000538577732 974392123 /nfs/dbraw/zinc/39/21/23/974392123.db2.gz FEDXQVAPKHHPCD-OAHLLOKOSA-N -1 0 347.386 3.846 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@@H](c2ccccc2)C(C)C)cc1C ZINC000107960983 1014190861 /nfs/dbraw/zinc/19/08/61/1014190861.db2.gz VZQKPSMVWZULDQ-HYBUGGRVSA-N -1 0 343.492 3.925 20 0 EHADRM CCc1c2ccccc2oc1C(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001603966699 974441327 /nfs/dbraw/zinc/44/13/27/974441327.db2.gz LRQNXSMECJTURL-MRXNPFEDSA-N -1 0 341.338 3.690 20 0 EHADRM CCc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1Cl ZINC001603974767 974459319 /nfs/dbraw/zinc/45/93/19/974459319.db2.gz CFYUUCBBFLUTLP-INIZCTEOSA-N -1 0 346.814 3.720 20 0 EHADRM CC(C)c1ccc(O[C@@H](C)CNC(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000553521469 974480030 /nfs/dbraw/zinc/48/00/30/974480030.db2.gz BRKJANVUBOJLEE-AWEZNQCLSA-N -1 0 335.444 3.585 20 0 EHADRM C[C@H]1CCN(Cc2cc(-c3ccccc3Cl)on2)[C@@H](C(=O)[O-])C1 ZINC000563290720 974530140 /nfs/dbraw/zinc/53/01/40/974530140.db2.gz ZUHKAUPHIRFPKA-XHDPSFHLSA-N -1 0 334.803 3.680 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000563497891 974534936 /nfs/dbraw/zinc/53/49/36/974534936.db2.gz DIDWARCUQVTCRQ-CYBMUJFWSA-N -1 0 337.847 3.812 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)NC(C)(c1ccccc1)c1ccccc1 ZINC000563728518 974538531 /nfs/dbraw/zinc/53/85/31/974538531.db2.gz DGWIYYQOIGFNTJ-HNNXBMFYSA-N -1 0 325.408 3.567 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000564226418 974545787 /nfs/dbraw/zinc/54/57/87/974545787.db2.gz XDYPXCUFKMEKCS-FUHWJXTLSA-N -1 0 331.456 3.891 20 0 EHADRM C[C@@H](c1nc2ccccc2n1C(F)F)N1CCC(CC(=O)[O-])CC1 ZINC000565102612 974569225 /nfs/dbraw/zinc/56/92/25/974569225.db2.gz AWJJSHYQXMQNNI-NSHDSACASA-N -1 0 337.370 3.679 20 0 EHADRM CCc1ccc([C@@H]2CN(Cc3ccsc3C(=O)[O-])CCO2)cc1 ZINC000566361239 974609769 /nfs/dbraw/zinc/60/97/69/974609769.db2.gz FKQWGDMLDYQZQX-INIZCTEOSA-N -1 0 331.437 3.582 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1cc(Cl)ccc1OCC1CCC1 ZINC000566927056 974624792 /nfs/dbraw/zinc/62/47/92/974624792.db2.gz TYOPOWCJAFYBGB-LLVKDONJSA-N -1 0 339.819 3.958 20 0 EHADRM CCOc1ccc(-c2nc(CN(C)C3(C(=O)[O-])CCCC3)co2)cc1 ZINC000568287512 974666440 /nfs/dbraw/zinc/66/64/40/974666440.db2.gz BJZMDXSRBVOQNV-UHFFFAOYSA-N -1 0 344.411 3.570 20 0 EHADRM Cc1cc(C)cc(C2=CCN(Cc3nc(C(=O)[O-])cs3)CC2)c1 ZINC000568758166 974677447 /nfs/dbraw/zinc/67/74/47/974677447.db2.gz JEBBFRNUVCNXIY-UHFFFAOYSA-N -1 0 328.437 3.747 20 0 EHADRM O=C([O-])[C@H](c1c(F)cccc1Cl)N1CCc2sccc2C1 ZINC000569130761 974686038 /nfs/dbraw/zinc/68/60/38/974686038.db2.gz QUVPNQMMRJZGMB-AWEZNQCLSA-N -1 0 325.792 3.725 20 0 EHADRM COc1ccc(C[C@H](C)CNc2cccc(CC(=O)[O-])c2)cc1F ZINC000569329915 974688819 /nfs/dbraw/zinc/68/88/19/974688819.db2.gz ZHJFZSNETSCQLQ-ZDUSSCGKSA-N -1 0 331.387 3.752 20 0 EHADRM O=C([O-])c1cc(-c2cc(F)ccc2OC[C@@H]2CCCO2)ccc1F ZINC000571821921 974736894 /nfs/dbraw/zinc/73/68/94/974736894.db2.gz XVEDQZQUYIIHPD-ZDUSSCGKSA-N -1 0 334.318 3.888 20 0 EHADRM O=C([O-])[C@H](CNC(=O)Cc1ccc(-c2ccccc2)cc1)CC1CC1 ZINC000573571230 974767853 /nfs/dbraw/zinc/76/78/53/974767853.db2.gz SEJZHFRPFHJNDZ-IBGZPJMESA-N -1 0 337.419 3.513 20 0 EHADRM COc1ccc(OCCCN2CC[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000578746509 974861353 /nfs/dbraw/zinc/86/13/53/974861353.db2.gz ZSFZEYDDGTVWJG-GOSISDBHSA-N -1 0 341.407 3.543 20 0 EHADRM CCOc1ccc(-c2nc(CN([C@H](C)C(=O)[O-])C3CCC3)co2)cc1 ZINC000581955331 974918606 /nfs/dbraw/zinc/91/86/06/974918606.db2.gz BDIYVWUPJWTBNW-CYBMUJFWSA-N -1 0 344.411 3.568 20 0 EHADRM CCC1(CC)CN(Cc2noc(CCCC(=O)[O-])n2)c2ccccc21 ZINC000582246500 974923309 /nfs/dbraw/zinc/92/33/09/974923309.db2.gz CDTUKBZYXLTTEP-UHFFFAOYSA-N -1 0 343.427 3.555 20 0 EHADRM Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)C[C@H](C)CC(=O)[O-] ZINC000583703579 974944614 /nfs/dbraw/zinc/94/46/14/974944614.db2.gz BPZACQCFTPQXMH-XJKSGUPXSA-N -1 0 345.464 3.957 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2cnc(C3CC3)s2)cc1)C(=O)[O-] ZINC000584030606 974949615 /nfs/dbraw/zinc/94/96/15/974949615.db2.gz BKEWGIFQJHIFPP-SNVBAGLBSA-N -1 0 330.409 3.536 20 0 EHADRM CSCCc1ccccc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000602009958 975013461 /nfs/dbraw/zinc/01/34/61/975013461.db2.gz OWGZPTOQRQUTBT-UHFFFAOYSA-N -1 0 335.469 3.956 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1ccccc1-c1ccccc1 ZINC000618022560 975024465 /nfs/dbraw/zinc/02/44/65/975024465.db2.gz QQUHJPXDNFNZDS-OLZOCXBDSA-N -1 0 329.421 3.887 20 0 EHADRM CCc1ccc(C(C)(C)C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000621558613 975031572 /nfs/dbraw/zinc/03/15/72/975031572.db2.gz LPYXLPNEZMMIFM-UHFFFAOYSA-N -1 0 337.419 3.767 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@H]1CC[C@H](C3CCC3)CC1)C2 ZINC000621558338 975031670 /nfs/dbraw/zinc/03/16/70/975031670.db2.gz CPKAAKISEBIRNA-SHTZXODSSA-N -1 0 327.424 3.834 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)CCc1cc(Cl)cs1)C2 ZINC000621579481 975040172 /nfs/dbraw/zinc/04/01/72/975040172.db2.gz MCDNQSHBNQYAAH-UHFFFAOYSA-N -1 0 349.839 3.617 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000621611462 975060873 /nfs/dbraw/zinc/06/08/73/975060873.db2.gz CVUMCVYDNGYXFZ-OLZOCXBDSA-N -1 0 346.452 3.678 20 0 EHADRM Cc1cc(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)oc1C(=O)[O-] ZINC000630116042 975108491 /nfs/dbraw/zinc/10/84/91/975108491.db2.gz MVNPVMHZGSDAJN-HNNXBMFYSA-N -1 0 331.343 3.697 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(Cl)c2OC(C)C)oc1C(=O)[O-] ZINC000630118986 975109121 /nfs/dbraw/zinc/10/91/21/975109121.db2.gz DJJIXNDGCYIZCU-UHFFFAOYSA-N -1 0 337.759 3.979 20 0 EHADRM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2cncc(C(=O)[O-])c2)o1 ZINC000630122285 975110863 /nfs/dbraw/zinc/11/08/63/975110863.db2.gz IWGDWHZYRSMMCN-WBMJQRKESA-N -1 0 342.395 3.549 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000630153334 975132120 /nfs/dbraw/zinc/13/21/20/975132120.db2.gz YFGLLQWHQCTUOK-OAHLLOKOSA-N -1 0 329.396 3.688 20 0 EHADRM CCC[C@@H](C(=O)NCC1(CC(=O)[O-])CCCCC1)c1ccccn1 ZINC000630158891 975134854 /nfs/dbraw/zinc/13/48/54/975134854.db2.gz PRVGXBTWMHVBMY-OAHLLOKOSA-N -1 0 332.444 3.507 20 0 EHADRM CC[C@@H](CC(=O)NCc1ccc(CC(=O)[O-])cc1)c1ccc(C)cc1 ZINC000630231531 975179181 /nfs/dbraw/zinc/17/91/81/975179181.db2.gz CIZQJZADZLWMMR-SFHVURJKSA-N -1 0 339.435 3.822 20 0 EHADRM O=C([O-])c1ccc(F)c2c1CN(C(=O)c1sccc1C1CC1)CC2 ZINC000630237948 975182912 /nfs/dbraw/zinc/18/29/12/975182912.db2.gz FSCKMAONFRPECK-UHFFFAOYSA-N -1 0 345.395 3.661 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)C(C)(C)c2ccccc2)cc1F)C(=O)[O-] ZINC000630258677 975202240 /nfs/dbraw/zinc/20/22/40/975202240.db2.gz FWBFLWZPWQZPDB-LBPRGKRZSA-N -1 0 345.370 3.594 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1[nH]c2ccccc2c1Cl)C1CCCCC1 ZINC000630264764 975207634 /nfs/dbraw/zinc/20/76/34/975207634.db2.gz JOMKTWOCWILXIE-CYBMUJFWSA-N -1 0 348.830 3.832 20 0 EHADRM CC1(C)[C@H](c2ccc(F)cc2)CCN1C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000630267060 975211054 /nfs/dbraw/zinc/21/10/54/975211054.db2.gz GDDUSZACOAPHGH-ZOBUZTSGSA-N -1 0 347.430 3.811 20 0 EHADRM CC1(C)[C@@H](c2ccc(F)cc2)CCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000630268143 975211788 /nfs/dbraw/zinc/21/17/88/975211788.db2.gz RIFZITKULAEYKG-CYBMUJFWSA-N -1 0 347.411 3.994 20 0 EHADRM Cc1ccc(CCC(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)cc1Cl ZINC000630286094 975230354 /nfs/dbraw/zinc/23/03/54/975230354.db2.gz PVIPVAGRLDJSFR-VYDXJSESSA-N -1 0 349.858 3.683 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)Cc2ccccc2C(=O)[O-])c(C)c1 ZINC000630290685 975232959 /nfs/dbraw/zinc/23/29/59/975232959.db2.gz YGMFZSUYDNMERX-HNNXBMFYSA-N -1 0 325.408 3.764 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000630294217 975234274 /nfs/dbraw/zinc/23/42/74/975234274.db2.gz HAIUVQJSHRNFBZ-PEZLKRJXSA-N -1 0 329.440 3.671 20 0 EHADRM CCN(Cc1occc1C)C(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000630298293 975237513 /nfs/dbraw/zinc/23/75/13/975237513.db2.gz DIAJXFDGZPJFBJ-CYBMUJFWSA-N -1 0 347.436 3.816 20 0 EHADRM Cc1cc(C)c(CC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c(C)c1 ZINC000630328680 975256070 /nfs/dbraw/zinc/25/60/70/975256070.db2.gz SCLPRLCAZWOFAG-RBUKOAKNSA-N -1 0 337.419 3.981 20 0 EHADRM CC(C)(C)c1nc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)cs1 ZINC000630328958 975257001 /nfs/dbraw/zinc/25/70/01/975257001.db2.gz VTHURQDKAANHLJ-QWHCGFSZSA-N -1 0 344.436 3.881 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)C1CC(c3ccc(F)cc3)C1)C2 ZINC000634805461 975277003 /nfs/dbraw/zinc/27/70/03/975277003.db2.gz OZSZNDGBDDJQIT-UHFFFAOYSA-N -1 0 339.366 3.560 20 0 EHADRM C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)C[C@H](C)CC(=O)[O-] ZINC000634828346 975277694 /nfs/dbraw/zinc/27/76/94/975277694.db2.gz UCWYAEZVVMNYTN-SRVKXCTJSA-N -1 0 345.361 3.815 20 0 EHADRM CCCN(C(=O)c1ccc(C(=O)[O-])nc1)[C@H](CC)c1ccccc1 ZINC000642064735 975288083 /nfs/dbraw/zinc/28/80/83/975288083.db2.gz TWMKPHNQQWOEMT-QGZVFWFLSA-N -1 0 326.396 3.783 20 0 EHADRM COCc1c2ccccc2oc1C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000642147357 975289501 /nfs/dbraw/zinc/28/95/01/975289501.db2.gz CREYUIOFMFOYQH-UHFFFAOYSA-N -1 0 339.347 3.838 20 0 EHADRM CC(C)Cc1ccc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000642224424 975291460 /nfs/dbraw/zinc/29/14/60/975291460.db2.gz RDGLXMNFTADUIT-UHFFFAOYSA-N -1 0 325.408 3.856 20 0 EHADRM COc1cc2ccccc2cc1C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000642224423 975291706 /nfs/dbraw/zinc/29/17/06/975291706.db2.gz PSFVOMDVZKIWCE-UHFFFAOYSA-N -1 0 349.386 3.819 20 0 EHADRM CC(=O)Nc1cc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)ccc1C ZINC000643157410 975298204 /nfs/dbraw/zinc/29/82/04/975298204.db2.gz MGPSLPKIQUIMSE-UHFFFAOYSA-N -1 0 346.770 3.557 20 0 EHADRM O=C([O-])c1cnc(N[C@@H](c2ccccc2)[C@@H]2CCCO2)c(Cl)c1 ZINC000647446137 975359760 /nfs/dbraw/zinc/35/97/60/975359760.db2.gz BXCBKTSGQOONRY-GJZGRUSLSA-N -1 0 332.787 3.765 20 0 EHADRM Cc1ccc2cc(Cl)cc(C(=O)N(C[C@H](C)C(=O)[O-])C3CC3)c2n1 ZINC000649247215 975386402 /nfs/dbraw/zinc/38/64/02/975386402.db2.gz CANXISXLRLENLV-JTQLQIEISA-N -1 0 346.814 3.522 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C2CC3(CCC3)C2)C[C@H]1c1ccc(Cl)cc1 ZINC000649249087 975387562 /nfs/dbraw/zinc/38/75/62/975387562.db2.gz PPPJVLJRJAUDAI-JKSUJKDBSA-N -1 0 347.842 3.547 20 0 EHADRM Cc1ccc2cc(Cl)cc(C(=O)N3CC[C@H](C)C[C@@H]3C(=O)[O-])c2n1 ZINC000649251321 975389221 /nfs/dbraw/zinc/38/92/21/975389221.db2.gz VNZUMYOGZSGURV-ZUZCIYMTSA-N -1 0 346.814 3.522 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CC2(CCC2)C[C@@H]1C)C(=O)[O-] ZINC000649265092 975406414 /nfs/dbraw/zinc/40/64/14/975406414.db2.gz QRAJVEMJCZLQDV-STQMWFEESA-N -1 0 333.453 3.657 20 0 EHADRM Cc1c2cccc(C)c2oc1CN(C)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000650291405 975430648 /nfs/dbraw/zinc/43/06/48/975430648.db2.gz RAPKXTKYQJECOW-LSDHHAIUSA-N -1 0 343.423 3.899 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H]2CC[C@H](C)CC2)cc1 ZINC000652061793 975463665 /nfs/dbraw/zinc/46/36/65/975463665.db2.gz PGGYNXIHSBROSK-XNRPHZJLSA-N -1 0 335.469 3.867 20 0 EHADRM CC(C)O[C@@H](COC(=O)c1cscc1C(=O)[O-])c1ccccc1 ZINC001591685807 975485491 /nfs/dbraw/zinc/48/54/91/975485491.db2.gz ANSYFMBIOQNUSO-HNNXBMFYSA-N -1 0 334.393 3.769 20 0 EHADRM CC(C)O[C@H](COC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001591686609 975498230 /nfs/dbraw/zinc/49/82/30/975498230.db2.gz QDMYDGWCNHFGBF-BRWVUGGUSA-N -1 0 334.412 3.587 20 0 EHADRM COc1ccc(CN(C)Cc2c(Cl)cccc2C(=O)[O-])cc1OC ZINC000652373375 975516025 /nfs/dbraw/zinc/51/60/25/975516025.db2.gz XAJWRDOQLJOFAR-UHFFFAOYSA-N -1 0 349.814 3.687 20 0 EHADRM O=C([O-])[C@@H](c1ccccc1)N1CCO[C@H](c2c(F)cccc2Cl)C1 ZINC000652436778 975532114 /nfs/dbraw/zinc/53/21/14/975532114.db2.gz ZHGCLHLFDFIDCH-DOTOQJQBSA-N -1 0 349.789 3.678 20 0 EHADRM CC(C)(C)OC(=O)C1(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000579722402 1014265937 /nfs/dbraw/zinc/26/59/37/1014265937.db2.gz IQZCLTNPSQEUNY-UHFFFAOYSA-N -1 0 346.210 3.759 20 0 EHADRM CC(C)(C)c1csc(CN2CCc3cccc(C(=O)[O-])c3C2)n1 ZINC000652487398 975554184 /nfs/dbraw/zinc/55/41/84/975554184.db2.gz DBXLCOLWIZRNKM-UHFFFAOYSA-N -1 0 330.453 3.697 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)CCCc2cccs2)c2ccccc21 ZINC000653333206 975591046 /nfs/dbraw/zinc/59/10/46/975591046.db2.gz MIFWHACPWUPQJT-CVEARBPZSA-N -1 0 329.421 3.500 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)CCc2cc(Cl)cs2)c2ccccc21 ZINC000653331534 975591150 /nfs/dbraw/zinc/59/11/50/975591150.db2.gz SPFDCMJWHPUDPS-CABCVRRESA-N -1 0 349.839 3.764 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N2CC3(CCCC3)c3ccccc32)c1 ZINC000653643028 975610836 /nfs/dbraw/zinc/61/08/36/975610836.db2.gz SWYODAYIMWCIPF-UHFFFAOYSA-N -1 0 335.403 3.786 20 0 EHADRM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1cccc(CC(=O)[O-])c1 ZINC000653643053 975610998 /nfs/dbraw/zinc/61/09/98/975610998.db2.gz WMNLYDFUVIAGMV-BUXKBTBVSA-N -1 0 341.382 3.506 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)CCc1c(Cl)cccc1Cl ZINC000655556770 975629710 /nfs/dbraw/zinc/62/97/10/975629710.db2.gz YIWZHZNHXYKXRK-LLVKDONJSA-N -1 0 344.238 3.782 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)cc1F ZINC000656474672 975657705 /nfs/dbraw/zinc/65/77/05/975657705.db2.gz FXDBEBMHHVUQLU-BBRMVZONSA-N -1 0 341.329 3.607 20 0 EHADRM CSc1cccc(NC(=O)N2CCC(CCC(=O)[O-])CC2)c1C ZINC000656602928 975663584 /nfs/dbraw/zinc/66/35/84/975663584.db2.gz TUUDPHSKNIQLJS-UHFFFAOYSA-N -1 0 336.457 3.826 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C1[C@@H]2CCCCCC[C@@H]12)c1ccc(F)cc1 ZINC000659118100 975714828 /nfs/dbraw/zinc/71/48/28/975714828.db2.gz UDKOEYJRNAYMLT-OAGGEKHMSA-N -1 0 333.403 3.674 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)NC(C)(C)Cc1ccccc1Cl ZINC000659122545 975721984 /nfs/dbraw/zinc/72/19/84/975721984.db2.gz WPGWNQMASKSDIE-UHFFFAOYSA-N -1 0 335.787 3.691 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)C2CCC3(CC3)CC2)cc1 ZINC000659138052 975738010 /nfs/dbraw/zinc/73/80/10/975738010.db2.gz RCFWPVCLNQBQAW-UHFFFAOYSA-N -1 0 331.412 3.839 20 0 EHADRM O=C([O-])[C@H](CNC(=O)[C@H]1CC[C@H](C2CCC2)CC1)c1ccc(F)cc1 ZINC000659150523 975751522 /nfs/dbraw/zinc/75/15/22/975751522.db2.gz AVOFXZIMIOXGGY-QGPMSJSTSA-N -1 0 347.430 3.717 20 0 EHADRM CC[C@H](CN(CC)C(=O)c1cc(C(=O)[O-])oc1C)c1ccccc1 ZINC000659153185 975754351 /nfs/dbraw/zinc/75/43/51/975754351.db2.gz IQCKWTMIJNXYQX-CQSZACIVSA-N -1 0 329.396 3.942 20 0 EHADRM CC[C@](CNC(=O)[C@@]1(C)CC=C(C)CC1)(C(=O)[O-])c1ccccc1 ZINC000659160207 975759527 /nfs/dbraw/zinc/75/95/27/975759527.db2.gz GXSCCEGUJGDZER-VQTJNVASSA-N -1 0 329.440 3.672 20 0 EHADRM CC1(C)CC[C@@H]1C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000659159951 975759555 /nfs/dbraw/zinc/75/95/55/975759555.db2.gz DYVRCKCZXLMNAD-VXGBXAGGSA-N -1 0 329.318 3.541 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC(c2cccc(F)c2F)CC1 ZINC000659164648 975763053 /nfs/dbraw/zinc/76/30/53/975763053.db2.gz SODHUDMRBZZZGO-UHFFFAOYSA-N -1 0 349.333 3.584 20 0 EHADRM CC(C)Oc1c(NC(=O)NC(C(C)C)C(C)C)cccc1C(=O)[O-] ZINC001591744567 975770491 /nfs/dbraw/zinc/77/04/91/975770491.db2.gz PYPUDCZZVQGHTP-UHFFFAOYSA-N -1 0 336.432 3.974 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCCc2ccc(F)cc2)[C@@H]2CCCC[C@@H]12 ZINC000659189963 975785914 /nfs/dbraw/zinc/78/59/14/975785914.db2.gz ILMLJXHLFHZEEZ-RCCFBDPRSA-N -1 0 347.430 3.640 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000659192063 975789356 /nfs/dbraw/zinc/78/93/56/975789356.db2.gz FBROKOGKTSOVDB-DGADGQDISA-N -1 0 347.480 3.652 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000659195054 975797333 /nfs/dbraw/zinc/79/73/33/975797333.db2.gz OGVRCHNEVDAURH-BVBHFADKSA-N -1 0 343.467 3.981 20 0 EHADRM CC(C)Oc1c(NC(=O)NCC2(CC3CC3)CC2)cccc1C(=O)[O-] ZINC001591747770 975799123 /nfs/dbraw/zinc/79/91/23/975799123.db2.gz ZMSGZLIYCYMFPQ-UHFFFAOYSA-N -1 0 346.427 3.874 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CC/C=C/c2ccccc2)[C@@H]2CCCC[C@H]12 ZINC000659196355 975800954 /nfs/dbraw/zinc/80/09/54/975800954.db2.gz TYQLGDJICWBDMT-LDNIEBFOSA-N -1 0 341.451 3.972 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CC/C=C/c2ccccc2)[C@@H]2CCCC[C@@H]12 ZINC000659196353 975801308 /nfs/dbraw/zinc/80/13/08/975801308.db2.gz TYQLGDJICWBDMT-GJDBJKRPSA-N -1 0 341.451 3.972 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC000659207317 975817354 /nfs/dbraw/zinc/81/73/54/975817354.db2.gz AYMORSGMHSODHW-DOTOQJQBSA-N -1 0 347.455 3.585 20 0 EHADRM CC(C)Oc1cc(F)ccc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001591755215 975817801 /nfs/dbraw/zinc/81/78/01/975817801.db2.gz FLLSLGFISXLBIJ-UHFFFAOYSA-N -1 0 345.370 3.882 20 0 EHADRM Cc1cc2occ(CC(=O)N[C@@](C)(CCF)C(=O)[O-])c2cc1C(C)C ZINC000659211378 975823095 /nfs/dbraw/zinc/82/30/95/975823095.db2.gz CPSMEJPWTSYWRM-IBGZPJMESA-N -1 0 349.402 3.726 20 0 EHADRM C[C@H](CC(=O)N[C@@](C)(CCF)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000659215467 975827861 /nfs/dbraw/zinc/82/78/61/975827861.db2.gz NFMQAOBIWSOGIA-BMIGLBTASA-N -1 0 349.324 3.518 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CC[C@H](C)[C@H](C)C1 ZINC001591763316 975866735 /nfs/dbraw/zinc/86/67/35/975866735.db2.gz NFPYRAXDLWYUBC-QWHCGFSZSA-N -1 0 334.416 3.682 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CC(C(C)(C)C)C1 ZINC001591763408 975869565 /nfs/dbraw/zinc/86/95/65/975869565.db2.gz SRHBLIBNAIVGCX-UHFFFAOYSA-N -1 0 334.416 3.682 20 0 EHADRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)c1ccsc1Cl ZINC000663024924 975919391 /nfs/dbraw/zinc/91/93/91/975919391.db2.gz FXJPRKQOZPNZLC-LBPRGKRZSA-N -1 0 337.828 3.607 20 0 EHADRM Cc1ccc(C(=O)NC2(CC(=O)[O-])CCCCC2)c(F)c1Cl ZINC000663119243 975923825 /nfs/dbraw/zinc/92/38/25/975923825.db2.gz HDKWHZNCRZWZPJ-UHFFFAOYSA-N -1 0 327.783 3.695 20 0 EHADRM CC(C)Oc1ccc(N(C)C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC001591778065 975936191 /nfs/dbraw/zinc/93/61/91/975936191.db2.gz LLUJULVWHPATAT-UHFFFAOYSA-N -1 0 346.358 3.979 20 0 EHADRM CC(C)Oc1ccc(NC(=O)/C=C\c2ccccc2)c(C(=O)[O-])c1 ZINC001591779741 975941599 /nfs/dbraw/zinc/94/15/99/975941599.db2.gz ALOILLZINOLJMV-FLIBITNWSA-N -1 0 325.364 3.824 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@H](C)OC2CCCCC2)c(C(=O)[O-])c1 ZINC001591779777 975941767 /nfs/dbraw/zinc/94/17/67/975941767.db2.gz AXDBIOTUWXLUPC-ZDUSSCGKSA-N -1 0 349.427 3.848 20 0 EHADRM C[C@@H](C(=O)NC(C)(C)CCC(=O)[O-])c1c(Cl)cccc1Cl ZINC000666364096 975960412 /nfs/dbraw/zinc/96/04/12/975960412.db2.gz MJFVJDIAGPLBSE-SECBINFHSA-N -1 0 332.227 3.857 20 0 EHADRM CC(C)C[C@@H](NC(=O)NCCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000666530805 975965633 /nfs/dbraw/zinc/96/56/33/975965633.db2.gz BOMNNJSGWJEONF-OAHLLOKOSA-N -1 0 340.851 3.981 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)c(C(=O)[O-])c1 ZINC001591787961 975966134 /nfs/dbraw/zinc/96/61/34/975966134.db2.gz ILBUISTUJDTCEQ-CVEARBPZSA-N -1 0 339.391 3.914 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)Cc1cccc(C2CC2)c1)c1ccc(F)cc1 ZINC000668267280 975977827 /nfs/dbraw/zinc/97/78/27/975977827.db2.gz JHXKMDSBVMZZFT-GOSISDBHSA-N -1 0 341.382 3.578 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Cc1cccc(C2CC2)c1)c1cccs1 ZINC000668267403 975978259 /nfs/dbraw/zinc/97/82/59/975978259.db2.gz MYFZGKMGKGOXGI-HNNXBMFYSA-N -1 0 329.421 3.500 20 0 EHADRM CC[C@H](C)[C@@H](OC)C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000668288281 975986755 /nfs/dbraw/zinc/98/67/55/975986755.db2.gz UZWDFMYEUSWAIV-SOVGHPHASA-N -1 0 343.423 3.533 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])s1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000668323766 975997674 /nfs/dbraw/zinc/99/76/74/975997674.db2.gz ABSDIPPVNMNJQR-DTORHVGOSA-N -1 0 335.347 3.639 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)c2coc(C3CCCC3)n2)c2ccccc21 ZINC000669434362 976000408 /nfs/dbraw/zinc/00/04/08/976000408.db2.gz PVWRVKBIBAHPBX-AWEZNQCLSA-N -1 0 340.379 3.551 20 0 EHADRM Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000676025609 976028548 /nfs/dbraw/zinc/02/85/48/976028548.db2.gz QOHAPJTWNHIMCJ-UHFFFAOYSA-N -1 0 329.400 3.514 20 0 EHADRM Cc1ccc(Nc2nc(F)ccc2Br)cc1C(=O)[O-] ZINC001211597300 1030705580 /nfs/dbraw/zinc/70/55/80/1030705580.db2.gz XNGZUWCUYXTUMD-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM Cc1cc(C)cc(C2(C(=O)N3CCC[C@H](C(C)(C)C(=O)[O-])C3)CC2)c1 ZINC000679103207 976044705 /nfs/dbraw/zinc/04/47/05/976044705.db2.gz BCYZPMKKKCSWCD-INIZCTEOSA-N -1 0 343.467 3.684 20 0 EHADRM CC(C)Sc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)cc1 ZINC001591828422 976086305 /nfs/dbraw/zinc/08/63/05/976086305.db2.gz PPKCJFLHWKAELG-KSSFIOAISA-N -1 0 333.453 3.514 20 0 EHADRM O=C([O-])c1ccoc1CSc1ccccc1C(=O)N1CC=CCC1 ZINC000683333010 976089388 /nfs/dbraw/zinc/08/93/88/976089388.db2.gz AHLNFODCCGNQEL-UHFFFAOYSA-N -1 0 343.404 3.672 20 0 EHADRM CC(C)c1[nH]c(CN2CCOC[C@H]2c2ccc(F)cc2)cc1C(=O)[O-] ZINC001591912825 976352824 /nfs/dbraw/zinc/35/28/24/976352824.db2.gz SKQHSRHLDGPGLL-KRWDZBQOSA-N -1 0 346.402 3.549 20 0 EHADRM CC(C)c1cc(C(=O)N2C3CCC2(C(=O)[O-])CC3)c2ccccc2n1 ZINC001591925820 976411142 /nfs/dbraw/zinc/41/11/42/976411142.db2.gz IVWVQTDZRSBHBN-UHFFFAOYSA-N -1 0 338.407 3.580 20 0 EHADRM CC(C)c1cc(C(=O)Nc2cc(F)cc(Cl)c2C(=O)[O-])no1 ZINC001591930798 976426738 /nfs/dbraw/zinc/42/67/38/976426738.db2.gz IRJAZKYPVYMJEX-UHFFFAOYSA-N -1 0 326.711 3.541 20 0 EHADRM CC(C)c1cc(NC(=O)CCc2ccc(C(=O)[O-])cc2)ccc1O ZINC001591934800 976445124 /nfs/dbraw/zinc/44/51/24/976445124.db2.gz GHIMXNCYMYYVFD-UHFFFAOYSA-N -1 0 327.380 3.785 20 0 EHADRM CC(C)c1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)c(O)c1 ZINC001591942130 976465309 /nfs/dbraw/zinc/46/53/09/976465309.db2.gz MBQGPLBPQCRQQB-YQQAZPJKSA-N -1 0 345.439 3.621 20 0 EHADRM CC(C)c1ccc(-c2noc(COc3cccnc3C(=O)[O-])n2)cc1 ZINC001591943492 976479209 /nfs/dbraw/zinc/47/92/09/976479209.db2.gz LYYAJIXFGGROEV-UHFFFAOYSA-N -1 0 339.351 3.532 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)NCCSCCC(=O)[O-])cc1 ZINC001591947533 976492301 /nfs/dbraw/zinc/49/23/01/976492301.db2.gz NLLOOAPWTMTHEW-CQSZACIVSA-N -1 0 337.485 3.628 20 0 EHADRM CC(C)c1ccc(C2(C(=O)N3CC[C@H](C(=O)[O-])[C@H]3C)CCC2)cc1 ZINC001591949331 976507015 /nfs/dbraw/zinc/50/70/15/976507015.db2.gz VACMLMWEEXZAFE-PBHICJAKSA-N -1 0 329.440 3.553 20 0 EHADRM CC(C)c1ccc(CCCNC(=O)Nc2cccc(C(=O)[O-])n2)cc1 ZINC001591952481 976511201 /nfs/dbraw/zinc/51/12/01/976511201.db2.gz HNHJFDNXKKCMAR-UHFFFAOYSA-N -1 0 341.411 3.658 20 0 EHADRM CC(C)c1ccc(CN(C)C(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC001591953880 976519994 /nfs/dbraw/zinc/51/99/94/976519994.db2.gz FRMLIFXQPPTIEX-UHFFFAOYSA-N -1 0 329.371 3.920 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)NC[C@H](CC(=O)[O-])C1CC1)CC2 ZINC001591974303 976587480 /nfs/dbraw/zinc/58/74/80/976587480.db2.gz RWOMELUKDXICQW-WMZOPIPTSA-N -1 0 344.455 3.597 20 0 EHADRM CC(C)c1ccccc1NC(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001591997985 976644080 /nfs/dbraw/zinc/64/40/80/976644080.db2.gz IAFMWZXJLDGCSI-UHFFFAOYSA-N -1 0 326.396 3.759 20 0 EHADRM CC(C)c1ccccc1NC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC001591998064 976645528 /nfs/dbraw/zinc/64/55/28/976645528.db2.gz MCBACJSXIQXJET-VYDXJSESSA-N -1 0 330.428 3.917 20 0 EHADRM CC(C)c1ccccc1OCC(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001591998755 976646748 /nfs/dbraw/zinc/64/67/48/976646748.db2.gz UJRNHZKNFIJOFM-FQEVSTJZSA-N -1 0 347.455 3.729 20 0 EHADRM CC(C)c1nnc(NCc2ccc(C(=O)[O-])cc2C(F)(F)F)o1 ZINC001592075323 976822784 /nfs/dbraw/zinc/82/27/84/976822784.db2.gz DGZLUEIDKJRPEZ-UHFFFAOYSA-N -1 0 329.278 3.522 20 0 EHADRM CC(C)c1noc(CSCCOc2ccc(/C=C\C(=O)[O-])cc2)n1 ZINC001592095037 976852685 /nfs/dbraw/zinc/85/26/85/976852685.db2.gz CKEPUEOBIYWCIE-YVMONPNESA-N -1 0 348.424 3.603 20 0 EHADRM CC(C)c1sc(NC(=O)c2ccc3ncccc3c2)nc1C(=O)[O-] ZINC001592115165 976911921 /nfs/dbraw/zinc/91/19/21/976911921.db2.gz SDHLXRRJMDRWRG-UHFFFAOYSA-N -1 0 341.392 3.765 20 0 EHADRM CC(C)n1cc(Cl)c(NC(=O)c2cc(C(=O)[O-])ccc2Cl)n1 ZINC001592131200 976963563 /nfs/dbraw/zinc/96/35/63/976963563.db2.gz BMVHNWQTUUOIOT-UHFFFAOYSA-N -1 0 342.182 3.721 20 0 EHADRM CC(C)n1ncc(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)c1Cl ZINC001592153719 977029288 /nfs/dbraw/zinc/02/92/88/977029288.db2.gz QZQAKISQMSWECM-UHFFFAOYSA-N -1 0 342.182 3.721 20 0 EHADRM C[C@H](CC(=O)N[C@@H](C(=O)[O-])c1cccs1)c1c[nH]c2ccccc21 ZINC001592240013 977451148 /nfs/dbraw/zinc/45/11/48/977451148.db2.gz JVKHGJLJWFQPOO-PIGZYNQJSA-N -1 0 342.420 3.665 20 0 EHADRM C[C@H](CC(=O)N[C@@H](C)[C@@H](Cc1ccccc1)C(=O)[O-])CC(C)(C)C ZINC001592243017 977465288 /nfs/dbraw/zinc/46/52/88/977465288.db2.gz RKRXMMSRLAAACC-HLLBOEOZSA-N -1 0 333.472 3.897 20 0 EHADRM C[C@H](CC(=O)N[C@@](C)(Cc1ccc(F)cc1)C(=O)[O-])C1CCCCC1 ZINC001592243647 977468835 /nfs/dbraw/zinc/46/88/35/977468835.db2.gz ZDKSEKUDRPOCIJ-VLIAUNLRSA-N -1 0 349.446 3.934 20 0 EHADRM CSc1cc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])ccc1Cl ZINC000666114421 1032091559 /nfs/dbraw/zinc/09/15/59/1032091559.db2.gz XBTUOMXFJSBQNI-WDEREUQCSA-N -1 0 325.817 3.667 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC001592351214 977822666 /nfs/dbraw/zinc/82/26/66/977822666.db2.gz FBLFQXOTVXKFEZ-JTQLQIEISA-N -1 0 344.238 3.642 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC001592396610 977960463 /nfs/dbraw/zinc/96/04/63/977960463.db2.gz XWRSCTWCNFWTJL-VIFPVBQESA-N -1 0 338.816 3.903 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)O[C@@H](C)c1cccc(Br)c1 ZINC001592403020 977971545 /nfs/dbraw/zinc/97/15/45/977971545.db2.gz SGQIKIUWLVBGQR-ZJUUUORDSA-N -1 0 329.190 3.554 20 0 EHADRM C[C@H](CC(=O)[O-])SCCOc1ccccc1C(=O)OC(C)(C)C ZINC001592422489 978036714 /nfs/dbraw/zinc/03/67/14/978036714.db2.gz RORTXGIWEFJFRR-GFCCVEGCSA-N -1 0 340.441 3.617 20 0 EHADRM C[C@H](CC(=O)O[C@@H]1CCCC[C@H]1C(=O)[O-])c1c[nH]c2ccccc21 ZINC001592430254 978062277 /nfs/dbraw/zinc/06/22/77/978062277.db2.gz WXJWBDASZWKQAN-SUYBPPKGSA-N -1 0 329.396 3.848 20 0 EHADRM C[C@@H](CCC(=O)Nc1cc2c(cc1C(=O)[O-])OCO2)c1ccccc1 ZINC001592469826 978214211 /nfs/dbraw/zinc/21/42/11/978214211.db2.gz AYFZIKPCEUCQPJ-LBPRGKRZSA-N -1 0 341.363 3.636 20 0 EHADRM C[C@@H](CCC1CCCCC1)NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001592476656 978236508 /nfs/dbraw/zinc/23/65/08/978236508.db2.gz BCPKAJAQKRXWGP-AWEZNQCLSA-N -1 0 332.444 3.933 20 0 EHADRM CCC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000736969429 978369870 /nfs/dbraw/zinc/36/98/70/978369870.db2.gz GHFPRZIFPZGJEX-GOSISDBHSA-N -1 0 340.423 3.847 20 0 EHADRM O=C([O-])[C@@H](CC(=O)NCc1ccc(C2CCC2)cc1)c1ccccc1 ZINC000683140463 1014484305 /nfs/dbraw/zinc/48/43/05/1014484305.db2.gz ZJUWTKYPDDFSKG-IBGZPJMESA-N -1 0 337.419 3.829 20 0 EHADRM C[C@H](CCSc1ccccc1)OC(=O)c1cncc(C(=O)[O-])c1 ZINC001592538228 978414228 /nfs/dbraw/zinc/41/42/28/978414228.db2.gz SEFLZCVBTSZBOP-GFCCVEGCSA-N -1 0 331.393 3.508 20 0 EHADRM C[C@H](CCc1ccc(F)cc1)c1nc(-c2cc(C(=O)[O-])co2)no1 ZINC001592539976 978420865 /nfs/dbraw/zinc/42/08/65/978420865.db2.gz MXIABLLEFRLVQZ-SNVBAGLBSA-N -1 0 330.315 3.903 20 0 EHADRM C[C@@H](CN(C(=O)c1ccc(-c2cccc(F)c2)s1)C1CC1)C(=O)[O-] ZINC001592562645 978450724 /nfs/dbraw/zinc/45/07/24/978450724.db2.gz FDIOSOPWIAGAKI-NSHDSACASA-N -1 0 347.411 3.880 20 0 EHADRM C[C@@H](CN(C(=O)c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)C(=O)[O-] ZINC001592562715 978451269 /nfs/dbraw/zinc/45/12/69/978451269.db2.gz IRRWHDXIBSWEKM-QMMMGPOBSA-N -1 0 349.736 3.684 20 0 EHADRM C[C@H](CN(C(=O)c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)C(=O)[O-] ZINC001592562714 978451343 /nfs/dbraw/zinc/45/13/43/978451343.db2.gz IRRWHDXIBSWEKM-MRVPVSSYSA-N -1 0 349.736 3.684 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OC(=O)[C@H]1CCSc2ccccc21 ZINC000738541364 978553295 /nfs/dbraw/zinc/55/32/95/978553295.db2.gz RMMRMXYZYOEOPN-AWEZNQCLSA-N -1 0 328.389 3.878 20 0 EHADRM COc1cccc2cc(CN[C@H](C(=O)[O-])c3cc(C)cc(C)c3)oc21 ZINC000756387758 978700220 /nfs/dbraw/zinc/70/02/20/978700220.db2.gz LXHKVDLWWKCXRW-SFHVURJKSA-N -1 0 339.391 3.974 20 0 EHADRM C[C@H](C(=O)[O-])N(C)C(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000769532740 978741610 /nfs/dbraw/zinc/74/16/10/978741610.db2.gz JCKRTGJNCXWWPU-LLVKDONJSA-N -1 0 340.404 3.508 20 0 EHADRM Cc1ccc(F)c(OCC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000776640963 978764489 /nfs/dbraw/zinc/76/44/89/978764489.db2.gz MGXCQTJYGQXSHL-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM CCCCSCCC(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000776677578 978769191 /nfs/dbraw/zinc/76/91/91/978769191.db2.gz MHNYLGWCAXFAPT-AWEZNQCLSA-N -1 0 343.876 3.895 20 0 EHADRM CC(C)(CNC(=O)c1cc(C(=O)[O-])ccc1Cl)c1cccc(F)c1 ZINC000811819774 978863873 /nfs/dbraw/zinc/86/38/73/978863873.db2.gz WILVAIQNDQHJQY-UHFFFAOYSA-N -1 0 349.789 3.885 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)NCCCc2cccc(F)c2)c1 ZINC000811820322 978864955 /nfs/dbraw/zinc/86/49/55/978864955.db2.gz VQHBXMDELPQNQJ-UHFFFAOYSA-N -1 0 335.762 3.540 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCCC[C@H]2/C=C\c2ccccc2)C1 ZINC000827939226 978967537 /nfs/dbraw/zinc/96/75/37/978967537.db2.gz WLJGKRXIXSRIBW-KXNCBIOMSA-N -1 0 341.451 3.972 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CCCC(=O)c1c(C)cc(C)cc1C ZINC000828623370 978986371 /nfs/dbraw/zinc/98/63/71/978986371.db2.gz OFTWGQLMZIMXAH-FQEVSTJZSA-N -1 0 347.455 3.724 20 0 EHADRM Cc1cc(NC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cnc1Cl ZINC000832895773 979053530 /nfs/dbraw/zinc/05/35/30/979053530.db2.gz QOJJPOLOFOHDLV-FZMZJTMJSA-N -1 0 347.802 3.627 20 0 EHADRM Cc1ccc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1F ZINC000832910917 979054835 /nfs/dbraw/zinc/05/48/35/979054835.db2.gz BYBNAHNTJMLKHH-MRXNPFEDSA-N -1 0 329.371 3.716 20 0 EHADRM CC[C@H](C)n1c(SCC2(C(=O)[O-])CC2)nnc1-c1ccccc1 ZINC001595022538 979107966 /nfs/dbraw/zinc/10/79/66/979107966.db2.gz MHDJUBNWKJSPMA-LBPRGKRZSA-N -1 0 331.441 3.873 20 0 EHADRM CC[C@@H](C)n1nc(NC(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1C ZINC001595023860 979119497 /nfs/dbraw/zinc/11/94/97/979119497.db2.gz LIFKPKJYSQFTQD-LLVKDONJSA-N -1 0 330.388 3.813 20 0 EHADRM CC[C@H](CC(F)(F)F)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001595038230 979207744 /nfs/dbraw/zinc/20/77/44/979207744.db2.gz DEKMXAQRZLFQBS-MRVPVSSYSA-N -1 0 328.290 3.783 20 0 EHADRM CC[C@@H](CC(F)F)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001595042440 979234356 /nfs/dbraw/zinc/23/43/56/979234356.db2.gz MDSWHMDPCJFPEC-NSHDSACASA-N -1 0 331.384 3.624 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1nc(-c2ccccc2)cs1 ZINC000836716269 979247776 /nfs/dbraw/zinc/24/77/76/979247776.db2.gz HVUTTZFJAPNZDB-UHFFFAOYSA-N -1 0 332.425 3.575 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccccc1SCc1ccco1 ZINC000836757486 979265815 /nfs/dbraw/zinc/26/58/15/979265815.db2.gz IWVCZTRGFRHMHZ-OCCSQVGLSA-N -1 0 345.420 3.507 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1ccc(OC(C)C)c(C)c1 ZINC001595050193 979277355 /nfs/dbraw/zinc/27/73/55/979277355.db2.gz MPSMHQPMMDGWGH-UHFFFAOYSA-N -1 0 336.432 3.937 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000840943601 979280905 /nfs/dbraw/zinc/28/09/05/979280905.db2.gz HBCIHRIGDUIJKI-CHWSQXEVSA-N -1 0 329.371 3.831 20 0 EHADRM COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000840943792 979281918 /nfs/dbraw/zinc/28/19/18/979281918.db2.gz NSRKUAFZVUOUBE-OAUYIBNBSA-N -1 0 339.391 3.626 20 0 EHADRM CCC(CC)(CNC(=O)c1cc(C(=O)[O-])oc1C)c1ccc(F)cc1 ZINC001595073246 979346889 /nfs/dbraw/zinc/34/68/89/979346889.db2.gz RWKSIAODJYJDBP-UHFFFAOYSA-N -1 0 347.386 3.913 20 0 EHADRM C[C@@H](CNC(=O)Nc1cc(F)c(SC(C)(C)C)c(F)c1)C(=O)[O-] ZINC000846798221 979466652 /nfs/dbraw/zinc/46/66/52/979466652.db2.gz OSTWGMXEJKRGBL-QMMMGPOBSA-N -1 0 346.399 3.698 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2ccsc2C(=O)[O-])cc1 ZINC000849173196 979485444 /nfs/dbraw/zinc/48/54/44/979485444.db2.gz PAJDLZDMGGIMDH-AAEUAGOBSA-N -1 0 331.393 3.587 20 0 EHADRM CC(C)[C@@H](c1ccccc1)N(C)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851594171 979505575 /nfs/dbraw/zinc/50/55/75/979505575.db2.gz GXKHDDFMKYOFCM-ANGAQGJPSA-N -1 0 327.380 3.847 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N2CCCC3(C2)CCCCCC3)o1 ZINC000851595032 979507187 /nfs/dbraw/zinc/50/71/87/979507187.db2.gz FYEPPZKJBJLOPT-VQHVLOKHSA-N -1 0 331.412 3.954 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N2CCCCCc3ccccc32)o1 ZINC000851595661 979509026 /nfs/dbraw/zinc/50/90/26/979509026.db2.gz PHRNXNRVMZGAKK-BENRWUELSA-N -1 0 325.364 3.751 20 0 EHADRM CCC(CC)n1nccc1C(=O)NC[C@H](C(=O)[O-])C1CCCCCC1 ZINC001595125989 979514242 /nfs/dbraw/zinc/51/42/42/979514242.db2.gz DCBLSJRVEAAXPN-INIZCTEOSA-N -1 0 349.475 3.645 20 0 EHADRM C[C@@H](CSC(F)(F)F)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001592825179 979540601 /nfs/dbraw/zinc/54/06/01/979540601.db2.gz PUTWXXYIQOEFRY-LURJTMIESA-N -1 0 341.738 3.866 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N(Cc2ccccc2F)CC2CC2)o1 ZINC000851618680 979544728 /nfs/dbraw/zinc/54/47/28/979544728.db2.gz RYDSBNUBWFXWJK-CSKARUKUSA-N -1 0 343.354 3.569 20 0 EHADRM CC(C)c1ccc(C[C@@H](C)NC(=O)NC[C@@H](CC(=O)[O-])C2CC2)cc1 ZINC001592834661 979578259 /nfs/dbraw/zinc/57/82/59/979578259.db2.gz UGEWDRAJBQBRJN-RDTXWAMCSA-N -1 0 346.471 3.541 20 0 EHADRM C[C@@](Cc1ccc(F)cc1)(NC(=O)C1CCCCCCC1)C(=O)[O-] ZINC001592845499 979615021 /nfs/dbraw/zinc/61/50/21/979615021.db2.gz BYKCGHYHKAYECZ-IBGZPJMESA-N -1 0 335.419 3.688 20 0 EHADRM CC[C@H](CNC(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccccc1 ZINC001595153060 979650074 /nfs/dbraw/zinc/65/00/74/979650074.db2.gz SORKLEPNXNFGCD-GFCCVEGCSA-N -1 0 330.359 3.839 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)Cc2cncc3ccccc32)cc1)C(=O)[O-] ZINC001592858169 979669985 /nfs/dbraw/zinc/66/99/85/979669985.db2.gz DIVHNVUZISWJCE-CQSZACIVSA-N -1 0 348.402 3.679 20 0 EHADRM O=C([O-])CC1CCN(C(=O)/C=C/c2ccc(F)c3ccccc23)CC1 ZINC000864100633 979683458 /nfs/dbraw/zinc/68/34/58/979683458.db2.gz UEVPNEQMTQDEFT-SOFGYWHQSA-N -1 0 341.382 3.705 20 0 EHADRM CC[C@](CNC(=O)c1cc2ccccc2o1)(C(=O)[O-])c1ccccc1 ZINC001595160302 979684603 /nfs/dbraw/zinc/68/46/03/979684603.db2.gz HGYFEWVMUKXWRX-HXUWFJFHSA-N -1 0 337.375 3.595 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)/C=C\c2ccc(C(=O)[O-])o2)c1 ZINC000864102825 979687973 /nfs/dbraw/zinc/68/79/73/979687973.db2.gz ACLMBYKOMAVSDQ-YHWKNFMLSA-N -1 0 325.364 3.663 20 0 EHADRM Cc1ccc(C(=O)NCc2ccccc2COC(C)C)cc1C(=O)[O-] ZINC000864103890 979690268 /nfs/dbraw/zinc/69/02/68/979690268.db2.gz UDYIBLHPUGAOLE-UHFFFAOYSA-N -1 0 341.407 3.548 20 0 EHADRM CCN(C(=O)c1ccc(C)c(C(=O)[O-])c1)[C@@H](C)c1cccc(OC)c1 ZINC000864104966 979691071 /nfs/dbraw/zinc/69/10/71/979691071.db2.gz XMMFLHAOOWAVEX-AWEZNQCLSA-N -1 0 341.407 3.925 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N2CC[C@H]3CCCC[C@@H]3C2)cc1)C(=O)[O-] ZINC001592860536 979691397 /nfs/dbraw/zinc/69/13/97/979691397.db2.gz JHSLMXKIUXIMSE-DJIMGWMZSA-N -1 0 344.455 3.994 20 0 EHADRM CC[C@@H](CNC(=O)c1ccccc1Sc1ccccc1)C(=O)[O-] ZINC001595163406 979695760 /nfs/dbraw/zinc/69/57/60/979695760.db2.gz OJSPYBBXIUUEBP-ZDUSSCGKSA-N -1 0 329.421 3.678 20 0 EHADRM CC[C@@H](CNC(=O)c1csc(-c2ccc(Cl)cc2)c1)C(=O)[O-] ZINC001595163862 979703169 /nfs/dbraw/zinc/70/31/69/979703169.db2.gz YPROFUBJMBCLBG-JTQLQIEISA-N -1 0 337.828 3.909 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N2CCC(C3CCC3)CC2)cc1)C(=O)[O-] ZINC001592861847 979703277 /nfs/dbraw/zinc/70/32/77/979703277.db2.gz YLYRTNNPBYGURA-AWEZNQCLSA-N -1 0 344.455 3.994 20 0 EHADRM CC[C@@H](CNC(=O)c1ccc(Oc2cccc(Cl)c2)cc1)C(=O)[O-] ZINC001595163959 979704373 /nfs/dbraw/zinc/70/43/73/979704373.db2.gz FRSONJXYCCWXQG-LBPRGKRZSA-N -1 0 347.798 3.973 20 0 EHADRM CC[C@H](CNC(=O)c1ccc(Oc2cccc(Cl)c2)cc1)C(=O)[O-] ZINC001595163958 979704541 /nfs/dbraw/zinc/70/45/41/979704541.db2.gz FRSONJXYCCWXQG-GFCCVEGCSA-N -1 0 347.798 3.973 20 0 EHADRM CCC[C@H](C(=O)NC(C)(C)CCC(=O)[O-])c1cccc(Cl)c1 ZINC000864116203 979708338 /nfs/dbraw/zinc/70/83/38/979708338.db2.gz NFDYTZQNYSOHCZ-AWEZNQCLSA-N -1 0 325.836 3.983 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N[C@H]2CC23CCCCC3)cc1)C(=O)[O-] ZINC001592868303 979719036 /nfs/dbraw/zinc/71/90/36/979719036.db2.gz XNSNGAQXOVXJLQ-CJNGLKHVSA-N -1 0 330.428 3.794 20 0 EHADRM Cc1cc(C(=O)N2CCC(CCc3ccccc3)CC2)oc1C(=O)[O-] ZINC000864125253 979725214 /nfs/dbraw/zinc/72/52/14/979725214.db2.gz PZAINVQMWSVFIB-UHFFFAOYSA-N -1 0 341.407 3.771 20 0 EHADRM Cc1ccc(C)c([C@@H]2CCCN2C(=O)/C=C/c2cc(C(=O)[O-])co2)c1 ZINC000864130013 979731477 /nfs/dbraw/zinc/73/14/77/979731477.db2.gz QLBGDGZCKROUMY-DVBCCOPCSA-N -1 0 339.391 3.972 20 0 EHADRM CC(C)(CC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccc(F)cc1 ZINC000864132024 979733718 /nfs/dbraw/zinc/73/37/18/979733718.db2.gz ICXNSJMVCGTVDZ-CQSZACIVSA-N -1 0 335.419 3.597 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2cccc(Cl)c2F)cc1)C(=O)[O-] ZINC001592873188 979734725 /nfs/dbraw/zinc/73/47/25/979734725.db2.gz RMRSYTRYIUUVPK-SNVBAGLBSA-N -1 0 335.762 3.995 20 0 EHADRM CC1(C(=O)Nc2cccc(CCC(=O)[O-])c2)CCC(F)(F)CC1 ZINC000864134869 979736707 /nfs/dbraw/zinc/73/67/07/979736707.db2.gz DNKGIOFTRLMCHH-UHFFFAOYSA-N -1 0 325.355 3.858 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)Nc2cc(F)cc(F)c2)cc1)C(=O)[O-] ZINC001592873875 979738267 /nfs/dbraw/zinc/73/82/67/979738267.db2.gz WDZRTQISRYKJQJ-SNVBAGLBSA-N -1 0 334.322 3.872 20 0 EHADRM C[C@H](Cc1ccc(NC[C@@H](O)Cc2cccc(Cl)c2)cc1)C(=O)[O-] ZINC001592877041 979743355 /nfs/dbraw/zinc/74/33/55/979743355.db2.gz HOYHDCOYFWTASB-ACJLOTCBSA-N -1 0 347.842 3.619 20 0 EHADRM CC[C@@](CNc1cc(Cl)nc(C2CC2)n1)(C(=O)[O-])c1ccccc1 ZINC001595172773 979746071 /nfs/dbraw/zinc/74/60/71/979746071.db2.gz ORELTAVAMXCZAO-SFHVURJKSA-N -1 0 345.830 3.852 20 0 EHADRM Cc1ccc(C(=O)N2CCC(c3ccsc3)CC2)cc1C(=O)[O-] ZINC000864143271 979747958 /nfs/dbraw/zinc/74/79/58/979747958.db2.gz HLQRGAYQQNPWMA-UHFFFAOYSA-N -1 0 329.421 3.775 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)N(C1CC1)C1(C(=O)[O-])CCC1 ZINC001592890218 979776218 /nfs/dbraw/zinc/77/62/18/979776218.db2.gz DILYVHLGDDPZSH-LBPRGKRZSA-N -1 0 335.831 3.517 20 0 EHADRM O=C([O-])C1=CC[C@@H](NC(=O)CCCSc2ccc(Cl)cc2)C1 ZINC000864163034 979782180 /nfs/dbraw/zinc/78/21/80/979782180.db2.gz QJQKIKYQYLRHLH-CYBMUJFWSA-N -1 0 339.844 3.502 20 0 EHADRM C[C@@H](Cc1ccccc1)n1cccc1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001592892337 979790921 /nfs/dbraw/zinc/79/09/21/979790921.db2.gz VPDBLWXEGMKHFL-AWEZNQCLSA-N -1 0 349.390 3.637 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001592892293 979791071 /nfs/dbraw/zinc/79/10/71/979791071.db2.gz ZJMAFGPBMVVDOT-SNVBAGLBSA-N -1 0 335.762 3.995 20 0 EHADRM CCCC[C@](C)(F)C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC000864170384 979797918 /nfs/dbraw/zinc/79/79/18/979797918.db2.gz DOVZUBPMZWRMLF-QFYYESIMSA-N -1 0 329.343 3.535 20 0 EHADRM C[C@@H](Cc1ccco1)C(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)F ZINC001592899201 979813212 /nfs/dbraw/zinc/81/32/12/979813212.db2.gz DNSASFZMSUXWJT-IINYFYTJSA-N -1 0 338.306 3.706 20 0 EHADRM CC[C@H](NC(=O)c1ccc(/C=C\C(=O)[O-])o1)c1cc(C)ccc1C ZINC000864175865 979816965 /nfs/dbraw/zinc/81/69/65/979816965.db2.gz SSLHUVMIGOIELI-YHWKNFMLSA-N -1 0 327.380 3.875 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3c(cccc3F)s2)[C@@H]2CCC[C@@H]21 ZINC000864175928 979817240 /nfs/dbraw/zinc/81/72/40/979817240.db2.gz ODWAPHAZZWIKCZ-JTNHKYCSSA-N -1 0 347.411 3.756 20 0 EHADRM C[C@H](Cc1cncc2ccccc21)C(=O)O[C@@H](CC(C)(C)C)C(=O)[O-] ZINC001592909073 979870668 /nfs/dbraw/zinc/87/06/68/979870668.db2.gz OVXPTVZIZAXMON-DYVFJYSZSA-N -1 0 343.423 3.846 20 0 EHADRM C[C@H](Cc1cncc2ccccc21)C(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC001592909288 979872507 /nfs/dbraw/zinc/87/25/07/979872507.db2.gz SUXMZXYOYNFHKL-KUHUBIRLSA-N -1 0 349.386 3.783 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)c1cc2c(ccc3ccccc23)o1)C1CC1 ZINC000864201825 979880137 /nfs/dbraw/zinc/88/01/37/979880137.db2.gz ZGDIFOFUOMNXOZ-FQEVSTJZSA-N -1 0 337.375 3.959 20 0 EHADRM CC1(C)[C@H](c2ccccc2F)CCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000864216763 979905360 /nfs/dbraw/zinc/90/53/60/979905360.db2.gz HXTJARHWUKTOOF-LBPRGKRZSA-N -1 0 347.411 3.994 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCC(Cc2ccc(Cl)cc2)CC1 ZINC000864217060 979906043 /nfs/dbraw/zinc/90/60/43/979906043.db2.gz LMQRUTHCMBHVGL-CYBMUJFWSA-N -1 0 337.847 3.622 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)C[C@@H](C)c2ccccc2F)c1 ZINC000864228725 979921610 /nfs/dbraw/zinc/92/16/10/979921610.db2.gz FWXUYGZTFNARFM-RDTXWAMCSA-N -1 0 343.398 3.960 20 0 EHADRM CCCOc1ccc(NC(=O)NC2CCC(C(=O)[O-])CC2)cc1C ZINC000864604986 979948972 /nfs/dbraw/zinc/94/89/72/979948972.db2.gz LLWOAHAOKSXHAZ-UHFFFAOYSA-N -1 0 334.416 3.549 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001595210514 979984008 /nfs/dbraw/zinc/98/40/08/979984008.db2.gz HZWUBRFANYHGCA-QGZVFWFLSA-N -1 0 325.408 3.578 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)NCc1ccccc1CC(=O)[O-] ZINC001595210509 979984107 /nfs/dbraw/zinc/98/41/07/979984107.db2.gz HULQBBUEGYFAAA-QGZVFWFLSA-N -1 0 339.435 3.507 20 0 EHADRM CO[C@@H]1CC[C@@H](C)N(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000872160260 980046354 /nfs/dbraw/zinc/04/63/54/980046354.db2.gz BZAJVCSFAWCHGU-MLGOLLRUSA-N -1 0 346.452 3.508 20 0 EHADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CCCCC[C@H]2c2ccccc2)O1 ZINC000872716213 980095170 /nfs/dbraw/zinc/09/51/70/980095170.db2.gz NFRFAUAGKLDKNL-OKZBNKHCSA-N -1 0 345.439 3.543 20 0 EHADRM O=C([O-])CCCC(=O)N(CC1CC1)c1cccc(C(F)(F)F)c1 ZINC000872994951 980161964 /nfs/dbraw/zinc/16/19/64/980161964.db2.gz VRVRVDXZSLJYBD-UHFFFAOYSA-N -1 0 329.318 3.703 20 0 EHADRM C[C@H](NC(=O)C(C)(C)CC(C)(C)C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001592989895 980175875 /nfs/dbraw/zinc/17/58/75/980175875.db2.gz LDYVSAXPFSEMEG-HOCLYGCPSA-N -1 0 333.472 3.897 20 0 EHADRM CC[C@H](NC(=O)Nc1cc(C(=O)[O-])c(C)cc1C)c1ccncc1 ZINC001595251428 980211684 /nfs/dbraw/zinc/21/16/84/980211684.db2.gz AMZOTUUDYHKXBK-HNNXBMFYSA-N -1 0 327.384 3.669 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC=CCCC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593002673 980216392 /nfs/dbraw/zinc/21/63/92/980216392.db2.gz KOVAILHQQPLLOW-CGTJXYLNSA-N -1 0 329.440 3.571 20 0 EHADRM CC[C@@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001595253676 980234387 /nfs/dbraw/zinc/23/43/87/980234387.db2.gz XCYQUUYUZOWFJR-MRXNPFEDSA-N -1 0 346.814 3.989 20 0 EHADRM Cc1nc(CN[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)sc1C ZINC000900029737 980237285 /nfs/dbraw/zinc/23/72/85/980237285.db2.gz YOEXAWRRFXINEO-CYBMUJFWSA-N -1 0 344.358 3.694 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1)C1CCCCC1 ZINC001593010355 980242195 /nfs/dbraw/zinc/24/21/95/980242195.db2.gz FSVGIHHIFIHYLQ-GJZGRUSLSA-N -1 0 347.455 3.934 20 0 EHADRM C[C@@H](Nc1ncc(C(=O)[O-])cc1Cl)c1cnn(CC2CCC2)c1 ZINC000900987187 980257626 /nfs/dbraw/zinc/25/76/26/980257626.db2.gz LWSSMHLMZXFLTR-SNVBAGLBSA-N -1 0 334.807 3.603 20 0 EHADRM CC[C@H](NC(=O)c1cccc(OCC(=O)[O-])c1)c1cc(C)ccc1C ZINC001595271020 980288376 /nfs/dbraw/zinc/28/83/76/980288376.db2.gz WAVBEPQIPUQMIV-SFHVURJKSA-N -1 0 341.407 3.648 20 0 EHADRM Cn1cnc(-c2cccc(N[C@@H]3CCC[C@H](CCCC(=O)[O-])C3)c2)n1 ZINC000901441181 980289257 /nfs/dbraw/zinc/28/92/57/980289257.db2.gz FWGPIRWLACONAA-GDBMZVCRSA-N -1 0 342.443 3.708 20 0 EHADRM COC[C@@H](Cc1ccccc1)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000901511820 980328742 /nfs/dbraw/zinc/32/87/42/980328742.db2.gz BYCWYKXRYNRUCG-GOSISDBHSA-N -1 0 327.424 3.718 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(N[C@@H]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000901513624 980330516 /nfs/dbraw/zinc/33/05/16/980330516.db2.gz OXBRUSGLZUBAQI-CHWSQXEVSA-N -1 0 331.334 3.571 20 0 EHADRM O=C([O-])[C@@H](NCc1nc2c(s1)CCC2)c1ccc2ccccc2c1 ZINC000901516638 980333883 /nfs/dbraw/zinc/33/38/83/980333883.db2.gz QERZOECAGKVPRL-SFHVURJKSA-N -1 0 338.432 3.701 20 0 EHADRM C[C@H](NC(=O)N(C)CCC1CCCCC1)c1ncc(C(=O)[O-])s1 ZINC001593050561 980342267 /nfs/dbraw/zinc/34/22/67/980342267.db2.gz MQUCJUWKZOKJEM-NSHDSACASA-N -1 0 339.461 3.514 20 0 EHADRM CC[C@@](NCc1noc2c1CCCC2)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595304876 980441178 /nfs/dbraw/zinc/44/11/78/980441178.db2.gz ATGXZMZGVXMUFB-SFHVURJKSA-N -1 0 348.830 3.687 20 0 EHADRM CCC(CC)(CNC(=O)c1cc2ccnc(Cl)c2s1)C(=O)[O-] ZINC000901692579 980453014 /nfs/dbraw/zinc/45/30/14/980453014.db2.gz NHFRBWCBKFVUCI-UHFFFAOYSA-N -1 0 340.832 3.571 20 0 EHADRM CC[C@@H](Nc1cccc([C@H]2CNC(=O)C2)c1)c1ccc(C(=O)[O-])cc1 ZINC001595318585 980501725 /nfs/dbraw/zinc/50/17/25/980501725.db2.gz OVAZIQIDFRRASH-SJLPKXTDSA-N -1 0 338.407 3.552 20 0 EHADRM CC[C@H](Nc1ccc2c(c1)N(C)CCO2)c1ccc(C(=O)[O-])cc1 ZINC001595318686 980502730 /nfs/dbraw/zinc/50/27/30/980502730.db2.gz PIDKXJCWKJLVPY-INIZCTEOSA-N -1 0 326.396 3.777 20 0 EHADRM COCCOCc1ccc(CNc2cccc([C@@H](C)C(=O)[O-])c2)cc1 ZINC000901816304 980537582 /nfs/dbraw/zinc/53/75/82/980537582.db2.gz NOCJAUGZFOKFIF-OAHLLOKOSA-N -1 0 343.423 3.650 20 0 EHADRM O=C([O-])[C@@H](C[C@H]1CCCc2ccccc21)NCc1cc(C2CC2)no1 ZINC000901842898 980563746 /nfs/dbraw/zinc/56/37/46/980563746.db2.gz MTQDSFCNOVQAGW-DNVCBOLYSA-N -1 0 340.423 3.605 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC)C(=O)Cc1ccccc1C(=O)[O-] ZINC000901860049 980580076 /nfs/dbraw/zinc/58/00/76/980580076.db2.gz YPLFIROFMCCOQE-SFHVURJKSA-N -1 0 325.408 3.927 20 0 EHADRM CC[C@@H](OC(=O)/C=C/c1cc(C(=O)[O-])co1)c1cccc(OC)c1 ZINC001595336253 980592612 /nfs/dbraw/zinc/59/26/12/980592612.db2.gz IMAULKAWGHOBMC-KXPUMZMLSA-N -1 0 330.336 3.694 20 0 EHADRM CC[C@H](OC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1cc(C)ccc1OC ZINC001595336672 980595328 /nfs/dbraw/zinc/59/53/28/980595328.db2.gz NUTHOMBZTZZMCR-YCPHGPKFSA-N -1 0 334.412 3.889 20 0 EHADRM CC[C@@H](OC(=O)CCc1nc(C)c(-c2ccccc2)o1)[C@H](C)C(=O)[O-] ZINC001595340162 980616907 /nfs/dbraw/zinc/61/69/07/980616907.db2.gz KZTYKHHMZUIWTC-SWLSCSKDSA-N -1 0 345.395 3.625 20 0 EHADRM CC[C@@H](OC(=O)c1cccc(CC(=O)[O-])c1)c1ccc(F)cc1F ZINC001595352177 980665919 /nfs/dbraw/zinc/66/59/19/980665919.db2.gz UGEWKWVFSNZPFB-MRXNPFEDSA-N -1 0 334.318 3.900 20 0 EHADRM CC[C@H](OC(=O)c1ccc(Oc2ccccc2F)nc1)[C@H](C)C(=O)[O-] ZINC001595352281 980667440 /nfs/dbraw/zinc/66/74/40/980667440.db2.gz VZDUOAIRKLJJDD-FZMZJTMJSA-N -1 0 347.342 3.669 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-] ZINC001595354600 980693928 /nfs/dbraw/zinc/69/39/28/980693928.db2.gz AATRZNPFRKZFNL-SPCJURDBSA-N -1 0 339.476 3.510 20 0 EHADRM CC[C@H](OCCOC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccccc1 ZINC001595357043 980718548 /nfs/dbraw/zinc/71/85/48/980718548.db2.gz UCKLZUQXBWAJNS-ULQDDVLXSA-N -1 0 334.412 3.589 20 0 EHADRM CC(C)CC(=O)Nc1ccc(NCc2ccc(/C=C\C(=O)[O-])o2)cc1 ZINC000902098860 980732770 /nfs/dbraw/zinc/73/27/70/980732770.db2.gz MAYNJBICKKZWCO-KTKRTIGZSA-N -1 0 342.395 3.974 20 0 EHADRM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001595359662 980743877 /nfs/dbraw/zinc/74/38/77/980743877.db2.gz GUOLBQKXDNJGEP-HNNXBMFYSA-N -1 0 344.411 3.562 20 0 EHADRM CC[C@@H](c1ccccc1)[C@H]1CCCN1c1nc(C)cc(C(=O)[O-])n1 ZINC001595360384 980751302 /nfs/dbraw/zinc/75/13/02/980751302.db2.gz VWUBDVSYDCZRLZ-DOTOQJQBSA-N -1 0 325.412 3.646 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)Cc1cccc(F)c1F ZINC001595361409 980761886 /nfs/dbraw/zinc/76/18/86/980761886.db2.gz HQLGVGYARDCDOU-INIZCTEOSA-N -1 0 347.361 3.572 20 0 EHADRM CCc1oc(CNC2(c3nc(C)cs3)CCCC2)cc1C(=O)[O-] ZINC000902254385 980800161 /nfs/dbraw/zinc/80/01/61/980800161.db2.gz GFOFZDBIQXNINO-UHFFFAOYSA-N -1 0 334.441 3.864 20 0 EHADRM Cc1cc(CN[C@@H](C)c2ccc(C(F)(F)F)nc2)oc1C(=O)[O-] ZINC000902262497 980806591 /nfs/dbraw/zinc/80/65/91/980806591.db2.gz CMPNWQVDQVMWSV-VIFPVBQESA-N -1 0 328.290 3.551 20 0 EHADRM CC[C@]1(C)CCCN(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)C1 ZINC001595369028 980833624 /nfs/dbraw/zinc/83/36/24/980833624.db2.gz QEZKJHWYLYARIA-GOSISDBHSA-N -1 0 329.400 3.910 20 0 EHADRM CCC1(C)CCN(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)CC1 ZINC001595370997 980846198 /nfs/dbraw/zinc/84/61/98/980846198.db2.gz LUTQGGNCRNKDEY-CQSZACIVSA-N -1 0 332.444 3.994 20 0 EHADRM CC[C@@]1(C)CCN(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)C1 ZINC001595371053 980847109 /nfs/dbraw/zinc/84/71/09/980847109.db2.gz NGMMHIUGLVRQNM-HNNXBMFYSA-N -1 0 328.771 3.831 20 0 EHADRM CCc1oc(CN[C@H](COC)c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000902365631 980855109 /nfs/dbraw/zinc/85/51/09/980855109.db2.gz CZNSZGWUEIMAJV-OAHLLOKOSA-N -1 0 337.803 3.671 20 0 EHADRM Cc1oc(CN[C@H]2CC(C)(C)Oc3ccc(F)cc32)cc1C(=O)[O-] ZINC000902470057 980902011 /nfs/dbraw/zinc/90/20/11/980902011.db2.gz FRCMPNMEQKSPIJ-HNNXBMFYSA-N -1 0 333.359 3.817 20 0 EHADRM CC[C@@]1(CCc2ccccc2)CCCN1c1cncc(C(=O)[O-])n1 ZINC001595376629 980907291 /nfs/dbraw/zinc/90/72/91/980907291.db2.gz FQFPBPGAJDKVCT-IBGZPJMESA-N -1 0 325.412 3.557 20 0 EHADRM Cc1c(C(=O)Nc2cc(F)cc(Cl)c2[O-])cnn1CC(C)C ZINC000274726345 1014695444 /nfs/dbraw/zinc/69/54/44/1014695444.db2.gz SYIYTQZJJVJHHF-UHFFFAOYSA-N -1 0 325.771 3.598 20 0 EHADRM CC[C@@H]1C[C@H](CC(=O)N2CCCc3ccc(C)c(C(=O)[O-])c32)CCO1 ZINC001595409323 981006950 /nfs/dbraw/zinc/00/69/50/981006950.db2.gz WDRCEKLBEWGPCT-GDBMZVCRSA-N -1 0 345.439 3.568 20 0 EHADRM CC[C@@H]1C[C@@H](CC(=O)N2CCCc3ccc(C)c(C(=O)[O-])c32)CCO1 ZINC001595409324 981007443 /nfs/dbraw/zinc/00/74/43/981007443.db2.gz WDRCEKLBEWGPCT-GOEBONIOSA-N -1 0 345.439 3.568 20 0 EHADRM CC[C@@H]1C[C@H](CC(=O)Nc2cccc(C(=O)[O-])c2Cl)CCO1 ZINC001595413897 981018386 /nfs/dbraw/zinc/01/83/86/981018386.db2.gz UTPZTCOXOUPPRD-GHMZBOCLSA-N -1 0 325.792 3.572 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)NC1(C(=O)[O-])CCC(CC)CC1 ZINC001595420529 981036429 /nfs/dbraw/zinc/03/64/29/981036429.db2.gz QSLNUSXWFVHYCF-RCDNUKIMSA-N -1 0 339.476 3.654 20 0 EHADRM CCC1CCC(NC(=O)[C@@H]2[C@H](C)[C@@H]2c2ccccc2)(C(=O)[O-])CC1 ZINC001595420649 981037291 /nfs/dbraw/zinc/03/72/91/981037291.db2.gz WCZYLMQPZSFRNL-FNDPLGQXSA-N -1 0 329.440 3.576 20 0 EHADRM CCC1CCC(NC(=O)/C(C)=C/c2ccc(C)cc2)(C(=O)[O-])CC1 ZINC001595420768 981038225 /nfs/dbraw/zinc/03/82/25/981038225.db2.gz ZENHCYZJXGJUMU-FYWRMAATSA-N -1 0 329.440 3.938 20 0 EHADRM CC[C@@H]1CCC[C@@H]1C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC001595435081 981062036 /nfs/dbraw/zinc/06/20/36/981062036.db2.gz GADUJSPWSCNQIN-KGLIPLIRSA-N -1 0 339.382 3.594 20 0 EHADRM CC[C@@H]1CCC[C@H]1C(=O)N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001595436732 981070880 /nfs/dbraw/zinc/07/08/80/981070880.db2.gz VBNXNHDQITVDDC-HONMWMINSA-N -1 0 343.345 3.774 20 0 EHADRM CC[C@H]1CCCC[C@@H]1CNC(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001595441802 981080469 /nfs/dbraw/zinc/08/04/69/981080469.db2.gz UEQCAIFGNXETBY-GOEBONIOSA-N -1 0 344.455 3.669 20 0 EHADRM CC[C@H]1CCCC[C@H]1NC(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001595444224 981087197 /nfs/dbraw/zinc/08/71/97/981087197.db2.gz KZZJQYUMOVQCNU-GXSJLCMTSA-N -1 0 325.796 3.524 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001595444350 981087382 /nfs/dbraw/zinc/08/73/82/981087382.db2.gz NOGXOWHYULNCLW-ABAIWWIYSA-N -1 0 329.400 3.956 20 0 EHADRM CC[C@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001595444541 981089064 /nfs/dbraw/zinc/08/90/64/981089064.db2.gz QTTDPVGYYSNVPV-XJKSGUPXSA-N -1 0 347.459 3.883 20 0 EHADRM CC[C@H]1CCCC[C@H]1OCC(=O)N1CCCc2ccc(C(=O)[O-])cc21 ZINC001595446988 981094340 /nfs/dbraw/zinc/09/43/40/981094340.db2.gz DRISXCGBBQHENM-KBXCAEBGSA-N -1 0 345.439 3.649 20 0 EHADRM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc(C)c(C)c1C(=O)[O-] ZINC001595448463 981098993 /nfs/dbraw/zinc/09/89/93/981098993.db2.gz QTPAJMZGJLAQKZ-GDBMZVCRSA-N -1 0 333.428 3.926 20 0 EHADRM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001595449043 981101622 /nfs/dbraw/zinc/10/16/22/981101622.db2.gz YVSMCFPXXXZAMN-SWLSCSKDSA-N -1 0 337.391 3.756 20 0 EHADRM CC[C@@H]1CCCCN1C(=O)[C@@H](C)SCc1ccccc1C(=O)[O-] ZINC001595451318 981107229 /nfs/dbraw/zinc/10/72/29/981107229.db2.gz NUCQCTOBLGYBQQ-UKRRQHHQSA-N -1 0 335.469 3.798 20 0 EHADRM CC[C@@H]1CCCCN1C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001595451961 981110916 /nfs/dbraw/zinc/11/09/16/981110916.db2.gz WFOJEYDVSKOCLC-SNVBAGLBSA-N -1 0 328.771 3.974 20 0 EHADRM CC[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001595452715 981115665 /nfs/dbraw/zinc/11/56/65/981115665.db2.gz JABHVUWHWCQXLP-OCCSQVGLSA-N -1 0 334.416 3.872 20 0 EHADRM C[C@H]1CC2(CC(Nc3ccc(N4CCCCC4)c(C(=O)[O-])c3)C2)CO1 ZINC000905718438 981121766 /nfs/dbraw/zinc/12/17/66/981121766.db2.gz KIHCUJLEEWLJQI-GPWPYBQESA-N -1 0 344.455 3.745 20 0 EHADRM CC[C@H]1CCC[C@H]1NC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001595459238 981137141 /nfs/dbraw/zinc/13/71/41/981137141.db2.gz XYUGOTSXRQCHTR-BLLLJJGKSA-N -1 0 344.411 3.551 20 0 EHADRM CC1(CCC(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)CC1 ZINC000907645068 981204132 /nfs/dbraw/zinc/20/41/32/981204132.db2.gz RLVASCOMVYZYTK-LSDHHAIUSA-N -1 0 335.831 3.547 20 0 EHADRM Cc1oc(C(C)(C)C)cc1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000907767848 981217107 /nfs/dbraw/zinc/21/71/07/981217107.db2.gz SBHOVCWWZLKCNA-UHFFFAOYSA-N -1 0 336.413 3.612 20 0 EHADRM CC1=C(C)C[C@](C)(C(=O)N2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)CC1 ZINC000907788179 981219699 /nfs/dbraw/zinc/21/96/99/981219699.db2.gz GWEMCRYWXVKINT-FZKQIMNGSA-N -1 0 348.468 3.684 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC000908053890 981257569 /nfs/dbraw/zinc/25/75/69/981257569.db2.gz CKAJAEVNVMGPLR-UHFFFAOYSA-N -1 0 344.436 3.650 20 0 EHADRM CC[C@@H]1c2ccccc2CN1C(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC000908181979 981280630 /nfs/dbraw/zinc/28/06/30/981280630.db2.gz USYKGYCZJVLSDL-UEXGIBASSA-N -1 0 335.403 3.738 20 0 EHADRM CSc1ccc(C)c(C(=O)N[C@@H](CC(=O)[O-])Cc2ccccc2)c1 ZINC000908228094 981284336 /nfs/dbraw/zinc/28/43/36/981284336.db2.gz WUCOLGLDCGUDSY-OAHLLOKOSA-N -1 0 343.448 3.533 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1cccc(C(F)F)c1)CC1CCCC1 ZINC000908289383 981297091 /nfs/dbraw/zinc/29/70/91/981297091.db2.gz ICAJFEOSVTZHKR-AWEZNQCLSA-N -1 0 325.355 3.635 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)c2ccc(C(F)F)cc2)CCC1 ZINC000908334654 981300915 /nfs/dbraw/zinc/30/09/15/981300915.db2.gz PHXDADSMCWHZOQ-UHFFFAOYSA-N -1 0 325.355 3.779 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)CCC1 ZINC000908340573 981305485 /nfs/dbraw/zinc/30/54/85/981305485.db2.gz DHZKMBKSJWVPEZ-STQMWFEESA-N -1 0 349.393 3.897 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)C2(c3ccccc3)CCC2)CCC1 ZINC000908344108 981305769 /nfs/dbraw/zinc/30/57/69/981305769.db2.gz RYNBXUVCQSBYOC-UHFFFAOYSA-N -1 0 329.440 3.650 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)c2csc(-c3ccoc3)n2)CCC1 ZINC000908343457 981306076 /nfs/dbraw/zinc/30/60/76/981306076.db2.gz XPGLIENWUNJNQD-UHFFFAOYSA-N -1 0 348.424 3.558 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1Cl ZINC000908652888 981334527 /nfs/dbraw/zinc/33/45/27/981334527.db2.gz BORAUAZMPUSUJU-CQSZACIVSA-N -1 0 349.858 3.964 20 0 EHADRM CCCC(=CC(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1)CCC ZINC001595520116 981335179 /nfs/dbraw/zinc/33/51/79/981335179.db2.gz BTKPMXQCZDBAHP-FQEVSTJZSA-N -1 0 329.440 3.768 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000908709715 981344213 /nfs/dbraw/zinc/34/42/13/981344213.db2.gz SHEKXOCRMADCDD-UHFFFAOYSA-N -1 0 341.329 3.987 20 0 EHADRM CCCC(=CC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F)CCC ZINC001595522881 981345691 /nfs/dbraw/zinc/34/56/91/981345691.db2.gz WQCXKNZWENLJKE-INIZCTEOSA-N -1 0 325.355 3.733 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000908769749 981358450 /nfs/dbraw/zinc/35/84/50/981358450.db2.gz WLKLLKDHJQEXGB-SFHVURJKSA-N -1 0 345.370 3.707 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc(SC(F)F)c1 ZINC000908774075 981360711 /nfs/dbraw/zinc/36/07/11/981360711.db2.gz RTVZHVZAJYALEP-NWDGAFQWSA-N -1 0 329.368 3.831 20 0 EHADRM CC(C)(CNC(=O)c1ccccc1CCC(=O)[O-])c1cccc(F)c1 ZINC000908818026 981368261 /nfs/dbraw/zinc/36/82/61/981368261.db2.gz SWKYESVZQHDVST-UHFFFAOYSA-N -1 0 343.398 3.551 20 0 EHADRM CCCC(C)(C)CC(=O)N1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001595537936 981389769 /nfs/dbraw/zinc/38/97/69/981389769.db2.gz DKTYEGMBXDQWEI-LBPRGKRZSA-N -1 0 338.473 3.764 20 0 EHADRM Cc1nc(-c2ccccc2C)sc1C(=O)N(CCC(=O)[O-])C(C)C ZINC000908962637 981392350 /nfs/dbraw/zinc/39/23/50/981392350.db2.gz NKHPALSCVBOCGN-UHFFFAOYSA-N -1 0 346.452 3.752 20 0 EHADRM CCC[C@@H](C(=O)Nc1cc(C(=O)[O-])c[nH]c1=O)c1ccc(Cl)cc1 ZINC001595538885 981395194 /nfs/dbraw/zinc/39/51/94/981395194.db2.gz XFBPTZMEKAMSDQ-CYBMUJFWSA-N -1 0 348.786 3.661 20 0 EHADRM CN(C(=O)c1coc(C2CCCCC2)n1)[C@H](C(=O)[O-])c1ccccc1 ZINC000909000886 981398192 /nfs/dbraw/zinc/39/81/92/981398192.db2.gz QOUKAEUCWYXLIM-INIZCTEOSA-N -1 0 342.395 3.620 20 0 EHADRM Cc1nc(C(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)c(C)o1 ZINC000909004632 981400972 /nfs/dbraw/zinc/40/09/72/981400972.db2.gz AVYCOPJVFUGKFI-OAHLLOKOSA-N -1 0 344.411 3.535 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)[C@H]2CCCCS2)c1 ZINC000909224128 981435425 /nfs/dbraw/zinc/43/54/25/981435425.db2.gz DRWRPCVYMZVPKQ-CQSZACIVSA-N -1 0 339.482 3.619 20 0 EHADRM Cc1cc(C)c(CC(=O)Nc2cccc(CSCC(=O)[O-])c2)s1 ZINC000909222841 981435539 /nfs/dbraw/zinc/43/55/39/981435539.db2.gz JRYFHQCRLWYODY-UHFFFAOYSA-N -1 0 349.477 3.864 20 0 EHADRM CCCc1[nH]ccc1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000909226176 981437200 /nfs/dbraw/zinc/43/72/00/981437200.db2.gz FXPZKVLFQOFTNG-UHFFFAOYSA-N -1 0 346.452 3.927 20 0 EHADRM Cc1ccc([C@H](CNC(=O)c2cscc2C(F)F)C(=O)[O-])cc1 ZINC000909251313 981444906 /nfs/dbraw/zinc/44/49/06/981444906.db2.gz FVTLXDWCFBPBIB-NSHDSACASA-N -1 0 339.363 3.592 20 0 EHADRM O=C([O-])C12CCC(C(=O)NCc3ccc4ccccc4c3)(CC1)CC2 ZINC000909401561 981484492 /nfs/dbraw/zinc/48/44/92/981484492.db2.gz PEEWRPWHJKUNJD-UHFFFAOYSA-N -1 0 337.419 3.881 20 0 EHADRM CC(C)Oc1ccc(NC(=O)c2ccccc2CCC(=O)[O-])c(F)c1 ZINC000909405173 981486205 /nfs/dbraw/zinc/48/62/05/981486205.db2.gz AOUMUUYSIDYBJO-UHFFFAOYSA-N -1 0 345.370 3.882 20 0 EHADRM CC(C)C[C@H]1CCCCN1C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC000909412314 981487472 /nfs/dbraw/zinc/48/74/72/981487472.db2.gz AQYQBHXQQUXYOR-CQSZACIVSA-N -1 0 342.439 3.836 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1CCC[C@H]1c1ccccc1)CC2 ZINC000909450831 981494840 /nfs/dbraw/zinc/49/48/40/981494840.db2.gz OQYVRNOHHDUHIJ-VQTJNVASSA-N -1 0 349.430 3.853 20 0 EHADRM C[C@@H](CN(C(=O)c1ccc([C@H](C)C(F)(F)F)cc1)C1CC1)C(=O)[O-] ZINC000909455652 981497747 /nfs/dbraw/zinc/49/77/47/981497747.db2.gz ZHFDOENVUQBUNM-QWRGUYRKSA-N -1 0 343.345 3.678 20 0 EHADRM CCC[C@H](CC(C)C)C(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001595586045 981528694 /nfs/dbraw/zinc/52/86/94/981528694.db2.gz NHDXNYYSVZNPQX-GBRKPNRJSA-N -1 0 341.517 3.694 20 0 EHADRM CCC[C@H](CC(C)C)C(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2 ZINC001595586116 981529348 /nfs/dbraw/zinc/52/93/48/981529348.db2.gz PHFGWZJQGBKDFG-NEPJUHHUSA-N -1 0 338.473 3.734 20 0 EHADRM CCCCn1cc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c(C)n1 ZINC000909524134 981529941 /nfs/dbraw/zinc/52/99/41/981529941.db2.gz RLGILLVYXKNSGH-CYBMUJFWSA-N -1 0 343.427 3.507 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])[NH2+]Cc2ccc(Cl)c(C)c2)cc1 ZINC000683174527 1014742083 /nfs/dbraw/zinc/74/20/83/1014742083.db2.gz OZWYZBBXMOAFSV-KRWDZBQOSA-N -1 0 333.815 3.963 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)Nc1ccc(Br)cc1C(C)C ZINC000909555291 981540279 /nfs/dbraw/zinc/54/02/79/981540279.db2.gz NHEDWWOFBNGVES-JTQLQIEISA-N -1 0 328.206 3.622 20 0 EHADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C1(Cc2cccs2)CCCCC1 ZINC000909802613 981632684 /nfs/dbraw/zinc/63/26/84/981632684.db2.gz CQJLTZYKPKCPPR-ZFWWWQNUSA-N -1 0 335.469 3.563 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N[C@@H](CCc1ccccc1)c1ccccc1 ZINC001594746747 981635037 /nfs/dbraw/zinc/63/50/37/981635037.db2.gz BEEUNMCBAYTWNJ-ROUUACIJSA-N -1 0 325.408 3.588 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)NCc1ccc(C)cc1O[C@H](C)CC(C)C ZINC001594756072 981671682 /nfs/dbraw/zinc/67/16/82/981671682.db2.gz DTYDZWNHGBBKTR-ZBFHGGJFSA-N -1 0 335.444 3.535 20 0 EHADRM CCC[C@@H]1[C@H](C)CCCN1C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001595620227 981686964 /nfs/dbraw/zinc/68/69/64/981686964.db2.gz ZXUMCOQPDCQELX-RHSMWYFYSA-N -1 0 342.439 3.767 20 0 EHADRM CCC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001595621235 981698151 /nfs/dbraw/zinc/69/81/51/981698151.db2.gz DZZBOOSVFGWCHP-FZMZJTMJSA-N -1 0 344.415 3.742 20 0 EHADRM CCC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001595621462 981700464 /nfs/dbraw/zinc/70/04/64/981700464.db2.gz IQHGEELLHOHYSS-IUODEOHRSA-N -1 0 334.416 3.874 20 0 EHADRM CCC[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001595621837 981703789 /nfs/dbraw/zinc/70/37/89/981703789.db2.gz POAKTOLFAZCXNE-BZUAXINKSA-N -1 0 338.492 3.878 20 0 EHADRM Cc1cccc(C)c1[C@@H]1CCCN1C(=O)c1ccoc1CC(=O)[O-] ZINC000909932888 981704680 /nfs/dbraw/zinc/70/46/80/981704680.db2.gz SIAFUOREBKGYQF-HNNXBMFYSA-N -1 0 327.380 3.501 20 0 EHADRM CCC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC001595622650 981712819 /nfs/dbraw/zinc/71/28/19/981712819.db2.gz UZOJLCVJHBEZMQ-YPMHNXCESA-N -1 0 339.819 3.958 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3occc3s2)[C@@H]2CCCC[C@H]12 ZINC000909961636 981715151 /nfs/dbraw/zinc/71/51/51/981715151.db2.gz UXJIBKLAODYDAO-IJLUTSLNSA-N -1 0 333.409 3.600 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)Cc1cccc2ncccc12)c1ccccc1 ZINC001594768214 981728730 /nfs/dbraw/zinc/72/87/30/981728730.db2.gz QNMJMAPQYVRQHK-IBGZPJMESA-N -1 0 348.402 3.674 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)CC[C@H]1CCc3ccccc31)C2 ZINC000910068840 981751367 /nfs/dbraw/zinc/75/13/67/981751367.db2.gz KIUVDHYTPIKMKV-MRXNPFEDSA-N -1 0 349.430 3.780 20 0 EHADRM C[C@H](NC(=O)c1cccc(C2CCC2)c1)c1ncc(C(=O)[O-])s1 ZINC000910152762 981766551 /nfs/dbraw/zinc/76/65/51/981766551.db2.gz NVQZFXPSTJNAMS-JTQLQIEISA-N -1 0 330.409 3.600 20 0 EHADRM CCCC[C@@H](C(=O)N[C@](C)(CC(=O)[O-])c1cccc(OC)c1)C(C)C ZINC001595627755 981775606 /nfs/dbraw/zinc/77/56/06/981775606.db2.gz RXJSUVBEBBQFKA-YLJYHZDGSA-N -1 0 349.471 3.964 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)Cc1ccccc1OC(C)C ZINC001594780722 981785133 /nfs/dbraw/zinc/78/51/33/981785133.db2.gz HTVLFTKAIWJHJV-HXUWFJFHSA-N -1 0 347.455 3.508 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)CCOc1ccc(C)cc1C ZINC001594783083 981793602 /nfs/dbraw/zinc/79/36/02/981793602.db2.gz UXIATBIDXAGJGB-HXUWFJFHSA-N -1 0 347.455 3.564 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3ccc(F)cc3s2)[C@H]2CCC[C@@H]21 ZINC000910242737 981811140 /nfs/dbraw/zinc/81/11/40/981811140.db2.gz WNYWSDWQJNETRP-MCIONIFRSA-N -1 0 347.411 3.756 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cscc1C(F)(F)F ZINC001594786730 981814542 /nfs/dbraw/zinc/81/45/42/981814542.db2.gz ZSFNSNIOVMYKAR-AWEZNQCLSA-N -1 0 349.374 3.872 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N[C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000910254035 981830392 /nfs/dbraw/zinc/83/03/92/981830392.db2.gz QPAQUWNCTRTNHC-CABCVRRESA-N -1 0 341.407 3.554 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)NCC1(C(F)(F)F)CCCC1 ZINC000910254596 981831748 /nfs/dbraw/zinc/83/17/48/981831748.db2.gz IYINCTMGYUZJBP-UHFFFAOYSA-N -1 0 343.345 3.556 20 0 EHADRM O=C([O-])c1ccc(C(F)(F)F)nc1N1CCC[C@H]1c1cccnc1 ZINC000910276704 981837488 /nfs/dbraw/zinc/83/74/88/981837488.db2.gz IELHWMPVVPLNDU-LBPRGKRZSA-N -1 0 337.301 3.535 20 0 EHADRM Cc1nc(NC[C@@H]2CCCO[C@@H]2c2ccccc2)ccc1C(=O)[O-] ZINC000910290471 981845224 /nfs/dbraw/zinc/84/52/24/981845224.db2.gz OVRUYFDYNYVPDO-MAUKXSAKSA-N -1 0 326.396 3.668 20 0 EHADRM CCCC[C@H](CC)C(=O)N[C@@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC001595631955 981847098 /nfs/dbraw/zinc/84/70/98/981847098.db2.gz LOZCTXUTDXBKHV-XHDPSFHLSA-N -1 0 341.835 3.807 20 0 EHADRM CC(C)(CC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)CC(F)F ZINC000910295117 981847749 /nfs/dbraw/zinc/84/77/49/981847749.db2.gz CKQGKILWRTXJCZ-QWHCGFSZSA-N -1 0 325.355 3.885 20 0 EHADRM CCCC[C@H](CC)CNC(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001595632174 981850407 /nfs/dbraw/zinc/85/04/07/981850407.db2.gz BRRVNBIJAZCDQR-JTQLQIEISA-N -1 0 327.812 3.771 20 0 EHADRM CCCC[C@H](CC)CC(=O)Nc1cc(C(=O)[O-])ccc1C(=O)OC ZINC001595632512 981856545 /nfs/dbraw/zinc/85/65/45/981856545.db2.gz HPRSIHSFHOWTRE-LBPRGKRZSA-N -1 0 335.400 3.716 20 0 EHADRM C[C@H](C(=O)N[C@](C)(CC(=O)[O-])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000910313590 981868414 /nfs/dbraw/zinc/86/84/14/981868414.db2.gz KWGQZINXAZFLLV-MGPLVRAMSA-N -1 0 343.345 3.569 20 0 EHADRM CCC(CC)(CNC(=O)c1ccccc1CCC(=O)[O-])C(F)(F)F ZINC000910336001 981877644 /nfs/dbraw/zinc/87/76/44/981877644.db2.gz CDPRUEUXUXYJTN-UHFFFAOYSA-N -1 0 345.361 3.802 20 0 EHADRM CCC(C)(C)C1CCC2(C[C@H]2C(=O)NCc2nc(C(=O)[O-])co2)CC1 ZINC001594797139 981885382 /nfs/dbraw/zinc/88/53/82/981885382.db2.gz VPUJOUKBSJFTDB-MLZJXEJWSA-N -1 0 348.443 3.622 20 0 EHADRM CCn1nc(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)cc1C1CC1 ZINC000910359809 981889652 /nfs/dbraw/zinc/88/96/52/981889652.db2.gz KSOYLWXWIYFPAE-UHFFFAOYSA-N -1 0 349.390 3.884 20 0 EHADRM CCC(C)(C)OCC(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1 ZINC001594808470 981918576 /nfs/dbraw/zinc/91/85/76/981918576.db2.gz KPBMKEMJVBBCPW-UHFFFAOYSA-N -1 0 340.445 3.643 20 0 EHADRM CCCC[C@@H](NC(=O)c1ccc([C@H](C)C(F)(F)F)cc1)C(=O)[O-] ZINC001595636625 981919956 /nfs/dbraw/zinc/91/99/56/981919956.db2.gz GOATUMJTORPGLU-GXFFZTMASA-N -1 0 331.334 3.726 20 0 EHADRM CCC(C)(C)[C@@H]1CCc2nc(NC(=O)[C@@H](C)CC(=O)[O-])sc2C1 ZINC001594808887 981922517 /nfs/dbraw/zinc/92/25/17/981922517.db2.gz RCZCCXDEVLMMDD-WDEREUQCSA-N -1 0 338.473 3.734 20 0 EHADRM CCC(C)(C)c1ccc(C(=O)N(C2CC2)C2(C(=O)[O-])CCC2)cc1 ZINC001594814384 981938120 /nfs/dbraw/zinc/93/81/20/981938120.db2.gz LAPAUARGZNZKIL-UHFFFAOYSA-N -1 0 329.440 3.986 20 0 EHADRM CCC(C)(C)OCc1ccccc1NC(=O)c1cncc(C(=O)[O-])c1 ZINC001594814382 981938342 /nfs/dbraw/zinc/93/83/42/981938342.db2.gz KZXPSOLGFWOMFO-UHFFFAOYSA-N -1 0 342.395 3.737 20 0 EHADRM CCC(C)(C)c1ccc(NC(=O)NCc2ccoc2C(=O)[O-])cc1 ZINC001594815774 981946103 /nfs/dbraw/zinc/94/61/03/981946103.db2.gz NRWWUDGIUZMRNA-UHFFFAOYSA-N -1 0 330.384 3.987 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1nc2ccccc2s1 ZINC000910503985 981970052 /nfs/dbraw/zinc/97/00/52/981970052.db2.gz LBGMVCJTHNUDDT-UHFFFAOYSA-N -1 0 334.441 3.505 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1cscc1C(F)F ZINC000910505061 981971264 /nfs/dbraw/zinc/97/12/64/981971264.db2.gz VUEBYPRUEOHYSS-UHFFFAOYSA-N -1 0 333.400 3.895 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(Oc2ncccc2C)cc1 ZINC001594822497 981975608 /nfs/dbraw/zinc/97/56/08/981975608.db2.gz ZWKRTEZADZPUHI-LJQANCHMSA-N -1 0 342.395 3.556 20 0 EHADRM CCCC[C@@H](OC(=O)c1cccc(Oc2nccs2)c1)C(=O)[O-] ZINC001595645075 981984603 /nfs/dbraw/zinc/98/46/03/981984603.db2.gz MYJBETIJDMSNBT-CYBMUJFWSA-N -1 0 335.381 3.736 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000910622912 982031233 /nfs/dbraw/zinc/03/12/33/982031233.db2.gz YUZMEULFISRYNC-GJZGRUSLSA-N -1 0 343.354 3.665 20 0 EHADRM CCc1c(NC(=O)c2cc(C(=O)[O-])ccc2Cl)cnn1CC(C)C ZINC000910649772 982041732 /nfs/dbraw/zinc/04/17/32/982041732.db2.gz YRGZACAAPONRSK-UHFFFAOYSA-N -1 0 349.818 3.705 20 0 EHADRM CCc1c(NC(=O)c2ccc(C(=O)[O-])cc2F)cnn1CCC(C)C ZINC000910655929 982043841 /nfs/dbraw/zinc/04/38/41/982043841.db2.gz KXXVEUZLUHFBGG-UHFFFAOYSA-N -1 0 347.390 3.581 20 0 EHADRM Cn1cc(NC(=O)CC2(CC(=O)[O-])CCCC2)c(C2CCCCC2)n1 ZINC000910662328 982046491 /nfs/dbraw/zinc/04/64/91/982046491.db2.gz IUBGWVRWZDALSC-UHFFFAOYSA-N -1 0 347.459 3.832 20 0 EHADRM CCCC[C@H](SC[C@H]1CN(C2CCCCC2)C(=O)O1)C(=O)[O-] ZINC001595656400 982052441 /nfs/dbraw/zinc/05/24/41/982052441.db2.gz YAZGTUDUAAKZPP-KGLIPLIRSA-N -1 0 329.462 3.517 20 0 EHADRM CC(C)c1sc(NC(=O)C2CCC(F)(F)CC2)nc1C(=O)[O-] ZINC000910697603 982069140 /nfs/dbraw/zinc/06/91/40/982069140.db2.gz SWFIAEMBEQWNCW-UHFFFAOYSA-N -1 0 332.372 3.729 20 0 EHADRM CSCCCCC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000910703076 982072986 /nfs/dbraw/zinc/07/29/86/982072986.db2.gz BUWPFAIVCAPLDR-UHFFFAOYSA-N -1 0 346.246 3.619 20 0 EHADRM CCCCCC(C)(C)C(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1 ZINC001595663050 982082124 /nfs/dbraw/zinc/08/21/24/982082124.db2.gz QNXZAXJYUPTRTQ-UHFFFAOYSA-N -1 0 335.400 3.716 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)c2cc(C)cc(C)c2)nc1C(=O)[O-] ZINC000910721163 982083013 /nfs/dbraw/zinc/08/30/13/982083013.db2.gz CPPGIAKZWWZJQW-AWEZNQCLSA-N -1 0 344.436 3.744 20 0 EHADRM O=C([O-])c1nc(NC(=O)Cc2cccc(Cl)c2)sc1C1CC1 ZINC000910733345 982095092 /nfs/dbraw/zinc/09/50/92/982095092.db2.gz BVRCXVBKPKGUHI-UHFFFAOYSA-N -1 0 336.800 3.553 20 0 EHADRM O=C([O-])c1nc(NC(=O)c2ccc(C(F)F)cc2)sc1C1CC1 ZINC000910735745 982098926 /nfs/dbraw/zinc/09/89/26/982098926.db2.gz UVLPHESHLAXKGT-UHFFFAOYSA-N -1 0 338.335 3.909 20 0 EHADRM O=C([O-])c1nc(NC(=O)c2cccc(C(F)F)c2)sc1C1CC1 ZINC000910743130 982106396 /nfs/dbraw/zinc/10/63/96/982106396.db2.gz WLBJURXZWVZUDO-UHFFFAOYSA-N -1 0 338.335 3.909 20 0 EHADRM CCCCC[C@@H](NC(=O)[C@@H](C)Oc1cccc(C(C)C)c1)C(=O)[O-] ZINC001595668904 982111543 /nfs/dbraw/zinc/11/15/43/982111543.db2.gz DLPGHFXJGRVBAN-RHSMWYFYSA-N -1 0 335.444 3.727 20 0 EHADRM CCCCC[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1C)C(=O)[O-] ZINC001595670447 982117940 /nfs/dbraw/zinc/11/79/40/982117940.db2.gz PUNFQYGLKYZOGY-GXTWGEPZSA-N -1 0 341.835 3.565 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NC[C@]12C[C@H]1CCCC2)C(=O)[O-] ZINC000910805710 982126898 /nfs/dbraw/zinc/12/68/98/982126898.db2.gz XTGXDXKQXLSPCJ-JCGVRSQUSA-N -1 0 333.453 3.562 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@@H]2[C@@H](C)c2ccccc2)oc1C(=O)[O-] ZINC000910935517 982169732 /nfs/dbraw/zinc/16/97/32/982169732.db2.gz JCHKIDKAYFKIGI-DZGCQCFKSA-N -1 0 327.380 3.695 20 0 EHADRM CSc1ccc(NC(=O)CCCc2nccs2)cc1C(=O)[O-] ZINC000910946311 982171004 /nfs/dbraw/zinc/17/10/04/982171004.db2.gz KXDUTSWQRHJPQD-UHFFFAOYSA-N -1 0 336.438 3.525 20 0 EHADRM CC[C@@H]1C[C@H](CC(=O)Nc2ccc(SC)c(C(=O)[O-])c2)CCO1 ZINC000910947283 982171686 /nfs/dbraw/zinc/17/16/86/982171686.db2.gz BRPHGQZLQCRZFG-DGCLKSJQSA-N -1 0 337.441 3.641 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N(Cc2cccc(F)c2)C2CCC2)c1 ZINC000910951979 982174167 /nfs/dbraw/zinc/17/41/67/982174167.db2.gz NOAWUPBLGOIKLC-UHFFFAOYSA-N -1 0 341.382 3.648 20 0 EHADRM CC[C@H](C)[C@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC001594866623 982176693 /nfs/dbraw/zinc/17/66/93/982176693.db2.gz SOJXXEOAKZHKQN-KSSFIOAISA-N -1 0 340.423 3.568 20 0 EHADRM CCCCCC[C@H](C)C(=O)N1CCOc2ccccc2[C@@H]1C(=O)[O-] ZINC001595694901 982215534 /nfs/dbraw/zinc/21/55/34/982215534.db2.gz KNVAUPWJOQOFAK-WMLDXEAASA-N -1 0 333.428 3.640 20 0 EHADRM C[C@]1(Cc2cccs2)CCCN1C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000911060294 982219100 /nfs/dbraw/zinc/21/91/00/982219100.db2.gz BXLGGUYULGUELK-JHTBKMLMSA-N -1 0 345.420 3.676 20 0 EHADRM CC[C@H](C)n1ncc(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)c1C1CC1 ZINC000911069736 982223891 /nfs/dbraw/zinc/22/38/91/982223891.db2.gz VRDGIOBJHQEFAU-LBPRGKRZSA-N -1 0 341.411 3.990 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)c1 ZINC000911083732 982230442 /nfs/dbraw/zinc/23/04/42/982230442.db2.gz ZBFGZCBDCIMGNR-CSKARUKUSA-N -1 0 343.379 3.945 20 0 EHADRM CCCCCC[C@@H](CC)C(=O)N[C@@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC001595699199 982256999 /nfs/dbraw/zinc/25/69/99/982256999.db2.gz YBZBUCLHRFSQRA-RDTXWAMCSA-N -1 0 347.455 3.860 20 0 EHADRM CCCCCCO[C@H](C)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001595711183 982297849 /nfs/dbraw/zinc/29/78/49/982297849.db2.gz QVHLNDMKMNIBQV-LLVKDONJSA-N -1 0 327.808 3.962 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)c1cc(C(=O)[O-])ccc1Cl)C(C)C ZINC000911373464 982390744 /nfs/dbraw/zinc/39/07/44/982390744.db2.gz BKGAPOCLBWIPDM-OAHLLOKOSA-N -1 0 346.814 3.869 20 0 EHADRM O=C([O-])CC1(CC(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)CCCC1 ZINC000911391117 982414714 /nfs/dbraw/zinc/41/47/14/982414714.db2.gz UZKBEELVKALSQL-QWHCGFSZSA-N -1 0 349.393 3.897 20 0 EHADRM Cc1cc2cc(CNC(=O)C34CCC(C(=O)[O-])(CC3)CC4)ccc2[nH]1 ZINC000911390747 982414780 /nfs/dbraw/zinc/41/47/80/982414780.db2.gz SGVUXCKDOBLLDL-UHFFFAOYSA-N -1 0 340.423 3.518 20 0 EHADRM Cc1cc(F)ccc1[C@H]1CCCN1C(=O)c1cccc(CC(=O)[O-])c1 ZINC000911397796 982417285 /nfs/dbraw/zinc/41/72/85/982417285.db2.gz DLBVTPSWLBBXCW-GOSISDBHSA-N -1 0 341.382 3.739 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)c1nc(-c2ccccc2)oc1C(C)C)C(=O)[O-] ZINC001594912242 982422053 /nfs/dbraw/zinc/42/20/53/982422053.db2.gz IXJTUYIYNCEHKC-OCCSQVGLSA-N -1 0 344.411 3.694 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)c1cccc(SC(F)(F)F)c1)C(=O)[O-] ZINC001594912860 982426370 /nfs/dbraw/zinc/42/63/70/982426370.db2.gz PZKOHFDNQZWYHH-KCJUWKMLSA-N -1 0 335.347 3.528 20 0 EHADRM CCCCN1CCc2ccc(NC(=O)c3ccsc3C(=O)[O-])cc21 ZINC001595750722 982429828 /nfs/dbraw/zinc/42/98/28/982429828.db2.gz BIUDULPSYHPTPA-UHFFFAOYSA-N -1 0 344.436 3.861 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)Nc1ccc(OC(C)C)cc1Cl ZINC000911470201 982448899 /nfs/dbraw/zinc/44/88/99/982448899.db2.gz VKQAKELVXAQIGJ-UHFFFAOYSA-N -1 0 337.759 3.979 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[C@H]1c1ccc(F)cc1F ZINC000911543700 982486422 /nfs/dbraw/zinc/48/64/22/982486422.db2.gz CGFLTPUPRPGOQU-AWEZNQCLSA-N -1 0 335.306 3.542 20 0 EHADRM CCCCO[C@@H](C)C(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001595766125 982495508 /nfs/dbraw/zinc/49/55/08/982495508.db2.gz XHLAOYUNMDQABB-GWCFXTLKSA-N -1 0 348.317 3.737 20 0 EHADRM CCCCOCCCNc1nc(C)nc2sc(C(=O)[O-])c(C)c21 ZINC001595770265 982506155 /nfs/dbraw/zinc/50/61/55/982506155.db2.gz QBRNQXMTEMPNSI-UHFFFAOYSA-N -1 0 337.445 3.625 20 0 EHADRM CCCCOc1ccc(C(=O)NCC2(CC(=O)[O-])CCCC2)cc1 ZINC001595776603 982544517 /nfs/dbraw/zinc/54/45/17/982544517.db2.gz HUTUCOIPQBXADA-UHFFFAOYSA-N -1 0 333.428 3.630 20 0 EHADRM CCCCOc1ccc(C(=O)Nc2c(C)ccc(C(=O)[O-])c2O)cc1 ZINC001595777292 982546452 /nfs/dbraw/zinc/54/64/52/982546452.db2.gz PPWHRMIFMQANHD-UHFFFAOYSA-N -1 0 343.379 3.830 20 0 EHADRM CCCCOc1cccc(CNC(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC001595781192 982559635 /nfs/dbraw/zinc/55/96/35/982559635.db2.gz ZTRATDRQNUOTGC-UHFFFAOYSA-N -1 0 348.424 3.947 20 0 EHADRM O=C([O-])CC1(CC(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)CCCC1 ZINC000911646039 982583073 /nfs/dbraw/zinc/58/30/73/982583073.db2.gz QBYAXOJOWGBGRB-ZDUSSCGKSA-N -1 0 341.407 3.519 20 0 EHADRM CCCCc1cc(N[C@@H](C)[C@H](Cc2ccccc2)C(=O)[O-])ncn1 ZINC001595791932 982592007 /nfs/dbraw/zinc/59/20/07/982592007.db2.gz MHNGWOCHAMJYAL-YOEHRIQHSA-N -1 0 327.428 3.563 20 0 EHADRM CCCCc1ccc(C(=O)N2CCc3cc(C(=O)[O-])ccc3C2)cc1 ZINC001595793117 982594654 /nfs/dbraw/zinc/59/46/54/982594654.db2.gz DIZLAGACEFHHJJ-UHFFFAOYSA-N -1 0 337.419 3.926 20 0 EHADRM CCCCc1ccc([C@@H](NC(=O)N2CC[C@H](C(=O)[O-])C2)C(C)C)cc1 ZINC001595794019 982598022 /nfs/dbraw/zinc/59/80/22/982598022.db2.gz VJDYBVRLEWJEBP-ROUUACIJSA-N -1 0 346.471 3.842 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)/C=C/c1ccsc1C(F)(F)F)C(=O)[O-] ZINC001594938715 982608748 /nfs/dbraw/zinc/60/87/48/982608748.db2.gz OWJBCIYQBUZKIZ-ALWPCLGOSA-N -1 0 349.374 3.786 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000911716601 982610180 /nfs/dbraw/zinc/61/01/80/982610180.db2.gz BTYDTEGXSXFMNI-FQLMCAECSA-N -1 0 335.831 3.593 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)NCc2ccc(C(=O)[O-])cn2)cc1 ZINC000911732269 982616240 /nfs/dbraw/zinc/61/62/40/982616240.db2.gz RPIIAYFISVYZKC-ONEGZZNKSA-N -1 0 338.407 3.623 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)CSc1ccc(C(C)C)cc1)C(=O)[O-] ZINC001594942493 982620104 /nfs/dbraw/zinc/62/01/04/982620104.db2.gz QPBNANYWCWEMFA-CJNGLKHVSA-N -1 0 337.485 3.908 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)Cc1cccc(Cl)c1Cl)C(=O)[O-] ZINC001594943098 982622228 /nfs/dbraw/zinc/62/22/28/982622228.db2.gz UUMWFQSYUHGFII-CABZTGNLSA-N -1 0 332.227 3.542 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)c1cc2c(ccc3ccccc23)[nH]1)C(=O)[O-] ZINC001594944664 982627797 /nfs/dbraw/zinc/62/77/97/982627797.db2.gz HNIPCVDTZGUFGX-XIKOKIGWSA-N -1 0 338.407 3.940 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)c1ccnc2cc(Cl)ccc21)C(=O)[O-] ZINC001594945704 982634772 /nfs/dbraw/zinc/63/47/72/982634772.db2.gz GDHFUMDXOROIJD-ZUZCIYMTSA-N -1 0 334.803 3.507 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)c1sc2ccc(F)cc2c1C)C(=O)[O-] ZINC001594949482 982648865 /nfs/dbraw/zinc/64/88/65/982648865.db2.gz BKUPBSMXSAJENU-TVQRCGJNSA-N -1 0 337.416 3.968 20 0 EHADRM CCCN(C(=O)[C@@H](C)c1ccccc1C(F)(F)F)[C@@H](C)C(=O)[O-] ZINC001595814977 982662600 /nfs/dbraw/zinc/66/26/00/982662600.db2.gz WIWMXMJKUWZZAC-QWRGUYRKSA-N -1 0 331.334 3.521 20 0 EHADRM CC[C@@H](C)C[C@H](Nc1nn2cc(-c3ccccc3)nc2s1)C(=O)[O-] ZINC001594953404 982679459 /nfs/dbraw/zinc/67/94/59/982679459.db2.gz RVICUKIFVFDUQF-YPMHNXCESA-N -1 0 344.440 3.759 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc(-c3ccccc3F)on2)ccc1F ZINC000918154880 982686922 /nfs/dbraw/zinc/68/69/22/982686922.db2.gz JHFNTCKIJCPBGU-UHFFFAOYSA-N -1 0 344.273 3.570 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)/C=C\c1ccccc1Cl)c1ccc(F)cc1 ZINC000920938682 982694786 /nfs/dbraw/zinc/69/47/86/982694786.db2.gz UNHRCVSOJORBFH-BSDKJSHOSA-N -1 0 347.773 3.825 20 0 EHADRM CC[C@@H](C)CCCCC(=O)N1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001594958809 982700766 /nfs/dbraw/zinc/70/07/66/982700766.db2.gz GLVOZFXWMRKCOK-CYBMUJFWSA-N -1 0 336.432 3.685 20 0 EHADRM CCCN(C(=O)c1ccc(Oc2ncccc2C)cc1)[C@H](C)C(=O)[O-] ZINC001595826449 982709996 /nfs/dbraw/zinc/70/99/96/982709996.db2.gz GSWUEUJZRNRHCG-CQSZACIVSA-N -1 0 342.395 3.508 20 0 EHADRM CCCN(C(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1)[C@@H](C)C(=O)[O-] ZINC001595827618 982713752 /nfs/dbraw/zinc/71/37/52/982713752.db2.gz UUFBZTRLSISMAK-VIFPVBQESA-N -1 0 342.317 3.512 20 0 EHADRM CCCN(C(=O)c1cccc(N[C@H](C)C(C)C)c1C)[C@H](C)C(=O)[O-] ZINC001595830289 982717062 /nfs/dbraw/zinc/71/70/62/982717062.db2.gz MMXPRAHSSJPKLJ-HUUCEWRRSA-N -1 0 334.460 3.777 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc(Oc2cccc(C)c2)cn1 ZINC001594977120 982754684 /nfs/dbraw/zinc/75/46/84/982754684.db2.gz FPWXTUCNOVXVJG-AWEZNQCLSA-N -1 0 342.395 3.508 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)c1cc(F)c(Oc2ccccc2)c(F)c1 ZINC001595849084 982779337 /nfs/dbraw/zinc/77/93/37/982779337.db2.gz MNZHBZNXBUPAMA-UHFFFAOYSA-N -1 0 349.333 3.694 20 0 EHADRM CC[C@@H](C)Oc1cc(CNc2nc(Cl)c(C(=O)[O-])s2)ccn1 ZINC001594999398 982906446 /nfs/dbraw/zinc/90/64/46/982906446.db2.gz FRCJHGTUYFKJGC-MRVPVSSYSA-N -1 0 341.820 3.679 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C\C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001595006397 982923384 /nfs/dbraw/zinc/92/33/84/982923384.db2.gz WXOBFRLVLDHVQE-YLGBQOPLSA-N -1 0 340.379 3.609 20 0 EHADRM CC[C@H](C)c1ccc(C(=O)N[C@](C)(CC(=O)[O-])c2ccncc2)cc1 ZINC001595010198 982939137 /nfs/dbraw/zinc/93/91/37/982939137.db2.gz OKUJKOJGPNMDKR-VBKZILBWSA-N -1 0 340.423 3.715 20 0 EHADRM CC[C@H](C)c1ccccc1OS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001595015086 982958462 /nfs/dbraw/zinc/95/84/62/982958462.db2.gz DWAIWYWPZJJWSE-LBPRGKRZSA-N -1 0 334.393 3.666 20 0 EHADRM CCCN1CCN(Cc2cc(C(=O)[O-])cs2)c2ccc(F)cc21 ZINC001595911943 983002960 /nfs/dbraw/zinc/00/29/60/983002960.db2.gz BNVUSOJIVIHKPM-UHFFFAOYSA-N -1 0 334.416 3.822 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C[C@H]1C=CCC1)c1ccc(C(F)(F)F)cc1 ZINC001120312409 983027127 /nfs/dbraw/zinc/02/71/27/983027127.db2.gz ZEKDMMANIMRLSI-SMDDNHRTSA-N -1 0 341.329 3.694 20 0 EHADRM CCCO[C@H]1CCCN(c2ncc(C(=O)[O-])cc2C(F)(F)F)CC1 ZINC001595945179 983101164 /nfs/dbraw/zinc/10/11/64/983101164.db2.gz ILMQVCPLZSBKEW-LBPRGKRZSA-N -1 0 346.349 3.584 20 0 EHADRM CC(C)(C)Oc1ccc(CNC(=O)CC2(C(=O)[O-])CCCC2)cc1 ZINC000620149373 1125485908 /nfs/dbraw/zinc/48/59/08/1125485908.db2.gz AOGYXVGCBSIJGE-UHFFFAOYSA-N -1 0 333.428 3.515 20 0 EHADRM CCCOc1ccc(CCC(=O)N(CC(C)C)C(C)(C)C(=O)[O-])cc1 ZINC001595954764 983140802 /nfs/dbraw/zinc/14/08/02/983140802.db2.gz VJCBZYSWZAVRDM-UHFFFAOYSA-N -1 0 349.471 3.756 20 0 EHADRM CCCOc1ccc(NC(=O)NCc2ccc(C(=O)[O-])cc2F)cc1 ZINC001595961165 983156806 /nfs/dbraw/zinc/15/68/06/983156806.db2.gz ULOOGDIFGYMFMB-UHFFFAOYSA-N -1 0 346.358 3.634 20 0 EHADRM CCCOc1ccccc1NC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001595969559 983191616 /nfs/dbraw/zinc/19/16/16/983191616.db2.gz OWEDKQUJRXCMBA-CQSZACIVSA-N -1 0 348.443 3.830 20 0 EHADRM CCCSc1cccc(NC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)n1 ZINC001595987625 983239968 /nfs/dbraw/zinc/23/99/68/983239968.db2.gz LLKGDDNWJCVUNL-LLVKDONJSA-N -1 0 339.461 3.595 20 0 EHADRM CCC[C@@H](NC(=O)C(C)(C)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001595987648 983240093 /nfs/dbraw/zinc/24/00/93/983240093.db2.gz LYPTYOHOKXPYMG-CYBMUJFWSA-N -1 0 345.361 3.644 20 0 EHADRM CCCc1c(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)[nH]c(C)c1C(=O)[O-] ZINC001596036265 983312636 /nfs/dbraw/zinc/31/26/36/983312636.db2.gz HKVZOBLCLGLZHL-LSDHHAIUSA-N -1 0 332.444 3.672 20 0 EHADRM CCCc1c(C(=O)Nc2cncc(C(C)C)c2)[nH]c(C)c1C(=O)[O-] ZINC001596046814 983340400 /nfs/dbraw/zinc/34/04/00/983340400.db2.gz JKRUJUKTZUVTOF-UHFFFAOYSA-N -1 0 329.400 3.745 20 0 EHADRM CCCc1c(NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)cnn1-c1ccc(C)cc1 ZINC001596050757 983349067 /nfs/dbraw/zinc/34/90/67/983349067.db2.gz LIONQZROIWAMKI-BBRMVZONSA-N -1 0 349.381 3.511 20 0 EHADRM CCCc1cc(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)ccc1Cl ZINC001596053433 983354659 /nfs/dbraw/zinc/35/46/59/983354659.db2.gz QSJDUZZVIYJNJI-KSSFIOAISA-N -1 0 335.831 3.619 20 0 EHADRM CCCc1ccc(C(=O)N[C@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC001596060648 983369855 /nfs/dbraw/zinc/36/98/55/983369855.db2.gz OEAXPPIQOXOJHE-DNVCBOLYSA-N -1 0 339.435 3.701 20 0 EHADRM CCCn1c(C)nnc1SCc1cccc(C(=O)[O-])c1Cl ZINC001596108962 983437049 /nfs/dbraw/zinc/43/70/49/983437049.db2.gz YLNNACJVZRVWPU-UHFFFAOYSA-N -1 0 325.821 3.640 20 0 EHADRM CCCn1ccc2ccc(NC(=O)c3ccc(/C=C/C(=O)[O-])o3)cc21 ZINC001596116204 983446896 /nfs/dbraw/zinc/44/68/96/983446896.db2.gz VQTIJZQAOJZTMQ-SOFGYWHQSA-N -1 0 338.363 3.994 20 0 EHADRM CCN(C(=O)[C@H]1CC[C@H]1c1ccc(Cl)cc1F)C(C)(C)C(=O)[O-] ZINC001596136689 983484308 /nfs/dbraw/zinc/48/43/08/983484308.db2.gz DLMFFGVLMIFYBE-AAEUAGOBSA-N -1 0 341.810 3.684 20 0 EHADRM CCN(C(=O)CCc1ccccc1C(=O)[O-])c1ccc(F)c(F)c1 ZINC001596139943 983492165 /nfs/dbraw/zinc/49/21/65/983492165.db2.gz OLINWUHMKWLICN-UHFFFAOYSA-N -1 0 333.334 3.649 20 0 EHADRM CCN(C(=O)c1cc2c(cccc2C)o1)c1ncc(C(=O)[O-])s1 ZINC001596165581 983530172 /nfs/dbraw/zinc/53/01/72/983530172.db2.gz UPCXWRJBXOPKOM-UHFFFAOYSA-N -1 0 330.365 3.563 20 0 EHADRM CCN(CC(=O)Nc1ccc(C(C)C)cc1C(=O)[O-])c1ccccc1 ZINC001596208165 983596536 /nfs/dbraw/zinc/59/65/36/983596536.db2.gz FMWJORXLHWPPNU-UHFFFAOYSA-N -1 0 340.423 3.973 20 0 EHADRM CCN(CC(=O)[O-])C(=O)[C@@H](Sc1ccccc1F)c1ccccc1 ZINC001596212322 983602970 /nfs/dbraw/zinc/60/29/70/983602970.db2.gz IMVKEEGDUNFJPZ-KRWDZBQOSA-N -1 0 347.411 3.592 20 0 EHADRM CCN(CCCNc1ncc(C(=O)[O-])cc1Cl)c1ccccc1 ZINC001596328376 983764779 /nfs/dbraw/zinc/76/47/79/983764779.db2.gz RAPBMEUYNXBNDG-UHFFFAOYSA-N -1 0 333.819 3.762 20 0 EHADRM Cc1nc(CNCc2cnc(-c3cccs3)s2)ccc1C(=O)[O-] ZINC000426659184 1032107019 /nfs/dbraw/zinc/10/70/19/1032107019.db2.gz CFTLLRIHIOOKRT-UHFFFAOYSA-N -1 0 345.449 3.563 20 0 EHADRM CCN(CCc1cccs1)C(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001596351893 983810994 /nfs/dbraw/zinc/81/09/94/983810994.db2.gz KWXSQXVSBHJZSW-UHFFFAOYSA-N -1 0 348.424 3.551 20 0 EHADRM CCN(Cc1cc(C(=O)[O-])ccc1Cl)[C@H](C)C(=O)OC(C)(C)C ZINC001596354470 983818619 /nfs/dbraw/zinc/81/86/19/983818619.db2.gz SMHVWSOVGIOHHY-LLVKDONJSA-N -1 0 341.835 3.590 20 0 EHADRM CCN(Cc1ccc(C)cc1)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001596359399 983833736 /nfs/dbraw/zinc/83/37/36/983833736.db2.gz HMDQHVJZXQWRFZ-UHFFFAOYSA-N -1 0 344.386 3.815 20 0 EHADRM CCNC(=O)Nc1ccc(C)c(N[C@H](C)CC(C)(C)CC(=O)[O-])c1 ZINC001596473087 984197207 /nfs/dbraw/zinc/19/72/07/984197207.db2.gz CCYBWYSEOUDMNA-CYBMUJFWSA-N -1 0 335.448 3.828 20 0 EHADRM CCOC(=O)/C(=C/c1cc(C(=O)[O-])ccc1Cl)c1ncccc1C ZINC001596509504 984271383 /nfs/dbraw/zinc/27/13/83/984271383.db2.gz OTGZPWHDEUBELE-GXDHUFHOSA-N -1 0 345.782 3.845 20 0 EHADRM CCOC(=O)C[C@H](C)SCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001596592484 984529513 /nfs/dbraw/zinc/52/95/13/984529513.db2.gz KKJKUKLKWJGQCY-NSHDSACASA-N -1 0 349.408 3.615 20 0 EHADRM C=COc1ccc(NC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC001588912940 984553822 /nfs/dbraw/zinc/55/38/22/984553822.db2.gz TZIWTGLNGSPRIG-ZDUSSCGKSA-N -1 0 332.400 3.564 20 0 EHADRM C/C(=C\C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)c1cccc(Cl)c1 ZINC001588939986 984632032 /nfs/dbraw/zinc/63/20/32/984632032.db2.gz VYHNESACZXNDCP-VFPJVTBKSA-N -1 0 347.842 3.988 20 0 EHADRM C/C(=C\C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)c1cccs1 ZINC001588944104 984644445 /nfs/dbraw/zinc/64/44/45/984644445.db2.gz PBCNXRSXSXLKIO-JXMROGBWSA-N -1 0 326.377 3.970 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)C/C=C\c1cccc(F)c1 ZINC001599886862 984646308 /nfs/dbraw/zinc/64/63/08/984646308.db2.gz AHOHHWQAXBCRDK-IZIDJEDMSA-N -1 0 341.382 3.731 20 0 EHADRM C[C@H](OC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1cccc(OC(F)F)c1 ZINC001599903710 984892912 /nfs/dbraw/zinc/89/29/12/984892912.db2.gz CNFBYTNNUOYGMF-CYZMBNFOSA-N -1 0 342.338 3.783 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001599905312 984914102 /nfs/dbraw/zinc/91/41/02/984914102.db2.gz GCQQCOGUDDHEQF-SNVBAGLBSA-N -1 0 333.775 3.658 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001588995886 984930086 /nfs/dbraw/zinc/93/00/86/984930086.db2.gz VCZKWONQXLRCSS-QINSGFPZSA-N -1 0 335.403 3.681 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)N1c2cccc(C)c2C[C@@H]1C(=O)[O-] ZINC001588998103 984934166 /nfs/dbraw/zinc/93/41/66/984934166.db2.gz HPXGIGYNGYVGSM-ADYSOMBNSA-N -1 0 339.366 3.580 20 0 EHADRM C/C(=C/c1ccccc1Cl)C(=O)N[C@H](CC(=O)[O-])C1CCCC1 ZINC001589003480 984953189 /nfs/dbraw/zinc/95/31/89/984953189.db2.gz BBSLNVGYVBKTSI-UILAEWCASA-N -1 0 335.831 3.893 20 0 EHADRM C/C(=C\c1ccccc1)CN(C)C(=O)c1ccsc1CC(=O)[O-] ZINC001589003665 984955385 /nfs/dbraw/zinc/95/53/85/984955385.db2.gz HHHLEDYFMMMVIP-JLHYYAGUSA-N -1 0 329.421 3.551 20 0 EHADRM C[C@H]1CC[C@H](C(=O)N[C@@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])CC1 ZINC001599908793 984957610 /nfs/dbraw/zinc/95/76/10/984957610.db2.gz KWNVKKMGPGVCKW-XPYUAMARSA-N -1 0 343.467 3.892 20 0 EHADRM C/C(=C/c1ccncc1)C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001589011010 984985838 /nfs/dbraw/zinc/98/58/38/984985838.db2.gz OZOYHGIBNNRNTR-RAXLEYEMSA-N -1 0 340.379 3.609 20 0 EHADRM CC(=O)CC(C)(C)CC(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1 ZINC001589029735 985053932 /nfs/dbraw/zinc/05/39/32/985053932.db2.gz KBPHWTWVLGZSHU-INIZCTEOSA-N -1 0 339.476 3.702 20 0 EHADRM CC(=O)CCCCCCC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O ZINC001589035180 985080516 /nfs/dbraw/zinc/08/05/16/985080516.db2.gz NKMBTFXMCHTMBV-UHFFFAOYSA-N -1 0 341.791 3.612 20 0 EHADRM CCO[C@H](C(=O)N(c1ccccc1C(=O)[O-])C1CCC1)C1CCCC1 ZINC001596760394 985138188 /nfs/dbraw/zinc/13/81/88/985138188.db2.gz FBBOJOFNQFVRSI-SFHVURJKSA-N -1 0 345.439 3.866 20 0 EHADRM CC(=O)N(c1ccc(NCc2cc(C)c(C(=O)[O-])o2)cc1)[C@H]1C[C@@H]1C ZINC001589051361 985138461 /nfs/dbraw/zinc/13/84/61/985138461.db2.gz GUWPCDBGCIWJOJ-GTNSWQLSSA-N -1 0 342.395 3.660 20 0 EHADRM CCO[C@@H](C)c1noc(CSCc2ccc(C)c(C(=O)[O-])c2)n1 ZINC001596775593 985207022 /nfs/dbraw/zinc/20/70/22/985207022.db2.gz PTCJEIDAIKWGFH-NSHDSACASA-N -1 0 336.413 3.607 20 0 EHADRM CCO[C@@H](CCNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)C(C)C ZINC001596784758 985253054 /nfs/dbraw/zinc/25/30/54/985253054.db2.gz XNMDRJVXNHISII-AWEZNQCLSA-N -1 0 342.823 3.611 20 0 EHADRM CCOC1(CNc2nc(C)nc3sc(C(=O)[O-])c(C)c32)CCCC1 ZINC001596797553 985299890 /nfs/dbraw/zinc/29/98/90/985299890.db2.gz WSOUCDFULPMWEA-UHFFFAOYSA-N -1 0 349.456 3.768 20 0 EHADRM C[C@]1(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C[C@@H]1c1ccccc1 ZINC001599938087 985420965 /nfs/dbraw/zinc/42/09/65/985420965.db2.gz ZVDUFHUYJOWCGK-ZMZPIMSZSA-N -1 0 331.318 3.795 20 0 EHADRM Cc1nc(=O)[nH]c(SCc2cc(Cl)cc(Cl)c2)c1C(=O)[O-] ZINC001599942261 985469148 /nfs/dbraw/zinc/46/91/48/985469148.db2.gz XHSSMFLQQOBRBL-UHFFFAOYSA-N -1 0 345.207 3.788 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)N(C)Cc2ccccc2Cl)c(C)c1C(=O)[O-] ZINC001599942549 985473461 /nfs/dbraw/zinc/47/34/61/985473461.db2.gz ONYRQJBXZAECMK-LBPRGKRZSA-N -1 0 348.830 3.686 20 0 EHADRM C[C@H]1[C@@H](C)N(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)C[C@H]1C ZINC001594479168 985512063 /nfs/dbraw/zinc/51/20/63/985512063.db2.gz UJWDUUCAWHYCNK-IWSPIJDZSA-N -1 0 328.771 3.686 20 0 EHADRM CCO[C@@H]1C[C@@H](Nc2nc(Cl)c(C(=O)[O-])s2)C1(CC)CC ZINC001596841706 985526675 /nfs/dbraw/zinc/52/66/75/985526675.db2.gz CIMZKSXPTQSUBM-RKDXNWHRSA-N -1 0 332.853 3.890 20 0 EHADRM CCO[C@@H]1C[C@H](OC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C12CCCCC2 ZINC001596845424 985541878 /nfs/dbraw/zinc/54/18/78/985541878.db2.gz GIJKGOSKJABPQY-FPCVCCKLSA-N -1 0 338.444 3.549 20 0 EHADRM Cc1[nH]c(C(=O)COc2ccccc2C(F)(F)F)c(C)c1C(=O)[O-] ZINC001599947879 985559801 /nfs/dbraw/zinc/55/98/01/985559801.db2.gz SGZVLYVERYFPKG-UHFFFAOYSA-N -1 0 341.285 3.610 20 0 EHADRM Cc1[nH]c(C(=O)N(Cc2ccccc2F)C(C)C)c(C)c1C(=O)[O-] ZINC001599950266 985597021 /nfs/dbraw/zinc/59/70/21/985597021.db2.gz HDGSUQKLPYZOHT-UHFFFAOYSA-N -1 0 332.375 3.520 20 0 EHADRM Cc1[nH]c(C(=O)N2CC[C@@H]([C@@H]3CCCC3(C)C)C2)c(C)c1C(=O)[O-] ZINC001599951223 985610138 /nfs/dbraw/zinc/61/01/38/985610138.db2.gz ORVNDFRLWJOYBL-KGLIPLIRSA-N -1 0 332.444 3.618 20 0 EHADRM CCO/C=C\C(=O)Nc1ccc(Oc2ccccc2)cc1C(=O)[O-] ZINC001596861653 985637002 /nfs/dbraw/zinc/63/70/02/985637002.db2.gz FIXGIIFANPXZOO-KHPPLWFESA-N -1 0 327.336 3.666 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCC[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001599955497 985681373 /nfs/dbraw/zinc/68/13/73/985681373.db2.gz PLTAXYJNWIYFPX-SMDDNHRTSA-N -1 0 334.460 3.912 20 0 EHADRM C[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C[C@H](C2CC2)O1 ZINC001594503455 985698634 /nfs/dbraw/zinc/69/86/34/985698634.db2.gz YRXQZZADJVPIPR-DFKRKDTASA-N -1 0 344.238 3.618 20 0 EHADRM C[C@H]1CN(CC(=O)c2c[nH]c3ccc(C(=O)[O-])cc23)Cc2ccccc21 ZINC001594505473 985711753 /nfs/dbraw/zinc/71/17/53/985711753.db2.gz DKQJSSDXALCCTO-ZDUSSCGKSA-N -1 0 348.402 3.668 20 0 EHADRM CCOC[C@H](NC(=O)Nc1ccc(C(=O)[O-])c2ccccc12)C(C)C ZINC001596890017 985807355 /nfs/dbraw/zinc/80/73/55/985807355.db2.gz UFLJJKVKTMBYFE-KRWDZBQOSA-N -1 0 344.411 3.721 20 0 EHADRM Cc1[nH]c(CNc2ccc(OC(F)F)c3cccnc23)cc1C(=O)[O-] ZINC001599963574 985847203 /nfs/dbraw/zinc/84/72/03/985847203.db2.gz ODDSJOOBPANAQT-UHFFFAOYSA-N -1 0 347.321 3.783 20 0 EHADRM CCOCCC1(C(=O)Oc2cc(C(=O)[O-])cc(F)c2C)CCCC1 ZINC001596899417 985870479 /nfs/dbraw/zinc/87/04/79/985870479.db2.gz YBEQUYWUVFSPKH-UHFFFAOYSA-N -1 0 338.375 3.725 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2ccc(C(=O)[O-])cc2)c1C ZINC001589249498 985871566 /nfs/dbraw/zinc/87/15/66/985871566.db2.gz XSNHTVFDPBPJFH-GFCCVEGCSA-N -1 0 345.420 3.896 20 0 EHADRM Cc1[nH]c2ccc(C(=O)N[C@@H](CC(=O)[O-])C3CCCC3)cc2c1C ZINC001599965232 985890201 /nfs/dbraw/zinc/89/02/01/985890201.db2.gz RDTOMNSVGRBYAM-KRWDZBQOSA-N -1 0 328.412 3.548 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)c1coc2cc(F)ccc21 ZINC001589266469 985940163 /nfs/dbraw/zinc/94/01/63/985940163.db2.gz BTRBAPKZPLQOIJ-UHFFFAOYSA-N -1 0 342.278 3.692 20 0 EHADRM CC(=O)c1cc(NC(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)ccc1F ZINC001589270303 985960037 /nfs/dbraw/zinc/96/00/37/985960037.db2.gz JQKMHAZHCQJJLE-SNVBAGLBSA-N -1 0 344.342 3.860 20 0 EHADRM CC(=O)c1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C)c2C)c(F)c1 ZINC001589279842 986005523 /nfs/dbraw/zinc/00/55/23/986005523.db2.gz YVWMYMIFTRDZGX-QGZVFWFLSA-N -1 0 344.338 3.628 20 0 EHADRM CC(=O)c1ccc(COc2cc(Br)cc(C(=O)[O-])c2)cc1 ZINC001589283937 986016911 /nfs/dbraw/zinc/01/69/11/986016911.db2.gz UWMKLXMVYGLIDN-UHFFFAOYSA-N -1 0 349.180 3.929 20 0 EHADRM CC(=O)c1ccc(Cl)c(Cl)c1OC[C@@H]1CC(C(=O)[O-])=C(C)O1 ZINC001589284156 986020222 /nfs/dbraw/zinc/02/02/22/986020222.db2.gz RSPLPWHQPOUVFF-VIFPVBQESA-N -1 0 345.178 3.722 20 0 EHADRM CC(=O)c1ccc2c(c1)CN(Cc1cccc(C(=O)[O-])c1Cl)C2 ZINC001589305263 986070127 /nfs/dbraw/zinc/07/01/27/986070127.db2.gz KKZXWVAGLZWHJX-UHFFFAOYSA-N -1 0 329.783 3.757 20 0 EHADRM CC(=O)c1ccc2c(c1)CN([C@H](C(=O)[O-])c1c(F)cccc1Cl)C2 ZINC001589305859 986071388 /nfs/dbraw/zinc/07/13/88/986071388.db2.gz PISOSRZTAFNRKM-KRWDZBQOSA-N -1 0 347.773 3.823 20 0 EHADRM CCON(CC1CCCCC1)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001596963428 986158948 /nfs/dbraw/zinc/15/89/48/986158948.db2.gz JIDGNOFULBETBR-UHFFFAOYSA-N -1 0 325.449 3.772 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)Nc1[nH]cnc1C(=O)[O-] ZINC001599983628 986199437 /nfs/dbraw/zinc/19/94/37/986199437.db2.gz XZMSTYINNXUUSS-UHFFFAOYSA-N -1 0 335.319 3.568 20 0 EHADRM CCOc1c(Cl)cccc1NC(=O)NC(CC)(CC)CC(=O)[O-] ZINC001596992961 986279507 /nfs/dbraw/zinc/27/95/07/986279507.db2.gz QYIUBVSFSJWOKS-UHFFFAOYSA-N -1 0 342.823 3.894 20 0 EHADRM CCOc1cc(Br)c(F)cc1N[C@H](C)[C@@H]1C[C@H]1C(=O)[O-] ZINC001596993783 986289444 /nfs/dbraw/zinc/28/94/44/986289444.db2.gz YNWHNOVWANQLAC-HRDYMLBCSA-N -1 0 346.196 3.508 20 0 EHADRM C[C@@H](C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21)c1ccc(Cl)cc1 ZINC001589346842 986290911 /nfs/dbraw/zinc/29/09/11/986290911.db2.gz WODZFADTNFSNCC-IAQYHMDHSA-N -1 0 329.783 3.659 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N(C)c1cccc(C)c1 ZINC001597014597 986362153 /nfs/dbraw/zinc/36/21/53/986362153.db2.gz HRBFMVAXSGLHIW-UHFFFAOYSA-N -1 0 328.368 3.760 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N(CC1CC1)CC1CCC1 ZINC001597015114 986364469 /nfs/dbraw/zinc/36/44/69/986364469.db2.gz MAZCPCXAAXVAOJ-UHFFFAOYSA-N -1 0 346.427 3.828 20 0 EHADRM C[C@@H](C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001589368483 986400075 /nfs/dbraw/zinc/40/00/75/986400075.db2.gz BJAQGZBZYBXJGO-RVZJWNSFSA-N -1 0 335.831 3.547 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC001597022281 986420084 /nfs/dbraw/zinc/42/00/84/986420084.db2.gz QOQCBABINGXRAE-VNHYZAJKSA-N -1 0 346.427 3.874 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1cc(F)ccc1CC ZINC001597022994 986426694 /nfs/dbraw/zinc/42/66/94/986426694.db2.gz SVRPSLVDLUSMRE-UHFFFAOYSA-N -1 0 331.343 3.737 20 0 EHADRM C[C@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1)C(C)(F)F ZINC001589380920 986460888 /nfs/dbraw/zinc/46/08/88/986460888.db2.gz JOAARHGVUQKXJY-BXUZGUMPSA-N -1 0 341.398 3.907 20 0 EHADRM C[C@@H]1COc2ccccc2[C@@H]1OC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001594607806 986588138 /nfs/dbraw/zinc/58/81/38/986588138.db2.gz NUZDURMXPBNTHI-FZKQIMNGSA-N -1 0 332.396 3.725 20 0 EHADRM C[C@@H]1CSC(S[C@@H](C(=O)[O-])c2ccccc2Br)=N1 ZINC001594609591 986596454 /nfs/dbraw/zinc/59/64/54/986596454.db2.gz HZXPWGJAGQQMFF-GMSGAONNSA-N -1 0 346.271 3.799 20 0 EHADRM C[C@H](C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21)C1CCCC1 ZINC001589407584 986599861 /nfs/dbraw/zinc/59/98/61/986599861.db2.gz VMBMTMNYEUAZGW-SUMWQHHRSA-N -1 0 329.440 3.747 20 0 EHADRM CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc3ccccc3c2)o1 ZINC001597100631 986707604 /nfs/dbraw/zinc/70/76/04/986707604.db2.gz AMGJRSRYODXVGF-GOSISDBHSA-N -1 0 325.364 3.747 20 0 EHADRM CCOc1ccc(Cl)c(NC(=O)/C=C\c2cc(C(=O)[O-])co2)c1 ZINC001597106238 986746342 /nfs/dbraw/zinc/74/63/42/986746342.db2.gz LCYGJXSROINZPG-XQRVVYSFSA-N -1 0 335.743 3.682 20 0 EHADRM C[C@@H](C(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1)c1cccnc1 ZINC001589444048 986794213 /nfs/dbraw/zinc/79/42/13/986794213.db2.gz IAQINFKAOSCYBW-SNVBAGLBSA-N -1 0 345.424 3.636 20 0 EHADRM CCOc1ccc(NCc2cc(C(=O)[O-])c3n2CCCC3)cc1F ZINC001597122883 986821341 /nfs/dbraw/zinc/82/13/41/986821341.db2.gz HXPLJJPKCSRGPW-UHFFFAOYSA-N -1 0 332.375 3.673 20 0 EHADRM C[C@H](C(=O)Nc1nc(CCCC(=O)[O-])cs1)[C@H](C)C(C)(C)C ZINC001589448458 986823345 /nfs/dbraw/zinc/82/33/45/986823345.db2.gz KVHFBIASMUZPOW-QWRGUYRKSA-N -1 0 326.462 3.807 20 0 EHADRM C[C@@H](C(=O)Nc1nc(CCCC(=O)[O-])cs1)[C@H](C)C(C)(C)C ZINC001589448457 986823358 /nfs/dbraw/zinc/82/33/58/986823358.db2.gz KVHFBIASMUZPOW-MNOVXSKESA-N -1 0 326.462 3.807 20 0 EHADRM CCOc1ccc2cc(C(=O)Nc3ccc(C(=O)[O-])s3)[nH]c2c1 ZINC001597143782 986900879 /nfs/dbraw/zinc/90/08/79/986900879.db2.gz JRKRABWXKPRQGW-UHFFFAOYSA-N -1 0 330.365 3.579 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Nc1ccc2ccccc2n1)c1ccccc1 ZINC001589458346 986902470 /nfs/dbraw/zinc/90/24/70/986902470.db2.gz LTYXXFZVSCRYCW-ACJLOTCBSA-N -1 0 349.390 3.818 20 0 EHADRM CCOc1cccc(C(=O)N(c2ccccc2C(=O)[O-])C2CCC2)c1 ZINC001597145585 986907120 /nfs/dbraw/zinc/90/71/20/986907120.db2.gz INQFEXYFJPUMHY-UHFFFAOYSA-N -1 0 339.391 3.983 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(F)c2occc21)c1ccccc1 ZINC001589461927 986913995 /nfs/dbraw/zinc/91/39/95/986913995.db2.gz IPMYYJKXWWJWPD-BDJLRTHQSA-N -1 0 341.338 3.764 20 0 EHADRM CCOc1cccc(/C=C\C(=O)O[C@H](C)c2cc(C(=O)[O-])co2)c1 ZINC001597150557 986927005 /nfs/dbraw/zinc/92/70/05/986927005.db2.gz VECCNUSXGIDARA-QDZRJHCZSA-N -1 0 330.336 3.694 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)C[C@@H](c1ccccc1)C(F)(F)F)C1CCC1 ZINC001589470999 986958878 /nfs/dbraw/zinc/95/88/78/986958878.db2.gz FMBGVWBYLSCXSE-RISCZKNCSA-N -1 0 343.345 3.577 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)c1ccc(-c2cccs2)s1)C1CCC1 ZINC001589476402 986975446 /nfs/dbraw/zinc/97/54/46/986975446.db2.gz BTEFNWSZAOPNTB-JTQLQIEISA-N -1 0 335.450 3.944 20 0 EHADRM C/C=C/C[C@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])cnc2Cl)C1 ZINC001594685453 987053890 /nfs/dbraw/zinc/05/38/90/987053890.db2.gz BZHLEYSGYANRJL-VUDBWIFFSA-N -1 0 337.807 3.643 20 0 EHADRM C/C=C\COc1cccc(CC(=O)Nc2cc(C(=O)[O-])sc2C)c1 ZINC001594688970 987072029 /nfs/dbraw/zinc/07/20/29/987072029.db2.gz KHULMVNJPTWAHS-ARJAWSKDSA-N -1 0 345.420 3.891 20 0 EHADRM CCC(=CC(=O)N[C@@H](C[C@H]1CCCc2ccccc21)C(=O)[O-])CC ZINC001594690714 987083232 /nfs/dbraw/zinc/08/32/32/987083232.db2.gz IUCPVCRWMCIQNY-AEFFLSMTSA-N -1 0 329.440 3.812 20 0 EHADRM CC/C(=C\C(=O)N(CC(C)C)C(C)(C)C(=O)[O-])c1ccc(OC)cc1 ZINC001594691294 987089937 /nfs/dbraw/zinc/08/99/37/987089937.db2.gz IOCPBWNCGYANPV-NTCAYCPXSA-N -1 0 347.455 3.836 20 0 EHADRM CCC(=CC(=O)Nc1[nH]c(C(=O)[O-])cc1C(C)=O)c1ccc(C)cc1 ZINC001594691404 987090600 /nfs/dbraw/zinc/09/06/00/987090600.db2.gz UHTADKGZMOPFFL-UKTHLTGXSA-N -1 0 340.379 3.656 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NC[C@@H]2CC(C)(C)OC2(C)C)cc1 ZINC001589512263 987148548 /nfs/dbraw/zinc/14/85/48/987148548.db2.gz JGAQBKCWKIUMJF-OCCSQVGLSA-N -1 0 348.443 3.590 20 0 EHADRM CCC(=O)Nc1cccc(C(=O)Oc2cc(Cl)ccc2C(=O)[O-])c1 ZINC001594715260 987184334 /nfs/dbraw/zinc/18/43/34/987184334.db2.gz FAXONBUCFSXWGI-UHFFFAOYSA-N -1 0 347.754 3.606 20 0 EHADRM C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC001589531233 987200643 /nfs/dbraw/zinc/20/06/43/987200643.db2.gz CBLGUBNNYBVIJI-RYUDHWBXSA-N -1 0 347.798 3.934 20 0 EHADRM CC[C@@H](C(=O)N[C@@](C)(CC)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001594728531 987234658 /nfs/dbraw/zinc/23/46/58/987234658.db2.gz GNAIDYXDYQLSTG-CJNGLKHVSA-N -1 0 345.361 3.959 20 0 EHADRM CC[C@H](C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-])c1ccc(F)cc1 ZINC001594733933 987256373 /nfs/dbraw/zinc/25/63/73/987256373.db2.gz IGCPKJLPWXVEKV-WBVHZDCISA-N -1 0 335.419 3.717 20 0 EHADRM CC[C@H](C(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1)c1ccc(F)cc1 ZINC001594734212 987259375 /nfs/dbraw/zinc/25/93/75/987259375.db2.gz PSUOHSVPUTWWHU-HNAYVOBHSA-N -1 0 335.419 3.859 20 0 EHADRM CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001597258203 987266527 /nfs/dbraw/zinc/26/65/27/987266527.db2.gz HXNSIFFFHXOMIL-GJZGRUSLSA-N -1 0 336.457 3.879 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N(Cc1ccccc1)[C@@H](C)c1ccccc1 ZINC001594739957 987284519 /nfs/dbraw/zinc/28/45/19/987284519.db2.gz DSSANOZFOOICRM-YJBOKZPZSA-N -1 0 325.408 3.887 20 0 EHADRM CCSCc1ccc(N[C@H]2CCCn3nc(C(=O)[O-])cc32)cc1 ZINC001597265095 987293689 /nfs/dbraw/zinc/29/36/89/987293689.db2.gz HOXJAFDHDNLNDS-AWEZNQCLSA-N -1 0 331.441 3.781 20 0 EHADRM CCSCc1ccccc1C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC001597267779 987305274 /nfs/dbraw/zinc/30/52/74/987305274.db2.gz PEXJEFFSJYNWFV-QGZVFWFLSA-N -1 0 349.496 3.951 20 0 EHADRM CCSc1ccc(C(=O)N(CCC(=O)[O-])c2ccccc2C)cn1 ZINC001597270988 987315376 /nfs/dbraw/zinc/31/53/76/987315376.db2.gz OJRJFCDFWXVRPF-UHFFFAOYSA-N -1 0 344.436 3.624 20 0 EHADRM CCSc1ccc([C@@H](C)NC(=O)Nc2cncc(C(=O)[O-])c2)cc1 ZINC001597271039 987316383 /nfs/dbraw/zinc/31/63/83/987316383.db2.gz QXOYAFGSAFRQHE-LLVKDONJSA-N -1 0 345.424 3.775 20 0 EHADRM CCSc1cccc(-c2noc(-c3cccc(C(=O)[O-])n3)n2)c1 ZINC001597272757 987323946 /nfs/dbraw/zinc/32/39/46/987323946.db2.gz KXJGXGLHICVXRS-UHFFFAOYSA-N -1 0 327.365 3.609 20 0 EHADRM CCSc1ccc(CNC(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC001597273457 987328917 /nfs/dbraw/zinc/32/89/17/987328917.db2.gz WARCKJMASSOELW-UHFFFAOYSA-N -1 0 348.399 3.958 20 0 EHADRM CCSc1cccc(F)c1NC(=O)NCc1ccoc1C(=O)[O-] ZINC001597277492 987336004 /nfs/dbraw/zinc/33/60/04/987336004.db2.gz SBYWPWKDWHYDRY-UHFFFAOYSA-N -1 0 338.360 3.551 20 0 EHADRM CCSc1ccccc1C(=O)Oc1ccc(C(=O)[O-])cc1OC ZINC001597279099 987339320 /nfs/dbraw/zinc/33/93/20/987339320.db2.gz CSUJXFAEEXWZEJ-UHFFFAOYSA-N -1 0 332.377 3.725 20 0 EHADRM CCSc1ccccc1C(=O)N1C[C@H](C(=O)[O-])Cc2ccccc21 ZINC001597280049 987348646 /nfs/dbraw/zinc/34/86/46/987348646.db2.gz VYCZFSIREBELLD-CQSZACIVSA-N -1 0 341.432 3.702 20 0 EHADRM CC(C)(C(=O)Nc1cccc(C(=O)[O-])c1Cl)[C@@H]1CCCCO1 ZINC001589576944 987356131 /nfs/dbraw/zinc/35/61/31/987356131.db2.gz XULPPHOHUUCHHQ-LBPRGKRZSA-N -1 0 325.792 3.572 20 0 EHADRM COCc1cccc(-c2nc(=O)c3snc(-c4ccccc4)c3[n-]2)c1 ZINC000547701693 1015303187 /nfs/dbraw/zinc/30/31/87/1015303187.db2.gz WNDVQXIFKDMZAJ-UHFFFAOYSA-N -1 0 349.415 3.860 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)NC1(C)C(C)(C)C1(C)C)c1ccccc1 ZINC001589593645 987407912 /nfs/dbraw/zinc/40/79/12/987407912.db2.gz IJDOTYKOLDPVLD-AWEZNQCLSA-N -1 0 346.471 3.962 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)/C(F)=C/C2CCCCC2)C1 ZINC001589602721 987436970 /nfs/dbraw/zinc/43/69/70/987436970.db2.gz JDJCPJUWZBDMOW-ADVGAGMGSA-N -1 0 325.424 3.770 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC001597320151 987447679 /nfs/dbraw/zinc/44/76/79/987447679.db2.gz FUFXIORQCJGSJS-SDBXPKJASA-N -1 0 325.817 3.784 20 0 EHADRM CC[C@H](NC(=O)c1cc(F)cc(C(=O)[O-])c1)c1ccc(C)c(F)c1 ZINC001597341871 987480252 /nfs/dbraw/zinc/48/02/52/987480252.db2.gz MEVPWAQPORSGIH-INIZCTEOSA-N -1 0 333.334 3.853 20 0 EHADRM CCc1[nH]c(C(=O)N(CCc2ccccc2)C(C)C)c(C)c1C(=O)[O-] ZINC001597357537 987507439 /nfs/dbraw/zinc/50/74/39/987507439.db2.gz AMSBXCPLMHTGAV-UHFFFAOYSA-N -1 0 342.439 3.677 20 0 EHADRM CCc1[nH]c(C(=O)N2CC[C@@H]([C@H]3CCCC3(C)C)C2)c(C)c1C(=O)[O-] ZINC001597357890 987511541 /nfs/dbraw/zinc/51/15/41/987511541.db2.gz NXLKSCOWFUCDNJ-ZIAGYGMSSA-N -1 0 346.471 3.872 20 0 EHADRM CCc1[nH]c(C(=O)N[C@@H](C)[C@H]2CC3CCC2CC3)c(C)c1C(=O)[O-] ZINC001597364586 987534723 /nfs/dbraw/zinc/53/47/23/987534723.db2.gz WLBDVFWUWAHVOX-GFJIZPEISA-N -1 0 332.444 3.528 20 0 EHADRM CCc1[nH]c(C(=O)Nc2ncccc2-c2ccccc2)c(C)c1C(=O)[O-] ZINC001597374302 987561171 /nfs/dbraw/zinc/56/11/71/987561171.db2.gz JPGVYVZICMYRJE-UHFFFAOYSA-N -1 0 349.390 3.898 20 0 EHADRM CCc1[nH]c(CN2C[C@@H]3CCCCN3c3ccccc32)cc1C(=O)[O-] ZINC001597384965 987591721 /nfs/dbraw/zinc/59/17/21/987591721.db2.gz PCOVZAFLDMEPKS-HNNXBMFYSA-N -1 0 339.439 3.654 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)c2cccc3ncccc32)c1 ZINC001589649806 987594891 /nfs/dbraw/zinc/59/48/91/987594891.db2.gz AFCBRCICSNQZEC-UHFFFAOYSA-N -1 0 335.359 3.816 20 0 EHADRM CCc1[nH]c(CN2CCc3c(Cl)cc(F)cc3C2)cc1C(=O)[O-] ZINC001597386209 987601688 /nfs/dbraw/zinc/60/16/88/987601688.db2.gz FSTKFMXVESPJJE-UHFFFAOYSA-N -1 0 336.794 3.626 20 0 EHADRM CC(C)(C(=O)OCc1ccc(C(=O)[O-])c(Cl)c1)c1ccc(O)cc1 ZINC001589681660 987713234 /nfs/dbraw/zinc/71/32/34/987713234.db2.gz XVHDUVBBLNWSEP-UHFFFAOYSA-N -1 0 348.782 3.765 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC001589702617 987801834 /nfs/dbraw/zinc/80/18/34/987801834.db2.gz NACIPJFVQPRYFT-LBPRGKRZSA-N -1 0 346.349 3.802 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CC[C@H]2CCCC[C@H]2C1 ZINC001597453079 987853243 /nfs/dbraw/zinc/85/32/43/987853243.db2.gz KVHHXYBALRESMB-ZBFHGGJFSA-N -1 0 330.428 3.991 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1CCO[C@@H](CC(C)C)C1 ZINC001597456928 987867480 /nfs/dbraw/zinc/86/74/80/987867480.db2.gz FGTXOBGEHPOPCM-CVEARBPZSA-N -1 0 348.443 3.662 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NC[C@H](C)CC(F)(F)F ZINC001597459286 987884312 /nfs/dbraw/zinc/88/43/12/987884312.db2.gz ZEPIUDNXECFVMC-SECBINFHSA-N -1 0 332.322 3.657 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCc1cccc2ncccc12 ZINC001597460206 987889667 /nfs/dbraw/zinc/88/96/67/987889667.db2.gz UJSKODNVKLGSFE-UHFFFAOYSA-N -1 0 349.390 3.817 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1ccc2scnc2c1 ZINC001597463347 987891719 /nfs/dbraw/zinc/89/17/19/987891719.db2.gz AVUOKNSEOUKGNM-UHFFFAOYSA-N -1 0 326.377 3.809 20 0 EHADRM CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001589727767 987924988 /nfs/dbraw/zinc/92/49/88/987924988.db2.gz BCTKQVBILJOQLM-KOLCDFICSA-N -1 0 340.370 3.999 20 0 EHADRM CC(C)(C)C1CCC(CNC(=O)NCc2cc(C(=O)[O-])co2)CC1 ZINC001589728286 987930427 /nfs/dbraw/zinc/93/04/27/987930427.db2.gz IAVGMQHBWWRXIF-UHFFFAOYSA-N -1 0 336.432 3.630 20 0 EHADRM CS[C@H]1CC[C@H](NC(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)C1 ZINC001599787943 987955745 /nfs/dbraw/zinc/95/57/45/987955745.db2.gz JMLACPKEQGYQMD-CBAPKCEASA-N -1 0 346.811 3.583 20 0 EHADRM CCc1cc2c(ccn(CCc3ccccc3C(=O)[O-])c2=O)s1 ZINC001597489038 988005156 /nfs/dbraw/zinc/00/51/56/988005156.db2.gz VNGNIRLDKZLLJG-UHFFFAOYSA-N -1 0 327.405 3.566 20 0 EHADRM CCc1ccc(C(=O)CCC(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC001597498453 988045268 /nfs/dbraw/zinc/04/52/68/988045268.db2.gz COTAZGLNWVLQLU-GFCCVEGCSA-N -1 0 344.363 3.808 20 0 EHADRM CCc1ccc(C(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)cc1CC ZINC001597498416 988045989 /nfs/dbraw/zinc/04/59/89/988045989.db2.gz BCTQQOWTFVDBCS-UHFFFAOYSA-N -1 0 344.436 3.775 20 0 EHADRM CCc1ccc(C(=O)N2CCCC[C@H]2c2ccc(C(=O)[O-])n2C)cc1 ZINC001597499037 988050175 /nfs/dbraw/zinc/05/01/75/988050175.db2.gz VWHAZTAHMBQDAP-KRWDZBQOSA-N -1 0 340.423 3.653 20 0 EHADRM CCc1ccc(C(=O)N2C[C@H](C(=O)[O-])Cc3ccccc32)cc1CC ZINC001597499098 988052086 /nfs/dbraw/zinc/05/20/86/988052086.db2.gz ZZXLQUHUPGGFBL-GOSISDBHSA-N -1 0 337.419 3.715 20 0 EHADRM CCc1ccc(C(=O)[O-])c(OC(=O)c2occc2Br)c1 ZINC001597506992 988080467 /nfs/dbraw/zinc/08/04/67/988080467.db2.gz QHBQWPDCWAKGAE-UHFFFAOYSA-N -1 0 339.141 3.522 20 0 EHADRM CCc1ccc(C(C)(C)C(=O)Nc2cc(C(=O)[O-])cnc2Cl)cc1 ZINC001597508259 988084967 /nfs/dbraw/zinc/08/49/67/988084967.db2.gz JNHVLUUYZPQMLT-UHFFFAOYSA-N -1 0 346.814 3.912 20 0 EHADRM CSCC[C@@H](OC(=O)CCc1ccc2ccccc2c1)C(=O)[O-] ZINC001599795625 988093611 /nfs/dbraw/zinc/09/36/11/988093611.db2.gz BWNFWIORXAASGH-MRXNPFEDSA-N -1 0 332.421 3.522 20 0 EHADRM CSCCCC(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1 ZINC001599797303 988118262 /nfs/dbraw/zinc/11/82/62/988118262.db2.gz FBRRSDFQRBLXOG-UHFFFAOYSA-N -1 0 328.459 3.581 20 0 EHADRM CCc1ccc([C@H]2CCN(C(=O)c3ccc(C(=O)[O-])s3)C2)cc1 ZINC001597517692 988134161 /nfs/dbraw/zinc/13/41/61/988134161.db2.gz OACISJZDJASKIU-AWEZNQCLSA-N -1 0 329.421 3.638 20 0 EHADRM CCc1ccc(CC)c(NC(=O)NCc2ccc(C(=O)[O-])s2)c1 ZINC001597523617 988160541 /nfs/dbraw/zinc/16/05/41/988160541.db2.gz ZLVODYPFWBUZJI-UHFFFAOYSA-N -1 0 332.425 3.893 20 0 EHADRM CC(C)(C)Cc1csc(NC(=O)/C=C/c2cc(C(=O)[O-])co2)n1 ZINC001589788930 988172670 /nfs/dbraw/zinc/17/26/70/988172670.db2.gz IEGGHYBAHUONMU-SNAWJCMRSA-N -1 0 334.397 3.675 20 0 EHADRM CC(C)(C)N(Cc1ccsc1)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001589796857 988198083 /nfs/dbraw/zinc/19/80/83/988198083.db2.gz XEEXOMKQJYGOQD-FNORWQNLSA-N -1 0 333.409 3.880 20 0 EHADRM CCc1ccc(NC(=O)Nc2cc(C)cc(C(=O)[O-])c2)cc1OC ZINC001597546991 988254415 /nfs/dbraw/zinc/25/44/15/988254415.db2.gz PNFIUPZJNHNOAL-UHFFFAOYSA-N -1 0 328.368 3.908 20 0 EHADRM CCc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)O3)c(C(=O)[O-])c1 ZINC001597550500 988268207 /nfs/dbraw/zinc/26/82/07/988268207.db2.gz GAXSAYVFUPQRPY-NSHDSACASA-N -1 0 325.364 3.523 20 0 EHADRM CCc1ccc(NC(=O)c2cccc(-n3ccc(C)n3)c2)c(C(=O)[O-])c1 ZINC001597550836 988270591 /nfs/dbraw/zinc/27/05/91/988270591.db2.gz NTBOZSSHQHDMJY-UHFFFAOYSA-N -1 0 349.390 3.694 20 0 EHADRM CSc1cc2c(cc1N[C@@H](C)CC(C)(C)CC(=O)[O-])OCCO2 ZINC001599809360 988307570 /nfs/dbraw/zinc/30/75/70/988307570.db2.gz DYTBEEINOJATCV-NSHDSACASA-N -1 0 339.457 3.871 20 0 EHADRM CCc1ccc([C@@H](C)NC(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1 ZINC001597562577 988308222 /nfs/dbraw/zinc/30/82/22/988308222.db2.gz ISXMDBBAKFCJIU-CYBMUJFWSA-N -1 0 342.395 3.595 20 0 EHADRM CCc1ccc2c(c1)CCN2C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001597569545 988335946 /nfs/dbraw/zinc/33/59/46/988335946.db2.gz TXWZUYJTQAFJTC-UHFFFAOYSA-N -1 0 348.402 3.560 20 0 EHADRM CCc1ccc2occ(C(=O)NC3(C(=O)[O-])CCCCCC3)c2c1 ZINC001597570376 988341524 /nfs/dbraw/zinc/34/15/24/988341524.db2.gz GFLCZTMKRAHVIJ-UHFFFAOYSA-N -1 0 329.396 3.903 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)CCOc1ccc(C)cc1C ZINC001597572848 988355489 /nfs/dbraw/zinc/35/54/89/988355489.db2.gz NTLNMMPYFAYXHE-UHFFFAOYSA-N -1 0 341.407 3.972 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)CCc1ncc(C(C)(C)C)o1 ZINC001597573723 988357846 /nfs/dbraw/zinc/35/78/46/988357846.db2.gz VLJIVCKBSPRBFZ-UHFFFAOYSA-N -1 0 344.411 3.804 20 0 EHADRM CSc1ccc(CCCC(=O)N(C)C2(C(=O)[O-])CCCC2)cc1 ZINC001599813001 988371090 /nfs/dbraw/zinc/37/10/90/988371090.db2.gz RWJZRAMZTQQKSZ-UHFFFAOYSA-N -1 0 335.469 3.587 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001599814367 988394199 /nfs/dbraw/zinc/39/41/99/988394199.db2.gz IEVPKEDTNWSLPS-UHFFFAOYSA-N -1 0 335.812 3.941 20 0 EHADRM CSc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1C(=O)[O-] ZINC001599815294 988412899 /nfs/dbraw/zinc/41/28/99/988412899.db2.gz DLAQLTZTJXKBDT-UHFFFAOYSA-N -1 0 340.404 3.769 20 0 EHADRM CCc1cccc(NC(=O)CSCc2cc(C(=O)[O-])c(C)o2)c1 ZINC001597595046 988437396 /nfs/dbraw/zinc/43/73/96/988437396.db2.gz HGGRSJJIFBZVDB-UHFFFAOYSA-N -1 0 333.409 3.721 20 0 EHADRM CSc1ccc(NC(=O)N(C)Cc2ccsc2)cc1C(=O)[O-] ZINC001599817074 988446037 /nfs/dbraw/zinc/44/60/37/988446037.db2.gz QKIMZDFHIDYNPD-UHFFFAOYSA-N -1 0 336.438 3.832 20 0 EHADRM CSc1ccc(NC(=O)N[C@@H](C)CCc2ccco2)cc1C(=O)[O-] ZINC001599818607 988473074 /nfs/dbraw/zinc/47/30/74/988473074.db2.gz WKRNNOWWGFXWKS-NSHDSACASA-N -1 0 348.424 3.843 20 0 EHADRM Fc1ccc2c(c1)[C@H](N=c1[n-]nc(-c3ccccc3)s1)CCO2 ZINC000547709564 1015393085 /nfs/dbraw/zinc/39/30/85/1015393085.db2.gz BCQCAQSSWGACHH-CQSZACIVSA-N -1 0 327.384 3.702 20 0 EHADRM CSc1ccc(NC[C@@H]2C[C@@]2(C)Br)cc1C(=O)[O-] ZINC001599820770 988509720 /nfs/dbraw/zinc/50/97/20/988509720.db2.gz LYOJIWBZHLLFOK-ISVAXAHUSA-N -1 0 330.247 3.692 20 0 EHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC001597621336 988547021 /nfs/dbraw/zinc/54/70/21/988547021.db2.gz KERMEYWTDAEIFH-GBESFXJTSA-N -1 0 349.430 3.958 20 0 EHADRM CSc1ccccc1C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001599823231 988551351 /nfs/dbraw/zinc/55/13/51/988551351.db2.gz GXMKJZUHUFIRAG-UHFFFAOYSA-N -1 0 326.377 3.840 20 0 EHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1c2cccc(C)c2C[C@@H]1C(=O)[O-] ZINC001597622253 988558517 /nfs/dbraw/zinc/55/85/17/988558517.db2.gz XKXKOEVPWNFEQM-NLWGTHIKSA-N -1 0 349.430 3.703 20 0 EHADRM CCc1ccsc1C(=O)OCc1c(F)cc(C(=O)[O-])cc1F ZINC001597626159 988576675 /nfs/dbraw/zinc/57/66/75/988576675.db2.gz OOBJRKIVJPIJLR-UHFFFAOYSA-N -1 0 326.320 3.644 20 0 EHADRM CSc1cccnc1C(=O)Nc1c(C(=O)[O-])ccc2ccccc21 ZINC001599825821 988596520 /nfs/dbraw/zinc/59/65/20/988596520.db2.gz RGJJFQKUAZAIJG-UHFFFAOYSA-N -1 0 338.388 3.907 20 0 EHADRM CCc1nc(C(C)C)ccc1C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001597652015 988695682 /nfs/dbraw/zinc/69/56/82/988695682.db2.gz HAQNGLDCNBUOQJ-UHFFFAOYSA-N -1 0 346.471 3.922 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)Nc1cccc(Sc2ccccc2)c1 ZINC001599832623 988696582 /nfs/dbraw/zinc/69/65/82/988696582.db2.gz KLMTVDSOFLVFLX-LBPRGKRZSA-N -1 0 330.409 3.823 20 0 EHADRM CCc1nc([C@@H](C)N[C@@H](C)c2ccccc2OCC(=O)[O-])cs1 ZINC001597657134 988714613 /nfs/dbraw/zinc/71/46/13/988714613.db2.gz XCVLDNMTIGIBJH-NWDGAFQWSA-N -1 0 334.441 3.581 20 0 EHADRM C[C@@H](NC(=O)/C=C\c1cc(C(=O)[O-])co1)c1cc(Cl)ccc1F ZINC001599838005 988775939 /nfs/dbraw/zinc/77/59/39/988775939.db2.gz BCYYWRBNPUHTLR-AZVKUDOFSA-N -1 0 337.734 3.661 20 0 EHADRM C[C@@H](NC(=O)NCC1(CC(=O)[O-])CCCC1)c1ccc(Cl)cc1 ZINC001599839679 988804503 /nfs/dbraw/zinc/80/45/03/988804503.db2.gz LNCNORWFHLERFH-GFCCVEGCSA-N -1 0 338.835 3.735 20 0 EHADRM CCc1nc2sccc2c(NCc2ccc(Cl)c(C(=O)[O-])n2)n1 ZINC001597685670 988842195 /nfs/dbraw/zinc/84/21/95/988842195.db2.gz VQCIVYYCBVMOKH-UHFFFAOYSA-N -1 0 348.815 3.612 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001599847172 988953496 /nfs/dbraw/zinc/95/34/96/988953496.db2.gz IYZCQNSONLSIJL-TVRMLOFPSA-N -1 0 333.771 3.864 20 0 EHADRM CCc1nn(C)cc1N[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001597722951 989004909 /nfs/dbraw/zinc/00/49/09/989004909.db2.gz BGGPDTOADLOKNH-CYBMUJFWSA-N -1 0 328.199 3.527 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C[C@H]1CC(=O)[O-] ZINC001599859326 989142282 /nfs/dbraw/zinc/14/22/82/989142282.db2.gz GDQUKMPUUBEJLJ-HTQZYQBOSA-N -1 0 349.189 3.707 20 0 EHADRM CCc1oc(C(=O)[O-])cc1Cn1nc(-c2ccccc2)nc1Cl ZINC001597773304 989246288 /nfs/dbraw/zinc/24/62/88/989246288.db2.gz VHLHGEFIWXHTPS-UHFFFAOYSA-N -1 0 331.759 3.500 20 0 EHADRM CCc1oc(CN(C)Cc2nc(-c3ccccc3)c[nH]2)cc1C(=O)[O-] ZINC001597792717 989334597 /nfs/dbraw/zinc/33/45/97/989334597.db2.gz HFJZBONSLCRJRV-UHFFFAOYSA-N -1 0 339.395 3.562 20 0 EHADRM CCc1oc(CNc2ccccc2-n2nccc2C)cc1C(=O)[O-] ZINC001597805138 989410494 /nfs/dbraw/zinc/41/04/94/989410494.db2.gz SQMZLUQNIHWCPR-UHFFFAOYSA-N -1 0 325.368 3.646 20 0 EHADRM CCc1oc(CNCc2csc(-c3ccco3)n2)cc1C(=O)[O-] ZINC001597805586 989414487 /nfs/dbraw/zinc/41/44/87/989414487.db2.gz IYFNMFICGKWDND-UHFFFAOYSA-N -1 0 332.381 3.547 20 0 EHADRM CCc1oc2ccccc2c1C(=O)N1c2cccc(C)c2C[C@@H]1C(=O)[O-] ZINC001597808065 989422652 /nfs/dbraw/zinc/42/26/52/989422652.db2.gz RKIBETXMACUYMB-MRXNPFEDSA-N -1 0 349.386 3.960 20 0 EHADRM CCn1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)c1C ZINC001597901863 989774414 /nfs/dbraw/zinc/77/44/14/989774414.db2.gz APPMDBYWYOTEPC-GOSISDBHSA-N -1 0 336.391 3.525 20 0 EHADRM CC[C@@H](NC(=O)CC1(CC(=O)[O-])CCCCC1)c1c(C)noc1C ZINC000339677898 1015506739 /nfs/dbraw/zinc/50/67/39/1015506739.db2.gz FEAYQXKNDAXMOY-CQSZACIVSA-N -1 0 336.432 3.674 20 0 EHADRM CC(C)(C)Oc1cccc(CCC(=O)Nc2ccsc2C(=O)[O-])n1 ZINC001590416043 989955016 /nfs/dbraw/zinc/95/50/16/989955016.db2.gz GHNSPHLCWYMGSU-UHFFFAOYSA-N -1 0 348.424 3.590 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)Oc2ccc(CC(=O)[O-])cc2F)c1 ZINC001590417220 989958978 /nfs/dbraw/zinc/95/89/78/989958978.db2.gz YPUZVOABYRNBDD-UHFFFAOYSA-N -1 0 346.354 3.849 20 0 EHADRM CC(C)(C)c1ccc(CC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC001590479928 990058160 /nfs/dbraw/zinc/05/81/60/990058160.db2.gz NBYLPCHJAKRIJV-SZMVWBNQSA-N -1 0 343.467 3.771 20 0 EHADRM CC(C)(C)c1cccc(OCCCN2CC(F)(F)C[C@@H]2C(=O)[O-])c1 ZINC001590499530 990113260 /nfs/dbraw/zinc/11/32/60/990113260.db2.gz YDQDPTPGQYMWNO-OAHLLOKOSA-N -1 0 341.398 3.547 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001590505620 990121279 /nfs/dbraw/zinc/12/12/79/990121279.db2.gz MEMTXKNDCQPOLM-UONOGXRCSA-N -1 0 330.428 3.559 20 0 EHADRM CC(C)(C)c1ccnc(SCc2nc3cc(C(=O)[O-])ccc3[nH]2)n1 ZINC001590515656 990128966 /nfs/dbraw/zinc/12/89/66/990128966.db2.gz YFBLGWNWDOFYII-UHFFFAOYSA-N -1 0 342.424 3.641 20 0 EHADRM CN(C(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1)c1ccccc1C(=O)[O-] ZINC001598002889 990137923 /nfs/dbraw/zinc/13/79/23/990137923.db2.gz CIIAGTGOMDDHEK-HUUCEWRRSA-N -1 0 327.355 3.681 20 0 EHADRM CC(C)(C)c1nc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)co1 ZINC001590538366 990159847 /nfs/dbraw/zinc/15/98/47/990159847.db2.gz CPBDOPBKACVECI-CYBMUJFWSA-N -1 0 340.782 3.680 20 0 EHADRM CC(C)(C)c1nc2ccc(NC(=O)c3ccc(C(=O)[O-])[nH]3)cc2s1 ZINC001590545352 990180443 /nfs/dbraw/zinc/18/04/43/990180443.db2.gz FMHAIAHLGDQTFU-UHFFFAOYSA-N -1 0 343.408 3.872 20 0 EHADRM CN(C(=O)CC[C@H]1CCc2ccccc21)C1(C(=O)[O-])CCCCC1 ZINC001598013335 990192750 /nfs/dbraw/zinc/19/27/50/990192750.db2.gz VAVCJAOMXMPFPC-MRXNPFEDSA-N -1 0 329.440 3.743 20 0 EHADRM CC(C)(C)n1cnnc1S[C@H](C(=O)[O-])c1ccccc1Cl ZINC001590602751 990261717 /nfs/dbraw/zinc/26/17/17/990261717.db2.gz DGBJSWPCHCTTHJ-NSHDSACASA-N -1 0 325.821 3.605 20 0 EHADRM CC(C)(CC(=O)N[C@H](C(=O)[O-])c1ccc(O)cc1)C1CCCCC1 ZINC001590620901 990298358 /nfs/dbraw/zinc/29/83/58/990298358.db2.gz KPJAJVKVPRLEGY-KRWDZBQOSA-N -1 0 333.428 3.631 20 0 EHADRM CC(C)(CC(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21)C1CCCCC1 ZINC001590621270 990300851 /nfs/dbraw/zinc/30/08/51/990300851.db2.gz XWNGWTZMAKUVHM-CQSZACIVSA-N -1 0 347.459 3.529 20 0 EHADRM CN(C(=O)Nc1ccc2occc2c1)c1ccc(OCC(=O)[O-])cc1 ZINC001598060337 990328949 /nfs/dbraw/zinc/32/89/49/990328949.db2.gz NIAPQAVTBDOQKI-UHFFFAOYSA-N -1 0 340.335 3.565 20 0 EHADRM CN(C(=O)c1cc2sccc2c(O)c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598079120 990391877 /nfs/dbraw/zinc/39/18/77/990391877.db2.gz RVXUQDXHDWFCBT-MRXNPFEDSA-N -1 0 341.388 3.505 20 0 EHADRM CN(C(=O)c1cc2ccccc2cc1F)[C@H](C(=O)[O-])c1ccccc1 ZINC001598082249 990399510 /nfs/dbraw/zinc/39/95/10/990399510.db2.gz QLWJSLRJXLDSLD-SFHVURJKSA-N -1 0 337.350 3.877 20 0 EHADRM CN(C(=O)c1ccc(C(F)F)c(F)c1)C1(C(=O)[O-])CCCCC1 ZINC001598082785 990402342 /nfs/dbraw/zinc/40/23/42/990402342.db2.gz IFNAXYZAWCXNRA-UHFFFAOYSA-N -1 0 329.318 3.623 20 0 EHADRM CN(C(=O)c1ccc(Cl)c2occc21)[C@H](C(=O)[O-])c1ccccc1 ZINC001598085588 990414736 /nfs/dbraw/zinc/41/47/36/990414736.db2.gz LKLMKNZKUYYJTA-HNNXBMFYSA-N -1 0 343.766 3.984 20 0 EHADRM CC(C)(CNC(=O)N[C@H]1CCC[C@H](c2ccccc2)C1)CC(=O)[O-] ZINC001590723768 990506485 /nfs/dbraw/zinc/50/64/85/990506485.db2.gz DMGJFDSCWAJQFU-HOTGVXAUSA-N -1 0 332.444 3.513 20 0 EHADRM CC(C)(CNC(=O)NCc1ccc(C(=O)[O-])cc1F)C1CCCC1 ZINC001590726166 990513936 /nfs/dbraw/zinc/51/39/36/990513936.db2.gz LFAIIAKTBJCMEW-UHFFFAOYSA-N -1 0 336.407 3.540 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)NCC(C)(C)CC(=O)[O-])cc1 ZINC001590734458 990529971 /nfs/dbraw/zinc/52/99/71/990529971.db2.gz VVPPJXMIKBKOEX-UHFFFAOYSA-N -1 0 334.416 3.538 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)CC(F)F ZINC001590734518 990530581 /nfs/dbraw/zinc/53/05/81/990530581.db2.gz ZFODBIZNEJVLFG-UHFFFAOYSA-N -1 0 334.750 3.841 20 0 EHADRM CN(C)C(=O)CCCCSc1cc2ccccc2cc1C(=O)[O-] ZINC001598124432 990551956 /nfs/dbraw/zinc/55/19/56/990551956.db2.gz HXZRHMZZVZZBSW-UHFFFAOYSA-N -1 0 331.437 3.889 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC001590822115 990663348 /nfs/dbraw/zinc/66/33/48/990663348.db2.gz VKKYUXIZCFFDAY-KRWDZBQOSA-N -1 0 331.456 3.795 20 0 EHADRM CC(C)(NC(=O)Nc1ccc(CC(=O)[O-])c(F)c1)c1ccccc1 ZINC001590855506 990740049 /nfs/dbraw/zinc/74/00/49/990740049.db2.gz BSHOEHDKGQQBQS-UHFFFAOYSA-N -1 0 330.359 3.510 20 0 EHADRM CC(C)(NCc1ccc(C(=O)[O-])cn1)c1nc2cc(Cl)ccc2o1 ZINC001590870435 990772700 /nfs/dbraw/zinc/77/27/00/990772700.db2.gz HHNVEWCZSZDGNT-UHFFFAOYSA-N -1 0 345.786 3.599 20 0 EHADRM CC(C)(c1ccc(C(=O)O[C@H](C(=O)[O-])C2CC2)cc1)C(F)(F)F ZINC001590906860 990871512 /nfs/dbraw/zinc/87/15/12/990871512.db2.gz HNAQQSLIWWJGPA-LBPRGKRZSA-N -1 0 330.302 3.547 20 0 EHADRM CC(C)[C@@H](C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O)c1cccnc1 ZINC001590957499 991041105 /nfs/dbraw/zinc/04/11/05/991041105.db2.gz USQVVLWHRMRKEB-CQSZACIVSA-N -1 0 348.786 3.517 20 0 EHADRM CC(C)[C@@H](CC(=O)OCc1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC001590975377 991117586 /nfs/dbraw/zinc/11/75/86/991117586.db2.gz AZMVFMWFZWWOCZ-QGZVFWFLSA-N -1 0 327.380 3.653 20 0 EHADRM COc1ccccc1-c1nc(CSc2ncccc2C(=O)[O-])co1 ZINC001599694856 991133188 /nfs/dbraw/zinc/13/31/88/991133188.db2.gz BVTUZYLHQHMXPO-UHFFFAOYSA-N -1 0 342.376 3.736 20 0 EHADRM CC(C)[C@H](CCc1ccccc1)C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001590980715 991134243 /nfs/dbraw/zinc/13/42/43/991134243.db2.gz JESYJLZJBLABDL-KRWDZBQOSA-N -1 0 340.423 3.552 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)OCc1ccccc1CC(=O)[O-] ZINC001599697340 991167493 /nfs/dbraw/zinc/16/74/93/991167493.db2.gz CXMGEPHJGVNMSW-CQSZACIVSA-N -1 0 342.391 3.559 20 0 EHADRM COc1ccccc1C(C)(C)CNc1ncc(C(=O)[O-])cc1Cl ZINC001599698423 991183235 /nfs/dbraw/zinc/18/32/35/991183235.db2.gz ZMPFXYFZXHAGCT-UHFFFAOYSA-N -1 0 334.803 3.832 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)C(=O)Nc1cnc(C(=O)[O-])c(Cl)c1 ZINC001590994192 991217727 /nfs/dbraw/zinc/21/77/27/991217727.db2.gz WOBHNYQVDVQGOH-AWEZNQCLSA-N -1 0 346.814 3.887 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)NC(=O)Nc1cc(C(=O)[O-])cs1 ZINC001590994216 991217807 /nfs/dbraw/zinc/21/78/07/991217807.db2.gz XLKDUDAJBHZTOV-AWEZNQCLSA-N -1 0 332.425 3.835 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001590994209 991218145 /nfs/dbraw/zinc/21/81/45/991218145.db2.gz XBUBUTKHQORNMP-QGZVFWFLSA-N -1 0 344.386 3.913 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)NCC1CCCCCC1 ZINC001598298579 991233965 /nfs/dbraw/zinc/23/39/65/991233965.db2.gz OEZDBAZZTYKNFQ-UHFFFAOYSA-N -1 0 333.432 3.543 20 0 EHADRM CC(C)[C@@H](NC(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)[O-] ZINC001590998006 991250947 /nfs/dbraw/zinc/25/09/47/991250947.db2.gz XVNUUTNLSRQJFF-DLBZAZTESA-N -1 0 345.826 3.697 20 0 EHADRM COc1ccccc1/C=C(\C(=O)O[C@H](C)CC(=O)[O-])c1ccccc1 ZINC001599705555 991287578 /nfs/dbraw/zinc/28/75/78/991287578.db2.gz LMPYMXXAHCYNPR-CPZHOGDASA-N -1 0 340.375 3.642 20 0 EHADRM COc1ccccc1CCCN1CCCc2c(C(=O)[O-])cccc21 ZINC001599708396 991327938 /nfs/dbraw/zinc/32/79/38/991327938.db2.gz ANKIJJLHDQJCOU-UHFFFAOYSA-N -1 0 325.408 3.779 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)O[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001599709408 991345316 /nfs/dbraw/zinc/34/53/16/991345316.db2.gz RNGYVZGVIGHTLD-OLZOCXBDSA-N -1 0 346.379 3.860 20 0 EHADRM CN(C)c1cccc2sc(C(=O)OCc3ccc(C(=O)[O-])o3)cc21 ZINC001598342070 991406916 /nfs/dbraw/zinc/40/69/16/991406916.db2.gz FFAWDASOWVGJIB-UHFFFAOYSA-N -1 0 345.376 3.616 20 0 EHADRM CC(C)[C@H](OC(=O)c1cnc(-c2ccccc2Cl)s1)C(=O)[O-] ZINC001591045979 991430699 /nfs/dbraw/zinc/43/06/99/991430699.db2.gz XACFZIOPEOQTOQ-LBPRGKRZSA-N -1 0 339.800 3.730 20 0 EHADRM CC(C)[C@@]1(C)C[C@@H]1NC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001591060943 991495665 /nfs/dbraw/zinc/49/56/65/991495665.db2.gz BUGSPEDBYVOQPR-XHDPSFHLSA-N -1 0 328.771 3.733 20 0 EHADRM CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)c1csc(C(=O)[O-])n1 ZINC001591094429 991672621 /nfs/dbraw/zinc/67/26/21/991672621.db2.gz LBFLGVJHINMSFG-DOMZBBRYSA-N -1 0 344.436 3.531 20 0 EHADRM CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)CC(C)(C)CC(=O)[O-] ZINC001591094439 991672683 /nfs/dbraw/zinc/67/26/83/991672683.db2.gz LFZHZVXBOPGENY-DNVCBOLYSA-N -1 0 331.456 3.953 20 0 EHADRM COc1nsc(CNc2ccc(-c3nccs3)cc2)c1C(=O)[O-] ZINC001599741082 991857276 /nfs/dbraw/zinc/85/72/76/991857276.db2.gz CIUFIPQHBINXFI-UHFFFAOYSA-N -1 0 347.421 3.586 20 0 EHADRM CC(C)CC(CC(C)C)NC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001591143464 991870872 /nfs/dbraw/zinc/87/08/72/991870872.db2.gz SVIOKKFEBZUQLH-UHFFFAOYSA-N -1 0 338.423 3.784 20 0 EHADRM CN(CC1CCCCC1)C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001598455215 991928512 /nfs/dbraw/zinc/92/85/12/991928512.db2.gz MYGPSCVINQPYNC-UHFFFAOYSA-N -1 0 341.411 3.977 20 0 EHADRM CC(C)C[C@H](NC(=O)c1cc(C(=O)[O-])ccn1)c1ccc(Cl)cc1 ZINC001591179061 991979136 /nfs/dbraw/zinc/97/91/36/991979136.db2.gz YSOLPLIHNVXIDM-HNNXBMFYSA-N -1 0 346.814 3.950 20 0 EHADRM CC(C)C[C@@H](OC(=O)Cc1ccccc1C(=O)[O-])c1ccccn1 ZINC001591188128 991992445 /nfs/dbraw/zinc/99/24/45/991992445.db2.gz ITWDRPGUKAOFEO-QGZVFWFLSA-N -1 0 327.380 3.653 20 0 EHADRM CC(C)CC[C@H](NC(=O)NC[C@@H](CC(=O)[O-])C1CC1)C(C)(C)C ZINC001591221802 992089626 /nfs/dbraw/zinc/08/96/26/992089626.db2.gz PAKIKKXLDZQQJY-CABCVRRESA-N -1 0 326.481 3.637 20 0 EHADRM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001591223374 992096867 /nfs/dbraw/zinc/09/68/67/992096867.db2.gz YCKJBZRXXZFQIJ-SJORKVTESA-N -1 0 338.492 3.878 20 0 EHADRM CC(C)CCCCC(=O)N1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001591229015 992107800 /nfs/dbraw/zinc/10/78/00/992107800.db2.gz KVEJKMLJLQWCJO-ZDUSSCGKSA-N -1 0 338.473 3.764 20 0 EHADRM CC(C)CCCC(=O)Oc1cc(Br)cc(C(=O)[O-])c1 ZINC001591229241 992109945 /nfs/dbraw/zinc/10/99/45/992109945.db2.gz OBEHDYFRJQWGNG-UHFFFAOYSA-N -1 0 329.190 3.879 20 0 EHADRM CC(C)CCC[C@@H](C)NC(=O)CSCc1ccccc1C(=O)[O-] ZINC001591229861 992114320 /nfs/dbraw/zinc/11/43/20/992114320.db2.gz XQQUPGDRBDYIEL-CQSZACIVSA-N -1 0 337.485 3.949 20 0 EHADRM CC(C)CCCCC(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001591237075 992121905 /nfs/dbraw/zinc/12/19/05/992121905.db2.gz XMCRLCDFCHOZCC-UHFFFAOYSA-N -1 0 325.430 3.674 20 0 EHADRM CC(C)CCOC(=O)Oc1ccc(C(=O)[O-])cc1Br ZINC001591251792 992150606 /nfs/dbraw/zinc/15/06/06/992150606.db2.gz QBIBLKVPHJWCRS-UHFFFAOYSA-N -1 0 331.162 3.709 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)cc1 ZINC001591260206 992166603 /nfs/dbraw/zinc/16/66/03/992166603.db2.gz HOGNCXDVJPCYIB-HUUCEWRRSA-N -1 0 348.443 3.686 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)NCC(C)(C)CC(=O)[O-])cc1 ZINC001591261286 992173153 /nfs/dbraw/zinc/17/31/53/992173153.db2.gz ZULCNJZLGIVQGL-UHFFFAOYSA-N -1 0 336.432 3.734 20 0 EHADRM CC(C)CN(C(=O)c1ccccc1C(F)(F)F)C(C)(C)C(=O)[O-] ZINC001591284646 992219459 /nfs/dbraw/zinc/21/94/59/992219459.db2.gz CGTXLPWQZSCOMN-UHFFFAOYSA-N -1 0 331.334 3.667 20 0 EHADRM CS[C@@H](C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1)c1ccccc1 ZINC001599780291 992355864 /nfs/dbraw/zinc/35/58/64/992355864.db2.gz HPLBKNRCBUSXMV-BLLLJJGKSA-N -1 0 329.421 3.918 20 0 EHADRM CS[C@@H](C)CCC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001599783739 992399386 /nfs/dbraw/zinc/39/93/86/992399386.db2.gz PSZAASQTYHFYTN-LBPRGKRZSA-N -1 0 341.498 3.865 20 0 EHADRM CN(CCc1cccc2ccccc21)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001598502114 992448289 /nfs/dbraw/zinc/44/82/89/992448289.db2.gz QSBYRQREWUMQQE-BENRWUELSA-N -1 0 349.386 3.845 20 0 EHADRM CC(C)COc1cccc(C(=O)N(CC(C)C)C(C)(C)C(=O)[O-])c1 ZINC001591401209 992471259 /nfs/dbraw/zinc/47/12/59/992471259.db2.gz FSZXVTQNCVTXCS-UHFFFAOYSA-N -1 0 335.444 3.683 20 0 EHADRM CC(C)COc1ccccc1C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC001591402237 992483029 /nfs/dbraw/zinc/48/30/29/992483029.db2.gz WDZIZDRABJJYLL-QGZVFWFLSA-N -1 0 347.455 3.732 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)C[C@@H](C)c1c[nH]c2ccccc21 ZINC001591423627 992512055 /nfs/dbraw/zinc/51/20/55/992512055.db2.gz MVIXIMYXRNLHMM-DYVFJYSZSA-N -1 0 330.428 3.619 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1ccc(C(F)F)c(F)c1 ZINC001598512154 992576073 /nfs/dbraw/zinc/57/60/73/992576073.db2.gz PXPZQADWZBBPSG-UHFFFAOYSA-N -1 0 337.297 3.734 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC001591483554 992604029 /nfs/dbraw/zinc/60/40/29/992604029.db2.gz KACTWTLNKLHCOY-UHFFFAOYSA-N -1 0 339.435 3.832 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)N(C2CC2)C2(C(=O)[O-])CCC2)c1 ZINC001591488234 992615031 /nfs/dbraw/zinc/61/50/31/992615031.db2.gz CIMGYIWWJMAISA-HNNXBMFYSA-N -1 0 343.467 3.987 20 0 EHADRM CC(C)Cc1ccccc1C(=O)N1C[C@H](C(=O)[O-])Cc2ccccc21 ZINC001591488607 992616794 /nfs/dbraw/zinc/61/67/94/992616794.db2.gz HAIDPGPBLWXQOJ-QGZVFWFLSA-N -1 0 337.419 3.789 20 0 EHADRM CN(Cc1ccc(F)c(Cl)c1)C(=O)NCCCCCCC(=O)[O-] ZINC001598517423 992634237 /nfs/dbraw/zinc/63/42/37/992634237.db2.gz IUCCHYGPQYUDSJ-UHFFFAOYSA-N -1 0 344.814 3.656 20 0 EHADRM CN(Cc1ccc2ccccc2c1)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001598524856 992706267 /nfs/dbraw/zinc/70/62/67/992706267.db2.gz WJBAXIJLQZBWTB-LUAWRHEFSA-N -1 0 335.359 3.803 20 0 EHADRM CN(Cc1ccccn1)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598530998 992780308 /nfs/dbraw/zinc/78/03/08/992780308.db2.gz MQWZWZBPNQXGNJ-AWEZNQCLSA-N -1 0 325.195 3.646 20 0 EHADRM CC(C)N(Cc1ccc(F)cc1)C(=O)c1cccc(CC(=O)[O-])c1 ZINC001591596476 992823016 /nfs/dbraw/zinc/82/30/16/992823016.db2.gz FQSXUPXLQYGIPI-UHFFFAOYSA-N -1 0 329.371 3.504 20 0 EHADRM CC(C)N(Cc1cccc(Cl)c1)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001591600070 992827460 /nfs/dbraw/zinc/82/74/60/992827460.db2.gz BETHDZKBKOVMPS-UHFFFAOYSA-N -1 0 347.802 3.876 20 0 EHADRM COc1ccc(N(CC(C)C)C(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC001599584455 993594198 /nfs/dbraw/zinc/59/41/98/993594198.db2.gz QAADQWPTCIIYGX-UHFFFAOYSA-N -1 0 333.409 3.758 20 0 EHADRM COc1ccc(N(C)C(=O)c2cc(C)cc(C(=O)[O-])c2)cc1Cl ZINC001599584509 993594270 /nfs/dbraw/zinc/59/42/70/993594270.db2.gz VREWPOFPTJUGKM-UHFFFAOYSA-N -1 0 333.771 3.632 20 0 EHADRM C[C@H](NC(=O)NCC1(CC(=O)[O-])CCCC1)[C@@H](C)c1ccccc1 ZINC001593089399 993706322 /nfs/dbraw/zinc/70/63/22/993706322.db2.gz VOQWMAMLVRHZTI-CABCVRRESA-N -1 0 332.444 3.513 20 0 EHADRM COc1ccc(N[C@@H](C(=O)[O-])c2c(F)cccc2Cl)cc1F ZINC001599596762 993758904 /nfs/dbraw/zinc/75/89/04/993758904.db2.gz VBHXEUUBJGVXBQ-CQSZACIVSA-N -1 0 327.714 3.865 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C)C1CCCCC1 ZINC001593116695 993812278 /nfs/dbraw/zinc/81/22/78/993812278.db2.gz INTLMAYTCARNCW-LBPRGKRZSA-N -1 0 333.432 3.541 20 0 EHADRM CC(NC(=O)Nc1cccc(CSCC(=O)[O-])c1)(C1CC1)C1CC1 ZINC001593119024 993834729 /nfs/dbraw/zinc/83/47/29/993834729.db2.gz VZPAKLXAJGRORG-UHFFFAOYSA-N -1 0 348.468 3.705 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1cc(Cl)cc(Cl)c1F ZINC001593142002 993934797 /nfs/dbraw/zinc/93/47/97/993934797.db2.gz NUUOLOUIFHWHGT-XHNCKOQMSA-N -1 0 348.201 3.811 20 0 EHADRM COc1ccc(SCC(=O)c2c[nH]c3ccc(C(=O)[O-])cc32)cc1 ZINC001599618331 994047247 /nfs/dbraw/zinc/04/72/47/994047247.db2.gz JZPGVJXXVARGIW-UHFFFAOYSA-N -1 0 341.388 3.850 20 0 EHADRM C[C@@H](NC(=O)c1ccsc1C(=O)[O-])c1ccc(OC(F)F)cc1 ZINC001593183691 994080273 /nfs/dbraw/zinc/08/02/73/994080273.db2.gz LWLBBAWFWKTUNC-MRVPVSSYSA-N -1 0 341.335 3.539 20 0 EHADRM C[C@@H](NC(=O)c1cncc(C(=O)[O-])c1)c1ccc(F)c2ccccc21 ZINC001593185553 994099359 /nfs/dbraw/zinc/09/93/59/994099359.db2.gz ZSCWCCDHYKPZIP-LLVKDONJSA-N -1 0 338.338 3.563 20 0 EHADRM C[C@@H](N[C@H](C(=O)[O-])c1ccc(F)cc1)c1nc(C2CCCCC2)no1 ZINC001593194169 994131354 /nfs/dbraw/zinc/13/13/54/994131354.db2.gz AVGMOSVEUMSLSX-ABAIWWIYSA-N -1 0 347.390 3.733 20 0 EHADRM C[C@H](N[C@@H](C)c1ccccc1OC(F)F)c1ccc(C(=O)[O-])o1 ZINC001593194890 994142716 /nfs/dbraw/zinc/14/27/16/994142716.db2.gz ARNRRGFCARZSLD-UWVGGRQHSA-N -1 0 325.311 3.991 20 0 EHADRM COc1ccc2c(c1)C[C@@H](C(C)C)CN2C(=O)CC(C)(C)CC(=O)[O-] ZINC001599625798 994146708 /nfs/dbraw/zinc/14/67/08/994146708.db2.gz MWJALWCWRZEUHS-OAHLLOKOSA-N -1 0 347.455 3.748 20 0 EHADRM C[C@@H](N[C@H](C)c1ccccc1OC(F)F)c1cc(C(=O)[O-])co1 ZINC001593197393 994162578 /nfs/dbraw/zinc/16/25/78/994162578.db2.gz JUHHFAVEZGCZFO-NXEZZACHSA-N -1 0 325.311 3.991 20 0 EHADRM COc1ccc2cc(NC(=O)c3ccc(/C=C\C(=O)[O-])o3)ccc2c1 ZINC001599634449 994266410 /nfs/dbraw/zinc/26/64/10/994266410.db2.gz NWAWJHQNXOOZFW-CLFYSBASSA-N -1 0 337.331 3.792 20 0 EHADRM COc1ccc2nc(CNc3cc(C)cc(C(=O)[O-])c3)sc2c1 ZINC001599634660 994268607 /nfs/dbraw/zinc/26/86/07/994268607.db2.gz GDKFUDJHNUMFIQ-UHFFFAOYSA-N -1 0 328.393 3.924 20 0 EHADRM C[C@H](N[C@H]1CC2(CCC2)Oc2ccccc21)c1ncc(C(=O)[O-])s1 ZINC001593217514 994273527 /nfs/dbraw/zinc/27/35/27/994273527.db2.gz BQUGDADUSBTPOM-AAEUAGOBSA-N -1 0 344.436 3.938 20 0 EHADRM COc1ccc2cc([C@@H](C)OC(=O)c3ccc(C(=O)[O-])[nH]3)ccc2c1 ZINC001599635033 994275205 /nfs/dbraw/zinc/27/52/05/994275205.db2.gz JTILCOCHEDXPPG-LLVKDONJSA-N -1 0 339.347 3.793 20 0 EHADRM Cc1cc(C)cc(C[C@@H](C)NC(=O)c2cc(F)c(F)c([O-])c2F)c1 ZINC000180079051 1015851972 /nfs/dbraw/zinc/85/19/72/1015851972.db2.gz ZRDLTVBVBYBOTQ-LLVKDONJSA-N -1 0 337.341 3.787 20 0 EHADRM COc1cccc(C(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)c1C ZINC001599640908 994356562 /nfs/dbraw/zinc/35/65/62/994356562.db2.gz IMAQWSAUILOAEB-MRXNPFEDSA-N -1 0 347.455 3.937 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)c1ccc(C2CC2)cc1 ZINC001599644734 994408964 /nfs/dbraw/zinc/40/89/64/994408964.db2.gz WGLGNGPRRGKPQS-UHFFFAOYSA-N -1 0 325.364 3.547 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)C[C@@H](C)C1CCCCC1 ZINC001599645243 994416689 /nfs/dbraw/zinc/41/66/89/994416689.db2.gz ICNZNGKCCVQMPY-CYBMUJFWSA-N -1 0 333.428 3.963 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)C[C@@H](C)c1cccc(F)c1 ZINC001599646343 994429878 /nfs/dbraw/zinc/42/98/78/994429878.db2.gz SEOZRZWGIPEODG-GFCCVEGCSA-N -1 0 345.370 3.689 20 0 EHADRM COc1cccc([C@@H](C(=O)[O-])N(C)Cc2ccccc2OC(C)C)c1 ZINC001599649311 994471426 /nfs/dbraw/zinc/47/14/26/994471426.db2.gz CXGXWIUAZJMIBO-IBGZPJMESA-N -1 0 343.423 3.740 20 0 EHADRM COc1cccc(/C(C)=C/C(=O)O[C@@H](C(=O)[O-])c2ccsc2)c1 ZINC001599654644 994558515 /nfs/dbraw/zinc/55/85/15/994558515.db2.gz VWTROAONDHMLGS-YCABEKBOSA-N -1 0 332.377 3.529 20 0 EHADRM COc1cccc([C@@H](C)CCCC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC001599655451 994571288 /nfs/dbraw/zinc/57/12/88/994571288.db2.gz RINFNOYPSUPRSF-RLFYNMQTSA-N -1 0 347.455 3.538 20 0 EHADRM C[C@@](NCc1ccc(-c2ncco2)cc1F)(C(=O)[O-])c1ccccc1 ZINC001593293932 994688520 /nfs/dbraw/zinc/68/85/20/994688520.db2.gz ZMZKKQUPUOGJNO-IBGZPJMESA-N -1 0 340.354 3.570 20 0 EHADRM C[C@@H](NCc1ccc(C(=O)[O-])cn1)c1cccc(Cl)c1Cl ZINC001593296284 994696815 /nfs/dbraw/zinc/69/68/15/994696815.db2.gz LPXIAAUDOUQGBV-SECBINFHSA-N -1 0 325.195 3.937 20 0 EHADRM COc1cccc(CC(=O)[O-])c1OC[C@H](OC(C)C)c1ccccc1 ZINC001599666118 994732816 /nfs/dbraw/zinc/73/28/16/994732816.db2.gz VJCBOFPOTQHPCP-SFHVURJKSA-N -1 0 344.407 3.867 20 0 EHADRM COc1cccc(C2(NC(=O)Nc3cc(C(=O)[O-])cs3)CCC2)c1 ZINC001599667220 994750465 /nfs/dbraw/zinc/75/04/65/994750465.db2.gz WVNHHUFCOMSBOB-UHFFFAOYSA-N -1 0 346.408 3.656 20 0 EHADRM C[C@H](NCc1csc(-c2ccc(C(=O)[O-])cc2)n1)c1cccnc1 ZINC001593312350 994799718 /nfs/dbraw/zinc/79/97/18/994799718.db2.gz UNJJOYBVGACPDE-LBPRGKRZSA-N -1 0 339.420 3.754 20 0 EHADRM CNc1cc(Cl)ccc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001598678681 994890549 /nfs/dbraw/zinc/89/05/49/994890549.db2.gz YPROLRQYEPBGDZ-UHFFFAOYSA-N -1 0 336.750 3.780 20 0 EHADRM COc1cccc(NC(=O)C[C@@H](C)Nc2cc(C)cc(C(=O)[O-])c2)c1 ZINC001599678874 994944301 /nfs/dbraw/zinc/94/43/01/994944301.db2.gz PICZJCULCFFNSG-CYBMUJFWSA-N -1 0 342.395 3.531 20 0 EHADRM C[C@H](Nc1ccc(N(C)C(=O)OC(C)(C)C)cc1)[C@H]1C[C@@H]1C(=O)[O-] ZINC001593362428 995031836 /nfs/dbraw/zinc/03/18/36/995031836.db2.gz HIKRAURPDYMWKN-GLQYFDAESA-N -1 0 334.416 3.579 20 0 EHADRM C[C@@H](Nc1cnn(C(C)(C)C(=O)[O-])c1)c1ccc(F)c(Cl)c1 ZINC001593368171 995061596 /nfs/dbraw/zinc/06/15/96/995061596.db2.gz VBDLQGLVBPWZFZ-SECBINFHSA-N -1 0 325.771 3.668 20 0 EHADRM C[C@H](Nc1ncnc2cccc(F)c21)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593373454 995067609 /nfs/dbraw/zinc/06/76/09/995067609.db2.gz FFKLEDVNSZHFKY-JSGCOSHPSA-N -1 0 339.370 3.513 20 0 EHADRM C[C@](O)(CNc1ncc(C(=O)[O-])cc1C(F)(F)F)C1CCCCC1 ZINC001593417303 995204701 /nfs/dbraw/zinc/20/47/01/995204701.db2.gz RGZILKHKZZAGFQ-HNNXBMFYSA-N -1 0 346.349 3.542 20 0 EHADRM COC(=O)[C@@H](S[C@H](C)CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001598712391 995363881 /nfs/dbraw/zinc/36/38/81/995363881.db2.gz PJHBKRXFTGXUBL-PELKAZGASA-N -1 0 336.331 3.516 20 0 EHADRM COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N1CCC[C@H](C2CCC2)CC1 ZINC001598713276 995372460 /nfs/dbraw/zinc/37/24/60/995372460.db2.gz OWWSZGHICWFMQV-YJBOKZPZSA-N -1 0 345.439 3.501 20 0 EHADRM C[C@H](OC(=O)CCc1c[nH]c2ccccc12)c1cc(C(=O)[O-])co1 ZINC001593526375 995567732 /nfs/dbraw/zinc/56/77/32/995567732.db2.gz VMYVKOVYLBKHQD-NSHDSACASA-N -1 0 327.336 3.696 20 0 EHADRM C[C@@H](OC(=O)CCOc1ccc(Cl)cc1)c1ccc(C(=O)[O-])o1 ZINC001593526463 995568447 /nfs/dbraw/zinc/56/84/47/995568447.db2.gz YHWMBAYDIDSHMO-SNVBAGLBSA-N -1 0 338.743 3.705 20 0 EHADRM C[C@@H](OC1CCCCC1)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC001593602823 995765470 /nfs/dbraw/zinc/76/54/70/995765470.db2.gz KYSATFFMSYTGCT-SNVBAGLBSA-N -1 0 325.792 3.715 20 0 EHADRM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)C1(C(=O)[O-])CCCC1 ZINC001593612060 995813133 /nfs/dbraw/zinc/81/31/33/995813133.db2.gz JWPFRLORTRETOL-CQSZACIVSA-N -1 0 347.455 3.607 20 0 EHADRM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](CC(=O)[O-])C(C)(C)C ZINC001593612169 995813648 /nfs/dbraw/zinc/81/36/48/995813648.db2.gz LVIGGSHODJVRFJ-CZUORRHYSA-N -1 0 349.471 3.757 20 0 EHADRM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(CC(=O)[O-])C1CCCC1 ZINC001593612181 995813900 /nfs/dbraw/zinc/81/39/00/995813900.db2.gz MCECWXZLMXLKGQ-CQSZACIVSA-N -1 0 347.455 3.607 20 0 EHADRM C[C@@H](Oc1ccc(C(=O)NC(C)(C)CC(=O)[O-])cc1)c1ccccc1 ZINC001593612640 995816595 /nfs/dbraw/zinc/81/65/95/995816595.db2.gz XOBJKJBFTPJAPX-CQSZACIVSA-N -1 0 341.407 3.810 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)C(=O)NCC2(CC(=O)[O-])CCCC2)c1 ZINC001593636177 995936145 /nfs/dbraw/zinc/93/61/45/995936145.db2.gz KJCBBIMPLRVGFP-HNNXBMFYSA-N -1 0 347.455 3.729 20 0 EHADRM CC(C)(CC(=O)NC(C)(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000579884367 1015993391 /nfs/dbraw/zinc/99/33/91/1015993391.db2.gz YDEJLLCYVJVTNX-UHFFFAOYSA-N -1 0 325.408 3.567 20 0 EHADRM C[C@@H](Oc1ccccc1NC(=O)c1cc(C(=O)[O-])co1)C(F)(F)F ZINC001593651309 996011207 /nfs/dbraw/zinc/01/12/07/996011207.db2.gz KFHXITZOQUOPOO-MRVPVSSYSA-N -1 0 343.257 3.560 20 0 EHADRM C[C@H](Oc1ccccc1NC(=O)NC1(C(=O)[O-])CC1)c1ccccc1 ZINC001593651563 996012260 /nfs/dbraw/zinc/01/22/60/996012260.db2.gz OMXPENBAHGHYCY-ZDUSSCGKSA-N -1 0 340.379 3.565 20 0 EHADRM CC(C)n1ncc2cc(CS[C@H](C)c3nc(C(=O)[O-])co3)cnc21 ZINC001593662806 996043254 /nfs/dbraw/zinc/04/32/54/996043254.db2.gz GCJINTHBIXYEGP-SNVBAGLBSA-N -1 0 346.412 3.693 20 0 EHADRM C[C@@H](Sc1ncncc1C(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC001593678391 996091949 /nfs/dbraw/zinc/09/19/49/996091949.db2.gz MHLJHMVQZFJEDE-MRVPVSSYSA-N -1 0 344.314 3.927 20 0 EHADRM C[C@H](Sc1cncc(C(=O)[O-])n1)c1ccc(OC(F)(F)F)cc1 ZINC001593679931 996104465 /nfs/dbraw/zinc/10/44/65/996104465.db2.gz QSSDGINZUQPCNQ-QMMMGPOBSA-N -1 0 344.314 3.927 20 0 EHADRM C[C@@H](c1ccc(COC(=O)[C@H]2CC[C@H]2C(=O)[O-])cc1)C(F)(F)F ZINC001593693869 996146998 /nfs/dbraw/zinc/14/69/98/996146998.db2.gz OWQGENCZCUAICV-BIMULSAOSA-N -1 0 330.302 3.506 20 0 EHADRM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001593698944 996168055 /nfs/dbraw/zinc/16/80/55/996168055.db2.gz PBACQFGENREQRW-DVBBHNHCSA-N -1 0 333.771 3.864 20 0 EHADRM C[C@H](c1nc(C(=O)[O-])co1)N1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC001593725013 996273002 /nfs/dbraw/zinc/27/30/02/996273002.db2.gz LAHQPUXEYDERAA-PWSUYJOCSA-N -1 0 336.338 3.592 20 0 EHADRM C[C@@]1(C(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)CCc2ccccc21 ZINC001593761567 996423183 /nfs/dbraw/zinc/42/31/83/996423183.db2.gz LVFHMVFULFYTLY-GOSISDBHSA-N -1 0 342.420 3.561 20 0 EHADRM C[C@]1(C(=O)Nc2cccc(C(=O)[O-])c2Br)CC=CCC1 ZINC001593762101 996427454 /nfs/dbraw/zinc/42/74/54/996427454.db2.gz XPGCZEMDDJMXIS-HNNXBMFYSA-N -1 0 338.201 3.832 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(c2nc3cccc(OC(F)F)c3s2)C1 ZINC001593779220 996488981 /nfs/dbraw/zinc/48/89/81/996488981.db2.gz WLCPCZBOQBXIPM-OAHLLOKOSA-N -1 0 342.367 3.589 20 0 EHADRM CC1(C(=O)[O-])CN(C(=O)/C=C\c2ccc(-c3ccc(F)cc3)s2)C1 ZINC001593801406 996523652 /nfs/dbraw/zinc/52/36/52/996523652.db2.gz BEBSLWXKAUVQLL-CLFYSBASSA-N -1 0 345.395 3.501 20 0 EHADRM CC1(C)C(c2cc(NC(=O)c3ccsc3CC(=O)[O-])n[nH]2)C1(C)C ZINC001593838708 996599175 /nfs/dbraw/zinc/59/91/75/996599175.db2.gz ZLUXCIAMHQTLHD-UHFFFAOYSA-N -1 0 347.440 3.500 20 0 EHADRM CC1(C)CC(CNC(=O)NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)C1 ZINC001593854117 996635462 /nfs/dbraw/zinc/63/54/62/996635462.db2.gz RODRDHUMKSVQQG-MRXNPFEDSA-N -1 0 344.455 3.540 20 0 EHADRM CC1(C)C[C@H](Nc2cc(C(=O)[O-])ccc2OCc2ccccc2)CO1 ZINC001593859918 996652689 /nfs/dbraw/zinc/65/26/89/996652689.db2.gz ORFMIVBGZBUHGC-INIZCTEOSA-N -1 0 341.407 3.943 20 0 EHADRM CC1(C)C[C@]1(C(=O)N1CCc2cccc(C(=O)[O-])c2C1)c1ccccc1 ZINC001593863069 996661582 /nfs/dbraw/zinc/66/15/82/996661582.db2.gz BQTGAAZQPSTNKH-JOCHJYFZSA-N -1 0 349.430 3.637 20 0 EHADRM CC1(C)C[C@]1(C(=O)N1CCc2cc(C(=O)[O-])ccc2C1)c1ccccc1 ZINC001593864315 996665414 /nfs/dbraw/zinc/66/54/14/996665414.db2.gz RXSOUQARBHIQSS-JOCHJYFZSA-N -1 0 349.430 3.637 20 0 EHADRM CC1(C)CC[C@@H](C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)C1 ZINC001593871078 996683009 /nfs/dbraw/zinc/68/30/09/996683009.db2.gz MRWOFVYVRWYXGN-VNQPRFMTSA-N -1 0 349.858 3.793 20 0 EHADRM CC1(C)CC[C@H](C(=O)NCCc2cc3ccc(C(=O)[O-])cc3o2)C1 ZINC001593874940 996693091 /nfs/dbraw/zinc/69/30/91/996693091.db2.gz ULFFKZMVAHOLPY-AWEZNQCLSA-N -1 0 329.396 3.616 20 0 EHADRM CC1(C)CCC[C@H](CNC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)C1 ZINC001593888346 996732036 /nfs/dbraw/zinc/73/20/36/996732036.db2.gz XDYFKKMXDUIAJL-WMLDXEAASA-N -1 0 344.455 3.596 20 0 EHADRM CC1(C)CCC[C@H](CNC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)C1 ZINC001593888471 996732950 /nfs/dbraw/zinc/73/29/50/996732950.db2.gz ZVECYICTKWQQEL-NSHDSACASA-N -1 0 344.415 3.599 20 0 EHADRM CC1(C)CCC[C@@](NC(=O)Cc2ccc3ccccc3c2)(C(=O)[O-])C1 ZINC001593890708 996734177 /nfs/dbraw/zinc/73/41/77/996734177.db2.gz FXIVAVJKURFHNZ-NRFANRHFSA-N -1 0 339.435 3.922 20 0 EHADRM COC(=O)Cc1cccc(N[C@H]2CCC[C@@H](CCCC(=O)[O-])C2)c1 ZINC001598873743 996750929 /nfs/dbraw/zinc/75/09/29/996750929.db2.gz WQXJEDFFEPPMQW-HOCLYGCPSA-N -1 0 333.428 3.628 20 0 EHADRM CC1(C)CCC[C@H]1[C@H]1CCN(C(=O)c2ccsc2CC(=O)[O-])C1 ZINC001593896741 996754786 /nfs/dbraw/zinc/75/47/86/996754786.db2.gz AUIZRUANHSLUFK-JSGCOSHPSA-N -1 0 335.469 3.664 20 0 EHADRM CC1(C)CCC[C@@H]1C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001593896806 996755498 /nfs/dbraw/zinc/75/54/98/996755498.db2.gz BUIRYWAWUQCSMY-OLZOCXBDSA-N -1 0 343.345 3.931 20 0 EHADRM CC1(C)CCC[C@@H]1C(=O)OCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001593898954 996762445 /nfs/dbraw/zinc/76/24/45/996762445.db2.gz XVMMPAKLCLNNGS-OAHLLOKOSA-N -1 0 343.379 3.909 20 0 EHADRM CC1(C)CCCC[C@H]1CC(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001593904577 996782622 /nfs/dbraw/zinc/78/26/22/996782622.db2.gz HFXGIYBUNKNCPK-HOCLYGCPSA-N -1 0 335.419 3.717 20 0 EHADRM CC1(C)CCCc2sc(NC(=O)/C=C\c3cc(C(=O)[O-])co3)nc21 ZINC001593911131 996799872 /nfs/dbraw/zinc/79/98/72/996799872.db2.gz XUQIMLSKBZABMZ-WAYWQWQTSA-N -1 0 346.408 3.700 20 0 EHADRM COC[C@@H](NCc1cc(C(=O)[O-])ccc1F)c1ccc(Cl)cc1 ZINC001599176833 996862800 /nfs/dbraw/zinc/86/28/00/996862800.db2.gz HLPBDUYEZJOZIB-MRXNPFEDSA-N -1 0 337.778 3.655 20 0 EHADRM COCc1c2ccccc2oc1C(=O)OCc1cc(C)c(C(=O)[O-])o1 ZINC001599279239 996865427 /nfs/dbraw/zinc/86/54/27/996865427.db2.gz XVQQETDHEFRAJK-UHFFFAOYSA-N -1 0 344.319 3.536 20 0 EHADRM CC1(C)CN(C(=O)NCC2(CC(=O)[O-])CCCC2)[C@H]1c1ccccc1 ZINC001593929623 996893313 /nfs/dbraw/zinc/89/33/13/996893313.db2.gz YYUZANTYEIXPQG-KRWDZBQOSA-N -1 0 344.455 3.814 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccc(CC(=O)[O-])cc2)[C@H]1c1ccccc1 ZINC001593933937 996894659 /nfs/dbraw/zinc/89/46/59/996894659.db2.gz DEMDIISUXZAWMI-SFHVURJKSA-N -1 0 338.407 3.929 20 0 EHADRM CC1(C)CN(C(=O)c2cc(F)cc(C(=O)[O-])c2)[C@H]1c1cccs1 ZINC001593936378 996916560 /nfs/dbraw/zinc/91/65/60/996916560.db2.gz DLXREWQJRRCWRP-AWEZNQCLSA-N -1 0 333.384 3.809 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2oc(C(F)F)cc2C)c1F ZINC001599490915 996937495 /nfs/dbraw/zinc/93/74/95/996937495.db2.gz KUEOCVTVEGQKKX-UHFFFAOYSA-N -1 0 343.257 3.624 20 0 EHADRM COCc1cc(NC(=O)N2CCC[C@H]2CC(C)(C)C)cc(C(=O)[O-])c1 ZINC001599284990 996961095 /nfs/dbraw/zinc/96/10/95/996961095.db2.gz KNSXCCNEDXYVIG-INIZCTEOSA-N -1 0 348.443 3.964 20 0 EHADRM COCc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2Cl)cc1F ZINC001599290284 997053321 /nfs/dbraw/zinc/05/33/21/997053321.db2.gz OMAZASODYSJYHA-UHFFFAOYSA-N -1 0 337.734 3.576 20 0 EHADRM COC[C@@]1(C(=O)[O-])CCCCN1Cc1c(Cl)oc2ccccc21 ZINC001599187931 997064245 /nfs/dbraw/zinc/06/42/45/997064245.db2.gz JBLLSJXJTIZCOX-QGZVFWFLSA-N -1 0 337.803 3.542 20 0 EHADRM COc1ccc(C(=O)[O-])cc1CN1CCCc2c(C)ccc(F)c21 ZINC001599500598 997111608 /nfs/dbraw/zinc/11/16/08/997111608.db2.gz TXNIZYNWVWKVGY-UHFFFAOYSA-N -1 0 329.371 3.794 20 0 EHADRM COc1ccc(C(=O)[O-])c2c1CN(Cc1cc(Cl)ccc1F)CC2 ZINC001599501253 997125125 /nfs/dbraw/zinc/12/51/25/997125125.db2.gz KQOJIUHQPSWORY-UHFFFAOYSA-N -1 0 349.789 3.744 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001599395874 997125541 /nfs/dbraw/zinc/12/55/41/997125541.db2.gz BZEUOANUYWUINT-BRLPQQTGSA-N -1 0 330.380 3.669 20 0 EHADRM CC1(C)Cc2cccc(NCc3cc(C(=O)[O-])c4n3CCCC4)c2O1 ZINC001593969280 997132479 /nfs/dbraw/zinc/13/24/79/997132479.db2.gz HRZOKSCUAIOVKD-UHFFFAOYSA-N -1 0 340.423 3.848 20 0 EHADRM COCc1ccsc1C(=O)OCc1cccc(C(=O)[O-])c1Cl ZINC001599297225 997166934 /nfs/dbraw/zinc/16/69/34/997166934.db2.gz KPYCJPWFTOCJBJ-UHFFFAOYSA-N -1 0 340.784 3.603 20 0 EHADRM COCc1cccc(COC(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC001599297380 997169117 /nfs/dbraw/zinc/16/91/17/997169117.db2.gz CDYLBMWRZSUZCX-UHFFFAOYSA-N -1 0 334.755 3.542 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001599504288 997184159 /nfs/dbraw/zinc/18/41/59/997184159.db2.gz BUEKUTIPKLNKAM-OCCSQVGLSA-N -1 0 348.443 3.758 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)NCc1ccoc1C(=O)[O-] ZINC001599504320 997184632 /nfs/dbraw/zinc/18/46/32/997184632.db2.gz FJDGQTCSNHOLNQ-UHFFFAOYSA-N -1 0 346.383 3.606 20 0 EHADRM COc1ccc(/C(C)=C\C(=O)Nc2scc(C(=O)[O-])c2C)cc1 ZINC001599505628 997206591 /nfs/dbraw/zinc/20/65/91/997206591.db2.gz UIOWFDIQARRQLV-NTMALXAHSA-N -1 0 331.393 3.805 20 0 EHADRM COc1ccc(/C(C)=C/C(=O)N[C@]2(C(=O)[O-])CCCC(C)(C)C2)cc1 ZINC001599505956 997209920 /nfs/dbraw/zinc/20/99/20/997209920.db2.gz AEJGODJNOHWFGN-CMQXMCPJSA-N -1 0 345.439 3.638 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1cccc(C)c1Cl ZINC001599400810 997211720 /nfs/dbraw/zinc/21/17/20/997211720.db2.gz VIYLWKDTWYICOV-VQHVLOKHSA-N -1 0 346.766 3.974 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC001599506384 997217554 /nfs/dbraw/zinc/21/75/54/997217554.db2.gz HBGNKHGRUXHYAQ-JTQLQIEISA-N -1 0 349.333 3.804 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OCc1cccc2ncccc12 ZINC001599401200 997217814 /nfs/dbraw/zinc/21/78/14/997217814.db2.gz UNQJVPVZVJSLHN-NTMALXAHSA-N -1 0 335.359 3.920 20 0 EHADRM CC1(C)[C@H](C(=O)N[C@@H](CC(=O)[O-])C2CCCC2)[C@H]1c1ccccc1 ZINC001593987058 997224244 /nfs/dbraw/zinc/22/42/44/997224244.db2.gz CJPXRYHUMWCBRV-JQHSSLGASA-N -1 0 329.440 3.576 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Nc2cc(F)cc(C(=O)[O-])c2F)cc1 ZINC001599507396 997235492 /nfs/dbraw/zinc/23/54/92/997235492.db2.gz ZISCGECGFVGAAN-JTQLQIEISA-N -1 0 349.333 3.804 20 0 EHADRM COc1ccc([C@H](C)NC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC001599509837 997278574 /nfs/dbraw/zinc/27/85/74/997278574.db2.gz PYTJUXGDCOKGJD-ZDUSSCGKSA-N -1 0 342.395 3.893 20 0 EHADRM COCC1CCC(Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)CC1 ZINC001599204598 997382325 /nfs/dbraw/zinc/38/23/25/997382325.db2.gz OXISYJZBDLKFLW-UHFFFAOYSA-N -1 0 346.471 3.992 20 0 EHADRM CON(C(=O)Cc1ccc(C2CCCCC2)cc1)[C@@H](C)CC(=O)[O-] ZINC001599309764 997392557 /nfs/dbraw/zinc/39/25/57/997392557.db2.gz KWDZBIPAJZUKKS-AWEZNQCLSA-N -1 0 333.428 3.530 20 0 EHADRM CON(C(=O)c1cc(-c2ccccc2)ccc1Cl)[C@@H](C)CC(=O)[O-] ZINC001599312660 997443612 /nfs/dbraw/zinc/44/36/12/997443612.db2.gz KXTJSUJRMIBHDW-LBPRGKRZSA-N -1 0 347.798 3.874 20 0 EHADRM COc1ccc([C@@H](NC(=O)C[C@H](C)CCC=C(C)C)C(=O)[O-])cc1 ZINC001599520329 997467852 /nfs/dbraw/zinc/46/78/52/997467852.db2.gz RPALWIYGHQEQQI-RDTXWAMCSA-N -1 0 333.428 3.710 20 0 EHADRM COc1cc(CN[C@H](C(=O)[O-])c2c(F)cccc2Cl)ccc1C ZINC001599414762 997486630 /nfs/dbraw/zinc/48/66/30/997486630.db2.gz SCLBDCNMJGRBOS-INIZCTEOSA-N -1 0 337.778 3.712 20 0 EHADRM COc1cc(COc2ccccc2[C@H](OC)C(=O)[O-])ccc1SC ZINC001599416676 997524162 /nfs/dbraw/zinc/52/41/62/997524162.db2.gz CQZBUYCAOKRZMC-KRWDZBQOSA-N -1 0 348.420 3.768 20 0 EHADRM CON(C[C@@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC001599317961 997531604 /nfs/dbraw/zinc/53/16/04/997531604.db2.gz WZLRDJZGVYNALP-WDEREUQCSA-N -1 0 326.418 3.668 20 0 EHADRM CON(Cc1ccc(Cl)cc1)C(=O)c1ccccc1CCC(=O)[O-] ZINC001599318621 997542456 /nfs/dbraw/zinc/54/24/56/997542456.db2.gz JVAPUDOZXPTEAT-UHFFFAOYSA-N -1 0 347.798 3.561 20 0 EHADRM CO[C@H]1CCC[C@@H](CC(=O)Nc2cccc(Cl)c2C(=O)[O-])C1 ZINC001599112058 997587096 /nfs/dbraw/zinc/58/70/96/997587096.db2.gz JABAPHIZLSHJMC-MNOVXSKESA-N -1 0 325.792 3.572 20 0 EHADRM C[C@]1(Cc2ccc(F)c(Cl)c2)CCCN1c1cncc(C(=O)[O-])n1 ZINC001594041555 997664043 /nfs/dbraw/zinc/66/40/43/997664043.db2.gz NHOCGVYZBXWTAH-QGZVFWFLSA-N -1 0 349.793 3.569 20 0 EHADRM COc1ccc([C@H](Nc2cc(CC(=O)[O-])ccn2)C2CCC2)cc1 ZINC001599532082 997672785 /nfs/dbraw/zinc/67/27/85/997672785.db2.gz OBAJPPXCULRPBF-LJQANCHMSA-N -1 0 326.396 3.671 20 0 EHADRM COc1cc(F)cc(NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])c1 ZINC001599426117 997679001 /nfs/dbraw/zinc/67/90/01/997679001.db2.gz XEHKEVZTFHTJII-JTQLQIEISA-N -1 0 349.383 3.652 20 0 EHADRM COc1c(-c2noc(-c3ccc(C(=O)[O-])cc3)n2)cnc2ccccc21 ZINC001599327788 997694343 /nfs/dbraw/zinc/69/43/43/997694343.db2.gz YHYYWBUKVTWXAB-UHFFFAOYSA-N -1 0 347.330 3.659 20 0 EHADRM COc1ccc(C2(NC(=O)Nc3ccc(C(=O)[O-])cc3C)CC2)cc1 ZINC001599538135 997782563 /nfs/dbraw/zinc/78/25/63/997782563.db2.gz HNKUMXQBJPGVSB-UHFFFAOYSA-N -1 0 340.379 3.513 20 0 EHADRM C[C@@]1(NC(=O)c2cc(-c3ccccc3)ccn2)CCCC[C@@H]1C(=O)[O-] ZINC001594055830 997791420 /nfs/dbraw/zinc/79/14/20/997791420.db2.gz JLWNDSAEQULQDX-OXQOHEQNSA-N -1 0 338.407 3.512 20 0 EHADRM COc1cc(NC(=O)[C@H](C)c2ccc(Cl)cc2)ccc1C(=O)[O-] ZINC001599433206 997796842 /nfs/dbraw/zinc/79/68/42/997796842.db2.gz JMBDHMQZTGLVGA-SNVBAGLBSA-N -1 0 333.771 3.789 20 0 EHADRM COc1c(NC(=O)/C(C)=C/c2ccc(F)cc2)cccc1C(=O)[O-] ZINC001599336351 997844354 /nfs/dbraw/zinc/84/43/54/997844354.db2.gz FQIXVWQJOTWRNM-ZHACJKMWSA-N -1 0 329.327 3.575 20 0 EHADRM COc1cc(NC(=O)NC(C)(C)c2cccc(F)c2)ccc1C(=O)[O-] ZINC001599437955 997881618 /nfs/dbraw/zinc/88/16/18/997881618.db2.gz RWHDTZPPGRSAKR-UHFFFAOYSA-N -1 0 346.358 3.589 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1csc(C)c1C ZINC001599544579 997902294 /nfs/dbraw/zinc/90/22/94/997902294.db2.gz ICLVQEXXIIAKAG-FNORWQNLSA-N -1 0 332.377 3.691 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1cccc2cccnc21 ZINC001599546588 997933585 /nfs/dbraw/zinc/93/35/85/997933585.db2.gz XZWIYTUTQUVFMP-CSKARUKUSA-N -1 0 349.342 3.560 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OCc1csc([C@@H](C)OC)n1 ZINC001599546668 997934853 /nfs/dbraw/zinc/93/48/53/997934853.db2.gz OWGOPGGNNQQABS-OKPNEXGHSA-N -1 0 349.408 3.536 20 0 EHADRM COc1c(NC(=O)c2cc(Cl)cc(Cl)c2)cccc1C(=O)[O-] ZINC001599342174 997940708 /nfs/dbraw/zinc/94/07/08/997940708.db2.gz GECJOTJWLAMUJE-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1Oc1ncnc2c(F)cccc12 ZINC001599547318 997945360 /nfs/dbraw/zinc/94/53/60/997945360.db2.gz TXWDDWKQGARNCF-VURMDHGXSA-N -1 0 340.310 3.668 20 0 EHADRM CC1(c2ccccc2C(=O)N2CCc3c(cccc3C(=O)[O-])C2)CC1 ZINC001594079009 997958793 /nfs/dbraw/zinc/95/87/93/997958793.db2.gz GLKIAAWAIDRKSN-UHFFFAOYSA-N -1 0 335.403 3.635 20 0 EHADRM COc1cc(NC(=O)c2oc(C(=O)[O-])cc2C)cc2ccccc21 ZINC001599444671 997988674 /nfs/dbraw/zinc/98/86/74/997988674.db2.gz SOZXOMHZQXHIMT-UHFFFAOYSA-N -1 0 325.320 3.700 20 0 EHADRM COc1cc(OC(=O)C[C@@H]2CCCc3ccccc32)ccc1C(=O)[O-] ZINC001599445126 997995472 /nfs/dbraw/zinc/99/54/72/997995472.db2.gz BKJPBJLFXLEJJR-AWEZNQCLSA-N -1 0 340.375 3.809 20 0 EHADRM COc1cc(O[C@H](C)c2nc(-c3ccccc3)no2)ccc1C(=O)[O-] ZINC001599447692 998036232 /nfs/dbraw/zinc/03/62/32/998036232.db2.gz SJBNUZINDTXIRN-LLVKDONJSA-N -1 0 340.335 3.583 20 0 EHADRM COc1cc(OC(=O)c2ccsc2C(F)(F)F)ccc1C(=O)[O-] ZINC001599447746 998037078 /nfs/dbraw/zinc/03/70/78/998037078.db2.gz VUMHHSJCBBWYMQ-UHFFFAOYSA-N -1 0 346.282 3.693 20 0 EHADRM COc1ccc(CN(C)C(=O)c2cc(C(=O)[O-])ccc2Cl)cc1C ZINC001599557762 998125804 /nfs/dbraw/zinc/12/58/04/998125804.db2.gz SQNFLRZDYKOSNO-UHFFFAOYSA-N -1 0 347.798 3.627 20 0 EHADRM COc1cc(OCC(=O)c2ccc3c(c2)CCCC3)ccc1C(=O)[O-] ZINC001599456600 998199397 /nfs/dbraw/zinc/19/93/97/998199397.db2.gz FXQXFIZMWLVILZ-UHFFFAOYSA-N -1 0 340.375 3.534 20 0 EHADRM COc1cc(OCc2ccc(F)c3cccnc23)ccc1C(=O)[O-] ZINC001599456849 998202420 /nfs/dbraw/zinc/20/24/20/998202420.db2.gz KNTQUGPOMMCEEB-UHFFFAOYSA-N -1 0 327.311 3.660 20 0 EHADRM CC1=C(C)CN(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)CC1 ZINC001594110154 998204665 /nfs/dbraw/zinc/20/46/65/998204665.db2.gz QHTAXCVKUPSEPE-UHFFFAOYSA-N -1 0 332.400 3.746 20 0 EHADRM COc1cc(OCc2cccc(Br)c2)ccc1C(=O)[O-] ZINC001599457141 998206426 /nfs/dbraw/zinc/20/64/26/998206426.db2.gz XVMOJDXHIXEQBH-UHFFFAOYSA-N -1 0 337.169 3.735 20 0 EHADRM CC1=CC[C@](C)(C(=O)NCCc2cc3ccc(C(=O)[O-])cc3o2)CC1 ZINC001594113930 998231900 /nfs/dbraw/zinc/23/19/00/998231900.db2.gz ULVOWBGUJPCWRX-FQEVSTJZSA-N -1 0 341.407 3.926 20 0 EHADRM C[C@H]1C(=O)CC[C@@H](c2nc(-c3cccc(C(=O)[O-])c3)no2)C1(C)C ZINC001594121560 998281823 /nfs/dbraw/zinc/28/18/23/998281823.db2.gz INMMFNLLOKRUJG-GWCFXTLKSA-N -1 0 328.368 3.544 20 0 EHADRM C[C@@H]1C(=O)CC[C@H](C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C1(C)C ZINC001594122662 998286765 /nfs/dbraw/zinc/28/67/65/998286765.db2.gz QLDVOXBTKKXBHO-NOZJJQNGSA-N -1 0 337.803 3.618 20 0 EHADRM COc1ccc(CNC(=O)c2cccc(C(C)(C)C)c2)cc1C(=O)[O-] ZINC001599570657 998359317 /nfs/dbraw/zinc/35/93/17/998359317.db2.gz IFALLLUYHFAEAG-UHFFFAOYSA-N -1 0 341.407 3.621 20 0 EHADRM COc1cc2nc(NCc3cccc(C(=O)[O-])c3)sc2cc1OC ZINC001599466702 998374984 /nfs/dbraw/zinc/37/49/84/998374984.db2.gz ASKVVQKKCPFXQO-UHFFFAOYSA-N -1 0 344.392 3.624 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)/C=C/c1ccnc2ccccc12 ZINC001599369696 998390269 /nfs/dbraw/zinc/39/02/69/998390269.db2.gz MZLVQFRQOWMDNM-VQHVLOKHSA-N -1 0 348.358 3.594 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)/C=C\c1ccnc2ccccc12 ZINC001599369695 998390755 /nfs/dbraw/zinc/39/07/55/998390755.db2.gz MZLVQFRQOWMDNM-CLFYSBASSA-N -1 0 348.358 3.594 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N(C)[C@H](C)c1ccccc1 ZINC001599369785 998391923 /nfs/dbraw/zinc/39/19/23/998391923.db2.gz BWFLUVMOAWVNFR-GFCCVEGCSA-N -1 0 328.368 3.618 20 0 EHADRM COC[C@H](C)[C@@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC001599159417 998431175 /nfs/dbraw/zinc/43/11/75/998431175.db2.gz ULDFNBQQHABRGL-WDEREUQCSA-N -1 0 339.457 3.572 20 0 EHADRM COC[C@H](C)N(C(=O)C[C@@H](C)CC(=O)[O-])c1cc(Cl)ccc1C ZINC001599160745 998453612 /nfs/dbraw/zinc/45/36/12/998453612.db2.gz JQSDRFJHXQXJOY-YPMHNXCESA-N -1 0 341.835 3.517 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1cc2c(ccc(C)c2C)[nH]1 ZINC001599373759 998453466 /nfs/dbraw/zinc/45/34/66/998453466.db2.gz DIKYLNFFOPTNEB-UHFFFAOYSA-N -1 0 338.363 3.744 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C1(c2ccccc2)CCCCCC1 ZINC001594145605 998477071 /nfs/dbraw/zinc/47/70/71/998477071.db2.gz UCQLTPVIKQNRSP-WBVHZDCISA-N -1 0 329.440 3.600 20 0 EHADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C1(c2ccccc2)CCCCCC1 ZINC001594145602 998477496 /nfs/dbraw/zinc/47/74/96/998477496.db2.gz UCQLTPVIKQNRSP-DOTOQJQBSA-N -1 0 329.440 3.600 20 0 EHADRM COc1ccc(-n2ccnc2SCc2cc(C(=O)[O-])cs2)cc1 ZINC001599473988 998497136 /nfs/dbraw/zinc/49/71/36/998497136.db2.gz CTIWHDKFRATSTN-UHFFFAOYSA-N -1 0 346.433 3.933 20 0 EHADRM COc1ccc(-n2ccnc2SC[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC001599474278 998502400 /nfs/dbraw/zinc/50/24/00/998502400.db2.gz JMEKZQCMEQXVSY-BBRMVZONSA-N -1 0 346.452 3.864 20 0 EHADRM COc1ccc(-n2ccnc2SC[C@@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC001599474281 998502558 /nfs/dbraw/zinc/50/25/58/998502558.db2.gz JMEKZQCMEQXVSY-XJKSGUPXSA-N -1 0 346.452 3.864 20 0 EHADRM Cc1nc(S(=O)(=O)[N-]c2ccccc2Nc2ccc(C)cc2)c[nH]1 ZINC000340079180 1016222984 /nfs/dbraw/zinc/22/29/84/1016222984.db2.gz FZRMUUSUVHHJIG-UHFFFAOYSA-N -1 0 342.424 3.571 20 0 EHADRM COC[C@H](CS[C@H](C)CC(=O)[O-])c1ccc(Br)cc1 ZINC001599164554 998518246 /nfs/dbraw/zinc/51/82/46/998518246.db2.gz JVVQAEXRCSPWNO-ZYHUDNBSSA-N -1 0 347.274 3.776 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)/C=C/c1ccc(Cl)s1 ZINC001599378828 998533539 /nfs/dbraw/zinc/53/35/39/998533539.db2.gz QIMYRCCRIORNRT-QPJJXVBHSA-N -1 0 338.768 3.727 20 0 EHADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC001594157053 998573762 /nfs/dbraw/zinc/57/37/62/998573762.db2.gz QDAVLYFCLKDOQA-SUMWQHHRSA-N -1 0 346.427 3.725 20 0 EHADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccc(OCC2CCCCC2)cc1 ZINC001594159148 998591936 /nfs/dbraw/zinc/59/19/36/998591936.db2.gz PTBCKOXRQJEAFB-KBXCAEBGSA-N -1 0 345.439 3.581 20 0 EHADRM COC(=O)c1ccc(NC(=O)c2cccc(C(C)C)c2)cc1C(=O)[O-] ZINC001598983521 998680257 /nfs/dbraw/zinc/68/02/57/998680257.db2.gz LPHHBXMBOCYGLG-UHFFFAOYSA-N -1 0 341.363 3.547 20 0 EHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1Nc1cnn(-c2ccccc2Cl)c1 ZINC001594184079 998713188 /nfs/dbraw/zinc/71/31/88/998713188.db2.gz FAGROVWXISBSBG-JMSVASOKSA-N -1 0 333.819 3.827 20 0 EHADRM C[C@H]1[C@H](Nc2ccc(SC(F)(F)F)nc2)CC[C@H]1CC(=O)[O-] ZINC001594185114 998717570 /nfs/dbraw/zinc/71/75/70/998717570.db2.gz MYTDNEPEHGAQNH-WCABBAIRSA-N -1 0 334.363 3.995 20 0 EHADRM COC(=O)c1cccc([C@@H](Nc2ccc3ccccc3c2)C(=O)[O-])c1 ZINC001598994165 998763651 /nfs/dbraw/zinc/76/36/51/998763651.db2.gz FJFANDQLRUPUSK-GOSISDBHSA-N -1 0 335.359 3.864 20 0 EHADRM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001594213116 998822417 /nfs/dbraw/zinc/82/24/17/998822417.db2.gz AVJXDXBDAUCZAE-RACNMONISA-N -1 0 343.467 3.918 20 0 EHADRM C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccsc1C(=O)[O-] ZINC001594214978 998828623 /nfs/dbraw/zinc/82/86/23/998828623.db2.gz PTQAPZUUKMVJEH-SFYZADRCSA-N -1 0 336.335 3.641 20 0 EHADRM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001594217340 998837448 /nfs/dbraw/zinc/83/74/48/998837448.db2.gz ROTKZEDBRUIQRD-RNCFNFMXSA-N -1 0 340.370 3.999 20 0 EHADRM C[C@@H]1CC(C(=O)Nc2sc3c(c2C(=O)[O-])CCOC3)C[C@@H](C)C1 ZINC001594222484 998856725 /nfs/dbraw/zinc/85/67/25/998856725.db2.gz DBPZOZFGAGNXOQ-UWVGGRQHSA-N -1 0 337.441 3.530 20 0 EHADRM C[C@@H]1CC(CNC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)C[C@@H](C)C1 ZINC001594222800 998858612 /nfs/dbraw/zinc/85/86/12/998858612.db2.gz JGDJBUAHEZIAKR-KBPBESRZSA-N -1 0 344.455 3.525 20 0 EHADRM C[C@@H]1C[C@@H](CCNc2ncc(C(=O)[O-])cc2C(F)(F)F)C[C@H](C)O1 ZINC001594235664 998896619 /nfs/dbraw/zinc/89/66/19/998896619.db2.gz JCGRRTPRHMRZDS-JGPRNRPPSA-N -1 0 346.349 3.804 20 0 EHADRM CC1CC(CNC(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)C1 ZINC001594239148 998911066 /nfs/dbraw/zinc/91/10/66/998911066.db2.gz MVBWNKMZLPASLD-UHFFFAOYSA-N -1 0 345.443 3.543 20 0 EHADRM C[C@@H]1C[C@H](NC(=O)NCC(C)(C)CC(=O)[O-])C[C@@H](c2ccccc2)C1 ZINC001594255316 998983819 /nfs/dbraw/zinc/98/38/19/998983819.db2.gz MOFIWMPYRMFPLY-XIRDDKMYSA-N -1 0 346.471 3.759 20 0 EHADRM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2cc(F)cc(C(=O)[O-])c2)C1 ZINC001594265757 999029675 /nfs/dbraw/zinc/02/96/75/999029675.db2.gz HXDITZXSSANWNM-DIFFPNOSSA-N -1 0 345.345 3.886 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001594269602 999041877 /nfs/dbraw/zinc/04/18/77/999041877.db2.gz KYBIWPQEYCFGCC-VNHYZAJKSA-N -1 0 339.395 3.578 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)N(C(=O)Nc2ccc(CC(=O)[O-])cc2)C1 ZINC001594269671 999042199 /nfs/dbraw/zinc/04/21/99/999042199.db2.gz MDMFGPQQEPUBNE-KBXCAEBGSA-N -1 0 338.407 3.929 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)N(C(=O)c2cc(F)cc(C(=O)[O-])c2)C1 ZINC001594269658 999042238 /nfs/dbraw/zinc/04/22/38/999042238.db2.gz LWARAZPSWOUBPB-YVEFUNNKSA-N -1 0 327.355 3.747 20 0 EHADRM C[C@@H]1C[C@@H]1c1cc(NC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)n[nH]1 ZINC001594277662 999074568 /nfs/dbraw/zinc/07/45/68/999074568.db2.gz QWLLYGZLDBDAOF-APPZFPTMSA-N -1 0 334.763 3.529 20 0 EHADRM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001594283882 999100085 /nfs/dbraw/zinc/10/00/85/999100085.db2.gz IXSGKSQQYMQYPE-TURQNECASA-N -1 0 325.767 3.798 20 0 EHADRM CO[C@H](C)CCC(=O)OCc1c(C(=O)[O-])sc2cccc(F)c21 ZINC001599039022 999104368 /nfs/dbraw/zinc/10/43/68/999104368.db2.gz KNGJLMWQWWHTTK-SECBINFHSA-N -1 0 340.372 3.597 20 0 EHADRM CO[C@@H](C)CN(C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-])C(C)C ZINC001599040666 999115706 /nfs/dbraw/zinc/11/57/06/999115706.db2.gz ULDFZAZTYHNRTD-ZDUSSCGKSA-N -1 0 336.432 3.785 20 0 EHADRM C[C@@H]1CC=C(C(=O)N[C@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])CC1 ZINC001594291887 999125875 /nfs/dbraw/zinc/12/58/75/999125875.db2.gz HPDUUUZHKIITCJ-DKSSEZFCSA-N -1 0 341.451 3.812 20 0 EHADRM C[C@@H]1CC[C@@](C)(/C=C/C(=O)NC(C)(C)c2cc(C(=O)[O-])on2)C1(C)C ZINC001594295576 999137705 /nfs/dbraw/zinc/13/77/05/999137705.db2.gz DDTODLPBVFGYGH-CQJFTNOYSA-N -1 0 348.443 3.743 20 0 EHADRM C[C@@H]1CC[C@](C)(/C=C\C(=O)Nc2cccc(CC(=O)[O-])n2)C1(C)C ZINC001594295648 999138059 /nfs/dbraw/zinc/13/80/59/999138059.db2.gz FXVJFQNDQUAOBL-QHVTVDFMSA-N -1 0 330.428 3.666 20 0 EHADRM C[C@@H]1CC[C@@](C)(/C=C\C(=O)Nc2cccc(CC(=O)[O-])n2)C1(C)C ZINC001594295647 999138094 /nfs/dbraw/zinc/13/80/94/999138094.db2.gz FXVJFQNDQUAOBL-FGUZWQGDSA-N -1 0 330.428 3.666 20 0 EHADRM C[C@H]1CCC(C)(C)N1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001594296859 999144082 /nfs/dbraw/zinc/14/40/82/999144082.db2.gz XOYYIPCHKUWDCJ-LBPRGKRZSA-N -1 0 336.457 3.799 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COc1cccc(C(=O)[O-])c1 ZINC001594297907 999149467 /nfs/dbraw/zinc/14/94/67/999149467.db2.gz BYTGFZUHUKXFLI-KBRIMQKVSA-N -1 0 334.412 3.768 20 0 EHADRM CC(C)Oc1c(NC(=O)N2C[C@@H](C)CC[C@H]2C)cccc1C(=O)[O-] ZINC001594299682 999157082 /nfs/dbraw/zinc/15/70/82/999157082.db2.gz FWBNJOIMUCXCME-QWHCGFSZSA-N -1 0 334.416 3.824 20 0 EHADRM C[C@@H]1CC[C@@H](CCC(=O)Nc2cc(C(=O)[O-])cc(Cl)c2Cl)O1 ZINC001594301784 999165524 /nfs/dbraw/zinc/16/55/24/999165524.db2.gz HQXNVNKWJGZGFY-SCZZXKLOSA-N -1 0 346.210 3.978 20 0 EHADRM CO[C@H](CNC(=O)Nc1c(C)sc(C)c1C(=O)[O-])c1ccccc1 ZINC001599050069 999181418 /nfs/dbraw/zinc/18/14/18/999181418.db2.gz RAUBTLVWHUTHER-CYBMUJFWSA-N -1 0 348.424 3.572 20 0 EHADRM C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC001594329732 999267146 /nfs/dbraw/zinc/26/71/46/999267146.db2.gz CJWPFEDSOGASIV-DNVCBOLYSA-N -1 0 337.419 3.927 20 0 EHADRM C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)c2ccoc2CC(=O)[O-])C1 ZINC001594330716 999271811 /nfs/dbraw/zinc/27/18/11/999271811.db2.gz XDZGBOVYQFELFY-BBRMVZONSA-N -1 0 327.380 3.520 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N(C)[C@@H]2CCC[C@@H](C)C2)cc1)C(=O)[O-] ZINC001594347950 999317305 /nfs/dbraw/zinc/31/73/05/999317305.db2.gz CUKUZPMIIDOPCF-CKEIUWERSA-N -1 0 332.444 3.992 20 0 EHADRM C[C@@H]1CCC[C@@H](NC(=O)CSCc2ccccc2C(=O)[O-])[C@H]1C ZINC001594351183 999332673 /nfs/dbraw/zinc/33/26/73/999332673.db2.gz XGSHINCKVFENEN-DVOMOZLQSA-N -1 0 335.469 3.559 20 0 EHADRM C[C@@H]1CCC[C@@H]1CC(=O)N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001594358073 999354473 /nfs/dbraw/zinc/35/44/73/999354473.db2.gz UFQODCGPNFQUHL-HCKVZZMMSA-N -1 0 343.345 3.774 20 0 EHADRM C[C@H]1CCCN(C(=O)/C=C/c2cc(C(=O)[O-])co2)c2ccccc21 ZINC001594377646 999422996 /nfs/dbraw/zinc/42/29/96/999422996.db2.gz AXRXZYIQHHUWGK-XEHSLEBBSA-N -1 0 325.364 3.922 20 0 EHADRM C[C@H]1CCCN(CC(=O)Nc2cccc(C(=O)[O-])c2)c2ccccc21 ZINC001594382416 999442070 /nfs/dbraw/zinc/44/20/70/999442070.db2.gz CJWFSIHJWJOCIA-AWEZNQCLSA-N -1 0 338.407 3.727 20 0 EHADRM C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)c1ccc(C(=O)[O-])s1 ZINC001594388847 999472743 /nfs/dbraw/zinc/47/27/43/999472743.db2.gz OIFGDWVIXOZGIU-BZNIZROVSA-N -1 0 329.421 3.890 20 0 EHADRM C[C@H]1CCN(C(=O)NCc2ccc(C(=O)[O-])s2)[C@@H](c2ccco2)C1 ZINC001594403266 999512196 /nfs/dbraw/zinc/51/21/96/999512196.db2.gz RMQDOAYKVWWSJV-WCQYABFASA-N -1 0 348.424 3.722 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccc(CC(=O)[O-])cc2)[C@@H](c2ccco2)C1 ZINC001594405428 999517472 /nfs/dbraw/zinc/51/74/72/999517472.db2.gz LOYHHESFKJLDPF-XJKSGUPXSA-N -1 0 342.395 3.912 20 0 EHADRM C[C@H]1CCN(C)c2ccccc2N1Cc1ccc(C(=O)[O-])cc1F ZINC001594423434 999580659 /nfs/dbraw/zinc/58/06/59/999580659.db2.gz RQSXQGMYQVXVFP-ZDUSSCGKSA-N -1 0 328.387 3.759 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCSc2ccccc21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655579439 1016435318 /nfs/dbraw/zinc/43/53/18/1016435318.db2.gz POSMLYFIUXFEHR-CYUUQNCZSA-N -1 0 347.480 3.518 20 0 EHADRM CC[C@H](CC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655580070 1016456094 /nfs/dbraw/zinc/45/60/94/1016456094.db2.gz GBROCGUXTXIUEU-HDEZJCGLSA-N -1 0 331.456 3.822 20 0 EHADRM O=S(=O)([N-]C1(C(F)(F)F)CCCCC1)c1ccc(F)cc1F ZINC000510222379 1016501399 /nfs/dbraw/zinc/50/13/99/1016501399.db2.gz KVMFKYAFNJUUHO-UHFFFAOYSA-N -1 0 343.317 3.508 20 0 EHADRM CC1=C(c2ccco2)CN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1 ZINC000659414645 1016665643 /nfs/dbraw/zinc/66/56/43/1016665643.db2.gz AYJAMHPFMDIZOX-HNNXBMFYSA-N -1 0 348.443 3.605 20 0 EHADRM O=C([O-])C[C@H](C[NH2+]Cc1csc(Cl)c1Cl)C(F)(F)F ZINC000417618191 1040069136 /nfs/dbraw/zinc/06/91/36/1040069136.db2.gz CWJQHVHYZOTQON-ZCFIWIBFSA-N -1 0 336.162 3.798 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@H]2N=c1[n-]nc(C2CCOCC2)s1 ZINC000549107785 1016746269 /nfs/dbraw/zinc/74/62/69/1016746269.db2.gz SGKJOCAIRSXMGV-CQSZACIVSA-N -1 0 347.484 3.881 20 0 EHADRM CC(=O)c1ccc(NC(=O)c2ccc(Br)c([O-])c2)cc1 ZINC000179361253 1016868918 /nfs/dbraw/zinc/86/89/18/1016868918.db2.gz QWGSQHIMINXBQF-UHFFFAOYSA-N -1 0 334.169 3.610 20 0 EHADRM Cc1ccc(NC(=O)Cc2noc(-c3cc(Cl)ccc3[O-])n2)cc1 ZINC000180358921 1016896238 /nfs/dbraw/zinc/89/62/38/1016896238.db2.gz OQXXNWPOVQMTEO-UHFFFAOYSA-N -1 0 343.770 3.585 20 0 EHADRM CCN(C(=O)c1ccc(CSc2ccccc2)cc1)[C@H](C)C(=O)[O-] ZINC000659777313 1017008529 /nfs/dbraw/zinc/00/85/29/1017008529.db2.gz YATANJIXXQUMLF-CQSZACIVSA-N -1 0 343.448 3.914 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N2CCC[C@H]2C(C)C)s1 ZINC000471323220 1017063114 /nfs/dbraw/zinc/06/31/14/1017063114.db2.gz UFWMZEBZVMOWCX-AWEZNQCLSA-N -1 0 348.447 3.727 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)c(O)c1 ZINC000135574208 1017227267 /nfs/dbraw/zinc/22/72/67/1017227267.db2.gz VGZYUEVXZXAKNI-UHFFFAOYSA-N -1 0 341.454 3.561 20 0 EHADRM CC[N@H+](Cc1ncc(-c2cccc(F)c2)o1)C1CCC(C(=O)[O-])CC1 ZINC000584362517 1032200702 /nfs/dbraw/zinc/20/07/02/1032200702.db2.gz FFSJIADUMWHWKE-UHFFFAOYSA-N -1 0 346.402 3.946 20 0 EHADRM O=C([O-])c1coc(C(=O)N2Cc3ccccc3-c3ccccc3C2)c1 ZINC000183782552 1032205946 /nfs/dbraw/zinc/20/59/46/1032205946.db2.gz XNJYNBFWDAFXTC-UHFFFAOYSA-N -1 0 333.343 3.801 20 0 EHADRM O=C([O-])c1coc(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)c1 ZINC000183805977 1032231035 /nfs/dbraw/zinc/23/10/35/1032231035.db2.gz KWLTUVWRAIJNHL-NSHDSACASA-N -1 0 337.784 3.598 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 ZINC001211616304 1032278755 /nfs/dbraw/zinc/27/87/55/1032278755.db2.gz HBUCCJQOHLBTMY-SECBINFHSA-N -1 0 344.436 3.722 20 0 EHADRM O=C(N[C@@H]1CCCOc2ccccc21)c1cc(F)c([O-])c(Cl)c1 ZINC000184352310 1032285527 /nfs/dbraw/zinc/28/55/27/1032285527.db2.gz ZUUAGBYVIVAQEL-CQSZACIVSA-N -1 0 335.762 3.828 20 0 EHADRM CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc([O-])c(Cl)c1 ZINC000023601053 1032291870 /nfs/dbraw/zinc/29/18/70/1032291870.db2.gz PTWKJUFYYDAHLP-UHFFFAOYSA-N -1 0 341.741 3.919 20 0 EHADRM Cc1ccsc1CN=c1[n-]nc(-c2cccc(OC(F)F)c2)o1 ZINC000461211133 1032321601 /nfs/dbraw/zinc/32/16/01/1032321601.db2.gz SMSNMEMZCASNAQ-UHFFFAOYSA-N -1 0 337.351 3.742 20 0 EHADRM FC(F)Oc1cccc(-c2n[n-]c(=NCc3ccc(Cl)o3)o2)c1 ZINC000461197978 1032324676 /nfs/dbraw/zinc/32/46/76/1032324676.db2.gz OEWVXAJWXRNKAB-UHFFFAOYSA-N -1 0 341.701 3.618 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000238094114 1032340326 /nfs/dbraw/zinc/34/03/26/1032340326.db2.gz RIJNNHLTHXRPLH-UHFFFAOYSA-N -1 0 337.847 3.913 20 0 EHADRM O=S(=O)(N[C@@H](c1ccccn1)C1CCC1)c1ccc(Cl)s1 ZINC000528499012 1032360989 /nfs/dbraw/zinc/36/09/89/1032360989.db2.gz HCEZZPGUVBIVMR-CQSZACIVSA-N -1 0 342.873 3.616 20 0 EHADRM Cc1ccc(NC(=O)N2CC[C@H](C)C[C@H]2C(=O)[O-])cc1C(F)(F)F ZINC000392329436 1032377173 /nfs/dbraw/zinc/37/71/73/1032377173.db2.gz ADHLKSHHMYYFKT-ZANVPECISA-N -1 0 344.333 3.731 20 0 EHADRM Cc1ccc([C@@H](C)N(C)C(=O)c2cc3c(cc2O)OCO3)c(C)c1 ZINC000436756760 1032393260 /nfs/dbraw/zinc/39/32/60/1032393260.db2.gz PWHYQEHFFORMCS-CYBMUJFWSA-N -1 0 327.380 3.571 20 0 EHADRM C[C@H]1CCCC[C@H]1CC(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1 ZINC000538470415 1032393475 /nfs/dbraw/zinc/39/34/75/1032393475.db2.gz KXSIULSLQJLLKB-KBPBESRZSA-N -1 0 328.412 3.881 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000538504127 1032402586 /nfs/dbraw/zinc/40/25/86/1032402586.db2.gz DXWGFUIFMCDOHT-HNNXBMFYSA-N -1 0 347.455 3.873 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)CCCc1ccc(C)s1 ZINC000262966840 1032405421 /nfs/dbraw/zinc/40/54/21/1032405421.db2.gz OGSBEYKNZDWXFH-UHFFFAOYSA-N -1 0 333.409 3.725 20 0 EHADRM CC(C)C[C@@H](NC(=O)C[C@]1(C(=O)[O-])CCSC1)c1cccs1 ZINC000147026599 1032412168 /nfs/dbraw/zinc/41/21/68/1032412168.db2.gz XXSFADQYLOOWIZ-MLGOLLRUSA-N -1 0 341.498 3.550 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000263085981 1032433708 /nfs/dbraw/zinc/43/37/08/1032433708.db2.gz DFMKPBWHZXKWOQ-CZUORRHYSA-N -1 0 349.858 3.765 20 0 EHADRM COCC[C@@H](Cc1cccc(-c2ccc(OC)c(OC)c2)c1)C(=O)[O-] ZINC000584422202 1032501932 /nfs/dbraw/zinc/50/19/32/1032501932.db2.gz PSYSRBMSXIVYAL-KRWDZBQOSA-N -1 0 344.407 3.651 20 0 EHADRM CCSc1n[n-]c(=NC(=O)Nc2cccc(SC)c2C)s1 ZINC000537102634 1032511282 /nfs/dbraw/zinc/51/12/82/1032511282.db2.gz LSDZMLLPKYDOIA-UHFFFAOYSA-N -1 0 340.499 3.746 20 0 EHADRM Cc1cccc([C@@H]2CCCCN2C(=O)[C@@H](C)S[C@H](C)C(=O)[O-])c1C ZINC000601990165 1032583335 /nfs/dbraw/zinc/58/33/35/1032583335.db2.gz GPANHMUGUSUTRN-INMHGKMJSA-N -1 0 349.496 3.952 20 0 EHADRM COC(=O)c1cc2cccc(NC(=O)C(C)(C)CCC(=O)[O-])c2s1 ZINC000601993096 1032585024 /nfs/dbraw/zinc/58/50/24/1032585024.db2.gz KXRKQVIBMGSIDW-UHFFFAOYSA-N -1 0 349.408 3.517 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)Nc1cccc(CCC(F)(F)F)c1)C(=O)[O-] ZINC000601992521 1032585204 /nfs/dbraw/zinc/58/52/04/1032585204.db2.gz QWRLCCWXBNJFNG-VHSXEESVSA-N -1 0 349.374 3.715 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)N[C@H]1C[C@@H]2CCC(C)(C)c3cccc1c32 ZINC000414642281 1017103384 /nfs/dbraw/zinc/10/33/84/1017103384.db2.gz LZRSRLVHOGEDTC-BBRMVZONSA-N -1 0 344.455 3.793 20 0 EHADRM COc1cc(C)ccc1NC(=O)c1cccc(Br)c1[O-] ZINC000592846700 1032595499 /nfs/dbraw/zinc/59/54/99/1032595499.db2.gz IMUMNAVXHBRZOV-UHFFFAOYSA-N -1 0 336.185 3.724 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2OC(F)F)sc1C ZINC000091011136 1032615260 /nfs/dbraw/zinc/61/52/60/1032615260.db2.gz OCEMSDQWPWIMEZ-UHFFFAOYSA-N -1 0 333.381 3.767 20 0 EHADRM CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000592975527 1032620623 /nfs/dbraw/zinc/62/06/23/1032620623.db2.gz YBLMJBDNFQBFOF-UHFFFAOYSA-N -1 0 347.415 3.695 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)C(CC)(CC)CC)cc1 ZINC000761005707 1032630774 /nfs/dbraw/zinc/63/07/74/1032630774.db2.gz RVZUFXOHWPFWQL-UHFFFAOYSA-N -1 0 325.474 3.660 20 0 EHADRM C/C(=C\c1cccc(Cl)c1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000761374730 1032647561 /nfs/dbraw/zinc/64/75/61/1032647561.db2.gz CSVJYVJNOBCMSL-FMIVXFBMSA-N -1 0 329.783 3.758 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1ccc2nc(C)oc2c1 ZINC000188336261 1017133422 /nfs/dbraw/zinc/13/34/22/1017133422.db2.gz ADEHJRZSCNKYHS-UHFFFAOYSA-N -1 0 334.422 3.659 20 0 EHADRM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C(F)(F)F ZINC000683465805 1017232220 /nfs/dbraw/zinc/23/22/20/1017232220.db2.gz FZMCOEJOYJVRQD-RNCFNFMXSA-N -1 0 335.347 3.688 20 0 EHADRM COCC[C@H](N=c1[n-]nc(Cc2ccccc2)s1)c1ccc(C)o1 ZINC000574074530 1032691035 /nfs/dbraw/zinc/69/10/35/1032691035.db2.gz UBAZITCNSLFLGB-HNNXBMFYSA-N -1 0 343.452 3.642 20 0 EHADRM Cc1csc(S(=O)(=O)[N-][C@H](c2ccc(C)o2)C(F)(F)F)c1 ZINC000655660164 1017348055 /nfs/dbraw/zinc/34/80/55/1017348055.db2.gz NLIOQNIDFQCNHZ-LLVKDONJSA-N -1 0 339.360 3.540 20 0 EHADRM Cc1cccc(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)c1O ZINC001210191595 1017388484 /nfs/dbraw/zinc/38/84/84/1017388484.db2.gz NPKCFOHLMJCOLC-UHFFFAOYSA-N -1 0 329.377 3.844 20 0 EHADRM Cc1ccc(SCC(=O)N[C@H](CC(=O)[O-])C2CCCCC2)cc1 ZINC000537403257 1032705069 /nfs/dbraw/zinc/70/50/69/1032705069.db2.gz KIQPZRBQMRWBRG-MRXNPFEDSA-N -1 0 335.469 3.627 20 0 EHADRM CC(C)COc1ccc(NC(=O)CC(C)(C)C(=O)[O-])cc1Cl ZINC000236647257 1017534567 /nfs/dbraw/zinc/53/45/67/1017534567.db2.gz HRXHZCQWLJSWQB-UHFFFAOYSA-N -1 0 327.808 3.814 20 0 EHADRM CCOc1cccc(CN=c2[n-]nc(Cc3cccc(F)c3)s2)c1 ZINC000537404914 1032706609 /nfs/dbraw/zinc/70/66/09/1032706609.db2.gz DDTVTFVIARKWMC-UHFFFAOYSA-N -1 0 343.427 3.701 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NCc1nc2c(s1)CCC2 ZINC000669473421 1032709454 /nfs/dbraw/zinc/70/94/54/1032709454.db2.gz QNKICACFPPKFIT-UHFFFAOYSA-N -1 0 332.425 3.729 20 0 EHADRM O=C([O-])C1(CC(=O)NCc2ccc(Cl)cc2F)CCCCC1 ZINC000547957273 1017607373 /nfs/dbraw/zinc/60/73/73/1017607373.db2.gz MGMPFGAFGJKYMU-UHFFFAOYSA-N -1 0 327.783 3.521 20 0 EHADRM CC(C)(C)c1ncc(C(=O)N[C@@H](CC(=O)[O-])C2CCCCC2)s1 ZINC000537412618 1032714240 /nfs/dbraw/zinc/71/42/40/1032714240.db2.gz WMECBNISTPNXIJ-LBPRGKRZSA-N -1 0 338.473 3.594 20 0 EHADRM CCCCCc1nnc(NC(=O)c2ccc(Br)o2)s1 ZINC000020885985 1017694207 /nfs/dbraw/zinc/69/42/07/1017694207.db2.gz OCPCNLKHZWATLO-UHFFFAOYSA-N -1 0 344.234 3.879 20 0 EHADRM C[C@@H](C(F)(F)F)S(=O)(=O)[N-]CC1(Cc2ccccc2)CCCC1 ZINC000545370208 1017703369 /nfs/dbraw/zinc/70/33/69/1017703369.db2.gz LXVRINDCZAHAJI-ZDUSSCGKSA-N -1 0 349.418 3.660 20 0 EHADRM Cc1ccc2c(c1)[C@H]([NH2+]Cc1ncc(Br)cc1O)CC2 ZINC000892921577 1017720465 /nfs/dbraw/zinc/72/04/65/1017720465.db2.gz WLYJTWGVTDZFCJ-CQSZACIVSA-N -1 0 333.229 3.635 20 0 EHADRM CCN(C(=O)NC[C@@H](C)C(=O)[O-])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000655885757 1017858182 /nfs/dbraw/zinc/85/81/82/1017858182.db2.gz TUUOQZARHVVCMT-MNOVXSKESA-N -1 0 346.349 3.519 20 0 EHADRM COc1ncc(Br)cc1Nc1ccc(C(=O)[O-])c(C)c1 ZINC001211649889 1017885143 /nfs/dbraw/zinc/88/51/43/1017885143.db2.gz DOLLDVMCXCGBRN-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM C[C@@H](NC(=O)N(C)[C@H](C)C1CCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655904280 1017894382 /nfs/dbraw/zinc/89/43/82/1017894382.db2.gz SZJAKPCYANMUAL-LUYZLQTOSA-N -1 0 338.492 3.732 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@]2(CC=CCC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655904575 1017895573 /nfs/dbraw/zinc/89/55/73/1017895573.db2.gz LATSZXMZGFAXQN-ZFCANOHDSA-N -1 0 348.487 3.654 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@H](C(C)(C)C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655904039 1017896978 /nfs/dbraw/zinc/89/69/78/1017896978.db2.gz QREUTSODQDMURQ-ZQDZILKHSA-N -1 0 338.492 3.590 20 0 EHADRM CCc1ccc(CN(C)C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655908217 1017904245 /nfs/dbraw/zinc/90/42/45/1017904245.db2.gz OSQQSXMAKJULOX-RRQGHBQHSA-N -1 0 346.471 3.526 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(C)c2O)c(Cl)cc1F ZINC000121860051 1017962878 /nfs/dbraw/zinc/96/28/78/1017962878.db2.gz CFMGUXJCYRSTPZ-UHFFFAOYSA-N -1 0 329.780 3.602 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)C1=C(C(=O)[O-])CCCC1 ZINC000314278733 1017991725 /nfs/dbraw/zinc/99/17/25/1017991725.db2.gz JNTPCJSEDWQVQN-UHFFFAOYSA-N -1 0 327.833 3.705 20 0 EHADRM CCCC[C@H](NC(=O)c1ccc(OCc2ccccc2)cc1)C(=O)[O-] ZINC000075243257 1018003644 /nfs/dbraw/zinc/00/36/44/1018003644.db2.gz SNPMOXODXZOAME-SFHVURJKSA-N -1 0 341.407 3.639 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N2CCCC[C@H]2c2ccccc2)s1 ZINC000574213184 1032742172 /nfs/dbraw/zinc/74/21/72/1032742172.db2.gz WQZLTSJSRBWNET-HNNXBMFYSA-N -1 0 344.484 3.918 20 0 EHADRM C[C@@H](c1nc2ccccc2s1)N(C)Cc1nc(C(=O)[O-])cs1 ZINC000574213455 1032742462 /nfs/dbraw/zinc/74/24/62/1032742462.db2.gz UCOUEUCADRPFQP-VIFPVBQESA-N -1 0 333.438 3.644 20 0 EHADRM O=C(/C=C\c1cncc(F)c1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000255075085 1018095648 /nfs/dbraw/zinc/09/56/48/1018095648.db2.gz GDJAGSOWOPHEEG-UPHRSURJSA-N -1 0 327.142 3.885 20 0 EHADRM C[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)Nc1ccc(F)c(F)c1 ZINC000580028403 1018199835 /nfs/dbraw/zinc/19/98/35/1018199835.db2.gz NPNBEQKZIHGHIZ-LLVKDONJSA-N -1 0 334.322 3.645 20 0 EHADRM COc1ccc2c(c1)OC[C@H]2CC(=O)Nc1cccc(Cl)c1[O-] ZINC000340536669 1018307915 /nfs/dbraw/zinc/30/79/15/1018307915.db2.gz MAABFSDSPZCVAG-SNVBAGLBSA-N -1 0 333.771 3.559 20 0 EHADRM C[C@@H](NC(=O)c1cc(F)c(F)cc1C(=O)[O-])[C@H]1CC2CCC1CC2 ZINC000394249714 1018383412 /nfs/dbraw/zinc/38/34/12/1018383412.db2.gz ZQKRVHSYAPJLKQ-HBIQZDMRSA-N -1 0 337.366 3.608 20 0 EHADRM Cc1cc(Br)c2c(c1)CC[N@@H+](CCCCCC(=O)[O-])C2 ZINC000634692481 1018412671 /nfs/dbraw/zinc/41/26/71/1018412671.db2.gz BQHGJWMLYYOOFM-UHFFFAOYSA-N -1 0 340.261 3.761 20 0 EHADRM CCCCN([C@H](C)CC)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000013251015 1018445062 /nfs/dbraw/zinc/44/50/62/1018445062.db2.gz CTMMFHFMBXQQPN-LLVKDONJSA-N -1 0 347.864 3.628 20 0 EHADRM Cc1cc(Cl)cnc1[N-]S(=O)(=O)c1c(C)cc(F)cc1C ZINC000314511157 1018529357 /nfs/dbraw/zinc/52/93/57/1018529357.db2.gz GQWANSLKTAPCPH-UHFFFAOYSA-N -1 0 328.796 3.600 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000659139701 1018542356 /nfs/dbraw/zinc/54/23/56/1018542356.db2.gz GMGOOYGHGLQTPB-QLJPJBMISA-N -1 0 331.343 3.649 20 0 EHADRM Cc1cc(NC(=O)c2cccc(Cl)c2[O-])cnc1Br ZINC001266567294 1018545446 /nfs/dbraw/zinc/54/54/46/1018545446.db2.gz XPKIYXCEAZIYOR-UHFFFAOYSA-N -1 0 341.592 3.764 20 0 EHADRM C[C@@H](CN(C(=O)c1cc2cc(Cl)ccc2s1)C1CC1)C(=O)[O-] ZINC000659141530 1018620700 /nfs/dbraw/zinc/62/07/00/1018620700.db2.gz DAWVIKWXAGAOOO-VIFPVBQESA-N -1 0 337.828 3.880 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cc2cc(F)ccc2s1 ZINC000261687462 1018634399 /nfs/dbraw/zinc/63/43/99/1018634399.db2.gz IUINJZISDPWAJD-CYBMUJFWSA-N -1 0 335.400 3.900 20 0 EHADRM COCCc1ccc(-c2ccc(OC)c(C(=O)CCC(=O)[O-])c2)cc1 ZINC000580096894 1018636110 /nfs/dbraw/zinc/63/61/10/1018636110.db2.gz SHMPTSKLYXGSEM-UHFFFAOYSA-N -1 0 342.391 3.599 20 0 EHADRM Cc1cnc([C@H](C)/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])s1 ZINC000175894870 1018653579 /nfs/dbraw/zinc/65/35/79/1018653579.db2.gz DDPVQPNKFONBEI-VLYAYIKJSA-N -1 0 325.777 3.899 20 0 EHADRM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)cn2)cc1 ZINC000580177768 1018737140 /nfs/dbraw/zinc/73/71/40/1018737140.db2.gz NIOXIUSCZJMYRE-UHFFFAOYSA-N -1 0 334.441 3.760 20 0 EHADRM Cc1cc(CCNC(=O)C[C@H](C(=O)[O-])c2ccccc2)ccc1Cl ZINC000642784681 1018808099 /nfs/dbraw/zinc/80/80/99/1018808099.db2.gz WOKBXNQARLMMPS-INIZCTEOSA-N -1 0 345.826 3.566 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)c(C)o1 ZINC000345096528 1019112399 /nfs/dbraw/zinc/11/23/99/1019112399.db2.gz ULDVIUJFMFFNHS-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM COc1cc(C(=O)[O-])cc(NCc2ccc3ncccc3c2)c1OC ZINC000340671390 1019151505 /nfs/dbraw/zinc/15/15/05/1019151505.db2.gz NTODJIWKJMJSLZ-UHFFFAOYSA-N -1 0 338.363 3.562 20 0 EHADRM CC(C)(C)c1nc(CN[C@]2(C(=O)[O-])CCc3c2cccc3F)cs1 ZINC000340671183 1019151530 /nfs/dbraw/zinc/15/15/30/1019151530.db2.gz KVKCOPDYEMWDBV-GOSISDBHSA-N -1 0 348.443 3.596 20 0 EHADRM COc1cc(C(=O)[O-])cc(NCc2cc3cc(F)ccc3o2)c1OC ZINC000340674501 1019154548 /nfs/dbraw/zinc/15/45/48/1019154548.db2.gz GCGOIPYKPSSHNJ-UHFFFAOYSA-N -1 0 345.326 3.899 20 0 EHADRM COc1ccc(C(=O)[O-])cc1NCc1c[nH]nc1-c1ccc(F)cc1 ZINC000340675388 1019155928 /nfs/dbraw/zinc/15/59/28/1019155928.db2.gz GJPSZBYRUARWKY-UHFFFAOYSA-N -1 0 341.342 3.535 20 0 EHADRM CC(C)(C)CCCC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000729089991 1019182597 /nfs/dbraw/zinc/18/25/97/1019182597.db2.gz IKFGAHHDUKNMAM-UHFFFAOYSA-N -1 0 335.828 3.500 20 0 EHADRM CCCC[C@H](NC(=O)Nc1ncc(-c2ccccc2)s1)C(=O)[O-] ZINC000683920450 1019236745 /nfs/dbraw/zinc/23/67/45/1019236745.db2.gz ANYOMEYQNRSJKP-LBPRGKRZSA-N -1 0 333.413 3.575 20 0 EHADRM COc1ccc(NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)cc1 ZINC000683921155 1019242229 /nfs/dbraw/zinc/24/22/29/1019242229.db2.gz ILIMDJFRRSVBBE-IRXDYDNUSA-N -1 0 340.379 3.517 20 0 EHADRM O=C([N-]S(=O)(=O)c1cccs1)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000050204582 1019265047 /nfs/dbraw/zinc/26/50/47/1019265047.db2.gz AGWULANNXFZOFW-NEPJUHHUSA-N -1 0 341.841 3.850 20 0 EHADRM Cc1cccc([C@@H](C)C(=O)N=c2nc(Cc3ccccc3)[n-]s2)c1 ZINC000606778504 1032825821 /nfs/dbraw/zinc/82/58/21/1032825821.db2.gz ZVVDBRMMLSPMTH-CQSZACIVSA-N -1 0 337.448 3.601 20 0 EHADRM O=C([O-])[C@H]1CC[C@H]1C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000262089880 1019534496 /nfs/dbraw/zinc/53/44/96/1019534496.db2.gz LIOQVWZZHOOBPL-OLZOCXBDSA-N -1 0 337.803 3.711 20 0 EHADRM C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)[C@H]3CC[C@@H]3C(=O)[O-])c2)C1 ZINC000262182063 1019557497 /nfs/dbraw/zinc/55/74/97/1019557497.db2.gz RAHRRZZMHBFLIS-QCSYZSNVSA-N -1 0 345.439 3.831 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000262197121 1019562753 /nfs/dbraw/zinc/56/27/53/1019562753.db2.gz RUFNRFRQRGLRHB-UHFFFAOYSA-N -1 0 327.380 3.618 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)C[C@@H](C)CC(=O)[O-])c(F)c1 ZINC000656248428 1019598069 /nfs/dbraw/zinc/59/80/69/1019598069.db2.gz CEWDRDJVYJPPBK-GFCCVEGCSA-N -1 0 325.380 3.690 20 0 EHADRM CC(C)c1noc(=N[C@H](COCc2ccccc2)c2ccccc2)[n-]1 ZINC000433778300 1019600364 /nfs/dbraw/zinc/60/03/64/1019600364.db2.gz WHRAYZADVWXDHH-GOSISDBHSA-N -1 0 337.423 3.985 20 0 EHADRM CCC[C@@H](N=c1[n-]c(C(=O)OC)c(C)s1)c1ccc(F)cc1F ZINC000433774431 1019611805 /nfs/dbraw/zinc/61/18/05/1019611805.db2.gz LVCDUEWZVZGQTD-CYBMUJFWSA-N -1 0 340.395 3.892 20 0 EHADRM CC(C)C[C@H](C)OCCC(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1 ZINC000262528615 1019655142 /nfs/dbraw/zinc/65/51/42/1019655142.db2.gz OGYBMXWJUPXABO-AWEZNQCLSA-N -1 0 346.427 3.506 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C[C@H]1OCCc2ccccc21 ZINC000262559691 1019663707 /nfs/dbraw/zinc/66/37/07/1019663707.db2.gz VYQOZANCXBIGIM-GOSISDBHSA-N -1 0 339.391 3.644 20 0 EHADRM C[C@H]1CC[C@]2(CCN(C(=O)N=c3[n-]nc(-c4ccccc4)s3)C2)C1 ZINC000513441547 1019679039 /nfs/dbraw/zinc/67/90/39/1019679039.db2.gz BSWVQQSHMDMGEF-UGSOOPFHSA-N -1 0 342.468 3.671 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)c1cc(F)c(Cl)cc1Cl ZINC000262837211 1019744256 /nfs/dbraw/zinc/74/42/56/1019744256.db2.gz CSTVQXJIVUAQPT-AWEZNQCLSA-N -1 0 336.190 3.752 20 0 EHADRM C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)CC[C@H]1C(=O)[O-] ZINC000262871514 1019752172 /nfs/dbraw/zinc/75/21/72/1019752172.db2.gz GCFRCYLTCSBQAT-CODKJTEISA-N -1 0 337.419 3.513 20 0 EHADRM CO[C@H](C)c1nc(=N[C@H](C)c2ccc(Br)s2)s[n-]1 ZINC000509930511 1019782914 /nfs/dbraw/zinc/78/29/14/1019782914.db2.gz ZVFKNQODLXAUOG-RNFRBKRXSA-N -1 0 348.291 3.665 20 0 EHADRM COc1cc(NC(=O)c2sc(C)nc2CC(C)C)ccc1C(=O)[O-] ZINC000263070626 1019807238 /nfs/dbraw/zinc/80/72/38/1019807238.db2.gz YDZNCYVIGDPAFS-UHFFFAOYSA-N -1 0 348.424 3.609 20 0 EHADRM CCCc1ccc(S(=O)(=O)Nc2cc(NC(C)=O)ccc2C)cc1 ZINC000057497999 1019886225 /nfs/dbraw/zinc/88/62/25/1019886225.db2.gz PZQLVTNNAULOSZ-UHFFFAOYSA-N -1 0 346.452 3.707 20 0 EHADRM Cc1ccc(NC(=O)N([C@@H](Cc2ccccc2)C(=O)[O-])C2CC2)cc1 ZINC000580751653 1019975244 /nfs/dbraw/zinc/97/52/44/1019975244.db2.gz JGJOHBMCPBXWEZ-SFHVURJKSA-N -1 0 338.407 3.687 20 0 EHADRM COc1ccc([C@H](NC(=O)CC2CCC(C(=O)[O-])CC2)C2CC2)cc1 ZINC000580776082 1019999289 /nfs/dbraw/zinc/99/92/89/1019999289.db2.gz LTXDJMOXXGHAEZ-NSRCDFIJSA-N -1 0 345.439 3.544 20 0 EHADRM COC(C)(C)CC(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000280039930 1020006719 /nfs/dbraw/zinc/00/67/19/1020006719.db2.gz ZKPAYFQRJPCPJE-UHFFFAOYSA-N -1 0 336.613 3.562 20 0 EHADRM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1ncccc1[O-] ZINC000345236556 1020082731 /nfs/dbraw/zinc/08/27/31/1020082731.db2.gz GHLXOGPJWAULDC-CQSZACIVSA-N -1 0 325.412 3.727 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1C ZINC000055652243 1020098321 /nfs/dbraw/zinc/09/83/21/1020098321.db2.gz IMVAZUGWWRCQQX-UHFFFAOYSA-N -1 0 335.425 3.592 20 0 EHADRM CCCN(CC(F)F)[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000580956180 1020306370 /nfs/dbraw/zinc/30/63/70/1020306370.db2.gz YHNZEKHIBYXRME-GFCCVEGCSA-N -1 0 325.277 3.808 20 0 EHADRM Cc1ccc2c(c1)CN(C(=O)c1s[n-]c(=O)c1Cl)C(C)(C)C2 ZINC000513693384 1020319849 /nfs/dbraw/zinc/31/98/49/1020319849.db2.gz DPHYZHRZPIYLMF-UHFFFAOYSA-N -1 0 336.844 3.788 20 0 EHADRM COc1c(C)cc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)cc1C ZINC000548150146 1020320610 /nfs/dbraw/zinc/32/06/10/1020320610.db2.gz QYOROGQNRZXRQK-UHFFFAOYSA-N -1 0 330.409 3.594 20 0 EHADRM O=C([O-])c1ccc(C=C(Cl)c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000050663128 1020354684 /nfs/dbraw/zinc/35/46/84/1020354684.db2.gz UPDVKAYDEDFHHH-KPKJPENVSA-N -1 0 343.726 3.906 20 0 EHADRM CCCCN(Cc1ccccc1Cl)C(=O)CC(C)(C)C(=O)[O-] ZINC000581034624 1020372429 /nfs/dbraw/zinc/37/24/29/1020372429.db2.gz JWKFCNJOBUYCCZ-UHFFFAOYSA-N -1 0 325.836 3.970 20 0 EHADRM COc1cccc([C@H]2C[C@H]2C(=O)Nc2ccc3[n-]c(=S)oc3c2)c1 ZINC000160744016 1020386196 /nfs/dbraw/zinc/38/61/96/1020386196.db2.gz KOQAQODCBRXHID-ZIAGYGMSSA-N -1 0 340.404 3.867 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cncn1-c1ccc(F)cc1 ZINC000345627214 1020401757 /nfs/dbraw/zinc/40/17/57/1020401757.db2.gz AIZDZQKQCCXXQX-UHFFFAOYSA-N -1 0 349.724 3.762 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)C1 ZINC000325838637 1020419927 /nfs/dbraw/zinc/41/99/27/1020419927.db2.gz VUPJXWMHXHKLLY-JHJVBQTASA-N -1 0 349.393 3.705 20 0 EHADRM COCCCC[C@H](N=c1[n-]nc(C(F)F)s1)c1ccccc1 ZINC000340862676 1020475789 /nfs/dbraw/zinc/47/57/89/1020475789.db2.gz VVTROGFTYYLIGA-LBPRGKRZSA-N -1 0 327.400 3.868 20 0 EHADRM Cc1ccc(C)c(C(=O)N[C@H]2CCSc3ccccc32)c1C(=O)[O-] ZINC000326554067 1032904496 /nfs/dbraw/zinc/90/44/96/1032904496.db2.gz BYGQBYRFIQXRME-AWEZNQCLSA-N -1 0 341.432 3.969 20 0 EHADRM CCSc1ccc([C@@H](C)NC(=O)N([C@H](C)C(=O)[O-])C2CC2)cc1 ZINC000581169496 1020498499 /nfs/dbraw/zinc/49/84/99/1020498499.db2.gz UUBRPRHAZUCFOV-VXGBXAGGSA-N -1 0 336.457 3.507 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)CCCc2ccc(F)cc2)c1 ZINC000581201133 1020515203 /nfs/dbraw/zinc/51/52/03/1020515203.db2.gz VSIYVQOFYAHMLN-UHFFFAOYSA-N -1 0 329.371 3.804 20 0 EHADRM COc1ccc(C(=O)[O-])cc1-c1ccc(O[C@H]2CCOC2)c(C)c1 ZINC000581201655 1020515335 /nfs/dbraw/zinc/51/53/35/1020515335.db2.gz DTODEXDULUKWBF-HNNXBMFYSA-N -1 0 328.364 3.537 20 0 EHADRM O=C(c1c([O-])cc(F)cc1F)N1CCC[C@@H]1CCc1ccccc1 ZINC000066047443 1020522771 /nfs/dbraw/zinc/52/27/71/1020522771.db2.gz QRBKGAGDMQYELY-OAHLLOKOSA-N -1 0 331.362 3.908 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cc2ccccc2[nH]1)c1ccc(Cl)cc1 ZINC000345914734 1020590441 /nfs/dbraw/zinc/59/04/41/1020590441.db2.gz UQAGAVIETFZLKP-OAHLLOKOSA-N -1 0 342.782 3.767 20 0 EHADRM Cc1c(F)c(Br)ccc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000656486095 1020705938 /nfs/dbraw/zinc/70/59/38/1020705938.db2.gz ICUZDJUUJPWKID-UHFFFAOYSA-N -1 0 346.196 3.726 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cccc(Br)c2F)CCCC1 ZINC000656485898 1020707438 /nfs/dbraw/zinc/70/74/38/1020707438.db2.gz SGLNTYAEBPJBFS-UHFFFAOYSA-N -1 0 344.180 3.562 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1cccc2c1ccn2C(F)F ZINC000656487574 1020709977 /nfs/dbraw/zinc/70/99/77/1020709977.db2.gz VNPJTVWPAFTEMC-MNOVXSKESA-N -1 0 334.322 3.642 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)NCC[C@]1(C)CC1(F)F)C1CCCCC1 ZINC000656485648 1020711626 /nfs/dbraw/zinc/71/16/26/1020711626.db2.gz HCFISKIKDNBEFX-HZPDHXFCSA-N -1 0 331.403 3.599 20 0 EHADRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c1C ZINC000340973561 1020720078 /nfs/dbraw/zinc/72/00/78/1020720078.db2.gz QMBLKNOSBJPVBX-SNVBAGLBSA-N -1 0 343.399 3.901 20 0 EHADRM Cc1coc(-c2ccc(C)c(NC(=O)NO[C@@H]3CCCCO3)c2)n1 ZINC000156198736 1020863800 /nfs/dbraw/zinc/86/38/00/1020863800.db2.gz ANYYPCDZPXLXMP-OAHLLOKOSA-N -1 0 331.372 3.538 20 0 EHADRM Cc1cc(Cl)c(NC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1Cl ZINC000389928391 1020881445 /nfs/dbraw/zinc/88/14/45/1020881445.db2.gz VGLUFNOMTPHYJP-VHSXEESVSA-N -1 0 345.226 3.876 20 0 EHADRM O=C([O-])[C@H]1CCCCN1C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000581507583 1021028199 /nfs/dbraw/zinc/02/81/99/1021028199.db2.gz KDYACXDPSOMIFB-QGZVFWFLSA-N -1 0 346.427 3.617 20 0 EHADRM c1ccc2c(c1)nc(CN=c1nc(C3CCCC3)[n-]s1)n2C1CC1 ZINC000581541662 1021068520 /nfs/dbraw/zinc/06/85/20/1021068520.db2.gz CXQYOFCLPPRUEE-UHFFFAOYSA-N -1 0 339.468 3.914 20 0 EHADRM O=C(NCCCc1ccc(Cl)cc1)c1s[n-]c(=O)c1Cl ZINC000581553495 1021081607 /nfs/dbraw/zinc/08/16/07/1021081607.db2.gz RMHUKZQXTRHNEC-UHFFFAOYSA-N -1 0 331.224 3.518 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC000581617021 1021154043 /nfs/dbraw/zinc/15/40/43/1021154043.db2.gz GQNBYMQEMMZITJ-BUXKBTBVSA-N -1 0 342.443 3.887 20 0 EHADRM C[C@@H](CC1CC1)NC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000436770142 1021217563 /nfs/dbraw/zinc/21/75/63/1021217563.db2.gz LJYSAEBKVZQBNI-ZETCQYMHSA-N -1 0 332.625 3.727 20 0 EHADRM CC[C@](C)([N-]S(=O)(=O)Cc1cc(F)ccc1Cl)C(F)(F)F ZINC000656731250 1021219945 /nfs/dbraw/zinc/21/99/45/1021219945.db2.gz NEWNIWGYVIMQQN-NSHDSACASA-N -1 0 347.761 3.630 20 0 EHADRM FC(F)(F)c1nsc(=NC[C@H]2CCCC[C@H]2C(F)(F)F)[n-]1 ZINC000436782691 1021223972 /nfs/dbraw/zinc/22/39/72/1021223972.db2.gz PCXPXRQOKYDXRE-RNFRBKRXSA-N -1 0 333.301 3.759 20 0 EHADRM Cc1cccc2c1CN(C(=O)c1cccc(Br)c1[O-])CC2 ZINC000518467863 1021224748 /nfs/dbraw/zinc/22/47/48/1021224748.db2.gz AAADFPJMJVBVKY-UHFFFAOYSA-N -1 0 346.224 3.662 20 0 EHADRM Cc1cc(COc2ccc(-c3n[n-]c(=N)o3)cc2)c2ccccc2n1 ZINC000439198277 1021232888 /nfs/dbraw/zinc/23/28/88/1021232888.db2.gz CDGSEKLBJKSUHQ-UHFFFAOYSA-N -1 0 332.363 3.585 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2nccc(C)c2C2CC2)cc1C ZINC000656739228 1021235347 /nfs/dbraw/zinc/23/53/47/1021235347.db2.gz WWWRGHVWJHUYGF-UHFFFAOYSA-N -1 0 346.452 3.694 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1ccccc1Oc1cccc(F)c1 ZINC000507399733 1021239948 /nfs/dbraw/zinc/23/99/48/1021239948.db2.gz FNSHZJFCKMMIQZ-ZIAGYGMSSA-N -1 0 329.327 3.667 20 0 EHADRM Cc1ccc(C(F)(F)F)c([N-]S(=O)(=O)c2cn(C(C)C)cn2)c1 ZINC000656741343 1021241538 /nfs/dbraw/zinc/24/15/38/1021241538.db2.gz BUAFEZNGWSWYPW-UHFFFAOYSA-N -1 0 347.362 3.592 20 0 EHADRM O=C(c1c([O-])cc(Cl)cc1Cl)N1CCC[C@H](OCC2CC2)C1 ZINC000436818546 1021245811 /nfs/dbraw/zinc/24/58/11/1021245811.db2.gz FPUXKWNUWNLMRB-LBPRGKRZSA-N -1 0 344.238 3.730 20 0 EHADRM COc1ccc2c(c1)CCC[C@@H]2CNC(=O)c1ccc([O-])c(Cl)c1 ZINC000436802617 1021247909 /nfs/dbraw/zinc/24/79/09/1021247909.db2.gz JFYXEDVIZASYCS-CQSZACIVSA-N -1 0 345.826 3.904 20 0 EHADRM C[C@@H](O)C[C@H]1CCCCN1C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436811905 1021255807 /nfs/dbraw/zinc/25/58/07/1021255807.db2.gz WFHWKLLUKXNWNV-CHWSQXEVSA-N -1 0 347.842 3.964 20 0 EHADRM CN(CCc1ccccc1O)C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000436830935 1021261627 /nfs/dbraw/zinc/26/16/27/1021261627.db2.gz DPIBWOMHXKSVLM-UHFFFAOYSA-N -1 0 340.206 3.719 20 0 EHADRM c1ccc2c(c1)C[C@H](c1n[n-]c(=NCc3ccc4c(c3)CCCC4)o1)O2 ZINC000427255815 1021262282 /nfs/dbraw/zinc/26/22/82/1021262282.db2.gz IDJYRGQSNZJPRR-LJQANCHMSA-N -1 0 347.418 3.659 20 0 EHADRM CCOC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000436837784 1021271595 /nfs/dbraw/zinc/27/15/95/1021271595.db2.gz HUUWXTMQTVIILJ-UHFFFAOYSA-N -1 0 325.773 3.536 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1cc2ccccc2c(=O)[nH]1 ZINC000353894407 1021279373 /nfs/dbraw/zinc/27/93/73/1021279373.db2.gz VEWYLZUQEZDTLF-UHFFFAOYSA-N -1 0 332.718 3.691 20 0 EHADRM COc1ccc(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)c(O)c1 ZINC000436850617 1021293682 /nfs/dbraw/zinc/29/36/82/1021293682.db2.gz ILTPBCTZXADIFM-UHFFFAOYSA-N -1 0 347.370 3.884 20 0 EHADRM Cc1oc(CN2C[C@@H](c3cccc(F)c3)OCC2(C)C)cc1C(=O)[O-] ZINC000656765363 1021297836 /nfs/dbraw/zinc/29/78/36/1021297836.db2.gz KTEZQTDNUXRPAC-KRWDZBQOSA-N -1 0 347.386 3.777 20 0 EHADRM C[C@@H](CC(=O)c1ccccc1F)C(=O)Nc1ccc(F)c(F)c1[O-] ZINC001625987958 1032966228 /nfs/dbraw/zinc/96/62/28/1032966228.db2.gz JYQUFSUXWBBLJU-VIFPVBQESA-N -1 0 337.297 3.657 20 0 EHADRM Cc1cc(NC(=O)c2c(O)cccc2O)ccc1Oc1ccncc1 ZINC000436863231 1021300133 /nfs/dbraw/zinc/30/01/33/1021300133.db2.gz JSLOEODOJUTXSF-UHFFFAOYSA-N -1 0 336.347 3.846 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CCCOc2ccccc2C)c1 ZINC000436873212 1021312988 /nfs/dbraw/zinc/31/29/88/1021312988.db2.gz RPXNWAGKVYZUOY-UHFFFAOYSA-N -1 0 327.380 3.701 20 0 EHADRM Cc1ccc2ncc(-c3noc(-c4ccc(Cl)cc4[O-])n3)n2c1 ZINC000436878725 1021327116 /nfs/dbraw/zinc/32/71/16/1021327116.db2.gz CVOXXFVFIYSELT-UHFFFAOYSA-N -1 0 326.743 3.719 20 0 EHADRM COCc1csc(CNc2ncnc3sc(C(=O)[O-])c(C)c32)c1 ZINC000656784442 1021335050 /nfs/dbraw/zinc/33/50/50/1021335050.db2.gz QZASLRSYMAAARM-UHFFFAOYSA-N -1 0 349.437 3.518 20 0 EHADRM O=C(Nc1nc(C(F)(F)F)cs1)c1cc(F)c([O-])c(Cl)c1 ZINC000436888770 1021340711 /nfs/dbraw/zinc/34/07/11/1021340711.db2.gz OSECASKOAUCHBG-UHFFFAOYSA-N -1 0 340.685 3.912 20 0 EHADRM COC1CCC(CCNC(=O)c2cc(F)c([O-])c(Cl)c2)CC1 ZINC000436895417 1021361083 /nfs/dbraw/zinc/36/10/83/1021361083.db2.gz IZLZZQVHLXUZLW-UHFFFAOYSA-N -1 0 329.799 3.510 20 0 EHADRM O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000436930780 1021368718 /nfs/dbraw/zinc/36/87/18/1021368718.db2.gz IJYWSSXEXWSGMG-GFCCVEGCSA-N -1 0 341.304 3.682 20 0 EHADRM O=C(Nc1ccc(Cn2cccn2)cc1)c1cc(F)c([O-])c(Cl)c1 ZINC000436923157 1021381440 /nfs/dbraw/zinc/38/14/40/1021381440.db2.gz RVWXFPGIMTVEEX-UHFFFAOYSA-N -1 0 345.761 3.682 20 0 EHADRM C[C@@H](CNC(=O)c1cc(F)c([O-])c(Cl)c1)c1ccc(F)cc1 ZINC000436922498 1021381461 /nfs/dbraw/zinc/38/14/61/1021381461.db2.gz NVJMNWSJYPSUOT-VIFPVBQESA-N -1 0 325.742 3.857 20 0 EHADRM CC(=O)c1cc(NS(=O)(=O)c2cccc(Cl)c2C)ccc1F ZINC000507638922 1021405494 /nfs/dbraw/zinc/40/54/94/1021405494.db2.gz UUVYRIJCLGHCJV-UHFFFAOYSA-N -1 0 341.791 3.791 20 0 EHADRM CN(C(=O)c1ccc(Cl)cc1O)[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000436964913 1021412224 /nfs/dbraw/zinc/41/22/24/1021412224.db2.gz IBKLEVXZYONHFB-MRXNPFEDSA-N -1 0 341.798 3.630 20 0 EHADRM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)c1ccc(O)cc1 ZINC000436964744 1021412607 /nfs/dbraw/zinc/41/26/07/1021412607.db2.gz SFBCWXZUHOOXHE-MOPGFXCFSA-N -1 0 337.419 3.760 20 0 EHADRM CC(C)Cn1ncc(NC(=O)c2cc(F)c([O-])c(F)c2)c1C(C)C ZINC000436968381 1021414715 /nfs/dbraw/zinc/41/47/15/1021414715.db2.gz UBFJZNGODROKLK-UHFFFAOYSA-N -1 0 337.370 3.899 20 0 EHADRM CCOc1ccc(NC(=O)c2c([O-])cccc2F)c2ncccc12 ZINC000436977751 1021434084 /nfs/dbraw/zinc/43/40/84/1021434084.db2.gz SLLSNLXHIWSQOP-UHFFFAOYSA-N -1 0 326.327 3.731 20 0 EHADRM O=C(Nc1ccc(-n2cccn2)c(Cl)c1)c1c([O-])cccc1F ZINC000436979454 1021437402 /nfs/dbraw/zinc/43/74/02/1021437402.db2.gz LYGUOGGSNZPBIM-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM C[C@H](NC(=O)[C@H](C)C(=O)[O-])c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000656851916 1021484289 /nfs/dbraw/zinc/48/42/89/1021484289.db2.gz RZIMCUPIVXZOQF-KKUMJFAQSA-N -1 0 341.407 3.725 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C[C@]23CCCC[C@H]2C3(F)F)c(F)c1 ZINC000656852342 1021484862 /nfs/dbraw/zinc/48/48/62/1021484862.db2.gz ZDEMGZAYEVTEPL-IUODEOHRSA-N -1 0 327.302 3.678 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCCOCc1ccccc1)C1CCCCC1 ZINC000346001614 1021494135 /nfs/dbraw/zinc/49/41/35/1021494135.db2.gz QBUSLTZQMAPYLT-SFHVURJKSA-N -1 0 347.455 3.523 20 0 EHADRM CSc1ccc(CCCC(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])cc1 ZINC000518775830 1021534863 /nfs/dbraw/zinc/53/48/63/1021534863.db2.gz XBCBNZFHHLNTDY-QFBILLFUSA-N -1 0 349.496 3.881 20 0 EHADRM C[C@H](NC(=O)N=c1nc(-c2ccccc2)[n-]s1)C1CCCCC1 ZINC000440588047 1021642430 /nfs/dbraw/zinc/64/24/30/1021642430.db2.gz KWLYFLYKYXXWLV-LBPRGKRZSA-N -1 0 330.457 3.717 20 0 EHADRM O=c1nc(-c2cscn2)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000516703456 1021671493 /nfs/dbraw/zinc/67/14/93/1021671493.db2.gz WFHFTRZCPWMCLU-UHFFFAOYSA-N -1 0 329.381 3.914 20 0 EHADRM O=C(NCc1ccc2sccc2c1)c1cc(F)c(F)c([O-])c1F ZINC000426485114 1021688497 /nfs/dbraw/zinc/68/84/97/1021688497.db2.gz MQLKHKZCKPLRQX-UHFFFAOYSA-N -1 0 337.322 3.954 20 0 EHADRM CC(C)(C)c1cnc([N-]S(=O)(=O)c2ccccc2Cl)s1 ZINC000437328006 1021737534 /nfs/dbraw/zinc/73/75/34/1021737534.db2.gz LZDIBKSODJSTEV-UHFFFAOYSA-N -1 0 330.862 3.895 20 0 EHADRM Cc1ccc([C@H]2CCN(C(=O)c3nn(-c4ccccc4)cc3[O-])C2)cc1 ZINC000516811037 1021746379 /nfs/dbraw/zinc/74/63/79/1021746379.db2.gz ABUWOCLBESDHOV-KRWDZBQOSA-N -1 0 347.418 3.516 20 0 EHADRM O=C([O-])C1(CC(=O)NCc2cccc(Cl)c2Cl)CCCC1 ZINC000519893901 1021753778 /nfs/dbraw/zinc/75/37/78/1021753778.db2.gz IVGPXPIVTYGGGG-UHFFFAOYSA-N -1 0 330.211 3.645 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cn2)c(Cl)c1Cl ZINC000437390534 1021777302 /nfs/dbraw/zinc/77/73/02/1021777302.db2.gz ABJSZMYLIHUIQN-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccnc(-c2ccccc2)c1 ZINC000437410516 1021804567 /nfs/dbraw/zinc/80/45/67/1021804567.db2.gz UDTWHWFRMIRNCU-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1cccc2c1CCC2 ZINC000439917293 1021823153 /nfs/dbraw/zinc/82/31/53/1021823153.db2.gz HDFRMIPVYZLNGX-UHFFFAOYSA-N -1 0 337.419 3.683 20 0 EHADRM C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1Cc1ccoc1C(=O)[O-] ZINC000516932620 1021866672 /nfs/dbraw/zinc/86/66/72/1021866672.db2.gz WSQVVRTVWPATCB-IAQYHMDHSA-N -1 0 335.787 3.593 20 0 EHADRM CC[C@H](c1ccc(Cl)cc1Cl)N1CCO[C@H](CC(=O)[O-])C1 ZINC000516932268 1021868460 /nfs/dbraw/zinc/86/84/60/1021868460.db2.gz HXRQMDZVIYMUME-BXUZGUMPSA-N -1 0 332.227 3.620 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)c2cccc(C)c2Cl)c1 ZINC000516947195 1021882659 /nfs/dbraw/zinc/88/26/59/1021882659.db2.gz CFNHGKPVSHEZNB-HNNXBMFYSA-N -1 0 347.798 3.603 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000437547406 1021948299 /nfs/dbraw/zinc/94/82/99/1021948299.db2.gz MUIDEMGKJNTXDX-UHFFFAOYSA-N -1 0 333.844 3.794 20 0 EHADRM COc1cc(CN=c2nc(C3CC3)[n-]s2)ccc1OCCC(C)C ZINC000426573794 1021954483 /nfs/dbraw/zinc/95/44/83/1021954483.db2.gz QDFWPEMBTIABKT-UHFFFAOYSA-N -1 0 347.484 3.883 20 0 EHADRM CC(C)c1csc([N-]S(=O)(=O)CCc2cccc(Cl)c2)n1 ZINC000506802598 1022036196 /nfs/dbraw/zinc/03/61/96/1022036196.db2.gz CYBLRWZDCIKVBD-UHFFFAOYSA-N -1 0 344.889 3.904 20 0 EHADRM CC(C)COc1ccc([N-]S(=O)(=O)c2ccco2)cc1Cl ZINC000437673581 1022042966 /nfs/dbraw/zinc/04/29/66/1022042966.db2.gz ZGNJYPNLDCYWSV-UHFFFAOYSA-N -1 0 329.805 3.769 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)Nc1ccc2oc(C(C)C)nc2c1 ZINC000517194822 1022107011 /nfs/dbraw/zinc/10/70/11/1022107011.db2.gz JRSOBDVMJBXGDI-UHFFFAOYSA-N -1 0 333.388 3.526 20 0 EHADRM CCc1ccccc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000142074608 1033037465 /nfs/dbraw/zinc/03/74/65/1033037465.db2.gz ZZHLMZIBJVZXGA-UHFFFAOYSA-N -1 0 345.342 3.948 20 0 EHADRM C[C@H](C(=O)N[C@@H]1CCC[C@]1(C)C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000659239834 1022242371 /nfs/dbraw/zinc/24/23/71/1022242371.db2.gz WKDLJIFTOLFRSM-VAHXTSCQSA-N -1 0 344.238 3.857 20 0 EHADRM Cc1cc(S(=O)(=O)N[C@@H](C)CCc2ccco2)sc1Cl ZINC000473908121 1022257019 /nfs/dbraw/zinc/25/70/19/1022257019.db2.gz CVDFLLJOLHMQIG-JTQLQIEISA-N -1 0 333.862 3.603 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(C)C(=O)N=c1[n-]nc(C(C)(C)C)s1 ZINC000437907649 1022260384 /nfs/dbraw/zinc/26/03/84/1022260384.db2.gz UOMRTOKWLWAANJ-AWEZNQCLSA-N -1 0 346.500 3.743 20 0 EHADRM Cc1nc(COC(C)(C)C)oc1C(=O)Nc1ccc(F)c(F)c1[O-] ZINC000517381498 1022284181 /nfs/dbraw/zinc/28/41/81/1022284181.db2.gz LEOBMXQXQYJCPR-UHFFFAOYSA-N -1 0 340.326 3.534 20 0 EHADRM CC(C)[C@@H](C)N(C)C(=O)N=c1[n-]nc(C(C)(C)c2ccccc2)s1 ZINC000517373342 1022291868 /nfs/dbraw/zinc/29/18/68/1022291868.db2.gz OUTKMPKMNPOFOV-CYBMUJFWSA-N -1 0 346.500 3.794 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N2C[C@@H](C)[C@H](C)C2)s1)c1ccccc1 ZINC000438017858 1022325726 /nfs/dbraw/zinc/32/57/26/1022325726.db2.gz XWKBWLOPSBLKNM-UMVBOHGHSA-N -1 0 344.484 3.622 20 0 EHADRM CCc1c([N-]S(=O)(=O)c2sccc2C)cnn1-c1ccccc1 ZINC000341564449 1022335221 /nfs/dbraw/zinc/33/52/21/1022335221.db2.gz LVZARDHIJROFOL-UHFFFAOYSA-N -1 0 347.465 3.605 20 0 EHADRM CC[C@H]1CCC[C@@H](NC(=O)N=c2[n-]nc(-c3ccsc3)s2)C1 ZINC000607201574 1033053820 /nfs/dbraw/zinc/05/38/20/1033053820.db2.gz PWKQISMEBMRDBX-CMPLNLGQSA-N -1 0 336.486 3.779 20 0 EHADRM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)c(Cl)s2)c1 ZINC000188449471 1022431699 /nfs/dbraw/zinc/43/16/99/1022431699.db2.gz IDSWHIUMOJWWEY-UHFFFAOYSA-N -1 0 329.830 3.713 20 0 EHADRM CCCCSCCC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000262041850 1022499772 /nfs/dbraw/zinc/49/97/72/1022499772.db2.gz DCCOYYWOVUKEPO-AWEZNQCLSA-N -1 0 343.876 3.895 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccsc2)s1)c1ccc2c(c1)CCC=C2 ZINC000430699813 1022505232 /nfs/dbraw/zinc/50/52/32/1022505232.db2.gz ZICFIAOLEATAPS-UHFFFAOYSA-N -1 0 339.445 3.900 20 0 EHADRM Cc1cc(C(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)ccc1F ZINC000517649497 1022536035 /nfs/dbraw/zinc/53/60/35/1022536035.db2.gz QOFKYPAUMKPKGP-UHFFFAOYSA-N -1 0 347.802 3.980 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(Cl)s2)cc1C ZINC000048505552 1022548133 /nfs/dbraw/zinc/54/81/33/1022548133.db2.gz CFNKGYUCHKTJBH-UHFFFAOYSA-N -1 0 329.830 3.712 20 0 EHADRM COC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000330846698 1022695289 /nfs/dbraw/zinc/69/52/89/1022695289.db2.gz CFJDRECIQPQRMV-RKDXNWHRSA-N -1 0 346.210 3.617 20 0 EHADRM CCC1(C)CCN(C(=O)N=c2[n-]nc(-c3ccccc3)s2)CC1 ZINC000510585579 1022711548 /nfs/dbraw/zinc/71/15/48/1022711548.db2.gz WMJSLTRJANNGAA-UHFFFAOYSA-N -1 0 330.457 3.671 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)NCCC2=CCCC2)s[n-]1 ZINC000473836972 1022919224 /nfs/dbraw/zinc/91/92/24/1022919224.db2.gz PBSNSTBYOIYHQR-UHFFFAOYSA-N -1 0 334.470 3.619 20 0 EHADRM Cc1c2cccc(Cl)c2oc1C(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC000579363366 1022922365 /nfs/dbraw/zinc/92/23/65/1022922365.db2.gz PIAWKPMCYQCGJW-NSHDSACASA-N -1 0 335.787 3.625 20 0 EHADRM CCCc1nc(=NC(=O)N2C[C@H](C)CC[C@@H]2c2ccccc2)s[n-]1 ZINC000518011972 1022929114 /nfs/dbraw/zinc/92/91/14/1022929114.db2.gz UAPPIXCQOCERJQ-UKRRQHHQSA-N -1 0 344.484 3.918 20 0 EHADRM O=C([O-])c1csc(CNCc2cccc(Oc3ccccc3)c2)n1 ZINC000426675291 1022965191 /nfs/dbraw/zinc/96/51/91/1022965191.db2.gz QUCGLPRMHSPTCG-UHFFFAOYSA-N -1 0 340.404 3.923 20 0 EHADRM Cc1cc(Cl)cc([N-]S(=O)(=O)c2cccc(F)c2C)c1O ZINC000438768354 1022982856 /nfs/dbraw/zinc/98/28/56/1022982856.db2.gz DNZRQXQCHNBLFK-UHFFFAOYSA-N -1 0 329.780 3.602 20 0 EHADRM O=S(=O)([N-]c1ccccc1-c1cn[nH]c1)c1ccccc1Cl ZINC000438818232 1023017234 /nfs/dbraw/zinc/01/72/34/1023017234.db2.gz JTAUJRYQGBFBOL-UHFFFAOYSA-N -1 0 333.800 3.531 20 0 EHADRM COc1ccccc1CN[C@H](C(=O)[O-])c1c(Cl)cccc1Cl ZINC000426759171 1023029767 /nfs/dbraw/zinc/02/97/67/1023029767.db2.gz VUNOGHNNHGKUOY-HNNXBMFYSA-N -1 0 340.206 3.918 20 0 EHADRM Cc1ccc([C@@H]2OCCC[C@@H]2N=c2[n-]nc(C(F)(F)F)s2)cc1 ZINC000509543761 1023035646 /nfs/dbraw/zinc/03/56/46/1023035646.db2.gz UQJGEIGOJLWHQM-RYUDHWBXSA-N -1 0 343.374 3.619 20 0 EHADRM CC[C@@H](Cc1ccc(Cl)cc1)N=c1nc([C@H](C)OC)[n-]s1 ZINC000509546390 1023038691 /nfs/dbraw/zinc/03/86/91/1023038691.db2.gz VQFMHHOZWSHICR-GWCFXTLKSA-N -1 0 325.865 3.754 20 0 EHADRM Cc1sc(C(=O)NC2(CC(=O)[O-])CCC2)cc1-c1ccc(F)cc1 ZINC000262062241 1023054052 /nfs/dbraw/zinc/05/40/52/1023054052.db2.gz BSRGEYRMKXZFFV-UHFFFAOYSA-N -1 0 347.411 3.990 20 0 EHADRM CCCCOc1cc(CN[C@H](C(=O)[O-])c2cccs2)ccc1OC ZINC000426822086 1023067668 /nfs/dbraw/zinc/06/76/68/1023067668.db2.gz ZQICZEGKUDPRIV-KRWDZBQOSA-N -1 0 349.452 3.851 20 0 EHADRM CCc1ccc([C@@H](NCc2cnc(CC(C)C)s2)C(=O)[O-])cc1 ZINC000426825517 1023070479 /nfs/dbraw/zinc/07/04/79/1023070479.db2.gz MHNFVWZZLGFNOI-QGZVFWFLSA-N -1 0 332.469 3.820 20 0 EHADRM CC(C)COc1cccc([N-]S(=O)(=O)c2cncc(Cl)c2)c1 ZINC000507007740 1023073855 /nfs/dbraw/zinc/07/38/55/1023073855.db2.gz OPEQFIBZCBVIFG-UHFFFAOYSA-N -1 0 340.832 3.571 20 0 EHADRM CC[C@H](CN=c1nc([C@@H](C)OC)[n-]s1)Oc1cccc(Cl)c1 ZINC000509585683 1023092011 /nfs/dbraw/zinc/09/20/11/1023092011.db2.gz KMXIOIDZWURDBH-ZYHUDNBSSA-N -1 0 341.864 3.590 20 0 EHADRM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2cccc(F)c2F)cc1 ZINC000509588065 1023092840 /nfs/dbraw/zinc/09/28/40/1023092840.db2.gz UMWIHXTWUBYSEM-NSHDSACASA-N -1 0 341.379 3.943 20 0 EHADRM O=C(Nc1ncc(-c2ccccc2)s1)c1cc(=O)c2ccccc2[n-]1 ZINC000507099100 1023129450 /nfs/dbraw/zinc/12/94/50/1023129450.db2.gz YYDLYVWBNZZVHI-UHFFFAOYSA-N -1 0 347.399 3.904 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)n1 ZINC000438989103 1023194903 /nfs/dbraw/zinc/19/49/03/1023194903.db2.gz DXMZOTCVZVIXSQ-ZBFHGGJFSA-N -1 0 341.455 3.791 20 0 EHADRM O=C([O-])[C@H]1CC[C@H]1C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000507283273 1023230278 /nfs/dbraw/zinc/23/02/78/1023230278.db2.gz UNEKSZMEJHJMPN-KGLIPLIRSA-N -1 0 346.770 3.577 20 0 EHADRM Cc1ccc(Cc2n[n-]c(=NC(=O)N[C@H]3CC[C@H](C)CC3)s2)cc1 ZINC000439058628 1023236106 /nfs/dbraw/zinc/23/61/06/1023236106.db2.gz MAIOZCCBDLNHBG-CTYIDZIISA-N -1 0 344.484 3.559 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)[C@@H]3CC[C@H](C)C3)n2)c1 ZINC000507300889 1023242234 /nfs/dbraw/zinc/24/22/34/1023242234.db2.gz QPTQPEDQHGSECY-GOEBONIOSA-N -1 0 341.455 3.962 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000518380254 1023267801 /nfs/dbraw/zinc/26/78/01/1023267801.db2.gz XHPAJBVXQGRXDE-DNDYEEKYSA-N -1 0 347.430 3.941 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2c[nH]nc2-c2ccccc2)cc1 ZINC000341775377 1023296367 /nfs/dbraw/zinc/29/63/67/1023296367.db2.gz JUUYZDCPOXKGOJ-UHFFFAOYSA-N -1 0 345.449 3.599 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2-c2nnc(C)o2)s1 ZINC000431143172 1023328387 /nfs/dbraw/zinc/32/83/87/1023328387.db2.gz IQEMJCCKKZNGIA-UHFFFAOYSA-N -1 0 349.437 3.524 20 0 EHADRM CCCc1csc(NC(=O)c2ccc(Br)c([O-])c2)n1 ZINC000092262787 1023366391 /nfs/dbraw/zinc/36/63/91/1023366391.db2.gz IQBXJORFBQWMCG-UHFFFAOYSA-N -1 0 341.230 3.816 20 0 EHADRM COc1ccc(S(=O)(=O)Nc2ccc(C(C)=O)c(C)c2)c(C)c1C ZINC000134774567 1033127451 /nfs/dbraw/zinc/12/74/51/1033127451.db2.gz HEEDFZBVNCBWEK-UHFFFAOYSA-N -1 0 347.436 3.624 20 0 EHADRM CCCSc1nc(=NC(=O)Nc2cccc3ccn(C)c32)s[n-]1 ZINC000471945278 1023380590 /nfs/dbraw/zinc/38/05/90/1023380590.db2.gz WEPYLWUIQCPWGD-UHFFFAOYSA-N -1 0 347.469 3.598 20 0 EHADRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1sc(C)cc1C ZINC000431181939 1023407038 /nfs/dbraw/zinc/40/70/38/1023407038.db2.gz TXGHGOOPRUPVGP-UHFFFAOYSA-N -1 0 331.846 3.828 20 0 EHADRM O=C([O-])CC1(CC(=O)NC[C@@H](c2ccccc2)C2CC2)CCCC1 ZINC000431181729 1023408485 /nfs/dbraw/zinc/40/84/85/1023408485.db2.gz SUHIRBVWDCRDQQ-KRWDZBQOSA-N -1 0 329.440 3.722 20 0 EHADRM COc1c(O)cccc1/C=C(/CC(=O)[O-])c1nc2ccccc2o1 ZINC000341873484 1023503809 /nfs/dbraw/zinc/50/38/09/1023503809.db2.gz ZJWGEJNBSYWREM-XFXZXTDPSA-N -1 0 325.320 3.557 20 0 EHADRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(SC)cc1 ZINC000220126850 1033139554 /nfs/dbraw/zinc/13/95/54/1033139554.db2.gz XDFUJTZVIPXBMM-UHFFFAOYSA-N -1 0 343.857 3.871 20 0 EHADRM COc1cc(C(=O)NC2CCC(C(F)F)CC2)cc(Cl)c1O ZINC000458133702 1023596133 /nfs/dbraw/zinc/59/61/33/1023596133.db2.gz ALEULIKYAAVWBA-UHFFFAOYSA-N -1 0 333.762 3.608 20 0 EHADRM Cc1cc(=NC(=O)C[C@@H](C)c2ccccc2C(F)(F)F)[n-]nc1C ZINC000607502114 1033148619 /nfs/dbraw/zinc/14/86/19/1033148619.db2.gz GJBWYVCGIBNGEP-LLVKDONJSA-N -1 0 337.345 3.666 20 0 EHADRM Cc1cc(=NC(=O)C[C@H](C)c2ccccc2C(F)(F)F)[n-]nc1C ZINC000607502117 1033149197 /nfs/dbraw/zinc/14/91/97/1033149197.db2.gz GJBWYVCGIBNGEP-NSHDSACASA-N -1 0 337.345 3.666 20 0 EHADRM CCC1(c2ccccc2)CN(C(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000458217268 1023641120 /nfs/dbraw/zinc/64/11/20/1023641120.db2.gz OHECCYDDJAHPJA-UHFFFAOYSA-N -1 0 335.325 3.613 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)c1 ZINC000528972709 1033158605 /nfs/dbraw/zinc/15/86/05/1033158605.db2.gz FJKKOFCOJSEMMP-CVEARBPZSA-N -1 0 327.355 3.866 20 0 EHADRM CSc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000471989657 1023926189 /nfs/dbraw/zinc/92/61/89/1023926189.db2.gz AVUDYQFFQDZFOF-UHFFFAOYSA-N -1 0 325.430 3.965 20 0 EHADRM COc1c(O)cccc1/C=C/c1nc2ccc(C(=O)[O-])cc2s1 ZINC000431558262 1033174112 /nfs/dbraw/zinc/17/41/12/1033174112.db2.gz RNHOFNDJNAOGEG-SOFGYWHQSA-N -1 0 327.361 3.879 20 0 EHADRM CCC(C)(C)[C@@H]1CCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000181247459 1024002339 /nfs/dbraw/zinc/00/23/39/1024002339.db2.gz RYPRXDDSHISUDK-INIZCTEOSA-N -1 0 345.418 3.758 20 0 EHADRM C[C@@H](CC(=O)[O-])n1cc(-c2cc(F)ccc2OCC(F)(F)F)cn1 ZINC000657205546 1024112247 /nfs/dbraw/zinc/11/22/47/1024112247.db2.gz DMMKFPJKYWPJHD-VIFPVBQESA-N -1 0 346.280 3.666 20 0 EHADRM Cc1ccc(C)c(-c2cccc(S(=O)(=O)CCCC(=O)[O-])c2)c1 ZINC000657205363 1024112276 /nfs/dbraw/zinc/11/22/76/1024112276.db2.gz SEYKEEAITVSHJC-UHFFFAOYSA-N -1 0 332.421 3.609 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)NCc1ccc(F)cc1F)C1CCCCC1 ZINC000522623540 1024124667 /nfs/dbraw/zinc/12/46/67/1024124667.db2.gz WAIAZDFTEGVCAO-GOSISDBHSA-N -1 0 339.382 3.642 20 0 EHADRM Cc1ccc(C2(C(=O)[O-])CCCCC2)c(-c2cnc3ccnn3c2)c1 ZINC000657206222 1024128385 /nfs/dbraw/zinc/12/83/85/1024128385.db2.gz BZENXTSNWQZUOX-UHFFFAOYSA-N -1 0 335.407 3.991 20 0 EHADRM CC[C@@H](C)[C@H]([N-]S(=O)(=O)Cc1ccc(C)c(F)c1)C(F)(F)F ZINC000443936590 1024135151 /nfs/dbraw/zinc/13/51/51/1024135151.db2.gz RFUMGBOHFZNSNR-RNCFNFMXSA-N -1 0 341.370 3.531 20 0 EHADRM CSc1ccccc1NC(=O)[C@@](C)(CC(=O)[O-])c1ccsc1 ZINC000634815782 1024144633 /nfs/dbraw/zinc/14/46/33/1024144633.db2.gz JFWHBHKXZIWWGJ-INIZCTEOSA-N -1 0 335.450 3.841 20 0 EHADRM CCCCS(=O)(=O)[N-][C@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000443963569 1024216974 /nfs/dbraw/zinc/21/69/74/1024216974.db2.gz KRJFWUKYCBSVDM-LLVKDONJSA-N -1 0 347.761 3.802 20 0 EHADRM CCCOc1cccc([N-]S(=O)(=O)c2c(C)cc(C)cc2OC)c1 ZINC000434625219 1024225443 /nfs/dbraw/zinc/22/54/43/1024225443.db2.gz CRROWSASRLCGLP-UHFFFAOYSA-N -1 0 349.452 3.902 20 0 EHADRM CCC[C@H](C)CS(=O)(=O)Nc1c(C)ccc(Cl)c1C(=O)[O-] ZINC000548529524 1024283482 /nfs/dbraw/zinc/28/34/82/1024283482.db2.gz GADKAZZUTBCORV-VIFPVBQESA-N -1 0 333.837 3.525 20 0 EHADRM CCSc1cccc([N-]S(=O)(=O)c2cncc(Cl)c2)c1 ZINC000350298903 1024288471 /nfs/dbraw/zinc/28/84/71/1024288471.db2.gz GDOYYKSHJANZHP-UHFFFAOYSA-N -1 0 328.846 3.648 20 0 EHADRM Cc1cc(Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc(C(=O)[O-])c1 ZINC001211535183 1024316385 /nfs/dbraw/zinc/31/63/85/1024316385.db2.gz RYSDLEBVSGHPDS-VIFPVBQESA-N -1 0 344.436 3.722 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000324000319 1024374701 /nfs/dbraw/zinc/37/47/01/1024374701.db2.gz FQJIFZSNJQYUFJ-UHFFFAOYSA-N -1 0 327.311 3.760 20 0 EHADRM C[C@@H](C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1)c1ccccc1F ZINC000191544793 1024412028 /nfs/dbraw/zinc/41/20/28/1024412028.db2.gz UCVPQIRHSZRWLI-ZBFHGGJFSA-N -1 0 343.398 3.522 20 0 EHADRM CCOc1ccc(CN=c2[n-]nc(CCCc3cccs3)o2)cc1 ZINC000346124359 1024425290 /nfs/dbraw/zinc/42/52/90/1024425290.db2.gz WZBJLCWEGQIROP-UHFFFAOYSA-N -1 0 343.452 3.739 20 0 EHADRM C[C@H](CNC(=O)c1cccc(Cl)c1[O-])Oc1ccccc1Cl ZINC001126516929 1024428609 /nfs/dbraw/zinc/42/86/09/1024428609.db2.gz LNNNJUXOUXPUSF-SNVBAGLBSA-N -1 0 340.206 3.896 20 0 EHADRM O=C(Cc1ccc2ccccc2c1)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000057752327 1024479581 /nfs/dbraw/zinc/47/95/81/1024479581.db2.gz OKXXMOQIKXTJPD-UHFFFAOYSA-N -1 0 345.358 3.777 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)NCc1ccc(C(=O)[O-])s1 ZINC000425240425 1024499480 /nfs/dbraw/zinc/49/94/80/1024499480.db2.gz AAPDPDXBCIMTMX-CYBMUJFWSA-N -1 0 331.437 3.640 20 0 EHADRM CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(CCC(C)C)cc2)c1C ZINC000607614223 1033217211 /nfs/dbraw/zinc/21/72/11/1033217211.db2.gz HCXAKHPGBPHMOK-UHFFFAOYSA-N -1 0 349.500 3.909 20 0 EHADRM c1ccc([C@H]2C[C@H](N=c3nc(C4CCCCC4)[n-]s3)CCO2)nc1 ZINC000514595350 1024594359 /nfs/dbraw/zinc/59/43/59/1024594359.db2.gz PPTQWZGRQOVRQO-GDBMZVCRSA-N -1 0 344.484 3.735 20 0 EHADRM Cc1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435139291 1024647555 /nfs/dbraw/zinc/64/75/55/1024647555.db2.gz WMTKSZSAZUMJIY-UHFFFAOYSA-N -1 0 344.205 3.697 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)CCc2ccccc2C(=O)[O-])c1 ZINC000262141166 1024654129 /nfs/dbraw/zinc/65/41/29/1024654129.db2.gz IQBNNMHOABVEPG-LJQANCHMSA-N -1 0 337.419 3.990 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])[C@H]1COc2ccccc2C1 ZINC000317823200 1024680743 /nfs/dbraw/zinc/68/07/43/1024680743.db2.gz OMDAYAUVSNWIRC-SNVBAGLBSA-N -1 0 338.190 3.889 20 0 EHADRM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000346363808 1024682305 /nfs/dbraw/zinc/68/23/05/1024682305.db2.gz YGQCNGQQWQUXGS-INIZCTEOSA-N -1 0 345.782 3.822 20 0 EHADRM C[C@H]1CCC[C@@H](CC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)C1 ZINC000427702807 1024743536 /nfs/dbraw/zinc/74/35/36/1024743536.db2.gz VSXBUPLYTGTZGT-CIRFHOKZSA-N -1 0 329.440 3.530 20 0 EHADRM O=C([O-])CN(CCc1ccccc1)C(=O)c1cccc2ccccc21 ZINC000427725922 1024757233 /nfs/dbraw/zinc/75/72/33/1024757233.db2.gz JMBLXQQGOBGFSP-UHFFFAOYSA-N -1 0 333.387 3.609 20 0 EHADRM Cc1cc(Nc2ncc(F)cc2Br)cc(C(=O)[O-])c1 ZINC001211537393 1024899413 /nfs/dbraw/zinc/89/94/13/1024899413.db2.gz HYTRHISBCAHORR-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCN(C2CC2)c2ccccc21 ZINC000192589937 1024943073 /nfs/dbraw/zinc/94/30/73/1024943073.db2.gz WXDMBPYBTALMSE-UHFFFAOYSA-N -1 0 346.789 3.814 20 0 EHADRM CN(CCC(=O)[O-])C(=O)c1cc2c(s1)-c1ccccc1C(C)(C)C2 ZINC000428039831 1024943948 /nfs/dbraw/zinc/94/39/48/1024943948.db2.gz GOBCVJWLXOBFNH-UHFFFAOYSA-N -1 0 343.448 3.796 20 0 EHADRM CCCc1cc([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)[nH]n1 ZINC000474426760 1024946404 /nfs/dbraw/zinc/94/64/04/1024946404.db2.gz LMQFXXHLOFTGNH-UHFFFAOYSA-N -1 0 349.843 3.970 20 0 EHADRM CCOc1cc2c(cc1NC(=O)c1cccc(F)c1[O-])O[C@H](C)C2 ZINC001125578033 1024969129 /nfs/dbraw/zinc/96/91/29/1024969129.db2.gz KBQHAOAEPNRAKN-SNVBAGLBSA-N -1 0 331.343 3.506 20 0 EHADRM COc1cc(C)cc(NC(=O)c2cc(F)c(F)c([O-])c2F)c1C ZINC000428074112 1024973985 /nfs/dbraw/zinc/97/39/85/1024973985.db2.gz DLJJSIHINJNZFY-UHFFFAOYSA-N -1 0 325.286 3.687 20 0 EHADRM Cc1cc(C(=O)NCCCCCCCC(=O)[O-])c(C(F)(F)F)o1 ZINC000909468083 1024978435 /nfs/dbraw/zinc/97/84/35/1024978435.db2.gz ULMRAGBSVFPDJX-UHFFFAOYSA-N -1 0 335.322 3.762 20 0 EHADRM Cc1nn(C(C)C)cc1/C=C(\CC(=O)[O-])c1nc2ccccc2o1 ZINC000346680512 1025015153 /nfs/dbraw/zinc/01/51/53/1025015153.db2.gz XOWFBPAYYXYEHG-MDWZMJQESA-N -1 0 325.368 3.929 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)N(CC(=O)[O-])C1CCCC1 ZINC000684726012 1025063842 /nfs/dbraw/zinc/06/38/42/1025063842.db2.gz IZEHSRMBTSBDGL-HNNXBMFYSA-N -1 0 346.471 3.782 20 0 EHADRM CC(C)Oc1ccc([C@@H](C)NC(=O)N2CCCCC[C@H]2C(=O)[O-])cc1 ZINC000684727647 1025070704 /nfs/dbraw/zinc/07/07/04/1025070704.db2.gz YQCPQGAZKNLTKD-PBHICJAKSA-N -1 0 348.443 3.574 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N(C)[C@@H]2CCCc3ccccc32)s1 ZINC000515227353 1025094782 /nfs/dbraw/zinc/09/47/82/1025094782.db2.gz GYFFVYUPYZVQRS-CYBMUJFWSA-N -1 0 348.497 3.613 20 0 EHADRM C[C@@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1nc(C(C)(C)C)cs1 ZINC000435724703 1025107436 /nfs/dbraw/zinc/10/74/36/1025107436.db2.gz VCIKICSOSHDPFJ-IJLUTSLNSA-N -1 0 338.473 3.509 20 0 EHADRM O=C([O-])C1CCC(CC(=O)Nc2ccc(OC3CCC3)c(F)c2)CC1 ZINC000521048997 1025183327 /nfs/dbraw/zinc/18/33/27/1025183327.db2.gz IBUBQTFIGBYQEQ-UHFFFAOYSA-N -1 0 349.402 3.977 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)c(C)c1 ZINC000521059716 1025191394 /nfs/dbraw/zinc/19/13/94/1025191394.db2.gz HCGPXYZDEWNRAO-UHFFFAOYSA-N -1 0 347.465 3.864 20 0 EHADRM CCCCCc1n[n-]c(=NCc2c[nH]nc2-c2ccsc2)s1 ZINC000436015272 1025315863 /nfs/dbraw/zinc/31/58/63/1025315863.db2.gz MZIPXLMGEOTSAF-UHFFFAOYSA-N -1 0 333.486 3.756 20 0 EHADRM CC(C)(C(=O)N=c1ccc(-c2ccc(Cl)s2)n[n-]1)C(F)F ZINC000622929143 1025322165 /nfs/dbraw/zinc/32/21/65/1025322165.db2.gz FJJGGZSHBSXLGF-UHFFFAOYSA-N -1 0 331.775 3.510 20 0 EHADRM O=S(=O)([N-][C@@H]1CCC(F)(F)C1)c1c(Cl)cc(F)cc1Cl ZINC000684762587 1025361055 /nfs/dbraw/zinc/36/10/55/1025361055.db2.gz JODSHBPVAUKDRR-SSDOTTSWSA-N -1 0 348.173 3.599 20 0 EHADRM Cc1sc2c(cccc2C)c1S(=O)(=O)[N-]c1nnc(C2CC2)o1 ZINC000521421177 1025370990 /nfs/dbraw/zinc/37/09/90/1025370990.db2.gz CTIBCYPNJHASNO-UHFFFAOYSA-N -1 0 349.437 3.579 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2cccnc2OC(C)C)cc1 ZINC000515628549 1025421900 /nfs/dbraw/zinc/42/19/00/1025421900.db2.gz HAUGHTODZVITAD-UHFFFAOYSA-N -1 0 334.441 3.622 20 0 EHADRM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1cnc2ccsc2c1 ZINC000436179370 1025449189 /nfs/dbraw/zinc/44/91/89/1025449189.db2.gz WVIUUVGIRXGWPJ-UHFFFAOYSA-N -1 0 343.433 3.887 20 0 EHADRM CO[C@H](C)c1nc(=NC(=O)C[C@H](C)c2ccc(C(C)C)cc2)s[n-]1 ZINC000511084696 1025450169 /nfs/dbraw/zinc/45/01/69/1025450169.db2.gz GFJHFQFVZIEXOV-QWHCGFSZSA-N -1 0 347.484 3.923 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3ccoc3c2)c1 ZINC000442847711 1025518587 /nfs/dbraw/zinc/51/85/87/1025518587.db2.gz LSJCZSYZBVJJNU-UHFFFAOYSA-N -1 0 337.784 3.896 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)CC2(C(=O)[O-])CCCC2)c2ccccc21 ZINC000347112349 1025519692 /nfs/dbraw/zinc/51/96/92/1025519692.db2.gz ZIIDIBPMIIGFLJ-MRXNPFEDSA-N -1 0 329.440 3.950 20 0 EHADRM CCCCc1nnc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)s1 ZINC000342444391 1025529947 /nfs/dbraw/zinc/52/99/47/1025529947.db2.gz ISIBMTARLNANAW-UHFFFAOYSA-N -1 0 347.412 3.619 20 0 EHADRM Cc1cc(CN=c2nc(C3CCCC3)[n-]s2)cc(N2CCCC2)n1 ZINC000582174562 1025531183 /nfs/dbraw/zinc/53/11/83/1025531183.db2.gz GGYMNVDBEBRIAK-UHFFFAOYSA-N -1 0 343.500 3.533 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])cc1 ZINC000391973899 1025536921 /nfs/dbraw/zinc/53/69/21/1025536921.db2.gz ZXXRASXTCIKDGB-NSHDSACASA-N -1 0 332.322 3.511 20 0 EHADRM CCCOCc1ccccc1CN=c1nc(C(F)(F)F)[n-]s1 ZINC000347117024 1025559590 /nfs/dbraw/zinc/55/95/90/1025559590.db2.gz XHCAFUMSSSHDMZ-UHFFFAOYSA-N -1 0 331.363 3.518 20 0 EHADRM Cc1cncc(CSc2n[n-]c(=Nc3ccccc3F)s2)c1 ZINC000442915776 1025581501 /nfs/dbraw/zinc/58/15/01/1025581501.db2.gz YKWKFKNDVHEDRZ-UHFFFAOYSA-N -1 0 332.429 3.838 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)[N-]OCc1ccccn1 ZINC000909534463 1025610045 /nfs/dbraw/zinc/61/00/45/1025610045.db2.gz RLISBKZKBFCHPO-QGZVFWFLSA-N -1 0 328.412 3.610 20 0 EHADRM CC[C@@H](NC(=O)NC[C@H](C(=O)[O-])C1CCC1)c1cccc(Cl)c1 ZINC000665301600 1025635030 /nfs/dbraw/zinc/63/50/30/1025635030.db2.gz BIQBJBDYBYTGJY-LSDHHAIUSA-N -1 0 338.835 3.591 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)CC[C@H](C)c2ccccc2)c1 ZINC000161194848 1025663188 /nfs/dbraw/zinc/66/31/88/1025663188.db2.gz FOMXWSKWWVXWIR-AWEZNQCLSA-N -1 0 349.427 3.523 20 0 EHADRM C[C@H]1CC2(CCC2)CN1C(=O)c1cc(Br)c(F)cc1[O-] ZINC000451193838 1025664850 /nfs/dbraw/zinc/66/48/50/1025664850.db2.gz JXEUGVXAKYASSV-VIFPVBQESA-N -1 0 342.208 3.699 20 0 EHADRM CC(C)(C)CS(=O)(=O)[N-][C@H](c1c(F)cccc1F)C(F)(F)F ZINC000443042300 1025673631 /nfs/dbraw/zinc/67/36/31/1025673631.db2.gz XUBJRAKSPAALBB-LLVKDONJSA-N -1 0 345.333 3.534 20 0 EHADRM O=C(Nc1cc(Br)cc(Cl)c1[O-])c1cncs1 ZINC000342469473 1025698812 /nfs/dbraw/zinc/69/88/12/1025698812.db2.gz FKBIFDBJRAAJKR-UHFFFAOYSA-N -1 0 333.594 3.517 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1cn2ccnc2s1 ZINC000443124638 1025739612 /nfs/dbraw/zinc/73/96/12/1025739612.db2.gz CCIOHDRWOIAQIW-UHFFFAOYSA-N -1 0 328.180 3.661 20 0 EHADRM CCCC[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000347255827 1025762050 /nfs/dbraw/zinc/76/20/50/1025762050.db2.gz DTGHATNXEISIAL-GYSYKLTISA-N -1 0 344.238 3.857 20 0 EHADRM CCCC[C@H](NC(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000347263064 1025762299 /nfs/dbraw/zinc/76/22/99/1025762299.db2.gz PQKVUQWJDGBDBI-KBPBESRZSA-N -1 0 345.361 3.959 20 0 EHADRM Cc1cccc(N(C)S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])c1 ZINC000436478928 1025773458 /nfs/dbraw/zinc/77/34/58/1025773458.db2.gz SJEGMLFHKBBSNF-UHFFFAOYSA-N -1 0 345.342 3.545 20 0 EHADRM C[C@@H](NC(=O)NC[C@@H](C(=O)[O-])C1CCC1)c1cc2ccccc2s1 ZINC000665310179 1025820382 /nfs/dbraw/zinc/82/03/82/1025820382.db2.gz KIZNBDYHRPLZGJ-BXUZGUMPSA-N -1 0 346.452 3.762 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000436529096 1025835380 /nfs/dbraw/zinc/83/53/80/1025835380.db2.gz JRJYXQSBYSLWIG-UHFFFAOYSA-N -1 0 349.352 3.904 20 0 EHADRM Cc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)c1Cl ZINC000191105565 1025848730 /nfs/dbraw/zinc/84/87/30/1025848730.db2.gz AXELBGCBLDAALT-HNNXBMFYSA-N -1 0 331.799 3.903 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCO[C@H]2CCC[C@@H]21 ZINC000436549230 1025855570 /nfs/dbraw/zinc/85/55/70/1025855570.db2.gz VKSCBQZGWJEYDR-HOTGVXAUSA-N -1 0 331.799 3.592 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC000522003767 1025875880 /nfs/dbraw/zinc/87/58/80/1025875880.db2.gz LXNOAKWMHWCHHV-MQBCKMQZSA-N -1 0 333.403 3.770 20 0 EHADRM COCC[C@H](NC(=O)c1ccc(C(F)(F)F)cc1O)c1ccco1 ZINC000436595460 1025913737 /nfs/dbraw/zinc/91/37/37/1025913737.db2.gz LRIVOCQFAMFWLI-LBPRGKRZSA-N -1 0 343.301 3.512 20 0 EHADRM FC(F)(F)Cc1n[n-]c(=NCc2ccc(Cl)cc2Cl)s1 ZINC000475058592 1025924468 /nfs/dbraw/zinc/92/44/68/1025924468.db2.gz ZRCCJSHEZRUWSI-UHFFFAOYSA-N -1 0 342.173 3.984 20 0 EHADRM O=C(Nc1ccccc1OCC(F)F)c1ccc(Cl)cc1[O-] ZINC000436589498 1025929496 /nfs/dbraw/zinc/92/94/96/1025929496.db2.gz WDFDGANLBBBRRZ-UHFFFAOYSA-N -1 0 327.714 3.942 20 0 EHADRM Cc1cc(CN(C)C(=O)c2cc(F)c([O-])c(Cl)c2)ccc1F ZINC000436626713 1025953312 /nfs/dbraw/zinc/95/33/12/1025953312.db2.gz QMFLVBOBCVLOFP-UHFFFAOYSA-N -1 0 325.742 3.904 20 0 EHADRM O=C(C(=O)N1C[C@@H](c2ccccc2)c2ccccc21)c1ccc(O)cc1 ZINC000436628282 1025957153 /nfs/dbraw/zinc/95/71/53/1025957153.db2.gz YEOWZWLOCGPZII-IBGZPJMESA-N -1 0 343.382 3.754 20 0 EHADRM COc1ccc([C@@H](NC(=O)c2cc(F)ccc2O)C(F)(F)F)cc1 ZINC000436628252 1025958437 /nfs/dbraw/zinc/95/84/37/1025958437.db2.gz PGEWYVSQSLHHNB-CQSZACIVSA-N -1 0 343.276 3.573 20 0 EHADRM Cc1cnc([N-]S(=O)(=O)c2c(C)sc3ccc(Cl)cc32)o1 ZINC000443372452 1025961877 /nfs/dbraw/zinc/96/18/77/1025961877.db2.gz MFVSJFKRQFGFJO-UHFFFAOYSA-N -1 0 342.829 3.960 20 0 EHADRM CC(C)(C)c1ccc(OCCNC(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000436633793 1025962810 /nfs/dbraw/zinc/96/28/10/1025962810.db2.gz CGLBXSVVMVZBEE-UHFFFAOYSA-N -1 0 349.377 3.777 20 0 EHADRM Cc1csc(NC(=O)c2cc(Cl)cc(Br)c2[O-])n1 ZINC000436634278 1025964491 /nfs/dbraw/zinc/96/44/91/1025964491.db2.gz FXKJLFKEVPSOSA-UHFFFAOYSA-N -1 0 347.621 3.825 20 0 EHADRM Cc1nc(C(C)(C)NC(=O)c2cc(F)cc(Cl)c2[O-])sc1C ZINC000436636153 1025967644 /nfs/dbraw/zinc/96/76/44/1025967644.db2.gz XRXTXYYUCLCFBP-UHFFFAOYSA-N -1 0 342.823 3.923 20 0 EHADRM C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436621439 1025972229 /nfs/dbraw/zinc/97/22/29/1025972229.db2.gz DITNXGFAKJEYHU-GMSGAONNSA-N -1 0 339.716 3.988 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CCCc2ccc(O)c(F)c2)c1 ZINC000436649868 1025974737 /nfs/dbraw/zinc/97/47/37/1025974737.db2.gz XMALOYRKLPTWMP-UHFFFAOYSA-N -1 0 345.370 3.791 20 0 EHADRM Cc1cc(Nc2ccccc2C(=O)NC(C)(C)C)cc(C(=O)[O-])c1 ZINC001211542816 1025975346 /nfs/dbraw/zinc/97/53/46/1025975346.db2.gz QWFJRIHCHAOZRP-UHFFFAOYSA-N -1 0 326.396 3.965 20 0 EHADRM CCC1(C)CN(C(=O)c2cc(Cl)cc(Br)c2[O-])C1 ZINC000436656202 1025985922 /nfs/dbraw/zinc/98/59/22/1025985922.db2.gz PKJRMUQZIOUBQY-UHFFFAOYSA-N -1 0 332.625 3.680 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CSc2ccc(OC)cc2)c1 ZINC000436656579 1025987433 /nfs/dbraw/zinc/98/74/33/1025987433.db2.gz JHEAAWFBZGXJIE-UHFFFAOYSA-N -1 0 345.420 3.724 20 0 EHADRM O=C(Nc1c[nH]nc1-c1ccccc1F)c1cc(F)c([O-])c(Cl)c1 ZINC000436646229 1025996956 /nfs/dbraw/zinc/99/69/56/1025996956.db2.gz GUCNRRURGXTNAZ-UHFFFAOYSA-N -1 0 349.724 3.966 20 0 EHADRM Cc1nc([C@H](C)NC(=O)CCCCc2ccccc2)sc1C(=O)[O-] ZINC000909502558 1026008241 /nfs/dbraw/zinc/00/82/41/1026008241.db2.gz FXCYNHKAROSKGH-ZDUSSCGKSA-N -1 0 346.452 3.740 20 0 EHADRM COCc1cc(CN=c2[n-]nc(-c3ccccc3)s2)ccc1F ZINC000522980504 1026018508 /nfs/dbraw/zinc/01/85/08/1026018508.db2.gz JTMZNGBEGXZGDC-UHFFFAOYSA-N -1 0 329.400 3.525 20 0 EHADRM O=C([O-])[C@H](CNC(=O)N1CCCC[C@@H]1c1ccc(F)cc1)C1CCC1 ZINC000665324306 1026019603 /nfs/dbraw/zinc/01/96/03/1026019603.db2.gz PHOUWNAFXSIWPZ-IAGOWNOFSA-N -1 0 348.418 3.563 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H](C)Cc2ccccc2F)c1 ZINC000436661174 1026024134 /nfs/dbraw/zinc/02/41/34/1026024134.db2.gz XNNJESSZTNYCLH-GFCCVEGCSA-N -1 0 329.371 3.941 20 0 EHADRM C[C@H](NC(=O)c1c([O-])cc(Cl)cc1Cl)c1c(F)cncc1F ZINC000436717008 1026084475 /nfs/dbraw/zinc/08/44/75/1026084475.db2.gz VGFBMNFXMNERSR-LURJTMIESA-N -1 0 347.148 3.863 20 0 EHADRM C[C@@H](CN(C(=O)c1ccc([O-])c(Cl)c1)[C@@H](C)CO)c1ccccc1 ZINC000436737101 1026103040 /nfs/dbraw/zinc/10/30/40/1026103040.db2.gz KTPAZIWVCGYUQB-KBPBESRZSA-N -1 0 347.842 3.672 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1Cc2cccc(Cl)c2C1 ZINC000436742943 1026112249 /nfs/dbraw/zinc/11/22/49/1026112249.db2.gz GEYABYZFEMMTII-UHFFFAOYSA-N -1 0 326.154 3.994 20 0 EHADRM CCOc1cc(CN2CCn3nc(C4CC4)cc3C2)cc(Cl)c1O ZINC000896937959 1026113759 /nfs/dbraw/zinc/11/37/59/1026113759.db2.gz FVWCDYNEDMJUSH-UHFFFAOYSA-N -1 0 347.846 3.534 20 0 EHADRM O=C(Nc1cccc2[nH]c(=O)[nH]c21)c1c([O-])cc(Cl)cc1Cl ZINC000516200988 1026115535 /nfs/dbraw/zinc/11/55/35/1026115535.db2.gz OJPAAZSFXBCXIZ-UHFFFAOYSA-N -1 0 338.150 3.533 20 0 EHADRM CCc1ccc(C(=O)Nc2csc(-c3ccncc3)n2)c(O)c1 ZINC000436729963 1026118627 /nfs/dbraw/zinc/11/86/27/1026118627.db2.gz USVKRNYPEQELGH-UHFFFAOYSA-N -1 0 325.393 3.725 20 0 EHADRM Cc1ccc(OCC(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)cc1C ZINC000324722206 1026238062 /nfs/dbraw/zinc/23/80/62/1026238062.db2.gz GYKGBPAFNUVTQI-UHFFFAOYSA-N -1 0 327.380 3.636 20 0 EHADRM CC(C)N(Cc1ccccc1)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000122122927 1026247609 /nfs/dbraw/zinc/24/76/09/1026247609.db2.gz JSXVZXGXWQKFOH-UHFFFAOYSA-N -1 0 335.407 3.629 20 0 EHADRM CC[C@@H](NC(=O)CC1(C(=O)[O-])CCC1)c1ccccc1OC(F)F ZINC000262437760 1026249802 /nfs/dbraw/zinc/24/98/02/1026249802.db2.gz CJJYLJDPDNGRPH-GFCCVEGCSA-N -1 0 341.354 3.500 20 0 EHADRM Clc1ccccc1[C@H](CN=c1nc(C2CC2)[n-]s1)N1CCCC1 ZINC000530934123 1026417702 /nfs/dbraw/zinc/41/77/02/1026417702.db2.gz KINLFKBEAMAASH-HNNXBMFYSA-N -1 0 348.903 3.740 20 0 EHADRM CCOc1c(Cl)cc(NC(=O)CC(C)(C)C(=O)[O-])cc1Cl ZINC000342606136 1026443265 /nfs/dbraw/zinc/44/32/65/1026443265.db2.gz PJLRXQVGVYXTHC-UHFFFAOYSA-N -1 0 334.199 3.832 20 0 EHADRM COC(=O)CCCc1ccc(Nc2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001211547583 1026482907 /nfs/dbraw/zinc/48/29/07/1026482907.db2.gz UANPQCSKMZYWDF-UHFFFAOYSA-N -1 0 327.380 3.933 20 0 EHADRM COc1ccc(CNc2ccc(F)c(C(=O)[O-])c2)cc1OC(F)F ZINC000324922977 1026499676 /nfs/dbraw/zinc/49/96/76/1026499676.db2.gz ZWRZQLZKNNCRFY-UHFFFAOYSA-N -1 0 341.285 3.746 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCC(C)C)s1 ZINC000511150511 1026516368 /nfs/dbraw/zinc/51/63/68/1026516368.db2.gz PLUCLQDRYTXNFB-UHFFFAOYSA-N -1 0 325.455 3.892 20 0 EHADRM O=S(=O)(Cc1cccc(F)c1)[N-]c1noc2cc(Cl)ccc21 ZINC000342637975 1026535527 /nfs/dbraw/zinc/53/55/27/1026535527.db2.gz MVIXTSDHNOPORV-UHFFFAOYSA-N -1 0 340.763 3.562 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000325312961 1026624074 /nfs/dbraw/zinc/62/40/74/1026624074.db2.gz UEBHNUFHTBUBMY-MGPUTAFESA-N -1 0 325.408 3.605 20 0 EHADRM Cc1ncc(-c2ccc(NC(=O)CC3CCC(C(=O)[O-])CC3)cc2)o1 ZINC000582609715 1026739479 /nfs/dbraw/zinc/73/94/79/1026739479.db2.gz LMSMSVSXCITWEC-UHFFFAOYSA-N -1 0 342.395 3.870 20 0 EHADRM Cc1cc(C)cc(NC(=O)c2nn(-c3ccccc3F)cc2[O-])c1 ZINC000582624171 1026795827 /nfs/dbraw/zinc/79/58/27/1026795827.db2.gz BJBUCLUGIFBLEC-UHFFFAOYSA-N -1 0 325.343 3.586 20 0 EHADRM O=c1nc(-c2cncs2)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000531414321 1026889781 /nfs/dbraw/zinc/88/97/81/1026889781.db2.gz ROCNJTDGTCWOPG-UHFFFAOYSA-N -1 0 329.381 3.914 20 0 EHADRM Cc1cnc(OC(C)C)c(NC(=O)c2cc(F)c([O-])c(Cl)c2)c1 ZINC000452697984 1026936076 /nfs/dbraw/zinc/93/60/76/1026936076.db2.gz XRUVQSSMLQBUGJ-UHFFFAOYSA-N -1 0 338.766 3.928 20 0 EHADRM Cc1cccnc1CCCNC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000452785962 1027006798 /nfs/dbraw/zinc/00/67/98/1027006798.db2.gz TVFOLNASFCSYLT-UHFFFAOYSA-N -1 0 339.222 3.765 20 0 EHADRM CO[C@@H]1CCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C[C@H]1C ZINC000452865566 1027057682 /nfs/dbraw/zinc/05/76/82/1027057682.db2.gz GNDCDERVKAVKKG-BDJLRTHQSA-N -1 0 333.815 3.696 20 0 EHADRM CCC(CC)(CC(=O)N[C@H]1CCCO[C@H]1c1ccc(C)cc1)C(=O)[O-] ZINC000074797408 1027076950 /nfs/dbraw/zinc/07/69/50/1027076950.db2.gz OMYOLMOGAMRURA-WMZOPIPTSA-N -1 0 347.455 3.612 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2cccc3c2OCCC3)cc1C ZINC000531598283 1027091883 /nfs/dbraw/zinc/09/18/83/1027091883.db2.gz LUYVEALXVPTAED-UHFFFAOYSA-N -1 0 347.436 3.520 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2scnc2C2CC2)cc1 ZINC000342796215 1027125843 /nfs/dbraw/zinc/12/58/43/1027125843.db2.gz JONHFHGEHAGNLT-UHFFFAOYSA-N -1 0 326.468 3.543 20 0 EHADRM CCn1nnc(C)c1/C=C(\CCC(=O)[O-])c1nc2ccccc2s1 ZINC000453011611 1027224107 /nfs/dbraw/zinc/22/41/07/1027224107.db2.gz CBJHHOWQKUNDQO-ZRDIBKRKSA-N -1 0 342.424 3.622 20 0 EHADRM CCc1n[n-]c(=NCc2ccc(-c3ccc(C(F)(F)F)cc3)o2)o1 ZINC000453048816 1027263195 /nfs/dbraw/zinc/26/31/95/1027263195.db2.gz AILAWRPZIYFCFQ-UHFFFAOYSA-N -1 0 337.301 3.945 20 0 EHADRM Cc1cc(Cl)cc(C)c1CN=c1[n-]nc(C2CCOCC2)s1 ZINC000453049674 1027274645 /nfs/dbraw/zinc/27/46/45/1027274645.db2.gz DXHDRQXDAPJRCN-UHFFFAOYSA-N -1 0 337.876 3.736 20 0 EHADRM CCOc1ccccc1[N-]S(=O)(=O)c1cc(C)cc2cccnc21 ZINC000614737828 1027306042 /nfs/dbraw/zinc/30/60/42/1027306042.db2.gz QNAYMCCFGYIMSZ-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)NCC3(C(=O)[O-])CCC3)c(F)c2)cc1 ZINC000531751404 1027312831 /nfs/dbraw/zinc/31/28/31/1027312831.db2.gz JRHDJKRWWLNYMF-UHFFFAOYSA-N -1 0 341.382 3.786 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)c2cccc(-n3cccc3)c2)cc1 ZINC000327059273 1027358476 /nfs/dbraw/zinc/35/84/76/1027358476.db2.gz ZTARHBXBOMNURI-FLIBITNWSA-N -1 0 332.359 3.827 20 0 EHADRM CCOc1ccccc1CCC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000414451690 1027472200 /nfs/dbraw/zinc/47/22/00/1027472200.db2.gz OBDVNPCVYDXSDD-CQSZACIVSA-N -1 0 341.407 3.845 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)N[C@@](C)(C1CC1)C(F)(F)F ZINC000414452826 1027496949 /nfs/dbraw/zinc/49/69/49/1027496949.db2.gz MEWOBOAAQVDZMU-LBPRGKRZSA-N -1 0 341.782 3.658 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@@H](c2ccncc2)C2CCCC2)c1 ZINC000897312139 1027550403 /nfs/dbraw/zinc/55/04/03/1027550403.db2.gz XVMHQBNTHBFZTC-LJQANCHMSA-N -1 0 338.407 3.902 20 0 EHADRM CC1(c2cc([N-]S(=O)(=O)c3ccccc3Cl)no2)CCCC1 ZINC000582762794 1027612373 /nfs/dbraw/zinc/61/23/73/1027612373.db2.gz RNVBFIKSZSQNBT-UHFFFAOYSA-N -1 0 340.832 3.961 20 0 EHADRM COCCNc1ccc(CN=c2nc(C3CCCCC3)[n-]s2)cc1 ZINC000420584936 1027632154 /nfs/dbraw/zinc/63/21/54/1027632154.db2.gz NFJGYXIMSPGSKG-UHFFFAOYSA-N -1 0 346.500 3.678 20 0 EHADRM CC[C@H](N=c1[n-]nc(-c2ccc(OC)cc2)s1)c1c(C)noc1C ZINC000420602461 1027638770 /nfs/dbraw/zinc/63/87/70/1027638770.db2.gz HVZCVQWLBYTUOF-AWEZNQCLSA-N -1 0 344.440 3.804 20 0 EHADRM CC(C)(C)OCc1cc(CN=c2nc(C3CCCC3)[n-]s2)no1 ZINC000420612418 1027644545 /nfs/dbraw/zinc/64/45/45/1027644545.db2.gz OSRRHBQLMBOGDK-UHFFFAOYSA-N -1 0 336.461 3.533 20 0 EHADRM CC[C@@H]1CN(C(=O)CC2(C(=O)[O-])CCC2)CC[C@H]1c1ccccc1 ZINC000262526659 1027655353 /nfs/dbraw/zinc/65/53/53/1027655353.db2.gz OUSQMJWBFJLVGO-NVXWUHKLSA-N -1 0 329.440 3.674 20 0 EHADRM Cc1cccc(C)c1[C@H](C)NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000414645684 1027673925 /nfs/dbraw/zinc/67/39/25/1027673925.db2.gz QRRYYJGBIIMEHL-AWEZNQCLSA-N -1 0 326.396 3.562 20 0 EHADRM C[C@@H]1C[C@H]1[C@H](NC(=O)CC1(C(=O)[O-])CCC1)c1ccc(Cl)cc1 ZINC000262528356 1027687321 /nfs/dbraw/zinc/68/73/21/1027687321.db2.gz PBDFQHUNGKGDLA-DJSGYFEHSA-N -1 0 335.831 3.798 20 0 EHADRM CC(C)(C(=O)[O-])n1cc(NC(=O)c2ccc(C3CCCC3)cc2)cn1 ZINC000909598251 1027694134 /nfs/dbraw/zinc/69/41/34/1027694134.db2.gz NGJMKLYJCQPKTR-UHFFFAOYSA-N -1 0 341.411 3.613 20 0 EHADRM CC(C)[C@H]1CCN1C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000455129526 1027758158 /nfs/dbraw/zinc/75/81/58/1027758158.db2.gz ASMGYGWGEPPDKU-GFCCVEGCSA-N -1 0 336.848 3.543 20 0 EHADRM CCSCc1cccc(NC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000422543456 1027784980 /nfs/dbraw/zinc/78/49/80/1027784980.db2.gz RZAZMPRAGKQMPN-OCCSQVGLSA-N -1 0 336.457 3.514 20 0 EHADRM CC1(C)[C@H](c2ccccc2)CCN1C(=O)NCCCCCC(=O)[O-] ZINC000422589487 1027801343 /nfs/dbraw/zinc/80/13/43/1027801343.db2.gz MUVVVOTULVIYRZ-INIZCTEOSA-N -1 0 332.444 3.609 20 0 EHADRM CCCCCN(C(=O)C(=O)Nc1ccccc1C(=O)[O-])[C@H](C)CCC ZINC000422633121 1027830231 /nfs/dbraw/zinc/83/02/31/1027830231.db2.gz ICOZDDZHIYCKAD-CQSZACIVSA-N -1 0 348.443 3.531 20 0 EHADRM O=C(C[C@H](O)c1ccc(Cl)cc1)Nc1ccc(O)c(Cl)c1 ZINC000305802779 1027896856 /nfs/dbraw/zinc/89/68/56/1027896856.db2.gz FBFDPASKRMIZFB-AWEZNQCLSA-N -1 0 326.179 3.761 20 0 EHADRM Cc1ccccc1N(CCC(=O)[O-])C(=O)N(C)Cc1ccccc1 ZINC000275118514 1027922985 /nfs/dbraw/zinc/92/29/85/1027922985.db2.gz LXQCXQJWFWZRQC-UHFFFAOYSA-N -1 0 326.396 3.528 20 0 EHADRM COc1cc(C)c(-c2ccc([C@@H](CC(=O)[O-])NC(C)=O)cc2)cc1C ZINC000582857703 1028038110 /nfs/dbraw/zinc/03/81/10/1028038110.db2.gz WXYBSMRWDIEJOI-GOSISDBHSA-N -1 0 341.407 3.631 20 0 EHADRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)c(C)s1 ZINC000047831371 1028041028 /nfs/dbraw/zinc/04/10/28/1028041028.db2.gz QJLBABMEBUONRD-UHFFFAOYSA-N -1 0 335.859 3.773 20 0 EHADRM COc1cc(C)c(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)cc1C ZINC000444610043 1028070742 /nfs/dbraw/zinc/07/07/42/1028070742.db2.gz PFUOJYSYSDHJRG-UHFFFAOYSA-N -1 0 349.390 3.518 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000237751715 1028082807 /nfs/dbraw/zinc/08/28/07/1028082807.db2.gz BXFBSQFPSYSMSZ-CQSZACIVSA-N -1 0 329.396 3.909 20 0 EHADRM Cc1cnn(C2CCOCC2)c1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211962863 1028215725 /nfs/dbraw/zinc/21/57/25/1028215725.db2.gz PNWNKUUHDQYOHZ-UHFFFAOYSA-N -1 0 335.791 3.638 20 0 EHADRM CCCOc1ccc(Cl)cc1[N-]S(=O)(=O)c1c(C)noc1C ZINC000055642830 1028283167 /nfs/dbraw/zinc/28/31/67/1028283167.db2.gz LJVZUADKIQRPEI-UHFFFAOYSA-N -1 0 344.820 3.534 20 0 EHADRM CC[C@@H](c1ccc(F)cc1F)S(=O)(=O)c1nc2ccccc2[n-]1 ZINC000523467946 1028348778 /nfs/dbraw/zinc/34/87/78/1028348778.db2.gz RDBNXFWIOMDWFU-HNNXBMFYSA-N -1 0 336.363 3.766 20 0 EHADRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1OCC(C)C ZINC000614863315 1028364274 /nfs/dbraw/zinc/36/42/74/1028364274.db2.gz XXUHGFDGGNSAQB-UHFFFAOYSA-N -1 0 337.416 3.970 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)c(F)c1 ZINC000105387629 1028385244 /nfs/dbraw/zinc/38/52/44/1028385244.db2.gz PLBXTZVIKIBBIF-UHFFFAOYSA-N -1 0 349.305 3.675 20 0 EHADRM CC1(C)Cc2cc(Nc3cc(Cl)cc(C(=O)[O-])c3)ccc2C(=O)N1 ZINC001211969321 1028396310 /nfs/dbraw/zinc/39/63/10/1028396310.db2.gz CZTILAMSCHOYRF-UHFFFAOYSA-N -1 0 344.798 3.846 20 0 EHADRM COCCNc1cccc(F)c1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211969400 1028425805 /nfs/dbraw/zinc/42/58/05/1028425805.db2.gz HPHGSUAMBXXUOH-UHFFFAOYSA-N -1 0 338.766 3.979 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000194377901 1028512515 /nfs/dbraw/zinc/51/25/15/1028512515.db2.gz TZZDAFXTPGHZCU-UHFFFAOYSA-N -1 0 347.773 3.820 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)c1ccc(C(=O)[O-])o1 ZINC000236933804 1028604634 /nfs/dbraw/zinc/60/46/34/1028604634.db2.gz YHMWMCMONLGGPT-UHFFFAOYSA-N -1 0 325.773 3.996 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)s1 ZINC000523786618 1028618712 /nfs/dbraw/zinc/61/87/12/1028618712.db2.gz CUWNHNYSTKXWJP-DZGCQCFKSA-N -1 0 344.484 3.568 20 0 EHADRM CCc1ccc(CCC(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)cc1 ZINC000237165699 1028640972 /nfs/dbraw/zinc/64/09/72/1028640972.db2.gz VBJDRCBUZQQSPT-IBGZPJMESA-N -1 0 339.435 3.822 20 0 EHADRM C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])c1cc2ccccc2o1 ZINC000237460332 1028649531 /nfs/dbraw/zinc/64/95/31/1028649531.db2.gz DGRLFLVSOJOQBR-DYVFJYSZSA-N -1 0 349.386 3.574 20 0 EHADRM Cc1cccc([C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)c1 ZINC000237478533 1028652643 /nfs/dbraw/zinc/65/26/43/1028652643.db2.gz NXDHYMBUBOEZHC-QAPCUYQASA-N -1 0 325.408 3.739 20 0 EHADRM Cc1cccc([C@@H](C)C(=O)N[C@H](CC(=O)[O-])c2ccccc2C)c1 ZINC000237483678 1028654138 /nfs/dbraw/zinc/65/41/38/1028654138.db2.gz NXDHYMBUBOEZHC-CRAIPNDOSA-N -1 0 325.408 3.739 20 0 EHADRM C[C@H](NC(=O)CC(C)(C)CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000237569127 1028655405 /nfs/dbraw/zinc/65/54/05/1028655405.db2.gz HYQHKKBFLHQBKP-JTQLQIEISA-N -1 0 347.333 3.653 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)c1cc2c(s1)CCCCCC2 ZINC000523846163 1028670986 /nfs/dbraw/zinc/67/09/86/1028670986.db2.gz ZYOXIRYRWYGBHD-UHFFFAOYSA-N -1 0 327.453 3.749 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)o1 ZINC000238051585 1028675126 /nfs/dbraw/zinc/67/51/26/1028675126.db2.gz FDFKYXOZAZIGTM-NSHDSACASA-N -1 0 347.676 3.665 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000238086821 1028676497 /nfs/dbraw/zinc/67/64/97/1028676497.db2.gz YKSILBNQIFHTKK-KGLIPLIRSA-N -1 0 329.783 3.709 20 0 EHADRM Cc1ncc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c(C2CC2)n1 ZINC000532744653 1028760807 /nfs/dbraw/zinc/76/08/07/1028760807.db2.gz WLSDLKCTODAWAO-UHFFFAOYSA-N -1 0 345.468 3.662 20 0 EHADRM O=S(=O)([N-]c1nc2ccsc2s1)c1ccc(F)cc1Cl ZINC000524024353 1028774852 /nfs/dbraw/zinc/77/48/52/1028774852.db2.gz VXRANTFTBPEITI-UHFFFAOYSA-N -1 0 348.833 3.951 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2COC)s1 ZINC000424089209 1028793362 /nfs/dbraw/zinc/79/33/62/1028793362.db2.gz VLBNSXCZAOIQHV-UHFFFAOYSA-N -1 0 345.873 3.911 20 0 EHADRM Cc1noc(C)c1CCSc1n[n-]c(=Nc2ccccc2)s1 ZINC000533716209 1028799571 /nfs/dbraw/zinc/79/95/71/1028799571.db2.gz GWYNAFDOBZTNKQ-UHFFFAOYSA-N -1 0 332.454 3.643 20 0 EHADRM O=C([O-])c1cc(/C=C\c2ccccc2OCc2ccccc2)ncn1 ZINC000532803244 1028860720 /nfs/dbraw/zinc/86/07/20/1028860720.db2.gz GTHSWYUINPYSAY-KHPPLWFESA-N -1 0 332.359 3.924 20 0 EHADRM CCCCOc1cc(/C=C\c2cc(C(=O)[O-])ncn2)ccc1OC ZINC000532803290 1028862149 /nfs/dbraw/zinc/86/21/49/1028862149.db2.gz SWKXEAMLGDGBCL-ALCCZGGFSA-N -1 0 328.368 3.533 20 0 EHADRM Cc1cc(F)cc([N-]S(=O)(=O)c2cccc3ccc(C)nc32)c1 ZINC000532882932 1028989682 /nfs/dbraw/zinc/98/96/82/1028989682.db2.gz NBOJBWMBPKANAV-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM COc1cc(C(=O)[O-])cc(-c2cccc(COC(C)C)c2)c1OC ZINC000583155678 1029031794 /nfs/dbraw/zinc/03/17/94/1029031794.db2.gz ZNENBQWCGTVYJE-UHFFFAOYSA-N -1 0 330.380 3.994 20 0 EHADRM Cc1ccc(-c2ncco2)cc1NC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000424382759 1029037774 /nfs/dbraw/zinc/03/77/74/1029037774.db2.gz OYFJCABNIFWFIG-AWEZNQCLSA-N -1 0 345.399 3.518 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CN(C(=O)NCCC(C)(C)C(=O)[O-])C2CC2)o1 ZINC000424397966 1029050515 /nfs/dbraw/zinc/05/05/15/1029050515.db2.gz LXHAVULQSKLQOE-IUODEOHRSA-N -1 0 348.443 3.578 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N[C@H](c2ccccc2)C(C)C)s1 ZINC000503119085 1029063468 /nfs/dbraw/zinc/06/34/68/1029063468.db2.gz MDIGSQRZXCEWFN-HNNXBMFYSA-N -1 0 332.473 3.677 20 0 EHADRM Cc1ccc(Cc2n[n-]c(=NC(=O)Nc3ccccc3C)s2)cc1 ZINC000503177761 1029114685 /nfs/dbraw/zinc/11/46/85/1029114685.db2.gz SUKAVFYNHJZCRS-UHFFFAOYSA-N -1 0 338.436 3.812 20 0 EHADRM CC[C@@H](NC(=O)N=c1ccc(C2CC2)n[n-]1)c1ccc(Cl)s1 ZINC000532985406 1029144006 /nfs/dbraw/zinc/14/40/06/1029144006.db2.gz HQQVAJKPPOXOHO-SNVBAGLBSA-N -1 0 336.848 3.764 20 0 EHADRM Cc1ccc(S[C@@H](C)C(=O)Nc2cccc(OCC(=O)[O-])c2)cc1 ZINC000347380107 1029158515 /nfs/dbraw/zinc/15/85/15/1029158515.db2.gz VMCUNRUIUINOSZ-ZDUSSCGKSA-N -1 0 345.420 3.578 20 0 EHADRM CCc1nc(CN[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])cs1 ZINC000424620143 1029183268 /nfs/dbraw/zinc/18/32/68/1029183268.db2.gz ODBLYJPNSVHKRH-KRWDZBQOSA-N -1 0 340.448 3.644 20 0 EHADRM C[C@H](Sc1n[n-]c(=NCCc2cccs2)s1)C(F)(F)F ZINC000427098630 1029200819 /nfs/dbraw/zinc/20/08/19/1029200819.db2.gz CWFRPNOENMEYNQ-ZETCQYMHSA-N -1 0 339.433 3.719 20 0 EHADRM Cc1csc(-c2ccc(NC(=O)[C@H]3CCC[C@H]3C(=O)[O-])cc2)n1 ZINC000634874495 1029231504 /nfs/dbraw/zinc/23/15/04/1029231504.db2.gz URZNSXDMWWFMRL-UONOGXRCSA-N -1 0 330.409 3.558 20 0 EHADRM CC(C)C1(C)CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])CC1 ZINC000428427408 1029305283 /nfs/dbraw/zinc/30/52/83/1029305283.db2.gz RLUGWXXAEGVZLK-UHFFFAOYSA-N -1 0 345.418 3.615 20 0 EHADRM CCOc1cc(/C=C\c2ncc(C(=O)[O-])c(C(C)C)n2)ccc1OC ZINC000255355953 1029367201 /nfs/dbraw/zinc/36/72/01/1029367201.db2.gz SJVAHIPZYBTQPJ-CLFYSBASSA-N -1 0 342.395 3.876 20 0 EHADRM CC(=O)c1cccc(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)c1C ZINC001213196117 1029387968 /nfs/dbraw/zinc/38/79/68/1029387968.db2.gz AAOATIQVRQSNFK-UHFFFAOYSA-N -1 0 340.379 3.745 20 0 EHADRM CCc1oc(C(=O)N2CC[C@@H](C)C3(CCCCC3)C2)cc1C(=O)[O-] ZINC000261649408 1029468885 /nfs/dbraw/zinc/46/88/85/1029468885.db2.gz MHTLBZKAYGTFES-CYBMUJFWSA-N -1 0 333.428 3.973 20 0 EHADRM CCc1oc(C(=O)N(C)[C@@H](C)Cc2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000261678509 1029480885 /nfs/dbraw/zinc/48/08/85/1029480885.db2.gz QCOYWECLQYXAJN-NSHDSACASA-N -1 0 349.814 3.897 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cnc(C)nc2C2CC2)cc1 ZINC000533218596 1029481976 /nfs/dbraw/zinc/48/19/76/1029481976.db2.gz ZOOMQXDUYPJQDA-GFCCVEGCSA-N -1 0 345.468 3.977 20 0 EHADRM CCc1oc(C(=O)NC2(c3ccc(F)cc3)CCCC2)cc1C(=O)[O-] ZINC000261697747 1029484880 /nfs/dbraw/zinc/48/48/80/1029484880.db2.gz SRVQQJVHRKTERL-UHFFFAOYSA-N -1 0 345.370 3.879 20 0 EHADRM CSc1ccc(F)cc1CNC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000524793397 1029514990 /nfs/dbraw/zinc/51/49/90/1029514990.db2.gz OGVSFTHMQGRXAV-UHFFFAOYSA-N -1 0 339.432 3.589 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2ccc(COC(C)C)cc2)c1 ZINC000272660247 1029553956 /nfs/dbraw/zinc/55/39/56/1029553956.db2.gz HUARTSAFVDCIFY-UHFFFAOYSA-N -1 0 327.380 3.772 20 0 EHADRM COc1ccc(C(C)(C)C(=O)Nc2cc(C(C)=O)ccc2[O-])cc1 ZINC000272716536 1029579275 /nfs/dbraw/zinc/57/92/75/1029579275.db2.gz WOIZSCOXAIEVIV-UHFFFAOYSA-N -1 0 327.380 3.520 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])cc2F)[C@H](c2ccco2)C1 ZINC000262308868 1029582785 /nfs/dbraw/zinc/58/27/85/1029582785.db2.gz BDODZMZJSMVMKS-ABAIWWIYSA-N -1 0 331.343 3.730 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC(c3ccccc3)CC2)c(F)c1 ZINC000262393900 1029594418 /nfs/dbraw/zinc/59/44/18/1029594418.db2.gz NDCJJUJQLGKRQH-UHFFFAOYSA-N -1 0 327.355 3.544 20 0 EHADRM COc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000614866246 1029626474 /nfs/dbraw/zinc/62/64/74/1029626474.db2.gz VATPKPUKGKBCLW-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM Cc1nc(C(C)(C)C)nc(N2CCC(C(C)(C)C(=O)[O-])CC2)c1C ZINC000583324616 1029640819 /nfs/dbraw/zinc/64/08/19/1029640819.db2.gz BXGBUPZFQNRDLP-UHFFFAOYSA-N -1 0 333.476 3.718 20 0 EHADRM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000262833005 1029641010 /nfs/dbraw/zinc/64/10/10/1029641010.db2.gz BTJBBAQZGANKTF-XDNAFOTISA-N -1 0 329.440 3.590 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc(Cl)c(OC(F)F)c2)CCC1 ZINC000262833935 1029642383 /nfs/dbraw/zinc/64/23/83/1029642383.db2.gz RGNKDBFIKZCLIP-UHFFFAOYSA-N -1 0 333.718 3.525 20 0 EHADRM C[C@@H](NC(=O)CC1(C(=O)[O-])CCC1)c1ccc(-c2ccncc2)cc1 ZINC000262862384 1029646803 /nfs/dbraw/zinc/64/68/03/1029646803.db2.gz UGBTYAKFWKWDLE-CQSZACIVSA-N -1 0 338.407 3.571 20 0 EHADRM COc1cc(NC(=O)C[C@H](C)Cc2cccc(F)c2)ccc1C(=O)[O-] ZINC000262951752 1029652838 /nfs/dbraw/zinc/65/28/38/1029652838.db2.gz MYDDTVNMZVPPEM-GFCCVEGCSA-N -1 0 345.370 3.740 20 0 EHADRM CCc1oc(C(=O)N2CCc3c(cccc3C(C)C)C2)cc1C(=O)[O-] ZINC000262958003 1029653451 /nfs/dbraw/zinc/65/34/51/1029653451.db2.gz LUMQDOMSHMHTOP-UHFFFAOYSA-N -1 0 341.407 3.862 20 0 EHADRM COc1cc(Cl)c(Cl)cc1NC(=O)NC(C)(C)CCC(=O)[O-] ZINC000262998105 1029655357 /nfs/dbraw/zinc/65/53/57/1029655357.db2.gz FQBKGIXGMQJQBP-UHFFFAOYSA-N -1 0 349.214 3.767 20 0 EHADRM Cc1cc(CCCC(=O)N[C@@](C)(CC(=O)[O-])C(C)C)c(C)s1 ZINC000262997070 1029655781 /nfs/dbraw/zinc/65/57/81/1029655781.db2.gz OOCAHZYUQUOYBI-KRWDZBQOSA-N -1 0 325.474 3.693 20 0 EHADRM C[C@@H]1CCCC[C@@H]1C(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC000263065386 1029662828 /nfs/dbraw/zinc/66/28/28/1029662828.db2.gz NZZWVVFFZHSOLN-QAPCUYQASA-N -1 0 343.467 3.992 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000263081608 1029664511 /nfs/dbraw/zinc/66/45/11/1029664511.db2.gz UWQKPMXEPXRTIE-ITDIGPHOSA-N -1 0 347.411 3.674 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CSc1ccc2ccccc2c1 ZINC000263088809 1029666449 /nfs/dbraw/zinc/66/64/49/1029666449.db2.gz BYMJYPBTEGDSDX-XJKSGUPXSA-N -1 0 343.448 3.644 20 0 EHADRM C[C@@H]1C[C@@H](CC(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)CC(C)(C)C1 ZINC000263158736 1029670340 /nfs/dbraw/zinc/67/03/40/1029670340.db2.gz XWZNGXZQRQWKTI-BFQNTYOBSA-N -1 0 349.393 3.705 20 0 EHADRM CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000263186865 1029671195 /nfs/dbraw/zinc/67/11/95/1029671195.db2.gz SDJMWCCWJXGPOO-AUUYWEPGSA-N -1 0 327.380 3.678 20 0 EHADRM CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000263186868 1029671597 /nfs/dbraw/zinc/67/15/97/1029671597.db2.gz SDJMWCCWJXGPOO-LIRRHRJNSA-N -1 0 327.380 3.678 20 0 EHADRM CSc1ccsc1C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263185908 1029671836 /nfs/dbraw/zinc/67/18/36/1029671836.db2.gz SCSKKNQUFAGXIB-ZDUSSCGKSA-N -1 0 349.477 3.676 20 0 EHADRM O=C([O-])CCCCC(=O)N[C@H](Cc1ccccc1)c1cccs1 ZINC000263260457 1029680982 /nfs/dbraw/zinc/68/09/82/1029680982.db2.gz GJPRTNPYOVSMNE-OAHLLOKOSA-N -1 0 331.437 3.793 20 0 EHADRM CCCOc1cccc(CC(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c1 ZINC000263293501 1029684624 /nfs/dbraw/zinc/68/46/24/1029684624.db2.gz MNXLBVZGPMQLDV-CQSZACIVSA-N -1 0 341.407 3.845 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)CCC2 ZINC000263346907 1029690636 /nfs/dbraw/zinc/69/06/36/1029690636.db2.gz UIOFWHRWMVHZMH-SOLBZPMBSA-N -1 0 329.440 3.805 20 0 EHADRM CCc1c(C)sc(NC(=O)CC[C@H]2CC[C@@H](C)O2)c1C(=O)[O-] ZINC000263401029 1029694818 /nfs/dbraw/zinc/69/48/18/1029694818.db2.gz FFRHYWITJGAVKM-MWLCHTKSSA-N -1 0 325.430 3.603 20 0 EHADRM Cc1cccc(OCCCCC(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])c1 ZINC000263411466 1029695045 /nfs/dbraw/zinc/69/50/45/1029695045.db2.gz HAQLBDAMEPWJKN-MSOLQXFVSA-N -1 0 347.455 3.694 20 0 EHADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)Nc1ccc(Cl)c(Cl)c1)C2 ZINC000263484572 1029703591 /nfs/dbraw/zinc/70/35/91/1029703591.db2.gz MCYSQQKSDGNHCF-BJOHPYRUSA-N -1 0 343.210 3.712 20 0 EHADRM CCCN(CC(C)C)C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263490820 1029703879 /nfs/dbraw/zinc/70/38/79/1029703879.db2.gz RBAHTPXHVHBLOT-QGZVFWFLSA-N -1 0 334.460 3.540 20 0 EHADRM CCc1oc(C(=O)Nc2c(C)cc(OC)c(C)c2C)cc1C(=O)[O-] ZINC000263522486 1029706785 /nfs/dbraw/zinc/70/67/85/1029706785.db2.gz HXIRINISJQQDOB-UHFFFAOYSA-N -1 0 331.368 3.726 20 0 EHADRM COCC[C@H](Cc1cccc(F)c1)Nc1cccc(CCC(=O)[O-])c1 ZINC000263526683 1029709260 /nfs/dbraw/zinc/70/92/60/1029709260.db2.gz UGMZDDFKQMVYON-LJQANCHMSA-N -1 0 345.414 3.903 20 0 EHADRM CSCCO[N-]C(=O)C(C)(C)c1csc(-c2cccs2)n1 ZINC000282055592 1029718367 /nfs/dbraw/zinc/71/83/67/1029718367.db2.gz MAVHEIVKWLUXMD-UHFFFAOYSA-N -1 0 342.511 3.560 20 0 EHADRM O=C([O-])CCc1cc(F)ccc1-c1ccc(O[C@H]2CCOC2)cc1 ZINC000583392771 1029758785 /nfs/dbraw/zinc/75/87/85/1029758785.db2.gz PJZMWIZKMZYWPW-KRWDZBQOSA-N -1 0 330.355 3.678 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(C)c(C)nn2)cc1 ZINC000446812768 1029800068 /nfs/dbraw/zinc/80/00/68/1029800068.db2.gz BZDGPCUDEAFFAN-UHFFFAOYSA-N -1 0 333.457 3.582 20 0 EHADRM Fc1cccc(Oc2ccc(CN=c3[n-]nc(C(F)F)o3)cc2)c1 ZINC000446898088 1029844453 /nfs/dbraw/zinc/84/44/53/1029844453.db2.gz JBGKIKQMBRPXDG-UHFFFAOYSA-N -1 0 335.285 3.973 20 0 EHADRM Cc1cc(C)nc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)c1 ZINC000446942863 1029861995 /nfs/dbraw/zinc/86/19/95/1029861995.db2.gz UNAANDZESVHYCJ-UHFFFAOYSA-N -1 0 344.358 3.826 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000525525411 1029881392 /nfs/dbraw/zinc/88/13/92/1029881392.db2.gz LCQHQNBAFJZZTG-UHFFFAOYSA-N -1 0 345.342 3.694 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1cccc(OCC(C)C)c1 ZINC000525523678 1029881624 /nfs/dbraw/zinc/88/16/24/1029881624.db2.gz OXDILWUKWQXLGD-UHFFFAOYSA-N -1 0 325.455 3.892 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)[C@@H]3CC3(C)C)n2)c1 ZINC000508756680 1029890857 /nfs/dbraw/zinc/89/08/57/1029890857.db2.gz JLYTWFXVJBPFEA-MRXNPFEDSA-N -1 0 327.428 3.572 20 0 EHADRM CCN=c1[n-]nc(S[C@@H](C)Cc2ccc3ccccc3n2)s1 ZINC000481761685 1029942407 /nfs/dbraw/zinc/94/24/07/1029942407.db2.gz QKMBRRLHARJSFX-NSHDSACASA-N -1 0 330.482 3.663 20 0 EHADRM CO[C@H](C)c1nc(=N[C@@H](C)c2ccc(OC(F)(F)F)cc2)s[n-]1 ZINC000509648808 1029944238 /nfs/dbraw/zinc/94/42/38/1029944238.db2.gz KPDWVFLGTFPESL-DTWKUNHWSA-N -1 0 347.362 3.739 20 0 EHADRM COCc1cc(NC(=O)CCc2ccc(C)cc2C)cc(C(=O)[O-])c1 ZINC000427667332 1029953456 /nfs/dbraw/zinc/95/34/56/1029953456.db2.gz AIRXIAGDJYTETL-UHFFFAOYSA-N -1 0 341.407 3.719 20 0 EHADRM CO[C@H](C)c1nc(=N[C@H](C)CCc2ccc(OC(C)C)cc2)s[n-]1 ZINC000509698702 1029976013 /nfs/dbraw/zinc/97/60/13/1029976013.db2.gz MFMXIEVTUAHJOO-ZIAGYGMSSA-N -1 0 349.500 3.888 20 0 EHADRM CCCC[C@H](Sc1n[n-]c(=Nc2ccccc2)s1)C(=O)OC ZINC000525703761 1030033938 /nfs/dbraw/zinc/03/39/38/1030033938.db2.gz NFWBVCJYDGBCAG-LBPRGKRZSA-N -1 0 337.470 3.528 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1ccc(Cl)cc1Cl ZINC000120525407 1030041386 /nfs/dbraw/zinc/04/13/86/1030041386.db2.gz UXPICYFVSMFIRX-UHFFFAOYSA-N -1 0 338.237 3.864 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)N[C@@H](C)CC3CCCCC3)cc2=O)cc1 ZINC000447318561 1030091443 /nfs/dbraw/zinc/09/14/43/1030091443.db2.gz SPKTVFHDBXFVKC-HNNXBMFYSA-N -1 0 341.455 3.563 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N(C)C3CCCC3)s2)c1 ZINC000481948884 1030138830 /nfs/dbraw/zinc/13/88/30/1030138830.db2.gz BUYYIRGOWZKGJD-UHFFFAOYSA-N -1 0 330.457 3.650 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccccc2Cl)s1 ZINC000042316726 1030143521 /nfs/dbraw/zinc/14/35/21/1030143521.db2.gz ISNSBQKMYVVKGZ-UHFFFAOYSA-N -1 0 329.830 3.598 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N(C)[C@@H](C)C3CCC3)s2)c1 ZINC000481977622 1030143588 /nfs/dbraw/zinc/14/35/88/1030143588.db2.gz FOTRPPYYDNFLOJ-ZDUSSCGKSA-N -1 0 344.484 3.896 20 0 EHADRM CCc1ncsc1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000550796203 1030183012 /nfs/dbraw/zinc/18/30/12/1030183012.db2.gz DELAMVSBOIARHC-UHFFFAOYSA-N -1 0 337.253 3.813 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)c2ccc(Oc3ccccc3)o2)s1 ZINC000482121184 1030223253 /nfs/dbraw/zinc/22/32/53/1030223253.db2.gz KZKFENTWFZYFJT-UHFFFAOYSA-N -1 0 343.408 3.796 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2noc3ccc(Cl)cc32)c(C)s1 ZINC000427774757 1030424143 /nfs/dbraw/zinc/42/41/43/1030424143.db2.gz DROAIGAXAMKUPQ-UHFFFAOYSA-N -1 0 342.829 3.960 20 0 EHADRM Cc1ccc(Nc2ccnn2Cc2ccc(F)cc2)cc1C(=O)[O-] ZINC001211594067 1030482057 /nfs/dbraw/zinc/48/20/57/1030482057.db2.gz KFWZHHSCWBOABU-UHFFFAOYSA-N -1 0 325.343 3.821 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)[C@H]3CCSc4ccccc43)[nH][n-]2)o1 ZINC000447806121 1030506136 /nfs/dbraw/zinc/50/61/36/1030506136.db2.gz MBEYUIBSOPSERR-ZDUSSCGKSA-N -1 0 339.420 3.618 20 0 EHADRM COc1cc(NC(=O)CC(C)(C)CC(=O)[O-])ccc1C(F)(F)F ZINC000448111080 1030527858 /nfs/dbraw/zinc/52/78/58/1030527858.db2.gz WRZDZHSOXOMQTA-UHFFFAOYSA-N -1 0 333.306 3.544 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CC[C@H](C(C)C)C3)n2)c1 ZINC000532285848 1030534719 /nfs/dbraw/zinc/53/47/19/1030534719.db2.gz LCJMLDFGXMBDGD-INIZCTEOSA-N -1 0 341.455 3.819 20 0 EHADRM CCCC[C@H](CC)C(=O)Nc1ccccc1-n1ccc(C(=O)[O-])n1 ZINC000447892584 1030573015 /nfs/dbraw/zinc/57/30/15/1030573015.db2.gz IOSGMMDHUHIPOS-ZDUSSCGKSA-N -1 0 329.400 3.725 20 0 EHADRM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1O ZINC000583731398 1030579129 /nfs/dbraw/zinc/57/91/29/1030579129.db2.gz QJRFCRPLXDIQQB-UHFFFAOYSA-N -1 0 347.436 3.693 20 0 EHADRM CC1(C)CCC[C@@H](C(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)C1 ZINC000179392161 1030636171 /nfs/dbraw/zinc/63/61/71/1030636171.db2.gz ZFNHIQIFZHDDJB-MRXNPFEDSA-N -1 0 347.480 3.636 20 0 EHADRM C[C@H](CNC(=O)N=c1nc(-c2ccsc2)[n-]s1)c1ccccc1 ZINC000448001295 1030651020 /nfs/dbraw/zinc/65/10/20/1030651020.db2.gz QCVXGWXZSAOGFC-LLVKDONJSA-N -1 0 344.465 3.614 20 0 EHADRM Cc1cccc(OC[C@@H](C)NC(=O)c2cc(F)c([O-])c(Cl)c2)c1 ZINC000194478879 1030679207 /nfs/dbraw/zinc/67/92/07/1030679207.db2.gz OTOIFOBBMPKRTF-LLVKDONJSA-N -1 0 337.778 3.690 20 0 EHADRM CCSCc1ccccc1C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000448108355 1030731653 /nfs/dbraw/zinc/73/16/53/1030731653.db2.gz PLYXABGJKJILNJ-UHFFFAOYSA-N -1 0 335.498 3.763 20 0 EHADRM CC(C)[C@H](NC(=O)N=c1ccc(C2CC2)n[n-]1)c1ccccc1Cl ZINC000448155694 1030779067 /nfs/dbraw/zinc/77/90/67/1030779067.db2.gz MSDCRNYRPMUADC-KRWDZBQOSA-N -1 0 344.846 3.948 20 0 EHADRM CCc1cccc(CC)c1N=c1[n-]nc(SCCCCO)s1 ZINC000476666263 1030803393 /nfs/dbraw/zinc/80/33/93/1030803393.db2.gz CVWVGGXZEIZLTA-UHFFFAOYSA-N -1 0 337.514 3.693 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(c2nccc3cc(Br)ccc32)C1 ZINC000668157727 1030805807 /nfs/dbraw/zinc/80/58/07/1030805807.db2.gz GEDMOJZJSSIJGM-NSHDSACASA-N -1 0 349.228 3.688 20 0 EHADRM Cc1cccc(S([O-])=CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)c1 ZINC000194533750 1030838582 /nfs/dbraw/zinc/83/85/82/1030838582.db2.gz OFNOEERDCUDLKQ-CYFREDJKSA-N -1 0 347.455 3.755 20 0 EHADRM COc1c(Br)cccc1/C=C\c1cc(C(=O)[O-])ccn1 ZINC000550975435 1030848389 /nfs/dbraw/zinc/84/83/89/1030848389.db2.gz CCPPGIDZVBSQLL-WAYWQWQTSA-N -1 0 334.169 3.721 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000262835090 1030924396 /nfs/dbraw/zinc/92/43/96/1030924396.db2.gz SIBMCVLAERIEPA-LRDDRELGSA-N -1 0 343.810 3.734 20 0 EHADRM O=S(=O)([N-]c1nc2ccsc2s1)c1cc(Cl)ccc1F ZINC000551020150 1030926541 /nfs/dbraw/zinc/92/65/41/1030926541.db2.gz XHGXYOVTRZVMDT-UHFFFAOYSA-N -1 0 348.833 3.951 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000448353862 1030976727 /nfs/dbraw/zinc/97/67/27/1030976727.db2.gz ZZSBVBMAEFAFLE-KYJSFNMBSA-N -1 0 336.439 3.750 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)N[C@@H](c1ccccc1)C1CC1 ZINC000448359462 1030980727 /nfs/dbraw/zinc/98/07/27/1030980727.db2.gz MNLNUSFJBNSPFQ-FQEVSTJZSA-N -1 0 344.418 3.838 20 0 EHADRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000162376041 1031029598 /nfs/dbraw/zinc/02/95/98/1031029598.db2.gz NJNDQWOHTDRRFP-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM COc1nc(C(F)(F)F)ccc1-c1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000565490747 1031102792 /nfs/dbraw/zinc/10/27/92/1031102792.db2.gz LHFKKJHBWKDHIF-QWHCGFSZSA-N -1 0 337.297 3.964 20 0 EHADRM Cc1sc(/C=C\c2ccc(OCC(F)F)cc2)nc1C(=O)[O-] ZINC000559192184 1031205448 /nfs/dbraw/zinc/20/54/48/1031205448.db2.gz ZQWRGJOUIOQKDQ-DAXSKMNVSA-N -1 0 325.336 3.964 20 0 EHADRM C[C@H](Oc1cccc(/C=C\c2ccc3cccc(O)c3n2)c1)C(=O)[O-] ZINC000477044616 1031212130 /nfs/dbraw/zinc/21/21/30/1031212130.db2.gz GYYRNVCJCILJGW-KJJQSCHISA-N -1 0 335.359 3.963 20 0 EHADRM COCc1n[n-]c(=NCC[C@@H](C)c2cccc(C(F)(F)F)c2)s1 ZINC000477104873 1031241454 /nfs/dbraw/zinc/24/14/54/1031241454.db2.gz YDLSGPCAYHABND-SNVBAGLBSA-N -1 0 345.390 3.731 20 0 EHADRM CC(C)n1cc(-c2ccccc2OC[C@H]2CCOC2)cc1C(=O)[O-] ZINC000568266275 1031270598 /nfs/dbraw/zinc/27/05/98/1031270598.db2.gz OWRONFOXVMATGU-AWEZNQCLSA-N -1 0 329.396 3.850 20 0 EHADRM Cc1cccc(F)c1NS(=O)(=O)Cc1cc(Cl)ccc1F ZINC000194676170 1031326359 /nfs/dbraw/zinc/32/63/59/1031326359.db2.gz FBPXHRFJIDFMCF-UHFFFAOYSA-N -1 0 331.771 3.869 20 0 EHADRM COCc1n[n-]c(=NCc2cccc(-c3cccc(C)c3)c2)s1 ZINC000477194929 1031327980 /nfs/dbraw/zinc/32/79/80/1031327980.db2.gz QCUOFAIOVROIPN-UHFFFAOYSA-N -1 0 325.437 3.694 20 0 EHADRM Cc1oc([C@H](C)N2CCO[C@H](c3cccc(F)c3)C2)cc1C(=O)[O-] ZINC000565721487 1031374499 /nfs/dbraw/zinc/37/44/99/1031374499.db2.gz NCWCFIDQOZHSAR-GTNSWQLSSA-N -1 0 333.359 3.560 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1ccsc1Cl ZINC000668280856 1031387391 /nfs/dbraw/zinc/38/73/91/1031387391.db2.gz FUVUCEBYLCZSIY-UHFFFAOYSA-N -1 0 337.828 3.909 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H](c3ccc(F)cc3)CC2)cc1 ZINC000668313956 1031456357 /nfs/dbraw/zinc/45/63/57/1031456357.db2.gz DTGQOQOYGDKFNN-AWEZNQCLSA-N -1 0 341.382 3.934 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000668322945 1031491205 /nfs/dbraw/zinc/49/12/05/1031491205.db2.gz KZHHZRATUGKLQK-DLBZAZTESA-N -1 0 325.408 3.703 20 0 EHADRM CCC(CC)[C@H](NC(=O)c1ccc2oc(=O)nc-2[n-]1)c1cccs1 ZINC000667002160 1031516149 /nfs/dbraw/zinc/51/61/49/1031516149.db2.gz DNBFIJNSAPJNNY-AWEZNQCLSA-N -1 0 345.424 3.897 20 0 EHADRM CC(C)[C@H](c1ccc(F)cc1)N(C)C(=O)N=c1[n-]nc(C2CC2)s1 ZINC000584046414 1031566440 /nfs/dbraw/zinc/56/64/40/1031566440.db2.gz KTDXBSMQUGBZDB-CQSZACIVSA-N -1 0 348.447 3.838 20 0 EHADRM O=C([O-])CCCc1ccccc1NCc1cccc2c1CCOC2 ZINC000904015046 1031600440 /nfs/dbraw/zinc/60/04/40/1031600440.db2.gz CQHCSBBTHCKAJQ-UHFFFAOYSA-N -1 0 325.408 3.779 20 0 EHADRM CC(C)(C)c1coc(CN[C@H](CCSc2ccccc2)C(=O)[O-])n1 ZINC000904015737 1031604297 /nfs/dbraw/zinc/60/42/97/1031604297.db2.gz VWGKPQPGGWOEJZ-CQSZACIVSA-N -1 0 348.468 3.697 20 0 EHADRM [O-]c1c(F)cccc1-c1nc(CCCOCCc2ccccc2)no1 ZINC000904008774 1031625680 /nfs/dbraw/zinc/62/56/80/1031625680.db2.gz MVTCMPPXMNIXLT-UHFFFAOYSA-N -1 0 342.370 3.773 20 0 EHADRM CC(C)[C@@H]1C[C@@](NCc2cnc(C3CC3)o2)(C(=O)[O-])c2ccccc21 ZINC000904010890 1031628910 /nfs/dbraw/zinc/62/89/10/1031628910.db2.gz ROIVGCWBQNDYOL-JXFKEZNVSA-N -1 0 340.423 3.765 20 0 EHADRM CC[C@H](NCc1ccccc1OC1CCCC1)c1nc(C(=O)[O-])c[nH]1 ZINC000904063695 1031688750 /nfs/dbraw/zinc/68/87/50/1031688750.db2.gz BXYCIXCECLGHSC-HNNXBMFYSA-N -1 0 343.427 3.670 20 0 EHADRM CC[C@H](NCc1cc(F)cc(C(F)(F)F)c1)c1nc(C(=O)[O-])c[nH]1 ZINC000904063659 1031689541 /nfs/dbraw/zinc/68/95/41/1031689541.db2.gz BKIDELJVEUUJOW-NSHDSACASA-N -1 0 345.296 3.507 20 0 EHADRM CC[C@@H](NCc1ccc(C(F)(F)F)cc1C)c1nc(C(=O)[O-])c[nH]1 ZINC000904063656 1031690037 /nfs/dbraw/zinc/69/00/37/1031690037.db2.gz BKCKNGNHQKALKZ-GFCCVEGCSA-N -1 0 341.333 3.676 20 0 EHADRM O=C([O-])[C@H](NCc1oc2ccccc2c1Br)C1CCC1 ZINC000904047664 1031693587 /nfs/dbraw/zinc/69/35/87/1031693587.db2.gz GMBGWNMHUXENQF-CQSZACIVSA-N -1 0 338.201 3.538 20 0 EHADRM Cc1ccc([C@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)C(=O)[O-])cc1 ZINC000431541089 1031711728 /nfs/dbraw/zinc/71/17/28/1031711728.db2.gz ZSMUBKWMUGOTSZ-LULLPPNCSA-N -1 0 343.467 3.886 20 0 EHADRM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000475735713 1031712528 /nfs/dbraw/zinc/71/25/28/1031712528.db2.gz DHMNIOOHHZKRIZ-UHFFFAOYSA-N -1 0 325.380 3.945 20 0 EHADRM Cc1ccc(N[C@@H]2C[C@H](NC(=O)[O-])C23CCC3)cc1OCC(F)F ZINC000904199141 1031844827 /nfs/dbraw/zinc/84/48/27/1031844827.db2.gz GXAPWAOXQLSFCB-KGLIPLIRSA-N -1 0 340.370 3.630 20 0 EHADRM O=C([O-])N[C@@H]1C[C@H](Nc2ccc(N3CCCC3)c(Cl)c2)C12CCC2 ZINC000904200386 1031847196 /nfs/dbraw/zinc/84/71/96/1031847196.db2.gz TWCPBJOWVWNAIJ-JKSUJKDBSA-N -1 0 349.862 3.931 20 0 EHADRM Cc1cc(Br)ccc1NC(=O)c1c(F)ccc(O)c1F ZINC000537732592 1031873460 /nfs/dbraw/zinc/87/34/60/1031873460.db2.gz PVFYQRDUDCXHKG-UHFFFAOYSA-N -1 0 342.139 3.994 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ncoc1[C@@H]1CCCO1 ZINC000159279430 1031993793 /nfs/dbraw/zinc/99/37/93/1031993793.db2.gz FNGOACPSGZFGAV-JTQLQIEISA-N -1 0 343.166 3.791 20 0 EHADRM C[C@H](C(=O)N[C@@](C)(CC(=O)[O-])c1cccc(F)c1)c1cccc(F)c1 ZINC000448996944 1032002046 /nfs/dbraw/zinc/00/20/46/1032002046.db2.gz SLDKXIAGVBRRKU-BUXKBTBVSA-N -1 0 347.361 3.575 20 0 EHADRM CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cccc(C)c1 ZINC000484830462 1032009788 /nfs/dbraw/zinc/00/97/88/1032009788.db2.gz MZOLUTCQXWAIKM-UHFFFAOYSA-N -1 0 347.436 3.689 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1c(N)cc(Br)cc1F ZINC001211624287 1033310729 /nfs/dbraw/zinc/31/07/29/1033310729.db2.gz BFVKFAAHPCDHOU-UHFFFAOYSA-N -1 0 339.164 3.921 20 0 EHADRM O=C(N=c1nc(-c2ccccc2)[n-]s1)c1cc2cccc(F)c2o1 ZINC000607797619 1033327014 /nfs/dbraw/zinc/32/70/14/1033327014.db2.gz QGJMNVYDYXLOHO-UHFFFAOYSA-N -1 0 339.351 3.765 20 0 EHADRM COc1ccc(CN=c2[n-]nc(CC3CCCC3)o2)c2ccccc12 ZINC000537490945 1033377633 /nfs/dbraw/zinc/37/76/33/1033377633.db2.gz UIXKBWLFAPHEMC-UHFFFAOYSA-N -1 0 337.423 3.998 20 0 EHADRM CC[C@H](NC(=O)N=c1nc([C@H](C)OC)[n-]s1)c1cc(C)ccc1C ZINC000529100741 1033397416 /nfs/dbraw/zinc/39/74/16/1033397416.db2.gz DSOLZXADWYCGQS-JSGCOSHPSA-N -1 0 348.472 3.557 20 0 EHADRM C[C@H]1C[C@@H]1c1nc(=O)c2sc(-c3ccc4c(c3)OCO4)cc2[n-]1 ZINC000608102971 1033496556 /nfs/dbraw/zinc/49/65/56/1033496556.db2.gz LTTGILPPCWQAQI-WPRPVWTQSA-N -1 0 326.377 3.504 20 0 EHADRM C[C@H]1CCCN(C(=O)c2cc(Br)c(F)cc2[O-])[C@H]1C ZINC000449984496 1033520042 /nfs/dbraw/zinc/52/00/42/1033520042.db2.gz IHFNJMODNZWCAW-IUCAKERBSA-N -1 0 330.197 3.554 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)C=Cc2ccc(Cl)cc2)c2n[nH]cc21 ZINC000063635576 1033531996 /nfs/dbraw/zinc/53/19/96/1033531996.db2.gz CLBYHFIAFKZUIT-CMDGGOBGSA-N -1 0 347.827 3.937 20 0 EHADRM CC(C)c1n[n-]c(=NCc2cccc(OCc3ccc(F)cc3)c2)o1 ZINC000537507053 1033535057 /nfs/dbraw/zinc/53/50/57/1033535057.db2.gz LWMCKBBFNSQBOD-UHFFFAOYSA-N -1 0 341.386 3.945 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)/C=C/c1cccc(F)c1)C(=O)[O-] ZINC000237488229 1033561103 /nfs/dbraw/zinc/56/11/03/1033561103.db2.gz NLDPAWNYTJBDDZ-NKSUMMKUSA-N -1 0 341.382 3.588 20 0 EHADRM CC(C)c1ccsc1C(=O)N[C@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000455953912 1033598574 /nfs/dbraw/zinc/59/85/74/1033598574.db2.gz SSQSPEIUUMDLOP-CJNGLKHVSA-N -1 0 345.464 3.933 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1ccccc1OC1CCOCC1 ZINC001211626765 1033610548 /nfs/dbraw/zinc/61/05/48/1033610548.db2.gz WHRLIHYSDLCBAZ-UHFFFAOYSA-N -1 0 327.380 3.995 20 0 EHADRM CC1(C)CN(C(=O)c2nn(-c3ccccc3)cc2[O-])[C@H]1c1ccccc1 ZINC000608355157 1033627063 /nfs/dbraw/zinc/62/70/63/1033627063.db2.gz SDBYMPIXXGTMDT-IBGZPJMESA-N -1 0 347.418 3.801 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC[C@H]3C3CC3)n2)cc1 ZINC000608361013 1033634764 /nfs/dbraw/zinc/63/47/64/1033634764.db2.gz AOPQXJCXWUSDQG-KRWDZBQOSA-N -1 0 339.439 3.716 20 0 EHADRM Cc1cc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)ccc1OC(C)C ZINC000608340758 1033645083 /nfs/dbraw/zinc/64/50/83/1033645083.db2.gz VYEZGEQASACWPI-QGZVFWFLSA-N -1 0 341.407 3.979 20 0 EHADRM CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000061110865 1033664161 /nfs/dbraw/zinc/66/41/61/1033664161.db2.gz PTNYRSCDJDQYAH-LBPRGKRZSA-N -1 0 343.445 3.565 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(Cl)cc(C)c2O)c1 ZINC000476373436 1033667853 /nfs/dbraw/zinc/66/78/53/1033667853.db2.gz DJGHLNDJXFBKJA-UHFFFAOYSA-N -1 0 329.780 3.602 20 0 EHADRM O=C(c1nn(-c2ccccc2)cc1[O-])N1CCC(C2CCCC2)CC1 ZINC000608474970 1033702662 /nfs/dbraw/zinc/70/26/62/1033702662.db2.gz CSJBNAHJXGZUSC-UHFFFAOYSA-N -1 0 339.439 3.620 20 0 EHADRM CN(C(=O)c1nn(-c2ccccc2F)cc1[O-])C1CCC(C)(C)CC1 ZINC000450090187 1033722770 /nfs/dbraw/zinc/72/27/70/1033722770.db2.gz UJAJACVVCAFLBG-UHFFFAOYSA-N -1 0 345.418 3.758 20 0 EHADRM CC1CCC(N(C)C(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)CC1 ZINC000063809036 1033736841 /nfs/dbraw/zinc/73/68/41/1033736841.db2.gz OQVBUIQLUGNAKV-UHFFFAOYSA-N -1 0 331.441 3.649 20 0 EHADRM CCc1cc(C(=O)N[C@@H](C)c2ccc(OCC(=O)[O-])cc2)sc1C ZINC000455879603 1033769608 /nfs/dbraw/zinc/76/96/08/1033769608.db2.gz CNGCQVWKVTWQBM-NSHDSACASA-N -1 0 347.436 3.573 20 0 EHADRM O=S(=O)(N[C@@H](c1ccccc1)C(F)F)c1ccc(F)cc1Cl ZINC000431626934 1033802017 /nfs/dbraw/zinc/80/20/17/1033802017.db2.gz YANADMMHCIXPNB-ZDUSSCGKSA-N -1 0 349.761 3.764 20 0 EHADRM C[C@](CC(=O)N[C@@H](c1ccccc1)C1CC1)(C(=O)[O-])c1ccccc1 ZINC000326708357 1033838499 /nfs/dbraw/zinc/83/84/99/1033838499.db2.gz YFTRYINSGQSSTK-PZJWPPBQSA-N -1 0 337.419 3.687 20 0 EHADRM CC(C)(C)C1=CCN(C(=O)c2nn(-c3cccc(F)c3)cc2[O-])CC1 ZINC000550701462 1033878598 /nfs/dbraw/zinc/87/85/98/1033878598.db2.gz OWQURTMVYDYBCZ-UHFFFAOYSA-N -1 0 343.402 3.535 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)N(CC(=O)[O-])CC(C)C)cc1 ZINC000575207306 1033888591 /nfs/dbraw/zinc/88/85/91/1033888591.db2.gz HOMJFYRIUGZQGC-ZDUSSCGKSA-N -1 0 338.473 3.612 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc3cccnc32)cc(C)c1F ZINC000460438556 1033913263 /nfs/dbraw/zinc/91/32/63/1033913263.db2.gz UBPICTKVHCZGMU-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)ccc2O)cc1 ZINC000612042324 1033917551 /nfs/dbraw/zinc/91/75/51/1033917551.db2.gz XEHIUHNGEAFTJD-UHFFFAOYSA-N -1 0 349.452 3.889 20 0 EHADRM Cc1csc(C(C#N)=C([O-])COC(=O)c2sccc2C(C)C)n1 ZINC000064008760 1033946202 /nfs/dbraw/zinc/94/62/02/1033946202.db2.gz QCTUOVSQGVWXAF-LBPRGKRZSA-N -1 0 348.449 3.670 20 0 EHADRM COC(=O)c1ccc(=N[C@H](c2ccc(C(C)C)cc2)C(C)C)[n-]n1 ZINC000603840467 1033952535 /nfs/dbraw/zinc/95/25/35/1033952535.db2.gz GOHQZBJSDLXIJY-SFHVURJKSA-N -1 0 327.428 3.618 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCC(COc2ccccc2)CC1 ZINC000055424074 1033958401 /nfs/dbraw/zinc/95/84/01/1033958401.db2.gz VXRIIVZAYOICOS-UHFFFAOYSA-N -1 0 345.826 3.977 20 0 EHADRM CSCCc1ccc([N-]S(=O)(=O)c2cccc(F)c2F)cc1 ZINC000609016008 1033977567 /nfs/dbraw/zinc/97/75/67/1033977567.db2.gz RGJIGKJSZQTQIE-UHFFFAOYSA-N -1 0 343.420 3.671 20 0 EHADRM O=S(=O)([N-]c1cccc2ncccc12)c1ccc(Cl)cc1F ZINC000119545378 1034208489 /nfs/dbraw/zinc/20/84/89/1034208489.db2.gz KSRVTMKOHZZTTM-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM CCc1ccc(S(=O)(=O)Nc2ccc(-c3cnco3)cc2)cc1 ZINC000119780957 1034243183 /nfs/dbraw/zinc/24/31/83/1034243183.db2.gz OYZRAZRUDPSTBS-UHFFFAOYSA-N -1 0 328.393 3.705 20 0 EHADRM Cn1c2ccc(Br)cc2nc1-c1ccc(C(=O)[O-])cc1 ZINC000057998341 1034278652 /nfs/dbraw/zinc/27/86/52/1034278652.db2.gz DJSBVMBYGRFSLP-UHFFFAOYSA-N -1 0 331.169 3.701 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)c3ccc(F)cc3)s2)c1 ZINC000604264516 1034308852 /nfs/dbraw/zinc/30/88/52/1034308852.db2.gz LJJCOLGOWXLSNE-UHFFFAOYSA-N -1 0 327.384 3.635 20 0 EHADRM CCCOc1cccc(C(=O)N=c2nc(-c3ccsc3)[n-]s2)c1 ZINC000596904449 1034446337 /nfs/dbraw/zinc/44/63/37/1034446337.db2.gz BRVKVNUHYIEAGQ-UHFFFAOYSA-N -1 0 345.449 3.730 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)C1(c2cccc(F)c2)CCCCC1 ZINC000604708924 1034461942 /nfs/dbraw/zinc/46/19/42/1034461942.db2.gz UINBAEDULDSFIP-UHFFFAOYSA-N -1 0 339.414 3.756 20 0 EHADRM CC(C)(C(=O)N=c1ccc(C2CC2)n[n-]1)c1cccc(C(F)(F)F)c1 ZINC000604708413 1034462062 /nfs/dbraw/zinc/46/20/62/1034462062.db2.gz FSOJVUIHLPBYSC-UHFFFAOYSA-N -1 0 349.356 3.711 20 0 EHADRM Cc1cccc2c(=O)[nH]c(C(Cl)=Cc3ccc(C(=O)[O-])cc3)nc12 ZINC000229888329 1034472966 /nfs/dbraw/zinc/47/29/66/1034472966.db2.gz DIZFMFTVSVXAGD-NTEUORMPSA-N -1 0 340.766 3.667 20 0 EHADRM O=c1cc(-c2noc([C@H]3CC[C@@H]3c3ccc(Cl)cc3F)n2)nc[nH]1 ZINC000647418397 1034486023 /nfs/dbraw/zinc/48/60/23/1034486023.db2.gz ZJWJEFAVRSZQKG-KOLCDFICSA-N -1 0 346.749 3.686 20 0 EHADRM O=S(=O)([N-]c1cc(O)cc(F)c1)c1cc(Cl)sc1Cl ZINC000161304534 1034494441 /nfs/dbraw/zinc/49/44/41/1034494441.db2.gz DLBOXKKYTVBFSU-UHFFFAOYSA-N -1 0 342.200 3.700 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)NCC2(c3ccccc3)CCC2)s[n-]1 ZINC000604801949 1034511790 /nfs/dbraw/zinc/51/17/90/1034511790.db2.gz VUNKAGFQHTZNGQ-UHFFFAOYSA-N -1 0 344.484 3.501 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1O)c1ccccc1F ZINC000511325619 1034527509 /nfs/dbraw/zinc/52/75/09/1034527509.db2.gz QDTMRTAZJDHLPK-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2nnc(C(C)C)s2)cc1CC ZINC000534497133 1034608404 /nfs/dbraw/zinc/60/84/04/1034608404.db2.gz VBHGJVNXUDGGIB-UHFFFAOYSA-N -1 0 339.486 3.587 20 0 EHADRM Cc1ccc(-c2n[n-]c(=NCc3cc(F)c(F)c(F)c3)o2)c(C)c1 ZINC000569733733 1034622678 /nfs/dbraw/zinc/62/26/78/1034622678.db2.gz WBBNMQRKFAAVLV-UHFFFAOYSA-N -1 0 333.313 3.805 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)c2cc3c(s2)CCC3)c1 ZINC000060497600 1034628122 /nfs/dbraw/zinc/62/81/22/1034628122.db2.gz ZVHISGJIXQBQNI-UHFFFAOYSA-N -1 0 335.450 3.547 20 0 EHADRM Cc1cc(CN(Cc2cccc(F)c2)C[C@H]2CCCO2)oc1C(=O)[O-] ZINC000569732008 1034632226 /nfs/dbraw/zinc/63/22/26/1034632226.db2.gz DJKBAYCMVQPMIM-MRXNPFEDSA-N -1 0 347.386 3.607 20 0 EHADRM CC(C)(c1ccccc1)C1(NC(=O)c2s[n-]c(=O)c2Cl)CC1 ZINC000456820157 1034751396 /nfs/dbraw/zinc/75/13/96/1034751396.db2.gz WTPYBYPUYZGVCM-UHFFFAOYSA-N -1 0 336.844 3.742 20 0 EHADRM O=C([O-])[C@H](CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)Cc1ccccc1 ZINC000431646220 1034771270 /nfs/dbraw/zinc/77/12/70/1034771270.db2.gz VLZARGSKJUVZPU-MANSERQUSA-N -1 0 343.467 3.653 20 0 EHADRM COC(=O)c1cccc(-c2csc(-c3cccc(C(=O)[O-])c3)n2)c1 ZINC000534688120 1034800282 /nfs/dbraw/zinc/80/02/82/1034800282.db2.gz QRRQUKHJOZFGLJ-UHFFFAOYSA-N -1 0 339.372 3.962 20 0 EHADRM O=C([O-])c1cc2cc(-c3cccc(CO[C@H]4CCOC4)c3)sc2[nH]1 ZINC000515072788 1034838477 /nfs/dbraw/zinc/83/84/77/1034838477.db2.gz JSHSMSHJPSNFLB-AWEZNQCLSA-N -1 0 343.404 3.900 20 0 EHADRM Cc1ccc(-c2ccncc2)cc1NC(=O)[C@H](C)S[C@H](C)C(=O)[O-] ZINC000601980996 1034846574 /nfs/dbraw/zinc/84/65/74/1034846574.db2.gz DFQHHISNJYTRGI-QWHCGFSZSA-N -1 0 344.436 3.590 20 0 EHADRM CC(C)(c1n[n-]c(=NC(=O)N[C@H]2CC=CCC2)s1)c1ccccc1 ZINC000605923745 1034846825 /nfs/dbraw/zinc/84/68/25/1034846825.db2.gz LMODVLPBLPTYTF-AWEZNQCLSA-N -1 0 342.468 3.516 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-] ZINC000601987754 1034848343 /nfs/dbraw/zinc/84/83/43/1034848343.db2.gz SKHUEVNCMTUURV-UWVGGRQHSA-N -1 0 345.848 3.662 20 0 EHADRM C[C@H](c1ccc(Cl)cc1Cl)N(C)Cc1cnc(C(=O)[O-])cn1 ZINC000530163408 1035033319 /nfs/dbraw/zinc/03/33/19/1035033319.db2.gz XSJIOGUXXHRMLP-SECBINFHSA-N -1 0 340.210 3.675 20 0 EHADRM O=S(=O)([N-]c1ccccc1OCC1CC1)c1sccc1Cl ZINC000451015899 1035034745 /nfs/dbraw/zinc/03/47/45/1035034745.db2.gz MGBSSEBIUGPUQG-UHFFFAOYSA-N -1 0 343.857 3.991 20 0 EHADRM Brc1ccsc1CN=c1[n-]nc(C2CCCCC2)o1 ZINC000360551873 1035075331 /nfs/dbraw/zinc/07/53/31/1035075331.db2.gz MTSVVYPHJISVLA-UHFFFAOYSA-N -1 0 342.262 3.975 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCC[C@@H]1c1cc[nH]n1 ZINC000376014000 1035117867 /nfs/dbraw/zinc/11/78/67/1035117867.db2.gz QYVYVPJJHCXZLR-MRXNPFEDSA-N -1 0 341.798 3.899 20 0 EHADRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2cncc(F)c2)c1 ZINC000570650606 1035395344 /nfs/dbraw/zinc/39/53/44/1035395344.db2.gz RFDGHKPGUMRDOA-UHFFFAOYSA-N -1 0 328.796 3.627 20 0 EHADRM CO[C@@H](C)c1nc(=Nc2ccc3nc(C4CC4)sc3c2)s[n-]1 ZINC000549001967 1035439134 /nfs/dbraw/zinc/43/91/34/1035439134.db2.gz QJZXQDRHMAIYIB-QMMMGPOBSA-N -1 0 332.454 3.898 20 0 EHADRM FC(F)(F)c1n[n-]c(=NCc2ccc(Cl)c(Cl)c2)s1 ZINC000540699162 1035600034 /nfs/dbraw/zinc/60/00/34/1035600034.db2.gz MXJXPPAFPCSADW-UHFFFAOYSA-N -1 0 328.146 3.898 20 0 EHADRM Cc1ccccc1CNC(=O)C[C@](C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000414129485 1035663121 /nfs/dbraw/zinc/66/31/21/1035663121.db2.gz UXKCJYPDWUPPIR-IBGZPJMESA-N -1 0 345.826 3.697 20 0 EHADRM CCCCCc1n[n-]c(=NCc2cn3cc(Cl)ccc3n2)s1 ZINC000540807921 1035700976 /nfs/dbraw/zinc/70/09/76/1035700976.db2.gz ZZOZRDLAOJLLJC-UHFFFAOYSA-N -1 0 335.864 3.606 20 0 EHADRM CCC1(C)CN(C(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)C1 ZINC000463670758 1035727443 /nfs/dbraw/zinc/72/74/43/1035727443.db2.gz SXJBUMMXTVMMLI-UHFFFAOYSA-N -1 0 336.848 3.544 20 0 EHADRM Cc1cccc(CN=c2[n-]nc(CC3CCCC3)o2)c1OC(F)F ZINC000540858016 1035740852 /nfs/dbraw/zinc/74/08/52/1035740852.db2.gz NQUBTXGAPRNPIF-UHFFFAOYSA-N -1 0 337.370 3.746 20 0 EHADRM Clc1ccc2nc(CN=c3[n-]nc(-c4ccccc4)s3)cn2c1 ZINC000613402737 1035747379 /nfs/dbraw/zinc/74/73/79/1035747379.db2.gz IYAWFCXVXUVJRJ-UHFFFAOYSA-N -1 0 341.827 3.540 20 0 EHADRM Cc1cc(F)cc(C(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)c1 ZINC000463755083 1035792297 /nfs/dbraw/zinc/79/22/97/1035792297.db2.gz KJVFNGNNNWKXOA-UHFFFAOYSA-N -1 0 347.802 3.980 20 0 EHADRM CCC(CC)CC(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000151510015 1035804015 /nfs/dbraw/zinc/80/40/15/1035804015.db2.gz UBMRRXRNUKRWLE-UHFFFAOYSA-N -1 0 338.256 3.625 20 0 EHADRM Cc1cc(C(=O)CCC(=O)Nc2ccc(F)c(F)c2[O-])c(C)s1 ZINC000457292043 1035922949 /nfs/dbraw/zinc/92/29/49/1035922949.db2.gz LFYYGVCLMASXTA-UHFFFAOYSA-N -1 0 339.363 3.950 20 0 EHADRM O=C(CO[C@@H]1CCCc2ccccc21)Nc1ccc(F)c(F)c1[O-] ZINC000457303166 1035961916 /nfs/dbraw/zinc/96/19/16/1035961916.db2.gz XRIMLZLFOMZMQW-OAHLLOKOSA-N -1 0 333.334 3.703 20 0 EHADRM Cn1cncc1CCC(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000189377025 1036061737 /nfs/dbraw/zinc/06/17/37/1036061737.db2.gz QBOFGNBJHQMPBK-UHFFFAOYSA-N -1 0 348.617 3.657 20 0 EHADRM Cc1oc([N-]S(=O)(=O)c2cccc3c(C)ccnc32)nc1C1CC1 ZINC000572472471 1036129397 /nfs/dbraw/zinc/12/93/97/1036129397.db2.gz NSYUQALUZGKTHI-UHFFFAOYSA-N -1 0 343.408 3.518 20 0 EHADRM CC(C)c1ccc(-c2nc(-c3ccc(-n4ccnc4)nc3)no2)c(O)c1 ZINC000761478896 1036192861 /nfs/dbraw/zinc/19/28/61/1036192861.db2.gz XXDHAAUQSKRXEH-UHFFFAOYSA-N -1 0 347.378 3.813 20 0 EHADRM CCCc1nc(=NC(=O)c2ccc(OC(C)C)cc2Cl)s[n-]1 ZINC000457521873 1036246412 /nfs/dbraw/zinc/24/64/12/1036246412.db2.gz LWGUDHLSAMCBBD-UHFFFAOYSA-N -1 0 339.848 3.605 20 0 EHADRM CN(C[C@@H]1CCCOC1)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000175225174 1036265430 /nfs/dbraw/zinc/26/54/30/1036265430.db2.gz PRXVHABVHWKISV-LBPRGKRZSA-N -1 0 333.815 3.697 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccccc2C)n(-c2ccccc2C)n1 ZINC000589264665 1036326139 /nfs/dbraw/zinc/32/61/39/1036326139.db2.gz WMIGIAKRETVRGI-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccccc2)n(-c2cccc(Cl)c2)n1 ZINC000589264248 1036326599 /nfs/dbraw/zinc/32/65/99/1036326599.db2.gz ZFACGPYIMRRJON-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM Cc1ccc2c(ccc(C)c2C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])c1 ZINC000909669181 1036339644 /nfs/dbraw/zinc/33/96/44/1036339644.db2.gz POLXOPNPEQMRAV-ZDUSSCGKSA-N -1 0 339.313 3.592 20 0 EHADRM Cc1cc(Cl)ccc1CN=c1[n-]nc(Cc2ccc(F)cc2)o1 ZINC000464338865 1036343214 /nfs/dbraw/zinc/34/32/14/1036343214.db2.gz QMIBWMYZSNHXHX-UHFFFAOYSA-N -1 0 331.778 3.795 20 0 EHADRM CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000589437224 1036414157 /nfs/dbraw/zinc/41/41/57/1036414157.db2.gz BTCGJUHTCWKCLV-UHFFFAOYSA-N -1 0 345.342 3.692 20 0 EHADRM CCc1ccc(-c2nn(-c3ccccc3)cc2CN=c2[n-]nco2)cc1 ZINC000472575891 1036458646 /nfs/dbraw/zinc/45/86/46/1036458646.db2.gz WWWYLELJRUHBIV-UHFFFAOYSA-N -1 0 345.406 3.519 20 0 EHADRM C/C=C\C[C@@H](NC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1)C(=O)[O-] ZINC000572702900 1036462164 /nfs/dbraw/zinc/46/21/64/1036462164.db2.gz DZDOXSLDTWNEDU-FOQNGQEVSA-N -1 0 345.399 3.666 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)N[C@H]1CCC(C)(C)c2ccccc21)C1CCC1 ZINC000572821296 1036507666 /nfs/dbraw/zinc/50/76/66/1036507666.db2.gz VBAAMXKXCPESCN-GUYCJALGSA-N -1 0 344.455 3.836 20 0 EHADRM COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000685902761 1036515686 /nfs/dbraw/zinc/51/56/86/1036515686.db2.gz PRZPILCFDIQWAL-UHFFFAOYSA-N -1 0 345.342 3.530 20 0 EHADRM O=S(=O)([N-]c1cccc2c1OCCC2)c1ccc(F)cc1Cl ZINC000464552626 1036548739 /nfs/dbraw/zinc/54/87/39/1036548739.db2.gz QVQKCEKKJULYHY-UHFFFAOYSA-N -1 0 341.791 3.605 20 0 EHADRM O=C(Cc1ccc2c(c1)COC2)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000541708175 1036585468 /nfs/dbraw/zinc/58/54/68/1036585468.db2.gz VKUGNJLHEBFZLH-UHFFFAOYSA-N -1 0 338.190 3.910 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(-c2ccoc2)c1 ZINC000249318652 1036591556 /nfs/dbraw/zinc/59/15/56/1036591556.db2.gz QEHCXBKOKJHWAN-WBAXXEDZSA-N -1 0 339.391 3.805 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263169530 1036602603 /nfs/dbraw/zinc/60/26/03/1036602603.db2.gz RVOKGNGXDIQAJR-UWVGGRQHSA-N -1 0 342.848 3.636 20 0 EHADRM CCC[C@@H]1CCCCN1C(=O)c1cccc(Br)c1[O-] ZINC000541739144 1036606137 /nfs/dbraw/zinc/60/61/37/1036606137.db2.gz DXEPRTWNBXLCQY-LLVKDONJSA-N -1 0 326.234 3.950 20 0 EHADRM CCC(CC)N(CCOC)C(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001625960473 1036614817 /nfs/dbraw/zinc/61/48/17/1036614817.db2.gz SDTJKLNTXCRDRW-UHFFFAOYSA-N -1 0 334.243 3.976 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(Cc2csc(-c3cccs3)n2)C1 ZINC000263215485 1036638362 /nfs/dbraw/zinc/63/83/62/1036638362.db2.gz ZVESWVRWRWNLOV-LBPRGKRZSA-N -1 0 336.482 3.948 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)C2CC(c3cccc(F)c3)C2)s[n-]1 ZINC000589935827 1036666764 /nfs/dbraw/zinc/66/67/64/1036666764.db2.gz MKFZBKFGRINTRX-UHFFFAOYSA-N -1 0 333.432 3.529 20 0 EHADRM CC(C)COc1cccc(C(=O)N=c2nc(C(C)(C)C)[n-]s2)c1 ZINC000589936835 1036666952 /nfs/dbraw/zinc/66/69/52/1036666952.db2.gz ZTIJCUAZIAIAEX-UHFFFAOYSA-N -1 0 333.457 3.545 20 0 EHADRM CC(C)c1n[n-]c(=NCc2ccc(OCC(F)(F)F)c(F)c2)s1 ZINC000541825831 1036679926 /nfs/dbraw/zinc/67/99/26/1036679926.db2.gz CSHYQEYDVIFHKU-UHFFFAOYSA-N -1 0 349.353 3.776 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000263242718 1036694706 /nfs/dbraw/zinc/69/47/06/1036694706.db2.gz GTIUURQBPYCVIC-UHFFFAOYSA-N -1 0 338.407 3.894 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000321421532 1036738920 /nfs/dbraw/zinc/73/89/20/1036738920.db2.gz ZYVJKNRUBAEGRC-NEPJUHHUSA-N -1 0 347.358 3.672 20 0 EHADRM Cc1nc2cc([N-]S(=O)(=O)c3cccc(C)c3Cl)ccc2n1C ZINC000539474139 1036789817 /nfs/dbraw/zinc/78/98/17/1036789817.db2.gz NMSWFWASBJEFCI-UHFFFAOYSA-N -1 0 349.843 3.644 20 0 EHADRM CCCc1nc(C)c(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)s1 ZINC000263334995 1036794363 /nfs/dbraw/zinc/79/43/63/1036794363.db2.gz QSAFJYZQAAYUDH-SNVBAGLBSA-N -1 0 332.425 3.844 20 0 EHADRM Cc1cccc(O[C@H](C)C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c1 ZINC000263361480 1036820022 /nfs/dbraw/zinc/82/00/22/1036820022.db2.gz YOMHETADCIPJHL-ZIAGYGMSSA-N -1 0 327.380 3.589 20 0 EHADRM CCC(CC)(C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000263410796 1036878576 /nfs/dbraw/zinc/87/85/76/1036878576.db2.gz GZMFIXKPJBAFCS-NEPJUHHUSA-N -1 0 325.836 3.623 20 0 EHADRM O=S(=O)([N-]c1nc2c(s1)CCCC2)c1ccc(F)c(Cl)c1 ZINC000006368776 1036885061 /nfs/dbraw/zinc/88/50/61/1036885061.db2.gz DAPMWHQCKYLTSC-UHFFFAOYSA-N -1 0 346.836 3.615 20 0 EHADRM Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000666367336 1036928607 /nfs/dbraw/zinc/92/86/07/1036928607.db2.gz LJORKOPDPDRCGJ-LLVKDONJSA-N -1 0 343.427 3.695 20 0 EHADRM CCOC(=O)C[C@@H]1CCCN(Cc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC001140835478 1036929153 /nfs/dbraw/zinc/92/91/53/1036929153.db2.gz WJEAXUMRLGCWIM-NSHDSACASA-N -1 0 346.254 3.864 20 0 EHADRM Cc1cccc(Oc2ccccc2NC(=O)N(C)C[C@@H](C)C(=O)[O-])c1 ZINC000263451062 1036938702 /nfs/dbraw/zinc/93/87/02/1036938702.db2.gz AORFAMGQUCSIRR-CQSZACIVSA-N -1 0 342.395 3.972 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nc3c(ccc(F)c3C)s2)s1 ZINC000464897501 1036966359 /nfs/dbraw/zinc/96/63/59/1036966359.db2.gz WHSDTDFLQFHUTH-UHFFFAOYSA-N -1 0 342.442 3.915 20 0 EHADRM Cc1cc(C(=O)N[C@H](CC(=O)[O-])C2CCCCC2)c2ccccc2n1 ZINC000539605492 1036966440 /nfs/dbraw/zinc/96/64/40/1036966440.db2.gz XHUNIFNLGUOSTH-GOSISDBHSA-N -1 0 340.423 3.697 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc2ccccc2c1)C1CCCCC1 ZINC000539605393 1036968091 /nfs/dbraw/zinc/96/80/91/1036968091.db2.gz VFWCWKSJQPKXJA-GOSISDBHSA-N -1 0 325.408 3.993 20 0 EHADRM CCCC[C@H](C)N(C)C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263495735 1036981801 /nfs/dbraw/zinc/98/18/01/1036981801.db2.gz SSPZCALAFMFXNL-DOTOQJQBSA-N -1 0 334.460 3.683 20 0 EHADRM CCOc1ccc(CCC(=O)N[C@H](CC(=O)[O-])C2CCCCC2)cc1 ZINC000539617054 1036985480 /nfs/dbraw/zinc/98/54/80/1036985480.db2.gz XOYKSRPFLIINPC-GOSISDBHSA-N -1 0 347.455 3.558 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@]2(C(=O)[O-])CC=CCC2)C1 ZINC000653282590 1037021406 /nfs/dbraw/zinc/02/14/06/1037021406.db2.gz CGMGZJSOPBDGHW-YRNRMSPPSA-N -1 0 327.424 3.511 20 0 EHADRM O=S(=O)([N-]c1cccc2oc(C(F)(F)F)nc21)c1cccs1 ZINC000178332076 1037026027 /nfs/dbraw/zinc/02/60/27/1037026027.db2.gz MKJVVEYATRGAKU-UHFFFAOYSA-N -1 0 348.327 3.709 20 0 EHADRM O=C([O-])C1CCC(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000263526561 1037040564 /nfs/dbraw/zinc/04/05/64/1037040564.db2.gz KEISTTKIXXSCLD-DUBPFDJUSA-N -1 0 341.451 3.672 20 0 EHADRM CC(C)(CC(=O)NCC1(CC(=O)[O-])CCCCC1)c1ccccc1 ZINC000539676153 1037055942 /nfs/dbraw/zinc/05/59/42/1037055942.db2.gz IZADUCYPJWVYKB-UHFFFAOYSA-N -1 0 331.456 3.896 20 0 EHADRM CC(C)C[C@@H]1CCN(C(=O)N=c2nc(-c3ccccc3)[n-]s2)C1 ZINC000465066428 1037101929 /nfs/dbraw/zinc/10/19/29/1037101929.db2.gz QXKFMVCEUWDLEW-ZDUSSCGKSA-N -1 0 330.457 3.527 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000590949275 1037137001 /nfs/dbraw/zinc/13/70/01/1037137001.db2.gz SUTICSUXRATSOT-VBNZEHGJSA-N -1 0 333.453 3.643 20 0 EHADRM C[C@]1(Cc2ccccc2)CCCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000263581100 1037171722 /nfs/dbraw/zinc/17/17/22/1037171722.db2.gz WSMBWYNQNDOOTG-GOSISDBHSA-N -1 0 329.421 3.684 20 0 EHADRM C[C@@H]1CCC[C@H](NC(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)C1 ZINC000666518441 1037172625 /nfs/dbraw/zinc/17/26/25/1037172625.db2.gz ZZDDRYOVIUZHKG-ZBFHGGJFSA-N -1 0 344.455 3.853 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1cc(Cl)ccc1OCC1CCC1 ZINC000263583321 1037175831 /nfs/dbraw/zinc/17/58/31/1037175831.db2.gz ZURYFLKHXGFCJX-CHWSQXEVSA-N -1 0 337.803 3.568 20 0 EHADRM Cc1nc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3F)ccc2o1 ZINC000008110152 1037183663 /nfs/dbraw/zinc/18/36/63/1037183663.db2.gz SLYAAGRYOZXBPB-UHFFFAOYSA-N -1 0 340.763 3.730 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C=Cc2ccc(Cl)nc2)c1 ZINC000493301892 1037207546 /nfs/dbraw/zinc/20/75/46/1037207546.db2.gz KSBQDXZIMCDCKQ-XBXARRHUSA-N -1 0 330.771 3.685 20 0 EHADRM C[C@H]1CCCC[C@@H]1CC(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1 ZINC000653674861 1037245195 /nfs/dbraw/zinc/24/51/95/1037245195.db2.gz QINAXHLAIXQVQY-RANZSIQMSA-N -1 0 329.440 3.530 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)c1cccc(-c2ccccc2OCC)c1 ZINC000089288062 1037255150 /nfs/dbraw/zinc/25/51/50/1037255150.db2.gz AKTMFEALGMPFCF-UHFFFAOYSA-N -1 0 345.420 3.573 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000089288153 1037257894 /nfs/dbraw/zinc/25/78/94/1037257894.db2.gz XCOHLMMZJMDXND-SNVBAGLBSA-N -1 0 335.347 3.671 20 0 EHADRM O=C([O-])CCN(CC1CC1)C(=O)c1cc2cc(Cl)ccc2s1 ZINC000659124228 1037326871 /nfs/dbraw/zinc/32/68/71/1037326871.db2.gz LRXRBTSGAWZZHQ-UHFFFAOYSA-N -1 0 337.828 3.882 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)[C@H]1CCCO1 ZINC000659129743 1037332564 /nfs/dbraw/zinc/33/25/64/1037332564.db2.gz ACGFJYSFSPTZAI-GXFFZTMASA-N -1 0 333.409 3.743 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)C2(C(F)(F)F)CCCCC2)c1 ZINC000659129843 1037332833 /nfs/dbraw/zinc/33/28/33/1037332833.db2.gz DIQXOULCQLIZSX-UHFFFAOYSA-N -1 0 329.318 3.514 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)C1CC2(C1)CCCCC2)Cc1cccc(F)c1 ZINC000659135084 1037344534 /nfs/dbraw/zinc/34/45/34/1037344534.db2.gz KLUHSZCFJUESGB-OAHLLOKOSA-N -1 0 347.430 3.546 20 0 EHADRM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc(Cl)cc2ccccc21 ZINC000659152000 1037374865 /nfs/dbraw/zinc/37/48/65/1037374865.db2.gz NKILNKPKBKMDSL-NUTKFTJISA-N -1 0 343.810 3.819 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC000659147774 1037381542 /nfs/dbraw/zinc/38/15/42/1037381542.db2.gz NIXLXOWWUJNLGX-VHSXEESVSA-N -1 0 331.343 3.573 20 0 EHADRM C[C@H](CC(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1)[C@H]1CCCO1 ZINC000659158468 1037383292 /nfs/dbraw/zinc/38/32/92/1037383292.db2.gz DPEDWDMJAUIFKS-HYVNUMGLSA-N -1 0 339.476 3.512 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)N2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)CC1 ZINC000659165498 1037399039 /nfs/dbraw/zinc/39/90/39/1037399039.db2.gz NTCHAJXSBWFYOI-SYQHCUMBSA-N -1 0 349.393 3.560 20 0 EHADRM C[C@@H](NC(=O)c1cc(F)c([O-])c(F)c1)c1nc(C(C)(C)C)cs1 ZINC000177152070 1037400183 /nfs/dbraw/zinc/40/01/83/1037400183.db2.gz VJKYRGOJWDZWJH-MRVPVSSYSA-N -1 0 340.395 3.915 20 0 EHADRM CCCc1nc(=NC(=O)N2CC(C)(C)[C@@H]2c2cccs2)s[n-]1 ZINC000573290493 1037423176 /nfs/dbraw/zinc/42/31/76/1037423176.db2.gz ALRMAVBRBMLYQY-LBPRGKRZSA-N -1 0 336.486 3.589 20 0 EHADRM Fc1ccc(OCCCN=c2nc(-c3ccccc3)[n-]s2)cc1 ZINC000462803765 1037423521 /nfs/dbraw/zinc/42/35/21/1037423521.db2.gz CGWRCVOMIXPFJW-UHFFFAOYSA-N -1 0 329.400 3.647 20 0 EHADRM C/C=C/C=C\C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000491369809 1037426041 /nfs/dbraw/zinc/42/60/41/1037426041.db2.gz XAJVCASVNGZGDM-CVBFYWNISA-N -1 0 342.420 3.558 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)C(C)(C)c2ccccc2C)n1 ZINC000659185583 1037428942 /nfs/dbraw/zinc/42/89/42/1037428942.db2.gz BMTORVYAEMTDEP-HNNXBMFYSA-N -1 0 343.427 3.534 20 0 EHADRM CC[C@H]1c2ccsc2CCN1C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000573252606 1037432067 /nfs/dbraw/zinc/43/20/67/1037432067.db2.gz BAYBABGAMLCAHN-PIMMBPRGSA-N -1 0 335.469 3.865 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2cc(C)n(C(C)C)c2C)n1 ZINC000659186053 1037440120 /nfs/dbraw/zinc/44/01/20/1037440120.db2.gz ULHHXABNVKNNEL-HNNXBMFYSA-N -1 0 346.431 3.560 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N2CC[C@@H](C3CCCCC3)C2)cc1 ZINC000659189582 1037443567 /nfs/dbraw/zinc/44/35/67/1037443567.db2.gz OFLAVZRLVNBGLC-GOSISDBHSA-N -1 0 329.440 3.746 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)[C@@H](c2ccccc2)C(C)C)n1 ZINC000659189371 1037443798 /nfs/dbraw/zinc/44/37/98/1037443798.db2.gz YWAIDBONCYYYGP-DOTOQJQBSA-N -1 0 343.427 3.687 20 0 EHADRM CC(C)C(=O)Nc1cccc(NC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000029800756 1037451012 /nfs/dbraw/zinc/45/10/12/1037451012.db2.gz NICISGUGHXKNPK-UHFFFAOYSA-N -1 0 332.787 3.892 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc3ccccc3c2)[C@H]2CCCC[C@@H]12 ZINC000659196809 1037454107 /nfs/dbraw/zinc/45/41/07/1037454107.db2.gz XYEMLEFAUMHPMM-OTWHNJEPSA-N -1 0 337.419 3.945 20 0 EHADRM COc1cc(CCN=c2nc(-c3ccccc3)[n-]s2)ccc1C ZINC000462870198 1037494933 /nfs/dbraw/zinc/49/49/33/1037494933.db2.gz ZDUJNYOPXBJSKM-UHFFFAOYSA-N -1 0 325.437 3.599 20 0 EHADRM C[C@](CCF)(NC(=O)CC1CCC(c2ccccc2)CC1)C(=O)[O-] ZINC000659215083 1037498378 /nfs/dbraw/zinc/49/83/78/1037498378.db2.gz KXFKNWAXCAEXPQ-GSQSYGFSSA-N -1 0 335.419 3.670 20 0 EHADRM Cc1ccc(-n2[n-]nnc2=N[C@H](C)c2ccccc2C(F)(F)F)cc1 ZINC000462891793 1037517626 /nfs/dbraw/zinc/51/76/26/1037517626.db2.gz TYVGVQNCDWVCDA-GFCCVEGCSA-N -1 0 347.344 3.585 20 0 EHADRM C[C@@H](N=c1[n-]nc(-c2ccccn2)s1)c1ccccc1OC(F)F ZINC000546898850 1037519681 /nfs/dbraw/zinc/51/96/81/1037519681.db2.gz ILAPMJBTCPBJFR-SNVBAGLBSA-N -1 0 348.378 3.797 20 0 EHADRM C[C@@H](CCc1cccn1C)N=c1[n-]c(-c2cccc(Cl)c2)no1 ZINC000462903911 1037533682 /nfs/dbraw/zinc/53/36/82/1037533682.db2.gz TVZWMVTTXRQLJA-LBPRGKRZSA-N -1 0 330.819 3.584 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)c2ccc(C(F)F)cc2)s1 ZINC000588016305 1037550243 /nfs/dbraw/zinc/55/02/43/1037550243.db2.gz ZPYWQEHERABUGD-UHFFFAOYSA-N -1 0 325.384 3.883 20 0 EHADRM CN(C(=O)CCCc1csc2ccccc12)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659230324 1037553980 /nfs/dbraw/zinc/55/39/80/1037553980.db2.gz HKOSIVPMSXEMIF-OKILXGFUSA-N -1 0 331.437 3.546 20 0 EHADRM CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000591683358 1037556427 /nfs/dbraw/zinc/55/64/27/1037556427.db2.gz AJMSMBHMXFZFGL-UHFFFAOYSA-N -1 0 335.425 3.512 20 0 EHADRM CC(C)(C(=O)N[C@H]1CCC[C@]1(C)C(=O)[O-])c1ccc(Cl)cc1F ZINC000659240472 1037564440 /nfs/dbraw/zinc/56/44/40/1037564440.db2.gz BLSHALPKHWIEKF-GUYCJALGSA-N -1 0 341.810 3.516 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)N[C@@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000659241835 1037566952 /nfs/dbraw/zinc/56/69/52/1037566952.db2.gz XYQRAVZHUAINEW-CZUORRHYSA-N -1 0 341.860 3.825 20 0 EHADRM COCc1cc(NC(=O)/C=C\SCc2ccco2)cc(C(=O)[O-])c1 ZINC000493742652 1037592836 /nfs/dbraw/zinc/59/28/36/1037592836.db2.gz TWTZQLWUAIAGRU-XQRVVYSFSA-N -1 0 347.392 3.510 20 0 EHADRM CCc1c([N-]S(=O)(=O)c2cccc(C)c2)cnn1CCC(C)C ZINC000491853918 1037720409 /nfs/dbraw/zinc/72/04/09/1037720409.db2.gz ROWYHTDDIIFQJQ-UHFFFAOYSA-N -1 0 335.473 3.601 20 0 EHADRM Cc1ccc(-c2noc(C(=O)[N-]c3c(F)cccc3F)n2)c(F)c1 ZINC001212170474 1037762925 /nfs/dbraw/zinc/76/29/25/1037762925.db2.gz BVIRWWLBKCOEIO-UHFFFAOYSA-N -1 0 333.269 3.715 20 0 EHADRM O=C(NN=c1ncc(F)c[n-]1)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000157597178 1037764468 /nfs/dbraw/zinc/76/44/68/1037764468.db2.gz HSTYFPQJXBEAJU-UHFFFAOYSA-N -1 0 348.809 3.614 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000669434087 1037813110 /nfs/dbraw/zinc/81/31/10/1037813110.db2.gz INTKJBYTPWZQIN-RBSFLKMASA-N -1 0 341.432 3.765 20 0 EHADRM CCC[C@@]1(C)CCCN(C(=O)CSc2n[n-]c(=S)s2)C1 ZINC000176492045 1037821271 /nfs/dbraw/zinc/82/12/71/1037821271.db2.gz BBJVMZHGYQQEQJ-ZDUSSCGKSA-N -1 0 331.532 3.722 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCc2cc(Cl)cs2)c2ccccc21 ZINC000669434965 1037848778 /nfs/dbraw/zinc/84/87/78/1037848778.db2.gz OKMMPPPWKSDLAZ-CQSZACIVSA-N -1 0 349.839 3.939 20 0 EHADRM O=C([O-])C1(CNC(=O)CC2(CCc3ccccc3)CCCC2)CCC1 ZINC000532612109 1037917671 /nfs/dbraw/zinc/91/76/71/1037917671.db2.gz SOIJCKZZTGMYET-UHFFFAOYSA-N -1 0 343.467 3.941 20 0 EHADRM O=C([O-])CCOc1cccc(/C=C/C(=O)c2ccc(F)cc2F)c1 ZINC000058464687 1037938501 /nfs/dbraw/zinc/93/85/01/1037938501.db2.gz VJSBJTTUDPWRIJ-QPJJXVBHSA-N -1 0 332.302 3.714 20 0 EHADRM O=C(NCCCc1ccc(Cl)cc1)c1cc(F)c(F)c([O-])c1F ZINC000183528449 1037952405 /nfs/dbraw/zinc/95/24/05/1037952405.db2.gz BGYLMGFZDXQULY-UHFFFAOYSA-N -1 0 343.732 3.826 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)[nH]n2)c1Cl ZINC000540498843 1038020220 /nfs/dbraw/zinc/02/02/20/1038020220.db2.gz PMCDELQVDPMLTE-UHFFFAOYSA-N -1 0 347.827 3.839 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccccc2-c2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000327682708 1038039677 /nfs/dbraw/zinc/03/96/77/1038039677.db2.gz OEHKGASHYUKAQS-ZBFHGGJFSA-N -1 0 338.407 3.928 20 0 EHADRM CC[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)CC1 ZINC000783083719 1038040762 /nfs/dbraw/zinc/04/07/62/1038040762.db2.gz MSNFGKNSNREOEC-KOMQPUFPSA-N -1 0 347.480 3.636 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(C(=O)/C=C\c1cccc3ccccc13)CC2 ZINC000492154693 1038057946 /nfs/dbraw/zinc/05/79/46/1038057946.db2.gz KEQFTBYULDPFJY-GIFJBRJJSA-N -1 0 335.403 3.566 20 0 EHADRM COc1ccc(/C=C\C(=O)Nc2ccccc2CC(=O)[O-])cc1Cl ZINC000492198307 1038091459 /nfs/dbraw/zinc/09/14/59/1038091459.db2.gz LOPXKTDOPCBTGT-CLFYSBASSA-N -1 0 345.782 3.628 20 0 EHADRM Cc1cc(C(=O)N=c2[n-]nc(Cc3ccc(F)cc3)s2)sc1C ZINC000592675854 1038092014 /nfs/dbraw/zinc/09/20/14/1038092014.db2.gz UBLMGZPKLUXIEK-UHFFFAOYSA-N -1 0 347.440 3.621 20 0 EHADRM O=C(Nc1cc(Br)c(F)cc1F)c1ccccc1O ZINC000228197689 1038222911 /nfs/dbraw/zinc/22/29/11/1038222911.db2.gz ZYGWMBNXOUHCEH-UHFFFAOYSA-N -1 0 328.112 3.685 20 0 EHADRM C[C@H](C1CCC1)N(C)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000416189870 1038295235 /nfs/dbraw/zinc/29/52/35/1038295235.db2.gz LNNNPCQAYYBKKA-MRVPVSSYSA-N -1 0 330.197 3.554 20 0 EHADRM O=C(c1c(O)cnc2ccc(Cl)cc21)N1CCc2cc(F)ccc21 ZINC000549407200 1038296456 /nfs/dbraw/zinc/29/64/56/1038296456.db2.gz DWXXDXUVXMQUTQ-UHFFFAOYSA-N -1 0 342.757 3.936 20 0 EHADRM CCOc1ccc(CN=c2[n-]nc(Cc3ccc(F)cc3)s2)cc1 ZINC000538507085 1038347228 /nfs/dbraw/zinc/34/72/28/1038347228.db2.gz DXHPEBRVJVMRRR-UHFFFAOYSA-N -1 0 343.427 3.701 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000538579469 1038401896 /nfs/dbraw/zinc/40/18/96/1038401896.db2.gz ZSBPCVYMECQHDC-AWEZNQCLSA-N -1 0 335.419 3.546 20 0 EHADRM O=C(/C=C/c1cncs1)c1cc(Br)cc(F)c1[O-] ZINC000181483271 1038423365 /nfs/dbraw/zinc/42/33/65/1038423365.db2.gz PDPINIIRTILTPL-OWOJBTEDSA-N -1 0 328.162 3.646 20 0 EHADRM CCCCc1n[n-]c(=NCc2nc3ccccc3n2CCC)s1 ZINC000538607899 1038433048 /nfs/dbraw/zinc/43/30/48/1038433048.db2.gz AFDSLLAPHNPBLP-UHFFFAOYSA-N -1 0 329.473 3.674 20 0 EHADRM O=S(=O)(Nc1cc(F)cc(Cl)c1)c1ccc2c(c1)CCCO2 ZINC000538940329 1038605987 /nfs/dbraw/zinc/60/59/87/1038605987.db2.gz ITBYLEQFQGWIDX-UHFFFAOYSA-N -1 0 341.791 3.605 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000431868675 1038620761 /nfs/dbraw/zinc/62/07/61/1038620761.db2.gz OFEMPPPWVROYDU-HNNXBMFYSA-N -1 0 335.469 3.709 20 0 EHADRM CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)c1cc(C(=O)[O-])ccn1 ZINC000416419444 1038649038 /nfs/dbraw/zinc/64/90/38/1038649038.db2.gz SOORIXKJRJWIRZ-INIZCTEOSA-N -1 0 346.814 3.903 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1ccc(C(F)F)cc1)C1CCCCC1 ZINC000910235036 1038778088 /nfs/dbraw/zinc/77/80/88/1038778088.db2.gz BDMYUAHDPZUAFT-AWEZNQCLSA-N -1 0 325.355 3.635 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)s1 ZINC000910240426 1038785187 /nfs/dbraw/zinc/78/51/87/1038785187.db2.gz PUUAJNWZTVCAGM-RWMBFGLXSA-N -1 0 335.469 3.761 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cnc(-c2ccccc2)nc1 ZINC000554031776 1038834492 /nfs/dbraw/zinc/83/44/92/1038834492.db2.gz LZBJNVYKHXFEGX-UHFFFAOYSA-N -1 0 343.745 3.894 20 0 EHADRM C[C@@H](Nc1cc(C2CC2)nc(C2CC2)n1)c1ncc(C(=O)[O-])s1 ZINC000910320827 1038845470 /nfs/dbraw/zinc/84/54/70/1038845470.db2.gz YVBQPDYJILVROQ-MRVPVSSYSA-N -1 0 330.413 3.559 20 0 EHADRM Cc1nc(N[C@H](C)c2ccc(C(F)(F)F)nc2)ccc1C(=O)[O-] ZINC000910327437 1038850153 /nfs/dbraw/zinc/85/01/53/1038850153.db2.gz JIHASUZUUQYAKT-MRVPVSSYSA-N -1 0 325.290 3.675 20 0 EHADRM C[C@@H](C(=O)N1CC[C@]2(C(=O)[O-])CCC[C@H]12)c1ccc2ccccc2c1 ZINC000910398382 1038879181 /nfs/dbraw/zinc/87/91/81/1038879181.db2.gz PSJUAYBBEBGFFA-YMTYPPQLSA-N -1 0 337.419 3.799 20 0 EHADRM C/C=C(/C=C\C(=O)N1CCC(c2nc(C)c(C(=O)[O-])s2)CC1)CC ZINC000910356291 1038879854 /nfs/dbraw/zinc/87/98/54/1038879854.db2.gz FMYXEEKTHABPPX-UCPAGOOESA-N -1 0 348.468 3.768 20 0 EHADRM CC(C)c1scnc1[N-]S(=O)(=O)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000641688124 1038887524 /nfs/dbraw/zinc/88/75/24/1038887524.db2.gz XHXNDXDFIOTUBA-CHWSQXEVSA-N -1 0 340.445 3.703 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1[nH]c2ccccc2c1Cl)C1CCCC1 ZINC000910567726 1038968742 /nfs/dbraw/zinc/96/87/42/1038968742.db2.gz MEAJOOQHUMVRSX-CYBMUJFWSA-N -1 0 334.803 3.585 20 0 EHADRM COc1cc(C)c([C@@H](C)/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1OC ZINC000044009689 1038972124 /nfs/dbraw/zinc/97/21/24/1038972124.db2.gz SNSARWIOMNSNOH-AINDZBIGSA-N -1 0 344.367 3.806 20 0 EHADRM Cc1n[nH]c(C)c1[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000124578020 1038976148 /nfs/dbraw/zinc/97/61/48/1038976148.db2.gz VLVKIWFBMLYOPK-UHFFFAOYSA-N -1 0 333.457 3.875 20 0 EHADRM Cc1ccccc1C1(C(=O)Nc2nc(CCC(=O)[O-])cs2)CCC1 ZINC000910645756 1038989214 /nfs/dbraw/zinc/98/92/14/1038989214.db2.gz JRAJUKOQHUYBCE-UHFFFAOYSA-N -1 0 344.436 3.529 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)CCO2)c1ccc(Cl)cc1Cl ZINC000485390911 1038994806 /nfs/dbraw/zinc/99/48/06/1038994806.db2.gz OPYHKPUDGLLQRN-UHFFFAOYSA-N -1 0 344.219 3.729 20 0 EHADRM CC(C)CCn1ncc(NC(=O)C2(C(=O)[O-])CCCC2)c1C(C)C ZINC000910656315 1039006376 /nfs/dbraw/zinc/00/63/76/1039006376.db2.gz MELKCDBGUSWCRS-UHFFFAOYSA-N -1 0 335.448 3.636 20 0 EHADRM CCC1(CC)CCN(C(=O)N=c2[n-]nc(-c3ccccc3)s2)C1 ZINC000479999473 1039020857 /nfs/dbraw/zinc/02/08/57/1039020857.db2.gz ZRQHFWTYQCQAPA-UHFFFAOYSA-N -1 0 330.457 3.671 20 0 EHADRM Cc1cccc(C)c1OCC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000031947985 1039026339 /nfs/dbraw/zinc/02/63/39/1039026339.db2.gz DEOSYWAKJXXTKH-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM CCc1csc([C@H](C)NC(=O)c2ccc3oc(=S)[n-]c3c2)n1 ZINC000910739994 1039048317 /nfs/dbraw/zinc/04/83/17/1039048317.db2.gz FOKXALSSDBBHDM-QMMMGPOBSA-N -1 0 333.438 3.626 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1ccccc1OCC(F)F ZINC000488279345 1039057331 /nfs/dbraw/zinc/05/73/31/1039057331.db2.gz CDZXBMKCMBOJBR-UHFFFAOYSA-N -1 0 341.379 3.694 20 0 EHADRM Cc1ccc(NC(=O)C(C)(C)C)cc1NCc1ccc(C(=O)[O-])cn1 ZINC000905724951 1039061319 /nfs/dbraw/zinc/06/13/19/1039061319.db2.gz QRWMUVUEZGVBCN-UHFFFAOYSA-N -1 0 341.411 3.685 20 0 EHADRM Cc1sc(NC(=O)[C@@H](C)c2ccc(Cl)s2)nc1C(=O)[O-] ZINC000910780648 1039088902 /nfs/dbraw/zinc/08/89/02/1039088902.db2.gz JAKQNUQMSHHPHE-YFKPBYRVSA-N -1 0 330.818 3.607 20 0 EHADRM O=C([O-])CC1CC(NC(=O)CCCc2ccc(Cl)c(Cl)c2)C1 ZINC000910814127 1039091049 /nfs/dbraw/zinc/09/10/49/1039091049.db2.gz YHZNDZKKZWQUMC-UHFFFAOYSA-N -1 0 344.238 3.686 20 0 EHADRM CC(C)(CNC(=O)c1sccc1-c1ccc(F)cc1)CC(=O)[O-] ZINC000910822199 1039096872 /nfs/dbraw/zinc/09/68/72/1039096872.db2.gz PKEHMMGZPKFUTF-UHFFFAOYSA-N -1 0 335.400 3.785 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1cnccc1Oc1ccccc1 ZINC000910802088 1039099343 /nfs/dbraw/zinc/09/93/43/1039099343.db2.gz RTHMJRFOIQNQEV-LSDHHAIUSA-N -1 0 340.379 3.703 20 0 EHADRM C[C@@H](CC(=O)N(CCC(=O)[O-])C1CC1)c1cccc(C(F)(F)F)c1 ZINC000237305914 1039138427 /nfs/dbraw/zinc/13/84/27/1039138427.db2.gz SWDCQYCZASLSED-NSHDSACASA-N -1 0 343.345 3.665 20 0 EHADRM CSc1ccc(NC(=O)c2cc(C(C)(C)C)on2)cc1C(=O)[O-] ZINC000910948840 1039153011 /nfs/dbraw/zinc/15/30/11/1039153011.db2.gz BJBWOKHZKVXFEW-UHFFFAOYSA-N -1 0 334.397 3.645 20 0 EHADRM FC(F)(F)c1n[n-]c(=NCCc2csc3ccccc23)s1 ZINC000480105341 1039159447 /nfs/dbraw/zinc/15/94/47/1039159447.db2.gz MVKWHPAERBLFDT-UHFFFAOYSA-N -1 0 329.372 3.848 20 0 EHADRM CC(C)(C)OCc1ccccc1NC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000910944102 1039167642 /nfs/dbraw/zinc/16/76/42/1039167642.db2.gz KTZJWUXWQBMCJA-HJWRWDBZSA-N -1 0 343.379 3.945 20 0 EHADRM CC(C)(C)OCc1ccccc1NC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000910944068 1039167989 /nfs/dbraw/zinc/16/79/89/1039167989.db2.gz KJPHXHMJNQVZLT-UHFFFAOYSA-N -1 0 341.407 3.881 20 0 EHADRM CCC(CC)n1ccc(C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)n1 ZINC000910947897 1039169889 /nfs/dbraw/zinc/16/98/89/1039169889.db2.gz QWQAUGDWHUPBGB-UHFFFAOYSA-N -1 0 347.440 3.917 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)N(CC)c1cccc(C(=O)[O-])c1 ZINC000910968360 1039171682 /nfs/dbraw/zinc/17/16/82/1039171682.db2.gz VMTKDKGDTKAKPQ-UHFFFAOYSA-N -1 0 343.427 3.918 20 0 EHADRM CCN(C(=O)[C@H]1CCCc2c(O)cccc21)c1cccc(C(=O)[O-])c1 ZINC000910968690 1039172847 /nfs/dbraw/zinc/17/28/47/1039172847.db2.gz XLOACQQYLOJNQT-KRWDZBQOSA-N -1 0 339.391 3.563 20 0 EHADRM Cc1c(C(=O)Nc2cc(F)cc(F)c2O)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000910980571 1039176471 /nfs/dbraw/zinc/17/64/71/1039176471.db2.gz WCOVFCQVABOZGF-UHFFFAOYSA-N -1 0 348.349 3.714 20 0 EHADRM Cc1c(Cl)cccc1C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)CC1 ZINC000911021444 1039190035 /nfs/dbraw/zinc/19/00/35/1039190035.db2.gz QAXFDQHDTUFEIC-UHFFFAOYSA-N -1 0 349.736 3.518 20 0 EHADRM CCN(C(=O)N=c1[n-]nc(/C=C\c2ccco2)s1)C1CC(C)(C)C1 ZINC000416960756 1039259824 /nfs/dbraw/zinc/25/98/24/1039259824.db2.gz WIHJYKRWZQKEIA-FPLPWBNLSA-N -1 0 346.456 3.766 20 0 EHADRM Cc1cc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)ccc1N1CCCC1 ZINC000911214109 1039288182 /nfs/dbraw/zinc/28/81/82/1039288182.db2.gz SPLOZQPEKJFKPW-UHFFFAOYSA-N -1 0 342.439 3.569 20 0 EHADRM CCCCn1ncc([N-]S(=O)(=O)c2ccc(F)cc2)c1C(C)C ZINC000480234621 1039335995 /nfs/dbraw/zinc/33/59/95/1039335995.db2.gz WVLRWGHCGHHAIJ-UHFFFAOYSA-N -1 0 339.436 3.747 20 0 EHADRM CC(C)N(C)c1cccc(NC(=O)CC2CCC(C(=O)[O-])CC2)c1 ZINC000911367658 1039342264 /nfs/dbraw/zinc/34/22/64/1039342264.db2.gz BIYMFRIGVSEGBP-UHFFFAOYSA-N -1 0 332.444 3.751 20 0 EHADRM C[C@@H](NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)c1cccc2ccccc21 ZINC000144711592 1039421141 /nfs/dbraw/zinc/42/11/41/1039421141.db2.gz QFSABRPQBJZFLE-MLGOLLRUSA-N -1 0 328.412 3.699 20 0 EHADRM CC(C)n1cc(-c2ccc(OC[C@@H]3CCCCO3)cc2)c(C(=O)[O-])n1 ZINC000906241842 1039427743 /nfs/dbraw/zinc/42/77/43/1039427743.db2.gz XDQDAOBHNLFWPW-INIZCTEOSA-N -1 0 344.411 3.777 20 0 EHADRM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1cc(C(=O)[O-])c(C)cc1F ZINC000911682247 1039457874 /nfs/dbraw/zinc/45/78/74/1039457874.db2.gz XCBKUWINRVKPJS-RYUDHWBXSA-N -1 0 333.384 3.944 20 0 EHADRM CC(C)(C)CC(=O)N[N-]C(=O)c1sc2cc(F)ccc2c1Cl ZINC000030888682 1039459839 /nfs/dbraw/zinc/45/98/39/1039459839.db2.gz COHOUTTVWOJXDD-UHFFFAOYSA-N -1 0 342.823 3.891 20 0 EHADRM Cc1cc(F)c(NC(=O)[C@@H]2CCOC3(CCCC3)C2)cc1C(=O)[O-] ZINC000911688754 1039462643 /nfs/dbraw/zinc/46/26/43/1039462643.db2.gz MMFPTNLQXRMZRU-GFCCVEGCSA-N -1 0 335.375 3.510 20 0 EHADRM C/C=C\c1ccc([N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc1 ZINC000584676620 1039464733 /nfs/dbraw/zinc/46/47/33/1039464733.db2.gz OGSUHZVFKMSKRH-IHWYPQMZSA-N -1 0 342.342 3.934 20 0 EHADRM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(SCc2ccccc2)cc1 ZINC000238083213 1039486576 /nfs/dbraw/zinc/48/65/76/1039486576.db2.gz YUVVZSTVVURDAT-QGZVFWFLSA-N -1 0 341.432 3.668 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000238099612 1039490587 /nfs/dbraw/zinc/49/05/87/1039490587.db2.gz HYOKJNNKYAARGS-LSDHHAIUSA-N -1 0 339.382 3.610 20 0 EHADRM FC(F)(F)c1n[n-]c(=NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000480396141 1039502953 /nfs/dbraw/zinc/50/29/53/1039502953.db2.gz OVCFSACUAWQXRR-RNFRBKRXSA-N -1 0 333.301 3.759 20 0 EHADRM CCC[C@](C)(NC(=O)N[C@@H](C)c1cc2ccccc2s1)C(=O)[O-] ZINC000554603038 1039516362 /nfs/dbraw/zinc/51/63/62/1039516362.db2.gz GDZZUNJFDVVRNS-GTNSWQLSSA-N -1 0 334.441 3.905 20 0 EHADRM Cc1cc(Nc2nc(F)ccc2Br)ccc1C(=O)[O-] ZINC001211653010 1039517967 /nfs/dbraw/zinc/51/79/67/1039517967.db2.gz WMUMPXADFWMJOU-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM CC(C)(C)OC(=O)N=c1[nH]cc(C(=O)NC2(C)CCCC2)s1 ZINC000906414138 1039548653 /nfs/dbraw/zinc/54/86/53/1039548653.db2.gz FKFHFVCGNTWVSI-UHFFFAOYSA-N -1 0 325.434 3.553 20 0 EHADRM COC[C@@H](N=c1nc(C(C)(C)C)[n-]s1)c1cccc(Cl)c1 ZINC000554691292 1039613839 /nfs/dbraw/zinc/61/38/39/1039613839.db2.gz DNLZIYYUXPBEOL-GFCCVEGCSA-N -1 0 325.865 3.711 20 0 EHADRM Cc1ccc2c(C(=O)N=c3cc(C(F)(F)F)[n-][nH]3)csc2c1 ZINC000480504728 1039616440 /nfs/dbraw/zinc/61/64/40/1039616440.db2.gz WZUYRODTKBKKDY-UHFFFAOYSA-N -1 0 325.315 3.626 20 0 EHADRM CC(C)CC(=O)Nc1ccc(N=c2nc(C(F)(F)F)[n-]s2)cc1 ZINC000552906118 1039622980 /nfs/dbraw/zinc/62/29/80/1039622980.db2.gz MQVZTBDRDLIGBA-UHFFFAOYSA-N -1 0 344.362 3.707 20 0 EHADRM CCC(C)(C)CCS(=O)(=O)[N-]C(=O)c1cscc1C(F)F ZINC000893299359 1039637906 /nfs/dbraw/zinc/63/79/06/1039637906.db2.gz AKQYQAJINYKPDJ-UHFFFAOYSA-N -1 0 339.429 3.572 20 0 EHADRM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cccc(Cl)c2)n[nH]1 ZINC000485881717 1039644533 /nfs/dbraw/zinc/64/45/33/1039644533.db2.gz JKGMXVUTUMQWQG-UHFFFAOYSA-N -1 0 347.827 3.839 20 0 EHADRM CC[C@@H]1[C@H](C)CCN1C(=O)N=c1[n-]nc(Cc2ccc(C)cc2)s1 ZINC000480550399 1039674267 /nfs/dbraw/zinc/67/42/67/1039674267.db2.gz DZLGYYKKNSBZEH-UKRRQHHQSA-N -1 0 344.484 3.512 20 0 EHADRM CC[C@H](C(=O)[O-])[S@](=O)Cc1nc(-c2ccccc2Cl)cs1 ZINC000570375562 1039718193 /nfs/dbraw/zinc/71/81/93/1039718193.db2.gz AEVPWRDWRVVKAK-XUSGNXJCSA-N -1 0 343.857 3.575 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)C(=O)c1csc(-c2ccc(C(C)C)cc2)n1 ZINC000653343225 1039718174 /nfs/dbraw/zinc/71/81/74/1039718174.db2.gz QRTUGJHDSRBHED-OAHLLOKOSA-N -1 0 346.452 3.869 20 0 EHADRM CCc1cccc2c(CCN=c3nc(C(F)(F)F)[n-]s3)c[nH]c21 ZINC000553058696 1039739683 /nfs/dbraw/zinc/73/96/83/1039739683.db2.gz KDAWHFBPQZNPIF-UHFFFAOYSA-N -1 0 340.374 3.677 20 0 EHADRM CCCOc1ccc(CN=c2[n-]c(Cc3ccc(F)cc3)no2)cc1 ZINC000554815380 1039754861 /nfs/dbraw/zinc/75/48/61/1039754861.db2.gz UGSHOZJXEREYPV-UHFFFAOYSA-N -1 0 341.386 3.622 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C)s1 ZINC000047982710 1039764631 /nfs/dbraw/zinc/76/46/31/1039764631.db2.gz QAIHFQGQSFMEPY-UHFFFAOYSA-N -1 0 336.482 3.766 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000486021988 1039793997 /nfs/dbraw/zinc/79/39/97/1039793997.db2.gz XBHYJCYFNGFNNV-QGZVFWFLSA-N -1 0 349.386 3.874 20 0 EHADRM O=C([O-])c1ccc2nc(/C=C\c3ccnn3-c3ccccc3)oc2c1 ZINC000486101899 1039861080 /nfs/dbraw/zinc/86/10/80/1039861080.db2.gz KISXVNIIYXJCKR-CLFYSBASSA-N -1 0 331.331 3.882 20 0 EHADRM Cc1cccc(Oc2ccccc2C(=O)N=c2nc3ccccn3[n-]2)c1 ZINC000554887309 1039885694 /nfs/dbraw/zinc/88/56/94/1039885694.db2.gz CVJAOZIENZHOLY-UHFFFAOYSA-N -1 0 344.374 3.504 20 0 EHADRM CC(C)=CCCNS(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000480699913 1039923895 /nfs/dbraw/zinc/92/38/95/1039923895.db2.gz PORSTKBSDHDZOY-UHFFFAOYSA-N -1 0 341.782 3.993 20 0 EHADRM COC(=O)c1ccc(Cl)c(/C=C/c2nc(C(=O)[O-])c(C)s2)c1 ZINC000486150262 1039928272 /nfs/dbraw/zinc/92/82/72/1039928272.db2.gz XRTSFUHKTYOPGA-GQCTYLIASA-N -1 0 337.784 3.760 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N[C@@H](C)c2ccccc2Cl)s1 ZINC000553311796 1039975318 /nfs/dbraw/zinc/97/53/18/1039975318.db2.gz MQLZALDIFKXPCQ-QMMMGPOBSA-N -1 0 342.877 3.608 20 0 EHADRM C[C@H]1Cc2ccccc2N(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000110325754 1039986725 /nfs/dbraw/zinc/98/67/25/1039986725.db2.gz WFGWFPXNXMNGIN-NSHDSACASA-N -1 0 346.224 3.994 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000164050751 1040002390 /nfs/dbraw/zinc/00/23/90/1040002390.db2.gz OCGNFBJCQSWIOI-OAHLLOKOSA-N -1 0 330.815 3.762 20 0 EHADRM O=C([O-])[C@H](NCc1csc(C2CC2)n1)c1ccc(Cl)c(F)c1 ZINC000417566318 1040017687 /nfs/dbraw/zinc/01/76/87/1040017687.db2.gz RDKLELPMXKAPGE-CYBMUJFWSA-N -1 0 340.807 3.729 20 0 EHADRM O=C([O-])C[C@H](NCc1csc(C2CC2)n1)c1cccc(Cl)c1 ZINC000417579425 1040027728 /nfs/dbraw/zinc/02/77/28/1040027728.db2.gz CNGBNZCYQPDIPX-AWEZNQCLSA-N -1 0 336.844 3.980 20 0 EHADRM C[C@@H](OC(C)(C)C)[C@H](NCc1ccc(-c2ccccc2)o1)C(=O)[O-] ZINC000417582604 1040029453 /nfs/dbraw/zinc/02/94/53/1040029453.db2.gz IUFIBDWBHQSFIQ-DYVFJYSZSA-N -1 0 331.412 3.693 20 0 EHADRM COc1cc(C(=O)[O-])cc(NCc2ncc(C(C)C)s2)c1OC ZINC000417585860 1040034819 /nfs/dbraw/zinc/03/48/19/1040034819.db2.gz MJCWLMUXCQEARN-UHFFFAOYSA-N -1 0 336.413 3.594 20 0 EHADRM COc1cccc(Cl)c1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000486282917 1040036978 /nfs/dbraw/zinc/03/69/78/1040036978.db2.gz LGQKDZHLWDXATJ-UHFFFAOYSA-N -1 0 347.798 3.963 20 0 EHADRM COc1ccc([C@@H](C)CCN=c2[n-]c(C(F)(F)F)ns2)cc1 ZINC000553416383 1040039079 /nfs/dbraw/zinc/03/90/79/1040039079.db2.gz HVCLPNZHXMXZJA-VIFPVBQESA-N -1 0 331.363 3.593 20 0 EHADRM O=C([O-])CC[C@H]([NH2+]Cc1cnc(C(F)(F)F)s1)c1ccccc1 ZINC000417604042 1040051623 /nfs/dbraw/zinc/05/16/23/1040051623.db2.gz SZBVCEIHSAZSEJ-LBPRGKRZSA-N -1 0 344.358 3.858 20 0 EHADRM COCCOc1cccc(CNc2ccc([C@@H](C)CC(=O)[O-])cc2)c1 ZINC000417614864 1040083445 /nfs/dbraw/zinc/08/34/45/1040083445.db2.gz WBYXQPRFHKULCH-HNNXBMFYSA-N -1 0 343.423 3.902 20 0 EHADRM C[C@H]1[C@H](C(=O)[O-])CCN1c1nc2ccccc2c(-c2ccccc2)n1 ZINC000575320499 1040123254 /nfs/dbraw/zinc/12/32/54/1040123254.db2.gz WQEDLMAJXWXPIC-DZGCQCFKSA-N -1 0 333.391 3.596 20 0 EHADRM O=S(=O)([N-]c1ccnc(-c2ccccc2)c1)c1cccc(F)c1F ZINC000479315819 1040132420 /nfs/dbraw/zinc/13/24/20/1040132420.db2.gz PVZWHVQRUZQJJO-UHFFFAOYSA-N -1 0 346.358 3.828 20 0 EHADRM CCC(C)(C)c1ccccc1C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000907705174 1040136604 /nfs/dbraw/zinc/13/66/04/1040136604.db2.gz USQORSJGEMPGSI-UHFFFAOYSA-N -1 0 343.427 3.643 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2ccccc2C2(C)CC2)n1 ZINC000907705680 1040136823 /nfs/dbraw/zinc/13/68/23/1040136823.db2.gz YUXSJSSFQUWWCY-HNNXBMFYSA-N -1 0 341.411 3.613 20 0 EHADRM O=C([O-])CSc1cccc(-c2cccc(CO[C@@H]3CCOC3)c2)c1 ZINC000575331336 1040140944 /nfs/dbraw/zinc/14/09/44/1040140944.db2.gz SNKNVOSXWVTPIT-QGZVFWFLSA-N -1 0 344.432 3.836 20 0 EHADRM O=C([O-])CSc1cccc(-c2cccc(CO[C@H]3CCOC3)c2)c1 ZINC000575331335 1040142536 /nfs/dbraw/zinc/14/25/36/1040142536.db2.gz SNKNVOSXWVTPIT-KRWDZBQOSA-N -1 0 344.432 3.836 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC[C@@H]2CCCN(c3ccccc3)C2)s1 ZINC000432926340 1040193889 /nfs/dbraw/zinc/19/38/89/1040193889.db2.gz FRBSNUXPKIKVNI-AWEZNQCLSA-N -1 0 330.501 3.586 20 0 EHADRM CC[C@H](c1ccccc1)N(CC)C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000667482929 1040209309 /nfs/dbraw/zinc/20/93/09/1040209309.db2.gz SPGCLXZUSVZUMH-CQSZACIVSA-N -1 0 325.368 3.542 20 0 EHADRM CC1(C)CCN(C(=O)c2ccoc2CC(=O)[O-])C[C@H]1c1ccccc1 ZINC000907871624 1040221768 /nfs/dbraw/zinc/22/17/68/1040221768.db2.gz PHIQCGOEBPKJSH-INIZCTEOSA-N -1 0 341.407 3.563 20 0 EHADRM Cc1ccc(C[C@H](C)N=c2[n-]nc(C3CCOCC3)s2)c(C)c1 ZINC000555138520 1040222332 /nfs/dbraw/zinc/22/23/32/1040222332.db2.gz ULMWYWYPQHBJAY-AWEZNQCLSA-N -1 0 331.485 3.514 20 0 EHADRM CC(C)c1ccc(S(=O)(=O)[N-]c2nc3cc(F)ccc3[nH]2)cc1 ZINC000486548644 1040223994 /nfs/dbraw/zinc/22/39/94/1040223994.db2.gz KCCQRJNSGIZMQR-UHFFFAOYSA-N -1 0 333.388 3.626 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3cccc4ccccc43)[C@@H]2C1 ZINC000907941671 1040236387 /nfs/dbraw/zinc/23/63/87/1040236387.db2.gz UBYBUAVNQBHMRR-BQLFOJHWSA-N -1 0 349.430 3.559 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@H]23)cc1 ZINC000907940658 1040236877 /nfs/dbraw/zinc/23/68/77/1040236877.db2.gz KDMZPQZJBWUROX-XUNPXCOKSA-N -1 0 341.451 3.829 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)n2)cc1C(C)C ZINC000432950097 1040241780 /nfs/dbraw/zinc/24/17/80/1040241780.db2.gz RIJJTHSQRFKCKE-UHFFFAOYSA-N -1 0 348.468 3.940 20 0 EHADRM O=C([O-])c1cccc2c1CCN2C(=O)C1CCC(C(F)(F)F)CC1 ZINC000907981180 1040256925 /nfs/dbraw/zinc/25/69/25/1040256925.db2.gz CROAFLMSRWQUSI-UHFFFAOYSA-N -1 0 341.329 3.643 20 0 EHADRM CN(C(=O)C[C@@H]1C[C@H]1Cc1ccccc1)c1cccc(CC(=O)[O-])c1 ZINC000908088189 1040283582 /nfs/dbraw/zinc/28/35/82/1040283582.db2.gz GXFBYHKPRVUTKP-MSOLQXFVSA-N -1 0 337.419 3.545 20 0 EHADRM O=C(Nc1cc(C2CC2)ccn1)c1cccc(Br)c1[O-] ZINC000555208043 1040291153 /nfs/dbraw/zinc/29/11/53/1040291153.db2.gz AZZLFBKAHUTCQT-UHFFFAOYSA-N -1 0 333.185 3.679 20 0 EHADRM O=C(COC/C=C/c1ccccc1)Nc1cc(Cl)c([O-])cc1F ZINC000553699438 1040325045 /nfs/dbraw/zinc/32/50/45/1040325045.db2.gz RDRGGPDAKKSJMV-QPJJXVBHSA-N -1 0 335.762 3.853 20 0 EHADRM CC(C)(C)CC(C)(C)C(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC000908179900 1040328783 /nfs/dbraw/zinc/32/87/83/1040328783.db2.gz KUBAIJNMSDDBSE-YNAXMUEKSA-N -1 0 341.517 3.694 20 0 EHADRM O=C([O-])CC1(CC(=O)N2CCC(C(F)(F)F)CC2)CCCCC1 ZINC000322229466 1040344992 /nfs/dbraw/zinc/34/49/92/1040344992.db2.gz ZGZTXLUEXHRGRM-UHFFFAOYSA-N -1 0 335.366 3.603 20 0 EHADRM CCn1cc(/C=C(/CCCC(=O)[O-])c2nc3ccccc3s2)nn1 ZINC000899344687 1040345127 /nfs/dbraw/zinc/34/51/27/1040345127.db2.gz VUAUGHMDDYZEFF-BENRWUELSA-N -1 0 342.424 3.703 20 0 EHADRM O=c1c(C(F)(F)F)c(C2CC2)[n-]n1-c1ncc(Cl)cc1Cl ZINC000899346516 1040351380 /nfs/dbraw/zinc/35/13/80/1040351380.db2.gz ORGIDMKJQXEAKR-QMMMGPOBSA-N -1 0 338.116 3.680 20 0 EHADRM CC(C)(COCC(F)F)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000468988953 1040352348 /nfs/dbraw/zinc/35/23/48/1040352348.db2.gz NDYGHPRYXUXMDS-UHFFFAOYSA-N -1 0 342.169 3.945 20 0 EHADRM O=c1c(C(F)(F)F)c(C2CC2)[n-]n1Cc1cnc2ccccc2c1 ZINC000899353467 1040360309 /nfs/dbraw/zinc/36/03/09/1040360309.db2.gz OGTLCXIXNUKCNC-CQSZACIVSA-N -1 0 333.313 3.522 20 0 EHADRM O=c1c(C(F)(F)F)c(C2CC2)[n-]n1[C@H]1CCc2c1cccc2F ZINC000899356298 1040365450 /nfs/dbraw/zinc/36/54/50/1040365450.db2.gz JICMYVUYHFATTN-QWHCGFSZSA-N -1 0 326.293 3.600 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)Nc2ccc(C(=O)[O-])cc2F)o1 ZINC000479563852 1040387469 /nfs/dbraw/zinc/38/74/69/1040387469.db2.gz CBJBSBZRDRLAPY-LPTSXCQYSA-N -1 0 343.354 3.983 20 0 EHADRM Fc1cc(Cl)cc(CN=c2[n-]nc(Cc3ccccc3F)o2)c1 ZINC000486731725 1040393421 /nfs/dbraw/zinc/39/34/21/1040393421.db2.gz AFKJKPJHBAFFTP-UHFFFAOYSA-N -1 0 335.741 3.626 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)CCCc2ccc(F)cc2)CCC1 ZINC000908339111 1040400237 /nfs/dbraw/zinc/40/02/37/1040400237.db2.gz XVXKTSSFQYIFLR-UHFFFAOYSA-N -1 0 335.419 3.690 20 0 EHADRM O=C([O-])c1cc(F)c(F)cc1C(=O)N1CCC[C@H]1c1ccsc1 ZINC000321062975 1040406784 /nfs/dbraw/zinc/40/67/84/1040406784.db2.gz JFTMQGOMSFQKLE-AWEZNQCLSA-N -1 0 337.347 3.702 20 0 EHADRM O=C(Cc1c[nH]c2ccc(F)cc12)Nc1ccc2[n-]c(=S)oc2c1 ZINC000158407507 1040413020 /nfs/dbraw/zinc/41/30/20/1040413020.db2.gz KZCLYIPVNHKIQZ-UHFFFAOYSA-N -1 0 341.367 3.918 20 0 EHADRM O=S(=O)([N-]C/C=C\c1ccccc1)c1c(Cl)ccc(F)c1F ZINC000553830417 1040508628 /nfs/dbraw/zinc/50/86/28/1040508628.db2.gz QHZSXSLIBQGRBG-DAXSKMNVSA-N -1 0 343.782 3.610 20 0 EHADRM CCC(CC)(NC(=O)Nc1cccc(COC(C)(C)C)c1)C(=O)[O-] ZINC000908634402 1040542107 /nfs/dbraw/zinc/54/21/07/1040542107.db2.gz IKFMDFJJBVKRTB-UHFFFAOYSA-N -1 0 336.432 3.767 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)nn1[C@H](C)C1CC1 ZINC000908687887 1040574148 /nfs/dbraw/zinc/57/41/48/1040574148.db2.gz PKDBJNJHMKKNSL-SNVBAGLBSA-N -1 0 347.802 3.766 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-]C2(C(F)(F)F)CCCCC2)cc1C ZINC000558140816 1040606521 /nfs/dbraw/zinc/60/65/21/1040606521.db2.gz OCEMMOVNGFIVCN-UHFFFAOYSA-N -1 0 349.418 3.988 20 0 EHADRM O=C(Nc1cccc2c1OCCC2)c1ccc(Br)c([O-])c1 ZINC000490581947 1040627977 /nfs/dbraw/zinc/62/79/77/1040627977.db2.gz BSLWXQJOOVJRBO-UHFFFAOYSA-N -1 0 348.196 3.732 20 0 EHADRM Cc1cccc(C)c1CCNC(=O)CC1(CC(=O)[O-])CCCCC1 ZINC000479815947 1040643161 /nfs/dbraw/zinc/64/31/61/1040643161.db2.gz RBXYKNCCCJKYBP-UHFFFAOYSA-N -1 0 331.456 3.777 20 0 EHADRM Cc1cc(N(C)C)cc(C)c1CC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000908842795 1040676052 /nfs/dbraw/zinc/67/60/52/1040676052.db2.gz LHAMKQSXZCEOEY-UHFFFAOYSA-N -1 0 340.423 3.557 20 0 EHADRM CCC[C@@](C)(NC(=O)c1ccc(NCc2ccsc2)cc1)C(=O)[O-] ZINC000908864904 1040684719 /nfs/dbraw/zinc/68/47/19/1040684719.db2.gz FLKCNDQACZYCFK-GOSISDBHSA-N -1 0 346.452 3.733 20 0 EHADRM O=C([O-])c1cc(Br)cc(NC2(C3CCOCC3)CC2)c1 ZINC001167748634 1040691936 /nfs/dbraw/zinc/69/19/36/1040691936.db2.gz OUBOXDZBWUPMDJ-UHFFFAOYSA-N -1 0 340.217 3.518 20 0 EHADRM CCC(C)(C)c1ccc(NC(=O)c2ccc3oc(=O)nc-3[n-]2)cc1 ZINC000614219061 1040705771 /nfs/dbraw/zinc/70/57/71/1040705771.db2.gz XNBBNMWKKSICJT-UHFFFAOYSA-N -1 0 325.368 3.868 20 0 EHADRM c1ccc(CCCCCN=c2[n-]nc(C3CCOCC3)s2)cc1 ZINC000549490786 1040765026 /nfs/dbraw/zinc/76/50/26/1040765026.db2.gz VFFWKNXQZRIUTB-UHFFFAOYSA-N -1 0 331.485 3.679 20 0 EHADRM O=S(=O)(/C=C/c1ccc(Cl)cc1)[N-]C1(C(F)(F)F)CCC1 ZINC000760615651 1040822272 /nfs/dbraw/zinc/82/22/72/1040822272.db2.gz KJYUGVLUVVULPU-RMKNXTFCSA-N -1 0 339.766 3.715 20 0 EHADRM CC[C@@H](c1ccccc1OC)N(C)C(=O)c1s[n-]c(=O)c1Cl ZINC000490929187 1040828951 /nfs/dbraw/zinc/82/89/51/1040828951.db2.gz WCKOXSDEVUZDHE-JTQLQIEISA-N -1 0 340.832 3.734 20 0 EHADRM Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000433133108 1040869041 /nfs/dbraw/zinc/86/90/41/1040869041.db2.gz HXSGKADTIAMJTN-UHFFFAOYSA-N -1 0 335.734 3.867 20 0 EHADRM CC(C)Oc1ccc(-c2ccc3c(c2)[C@@H](CC(=O)[O-])C(=O)N3)cc1 ZINC000899640043 1040906065 /nfs/dbraw/zinc/90/60/65/1040906065.db2.gz YUEMMRCZSJFXEK-MRXNPFEDSA-N -1 0 325.364 3.651 20 0 EHADRM CN(C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-])[C@H]1CCC(C)(C)C1 ZINC000614287082 1040926489 /nfs/dbraw/zinc/92/64/89/1040926489.db2.gz KPOPKZNYUVKCOZ-LBPRGKRZSA-N -1 0 349.381 3.507 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc(OCC(F)(F)F)cc2)CCCC1 ZINC000325071825 1040937742 /nfs/dbraw/zinc/93/77/42/1040937742.db2.gz XLJGVNLNXZTAAX-UHFFFAOYSA-N -1 0 345.317 3.601 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cccc3ncccc32)ccc1Cl ZINC000390542809 1040940108 /nfs/dbraw/zinc/94/01/08/1040940108.db2.gz NDPCNRCDOYQGSJ-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 ZINC000909686241 1040950958 /nfs/dbraw/zinc/95/09/58/1040950958.db2.gz CTGBSPRLFXARFP-BZNIZROVSA-N -1 0 345.361 3.972 20 0 EHADRM O=C([O-])C12CCC(C(=O)NCc3c(F)cccc3Cl)(CC1)CC2 ZINC000909722456 1040967562 /nfs/dbraw/zinc/96/75/62/1040967562.db2.gz VFVVRFVXPJSMQH-UHFFFAOYSA-N -1 0 339.794 3.521 20 0 EHADRM CCC[C@H]1CCCCN1C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC000909727894 1040969659 /nfs/dbraw/zinc/96/96/59/1040969659.db2.gz KKJLJZFWZUKJGM-ZDUSSCGKSA-N -1 0 328.412 3.590 20 0 EHADRM C/C(=C/c1ccccc1)CN(C)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000487637375 1041011195 /nfs/dbraw/zinc/01/11/95/1041011195.db2.gz IQSTUBGHFDQZTE-SSZFMOIBSA-N -1 0 347.418 3.753 20 0 EHADRM CC[C@@H](NC(=O)N=c1[n-]nc(-c2ccco2)s1)C1CCCCC1 ZINC000586779574 1041017692 /nfs/dbraw/zinc/01/76/92/1041017692.db2.gz MGETYNCBGWMGDP-GFCCVEGCSA-N -1 0 334.445 3.700 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)CCCc2ccc(O)c(F)c2)cc1 ZINC000909836782 1041034942 /nfs/dbraw/zinc/03/49/42/1041034942.db2.gz RTIHMGWLKWZLPY-GFCCVEGCSA-N -1 0 345.370 3.681 20 0 EHADRM CSc1ccc([C@@H](C)NC(=O)c2ccccc2CCC(=O)[O-])cc1 ZINC000909920614 1041053402 /nfs/dbraw/zinc/05/34/02/1041053402.db2.gz DYHCIKFFPMTZQT-CYBMUJFWSA-N -1 0 343.448 3.917 20 0 EHADRM C[C@@]1(C(=O)[O-])[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000899764639 1041092786 /nfs/dbraw/zinc/09/27/86/1041092786.db2.gz AIKXPUUBDAMNEG-NPGRCNIMSA-N -1 0 339.435 3.557 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1ccc(Oc2ccncc2)cc1 ZINC000899766801 1041094743 /nfs/dbraw/zinc/09/47/43/1041094743.db2.gz NTZXWCCHJPTQHS-CQSZACIVSA-N -1 0 342.395 3.949 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1cc(F)ccc1OC(C)C ZINC000899766331 1041095096 /nfs/dbraw/zinc/09/50/96/1041095096.db2.gz KPFZTUNSEXDUPB-GFCCVEGCSA-N -1 0 325.380 3.688 20 0 EHADRM O=C([O-])C1(CC(=O)NCCc2cc3ccccc3s2)CCCC1 ZINC000570933504 1041118186 /nfs/dbraw/zinc/11/81/86/1041118186.db2.gz RLLMFQJYJOQSLF-UHFFFAOYSA-N -1 0 331.437 3.595 20 0 EHADRM C[C@@]1(C(=O)[O-])[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccc(-c2ccccn2)cc1 ZINC000899786842 1041124095 /nfs/dbraw/zinc/12/40/95/1041124095.db2.gz ZQLFWHCTHIUUTB-JTQINKHRSA-N -1 0 348.402 3.600 20 0 EHADRM Cc1ccc([C@H](CC(=O)N2CCC[C@H]2c2ccsc2)C(=O)[O-])cc1 ZINC000899799530 1041137362 /nfs/dbraw/zinc/13/73/62/1041137362.db2.gz RCVNIQZNHIJJMM-IRXDYDNUSA-N -1 0 343.448 3.979 20 0 EHADRM C[C@H](C1CCCCC1)N(C)C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC000910020832 1041138039 /nfs/dbraw/zinc/13/80/39/1041138039.db2.gz CMPZIYWQSXDNDL-CYBMUJFWSA-N -1 0 342.439 3.836 20 0 EHADRM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)C34CCC(C(=O)[O-])(CC3)C4)C2)cc1 ZINC000910013416 1041148492 /nfs/dbraw/zinc/14/84/92/1041148492.db2.gz ZEZLVHMSQXOVTQ-HQBWRIINSA-N -1 0 341.451 3.735 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000899796692 1041148502 /nfs/dbraw/zinc/14/85/02/1041148502.db2.gz OPMZKQHPAYCVMF-RISCZKNCSA-N -1 0 339.432 3.616 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)N[C@H](c1ccccc1)C(F)(F)F ZINC000899806637 1041151201 /nfs/dbraw/zinc/15/12/01/1041151201.db2.gz NGSJXBWDKHOFSR-GXTWGEPZSA-N -1 0 331.334 3.543 20 0 EHADRM COCCCOc1ccc(Nc2ccc(C(=O)[O-])c(C)c2)cc1F ZINC001211657745 1041164762 /nfs/dbraw/zinc/16/47/62/1041164762.db2.gz YLODFEFHYNOEOL-UHFFFAOYSA-N -1 0 333.359 3.991 20 0 EHADRM CCC(CC)CN(CC)C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000555817530 1041190939 /nfs/dbraw/zinc/19/09/39/1041190939.db2.gz IMISSHNPKBPORT-UHFFFAOYSA-N -1 0 333.407 3.615 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@@H]2c2nc(C(=O)[O-])cs2)cc(C)c1F ZINC000910106091 1041192410 /nfs/dbraw/zinc/19/24/10/1041192410.db2.gz GGXAMTAWCWUCLM-CYBMUJFWSA-N -1 0 348.399 3.575 20 0 EHADRM C[C@@]1(C(=O)[O-])[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccc(C2CC2)cc1F ZINC000899832711 1041195752 /nfs/dbraw/zinc/19/57/52/1041195752.db2.gz HUZABPBOFZAAFI-HAELCTKSSA-N -1 0 329.371 3.555 20 0 EHADRM CC[C@H](C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])cs1)c1ccccc1 ZINC000910113710 1041197308 /nfs/dbraw/zinc/19/73/08/1041197308.db2.gz OYQSAKFGQJSVGQ-DZGCQCFKSA-N -1 0 344.436 3.699 20 0 EHADRM O=C([O-])c1csc([C@@H]2CCCN2C(=O)/C=C/C2CCCCC2)n1 ZINC000910113619 1041197703 /nfs/dbraw/zinc/19/77/03/1041197703.db2.gz JFHCWPDJTOPCHI-VFNNOXKTSA-N -1 0 334.441 3.641 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc(-c3ccon3)cc2)CCCCC1 ZINC000899846048 1041198136 /nfs/dbraw/zinc/19/81/36/1041198136.db2.gz JEYYGGZSXWXPDF-UHFFFAOYSA-N -1 0 328.368 3.705 20 0 EHADRM CCC[C@@]1(C(=O)[O-])CCCN1C(=O)c1oc(-c2ccccc2)nc1C ZINC000910121471 1041205799 /nfs/dbraw/zinc/20/57/99/1041205799.db2.gz VIZQBWONFLRLAH-IBGZPJMESA-N -1 0 342.395 3.510 20 0 EHADRM CCC(CC)(CC(=O)N[C@@H](c1ncccc1C)C(C)(C)C)C(=O)[O-] ZINC000899853398 1041214019 /nfs/dbraw/zinc/21/40/19/1041214019.db2.gz UQONNXBWCHJDDP-INIZCTEOSA-N -1 0 334.460 3.875 20 0 EHADRM CCCN=c1[n-]nc(SCc2ccn(C(CC)CC)n2)s1 ZINC000433381418 1041365675 /nfs/dbraw/zinc/36/56/75/1041365675.db2.gz JYFWXZSDVRJMOK-UHFFFAOYSA-N -1 0 325.507 3.632 20 0 EHADRM Cc1ccc(F)cc1-c1nnc(NC(=O)c2ncccc2Cl)s1 ZINC000509892153 1041420151 /nfs/dbraw/zinc/42/01/51/1041420151.db2.gz ATADNBQKCHVTTI-UHFFFAOYSA-N -1 0 348.790 3.953 20 0 EHADRM Cc1cc(Nc2c(N)cc(Br)cc2F)ccc1C(=O)[O-] ZINC001211658088 1041421581 /nfs/dbraw/zinc/42/15/81/1041421581.db2.gz ADCLNRWDVLMVAL-UHFFFAOYSA-N -1 0 339.164 3.921 20 0 EHADRM CCO[C@@H](CC(=O)Nc1cc(C(=O)[O-])c(C)cc1C)C1=CCCC1 ZINC000431990546 1041452242 /nfs/dbraw/zinc/45/22/42/1041452242.db2.gz BOGJIYCGLTZBMO-KRWDZBQOSA-N -1 0 331.412 3.846 20 0 EHADRM O=S(=O)([N-]c1cccnc1Oc1ccccc1)c1cccc(F)c1 ZINC000047211881 1041578788 /nfs/dbraw/zinc/57/87/88/1041578788.db2.gz REXRZPFMMCADAF-UHFFFAOYSA-N -1 0 344.367 3.814 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2ccc(C(=O)[O-])s2)C(F)(F)F)c1 ZINC000432090505 1041579922 /nfs/dbraw/zinc/57/99/22/1041579922.db2.gz CSCUOFOWYOHIRI-GFCCVEGCSA-N -1 0 343.326 3.788 20 0 EHADRM Cc1cccc([C@H](NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)C(F)(F)F)c1 ZINC000432101156 1041595997 /nfs/dbraw/zinc/59/59/97/1041595997.db2.gz YKWTYVBAFKMDPG-MJBXVCDLSA-N -1 0 343.345 3.606 20 0 EHADRM CCOc1ccc([C@H](C)N=c2[n-]nc(C3CC3)s2)cc1OCC ZINC000432122672 1041618983 /nfs/dbraw/zinc/61/89/83/1041618983.db2.gz OMFKCVVOUCNVAV-NSHDSACASA-N -1 0 333.457 3.808 20 0 EHADRM C/C(=C\C(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000909340978 1041630566 /nfs/dbraw/zinc/63/05/66/1041630566.db2.gz DBGCSOZVJIORAW-HBWSCVEGSA-N -1 0 325.355 3.589 20 0 EHADRM Cc1ccc(CCCCC(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])cc1 ZINC000432134614 1041636079 /nfs/dbraw/zinc/63/60/79/1041636079.db2.gz UVEYSAYIRJIAGK-YLJYHZDGSA-N -1 0 331.456 3.858 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1ccc(-c2cc[nH]n2)s1 ZINC000432148240 1041650250 /nfs/dbraw/zinc/65/02/50/1041650250.db2.gz KRZGJINKXZYYJC-UHFFFAOYSA-N -1 0 337.763 3.889 20 0 EHADRM C[C@@H]1CN(C(=O)CC2CCC(C(=O)[O-])CC2)CCc2ccc(F)cc21 ZINC000652122090 1041659263 /nfs/dbraw/zinc/65/92/63/1041659263.db2.gz IYXLRPZWHLHMDP-VQCLRJIVSA-N -1 0 347.430 3.595 20 0 EHADRM CC(C)Nc1ccc(Cl)cc1NC(=O)C1CCC(C(=O)[O-])CC1 ZINC000659167388 1041691519 /nfs/dbraw/zinc/69/15/19/1041691519.db2.gz NQVNQRSUIOIODD-UHFFFAOYSA-N -1 0 338.835 3.990 20 0 EHADRM CCCCOc1ccc(NC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c(C)c1 ZINC000647693922 1041702826 /nfs/dbraw/zinc/70/28/26/1041702826.db2.gz VMCHIJAJDPBPKA-UONOGXRCSA-N -1 0 334.416 3.549 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2cccc(C(F)F)c2Cl)C[C@@H]1C(=O)[O-] ZINC000647699765 1041781474 /nfs/dbraw/zinc/78/14/74/1041781474.db2.gz FGRPZRKNIUYBQN-WPRPVWTQSA-N -1 0 346.761 3.852 20 0 EHADRM CO[C@@H](CC(=O)Nc1cc(Cl)cc(Cl)c1[O-])C(F)(F)F ZINC000651629268 1041811484 /nfs/dbraw/zinc/81/14/84/1041811484.db2.gz PKOFKINEYWJRFZ-QMMMGPOBSA-N -1 0 332.105 3.605 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)c1F ZINC000313222347 1041842188 /nfs/dbraw/zinc/84/21/88/1041842188.db2.gz WLLDBPWVHWSHMJ-UHFFFAOYSA-N -1 0 348.443 3.925 20 0 EHADRM Cc1cc(-n2cc(Br)c3cccc(N)c32)ccc1C(=O)[O-] ZINC001211663541 1041875649 /nfs/dbraw/zinc/87/56/49/1041875649.db2.gz OVKNSQWWNWCBLR-UHFFFAOYSA-N -1 0 345.196 3.982 20 0 EHADRM CCCCCC[C@](C)(NC(=O)C[C@H]1CCOc2ccccc21)C(=O)[O-] ZINC000236722137 1042075997 /nfs/dbraw/zinc/07/59/97/1042075997.db2.gz QWGLNXIIYSUDMI-QRWLVFNGSA-N -1 0 347.455 3.873 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1c1ccnc2cc(Br)ccc21 ZINC000662894155 1042204108 /nfs/dbraw/zinc/20/41/08/1042204108.db2.gz UGFHHRXRAFNNNG-GHMZBOCLSA-N -1 0 349.228 3.687 20 0 EHADRM CCc1oc(C(=O)N(C)Cc2ccc3ccccc3c2)cc1C(=O)[O-] ZINC000549549650 1042207875 /nfs/dbraw/zinc/20/78/75/1042207875.db2.gz ALESZYJENGQBPZ-UHFFFAOYSA-N -1 0 337.375 3.966 20 0 EHADRM CCC[C@@H]1CCC[C@H]1C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000663058177 1042406268 /nfs/dbraw/zinc/40/62/68/1042406268.db2.gz SELXYOFCZUYOLK-DDBAPUKQSA-N -1 0 329.440 3.530 20 0 EHADRM Cc1c(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cccc1OCC(F)(F)F ZINC000663079670 1042428864 /nfs/dbraw/zinc/42/88/64/1042428864.db2.gz MMDVNVNOKQSGDN-LBPRGKRZSA-N -1 0 347.333 3.622 20 0 EHADRM Cc1cccc(COc2cccc(NC(=O)C3(C(=O)[O-])CCC3)c2)c1 ZINC000663081260 1042431425 /nfs/dbraw/zinc/43/14/25/1042431425.db2.gz VULJNJKVBQUYDI-UHFFFAOYSA-N -1 0 339.391 3.767 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc(CCC(F)(F)F)c2)CC=CC1 ZINC000663091338 1042440185 /nfs/dbraw/zinc/44/01/85/1042440185.db2.gz WDFFRXKXRQLEKW-UHFFFAOYSA-N -1 0 327.302 3.541 20 0 EHADRM O=C(NCCCOc1ccc(F)cc1)c1cc(F)c([O-])c(Cl)c1 ZINC000184337361 1042468006 /nfs/dbraw/zinc/46/80/06/1042468006.db2.gz IUDHKIYQIYCOIG-UHFFFAOYSA-N -1 0 341.741 3.523 20 0 EHADRM Cc1ccc(OCCCNC(=O)c2cc(F)c([O-])c(Cl)c2)cc1 ZINC000184354139 1042474662 /nfs/dbraw/zinc/47/46/62/1042474662.db2.gz KCWFJQDSUZEUQM-UHFFFAOYSA-N -1 0 337.778 3.692 20 0 EHADRM CCC(CC)(CC(=O)N[C@@H](c1ccco1)c1ccccc1)C(=O)[O-] ZINC000055008941 1042478323 /nfs/dbraw/zinc/47/83/23/1042478323.db2.gz IWCRXAHXYYCKPM-QGZVFWFLSA-N -1 0 329.396 3.766 20 0 EHADRM CC(=O)c1ccc(C(=O)N(Cc2ccc(F)cc2F)C2CC2)cc1O ZINC000663164980 1042512299 /nfs/dbraw/zinc/51/22/99/1042512299.db2.gz GCIAEGUZOAWDDR-UHFFFAOYSA-N -1 0 345.345 3.678 20 0 EHADRM C[C@@]1(c2cccc(F)c2)CCN(C(=O)c2c([O-])cc(F)cc2F)C1 ZINC000652620002 1042582845 /nfs/dbraw/zinc/58/28/45/1042582845.db2.gz XTTCLJRLWCVROQ-GOSISDBHSA-N -1 0 335.325 3.613 20 0 EHADRM C[C@@H](CSc1ccccc1)N(C)C(=O)c1s[n-]c(=O)c1Cl ZINC000652621890 1042585351 /nfs/dbraw/zinc/58/53/51/1042585351.db2.gz XOESBCUBIJMMSB-VIFPVBQESA-N -1 0 342.873 3.755 20 0 EHADRM Cc1nc(C)c(-c2csc(NC(=O)c3c([O-])cccc3F)n2)s1 ZINC000185714043 1042638607 /nfs/dbraw/zinc/63/86/07/1042638607.db2.gz WJZKKSCHNADDTA-UHFFFAOYSA-N -1 0 349.412 3.980 20 0 EHADRM Cc1cnc([C@H](C)CNC(=O)c2c([O-])cc(Cl)cc2Cl)s1 ZINC000186392637 1042659803 /nfs/dbraw/zinc/65/98/03/1042659803.db2.gz GGQDQYJTFDMKTC-SSDOTTSWSA-N -1 0 345.251 3.997 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)C2CCC(C3CC3)CC2)[C@H]2CCCC[C@@H]12 ZINC000659193649 1042684993 /nfs/dbraw/zinc/68/49/93/1042684993.db2.gz QDRAMZRMRIMVEG-YOHUBWIESA-N -1 0 333.472 3.695 20 0 EHADRM CN(C)c1ccc(Cl)cc1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000186708163 1042692691 /nfs/dbraw/zinc/69/26/91/1042692691.db2.gz RDYUHFDXIKHICG-UHFFFAOYSA-N -1 0 326.730 3.642 20 0 EHADRM Cc1ccc(Oc2ccccc2NC(=O)NCC2(C(=O)[O-])CC2)cc1 ZINC000663342003 1042723398 /nfs/dbraw/zinc/72/33/98/1042723398.db2.gz YNALEZSZAKTAQA-UHFFFAOYSA-N -1 0 340.379 3.774 20 0 EHADRM CN(CC1(O)CCCCCC1)C(=O)c1ccc(C(F)(F)F)cc1O ZINC000186931246 1042726502 /nfs/dbraw/zinc/72/65/02/1042726502.db2.gz IXYROGJPGNBUNL-UHFFFAOYSA-N -1 0 345.361 3.568 20 0 EHADRM CC(C)c1nc2cc(NC(=O)NC[C@@H](C(=O)[O-])C3CCC3)ccc2o1 ZINC000663345320 1042730764 /nfs/dbraw/zinc/73/07/64/1042730764.db2.gz IJHKUCBYXLCOOM-CYBMUJFWSA-N -1 0 345.399 3.574 20 0 EHADRM Cc1cc(NC(=O)c2cc(F)c([O-])c(F)c2)nn1-c1ccc(C)cc1 ZINC000186987206 1042737803 /nfs/dbraw/zinc/73/78/03/1042737803.db2.gz WEBKEZLBOATWPS-UHFFFAOYSA-N -1 0 343.333 3.725 20 0 EHADRM CCO[C@@H](CC)C(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000066004308 1042768821 /nfs/dbraw/zinc/76/88/21/1042768821.db2.gz UVZCSARQSZYFLF-LURJTMIESA-N -1 0 346.257 3.515 20 0 EHADRM CSc1cccc(C)c1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000185338890 1042741933 /nfs/dbraw/zinc/74/19/33/1042741933.db2.gz XQCLQYKBYGCEMK-UHFFFAOYSA-N -1 0 329.393 3.796 20 0 EHADRM Cc1oc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2F)c1C ZINC000064697356 1042747239 /nfs/dbraw/zinc/74/72/39/1042747239.db2.gz JGMNRSZTZXUSMH-UHFFFAOYSA-N -1 0 345.779 3.691 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)c1cc(C(F)(F)F)ccc1Cl ZINC000636867658 1042841984 /nfs/dbraw/zinc/84/19/84/1042841984.db2.gz SAGQJWSTKZCQIT-UHFFFAOYSA-N -1 0 341.720 3.700 20 0 EHADRM O=S(=O)([N-]c1ccccc1Oc1ccncc1)c1ccsc1 ZINC000350143381 1042949046 /nfs/dbraw/zinc/94/90/46/1042949046.db2.gz NOKLOCDVKTXYNI-UHFFFAOYSA-N -1 0 332.406 3.736 20 0 EHADRM Cc1ccc(C(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)c(C)n1 ZINC000344193343 1043402457 /nfs/dbraw/zinc/40/24/57/1043402457.db2.gz VRSSABHYVSEQLO-UHFFFAOYSA-N -1 0 344.827 3.545 20 0 EHADRM CCCN(C(=O)c1cc(O)c2ccccc2c1)[C@H](CC)C(=O)OCC ZINC000473225113 1043785667 /nfs/dbraw/zinc/78/56/67/1043785667.db2.gz VMFALVBZJMDPHQ-QGZVFWFLSA-N -1 0 343.423 3.739 20 0 EHADRM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cc(F)cc(Cl)c1O ZINC000320162169 1043979640 /nfs/dbraw/zinc/97/96/40/1043979640.db2.gz IHUYTCMAPURSEU-UHFFFAOYSA-N -1 0 347.770 3.741 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@H](c2cccc(C)c2)c2ccccn2)s[n-]1 ZINC000337885115 1044518650 /nfs/dbraw/zinc/51/86/50/1044518650.db2.gz XJBZFVLOHPIJDQ-XJKSGUPXSA-N -1 0 340.452 3.572 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2C)cc1F ZINC000337879317 1044524893 /nfs/dbraw/zinc/52/48/93/1044524893.db2.gz WZAKYFDMAZTLRE-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc(O)cc2F)n1 ZINC000154789456 1125756045 /nfs/dbraw/zinc/75/60/45/1125756045.db2.gz YCIZMTCRTFBHNS-UHFFFAOYSA-N -1 0 325.343 3.586 20 0 EHADRM C[C@H](C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1ccnn1C ZINC000622481533 1126705006 /nfs/dbraw/zinc/70/50/06/1126705006.db2.gz XEYXPMFOHSSBGN-LURJTMIESA-N -1 0 348.617 3.828 20 0 EHADRM Cc1c(C(=O)Nc2cccc(Cl)c2[O-])cnn1Cc1ccccc1 ZINC000172355465 1126791072 /nfs/dbraw/zinc/79/10/72/1126791072.db2.gz YUWJDGDRODXKBH-UHFFFAOYSA-N -1 0 341.798 3.851 20 0 EHADRM COc1ccc(C)cc1[C@@H](C)NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000336877887 1126814082 /nfs/dbraw/zinc/81/40/82/1126814082.db2.gz YRVUUMNIRHZXQD-CQSZACIVSA-N -1 0 333.428 3.606 20 0 EHADRM Cc1ncccc1C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000174921047 1126863891 /nfs/dbraw/zinc/86/38/91/1126863891.db2.gz KIOAJPHWNTWUGU-UHFFFAOYSA-N -1 0 341.592 3.764 20 0 EHADRM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1cccc(-c2ccoc2)c1 ZINC000179453099 1127065159 /nfs/dbraw/zinc/06/51/59/1127065159.db2.gz UDBPTKNRSWYWGH-UHFFFAOYSA-N -1 0 347.330 3.542 20 0 EHADRM Cc1nnc2ccc(-c3noc(-c4ccc5ccccc5c4O)n3)cn12 ZINC000350937208 1127121236 /nfs/dbraw/zinc/12/12/36/1127121236.db2.gz KYVMTZGVMMDABU-UHFFFAOYSA-N -1 0 343.346 3.614 20 0 EHADRM CC(C)Cc1cc(NC(=O)c2ccc3[n-]c(=S)oc3c2)n(C)n1 ZINC000073182756 1127187665 /nfs/dbraw/zinc/18/76/65/1127187665.db2.gz RZKFVJUPAUUNMK-UHFFFAOYSA-N -1 0 330.413 3.675 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)c(C)o1 ZINC000182769183 1127347444 /nfs/dbraw/zinc/34/74/44/1127347444.db2.gz YQHOABDYDWODEP-UHFFFAOYSA-N -1 0 334.441 3.688 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(Oc3ccccn3)c2)c(C)o1 ZINC000182810778 1127349026 /nfs/dbraw/zinc/34/90/26/1127349026.db2.gz SPKJYJXLSKRNEZ-UHFFFAOYSA-N -1 0 344.392 3.885 20 0 EHADRM CCCc1cnc([N-]S(=O)(=O)c2ccc(F)cc2Cl)s1 ZINC000183196926 1127366998 /nfs/dbraw/zinc/36/69/98/1127366998.db2.gz XDKNEQFTGREHPI-UHFFFAOYSA-N -1 0 334.825 3.689 20 0 EHADRM COc1cc(C(=O)[N-]c2cc(C)ccc2SCC(F)(F)F)on1 ZINC000183952171 1127389967 /nfs/dbraw/zinc/38/99/67/1127389967.db2.gz JBBABQQSLCTPME-UHFFFAOYSA-N -1 0 346.330 3.898 20 0 EHADRM C[C@H](C(F)(F)F)S(=O)(=O)[N-]C(C)(C)Cc1ccccc1Cl ZINC000184411830 1127404305 /nfs/dbraw/zinc/40/43/05/1127404305.db2.gz QKYGLMXSRGOBBW-SECBINFHSA-N -1 0 343.798 3.531 20 0 EHADRM CCC[C@H]([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)c1ccc(F)cc1F ZINC000184676318 1127411296 /nfs/dbraw/zinc/41/12/96/1127411296.db2.gz SHYBDVNBAXCUKL-UFBFGSQYSA-N -1 0 345.333 3.676 20 0 EHADRM CCCCCS(=O)(=O)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000184854714 1127414511 /nfs/dbraw/zinc/41/45/11/1127414511.db2.gz ZHWBYRUQSFOJDP-LBPRGKRZSA-N -1 0 345.333 3.678 20 0 EHADRM CCC[C@]1(COC)CCCN1C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000194456128 1127459964 /nfs/dbraw/zinc/45/99/64/1127459964.db2.gz ZHVVPDABWDKVEO-MRXNPFEDSA-N -1 0 329.799 3.606 20 0 EHADRM CCC[C@@H](C(=O)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl)C(C)C ZINC000764686365 1127522636 /nfs/dbraw/zinc/52/26/36/1127522636.db2.gz SMYKDJCJDBEKSA-LLVKDONJSA-N -1 0 349.855 3.665 20 0 EHADRM O=C(N[C@H](CCO)C1CC1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000764711513 1127524917 /nfs/dbraw/zinc/52/49/17/1127524917.db2.gz PXROPYWTYCPXPJ-QGZVFWFLSA-N -1 0 345.826 3.603 20 0 EHADRM COc1cc(C)ccc1NC(=O)c1ccc(Br)cc1[O-] ZINC000383610613 1127549787 /nfs/dbraw/zinc/54/97/87/1127549787.db2.gz FFIAXUSJVKEIQX-UHFFFAOYSA-N -1 0 336.185 3.724 20 0 EHADRM O=S(=O)([N-]c1ccc(OCC(F)(F)F)cc1)c1ccccc1F ZINC000010516311 1127632294 /nfs/dbraw/zinc/63/22/94/1127632294.db2.gz FISHCZPCYHXUSZ-UHFFFAOYSA-N -1 0 349.305 3.568 20 0 EHADRM O=S(=O)([N-]c1cccc2n[nH]cc21)c1csc2ccccc21 ZINC000671658473 1127763590 /nfs/dbraw/zinc/76/35/90/1127763590.db2.gz XQMKYCLQZAVWSB-UHFFFAOYSA-N -1 0 329.406 3.578 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(C)nc2)cc(C(F)(F)F)c1 ZINC000671661777 1127770053 /nfs/dbraw/zinc/77/00/53/1127770053.db2.gz ZYHDTVHCRSNTIX-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2csc(-c3ccccc3)n2)cc1 ZINC000671663475 1127773561 /nfs/dbraw/zinc/77/35/61/1127773561.db2.gz OSWWRFONNPBXLZ-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM O=S(=O)([N-]c1ccc(Oc2ccccc2)nc1)c1cccc(F)c1 ZINC000047214547 1128003455 /nfs/dbraw/zinc/00/34/55/1128003455.db2.gz IHGDDPMDRCBFQZ-UHFFFAOYSA-N -1 0 344.367 3.814 20 0 EHADRM CN(C)[C@@H](CN=c1[n-]c(-c2ccccc2)no1)c1ccccc1Cl ZINC000624553820 1128393244 /nfs/dbraw/zinc/39/32/44/1128393244.db2.gz NNPZIVFCPKCZAK-INIZCTEOSA-N -1 0 342.830 3.527 20 0 EHADRM O=C(Cc1ccc(-n2cccc2)cc1)[N-]S(=O)(=O)C1CCCCC1 ZINC000058077916 1128456134 /nfs/dbraw/zinc/45/61/34/1128456134.db2.gz KZDWBOAWGZCDBQ-UHFFFAOYSA-N -1 0 346.452 3.639 20 0 EHADRM S=c1[n-]c2ccc(-c3noc(-c4ncc(Cl)cn4)n3)cc2s1 ZINC001212418150 1128481885 /nfs/dbraw/zinc/48/18/85/1128481885.db2.gz ASHYMVRQSBANLU-UHFFFAOYSA-N -1 0 347.812 3.745 20 0 EHADRM CCOc1ccc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)cc1Cl ZINC000055150107 1128506777 /nfs/dbraw/zinc/50/67/77/1128506777.db2.gz XIHJRFIFBTXMET-AWEZNQCLSA-N -1 0 347.798 3.936 20 0 EHADRM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3cc(C)ccc3F)cc2)o1 ZINC000055582443 1128524339 /nfs/dbraw/zinc/52/43/39/1128524339.db2.gz CARXMSUMTKAFDP-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM O=C(Nc1cncc2ccccc21)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000542786392 1128613324 /nfs/dbraw/zinc/61/33/24/1128613324.db2.gz VZHBGLIRRPGEHN-UHFFFAOYSA-N -1 0 348.337 3.518 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1cc2c([nH]c1=O)CCC2 ZINC000765859541 1128617909 /nfs/dbraw/zinc/61/79/09/1128617909.db2.gz NLGRDEUMEVOKLZ-UHFFFAOYSA-N -1 0 339.178 3.541 20 0 EHADRM CSc1ccccc1[C@@H](C)N=c1[n-]nc(C2CCOCC2)s1 ZINC000338713823 1128737281 /nfs/dbraw/zinc/73/72/81/1128737281.db2.gz NQPSQXROBBRQPE-LLVKDONJSA-N -1 0 335.498 3.749 20 0 EHADRM CCCCCC[C@@H](C)C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000172721029 1128854425 /nfs/dbraw/zinc/85/44/25/1128854425.db2.gz PZYYZSWCZDYDGI-GFCCVEGCSA-N -1 0 335.473 3.550 20 0 EHADRM Cc1ccccc1C(F)(F)C[N-]S(=O)(=O)CC(C)(C)C(C)C ZINC001670619396 1120091243 /nfs/dbraw/zinc/09/12/43/1120091243.db2.gz BBLRPIPPDMUUNU-UHFFFAOYSA-N -1 0 333.444 3.688 20 0 EHADRM O=C(c1c([O-])cc(Cl)cc1Cl)N1CCc2c(O)cccc2C1 ZINC001648958961 1120280238 /nfs/dbraw/zinc/28/02/38/1120280238.db2.gz SJCMTKCHDBXWHY-UHFFFAOYSA-N -1 0 338.190 3.603 20 0 EHADRM C[C@H](CN(C)C(=O)Nc1ccc(SC(C)(C)C)c(F)c1)C(=O)[O-] ZINC000263024690 1120313406 /nfs/dbraw/zinc/31/34/06/1120313406.db2.gz AJYWSDCVBLOGRX-SNVBAGLBSA-N -1 0 342.436 3.901 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CC[C@H](C4CC4)C3)n2)cc1 ZINC000534284077 1120364787 /nfs/dbraw/zinc/36/47/87/1120364787.db2.gz YNBXIGKGYMUOHM-INIZCTEOSA-N -1 0 339.439 3.573 20 0 EHADRM O=C(Nc1cccc(-n2cccc2)c1)c1cc(F)c(F)c([O-])c1F ZINC000184967172 1120394625 /nfs/dbraw/zinc/39/46/25/1120394625.db2.gz DABQKDOMDPXYMC-UHFFFAOYSA-N -1 0 332.281 3.853 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1ccc2oc(C)c(C)c2c1 ZINC000187056356 1120484805 /nfs/dbraw/zinc/48/48/05/1120484805.db2.gz LCUIXEJFIPGCAW-UHFFFAOYSA-N -1 0 331.393 3.859 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cnc(Cl)cc2C)cc(C)c1F ZINC000153018063 1120534445 /nfs/dbraw/zinc/53/44/45/1120534445.db2.gz NCUZGNPSGBCAKX-UHFFFAOYSA-N -1 0 328.796 3.600 20 0 EHADRM Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1 ZINC000189306876 1120576705 /nfs/dbraw/zinc/57/67/05/1120576705.db2.gz FAFLYTQXOQRWBE-UHFFFAOYSA-N -1 0 345.342 3.606 20 0 EHADRM O=C(NCc1cccc(C(F)(F)F)c1)c1cc(F)c(F)c([O-])c1F ZINC000193914947 1120807865 /nfs/dbraw/zinc/80/78/65/1120807865.db2.gz QIBCEPFCFPBFMR-UHFFFAOYSA-N -1 0 349.230 3.758 20 0 EHADRM Cc1cc([C@H](C)NC(=O)c2cc(F)c(F)c([O-])c2F)c(C)s1 ZINC000193926553 1120809122 /nfs/dbraw/zinc/80/91/22/1120809122.db2.gz AOYZVJXFVHBYSQ-ZETCQYMHSA-N -1 0 329.343 3.979 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)c2cc(F)c(F)c([O-])c2F)c(C)s1 ZINC000193926538 1120809241 /nfs/dbraw/zinc/80/92/41/1120809241.db2.gz AOYZVJXFVHBYSQ-SSDOTTSWSA-N -1 0 329.343 3.979 20 0 EHADRM CC(C)OCc1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000194034508 1120818213 /nfs/dbraw/zinc/81/82/13/1120818213.db2.gz QEBIRDVNQMBWQN-UHFFFAOYSA-N -1 0 341.379 3.691 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)C=C2CCC(C)(C)CC2)C(=O)[O-])cc1 ZINC000761733607 1120850117 /nfs/dbraw/zinc/85/01/17/1120850117.db2.gz DKZHKEFXQRRUGA-QGZVFWFLSA-N -1 0 329.440 3.806 20 0 EHADRM CCC[C@@H](C)[C@H]1CCCN1C(=O)N=c1[n-]nc(SCC)s1 ZINC000495145749 1120969639 /nfs/dbraw/zinc/96/96/39/1120969639.db2.gz HDMYEYJGTUNXJO-GHMZBOCLSA-N -1 0 328.507 3.505 20 0 EHADRM CCC[C@@H](C)c1noc(-c2ccc3c(c2)[n-]c(=S)n(CC)c3=O)n1 ZINC000761843112 1120985815 /nfs/dbraw/zinc/98/58/15/1120985815.db2.gz AELZPAONQBWFED-SNVBAGLBSA-N -1 0 344.440 3.659 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2cc(C(C)=O)ccc2Cl)cc1 ZINC000761885407 1121002099 /nfs/dbraw/zinc/00/20/99/1121002099.db2.gz CUXKHPNTZUDRKU-UHFFFAOYSA-N -1 0 337.828 3.906 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)c1cncc2ccccc21)C(=O)[O-] ZINC000761952870 1121015561 /nfs/dbraw/zinc/01/55/61/1121015561.db2.gz ZINBCIRKLYWCPR-LJQANCHMSA-N -1 0 328.412 3.778 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)CC2CCCCC2)c(Cl)cc1F ZINC000762169651 1121141409 /nfs/dbraw/zinc/14/14/09/1121141409.db2.gz BMSJGQXCTZEAPZ-UHFFFAOYSA-N -1 0 347.839 3.563 20 0 EHADRM CC[C@@H](C)c1cc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)on1 ZINC000236893100 1121468359 /nfs/dbraw/zinc/46/83/59/1121468359.db2.gz VFVNOBKBLXELHY-LLVKDONJSA-N -1 0 346.383 3.926 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])Cc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000236966421 1121469619 /nfs/dbraw/zinc/46/96/19/1121469619.db2.gz CRJJKPDEBUWENW-ZDUSSCGKSA-N -1 0 331.416 3.545 20 0 EHADRM CCC[C@H](C(=O)NCc1ccc(C(=O)[O-])c(OC)c1)c1ccccc1 ZINC000236994602 1121470737 /nfs/dbraw/zinc/47/07/37/1121470737.db2.gz YEVOZRHIPFOENS-INIZCTEOSA-N -1 0 341.407 3.594 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccccc1 ZINC000237537858 1121487356 /nfs/dbraw/zinc/48/73/56/1121487356.db2.gz KFWTYFBEGDCFIF-IFXJQAMLSA-N -1 0 337.419 3.757 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000238106521 1121502568 /nfs/dbraw/zinc/50/25/68/1121502568.db2.gz JCERVJCKXHNCDM-UHFFFAOYSA-N -1 0 343.232 3.675 20 0 EHADRM O=C([O-])c1ccc(NC(=O)/C=C/c2nc3ccccc3o2)cc1Cl ZINC000238183461 1121505811 /nfs/dbraw/zinc/50/58/11/1121505811.db2.gz JRWNOINSVDEIEN-BQYQJAHWSA-N -1 0 342.738 3.831 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2csc(Cc3ccccc3)n2)c1 ZINC000238228946 1121506937 /nfs/dbraw/zinc/50/69/37/1121506937.db2.gz YSDSLXZTCYULQC-UHFFFAOYSA-N -1 0 338.388 3.684 20 0 EHADRM COCc1cc(O)ccc1NC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001299220615 1121512058 /nfs/dbraw/zinc/51/20/58/1121512058.db2.gz YWMSJYMBZSAAIS-UHFFFAOYSA-N -1 0 342.178 3.803 20 0 EHADRM Cc1c(CSC(C)C)cccc1NC(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000780589841 1121638556 /nfs/dbraw/zinc/63/85/56/1121638556.db2.gz MNYJXRVBEUKGSQ-OAHLLOKOSA-N -1 0 338.473 3.867 20 0 EHADRM COCc1ccccc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000055595325 1121842544 /nfs/dbraw/zinc/84/25/44/1121842544.db2.gz QESKCSRKGHHSGG-UHFFFAOYSA-N -1 0 345.342 3.653 20 0 EHADRM Cc1cc(F)cc(C)c1S(=O)(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000326450245 1121945313 /nfs/dbraw/zinc/94/53/13/1121945313.db2.gz YSAZGJGPTLFCSH-UHFFFAOYSA-N -1 0 345.399 3.633 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000630097634 1121970382 /nfs/dbraw/zinc/97/03/82/1121970382.db2.gz JXMODQKKZMNYHT-HNNXBMFYSA-N -1 0 339.391 3.724 20 0 EHADRM O=C([O-])CCOc1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000915981259 1122006704 /nfs/dbraw/zinc/00/67/04/1122006704.db2.gz NCIGPDDWORPFBM-OQLLNIDSSA-N -1 0 343.766 3.686 20 0 EHADRM CC(C)c1ccc(C(=O)[N-]S(=O)(=O)/C=C/c2ccccc2)cc1 ZINC000916183056 1122085216 /nfs/dbraw/zinc/08/52/16/1122085216.db2.gz HPCHOXJRMJAGGS-OUKQBFOZSA-N -1 0 329.421 3.541 20 0 EHADRM CC1CCN(C(=O)c2cc(Br)cc(Cl)c2[O-])CC1 ZINC000124058978 1122273574 /nfs/dbraw/zinc/27/35/74/1122273574.db2.gz YQQQQRFAZOLCEI-UHFFFAOYSA-N -1 0 332.625 3.680 20 0 EHADRM C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1c([O-])cccc1F ZINC000124073154 1122274222 /nfs/dbraw/zinc/27/42/22/1122274222.db2.gz HLCYAJGGJQEXNJ-BDJLRTHQSA-N -1 0 349.789 3.787 20 0 EHADRM CCc1cc(=O)[nH]c(CS[C@@H](C)C(=O)Nc2ccc(C)c(C)c2)n1 ZINC000125539200 1122320317 /nfs/dbraw/zinc/32/03/17/1122320317.db2.gz IIPDGUHHHXXOIO-ZDUSSCGKSA-N -1 0 345.468 3.622 20 0 EHADRM Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)c1C ZINC000916747275 1122340337 /nfs/dbraw/zinc/34/03/37/1122340337.db2.gz QYZZOIMNNMRCTK-UHFFFAOYSA-N -1 0 339.416 3.575 20 0 EHADRM CC(C)CCC(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000916814261 1122358697 /nfs/dbraw/zinc/35/86/97/1122358697.db2.gz ZBKSJSWVBFTEHU-UHFFFAOYSA-N -1 0 337.485 3.975 20 0 EHADRM CCCc1ccccc1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000497538624 1122584357 /nfs/dbraw/zinc/58/43/57/1122584357.db2.gz MDPTYTUVWHSMEN-UHFFFAOYSA-N -1 0 329.343 3.857 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)C[C@H](C(=O)[O-])c1ccccc1)CCC2 ZINC000672774447 1129067853 /nfs/dbraw/zinc/06/78/53/1129067853.db2.gz ZQGBKMMWQJNHIW-OALUTQOASA-N -1 0 337.419 3.747 20 0 EHADRM O=c1nc(-c2ccc([O-])c(F)c2)[nH]c2sc3c(c21)CCCS3 ZINC000128641464 1122639430 /nfs/dbraw/zinc/63/94/30/1122639430.db2.gz ABPMTXPFQKUQGZ-UHFFFAOYSA-N -1 0 334.397 3.535 20 0 EHADRM O=S(=O)(Nc1ccc(OCC2CC2)cc1)c1cc(F)cc(F)c1 ZINC000497945062 1122709927 /nfs/dbraw/zinc/70/99/27/1122709927.db2.gz VCYMJGJLKYHNPN-UHFFFAOYSA-N -1 0 339.363 3.554 20 0 EHADRM C[C@H](CC(=O)N(CCC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC000013428675 1129073000 /nfs/dbraw/zinc/07/30/00/1129073000.db2.gz VACAARFSGUGSSI-MRXNPFEDSA-N -1 0 325.408 3.684 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1cccc(C(F)(F)F)c1 ZINC000262687318 1122715688 /nfs/dbraw/zinc/71/56/88/1122715688.db2.gz CXUNYHZQHCRCBC-SRVKXCTJSA-N -1 0 343.345 3.774 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000918760327 1122908852 /nfs/dbraw/zinc/90/88/52/1122908852.db2.gz OPOXOUMYJBOYJT-QMMMGPOBSA-N -1 0 343.732 3.824 20 0 EHADRM CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)OCC1CCCC1 ZINC000918918502 1122943512 /nfs/dbraw/zinc/94/35/12/1122943512.db2.gz DGQQHRYPCRFTMD-UHFFFAOYSA-N -1 0 347.436 3.558 20 0 EHADRM O=S(=O)(NCc1ccc(Cl)s1)c1cc(Cl)ccc1F ZINC000556378451 1122955137 /nfs/dbraw/zinc/95/51/37/1122955137.db2.gz PIWSWWMMUQYJBQ-UHFFFAOYSA-N -1 0 340.228 3.673 20 0 EHADRM O=C(NCCCSc1ccccc1)c1cc(F)c(F)c([O-])c1F ZINC000498554367 1122969088 /nfs/dbraw/zinc/96/90/88/1122969088.db2.gz KUOGBADJGRADNK-UHFFFAOYSA-N -1 0 341.354 3.722 20 0 EHADRM Cc1cscc1[N-]S(=O)(=O)c1ccc(Br)cc1C ZINC000130633485 1122977394 /nfs/dbraw/zinc/97/73/94/1122977394.db2.gz IKGWXOKYXNDAAU-UHFFFAOYSA-N -1 0 346.271 3.928 20 0 EHADRM CCC/C(C)=C/C(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000920322174 1123357122 /nfs/dbraw/zinc/35/71/22/1123357122.db2.gz ZGJGDQXWOPDIBZ-VQHVLOKHSA-N -1 0 336.240 3.545 20 0 EHADRM CCCCC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)CCC ZINC000920447811 1123370018 /nfs/dbraw/zinc/37/00/18/1123370018.db2.gz YUIABDDPKMRAFU-CQSZACIVSA-N -1 0 340.489 3.537 20 0 EHADRM CC(C)(C(=O)NCc1ccc(O)c(Br)c1)C1CCCC1 ZINC000133931712 1123468399 /nfs/dbraw/zinc/46/83/99/1123468399.db2.gz UOTQKYUUNOHAGQ-UHFFFAOYSA-N -1 0 340.261 3.987 20 0 EHADRM CCn1cc(CC(=O)Nc2cc(C(=O)[O-])ccc2F)c2ccccc21 ZINC000236947411 1123485609 /nfs/dbraw/zinc/48/56/09/1123485609.db2.gz RSYFWNMDMNDZKN-UHFFFAOYSA-N -1 0 340.354 3.680 20 0 EHADRM CC(C)[C@H](CNC(=O)c1c([O-])cc(F)cc1F)Nc1ccccc1 ZINC000066043617 1129125779 /nfs/dbraw/zinc/12/57/79/1129125779.db2.gz NJYVEHIGOGZZBR-HNNXBMFYSA-N -1 0 334.366 3.537 20 0 EHADRM CC(C)[C@H](NC(=O)C[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000013468947 1129127406 /nfs/dbraw/zinc/12/74/06/1129127406.db2.gz HGJVMYXKAOSNPA-HKUYNNGSSA-N -1 0 325.408 3.758 20 0 EHADRM Cc1nc(-c2ncccn2)sc1C(=O)Nc1cccc(Cl)c1[O-] ZINC000077012570 1123529967 /nfs/dbraw/zinc/52/99/67/1123529967.db2.gz SBVFFBYPJHEZFC-UHFFFAOYSA-N -1 0 346.799 3.520 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1C ZINC000134777837 1123553110 /nfs/dbraw/zinc/55/31/10/1123553110.db2.gz QXVVRWHLZPLZBQ-UHFFFAOYSA-N -1 0 341.791 3.791 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H](c2cccc(F)c2)C2CCCC2)o1 ZINC000238035385 1123556816 /nfs/dbraw/zinc/55/68/16/1123556816.db2.gz VIZLGXDEDCBYKD-MRXNPFEDSA-N -1 0 331.343 3.778 20 0 EHADRM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000135393264 1123607580 /nfs/dbraw/zinc/60/75/80/1123607580.db2.gz WVYIFFBCVGMHKA-UHFFFAOYSA-N -1 0 341.791 3.873 20 0 EHADRM O=C(NCc1nc2ccccc2[nH]1)c1c([O-])cc(Cl)cc1Cl ZINC000080024103 1123735008 /nfs/dbraw/zinc/73/50/08/1123735008.db2.gz GCIIBSCBAWJAGF-UHFFFAOYSA-N -1 0 336.178 3.505 20 0 EHADRM CC(C)COc1ccc(C(C)(C)NC(=O)CCCCC(=O)[O-])cc1 ZINC000263293723 1123745069 /nfs/dbraw/zinc/74/50/69/1123745069.db2.gz LZDVXGNGCBODAA-UHFFFAOYSA-N -1 0 335.444 3.718 20 0 EHADRM Cc1ccc(C)c(NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])c1 ZINC000670747769 1123750946 /nfs/dbraw/zinc/75/09/46/1123750946.db2.gz RDTJXHQAZZFAJM-UHFFFAOYSA-N -1 0 325.343 3.586 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)c1 ZINC000080311277 1123750983 /nfs/dbraw/zinc/75/09/83/1123750983.db2.gz DXVPJFNEOPZZGL-UHFFFAOYSA-N -1 0 346.383 3.954 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000615283433 1123772604 /nfs/dbraw/zinc/77/26/04/1123772604.db2.gz VARFMOLMBDFTJS-OAHLLOKOSA-N -1 0 343.427 3.849 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cnn(CCC(C)C)c2C)s1 ZINC000137778026 1123776132 /nfs/dbraw/zinc/77/61/32/1123776132.db2.gz LBRRFNPKHVFSCI-UHFFFAOYSA-N -1 0 341.502 3.662 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@H](CC(C)C)c2cccs2)s1 ZINC000615481751 1123805736 /nfs/dbraw/zinc/80/57/36/1123805736.db2.gz OPLDBTSWRRKMPB-LLVKDONJSA-N -1 0 338.502 3.883 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)/C=C/SCc1ccco1 ZINC000237659939 1123807119 /nfs/dbraw/zinc/80/71/19/1123807119.db2.gz WHPZAWNKPBZXKG-DZZUKKPASA-N -1 0 345.420 3.667 20 0 EHADRM Cc1ccc2c(CC(=O)N3CCCC[C@@H]3CCC(=O)[O-])coc2c1C ZINC000237869893 1123896055 /nfs/dbraw/zinc/89/60/55/1123896055.db2.gz GORSUZBEXTZUOP-MRXNPFEDSA-N -1 0 343.423 3.838 20 0 EHADRM Cc1cc2cc(C(=O)N3CCCC[C@H]3CCC(=O)[O-])oc2cc1C ZINC000237904707 1123908229 /nfs/dbraw/zinc/90/82/29/1123908229.db2.gz PKWVKCVVHDNEQN-HNNXBMFYSA-N -1 0 329.396 3.909 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)CCCc2ccccc2)cc1 ZINC000238000569 1123939692 /nfs/dbraw/zinc/93/96/92/1123939692.db2.gz PGALHJCEEVXUAT-UHFFFAOYSA-N -1 0 341.407 3.892 20 0 EHADRM CCc1c(C)sc(NC(=O)c2ccc3c(c2)COC3)c1C(=O)[O-] ZINC000263484763 1123944454 /nfs/dbraw/zinc/94/44/54/1123944454.db2.gz VIFCUMRHQPWNMJ-UHFFFAOYSA-N -1 0 331.393 3.600 20 0 EHADRM CSc1cc(C(=O)N[C@H](C)[C@H](C)C(=O)[O-])c(Cl)cc1Cl ZINC000263491271 1123952983 /nfs/dbraw/zinc/95/29/83/1123952983.db2.gz WVDAUKGENBVIQL-NKWVEPMBSA-N -1 0 336.240 3.554 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)c2cc3c(s2)CCCCC3)c1 ZINC000238037073 1123954780 /nfs/dbraw/zinc/95/47/80/1123954780.db2.gz LMDHHTRYJRDZAA-UHFFFAOYSA-N -1 0 345.420 3.733 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000238101244 1123979569 /nfs/dbraw/zinc/97/95/69/1123979569.db2.gz USQQPUJSZPRZDQ-HIFRSBDPSA-N -1 0 339.382 3.610 20 0 EHADRM Cc1nc([C@H](C)NC(=O)c2cccc(Cl)c2C)sc1C(=O)[O-] ZINC000263532930 1124014546 /nfs/dbraw/zinc/01/45/46/1124014546.db2.gz NGNSVGUYLFIPQA-VIFPVBQESA-N -1 0 338.816 3.603 20 0 EHADRM Cc1nc([C@H](C)NC(=O)C[C@@H]2CCCCC2(C)C)sc1C(=O)[O-] ZINC000263543271 1124052453 /nfs/dbraw/zinc/05/24/53/1124052453.db2.gz RXIUVGCYLYRZRM-RYUDHWBXSA-N -1 0 338.473 3.933 20 0 EHADRM COc1ccc(-c2cc(C(=O)N[C@H](C)[C@@H](C)C(=O)[O-])sc2C)cc1 ZINC000263548404 1124079032 /nfs/dbraw/zinc/07/90/32/1124079032.db2.gz VFBAHOBZTPPGHJ-GHMZBOCLSA-N -1 0 347.436 3.571 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)N=c1cc(-c2cccs2)[nH][nH]1 ZINC000617365821 1124499924 /nfs/dbraw/zinc/49/99/24/1124499924.db2.gz JVRANPOVPVXFSA-UHFFFAOYSA-N -1 0 332.454 3.701 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N[C@@H]2CCC[C@H]2c2ccccc2)cc1 ZINC000263572389 1124591364 /nfs/dbraw/zinc/59/13/64/1124591364.db2.gz KXDNNEWIKGAFAU-RBUKOAKNSA-N -1 0 337.419 3.770 20 0 EHADRM Cc1nc2cc([N-]S(=O)(=O)c3cc4ccccc4o3)ccc2o1 ZINC000084919754 1124604784 /nfs/dbraw/zinc/60/47/84/1124604784.db2.gz ZJSZECAIMUOTFD-UHFFFAOYSA-N -1 0 328.349 3.683 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cccc(CCC(F)(F)F)c2)CCC1 ZINC000263577177 1124645445 /nfs/dbraw/zinc/64/54/45/1124645445.db2.gz REXFOSZJKWVKMC-UHFFFAOYSA-N -1 0 329.318 3.765 20 0 EHADRM Cc1cc(C)c(NC(=O)CC2(C(=O)[O-])CCC2)c(Br)c1 ZINC000380809997 1124700168 /nfs/dbraw/zinc/70/01/68/1124700168.db2.gz MSNHZVPTEMWDKS-UHFFFAOYSA-N -1 0 340.217 3.649 20 0 EHADRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2ccc(C)o2)s1 ZINC000181511411 1124904110 /nfs/dbraw/zinc/90/41/10/1124904110.db2.gz STZLAEOMAQCDFC-ZDUSSCGKSA-N -1 0 344.436 3.945 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)F)cc1 ZINC000091020539 1124949969 /nfs/dbraw/zinc/94/99/69/1124949969.db2.gz SODBDISYIDINFF-UHFFFAOYSA-N -1 0 345.342 3.579 20 0 EHADRM CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)C=Cc1ccc(F)cc1 ZINC000181803833 1125046197 /nfs/dbraw/zinc/04/61/97/1125046197.db2.gz PYXLEZVBIRNRPK-CMDGGOBGSA-N -1 0 337.347 3.580 20 0 EHADRM CCCCOc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c(C)c1 ZINC000618463686 1125087571 /nfs/dbraw/zinc/08/75/71/1125087571.db2.gz XMECORCXVJWJLP-HZPDHXFCSA-N -1 0 331.412 3.779 20 0 EHADRM CCc1nn(C)cc1C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000092768387 1125161892 /nfs/dbraw/zinc/16/18/92/1125161892.db2.gz VXGRWEZIUNHNLE-UHFFFAOYSA-N -1 0 348.617 3.901 20 0 EHADRM CCc1ccc(NC(=O)CSc2n[n-]c(=S)s2)cc1CC ZINC000182288908 1125243210 /nfs/dbraw/zinc/24/32/10/1125243210.db2.gz BLZYCNUYDRVAFY-UHFFFAOYSA-N -1 0 339.511 3.682 20 0 EHADRM C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)c1c([O-])cccc1F ZINC000618983457 1125256997 /nfs/dbraw/zinc/25/69/97/1125256997.db2.gz KIVNAIURHGHULD-DIFFPNOSSA-N -1 0 349.789 3.787 20 0 EHADRM CC[C@@H]1CC[C@@H](C)N(C(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])C1 ZINC000619136488 1125294980 /nfs/dbraw/zinc/29/49/80/1125294980.db2.gz CHOMIAJNHRUOPK-VXGBXAGGSA-N -1 0 349.381 3.507 20 0 EHADRM Cc1c(-c2cccc(Br)c2)[n-]n([C@@H](C)C(F)(F)F)c1=O ZINC000634631477 1125323174 /nfs/dbraw/zinc/32/31/74/1125323174.db2.gz VVWJDKIEJMLJOM-SFYZADRCSA-N -1 0 349.150 3.582 20 0 EHADRM CN(c1ccccc1)[C@H]1CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000619996432 1125449367 /nfs/dbraw/zinc/44/93/67/1125449367.db2.gz KHDBLVNSBLYBAD-AWEZNQCLSA-N -1 0 348.805 3.536 20 0 EHADRM CC(C)Oc1ccc(F)cc1NC(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC000066965547 1129230012 /nfs/dbraw/zinc/23/00/12/1129230012.db2.gz XBRFVEOJMIBBTD-HNNXBMFYSA-N -1 0 345.370 3.810 20 0 EHADRM CC(C)(Cc1ccccc1Cl)NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000478855809 1129280797 /nfs/dbraw/zinc/28/07/97/1129280797.db2.gz MGKDXSYQZNOSNE-UHFFFAOYSA-N -1 0 349.789 3.928 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)c(F)c1 ZINC000478850928 1129280898 /nfs/dbraw/zinc/28/08/98/1129280898.db2.gz GAWLZXGHHMCAQO-KRWDZBQOSA-N -1 0 345.345 3.934 20 0 EHADRM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1ccccc1C(F)(F)F ZINC000068298007 1129359359 /nfs/dbraw/zinc/35/93/59/1129359359.db2.gz HZQIPCVHCDTCMX-UHFFFAOYSA-N -1 0 349.268 3.713 20 0 EHADRM CC(C)(C)c1ccc(-c2ccc(C(=O)[N-]N3CCCCC3=O)o2)cc1 ZINC000172957687 1129436157 /nfs/dbraw/zinc/43/61/57/1129436157.db2.gz DFHZEEYMCYTHCV-UHFFFAOYSA-N -1 0 340.423 3.901 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1cc(C)cc(C)c1OC ZINC000509062024 1129709327 /nfs/dbraw/zinc/70/93/27/1129709327.db2.gz ZUVJUNFBMIZPFC-UHFFFAOYSA-N -1 0 349.452 3.902 20 0 EHADRM Cc1cc(C(=O)COC(=O)c2c(F)cc([O-])cc2F)c(C)c(C)c1C ZINC000735951205 1131393810 /nfs/dbraw/zinc/39/38/10/1131393810.db2.gz HGPASZZPDSTJEM-UHFFFAOYSA-N -1 0 348.345 3.944 20 0 EHADRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(SC)c1 ZINC000509089599 1129736770 /nfs/dbraw/zinc/73/67/70/1129736770.db2.gz MNUCLLOLCHOVMM-UHFFFAOYSA-N -1 0 341.429 3.747 20 0 EHADRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C)cc(C)c1OC ZINC000509104765 1129750237 /nfs/dbraw/zinc/75/02/37/1129750237.db2.gz YNIMCLZAIKNCSE-UHFFFAOYSA-N -1 0 349.452 3.820 20 0 EHADRM Cc1ccccc1-c1cc(NC(=O)c2c([O-])cc(F)cc2F)n(C)n1 ZINC000673701012 1129800616 /nfs/dbraw/zinc/80/06/16/1129800616.db2.gz JMVLBMOKXZVLAB-UHFFFAOYSA-N -1 0 343.333 3.632 20 0 EHADRM O=C(Nc1cccc(Cn2cccn2)c1)c1cc(F)cc(Cl)c1[O-] ZINC000673923640 1129905925 /nfs/dbraw/zinc/90/59/25/1129905925.db2.gz XCBIKLPETXUBHA-UHFFFAOYSA-N -1 0 345.761 3.682 20 0 EHADRM COc1ccc(-n2nccc2Nc2ccc(C(=O)[O-])c(F)c2F)cc1 ZINC001212512182 1129920145 /nfs/dbraw/zinc/92/01/45/1129920145.db2.gz ZJYBBGFNEYRVJI-UHFFFAOYSA-N -1 0 345.305 3.601 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(O)c(Br)c2)c(F)c1F ZINC001212513543 1129925259 /nfs/dbraw/zinc/92/52/59/1129925259.db2.gz WFXFDZLFZPASTB-UHFFFAOYSA-N -1 0 344.111 3.875 20 0 EHADRM COCCOc1ccc(F)cc1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212513519 1129925262 /nfs/dbraw/zinc/92/52/62/1129925262.db2.gz VBYOHUJCTDZEGG-UHFFFAOYSA-N -1 0 341.285 3.571 20 0 EHADRM COc1ccc(Nc2ccc(C(=O)[O-])c(F)c2F)c2ccncc12 ZINC001212516062 1129928523 /nfs/dbraw/zinc/92/85/23/1129928523.db2.gz XHPUNGCFFPSGOB-UHFFFAOYSA-N -1 0 330.290 3.963 20 0 EHADRM C[C@H]1Cc2cc(Nc3ccc(C(=O)[O-])c(F)c3F)ccc2N(C)C1=O ZINC001212516884 1129929359 /nfs/dbraw/zinc/92/93/59/1129929359.db2.gz YQZUCZQEYWYKMZ-VIFPVBQESA-N -1 0 346.333 3.562 20 0 EHADRM Cc1c(F)cccc1-c1ccc(CN=c2[n-]nc([C@H]3CCCO3)o2)o1 ZINC000347886150 1129980581 /nfs/dbraw/zinc/98/05/81/1129980581.db2.gz RQIBSBGHCWZGTF-MRXNPFEDSA-N -1 0 343.358 3.663 20 0 EHADRM COc1cccc([C@H](C)CC(=O)N=c2ccc(-c3ccccc3)n[n-]2)c1 ZINC000466634964 1129992830 /nfs/dbraw/zinc/99/28/30/1129992830.db2.gz SLENMYGUWYZOOT-OAHLLOKOSA-N -1 0 347.418 3.706 20 0 EHADRM CCc1cc([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)no1 ZINC000674385807 1130081603 /nfs/dbraw/zinc/08/16/03/1130081603.db2.gz ZLIXHCHCKGNVMY-UHFFFAOYSA-N -1 0 342.829 3.906 20 0 EHADRM CCC[C@H](NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-])c1ccc(F)cc1F ZINC000675149574 1130264675 /nfs/dbraw/zinc/26/46/75/1130264675.db2.gz OVTZYIBCNJQWDA-IOASZLSFSA-N -1 0 337.366 3.589 20 0 EHADRM CCn1ccc(-c2nc(-c3ccc4[n-]c(=S)sc4c3)no2)n1 ZINC001212539104 1130331568 /nfs/dbraw/zinc/33/15/68/1130331568.db2.gz CRLJAHRBXWNQMV-UHFFFAOYSA-N -1 0 329.410 3.518 20 0 EHADRM Cc1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cccc1C(F)(F)F ZINC000675431449 1130368203 /nfs/dbraw/zinc/36/82/03/1130368203.db2.gz MZVGRCOJESUGSO-MNOVXSKESA-N -1 0 327.302 3.619 20 0 EHADRM O=C([O-])CCN(CC1CC1)C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000675971848 1130512041 /nfs/dbraw/zinc/51/20/41/1130512041.db2.gz OIAPPAIAKHUKHA-UHFFFAOYSA-N -1 0 347.411 3.881 20 0 EHADRM O=C([O-])CC1(NC(=O)c2ccc(OC3CCCC3)cc2)CCCCC1 ZINC000675998283 1130515610 /nfs/dbraw/zinc/51/56/10/1130515610.db2.gz RIYBAQFDTRPXQC-UHFFFAOYSA-N -1 0 345.439 3.915 20 0 EHADRM Cc1nc2cc(F)ccc2cc1C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC000675993128 1130517410 /nfs/dbraw/zinc/51/74/10/1130517410.db2.gz YMJSYHXWHACIJT-UHFFFAOYSA-N -1 0 344.386 3.542 20 0 EHADRM COc1ccc(CCCCCC(=O)NCC2(C(=O)[O-])CCCC2)cc1 ZINC000676023646 1130518322 /nfs/dbraw/zinc/51/83/22/1130518322.db2.gz LOFMDEMMMZZBKE-UHFFFAOYSA-N -1 0 347.455 3.559 20 0 EHADRM Cc1cc(F)cc([N-]S(=O)(=O)c2c(C)ccc3ncccc32)c1 ZINC000676314324 1130564057 /nfs/dbraw/zinc/56/40/57/1130564057.db2.gz TZMRFVZPQZZUNZ-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H](CC)C(C)C)cc1 ZINC000729887053 1130652581 /nfs/dbraw/zinc/65/25/81/1130652581.db2.gz PSDLSGVWCYRGMU-OAHLLOKOSA-N -1 0 325.474 3.516 20 0 EHADRM CO[N-]C(=O)[C@H](Oc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000730209540 1130688839 /nfs/dbraw/zinc/68/88/39/1130688839.db2.gz YILSKOKRIZJGPV-CQSZACIVSA-N -1 0 326.179 3.791 20 0 EHADRM O=C(NCc1cccc(Cl)c1Cl)c1n[n-]c2ccccc2c1=O ZINC000732267654 1130907135 /nfs/dbraw/zinc/90/71/35/1130907135.db2.gz OZVZVHOUOOQFCF-UHFFFAOYSA-N -1 0 348.189 3.572 20 0 EHADRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cc2cc(Cl)ccc2o1 ZINC000732909289 1130969143 /nfs/dbraw/zinc/96/91/43/1130969143.db2.gz YYSHIYLBFVQLSY-SNVBAGLBSA-N -1 0 343.832 3.582 20 0 EHADRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)CCCCCc1cccs1 ZINC000732906158 1130969601 /nfs/dbraw/zinc/96/96/01/1130969601.db2.gz NHYNDHFPXPDMSA-CQSZACIVSA-N -1 0 345.530 3.733 20 0 EHADRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1cc2c(cccc2F)s1 ZINC000732904181 1130972157 /nfs/dbraw/zinc/97/21/57/1130972157.db2.gz HTLGVVPKWMHXDU-JTQLQIEISA-N -1 0 343.445 3.536 20 0 EHADRM CCC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccccc1C ZINC000733677228 1131065998 /nfs/dbraw/zinc/06/59/98/1131065998.db2.gz VIHOQYKJNDNCDN-INIZCTEOSA-N -1 0 337.485 3.797 20 0 EHADRM CCC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cccc(C)c1 ZINC000733676295 1131066247 /nfs/dbraw/zinc/06/62/47/1131066247.db2.gz VELKGYNJTIQVRC-MRXNPFEDSA-N -1 0 337.485 3.797 20 0 EHADRM CC(C)Sc1ccccc1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000347987812 1131110666 /nfs/dbraw/zinc/11/06/66/1131110666.db2.gz CJIMIRHYQNGLCO-UHFFFAOYSA-N -1 0 345.420 3.903 20 0 EHADRM C[C@H]1CCCC[C@@H]1CCNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000734017158 1131184115 /nfs/dbraw/zinc/18/41/15/1131184115.db2.gz CXGJBGWYLMUAFI-NWDGAFQWSA-N -1 0 345.468 3.570 20 0 EHADRM CC(C)C[C@H](C(=O)[N-]S(=O)(=O)C1CCCCC1)c1ccccc1 ZINC000741113803 1131577077 /nfs/dbraw/zinc/57/70/77/1131577077.db2.gz RHVWPPWCLOPIOW-KRWDZBQOSA-N -1 0 337.485 3.595 20 0 EHADRM C[C@@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1ccccc1C(C)(C)C ZINC000742029749 1131684820 /nfs/dbraw/zinc/68/48/20/1131684820.db2.gz IJFTUYACAYCRRE-ZDUSSCGKSA-N -1 0 347.484 3.952 20 0 EHADRM COc1ccc(CN(C)C(=O)c2ccc3[n-]c(=S)oc3c2)cc1F ZINC000742239785 1131700091 /nfs/dbraw/zinc/70/00/91/1131700091.db2.gz FGTTZMVBLWPUOR-UHFFFAOYSA-N -1 0 346.383 3.536 20 0 EHADRM CS[C@@H]1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000742326843 1131705890 /nfs/dbraw/zinc/70/58/90/1131705890.db2.gz AWXKFWHWSYCLSW-DTWKUNHWSA-N -1 0 340.297 3.556 20 0 EHADRM Cc1ccc(N2CCC[C@@H](NC(=O)c3ccc([O-])c(Cl)c3)C2)cc1 ZINC000743718733 1131970695 /nfs/dbraw/zinc/97/06/95/1131970695.db2.gz RCNBIVZXHUQHRW-OAHLLOKOSA-N -1 0 344.842 3.753 20 0 EHADRM CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000744109483 1132020812 /nfs/dbraw/zinc/02/08/12/1132020812.db2.gz WSENYWNRBRBJRC-AWEZNQCLSA-N -1 0 348.468 3.646 20 0 EHADRM O=S(=O)([O-])c1cc(O)c2ccc(Nc3ccccc3F)cc2c1 ZINC001173847278 1132154283 /nfs/dbraw/zinc/15/42/83/1132154283.db2.gz WAOAXYUBPXHACT-UHFFFAOYSA-N -1 0 333.340 3.675 20 0 EHADRM COc1ccc(C)cc1Nc1cc(S(=O)(=O)[O-])ccc1Cl ZINC001173985955 1132195034 /nfs/dbraw/zinc/19/50/34/1132195034.db2.gz HVXMKPXTXPPKQJ-UHFFFAOYSA-N -1 0 327.789 3.647 20 0 EHADRM Cc1cc(C)c(Nc2ccc3c(ccn3C)c2)c(S(=O)(=O)[O-])c1 ZINC001174099770 1132227374 /nfs/dbraw/zinc/22/73/74/1132227374.db2.gz PUXSJWPTLITUBO-UHFFFAOYSA-N -1 0 330.409 3.785 20 0 EHADRM COc1ccc(F)c(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)c1 ZINC001174209079 1132286814 /nfs/dbraw/zinc/28/68/14/1132286814.db2.gz PQUJCDGYUWEEHA-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM CCC[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C)cc1F)c1ccccc1 ZINC000745967426 1132340726 /nfs/dbraw/zinc/34/07/26/1132340726.db2.gz MARXTARUKYEZJB-HNNXBMFYSA-N -1 0 349.427 3.523 20 0 EHADRM CC(C)(O)c1cccc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)c1 ZINC001174408720 1132365429 /nfs/dbraw/zinc/36/54/29/1132365429.db2.gz ZMZIWLBINIMMMJ-UHFFFAOYSA-N -1 0 341.816 3.558 20 0 EHADRM Cc1ccnc(Br)c1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174495153 1132370765 /nfs/dbraw/zinc/37/07/65/1132370765.db2.gz MCWGOXVXXBGFKW-AATRIKPKSA-N -1 0 333.185 3.994 20 0 EHADRM O=C(NCCCCc1ccccc1)c1ccc2[n-]c(=S)oc2c1 ZINC000746108124 1132374102 /nfs/dbraw/zinc/37/41/02/1132374102.db2.gz HVIGQDNLVZFGQZ-UHFFFAOYSA-N -1 0 326.421 3.869 20 0 EHADRM COC(=O)c1c(Cl)cccc1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174500541 1132390474 /nfs/dbraw/zinc/39/04/74/1132390474.db2.gz UWQPOWVEFFJTLP-CMDGGOBGSA-N -1 0 331.755 3.968 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCCc2sccc2C1 ZINC000746233978 1132393132 /nfs/dbraw/zinc/39/31/32/1132393132.db2.gz NTNFMFCZDIVOKO-UHFFFAOYSA-N -1 0 330.434 3.767 20 0 EHADRM Cc1ccc([C@@H](C)CNC(=O)c2ccc3[n-]c(=S)oc3c2)cc1 ZINC000746284082 1132398072 /nfs/dbraw/zinc/39/80/72/1132398072.db2.gz FYAOKWWZAPUUTK-LBPRGKRZSA-N -1 0 326.421 3.958 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cncc(N2CCCCC2)c1 ZINC001174674801 1132432985 /nfs/dbraw/zinc/43/29/85/1132432985.db2.gz MFSFSYWYWMYEQJ-UHFFFAOYSA-N -1 0 327.384 3.522 20 0 EHADRM COc1cc(Nc2cc(N)cc(C(F)(F)F)c2)ccc1C(=O)[O-] ZINC001174684814 1132435698 /nfs/dbraw/zinc/43/56/98/1132435698.db2.gz HCOQZCUAGCJECZ-UHFFFAOYSA-N -1 0 326.274 3.738 20 0 EHADRM COc1cc(Nc2ccc(OC3CCOCC3)cc2)ccc1C(=O)[O-] ZINC001174687095 1132436619 /nfs/dbraw/zinc/43/66/19/1132436619.db2.gz NRVSWYORSCOXJA-UHFFFAOYSA-N -1 0 343.379 3.695 20 0 EHADRM Cc1cc(-n2cccn2)ccc1NS(=O)(=O)c1ccccc1Cl ZINC000190373202 1132453939 /nfs/dbraw/zinc/45/39/39/1132453939.db2.gz BWQYGDSFTHNRRV-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM CCOc1n[nH]c(NC(=O)c2ccccc2Sc2ccccc2)n1 ZINC001174744987 1132464884 /nfs/dbraw/zinc/46/48/84/1132464884.db2.gz KPKBBBAZLSWFOE-UHFFFAOYSA-N -1 0 340.408 3.607 20 0 EHADRM COc1ccc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)cc1C ZINC001174835834 1132476016 /nfs/dbraw/zinc/47/60/16/1132476016.db2.gz XXVANQLHHSLFBD-UHFFFAOYSA-N -1 0 327.789 3.647 20 0 EHADRM O=C([O-])c1ccc(Nc2ccnc3ccc(Br)cc32)s1 ZINC001174805776 1132477717 /nfs/dbraw/zinc/47/77/17/1132477717.db2.gz YEJFRNBLHIFOQE-UHFFFAOYSA-N -1 0 349.209 3.923 20 0 EHADRM CCOC(=O)c1sc2ncccc2c1Nc1ccc(C(=O)[O-])s1 ZINC001174805251 1132478448 /nfs/dbraw/zinc/47/84/48/1132478448.db2.gz OXZWJZZMRLUZIE-UHFFFAOYSA-N -1 0 348.405 3.976 20 0 EHADRM CN(C)c1ccc(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)cc1 ZINC001174880882 1132494327 /nfs/dbraw/zinc/49/43/27/1132494327.db2.gz NOTQKMSAPCGRSU-UHFFFAOYSA-N -1 0 342.420 3.896 20 0 EHADRM Cc1cc(C)c(/C=C/C(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1C ZINC000746373699 1132502102 /nfs/dbraw/zinc/50/21/02/1132502102.db2.gz CRCGCUNHQPNCCL-RUDMXATFSA-N -1 0 339.391 3.727 20 0 EHADRM Cc1cc(C)c(/C=C\C(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1C ZINC000746373700 1132502242 /nfs/dbraw/zinc/50/22/42/1132502242.db2.gz CRCGCUNHQPNCCL-WTKPLQERSA-N -1 0 339.391 3.727 20 0 EHADRM Cc1cc(Nc2ccc(CC(=O)[O-])cc2)n(Cc2ccc(F)cc2)n1 ZINC001174948889 1132515675 /nfs/dbraw/zinc/51/56/75/1132515675.db2.gz AXUNUZJJGCJMEC-UHFFFAOYSA-N -1 0 339.370 3.750 20 0 EHADRM Nc1cc(F)cc(C(F)(F)F)c1Nc1ccc(CC(=O)[O-])cc1 ZINC001174954605 1132517284 /nfs/dbraw/zinc/51/72/84/1132517284.db2.gz JTPRFOGOYUJMRT-UHFFFAOYSA-N -1 0 328.265 3.797 20 0 EHADRM CN(C)c1cccc(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)c1 ZINC001174963911 1132520223 /nfs/dbraw/zinc/52/02/23/1132520223.db2.gz ZEPFDBXRDRMUNG-UHFFFAOYSA-N -1 0 342.420 3.896 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)c2cc3cc(C)ccc3o2)c(C)s1 ZINC000746431979 1132523275 /nfs/dbraw/zinc/52/32/75/1132523275.db2.gz GYBSSUPKNVMBAT-UHFFFAOYSA-N -1 0 349.433 3.538 20 0 EHADRM COc1ccc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])c(F)c1F ZINC001175023239 1132532584 /nfs/dbraw/zinc/53/25/84/1132532584.db2.gz RZTRXYPUFVSJTE-UHFFFAOYSA-N -1 0 349.742 3.617 20 0 EHADRM O=C([N-]S(=O)(=O)CC1CCCCC1)c1occc1-c1ccccc1 ZINC000746445762 1132534341 /nfs/dbraw/zinc/53/43/41/1132534341.db2.gz GSMFETIFUCOIDT-UHFFFAOYSA-N -1 0 347.436 3.587 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1ncc(F)cc1Br ZINC001174982189 1132535509 /nfs/dbraw/zinc/53/55/09/1132535509.db2.gz VOLXKGOHGFATHQ-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM COc1ccnc(Br)c1Nc1cc(C(=O)[O-])ccc1C ZINC001174983832 1132535683 /nfs/dbraw/zinc/53/56/83/1132535683.db2.gz SSSAMWHZDVIBAL-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM CC(C)[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1ccsc1 ZINC000766444174 1132545750 /nfs/dbraw/zinc/54/57/50/1132545750.db2.gz AWQOCKPJLIPCPT-HNNXBMFYSA-N -1 0 343.514 3.796 20 0 EHADRM O=S(=O)([O-])c1cccc(Nc2ccc(F)cc2C(F)(F)F)c1 ZINC001175100811 1132552821 /nfs/dbraw/zinc/55/28/21/1132552821.db2.gz DSTJMUPIAADBCD-UHFFFAOYSA-N -1 0 335.278 3.835 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(Br)ccc2O)cc1F ZINC001175156726 1132569663 /nfs/dbraw/zinc/56/96/63/1132569663.db2.gz KSIVFYBXXPVXAA-UHFFFAOYSA-N -1 0 326.121 3.736 20 0 EHADRM CCNc1ccc(C(=O)OCC)cc1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175157593 1132569684 /nfs/dbraw/zinc/56/96/84/1132569684.db2.gz JTRISYDAATXBPR-UHFFFAOYSA-N -1 0 346.358 3.876 20 0 EHADRM Cc1cnc(Nc2ccc(C(=O)[O-])c(F)c2)c(Br)c1 ZINC001175155526 1132570001 /nfs/dbraw/zinc/57/00/01/1132570001.db2.gz VOQNJOCKTNZFAE-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM COCCCOc1ccc(Nc2ccc(C(=O)[O-])c(F)c2)cc1F ZINC001175158152 1132570007 /nfs/dbraw/zinc/57/00/07/1132570007.db2.gz OHNOVIPMYXDCAT-UHFFFAOYSA-N -1 0 337.322 3.822 20 0 EHADRM CC1(C)Cc2c(Nc3ccc(C(=O)[O-])c(F)c3)cccc2NC1=O ZINC001175161241 1132571901 /nfs/dbraw/zinc/57/19/01/1132571901.db2.gz CKGURUWPHUSHCZ-UHFFFAOYSA-N -1 0 328.343 3.788 20 0 EHADRM CC(C)c1cc(CNc2ccc(Br)cc2C(=O)[O-])on1 ZINC001168827593 1132572237 /nfs/dbraw/zinc/57/22/37/1132572237.db2.gz OHPVNGKTSRMWLP-UHFFFAOYSA-N -1 0 339.189 3.871 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2cccc(O[C@H]3CCCCO3)c2)cc1 ZINC001175187601 1132593265 /nfs/dbraw/zinc/59/32/65/1132593265.db2.gz PPILOUCZAYLCMI-KRWDZBQOSA-N -1 0 349.408 3.582 20 0 EHADRM CC(C)(C)c1nc2ccc(Nc3ccc(F)c(C(=O)[O-])c3)cn2n1 ZINC001175219592 1132597801 /nfs/dbraw/zinc/59/78/01/1132597801.db2.gz APSRGTNFJLBXRA-UHFFFAOYSA-N -1 0 328.347 3.608 20 0 EHADRM Cc1cc(Nc2ccc(C(=O)[O-])c(Cl)c2)n(C2CCOCC2)n1 ZINC001175314053 1132635026 /nfs/dbraw/zinc/63/50/26/1132635026.db2.gz AUUNMWYGCCXEHD-UHFFFAOYSA-N -1 0 335.791 3.638 20 0 EHADRM COC(=O)c1cnc(Cl)cc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175316409 1132635749 /nfs/dbraw/zinc/63/57/49/1132635749.db2.gz OGTSCJPRMOBYOW-UHFFFAOYSA-N -1 0 341.150 3.617 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(N3CCOCC3)cc2)cc1Cl ZINC001175316270 1132636239 /nfs/dbraw/zinc/63/62/39/1132636239.db2.gz OKAFLNUAYMMQPP-UHFFFAOYSA-N -1 0 332.787 3.618 20 0 EHADRM CC1(C)NC(=O)Cc2cc(Nc3ccc(C(=O)[O-])c(Cl)c3)ccc21 ZINC001175321074 1132638364 /nfs/dbraw/zinc/63/83/64/1132638364.db2.gz PPDLOCULQATYPC-UHFFFAOYSA-N -1 0 344.798 3.689 20 0 EHADRM O=C([O-])c1cccc(Nc2ccc(C(=O)NCc3ccco3)cc2)c1 ZINC001175329075 1132640048 /nfs/dbraw/zinc/64/00/48/1132640048.db2.gz HTXMWPGPXCQAOX-UHFFFAOYSA-N -1 0 336.347 3.651 20 0 EHADRM Cn1nc(Br)c2cccc(Nc3cccc(C(=O)[O-])c3)c21 ZINC001175332813 1132640683 /nfs/dbraw/zinc/64/06/83/1132640683.db2.gz WNEAFOWNLBVZAC-UHFFFAOYSA-N -1 0 346.184 3.778 20 0 EHADRM O=C([O-])c1cccc(Nc2ccn3c(Br)cnc3c2)c1 ZINC001175330603 1132641022 /nfs/dbraw/zinc/64/10/22/1132641022.db2.gz MYLZPLFOFGIWRU-UHFFFAOYSA-N -1 0 332.157 3.539 20 0 EHADRM CC(C)(C)OC(=O)N1CCC[C@H]1c1cc([N-]c2cncs2)on1 ZINC001175497255 1132683112 /nfs/dbraw/zinc/68/31/12/1132683112.db2.gz RBLJYGXCSHYPLF-NSHDSACASA-N -1 0 336.417 3.947 20 0 EHADRM O=C(CNC(=O)c1cccc(C(F)(F)F)c1[O-])CC1CCCCC1 ZINC001175545119 1132689263 /nfs/dbraw/zinc/68/92/63/1132689263.db2.gz XLVJMEMURXPDAB-UHFFFAOYSA-N -1 0 343.345 3.680 20 0 EHADRM CC(C)(C)OC(=O)c1cccc(Nc2ccc(S(=O)(=O)[O-])cc2)c1 ZINC001175544272 1132689416 /nfs/dbraw/zinc/68/94/16/1132689416.db2.gz GALHNFLBWPJRNJ-UHFFFAOYSA-N -1 0 349.408 3.632 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)Nc1nccc(Br)c1[O-] ZINC001169382549 1132739318 /nfs/dbraw/zinc/73/93/18/1132739318.db2.gz HUHZEZQJCIQPLF-UHFFFAOYSA-N -1 0 341.592 3.764 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2ccc(-c3ccccc3)nc2)cc1 ZINC001175834004 1132772084 /nfs/dbraw/zinc/77/20/84/1132772084.db2.gz MUAQKZXUWXGCQI-UHFFFAOYSA-N -1 0 326.377 3.739 20 0 EHADRM CC(=O)Nc1cc(Cl)c(Cl)cc1Nc1cncc(C(=O)[O-])c1 ZINC001175841709 1132772582 /nfs/dbraw/zinc/77/25/82/1132772582.db2.gz SPGMFNQRDVCMQG-UHFFFAOYSA-N -1 0 340.166 3.789 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1cc([N+](=O)[O-])ccc1F ZINC000145099015 1132789471 /nfs/dbraw/zinc/78/94/71/1132789471.db2.gz JGFXLATXWBFFEN-UHFFFAOYSA-N -1 0 345.113 3.999 20 0 EHADRM Cc1cc(NC(=O)c2cccc(C(F)(F)F)c2[O-])cc(O)c1C ZINC001176276030 1132887941 /nfs/dbraw/zinc/88/79/41/1132887941.db2.gz GEUDZTQQWHLUKE-UHFFFAOYSA-N -1 0 325.286 3.986 20 0 EHADRM Cc1ccc(SC(F)(F)F)cc1Nc1cnn(CC(=O)[O-])c1 ZINC001176270273 1132899591 /nfs/dbraw/zinc/89/95/91/1132899591.db2.gz WXTBHDJSILTOLS-UHFFFAOYSA-N -1 0 331.319 3.632 20 0 EHADRM O=C([O-])c1cc(Nc2cccc(C(=O)N3CCCCC3)c2)cs1 ZINC001176439732 1132929547 /nfs/dbraw/zinc/92/95/47/1132929547.db2.gz ZITXQQPVFYKOBY-UHFFFAOYSA-N -1 0 330.409 3.816 20 0 EHADRM CCOC(=O)c1cnc2c(cccc2Nc2csc(C(=O)[O-])c2)c1 ZINC001176440705 1132929708 /nfs/dbraw/zinc/92/97/08/1132929708.db2.gz LIMOYYDKDCYRNM-UHFFFAOYSA-N -1 0 342.376 3.915 20 0 EHADRM O=S(=O)([O-])c1ccc2c(cccc2Nc2ccc(O)cc2F)c1 ZINC001176414328 1132933734 /nfs/dbraw/zinc/93/37/34/1132933734.db2.gz UQMGJARQFBLPHC-UHFFFAOYSA-N -1 0 333.340 3.675 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3ccc4c(c3)OCCCO4)cc2)CC1 ZINC001176586130 1132960746 /nfs/dbraw/zinc/96/07/46/1132960746.db2.gz CKUBBJDAPKCCNI-UHFFFAOYSA-N -1 0 325.364 3.708 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3cnccc3Br)cc2)CC1 ZINC001176584280 1132961030 /nfs/dbraw/zinc/96/10/30/1132961030.db2.gz HKJCCOQEBWNROP-UHFFFAOYSA-N -1 0 333.185 3.704 20 0 EHADRM COc1cc(OC)c(F)c(Nc2ccc(/C=C/C(=O)[O-])cc2)c1F ZINC001176592419 1132963789 /nfs/dbraw/zinc/96/37/89/1132963789.db2.gz DOGNKSQJGWVWHX-VMPITWQZSA-N -1 0 335.306 3.823 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC001176642633 1132975681 /nfs/dbraw/zinc/97/56/81/1132975681.db2.gz CIESVOPRAGYCCS-UHFFFAOYSA-N -1 0 333.287 3.576 20 0 EHADRM CC(C)Oc1ncccc1Nc1ccc(Cl)cc1S(=O)(=O)[O-] ZINC001176732644 1132988824 /nfs/dbraw/zinc/98/88/24/1132988824.db2.gz RPYMTXPNCYNTCU-UHFFFAOYSA-N -1 0 342.804 3.513 20 0 EHADRM O=C([O-])c1ccc(Nc2ccccc2-c2nc(CO)cs2)cc1 ZINC001176713539 1132995139 /nfs/dbraw/zinc/99/51/39/1132995139.db2.gz JYDBJFDMORTVJT-UHFFFAOYSA-N -1 0 326.377 3.744 20 0 EHADRM COC(=O)c1cc(Cl)nc(Cl)c1Nc1ccc(C(=O)[O-])cc1 ZINC001176710867 1132995503 /nfs/dbraw/zinc/99/55/03/1132995503.db2.gz HYVAFGZXEHACAQ-UHFFFAOYSA-N -1 0 341.150 3.617 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)C[C@@H]1CCCC[C@H]1C ZINC000767572593 1133021334 /nfs/dbraw/zinc/02/13/34/1133021334.db2.gz XOCLWTOFXJATSZ-YPMHNXCESA-N -1 0 343.876 3.670 20 0 EHADRM Cc1oc2ccccc2c1C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1 ZINC000767989237 1133079496 /nfs/dbraw/zinc/07/94/96/1133079496.db2.gz DBEDKVKZWOFTGF-ZDUSSCGKSA-N -1 0 343.404 3.562 20 0 EHADRM CC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1cc(C)ccc1Cl ZINC000780420316 1133132842 /nfs/dbraw/zinc/13/28/42/1133132842.db2.gz KWXTYFSBKNYHII-UHFFFAOYSA-N -1 0 337.828 3.960 20 0 EHADRM Cc1cnc(C(=O)Nc2nc3c(s2)CCc2sccc2-3)c([O-])c1 ZINC001178312616 1133158676 /nfs/dbraw/zinc/15/86/76/1133158676.db2.gz OLZGOUYHRAUWHQ-UHFFFAOYSA-N -1 0 343.433 3.632 20 0 EHADRM CC(=O)c1cc(F)c([O-])c(NC(=O)[C@H](C)Cc2ccccc2C)c1 ZINC001178432968 1133163843 /nfs/dbraw/zinc/16/38/43/1133163843.db2.gz ITPPPSVZNIIXDV-GFCCVEGCSA-N -1 0 329.371 3.860 20 0 EHADRM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(C(=O)Nc2ccccc2[S-])C1 ZINC001179278949 1133242703 /nfs/dbraw/zinc/24/27/03/1133242703.db2.gz RKJSHLAGCKENCI-KPZWWZAWSA-N -1 0 348.468 3.561 20 0 EHADRM CC(C)Oc1cc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)ccn1 ZINC000769245503 1133250277 /nfs/dbraw/zinc/25/02/77/1133250277.db2.gz HEZBTPLDQZSRPD-UHFFFAOYSA-N -1 0 329.381 3.551 20 0 EHADRM O=C(COc1ccccc1Cl)Nc1ccc2[n-]c(=S)oc2c1 ZINC000769245282 1133250430 /nfs/dbraw/zinc/25/04/30/1133250430.db2.gz GZHJJTDZMYAAMO-UHFFFAOYSA-N -1 0 334.784 3.787 20 0 EHADRM CC(C)(C)OC(=O)N1CCC[C@@]1(C)C(=O)Nc1ccccc1[S-] ZINC001179646756 1133266779 /nfs/dbraw/zinc/26/67/79/1133266779.db2.gz UWOBABOPUKAOLL-KRWDZBQOSA-N -1 0 336.457 3.703 20 0 EHADRM CON(C(=O)c1c([O-])cc(F)cc1F)[C@@H]1CCCOc2ccccc21 ZINC000769404433 1133278254 /nfs/dbraw/zinc/27/82/54/1133278254.db2.gz VHEUOHCSQYIONK-CQSZACIVSA-N -1 0 349.333 3.588 20 0 EHADRM Cc1ccc(NC(=O)c2c([O-])cccc2Cl)cc1N1CCOC1=O ZINC000769938204 1133370096 /nfs/dbraw/zinc/37/00/96/1133370096.db2.gz MWAIUEAIWCTBHI-UHFFFAOYSA-N -1 0 346.770 3.563 20 0 EHADRM COc1ccc(F)cc1[C@@H](C)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000746131508 1133487722 /nfs/dbraw/zinc/48/77/22/1133487722.db2.gz ZTVXQVPJGGOVGY-SECBINFHSA-N -1 0 346.383 3.755 20 0 EHADRM C[C@H](CC(C)(C)C)C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000773922581 1133488001 /nfs/dbraw/zinc/48/80/01/1133488001.db2.gz QNZOXMMYSOOMGW-CYBMUJFWSA-N -1 0 333.453 3.717 20 0 EHADRM O=C(N[C@@H]1CSc2ccccc21)c1ccc2[n-]c(=S)oc2c1 ZINC000746283021 1133505089 /nfs/dbraw/zinc/50/50/89/1133505089.db2.gz ZHUDAZPXDCOEDZ-GFCCVEGCSA-N -1 0 328.418 3.693 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)c3c([O-])cccc3F)c2)[nH]c1C ZINC000772368693 1133679324 /nfs/dbraw/zinc/67/93/24/1133679324.db2.gz WUSYAHYGYCOVAS-UHFFFAOYSA-N -1 0 325.343 3.791 20 0 EHADRM O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1cc(F)cc(Cl)c1[O-] ZINC001182551640 1133695599 /nfs/dbraw/zinc/69/55/99/1133695599.db2.gz GNTQTUSZRWWAPH-HOTGVXAUSA-N -1 0 349.789 3.835 20 0 EHADRM O=C([O-])/C=C/c1cnc(/C=C\c2c(C3CC3)nc3sccn23)s1 ZINC000774554573 1133740800 /nfs/dbraw/zinc/74/08/00/1133740800.db2.gz AFPWEIUHKZFVNH-XNYOYJNRSA-N -1 0 343.433 3.998 20 0 EHADRM COc1ncc(NC(=O)Cc2ccc([S-])cc2)cc1C(F)(F)F ZINC001183186370 1133776523 /nfs/dbraw/zinc/77/65/23/1133776523.db2.gz QKPXMODZTJFWFS-UHFFFAOYSA-N -1 0 342.342 3.579 20 0 EHADRM O=C([N-]CCCSCc1cccc(Cl)c1F)C(F)(F)F ZINC000786145253 1133806009 /nfs/dbraw/zinc/80/60/09/1133806009.db2.gz NBRQFVDUSLGYEU-UHFFFAOYSA-N -1 0 329.746 3.781 20 0 EHADRM O=C(CCCc1nc2ccccc2[nH]1)Nc1ccc(F)c(F)c1[O-] ZINC001183658188 1133842965 /nfs/dbraw/zinc/84/29/65/1133842965.db2.gz DNCGPNPNRZEQEU-UHFFFAOYSA-N -1 0 331.322 3.508 20 0 EHADRM O=C(CCOc1ccccc1)NOC/C=C/c1ccc(Cl)cc1 ZINC000786741475 1133893818 /nfs/dbraw/zinc/89/38/18/1133893818.db2.gz NPPZFSJBARYUMJ-SNAWJCMRSA-N -1 0 331.799 3.870 20 0 EHADRM CCOCCO[N-]C(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000772699487 1133984876 /nfs/dbraw/zinc/98/48/76/1133984876.db2.gz OZOCTHRFHJWKMS-UHFFFAOYSA-N -1 0 345.361 3.602 20 0 EHADRM C[C@@H](Oc1cccc(/C=C2\C(=O)Nc3ccc(Cl)cc32)c1)C(=O)[O-] ZINC000746682469 1134005380 /nfs/dbraw/zinc/00/53/80/1134005380.db2.gz AWINJOXWCLGYJF-IIBSKXHVSA-N -1 0 343.766 3.685 20 0 EHADRM C[C@H](Oc1cccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)c1)C(=O)[O-] ZINC000746682466 1134005502 /nfs/dbraw/zinc/00/55/02/1134005502.db2.gz AWINJOXWCLGYJF-CYANDVJASA-N -1 0 343.766 3.685 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)[C@@H]1CCCN1c1ccccc1 ZINC000787436847 1134009850 /nfs/dbraw/zinc/00/98/50/1134009850.db2.gz JLAMGTUOQCIDQG-HNNXBMFYSA-N -1 0 339.420 3.724 20 0 EHADRM O=C(C=C([O-])c1ccccc1Cl)N1CCO[C@@H](c2ccccc2)C1 ZINC001185428844 1134084024 /nfs/dbraw/zinc/08/40/24/1134084024.db2.gz NYEOTBAPWQJLNC-GOSISDBHSA-N -1 0 343.810 3.513 20 0 EHADRM O=C(C=C([O-])c1ccccc1Cl)NCc1sccc1Cl ZINC001185443920 1134086840 /nfs/dbraw/zinc/08/68/40/1134086840.db2.gz HBBVLDUJGBKHSS-UHFFFAOYSA-N -1 0 328.220 3.944 20 0 EHADRM COc1cccc(OC)c1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185454900 1134090245 /nfs/dbraw/zinc/09/02/45/1134090245.db2.gz UMCHGGCNAPQXFC-UHFFFAOYSA-N -1 0 349.433 3.719 20 0 EHADRM Cn1cc2cc([N-]S(=O)(=O)c3cc4ccccc4s3)ccc2n1 ZINC001185454298 1134090782 /nfs/dbraw/zinc/09/07/82/1134090782.db2.gz MFDRZDOWLAGWNC-UHFFFAOYSA-N -1 0 343.433 3.589 20 0 EHADRM O=C1CCc2cc([N-]S(=O)(=O)c3cc4ccccc4s3)ccc21 ZINC001185460827 1134092230 /nfs/dbraw/zinc/09/22/30/1134092230.db2.gz YBJNFAAWUASUNF-UHFFFAOYSA-N -1 0 343.429 3.831 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(C(F)F)cn2)ccc1Cl ZINC001185500184 1134100252 /nfs/dbraw/zinc/10/02/52/1134100252.db2.gz YPQPZHTWKOQSBX-UHFFFAOYSA-N -1 0 332.759 3.782 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)Nc1ccc(F)cc1F)C(=O)[O-] ZINC000788315104 1134112994 /nfs/dbraw/zinc/11/29/94/1134112994.db2.gz MVEDAOBRSASWGB-MRXNPFEDSA-N -1 0 328.359 3.900 20 0 EHADRM Cc1cc(Cl)nc(Cl)c1NS(=O)(=O)c1cccc(F)c1C ZINC001185796133 1134133762 /nfs/dbraw/zinc/13/37/62/1134133762.db2.gz CVLKWVZUVMYOEH-UHFFFAOYSA-N -1 0 349.214 3.945 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(C(C)(C)C)ccc1O ZINC001185829696 1134138048 /nfs/dbraw/zinc/13/80/48/1134138048.db2.gz XIJLNZJCZNFDAS-UHFFFAOYSA-N -1 0 337.416 3.938 20 0 EHADRM CCN(C(=O)c1nn(-c2ccccc2)cc1[O-])c1ccc2[nH]ccc2c1 ZINC000788550984 1134141833 /nfs/dbraw/zinc/14/18/33/1134141833.db2.gz DEPKNBVEPQSTNR-UHFFFAOYSA-N -1 0 346.390 3.726 20 0 EHADRM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2onc(C3CC3)c2Cl)s1 ZINC001185920249 1134151109 /nfs/dbraw/zinc/15/11/09/1134151109.db2.gz VKFQGGFZYUDHGL-QMMMGPOBSA-N -1 0 346.861 3.615 20 0 EHADRM Nc1cc(Br)ncc1Nc1c(F)ccc(O)c1Cl ZINC001250228952 1134168867 /nfs/dbraw/zinc/16/88/67/1134168867.db2.gz QLAWWTATCHVHPR-UHFFFAOYSA-N -1 0 332.560 3.668 20 0 EHADRM O=C(Nc1ccc2nnc(-c3ccccc3)n2c1)c1cccc([S-])c1 ZINC001186130422 1134172374 /nfs/dbraw/zinc/17/23/74/1134172374.db2.gz SPZLSEOTSXGAFA-UHFFFAOYSA-N -1 0 346.415 3.937 20 0 EHADRM O=C(Nc1cccn2c(Br)cnc12)c1cccc([S-])c1 ZINC001186130104 1134172388 /nfs/dbraw/zinc/17/23/88/1134172388.db2.gz BYFDJOOYWDYLCK-UHFFFAOYSA-N -1 0 348.225 3.638 20 0 EHADRM COc1cc(NC(=O)c2cccc([S-])c2)ncc1C(F)(F)F ZINC001186130677 1134173202 /nfs/dbraw/zinc/17/32/02/1134173202.db2.gz WBEFSFAGRZQJBO-UHFFFAOYSA-N -1 0 328.315 3.650 20 0 EHADRM O=S(=O)(Cc1ccccc1Cl)[N-]c1nc2ccsc2s1 ZINC000775055142 1134258758 /nfs/dbraw/zinc/25/87/58/1134258758.db2.gz AAXKZMKWCWTMLQ-UHFFFAOYSA-N -1 0 344.870 3.953 20 0 EHADRM O=C(NCC1CCCCC1)Nc1ccc(F)c(Br)c1[O-] ZINC001186883116 1134267304 /nfs/dbraw/zinc/26/73/04/1134267304.db2.gz JWHYHPAUYFCIPH-UHFFFAOYSA-N -1 0 345.212 3.996 20 0 EHADRM O=S(=O)([N-]c1c(Cl)cccc1C(F)(F)F)c1ccco1 ZINC001186856669 1134269245 /nfs/dbraw/zinc/26/92/45/1134269245.db2.gz SJRAPXWKROAFGP-UHFFFAOYSA-N -1 0 325.695 3.753 20 0 EHADRM CC(C)(C)COc1ccc(F)cc1[N-]S(=O)(=O)c1ccco1 ZINC001186863162 1134270181 /nfs/dbraw/zinc/27/01/81/1134270181.db2.gz KRVWBDGCHRQQKK-UHFFFAOYSA-N -1 0 327.377 3.644 20 0 EHADRM C[C@H](CCC1CCCCC1)NS(=O)(=O)c1cc([O-])cc(F)c1 ZINC001186921371 1134274869 /nfs/dbraw/zinc/27/48/69/1134274869.db2.gz PBEQJUQGRUIASK-GFCCVEGCSA-N -1 0 329.437 3.559 20 0 EHADRM Cc1c(F)cccc1NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000075082739 1134276482 /nfs/dbraw/zinc/27/64/82/1134276482.db2.gz XUSPHVBBUVEQDR-UHFFFAOYSA-N -1 0 349.214 3.824 20 0 EHADRM COc1ccc(F)c([N-]S(=O)(=O)c2cc3c(s2)CCCC3)c1 ZINC001187215563 1134316270 /nfs/dbraw/zinc/31/62/70/1134316270.db2.gz UGQKTXNDZZDOIG-UHFFFAOYSA-N -1 0 341.429 3.575 20 0 EHADRM Cc1oncc1S(=O)(=O)[N-]c1ccc2c(c1)oc1ccccc12 ZINC001187368658 1134327819 /nfs/dbraw/zinc/32/78/19/1134327819.db2.gz JCFWUAJKDWYBQN-UHFFFAOYSA-N -1 0 328.349 3.683 20 0 EHADRM C/C(=C/c1ccccc1)CNc1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000789903386 1134347969 /nfs/dbraw/zinc/34/79/69/1134347969.db2.gz IUURINXNJBTFBG-LCYFTJDESA-N -1 0 325.364 3.671 20 0 EHADRM O=S(=O)(CCc1cccc2ccccc21)Nc1ccc(F)c(O)c1 ZINC001187641929 1134361463 /nfs/dbraw/zinc/36/14/63/1134361463.db2.gz NHCGTWOOFXRHAW-UHFFFAOYSA-N -1 0 345.395 3.669 20 0 EHADRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2cnn(CCC)c2)c1 ZINC000790068217 1134362752 /nfs/dbraw/zinc/36/27/52/1134362752.db2.gz GCRNMDOEBFUNKO-UHFFFAOYSA-N -1 0 341.864 3.700 20 0 EHADRM CCC1(CNS(=O)(=O)c2cc(Cl)sc2Cl)CCC1 ZINC001187809264 1134384539 /nfs/dbraw/zinc/38/45/39/1134384539.db2.gz NEIGLULDIDVMBL-UHFFFAOYSA-N -1 0 328.286 3.914 20 0 EHADRM O=S(=O)([N-]c1ccc(Cc2ccccc2)cc1)c1nccs1 ZINC001187890948 1134398924 /nfs/dbraw/zinc/39/89/24/1134398924.db2.gz CIAFKMVVMLZDEP-UHFFFAOYSA-N -1 0 330.434 3.535 20 0 EHADRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cccc(C(F)F)c2)c1C ZINC000790421353 1134414465 /nfs/dbraw/zinc/41/44/65/1134414465.db2.gz YCGLUOUXKWRYTK-SNVBAGLBSA-N -1 0 343.399 3.901 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)N=NC2)c1cnc(Cl)c(Cl)c1 ZINC001188078161 1134425096 /nfs/dbraw/zinc/42/50/96/1134425096.db2.gz DTEOBNVFMXHJNK-UHFFFAOYSA-N -1 0 343.195 3.787 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cn1)c1ccc(-c2ccc(F)cc2)cc1 ZINC001188419239 1134460166 /nfs/dbraw/zinc/46/01/66/1134460166.db2.gz BDZICUYOGPYMMW-UHFFFAOYSA-N -1 0 346.358 3.828 20 0 EHADRM O=S(=O)([N-]c1cc(C(F)(F)F)cc2ncccc12)c1ccoc1 ZINC001188614061 1134482023 /nfs/dbraw/zinc/48/20/23/1134482023.db2.gz FOCBVAYHIMKFDX-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM CN(Cc1sc2ccccc2c1Cl)C(=O)c1ccncc1[O-] ZINC001188629173 1134490730 /nfs/dbraw/zinc/49/07/30/1134490730.db2.gz BLPKOMKRSDRVFI-UHFFFAOYSA-N -1 0 332.812 3.928 20 0 EHADRM CC(C)(C)Oc1ccc([C@H]2CCN(C(=O)c3ccncc3[O-])C2)cc1 ZINC001188637020 1134492276 /nfs/dbraw/zinc/49/22/76/1134492276.db2.gz PNJAMBGKEUYWIG-HNNXBMFYSA-N -1 0 340.423 3.594 20 0 EHADRM Cc1cc(C)c(O)c(NS(=O)(=O)CCc2ccc(Cl)cc2)c1 ZINC001189104329 1134544923 /nfs/dbraw/zinc/54/49/23/1134544923.db2.gz QKJAQNYQXXYEBP-UHFFFAOYSA-N -1 0 339.844 3.647 20 0 EHADRM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc3ccccc3cc2O)c1 ZINC001189229249 1134554186 /nfs/dbraw/zinc/55/41/86/1134554186.db2.gz CMWZNWXCQHOKJQ-UHFFFAOYSA-N -1 0 341.388 3.549 20 0 EHADRM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc3c(C)ccnc23)c1 ZINC001189235219 1134554767 /nfs/dbraw/zinc/55/47/67/1134554767.db2.gz JBFZZCNFPHZGPH-UHFFFAOYSA-N -1 0 340.404 3.547 20 0 EHADRM COc1ccc(Cl)c(NS(=O)(=O)Cc2cccc(F)c2F)c1 ZINC001189417636 1134584630 /nfs/dbraw/zinc/58/46/30/1134584630.db2.gz ZFHFZJJYAPCVFS-UHFFFAOYSA-N -1 0 347.770 3.569 20 0 EHADRM CC(C)(C(=O)[N-]OC1CCCC1)c1ccc(Br)cc1 ZINC000775269917 1134601777 /nfs/dbraw/zinc/60/17/77/1134601777.db2.gz KHQOZWNGMUUCSE-UHFFFAOYSA-N -1 0 326.234 3.717 20 0 EHADRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)Cc2cc(F)ccc2F)on1 ZINC001189644921 1134605611 /nfs/dbraw/zinc/60/56/11/1134605611.db2.gz MLQSOBQWOLUTLW-SNVBAGLBSA-N -1 0 344.383 3.798 20 0 EHADRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000775298020 1134619227 /nfs/dbraw/zinc/61/92/27/1134619227.db2.gz ZWUVPMJVPVDAFY-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM C[C@H]1CCc2c(sc(Nc3ccc(C(=O)[O-])cc3F)c2C(N)=O)C1 ZINC001203286407 1134632757 /nfs/dbraw/zinc/63/27/57/1134632757.db2.gz QLLBPSZHVDQIRD-QMMMGPOBSA-N -1 0 348.399 3.553 20 0 EHADRM CC(C)CCCCCC(=O)[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000791961128 1134638421 /nfs/dbraw/zinc/63/84/21/1134638421.db2.gz ICDPHMRHUDLZQL-UHFFFAOYSA-N -1 0 348.468 3.646 20 0 EHADRM CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000791954779 1134638793 /nfs/dbraw/zinc/63/87/93/1134638793.db2.gz QVPBMGNKWVNGLH-CQSZACIVSA-N -1 0 348.468 3.646 20 0 EHADRM CC(C)N(CC1CC1)C(=O)c1cc(Br)ccc1[S-] ZINC001189950163 1134640561 /nfs/dbraw/zinc/64/05/61/1134640561.db2.gz HMOZQZFXQSKALB-UHFFFAOYSA-N -1 0 328.275 3.998 20 0 EHADRM Cc1cc(F)ncc1NC(=O)c1cc(Br)ccc1[S-] ZINC001189951649 1134641727 /nfs/dbraw/zinc/64/17/27/1134641727.db2.gz PVFXRQIEUBTGLF-UHFFFAOYSA-N -1 0 341.205 3.833 20 0 EHADRM O=C(Nc1ccc(F)c(O)c1)c1cc(Br)ccc1[S-] ZINC001189962668 1134642303 /nfs/dbraw/zinc/64/23/03/1134642303.db2.gz ZMHMITNJWKQURM-UHFFFAOYSA-N -1 0 342.189 3.835 20 0 EHADRM Cc1cc(F)ccc1CS(=O)(=O)[N-]C(=O)[C@H](C)CCC(C)(C)C ZINC000792060014 1134646514 /nfs/dbraw/zinc/64/65/14/1134646514.db2.gz GJGDCVUGKQYCII-GFCCVEGCSA-N -1 0 343.464 3.543 20 0 EHADRM CC[C@H](C)c1ccccc1[N-]S(=O)(=O)c1ncc(F)cc1F ZINC001190133791 1134659771 /nfs/dbraw/zinc/65/97/71/1134659771.db2.gz JLSCVKUTWQYEKH-JTQLQIEISA-N -1 0 326.368 3.674 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cnccc2OC)cc1 ZINC001190424203 1134698646 /nfs/dbraw/zinc/69/86/46/1134698646.db2.gz VFYCSSCZIUNTKI-UHFFFAOYSA-N -1 0 334.441 3.579 20 0 EHADRM O=c1ccc2cccc([N-]S(=O)(=O)c3ccc(C4CC4)cc3)c2[nH]1 ZINC001190512347 1134708565 /nfs/dbraw/zinc/70/85/65/1134708565.db2.gz NKKBYVJPQZSBEC-UHFFFAOYSA-N -1 0 340.404 3.619 20 0 EHADRM Cc1cc(C(=O)Nc2cc(=O)[n-]c(Cl)n2)c(F)cc1C(F)(F)F ZINC001190760749 1134741868 /nfs/dbraw/zinc/74/18/68/1134741868.db2.gz KVXDTKKYZQQEAD-UHFFFAOYSA-N -1 0 349.671 3.554 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2nccc3ccccc32)c1 ZINC001191144430 1134811131 /nfs/dbraw/zinc/81/11/31/1134811131.db2.gz FXZQCSFTQMFLDK-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(F)c(C)c(F)c2)c1 ZINC001191191740 1134824154 /nfs/dbraw/zinc/82/41/54/1134824154.db2.gz CAHCPLKIFWVESQ-UHFFFAOYSA-N -1 0 348.374 3.931 20 0 EHADRM CC(C)(C)c1cnn2cc(Nc3ccc(C(=O)[O-])cc3F)cnc12 ZINC001203288531 1134833916 /nfs/dbraw/zinc/83/39/16/1134833916.db2.gz VRYHZWXLXDUTQE-UHFFFAOYSA-N -1 0 328.347 3.608 20 0 EHADRM CCc1cccnc1[N-]S(=O)(=O)c1cc(C(C)C)ccc1OC ZINC001191662288 1134900162 /nfs/dbraw/zinc/90/01/62/1134900162.db2.gz AYPZMBDFEDSPQU-UHFFFAOYSA-N -1 0 334.441 3.577 20 0 EHADRM CCC[C@H](C)C(=O)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000793352619 1134916492 /nfs/dbraw/zinc/91/64/92/1134916492.db2.gz LCYZLHQBGXKVNX-VIFPVBQESA-N -1 0 338.256 3.543 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(C(C)C)nc1 ZINC001191787298 1134922199 /nfs/dbraw/zinc/92/21/99/1134922199.db2.gz GGTPCQNUQUQMTL-UHFFFAOYSA-N -1 0 334.441 3.713 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cccc(C2CCC2)n1 ZINC001191791427 1134923333 /nfs/dbraw/zinc/92/33/33/1134923333.db2.gz DNSNDYUABCFUQT-UHFFFAOYSA-N -1 0 346.452 3.857 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1scnc1C1CC1 ZINC001191793850 1134924238 /nfs/dbraw/zinc/92/42/38/1134924238.db2.gz YRVQMNXUWCTQTH-UHFFFAOYSA-N -1 0 338.454 3.528 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ncccc1C(C)C ZINC001191792293 1134924711 /nfs/dbraw/zinc/92/47/11/1134924711.db2.gz KGJZHSGICLHYCT-UHFFFAOYSA-N -1 0 334.441 3.713 20 0 EHADRM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1cnccc1C1CCC1 ZINC001192321099 1134998274 /nfs/dbraw/zinc/99/82/74/1134998274.db2.gz IAKORQGRSFERRN-UHFFFAOYSA-N -1 0 337.832 3.507 20 0 EHADRM CC(C)(C)c1nnc(NC(=O)c2ccc(Cl)nc2C(F)(F)F)o1 ZINC001192466269 1135016469 /nfs/dbraw/zinc/01/64/69/1135016469.db2.gz WGGMQXDMTQVZQV-UHFFFAOYSA-N -1 0 348.712 3.687 20 0 EHADRM CC[C@@H](NC(=O)c1c(F)ccc(F)c1[O-])c1ccc(F)c(F)c1 ZINC001192717475 1135051297 /nfs/dbraw/zinc/05/12/97/1135051297.db2.gz ABPZIUOLDZOYSV-CYBMUJFWSA-N -1 0 327.277 3.830 20 0 EHADRM COc1ccc([C@H](NC(=O)c2c(F)ccc(F)c2[O-])C2CC2)cc1 ZINC001192721192 1135052025 /nfs/dbraw/zinc/05/20/25/1135052025.db2.gz ZCYZEHQISMNNRT-MRXNPFEDSA-N -1 0 333.334 3.560 20 0 EHADRM O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(F)c(F)c1[O-] ZINC001192806812 1135056725 /nfs/dbraw/zinc/05/67/25/1135056725.db2.gz LQSBPQSLXPCPSK-UHFFFAOYSA-N -1 0 340.329 3.909 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C)c(F)c(F)c2)c1 ZINC001192817245 1135058800 /nfs/dbraw/zinc/05/88/00/1135058800.db2.gz CVMKDJFWVADYSW-UHFFFAOYSA-N -1 0 341.379 3.645 20 0 EHADRM Cc1ccc(OC(C)C)cc1[N-]S(=O)(=O)c1cnccc1Cl ZINC001192897735 1135069605 /nfs/dbraw/zinc/06/96/05/1135069605.db2.gz VERCRISPWSBGHV-UHFFFAOYSA-N -1 0 340.832 3.631 20 0 EHADRM Cc1cn(-c2ccc(NC(=O)c3cc(F)c([O-])cc3F)cc2F)cn1 ZINC001192879552 1135074380 /nfs/dbraw/zinc/07/43/80/1135074380.db2.gz IMXYMZLAUYYBIL-UHFFFAOYSA-N -1 0 347.296 3.556 20 0 EHADRM Cc1cc(O)cc(C)c1NC(=O)c1cc(Cl)nc(Cl)c1[O-] ZINC001193093443 1135105825 /nfs/dbraw/zinc/10/58/25/1135105825.db2.gz JSROWYJZEIBDKA-UHFFFAOYSA-N -1 0 327.167 3.669 20 0 EHADRM Cc1ccc(=O)[nH]c1C(=O)Nc1cc(Cl)c(C)c(Cl)c1[O-] ZINC001193197511 1135113415 /nfs/dbraw/zinc/11/34/15/1135113415.db2.gz LDWLKWVFSVJNAS-UHFFFAOYSA-N -1 0 327.167 3.669 20 0 EHADRM Cc1sccc1C(=O)Nc1ccc(F)c(Br)c1[O-] ZINC001193378915 1135132576 /nfs/dbraw/zinc/13/25/76/1135132576.db2.gz JWCZWXJMJRKJLF-UHFFFAOYSA-N -1 0 330.178 3.916 20 0 EHADRM COc1ccc([C@H](NC(=O)c2ccc(F)c([O-])c2F)C2CC2)cc1 ZINC001193792664 1135181146 /nfs/dbraw/zinc/18/11/46/1135181146.db2.gz CYLVJZMXQJIJIK-MRXNPFEDSA-N -1 0 333.334 3.560 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2ccc(C)c3ccccc32)c(C)cn1 ZINC001193841773 1135185723 /nfs/dbraw/zinc/18/57/23/1135185723.db2.gz ATHHYUJUUQZQBL-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(C)c3ccccc32)n1 ZINC001193834370 1135190750 /nfs/dbraw/zinc/19/07/50/1135190750.db2.gz ZEZUXDZOBPNORK-UHFFFAOYSA-N -1 0 326.421 3.961 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnc(F)c(C)c2)c2ccccc12 ZINC001193833677 1135191202 /nfs/dbraw/zinc/19/12/02/1135191202.db2.gz QDKOQXHQQXCHJL-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM Cc1ncc([N-]S(=O)(=O)c2ccc(-c3cccs3)cc2)c(C)n1 ZINC001194146387 1135234103 /nfs/dbraw/zinc/23/41/03/1135234103.db2.gz XIMFBRPKKFPSJB-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM O=S(=O)([N-]c1ncc(F)s1)c1ccc2c(Cl)cccc2c1 ZINC001194215795 1135245137 /nfs/dbraw/zinc/24/51/37/1135245137.db2.gz GOAVKMNLSDBFGA-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM CN(C)c1ccc(C(=O)Nc2cc(Cl)c([O-])cc2F)cc1F ZINC000805255270 1135253326 /nfs/dbraw/zinc/25/33/26/1135253326.db2.gz OGJXFBOWXQEUCI-UHFFFAOYSA-N -1 0 326.730 3.642 20 0 EHADRM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)c(C)c1 ZINC001194301524 1135254698 /nfs/dbraw/zinc/25/46/98/1135254698.db2.gz OMUTUYXRFLHKEE-UHFFFAOYSA-N -1 0 344.358 3.826 20 0 EHADRM O=S(=O)([N-]c1ncccc1F)c1cccc2c(Cl)cccc21 ZINC001194404154 1135265014 /nfs/dbraw/zinc/26/50/14/1135265014.db2.gz XHBOJHALPHZUMI-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM O=S(=O)([N-]c1cncc(F)c1)c1cccc2c(Cl)cccc21 ZINC001194411430 1135265870 /nfs/dbraw/zinc/26/58/70/1135265870.db2.gz PNVGWAGHJSPTMI-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM CO[C@H]1CCOc2c([N-]S(=O)(=O)c3c(C)cccc3C)cccc21 ZINC001194643669 1135296587 /nfs/dbraw/zinc/29/65/87/1135296587.db2.gz LPKQZKOPRBFUJZ-INIZCTEOSA-N -1 0 347.436 3.574 20 0 EHADRM CC[C@H](C)COC(=O)Nc1ccc2c(cccc2S(=O)(=O)[O-])c1 ZINC001194807958 1135323358 /nfs/dbraw/zinc/32/33/58/1135323358.db2.gz VRCHQIGMXCBTHI-NSHDSACASA-N -1 0 337.397 3.681 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)CCCCC(C)(C)C)c1 ZINC000805895491 1135346307 /nfs/dbraw/zinc/34/63/07/1135346307.db2.gz SOYFOESJZKHPNZ-UHFFFAOYSA-N -1 0 329.437 3.546 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2csc3nccnc23)c1 ZINC001195119864 1135372844 /nfs/dbraw/zinc/37/28/44/1135372844.db2.gz CIPDVDJUFBQWOR-UHFFFAOYSA-N -1 0 333.438 3.616 20 0 EHADRM COc1cc(C(C)=O)ccc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC001195156501 1135383639 /nfs/dbraw/zinc/38/36/39/1135383639.db2.gz OIBINHTXLDFCNX-UHFFFAOYSA-N -1 0 347.436 3.822 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2O)c1 ZINC001195169036 1135386553 /nfs/dbraw/zinc/38/65/53/1135386553.db2.gz GEMSRQOZCLTOGS-UHFFFAOYSA-N -1 0 327.352 3.595 20 0 EHADRM O=C(Nc1cc2c(cc1Cl)OCO2)c1cccc(Cl)c1[O-] ZINC000775644965 1135393325 /nfs/dbraw/zinc/39/33/25/1135393325.db2.gz UOYSCAZBNIELOV-UHFFFAOYSA-N -1 0 326.135 3.680 20 0 EHADRM O=C(NCCc1ccc(OC(F)F)cc1)c1cccc(Cl)c1[O-] ZINC000775646670 1135400872 /nfs/dbraw/zinc/40/08/72/1135400872.db2.gz MSUWMLGARZLAMI-UHFFFAOYSA-N -1 0 341.741 3.620 20 0 EHADRM Cn1c(NC(=O)c2c([O-])c(F)c(F)c(F)c2F)cc2ccccc21 ZINC001195290222 1135408283 /nfs/dbraw/zinc/40/82/83/1135408283.db2.gz FQJLPIZJGMENEH-UHFFFAOYSA-N -1 0 338.260 3.693 20 0 EHADRM CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cccc(Cl)c1[O-] ZINC000775647666 1135408597 /nfs/dbraw/zinc/40/85/97/1135408597.db2.gz XOBPKSIZGCOVAF-UHFFFAOYSA-N -1 0 349.814 3.725 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc2c(ccn2C)c1 ZINC001195308087 1135410608 /nfs/dbraw/zinc/41/06/08/1135410608.db2.gz GIPUTEVDEXJHQE-UHFFFAOYSA-N -1 0 334.828 3.941 20 0 EHADRM COc1cc(C)ccc1[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC001195309038 1135411111 /nfs/dbraw/zinc/41/11/11/1135411111.db2.gz YIXBHLQHXNOVPA-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2c(C)cccc2Cl)ccc1C ZINC001195308542 1135411293 /nfs/dbraw/zinc/41/12/93/1135411293.db2.gz QGTBGHJVMMJJLG-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cccc2[nH]c(=O)ccc12 ZINC001195309788 1135411931 /nfs/dbraw/zinc/41/19/31/1135411931.db2.gz NRPRKUVTPBPYHO-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cc(Cl)ccc1CO ZINC001195317377 1135413543 /nfs/dbraw/zinc/41/35/43/1135413543.db2.gz YKSILIPEPUWICZ-UHFFFAOYSA-N -1 0 346.235 3.595 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1c(Cl)nc2ccccn21 ZINC000805257695 1135422245 /nfs/dbraw/zinc/42/22/45/1135422245.db2.gz CUMOSARHZBSGCS-UHFFFAOYSA-N -1 0 340.141 3.738 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1ccc(Cn2cccn2)cc1 ZINC000805259160 1135430944 /nfs/dbraw/zinc/43/09/44/1135430944.db2.gz PNBDUUXHTPDLKI-UHFFFAOYSA-N -1 0 345.761 3.682 20 0 EHADRM COc1ccc(OC(F)F)c(NC(=O)c2cccc(Cl)c2[O-])c1 ZINC000775660001 1135432685 /nfs/dbraw/zinc/43/26/85/1135432685.db2.gz RCWNNTHDZZFCOJ-UHFFFAOYSA-N -1 0 343.713 3.908 20 0 EHADRM Cc1nc(F)ccc1/C=C\c1cc(C(=O)[O-])c2cnn(C(C)C)c2n1 ZINC000806559645 1135459344 /nfs/dbraw/zinc/45/93/44/1135459344.db2.gz DFFYRJZVLNPFSS-XQRVVYSFSA-N -1 0 340.358 3.723 20 0 EHADRM O=C([O-])c1nc(/C=C/c2ccc(Cl)nc2)sc1Br ZINC000806564646 1135461561 /nfs/dbraw/zinc/46/15/61/1135461561.db2.gz FKLCKCASYPYPJZ-DUXPYHPUSA-N -1 0 345.605 3.823 20 0 EHADRM O=S(=O)([N-]C[C@@H]1CCC=CCCC1)c1c(F)cc(F)cc1F ZINC001195857453 1135476219 /nfs/dbraw/zinc/47/62/19/1135476219.db2.gz KGBATPSRDUVODA-LLVKDONJSA-N -1 0 333.375 3.519 20 0 EHADRM O=S(=O)(N[C@H](c1ccccc1)C1CCCC1)c1ccc(O)cc1 ZINC001195824939 1135477120 /nfs/dbraw/zinc/47/71/20/1135477120.db2.gz FSQFMTASRHDSTF-GOSISDBHSA-N -1 0 331.437 3.602 20 0 EHADRM Cc1[nH]c2ccc(F)cc2c1CCNC(=O)c1ccc(Cl)c([O-])c1 ZINC001170525990 1135548909 /nfs/dbraw/zinc/54/89/09/1135548909.db2.gz NYNYWGWBUANGIV-UHFFFAOYSA-N -1 0 346.789 3.947 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CCCCC3=O)c(F)c1 ZINC001196385241 1135553055 /nfs/dbraw/zinc/55/30/55/1135553055.db2.gz YPVLYDWKGQOKOP-UHFFFAOYSA-N -1 0 347.411 3.844 20 0 EHADRM O=C(c1cc(Cl)ncc1[O-])N1CCC[C@H]1c1cc2ccccc2[nH]1 ZINC001196396566 1135555218 /nfs/dbraw/zinc/55/52/18/1135555218.db2.gz VISRVGZHLVMZAD-HNNXBMFYSA-N -1 0 341.798 3.899 20 0 EHADRM Cc1cc(O)cnc1[N-]S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC001196415165 1135561171 /nfs/dbraw/zinc/56/11/71/1135561171.db2.gz ZUWCHESSZAVZNG-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM O=C(Nc1ccc2c[nH]nc2c1Cl)c1cc(Cl)c(F)cc1[O-] ZINC001196466474 1135563891 /nfs/dbraw/zinc/56/38/91/1135563891.db2.gz HNKAULBEEJFQII-UHFFFAOYSA-N -1 0 340.141 3.967 20 0 EHADRM CN(Cc1nc2ccccc2o1)C(=O)c1cc(Cl)c(F)cc1[O-] ZINC001196467138 1135564321 /nfs/dbraw/zinc/56/43/21/1135564321.db2.gz MHQCSVLAKPYJSF-UHFFFAOYSA-N -1 0 334.734 3.598 20 0 EHADRM CSc1c(F)cccc1NC(=O)c1csc(-c2ncc[nH]2)n1 ZINC001131059086 1135571583 /nfs/dbraw/zinc/57/15/83/1135571583.db2.gz JISRBIJVRSTVIS-UHFFFAOYSA-N -1 0 334.401 3.647 20 0 EHADRM C[C@H]1c2ccc(Cl)n2CCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000808253308 1135636957 /nfs/dbraw/zinc/63/69/57/1135636957.db2.gz NLTQAQILBXKQOE-VIFPVBQESA-N -1 0 347.827 3.788 20 0 EHADRM COC(=O)C(C)(C)c1ccc(NC(=O)c2cccc(Cl)c2[O-])cc1 ZINC000775757233 1135645668 /nfs/dbraw/zinc/64/56/68/1135645668.db2.gz YMFQSODCDZFYGM-UHFFFAOYSA-N -1 0 347.798 3.749 20 0 EHADRM C[C@@H]1CN(C)c2ccccc2N(C(=O)c2cccc(Cl)c2[O-])C1 ZINC000775756712 1135648202 /nfs/dbraw/zinc/64/82/02/1135648202.db2.gz QFTJQRUXEDWXBD-GFCCVEGCSA-N -1 0 330.815 3.778 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N[C@@H]2CC23CCC(F)(F)CC3)cc1 ZINC001197140080 1135649606 /nfs/dbraw/zinc/64/96/06/1135649606.db2.gz MYNAOILTQDZSDD-GFCCVEGCSA-N -1 0 340.395 3.639 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NCc2cccc(C3CC3)c2)cc1 ZINC001197139738 1135649621 /nfs/dbraw/zinc/64/96/21/1135649621.db2.gz WNAQZRNXOOKEFS-UHFFFAOYSA-N -1 0 326.421 3.749 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2cccc(-c3cnco3)c2)cc1 ZINC001197113061 1135650701 /nfs/dbraw/zinc/65/07/01/1135650701.db2.gz NAJJRHJBMHORAR-UHFFFAOYSA-N -1 0 339.376 3.849 20 0 EHADRM CC(=O)c1cc(NC(=S)Nc2ccc(C(=O)[O-])cc2)ccc1F ZINC001197112966 1135650889 /nfs/dbraw/zinc/65/08/89/1135650889.db2.gz YOQAXKDRFPVZMK-UHFFFAOYSA-N -1 0 332.356 3.535 20 0 EHADRM CCOc1cccc(F)c1NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197119962 1135651995 /nfs/dbraw/zinc/65/19/95/1135651995.db2.gz YIZGUYSGLUNGCT-UHFFFAOYSA-N -1 0 334.372 3.732 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2ccc(F)c3cnccc23)cc1 ZINC001197119343 1135652149 /nfs/dbraw/zinc/65/21/49/1135652149.db2.gz ICSCAJORWUQPQO-UHFFFAOYSA-N -1 0 341.367 3.881 20 0 EHADRM O=C(Nc1ccc(N2CCSCC2)cc1)c1cccc(Cl)c1[O-] ZINC000775758740 1135652167 /nfs/dbraw/zinc/65/21/67/1135652167.db2.gz VUERHBZDIFRXNX-UHFFFAOYSA-N -1 0 348.855 3.851 20 0 EHADRM O=S(=O)(/C=C\c1ccc(Cl)cc1)[N-][C@H](C1CC1)C(F)(F)F ZINC000808328296 1135653334 /nfs/dbraw/zinc/65/33/34/1135653334.db2.gz NTLWOPUNBZEOJF-QDZRJHCZSA-N -1 0 339.766 3.571 20 0 EHADRM O=C(NC1(c2cccc(F)c2)CCOCC1)c1cccc(Cl)c1[O-] ZINC000775762173 1135654086 /nfs/dbraw/zinc/65/40/86/1135654086.db2.gz SSKMQYBMKJTADA-UHFFFAOYSA-N -1 0 349.789 3.620 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N(Cc1cccc(O)c1)CC1CC1 ZINC000775772990 1135689360 /nfs/dbraw/zinc/68/93/60/1135689360.db2.gz FLLXXQSRFGQWPP-UHFFFAOYSA-N -1 0 331.799 3.804 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)n[nH]c1C1CC1 ZINC000808543270 1135692161 /nfs/dbraw/zinc/69/21/61/1135692161.db2.gz REZSOGCOUSCOQU-UHFFFAOYSA-N -1 0 346.239 3.703 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCSC2(CCCCC2)C1 ZINC000775773305 1135692757 /nfs/dbraw/zinc/69/27/57/1135692757.db2.gz WIERGRRQCXZQTG-UHFFFAOYSA-N -1 0 325.861 3.938 20 0 EHADRM O=C(Nc1ccccc1OCC(F)F)c1cccc(Cl)c1[O-] ZINC000775776521 1135696643 /nfs/dbraw/zinc/69/66/43/1135696643.db2.gz HUDVWQOCICXWQF-UHFFFAOYSA-N -1 0 327.714 3.942 20 0 EHADRM Cc1csc([N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)n1 ZINC001197495142 1135699499 /nfs/dbraw/zinc/69/94/99/1135699499.db2.gz LCDDTFBMJGZZFZ-UHFFFAOYSA-N -1 0 337.253 3.700 20 0 EHADRM O=C(Nc1cc(-c2ccccc2)ns1)c1n[n-]c2ccccc2c1=O ZINC000747518442 1135707130 /nfs/dbraw/zinc/70/71/30/1135707130.db2.gz LTMVVUUVGLDXFV-UHFFFAOYSA-N -1 0 348.387 3.711 20 0 EHADRM O=S(=O)(Cc1ccccn1)[N-]c1cc(-c2ccccc2)cs1 ZINC001197788754 1135737518 /nfs/dbraw/zinc/73/75/18/1135737518.db2.gz FYFZOKPTFGLFLH-UHFFFAOYSA-N -1 0 330.434 3.752 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2cccc(Cc3ccccc3)c2)c1 ZINC001197955532 1135757461 /nfs/dbraw/zinc/75/74/61/1135757461.db2.gz GVGOXAGJPVYRID-UHFFFAOYSA-N -1 0 338.432 3.782 20 0 EHADRM Cc1nc(-c2ccc([N-]S(=O)(=O)c3cc(C)ccn3)cc2)cs1 ZINC001197998496 1135760371 /nfs/dbraw/zinc/76/03/71/1135760371.db2.gz FPRCWLASXKIOAQ-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM CCOc1ccc(C(=O)Nc2c(O)cccc2C(C)=O)cc1CC ZINC001198194888 1135786729 /nfs/dbraw/zinc/78/67/29/1135786729.db2.gz MDPQHCDOXLSMLF-UHFFFAOYSA-N -1 0 327.380 3.808 20 0 EHADRM Cc1ccc(-c2ccc([N-]S(=O)(=O)c3ccc(C)nc3)cn2)cc1 ZINC001198272862 1135798577 /nfs/dbraw/zinc/79/85/77/1135798577.db2.gz PSFRWWOYLURKOK-UHFFFAOYSA-N -1 0 339.420 3.561 20 0 EHADRM CC(C)([N-]C(=O)C(F)(F)F)c1nc(-c2ccc3ccccc3c2)no1 ZINC000809534381 1135848462 /nfs/dbraw/zinc/84/84/62/1135848462.db2.gz HRDMKUTXUXITFN-UHFFFAOYSA-N -1 0 349.312 3.803 20 0 EHADRM O=S(=O)([N-]c1ncccc1C(F)(F)F)c1ccc2occc2c1 ZINC001198829333 1135857303 /nfs/dbraw/zinc/85/73/03/1135857303.db2.gz ABQORVMVYZTBBI-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)cc(Cl)n1)c1ccc2occc2c1 ZINC001198818056 1135859508 /nfs/dbraw/zinc/85/95/08/1135859508.db2.gz MAEIJYQOIWUTCS-UHFFFAOYSA-N -1 0 343.191 3.935 20 0 EHADRM O=S(=O)([N-]c1cccc2ncsc21)c1ccc2occc2c1 ZINC001198861763 1135862161 /nfs/dbraw/zinc/86/21/61/1135862161.db2.gz KRCPARHEJKLQEG-UHFFFAOYSA-N -1 0 330.390 3.843 20 0 EHADRM O=S(=O)([N-]c1cccc2cncc(F)c21)c1ccc2occc2c1 ZINC001198869129 1135864379 /nfs/dbraw/zinc/86/43/79/1135864379.db2.gz QOWPKWSLUHBOAP-UHFFFAOYSA-N -1 0 342.351 3.921 20 0 EHADRM O=C(NCc1ccc[nH]c1=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC001132056150 1135918917 /nfs/dbraw/zinc/91/89/17/1135918917.db2.gz CYWOAMGWQGMMFJ-UHFFFAOYSA-N -1 0 347.148 3.502 20 0 EHADRM CCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000776079638 1135949034 /nfs/dbraw/zinc/94/90/34/1135949034.db2.gz ACYOSJVTIUFZIL-CQSZACIVSA-N -1 0 348.468 3.646 20 0 EHADRM Cn1ncc2c1cccc2C(=O)Nc1c(Cl)ccc([O-])c1Cl ZINC001201296718 1136004124 /nfs/dbraw/zinc/00/41/24/1136004124.db2.gz MRDCBWNDECQGJA-UHFFFAOYSA-N -1 0 336.178 3.838 20 0 EHADRM CC(C)Oc1cncc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])c1 ZINC001201547019 1136035510 /nfs/dbraw/zinc/03/55/10/1136035510.db2.gz FNHSLFMGRYJCMA-UHFFFAOYSA-N -1 0 342.804 3.513 20 0 EHADRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1cccc2ncsc21 ZINC001201760221 1136060085 /nfs/dbraw/zinc/06/00/85/1136060085.db2.gz GLEASMYWIZFQOC-UHFFFAOYSA-N -1 0 345.858 3.515 20 0 EHADRM CC1(C)CN(C(=O)c2cccc(Cl)c2[O-])Cc2ccccc2O1 ZINC000811552126 1136106635 /nfs/dbraw/zinc/10/66/35/1136106635.db2.gz JPROCLSJBPYLPC-UHFFFAOYSA-N -1 0 331.799 3.859 20 0 EHADRM CCOC(=O)/C(=C\c1ccc(C(=O)[O-])cc1)c1ccncc1Cl ZINC000812245163 1136188907 /nfs/dbraw/zinc/18/89/07/1136188907.db2.gz QTQPCCKUNRBWTP-ZROIWOOFSA-N -1 0 331.755 3.537 20 0 EHADRM CCC(CC)(C(=O)[N-]OC/C=C/Cl)c1ccc(OC)c(OC)c1 ZINC000812400363 1136200967 /nfs/dbraw/zinc/20/09/67/1136200967.db2.gz KNJRQKOAUFENFK-JXMROGBWSA-N -1 0 341.835 3.562 20 0 EHADRM O=C(COc1ccc(Oc2ccccc2)cc1)[N-]OC/C=C/Cl ZINC000812398192 1136203951 /nfs/dbraw/zinc/20/39/51/1136203951.db2.gz NKWNLDRADPWBAG-NYYWCZLTSA-N -1 0 333.771 3.658 20 0 EHADRM CON(Cc1ccc(Cl)cc1)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000812799329 1136253100 /nfs/dbraw/zinc/25/31/00/1136253100.db2.gz XJVQIASAHBLLDP-UHFFFAOYSA-N -1 0 348.811 3.974 20 0 EHADRM O=C(CCCC1CCCC1)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000851247540 1136357738 /nfs/dbraw/zinc/35/77/38/1136357738.db2.gz SJYDXPJGRXPMGU-UHFFFAOYSA-N -1 0 335.425 3.598 20 0 EHADRM CCC(CC)[C@H](C)C(=O)[N-]S(=O)(=O)[C@H](CC)c1ccccc1 ZINC000814018118 1136386906 /nfs/dbraw/zinc/38/69/06/1136386906.db2.gz JJXJGIBCRNPCKM-XJKSGUPXSA-N -1 0 325.474 3.656 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C(C1CCC1)C1CCC1 ZINC000814021672 1136387009 /nfs/dbraw/zinc/38/70/09/1136387009.db2.gz PLZFRYDVMZZOOG-KRWDZBQOSA-N -1 0 349.496 3.800 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1csc(C)c1C ZINC000814019079 1136387039 /nfs/dbraw/zinc/38/70/39/1136387039.db2.gz UTQATPFATVBNBM-HNNXBMFYSA-N -1 0 337.466 3.576 20 0 EHADRM CCCCS[C@H](C)C(=O)[N-]S(=O)(=O)[C@@H](CC)c1ccccc1 ZINC000814020948 1136387210 /nfs/dbraw/zinc/38/72/10/1136387210.db2.gz GCEPWUHSNBCEGP-HIFRSBDPSA-N -1 0 343.514 3.506 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)o1 ZINC000851593923 1136395143 /nfs/dbraw/zinc/39/51/43/1136395143.db2.gz DRLACNWISZVSNN-OFQNWOQMSA-N -1 0 339.391 3.834 20 0 EHADRM O=C([O-])CCN(CC1CC1)C(=O)c1cccc(SC(F)(F)F)c1 ZINC000851597485 1136395421 /nfs/dbraw/zinc/39/54/21/1136395421.db2.gz ZMZPSPWUARJNBV-UHFFFAOYSA-N -1 0 347.358 3.625 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000851599497 1136395459 /nfs/dbraw/zinc/39/54/59/1136395459.db2.gz GDLPFIPIXPIVST-LRDDRELGSA-N -1 0 343.354 3.665 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)Nc2cccc(OC3CCCC3)c2)o1 ZINC000851595515 1136395524 /nfs/dbraw/zinc/39/55/24/1136395524.db2.gz PPEVTMMPAWXWDJ-PKNBQFBNSA-N -1 0 341.363 3.951 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2ncc(Cc3ccccc3)s2)CC1 ZINC000851691320 1136399796 /nfs/dbraw/zinc/39/97/96/1136399796.db2.gz VSYHJISIHGKDSL-UHFFFAOYSA-N -1 0 344.436 3.563 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cccc(-n3cccc3)c2)s1 ZINC000110539598 1136447953 /nfs/dbraw/zinc/44/79/53/1136447953.db2.gz IGHIKODIAUSZLV-UHFFFAOYSA-N -1 0 332.450 3.902 20 0 EHADRM C/C(=C\C(=O)N(CCC(=O)[O-])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000776610899 1136470994 /nfs/dbraw/zinc/47/09/94/1136470994.db2.gz LVXHSWDCFVZVSC-ZHACJKMWSA-N -1 0 341.329 3.574 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)Nc1cccc(SC(F)F)c1)C1CCC1 ZINC000853092035 1136507836 /nfs/dbraw/zinc/50/78/36/1136507836.db2.gz JYPBZVKRIKVVQA-LBPRGKRZSA-N -1 0 344.383 3.624 20 0 EHADRM COc1cccc(/C(C)=C\C(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC000776646924 1136514830 /nfs/dbraw/zinc/51/48/30/1136514830.db2.gz RNIZRYAGNIUQPI-LCYFTJDESA-N -1 0 325.364 3.744 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CC1CCCCC1)c1ccc(F)cc1F ZINC000776653594 1136523633 /nfs/dbraw/zinc/52/36/33/1136523633.db2.gz IDNGUXWACOPKKR-HNNXBMFYSA-N -1 0 325.355 3.567 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2F)sc1C ZINC000776652869 1136523654 /nfs/dbraw/zinc/52/36/54/1136523654.db2.gz DIJGFOYMGXTEAM-ZDUSSCGKSA-N -1 0 339.363 3.589 20 0 EHADRM CC(C)C[C@@H](C)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000776663135 1136531067 /nfs/dbraw/zinc/53/10/67/1136531067.db2.gz XIMVOSKDBOBNPA-ABAIWWIYSA-N -1 0 327.371 3.669 20 0 EHADRM C[C@H]1c2ccc(Cl)n2CCN1C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000854483626 1136620048 /nfs/dbraw/zinc/62/00/48/1136620048.db2.gz VAOGTVNIEOYMBQ-VIFPVBQESA-N -1 0 347.827 3.788 20 0 EHADRM Cc1nsc(NC2CC2)c1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000815815338 1136640085 /nfs/dbraw/zinc/64/00/85/1136640085.db2.gz VXSLSEMGVVKQBP-UHFFFAOYSA-N -1 0 346.437 3.708 20 0 EHADRM CCCCCC[C@@H](CC)C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000112641745 1136644272 /nfs/dbraw/zinc/64/42/72/1136644272.db2.gz CGYDPJPCOGZSDB-CYBMUJFWSA-N -1 0 331.416 3.965 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N[C@H](C)c2ccccc2)n1 ZINC001135608674 1136728726 /nfs/dbraw/zinc/72/87/26/1136728726.db2.gz AEYDBXHDUPOSSL-CQSZACIVSA-N -1 0 335.407 3.631 20 0 EHADRM C[C@@](O)(C(=O)Nc1cc(Cl)c([O-])cc1F)c1ccc(Cl)cc1 ZINC000816661706 1136746342 /nfs/dbraw/zinc/74/63/42/1136746342.db2.gz VNTDIELNRXQQPJ-HNNXBMFYSA-N -1 0 344.169 3.684 20 0 EHADRM COc1ccc(-c2nc(C)c([C@H](C)[N-]C(=O)C(F)(F)F)s2)cc1 ZINC000113917703 1136754635 /nfs/dbraw/zinc/75/46/35/1136754635.db2.gz VNSHWQCMFAUVOX-VIFPVBQESA-N -1 0 344.358 3.867 20 0 EHADRM CCCO[C@@H]1CCCN(C(=O)c2ccc3oc(=S)[n-]c3c2)CC1 ZINC000816921933 1136763805 /nfs/dbraw/zinc/76/38/05/1136763805.db2.gz LSCGEDMOKYTMQL-CYBMUJFWSA-N -1 0 334.441 3.538 20 0 EHADRM CC[C@@H](C)CO[N-]C(=O)C1(c2cccc(Br)c2)CC1 ZINC000816976542 1136769408 /nfs/dbraw/zinc/76/94/08/1136769408.db2.gz FXACUKDTDOKURQ-LLVKDONJSA-N -1 0 326.234 3.575 20 0 EHADRM CCN(CCOc1ccccc1OC)C(=O)c1cccc(Cl)c1[O-] ZINC000856311180 1136774608 /nfs/dbraw/zinc/77/46/08/1136774608.db2.gz QPNVUHJTUJHDDV-UHFFFAOYSA-N -1 0 349.814 3.595 20 0 EHADRM Cc1cc([N-]S(=O)(=O)/C=C\c2cccc(Cl)c2)nn1C(C)C ZINC000817357233 1136798438 /nfs/dbraw/zinc/79/84/38/1136798438.db2.gz HPWHGWNNBUJXSS-FPLPWBNLSA-N -1 0 339.848 3.838 20 0 EHADRM CC(C)(C(=O)[N-]OCCC1CC1)c1csc(-c2cccs2)n1 ZINC000817408599 1136805561 /nfs/dbraw/zinc/80/55/61/1136805561.db2.gz YQMKFYATXJFPAJ-UHFFFAOYSA-N -1 0 336.482 3.997 20 0 EHADRM CC(C)(C(=O)[N-]OCCC1CC1)c1cccc(Br)c1 ZINC000817429985 1136809822 /nfs/dbraw/zinc/80/98/22/1136809822.db2.gz PNJBRYXDODGAAT-UHFFFAOYSA-N -1 0 326.234 3.575 20 0 EHADRM C/C(=C/C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1)c1cccs1 ZINC000856925307 1136824396 /nfs/dbraw/zinc/82/43/96/1136824396.db2.gz QKPQAGCZOJSTSK-OBEJXRGXSA-N -1 0 343.448 3.744 20 0 EHADRM O=C(Nc1cccc(OC(F)(F)F)c1)c1cc(F)cc(F)c1[O-] ZINC001136024450 1136841105 /nfs/dbraw/zinc/84/11/05/1136841105.db2.gz HQPLUKZQIOUPTN-UHFFFAOYSA-N -1 0 333.212 3.821 20 0 EHADRM O=C(N[C@@H](c1nccs1)C(F)(F)F)c1cccc(Cl)c1[O-] ZINC000818323129 1136870687 /nfs/dbraw/zinc/87/06/87/1136870687.db2.gz YLQLBQZDAHZIAV-VIFPVBQESA-N -1 0 336.722 3.536 20 0 EHADRM CC(C)OCCO[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000857510007 1136878793 /nfs/dbraw/zinc/87/87/93/1136878793.db2.gz DYMWZVYGRVQYMQ-UHFFFAOYSA-N -1 0 342.169 3.558 20 0 EHADRM Cc1n[nH]c(C(=O)N[C@@H](c2cccs2)c2ccc(Cl)cc2)c1[O-] ZINC001136269223 1136963039 /nfs/dbraw/zinc/96/30/39/1136963039.db2.gz SWQBVODIOUDLAX-CYBMUJFWSA-N -1 0 347.827 3.658 20 0 EHADRM CC(C)N(C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])C1CCC1 ZINC000820201740 1136980299 /nfs/dbraw/zinc/98/02/99/1136980299.db2.gz DLBJQMGDIYXVAN-UHFFFAOYSA-N -1 0 327.380 3.868 20 0 EHADRM O=C(C=CSCc1ccco1)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000820465059 1136993934 /nfs/dbraw/zinc/99/39/34/1136993934.db2.gz BRBGQVLEDCAJKJ-NTMALXAHSA-N -1 0 341.392 3.761 20 0 EHADRM CCCCC1CCC(NC(=O)c2cccc(-c3nc(=O)o[n-]3)c2)CC1 ZINC001136375640 1137003933 /nfs/dbraw/zinc/00/39/33/1137003933.db2.gz WZVSUJKXLHUEDN-UHFFFAOYSA-N -1 0 343.427 3.509 20 0 EHADRM Cc1ccc(C(C)C)c(OS(=O)(=O)c2cn[n-]c2C(F)(F)F)c1 ZINC000820743526 1137004612 /nfs/dbraw/zinc/00/46/12/1137004612.db2.gz IXPUIUCHFBOOGE-UHFFFAOYSA-N -1 0 348.346 3.628 20 0 EHADRM C[C@@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1csc2ccccc21 ZINC000821053675 1137015981 /nfs/dbraw/zinc/01/59/81/1137015981.db2.gz FKQAPKCEZJTZKN-VXGBXAGGSA-N -1 0 337.466 3.533 20 0 EHADRM COc1ccccc1[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC000821116331 1137017434 /nfs/dbraw/zinc/01/74/34/1137017434.db2.gz LCCKGTLBJYFOQZ-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM CCN(CCc1cccs1)C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000821319362 1137022262 /nfs/dbraw/zinc/02/22/62/1137022262.db2.gz BOMXBHZUZTYXPU-UHFFFAOYSA-N -1 0 332.450 3.883 20 0 EHADRM Cc1cc(C=O)c([O-])c(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c1 ZINC001136432423 1137023228 /nfs/dbraw/zinc/02/32/28/1137023228.db2.gz QCEJIHCBGSQKFN-UHFFFAOYSA-N -1 0 341.260 3.923 20 0 EHADRM O=C(c1cccc(F)c1[O-])N1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000822710377 1137071532 /nfs/dbraw/zinc/07/15/32/1137071532.db2.gz NJDUTEYGSBJCTP-SFHVURJKSA-N -1 0 341.382 3.525 20 0 EHADRM [O-]C(=NOCC1CCC1)Nc1nnc(-c2cc3ccccc3o2)s1 ZINC000822867951 1137078028 /nfs/dbraw/zinc/07/80/28/1137078028.db2.gz BFVFFXHZGYEGHS-UHFFFAOYSA-N -1 0 344.396 3.805 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)CSc2ccc(F)cc2)cc1 ZINC000013402177 1137080793 /nfs/dbraw/zinc/08/07/93/1137080793.db2.gz SIENIWWVNRQORO-XCVCLJGOSA-N -1 0 331.368 3.654 20 0 EHADRM Cc1cccc(OCCCC(=O)Nc2c(C)cccc2C(=O)[O-])c1 ZINC000013432614 1137082121 /nfs/dbraw/zinc/08/21/21/1137082121.db2.gz YQVVRZCLWVVVII-UHFFFAOYSA-N -1 0 327.380 3.799 20 0 EHADRM C[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1)C1CC1 ZINC000823353238 1137095892 /nfs/dbraw/zinc/09/58/92/1137095892.db2.gz OXAFMXWHTILFJR-ACJLOTCBSA-N -1 0 325.408 3.908 20 0 EHADRM COc1ccccc1SC[C@H](C)CNC(=O)c1cccc(O)c1F ZINC001136714185 1137097847 /nfs/dbraw/zinc/09/78/47/1137097847.db2.gz FUVWWZMEYUGBKV-GFCCVEGCSA-N -1 0 349.427 3.698 20 0 EHADRM C[C@H]1CCC(C)(C)N1C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000823472969 1137101826 /nfs/dbraw/zinc/10/18/26/1137101826.db2.gz FXCZLUQJFUQVDC-LBPRGKRZSA-N -1 0 327.380 3.868 20 0 EHADRM C[C@H]1[C@@H](C)N(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])C[C@H]1C ZINC000823689022 1137109432 /nfs/dbraw/zinc/10/94/32/1137109432.db2.gz AUEALHLUWKRLLE-JHJVBQTASA-N -1 0 327.380 3.581 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cc2cccc(Cl)c2o1 ZINC000823860918 1137116629 /nfs/dbraw/zinc/11/66/29/1137116629.db2.gz POHANQGMTQNSMP-LBPRGKRZSA-N -1 0 335.787 3.946 20 0 EHADRM O=S(=O)([N-]c1ccccc1C(F)(F)F)c1cncc(Cl)c1 ZINC000339033073 1137127973 /nfs/dbraw/zinc/12/79/73/1137127973.db2.gz NSAODEKRAMWPLD-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM CC1(c2nsc([N-]C(=O)c3snc(Cl)c3Cl)n2)CC1 ZINC000862610747 1137152138 /nfs/dbraw/zinc/15/21/38/1137152138.db2.gz WUAURCDQZBITNF-UHFFFAOYSA-N -1 0 335.241 3.605 20 0 EHADRM O=C(c1c([O-])cc(F)cc1F)N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863243135 1137176908 /nfs/dbraw/zinc/17/69/08/1137176908.db2.gz LVTTVQOLXOUDIT-AEGPPILISA-N -1 0 329.346 3.546 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2cnc(C3CC3)s2)cc1 ZINC000825449672 1137178071 /nfs/dbraw/zinc/17/80/71/1137178071.db2.gz WHSKFQNPDRHIIF-VIFPVBQESA-N -1 0 331.397 3.601 20 0 EHADRM CC[C@@H](C)c1cccc([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)c1 ZINC000863417143 1137185477 /nfs/dbraw/zinc/18/54/77/1137185477.db2.gz UVAPEEFFWPAHEP-SNVBAGLBSA-N -1 0 341.864 3.696 20 0 EHADRM CCON(C(=O)c1cc(Br)cc(Cl)c1[O-])C(C)C ZINC000844150819 1137200985 /nfs/dbraw/zinc/20/09/85/1137200985.db2.gz WKQFKLKWQKOPHF-UHFFFAOYSA-N -1 0 336.613 3.610 20 0 EHADRM O=C([O-])c1nnc2ccccc2c1N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000844213812 1137204771 /nfs/dbraw/zinc/20/47/71/1137204771.db2.gz MZNYISQTOLZIPI-RHSMWYFYSA-N -1 0 349.390 3.660 20 0 EHADRM O=C([O-])CCCC(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000844247289 1137204813 /nfs/dbraw/zinc/20/48/13/1137204813.db2.gz MPZUXQZRPLPSEL-INIZCTEOSA-N -1 0 337.828 3.862 20 0 EHADRM C[C@@]1(CCNC(=O)CC2(CC(=O)[O-])CCCCC2)C[C@@]1(F)Cl ZINC000844269973 1137207419 /nfs/dbraw/zinc/20/74/19/1137207419.db2.gz YDMISOKESIQWAI-ZBFHGGJFSA-N -1 0 333.831 3.623 20 0 EHADRM CCOc1cccc([C@H](C)NC(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000864105608 1137215314 /nfs/dbraw/zinc/21/53/14/1137215314.db2.gz IMOCIYLAZWYWSM-ZDUSSCGKSA-N -1 0 327.380 3.583 20 0 EHADRM O=C([O-])CC1(NC(=O)/C=C\c2ccccc2C(F)(F)F)CCCC1 ZINC000864142693 1137217002 /nfs/dbraw/zinc/21/70/02/1137217002.db2.gz NOLFEBLUKUDCNJ-FPLPWBNLSA-N -1 0 341.329 3.622 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC000864155408 1137217354 /nfs/dbraw/zinc/21/73/54/1137217354.db2.gz QKHDBUUDZXUTIB-YLJYHZDGSA-N -1 0 331.456 3.509 20 0 EHADRM O=C([O-])C1=CC[C@@H](NC(=O)C[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000864165602 1137217621 /nfs/dbraw/zinc/21/76/21/1137217621.db2.gz PHYSMBXMXSAHML-WOJBJXKFSA-N -1 0 349.430 3.693 20 0 EHADRM CC(C)c1ccc(C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C(=O)[O-])C3)C2)cc1 ZINC000864180608 1137218137 /nfs/dbraw/zinc/21/81/37/1137218137.db2.gz WBAWJGJRRWESKS-UHOSZYNNSA-N -1 0 343.467 3.702 20 0 EHADRM CCCCN(C(=O)/C=C\c1cc(C(=O)[O-])co1)[C@@H]1CCCC[C@H]1OC ZINC000864179430 1137218197 /nfs/dbraw/zinc/21/81/97/1137218197.db2.gz VGHUWYLAJMAFTN-CZDHMLMNSA-N -1 0 349.427 3.577 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N[C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000864179628 1137218211 /nfs/dbraw/zinc/21/82/11/1137218211.db2.gz ZNYGJUMBZRWVBO-TZDAIYRESA-N -1 0 335.831 3.725 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)/C=C/c1csc(C(F)(F)F)c1)C1CC1 ZINC000864201366 1137218820 /nfs/dbraw/zinc/21/88/20/1137218820.db2.gz SXXPFNGGNCWWGE-JBQRSBCVSA-N -1 0 347.358 3.540 20 0 EHADRM CC[C@H](C)[C@@H](C)C(=O)N1CCC(c2nc(C)c(C(=O)[O-])s2)CC1 ZINC000864225581 1137219220 /nfs/dbraw/zinc/21/92/20/1137219220.db2.gz WUAOZJNBMSLBHW-WDEREUQCSA-N -1 0 338.473 3.538 20 0 EHADRM CC(C)(C)c1ncsc1C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000864226365 1137219270 /nfs/dbraw/zinc/21/92/70/1137219270.db2.gz CDKZGCJCVLKBFB-LLVKDONJSA-N -1 0 344.436 3.659 20 0 EHADRM CC[C@@H](C(=O)N[C@H](CC(=O)[O-])c1cccc(C)c1)c1ccccc1 ZINC000864227704 1137219365 /nfs/dbraw/zinc/21/93/65/1137219365.db2.gz FUNWXZRCCBQZGW-QZTJIDSGSA-N -1 0 325.408 3.821 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)[C@H]2Cc3ccc(Cl)cc32)c2ccccc21 ZINC000864228347 1137219461 /nfs/dbraw/zinc/21/94/61/1137219461.db2.gz OGXOSLZJLNOHTD-LRDDRELGSA-N -1 0 341.794 3.585 20 0 EHADRM Cc1c(NC(=O)c2n[n-]c3ccccc3c2=O)cccc1C(F)(F)F ZINC000119978276 1137221608 /nfs/dbraw/zinc/22/16/08/1137221608.db2.gz OFEKBXZXELVNEA-UHFFFAOYSA-N -1 0 347.296 3.503 20 0 EHADRM Cc1ncc(S(=O)(=O)[N-]c2cccc(-c3cccs3)c2)s1 ZINC000339069425 1137230989 /nfs/dbraw/zinc/23/09/89/1137230989.db2.gz DRDHNSOPSZBHAV-UHFFFAOYSA-N -1 0 336.463 3.981 20 0 EHADRM O=C([O-])CCCc1ccccc1NCc1cccnc1Br ZINC000864512851 1137231083 /nfs/dbraw/zinc/23/10/83/1137231083.db2.gz PFHJKNWANBKTHJ-UHFFFAOYSA-N -1 0 349.228 3.864 20 0 EHADRM CC(C)c1nn(C)c(Cl)c1CNc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000864521443 1137232162 /nfs/dbraw/zinc/23/21/62/1137232162.db2.gz BCBKYSWQJXADFZ-UONOGXRCSA-N -1 0 347.846 3.997 20 0 EHADRM CCCCCC[C@](C)(NC(=O)N[C@H](C)c1cnc(C)s1)C(=O)[O-] ZINC000864542550 1137234050 /nfs/dbraw/zinc/23/40/50/1137234050.db2.gz OMFKMDRUWNEMKE-BZNIZROVSA-N -1 0 341.477 3.625 20 0 EHADRM CCCCC[C@H](NC(=O)Nc1cccc(C2CCOCC2)c1)C(=O)[O-] ZINC000864582806 1137235414 /nfs/dbraw/zinc/23/54/14/1137235414.db2.gz HTRYXFIWARKIDS-KRWDZBQOSA-N -1 0 348.443 3.736 20 0 EHADRM CC(C)(c1ccc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cc1)C(F)(F)F ZINC000864604263 1137236523 /nfs/dbraw/zinc/23/65/23/1137236523.db2.gz SCTLDYSTVFNTNC-WVSHTKLVSA-N -1 0 344.333 3.511 20 0 EHADRM CN(C(=O)c1cc(Br)cc(F)c1[O-])C(C1CC1)C1CC1 ZINC000865063077 1137260976 /nfs/dbraw/zinc/26/09/76/1137260976.db2.gz QBCWDFVJFALAHS-UHFFFAOYSA-N -1 0 342.208 3.554 20 0 EHADRM O=C(Cc1ccc(O)c(F)c1)Nc1cc(F)c(Cl)nc1Cl ZINC001144615787 1137318596 /nfs/dbraw/zinc/31/85/96/1137318596.db2.gz CDBHSOSDLCRIHI-UHFFFAOYSA-N -1 0 333.121 3.553 20 0 EHADRM C[C@H]1CN(C(=O)c2cccc(Cl)c2[O-])CCc2ccc(F)cc21 ZINC000846617763 1137359412 /nfs/dbraw/zinc/35/94/12/1137359412.db2.gz NLLSERUYHQBZRI-NSHDSACASA-N -1 0 333.790 3.987 20 0 EHADRM O=C([N-]OCCC(F)(F)F)/C(=C\c1ccccc1)C(F)(F)F ZINC000867550632 1137381505 /nfs/dbraw/zinc/38/15/05/1137381505.db2.gz PKSRMUUXHHYUKN-CSKARUKUSA-N -1 0 327.224 3.633 20 0 EHADRM CO[C@H](CNC(=O)c1cc(Cl)c2ccccc2c1[O-])C(F)(F)F ZINC001145060006 1137384453 /nfs/dbraw/zinc/38/44/53/1137384453.db2.gz VOGSSCHFXVHTSF-GFCCVEGCSA-N -1 0 347.720 3.506 20 0 EHADRM CC[C@@H](C)C[C@@H](C)NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC001147862967 1137414377 /nfs/dbraw/zinc/41/43/77/1137414377.db2.gz ZFLHVBOXVLOLDX-DGCLKSJQSA-N -1 0 333.407 3.580 20 0 EHADRM COc1cccc(C(=O)Nc2ccc3[n-]c(=S)sc3c2)c1O ZINC001148202751 1137420367 /nfs/dbraw/zinc/42/03/67/1137420367.db2.gz RBOPYTKVEOHQCN-UHFFFAOYSA-N -1 0 332.406 3.552 20 0 EHADRM CCc1oc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1C(=O)[O-] ZINC000339087057 1137434976 /nfs/dbraw/zinc/43/49/76/1137434976.db2.gz VTVRWHQDJITYAB-UHFFFAOYSA-N -1 0 343.257 3.691 20 0 EHADRM C[C@@H](CCCC(C)(C)O)NC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001148812688 1137435510 /nfs/dbraw/zinc/43/55/10/1137435510.db2.gz YJTKFYSKTGNTAB-VIFPVBQESA-N -1 0 334.243 3.759 20 0 EHADRM CCCC1(C(=O)Nc2cc(F)cc(C[N-]C(=O)C(F)(F)F)c2)CC1 ZINC000870768994 1137509508 /nfs/dbraw/zinc/50/95/08/1137509508.db2.gz MGQXLDBYNKPMSF-UHFFFAOYSA-N -1 0 346.324 3.523 20 0 EHADRM O=C(NCC1([C@H]2CCCCO2)CCC1)c1ccc2oc(=S)[n-]c2c1 ZINC000871044531 1137519687 /nfs/dbraw/zinc/51/96/87/1137519687.db2.gz JUICYWORMLMWAN-OAHLLOKOSA-N -1 0 346.452 3.586 20 0 EHADRM CCOc1ccccc1C(F)(F)C(=O)[N-]OCCCC(F)(F)F ZINC000871215048 1137527810 /nfs/dbraw/zinc/52/78/10/1137527810.db2.gz ZLCODTVEYRSKMS-UHFFFAOYSA-N -1 0 341.276 3.567 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCC[C@H](OC2CCC2)CC1 ZINC000871327805 1137536728 /nfs/dbraw/zinc/53/67/28/1137536728.db2.gz BGBIXUXDKDQEDN-ZDUSSCGKSA-N -1 0 341.810 3.749 20 0 EHADRM COCCOc1ccccc1CNc1ccc(C)c(C(=O)[O-])c1C ZINC000871885551 1137562435 /nfs/dbraw/zinc/56/24/35/1137562435.db2.gz YQKQUHOVABOWMD-UHFFFAOYSA-N -1 0 329.396 3.639 20 0 EHADRM O=c1cc(-c2cccc(Cl)c2)[n-]n1[C@@H]1CCOC2(CCCC2)C1 ZINC000871964673 1137563840 /nfs/dbraw/zinc/56/38/40/1137563840.db2.gz WXUFMMDSKLTBMQ-OAHLLOKOSA-N -1 0 332.831 3.768 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(Cl)cc2)noc1C(C)(C)C ZINC000872007431 1137564412 /nfs/dbraw/zinc/56/44/12/1137564412.db2.gz QVYGEAPHIYVVHX-UHFFFAOYSA-N -1 0 328.821 3.735 20 0 EHADRM CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(F)cc2C(C)(F)F)c1 ZINC000872404144 1137579364 /nfs/dbraw/zinc/57/93/64/1137579364.db2.gz LLJJROKMPUDGNM-UHFFFAOYSA-N -1 0 347.362 3.516 20 0 EHADRM Cc1cc([C@@H]2CCN(C(=O)c3cccc(F)c3[O-])C2)c(O)cc1Cl ZINC000825606156 1137580403 /nfs/dbraw/zinc/58/04/03/1137580403.db2.gz RSQXTFHPSXHHBE-LLVKDONJSA-N -1 0 349.789 3.828 20 0 EHADRM CCC[C@@H](CC)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000872712753 1137583032 /nfs/dbraw/zinc/58/30/32/1137583032.db2.gz ZZYBYUXNCLIEGW-GFCCVEGCSA-N -1 0 328.412 3.577 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)c1ccc(-c3ccccc3)cc1)CC2 ZINC000872770021 1137584189 /nfs/dbraw/zinc/58/41/89/1137584189.db2.gz MDMMLZIXEGKJKC-NQIIRXRSSA-N -1 0 335.403 3.823 20 0 EHADRM CC(C)c1ccc([C@](C)(CC(=O)[O-])C(=O)N[C@@H](C)c2ccc[nH]2)cc1 ZINC000872853274 1137585588 /nfs/dbraw/zinc/58/55/88/1137585588.db2.gz RCIMPRHQDOLPQF-XOBRGWDASA-N -1 0 342.439 3.748 20 0 EHADRM CC(C)c1ccc([C@](C)(CC(=O)[O-])C(=O)N[C@H](C)c2ccc[nH]2)cc1 ZINC000872853272 1137585608 /nfs/dbraw/zinc/58/56/08/1137585608.db2.gz RCIMPRHQDOLPQF-VLIAUNLRSA-N -1 0 342.439 3.748 20 0 EHADRM CC(C)C[C@@](C)(CC(=O)[O-])C(=O)NCC[C@@]1(C)CC1(Cl)Cl ZINC000872871784 1137585816 /nfs/dbraw/zinc/58/58/16/1137585816.db2.gz IINDCBAEGFHEAO-KBPBESRZSA-N -1 0 338.275 3.604 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)[C@@](C)(CC)CC(=O)[O-])c1nc2ccccc2[nH]1 ZINC000872906362 1137586408 /nfs/dbraw/zinc/58/64/08/1137586408.db2.gz AEPSJTCLAFNVTF-MOFZMDFASA-N -1 0 345.443 3.657 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@@H]2CC3(CCC3)Oc3ccccc32)CCCC1 ZINC000872953186 1137586868 /nfs/dbraw/zinc/58/68/68/1137586868.db2.gz ATRMIGJLHURKOD-OAHLLOKOSA-N -1 0 343.423 3.584 20 0 EHADRM O=C([O-])C1=C(C(=O)Nc2ccccc2NCC(F)(F)F)CCCC1 ZINC000872949681 1137586920 /nfs/dbraw/zinc/58/69/20/1137586920.db2.gz LNFIXBZXOGWWMS-UHFFFAOYSA-N -1 0 342.317 3.555 20 0 EHADRM Cc1ccc(C)c([C@H]2CCCN2C(=O)C(C)(C)SCC(=O)[O-])c1 ZINC000872952919 1137586951 /nfs/dbraw/zinc/58/69/51/1137586951.db2.gz UZMNQJQCYUGSIJ-OAHLLOKOSA-N -1 0 335.469 3.563 20 0 EHADRM CC(=O)c1ccc(C(=O)N[C@H](c2ccc(F)cc2F)C2CC2)cc1O ZINC001137068864 1137594195 /nfs/dbraw/zinc/59/41/95/1137594195.db2.gz NWGGYKGHTSKCDV-SFHVURJKSA-N -1 0 345.345 3.754 20 0 EHADRM COc1cc(F)c(NC(=O)c2ccc3[n-]c(=S)oc3c2)cc1F ZINC000124791045 1137609452 /nfs/dbraw/zinc/60/94/52/1137609452.db2.gz BWBFHKBSNQMLSZ-UHFFFAOYSA-N -1 0 336.319 3.656 20 0 EHADRM CCOc1cc(CC(=O)[O-])c(-c2ccc(C=O)s2)cc1OCC ZINC000874972834 1137627335 /nfs/dbraw/zinc/62/73/35/1137627335.db2.gz OPRGRQXEZQAETM-UHFFFAOYSA-N -1 0 334.393 3.652 20 0 EHADRM O=C(COC(=O)c1cc2ccsc2[nH]1)Nc1ccccc1Cl ZINC000023345593 1137748836 /nfs/dbraw/zinc/74/88/36/1137748836.db2.gz OECFWCUCXRWDOL-UHFFFAOYSA-N -1 0 334.784 3.678 20 0 EHADRM O=S(=O)(CC=C(Cl)Cl)[N-][C@@H](c1ccccc1)C(F)(F)F ZINC000881793629 1137815524 /nfs/dbraw/zinc/81/55/24/1137815524.db2.gz RTSKOQJABQNKAI-JTQLQIEISA-N -1 0 348.173 3.528 20 0 EHADRM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]c2cnn(C)c2Cl)c1 ZINC000882763676 1137833702 /nfs/dbraw/zinc/83/37/02/1137833702.db2.gz VHWABBUKSKNONT-UHFFFAOYSA-N -1 0 348.255 3.651 20 0 EHADRM Cc1cc(C(=O)[N-]S(=O)(=O)[C@H](C)c2ccccc2)c(C)n1C(C)C ZINC000131699872 1137859197 /nfs/dbraw/zinc/85/91/97/1137859197.db2.gz UYRXDHBYBDIFCA-OAHLLOKOSA-N -1 0 348.468 3.507 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N(Cc2ccccc2)C(C)C)cc1 ZINC000107946613 1137888253 /nfs/dbraw/zinc/88/82/53/1137888253.db2.gz CIARNZSERFGEEG-QHCPKHFHSA-N -1 0 329.465 3.540 20 0 EHADRM CC[C@@H](NC(=O)CC1(C(=O)[O-])CCCC1)c1ccc(F)cc1F ZINC000348281330 1137893324 /nfs/dbraw/zinc/89/33/24/1137893324.db2.gz MMUPDDHIRRYPPX-CQSZACIVSA-N -1 0 325.355 3.567 20 0 EHADRM CCC[C@H]1CCCCN1C(=O)N=c1[n-]nc(-c2ccsc2)s1 ZINC000331878136 1137924025 /nfs/dbraw/zinc/92/40/25/1137924025.db2.gz CLAIHNAOZYWJFC-LBPRGKRZSA-N -1 0 336.486 3.875 20 0 EHADRM C[C@@H]1CN(C(=O)N=c2[n-]nc(-c3ccsc3)s2)CC(C)(C)C1 ZINC000331907395 1137925215 /nfs/dbraw/zinc/92/52/15/1137925215.db2.gz HRBGYPIFDVIUHJ-JTQLQIEISA-N -1 0 336.486 3.588 20 0 EHADRM CC[C@@H]1CC[C@H](C)N1C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000332156090 1137933887 /nfs/dbraw/zinc/93/38/87/1137933887.db2.gz UIYFIFNYDOFEON-WCQYABFASA-N -1 0 333.819 3.634 20 0 EHADRM O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1s[n-]c(=O)c1Cl ZINC001137209165 1137958748 /nfs/dbraw/zinc/95/87/48/1137958748.db2.gz VWAMRENCHORFHP-NKWVEPMBSA-N -1 0 342.770 3.601 20 0 EHADRM CCC[C@H]1CCC[C@H]1C(=O)OCc1nnc(-c2ccccc2O)o1 ZINC000884531536 1137962355 /nfs/dbraw/zinc/96/23/55/1137962355.db2.gz OYSZHMMXEIKIHW-QWHCGFSZSA-N -1 0 330.384 3.702 20 0 EHADRM C[C@@]1(Cc2cccs2)CCCN1C(=O)c1s[n-]c(=O)c1Cl ZINC000885253442 1137992825 /nfs/dbraw/zinc/99/28/25/1137992825.db2.gz KCESDXOCZNEURB-AWEZNQCLSA-N -1 0 342.873 3.801 20 0 EHADRM COc1c(F)cc(Nc2cc(=O)[n-]c(Cl)n2)cc1C(F)(F)F ZINC001214637067 1138025970 /nfs/dbraw/zinc/02/59/70/1138025970.db2.gz DPSLQTMOPWREHC-UHFFFAOYSA-N -1 0 337.660 3.746 20 0 EHADRM CCCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cn(C)nc1CC ZINC000886403951 1138073437 /nfs/dbraw/zinc/07/34/37/1138073437.db2.gz ZGBXMAMQFJEMLV-UHFFFAOYSA-N -1 0 349.500 3.859 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)cnc1C ZINC000886433738 1138076363 /nfs/dbraw/zinc/07/63/63/1138076363.db2.gz STKYTAFQQXTEKI-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM CCSCc1cccnc1[N-]S(=O)(=O)c1sccc1C ZINC000886445125 1138078763 /nfs/dbraw/zinc/07/87/63/1138078763.db2.gz WVWMOMDMEGAXQK-UHFFFAOYSA-N -1 0 328.484 3.505 20 0 EHADRM Cc1ccc(C)c(C(=O)N[C@H]2c3ccccc3CC[C@H]2F)c1C(=O)[O-] ZINC000887317456 1138263764 /nfs/dbraw/zinc/26/37/64/1138263764.db2.gz KSSWLQNTJNVGAM-QAPCUYQASA-N -1 0 341.382 3.757 20 0 EHADRM Cc1ccc(C)c(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2F)c1C(=O)[O-] ZINC000887317455 1138263775 /nfs/dbraw/zinc/26/37/75/1138263775.db2.gz KSSWLQNTJNVGAM-MAUKXSAKSA-N -1 0 341.382 3.757 20 0 EHADRM Cc1coc(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)c1 ZINC000887327150 1138267207 /nfs/dbraw/zinc/26/72/07/1138267207.db2.gz YOTOZDYAMGZMOS-UHFFFAOYSA-N -1 0 328.368 3.529 20 0 EHADRM CC(C)(C)n1cc(-c2csc(-c3cccc(C(=O)[O-])c3)n2)nn1 ZINC000887402039 1138307109 /nfs/dbraw/zinc/30/71/09/1138307109.db2.gz PLNFECHJEOWIPL-UHFFFAOYSA-N -1 0 328.397 3.522 20 0 EHADRM CCCCc1nnc(NC(=O)c2ncoc2-c2ccc(F)cc2)s1 ZINC000128802856 1138397867 /nfs/dbraw/zinc/39/78/67/1138397867.db2.gz JITLFKQVSXMRRK-UHFFFAOYSA-N -1 0 346.387 3.927 20 0 EHADRM CC(=O)c1cccc([N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)c1 ZINC000348437137 1138416651 /nfs/dbraw/zinc/41/66/51/1138416651.db2.gz CJDFTVDUSVDUGR-UHFFFAOYSA-N -1 0 347.367 3.884 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)c(C2CC2)c1 ZINC000337149457 1138480157 /nfs/dbraw/zinc/48/01/57/1138480157.db2.gz HVXTWOCYKSTLIR-UHFFFAOYSA-N -1 0 349.383 3.511 20 0 EHADRM CO[C@H](C)c1nc(=N[C@H]2CC(C)(C)Oc3cc(F)ccc32)s[n-]1 ZINC000337786346 1138667445 /nfs/dbraw/zinc/66/74/45/1138667445.db2.gz BMBBHWOXGJIGKM-SKDRFNHKSA-N -1 0 337.420 3.521 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@H]2CCCOc3cc(Cl)ccc32)s[n-]1 ZINC000337885383 1138690517 /nfs/dbraw/zinc/69/05/17/1138690517.db2.gz XMNHPFNWWKGHFG-CABZTGNLSA-N -1 0 339.848 3.647 20 0 EHADRM CO[C@H](C)c1nsc(=NCCCO[C@H]2CCCc3ccccc32)[n-]1 ZINC000337886431 1138691247 /nfs/dbraw/zinc/69/12/47/1138691247.db2.gz YGEJYWIDQXHXSK-CJNGLKHVSA-N -1 0 347.484 3.564 20 0 EHADRM CO[C@H](C)c1nc(=N[C@@H](C)c2ccc(-c3ccncc3)cc2)s[n-]1 ZINC000337886332 1138691370 /nfs/dbraw/zinc/69/13/70/1138691370.db2.gz YCXIEMYOLGZIQG-QWHCGFSZSA-N -1 0 340.452 3.903 20 0 EHADRM CCC[C@H](NC(=O)c1oc2c(ccc3ccccc23)c1C)c1nnn[n-]1 ZINC000136712011 1138810077 /nfs/dbraw/zinc/81/00/77/1138810077.db2.gz XOPJQXSUDUDUMN-HNNXBMFYSA-N -1 0 349.394 3.679 20 0 EHADRM CC(C)(C)c1coc(CNC(=O)C(F)(F)c2c(F)cccc2F)n1 ZINC000889559027 1139233345 /nfs/dbraw/zinc/23/33/45/1139233345.db2.gz GOZLGLCUMDYJOL-UHFFFAOYSA-N -1 0 344.308 3.659 20 0 EHADRM CC(C)c1noc([C@H](C)ONC(=O)Cc2cccc3ccccc32)n1 ZINC000174119356 1139400257 /nfs/dbraw/zinc/40/02/57/1139400257.db2.gz DYZXUZWVYSNCCP-ZDUSSCGKSA-N -1 0 339.395 3.698 20 0 EHADRM CCC[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(C)c1Cl)C(C)C ZINC000777356929 1139821317 /nfs/dbraw/zinc/82/13/17/1139821317.db2.gz NJWZFCKQBNVJEW-GFCCVEGCSA-N -1 0 331.865 3.526 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)c1sc(CC)nc1C)C(=O)[O-] ZINC000777372728 1139916414 /nfs/dbraw/zinc/91/64/14/1139916414.db2.gz XAHYWOOTVIZLKG-MRXNPFEDSA-N -1 0 326.462 3.557 20 0 EHADRM CC[C@H]([N-]C(=O)C(F)(F)F)c1cc(F)cc(Br)c1 ZINC000777396379 1140053119 /nfs/dbraw/zinc/05/31/19/1140053119.db2.gz QIWQUYPTWVPJEB-VIFPVBQESA-N -1 0 328.103 3.718 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000184543616 1140108165 /nfs/dbraw/zinc/10/81/65/1140108165.db2.gz MLWMPSFBQSPICJ-XJKSGUPXSA-N -1 0 347.386 3.633 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCC[C@H]1c1cccs1 ZINC000184911430 1140125258 /nfs/dbraw/zinc/12/52/58/1140125258.db2.gz PPWPXGBUHDNNQN-JTQLQIEISA-N -1 0 327.327 3.848 20 0 EHADRM COCCCCN(Cc1ccccc1)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000186695512 1140217431 /nfs/dbraw/zinc/21/74/31/1140217431.db2.gz IBUFKSYWZWHLBY-UHFFFAOYSA-N -1 0 349.377 3.739 20 0 EHADRM O=C(c1c([O-])cc(Cl)cc1Cl)N1CCC([C@@H]2CCCO2)CC1 ZINC000187517075 1140259223 /nfs/dbraw/zinc/25/92/23/1140259223.db2.gz KLDMZBRWGAGUQY-AWEZNQCLSA-N -1 0 344.238 3.730 20 0 EHADRM CC[C@H](C)n1ncc(C(=O)Nc2cc(C(=O)[O-])ccc2C)c1C1CC1 ZINC000190871375 1140422601 /nfs/dbraw/zinc/42/26/01/1140422601.db2.gz NYCFKQRJIDNNJV-LBPRGKRZSA-N -1 0 341.411 3.990 20 0 EHADRM CCOc1cccc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC000191442846 1140464511 /nfs/dbraw/zinc/46/45/11/1140464511.db2.gz NXXGEEKJTUPPQF-ZDUSSCGKSA-N -1 0 327.380 3.601 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cccc(C)c2F)cnn1C1CCCC1 ZINC000194230214 1140602748 /nfs/dbraw/zinc/60/27/48/1140602748.db2.gz NQRGYXZOFQZORN-UHFFFAOYSA-N -1 0 337.420 3.555 20 0 EHADRM C[C@@H](NC(=O)C1CCC(C(=O)[O-])CC1)c1cccc2ccccc21 ZINC000194384122 1140606896 /nfs/dbraw/zinc/60/68/96/1140606896.db2.gz QFSZVKJQSHCBGE-IUDNXUCKSA-N -1 0 325.408 3.908 20 0 EHADRM C[C@@H]1CCN(C(=O)C2CCC(C(=O)[O-])CC2)[C@@H]1c1cccc(F)c1 ZINC000194433840 1140609541 /nfs/dbraw/zinc/60/95/41/1140609541.db2.gz NWGCAJMWRFDIKV-WNZJFKNXSA-N -1 0 333.403 3.626 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@@H](c2ccccc2)C2CC2)cc1C ZINC000194493183 1140612287 /nfs/dbraw/zinc/61/22/87/1140612287.db2.gz ADFKQFGJTCDRFD-GBXCKJPGSA-N -1 0 341.476 3.679 20 0 EHADRM CC(C)c1csc(CNC(=O)c2cc(F)c([O-])c(Cl)c2)n1 ZINC000194859665 1140623188 /nfs/dbraw/zinc/62/31/88/1140623188.db2.gz SRYWHNIDOZVTDQ-UHFFFAOYSA-N -1 0 328.796 3.695 20 0 EHADRM CC(C)C[C@@H]1CCCN(C(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)C1 ZINC000268273037 1140912788 /nfs/dbraw/zinc/91/27/88/1140912788.db2.gz CQJUIOWTRRUVJI-LBPRGKRZSA-N -1 0 345.468 3.522 20 0 EHADRM O=C(N[C@@H]1CCOC2(CCC2)C1)c1c([O-])cc(Cl)cc1Cl ZINC000269048073 1141054841 /nfs/dbraw/zinc/05/48/41/1141054841.db2.gz MTDZMHXJWUFLCU-SNVBAGLBSA-N -1 0 330.211 3.531 20 0 EHADRM COc1cc2c(c(/C=C\c3nc(C(=O)[O-])c(C)s3)c1)O[C@H](C)C2 ZINC000339113453 1141501159 /nfs/dbraw/zinc/50/11/59/1141501159.db2.gz AJGJHLYHWDKODY-XRVBUDJMSA-N -1 0 331.393 3.652 20 0 EHADRM O=C([N-]c1nc(Sc2ccccc2)ns1)c1ocnc1C1CC1 ZINC000348529210 1141546693 /nfs/dbraw/zinc/54/66/93/1141546693.db2.gz DPCLHPZTIHLYLV-UHFFFAOYSA-N -1 0 344.421 3.807 20 0 EHADRM CCn1cc(S(=O)(=O)[N-]c2cc(Cl)c(C)cc2Cl)nc1C ZINC000348886182 1141604267 /nfs/dbraw/zinc/60/42/67/1141604267.db2.gz LBHPHMLEYLNNMU-UHFFFAOYSA-N -1 0 348.255 3.627 20 0 EHADRM O=C([O-])c1sccc1NC(=O)c1cc(F)ccc1Br ZINC000022142683 202080388 /nfs/dbraw/zinc/08/03/88/202080388.db2.gz IGNXBXQXJMWDTE-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N2CCCC[C@@H]2CC(=O)[O-])c1 ZINC000038026607 202088652 /nfs/dbraw/zinc/08/86/52/202088652.db2.gz YGKIUXQLTOWKAL-SNVBAGLBSA-N -1 0 327.833 3.531 20 0 EHADRM COc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C)cc1Cl ZINC000026546399 202145396 /nfs/dbraw/zinc/14/53/96/202145396.db2.gz RMBIXEJTIQLNHX-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000299743988 564150541 /nfs/dbraw/zinc/15/05/41/564150541.db2.gz NCMBHWZEUNRNDY-JTQLQIEISA-N -1 0 347.308 3.562 20 0 EHADRM Cc1ccc(Cl)c(Oc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000737343868 598954481 /nfs/dbraw/zinc/95/44/81/598954481.db2.gz WNICBOQOZGODQL-UHFFFAOYSA-N -1 0 338.758 3.564 20 0 EHADRM Clc1cccc(Sc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000737576094 598965927 /nfs/dbraw/zinc/96/59/27/598965927.db2.gz UNEFNUYJPCQKBX-UHFFFAOYSA-N -1 0 340.799 3.615 20 0 EHADRM CC[C@H](C)Sc1ccc(NC(=O)N2CC[C@@H](C(=O)[O-])C2)c(C)c1 ZINC000263511924 596911037 /nfs/dbraw/zinc/91/10/37/596911037.db2.gz YAQOOQYJVMOBCH-QWHCGFSZSA-N -1 0 336.457 3.824 20 0 EHADRM O=C([O-])C1CCN(C(=O)CCCSc2ccc(Cl)cc2)CC1 ZINC000013167127 596933910 /nfs/dbraw/zinc/93/39/10/596933910.db2.gz IWMGWEHWBDCUGD-UHFFFAOYSA-N -1 0 341.860 3.536 20 0 EHADRM Cc1cc([C@H](C)NC(=O)Nc2ccccc2CC(=O)[O-])ccc1F ZINC000818801469 596934147 /nfs/dbraw/zinc/93/41/47/596934147.db2.gz YVXYGVWHUNJROR-LBPRGKRZSA-N -1 0 330.359 3.644 20 0 EHADRM C[C@@H](SCc1csc(COc2ccc(F)cc2)n1)C(=O)[O-] ZINC000739058448 597071542 /nfs/dbraw/zinc/07/15/42/597071542.db2.gz ZRRJIXAJUJHJQP-SECBINFHSA-N -1 0 327.402 3.568 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)C1 ZINC000514861797 597097306 /nfs/dbraw/zinc/09/73/06/597097306.db2.gz SHAZWUMLYSTTNT-ZOCIIQOWSA-N -1 0 337.419 3.657 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)CCc2ccc(Cl)c(Cl)c2)C1 ZINC000533190224 597102251 /nfs/dbraw/zinc/10/22/51/597102251.db2.gz UPWLRMOEILKTNT-LBPRGKRZSA-N -1 0 344.238 3.639 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)Nc2ccc(-c3nccs3)cc2)C1 ZINC000562806558 597116102 /nfs/dbraw/zinc/11/61/02/597116102.db2.gz MPHXNXZEGPZEPB-GFCCVEGCSA-N -1 0 345.424 3.529 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)Nc2cccc(CC(=O)[O-])c2)c(C)s1 ZINC000321352545 597182609 /nfs/dbraw/zinc/18/26/09/597182609.db2.gz SENHRBPUULHVOI-LLVKDONJSA-N -1 0 332.425 3.875 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N[C@@H](c2cccs2)C2CC2)c1 ZINC000738624736 597185229 /nfs/dbraw/zinc/18/52/29/597185229.db2.gz RYPGAYUJVQZFTO-MRXNPFEDSA-N -1 0 330.409 3.648 20 0 EHADRM CC(C)(NC(=O)Nc1cccc(CC(=O)[O-])c1)c1cccc(F)c1 ZINC000737596026 597204132 /nfs/dbraw/zinc/20/41/32/597204132.db2.gz SBXBQJHXZYRRBC-UHFFFAOYSA-N -1 0 330.359 3.510 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)Nc1ccccc1CC(=O)[O-])C(C)C ZINC000818963486 597326560 /nfs/dbraw/zinc/32/65/60/597326560.db2.gz FTIATTNFDDORFS-KRWDZBQOSA-N -1 0 341.411 3.536 20 0 EHADRM C[C@@H](CCNC(=O)Nc1ccccc1CC(=O)[O-])c1ccccc1 ZINC000324955579 597332710 /nfs/dbraw/zinc/33/27/10/597332710.db2.gz IIKZWDWVNPCUGL-AWEZNQCLSA-N -1 0 326.396 3.629 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N[C@H](c1cccs1)C1CC1 ZINC000819609450 597336947 /nfs/dbraw/zinc/33/69/47/597336947.db2.gz JBWCVKQJNCSEOY-INIZCTEOSA-N -1 0 330.409 3.648 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccccc1CC(=O)[O-])c1ccccc1OC ZINC000818143821 597339810 /nfs/dbraw/zinc/33/98/10/597339810.db2.gz YCDZSLCGBRODFD-OAHLLOKOSA-N -1 0 342.395 3.595 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)NC1CCC(C(F)(F)F)CC1 ZINC000819608841 597342106 /nfs/dbraw/zinc/34/21/06/597342106.db2.gz CTWAOOWLABHWLY-UHFFFAOYSA-N -1 0 344.333 3.556 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)NCc1cc2ccccc2s1 ZINC000819618195 597342413 /nfs/dbraw/zinc/34/24/13/597342413.db2.gz PNVDBVANTAOKQU-UHFFFAOYSA-N -1 0 340.404 3.850 20 0 EHADRM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000820228142 597650178 /nfs/dbraw/zinc/65/01/78/597650178.db2.gz MOWCIWKLGPMENK-ZYHUDNBSSA-N -1 0 344.333 3.508 20 0 EHADRM O=C([O-])CCCCSc1nnc(Cc2c(F)cccc2Cl)o1 ZINC000738575579 597754251 /nfs/dbraw/zinc/75/42/51/597754251.db2.gz BKLKLDVXMFCMPW-UHFFFAOYSA-N -1 0 344.795 3.800 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000821539675 598084389 /nfs/dbraw/zinc/08/43/89/598084389.db2.gz ODADDWDCKKBUGH-QGZVFWFLSA-N -1 0 342.370 3.652 20 0 EHADRM C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)NCCCCC(=O)[O-] ZINC000666558794 598167489 /nfs/dbraw/zinc/16/74/89/598167489.db2.gz YBWQUXRXCWENNT-LLVKDONJSA-N -1 0 346.349 3.663 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N[C@H](c1ccccc1)c1cccnc1 ZINC000821474976 598177511 /nfs/dbraw/zinc/17/75/11/598177511.db2.gz OUEVBQRGOGVSJW-GOSISDBHSA-N -1 0 347.374 3.691 20 0 EHADRM O=C([O-])c1cccc(CN[C@H](c2ccc(F)cc2)c2cccnc2)c1 ZINC000821551568 598203777 /nfs/dbraw/zinc/20/37/77/598203777.db2.gz NLSWCOWSUMJHRQ-LJQANCHMSA-N -1 0 336.366 3.798 20 0 EHADRM CCC(C)(C)OCc1cccc(NC(=O)N2CCC[C@@H]2C(=O)[O-])c1C ZINC000820261163 598207302 /nfs/dbraw/zinc/20/73/02/598207302.db2.gz FMWSGKRSOZWLPR-MRXNPFEDSA-N -1 0 348.443 3.781 20 0 EHADRM CCCC[C@@H](Sc1nc2ccccc2c(=O)n1C(C)C)C(=O)[O-] ZINC000736984484 599709889 /nfs/dbraw/zinc/70/98/89/599709889.db2.gz JEQIAOFFNWFGCS-CQSZACIVSA-N -1 0 334.441 3.713 20 0 EHADRM CCCN(Cc1cc(C(=O)[O-])c(C)o1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000737020368 599714436 /nfs/dbraw/zinc/71/44/36/599714436.db2.gz WNGBLAZXEWKCOQ-ZDUSSCGKSA-N -1 0 344.411 3.525 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N2CCC[C@H]2c2ccncc2)ccc1F ZINC000740006674 599716235 /nfs/dbraw/zinc/71/62/35/599716235.db2.gz VGAMQBGDLYAMOO-HNNXBMFYSA-N -1 0 344.346 3.680 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)NCc2cccc(Cl)c2)ccc1F ZINC000740007087 599716264 /nfs/dbraw/zinc/71/62/64/599716264.db2.gz HEQVNOYXEFXWEP-UHFFFAOYSA-N -1 0 337.738 3.891 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCCNC(=O)[O-] ZINC000736719811 599717251 /nfs/dbraw/zinc/71/72/51/599717251.db2.gz YCDXIZDSDGROES-VIFPVBQESA-N -1 0 333.215 3.561 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N[C@@H]2CCOc3ccccc32)ccc1F ZINC000740004498 599718365 /nfs/dbraw/zinc/71/83/65/599718365.db2.gz COYJKAMSRZIUJZ-CYBMUJFWSA-N -1 0 345.330 3.561 20 0 EHADRM O=C([O-])NCCCC(=O)N(Cc1ccco1)c1cccc(Cl)c1 ZINC000739953213 599719008 /nfs/dbraw/zinc/71/90/08/599719008.db2.gz IJUTYLGWASQSLA-UHFFFAOYSA-N -1 0 336.775 3.514 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cc3cc(Cl)ccc3o2)c1O ZINC000739480371 599719844 /nfs/dbraw/zinc/71/98/44/599719844.db2.gz OVXCYWDBVLHIIS-UHFFFAOYSA-N -1 0 331.711 3.742 20 0 EHADRM COc1ccc([C@H](C)C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)cc1 ZINC000737945529 599726765 /nfs/dbraw/zinc/72/67/65/599726765.db2.gz AXEWAQPBGNLRFV-LBPRGKRZSA-N -1 0 328.368 3.552 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21)c1ccccc1 ZINC000238022717 599729183 /nfs/dbraw/zinc/72/91/83/599729183.db2.gz REDMFYXIKZKPGR-XUVXKRRUSA-N -1 0 345.398 3.885 20 0 EHADRM CC(C)C[C@H](C)CC(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC000736404134 599732923 /nfs/dbraw/zinc/73/29/23/599732923.db2.gz RLFCADHZNKVLPW-JTQLQIEISA-N -1 0 335.429 3.847 20 0 EHADRM CCN(Cc1c(F)cccc1F)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000737101544 599735752 /nfs/dbraw/zinc/73/57/52/599735752.db2.gz CCRVLVLKPUEXPZ-UHFFFAOYSA-N -1 0 334.322 3.717 20 0 EHADRM Cc1sc(NC(=O)CCCN(C)C(=O)[O-])nc1-c1ccc(C)cc1 ZINC000738491439 599735998 /nfs/dbraw/zinc/73/59/98/599735998.db2.gz YLSWMQGCUVKZNS-UHFFFAOYSA-N -1 0 347.440 3.755 20 0 EHADRM CCN(C(=O)CCCN(C)C(=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000737052035 599739301 /nfs/dbraw/zinc/73/93/01/599739301.db2.gz DXXIYBVJEWRDKK-CYBMUJFWSA-N -1 0 332.400 3.732 20 0 EHADRM CCN(C(=O)CCCN(C)C(=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000737052036 599739618 /nfs/dbraw/zinc/73/96/18/599739618.db2.gz DXXIYBVJEWRDKK-ZDUSSCGKSA-N -1 0 332.400 3.732 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)CCCSc1ccc(Cl)cc1)C(=O)[O-] ZINC000315821056 599742375 /nfs/dbraw/zinc/74/23/75/599742375.db2.gz XGLKFOQGTWCTRP-NHYWBVRUSA-N -1 0 343.876 3.828 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1 ZINC000478861681 599745968 /nfs/dbraw/zinc/74/59/68/599745968.db2.gz WXOVLEDYJWIERM-LIRZEXBASA-N -1 0 329.440 3.597 20 0 EHADRM C[C@@H](OC(=O)c1ccccc1OCC1CC1)c1ccc(C(=O)[O-])o1 ZINC000736695671 599747761 /nfs/dbraw/zinc/74/77/61/599747761.db2.gz DXVLWHBQUKHLOL-LLVKDONJSA-N -1 0 330.336 3.685 20 0 EHADRM O=C([O-])NCCCC(=O)Nc1cccc(-c2ccc3ccccc3c2)n1 ZINC000739961848 599756688 /nfs/dbraw/zinc/75/66/88/599756688.db2.gz VNDZOZUIDAJOQL-UHFFFAOYSA-N -1 0 349.390 3.888 20 0 EHADRM CC(C)N(Cc1ccccc1)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000301193028 599757155 /nfs/dbraw/zinc/75/71/55/599757155.db2.gz MDMCXWZFDDZQFE-UHFFFAOYSA-N -1 0 342.395 3.593 20 0 EHADRM Cc1ccc2c(CC(=O)Oc3ccc(C(=O)[O-])cc3Cl)c[nH]c2c1 ZINC000738666736 599764186 /nfs/dbraw/zinc/76/41/86/599764186.db2.gz WHTITYVKDUVTMH-UHFFFAOYSA-N -1 0 343.766 3.976 20 0 EHADRM Cc1nc(-c2ccsc2)ccc1C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000683324042 599764702 /nfs/dbraw/zinc/76/47/02/599764702.db2.gz FDDPFFYRSFXOQZ-AWEZNQCLSA-N -1 0 344.436 3.588 20 0 EHADRM COc1ccc(Cl)cc1CC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000237084512 599767943 /nfs/dbraw/zinc/76/79/43/599767943.db2.gz VLZXMABIOJHFGG-UHFFFAOYSA-N -1 0 347.798 3.547 20 0 EHADRM CCCCOc1ccccc1NCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000736999772 599770022 /nfs/dbraw/zinc/77/00/22/599770022.db2.gz IHXNEUZFCKEAGF-UHFFFAOYSA-N -1 0 342.395 3.614 20 0 EHADRM CCCC[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC000736986090 599781799 /nfs/dbraw/zinc/78/17/99/599781799.db2.gz STGCHMFDDBRKBS-ZBFHGGJFSA-N -1 0 348.443 3.552 20 0 EHADRM Cc1oc(-c2cccs2)nc1CN[C@H](C(=O)[O-])c1ccccc1 ZINC000320614027 599782808 /nfs/dbraw/zinc/78/28/08/599782808.db2.gz HDQYYWRJDIHAEH-HNNXBMFYSA-N -1 0 328.393 3.627 20 0 EHADRM Cc1nc(-c2ccco2)ccc1C(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC000738838462 599790026 /nfs/dbraw/zinc/79/00/26/599790026.db2.gz XTGSPVSOMMRGNE-KRWDZBQOSA-N -1 0 337.331 3.633 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C[C@H]2C=CCC2)c(OCC(F)(F)F)c1 ZINC000621553259 599799156 /nfs/dbraw/zinc/79/91/56/599799156.db2.gz SQNJCJRAUYGFQV-JTQLQIEISA-N -1 0 343.301 3.621 20 0 EHADRM O=C([O-])c1ccc2c(=O)[nH]c(C=Cc3ccc(Cl)c(F)c3)nc2c1 ZINC000740188579 599801564 /nfs/dbraw/zinc/80/15/64/599801564.db2.gz CLZDEOXLTFGICZ-KXFIGUGUSA-N -1 0 344.729 3.997 20 0 EHADRM COc1ccc(C=Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc1C ZINC000737982204 599801925 /nfs/dbraw/zinc/80/19/25/599801925.db2.gz JGBQWXHKDXLYGR-YWEYNIOJSA-N -1 0 336.347 3.521 20 0 EHADRM CCc1ccc(-c2csc(NC(=O)[C@H](NC(=O)[O-])C(C)C)n2)cc1 ZINC000737252353 599807330 /nfs/dbraw/zinc/80/73/30/599807330.db2.gz MSFKXIMRSDNVOO-CQSZACIVSA-N -1 0 347.440 3.603 20 0 EHADRM Cc1ccc(CN(C)C(=O)Nc2ccc(OCCC(=O)[O-])cc2)s1 ZINC000738594904 599820030 /nfs/dbraw/zinc/82/00/30/599820030.db2.gz YKAKJRMAQCDOQH-UHFFFAOYSA-N -1 0 348.424 3.574 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N2CC[C@@H](c3ccccc3)C2)cc1 ZINC000326954025 599824625 /nfs/dbraw/zinc/82/46/25/599824625.db2.gz KJMOVOQDEWKAMU-QGZVFWFLSA-N -1 0 338.407 3.725 20 0 EHADRM O=C([O-])c1ccccc1C(=O)OCc1coc(-c2ccc(F)cc2)n1 ZINC000740240570 599829193 /nfs/dbraw/zinc/82/91/93/599829193.db2.gz VFBZJWWLIDRITH-UHFFFAOYSA-N -1 0 341.294 3.536 20 0 EHADRM C[C@H](CN(C)C(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccccc1 ZINC000736569600 599829438 /nfs/dbraw/zinc/82/94/38/599829438.db2.gz XOZLQQGASGNCOT-OAHLLOKOSA-N -1 0 340.423 3.971 20 0 EHADRM CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000736907408 599829490 /nfs/dbraw/zinc/82/94/90/599829490.db2.gz RNBKGZJUXWQZMX-QGZVFWFLSA-N -1 0 340.423 3.847 20 0 EHADRM COc1cccc(-c2nc(/C=C(\C(=O)[O-])c3ccncc3)cs2)c1 ZINC000738078261 599831552 /nfs/dbraw/zinc/83/15/52/599831552.db2.gz BONQDQIQYWRUKI-YBEGLDIGSA-N -1 0 338.388 3.839 20 0 EHADRM C[C@H](CCc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000392113044 599836175 /nfs/dbraw/zinc/83/61/75/599836175.db2.gz RKBSIQLRYOHQLJ-GFCCVEGCSA-N -1 0 330.359 3.667 20 0 EHADRM C[C@@H](c1ccccc1F)N(C)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000325107016 599836745 /nfs/dbraw/zinc/83/67/45/599836745.db2.gz XJZCYYPGVYQAHK-JTQLQIEISA-N -1 0 334.322 3.888 20 0 EHADRM CN(C(=O)c1ccc(Oc2cccnc2)cc1)c1ccccc1C(=O)[O-] ZINC000737338951 599837036 /nfs/dbraw/zinc/83/70/36/599837036.db2.gz MQGOADXQJKYMTI-UHFFFAOYSA-N -1 0 348.358 3.849 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000736708938 599837427 /nfs/dbraw/zinc/83/74/27/599837427.db2.gz LVCNDLCMRJPVPE-CYBMUJFWSA-N -1 0 329.421 3.670 20 0 EHADRM Cc1ccc(C)c(N(C(=O)c2cccc(OCC(=O)[O-])c2)C(C)C)c1 ZINC000738575038 599840729 /nfs/dbraw/zinc/84/07/29/599840729.db2.gz WONDCDCZYMEWBB-UHFFFAOYSA-N -1 0 341.407 3.822 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)[C@@H]2CCOc3ccccc32)c1 ZINC000320656441 599842597 /nfs/dbraw/zinc/84/25/97/599842597.db2.gz PVTBHMFEYWFWEX-GFCCVEGCSA-N -1 0 331.755 3.543 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000324896330 599844922 /nfs/dbraw/zinc/84/49/22/599844922.db2.gz UERHMQSFXZYEIU-UHFFFAOYSA-N -1 0 341.260 3.724 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)c1csc(-c2ccccc2)n1 ZINC000739485006 599846880 /nfs/dbraw/zinc/84/68/80/599846880.db2.gz HJSZLFYBPJRQQY-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM Cc1ccc(SCCC(=O)Nc2cccc(F)c2C(=O)[O-])cc1 ZINC000319541818 599847196 /nfs/dbraw/zinc/84/71/96/599847196.db2.gz MKXXHEAMDOHDMY-UHFFFAOYSA-N -1 0 333.384 3.953 20 0 EHADRM CC(C)COc1ccc(C(=O)Nc2cccc(F)c2C(=O)[O-])cc1 ZINC000325005932 599847422 /nfs/dbraw/zinc/84/74/22/599847422.db2.gz APXGUFQPAWEDLZ-UHFFFAOYSA-N -1 0 331.343 3.811 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)CCc2cccs2)cc1 ZINC000237357440 599847576 /nfs/dbraw/zinc/84/75/76/599847576.db2.gz BADNYGBXHUKWDJ-HNNXBMFYSA-N -1 0 349.477 3.735 20 0 EHADRM CC(C)(C)c1cc(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])n[nH]1 ZINC000736293227 599849062 /nfs/dbraw/zinc/84/90/62/599849062.db2.gz ITTGMGDFVGBGBX-UHFFFAOYSA-N -1 0 337.379 3.811 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)/C=C\c2ccccc2)cc1 ZINC000738200056 599849803 /nfs/dbraw/zinc/84/98/03/599849803.db2.gz GEPQZCDMIRHPJA-PJCWUCBCSA-N -1 0 341.432 3.754 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(Cc1csc(-c3ccoc3)n1)C2 ZINC000740202805 599857546 /nfs/dbraw/zinc/85/75/46/599857546.db2.gz MJDIDRSTNVYFPE-UHFFFAOYSA-N -1 0 326.377 3.617 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)OCC(=O)c1ccc(Cl)s1 ZINC000740057692 599867625 /nfs/dbraw/zinc/86/76/25/599867625.db2.gz ZPBIXLNGRPYSFH-UHFFFAOYSA-N -1 0 339.756 3.531 20 0 EHADRM CC(C)CCO[C@H](C)C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000676019485 599870278 /nfs/dbraw/zinc/87/02/78/599870278.db2.gz OYAIMCQIMYOORZ-GFCCVEGCSA-N -1 0 349.452 3.667 20 0 EHADRM C[C@H](OC(=O)Cc1ccccc1C(F)(F)F)c1ccc(C(=O)[O-])o1 ZINC000736694498 599870772 /nfs/dbraw/zinc/87/07/72/599870772.db2.gz WBLPMVIUSFZABY-VIFPVBQESA-N -1 0 342.269 3.844 20 0 EHADRM Cc1nc(NC(=O)NCc2c3ccccc3sc2C(=O)[O-])oc1C ZINC000738866618 599880950 /nfs/dbraw/zinc/88/09/50/599880950.db2.gz UGKPPTAKOUREGK-UHFFFAOYSA-N -1 0 345.380 3.526 20 0 EHADRM Cc1nc(-c2cccs2)ccc1C(=O)OCc1cc(C(=O)[O-])co1 ZINC000738838037 599881162 /nfs/dbraw/zinc/88/11/62/599881162.db2.gz LSYVFGCBXJLDCM-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM O=C([O-])c1coc(COC(=O)CCCOc2ccccc2Cl)c1 ZINC000739237560 599884513 /nfs/dbraw/zinc/88/45/13/599884513.db2.gz YBXYPXSOLIDUEI-UHFFFAOYSA-N -1 0 338.743 3.534 20 0 EHADRM CCC[C@](C)(NC(=O)/C=C\c1ccccc1O[C@@H](C)CC)C(=O)[O-] ZINC000736954221 599885123 /nfs/dbraw/zinc/88/51/23/599885123.db2.gz HNODRKGQEATKPI-IOMGTLSNSA-N -1 0 333.428 3.637 20 0 EHADRM COc1cccc(C2(C(=O)Oc3ccc(C(=O)[O-])cc3)CCCC2)c1 ZINC000738097143 599888226 /nfs/dbraw/zinc/88/82/26/599888226.db2.gz UCWLZLVCOGROLZ-UHFFFAOYSA-N -1 0 340.375 3.811 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)N2CCC3(CCCCC3)CC2)c1 ZINC000392888906 599891527 /nfs/dbraw/zinc/89/15/27/599891527.db2.gz MKFJMQRXCJLZKG-UHFFFAOYSA-N -1 0 346.427 3.728 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=S)Nc2ccccc2)c1 ZINC000739874740 599892710 /nfs/dbraw/zinc/89/27/10/599892710.db2.gz YLOFRLCOCQDTGK-UHFFFAOYSA-N -1 0 332.450 3.813 20 0 EHADRM CC(C)CCc1ccccc1NC(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000736435258 599892847 /nfs/dbraw/zinc/89/28/47/599892847.db2.gz GDOZBTNRWOEDMI-OAHLLOKOSA-N -1 0 333.432 3.539 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000236728408 599894473 /nfs/dbraw/zinc/89/44/73/599894473.db2.gz ACGQIUDEEDRPMH-RTBURBONSA-N -1 0 339.435 3.903 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)NCCCSc2ccccc2)c1 ZINC000740030091 599895299 /nfs/dbraw/zinc/89/52/99/599895299.db2.gz FBXQMBMHASCYTQ-UHFFFAOYSA-N -1 0 330.409 3.689 20 0 EHADRM CC(C)COc1ncccc1C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000736449201 599895773 /nfs/dbraw/zinc/89/57/73/599895773.db2.gz GRGYGSUIHSLBQF-UHFFFAOYSA-N -1 0 348.786 3.720 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N[C@@H](c2ccco2)c2ccccc2)c1 ZINC000740028943 599898054 /nfs/dbraw/zinc/89/80/54/599898054.db2.gz LLIWLHYSRYBVNQ-QGZVFWFLSA-N -1 0 336.347 3.889 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)OCc1cc(C(=O)[O-])c(C)o1 ZINC000738118973 599899224 /nfs/dbraw/zinc/89/92/24/599899224.db2.gz FPFVXWVOBXRBBH-LLVKDONJSA-N -1 0 332.352 3.532 20 0 EHADRM C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736714798 599901968 /nfs/dbraw/zinc/90/19/68/599901968.db2.gz IHKJALQBJYFXJC-SNVBAGLBSA-N -1 0 334.322 3.888 20 0 EHADRM CC(C)C[C@H](C)n1nccc1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000736403774 599904520 /nfs/dbraw/zinc/90/45/20/599904520.db2.gz JWOAQWCXARBNDB-LBPRGKRZSA-N -1 0 330.388 3.832 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000736626122 599904662 /nfs/dbraw/zinc/90/46/62/599904662.db2.gz JUTPSYJMEUTJFP-NSHDSACASA-N -1 0 332.787 3.791 20 0 EHADRM CCc1ccc([C@H]2NC(=O)N(CC3CC3)C(CC)=C2C(=O)[O-])s1 ZINC000736931062 599905392 /nfs/dbraw/zinc/90/53/92/599905392.db2.gz CEKZVOJAEMWRJG-OAHLLOKOSA-N -1 0 334.441 3.536 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cn(C)nc1C1CCCCC1 ZINC000262060903 599912021 /nfs/dbraw/zinc/91/20/21/599912021.db2.gz BQOCERONLTUWOV-UHFFFAOYSA-N -1 0 341.411 3.727 20 0 EHADRM CN(CCCC(=O)O[C@H](c1ccccc1)c1cccc(F)c1)C(=O)[O-] ZINC000737432653 599912638 /nfs/dbraw/zinc/91/26/38/599912638.db2.gz BKQUEQFXDKCWBU-GOSISDBHSA-N -1 0 345.370 3.848 20 0 EHADRM Cn1cc(C(=O)Nc2cc(C(=O)[O-])ccc2F)c(C2CCCCC2)n1 ZINC000262215443 599913140 /nfs/dbraw/zinc/91/31/40/599913140.db2.gz SMLAZCJNHSLNGI-UHFFFAOYSA-N -1 0 345.374 3.557 20 0 EHADRM Cc1cc(NC(=O)CCCOc2ccc(F)cc2)ccc1C(=O)[O-] ZINC000237698829 599916362 /nfs/dbraw/zinc/91/63/62/599916362.db2.gz RZBLLQNQPNBMJO-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)c2ccc3cc[nH]c3c2)c1 ZINC000238086198 599920956 /nfs/dbraw/zinc/92/09/56/599920956.db2.gz BHVBIHLHJIATKA-UHFFFAOYSA-N -1 0 340.404 3.738 20 0 EHADRM Cc1ccccc1NC(=S)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000738777035 599927267 /nfs/dbraw/zinc/92/72/67/599927267.db2.gz DJAPEHADCKNDGI-INIZCTEOSA-N -1 0 328.437 3.888 20 0 EHADRM COc1ccccc1[C@H]1CCCCN1C(=O)c1cccc(C(=O)[O-])c1 ZINC000649455273 599929610 /nfs/dbraw/zinc/92/96/10/599929610.db2.gz RQXPBXCYZJJIKM-QGZVFWFLSA-N -1 0 339.391 3.761 20 0 EHADRM O=C([O-])N1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000739927316 599932266 /nfs/dbraw/zinc/93/22/66/599932266.db2.gz UJKDOPLDENGREO-QGZVFWFLSA-N -1 0 330.815 3.725 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)cc1F)C(=O)[O-] ZINC000236992643 599939772 /nfs/dbraw/zinc/93/97/72/599939772.db2.gz FAQPQYBQZVPSKK-GTNSWQLSSA-N -1 0 347.361 3.861 20 0 EHADRM O=C([O-])c1sc2ccccc2c1COC(=O)[C@H]1CC1(Cl)Cl ZINC000740281728 599945175 /nfs/dbraw/zinc/94/51/75/599945175.db2.gz WENWRQBQOMFOKU-SECBINFHSA-N -1 0 345.203 3.837 20 0 EHADRM CC(C)Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000736452683 599977038 /nfs/dbraw/zinc/97/70/38/599977038.db2.gz DGCOHEGJBYVNRL-KRWDZBQOSA-N -1 0 347.361 3.719 20 0 EHADRM C[C@H](CC(=O)OCc1cn2cccc(C(=O)[O-])c2n1)C1CCCCC1 ZINC000736555879 599989702 /nfs/dbraw/zinc/98/97/02/599989702.db2.gz IQQWDKZCUOKSBC-CYBMUJFWSA-N -1 0 344.411 3.682 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000740065920 599998098 /nfs/dbraw/zinc/99/80/98/599998098.db2.gz LONDWIXDTMUNJL-NXEZZACHSA-N -1 0 335.281 3.544 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)N[C@H](CC(=O)[O-])c2cccs2)c1 ZINC000737735612 600000330 /nfs/dbraw/zinc/00/03/30/600000330.db2.gz SKPSGBCTCNMMRN-BXUZGUMPSA-N -1 0 348.424 3.793 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)C[C@H]2CCCc3ccccc32)c1 ZINC000737934848 600001617 /nfs/dbraw/zinc/00/16/17/600001617.db2.gz HKBCYNAFZODKKX-CQSZACIVSA-N -1 0 339.391 3.842 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000738118885 600001900 /nfs/dbraw/zinc/00/19/00/600001900.db2.gz DNHLUFVOKVAUAQ-NWDGAFQWSA-N -1 0 332.352 3.784 20 0 EHADRM O=C([O-])N1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000739470074 600011445 /nfs/dbraw/zinc/01/14/45/600011445.db2.gz AINHHBYFLVYSQD-UHFFFAOYSA-N -1 0 329.331 3.506 20 0 EHADRM C[C@H](NC(=O)NC1CCC(C(=O)[O-])CC1)c1ccc2c(c1)CCCC2 ZINC000262940913 600012526 /nfs/dbraw/zinc/01/25/26/600012526.db2.gz HJHVVUIHZOQGQR-UQHVZDHRSA-N -1 0 344.455 3.569 20 0 EHADRM Cc1cc(NC(=O)N[C@@H](C)c2c(F)cccc2F)ccc1C(=O)[O-] ZINC000738442143 600014933 /nfs/dbraw/zinc/01/49/33/600014933.db2.gz MZKHSSOENWESNU-JTQLQIEISA-N -1 0 334.322 3.854 20 0 EHADRM COc1ccccc1[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000738118519 600015768 /nfs/dbraw/zinc/01/57/68/600015768.db2.gz CMRKRYIVGRJSMT-GFCCVEGCSA-N -1 0 328.368 3.585 20 0 EHADRM Cc1cc(NC(=O)NCCSc2ccccc2)ccc1C(=O)[O-] ZINC000738440124 600017945 /nfs/dbraw/zinc/01/79/45/600017945.db2.gz IIPOWANDPBOCGB-UHFFFAOYSA-N -1 0 330.409 3.607 20 0 EHADRM Cc1cc(NC(=O)N[C@@H](C)c2cc(F)ccc2F)ccc1C(=O)[O-] ZINC000738443754 600018432 /nfs/dbraw/zinc/01/84/32/600018432.db2.gz XWERIVVPSQACJK-JTQLQIEISA-N -1 0 334.322 3.854 20 0 EHADRM COc1ccc(C(=O)[O-])c(NCc2c(F)c(F)c(F)c(F)c2F)c1 ZINC000737942864 600018962 /nfs/dbraw/zinc/01/89/62/600018962.db2.gz QBPXOBWSLWTCSB-UHFFFAOYSA-N -1 0 347.239 3.701 20 0 EHADRM CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000736252913 600019687 /nfs/dbraw/zinc/01/96/87/600019687.db2.gz SIHRJSABMBESEX-GRAKBVBRSA-N -1 0 338.492 3.782 20 0 EHADRM C[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000736784429 600020859 /nfs/dbraw/zinc/02/08/59/600020859.db2.gz IXYRQOTWOGYFBW-WFASDCNBSA-N -1 0 336.457 3.705 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C ZINC000236941320 600023479 /nfs/dbraw/zinc/02/34/79/600023479.db2.gz WQGSHARMZFMZHC-HNNXBMFYSA-N -1 0 342.439 3.651 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)c2cc(Cl)sc2Cl)c1 ZINC000739887870 600027361 /nfs/dbraw/zinc/02/73/61/600027361.db2.gz DIMAZFVDZLMWOJ-UHFFFAOYSA-N -1 0 331.176 3.901 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Nc2cccc(Br)c2)cc1 ZINC000238072110 600032148 /nfs/dbraw/zinc/03/21/48/600032148.db2.gz PGSGWDLBPCXLIX-UHFFFAOYSA-N -1 0 348.196 3.719 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccc1F)CC2 ZINC000738671216 600032603 /nfs/dbraw/zinc/03/26/03/600032603.db2.gz UZORMGGJOVMLMR-HNNXBMFYSA-N -1 0 328.343 3.641 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)N[C@H]2CCc3ccc(F)cc32)c1 ZINC000740043032 600032616 /nfs/dbraw/zinc/03/26/16/600032616.db2.gz OEKAXTZTIFCNNS-HNNXBMFYSA-N -1 0 329.331 3.725 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OCc1nnc(-c2cccc(Cl)c2)o1 ZINC000738539932 600033647 /nfs/dbraw/zinc/03/36/47/600033647.db2.gz ITEOLCCFNSLYKX-UHFFFAOYSA-N -1 0 344.754 3.976 20 0 EHADRM COc1ccccc1C/C(C)=C\C(=O)Nc1ccccc1C(=O)[O-] ZINC000738125244 600035260 /nfs/dbraw/zinc/03/52/60/600035260.db2.gz ZOZMADUVBIIUTN-SEYXRHQNSA-N -1 0 325.364 3.521 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)OCc2ccc3ccccc3n2)cc1 ZINC000739260476 600036474 /nfs/dbraw/zinc/03/64/74/600036474.db2.gz IDQZVEZLSCWBSF-UHFFFAOYSA-N -1 0 335.359 3.609 20 0 EHADRM CC[C@@H]1c2ccsc2CCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237068141 600038368 /nfs/dbraw/zinc/03/83/68/600038368.db2.gz KUHMFUXRWDPPKI-MRXNPFEDSA-N -1 0 343.448 3.915 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N[C@@H]2CCSc3ccccc32)cc1 ZINC000238070397 600039297 /nfs/dbraw/zinc/03/92/97/600039297.db2.gz BUYRAEIVAFSLPZ-MRXNPFEDSA-N -1 0 341.432 3.671 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)CC2=CCCCC2)cc1 ZINC000237344420 600040093 /nfs/dbraw/zinc/04/00/93/600040093.db2.gz PHFZOVDDCIPTHP-MRXNPFEDSA-N -1 0 333.453 3.931 20 0 EHADRM Cc1ccc2c(CC(=O)N3Cc4ccc(C(=O)[O-])cc4C3)coc2c1 ZINC000326937467 600041943 /nfs/dbraw/zinc/04/19/43/600041943.db2.gz LTXSFSFVXGIANG-UHFFFAOYSA-N -1 0 335.359 3.524 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1cc3cc(Cl)ccc3o1)C2 ZINC000740200880 600047724 /nfs/dbraw/zinc/04/77/24/600047724.db2.gz LTGWDKRWQDZETN-UHFFFAOYSA-N -1 0 341.750 3.940 20 0 EHADRM CC(C)Oc1ccc(Cl)cc1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000262663846 600049880 /nfs/dbraw/zinc/04/98/80/600049880.db2.gz NUQHXRPLIVCLOQ-UHFFFAOYSA-N -1 0 339.819 3.500 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C/C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000736890478 600050990 /nfs/dbraw/zinc/05/09/90/600050990.db2.gz CCTKRDKUTTYVBF-QIBCVRPJSA-N -1 0 345.439 3.637 20 0 EHADRM COc1ccc(NC(=S)Nc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000738038131 600057206 /nfs/dbraw/zinc/05/72/06/600057206.db2.gz BLWPAKXNEPYOCD-UHFFFAOYSA-N -1 0 335.360 3.733 20 0 EHADRM CCOc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])cc2)cc1 ZINC000485662621 600059733 /nfs/dbraw/zinc/05/97/33/600059733.db2.gz FGVZAAQLVOOMFA-IAGOWNOFSA-N -1 0 341.363 3.537 20 0 EHADRM CC/C(=C/C(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000736836087 600062440 /nfs/dbraw/zinc/06/24/40/600062440.db2.gz OKSGELRKALLBKB-KAMYIIQDSA-N -1 0 325.364 3.582 20 0 EHADRM C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000736727247 600068836 /nfs/dbraw/zinc/06/88/36/600068836.db2.gz YMOKMWZXLGDRER-SNPRPXQTSA-N -1 0 329.421 3.559 20 0 EHADRM CC(C)[C@H](SCc1ccccc1)C(=O)OCc1ccc(C(=O)[O-])o1 ZINC000736390757 600070841 /nfs/dbraw/zinc/07/08/41/600070841.db2.gz LRYACWBFUHDVQL-INIZCTEOSA-N -1 0 348.420 3.979 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000738121468 600076992 /nfs/dbraw/zinc/07/69/92/600076992.db2.gz QGICXXCXYNNOEI-SEYXRHQNSA-N -1 0 340.379 3.851 20 0 EHADRM CC(C)(C)c1ccc(CCCC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000136110323 600081749 /nfs/dbraw/zinc/08/17/49/600081749.db2.gz NWDFVIYIHPNSAM-MRXNPFEDSA-N -1 0 331.456 3.630 20 0 EHADRM Cc1ccc(-c2nnc([C@H](C)N3Cc4ccc(C(=O)[O-])cc4C3)o2)cc1 ZINC000738491374 600085221 /nfs/dbraw/zinc/08/52/21/600085221.db2.gz UUBZAKANHMLCST-ZDUSSCGKSA-N -1 0 349.390 3.820 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(Cc1ccccc1Br)C2 ZINC000156917455 600087003 /nfs/dbraw/zinc/08/70/03/600087003.db2.gz QGBRYNFYPWBEAT-UHFFFAOYSA-N -1 0 332.197 3.663 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2ccc(Cl)cc2F)ccc1F ZINC000740012606 600089502 /nfs/dbraw/zinc/08/95/02/600089502.db2.gz OGMZUWXVVYBKMJ-UHFFFAOYSA-N -1 0 326.686 3.960 20 0 EHADRM O=C([O-])c1cccc(-c2nc(-c3c(Cl)cccc3Cl)no2)n1 ZINC000740212335 600107784 /nfs/dbraw/zinc/10/77/84/600107784.db2.gz GRJZIUDOKSAWSJ-UHFFFAOYSA-N -1 0 336.134 3.804 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)Nc1cc(Cl)ccc1F)C2 ZINC000321943886 600111932 /nfs/dbraw/zinc/11/19/32/600111932.db2.gz DEWRXFCIWXCPIR-UHFFFAOYSA-N -1 0 334.734 3.725 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)C=Cc1ccccc1Cl ZINC000736185997 600125603 /nfs/dbraw/zinc/12/56/03/600125603.db2.gz HVAPTLMCSOJKBQ-CLFYSBASSA-N -1 0 344.750 3.860 20 0 EHADRM O=C([O-])CSCCC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000739849514 600125636 /nfs/dbraw/zinc/12/56/36/600125636.db2.gz LWYNQUGZUCYTCZ-UHFFFAOYSA-N -1 0 342.631 3.793 20 0 EHADRM Cc1oc(CN(C)C(=O)N[C@@H]2CCC[C@@H](C(C)C)C2)cc1C(=O)[O-] ZINC000738967070 600126144 /nfs/dbraw/zinc/12/61/44/600126144.db2.gz JFHHZNPPQSEZST-ZIAGYGMSSA-N -1 0 336.432 3.642 20 0 EHADRM O=C([O-])c1ccc(COc2ccccc2OCC(F)(F)F)cc1 ZINC000740134956 600126762 /nfs/dbraw/zinc/12/67/62/600126762.db2.gz IQWZOWMWTLFZPM-UHFFFAOYSA-N -1 0 326.270 3.905 20 0 EHADRM CC[C@](NC(=O)c1ccc(CSC)cc1)(C(=O)[O-])c1ccccc1 ZINC000346021363 600132082 /nfs/dbraw/zinc/13/20/82/600132082.db2.gz VHAYQGPJSTWUJG-LJQANCHMSA-N -1 0 343.448 3.670 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1C[C@H]1c1ccc(N(C)C)cc1 ZINC000738525688 600140968 /nfs/dbraw/zinc/14/09/68/600140968.db2.gz NDQXOYLAAKLHLX-IRXDYDNUSA-N -1 0 338.407 3.501 20 0 EHADRM CCC[C@](C)(NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000236821395 600143220 /nfs/dbraw/zinc/14/32/20/600143220.db2.gz MOZLSFUNVOSSIX-HSMVNMDESA-N -1 0 344.238 3.857 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000675965880 600143529 /nfs/dbraw/zinc/14/35/29/600143529.db2.gz DOROEQSZKAPBAA-ZDUSSCGKSA-N -1 0 341.407 3.909 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)Cn1ncc2ccccc21 ZINC000238014928 600144583 /nfs/dbraw/zinc/14/45/83/600144583.db2.gz PNYKYPWITYKSRE-UHFFFAOYSA-N -1 0 345.358 3.526 20 0 EHADRM C[C@@H](OC(=O)c1ccc(-n2cccc2)c(F)c1)c1ccc(C(=O)[O-])o1 ZINC000736687897 600144737 /nfs/dbraw/zinc/14/47/37/600144737.db2.gz FQJJVHJKGMIGMT-LLVKDONJSA-N -1 0 343.310 3.826 20 0 EHADRM O=C([O-])c1coc(C(=O)CSc2cccc(C(F)(F)F)c2)c1 ZINC000740259427 600146948 /nfs/dbraw/zinc/14/69/48/600146948.db2.gz VWCZHBBYQFECLB-UHFFFAOYSA-N -1 0 330.283 3.972 20 0 EHADRM CSc1ccsc1C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000738207557 600146978 /nfs/dbraw/zinc/14/69/78/600146978.db2.gz GGSROGCGYIPDRW-LBPRGKRZSA-N -1 0 349.477 3.833 20 0 EHADRM C[C@@H](NC(=O)c1ccccc1S[C@H](C)C(=O)[O-])c1ccccc1 ZINC000192927219 600147683 /nfs/dbraw/zinc/14/76/83/600147683.db2.gz YRLMAWKYLMDDGH-CHWSQXEVSA-N -1 0 329.421 3.743 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)NC[C@@H](C)C(=O)[O-])c(F)c2)cc1C ZINC000237500890 600152348 /nfs/dbraw/zinc/15/23/48/600152348.db2.gz JNUZMVPAWVIXDK-CYBMUJFWSA-N -1 0 329.371 3.560 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cccc(C(F)F)c1)c1cccs1 ZINC000739628635 600152934 /nfs/dbraw/zinc/15/29/34/600152934.db2.gz VEGFKWDTVYZJNO-NSHDSACASA-N -1 0 325.336 3.632 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cccc(C(F)F)c1)c1cccs1 ZINC000739628634 600152986 /nfs/dbraw/zinc/15/29/86/600152986.db2.gz VEGFKWDTVYZJNO-LLVKDONJSA-N -1 0 325.336 3.632 20 0 EHADRM CCCC[C@H](Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)C(=O)[O-] ZINC000736983309 600154998 /nfs/dbraw/zinc/15/49/98/600154998.db2.gz ZAECDEVIKVBXSL-KBPBESRZSA-N -1 0 341.835 3.953 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)CCc2ccc(C)cc2C)C(=O)[O-])cc1 ZINC000486368254 600162757 /nfs/dbraw/zinc/16/27/57/600162757.db2.gz HTCQWRNAPLVDKL-LJQANCHMSA-N -1 0 339.435 3.529 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N[C@@H](c2ccccc2)C2CCC2)cc1 ZINC000263219701 600163089 /nfs/dbraw/zinc/16/30/89/600163089.db2.gz KGZJPTIYFUEZET-SFHVURJKSA-N -1 0 338.407 3.725 20 0 EHADRM Cc1ccc([C@H](CNC(=O)Nc2cccc(Cl)c2)C(=O)[O-])cc1 ZINC000738563321 600172456 /nfs/dbraw/zinc/17/24/56/600172456.db2.gz ZPDLVNMDYPREJH-HNNXBMFYSA-N -1 0 332.787 3.638 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000736762844 600181934 /nfs/dbraw/zinc/18/19/34/600181934.db2.gz SJQMCTWDNLYIIM-JSGCOSHPSA-N -1 0 342.370 3.934 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)Nc1ccc(CC(=O)[O-])cc1)C(C)C ZINC000738786450 600182599 /nfs/dbraw/zinc/18/25/99/600182599.db2.gz RHJXNDNSUBEJLG-KRWDZBQOSA-N -1 0 341.411 3.536 20 0 EHADRM C[C@H](OC(=O)c1ccccc1S[C@@H](C)C(=O)[O-])c1cccnc1 ZINC000736717959 600189871 /nfs/dbraw/zinc/18/98/71/600189871.db2.gz RVMMFLZWGWTJNG-RYUDHWBXSA-N -1 0 331.393 3.565 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000485868652 600193227 /nfs/dbraw/zinc/19/32/27/600193227.db2.gz CPHQSEJEPDSPGG-AWEZNQCLSA-N -1 0 343.448 3.772 20 0 EHADRM CN(C(=O)c1cc2ccc(Cl)cc2[nH]1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737336984 600195720 /nfs/dbraw/zinc/19/57/20/600195720.db2.gz ROLTXDPEHHRBKE-MRXNPFEDSA-N -1 0 342.782 3.719 20 0 EHADRM O=C([O-])CN(C(=O)c1cc2cc(F)ccc2s1)c1ccccc1 ZINC000320205743 600197419 /nfs/dbraw/zinc/19/74/19/600197419.db2.gz RDDQUOWCUZYOHA-UHFFFAOYSA-N -1 0 329.352 3.772 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2(c3cccc(Cl)c3)CC2)c(F)c1 ZINC000479523588 600201533 /nfs/dbraw/zinc/20/15/33/600201533.db2.gz CZRAWRFLHBJLGU-UHFFFAOYSA-N -1 0 333.746 3.848 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)C[C@@H]1CCc2ccccc21 ZINC000736186023 600203147 /nfs/dbraw/zinc/20/31/47/600203147.db2.gz IEHQLQRHZXFJPL-AWEZNQCLSA-N -1 0 338.359 3.613 20 0 EHADRM CC[C@@H](CC(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1)C(C)C ZINC000236913092 600204585 /nfs/dbraw/zinc/20/45/85/600204585.db2.gz CJTVQMVETJLUAR-AWEZNQCLSA-N -1 0 341.398 3.840 20 0 EHADRM C[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccccc1)c1cccc(F)c1 ZINC000237372104 600206210 /nfs/dbraw/zinc/20/62/10/600206210.db2.gz WKDXTFQEZBHPQX-DYVFJYSZSA-N -1 0 329.371 3.652 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000675946300 600206226 /nfs/dbraw/zinc/20/62/26/600206226.db2.gz CCFRZLFMPRMPQI-QGZVFWFLSA-N -1 0 339.435 3.992 20 0 EHADRM CSCC[C@H](C)Nc1nc(C)nc2sc(C(=O)[O-])c(C)c21 ZINC000738141259 600207091 /nfs/dbraw/zinc/20/70/91/600207091.db2.gz XCZMWOWGZSAUSD-ZETCQYMHSA-N -1 0 325.459 3.560 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)CCc2ccc(C(=O)[O-])cc2)o1 ZINC000262224601 600210044 /nfs/dbraw/zinc/21/00/44/600210044.db2.gz XNMBPDQTYCYYFJ-INIZCTEOSA-N -1 0 327.380 3.583 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)c1cccc(F)c1 ZINC000237381506 600211455 /nfs/dbraw/zinc/21/14/55/600211455.db2.gz GNWGUIQKIQWZLK-JTQLQIEISA-N -1 0 341.342 3.533 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2cc3c(cccc3F)s2)c2ccccc21 ZINC000391661884 600215718 /nfs/dbraw/zinc/21/57/18/600215718.db2.gz FPCNAYMNLKLZAN-GFCCVEGCSA-N -1 0 341.363 3.869 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C[C@@H]2CCCc3ccccc32)c2ccccc21 ZINC000192929979 600220589 /nfs/dbraw/zinc/22/05/89/600220589.db2.gz MGXONKXQWMTGFE-MAUKXSAKSA-N -1 0 335.403 3.712 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)CCSc2ccccc2F)c2ccccc21 ZINC000177472510 600221875 /nfs/dbraw/zinc/22/18/75/600221875.db2.gz NJBTZVDREAULQQ-ZDUSSCGKSA-N -1 0 345.395 3.523 20 0 EHADRM Cc1ccc(CCC(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cc1Cl ZINC000325294598 600227495 /nfs/dbraw/zinc/22/74/95/600227495.db2.gz TUQPXSQHDKLKIW-OAHLLOKOSA-N -1 0 343.810 3.796 20 0 EHADRM COCc1cccc(NC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000320537033 600228128 /nfs/dbraw/zinc/22/81/28/600228128.db2.gz OKVYNBHMMXWEMS-UHFFFAOYSA-N -1 0 334.759 3.829 20 0 EHADRM CC(=O)Nc1cccc(NC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000325135106 600228464 /nfs/dbraw/zinc/22/84/64/600228464.db2.gz QNWDUNOIHQKYRC-UHFFFAOYSA-N -1 0 347.758 3.641 20 0 EHADRM O=C([O-])c1cccc(COC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)c1 ZINC000740221310 600239120 /nfs/dbraw/zinc/23/91/20/600239120.db2.gz OPCGLNLQMXBEGM-OLZOCXBDSA-N -1 0 332.302 3.510 20 0 EHADRM Cc1cc(NC(=O)NC2(c3nccs3)CCCC2)ccc1C(=O)[O-] ZINC000738439469 600242389 /nfs/dbraw/zinc/24/23/89/600242389.db2.gz CBMGGPRVDKBGPG-UHFFFAOYSA-N -1 0 345.424 3.741 20 0 EHADRM COc1nc(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)cc2ccccc21 ZINC000738147841 600246260 /nfs/dbraw/zinc/24/62/60/600246260.db2.gz JYQKVZNZIMLRMV-UHFFFAOYSA-N -1 0 347.330 3.659 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)CCCc1ccc(Cl)cc1 ZINC000738085606 600247764 /nfs/dbraw/zinc/24/77/64/600247764.db2.gz QILUCKYVBJYAIH-UHFFFAOYSA-N -1 0 348.782 3.975 20 0 EHADRM C[C@H](Cc1nc(-c2ccc(C(=O)[O-])cc2)no1)c1cccc(F)c1 ZINC000736628396 600248012 /nfs/dbraw/zinc/24/80/12/600248012.db2.gz CRTNPFUNACWHHC-LLVKDONJSA-N -1 0 326.327 3.920 20 0 EHADRM O=C([O-])CCSCCNC(=O)CC1CCC(c2ccccc2)CC1 ZINC000739743785 600252431 /nfs/dbraw/zinc/25/24/31/600252431.db2.gz WBIJRBFBIRVOMI-UHFFFAOYSA-N -1 0 349.496 3.675 20 0 EHADRM CC(C)(CCCc1ccccc1)CNC(=O)c1ccc(C(=O)[O-])nc1 ZINC000603677264 600262393 /nfs/dbraw/zinc/26/23/93/600262393.db2.gz KGQYGNXWDXFQBK-UHFFFAOYSA-N -1 0 340.423 3.559 20 0 EHADRM Cc1c(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)oc2c1c(C)ccc2C ZINC000262487263 600263236 /nfs/dbraw/zinc/26/32/36/600263236.db2.gz VQYKSGDAQRTPQI-AWEZNQCLSA-N -1 0 341.407 3.685 20 0 EHADRM Cc1c(Cl)cccc1OCC(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000738290865 600271068 /nfs/dbraw/zinc/27/10/68/600271068.db2.gz LPGOVAKOWHDWBQ-JTQLQIEISA-N -1 0 338.743 3.623 20 0 EHADRM O=C([O-])c1coc(COC(=O)c2cccc(Oc3nccs3)c2)c1 ZINC000740269174 600272570 /nfs/dbraw/zinc/27/25/70/600272570.db2.gz DTTBXIYKXDZJKI-UHFFFAOYSA-N -1 0 345.332 3.584 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H](Cc2ccccc2)C2CC2)c(F)c1 ZINC000739466710 600279392 /nfs/dbraw/zinc/27/93/92/600279392.db2.gz GNPMILCLVVJDTO-QGZVFWFLSA-N -1 0 342.370 3.667 20 0 EHADRM Cc1cccc(C)c1NC(=S)Nc1ccc(CNC(=O)[O-])cc1 ZINC000738690665 600279723 /nfs/dbraw/zinc/27/97/23/600279723.db2.gz WTUXDOGWRKFNTR-UHFFFAOYSA-N -1 0 329.425 3.880 20 0 EHADRM CC(C)(C)n1cc(NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cn1 ZINC000736305720 600283409 /nfs/dbraw/zinc/28/34/09/600283409.db2.gz MMOBMJYHPXTUNG-UHFFFAOYSA-N -1 0 336.779 3.634 20 0 EHADRM CN(Cc1ccc(NC(=O)c2ccc3ccccc3n2)cc1)C(=O)[O-] ZINC000737485626 600284817 /nfs/dbraw/zinc/28/48/17/600284817.db2.gz XRLHQQSHLIPKEY-UHFFFAOYSA-N -1 0 335.363 3.597 20 0 EHADRM C[C@@H](NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1cccc(O)c1 ZINC000736645420 600285494 /nfs/dbraw/zinc/28/54/94/600285494.db2.gz FBIABMHKECQCED-SECBINFHSA-N -1 0 334.759 3.627 20 0 EHADRM CN(Cc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1)C(=O)[O-] ZINC000737485483 600285882 /nfs/dbraw/zinc/28/58/82/600285882.db2.gz PWCYIURQDAUCNH-UHFFFAOYSA-N -1 0 330.409 3.599 20 0 EHADRM Cc1csc([C@@H](C)NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)n1 ZINC000317647242 600290279 /nfs/dbraw/zinc/29/02/79/600290279.db2.gz YVCPTZNYWPEPOT-MRVPVSSYSA-N -1 0 339.804 3.686 20 0 EHADRM C[C@H](c1cccc(O)c1)N(C)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000736716355 600290865 /nfs/dbraw/zinc/29/08/65/600290865.db2.gz FZWBPAXZVLOXND-SNVBAGLBSA-N -1 0 348.786 3.969 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000739983416 600291971 /nfs/dbraw/zinc/29/19/71/600291971.db2.gz AWRPXULSPMTZGV-NWDGAFQWSA-N -1 0 344.333 3.761 20 0 EHADRM CC(C)c1cccc(OCC(=O)Nc2ccc(CNC(=O)[O-])cc2)c1 ZINC000736520386 600293736 /nfs/dbraw/zinc/29/37/36/600293736.db2.gz GDTQSBGAJDQDRO-UHFFFAOYSA-N -1 0 342.395 3.595 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(Cc1csc(-c3cccs3)n1)CC2 ZINC000652479699 600296950 /nfs/dbraw/zinc/29/69/50/600296950.db2.gz ZOISJJKQQPFJHW-LBPRGKRZSA-N -1 0 334.466 3.558 20 0 EHADRM CCc1cc2c(ncnc2Nc2ccc(CNC(=O)[O-])cc2)s1 ZINC000737251214 600314173 /nfs/dbraw/zinc/31/41/73/600314173.db2.gz ARYGIZYXAKZMMS-UHFFFAOYSA-N -1 0 328.397 3.765 20 0 EHADRM CC(C)c1ccc(NC(=O)CNc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000736515801 600316038 /nfs/dbraw/zinc/31/60/38/600316038.db2.gz RPVJBHUOLWXDAI-UHFFFAOYSA-N -1 0 341.411 3.628 20 0 EHADRM CCOc1ccc(CC(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000737198095 600320234 /nfs/dbraw/zinc/32/02/34/600320234.db2.gz ARMXOGTYCSZVHV-KRWDZBQOSA-N -1 0 348.782 3.650 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccc(F)cc1F)c1cccc(Cl)c1 ZINC000740298301 600321772 /nfs/dbraw/zinc/32/17/72/600321772.db2.gz KAUSVLFCHGENOD-ZDUSSCGKSA-N -1 0 326.682 3.601 20 0 EHADRM CCc1nc(C)c(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)s1 ZINC000737282532 600328695 /nfs/dbraw/zinc/32/86/95/600328695.db2.gz ZUGQGFVSCZLCJJ-GFCCVEGCSA-N -1 0 339.800 3.650 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(C(=O)Nc1cccc(Cl)c1Cl)CC2 ZINC000405457555 600333468 /nfs/dbraw/zinc/33/34/68/600333468.db2.gz YVIYZGDQVFYSOM-VIFPVBQESA-N -1 0 343.210 3.712 20 0 EHADRM Cc1cc(C)c(NC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)c(Cl)c1 ZINC000738359476 600333651 /nfs/dbraw/zinc/33/36/51/600333651.db2.gz TUKYJTOYDJCGOO-LBPRGKRZSA-N -1 0 336.819 3.675 20 0 EHADRM CS[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000318881991 600336188 /nfs/dbraw/zinc/33/61/88/600336188.db2.gz MXFJPUDAIFIQRT-MWLCHTKSSA-N -1 0 342.848 3.834 20 0 EHADRM Cc1cc(OC(C)C)ccc1NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000738464141 600336589 /nfs/dbraw/zinc/33/65/89/600336589.db2.gz BTKYIFMZGZOLCM-OAHLLOKOSA-N -1 0 346.427 3.501 20 0 EHADRM CN(Cc1ccc(NC(=O)NC(C)(C)c2cccs2)cc1)C(=O)[O-] ZINC000737483723 600347649 /nfs/dbraw/zinc/34/76/49/600347649.db2.gz UNBYGLUTDBFPQY-UHFFFAOYSA-N -1 0 347.440 3.915 20 0 EHADRM CC(C)(C)C[C@H]1CCCN1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736251201 600348116 /nfs/dbraw/zinc/34/81/16/600348116.db2.gz MVOJNGPRBLAOTH-OAHLLOKOSA-N -1 0 333.432 3.887 20 0 EHADRM CCc1ccc([C@H](C)NC(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000737259300 600351386 /nfs/dbraw/zinc/35/13/86/600351386.db2.gz OFVGYCZRCGDXLU-ZDUSSCGKSA-N -1 0 341.411 3.899 20 0 EHADRM Cc1cc(C)c(CSCc2noc(CCCC(=O)[O-])n2)c(C)c1 ZINC000738356041 600351768 /nfs/dbraw/zinc/35/17/68/600351768.db2.gz QCKNEUVZQBNKPM-UHFFFAOYSA-N -1 0 334.441 3.836 20 0 EHADRM CCC1CCC(N(C)C(=O)Nc2ccc(CNC(=O)[O-])cc2)CC1 ZINC000736940451 600356587 /nfs/dbraw/zinc/35/65/87/600356587.db2.gz KFXZYPOMVVCACN-UHFFFAOYSA-N -1 0 333.432 3.887 20 0 EHADRM Cc1cc(NC(=O)CCOc2ccccc2Cl)sc1C(=O)[O-] ZINC000314312064 600370496 /nfs/dbraw/zinc/37/04/96/600370496.db2.gz OGXACPSCRXSXND-UHFFFAOYSA-N -1 0 339.800 3.816 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000736625832 600374254 /nfs/dbraw/zinc/37/42/54/600374254.db2.gz HMTOEAOPZLZWCA-VIFPVBQESA-N -1 0 337.297 3.619 20 0 EHADRM CCC[C@@](C)(NC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000236965043 600374971 /nfs/dbraw/zinc/37/49/71/600374971.db2.gz JFKCCAHXBYIHSA-BDJLRTHQSA-N -1 0 345.361 3.644 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1 ZINC000737258154 600375337 /nfs/dbraw/zinc/37/53/37/600375337.db2.gz YKPNGCAQMLYLRJ-FDPIWHGQSA-N -1 0 343.467 3.987 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)Nc2cc(C(=O)[O-])c[nH]c2=O)cc1 ZINC000736512619 600375430 /nfs/dbraw/zinc/37/54/30/600375430.db2.gz KHBCMIADQABLPX-GFCCVEGCSA-N -1 0 342.395 3.741 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000237028369 600375934 /nfs/dbraw/zinc/37/59/34/600375934.db2.gz GEICQHCOBIWMBJ-LLVKDONJSA-N -1 0 331.334 3.522 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N(CC(=O)[O-])Cc2ccccc2)cc1 ZINC000737256353 600376096 /nfs/dbraw/zinc/37/60/96/600376096.db2.gz HALSTMOMBXSXNU-MRXNPFEDSA-N -1 0 339.435 3.856 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(OCCCC(=O)[O-])cc1)c1ccsc1 ZINC000263176591 600378848 /nfs/dbraw/zinc/37/88/48/600378848.db2.gz TWDYPXWQCRLSEQ-GFCCVEGCSA-N -1 0 333.409 3.734 20 0 EHADRM O=C([O-])[C@H](Sc1n[nH]c(C=Cc2ccccc2)n1)c1ccccc1 ZINC000739511251 600379141 /nfs/dbraw/zinc/37/91/41/600379141.db2.gz FYJURBUKMUQXFJ-YUQCYMQKSA-N -1 0 337.404 3.893 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1cnc(C(C)(C)C)s1)c1ccccc1 ZINC000736851525 600379152 /nfs/dbraw/zinc/37/91/52/600379152.db2.gz PKQMVDLUQBKHPP-CYBMUJFWSA-N -1 0 346.452 3.951 20 0 EHADRM CCN(C(=O)Nc1cc(C(=O)[O-])c(F)cc1F)C1CCCCC1 ZINC000320815343 600379961 /nfs/dbraw/zinc/37/99/61/600379961.db2.gz ORANCUFJVMKNPW-UHFFFAOYSA-N -1 0 326.343 3.850 20 0 EHADRM O=C(/C=C/C1CCCCC1)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC000739210446 600381666 /nfs/dbraw/zinc/38/16/66/600381666.db2.gz RTIQZXUXIZCQDZ-VOTSOKGWSA-N -1 0 345.424 3.911 20 0 EHADRM CC(C)Oc1ccccc1CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000736492840 600382271 /nfs/dbraw/zinc/38/22/71/600382271.db2.gz KOSNJWVJLZMAIJ-UHFFFAOYSA-N -1 0 346.358 3.633 20 0 EHADRM Cc1ccc2c(c1)[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)CC2 ZINC000738671584 600384728 /nfs/dbraw/zinc/38/47/28/600384728.db2.gz ZVYGELDXCWCQRT-MRXNPFEDSA-N -1 0 328.343 3.641 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736324556 600384978 /nfs/dbraw/zinc/38/49/78/600384978.db2.gz RWPHTGHSKCFIPJ-UHFFFAOYSA-N -1 0 340.423 3.704 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)c2csc3ccccc23)cc1 ZINC000740021256 600385033 /nfs/dbraw/zinc/38/50/33/600385033.db2.gz ZIFQBKMJPCTOIJ-UHFFFAOYSA-N -1 0 340.404 3.964 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@@H](C)c1ccccc1F)c1ccccc1 ZINC000736845709 600385171 /nfs/dbraw/zinc/38/51/71/600385171.db2.gz CMTUNLRBIGPWGK-SUMWQHHRSA-N -1 0 329.371 3.826 20 0 EHADRM Cc1ccc(C(C)(C)C(=O)NCCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738547050 600386342 /nfs/dbraw/zinc/38/63/42/600386342.db2.gz NCMZFXCUBYQNSD-UHFFFAOYSA-N -1 0 340.423 3.721 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1cnc(C2CC2)s1)c1ccccc1 ZINC000736852776 600386849 /nfs/dbraw/zinc/38/68/49/600386849.db2.gz ZRKCNHVHMISKPM-ZDUSSCGKSA-N -1 0 330.409 3.531 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)/C=C\Sc2ccccc2)cc1 ZINC000740017674 600387258 /nfs/dbraw/zinc/38/72/58/600387258.db2.gz SLCKVGIIJKNUIW-QBFSEMIESA-N -1 0 342.420 3.741 20 0 EHADRM CCOc1ccccc1[C@@H](C)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000737212698 600387352 /nfs/dbraw/zinc/38/73/52/600387352.db2.gz IDWLEAAKSOQSHX-LLVKDONJSA-N -1 0 346.358 3.805 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)Cc1cc(C)ccc1C)c1ccccc1 ZINC000736850512 600387429 /nfs/dbraw/zinc/38/74/29/600387429.db2.gz AIRLAENDNAKMPL-SFHVURJKSA-N -1 0 325.408 3.742 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)cn1 ZINC000237600878 600391057 /nfs/dbraw/zinc/39/10/57/600391057.db2.gz LYSHKFHBICXKIG-KRWDZBQOSA-N -1 0 340.423 3.633 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)Cc2ccsc2)cc1 ZINC000236611067 600392168 /nfs/dbraw/zinc/39/21/68/600392168.db2.gz BCTXRCBKNWGQEF-INIZCTEOSA-N -1 0 345.464 3.920 20 0 EHADRM CSC[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000237356724 600393479 /nfs/dbraw/zinc/39/34/79/600393479.db2.gz MYHVZMWEHHHQRK-DOMZBBRYSA-N -1 0 337.485 3.615 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCCCSc2ccccc2)c(F)c1 ZINC000739423136 600398750 /nfs/dbraw/zinc/39/87/50/600398750.db2.gz JMCUUTFRQJAOGR-UHFFFAOYSA-N -1 0 348.399 3.828 20 0 EHADRM CN(CCCc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000737440343 600399487 /nfs/dbraw/zinc/39/94/87/600399487.db2.gz GGKLSBUUZSRAFM-UHFFFAOYSA-N -1 0 330.359 3.620 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CC[C@H](c3cccc(F)c3)C2)c(F)c1 ZINC000740148213 600399809 /nfs/dbraw/zinc/39/98/09/600399809.db2.gz SMCLXUBVCPBYBH-ZDUSSCGKSA-N -1 0 346.333 3.684 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)c1c(F)cccc1F ZINC000736648740 600401969 /nfs/dbraw/zinc/40/19/69/600401969.db2.gz JXRIUEFZOIZPMW-MRVPVSSYSA-N -1 0 338.285 3.685 20 0 EHADRM Cc1ccccc1C(C)(C)CNC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000738756470 600403938 /nfs/dbraw/zinc/40/39/38/600403938.db2.gz JIQPBZKFBIZMOK-UHFFFAOYSA-N -1 0 344.386 3.932 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)Nc2ccc(C(=O)[O-])s2)s1 ZINC000738464670 600404686 /nfs/dbraw/zinc/40/46/86/600404686.db2.gz JEQBWJJPFXLUSZ-UHFFFAOYSA-N -1 0 333.337 3.670 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)[C@@H](C)CC1CCCC1)C(=O)[O-] ZINC000237483464 600407567 /nfs/dbraw/zinc/40/75/67/600407567.db2.gz LUTXIFOAEKANFE-HOTGVXAUSA-N -1 0 331.456 3.952 20 0 EHADRM Cc1nn(C)c(C)c1[C@@H]1CCCN1[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000738907773 600408593 /nfs/dbraw/zinc/40/85/93/600408593.db2.gz AXULGMFVNHIOSX-DOTOQJQBSA-N -1 0 347.846 3.653 20 0 EHADRM CC(=O)Nc1cc(N[C@H](C(=O)[O-])c2cccc(Cl)c2)ccc1C ZINC000736160395 600424011 /nfs/dbraw/zinc/42/40/11/600424011.db2.gz CYNHRGOFPKFZAU-INIZCTEOSA-N -1 0 332.787 3.845 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)C[C@@H]2CCc3ccccc3C2)cc1 ZINC000737331288 600426672 /nfs/dbraw/zinc/42/66/72/600426672.db2.gz HRZKRZPRJGJIFX-CQSZACIVSA-N -1 0 338.407 3.935 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000139252523 600426815 /nfs/dbraw/zinc/42/68/15/600426815.db2.gz VJAZQDAQFLAJEA-CRAIPNDOSA-N -1 0 325.408 3.588 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cc2c(s1)CCCC2)c1ccc(F)cc1 ZINC000740291631 600444037 /nfs/dbraw/zinc/44/40/37/600444037.db2.gz MWMRWVWUISLXAS-OAHLLOKOSA-N -1 0 334.368 3.749 20 0 EHADRM Cc1ccc(C)c(SCC(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000738578711 600444672 /nfs/dbraw/zinc/44/46/72/600444672.db2.gz IGJKEXTVMJOKJT-KRWDZBQOSA-N -1 0 348.395 3.904 20 0 EHADRM CCn1cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)c2ccccc21 ZINC000737301814 600448024 /nfs/dbraw/zinc/44/80/24/600448024.db2.gz BDUHPGJQJSESRO-QGZVFWFLSA-N -1 0 341.338 3.783 20 0 EHADRM CC(C)c1ccc(OCC(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000736515077 600448131 /nfs/dbraw/zinc/44/81/31/600448131.db2.gz FQBLFVUMHGDZKW-GOSISDBHSA-N -1 0 346.354 3.697 20 0 EHADRM CC(C)CO[C@@H](C)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000736444775 600450678 /nfs/dbraw/zinc/45/06/78/600450678.db2.gz VOJLLZFDNFOPFQ-JTQLQIEISA-N -1 0 327.446 3.743 20 0 EHADRM CCCc1nc(C)c(C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)s1 ZINC000737049795 600450881 /nfs/dbraw/zinc/45/08/81/600450881.db2.gz DMDOFVBPFPHFLM-CYBMUJFWSA-N -1 0 337.372 3.526 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CCNC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000736780959 600451188 /nfs/dbraw/zinc/45/11/88/600451188.db2.gz MRGOVTODUPVSIM-GDBMZVCRSA-N -1 0 332.444 3.743 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)CC[C@@H]2CCCO2)s1 ZINC000736294195 600451456 /nfs/dbraw/zinc/45/14/56/600451456.db2.gz KGBNSUUGFXZKAM-JTQLQIEISA-N -1 0 325.430 3.642 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736710122 600451734 /nfs/dbraw/zinc/45/17/34/600451734.db2.gz ZXJPHVWPDDSSHK-LRDDRELGSA-N -1 0 348.395 3.817 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccc(OCC2CC2)cc1)c1ccc(F)cc1 ZINC000740289184 600453328 /nfs/dbraw/zinc/45/33/28/600453328.db2.gz DTNIRNMLWZQINE-KRWDZBQOSA-N -1 0 344.338 3.597 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736622868 600453852 /nfs/dbraw/zinc/45/38/52/600453852.db2.gz VYGUHLIKWGDXMI-MEDUHNTESA-N -1 0 334.318 3.513 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)OCc2ccc(C(=O)[O-])cc2)s1 ZINC000738464710 600454662 /nfs/dbraw/zinc/45/46/62/600454662.db2.gz LZVWHBZOHPJUBL-UHFFFAOYSA-N -1 0 342.319 3.713 20 0 EHADRM CCOc1cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)ccc1C ZINC000737193439 600456326 /nfs/dbraw/zinc/45/63/26/600456326.db2.gz RBNPOGDYEMYIID-MRXNPFEDSA-N -1 0 332.327 3.516 20 0 EHADRM Cc1ccc2cccc(NC(=O)N(C)Cc3ccc(C(=O)[O-])cc3)c2n1 ZINC000738675376 600456935 /nfs/dbraw/zinc/45/69/35/600456935.db2.gz LWTLGRODJMAUJA-UHFFFAOYSA-N -1 0 349.390 3.905 20 0 EHADRM O=C(/C=C/c1ccnc2ccccc12)O[C@@H](C(=O)[O-])c1ccccc1 ZINC000739214548 600458739 /nfs/dbraw/zinc/45/87/39/600458739.db2.gz FKUXNZMQDIOOIY-GNISGLHKSA-N -1 0 333.343 3.617 20 0 EHADRM CC(C)(C)C1CCN(C(=O)NCCc2ccc(NC(=O)[O-])cc2)CC1 ZINC000736253634 600461018 /nfs/dbraw/zinc/46/10/18/600461018.db2.gz YXEXJQYALSTDEG-UHFFFAOYSA-N -1 0 347.459 3.787 20 0 EHADRM CC(C)c1ccc(C(=O)NCCc2ccc(NC(=O)[O-])cc2)c(O)c1 ZINC000736512780 600464603 /nfs/dbraw/zinc/46/46/03/600464603.db2.gz MTIKCLKDKDYSAO-UHFFFAOYSA-N -1 0 342.395 3.578 20 0 EHADRM CC(C)c1csc2[nH]c(Cc3ccc(C(=O)[O-])cc3)nc(=O)c12 ZINC000736522497 600465432 /nfs/dbraw/zinc/46/54/32/600465432.db2.gz JQGAEGMQGGSDRF-UHFFFAOYSA-N -1 0 328.393 3.809 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)N2CCCSCC2)s1 ZINC000736294778 600469346 /nfs/dbraw/zinc/46/93/46/600469346.db2.gz RDGPLTJXYJMROY-UHFFFAOYSA-N -1 0 342.486 3.715 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OC(=O)[C@@H]1CSc2ccccc21 ZINC000740076343 600475359 /nfs/dbraw/zinc/47/53/59/600475359.db2.gz WYQFRRFDUAOKOS-GFCCVEGCSA-N -1 0 334.780 3.833 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@H]2CSc3ccccc32)cc1 ZINC000238047359 600475813 /nfs/dbraw/zinc/47/58/13/600475813.db2.gz RDJOCNSDYMBCTA-HNNXBMFYSA-N -1 0 327.405 3.532 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc3ccccc3n2)cc1Cl ZINC000238190677 600477113 /nfs/dbraw/zinc/47/71/13/600477113.db2.gz CNLDAIYJZXHSPI-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM CSc1ccc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)o1 ZINC000362573093 600479146 /nfs/dbraw/zinc/47/91/46/600479146.db2.gz PBTWJZORVKDIHM-UHFFFAOYSA-N -1 0 337.422 3.572 20 0 EHADRM CC(C)(C)c1ccc(CCCC(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000566060184 600479969 /nfs/dbraw/zinc/47/99/69/600479969.db2.gz ULNCFOBUSFOBLY-UHFFFAOYSA-N -1 0 343.423 3.914 20 0 EHADRM COc1c(Cl)cc(NC(=O)NCCCCCC(=O)[O-])cc1Cl ZINC000417750282 600480145 /nfs/dbraw/zinc/48/01/45/600480145.db2.gz GCVZCSGDNDCTEL-UHFFFAOYSA-N -1 0 349.214 3.769 20 0 EHADRM C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000736834603 600481797 /nfs/dbraw/zinc/48/17/97/600481797.db2.gz BFCNVLZSYBCHNS-JTQLQIEISA-N -1 0 346.333 3.814 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(-c3ccccc3)[nH]n2)cc1Cl ZINC000238186758 600486234 /nfs/dbraw/zinc/48/62/34/600486234.db2.gz NYKVONSCASUCCZ-UHFFFAOYSA-N -1 0 341.754 3.681 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000736904118 600493717 /nfs/dbraw/zinc/49/37/17/600493717.db2.gz PWWCFHARMORJCJ-IEBWSBKVSA-N -1 0 339.435 3.548 20 0 EHADRM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)c1cccc(C(=O)[O-])n1 ZINC000362531213 600496512 /nfs/dbraw/zinc/49/65/12/600496512.db2.gz CSNVHIBYNSCERV-KRWDZBQOSA-N -1 0 326.396 3.558 20 0 EHADRM CCC1CCC(N(C)C(=O)NCCc2ccc(NC(=O)[O-])cc2)CC1 ZINC000736940566 600498749 /nfs/dbraw/zinc/49/87/49/600498749.db2.gz LZJQFEJDHVWKQU-UHFFFAOYSA-N -1 0 347.459 3.929 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H]2CCc3ccc(F)cc32)cc1Cl ZINC000739465261 600509987 /nfs/dbraw/zinc/50/99/87/600509987.db2.gz VYOYFGUYAMGTDE-HNNXBMFYSA-N -1 0 348.761 3.986 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H]2C[C@H]2c2ccccc2)cc1Cl ZINC000321405247 600510273 /nfs/dbraw/zinc/51/02/73/600510273.db2.gz AOWRDLXYKHORDF-ZFWWWQNUSA-N -1 0 330.771 3.716 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCCCc2ccccc2)cc1Cl ZINC000390447993 600510616 /nfs/dbraw/zinc/51/06/16/600510616.db2.gz ZGIPGLKEJFTNPE-UHFFFAOYSA-N -1 0 332.787 3.793 20 0 EHADRM Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)OC(=O)CCNC(=O)[O-] ZINC000738251086 600511957 /nfs/dbraw/zinc/51/19/57/600511957.db2.gz GWQFVYWLDAOKIK-LBPRGKRZSA-N -1 0 348.424 3.689 20 0 EHADRM C[C@@H](CCc1ccco1)NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000320768830 600516277 /nfs/dbraw/zinc/51/62/77/600516277.db2.gz GLBJLEXSNBVZCO-JTQLQIEISA-N -1 0 336.775 3.774 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@H](Cc1ccccc1)C(C)C ZINC000737857389 600521258 /nfs/dbraw/zinc/52/12/58/600521258.db2.gz CUEFUAGBEYESBC-MRXNPFEDSA-N -1 0 342.391 3.814 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1cc2c(s1)-c1ccccc1CC2)C(=O)[O-] ZINC000736244368 600522293 /nfs/dbraw/zinc/52/22/93/600522293.db2.gz YUXHZPCUMFZVFR-INIZCTEOSA-N -1 0 343.448 3.743 20 0 EHADRM CCN(C(=O)COc1ccc(Cl)c(C)c1)c1ccccc1C(=O)[O-] ZINC000737060633 600523482 /nfs/dbraw/zinc/52/34/82/600523482.db2.gz PLGDNTFVTZDBPT-UHFFFAOYSA-N -1 0 347.798 3.779 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000621556135 600527104 /nfs/dbraw/zinc/52/71/04/600527104.db2.gz CTAUTTWCDPYUOP-LJQANCHMSA-N -1 0 337.419 3.742 20 0 EHADRM C[C@@H]1CCC[C@H](OCC(=O)Oc2ccc(Cl)cc2C(=O)[O-])C1 ZINC000736781865 600534369 /nfs/dbraw/zinc/53/43/69/600534369.db2.gz SQBCATYXGMUJMJ-PWSUYJOCSA-N -1 0 326.776 3.539 20 0 EHADRM Cc1c(Cl)c(C(=O)[O-])nn1CN(C)[C@H](c1ccccc1)C(C)C ZINC000738289840 600539415 /nfs/dbraw/zinc/53/94/15/600539415.db2.gz OCZIYONACOOOEG-INIZCTEOSA-N -1 0 335.835 3.830 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cccc3ccccc32)cc([N+](=O)[O-])c1 ZINC000238191244 600540778 /nfs/dbraw/zinc/54/07/78/600540778.db2.gz WISCCNFSRRVVSW-UHFFFAOYSA-N -1 0 336.303 3.699 20 0 EHADRM CC(C)[C@H]1CCCN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)CC1 ZINC000325901489 600543579 /nfs/dbraw/zinc/54/35/79/600543579.db2.gz WZMLOYBBEWDMOH-INIZCTEOSA-N -1 0 332.444 3.994 20 0 EHADRM C[C@@H](NC(=O)NCc1ccc(C(=O)[O-])o1)c1cc2ccccc2s1 ZINC000736645824 600545706 /nfs/dbraw/zinc/54/57/06/600545706.db2.gz HXCRDBXJEZGFQH-SNVBAGLBSA-N -1 0 344.392 3.753 20 0 EHADRM O=C([O-])c1cc(NC(=O)NC/C=C/c2ccccc2)ccc1Cl ZINC000739413323 600547413 /nfs/dbraw/zinc/54/74/13/600547413.db2.gz AGDTTZJKCLYOGM-QPJJXVBHSA-N -1 0 330.771 3.873 20 0 EHADRM Cc1nc2c(s1)[C@H](OC(=O)CCc1ccc(C(=O)[O-])cc1)CCC2 ZINC000738872124 600550134 /nfs/dbraw/zinc/55/01/34/600550134.db2.gz ASZSGGAFTRJMMR-OAHLLOKOSA-N -1 0 345.420 3.703 20 0 EHADRM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000237496272 600550882 /nfs/dbraw/zinc/55/08/82/600550882.db2.gz SQWINMKFSLTVDK-SECBINFHSA-N -1 0 337.734 3.583 20 0 EHADRM O=C([O-])CCNC(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 ZINC000739733673 600551355 /nfs/dbraw/zinc/55/13/55/600551355.db2.gz OCIJOJVGDMSFQC-UHFFFAOYSA-N -1 0 334.759 3.729 20 0 EHADRM CC(C)[C@H](C)C(=O)N(Cc1ccoc1C(=O)[O-])[C@@H](C)c1ccccn1 ZINC000736349507 600554925 /nfs/dbraw/zinc/55/49/25/600554925.db2.gz MZBMNDGINRFTMQ-KBPBESRZSA-N -1 0 344.411 3.755 20 0 EHADRM CCCCOc1ccc(NC(=O)N2CCC(C(=O)[O-])CC2)c(C)c1 ZINC000263456406 600557007 /nfs/dbraw/zinc/55/70/07/600557007.db2.gz CENQCYPOWMUBRU-UHFFFAOYSA-N -1 0 334.416 3.502 20 0 EHADRM O=C([O-])C1CCN(C(=O)Nc2cccc(-c3cccs3)c2)CC1 ZINC000263481968 600558182 /nfs/dbraw/zinc/55/81/82/600558182.db2.gz LBQHZCZSPDQPPM-UHFFFAOYSA-N -1 0 330.409 3.744 20 0 EHADRM CC[C@H](C)N(Cc1ccccc1)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC000395732458 600568614 /nfs/dbraw/zinc/56/86/14/600568614.db2.gz ZPTXVJPRVHYZGA-ZDUSSCGKSA-N -1 0 329.400 3.854 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)Nc1nnc(C2CCCCC2)s1 ZINC000740057485 600573713 /nfs/dbraw/zinc/57/37/13/600573713.db2.gz VRKHKZOTXPRAOW-UHFFFAOYSA-N -1 0 346.412 3.928 20 0 EHADRM Cc1c2ccccc2oc1CNC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237594008 600578574 /nfs/dbraw/zinc/57/85/74/600578574.db2.gz XNPWXHLPOPTJCW-UHFFFAOYSA-N -1 0 337.375 3.688 20 0 EHADRM C[C@H](CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)c1cccnc1 ZINC000736548961 600583345 /nfs/dbraw/zinc/58/33/45/600583345.db2.gz GQCBHQOILQCUGR-LLVKDONJSA-N -1 0 344.436 3.852 20 0 EHADRM CC(C)(C(=O)Nc1ccc(F)c(NC(=O)[O-])c1)c1cccc(F)c1 ZINC000736230663 600586606 /nfs/dbraw/zinc/58/66/06/600586606.db2.gz OXVIJMFVWJNEGT-UHFFFAOYSA-N -1 0 334.322 3.971 20 0 EHADRM Cc1cccc([C@@H](C)OC(=O)Cn2cc(C(=O)[O-])c3ccccc32)c1 ZINC000738690374 600589460 /nfs/dbraw/zinc/58/94/60/600589460.db2.gz IKYSSPRLZMQSGR-CQSZACIVSA-N -1 0 337.375 3.952 20 0 EHADRM C/C(=C/C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1)c1cccc(F)c1 ZINC000736118891 600596069 /nfs/dbraw/zinc/59/60/69/600596069.db2.gz ZAXWDFTXBFKULC-FWFZHJKVSA-N -1 0 327.355 3.513 20 0 EHADRM CCC/C(C)=C\C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000736960501 600597723 /nfs/dbraw/zinc/59/77/23/600597723.db2.gz VYPZYFHENQDITR-WTQUMQLASA-N -1 0 339.435 3.946 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000738253900 600597737 /nfs/dbraw/zinc/59/77/37/600597737.db2.gz UGZDAEPEXKERQU-HNNXBMFYSA-N -1 0 341.338 3.778 20 0 EHADRM C/C(=C/C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-])C1CC1 ZINC000736122293 600598383 /nfs/dbraw/zinc/59/83/83/600598383.db2.gz ZCHAKYLRTVKKCO-RMHQSFGDSA-N -1 0 337.419 3.556 20 0 EHADRM CN(C(=O)CCc1ccc(Cl)cc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737319949 600599214 /nfs/dbraw/zinc/59/92/14/600599214.db2.gz SWFAKSYTQJZEFT-KRWDZBQOSA-N -1 0 331.799 3.557 20 0 EHADRM O=C([O-])CN(C(=O)CCCc1ccc(Cl)cc1)c1ccccc1 ZINC000337764682 600602392 /nfs/dbraw/zinc/60/23/92/600602392.db2.gz YTBYATKZCGJUDL-UHFFFAOYSA-N -1 0 331.799 3.781 20 0 EHADRM C[C@@H]1CCc2c(C(=O)N(C)[C@H](C(=O)[O-])c3ccccc3)csc2C1 ZINC000736803437 600602480 /nfs/dbraw/zinc/60/24/80/600602480.db2.gz VWWDAFDZSNEZNZ-PXAZEXFGSA-N -1 0 343.448 3.771 20 0 EHADRM O=C(/C=C/c1ccco1)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000238183942 600604488 /nfs/dbraw/zinc/60/44/88/600604488.db2.gz PGFPLUAFCLUDRQ-QZEKMECESA-N -1 0 349.386 3.506 20 0 EHADRM C[C@@](NC(=O)CC(c1ccccc1)c1ccccc1)(C(=O)[O-])C1CC1 ZINC000237712125 600616686 /nfs/dbraw/zinc/61/66/86/600616686.db2.gz PDTVPDHLHRNXFN-NRFANRHFSA-N -1 0 337.419 3.578 20 0 EHADRM CC(C)[C@H](CC1CCCCC1)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736352284 600617956 /nfs/dbraw/zinc/61/79/56/600617956.db2.gz JFGULLRZTOZZMP-IRXDYDNUSA-N -1 0 335.488 3.942 20 0 EHADRM O=C([O-])c1cccc(C(=O)OCc2cc(Br)cs2)c1 ZINC000740220790 600619337 /nfs/dbraw/zinc/61/93/37/600619337.db2.gz IQTGIRLPKMDELJ-UHFFFAOYSA-N -1 0 341.182 3.566 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000178251969 600620437 /nfs/dbraw/zinc/62/04/37/600620437.db2.gz HDNRGCDGEVRGIN-CQSZACIVSA-N -1 0 325.792 3.715 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2sccc2OC(F)F)c1 ZINC000178253297 600621739 /nfs/dbraw/zinc/62/17/39/600621739.db2.gz DKZOUDGDBOIYKS-UHFFFAOYSA-N -1 0 347.726 3.953 20 0 EHADRM O=C([O-])[C@@H](NCc1coc(-c2cccc(Cl)c2)n1)c1ccccc1 ZINC000324249219 600626115 /nfs/dbraw/zinc/62/61/15/600626115.db2.gz CWQKILIPORKIGY-INIZCTEOSA-N -1 0 342.782 3.911 20 0 EHADRM CC(C)(C)Oc1ccccc1NCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000736285645 600626608 /nfs/dbraw/zinc/62/66/08/600626608.db2.gz IMFGGGMROJNINI-UHFFFAOYSA-N -1 0 342.395 3.613 20 0 EHADRM CC(C)c1ccc(NC(=O)Nc2nnc(CCCC(=O)[O-])s2)cc1 ZINC000736515105 600630799 /nfs/dbraw/zinc/63/07/99/600630799.db2.gz HOSMIJHZLYAHRP-UHFFFAOYSA-N -1 0 348.428 3.713 20 0 EHADRM Cc1ccc(-c2ncc(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)s2)c(C)c1 ZINC000675984725 600642343 /nfs/dbraw/zinc/64/23/43/600642343.db2.gz RBHOMSGGPMXTGD-AWEZNQCLSA-N -1 0 346.452 3.656 20 0 EHADRM C[C@@H]1CCc2[nH]c3ccc(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)cc3c2C1 ZINC000736802717 600642853 /nfs/dbraw/zinc/64/28/53/600642853.db2.gz PXYOBAJKINBFMV-PIGZYNQJSA-N -1 0 342.439 3.522 20 0 EHADRM Cc1ccnc(-c2cccc(NC(=O)c3ccccc3NC(=O)[O-])c2)n1 ZINC000738792672 600646372 /nfs/dbraw/zinc/64/63/72/600646372.db2.gz OWYGOSRCZJQAKX-UHFFFAOYSA-N -1 0 348.362 3.794 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN(C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000736740960 600652762 /nfs/dbraw/zinc/65/27/62/600652762.db2.gz INLHEKREXIRSNK-HXUWFJFHSA-N -1 0 338.407 3.970 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)c2)oc1C ZINC000179976234 600659075 /nfs/dbraw/zinc/65/90/75/600659075.db2.gz DMCKDRQFSPEDIW-DZGCQCFKSA-N -1 0 342.395 3.788 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000179976701 600660928 /nfs/dbraw/zinc/66/09/28/600660928.db2.gz AVTCBHDKTRWHSG-IHRRRGAJSA-N -1 0 329.396 3.809 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000236728746 600661035 /nfs/dbraw/zinc/66/10/35/600661035.db2.gz SIJIPRJNYGAGLA-ZWKOTPCHSA-N -1 0 331.456 3.873 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NCCc2cc(Cl)cc(Cl)c2)C1 ZINC000179981510 600661790 /nfs/dbraw/zinc/66/17/90/600661790.db2.gz OIIJYJRQRMRDJJ-VXGBXAGGSA-N -1 0 344.238 3.543 20 0 EHADRM CSc1ccc(O[C@@H](C)C(=O)Nc2sccc2C(=O)[O-])cc1 ZINC000738212232 600661910 /nfs/dbraw/zinc/66/19/10/600661910.db2.gz LTYKVSTUFHJSOZ-VIFPVBQESA-N -1 0 337.422 3.574 20 0 EHADRM CC(C)(CNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000179984034 600662227 /nfs/dbraw/zinc/66/22/27/600662227.db2.gz DZBYNCCVYZMIJU-QWHCGFSZSA-N -1 0 337.847 3.625 20 0 EHADRM CCCCc1nc(CNc2cc3ccccc3cc2C(=O)[O-])no1 ZINC000737003303 600676360 /nfs/dbraw/zinc/67/63/60/600676360.db2.gz FYFCQCAWDDNQNW-UHFFFAOYSA-N -1 0 325.368 3.876 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000739893231 600677964 /nfs/dbraw/zinc/67/79/64/600677964.db2.gz WMWYVXQBXCYUET-NWDGAFQWSA-N -1 0 330.302 3.588 20 0 EHADRM Cc1cc(F)cc2[nH]c(C(=O)O[C@@H](C(=O)[O-])c3ccccc3F)cc21 ZINC000832887895 600678707 /nfs/dbraw/zinc/67/87/07/600678707.db2.gz LKIQZSMAAODQRO-MRXNPFEDSA-N -1 0 345.301 3.737 20 0 EHADRM COc1cc(C(=O)[O-])cc(NCc2c(F)cccc2Cl)c1OC ZINC000581443919 600679397 /nfs/dbraw/zinc/67/93/97/600679397.db2.gz VCKPOEDRQZTBFQ-UHFFFAOYSA-N -1 0 339.750 3.807 20 0 EHADRM COC(=O)c1cc(NCc2cccc3ccccc32)ccc1C(=O)[O-] ZINC000737665991 600682123 /nfs/dbraw/zinc/68/21/23/600682123.db2.gz REBCTTAHBZPYFR-UHFFFAOYSA-N -1 0 335.359 3.937 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2Cl)cc1 ZINC000738662449 600690412 /nfs/dbraw/zinc/69/04/12/600690412.db2.gz VHFBNASPDMWWIF-FZMZJTMJSA-N -1 0 348.761 3.855 20 0 EHADRM CC(C)c1ccc([C@H]2C[C@H]2C(=O)N2CCC(CC(=O)[O-])CC2)cc1 ZINC000262411398 600695307 /nfs/dbraw/zinc/69/53/07/600695307.db2.gz JHAAZCZQGCZNPW-QZTJIDSGSA-N -1 0 329.440 3.627 20 0 EHADRM Cn1c(Cl)c(Cl)cc1-c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000833037672 600695436 /nfs/dbraw/zinc/69/54/36/600695436.db2.gz NPPBEFGPXXQXLT-UHFFFAOYSA-N -1 0 338.150 3.747 20 0 EHADRM CCOc1ncc(-c2nc(-c3cccc(C(=O)[O-])c3)no2)cc1Cl ZINC000830123271 600701279 /nfs/dbraw/zinc/70/12/79/600701279.db2.gz TVHSGWIIWQPQDU-UHFFFAOYSA-N -1 0 345.742 3.549 20 0 EHADRM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)c1cccc(C(=O)[O-])n1 ZINC000262444642 600701641 /nfs/dbraw/zinc/70/16/41/600701641.db2.gz VGNVGQOAWHFURD-AWEZNQCLSA-N -1 0 338.407 3.783 20 0 EHADRM CCCc1ccc([C@H](NC(=O)N2CCC[C@H](C(=O)[O-])C2)C(C)C)cc1 ZINC000737045182 600703697 /nfs/dbraw/zinc/70/36/97/600703697.db2.gz OTUMVIFFKJMXKF-ZWKOTPCHSA-N -1 0 346.471 3.842 20 0 EHADRM Cc1cc(COC(=O)c2ccc(-c3ccccc3)n2C)oc1C(=O)[O-] ZINC000832885139 600708329 /nfs/dbraw/zinc/70/83/29/600708329.db2.gz KNVQAGMVLCMLCT-UHFFFAOYSA-N -1 0 339.347 3.649 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000263087018 600726629 /nfs/dbraw/zinc/72/66/29/600726629.db2.gz VEORMMZAOIKROW-RDJZCZTQSA-N -1 0 348.418 3.563 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)/C=C/c1cnc(C(C)(C)C)s1 ZINC000833025814 600736325 /nfs/dbraw/zinc/73/63/25/600736325.db2.gz RLKHDGXNHCHHQY-AATRIKPKSA-N -1 0 349.408 3.797 20 0 EHADRM CC(C)C(=O)Nc1cccc(N[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000826658709 600737015 /nfs/dbraw/zinc/73/70/15/600737015.db2.gz XIZYOHJGDOKVCF-MRXNPFEDSA-N -1 0 330.359 3.658 20 0 EHADRM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)NC2CCC(C(=O)[O-])CC2)C1 ZINC000263511696 600747970 /nfs/dbraw/zinc/74/79/70/600747970.db2.gz YYXKOMFRDWOAQK-ZJOIDMRUSA-N -1 0 348.418 3.562 20 0 EHADRM C[C@@H]1CCC[C@H](C)CN1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000828234349 600773298 /nfs/dbraw/zinc/77/32/98/600773298.db2.gz XZGIJWXAQTZSGD-UONOGXRCSA-N -1 0 333.432 3.539 20 0 EHADRM Cc1cccc([C@@H](C)CNC(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000738690472 600783687 /nfs/dbraw/zinc/78/36/87/600783687.db2.gz KXIPBUYXWYAHMZ-HNNXBMFYSA-N -1 0 325.408 3.546 20 0 EHADRM Cc1ccc2cccc(C(=O)N3CCCc4c(C(=O)[O-])cccc43)c2n1 ZINC000738674860 600785777 /nfs/dbraw/zinc/78/57/77/600785777.db2.gz CWFDPSBEUXKWHS-UHFFFAOYSA-N -1 0 346.386 3.834 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2C[C@]23CCc2ccccc23)cc1Cl ZINC000192851226 600786660 /nfs/dbraw/zinc/78/66/60/600786660.db2.gz SGABUDRZMUNFPI-BEFAXECRSA-N -1 0 341.794 3.881 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc2cc[nH]c2c1)c1cccc(Cl)c1 ZINC000776676871 600799625 /nfs/dbraw/zinc/79/96/25/600799625.db2.gz IQNMHGFDXTWWEO-MRXNPFEDSA-N -1 0 342.782 3.767 20 0 EHADRM O=C([O-])Nc1ccc(OCc2nnc(-c3cccc(F)c3)o2)cc1 ZINC000833289945 600803497 /nfs/dbraw/zinc/80/34/97/600803497.db2.gz MWQPLFFIIRRCDK-UHFFFAOYSA-N -1 0 329.287 3.545 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)Nc2cc(F)c(F)c(F)c2)c1 ZINC000740042392 600812331 /nfs/dbraw/zinc/81/23/31/600812331.db2.gz HQQDFWLAGPGJAZ-UHFFFAOYSA-N -1 0 325.246 3.838 20 0 EHADRM Cc1cccc2c(CCNc3nc(Cl)c(C(=O)[O-])s3)c[nH]c21 ZINC000832974419 600816622 /nfs/dbraw/zinc/81/66/22/600816622.db2.gz KVOQVCVGXPZIIG-UHFFFAOYSA-N -1 0 335.816 3.939 20 0 EHADRM COc1cccc(CCCOc2ccc(/C=C/C(=O)[O-])cc2OC)c1 ZINC000738094503 600817493 /nfs/dbraw/zinc/81/74/93/600817493.db2.gz JNXRSMMHSOZPKG-PKNBQFBNSA-N -1 0 342.391 3.813 20 0 EHADRM Cc1ccc(NC(=S)N2C[C@H](CC(=O)[O-])c3ccccc32)cc1F ZINC000738628464 600820356 /nfs/dbraw/zinc/82/03/56/600820356.db2.gz SNPUNTDXDYNXMP-LBPRGKRZSA-N -1 0 344.411 3.909 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N3CCC(C(C)C)CC3)c12 ZINC000833001814 600820449 /nfs/dbraw/zinc/82/04/49/600820449.db2.gz YIJYXCVDSHOPAD-UHFFFAOYSA-N -1 0 333.457 3.879 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)sc1C(=O)[O-] ZINC000738234156 600826326 /nfs/dbraw/zinc/82/63/26/600826326.db2.gz HJVGDULPUFYSIN-MWLCHTKSSA-N -1 0 337.347 3.775 20 0 EHADRM CCSCC[C@@H](C)Nc1nc(C)nc2sc(C(=O)[O-])c(C)c21 ZINC000830164335 600828074 /nfs/dbraw/zinc/82/80/74/600828074.db2.gz UFHKYMIEWABOIA-MRVPVSSYSA-N -1 0 339.486 3.950 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)c(C(=O)[O-])c1 ZINC000544406895 600832592 /nfs/dbraw/zinc/83/25/92/600832592.db2.gz PZNZSCNSKYHOJX-NEPJUHHUSA-N -1 0 331.318 3.714 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000263030525 600834436 /nfs/dbraw/zinc/83/44/36/600834436.db2.gz UOVUWPADFMVLQK-HZPDHXFCSA-N -1 0 331.412 3.613 20 0 EHADRM Cn1c(S[C@H](C(=O)[O-])c2ccccc2F)nnc1-c1cccs1 ZINC000833039616 600836194 /nfs/dbraw/zinc/83/61/94/600836194.db2.gz OETYURBIVVOPOL-LBPRGKRZSA-N -1 0 349.412 3.601 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)NC(c2cccs2)c2cccs2)C1 ZINC000180017141 600839847 /nfs/dbraw/zinc/83/98/47/600839847.db2.gz NGMRANOMHXZKKI-RYUDHWBXSA-N -1 0 349.477 3.906 20 0 EHADRM CC[C@H]1C[C@H](C)CN1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000829075098 600842993 /nfs/dbraw/zinc/84/29/93/600842993.db2.gz MJTFJVLOXMRHDT-WFASDCNBSA-N -1 0 336.457 3.657 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)c2cc(-c3ccccc3)on2)c2ccccc21 ZINC000739645325 600848292 /nfs/dbraw/zinc/84/82/92/600848292.db2.gz CLFYVGWXGQGOQC-AWEZNQCLSA-N -1 0 348.358 3.560 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)C[C@@H]2CCc3ccccc32)c2ccccc21 ZINC000739642143 600851076 /nfs/dbraw/zinc/85/10/76/600851076.db2.gz NLJIWEXCOZYHLD-JKSUJKDBSA-N -1 0 335.403 3.712 20 0 EHADRM Cc1ccc(SCC(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000391737593 600860342 /nfs/dbraw/zinc/86/03/42/600860342.db2.gz YXGAMWAQPMTCSI-CQSZACIVSA-N -1 0 341.432 3.692 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2ccc(OC3CCC3)cc2)cc1 ZINC000833289401 600862863 /nfs/dbraw/zinc/86/28/63/600862863.db2.gz HFYXLTUYCWJGBG-UHFFFAOYSA-N -1 0 326.352 3.960 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000327159396 600862950 /nfs/dbraw/zinc/86/29/50/600862950.db2.gz PPFYOXXEIUYSOM-GFCCVEGCSA-N -1 0 349.308 3.924 20 0 EHADRM CCc1ccc([C@H]2CCCCN2C(=O)c2ccc(C(=O)[O-])cc2)o1 ZINC000737258757 600866149 /nfs/dbraw/zinc/86/61/49/600866149.db2.gz IIOVPSTXDPYOQK-MRXNPFEDSA-N -1 0 327.380 3.908 20 0 EHADRM Cc1ccc(C2=CCN(C(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)CC2)cc1 ZINC000832930790 600875342 /nfs/dbraw/zinc/87/53/42/600875342.db2.gz RZZBJAFYVUZKNZ-QZTJIDSGSA-N -1 0 327.424 3.502 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2ccc3ncsc3c2)cc1 ZINC000325315592 600879432 /nfs/dbraw/zinc/87/94/32/600879432.db2.gz UQXNAZJDHYCGIA-UHFFFAOYSA-N -1 0 340.404 3.911 20 0 EHADRM Cc1cc2cc(C(=O)N3Cc4ccc(C(=O)[O-])cc4C3)oc2cc1C ZINC000832906243 600880008 /nfs/dbraw/zinc/88/00/08/600880008.db2.gz XNOOPWMTUNVRRQ-UHFFFAOYSA-N -1 0 335.359 3.904 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)[C@H](c2ccccc2)C(C)C)C(=O)[O-])cc1 ZINC000540671487 600880561 /nfs/dbraw/zinc/88/05/61/600880561.db2.gz RSCKAMBDSYOCGX-MOPGFXCFSA-N -1 0 339.435 3.719 20 0 EHADRM C/C(=C/C(=O)Nc1nc2nc(C)cc(C(=O)[O-])c2s1)C(C)(C)C ZINC000825724461 600882731 /nfs/dbraw/zinc/88/27/31/600882731.db2.gz PTMPPPVTCCEKOA-VURMDHGXSA-N -1 0 333.413 3.629 20 0 EHADRM CC(C)CN(CCc1ccc(F)cc1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000826881401 600886306 /nfs/dbraw/zinc/88/63/06/600886306.db2.gz RNFMPTMEAUWRKA-SJORKVTESA-N -1 0 349.446 3.744 20 0 EHADRM CCCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000326601249 600886475 /nfs/dbraw/zinc/88/64/75/600886475.db2.gz GHJXERYMLPVQDK-UHFFFAOYSA-N -1 0 347.436 3.689 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000829009370 600887966 /nfs/dbraw/zinc/88/79/66/600887966.db2.gz CPAFVVUZQVMEMR-XKQJLSEDSA-N -1 0 348.443 3.767 20 0 EHADRM C/C(=C/C(=O)N[C@H](C(=O)[O-])C(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC000736120942 600890491 /nfs/dbraw/zinc/89/04/91/600890491.db2.gz MKYXRVATSIQYFU-QQBNSCQMSA-N -1 0 343.345 3.724 20 0 EHADRM CC(C)Oc1ccccc1[C@H](C)NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000326495106 600892775 /nfs/dbraw/zinc/89/27/75/600892775.db2.gz GVCXWSCSGLYWMT-SOUVJXGZSA-N -1 0 333.428 3.542 20 0 EHADRM CC(C)C[C@@H](CNC(=O)C1CCC(c2ccccc2)CC1)C(=O)[O-] ZINC000486283589 600895267 /nfs/dbraw/zinc/89/52/67/600895267.db2.gz MHEJKCBUHNNTDL-ABHNRTSZSA-N -1 0 331.456 3.824 20 0 EHADRM CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 ZINC000826711031 600901460 /nfs/dbraw/zinc/90/14/60/600901460.db2.gz ZDETXXRWXWTGPT-CYBMUJFWSA-N -1 0 349.456 3.825 20 0 EHADRM Cc1[nH]c(C(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2F)c(C)c1C(=O)[O-] ZINC000832842881 600903878 /nfs/dbraw/zinc/90/38/78/600903878.db2.gz FQKMKGCRQRPGCW-ZUZCIYMTSA-N -1 0 344.386 3.692 20 0 EHADRM CC(C)(CNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000263549987 600904973 /nfs/dbraw/zinc/90/49/73/600904973.db2.gz VXIPDPIGGAEIJR-QWHCGFSZSA-N -1 0 337.847 3.625 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccc(Oc3ccccc3)nc2)C1 ZINC000833185211 600907667 /nfs/dbraw/zinc/90/76/67/600907667.db2.gz GCTRFVLTQQKWRA-KBPBESRZSA-N -1 0 340.379 3.703 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)N[C@H](C(=O)[O-])c2ccccn2)cc1 ZINC000827118245 600915703 /nfs/dbraw/zinc/91/57/03/600915703.db2.gz OZZQFDSOYQGQQN-LIRRHRJNSA-N -1 0 340.423 3.641 20 0 EHADRM Cc1ccc(C[C@@H]2CCCN(C(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)C2)cc1 ZINC000516885841 600916851 /nfs/dbraw/zinc/91/68/51/600916851.db2.gz MEVMOQUPESZVQK-IPMKNSEASA-N -1 0 343.467 3.667 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000486281322 600917873 /nfs/dbraw/zinc/91/78/73/600917873.db2.gz GZNKZNRGSAGAME-IBGZPJMESA-N -1 0 339.435 3.759 20 0 EHADRM CC(C)C[C@@H](CNC(=O)CSc1ccc2ccccc2c1)C(=O)[O-] ZINC000486288246 600918217 /nfs/dbraw/zinc/91/82/17/600918217.db2.gz BCOYKYSZAIDTMA-INIZCTEOSA-N -1 0 345.464 3.795 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2cccc(SC(F)F)c2)C1 ZINC000179996944 600926143 /nfs/dbraw/zinc/92/61/43/600926143.db2.gz TVNXLMIAFUYCDO-UWVGGRQHSA-N -1 0 329.368 3.831 20 0 EHADRM C[C@@H](C(=O)Nc1cccc(CSCCC(=O)[O-])c1)c1cccnc1 ZINC000826022082 600932045 /nfs/dbraw/zinc/93/20/45/600932045.db2.gz WNVVOQZVYNVSQZ-CYBMUJFWSA-N -1 0 344.436 3.532 20 0 EHADRM CC[C@@]1(C)CCCN(C(=O)c2ccccc2S[C@@H](C)C(=O)[O-])C1 ZINC000192967015 600932521 /nfs/dbraw/zinc/93/25/21/600932521.db2.gz OHZZAORHWFQVDT-UGSOOPFHSA-N -1 0 335.469 3.904 20 0 EHADRM C[C@@H]1CC[C@@H](CCC(=O)Oc2cc3ccccc3cc2C(=O)[O-])O1 ZINC000828225540 600939900 /nfs/dbraw/zinc/93/99/00/600939900.db2.gz CXRHYTDVFPFBDD-DOMZBBRYSA-N -1 0 328.364 3.791 20 0 EHADRM O=C([O-])c1ccc(Cl)cc1OC(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000833317544 600939987 /nfs/dbraw/zinc/93/99/87/600939987.db2.gz URCMVKATZRZAFS-KXBFYZLASA-N -1 0 342.778 3.848 20 0 EHADRM Cc1ccccc1-c1csc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)n1 ZINC000832975621 600941854 /nfs/dbraw/zinc/94/18/54/600941854.db2.gz WISPUQVGMUFRSL-STQMWFEESA-N -1 0 344.436 3.948 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000833187199 600942203 /nfs/dbraw/zinc/94/22/03/600942203.db2.gz QMVHMYWSNKAZBE-VHSXEESVSA-N -1 0 336.438 3.701 20 0 EHADRM Cc1oc(COC(=O)/C=C\c2cnc(C(C)(C)C)s2)cc1C(=O)[O-] ZINC000833027731 600942190 /nfs/dbraw/zinc/94/21/90/600942190.db2.gz WVVQCUZSTCPAOC-WAYWQWQTSA-N -1 0 349.408 3.797 20 0 EHADRM Cc1oc(COC(=O)[C@H]2C[C@]23CCCc2ccccc23)cc1C(=O)[O-] ZINC000833027260 600942258 /nfs/dbraw/zinc/94/22/58/600942258.db2.gz QTIRCYLSSCKBSQ-XLIONFOSSA-N -1 0 340.375 3.624 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)OCc1cccc(C(=O)[O-])c1 ZINC000829009563 600944686 /nfs/dbraw/zinc/94/46/86/600944686.db2.gz HGVYESZZTFSMDB-COXVUDFISA-N -1 0 334.412 3.802 20 0 EHADRM CC(C)C[C@H](OC(=O)c1ccc(Oc2ccccc2)nc1)C(=O)[O-] ZINC000826821285 600949428 /nfs/dbraw/zinc/94/94/28/600949428.db2.gz YOROFTVIKYKHDY-HNNXBMFYSA-N -1 0 329.352 3.530 20 0 EHADRM CN(C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1cc(Cl)cc(Cl)c1 ZINC000830464729 600952365 /nfs/dbraw/zinc/95/23/65/600952365.db2.gz LHPXWNLDBHTTFE-VHSXEESVSA-N -1 0 330.211 3.847 20 0 EHADRM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000826694291 600954296 /nfs/dbraw/zinc/95/42/96/600954296.db2.gz SUMJGOUFVYDDLZ-KRWDZBQOSA-N -1 0 344.386 3.913 20 0 EHADRM CCSCC[C@@H](C)NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000262457980 600961293 /nfs/dbraw/zinc/96/12/93/600961293.db2.gz XNQVSAGYIXDWHN-NEPJUHHUSA-N -1 0 341.498 3.513 20 0 EHADRM CCOc1c(F)cccc1C(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000830027315 600964942 /nfs/dbraw/zinc/96/49/42/600964942.db2.gz XPERZZUMVBBDDP-UHFFFAOYSA-N -1 0 349.383 3.725 20 0 EHADRM O=C([O-])c1cccc(OC(=O)c2cc(OCc3ccccc3)ccn2)c1 ZINC000833331475 600965211 /nfs/dbraw/zinc/96/52/11/600965211.db2.gz KCQLHNYRICBYDH-UHFFFAOYSA-N -1 0 349.342 3.578 20 0 EHADRM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC000832927962 600965994 /nfs/dbraw/zinc/96/59/94/600965994.db2.gz NYMXAJQEVHCZTC-CJNGLKHVSA-N -1 0 345.420 3.861 20 0 EHADRM C[C@@H]1CC[C@@H](CCC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)O1 ZINC000828221087 600967048 /nfs/dbraw/zinc/96/70/48/600967048.db2.gz HMVVXSYKCOFDRV-MNOVXSKESA-N -1 0 337.441 3.611 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)[C@@H]3CCCS3)ccc2n1C1CC1 ZINC000832851497 600967259 /nfs/dbraw/zinc/96/72/59/600967259.db2.gz RRUGNGKUNQBYHZ-HNNXBMFYSA-N -1 0 345.420 3.784 20 0 EHADRM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2cccc(C(=O)[O-])n2)o1 ZINC000262348909 600967490 /nfs/dbraw/zinc/96/74/90/600967490.db2.gz BBQRPJFPPFDIDS-BLLLJJGKSA-N -1 0 342.395 3.549 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000776595155 600968368 /nfs/dbraw/zinc/96/83/68/600968368.db2.gz FUZMRPSZPMBQHY-XCRHUMRWSA-N -1 0 345.439 3.648 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N(Cc2ccoc2)C2CCCCC2)C1 ZINC000180017303 600968594 /nfs/dbraw/zinc/96/85/94/600968594.db2.gz SFLYQIAIWJJQFD-CVEARBPZSA-N -1 0 333.428 3.832 20 0 EHADRM Cc1noc(C(F)F)c1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000833019727 600970906 /nfs/dbraw/zinc/97/09/06/600970906.db2.gz OQEDZLQMDJZFNO-UHFFFAOYSA-N -1 0 338.310 3.535 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(OC)cc1C(=O)[O-] ZINC000829009324 600972526 /nfs/dbraw/zinc/97/25/26/600972526.db2.gz BHYAKNZBBLUNPG-IFIJOSMWSA-N -1 0 349.427 3.706 20 0 EHADRM CCOc1c(F)cccc1C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000830027167 600972775 /nfs/dbraw/zinc/97/27/75/600972775.db2.gz OZHWCRBCOVQEPN-INIZCTEOSA-N -1 0 345.370 3.560 20 0 EHADRM Cc1ccc(C(C)(C)CN(C)C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000192971508 600973354 /nfs/dbraw/zinc/97/33/54/600973354.db2.gz HKBVMDNYTIYOJW-JKSUJKDBSA-N -1 0 331.456 3.622 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2cccc(CC(F)(F)F)c2)C1 ZINC000647162200 600975505 /nfs/dbraw/zinc/97/55/05/600975505.db2.gz IFQVDMRUYBOQAY-VXGBXAGGSA-N -1 0 329.318 3.621 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c2cccnc2c1C ZINC000832892654 600976381 /nfs/dbraw/zinc/97/63/81/600976381.db2.gz DYYGTIGTELJMPU-KGLIPLIRSA-N -1 0 326.396 3.681 20 0 EHADRM Cc1cc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c2cccnc2c1C ZINC000832892656 600976485 /nfs/dbraw/zinc/97/64/85/600976485.db2.gz DYYGTIGTELJMPU-UONOGXRCSA-N -1 0 326.396 3.681 20 0 EHADRM CCCn1ccc2ccc(NC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)cc21 ZINC000829585453 600978580 /nfs/dbraw/zinc/97/85/80/600978580.db2.gz XZAKLRJDHLATAV-GJZGRUSLSA-N -1 0 328.412 3.881 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000498644147 600979889 /nfs/dbraw/zinc/97/98/89/600979889.db2.gz RAMVULSIEGCWNN-GJZGRUSLSA-N -1 0 333.428 3.941 20 0 EHADRM O=Cc1cc(C(=O)[O-])ccc1OCc1ncc(-c2ccccc2F)o1 ZINC000740316204 600986454 /nfs/dbraw/zinc/98/64/54/600986454.db2.gz JYUPPSBGTLELCS-UHFFFAOYSA-N -1 0 341.294 3.570 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)c1cnc3ccsc3c1)CCC2 ZINC000739490470 600995315 /nfs/dbraw/zinc/99/53/15/600995315.db2.gz PDIOAUOYBMBJQY-UHFFFAOYSA-N -1 0 344.417 3.797 20 0 EHADRM CC(C)c1cccc(NC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000324950323 600998170 /nfs/dbraw/zinc/99/81/70/600998170.db2.gz GSIUIOOCUSPAIS-QGZVFWFLSA-N -1 0 326.396 3.800 20 0 EHADRM Cc1cc(C)c(NC(=O)NC[C@H](C(=O)[O-])c2ccccc2)c(Cl)c1 ZINC000832874351 600998479 /nfs/dbraw/zinc/99/84/79/600998479.db2.gz KGNATYDHXYHYRW-AWEZNQCLSA-N -1 0 346.814 3.947 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccc2c3c(cccc31)CC2)C(=O)[O-] ZINC000826775171 601000272 /nfs/dbraw/zinc/00/02/72/601000272.db2.gz MMIMQODDCKFOOW-OAHLLOKOSA-N -1 0 340.423 3.807 20 0 EHADRM C[C@H](C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21)c1cccc(Cl)c1 ZINC000345783852 601003386 /nfs/dbraw/zinc/00/33/86/601003386.db2.gz SLZYGWXQLWXRQG-YOENINGUSA-N -1 0 335.831 3.688 20 0 EHADRM CO[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000831511035 601007927 /nfs/dbraw/zinc/00/79/27/601007927.db2.gz OIYJZLMINKQLQM-HNNXBMFYSA-N -1 0 348.786 3.547 20 0 EHADRM COc1ccc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)c(C)c1 ZINC000362573735 601009867 /nfs/dbraw/zinc/00/98/67/601009867.db2.gz WOMOTVSJXATUND-UHFFFAOYSA-N -1 0 345.420 3.574 20 0 EHADRM Cc1ccc(CC[C@H](C)NC(=O)Nc2cccc(C(=O)[O-])c2C)o1 ZINC000832930522 601015837 /nfs/dbraw/zinc/01/58/37/601015837.db2.gz PNUXYJTYQWYZRR-NSHDSACASA-N -1 0 330.384 3.737 20 0 EHADRM C[C@@H]1CN([C@H](C(=O)[O-])c2ccccc2F)C[C@H](c2ccc(F)cc2)O1 ZINC000568642087 601016822 /nfs/dbraw/zinc/01/68/22/601016822.db2.gz XEWQPNXNABPUGK-PJSAGSTRSA-N -1 0 347.361 3.553 20 0 EHADRM CCC[C@H]1[C@H](C)CCCN1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000829246192 601018810 /nfs/dbraw/zinc/01/88/10/601018810.db2.gz WLTBILFZVYQRNG-CJNGLKHVSA-N -1 0 334.416 3.583 20 0 EHADRM C[C@H](C(=O)NCCc1ccc(NC(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000736213988 601020876 /nfs/dbraw/zinc/02/08/76/601020876.db2.gz HHBULMJOKMZOTM-LBPRGKRZSA-N -1 0 346.814 3.892 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1)SC ZINC000318985250 601025858 /nfs/dbraw/zinc/02/58/58/601025858.db2.gz KQGKCFACSKWGBI-UHFFFAOYSA-N -1 0 328.409 3.567 20 0 EHADRM O=C([O-])CCN(C(=O)Cc1cccc(Cl)c1)c1cccc(F)c1 ZINC000739712090 601026957 /nfs/dbraw/zinc/02/69/57/601026957.db2.gz NTPHMARAAKFEER-UHFFFAOYSA-N -1 0 335.762 3.530 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Nc2ccc(Cl)nc2)cc1 ZINC000826122542 601027570 /nfs/dbraw/zinc/02/75/70/601027570.db2.gz BLRMNKUQIBYONQ-UHFFFAOYSA-N -1 0 333.775 3.741 20 0 EHADRM Cc1cccc(F)c1CNC(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000832968590 601030588 /nfs/dbraw/zinc/03/05/88/601030588.db2.gz BJZUDSRFSGHPMD-UHFFFAOYSA-N -1 0 331.347 3.570 20 0 EHADRM O=C([O-])c1cnc(N(C(=O)c2cc3cccc(F)c3o2)C2CC2)s1 ZINC000740258657 601035456 /nfs/dbraw/zinc/03/54/56/601035456.db2.gz IDBOZZVAIBOTAG-UHFFFAOYSA-N -1 0 346.339 3.536 20 0 EHADRM Cc1cc(NC(=O)NC[C@@H](C)c2ccc(F)cc2F)ccc1C(=O)[O-] ZINC000832894936 601040354 /nfs/dbraw/zinc/04/03/54/601040354.db2.gz NTZMABDIKHBOSU-LLVKDONJSA-N -1 0 348.349 3.897 20 0 EHADRM C[C@H](C1CC1)N(C(=O)Nc1cccc(CSCC(=O)[O-])c1)C1CC1 ZINC000827213805 601041364 /nfs/dbraw/zinc/04/13/64/601041364.db2.gz SBDLXBXKFHYNMN-GFCCVEGCSA-N -1 0 348.468 3.799 20 0 EHADRM Cc1cc(C)cc(C[C@@H](C)NC(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000237479972 601043282 /nfs/dbraw/zinc/04/32/82/601043282.db2.gz SDJOIUAHPMJRRW-MRXNPFEDSA-N -1 0 339.435 3.682 20 0 EHADRM Cc1ccc(CC[C@H](C)NC(=O)Nc2ccc(C(=O)[O-])cc2F)o1 ZINC000832930926 601045230 /nfs/dbraw/zinc/04/52/30/601045230.db2.gz UTLVGGWBUHNYHW-JTQLQIEISA-N -1 0 334.347 3.568 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccc(C(C)C)c1 ZINC000547547865 601045515 /nfs/dbraw/zinc/04/55/15/601045515.db2.gz CUVQIYDQGCJGSD-UHFFFAOYSA-N -1 0 333.409 3.617 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)N2C[C@H](C)[C@H]2c2ccccc2)c(C)c1C(=O)[O-] ZINC000832843338 601045947 /nfs/dbraw/zinc/04/59/47/601045947.db2.gz UNRYRMVTMXDNKM-MIUNTBIASA-N -1 0 340.423 3.594 20 0 EHADRM CCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cccc(C(C)C)c1 ZINC000737111972 601048594 /nfs/dbraw/zinc/04/85/94/601048594.db2.gz QHMQGFDHIMNUAD-UHFFFAOYSA-N -1 0 347.436 3.723 20 0 EHADRM CN(Cc1ccc(NC(=O)N[C@H]2C[C@@H]2C2CCCCC2)cc1)C(=O)[O-] ZINC000830835632 601051754 /nfs/dbraw/zinc/05/17/54/601051754.db2.gz IGFFQPPEIARKRU-SJORKVTESA-N -1 0 345.443 3.887 20 0 EHADRM CCC[C@@H]1[C@H](C)CCCN1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000829245196 601052885 /nfs/dbraw/zinc/05/28/85/601052885.db2.gz GKOJDEQDSWYFMW-CZUORRHYSA-N -1 0 333.432 3.887 20 0 EHADRM Cc1cccc(OCCCC(=O)O[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000832972012 601057725 /nfs/dbraw/zinc/05/77/25/601057725.db2.gz DQXVPPKXPWUFJV-GOSISDBHSA-N -1 0 346.354 3.662 20 0 EHADRM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000828148742 601060883 /nfs/dbraw/zinc/06/08/83/601060883.db2.gz DGWWDTFEEOTHQD-YOEHRIQHSA-N -1 0 338.407 3.870 20 0 EHADRM O=C([O-])[C@@H](OC(=O)/C=C/c1ccco1)c1ccc(Cl)cc1Cl ZINC000833095574 601064121 /nfs/dbraw/zinc/06/41/21/601064121.db2.gz UJFYPWBREKEBOM-YVZNUBBCSA-N -1 0 341.146 3.969 20 0 EHADRM COc1ccc(C2(C(=O)Nc3ccc(C)c(C(=O)[O-])c3)CCC2)cc1 ZINC000832264399 601065406 /nfs/dbraw/zinc/06/54/06/601065406.db2.gz CHQICOPPVDEBBW-UHFFFAOYSA-N -1 0 339.391 3.762 20 0 EHADRM COc1ccc(SCCC(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000362766749 601065561 /nfs/dbraw/zinc/06/55/61/601065561.db2.gz SUWPYCAKNAIGPH-UHFFFAOYSA-N -1 0 345.420 3.823 20 0 EHADRM Cc1oc(-c2cccs2)nc1C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000767201127 601066576 /nfs/dbraw/zinc/06/65/76/601066576.db2.gz CENLSXPNVALVHW-UHFFFAOYSA-N -1 0 342.376 3.970 20 0 EHADRM Cc1c(NC(=O)c2cccc(OCC(=O)[O-])c2)sc2c1CCCC2 ZINC000262092888 601076453 /nfs/dbraw/zinc/07/64/53/601076453.db2.gz IELRQDKTEMSXFI-UHFFFAOYSA-N -1 0 345.420 3.651 20 0 EHADRM CCn1cc(C(=O)O[C@H](C(=O)[O-])c2ccccc2F)c2ccccc21 ZINC000830419977 601076691 /nfs/dbraw/zinc/07/66/91/601076691.db2.gz LYFUBVHXHALRJF-KRWDZBQOSA-N -1 0 341.338 3.783 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)Nc2cc(C)cc(C)c2)c1OC ZINC000831908113 601078562 /nfs/dbraw/zinc/07/85/62/601078562.db2.gz AYVYPJLPBJZJEJ-UHFFFAOYSA-N -1 0 344.367 3.663 20 0 EHADRM C[C@H](C(=O)NCCCCCC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000262014392 601079441 /nfs/dbraw/zinc/07/94/41/601079441.db2.gz VMUALPMQIQVCNS-JTQLQIEISA-N -1 0 332.227 3.858 20 0 EHADRM CSc1ccc(C(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])cc1 ZINC000832774611 601079640 /nfs/dbraw/zinc/07/96/40/601079640.db2.gz SCGYHQDBIFCHJZ-WBVHZDCISA-N -1 0 347.480 3.904 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1ccc(Cl)s1 ZINC000833181091 601085837 /nfs/dbraw/zinc/08/58/37/601085837.db2.gz ZMNNYDNKIWJCBA-VXGBXAGGSA-N -1 0 341.860 3.897 20 0 EHADRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)c1ccc2[nH]ccc2c1 ZINC000833179257 601086830 /nfs/dbraw/zinc/08/68/30/601086830.db2.gz LMLXQFDCGQVBBV-FUHWJXTLSA-N -1 0 340.423 3.664 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000325268954 601091305 /nfs/dbraw/zinc/09/13/05/601091305.db2.gz GXCPXONXCRTAKR-ZIAGYGMSSA-N -1 0 332.444 3.997 20 0 EHADRM C[C@H]1CCCC[C@@H]1CNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000325268953 601091478 /nfs/dbraw/zinc/09/14/78/601091478.db2.gz GXCPXONXCRTAKR-UONOGXRCSA-N -1 0 332.444 3.997 20 0 EHADRM Cc1c(Cl)c(C(=O)[O-])nn1CN1CC[C@H]1c1ccc(Cl)cc1 ZINC000738288824 601092669 /nfs/dbraw/zinc/09/26/69/601092669.db2.gz JMRKCVAMBBSSBC-LBPRGKRZSA-N -1 0 340.210 3.601 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NC[C@@H]2Cc3ccccc32)cc1 ZINC000327119805 601096795 /nfs/dbraw/zinc/09/67/95/601096795.db2.gz DTWTZEZRTPAHSB-AWEZNQCLSA-N -1 0 338.407 3.510 20 0 EHADRM CSc1ccc(C)c(C(=O)O[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000832777656 601097325 /nfs/dbraw/zinc/09/73/25/601097325.db2.gz VZJPEGJUDQEIKG-HNNXBMFYSA-N -1 0 334.368 3.839 20 0 EHADRM Cc1ccccc1OCCCC(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000832979949 601097342 /nfs/dbraw/zinc/09/73/42/601097342.db2.gz ZKVHNVUBSICQBM-GOSISDBHSA-N -1 0 346.354 3.662 20 0 EHADRM Cc1ncsc1C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000833010665 601107572 /nfs/dbraw/zinc/10/75/72/601107572.db2.gz TUQYMNKURNYWGS-SNVBAGLBSA-N -1 0 346.191 3.741 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])s2)[C@H]1c1cccc(F)c1 ZINC000237375643 601107943 /nfs/dbraw/zinc/10/79/43/601107943.db2.gz MEAJRPXVTOJGAZ-MEBBXXQBSA-N -1 0 333.384 3.809 20 0 EHADRM Cc1ccc2c(c1)[nH]cc2C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000832960621 601118052 /nfs/dbraw/zinc/11/80/52/601118052.db2.gz RRXKFUBKFPDUDB-MRXNPFEDSA-N -1 0 327.311 3.598 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)N[C@@](C)(CC)CC(=O)[O-] ZINC000829014089 601133469 /nfs/dbraw/zinc/13/34/69/601133469.db2.gz BGFHINWFNFBBGY-KXBFYZLASA-N -1 0 335.444 3.727 20 0 EHADRM Cc1ccc(NC(=O)N[C@H](C)c2c(F)cccc2F)cc1C(=O)[O-] ZINC000832947084 601137150 /nfs/dbraw/zinc/13/71/50/601137150.db2.gz SZFMGJATTWGZCT-SNVBAGLBSA-N -1 0 334.322 3.854 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(C)c(C(=O)[O-])c2)o1 ZINC000832928820 601139430 /nfs/dbraw/zinc/13/94/30/601139430.db2.gz XBOAZGFDXHBFEY-HNNXBMFYSA-N -1 0 328.368 3.964 20 0 EHADRM Cc1csc(CCCCNC(=O)Nc2ccc(C)c(C(=O)[O-])c2)n1 ZINC000832988995 601140065 /nfs/dbraw/zinc/14/00/65/601140065.db2.gz CSACUDGNCPOJDW-UHFFFAOYSA-N -1 0 347.440 3.603 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H]2CSc3ccccc32)cc1C(=O)[O-] ZINC000832945712 601140803 /nfs/dbraw/zinc/14/08/03/601140803.db2.gz XTRXVSQJWGJHIJ-CQSZACIVSA-N -1 0 328.393 3.662 20 0 EHADRM O=C([O-])CN(C(=O)c1cc2cc(Cl)ccc2o1)c1cccc(F)c1 ZINC000833245397 601143510 /nfs/dbraw/zinc/14/35/10/601143510.db2.gz QQWZOMSYAFXWTQ-UHFFFAOYSA-N -1 0 347.729 3.957 20 0 EHADRM Cc1ccc(NC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1C(=O)[O-] ZINC000832947580 601145340 /nfs/dbraw/zinc/14/53/40/601145340.db2.gz SCQPMPGCHFTWCA-QWRGUYRKSA-N -1 0 344.333 3.936 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccc(F)cc2C(F)(F)F)C1 ZINC000833186442 601154697 /nfs/dbraw/zinc/15/46/97/601154697.db2.gz MFMXOAXYTUAGLP-IUCAKERBSA-N -1 0 333.281 3.674 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N(c2ccccc2F)C2CCCC2)C1 ZINC000833183978 601160168 /nfs/dbraw/zinc/16/01/68/601160168.db2.gz BUQVTLWJELSFGC-KGLIPLIRSA-N -1 0 333.403 3.992 20 0 EHADRM CCOc1cc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])ccc1C ZINC000236894388 601162202 /nfs/dbraw/zinc/16/22/02/601162202.db2.gz UCKYLDXYDVWSTG-KDOFPFPSSA-N -1 0 341.407 3.586 20 0 EHADRM C[C@H](NC(=O)Nc1cc(C(=O)[O-])ccc1F)[C@@H](C)c1ccccc1 ZINC000827665468 601176446 /nfs/dbraw/zinc/17/64/46/601176446.db2.gz RXTFDZACDYJSLT-NEPJUHHUSA-N -1 0 330.359 3.838 20 0 EHADRM Cc1[nH]c(C(=O)CN2CC[C@@H]2c2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC000832844492 601179287 /nfs/dbraw/zinc/17/92/87/601179287.db2.gz RAVOITXKWHCFPL-CQSZACIVSA-N -1 0 346.814 3.613 20 0 EHADRM Cc1ccc(-c2nc(COC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)cs2)o1 ZINC000832907896 601185784 /nfs/dbraw/zinc/18/57/84/601185784.db2.gz BADIFDBGVDNZGT-RYUDHWBXSA-N -1 0 349.408 3.646 20 0 EHADRM CC[C@@H](C)CN(CC)C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000828747242 601189610 /nfs/dbraw/zinc/18/96/10/601189610.db2.gz MHQONPFWUMGHOZ-CQSZACIVSA-N -1 0 347.459 3.885 20 0 EHADRM Cc1oc(-c2cccs2)nc1COC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833024397 601190491 /nfs/dbraw/zinc/19/04/91/601190491.db2.gz CXTPNBSHJYIWOK-RYUDHWBXSA-N -1 0 349.408 3.646 20 0 EHADRM CC(=O)c1c(C)cc(C)c(COC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1C ZINC000825941973 601192521 /nfs/dbraw/zinc/19/25/21/601192521.db2.gz HDLPYPJPDIIQTR-HZPDHXFCSA-N -1 0 346.423 3.749 20 0 EHADRM CSCc1cc(C(=O)Oc2ccccc2CC(=O)[O-])ccc1F ZINC000832766781 601193179 /nfs/dbraw/zinc/19/31/79/601193179.db2.gz NXTDGWFCPPAABY-UHFFFAOYSA-N -1 0 334.368 3.535 20 0 EHADRM CC(C)(NC(=O)c1ccc(NC(=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000826630707 601195092 /nfs/dbraw/zinc/19/50/92/601195092.db2.gz OOYRNUCNRUHCRC-UHFFFAOYSA-N -1 0 334.322 3.720 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1cccc2[nH]ccc21)C(=O)[O-] ZINC000532600127 601198904 /nfs/dbraw/zinc/19/89/04/601198904.db2.gz ORLHOZQNHNIKFP-AWEZNQCLSA-N -1 0 336.391 3.531 20 0 EHADRM O=C([O-])c1cccnc1SCc1ccc(Br)c(F)c1 ZINC000721942519 601208156 /nfs/dbraw/zinc/20/81/56/601208156.db2.gz OCVCUGGHAFVOSA-UHFFFAOYSA-N -1 0 342.189 3.974 20 0 EHADRM CO[C@@H](C)c1nc(CNc2ccc(C(C)(C)C(=O)[O-])cc2)cs1 ZINC000831499958 601223289 /nfs/dbraw/zinc/22/32/89/601223289.db2.gz HLMCJKPIFYTBHW-NSHDSACASA-N -1 0 334.441 3.825 20 0 EHADRM C[C@H](NC(=O)COc1ccccc1NC(=O)[O-])c1ccccc1Cl ZINC000827637317 601228441 /nfs/dbraw/zinc/22/84/41/601228441.db2.gz RUFZWACUBJDWGK-NSHDSACASA-N -1 0 348.786 3.686 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)O[C@H](c2ccccc2)c2cccnc2)C1 ZINC000833184610 601239568 /nfs/dbraw/zinc/23/95/68/601239568.db2.gz AANZXDACJONDRL-JFIYKMOQSA-N -1 0 339.391 3.605 20 0 EHADRM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccnc(C(=O)[O-])c1 ZINC000237028906 601246790 /nfs/dbraw/zinc/24/67/90/601246790.db2.gz UDJWJLOHBGSARY-WMZOPIPTSA-N -1 0 338.407 3.578 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Nc1cccc2cccnc21)c1ccccc1 ZINC000826038221 601247091 /nfs/dbraw/zinc/24/70/91/601247091.db2.gz DFSCJQJQHRUGDT-CXAGYDPISA-N -1 0 349.390 3.818 20 0 EHADRM Cc1nc(-c2cccnc2)nc(Nc2ccc(CNC(=O)[O-])cc2)c1C ZINC000832993316 601252107 /nfs/dbraw/zinc/25/21/07/601252107.db2.gz RRKJUZMUCXCAFU-UHFFFAOYSA-N -1 0 349.394 3.667 20 0 EHADRM O=C([O-])c1ccc(OC(=O)[C@@H]2CC23CCCC3)c(Br)c1 ZINC000833321582 601269540 /nfs/dbraw/zinc/26/95/40/601269540.db2.gz IVCGFEDNQYBVDZ-JTQLQIEISA-N -1 0 339.185 3.633 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000829009273 601276430 /nfs/dbraw/zinc/27/64/30/601276430.db2.gz ANCRTFMWRIPECB-QGZVFWFLSA-N -1 0 327.380 3.514 20 0 EHADRM CC(C)=C(C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000826642284 601278838 /nfs/dbraw/zinc/27/88/38/601278838.db2.gz VJPSFKDPSWOLOC-ZDUSSCGKSA-N -1 0 345.317 3.574 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1ccnc(C(=O)[O-])c1)C1CC1 ZINC000237623313 601279393 /nfs/dbraw/zinc/27/93/93/601279393.db2.gz KRGVTSXMKLGJDG-NSHDSACASA-N -1 0 344.798 3.799 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000236688142 601279888 /nfs/dbraw/zinc/27/98/88/601279888.db2.gz FLAIGXZGLKTBMO-LCYFTJDESA-N -1 0 343.354 3.640 20 0 EHADRM O=C([O-])CCCCNC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000238169456 601281303 /nfs/dbraw/zinc/28/13/03/601281303.db2.gz JDGOWZWTPBOGEN-UHFFFAOYSA-N -1 0 344.238 3.786 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000825798464 601285470 /nfs/dbraw/zinc/28/54/70/601285470.db2.gz KQPKCEOEGYAFSO-ACCUITESSA-N -1 0 342.370 3.978 20 0 EHADRM CCN(C(=O)C/C=C/c1ccc(F)cc1)c1ccccc1C(=O)[O-] ZINC000829591114 601286668 /nfs/dbraw/zinc/28/66/68/601286668.db2.gz NRPJPELSOPWLKW-AATRIKPKSA-N -1 0 327.355 3.980 20 0 EHADRM CC(C)[C@@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1ccccc1Cl ZINC000236704488 601287639 /nfs/dbraw/zinc/28/76/39/601287639.db2.gz ZMNWDCKCVNHKQV-OAHLLOKOSA-N -1 0 332.787 3.560 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ccc(C(=O)[O-])cn1 ZINC000191136866 601292153 /nfs/dbraw/zinc/29/21/53/601292153.db2.gz SRKDVOBAGQNEDM-RYUDHWBXSA-N -1 0 346.814 3.697 20 0 EHADRM Cc1ccc(CCCC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000237498676 601297475 /nfs/dbraw/zinc/29/74/75/601297475.db2.gz XQMSMVSYBXPHHQ-OXJNMPFZSA-N -1 0 339.435 3.896 20 0 EHADRM Cc1ccc(NCC(=O)Nc2cccc(Cl)c2C)cc1C(=O)[O-] ZINC000832952314 601303026 /nfs/dbraw/zinc/30/30/26/601303026.db2.gz XENORVLCQOYMTQ-UHFFFAOYSA-N -1 0 332.787 3.706 20 0 EHADRM CSc1ccc(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000832781596 601309618 /nfs/dbraw/zinc/30/96/18/601309618.db2.gz YCGXRSOZHBPJIT-HNNXBMFYSA-N -1 0 348.399 3.885 20 0 EHADRM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000828149938 601335635 /nfs/dbraw/zinc/33/56/35/601335635.db2.gz OGNDMCGVZFFMKZ-RDTXWAMCSA-N -1 0 338.407 3.724 20 0 EHADRM O=C([O-])CCN(C(=O)C/C=C/c1ccc(F)cc1)c1cccc(F)c1 ZINC000833231173 601350895 /nfs/dbraw/zinc/35/08/95/601350895.db2.gz CJIPCVYTCGSNGU-HNQUOIGGSA-N -1 0 345.345 3.876 20 0 EHADRM CCc1ccc(CC)c(NS(=O)(=O)c2cccc(C)c2C(=O)[O-])c1 ZINC000830245368 601365788 /nfs/dbraw/zinc/36/57/88/601365788.db2.gz VOKUCUHYJXOEPK-UHFFFAOYSA-N -1 0 347.436 3.619 20 0 EHADRM CC[C@@H](NC(=S)Nc1ccccc1CC(=O)[O-])c1cccs1 ZINC000818143676 601367152 /nfs/dbraw/zinc/36/71/52/601367152.db2.gz LLLZRKAGVAETDY-GFCCVEGCSA-N -1 0 334.466 3.813 20 0 EHADRM O=C([O-])c1cccc(OCc2noc(/C=C\c3ccccc3F)n2)c1 ZINC000833333303 601367645 /nfs/dbraw/zinc/36/76/45/601367645.db2.gz TYBZAUFOWCRVNQ-HJWRWDBZSA-N -1 0 340.310 3.656 20 0 EHADRM CO[C@H](C)c1nc(C)c(-c2nc(-c3cccc(C(=O)[O-])c3)no2)s1 ZINC000831494053 601380379 /nfs/dbraw/zinc/38/03/79/601380379.db2.gz UKSXEODQIZHDRB-SECBINFHSA-N -1 0 345.380 3.574 20 0 EHADRM Cc1ccc2oc(C(=O)N[C@@H](c3ccccc3)[C@@H](C)C(=O)[O-])cc2c1 ZINC000237679027 601391820 /nfs/dbraw/zinc/39/18/20/601391820.db2.gz VBKXZUDVWBOFIC-FZKQIMNGSA-N -1 0 337.375 3.933 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000237171836 601394367 /nfs/dbraw/zinc/39/43/67/601394367.db2.gz YVGKPEIWRHCMCI-AWEZNQCLSA-N -1 0 341.407 3.546 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccc(Cl)s1 ZINC000479493955 601400781 /nfs/dbraw/zinc/40/07/81/601400781.db2.gz AWSWBHWCOUQJPR-SSDOTTSWSA-N -1 0 327.764 3.981 20 0 EHADRM O=C([O-])Nc1ccc(CCNc2cc(C(F)(F)F)ccn2)cc1 ZINC000833286159 601410400 /nfs/dbraw/zinc/41/04/00/601410400.db2.gz NVORLCQQGANNFF-UHFFFAOYSA-N -1 0 325.290 3.845 20 0 EHADRM CC[C@@H](C)[C@H](C)NC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000828709712 601413717 /nfs/dbraw/zinc/41/37/17/601413717.db2.gz SQAJLBUXCAUMOS-SUNKGSAMSA-N -1 0 326.824 3.590 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)CC2CCCCCC2)c1OC ZINC000262210814 601413905 /nfs/dbraw/zinc/41/39/05/601413905.db2.gz UAERVERRPIBKGL-UHFFFAOYSA-N -1 0 335.400 3.701 20 0 EHADRM C/C(=C\COC(=O)C[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000825759183 601428151 /nfs/dbraw/zinc/42/81/51/601428151.db2.gz XVWOOOCUEJFKCQ-HUYFXPKMSA-N -1 0 330.302 3.773 20 0 EHADRM O=C([O-])[C@H](CNc1ncc(Cl)cn1)Cc1ccc2ccccc2c1 ZINC000833164777 601434849 /nfs/dbraw/zinc/43/48/49/601434849.db2.gz YZZNHXHGMUXJRW-HNNXBMFYSA-N -1 0 341.798 3.639 20 0 EHADRM Cc1cc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])sc1C(=O)[O-] ZINC000318716079 601441424 /nfs/dbraw/zinc/44/14/24/601441424.db2.gz OVNQDXJMGZYESB-UHFFFAOYSA-N -1 0 340.744 3.569 20 0 EHADRM O=C([O-])c1cc(NC(=O)C/C=C/c2cccc(F)c2)c(F)cc1F ZINC000833096264 601446487 /nfs/dbraw/zinc/44/64/87/601446487.db2.gz JPUQXJABNHTNPB-DUXPYHPUSA-N -1 0 335.281 3.844 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000829014968 601447839 /nfs/dbraw/zinc/44/78/39/601447839.db2.gz WDIODDIITXGBBQ-AWEZNQCLSA-N -1 0 331.343 3.628 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)N(c1ncc(C(=O)[O-])s1)C1CC1 ZINC000825792270 601448569 /nfs/dbraw/zinc/44/85/69/601448569.db2.gz AZTBNMPAOLDDPI-NTMALXAHSA-N -1 0 346.383 3.579 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2c(F)c(F)cc(F)c2F)ccc1Cl ZINC000833301328 601448711 /nfs/dbraw/zinc/44/87/11/601448711.db2.gz XDUPPDMBOKFJAD-UHFFFAOYSA-N -1 0 347.651 3.847 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc(OC3CCC3)c(F)c2)C1 ZINC000180131055 601454251 /nfs/dbraw/zinc/45/42/51/601454251.db2.gz SDTJUTADMXUXGH-NEPJUHHUSA-N -1 0 335.375 3.587 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000767052179 601460494 /nfs/dbraw/zinc/46/04/94/601460494.db2.gz OZIBRRZKUGUYOT-BJOHPYRUSA-N -1 0 332.227 3.857 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000761651841 601465742 /nfs/dbraw/zinc/46/57/42/601465742.db2.gz QKLMHLYAHWWQST-LJQANCHMSA-N -1 0 344.386 3.625 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)[C@@H](SC)c1ccccc1 ZINC000830379080 601466595 /nfs/dbraw/zinc/46/65/95/601466595.db2.gz IVTREDFBGVIPOX-HNNXBMFYSA-N -1 0 334.393 3.688 20 0 EHADRM COc1ccc([C@H](C)CC(=O)O[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000832220839 601474431 /nfs/dbraw/zinc/47/44/31/601474431.db2.gz JEPXTTKTGDXGHE-FZKQIMNGSA-N -1 0 328.364 3.558 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)O[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000832220841 601474493 /nfs/dbraw/zinc/47/44/93/601474493.db2.gz JEPXTTKTGDXGHE-UGSOOPFHSA-N -1 0 328.364 3.558 20 0 EHADRM CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000830157941 601479575 /nfs/dbraw/zinc/47/95/75/601479575.db2.gz OUDVRMLVNOIZDO-KBPBESRZSA-N -1 0 340.420 3.710 20 0 EHADRM CCC(CC)(C(=O)N[C@@H](CC(=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC000828770227 601522243 /nfs/dbraw/zinc/52/22/43/601522243.db2.gz GMXVJEJWSAMWHS-HNNXBMFYSA-N -1 0 337.847 3.767 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc(-c2ccccc2)ccc1Cl)C1CC1 ZINC000776630320 601525691 /nfs/dbraw/zinc/52/56/91/601525691.db2.gz SXVCVVCTVVQMQI-KRWDZBQOSA-N -1 0 343.810 3.990 20 0 EHADRM Cc1ccc2c(Cl)c(C(=O)N[C@H](CC(=O)[O-])C3CC3)sc2c1 ZINC000832961580 601528528 /nfs/dbraw/zinc/52/85/28/601528528.db2.gz GTQXBNMAYKXVLN-LLVKDONJSA-N -1 0 337.828 3.846 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)Nc1ncc(C(=O)[O-])s1 ZINC000830168574 601530136 /nfs/dbraw/zinc/53/01/36/601530136.db2.gz DTCOXPVAWWJXSY-UHFFFAOYSA-N -1 0 342.829 3.859 20 0 EHADRM O=C([O-])NCCCC(=O)N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000833279877 601545281 /nfs/dbraw/zinc/54/52/81/601545281.db2.gz QYPIKMQCAROIGA-UJGDBWEASA-N -1 0 330.428 3.519 20 0 EHADRM Cc1ccccc1-c1cnc(CN2CCc3ccccc3[C@@H]2C(=O)[O-])o1 ZINC000832975741 601547352 /nfs/dbraw/zinc/54/73/52/601547352.db2.gz ZCXCQKZBWDKIDZ-HXUWFJFHSA-N -1 0 348.402 3.834 20 0 EHADRM CC(C)(O)CCOc1c(Cl)cc(Cl)c(Cl)c1C(=O)[O-] ZINC000826636908 601577696 /nfs/dbraw/zinc/57/76/96/601577696.db2.gz UFESPZDVHQORKO-UHFFFAOYSA-N -1 0 327.591 3.885 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccccc1 ZINC000539568122 601582626 /nfs/dbraw/zinc/58/26/26/601582626.db2.gz JQISQUOEORYCBT-YVEFUNNKSA-N -1 0 331.799 3.776 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000676023361 601600111 /nfs/dbraw/zinc/60/01/11/601600111.db2.gz GWBBSFLQAIGKNJ-NSHDSACASA-N -1 0 341.860 3.582 20 0 EHADRM COCc1nc(CNc2cc3ccccc3cc2C(=O)[O-])cs1 ZINC000831826556 601606214 /nfs/dbraw/zinc/60/62/14/601606214.db2.gz GRIOMATVFYHVOV-UHFFFAOYSA-N -1 0 328.393 3.753 20 0 EHADRM C[C@H](CSc1ccc(F)cc1)C(=O)OCc1occc1C(=O)[O-] ZINC000827582167 601609814 /nfs/dbraw/zinc/60/98/14/601609814.db2.gz ZZLJHJDZSJEJTC-SNVBAGLBSA-N -1 0 338.356 3.589 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000238086607 601614657 /nfs/dbraw/zinc/61/46/57/601614657.db2.gz JQOYIPIXVWPUIC-CABCVRRESA-N -1 0 329.783 3.709 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c(F)c1 ZINC000832948013 601615340 /nfs/dbraw/zinc/61/53/40/601615340.db2.gz YXBBAPMFEQXCAF-BLLLJJGKSA-N -1 0 330.359 3.718 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)NC[C@H](C)C(=O)[O-])cc2)cc1 ZINC000832953378 601615994 /nfs/dbraw/zinc/61/59/94/601615994.db2.gz JXGDCQMGGWXRMN-ZDUSSCGKSA-N -1 0 328.368 3.630 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Nc1cccc(F)c1F)c1ccccc1 ZINC000826039317 601621753 /nfs/dbraw/zinc/62/17/53/601621753.db2.gz QTBNGBVLHDPIIW-BMIGLBTASA-N -1 0 334.322 3.548 20 0 EHADRM CC(C)Sc1c(Cl)cccc1NC(=O)NC[C@@H](C)C(=O)[O-] ZINC000653539571 601626063 /nfs/dbraw/zinc/62/60/63/601626063.db2.gz DZWBLMUABFNZBB-SECBINFHSA-N -1 0 330.837 3.683 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000325262328 601627049 /nfs/dbraw/zinc/62/70/49/601627049.db2.gz JVZDHOWDTAQRJY-BBRMVZONSA-N -1 0 330.428 3.845 20 0 EHADRM O=C([O-])c1ccc(CN2CCO[C@@H](c3ccccc3Cl)C2)cc1F ZINC000578552024 601628345 /nfs/dbraw/zinc/62/83/45/601628345.db2.gz YTBQDCIZRWIOKV-QGZVFWFLSA-N -1 0 349.789 3.751 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NCc1ncc(-c2cccs2)o1)c1ccccc1 ZINC000826055413 601654429 /nfs/dbraw/zinc/65/44/29/601654429.db2.gz ZXXRNSUUETVEAM-SJKOYZFVSA-N -1 0 342.420 3.955 20 0 EHADRM CC[C@H](C)c1ccc(C(=O)Nc2cccc(OCC(=O)[O-])c2)cc1 ZINC000828765118 601660912 /nfs/dbraw/zinc/66/09/12/601660912.db2.gz XAUFVQJFPJZKSE-ZDUSSCGKSA-N -1 0 327.380 3.916 20 0 EHADRM CC[C@@H](C)c1ccc(C(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1 ZINC000828764663 601664717 /nfs/dbraw/zinc/66/47/17/601664717.db2.gz KZCREVPRZQRYDD-CYBMUJFWSA-N -1 0 327.380 3.916 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1cnc(Cc2ccccc2)s1 ZINC000833164573 601671572 /nfs/dbraw/zinc/67/15/72/601671572.db2.gz YOCPYKOHRYLWFQ-UHFFFAOYSA-N -1 0 344.417 3.746 20 0 EHADRM CC[C@H](C)c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(OC)cc2)cc1 ZINC000828763854 601675331 /nfs/dbraw/zinc/67/53/31/601675331.db2.gz DSLINXYHFBLSEQ-UGSOOPFHSA-N -1 0 341.407 3.764 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@@H]2CC(C)(C)C)cc(C)c1OCC(=O)[O-] ZINC000237691758 601678818 /nfs/dbraw/zinc/67/88/18/601678818.db2.gz BOYBALWFFUYXRD-MRXNPFEDSA-N -1 0 347.455 3.808 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)CCCc1ccc(F)c(F)c1 ZINC000833268687 601680558 /nfs/dbraw/zinc/68/05/58/601680558.db2.gz DVYYILUOJNLOMB-UHFFFAOYSA-N -1 0 334.318 3.520 20 0 EHADRM CCN(C(=O)NCC(C)(C)C(=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000829596695 601686684 /nfs/dbraw/zinc/68/66/84/601686684.db2.gz APFGYIPODXZMSV-LBPRGKRZSA-N -1 0 332.400 3.636 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000833139358 601692110 /nfs/dbraw/zinc/69/21/10/601692110.db2.gz JUIDYESSOLBDJN-JQWIXIFHSA-N -1 0 344.333 3.875 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2ccccc2OC2CCCC2)CCCC1 ZINC000833134743 601696815 /nfs/dbraw/zinc/69/68/15/601696815.db2.gz BFHJQTPVWFDOGY-UHFFFAOYSA-N -1 0 346.427 3.775 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(N(C)C(=O)[O-])cc1)c1ccc(F)cc1F ZINC000832814076 601701669 /nfs/dbraw/zinc/70/16/69/601701669.db2.gz ZLCHGXQRHDWONI-SNVBAGLBSA-N -1 0 349.337 3.962 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2ccc(F)c(C(F)(F)F)c2)CCCC1 ZINC000325465626 601704180 /nfs/dbraw/zinc/70/41/80/601704180.db2.gz BQKPIOWXOBETIL-UHFFFAOYSA-N -1 0 348.296 3.611 20 0 EHADRM COc1ccc(-c2cc(C(=O)NCC(C)(C)C(=O)[O-])sc2C)cc1 ZINC000262287409 601706612 /nfs/dbraw/zinc/70/66/12/601706612.db2.gz XVUNSVBMPAKMFC-UHFFFAOYSA-N -1 0 347.436 3.573 20 0 EHADRM Cc1ccc(OCCC(=O)OCc2ccc(C(=O)[O-])c(F)c2)cc1C ZINC000832951675 601721150 /nfs/dbraw/zinc/72/11/50/601721150.db2.gz TZTUEJXOLCTCDS-UHFFFAOYSA-N -1 0 346.354 3.653 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)OCc1cc(C(=O)[O-])sc1C ZINC000832590088 601725719 /nfs/dbraw/zinc/72/57/19/601725719.db2.gz YDNYOWZNZPPEGA-UHFFFAOYSA-N -1 0 348.420 3.784 20 0 EHADRM CS[C@@H](C(=O)OCc1cc(C(=O)[O-])sc1C)c1ccccc1 ZINC000832735189 601730442 /nfs/dbraw/zinc/73/04/42/601730442.db2.gz AZZGXILUUCPUCS-CQSZACIVSA-N -1 0 336.434 3.902 20 0 EHADRM CS[C@H](C(=O)OCc1cc(C(=O)[O-])sc1C)c1ccccc1 ZINC000832735188 601730461 /nfs/dbraw/zinc/73/04/61/601730461.db2.gz AZZGXILUUCPUCS-AWEZNQCLSA-N -1 0 336.434 3.902 20 0 EHADRM CCc1ccc(CC)c(NC(=O)NC[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000830244663 601731109 /nfs/dbraw/zinc/73/11/09/601731109.db2.gz FTODQTKEWIOJDO-KRWDZBQOSA-N -1 0 340.423 3.801 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC000825798211 601743869 /nfs/dbraw/zinc/74/38/69/601743869.db2.gz CMIYPPRFXVOOHP-PKNBQFBNSA-N -1 0 348.399 3.732 20 0 EHADRM CCCCOc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000678985725 601745252 /nfs/dbraw/zinc/74/52/52/601745252.db2.gz HSBGGMRQOYDQKM-KRWDZBQOSA-N -1 0 345.370 3.560 20 0 EHADRM O=C([O-])CCCCNC(=O)N(Cc1cccc(F)c1)C1CCCC1 ZINC000666558384 601750055 /nfs/dbraw/zinc/75/00/55/601750055.db2.gz DTBAUKOGWDFEHS-UHFFFAOYSA-N -1 0 336.407 3.535 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(Oc2ccccc2Cl)cc1)C(=O)[O-] ZINC000676218977 601754390 /nfs/dbraw/zinc/75/43/90/601754390.db2.gz VIOFZZWSBXTHQG-CQSZACIVSA-N -1 0 333.771 3.725 20 0 EHADRM O=C([O-])C1CCN(C(=O)Nc2ccccc2CCC(F)(F)F)CC1 ZINC000262971978 601759561 /nfs/dbraw/zinc/75/95/61/601759561.db2.gz APFVHFDTYCXUNC-UHFFFAOYSA-N -1 0 344.333 3.510 20 0 EHADRM Cc1nn(Cc2ccccc2C(F)(F)F)c(C)c1[C@@H](C)C(=O)[O-] ZINC000833020840 601778863 /nfs/dbraw/zinc/77/88/63/601778863.db2.gz ATJQWULLYSQABE-SECBINFHSA-N -1 0 326.318 3.755 20 0 EHADRM Cn1c2ccccc2c(Cl)c1C(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC000833038880 601788928 /nfs/dbraw/zinc/78/89/28/601788928.db2.gz KEUIVQMTUUMVBJ-OAHLLOKOSA-N -1 0 348.830 3.595 20 0 EHADRM COc1cccc([C@H](C)CC(=O)Nc2ccc(F)cc2C(=O)[O-])c1 ZINC000832528403 601801976 /nfs/dbraw/zinc/80/19/76/601801976.db2.gz KGCATXSFHMTDMP-LLVKDONJSA-N -1 0 331.343 3.665 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)Nc2cccc(F)c2C(=O)[O-])c1 ZINC000832529262 601803425 /nfs/dbraw/zinc/80/34/25/601803425.db2.gz XJMLTHZIOMUFDL-NSHDSACASA-N -1 0 331.343 3.665 20 0 EHADRM Cc1ccc(-c2nc(SCc3ccsc3C(=O)[O-])n[nH]2)cc1 ZINC000832907634 601807233 /nfs/dbraw/zinc/80/72/33/601807233.db2.gz DPOQSXVQBKHNKH-UHFFFAOYSA-N -1 0 331.422 3.832 20 0 EHADRM CCc1nc(C)c(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])s1 ZINC000830309576 601808122 /nfs/dbraw/zinc/80/81/22/601808122.db2.gz IMIHQWJQNXOURN-UHFFFAOYSA-N -1 0 336.438 3.903 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2cnccc2-c2cccc(F)c2)C1 ZINC000833188208 601810272 /nfs/dbraw/zinc/81/02/72/601810272.db2.gz WBEHVBKCPMHRST-KGLIPLIRSA-N -1 0 342.370 3.717 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2ccc(-c3ccccc3F)o2)CC1 ZINC000538582952 601813655 /nfs/dbraw/zinc/81/36/55/601813655.db2.gz AYMDKNXHJUESSL-UHFFFAOYSA-N -1 0 345.370 3.803 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2c[nH]c3cc(Cl)ccc23)CC1 ZINC000833224301 601820170 /nfs/dbraw/zinc/82/01/70/601820170.db2.gz YTXITPOEMVDXOC-UHFFFAOYSA-N -1 0 334.803 3.538 20 0 EHADRM C[C@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000321531885 601822868 /nfs/dbraw/zinc/82/28/68/601822868.db2.gz YWNIBAQESOQTJM-LBPRGKRZSA-N -1 0 338.835 3.687 20 0 EHADRM C[C@H](SCc1ccc(C(=O)[O-])s1)C(=O)NCC1CCCCC1 ZINC000827909274 601847195 /nfs/dbraw/zinc/84/71/95/601847195.db2.gz WHTZKUUPMFTCHF-NSHDSACASA-N -1 0 341.498 3.765 20 0 EHADRM C[C@H](NC(=O)NCc1cccc(C(=O)[O-])c1)c1ccc(Cl)s1 ZINC000315014941 601849691 /nfs/dbraw/zinc/84/96/91/601849691.db2.gz SSPGHESZKDBQCG-VIFPVBQESA-N -1 0 338.816 3.660 20 0 EHADRM C[C@@H](SCc1cc(Br)cc2cccnc21)C(=O)[O-] ZINC000827907982 601862087 /nfs/dbraw/zinc/86/20/87/601862087.db2.gz DWNCBQYBTUFTGE-MRVPVSSYSA-N -1 0 326.215 3.704 20 0 EHADRM Cc1cc(F)c(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1F ZINC000181868465 601864788 /nfs/dbraw/zinc/86/47/88/601864788.db2.gz RMZIVFXWJXCJHH-UHFFFAOYSA-N -1 0 325.698 3.877 20 0 EHADRM CCOc1ccc(NC(=O)[C@H](NC(=O)[O-])c2ccccc2)cc1Cl ZINC000739502794 601866348 /nfs/dbraw/zinc/86/63/48/601866348.db2.gz YSPCLXWCIIGMAR-OAHLLOKOSA-N -1 0 348.786 3.686 20 0 EHADRM O=C([O-])CN(C(=O)c1cccc(Nc2ccccc2)c1)C1CCCC1 ZINC000833245907 601874140 /nfs/dbraw/zinc/87/41/40/601874140.db2.gz ZGWXDANMJWJLIY-UHFFFAOYSA-N -1 0 338.407 3.900 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC000827585834 601876528 /nfs/dbraw/zinc/87/65/28/601876528.db2.gz AWAPREXSNFYIQU-GFCCVEGCSA-N -1 0 348.395 3.787 20 0 EHADRM COc1ccc([C@@H](C)C(=O)Oc2ccc(SCC(=O)[O-])cc2)cc1 ZINC000832221232 601876834 /nfs/dbraw/zinc/87/68/34/601876834.db2.gz WLQDXMDKUVNKND-GFCCVEGCSA-N -1 0 346.404 3.581 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)/C=C/c2ccccc2F)cc1 ZINC000833262078 601876908 /nfs/dbraw/zinc/87/69/08/601876908.db2.gz AVQURZLTAXYMOB-BJMVGYQFSA-N -1 0 332.352 3.621 20 0 EHADRM CSc1ccccc1C(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC000832790814 601878490 /nfs/dbraw/zinc/87/84/90/601878490.db2.gz VRJUXWQMLNXWGL-UHFFFAOYSA-N -1 0 334.418 3.804 20 0 EHADRM Cc1cccc([C@@H](C)C(=O)Oc2ccc(SCC(=O)[O-])cc2)c1 ZINC000832966535 601880272 /nfs/dbraw/zinc/88/02/72/601880272.db2.gz QHSZRERLDDDRFJ-CYBMUJFWSA-N -1 0 330.405 3.881 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CNc1ccc(C(=O)[O-])cc1 ZINC000827934925 601904158 /nfs/dbraw/zinc/90/41/58/601904158.db2.gz LDYOXFQZZGTZQU-LBPRGKRZSA-N -1 0 346.814 3.670 20 0 EHADRM O=C([O-])NC1CCC(C(=O)N[C@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000740554345 601905526 /nfs/dbraw/zinc/90/55/26/601905526.db2.gz VVUFYLTVDCAAOF-FOIPXRHGSA-N -1 0 344.455 3.655 20 0 EHADRM CC(=O)CCCCOC(=O)c1ccc(-c2ccc(C(=O)[O-])cc2)cc1 ZINC000825813065 601913145 /nfs/dbraw/zinc/91/31/45/601913145.db2.gz CNTBIINNURNJEM-UHFFFAOYSA-N -1 0 340.375 3.968 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)C1CCC(NC(=O)[O-])CC1 ZINC000738897254 601916711 /nfs/dbraw/zinc/91/67/11/601916711.db2.gz SGCSISSEMPGCPO-UQPPLGOBSA-N -1 0 346.471 3.685 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2cc3ccccc3c(Cl)n2)c1 ZINC000392540411 601923217 /nfs/dbraw/zinc/92/32/17/601923217.db2.gz IVAVLERGONLERQ-UHFFFAOYSA-N -1 0 340.766 3.516 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)C(F)=C2CCCC2)cc1 ZINC000832777640 601940782 /nfs/dbraw/zinc/94/07/82/601940782.db2.gz VLQTUPFIAGTGOW-AWEZNQCLSA-N -1 0 337.416 3.838 20 0 EHADRM CN(Cc1csc(Br)c1)Cc1ccc(C(=O)[O-])s1 ZINC000109601906 601944015 /nfs/dbraw/zinc/94/40/15/601944015.db2.gz SRIKIQNXQOUPMT-UHFFFAOYSA-N -1 0 346.271 3.902 20 0 EHADRM Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c(Cl)cc1F ZINC000192960498 601954081 /nfs/dbraw/zinc/95/40/81/601954081.db2.gz ZHWSZEHEUSNACZ-GFCCVEGCSA-N -1 0 333.746 3.616 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cc(C)c(F)cc2Cl)c1 ZINC000832178260 601955708 /nfs/dbraw/zinc/95/57/08/601955708.db2.gz DMLDNNMNQQNBDI-UHFFFAOYSA-N -1 0 337.734 3.747 20 0 EHADRM CN(C)C(=O)Sc1ccc(CNc2cccc(CC(=O)[O-])c2)cc1 ZINC000818373783 601966565 /nfs/dbraw/zinc/96/65/65/601966565.db2.gz ALDBDDQXPUXFJQ-UHFFFAOYSA-N -1 0 344.436 3.700 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000325714229 601982638 /nfs/dbraw/zinc/98/26/38/601982638.db2.gz MAYZJMGJXYRFQO-UHFFFAOYSA-N -1 0 338.285 3.977 20 0 EHADRM Cc1cc(C(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)c(Cl)cc1F ZINC000832867662 601985159 /nfs/dbraw/zinc/98/51/59/601985159.db2.gz AWTNZTISTUUVGM-MRVPVSSYSA-N -1 0 326.707 3.997 20 0 EHADRM COc1cccc2c1CC[C@H]2NC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000832578570 601989606 /nfs/dbraw/zinc/98/96/06/601989606.db2.gz YODIIQGKIPABNF-OAHLLOKOSA-N -1 0 341.367 3.594 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000740042698 601991487 /nfs/dbraw/zinc/99/14/87/601991487.db2.gz YZABAIFGVULDSA-UHFFFAOYSA-N -1 0 325.324 3.787 20 0 EHADRM O=C([O-])c1ccc(COC(=O)COc2ccc3ccccc3c2)s1 ZINC000833115292 601997072 /nfs/dbraw/zinc/99/70/72/601997072.db2.gz JVBJZASVGOELAS-UHFFFAOYSA-N -1 0 342.372 3.722 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cn1 ZINC000740712552 601997298 /nfs/dbraw/zinc/99/72/98/601997298.db2.gz WDRFQEGWEUTATF-UHFFFAOYSA-N -1 0 326.139 3.731 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cccc(Cl)c2Cl)cn1 ZINC000740712120 601997326 /nfs/dbraw/zinc/99/73/26/601997326.db2.gz SUCTXNSZPRPLJH-UHFFFAOYSA-N -1 0 326.139 3.731 20 0 EHADRM CCC(C)(C)CC(=O)N(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000828603482 601998301 /nfs/dbraw/zinc/99/83/01/601998301.db2.gz JYTDYUTUYLZYLM-AWEZNQCLSA-N -1 0 331.334 3.514 20 0 EHADRM COc1ccc([C@@H](NC(=O)c2ccc(C(C)(C)C)s2)C(=O)[O-])cc1 ZINC000832245632 602001010 /nfs/dbraw/zinc/00/10/10/602001010.db2.gz NFTSIDQBOAFDDF-OAHLLOKOSA-N -1 0 347.436 3.610 20 0 EHADRM C[C@H](CC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC000237543415 602004118 /nfs/dbraw/zinc/00/41/18/602004118.db2.gz HKVAHENTOCVWRS-BZNIZROVSA-N -1 0 343.345 3.522 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2[nH]c3ccccc3c2Cl)s1 ZINC000833315778 602004734 /nfs/dbraw/zinc/00/47/34/602004734.db2.gz DSKQTMXEAQWDBO-UHFFFAOYSA-N -1 0 335.768 3.938 20 0 EHADRM C[C@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccccc3)cc2C(=O)[O-])O1 ZINC000828207801 602005027 /nfs/dbraw/zinc/00/50/27/602005027.db2.gz RHFADDZAPOVSJZ-YVEFUNNKSA-N -1 0 341.363 3.683 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)Nc2ccc(CCC(F)(F)F)cc2)C1 ZINC000263075147 602020671 /nfs/dbraw/zinc/02/06/71/602020671.db2.gz QJYACINAYGHWIS-OAHLLOKOSA-N -1 0 344.333 3.510 20 0 EHADRM C[C@]1(C(=O)NCCCCCCCC(=O)[O-])CCc2ccccc2C1 ZINC000827966229 602021231 /nfs/dbraw/zinc/02/12/31/602021231.db2.gz NOQKQVXDPUWRDW-FQEVSTJZSA-N -1 0 331.456 3.723 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)C[C@@H]1C ZINC000828384847 602021512 /nfs/dbraw/zinc/02/15/12/602021512.db2.gz CYHDSHGTDMFTLN-IUCAKERBSA-N -1 0 330.306 3.523 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)Nc2ccccc2CCC(F)(F)F)C1 ZINC000262987364 602021629 /nfs/dbraw/zinc/02/16/29/602021629.db2.gz CZPIKZYMKAGQQS-HNNXBMFYSA-N -1 0 344.333 3.510 20 0 EHADRM CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2cccc(NC(=O)[O-])c2)C1 ZINC000830148828 602033352 /nfs/dbraw/zinc/03/33/52/602033352.db2.gz AFGXUUOCMMDKEV-KGLIPLIRSA-N -1 0 337.445 3.914 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000236582808 602034243 /nfs/dbraw/zinc/03/42/43/602034243.db2.gz GLKULGIUPHLJQZ-UHFFFAOYSA-N -1 0 346.814 3.775 20 0 EHADRM COc1cc(C)ccc1NC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000831967108 602034610 /nfs/dbraw/zinc/03/46/10/602034610.db2.gz NPNZEZQNWJNMEQ-UONOGXRCSA-N -1 0 334.416 3.549 20 0 EHADRM CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)C1 ZINC000830150497 602039048 /nfs/dbraw/zinc/03/90/48/602039048.db2.gz PTKNETYLCGZMCT-KGLIPLIRSA-N -1 0 336.457 3.831 20 0 EHADRM C[C@H]1C[C@@H]1C(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC000828192373 602062552 /nfs/dbraw/zinc/06/25/52/602062552.db2.gz ODBUKRSMPHYAPG-WFASDCNBSA-N -1 0 325.364 3.558 20 0 EHADRM C[C@@H]1CCc2c(C(=O)Nc3cccc(CC(=O)[O-])c3)csc2C1 ZINC000261660999 602067130 /nfs/dbraw/zinc/06/71/30/602067130.db2.gz GEJLFPDKJFDPFZ-LLVKDONJSA-N -1 0 329.421 3.752 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Cc2cc(Cl)ccc2Cl)c1 ZINC000676210850 602068375 /nfs/dbraw/zinc/06/83/75/602068375.db2.gz BFSSSGWDBWTHTE-UHFFFAOYSA-N -1 0 338.190 3.802 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)N[C@H]1CCc2ccc(F)cc21 ZINC000833225416 602069337 /nfs/dbraw/zinc/06/93/37/602069337.db2.gz UCVOKZILDNVKAN-INIZCTEOSA-N -1 0 336.407 3.537 20 0 EHADRM CCOc1ccc(Oc2ccccc2NC(=O)[C@H](C)CC(=O)[O-])cc1 ZINC000830089084 602070067 /nfs/dbraw/zinc/07/00/67/602070067.db2.gz ZXSVBTVQLAVHKV-CYBMUJFWSA-N -1 0 343.379 3.927 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)CCC(=O)c2ccc(Cl)cc2)c1 ZINC000533195127 602070405 /nfs/dbraw/zinc/07/04/05/602070405.db2.gz BYGPFJHXYIUHNA-UHFFFAOYSA-N -1 0 345.782 3.569 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2cccc(CC(=O)[O-])c2)o1 ZINC000325677172 602074213 /nfs/dbraw/zinc/07/42/13/602074213.db2.gz HGPJUCBKPZMEKP-WBMJQRKESA-N -1 0 327.380 3.601 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c1 ZINC000238128585 602078337 /nfs/dbraw/zinc/07/83/37/602078337.db2.gz HGUMCYVZRPEKCU-UHFFFAOYSA-N -1 0 328.755 3.701 20 0 EHADRM O=C([O-])NCC(=O)N[C@H](CCCCc1ccccc1)c1ccccc1 ZINC000286661602 602079989 /nfs/dbraw/zinc/07/99/89/602079989.db2.gz DHRQVRGZFXYVOP-GOSISDBHSA-N -1 0 340.423 3.525 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Nc2ccccc2N2CCCC2)c1 ZINC000570382584 602086694 /nfs/dbraw/zinc/08/66/94/602086694.db2.gz SAJGNXALGSXKIV-UHFFFAOYSA-N -1 0 339.395 3.558 20 0 EHADRM CCO[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(C(=O)[O-])c2C)C12CCC2 ZINC000829918850 602093486 /nfs/dbraw/zinc/09/34/86/602093486.db2.gz UTGDLGXSENLQRZ-JKSUJKDBSA-N -1 0 346.427 3.505 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000833224664 602095655 /nfs/dbraw/zinc/09/56/55/602095655.db2.gz NBISFIUYUQSRQM-LJQANCHMSA-N -1 0 336.476 3.944 20 0 EHADRM CC(C)N(C)c1cccc(NC(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000557176403 602102626 /nfs/dbraw/zinc/10/26/26/602102626.db2.gz RYKTVDXZNLREFZ-UHFFFAOYSA-N -1 0 341.411 3.802 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])s2)c(Br)s1 ZINC000832864871 602105001 /nfs/dbraw/zinc/10/50/01/602105001.db2.gz DWGBPVJMSHOVAC-UHFFFAOYSA-N -1 0 346.227 3.831 20 0 EHADRM Cc1cccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)c1F ZINC000832962926 602107013 /nfs/dbraw/zinc/10/70/13/602107013.db2.gz GOIULNOOUJNALC-UHFFFAOYSA-N -1 0 342.370 3.685 20 0 EHADRM CC[C@H](C)N1C(=O)N[C@@H](c2cnc(C3CCC3)s2)C(C(=O)[O-])=C1C ZINC000828753404 602110545 /nfs/dbraw/zinc/11/05/45/602110545.db2.gz MYEQOZWCUVSRCZ-XPTSAGLGSA-N -1 0 349.456 3.634 20 0 EHADRM Cc1cccc(Oc2ncccc2NC(=O)[C@@H](C)CC(=O)[O-])c1C ZINC000832973610 602113144 /nfs/dbraw/zinc/11/31/44/602113144.db2.gz BMVNZIUDGKSIII-LBPRGKRZSA-N -1 0 328.368 3.540 20 0 EHADRM O=C([O-])c1cc(Br)ccc1OCc1cccc(Cl)n1 ZINC000833296279 602125900 /nfs/dbraw/zinc/12/59/00/602125900.db2.gz ZOGXLMNAJQJSQT-UHFFFAOYSA-N -1 0 342.576 3.775 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1 ZINC000827274302 602129634 /nfs/dbraw/zinc/12/96/34/602129634.db2.gz WZIMRODCAHQOBC-CXAGYDPISA-N -1 0 345.826 3.851 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2ccccc2O)cc(C(F)(F)F)c1 ZINC000833283828 602143576 /nfs/dbraw/zinc/14/35/76/602143576.db2.gz MXUMXJKPRDVDRZ-UHFFFAOYSA-N -1 0 340.257 3.753 20 0 EHADRM Cc1ccc([C@H](CNC(=O)c2ccc3sccc3c2)C(=O)[O-])cc1 ZINC000538471333 602149315 /nfs/dbraw/zinc/14/93/15/602149315.db2.gz MVLBGDJLTLFPTH-INIZCTEOSA-N -1 0 339.416 3.808 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000827873934 602152418 /nfs/dbraw/zinc/15/24/18/602152418.db2.gz SRUDUMGLCVWBDM-LSDHHAIUSA-N -1 0 345.439 3.719 20 0 EHADRM Cc1nc(CC(C)C)sc1C(=O)Nc1ccccc1NC(=O)[O-] ZINC000740221502 602173310 /nfs/dbraw/zinc/17/33/10/602173310.db2.gz GYZVPGYMPIJDQM-UHFFFAOYSA-N -1 0 333.413 3.992 20 0 EHADRM O=C([O-])c1csc(NC(=O)Cn2ccc3ccc(Cl)cc32)c1 ZINC000191341103 602178565 /nfs/dbraw/zinc/17/85/65/602178565.db2.gz MUYKTJSYTHGZLO-UHFFFAOYSA-N -1 0 334.784 3.693 20 0 EHADRM Cc1cc(C)c(OCC(=O)Nc2ccccc2NC(=O)[O-])c(C)c1 ZINC000740062659 602178732 /nfs/dbraw/zinc/17/87/32/602178732.db2.gz DSAMGBIXVSWMIC-UHFFFAOYSA-N -1 0 328.368 3.719 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2ccc(-n3cccc3)c(F)c2)c1 ZINC000191382929 602181485 /nfs/dbraw/zinc/18/14/85/602181485.db2.gz NMULZWNGSPDXRM-UHFFFAOYSA-N -1 0 330.340 3.628 20 0 EHADRM Cc1ccc2c(CC(=O)Nc3cc(C(=O)[O-])cs3)coc2c1C ZINC000576264349 602182837 /nfs/dbraw/zinc/18/28/37/602182837.db2.gz NAXNUYBZYWBMJH-UHFFFAOYSA-N -1 0 329.377 3.991 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC000832958553 602183379 /nfs/dbraw/zinc/18/33/79/602183379.db2.gz KTHDYPCJIQDEEJ-UHFFFAOYSA-N -1 0 348.362 3.612 20 0 EHADRM C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000828528473 602198451 /nfs/dbraw/zinc/19/84/51/602198451.db2.gz UYGIHOIRRSYGIJ-SNVBAGLBSA-N -1 0 346.333 3.814 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000192847223 602199241 /nfs/dbraw/zinc/19/92/41/602199241.db2.gz ZTPKHGBUHDODOG-OAHLLOKOSA-N -1 0 335.762 3.733 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000740674489 602199464 /nfs/dbraw/zinc/19/94/64/602199464.db2.gz RMUUFBNFFLSUFU-NEPJUHHUSA-N -1 0 344.333 3.761 20 0 EHADRM CC[C@@]1(C)CCN(C(=O)Nc2cccc(CSCC(=O)[O-])c2)C1 ZINC000829050166 602206875 /nfs/dbraw/zinc/20/68/75/602206875.db2.gz MYBYUHCYSCMNTI-KRWDZBQOSA-N -1 0 336.457 3.658 20 0 EHADRM CC[C@H](C)[C@@H](C)NC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000828710099 602227862 /nfs/dbraw/zinc/22/78/62/602227862.db2.gz VWKWXLQLJMDRSW-QWHCGFSZSA-N -1 0 344.411 3.859 20 0 EHADRM C[C@@H]1CC[C@@H](C)N1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000828213592 602228813 /nfs/dbraw/zinc/22/88/13/602228813.db2.gz AQJNNAZJCNOQSS-CHWSQXEVSA-N -1 0 342.395 3.708 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)c3c(F)cccc3Cl)ccc21 ZINC000740470195 602243143 /nfs/dbraw/zinc/24/31/43/602243143.db2.gz LCRFZNBQWQDLCR-UHFFFAOYSA-N -1 0 334.734 3.772 20 0 EHADRM C[C@@H](NC(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)C(=O)[O-] ZINC000237485005 602245983 /nfs/dbraw/zinc/24/59/83/602245983.db2.gz ZZPZNCLSUVLWPR-TTZKWOQHSA-N -1 0 335.812 3.671 20 0 EHADRM CN(CCCC(=O)Nc1ccccc1SC(F)(F)F)C(=O)[O-] ZINC000737431149 602249895 /nfs/dbraw/zinc/24/98/95/602249895.db2.gz PLYQTDMAFVYCAZ-UHFFFAOYSA-N -1 0 336.335 3.627 20 0 EHADRM CCCCC[C@@H](NC(=O)C1CCN(C(=O)[O-])CC1)c1ccccc1 ZINC000737811525 602252088 /nfs/dbraw/zinc/25/20/88/602252088.db2.gz ONYPTBBXARPTIV-QGZVFWFLSA-N -1 0 332.444 3.814 20 0 EHADRM Cc1ccc2cc(C(=O)Nc3ccc4c(c3)CCN4C(=O)[O-])[nH]c2c1 ZINC000740156790 602252433 /nfs/dbraw/zinc/25/24/33/602252433.db2.gz ZZGAXTJLHLROBC-UHFFFAOYSA-N -1 0 335.363 3.769 20 0 EHADRM CCCCC[C@H](NC(=O)N1CCC(NC(=O)[O-])CC1)c1ccccc1 ZINC000739329290 602260848 /nfs/dbraw/zinc/26/08/48/602260848.db2.gz HSKMUQULNPRAHD-KRWDZBQOSA-N -1 0 347.459 3.750 20 0 EHADRM C[C@H](C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12)c1ccco1 ZINC000826020434 602262304 /nfs/dbraw/zinc/26/23/04/602262304.db2.gz DTKUTBRDVRKNFL-LBPRGKRZSA-N -1 0 339.347 3.638 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)c1 ZINC000833341934 602284796 /nfs/dbraw/zinc/28/47/96/602284796.db2.gz AJAKKWBROMZZBX-UHFFFAOYSA-N -1 0 347.783 3.742 20 0 EHADRM CN(Cc1cccc(NC(=O)C(C)(C)c2ccc(F)cc2)c1)C(=O)[O-] ZINC000739707364 602292489 /nfs/dbraw/zinc/29/24/89/602292489.db2.gz OYVJNQWADVYESM-UHFFFAOYSA-N -1 0 344.386 3.852 20 0 EHADRM Cc1ccc(C(C)(C)C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])cc1 ZINC000740111965 602294897 /nfs/dbraw/zinc/29/48/97/602294897.db2.gz XTHSROUIXKXYLT-UHFFFAOYSA-N -1 0 338.407 3.952 20 0 EHADRM CCc1ccc2c(CNc3ccc(C(=O)[O-])c(F)c3)cc(=O)oc2c1 ZINC000830259673 602303390 /nfs/dbraw/zinc/30/33/90/602303390.db2.gz BTZNGFHSRJQQTF-UHFFFAOYSA-N -1 0 341.338 3.805 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)C[C@@H]2CC[C@H](C)C2)cc1 ZINC000832777566 602311757 /nfs/dbraw/zinc/31/17/57/602311757.db2.gz SFGHBUYQOLUIGM-ZENOOKHLSA-N -1 0 335.469 3.867 20 0 EHADRM COc1ccc(-c2nc(CN(CC(=O)[O-])C3CCCC3)cs2)cc1 ZINC000582312966 602333833 /nfs/dbraw/zinc/33/38/33/602333833.db2.gz RSGNTAOBGCNGST-UHFFFAOYSA-N -1 0 346.452 3.648 20 0 EHADRM CC(C)c1cccc(C(C)C)c1NC(=S)NCCCNC(=O)[O-] ZINC000738874808 602335343 /nfs/dbraw/zinc/33/53/43/602335343.db2.gz BSMQVIYYKFHEHX-UHFFFAOYSA-N -1 0 337.489 3.878 20 0 EHADRM C[C@@H](NC(=O)C1(NC(=O)[O-])CCCC1)c1ccc2ccccc2c1 ZINC000738950461 602341538 /nfs/dbraw/zinc/34/15/38/602341538.db2.gz DMOQUSDSSJDAES-CYBMUJFWSA-N -1 0 326.396 3.597 20 0 EHADRM C[C@H](NC(=O)[C@@H](NC(=O)[O-])c1ccccc1)c1ccc(Cl)cc1 ZINC000739018772 602341881 /nfs/dbraw/zinc/34/18/81/602341881.db2.gz SWNUHQFFXZPWOG-NHYWBVRUSA-N -1 0 332.787 3.526 20 0 EHADRM CN(C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)C(C)(C)C(=O)[O-] ZINC000830463737 602351450 /nfs/dbraw/zinc/35/14/50/602351450.db2.gz BIOATWGEZINSEJ-FLIBITNWSA-N -1 0 349.736 3.607 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cnc(-c3ccccc3)s2)cc1F ZINC000767199550 602359293 /nfs/dbraw/zinc/35/92/93/602359293.db2.gz IMJVFOJBPGVOFF-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM CC(C)c1ccc([C@@H](CNC(=O)Cc2cccs2)NC(=O)[O-])cc1 ZINC000738877084 602361195 /nfs/dbraw/zinc/36/11/95/602361195.db2.gz LSRHVQLLSORKHK-MRXNPFEDSA-N -1 0 346.452 3.539 20 0 EHADRM Cc1ccc(Cl)c(NC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c1 ZINC000323016744 602367662 /nfs/dbraw/zinc/36/76/62/602367662.db2.gz HOLCNTBEPRFYLD-AWEZNQCLSA-N -1 0 332.787 3.986 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccc(F)cc1 ZINC000826585983 602376787 /nfs/dbraw/zinc/37/67/87/602376787.db2.gz VCWZQVRFXZOEKU-UHFFFAOYSA-N -1 0 348.349 3.762 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000827949309 602377289 /nfs/dbraw/zinc/37/72/89/602377289.db2.gz KBVZKXJUKYJARK-SNVBAGLBSA-N -1 0 335.791 3.602 20 0 EHADRM CCN(Cc1ccc(C)cc1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000829718098 602377385 /nfs/dbraw/zinc/37/73/85/602377385.db2.gz BYTXBZWFWZVFCM-UHFFFAOYSA-N -1 0 330.359 3.886 20 0 EHADRM C[C@H](NC(=O)[C@H](NC(=O)[O-])c1ccccc1)c1ccc(Cl)s1 ZINC000739022435 602388331 /nfs/dbraw/zinc/38/83/31/602388331.db2.gz WBICSOIVENYBFJ-TVQRCGJNSA-N -1 0 338.816 3.588 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Nc2ccc(F)cc2NC2CC2)cc1 ZINC000833102588 602388915 /nfs/dbraw/zinc/38/89/15/602388915.db2.gz RXVBHMFZCFQSIN-UHFFFAOYSA-N -1 0 342.370 3.670 20 0 EHADRM C[C@H](NC(=O)[O-])C1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000739011131 602404744 /nfs/dbraw/zinc/40/47/44/602404744.db2.gz VXDYFLWTQDUECU-VIFPVBQESA-N -1 0 345.226 3.502 20 0 EHADRM O=C([O-])N1CCC(c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000738638901 602405409 /nfs/dbraw/zinc/40/54/09/602405409.db2.gz CLKWWQADDFAJHW-UHFFFAOYSA-N -1 0 341.289 3.613 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc([C@H](C)Oc2ccc(F)cc2)n1 ZINC000738815530 602406796 /nfs/dbraw/zinc/40/67/96/602406796.db2.gz HGJTVLACDRQRSB-GXFFZTMASA-N -1 0 337.351 3.704 20 0 EHADRM O=C([O-])NCc1ccc(-c2nc(Cc3ccccc3Cl)no2)cc1 ZINC000740670351 602406848 /nfs/dbraw/zinc/40/68/48/602406848.db2.gz DSYDEINJKMIRDV-UHFFFAOYSA-N -1 0 343.770 3.748 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(-c2cc3c(cccc3F)[nH]2)n1 ZINC000738814119 602409440 /nfs/dbraw/zinc/40/94/40/602409440.db2.gz ABNBIJIJGUJGRY-LBPRGKRZSA-N -1 0 332.335 3.712 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(-c2csc(-c3ccoc3)n2)n1 ZINC000738816544 602409637 /nfs/dbraw/zinc/40/96/37/602409637.db2.gz MCNVBKOPSJJOTJ-JTQLQIEISA-N -1 0 348.384 3.808 20 0 EHADRM COc1ccc(-c2nc([C@@H](CC(C)C)NC(=O)[O-])no2)c(Cl)c1 ZINC000739877789 602410555 /nfs/dbraw/zinc/41/05/55/602410555.db2.gz BLYUMLPHYLEOFS-GFCCVEGCSA-N -1 0 339.779 3.753 20 0 EHADRM CC(C)N(Cc1ccco1)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000738854451 602412222 /nfs/dbraw/zinc/41/22/22/602412222.db2.gz ZFYBVOOWRDVSMQ-UHFFFAOYSA-N -1 0 343.383 3.763 20 0 EHADRM C/C(=C\c1nc(C2(NC(=O)[O-])CCCC2)no1)c1ccc(F)cc1 ZINC000738504873 602413525 /nfs/dbraw/zinc/41/35/25/602413525.db2.gz MMDTWEWCVNSGEQ-ZHACJKMWSA-N -1 0 331.347 3.806 20 0 EHADRM C[C@H](NC(=O)[O-])c1nc(-c2ccc(COc3ccccc3)cc2)no1 ZINC000739018096 602414987 /nfs/dbraw/zinc/41/49/87/602414987.db2.gz KZHHSNMCDQDSPQ-LBPRGKRZSA-N -1 0 339.351 3.644 20 0 EHADRM O=C([O-])NC1(c2noc(Cc3c(Cl)cccc3Cl)n2)CCC1 ZINC000740548497 602416296 /nfs/dbraw/zinc/41/62/96/602416296.db2.gz GFSKEZXMBCQROC-UHFFFAOYSA-N -1 0 342.182 3.614 20 0 EHADRM O=C([O-])NC1(c2noc(-c3csc(-c4cccs4)n3)n2)CCC1 ZINC000740549251 602418954 /nfs/dbraw/zinc/41/89/54/602418954.db2.gz QKXAOPGHDPKFKS-UHFFFAOYSA-N -1 0 348.409 3.568 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=S)NC3CCCCC3)ccc21 ZINC000740523072 602431860 /nfs/dbraw/zinc/43/18/60/602431860.db2.gz DHBYSKBLPGGOHK-UHFFFAOYSA-N -1 0 333.457 3.736 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)c2cccc(C(F)F)c2)c1 ZINC000739918883 602432214 /nfs/dbraw/zinc/43/22/14/602432214.db2.gz YJXZGQHQSJBBDS-UHFFFAOYSA-N -1 0 336.294 3.975 20 0 EHADRM CCN(Cc1ccccc1NC(=O)CCCc1ccccn1)C(=O)[O-] ZINC000739446418 602449188 /nfs/dbraw/zinc/44/91/88/602449188.db2.gz YNPYYLDVZYFSHS-UHFFFAOYSA-N -1 0 341.411 3.543 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)Nc1cnc2ccccc2c1)c1ccccc1 ZINC000740540367 602457236 /nfs/dbraw/zinc/45/72/36/602457236.db2.gz PEFVIIVGROIJSH-SFHVURJKSA-N -1 0 349.390 3.962 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)o1 ZINC000740111964 602459207 /nfs/dbraw/zinc/45/92/07/602459207.db2.gz BOFCCKDFOTYZKJ-DZGCQCFKSA-N -1 0 330.384 3.554 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)NC1(c2ccccc2)CC1)c1ccccc1 ZINC000740540665 602471361 /nfs/dbraw/zinc/47/13/61/602471361.db2.gz WTUREIBHJXRJSY-QGZVFWFLSA-N -1 0 338.407 3.581 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N[C@@H](c2ccccc2)C2CC2)ccc1F ZINC000740694905 602482757 /nfs/dbraw/zinc/48/27/57/602482757.db2.gz CLOAQCAEFDXMQD-INIZCTEOSA-N -1 0 328.343 3.797 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N[C@@H](c2cccs2)C2CC2)ccc1F ZINC000740696165 602483041 /nfs/dbraw/zinc/48/30/41/602483041.db2.gz OXMDYBXWUJLKES-CQSZACIVSA-N -1 0 334.372 3.858 20 0 EHADRM CC(C)Oc1cccc(CNC(=O)c2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000738867569 602485245 /nfs/dbraw/zinc/48/52/45/602485245.db2.gz ZYHAHSREDPZQEU-UHFFFAOYSA-N -1 0 346.358 3.633 20 0 EHADRM CCOc1cc(F)ccc1NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739495453 602485534 /nfs/dbraw/zinc/48/55/34/602485534.db2.gz WZTZFEANZJYTJA-UHFFFAOYSA-N -1 0 336.294 3.706 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000740143394 602499318 /nfs/dbraw/zinc/49/93/18/602499318.db2.gz FBGIUGZGONXTMB-UHFFFAOYSA-N -1 0 328.368 3.883 20 0 EHADRM COc1ccc(Cl)cc1CC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739908675 602500626 /nfs/dbraw/zinc/50/06/26/602500626.db2.gz WVZLUATZKUKHBK-UHFFFAOYSA-N -1 0 334.759 3.620 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)cc1 ZINC000740706880 602500709 /nfs/dbraw/zinc/50/07/09/602500709.db2.gz CAMKLBZSCBABNT-NSHDSACASA-N -1 0 346.770 3.620 20 0 EHADRM Cc1ccc(OCCC(=O)Nc2ccc(NC(=O)[O-])cc2)c(C)c1 ZINC000740146220 602501974 /nfs/dbraw/zinc/50/19/74/602501974.db2.gz IKWGEZCHOVCWHB-UHFFFAOYSA-N -1 0 328.368 3.801 20 0 EHADRM CCc1c(C(=O)Nc2ccc(NC(=O)[O-])cc2)cnn1C(C)(C)C ZINC000739535963 602502600 /nfs/dbraw/zinc/50/26/00/602502600.db2.gz JVTGJXKFOVJEQG-UHFFFAOYSA-N -1 0 330.388 3.543 20 0 EHADRM CC(C)(C)n1nc(C(=O)Nc2ccc(NC(=O)[O-])cc2)cc1C1CC1 ZINC000738728940 602502612 /nfs/dbraw/zinc/50/26/12/602502612.db2.gz FIEIHPGTHDFKSW-UHFFFAOYSA-N -1 0 342.399 3.858 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)CSc3ccccc3)ccc21 ZINC000740382091 602507015 /nfs/dbraw/zinc/50/70/15/602507015.db2.gz ZEMMZORGMQWCOX-UHFFFAOYSA-N -1 0 342.420 3.848 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)CCc3ccsc3)ccc21 ZINC000740364649 602507039 /nfs/dbraw/zinc/50/70/39/602507039.db2.gz WSBPDUCBOMIHRH-UHFFFAOYSA-N -1 0 330.409 3.750 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])c(Cl)n1 ZINC000740107865 602508713 /nfs/dbraw/zinc/50/87/13/602508713.db2.gz RFSMSHFLSPNGCI-UHFFFAOYSA-N -1 0 345.786 3.726 20 0 EHADRM CCCN(C(=O)c1cc2sccc2s1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739344750 602517388 /nfs/dbraw/zinc/51/73/88/602517388.db2.gz LSHXSYOCHAXHNL-JTQLQIEISA-N -1 0 338.454 3.567 20 0 EHADRM CC[C@@H]1CN(C(=O)c2cc3ccccc3cc2NC(=O)[O-])C[C@@H](C)O1 ZINC000739277973 602538110 /nfs/dbraw/zinc/53/81/10/602538110.db2.gz HWJVCHTUNGVJEQ-IUODEOHRSA-N -1 0 342.395 3.569 20 0 EHADRM Cc1cccc(NC(=O)N2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)c1C ZINC000740171722 602579757 /nfs/dbraw/zinc/57/97/57/602579757.db2.gz STPPOWUCQYLMAH-WBVHZDCISA-N -1 0 345.443 3.690 20 0 EHADRM CC(C)CCc1ccccc1NC(=O)N1CCC[C@@H](CNC(=O)[O-])C1 ZINC000738821210 602593523 /nfs/dbraw/zinc/59/35/23/602593523.db2.gz PVPDBOGNGFWDCQ-HNNXBMFYSA-N -1 0 347.459 3.787 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)Nc1ccc(O)c(Cl)c1)c1ccccc1 ZINC000740541133 602596426 /nfs/dbraw/zinc/59/64/26/602596426.db2.gz WZIIQZFNHOYPEX-CQSZACIVSA-N -1 0 348.786 3.773 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)NCc3ccc(Cl)o3)ccc21 ZINC000740446141 602607144 /nfs/dbraw/zinc/60/71/44/602607144.db2.gz CRGQCZWSHFMTCV-UHFFFAOYSA-N -1 0 349.774 3.685 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)N3CCC[C@H]3C3CCC3)ccc21 ZINC000740523179 602608307 /nfs/dbraw/zinc/60/83/07/602608307.db2.gz FVBXFVYVLJYJBM-INIZCTEOSA-N -1 0 343.427 3.914 20 0 EHADRM COc1cccc([C@H](CNC(=O)[O-])c2c[nH]c3ccccc32)c1OC ZINC000739944225 602663585 /nfs/dbraw/zinc/66/35/85/602663585.db2.gz CDPLBUALLJUKGE-HNNXBMFYSA-N -1 0 340.379 3.585 20 0 EHADRM CC[C@H](Nc1ccccc1)C(=O)Nc1ccc(NC(=O)[O-])c(OC)c1 ZINC000739271425 602667516 /nfs/dbraw/zinc/66/75/16/602667516.db2.gz OCSUQHFEFAKKSN-AWEZNQCLSA-N -1 0 343.383 3.614 20 0 EHADRM COc1ccc([C@@H](NC(=O)[O-])c2ccccc2)cc1Br ZINC000737960848 602671186 /nfs/dbraw/zinc/67/11/86/602671186.db2.gz DJCAKSOWMKLOBV-AWEZNQCLSA-N -1 0 336.185 3.815 20 0 EHADRM O=C([O-])N1CC[C@@H](CCNc2ccc(C(F)(F)F)c(Cl)n2)C1 ZINC000740499463 602687524 /nfs/dbraw/zinc/68/75/24/602687524.db2.gz ZZLLWVRSUPZIOD-MRVPVSSYSA-N -1 0 337.729 3.556 20 0 EHADRM CC(C)N(CCC(=O)Nc1cc(C(F)(F)F)ccc1F)C(=O)[O-] ZINC000738844279 602691956 /nfs/dbraw/zinc/69/19/56/602691956.db2.gz SFMNFQNTQDNYFH-UHFFFAOYSA-N -1 0 336.285 3.562 20 0 EHADRM CCC[C@](C)(NC(=O)[O-])C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000739297368 602692450 /nfs/dbraw/zinc/69/24/50/602692450.db2.gz CDBUFIZEWXKONE-ZDUSSCGKSA-N -1 0 336.285 3.609 20 0 EHADRM CC(C)(C)C1CCC(OC(=O)c2csc(CNC(=O)[O-])n2)CC1 ZINC000738676444 602694045 /nfs/dbraw/zinc/69/40/45/602694045.db2.gz QZCYBZCDJGCQNC-UHFFFAOYSA-N -1 0 340.445 3.672 20 0 EHADRM CCN(Cc1cccc(NC(=O)/C=C\c2cnc(C)s2)c1)C(=O)[O-] ZINC000739441567 602707396 /nfs/dbraw/zinc/70/73/96/602707396.db2.gz OHPWWHNOBGTLCR-FPLPWBNLSA-N -1 0 345.424 3.603 20 0 EHADRM CC(=O)c1csc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])c1 ZINC000738596099 602727141 /nfs/dbraw/zinc/72/71/41/602727141.db2.gz FXASHCBYJYBSFD-UHFFFAOYSA-N -1 0 344.392 3.634 20 0 EHADRM CC[C@@H](OC(=O)c1csc(CNC(=O)[O-])n1)c1ccc(C)cc1 ZINC000739276202 602727987 /nfs/dbraw/zinc/72/79/87/602727987.db2.gz CQENSYQJWWVKHT-CYBMUJFWSA-N -1 0 334.397 3.527 20 0 EHADRM CC(C)N(Cc1ccco1)C(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823654797 602761131 /nfs/dbraw/zinc/76/11/31/602761131.db2.gz MJNSBNITOHOXPP-YOEHRIQHSA-N -1 0 344.411 3.662 20 0 EHADRM C[C@H](SCc1nc(C(C)(C)NC(=O)[O-])no1)c1cccs1 ZINC000739052922 602780594 /nfs/dbraw/zinc/78/05/94/602780594.db2.gz OAQWUQMAGYTESP-QMMMGPOBSA-N -1 0 327.431 3.628 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)N1CCC[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000740538185 602784543 /nfs/dbraw/zinc/78/45/43/602784543.db2.gz LDIKJTXSVJVBTP-ZACQAIPSSA-N -1 0 330.428 3.567 20 0 EHADRM CC(C)(CCC(=O)Nc1cccc(Oc2ccncc2)c1)NC(=O)[O-] ZINC000738744642 602806434 /nfs/dbraw/zinc/80/64/34/602806434.db2.gz OYHSLTWTVGAXFY-UHFFFAOYSA-N -1 0 343.383 3.639 20 0 EHADRM C[C@H](CCc1cccn1C)NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000738911065 602810586 /nfs/dbraw/zinc/81/05/86/602810586.db2.gz YEFUTLKJBFPFBT-LLVKDONJSA-N -1 0 349.818 3.520 20 0 EHADRM CC[C@@H](c1ccncc1)N(C)C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739263513 602814250 /nfs/dbraw/zinc/81/42/50/602814250.db2.gz JYFGEWKRYKOBDH-HNNXBMFYSA-N -1 0 331.347 3.534 20 0 EHADRM C[C@@H](CNC(=O)c1cccc(NC(=O)[O-])c1)Oc1cccc(Cl)c1 ZINC000736605955 602817084 /nfs/dbraw/zinc/81/70/84/602817084.db2.gz XGXVRTCDJBRFEU-NSHDSACASA-N -1 0 348.786 3.627 20 0 EHADRM Cc1ccc(C(=O)N2CCC(c3nccs3)CC2)cc1NC(=O)[O-] ZINC000830187346 602817949 /nfs/dbraw/zinc/81/79/49/602817949.db2.gz PWIZEIRGUFEPAA-UHFFFAOYSA-N -1 0 345.424 3.561 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)N2CCC(CNC(=O)[O-])CC2)cc1 ZINC000738875482 602827894 /nfs/dbraw/zinc/82/78/94/602827894.db2.gz HGMPLQRZFWAJES-HNNXBMFYSA-N -1 0 346.471 3.810 20 0 EHADRM O=C([O-])N1CCc2ccc(NC(=O)c3coc4ccccc34)cc2C1 ZINC000740470419 602844355 /nfs/dbraw/zinc/84/43/55/602844355.db2.gz RGDIUWGGPDMSNK-UHFFFAOYSA-N -1 0 336.347 3.721 20 0 EHADRM C[C@@H](CC(=O)c1ccccc1F)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000824744539 602857462 /nfs/dbraw/zinc/85/74/62/602857462.db2.gz ZNELWRSNHGBJIG-NSHDSACASA-N -1 0 344.342 3.763 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)cc1 ZINC000738662490 602878384 /nfs/dbraw/zinc/87/83/84/602878384.db2.gz ADHZTFKDBMVLCI-NWDGAFQWSA-N -1 0 332.306 3.797 20 0 EHADRM CN(Cc1ccccc1NC(=O)N1CCC2(CCCC2)CC1)C(=O)[O-] ZINC000739712639 602902152 /nfs/dbraw/zinc/90/21/52/602902152.db2.gz HMAQPTGGLKXYEV-UHFFFAOYSA-N -1 0 345.443 3.985 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccccc2C(C)(C)C)C[C@@H](C)N1C(=O)[O-] ZINC000739145049 602939206 /nfs/dbraw/zinc/93/92/06/602939206.db2.gz KRGLJSVRFGMHEN-CHWSQXEVSA-N -1 0 333.432 3.589 20 0 EHADRM COCc1cccc(NC(=O)Nc2ccc(NC(=O)[O-])c(OC)c2)c1 ZINC000739842376 602946970 /nfs/dbraw/zinc/94/69/70/602946970.db2.gz DNHGGSXLEXWITI-UHFFFAOYSA-N -1 0 345.355 3.576 20 0 EHADRM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)CC(C)(C)NC(=O)[O-] ZINC000739055938 602951263 /nfs/dbraw/zinc/95/12/63/602951263.db2.gz YLTVDUKKXVOROK-VIFPVBQESA-N -1 0 347.242 3.949 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Oc2ccc(NC(=O)[O-])cc2)cc1C ZINC000738251241 602960728 /nfs/dbraw/zinc/96/07/28/602960728.db2.gz IFDHAQARNRNJPO-UHFFFAOYSA-N -1 0 341.363 3.962 20 0 EHADRM Cc1cc(Cl)cc(NC(=O)c2ccc(F)c(NC(=O)[O-])c2)c1O ZINC000740074775 602970251 /nfs/dbraw/zinc/97/02/51/602970251.db2.gz HMKUWSLQDJQLHX-UHFFFAOYSA-N -1 0 338.722 3.835 20 0 EHADRM Cc1cc(C)cc(CCNC(=O)c2ccc(C)c(NC(=O)[O-])c2)c1 ZINC000830003480 602985122 /nfs/dbraw/zinc/98/51/22/602985122.db2.gz ICOBBMFOWGNQQR-UHFFFAOYSA-N -1 0 326.396 3.674 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc(CNC(=O)[O-])o2)cc1 ZINC000830282346 602990550 /nfs/dbraw/zinc/99/05/50/602990550.db2.gz PZVNJERDGACKKF-INIZCTEOSA-N -1 0 342.395 3.723 20 0 EHADRM C[C@@H](OC(=O)c1cccn1C1CCN(C(=O)[O-])CC1)c1cccs1 ZINC000739043116 602996311 /nfs/dbraw/zinc/99/63/11/602996311.db2.gz MSSGYRWHESGQSE-GFCCVEGCSA-N -1 0 348.424 3.783 20 0 EHADRM CCC[C@H](CC1CCCC1)C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000739301175 602999106 /nfs/dbraw/zinc/99/91/06/602999106.db2.gz APGYUTLHVWCXFW-MGNMYUMUSA-N -1 0 336.476 3.773 20 0 EHADRM Cc1ccc(SCc2nc(C3(NC(=O)[O-])CCC3)no2)c(C)c1 ZINC000740151677 603004574 /nfs/dbraw/zinc/00/45/74/603004574.db2.gz FEAYTUAGCGRJBH-UHFFFAOYSA-N -1 0 333.413 3.626 20 0 EHADRM CC[C@@H](c1ccncc1)N(CC)C(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000739267761 603009071 /nfs/dbraw/zinc/00/90/71/603009071.db2.gz ZSCIBUOJXOXILY-KRWDZBQOSA-N -1 0 341.411 3.714 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2nc3ccsc3s2)ccc1F ZINC000740699771 603009658 /nfs/dbraw/zinc/00/96/58/603009658.db2.gz WAGNEDSTLYSTHK-UHFFFAOYSA-N -1 0 337.357 3.839 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc(Cc2ccc(Cl)c(Cl)c2)n1 ZINC000738914417 603012236 /nfs/dbraw/zinc/01/22/36/603012236.db2.gz QGJOIBIQJGXBLB-MRVPVSSYSA-N -1 0 344.198 3.681 20 0 EHADRM CC(C)c1cc(-c2nc([C@@H](C)CN(C)C(=O)[O-])no2)nn1C(C)(C)C ZINC000738872890 603012974 /nfs/dbraw/zinc/01/29/74/603012974.db2.gz LMEVTUUGOSAJCW-NSHDSACASA-N -1 0 349.435 3.525 20 0 EHADRM C[C@H](NC(=O)CCCN(C)C(=O)[O-])c1cccc(Cl)c1Cl ZINC000736638067 603017726 /nfs/dbraw/zinc/01/77/26/603017726.db2.gz ZLNONRQCWXTLBF-VIFPVBQESA-N -1 0 333.215 3.561 20 0 EHADRM C[C@@H](CN(C)C(=O)[O-])c1noc(CSc2ccccc2Cl)n1 ZINC000738915419 603020364 /nfs/dbraw/zinc/02/03/64/603020364.db2.gz XIRZUWQCLWSXCC-VIFPVBQESA-N -1 0 341.820 3.729 20 0 EHADRM CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1cccc(NC2CCCC2)c1 ZINC000739292832 603027738 /nfs/dbraw/zinc/02/77/38/603027738.db2.gz AZFIBZFAZMULIJ-GOSISDBHSA-N -1 0 333.432 3.806 20 0 EHADRM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739195620 603032220 /nfs/dbraw/zinc/03/22/20/603032220.db2.gz BWPQUMZSSYQJTG-HWPZZCPQSA-N -1 0 343.358 3.971 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)NCc2cc(F)ccc2F)c1 ZINC000740706056 603035081 /nfs/dbraw/zinc/03/50/81/603035081.db2.gz WUDGMDAJKWPZJI-UHFFFAOYSA-N -1 0 339.273 3.516 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N[C@@H]2CCc3cc(F)ccc32)c1 ZINC000740706992 603035519 /nfs/dbraw/zinc/03/55/19/603035519.db2.gz KROKRTPUNBXSLY-CQSZACIVSA-N -1 0 347.321 3.864 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)c1 ZINC000740704276 603038570 /nfs/dbraw/zinc/03/85/70/603038570.db2.gz ARJBRUQRJCDSOK-KCXRBIIJSA-N -1 0 347.390 3.958 20 0 EHADRM C[C@@H](Cc1ccccc1F)NC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000738951043 603040526 /nfs/dbraw/zinc/04/05/26/603040526.db2.gz SVCOCNMXYBAXBL-JTQLQIEISA-N -1 0 349.337 3.807 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)N2CC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000740671739 603043411 /nfs/dbraw/zinc/04/34/11/603043411.db2.gz SIBRLINJUVINMG-MRXNPFEDSA-N -1 0 344.798 3.695 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)C1 ZINC000825851515 603061367 /nfs/dbraw/zinc/06/13/67/603061367.db2.gz IUJWJGHGIKTJQQ-UMPJEAMMSA-N -1 0 348.418 3.562 20 0 EHADRM C[C@@H](NC(=O)[C@@H](CNC(=O)[O-])c1ccccc1)c1ccccc1Cl ZINC000738954481 603079629 /nfs/dbraw/zinc/07/96/29/603079629.db2.gz XIMYMCFTBHGYOD-DOMZBBRYSA-N -1 0 346.814 3.569 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000738724321 603135303 /nfs/dbraw/zinc/13/53/03/603135303.db2.gz GPUJVWZBPZCXTR-UHFFFAOYSA-N -1 0 333.432 3.684 20 0 EHADRM CC[C@H](C)Oc1ccc(NC(=O)NC2CCC(NC(=O)[O-])CC2)cc1 ZINC000739247417 603138853 /nfs/dbraw/zinc/13/88/53/603138853.db2.gz ARYIBNRNYRNVHZ-OPFPJEHXSA-N -1 0 349.431 3.564 20 0 EHADRM CC[C@@H]1CCCCCN1C(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000739273688 603142240 /nfs/dbraw/zinc/14/22/40/603142240.db2.gz UXNCZQPKVLMZKA-MRXNPFEDSA-N -1 0 333.432 3.983 20 0 EHADRM Cc1ccccc1CN(C)C(=O)[C@H](C)Oc1ccc(NC(=O)[O-])cc1 ZINC000830573375 603157309 /nfs/dbraw/zinc/15/73/09/603157309.db2.gz JHYZFBMDSWRQCQ-AWEZNQCLSA-N -1 0 342.395 3.511 20 0 EHADRM C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)c2ccccc2S1 ZINC000739114430 603159638 /nfs/dbraw/zinc/15/96/38/603159638.db2.gz WMQKMADNVRXXEV-MGPQQGTHSA-N -1 0 348.468 3.730 20 0 EHADRM CN(C(=O)[O-])c1ccc(OCc2ccn(-c3cccc(F)c3)n2)cc1 ZINC000827920803 603159618 /nfs/dbraw/zinc/15/96/18/603159618.db2.gz ARIRBGGLKLZFQQ-UHFFFAOYSA-N -1 0 341.342 3.705 20 0 EHADRM COc1cc(NC(=O)C2(c3ccccc3F)CC2)ccc1NC(=O)[O-] ZINC000739864406 603169563 /nfs/dbraw/zinc/16/95/63/603169563.db2.gz CGZWURYICWXHGC-UHFFFAOYSA-N -1 0 344.342 3.595 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)[C@H]2Cc3ccccc3S2)cc1 ZINC000825418085 603170571 /nfs/dbraw/zinc/17/05/71/603170571.db2.gz RZHGVPIXFWTAER-MEDUHNTESA-N -1 0 342.420 3.671 20 0 EHADRM CCc1ccc(OCC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1 ZINC000827589337 603172200 /nfs/dbraw/zinc/17/22/00/603172200.db2.gz HGJHKFDTEVOEEZ-CYBMUJFWSA-N -1 0 342.395 3.595 20 0 EHADRM CC(C)(C(=O)Nc1cccc2c1CCN(C(=O)[O-])C2)c1ccccc1 ZINC000738660834 603175982 /nfs/dbraw/zinc/17/59/82/603175982.db2.gz CLFFDAJKHQHQAI-UHFFFAOYSA-N -1 0 338.407 3.639 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)[C@H]2CCOc3ccccc32)cc1 ZINC000825416951 603176709 /nfs/dbraw/zinc/17/67/09/603176709.db2.gz NKMHXUHPUCXGPM-LRDDRELGSA-N -1 0 340.379 3.520 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2CCC(c3ccccc3F)CC2)c1 ZINC000740027585 603182692 /nfs/dbraw/zinc/18/26/92/603182692.db2.gz XHJDZZUIKKXCJM-UHFFFAOYSA-N -1 0 342.370 3.935 20 0 EHADRM CN(CCCNC(=O)[O-])C(=O)c1cc2sc3ccccc3c2s1 ZINC000739674902 603185263 /nfs/dbraw/zinc/18/52/63/603185263.db2.gz MHKGDKQDWNWUKP-UHFFFAOYSA-N -1 0 348.449 3.846 20 0 EHADRM COc1ccccc1CCC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000829626801 603185752 /nfs/dbraw/zinc/18/57/52/603185752.db2.gz JQCLSVWWWVIBSC-ZDUSSCGKSA-N -1 0 342.395 3.595 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2cccc3c2ccn3C)cc1 ZINC000825449560 603186923 /nfs/dbraw/zinc/18/69/23/603186923.db2.gz TYOFPWUCBRCMQE-LBPRGKRZSA-N -1 0 337.379 3.759 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000825423148 603193184 /nfs/dbraw/zinc/19/31/84/603193184.db2.gz OAKRUUYBMNPUNX-NSHDSACASA-N -1 0 332.787 3.850 20 0 EHADRM CCCc1nc(C)c(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)s1 ZINC000826953739 603195746 /nfs/dbraw/zinc/19/57/46/603195746.db2.gz KYRQBQBIYILXMX-SNVBAGLBSA-N -1 0 347.440 3.985 20 0 EHADRM COc1cccc([C@@H](C)C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)c1 ZINC000829543803 603195775 /nfs/dbraw/zinc/19/57/75/603195775.db2.gz PNKAVLLUFYOEJE-OLZOCXBDSA-N -1 0 342.395 3.766 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2cc(F)ccc2F)c(Cl)c1 ZINC000740700272 603201068 /nfs/dbraw/zinc/20/10/68/603201068.db2.gz DELWHAOMQCGLJK-UHFFFAOYSA-N -1 0 326.686 3.960 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000739093237 603208190 /nfs/dbraw/zinc/20/81/90/603208190.db2.gz WOGCIQXQKVMWLK-UBDQQSCGSA-N -1 0 344.455 3.955 20 0 EHADRM CC(C)n1cc2cc(NC(=O)C3(NC(=O)[O-])CCCCC3)ccc2n1 ZINC000738891684 603209477 /nfs/dbraw/zinc/20/94/77/603209477.db2.gz UIOVZEXHGFMWGO-UHFFFAOYSA-N -1 0 344.415 3.526 20 0 EHADRM CC(C)(NC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1)c1cccc(Cl)c1 ZINC000738752861 603209919 /nfs/dbraw/zinc/20/99/19/603209919.db2.gz OMMUGICHMXIGJV-BXUZGUMPSA-N -1 0 338.835 3.518 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739050622 603213998 /nfs/dbraw/zinc/21/39/98/603213998.db2.gz BDIUQBNOIGYMIM-VHSXEESVSA-N -1 0 345.226 3.513 20 0 EHADRM Cc1ccc(N(Cc2cccs2)C(=O)[C@@H]2CCN(C(=O)[O-])C2)cc1 ZINC000740130965 603216491 /nfs/dbraw/zinc/21/64/91/603216491.db2.gz QOOXSIJGDNBHBS-CQSZACIVSA-N -1 0 344.436 3.590 20 0 EHADRM CCSCc1cccc(NC(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)c1 ZINC000739515924 603217749 /nfs/dbraw/zinc/21/77/49/603217749.db2.gz CSWRRYARKPBNBI-DZGCQCFKSA-N -1 0 336.457 3.705 20 0 EHADRM Cc1ncc(COC(=O)c2ccc(NC(=O)[O-])cc2Cl)s1 ZINC000740230310 603228085 /nfs/dbraw/zinc/22/80/85/603228085.db2.gz AJIAENATUSLNMQ-UHFFFAOYSA-N -1 0 326.761 3.552 20 0 EHADRM CC(C)Cc1ccc([C@H](C)NC(=O)c2ccc(CNC(=O)[O-])o2)cc1 ZINC000824310861 603228739 /nfs/dbraw/zinc/22/87/39/603228739.db2.gz GSJVANYSKCBZQX-ZDUSSCGKSA-N -1 0 344.411 3.737 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CC2CCN(C(=O)[O-])CC2)o1 ZINC000830280854 603229885 /nfs/dbraw/zinc/22/98/85/603229885.db2.gz AWRCANLPMPCDIQ-CJNGLKHVSA-N -1 0 348.443 3.668 20 0 EHADRM Cc1ccc(C(=O)NCCc2cccc(Cl)c2)cc1NC(=O)[O-] ZINC000830220135 603239095 /nfs/dbraw/zinc/23/90/95/603239095.db2.gz OPIRQKDONNYYJW-UHFFFAOYSA-N -1 0 332.787 3.711 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2ccccc2OCC2CC2)c1 ZINC000740036835 603261673 /nfs/dbraw/zinc/26/16/73/603261673.db2.gz ONDLWSSUDVXEQP-UHFFFAOYSA-N -1 0 326.352 3.818 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)Nc2ccccc2OCC2CC2)cc1 ZINC000740702541 603262238 /nfs/dbraw/zinc/26/22/38/603262238.db2.gz BQFZBIDSVQTSOB-UHFFFAOYSA-N -1 0 340.379 3.747 20 0 EHADRM Cc1ccc(NC(=O)[C@H](CNC(=O)[O-])c2ccccc2)c2cccnc12 ZINC000830356665 603281725 /nfs/dbraw/zinc/28/17/25/603281725.db2.gz ADHLQMVWHAYEOD-MRXNPFEDSA-N -1 0 349.390 3.533 20 0 EHADRM CN(C(=O)Nc1cccc2c1CCN(C(=O)[O-])C2)C1CCCCC1 ZINC000739576320 603290311 /nfs/dbraw/zinc/29/03/11/603290311.db2.gz RGFYEMPDTYLMIO-UHFFFAOYSA-N -1 0 331.416 3.519 20 0 EHADRM CCN(C(=O)Nc1cccc2c1CCN(C(=O)[O-])C2)[C@@H](C)C(C)C ZINC000739380699 603295289 /nfs/dbraw/zinc/29/52/89/603295289.db2.gz KHZVHENMWBYBHU-ZDUSSCGKSA-N -1 0 333.432 3.621 20 0 EHADRM O=C([O-])N[C@H](C(=O)Nc1cccc2[nH]ccc21)c1cccc(Cl)c1 ZINC000740532022 603297303 /nfs/dbraw/zinc/29/73/03/603297303.db2.gz LTFHOVNUQITMTP-HNNXBMFYSA-N -1 0 343.770 3.769 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N[C@H]1CCC[C@H](C)C1 ZINC000829172767 603301631 /nfs/dbraw/zinc/30/16/31/603301631.db2.gz BJTDNHCAGWIWFK-UWVGGRQHSA-N -1 0 340.807 3.747 20 0 EHADRM Cc1cc([C@H](C)NC(=O)[C@@H](CNC(=O)[O-])c2ccccc2)c(C)s1 ZINC000829979836 603312082 /nfs/dbraw/zinc/31/20/82/603312082.db2.gz IJOKQXLYSHHHMD-LRDDRELGSA-N -1 0 346.452 3.594 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c1 ZINC000832724723 603321171 /nfs/dbraw/zinc/32/11/71/603321171.db2.gz LWSRWVITXUFZAC-IIAWOOMASA-N -1 0 331.416 3.545 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2cccc(CNC(=O)[O-])c2)cc1C ZINC000740115612 603323803 /nfs/dbraw/zinc/32/38/03/603323803.db2.gz XNWKUXKFBHMZBH-CQSZACIVSA-N -1 0 341.411 3.954 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)Nc2cc(NC(=O)[O-])ccc2F)CCS1 ZINC000824163792 603325327 /nfs/dbraw/zinc/32/53/27/603325327.db2.gz ACIZPDQAVMAHLS-ZDUSSCGKSA-N -1 0 341.408 3.521 20 0 EHADRM CC[C@@]1(C)CCCN(C(=O)Nc2ccccc2CN(C)C(=O)[O-])C1 ZINC000826644578 603329273 /nfs/dbraw/zinc/32/92/73/603329273.db2.gz KNVCFJZQROWISP-SFHVURJKSA-N -1 0 333.432 3.840 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N1CCC2(CCCC2)C1)C(=O)[O-] ZINC000827187206 603337248 /nfs/dbraw/zinc/33/72/48/603337248.db2.gz STRJHVMIQHKKTH-UHFFFAOYSA-N -1 0 345.443 3.985 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N[C@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000739449523 603353997 /nfs/dbraw/zinc/35/39/97/603353997.db2.gz XGOUBXWFQCZYHY-ZFWWWQNUSA-N -1 0 333.432 3.887 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N(C)[C@@H](C)c2ccco2)cc1 ZINC000825421865 603363442 /nfs/dbraw/zinc/36/34/42/603363442.db2.gz COBRVNZXANKWJS-NEPJUHHUSA-N -1 0 331.372 3.833 20 0 EHADRM CCc1nc(NC(=O)[C@@H](C)[C@H](NC(=O)[O-])c2ccccc2)sc1C ZINC000827635853 603369936 /nfs/dbraw/zinc/36/99/36/603369936.db2.gz GVYORFVMOOQXDK-HZMBPMFUSA-N -1 0 347.440 3.597 20 0 EHADRM Cc1cccc(F)c1CNC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000830505879 603379379 /nfs/dbraw/zinc/37/93/79/603379379.db2.gz PVVFTFRCNPDLFM-GFCCVEGCSA-N -1 0 345.374 3.784 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N([C@H](C)C2CC2)C2CC2)cc1 ZINC000825423595 603379878 /nfs/dbraw/zinc/37/98/78/603379878.db2.gz SGSSCEJXQXLQRZ-VXGBXAGGSA-N -1 0 331.416 3.810 20 0 EHADRM CCSCC[C@H](C)NC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000827503764 603383074 /nfs/dbraw/zinc/38/30/74/603383074.db2.gz LZXOSSSAWFSXKV-RYUDHWBXSA-N -1 0 339.461 3.668 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)o1 ZINC000830257965 603385214 /nfs/dbraw/zinc/38/52/14/603385214.db2.gz YGVHRZHSJCWSSC-RYUDHWBXSA-N -1 0 331.372 3.799 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000825426652 603386048 /nfs/dbraw/zinc/38/60/48/603386048.db2.gz HVLUKGJNBNSBHX-STQMWFEESA-N -1 0 327.384 3.898 20 0 EHADRM COc1cc(NC(=O)[C@H](C)c2cccc(F)c2)ccc1NC(=O)[O-] ZINC000739869381 603397757 /nfs/dbraw/zinc/39/77/57/603397757.db2.gz XGHVKAWUHNEOCQ-SNVBAGLBSA-N -1 0 332.331 3.666 20 0 EHADRM Cc1ccc(C(=O)N[C@@H]2CCc3cc(F)ccc32)cc1NC(=O)[O-] ZINC000830211582 603400219 /nfs/dbraw/zinc/40/02/19/603400219.db2.gz UJLHQWFHTYWRKE-OAHLLOKOSA-N -1 0 328.343 3.641 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@@H](c2nc(-c3c(Cl)cccc3Cl)no2)C1 ZINC000832317782 603410036 /nfs/dbraw/zinc/41/00/36/603410036.db2.gz CSMKSHKOMDLKTH-HTQZYQBOSA-N -1 0 342.182 3.947 20 0 EHADRM C[C@H](C(=O)Nc1cccc(F)c1F)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823724704 603420234 /nfs/dbraw/zinc/42/02/34/603420234.db2.gz SNNOIFGRFPCZIX-ZUZCIYMTSA-N -1 0 334.322 3.548 20 0 EHADRM O=C([O-])N1CCCN(C(=O)[C@H]2CCc3ccccc32)c2ccccc21 ZINC000740517640 603431494 /nfs/dbraw/zinc/43/14/94/603431494.db2.gz ZLKIMWZODOOKRD-INIZCTEOSA-N -1 0 336.391 3.638 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)C/C=C/c2ccc(F)cc2)c1 ZINC000832724783 603445219 /nfs/dbraw/zinc/44/52/19/603445219.db2.gz NRLILICLRBCDMY-NSCUHMNNSA-N -1 0 328.343 3.635 20 0 EHADRM CCCCN(C(=O)NCC(C)(C)NC(=O)[O-])[C@@H](C)c1ccc(C)o1 ZINC000826831131 603452504 /nfs/dbraw/zinc/45/25/04/603452504.db2.gz XREFGUJGYKJERG-ZDUSSCGKSA-N -1 0 339.436 3.507 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)C/C=C\c2cccc(F)c2)cc1 ZINC000832841878 603456576 /nfs/dbraw/zinc/45/65/76/603456576.db2.gz RIOKCEVXNHWOPX-RQOWECAXSA-N -1 0 342.370 3.678 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc(-c2cccc(C(F)(F)F)c2F)n1 ZINC000824902763 603462539 /nfs/dbraw/zinc/46/25/39/603462539.db2.gz ORKWNDSYALOKLW-SSDOTTSWSA-N -1 0 347.268 3.608 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)C2CCC(NC(=O)[O-])CC2)cc1 ZINC000823755017 603463374 /nfs/dbraw/zinc/46/33/74/603463374.db2.gz WCHOKZHCWKDJPX-UHFFFAOYSA-N -1 0 346.427 3.680 20 0 EHADRM CC(C)[C@@H](CC(=O)N(C)C1CCC(NC(=O)[O-])CC1)c1ccccc1 ZINC000824072638 603474138 /nfs/dbraw/zinc/47/41/38/603474138.db2.gz WDLIRIHUAAPQFT-DAWZGUTISA-N -1 0 346.471 3.854 20 0 EHADRM C[C@H](c1cccs1)N(C)C(=O)C[C@@H](Cc1ccccc1)NC(=O)[O-] ZINC000825644756 603489741 /nfs/dbraw/zinc/48/97/41/603489741.db2.gz HUSUCALJDVNHIT-UKRRQHHQSA-N -1 0 346.452 3.537 20 0 EHADRM O=C([O-])N1CCC[C@H](CCNC(=O)c2c(Cl)cccc2Cl)C1 ZINC000831659806 603491386 /nfs/dbraw/zinc/49/13/86/603491386.db2.gz PIYUMDAKUJECAW-SNVBAGLBSA-N -1 0 345.226 3.503 20 0 EHADRM CSc1ccc(NC(=O)C2CCC(NC(=O)[O-])CC2)cc1Cl ZINC000829766583 603517429 /nfs/dbraw/zinc/51/74/29/603517429.db2.gz KAFSFOGWWFPOPZ-UHFFFAOYSA-N -1 0 342.848 3.827 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N(C)[C@@H](C)C(C)(C)C ZINC000829167462 603530840 /nfs/dbraw/zinc/53/08/40/603530840.db2.gz LLTCMMGSYIONCR-VIFPVBQESA-N -1 0 342.823 3.945 20 0 EHADRM O=C([O-])N[C@H]1CC[C@@H](C(=O)Nc2ccc3nc(C4CC4)sc3c2)C1 ZINC000832284280 603532528 /nfs/dbraw/zinc/53/25/28/603532528.db2.gz BFSZPAPFAVCCCN-MNOVXSKESA-N -1 0 345.424 3.549 20 0 EHADRM CC(C)N(C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1)c1ccc(F)cc1Cl ZINC000824323476 603535269 /nfs/dbraw/zinc/53/52/69/603535269.db2.gz DOTYZPSQLGPOFU-JQWIXIFHSA-N -1 0 342.798 3.657 20 0 EHADRM O=C([O-])N1CC(CC(=O)N2CCC[C@H]2c2cccc3ccccc32)C1 ZINC000831842353 603568335 /nfs/dbraw/zinc/56/83/35/603568335.db2.gz XREYSMYIJZMOHA-SFHVURJKSA-N -1 0 338.407 3.503 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000832253823 603633652 /nfs/dbraw/zinc/63/36/52/603633652.db2.gz HVIIQGUNJFYWHH-OIISXLGYSA-N -1 0 348.418 3.610 20 0 EHADRM CCc1cccc(CC)c1NC(=O)COc1cccc(NC(=O)[O-])c1 ZINC000827594524 603633762 /nfs/dbraw/zinc/63/37/62/603633762.db2.gz IXRUOPTVRSJHQG-UHFFFAOYSA-N -1 0 342.395 3.919 20 0 EHADRM CN(Cc1ccccc1NC(=O)c1cc(F)cc(Cl)c1)C(=O)[O-] ZINC000828400360 603646921 /nfs/dbraw/zinc/64/69/21/603646921.db2.gz YISWYEVBCHWQFJ-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM Cc1ccc2c(c1)N(C(=O)c1ccc(NC(=O)[O-])cc1)C[C@@H](C)O2 ZINC000830447047 603679399 /nfs/dbraw/zinc/67/93/99/603679399.db2.gz ZNXDEGKYJNPQCP-GFCCVEGCSA-N -1 0 326.352 3.513 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)Nc3ccc(NC(=O)[O-])nc3)c2c1 ZINC000830438732 603741291 /nfs/dbraw/zinc/74/12/91/603741291.db2.gz LCVPHBMIURBCDQ-UHFFFAOYSA-N -1 0 338.367 3.533 20 0 EHADRM CC(C)(C)OCc1ccc(NC(=O)CCC(C)(C)NC(=O)[O-])cc1 ZINC000823889942 603772519 /nfs/dbraw/zinc/77/25/19/603772519.db2.gz HXIVTKONVBNHDL-UHFFFAOYSA-N -1 0 336.432 3.767 20 0 EHADRM C[C@@H](NC(=O)[C@@H](C)Oc1ccc(NC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000825616475 603780126 /nfs/dbraw/zinc/78/01/26/603780126.db2.gz DOJWBOGZABFJPY-VXGBXAGGSA-N -1 0 346.358 3.560 20 0 EHADRM C[C@H](NC(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccc(F)cc1F ZINC000738992263 603807177 /nfs/dbraw/zinc/80/71/77/603807177.db2.gz YZZQEEYRVOKMEW-JTQLQIEISA-N -1 0 349.337 3.615 20 0 EHADRM CN(C(=S)Nc1cccc(Cl)c1)C1CCC(NC(=O)[O-])CC1 ZINC000827949397 603828492 /nfs/dbraw/zinc/82/84/92/603828492.db2.gz KBSVEPSGTGQGTM-UHFFFAOYSA-N -1 0 341.864 3.547 20 0 EHADRM Cc1cc(F)c(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])cc1F ZINC000830055702 603834014 /nfs/dbraw/zinc/83/40/14/603834014.db2.gz WLLPUIJRWGXHCL-UHFFFAOYSA-N -1 0 332.306 3.566 20 0 EHADRM CC[C@@H](SCc1nc(C(C)(C)NC(=O)[O-])no1)c1ccccc1 ZINC000826630951 603879156 /nfs/dbraw/zinc/87/91/56/603879156.db2.gz AVWDQSMOFQKQBS-GFCCVEGCSA-N -1 0 335.429 3.957 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000832342458 603887152 /nfs/dbraw/zinc/88/71/52/603887152.db2.gz WRAWCJHJZGPNQG-CHWSQXEVSA-N -1 0 344.333 3.556 20 0 EHADRM Cc1cccc([C@@H](C)CNC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1 ZINC000830471222 603907235 /nfs/dbraw/zinc/90/72/35/603907235.db2.gz GUICXRYHDPPOHQ-UNPWZGGWSA-N -1 0 344.455 3.526 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)Nc1ncc(Cl)s1)c1ccccc1 ZINC000832118957 603922321 /nfs/dbraw/zinc/92/23/21/603922321.db2.gz FRDXSKFRZWISPL-SNVBAGLBSA-N -1 0 339.804 3.524 20 0 EHADRM CCN(CC1CCN(C(=O)C/C=C\c2ccc(C)cc2)CC1)C(=O)[O-] ZINC000827059115 603923670 /nfs/dbraw/zinc/92/36/70/603923670.db2.gz GKQLVTXAUPBBCL-PLNGDYQASA-N -1 0 344.455 3.637 20 0 EHADRM Cn1cccc1[C@@H]1CCCCN1C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000831026652 603929288 /nfs/dbraw/zinc/92/92/88/603929288.db2.gz IYVUDBMXRRKMCK-INIZCTEOSA-N -1 0 345.374 3.622 20 0 EHADRM Cc1ccc(NC(=O)Nc2cccc3c2CCN3C(=O)[O-])c(F)c1 ZINC000830390131 603967886 /nfs/dbraw/zinc/96/78/86/603967886.db2.gz HRYDPHXOSAQTHQ-UHFFFAOYSA-N -1 0 329.331 3.819 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)N(Cc2cccc(F)c2)C2CCCC2)C1 ZINC000832239615 603975995 /nfs/dbraw/zinc/97/59/95/603975995.db2.gz MDWPYSHIKHCMHO-GDBMZVCRSA-N -1 0 348.418 3.533 20 0 EHADRM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)o1 ZINC000827584918 603995399 /nfs/dbraw/zinc/99/53/99/603995399.db2.gz WESTVDWGQRINTC-HOSILWTGSA-N -1 0 348.443 3.578 20 0 EHADRM Cc1cccc([C@@H](C)C(=O)Nc2cc3c(cc2NC(=O)[O-])OCO3)c1 ZINC000830473193 604012006 /nfs/dbraw/zinc/01/20/06/604012006.db2.gz UXUYMEJMQFVYFX-LLVKDONJSA-N -1 0 342.351 3.556 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)c(Cl)c1 ZINC000830382534 604066221 /nfs/dbraw/zinc/06/62/21/604066221.db2.gz RXAGHNCYMVNZBL-NEPJUHHUSA-N -1 0 339.823 3.548 20 0 EHADRM CN(C[C@H]1CCCN1Cc1ncc(-c2cccc(Cl)c2)o1)C(=O)[O-] ZINC000828229943 604088564 /nfs/dbraw/zinc/08/85/64/604088564.db2.gz JUTQCJZGUJZLBA-CQSZACIVSA-N -1 0 349.818 3.569 20 0 EHADRM CCc1cccc(CC)c1NC(=O)N(C)C1CCC(NC(=O)[O-])CC1 ZINC000827593744 604118597 /nfs/dbraw/zinc/11/85/97/604118597.db2.gz FEJBLXVVJMRYCY-UHFFFAOYSA-N -1 0 347.459 3.854 20 0 EHADRM O=C([O-])N1CCc2c(cccc2NC(=O)N2CCC[C@@H]3CCC[C@@H]32)C1 ZINC000832079080 604138373 /nfs/dbraw/zinc/13/83/73/604138373.db2.gz CXGRSUYQTCFHJA-GUYCJALGSA-N -1 0 343.427 3.519 20 0 EHADRM O=C([O-])N1CCc2ccc(NC(=O)N3CCC[C@H]4CCC[C@H]43)cc2C1 ZINC000832079039 604138489 /nfs/dbraw/zinc/13/84/89/604138489.db2.gz BTNHZPXDTSUJQU-RHSMWYFYSA-N -1 0 343.427 3.519 20 0 EHADRM Cc1cnc([C@@H](C)NC(=O)Nc2cc(NC(=O)[O-])ccc2F)s1 ZINC000830625312 604144183 /nfs/dbraw/zinc/14/41/83/604144183.db2.gz QIVXRZLXQYXXSY-MRVPVSSYSA-N -1 0 338.364 3.563 20 0 EHADRM Cc1ccc(C(=O)O[C@@H](C)c2nc3ccccc3[nH]2)cc1NC(=O)[O-] ZINC000830237087 604247550 /nfs/dbraw/zinc/24/75/50/604247550.db2.gz GITBJAREDKRJHK-NSHDSACASA-N -1 0 339.351 3.879 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)[C@H]2CCCc3ccccc32)cc1 ZINC000740017691 604254253 /nfs/dbraw/zinc/25/42/53/604254253.db2.gz TXZAQCUMPZMURJ-SFHVURJKSA-N -1 0 338.407 3.555 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1cccc(-c2nccs2)c1 ZINC000832847054 604286366 /nfs/dbraw/zinc/28/63/66/604286366.db2.gz GWJDADDTJSRVDW-UHFFFAOYSA-N -1 0 341.392 3.706 20 0 EHADRM CC[C@@H](C)Oc1ccc(NC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)cc1 ZINC000828765042 604292952 /nfs/dbraw/zinc/29/29/52/604292952.db2.gz SZTWRUDRSNUXNL-SNVBAGLBSA-N -1 0 330.384 3.759 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])c(F)c2)[C@@H]1c1cccc(F)c1 ZINC000828284087 604297734 /nfs/dbraw/zinc/29/77/34/604297734.db2.gz CENBUNQJWMBANI-DIFFPNOSSA-N -1 0 345.345 3.886 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)C[C@@H](C)[C@H]2CCCN(C(=O)[O-])C2)s1 ZINC000830251314 604317841 /nfs/dbraw/zinc/31/78/41/604317841.db2.gz OHICKMXDXIWVKR-XBFCOCLRSA-N -1 0 338.473 3.650 20 0 EHADRM CCSCc1cccc(NC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)c1 ZINC000737893553 604320381 /nfs/dbraw/zinc/32/03/81/604320381.db2.gz KTWMTZSLBYFKGC-UHFFFAOYSA-N -1 0 332.425 3.835 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(C(=O)[O-])c(F)c2)c2cc(Cl)ccc2O1 ZINC000828393036 604328226 /nfs/dbraw/zinc/32/82/26/604328226.db2.gz GBBMMLCRKQDBTA-VIFPVBQESA-N -1 0 349.745 3.605 20 0 EHADRM C[C@H](CC(=O)N1CCc2ccccc2[C@H]1C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824607282 604341704 /nfs/dbraw/zinc/34/17/04/604341704.db2.gz WUBMVTBXAUXMGY-INMHGKMJSA-N -1 0 344.455 3.549 20 0 EHADRM Cc1ccc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)c(Cl)n1 ZINC000832912563 604372447 /nfs/dbraw/zinc/37/24/47/604372447.db2.gz SQSJPWMZCNXKHA-UHFFFAOYSA-N -1 0 346.814 3.551 20 0 EHADRM Cc1ccc(CC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1 ZINC000832927861 604374109 /nfs/dbraw/zinc/37/41/09/604374109.db2.gz CQLQCHVCRPBEOF-GOSISDBHSA-N -1 0 325.408 3.506 20 0 EHADRM CCOCCC1(C(=O)Oc2ccc(N(C)C(=O)[O-])cc2)CCCC1 ZINC000827393962 604383854 /nfs/dbraw/zinc/38/38/54/604383854.db2.gz JGSHTJGRQCWFMQ-UHFFFAOYSA-N -1 0 335.400 3.693 20 0 EHADRM Cc1cc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])sc1C ZINC000832863973 604386231 /nfs/dbraw/zinc/38/62/31/604386231.db2.gz ZDKZFJGQBSZRLI-HNNXBMFYSA-N -1 0 331.437 3.947 20 0 EHADRM Cc1cccc(-c2cncc(C(=O)N3CCCC[C@@H]3CC(=O)[O-])c2)c1 ZINC000683325067 604388503 /nfs/dbraw/zinc/38/85/03/604388503.db2.gz LOLYPXPLIDUFTG-GOSISDBHSA-N -1 0 338.407 3.526 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1ccnc2ccccc21)c1ccccc1 ZINC000826105868 604392448 /nfs/dbraw/zinc/39/24/48/604392448.db2.gz LGAHQKOACBTWTG-SFHVURJKSA-N -1 0 348.402 3.817 20 0 EHADRM CSc1ccccc1C(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC000262066364 604393676 /nfs/dbraw/zinc/39/36/76/604393676.db2.gz JPRPZMPQUMEMQZ-UHFFFAOYSA-N -1 0 343.448 3.916 20 0 EHADRM COc1cccc(C[C@H](OC(=O)[C@@H](C)CC(=O)[O-])c2ccccc2)c1 ZINC000832546016 604415093 /nfs/dbraw/zinc/41/50/93/604415093.db2.gz RWXYKXALFDDZCZ-KSSFIOAISA-N -1 0 342.391 3.633 20 0 EHADRM CC1(C)C[C@@H](NC(=O)NCc2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC000828056703 604421168 /nfs/dbraw/zinc/42/11/68/604421168.db2.gz VUTHVGYPYBLJDV-QGZVFWFLSA-N -1 0 338.407 3.607 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccnc2ccccc21 ZINC000829025377 604428838 /nfs/dbraw/zinc/42/88/38/604428838.db2.gz BJUOCSXJMMHQHK-LJQANCHMSA-N -1 0 348.402 3.913 20 0 EHADRM COCCC1(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])CCCC1 ZINC000828940890 604456136 /nfs/dbraw/zinc/45/61/36/604456136.db2.gz CPMPAFREVXTLAI-UHFFFAOYSA-N -1 0 346.427 3.653 20 0 EHADRM COc1cccc2c1CCCCN2C(=O)c1cccc(NC(=O)[O-])c1 ZINC000833736007 604468576 /nfs/dbraw/zinc/46/85/76/604468576.db2.gz RPQGWQGHGJYDDU-UHFFFAOYSA-N -1 0 340.379 3.768 20 0 EHADRM CC(C)(C)O[C@@H](C(=O)Oc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000833446417 604469238 /nfs/dbraw/zinc/46/92/38/604469238.db2.gz ZVHRAVAVQQHRRZ-MRXNPFEDSA-N -1 0 328.364 3.847 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@H]1CC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000314959035 604477123 /nfs/dbraw/zinc/47/71/23/604477123.db2.gz MKSLHJBOXFRNRA-KOLCDFICSA-N -1 0 345.226 3.703 20 0 EHADRM CC(C)[C@H](NC(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccc(Cl)cc1 ZINC000826698898 604480094 /nfs/dbraw/zinc/48/00/94/604480094.db2.gz ASODWSXUUUFYTR-ZBFHGGJFSA-N -1 0 338.835 3.686 20 0 EHADRM O=C([O-])c1csc(NC(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)c1 ZINC000833343067 604486750 /nfs/dbraw/zinc/48/67/50/604486750.db2.gz VNFIKYUIEVGBGD-GFCCVEGCSA-N -1 0 348.399 3.682 20 0 EHADRM CC(C)CCOC1CCN(C(=O)Nc2cc(C(=O)[O-])cs2)CC1 ZINC000826856041 604487366 /nfs/dbraw/zinc/48/73/66/604487366.db2.gz WYMJJMNOGDQFOX-UHFFFAOYSA-N -1 0 340.445 3.505 20 0 EHADRM CCOc1ccc([C@H](C)NC(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000830064128 604500053 /nfs/dbraw/zinc/50/00/53/604500053.db2.gz NYLGRWAGTHJBDE-JTQLQIEISA-N -1 0 334.397 3.728 20 0 EHADRM CSc1cc(C)ccc1CNC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000832774578 604503534 /nfs/dbraw/zinc/50/35/34/604503534.db2.gz QAEPSUIFRGHSCO-UHFFFAOYSA-N -1 0 336.438 3.798 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@H]1CC(=O)[O-])c1cc(Cl)ccc1Cl ZINC000827654090 604504652 /nfs/dbraw/zinc/50/46/52/604504652.db2.gz YGIYACQHDHKWIX-KOLCDFICSA-N -1 0 345.226 3.703 20 0 EHADRM Cc1ccccc1C1(CNC(=O)Nc2cc(C(=O)[O-])cs2)CC1 ZINC000832981330 604507628 /nfs/dbraw/zinc/50/76/28/604507628.db2.gz GYCHUEOUEURWPK-UHFFFAOYSA-N -1 0 330.409 3.608 20 0 EHADRM COCCN(C(=O)Nc1cc(C(=O)[O-])cs1)[C@H](C)c1ccccc1 ZINC000831709658 604507727 /nfs/dbraw/zinc/50/77/27/604507727.db2.gz DCPHSGLYRCHDJL-GFCCVEGCSA-N -1 0 348.424 3.688 20 0 EHADRM CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000830157977 604520623 /nfs/dbraw/zinc/52/06/23/604520623.db2.gz PYAAAPXWIOOYHQ-QWRGUYRKSA-N -1 0 328.459 3.632 20 0 EHADRM CC(C)c1ccc(C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)cn1 ZINC000827113055 604541748 /nfs/dbraw/zinc/54/17/48/604541748.db2.gz UWIOUHXCLXSIAK-UHFFFAOYSA-N -1 0 346.814 3.585 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2ccc(F)cc2Cl)oc1C(=O)[O-] ZINC000832873545 604545131 /nfs/dbraw/zinc/54/51/31/604545131.db2.gz DEWFNLZFUOSDGH-QMMMGPOBSA-N -1 0 326.707 3.997 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2c(F)cccc2Cl)oc1C(=O)[O-] ZINC000832870930 604546110 /nfs/dbraw/zinc/54/61/10/604546110.db2.gz DCZFQSGPLATZFZ-QMMMGPOBSA-N -1 0 326.707 3.997 20 0 EHADRM Cc1cc([C@H](C)OC(=O)COc2ccc(Cl)cc2)oc1C(=O)[O-] ZINC000832870657 604546497 /nfs/dbraw/zinc/54/64/97/604546497.db2.gz BGCKQVKFLKZZRA-JTQLQIEISA-N -1 0 338.743 3.623 20 0 EHADRM CCO[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(NC(=O)[O-])cc2)C12CCC2 ZINC000827378320 604548898 /nfs/dbraw/zinc/54/88/98/604548898.db2.gz GHCQPWBCYXLERW-CABCVRRESA-N -1 0 347.415 3.588 20 0 EHADRM CC(C)Oc1cccc(CN(C)C(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000833507472 604552590 /nfs/dbraw/zinc/55/25/90/604552590.db2.gz OPNAATRKRJGEKB-UHFFFAOYSA-N -1 0 342.395 3.836 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000828874210 604554780 /nfs/dbraw/zinc/55/47/80/604554780.db2.gz AXIBGVUTCWORSB-UHFFFAOYSA-N -1 0 344.415 3.606 20 0 EHADRM CCC(=O)Nc1cccc(C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)c1 ZINC000828570595 604568237 /nfs/dbraw/zinc/56/82/37/604568237.db2.gz NJEXUZOBQJOBOC-NSHDSACASA-N -1 0 345.351 3.553 20 0 EHADRM CC(C)[C@H](C(=O)Nc1cccc(CC(=O)[O-])c1)c1ccc(F)cc1 ZINC000833466124 604569371 /nfs/dbraw/zinc/56/93/71/604569371.db2.gz STSLCMWHHIYACN-SFHVURJKSA-N -1 0 329.371 3.831 20 0 EHADRM COc1ccc(CCCC(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC000832300040 604576670 /nfs/dbraw/zinc/57/66/70/604576670.db2.gz VXESIVZUETZFCG-CYBMUJFWSA-N -1 0 346.379 3.922 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2cc3nc(C)ccc3o2)oc1C(=O)[O-] ZINC000832960037 604582008 /nfs/dbraw/zinc/58/20/08/604582008.db2.gz LPSYCXCVSVEBSQ-SNVBAGLBSA-N -1 0 329.308 3.654 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)[C@@H]2CSc3ccccc32)oc1C(=O)[O-] ZINC000832873985 604587822 /nfs/dbraw/zinc/58/78/22/604587822.db2.gz JGLZOKUJNFKGTF-ZYHUDNBSSA-N -1 0 332.377 3.780 20 0 EHADRM Cc1cc([C@H](C)OC(=O)Cc2c[nH]c3c2cccc3C)oc1C(=O)[O-] ZINC000832872520 604589411 /nfs/dbraw/zinc/58/94/11/604589411.db2.gz PPLJIXXTWITTJK-LBPRGKRZSA-N -1 0 341.363 3.923 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2coc(-c3ccccc3)n2)oc1C(=O)[O-] ZINC000832874713 604589915 /nfs/dbraw/zinc/58/99/15/604589915.db2.gz PKWLMZUBHOLQMG-NSHDSACASA-N -1 0 341.319 3.859 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)NC2(Cc3ccccc3)CCC2)cc1 ZINC000832841076 604594227 /nfs/dbraw/zinc/59/42/27/604594227.db2.gz QJFFRDSGKCXJRY-UHFFFAOYSA-N -1 0 338.407 3.601 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)[O-] ZINC000828728294 604598928 /nfs/dbraw/zinc/59/89/28/604598928.db2.gz JDHHATMXKLOPJP-SJKOYZFVSA-N -1 0 345.370 3.847 20 0 EHADRM CC(C)[C@@H](C)N(C(=O)NCc1ccc([C@@H](C)NC(=O)[O-])cc1)C1CC1 ZINC000825382489 604619931 /nfs/dbraw/zinc/61/99/31/604619931.db2.gz FEYTVXRDDVJASS-ZIAGYGMSSA-N -1 0 347.459 3.734 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)N3CCC[C@H]3CC(=O)[O-])cc2s1 ZINC000827153285 604624527 /nfs/dbraw/zinc/62/45/27/604624527.db2.gz QMBARVVUODMPKS-LBPRGKRZSA-N -1 0 347.440 3.891 20 0 EHADRM CCc1ccccc1C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC000830276562 604640266 /nfs/dbraw/zinc/64/02/66/604640266.db2.gz IHOQURZUDRGQET-UHFFFAOYSA-N -1 0 341.392 3.651 20 0 EHADRM O=C([O-])c1cccc(NC2CCN(c3ccnc(Cl)c3)CC2)c1 ZINC000833331345 604640768 /nfs/dbraw/zinc/64/07/68/604640768.db2.gz CGHKHENFPUOPDB-UHFFFAOYSA-N -1 0 331.803 3.514 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(F)c(Cl)c1)c1ccc(F)cc1 ZINC000833198951 604672140 /nfs/dbraw/zinc/67/21/40/604672140.db2.gz NFCSXRURBKHIRG-CQSZACIVSA-N -1 0 339.725 3.564 20 0 EHADRM O=C([O-])CCCc1nc(CN2CCC[C@H]2CCC2CCCCC2)no1 ZINC000652431183 604674540 /nfs/dbraw/zinc/67/45/40/604674540.db2.gz ZEBJTHHBHFFFAS-INIZCTEOSA-N -1 0 349.475 3.802 20 0 EHADRM CCc1nc2sccc2c(NCCc2ccc(NC(=O)[O-])cc2)n1 ZINC000833676064 604675493 /nfs/dbraw/zinc/67/54/93/604675493.db2.gz YRWQFQAKXQRNLN-UHFFFAOYSA-N -1 0 342.424 3.998 20 0 EHADRM CCCCC[C@@H](NC(=O)N1CCC[C@H]1CC(=O)[O-])c1ccccc1 ZINC000829327165 604685029 /nfs/dbraw/zinc/68/50/29/604685029.db2.gz WNXNECKCLQKMNZ-DLBZAZTESA-N -1 0 332.444 3.957 20 0 EHADRM CC(C)Cc1nc(C(=O)OCc2ccc(C(=O)[O-])cc2F)cs1 ZINC000833492281 604700984 /nfs/dbraw/zinc/70/09/84/604700984.db2.gz FBRCDTLPEIKNTE-UHFFFAOYSA-N -1 0 337.372 3.536 20 0 EHADRM Cc1cc([C@H](C)Sc2nccc(C(F)(F)F)n2)oc1C(=O)[O-] ZINC000832873692 604710433 /nfs/dbraw/zinc/71/04/33/604710433.db2.gz LFMYKOPHLXJLRF-ZETCQYMHSA-N -1 0 332.303 3.948 20 0 EHADRM CC(C)COc1ccccc1NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000262126912 604714342 /nfs/dbraw/zinc/71/43/42/604714342.db2.gz HBZWSOTXNXORDV-UHFFFAOYSA-N -1 0 327.380 3.601 20 0 EHADRM C[C@@H](c1ccco1)N(C(=O)CCc1ccccc1C(=O)[O-])C1CC1 ZINC000262233372 604717686 /nfs/dbraw/zinc/71/76/86/604717686.db2.gz XACLGXZKELHEKY-ZDUSSCGKSA-N -1 0 327.380 3.663 20 0 EHADRM CCCN(C(=O)Cc1cccc(C(=O)[O-])c1)[C@@H]1CCc2ccccc21 ZINC000833651530 604725583 /nfs/dbraw/zinc/72/55/83/604725583.db2.gz OFUCLFBFFINYNO-LJQANCHMSA-N -1 0 337.419 3.853 20 0 EHADRM CC(C)[C@H](c1ccccc1)N(C)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000262145087 604743559 /nfs/dbraw/zinc/74/35/59/604743559.db2.gz IYBJMOFBYXYJKL-LJQANCHMSA-N -1 0 325.408 3.783 20 0 EHADRM Cc1c(NC(=O)c2ccccc2NC(=O)[O-])cnn1-c1ccccc1 ZINC000832855845 604747637 /nfs/dbraw/zinc/74/76/37/604747637.db2.gz IUPZJSXUTVTRLL-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM CCCc1nnc(SCCOc2ccc(C(=O)[O-])cc2Cl)o1 ZINC000829574183 604748601 /nfs/dbraw/zinc/74/86/01/604748601.db2.gz SHNBYXMNNRFNKM-UHFFFAOYSA-N -1 0 342.804 3.545 20 0 EHADRM C[C@@H](Sc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1)C(=O)[O-] ZINC000827922726 604750851 /nfs/dbraw/zinc/75/08/51/604750851.db2.gz XGRBYHFWIHLVDO-SECBINFHSA-N -1 0 349.799 3.746 20 0 EHADRM CC(C)(NC(=O)Cc1cccc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC000537473138 604753584 /nfs/dbraw/zinc/75/35/84/604753584.db2.gz LHQYJUJIWOIGHT-UHFFFAOYSA-N -1 0 331.799 3.632 20 0 EHADRM CC(C)CCc1noc(CSCc2ccc(C(=O)[O-])cc2F)n1 ZINC000833484831 604754442 /nfs/dbraw/zinc/75/44/42/604754442.db2.gz WZYNIVNSAWQKND-UHFFFAOYSA-N -1 0 338.404 3.929 20 0 EHADRM CC(C)(C)OC(=O)c1cccc(C(=O)Nc2ccsc2C(=O)[O-])c1 ZINC000833443906 604754724 /nfs/dbraw/zinc/75/47/24/604754724.db2.gz DVWZIVFMRNEWRX-UHFFFAOYSA-N -1 0 347.392 3.654 20 0 EHADRM COc1ccccc1[C@@H](N[C@@H](C(=O)[O-])c1ccccc1)c1ccco1 ZINC000832594968 604771000 /nfs/dbraw/zinc/77/10/00/604771000.db2.gz JBHYQBLHVYTMEL-RTBURBONSA-N -1 0 337.375 3.793 20 0 EHADRM O=C([O-])c1occc1CNc1cc(F)ccc1OCC(F)(F)F ZINC000833785442 604778892 /nfs/dbraw/zinc/77/88/92/604778892.db2.gz VVDGXBPEFYDOFG-UHFFFAOYSA-N -1 0 333.237 3.670 20 0 EHADRM C[C@@H]1CC/C(=C\C(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)C1 ZINC000828201296 604790124 /nfs/dbraw/zinc/79/01/24/604790124.db2.gz QSICEWLZTRWGOU-FQZGENGWSA-N -1 0 342.439 3.534 20 0 EHADRM CC(C)c1ccc(NCC(=O)NCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000827124967 604796322 /nfs/dbraw/zinc/79/63/22/604796322.db2.gz VIHBFRXQJCEDPQ-UHFFFAOYSA-N -1 0 341.411 3.628 20 0 EHADRM CC(C)Sc1ccccc1C(=O)Nc1cccc(C(=O)[O-])c1O ZINC000833508235 604798785 /nfs/dbraw/zinc/79/87/85/604798785.db2.gz OSJTZBRQJSGADR-UHFFFAOYSA-N -1 0 331.393 3.843 20 0 EHADRM Cc1nc2ccc(NC(=O)c3ccc(C(=O)[O-])c(F)c3)cc2s1 ZINC000833005450 604804285 /nfs/dbraw/zinc/80/42/85/604804285.db2.gz BCCMREHJSDYWIL-UHFFFAOYSA-N -1 0 330.340 3.694 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000262108561 604813950 /nfs/dbraw/zinc/81/39/50/604813950.db2.gz FGADGEPUCFXTRJ-UHFFFAOYSA-N -1 0 337.419 3.538 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCC2(c3ccc(F)cc3)CCC2)cc1F ZINC000833141026 604817904 /nfs/dbraw/zinc/81/79/04/604817904.db2.gz SNIGHMIGVPVSOE-UHFFFAOYSA-N -1 0 345.345 3.515 20 0 EHADRM CC(C)n1ncc2ccc(NC(=O)c3ccc(C(=O)[O-])c(F)c3)cc21 ZINC000827206949 604818877 /nfs/dbraw/zinc/81/88/77/604818877.db2.gz GEMMJSGJPMGVSS-UHFFFAOYSA-N -1 0 341.342 3.707 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)c1ccccc1CCC(F)(F)F ZINC000833486963 604820030 /nfs/dbraw/zinc/82/00/30/604820030.db2.gz XFLPVFMGSZPGSW-UHFFFAOYSA-N -1 0 345.361 3.754 20 0 EHADRM CCn1c2ccc(Cl)cc2nc1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833683307 604820240 /nfs/dbraw/zinc/82/02/40/604820240.db2.gz HXDNQZSTESDELV-GHMZBOCLSA-N -1 0 349.818 3.539 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)cc1F ZINC000833132051 604824564 /nfs/dbraw/zinc/82/45/64/604824564.db2.gz QHVIHCIJSQQWKH-KDOFPFPSSA-N -1 0 341.382 3.665 20 0 EHADRM Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccccc1NC(=O)[O-] ZINC000830691864 604824625 /nfs/dbraw/zinc/82/46/25/604824625.db2.gz SDHWIOMVGKNDGE-UHFFFAOYSA-N -1 0 348.362 3.794 20 0 EHADRM C[C@@H](CSCc1ccccc1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000827580497 604827512 /nfs/dbraw/zinc/82/75/12/604827512.db2.gz CWROACYVNRVEEJ-AWEZNQCLSA-N -1 0 343.448 3.822 20 0 EHADRM Cc1cc(C)cc(CCC(=O)N[C@H](CC(=O)[O-])c2cccs2)c1 ZINC000683299843 604836048 /nfs/dbraw/zinc/83/60/48/604836048.db2.gz CTFMJCJDFMZDCE-OAHLLOKOSA-N -1 0 331.437 3.630 20 0 EHADRM CC(C)(C)C1=CCN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC000326557949 604842001 /nfs/dbraw/zinc/84/20/01/604842001.db2.gz CQOMOQULAYYJIC-UHFFFAOYSA-N -1 0 338.354 3.873 20 0 EHADRM CCCCn1ncc(NC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)c1C ZINC000829446778 604845032 /nfs/dbraw/zinc/84/50/32/604845032.db2.gz FXHZRNNONSAHMA-UHFFFAOYSA-N -1 0 345.403 3.750 20 0 EHADRM Cc1ccccc1-c1cnc(CN2CCc3ccc(C(=O)[O-])cc3C2)o1 ZINC000833752986 604848936 /nfs/dbraw/zinc/84/89/36/604848936.db2.gz IPKPUPIPCJLLHB-UHFFFAOYSA-N -1 0 348.402 3.907 20 0 EHADRM CC(=O)C(C)(C)CCC(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000833387686 604854209 /nfs/dbraw/zinc/85/42/09/604854209.db2.gz KDASLGULLWHBRP-UHFFFAOYSA-N -1 0 347.436 3.611 20 0 EHADRM C[C@@H](C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1F ZINC000669434660 604861552 /nfs/dbraw/zinc/86/15/52/604861552.db2.gz IRZLIKMZXVYZFG-IUODEOHRSA-N -1 0 327.355 3.534 20 0 EHADRM O=C([O-])CCN(C(=O)[C@@H]1CCCc2sccc21)c1cccc(F)c1 ZINC000833232021 604866844 /nfs/dbraw/zinc/86/68/44/604866844.db2.gz IQCHTTGQNVMGGZ-OAHLLOKOSA-N -1 0 347.411 3.815 20 0 EHADRM C[C@@H](CC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000540667055 604870505 /nfs/dbraw/zinc/87/05/05/604870505.db2.gz RVSVIISVGMXUDD-GTNSWQLSSA-N -1 0 349.789 3.915 20 0 EHADRM O=C([O-])c1ccc(C(=O)Oc2ccc(C(F)(F)F)cc2)cc1F ZINC000833352923 604879748 /nfs/dbraw/zinc/87/97/48/604879748.db2.gz DPUSKRZGUJNPRF-UHFFFAOYSA-N -1 0 328.217 3.762 20 0 EHADRM CC1=C(C(=O)[O-])C[C@@H](CSc2ncc(-c3ccc(F)cc3)o2)O1 ZINC000833580759 604887930 /nfs/dbraw/zinc/88/79/30/604887930.db2.gz IXQXLSDYZACWEG-LBPRGKRZSA-N -1 0 335.356 3.720 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc3sccc3c2)C1 ZINC000386193123 604888095 /nfs/dbraw/zinc/88/80/95/604888095.db2.gz CGLZJXCDFHMLBZ-CQSZACIVSA-N -1 0 331.437 3.864 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)CCSc2ccccc2)C1 ZINC000321984855 604888468 /nfs/dbraw/zinc/88/84/68/604888468.db2.gz DDEDVFCBYKLTFU-AWEZNQCLSA-N -1 0 335.469 3.518 20 0 EHADRM C[C@]1(NC(=O)c2cc(Cl)sc2Cl)CCCC[C@@H]1C(=O)[O-] ZINC000262879611 604889009 /nfs/dbraw/zinc/88/90/09/604889009.db2.gz VTYJKRIAGKGUIN-OQPBUACISA-N -1 0 336.240 3.818 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2Cl)C1 ZINC000317357553 604889594 /nfs/dbraw/zinc/88/95/94/604889594.db2.gz ZFIGYNJTDXWTQZ-SNVBAGLBSA-N -1 0 344.238 3.956 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC000649364874 604889940 /nfs/dbraw/zinc/88/99/40/604889940.db2.gz UJCXKOKGXYWTJR-IAGOWNOFSA-N -1 0 329.440 3.530 20 0 EHADRM C[C@]1(NC(=O)Cc2ccc3ccccc3c2)CCCC[C@H]1C(=O)[O-] ZINC000262807609 604890042 /nfs/dbraw/zinc/89/00/42/604890042.db2.gz OMONYIOOYKDREW-PXNSSMCTSA-N -1 0 325.408 3.532 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc(OC3CCC3)cc2)C1 ZINC000833417626 604891382 /nfs/dbraw/zinc/89/13/82/604891382.db2.gz AXDMLRHSXLSEGT-OAHLLOKOSA-N -1 0 345.439 3.581 20 0 EHADRM C/C(=C\C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccc(F)cc1 ZINC000777402192 604895096 /nfs/dbraw/zinc/89/50/96/604895096.db2.gz XWVUXHNIILJOBU-FQNOHDAGSA-N -1 0 333.403 3.578 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c(Cl)cc1F ZINC000679106248 604895148 /nfs/dbraw/zinc/89/51/48/604895148.db2.gz XXDFOEILOFRVBN-LLVKDONJSA-N -1 0 341.810 3.751 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@]2(C)CCc3ccccc3C2)C1 ZINC000833553138 604895846 /nfs/dbraw/zinc/89/58/46/604895846.db2.gz OJBZGUPDWKRBEZ-UTKZUKDTSA-N -1 0 343.467 3.531 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000320846135 604910502 /nfs/dbraw/zinc/91/05/02/604910502.db2.gz GXJGTESDQLRXST-UHFFFAOYSA-N -1 0 330.727 3.740 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1F ZINC000833309733 604925556 /nfs/dbraw/zinc/92/55/56/604925556.db2.gz KWFGUXSQVZPDJU-INIZCTEOSA-N -1 0 331.318 3.640 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)[C@H]1CCc2ccccc21 ZINC000262132494 604930887 /nfs/dbraw/zinc/93/08/87/604930887.db2.gz INYJIBOYDFCORF-IBGZPJMESA-N -1 0 337.419 3.610 20 0 EHADRM Cc1ccccc1CCC(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC000237719454 604934526 /nfs/dbraw/zinc/93/45/26/604934526.db2.gz WFPHMASHXBXGIW-UHFFFAOYSA-N -1 0 339.435 3.821 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1cnc(C2CC2)s1 ZINC000539686873 604935729 /nfs/dbraw/zinc/93/57/29/604935729.db2.gz MXUPRQIIXNWILP-UHFFFAOYSA-N -1 0 344.436 3.528 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CCCc1cc(F)ccc1F ZINC000450514322 604943597 /nfs/dbraw/zinc/94/35/97/604943597.db2.gz YVVFQTNKNVXWBR-UHFFFAOYSA-N -1 0 347.361 3.644 20 0 EHADRM CC1(C(=O)Nc2cc(Br)cc(C(=O)[O-])c2Cl)CCC1 ZINC000833552736 604944638 /nfs/dbraw/zinc/94/46/38/604944638.db2.gz IYJPOCLNPNYIOD-UHFFFAOYSA-N -1 0 346.608 3.929 20 0 EHADRM CC(C)Cc1ccc([C@@H](C)C(=O)N2CCC(CC(=O)[O-])CC2)cc1 ZINC000833493053 604948161 /nfs/dbraw/zinc/94/81/61/604948161.db2.gz IWMUEXSJUKSBLJ-OAHLLOKOSA-N -1 0 331.456 3.702 20 0 EHADRM C/C=C(/C=C/C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1)CC ZINC000828540933 604954936 /nfs/dbraw/zinc/95/49/36/604954936.db2.gz AVQBXTWXKSLPNR-XUBVAWOGSA-N -1 0 342.439 3.700 20 0 EHADRM CCC1CCC(N(C)C(=O)Nc2nc(CCC(=O)[O-])cs2)CC1 ZINC000829081581 604975879 /nfs/dbraw/zinc/97/58/79/604975879.db2.gz PBQOVCHQHQSTOO-UHFFFAOYSA-N -1 0 339.461 3.593 20 0 EHADRM CC(C)CN(CC(C)(C)C)C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000826871340 604981328 /nfs/dbraw/zinc/98/13/28/604981328.db2.gz SZADCYNHOPXGHY-UHFFFAOYSA-N -1 0 341.477 3.696 20 0 EHADRM CC(C)c1ccc(NC(=O)Nc2nc(CCC(=O)[O-])cs2)cc1 ZINC000827125145 604987207 /nfs/dbraw/zinc/98/72/07/604987207.db2.gz YBZKVQMTGFGTQO-UHFFFAOYSA-N -1 0 333.413 3.928 20 0 EHADRM CCCOc1ccccc1NC(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000829541282 604990584 /nfs/dbraw/zinc/99/05/84/604990584.db2.gz KCRAPLPMEWHMIF-UHFFFAOYSA-N -1 0 349.412 3.593 20 0 EHADRM O=C([O-])[C@H](Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cccnc1 ZINC000833171449 604992431 /nfs/dbraw/zinc/99/24/31/604992431.db2.gz YILLPZZVRZJEII-QGZVFWFLSA-N -1 0 340.379 3.751 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2[nH]c3ccccc3c2Cl)C1 ZINC000679106765 604999435 /nfs/dbraw/zinc/99/94/35/604999435.db2.gz VQAVUISLSSOSMM-LLVKDONJSA-N -1 0 348.830 3.784 20 0 EHADRM Cc1scc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)c1C ZINC000833759048 605005734 /nfs/dbraw/zinc/00/57/34/605005734.db2.gz IYKPVRXBOSTSCL-UHFFFAOYSA-N -1 0 344.436 3.916 20 0 EHADRM CCOc1cc(C(=O)N(Cc2ccccc2)[C@@H](C)C(=O)[O-])ccc1C ZINC000833661666 605026916 /nfs/dbraw/zinc/02/69/16/605026916.db2.gz UVZFKMKEJJPXOG-HNNXBMFYSA-N -1 0 341.407 3.509 20 0 EHADRM Cc1ccccc1-c1cnc(COC(=O)CC(C)(C)CC(=O)[O-])o1 ZINC000833753410 605033558 /nfs/dbraw/zinc/03/35/58/605033558.db2.gz ULTGFOXQECISFB-UHFFFAOYSA-N -1 0 331.368 3.584 20 0 EHADRM CCC[C@H](C(=O)O[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C)C(C)C ZINC000833647530 605036506 /nfs/dbraw/zinc/03/65/06/605036506.db2.gz GIKHGQLEWBRQRX-HIFRSBDPSA-N -1 0 349.427 3.636 20 0 EHADRM C[C@H](C(=O)N1CCCc2c(C(=O)[O-])cccc21)c1c(F)cccc1F ZINC000833404837 605042626 /nfs/dbraw/zinc/04/26/26/605042626.db2.gz UYRIBBAGOLJQFK-NSHDSACASA-N -1 0 345.345 3.746 20 0 EHADRM CC(C)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])no1 ZINC000833509298 605042939 /nfs/dbraw/zinc/04/29/39/605042939.db2.gz KPPCIJSLOPUOIT-UHFFFAOYSA-N -1 0 342.273 3.767 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)N2CCSC[C@H]2CC(=O)[O-])cc1 ZINC000581347342 605045159 /nfs/dbraw/zinc/04/51/59/605045159.db2.gz XABUIZLUUCJBNI-CWIOURORSA-N -1 0 347.480 3.632 20 0 EHADRM CC(C)[C@H](C(=O)OCc1ccccc1CC(=O)[O-])c1ccccc1 ZINC000833466075 605056147 /nfs/dbraw/zinc/05/61/47/605056147.db2.gz QZTNUSRZVCKYQN-IBGZPJMESA-N -1 0 326.392 3.797 20 0 EHADRM C[C@H](OC(=O)C1CCC(C(=O)[O-])CC1)c1ccc(F)c(Cl)c1 ZINC000833530626 605076333 /nfs/dbraw/zinc/07/63/33/605076333.db2.gz ZBUZSCXBHVZRIG-WHXUTIOJSA-N -1 0 328.767 3.974 20 0 EHADRM Cc1c(NC(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])cccc1N(C)C ZINC000833742555 605081157 /nfs/dbraw/zinc/08/11/57/605081157.db2.gz UTTXEBNBEMNWDF-GOEBONIOSA-N -1 0 347.459 3.606 20 0 EHADRM Cc1c(NC(=O)NC2CCC(OC(C)C)CC2)cccc1C(=O)[O-] ZINC000833741637 605094144 /nfs/dbraw/zinc/09/41/44/605094144.db2.gz DYGNRWSZWODYTM-UHFFFAOYSA-N -1 0 334.416 3.551 20 0 EHADRM CCC(CC)(CNC(=O)N1CCC[C@H]1c1ccc(F)cc1)C(=O)[O-] ZINC000424415329 605099118 /nfs/dbraw/zinc/09/91/18/605099118.db2.gz SJDAXHXEULIICZ-HNNXBMFYSA-N -1 0 336.407 3.563 20 0 EHADRM C[C@@H](OC(=O)C1CCC(C(=O)[O-])CC1)c1nc2ccccc2s1 ZINC000833525984 605117396 /nfs/dbraw/zinc/11/73/96/605117396.db2.gz DFPZKFURTOLWCO-VOMCLLRMSA-N -1 0 333.409 3.792 20 0 EHADRM C[C@@H]1CC[C@@H](NC(=O)NC2CCC(C(=O)[O-])CC2)c2ccccc21 ZINC000263239469 605122399 /nfs/dbraw/zinc/12/23/99/605122399.db2.gz NOMRCFUWFUZUNN-QROZZAMVSA-N -1 0 330.428 3.568 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N1CCS[C@@H](c2ccccc2)C1 ZINC000833783730 605122802 /nfs/dbraw/zinc/12/28/02/605122802.db2.gz HJOUKHBPJXVIDZ-MRXNPFEDSA-N -1 0 342.420 3.707 20 0 EHADRM C[C@@H]1CC[C@@H](NC(=O)NCCCCCCC(=O)[O-])c2ccccc21 ZINC000833603614 605123618 /nfs/dbraw/zinc/12/36/18/605123618.db2.gz LYBIGOCDSQQJAZ-RHSMWYFYSA-N -1 0 332.444 3.959 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)C1CCC(C(=O)[O-])CC1 ZINC000630294216 605150669 /nfs/dbraw/zinc/15/06/69/605150669.db2.gz HAIUVQJSHRNFBZ-OCLKOUHBSA-N -1 0 329.440 3.671 20 0 EHADRM CC(C)(C)Oc1cc(F)ccc1NC(=O)NC1(CC(=O)[O-])CCC1 ZINC000649542097 605165817 /nfs/dbraw/zinc/16/58/17/605165817.db2.gz VHFSJBJRHBZWLH-UHFFFAOYSA-N -1 0 338.379 3.522 20 0 EHADRM CC(C)CCc1noc(CN[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])n1 ZINC000833483528 605178374 /nfs/dbraw/zinc/17/83/74/605178374.db2.gz ALIJNMPPEALSCF-KRWDZBQOSA-N -1 0 345.443 3.600 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NCc2cnoc2-c2ccco2)cc1 ZINC000833419387 605181174 /nfs/dbraw/zinc/18/11/74/605181174.db2.gz SRFLQWUFPLGJLM-UHFFFAOYSA-N -1 0 326.352 3.909 20 0 EHADRM CC(C)(C)O[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000833446198 605181314 /nfs/dbraw/zinc/18/13/14/605181314.db2.gz QQMAHIVQGRWFLP-KRWDZBQOSA-N -1 0 341.407 3.557 20 0 EHADRM CC(C)CCOc1ccc([C@@H](C)Nc2cncc(C(=O)[O-])n2)cc1 ZINC000833484470 605181708 /nfs/dbraw/zinc/18/17/08/605181708.db2.gz QIFHRHGAXXPEEG-CYBMUJFWSA-N -1 0 329.400 3.773 20 0 EHADRM CC(C)(C)SCCCC(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC000833447759 605182958 /nfs/dbraw/zinc/18/29/58/605182958.db2.gz VDRFXJMBQHLBMI-UHFFFAOYSA-N -1 0 335.469 3.976 20 0 EHADRM C[C@H]1CC/C(=C/C(=O)OCc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000833603907 605191053 /nfs/dbraw/zinc/19/10/53/605191053.db2.gz XCJVSSHJKWOEHA-VWLVURMCSA-N -1 0 341.363 3.829 20 0 EHADRM C[C@@H](Nc1ccc(CN(C)C(=O)[O-])cc1)c1ccc([S@](C)=O)cc1 ZINC000833525794 605218668 /nfs/dbraw/zinc/21/86/68/605218668.db2.gz QUFRIJUJKWQUPT-OZAJXLCCSA-N -1 0 346.452 3.707 20 0 EHADRM C[C@@H](Nc1ccc(CN(C)C(=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000833524769 605219124 /nfs/dbraw/zinc/21/91/24/605219124.db2.gz IPJAWEBOAHDQIA-CYBMUJFWSA-N -1 0 342.395 3.741 20 0 EHADRM CCO[C@H]1C[C@H](Nc2ccc(CN(C)C(=O)[O-])cc2)C12CCCC2 ZINC000833659898 605219989 /nfs/dbraw/zinc/21/99/89/605219989.db2.gz JBIZNHXTCLOHKC-IRXDYDNUSA-N -1 0 332.444 3.946 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)c1cccc([C@H]2CCCOC2)c1)C(=O)[O-] ZINC000833429385 605231039 /nfs/dbraw/zinc/23/10/39/605231039.db2.gz KGYBYWIBBKXCLV-JKSUJKDBSA-N -1 0 334.412 3.627 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)Cc1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000833428372 605232458 /nfs/dbraw/zinc/23/24/58/605232458.db2.gz QTSFUWFYAHJLFC-AWEZNQCLSA-N -1 0 347.436 3.785 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)c1csc(-c2cccs2)n1)C(=O)[O-] ZINC000833429074 605233842 /nfs/dbraw/zinc/23/38/42/605233842.db2.gz GTSRROOOCITOEM-SNVBAGLBSA-N -1 0 339.438 3.918 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)c1ccc([C@@H]2CCCOC2)cc1)C(=O)[O-] ZINC000833430010 605239418 /nfs/dbraw/zinc/23/94/18/605239418.db2.gz RRUPKOVUWUFWHN-HZPDHXFCSA-N -1 0 334.412 3.627 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000431462945 605240608 /nfs/dbraw/zinc/24/06/08/605240608.db2.gz FAIUORPDTLURKV-QAPCUYQASA-N -1 0 325.408 3.588 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2(Sc3ccccc3)CCCC2)cn1 ZINC000833782840 605256011 /nfs/dbraw/zinc/25/60/11/605256011.db2.gz QTMPPFLMWZNZPU-UHFFFAOYSA-N -1 0 342.420 3.823 20 0 EHADRM O=C([O-])N1CCC(Nc2ccc(COCc3ccccc3)cc2)CC1 ZINC000831964096 605258002 /nfs/dbraw/zinc/25/80/02/605258002.db2.gz RFGUZPUECQRQOO-UHFFFAOYSA-N -1 0 340.423 3.958 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000683303011 605258404 /nfs/dbraw/zinc/25/84/04/605258404.db2.gz YUOHCNRBSNMCPM-AAEUAGOBSA-N -1 0 343.345 3.569 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000630297689 605264031 /nfs/dbraw/zinc/26/40/31/605264031.db2.gz ANLNVMAOMIDFNF-NRFANRHFSA-N -1 0 343.467 3.774 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NCCCOc1ccc2ccccc2c1 ZINC000683322382 605264141 /nfs/dbraw/zinc/26/41/41/605264141.db2.gz LRDRFTBKKYDAHB-UHFFFAOYSA-N -1 0 343.423 3.616 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCCC[C@@H]1CCc1ccccc1 ZINC000683334661 605266056 /nfs/dbraw/zinc/26/60/56/605266056.db2.gz CXFSWLOZRVTKHF-QGZVFWFLSA-N -1 0 331.456 3.891 20 0 EHADRM CCn1c2ccc(C)cc2nc1NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000833684205 605274962 /nfs/dbraw/zinc/27/49/62/605274962.db2.gz SLYQFEPPJFDUFG-UHFFFAOYSA-N -1 0 338.367 3.707 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)CC2CCC(C(F)(F)F)CC2)cc1 ZINC000833776430 605291981 /nfs/dbraw/zinc/29/19/81/605291981.db2.gz IXFXXIAJPYSONE-UHFFFAOYSA-N -1 0 344.329 3.978 20 0 EHADRM C[C@H](Cc1noc(Cc2ccc(Cl)c(Cl)c2)n1)N(C)C(=O)[O-] ZINC000825047910 605305251 /nfs/dbraw/zinc/30/52/51/605305251.db2.gz MAPAWNSIDMJFAS-MRVPVSSYSA-N -1 0 344.198 3.508 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccsc1)c1ccc(C(F)(F)F)cc1 ZINC000833772917 605310758 /nfs/dbraw/zinc/31/07/58/605310758.db2.gz MIRZGOXHMJDEQK-GFCCVEGCSA-N -1 0 343.326 3.713 20 0 EHADRM Cc1noc(C2CC2)c1C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000833932894 605314961 /nfs/dbraw/zinc/31/49/61/605314961.db2.gz SRIXLNDWXZCVOO-UHFFFAOYSA-N -1 0 341.367 3.543 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2ccccc2OC(F)(F)F)cc1 ZINC000834257060 605315941 /nfs/dbraw/zinc/31/59/41/605315941.db2.gz XKAWANWZIDMZEP-UHFFFAOYSA-N -1 0 340.257 3.927 20 0 EHADRM O=C([O-])N1CCCN1C(=O)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000834112393 605317505 /nfs/dbraw/zinc/31/75/05/605317505.db2.gz WZRKMEHBFKTNIP-UHFFFAOYSA-N -1 0 345.786 3.507 20 0 EHADRM C[C@H](Cc1noc([C@@H]2C[C@H]2c2cccc(Cl)c2)n1)N(C)C(=O)[O-] ZINC000825042322 605320242 /nfs/dbraw/zinc/32/02/42/605320242.db2.gz UQKAJPHOPFURDJ-JIMOISOXSA-N -1 0 335.791 3.535 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(-c2ccccc2)o1)c1ccccc1 ZINC000833773461 605331430 /nfs/dbraw/zinc/33/14/30/605331430.db2.gz VTNGPTZFSJYWFL-INIZCTEOSA-N -1 0 335.359 3.892 20 0 EHADRM C[C@@H](OC(=O)CN(C)C(=O)[O-])c1ccc(SC(F)(F)F)cc1 ZINC000833529699 605369405 /nfs/dbraw/zinc/36/94/05/605369405.db2.gz PSZVZCGCNWUMDW-MRVPVSSYSA-N -1 0 337.319 3.513 20 0 EHADRM CN(C(=O)c1ccccc1C(C)(C)C)C1CCC(NC(=O)[O-])CC1 ZINC000827945489 605376662 /nfs/dbraw/zinc/37/66/62/605376662.db2.gz PSGQXQFJONFZBL-UHFFFAOYSA-N -1 0 332.444 3.635 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)[C@H]2CCCc3sccc32)c1 ZINC000832724895 605382188 /nfs/dbraw/zinc/38/21/88/605382188.db2.gz RNCDJGKJUSJYKC-AWEZNQCLSA-N -1 0 330.409 3.574 20 0 EHADRM C[C@@H]1CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C[C@@H]1F ZINC000833616158 605390755 /nfs/dbraw/zinc/39/07/55/605390755.db2.gz RYDWNDUHKITRAC-ABAIWWIYSA-N -1 0 334.416 3.688 20 0 EHADRM CCC(CC)[C@@H]1C[C@@H](NC(=O)Nc2cccc(NC(=O)[O-])c2)CCO1 ZINC000833642776 605396097 /nfs/dbraw/zinc/39/60/97/605396097.db2.gz SRUNXNWDDKYLRU-HOTGVXAUSA-N -1 0 349.431 3.882 20 0 EHADRM CCC(CC)[C@@H]1C[C@H](NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)CCO1 ZINC000833642732 605398087 /nfs/dbraw/zinc/39/80/87/605398087.db2.gz RLTLSXONWBRDHU-WBVHZDCISA-N -1 0 348.443 3.799 20 0 EHADRM O=C([O-])Nc1cc2ccccc2cc1C(=O)N1CCc2ncccc21 ZINC000832829579 605434290 /nfs/dbraw/zinc/43/42/90/605434290.db2.gz WCKNZNCJOKULBH-UHFFFAOYSA-N -1 0 333.347 3.528 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000833384455 605449523 /nfs/dbraw/zinc/44/95/23/605449523.db2.gz RADGMMWJNBTBHT-GKUQOKNUSA-N -1 0 345.345 3.619 20 0 EHADRM Cc1c(NC(=O)Nc2c[nH]nc2-c2ccccc2)cccc1C(=O)[O-] ZINC000833741620 605482850 /nfs/dbraw/zinc/48/28/50/605482850.db2.gz DGIMCHFLRLAZCM-UHFFFAOYSA-N -1 0 336.351 3.727 20 0 EHADRM CC(C)c1ccc([C@H](C)NC(=O)N2CC[C@@H](NC(=O)[O-])C[C@H]2C)cc1 ZINC000824463182 605496043 /nfs/dbraw/zinc/49/60/43/605496043.db2.gz CTTZWQZLDYIABX-JKIFEVAISA-N -1 0 347.459 3.701 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000669434119 605506186 /nfs/dbraw/zinc/50/61/86/605506186.db2.gz JUZYIHJVRDGQSJ-YJBOKZPZSA-N -1 0 337.419 3.779 20 0 EHADRM Cc1c[nH]c(-c2ccccc2NC(=O)c2cccc(NC(=O)[O-])c2)n1 ZINC000829889163 605519692 /nfs/dbraw/zinc/51/96/92/605519692.db2.gz OIFJIDBEQRVGLD-UHFFFAOYSA-N -1 0 336.351 3.727 20 0 EHADRM COc1ccc(NC(=O)c2ccc(NC(=O)[O-])c(C)c2)cc1Cl ZINC000829474409 605572324 /nfs/dbraw/zinc/57/23/24/605572324.db2.gz GVINDVPWXBRPCK-UHFFFAOYSA-N -1 0 334.759 3.999 20 0 EHADRM O=C([O-])Nc1ccc(CN2CCC[C@@H]2c2ccc(F)c(F)c2)cn1 ZINC000834260764 605600536 /nfs/dbraw/zinc/60/05/36/605600536.db2.gz XBAIYZPTJYTVPB-OAHLLOKOSA-N -1 0 333.338 3.787 20 0 EHADRM CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000621553738 605604898 /nfs/dbraw/zinc/60/48/98/605604898.db2.gz IZSQNUWICCBAIN-ZJUUUORDSA-N -1 0 347.333 3.947 20 0 EHADRM Cc1ccc(C(F)(F)C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000833749098 605629756 /nfs/dbraw/zinc/62/97/56/605629756.db2.gz MFBNYVIFIFHEMZ-OAHLLOKOSA-N -1 0 345.345 3.692 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCC[C@@H]2c2cccc(F)c2)c(O)c1 ZINC000834258122 605643449 /nfs/dbraw/zinc/64/34/49/605643449.db2.gz MAYFTWROOJRELK-OAHLLOKOSA-N -1 0 344.342 3.599 20 0 EHADRM Cc1nc(C(C)C)sc1[C@@H](C)OC(=O)C1CCN(C(=O)[O-])CC1 ZINC000833912811 605667415 /nfs/dbraw/zinc/66/74/15/605667415.db2.gz PKDFNUUJIGUNCL-LLVKDONJSA-N -1 0 340.445 3.569 20 0 EHADRM CN(Cc1ccccc1NC(=O)c1ccc(F)c(Cl)c1)C(=O)[O-] ZINC000828400061 605673465 /nfs/dbraw/zinc/67/34/65/605673465.db2.gz PAGKFAADWZCMLC-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM O=C([O-])NCc1cccc(NCc2cnc(-c3ccncc3)s2)c1 ZINC000834247057 605689040 /nfs/dbraw/zinc/68/90/40/605689040.db2.gz NDBRGYDRONHOAW-UHFFFAOYSA-N -1 0 340.408 3.585 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N1CC[C@H](c2cccc(F)c2)C1 ZINC000740041830 605695567 /nfs/dbraw/zinc/69/55/67/605695567.db2.gz VNPIMCWCEWULNG-ZDUSSCGKSA-N -1 0 328.343 3.545 20 0 EHADRM Cc1cc(C(=O)N2CC[C@H](Cc3ccccc3)C2)ccc1NC(=O)[O-] ZINC000829919509 605699671 /nfs/dbraw/zinc/69/96/71/605699671.db2.gz MLTLYQMLVBQJAR-MRXNPFEDSA-N -1 0 338.407 3.790 20 0 EHADRM Cc1ccc(CC[C@H](C)NC(=O)c2ccc(NC(=O)[O-])c(C)c2)o1 ZINC000830296992 605702431 /nfs/dbraw/zinc/70/24/31/605702431.db2.gz UUXLOHBIMMPKQK-LBPRGKRZSA-N -1 0 330.384 3.737 20 0 EHADRM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000833604791 605709678 /nfs/dbraw/zinc/70/96/78/605709678.db2.gz GUOIOLZDXSERGU-VHSXEESVSA-N -1 0 345.321 3.971 20 0 EHADRM C[C@@H](OCc1ccccc1)c1nc([C@H]2CCCCCN2C(=O)[O-])no1 ZINC000833895520 605719414 /nfs/dbraw/zinc/71/94/14/605719414.db2.gz DZWPQPFYFPZRAJ-UKRRQHHQSA-N -1 0 345.399 3.943 20 0 EHADRM CC(C)CCO[C@H](C)c1nc([C@H]2CCCCCN2C(=O)[O-])no1 ZINC000833794535 605721528 /nfs/dbraw/zinc/72/15/28/605721528.db2.gz PDMKJBSOXWJSIT-CHWSQXEVSA-N -1 0 325.409 3.788 20 0 EHADRM Cc1cncc(/C=C\c2nc([C@@H]3CCCCCN3C(=O)[O-])no2)c1 ZINC000833912922 605723611 /nfs/dbraw/zinc/72/36/11/605723611.db2.gz VEZNDDCJQMMTLV-AFNCTOJWSA-N -1 0 328.372 3.539 20 0 EHADRM O=C([O-])N1CC[C@H](Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)C1 ZINC000834053083 605735661 /nfs/dbraw/zinc/73/56/61/605735661.db2.gz QMORXVVRGJBWGF-AWEZNQCLSA-N -1 0 349.406 3.509 20 0 EHADRM Cc1ccc(C(=O)N2C[C@H](C(F)(F)F)CC[C@@H]2C)cc1NC(=O)[O-] ZINC000833902963 605769738 /nfs/dbraw/zinc/76/97/38/605769738.db2.gz URNFNXXEFCHLLN-CMPLNLGQSA-N -1 0 344.333 3.888 20 0 EHADRM Cc1coc(-c2cc(NC(=O)[C@@H](NC(=O)[O-])C(C)(C)C)ccc2C)n1 ZINC000830650648 605797504 /nfs/dbraw/zinc/79/75/04/605797504.db2.gz PGSQHEMKPNAYNG-CQSZACIVSA-N -1 0 345.399 3.579 20 0 EHADRM CC(C)OCc1ccc(C(=O)Oc2ccc(CC(=O)[O-])cc2F)cc1 ZINC000833505752 605803935 /nfs/dbraw/zinc/80/39/35/605803935.db2.gz RQWNZXARBHGXCE-UHFFFAOYSA-N -1 0 346.354 3.597 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)C/C=C\c2ccc(F)cc2)c(F)c1 ZINC000833775952 605805034 /nfs/dbraw/zinc/80/50/34/605805034.db2.gz DJZDAZNEFRVWQL-UPHRSURJSA-N -1 0 332.302 3.601 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)NC2(c3ccc(F)cc3)CCC2)c1 ZINC000834266309 605811130 /nfs/dbraw/zinc/81/11/30/605811130.db2.gz YPCHSQSVBFGVCO-UHFFFAOYSA-N -1 0 342.370 3.654 20 0 EHADRM C[C@@H](C(=O)OCc1cc(C(=O)[O-])ccc1F)c1c(F)cccc1F ZINC000833408568 605819180 /nfs/dbraw/zinc/81/91/80/605819180.db2.gz CYUQOROKIYQCFF-SECBINFHSA-N -1 0 338.281 3.649 20 0 EHADRM CCCN(C(=O)c1cc(C)c(CC)s1)C1CCN(C(=O)[O-])CC1 ZINC000826879254 605821180 /nfs/dbraw/zinc/82/11/80/605821180.db2.gz JKSAMVBZSSOWDT-UHFFFAOYSA-N -1 0 338.473 3.614 20 0 EHADRM O=C([O-])N1CCC2(C[C@H]2C(=O)Nc2cccc3ccsc32)CC1 ZINC000834056779 605855627 /nfs/dbraw/zinc/85/56/27/605855627.db2.gz VVDMDWCXRJOKSP-LBPRGKRZSA-N -1 0 330.409 3.620 20 0 EHADRM O=C([O-])NCCCCC(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000834234413 605902389 /nfs/dbraw/zinc/90/23/89/605902389.db2.gz FDRIAQYULRNVCR-UHFFFAOYSA-N -1 0 343.383 3.595 20 0 EHADRM O=C([O-])NCCCCC(=O)N1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000834235807 605925728 /nfs/dbraw/zinc/92/57/28/605925728.db2.gz YTJPAZLIZIELMR-HWOXTHGCSA-N -1 0 344.455 3.909 20 0 EHADRM CC(C)(C)Oc1ccncc1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000833446620 605946506 /nfs/dbraw/zinc/94/65/06/605946506.db2.gz DKEMFCRUURPLBW-UHFFFAOYSA-N -1 0 329.356 3.601 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)N3CC=C(c4ccccc4)C3)ccc21 ZINC000834052691 605971808 /nfs/dbraw/zinc/97/18/08/605971808.db2.gz KGAFRDOPPBNSAS-UHFFFAOYSA-N -1 0 349.390 3.658 20 0 EHADRM Cc1nc(NC(=O)[O-])sc1C(=O)N(C)CCC1CCCCC1 ZINC000833914497 605974895 /nfs/dbraw/zinc/97/48/95/605974895.db2.gz WLNDHXRXXAZAQJ-UHFFFAOYSA-N -1 0 325.434 3.584 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000833905894 606005363 /nfs/dbraw/zinc/00/53/63/606005363.db2.gz FASQGNWUSPAEFB-UHFFFAOYSA-N -1 0 337.335 3.591 20 0 EHADRM Cc1noc(C)c1[C@H](C)CC(=O)OCc1cccc(NC(=O)[O-])c1 ZINC000833929888 606007359 /nfs/dbraw/zinc/00/73/59/606007359.db2.gz PDEXBNOJASTCHD-SNVBAGLBSA-N -1 0 332.356 3.618 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCc1cc(C)c(O)c(C)c1 ZINC000833906764 606012286 /nfs/dbraw/zinc/01/22/86/606012286.db2.gz LCMWEWMOQNHSBE-UHFFFAOYSA-N -1 0 343.383 3.729 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCCc1ccccc1F ZINC000833907128 606012822 /nfs/dbraw/zinc/01/28/22/606012822.db2.gz YAFZKSRZQAWFIL-UHFFFAOYSA-N -1 0 331.347 3.588 20 0 EHADRM O=C([O-])N1CCC(CCC(=O)N(Cc2ccco2)C2CCCC2)CC1 ZINC000834071436 606018418 /nfs/dbraw/zinc/01/84/18/606018418.db2.gz KDSXRIPBSJMXQH-UHFFFAOYSA-N -1 0 348.443 3.721 20 0 EHADRM Cc1ccc(C(=O)N(C)C2CCC(NC(=O)[O-])CC2)c(Cl)c1C ZINC000833902875 606019384 /nfs/dbraw/zinc/01/93/84/606019384.db2.gz REFZMXUKONHZAP-UHFFFAOYSA-N -1 0 338.835 3.608 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000834273135 606042547 /nfs/dbraw/zinc/04/25/47/606042547.db2.gz SYSDDCQOTMQGMX-IJEWVQPXSA-N -1 0 330.428 3.794 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)NCCc1ccc2ccccc2c1 ZINC000834272970 606047503 /nfs/dbraw/zinc/04/75/03/606047503.db2.gz LSMKQDOHTUTOAT-UHFFFAOYSA-N -1 0 348.402 3.831 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)Nc1nc2c(s1)CCCCC2 ZINC000834273255 606050716 /nfs/dbraw/zinc/05/07/16/606050716.db2.gz JXTRUFDBMAMIAS-UHFFFAOYSA-N -1 0 345.424 3.683 20 0 EHADRM O=C([O-])Nc1ccc(CNc2ccc(Br)c(F)c2)cn1 ZINC000834259802 606063187 /nfs/dbraw/zinc/06/31/87/606063187.db2.gz GBZKYUPXFSFNFL-UHFFFAOYSA-N -1 0 340.152 3.685 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000834270323 606064545 /nfs/dbraw/zinc/06/45/45/606064545.db2.gz DHOLPWOLGDGJNF-MRXNPFEDSA-N -1 0 344.798 3.946 20 0 EHADRM O=C([O-])[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(Cl)c(F)c1 ZINC000191127139 939036461 /nfs/dbraw/zinc/03/64/61/939036461.db2.gz WQIBLILKRDWRPJ-GFCCVEGCSA-N -1 0 349.736 3.547 20 0 EHADRM C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1)c1cccs1 ZINC000191491910 939038356 /nfs/dbraw/zinc/03/83/56/939038356.db2.gz HKUPEVOVZOMJAC-SJKOYZFVSA-N -1 0 339.416 3.947 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)NC3(C(=O)[O-])CCC(C)CC3)c2c1 ZINC000236797923 939044574 /nfs/dbraw/zinc/04/45/74/939044574.db2.gz JFJZPFZNSZJNGW-UHFFFAOYSA-N -1 0 342.439 3.559 20 0 EHADRM Cc1cc(/C=C/C(=O)NC2(C(=O)[O-])CCC2)c(C)n1C1CCCCC1 ZINC000237643539 939047899 /nfs/dbraw/zinc/04/78/99/939047899.db2.gz WAWFGKKFNQMRIV-MDZDMXLPSA-N -1 0 344.455 3.747 20 0 EHADRM Cc1sc(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)cc1-c1ccc(F)cc1 ZINC000237701981 939048435 /nfs/dbraw/zinc/04/84/35/939048435.db2.gz DMPIDPYIXIOAIQ-GOSISDBHSA-N -1 0 347.411 3.846 20 0 EHADRM CCC(C)(C)N(C)C(=O)N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000684894585 939052393 /nfs/dbraw/zinc/05/23/93/939052393.db2.gz CIKQXPBITGSKPJ-LBPRGKRZSA-N -1 0 346.349 3.661 20 0 EHADRM O=C([O-])C1(NC(=O)c2cc(-c3ccccc3)ccc2Cl)CCC1 ZINC000237967091 939052958 /nfs/dbraw/zinc/05/29/58/939052958.db2.gz UOCCEDHYVGGDTI-UHFFFAOYSA-N -1 0 329.783 3.744 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)c1ccccc1 ZINC000238007769 939054015 /nfs/dbraw/zinc/05/40/15/939054015.db2.gz NUSQIGNEYXIWPJ-AABGKKOBSA-N -1 0 345.398 3.885 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1ccccc1 ZINC000238027738 939055783 /nfs/dbraw/zinc/05/57/83/939055783.db2.gz PCCBISNHQFAXHC-IBGZPJMESA-N -1 0 348.402 3.602 20 0 EHADRM CC[C@@](NC(=O)c1sccc1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000262279255 939063992 /nfs/dbraw/zinc/06/39/92/939063992.db2.gz ZBFIPCKRUDCELM-INIZCTEOSA-N -1 0 337.828 3.830 20 0 EHADRM C[C@](NC(=O)c1cc2cc(Cl)ccc2[nH]1)(C(=O)[O-])c1ccccc1 ZINC000766960658 939081052 /nfs/dbraw/zinc/08/10/52/939081052.db2.gz BXEYWOMRHLLVOE-GOSISDBHSA-N -1 0 342.782 3.551 20 0 EHADRM C/C(=C\C(=O)NC1(C(=O)[O-])CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000769481032 939086744 /nfs/dbraw/zinc/08/67/44/939086744.db2.gz XNNFWUBKFZEBAV-ZHACJKMWSA-N -1 0 341.329 3.622 20 0 EHADRM Cc1ccsc1[C@H]1C[C@@H]1C(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC000263206838 939109488 /nfs/dbraw/zinc/10/94/88/939109488.db2.gz ZEYBJDFTGSVJBS-YDHLFZDLSA-N -1 0 347.411 3.550 20 0 EHADRM Cc1ccc(NC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1Cl ZINC000320291587 939123194 /nfs/dbraw/zinc/12/31/94/939123194.db2.gz QDWYVLWKYXZADH-QGZVFWFLSA-N -1 0 332.787 3.770 20 0 EHADRM C[C@](NC(=O)CSc1ccc(Cl)cc1)(C(=O)[O-])c1ccccc1 ZINC000320573575 939124384 /nfs/dbraw/zinc/12/43/84/939124384.db2.gz WHIOURQDJWFMTL-QGZVFWFLSA-N -1 0 349.839 3.548 20 0 EHADRM CCC1CCC(NC(=O)Nc2cc(F)cc(F)c2)(C(=O)[O-])CC1 ZINC000320688865 939124423 /nfs/dbraw/zinc/12/44/23/939124423.db2.gz DABWGLFRCCSRQA-UHFFFAOYSA-N -1 0 326.343 3.510 20 0 EHADRM C[C@@](NC(=O)c1cc2cc(F)ccc2s1)(C(=O)[O-])c1ccccc1 ZINC000324599246 939126244 /nfs/dbraw/zinc/12/62/44/939126244.db2.gz IBIQMALZCAXHGE-SFHVURJKSA-N -1 0 343.379 3.770 20 0 EHADRM C[C@](NC(=O)Nc1ccc(Cl)c(F)c1)(C(=O)[O-])c1ccccc1 ZINC000390699127 939135711 /nfs/dbraw/zinc/13/57/11/939135711.db2.gz FFFFTTXNMGBVAX-MRXNPFEDSA-N -1 0 336.750 3.601 20 0 EHADRM Cc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(C)c(C)c2)c(C)c1 ZINC000788323753 939151917 /nfs/dbraw/zinc/15/19/17/939151917.db2.gz YMUWVUVVSDDQKH-KRWDZBQOSA-N -1 0 326.396 3.868 20 0 EHADRM Cc1cccc([C@@H](NC(=O)NC[C@@H](C)c2ccccc2)C(=O)[O-])c1C ZINC000797703425 939159676 /nfs/dbraw/zinc/15/96/76/939159676.db2.gz DJWQRQYWHCLFRQ-RDTXWAMCSA-N -1 0 340.423 3.532 20 0 EHADRM CCc1ccccc1C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000434790781 939184783 /nfs/dbraw/zinc/18/47/83/939184783.db2.gz YPZJYJXJGGJVSB-IBGZPJMESA-N -1 0 333.387 3.958 20 0 EHADRM CSCc1ccc(NC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000797742208 939204069 /nfs/dbraw/zinc/20/40/69/939204069.db2.gz FPMKSVONZKZBBS-GOSISDBHSA-N -1 0 344.436 3.671 20 0 EHADRM CSCc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)cc1 ZINC000449001239 939207311 /nfs/dbraw/zinc/20/73/11/939207311.db2.gz ZIHYNQAPAHTCPV-QGZVFWFLSA-N -1 0 343.448 3.722 20 0 EHADRM COc1ccc([C@H](NC(=O)/C=C(\C)C(C)(C)C)C(=O)[O-])cc1Cl ZINC000836754436 939225028 /nfs/dbraw/zinc/22/50/28/939225028.db2.gz IIWAPZAEDXXKHT-HQPKTYMTSA-N -1 0 339.819 3.583 20 0 EHADRM CC[C@@](NC(=O)[C@@H]1CC12CCCC2)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507316473 939235035 /nfs/dbraw/zinc/23/50/35/939235035.db2.gz GZBYCHIEWJNNIG-KSSFIOAISA-N -1 0 335.831 3.726 20 0 EHADRM Cc1ccccc1NC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000515964865 939242175 /nfs/dbraw/zinc/24/21/75/939242175.db2.gz NAKHTNJSUZMRNC-AWEZNQCLSA-N -1 0 336.750 3.735 20 0 EHADRM CSCCCCCCC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000864114712 939246639 /nfs/dbraw/zinc/24/66/39/939246639.db2.gz CBAOPUHLEFBQNJ-OAHLLOKOSA-N -1 0 345.411 3.520 20 0 EHADRM Cc1cc(C)cc([C@@H](NC(=O)c2sccc2C(F)F)C(=O)[O-])c1 ZINC000872729547 939263290 /nfs/dbraw/zinc/26/32/90/939263290.db2.gz WRMDYMVNBHKQGK-GFCCVEGCSA-N -1 0 339.363 3.858 20 0 EHADRM Cc1c(CSC(C)C)cccc1NC(=O)NC1(C(=O)[O-])CCC1 ZINC000900336337 939276475 /nfs/dbraw/zinc/27/64/75/939276475.db2.gz RSOFSMMXPAHEBP-UHFFFAOYSA-N -1 0 336.457 3.765 20 0 EHADRM O=C([O-])[C@@H](NC(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccsc1 ZINC000562391811 939322293 /nfs/dbraw/zinc/32/22/93/939322293.db2.gz UDQUWMRYEIMJAV-MXYBEHONSA-N -1 0 336.457 3.532 20 0 EHADRM CC[C@H](CC(=O)N[C@@H](C(=O)[O-])c1ccsc1)c1ccc(OC)cc1 ZINC000563451571 939339093 /nfs/dbraw/zinc/33/90/93/939339093.db2.gz VRMDCECIHOOFBW-SJKOYZFVSA-N -1 0 347.436 3.583 20 0 EHADRM CO[C@@H]1CCC[C@H]([C@@H](NC(=O)Nc2cccc(C(C)C)c2)C(=O)[O-])C1 ZINC000566298799 939353601 /nfs/dbraw/zinc/35/36/01/939353601.db2.gz GCHYVFUUJFSBTN-USXIJHARSA-N -1 0 348.443 3.590 20 0 EHADRM CC[C@@](NC(=O)CC(C)(C)CC(F)F)(C(=O)[O-])c1ccccc1 ZINC000908940958 939359137 /nfs/dbraw/zinc/35/91/37/939359137.db2.gz NCFNYMBVEGFCQY-KRWDZBQOSA-N -1 0 327.371 3.564 20 0 EHADRM CC[C@](NC(=O)CC(C)(C)CC(F)(F)F)(C(=O)[O-])c1ccccc1 ZINC000908942060 939359521 /nfs/dbraw/zinc/35/95/21/939359521.db2.gz WMVFJTVJIVLQBR-MRXNPFEDSA-N -1 0 345.361 3.861 20 0 EHADRM Cc1cccc([C@H](NC(=O)Nc2ccc(F)c(C)c2)C(=O)[O-])c1C ZINC000570268897 939382274 /nfs/dbraw/zinc/38/22/74/939382274.db2.gz PMKXDTSAAYUHOU-INIZCTEOSA-N -1 0 330.359 3.698 20 0 EHADRM CC[C@@H](NC(=O)N[C@@H](C(=O)[O-])c1ccccc1)c1ccc(Cl)cc1 ZINC000570306719 939382916 /nfs/dbraw/zinc/38/29/16/939382916.db2.gz QPJQMHRDVPTWAD-HZPDHXFCSA-N -1 0 346.814 3.916 20 0 EHADRM Cc1ccc(CNC(=O)N[C@H](C(=O)[O-])c2cccc(C)c2C)c(C)c1 ZINC000570578828 939384308 /nfs/dbraw/zinc/38/43/08/939384308.db2.gz XGRAJPQZYAXZIA-SFHVURJKSA-N -1 0 340.423 3.545 20 0 EHADRM CCc1nc2cc(NC(=O)N[C@@H](C(=O)[O-])C3CCCCC3)ccc2o1 ZINC000571831455 939394217 /nfs/dbraw/zinc/39/42/17/939394217.db2.gz OHGZQTNIUSDDDU-MRXNPFEDSA-N -1 0 345.399 3.545 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2cc(C(F)(F)F)ccc2s1)C1CC1 ZINC000576362280 939738578 /nfs/dbraw/zinc/73/85/78/939738578.db2.gz ZMAAGNVSKXZJJJ-LBPRGKRZSA-N -1 0 343.326 3.513 20 0 EHADRM CO[C@@H]1CCC[C@H]([C@@H](NC(=O)Nc2ccc(C(C)C)cc2)C(=O)[O-])C1 ZINC000576350580 939738730 /nfs/dbraw/zinc/73/87/30/939738730.db2.gz KYROLOYQBIQBEC-USXIJHARSA-N -1 0 348.443 3.590 20 0 EHADRM O=C([O-])[C@H](NC(=O)N[C@H]1CCSc2ccccc21)C1CCCCC1 ZINC000579994390 939766772 /nfs/dbraw/zinc/76/67/72/939766772.db2.gz FANQEJBOKNLGAF-GOEBONIOSA-N -1 0 348.468 3.556 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)N[C@@](C)(C(=O)[O-])C3CC3)ccc21 ZINC000581329289 939777455 /nfs/dbraw/zinc/77/74/55/939777455.db2.gz RLGPRWGLRCYRNO-LJQANCHMSA-N -1 0 343.427 3.672 20 0 EHADRM Cc1cccc([C@H](NC(=O)Nc2ccc(F)cc2F)C(=O)[O-])c1C ZINC000581861463 939780553 /nfs/dbraw/zinc/78/05/53/939780553.db2.gz PTZDQBWDDOGULY-HNNXBMFYSA-N -1 0 334.322 3.529 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c2ccsc2)c1 ZINC000582015056 939781550 /nfs/dbraw/zinc/78/15/50/939781550.db2.gz ZAIJQMIEQZJLRW-BLLLJJGKSA-N -1 0 347.436 3.581 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)N[C@@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC000583127428 939789129 /nfs/dbraw/zinc/78/91/29/939789129.db2.gz RRUCWPCFWZOELU-CQSZACIVSA-N -1 0 346.452 3.747 20 0 EHADRM C[C@H](NC(=O)N[C@@H](C(=O)[O-])c1cccs1)c1cccc(C2CC2)c1 ZINC000929040245 939798001 /nfs/dbraw/zinc/79/80/01/939798001.db2.gz WEPJBJZQJQZRBX-MEDUHNTESA-N -1 0 344.436 3.812 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1cccc(CSC2CCCC2)c1)C1CC1 ZINC000595993430 939802580 /nfs/dbraw/zinc/80/25/80/939802580.db2.gz GEMRNFZWTPZXDI-INIZCTEOSA-N -1 0 333.453 3.912 20 0 EHADRM CSCc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000619544000 939810184 /nfs/dbraw/zinc/81/01/84/939810184.db2.gz YFGKNFHRLZJZEY-HNNXBMFYSA-N -1 0 348.399 3.636 20 0 EHADRM Cc1cccc([C@H](NC(=O)CC2CCC(F)(F)CC2)C(=O)[O-])c1C ZINC000630189092 939815228 /nfs/dbraw/zinc/81/52/28/939815228.db2.gz JEMFLGWJSWJMAA-INIZCTEOSA-N -1 0 339.382 3.761 20 0 EHADRM CCC1CCC(NC(=O)c2ccc(C(F)F)cc2F)(C(=O)[O-])CC1 ZINC000656234549 939841264 /nfs/dbraw/zinc/84/12/64/939841264.db2.gz AKELQGZYZSURTL-UHFFFAOYSA-N -1 0 343.345 3.917 20 0 EHADRM Cc1cc2cc(C(=O)N[C@](C)(C(=O)[O-])c3ccccc3)oc2cc1C ZINC000675982610 939866173 /nfs/dbraw/zinc/86/61/73/939866173.db2.gz VNGQRNLSPGLZCU-FQEVSTJZSA-N -1 0 337.375 3.779 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N[C@]1(C(=O)[O-])CCc2ccccc21 ZINC000675988490 939866859 /nfs/dbraw/zinc/86/68/59/939866859.db2.gz KPIWXXWFEOUMFI-QVKFZJNVSA-N -1 0 337.419 3.531 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl)c1ccccc1F ZINC000678986461 939869074 /nfs/dbraw/zinc/86/90/74/939869074.db2.gz VVVCVUJGTZKPPU-DVOMOZLQSA-N -1 0 347.773 3.525 20 0 EHADRM CC[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccccc1F)c1ccc(C)cc1 ZINC000678988869 939869475 /nfs/dbraw/zinc/86/94/75/939869475.db2.gz OWBLDJWYZZXXMO-IFXJQAMLSA-N -1 0 343.398 3.960 20 0 EHADRM CC(C)Oc1cccc([C@H](C)NC(=O)NC2(C(=O)[O-])CCCCC2)c1 ZINC000679549789 939869816 /nfs/dbraw/zinc/86/98/16/939869816.db2.gz WQQHJBXUEFQWRH-AWEZNQCLSA-N -1 0 348.443 3.622 20 0 EHADRM CC[C@H](NC(=O)N[C@@H](C(=O)[O-])c1ccccc1F)c1ccc(C)cc1 ZINC000684727850 939873451 /nfs/dbraw/zinc/87/34/51/939873451.db2.gz BIEPUAXIUICSLY-DLBZAZTESA-N -1 0 344.386 3.710 20 0 EHADRM O=C([O-])c1ccc([N+](=O)[O-])c(Sc2ccc(C(F)(F)F)cn2)c1 ZINC000321911176 970824382 /nfs/dbraw/zinc/82/43/82/970824382.db2.gz PDCDHEUJHIWPDM-UHFFFAOYSA-N -1 0 344.270 3.858 20 0 EHADRM Cc1cccc2c1N(C(=O)c1ccc(OCC(=O)[O-])cc1)CC[C@H]2C ZINC001600558066 970826192 /nfs/dbraw/zinc/82/61/92/970826192.db2.gz DJTCXXOLVSNSBL-CYBMUJFWSA-N -1 0 339.391 3.612 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)ccc1F ZINC000322275275 970867332 /nfs/dbraw/zinc/86/73/32/970867332.db2.gz OFXPOYHFCSABHU-KOLCDFICSA-N -1 0 333.281 3.831 20 0 EHADRM CSc1ccc(Cl)c(C(=O)NCc2ccccc2CC(=O)[O-])c1 ZINC000322269773 970866255 /nfs/dbraw/zinc/86/62/55/970866255.db2.gz VMFAJEGKEAVRPQ-UHFFFAOYSA-N -1 0 349.839 3.619 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000322506876 970896336 /nfs/dbraw/zinc/89/63/36/970896336.db2.gz FUOUHUDWOBPYIW-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM CC(C)(C)c1csc(CN2CCc3ccc(C(=O)[O-])cc3C2)n1 ZINC000322600393 970908254 /nfs/dbraw/zinc/90/82/54/970908254.db2.gz WXVDKWMHCSWWGW-UHFFFAOYSA-N -1 0 330.453 3.697 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC000322860824 970936229 /nfs/dbraw/zinc/93/62/29/970936229.db2.gz UZLYBGRQNCRAFW-SNVBAGLBSA-N -1 0 333.775 3.658 20 0 EHADRM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1c(Cl)oc2ccccc21 ZINC001601422060 970989617 /nfs/dbraw/zinc/98/96/17/970989617.db2.gz LRQQAADSMKYPNB-CYBMUJFWSA-N -1 0 343.766 3.512 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NC[C@@H]2CSc3ccccc32)c(F)c1 ZINC001601488990 971006715 /nfs/dbraw/zinc/00/67/15/971006715.db2.gz AOKCTUSKGLLFKL-LLVKDONJSA-N -1 0 346.383 3.535 20 0 EHADRM Cc1ccc(NC(=O)c2cccc(OCC(C)C)c2)c(C(=O)[O-])c1 ZINC000323915368 971057915 /nfs/dbraw/zinc/05/79/15/971057915.db2.gz SVWLUTUJLTWPJO-UHFFFAOYSA-N -1 0 327.380 3.980 20 0 EHADRM Cc1cc(OCc2ccc(C(=O)[O-])c(F)c2)c(Cl)cc1[N+](=O)[O-] ZINC000323926528 971060196 /nfs/dbraw/zinc/06/01/96/971060196.db2.gz OKNAIKDFACXMRJ-UHFFFAOYSA-N -1 0 339.706 3.973 20 0 EHADRM CCN(CC)c1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000324078196 971080812 /nfs/dbraw/zinc/08/08/12/971080812.db2.gz AVUKAIZQYWWCBX-UHFFFAOYSA-N -1 0 330.359 3.622 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)CCSc1ccccc1 ZINC000324078975 971081336 /nfs/dbraw/zinc/08/13/36/971081336.db2.gz YZKGYRMRQYIBBR-MRXNPFEDSA-N -1 0 335.469 3.709 20 0 EHADRM O=C([O-])[C@H]1Cc2ccccc2N(C(=O)/C=C/c2ccc(Cl)s2)C1 ZINC000324083365 971082063 /nfs/dbraw/zinc/08/20/63/971082063.db2.gz LQFLYPJVZLEKAR-WMADIVHISA-N -1 0 347.823 3.705 20 0 EHADRM Cc1ccc2cccc(NC(=O)NCCCCCCC(=O)[O-])c2n1 ZINC000324757200 971153675 /nfs/dbraw/zinc/15/36/75/971153675.db2.gz WMAZWXRLONTKNY-UHFFFAOYSA-N -1 0 329.400 3.700 20 0 EHADRM Cc1ccc(NC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)cc1C(=O)[O-] ZINC000324834852 971162063 /nfs/dbraw/zinc/16/20/63/971162063.db2.gz VWCOVRPIPPTIBG-IUODEOHRSA-N -1 0 327.380 3.981 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCc3c(cccc3C(F)(F)F)C2)c1 ZINC001602432236 971193607 /nfs/dbraw/zinc/19/36/07/971193607.db2.gz BKSRFTKAEGCLQP-UHFFFAOYSA-N -1 0 349.308 3.602 20 0 EHADRM CCC(CC)n1ccc(CN2CC[C@H](C(=O)[O-])c3ccccc32)n1 ZINC000325429243 971215038 /nfs/dbraw/zinc/21/50/38/971215038.db2.gz ZAGMMCDXVNHTEA-KRWDZBQOSA-N -1 0 327.428 3.823 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2ccc(OC(F)F)cc2)CCCCC1 ZINC000325707468 971237021 /nfs/dbraw/zinc/23/70/21/971237021.db2.gz RLZGGPODFGZXHV-UHFFFAOYSA-N -1 0 342.342 3.587 20 0 EHADRM Cc1ccc(NC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)c(Cl)c1 ZINC000325700649 971237037 /nfs/dbraw/zinc/23/70/37/971237037.db2.gz KIFAYLFRMZBSMN-AWEZNQCLSA-N -1 0 344.798 3.864 20 0 EHADRM Cc1cccc(Cl)c1NC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000325732134 971239350 /nfs/dbraw/zinc/23/93/50/971239350.db2.gz WMGVUPUXBNPAGL-CQSZACIVSA-N -1 0 344.798 3.864 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)Nc1cc(F)cc(Cl)c1)CC2 ZINC000325953836 971257411 /nfs/dbraw/zinc/25/74/11/971257411.db2.gz OSQRQZVYDVBXHC-UHFFFAOYSA-N -1 0 348.761 3.768 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)N[C@H]1CCCc3sccc31)C2 ZINC000326094974 971266760 /nfs/dbraw/zinc/26/67/60/971266760.db2.gz BDEXBZFFEIDVHJ-HNNXBMFYSA-N -1 0 342.420 3.549 20 0 EHADRM Cc1ccc2oc(C(=O)N[C@H](CC3CCCCC3)C(=O)[O-])cc2c1 ZINC000326189989 971273040 /nfs/dbraw/zinc/27/30/40/971273040.db2.gz AOSCLVCUGZHIGY-OAHLLOKOSA-N -1 0 329.396 3.895 20 0 EHADRM O=C([O-])C1(CNc2c3ccccc3ncc2[N+](=O)[O-])CCCCC1 ZINC000326366546 971285911 /nfs/dbraw/zinc/28/59/11/971285911.db2.gz TYZRUAAXJVPCEE-UHFFFAOYSA-N -1 0 329.356 3.590 20 0 EHADRM CCc1ccc(NC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cc1C ZINC000326419399 971291722 /nfs/dbraw/zinc/29/17/22/971291722.db2.gz QRSCDTOQGHXFGV-QGZVFWFLSA-N -1 0 326.396 3.547 20 0 EHADRM Cc1cc(NC(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)ccc1C(=O)[O-] ZINC000326423997 971292089 /nfs/dbraw/zinc/29/20/89/971292089.db2.gz RVPDFQAIBDVHAF-GFCCVEGCSA-N -1 0 344.333 3.888 20 0 EHADRM Cc1cccc(OCCC(=O)N(CCC(=O)[O-])c2ccccc2C)c1 ZINC000326651166 971312757 /nfs/dbraw/zinc/31/27/57/971312757.db2.gz ZSNPWEACFWIZBA-UHFFFAOYSA-N -1 0 341.407 3.580 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2cccc(Oc3ccccc3)c2)n1 ZINC000326581217 971306316 /nfs/dbraw/zinc/30/63/16/971306316.db2.gz BBPBYLOOJPBTRO-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM CCc1ccc(NC(=O)c2csc(-c3ccco3)n2)c(C(=O)[O-])c1 ZINC000326587997 971307240 /nfs/dbraw/zinc/30/72/40/971307240.db2.gz JQKANNJNTNJENG-UHFFFAOYSA-N -1 0 342.376 3.916 20 0 EHADRM Cc1ccccc1N(CCC(=O)[O-])C(=O)c1ccc(OC(C)C)cc1 ZINC000326612384 971309575 /nfs/dbraw/zinc/30/95/75/971309575.db2.gz MBOLBZPAFFRTPL-UHFFFAOYSA-N -1 0 341.407 3.904 20 0 EHADRM CCC1CCC(NC(=O)CCc2ccc([C@@H]3C[C@@H]3C)o2)(C(=O)[O-])CC1 ZINC000326793323 971328244 /nfs/dbraw/zinc/32/82/44/971328244.db2.gz XUZKGQACWIAQNN-RUDKEGLSSA-N -1 0 347.455 3.875 20 0 EHADRM COc1cc(NC(=O)N2CCC[C@H]2C2CCCC2)ccc1C(=O)[O-] ZINC000326829072 971332750 /nfs/dbraw/zinc/33/27/50/971332750.db2.gz LFEQADUQTCFTAJ-HNNXBMFYSA-N -1 0 332.400 3.580 20 0 EHADRM COc1ccc(NC(=O)c2oc3c(cccc3F)c2C)c(C(=O)[O-])c1 ZINC000327237643 971378504 /nfs/dbraw/zinc/37/85/04/971378504.db2.gz VJOOKSXPWMSXFE-UHFFFAOYSA-N -1 0 343.310 3.839 20 0 EHADRM COc1cc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)ccc1C(=O)[O-] ZINC000327669388 971417587 /nfs/dbraw/zinc/41/75/87/971417587.db2.gz JTZLNUQSYWIQDF-UHFFFAOYSA-N -1 0 338.363 3.744 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)c1ccc2ccccc2c1O ZINC000327686205 971418462 /nfs/dbraw/zinc/41/84/62/971418462.db2.gz PTKOEPNKYPUNFB-KRWDZBQOSA-N -1 0 341.407 3.699 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001602736034 971419233 /nfs/dbraw/zinc/41/92/33/971419233.db2.gz BKUOWLFETOOXEI-BUMIZSHTSA-N -1 0 329.440 3.650 20 0 EHADRM CC(=O)c1c(C)cc(NC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)cc1C ZINC001602771783 971501475 /nfs/dbraw/zinc/50/14/75/971501475.db2.gz SSVUEODFWBQMPS-UHFFFAOYSA-N -1 0 331.412 3.582 20 0 EHADRM COc1ccc2c(CC(=O)Nc3c(C)cccc3C(=O)[O-])coc2c1 ZINC000013432011 948781753 /nfs/dbraw/zinc/78/17/53/948781753.db2.gz MITDSILGSWRFRQ-UHFFFAOYSA-N -1 0 339.347 3.629 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)N(CCC(=O)[O-])CC(C)C ZINC000346032381 971520948 /nfs/dbraw/zinc/52/09/48/971520948.db2.gz WJIBTLUVPGHINQ-OAHLLOKOSA-N -1 0 335.444 3.538 20 0 EHADRM CC[C@@H](OC(=O)Cc1ccccc1C(=O)[O-])c1ccc(OC)cc1 ZINC001589577071 948965779 /nfs/dbraw/zinc/96/57/79/948965779.db2.gz FXYGLDDIFUKUQL-QGZVFWFLSA-N -1 0 328.364 3.630 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2occc2-c2ccccc2)Cc2ccccc21 ZINC000347341721 971524061 /nfs/dbraw/zinc/52/40/61/971524061.db2.gz HRQWLNLINUMIIY-GOSISDBHSA-N -1 0 347.370 3.771 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)NCCc1csc2ccccc12 ZINC000347354643 971524106 /nfs/dbraw/zinc/52/41/06/971524106.db2.gz ASXXKUVDJPWANG-UHFFFAOYSA-N -1 0 339.416 3.501 20 0 EHADRM CS[C@H](C(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccccc1 ZINC000353170443 971528912 /nfs/dbraw/zinc/52/89/12/971528912.db2.gz XPTFUPMVOMLXLJ-KRWDZBQOSA-N -1 0 329.421 3.747 20 0 EHADRM Cc1cccc([C@@H]2CCCCN2C(=O)c2cc(C(=O)[O-])co2)c1C ZINC000352410581 971529141 /nfs/dbraw/zinc/52/91/41/971529141.db2.gz RFTMHKKNMMICTO-INIZCTEOSA-N -1 0 327.380 3.962 20 0 EHADRM Cc1c(CNC(=O)c2ccc(C(=O)[O-])cc2F)oc2ccccc12 ZINC000358586916 971531103 /nfs/dbraw/zinc/53/11/03/971531103.db2.gz HRYCJLDAJFXMEE-UHFFFAOYSA-N -1 0 327.311 3.509 20 0 EHADRM Cc1cnc(-c2cccc(NC(=O)c3ccc(C(=O)[O-])cc3F)c2)o1 ZINC000358605860 971531572 /nfs/dbraw/zinc/53/15/72/971531572.db2.gz BGMUNIDHGNGBKP-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM CC[C@H](Sc1nccn1-c1ccc(Br)cc1)C(=O)[O-] ZINC001589584217 949025862 /nfs/dbraw/zinc/02/58/62/949025862.db2.gz BMOBPCXQBRKSAD-NSHDSACASA-N -1 0 341.230 3.590 20 0 EHADRM CC[C@@](C)(NC(=O)CCCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000362335563 971534708 /nfs/dbraw/zinc/53/47/08/971534708.db2.gz RMSIHDJUPYOHGR-OAHLLOKOSA-N -1 0 332.227 3.686 20 0 EHADRM CC[C@H](SC)C(=O)Nc1sc2c(c1C(=O)[O-])C[C@@H](C)O[C@H]2C ZINC001589585622 949043258 /nfs/dbraw/zinc/04/32/58/949043258.db2.gz QXYJRYRIZRNKEB-WEDXCCLWSA-N -1 0 343.470 3.549 20 0 EHADRM CCc1ccc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])cc1 ZINC000362534452 971535996 /nfs/dbraw/zinc/53/59/96/971535996.db2.gz PYDXDHKZLRFZCR-HNNXBMFYSA-N -1 0 325.408 3.612 20 0 EHADRM Cc1cc(C)cc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])c1 ZINC000362533170 971536036 /nfs/dbraw/zinc/53/60/36/971536036.db2.gz LDAGWVLEMDQPJW-INIZCTEOSA-N -1 0 325.408 3.667 20 0 EHADRM Cc1oc(CN(C)C(=O)CCc2ccccc2Cl)cc1C(=O)[O-] ZINC000362751138 971536892 /nfs/dbraw/zinc/53/68/92/971536892.db2.gz CKGQYUVVMRCMMH-UHFFFAOYSA-N -1 0 335.787 3.531 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)CCCCOc2cccc(C)c2)C1 ZINC001589591057 949084953 /nfs/dbraw/zinc/08/49/53/949084953.db2.gz DBJZSWFRTPQNLN-HXUWFJFHSA-N -1 0 347.455 3.648 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)CC(C)(C)c2ccc(F)cc2)C1 ZINC001589591577 949091828 /nfs/dbraw/zinc/09/18/28/949091828.db2.gz QBFPIFLTRDXCOO-LJQANCHMSA-N -1 0 335.419 3.597 20 0 EHADRM C[C@H](C(=O)N1CCC[C@H](C)[C@@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001602789726 971548220 /nfs/dbraw/zinc/54/82/20/971548220.db2.gz TZVSDBAMQYJADK-COPLHBTASA-N -1 0 343.345 3.521 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)NCc2ccc3ccccc3c2)C1 ZINC001589594516 949125460 /nfs/dbraw/zinc/12/54/60/949125460.db2.gz NSINGQRANTZQLI-FQEVSTJZSA-N -1 0 340.423 3.626 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2c(C)nc3ccccc3c2C)C1 ZINC001589599290 949195971 /nfs/dbraw/zinc/19/59/71/949195971.db2.gz XGGSBGCQXNNQNZ-FQEVSTJZSA-N -1 0 340.423 3.569 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)N1CCC[C@]1(C)Cc1ccc(C(C)(C)C)cc1 ZINC001602796750 971562227 /nfs/dbraw/zinc/56/22/27/971562227.db2.gz FOINZFNOEFMESZ-JLTOFOAXSA-N -1 0 331.456 3.628 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2cc(Cl)c(Cl)[nH]2)c1 ZINC000157798405 949365226 /nfs/dbraw/zinc/36/52/26/949365226.db2.gz DIFMBYYAENBXGU-UHFFFAOYSA-N -1 0 327.167 3.591 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(Cl)cc(C(F)(F)F)c2)nc1 ZINC001595236918 949416246 /nfs/dbraw/zinc/41/62/46/949416246.db2.gz LODIRKMIGRBKKM-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CC2(CCCC2)[C@H]1c1ccco1 ZINC001595254025 949572679 /nfs/dbraw/zinc/57/26/79/949572679.db2.gz QCMZQVHDJYBNSJ-GOSISDBHSA-N -1 0 339.391 3.664 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)c1ccncc1Oc1ccccc1 ZINC001595255905 949610392 /nfs/dbraw/zinc/61/03/92/949610392.db2.gz HYTQRDRHEHPJFZ-UHFFFAOYSA-N -1 0 348.358 3.502 20 0 EHADRM CCC[C@@H]1CCCC[C@H]1NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001589637887 949637084 /nfs/dbraw/zinc/63/70/84/949637084.db2.gz UFKCZEXYOYDWNN-FHLIZLRMSA-N -1 0 344.455 3.739 20 0 EHADRM CCCC[C@@H](CC)COC(=O)c1ccc(NC(=O)[C@@H](C)C(=O)[O-])cc1 ZINC001589640974 949689750 /nfs/dbraw/zinc/68/97/50/949689750.db2.gz NUHKMJDHKDAZDX-ZIAGYGMSSA-N -1 0 349.427 3.719 20 0 EHADRM CCCCC[C@H](NC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)C(C)(C)C ZINC001589642531 949710709 /nfs/dbraw/zinc/71/07/09/949710709.db2.gz XRTIUWXDHZOIAY-ZNMIVQPWSA-N -1 0 326.481 3.734 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)N2CCC[C@H](C3CCCCC3)C2)c1 ZINC001595264197 949729996 /nfs/dbraw/zinc/72/99/96/949729996.db2.gz YOAKQBGZKRIKGH-HNNXBMFYSA-N -1 0 331.416 3.604 20 0 EHADRM CCCCNc1ccccc1C(=O)N1CCC[C@@](CC)(C(=O)[O-])C1 ZINC001589650082 949766291 /nfs/dbraw/zinc/76/62/91/949766291.db2.gz GNNRAYQFJZACRU-LJQANCHMSA-N -1 0 332.444 3.616 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)CSc1ccc(Cl)cc1 ZINC000237985503 949987056 /nfs/dbraw/zinc/98/70/56/949987056.db2.gz MOGJZZHFZRAQBX-CYBMUJFWSA-N -1 0 341.860 3.678 20 0 EHADRM O=C([O-])C1(C(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)CCCCCC1 ZINC001595284960 950001958 /nfs/dbraw/zinc/00/19/58/950001958.db2.gz AHQQDHXHXQXZNK-ZDUSSCGKSA-N -1 0 341.407 3.519 20 0 EHADRM CCCOc1cc(C)ccc1NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001589679974 950033739 /nfs/dbraw/zinc/03/37/39/950033739.db2.gz JDWCVLCNDZBWLV-ALCCZGGFSA-N -1 0 329.352 3.727 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000261783178 950049407 /nfs/dbraw/zinc/04/94/07/950049407.db2.gz YBOFWXQWLSVJJI-IBGZPJMESA-N -1 0 325.364 3.558 20 0 EHADRM CCCOc1cccc(NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC001589684159 950060209 /nfs/dbraw/zinc/06/02/09/950060209.db2.gz MUJWGAWHUQRDLT-AWEZNQCLSA-N -1 0 334.416 3.584 20 0 EHADRM COc1cccc(Oc2ccc(NC(=O)[C@@H]3CC[C@H]3C(=O)[O-])cc2)c1 ZINC000262118864 950066060 /nfs/dbraw/zinc/06/60/60/950066060.db2.gz NERWBQOMGMTGBD-IAGOWNOFSA-N -1 0 341.363 3.537 20 0 EHADRM Cc1ccc(-c2ccc(C)c(NC(=O)N3CC[C@H](C(=O)[O-])C3)c2)o1 ZINC000262986246 950206552 /nfs/dbraw/zinc/20/65/52/950206552.db2.gz CSSBLRHLDRMXEU-AWEZNQCLSA-N -1 0 328.368 3.502 20 0 EHADRM C[C@H](CC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C)Cc1ccc(Cl)cc1 ZINC000263203081 950324830 /nfs/dbraw/zinc/32/48/30/950324830.db2.gz MQSSGHLUWGWAPB-GUTXKFCHSA-N -1 0 337.847 3.620 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)[C@H]2C[C@H]2c2cccc3ccccc32)C1 ZINC000263308373 950359260 /nfs/dbraw/zinc/35/92/60/950359260.db2.gz HOYBOYMAPQZXHM-UVDFWXMISA-N -1 0 337.419 3.513 20 0 EHADRM CC[C@@H]1c2ccsc2CCN1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263387633 950429076 /nfs/dbraw/zinc/42/90/76/950429076.db2.gz PXEJQILCIJCJTA-OAHLLOKOSA-N -1 0 344.436 3.665 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)NC1CCC(c2ccc(F)cc2)CC1 ZINC001602852323 971689275 /nfs/dbraw/zinc/68/92/75/971689275.db2.gz LQWVQLGICFWQBB-BCLQGDPASA-N -1 0 335.419 3.715 20 0 EHADRM COc1ccc(CCC(=O)Nc2sccc2C(=O)[O-])cc1Cl ZINC000314241681 950814305 /nfs/dbraw/zinc/81/43/05/950814305.db2.gz IOYDMANGFXHFRS-UHFFFAOYSA-N -1 0 339.800 3.680 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1ccc(C)c(C(F)(F)F)c1)C(=O)[O-] ZINC000321392554 951014733 /nfs/dbraw/zinc/01/47/33/951014733.db2.gz YNCSGODOKDWVGH-UFBFGSQYSA-N -1 0 332.322 3.635 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1c1ccnc(-c2cccc(Cl)c2)n1 ZINC001594987336 951024781 /nfs/dbraw/zinc/02/47/81/951024781.db2.gz ZJUDPWSFKMAIFN-AWEZNQCLSA-N -1 0 331.803 3.631 20 0 EHADRM Cc1c(C(=O)Nc2cccnc2C(=O)[O-])sc2cccc(F)c12 ZINC000322695002 951035153 /nfs/dbraw/zinc/03/51/53/951035153.db2.gz PFIZQUUEBHWRSP-UHFFFAOYSA-N -1 0 330.340 3.694 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000324847629 951075560 /nfs/dbraw/zinc/07/55/60/951075560.db2.gz LNQXFROLHIIHHR-UHFFFAOYSA-N -1 0 343.408 3.646 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2cc3ccccc3s2)Cc2ccccc21 ZINC000325600519 951089642 /nfs/dbraw/zinc/08/96/42/951089642.db2.gz RIBOPAKBOGWEBN-HNNXBMFYSA-N -1 0 337.400 3.726 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)c1cccc2cccc(O)c21)C(=O)[O-] ZINC001602861409 971720662 /nfs/dbraw/zinc/72/06/62/971720662.db2.gz WDUQZMDEOOTIFZ-CQSZACIVSA-N -1 0 329.396 3.555 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(F)c3ccccc23)C1 ZINC000326426331 951098045 /nfs/dbraw/zinc/09/80/45/951098045.db2.gz WGJZJCJYKRYRLG-IBGZPJMESA-N -1 0 329.371 3.696 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2Cl)c1 ZINC000326419715 951098217 /nfs/dbraw/zinc/09/82/17/951098217.db2.gz UUEXOXGIUSOQIK-UHFFFAOYSA-N -1 0 348.742 3.518 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)Nc1cccc(N2CCCC2)c1)C(=O)[O-] ZINC001602861123 971717640 /nfs/dbraw/zinc/71/76/40/971717640.db2.gz JPGNIIVPDDESBY-INIZCTEOSA-N -1 0 347.459 3.688 20 0 EHADRM O=C([O-])CCCCC(=O)NCc1ccccc1OCc1ccccc1 ZINC000336792561 951131336 /nfs/dbraw/zinc/13/13/36/951131336.db2.gz SNHBUJJPLZPEIY-UHFFFAOYSA-N -1 0 341.407 3.527 20 0 EHADRM Cc1c(C(=O)[O-])cc(CNc2cc(Br)ccc2C)n1C ZINC000380975959 971728706 /nfs/dbraw/zinc/72/87/06/971728706.db2.gz XQFNMXDPGPTQOA-UHFFFAOYSA-N -1 0 337.217 3.715 20 0 EHADRM O=C([O-])CCCC(=O)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 ZINC001595027757 951355106 /nfs/dbraw/zinc/35/51/06/951355106.db2.gz JWJXFIITBOEXKB-GOSISDBHSA-N -1 0 347.798 3.615 20 0 EHADRM CCOc1ccccc1[C@@H](CC)NC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001593042845 951388191 /nfs/dbraw/zinc/38/81/91/951388191.db2.gz JMNGIFNFFPCKJM-WBVHZDCISA-N -1 0 333.428 3.544 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)c1 ZINC001595066535 951552963 /nfs/dbraw/zinc/55/29/63/951552963.db2.gz LXNIRJZNUQZTIO-DLBZAZTESA-N -1 0 342.370 3.521 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1c1nc(-c2ccc(Oc3ccccc3)nc2)no1 ZINC001595184335 952257986 /nfs/dbraw/zinc/25/79/86/952257986.db2.gz MRBCVMRFQPSRFE-ZIAGYGMSSA-N -1 0 337.335 3.502 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)[C@H]1CCC=CCCC1)COCC2 ZINC001595206836 952333365 /nfs/dbraw/zinc/33/33/65/952333365.db2.gz ODWQDPLVMWKQFY-NSHDSACASA-N -1 0 335.425 3.594 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CCCC[C@@H]2c2ccccc2)ccn1 ZINC001595209268 952356148 /nfs/dbraw/zinc/35/61/48/952356148.db2.gz YQJSAZRGPONXBN-MRXNPFEDSA-N -1 0 325.368 3.539 20 0 EHADRM CC(C)(C)c1ccc(SCC(=O)N2CCC[C@]2(C)C(=O)[O-])cc1 ZINC001602923334 971887301 /nfs/dbraw/zinc/88/73/01/971887301.db2.gz YTAKAMNHKJPHBV-GOSISDBHSA-N -1 0 335.469 3.542 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)NCCC(C)(C)C(=O)[O-])c1cccc(F)c1 ZINC001602940555 971908028 /nfs/dbraw/zinc/90/80/28/971908028.db2.gz CDISWBAEIJNZFK-AWEZNQCLSA-N -1 0 338.423 3.713 20 0 EHADRM CC1CC(C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)(c2cccc(Cl)c2)C1 ZINC001589269594 953405630 /nfs/dbraw/zinc/40/56/30/953405630.db2.gz XGSHDYUWUYVAJM-GWMLXNDSSA-N -1 0 349.858 3.577 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C2(Sc3ccccc3)CCCC2)C1 ZINC001589269715 953407099 /nfs/dbraw/zinc/40/70/99/953407099.db2.gz ZWWVQOUZONWGRH-GJZGRUSLSA-N -1 0 347.480 3.661 20 0 EHADRM Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N(C)CCCC(=O)[O-] ZINC000417775922 953418476 /nfs/dbraw/zinc/41/84/76/953418476.db2.gz OOEMMYQEYITQSH-UHFFFAOYSA-N -1 0 345.374 3.525 20 0 EHADRM C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC000424398573 953463946 /nfs/dbraw/zinc/46/39/46/953463946.db2.gz ANZQYTIFXVNAFT-ZBFHGGJFSA-N -1 0 332.444 3.670 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)c3cnc(C(=O)[O-])cn3)cc2)cc1 ZINC000439921115 953505246 /nfs/dbraw/zinc/50/52/46/953505246.db2.gz NGBSVZJIURCMBL-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000449006228 953508556 /nfs/dbraw/zinc/50/85/56/953508556.db2.gz YDCMWKQWKZWVDE-OIISXLGYSA-N -1 0 347.455 3.537 20 0 EHADRM C[C@H](C(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000473961298 953525218 /nfs/dbraw/zinc/52/52/18/953525218.db2.gz VYGYJHBAVYLVLO-NSHDSACASA-N -1 0 333.334 3.724 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)C1(C)C ZINC001602958868 971937159 /nfs/dbraw/zinc/93/71/59/971937159.db2.gz CPWDDGLMVRKRCB-VVLHAWIVSA-N -1 0 327.424 3.654 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1cc(F)ccc1Oc1ccccc1 ZINC000507401912 953534778 /nfs/dbraw/zinc/53/47/78/953534778.db2.gz KBVFDYNMVUVZAA-ZIAGYGMSSA-N -1 0 329.327 3.667 20 0 EHADRM C[C@@](CNC(=O)c1ccc2sccc2c1)(C(=O)[O-])c1ccccc1 ZINC000521638933 953553755 /nfs/dbraw/zinc/55/37/55/953553755.db2.gz QLUDIQJANLZXBN-IBGZPJMESA-N -1 0 339.416 3.674 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)c1cc2cccc(Cl)c2o1 ZINC001594772110 953571894 /nfs/dbraw/zinc/57/18/94/953571894.db2.gz SGWUPEIGNJJRGY-UHFFFAOYSA-N -1 0 329.739 3.714 20 0 EHADRM C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@H](CC(=O)[O-])C2)CC(C)(C)C1 ZINC001589285984 953572658 /nfs/dbraw/zinc/57/26/58/953572658.db2.gz KOURIUVKLYRVEL-OWCLPIDISA-N -1 0 338.492 3.735 20 0 EHADRM CC[C@H](NC(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000563390000 953599934 /nfs/dbraw/zinc/59/99/34/953599934.db2.gz VLHKBTROGWSNQV-WFASDCNBSA-N -1 0 338.835 3.687 20 0 EHADRM CCc1ccc([C@@H]2CCCCCN2C(=O)NC[C@@H](CC)C(=O)[O-])o1 ZINC001593637285 953616504 /nfs/dbraw/zinc/61/65/04/953616504.db2.gz RHNVSEPTBLNHMQ-HIFRSBDPSA-N -1 0 336.432 3.580 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc(-c3ccco3)cc2F)C[C@H]1C(=O)[O-] ZINC000565716457 953616953 /nfs/dbraw/zinc/61/69/53/953616953.db2.gz FYJPNOQCPLEYPV-DGCLKSJQSA-N -1 0 346.358 3.660 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)NCCCCC(=O)[O-])C[C@H](c2ccccc2)C1 ZINC001589292932 953618110 /nfs/dbraw/zinc/61/81/10/953618110.db2.gz IRCPIWLBAFOZLQ-USXIJHARSA-N -1 0 332.444 3.513 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000570632550 953658650 /nfs/dbraw/zinc/65/86/50/953658650.db2.gz RPNKPLQJRMGBEU-OALUTQOASA-N -1 0 337.419 3.518 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCCCCc1ccc(F)cc1 ZINC001589298607 953670690 /nfs/dbraw/zinc/67/06/90/953670690.db2.gz NSXKYSKKOYGVBQ-ZBFHGGJFSA-N -1 0 335.419 3.640 20 0 EHADRM CC[C@H](CC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccc(OC)cc1 ZINC000576183774 953687864 /nfs/dbraw/zinc/68/78/64/953687864.db2.gz ZEDURGRXMGVJJX-MRXNPFEDSA-N -1 0 347.455 3.682 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Nc2nc(C3CCC3)cs2)c1 ZINC000577047243 953691398 /nfs/dbraw/zinc/69/13/98/953691398.db2.gz KXRXQWNBHNYPOW-UHFFFAOYSA-N -1 0 331.397 3.682 20 0 EHADRM CCc1nc2ccccc2c(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])c1C ZINC001593651456 953710976 /nfs/dbraw/zinc/71/09/76/953710976.db2.gz SYTDKOFPSVFJLW-CQSZACIVSA-N -1 0 342.439 3.582 20 0 EHADRM CC(C)CN(Cc1cccc(Cl)c1)C(=O)c1ccc(C(=O)[O-])cn1 ZINC000621617932 953794104 /nfs/dbraw/zinc/79/41/04/953794104.db2.gz GEURSTYWGYESAO-UHFFFAOYSA-N -1 0 346.814 3.732 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)N[C@H]1CCc2cccc3cccc1c32 ZINC001594811785 953836359 /nfs/dbraw/zinc/83/63/59/953836359.db2.gz LEXKWIDINAEFSL-HNNXBMFYSA-N -1 0 347.374 3.742 20 0 EHADRM C[C@@H](CNC(=O)C1(c2ccc(Cl)cc2Cl)CCCC1)C(=O)[O-] ZINC000630136336 953840141 /nfs/dbraw/zinc/84/01/41/953840141.db2.gz AOTQXURQDVDARP-JTQLQIEISA-N -1 0 344.238 3.642 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCC[C@H](c3ccc(F)c(F)c3)C2)c1 ZINC000630230580 953848227 /nfs/dbraw/zinc/84/82/27/953848227.db2.gz LLHQNRVBJCCQSV-HNNXBMFYSA-N -1 0 345.345 3.683 20 0 EHADRM O=C([O-])CCCCC(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000630288737 953850421 /nfs/dbraw/zinc/85/04/21/953850421.db2.gz DMKGOMSLHKUWHZ-GFCCVEGCSA-N -1 0 335.297 3.580 20 0 EHADRM CC[C@@H](c1ccccc1OC)N(C)C(=O)Cc1ccccc1C(=O)[O-] ZINC000630295827 953850896 /nfs/dbraw/zinc/85/08/96/953850896.db2.gz MRZVKZVMWVRBAV-KRWDZBQOSA-N -1 0 341.407 3.546 20 0 EHADRM C[C@H]1CCCN(C(=O)CCSc2cccc(Cl)c2)[C@H]1C(=O)[O-] ZINC001589325794 953907465 /nfs/dbraw/zinc/90/74/65/953907465.db2.gz KOKDYQQNUVYYPO-XHDPSFHLSA-N -1 0 341.860 3.534 20 0 EHADRM C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)c1c(Cl)cccc1Cl ZINC000643434369 953909579 /nfs/dbraw/zinc/90/95/79/953909579.db2.gz TZWGSRNCVZTNCK-GMTAPVOTSA-N -1 0 344.238 3.666 20 0 EHADRM C[C@@H]1CCCN(C(=O)CCc2ccc(C(C)(C)C)cc2)[C@H]1C(=O)[O-] ZINC001589326066 953910805 /nfs/dbraw/zinc/91/08/05/953910805.db2.gz PKBHMFKRCGIEMU-RDTXWAMCSA-N -1 0 331.456 3.628 20 0 EHADRM CN(C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)C1CCCCCC1 ZINC001593677284 953940380 /nfs/dbraw/zinc/94/03/80/953940380.db2.gz BOZJRWCSNMVCAG-SJORKVTESA-N -1 0 330.428 3.664 20 0 EHADRM CN(C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21)C1CCCCCC1 ZINC001593677283 953940758 /nfs/dbraw/zinc/94/07/58/953940758.db2.gz BOZJRWCSNMVCAG-IRXDYDNUSA-N -1 0 330.428 3.664 20 0 EHADRM C[C@@H](c1ccc(C(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])cc1)C(F)(F)F ZINC001589330244 953948556 /nfs/dbraw/zinc/94/85/56/953948556.db2.gz XHRNWKLXBNADOL-SUNKGSAMSA-N -1 0 343.345 3.678 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000647694757 953965418 /nfs/dbraw/zinc/96/54/18/953965418.db2.gz TVRWTMNXDBZJLI-PBHICJAKSA-N -1 0 348.443 3.686 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N(Cc2cccc(F)c2)C2CCCC2)C1 ZINC000653296674 954104774 /nfs/dbraw/zinc/10/47/74/954104774.db2.gz XQZPNRCIYXPSLZ-LSDHHAIUSA-N -1 0 333.403 3.598 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccccc2N2CCCCCC2)C1 ZINC000653307248 954119812 /nfs/dbraw/zinc/11/98/12/954119812.db2.gz HATZODGDGHPCAH-LSDHHAIUSA-N -1 0 330.428 3.506 20 0 EHADRM O=C([O-])C1(C(=O)N2CC[C@@H](Cc3ccccc3)C2)CCCCCC1 ZINC001594845756 954143514 /nfs/dbraw/zinc/14/35/14/954143514.db2.gz ACGAKDSGQKVKIQ-KRWDZBQOSA-N -1 0 329.440 3.503 20 0 EHADRM C[C@@H]1CCc2c(sc(NC(=O)C3(CCF)CC3)c2C(=O)[O-])C1 ZINC001589361154 954155283 /nfs/dbraw/zinc/15/52/83/954155283.db2.gz HFVWCGRZRCHTQL-SECBINFHSA-N -1 0 325.405 3.649 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000653535758 954182773 /nfs/dbraw/zinc/18/27/73/954182773.db2.gz CNQVALUXTOERMM-UHOFOFEASA-N -1 0 348.443 3.731 20 0 EHADRM Cc1cc(C(=O)NC[C@@H](C(=O)[O-])C(C)C)c(C)n1C1CCCCC1 ZINC000655570793 954209097 /nfs/dbraw/zinc/20/90/97/954209097.db2.gz KXBRKZDSRZHWLA-QGZVFWFLSA-N -1 0 334.460 3.697 20 0 EHADRM O=C([O-])C1(C(=O)N[C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)CCC1 ZINC001594854708 954216483 /nfs/dbraw/zinc/21/64/83/954216483.db2.gz UAXNPZRZPHNOCY-DZGCQCFKSA-N -1 0 335.831 3.737 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655581164 954222000 /nfs/dbraw/zinc/22/20/00/954222000.db2.gz IWESYMADYAWDQW-CKIKVBCHSA-N -1 0 349.393 3.607 20 0 EHADRM C[C@@H](NC(=O)N[C@@H](C)[C@@H](C)c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655868740 954256330 /nfs/dbraw/zinc/25/63/30/954256330.db2.gz GRYHYSGRDBMFAG-SSOQLKFYSA-N -1 0 346.471 3.613 20 0 EHADRM C[C@H](NC(=O)N1CC[C@H](CC(C)(C)C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655899362 954278893 /nfs/dbraw/zinc/27/88/93/954278893.db2.gz FKPNDIJYBVSFQV-LJISPDSOSA-N -1 0 338.492 3.590 20 0 EHADRM CCCCCN(C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C(C)C ZINC000655905815 954289425 /nfs/dbraw/zinc/28/94/25/954289425.db2.gz DDGLGZJZNDPSFO-SOUVJXGZSA-N -1 0 326.481 3.732 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccccc2COC(C)(C)C)CC[C@@H]1C(=O)[O-] ZINC001589387577 954312634 /nfs/dbraw/zinc/31/26/34/954312634.db2.gz NAHDPRMUHPUZKY-ZFWWWQNUSA-N -1 0 348.443 3.576 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc3cc(C(C)(C)C)ccc3[nH]2)CC[C@@H]1C(=O)[O-] ZINC001589392712 954338585 /nfs/dbraw/zinc/33/85/85/954338585.db2.gz QNGFKPMZEUYOFP-DOMZBBRYSA-N -1 0 342.439 3.648 20 0 EHADRM CC(C)(CCNC(=O)/C=C/c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000385677962 972008717 /nfs/dbraw/zinc/00/87/17/972008717.db2.gz CJPOJINKONPBOZ-ONEGZZNKSA-N -1 0 330.211 3.624 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)c1cc(F)c(Oc2ccccc2)c(F)c1 ZINC001593746043 954386312 /nfs/dbraw/zinc/38/63/12/954386312.db2.gz CPVJXIWTJAVIEK-UHFFFAOYSA-N -1 0 349.333 3.694 20 0 EHADRM CN(CCCC(=O)[O-])c1nc(Cl)c(C(F)(F)F)cc1Cl ZINC001593747765 954393751 /nfs/dbraw/zinc/39/37/51/954393751.db2.gz HGMGPJBQYMFDPV-UHFFFAOYSA-N -1 0 331.121 3.708 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1 ZINC000663035175 954408887 /nfs/dbraw/zinc/40/88/87/954408887.db2.gz WBGGTXPWXVPNAR-AWEZNQCLSA-N -1 0 329.400 3.516 20 0 EHADRM CC1CCN(c2cccc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)c2)CC1 ZINC000663100706 954485074 /nfs/dbraw/zinc/48/50/74/954485074.db2.gz FGCDMRHDLRSAJC-MRXNPFEDSA-N -1 0 332.444 3.608 20 0 EHADRM CC(C)[C@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])C[C@@H](C)O[C@H]2C ZINC001589409252 954503977 /nfs/dbraw/zinc/50/39/77/954503977.db2.gz WVVQAKHIWQZGIH-UTLUCORTSA-N -1 0 325.430 3.699 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1cccc(N2CCCC2)c1)CC(=O)[O-] ZINC000663342790 954537751 /nfs/dbraw/zinc/53/77/51/954537751.db2.gz OIFMDMYXMITSKV-HNNXBMFYSA-N -1 0 347.459 3.545 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)c1 ZINC000663345659 954538368 /nfs/dbraw/zinc/53/83/68/954538368.db2.gz ZSMILOJYXYRCMG-KGLIPLIRSA-N -1 0 336.432 3.653 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2ncc(C3CCCCC3)s2)CCC1 ZINC000663351572 954540606 /nfs/dbraw/zinc/54/06/06/954540606.db2.gz JSRGWSOHZLORLS-UHFFFAOYSA-N -1 0 337.445 3.567 20 0 EHADRM Cc1cc2cc[nH]c2cc1NC(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC000663353169 954541201 /nfs/dbraw/zinc/54/12/01/954541201.db2.gz HAOGTRGCRFSDPA-ZDUSSCGKSA-N -1 0 331.416 3.735 20 0 EHADRM O=C([O-])CCCCC(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000668323165 954568558 /nfs/dbraw/zinc/56/85/58/954568558.db2.gz RCIIQFOKKALOAP-MQMHXKEQSA-N -1 0 343.345 3.713 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)NCCCCC(=O)[O-])cn2)cc1 ZINC000669496140 954577377 /nfs/dbraw/zinc/57/73/77/954577377.db2.gz OMJKMMDELCEAQY-UHFFFAOYSA-N -1 0 343.383 3.559 20 0 EHADRM CC/C(=C/C(=O)N1CCC[C@@](CC)(C(=O)[O-])C1)c1ccc(OC)cc1 ZINC001589420016 954589320 /nfs/dbraw/zinc/58/93/20/954589320.db2.gz IYYHDKGTDIEUAV-AFRXXKALSA-N -1 0 345.439 3.592 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000679099045 954591249 /nfs/dbraw/zinc/59/12/49/954591249.db2.gz LBSJEJLKXCGPCT-INIZCTEOSA-N -1 0 347.455 3.681 20 0 EHADRM Cc1cc(CNC(=O)c2ccc(C(=O)[O-])nc2)ccc1-c1ccccc1 ZINC000681694367 954599432 /nfs/dbraw/zinc/59/94/32/954599432.db2.gz PFSZVHPUKAMGHJ-UHFFFAOYSA-N -1 0 346.386 3.685 20 0 EHADRM CC[C@@H](C(=O)N[C@H]1CCC[C@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001589429776 954645415 /nfs/dbraw/zinc/64/54/15/954645415.db2.gz KPHONQMKHBIAKM-MCIONIFRSA-N -1 0 343.345 3.569 20 0 EHADRM CCC(C)(C)C1CCC(NC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC001589448052 954784067 /nfs/dbraw/zinc/78/40/67/954784067.db2.gz WOCUPCLLHATTJG-LMPOIIKSSA-N -1 0 338.492 3.734 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)Cc2ccc(F)cc2Cl)c2ccccc21 ZINC001594919916 954800463 /nfs/dbraw/zinc/80/04/63/954800463.db2.gz JUPKRTDZNIMIKD-AWEZNQCLSA-N -1 0 347.773 3.627 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)Cc2cc3ccccc3o2)c2ccccc21 ZINC001594920278 954801658 /nfs/dbraw/zinc/80/16/58/954801658.db2.gz WNCDRTUTBHQQIC-INIZCTEOSA-N -1 0 335.359 3.580 20 0 EHADRM C[C@@](NC(=O)c1cccc2ccsc21)(C(=O)[O-])c1ccccc1 ZINC000386290545 972043337 /nfs/dbraw/zinc/04/33/37/972043337.db2.gz HTJMSTLZNZFWDU-SFHVURJKSA-N -1 0 325.389 3.631 20 0 EHADRM O=C([O-])C1CCN(c2ccc(CNc3cccc4cc[nH]c43)o2)CC1 ZINC001594940068 954874954 /nfs/dbraw/zinc/87/49/54/954874954.db2.gz UQUCPMVHUMZBKI-UHFFFAOYSA-N -1 0 339.395 3.674 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2)cc1 ZINC001589464820 954893074 /nfs/dbraw/zinc/89/30/74/954893074.db2.gz SGEFSRPLERXKJU-KBXCAEBGSA-N -1 0 341.407 3.728 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCC[C@@H]1/C=C/c1ccccc1)C(=O)[O-] ZINC001603008751 972057308 /nfs/dbraw/zinc/05/73/08/972057308.db2.gz DSAXIAHROWNMFT-NDZBKKTDSA-N -1 0 344.455 3.621 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N1C[C@@H](c2ccccc2)CC1(C)C)C(=O)[O-] ZINC001603008827 972058481 /nfs/dbraw/zinc/05/84/81/972058481.db2.gz JIEGWYRGXPMSNB-IRXDYDNUSA-N -1 0 346.471 3.711 20 0 EHADRM CCC(CC)(CNC(=O)NC[C@@H](Cc1ccccc1)C(C)C)C(=O)[O-] ZINC001589493864 955014934 /nfs/dbraw/zinc/01/49/34/955014934.db2.gz QKXARUUYVUJVRZ-QGZVFWFLSA-N -1 0 348.487 3.692 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)N2CCCc3cc(Cl)ccc32)co1 ZINC001594965645 955049710 /nfs/dbraw/zinc/04/97/10/955049710.db2.gz FUZNERGSRGWCBG-GQCTYLIASA-N -1 0 331.755 3.624 20 0 EHADRM CC[C@@H](C)Oc1cc(C(=O)Nc2cccc(CCC(=O)[O-])c2)ccn1 ZINC000761997952 955313217 /nfs/dbraw/zinc/31/32/17/955313217.db2.gz CDPMFUGCDTZRLU-CYBMUJFWSA-N -1 0 342.395 3.528 20 0 EHADRM CC(C)c1ccc(Oc2cc(C(=O)N[C@@H](C)CC(=O)[O-])ccn2)cc1 ZINC001589002063 955336580 /nfs/dbraw/zinc/33/65/80/955336580.db2.gz ITRCGHLLXVKBJX-ZDUSSCGKSA-N -1 0 342.395 3.590 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=S)Nc1ccccc1Oc1ccccc1 ZINC001589004830 955357133 /nfs/dbraw/zinc/35/71/33/955357133.db2.gz SLEPXJOWBJMXTB-LBPRGKRZSA-N -1 0 330.409 3.629 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc2c(c1)-c1ccccc1C2 ZINC000817872275 955375976 /nfs/dbraw/zinc/37/59/76/955375976.db2.gz OIBVKFCCDKGOLW-GUYCJALGSA-N -1 0 335.403 3.583 20 0 EHADRM Cn1cc(-c2csc(NC(=O)[C@@H]3CCC(C)(C)C3)c2C(=O)[O-])cn1 ZINC001594522790 955465690 /nfs/dbraw/zinc/46/56/90/955465690.db2.gz AYSSDCTVFIJLIL-SNVBAGLBSA-N -1 0 347.440 3.612 20 0 EHADRM CC(C)C[C@H](CNc1ccnc(Cc2ccccc2)n1)CC(=O)[O-] ZINC001603048152 972113067 /nfs/dbraw/zinc/11/30/67/972113067.db2.gz NLWQYGVGLQAGIB-INIZCTEOSA-N -1 0 327.428 3.616 20 0 EHADRM CCCCN(C)c1ccc(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000841836054 955594626 /nfs/dbraw/zinc/59/46/26/955594626.db2.gz PVTOFEAXZPCQFI-HNNXBMFYSA-N -1 0 347.459 3.642 20 0 EHADRM CCCCN(C)c1ccc(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000841836055 955594830 /nfs/dbraw/zinc/59/48/30/955594830.db2.gz PVTOFEAXZPCQFI-OAHLLOKOSA-N -1 0 347.459 3.642 20 0 EHADRM CC(C)C[C@H](CNC(=O)/C=C/c1nc2ccccc2s1)CC(=O)[O-] ZINC000846121770 955686541 /nfs/dbraw/zinc/68/65/41/955686541.db2.gz NSONWENHDYVXGP-GWJCSSMESA-N -1 0 346.452 3.563 20 0 EHADRM C/C(=C/C(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000846711983 955720388 /nfs/dbraw/zinc/72/03/88/955720388.db2.gz FDLUTGWOXUOMOG-KCSRWMALSA-N -1 0 341.329 3.573 20 0 EHADRM CC(C)Cc1ccc([C@H](NC(=O)N(C)C[C@H](C)C(=O)[O-])C2CC2)cc1 ZINC001603054451 972121295 /nfs/dbraw/zinc/12/12/95/972121295.db2.gz VGHNDZLAMPCVOH-KSSFIOAISA-N -1 0 346.471 3.698 20 0 EHADRM C[C@H](Cc1ccc(C(F)(F)F)cc1)c1nc([C@H](C)C(=O)[O-])no1 ZINC001589079004 955837562 /nfs/dbraw/zinc/83/75/62/955837562.db2.gz HXMRBFNJLSYIKE-BDAKNGLRSA-N -1 0 328.290 3.623 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001589080570 955848757 /nfs/dbraw/zinc/84/87/57/955848757.db2.gz GAJDUSAAXHAJCQ-BDJLRTHQSA-N -1 0 349.789 3.600 20 0 EHADRM C[C@@H](NC(=O)[C@H](C(=O)[O-])C(C)(C)C)c1cccc(OC(F)(F)F)c1 ZINC000852951687 955874518 /nfs/dbraw/zinc/87/45/18/955874518.db2.gz FRUJWUYTDWGHOV-BXKDBHETSA-N -1 0 347.333 3.509 20 0 EHADRM Cn1nc(C(=O)[O-])cc1C[N@H+](Cc1ccccc1)[C@@H]1CCCC1(C)C ZINC001594571770 955890237 /nfs/dbraw/zinc/89/02/37/955890237.db2.gz JJXQZTPYRNSRIZ-GOSISDBHSA-N -1 0 341.455 3.699 20 0 EHADRM C[C@H](NC(=O)[C@@]1(C(=O)[O-])CC1(C)C)c1cccc(Cl)c1Cl ZINC001589089152 955922841 /nfs/dbraw/zinc/92/28/41/955922841.db2.gz FGASPWSFTKOEQF-VXJOIVPMSA-N -1 0 330.211 3.672 20 0 EHADRM C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)C1(C(=O)[O-])CCC1 ZINC001589089647 955923665 /nfs/dbraw/zinc/92/36/65/955923665.db2.gz IZNHBGYQXWWLKL-QWRGUYRKSA-N -1 0 343.345 3.569 20 0 EHADRM C[C@H](NC(=O)C1(C(=O)[O-])CCC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC001589089646 955923796 /nfs/dbraw/zinc/92/37/96/955923796.db2.gz IZNHBGYQXWWLKL-MNOVXSKESA-N -1 0 343.345 3.569 20 0 EHADRM Cc1cc(SC(C)(C)C)ccc1NC(=O)c1cc(C(=O)[O-])nn1C ZINC000864108022 955937645 /nfs/dbraw/zinc/93/76/45/955937645.db2.gz IWPPGMCKWVXKPZ-UHFFFAOYSA-N -1 0 347.440 3.570 20 0 EHADRM COc1cc(C)cc(C(=O)Nc2cccc(CCC(=O)[O-])c2)c1C ZINC000864135018 955957481 /nfs/dbraw/zinc/95/74/81/955957481.db2.gz HEIKMNVOFBNQLG-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM Cc1ccc(-c2ccc(C)c(NC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)c2)o1 ZINC000864603632 956002878 /nfs/dbraw/zinc/00/28/78/956002878.db2.gz FBRLHQOWVCMFGK-OKILXGFUSA-N -1 0 328.368 3.548 20 0 EHADRM C[C@H](c1ccccc1)[C@H](C)NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001589108597 956047632 /nfs/dbraw/zinc/04/76/32/956047632.db2.gz LHDJDOFHVVIESD-KBPBESRZSA-N -1 0 326.396 3.627 20 0 EHADRM CC(C)Oc1ccc(CNC(=O)C2(C(=O)[O-])CCCCCC2)cc1 ZINC001603080720 972153526 /nfs/dbraw/zinc/15/35/26/972153526.db2.gz YWTHKKJVDZMJGY-UHFFFAOYSA-N -1 0 333.428 3.515 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Nc1ccc(-c2ncco2)cc1 ZINC000899312149 956282527 /nfs/dbraw/zinc/28/25/27/956282527.db2.gz UGEMKGBKTAQKKK-HNNXBMFYSA-N -1 0 343.383 3.593 20 0 EHADRM CSc1cc(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)co1 ZINC000901551765 956336785 /nfs/dbraw/zinc/33/67/85/956336785.db2.gz NHGLTLONODHUHL-UHFFFAOYSA-N -1 0 345.420 3.720 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)N2CCC[C@@H]2CCc2ccccc2)co1 ZINC000901841221 956498774 /nfs/dbraw/zinc/49/87/74/956498774.db2.gz VPUYHMFRVAWWLY-SXSDINLZSA-N -1 0 339.391 3.615 20 0 EHADRM Nc1c(Cl)cc(NC(=O)c2coc(/C=C/C(=O)[O-])c2)cc1Cl ZINC001594662872 956546690 /nfs/dbraw/zinc/54/66/90/956546690.db2.gz HDVYYZDKXUONJP-OWOJBTEDSA-N -1 0 341.150 3.519 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)c1cc(Cl)cc(Cl)c1F ZINC000901998755 956598049 /nfs/dbraw/zinc/59/80/49/956598049.db2.gz MJGYJKISGLFMNG-VIFPVBQESA-N -1 0 334.174 3.602 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)c2cscc2C(F)F)c2ccccc21 ZINC000902014012 956604000 /nfs/dbraw/zinc/60/40/00/956604000.db2.gz CNBFECJOMMIXEC-GWCFXTLKSA-N -1 0 337.347 3.729 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)c2cscc2C(F)F)c2ccccc21 ZINC000902014015 956604396 /nfs/dbraw/zinc/60/43/96/956604396.db2.gz CNBFECJOMMIXEC-GXFFZTMASA-N -1 0 337.347 3.729 20 0 EHADRM C[C@H](CCc1ccc(F)cc1)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000902029634 956619489 /nfs/dbraw/zinc/61/94/89/956619489.db2.gz MTMQJEMKNGPUSR-UTJXIGIESA-N -1 0 349.446 3.646 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CCC(c2ccccc2F)CC1 ZINC001589200772 956633367 /nfs/dbraw/zinc/63/33/67/956633367.db2.gz BGAIQPNKVRAZOJ-UHFFFAOYSA-N -1 0 347.430 3.669 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)Nc1cccc(COCC2CC2)c1 ZINC001589206581 956668941 /nfs/dbraw/zinc/66/89/41/956668941.db2.gz DPLNTUDAJSYXRE-UHFFFAOYSA-N -1 0 345.439 3.689 20 0 EHADRM CC1(C)C(NC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)C1(C)C ZINC001589206763 956671143 /nfs/dbraw/zinc/67/11/43/956671143.db2.gz LOZGGYFRYJUQMK-UHFFFAOYSA-N -1 0 328.771 3.733 20 0 EHADRM CC1(C)C[C@@H](c2ccccc2)CN1C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001589211843 956696089 /nfs/dbraw/zinc/69/60/89/956696089.db2.gz MUZRJMUZWWMHEM-OAHLLOKOSA-N -1 0 339.395 3.580 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Oc1cc(Br)ccc1Cl ZINC001589220297 956766597 /nfs/dbraw/zinc/76/65/97/956766597.db2.gz NYZDFISVFYKNTR-CYBMUJFWSA-N -1 0 347.592 3.509 20 0 EHADRM CC1(C)CCC(C)(C)c2cc(C(=O)Nc3c[nH]nc3C(=O)[O-])ccc21 ZINC001589220654 956773462 /nfs/dbraw/zinc/77/34/62/956773462.db2.gz FUOMUBWDLFPQFM-UHFFFAOYSA-N -1 0 341.411 3.709 20 0 EHADRM CC1(C)CC[C@H](NC(=O)C2(C(=O)[O-])CCSCC2)c2ccccc21 ZINC001589224938 956786324 /nfs/dbraw/zinc/78/63/24/956786324.db2.gz QRIBWXVIICLIHD-HNNXBMFYSA-N -1 0 347.480 3.513 20 0 EHADRM CC1(C)CCC[C@@H]1[C@@H]1CCN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)C1 ZINC001589226140 956797093 /nfs/dbraw/zinc/79/70/93/956797093.db2.gz ZWRBFRXHYKAWDE-AQGQNPDFSA-N -1 0 331.412 3.666 20 0 EHADRM O=C([O-])CC[C@H]1Cc2ccccc2N(Cc2ncc(C3CC3)o2)C1 ZINC000903417580 956847780 /nfs/dbraw/zinc/84/77/80/956847780.db2.gz YPSZQJLSQWVPGA-ZDUSSCGKSA-N -1 0 326.396 3.596 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)O[C@@H]1CCSc2ccccc21 ZINC001594709987 956872973 /nfs/dbraw/zinc/87/29/73/956872973.db2.gz ICHHRNNFFXZPKT-OAHLLOKOSA-N -1 0 328.389 3.708 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)Cc2coc3cc(Cl)ccc23)c1 ZINC001594712138 956893209 /nfs/dbraw/zinc/89/32/09/956893209.db2.gz XOWNRZXPWBMDGR-UHFFFAOYSA-N -1 0 343.766 3.643 20 0 EHADRM O=C([O-])c1cccc(NC(=O)Cc2scnc2-c2ccccc2)c1 ZINC001594714421 956908869 /nfs/dbraw/zinc/90/88/69/956908869.db2.gz GLVUJICJCAPPQA-UHFFFAOYSA-N -1 0 338.388 3.690 20 0 EHADRM Cc1cccc(NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)c1F ZINC000904205171 956923477 /nfs/dbraw/zinc/92/34/77/956923477.db2.gz PJCXZFPHJAMXGJ-UHFFFAOYSA-N -1 0 332.375 3.640 20 0 EHADRM COc1cc(NCc2cc(C)c(C(=O)[O-])o2)c(OC)cc1Cl ZINC000389479969 972229107 /nfs/dbraw/zinc/22/91/07/972229107.db2.gz PRRBVHVUCLZRTE-UHFFFAOYSA-N -1 0 325.748 3.569 20 0 EHADRM C[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000013176981 956958362 /nfs/dbraw/zinc/95/83/62/956958362.db2.gz SDUVNIOOSSWNGK-SUMWQHHRSA-N -1 0 329.371 3.652 20 0 EHADRM O=C([O-])c1cc(Br)ccc1NC(=O)c1cccc(F)c1 ZINC000013177661 956959329 /nfs/dbraw/zinc/95/93/29/956959329.db2.gz KMOWRSQWVXDVRW-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM CC[C@H](CNC(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C)C(=O)[O-] ZINC000905053857 956959843 /nfs/dbraw/zinc/95/98/43/956959843.db2.gz IBTRGJAJZJFXMY-LSDHHAIUSA-N -1 0 347.459 3.606 20 0 EHADRM CSCc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C)cc2)cc1 ZINC000013181000 956966581 /nfs/dbraw/zinc/96/65/81/956966581.db2.gz ISWHHJSWLLJDMN-KRWDZBQOSA-N -1 0 343.448 3.804 20 0 EHADRM Cc1cccc(-c2nnc(SCc3ccc(C(=O)[O-])cc3)n2C)c1 ZINC000013236797 956987666 /nfs/dbraw/zinc/98/76/66/956987666.db2.gz WLBJPDUVRCEGBB-UHFFFAOYSA-N -1 0 339.420 3.781 20 0 EHADRM Cn1c(SCc2occc2C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000013255594 956993426 /nfs/dbraw/zinc/99/34/26/956993426.db2.gz PKYFXOVOKFNVKF-UHFFFAOYSA-N -1 0 349.799 3.719 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cc2ccc(F)cc2nc1C ZINC000013258743 956997071 /nfs/dbraw/zinc/99/70/71/956997071.db2.gz XZDKYYYLNBLMJE-UHFFFAOYSA-N -1 0 338.338 3.941 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)c2ccc(-n3cccc3)cc2)c2ccccc21 ZINC001594726222 957005667 /nfs/dbraw/zinc/00/56/67/957005667.db2.gz KIXLJBLTOZBZBZ-OALUTQOASA-N -1 0 346.386 3.520 20 0 EHADRM CC(C)(CC(=O)NCCCCC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000909188807 957008299 /nfs/dbraw/zinc/00/82/99/957008299.db2.gz XPTPEOYZBAAFDR-UHFFFAOYSA-N -1 0 325.836 3.670 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)N[C@H]2C[C@@H]2C2CCCCC2)c2ccccc21 ZINC001594726881 957014306 /nfs/dbraw/zinc/01/43/06/957014306.db2.gz PBENJRUUIIMCCV-XDNAFOTISA-N -1 0 342.439 3.568 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC001589257938 957015200 /nfs/dbraw/zinc/01/52/00/957015200.db2.gz DSXAXRAHGAWHCN-BIGGFVEDSA-N -1 0 335.403 3.641 20 0 EHADRM CC/C(=C\C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccc(OC)cc1 ZINC000909476536 957019103 /nfs/dbraw/zinc/01/91/03/957019103.db2.gz FDOTYXYXJVHCAQ-XERWBJCMSA-N -1 0 345.439 3.592 20 0 EHADRM C[C@@H](CCC(C)(C)C)NC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001603142635 972234958 /nfs/dbraw/zinc/23/49/58/972234958.db2.gz RRVGEPMBNHMFMC-LIRRHRJNSA-N -1 0 334.460 3.543 20 0 EHADRM O=C([O-])C[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1cccs1 ZINC000013388870 957040929 /nfs/dbraw/zinc/04/09/29/957040929.db2.gz HAQLJQGCMIDXEL-LJLILKBBSA-N -1 0 335.812 3.747 20 0 EHADRM CCc1ccc(CCC(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000013389706 957042539 /nfs/dbraw/zinc/04/25/39/957042539.db2.gz LUJXBGGDMYODQA-HNNXBMFYSA-N -1 0 331.437 3.575 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc2c(c1)CCCC2)c1cccs1 ZINC000013389746 957042877 /nfs/dbraw/zinc/04/28/77/957042877.db2.gz USXUQEAHVBWEMW-OAHLLOKOSA-N -1 0 329.421 3.573 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)COc1ccccc1C(C)C ZINC000013390857 957046176 /nfs/dbraw/zinc/04/61/76/957046176.db2.gz IRWPVCZUDXZISU-UHFFFAOYSA-N -1 0 327.380 3.834 20 0 EHADRM CCCN(Cc1ccc(C)cc1)C(=O)COc1cccc(C(=O)[O-])c1 ZINC000013419262 957060685 /nfs/dbraw/zinc/06/06/85/957060685.db2.gz ZNYCRHYHHGPPGT-UHFFFAOYSA-N -1 0 341.407 3.511 20 0 EHADRM CN(C(=O)CCSc1ccc(F)cc1)c1ccccc1C(=O)[O-] ZINC000013440567 957079378 /nfs/dbraw/zinc/07/93/78/957079378.db2.gz XIRHLUXHQNCIIS-UHFFFAOYSA-N -1 0 333.384 3.669 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)NC[C@@H]2CCCCC2(F)F)c1 ZINC000389682527 972239789 /nfs/dbraw/zinc/23/97/89/972239789.db2.gz HSXAMZMMILXXKB-JTQLQIEISA-N -1 0 346.761 3.985 20 0 EHADRM CCCC[C@H](NC(=O)CCSc1ccc(Cl)cc1)C(=O)[O-] ZINC000035095526 957196789 /nfs/dbraw/zinc/19/67/89/957196789.db2.gz SUHUAGZMKGYILO-ZDUSSCGKSA-N -1 0 329.849 3.582 20 0 EHADRM O=C([O-])CCCCCNC(=O)N(Cc1cccc(F)c1)C1CCC1 ZINC001121900271 957227339 /nfs/dbraw/zinc/22/73/39/957227339.db2.gz MKABVKXKWZCPCL-UHFFFAOYSA-N -1 0 336.407 3.535 20 0 EHADRM COc1ccc2cc(C(=O)N[C@](C)(C(=O)[O-])c3ccccc3)ccc2c1 ZINC001254211303 957252488 /nfs/dbraw/zinc/25/24/88/957252488.db2.gz QRGVVQBAGKHNJZ-NRFANRHFSA-N -1 0 349.386 3.578 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 ZINC001319264859 957302282 /nfs/dbraw/zinc/30/22/82/957302282.db2.gz OQZWNNGCSZOZMP-GFCCVEGCSA-N -1 0 347.798 3.512 20 0 EHADRM Cc1oc(CNC(=O)c2cc(Cl)ccc2Cl)cc1C(=O)[O-] ZINC000038059671 957354688 /nfs/dbraw/zinc/35/46/88/957354688.db2.gz DGBIKQJIWPACEZ-UHFFFAOYSA-N -1 0 328.151 3.523 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NC[C@@H]2CCCC2(F)F)cc1Cl ZINC000390030369 972261930 /nfs/dbraw/zinc/26/19/30/972261930.db2.gz YPNFNAFPQJXOCZ-QMMMGPOBSA-N -1 0 332.734 3.595 20 0 EHADRM Cc1cc(NC(=O)Cc2cccc(C(F)(F)F)c2)sc1C(=O)[O-] ZINC000390320739 972275280 /nfs/dbraw/zinc/27/52/80/972275280.db2.gz QHILFBFSEIPEOM-UHFFFAOYSA-N -1 0 343.326 3.955 20 0 EHADRM Cc1ccc(NC(=O)c2csc(-c3ccco3)n2)c(C(=O)[O-])c1 ZINC000390361448 972278374 /nfs/dbraw/zinc/27/83/74/972278374.db2.gz MGMXIFGVAOQAPI-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM Cc1cccc(O[C@@H](C)C(=O)Oc2ccc(Cl)cc2C(=O)[O-])c1 ZINC000066143470 957640501 /nfs/dbraw/zinc/64/05/01/957640501.db2.gz ZKEJUTSQXDKUET-NSHDSACASA-N -1 0 334.755 3.720 20 0 EHADRM Cc1cc(C(=O)CS[C@@H](C)C(=O)[O-])c(C)n1Cc1ccccc1 ZINC001594274527 957711285 /nfs/dbraw/zinc/71/12/85/957711285.db2.gz UNVHLUNCONYAJC-AWEZNQCLSA-N -1 0 331.437 3.542 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)CCCc2ccc(Cl)cc2)cc1 ZINC000075242763 957742095 /nfs/dbraw/zinc/74/20/95/957742095.db2.gz GPNFBAQDUAYZOS-UHFFFAOYSA-N -1 0 331.799 3.677 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NCc2ccc(C3CC3)cc2F)c1 ZINC001594285291 957772591 /nfs/dbraw/zinc/77/25/91/957772591.db2.gz HGUZVFLYZIOZTM-UHFFFAOYSA-N -1 0 327.355 3.640 20 0 EHADRM Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001594288338 957796798 /nfs/dbraw/zinc/79/67/98/957796798.db2.gz KRIWRRMTIDENOI-UHFFFAOYSA-N -1 0 335.363 3.644 20 0 EHADRM Cc1cc(C)c(CCNC(=O)C2(C(=O)[O-])CCCCCC2)c(C)c1 ZINC001594292469 957835181 /nfs/dbraw/zinc/83/51/81/957835181.db2.gz LCTQNTQUNFBGJY-UHFFFAOYSA-N -1 0 331.456 3.696 20 0 EHADRM O=C([O-])c1ccc(COC(=O)C2(c3ccnc4ccccc43)CC2)cc1 ZINC001574802807 957841579 /nfs/dbraw/zinc/84/15/79/957841579.db2.gz OEWVZBGSOUWDJR-UHFFFAOYSA-N -1 0 347.370 3.708 20 0 EHADRM O=C([O-])c1cccc(C(=O)Oc2cccc(OC(F)(F)F)c2)c1 ZINC001574807073 957859797 /nfs/dbraw/zinc/85/97/97/957859797.db2.gz DKOQQLSEFPMQHW-UHFFFAOYSA-N -1 0 326.226 3.503 20 0 EHADRM Cc1cc(C)c2cc(C(=O)NCc3ccccc3C(=O)[O-])sc2n1 ZINC001594294407 957860017 /nfs/dbraw/zinc/86/00/17/957860017.db2.gz KYXJQNOIXRMGAB-UHFFFAOYSA-N -1 0 340.404 3.541 20 0 EHADRM CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)C1(C(=O)[O-])CCCCCC1 ZINC001594043913 957903643 /nfs/dbraw/zinc/90/36/43/957903643.db2.gz NPLOUFSGTQVJTI-HUUCEWRRSA-N -1 0 325.449 3.628 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)c2cc(Cl)c3ccccc3c2[O-])c1 ZINC001574820539 957908041 /nfs/dbraw/zinc/90/80/41/957908041.db2.gz RUNSXZIOQLZABO-UHFFFAOYSA-N -1 0 342.738 3.544 20 0 EHADRM Cc1c2ccccc2oc1CNC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001341244920 957956894 /nfs/dbraw/zinc/95/68/94/957956894.db2.gz RUWWVBMFRUTAHR-AWEZNQCLSA-N -1 0 344.411 3.528 20 0 EHADRM CCN(Cc1ccc(C)cc1)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001341328028 957969969 /nfs/dbraw/zinc/96/99/69/957969969.db2.gz SOBXLYVHJCUJEA-BHYGNILZSA-N -1 0 346.471 3.662 20 0 EHADRM CCC1(C(=O)N2CCC[C@@](CC)(C(=O)[O-])C2)CCC(F)(F)CC1 ZINC001342724021 958013504 /nfs/dbraw/zinc/01/35/04/958013504.db2.gz RJXPKYYSJLJASP-MRXNPFEDSA-N -1 0 331.403 3.696 20 0 EHADRM Cc1cc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)ccc1Cl ZINC001594319806 958115242 /nfs/dbraw/zinc/11/52/42/958115242.db2.gz QKPAXJIMQFJPED-CQSZACIVSA-N -1 0 336.750 3.735 20 0 EHADRM COc1cc(NCc2ccc(C(=O)[O-])s2)ccc1OC(F)F ZINC001594065792 958130304 /nfs/dbraw/zinc/13/03/04/958130304.db2.gz RPYFHUXDSYUMGH-UHFFFAOYSA-N -1 0 329.324 3.668 20 0 EHADRM Cc1ccccc1C(C)(C)CNC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001352989926 958130318 /nfs/dbraw/zinc/13/03/18/958130318.db2.gz WPYHVFUVEJWTAQ-INIZCTEOSA-N -1 0 346.471 3.559 20 0 EHADRM Cc1cc(NC(=O)Nc2cc3c(cc2Cl)OCO3)ccc1C(=O)[O-] ZINC001594323217 958139518 /nfs/dbraw/zinc/13/95/18/958139518.db2.gz FYRSMAWKQPGVRZ-UHFFFAOYSA-N -1 0 348.742 3.719 20 0 EHADRM Cc1cc(O[C@@H](C)C(=O)Nc2ncccc2C(=O)[O-])ccc1C(C)C ZINC001594327930 958187994 /nfs/dbraw/zinc/18/79/94/958187994.db2.gz FFJPHWOUMIXRJQ-ZDUSSCGKSA-N -1 0 342.395 3.618 20 0 EHADRM C[C@@H](NC(=O)C1(C(=O)[O-])CCCCCC1)c1c(F)cccc1F ZINC001603216077 972329752 /nfs/dbraw/zinc/32/97/52/972329752.db2.gz NTMIFWHGJIFEJI-LLVKDONJSA-N -1 0 325.355 3.567 20 0 EHADRM CC(C)(c1csc(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])n1)c1ccccc1 ZINC001550343852 958289353 /nfs/dbraw/zinc/28/93/53/958289353.db2.gz OVNKVOLQCAYRMZ-QWHCGFSZSA-N -1 0 344.436 3.518 20 0 EHADRM COc1ccc(/C=C(/C)C(=O)Nc2cccc(C(=O)[O-])c2)cc1F ZINC001594086566 958319267 /nfs/dbraw/zinc/31/92/67/958319267.db2.gz AGWJFIJUKKZFCF-FLIBITNWSA-N -1 0 329.327 3.575 20 0 EHADRM Cc1ccc(C)c(OCCCCC(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])c1 ZINC001594352387 958375147 /nfs/dbraw/zinc/37/51/47/958375147.db2.gz XIIVPBQLHBUVDO-LPHOPBHVSA-N -1 0 347.455 3.564 20 0 EHADRM Cc1ccc([C@H]2CCN(C(=O)NC[C@H](C(=O)[O-])C(C)C)C2(C)C)cc1 ZINC001594354135 958397691 /nfs/dbraw/zinc/39/76/91/958397691.db2.gz PBQMQYOACZQYGJ-DLBZAZTESA-N -1 0 346.471 3.629 20 0 EHADRM Cc1ccc(C[C@@H]2CCCN(C(=O)[C@H](C(=O)[O-])C(C)(C)C)C2)cc1 ZINC001594354802 958402965 /nfs/dbraw/zinc/40/29/65/958402965.db2.gz HIJDVOWFCUSUAP-DLBZAZTESA-N -1 0 331.456 3.523 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2cccnc2C(=O)[O-])o1 ZINC001594355061 958405991 /nfs/dbraw/zinc/40/59/91/958405991.db2.gz ZRCCUZXNIDWILN-FZMZJTMJSA-N -1 0 343.383 3.686 20 0 EHADRM COc1ccc(Nc2nc(C(C)(C)C(=O)[O-])cs2)cc1Cl ZINC000124095024 958519295 /nfs/dbraw/zinc/51/92/95/958519295.db2.gz NONSGWDWNDMHIH-UHFFFAOYSA-N -1 0 326.805 3.911 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2CC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001594112379 958527090 /nfs/dbraw/zinc/52/70/90/958527090.db2.gz NIBAQGZVRWFAPU-BHYGNILZSA-N -1 0 347.455 3.585 20 0 EHADRM Cc1ccc(NC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc1C ZINC001594370654 958540690 /nfs/dbraw/zinc/54/06/90/958540690.db2.gz DPANEKSYQGVJHZ-ZWKOTPCHSA-N -1 0 338.407 3.636 20 0 EHADRM Cc1ccc(NC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c(C)c1 ZINC001594370635 958540817 /nfs/dbraw/zinc/54/08/17/958540817.db2.gz BFSUOJMVNMIHQT-DLBZAZTESA-N -1 0 338.407 3.636 20 0 EHADRM Cc1ccc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)c2n[nH]cc21 ZINC001594372705 958549482 /nfs/dbraw/zinc/54/94/82/958549482.db2.gz DPAKVAXMDMACGR-UHFFFAOYSA-N -1 0 338.367 3.533 20 0 EHADRM C=COc1ccc(NC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC001588474679 958558164 /nfs/dbraw/zinc/55/81/64/958558164.db2.gz NADQLRNDIJKIHE-DLBZAZTESA-N -1 0 338.363 3.644 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)Nc2ccc3sccc3c2)cc1 ZINC000391704563 972359064 /nfs/dbraw/zinc/35/90/64/972359064.db2.gz DBUAREUJIZOXNH-UHFFFAOYSA-N -1 0 340.404 3.964 20 0 EHADRM O=C([O-])c1coc(COc2c(F)cc(F)cc2Br)c1 ZINC000126263045 958583996 /nfs/dbraw/zinc/58/39/96/958583996.db2.gz PCDKIQVSSFRFGX-UHFFFAOYSA-N -1 0 333.084 3.598 20 0 EHADRM Cc1ccc(OCCC(=O)OCc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC001594375834 958586612 /nfs/dbraw/zinc/58/66/12/958586612.db2.gz QGBXWZJODHQVON-UHFFFAOYSA-N -1 0 328.364 3.514 20 0 EHADRM COc1cccc(C[C@H](C)CC(=O)NC2(CC(=O)[O-])CCCCC2)c1 ZINC001594126249 958641800 /nfs/dbraw/zinc/64/18/00/958641800.db2.gz LBOQKRSEYFVKBI-HNNXBMFYSA-N -1 0 347.455 3.558 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)c1cc(Cl)c(Cl)n1C ZINC000128201586 958645151 /nfs/dbraw/zinc/64/51/51/958645151.db2.gz IVLWYJXKVSFWMT-UHFFFAOYSA-N -1 0 333.196 3.652 20 0 EHADRM Cc1ccc2cccc(NC(=O)NCc3ccccc3C(=O)[O-])c2n1 ZINC001594383146 958650842 /nfs/dbraw/zinc/65/08/42/958650842.db2.gz QNLZGQOIBWDLIN-UHFFFAOYSA-N -1 0 335.363 3.563 20 0 EHADRM COc1cccc(Cl)c1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001594130459 958659974 /nfs/dbraw/zinc/65/99/74/958659974.db2.gz GOTCURSHGGFQCV-UHFFFAOYSA-N -1 0 334.759 3.620 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NCC1(Cc2cccc(Cl)c2)CC1 ZINC001573389913 958689805 /nfs/dbraw/zinc/68/98/05/958689805.db2.gz GMAFARPAIOPFDM-CQSZACIVSA-N -1 0 337.847 3.526 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)CCCCc1cccc(O)c1)C(=O)[O-] ZINC001573394879 958712855 /nfs/dbraw/zinc/71/28/55/958712855.db2.gz HQTCNTYFXBPSOD-MRXNPFEDSA-N -1 0 335.444 3.501 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2ccc(C(F)F)c(F)c2)C(=O)[O-])c1 ZINC001594395353 958766354 /nfs/dbraw/zinc/76/63/54/958766354.db2.gz ZRCXKRXJADHIRL-AWEZNQCLSA-N -1 0 337.297 3.627 20 0 EHADRM O=C([O-])c1sc2cccc(F)c2c1COc1cccnc1[N+](=O)[O-] ZINC000391803197 972376758 /nfs/dbraw/zinc/37/67/58/972376758.db2.gz UQBJARMKYMYQBC-UHFFFAOYSA-N -1 0 348.311 3.621 20 0 EHADRM Cc1ccc(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1C(F)(F)F ZINC000263064015 1125468960 /nfs/dbraw/zinc/46/89/60/1125468960.db2.gz FWDQCNNHCNBSLS-GXSJLCMTSA-N -1 0 344.333 3.588 20 0 EHADRM CC(C)(C)c1ccc(CSCC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001573462946 958924542 /nfs/dbraw/zinc/92/45/42/958924542.db2.gz SXIBSKVNHXBGDB-ZBFHGGJFSA-N -1 0 349.496 3.587 20 0 EHADRM CC(C)[C@@H](CNC(=O)[C@@]1(C(=O)[O-])CC1(C)C)c1ccc(Cl)cc1 ZINC001573489212 958995507 /nfs/dbraw/zinc/99/55/07/958995507.db2.gz BDVVFEYYFWBWBV-RDTXWAMCSA-N -1 0 337.847 3.697 20 0 EHADRM Cc1ccccc1C1(CNC(=O)[C@@H](C(=O)[O-])C(C)C)CCCCC1 ZINC001594416783 959010307 /nfs/dbraw/zinc/01/03/07/959010307.db2.gz LBGFDTWBDLOEIU-KRWDZBQOSA-N -1 0 331.456 3.670 20 0 EHADRM Cc1ccccc1Sc1ccc(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cc1 ZINC001594419091 959043390 /nfs/dbraw/zinc/04/33/90/959043390.db2.gz ZXRRNXVTMNQCFA-SHTZXODSSA-N -1 0 341.432 3.739 20 0 EHADRM CC(C)c1ccccc1NC(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000392022204 972401054 /nfs/dbraw/zinc/40/10/54/972401054.db2.gz VXALNKZRADLDPG-HNNXBMFYSA-N -1 0 344.333 3.681 20 0 EHADRM CSCc1cccc(NC(=O)NCc2ccccc2C(=O)[O-])c1 ZINC001594188200 959140509 /nfs/dbraw/zinc/14/05/09/959140509.db2.gz PIFOUFLKDFBXDV-UHFFFAOYSA-N -1 0 330.409 3.570 20 0 EHADRM CSc1ccc(N(C)C(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC001594194271 959186532 /nfs/dbraw/zinc/18/65/32/959186532.db2.gz VOMPXQZYDZXBDO-UHFFFAOYSA-N -1 0 330.409 3.704 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1)C(=O)[O-] ZINC001594203869 959262611 /nfs/dbraw/zinc/26/26/11/959262611.db2.gz ONMBIJVRRGWPMX-SECBINFHSA-N -1 0 336.750 3.741 20 0 EHADRM CC(C)c1c(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cnn1-c1ccccc1 ZINC001573559326 959272207 /nfs/dbraw/zinc/27/22/07/959272207.db2.gz KBJYMNVEEWFBAS-HNNXBMFYSA-N -1 0 343.427 3.681 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)Cc1ccc(C2CCCCC2)cc1)C1CC1 ZINC001588584831 959295153 /nfs/dbraw/zinc/29/51/53/959295153.db2.gz NYPARXGCKIVPGK-AWEZNQCLSA-N -1 0 329.440 3.741 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(-n3cccc3)cc2)c(F)cc1F ZINC000392198438 972424992 /nfs/dbraw/zinc/42/49/92/972424992.db2.gz WDOHLPAVSLJMDT-UHFFFAOYSA-N -1 0 342.301 3.706 20 0 EHADRM C[C@@H](C(=O)[O-])c1noc(Cc2csc(-c3ccc(Cl)cc3)n2)n1 ZINC001588601624 959427036 /nfs/dbraw/zinc/42/70/36/959427036.db2.gz GPUWUGCXDZRJSK-MRVPVSSYSA-N -1 0 349.799 3.625 20 0 EHADRM Cc1nc2sc3c(c2c(N([C@H](C)C(=O)[O-])C2CC2)n1)CC[C@H](C)C3 ZINC001594458386 959441730 /nfs/dbraw/zinc/44/17/30/959441730.db2.gz YSRSKBNPSIJQKH-VHSXEESVSA-N -1 0 345.468 3.566 20 0 EHADRM C[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000181905665 959444357 /nfs/dbraw/zinc/44/43/57/959444357.db2.gz CFQKWPQPJCJURA-ZBEGNZNMSA-N -1 0 349.789 3.600 20 0 EHADRM C[C@@H](NC(=O)c1cc(C(=O)[O-])co1)c1cc(F)c(Cl)cc1Cl ZINC000183790072 959448782 /nfs/dbraw/zinc/44/87/82/959448782.db2.gz QWEWEQXYFWQBCS-ZCFIWIBFSA-N -1 0 346.141 3.915 20 0 EHADRM COc1ccc2oc([C@@H](C)NC(=O)c3cc(C(=O)[O-])co3)c(C)c2c1 ZINC000183785593 959449164 /nfs/dbraw/zinc/44/91/64/959449164.db2.gz GMLSTXGALSVXSN-SNVBAGLBSA-N -1 0 343.335 3.532 20 0 EHADRM C[C@H](CSCc1ccccc1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001573607916 959460260 /nfs/dbraw/zinc/46/02/60/959460260.db2.gz JRFZWUJUQNOVEF-HZPDHXFCSA-N -1 0 349.496 3.659 20 0 EHADRM CCCC[C@H](NC(=O)CCCCc1nc2ccccc2s1)C(=O)[O-] ZINC000184953095 959478507 /nfs/dbraw/zinc/47/85/07/959478507.db2.gz QFPRDFAIVAAVCK-AWEZNQCLSA-N -1 0 348.468 3.769 20 0 EHADRM C[C@@](NC(=O)c1ccc(-c2ccco2)s1)(C(=O)[O-])c1ccccc1 ZINC001573622152 959517329 /nfs/dbraw/zinc/51/73/29/959517329.db2.gz FJBPZBCOWHUESW-SFHVURJKSA-N -1 0 341.388 3.738 20 0 EHADRM C[C@@](NC(=O)c1ccc(-c2cccs2)o1)(C(=O)[O-])c1ccccc1 ZINC001573623467 959525793 /nfs/dbraw/zinc/52/57/93/959525793.db2.gz SSWMIXQRSPKWGE-SFHVURJKSA-N -1 0 341.388 3.738 20 0 EHADRM C[C@@H](CN(C)C(=O)c1cccc(Oc2ccc(Cl)cc2)c1)C(=O)[O-] ZINC000190929436 959529442 /nfs/dbraw/zinc/52/94/42/959529442.db2.gz DPJIMCJSRZVZIP-LBPRGKRZSA-N -1 0 347.798 3.925 20 0 EHADRM Cc1cc(Cl)c(C(=O)Nc2ccc(OCC(=O)[O-])cc2C)cc1C ZINC000190948321 959532921 /nfs/dbraw/zinc/53/29/21/959532921.db2.gz CBROJRAWHOXABS-UHFFFAOYSA-N -1 0 347.798 3.981 20 0 EHADRM C[C@@H](CN(C(=O)CCCc1ccc2ccccc2c1)C1CC1)C(=O)[O-] ZINC000191165882 959543053 /nfs/dbraw/zinc/54/30/53/959543053.db2.gz INNUSNPXQWMKSQ-HNNXBMFYSA-N -1 0 339.435 3.874 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)c1cc(F)cc2cccnc21 ZINC000191180253 959543112 /nfs/dbraw/zinc/54/31/12/959543112.db2.gz ZNYWUBSLZNGHPH-UHFFFAOYSA-N -1 0 332.375 3.529 20 0 EHADRM CN(C(=O)CCCc1c[nH]c2ccccc12)C1(C(=O)[O-])CCCCC1 ZINC000191298388 959551699 /nfs/dbraw/zinc/55/16/99/959551699.db2.gz ANOCFUTYZCSZDO-UHFFFAOYSA-N -1 0 342.439 3.737 20 0 EHADRM Cc1ncoc1-c1ccc(NC(=O)c2coc(/C=C/C(=O)[O-])c2)cc1 ZINC001594474504 959576047 /nfs/dbraw/zinc/57/60/47/959576047.db2.gz AJANMESOCJPKPV-VOTSOKGWSA-N -1 0 338.319 3.593 20 0 EHADRM C[C@@H](OC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1ccc(F)c(C(F)(F)F)c1 ZINC001573634209 959580382 /nfs/dbraw/zinc/58/03/82/959580382.db2.gz GPRDIHMZKBVYEJ-QNSHHTMESA-N -1 0 334.265 3.560 20 0 EHADRM CC(C)OCCCC(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000192866121 959593508 /nfs/dbraw/zinc/59/35/08/959593508.db2.gz AFTXTFOEZLDSCV-QGZVFWFLSA-N -1 0 349.471 3.821 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCC(=Cc2ccccc2F)CC1 ZINC001588631281 959615527 /nfs/dbraw/zinc/61/55/27/959615527.db2.gz JFLKQNDSJAVDDM-MRXNPFEDSA-N -1 0 333.403 3.578 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC001588634624 959641716 /nfs/dbraw/zinc/64/17/16/959641716.db2.gz DACYIBQJSDLJRI-JKSUJKDBSA-N -1 0 333.403 3.625 20 0 EHADRM CC(C)(C)C1=CCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)CC1 ZINC001588639405 959676557 /nfs/dbraw/zinc/67/65/57/959676557.db2.gz OFKOVUOALMQVLG-IRXDYDNUSA-N -1 0 342.439 3.687 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001573665215 959688703 /nfs/dbraw/zinc/68/87/03/959688703.db2.gz UBVZEDUKLGLPFA-UVBSCNOISA-N -1 0 335.831 3.593 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1cccc(OCc2ccccc2)c1 ZINC001573667996 959713865 /nfs/dbraw/zinc/71/38/65/959713865.db2.gz PWZWNUVECSHZAJ-HXUWFJFHSA-N -1 0 339.391 3.705 20 0 EHADRM CC1(C)CN(C(=O)c2coc(/C=C\C(=O)[O-])c2)[C@H]1c1ccccc1 ZINC001573675468 959721909 /nfs/dbraw/zinc/72/19/09/959721909.db2.gz KZEGKFRSRBKLNU-JJEJIETFSA-N -1 0 325.364 3.601 20 0 EHADRM C[C@@H]1CC[C@](C)(/C=C\C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C1(C)C ZINC001573712684 959857412 /nfs/dbraw/zinc/85/74/12/959857412.db2.gz UUMBMVFCOLZBBF-VJPJVIIESA-N -1 0 347.459 3.660 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)N2CCc3c(cccc3C(=O)[O-])C2)s1 ZINC000392302592 972466802 /nfs/dbraw/zinc/46/68/02/972466802.db2.gz ASOSXZKRVZOLRJ-LBPRGKRZSA-N -1 0 344.436 3.584 20 0 EHADRM CCOc1cccc(NC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)c1 ZINC000392461937 972488065 /nfs/dbraw/zinc/48/80/65/972488065.db2.gz MOGCYSPUZBDXAD-UHFFFAOYSA-N -1 0 336.294 3.706 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)N2CCc3sccc3[C@H]2C)c1 ZINC000392490092 972491524 /nfs/dbraw/zinc/49/15/24/972491524.db2.gz SXHLUDILGUXPJE-SNVBAGLBSA-N -1 0 346.408 3.606 20 0 EHADRM Cc1ccc(NC(=O)N2CCc3c(cccc3C(=O)[O-])C2)c(Cl)c1 ZINC000392527360 972493894 /nfs/dbraw/zinc/49/38/94/972493894.db2.gz MLBGPFBCHWEHME-UHFFFAOYSA-N -1 0 344.798 3.937 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)CCCCc1cccc(O)c1 ZINC001123380089 960462053 /nfs/dbraw/zinc/46/20/53/960462053.db2.gz KQAQKNADSVOSDI-UHFFFAOYSA-N -1 0 327.380 3.750 20 0 EHADRM C[C@H]1CCc2c(sc(NC(=O)CCc3ccoc3)c2C(=O)[O-])C1 ZINC001573738872 960473922 /nfs/dbraw/zinc/47/39/22/960473922.db2.gz LGTJNKUEODRXRP-JTQLQIEISA-N -1 0 333.409 3.735 20 0 EHADRM Cc1csc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1Cl ZINC000235956616 960534946 /nfs/dbraw/zinc/53/49/46/960534946.db2.gz BAZXTXVOUDGABD-SNVBAGLBSA-N -1 0 329.849 3.673 20 0 EHADRM CSc1cccc(F)c1C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001574257660 960547454 /nfs/dbraw/zinc/54/74/54/960547454.db2.gz NHXVCFJWSYJFDW-TZMCWYRMSA-N -1 0 345.395 3.591 20 0 EHADRM O=C([O-])c1ccc(CN2CCc3ccc(Br)cc3C2)cc1 ZINC001204155753 960603100 /nfs/dbraw/zinc/60/31/00/960603100.db2.gz RCLNIGTWUUXXJP-UHFFFAOYSA-N -1 0 346.224 3.706 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)N[C@@H]1CCCC12CCCCC2 ZINC001605806479 972518551 /nfs/dbraw/zinc/51/85/51/972518551.db2.gz HFQJXYXIYVGVNZ-MRXNPFEDSA-N -1 0 330.428 3.687 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)c1ccc(C(F)(F)F)cc1)C2 ZINC000392808252 972526463 /nfs/dbraw/zinc/52/64/63/972526463.db2.gz DEECGSOHRFFXMD-UHFFFAOYSA-N -1 0 349.308 3.602 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)NCc1cc(Cl)cc(Cl)c1F ZINC001573778196 960711251 /nfs/dbraw/zinc/71/12/51/960711251.db2.gz UQHCRQRCMSXBQX-UHFFFAOYSA-N -1 0 336.190 3.640 20 0 EHADRM CCC(CC)(CNC(=O)N[C@@H]1CC(C)(C)c2ccccc21)C(=O)[O-] ZINC001573783800 960720396 /nfs/dbraw/zinc/72/03/96/960720396.db2.gz CMUKHHWYSHGFQF-OAHLLOKOSA-N -1 0 332.444 3.599 20 0 EHADRM Cc1c(Cl)nccc1NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001574304308 960730430 /nfs/dbraw/zinc/73/04/30/960730430.db2.gz NOFIKICFXIIFQO-UHFFFAOYSA-N -1 0 333.775 3.705 20 0 EHADRM Cc1noc2nc(C(C)C)cc(C(=O)Nc3cccc(C(=O)[O-])c3)c12 ZINC000236692145 960733284 /nfs/dbraw/zinc/73/32/84/960733284.db2.gz ZMTAUHRKKLCOON-UHFFFAOYSA-N -1 0 339.351 3.605 20 0 EHADRM CC(C)[C@@H](NC(=O)c1ccc(CSc2ccccc2)cc1)C(=O)[O-] ZINC000236710862 960739417 /nfs/dbraw/zinc/73/94/17/960739417.db2.gz LZYLLQGIHLZJKA-QGZVFWFLSA-N -1 0 343.448 3.818 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000236744951 960749358 /nfs/dbraw/zinc/74/93/58/960749358.db2.gz QPLIHDDCYJLMAJ-UHFFFAOYSA-N -1 0 349.374 3.871 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N(CCC(=O)[O-])CC(C)C ZINC000236764553 960753273 /nfs/dbraw/zinc/75/32/73/960753273.db2.gz XKKPDLRLNGSKQZ-UHFFFAOYSA-N -1 0 337.416 3.922 20 0 EHADRM CCC[C@@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000236838817 960770093 /nfs/dbraw/zinc/77/00/93/960770093.db2.gz XHKZMYAZALMWMH-GOSISDBHSA-N -1 0 325.408 3.927 20 0 EHADRM CCC(CC)(CNC(=O)CSc1ccc2ccccc2c1)C(=O)[O-] ZINC000236842990 960772340 /nfs/dbraw/zinc/77/23/40/960772340.db2.gz PKLQHHICRLUQGW-UHFFFAOYSA-N -1 0 345.464 3.939 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@H]2C[C@H](OC(C)(C)C)C23CCC3)c1 ZINC001574315305 960780720 /nfs/dbraw/zinc/78/07/20/960780720.db2.gz LDQPDMWIERXRTO-HOTGVXAUSA-N -1 0 345.439 3.549 20 0 EHADRM CCC(CC)(CNC(=O)[C@H](C)Sc1ccccc1Cl)C(=O)[O-] ZINC000236866654 960781686 /nfs/dbraw/zinc/78/16/86/960781686.db2.gz SLJWPCRUVCWQHZ-NSHDSACASA-N -1 0 343.876 3.828 20 0 EHADRM CCCC[C@H](NC(=O)c1ccc(SC(F)(F)F)cc1)C(=O)[O-] ZINC000236875661 960787805 /nfs/dbraw/zinc/78/78/05/960787805.db2.gz QCDJROZXVAESNN-NSHDSACASA-N -1 0 335.347 3.672 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)CC(c1ccccc1)c1ccccc1 ZINC000236902482 960793790 /nfs/dbraw/zinc/79/37/90/960793790.db2.gz QDNSNBPBRPHSEW-UHFFFAOYSA-N -1 0 325.408 3.532 20 0 EHADRM Cc1cc(C(F)(F)F)ccc1CNC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001574319035 960813313 /nfs/dbraw/zinc/81/33/13/960813313.db2.gz GMJYHQMKODUKTN-CQSZACIVSA-N -1 0 343.345 3.521 20 0 EHADRM CCn1c(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc2ccccc21 ZINC000236988739 960824782 /nfs/dbraw/zinc/82/47/82/960824782.db2.gz PIUUSCPFICQSPP-ZVZYQTTQSA-N -1 0 340.423 3.519 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)/C=C/c1ccc2ccc(Cl)cc2n1 ZINC000237054025 960857014 /nfs/dbraw/zinc/85/70/14/960857014.db2.gz ASULDKCLFKHGIZ-IDVQTMNDSA-N -1 0 346.814 3.613 20 0 EHADRM Cc1cc(CCNC(=O)Nc2cccc(C(=O)[O-])c2)ccc1Cl ZINC001574326484 960858848 /nfs/dbraw/zinc/85/88/48/960858848.db2.gz SGTMLRFOYAVCDL-UHFFFAOYSA-N -1 0 332.787 3.711 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)CCCSc1ccc(Cl)cc1 ZINC000237092056 960868380 /nfs/dbraw/zinc/86/83/80/960868380.db2.gz CWFUPLMVOKEDDT-MRXNPFEDSA-N -1 0 343.876 3.972 20 0 EHADRM Cc1cc(Cl)ccc1C1=CCN(C(=O)[C@@H](C(=O)[O-])C(C)C)CC1 ZINC001574330711 960884656 /nfs/dbraw/zinc/88/46/56/960884656.db2.gz KADVDDUSLYDJBD-INIZCTEOSA-N -1 0 335.831 3.621 20 0 EHADRM CN(CCc1cccc2ccccc21)C(=O)c1cccc(C(=O)[O-])c1 ZINC000237217673 960889702 /nfs/dbraw/zinc/88/97/02/960889702.db2.gz DVGDJSOGXYIKGV-UHFFFAOYSA-N -1 0 333.387 3.853 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2c[nH]cc2-c2ccc(F)cc2)CCCC1 ZINC001263633288 960893697 /nfs/dbraw/zinc/89/36/97/960893697.db2.gz NAIITSPAOHPKQV-UHFFFAOYSA-N -1 0 344.386 3.586 20 0 EHADRM CC[C@H](OC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1cccc(Br)c1 ZINC001573813673 960916787 /nfs/dbraw/zinc/91/67/87/960916787.db2.gz ORHNIOHEDMRCCG-AGIUHOORSA-N -1 0 341.201 3.554 20 0 EHADRM COc1csc(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])c1 ZINC000237375391 960922296 /nfs/dbraw/zinc/92/22/96/960922296.db2.gz JHYHYVZYEZOMKY-UHFFFAOYSA-N -1 0 327.361 3.860 20 0 EHADRM Cc1ccc(NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])c(F)c1 ZINC000237383544 960922651 /nfs/dbraw/zinc/92/26/51/960922651.db2.gz UHBAMQQCIBERGS-LLVKDONJSA-N -1 0 333.384 3.952 20 0 EHADRM CSc1ccc(C)c(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)c1 ZINC000237384177 960922797 /nfs/dbraw/zinc/92/27/97/960922797.db2.gz IXTNIMSXWADTHQ-UHFFFAOYSA-N -1 0 341.392 3.544 20 0 EHADRM Cc1cccc(Nc2ccccc2C(=O)N(C)C[C@H](C)C(=O)[O-])c1C ZINC000237405739 960926671 /nfs/dbraw/zinc/92/66/71/960926671.db2.gz BAUOICDNDXJPME-AWEZNQCLSA-N -1 0 340.423 3.840 20 0 EHADRM COc1ccc(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)cc1F ZINC000237460264 960939291 /nfs/dbraw/zinc/93/92/91/960939291.db2.gz KIYXDZCQTLQMIW-UHFFFAOYSA-N -1 0 345.351 4.000 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)CCc2cccc(F)c2F)cc1 ZINC001319406242 960944390 /nfs/dbraw/zinc/94/43/90/960944390.db2.gz CWQRQPAHLNIVCU-MRXNPFEDSA-N -1 0 347.361 3.538 20 0 EHADRM CC(C)(C)n1c2ccccc2nc1NC(=O)c1cccc(C(=O)[O-])c1 ZINC001319560433 960951333 /nfs/dbraw/zinc/95/13/33/960951333.db2.gz XXYQLUSBHXUQQR-UHFFFAOYSA-N -1 0 337.379 3.742 20 0 EHADRM Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1C(=O)[O-] ZINC000237521014 960952528 /nfs/dbraw/zinc/95/25/28/960952528.db2.gz FYOXHGKURVWJDR-LLVKDONJSA-N -1 0 333.771 3.753 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])s1)c1ccc(OC(F)F)cc1 ZINC000237524372 960953166 /nfs/dbraw/zinc/95/31/66/960953166.db2.gz QJUJAKFIVXRCDI-MRVPVSSYSA-N -1 0 341.335 3.539 20 0 EHADRM C[C@H](NC(=O)c1cccc(C(=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000237614930 960974355 /nfs/dbraw/zinc/97/43/55/960974355.db2.gz MWLJGVDLPVWLFB-JTQLQIEISA-N -1 0 337.297 3.895 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N[C@H](C)CC(=O)[O-])c(F)c2)cc1C ZINC000237642440 960981403 /nfs/dbraw/zinc/98/14/03/960981403.db2.gz MJZNKSCECYNBCD-CYBMUJFWSA-N -1 0 329.371 3.703 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)c3ccc(C(=O)[O-])o3)cc2)oc1C ZINC001320676896 960984844 /nfs/dbraw/zinc/98/48/44/960984844.db2.gz ZGPGTXTYQGWALA-UHFFFAOYSA-N -1 0 326.308 3.502 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)/C=C/c1ccnc2ccccc12 ZINC001321134329 960994551 /nfs/dbraw/zinc/99/45/51/960994551.db2.gz AHVRXAMRDWEQCE-VQHVLOKHSA-N -1 0 332.359 3.893 20 0 EHADRM CCCCC[C@@H](NC(=O)c1ccc2cc(OC)ccc2c1)C(=O)[O-] ZINC001323492471 961019340 /nfs/dbraw/zinc/01/93/40/961019340.db2.gz SLCJKVBMABHKFV-QGZVFWFLSA-N -1 0 329.396 3.612 20 0 EHADRM Cc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)c(C)n1C1CC1 ZINC000237768163 961020761 /nfs/dbraw/zinc/02/07/61/961020761.db2.gz BSFGKARPNHCUBV-QGZVFWFLSA-N -1 0 344.386 3.525 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000237807985 961028338 /nfs/dbraw/zinc/02/83/38/961028338.db2.gz SYHXAZWEMKFHBK-NWDGAFQWSA-N -1 0 329.318 3.843 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)CC(C2CC2)C2CC2)cc1 ZINC001324940554 961047209 /nfs/dbraw/zinc/04/72/09/961047209.db2.gz JZYWDLYZCQVEQE-UHFFFAOYSA-N -1 0 331.412 3.695 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC(c2ccccc2)c2ccccc2)s1 ZINC000238003293 961071437 /nfs/dbraw/zinc/07/14/37/961071437.db2.gz ZOPJCHWQIPDWMN-UHFFFAOYSA-N -1 0 337.400 3.966 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)o1 ZINC000238036274 961083686 /nfs/dbraw/zinc/08/36/86/961083686.db2.gz YSMHEIOQJUWLIP-MRXNPFEDSA-N -1 0 335.359 3.692 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)CCSc2ccc(F)cc2)c1 ZINC000238100062 961096740 /nfs/dbraw/zinc/09/67/40/961096740.db2.gz FJGGMDCPGCEDGR-UHFFFAOYSA-N -1 0 337.347 3.784 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H]1NC(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000238119399 961107755 /nfs/dbraw/zinc/10/77/55/961107755.db2.gz NYXPTFPSAZVYOJ-RDJZCZTQSA-N -1 0 345.345 3.615 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1cc(Cl)ccc1OC(F)F ZINC000238127286 961115039 /nfs/dbraw/zinc/11/50/39/961115039.db2.gz VZXFAHWMQMYFIW-UHFFFAOYSA-N -1 0 349.761 3.706 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1ccccc1Oc1cccnc1 ZINC000238128850 961117364 /nfs/dbraw/zinc/11/73/64/961117364.db2.gz YEARIHVIQSBSIZ-UHFFFAOYSA-N -1 0 342.395 3.639 20 0 EHADRM O=C([O-])c1cccc(NC(=O)CCCOc2ccccc2Cl)c1 ZINC000238139948 961124779 /nfs/dbraw/zinc/12/47/79/961124779.db2.gz LTNDBZUOBBEXJU-UHFFFAOYSA-N -1 0 333.771 3.836 20 0 EHADRM CCCN(C)c1ccc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001573849637 961133696 /nfs/dbraw/zinc/13/36/96/961133696.db2.gz ZJYNUNWVGGESQI-INIZCTEOSA-N -1 0 334.460 3.542 20 0 EHADRM CC(C)(C)c1ccc(C(C)(C)CNC(=O)C2(C(=O)[O-])CCC2)cc1 ZINC001588739424 961150270 /nfs/dbraw/zinc/15/02/70/961150270.db2.gz HJPWQENHVUVGCG-UHFFFAOYSA-N -1 0 331.456 3.633 20 0 EHADRM CC(C)(C)c1ccc([C@H]2CCCN2C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cc1 ZINC001588739746 961159536 /nfs/dbraw/zinc/15/95/36/961159536.db2.gz RHNYJZAIFOZXKM-DJIMGWMZSA-N -1 0 344.455 3.694 20 0 EHADRM CCCN(Cc1ccc(F)cc1)C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001573857799 961161273 /nfs/dbraw/zinc/16/12/73/961161273.db2.gz WVEGKAJPMXPSNC-FPLPWBNLSA-N -1 0 331.343 3.569 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)COc3ccccc3F)ccc2s1 ZINC000238208040 961161255 /nfs/dbraw/zinc/16/12/55/961161255.db2.gz SWIVCUPXADWMSU-UHFFFAOYSA-N -1 0 345.351 3.756 20 0 EHADRM CC(C)(C)c1ccc(CNC(=O)Nc2ccccc2CC(=O)[O-])o1 ZINC001588741113 961166438 /nfs/dbraw/zinc/16/64/38/961166438.db2.gz NSUBRBFUBUJENH-UHFFFAOYSA-N -1 0 330.384 3.526 20 0 EHADRM CCCOC(=O)c1ccc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001573860286 961168570 /nfs/dbraw/zinc/16/85/70/961168570.db2.gz MVZKTRCMIKFKMY-UHFFFAOYSA-N -1 0 341.363 3.512 20 0 EHADRM CCC1(C(=O)NCc2cc(C(=O)[O-])c(C)o2)CCC(F)(F)CC1 ZINC001327820287 961182383 /nfs/dbraw/zinc/18/23/83/961182383.db2.gz XKERMNZCTXMBPK-UHFFFAOYSA-N -1 0 329.343 3.508 20 0 EHADRM CC(C)(C)c1nc(CCNC(=O)Nc2cccc(C(=O)[O-])c2)cs1 ZINC001588748072 961190110 /nfs/dbraw/zinc/19/01/10/961190110.db2.gz MSZKEWCTKNGYIH-UHFFFAOYSA-N -1 0 347.440 3.503 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1nc(C(C)(C)C)cs1 ZINC000245771497 961191314 /nfs/dbraw/zinc/19/13/14/961191314.db2.gz XJQNWLWTWZSBQZ-QJPTWQEYSA-N -1 0 338.473 3.509 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)C(C)(C)CC(=O)[O-] ZINC001328914186 961234423 /nfs/dbraw/zinc/23/44/23/961234423.db2.gz RMABOHQEQYEJPR-SNVBAGLBSA-N -1 0 329.849 3.532 20 0 EHADRM CN(C(=O)CCc1cccc(OC2CCCC2)c1)C(C)(C)CC(=O)[O-] ZINC001328914268 961234624 /nfs/dbraw/zinc/23/46/24/961234624.db2.gz SSLNDVSMQMGTMF-UHFFFAOYSA-N -1 0 347.455 3.652 20 0 EHADRM Cc1ccoc1CC(=O)Nc1sc2c(c1C(=O)[O-])C[C@H](C)O[C@@H]2C ZINC001574410894 961282044 /nfs/dbraw/zinc/28/20/44/961282044.db2.gz CZTHCESUFDEAMH-VHSXEESVSA-N -1 0 349.408 3.551 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001573881803 961284036 /nfs/dbraw/zinc/28/40/36/961284036.db2.gz ZGBDRSMQRKWZCT-ZDUSSCGKSA-N -1 0 329.849 3.641 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000261607205 961382411 /nfs/dbraw/zinc/38/24/11/961382411.db2.gz CYSHJOZVTORLNA-FQEVSTJZSA-N -1 0 339.391 3.806 20 0 EHADRM Cc1c(C(=O)NC2(CC(=O)[O-])CCCC2)sc2cccc(F)c12 ZINC000261661164 961386007 /nfs/dbraw/zinc/38/60/07/961386007.db2.gz GHSLJDHVZCNYIB-UHFFFAOYSA-N -1 0 335.400 3.866 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000261764226 961390670 /nfs/dbraw/zinc/39/06/70/961390670.db2.gz OFEONCMNMXUZST-JGVFFNPUSA-N -1 0 335.709 3.798 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2cccc(-c3nccs3)c2)C1 ZINC000261897073 961396679 /nfs/dbraw/zinc/39/66/79/961396679.db2.gz OJTNTVDOZXPPQG-AAEUAGOBSA-N -1 0 330.409 3.640 20 0 EHADRM Cc1oc(CN(C)Cc2c[nH]nc2-c2ccc(C)cc2)cc1C(=O)[O-] ZINC001331945861 961424198 /nfs/dbraw/zinc/42/41/98/961424198.db2.gz DIQUKYQQPJTSHN-UHFFFAOYSA-N -1 0 339.395 3.617 20 0 EHADRM Cc1oc(-c2ccccc2)nc1C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001574443906 961436428 /nfs/dbraw/zinc/43/64/28/961436428.db2.gz KKACDZYLHUKOMF-UHFFFAOYSA-N -1 0 337.331 3.705 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc2c(c1)CCCCC2=O ZINC001332132546 961471727 /nfs/dbraw/zinc/47/17/27/961471727.db2.gz SNOMCCQAXPGMNK-UHFFFAOYSA-N -1 0 337.375 3.855 20 0 EHADRM C[C@H]1CCN(C(=O)CCc2ccccc2C(=O)[O-])[C@@H](c2ccco2)C1 ZINC000262119927 961475753 /nfs/dbraw/zinc/47/57/53/961475753.db2.gz JOTWTAKJXSYIST-WMLDXEAASA-N -1 0 341.407 3.910 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N2CCC[C@@H]2CCc2ccccc2)c1 ZINC000262147478 961499483 /nfs/dbraw/zinc/49/94/83/961499483.db2.gz JFGMIHZIMRNYRP-LJQANCHMSA-N -1 0 337.419 3.551 20 0 EHADRM CCC[C@H](CCc1ccccc1)NC(=O)Cc1ccccc1C(=O)[O-] ZINC000262166504 961517267 /nfs/dbraw/zinc/51/72/67/961517267.db2.gz KXHPVYPQHTUAQT-GOSISDBHSA-N -1 0 339.435 3.845 20 0 EHADRM CCOc1ccc(C[C@H](C)C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC001573919529 961518333 /nfs/dbraw/zinc/51/83/33/961518333.db2.gz CYUOXRBVPMUYMK-DOTOQJQBSA-N -1 0 347.455 3.510 20 0 EHADRM CCOc1cccc2cc([C@@H](C)NC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)oc21 ZINC001573926313 961556462 /nfs/dbraw/zinc/55/64/62/961556462.db2.gz WHFMFJPMXMJBIF-KWCYVHTRSA-N -1 0 345.395 3.510 20 0 EHADRM CC(C)[C@@H](CNC(=O)C1(c2ccc(Cl)cc2)CCCC1)C(=O)[O-] ZINC001588816284 961580245 /nfs/dbraw/zinc/58/02/45/961580245.db2.gz BNLRVUODXQPKNN-OAHLLOKOSA-N -1 0 337.847 3.625 20 0 EHADRM CC[C@@H](NC(=O)c1csc(-c2cccc3ccccc32)n1)C(=O)[O-] ZINC001573936284 961594822 /nfs/dbraw/zinc/59/48/22/961594822.db2.gz OONCFUGKKVVPKX-CQSZACIVSA-N -1 0 340.404 3.556 20 0 EHADRM CC[C@H]1c2ccsc2CCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000262276605 961613518 /nfs/dbraw/zinc/61/35/18/961613518.db2.gz YYQFBMKBQALPHG-INIZCTEOSA-N -1 0 343.448 3.915 20 0 EHADRM Cc1ccc(CCCCC(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000262325094 961645455 /nfs/dbraw/zinc/64/54/55/961645455.db2.gz WSTIYVHVVXOORX-UHFFFAOYSA-N -1 0 325.408 3.974 20 0 EHADRM COc1ccc2cc(C(=O)N(C)[C@@H](C(=O)[O-])c3ccccc3)ccc2c1 ZINC001334156986 961761317 /nfs/dbraw/zinc/76/13/17/961761317.db2.gz PWUVEXSZXNIYJC-LJQANCHMSA-N -1 0 349.386 3.746 20 0 EHADRM Cc1cc(OCc2ccccc2)ccc1NC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC000262657203 961796608 /nfs/dbraw/zinc/79/66/08/961796608.db2.gz LYUDZHJGHUGGII-DLBZAZTESA-N -1 0 339.391 3.623 20 0 EHADRM CCc1ccc(CN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C2CC2)cc1 ZINC000262689854 961809638 /nfs/dbraw/zinc/80/96/38/961809638.db2.gz DPOJVXGPXSSMRB-QAQDUYKDSA-N -1 0 329.440 3.631 20 0 EHADRM CN(Cc1ccccc1C(F)(F)F)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262693270 961810341 /nfs/dbraw/zinc/81/03/41/961810341.db2.gz FIOIYFKGKXPEIY-HAQNSBGRSA-N -1 0 343.345 3.555 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1csc([C@@H]2CCCO2)n1 ZINC000262706304 961817157 /nfs/dbraw/zinc/81/71/57/961817157.db2.gz AOYYRPNXNGBVIO-AWEZNQCLSA-N -1 0 346.408 3.562 20 0 EHADRM C[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)[C@H]1c1cccc(F)c1 ZINC000262716727 961822951 /nfs/dbraw/zinc/82/29/51/961822951.db2.gz NWGCAJMWRFDIKV-VMUDFCTBSA-N -1 0 333.403 3.626 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2CCC[C@H]2CCc2ccccc2)CC1 ZINC000262741336 961841396 /nfs/dbraw/zinc/84/13/96/961841396.db2.gz WKZMASQJULAFAW-BZSNNMDCSA-N -1 0 329.440 3.501 20 0 EHADRM Cc1[nH]c2c(cc(C)cc2CNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c1C ZINC000262757138 961853214 /nfs/dbraw/zinc/85/32/14/961853214.db2.gz ZEIBKILPMHRLBT-SHTZXODSSA-N -1 0 342.439 3.600 20 0 EHADRM O=C([O-])[C@H](NC(=O)CC/C=C/c1ccccc1)c1ccc(F)cc1 ZINC001574524420 961869922 /nfs/dbraw/zinc/86/99/22/961869922.db2.gz NHWLBMKQNDXALL-SBLNNXNXSA-N -1 0 327.355 3.561 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)CCc2ccc3[nH]ccc3c2)c2ccccc21 ZINC001574524969 961872970 /nfs/dbraw/zinc/87/29/70/961872970.db2.gz AIGBKTGUOSOTBU-PKOBYXMFSA-N -1 0 348.402 3.530 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)Cc1ccc(Cl)cc1Cl ZINC001574534245 961913133 /nfs/dbraw/zinc/91/31/33/961913133.db2.gz BWJAKQDXPYPBIF-UHFFFAOYSA-N -1 0 338.190 3.551 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CC[C@H](C)C2(CCCCC2)C1)C(=O)[O-] ZINC001588850525 961922792 /nfs/dbraw/zinc/92/27/92/961922792.db2.gz PFEFHPSZYUIIKT-JKSUJKDBSA-N -1 0 338.492 3.735 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000262881258 961955414 /nfs/dbraw/zinc/95/54/14/961955414.db2.gz XVEIIYWKLQIOII-GTNSWQLSSA-N -1 0 338.473 3.512 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)C2CCc3ccccc3CC2)c2ccccc21 ZINC001574556772 961990168 /nfs/dbraw/zinc/99/01/68/961990168.db2.gz DQOYINDSTYPCQC-VQTJNVASSA-N -1 0 349.430 3.611 20 0 EHADRM Cc1oc(CNC(=O)C2(c3ccc(F)cc3)CCCC2)cc1C(=O)[O-] ZINC000262915269 961997005 /nfs/dbraw/zinc/99/70/05/961997005.db2.gz DGMJULAECNAYPP-UHFFFAOYSA-N -1 0 345.370 3.554 20 0 EHADRM O=C([O-])CC1CC(Nc2ccc(F)cc2OCCC(F)(F)F)C1 ZINC001339182161 962018714 /nfs/dbraw/zinc/01/87/14/962018714.db2.gz ALDQJBCTZSXODC-UHFFFAOYSA-N -1 0 335.297 3.822 20 0 EHADRM Cc1nc(CN[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)c(C)s1 ZINC001339320057 962024637 /nfs/dbraw/zinc/02/46/37/962024637.db2.gz QYMWPYUMWXSPTA-ZDUSSCGKSA-N -1 0 344.358 3.694 20 0 EHADRM CC(C)c1cc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c2ccccc2n1 ZINC000262952012 962035648 /nfs/dbraw/zinc/03/56/48/962035648.db2.gz LIFPHMUXUOODJI-UONOGXRCSA-N -1 0 340.423 3.541 20 0 EHADRM Cc1oc(CNC(=O)C2(c3ccccc3F)CCCC2)cc1C(=O)[O-] ZINC000262952284 962037316 /nfs/dbraw/zinc/03/73/16/962037316.db2.gz IWOVNUCYUAYKHA-UHFFFAOYSA-N -1 0 345.370 3.554 20 0 EHADRM CC(C)CO[C@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001588875810 962121611 /nfs/dbraw/zinc/12/16/11/962121611.db2.gz YBAMUIKAILRKGC-WDEREUQCSA-N -1 0 339.457 3.571 20 0 EHADRM CC[C@@H](CC(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000263036538 962157385 /nfs/dbraw/zinc/15/73/85/962157385.db2.gz ZHIOICGIDDVTLE-KSSFIOAISA-N -1 0 343.398 3.694 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(C(=O)CC2CCCC2)CC1 ZINC000263074548 962217466 /nfs/dbraw/zinc/21/74/66/962217466.db2.gz RPTACIFZGYKLJF-UHFFFAOYSA-N -1 0 329.440 3.746 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@H](C)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000263080697 962225409 /nfs/dbraw/zinc/22/54/09/962225409.db2.gz PTLJUCDIZKIRDR-CQSZACIVSA-N -1 0 341.407 3.764 20 0 EHADRM COc1cccc([C@H](C)CC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)c1 ZINC000263080805 962225520 /nfs/dbraw/zinc/22/55/20/962225520.db2.gz BHLBBKUFWOPIGY-GFCCVEGCSA-N -1 0 345.370 3.594 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1ccc(Oc2ccccc2)nc1)C1CCCC1 ZINC001574616921 962226380 /nfs/dbraw/zinc/22/63/80/962226380.db2.gz LKSHURIOSATAPQ-QGZVFWFLSA-N -1 0 340.379 3.703 20 0 EHADRM CC(C)c1[nH]ccc1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC001345107458 962228290 /nfs/dbraw/zinc/22/82/90/962228290.db2.gz KDGPNTCHKXXFGS-UHFFFAOYSA-N -1 0 330.384 3.634 20 0 EHADRM O=C([O-])[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1)C1CCCC1 ZINC001574617589 962234995 /nfs/dbraw/zinc/23/49/95/962234995.db2.gz RFJZNWKYOGJYQQ-ZDUSSCGKSA-N -1 0 330.211 3.501 20 0 EHADRM O=C([O-])[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1)C1CCCC1 ZINC001574617574 962235337 /nfs/dbraw/zinc/23/53/37/962235337.db2.gz RFJZNWKYOGJYQQ-CYBMUJFWSA-N -1 0 330.211 3.501 20 0 EHADRM O=C([O-])[C@@H](C(=O)NCc1c(Cl)cccc1Cl)C1CCCC1 ZINC001574617777 962236829 /nfs/dbraw/zinc/23/68/29/962236829.db2.gz VTVIKYWUPDIZIK-CYBMUJFWSA-N -1 0 330.211 3.501 20 0 EHADRM CC(C)Cc1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC001588906200 962276450 /nfs/dbraw/zinc/27/64/50/962276450.db2.gz PJRDYHPQIUMYGK-HXUWFJFHSA-N -1 0 325.408 3.615 20 0 EHADRM CC(C)Cc1ccc(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)s1 ZINC001588906196 962276482 /nfs/dbraw/zinc/27/64/82/962276482.db2.gz PHHBQAXFDUEULE-SFHVURJKSA-N -1 0 331.437 3.676 20 0 EHADRM C[C@@H](NC(=O)[C@@H]1CCCC(C)(C)C1)c1ccc(OCC(=O)[O-])cc1 ZINC000263125484 962278328 /nfs/dbraw/zinc/27/83/28/962278328.db2.gz SMBSBPRMNLPHPP-UKRRQHHQSA-N -1 0 333.428 3.544 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3CCC[C@](C)(C(=O)[O-])C3)s2)o1 ZINC000263139819 962293380 /nfs/dbraw/zinc/29/33/80/962293380.db2.gz ZQPCPWQNOUKMQD-KRWDZBQOSA-N -1 0 333.409 3.643 20 0 EHADRM CC(C)N(C)c1cccc(NC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)c1 ZINC001588915585 962337620 /nfs/dbraw/zinc/33/76/20/962337620.db2.gz QJAIXYNXWYDDOF-UHFFFAOYSA-N -1 0 332.444 3.607 20 0 EHADRM C[C@H](CC(F)(F)F)C(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC001346336765 962350198 /nfs/dbraw/zinc/35/01/98/962350198.db2.gz JTYITKSIDVKYER-YGRLFVJLSA-N -1 0 339.313 3.670 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000263203620 962359321 /nfs/dbraw/zinc/35/93/21/962359321.db2.gz VLBHFZOTEXYGES-UHFFFAOYSA-N -1 0 337.725 3.684 20 0 EHADRM C[C@H](NC(=O)N1CC[C@H](C(=O)[O-])C1)c1ccc(Cl)c2ccccc21 ZINC000263274865 962414738 /nfs/dbraw/zinc/41/47/38/962414738.db2.gz SBYSENAXSSTICH-RYUDHWBXSA-N -1 0 346.814 3.670 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)c1 ZINC000263292974 962432168 /nfs/dbraw/zinc/43/21/68/962432168.db2.gz MLJVKUHDRWFQMK-JMPLFQLZSA-N -1 0 345.345 3.895 20 0 EHADRM O=C([O-])[C@@H]1CCN(C[C@@H]2CCCC23CCOCC3)c2ccccc21 ZINC001574656522 962466005 /nfs/dbraw/zinc/46/60/05/962466005.db2.gz YOWRLCOJMYWGOB-DOTOQJQBSA-N -1 0 329.440 3.662 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)C[C@@H]2OCCc3ccccc32)c1 ZINC000263324358 962467786 /nfs/dbraw/zinc/46/77/86/962467786.db2.gz OGCKAJJNVSHFGO-ACJLOTCBSA-N -1 0 339.391 3.517 20 0 EHADRM CC(C)Oc1c(F)cc(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)cc1F ZINC001588935170 962488056 /nfs/dbraw/zinc/48/80/56/962488056.db2.gz MFUSTYOZBLABTF-QGZVFWFLSA-N -1 0 339.338 3.502 20 0 EHADRM CC(C)OCc1cc(NC(=O)Nc2ccccc2C(=O)[O-])ccc1O ZINC001588935497 962497012 /nfs/dbraw/zinc/49/70/12/962497012.db2.gz IQYHCWGYXGGICH-UHFFFAOYSA-N -1 0 344.367 3.659 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1 ZINC000263357474 962514207 /nfs/dbraw/zinc/51/42/07/962514207.db2.gz XLGUYPJJWRWWES-MZPVMMEZSA-N -1 0 327.355 3.756 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)Nc2ccc(CC(F)(F)F)cc2)co1 ZINC001574668311 962532022 /nfs/dbraw/zinc/53/20/22/962532022.db2.gz YMXAWFVJBVZPPL-WAYWQWQTSA-N -1 0 339.269 3.735 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)NC1(c2cccc(C)c2)CCCC1 ZINC000263388833 962549318 /nfs/dbraw/zinc/54/93/18/962549318.db2.gz DDFHKDWMSIEENI-UHFFFAOYSA-N -1 0 341.407 3.723 20 0 EHADRM CC(C)Sc1ccc(Cl)cc1NC(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001588943326 962550782 /nfs/dbraw/zinc/55/07/82/962550782.db2.gz WWVCMNOGNCAXBL-UHFFFAOYSA-N -1 0 339.804 3.514 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N[C@@H](c1ccccc1)C(C)(C)C ZINC000263397949 962559735 /nfs/dbraw/zinc/55/97/35/962559735.db2.gz FWEFZHYVTNTLMS-KRWDZBQOSA-N -1 0 329.396 3.732 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N(C)[C@@H](C)c1ccccc1Cl ZINC000263413187 962580128 /nfs/dbraw/zinc/58/01/28/962580128.db2.gz JIMJSUWHIWCQRS-NSHDSACASA-N -1 0 335.787 3.702 20 0 EHADRM O=C([O-])CCCNC(=O)N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000263435267 962613424 /nfs/dbraw/zinc/61/34/24/962613424.db2.gz ZSIINOXWYUWKBO-DZGCQCFKSA-N -1 0 338.835 3.530 20 0 EHADRM O=C([O-])CCCNC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000263445112 962629114 /nfs/dbraw/zinc/62/91/14/962629114.db2.gz FQHSRYVXPSFDPK-ZDUSSCGKSA-N -1 0 345.226 3.705 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)NC1(c2ccc(Cl)cc2)CCC1 ZINC000263446479 962631438 /nfs/dbraw/zinc/63/14/38/962631438.db2.gz RBQHVBFEKWRQRO-UHFFFAOYSA-N -1 0 347.798 3.678 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000263452256 962639875 /nfs/dbraw/zinc/63/98/75/962639875.db2.gz SSDUGQKGSVEJOQ-CYBMUJFWSA-N -1 0 341.407 3.585 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)CCCc1csc2ccccc12 ZINC000263455251 962643720 /nfs/dbraw/zinc/64/37/20/962643720.db2.gz OWXXTJXCWFXJFT-SFHVURJKSA-N -1 0 331.437 3.690 20 0 EHADRM Cc1ccc([C@H]2CCCCCN2C(=O)c2c(C)coc2CC(=O)[O-])o1 ZINC000263478644 962663900 /nfs/dbraw/zinc/66/39/00/962663900.db2.gz ZXGHZAQPAWAZSW-CQSZACIVSA-N -1 0 345.395 3.874 20 0 EHADRM Cc1cccc(Oc2ccccc2NC(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC000263499869 962682268 /nfs/dbraw/zinc/68/22/68/962682268.db2.gz SPBCDIFACPUXLU-AWEZNQCLSA-N -1 0 340.379 3.726 20 0 EHADRM CC(C)c1csc(NC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)n1 ZINC001588975433 962691036 /nfs/dbraw/zinc/69/10/36/962691036.db2.gz XTMQVJGEULVRKU-QWHCGFSZSA-N -1 0 345.424 3.701 20 0 EHADRM CCOc1ccccc1[C@H](CC)NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000263518054 962698384 /nfs/dbraw/zinc/69/83/84/962698384.db2.gz FSLLKPGWOMDRHC-DZKIICNBSA-N -1 0 333.428 3.544 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000263518364 962701470 /nfs/dbraw/zinc/70/14/70/962701470.db2.gz FVUNUWFZUFAUOD-MAUKXSAKSA-N -1 0 341.382 3.519 20 0 EHADRM C[C@@H](C(=O)N(C)C(C)(C)CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001354052365 962704938 /nfs/dbraw/zinc/70/49/38/962704938.db2.gz UJRFTZZLYZIRME-SNVBAGLBSA-N -1 0 331.334 3.521 20 0 EHADRM COc1cc([C@@H](C)NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)cc2ccccc21 ZINC001574177453 962800901 /nfs/dbraw/zinc/80/09/01/962800901.db2.gz DWDJKCJJSNXFQO-MPBGBICISA-N -1 0 341.407 3.527 20 0 EHADRM Cn1c(C(=O)[O-])ccc1[C@H]1CCCCN1C(=O)C[C@@H]1CC=CCC1 ZINC001517448283 962805434 /nfs/dbraw/zinc/80/54/34/962805434.db2.gz OHLJVXZPRCMRFM-GDBMZVCRSA-N -1 0 330.428 3.523 20 0 EHADRM C[C@H]1CN(C(=O)N(c2ccccc2)c2ccccc2)CC[C@H]1C(=O)[O-] ZINC000277148574 962847277 /nfs/dbraw/zinc/84/72/77/962847277.db2.gz QZNKKEBQCHFZAQ-MAUKXSAKSA-N -1 0 338.407 3.987 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2occc2-c2ccccc2)CCCC1 ZINC001526745656 962894190 /nfs/dbraw/zinc/89/41/90/962894190.db2.gz NLTHXYNFFFGCHR-UHFFFAOYSA-N -1 0 327.380 3.712 20 0 EHADRM O=C([O-])c1ccc(Br)cc1NC(=O)[C@@H]1CCC(F)(F)C1 ZINC000312131907 963538392 /nfs/dbraw/zinc/53/83/92/963538392.db2.gz SZTRIUJNUAABQB-SSDOTTSWSA-N -1 0 348.143 3.521 20 0 EHADRM COc1cc(N[C@@H](C)c2ncc(C(=O)[O-])s2)c(OC)cc1Cl ZINC000314936551 963832378 /nfs/dbraw/zinc/83/23/78/963832378.db2.gz JSXOXHUDYADZEW-ZETCQYMHSA-N -1 0 342.804 3.685 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N(Cc1cccs1)Cc1cccs1 ZINC000315079574 963854461 /nfs/dbraw/zinc/85/44/61/963854461.db2.gz TVDYWLOKWOVPIR-GFCCVEGCSA-N -1 0 337.466 3.839 20 0 EHADRM CN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000315327018 963881568 /nfs/dbraw/zinc/88/15/68/963881568.db2.gz MJXNPUDIZPZVSO-UHFFFAOYSA-N -1 0 342.779 3.903 20 0 EHADRM O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCCCS1 ZINC000316600231 964028729 /nfs/dbraw/zinc/02/87/29/964028729.db2.gz PIIITJQAISMHJJ-NSHDSACASA-N -1 0 333.331 3.628 20 0 EHADRM CC(C)C[C@@H](NC(=O)/C=C\c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000208461491 967685763 /nfs/dbraw/zinc/68/57/63/967685763.db2.gz CVSZKDLUVAIKAS-DHCBQETCSA-N -1 0 330.211 3.622 20 0 EHADRM C[C@H](C1CC1)n1nccc1NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000262998258 967835773 /nfs/dbraw/zinc/83/57/73/967835773.db2.gz FRWCGFVDKRSRGV-GFCCVEGCSA-N -1 0 342.399 3.515 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1ccnc(Oc2ccccc2)c1 ZINC000263085293 967844754 /nfs/dbraw/zinc/84/47/54/967844754.db2.gz RSQCWNVWMNUZPU-UHFFFAOYSA-N -1 0 343.383 3.639 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc(OC3CCCC3)cc2)C1 ZINC000263081229 967845065 /nfs/dbraw/zinc/84/50/65/967845065.db2.gz HSQKYXIEMDHUKO-KGLIPLIRSA-N -1 0 346.427 3.583 20 0 EHADRM CN(CCC(=O)[O-])C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000263147232 967853931 /nfs/dbraw/zinc/85/39/31/967853931.db2.gz ASMZBCOHWIOHJO-MRXNPFEDSA-N -1 0 338.835 3.687 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)Nc2cc(Cl)ccc2F)C1 ZINC000314617312 967969223 /nfs/dbraw/zinc/96/92/23/967969223.db2.gz FZYOMIOVVAGGJD-SNVBAGLBSA-N -1 0 328.771 3.588 20 0 EHADRM C[C@H](NC(=O)Cc1ccccc1C(=O)[O-])c1ccc2c(c1)CCCC2 ZINC000328203625 968051805 /nfs/dbraw/zinc/05/18/05/968051805.db2.gz QRXXDUJIQQUJGV-AWEZNQCLSA-N -1 0 337.419 3.684 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000424260529 968354369 /nfs/dbraw/zinc/35/43/69/968354369.db2.gz YUMCGIMPPMBMDE-IAGOWNOFSA-N -1 0 331.456 3.667 20 0 EHADRM CCSc1ccccc1C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000572915908 968451709 /nfs/dbraw/zinc/45/17/09/968451709.db2.gz JOXVZVPQGBWFBS-LJQANCHMSA-N -1 0 343.448 3.571 20 0 EHADRM Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)[C@H](C(=O)[O-])C(C)C ZINC000578656500 968467501 /nfs/dbraw/zinc/46/75/01/968467501.db2.gz YZYCQTWKRSYZNA-SMDDNHRTSA-N -1 0 346.452 3.653 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000610844152 968508382 /nfs/dbraw/zinc/50/83/82/968508382.db2.gz FFQSFAVTXQQMPU-CYBMUJFWSA-N -1 0 335.425 3.525 20 0 EHADRM CC(C)[C@H](CNC(=O)Cc1cc2c(ccc3ccccc23)o1)C(=O)[O-] ZINC000655564142 968680924 /nfs/dbraw/zinc/68/09/24/968680924.db2.gz KGJPWBODOMGLTA-KRWDZBQOSA-N -1 0 339.391 3.602 20 0 EHADRM C[C@H](NC(=O)N1C[C@@H](C)[C@@H]1c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655905264 968713150 /nfs/dbraw/zinc/71/31/50/968713150.db2.gz RSJMCCQFUKGDFY-PNDGYWDASA-N -1 0 344.455 3.524 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)NCC1(C(=O)[O-])CCC1 ZINC000663340817 968834324 /nfs/dbraw/zinc/83/43/24/968834324.db2.gz BYSXVFLRBZKBBI-UHFFFAOYSA-N -1 0 340.807 3.505 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)CCc2ccc(-c3ccccc3)o2)CC1 ZINC000679099685 968864681 /nfs/dbraw/zinc/86/46/81/968864681.db2.gz ZYDWUGQJKJUYFG-UHFFFAOYSA-N -1 0 341.407 3.593 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)N3CCC[C@H]3C(=O)[O-])cc2s1 ZINC000679556533 968866954 /nfs/dbraw/zinc/86/69/54/968866954.db2.gz UEBHFWIPRLPOBS-LBPRGKRZSA-N -1 0 333.413 3.501 20 0 EHADRM C/C(=C/C(=O)N1CCC[C@@]1(C)C(=O)[O-])c1ccccc1C(F)(F)F ZINC000823338259 969203497 /nfs/dbraw/zinc/20/34/97/969203497.db2.gz IPJCKJLMHQVPMF-SNGWPZLWSA-N -1 0 341.329 3.574 20 0 EHADRM C/C(=C/C(=O)N(CC(=O)[O-])C1CCC1)c1ccc(C(F)(F)F)cc1 ZINC000848455108 969262814 /nfs/dbraw/zinc/26/28/14/969262814.db2.gz HWBGYRPXLJJGAN-LUAWRHEFSA-N -1 0 341.329 3.574 20 0 EHADRM COc1ccccc1-c1ccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])s1 ZINC000864099816 969314081 /nfs/dbraw/zinc/31/40/81/969314081.db2.gz MMNOIYPOOJJQJF-CYBMUJFWSA-N -1 0 345.420 3.503 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1csc(C(F)(F)F)c1 ZINC000864132033 969320249 /nfs/dbraw/zinc/32/02/49/969320249.db2.gz IHYOYXIGKBYWMY-JTQLQIEISA-N -1 0 335.347 3.626 20 0 EHADRM CCCc1c(NC(=O)CCCCC(=O)[O-])cnn1-c1ccccc1C ZINC000910656902 969631608 /nfs/dbraw/zinc/63/16/08/969631608.db2.gz UIQDSRYFJYTGCM-UHFFFAOYSA-N -1 0 343.427 3.717 20 0 EHADRM CCN(C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)C1CC(C)(C)C1 ZINC001121924836 969684217 /nfs/dbraw/zinc/68/42/17/969684217.db2.gz CLZIGDITYUMIDP-CVEARBPZSA-N -1 0 330.428 3.520 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N3CCCC[C@H]3CC(=O)[O-])c(Cl)c2c1 ZINC001331883702 969718835 /nfs/dbraw/zinc/71/88/35/969718835.db2.gz VTLBZALHJRXJKK-NSHDSACASA-N -1 0 334.803 3.599 20 0 EHADRM CCC[C@@](C)(NC(=O)NC1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC001340493734 969743403 /nfs/dbraw/zinc/74/34/03/969743403.db2.gz ASJJFAUTCFEHAS-GSQSYGFSSA-N -1 0 332.444 3.645 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)NCc2ccc3sccc3c2)C1 ZINC001341256692 969749070 /nfs/dbraw/zinc/74/90/70/969749070.db2.gz KKZORAYCNQLTGR-ZDUSSCGKSA-N -1 0 346.452 3.688 20 0 EHADRM C[C@H](C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21)c1ccc(F)c(F)c1 ZINC001348551760 969766648 /nfs/dbraw/zinc/76/66/48/969766648.db2.gz VJLGDBFENDKANB-FZMZJTMJSA-N -1 0 345.345 3.673 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C1(c2ccccc2)CCCC1 ZINC000193924629 970310018 /nfs/dbraw/zinc/31/00/18/970310018.db2.gz FNMSSEDCKSYSNT-UHFFFAOYSA-N -1 0 337.419 3.855 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2c(F)cccc2Cl)CCCCC1 ZINC000318623204 970454423 /nfs/dbraw/zinc/45/44/23/970454423.db2.gz PJMAIJXBNRLEDF-UHFFFAOYSA-N -1 0 328.771 3.778 20 0 EHADRM O=C([O-])CCCCCCNC(=O)Nc1ccccc1C(F)(F)F ZINC000319974086 970596145 /nfs/dbraw/zinc/59/61/45/970596145.db2.gz CRESUPFHWWKHHJ-UHFFFAOYSA-N -1 0 332.322 3.862 20 0 EHADRM Cc1cc(C(=O)[O-])c(NC(=O)c2cccc(-n3cccc3)c2)s1 ZINC000320752500 970710979 /nfs/dbraw/zinc/71/09/79/970710979.db2.gz XIODWIWBINMJNO-UHFFFAOYSA-N -1 0 326.377 3.798 20 0 EHADRM COc1ccccc1SCCOc1ccc(/C=C\C(=O)[O-])cc1 ZINC000321269995 970757973 /nfs/dbraw/zinc/75/79/73/970757973.db2.gz GMGXDVDBKQGDBK-FLIBITNWSA-N -1 0 330.405 3.964 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001604962820 972547001 /nfs/dbraw/zinc/54/70/01/972547001.db2.gz CJTYGBGSOVNZIN-MWLCHTKSSA-N -1 0 342.848 3.636 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cc(C(F)F)ccc2Cl)cn1 ZINC001605844669 972581240 /nfs/dbraw/zinc/58/12/40/972581240.db2.gz CQBPQILOOMKHGS-UHFFFAOYSA-N -1 0 326.686 3.623 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)N[C@@H]2CCc3cccc4cccc2c43)c1 ZINC001605845837 972587713 /nfs/dbraw/zinc/58/77/13/972587713.db2.gz XRRTWRMYGNOCAK-MRXNPFEDSA-N -1 0 347.374 3.742 20 0 EHADRM C[C@@H](OC(=O)[C@@]1(C(=O)[O-])CC1(C)C)c1ccc(OC(F)(F)F)cc1 ZINC001604998498 972590004 /nfs/dbraw/zinc/59/00/04/972590004.db2.gz BAHLRBHQWSVANS-PSLIRLAXSA-N -1 0 346.301 3.690 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCC(C)(C)[C@H](c2ccccc2)C1 ZINC001603328882 972684530 /nfs/dbraw/zinc/68/45/30/972684530.db2.gz LVRLGINDIZSVNQ-MGPUTAFESA-N -1 0 329.440 3.530 20 0 EHADRM Cc1c(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cnc2ccccc12 ZINC001605076738 972706947 /nfs/dbraw/zinc/70/69/47/972706947.db2.gz CDXKSYAZAXFGLU-INIZCTEOSA-N -1 0 328.412 3.553 20 0 EHADRM Cc1c(F)cc(Cl)c2c1CCCN2C(=O)CCCCC(=O)[O-] ZINC001605081825 972720454 /nfs/dbraw/zinc/72/04/54/972720454.db2.gz RAOKPCSBRSSBBH-UHFFFAOYSA-N -1 0 327.783 3.712 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1ccc2c(Cl)cccc2n1)C1CCCC1 ZINC001605900429 972721267 /nfs/dbraw/zinc/72/12/67/972721267.db2.gz AGGFTFZRJQYMJO-OAHLLOKOSA-N -1 0 332.787 3.718 20 0 EHADRM O=C([O-])C1(C(=O)N2CCC[C@](F)(c3ccccc3)C2)CCCCC1 ZINC001605911790 972779062 /nfs/dbraw/zinc/77/90/62/972779062.db2.gz FIGYHRMBFHTMAI-LJQANCHMSA-N -1 0 333.403 3.509 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NCC2CCC(C(C)(C)C)CC2)C1 ZINC001603363110 972838353 /nfs/dbraw/zinc/83/83/53/972838353.db2.gz QTPNMYNYMXNXET-CIDNJEQPSA-N -1 0 338.492 3.591 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000396350552 972861850 /nfs/dbraw/zinc/86/18/50/972861850.db2.gz DVRGGYAAYFVGJA-SNVBAGLBSA-N -1 0 348.196 3.890 20 0 EHADRM CCc1nc(CN(C)C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cs1 ZINC000396352474 972862115 /nfs/dbraw/zinc/86/21/15/972862115.db2.gz CYTRFZCSILKTLD-NSHDSACASA-N -1 0 347.440 3.558 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1 ZINC000396357984 972865348 /nfs/dbraw/zinc/86/53/48/972865348.db2.gz COENVTIDRDCZFR-GFCCVEGCSA-N -1 0 336.347 3.782 20 0 EHADRM Cc1cccc(OCCC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c1 ZINC000396444349 972890417 /nfs/dbraw/zinc/89/04/17/972890417.db2.gz PAEBIKQWBCQTNT-AWEZNQCLSA-N -1 0 327.380 3.591 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N[C@@H](C)Cc2ccsc2)cc1 ZINC000396449507 972891944 /nfs/dbraw/zinc/89/19/44/972891944.db2.gz RCBXMICBLMAEIE-NWDGAFQWSA-N -1 0 332.425 3.689 20 0 EHADRM Cc1cc(F)ccc1[C@H]1CCCN1C(=O)Nc1cccnc1C(=O)[O-] ZINC001605179612 972894700 /nfs/dbraw/zinc/89/47/00/972894700.db2.gz QZOUFHBXBPCFDR-OAHLLOKOSA-N -1 0 343.358 3.596 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CCSC(C)(C)CC2)cc1 ZINC000396467547 972896320 /nfs/dbraw/zinc/89/63/20/972896320.db2.gz WUBGGWMUDGIILE-GFCCVEGCSA-N -1 0 336.457 3.624 20 0 EHADRM CC(C)c1ccc(S(=O)(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cc1 ZINC000396475321 972899903 /nfs/dbraw/zinc/89/99/03/972899903.db2.gz DWUJWXGKDGTPMB-ZDUSSCGKSA-N -1 0 347.436 3.799 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000396655927 972931693 /nfs/dbraw/zinc/93/16/93/972931693.db2.gz WCXRVHQXWHSLAQ-SECBINFHSA-N -1 0 348.742 3.689 20 0 EHADRM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21 ZINC001603383150 972975883 /nfs/dbraw/zinc/97/58/83/972975883.db2.gz OADIBGAANRCDOL-WTNVTLLGSA-N -1 0 341.451 3.739 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001605224689 972976770 /nfs/dbraw/zinc/97/67/70/972976770.db2.gz VOCCBQYIZXNFEX-GDBMZVCRSA-N -1 0 333.428 3.609 20 0 EHADRM Cc1ccc(SC[C@@H](C)NC(=O)c2coc(/C=C\C(=O)[O-])c2)cc1 ZINC001605307224 973123296 /nfs/dbraw/zinc/12/32/96/973123296.db2.gz GELWXLWEPMIDMM-DMTLFAOVSA-N -1 0 345.420 3.596 20 0 EHADRM CO[C@@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)C1CCCCC1 ZINC001604419730 973173800 /nfs/dbraw/zinc/17/38/00/973173800.db2.gz BTCQCSIFWBETQO-CQSZACIVSA-N -1 0 343.782 3.711 20 0 EHADRM Cc1cccc(Cl)c1CC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001605339498 973225931 /nfs/dbraw/zinc/22/59/31/973225931.db2.gz NFTIRLMBAWYCGB-CQSZACIVSA-N -1 0 325.836 3.587 20 0 EHADRM Cc1cccc(OC(F)F)c1NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001605345382 973240690 /nfs/dbraw/zinc/24/06/90/973240690.db2.gz USHATUUEYPKANW-SOFGYWHQSA-N -1 0 337.278 3.540 20 0 EHADRM Cc1ccccc1C1(C(=O)N2CCCc3cc(C(=O)[O-])ccc32)CC1 ZINC001605350731 973253643 /nfs/dbraw/zinc/25/36/43/973253643.db2.gz BVAVWMCVQFZRCW-UHFFFAOYSA-N -1 0 335.403 3.704 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1c1cc(SCc2ccccc2)ncn1 ZINC001606090686 973258595 /nfs/dbraw/zinc/25/85/95/973258595.db2.gz OWIQUOUVGUFHRF-HNNXBMFYSA-N -1 0 343.452 3.603 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000400498034 973289584 /nfs/dbraw/zinc/28/95/84/973289584.db2.gz MGMIBOUNYUZFLU-KDOFPFPSSA-N -1 0 325.408 3.973 20 0 EHADRM CO[C@@](C)(C(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2)c(Cl)c1 ZINC001604464645 973338015 /nfs/dbraw/zinc/33/80/15/973338015.db2.gz YGWOWSKKQHOKKU-QGZVFWFLSA-N -1 0 349.770 3.561 20 0 EHADRM Cc1nc(-c2ccccc2)c(-c2nc(C3(C(=O)[O-])CCC3)no2)s1 ZINC001605393749 973367517 /nfs/dbraw/zinc/36/75/17/973367517.db2.gz SLSTVLCFSQAFTM-UHFFFAOYSA-N -1 0 341.392 3.675 20 0 EHADRM CC(C)SCC(=O)Nc1sc2c(c1C(=O)[O-])C[C@@H](C)O[C@@H]2C ZINC001603476535 973370934 /nfs/dbraw/zinc/37/09/34/973370934.db2.gz XMJWRJFOYWTLNC-RKDXNWHRSA-N -1 0 343.470 3.549 20 0 EHADRM CC(C)SCC(=O)Nc1sc2c(c1C(=O)[O-])C[C@H](C)O[C@H]2C ZINC001603476531 973371317 /nfs/dbraw/zinc/37/13/17/973371317.db2.gz XMJWRJFOYWTLNC-IUCAKERBSA-N -1 0 343.470 3.549 20 0 EHADRM C/C=C/COc1cccc(CC(=O)Nc2sccc2C(=O)[O-])c1 ZINC001603481652 973389958 /nfs/dbraw/zinc/38/99/58/973389958.db2.gz DCJVVOGJOGALQD-NSCUHMNNSA-N -1 0 331.393 3.582 20 0 EHADRM CCC(=O)c1ccc(NC(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2)cc1 ZINC001603486558 973413742 /nfs/dbraw/zinc/41/37/42/973413742.db2.gz YQJMKKQLDAIULM-QGZVFWFLSA-N -1 0 340.379 3.535 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc(OCC2CCCCC2)cc1)C1CCC1 ZINC001606221024 973474844 /nfs/dbraw/zinc/47/48/44/973474844.db2.gz LLEUGWWGZGBOMO-UHFFFAOYSA-N -1 0 345.439 3.725 20 0 EHADRM CCC(C)(C)OCc1ccccc1NC(=O)N(C)CCCC(=O)[O-] ZINC001603507984 973488330 /nfs/dbraw/zinc/48/83/30/973488330.db2.gz DJYQQPJYFSCSMV-UHFFFAOYSA-N -1 0 336.432 3.720 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)NCCCOc1ccc2ccccc2c1 ZINC001603522468 973553476 /nfs/dbraw/zinc/55/34/76/973553476.db2.gz MOATUULNFXDQHD-UHFFFAOYSA-N -1 0 343.423 3.616 20 0 EHADRM Cc1sccc1CC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001605466926 973567152 /nfs/dbraw/zinc/56/71/52/973567152.db2.gz GAWSHCPXCOLNKC-UHFFFAOYSA-N -1 0 327.764 3.728 20 0 EHADRM CCC(CC)(CNC(=O)N[C@](C)(Cc1ccccc1)C1CC1)C(=O)[O-] ZINC001603535269 973588716 /nfs/dbraw/zinc/58/87/16/973588716.db2.gz LJFWAFDCUBDMHZ-LJQANCHMSA-N -1 0 346.471 3.588 20 0 EHADRM CC[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])c(C)c1)CC(F)(F)F ZINC000402547778 973622709 /nfs/dbraw/zinc/62/27/09/973622709.db2.gz CSRVTROXDYYGGT-SNVBAGLBSA-N -1 0 332.322 3.793 20 0 EHADRM CC[C@@H](CNC(=O)N1CCC[C@]1(CC)CCc1ccccc1)C(=O)[O-] ZINC001603557440 973645887 /nfs/dbraw/zinc/64/58/87/973645887.db2.gz VDWDCKXJZQSKFP-FXAWDEMLSA-N -1 0 346.471 3.684 20 0 EHADRM O=C([O-])COc1ccc(C(=O)O[C@H]2CCc3c2cccc3Cl)cc1 ZINC001606285205 973678375 /nfs/dbraw/zinc/67/83/75/973678375.db2.gz PAYXKDIOBLAGNQ-INIZCTEOSA-N -1 0 346.766 3.648 20 0 EHADRM CC[C@H](CNC(=O)Nc1ccc(OC2CCCCC2)cc1)C(=O)[O-] ZINC001603565843 973688021 /nfs/dbraw/zinc/68/80/21/973688021.db2.gz MNWOJUCKBPJILT-CYBMUJFWSA-N -1 0 334.416 3.630 20 0 EHADRM O=C([O-])c1cc(NC(=O)NC2C[C@H]3CC[C@@H](C2)S3)ccc1Cl ZINC000403813488 973690036 /nfs/dbraw/zinc/69/00/36/973690036.db2.gz NCAMEAOVURFPIR-FGWVZKOKSA-N -1 0 340.832 3.586 20 0 EHADRM O=C([O-])COc1cccc(C(=O)O[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC001606291482 973694726 /nfs/dbraw/zinc/69/47/26/973694726.db2.gz KNQBLCUWMHIROB-JKIFEVAISA-N -1 0 332.396 3.666 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)NCc2cc(C3CC3)ccc2F)c1 ZINC001606312296 973726467 /nfs/dbraw/zinc/72/64/67/973726467.db2.gz GVYNHOMISBNZFM-UHFFFAOYSA-N -1 0 342.370 3.652 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2ccc(Nc3cccnc3)cc2)c1 ZINC001606312432 973727847 /nfs/dbraw/zinc/72/78/47/973727847.db2.gz PNBCIUVTRDUKCD-UHFFFAOYSA-N -1 0 347.374 3.705 20 0 EHADRM Cc1ccc(NC(=O)N2CCc3ccccc3[C@@H](C)C2)cc1C(=O)[O-] ZINC000404797870 973751234 /nfs/dbraw/zinc/75/12/34/973751234.db2.gz UENBKCRJTHNZMR-AWEZNQCLSA-N -1 0 338.407 3.887 20 0 EHADRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)Nc1ccccc1SC(F)F ZINC000405237009 973796447 /nfs/dbraw/zinc/79/64/47/973796447.db2.gz YZVLFOXIOXJPDB-VHSXEESVSA-N -1 0 344.383 3.766 20 0 EHADRM Cc1cc(Cl)c(NC(=O)NC[C@@H](CC2CC2)C(=O)[O-])cc1Cl ZINC000405291877 973817265 /nfs/dbraw/zinc/81/72/65/973817265.db2.gz YKBCMWHMFHSPNC-SNVBAGLBSA-N -1 0 345.226 3.924 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)C1 ZINC001603602068 973861492 /nfs/dbraw/zinc/86/14/92/973861492.db2.gz ZJMKIKIAMCIOKQ-HLIPFELVSA-N -1 0 344.455 3.609 20 0 EHADRM COc1cc(C(=O)N2CCCc3cc(C(=O)[O-])ccc32)ccc1Cl ZINC001604686460 973882431 /nfs/dbraw/zinc/88/24/31/973882431.db2.gz GXFUGNJXIJQBML-UHFFFAOYSA-N -1 0 345.782 3.640 20 0 EHADRM CCC1(CC)CCCN(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)C1 ZINC001603612091 973895573 /nfs/dbraw/zinc/89/55/73/973895573.db2.gz YZOPDORXCOEHOR-LJQANCHMSA-N -1 0 346.471 3.641 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)C[C@@H]2CCOc3ccccc32)cc1 ZINC000414462332 973940955 /nfs/dbraw/zinc/94/09/55/973940955.db2.gz ZHHXHHGQVUJHSL-ZFWWWQNUSA-N -1 0 339.391 3.770 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)cc1 ZINC001606478802 973958653 /nfs/dbraw/zinc/95/86/53/973958653.db2.gz OVRIXKAJPHBQTP-KOMQPUFPSA-N -1 0 329.783 3.714 20 0 EHADRM CCCC1CCC(NC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)CC1 ZINC001603635324 973968414 /nfs/dbraw/zinc/96/84/14/973968414.db2.gz BKSAWHXQPLOQQY-MKJPBZQASA-N -1 0 346.471 3.687 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cc(-c3ccc(F)cc3)no2)cc1 ZINC001606494799 973977076 /nfs/dbraw/zinc/97/70/76/973977076.db2.gz CHXOCFJNWUGMED-UHFFFAOYSA-N -1 0 341.294 3.536 20 0 EHADRM O=C([O-])c1ccc(CNc2ccccc2[C@@H](O)C(F)(F)F)cc1 ZINC001606495072 973978780 /nfs/dbraw/zinc/97/87/80/973978780.db2.gz KOPDXIWKSZAWDD-CQSZACIVSA-N -1 0 325.286 3.593 20 0 EHADRM COc1ccc([C@H](NC(=O)[C@@H](C(=O)[O-])C2CCCC2)C2CCC2)cc1 ZINC001604772822 973994613 /nfs/dbraw/zinc/99/46/13/973994613.db2.gz RHPPRCNRQFNYMD-ZWKOTPCHSA-N -1 0 345.439 3.544 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)NCCC(C)(C)C(=O)[O-])cc1C ZINC000424397777 974028479 /nfs/dbraw/zinc/02/84/79/974028479.db2.gz LGQCUEZESRKDDL-INIZCTEOSA-N -1 0 332.444 3.651 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)Cc1csc2ccc(Cl)cc12)C(=O)[O-] ZINC000431465169 974066158 /nfs/dbraw/zinc/06/61/58/974066158.db2.gz MTEHOJGBSAHKHW-PSLIRLAXSA-N -1 0 339.844 3.713 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000431874732 974077197 /nfs/dbraw/zinc/07/71/97/974077197.db2.gz FVCHPCDYLWYWBK-JYJNAYRXSA-N -1 0 339.476 3.512 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1ccc(C(F)(F)F)nc1 ZINC000431980707 974079552 /nfs/dbraw/zinc/07/95/52/974079552.db2.gz KNHSKPXUCVHINC-UHFFFAOYSA-N -1 0 338.285 3.668 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N2CCC[C@H]2/C=C\c2ccccc2)c1 ZINC000432128579 974090267 /nfs/dbraw/zinc/09/02/67/974090267.db2.gz GNHLBNCGPHNWAZ-JZHDPFOFSA-N -1 0 335.403 3.632 20 0 EHADRM Cc1cc(C)cc([C@@H]2CCN(C(=O)c3ccc(C(=O)[O-])s3)C2)c1 ZINC000432138160 974092227 /nfs/dbraw/zinc/09/22/27/974092227.db2.gz WNMRJZABMJBIFW-CYBMUJFWSA-N -1 0 329.421 3.693 20 0 EHADRM COc1ccc2sc(C(=O)Nc3ncccc3C(=O)[O-])c(C)c2c1 ZINC001604855149 974096956 /nfs/dbraw/zinc/09/69/56/974096956.db2.gz SARSETIAMDHXGY-UHFFFAOYSA-N -1 0 342.376 3.564 20 0 EHADRM COc1c(C)cc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1C ZINC000439925496 974113177 /nfs/dbraw/zinc/11/31/77/974113177.db2.gz QPCIPTAGJHHYFF-UHFFFAOYSA-N -1 0 333.771 3.916 20 0 EHADRM CCN(C(=O)Cc1ccccc1Oc1ccc(C)cc1)[C@H](C)C(=O)[O-] ZINC001603713782 974119793 /nfs/dbraw/zinc/11/97/93/974119793.db2.gz JKPODLTUUFKLJO-OAHLLOKOSA-N -1 0 341.407 3.651 20 0 EHADRM Cc1cccc([C@@H](C)C(=O)N[C@](C)(CC(=O)[O-])c2cccc(F)c2)c1 ZINC000448986992 974126990 /nfs/dbraw/zinc/12/69/90/974126990.db2.gz ABWLYCKOOMZQHG-JLTOFOAXSA-N -1 0 343.398 3.744 20 0 EHADRM C[C@H](C(=O)N[C@](C)(CC(=O)[O-])c1cccc(F)c1)c1ccccc1F ZINC000448988578 974129568 /nfs/dbraw/zinc/12/95/68/974129568.db2.gz DXBQCOMSWKUOGA-HXPMCKFVSA-N -1 0 347.361 3.575 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N[C@@H](CC(C)C)c1cccs1 ZINC000455840881 974153591 /nfs/dbraw/zinc/15/35/91/974153591.db2.gz FPZATHZECNUCCX-LBPRGKRZSA-N -1 0 335.425 3.794 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CCC[C@@H]1c1ccc(C)c(C)c1 ZINC000455839803 974153636 /nfs/dbraw/zinc/15/36/36/974153636.db2.gz DBBPYJGQRJKNQB-MRXNPFEDSA-N -1 0 341.407 3.809 20 0 EHADRM O=C([O-])c1ccc(COC(=O)Cc2coc3c2ccc(F)c3F)cc1 ZINC001605723551 974156385 /nfs/dbraw/zinc/15/63/85/974156385.db2.gz JMBXWJMTRFPDFG-UHFFFAOYSA-N -1 0 346.285 3.695 20 0 EHADRM CCc1occc1C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000455934762 974173308 /nfs/dbraw/zinc/17/33/08/974173308.db2.gz SIOJXYWLIWNXAH-ZDUSSCGKSA-N -1 0 341.285 3.574 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)CCc2cc(F)ccc2F)c1 ZINC000467931482 974192942 /nfs/dbraw/zinc/19/29/42/974192942.db2.gz MLSABEVYRWTYGA-UHFFFAOYSA-N -1 0 333.334 3.553 20 0 EHADRM Nc1ccc(-c2cnn(-c3ccc(C(=O)[O-])c(C(F)(F)F)c3)c2)cc1 ZINC001211487315 1014173498 /nfs/dbraw/zinc/17/34/98/1014173498.db2.gz BUUMUPMLQWCXTH-UHFFFAOYSA-N -1 0 347.296 3.839 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCCc2csc3ccccc23)c(F)c1 ZINC000478829764 974208283 /nfs/dbraw/zinc/20/82/83/974208283.db2.gz SQKGRAOUCOPKHG-UHFFFAOYSA-N -1 0 343.379 3.711 20 0 EHADRM Cc1c(CO)cccc1Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001211487386 1014176335 /nfs/dbraw/zinc/17/63/35/1014176335.db2.gz FOHGHHCDTVISJH-UHFFFAOYSA-N -1 0 325.286 3.948 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)NCC2(CC(=O)[O-])CCCCC2)c1 ZINC000537473654 974384454 /nfs/dbraw/zinc/38/44/54/974384454.db2.gz WQKSVMBCKDHINS-HNNXBMFYSA-N -1 0 347.455 3.730 20 0 EHADRM CCSc1ccccc1C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000538504965 974390244 /nfs/dbraw/zinc/39/02/44/974390244.db2.gz YTWURQDCJYBJHQ-UHFFFAOYSA-N -1 0 333.409 3.670 20 0 EHADRM O=C([O-])CC1(CNC(=O)C[C@H]2CCc3ccccc3C2)CCCCC1 ZINC000539676263 974398616 /nfs/dbraw/zinc/39/86/16/974398616.db2.gz MBGBUZAGHRJGIL-INIZCTEOSA-N -1 0 343.467 3.723 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)CCc1cccc(Cl)c1)CC2 ZINC000539679127 974401468 /nfs/dbraw/zinc/40/14/68/974401468.db2.gz PFJDOCJKPUZOND-UHFFFAOYSA-N -1 0 343.810 3.556 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000539686722 974402432 /nfs/dbraw/zinc/40/24/32/974402432.db2.gz GGETWFNAGQSMKC-OAHLLOKOSA-N -1 0 331.456 3.846 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1ccc(N2CCCCCC2)cc1)C(=O)[O-] ZINC001603926815 974419301 /nfs/dbraw/zinc/41/93/01/974419301.db2.gz GUMSEHCIHNTNIL-YOEHRIQHSA-N -1 0 347.459 3.688 20 0 EHADRM CCc1ccc2ccccc2c1CNC(=O)NCCC(C)(C)C(=O)[O-] ZINC001603975245 974465102 /nfs/dbraw/zinc/46/51/02/974465102.db2.gz BQUZOPQKRLGXCE-UHFFFAOYSA-N -1 0 342.439 3.702 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)c1ncnc2cc(Cl)ccc21 ZINC000558181520 974494636 /nfs/dbraw/zinc/49/46/36/974494636.db2.gz KOQLXFJSFYAOQH-UHFFFAOYSA-N -1 0 327.771 3.618 20 0 EHADRM COc1ccc(-c2ccc(CNC(=O)C[C@@H](C)CC(=O)[O-])s2)cc1 ZINC000563898844 974541520 /nfs/dbraw/zinc/54/15/20/974541520.db2.gz RXQUMZWBDGIEIT-GFCCVEGCSA-N -1 0 347.436 3.541 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2ccnc(Oc3ccccc3)c2)cc1 ZINC000564277226 974546653 /nfs/dbraw/zinc/54/66/53/974546653.db2.gz LZJAESYGAIORIY-UHFFFAOYSA-N -1 0 348.358 3.753 20 0 EHADRM O=C([O-])c1ccc(CN2CCO[C@@H](c3ccsc3)C2)cc1Cl ZINC000565103460 974568734 /nfs/dbraw/zinc/56/87/34/974568734.db2.gz FFORBMYYXUIVRI-OAHLLOKOSA-N -1 0 337.828 3.673 20 0 EHADRM CCc1ccnc(CNc2nc(C)nc3sc(C(=O)[O-])c(C)c32)c1 ZINC000565366824 974581411 /nfs/dbraw/zinc/58/14/11/974581411.db2.gz HCBUOEVZGSUGGH-UHFFFAOYSA-N -1 0 342.424 3.576 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000568063408 974658342 /nfs/dbraw/zinc/65/83/42/974658342.db2.gz GDWCGQRVRLKDMH-AWEZNQCLSA-N -1 0 336.819 3.926 20 0 EHADRM COc1ccc(C[C@H](C)Nc2cccc(CC(=O)[O-])c2)c(C)c1OC ZINC000568604601 974674714 /nfs/dbraw/zinc/67/47/14/974674714.db2.gz FZQQRMNKVIFGED-ZDUSSCGKSA-N -1 0 343.423 3.682 20 0 EHADRM C[C@H]1[C@@H](C(=O)[O-])CCN1c1nc(-c2cccs2)nc2ccccc21 ZINC000569609384 974695594 /nfs/dbraw/zinc/69/55/94/974695594.db2.gz YUQHGVPDMPFECP-RYUDHWBXSA-N -1 0 339.420 3.658 20 0 EHADRM Cc1oc(CN(C)Cc2ccccc2OC(F)(F)F)cc1C(=O)[O-] ZINC000570639113 974715626 /nfs/dbraw/zinc/71/56/26/974715626.db2.gz SQHRTFFEMKIVHQ-UHFFFAOYSA-N -1 0 343.301 3.817 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)NCc1ccccc1Sc1ccccc1 ZINC000571701261 974734032 /nfs/dbraw/zinc/73/40/32/974734032.db2.gz ICEAEWKLKWLVQZ-AWEZNQCLSA-N -1 0 343.448 3.955 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@H](C)c2ccccc2Cl)cc1C ZINC000107962949 1014215251 /nfs/dbraw/zinc/21/52/51/1014215251.db2.gz OBBKDRPIVGJKSW-FATZIPQQSA-N -1 0 349.883 3.942 20 0 EHADRM Cc1ccc(CC(=O)[O-])cc1-c1ccc(NC(=O)C(C)(C)C)nc1 ZINC000574054245 974776045 /nfs/dbraw/zinc/77/60/45/974776045.db2.gz JOGLOTFGQUJADR-UHFFFAOYSA-N -1 0 326.396 3.669 20 0 EHADRM O=C([O-])COc1cccc(C(=O)N2CCCC[C@H]2c2ccccc2)c1 ZINC000577075112 974828299 /nfs/dbraw/zinc/82/82/99/974828299.db2.gz PQBMBXJDTQCHKN-SFHVURJKSA-N -1 0 339.391 3.517 20 0 EHADRM CCCc1nc(C)c([N-]S(=O)(=O)c2ccc3ncccc3c2)s1 ZINC000547618829 1014218419 /nfs/dbraw/zinc/21/84/19/1014218419.db2.gz XEEKETMDLAJUSY-UHFFFAOYSA-N -1 0 347.465 3.753 20 0 EHADRM Cc1cc(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)sc1-c1ccccc1 ZINC000577865538 974843223 /nfs/dbraw/zinc/84/32/23/974843223.db2.gz FEVWIUCRSISZLF-TZMCWYRMSA-N -1 0 329.421 3.516 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)c1cnc2ccsc2c1)c1ccccc1 ZINC000578708297 974860312 /nfs/dbraw/zinc/86/03/12/974860312.db2.gz RKXLJEIXLFVVGB-AWEZNQCLSA-N -1 0 340.404 3.632 20 0 EHADRM CC(C)COc1ccc(CN[C@@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC000578867746 974863017 /nfs/dbraw/zinc/86/30/17/974863017.db2.gz BBALSUATCPGHIG-LBPRGKRZSA-N -1 0 334.441 3.727 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc3[nH]c(=O)ccc3c2)cc1C(F)(F)F ZINC001211487923 1014220557 /nfs/dbraw/zinc/22/05/57/1014220557.db2.gz WVDPRVRKHGQDRQ-UHFFFAOYSA-N -1 0 348.280 3.989 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@H]2CCc3cc(F)ccc32)cc1 ZINC000582676433 974929583 /nfs/dbraw/zinc/92/95/83/974929583.db2.gz DYXZMCSTYCRPGY-KRWDZBQOSA-N -1 0 327.355 3.511 20 0 EHADRM Cc1cc([C@H](NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C2CC2)ccc1F ZINC000583946236 974947938 /nfs/dbraw/zinc/94/79/38/974947938.db2.gz UQPTZJYDKYVOIW-CKEIUWERSA-N -1 0 333.403 3.592 20 0 EHADRM CSCC1(CC(=O)NCc2c3ccccc3sc2C(=O)[O-])CC1 ZINC000593694833 974982157 /nfs/dbraw/zinc/98/21/57/974982157.db2.gz BCCOBKHWMAOMMM-UHFFFAOYSA-N -1 0 349.477 3.749 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)c1 ZINC000593694836 974982296 /nfs/dbraw/zinc/98/22/96/974982296.db2.gz BHWBKRMAXJYRRO-UKPHBRMFSA-N -1 0 345.464 3.935 20 0 EHADRM CC[C@@H](C(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000621557734 975031646 /nfs/dbraw/zinc/03/16/46/975031646.db2.gz OELUFMCPKYXXSX-QGZVFWFLSA-N -1 0 327.355 3.560 20 0 EHADRM Cc1c(C(=O)N(CC(=O)[O-])C2CCCC2)cccc1-c1ccccn1 ZINC000621576309 975038033 /nfs/dbraw/zinc/03/80/33/975038033.db2.gz HCKGLYHTPAHTRH-UHFFFAOYSA-N -1 0 338.407 3.526 20 0 EHADRM C[C@@H](NC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1)c1ncc(C(=O)[O-])s1 ZINC000621610641 975059178 /nfs/dbraw/zinc/05/91/78/975059178.db2.gz NAJGVEWUTGHLCW-UTUOFQBUSA-N -1 0 338.473 3.871 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ncc(C(=O)[O-])s1 ZINC000621611457 975060826 /nfs/dbraw/zinc/06/08/26/975060826.db2.gz CVQVNAKPYJFNJB-QNWHQSFQSA-N -1 0 336.457 3.625 20 0 EHADRM O=C([O-])[C@]12CN(C(=O)c3cc4ccc(Cl)cc4[nH]3)C[C@H]1CCCC2 ZINC000621614818 975062304 /nfs/dbraw/zinc/06/23/04/975062304.db2.gz VQKVCSFGLCAWRM-KZULUSFZSA-N -1 0 346.814 3.538 20 0 EHADRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000621707306 975063541 /nfs/dbraw/zinc/06/35/41/975063541.db2.gz SMDQXJJSMQUWBA-LLVKDONJSA-N -1 0 336.819 3.606 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H](c2ccco2)c2ccccc2)s1 ZINC000627770663 975073242 /nfs/dbraw/zinc/07/32/42/975073242.db2.gz CHBMGFQVIYBFDJ-OAHLLOKOSA-N -1 0 327.361 3.559 20 0 EHADRM O=C([O-])CC1CCN(C(=O)c2cc3c(ccc4ccccc34)o2)CC1 ZINC000630100386 975101386 /nfs/dbraw/zinc/10/13/86/975101386.db2.gz JELOGWTWLFETDF-UHFFFAOYSA-N -1 0 337.375 3.913 20 0 EHADRM Cc1cc(C(=O)Nc2ccccc2OC2CCCC2)oc1C(=O)[O-] ZINC000630110782 975105436 /nfs/dbraw/zinc/10/54/36/975105436.db2.gz HBDQBLKQFQDVRP-UHFFFAOYSA-N -1 0 329.352 3.860 20 0 EHADRM Cc1cc(C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)oc1C(=O)[O-] ZINC000630112072 975106117 /nfs/dbraw/zinc/10/61/17/975106117.db2.gz XEECFYKNCFNSSB-OAHLLOKOSA-N -1 0 325.364 3.578 20 0 EHADRM Cc1cccc([C@H]2CCCCCN2C(=O)c2cncc(C(=O)[O-])c2)c1 ZINC000630120199 975110283 /nfs/dbraw/zinc/11/02/83/975110283.db2.gz ROXOZMOZYFOQPQ-GOSISDBHSA-N -1 0 338.407 3.846 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)[C@@H]1Cc2ccc(Cl)cc21)c1ccccc1 ZINC000630126279 975112192 /nfs/dbraw/zinc/11/21/92/975112192.db2.gz FZTGDEYMBDZCFK-IAGOWNOFSA-N -1 0 343.810 3.702 20 0 EHADRM C[C@@H]1C[C@H](C(=O)Nc2ccc(SC3CCCC3)cc2)O[C@H]1C(=O)[O-] ZINC000630148507 975130026 /nfs/dbraw/zinc/13/00/26/975130026.db2.gz CMBFPJMRXZJXNC-HFBAOOFYSA-N -1 0 349.452 3.538 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)c2ccccc21 ZINC000630171230 975141598 /nfs/dbraw/zinc/14/15/98/975141598.db2.gz SPANSTBVUOSRLQ-NUJGCVRESA-N -1 0 335.403 3.785 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)Cc1cc(Cl)cc2ccccc21)CC1CC1 ZINC000630199068 975157088 /nfs/dbraw/zinc/15/70/88/975157088.db2.gz CIOKFQRZCIJOQQ-OAHLLOKOSA-N -1 0 345.826 3.653 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)c1ccc(C(F)F)o1 ZINC000630218284 975164222 /nfs/dbraw/zinc/16/42/22/975164222.db2.gz XVJWSZIAJWNRRB-RYUDHWBXSA-N -1 0 341.354 3.713 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)c1ccco1 ZINC000630218435 975164904 /nfs/dbraw/zinc/16/49/04/975164904.db2.gz FZGXIHYSGBQCPK-SECBINFHSA-N -1 0 339.294 3.712 20 0 EHADRM C[C@@H](Oc1ccc(NC(=O)C2CCC(C3CC3)CC2)cc1F)C(=O)[O-] ZINC000630260584 975204769 /nfs/dbraw/zinc/20/47/69/975204769.db2.gz LBBYEJOWXWAMMI-LMWSTFAQSA-N -1 0 349.402 3.833 20 0 EHADRM CC1(C)[C@@H](c2ccc(F)cc2)CCN1C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000630266691 975210630 /nfs/dbraw/zinc/21/06/30/975210630.db2.gz BHBAHIGHABWMLK-BFYDXBDKSA-N -1 0 347.430 3.811 20 0 EHADRM Cc1ccc(CCC(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)cc1Cl ZINC000630286095 975230399 /nfs/dbraw/zinc/23/03/99/975230399.db2.gz PVIPVAGRLDJSFR-YQQAZPJKSA-N -1 0 349.858 3.683 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)cc1 ZINC000630287205 975231742 /nfs/dbraw/zinc/23/17/42/975231742.db2.gz XANLZTRRDMBUGH-OAOYMFHYSA-N -1 0 343.467 3.844 20 0 EHADRM CCc1ccc([C@@H]2CCCN(C(=O)c3cc(C(=O)[O-])co3)C2)cc1 ZINC000630294680 975234972 /nfs/dbraw/zinc/23/49/72/975234972.db2.gz PCLFWZNQMOIOAC-OAHLLOKOSA-N -1 0 327.380 3.560 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000630296282 975235678 /nfs/dbraw/zinc/23/56/78/975235678.db2.gz AFJCVTOEDHEIGI-GOSISDBHSA-N -1 0 341.382 3.820 20 0 EHADRM CCOc1ccc(N(CC2CC2)C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000630304275 975241440 /nfs/dbraw/zinc/24/14/40/975241440.db2.gz GNCYWNLPONGLKM-HZPDHXFCSA-N -1 0 345.439 3.719 20 0 EHADRM Cc1cc(CNC(=O)c2ccccc2SC(C)C)oc1C(=O)[O-] ZINC000630332594 975260959 /nfs/dbraw/zinc/26/09/59/975260959.db2.gz DYJKWVNEZWJEOO-UHFFFAOYSA-N -1 0 333.409 3.717 20 0 EHADRM Cc1cccc(C[C@]2(C)CCCN2C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000630340630 975263318 /nfs/dbraw/zinc/26/33/18/975263318.db2.gz HYKLDUZFUFJPNE-UEXGIBASSA-N -1 0 343.467 3.810 20 0 EHADRM C[C@H](NCc1ccc(CC(F)(F)F)cc1)c1ncc(C(=O)[O-])s1 ZINC000630462741 975266275 /nfs/dbraw/zinc/26/62/75/975266275.db2.gz RIQCIUKIHMTHOR-VIFPVBQESA-N -1 0 344.358 3.797 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000634836664 975278433 /nfs/dbraw/zinc/27/84/33/975278433.db2.gz LHGWHQADZZJXSP-ZIAGYGMSSA-N -1 0 342.395 3.552 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000644874482 975327132 /nfs/dbraw/zinc/32/71/32/975327132.db2.gz IWEVWGSBXGYEMP-AEFFLSMTSA-N -1 0 345.483 3.913 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)Nc2ccc(CCC(F)(F)F)cc2)C1 ZINC000647697346 975374191 /nfs/dbraw/zinc/37/41/91/975374191.db2.gz CQTJVKKGSBOYHQ-YPMHNXCESA-N -1 0 344.333 3.556 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)c1csc2c1CCCC2 ZINC000648044303 975380074 /nfs/dbraw/zinc/38/00/74/975380074.db2.gz IUNQJPBZCVRQED-UHFFFAOYSA-N -1 0 343.448 3.744 20 0 EHADRM Cc1cc(Cl)cc(C(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)c1 ZINC000649253399 975390960 /nfs/dbraw/zinc/39/09/60/975390960.db2.gz XJKDNFQWYXBZFD-UHFFFAOYSA-N -1 0 344.798 3.549 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC000652066446 975465107 /nfs/dbraw/zinc/46/51/07/975465107.db2.gz KQMIKKGLSQPGQL-MSOLQXFVSA-N -1 0 329.440 3.706 20 0 EHADRM CC(C)O[C@@H](C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1)c1ccccc1 ZINC001591686225 975494081 /nfs/dbraw/zinc/49/40/81/975494081.db2.gz JRIDUNCXXGDHDN-QZTJIDSGSA-N -1 0 347.455 3.550 20 0 EHADRM CC(C)O[C@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])c1ccccc1 ZINC001591687318 975501675 /nfs/dbraw/zinc/50/16/75/975501675.db2.gz ZLIXTHVWVZZNLA-ROUUACIJSA-N -1 0 347.455 3.693 20 0 EHADRM CCC[C@@H]1CN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CCO1 ZINC000652419460 975528995 /nfs/dbraw/zinc/52/89/95/975528995.db2.gz WRJBNCJWFDYFKX-YGRLFVJLSA-N -1 0 332.227 3.620 20 0 EHADRM O=C([O-])CN(Cc1coc(-c2ccc(F)cc2)n1)C1CCCCC1 ZINC000652482490 975549676 /nfs/dbraw/zinc/54/96/76/975549676.db2.gz CUYDFHLNQKCRRS-UHFFFAOYSA-N -1 0 332.375 3.700 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N(C)[C@H](C)c2ccccc2)c(C)c1 ZINC000107971874 1014268455 /nfs/dbraw/zinc/26/84/55/1014268455.db2.gz XSIZZSRMWNROFK-MWTRTKDXSA-N -1 0 329.465 3.631 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1cccc(CC(=O)[O-])c1 ZINC000653641520 975607674 /nfs/dbraw/zinc/60/76/74/975607674.db2.gz NDAOEPNIMAWEAE-CYBMUJFWSA-N -1 0 345.826 3.670 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000653644300 975612556 /nfs/dbraw/zinc/61/25/56/975612556.db2.gz DDUYCMHYNVKNKW-YJBOKZPZSA-N -1 0 341.382 3.519 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000653644612 975613851 /nfs/dbraw/zinc/61/38/51/975613851.db2.gz ZMUXWTWOCWCGDI-XUVXKRRUSA-N -1 0 349.430 3.722 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)C[C@H](C)CC(=O)[O-])cc1F ZINC000656249337 975658249 /nfs/dbraw/zinc/65/82/49/975658249.db2.gz VVZDRPCAMKRJJD-LBPRGKRZSA-N -1 0 325.380 3.690 20 0 EHADRM C[C@@H](Oc1ccc([C@H](C)NC(=O)CCC(=O)[O-])cc1)c1ccccc1 ZINC000656487810 975660944 /nfs/dbraw/zinc/66/09/44/975660944.db2.gz ZORAPDXMYAEPRA-LSDHHAIUSA-N -1 0 341.407 3.869 20 0 EHADRM C[C@]1(C2CC2)CN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CCO1 ZINC000656757404 975684275 /nfs/dbraw/zinc/68/42/75/975684275.db2.gz NDBPVXLSTWEARW-GDBMZVCRSA-N -1 0 344.238 3.620 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CN1C[C@@H](c2cccc(F)c2)OCC1(C)C ZINC000656766029 975699597 /nfs/dbraw/zinc/69/95/97/975699597.db2.gz QOIREEBJCBWJRI-KRWDZBQOSA-N -1 0 347.386 3.777 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000659119565 975716077 /nfs/dbraw/zinc/71/60/77/975716077.db2.gz CJEUVLWDHJHRAL-YOEHRIQHSA-N -1 0 325.364 3.526 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000659121192 975719998 /nfs/dbraw/zinc/71/99/98/975719998.db2.gz RDIKVEMHZDOLSA-SFHVURJKSA-N -1 0 345.826 3.795 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CC[C@](C)(CCc2ccccc2)C1 ZINC000659123047 975722905 /nfs/dbraw/zinc/72/29/05/975722905.db2.gz KWGYPPSAVADCQM-FQEVSTJZSA-N -1 0 341.407 3.771 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)Cc1ccco1 ZINC000659124494 975724965 /nfs/dbraw/zinc/72/49/65/975724965.db2.gz QHOAPDWYYWAZKR-LBPRGKRZSA-N -1 0 331.368 3.582 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1cc2cc(Cl)ccc2s1 ZINC000659127181 975726820 /nfs/dbraw/zinc/72/68/20/975726820.db2.gz ODRPHJDRAYMQRP-UHFFFAOYSA-N -1 0 325.817 3.928 20 0 EHADRM Cc1ccc([C@@H]2C[C@H]2C(=O)Nc2cccc(OCC(=O)[O-])c2)cc1C ZINC000659129799 975729279 /nfs/dbraw/zinc/72/92/79/975729279.db2.gz CQULXGTWIRNFTF-ZWKOTPCHSA-N -1 0 339.391 3.509 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@H]2CCC[C@H]2Cc2ccccc2)CCCC1 ZINC000659152095 975752770 /nfs/dbraw/zinc/75/27/70/975752770.db2.gz PTQGFKYJJIFWRK-IRXDYDNUSA-N -1 0 329.440 3.549 20 0 EHADRM O=C([O-])C1(C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)CC2(CCC2)C1 ZINC000659154125 975754216 /nfs/dbraw/zinc/75/42/16/975754216.db2.gz LWWMXINOYHQKGM-GOEBONIOSA-N -1 0 345.414 3.613 20 0 EHADRM CCOc1ccccc1[C@@H](CC)NC(=O)c1cc(C(=O)[O-])oc1C ZINC000659154774 975754338 /nfs/dbraw/zinc/75/43/38/975754338.db2.gz VEQNBZVYQWGSPI-CQSZACIVSA-N -1 0 331.368 3.566 20 0 EHADRM CC1(C)CCCC[C@@H]1CC(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC000659164949 975764281 /nfs/dbraw/zinc/76/42/81/975764281.db2.gz ANWJEWANWSPVDW-UPJWGTAASA-N -1 0 349.393 3.705 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N[C@@H]1CCCC12CCCCC2 ZINC000659168284 975767271 /nfs/dbraw/zinc/76/72/71/975767271.db2.gz UUXIRUUMAVDNES-QGZVFWFLSA-N -1 0 329.440 3.937 20 0 EHADRM CC(C)[C@H](NC(=O)CCc1ccccc1C(=O)[O-])c1ccccc1F ZINC000659180033 975774863 /nfs/dbraw/zinc/77/48/63/975774863.db2.gz RAQRLMIDGRYPCR-IBGZPJMESA-N -1 0 343.398 3.970 20 0 EHADRM CC(C)Oc1c(NC(=O)N2CC3CCC2CC3)cccc1C(=O)[O-] ZINC001591745216 975777036 /nfs/dbraw/zinc/77/70/36/975777036.db2.gz ZSAKEOHQRMAUGQ-UHFFFAOYSA-N -1 0 332.400 3.578 20 0 EHADRM Cc1ccc(CC(=O)NC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)s1 ZINC000659183469 975778415 /nfs/dbraw/zinc/77/84/15/975778415.db2.gz ADKLSPWRDJSBSM-HNNXBMFYSA-N -1 0 343.448 3.534 20 0 EHADRM Cc1cccc2c(C(=O)N3CC[C@H](C(=O)[O-])[C@@H]4CCCC[C@H]43)coc21 ZINC000659194529 975795750 /nfs/dbraw/zinc/79/57/50/975795750.db2.gz UNXIVSVFZUGRAO-JLJPHGGASA-N -1 0 341.407 3.847 20 0 EHADRM Cc1cccc2c(C(=O)N3CC[C@H](C(=O)[O-])[C@H]4CCCC[C@H]43)coc21 ZINC000659194541 975795901 /nfs/dbraw/zinc/79/59/01/975795901.db2.gz UNXIVSVFZUGRAO-UKPHBRMFSA-N -1 0 341.407 3.847 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1c2ccccc2C(C)(C)[C@@H]1C ZINC000659207897 975817711 /nfs/dbraw/zinc/81/77/11/975817711.db2.gz FWXGUABLGXOENR-LBPRGKRZSA-N -1 0 327.380 3.542 20 0 EHADRM CN(C(=O)CC(c1ccccc1)c1ccccc1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659226959 975838532 /nfs/dbraw/zinc/83/85/32/975838532.db2.gz ODXNIPNOUJQWIZ-HDICACEKSA-N -1 0 337.419 3.530 20 0 EHADRM CC[C@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccccc1F ZINC000659410110 975849182 /nfs/dbraw/zinc/84/91/82/975849182.db2.gz ORHMCMPAYUSSJX-INIZCTEOSA-N -1 0 336.407 3.563 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CCC[C@@H](C2CC2)C1 ZINC001591763121 975863528 /nfs/dbraw/zinc/86/35/28/975863528.db2.gz FUWBVTBNVDZIOH-OAHLLOKOSA-N -1 0 346.427 3.826 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000663067266 975922761 /nfs/dbraw/zinc/92/27/61/975922761.db2.gz NZYBTVQFCLCZGR-UHFFFAOYSA-N -1 0 327.380 3.834 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)c(C(=O)[O-])c1 ZINC001591779757 975942070 /nfs/dbraw/zinc/94/20/70/975942070.db2.gz AOZBJAXGPMYNAD-ZSOGYDGISA-N -1 0 331.412 3.937 20 0 EHADRM Cc1ccc(Oc2ccccc2)c(NC(=O)NCC2(C(=O)[O-])CC2)c1 ZINC000663347965 975946601 /nfs/dbraw/zinc/94/66/01/975946601.db2.gz BWKZSFBDRGCMAX-UHFFFAOYSA-N -1 0 340.379 3.774 20 0 EHADRM CC(C)Oc1ccc(NC(=O)C[C@@H]2CCC3(CCC3)O2)c(C(=O)[O-])c1 ZINC001591780978 975948207 /nfs/dbraw/zinc/94/82/07/975948207.db2.gz OUKINMCUEAJEBN-AWEZNQCLSA-N -1 0 347.411 3.602 20 0 EHADRM CC(C)Oc1ccc(NC(=O)C=C(C2CC2)C2CC2)c(C(=O)[O-])c1 ZINC001591781189 975952157 /nfs/dbraw/zinc/95/21/57/975952157.db2.gz VLCSNQLNDWPEFD-UHFFFAOYSA-N -1 0 329.396 3.857 20 0 EHADRM O=C([O-])CCCCNC(=O)N1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000666557532 975972108 /nfs/dbraw/zinc/97/21/08/975972108.db2.gz MVNRLOCOBFSEJV-QGZVFWFLSA-N -1 0 330.428 3.568 20 0 EHADRM Cc1cc(NC(=O)c2cccc([C@@H]3CCCOC3)c2)ccc1C(=O)[O-] ZINC000668274552 975980929 /nfs/dbraw/zinc/98/09/29/975980929.db2.gz GEJUHPHOHCLMNK-MRXNPFEDSA-N -1 0 339.391 3.840 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1C[C@@H](c2ccc(C)cc2)C[C@H]1C ZINC000668300543 975991518 /nfs/dbraw/zinc/99/15/18/975991518.db2.gz PZRNLJDWXDWQMJ-DOMZBBRYSA-N -1 0 327.380 3.613 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000674995816 976011178 /nfs/dbraw/zinc/01/11/78/976011178.db2.gz BRYLJGGCZLVPSH-UHFFFAOYSA-N -1 0 335.400 3.724 20 0 EHADRM Cc1cccc2cc(C(=O)N[C@H](CC(=O)[O-])c3cccs3)oc21 ZINC000675950973 976019806 /nfs/dbraw/zinc/01/98/06/976019806.db2.gz LWUYADOQOIOOQW-GFCCVEGCSA-N -1 0 329.377 3.749 20 0 EHADRM CC(C)Oc1ccccc1CNCc1ccccc1O[C@@H](C)C(=O)[O-] ZINC001591804814 976033050 /nfs/dbraw/zinc/03/30/50/976033050.db2.gz YSNTWBXZDFDBHI-HNNXBMFYSA-N -1 0 343.423 3.616 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000679102080 976043171 /nfs/dbraw/zinc/04/31/71/976043171.db2.gz UJDFOIVEYKTBMA-CABCVRRESA-N -1 0 347.455 3.538 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000679104747 976047001 /nfs/dbraw/zinc/04/70/01/976047001.db2.gz XRJAIRRFMPDWSD-LSDHHAIUSA-N -1 0 349.496 3.764 20 0 EHADRM Cc1ccc2cccc(C(=O)N3CCC[C@H](C(C)(C)C(=O)[O-])C3)c2n1 ZINC000683326339 976088860 /nfs/dbraw/zinc/08/88/60/976088860.db2.gz VEKNZLBLHZTSNG-HNNXBMFYSA-N -1 0 340.423 3.506 20 0 EHADRM Cc1ccc2[nH]c(C(=O)Nc3ccc(C[C@@H](C)C(=O)[O-])cc3)cc2c1 ZINC000683332146 976089374 /nfs/dbraw/zinc/08/93/74/976089374.db2.gz ZCAMESGBTXIOFS-CYBMUJFWSA-N -1 0 336.391 3.992 20 0 EHADRM CC(C)Sc1ccc(C(=O)OCc2ccc(C(=O)[O-])cn2)cc1 ZINC001591829128 976090434 /nfs/dbraw/zinc/09/04/34/976090434.db2.gz DTKJSTNGMHFYHQ-UHFFFAOYSA-N -1 0 331.393 3.637 20 0 EHADRM CC(C)c1cc(NC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)ccc1O ZINC001591934697 976443998 /nfs/dbraw/zinc/44/39/98/976443998.db2.gz AFEQINSLDMUDCX-OXQOHEQNSA-N -1 0 339.391 3.713 20 0 EHADRM CC(C)c1cc(Cl)ccc1NCC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001591934818 976445684 /nfs/dbraw/zinc/44/56/84/976445684.db2.gz HABHCSKJJRJHEZ-UHFFFAOYSA-N -1 0 347.802 3.607 20 0 EHADRM CC(C)c1ccc(NC(=O)c2cccc(N(C)C)c2)c(C(=O)[O-])c1 ZINC001591968597 976567079 /nfs/dbraw/zinc/56/70/79/976567079.db2.gz RDQDDYAHOFWUNF-UHFFFAOYSA-N -1 0 326.396 3.827 20 0 EHADRM CC(C)c1ccc(SCC(=O)OCc2cccc(C(=O)[O-])n2)cc1 ZINC001591974640 976591456 /nfs/dbraw/zinc/59/14/56/976591456.db2.gz ZZFNIKZPHHMKPG-UHFFFAOYSA-N -1 0 345.420 3.739 20 0 EHADRM CC(C)c1ccc2cc(C(=O)OCc3cccc(C(=O)[O-])n3)[nH]c2c1 ZINC001591980183 976592760 /nfs/dbraw/zinc/59/27/60/976592760.db2.gz CKBILYPBNNKEMR-UHFFFAOYSA-N -1 0 338.363 3.742 20 0 EHADRM CC(C)c1cccc2c1CCN(C(=O)Cc1ccc(C(=O)[O-])cc1)C2 ZINC001591994905 976637785 /nfs/dbraw/zinc/63/77/85/976637785.db2.gz WJLUUEOGMUXQGZ-UHFFFAOYSA-N -1 0 337.419 3.636 20 0 EHADRM CC(C)c1cnc(SCC(=O)c2ccc(C(=O)[O-])o2)n1C1CC1 ZINC001592002350 976648990 /nfs/dbraw/zinc/64/89/90/976648990.db2.gz BYXPINSDNQYUFB-UHFFFAOYSA-N -1 0 334.397 3.608 20 0 EHADRM CC(C)c1csc(NC(=O)NCCCCC2(C(=O)[O-])CCC2)n1 ZINC001592008063 976672355 /nfs/dbraw/zinc/67/23/55/976672355.db2.gz DINVUHHOQKXCLK-UHFFFAOYSA-N -1 0 339.461 3.813 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])cc2s1 ZINC001592031360 976740436 /nfs/dbraw/zinc/74/04/36/976740436.db2.gz CJFFOFQNTCEVIK-VXGBXAGGSA-N -1 0 347.440 3.795 20 0 EHADRM CC(C)c1ncsc1C(=O)NC[C@H](C(=O)[O-])C1CCCCCC1 ZINC001592042652 976771416 /nfs/dbraw/zinc/77/14/16/976771416.db2.gz PUQUOGBWUDCDNP-ZDUSSCGKSA-N -1 0 338.473 3.668 20 0 EHADRM CC(C)c1nnc(CN[C@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)s1 ZINC001592060586 976805201 /nfs/dbraw/zinc/80/52/01/976805201.db2.gz RLRPPDUMSLXCSA-KPZWWZAWSA-N -1 0 345.468 3.629 20 0 EHADRM CC(C)c1nsc(CN[C@H](C(=O)[O-])c2cccc3ccccc32)n1 ZINC001592105681 976879009 /nfs/dbraw/zinc/87/90/09/976879009.db2.gz GBZYDGXWCWNWHJ-INIZCTEOSA-N -1 0 341.436 3.730 20 0 EHADRM CC(C)c1ocnc1CN[C@@]1(C(=O)[O-])CC[C@H](C)c2ccccc21 ZINC001592107845 976888446 /nfs/dbraw/zinc/88/84/46/976888446.db2.gz DQHXUQNXPCCAGZ-DJJJIMSYSA-N -1 0 328.412 3.765 20 0 EHADRM CC(C)c1sc(NC(=O)Cc2coc3ccccc23)nc1C(=O)[O-] ZINC001592111922 976904435 /nfs/dbraw/zinc/90/44/35/976904435.db2.gz RXPDWZZHCDFRQV-UHFFFAOYSA-N -1 0 344.392 3.892 20 0 EHADRM CC(C)c1scnc1C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1 ZINC001592118071 976924013 /nfs/dbraw/zinc/92/40/13/976924013.db2.gz YJQXUCFXSAOVGM-UHFFFAOYSA-N -1 0 337.426 3.551 20 0 EHADRM C[C@H](/C=C\C(=O)[O-])NC(=O)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC001592202438 977218526 /nfs/dbraw/zinc/21/85/26/977218526.db2.gz CJLZTVOLWAAGPT-XBYFUUCOSA-N -1 0 347.317 3.516 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(C(=O)[O-])c(O)c1)c1ccc(F)cc1F ZINC001592261430 977502213 /nfs/dbraw/zinc/50/22/13/977502213.db2.gz CAIDLDLKNRTVBA-VIFPVBQESA-N -1 0 335.306 3.501 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C)C1CCCCC1 ZINC001592261650 977503996 /nfs/dbraw/zinc/50/39/96/977503996.db2.gz FVQIZJYEWKIGBS-CYBMUJFWSA-N -1 0 332.444 3.996 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)c1cc(Cl)sc1Cl)CC2 ZINC000711650364 977562730 /nfs/dbraw/zinc/56/27/30/977562730.db2.gz OIQAOJYDYORANV-OQPBUACISA-N -1 0 334.224 3.524 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)CCCc1ccc2c(c1)CCCC2)C1CC1 ZINC001592283004 977591130 /nfs/dbraw/zinc/59/11/30/977591130.db2.gz UDYILVFQGFQYRE-NRFANRHFSA-N -1 0 343.467 3.648 20 0 EHADRM Cc1oc2ccc(NC(=O)N[C@H](CC(F)(F)F)C(=O)[O-])cc2c1C ZINC000654798084 1014414520 /nfs/dbraw/zinc/41/45/20/1014414520.db2.gz CGKKHAQJUALCEN-LLVKDONJSA-N -1 0 344.289 3.577 20 0 EHADRM Cc1oc2ccc(NC(=O)N3C[C@@H]4CCC[C@H]4[C@@H]3C(=O)[O-])cc2c1C ZINC000654798505 1014420548 /nfs/dbraw/zinc/42/05/48/1014420548.db2.gz XTWYUWLWVCUSKL-DXCKQFNASA-N -1 0 342.395 3.767 20 0 EHADRM Cc1cccc(C(N)=O)c1Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001211489758 1014433640 /nfs/dbraw/zinc/43/36/40/1014433640.db2.gz GXNVLKFJZKOUQJ-UHFFFAOYSA-N -1 0 338.285 3.555 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC001592367837 977875409 /nfs/dbraw/zinc/87/54/09/977875409.db2.gz WSCWCHAMROGLOE-LLVKDONJSA-N -1 0 344.436 3.738 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC001592381983 977922274 /nfs/dbraw/zinc/92/22/74/977922274.db2.gz SPZGHKKELLWDIY-FVMDXXJSSA-N -1 0 327.783 3.547 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Oc1ccc(Br)c(Cl)c1 ZINC001592402068 977968062 /nfs/dbraw/zinc/96/80/62/977968062.db2.gz MJRMACZOKGEKEH-ZETCQYMHSA-N -1 0 335.581 3.509 20 0 EHADRM C[C@@H](CC(=O)[O-])SCCc1cc(Cl)c2c(c1)OCCCO2 ZINC001592422631 978037622 /nfs/dbraw/zinc/03/76/22/978037622.db2.gz UIUFTRHHKVQGOP-JTQLQIEISA-N -1 0 330.833 3.640 20 0 EHADRM C[C@@H](CC(=O)OCc1c(Cl)cccc1C(=O)[O-])c1ccncc1 ZINC001592433610 978067990 /nfs/dbraw/zinc/06/79/90/978067990.db2.gz MERYVHSMFIXAQB-NSHDSACASA-N -1 0 333.771 3.670 20 0 EHADRM CC[C@@H](NC(=S)Nc1ccc(C(=O)[O-])s1)c1cccs1 ZINC000736919864 978366501 /nfs/dbraw/zinc/36/65/01/978366501.db2.gz KTZOAZMZIMQLCI-MRVPVSSYSA-N -1 0 326.468 3.946 20 0 EHADRM CCN(C)[C@@H](C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1ccccc1 ZINC000737069595 978377843 /nfs/dbraw/zinc/37/78/43/978377843.db2.gz YWJBAERGYFQGKV-MRXNPFEDSA-N -1 0 346.814 3.670 20 0 EHADRM C[C@H](CCc1ccc(F)cc1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001592540348 978423443 /nfs/dbraw/zinc/42/34/43/978423443.db2.gz SEOINHPNQLUICM-LLVKDONJSA-N -1 0 333.334 3.870 20 0 EHADRM C[C@H](CN(C(=O)C1(c2ccccc2)CCCCCC1)C1CC1)C(=O)[O-] ZINC001592557829 978448640 /nfs/dbraw/zinc/44/86/40/978448640.db2.gz SOUVXRUAWMSKJO-MRXNPFEDSA-N -1 0 343.467 3.990 20 0 EHADRM C[C@H](CN(Cc1ccccc1)c1cc(C(C)(C)C)ncn1)C(=O)[O-] ZINC001592610270 978561701 /nfs/dbraw/zinc/56/17/01/978561701.db2.gz VKTLDJHXMPLZIP-CQSZACIVSA-N -1 0 327.428 3.501 20 0 EHADRM Cc1cccc2nc(CSc3nc4ccc(C(=O)[O-])cc4o3)cn21 ZINC000738749946 978599491 /nfs/dbraw/zinc/59/94/91/978599491.db2.gz LZIMGGJQTGFMSP-UHFFFAOYSA-N -1 0 339.376 3.774 20 0 EHADRM Cc1cnn(CCCCCSc2nc3ccc(C(=O)[O-])cc3o2)c1 ZINC000738813030 978602738 /nfs/dbraw/zinc/60/27/38/978602738.db2.gz YVYMCPLSHVMHNZ-UHFFFAOYSA-N -1 0 345.424 3.994 20 0 EHADRM C[C@@](CNC(=O)CCCCc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC001592645465 978623804 /nfs/dbraw/zinc/62/38/04/978623804.db2.gz HWYCSVJBORHIRO-NRFANRHFSA-N -1 0 339.435 3.558 20 0 EHADRM O=C([O-])[C@H](Nc1cccc(OC(F)(F)F)c1)c1ccc(F)cc1 ZINC000739511214 978643471 /nfs/dbraw/zinc/64/34/71/978643471.db2.gz DMFOTZGRGAEJII-CYBMUJFWSA-N -1 0 329.249 3.962 20 0 EHADRM CCCC[C@@H](NC(=O)c1cc(C)n(Cc2ccccc2)c1C)C(=O)[O-] ZINC000753906041 978694346 /nfs/dbraw/zinc/69/43/46/978694346.db2.gz AOOQPHWZKOOBLT-GOSISDBHSA-N -1 0 342.439 3.526 20 0 EHADRM CCc1n[n-]c(=NC(=O)N(Cc2ccccc2)CC(C)(C)C)s1 ZINC000510051602 1014517453 /nfs/dbraw/zinc/51/74/53/1014517453.db2.gz XYKAHKDVYJYUGX-UHFFFAOYSA-N -1 0 332.473 3.603 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000761421504 978710715 /nfs/dbraw/zinc/71/07/15/978710715.db2.gz RMGALQDFOPBASK-UHFFFAOYSA-N -1 0 345.782 3.640 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)[C@H](C)Cc2ccc(F)cc2)cc1)C(=O)[O-] ZINC000762182152 978718066 /nfs/dbraw/zinc/71/80/66/978718066.db2.gz DARDOCHYZBZPDN-ZIAGYGMSSA-N -1 0 343.398 3.906 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)/C=C\c2ccccc2)c2ccccc12 ZINC000767068534 978732523 /nfs/dbraw/zinc/73/25/23/978732523.db2.gz LZVOPINPBNOYPD-RAXLEYEMSA-N -1 0 347.370 3.955 20 0 EHADRM CC(C)(C)c1ncc(/C=C\C(=O)Nc2cccc(C(=O)[O-])c2)s1 ZINC000767082772 978733818 /nfs/dbraw/zinc/73/38/18/978733818.db2.gz VKEKDMNRKYHLQL-FPLPWBNLSA-N -1 0 330.409 3.791 20 0 EHADRM Cc1ccc(/C=C/S(=O)(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC000776502207 978750687 /nfs/dbraw/zinc/75/06/87/978750687.db2.gz AEFMLXUVYNVSIV-CMDGGOBGSA-N -1 0 345.420 3.723 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)NCCSc2ccccc2)c1 ZINC000811813818 978856756 /nfs/dbraw/zinc/85/67/56/978856756.db2.gz IABWWFDGCUBQFU-UHFFFAOYSA-N -1 0 335.812 3.560 20 0 EHADRM Cc1ccc(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)c(Cl)c1 ZINC000818793919 978923053 /nfs/dbraw/zinc/92/30/53/978923053.db2.gz LMDNRQGGQIZIMQ-UHFFFAOYSA-N -1 0 342.782 3.940 20 0 EHADRM CC[C@H]1CCN(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)C1 ZINC000829125677 978993865 /nfs/dbraw/zinc/99/38/65/978993865.db2.gz QBSNFWOIPYNHNC-ZDUSSCGKSA-N -1 0 336.457 3.658 20 0 EHADRM CCO[C@@H](CCNC(=O)Nc1cccc(NC(=O)[O-])c1)C1CCCC1 ZINC000829919117 979010101 /nfs/dbraw/zinc/01/01/01/979010101.db2.gz VYBYOKMYIRXINP-INIZCTEOSA-N -1 0 349.431 3.883 20 0 EHADRM CCc1ccc(CC(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000830245208 979015193 /nfs/dbraw/zinc/01/51/93/979015193.db2.gz SJUHFBCMFQPHKW-QGZVFWFLSA-N -1 0 332.783 3.814 20 0 EHADRM Cc1cc(NC(=O)N2CC[C@](C)(c3ccccc3)C2)ccc1C(=O)[O-] ZINC000832894061 979053085 /nfs/dbraw/zinc/05/30/85/979053085.db2.gz BIUVCVSPOFATPB-FQEVSTJZSA-N -1 0 338.407 3.889 20 0 EHADRM Cc1ncc(C(=O)O[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)s1 ZINC000833007965 979067243 /nfs/dbraw/zinc/06/72/43/979067243.db2.gz INQXRXKHIFETLC-LLVKDONJSA-N -1 0 346.191 3.741 20 0 EHADRM CC[C@H](C)n1nc(C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)cc1C ZINC001595021658 979098238 /nfs/dbraw/zinc/09/82/38/979098238.db2.gz BQSAFRMAEXHLRT-JQWIXIFHSA-N -1 0 334.372 3.680 20 0 EHADRM CC[C@@H](C)n1ncc(NC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)c1C1CC1 ZINC001595027372 979142605 /nfs/dbraw/zinc/14/26/05/979142605.db2.gz TYUUBYJTUOPLFW-SECBINFHSA-N -1 0 344.415 3.627 20 0 EHADRM CC[C@@H](CC(=O)N(CC(C)C)C(C)(C)C(=O)[O-])c1ccc(OC)cc1 ZINC001595029863 979162432 /nfs/dbraw/zinc/16/24/32/979162432.db2.gz IJHKFKDGBKGHNX-HNNXBMFYSA-N -1 0 349.471 3.927 20 0 EHADRM CC[C@H](CC(=O)NC[C@@H](CC1CCCC1)C(=O)[O-])c1ccccc1 ZINC001595033004 979172149 /nfs/dbraw/zinc/17/21/49/979172149.db2.gz ADFGDCCUKXLHNF-SJLPKXTDSA-N -1 0 331.456 3.968 20 0 EHADRM CC[C@H](CC(=O)N[C@](C)(Cc1ccc(F)cc1)C(=O)[O-])C(C)(C)C ZINC001595033273 979174278 /nfs/dbraw/zinc/17/42/78/979174278.db2.gz HWPXUDUJQRPRPB-AUUYWEPGSA-N -1 0 337.435 3.790 20 0 EHADRM CC1(CCNC(=O)N=c2[n-]nc(SCc3ccccc3)s2)CC1 ZINC000471117677 1014555484 /nfs/dbraw/zinc/55/54/84/1014555484.db2.gz WTCPOBHPDIHWOO-UHFFFAOYSA-N -1 0 348.497 3.564 20 0 EHADRM CC[C@H](CC(=O)Nc1cc(C(=O)[O-])cnc1Cl)c1ccccc1 ZINC001595036570 979197039 /nfs/dbraw/zinc/19/70/39/979197039.db2.gz FYDIOZJXISQZOV-LLVKDONJSA-N -1 0 332.787 3.956 20 0 EHADRM CC[C@@H](CC(F)(F)F)Nc1ncc(C(=O)[O-])cc1C(F)(F)F ZINC001595041922 979230090 /nfs/dbraw/zinc/23/00/90/979230090.db2.gz GQFFEXNEVQGQMB-ZETCQYMHSA-N -1 0 330.228 3.942 20 0 EHADRM CCC(CC)(CC(=O)[O-])C(=O)OCC(=O)c1oc2ccccc2c1C ZINC001595048101 979264495 /nfs/dbraw/zinc/26/44/95/979264495.db2.gz VBLNYTDOOSYJJL-UHFFFAOYSA-N -1 0 346.379 3.748 20 0 EHADRM O=C([O-])c1cccc(CNc2ccc(OC[C@@H]3CCCO3)cc2)c1 ZINC000840994326 979291346 /nfs/dbraw/zinc/29/13/46/979291346.db2.gz IANLRYCUFASLHK-SFHVURJKSA-N -1 0 327.380 3.555 20 0 EHADRM CCC(CC)(CC)NC(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC001595060204 979315044 /nfs/dbraw/zinc/31/50/44/979315044.db2.gz GVPSPBMBTCLRRQ-NSHDSACASA-N -1 0 340.395 3.768 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cc(C)c(C(C)=O)c(C)c1)C(=O)[O-] ZINC001595070402 979338559 /nfs/dbraw/zinc/33/85/59/979338559.db2.gz RDNXLRBBIWZVJN-UHFFFAOYSA-N -1 0 334.416 3.519 20 0 EHADRM C[C@H](COCC(=O)Oc1ccc(C(=O)[O-])cc1Cl)c1ccccc1 ZINC001592770406 979382101 /nfs/dbraw/zinc/38/21/01/979382101.db2.gz USDHVWQRTSTVAK-GFCCVEGCSA-N -1 0 348.782 3.764 20 0 EHADRM CCC(CC)(NC(=O)c1cc(OCc2ccccc2)cs1)C(=O)[O-] ZINC001595098259 979401762 /nfs/dbraw/zinc/40/17/62/979401762.db2.gz ZEKFCMPACPTUAO-UHFFFAOYSA-N -1 0 347.436 3.700 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2sc3ccccc3c2Cl)C[C@H]1C1CC1 ZINC000846138872 979414100 /nfs/dbraw/zinc/41/41/00/979414100.db2.gz VJVKAFXJOGVZLN-NWDGAFQWSA-N -1 0 349.839 3.738 20 0 EHADRM O=C([O-])Cc1ccccc1CN1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000846251097 979425809 /nfs/dbraw/zinc/42/58/09/979425809.db2.gz BSNLSKVDPVPJCP-GOSISDBHSA-N -1 0 345.826 3.541 20 0 EHADRM CCC(CC)[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC001595106218 979429664 /nfs/dbraw/zinc/42/96/64/979429664.db2.gz YTDLGXYEOMVCNI-ZUZCIYMTSA-N -1 0 341.835 3.663 20 0 EHADRM CCC(CC)CCCN(C)S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC001595109845 979448462 /nfs/dbraw/zinc/44/84/62/979448462.db2.gz NZTKXCMGJLVARM-UHFFFAOYSA-N -1 0 341.473 3.530 20 0 EHADRM CCC(CC)CCCN(C)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001595109880 979448478 /nfs/dbraw/zinc/44/84/78/979448478.db2.gz QAZRQPRQGLQKCW-UHFFFAOYSA-N -1 0 336.432 3.830 20 0 EHADRM CCC(CC)CC(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001595109921 979449246 /nfs/dbraw/zinc/44/92/46/979449246.db2.gz SYAJGWJPIZPJTF-UHFFFAOYSA-N -1 0 328.206 3.912 20 0 EHADRM CCCn1nc(C)c(C(=O)Nc2cc(F)cc(Cl)c2[O-])c1C ZINC000274702191 1014572578 /nfs/dbraw/zinc/57/25/78/1014572578.db2.gz NYKDPOXNVOBZKE-UHFFFAOYSA-N -1 0 325.771 3.660 20 0 EHADRM CCC(CC)N(C(=O)Nc1cc(C(=O)[O-])cnc1Cl)C1CC1 ZINC001595116470 979476347 /nfs/dbraw/zinc/47/63/47/979476347.db2.gz VCYFMDFTVMPWRF-UHFFFAOYSA-N -1 0 325.796 3.618 20 0 EHADRM CCC(CC)n1nc(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)cc1C ZINC001595124646 979506413 /nfs/dbraw/zinc/50/64/13/979506413.db2.gz RHGUMHFPQFOVRD-UHFFFAOYSA-N -1 0 340.383 3.968 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)c2ccc(/C=C/C(=O)[O-])o2)c1C ZINC000851595598 979509458 /nfs/dbraw/zinc/50/94/58/979509458.db2.gz OSSWAOWXRYCVHF-QXLXQBSBSA-N -1 0 339.391 3.972 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001595125740 979510601 /nfs/dbraw/zinc/51/06/01/979510601.db2.gz HRXCYMVYWJROTR-CABCVRRESA-N -1 0 347.459 3.529 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)NC[C@@H](Oc1ccccc1)C(=O)[O-] ZINC001595126738 979520842 /nfs/dbraw/zinc/52/08/42/979520842.db2.gz ZOJRJECKWHBLQN-SJLPKXTDSA-N -1 0 347.455 3.631 20 0 EHADRM CC(C)[C@H](CNC(=O)c1ccc(/C=C\C(=O)[O-])o1)Cc1ccccc1 ZINC000851606634 979531817 /nfs/dbraw/zinc/53/18/17/979531817.db2.gz VKDRZTLHJDKRJY-SLWQEBJJSA-N -1 0 341.407 3.622 20 0 EHADRM C[C@@H](CSCc1ccccc1)C(=O)Nc1cccc(C(=O)[O-])c1O ZINC001592826150 979548510 /nfs/dbraw/zinc/54/85/10/979548510.db2.gz UKHTXLZZVSTAJG-LBPRGKRZSA-N -1 0 345.420 3.598 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1Cl)Nc1cncc(C(=O)[O-])n1 ZINC001592840406 979606340 /nfs/dbraw/zinc/60/63/40/979606340.db2.gz ZXACPEDDMMSMHE-QMMMGPOBSA-N -1 0 326.183 3.525 20 0 EHADRM CC[C@@H](CNC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC001595148196 979631562 /nfs/dbraw/zinc/63/15/62/979631562.db2.gz XTIIYIWSZDEQRJ-RDJZCZTQSA-N -1 0 346.471 3.713 20 0 EHADRM Cc1ccc(C(=O)NCCCO[C@@H](C)c2ccccc2)cc1C(=O)[O-] ZINC000864101460 979684928 /nfs/dbraw/zinc/68/49/28/979684928.db2.gz ARRSHEFHUFYDGK-HNNXBMFYSA-N -1 0 341.407 3.591 20 0 EHADRM Cc1ccc([C@H](NC(=O)/C=C/c2cc(C(=O)[O-])co2)C2CC2)cc1 ZINC000864101847 979685821 /nfs/dbraw/zinc/68/58/21/979685821.db2.gz RQYPGPHGAHNFTL-BLGFXRMMSA-N -1 0 325.364 3.567 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)NC[C@H]2C[C@H]2C2CCCC2)cc1)C(=O)[O-] ZINC001592865683 979708643 /nfs/dbraw/zinc/70/86/43/979708643.db2.gz FXZLHDAYQNJABB-QBIMZIAESA-N -1 0 344.455 3.898 20 0 EHADRM CC(C)(CC(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccc(F)cc1 ZINC000864121637 979718022 /nfs/dbraw/zinc/71/80/22/979718022.db2.gz LBDJTOMYNAXUAO-UHFFFAOYSA-N -1 0 345.370 3.596 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2cc[nH]c2C2CCC2)cc1)C(=O)[O-] ZINC001592871894 979725565 /nfs/dbraw/zinc/72/55/65/979725565.db2.gz BMPIXHQPDAFBLP-LBPRGKRZSA-N -1 0 326.396 3.798 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12 ZINC000864133182 979735333 /nfs/dbraw/zinc/73/53/33/979735333.db2.gz ZIWYYCBVELUVIB-BMGDILEWSA-N -1 0 349.858 3.767 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2c(F)cc(F)cc2F)cc1)C(=O)[O-] ZINC001592873782 979737391 /nfs/dbraw/zinc/73/73/91/979737391.db2.gz ZRPVBBHZKAJPBW-SECBINFHSA-N -1 0 337.297 3.619 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)NC/C=C/c2ccccc2)cc1)C(=O)[O-] ZINC001592874323 979739384 /nfs/dbraw/zinc/73/93/84/979739384.db2.gz ZFOKLBYVBUCFSI-PXTSUWAFSA-N -1 0 338.407 3.785 20 0 EHADRM C[C@@H](Cc1ccc(NC[C@H](O)c2ccccc2Cl)cc1)C(=O)[O-] ZINC001592877993 979747795 /nfs/dbraw/zinc/74/77/95/979747795.db2.gz TUQQQCKDFRDUMT-SJCJKPOMSA-N -1 0 333.815 3.749 20 0 EHADRM COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000471122698 1014599962 /nfs/dbraw/zinc/59/99/62/1014599962.db2.gz ZBCKDGCUOYZXEE-UHFFFAOYSA-N -1 0 345.342 3.530 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001592885805 979771748 /nfs/dbraw/zinc/77/17/48/979771748.db2.gz SRSWLDHQCWYOKT-VIFPVBQESA-N -1 0 337.297 3.619 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC001592891055 979780501 /nfs/dbraw/zinc/78/05/01/979780501.db2.gz LWXUKXROGRGJLY-BZNIZROVSA-N -1 0 349.789 3.600 20 0 EHADRM CCC(CC)(C(=O)N[C@H]1CC=C(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000864164200 979786091 /nfs/dbraw/zinc/78/60/91/979786091.db2.gz LNSMVVKZFYKFFF-HNNXBMFYSA-N -1 0 335.831 3.687 20 0 EHADRM CC1CCC(=CC(=O)N2CCC(c3ncc(C(=O)[O-])s3)CC2)CC1 ZINC000864169265 979795997 /nfs/dbraw/zinc/79/59/97/979795997.db2.gz PMSXOUQULZANLE-UHFFFAOYSA-N -1 0 348.468 3.684 20 0 EHADRM COc1ccc(C(C)(C)NC(=O)c2ccc(C)c(C(=O)[O-])c2)cc1F ZINC000864172409 979803390 /nfs/dbraw/zinc/80/33/90/979803390.db2.gz PFFIZYVGLCDCIC-UHFFFAOYSA-N -1 0 345.370 3.506 20 0 EHADRM Cc1cc2[nH]c(C(=O)N3CC[C@H](C(=O)[O-])[C@@H]4CCC[C@H]43)cc2c(C)c1 ZINC000864174158 979810334 /nfs/dbraw/zinc/81/03/34/979810334.db2.gz DJJXRQYWCLFCIA-SUNYJGFJSA-N -1 0 340.423 3.500 20 0 EHADRM Cc1nc2ccccc2cc1C(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC000864175231 979814279 /nfs/dbraw/zinc/81/42/79/979814279.db2.gz ZPKSVGRQRLRIMH-KRWDZBQOSA-N -1 0 340.423 3.554 20 0 EHADRM CC(C)n1ncc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c1Cl ZINC000864188453 979836426 /nfs/dbraw/zinc/83/64/26/979836426.db2.gz FSKXJYRZDJASKC-QWHCGFSZSA-N -1 0 347.802 3.558 20 0 EHADRM O=C([O-])c1coc(CNC(=O)CC2CCC(c3ccccc3)CC2)c1 ZINC000864192973 979851034 /nfs/dbraw/zinc/85/10/34/979851034.db2.gz JPVXJOBECPATND-UHFFFAOYSA-N -1 0 341.407 3.958 20 0 EHADRM C[C@H](Cc1cncc2ccccc21)C(=O)O[C@H](CC(C)(C)C)C(=O)[O-] ZINC001592909072 979870621 /nfs/dbraw/zinc/87/06/21/979870621.db2.gz OVXPTVZIZAXMON-CXAGYDPISA-N -1 0 343.423 3.846 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)[C@H](C)Cc2ccccc2F)c1 ZINC000864228917 979922310 /nfs/dbraw/zinc/92/23/10/979922310.db2.gz GTXHHISRTLOABZ-RDTXWAMCSA-N -1 0 343.398 3.645 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC001595210882 979985798 /nfs/dbraw/zinc/98/57/98/979985798.db2.gz KJUAECQXEHCTCW-QGZVFWFLSA-N -1 0 326.392 3.796 20 0 EHADRM CC(F)(F)c1ccc(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)cc1 ZINC001592943125 980012561 /nfs/dbraw/zinc/01/25/61/980012561.db2.gz BXNBTCIGZFBBFT-UHFFFAOYSA-N -1 0 345.345 3.695 20 0 EHADRM CC(F)(F)c1ccc(C(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC001592943677 980015558 /nfs/dbraw/zinc/01/55/58/980015558.db2.gz NEVPNSLDCCTNRD-UHFFFAOYSA-N -1 0 325.355 3.515 20 0 EHADRM CC(F)(F)c1ccccc1NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001592944069 980019177 /nfs/dbraw/zinc/01/91/77/980019177.db2.gz IFZMWNHSPTYCSY-GFCCVEGCSA-N -1 0 338.354 3.517 20 0 EHADRM Cc1ccc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)cc1C(=O)[O-] ZINC000872157812 980040064 /nfs/dbraw/zinc/04/00/64/980040064.db2.gz USIKAJDBMREKFP-SFHVURJKSA-N -1 0 345.826 3.920 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])Cc1nc2c(o1)CCCC2 ZINC000872162428 980052930 /nfs/dbraw/zinc/05/29/30/980052930.db2.gz QNMZTDAESNAFQJ-INIZCTEOSA-N -1 0 328.412 3.591 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1sccc1C(F)F)c1ccccc1 ZINC000872711794 980091507 /nfs/dbraw/zinc/09/15/07/980091507.db2.gz BJHOMOJSUMQRLE-SKDRFNHKSA-N -1 0 339.363 3.878 20 0 EHADRM CC[C@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1cc(F)ccc1F ZINC001595237392 980144834 /nfs/dbraw/zinc/14/48/34/980144834.db2.gz FLIMPEIVVYDVNN-PODYEWJSSA-N -1 0 335.306 3.537 20 0 EHADRM C[C@H](NC(=O)C(C)(C)C1CCCC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001592990049 980176829 /nfs/dbraw/zinc/17/68/29/980176829.db2.gz MXKQBFLKLFIHCD-WMLDXEAASA-N -1 0 331.456 3.651 20 0 EHADRM CC[C@H](NC(=O)Nc1cc(C(=O)[O-])cc2cccnc21)[C@@H]1CC1(C)C ZINC001595252615 980222141 /nfs/dbraw/zinc/22/21/41/980222141.db2.gz MVEHJQCBQHSDNQ-KBPBESRZSA-N -1 0 341.411 3.879 20 0 EHADRM CC[C@@H](NC(=O)Nc1cccc(CC(=O)[O-])n1)c1cc(C)ccc1C ZINC001595258214 980253176 /nfs/dbraw/zinc/25/31/76/980253176.db2.gz MYCJFUAUUQROLC-MRXNPFEDSA-N -1 0 341.411 3.598 20 0 EHADRM O=C([O-])/C=C/c1ccc(CN2CCO[C@@H](c3cccc(Cl)c3)C2)o1 ZINC000901450625 980293128 /nfs/dbraw/zinc/29/31/28/980293128.db2.gz WODAUXWFLCAMEY-DKRLNXSXSA-N -1 0 347.798 3.604 20 0 EHADRM C[C@@H](NC(=O)N(C)[C@@H](C)C1CCCCC1)c1ncc(C(=O)[O-])s1 ZINC001593050316 980342212 /nfs/dbraw/zinc/34/22/12/980342212.db2.gz DGXWOHQZRPGUAU-MNOVXSKESA-N -1 0 339.461 3.513 20 0 EHADRM CC[C@H](Nc1cccc([C@@H]2CNC(=O)C2)c1)c1ccc(C(=O)[O-])cc1 ZINC001595318587 980501810 /nfs/dbraw/zinc/50/18/10/980501810.db2.gz OVAZIQIDFRRASH-WMZOPIPTSA-N -1 0 338.407 3.552 20 0 EHADRM CC[C@@H](OC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC001595336564 980594625 /nfs/dbraw/zinc/59/46/25/980594625.db2.gz JONFWMBHPBBXLB-GOSISDBHSA-N -1 0 340.375 3.723 20 0 EHADRM Cc1nc(CC(C)C)c(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)s1 ZINC000901879023 980594654 /nfs/dbraw/zinc/59/46/54/980594654.db2.gz QGWVXYLBKWCMLW-FNORWQNLSA-N -1 0 334.397 3.593 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)N1CCCCc2cc(C(=O)[O-])ccc21 ZINC001595354775 980695617 /nfs/dbraw/zinc/69/56/17/980695617.db2.gz DNVFTNQUFOZHNF-SFHVURJKSA-N -1 0 345.439 3.792 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001595354912 980696805 /nfs/dbraw/zinc/69/68/05/980696805.db2.gz HWHAGJDBMXGMHZ-IYOUNJFTSA-N -1 0 345.439 3.648 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001595354961 980697553 /nfs/dbraw/zinc/69/75/53/980697553.db2.gz JMKBPQGYRWEEBV-XPKDYRNWSA-N -1 0 349.427 3.706 20 0 EHADRM O=C([O-])[C@@H]1CCCCCN1Cc1csc(COc2ccccc2)n1 ZINC000902035878 980707454 /nfs/dbraw/zinc/70/74/54/980707454.db2.gz SAJZCXLFZKOJGT-INIZCTEOSA-N -1 0 346.452 3.551 20 0 EHADRM CC[C@H](OCCSCc1cnc(C(=O)[O-])cn1)c1ccccc1 ZINC001595357337 980721613 /nfs/dbraw/zinc/72/16/13/980721613.db2.gz ZVBHBZQIZRRXCK-INIZCTEOSA-N -1 0 332.425 3.576 20 0 EHADRM CCOc1cccc2cc([C@@H](C)NCc3cc(C(=O)[O-])co3)oc21 ZINC000902081442 980723493 /nfs/dbraw/zinc/72/34/93/980723493.db2.gz WSTNKTRFKJBJHU-LLVKDONJSA-N -1 0 329.352 3.974 20 0 EHADRM CC[C@@H](SCc1cccc(C(=O)[O-])c1)C(=O)NCc1ccccc1 ZINC001595358116 980729076 /nfs/dbraw/zinc/72/90/76/980729076.db2.gz AXWHVRLBCIBVHN-QGZVFWFLSA-N -1 0 343.448 3.713 20 0 EHADRM C[C@H]1[C@H](Nc2cccc(OC[C@@H]3CCCO3)c2)CC[C@H]1CC(=O)[O-] ZINC000902105152 980736519 /nfs/dbraw/zinc/73/65/19/980736519.db2.gz GZBDGQDYAHYWFE-IDCJVQTKSA-N -1 0 333.428 3.546 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001595358862 980736531 /nfs/dbraw/zinc/73/65/31/980736531.db2.gz LWFFMZLMSBSZNF-MRXNPFEDSA-N -1 0 347.411 3.962 20 0 EHADRM CC[C@H](c1ccc(F)cc1)[S@@](=O)CCc1ccccc1C(=O)[O-] ZINC001595359623 980742935 /nfs/dbraw/zinc/74/29/35/980742935.db2.gz FSNTVXILBAVDEE-HXOBKFHXSA-N -1 0 334.412 3.966 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cccc2cnccc21 ZINC001595360073 980748337 /nfs/dbraw/zinc/74/83/37/980748337.db2.gz CBDNACYMLLXDQA-IBGZPJMESA-N -1 0 348.402 3.913 20 0 EHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000902153065 980760076 /nfs/dbraw/zinc/76/00/76/980760076.db2.gz CFSZQPSGMNWRMS-RKVPGOIHSA-N -1 0 344.455 3.614 20 0 EHADRM C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000902153067 980760271 /nfs/dbraw/zinc/76/02/71/980760271.db2.gz CFSZQPSGMNWRMS-VKJFTORMSA-N -1 0 344.455 3.614 20 0 EHADRM C[C@H]1CN(C(=O)c2c(Cl)cccc2C(F)(F)F)CC[C@H]1C(=O)[O-] ZINC000902162016 980762802 /nfs/dbraw/zinc/76/28/02/980762802.db2.gz QRZKIWCKEGNIEM-DTWKUNHWSA-N -1 0 349.736 3.542 20 0 EHADRM CCCN(Cc1ccc(C(=O)[O-])c(Br)c1)CC(F)F ZINC000902203664 980782082 /nfs/dbraw/zinc/78/20/82/980782082.db2.gz IWJOLWZZIAQQNK-UHFFFAOYSA-N -1 0 336.176 3.624 20 0 EHADRM Cc1c(NCc2cccc(C(=O)[O-])n2)cccc1OCC(F)(F)F ZINC000902214261 980785361 /nfs/dbraw/zinc/78/53/61/980785361.db2.gz JRCITOQGODIFSE-UHFFFAOYSA-N -1 0 340.301 3.641 20 0 EHADRM COc1ccc2oc([C@H](C)NCc3cc(C(=O)[O-])co3)c(C)c2c1 ZINC000902224924 980790369 /nfs/dbraw/zinc/79/03/69/980790369.db2.gz ARTDVHBGRQJVSH-NSHDSACASA-N -1 0 329.352 3.892 20 0 EHADRM CC(C)(CCNc1cccc(C[S@](=O)c2ccccc2)c1)C(=O)[O-] ZINC000902268814 980808962 /nfs/dbraw/zinc/80/89/62/980808962.db2.gz IFXDLDFATZDTAU-DEOSSOPVSA-N -1 0 345.464 3.907 20 0 EHADRM C[S@](=O)Cc1cccc(N[C@@H]2CCC[C@@H](CCCC(=O)[O-])C2)c1 ZINC000902267717 980808992 /nfs/dbraw/zinc/80/89/92/980808992.db2.gz HYSRGNVFYLNBGJ-UIMAMFOWSA-N -1 0 337.485 3.791 20 0 EHADRM C[S@](=O)Cc1cccc(N[C@H]2CCC[C@H](CCCC(=O)[O-])C2)c1 ZINC000902267718 980809131 /nfs/dbraw/zinc/80/91/31/980809131.db2.gz HYSRGNVFYLNBGJ-WREIHNQOSA-N -1 0 337.485 3.791 20 0 EHADRM CCC1(C(=O)OCc2nc(C)c(C(=O)[O-])s2)CCC(F)(F)CC1 ZINC001595369359 980838177 /nfs/dbraw/zinc/83/81/77/980838177.db2.gz YBTDIGNXIVYRAI-UHFFFAOYSA-N -1 0 347.383 3.799 20 0 EHADRM O=C([O-])/C=C/c1ccc(CNc2cccc(C3CCOCC3)c2)o1 ZINC000902396102 980869539 /nfs/dbraw/zinc/86/95/39/980869539.db2.gz HHGUZHBQBHHMOU-VOTSOKGWSA-N -1 0 327.380 3.884 20 0 EHADRM CCC1(CC)CCC(NC(=O)NCc2cc(C)c(C(=O)[O-])o2)CC1 ZINC001595374310 980882377 /nfs/dbraw/zinc/88/23/77/980882377.db2.gz BVZPAXJQOPMLHI-UHFFFAOYSA-N -1 0 336.432 3.834 20 0 EHADRM O=C([O-])[C@@H]1CC(F)(F)CN1Cc1cc(Cl)cc2ccccc21 ZINC000903614883 980993916 /nfs/dbraw/zinc/99/39/16/980993916.db2.gz LVHQPMFABMYPOY-AWEZNQCLSA-N -1 0 325.742 3.787 20 0 EHADRM O=C([O-])c1cccc(CN2CCS[C@@H](C(F)(F)F)C2)c1Cl ZINC000903629386 981005275 /nfs/dbraw/zinc/00/52/75/981005275.db2.gz DERWANIFGMDZRX-SNVBAGLBSA-N -1 0 339.766 3.518 20 0 EHADRM CC[C@H]1C[C@H](CC(=O)Oc2cc(Cl)ccc2C(=O)[O-])CCO1 ZINC001595412263 981009855 /nfs/dbraw/zinc/00/98/55/981009855.db2.gz BIWYBTFUSSPLCB-PWSUYJOCSA-N -1 0 326.776 3.539 20 0 EHADRM CCC1CCC(NC(=O)C[C@@H](C)c2ccccc2F)(C(=O)[O-])CC1 ZINC001595420622 981037225 /nfs/dbraw/zinc/03/72/25/981037225.db2.gz DKTJHQOJYYMTRK-VFPJAPOESA-N -1 0 335.419 3.859 20 0 EHADRM CCC1CCC(NC(=O)[C@H]2CCc3c2cccc3Cl)(C(=O)[O-])CC1 ZINC001595421058 981040727 /nfs/dbraw/zinc/04/07/27/981040727.db2.gz ZBJUYPWHOYQRCC-IHBYNMNLSA-N -1 0 349.858 3.910 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2OCC[N@H+]1CCCc1ccccc1Cl ZINC000903931100 981052350 /nfs/dbraw/zinc/05/23/50/981052350.db2.gz OWUIPCKFZCCWAY-SFHVURJKSA-N -1 0 345.826 3.793 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2OCC[N@H+]1CCCc1ccccc1Cl ZINC000903931099 981052462 /nfs/dbraw/zinc/05/24/62/981052462.db2.gz OWUIPCKFZCCWAY-GOSISDBHSA-N -1 0 345.826 3.793 20 0 EHADRM COCCCC[C@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000905115708 981089248 /nfs/dbraw/zinc/08/92/48/981089248.db2.gz LCPUDVZWMFKSAD-SQNIBIBYSA-N -1 0 347.455 3.552 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1OCCOC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001595447666 981095921 /nfs/dbraw/zinc/09/59/21/981095921.db2.gz IPUMETFCIOUMKU-OMGLFLRBSA-N -1 0 338.444 3.550 20 0 EHADRM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1cc(C(=O)[O-])sc1C ZINC001595447686 981096390 /nfs/dbraw/zinc/09/63/90/981096390.db2.gz IVFRFDUOWGQCOV-WCQYABFASA-N -1 0 325.430 3.679 20 0 EHADRM CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1cc(C(=O)[O-])sc1C ZINC001595447682 981096625 /nfs/dbraw/zinc/09/66/25/981096625.db2.gz IVFRFDUOWGQCOV-AAEUAGOBSA-N -1 0 325.430 3.679 20 0 EHADRM CC[C@@H]1CCC[C@@H]1NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001595451708 981109453 /nfs/dbraw/zinc/10/94/53/981109453.db2.gz GKHXKWPDTHPNJN-VNQPRFMTSA-N -1 0 332.444 3.716 20 0 EHADRM Cc1cccnc1[C@@H](NCc1ccc(/C=C\C(=O)[O-])o1)C(C)(C)C ZINC000905798768 981156942 /nfs/dbraw/zinc/15/69/42/981156942.db2.gz OFROKAQTIXKAHR-HJCTWCACSA-N -1 0 328.412 3.958 20 0 EHADRM COc1c(NC(=O)CC(C)(C)CC(F)(F)F)cccc1C(=O)[O-] ZINC000906500072 981169893 /nfs/dbraw/zinc/16/98/93/981169893.db2.gz KWRJPMBRAMRODY-UHFFFAOYSA-N -1 0 333.306 3.701 20 0 EHADRM CC[C@@H]1CCc2nc(NC(=O)c3cc(C)c(C(=O)[O-])o3)sc2C1 ZINC001595472305 981178195 /nfs/dbraw/zinc/17/81/95/981178195.db2.gz UCVYUAXMUMHIEZ-SECBINFHSA-N -1 0 334.397 3.510 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)c2ccccc2C2CCC2)C(=O)[O-])cc1 ZINC000907595062 981198040 /nfs/dbraw/zinc/19/80/40/981198040.db2.gz ZUIDJAHTVAKVFL-LJQANCHMSA-N -1 0 337.419 3.861 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2ccc(C3CCC3)cn2)C[C@@H]1c1ccccc1 ZINC000907765869 981216686 /nfs/dbraw/zinc/21/66/86/981216686.db2.gz HXWKNIVDMHMRHP-UZLBHIALSA-N -1 0 336.391 3.546 20 0 EHADRM C[C@H](C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl)N1CC(C)C1 ZINC000654979693 1014716225 /nfs/dbraw/zinc/71/62/25/1014716225.db2.gz KCPOPIFCOIRHOJ-SSDOTTSWSA-N -1 0 337.634 3.631 20 0 EHADRM CC[C@@H]1CN(Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)C[C@@H](C)O1 ZINC001595489886 981240018 /nfs/dbraw/zinc/24/00/18/981240018.db2.gz WLGMCEKLENGFQU-CZUORRHYSA-N -1 0 329.396 3.644 20 0 EHADRM O=C([O-])c1ccc(Nc2cccc3c2C(=O)OC3)cc1C(F)(F)F ZINC001211492253 1014716922 /nfs/dbraw/zinc/71/69/22/1014716922.db2.gz PSPSLGZFYGJBFP-UHFFFAOYSA-N -1 0 337.253 3.818 20 0 EHADRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)CCCc3ccc(C4CC4)cc3)[C@@H]2C1 ZINC000907948738 981244107 /nfs/dbraw/zinc/24/41/07/981244107.db2.gz ODUZWXWZFSYBAX-HCXYKTFWSA-N -1 0 341.451 3.502 20 0 EHADRM CC[C@@H]1c2ccccc2CN1C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001595503460 981276512 /nfs/dbraw/zinc/27/65/12/981276512.db2.gz AUCBAYCHPBQBOF-CQSZACIVSA-N -1 0 345.786 3.932 20 0 EHADRM CC[C@@H]1c2ccccc2CN1C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001595503838 981277154 /nfs/dbraw/zinc/27/71/54/981277154.db2.gz DLCHMLWKGRDAGN-GOSISDBHSA-N -1 0 348.402 3.902 20 0 EHADRM CC(C)c1ccsc1C(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1 ZINC000908226565 981283583 /nfs/dbraw/zinc/28/35/83/981283583.db2.gz GLKAGPPBZYGFDA-CQSZACIVSA-N -1 0 331.437 3.687 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1 ZINC000908227526 981284277 /nfs/dbraw/zinc/28/42/77/981284277.db2.gz DGSVEXPNLCXKST-OAHLLOKOSA-N -1 0 329.396 3.527 20 0 EHADRM CSc1ccsc1C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908340949 981305240 /nfs/dbraw/zinc/30/52/40/981305240.db2.gz HPBVQDVISYAPSE-UHFFFAOYSA-N -1 0 327.471 3.625 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)Cc2c(F)cccc2Cl)CCC1 ZINC000908355025 981307845 /nfs/dbraw/zinc/30/78/45/981307845.db2.gz QZGHIPMWTFMKIZ-UHFFFAOYSA-N -1 0 341.810 3.563 20 0 EHADRM Cc1ccsc1CCCC(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000908642303 981331618 /nfs/dbraw/zinc/33/16/18/981331618.db2.gz QSZVKSSDZMEJHC-GFCCVEGCSA-N -1 0 337.466 3.773 20 0 EHADRM Cc1ccsc1CCCC(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000908642305 981331900 /nfs/dbraw/zinc/33/19/00/981331900.db2.gz QSZVKSSDZMEJHC-LBPRGKRZSA-N -1 0 337.466 3.773 20 0 EHADRM CCCC(=CC(=O)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1)CCC ZINC001595522017 981343785 /nfs/dbraw/zinc/34/37/85/981343785.db2.gz JDANHOXLGDJBQV-ZWKOTPCHSA-N -1 0 345.439 3.545 20 0 EHADRM O=C([O-])c1nc(C(=O)N(C2CC2)[C@H]2CCCc3ccccc32)cs1 ZINC000908729550 981349140 /nfs/dbraw/zinc/34/91/40/981349140.db2.gz MMHLIKNCRKZATR-HNNXBMFYSA-N -1 0 342.420 3.524 20 0 EHADRM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccoc1CC(=O)[O-] ZINC000908767415 981357620 /nfs/dbraw/zinc/35/76/20/981357620.db2.gz BXFVDNXOYBSQEV-NVXWUHKLSA-N -1 0 341.407 3.705 20 0 EHADRM CCC[C@H](C(=O)N(CCC(=O)[O-])C(C)C)c1cccc(Cl)c1 ZINC001595531832 981368341 /nfs/dbraw/zinc/36/83/41/981368341.db2.gz AFWUICQNOZYSFP-HNNXBMFYSA-N -1 0 325.836 3.935 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 ZINC000908854603 981377709 /nfs/dbraw/zinc/37/77/09/981377709.db2.gz KCTZKQSBHQYQJT-GFCCVEGCSA-N -1 0 345.361 3.925 20 0 EHADRM CCC[C@@H](C(=O)Nc1cc(C(=O)[O-])c[nH]c1=O)c1cccc(Cl)c1 ZINC001595538873 981394640 /nfs/dbraw/zinc/39/46/40/981394640.db2.gz WZHLJVKEPYCXLZ-CYBMUJFWSA-N -1 0 348.786 3.661 20 0 EHADRM CCC[C@@](C)(NC(=O)CCOc1cc(C)ccc1C(C)C)C(=O)[O-] ZINC001595547030 981416163 /nfs/dbraw/zinc/41/61/63/981416163.db2.gz JIKTUXDQKCPYPY-LJQANCHMSA-N -1 0 335.444 3.647 20 0 EHADRM CCC1(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CCOCC1 ZINC000909122953 981421183 /nfs/dbraw/zinc/42/11/83/981421183.db2.gz OONBTQQKAXJYBM-UHFFFAOYSA-N -1 0 333.409 3.745 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)[C@@H]3CCOC4(CCC4)C3)ccc2s1 ZINC000909122936 981421228 /nfs/dbraw/zinc/42/12/28/981421228.db2.gz OAVGALYLCABAKC-LLVKDONJSA-N -1 0 345.420 3.887 20 0 EHADRM O=C([O-])c1ccc2[nH]c3c(c2c1)CN(C(=O)C1=CCCCCC1)CC3 ZINC000909135986 981425101 /nfs/dbraw/zinc/42/51/01/981425101.db2.gz GVJIGCRGRVJZNE-UHFFFAOYSA-N -1 0 338.407 3.641 20 0 EHADRM CCC[C@](C)(NC(=O)c1cc2c(s1)-c1ccccc1CC2)C(=O)[O-] ZINC001595554118 981434638 /nfs/dbraw/zinc/43/46/38/981434638.db2.gz ZZYSCYADTFAWMG-IBGZPJMESA-N -1 0 343.448 3.887 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)C12CCC(CC1)C2 ZINC000909215487 981435053 /nfs/dbraw/zinc/43/50/53/981435053.db2.gz IIIUSBLCISHIPF-UHFFFAOYSA-N -1 0 329.421 3.796 20 0 EHADRM Cc1cc(NC(=O)[C@H](C)[C@@H]2OCCc3sccc32)ccc1C(=O)[O-] ZINC000909222230 981435636 /nfs/dbraw/zinc/43/56/36/981435636.db2.gz DXYYSHRKINHXFA-BZNIZROVSA-N -1 0 345.420 3.643 20 0 EHADRM C[C@H](c1ccc(C(=O)NCc2ccc(C(=O)[O-])o2)cc1)C(F)(F)F ZINC000909262380 981450801 /nfs/dbraw/zinc/45/08/01/981450801.db2.gz VCQPMLZSCIEEOM-SECBINFHSA-N -1 0 341.285 3.574 20 0 EHADRM O=C([O-])[C@H](CNC(=O)[C@@H]1CCC[C@H]1c1ccccc1)c1ccccc1 ZINC000909293435 981461559 /nfs/dbraw/zinc/46/15/59/981461559.db2.gz IWLDFQXHSUJIED-IPMKNSEASA-N -1 0 337.419 3.555 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)C[C@H]2C=CCCC2)cc1 ZINC000909325156 981468796 /nfs/dbraw/zinc/46/87/96/981468796.db2.gz IAPRMOFOHOQKLZ-BBRMVZONSA-N -1 0 333.453 3.787 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Cc1c[nH]c2cccc(Cl)c12 ZINC000909375298 981475996 /nfs/dbraw/zinc/47/59/96/981475996.db2.gz LDBSBSUOCTZQML-UHFFFAOYSA-N -1 0 336.819 3.514 20 0 EHADRM CCC[C@@H](C)C(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC001595571499 981479413 /nfs/dbraw/zinc/47/94/13/981479413.db2.gz JXTPOXVHCRAUDQ-LLVKDONJSA-N -1 0 332.425 3.807 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N[C@@H](C)c1ccccc1OC(C)C ZINC000909403466 981485418 /nfs/dbraw/zinc/48/54/18/981485418.db2.gz QYGJDRRZUWUWST-LBPRGKRZSA-N -1 0 331.368 3.564 20 0 EHADRM CCC[C@@H](C)c1cc(NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)n[nH]1 ZINC001595578421 981500316 /nfs/dbraw/zinc/50/03/16/981500316.db2.gz DGVQZNVILJMPJO-SECBINFHSA-N -1 0 334.351 3.795 20 0 EHADRM CC(C)(CC(=O)N(CCCC(=O)[O-])Cc1ccccc1)CC(F)F ZINC000909475597 981503993 /nfs/dbraw/zinc/50/39/93/981503993.db2.gz HYMIJEOONWBDDR-UHFFFAOYSA-N -1 0 341.398 3.952 20 0 EHADRM CCCCNc1ccccc1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000909477751 981504879 /nfs/dbraw/zinc/50/48/79/981504879.db2.gz LONXGLDYHSZWPX-HNNXBMFYSA-N -1 0 332.444 3.616 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2coc3cc(F)ccc32)C1 ZINC000909489820 981508080 /nfs/dbraw/zinc/50/80/80/981508080.db2.gz GFMCVKJIVSCFOU-LLVKDONJSA-N -1 0 333.359 3.535 20 0 EHADRM COc1ccc2c(c1)[C@@H](C(=O)Nc1cc(C(=O)[O-])c(C)cc1C)CC2 ZINC000909513837 981521484 /nfs/dbraw/zinc/52/14/84/981521484.db2.gz VCGICCPSIHZMRN-HNNXBMFYSA-N -1 0 339.391 3.679 20 0 EHADRM CCC[C@@H](CC)C(=O)N(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001595585864 981527128 /nfs/dbraw/zinc/52/71/28/981527128.db2.gz GWLAHFSAHZCMNF-OTYXRUKQSA-N -1 0 331.334 3.514 20 0 EHADRM CCC[C@@H](CC(C)C)C(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)[O-] ZINC001595586259 981530507 /nfs/dbraw/zinc/53/05/07/981530507.db2.gz UGWSSOVCWVXUAA-ZWKOTPCHSA-N -1 0 333.472 3.817 20 0 EHADRM CCC[C@@H](CC(C)C)C(=O)NC[C@H](Cc1cccc(C)c1)C(=O)[O-] ZINC001595586258 981530659 /nfs/dbraw/zinc/53/06/59/981530659.db2.gz UGWSSOVCWVXUAA-ROUUACIJSA-N -1 0 333.472 3.817 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000909557140 981541490 /nfs/dbraw/zinc/54/14/90/981541490.db2.gz QJESATKTTFSIGL-QKCSRTOESA-N -1 0 343.345 3.569 20 0 EHADRM CCN(Cc1ccccc1C)C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000909572827 981545843 /nfs/dbraw/zinc/54/58/43/981545843.db2.gz YXQCXOIIBLLPKG-UHFFFAOYSA-N -1 0 329.440 3.769 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2coc(C3CCCCC3)n2)c2ccccc21 ZINC000909580120 981547816 /nfs/dbraw/zinc/54/78/16/981547816.db2.gz XKBDCNTXIKIMLH-AWEZNQCLSA-N -1 0 340.379 3.551 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C23CCC(CC2)C3)C[C@H]1c1ccc(Cl)cc1 ZINC000909628547 981556550 /nfs/dbraw/zinc/55/65/50/981556550.db2.gz LIDLNLMJPDZDFZ-GGXOKCCSSA-N -1 0 347.842 3.547 20 0 EHADRM CCC[C@H](NC(=O)N1CCc2cccc(C(=O)[O-])c2C1)C(C)(C)C ZINC001595598663 981569106 /nfs/dbraw/zinc/56/91/06/981569106.db2.gz NGDYZNNEEMJSQT-INIZCTEOSA-N -1 0 332.444 3.667 20 0 EHADRM CCC[C@H](NC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)C1CCC1 ZINC001595600330 981578879 /nfs/dbraw/zinc/57/88/79/981578879.db2.gz OWJDYBFUINZDSK-HNNXBMFYSA-N -1 0 329.400 3.956 20 0 EHADRM CCC[C@@H](NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)c1ccccn1 ZINC001595600294 981579242 /nfs/dbraw/zinc/57/92/42/981579242.db2.gz NIPNFWXOIQARRC-CQSZACIVSA-N -1 0 349.337 3.721 20 0 EHADRM CCC[C@H](NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)C1CCCC1 ZINC001595600838 981583634 /nfs/dbraw/zinc/58/36/34/981583634.db2.gz XWKRWYUITYXOPZ-JTDSTZFVSA-N -1 0 336.476 3.632 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N(Cc1ccccc1)[C@@H](C)Cc1ccccc1 ZINC001594741436 981611449 /nfs/dbraw/zinc/61/14/49/981611449.db2.gz PDFFZMQHWWHFSM-QFBILLFUSA-N -1 0 339.435 3.757 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N(CC1CC1)c1cccc(C(F)(F)F)c1 ZINC001594741836 981614646 /nfs/dbraw/zinc/61/46/46/981614646.db2.gz VIHNLJZBPRHSSD-CYBMUJFWSA-N -1 0 329.318 3.559 20 0 EHADRM CCC[C@]1(C)CCCN(C(=O)Nc2ccc(C(=O)[O-])cc2OC)C1 ZINC001595615500 981636810 /nfs/dbraw/zinc/63/68/10/981636810.db2.gz BVXAEPFJLNRNLL-GOSISDBHSA-N -1 0 334.416 3.828 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)CC2CC(OC(C)(C)C)C2)c1 ZINC000909832234 981649764 /nfs/dbraw/zinc/64/97/64/981649764.db2.gz RCVSIMPDZGXXDD-FUJMWEONSA-N -1 0 333.428 3.797 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC001594750135 981653583 /nfs/dbraw/zinc/65/35/83/981653583.db2.gz ZDVXCVAKSNVKPR-HZPDHXFCSA-N -1 0 349.789 3.796 20 0 EHADRM COc1ccc2c(c1)[C@H](C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1)CC2 ZINC000909835688 981655010 /nfs/dbraw/zinc/65/50/10/981655010.db2.gz IMKSCUAEHCDDBC-YVEFUNNKSA-N -1 0 339.391 3.552 20 0 EHADRM Cc1ccccc1NCCC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000909836309 981656389 /nfs/dbraw/zinc/65/63/89/981656389.db2.gz ONSIUIXWEDQYQD-CQSZACIVSA-N -1 0 326.396 3.624 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@H](C)c1c(F)cccc1F)c1ccccc1 ZINC001594763588 981700063 /nfs/dbraw/zinc/70/00/63/981700063.db2.gz AFHUJBBOJPZLBN-WBMJQRKESA-N -1 0 347.361 3.965 20 0 EHADRM CCC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001595622640 981712703 /nfs/dbraw/zinc/71/27/03/981712703.db2.gz UXXQMKIVNPDIJU-LRDDRELGSA-N -1 0 336.407 3.682 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)Cc1cc(C)cc(C)c1)c1ccccc1 ZINC001594767085 981724146 /nfs/dbraw/zinc/72/41/46/981724146.db2.gz ARJSTJXWEKPXOC-GOSISDBHSA-N -1 0 325.408 3.742 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@@H]1CCOC2(CCCC2)C1)c1ccccc1 ZINC001594768336 981730249 /nfs/dbraw/zinc/73/02/49/981730249.db2.gz VSUYTMMMXIANNC-WBVHZDCISA-N -1 0 345.439 3.622 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2=CCCCC2)c(OCC(F)(F)F)c1 ZINC000910040462 981739384 /nfs/dbraw/zinc/73/93/84/981739384.db2.gz HEINJSMIURQPDO-UHFFFAOYSA-N -1 0 343.301 3.765 20 0 EHADRM CC(C)(CC(=O)NC[C@@H](C(=O)[O-])C1CCCCC1)CC(F)(F)F ZINC000910231490 981795573 /nfs/dbraw/zinc/79/55/73/981795573.db2.gz PZYFKMPSBHUSMU-GFCCVEGCSA-N -1 0 337.382 3.752 20 0 EHADRM Cc1cc(CCNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)ccc1Cl ZINC000910244385 981812297 /nfs/dbraw/zinc/81/22/97/981812297.db2.gz QYWIWOLRVCZEII-UHFFFAOYSA-N -1 0 349.858 3.732 20 0 EHADRM O=C([O-])CC1(CC(=O)N2CCC3(CCSCC3)CC2)CCCC1 ZINC000910282094 981841111 /nfs/dbraw/zinc/84/11/11/981841111.db2.gz RTXWRLYLAMNVLO-UHFFFAOYSA-N -1 0 339.501 3.547 20 0 EHADRM CCCC[C@@H](CC)CCCN(C)C(=O)Nc1nn(C)cc1C(=O)[O-] ZINC001595632392 981854294 /nfs/dbraw/zinc/85/42/94/981854294.db2.gz GGSBSUFXZDNLRQ-CYBMUJFWSA-N -1 0 338.452 3.579 20 0 EHADRM C[C@H]1[C@H](C(F)(F)F)CCN1c1nc(C(F)(F)F)ccc1C(=O)[O-] ZINC000910308575 981866187 /nfs/dbraw/zinc/86/61/87/981866187.db2.gz MLPGLERZCLFTFR-POYBYMJQSA-N -1 0 342.239 3.576 20 0 EHADRM CCC(C)(C)[C@H](C)NC(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC001594794399 981870686 /nfs/dbraw/zinc/87/06/86/981870686.db2.gz KUIXVDKMEGYNAC-MNOVXSKESA-N -1 0 340.395 3.624 20 0 EHADRM CCCC[C@@H](NC(=O)/C=C/c1csc(C(F)(F)F)c1)C(=O)[O-] ZINC001595634650 981891647 /nfs/dbraw/zinc/89/16/47/981891647.db2.gz LKWZCUUMJBGTLN-BRAIEQGRSA-N -1 0 335.347 3.540 20 0 EHADRM CCCC[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3)C(=O)[O-] ZINC001595636785 981922997 /nfs/dbraw/zinc/92/29/97/981922997.db2.gz PYECVIHYXYTSSH-SFHVURJKSA-N -1 0 342.439 3.810 20 0 EHADRM CCCC[C@@H](NC(=O)c1ccsc1-n1c(C)ccc1C)C(=O)[O-] ZINC001595637174 981927407 /nfs/dbraw/zinc/92/74/07/981927407.db2.gz VCOXBIHODXJEQO-CQSZACIVSA-N -1 0 334.441 3.529 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1cccc(C(F)F)c1 ZINC000910505173 981971182 /nfs/dbraw/zinc/97/11/82/981971182.db2.gz XUYHDVYPLZJMIW-UHFFFAOYSA-N -1 0 327.371 3.833 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(Oc2cccc(C)c2)cn1 ZINC001594822372 981974746 /nfs/dbraw/zinc/97/47/46/981974746.db2.gz VMFDTUAYMNZNMW-IBGZPJMESA-N -1 0 342.395 3.556 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1sc(C2CCCCC2)nc1C ZINC001594826828 981993876 /nfs/dbraw/zinc/99/38/76/981993876.db2.gz WUIRQQCPTXVWAQ-KRWDZBQOSA-N -1 0 338.473 3.872 20 0 EHADRM CCCC[C@H](OC(=O)c1csc(-c2ccccc2C)n1)C(=O)[O-] ZINC001595651510 982022421 /nfs/dbraw/zinc/02/24/21/982022421.db2.gz HCUDNDPLWXWIKF-AWEZNQCLSA-N -1 0 333.409 3.919 20 0 EHADRM CCCC[C@@H](S[C@H](C)C(=O)Nc1ccc(C)cc1F)C(=O)[O-] ZINC001595652190 982031502 /nfs/dbraw/zinc/03/15/02/982031502.db2.gz PUUKDBIUQMNFKJ-BXUZGUMPSA-N -1 0 327.421 3.838 20 0 EHADRM Cc1cn(C2CCCCC2)nc1NC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC000910647365 982039553 /nfs/dbraw/zinc/03/95/53/982039553.db2.gz DUBHAHWGFYZMPI-UHFFFAOYSA-N -1 0 341.411 3.956 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)c2ccc(C)c(C(=O)[O-])c2)c1C1CC1 ZINC000910648595 982040801 /nfs/dbraw/zinc/04/08/01/982040801.db2.gz LCKBAYXZCBZAFU-LBPRGKRZSA-N -1 0 341.411 3.990 20 0 EHADRM CC[C@H](C)n1nc(NC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1C ZINC000910649290 982040830 /nfs/dbraw/zinc/04/08/30/982040830.db2.gz FWIGMGKXTILJMZ-VIFPVBQESA-N -1 0 335.791 3.766 20 0 EHADRM CC[C@](C)(NC(=O)/C=C\c1cc(C(=O)[O-])co1)c1ccc(F)cc1 ZINC001594836856 982042249 /nfs/dbraw/zinc/04/22/49/982042249.db2.gz HUIOLKDLDXTAHY-GIFJBRJJSA-N -1 0 331.343 3.572 20 0 EHADRM CCCC[C@H](SCC(=O)N(C)Cc1ccc(CC)cc1)C(=O)[O-] ZINC001595655157 982043255 /nfs/dbraw/zinc/04/32/55/982043255.db2.gz HUOYGBKTCVIEHY-INIZCTEOSA-N -1 0 337.485 3.584 20 0 EHADRM CCCC[C@H]1CCC[C@H]1NC(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC001595660657 982072408 /nfs/dbraw/zinc/07/24/08/982072408.db2.gz LQWHLDPUVNUMFK-KBXCAEBGSA-N -1 0 344.455 3.811 20 0 EHADRM CCCCCC(C)(C)C(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC001595663040 982082086 /nfs/dbraw/zinc/08/20/86/982082086.db2.gz QDHOUAWDCSGXGZ-AWEZNQCLSA-N -1 0 335.444 3.934 20 0 EHADRM CC(C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1)=C1CCCC1 ZINC000910721901 982085412 /nfs/dbraw/zinc/08/54/12/982085412.db2.gz NYYVUYJNYNOASQ-ZDUSSCGKSA-N -1 0 334.441 3.704 20 0 EHADRM O=C([O-])c1nc(NC(=O)[C@H]2CSc3ccccc32)sc1C1CC1 ZINC000910732400 982094117 /nfs/dbraw/zinc/09/41/17/982094117.db2.gz AMGQUZFOSSPECF-JTQLQIEISA-N -1 0 346.433 3.547 20 0 EHADRM C[C@@H](Cc1ccccc1)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910736060 982099139 /nfs/dbraw/zinc/09/91/39/982099139.db2.gz LBCXLVWONYIAFP-JTQLQIEISA-N -1 0 330.409 3.536 20 0 EHADRM CCCCC[C@@H](CC)C(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC001595669834 982115120 /nfs/dbraw/zinc/11/51/20/982115120.db2.gz KLQZXUGLKUDYJY-IAQYHMDHSA-N -1 0 327.371 3.813 20 0 EHADRM CCCCC[C@H](NC(=O)C[C@@H](C)c1c[nH]c2ccccc21)C(=O)[O-] ZINC001595673213 982139410 /nfs/dbraw/zinc/13/94/10/982139410.db2.gz WEGLYCLKGGVEAD-DYVFJYSZSA-N -1 0 330.428 3.811 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)C[C@H]1CC(=O)[O-] ZINC000910856806 982147027 /nfs/dbraw/zinc/14/70/27/982147027.db2.gz GNVCNKZYLRFYND-PSASIEDQSA-N -1 0 349.736 3.542 20 0 EHADRM CSc1ccc(NC(=O)c2coc(C3CCC3)n2)cc1C(=O)[O-] ZINC000910946168 982170397 /nfs/dbraw/zinc/17/03/97/982170397.db2.gz JWOFZVJZJBBUKP-UHFFFAOYSA-N -1 0 332.381 3.615 20 0 EHADRM CO[C@H]1CCC[C@@H](CC(=O)Nc2ccc(SC)c(C(=O)[O-])c2)C1 ZINC000910946389 982171673 /nfs/dbraw/zinc/17/16/73/982171673.db2.gz NQQRLWHFZBYONO-YPMHNXCESA-N -1 0 337.441 3.641 20 0 EHADRM CSc1ccc(NC(=O)C[C@H](C)n2nc(C)cc2C)cc1C(=O)[O-] ZINC000910949916 982173416 /nfs/dbraw/zinc/17/34/16/982173416.db2.gz QKCHKWRNMQPNOW-LBPRGKRZSA-N -1 0 347.440 3.510 20 0 EHADRM CSc1ccc(NC(=O)CO[C@H]2CCCC[C@H]2C)cc1C(=O)[O-] ZINC000910950646 982174444 /nfs/dbraw/zinc/17/44/44/982174444.db2.gz ZHTDTCLRSPAKLT-RISCZKNCSA-N -1 0 337.441 3.641 20 0 EHADRM CCCCCCC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001595690717 982200469 /nfs/dbraw/zinc/20/04/69/982200469.db2.gz UKYNHKFAZLNWNX-JKSUJKDBSA-N -1 0 337.847 3.937 20 0 EHADRM CCCCC[C@H]1CCCCN1S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001595691035 982204035 /nfs/dbraw/zinc/20/40/35/982204035.db2.gz YFUFPZFDHWLZJU-AWEZNQCLSA-N -1 0 339.457 3.508 20 0 EHADRM C[C@@]1(Cc2cccs2)CCCN1C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000911060296 982218846 /nfs/dbraw/zinc/21/88/46/982218846.db2.gz BXLGGUYULGUELK-POZKEBTKSA-N -1 0 345.420 3.676 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[C@@]1(C)Cc1cccs1 ZINC000911061510 982219467 /nfs/dbraw/zinc/21/94/67/982219467.db2.gz HZOPHVYOMMPZLH-KRWDZBQOSA-N -1 0 333.409 3.585 20 0 EHADRM C[C@]1(Cc2cccs2)CCCN1C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000911061916 982220398 /nfs/dbraw/zinc/22/03/98/982220398.db2.gz LDVIKGHUEIQDQT-QWQRMKEZSA-N -1 0 335.469 3.563 20 0 EHADRM C[C@]1(Cc2cccs2)CCCN1C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000911061914 982220767 /nfs/dbraw/zinc/22/07/67/982220767.db2.gz LDVIKGHUEIQDQT-HBUWYVDXSA-N -1 0 335.469 3.563 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)Cc2cccc(C(=O)[O-])c2)c1 ZINC000911082396 982229404 /nfs/dbraw/zinc/22/94/04/982229404.db2.gz KSCYPACVRUVOMU-UHFFFAOYSA-N -1 0 341.407 3.881 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccccc2Oc2ccccn2)C1 ZINC000911082941 982229468 /nfs/dbraw/zinc/22/94/68/982229468.db2.gz PPECHNIHAGZDJS-KBPBESRZSA-N -1 0 340.379 3.703 20 0 EHADRM O=C([O-])c1ccc(CC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 ZINC000911086738 982230630 /nfs/dbraw/zinc/23/06/30/982230630.db2.gz JJNFPEJBJGIEJN-UHFFFAOYSA-N -1 0 338.407 3.556 20 0 EHADRM Cc1cc(C(=O)Nc2ccccc2N2CCCCC2)oc1C(=O)[O-] ZINC000911091242 982231467 /nfs/dbraw/zinc/23/14/67/982231467.db2.gz DJCPBLUMPSAKGE-UHFFFAOYSA-N -1 0 328.368 3.529 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000911104494 982237829 /nfs/dbraw/zinc/23/78/29/982237829.db2.gz DFRDCKUSFFMREN-STQMWFEESA-N -1 0 346.452 3.503 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000911104493 982238324 /nfs/dbraw/zinc/23/83/24/982238324.db2.gz DFRDCKUSFFMREN-QWHCGFSZSA-N -1 0 346.452 3.503 20 0 EHADRM CCCCCC[C@@H](CC)C(=O)N1CC(=O)Nc2cc(C(=O)[O-])ccc21 ZINC001595699588 982259065 /nfs/dbraw/zinc/25/90/65/982259065.db2.gz ZTDKATZIUKAJJY-CYBMUJFWSA-N -1 0 346.427 3.667 20 0 EHADRM CCCCCC[C@H](CC)C(=O)N1CC(=O)Nc2cc(C(=O)[O-])ccc21 ZINC001595699590 982259146 /nfs/dbraw/zinc/25/91/46/982259146.db2.gz ZTDKATZIUKAJJY-ZDUSSCGKSA-N -1 0 346.427 3.667 20 0 EHADRM CCCCCCN(Cc1ccc(C)o1)C(=O)c1ccc(C(=O)[O-])n1C ZINC001595708742 982286938 /nfs/dbraw/zinc/28/69/38/982286938.db2.gz FNQADMHJVHIZAC-UHFFFAOYSA-N -1 0 346.427 3.847 20 0 EHADRM CCCCCCO[C@@H](C)C(=O)Nc1sc(CC)cc1C(=O)[O-] ZINC001595710099 982293566 /nfs/dbraw/zinc/29/35/66/982293566.db2.gz CHUGYWUNKJDPJW-NSHDSACASA-N -1 0 327.446 3.933 20 0 EHADRM O=C([O-])CC1(CC(=O)N2CCCCC[C@@H]2c2ccncc2)CCCC1 ZINC000911233444 982303770 /nfs/dbraw/zinc/30/37/70/982303770.db2.gz CIJLALASTANKRX-QGZVFWFLSA-N -1 0 344.455 3.951 20 0 EHADRM CCCCCOc1ccc(C(=O)NCc2ccccc2C(=O)[O-])cc1 ZINC001595721657 982337527 /nfs/dbraw/zinc/33/75/27/982337527.db2.gz QRIAAMFNHLJJGI-UHFFFAOYSA-N -1 0 341.407 3.884 20 0 EHADRM CCCCCOc1cc(C)ccc1CNc1nc(C)cc(C(=O)[O-])n1 ZINC001595722324 982340467 /nfs/dbraw/zinc/34/04/67/982340467.db2.gz ZWWWLQKSRWEYOY-UHFFFAOYSA-N -1 0 343.427 3.973 20 0 EHADRM CCCCC(=O)N(Cc1ccoc1C(=O)[O-])[C@H](C)c1ccccn1 ZINC000911326689 982351066 /nfs/dbraw/zinc/35/10/66/982351066.db2.gz HXZWKKISIIAKPJ-CYBMUJFWSA-N -1 0 330.384 3.653 20 0 EHADRM CC/C(C)=C\C(=O)N(Cc1ccoc1C(=O)[O-])[C@@H](C)c1ccccn1 ZINC000911326946 982351903 /nfs/dbraw/zinc/35/19/03/982351903.db2.gz AYQAESFDJZZSFS-FZDNWWAKSA-N -1 0 342.395 3.819 20 0 EHADRM CCCCN(C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1)C1CC1 ZINC001595731925 982365181 /nfs/dbraw/zinc/36/51/81/982365181.db2.gz KWLBJYPTJIGWGY-UHFFFAOYSA-N -1 0 328.771 3.974 20 0 EHADRM Cc1nc(-c2ccccc2NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cs1 ZINC000911374348 982391076 /nfs/dbraw/zinc/39/10/76/982391076.db2.gz QSTWMLDOASHWRH-CHWSQXEVSA-N -1 0 344.436 3.948 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)CCc1ccccc1C(=O)[O-])C(C)C ZINC000911376448 982391831 /nfs/dbraw/zinc/39/18/31/982391831.db2.gz GCSKUVKIOMYOTF-SFHVURJKSA-N -1 0 340.423 3.534 20 0 EHADRM CCCCN(C)c1ccc(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC001595741269 982400786 /nfs/dbraw/zinc/40/07/86/982400786.db2.gz HUWIINLPGFXMCW-ZRDIBKRKSA-N -1 0 342.395 3.866 20 0 EHADRM CCCCN(Cc1ccccc1F)C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001595747691 982415693 /nfs/dbraw/zinc/41/56/93/982415693.db2.gz IVNDDIADSDLJHC-JKSUJKDBSA-N -1 0 335.419 3.845 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)c1ccc(OCC2CCCCC2)cc1)C(=O)[O-] ZINC001594913056 982428089 /nfs/dbraw/zinc/42/80/89/982428089.db2.gz WXBJRXDZONVACC-KBXCAEBGSA-N -1 0 347.455 3.875 20 0 EHADRM CCCCN1CCc2ccc(NC(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)cc21 ZINC001595751941 982437967 /nfs/dbraw/zinc/43/79/67/982437967.db2.gz YVZYQVSEOVYVMG-WKILWMFISA-N -1 0 344.455 3.679 20 0 EHADRM CCCCNc1ccccc1C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC001595763516 982472842 /nfs/dbraw/zinc/47/28/42/982472842.db2.gz NWVTYTFICBDCDD-UHFFFAOYSA-N -1 0 332.444 3.664 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H]2c2ccc(F)cc2F)C1 ZINC000911547452 982490271 /nfs/dbraw/zinc/49/02/71/982490271.db2.gz XLKRLBCHFTVBTO-XHBSWPGZSA-N -1 0 337.366 3.519 20 0 EHADRM COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)CCCCC(=O)[O-] ZINC000911575032 982512607 /nfs/dbraw/zinc/51/26/07/982512607.db2.gz XOXHTJNXQNZOKG-HOCLYGCPSA-N -1 0 333.428 3.640 20 0 EHADRM CC1(C(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)CCCCC1 ZINC000911597966 982530152 /nfs/dbraw/zinc/53/01/52/982530152.db2.gz MKTKEJBKIBIYIB-UHFFFAOYSA-N -1 0 344.455 3.758 20 0 EHADRM CCCCOc1ccc([C@H](C)Nc2ncncc2C(=O)[O-])cc1OC ZINC001595775689 982539744 /nfs/dbraw/zinc/53/97/44/982539744.db2.gz RJWNNOZPORDKGW-LBPRGKRZSA-N -1 0 345.399 3.535 20 0 EHADRM CCCCOc1cccc(CNC(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC001595780509 982550026 /nfs/dbraw/zinc/55/00/26/982550026.db2.gz DGRQYHOTRXXTMF-UHFFFAOYSA-N -1 0 342.395 3.885 20 0 EHADRM CCCCOc1cccc(NC(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC001595780855 982555098 /nfs/dbraw/zinc/55/50/98/982555098.db2.gz IGTFNTODYXPVBT-UHFFFAOYSA-N -1 0 331.343 3.955 20 0 EHADRM C/C(=C\C1CCC(C)CC1)C(=O)N[C@](C)(CC(=O)[O-])c1ccccn1 ZINC000911623813 982567078 /nfs/dbraw/zinc/56/70/78/982567078.db2.gz NNRLGCZTANNZEL-ODTVCOQCSA-N -1 0 344.455 3.660 20 0 EHADRM CCCCS[C@@H](C)C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC001595789331 982588469 /nfs/dbraw/zinc/58/84/69/982588469.db2.gz VNAUBGJYQLZJAW-VIFPVBQESA-N -1 0 344.502 3.999 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)[C@H](C)c1cccc(CC(C)C)c1)C(=O)[O-] ZINC001594935882 982589553 /nfs/dbraw/zinc/58/95/53/982589553.db2.gz CEOSPDMLNQORGH-DAYGRLMNSA-N -1 0 333.472 3.994 20 0 EHADRM CC(C)(C)C1CCC(=CC(=O)N[C@H](CC(=O)[O-])c2ccncc2)CC1 ZINC000911662652 982592694 /nfs/dbraw/zinc/59/26/94/982592694.db2.gz IONFCYDFGARJRT-ZYMOGRSISA-N -1 0 344.455 3.876 20 0 EHADRM CCCCc1ccc(C(=O)N[C@](C)(CC(=O)[O-])c2cccnc2)cc1 ZINC001595793561 982595648 /nfs/dbraw/zinc/59/56/48/982595648.db2.gz JFNXNGICJJHNGW-HXUWFJFHSA-N -1 0 340.423 3.544 20 0 EHADRM CCCCc1ccc(N(C)C(=O)Nc2cc(C(=O)[O-])ccn2)cc1 ZINC001595795865 982599585 /nfs/dbraw/zinc/59/95/85/982599585.db2.gz CNGLIGAXVQCAJH-UHFFFAOYSA-N -1 0 327.384 3.791 20 0 EHADRM CCCCc1ccc(CC(=O)Nc2cc(C)c(C(=O)[O-])cn2)cc1 ZINC001595796178 982600617 /nfs/dbraw/zinc/60/06/17/982600617.db2.gz IYLFAQIGHXQHDU-UHFFFAOYSA-N -1 0 326.396 3.612 20 0 EHADRM CCCCc1ccc(NC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)cc1 ZINC001595796619 982602740 /nfs/dbraw/zinc/60/27/40/982602740.db2.gz PPAMZQJNOSSOQQ-WTTBNOFXSA-N -1 0 330.428 3.650 20 0 EHADRM CCCN(C(=O)c1ccc(CCC(F)(F)F)cc1)[C@H](C)C(=O)[O-] ZINC000911709230 982607215 /nfs/dbraw/zinc/60/72/15/982607215.db2.gz SYDBIKGMBXGHNR-LLVKDONJSA-N -1 0 331.334 3.507 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)CSc1ccc2ccccc2c1)C(=O)[O-] ZINC001594942008 982616552 /nfs/dbraw/zinc/61/65/52/982616552.db2.gz IWECHPHIHHRKJU-SUMWQHHRSA-N -1 0 345.464 3.938 20 0 EHADRM CC(C)CCSCC(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC000911738832 982621625 /nfs/dbraw/zinc/62/16/25/982621625.db2.gz JGKQOLLTULNTEG-UHFFFAOYSA-N -1 0 339.457 3.890 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2cc(-c3cccc(F)c3)no2)c1 ZINC000915150092 982664270 /nfs/dbraw/zinc/66/42/70/982664270.db2.gz IMWXIVDXLFCLJK-UHFFFAOYSA-N -1 0 344.273 3.570 20 0 EHADRM CCCN(C(=O)CCC[C@H](C)c1cccc(OC)c1)[C@H](C)C(=O)[O-] ZINC001595817166 982679145 /nfs/dbraw/zinc/67/91/45/982679145.db2.gz OURNERNPFAJIRZ-LSDHHAIUSA-N -1 0 335.444 3.681 20 0 EHADRM O=C([O-])[C@]1(CC(=O)Nc2ccc(Cl)cc2Cl)CCSC1 ZINC000064610298 1014867809 /nfs/dbraw/zinc/86/78/09/1014867809.db2.gz KGGVGYVKQJSJFH-ZDUSSCGKSA-N -1 0 334.224 3.530 20 0 EHADRM CC[C@@H](C)CCC(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001594957102 982690795 /nfs/dbraw/zinc/69/07/95/982690795.db2.gz JKXXGQOKPDEDOP-GFCCVEGCSA-N -1 0 346.452 3.951 20 0 EHADRM O=C([O-])c1cccc2c1CN(C(=O)c1ccsc1C(F)F)CC2 ZINC000923086880 982715111 /nfs/dbraw/zinc/71/51/11/982715111.db2.gz QMAMRACZAXZTOV-UHFFFAOYSA-N -1 0 337.347 3.582 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)c1cnn(CCC(C)C)c1C ZINC000923094707 982719770 /nfs/dbraw/zinc/71/97/70/982719770.db2.gz LWAUSEZAQLSCGA-UHFFFAOYSA-N -1 0 335.429 3.558 20 0 EHADRM CC[C@@H](C)CSCC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C ZINC001594966920 982725452 /nfs/dbraw/zinc/72/54/52/982725452.db2.gz IAOLPJSZGVONFD-MLGOLLRUSA-N -1 0 348.468 3.501 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@H](C)Sc1ccccc1Cl ZINC001594968147 982732067 /nfs/dbraw/zinc/73/20/67/982732067.db2.gz HLVLWEKTROSCBF-MNOVXSKESA-N -1 0 329.849 3.532 20 0 EHADRM CC(C)(C(=O)NCCc1ccccc1C(=O)[O-])c1cccc(Cl)c1 ZINC000923118777 982737602 /nfs/dbraw/zinc/73/76/02/982737602.db2.gz GKMBFQQFYZEDPX-UHFFFAOYSA-N -1 0 345.826 3.675 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)CSc1ccc2ccccc2c1 ZINC001594974302 982745177 /nfs/dbraw/zinc/74/51/77/982745177.db2.gz DHAMIGCAWSAKSE-CYBMUJFWSA-N -1 0 331.437 3.644 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC001595849104 982779515 /nfs/dbraw/zinc/77/95/15/982779515.db2.gz RNFOGGXNQKWHGM-UHFFFAOYSA-N -1 0 349.471 3.924 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)C[C@H](C)CC(C)(C)C ZINC000655050638 1014881987 /nfs/dbraw/zinc/88/19/87/1014881987.db2.gz UKXMKPLFBPBACX-NSHDSACASA-N -1 0 330.432 3.887 20 0 EHADRM CCCN(CC)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1C ZINC001595865012 982820390 /nfs/dbraw/zinc/82/03/90/982820390.db2.gz PBBPKLZCNCMXKS-UHFFFAOYSA-N -1 0 343.221 3.720 20 0 EHADRM CCCN(CC)c1ccc(C(=O)NCC(CC)(CC)C(=O)[O-])cc1 ZINC001595868946 982844446 /nfs/dbraw/zinc/84/44/46/982844446.db2.gz HFRMHCPGNMJGAV-UHFFFAOYSA-N -1 0 334.460 3.544 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1C1CC1 ZINC000925892264 982866363 /nfs/dbraw/zinc/86/63/63/982866363.db2.gz NXOOZUZZPPAVLA-WDEREUQCSA-N -1 0 343.210 3.568 20 0 EHADRM CC[C@@H](C)Oc1cc(C(=O)Nc2ccc(C)c(C)c2C(=O)[O-])ccn1 ZINC001594995980 982896940 /nfs/dbraw/zinc/89/69/40/982896940.db2.gz CHWWOTWCMJKDIW-GFCCVEGCSA-N -1 0 342.395 3.826 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(OC)cc2C(=O)[O-])cc1 ZINC001594999675 982909486 /nfs/dbraw/zinc/90/94/86/982909486.db2.gz NTAZNVWETOZYCA-GFCCVEGCSA-N -1 0 343.379 3.823 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)N[C@H](CC(=O)[O-])C2CCCC2)cc1 ZINC001594999701 982910388 /nfs/dbraw/zinc/91/03/88/982910388.db2.gz OMHFBCQYGFVXRP-CXAGYDPISA-N -1 0 333.428 3.627 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)Nc2cc(C)c(C(=O)[O-])cn2)cc1 ZINC001594999816 982911005 /nfs/dbraw/zinc/91/10/05/982911005.db2.gz QBTQKJMULVZFRL-GFCCVEGCSA-N -1 0 328.368 3.518 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)N2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)cc1 ZINC001595000386 982912477 /nfs/dbraw/zinc/91/24/77/982912477.db2.gz VXCZBNYOKAUDKU-HLPPOEQASA-N -1 0 333.428 3.578 20 0 EHADRM CCCN(Cc1ccc(F)cc1F)C(=O)CC(C)(C)CC(=O)[O-] ZINC001595888966 982919138 /nfs/dbraw/zinc/91/91/38/982919138.db2.gz UZBRCLUPIGUOQP-UHFFFAOYSA-N -1 0 327.371 3.594 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)Nc2cnc(C)c(C(=O)[O-])c2)c1 ZINC001595007479 982925012 /nfs/dbraw/zinc/92/50/12/982925012.db2.gz CNVNKWCPHYOIMY-LLVKDONJSA-N -1 0 343.383 3.910 20 0 EHADRM CC[C@@H](C)Oc1ccc(NC(=O)N2CCC[C@@](C)(C(=O)[O-])C2)cc1 ZINC001595008293 982928965 /nfs/dbraw/zinc/92/89/65/982928965.db2.gz NUKYYGXRBDNIKG-FZKQIMNGSA-N -1 0 334.416 3.583 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CC[C@@H]2CCCC[C@H]2C1)C(=O)[O-] ZINC001116480903 982930681 /nfs/dbraw/zinc/93/06/81/982930681.db2.gz VOWUBUOUOVLVRS-KKUMJFAQSA-N -1 0 347.480 3.904 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)CSCc2cccs2)c1 ZINC001118011319 982941483 /nfs/dbraw/zinc/94/14/83/982941483.db2.gz IVFOKOCHPJSGQQ-LLVKDONJSA-N -1 0 335.450 3.808 20 0 EHADRM CN(C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)C(C)(C)CC(=O)[O-] ZINC001118808083 982962659 /nfs/dbraw/zinc/96/26/59/982962659.db2.gz OSKGIQVJLQBDJJ-UHFFFAOYSA-N -1 0 343.210 3.800 20 0 EHADRM Cc1oc(CN(C)Cc2cscc2C(F)(F)F)cc1C(=O)[O-] ZINC001119597836 982999938 /nfs/dbraw/zinc/99/99/38/982999938.db2.gz UDXBFQFEYSRIPL-UHFFFAOYSA-N -1 0 333.331 3.999 20 0 EHADRM CCCO[C@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])cc2CC)CC1 ZINC001595945445 983102234 /nfs/dbraw/zinc/10/22/34/983102234.db2.gz LXFVTHMOPRIZBT-INIZCTEOSA-N -1 0 348.443 3.760 20 0 EHADRM CCCOCCOC(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC001595946164 983107039 /nfs/dbraw/zinc/10/70/39/983107039.db2.gz IZMKXHSECGJVAW-KRWDZBQOSA-N -1 0 345.395 3.508 20 0 EHADRM CCCOc1cc(C)ccc1NC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001595950737 983122134 /nfs/dbraw/zinc/12/21/34/983122134.db2.gz XGJBLYIREAVNGJ-FNORWQNLSA-N -1 0 329.352 3.727 20 0 EHADRM CCCOc1ccc(NC(=O)NCC2(CC(=O)[O-])CCCC2)cc1C ZINC001595960456 983151678 /nfs/dbraw/zinc/15/16/78/983151678.db2.gz JHNDPPNBLNKJLY-UHFFFAOYSA-N -1 0 348.443 3.940 20 0 EHADRM CCCOc1ccc(NC(=O)N[C@@H](CC(=O)[O-])C2CCCC2)cc1 ZINC001595960479 983152357 /nfs/dbraw/zinc/15/23/57/983152357.db2.gz JSNAHNXBICLPMB-INIZCTEOSA-N -1 0 334.416 3.630 20 0 EHADRM CCCOc1ccc(NC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])cc1C(C)C ZINC001595961088 983155894 /nfs/dbraw/zinc/15/58/94/983155894.db2.gz RQNOQSTZDULUCX-ZBFHGGJFSA-N -1 0 348.443 3.974 20 0 EHADRM CCCOc1ccc(NC(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])cc1Cl ZINC001595961238 983157813 /nfs/dbraw/zinc/15/78/13/983157813.db2.gz WWNBUGHALXCZGJ-WCQYABFASA-N -1 0 340.807 3.504 20 0 EHADRM CCCOc1ccccc1NC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001595968634 983184537 /nfs/dbraw/zinc/18/45/37/983184537.db2.gz CYZSASKGJTZRIR-CQSZACIVSA-N -1 0 334.416 3.584 20 0 EHADRM CCCOc1ccccc1NC(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC001595968699 983185636 /nfs/dbraw/zinc/18/56/36/983185636.db2.gz HNBSIKMUHVTTOJ-OAHLLOKOSA-N -1 0 348.443 3.878 20 0 EHADRM CCCc1c(C(=O)N2C[C@@H](C)[C@H]2c2ccccc2)[nH]c(C)c1C(=O)[O-] ZINC001596031146 983302150 /nfs/dbraw/zinc/30/21/50/983302150.db2.gz RTUUDPOMVGGGCS-XIKOKIGWSA-N -1 0 340.423 3.807 20 0 EHADRM CCCc1c(C(=O)N[C@H](C)CCCC(F)(F)F)[nH]c(C)c1C(=O)[O-] ZINC001596036624 983314658 /nfs/dbraw/zinc/31/46/58/983314658.db2.gz NDTXIVQZKWPQRF-SECBINFHSA-N -1 0 348.365 3.825 20 0 EHADRM CCCc1c(C(=O)NCC(C)(C)C(F)(F)CC)[nH]c(C)c1C(=O)[O-] ZINC001596037513 983321089 /nfs/dbraw/zinc/32/10/89/983321089.db2.gz PKFJSQMQEXKDDN-UHFFFAOYSA-N -1 0 344.402 3.775 20 0 EHADRM CCCc1cc(C(=O)NCCc2ccc(C(=O)[O-])cc2)ccc1Cl ZINC001596054902 983357383 /nfs/dbraw/zinc/35/73/83/983357383.db2.gz DVNGHZLJZZJHCL-UHFFFAOYSA-N -1 0 345.826 3.963 20 0 EHADRM CCCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(C)c2)cc1 ZINC001596060382 983368788 /nfs/dbraw/zinc/36/87/88/983368788.db2.gz FOUWPRLIPQXSBA-GOSISDBHSA-N -1 0 325.408 3.893 20 0 EHADRM CCCc1ccc(C(=O)CCC(=O)Oc2cccc(C(=O)[O-])c2)cc1 ZINC001596060659 983369709 /nfs/dbraw/zinc/36/97/09/983369709.db2.gz OUPCYELBPKSBFN-UHFFFAOYSA-N -1 0 340.375 3.906 20 0 EHADRM CCCc1sc(C(=O)OCc2cccc(C(=O)[O-])n2)cc1CC ZINC001596105496 983429442 /nfs/dbraw/zinc/42/94/42/983429442.db2.gz CPZJHSRDCRDMGY-UHFFFAOYSA-N -1 0 333.409 3.713 20 0 EHADRM CCCn1cc([C@@H](C)Nc2cccc3cc(C(=O)[O-])sc32)nn1 ZINC001596113405 983442781 /nfs/dbraw/zinc/44/27/81/983442781.db2.gz GSLVBEXDPXRQJS-SNVBAGLBSA-N -1 0 330.413 3.774 20 0 EHADRM CCCn1ncc(C(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)c1C ZINC001596120964 983457145 /nfs/dbraw/zinc/45/71/45/983457145.db2.gz MQBXFGABYREDNI-INIZCTEOSA-N -1 0 349.475 3.535 20 0 EHADRM CCN(C(=O)CCc1cccc(OC2CCCC2)c1)C(C)(C)C(=O)[O-] ZINC001596140124 983493165 /nfs/dbraw/zinc/49/31/65/983493165.db2.gz UFFPESLYCKUISB-UHFFFAOYSA-N -1 0 347.455 3.652 20 0 EHADRM CCN(C(=O)Nc1cc(C(=O)[O-])sc1C)c1cccc(OC)c1 ZINC001596150069 983509229 /nfs/dbraw/zinc/50/92/29/983509229.db2.gz BALOHRHHZMZWGF-UHFFFAOYSA-N -1 0 334.397 3.822 20 0 EHADRM CCN(C(=O)c1ccc(-c2ccccc2)[nH]1)c1ncc(C(=O)[O-])s1 ZINC001596165554 983530149 /nfs/dbraw/zinc/53/01/49/983530149.db2.gz SOZRTGWCMCKBAI-UHFFFAOYSA-N -1 0 341.392 3.503 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)NCCCCCCC(=O)[O-] ZINC001596364750 983852900 /nfs/dbraw/zinc/85/29/00/983852900.db2.gz BSNWLYCHMUFALX-UHFFFAOYSA-N -1 0 346.880 3.968 20 0 EHADRM CCN(Cc1ccccc1Cl)C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001596371686 983872212 /nfs/dbraw/zinc/87/22/12/983872212.db2.gz HFQKDTCWVRAJPM-BQYQJAHWSA-N -1 0 333.771 3.693 20 0 EHADRM CCOC(=O)/C=C/c1ccc(NCc2ccc(C(=O)[O-])cc2F)cc1 ZINC001596586652 984516533 /nfs/dbraw/zinc/51/65/33/984516533.db2.gz HCSLSNIGBRQZTQ-BJMVGYQFSA-N -1 0 343.354 3.712 20 0 EHADRM C/C(=C/C(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-])c1ccccc1C ZINC001588933333 984612332 /nfs/dbraw/zinc/61/23/32/984612332.db2.gz RASLFFCWBKCTPE-VZVUQDNOSA-N -1 0 337.419 3.900 20 0 EHADRM C/C(=C\C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1)c1cccs1 ZINC001588944927 984651131 /nfs/dbraw/zinc/65/11/31/984651131.db2.gz HBISLWFUKSWMSF-VQHVLOKHSA-N -1 0 336.438 3.609 20 0 EHADRM C/C(=C\C(=O)Nc1cccnc1SCCC(=O)[O-])c1cccs1 ZINC001588947578 984660416 /nfs/dbraw/zinc/66/04/16/984660416.db2.gz ZRXFRCBUNQTEOR-ZHACJKMWSA-N -1 0 348.449 3.752 20 0 EHADRM C/C(=C/C(=O)O[C@@H](C(=O)[O-])C1CC1)c1cccc(C(F)(F)F)c1 ZINC001588952928 984689571 /nfs/dbraw/zinc/68/95/71/984689571.db2.gz FCDRBFGEZMHGFF-IUCKJTJTSA-N -1 0 328.286 3.515 20 0 EHADRM C/C(=C\C1CCC(C)CC1)COC(=O)CCc1ocnc1C(=O)[O-] ZINC001588956677 984707704 /nfs/dbraw/zinc/70/77/04/984707704.db2.gz XKYYFUVPVOGWPM-UKTHLTGXSA-N -1 0 335.400 3.621 20 0 EHADRM C[C@H](NC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1)C1CCCCCC1 ZINC001599893192 984721357 /nfs/dbraw/zinc/72/13/57/984721357.db2.gz BGRODEFRXFTLPL-JNAXZKDPSA-N -1 0 329.440 3.720 20 0 EHADRM C[C@H](OC(=O)C12CC(C(F)(F)F)(C1)C2)c1ccc(C(=O)[O-])cc1 ZINC001599904555 984905708 /nfs/dbraw/zinc/90/57/08/984905708.db2.gz BOYRSNXXICXVBJ-RAXBXGLRSA-N -1 0 328.286 3.722 20 0 EHADRM C[C@H](Oc1ccc(Cl)cc1)C(=O)OCc1ccc(C(=O)[O-])s1 ZINC001599905652 984919138 /nfs/dbraw/zinc/91/91/38/984919138.db2.gz ACHXGJDACIZGBH-VIFPVBQESA-N -1 0 340.784 3.610 20 0 EHADRM C/C(=C\c1c(Cl)cccc1Cl)C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001588995951 984931031 /nfs/dbraw/zinc/93/10/31/984931031.db2.gz XQIYJMNUGHLXRZ-DJYGCBNOSA-N -1 0 340.206 3.686 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)Oc1cc(C(=O)[O-])cc(F)c1C ZINC001588998055 984932665 /nfs/dbraw/zinc/93/26/65/984932665.db2.gz GDRZRYKEEIXAKO-JXMROGBWSA-N -1 0 332.302 3.980 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001588999449 984937760 /nfs/dbraw/zinc/93/77/60/984937760.db2.gz VJIYTLDPHVOLSX-ISBHARSQSA-N -1 0 333.403 3.626 20 0 EHADRM C[C@H]1CC[C@@](C)(C(=O)N2CCOc3c(cccc3C(=O)[O-])C2)C1(C)C ZINC001599908189 984950224 /nfs/dbraw/zinc/95/02/24/984950224.db2.gz OKJBAGYAWGBUDT-RBZFPXEDSA-N -1 0 345.439 3.568 20 0 EHADRM C/C(=C\c1ccccn1)C(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-] ZINC001589006887 984972113 /nfs/dbraw/zinc/97/21/13/984972113.db2.gz XMSPBYXMHQFHOS-CMDGGOBGSA-N -1 0 334.734 3.614 20 0 EHADRM C/C(=C\c1nc(COc2cccc(C(=O)[O-])c2)no1)c1ccco1 ZINC001589010973 984985663 /nfs/dbraw/zinc/98/56/63/984985663.db2.gz NFVYRQOQMPGRCE-DHZHZOJOSA-N -1 0 326.308 3.500 20 0 EHADRM C[C@H]1CN(C(=O)C2(c3cccc(Cl)c3)CCCC2)C[C@]1(C)C(=O)[O-] ZINC001599915248 985046357 /nfs/dbraw/zinc/04/63/57/985046357.db2.gz SOEXOSKYCLCWGE-UGSOOPFHSA-N -1 0 349.858 3.721 20 0 EHADRM CC(=O)CCC(C)(C)C(=O)O[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001589034444 985069717 /nfs/dbraw/zinc/06/97/17/985069717.db2.gz CCRBQVXGRQONSB-CYBMUJFWSA-N -1 0 344.766 3.543 20 0 EHADRM CCO[C@@H](C(=O)Nc1sc(C)c(C)c1C(=O)[O-])C1CCCC1 ZINC001596767067 985176519 /nfs/dbraw/zinc/17/65/19/985176519.db2.gz UDJAIWPGCKRFGZ-CYBMUJFWSA-N -1 0 325.430 3.597 20 0 EHADRM CCO[C@@H](C(=O)Nc1ccc(Cl)cc1C(=O)[O-])c1ccccc1 ZINC001596767918 985183003 /nfs/dbraw/zinc/18/30/03/985183003.db2.gz QZAOTCXWHDAVCV-OAHLLOKOSA-N -1 0 333.771 3.755 20 0 EHADRM CCO[C@H](CC(=O)N1CCCCc2cc(C(=O)[O-])ccc21)C(C)C ZINC001596775149 985204083 /nfs/dbraw/zinc/20/40/83/985204083.db2.gz MLMNGIMJAMWNAJ-QGZVFWFLSA-N -1 0 333.428 3.505 20 0 EHADRM CCO[C@@H](C)c1ncc(C(=O)Nc2ccc(C(=O)[O-])cc2CC)s1 ZINC001596776915 985218245 /nfs/dbraw/zinc/21/82/45/985218245.db2.gz RJHUOMLLRQHMNG-JTQLQIEISA-N -1 0 348.424 3.754 20 0 EHADRM C[C@H]1CN(c2nc3ccccc3c(-c3ccccc3)n2)C[C@]1(C)C(=O)[O-] ZINC001599932192 985334578 /nfs/dbraw/zinc/33/45/78/985334578.db2.gz WSLDXBSICLMCNG-QKKBWIMNSA-N -1 0 347.418 3.844 20 0 EHADRM CCOC1CC(CSc2nc(C(F)(F)F)ccc2C(=O)[O-])C1 ZINC001596810419 985351125 /nfs/dbraw/zinc/35/11/25/985351125.db2.gz RCTLRLWFIGAVDN-UHFFFAOYSA-N -1 0 335.347 3.706 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cc(C(=O)[O-])cs2)CCc2ccc(F)cc21 ZINC001594477607 985500689 /nfs/dbraw/zinc/50/06/89/985500689.db2.gz JPPLWTHTEBEXGO-JTQLQIEISA-N -1 0 348.399 3.779 20 0 EHADRM CCO[C@@H]1C[C@@H](Nc2ccc(C(=O)[O-])cc2OC)C12CCCCC2 ZINC001596842808 985531906 /nfs/dbraw/zinc/53/19/06/985531906.db2.gz MXVYISVZHRXPCY-IAGOWNOFSA-N -1 0 333.428 3.933 20 0 EHADRM CCOC1CC2(C[C@@H]2C(=O)Nc2cccc3cc(C(=O)[O-])sc32)C1 ZINC001596848594 985569956 /nfs/dbraw/zinc/56/99/56/985569956.db2.gz CQJYKJSRBCKALY-BJCXPLBRSA-N -1 0 345.420 3.743 20 0 EHADRM Cc1[nH]c(C(=O)CSC[C@@H]2CCC(F)(F)C2)c(C)c1C(=O)[O-] ZINC001599949669 985586598 /nfs/dbraw/zinc/58/65/98/985586598.db2.gz NVFCFAPZNAOHLZ-SNVBAGLBSA-N -1 0 331.384 3.681 20 0 EHADRM Cc1[nH]c(C(=O)CSCc2ccc(N(C)C)cc2)c(C)c1C(=O)[O-] ZINC001599949761 985588936 /nfs/dbraw/zinc/58/89/36/985588936.db2.gz SOHHNWCRNXBPQZ-UHFFFAOYSA-N -1 0 346.452 3.512 20 0 EHADRM CCO[C@H]1CCCN(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)C1 ZINC001596854600 985598356 /nfs/dbraw/zinc/59/83/56/985598356.db2.gz DICTXTCVUJBVOO-ZDUSSCGKSA-N -1 0 348.424 3.632 20 0 EHADRM Cc1[nH]c(C(=O)N2CCC[C@H]2CCc2ccccc2)c(C)c1C(=O)[O-] ZINC001599951288 985611362 /nfs/dbraw/zinc/61/13/62/985611362.db2.gz VZGRBNORZPYFDU-INIZCTEOSA-N -1 0 340.423 3.567 20 0 EHADRM CC(=O)Nc1ccc(NC(=S)Nc2scc(C)c2C(=O)[O-])cc1 ZINC001589199360 985630415 /nfs/dbraw/zinc/63/04/15/985630415.db2.gz GLQCZNHWXPIBSV-UHFFFAOYSA-N -1 0 349.437 3.522 20 0 EHADRM Cc1[nH]c(C(=O)N[C@@H]2CCc3cccc4cccc2c43)c(C)c1C(=O)[O-] ZINC001599952800 985638045 /nfs/dbraw/zinc/63/80/45/985638045.db2.gz NBBLDXJBOURXFG-MRXNPFEDSA-N -1 0 348.402 3.900 20 0 EHADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN(C(C)C)[C@H](C)c1ccsc1 ZINC001599957681 985716905 /nfs/dbraw/zinc/71/69/05/985716905.db2.gz UXAJKNNVTVUKKO-GFCCVEGCSA-N -1 0 334.441 3.737 20 0 EHADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN(C(C)C)[C@@H](C)c1ccsc1 ZINC001599957682 985717543 /nfs/dbraw/zinc/71/75/43/985717543.db2.gz UXAJKNNVTVUKKO-LBPRGKRZSA-N -1 0 334.441 3.737 20 0 EHADRM CC(=O)[C@@H]1C[C@H](CC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C1(C)C ZINC001589230663 985776871 /nfs/dbraw/zinc/77/68/71/985776871.db2.gz BEBRPKONQUIUIN-MFKMUULPSA-N -1 0 337.803 3.618 20 0 EHADRM CC(=O)c1cc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c(C)nc1C ZINC001589257256 985900531 /nfs/dbraw/zinc/90/05/31/985900531.db2.gz BZENWBGOOMQZNB-UHFFFAOYSA-N -1 0 346.770 3.505 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CSc1nc(C)c(C2CC2)c(=O)[nH]1 ZINC001599966462 985914851 /nfs/dbraw/zinc/91/48/51/985914851.db2.gz XVDVKCVTPPKFJL-UHFFFAOYSA-N -1 0 336.438 3.728 20 0 EHADRM Cc1[nH]ccc1C(=O)N(C)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001599966794 985921637 /nfs/dbraw/zinc/92/16/37/985921637.db2.gz HFIDOHZYSRPLGN-CYBMUJFWSA-N -1 0 341.194 3.528 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2cc(F)cc(Cl)c2C(=O)[O-])s1 ZINC001589277423 985995601 /nfs/dbraw/zinc/99/56/01/985995601.db2.gz QPVMKXFQCUABOW-UHFFFAOYSA-N -1 0 341.747 3.694 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)cc1C ZINC001589278785 986000041 /nfs/dbraw/zinc/00/00/41/986000041.db2.gz ICOWGMJMZIWADU-UHFFFAOYSA-N -1 0 343.404 3.698 20 0 EHADRM CC(=O)c1ccc(NC(=O)NC[C@H](C(=O)[O-])C2CCCCC2)cc1C ZINC001589290067 986023589 /nfs/dbraw/zinc/02/35/89/986023589.db2.gz HNLXJUIFRRHCHP-KRWDZBQOSA-N -1 0 346.427 3.600 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N[C@H](C(=O)[O-])c1ccsc1 ZINC001599977906 986120032 /nfs/dbraw/zinc/12/00/32/986120032.db2.gz KOGFVVFWJMQJGU-ZDUSSCGKSA-N -1 0 349.408 3.966 20 0 EHADRM CC(C)c1[nH]c(CN2C[C@@H](C)OC[C@H]2c2ccccc2)cc1C(=O)[O-] ZINC001594536094 986150830 /nfs/dbraw/zinc/15/08/30/986150830.db2.gz PDEWKJZCOARQMD-KDOFPFPSSA-N -1 0 342.439 3.798 20 0 EHADRM CCON(CC1CCCCC1)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC001596964531 986170449 /nfs/dbraw/zinc/17/04/49/986170449.db2.gz WXJPPEQNSMLYPJ-UHFFFAOYSA-N -1 0 326.418 3.812 20 0 EHADRM C[C@@H]1CN(Cc2ccccc2CC(=O)[O-])c2cc(Cl)ccc2O1 ZINC001594546038 986214500 /nfs/dbraw/zinc/21/45/00/986214500.db2.gz YEPKHAYWJLDYNM-GFCCVEGCSA-N -1 0 331.799 3.755 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)C(C)(C)c1ccccc1 ZINC001597008944 986339395 /nfs/dbraw/zinc/33/93/95/986339395.db2.gz HIEBQJGWHLDSAY-UHFFFAOYSA-N -1 0 327.380 3.700 20 0 EHADRM CCOc1cc(C(=O)Nc2cc(F)cc(C(=O)[O-])c2F)ccc1C ZINC001597009184 986341262 /nfs/dbraw/zinc/34/12/62/986341262.db2.gz HUTCRBJZRXOMCC-UHFFFAOYSA-N -1 0 335.306 3.622 20 0 EHADRM CCOc1cc(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc(Cl)c1O ZINC001597009479 986343473 /nfs/dbraw/zinc/34/34/73/986343473.db2.gz MIXGSRJUJGAVAE-UHFFFAOYSA-N -1 0 349.770 3.703 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CCC2(CCC2)CC1 ZINC001597014874 986364044 /nfs/dbraw/zinc/36/40/44/986364044.db2.gz LHXPABWAUZVLII-UHFFFAOYSA-N -1 0 332.400 3.582 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CC[C@@H](CC(C)C)C1 ZINC001597015378 986365702 /nfs/dbraw/zinc/36/57/02/986365702.db2.gz OLTWPAKXSVKNPD-ZDUSSCGKSA-N -1 0 334.416 3.683 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@H](C)c1ccccc1 ZINC001597017231 986392545 /nfs/dbraw/zinc/39/25/45/986392545.db2.gz WBDFWWMJZGFPOK-GFCCVEGCSA-N -1 0 328.368 3.666 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NCC1CCC=CCC1 ZINC001597020552 986401912 /nfs/dbraw/zinc/40/19/12/986401912.db2.gz FLOIZBNOFYIKLI-UHFFFAOYSA-N -1 0 332.400 3.651 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NC[C@@H]1C[C@@H]1C1CCCC1 ZINC001597021620 986412321 /nfs/dbraw/zinc/41/23/21/986412321.db2.gz KWKGUCFBOWSCEM-LSDHHAIUSA-N -1 0 346.427 3.731 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1CC12CCCCC2 ZINC001597021896 986415305 /nfs/dbraw/zinc/41/53/05/986415305.db2.gz MIMPNZGCHOVKNA-OAHLLOKOSA-N -1 0 332.400 3.628 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1cc2c(cccc2F)[nH]1 ZINC001597022120 986418774 /nfs/dbraw/zinc/41/87/74/986418774.db2.gz LNOGQCZPIZQWIN-UHFFFAOYSA-N -1 0 342.326 3.656 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1ccc2ncsc2c1 ZINC001597025774 986432364 /nfs/dbraw/zinc/43/23/64/986432364.db2.gz NUFAVRKAFPMOSY-UHFFFAOYSA-N -1 0 342.376 3.646 20 0 EHADRM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1)C(C)(F)F ZINC001589380923 986461182 /nfs/dbraw/zinc/46/11/82/986461182.db2.gz JOAARHGVUQKXJY-SMDDNHRTSA-N -1 0 341.398 3.907 20 0 EHADRM C[C@H](C(=O)NC1(CC(=O)[O-])CCCC1)c1ccc2ccccc2c1 ZINC001589390444 986505173 /nfs/dbraw/zinc/50/51/73/986505173.db2.gz CFDBYDJISAEDER-AWEZNQCLSA-N -1 0 325.408 3.847 20 0 EHADRM CCOc1ccc(C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])cn1 ZINC001597062483 986557552 /nfs/dbraw/zinc/55/75/52/986557552.db2.gz ZKACMZLCTOFLKD-UHFFFAOYSA-N -1 0 348.424 3.790 20 0 EHADRM C[C@@H]1COc2ccccc2N1Cc1ccc(C(=O)[O-])c2cccnc12 ZINC001594610521 986600274 /nfs/dbraw/zinc/60/02/74/986600274.db2.gz QGLKSTCRCSOIKJ-CYBMUJFWSA-N -1 0 334.375 3.721 20 0 EHADRM C[C@H]1CSc2ccccc2N(C(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC001594612642 986611280 /nfs/dbraw/zinc/61/12/80/986611280.db2.gz SAQLSHQEFNILTB-CYBMUJFWSA-N -1 0 341.432 3.702 20 0 EHADRM C[C@H]1CSCC[N@@H+]([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC001594613578 986620514 /nfs/dbraw/zinc/62/05/14/986620514.db2.gz OSHRSYLXGHTYLW-NOZJJQNGSA-N -1 0 334.268 3.804 20 0 EHADRM CCOc1ccc(C[C@@H](C)C(=O)N(CC(=O)[O-])C2CCCCC2)cc1 ZINC001597082230 986633757 /nfs/dbraw/zinc/63/37/57/986633757.db2.gz BIPONJMSBURHNQ-OAHLLOKOSA-N -1 0 347.455 3.510 20 0 EHADRM CCOc1ccc(CC(=O)Nc2ccc(SC)c(C(=O)[O-])c2)cc1 ZINC001597082372 986635819 /nfs/dbraw/zinc/63/58/19/986635819.db2.gz LCZBSYIKOYQQGH-UHFFFAOYSA-N -1 0 345.420 3.687 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)Nc2ccc3c(c2)C[C@H](C)O3)c1 ZINC001594619307 986649852 /nfs/dbraw/zinc/64/98/52/986649852.db2.gz ZDKINVSEIRNJGC-NWDGAFQWSA-N -1 0 340.379 3.842 20 0 EHADRM CCOc1ccc(Cl)c(NC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)c1 ZINC001597106831 986751008 /nfs/dbraw/zinc/75/10/08/986751008.db2.gz UVFLGZMLLYRIFW-MNOVXSKESA-N -1 0 340.807 3.504 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(OCCC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001589437595 986758134 /nfs/dbraw/zinc/75/81/34/986758134.db2.gz FALMMGNLSHZCCT-GFCCVEGCSA-N -1 0 347.798 3.936 20 0 EHADRM CCOc1ccc(NC(=O)[C@H](C)Cc2ccccc2)c(C(=O)[O-])c1F ZINC001597120567 986813174 /nfs/dbraw/zinc/81/31/74/986813174.db2.gz WQMYKNYCRPDJQN-GFCCVEGCSA-N -1 0 345.370 3.740 20 0 EHADRM CCOc1ccc(NC(=O)c2cc3c(o2)CCCC3)c(C(=O)[O-])c1F ZINC001597123511 986825174 /nfs/dbraw/zinc/82/51/74/986825174.db2.gz TWNROVXJMUAXTL-UHFFFAOYSA-N -1 0 347.342 3.647 20 0 EHADRM C[C@@H]1OCC[C@H]1SCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001594648359 986853266 /nfs/dbraw/zinc/85/32/66/986853266.db2.gz IIVJXNZEDAEUOK-IINYFYTJSA-N -1 0 335.450 3.919 20 0 EHADRM C[C@H]1OCC[C@@H]1SCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001594648361 986854018 /nfs/dbraw/zinc/85/40/18/986854018.db2.gz IIVJXNZEDAEUOK-YGRLFVJLSA-N -1 0 335.450 3.919 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccc2c(c1)CCC=C2)c1ccccc1 ZINC001589461488 986911131 /nfs/dbraw/zinc/91/11/31/986911131.db2.gz FCNALVBWHJQULR-AUUYWEPGSA-N -1 0 335.403 3.838 20 0 EHADRM CCOc1cccc(Cl)c1CN1CCc2c(cccc2C(=O)[O-])C1 ZINC001597155206 986948196 /nfs/dbraw/zinc/94/81/96/986948196.db2.gz IDJPFWPREJDMFX-UHFFFAOYSA-N -1 0 345.826 3.995 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)CCc1cccc2ccccc21)C1CCC1 ZINC001589471853 986963092 /nfs/dbraw/zinc/96/30/92/986963092.db2.gz LBHJNOGKNVRFTK-AWEZNQCLSA-N -1 0 325.408 3.627 20 0 EHADRM C[C@@H]1c2cc(F)cc(F)c2CCN1Cc1ccc(C(=O)[O-])cc1F ZINC001594666168 986963597 /nfs/dbraw/zinc/96/35/97/986963597.db2.gz PORBTJZSRZIXSR-SNVBAGLBSA-N -1 0 335.325 3.921 20 0 EHADRM Cc1noc([C@@H](C)N(C)Cc2c(C(=O)[O-])sc3cccc(F)c32)n1 ZINC000579853560 1015269679 /nfs/dbraw/zinc/26/96/79/1015269679.db2.gz UNIZMZBULKYXPA-MRVPVSSYSA-N -1 0 349.387 3.623 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)CNc2cccc(Cl)c2)cc1 ZINC001589505216 987118948 /nfs/dbraw/zinc/11/89/48/987118948.db2.gz RFHNYBRXDLLRLI-NSHDSACASA-N -1 0 332.787 3.579 20 0 EHADRM CCC(=O)N(C)c1ccc(N[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC001594696773 987124655 /nfs/dbraw/zinc/12/46/55/987124655.db2.gz ZPXBEKFBUFGDIF-KRWDZBQOSA-N -1 0 346.814 3.951 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CCC(c3ccco3)CC2)cc1 ZINC001589510495 987135679 /nfs/dbraw/zinc/13/56/79/987135679.db2.gz UTILQLMKBKXRQT-CYBMUJFWSA-N -1 0 342.395 3.879 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CC=C(c3ccccc3)C2)cc1 ZINC001589510841 987137268 /nfs/dbraw/zinc/13/72/68/987137268.db2.gz WTGWGHQXGMNXDF-CQSZACIVSA-N -1 0 336.391 3.806 20 0 EHADRM CCC(=O)Nc1cccc(C(=O)Nc2ccc(CC)cc2C(=O)[O-])c1 ZINC001594713160 987180388 /nfs/dbraw/zinc/18/03/88/987180388.db2.gz HDGVBVNYOXCSSC-UHFFFAOYSA-N -1 0 340.379 3.548 20 0 EHADRM CCC(=O)c1cccc(NC(=O)NC2(CC(=O)[O-])CCCCC2)c1 ZINC001594722690 987215619 /nfs/dbraw/zinc/21/56/19/987215619.db2.gz WSUYMWBAGJTGDM-UHFFFAOYSA-N -1 0 332.400 3.578 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NCC2(c3ccc4c(c3)OCO4)CC2)c1 ZINC001589532532 987215714 /nfs/dbraw/zinc/21/57/14/987215714.db2.gz QYFQKQJEUWIGEO-CYBMUJFWSA-N -1 0 339.391 3.747 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)CNc2ccccc2Cl)c1 ZINC001589533179 987223335 /nfs/dbraw/zinc/22/33/35/987223335.db2.gz IIEBNSFOXIZSCB-LLVKDONJSA-N -1 0 332.787 3.579 20 0 EHADRM C[C@@H](C(=O)O[C@@H](C(=O)[O-])c1ccccc1Cl)c1cccc(F)c1 ZINC001589538861 987232732 /nfs/dbraw/zinc/23/27/32/987232732.db2.gz AHWGROLISRBPGF-MEBBXXQBSA-N -1 0 336.746 3.952 20 0 EHADRM CC[C@@H](C(=O)N(CC)C(C)(C)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001594728887 987237199 /nfs/dbraw/zinc/23/71/99/987237199.db2.gz BJZSVBAQVINYCT-CYBMUJFWSA-N -1 0 345.361 3.911 20 0 EHADRM CC[C@@H](C(=O)N(CCC(=O)[O-])C(C)C)c1cccc(C(F)(F)F)c1 ZINC001594729066 987239435 /nfs/dbraw/zinc/23/94/35/987239435.db2.gz DEUONVFPCOBHOB-CQSZACIVSA-N -1 0 345.361 3.911 20 0 EHADRM CC[C@@H](C(=O)N[C@H](CC(=O)[O-])c1cccc(C)c1)c1ccc(F)cc1 ZINC001594730127 987248635 /nfs/dbraw/zinc/24/86/35/987248635.db2.gz ZVJGEPJBWVLPRO-QZTJIDSGSA-N -1 0 343.398 3.960 20 0 EHADRM CC[C@@H](C(=O)NC[C@H](CC1CCCC1)C(=O)[O-])c1ccc(F)cc1 ZINC001594733930 987256205 /nfs/dbraw/zinc/25/62/05/987256205.db2.gz IGCPKJLPWXVEKV-DOTOQJQBSA-N -1 0 335.419 3.717 20 0 EHADRM CC[C@H](C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2)c1ccccc1 ZINC001594734729 987263811 /nfs/dbraw/zinc/26/38/11/987263811.db2.gz ARNQEMZKCKIQNX-LBPRGKRZSA-N -1 0 345.420 3.651 20 0 EHADRM CCSCC[C@@H](C)N(C)C(=O)Nc1ccc(CC)cc1C(=O)[O-] ZINC001597259197 987278202 /nfs/dbraw/zinc/27/82/02/987278202.db2.gz KQEAQEGTZJRGMS-GFCCVEGCSA-N -1 0 338.473 3.943 20 0 EHADRM CCSCc1ccccc1C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC001597264868 987292262 /nfs/dbraw/zinc/29/22/62/987292262.db2.gz AUSJIWQULAPMMA-UHFFFAOYSA-N -1 0 335.469 3.799 20 0 EHADRM CCSCc1cccnc1NCc1cc(C(=O)[O-])c2n1CCCC2 ZINC001597267827 987306190 /nfs/dbraw/zinc/30/61/90/987306190.db2.gz QHNQHAWSNQLFAJ-UHFFFAOYSA-N -1 0 345.468 3.783 20 0 EHADRM CCSc1ccc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cn1 ZINC001597271159 987317881 /nfs/dbraw/zinc/31/78/81/987317881.db2.gz WZDBWSZBAOSJCW-UHFFFAOYSA-N -1 0 330.409 3.761 20 0 EHADRM CCSc1ccc(CNC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001597272324 987320107 /nfs/dbraw/zinc/32/01/07/987320107.db2.gz DQBRIHAYOKTYRL-UHFFFAOYSA-N -1 0 333.384 3.566 20 0 EHADRM CCSc1cccc(-c2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)c1 ZINC001597272952 987325492 /nfs/dbraw/zinc/32/54/92/987325492.db2.gz MDEBSNZAYAZPDR-UHFFFAOYSA-N -1 0 346.433 3.770 20 0 EHADRM CC(C)(C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1)c1ccc(F)cc1 ZINC001589566810 987330582 /nfs/dbraw/zinc/33/05/82/987330582.db2.gz FZGMXPQNWNYFBM-MRXNPFEDSA-N -1 0 335.419 3.501 20 0 EHADRM CCSc1cccc(F)c1NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC001597277345 987335125 /nfs/dbraw/zinc/33/51/25/987335125.db2.gz MYZDAMNXLKTCTP-UHFFFAOYSA-N -1 0 333.384 3.817 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)N[C@H](C1CC1)C1CCC1)c1ccccc1 ZINC001589592804 987404156 /nfs/dbraw/zinc/40/41/56/987404156.db2.gz CHJFDDCIWWGYCV-IRXDYDNUSA-N -1 0 344.455 3.716 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)NC[C@@H]1C[C@H]1C1CCC1)c1ccccc1 ZINC001589593255 987407087 /nfs/dbraw/zinc/40/70/87/987407087.db2.gz GGMPRBQDIIGEGZ-ULQDDVLXSA-N -1 0 344.455 3.574 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)/C(F)=C/C2CCCCC2)C1 ZINC001589602726 987437808 /nfs/dbraw/zinc/43/78/08/987437808.db2.gz JDJCPJUWZBDMOW-XFNCEPBJSA-N -1 0 325.424 3.770 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001589611746 987467519 /nfs/dbraw/zinc/46/75/19/987467519.db2.gz VXAVPXPCJVYZCD-QINHECLXSA-N -1 0 329.440 3.530 20 0 EHADRM CCc1[nH]c(C(=O)N(C)[C@@H](C)c2ccccc2F)c(C)c1C(=O)[O-] ZINC001597354941 987499023 /nfs/dbraw/zinc/49/90/23/987499023.db2.gz SPKAZKJTKARNAK-NSHDSACASA-N -1 0 332.375 3.556 20 0 EHADRM CCc1[nH]c(C(=O)N(C)C(C)(C)c2ccccc2)c(C)c1C(=O)[O-] ZINC001597355049 987500938 /nfs/dbraw/zinc/50/09/38/987500938.db2.gz ZMZUYEBJFIWPPU-UHFFFAOYSA-N -1 0 328.412 3.591 20 0 EHADRM CCc1[nH]c(C(=O)NCCCc2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC001597368173 987547438 /nfs/dbraw/zinc/54/74/38/987547438.db2.gz MMYRXDIZEZGXSE-UHFFFAOYSA-N -1 0 348.830 3.600 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2c[nH]c(C(F)(F)F)c2)cc1 ZINC001589638453 987559632 /nfs/dbraw/zinc/55/96/32/987559632.db2.gz AMYYKUNJTYCTMK-UHFFFAOYSA-N -1 0 340.301 3.648 20 0 EHADRM O=C(c1c([O-])cc(Cl)cc1Cl)N1CCC[C@@H](OC2CCC2)C1 ZINC000655282788 1015317271 /nfs/dbraw/zinc/31/72/71/1015317271.db2.gz VGIFUPMLVUAEBF-GFCCVEGCSA-N -1 0 344.238 3.873 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(Nc2nc3ccccc3n3cncc23)cc1 ZINC001589641121 987562936 /nfs/dbraw/zinc/56/29/36/987562936.db2.gz KPJUMPDCQUVQRS-UHFFFAOYSA-N -1 0 346.390 3.988 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)c2nccc3ccsc32)c1 ZINC001589650637 987599213 /nfs/dbraw/zinc/59/92/13/987599213.db2.gz MKLMUFYCAYDYHL-UHFFFAOYSA-N -1 0 341.388 3.878 20 0 EHADRM CCc1[nH]c(CNc2ccc(OC(C)C)c(OC)c2)cc1C(=O)[O-] ZINC001597398144 987649276 /nfs/dbraw/zinc/64/92/76/987649276.db2.gz CCQMHDMORPSZFC-UHFFFAOYSA-N -1 0 332.400 3.683 20 0 EHADRM CCc1c(NC(=O)c2ccccc2C(=O)[O-])cnn1C(CC)CC ZINC001597419569 987724226 /nfs/dbraw/zinc/72/42/26/987724226.db2.gz DMSMUDMMVWESJK-UHFFFAOYSA-N -1 0 329.400 3.757 20 0 EHADRM CCc1c(NCc2cc(C)c(C(=O)[O-])[nH]2)cnn1-c1cccc(C)c1 ZINC001597420031 987729670 /nfs/dbraw/zinc/72/96/70/987729670.db2.gz UBEALMMVKFXRMM-UHFFFAOYSA-N -1 0 338.411 3.690 20 0 EHADRM CC(C)(C)C(C)(C)CNC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001589698581 987781078 /nfs/dbraw/zinc/78/10/78/987781078.db2.gz CUTYICHYMLJWOE-JKSUJKDBSA-N -1 0 346.471 3.569 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)[C@@H](OC)C2CCCCC2)s1 ZINC001597441285 987803866 /nfs/dbraw/zinc/80/38/66/987803866.db2.gz UUKRZRCQCVMCQS-ZDUSSCGKSA-N -1 0 325.430 3.543 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)c1cccc(SC(F)(F)F)c1 ZINC001589704189 987809047 /nfs/dbraw/zinc/80/90/47/987809047.db2.gz DOOPFLQNEUEWRY-NSHDSACASA-N -1 0 349.374 3.918 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)N2CCc3cc(F)ccc3C2)s1 ZINC001597443307 987809916 /nfs/dbraw/zinc/80/99/16/987809916.db2.gz MZFUEPOPUGWGGV-UHFFFAOYSA-N -1 0 348.399 3.738 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)N2CCC(F)(F)[C@@H](C)C2)s1 ZINC001597443683 987810932 /nfs/dbraw/zinc/81/09/32/987810932.db2.gz SBPWANNZPNVQIY-QMMMGPOBSA-N -1 0 332.372 3.518 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2ncccc2C(F)(F)F)s1 ZINC001597445245 987815711 /nfs/dbraw/zinc/81/57/11/987815711.db2.gz JEFBCZUISOSZCQ-UHFFFAOYSA-N -1 0 344.314 3.675 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)Cc1ccc(OC)cc1 ZINC001597449431 987832487 /nfs/dbraw/zinc/83/24/87/987832487.db2.gz CVNRKDACUYSLCJ-ZDUSSCGKSA-N -1 0 341.407 3.773 20 0 EHADRM CC(C)(C)[C@H](NC(=O)Nc1cc(C(=O)[O-])ccn1)c1cccc(F)c1 ZINC001589716568 987860615 /nfs/dbraw/zinc/86/06/15/987860615.db2.gz QGCQOJAUFGBZEH-OAHLLOKOSA-N -1 0 345.374 3.828 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC001589717254 987865727 /nfs/dbraw/zinc/86/57/27/987865727.db2.gz WIIJXIQIXSKRGA-HNNXBMFYSA-N -1 0 327.384 3.689 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCc1cccc(OC)c1C ZINC001597459464 987885659 /nfs/dbraw/zinc/88/56/59/987885659.db2.gz HTNNTQBTMWRGMF-UHFFFAOYSA-N -1 0 342.395 3.586 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCCc1c(F)cccc1F ZINC001597459607 987886352 /nfs/dbraw/zinc/88/63/52/987886352.db2.gz KHHQTTWMFZNCIH-UHFFFAOYSA-N -1 0 348.349 3.590 20 0 EHADRM CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001589728251 987928808 /nfs/dbraw/zinc/92/88/08/987928808.db2.gz GZIBLSQGMZRTMK-FJJZPOORSA-N -1 0 333.428 3.960 20 0 EHADRM CC(C)(C)[C@@H]1CCC[C@@](NC(=O)CCC(=O)[O-])(C(F)(F)F)CC1 ZINC001589728511 987934398 /nfs/dbraw/zinc/93/43/98/987934398.db2.gz NABJGJFEHDGZOX-ABAIWWIYSA-N -1 0 337.382 3.895 20 0 EHADRM CS[C@@H](c1nc(-c2ccc(C(=O)[O-])cc2)no1)c1ccccc1 ZINC001599787646 987951057 /nfs/dbraw/zinc/95/10/57/987951057.db2.gz UOQFFYIXEBHLST-CQSZACIVSA-N -1 0 326.377 3.887 20 0 EHADRM CC(C)(C)[C@@H]1CCc2nc(NC(=O)CCCCC(=O)[O-])sc2C1 ZINC001589732153 987956111 /nfs/dbraw/zinc/95/61/11/987956111.db2.gz LISDANRWVYEZDM-LLVKDONJSA-N -1 0 338.473 3.878 20 0 EHADRM CS[C@@H]1CCC[C@@H](NC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)C1 ZINC001599788758 987970700 /nfs/dbraw/zinc/97/07/00/987970700.db2.gz FYMQNHPKZPXYIR-ZYHUDNBSSA-N -1 0 347.440 3.662 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)C1(Cc2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC001589743194 988023811 /nfs/dbraw/zinc/02/38/11/988023811.db2.gz GQZCZKOHEIUHLF-AWEZNQCLSA-N -1 0 337.847 3.668 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)C1(Cc2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC001589743195 988023948 /nfs/dbraw/zinc/02/39/48/988023948.db2.gz GQZCZKOHEIUHLF-CQSZACIVSA-N -1 0 337.847 3.668 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)CCCc1ccc(C2CC2)cc1)C(=O)[O-] ZINC001589743674 988030446 /nfs/dbraw/zinc/03/04/46/988030446.db2.gz VFPPHFJFUQJGQX-QGZVFWFLSA-N -1 0 331.456 3.892 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)N[C@H]1CC=C(C(=O)[O-])C1)c1ccc(F)cc1 ZINC001589745574 988040809 /nfs/dbraw/zinc/04/08/09/988040809.db2.gz PDUIMBXFTCVVOO-JKSUJKDBSA-N -1 0 348.418 3.776 20 0 EHADRM CCc1ccc(C(=O)CCC(=O)OCc2ccc(C(=O)[O-])cc2)cc1 ZINC001597498472 988045337 /nfs/dbraw/zinc/04/53/37/988045337.db2.gz DFRZLELGUYWPLC-UHFFFAOYSA-N -1 0 340.375 3.654 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)c1ccnc(SC(C)(C)C)c1)C(=O)[O-] ZINC001589751836 988057703 /nfs/dbraw/zinc/05/77/03/988057703.db2.gz SIUAOXWTLBSDSA-GFCCVEGCSA-N -1 0 338.473 3.591 20 0 EHADRM CCc1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2F)cc1CC ZINC001597500951 988062390 /nfs/dbraw/zinc/06/23/90/988062390.db2.gz GEPWHLJRSHWLBB-UHFFFAOYSA-N -1 0 329.371 3.579 20 0 EHADRM CCc1ccc(C(=O)NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)cc1 ZINC001597501130 988065119 /nfs/dbraw/zinc/06/51/19/988065119.db2.gz UBVIFPRSDKWAIH-GOSISDBHSA-N -1 0 337.419 3.797 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)CCc1ccc2ccccc2n1)C(=O)[O-] ZINC001589759872 988078931 /nfs/dbraw/zinc/07/89/31/988078931.db2.gz FQPJWQZWNPGGCV-INIZCTEOSA-N -1 0 329.396 3.600 20 0 EHADRM CC(C)(C)C[C@H]1CCCN1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001589764589 988103843 /nfs/dbraw/zinc/10/38/43/988103843.db2.gz OYALHKOGZJHCRG-CQSZACIVSA-N -1 0 334.416 3.583 20 0 EHADRM CC(C)(C)CCNC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC001589777090 988141735 /nfs/dbraw/zinc/14/17/35/988141735.db2.gz QYJYZSUXIWUSBL-ZDUSSCGKSA-N -1 0 326.824 3.591 20 0 EHADRM CC(C)(C)Cc1ncc(C(=O)Oc2ccc(CC(=O)[O-])cc2)s1 ZINC001589793151 988183981 /nfs/dbraw/zinc/18/39/81/988183981.db2.gz RAQNKGGYXLVMQY-UHFFFAOYSA-N -1 0 333.409 3.578 20 0 EHADRM CCc1ccc(N(C(=O)c2cccc(CC(=O)[O-])c2)C(C)C)cc1 ZINC001597530542 988186685 /nfs/dbraw/zinc/18/66/85/988186685.db2.gz GQTCCECUFGENGW-UHFFFAOYSA-N -1 0 325.408 3.931 20 0 EHADRM CC(C)(C)N(Cc1ccccc1)C(=O)CNc1ccc(C(=O)[O-])cc1 ZINC001589796024 988192699 /nfs/dbraw/zinc/19/26/99/988192699.db2.gz LFGCAYSSKPBFIT-UHFFFAOYSA-N -1 0 340.423 3.624 20 0 EHADRM CSCc1ccc(NC(=O)NCC2(C(=O)[O-])CCCCC2)cc1 ZINC001599802222 988195819 /nfs/dbraw/zinc/19/58/19/988195819.db2.gz FRSVGPMEZWQEBP-UHFFFAOYSA-N -1 0 336.457 3.706 20 0 EHADRM CSCc1cccc(CNC(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC001599802986 988207772 /nfs/dbraw/zinc/20/77/72/988207772.db2.gz DNACSXWNAZVKNC-UHFFFAOYSA-N -1 0 344.436 3.878 20 0 EHADRM CSCc1cccc(NC(=O)NCC2(CC(=O)[O-])CCCC2)c1 ZINC001599803255 988212386 /nfs/dbraw/zinc/21/23/86/988212386.db2.gz SBWIJJHPFUTGFK-UHFFFAOYSA-N -1 0 336.457 3.706 20 0 EHADRM CCc1ccc(NC(=O)[C@H](C)c2ccc(F)c(F)c2)c(C(=O)[O-])c1 ZINC001597542417 988229644 /nfs/dbraw/zinc/22/96/44/988229644.db2.gz ASJKENUQTQLTPH-SNVBAGLBSA-N -1 0 333.334 3.968 20 0 EHADRM CCc1ccc(NC(=O)CCOc2ccccc2CC)c(C(=O)[O-])c1 ZINC001597542778 988234335 /nfs/dbraw/zinc/23/43/35/988234335.db2.gz LBVLDJIYAPYZQN-UHFFFAOYSA-N -1 0 341.407 3.917 20 0 EHADRM CCc1ccc(NC(=O)N(C)Cc2cc(F)cc(F)c2)c(C(=O)[O-])c1 ZINC001597544609 988242310 /nfs/dbraw/zinc/24/23/10/988242310.db2.gz GNCLBYZWDXDNLB-UHFFFAOYSA-N -1 0 348.349 3.889 20 0 EHADRM CSc1cc(C(=O)NC2(CCC(=O)[O-])CCCCC2)ccc1F ZINC001599806864 988269486 /nfs/dbraw/zinc/26/94/86/988269486.db2.gz XGLANYGAFBPULI-UHFFFAOYSA-N -1 0 339.432 3.845 20 0 EHADRM CCc1ccc(NC(=O)c2csc([C@@H]3CCCO3)n2)c(C(=O)[O-])c1 ZINC001597552326 988279846 /nfs/dbraw/zinc/27/98/46/988279846.db2.gz UGVOTERCNILQMG-AWEZNQCLSA-N -1 0 346.408 3.508 20 0 EHADRM CSc1cc(C)ccc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC001599807706 988282468 /nfs/dbraw/zinc/28/24/68/988282468.db2.gz SMCBKOIYWAZSLM-UHFFFAOYSA-N -1 0 329.421 3.986 20 0 EHADRM CSc1cc(C(=O)Oc2cc(C(=O)[O-])cc(F)c2C)ccc1F ZINC001599808324 988292366 /nfs/dbraw/zinc/29/23/66/988292366.db2.gz CYMAXUNHPUXLCZ-UHFFFAOYSA-N -1 0 338.331 3.913 20 0 EHADRM CC(C)(C)NC(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001589830523 988299224 /nfs/dbraw/zinc/29/92/24/988299224.db2.gz PPWZGKMVNOTZKK-UHFFFAOYSA-N -1 0 330.837 3.827 20 0 EHADRM CCc1ccc2ccccc2c1CNC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001597568388 988324069 /nfs/dbraw/zinc/32/40/69/988324069.db2.gz HNPRTNGCJTVPCK-UHFFFAOYSA-N -1 0 349.390 3.817 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)/C=C(/C)c2ccco2)cc1 ZINC001599810956 988333455 /nfs/dbraw/zinc/33/34/55/988333455.db2.gz KCPADOIYCZHHQF-KUGGDMIFSA-N -1 0 345.420 3.737 20 0 EHADRM CCc1ccc2nc(NC(=O)c3ccc(/C=C\C(=O)[O-])o3)sc2c1 ZINC001597570277 988341899 /nfs/dbraw/zinc/34/18/99/988341899.db2.gz CPSXKPWGXDMBKD-YVMONPNESA-N -1 0 342.376 3.802 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)Cc1c[nH]c2ccc(F)cc12 ZINC001597574013 988359297 /nfs/dbraw/zinc/35/92/97/988359297.db2.gz XSFYHFIFRVCNHX-UHFFFAOYSA-N -1 0 340.354 3.749 20 0 EHADRM CSc1ccc(CCCC(=O)N(C)C2(C(=O)[O-])CCCCC2)cc1 ZINC001599812691 988364803 /nfs/dbraw/zinc/36/48/03/988364803.db2.gz LRMKCMNESSHZAQ-UHFFFAOYSA-N -1 0 349.496 3.977 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)[C@@H](C)Oc1ccc(F)c(F)c1 ZINC001597576509 988365901 /nfs/dbraw/zinc/36/59/01/988365901.db2.gz MRIUAIHGQLAJNF-SNVBAGLBSA-N -1 0 349.333 3.631 20 0 EHADRM CSc1ccc(CCC(=O)O[C@@H](C)c2cc(C(=O)[O-])co2)cc1 ZINC001599812707 988366060 /nfs/dbraw/zinc/36/60/60/988366060.db2.gz NHNMMZDGURZGIF-NSHDSACASA-N -1 0 334.393 3.937 20 0 EHADRM CSc1ccc(CCCC(=O)Oc2ccc(CC(=O)[O-])cc2)cc1 ZINC001599812928 988370033 /nfs/dbraw/zinc/37/00/33/988370033.db2.gz OQXJZSLTJXCASQ-UHFFFAOYSA-N -1 0 344.432 3.964 20 0 EHADRM CCc1cccc(C)c1NC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001597578978 988377158 /nfs/dbraw/zinc/37/71/58/988377158.db2.gz OLUQNCSFMVRONH-SNVBAGLBSA-N -1 0 333.413 3.595 20 0 EHADRM CCc1cccc(C)c1NC(=O)N(C)c1ccc(OCC(=O)[O-])cc1 ZINC001597579201 988377831 /nfs/dbraw/zinc/37/78/31/988377831.db2.gz RWEUPXQCFRYFRJ-UHFFFAOYSA-N -1 0 342.395 3.689 20 0 EHADRM CCc1cccc(CC)c1NC(=O)[C@H](C)SCC(C)(C)C(=O)[O-] ZINC001597584755 988391665 /nfs/dbraw/zinc/39/16/65/988391665.db2.gz FAVBCHGDNICQPP-LBPRGKRZSA-N -1 0 337.485 3.982 20 0 EHADRM CSc1ccc(NC(=O)/C=C\c2ccc(C=O)cc2)cc1C(=O)[O-] ZINC001599815716 988420614 /nfs/dbraw/zinc/42/06/14/988420614.db2.gz GATDTCMTRFZJOP-TWGQIWQCSA-N -1 0 341.388 3.571 20 0 EHADRM CCc1cccc(NC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1 ZINC001597595636 988442969 /nfs/dbraw/zinc/44/29/69/988442969.db2.gz VJYIMHDKAJGCPS-ZWKOTPCHSA-N -1 0 338.407 3.581 20 0 EHADRM CSc1ccc(NC(=O)c2cccc3cc[nH]c32)cc1C(=O)[O-] ZINC001599817540 988452041 /nfs/dbraw/zinc/45/20/41/988452041.db2.gz MXCXRTOKUQMUIM-UHFFFAOYSA-N -1 0 326.377 3.840 20 0 EHADRM CSc1ccc(NC(=O)NCCc2ccc(C)cc2)cc1C(=O)[O-] ZINC001599818219 988465525 /nfs/dbraw/zinc/46/55/25/988465525.db2.gz BUTDGBBLSNDLFR-UHFFFAOYSA-N -1 0 344.436 3.779 20 0 EHADRM CSc1ccc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC001599819278 988482504 /nfs/dbraw/zinc/48/25/04/988482504.db2.gz NOPPYDOGURKQPL-CVEARBPZSA-N -1 0 342.420 3.843 20 0 EHADRM CSc1ccc(NC(=O)c2scnc2C(F)F)cc1C(=O)[O-] ZINC001599820742 988508939 /nfs/dbraw/zinc/50/89/39/988508939.db2.gz LAAJYFZJLREHFI-UHFFFAOYSA-N -1 0 344.364 3.753 20 0 EHADRM CSc1cccc(-c2noc(C34CCC(C(=O)[O-])(CC3)CC4)n2)n1 ZINC001599822380 988537144 /nfs/dbraw/zinc/53/71/44/988537144.db2.gz IRAAKRQAEMVIKJ-UHFFFAOYSA-N -1 0 345.424 3.530 20 0 EHADRM CSc1cccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)c1 ZINC001599822761 988543044 /nfs/dbraw/zinc/54/30/44/988543044.db2.gz WBGJIXJLCISCTD-OWCLPIDISA-N -1 0 333.453 3.514 20 0 EHADRM CSc1cccc(C)c1NC(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001599823643 988558613 /nfs/dbraw/zinc/55/86/13/988558613.db2.gz FXLJSDLZWWCTBO-UHFFFAOYSA-N -1 0 344.436 3.666 20 0 EHADRM CCc1ccsc1C(=O)N[C@]1(C(=O)[O-])CC[C@H](C)c2ccccc21 ZINC001597625733 988573976 /nfs/dbraw/zinc/57/39/76/988573976.db2.gz FSANMCWSBVHWQX-HXPMCKFVSA-N -1 0 343.448 3.918 20 0 EHADRM CSc1ccccc1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001599825338 988589073 /nfs/dbraw/zinc/58/90/73/988589073.db2.gz UCAMZGMHOSDFFB-HIFRSBDPSA-N -1 0 342.420 3.843 20 0 EHADRM CSc1ccsc1C(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001599826838 988610372 /nfs/dbraw/zinc/61/03/72/988610372.db2.gz ZWVBCMPEABIRAA-HNNXBMFYSA-N -1 0 327.471 3.623 20 0 EHADRM CSc1nc(Oc2ccc(C)c(C(=O)[O-])c2)cc(C(F)F)n1 ZINC001599828556 988635330 /nfs/dbraw/zinc/63/53/30/988635330.db2.gz VACJTLLNHGUMNT-UHFFFAOYSA-N -1 0 326.324 3.935 20 0 EHADRM CCc1nc(C(C)C)ccc1COC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001597652057 988697101 /nfs/dbraw/zinc/69/71/01/988697101.db2.gz IENCEXUWWKROFQ-HDJSIYSDSA-N -1 0 333.428 3.702 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 ZINC001599832916 988700912 /nfs/dbraw/zinc/70/09/12/988700912.db2.gz ULTMMSUEPXZFQW-JTQLQIEISA-N -1 0 334.322 3.617 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)/C(=C\c1cccc(Cl)c1)c1cccs1 ZINC001599833415 988707359 /nfs/dbraw/zinc/70/73/59/988707359.db2.gz IAPGTORNPSOSSL-HKLRHMNMSA-N -1 0 349.839 3.922 20 0 EHADRM C[C@@H](Nc1ncc(C(=O)[O-])cn1)c1cc(Cl)ccc1OC(F)F ZINC001599842055 988858476 /nfs/dbraw/zinc/85/84/76/988858476.db2.gz CHDMZDHRVWRAGG-SSDOTTSWSA-N -1 0 343.717 3.603 20 0 EHADRM CCc1nc2ccc(NC(=O)N3CCC[C@@](C)(C(=O)[O-])C3)cc2s1 ZINC001597691533 988885075 /nfs/dbraw/zinc/88/50/75/988885075.db2.gz PEGIMYONLJDBIF-QGZVFWFLSA-N -1 0 347.440 3.577 20 0 EHADRM CCc1noc([C@@H](C)SCc2cccc(C(=O)[O-])c2Cl)n1 ZINC001597740536 989088819 /nfs/dbraw/zinc/08/88/19/989088819.db2.gz AFOCBATWEUFTPV-MRVPVSSYSA-N -1 0 326.805 3.978 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN[C@@H](COC)c1cccc(Cl)c1 ZINC001597767183 989217114 /nfs/dbraw/zinc/21/71/14/989217114.db2.gz FYTXYKNNGKZOCY-AWEZNQCLSA-N -1 0 337.803 3.671 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN1Cc2ccc(OC)cc2C2(CC2)C1 ZINC001597767720 989224354 /nfs/dbraw/zinc/22/43/54/989224354.db2.gz SUHXLYUNBNIHPB-UHFFFAOYSA-N -1 0 341.407 3.596 20 0 EHADRM CCc1oc(CNc2cc(F)c(Cl)cc2OC)cc1C(=O)[O-] ZINC001597804489 989406307 /nfs/dbraw/zinc/40/63/07/989406307.db2.gz DMNLYJWLXTUIPF-UHFFFAOYSA-N -1 0 327.739 3.953 20 0 EHADRM CCc1oc2ccccc2c1C(=O)N(CC)c1ncc(C(=O)[O-])s1 ZINC001597804899 989408509 /nfs/dbraw/zinc/40/85/09/989408509.db2.gz OGFGRCRBCGBXMA-UHFFFAOYSA-N -1 0 344.392 3.817 20 0 EHADRM CCc1onc(-c2ccccc2Cl)c1C(=O)OCCCC(=O)[O-] ZINC001597811141 989431407 /nfs/dbraw/zinc/43/14/07/989431407.db2.gz XGQOADFIVUUOKZ-UHFFFAOYSA-N -1 0 337.759 3.579 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(F)c([O-])c(Cl)c2)CC2(CCCCC2)O1 ZINC000655379932 1015479255 /nfs/dbraw/zinc/47/92/55/1015479255.db2.gz BWSUZLYXOWUEEE-NSHDSACASA-N -1 0 341.810 3.749 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(F)cc(Cl)c2[O-])CC2(CCCCC2)O1 ZINC000655382931 1015489746 /nfs/dbraw/zinc/48/97/46/1015489746.db2.gz KLEWLDXYYCLBCJ-NSHDSACASA-N -1 0 341.810 3.749 20 0 EHADRM CCn1c(SCC2(C(=O)[O-])CCCC2)nnc1-c1cccs1 ZINC001597865360 989655675 /nfs/dbraw/zinc/65/56/75/989655675.db2.gz XCGYAAFBJKWKLD-UHFFFAOYSA-N -1 0 337.470 3.764 20 0 EHADRM CC(C)(C)OC(=O)c1ccc(CN[C@H](C(=O)[O-])c2cccs2)cc1 ZINC001590364048 989825227 /nfs/dbraw/zinc/82/52/27/989825227.db2.gz COVCKUONQPSKBG-HNNXBMFYSA-N -1 0 347.436 3.619 20 0 EHADRM CC(C)(C)OCCCC(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC001590382662 989900482 /nfs/dbraw/zinc/90/04/82/989900482.db2.gz ROMOIFCVMFMZMC-SFHVURJKSA-N -1 0 343.423 3.677 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)NC[C@@H](CC2CC2)C(=O)[O-])c1 ZINC001590398829 989932677 /nfs/dbraw/zinc/93/26/77/989932677.db2.gz QARWPIXQAOVSSZ-OAHLLOKOSA-N -1 0 348.443 3.624 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)Nc2cc(C(=O)[O-])ccc2F)c1 ZINC001590417024 989957786 /nfs/dbraw/zinc/95/77/86/989957786.db2.gz SFEPHAKVACWWFR-UHFFFAOYSA-N -1 0 331.343 3.954 20 0 EHADRM CC(C)(C)Oc1cccc(COc2cnc(Cl)cc2C(=O)[O-])n1 ZINC001590420680 989965850 /nfs/dbraw/zinc/96/58/50/989965850.db2.gz YKOADSBAJBLEQJ-UHFFFAOYSA-N -1 0 336.775 3.585 20 0 EHADRM CC[C@H](NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)c1ccc(C)cc1 ZINC000326867134 1015523068 /nfs/dbraw/zinc/52/30/68/1015523068.db2.gz XKIIEHYZKMZOAH-GHTZIAJQSA-N -1 0 339.435 3.995 20 0 EHADRM CC(C)(C)SCCCC(=O)Nc1ncc(C(=O)[O-])cc1Cl ZINC001590429591 989983580 /nfs/dbraw/zinc/98/35/80/989983580.db2.gz OGIPBTYOSYZAIS-UHFFFAOYSA-N -1 0 330.837 3.684 20 0 EHADRM COc1cccc(C[C@H](C)NC(=O)c2ccc3[n-]c(=S)oc3c2)c1 ZINC000073615729 1015525129 /nfs/dbraw/zinc/52/51/29/1015525129.db2.gz AJFIYGPYZHCCTI-NSHDSACASA-N -1 0 342.420 3.860 20 0 EHADRM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001590435033 989994186 /nfs/dbraw/zinc/99/41/86/989994186.db2.gz SDOXTGSUXITYCO-BRWVUGGUSA-N -1 0 325.408 3.764 20 0 EHADRM CC(C)(C)c1cc2cccnc2c(NC(=O)CCSCC(=O)[O-])c1 ZINC001590463021 990035954 /nfs/dbraw/zinc/03/59/54/990035954.db2.gz ANPCXTDHYZPNPV-UHFFFAOYSA-N -1 0 346.452 3.679 20 0 EHADRM CC(C)(C)c1cc(CN2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)no1 ZINC001590464035 990039523 /nfs/dbraw/zinc/03/95/23/990039523.db2.gz UPSYEQYQGHUAOP-NSHDSACASA-N -1 0 349.456 3.506 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)s1 ZINC001590472095 990042477 /nfs/dbraw/zinc/04/24/77/990042477.db2.gz IZFDNDJYTDHBSJ-ZDUSSCGKSA-N -1 0 345.420 3.538 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N[C@@](C)(CC(=O)[O-])c2cccnc2)s1 ZINC001590475750 990050758 /nfs/dbraw/zinc/05/07/58/990050758.db2.gz UVHKXHFWTRYYDM-SFHVURJKSA-N -1 0 346.452 3.561 20 0 EHADRM CN(C(=O)C12CCC(C(=O)[O-])(CC1)CC2)c1ccc(Cl)cc1F ZINC001597997212 990110083 /nfs/dbraw/zinc/11/00/83/990110083.db2.gz QUVCKWWLAOXGCD-UHFFFAOYSA-N -1 0 339.794 3.867 20 0 EHADRM CC(C)(C)c1ccc2[nH]c(C(=O)N3CCC[C@@]3(C)C(=O)[O-])cc2c1 ZINC001590500075 990113862 /nfs/dbraw/zinc/11/38/62/990113862.db2.gz AYHUWISBRGLTFO-IBGZPJMESA-N -1 0 328.412 3.545 20 0 EHADRM CC(C)(C)c1cnc(CN2CCc3ccccc3[C@@H]2C(=O)[O-])s1 ZINC001590515753 990130734 /nfs/dbraw/zinc/13/07/34/990130734.db2.gz FJFIXSCUTYDPQE-MRXNPFEDSA-N -1 0 330.453 3.625 20 0 EHADRM CN(C(=O)C[C@H]1OCc2cc(Cl)ccc21)c1ccccc1C(=O)[O-] ZINC001598010552 990176040 /nfs/dbraw/zinc/17/60/40/990176040.db2.gz JTBHFZNIRLIASX-MRXNPFEDSA-N -1 0 345.782 3.663 20 0 EHADRM CN(C(=O)CC[C@@H]1CCc2ccccc21)C1(C(=O)[O-])CCCCC1 ZINC001598013334 990193144 /nfs/dbraw/zinc/19/31/44/990193144.db2.gz VAVCJAOMXMPFPC-INIZCTEOSA-N -1 0 329.440 3.743 20 0 EHADRM CC(C)(C)c1ncc(CNc2cnc(C(=O)[O-])c(Cl)c2)s1 ZINC001590555966 990194017 /nfs/dbraw/zinc/19/40/17/990194017.db2.gz FTNZCXMGYYVLFV-UHFFFAOYSA-N -1 0 325.821 3.799 20 0 EHADRM CC(C)(C)c1n[nH]c(S[C@@H](C(=O)[O-])c2ccccc2Cl)n1 ZINC001590574741 990215438 /nfs/dbraw/zinc/21/54/38/990215438.db2.gz KUPOKSUSXFNDHA-SNVBAGLBSA-N -1 0 325.821 3.674 20 0 EHADRM CC(C)(CC(=O)[O-])C(=O)OCc1ccc(Br)cc1Cl ZINC001590624871 990305867 /nfs/dbraw/zinc/30/58/67/990305867.db2.gz AWCMTWARGCPNKQ-UHFFFAOYSA-N -1 0 349.608 3.647 20 0 EHADRM C[C@H]1CC[C@H](C(=O)N(C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)CC1 ZINC001598073018 990374621 /nfs/dbraw/zinc/37/46/21/990374621.db2.gz UTFUPIOYNWONGZ-YHAQOWFVSA-N -1 0 343.345 3.514 20 0 EHADRM CN(C(=O)c1cc(Cl)cc(C(F)(F)F)c1)C1(C(=O)[O-])CCCC1 ZINC001598077308 990382509 /nfs/dbraw/zinc/38/25/09/990382509.db2.gz HTNYYWTWDSSRFM-UHFFFAOYSA-N -1 0 349.736 3.828 20 0 EHADRM CC(C)(CCN1CCC[C@H](C(F)(F)F)[C@@H]1C(F)(F)F)C(=O)[O-] ZINC001590671297 990383323 /nfs/dbraw/zinc/38/33/23/990383323.db2.gz SKSFQGSKSDCRFD-DTWKUNHWSA-N -1 0 335.288 3.693 20 0 EHADRM CN(C(=O)c1ccsc1)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598095897 990447418 /nfs/dbraw/zinc/44/74/18/990447418.db2.gz ATXKHSQOXPYABR-GFCCVEGCSA-N -1 0 344.219 3.953 20 0 EHADRM CC(C)(CNC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)CC(=O)[O-] ZINC001590708368 990458621 /nfs/dbraw/zinc/45/86/21/990458621.db2.gz XNNKUKUMGBOFRS-STQMWFEESA-N -1 0 344.238 3.714 20 0 EHADRM CC(C)(CNC(=O)NCc1ccc(C(=O)[O-])s1)Cc1ccccc1 ZINC001590726394 990517444 /nfs/dbraw/zinc/51/74/44/990517444.db2.gz SFEHGPLQNNLRPL-UHFFFAOYSA-N -1 0 346.452 3.514 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc2c(c1)Cc1ccccc1-2)CC(=O)[O-] ZINC001590738229 990531515 /nfs/dbraw/zinc/53/15/15/990531515.db2.gz IUHMCFGUEVWTOH-UHFFFAOYSA-N -1 0 338.407 3.880 20 0 EHADRM CC(C)(CNc1ncc(C(=O)[O-])cc1C(F)(F)F)c1ccncc1 ZINC001590780180 990592444 /nfs/dbraw/zinc/59/24/44/990592444.db2.gz RFFIGYKDORBOMH-UHFFFAOYSA-N -1 0 339.317 3.583 20 0 EHADRM CC(C)(SCC(=O)NC1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC001590907353 990873257 /nfs/dbraw/zinc/87/32/57/990873257.db2.gz UDPFIJDUPYOXHF-UHFFFAOYSA-N -1 0 335.469 3.559 20 0 EHADRM CC(C)(c1ccccc1)C1(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC1 ZINC001590908920 990877861 /nfs/dbraw/zinc/87/78/61/990877861.db2.gz OGYQMNJWCMOPOW-JKSUJKDBSA-N -1 0 329.440 3.504 20 0 EHADRM CC(C)(c1noc(Cc2cccc(C(=O)[O-])c2)n1)c1cccc(F)c1 ZINC001590908979 990878981 /nfs/dbraw/zinc/87/89/81/990878981.db2.gz PSIQWTQHOWZGDJ-UHFFFAOYSA-N -1 0 340.354 3.824 20 0 EHADRM COc1cccc(SCc2nc(-c3ccc(C(=O)[O-])cc3)no2)c1 ZINC001599684363 990963341 /nfs/dbraw/zinc/96/33/41/990963341.db2.gz VJWGPQPLVHSLQB-UHFFFAOYSA-N -1 0 342.376 3.736 20 0 EHADRM COc1cccc(Sc2cc(C(F)(F)F)c(C(=O)[O-])cn2)c1 ZINC001599684346 990963853 /nfs/dbraw/zinc/96/38/53/990963853.db2.gz UCXJNWGLYDYXMW-UHFFFAOYSA-N -1 0 329.299 3.958 20 0 EHADRM COc1cccc([C@H](NC(=O)[C@H](C)CC2CCCCC2)C(=O)[O-])c1 ZINC001599686591 990997037 /nfs/dbraw/zinc/99/70/37/990997037.db2.gz IIQCNNQWRNJVBD-DYVFJYSZSA-N -1 0 333.428 3.544 20 0 EHADRM CC(C)[C@H](NC(=O)Nc1cccc(COC2CCCCC2)c1)C(=O)[O-] ZINC000579871238 1015603174 /nfs/dbraw/zinc/60/31/74/1015603174.db2.gz XTIXISNCTJWDCK-KRWDZBQOSA-N -1 0 348.443 3.767 20 0 EHADRM CC(C)[C@H](C(=O)NCc1ccccc1CC(=O)[O-])c1ccc(F)cc1 ZINC001590957736 991043368 /nfs/dbraw/zinc/04/33/68/991043368.db2.gz QPVZBWYYGWXQEO-IBGZPJMESA-N -1 0 343.398 3.509 20 0 EHADRM COc1cccc2c1[C@@H](C(=O)Nc1ccc(Cl)cc1C(=O)[O-])CC2 ZINC001599689483 991044287 /nfs/dbraw/zinc/04/42/87/991044287.db2.gz HQUFXOLGISVNQL-LBPRGKRZSA-N -1 0 345.782 3.715 20 0 EHADRM COc1cccc2c1[C@@H](C(=O)Nc1cc(C(=O)[O-])ccc1Cl)CC2 ZINC001599689773 991049014 /nfs/dbraw/zinc/04/90/14/991049014.db2.gz MSCVJJNEBWAKBS-LBPRGKRZSA-N -1 0 345.782 3.715 20 0 EHADRM COc1ccccc1-c1ccc(CNc2cccc(CC(=O)[O-])n2)cc1 ZINC001599691310 991073228 /nfs/dbraw/zinc/07/32/28/991073228.db2.gz CIJFUDDXCZRLGK-UHFFFAOYSA-N -1 0 348.402 3.996 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001590968625 991091097 /nfs/dbraw/zinc/09/10/97/991091097.db2.gz RVERZGKBXRKSSO-OAQYLSRUSA-N -1 0 339.435 3.906 20 0 EHADRM CC(C)[C@@H](Cc1ccc(F)cc1)[N@H+](C)Cc1nc(C(=O)[O-])cs1 ZINC001590993570 991213214 /nfs/dbraw/zinc/21/32/14/991213214.db2.gz OBYOFQRJBIHZMB-OAHLLOKOSA-N -1 0 336.432 3.680 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)NC[C@@H]1CCC=CCCC1 ZINC001598298076 991230622 /nfs/dbraw/zinc/23/06/22/991230622.db2.gz FXKIWPCCBAPLPN-CQSZACIVSA-N -1 0 345.443 3.709 20 0 EHADRM CC(C)[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)C1CC1 ZINC001591012859 991278833 /nfs/dbraw/zinc/27/88/33/991278833.db2.gz AXVJKODWQMRTKM-QGZVFWFLSA-N -1 0 345.443 3.541 20 0 EHADRM CC(C)[C@H](NC(=O)c1cc(C(=O)[O-])ccn1)c1ccccc1Cl ZINC001591019274 991303657 /nfs/dbraw/zinc/30/36/57/991303657.db2.gz UZLJHDVRJSUWLH-HNNXBMFYSA-N -1 0 332.787 3.560 20 0 EHADRM CN(C)c1ccc(Nc2ncc(C(=O)[O-])cc2C(F)(F)F)cc1F ZINC001598328864 991357560 /nfs/dbraw/zinc/35/75/60/991357560.db2.gz FAEVQRSSYRYLQI-UHFFFAOYSA-N -1 0 343.280 3.747 20 0 EHADRM CC(C)[C@H](SCc1ccccc1C(=O)[O-])C(=O)NCc1ccco1 ZINC001591051690 991452642 /nfs/dbraw/zinc/45/26/42/991452642.db2.gz GKYAXUVIRCCMAV-INIZCTEOSA-N -1 0 347.436 3.552 20 0 EHADRM CC(C)[C@H](c1ccccc1)N(C)C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001591052286 991458085 /nfs/dbraw/zinc/45/80/85/991458085.db2.gz OYFOWZKHFBFPIR-MRXNPFEDSA-N -1 0 327.384 3.641 20 0 EHADRM COc1ccccc1[C@@H]1C[C@H]1C(=O)Oc1ccc(Cl)cc1C(=O)[O-] ZINC001599719133 991506526 /nfs/dbraw/zinc/50/65/26/991506526.db2.gz RZFQKJPUTKRIPY-QWHCGFSZSA-N -1 0 346.766 3.756 20 0 EHADRM CC(C)C1(NC(=O)Nc2cccc(CSCCC(=O)[O-])c2)CC1 ZINC001591068424 991526351 /nfs/dbraw/zinc/52/63/51/991526351.db2.gz YQQIVCZXRBOEHG-UHFFFAOYSA-N -1 0 336.457 3.705 20 0 EHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C1 ZINC001591080963 991588782 /nfs/dbraw/zinc/58/87/82/991588782.db2.gz FXXMNJULXDDOIF-MNOVXSKESA-N -1 0 340.370 3.999 20 0 EHADRM CC(C)[C@@H]1CCCCN1C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001591088382 991621800 /nfs/dbraw/zinc/62/18/00/991621800.db2.gz HOTGOMYKRFAHGK-INIZCTEOSA-N -1 0 329.400 3.909 20 0 EHADRM CC(C)[C@@H]1CCCCN1C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001591089316 991632758 /nfs/dbraw/zinc/63/27/58/991632758.db2.gz VBWCVDAWFUHBPW-INIZCTEOSA-N -1 0 341.411 3.975 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)Nc2cc(C(=O)[O-])ccn2)c2ccccc21 ZINC001591092902 991651158 /nfs/dbraw/zinc/65/11/58/991651158.db2.gz GTSZENNFRLYXKN-AWEZNQCLSA-N -1 0 325.368 3.572 20 0 EHADRM CN(CC(=O)Nc1ccc(C(=O)[O-])c2ccccc12)Cc1ccccc1 ZINC001598397062 991668307 /nfs/dbraw/zinc/66/83/07/991668307.db2.gz NLEQXICHZXANLV-UHFFFAOYSA-N -1 0 348.402 3.609 20 0 EHADRM CC(C)[C@H]1N(C(=O)/C=C/c2cc(C(=O)[O-])co2)CC12CCCCC2 ZINC001591099956 991717196 /nfs/dbraw/zinc/71/71/96/991717196.db2.gz SPBOKWUSUAXYFG-DKRLNXSXSA-N -1 0 331.412 3.808 20 0 EHADRM CC(C)C[C@H](C(=O)Nc1[nH]cnc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001591121380 991795478 /nfs/dbraw/zinc/79/54/78/991795478.db2.gz UVQOODQYNZTRFK-LBPRGKRZSA-N -1 0 335.791 3.530 20 0 EHADRM CC(C)C[C@@H](C)C(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001591130106 991820859 /nfs/dbraw/zinc/82/08/59/991820859.db2.gz FYVFVBMYOUXVJV-MRVPVSSYSA-N -1 0 346.196 3.907 20 0 EHADRM CC(C)C[C@@H](C)C(=O)Oc1cc(Br)cc(C(=O)[O-])c1 ZINC001591133641 991833285 /nfs/dbraw/zinc/83/32/85/991833285.db2.gz JJBKEVHIGRUWJI-SECBINFHSA-N -1 0 329.190 3.735 20 0 EHADRM CC(C)C[C@H](C)OC(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001591138025 991851416 /nfs/dbraw/zinc/85/14/16/991851416.db2.gz OJUIDJQXOHTVLF-WFASDCNBSA-N -1 0 333.384 3.589 20 0 EHADRM CC(C)C[C@H](CNC(=O)CCCc1ccc(C2CC2)cc1)C(=O)[O-] ZINC001591149312 991890945 /nfs/dbraw/zinc/89/09/45/991890945.db2.gz WFRLVIRDJUZONY-GOSISDBHSA-N -1 0 331.456 3.750 20 0 EHADRM CN(CCC1CCCCC1)C(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001598471870 992037532 /nfs/dbraw/zinc/03/75/32/992037532.db2.gz FNVZZAQLAHTEEZ-YLJYHZDGSA-N -1 0 329.440 3.674 20 0 EHADRM CC(C)CC1CCN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CC1 ZINC001591207725 992044950 /nfs/dbraw/zinc/04/49/50/992044950.db2.gz XXWCYXWJSQKUMD-UHFFFAOYSA-N -1 0 340.370 3.953 20 0 EHADRM CC(C)CCN(C(=O)Nc1cccc(CC(=O)[O-])n1)C1CCCC1 ZINC001591240542 992132050 /nfs/dbraw/zinc/13/20/50/992132050.db2.gz XFKLOUWCJXNLHO-UHFFFAOYSA-N -1 0 333.432 3.531 20 0 EHADRM CN(CCCc1cc(-c2ccccc2)no1)c1cccc(C(=O)[O-])n1 ZINC001598482789 992177978 /nfs/dbraw/zinc/17/79/78/992177978.db2.gz DDABVLSYFGOIKS-UHFFFAOYSA-N -1 0 337.379 3.504 20 0 EHADRM CC(C)CN(C(=O)Cc1cccc2ccccc21)C(C)(C)C(=O)[O-] ZINC001591280730 992210109 /nfs/dbraw/zinc/21/01/09/992210109.db2.gz NLFMAMKBWUEQPR-UHFFFAOYSA-N -1 0 327.424 3.730 20 0 EHADRM CC(C)CN(C(=O)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12)C(C)(C)C(=O)[O-] ZINC001591281635 992217619 /nfs/dbraw/zinc/21/76/19/992217619.db2.gz VTARZDMCBCZAFS-NUEKZKHPSA-N -1 0 349.858 3.574 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)[C@H](C)c1c(Cl)cccc1Cl ZINC001591290906 992239775 /nfs/dbraw/zinc/23/97/75/992239775.db2.gz JRYAJOWLAFRQFN-SNVBAGLBSA-N -1 0 332.227 3.666 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)CCCc1cccc(C(F)(F)F)c1 ZINC001591290918 992240097 /nfs/dbraw/zinc/24/00/97/992240097.db2.gz JXGXGXSBXBVFPK-UHFFFAOYSA-N -1 0 345.361 3.597 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)C1(Cc2ccc(Cl)cc2)CC1 ZINC001591321572 992288201 /nfs/dbraw/zinc/28/82/01/992288201.db2.gz ATTAZUNIRFQERE-UHFFFAOYSA-N -1 0 337.847 3.622 20 0 EHADRM CS[C@@H](C)CCC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001599782458 992383058 /nfs/dbraw/zinc/38/30/58/992383058.db2.gz CDDVSAAYXWQSCP-NSHDSACASA-N -1 0 325.430 3.642 20 0 EHADRM CS[C@@H](C)CCC(=O)Nc1cc(Br)ccc1C(=O)[O-] ZINC001599782628 992385124 /nfs/dbraw/zinc/38/51/24/992385124.db2.gz HAKIQPNRWOBYJZ-QMMMGPOBSA-N -1 0 346.246 3.618 20 0 EHADRM CC(C)COc1ccc([C@@H](C)OC(=O)c2csc(C(=O)[O-])n2)cc1 ZINC001591401724 992475994 /nfs/dbraw/zinc/47/59/94/992475994.db2.gz PSOFQFFLCSJKGK-LLVKDONJSA-N -1 0 349.408 3.794 20 0 EHADRM CC(C)COc1ncccc1-c1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC001591414466 992490241 /nfs/dbraw/zinc/49/02/41/992490241.db2.gz IXGFCECEEALOMX-UHFFFAOYSA-N -1 0 339.351 3.532 20 0 EHADRM CC(C)C[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1)C(=O)[O-] ZINC001591463270 992578913 /nfs/dbraw/zinc/57/89/13/992578913.db2.gz ZHZXITRWPRRQIO-HNNXBMFYSA-N -1 0 334.803 3.564 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)c1 ZINC001591488258 992615993 /nfs/dbraw/zinc/61/59/93/992615993.db2.gz DJNOIHSTIKATMA-KYJSFNMBSA-N -1 0 331.456 3.748 20 0 EHADRM CN(Cc1cccc(C(=O)[O-])n1)Cc1ccc(Cl)cc1Cl ZINC001598526683 992729006 /nfs/dbraw/zinc/72/90/06/992729006.db2.gz BBAQBKMWATZBJJ-UHFFFAOYSA-N -1 0 325.195 3.719 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC001591575646 992787402 /nfs/dbraw/zinc/78/74/02/992787402.db2.gz LFGMMMYGLXJKHD-TZMCWYRMSA-N -1 0 341.810 3.684 20 0 EHADRM CN(Cc1cscn1)C(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001598536458 992845156 /nfs/dbraw/zinc/84/51/56/992845156.db2.gz XCIJGKRSASHXGM-UHFFFAOYSA-N -1 0 347.421 3.720 20 0 EHADRM CN(Cc1nnc(-c2ccccc2)s1)c1ccccc1C(=O)[O-] ZINC001598539581 992884002 /nfs/dbraw/zinc/88/40/02/992884002.db2.gz OUMADZPNNVCGCK-UHFFFAOYSA-N -1 0 325.393 3.540 20 0 EHADRM CN(Cc1occc1C(=O)[O-])c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001598542418 992917094 /nfs/dbraw/zinc/91/70/94/992917094.db2.gz ZIYTWSNTKSFPJX-UHFFFAOYSA-N -1 0 346.383 3.961 20 0 EHADRM COc1ccc(NC(=O)CCSCc2ccccc2C(=O)[O-])cc1 ZINC001599591339 993687059 /nfs/dbraw/zinc/68/70/59/993687059.db2.gz SZLBYAJCYSOMEF-UHFFFAOYSA-N -1 0 345.420 3.655 20 0 EHADRM C[C@H](NC(=O)NCCCCCCC(=O)[O-])C(C)(C)c1ccccc1 ZINC001593094475 993713225 /nfs/dbraw/zinc/71/32/25/993713225.db2.gz KFMKFHRIQOZSTM-HNNXBMFYSA-N -1 0 334.460 3.687 20 0 EHADRM COc1ccc(NC(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)cc1 ZINC001599594064 993725716 /nfs/dbraw/zinc/72/57/16/993725716.db2.gz KKPLFJBVXJGJJK-UHFFFAOYSA-N -1 0 338.722 3.830 20 0 EHADRM COc1ccc(OC(F)F)c(N[C@H](C)CC(C)(C)CC(=O)[O-])c1 ZINC001599600899 993814073 /nfs/dbraw/zinc/81/40/73/993814073.db2.gz XLDCKCZCOPZLDN-SNVBAGLBSA-N -1 0 331.359 3.988 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])nc1)c1cccc(C2CC2)c1 ZINC001593118065 993822884 /nfs/dbraw/zinc/82/28/84/993822884.db2.gz ZPXPNXYJCDRFPU-LLVKDONJSA-N -1 0 325.368 3.540 20 0 EHADRM C[C@H](NC(=O)Nc1ccccc1C(F)F)c1ncc(C(=O)[O-])s1 ZINC001593125447 993863676 /nfs/dbraw/zinc/86/36/76/993863676.db2.gz ZIKUXZQQFLVHBN-ZETCQYMHSA-N -1 0 341.339 3.662 20 0 EHADRM COc1ccc(OCc2c(Cl)cccc2C(=O)[O-])cc1C(C)=O ZINC001599606857 993898148 /nfs/dbraw/zinc/89/81/48/993898148.db2.gz OFFUCNFWBCATIM-UHFFFAOYSA-N -1 0 334.755 3.828 20 0 EHADRM C[C@H](NC(=O)c1cccc2ccccc21)c1ccc(OCC(=O)[O-])cc1 ZINC001593176204 994053598 /nfs/dbraw/zinc/05/35/98/994053598.db2.gz OGAFEKIZHAIZRC-AWEZNQCLSA-N -1 0 349.386 3.794 20 0 EHADRM COc1ccc([C@@H](C)OC(=O)c2ccc(/C=C/C(=O)[O-])o2)cc1C ZINC001599620431 994073560 /nfs/dbraw/zinc/07/35/60/994073560.db2.gz PGQBBRALVWKAQZ-UVMWJGKXSA-N -1 0 330.336 3.612 20 0 EHADRM COc1ccc2[nH]c3c(c2c1)C[C@H](Nc1cccc(C(=O)[O-])c1)CC3 ZINC001599623888 994121235 /nfs/dbraw/zinc/12/12/35/994121235.db2.gz VYWVNGHKMSDFSY-CQSZACIVSA-N -1 0 336.391 3.844 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=S)N[C@@H](C)c2ccccc2)cc1 ZINC001593190964 994129887 /nfs/dbraw/zinc/12/98/87/994129887.db2.gz ZRFKNWRAQNLPOE-OLZOCXBDSA-N -1 0 328.437 3.922 20 0 EHADRM C[C@@H](N[C@H](C(=O)[O-])c1ccccc1Cl)c1cc2cnccc2o1 ZINC001593195617 994149509 /nfs/dbraw/zinc/14/95/09/994149509.db2.gz RZFYZSAEDOLMSI-HWPZZCPQSA-N -1 0 330.771 3.958 20 0 EHADRM COc1ccc2c(c1)CC[C@@H](C(=O)Nc1scc(C)c1C(=O)[O-])C2 ZINC001599626846 994161441 /nfs/dbraw/zinc/16/14/41/994161441.db2.gz MQYFESSOUZMTFP-CYBMUJFWSA-N -1 0 345.420 3.507 20 0 EHADRM C[C@@H](N[C@@H](C)c1ccc(Br)cn1)c1cc(C(=O)[O-])co1 ZINC001593198526 994173193 /nfs/dbraw/zinc/17/31/93/994173193.db2.gz SDXFPURHZFAVES-DTWKUNHWSA-N -1 0 339.189 3.547 20 0 EHADRM COc1ccc2c(c1)CCCN2C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001599628413 994181925 /nfs/dbraw/zinc/18/19/25/994181925.db2.gz QUNIOCHBRWUHBP-UHFFFAOYSA-N -1 0 344.342 3.517 20 0 EHADRM C[C@@H](N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccc(OC(F)F)cc1 ZINC001593205155 994209467 /nfs/dbraw/zinc/20/94/67/994209467.db2.gz YFCMLQHVOMMOKN-BDAKNGLRSA-N -1 0 342.367 3.855 20 0 EHADRM COc1ccc2c(c1)[C@@H](NC(=O)Nc1cc(C(=O)[O-])cs1)CCC2 ZINC001599632031 994233141 /nfs/dbraw/zinc/23/31/41/994233141.db2.gz QXHIZIYBJANQNG-AWEZNQCLSA-N -1 0 346.408 3.654 20 0 EHADRM COc1ccc2cc(NC(=O)NCC3(C(=O)[O-])CCCC3)ccc2c1 ZINC001599634301 994264064 /nfs/dbraw/zinc/26/40/64/994264064.db2.gz HVXCMSURIIDLOJ-UHFFFAOYSA-N -1 0 342.395 3.615 20 0 EHADRM COc1ccc2cc(NC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)ccc2c1 ZINC001599634339 994265020 /nfs/dbraw/zinc/26/50/20/994265020.db2.gz JTKODGILEWWAIK-INIZCTEOSA-N -1 0 344.411 3.859 20 0 EHADRM O=C(NC1(c2cccc(Cl)c2)CC1)c1cc(F)c(F)c([O-])c1F ZINC000180058271 1015847663 /nfs/dbraw/zinc/84/76/63/1015847663.db2.gz KPDBLECDVYQWOT-UHFFFAOYSA-N -1 0 341.716 3.882 20 0 EHADRM COc1ccc2ccccc2c1CNC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001599635729 994284557 /nfs/dbraw/zinc/28/45/57/994284557.db2.gz QCKBMONEIPRDOR-UHFFFAOYSA-N -1 0 349.386 3.785 20 0 EHADRM COc1ccc2cccc(CC(=O)Nc3ccsc3C(=O)[O-])c2c1 ZINC001599635695 994284723 /nfs/dbraw/zinc/28/47/23/994284723.db2.gz DKIWYZAVSQVTNR-UHFFFAOYSA-N -1 0 341.388 3.789 20 0 EHADRM C[C@H](NC[C@@H](OC1CCCC1)C(F)(F)F)c1cc(C(=O)[O-])co1 ZINC001593246318 994449224 /nfs/dbraw/zinc/44/92/24/994449224.db2.gz JXQISJYEJOIXSK-TVQRCGJNSA-N -1 0 335.322 3.519 20 0 EHADRM COc1cccc([C@@H](C(=O)[O-])N(C)Cc2ccsc2Cl)c1 ZINC001599651307 994505872 /nfs/dbraw/zinc/50/58/72/994505872.db2.gz WNVNAJHSHCUSIC-ZDUSSCGKSA-N -1 0 325.817 3.668 20 0 EHADRM COc1cccc(/C(C)=C/C(=O)Nc2scc(C(=O)[O-])c2C)c1 ZINC001599654115 994550757 /nfs/dbraw/zinc/55/07/57/994550757.db2.gz HABOGBPRDGYEGR-JXMROGBWSA-N -1 0 331.393 3.805 20 0 EHADRM COc1cccc(/C(C)=C/C(=O)Nc2ccc(F)cc2C(=O)[O-])c1 ZINC001599654158 994550797 /nfs/dbraw/zinc/55/07/97/994550797.db2.gz ISRTVCPTPWWZDA-DHZHZOJOSA-N -1 0 329.327 3.575 20 0 EHADRM COc1cccc([C@H](C)CC(=O)O[C@@H](C)c2cc(C(=O)[O-])co2)c1 ZINC001599654981 994563598 /nfs/dbraw/zinc/56/35/98/994563598.db2.gz GLEKPGAEKFBYPH-NEPJUHHUSA-N -1 0 332.352 3.784 20 0 EHADRM C[C@](NCc1c(F)cccc1Cl)(C(=O)[O-])c1ccc(F)cc1 ZINC001593285398 994635362 /nfs/dbraw/zinc/63/53/62/994635362.db2.gz DKZAORPXLBZXLW-MRXNPFEDSA-N -1 0 325.742 3.708 20 0 EHADRM COc1cccc([C@H](Sc2nc3ccc(F)cc3o2)C(=O)[O-])c1 ZINC001599660889 994655001 /nfs/dbraw/zinc/65/50/01/994655001.db2.gz HXHCFFHWQHCIST-AWEZNQCLSA-N -1 0 333.340 3.894 20 0 EHADRM C[C@@H](NCc1ccc(OC(C)(C)C)cc1)c1ncc(C(=O)[O-])s1 ZINC001593297840 994706431 /nfs/dbraw/zinc/70/64/31/994706431.db2.gz AJKZMRWADDOEMB-LLVKDONJSA-N -1 0 334.441 3.869 20 0 EHADRM COc1cccc(CC(=O)Nc2c(C)cc(Cl)cc2C(=O)[O-])c1 ZINC001599664482 994707760 /nfs/dbraw/zinc/70/77/60/994707760.db2.gz ICPOFCRRBJCLDX-UHFFFAOYSA-N -1 0 333.771 3.536 20 0 EHADRM COc1cccc(CC(=O)O[C@H]2CCCc3cc(C(=O)[O-])ccc32)c1 ZINC001599665297 994719486 /nfs/dbraw/zinc/71/94/86/994719486.db2.gz IWBYTSZXAWAULM-SFHVURJKSA-N -1 0 340.375 3.557 20 0 EHADRM COc1cccc([C@H]2C[C@@H]2C(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001599667222 994750446 /nfs/dbraw/zinc/75/04/46/994750446.db2.gz YKUSAQXEXRFHHP-CABCVRRESA-N -1 0 346.766 3.756 20 0 EHADRM C[C@](NCc1nc2ccccc2s1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593316206 994809473 /nfs/dbraw/zinc/80/94/73/994809473.db2.gz FWUYCXZBFAIIBW-QGZVFWFLSA-N -1 0 330.384 3.525 20 0 EHADRM C[C@@](NCc1ncc(-c2ccccc2)s1)(C(=O)[O-])c1ccccc1 ZINC001593317881 994825165 /nfs/dbraw/zinc/82/51/65/994825165.db2.gz WEIYDXJTCVJIPO-IBGZPJMESA-N -1 0 338.432 3.900 20 0 EHADRM CNc1ccc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c(Cl)c1 ZINC001598679010 994896140 /nfs/dbraw/zinc/89/61/40/994896140.db2.gz ZMVOKZARKKMWJW-ZBEGNZNMSA-N -1 0 346.814 3.574 20 0 EHADRM COc1cccc(Cl)c1CC(=O)Nc1c(C)csc1C(=O)[O-] ZINC001599677880 994928494 /nfs/dbraw/zinc/92/84/94/994928494.db2.gz YXJQHSVYDLZRSK-UHFFFAOYSA-N -1 0 339.800 3.598 20 0 EHADRM CO/C(=C\c1ccccc1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001598684862 994990865 /nfs/dbraw/zinc/99/08/65/994990865.db2.gz POEOGJZBDRSROT-LGMDPLHJSA-N -1 0 339.391 3.675 20 0 EHADRM C[C@H](Nc1cc(N2CCCC2=O)ccc1F)c1cc(C(=O)[O-])cs1 ZINC001593359607 995019535 /nfs/dbraw/zinc/01/95/35/995019535.db2.gz JYKAGDFNZZOVCQ-JTQLQIEISA-N -1 0 348.399 3.885 20 0 EHADRM C[C@H](Nc1ccc(N2CCCC2)c(F)c1)c1cncc(C(=O)[O-])c1 ZINC001593362771 995034422 /nfs/dbraw/zinc/03/44/22/995034422.db2.gz KTOGZVGUQQYDPP-LBPRGKRZSA-N -1 0 329.375 3.692 20 0 EHADRM C[C@H](Nc1ccc(OC(F)F)cc1F)c1ncc(C(=O)[O-])s1 ZINC001593363030 995034929 /nfs/dbraw/zinc/03/49/29/995034929.db2.gz MXFISSZFHKXEEL-LURJTMIESA-N -1 0 332.303 3.755 20 0 EHADRM COC(=O)[C@@H](C)Cc1ccc(Nc2ncc(C(=O)[O-])cc2Cl)cc1 ZINC001598690310 995054626 /nfs/dbraw/zinc/05/46/26/995054626.db2.gz FPKJDOSHWVCUCD-JTQLQIEISA-N -1 0 348.786 3.528 20 0 EHADRM C[C@@H](Nc1nc(C2CCCC2)ns1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593373311 995065582 /nfs/dbraw/zinc/06/55/82/995065582.db2.gz BAEGXZAPKRZRTN-DOMZBBRYSA-N -1 0 345.468 3.940 20 0 EHADRM COC(=O)[C@@H](Nc1ccc(C)c(Cl)c1)c1cccc(C(=O)[O-])c1 ZINC001598711365 995352754 /nfs/dbraw/zinc/35/27/54/995352754.db2.gz GDZSIVKRQSPPBT-HNNXBMFYSA-N -1 0 333.771 3.673 20 0 EHADRM C[C@@H](C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1)c1cn(C)c2ccccc12 ZINC001593484975 995445744 /nfs/dbraw/zinc/44/57/44/995445744.db2.gz NMDRQXVSYGOKRK-NEPJUHHUSA-N -1 0 341.363 3.877 20 0 EHADRM C[C@H](OC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(C(F)(F)F)cn1 ZINC001593500700 995500882 /nfs/dbraw/zinc/50/08/82/995500882.db2.gz ILJTWEPIQVAZPF-GARJFASQSA-N -1 0 345.317 3.596 20 0 EHADRM C[C@@H](OC(=O)CCCOCc1ccccc1)c1cc(C(=O)[O-])co1 ZINC001593514581 995532915 /nfs/dbraw/zinc/53/29/15/995532915.db2.gz JJAWRWIXWRZFLJ-CYBMUJFWSA-N -1 0 332.352 3.579 20 0 EHADRM C[C@H](OC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC001593526417 995567867 /nfs/dbraw/zinc/56/78/67/995567867.db2.gz WKISHYKMQLLVBM-NSHDSACASA-N -1 0 334.318 3.900 20 0 EHADRM C[C@H](OC(=O)CCCOc1ccccc1F)c1ccc(C(=O)[O-])o1 ZINC001593526441 995568251 /nfs/dbraw/zinc/56/82/51/995568251.db2.gz XOFBUPHCUWRFDX-NSHDSACASA-N -1 0 336.315 3.580 20 0 EHADRM C[C@H](OC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(C(=O)[O-])o1 ZINC001593534304 995587099 /nfs/dbraw/zinc/58/70/99/995587099.db2.gz VAZPOEOXTNBBJK-LBPRGKRZSA-N -1 0 346.379 3.959 20 0 EHADRM C[C@H](OC(=O)COc1ccc2ccccc2c1)c1ccc(C(=O)[O-])o1 ZINC001593534580 995590070 /nfs/dbraw/zinc/59/00/70/995590070.db2.gz DPGLTYUKMVJNAT-LBPRGKRZSA-N -1 0 340.331 3.814 20 0 EHADRM C[C@H](OC(=O)[C@@H]1CSC[C@H]1c1ccccc1)c1cc(C(=O)[O-])co1 ZINC001593547401 995624092 /nfs/dbraw/zinc/62/40/92/995624092.db2.gz NJRCQENMFLOOMN-TUKIKUTGSA-N -1 0 346.404 3.729 20 0 EHADRM CC(C)N(C(=O)c1nn(-c2cccc(F)c2)cc1[O-])C1CCCC1 ZINC000339928256 1015966704 /nfs/dbraw/zinc/96/67/04/1015966704.db2.gz ARXJUKKHMFFAAW-UHFFFAOYSA-N -1 0 331.391 3.510 20 0 EHADRM C[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)c1cc(C(=O)[O-])co1 ZINC001593585581 995702445 /nfs/dbraw/zinc/70/24/45/995702445.db2.gz JKNHFOKXWDAJFX-MRVPVSSYSA-N -1 0 328.242 3.915 20 0 EHADRM C[C@@H](OC(=O)c1cccc(OCC(=O)[O-])c1)c1cccc(Cl)c1 ZINC001593593872 995728568 /nfs/dbraw/zinc/72/85/68/995728568.db2.gz SJEYHABUORKGBN-LLVKDONJSA-N -1 0 334.755 3.721 20 0 EHADRM C[C@@H](OC(=O)c1occc1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001593601253 995756494 /nfs/dbraw/zinc/75/64/94/995756494.db2.gz LHMXFYWNHXORFB-MRVPVSSYSA-N -1 0 328.242 3.915 20 0 EHADRM C[C@@H](OC1CCCCC1)C(=O)Nc1ncc(C(=O)[O-])c2ccccc21 ZINC001593603111 995767685 /nfs/dbraw/zinc/76/76/85/995767685.db2.gz PTHULEOGNHAZDS-GFCCVEGCSA-N -1 0 342.395 3.609 20 0 EHADRM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-] ZINC001593612173 995813722 /nfs/dbraw/zinc/81/37/22/995813722.db2.gz LWJCAUWABODVHH-BBRMVZONSA-N -1 0 349.471 3.757 20 0 EHADRM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N[C@H](CC(C)(C)C)C(=O)[O-] ZINC001593634973 995929869 /nfs/dbraw/zinc/92/98/69/995929869.db2.gz IQPZMRPUABETAR-XJKSGUPXSA-N -1 0 349.471 3.757 20 0 EHADRM C[C@H](Oc1cccc2ccccc21)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001593640453 995946043 /nfs/dbraw/zinc/94/60/43/995946043.db2.gz GVWGZVUNWKKERR-AWEZNQCLSA-N -1 0 349.386 3.622 20 0 EHADRM C[C@H](Sc1ccc(C(=O)[O-])cc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC001593664415 996051474 /nfs/dbraw/zinc/05/14/74/996051474.db2.gz RSHPBCLXMYDIGV-STQMWFEESA-N -1 0 341.432 3.843 20 0 EHADRM C[C@@H](Sc1ccccc1)c1ccc(NC(=O)COCC(=O)[O-])cc1 ZINC001593667165 996056152 /nfs/dbraw/zinc/05/61/52/996056152.db2.gz BSXLRYFWPNOUAX-CYBMUJFWSA-N -1 0 345.420 3.580 20 0 EHADRM C[C@@H](Sc1ccccc1-c1nnc([C@@H]2CCCCO2)o1)C(=O)[O-] ZINC001593668297 996062464 /nfs/dbraw/zinc/06/24/64/996062464.db2.gz PPTDKBAWNNDNDB-PWSUYJOCSA-N -1 0 334.397 3.543 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)OCc1ccccc1F)C(=O)[O-] ZINC001593674030 996087697 /nfs/dbraw/zinc/08/76/97/996087697.db2.gz VOHGTTRESFJZRE-LLVKDONJSA-N -1 0 334.368 3.748 20 0 EHADRM C[C@H](Sc1nc(C(=O)[O-])c[nH]1)c1nc2ccccc2n1C(F)F ZINC001593678987 996097113 /nfs/dbraw/zinc/09/71/13/996097113.db2.gz CRKIZHKZHIFBBF-ZETCQYMHSA-N -1 0 338.339 3.706 20 0 EHADRM C[C@@H](Sc1nc(C(F)(F)F)ccc1C(=O)[O-])C(=O)c1ccco1 ZINC001593680192 996106657 /nfs/dbraw/zinc/10/66/57/996106657.db2.gz WZXXMPCCMRQZGI-SSDOTTSWSA-N -1 0 345.298 3.755 20 0 EHADRM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)c1cc(C(=O)[O-])ncn1 ZINC001593692857 996141171 /nfs/dbraw/zinc/14/11/71/996141171.db2.gz FZAPNFTYVYMNRC-QMMMGPOBSA-N -1 0 326.183 3.679 20 0 EHADRM C[C@H](c1cccc(Cl)c1F)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001593699764 996172715 /nfs/dbraw/zinc/17/27/15/996172715.db2.gz YCBQFLCAJSDQSJ-AMIZOPFISA-N -1 0 339.716 3.879 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(C)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001593713184 996218863 /nfs/dbraw/zinc/21/88/63/996218863.db2.gz KHTCNLSWLCHFOD-WCQYABFASA-N -1 0 338.835 3.543 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C(=O)c1ccc(C(=O)[O-])[nH]1)C1CC1 ZINC001593713329 996219994 /nfs/dbraw/zinc/21/99/94/996219994.db2.gz LRGTUFGYQPKHLX-SNVBAGLBSA-N -1 0 332.787 3.732 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(C)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001593714344 996230014 /nfs/dbraw/zinc/23/00/14/996230014.db2.gz WZUSDHXREBJFSS-IEHMKBBKSA-N -1 0 333.771 3.864 20 0 EHADRM C[C@@H](c1nc(C(=O)[O-])co1)N1CCC(Cc2ccc(F)cc2)CC1 ZINC001593724169 996263320 /nfs/dbraw/zinc/26/33/20/996263320.db2.gz DGGKHBWDRJPJDM-LBPRGKRZSA-N -1 0 332.375 3.528 20 0 EHADRM C[C@H](c1nc(C(=O)[O-])co1)N1CCC(=Cc2ccccc2F)CC1 ZINC001593725025 996272554 /nfs/dbraw/zinc/27/25/54/996272554.db2.gz LNOGGPFXEFIPCT-GFCCVEGCSA-N -1 0 330.359 3.752 20 0 EHADRM C[C@@]1(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)CCOc2ccccc21 ZINC001593758961 996415048 /nfs/dbraw/zinc/41/50/48/996415048.db2.gz YTFHREGOJGNMSY-GOSISDBHSA-N -1 0 345.782 3.717 20 0 EHADRM C[C@@]1(C(=O)Nc2cc(F)cc(C(=O)[O-])c2F)CCc2ccccc2C1 ZINC001593760414 996418726 /nfs/dbraw/zinc/41/87/26/996418726.db2.gz VXDKOQXQJFOAMU-LJQANCHMSA-N -1 0 345.345 3.797 20 0 EHADRM CC(F)(F)c1cc(F)ccc1NC(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001593771328 996464362 /nfs/dbraw/zinc/46/43/62/996464362.db2.gz ONIFRZZTXSMSSX-HNNXBMFYSA-N -1 0 344.333 3.656 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(-c3cccs3)s2)C1 ZINC001593772512 996468120 /nfs/dbraw/zinc/46/81/20/996468120.db2.gz BXLUSRQGMNYLKG-INIZCTEOSA-N -1 0 335.450 3.804 20 0 EHADRM CC1(C)C[C@H](O)c2c(OCc3ccc(C(=O)[O-])cc3)cccc2O1 ZINC001593861875 996657280 /nfs/dbraw/zinc/65/72/80/996657280.db2.gz LYNDJVAELQSDQL-AWEZNQCLSA-N -1 0 328.364 3.558 20 0 EHADRM CC1(C)C[C@@]1(C(=O)N1CCc2c1cccc2C(=O)[O-])c1ccccc1 ZINC001593863281 996662825 /nfs/dbraw/zinc/66/28/25/996662825.db2.gz FVCKRCZLNZYXOR-NRFANRHFSA-N -1 0 335.403 3.642 20 0 EHADRM CC1(C)CC[C@H](CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c2ccccc21 ZINC001593878187 996702845 /nfs/dbraw/zinc/70/28/45/996702845.db2.gz NHIWVMUJSVSFHX-HYVNUMGLSA-N -1 0 343.467 3.849 20 0 EHADRM CC1(C)CC[C@H](NC(=O)C23CCC(C(=O)[O-])(CC2)C3)c2ccccc21 ZINC001593879566 996707728 /nfs/dbraw/zinc/70/77/28/996707728.db2.gz IPBUZPYKPHOHIU-ATIQYGATSA-N -1 0 341.451 3.950 20 0 EHADRM CC1(C)CC[C@@H]1C(=O)N[C@@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001593883795 996718605 /nfs/dbraw/zinc/71/86/05/996718605.db2.gz UOGKQGQFAMPEDJ-OIISXLGYSA-N -1 0 329.440 3.502 20 0 EHADRM CC(C)(C)SCCCC(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001593891509 996736883 /nfs/dbraw/zinc/73/68/83/996736883.db2.gz KZWZGQJRVULCJV-KRWDZBQOSA-N -1 0 329.506 3.838 20 0 EHADRM CC1(C)CCCC[C@@H]1CC(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1 ZINC001593905078 996785989 /nfs/dbraw/zinc/78/59/89/996785989.db2.gz OGDPGBLTBYUCAX-IAGOWNOFSA-N -1 0 331.456 3.795 20 0 EHADRM COc1ccc(C(=O)Nc2c(F)ccc(F)c2C(=O)[O-])c(Cl)c1 ZINC001599485690 996844063 /nfs/dbraw/zinc/84/40/63/996844063.db2.gz GJXGURLSYXSNGE-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM CC1(C)CCc2sc(NC(=O)CCc3ccc(C(=O)[O-])cc3)nc21 ZINC001593924432 996847950 /nfs/dbraw/zinc/84/79/50/996847950.db2.gz JGNTYCIBFPKMDE-UHFFFAOYSA-N -1 0 344.436 3.636 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccc(C(=O)[O-])cc2)CCc2ccccc21 ZINC001593934530 996901268 /nfs/dbraw/zinc/90/12/68/996901268.db2.gz NJPGOLVDKAUWGX-UHFFFAOYSA-N -1 0 338.407 3.753 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2ccc(C(F)F)cc2)c1F ZINC001599489763 996918134 /nfs/dbraw/zinc/91/81/34/996918134.db2.gz FEUDENZMDPHBGX-UHFFFAOYSA-N -1 0 339.269 3.722 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@H](C)Cc2cccc(Cl)c2)c1 ZINC001599489966 996920160 /nfs/dbraw/zinc/92/01/60/996920160.db2.gz QOSYWYSRHJHYLP-LLVKDONJSA-N -1 0 347.798 3.864 20 0 EHADRM CC1(C)CN(C(=O)c2cc(F)cc(C(=O)[O-])c2)[C@H]1c1ccccc1 ZINC001593936864 996923129 /nfs/dbraw/zinc/92/31/29/996923129.db2.gz ZHGBBRTVZHXKDJ-INIZCTEOSA-N -1 0 327.355 3.747 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2ccc(Cl)c(F)c2)c1F ZINC001599490659 996932720 /nfs/dbraw/zinc/93/27/20/996932720.db2.gz VTJUZIPZQXDWFD-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)C[C@H](C)c2ccc(F)cc2)c1 ZINC001599491359 996944410 /nfs/dbraw/zinc/94/44/10/996944410.db2.gz RIYWPGNOVPIAEZ-NSHDSACASA-N -1 0 332.327 3.632 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC001599386972 996964041 /nfs/dbraw/zinc/96/40/41/996964041.db2.gz TYGSZVXZFKGCJP-UHFFFAOYSA-N -1 0 338.363 3.744 20 0 EHADRM COc1cc(C(F)(F)F)nc(Oc2ccc(C(=O)[O-])c(Cl)c2)n1 ZINC001599389127 997000489 /nfs/dbraw/zinc/00/04/89/997000489.db2.gz DDTZMSRJDNIEIL-UHFFFAOYSA-N -1 0 348.664 3.648 20 0 EHADRM COCc1cc(NC(=S)Nc2ccc(C)c(F)c2)cc(C(=O)[O-])c1 ZINC001599287775 997010811 /nfs/dbraw/zinc/01/08/11/997010811.db2.gz HBZQXOFGBPKHKN-UHFFFAOYSA-N -1 0 348.399 3.788 20 0 EHADRM COCc1cc(NCc2cnc(-c3ccco3)s2)cc(C(=O)[O-])c1 ZINC001599289426 997038448 /nfs/dbraw/zinc/03/84/48/997038448.db2.gz LFIMUCVRBWZAKQ-UHFFFAOYSA-N -1 0 344.392 3.860 20 0 EHADRM COCC1(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)CCCC1 ZINC001599187138 997047201 /nfs/dbraw/zinc/04/72/01/997047201.db2.gz VBCANHPHMUFEFZ-UHFFFAOYSA-N -1 0 327.380 3.683 20 0 EHADRM COC[C@H](SCCOc1ccccc1C(=O)[O-])c1ccccc1 ZINC001599188274 997069480 /nfs/dbraw/zinc/06/94/80/997069480.db2.gz YVFLLPFMVJMTSN-KRWDZBQOSA-N -1 0 332.421 3.885 20 0 EHADRM Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000683313600 1016090767 /nfs/dbraw/zinc/09/07/67/1016090767.db2.gz TWKGMXZOBWNHRA-MRVPVSSYSA-N -1 0 336.775 3.775 20 0 EHADRM COc1cc(C)c(N[C@H](C)c2ccccc2OCC(=O)[O-])cc1F ZINC001599394088 997092576 /nfs/dbraw/zinc/09/25/76/997092576.db2.gz WIFXWFQVPRXIQE-GFCCVEGCSA-N -1 0 333.359 3.779 20 0 EHADRM COc1cc(C)ccc1C(=O)N(c1ccccc1C(=O)[O-])C1CCC1 ZINC001599394400 997097566 /nfs/dbraw/zinc/09/75/66/997097566.db2.gz QGKMNIWJNYZVPB-UHFFFAOYSA-N -1 0 339.391 3.901 20 0 EHADRM COc1ccc(C(=O)[O-])cc1CSc1nnc(-c2ccccc2)o1 ZINC001599500048 997100115 /nfs/dbraw/zinc/10/01/15/997100115.db2.gz SCXQNCPVHMKUFM-UHFFFAOYSA-N -1 0 342.376 3.736 20 0 EHADRM COCc1ccc(CNC(=O)Nc2c(C)sc(C)c2C(=O)[O-])cc1 ZINC001599294033 997106369 /nfs/dbraw/zinc/10/63/69/997106369.db2.gz PSFWDAWNJKMFBQ-UHFFFAOYSA-N -1 0 348.424 3.531 20 0 EHADRM COc1ccc(C(=O)[O-])cc1CN1CC[C@@H](C)C[C@H]1C(F)(F)F ZINC001599501065 997122275 /nfs/dbraw/zinc/12/22/75/997122275.db2.gz PZKNCUPBRMWPLF-YGRLFVJLSA-N -1 0 331.334 3.556 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)[C@H]1CCCCC1(C)C ZINC001599395794 997122826 /nfs/dbraw/zinc/12/28/26/997122826.db2.gz AIWBVEIJMAYMTB-QQBNSCQMSA-N -1 0 332.396 3.915 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)/C=C(/C)c1ccccc1 ZINC001599396772 997140425 /nfs/dbraw/zinc/14/04/25/997140425.db2.gz RDTHSDQOBGHKIE-YJKQCFOZSA-N -1 0 338.359 3.802 20 0 EHADRM COc1ccc(C(=O)[O-])c2c1CN(Cc1cc(F)ccc1Cl)CC2 ZINC001599502269 997147296 /nfs/dbraw/zinc/14/72/96/997147296.db2.gz ZHPMBNZOUIVJTB-UHFFFAOYSA-N -1 0 349.789 3.744 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)[C@@H]1CCCC(F)(F)C1 ZINC001599398397 997171229 /nfs/dbraw/zinc/17/12/29/997171229.db2.gz ZYGIFPZKTKWOKM-HOSRBBHYSA-N -1 0 340.322 3.524 20 0 EHADRM COCC1(C(=O)O[C@@H]2CCCc3cc(C(=O)[O-])ccc32)CCCC1 ZINC001599195225 997202224 /nfs/dbraw/zinc/20/22/24/997202224.db2.gz IRXZOLNRGHIROD-MRXNPFEDSA-N -1 0 332.396 3.512 20 0 EHADRM CC1(C)SC[C@@H]1NC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001593982092 997210665 /nfs/dbraw/zinc/21/06/65/997210665.db2.gz MTGRDNNGPYHVSI-NSHDSACASA-N -1 0 336.438 3.615 20 0 EHADRM COCc1csc(CN(CC(=O)[O-])Cc2ccc(Cl)cc2)c1 ZINC001599300300 997219850 /nfs/dbraw/zinc/21/98/50/997219850.db2.gz ZVBGJGHIMLQHEJ-UHFFFAOYSA-N -1 0 339.844 3.635 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001599401393 997220147 /nfs/dbraw/zinc/22/01/47/997220147.db2.gz WXIYFYSKXDIIJR-PPYMECGQSA-N -1 0 330.380 3.835 20 0 EHADRM C[C@]1(C2CCCCC2)CCN1C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001593992281 997266712 /nfs/dbraw/zinc/26/67/12/997266712.db2.gz GOKYXPSCFFAUKV-GOSISDBHSA-N -1 0 336.476 3.776 20 0 EHADRM COCc1sccc1C(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-] ZINC001599306854 997332905 /nfs/dbraw/zinc/33/29/05/997332905.db2.gz DULRZOULTRJUQT-UHFFFAOYSA-N -1 0 343.763 3.638 20 0 EHADRM CON(C(=O)c1cc(C)c(-c2ccccc2)s1)[C@@H](C)CC(=O)[O-] ZINC001599312076 997433781 /nfs/dbraw/zinc/43/37/81/997433781.db2.gz GBEJPYUSKLPNJN-LBPRGKRZSA-N -1 0 333.409 3.590 20 0 EHADRM CO[C@@H]1CCC[C@H](C(=O)OCc2c3ccccc3sc2C(=O)[O-])C1 ZINC001599104557 997451794 /nfs/dbraw/zinc/45/17/94/997451794.db2.gz GWJHYBMFLBYVCS-NWDGAFQWSA-N -1 0 348.420 3.848 20 0 EHADRM CON(C(=O)c1ccc(C(=O)[O-])c(F)c1)[C@H](C)c1ccccc1C ZINC001599313245 997453207 /nfs/dbraw/zinc/45/32/07/997453207.db2.gz YYDPHULDSNRSKA-GFCCVEGCSA-N -1 0 331.343 3.597 20 0 EHADRM CON(C(=O)CC(C)(C)Cc1ccc(Cl)cc1)[C@H](C)CC(=O)[O-] ZINC001599313656 997460008 /nfs/dbraw/zinc/46/00/08/997460008.db2.gz XUXSYJOHLFGMMT-GFCCVEGCSA-N -1 0 341.835 3.552 20 0 EHADRM C[C@@H](CC(=O)NCC1(C(=O)[O-])CCCC1)Cc1ccc(Cl)cc1 ZINC000683316171 1016130155 /nfs/dbraw/zinc/13/01/55/1016130155.db2.gz IUVGCVIUFQPBOT-CYBMUJFWSA-N -1 0 337.847 3.670 20 0 EHADRM Cc1cccc(C)c1OC[C@@H](NC(=O)CCCCC(=O)[O-])C(C)(C)C ZINC000655548908 1016126619 /nfs/dbraw/zinc/12/66/19/1016126619.db2.gz LHTAGAGSTZBVMG-MRXNPFEDSA-N -1 0 349.471 3.858 20 0 EHADRM CO[C@@H](C(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1)c1ccccc1 ZINC001599321131 997582972 /nfs/dbraw/zinc/58/29/72/997582972.db2.gz RLAVNIYHYOKCFP-PKOBYXMFSA-N -1 0 347.455 3.694 20 0 EHADRM CO[C@@H]1CCC[C@H]1CNC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001599115879 997651325 /nfs/dbraw/zinc/65/13/25/997651325.db2.gz VWOCUJPHGXOHIX-GXFFZTMASA-N -1 0 348.424 3.536 20 0 EHADRM C[C@]1(Cc2ccccc2)CCCN1C(=O)NCCCCCCC(=O)[O-] ZINC001594041539 997664072 /nfs/dbraw/zinc/66/40/72/997664072.db2.gz MUCOMZHUOLUHDV-HXUWFJFHSA-N -1 0 346.471 3.828 20 0 EHADRM COc1ccc([C@@H](NCc2cc(C(=O)[O-])co2)c2ccccc2)cc1 ZINC001599531618 997664712 /nfs/dbraw/zinc/66/47/12/997664712.db2.gz KEHOSBBBLOHKOL-IBGZPJMESA-N -1 0 337.375 3.866 20 0 EHADRM C[C@@]1(Cc2ccccc2F)CCC[N@@H+]1Cc1nc(C(=O)[O-])cs1 ZINC001594043609 997679417 /nfs/dbraw/zinc/67/94/17/997679417.db2.gz NQZKZHAXEKPJTO-KRWDZBQOSA-N -1 0 334.416 3.578 20 0 EHADRM COCCC[C@H](C)C(=O)Nc1cc(C(=O)[O-])cc(Cl)c1Cl ZINC001599225106 997743760 /nfs/dbraw/zinc/74/37/60/997743760.db2.gz GOPPGBDSBQKDCR-QMMMGPOBSA-N -1 0 334.199 3.693 20 0 EHADRM COc1ccc(C)cc1[C@H](C)OC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001599536249 997748533 /nfs/dbraw/zinc/74/85/33/997748533.db2.gz XGVKHWLBHTUXQD-ZDUSSCGKSA-N -1 0 328.364 3.549 20 0 EHADRM C[C@]1(NC(=O)C[C@@H]2CCC[C@H](C(F)(F)F)C2)CCCC[C@@H]1C(=O)[O-] ZINC001594053766 997776761 /nfs/dbraw/zinc/77/67/61/997776761.db2.gz XXQHWJZSMHJRAL-IATRGZMQSA-N -1 0 349.393 3.895 20 0 EHADRM COc1cc(NC(=O)N2CCC[C@H]2CCC(C)C)ccc1C(=O)[O-] ZINC001599436072 997848558 /nfs/dbraw/zinc/84/85/58/997848558.db2.gz UHJMIEKVOUIHJV-AWEZNQCLSA-N -1 0 334.416 3.826 20 0 EHADRM COc1cc(NC(=O)N2CC[C@H]2c2cccc(F)c2)ccc1C(=O)[O-] ZINC001599436206 997851143 /nfs/dbraw/zinc/85/11/43/997851143.db2.gz YCLQTZFTBGEJBS-HNNXBMFYSA-N -1 0 344.342 3.511 20 0 EHADRM CC1(OCC(=O)O[C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CCC1 ZINC001594069895 997905584 /nfs/dbraw/zinc/90/55/84/997905584.db2.gz UGYCQEFBTYGAQN-CYBMUJFWSA-N -1 0 347.194 3.622 20 0 EHADRM COc1ccc(/C=C/C(=O)Nc2ccc3c(c2)[nH]cc3C(=O)[O-])cc1 ZINC001599544915 997907003 /nfs/dbraw/zinc/90/70/03/997907003.db2.gz VQHJENKTSFKKKJ-RUDMXATFSA-N -1 0 336.347 3.527 20 0 EHADRM COc1ccc(/C=C\C(=O)Nc2ccc3c(c2)[nH]cc3C(=O)[O-])cc1 ZINC001599545238 997911342 /nfs/dbraw/zinc/91/13/42/997911342.db2.gz VQHJENKTSFKKKJ-WTKPLQERSA-N -1 0 336.347 3.527 20 0 EHADRM COc1c(NC(=O)N[C@H](C2CCC2)C2CCCC2)cccc1C(=O)[O-] ZINC001599341711 997933521 /nfs/dbraw/zinc/93/35/21/997933521.db2.gz VHXDTIWDPXCEAX-INIZCTEOSA-N -1 0 346.427 3.874 20 0 EHADRM COc1cc(NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])ccn1 ZINC001599441745 997940839 /nfs/dbraw/zinc/94/08/39/997940839.db2.gz CYRBGQUOHXKYEU-UHFFFAOYSA-N -1 0 348.358 3.708 20 0 EHADRM COc1cc(OC(=O)/C=C\Sc2ccccc2)ccc1C(=O)[O-] ZINC001599445788 998007835 /nfs/dbraw/zinc/00/78/35/998007835.db2.gz MQPPNWUWEISUBW-KTKRTIGZSA-N -1 0 330.361 3.605 20 0 EHADRM COc1ccc(C[C@H](C)Nc2cccc(C(=O)[O-])c2)c(C)c1OC ZINC001599551160 998008747 /nfs/dbraw/zinc/00/87/47/998008747.db2.gz OEGNJPOVBFMDAB-LBPRGKRZSA-N -1 0 329.396 3.754 20 0 EHADRM COc1ccc(C[C@H](C)CNc2ncc(C(=O)[O-])cc2Cl)cc1 ZINC001599551511 998014709 /nfs/dbraw/zinc/01/47/09/998014709.db2.gz UZTGSOKOLNFSMQ-NSHDSACASA-N -1 0 334.803 3.733 20 0 EHADRM CC1=C(Br)CN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC001594091176 998042420 /nfs/dbraw/zinc/04/24/20/998042420.db2.gz ZVKJQUZFNOLOSG-CYBMUJFWSA-N -1 0 344.636 3.840 20 0 EHADRM COc1cc(C(=O)Nc2cc(C)c(C(=O)[O-])s2)ccc1Cl ZINC001599355831 998177247 /nfs/dbraw/zinc/17/72/47/998177247.db2.gz MRRSRGSWONWFLX-UHFFFAOYSA-N -1 0 325.773 3.669 20 0 EHADRM COc1cc(C(=O)Nc2scc(C)c2C(=O)[O-])ccc1Cl ZINC001599356768 998191601 /nfs/dbraw/zinc/19/16/01/998191601.db2.gz UJDCDWPOTQWCLE-UHFFFAOYSA-N -1 0 325.773 3.669 20 0 EHADRM CC1=C(C)C[C@@H](C(=O)NCCc2cc3ccc(C(=O)[O-])cc3o2)CC1 ZINC001594109452 998193280 /nfs/dbraw/zinc/19/32/80/998193280.db2.gz IWFVXYWLCZGHBN-HNNXBMFYSA-N -1 0 341.407 3.926 20 0 EHADRM CC1=C(C)C[C@H](C(=O)Nc2ccc(O[C@H](C)C(=O)[O-])c(F)c2)CC1 ZINC001594110814 998214931 /nfs/dbraw/zinc/21/49/31/998214931.db2.gz ZWJLBCSZHSQFDA-CHWSQXEVSA-N -1 0 335.375 3.753 20 0 EHADRM COc1ccc(CNC(=O)N[C@H](C)C2CCCCCC2)cc1C(=O)[O-] ZINC001599569629 998344879 /nfs/dbraw/zinc/34/48/79/998344879.db2.gz JLARQMGRTYFWCW-CYBMUJFWSA-N -1 0 348.443 3.552 20 0 EHADRM COc1ccc(CN[C@H](C(=O)[O-])c2c(F)cccc2Cl)cc1F ZINC001599572045 998380892 /nfs/dbraw/zinc/38/08/92/998380892.db2.gz NTHCGQZLBCGAIB-HNNXBMFYSA-N -1 0 341.741 3.542 20 0 EHADRM C[C@@H]1[C@@H](C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)[C@@H]1c1ccccc1 ZINC001594137901 998397672 /nfs/dbraw/zinc/39/76/72/998397672.db2.gz YVLMLXFHRQACBU-UYHISHBKSA-N -1 0 346.386 3.921 20 0 EHADRM COc1ccc(CSCc2cc(C(=O)[O-])ccc2OC)c(OC)c1 ZINC001599576346 998449979 /nfs/dbraw/zinc/44/99/79/998449979.db2.gz GFGMEVLJMUBYDL-UHFFFAOYSA-N -1 0 348.420 3.844 20 0 EHADRM COc1ccc(Cl)cc1CC(=O)O[C@@H](C)c1ccc(C(=O)[O-])cc1 ZINC001599578880 998492423 /nfs/dbraw/zinc/49/24/23/998492423.db2.gz GPXQSMQEVSNZNA-NSHDSACASA-N -1 0 348.782 3.894 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001599377872 998517439 /nfs/dbraw/zinc/51/74/39/998517439.db2.gz OJILXYQFHIUVJB-CABCVRRESA-N -1 0 344.338 3.632 20 0 EHADRM COc1ccc(Br)c(OCc2ccc(C(=O)[O-])cc2)c1 ZINC001599475986 998532158 /nfs/dbraw/zinc/53/21/58/998532158.db2.gz PXRVXUHENWOSRA-UHFFFAOYSA-N -1 0 337.169 3.735 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)c1sccc1C(F)F ZINC001599378751 998532557 /nfs/dbraw/zinc/53/25/57/998532557.db2.gz STOZTBSVPCJZAF-UHFFFAOYSA-N -1 0 328.292 3.612 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)Nc1ccc(-c2ccccc2)cc1F ZINC001594152426 998540536 /nfs/dbraw/zinc/54/05/36/998540536.db2.gz HEWXNQMSJPEWCO-DOMZBBRYSA-N -1 0 342.370 3.820 20 0 EHADRM COc1ccc(F)c2[nH]c(C(=O)Nc3cc(C)c(C(=O)[O-])s3)cc21 ZINC001599582160 998549186 /nfs/dbraw/zinc/54/91/86/998549186.db2.gz KYRXPJVTTGSGMV-UHFFFAOYSA-N -1 0 348.355 3.636 20 0 EHADRM COC(=O)c1ccc(Cl)c(CNc2cccc([C@H](C)C(=O)[O-])c2)c1 ZINC001598975392 998594059 /nfs/dbraw/zinc/59/40/59/998594059.db2.gz GDBCRAIAYUZEHH-NSHDSACASA-N -1 0 347.798 3.927 20 0 EHADRM COC(=O)c1cccc([C@@H](SCCSC(C)(C)C)C(=O)[O-])c1 ZINC001598992595 998751398 /nfs/dbraw/zinc/75/13/98/998751398.db2.gz ASOIZNIBEJYNCL-CYBMUJFWSA-N -1 0 342.482 3.864 20 0 EHADRM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1C(=O)CCc1ccc(Cl)c(F)c1 ZINC001594205398 998788342 /nfs/dbraw/zinc/78/83/42/998788342.db2.gz COYZUKMSBIDSDM-GHMZBOCLSA-N -1 0 341.810 3.512 20 0 EHADRM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1C(=O)c1nc(-c2ccccc2)cs1 ZINC001594207632 998801194 /nfs/dbraw/zinc/80/11/94/998801194.db2.gz HGHUUNYNCQNQKZ-RYUDHWBXSA-N -1 0 344.436 3.524 20 0 EHADRM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001594217341 998837321 /nfs/dbraw/zinc/83/73/21/998837321.db2.gz ROTKZEDBRUIQRD-TVQRCGJNSA-N -1 0 340.370 3.999 20 0 EHADRM C[C@@H]1CC(CNC(=O)Nc2ccc(CCC(=O)[O-])cc2)C[C@@H](C)C1 ZINC001594223163 998860080 /nfs/dbraw/zinc/86/00/80/998860080.db2.gz OSLBVEJIYINBQX-KBPBESRZSA-N -1 0 332.444 3.898 20 0 EHADRM Cc1cccc([C@@H](NC(=O)CC(C)(C)CC(=O)[O-])C(F)(F)F)c1 ZINC000683337726 1016256554 /nfs/dbraw/zinc/25/65/54/1016256554.db2.gz OSAXNMDIQIOKKE-CQSZACIVSA-N -1 0 331.334 3.606 20 0 EHADRM C[C@@H]1CC(F)(F)CCN1C(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC001594245395 998937607 /nfs/dbraw/zinc/93/76/07/998937607.db2.gz KSTDIDKDVKTFMF-MRVPVSSYSA-N -1 0 332.734 3.690 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)NCC(C)(C)CC(=O)[O-])C[C@H](c2ccccc2)C1 ZINC001594255315 998983547 /nfs/dbraw/zinc/98/35/47/998983547.db2.gz MOFIWMPYRMFPLY-USXIJHARSA-N -1 0 346.471 3.759 20 0 EHADRM O=C([O-])C1CC(C(=O)N2CCCCC[C@H]2/C=C/c2cccs2)C1 ZINC000683340777 1016269612 /nfs/dbraw/zinc/26/96/12/1016269612.db2.gz KMOIZWKWZDPIMV-ODBLBIMWSA-N -1 0 333.453 3.643 20 0 EHADRM COC(=O)c1sccc1CN1CCCCc2cc(C(=O)[O-])ccc21 ZINC001599024099 999004167 /nfs/dbraw/zinc/00/41/67/999004167.db2.gz SUPJDGNSCMCXGF-UHFFFAOYSA-N -1 0 345.420 3.576 20 0 EHADRM CO[C@@](C)(C(=O)O[C@@H](C)c1ccc(C(=O)[O-])cc1)c1ccccc1F ZINC001599029015 999036741 /nfs/dbraw/zinc/03/67/41/999036741.db2.gz AHMJAMAZLIRGSR-HXPMCKFVSA-N -1 0 346.354 3.690 20 0 EHADRM C[C@H]1C[C@H](c2cccnc2)N(C(=O)NCCCCCCCC(=O)[O-])C1 ZINC001594270109 999043738 /nfs/dbraw/zinc/04/37/38/999043738.db2.gz QIJNUTFIYKASGT-DOTOQJQBSA-N -1 0 347.459 3.599 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)N(C(=O)CCc2ccccc2C(=O)[O-])C1 ZINC001594270475 999044991 /nfs/dbraw/zinc/04/49/91/999044991.db2.gz VAUQNUBNRNPOCQ-KXBFYZLASA-N -1 0 337.419 3.927 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CN(Cc2ncc(C(=O)[O-])s2)C2CC2)o1 ZINC001594279875 999085936 /nfs/dbraw/zinc/08/59/36/999085936.db2.gz MOFCCOXZAYKENC-GWCFXTLKSA-N -1 0 332.425 3.722 20 0 EHADRM CO[C@@H](C)CCC(=O)OCc1c(C(=O)[O-])sc2cccc(F)c21 ZINC001599039025 999104225 /nfs/dbraw/zinc/10/42/25/999104225.db2.gz KNGJLMWQWWHTTK-VIFPVBQESA-N -1 0 340.372 3.597 20 0 EHADRM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1 ZINC001594285201 999104661 /nfs/dbraw/zinc/10/46/61/999104661.db2.gz OOPYTVLAJSEOKZ-JVNHZCFISA-N -1 0 335.488 3.989 20 0 EHADRM C[C@H]1CCC(C)(C)N1C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001594296966 999144993 /nfs/dbraw/zinc/14/49/93/999144993.db2.gz YZPYFNKQQOLPPR-ZFWWWQNUSA-N -1 0 332.444 3.811 20 0 EHADRM C[C@@H]1CC[C@H](C)CN1C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001594299970 999158691 /nfs/dbraw/zinc/15/86/91/999158691.db2.gz LMPIMVRLQZUPBU-DTWKUNHWSA-N -1 0 328.771 3.830 20 0 EHADRM C[C@@H]1CC[C@H](C)N1C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001594300040 999159339 /nfs/dbraw/zinc/15/93/39/999159339.db2.gz NKABXPTXMRJMNQ-GBIKHYSHSA-N -1 0 344.333 3.571 20 0 EHADRM C[C@@H]1CC[C@H](CC(=O)N[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)C1 ZINC001594301728 999165070 /nfs/dbraw/zinc/16/50/70/999165070.db2.gz GHOUQEUNZFLJQS-JRPNMDOOSA-N -1 0 343.345 3.774 20 0 EHADRM CO[C@H](CNC(=O)Nc1ccc(C(=O)[O-])c2ccccc12)CC(C)C ZINC001599050594 999184934 /nfs/dbraw/zinc/18/49/34/999184934.db2.gz UCRKCLPILITKGF-ZDUSSCGKSA-N -1 0 344.411 3.721 20 0 EHADRM C[C@@H]1CCC(F)(F)CN1C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001594306974 999185722 /nfs/dbraw/zinc/18/57/22/999185722.db2.gz ORXRTXWWQJSVCJ-SNVBAGLBSA-N -1 0 349.337 3.585 20 0 EHADRM CO[C@@H](CSc1nc(C(=O)[O-])cs1)c1ccc(Cl)cc1 ZINC001599060941 999264738 /nfs/dbraw/zinc/26/47/38/999264738.db2.gz YHDGHIZKCDXEEC-NSHDSACASA-N -1 0 329.830 3.975 20 0 EHADRM COC1(C(=O)Nc2cc(C(=O)[O-])cc(Cl)c2Cl)CCCCC1 ZINC001599063306 999281385 /nfs/dbraw/zinc/28/13/85/999281385.db2.gz GPIXTMVSAURRRK-UHFFFAOYSA-N -1 0 346.210 3.979 20 0 EHADRM COC1(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)CCC(F)(F)CC1 ZINC001599063301 999281577 /nfs/dbraw/zinc/28/15/77/999281577.db2.gz GCJVXTKSTKHUPA-UHFFFAOYSA-N -1 0 347.745 3.571 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N(C)[C@@H]2CCC[C@@H](C)C2)cc1)C(=O)[O-] ZINC001594347952 999317483 /nfs/dbraw/zinc/31/74/83/999317483.db2.gz CUKUZPMIIDOPCF-JKIFEVAISA-N -1 0 332.444 3.992 20 0 EHADRM C[C@H]1CCC[C@H](OC(=O)c2cc(Br)cc(C(=O)[O-])c2)C1 ZINC001594352217 999333013 /nfs/dbraw/zinc/33/30/13/999333013.db2.gz ACQRCGGNTVWZCX-ZANVPECISA-N -1 0 341.201 3.883 20 0 EHADRM C[C@H]1CCC[C@@H](OCCCCCC(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001594355991 999343542 /nfs/dbraw/zinc/34/35/42/999343542.db2.gz OWMQWFGCPXHFFW-LSDHHAIUSA-N -1 0 348.443 3.874 20 0 EHADRM C[C@H]1CCCC[C@@H]1C(=O)Oc1cc(Br)cc(C(=O)[O-])c1 ZINC001594363530 999371912 /nfs/dbraw/zinc/37/19/12/999371912.db2.gz GLAQFVLDACSLRD-ZANVPECISA-N -1 0 341.201 3.879 20 0 EHADRM C[C@H]1CCCC[C@@H]1C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC001594363925 999374636 /nfs/dbraw/zinc/37/46/36/999374636.db2.gz OQSLBBIIMACVNP-ONGXEEELSA-N -1 0 333.413 3.601 20 0 EHADRM C[C@@H]1CCCC[C@@H]1Cc1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC001594367273 999387928 /nfs/dbraw/zinc/38/79/28/999387928.db2.gz QBRVJYLIGHNEFQ-CHWSQXEVSA-N -1 0 330.384 3.716 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)N2CC[C@@H](C)C[C@H]2C(=O)[O-])cc1 ZINC001594396133 999492565 /nfs/dbraw/zinc/49/25/65/999492565.db2.gz JPORSGKAUSEFJR-PHJPPKDOSA-N -1 0 329.440 3.925 20 0 EHADRM C[C@H]1CCN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)CC12CCCCC2 ZINC001594397117 999496061 /nfs/dbraw/zinc/49/60/61/999496061.db2.gz UHBAZUUYXABZHV-QPBFKRLHSA-N -1 0 331.412 3.810 20 0 EHADRM C[C@@H]1CCN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)CC12CCCCC2 ZINC001594397114 999496168 /nfs/dbraw/zinc/49/61/68/999496168.db2.gz UHBAZUUYXABZHV-IZPAUZPXSA-N -1 0 331.412 3.810 20 0 EHADRM C[C@H]1CCN(C(=O)CSc2ccc3ccccc3c2)[C@@H](C(=O)[O-])C1 ZINC001594401111 999501656 /nfs/dbraw/zinc/50/16/56/999501656.db2.gz SRSMQVJHJXRULL-SUMWQHHRSA-N -1 0 343.448 3.644 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])nc2)[C@@H]1c1cccc(F)c1 ZINC001594403964 999513036 /nfs/dbraw/zinc/51/30/36/999513036.db2.gz WSMQRXHABNQMKA-ZBEGNZNMSA-N -1 0 343.358 3.534 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2cccc(CSCC(=O)[O-])c2)C[C@H]1C ZINC001594405319 999517042 /nfs/dbraw/zinc/51/70/42/999517042.db2.gz KLYLTGWZLIPBEU-QWHCGFSZSA-N -1 0 336.457 3.514 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)C[C@H]1F ZINC001594406073 999520158 /nfs/dbraw/zinc/52/01/58/999520158.db2.gz RFPMNRDHILKQJL-MWLCHTKSSA-N -1 0 340.420 3.537 20 0 EHADRM C[C@H]1CCN(C)c2ccccc2N1Cc1cc(C(=O)[O-])ccc1F ZINC001594424838 999589618 /nfs/dbraw/zinc/58/96/18/999589618.db2.gz ZOWMXKSAWNVOCL-ZDUSSCGKSA-N -1 0 328.387 3.759 20 0 EHADRM C[C@H]1CCn2cc(C(=O)Nc3cc4ccccc4c(C(=O)[O-])c3)nc2C1 ZINC001594452532 999652834 /nfs/dbraw/zinc/65/28/34/999652834.db2.gz SWFUOIBYRPZKMG-LBPRGKRZSA-N -1 0 349.390 3.569 20 0 EHADRM CCC(CC)(CNC(=O)N1CCCC[C@H]1c1ccccc1)C(=O)[O-] ZINC000424431522 1016515363 /nfs/dbraw/zinc/51/53/63/1016515363.db2.gz OXWRFHWHHCHJRV-INIZCTEOSA-N -1 0 332.444 3.814 20 0 EHADRM COc1cc(-c2noc(CC(=O)c3ccccc3Cl)n2)ccc1F ZINC001211645036 1016658825 /nfs/dbraw/zinc/65/88/25/1016658825.db2.gz KTTYONYWLOCSHK-UHFFFAOYSA-N -1 0 346.745 3.963 20 0 EHADRM CC(C)c1ccc2c(c1)CN(C(=O)NCCCCCC(=O)[O-])CC2 ZINC000659406696 1016662306 /nfs/dbraw/zinc/66/23/06/1016662306.db2.gz RONGWGGFHHCOPC-UHFFFAOYSA-N -1 0 332.444 3.523 20 0 EHADRM CCN(C(=O)NCC1(C(=O)[O-])CCC1)[C@@H](C)c1cc2ccccc2o1 ZINC000659421460 1016672739 /nfs/dbraw/zinc/67/27/39/1016672739.db2.gz KBQMGZMXCRAQKS-ZDUSSCGKSA-N -1 0 344.411 3.780 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)c2ccc(N3CCCCC3)cc2)s1 ZINC000471289999 1016732640 /nfs/dbraw/zinc/73/26/40/1016732640.db2.gz VPLYWGOJUKQOHJ-UHFFFAOYSA-N -1 0 344.484 3.545 20 0 EHADRM COC(=O)c1cccc(-c2noc(-c3cc(Cl)ccc3[O-])n2)c1 ZINC000180359372 1016897697 /nfs/dbraw/zinc/89/76/97/1016897697.db2.gz MVEOEXGLRYMCAP-UHFFFAOYSA-N -1 0 330.727 3.549 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@@H]2CCC[C@H]2C(=O)[O-])cc1Cl ZINC000388685937 1016967656 /nfs/dbraw/zinc/96/76/56/1016967656.db2.gz USYWAQATVWKZGW-VXGBXAGGSA-N -1 0 325.792 3.567 20 0 EHADRM CC(C)CN(C)C(=O)N=c1[n-]nc(-c2ccc(Cl)cc2F)s1 ZINC000471304401 1016974894 /nfs/dbraw/zinc/97/48/94/1016974894.db2.gz QCLOBKHXRYHVQB-UHFFFAOYSA-N -1 0 342.827 3.539 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N2CCCC[C@H](C)C2)s1 ZINC000471308116 1016995714 /nfs/dbraw/zinc/99/57/14/1016995714.db2.gz QHMRJPZFKOKZNJ-NSHDSACASA-N -1 0 348.447 3.728 20 0 EHADRM C/C(=C/C(=O)N1CCCC[C@H]1CCC(=O)[O-])c1ccccc1Cl ZINC000236622911 1017063562 /nfs/dbraw/zinc/06/35/62/1017063562.db2.gz JMJCLPRMVAWTJH-DINCDJDBSA-N -1 0 335.831 3.989 20 0 EHADRM O=C(Cc1ccncc1)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000182976087 1032153814 /nfs/dbraw/zinc/15/38/14/1032153814.db2.gz COTFETVTTOEMTJ-UHFFFAOYSA-N -1 0 331.586 3.929 20 0 EHADRM O=C([O-])c1coc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000183751650 1032201509 /nfs/dbraw/zinc/20/15/09/1032201509.db2.gz ZSKFJNRMDSOKSF-GFCCVEGCSA-N -1 0 342.376 3.565 20 0 EHADRM CSCc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000184034259 1032228890 /nfs/dbraw/zinc/22/88/90/1032228890.db2.gz YRFQSGZFZWKPES-UHFFFAOYSA-N -1 0 329.393 3.629 20 0 EHADRM CC(C)CN(C)c1ccc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000449137518 1032232651 /nfs/dbraw/zinc/23/26/51/1032232651.db2.gz FXOPHGWSTUCPMB-SFHVURJKSA-N -1 0 346.471 3.638 20 0 EHADRM C[C@]1(c2ccccc2)CCCN(C(=O)NCCCCCC(=O)[O-])CC1 ZINC000414623561 1017075010 /nfs/dbraw/zinc/07/50/10/1017075010.db2.gz HMOCRZNNFKHJRS-FQEVSTJZSA-N -1 0 346.471 3.785 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1nc(Cl)cnc1Br ZINC001211616547 1032280949 /nfs/dbraw/zinc/28/09/49/1032280949.db2.gz NRIPQNNIBMFJIF-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1ccc(OCC2CCOCC2)nc1 ZINC001211616661 1032284175 /nfs/dbraw/zinc/28/41/75/1032284175.db2.gz SNJXACSXDUPLCA-UHFFFAOYSA-N -1 0 342.395 3.637 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1cccn2c(Br)cnc12 ZINC001211616686 1032284941 /nfs/dbraw/zinc/28/49/41/1032284941.db2.gz ULCFRVLNPUCYNE-UHFFFAOYSA-N -1 0 346.184 3.847 20 0 EHADRM Cc1ccsc1CN=c1nc(Cc2ccc(F)cc2F)[n-]s1 ZINC000461207045 1032319005 /nfs/dbraw/zinc/31/90/05/1032319005.db2.gz AHSLYNMVVLUYCI-UHFFFAOYSA-N -1 0 337.420 3.811 20 0 EHADRM Cc1cccc(C(=O)Nc2n[nH]c(-c3cc4ccccc4o3)n2)c1F ZINC000485106733 1032319609 /nfs/dbraw/zinc/31/96/09/1032319609.db2.gz OMSOBBQYUMTVNO-UHFFFAOYSA-N -1 0 336.326 3.918 20 0 EHADRM CC(C)(/C=C\Cl)NC(=O)[C@H](CC(=O)[O-])c1c(F)cccc1Cl ZINC000905134633 1032359882 /nfs/dbraw/zinc/35/98/82/1032359882.db2.gz ASGCRBGGXYKLLG-ATJFRQLMSA-N -1 0 348.201 3.685 20 0 EHADRM CCc1ccc2nc([N-]S(=O)(=O)c3cc(C)oc3C)sc2c1 ZINC000538454606 1032382194 /nfs/dbraw/zinc/38/21/94/1032382194.db2.gz ZHXVTIKHLKZARV-UHFFFAOYSA-N -1 0 336.438 3.869 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1CCCc2ccccc21)C1CCCCC1 ZINC000538504949 1032402343 /nfs/dbraw/zinc/40/23/43/1032402343.db2.gz YAUUZZKWBHKEKW-ROUUACIJSA-N -1 0 329.440 3.646 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3C[C@@H](C)C[C@@H]3C)n2)c1 ZINC000084404601 1032426740 /nfs/dbraw/zinc/42/67/40/1032426740.db2.gz CWANMHVNALGGSF-KBPBESRZSA-N -1 0 327.428 3.572 20 0 EHADRM O=C([O-])c1cc(/C=C/c2csc(-c3ccc(F)cc3)n2)ncn1 ZINC000090072271 1032557863 /nfs/dbraw/zinc/55/78/63/1032557863.db2.gz QCKSOHINTWMQHV-AATRIKPKSA-N -1 0 327.340 3.608 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)[C@H](C)S[C@H](C)C(=O)[O-] ZINC000601990361 1032582945 /nfs/dbraw/zinc/58/29/45/1032582945.db2.gz YVOTVSGILCTMCU-JGVFFNPUSA-N -1 0 333.862 3.595 20 0 EHADRM CCCCOc1ccc(NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])c(C)c1 ZINC000601989506 1032583843 /nfs/dbraw/zinc/58/38/43/1032583843.db2.gz WGGNFRVJAAHZSO-OLZOCXBDSA-N -1 0 339.457 3.707 20 0 EHADRM CCC[C@H](NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])c1ccc(F)cc1F ZINC000601991911 1032584966 /nfs/dbraw/zinc/58/49/66/1032584966.db2.gz QJYFIOGPBBMNNS-BFVZDQMLSA-N -1 0 345.411 3.517 20 0 EHADRM CC(C)[C@@H]1C[C@H](NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])c2ccccc21 ZINC000602007634 1032591131 /nfs/dbraw/zinc/59/11/31/1032591131.db2.gz JSDHXJDVZJGUCU-KNPMLCFXSA-N -1 0 335.469 3.582 20 0 EHADRM Cc1cccc2c1CCN2C(=O)c1cccc(Br)c1[O-] ZINC000592858872 1032596645 /nfs/dbraw/zinc/59/66/45/1032596645.db2.gz GZFPNTODBJZHAR-UHFFFAOYSA-N -1 0 332.197 3.666 20 0 EHADRM Cc1cc(C)cc([C@H](C)NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000592983461 1032653252 /nfs/dbraw/zinc/65/32/52/1032653252.db2.gz YAEAVZLOWHETIU-MAUKXSAKSA-N -1 0 325.408 3.739 20 0 EHADRM CCCc1cnc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)s1 ZINC000537352695 1032654463 /nfs/dbraw/zinc/65/44/63/1032654463.db2.gz HOEIRVBCAIKORO-UHFFFAOYSA-N -1 0 340.470 3.522 20 0 EHADRM O=C(N[C@H]1CCSc2c(F)cccc21)c1cc(F)c([O-])c(F)c1 ZINC000183397972 1017314848 /nfs/dbraw/zinc/31/48/48/1017314848.db2.gz YEWRCKLYKISURM-ZDUSSCGKSA-N -1 0 339.338 3.776 20 0 EHADRM O=C(N[C@@H]1CCSc2c(F)cccc21)c1cc(F)c([O-])c(F)c1 ZINC000183397988 1017315710 /nfs/dbraw/zinc/31/57/10/1017315710.db2.gz YEWRCKLYKISURM-CYBMUJFWSA-N -1 0 339.338 3.776 20 0 EHADRM O=C([O-])c1cccc(Nc2ccnc(F)c2Br)c1F ZINC001210238606 1017658667 /nfs/dbraw/zinc/65/86/67/1017658667.db2.gz KLMKBRVUBLVCGX-UHFFFAOYSA-N -1 0 329.100 3.564 20 0 EHADRM CC(C)Cc1nc(=NCc2ccc(OC(F)F)c(F)c2)s[n-]1 ZINC000549223324 1017704953 /nfs/dbraw/zinc/70/49/53/1017704953.db2.gz LWYUQORUZVSKQW-UHFFFAOYSA-N -1 0 331.363 3.511 20 0 EHADRM CC1(C)CN(C(=O)c2nn(-c3ccccc3)cc2[O-])Cc2ccccc21 ZINC000340420426 1017709622 /nfs/dbraw/zinc/70/96/22/1017709622.db2.gz POZZCLDGSSBGJH-UHFFFAOYSA-N -1 0 347.418 3.512 20 0 EHADRM CCCc1nc(C)c([N-]S(=O)(=O)c2cc(C)c(C)s2)s1 ZINC000362721346 1017859734 /nfs/dbraw/zinc/85/97/34/1017859734.db2.gz BDZIYNJPQQCTLH-UHFFFAOYSA-N -1 0 330.500 3.883 20 0 EHADRM CC(C)CN(C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1CCCC1 ZINC000655900374 1017877732 /nfs/dbraw/zinc/87/77/32/1017877732.db2.gz RMUKLODZWGZEKC-VNQPRFMTSA-N -1 0 338.492 3.732 20 0 EHADRM CCC(CC)c1n[n-]c(=NCc2nn(CC)c3ccccc23)s1 ZINC000471471805 1018060469 /nfs/dbraw/zinc/06/04/69/1018060469.db2.gz PIIJZLJRCALZLR-UHFFFAOYSA-N -1 0 329.473 3.845 20 0 EHADRM CCCC[C@@H](C(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)ccc1C)C(C)C ZINC000623025624 1018078795 /nfs/dbraw/zinc/07/87/95/1018078795.db2.gz OVVPUNGUMVSPGB-CQSZACIVSA-N -1 0 330.432 3.887 20 0 EHADRM CC(C)c1nc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)c[nH]1 ZINC000683733282 1018237182 /nfs/dbraw/zinc/23/71/82/1018237182.db2.gz NKWNDDBOHYBJEJ-UHFFFAOYSA-N -1 0 349.387 3.733 20 0 EHADRM CCC[C@H](C)C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000311979154 1018249189 /nfs/dbraw/zinc/24/91/89/1018249189.db2.gz OGDZPZBJMDIFLK-QMMMGPOBSA-N -1 0 328.206 3.830 20 0 EHADRM C[C@H](Nc1nnc(Cc2ccccc2)s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656093141 1018525095 /nfs/dbraw/zinc/52/50/95/1018525095.db2.gz UXQNIPTUDDZSHV-FPMFFAJLSA-N -1 0 345.468 3.676 20 0 EHADRM C[C@H](N=c1nc(C(F)(F)F)[n-]s1)c1cccc(N2CCCC2)c1 ZINC000580106915 1018654248 /nfs/dbraw/zinc/65/42/48/1018654248.db2.gz BKCKUMVSWJRJSQ-JTQLQIEISA-N -1 0 342.390 3.752 20 0 EHADRM CC[C@H](NC(=O)/C=C/c1cc(C)n(C2CCCCC2)c1C)C(=O)[O-] ZINC000237045369 1018735380 /nfs/dbraw/zinc/73/53/80/1018735380.db2.gz RCGYMTXJADDLRM-DVQDXYAYSA-N -1 0 332.444 3.603 20 0 EHADRM CCCn1ncc([N-]S(=O)(=O)c2ccc(CC)s2)c1C1CC1 ZINC000571374856 1018849224 /nfs/dbraw/zinc/84/92/24/1018849224.db2.gz PIBLQWOSVFHSQC-UHFFFAOYSA-N -1 0 339.486 3.595 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)Nc1ccc(C)c(-c2ncco2)c1)C1CC1 ZINC000580271895 1018902848 /nfs/dbraw/zinc/90/28/48/1018902848.db2.gz BAFMJDVQZVFQMY-HNNXBMFYSA-N -1 0 343.383 3.510 20 0 EHADRM CS(=O)(=O)c1ccc(O)c(Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC001210929051 1019078752 /nfs/dbraw/zinc/07/87/52/1019078752.db2.gz RLGPQBZDFPNCNN-UHFFFAOYSA-N -1 0 348.207 3.552 20 0 EHADRM Nc1cc2c(ccn2-c2ccccc2C(=O)[O-])cc1Br ZINC001210969367 1019149768 /nfs/dbraw/zinc/14/97/68/1019149768.db2.gz QNLQVCYBPRIDPS-UHFFFAOYSA-N -1 0 331.169 3.673 20 0 EHADRM COc1cc(Br)c(O)c(Nc2ccccc2C(=O)[O-])c1 ZINC001210967530 1019150118 /nfs/dbraw/zinc/15/01/18/1019150118.db2.gz HRBRXAPVWVLVOP-UHFFFAOYSA-N -1 0 338.157 3.605 20 0 EHADRM O=C([O-])[C@@]1(NCc2cc3ccccc3o2)CCc2c1cccc2F ZINC000340675807 1019154395 /nfs/dbraw/zinc/15/43/95/1019154395.db2.gz HSCFQALNMANRNP-LJQANCHMSA-N -1 0 325.339 3.588 20 0 EHADRM Cc1nn(Cc2ccccc2)c(C)c1CNc1cccc(C(=O)[O-])c1 ZINC000340681573 1019245047 /nfs/dbraw/zinc/24/50/47/1019245047.db2.gz LTQSKXZRBCCOJY-UHFFFAOYSA-N -1 0 335.407 3.859 20 0 EHADRM Cc1ccc(NC(=O)N[C@H](Cc2cccc3ccccc32)C(=O)[O-])cc1 ZINC000683921611 1019245296 /nfs/dbraw/zinc/24/52/96/1019245296.db2.gz VLFLROIHXLCSFY-LJQANCHMSA-N -1 0 348.402 3.966 20 0 EHADRM O=C([N-]S(=O)(=O)Cc1ccccc1)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000050205098 1019265143 /nfs/dbraw/zinc/26/51/43/1019265143.db2.gz FDEAYKFATCPKOL-HOTGVXAUSA-N -1 0 349.839 3.930 20 0 EHADRM O=C([O-])c1csc([C@@H]2CCCN2c2cccc(C(F)(F)F)n2)n1 ZINC000580436092 1019364436 /nfs/dbraw/zinc/36/44/36/1019364436.db2.gz NYYTWGVIAAFDNF-VIFPVBQESA-N -1 0 343.330 3.597 20 0 EHADRM CCOC(=O)c1cnc(/C=C/c2ccc(OCC)cc2)c(C(=O)[O-])c1 ZINC000513227099 1019442985 /nfs/dbraw/zinc/44/29/85/1019442985.db2.gz AORWAKFKBUPXEY-JXMROGBWSA-N -1 0 341.363 3.526 20 0 EHADRM CCOC(=O)c1cnc(/C=C\c2ccc(Cl)s2)c(C(=O)[O-])c1 ZINC000513228855 1019445462 /nfs/dbraw/zinc/44/54/62/1019445462.db2.gz MYCXBRBNCVBIBK-HYXAFXHYSA-N -1 0 337.784 3.842 20 0 EHADRM CCC[C@H](NC(=O)N=c1nc([C@@H](C)OC)[n-]s1)C1CCCCC1 ZINC000580499755 1019500231 /nfs/dbraw/zinc/50/02/31/1019500231.db2.gz KLRYBBJBHWXRKJ-YPMHNXCESA-N -1 0 340.493 3.538 20 0 EHADRM CN(C)c1ccc(C(=O)Nc2cc(F)cc(Cl)c2[O-])cc1F ZINC000548106588 1019544771 /nfs/dbraw/zinc/54/47/71/1019544771.db2.gz OWZQMEJKOVXMJC-UHFFFAOYSA-N -1 0 326.730 3.642 20 0 EHADRM COc1cc(NC(=O)C2(c3cccc(C)c3)CCC2)ccc1C(=O)[O-] ZINC000327865098 1019589192 /nfs/dbraw/zinc/58/91/92/1019589192.db2.gz XRDRATYGXFKZJH-UHFFFAOYSA-N -1 0 339.391 3.762 20 0 EHADRM CC(C)(C)n1ccc(C(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)n1 ZINC000656250508 1019628225 /nfs/dbraw/zinc/62/82/25/1019628225.db2.gz GTCQMOPKJXHYHT-OAHLLOKOSA-N -1 0 349.475 3.572 20 0 EHADRM CC[C@H](C)c1ncc([N-]S(=O)(=O)c2cc(Cl)ccc2F)cn1 ZINC000340727556 1019644932 /nfs/dbraw/zinc/64/49/32/1019644932.db2.gz YTAVDGBJANGIBG-VIFPVBQESA-N -1 0 343.811 3.583 20 0 EHADRM Cc1oc(CN(C)C(=O)C[C@H](C)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000262540629 1019659979 /nfs/dbraw/zinc/65/99/79/1019659979.db2.gz UXZXDHRYKDBJHN-NSHDSACASA-N -1 0 333.359 3.578 20 0 EHADRM CSCCc1ccc([N-]S(=O)(=O)c2cccc(C)c2F)cc1 ZINC000513445984 1019665406 /nfs/dbraw/zinc/66/54/06/1019665406.db2.gz AAILBGZNHKZLKC-UHFFFAOYSA-N -1 0 339.457 3.840 20 0 EHADRM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1ccc(N(C)C)cc1 ZINC000760311538 1032845649 /nfs/dbraw/zinc/84/56/49/1032845649.db2.gz PZBSGYXWMNMPSP-UHFFFAOYSA-N -1 0 348.399 3.747 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H]2CCCCN2C2CCCC2)c1 ZINC000564397596 1019715613 /nfs/dbraw/zinc/71/56/13/1019715613.db2.gz YUCURBYQGNNJRH-QGZVFWFLSA-N -1 0 344.455 3.721 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)N[C@H](C(=O)[O-])[C@H](C)CC)cc1 ZINC000580609941 1019739427 /nfs/dbraw/zinc/73/94/27/1019739427.db2.gz HRZNGATVYRIPIA-XUJVJEKNSA-N -1 0 338.473 3.658 20 0 EHADRM COc1ccc2sc(C(=O)N[C@@](C)(CC(=O)[O-])C(C)C)c(C)c2c1 ZINC000262976971 1019781663 /nfs/dbraw/zinc/78/16/63/1019781663.db2.gz NCHAZBKOTJHCAZ-SFHVURJKSA-N -1 0 349.452 3.838 20 0 EHADRM CC(C)(CCNC(=O)CCCc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000263144268 1019827343 /nfs/dbraw/zinc/82/73/43/1019827343.db2.gz WWGTWWXIHKUWEV-UHFFFAOYSA-N -1 0 345.361 3.645 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000263254777 1019853009 /nfs/dbraw/zinc/85/30/09/1019853009.db2.gz FMCDZCXMUPLSOF-UHFFFAOYSA-N -1 0 341.407 3.987 20 0 EHADRM CC[C@H](Cc1ccccc1)N(CC)C(=O)c1ccc(C(=O)[O-])c(C)n1 ZINC000263352243 1019882053 /nfs/dbraw/zinc/88/20/53/1019882053.db2.gz QDZSEWDYQYHJIY-MRXNPFEDSA-N -1 0 340.423 3.572 20 0 EHADRM CC(C)OCCCNC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000263395127 1019895146 /nfs/dbraw/zinc/89/51/46/1019895146.db2.gz FHSXDFGSOIUKLG-UHFFFAOYSA-N -1 0 341.407 3.597 20 0 EHADRM C[C@@H](NC(=O)CCCc1cc(Cl)sc1Cl)[C@@H](C)C(=O)[O-] ZINC000263448316 1019907347 /nfs/dbraw/zinc/90/73/47/1019907347.db2.gz NQBCFWOMEYZGGA-HTQZYQBOSA-N -1 0 338.256 3.603 20 0 EHADRM Cc1cc(C)c(Nc2ccc(Cl)nc2Cl)c(S(=O)(=O)[O-])c1 ZINC001211277197 1019914052 /nfs/dbraw/zinc/91/40/52/1019914052.db2.gz HPKCPXLOMQBPPD-UHFFFAOYSA-N -1 0 347.223 3.996 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000430520909 1020060680 /nfs/dbraw/zinc/06/06/80/1020060680.db2.gz CGUBFVSJIUAKPZ-BPNCWPANSA-N -1 0 341.461 3.677 20 0 EHADRM CCCc1cnc([N-]S(=O)(=O)c2cnc3ccsc3c2)s1 ZINC000345207515 1020061541 /nfs/dbraw/zinc/06/15/41/1020061541.db2.gz QTRBFVWZWPCNTN-UHFFFAOYSA-N -1 0 339.467 3.506 20 0 EHADRM O=C(CCCc1ccc(O)c(F)c1)NCc1nc2c(s1)CCCC2 ZINC000345403417 1020247116 /nfs/dbraw/zinc/24/71/16/1020247116.db2.gz NKMJTQKNPVYUTQ-UHFFFAOYSA-N -1 0 348.443 3.506 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3cc[nH]c32)c1 ZINC000548150059 1020312833 /nfs/dbraw/zinc/31/28/33/1020312833.db2.gz BHLXNOYYPPNWFF-UHFFFAOYSA-N -1 0 336.800 3.631 20 0 EHADRM O=S(=O)([N-]c1cccc2cc[nH]c21)c1c[nH]c2cccc(F)c21 ZINC000548150216 1020322593 /nfs/dbraw/zinc/32/25/93/1020322593.db2.gz ALTTUESXOFVCPT-UHFFFAOYSA-N -1 0 329.356 3.589 20 0 EHADRM CCC(C)(C)c1ccc(NC(=O)C[C@@]2(C(=O)[O-])CCSC2)cc1 ZINC000684133541 1020347026 /nfs/dbraw/zinc/34/70/26/1020347026.db2.gz QXLMMXZCKUTTGI-SFHVURJKSA-N -1 0 335.469 3.911 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cc2ccccc2c(=O)o1 ZINC000345617892 1020388405 /nfs/dbraw/zinc/38/84/05/1020388405.db2.gz FSUYPNOXBWHJHS-UHFFFAOYSA-N -1 0 333.702 3.543 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cncc(Br)c1 ZINC000345654443 1020428911 /nfs/dbraw/zinc/42/89/11/1020428911.db2.gz XXVDHBNQCCLOLG-UHFFFAOYSA-N -1 0 345.555 3.595 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)C(=O)c1ccc(Cl)cc1 ZINC000345654437 1020429421 /nfs/dbraw/zinc/42/94/21/1020429421.db2.gz XVINHKQOYIQSEN-UHFFFAOYSA-N -1 0 328.126 3.660 20 0 EHADRM Cc1ccc(S[C@@H](C)C(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000345769134 1020500317 /nfs/dbraw/zinc/50/03/17/1020500317.db2.gz GEEJUSWPSVELLV-ZDUSSCGKSA-N -1 0 329.421 3.741 20 0 EHADRM C[C@H](CC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-])Cc1cccc(F)c1 ZINC000345771245 1020501590 /nfs/dbraw/zinc/50/15/90/1020501590.db2.gz FTONFDXLQIQAGM-PLYYQAHHSA-N -1 0 347.430 3.639 20 0 EHADRM COc1ccc2cc(CN(C)C(=O)c3ccc(C(=O)[O-])cc3)ccc2c1 ZINC000345775156 1020503883 /nfs/dbraw/zinc/50/38/83/1020503883.db2.gz BNGDZOCNJXHPEK-UHFFFAOYSA-N -1 0 349.386 3.819 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@@H](C)Sc1ccccc1 ZINC000345864220 1020563865 /nfs/dbraw/zinc/56/38/65/1020563865.db2.gz MOOFLZDAZWTNNZ-CYBMUJFWSA-N -1 0 345.420 3.578 20 0 EHADRM C[C@@H](C(=O)Nc1cc(I)ccc1O)C(C)(C)C ZINC000610491157 1020603621 /nfs/dbraw/zinc/60/36/21/1020603621.db2.gz VKFLPMLIGOCRCL-QMMMGPOBSA-N -1 0 347.196 3.618 20 0 EHADRM CSc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)o1 ZINC000345909550 1020604767 /nfs/dbraw/zinc/60/47/67/1020604767.db2.gz PAFYBVHLGJTRCP-LLVKDONJSA-N -1 0 339.800 3.601 20 0 EHADRM Cn1cc(/C=C/c2ncc(/C=C/C(=O)[O-])s2)c(-c2cccs2)n1 ZINC000093902009 1032921108 /nfs/dbraw/zinc/92/11/08/1032921108.db2.gz XQJBLYBOZSEUOO-YDFGWWAZSA-N -1 0 343.433 3.873 20 0 EHADRM O=C([O-])CC1(CC(=O)NCc2cc(Cl)cc(Cl)c2)CCC1 ZINC000656484149 1020702708 /nfs/dbraw/zinc/70/27/08/1020702708.db2.gz LXEQZOFHRZIOPD-UHFFFAOYSA-N -1 0 330.211 3.645 20 0 EHADRM COc1cc(F)c(NC(=O)c2ccc3[n-]c(=S)oc3c2)cc1OC ZINC000172791344 1032927336 /nfs/dbraw/zinc/92/73/36/1032927336.db2.gz FOOZZGXXILDNRT-UHFFFAOYSA-N -1 0 348.355 3.525 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N[C@@H]2CC23CCCC3)s1 ZINC000471649377 1020817215 /nfs/dbraw/zinc/81/72/15/1020817215.db2.gz QRYBMIGOQKANAF-CYBMUJFWSA-N -1 0 346.431 3.529 20 0 EHADRM Cc1ccc(C)c(C(=O)NC[C@H]2CCCCC2(F)F)c1C(=O)[O-] ZINC000389749260 1020845921 /nfs/dbraw/zinc/84/59/21/1020845921.db2.gz VAXYPLHVEYBLTL-GFCCVEGCSA-N -1 0 325.355 3.557 20 0 EHADRM Cc1ccc(CSCCNC(=O)c2c(F)ccc(O)c2F)cc1 ZINC000581515252 1021035583 /nfs/dbraw/zinc/03/55/83/1021035583.db2.gz HTFCNRJDXLFDKU-UHFFFAOYSA-N -1 0 337.391 3.642 20 0 EHADRM Cc1oc([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)nc1C1CC1 ZINC000581529762 1021059945 /nfs/dbraw/zinc/05/99/45/1021059945.db2.gz RRZIJBKAESBOAV-UHFFFAOYSA-N -1 0 344.795 3.595 20 0 EHADRM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2cnoc2C2CC2)c1 ZINC000656630890 1021062704 /nfs/dbraw/zinc/06/27/04/1021062704.db2.gz GNAQDXMFJMHRCQ-LLVKDONJSA-N -1 0 336.413 3.530 20 0 EHADRM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2cnoc2C2CC2)c1 ZINC000656630891 1021062750 /nfs/dbraw/zinc/06/27/50/1021062750.db2.gz GNAQDXMFJMHRCQ-NSHDSACASA-N -1 0 336.413 3.530 20 0 EHADRM Cc1nn(C)c(NC(=O)c2cc(Cl)c3ccccc3c2[O-])c1C ZINC000094124633 1032951503 /nfs/dbraw/zinc/95/15/03/1032951503.db2.gz PPWBVIQLYSXEPU-UHFFFAOYSA-N -1 0 329.787 3.801 20 0 EHADRM O=c1cc([C@@H]2CCN(c3nc4cc(Cl)cc(Cl)c4o3)C2)[nH][nH]1 ZINC000894375132 1021163157 /nfs/dbraw/zinc/16/31/57/1021163157.db2.gz MQKIBCYXMKLNGQ-SSDOTTSWSA-N -1 0 339.182 3.557 20 0 EHADRM CCSc1cc(C(=O)Nc2cc(Cl)c([O-])cc2F)ccn1 ZINC000436774550 1021205385 /nfs/dbraw/zinc/20/53/85/1021205385.db2.gz SUDIJKWNBNEOAL-UHFFFAOYSA-N -1 0 326.780 3.944 20 0 EHADRM COc1cc(C(=O)N[C@H](C)c2cc(C)ccc2OC)cc(Cl)c1O ZINC000436766207 1021213300 /nfs/dbraw/zinc/21/33/00/1021213300.db2.gz RNNDIEAFEJVCOI-LLVKDONJSA-N -1 0 349.814 3.862 20 0 EHADRM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2c(C)ccnc2C)c1 ZINC000656736806 1021232735 /nfs/dbraw/zinc/23/27/35/1021232735.db2.gz DNJJYQRYBVGLFX-ZDUSSCGKSA-N -1 0 334.441 3.677 20 0 EHADRM Cc1cc(F)c(S(=O)(=O)[N-]c2nccc(C)c2C2CC2)c(F)c1 ZINC000656739896 1021236188 /nfs/dbraw/zinc/23/61/88/1021236188.db2.gz URPLOBDKJXTTPB-UHFFFAOYSA-N -1 0 338.379 3.655 20 0 EHADRM COc1cccc(S(=O)(=O)[N-]c2nc(C(C)C)c(C)s2)c1F ZINC000656740336 1021237481 /nfs/dbraw/zinc/23/74/81/1021237481.db2.gz LVSREWNPEIHESD-UHFFFAOYSA-N -1 0 344.433 3.523 20 0 EHADRM CCn1ncc(C)c1[N-]S(=O)(=O)c1cc2cccc(C)c2s1 ZINC000656741546 1021238726 /nfs/dbraw/zinc/23/87/26/1021238726.db2.gz QNLDAMTZCAKBEK-UHFFFAOYSA-N -1 0 335.454 3.535 20 0 EHADRM Cc1ccc(C(=O)N=c2nc(-c3ccccc3)[n-]s2)c(Cl)c1 ZINC000427251686 1021257226 /nfs/dbraw/zinc/25/72/26/1021257226.db2.gz XWCBHRGPDWYGFL-UHFFFAOYSA-N -1 0 329.812 3.841 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(F)c([O-])c(Cl)c2)Cc2ccccc2O1 ZINC000436816007 1021259390 /nfs/dbraw/zinc/25/93/90/1021259390.db2.gz RKHZESPNZIRLRZ-JTQLQIEISA-N -1 0 335.762 3.608 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(F)c(F)c2[O-])c2ccc(F)cc2n1 ZINC001625987890 1032963549 /nfs/dbraw/zinc/96/35/49/1032963549.db2.gz HLYDYRTUUNLOCM-UHFFFAOYSA-N -1 0 332.281 3.918 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]C(=O)c2cc3ccccc3s2)cc1 ZINC000048581667 1021269005 /nfs/dbraw/zinc/26/90/05/1021269005.db2.gz DJQDTGFYEAYTPO-UHFFFAOYSA-N -1 0 347.417 3.603 20 0 EHADRM FC(F)(F)Cc1n[n-]c(=NCc2ccc3c(c2)CCCC3)s1 ZINC000427271497 1021270022 /nfs/dbraw/zinc/27/00/22/1021270022.db2.gz FVEFRZUKLHYMTP-UHFFFAOYSA-N -1 0 327.375 3.556 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cn(C)c3ccc(F)cc23)c1 ZINC000436837449 1021270764 /nfs/dbraw/zinc/27/07/64/1021270764.db2.gz OVJVZGMZQAALOD-UHFFFAOYSA-N -1 0 340.354 3.868 20 0 EHADRM CC(C)(C)C(=O)Nc1ccccc1C(=O)Nc1ccc(F)c(F)c1[O-] ZINC001625987913 1032964345 /nfs/dbraw/zinc/96/43/45/1032964345.db2.gz ICMGHIWZOIEVBD-UHFFFAOYSA-N -1 0 348.349 3.907 20 0 EHADRM CC[C@]1(C)CCCN(C(=O)c2cc(F)cc(Br)c2[O-])C1 ZINC000436856042 1021283260 /nfs/dbraw/zinc/28/32/60/1021283260.db2.gz XCGYZNKGMYTAQE-OAHLLOKOSA-N -1 0 344.224 3.946 20 0 EHADRM O=C(Nc1ncc(-c2cccnc2)s1)c1cc(Cl)ccc1[O-] ZINC000436839863 1021285330 /nfs/dbraw/zinc/28/53/30/1021285330.db2.gz NNNVCMXROXHZST-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM CC(=O)c1ccsc1[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000427320550 1021297865 /nfs/dbraw/zinc/29/78/65/1021297865.db2.gz MZWBGSJCJBYQLQ-UHFFFAOYSA-N -1 0 343.857 3.589 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)c1 ZINC000436860204 1021298660 /nfs/dbraw/zinc/29/86/60/1021298660.db2.gz FOYJWTIKZUZSAN-UHFFFAOYSA-N -1 0 349.390 3.650 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)COc2cccc(Cl)c2C)c1 ZINC000436875040 1021317910 /nfs/dbraw/zinc/31/79/10/1021317910.db2.gz BZRSFNMCABXCGN-UHFFFAOYSA-N -1 0 333.771 3.574 20 0 EHADRM O=C(Nc1nc2cc(C(F)(F)F)ccc2[nH]1)c1c([O-])cccc1F ZINC000436895339 1021324580 /nfs/dbraw/zinc/32/45/80/1021324580.db2.gz IILCOCHDNXOBBU-UHFFFAOYSA-N -1 0 339.248 3.679 20 0 EHADRM CSc1cccc(S(=O)(=O)[N-]c2cccnc2C(F)(F)F)c1 ZINC000342749618 1021355299 /nfs/dbraw/zinc/35/52/99/1021355299.db2.gz KVMYNSJMCZXTRN-UHFFFAOYSA-N -1 0 348.371 3.623 20 0 EHADRM CCC1(CC)CN(C(=O)c2cc(F)c([O-])c(Cl)c2)CCS1 ZINC000436898401 1021363788 /nfs/dbraw/zinc/36/37/88/1021363788.db2.gz ANKKAEXWQNWRHE-UHFFFAOYSA-N -1 0 331.840 3.933 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2CC[C@H](c3ccccc3)C[C@@H]2C)s1 ZINC000439342931 1021371699 /nfs/dbraw/zinc/37/16/99/1021371699.db2.gz HZMCJOHAFAGHAR-ZFWWWQNUSA-N -1 0 344.484 3.713 20 0 EHADRM CCc1ccsc1C(=O)Nc1n[nH]c(-c2ccc(O)c(Cl)c2)n1 ZINC000436914623 1021372210 /nfs/dbraw/zinc/37/22/10/1021372210.db2.gz KKKSTJTVZACUSO-UHFFFAOYSA-N -1 0 348.815 3.707 20 0 EHADRM CN(C)c1ccccc1CN(C)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436926800 1021386662 /nfs/dbraw/zinc/38/66/62/1021386662.db2.gz NMMNBTCRMYPUOU-UHFFFAOYSA-N -1 0 336.794 3.523 20 0 EHADRM CCCN(C(=O)c1c([O-])cccc1F)[C@H]1CCc2ccccc2C1 ZINC000436948128 1021407538 /nfs/dbraw/zinc/40/75/38/1021407538.db2.gz HXVDOVHUAPBYKP-INIZCTEOSA-N -1 0 327.399 3.941 20 0 EHADRM COc1cccc(-n2nc(C)cc2Nc2ccc(C(=O)[O-])cc2C)c1 ZINC001211621138 1032978929 /nfs/dbraw/zinc/97/89/29/1032978929.db2.gz YNUDFHXPQKUBGI-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM Cc1ccc2c(c1C)OC[C@@H]2NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436978027 1021434937 /nfs/dbraw/zinc/43/49/37/1021434937.db2.gz GATPOLRWWCNETD-AWEZNQCLSA-N -1 0 335.762 3.665 20 0 EHADRM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cc(F)c([O-])c(F)c1)[C@@H]2C ZINC000436970230 1021441759 /nfs/dbraw/zinc/44/17/59/1021441759.db2.gz LBLZNVWLZHVHMP-WDEREUQCSA-N -1 0 347.361 3.827 20 0 EHADRM O=C(Nc1ccc(-c2cc(=O)[nH][nH]2)cc1)c1cc(F)c([O-])c(Cl)c1 ZINC000437003562 1021460064 /nfs/dbraw/zinc/46/00/64/1021460064.db2.gz KDMIHEJHPOAWGP-UHFFFAOYSA-N -1 0 347.733 3.533 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCn1ccc2ccccc21)C1CCCCC1 ZINC000345997656 1021488753 /nfs/dbraw/zinc/48/87/53/1021488753.db2.gz MIAPIDRMXNMSIX-QGZVFWFLSA-N -1 0 342.439 3.571 20 0 EHADRM Cc1c(NC(=O)CCSc2ccc(F)cc2)cccc1C(=O)[O-] ZINC000390858254 1021494538 /nfs/dbraw/zinc/49/45/38/1021494538.db2.gz ARCCTFJIQXEHOT-UHFFFAOYSA-N -1 0 333.384 3.953 20 0 EHADRM CCCc1cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)sc1C ZINC000126704135 1021520691 /nfs/dbraw/zinc/52/06/91/1021520691.db2.gz IXZNCXVKHAVRIC-MRXNPFEDSA-N -1 0 340.448 3.648 20 0 EHADRM CCN(C(=O)c1nn(-c2cccc(F)c2)cc1[O-])[C@@H]1CCCC[C@H]1C ZINC000550298386 1021521967 /nfs/dbraw/zinc/52/19/67/1021521967.db2.gz AXWDXKLSFKVNKX-CZUORRHYSA-N -1 0 345.418 3.758 20 0 EHADRM O=C(CCCc1cccs1)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000048616631 1021572097 /nfs/dbraw/zinc/57/20/97/1021572097.db2.gz HASQZCSVNXEEIQ-UHFFFAOYSA-N -1 0 345.392 3.694 20 0 EHADRM CC(C)Cc1ccc(S(=O)(=O)[N-]c2nnc(C(C)C)s2)cc1 ZINC000437171891 1021610170 /nfs/dbraw/zinc/61/01/70/1021610170.db2.gz PBAMXWGNPNJEPT-UHFFFAOYSA-N -1 0 339.486 3.661 20 0 EHADRM O=C([O-])[C@@H](NCc1nc(-c2ccccc2)cs1)c1ccc(F)cc1 ZINC000426770933 1021655614 /nfs/dbraw/zinc/65/56/14/1021655614.db2.gz XLRVRHZLLVKJCC-KRWDZBQOSA-N -1 0 342.395 3.865 20 0 EHADRM CCC(C)(C)c1ccc(CNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000439698341 1021659770 /nfs/dbraw/zinc/65/97/70/1021659770.db2.gz MKFFSKYFBBCKHU-HZPDHXFCSA-N -1 0 331.456 3.881 20 0 EHADRM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000439720693 1021672502 /nfs/dbraw/zinc/67/25/02/1021672502.db2.gz RIQALRNQTHAAQF-GUYCJALGSA-N -1 0 347.455 3.808 20 0 EHADRM O=C(Cc1cnc2ccccc2c1)Nc1cc(F)cc(Cl)c1[O-] ZINC000439722304 1021672516 /nfs/dbraw/zinc/67/25/16/1021672516.db2.gz RYBBOUMFUKNXQB-UHFFFAOYSA-N -1 0 330.746 3.914 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccsc2)s1)N(CC1CC1)CC1CCC1 ZINC000519801240 1021693026 /nfs/dbraw/zinc/69/30/26/1021693026.db2.gz GJTJTYLVZVCPAS-UHFFFAOYSA-N -1 0 348.497 3.733 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)NC1(c2ccc(F)cc2F)CCCCC1 ZINC000519837224 1021711729 /nfs/dbraw/zinc/71/17/29/1021711729.db2.gz TVTREESAHQGVDE-GFCCVEGCSA-N -1 0 339.382 3.741 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2c(F)cccc2F)c2cccnc2c1C ZINC000437327693 1021739192 /nfs/dbraw/zinc/73/91/92/1021739192.db2.gz REZRIGYOMCRCMX-UHFFFAOYSA-N -1 0 348.374 3.931 20 0 EHADRM CCCC[C@H](C)N(C)C(=O)N=c1[n-]nc(-c2ccc(OC)cc2)s1 ZINC000519037184 1021793843 /nfs/dbraw/zinc/79/38/43/1021793843.db2.gz TVRLQAHZFMJPDP-LBPRGKRZSA-N -1 0 348.472 3.678 20 0 EHADRM CCCCCS(=O)(=O)Nc1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000548231377 1021805936 /nfs/dbraw/zinc/80/59/36/1021805936.db2.gz WYLBWBRYJWCHQC-UHFFFAOYSA-N -1 0 340.228 3.624 20 0 EHADRM CCc1ccc(C(C)(C)C(=O)NCCc2ccc(C(=O)[O-])cc2)cc1 ZINC000439915329 1021820122 /nfs/dbraw/zinc/82/01/22/1021820122.db2.gz XJTBQQHNMJQCTI-UHFFFAOYSA-N -1 0 339.435 3.584 20 0 EHADRM CCN(C(=O)N(CCCC(=O)[O-])Cc1ccccc1Cl)C(C)C ZINC000548236681 1021837601 /nfs/dbraw/zinc/83/76/01/1021837601.db2.gz HJQPCJPBKGVOCZ-UHFFFAOYSA-N -1 0 340.851 3.857 20 0 EHADRM C[C@H]1CO[C@@H](c2ccccc2Cl)CN1Cc1ccoc1C(=O)[O-] ZINC000516932622 1021868849 /nfs/dbraw/zinc/86/88/49/1021868849.db2.gz WSQVVRTVWPATCB-XHDPSFHLSA-N -1 0 335.787 3.593 20 0 EHADRM CCOc1ccc([C@@H](C)N=c2nc(C3CC3)[n-]s2)cc1OCC ZINC000426564593 1021925078 /nfs/dbraw/zinc/92/50/78/1021925078.db2.gz GRRWJHJJQOXRHV-LLVKDONJSA-N -1 0 333.457 3.808 20 0 EHADRM CCc1nc(=NCc2cccc(COCc3ccccc3)c2)s[n-]1 ZINC000426568795 1021942694 /nfs/dbraw/zinc/94/26/94/1021942694.db2.gz UBVISJGXOOAZDQ-UHFFFAOYSA-N -1 0 339.464 3.851 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(C)C(=O)N=c1[n-]nc(CC(C)C)s1 ZINC000437591898 1021980809 /nfs/dbraw/zinc/98/08/09/1021980809.db2.gz KDOTUGREZUQUNR-HNNXBMFYSA-N -1 0 346.500 3.644 20 0 EHADRM O=C([O-])c1ccc([C@H](NC(=O)[C@@H]2CC23CCCC3)C(F)(F)F)cc1 ZINC000517074562 1021984488 /nfs/dbraw/zinc/98/44/88/1021984488.db2.gz YOCNENOABVTNKG-STQMWFEESA-N -1 0 341.329 3.685 20 0 EHADRM O=C(c1cccc(Br)c1[O-])N1CCC[C@H]1c1ccccn1 ZINC000519333061 1022017926 /nfs/dbraw/zinc/01/79/26/1022017926.db2.gz XMROSKDGYAEGPL-AWEZNQCLSA-N -1 0 347.212 3.527 20 0 EHADRM CCC[C@H]1[C@@H](C)CCCN1C(=O)N=c1[n-]nc(SCC)s1 ZINC000437653626 1022031332 /nfs/dbraw/zinc/03/13/32/1022031332.db2.gz KNEYLSQNBUEWFO-QWRGUYRKSA-N -1 0 328.507 3.505 20 0 EHADRM COc1ccc(-c2n[n-]c(=NC[C@@H](C)c3nc(C)cs3)s2)cc1 ZINC000519375223 1022047093 /nfs/dbraw/zinc/04/70/93/1022047093.db2.gz XUGJGNYYKHLTHI-SNVBAGLBSA-N -1 0 346.481 3.616 20 0 EHADRM Cc1cc(CN2CCO[C@@H](c3cccc(Cl)c3)C2)oc1C(=O)[O-] ZINC000520242090 1022052663 /nfs/dbraw/zinc/05/26/63/1022052663.db2.gz YXVZQQSONBTLSI-OAHLLOKOSA-N -1 0 335.787 3.513 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)nnc1C ZINC000506822827 1022092045 /nfs/dbraw/zinc/09/20/45/1022092045.db2.gz UUIJASBEPRNQOQ-UHFFFAOYSA-N -1 0 339.420 3.561 20 0 EHADRM CCc1nc(C)c([N-]S(=O)(=O)c2cccc3ccc(C)nc32)s1 ZINC000548290402 1022102016 /nfs/dbraw/zinc/10/20/16/1022102016.db2.gz CTBIGZVZWMPIOK-UHFFFAOYSA-N -1 0 347.465 3.671 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cc1)c1ccccc1OC(F)(F)F ZINC000142053886 1033038338 /nfs/dbraw/zinc/03/83/38/1033038338.db2.gz LNCKMMZITIOYAM-UHFFFAOYSA-N -1 0 335.278 3.525 20 0 EHADRM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2conc2C)C1 ZINC000519522644 1022240529 /nfs/dbraw/zinc/24/05/29/1022240529.db2.gz CHXYKFGWLQQJRF-MDWZMJQESA-N -1 0 349.390 3.606 20 0 EHADRM O=S(=O)([N-]c1nc2ccccc2[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000110536806 1022305106 /nfs/dbraw/zinc/30/51/06/1022305106.db2.gz BSNXUTSKGPONRP-UHFFFAOYSA-N -1 0 342.207 3.671 20 0 EHADRM O=C(NCCCc1c[nH]c2ccc(F)cc12)c1c([O-])cc(F)cc1F ZINC000669746301 1033046349 /nfs/dbraw/zinc/04/63/49/1033046349.db2.gz HZECJOXOXADYNT-UHFFFAOYSA-N -1 0 348.324 3.653 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)CCSc2ccccc2)cc1 ZINC000319931344 1022385182 /nfs/dbraw/zinc/38/51/82/1022385182.db2.gz APRIAIMTXRMVOB-FLIBITNWSA-N -1 0 327.405 3.905 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2nnc(C(C)(C)C)s2)c1 ZINC000120363682 1022462054 /nfs/dbraw/zinc/46/20/54/1022462054.db2.gz ZDHNRWVVFXRDJE-UHFFFAOYSA-N -1 0 345.877 3.598 20 0 EHADRM O=S(=O)([N-]c1cc(C2CC2)[nH]n1)c1cccc(-c2ccccc2)c1 ZINC000506846922 1022477260 /nfs/dbraw/zinc/47/72/60/1022477260.db2.gz LTTVGKJTMPBIBC-UHFFFAOYSA-N -1 0 339.420 3.755 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccccc2)cn1)c1cc(F)ccc1F ZINC000517611154 1022487070 /nfs/dbraw/zinc/48/70/70/1022487070.db2.gz ANEQYAGCGARPCQ-UHFFFAOYSA-N -1 0 346.358 3.828 20 0 EHADRM CCc1[nH]nc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)c1C ZINC000438226776 1022487759 /nfs/dbraw/zinc/48/77/59/1022487759.db2.gz AVGPIRDXGHUAJD-UHFFFAOYSA-N -1 0 349.843 3.888 20 0 EHADRM COc1c2ccccc2oc1CN=c1[n-]nc(-c2ccccc2)s1 ZINC000473710796 1022578963 /nfs/dbraw/zinc/57/89/63/1022578963.db2.gz QGIDIVUHXALTGQ-UHFFFAOYSA-N -1 0 337.404 3.994 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)on1 ZINC000330453902 1022583899 /nfs/dbraw/zinc/58/38/99/1022583899.db2.gz LRTSJJUUYLGFLV-UHFFFAOYSA-N -1 0 332.784 3.565 20 0 EHADRM CCn1nc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1C1CC1 ZINC000425991908 1022609551 /nfs/dbraw/zinc/60/95/51/1022609551.db2.gz YVXVINJQPLLJLY-UHFFFAOYSA-N -1 0 347.484 3.879 20 0 EHADRM Cc1cc(=NC(=O)Cc2cc3c(ccc4ccccc34)o2)[n-]nc1C ZINC000510514776 1022621507 /nfs/dbraw/zinc/62/15/07/1022621507.db2.gz NZRKSVBMCCBZGW-UHFFFAOYSA-N -1 0 331.375 3.596 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])[C@@H](C)[C@@H](C)O1 ZINC000438392787 1022631847 /nfs/dbraw/zinc/63/18/47/1022631847.db2.gz FCYSJVKQNPWEHD-GRYCIOLGSA-N -1 0 333.815 3.837 20 0 EHADRM CN(Cc1ccc(Cl)cc1)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000330636454 1022637378 /nfs/dbraw/zinc/63/73/78/1022637378.db2.gz NMTBXLYNOAOPFS-UHFFFAOYSA-N -1 0 338.864 3.575 20 0 EHADRM Fc1cc(F)cc(O[C@@H]2CCC[C@@H]2N=c2[n-]nc(C(F)F)s2)c1 ZINC000557727714 1022642610 /nfs/dbraw/zinc/64/26/10/1022642610.db2.gz WDDDUYLIZDBYLJ-WDEREUQCSA-N -1 0 347.337 3.588 20 0 EHADRM Cc1ccc(-c2ccc(CNCc3nc(C(=O)[O-])cs3)o2)cc1 ZINC000426667932 1022721375 /nfs/dbraw/zinc/72/13/75/1022721375.db2.gz BEPDUCDPLZLEJC-UHFFFAOYSA-N -1 0 328.393 3.700 20 0 EHADRM Cc1ccc(-c2cncc(F)c2)cc1NC(=O)NCCCCC(=O)[O-] ZINC000669505780 1033075772 /nfs/dbraw/zinc/07/57/72/1033075772.db2.gz ALAZXCWYMLQTLV-UHFFFAOYSA-N -1 0 345.374 3.573 20 0 EHADRM CCc1nc(C)c([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)s1 ZINC000331110774 1022747986 /nfs/dbraw/zinc/74/79/86/1022747986.db2.gz IXDCPICUTAJMEQ-UHFFFAOYSA-N -1 0 328.434 3.571 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2nc(C)c(C)s2)cc1Cl ZINC000331205321 1022768340 /nfs/dbraw/zinc/76/83/40/1022768340.db2.gz SPSOLRFFXJTJMS-UHFFFAOYSA-N -1 0 346.861 3.531 20 0 EHADRM CS[C@H](C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC000593921706 1033078967 /nfs/dbraw/zinc/07/89/67/1033078967.db2.gz HVMNXJCKONMSQO-BBWFWOEESA-N -1 0 341.432 3.520 20 0 EHADRM CC(=O)c1ccc(C(=O)N2C[C@@H](c3ccccc3C)C[C@H]2C)cc1O ZINC000331357539 1022801649 /nfs/dbraw/zinc/80/16/49/1022801649.db2.gz UBMJOMNLAJTKGS-PBHICJAKSA-N -1 0 337.419 3.921 20 0 EHADRM CC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccccc1Br ZINC000048519571 1022870599 /nfs/dbraw/zinc/87/05/99/1022870599.db2.gz APOZZSMMQFLZFX-UHFFFAOYSA-N -1 0 334.235 3.531 20 0 EHADRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1ccccc1OCC1CC1 ZINC000147641407 1033090489 /nfs/dbraw/zinc/09/04/89/1033090489.db2.gz QEZDUPLEHDZQBU-BQYQJAHWSA-N -1 0 340.335 3.647 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)c2ccc(N3CCCCC3)cc2)s[n-]1 ZINC000471883632 1022935126 /nfs/dbraw/zinc/93/51/26/1022935126.db2.gz FMBGKWSPGUKEOH-UHFFFAOYSA-N -1 0 344.484 3.500 20 0 EHADRM Cc1ccc(NS(=O)(=O)c2ccccc2C(C)(C)C)cc1C(=O)[O-] ZINC000438713983 1022944291 /nfs/dbraw/zinc/94/42/91/1022944291.db2.gz DBKSHABMQDFROM-UHFFFAOYSA-N -1 0 347.436 3.792 20 0 EHADRM CCC(CC)(NC(=O)Nc1ccc(CC(F)(F)F)cc1)C(=O)[O-] ZINC000518060713 1022963337 /nfs/dbraw/zinc/96/33/37/1022963337.db2.gz HZKUWBOBHIJSQX-UHFFFAOYSA-N -1 0 332.322 3.556 20 0 EHADRM COc1ccc2nc(CN[C@@H](C(=O)[O-])c3ccc(C)cc3)sc2c1 ZINC000426685337 1022963318 /nfs/dbraw/zinc/96/33/18/1022963318.db2.gz HCRBHELIAXMJFF-QGZVFWFLSA-N -1 0 342.420 3.529 20 0 EHADRM O=C([O-])[C@@H](NCc1cc2ccc(F)cc2[nH]1)c1c(F)cccc1F ZINC000426730996 1022999326 /nfs/dbraw/zinc/99/93/26/1022999326.db2.gz CCBONSJASVZWPA-INIZCTEOSA-N -1 0 334.297 3.501 20 0 EHADRM Cc1cc2[nH]c(CN[C@H](C(=O)[O-])c3c(F)cccc3F)cc2c(C)c1 ZINC000426732346 1023001363 /nfs/dbraw/zinc/00/13/63/1023001363.db2.gz IEWMKSUXUIKIPX-SFHVURJKSA-N -1 0 344.361 3.978 20 0 EHADRM O=C(N[C@@H]1CC[C@H](Cc2ccccc2)C1)c1cc(F)c(F)c([O-])c1F ZINC000189339474 1023010133 /nfs/dbraw/zinc/01/01/33/1023010133.db2.gz AWZQOMRWQITTEX-CHWSQXEVSA-N -1 0 349.352 3.951 20 0 EHADRM CC(C)C[C@@H]1CCCN(C(=O)N=c2[n-]nc(-c3ccco3)s2)C1 ZINC000469511450 1023017157 /nfs/dbraw/zinc/01/71/57/1023017157.db2.gz BJINYFFKHISRRO-LBPRGKRZSA-N -1 0 334.445 3.510 20 0 EHADRM CC(C)c1csc(NC(=O)CSc2n[n-]c(=S)s2)n1 ZINC000176094757 1023022341 /nfs/dbraw/zinc/02/23/41/1023022341.db2.gz XQFGEQFNXAYDBH-UHFFFAOYSA-N -1 0 332.501 3.511 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)NCC[C@H](C)CC(C)(C)C)cc2=O)cc1 ZINC000189473427 1023035379 /nfs/dbraw/zinc/03/53/79/1023035379.db2.gz IWIOAPRGDCGKKF-HNNXBMFYSA-N -1 0 343.471 3.666 20 0 EHADRM CC[C@](C)(O)CN(Cc1ccccc1)C(=O)c1ccc([O-])c(Cl)c1 ZINC000189476128 1023036182 /nfs/dbraw/zinc/03/61/82/1023036182.db2.gz VUCCZNBCPGHHSA-IBGZPJMESA-N -1 0 347.842 3.849 20 0 EHADRM O=C(Nc1ccsc1Cl)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000189504999 1023040886 /nfs/dbraw/zinc/04/08/86/1023040886.db2.gz DEFVLRHOVWULIS-UHFFFAOYSA-N -1 0 337.763 3.684 20 0 EHADRM O=C([O-])[C@H](NCc1ccc(F)cc1Br)c1cccs1 ZINC000426795933 1023052149 /nfs/dbraw/zinc/05/21/49/1023052149.db2.gz ZQQXYMGBXNYYNY-GFCCVEGCSA-N -1 0 344.205 3.565 20 0 EHADRM COc1ccccc1[C@H](NCc1cc2cc(C)c(C)cc2o1)C(=O)[O-] ZINC000426795501 1023054445 /nfs/dbraw/zinc/05/44/45/1023054445.db2.gz YHGQEEAXXDKREL-IBGZPJMESA-N -1 0 339.391 3.974 20 0 EHADRM CC(C)Cc1nnc([N-]C(=O)c2ocnc2-c2ccccc2)s1 ZINC000294562733 1023058693 /nfs/dbraw/zinc/05/86/93/1023058693.db2.gz ONGOFIIBSVOYSA-UHFFFAOYSA-N -1 0 328.397 3.644 20 0 EHADRM O=C([O-])C[C@H](NCc1ccccc1Cl)c1ccc(F)cc1F ZINC000426810460 1023061721 /nfs/dbraw/zinc/06/17/21/1023061721.db2.gz ZRIYPUUVUHKABK-HNNXBMFYSA-N -1 0 325.742 3.924 20 0 EHADRM CCc1ccc([C@H](NCc2ccc(Br)o2)C(=O)[O-])cc1 ZINC000426827849 1023070849 /nfs/dbraw/zinc/07/08/49/1023070849.db2.gz TYVTUVHBIGQJGQ-AWEZNQCLSA-N -1 0 338.201 3.520 20 0 EHADRM Clc1ccc2c(c1Cl)OC[C@H]2N=c1nc(C2CC2)[n-]s1 ZINC000426899862 1023103116 /nfs/dbraw/zinc/10/31/16/1023103116.db2.gz ZOMIGNJELYJHMI-SECBINFHSA-N -1 0 328.224 3.690 20 0 EHADRM CCCN(C(=O)Nc1ccccc1C(F)(F)F)[C@@H](CC)C(=O)[O-] ZINC000520486751 1023227923 /nfs/dbraw/zinc/22/79/23/1023227923.db2.gz NSXLPXYPZQAFSF-LBPRGKRZSA-N -1 0 332.322 3.813 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1ccccc1Nc1ccc(F)cc1F ZINC000507308604 1023239338 /nfs/dbraw/zinc/23/93/38/1023239338.db2.gz DTZTYBPLCNONHK-NWDGAFQWSA-N -1 0 346.333 3.758 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cnc(C(C)(C)C)nc2)sc1Cl ZINC000190254315 1023265566 /nfs/dbraw/zinc/26/55/66/1023265566.db2.gz LXFOOTMJOZAEQY-UHFFFAOYSA-N -1 0 345.877 3.598 20 0 EHADRM CN(C)[C@@H](CN=c1[n-]c(-c2cccc(Cl)c2)no1)c1ccsc1 ZINC000593994116 1033118987 /nfs/dbraw/zinc/11/89/87/1033118987.db2.gz BHXKBAPUBHUSEI-AWEZNQCLSA-N -1 0 348.859 3.588 20 0 EHADRM CC(C)(C)OC(=O)Cc1cccc(NC(=O)c2c([O-])cccc2F)c1 ZINC000548452557 1023334009 /nfs/dbraw/zinc/33/40/09/1023334009.db2.gz SRTXHEBLSUVOBX-UHFFFAOYSA-N -1 0 345.370 3.668 20 0 EHADRM Cc1ccc(-c2cccnc2)cc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000684559484 1023334116 /nfs/dbraw/zinc/33/41/16/1023334116.db2.gz XKBVCVAAWDOFKE-DLBZAZTESA-N -1 0 336.391 3.663 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000016100743 1023342799 /nfs/dbraw/zinc/34/27/99/1023342799.db2.gz DPFBLGPXZIKFTN-UHFFFAOYSA-N -1 0 331.846 3.991 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)s1 ZINC000431159197 1023362748 /nfs/dbraw/zinc/36/27/48/1023362748.db2.gz GPJPFRZEYYNGQQ-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3noc(C)n3)c2)s1 ZINC000431180662 1023397800 /nfs/dbraw/zinc/39/78/00/1023397800.db2.gz HUGNPKTYGDXIKE-UHFFFAOYSA-N -1 0 349.437 3.524 20 0 EHADRM CC(C)(CNC(=O)N=c1ccc(C(F)(F)F)n[n-]1)C1=CCCCC1 ZINC000471952950 1023408434 /nfs/dbraw/zinc/40/84/34/1023408434.db2.gz OZXBKDJDIPDWQR-UHFFFAOYSA-N -1 0 342.365 3.565 20 0 EHADRM CC[C@H](NC(=O)N=c1[n-]nc(C(F)F)s1)c1cc(C)ccc1C ZINC000528944571 1033131727 /nfs/dbraw/zinc/13/17/27/1033131727.db2.gz NUBPFKWJNFQTFO-NSHDSACASA-N -1 0 340.399 3.787 20 0 EHADRM C[C@@]1(Br)C[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000528947558 1033139320 /nfs/dbraw/zinc/13/93/20/1033139320.db2.gz RTHKWHBPACXFTN-UPONEAKYSA-N -1 0 339.016 3.811 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2scnc2C2CC2)c(Cl)c1 ZINC000535687223 1023565718 /nfs/dbraw/zinc/56/57/18/1023565718.db2.gz XIMCOOQQJFMSHK-UHFFFAOYSA-N -1 0 328.846 3.783 20 0 EHADRM CC(C)NC(=O)N[N-]C(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000063270131 1033158344 /nfs/dbraw/zinc/15/83/44/1033158344.db2.gz SDJSPSQKVRCXJR-UHFFFAOYSA-N -1 0 346.239 3.561 20 0 EHADRM CCc1onc(C)c1[N-]S(=O)(=O)/C=C\c1cccc(Cl)c1 ZINC000588482488 1023919386 /nfs/dbraw/zinc/91/93/86/1023919386.db2.gz JBYFVZISAYPDPM-FPLPWBNLSA-N -1 0 326.805 3.611 20 0 EHADRM CSc1cccc(C)c1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000471989628 1023924878 /nfs/dbraw/zinc/92/48/78/1023924878.db2.gz UYWBRYQAEJQWEZ-UHFFFAOYSA-N -1 0 328.846 3.566 20 0 EHADRM Cc1ccc(NC(=O)c2c(C(C)C)[n-]n(-c3ccccc3)c2=O)cc1 ZINC000505415622 1023998403 /nfs/dbraw/zinc/99/84/03/1023998403.db2.gz PHFJROCYHHUKRR-QGZVFWFLSA-N -1 0 335.407 3.609 20 0 EHADRM COC(=O)c1ccc(/C=C\c2nc3ccc(C(=O)[O-])cc3s2)o1 ZINC000431559596 1033175537 /nfs/dbraw/zinc/17/55/37/1033175537.db2.gz WLUSXJGEEDNIBH-DAXSKMNVSA-N -1 0 329.333 3.545 20 0 EHADRM CC(C)(CN=c1[n-]nc(C2CC2)o1)c1cccc(Br)c1 ZINC000342107911 1024055987 /nfs/dbraw/zinc/05/59/87/1024055987.db2.gz CPXZDBZTQVKISW-UHFFFAOYSA-N -1 0 336.233 3.521 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cc(Cl)cc3cccnc32)C1 ZINC000191208414 1024058459 /nfs/dbraw/zinc/05/84/59/1024058459.db2.gz KSKAXWSEWUGHNC-LBPRGKRZSA-N -1 0 346.814 3.605 20 0 EHADRM COCCOCc1cccc(-c2ccc(CCC(=O)[O-])c(F)c2)c1 ZINC000657203024 1024069318 /nfs/dbraw/zinc/06/93/18/1024069318.db2.gz IDAMOHJOIANBSA-UHFFFAOYSA-N -1 0 332.371 3.673 20 0 EHADRM Cc1cc(-c2ccccc2OC[C@H]2CCOC2)ccc1CC(=O)[O-] ZINC000657204124 1024081087 /nfs/dbraw/zinc/08/10/87/1024081087.db2.gz RZAKEJDTGNFWTP-HNNXBMFYSA-N -1 0 326.392 3.704 20 0 EHADRM O=C([O-])C1CCN(C(=O)c2ccc(-c3ccc4c(c3)CCC4)cc2)CC1 ZINC000657203982 1024081497 /nfs/dbraw/zinc/08/14/97/1024081497.db2.gz XVYFMIYMTVKLFK-UHFFFAOYSA-N -1 0 349.430 3.779 20 0 EHADRM COc1cc(C(=O)[O-])sc1-c1ccc(NC(=O)C(C)(C)C)nc1 ZINC000657205091 1024085906 /nfs/dbraw/zinc/08/59/06/1024085906.db2.gz YOALLUHNBGNJCD-UHFFFAOYSA-N -1 0 334.397 3.502 20 0 EHADRM CCc1ccc(CC(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000191397090 1024089334 /nfs/dbraw/zinc/08/93/34/1024089334.db2.gz MCOPOSPWRVWOPB-CQSZACIVSA-N -1 0 325.408 3.693 20 0 EHADRM Cc1cocc1-c1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)c(C)c1 ZINC000657205859 1024093425 /nfs/dbraw/zinc/09/34/25/1024093425.db2.gz TYUROVYKQKLQRS-HNNXBMFYSA-N -1 0 327.380 3.500 20 0 EHADRM CC(C)Oc1cc(-c2cc(C(F)(F)F)nn2C)ccc1C(=O)[O-] ZINC000657205836 1024094844 /nfs/dbraw/zinc/09/48/44/1024094844.db2.gz MFRGFABVLFZBFT-UHFFFAOYSA-N -1 0 328.290 3.591 20 0 EHADRM O=C([O-])c1csc(-c2cc(F)ccc2OC[C@@H]2CCCCO2)n1 ZINC000657204805 1024096556 /nfs/dbraw/zinc/09/65/56/1024096556.db2.gz MMTPKUPJCZLWBB-NSHDSACASA-N -1 0 337.372 3.595 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000634815330 1024103324 /nfs/dbraw/zinc/10/33/24/1024103324.db2.gz NMKOCXLOCQDGIU-BONVTDFDSA-N -1 0 342.233 3.517 20 0 EHADRM Cc1cc(CCC(=O)[O-])ccc1-c1ccc(O[C@@H]2CCOC2)cc1 ZINC000657204371 1024104452 /nfs/dbraw/zinc/10/44/52/1024104452.db2.gz HABUMLXDKMFGKD-GOSISDBHSA-N -1 0 326.392 3.847 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N2CCC[C@@H](C(C)(C)C)CC2)s1 ZINC000522625735 1024113025 /nfs/dbraw/zinc/11/30/25/1024113025.db2.gz YDJBPPHSLDBDQU-LLVKDONJSA-N -1 0 342.534 3.752 20 0 EHADRM CCOC(=O)c1ccc(/C=C/c2nc3ccc(C(=O)[O-])cc3s2)o1 ZINC000431562640 1033186698 /nfs/dbraw/zinc/18/66/98/1033186698.db2.gz XQPOLQZAERAXBB-VMPITWQZSA-N -1 0 343.360 3.935 20 0 EHADRM COCCCOc1ccc(-c2ccccc2[C@H](OC)C(=O)[O-])cc1 ZINC000657207074 1024114858 /nfs/dbraw/zinc/11/48/58/1024114858.db2.gz HLVMJRLCELNSJM-SFHVURJKSA-N -1 0 330.380 3.541 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)cc1C ZINC000191528320 1024118914 /nfs/dbraw/zinc/11/89/14/1024118914.db2.gz MPZALMUBXLRTLZ-SFHVURJKSA-N -1 0 325.408 3.509 20 0 EHADRM Cc1cc(C2(C(=O)[O-])CCCCC2)ccc1-c1cnc2ccnn2c1 ZINC000657206260 1024128943 /nfs/dbraw/zinc/12/89/43/1024128943.db2.gz GAZOXIIPBYAYOG-UHFFFAOYSA-N -1 0 335.407 3.991 20 0 EHADRM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(F)(F)F ZINC000443934473 1024130420 /nfs/dbraw/zinc/13/04/20/1024130420.db2.gz IWTSGSQPPDWRFX-HQJQHLMTSA-N -1 0 347.761 3.734 20 0 EHADRM C[C@H](CC(=O)c1cccc(-c2cccc3c2OCCCO3)c1)C(=O)[O-] ZINC000657207553 1024131223 /nfs/dbraw/zinc/13/12/23/1024131223.db2.gz NBFDFPAXNMIHTI-CYBMUJFWSA-N -1 0 340.375 3.808 20 0 EHADRM COCCCOc1ccc(-c2cc(C)ccc2O[C@H](C)C(=O)[O-])cc1 ZINC000657207347 1024131241 /nfs/dbraw/zinc/13/12/41/1024131241.db2.gz OGHMMHQKENHROK-OAHLLOKOSA-N -1 0 344.407 3.929 20 0 EHADRM Cn1[n-]c(C(=O)N[C@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)cc1=O ZINC000614593963 1024131620 /nfs/dbraw/zinc/13/16/20/1024131620.db2.gz VQVYQKWDKARYHZ-CABCVRRESA-N -1 0 347.846 3.625 20 0 EHADRM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)Cc1ccccc1Cl)C(F)(F)F ZINC000443937357 1024134093 /nfs/dbraw/zinc/13/40/93/1024134093.db2.gz RVAZKDSEBNBFEM-BXKDBHETSA-N -1 0 343.798 3.736 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@@H](C)C2(c3ccccc3)CCCC2)s[n-]1 ZINC000509626648 1024198452 /nfs/dbraw/zinc/19/84/52/1024198452.db2.gz SUHQLSIZFVKKCQ-KBPBESRZSA-N -1 0 331.485 3.980 20 0 EHADRM Cc1ccccc1S([O-])=CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000108091193 1024236144 /nfs/dbraw/zinc/23/61/44/1024236144.db2.gz YCNUMYBMKUGYOQ-DEOSSOPVSA-N -1 0 343.492 3.930 20 0 EHADRM CCCCc1nc(C)c(CC(=O)Nc2ccc(F)c(F)c2[O-])s1 ZINC001625992036 1033195509 /nfs/dbraw/zinc/19/55/09/1033195509.db2.gz JPMRVMXKTXCCKI-UHFFFAOYSA-N -1 0 340.395 3.959 20 0 EHADRM CC(C)C[C@@H]1OCCC[C@H]1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000192548132 1024255128 /nfs/dbraw/zinc/25/51/28/1024255128.db2.gz NRXNMQTUKKYCLV-KGLIPLIRSA-N -1 0 329.799 3.508 20 0 EHADRM Cc1ccc(N=c2[n-]nc(SCc3cn[nH]c3)s2)cc1Cl ZINC000505466909 1024287460 /nfs/dbraw/zinc/28/74/60/1024287460.db2.gz JNARRILEAHMQIE-UHFFFAOYSA-N -1 0 337.861 3.681 20 0 EHADRM CCOc1c(F)cccc1C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000472013442 1024291130 /nfs/dbraw/zinc/29/11/30/1024291130.db2.gz QVKPPRPTFSTOKD-UHFFFAOYSA-N -1 0 331.343 3.792 20 0 EHADRM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1ccc2c(c1)COC2 ZINC000350298932 1024299657 /nfs/dbraw/zinc/29/96/57/1024299657.db2.gz GORZVZKGZPVNEJ-UHFFFAOYSA-N -1 0 347.367 3.711 20 0 EHADRM COC(=O)c1cccc2nc(Nc3cc(C)cc(C(=O)[O-])c3)sc21 ZINC001211535163 1024314650 /nfs/dbraw/zinc/31/46/50/1024314650.db2.gz RAFANRVUKVBXEX-UHFFFAOYSA-N -1 0 342.376 3.833 20 0 EHADRM CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)CCC(C)(C)C ZINC000548538105 1024344395 /nfs/dbraw/zinc/34/43/95/1024344395.db2.gz LGWUJMKNSSGMGR-UHFFFAOYSA-N -1 0 341.473 3.757 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CCC(CCC(=O)[O-])CC2)o1 ZINC000324311076 1024384508 /nfs/dbraw/zinc/38/45/08/1024384508.db2.gz ZHBDJBXQYSRRGW-BDHHJBHZSA-N -1 0 331.412 3.520 20 0 EHADRM C[C@H]1CCCC[C@H]1OCCNC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184267409 1024394690 /nfs/dbraw/zinc/39/46/90/1024394690.db2.gz FONZRXWSILFBFW-IINYFYTJSA-N -1 0 329.799 3.510 20 0 EHADRM CC(C)(C)c1ncc(CN=c2[n-]nc(Cc3ccsc3)o2)s1 ZINC000346108990 1024409250 /nfs/dbraw/zinc/40/92/50/1024409250.db2.gz TWBJUNYPLXRXCT-UHFFFAOYSA-N -1 0 334.470 3.510 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(-n3ncc4ccccc43)cc2)o1 ZINC000191632008 1024471374 /nfs/dbraw/zinc/47/13/74/1024471374.db2.gz DSROXKRKFKBNSI-UHFFFAOYSA-N -1 0 347.330 3.569 20 0 EHADRM O=C([O-])CN(Cc1ccccc1)C(=O)c1cccc(-c2ccoc2)c1 ZINC000190740350 1024471653 /nfs/dbraw/zinc/47/16/53/1024471653.db2.gz KWOJZDPXYFDYGQ-UHFFFAOYSA-N -1 0 335.359 3.674 20 0 EHADRM CC(C)Cc1ccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cc1 ZINC000126854633 1024486717 /nfs/dbraw/zinc/48/67/17/1024486717.db2.gz GPJBFEOMSQCXRZ-LJQANCHMSA-N -1 0 334.419 3.524 20 0 EHADRM CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC000607616009 1033216408 /nfs/dbraw/zinc/21/64/08/1033216408.db2.gz MLHYQHKTTNGZJJ-UHFFFAOYSA-N -1 0 341.379 3.943 20 0 EHADRM CC(C)CCc1ccccc1[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC000607614212 1033216911 /nfs/dbraw/zinc/21/69/11/1033216911.db2.gz GBSRNSFUJQNUNT-UHFFFAOYSA-N -1 0 335.473 3.853 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2noc3ccc(Cl)cc32)c1 ZINC000427634988 1024560579 /nfs/dbraw/zinc/56/05/79/1024560579.db2.gz ZMAHQPHDRYOMNQ-UHFFFAOYSA-N -1 0 336.800 3.899 20 0 EHADRM C[C@H](NC(=O)CC1(C(=O)[O-])CCCCCC1)c1c(F)cccc1F ZINC000391811743 1024564048 /nfs/dbraw/zinc/56/40/48/1024564048.db2.gz MNYSRXOFWCLABL-LBPRGKRZSA-N -1 0 339.382 3.957 20 0 EHADRM CC(C)(C)c1ccc(C(C)(C)NC(=O)c2ccoc2CC(=O)[O-])cc1 ZINC000909545867 1024596530 /nfs/dbraw/zinc/59/65/30/1024596530.db2.gz OZQFYIKNULCFSI-UHFFFAOYSA-N -1 0 343.423 3.869 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000327270514 1024615952 /nfs/dbraw/zinc/61/59/52/1024615952.db2.gz XNFGLEQOMDGKDT-XZKMEQPCSA-N -1 0 341.451 3.804 20 0 EHADRM C[C@H](NC(=O)CC1(CC(=O)[O-])CCCCC1)c1cccc(F)c1F ZINC000346324149 1024623341 /nfs/dbraw/zinc/62/33/41/1024623341.db2.gz SHXMTPCXVWMOKI-LBPRGKRZSA-N -1 0 339.382 3.957 20 0 EHADRM CCC[C@H](CNC(=O)c1ccc(SC(F)(F)F)cc1)C(=O)[O-] ZINC000262139027 1024647139 /nfs/dbraw/zinc/64/71/39/1024647139.db2.gz MDWZSLCWAUNYDN-SNVBAGLBSA-N -1 0 335.347 3.529 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000514683227 1024653416 /nfs/dbraw/zinc/65/34/16/1024653416.db2.gz ALIPKYLFDMBHMY-YPMHNXCESA-N -1 0 328.416 3.641 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)CCCOc1cccc(Cl)c1Cl ZINC000909452571 1024674431 /nfs/dbraw/zinc/67/44/31/1024674431.db2.gz GAFHKSTZGWNSJR-JTQLQIEISA-N -1 0 348.226 3.522 20 0 EHADRM C[C@@H](CCNC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000327327536 1024692018 /nfs/dbraw/zinc/69/20/18/1024692018.db2.gz ABMGKXCJBFQGCQ-KKSFZXQISA-N -1 0 339.435 3.729 20 0 EHADRM CCCN(CC(=O)[O-])Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000514731771 1024708106 /nfs/dbraw/zinc/70/81/06/1024708106.db2.gz ZLHDJALNXNAUDU-UHFFFAOYSA-N -1 0 342.317 3.657 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2noc3ccc(Cl)cc32)s1 ZINC000427655180 1024709750 /nfs/dbraw/zinc/70/97/50/1024709750.db2.gz QQGOKPCXFYTLGK-UHFFFAOYSA-N -1 0 328.802 3.652 20 0 EHADRM COCc1cc(NC(=O)c2ccc3ccccc3c2)cc(C(=O)[O-])c1 ZINC000427663416 1024711784 /nfs/dbraw/zinc/71/17/84/1024711784.db2.gz DGBWCTGWCGCAPH-UHFFFAOYSA-N -1 0 335.359 3.937 20 0 EHADRM O=S(=O)([N-]c1cccc(F)c1O)c1cc(Cl)cc(Cl)c1 ZINC000707916291 1024770500 /nfs/dbraw/zinc/77/05/00/1024770500.db2.gz JAVIAURYMIXHDW-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM Cc1cc(S(=O)(=O)Nc2ccc(C3CCC3)cc2)ccc1C(=O)[O-] ZINC000507907869 1024770526 /nfs/dbraw/zinc/77/05/26/1024770526.db2.gz IJHUWGPMXJKEPZ-UHFFFAOYSA-N -1 0 345.420 3.762 20 0 EHADRM C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1[O-])N(C)CC(F)(F)F ZINC000281213303 1024776578 /nfs/dbraw/zinc/77/65/78/1024776578.db2.gz NXMPXFOEMMTUHS-LURJTMIESA-N -1 0 345.148 3.520 20 0 EHADRM CC[C@@H](NC(=O)N([C@H](CC)C(=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC000684717604 1024940506 /nfs/dbraw/zinc/94/05/06/1024940506.db2.gz LLTNAVGAMCNYKW-HUUCEWRRSA-N -1 0 338.835 3.828 20 0 EHADRM Cc1cc(Nc2ccc(OCC3CCOCC3)nc2)cc(C(=O)[O-])c1 ZINC001211537607 1024943857 /nfs/dbraw/zinc/94/38/57/1024943857.db2.gz RTAKIPVPSXUZMM-UHFFFAOYSA-N -1 0 342.395 3.637 20 0 EHADRM Cc1cc(Nc2ccnn2Cc2cccc(F)c2)cc(C(=O)[O-])c1 ZINC001211537633 1024946647 /nfs/dbraw/zinc/94/66/47/1024946647.db2.gz SSELGBFYCBQHTM-UHFFFAOYSA-N -1 0 325.343 3.821 20 0 EHADRM Cc1cc(C)nc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)n1 ZINC000508207146 1024950657 /nfs/dbraw/zinc/95/06/57/1024950657.db2.gz QVZNFRIIMUJXMQ-UHFFFAOYSA-N -1 0 339.420 3.561 20 0 EHADRM O=C([N-]OCc1ccccn1)C1(c2ccc(F)cc2)CCCCC1 ZINC000909529660 1024954299 /nfs/dbraw/zinc/95/42/99/1024954299.db2.gz PAPUJEGMIHWLRF-UHFFFAOYSA-N -1 0 328.387 3.671 20 0 EHADRM O=S(=O)([N-]c1noc2ccccc21)c1cc(Cl)sc1Cl ZINC000508217511 1024967895 /nfs/dbraw/zinc/96/78/95/1024967895.db2.gz WBXGFOZQLYZQMZ-UHFFFAOYSA-N -1 0 349.220 3.997 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1 ZINC000105589884 1024971450 /nfs/dbraw/zinc/97/14/50/1024971450.db2.gz RKYNWDKBMUALBM-UHFFFAOYSA-N -1 0 333.356 3.627 20 0 EHADRM CCCC1(CNC(=O)N(CC(=O)[O-])[C@@H](C)c2ccccc2)CCC1 ZINC000515031908 1024974262 /nfs/dbraw/zinc/97/42/62/1024974262.db2.gz YPFUGVXCKPHDGE-HNNXBMFYSA-N -1 0 332.444 3.814 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N(CC(=O)[O-])C1CCCC1 ZINC000684720622 1024977121 /nfs/dbraw/zinc/97/71/21/1024977121.db2.gz FFGKZCWRHMWWTG-HNNXBMFYSA-N -1 0 348.443 3.640 20 0 EHADRM CCc1nnc([C@H](C)Sc2n[n-]c(=Nc3ccccc3)s2)o1 ZINC000346689912 1025018327 /nfs/dbraw/zinc/01/83/27/1025018327.db2.gz SFEKKENPXJSFHZ-VIFPVBQESA-N -1 0 333.442 3.502 20 0 EHADRM O=S(=O)([N-]c1ncc(-c2ccc(F)cc2)s1)c1ccccc1 ZINC000191760494 1025024850 /nfs/dbraw/zinc/02/48/50/1025024850.db2.gz CLFITFWBPRTGRM-UHFFFAOYSA-N -1 0 334.397 3.750 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N[C@@H](c2ccccc2)C(C)C)s1 ZINC000515108404 1025025947 /nfs/dbraw/zinc/02/59/47/1025025947.db2.gz FSVPJDDLWIQPNE-GFCCVEGCSA-N -1 0 336.486 3.591 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)C2CCC(C(F)(F)F)CC2)s[n-]1 ZINC000435726646 1025094745 /nfs/dbraw/zinc/09/47/45/1025094745.db2.gz AGZJXIXHFYGWBT-UHFFFAOYSA-N -1 0 335.395 3.565 20 0 EHADRM CCCc1nc(=NC(=O)C[C@@H](C)c2c[nH]c3ccccc32)s[n-]1 ZINC000342381858 1025122548 /nfs/dbraw/zinc/12/25/48/1025122548.db2.gz VJWNBMJEDOQTRC-LLVKDONJSA-N -1 0 328.441 3.526 20 0 EHADRM COc1cccc(-n2ncc(C)c2Nc2cc(C)cc(C(=O)[O-])c2)c1 ZINC001211539272 1025169129 /nfs/dbraw/zinc/16/91/29/1025169129.db2.gz ORVWFYLQRNVZPN-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM COc1nc(C(F)(F)F)ccc1-c1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000582074070 1025182592 /nfs/dbraw/zinc/18/25/92/1025182592.db2.gz ZHEWFZXIWUTDES-SECBINFHSA-N -1 0 341.285 3.628 20 0 EHADRM CCn1nc(C)c(S(=O)(=O)[N-]c2cc(C)c(Cl)c(C)c2)c1C ZINC000442219626 1025218585 /nfs/dbraw/zinc/21/85/85/1025218585.db2.gz CHYLVKYKJPTXON-UHFFFAOYSA-N -1 0 341.864 3.591 20 0 EHADRM CC(C)Oc1ccccc1CNC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000515431481 1025224259 /nfs/dbraw/zinc/22/42/59/1025224259.db2.gz MGJDLCJDOXHLBO-UHFFFAOYSA-N -1 0 333.428 3.515 20 0 EHADRM CCc1nc(SC2CC(OCc3ccccc3)C2)[nH]c(=O)c1C ZINC000521273661 1025306869 /nfs/dbraw/zinc/30/68/69/1025306869.db2.gz ZINGTHARQAVOBC-UHFFFAOYSA-N -1 0 330.453 3.893 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc1O ZINC000436028481 1025310426 /nfs/dbraw/zinc/31/04/26/1025310426.db2.gz OSJSJYJXULFORH-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM COC[C@H](C)Oc1cccc(-c2cccc(OCCC(=O)[O-])c2)c1 ZINC000574532721 1033274704 /nfs/dbraw/zinc/27/47/04/1033274704.db2.gz OZKHBXAQZOSSFI-AWEZNQCLSA-N -1 0 330.380 3.621 20 0 EHADRM CC[C@H](NC(=O)N1CC[C@@H](C)C[C@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000515547900 1025340000 /nfs/dbraw/zinc/34/00/00/1025340000.db2.gz VARQBRUCFNEECB-UGFHNGPFSA-N -1 0 338.835 3.686 20 0 EHADRM COC(=O)c1cc(Br)c([O-])cc1O[C@H]1CCCC[C@@H]1F ZINC001227359243 1025365857 /nfs/dbraw/zinc/36/58/57/1025365857.db2.gz HDHDWQYEYLXXGK-JQWIXIFHSA-N -1 0 347.180 3.601 20 0 EHADRM CCCC[C@H](NC(=O)N[C@@H](C)c1oc2ccccc2c1C)C(=O)[O-] ZINC000521417003 1025378071 /nfs/dbraw/zinc/37/80/71/1025378071.db2.gz ISULNLOZYMQICM-JSGCOSHPSA-N -1 0 332.400 3.745 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)N(CCc1ccccc1)CC(=O)[O-] ZINC000515583779 1025378007 /nfs/dbraw/zinc/37/80/07/1025378007.db2.gz JLAWOOWLYSNJAQ-UHFFFAOYSA-N -1 0 346.814 3.810 20 0 EHADRM O=C([O-])C1CCC(C(=O)N2CCCC[C@@H]2Cc2ccc(F)cc2)CC1 ZINC000684771933 1025416999 /nfs/dbraw/zinc/41/69/99/1025416999.db2.gz QYVSPQCQTLMETO-LEOMRAHMSA-N -1 0 347.430 3.640 20 0 EHADRM O=C([O-])C1CCC(C(=O)NCC2(c3ccccc3)CCCCC2)CC1 ZINC000684771950 1025417930 /nfs/dbraw/zinc/41/79/30/1025417930.db2.gz SGSOLCIXMVAHHU-UHFFFAOYSA-N -1 0 343.467 3.896 20 0 EHADRM Cc1cc[nH]c1C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000436159523 1025423643 /nfs/dbraw/zinc/42/36/43/1025423643.db2.gz YLJGNQOWKYDBLJ-UHFFFAOYSA-N -1 0 329.581 3.697 20 0 EHADRM CO[C@H](C)c1nc(=NC(=O)CC(C)(C)C2CCCCC2)s[n-]1 ZINC000511087038 1025470674 /nfs/dbraw/zinc/47/06/74/1025470674.db2.gz XBDCPFZCYUFYHY-LLVKDONJSA-N -1 0 325.478 3.603 20 0 EHADRM Cc1cc([N-]C(=O)c2nc([C@H](c3ccccc3C)C(C)C)no2)no1 ZINC000685394901 1033287671 /nfs/dbraw/zinc/28/76/71/1033287671.db2.gz IQGFUZYFQCEGDR-HNNXBMFYSA-N -1 0 340.383 3.715 20 0 EHADRM O=C(Nc1cnc(-c2ccccc2)nc1)c1ccc([O-])c(Cl)c1 ZINC000041844606 1025552125 /nfs/dbraw/zinc/55/21/25/1025552125.db2.gz ATCWCCLTQCDFFO-UHFFFAOYSA-N -1 0 325.755 3.755 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2-n2nccc2C)c(C)s1 ZINC000342450766 1025568714 /nfs/dbraw/zinc/56/87/14/1025568714.db2.gz POCSBRIXDOGOOK-UHFFFAOYSA-N -1 0 347.465 3.660 20 0 EHADRM O=C([N-]S(=O)(=O)Cc1ccccc1)c1cc2ccccc2s1 ZINC000048595365 1025605702 /nfs/dbraw/zinc/60/57/02/1025605702.db2.gz HCFLZJNDOBXQAS-UHFFFAOYSA-N -1 0 331.418 3.736 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000392173081 1025609727 /nfs/dbraw/zinc/60/97/27/1025609727.db2.gz PVHVWFYRBOCBKJ-KRWDZBQOSA-N -1 0 340.379 3.950 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C2CC2)c(C)c1 ZINC000574549784 1033294367 /nfs/dbraw/zinc/29/43/67/1033294367.db2.gz DYRDIQADNLXCSY-UHFFFAOYSA-N -1 0 347.484 3.834 20 0 EHADRM COc1cc(F)c(/C=C\c2ncc(C(=O)[O-])c(C(C)C)n2)cc1OC ZINC000515852295 1025676479 /nfs/dbraw/zinc/67/64/79/1025676479.db2.gz WLRHTBRALRJIAG-WAYWQWQTSA-N -1 0 346.358 3.625 20 0 EHADRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1nc2ccsc2s1 ZINC000522821097 1025677137 /nfs/dbraw/zinc/67/71/37/1025677137.db2.gz DQEUEMWOQAYEML-UHFFFAOYSA-N -1 0 328.415 3.606 20 0 EHADRM O=S(=O)([N-]c1nc2ccsc2s1)c1cc(F)ccc1Cl ZINC000522821082 1025677819 /nfs/dbraw/zinc/67/78/19/1025677819.db2.gz CURPNZXJDVUUEQ-UHFFFAOYSA-N -1 0 348.833 3.951 20 0 EHADRM FC1(CN=c2[n-]nc(SCc3ccc(Cl)cc3)s2)CC1 ZINC000530369568 1025692135 /nfs/dbraw/zinc/69/21/35/1025692135.db2.gz UBCZJTWFYUMLLH-UHFFFAOYSA-N -1 0 329.853 3.820 20 0 EHADRM CCC[C@H](NC(=O)Nc1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000582260173 1025702705 /nfs/dbraw/zinc/70/27/05/1025702705.db2.gz NHGSNDMFQZPUKG-LBPRGKRZSA-N -1 0 332.322 3.556 20 0 EHADRM CO[C@@H](C)c1nc(=NC[C@@H](C)Oc2ccc(C(C)C)cc2)s[n-]1 ZINC000515889548 1025712593 /nfs/dbraw/zinc/71/25/93/1025712593.db2.gz AAQQEXHSTAUVJR-OLZOCXBDSA-N -1 0 335.473 3.670 20 0 EHADRM CCCc1nc(=NC(=O)N2CCCCC[C@@H]2c2ccc(C)o2)s[n-]1 ZINC000582269477 1025720994 /nfs/dbraw/zinc/72/09/94/1025720994.db2.gz IDXFEPYFGMGLJC-CYBMUJFWSA-N -1 0 348.472 3.963 20 0 EHADRM CSCc1cc(F)ccc1CN=c1nc(C(F)(F)F)[n-]s1 ZINC000342476990 1025756724 /nfs/dbraw/zinc/75/67/24/1025756724.db2.gz FUEHIFAOCVIYPZ-UHFFFAOYSA-N -1 0 337.367 3.593 20 0 EHADRM C=Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)cc1 ZINC000436479122 1025757602 /nfs/dbraw/zinc/75/76/02/1025757602.db2.gz UDFPIPJIANXIER-UHFFFAOYSA-N -1 0 331.422 3.582 20 0 EHADRM CCOc1cccc([N-]S(=O)(=O)c2cnc3ccc(F)cc3c2)c1 ZINC000436479200 1025757788 /nfs/dbraw/zinc/75/77/88/1025757788.db2.gz UJHGXUDMJDJCJZ-UHFFFAOYSA-N -1 0 346.383 3.573 20 0 EHADRM CCCC[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000347262040 1025758923 /nfs/dbraw/zinc/75/89/23/1025758923.db2.gz OSAIFWJSWQKXMC-ZANVPECISA-N -1 0 348.226 3.520 20 0 EHADRM C[C@@H](NC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-])[C@@H]1CCOC1 ZINC000436483752 1025788263 /nfs/dbraw/zinc/78/82/63/1025788263.db2.gz CNSQCYQVQMBZAW-TZMCWYRMSA-N -1 0 345.826 3.867 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)c2scnc2C2CC2)cc1 ZINC000191081562 1025796647 /nfs/dbraw/zinc/79/66/47/1025796647.db2.gz QCKXUZAQALAPJN-UHFFFAOYSA-N -1 0 346.408 3.516 20 0 EHADRM COc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)ccc1Cl ZINC000191110111 1025862326 /nfs/dbraw/zinc/86/23/26/1025862326.db2.gz RPLPZCNHOPNTKK-HNNXBMFYSA-N -1 0 347.798 3.603 20 0 EHADRM CCc1onc(C)c1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000281990777 1025870144 /nfs/dbraw/zinc/87/01/44/1025870144.db2.gz NIEFMVDLDRDLBY-UHFFFAOYSA-N -1 0 335.212 3.653 20 0 EHADRM O=C(Nc1nncs1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436563727 1025887594 /nfs/dbraw/zinc/88/75/94/1025887594.db2.gz PWOLLKBLAHIKCJ-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)Nc1cc(Cl)c(OC)c(Cl)c1)C(=O)[O-] ZINC000582338762 1025894752 /nfs/dbraw/zinc/89/47/52/1025894752.db2.gz GSGFFXBLGLNCFF-WRWORJQWSA-N -1 0 349.214 3.623 20 0 EHADRM O=C(NCc1ccc(F)cn1)c1cc(Cl)c2ccccc2c1[O-] ZINC000436597461 1025917021 /nfs/dbraw/zinc/91/70/21/1025917021.db2.gz QAWFHUKAWAGIDN-UHFFFAOYSA-N -1 0 330.746 3.663 20 0 EHADRM FC(F)(F)Cc1n[n-]c(=NCc2cc3ccccc3s2)s1 ZINC000475058936 1025921777 /nfs/dbraw/zinc/92/17/77/1025921777.db2.gz GOEVQUUQACWFAM-UHFFFAOYSA-N -1 0 329.372 3.892 20 0 EHADRM CCn1cc(C(=O)N=c2nc(-c3ccccc3)[n-]s2)c2ccccc21 ZINC000522068461 1025924014 /nfs/dbraw/zinc/92/40/14/1025924014.db2.gz SJMWNCMPSGKAFX-UHFFFAOYSA-N -1 0 348.431 3.854 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N2CCCC3(CCCCC3)C2)s1 ZINC000522074589 1025942001 /nfs/dbraw/zinc/94/20/01/1025942001.db2.gz QOYDABAPVIJYQS-UHFFFAOYSA-N -1 0 336.505 3.881 20 0 EHADRM C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436626327 1025953131 /nfs/dbraw/zinc/95/31/31/1025953131.db2.gz HECFSEYKEMOGRK-POYBYMJQSA-N -1 0 325.689 3.598 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CCCOc2cccc(F)c2)c1 ZINC000436652233 1025980952 /nfs/dbraw/zinc/98/09/52/1025980952.db2.gz LECNCNUNIDJCRT-UHFFFAOYSA-N -1 0 345.370 3.922 20 0 EHADRM C[C@H](OCCCNC(=O)c1ccc(Cl)cc1O)c1ccccc1 ZINC000436656044 1025982855 /nfs/dbraw/zinc/98/28/55/1025982855.db2.gz FMWKJVXOESRHAP-ZDUSSCGKSA-N -1 0 333.815 3.943 20 0 EHADRM CC(C)c1ccc(C(=O)N2Cc3ccc(O)cc3C3(CC3)C2)c(O)c1 ZINC000436655820 1025983905 /nfs/dbraw/zinc/98/39/05/1025983905.db2.gz ODEAWMOOZWJYAF-UHFFFAOYSA-N -1 0 337.419 3.909 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1ncc(-c2cccc(Cl)c2)o1)C1CCC1 ZINC000582371578 1025986734 /nfs/dbraw/zinc/98/67/34/1025986734.db2.gz DVHZKYJVXBKBQX-NSHDSACASA-N -1 0 334.803 3.823 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])CCO1 ZINC000436641877 1025987915 /nfs/dbraw/zinc/98/79/15/1025987915.db2.gz PWYBVSLMJNLQQO-GFCCVEGCSA-N -1 0 331.799 3.574 20 0 EHADRM O=S(=O)(c1nc2ccccc2[n-]1)[C@@H]1CCc2c1cccc2Cl ZINC000443395271 1025993037 /nfs/dbraw/zinc/99/30/37/1025993037.db2.gz SZUZKLKFLFVZIX-OAHLLOKOSA-N -1 0 332.812 3.678 20 0 EHADRM O=S(=O)(N[C@@H]1CC=CCC1)c1ccc(Cl)cc1C(F)(F)F ZINC000522968204 1026012734 /nfs/dbraw/zinc/01/27/34/1026012734.db2.gz DNYWGXLDONKDQR-SNVBAGLBSA-N -1 0 339.766 3.746 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccncc2C(F)(F)F)c1 ZINC000436659106 1026018028 /nfs/dbraw/zinc/01/80/28/1026018028.db2.gz PZCYAHLWXMKONI-UHFFFAOYSA-N -1 0 338.285 3.651 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccnn2C2CCCC2)c1 ZINC000436658550 1026018772 /nfs/dbraw/zinc/01/87/72/1026018772.db2.gz OGFRDRBIVIMCFS-UHFFFAOYSA-N -1 0 327.384 3.549 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)Cc2csc3ccccc23)c1 ZINC000436683040 1026034987 /nfs/dbraw/zinc/03/49/87/1026034987.db2.gz YCLUSRASQODINY-UHFFFAOYSA-N -1 0 325.389 3.991 20 0 EHADRM CC(C)(C)CS(=O)(=O)[N-][C@@H](c1c[nH]c2ccccc12)C(F)(F)F ZINC000443443005 1026040929 /nfs/dbraw/zinc/04/09/29/1026040929.db2.gz HWANRXXPRKAHIF-ZDUSSCGKSA-N -1 0 348.390 3.737 20 0 EHADRM C[C@H]1C[C@H](CNC(=O)c2cc(Cl)c3ccccc3c2[O-])CCO1 ZINC000436713103 1026081950 /nfs/dbraw/zinc/08/19/50/1026081950.db2.gz AUZAIIYBZPFYTB-NWDGAFQWSA-N -1 0 333.815 3.744 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCC[C@H]1[C@H]1CCCO1 ZINC000436715974 1026085088 /nfs/dbraw/zinc/08/50/88/1026085088.db2.gz RFCDCJUCBSANNW-DLBZAZTESA-N -1 0 345.826 3.982 20 0 EHADRM COc1cc([C@H](C)NC(=O)c2c([O-])cc(Cl)cc2Cl)ccn1 ZINC000436734769 1026125638 /nfs/dbraw/zinc/12/56/38/1026125638.db2.gz CLTBQUBVYZLEFU-QMMMGPOBSA-N -1 0 341.194 3.594 20 0 EHADRM CCN(C(=O)c1ccc(Cl)cc1[O-])c1ccc(OC)c(OC)c1 ZINC000436759193 1026127814 /nfs/dbraw/zinc/12/78/14/1026127814.db2.gz UTLMIVDYXMDBAW-UHFFFAOYSA-N -1 0 335.787 3.730 20 0 EHADRM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(C(F)(F)F)cc2O)C1(C)C ZINC000436751698 1026139802 /nfs/dbraw/zinc/13/98/02/1026139802.db2.gz NAUKBQINELUICU-UONOGXRCSA-N -1 0 345.361 3.687 20 0 EHADRM NC(=O)c1cccc(NC(=O)c2cc(Cl)c3ccccc3c2[O-])c1 ZINC000436757072 1026146997 /nfs/dbraw/zinc/14/69/97/1026146997.db2.gz GGSUBXJJEBDYQR-UHFFFAOYSA-N -1 0 340.766 3.550 20 0 EHADRM C[C@H](c1ccccc1)[C@H](C)NC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000582398174 1026159458 /nfs/dbraw/zinc/15/94/58/1026159458.db2.gz BUFUUGRGYCSMJP-MPGHIAIKSA-N -1 0 340.423 3.646 20 0 EHADRM CC(C)c1cccc(NC(=O)N[C@H](CCOC(C)(C)C)C(=O)[O-])c1 ZINC000582404729 1026171788 /nfs/dbraw/zinc/17/17/88/1026171788.db2.gz QHAQUPYLEXRBCB-OAHLLOKOSA-N -1 0 336.432 3.590 20 0 EHADRM COc1ccc2oc([C@H](C)NC(=O)C(C)(C)CCC(=O)[O-])c(C)c2c1 ZINC000634821071 1026192135 /nfs/dbraw/zinc/19/21/35/1026192135.db2.gz NOEZVXNDOBPPHL-LBPRGKRZSA-N -1 0 347.411 3.818 20 0 EHADRM O=S(=O)(NC[C@H]1CCCCC1(F)F)c1cc2cc(F)ccc2o1 ZINC000451641905 1026197817 /nfs/dbraw/zinc/19/78/17/1026197817.db2.gz WGQOOHJJZBFYRJ-LLVKDONJSA-N -1 0 347.358 3.676 20 0 EHADRM Cc1cc(Nc2ccc(N3CCOCC3)c(C)c2)cc(C(=O)[O-])c1 ZINC001211544901 1026231304 /nfs/dbraw/zinc/23/13/04/1026231304.db2.gz NSAPNTDXEBIFLR-UHFFFAOYSA-N -1 0 326.396 3.582 20 0 EHADRM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000614732263 1026235713 /nfs/dbraw/zinc/23/57/13/1026235713.db2.gz VMKBINOAAHZLFX-UHFFFAOYSA-N -1 0 326.421 3.961 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cccc(C(=O)c3ccccc3)c2)CCC1 ZINC000262432882 1026247402 /nfs/dbraw/zinc/24/74/02/1026247402.db2.gz BXVXWIOLKPEONY-UHFFFAOYSA-N -1 0 337.375 3.501 20 0 EHADRM CCOc1cc(-c2ccccc2)sc1C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000237065743 1026255875 /nfs/dbraw/zinc/25/58/75/1026255875.db2.gz MTGZLSDEACXSJN-LBPRGKRZSA-N -1 0 347.436 3.607 20 0 EHADRM CCC(=O)Nc1ccc(NC(=O)CC2(CC(=O)[O-])CCCCC2)cc1 ZINC000048383500 1026262015 /nfs/dbraw/zinc/26/20/15/1026262015.db2.gz ATMWKJKRHYMZBA-UHFFFAOYSA-N -1 0 346.427 3.789 20 0 EHADRM O=C(c1cc(Br)c(F)cc1[O-])N1CCC[C@@H](C2CC2)C1 ZINC000451786791 1026284392 /nfs/dbraw/zinc/28/43/92/1026284392.db2.gz LDGYKZAGVWEEHW-SNVBAGLBSA-N -1 0 342.208 3.556 20 0 EHADRM C[C@H](CCNC(=O)C[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000684881640 1026321896 /nfs/dbraw/zinc/32/18/96/1026321896.db2.gz NOCJUNBYCWEOCM-CRAIPNDOSA-N -1 0 325.408 3.555 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)N(CC(=O)[O-])C3CCC3)cc2s1 ZINC000582464432 1026342031 /nfs/dbraw/zinc/34/20/31/1026342031.db2.gz ICXGAJWVXHGTHM-UHFFFAOYSA-N -1 0 347.440 3.891 20 0 EHADRM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000634822755 1026393138 /nfs/dbraw/zinc/39/31/38/1026393138.db2.gz DVFNBENXSIGOSG-CVEARBPZSA-N -1 0 340.379 3.703 20 0 EHADRM Cc1cc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cc(C(=O)[O-])c1C ZINC000324902997 1026455803 /nfs/dbraw/zinc/45/58/03/1026455803.db2.gz OKNQOPIXQXLEGT-MRXNPFEDSA-N -1 0 345.782 3.597 20 0 EHADRM CC(C)Nc1ccc(F)cc1NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000582548875 1026544782 /nfs/dbraw/zinc/54/47/82/1026544782.db2.gz XHPBJZFUIJPRMT-UHFFFAOYSA-N -1 0 336.407 3.866 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)CC3(C(=O)[O-])CCC3)ccc2o1 ZINC000262492690 1026625720 /nfs/dbraw/zinc/62/57/20/1026625720.db2.gz JMVLKOWAARVSML-UHFFFAOYSA-N -1 0 330.384 3.709 20 0 EHADRM CCc1nc([C@@H](C)Nc2nc(-c3cccc(OC)c3)no2)cs1 ZINC000301382678 1026784601 /nfs/dbraw/zinc/78/46/01/1026784601.db2.gz AVYMTEFBKUFWBD-SNVBAGLBSA-N -1 0 330.413 3.937 20 0 EHADRM Cc1cc(NC(=O)NC(C)(C)CCC(=O)[O-])ccc1Br ZINC000050196598 1026935761 /nfs/dbraw/zinc/93/57/61/1026935761.db2.gz JPFITCBVJSEHOL-UHFFFAOYSA-N -1 0 343.221 3.522 20 0 EHADRM CCCN(C(=O)N[C@@H](CC)c1cccc(Cl)c1)[C@@H](C)C(=O)[O-] ZINC000560485671 1026994858 /nfs/dbraw/zinc/99/48/58/1026994858.db2.gz CDBNRAMCFUYXFO-FZMZJTMJSA-N -1 0 326.824 3.686 20 0 EHADRM Cc1ccc2c(c1)[C@H](NC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1)CO2 ZINC000531654636 1027160575 /nfs/dbraw/zinc/16/05/75/1027160575.db2.gz DMTAPOVZWCYVCE-UZLBHIALSA-N -1 0 345.439 3.606 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)c1 ZINC000414436251 1027278458 /nfs/dbraw/zinc/27/84/58/1027278458.db2.gz BXBSFTKLLCPUGR-CYBMUJFWSA-N -1 0 343.345 3.744 20 0 EHADRM Cc1cnc([C@@H](C)Sc2n[n-]c(=NCCc3ccccc3)s2)o1 ZINC000536558558 1027295196 /nfs/dbraw/zinc/29/51/96/1027295196.db2.gz IFAWFECZQMAOJA-GFCCVEGCSA-N -1 0 346.481 3.764 20 0 EHADRM Cc1cc(/C=C/C(=O)N(C)CCCC(=O)[O-])c(C)n1C1CCCCC1 ZINC000237283646 1027357282 /nfs/dbraw/zinc/35/72/82/1027357282.db2.gz UKCGFSGFIXFYBV-VAWYXSNFSA-N -1 0 346.471 3.947 20 0 EHADRM COc1c(F)c(F)ccc1Nc1c(C)cc(C)cc1S(=O)(=O)[O-] ZINC001211898834 1027361432 /nfs/dbraw/zinc/36/14/32/1027361432.db2.gz QNASSYTYZFKPER-UHFFFAOYSA-N -1 0 343.351 3.581 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CC[C@H](C)[C@@H](C)C3)n2)cc1 ZINC000501614951 1027401810 /nfs/dbraw/zinc/40/18/10/1027401810.db2.gz KKXHURSOWNBSOT-GJZGRUSLSA-N -1 0 341.455 3.819 20 0 EHADRM CC(C)(C)Oc1c(F)cc(NC(=O)[C@@H]2CCC[C@@H]2C(=O)[O-])cc1F ZINC000634828968 1027521709 /nfs/dbraw/zinc/52/17/09/1027521709.db2.gz JVPYRMMSWORFAG-MNOVXSKESA-N -1 0 341.354 3.582 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(CC)s1 ZINC000614759448 1027536318 /nfs/dbraw/zinc/53/63/18/1027536318.db2.gz HQFCWMJKSQXFPR-UHFFFAOYSA-N -1 0 325.455 3.900 20 0 EHADRM CCCOc1cccc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)c1 ZINC000303691830 1027623395 /nfs/dbraw/zinc/62/33/95/1027623395.db2.gz PTYCMSOPVYUPIB-UHFFFAOYSA-N -1 0 340.832 3.633 20 0 EHADRM c1ccc([C@H](N=c2nc(C3CCCC3)[n-]s2)[C@@H]2CCOC2)cc1 ZINC000420609714 1027642929 /nfs/dbraw/zinc/64/29/29/1027642929.db2.gz KUWLFKXCNRHIKU-CVEARBPZSA-N -1 0 329.469 3.807 20 0 EHADRM CCOC(=O)c1cnc(Nc2cc(F)c(O)c(F)c2)c(Cl)c1 ZINC001213373453 1027670413 /nfs/dbraw/zinc/67/04/13/1027670413.db2.gz FPIJDQRNAOROLO-UHFFFAOYSA-N -1 0 328.702 3.639 20 0 EHADRM CC[C@@H](NC(=O)CC1(C(=O)[O-])CCCCC1)c1ccc(F)cc1F ZINC000523105152 1027705974 /nfs/dbraw/zinc/70/59/74/1027705974.db2.gz DRQLHGHYUHSMFB-OAHLLOKOSA-N -1 0 339.382 3.957 20 0 EHADRM CN(CC(=O)[O-])c1ccc(-c2nc(-c3cccc(Cl)c3)no2)cc1 ZINC001211943102 1027783807 /nfs/dbraw/zinc/78/38/07/1027783807.db2.gz YWFSKQCPCJUGJQ-UHFFFAOYSA-N -1 0 343.770 3.578 20 0 EHADRM CCCCCN(C(=O)C(=O)Nc1ccccc1C(=O)[O-])[C@@H](C)CCC ZINC000422633120 1027831111 /nfs/dbraw/zinc/83/11/11/1027831111.db2.gz ICOZDDZHIYCKAD-AWEZNQCLSA-N -1 0 348.443 3.531 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)N(CC(=O)[O-])C2CCCC2)cc1 ZINC000582823477 1027862840 /nfs/dbraw/zinc/86/28/40/1027862840.db2.gz IBBMBYIAIWXCGY-UHFFFAOYSA-N -1 0 348.443 3.973 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc2cc(F)ccc2s1 ZINC000261877983 1027898406 /nfs/dbraw/zinc/89/84/06/1027898406.db2.gz MBZPUHUGYNVTFV-SWHYSGLUSA-N -1 0 347.411 3.898 20 0 EHADRM Cc1ccc(C)c(S([O-])=CC(=O)NC2(c3ccccc3)CCC2)c1 ZINC000132383403 1027916924 /nfs/dbraw/zinc/91/69/24/1027916924.db2.gz FIXQYERMTXCGHJ-DEOSSOPVSA-N -1 0 341.476 3.607 20 0 EHADRM CCCC[C@@H](NC(=O)c1cn(CC(C)C)c2ccccc12)C(=O)[O-] ZINC000347374667 1028057917 /nfs/dbraw/zinc/05/79/17/1028057917.db2.gz XELSVFIMGNMQRN-MRXNPFEDSA-N -1 0 330.428 3.671 20 0 EHADRM CC(C)C[C@H]1C[C@H](N=c2[n-]nc(Cc3ccc(F)cc3)s2)CCO1 ZINC000544393039 1028154420 /nfs/dbraw/zinc/15/44/20/1028154420.db2.gz PMEIOBKAULKTHU-CVEARBPZSA-N -1 0 349.475 3.696 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2noc(C(C)(C)C)n2)cc1 ZINC000502425359 1028211007 /nfs/dbraw/zinc/21/10/07/1028211007.db2.gz MQACZGLEJAUGGZ-LLVKDONJSA-N -1 0 337.445 3.681 20 0 EHADRM CCCCN(C(=O)N=c1nc([C@@H](C)OC)[n-]s1)C1CCCCC1 ZINC000455457018 1028218482 /nfs/dbraw/zinc/21/84/82/1028218482.db2.gz QCATXNFYCCNDAT-GFCCVEGCSA-N -1 0 340.493 3.634 20 0 EHADRM CC1(c2cc(NC(=O)c3cc(F)c([O-])c(Cl)c3)no2)CCCC1 ZINC000582911959 1028235740 /nfs/dbraw/zinc/23/57/40/1028235740.db2.gz USELIGQERRXHQD-UHFFFAOYSA-N -1 0 338.766 3.679 20 0 EHADRM CCOC(=O)Cc1ccc(Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC001211966626 1028304425 /nfs/dbraw/zinc/30/44/25/1028304425.db2.gz INXOPUHZCCKLNZ-UHFFFAOYSA-N -1 0 333.771 3.887 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2ccc3c(c2)S(=O)(=O)C=C3)c1 ZINC001211967053 1028328927 /nfs/dbraw/zinc/32/89/27/1028328927.db2.gz TVJUKYQUMIYXKK-UHFFFAOYSA-N -1 0 335.768 3.540 20 0 EHADRM COC(=O)c1ccc(Nc2cc(Cl)cc(C(=O)[O-])c2)c(C(C)=O)c1 ZINC001211967229 1028335310 /nfs/dbraw/zinc/33/53/10/1028335310.db2.gz XCJQYGJSKNBFCM-UHFFFAOYSA-N -1 0 347.754 3.771 20 0 EHADRM COc1ccc(Nc2cccc(C(=O)[O-])c2C)c(Br)n1 ZINC001216659011 1028346080 /nfs/dbraw/zinc/34/60/80/1028346080.db2.gz LZWGAKIQZHJSBU-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccccc2OCC(C)C)c1 ZINC000614863307 1028363071 /nfs/dbraw/zinc/36/30/71/1028363071.db2.gz WZLTUWYZLABMMY-UHFFFAOYSA-N -1 0 337.416 3.970 20 0 EHADRM CCOC(=O)CCCCSc1n[n-]c(=Nc2ccccc2)s1 ZINC000523497954 1028378508 /nfs/dbraw/zinc/37/85/08/1028378508.db2.gz OZPNZHUHMFBOIY-UHFFFAOYSA-N -1 0 337.470 3.529 20 0 EHADRM COc1cc(C(=O)N2CCC[C@H]2C2CCCCC2)cc(OC)c1O ZINC000161975264 1028386447 /nfs/dbraw/zinc/38/64/47/1028386447.db2.gz QNWFMGUIGHUZSF-HNNXBMFYSA-N -1 0 333.428 3.594 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2ccc3c(c2)CN(C2CC2)C3=O)c1 ZINC001211969399 1028426547 /nfs/dbraw/zinc/42/65/47/1028426547.db2.gz HOGPCLQHBJZVRX-UHFFFAOYSA-N -1 0 342.782 3.900 20 0 EHADRM CC(C)C[C@H](NC(=O)CCc1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000236589346 1028551211 /nfs/dbraw/zinc/55/12/11/1028551211.db2.gz BQTNAAHRESCFNX-SFHVURJKSA-N -1 0 347.455 3.556 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000236674015 1028563036 /nfs/dbraw/zinc/56/30/36/1028563036.db2.gz DCHBQXMKGSMKPU-NWDGAFQWSA-N -1 0 344.238 3.666 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC000236969679 1028604616 /nfs/dbraw/zinc/60/46/16/1028604616.db2.gz BIMAHXBEIRUPAI-ZUZCIYMTSA-N -1 0 335.787 3.829 20 0 EHADRM O=S(=O)([N-]c1cccc(C(F)F)c1)c1cnn(-c2ccccc2)c1 ZINC000195451266 1028613028 /nfs/dbraw/zinc/61/30/28/1028613028.db2.gz UIUZZWALJGHIGX-UHFFFAOYSA-N -1 0 349.362 3.611 20 0 EHADRM CN(Cc1csc2ccccc12)C(=O)c1ccc(C(=O)[O-])s1 ZINC000237190415 1028642606 /nfs/dbraw/zinc/64/26/06/1028642606.db2.gz AXVZFRDKGLVHHY-UHFFFAOYSA-N -1 0 331.418 3.933 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)Cc1c(F)cccc1Cl ZINC000237590845 1028655603 /nfs/dbraw/zinc/65/56/03/1028655603.db2.gz ZSNOCFCCOGSOTG-MRXNPFEDSA-N -1 0 349.789 3.662 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2cccc(C(=O)[O-])c2)C2CC2)o1 ZINC000237569534 1028656787 /nfs/dbraw/zinc/65/67/87/1028656787.db2.gz ZVJNPUJFLHEUOY-SJCJKPOMSA-N -1 0 339.391 3.906 20 0 EHADRM Cc1nc([C@H](C)NC(=O)c2cccc3ccccc32)sc1C(=O)[O-] ZINC000237622587 1028659833 /nfs/dbraw/zinc/65/98/33/1028659833.db2.gz SOYBGROHFGAXOY-NSHDSACASA-N -1 0 340.404 3.794 20 0 EHADRM Cc1ccc(CCCC(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)cc1 ZINC000237695819 1028662316 /nfs/dbraw/zinc/66/23/16/1028662316.db2.gz OBBHEFBYFHUQRS-IBGZPJMESA-N -1 0 339.435 3.958 20 0 EHADRM O=C(CCSc1ccc(Cl)cc1)N=c1ccc(C2CC2)n[n-]1 ZINC000523845659 1028672603 /nfs/dbraw/zinc/67/26/03/1028672603.db2.gz BPKYQUQCUWYJEA-UHFFFAOYSA-N -1 0 333.844 3.550 20 0 EHADRM Cc1cc(CN=c2[n-]nc(CCc3ccccc3)o2)ccc1Cl ZINC000502854299 1028756084 /nfs/dbraw/zinc/75/60/84/1028756084.db2.gz YHDKUTXXFDGNTQ-UHFFFAOYSA-N -1 0 327.815 3.851 20 0 EHADRM C[C@H](NC(=O)C(C)(C)CCC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000634831971 1028777347 /nfs/dbraw/zinc/77/73/47/1028777347.db2.gz ORJDIWPZLYMSRL-JTQLQIEISA-N -1 0 347.333 3.653 20 0 EHADRM CC[C@H](NC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])C1CCCCC1 ZINC000327418739 1028799634 /nfs/dbraw/zinc/79/96/34/1028799634.db2.gz OBZRCYIOQGHGAT-ZWKOTPCHSA-N -1 0 344.455 3.566 20 0 EHADRM Cc1c(Cl)c(CN[C@H](CC(=O)[O-])c2ccc(C(C)C)cc2)nn1C ZINC000421812162 1028800366 /nfs/dbraw/zinc/80/03/66/1028800366.db2.gz BJVDILZXGAEVMJ-OAHLLOKOSA-N -1 0 349.862 3.811 20 0 EHADRM C[C@@H](NC(=O)c1cc(F)c(F)cc1C(=O)[O-])C1CCC(F)(F)CC1 ZINC000634844115 1028895873 /nfs/dbraw/zinc/89/58/73/1028895873.db2.gz DKEAXVQISIEQNW-MRVPVSSYSA-N -1 0 347.308 3.607 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000424226103 1028898404 /nfs/dbraw/zinc/89/84/04/1028898404.db2.gz NXNAESLBKIPUHD-HNNXBMFYSA-N -1 0 325.408 3.830 20 0 EHADRM COc1cccc(-c2nc(CN3CCC[C@@H](C)[C@H]3C(=O)[O-])cs2)c1 ZINC000424274072 1028946657 /nfs/dbraw/zinc/94/66/57/1028946657.db2.gz VCKIFNSZMHAPDB-WBMJQRKESA-N -1 0 346.452 3.504 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)c2cc3cc(F)ccc3s2)C1 ZINC000261851515 1028993439 /nfs/dbraw/zinc/99/34/39/1028993439.db2.gz JMWQNXMEYNOVQN-QGZVFWFLSA-N -1 0 335.400 3.613 20 0 EHADRM CCCOc1ccccc1NC(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000634852666 1029007443 /nfs/dbraw/zinc/00/74/43/1029007443.db2.gz JNZGOKQIKWBQIB-OAHLLOKOSA-N -1 0 327.380 3.672 20 0 EHADRM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000445697597 1029058680 /nfs/dbraw/zinc/05/86/80/1029058680.db2.gz RFZIMYMEVNYMQA-JTQLQIEISA-N -1 0 347.761 3.734 20 0 EHADRM Fc1cc(-c2ccco2)ccc1CN=c1[n-]nc(-c2ccon2)s1 ZINC000343087931 1029085702 /nfs/dbraw/zinc/08/57/02/1029085702.db2.gz XMENQNKBYKMGSQ-UHFFFAOYSA-N -1 0 342.355 3.626 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCN(C2CC2)c2cc(F)ccc21 ZINC001269654004 1029088040 /nfs/dbraw/zinc/08/80/40/1029088040.db2.gz KMYDVYHPZLVCBC-UHFFFAOYSA-N -1 0 346.789 3.814 20 0 EHADRM CCCC[C@H]1CCC[C@@H]1NC(=O)N=c1[n-]nc(SCC)s1 ZINC000524366174 1029102606 /nfs/dbraw/zinc/10/26/06/1029102606.db2.gz RTJQEJPQTGROKE-QWRGUYRKSA-N -1 0 328.507 3.552 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000237379980 1029107388 /nfs/dbraw/zinc/10/73/88/1029107388.db2.gz WSFPTLOKDVNHAS-CYBMUJFWSA-N -1 0 337.847 3.812 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000237396151 1029130116 /nfs/dbraw/zinc/13/01/16/1029130116.db2.gz RRRVMIKRMFPICB-JWAFFJSPSA-N -1 0 331.412 3.851 20 0 EHADRM CC(C)(C)c1nc(CC(=O)NCCCCCCCC(=O)[O-])cs1 ZINC000271937065 1029235496 /nfs/dbraw/zinc/23/54/96/1029235496.db2.gz DBQFUHGYYFLJKT-UHFFFAOYSA-N -1 0 340.489 3.525 20 0 EHADRM CCc1csc([C@H]2CCCN(C(=O)c3c([O-])cccc3F)C2)n1 ZINC000124493294 1029245928 /nfs/dbraw/zinc/24/59/28/1029245928.db2.gz ZBYSKOLZKNENMU-NSHDSACASA-N -1 0 334.416 3.570 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)c1 ZINC000272055016 1029291168 /nfs/dbraw/zinc/29/11/68/1029291168.db2.gz FMVANANUYLGESS-UHFFFAOYSA-N -1 0 341.411 3.676 20 0 EHADRM CC(C)(C)Oc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000524549294 1029292996 /nfs/dbraw/zinc/29/29/96/1029292996.db2.gz VLASKOGUXSKCGA-UHFFFAOYSA-N -1 0 341.379 3.943 20 0 EHADRM CCc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2CCC[C@@H]2C(=O)[O-])o1 ZINC000634887216 1029377215 /nfs/dbraw/zinc/37/72/15/1029377215.db2.gz BPGKMMAJUSGUEV-PMPSAXMXSA-N -1 0 333.428 3.787 20 0 EHADRM CCCC1(CNC(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)CC1 ZINC000583241465 1029382413 /nfs/dbraw/zinc/38/24/13/1029382413.db2.gz OFTKTWVTQHLJNX-UHFFFAOYSA-N -1 0 338.835 3.517 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2cccc(Nc3ccccc3)c2)C1 ZINC000533188824 1029452430 /nfs/dbraw/zinc/45/24/30/1029452430.db2.gz VNCCEZHNSIILID-HNNXBMFYSA-N -1 0 338.407 3.757 20 0 EHADRM CCc1oc(C(=O)N[C@H](C)c2cccc(OC(C)C)c2)cc1C(=O)[O-] ZINC000261640132 1029467220 /nfs/dbraw/zinc/46/72/20/1029467220.db2.gz KTJONJRYFWCWLO-GFCCVEGCSA-N -1 0 345.395 3.818 20 0 EHADRM CCc1oc(C(=O)N[C@H]2CCCC[C@H]2c2ccccc2)cc1C(=O)[O-] ZINC000261616667 1029475113 /nfs/dbraw/zinc/47/51/13/1029475113.db2.gz GUXBROBLRDTSCJ-HOCLYGCPSA-N -1 0 341.407 3.996 20 0 EHADRM C[C@@H]1CCC[C@H](C)N(C(=O)c2cccc(Br)c2[O-])C1 ZINC000524739689 1029477652 /nfs/dbraw/zinc/47/76/52/1029477652.db2.gz FODHCOZKLXERIW-MNOVXSKESA-N -1 0 326.234 3.805 20 0 EHADRM CCc1oc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1C(=O)[O-] ZINC000261717498 1029489971 /nfs/dbraw/zinc/48/99/71/1029489971.db2.gz WBDQMPPGTNSGBJ-UHFFFAOYSA-N -1 0 341.407 3.635 20 0 EHADRM CCc1ccc(O)c(C(=O)N2C[C@@H](C)O[C@H](c3ccsc3)C2)c1 ZINC000150868696 1029514293 /nfs/dbraw/zinc/51/42/93/1029514293.db2.gz BYNWKBQTYZHDGA-PXAZEXFGSA-N -1 0 331.437 3.618 20 0 EHADRM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)CC1(C(=O)[O-])CCCC1 ZINC000634899473 1029518077 /nfs/dbraw/zinc/51/80/77/1029518077.db2.gz LWZQKHRLDPJWMH-DZGCQCFKSA-N -1 0 333.403 3.565 20 0 EHADRM CC[C@@H](C)n1ncc(C(=O)Nc2cc(C(C)=O)ccc2[O-])c1C1CC1 ZINC000272703806 1029573802 /nfs/dbraw/zinc/57/38/02/1029573802.db2.gz SUWVCYFPYJCYDM-LLVKDONJSA-N -1 0 341.411 3.892 20 0 EHADRM C[C@H](CC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1cccc(F)c1 ZINC000262237769 1029575603 /nfs/dbraw/zinc/57/56/03/1029575603.db2.gz TZAGLVNTOIXTGQ-ACJLOTCBSA-N -1 0 341.382 3.530 20 0 EHADRM Cc1ccsc1CN(C)C(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000262565670 1029605429 /nfs/dbraw/zinc/60/54/29/1029605429.db2.gz BGDLODHFHBPIHP-LBPRGKRZSA-N -1 0 349.477 3.894 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)c1ccc(-c2ccc(F)cc2)s1)C1CC1 ZINC000262591766 1029611280 /nfs/dbraw/zinc/61/12/80/1029611280.db2.gz HWUIEWDIJYVMEU-JTQLQIEISA-N -1 0 333.384 3.632 20 0 EHADRM CC(C)CC[C@H]1CCCN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000155697519 1029623249 /nfs/dbraw/zinc/62/32/49/1029623249.db2.gz ZYMYHFZAOMATJZ-OAHLLOKOSA-N -1 0 327.428 3.619 20 0 EHADRM CCCOc1c(C[NH2+]Cc2ccc(C(=O)[O-])cc2)cccc1OCC ZINC000262717251 1029626173 /nfs/dbraw/zinc/62/61/73/1029626173.db2.gz SQTMPTBVQSNUJU-UHFFFAOYSA-N -1 0 343.423 3.862 20 0 EHADRM CC(C)(C(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1)C1CCCC1 ZINC000262851361 1029645094 /nfs/dbraw/zinc/64/50/94/1029645094.db2.gz HVZYEVRIWMPBOC-IRXDYDNUSA-N -1 0 329.440 3.530 20 0 EHADRM O=C([O-])[C@@H]1CN(Cc2cc(Cl)ccc2Cl)C[C@H]1C(F)(F)F ZINC000262897583 1029649191 /nfs/dbraw/zinc/64/91/91/1029649191.db2.gz DGSWTXARDFDNFP-NXEZZACHSA-N -1 0 342.144 3.688 20 0 EHADRM CCC1(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)CCC1 ZINC000262941626 1029652206 /nfs/dbraw/zinc/65/22/06/1029652206.db2.gz ZPXZZVLSFVLPMM-LSDHHAIUSA-N -1 0 335.831 3.547 20 0 EHADRM C[C@H](C(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1ccc(Cl)s1 ZINC000262992238 1029654484 /nfs/dbraw/zinc/65/44/84/1029654484.db2.gz SRJXZQAMCUGEGD-WDEREUQCSA-N -1 0 329.849 3.751 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1 ZINC000262995148 1029655716 /nfs/dbraw/zinc/65/57/16/1029655716.db2.gz VSOGHJQLPKEVLK-IRXDYDNUSA-N -1 0 343.810 3.589 20 0 EHADRM CC(C)(CCNC(=O)c1ccc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC000263014988 1029656535 /nfs/dbraw/zinc/65/65/35/1029656535.db2.gz NIJPHRHJZZRVPJ-UHFFFAOYSA-N -1 0 335.787 3.831 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000263029842 1029657941 /nfs/dbraw/zinc/65/79/41/1029657941.db2.gz QVELHRCZOPXJKP-LQWHRVPQSA-N -1 0 339.435 3.949 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(CCC(F)(F)F)cc2)C1 ZINC000263043082 1029660843 /nfs/dbraw/zinc/66/08/43/1029660843.db2.gz QLCCJGKSXAEHOD-INIZCTEOSA-N -1 0 343.345 3.508 20 0 EHADRM CCOc1c(Cl)cc(NC(=O)N(C)C[C@@H](C)C(=O)[O-])cc1Cl ZINC000263069352 1029663255 /nfs/dbraw/zinc/66/32/55/1029663255.db2.gz PTKKKMXZROUBDI-MRVPVSSYSA-N -1 0 349.214 3.577 20 0 EHADRM CCCc1csc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)n1 ZINC000263104128 1029667273 /nfs/dbraw/zinc/66/72/73/1029667273.db2.gz UYMWPXCFEVIOTP-UHFFFAOYSA-N -1 0 333.413 3.757 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cc(-c2ccccc2)ns1 ZINC000263104977 1029667350 /nfs/dbraw/zinc/66/73/50/1029667350.db2.gz JDQBRZYLQIGTJV-AWEZNQCLSA-N -1 0 344.436 3.670 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N3C[C@H](C(=O)[O-])CC[C@H]3C)o2)cc1 ZINC000263143111 1029668891 /nfs/dbraw/zinc/66/88/91/1029668891.db2.gz GXHXEYRQFZWEAH-CZUORRHYSA-N -1 0 341.407 3.834 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)N2CC[C@@](C(=O)[O-])(C(C)C)C2)cc1 ZINC000263152959 1029670431 /nfs/dbraw/zinc/67/04/31/1029670431.db2.gz ZFGBHILALKCJPC-YWZLYKJASA-N -1 0 331.456 3.702 20 0 EHADRM CC(C)(C(=O)NCc1ccc(C(=O)[O-])s1)c1ccc(Cl)cc1 ZINC000263170947 1029671285 /nfs/dbraw/zinc/67/12/85/1029671285.db2.gz JJKOCNDWVSPURC-UHFFFAOYSA-N -1 0 337.828 3.694 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)NCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000263249298 1029680269 /nfs/dbraw/zinc/68/02/69/1029680269.db2.gz OTGBNWPLYVNCBL-ZDUSSCGKSA-N -1 0 346.349 3.567 20 0 EHADRM CCC[C@@H](CNC(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000263253962 1029681450 /nfs/dbraw/zinc/68/14/50/1029681450.db2.gz VPGHHNXWEHXVIT-JSGCOSHPSA-N -1 0 345.361 3.816 20 0 EHADRM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)[C@H](C)CC2CCCC2)c1 ZINC000263268381 1029682684 /nfs/dbraw/zinc/68/26/84/1029682684.db2.gz XDQKCCUOETYMLP-JLTOFOAXSA-N -1 0 347.455 3.718 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2ccnc3c(Br)cccc23)C1 ZINC000263279726 1029683482 /nfs/dbraw/zinc/68/34/82/1029683482.db2.gz XDYWZACVOCGCDS-GHMZBOCLSA-N -1 0 349.228 3.544 20 0 EHADRM CCc1cc(C(=O)Nc2ccc3c(ccn3CC(=O)[O-])c2)oc1CC ZINC000263288857 1029683903 /nfs/dbraw/zinc/68/39/03/1029683903.db2.gz QJHZQUKARMGUSU-UHFFFAOYSA-N -1 0 340.379 3.696 20 0 EHADRM CC(C)Oc1ccccc1CC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000263294461 1029684376 /nfs/dbraw/zinc/68/43/76/1029684376.db2.gz MUNGVWLHNGJZTG-AWEZNQCLSA-N -1 0 341.407 3.843 20 0 EHADRM CCN(C(=O)c1cc(C)cc(C(=O)[O-])c1)[C@@H](C)Cc1ccsc1 ZINC000263320560 1029688017 /nfs/dbraw/zinc/68/80/17/1029688017.db2.gz NJPRGRVVXHRXMR-ZDUSSCGKSA-N -1 0 331.437 3.848 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C2(c3cccs3)CCCCC2)C1 ZINC000263314414 1029688254 /nfs/dbraw/zinc/68/82/54/1029688254.db2.gz IMVLRNJNBLIQIS-KBPBESRZSA-N -1 0 335.469 3.519 20 0 EHADRM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000263346450 1029690096 /nfs/dbraw/zinc/69/00/96/1029690096.db2.gz UFNSXGAXHWVFQY-RANZSIQMSA-N -1 0 329.440 3.796 20 0 EHADRM COc1ccc2sc(C(=O)N3CCC[C@H](C(=O)[O-])[C@@H]3C)c(C)c2c1 ZINC000263350672 1029690670 /nfs/dbraw/zinc/69/06/70/1029690670.db2.gz PQLYZZPGYGADCQ-AAEUAGOBSA-N -1 0 347.436 3.544 20 0 EHADRM COc1c(Cl)cc(Cl)cc1CN1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000263363192 1029691954 /nfs/dbraw/zinc/69/19/54/1029691954.db2.gz SMEJWNYZXKRMGX-ZJUUUORDSA-N -1 0 332.227 3.687 20 0 EHADRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)Cc1csc2ccccc12 ZINC000263427469 1029695740 /nfs/dbraw/zinc/69/57/40/1029695740.db2.gz KACJPFXQRMQBRJ-CABCVRRESA-N -1 0 331.437 3.594 20 0 EHADRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000263413524 1029696331 /nfs/dbraw/zinc/69/63/31/1029696331.db2.gz HLCNXQOYZQBAAO-XQHKEYJVSA-N -1 0 335.366 3.505 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2nc(-c3ccccc3)cs2)C1 ZINC000263437028 1029698015 /nfs/dbraw/zinc/69/80/15/1029698015.db2.gz OUJHJJUKSQZHAH-CYBMUJFWSA-N -1 0 344.436 3.527 20 0 EHADRM CC(C)(C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1)C1CCCC1 ZINC000263450426 1029699630 /nfs/dbraw/zinc/69/96/30/1029699630.db2.gz SDPNDISEMZVNDP-KRWDZBQOSA-N -1 0 331.456 3.795 20 0 EHADRM Cc1cccc(Oc2ccccc2C(=O)N[C@H](C)CCC(=O)[O-])c1 ZINC000263513603 1029705122 /nfs/dbraw/zinc/70/51/22/1029705122.db2.gz DBQNFEHSDAPILQ-CQSZACIVSA-N -1 0 327.380 3.770 20 0 EHADRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1cc(C)cc(F)c1 ZINC000446636378 1029733249 /nfs/dbraw/zinc/73/32/49/1029733249.db2.gz DRBLFEONHBXHPW-UHFFFAOYSA-N -1 0 341.429 3.665 20 0 EHADRM CC(C)(C)c1csc([N-]S(=O)(=O)Cc2c(F)cccc2F)n1 ZINC000446826181 1029810490 /nfs/dbraw/zinc/81/04/90/1029810490.db2.gz MROODJSBCJFDHD-UHFFFAOYSA-N -1 0 346.424 3.661 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N2C[C@H](C)C[C@@H]2C)s1)c1ccccc1 ZINC000525413458 1029841307 /nfs/dbraw/zinc/84/13/07/1029841307.db2.gz GADVYPXEBZWECY-VNHYZAJKSA-N -1 0 344.484 3.764 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2nc(C3CCC3)cs2)cc1 ZINC000446971297 1029875711 /nfs/dbraw/zinc/87/57/11/1029875711.db2.gz KHOCDOVMFKIEQS-UHFFFAOYSA-N -1 0 340.495 3.933 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)[C@H]3CC3(C)C)n2)c1 ZINC000508756679 1029889905 /nfs/dbraw/zinc/88/99/05/1029889905.db2.gz JLYTWFXVJBPFEA-INIZCTEOSA-N -1 0 327.428 3.572 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@@H](C)c2cccc(C(F)(F)F)c2)s[n-]1 ZINC000509694956 1029968871 /nfs/dbraw/zinc/96/88/71/1029968871.db2.gz VXJZQBNYJISBOJ-IUCAKERBSA-N -1 0 331.363 3.859 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)c(C)c1 ZINC000090166851 1030077619 /nfs/dbraw/zinc/07/76/19/1030077619.db2.gz LTABXKBHEWKFTG-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM CCc1ccc(CCC(=O)[N-]S(=O)(=O)c2ccc(C)s2)cc1 ZINC000042316563 1030143089 /nfs/dbraw/zinc/14/30/89/1030143089.db2.gz BQMVIMWVDYMJSU-UHFFFAOYSA-N -1 0 337.466 3.897 20 0 EHADRM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)N=c2cc(C)c(C)n[n-]2)cc1 ZINC000532070599 1030358733 /nfs/dbraw/zinc/35/87/33/1030358733.db2.gz NEGZHZXXZCBEGU-ROUUACIJSA-N -1 0 338.455 3.624 20 0 EHADRM CCCOc1ccc(C[NH2+][C@H](C(=O)[O-])c2ccc(OC)c(F)c2)cc1 ZINC000583670010 1030425881 /nfs/dbraw/zinc/42/58/81/1030425881.db2.gz VHQNTLLJVLOQKF-SFHVURJKSA-N -1 0 347.386 3.539 20 0 EHADRM CC(C)Oc1ccc(F)cc1NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000567970626 1030435497 /nfs/dbraw/zinc/43/54/97/1030435497.db2.gz QZSGJQLCCLNYJH-UHFFFAOYSA-N -1 0 337.391 3.833 20 0 EHADRM Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000447785839 1030487459 /nfs/dbraw/zinc/48/74/59/1030487459.db2.gz HTQGDPXJIXHWDU-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3OC)c1 ZINC000447790784 1030492062 /nfs/dbraw/zinc/49/20/62/1030492062.db2.gz ZQDRYUFXYXBRBX-KRWDZBQOSA-N -1 0 347.436 3.520 20 0 EHADRM CC(C)Oc1ccccc1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000060443061 1030557192 /nfs/dbraw/zinc/55/71/92/1030557192.db2.gz CIOXJDPOSKHWQV-UHFFFAOYSA-N -1 0 345.342 3.692 20 0 EHADRM CCOCCC1(CNC(=O)CC2(C(=O)[O-])CCCCC2)CCCC1 ZINC000532363384 1030569263 /nfs/dbraw/zinc/56/92/63/1030569263.db2.gz QIVAQOFXFNKXNM-UHFFFAOYSA-N -1 0 339.476 3.515 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)N[C@@H](CC)c1ccc(Cl)cc1 ZINC000583737392 1030583524 /nfs/dbraw/zinc/58/35/24/1030583524.db2.gz UHELCRQIHGQPOF-RISCZKNCSA-N -1 0 326.824 3.686 20 0 EHADRM CC[C@@H](NC(=O)N(CC(=O)[O-])[C@@H](C)CC)c1ccc(Cl)cc1 ZINC000583737393 1030583911 /nfs/dbraw/zinc/58/39/11/1030583911.db2.gz UHELCRQIHGQPOF-SMDDNHRTSA-N -1 0 326.824 3.686 20 0 EHADRM CN(C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])c1ccccc1 ZINC000193664312 1030600723 /nfs/dbraw/zinc/60/07/23/1030600723.db2.gz UCZJWDGDAQPXKF-UHFFFAOYSA-N -1 0 327.771 3.508 20 0 EHADRM C/C=C/C[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3)C(=O)[O-] ZINC000583746333 1030615269 /nfs/dbraw/zinc/61/52/69/1030615269.db2.gz LKHAVBOXNGSEBC-ZMUQKWFASA-N -1 0 340.423 3.586 20 0 EHADRM CCSc1n[n-]c(=NCc2cc(Br)ccc2F)s1 ZINC000447954295 1030622519 /nfs/dbraw/zinc/62/25/19/1030622519.db2.gz NDGNCZPLYRMRAD-UHFFFAOYSA-N -1 0 348.266 3.586 20 0 EHADRM CC(C)[C@@H](C)N(C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])C1CC1 ZINC000193912098 1030624541 /nfs/dbraw/zinc/62/45/41/1030624541.db2.gz KIEQJPBISPSEPY-GFCCVEGCSA-N -1 0 347.846 3.880 20 0 EHADRM CN(CCc1ccc(F)cc1)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000122357646 1030632373 /nfs/dbraw/zinc/63/23/73/1030632373.db2.gz ZBWBNUUWEFJOKT-UHFFFAOYSA-N -1 0 325.742 3.639 20 0 EHADRM COc1cc(Nc2ccc(C)c(C(=O)[O-])c2)cnc1Br ZINC001211596356 1030632767 /nfs/dbraw/zinc/63/27/67/1030632767.db2.gz DCBKUPPDZSECNB-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM CCSc1n[n-]c(=NCc2cccc(OCC(F)(F)F)c2)s1 ZINC000447964684 1030634762 /nfs/dbraw/zinc/63/47/62/1030634762.db2.gz NCNBMGFFQSVQKU-UHFFFAOYSA-N -1 0 349.403 3.625 20 0 EHADRM O=C(N=c1nc(-c2ccsc2)[n-]s1)NC/C=C/c1ccccc1 ZINC000448005649 1030662857 /nfs/dbraw/zinc/66/28/57/1030662857.db2.gz WIJJWJXCNYVWBF-QPJJXVBHSA-N -1 0 342.449 3.523 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)N=c2nc(-c3ccsc3)[n-]s2)cc1 ZINC000448016001 1030668868 /nfs/dbraw/zinc/66/88/68/1030668868.db2.gz WNRTWWGYVCSGME-NSHDSACASA-N -1 0 344.465 3.880 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1ccc(Br)o1 ZINC000170192529 1030684973 /nfs/dbraw/zinc/68/49/73/1030684973.db2.gz FSCCGZUYGCVOGF-UHFFFAOYSA-N -1 0 334.528 3.793 20 0 EHADRM Cn1[n-]c(C(=O)N(Cc2cccc3ccccc32)C2CCCC2)cc1=O ZINC000668114827 1030690434 /nfs/dbraw/zinc/69/04/34/1030690434.db2.gz GDCXHGSYKCEDFV-UHFFFAOYSA-N -1 0 349.434 3.864 20 0 EHADRM O=C(NCCSCc1ccccc1F)c1ccc([O-])c(Cl)c1 ZINC000060927286 1030710762 /nfs/dbraw/zinc/71/07/62/1030710762.db2.gz MIIDOEZCQRMNFK-UHFFFAOYSA-N -1 0 339.819 3.848 20 0 EHADRM O=S(=O)([N-]c1ccc2ncsc2c1)c1cc(F)c(F)cc1F ZINC000170933067 1030736220 /nfs/dbraw/zinc/73/62/20/1030736220.db2.gz KZTJXYGMKZYLBS-UHFFFAOYSA-N -1 0 344.339 3.514 20 0 EHADRM CCSc1ccc([C@@H](C)NC(=O)N=c2ccc(C3CC3)n[n-]2)cc1 ZINC000448159695 1030780824 /nfs/dbraw/zinc/78/08/24/1030780824.db2.gz ZOXIPVVBDBYMIM-GFCCVEGCSA-N -1 0 342.468 3.771 20 0 EHADRM Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000123002595 1030846516 /nfs/dbraw/zinc/84/65/16/1030846516.db2.gz QUYOYOUBLPUZAX-UHFFFAOYSA-N -1 0 344.798 3.955 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)C[C@H](C)C2CCCCC2)sc1C(=O)[O-] ZINC000237528808 1030887585 /nfs/dbraw/zinc/88/75/85/1030887585.db2.gz KUGNBDYBAORTKQ-CMPLNLGQSA-N -1 0 338.473 3.933 20 0 EHADRM O=C([O-])CCCCC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000261650366 1031011981 /nfs/dbraw/zinc/01/19/81/1031011981.db2.gz JPKZWRWXXKJWRU-UHFFFAOYSA-N -1 0 339.435 3.970 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c(C)c1 ZINC000551107817 1031040936 /nfs/dbraw/zinc/04/09/36/1031040936.db2.gz FVVBILKRHCFVKH-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM CCOc1cc([N-]S(=O)(=O)c2c(C)cc(C)cc2OC)ccc1C ZINC000551113567 1031044859 /nfs/dbraw/zinc/04/48/59/1031044859.db2.gz AXQWIMWDUSXADO-UHFFFAOYSA-N -1 0 349.452 3.820 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)N(C2CC2)C2CCCC2)cc1 ZINC000173152487 1031052689 /nfs/dbraw/zinc/05/26/89/1031052689.db2.gz ZXRBNSDGDJVGPQ-HSZRJFAPSA-N -1 0 333.497 3.851 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)c2nc3ccccc3cc2Cl)s1 ZINC000583901073 1031081567 /nfs/dbraw/zinc/08/15/67/1031081567.db2.gz LIALWVQTTISSQR-UHFFFAOYSA-N -1 0 346.843 3.711 20 0 EHADRM CC(C)Cc1ccc(S(=O)(=O)[N-]c2nc(C(C)(C)C)co2)cc1 ZINC000551179786 1031099724 /nfs/dbraw/zinc/09/97/24/1031099724.db2.gz IEFYQESKZNVPGP-UHFFFAOYSA-N -1 0 336.457 3.971 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)N[C@H](C)c1ccccc1C(F)(F)F ZINC000572601059 1031156355 /nfs/dbraw/zinc/15/63/55/1031156355.db2.gz ICCXHRAIXCANTP-WDEREUQCSA-N -1 0 346.349 3.661 20 0 EHADRM Cc1cc(N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)ncc1Br ZINC000650776304 1031252471 /nfs/dbraw/zinc/25/24/71/1031252471.db2.gz UAJAECFIQSDXJS-OCCSQVGLSA-N -1 0 347.212 3.878 20 0 EHADRM COc1ccc(Br)c(/C=C\c2cc(C(=O)[O-])ccn2)c1 ZINC000551347858 1031253189 /nfs/dbraw/zinc/25/31/89/1031253189.db2.gz FMBIAJWBEDVLFY-IHWYPQMZSA-N -1 0 334.169 3.721 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@H](c2ccccc2C)C(C)C)s1 ZINC000483637600 1031262126 /nfs/dbraw/zinc/26/21/26/1031262126.db2.gz YRUXNHWDMMTSDW-HNNXBMFYSA-N -1 0 332.473 3.740 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N2CC[C@@H](C)[C@@H]2C)s1)c1ccccc1 ZINC000483655066 1031274815 /nfs/dbraw/zinc/27/48/15/1031274815.db2.gz CVUUBDNXVQSTIP-VNHYZAJKSA-N -1 0 344.484 3.764 20 0 EHADRM CC(C)CCn1nccc1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000551385183 1031278890 /nfs/dbraw/zinc/27/88/90/1031278890.db2.gz ISUXKYWLGRUGJH-UHFFFAOYSA-N -1 0 345.827 3.523 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nc(C(C)(C)C)cs2)c(C)s1 ZINC000483723805 1031298941 /nfs/dbraw/zinc/29/89/41/1031298941.db2.gz MBBMOJMUEPCGKW-UHFFFAOYSA-N -1 0 330.500 3.920 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)Cc1cccc(C2CC2)c1 ZINC000668278333 1031380034 /nfs/dbraw/zinc/38/00/34/1031380034.db2.gz CAXZKROXNBQLIT-IBGZPJMESA-N -1 0 337.419 3.747 20 0 EHADRM C[C@@H](CC(=O)N(C)[C@@H](C)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000584006095 1031396067 /nfs/dbraw/zinc/39/60/67/1031396067.db2.gz YRBQFIYFUKAOEC-QWRGUYRKSA-N -1 0 331.334 3.521 20 0 EHADRM O=C(c1nn(-c2ccc(F)cc2)cc1[O-])N1CCC[C@@H]1C1CCCC1 ZINC000176277937 1031419170 /nfs/dbraw/zinc/41/91/70/1031419170.db2.gz YKOPONYQMUKRNT-MRXNPFEDSA-N -1 0 343.402 3.512 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N[C@H]2CCCc3ccc(F)cc32)cc1 ZINC000668301156 1031428759 /nfs/dbraw/zinc/42/87/59/1031428759.db2.gz FGKLUVSCQCRCSV-SFHVURJKSA-N -1 0 341.382 3.650 20 0 EHADRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)c1C ZINC000151415874 1031429386 /nfs/dbraw/zinc/42/93/86/1031429386.db2.gz NLVBBPZCPIFUAA-UHFFFAOYSA-N -1 0 335.816 3.634 20 0 EHADRM COCc1ccccc1S(=O)(=O)[N-]c1csc2ccccc12 ZINC000484099324 1031453428 /nfs/dbraw/zinc/45/34/28/1031453428.db2.gz CFFFWOPIQYGNPJ-UHFFFAOYSA-N -1 0 333.434 3.849 20 0 EHADRM CC(C)(CCC(=O)N=c1ccc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000484130498 1031461568 /nfs/dbraw/zinc/46/15/68/1031461568.db2.gz LUXVTNNLCLQEDF-UHFFFAOYSA-N -1 0 337.345 3.614 20 0 EHADRM CCS[C@H]1CC[C@H](N(C)C(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000163450565 1031467524 /nfs/dbraw/zinc/46/75/24/1031467524.db2.gz PTEMUOWNSUXUHA-QWRGUYRKSA-N -1 0 331.840 3.931 20 0 EHADRM CC[C@H](C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl)[C@@H](C)O ZINC000477390061 1031519216 /nfs/dbraw/zinc/51/92/16/1031519216.db2.gz CQHZZMWRLKCYGI-RITPCOANSA-N -1 0 326.607 3.698 20 0 EHADRM C[C@@H](Cc1ccc(NCc2c(Cl)nc(Cl)n2C)cc1)C(=O)[O-] ZINC000904015450 1031603037 /nfs/dbraw/zinc/60/30/37/1031603037.db2.gz OIDMPIVOBNQVIM-VIFPVBQESA-N -1 0 342.226 3.602 20 0 EHADRM Cc1c(C(=O)Nc2cccc(O)c2F)cnn1-c1ccc(C)cc1 ZINC000551761412 1031627442 /nfs/dbraw/zinc/62/74/42/1031627442.db2.gz SJLPWVXZTZYDQK-UHFFFAOYSA-N -1 0 325.343 3.586 20 0 EHADRM CC(C)(C)c1coc(CN[C@@H](CC(=O)[O-])c2ccccc2Cl)n1 ZINC000904030664 1031637078 /nfs/dbraw/zinc/63/70/78/1031637078.db2.gz LFTUKMFIAVKLDY-ZDUSSCGKSA-N -1 0 336.819 3.931 20 0 EHADRM CCc1ncc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2Cl)s1 ZINC000904026434 1031669933 /nfs/dbraw/zinc/66/99/33/1031669933.db2.gz UECSSRGSMBKZRD-ZDUSSCGKSA-N -1 0 345.251 3.928 20 0 EHADRM Cc1cccc(C)c1C[C@H](NCc1ncc(C(C)(C)C)s1)C(=O)[O-] ZINC000904071710 1031697799 /nfs/dbraw/zinc/69/77/99/1031697799.db2.gz HGOFCEJFLLPKFB-HNNXBMFYSA-N -1 0 346.496 3.843 20 0 EHADRM C[C@H](N=c1[n-]nc(-c2cc(Cl)cc(Cl)c2)s1)[C@@H]1CCOC1 ZINC000584132532 1031782318 /nfs/dbraw/zinc/78/23/18/1031782318.db2.gz FFFUSSAQKQZZDX-DTWKUNHWSA-N -1 0 344.267 3.771 20 0 EHADRM CC(C)c1nc2cc(N[C@H]3C[C@@H](NC(=O)[O-])C34CCC4)ccc2o1 ZINC000904210880 1031834051 /nfs/dbraw/zinc/83/40/51/1031834051.db2.gz AINGSXCIQZBVRX-LSDHHAIUSA-N -1 0 329.400 3.942 20 0 EHADRM Cc1ccc(NC(=O)C(C)C)cc1N[C@H]1C[C@@H](NC(=O)[O-])C12CCC2 ZINC000904194728 1031842000 /nfs/dbraw/zinc/84/20/00/1031842000.db2.gz DNQLLPOJGBTJOO-JKSUJKDBSA-N -1 0 345.443 3.580 20 0 EHADRM O=C([O-])N[C@@H]1C[C@H](Nc2ccc(OCC(F)(F)F)cc2)C12CCC2 ZINC000904195186 1031843554 /nfs/dbraw/zinc/84/35/54/1031843554.db2.gz QZRHRTBCCDDFTM-QWHCGFSZSA-N -1 0 344.333 3.618 20 0 EHADRM O=C([O-])N[C@H]1C[C@H](Nc2cccc(SC(F)F)c2)C12CCC2 ZINC000904200580 1031847973 /nfs/dbraw/zinc/84/79/73/1031847973.db2.gz UCBNJZFPQWHJRL-RYUDHWBXSA-N -1 0 328.384 3.992 20 0 EHADRM O=C([O-])c1sc2ccsc2c1CNC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000568617793 1031855263 /nfs/dbraw/zinc/85/52/63/1031855263.db2.gz WNJROOPQWUMWMW-AEJSXWLSSA-N -1 0 335.450 3.713 20 0 EHADRM Cc1cc(N(C)C)cc(C)c1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000180186936 1031864115 /nfs/dbraw/zinc/86/41/15/1031864115.db2.gz JTOXNAXYVHTFIP-UHFFFAOYSA-N -1 0 338.329 3.745 20 0 EHADRM O=C([O-])N[C@H]1C[C@@H](Nc2ccc3c(c2)OC2(CCCC2)O3)C12CCC2 ZINC000904229519 1031866789 /nfs/dbraw/zinc/86/67/89/1031866789.db2.gz JEHDKKSDAMXNLQ-CVEARBPZSA-N -1 0 344.411 3.719 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(C(C)C)C3)c(F)c1 ZINC000180714510 1031900377 /nfs/dbraw/zinc/90/03/77/1031900377.db2.gz DDWFKPRLGONQFS-UHFFFAOYSA-N -1 0 348.443 3.659 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2cncc3ccccc32)cc1C ZINC000533939252 1031993135 /nfs/dbraw/zinc/99/31/35/1031993135.db2.gz IDRFRZDHJFQLTJ-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2cc(Cl)c(Cl)cc2F)C1 ZINC000263125090 1033312894 /nfs/dbraw/zinc/31/28/94/1033312894.db2.gz MLOYQFCZBRXFAR-SFYZADRCSA-N -1 0 349.189 3.707 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CC[C@@H](c2ccccc2)C[C@@H]1C ZINC000455868561 1033340526 /nfs/dbraw/zinc/34/05/26/1033340526.db2.gz VVPFVGUYNOHEQI-GOEBONIOSA-N -1 0 341.407 3.623 20 0 EHADRM CC[C@@H]1CCc2c(sc3nc(-c4nccc(C)n4)[n-]c(=O)c32)C1 ZINC000278779041 1033347180 /nfs/dbraw/zinc/34/71/80/1033347180.db2.gz OERUZEXGRMONBY-SNVBAGLBSA-N -1 0 326.425 3.677 20 0 EHADRM O=C([O-])[C@@H]1CCCN1c1cc(C(F)F)nc2ccc(Cl)cc21 ZINC000263415522 1033384099 /nfs/dbraw/zinc/38/40/99/1033384099.db2.gz NSPHDSVXDNPXLA-LBPRGKRZSA-N -1 0 326.730 3.879 20 0 EHADRM CC(C)c1ccc(CN=c2[n-]nc([C@H]3Cc4ccccc4O3)o2)cc1 ZINC000537490411 1033389793 /nfs/dbraw/zinc/38/97/93/1033389793.db2.gz ITTSHBCNLMMANI-GOSISDBHSA-N -1 0 335.407 3.903 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2ccccc2SC(F)F)CC1 ZINC000171789696 1033431205 /nfs/dbraw/zinc/43/12/05/1033431205.db2.gz IXMIJNYIZHXKDA-UHFFFAOYSA-N -1 0 329.368 3.831 20 0 EHADRM CC(C)(C)c1ccc([C@@H]([N-]S(=O)(=O)C2CC2)C(F)(F)F)cc1 ZINC000608021816 1033442284 /nfs/dbraw/zinc/44/22/84/1033442284.db2.gz RMPMTZSQAQDZTA-CYBMUJFWSA-N -1 0 335.391 3.669 20 0 EHADRM Cc1ccc2nc(NC(=O)c3cc(C)cc(C=O)c3[O-])sc2c1 ZINC001143601655 1033446195 /nfs/dbraw/zinc/44/61/95/1033446195.db2.gz XXPPDRGVXNEOAD-UHFFFAOYSA-N -1 0 326.377 3.684 20 0 EHADRM CCCc1ccc(NC(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)cc1 ZINC000173657651 1033468503 /nfs/dbraw/zinc/46/85/03/1033468503.db2.gz ZKYRVDNEHHQEBS-UHFFFAOYSA-N -1 0 335.407 3.679 20 0 EHADRM CCOCCCc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000608102850 1033496562 /nfs/dbraw/zinc/49/65/62/1033496562.db2.gz DWEBKMQXXSQDPI-UHFFFAOYSA-N -1 0 332.400 3.760 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2ncc(C(C)C)s2)c(C)c1 ZINC000608258337 1033554723 /nfs/dbraw/zinc/55/47/23/1033554723.db2.gz BCCXXMRNFLAFMK-UHFFFAOYSA-N -1 0 340.470 3.693 20 0 EHADRM CCC(=O)C1(C(=O)Nc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000450046085 1033655677 /nfs/dbraw/zinc/65/56/77/1033655677.db2.gz QXRVSINPCAHOKH-UHFFFAOYSA-N -1 0 346.608 3.506 20 0 EHADRM CC[C@@H](C)c1n[n-]c(=Nc2c(C)n[nH]c2C)n1CCc1ccccc1 ZINC000460418541 1033749201 /nfs/dbraw/zinc/74/92/01/1033749201.db2.gz GETVZBZPUOULMP-CYBMUJFWSA-N -1 0 338.459 3.540 20 0 EHADRM CCC[C@H](CCCCNS(=O)(=O)CC1(C)CCCCC1)C(=O)[O-] ZINC000574955519 1033762502 /nfs/dbraw/zinc/76/25/02/1033762502.db2.gz JUERHOSJSATJOM-OAHLLOKOSA-N -1 0 347.521 3.547 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2ccnc(OC3CCCCC3)c2)c1 ZINC000575070806 1033776096 /nfs/dbraw/zinc/77/60/96/1033776096.db2.gz VALCTDFOYKYERU-UHFFFAOYSA-N -1 0 346.408 3.805 20 0 EHADRM O=C(c1nn(-c2ccc(Cl)cc2)cc1[O-])N1CCCCCCC1 ZINC000176952296 1033820885 /nfs/dbraw/zinc/82/08/85/1033820885.db2.gz QVARXWMXKUXSHF-UHFFFAOYSA-N -1 0 333.819 3.638 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)C2CCC(C(F)(F)F)CC2)c1 ZINC000322599351 1033882026 /nfs/dbraw/zinc/88/20/26/1033882026.db2.gz WSLMEFHLALKNIT-UHFFFAOYSA-N -1 0 333.281 3.831 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1-n1nc(-c2ccncc2)c2cc(N)ccc21 ZINC001211628627 1033883397 /nfs/dbraw/zinc/88/33/97/1033883397.db2.gz DXPQETGHQPMCFN-UHFFFAOYSA-N -1 0 344.374 3.676 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000055150504 1033929448 /nfs/dbraw/zinc/92/94/48/1033929448.db2.gz XIYPAKPGTAXQNY-UHFFFAOYSA-N -1 0 327.808 3.958 20 0 EHADRM COC(=O)c1ccc(=N[C@@H](c2ccc(C(C)C)cc2)C(C)C)[n-]n1 ZINC000603840466 1033952971 /nfs/dbraw/zinc/95/29/71/1033952971.db2.gz GOHQZBJSDLXIJY-GOSISDBHSA-N -1 0 327.428 3.618 20 0 EHADRM Cc1cc([C@H](C)NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)c(C)s1 ZINC000642194889 1034047003 /nfs/dbraw/zinc/04/70/03/1034047003.db2.gz BWWOWXJJFQETHF-BLLLJJGKSA-N -1 0 331.437 3.801 20 0 EHADRM CCO[C@H](C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1)c1ccccc1 ZINC000255680982 1034153408 /nfs/dbraw/zinc/15/34/08/1034153408.db2.gz MYIKTPAWNAAROH-GFBZKKKVSA-N -1 0 325.364 3.501 20 0 EHADRM Cc1ccoc1C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000534206251 1034233782 /nfs/dbraw/zinc/23/37/82/1034233782.db2.gz AGPKDHLWYODRMS-UHFFFAOYSA-N -1 0 330.565 3.962 20 0 EHADRM CC1(C)CCC[C@H](C(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)C1 ZINC000179392151 1034275667 /nfs/dbraw/zinc/27/56/67/1034275667.db2.gz ZFNHIQIFZHDDJB-INIZCTEOSA-N -1 0 347.480 3.636 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)c2nc3ccccc3s2)s1 ZINC000534306297 1034369123 /nfs/dbraw/zinc/36/91/23/1034369123.db2.gz YIFRBJQXIMDQIM-UHFFFAOYSA-N -1 0 332.454 3.555 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cnc1Cl ZINC000228019781 1034428438 /nfs/dbraw/zinc/42/84/38/1034428438.db2.gz QPNWYGZUCJCYKQ-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000604708361 1034462269 /nfs/dbraw/zinc/46/22/69/1034462269.db2.gz LCQWXXSCHONDQF-KBPBESRZSA-N -1 0 347.340 3.537 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)Cc1ccccc1C(=O)[O-] ZINC000450529764 1034485809 /nfs/dbraw/zinc/48/58/09/1034485809.db2.gz AEFHUWPDJUWYDY-WBVHZDCISA-N -1 0 337.419 3.722 20 0 EHADRM CCOc1ccc([C@H](C)Nc2ccc(C(=O)[O-])cn2)cc1OCC ZINC000647445903 1034569052 /nfs/dbraw/zinc/56/90/52/1034569052.db2.gz UWBQPCRQODZVFR-LBPRGKRZSA-N -1 0 330.384 3.750 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)C=Cc2ccccc2F)c1 ZINC000060497662 1034627806 /nfs/dbraw/zinc/62/78/06/1034627806.db2.gz NDDTVENAKZHSLE-MDZDMXLPSA-N -1 0 333.384 3.801 20 0 EHADRM CCc1sc(C(=O)[N-]S(=O)(=O)c2cc(C)ccc2C)cc1C ZINC000060497665 1034628313 /nfs/dbraw/zinc/62/83/13/1034628313.db2.gz ZRLIYLNRZVFLKD-UHFFFAOYSA-N -1 0 337.466 3.929 20 0 EHADRM C[C@@H](S[C@H](C)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)[O-] ZINC000601983908 1034847862 /nfs/dbraw/zinc/84/78/62/1034847862.db2.gz QWCVMSRRCIWELN-VXGBXAGGSA-N -1 0 341.432 3.791 20 0 EHADRM CSCc1ccc(NC(=O)[C@](C)(CC(=O)[O-])c2ccsc2)cc1 ZINC000601986974 1034849232 /nfs/dbraw/zinc/84/92/32/1034849232.db2.gz WASRQAWIKDLYJS-QGZVFWFLSA-N -1 0 349.477 3.982 20 0 EHADRM Cc1nocc1S(=O)(=O)[N-]c1cccc(CSC(C)C)c1C ZINC000601977006 1034855307 /nfs/dbraw/zinc/85/53/07/1034855307.db2.gz HXJGGIFZLMAKJD-UHFFFAOYSA-N -1 0 340.470 3.734 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)NC(C)(C)c1ccc2ccccc2c1 ZINC000602008355 1034857440 /nfs/dbraw/zinc/85/74/40/1034857440.db2.gz KOUHKXRDSZSFHZ-OLZOCXBDSA-N -1 0 345.464 3.786 20 0 EHADRM CCc1nc2cc(S(=O)(=O)[N-]c3ncccc3C(C)C)ccc2o1 ZINC000543859796 1034859002 /nfs/dbraw/zinc/85/90/02/1034859002.db2.gz ANMMAPIFCVIHFH-UHFFFAOYSA-N -1 0 345.424 3.709 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)c1C ZINC000606149915 1034874267 /nfs/dbraw/zinc/87/42/67/1034874267.db2.gz SNIQIUUVUMPMAW-MAUKXSAKSA-N -1 0 325.408 3.739 20 0 EHADRM CC[C@H](NC(=O)C[C@@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000606149642 1034875894 /nfs/dbraw/zinc/87/58/94/1034875894.db2.gz PIDLGBYPBNOFIN-WBVHZDCISA-N -1 0 347.361 3.791 20 0 EHADRM O=c1[n-]nc([C@@H]2CCCN(Cc3cc(Cl)sc3Cl)C2)o1 ZINC000450907344 1034929929 /nfs/dbraw/zinc/92/99/29/1034929929.db2.gz QBRMNBAQZFMGIQ-SSDOTTSWSA-N -1 0 334.228 3.523 20 0 EHADRM CC1(C)CC(=O)c2cc(NC(=O)c3c(F)ccc([O-])c3F)ccc2O1 ZINC000375925751 1034936450 /nfs/dbraw/zinc/93/64/50/1034936450.db2.gz YZZFKGWBFDBBEV-UHFFFAOYSA-N -1 0 347.317 3.667 20 0 EHADRM CC(C)(CNC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1)C(F)(F)F ZINC000548932867 1034962807 /nfs/dbraw/zinc/96/28/07/1034962807.db2.gz ZQCDESSCVFDEPS-OAHLLOKOSA-N -1 0 337.382 3.752 20 0 EHADRM O=S(=O)(Cc1c(F)cccc1Cl)[N-]c1nc(C2CC2)cs1 ZINC000450971616 1034998719 /nfs/dbraw/zinc/99/87/19/1034998719.db2.gz PWUFXXHWVNMTPC-UHFFFAOYSA-N -1 0 346.836 3.755 20 0 EHADRM CC[C@@H](Cc1ccc(NS(=O)(=O)CC(C)(C)CC)cc1)C(=O)[O-] ZINC000530136527 1035013078 /nfs/dbraw/zinc/01/30/78/1035013078.db2.gz HQPNRVXPGDYQAY-AWEZNQCLSA-N -1 0 341.473 3.518 20 0 EHADRM CC(=O)c1c(C)cc(C)c(CN2CCc3occc3[C@H]2C(=O)[O-])c1C ZINC000530167755 1035015379 /nfs/dbraw/zinc/01/53/79/1035015379.db2.gz CTJXPKHCBFLTFY-IBGZPJMESA-N -1 0 341.407 3.591 20 0 EHADRM Cc1csc(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)c1 ZINC000450999935 1035022101 /nfs/dbraw/zinc/02/21/01/1035022101.db2.gz OFMRYEZMFCEBLC-UHFFFAOYSA-N -1 0 335.454 3.788 20 0 EHADRM O=S(=O)([N-]c1cc(F)ccc1OCC1CC1)c1sccc1F ZINC000451041715 1035041147 /nfs/dbraw/zinc/04/11/47/1035041147.db2.gz OOTUUSTXRRMPPO-UHFFFAOYSA-N -1 0 345.392 3.616 20 0 EHADRM CCCCn1ncc([N-]S(=O)(=O)c2cccc3ccoc32)c1C ZINC000451025186 1035042907 /nfs/dbraw/zinc/04/29/07/1035042907.db2.gz PTPLFUPMCDFLMX-UHFFFAOYSA-N -1 0 333.413 3.539 20 0 EHADRM Cc1cc(Cl)cc(C(=O)Nc2ccc3c(ccn3CC(=O)[O-])c2)c1 ZINC000431678713 1035205328 /nfs/dbraw/zinc/20/53/28/1035205328.db2.gz LTAKPXAIBLJPAG-UHFFFAOYSA-N -1 0 342.782 3.940 20 0 EHADRM Cc1ccnc(Cl)c1NS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000235822890 1035206086 /nfs/dbraw/zinc/20/60/86/1035206086.db2.gz RUNVSQIHFIITDP-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H]1C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000317015842 1035239720 /nfs/dbraw/zinc/23/97/20/1035239720.db2.gz BQYHOUSGCZUHGN-BDAKNGLRSA-N -1 0 335.709 3.798 20 0 EHADRM CCCCCN([C@H](C)CCC)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000570470243 1035275170 /nfs/dbraw/zinc/27/51/70/1035275170.db2.gz BVRNKZYGYZHCON-GFCCVEGCSA-N -1 0 347.502 3.816 20 0 EHADRM CSc1cccc(S(=O)(=O)[N-]c2cccc3c2OC(C)(C)C3)c1 ZINC000548977875 1035362477 /nfs/dbraw/zinc/36/24/77/1035362477.db2.gz LRQSRNUCOMAIFA-UHFFFAOYSA-N -1 0 349.477 3.923 20 0 EHADRM CCS(=O)(=O)c1ccc([O-])c(NC(=O)C[C@@H](C)CC(C)(C)C)c1 ZINC000613179412 1035443488 /nfs/dbraw/zinc/44/34/88/1035443488.db2.gz BRQSCARWNZJOGF-GFCCVEGCSA-N -1 0 341.473 3.587 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)NC[C@H]1CCCC1(F)F)C1CCCCC1 ZINC000414093406 1035482033 /nfs/dbraw/zinc/48/20/33/1035482033.db2.gz NXCXSECLELGMBN-CZUORRHYSA-N -1 0 331.403 3.599 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cncc(-c2cccc(C)c2)c1 ZINC000431784523 1035485394 /nfs/dbraw/zinc/48/53/94/1035485394.db2.gz XYQQGCPIZYHWIT-UHFFFAOYSA-N -1 0 340.423 3.820 20 0 EHADRM CC(C)(C)C(=O)Nc1ccc(-c2nc(C(=O)[O-])c(C3CC3)s2)cn1 ZINC000571537400 1035551721 /nfs/dbraw/zinc/55/17/21/1035551721.db2.gz IIHZYEOWXBCEQV-UHFFFAOYSA-N -1 0 345.424 3.765 20 0 EHADRM CCO[C@@H](CC)c1noc(-c2ccc(Br)cc2[O-])n1 ZINC000157373477 1035604567 /nfs/dbraw/zinc/60/45/67/1035604567.db2.gz WZZPSLQAEQQNPF-NSHDSACASA-N -1 0 327.178 3.692 20 0 EHADRM CCCCc1ccc([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)cc1 ZINC000055549459 1035607552 /nfs/dbraw/zinc/60/75/52/1035607552.db2.gz CCAOBQQMZSWDKK-UHFFFAOYSA-N -1 0 341.864 3.525 20 0 EHADRM COc1ccnc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)c1 ZINC000534792951 1035608825 /nfs/dbraw/zinc/60/88/25/1035608825.db2.gz GOKPVANTVDTQCH-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM CC(C)(C)C[C@@H]1CCN(C(=O)c2nn(-c3cccc(F)c3)cc2[O-])C1 ZINC000457007737 1035637256 /nfs/dbraw/zinc/63/72/56/1035637256.db2.gz FASHNSGIAIFJNL-ZDUSSCGKSA-N -1 0 345.418 3.615 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)/C=C\c2cc3ccccc3o2)CC1 ZINC000492348283 1035678136 /nfs/dbraw/zinc/67/81/36/1035678136.db2.gz LMVNBCOKLSCASV-SREVYHEPSA-N -1 0 327.380 3.549 20 0 EHADRM C[C@H]1C[C@@H](c2cccnc2)N(C(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000186836853 1035727604 /nfs/dbraw/zinc/72/76/04/1035727604.db2.gz FIDRDIQPLSHVKU-BONVTDFDSA-N -1 0 334.778 3.803 20 0 EHADRM FC(F)(F)Oc1ccccc1CN=c1[n-]c(-c2ccccc2)no1 ZINC000588160198 1035732533 /nfs/dbraw/zinc/73/25/33/1035732533.db2.gz OGLJTGKAVJMMDV-UHFFFAOYSA-N -1 0 335.285 3.669 20 0 EHADRM Cc1cc(NC(=O)c2cc(F)c([O-])c(F)c2)nn1-c1cccc(F)c1 ZINC000186988039 1035759552 /nfs/dbraw/zinc/75/95/52/1035759552.db2.gz NVFDXBVWYBABHV-UHFFFAOYSA-N -1 0 347.296 3.556 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2ncc(C(C)C)s2)cc1 ZINC000174011580 1035833423 /nfs/dbraw/zinc/83/34/23/1035833423.db2.gz LZZYMOFCVFDVMJ-UHFFFAOYSA-N -1 0 328.484 3.789 20 0 EHADRM O=C(N=c1nc(Cc2ccccc2)[n-]s1)c1cccc(F)c1Cl ZINC000463781258 1035847801 /nfs/dbraw/zinc/84/78/01/1035847801.db2.gz GRSFOCNQDOPIQH-UHFFFAOYSA-N -1 0 347.802 3.596 20 0 EHADRM CC1(C)C[C@@H](CNC(=O)c2c([O-])cc(Cl)cc2Cl)CCO1 ZINC000457223140 1035881860 /nfs/dbraw/zinc/88/18/60/1035881860.db2.gz XUASQNQJAQFLIJ-VIFPVBQESA-N -1 0 332.227 3.634 20 0 EHADRM Cc1cnc(CSc2n[n-]c(=Nc3cccc(C)c3C)s2)nc1 ZINC000572036287 1035951412 /nfs/dbraw/zinc/95/14/12/1035951412.db2.gz QMBVIVDCSCDGOD-UHFFFAOYSA-N -1 0 343.481 3.711 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000646463486 1036022188 /nfs/dbraw/zinc/02/21/88/1036022188.db2.gz RFFLQNHNYIVFEJ-ZDUSSCGKSA-N -1 0 343.427 3.849 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1O ZINC000174739271 1036061523 /nfs/dbraw/zinc/06/15/23/1036061523.db2.gz TYWDBXGYEUXRIP-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM COc1cccc([C@@H](C)N=c2[n-]nc(Cc3ccccc3)s2)c1 ZINC000541349578 1036226922 /nfs/dbraw/zinc/22/69/22/1036226922.db2.gz QBRKTJAGMFDVIL-CYBMUJFWSA-N -1 0 325.437 3.733 20 0 EHADRM CC[C@H](CC(F)F)C(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000457572035 1036297512 /nfs/dbraw/zinc/29/75/12/1036297512.db2.gz ZKZCTMKHCJSRIL-MRVPVSSYSA-N -1 0 345.802 3.900 20 0 EHADRM CC(C)C[C@H](C)n1nccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000589271425 1036335139 /nfs/dbraw/zinc/33/51/39/1036335139.db2.gz QCFNBKOPPYGMMK-LBPRGKRZSA-N -1 0 341.864 3.944 20 0 EHADRM CC(C)CN=c1[n-]nc(SCc2ccc3ncccc3c2)s1 ZINC000545314840 1036389461 /nfs/dbraw/zinc/38/94/61/1036389461.db2.gz KFLMYRXXHSSSRR-UHFFFAOYSA-N -1 0 330.482 3.868 20 0 EHADRM CCCOc1cccc([N-]S(=O)(=O)c2cc(C)cc(C)c2OC)c1 ZINC000509089435 1036420447 /nfs/dbraw/zinc/42/04/47/1036420447.db2.gz LNKCBPPUJDWWPN-UHFFFAOYSA-N -1 0 349.452 3.902 20 0 EHADRM Cc1nc(=NC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)s[n-]1 ZINC000464429011 1036432117 /nfs/dbraw/zinc/43/21/17/1036432117.db2.gz MMQAMAMPZFREGV-LLVKDONJSA-N -1 0 335.498 3.733 20 0 EHADRM Cc1nc(=NC(=O)CSc2cccc3cccc(Cl)c32)s[n-]1 ZINC000464433064 1036435040 /nfs/dbraw/zinc/43/50/40/1036435040.db2.gz YWAKMXHFCKNDKW-UHFFFAOYSA-N -1 0 349.868 3.806 20 0 EHADRM CCn1cc(-c2cc(F)ccc2OCC(F)(F)F)cc1C(=O)[O-] ZINC000572662947 1036452865 /nfs/dbraw/zinc/45/28/65/1036452865.db2.gz ASZBLDAEDGFUOP-UHFFFAOYSA-N -1 0 331.265 3.953 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2F)on1 ZINC000175648316 1036474979 /nfs/dbraw/zinc/47/49/79/1036474979.db2.gz MINRVXMWSVALHK-UHFFFAOYSA-N -1 0 332.784 3.565 20 0 EHADRM Cc1nn(C)c(Cl)c1/C=C/c1nc2ccc(C(=O)[O-])cc2s1 ZINC000761485825 1036518467 /nfs/dbraw/zinc/51/84/67/1036518467.db2.gz JFNDXXZXHPPLIM-GQCTYLIASA-N -1 0 333.800 3.860 20 0 EHADRM O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1cc(F)c(F)c([O-])c1F ZINC000541640062 1036532583 /nfs/dbraw/zinc/53/25/83/1036532583.db2.gz ZWHKABGPHAUIKV-GARJFASQSA-N -1 0 327.346 3.898 20 0 EHADRM CC(C)(C)c1ccc(CCC(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000013317152 1036599967 /nfs/dbraw/zinc/59/99/67/1036599967.db2.gz GPCORLBEDRREEM-UHFFFAOYSA-N -1 0 339.435 3.931 20 0 EHADRM CSc1ccc(NC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1Cl ZINC000263200425 1036627454 /nfs/dbraw/zinc/62/74/54/1036627454.db2.gz XEYSQIDKTPEYCF-UWVGGRQHSA-N -1 0 342.848 3.636 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC000263208882 1036632307 /nfs/dbraw/zinc/63/23/07/1036632307.db2.gz LELCKHWQUHUTRG-CYBMUJFWSA-N -1 0 349.427 3.947 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2nccc3cc(C(F)(F)F)ccc32)C1 ZINC000263218999 1036643112 /nfs/dbraw/zinc/64/31/12/1036643112.db2.gz ORFXYAXMXWBLIC-ZYHUDNBSSA-N -1 0 338.329 3.801 20 0 EHADRM O=C(N=c1nc(-c2cccc(Cl)c2)[n-]s1)N[C@H]1C=CCCC1 ZINC000541798604 1036653866 /nfs/dbraw/zinc/65/38/66/1036653866.db2.gz MUWCISYMKOZQGB-LBPRGKRZSA-N -1 0 334.832 3.511 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](NC(=O)C(=O)[O-])[C@@H](Cc2ccc(Cl)cc2)C1 ZINC000462274554 1036757889 /nfs/dbraw/zinc/75/78/89/1036757889.db2.gz DVTIFHYXGJZVKF-IJEWVQPXSA-N -1 0 337.847 3.524 20 0 EHADRM O=C([O-])C/C(=C/c1cncnc1)c1nc2cc(Cl)ccc2s1 ZINC000541896596 1036779938 /nfs/dbraw/zinc/77/99/38/1036779938.db2.gz RWODBYPXAFEQSD-KMKOMSMNSA-N -1 0 331.784 3.755 20 0 EHADRM Cc1ccc([C@H]2CCCCN2C(=O)c2ccc(C(=O)[O-])c(C)n2)cc1 ZINC000263351755 1036802116 /nfs/dbraw/zinc/80/21/16/1036802116.db2.gz PXBSEXRZJROEBF-GOSISDBHSA-N -1 0 338.407 3.764 20 0 EHADRM C[C@@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1cc(Cl)ccc1Cl ZINC000263357501 1036805401 /nfs/dbraw/zinc/80/54/01/1036805401.db2.gz XLJCJFDWMVATQG-BBBLOLIVSA-N -1 0 330.211 3.672 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@H]2SCCc3sccc32)c1 ZINC000263364086 1036820045 /nfs/dbraw/zinc/82/00/45/1036820045.db2.gz ZGBGSCVPOHVYBH-BMIGLBTASA-N -1 0 347.461 3.905 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)[N-]OCc1cccnc1 ZINC000152470513 1036833171 /nfs/dbraw/zinc/83/31/71/1036833171.db2.gz WGIUZUFNMFKBLE-HNNXBMFYSA-N -1 0 328.412 3.529 20 0 EHADRM O=S(=O)([N-]c1ccc(OC(F)F)cc1)c1ccccc1Cl ZINC000006328597 1036841257 /nfs/dbraw/zinc/84/12/57/1036841257.db2.gz HTHLCBGLCJQLST-UHFFFAOYSA-N -1 0 333.743 3.742 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N(C)Cc2ccc(C)s2)s1 ZINC000590321984 1036846252 /nfs/dbraw/zinc/84/62/52/1036846252.db2.gz JFAQJYNWKVTGJG-UHFFFAOYSA-N -1 0 338.502 3.727 20 0 EHADRM Cc1cccc([C@@H]2CCCCCN2C(=O)c2cc(C(=O)[O-])ccn2)c1 ZINC000263416003 1036882077 /nfs/dbraw/zinc/88/20/77/1036882077.db2.gz NYEZVTVIBGYXTD-SFHVURJKSA-N -1 0 338.407 3.846 20 0 EHADRM C[C@H](NC(=O)c1ccccc1SCc1cccs1)[C@H](C)C(=O)[O-] ZINC000263433382 1036907341 /nfs/dbraw/zinc/90/73/41/1036907341.db2.gz LBNLMKVJUOHVQL-RYUDHWBXSA-N -1 0 349.477 3.879 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1ccccc1N1CCCCCC1 ZINC000263462498 1036940779 /nfs/dbraw/zinc/94/07/79/1036940779.db2.gz FCSDGAAKQCRDMA-UHFFFAOYSA-N -1 0 347.459 3.832 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C[C@@H]1CCc2ccccc2C1)C1CCCCC1 ZINC000539605427 1036967778 /nfs/dbraw/zinc/96/77/78/1036967778.db2.gz TXIGAIKQMMSNLL-BEFAXECRSA-N -1 0 343.467 3.721 20 0 EHADRM Cc1ccccc1SCC(=O)N[C@H](CC(=O)[O-])C1CCCCC1 ZINC000539613051 1036976468 /nfs/dbraw/zinc/97/64/68/1036976468.db2.gz ISWLCKLHVOHVHC-OAHLLOKOSA-N -1 0 335.469 3.627 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)CCSc1ccc(Cl)cc1 ZINC000539614504 1036980819 /nfs/dbraw/zinc/98/08/19/1036980819.db2.gz UVRMJMAZILNBJY-UHFFFAOYSA-N -1 0 343.876 3.972 20 0 EHADRM CCCOc1ccc(/C=C/C(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000178171478 1037003701 /nfs/dbraw/zinc/00/37/01/1037003701.db2.gz CJAQRPSQKWXGGH-FMIVXFBMSA-N -1 0 339.391 3.754 20 0 EHADRM O=C([N-]OCCC(F)(F)F)[C@@H](OC1CCCC1)c1ccccc1 ZINC000162747978 1037020576 /nfs/dbraw/zinc/02/05/76/1037020576.db2.gz YQJLMPVVQYYGRH-AWEZNQCLSA-N -1 0 331.334 3.687 20 0 EHADRM O=C([O-])C1CCC(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000263526559 1037041271 /nfs/dbraw/zinc/04/12/71/1037041271.db2.gz KEISTTKIXXSCLD-ADXGEFSYSA-N -1 0 341.451 3.672 20 0 EHADRM CC(C)Oc1ccccc1CC(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000539677979 1037073686 /nfs/dbraw/zinc/07/36/86/1037073686.db2.gz QSWKABBPNHTEHF-UHFFFAOYSA-N -1 0 347.455 3.558 20 0 EHADRM C[C@H](CNC(=O)c1cc(-c2ccccc2)ccc1Cl)CC(=O)[O-] ZINC000539688854 1037077845 /nfs/dbraw/zinc/07/78/45/1037077845.db2.gz SACCHLWKODVFBE-LBPRGKRZSA-N -1 0 331.799 3.848 20 0 EHADRM Fc1ccc(CN=c2[n-]nc(CC3CCCC3)o2)c(C(F)(F)F)c1 ZINC000539694937 1037085000 /nfs/dbraw/zinc/08/50/00/1037085000.db2.gz WHHRHFOYSQZCII-UHFFFAOYSA-N -1 0 343.324 3.994 20 0 EHADRM CC(C)C[C@@H]1CCN(C(=O)N=c2[n-]nc(-c3ccccc3)s2)C1 ZINC000465067963 1037104873 /nfs/dbraw/zinc/10/48/73/1037104873.db2.gz REUZNQOPQMMACC-ZDUSSCGKSA-N -1 0 330.457 3.527 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccnn1[C@@H](C)C1CC1 ZINC000414380071 1037137328 /nfs/dbraw/zinc/13/73/28/1037137328.db2.gz KEGBOIAQPHUIFJ-NSHDSACASA-N -1 0 339.848 3.617 20 0 EHADRM O=C([O-])c1csc([C@H]2CCCN2c2ccc(C(F)(F)F)cn2)n1 ZINC000573004298 1037152676 /nfs/dbraw/zinc/15/26/76/1037152676.db2.gz WHVHDDRYPXLUHH-SNVBAGLBSA-N -1 0 343.330 3.597 20 0 EHADRM CC(C)Oc1ccccc1[C@@H](C)NC(=O)c1ccc2[nH][nH]c(=O)c2c1 ZINC000666511604 1037157557 /nfs/dbraw/zinc/15/75/57/1037157557.db2.gz JEIWJAZPYHKWRU-GFCCVEGCSA-N -1 0 339.395 3.547 20 0 EHADRM C[C@H]1CCC[C@@H](NC(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)C1 ZINC000666518438 1037172839 /nfs/dbraw/zinc/17/28/39/1037172839.db2.gz ZZDDRYOVIUZHKG-GOEBONIOSA-N -1 0 344.455 3.853 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000089286798 1037208358 /nfs/dbraw/zinc/20/83/58/1037208358.db2.gz NCYVYPMJJSEAJK-JTQLQIEISA-N -1 0 335.347 3.671 20 0 EHADRM CC(C)c1ccc(C[C@@H]2CCN(C(=O)NCCCCC(=O)[O-])C2)cc1 ZINC000666562596 1037210711 /nfs/dbraw/zinc/21/07/11/1037210711.db2.gz SBERDXXTYQEYDA-KRWDZBQOSA-N -1 0 346.471 3.639 20 0 EHADRM Cc1ccc([C@@H](C)N(C)C(=O)NCc2cccc(C(=O)[O-])c2)c(C)c1 ZINC000666566466 1037214585 /nfs/dbraw/zinc/21/45/85/1037214585.db2.gz OYTWHEAPZWICGG-OAHLLOKOSA-N -1 0 340.423 3.904 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)C=CC1CCCCC1 ZINC000493317975 1037252008 /nfs/dbraw/zinc/25/20/08/1037252008.db2.gz HFIKUBBPDSIWPI-NTMALXAHSA-N -1 0 326.400 3.561 20 0 EHADRM CN(C(=O)c1cccc(Br)c1[O-])C1CCCCCC1 ZINC000539846759 1037274092 /nfs/dbraw/zinc/27/40/92/1037274092.db2.gz JTKXRYZCYCNKPQ-UHFFFAOYSA-N -1 0 326.234 3.950 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000659119609 1037279780 /nfs/dbraw/zinc/27/97/80/1037279780.db2.gz VPDSMXLIWKVLRB-QMMMGPOBSA-N -1 0 341.285 3.796 20 0 EHADRM CCC[C@](C)(NC(=O)Nc1ccc(Br)c(C)c1)C(=O)[O-] ZINC000040536979 1037309210 /nfs/dbraw/zinc/30/92/10/1037309210.db2.gz LVPHXSFBJVRVQV-AWEZNQCLSA-N -1 0 343.221 3.522 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000659120586 1037312218 /nfs/dbraw/zinc/31/22/18/1037312218.db2.gz QLKJTQLBZODKIT-INIZCTEOSA-N -1 0 325.364 3.578 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000659128278 1037329274 /nfs/dbraw/zinc/32/92/74/1037329274.db2.gz RWGIVBQCHFOCNH-AEFFLSMTSA-N -1 0 337.419 3.911 20 0 EHADRM C[C@H](NC(=O)c1cc(F)c([O-])c(F)c1)c1ccc(OC(F)F)cc1 ZINC000177030590 1037331293 /nfs/dbraw/zinc/33/12/93/1037331293.db2.gz GWVUZQIMCBJYFQ-QMMMGPOBSA-N -1 0 343.276 3.763 20 0 EHADRM CC(C)(CNC(=O)[C@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)[O-] ZINC000659135318 1037343306 /nfs/dbraw/zinc/34/33/06/1037343306.db2.gz BLLJCAHGXRQWFM-MRXNPFEDSA-N -1 0 345.826 3.699 20 0 EHADRM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1cc2cc(Cl)ccc2s1 ZINC000659151959 1037375532 /nfs/dbraw/zinc/37/55/32/1037375532.db2.gz NBUSREIFOXCKFJ-LYSGOOTNSA-N -1 0 349.839 3.880 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)C2(C(F)(F)F)CCCCC2)C1 ZINC000659145339 1037380781 /nfs/dbraw/zinc/38/07/81/1037380781.db2.gz OSUKIYKPDHRJQL-LBPRGKRZSA-N -1 0 335.366 3.603 20 0 EHADRM CO[C@H](CN=c1[n-]c(-c2cccc(Cl)c2)no1)c1ccccc1 ZINC000462784515 1037385177 /nfs/dbraw/zinc/38/51/77/1037385177.db2.gz FKFAXOPNPWZAAI-OAHLLOKOSA-N -1 0 329.787 3.612 20 0 EHADRM O=c1nc(-c2ccccn2)[n-]c2cc(-c3ccc4c(c3)OCO4)sc21 ZINC000053854771 1037394489 /nfs/dbraw/zinc/39/44/89/1037394489.db2.gz BQPAAKVBNLPJIL-UHFFFAOYSA-N -1 0 349.371 3.855 20 0 EHADRM Cc1cccc(C)c1[C@H]1CCCN1C(=O)Cc1ccccc1C(=O)[O-] ZINC000659166647 1037400977 /nfs/dbraw/zinc/40/09/77/1037400977.db2.gz HSBQQRZSMWKUBA-GOSISDBHSA-N -1 0 337.419 3.908 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N1CCCC2(CCCC2)CC1 ZINC000659171238 1037413357 /nfs/dbraw/zinc/41/33/57/1037413357.db2.gz AXVNSMIWZDTZKD-UHFFFAOYSA-N -1 0 329.440 3.890 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)cc1 ZINC000659189145 1037443465 /nfs/dbraw/zinc/44/34/65/1037443465.db2.gz FPHSDGPJMWWLPF-WZGPROSRSA-N -1 0 343.467 3.666 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N3CC[C@H](C(=O)[O-])[C@@H]4CCCC[C@@H]43)cc2c1 ZINC000659197029 1037454811 /nfs/dbraw/zinc/45/48/11/1037454811.db2.gz ZIKHUHHPVQJCJM-MPGHIAIKSA-N -1 0 340.423 3.582 20 0 EHADRM CCc1ccc(CCC(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)cc1 ZINC000659194382 1037465413 /nfs/dbraw/zinc/46/54/13/1037465413.db2.gz MDIRLIBAELCUHN-GBESFXJTSA-N -1 0 343.467 3.674 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NC[C@@H](CC(=O)[O-])C2CC2)c1 ZINC000659207929 1037489156 /nfs/dbraw/zinc/48/91/56/1037489156.db2.gz VWMAEBZJVPOYKA-GOEBONIOSA-N -1 0 347.455 3.503 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N(C)[C@@H](C)CC(=O)[O-])c(F)c2)cc1 ZINC000659218141 1037508430 /nfs/dbraw/zinc/50/84/30/1037508430.db2.gz ZUJGAAMQKQBGSN-ZDUSSCGKSA-N -1 0 329.371 3.736 20 0 EHADRM Cc1ccc2cccc(S(=O)(=O)[N-]c3cncc4ccccc43)c2n1 ZINC000540040093 1037508801 /nfs/dbraw/zinc/50/88/01/1037508801.db2.gz IKCAUGOGWSDGHK-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM COc1ccc(F)cc1[C@@H](C)N=c1[n-]nc(-c2ccccc2)s1 ZINC000613548274 1037541825 /nfs/dbraw/zinc/54/18/25/1037541825.db2.gz WLKDSGCVONBNAC-LLVKDONJSA-N -1 0 329.400 3.948 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000659234337 1037547540 /nfs/dbraw/zinc/54/75/40/1037547540.db2.gz RHMTYLQWDTXXGQ-GHTZIAJQSA-N -1 0 337.419 3.656 20 0 EHADRM CCC[C@H](NC(=O)CC1(CC(=O)[O-])CCCCC1)c1ccccn1 ZINC000591690856 1037558186 /nfs/dbraw/zinc/55/81/86/1037558186.db2.gz PVEZTCVKCSHICP-INIZCTEOSA-N -1 0 332.444 3.854 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000659239913 1037561363 /nfs/dbraw/zinc/56/13/63/1037561363.db2.gz PECHGMFLXGEULN-FXAWDEMLSA-N -1 0 336.391 3.694 20 0 EHADRM Cc1ccc2cc(Cl)cc(C(=O)N[C@@H]3CCC[C@]3(C)C(=O)[O-])c2n1 ZINC000659244011 1037574059 /nfs/dbraw/zinc/57/40/59/1037574059.db2.gz YLBPUUIOSKLNIB-KDOFPFPSSA-N -1 0 346.814 3.570 20 0 EHADRM O=C(/C=C/c1nc2ccccc2o1)Nc1cc(Cl)c([O-])cc1F ZINC000493775044 1037628699 /nfs/dbraw/zinc/62/86/99/1037628699.db2.gz GLWIDNXAYKKOPK-AATRIKPKSA-N -1 0 332.718 3.978 20 0 EHADRM CC[C@@H]1CCN(C(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000153166454 1037651304 /nfs/dbraw/zinc/65/13/04/1037651304.db2.gz IKSZUGOJJTXITH-MRVPVSSYSA-N -1 0 332.625 3.680 20 0 EHADRM Cc1ccc(S[C@H](C)C(=O)NC2(CC(=O)[O-])CCCCC2)cc1 ZINC000532593477 1037723851 /nfs/dbraw/zinc/72/38/51/1037723851.db2.gz QYEQMHFFYRUIPJ-CQSZACIVSA-N -1 0 335.469 3.769 20 0 EHADRM OCCC1(CN=c2[n-]nc(-c3cc(Cl)cc(Cl)c3)s2)CC1 ZINC000491200343 1037904340 /nfs/dbraw/zinc/90/43/40/1037904340.db2.gz LOJFXIJLCOZBQG-UHFFFAOYSA-N -1 0 344.267 3.508 20 0 EHADRM Cc1nc2ccc(CN=c3[n-]nc(Cc4ccsc4)o3)cc2s1 ZINC000492064478 1037932309 /nfs/dbraw/zinc/93/23/09/1037932309.db2.gz QRPMNMKRWZSTPC-UHFFFAOYSA-N -1 0 342.449 3.674 20 0 EHADRM COc1ccc(C(=O)/C=C/c2cccc(O[C@H](C)C(=O)[O-])c2)cc1F ZINC000058464761 1037938539 /nfs/dbraw/zinc/93/85/39/1037938539.db2.gz BFWWSUCFMAVAQD-WAFBPQNNSA-N -1 0 344.338 3.582 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)c2cc(F)c(F)c([O-])c2F)c(C)c1 ZINC000183591787 1037955677 /nfs/dbraw/zinc/95/56/77/1037955677.db2.gz RELOAORIFKISLI-NSHDSACASA-N -1 0 337.341 3.787 20 0 EHADRM CN(Cc1ccc(F)cc1)C(=O)c1cccc(Br)c1[O-] ZINC000592450857 1037985436 /nfs/dbraw/zinc/98/54/36/1037985436.db2.gz XZOGQTLMMVRJAC-UHFFFAOYSA-N -1 0 338.176 3.566 20 0 EHADRM O=C(C=CSCc1ccco1)N=c1nc(-c2ccccc2)[n-]s1 ZINC000492112582 1037994518 /nfs/dbraw/zinc/99/45/18/1037994518.db2.gz NGDQEYDMEGSSIS-NTMALXAHSA-N -1 0 343.433 3.606 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cccc(C)c2Cl)cc1F ZINC000540497120 1038015886 /nfs/dbraw/zinc/01/58/86/1038015886.db2.gz MBSDPZWOUXUYGY-UHFFFAOYSA-N -1 0 343.807 3.987 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N(Cc2cccs2)C2CC2)cc1 ZINC000492157837 1038059222 /nfs/dbraw/zinc/05/92/22/1038059222.db2.gz UPYMFLQRXWJHEA-YHYXMXQVSA-N -1 0 327.405 3.651 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)/C=C\c1cccc(C(F)(F)F)c1 ZINC000492199455 1038091681 /nfs/dbraw/zinc/09/16/81/1038091681.db2.gz VNRZRFTXFRSVJA-HJWRWDBZSA-N -1 0 349.308 3.984 20 0 EHADRM CC(C)([NH2+]Cc1cc(=O)oc2cc(O)ccc12)c1ccc(F)c(F)c1 ZINC000180260578 1038106747 /nfs/dbraw/zinc/10/67/47/1038106747.db2.gz DJLXOZKDCUYVBY-UHFFFAOYSA-N -1 0 345.345 3.802 20 0 EHADRM C[C@]1(NC(=O)c2cc3ccc(Cl)cc3[nH]2)CCCC[C@@H]1C(=O)[O-] ZINC000431857743 1038163815 /nfs/dbraw/zinc/16/38/15/1038163815.db2.gz ANGSZNQVXMCGQB-PXAZEXFGSA-N -1 0 334.803 3.585 20 0 EHADRM Cc1sc(/C=C/c2ccc(Oc3cnccn3)cc2)nc1C(=O)[O-] ZINC000339115574 1038328591 /nfs/dbraw/zinc/32/85/91/1038328591.db2.gz YSHVIPIPCYEFMT-QPJJXVBHSA-N -1 0 339.376 3.902 20 0 EHADRM O=C([O-])CC1(CNC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CCCCC1 ZINC000538576895 1038398964 /nfs/dbraw/zinc/39/89/64/1038398964.db2.gz FEPHCNZNZPOHPR-CVEARBPZSA-N -1 0 349.858 3.985 20 0 EHADRM FC(F)Oc1ccc(CN=c2[n-]nc(CC3CCCCC3)o2)cc1 ZINC000538591758 1038422020 /nfs/dbraw/zinc/42/20/20/1038422020.db2.gz HHALUEWJSZVNMX-UHFFFAOYSA-N -1 0 337.370 3.828 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC[C@@H](Oc2ccccc2)C1 ZINC000416273006 1038461624 /nfs/dbraw/zinc/46/16/24/1038461624.db2.gz ZEMJAGIFUDNMIY-CQSZACIVSA-N -1 0 349.789 3.868 20 0 EHADRM COc1ccc2c(c1)CCCCN2C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000378327515 1038469482 /nfs/dbraw/zinc/46/94/82/1038469482.db2.gz DWGDJIMFCABRMT-UHFFFAOYSA-N -1 0 348.402 3.520 20 0 EHADRM CC(C)c1nc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)no1 ZINC000538696689 1038473947 /nfs/dbraw/zinc/47/39/47/1038473947.db2.gz NNLWOAUJBCCGSU-UHFFFAOYSA-N -1 0 343.408 3.661 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@@H](c2ccccc2)C(C)C)cc1 ZINC000107944443 1038474210 /nfs/dbraw/zinc/47/42/10/1038474210.db2.gz IWQIJDCLXKIGSF-XXBNENTESA-N -1 0 329.465 3.616 20 0 EHADRM COc1ccc2nc(/C=C\c3cccc4nccn43)cc(C(=O)[O-])c2c1 ZINC000538754944 1038517582 /nfs/dbraw/zinc/51/75/82/1038517582.db2.gz PTIMRJUNIGGRAM-WAYWQWQTSA-N -1 0 345.358 3.760 20 0 EHADRM Cc1ccccc1N=c1[n-]nc(-c2ccoc2)n1C[C@H]1CCCCO1 ZINC000461850080 1038633137 /nfs/dbraw/zinc/63/31/37/1038633137.db2.gz KRCRFXRNLYJWRI-MRXNPFEDSA-N -1 0 338.411 3.581 20 0 EHADRM CCCc1nc(=N[C@H](CCO)c2ccc(Cl)c(Cl)c2)s[n-]1 ZINC000461865947 1038640786 /nfs/dbraw/zinc/64/07/86/1038640786.db2.gz OVDPMBJQHGNXTF-GFCCVEGCSA-N -1 0 346.283 3.755 20 0 EHADRM O=C([O-])C1(CNC(=O)CCCc2ccc(Cl)cc2)CCCCC1 ZINC000431872187 1038647004 /nfs/dbraw/zinc/64/70/04/1038647004.db2.gz SWCAXLDXTFYCHL-UHFFFAOYSA-N -1 0 337.847 3.814 20 0 EHADRM CCCCCCNC(=O)C(C#N)=C([O-])c1sc(C(C)(C)C)nc1C ZINC000146970400 1038697136 /nfs/dbraw/zinc/69/71/36/1038697136.db2.gz KLQVJAGPNBKCBJ-CYBMUJFWSA-N -1 0 349.500 3.768 20 0 EHADRM CC[C@@H](OCCN=c1[n-]nc(-c2ccccn2)s1)c1ccccc1 ZINC000651393015 1038761595 /nfs/dbraw/zinc/76/15/95/1038761595.db2.gz IHGXZFUHTACCGL-MRXNPFEDSA-N -1 0 340.452 3.602 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)s1 ZINC000910240424 1038783340 /nfs/dbraw/zinc/78/33/40/1038783340.db2.gz PUUAJNWZTVCAGM-AVGNSLFASA-N -1 0 335.469 3.761 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CC[C@@H]2CCc3ccccc32)[C@@H]2CCC[C@H]21 ZINC000910249433 1038787745 /nfs/dbraw/zinc/78/77/45/1038787745.db2.gz WGPGUTSDUBQDGJ-GDAAHCPNSA-N -1 0 341.451 3.598 20 0 EHADRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)C1CC2(CC2)C1 ZINC000910253104 1038790098 /nfs/dbraw/zinc/79/00/98/1038790098.db2.gz NFNCITUTOLTDQZ-UHFFFAOYSA-N -1 0 338.201 3.584 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@H]3CCc4ccc(Cl)cc43)(CC1)CC2 ZINC000910256560 1038791933 /nfs/dbraw/zinc/79/19/33/1038791933.db2.gz ZEPGPKKAKYVTPT-MNNVXMFVSA-N -1 0 347.842 3.869 20 0 EHADRM Cc1cc2scc(CC(=O)NCc3cc(C)c(C(=O)[O-])o3)c2s1 ZINC000910303872 1038818133 /nfs/dbraw/zinc/81/81/33/1038818133.db2.gz VLUMGDKDLSOZDW-UHFFFAOYSA-N -1 0 349.433 3.730 20 0 EHADRM Cc1cc(C(F)(F)F)cnc1N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000910309965 1038822380 /nfs/dbraw/zinc/82/23/80/1038822380.db2.gz XUPBYLKAGLUZGW-CQSZACIVSA-N -1 0 336.313 3.597 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(c2nc(C3CC3)ns2)CC1 ZINC000568868977 1038823840 /nfs/dbraw/zinc/82/38/40/1038823840.db2.gz FYHLZPFWTJTEEB-UHFFFAOYSA-N -1 0 343.452 3.573 20 0 EHADRM Cc1nc(C2CCN(C(=O)C3=CCCCCC3)CC2)sc1C(=O)[O-] ZINC000910358505 1038853332 /nfs/dbraw/zinc/85/33/32/1038853332.db2.gz TVNQRYIMZALOBX-UHFFFAOYSA-N -1 0 348.468 3.746 20 0 EHADRM CC(C)(CC(=O)N1C[C@H](CC(=O)[O-])c2ccccc21)CC(F)(F)F ZINC000910360708 1038857823 /nfs/dbraw/zinc/85/78/23/1038857823.db2.gz IYSCVKDMVSVTOL-NSHDSACASA-N -1 0 343.345 3.960 20 0 EHADRM CSc1ccc(C)c([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000539397124 1038868406 /nfs/dbraw/zinc/86/84/06/1038868406.db2.gz GZLVTNDJANWBMV-UHFFFAOYSA-N -1 0 329.393 3.796 20 0 EHADRM CC[C@H](C)CS(=O)(=O)[N-][C@@H](CCc1ccccc1)C(F)(F)F ZINC000479892920 1038872964 /nfs/dbraw/zinc/87/29/64/1038872964.db2.gz OUHKFGHHCULOOV-JSGCOSHPSA-N -1 0 337.407 3.516 20 0 EHADRM CC(C)(C)c1ccc(CNC(=O)C23CCC(C(=O)[O-])(CC2)C3)s1 ZINC000910378657 1038891169 /nfs/dbraw/zinc/89/11/69/1038891169.db2.gz FQYDHRANQIOSSE-UHFFFAOYSA-N -1 0 335.469 3.697 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)C(C)(C)N1C(=O)c1cncc(C(=O)[O-])c1 ZINC000910536764 1038958241 /nfs/dbraw/zinc/95/82/41/1038958241.db2.gz XMQKCXXZPBPZTN-CXAGYDPISA-N -1 0 338.407 3.577 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CC2(CCC2)[C@@H]1c1cccnc1 ZINC000898413662 1038978860 /nfs/dbraw/zinc/97/88/60/1038978860.db2.gz DPODRYSBYFIDSJ-INIZCTEOSA-N -1 0 346.789 3.947 20 0 EHADRM Cc1cc(Cl)cc(C)c1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[nH]1 ZINC000195503208 1038995878 /nfs/dbraw/zinc/99/58/78/1038995878.db2.gz PONCWISCAMRTCG-GQCTYLIASA-N -1 0 346.814 3.536 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)Nc1nc2c(s1)CCCCC2 ZINC000910631997 1038997700 /nfs/dbraw/zinc/99/77/00/1038997700.db2.gz PUOJNXQFDUMCCX-UHFFFAOYSA-N -1 0 344.436 3.682 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)nn1C1CCCCC1 ZINC000910659811 1039007438 /nfs/dbraw/zinc/00/74/38/1039007438.db2.gz BOKOEJMSJWKGPP-ZIAGYGMSSA-N -1 0 333.432 3.526 20 0 EHADRM O=C([O-])C12CCC(C(=O)Nc3ccc(C4CCC4)cn3)(CC1)CC2 ZINC000910662695 1039007840 /nfs/dbraw/zinc/00/78/40/1039007840.db2.gz KFJLPRRIHCEKSU-UHFFFAOYSA-N -1 0 328.412 3.713 20 0 EHADRM COCc1cccc(CNc2cc(C(=O)[O-])ccc2OC(C)C)c1 ZINC000485398314 1039010416 /nfs/dbraw/zinc/01/04/16/1039010416.db2.gz JGQPCCFQBISPOP-UHFFFAOYSA-N -1 0 329.396 3.931 20 0 EHADRM O=S(=O)([N-]c1ccc2[nH]ccc2c1)c1ccccc1OC(F)F ZINC000112850729 1039011050 /nfs/dbraw/zinc/01/10/50/1039011050.db2.gz OQEGTCAGHBNZTR-UHFFFAOYSA-N -1 0 338.335 3.570 20 0 EHADRM CCSCc1cccnc1NC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000910683481 1039019626 /nfs/dbraw/zinc/01/96/26/1039019626.db2.gz IKXAHUSHNOBBJZ-UHFFFAOYSA-N -1 0 348.468 3.698 20 0 EHADRM CC(C)c1sc(NC(=O)Cc2ccc(Cl)cc2)nc1C(=O)[O-] ZINC000910696564 1039024429 /nfs/dbraw/zinc/02/44/29/1039024429.db2.gz HIQHCOZVRCXCOM-UHFFFAOYSA-N -1 0 338.816 3.799 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)[C@@H]2CCCC[C@@H]2C)nc1C(=O)[O-] ZINC000910722915 1039032763 /nfs/dbraw/zinc/03/27/63/1039032763.db2.gz VFKCXIXFKPCLJG-UHTWSYAYSA-N -1 0 336.457 3.640 20 0 EHADRM O=C(c1nn(-c2cccc(F)c2)cc1[O-])N1CCCC2(CCCC2)C1 ZINC000552183580 1039041735 /nfs/dbraw/zinc/04/17/35/1039041735.db2.gz KPONMGMOMWOPDF-UHFFFAOYSA-N -1 0 343.402 3.513 20 0 EHADRM Cc1cc(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)cc(C)c1F ZINC000910740754 1039047821 /nfs/dbraw/zinc/04/78/21/1039047821.db2.gz AJEXNRBHFQGPAL-UHFFFAOYSA-N -1 0 334.372 3.727 20 0 EHADRM CSCCCCCCC(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910741769 1039049592 /nfs/dbraw/zinc/04/95/92/1039049592.db2.gz MDGQEUYUEJRZOC-UHFFFAOYSA-N -1 0 342.486 3.971 20 0 EHADRM O=S(=O)([N-]c1nc2c(s1)CCCCCC2)c1cccc(F)c1 ZINC000195638782 1039061692 /nfs/dbraw/zinc/06/16/92/1039061692.db2.gz HNLGJNHQBXAQON-UHFFFAOYSA-N -1 0 340.445 3.742 20 0 EHADRM Cc1cc(NCc2ccc(C(=O)[O-])cn2)ccc1OCC(F)(F)F ZINC000905726307 1039065153 /nfs/dbraw/zinc/06/51/53/1039065153.db2.gz OREWSWZRCKQSDS-UHFFFAOYSA-N -1 0 340.301 3.641 20 0 EHADRM O=C([O-])C1(C(F)(F)F)CCN(Cc2cc(F)cc(Cl)c2)CC1 ZINC000905739517 1039073234 /nfs/dbraw/zinc/07/32/34/1039073234.db2.gz UAGADPZOAIFMRK-UHFFFAOYSA-N -1 0 339.716 3.708 20 0 EHADRM O=C([O-])CC1CC(NC(=O)CCCSc2ccc(Cl)cc2)C1 ZINC000910813184 1039088942 /nfs/dbraw/zinc/08/89/42/1039088942.db2.gz SCPOBWQUARMGDT-UHFFFAOYSA-N -1 0 341.860 3.582 20 0 EHADRM O=C(COc1ccc(Cl)c(F)c1)Nc1cc(F)cc(Cl)c1[O-] ZINC000500653884 1039125526 /nfs/dbraw/zinc/12/55/26/1039125526.db2.gz SOGOFJRMHYIKAL-UHFFFAOYSA-N -1 0 348.132 3.995 20 0 EHADRM C[C@@H](CC(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)C1CCCCC1 ZINC000552286200 1039135760 /nfs/dbraw/zinc/13/57/60/1039135760.db2.gz KBEQSJXYPBLLRK-LBPRGKRZSA-N -1 0 328.416 3.722 20 0 EHADRM C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000910936878 1039143541 /nfs/dbraw/zinc/14/35/41/1039143541.db2.gz ZQYWZXAZHDANIF-OCCSQVGLSA-N -1 0 329.421 3.855 20 0 EHADRM C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000910936876 1039143874 /nfs/dbraw/zinc/14/38/74/1039143874.db2.gz ZQYWZXAZHDANIF-GXTWGEPZSA-N -1 0 329.421 3.855 20 0 EHADRM CC(C)(C)C(F)(F)C[N-]S(=O)(=O)Cc1ccc(C(F)F)cc1 ZINC000660106340 1039149347 /nfs/dbraw/zinc/14/93/47/1039149347.db2.gz CGUGDWDZBHFZCK-UHFFFAOYSA-N -1 0 341.370 3.725 20 0 EHADRM CSc1ccc(NC(=O)[C@@H](c2cccnc2)C(C)C)cc1C(=O)[O-] ZINC000910947713 1039168973 /nfs/dbraw/zinc/16/89/73/1039168973.db2.gz KLIRDWYWFXVIAZ-MRXNPFEDSA-N -1 0 344.436 3.880 20 0 EHADRM CCC1(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)CC2)CCCCC1 ZINC000911020825 1039187547 /nfs/dbraw/zinc/18/75/47/1039187547.db2.gz HCLOXBOCDUWLCS-UHFFFAOYSA-N -1 0 335.366 3.603 20 0 EHADRM CC(C)N(CC1CCC1)C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000614055430 1039190336 /nfs/dbraw/zinc/19/03/36/1039190336.db2.gz JZYSOIHDSFTYEZ-UHFFFAOYSA-N -1 0 349.381 3.507 20 0 EHADRM O=C([O-])c1cnc([C@H]2CCN(C(=O)C3CCCCCCC3)C2)s1 ZINC000911034758 1039206056 /nfs/dbraw/zinc/20/60/56/1039206056.db2.gz BUHAERKFYCZCPA-ZDUSSCGKSA-N -1 0 336.457 3.518 20 0 EHADRM CCNc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)c1cccc(OC)c1 ZINC000911083804 1039217679 /nfs/dbraw/zinc/21/76/79/1039217679.db2.gz RWJLSJGMSKOEFN-LBPRGKRZSA-N -1 0 342.395 3.567 20 0 EHADRM COc1ccc([C@H](NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)C2CCC2)cc1 ZINC000911063039 1039219488 /nfs/dbraw/zinc/21/94/88/1039219488.db2.gz SEPKYHKBHIFQTI-XYJFISCASA-N -1 0 345.439 3.544 20 0 EHADRM CC1(C)C[C@@H](c2ccccc2)CN1C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000911062090 1039220037 /nfs/dbraw/zinc/22/00/37/1039220037.db2.gz NTTYOEZXCZTWPH-SLZMIMFISA-N -1 0 339.391 3.786 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)c1C(C)C ZINC000911069974 1039220904 /nfs/dbraw/zinc/22/09/04/1039220904.db2.gz YDYPBSXVPAZDJM-UHFFFAOYSA-N -1 0 342.395 3.908 20 0 EHADRM Cn1cc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)c2ccccc21 ZINC001203425088 1039236677 /nfs/dbraw/zinc/23/66/77/1039236677.db2.gz VKSWZHGRIPVPQU-UHFFFAOYSA-N -1 0 336.800 3.822 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000236674510 1039237223 /nfs/dbraw/zinc/23/72/23/1039237223.db2.gz XNPBAROWMMBJOJ-ZWKOTPCHSA-N -1 0 325.408 3.513 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000911088125 1039240657 /nfs/dbraw/zinc/24/06/57/1039240657.db2.gz ZSMINNVPZGIBPZ-UHFFFAOYSA-N -1 0 328.368 3.529 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N([C@@H](C)c2ccccc2)C2CC2)s1 ZINC000554351252 1039250765 /nfs/dbraw/zinc/25/07/65/1039250765.db2.gz AOQWBLKNPVRBKF-NSHDSACASA-N -1 0 348.497 3.830 20 0 EHADRM CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1ccccc1CC ZINC000488570904 1039270871 /nfs/dbraw/zinc/27/08/71/1039270871.db2.gz WCWKVEGOMAUNDW-UHFFFAOYSA-N -1 0 335.473 3.745 20 0 EHADRM CC[C@@H](C(=O)NCCCCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000236966671 1039284630 /nfs/dbraw/zinc/28/46/30/1039284630.db2.gz VJVPQSOKDHHAGJ-CQSZACIVSA-N -1 0 345.361 3.960 20 0 EHADRM CN(C(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1)[C@@H]1CC1(C)C ZINC000488651542 1039317931 /nfs/dbraw/zinc/31/79/31/1039317931.db2.gz SJNIQARPEUZWEN-LLVKDONJSA-N -1 0 336.848 3.543 20 0 EHADRM CC/C=C(/C)C(=O)N(Cc1ccoc1C(=O)[O-])[C@@H](C)c1ccccn1 ZINC000911329077 1039323612 /nfs/dbraw/zinc/32/36/12/1039323612.db2.gz CGLRZJBQTDMJRC-LVOZBFFPSA-N -1 0 342.395 3.819 20 0 EHADRM Brc1ccccc1C1(CN=c2[n-]nc(C3CC3)o2)CCC1 ZINC000488688354 1039332482 /nfs/dbraw/zinc/33/24/82/1039332482.db2.gz NHXGLPUPRRAXAB-UHFFFAOYSA-N -1 0 348.244 3.665 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000911425308 1039370186 /nfs/dbraw/zinc/37/01/86/1039370186.db2.gz ZXFNVMHRZXZPFD-UHFFFAOYSA-N -1 0 342.395 3.919 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000237513301 1039376335 /nfs/dbraw/zinc/37/63/35/1039376335.db2.gz GYVJLSARZZJMSU-KSSFIOAISA-N -1 0 343.448 3.890 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2Cc3c(cccc3-c3ccc(C(F)(F)F)cc3CO)[C@@H]21 ZINC000906251173 1039411307 /nfs/dbraw/zinc/41/13/07/1039411307.db2.gz RXKNOKCYJJPEIP-IXDOHACOSA-N -1 0 348.320 3.835 20 0 EHADRM C[C@@H](C(=O)[N-]S(=O)(=O)CCCF)c1ccc(Cl)c(Cl)c1 ZINC000080314278 1039417166 /nfs/dbraw/zinc/41/71/66/1039417166.db2.gz UPQUAXFQXBXZKC-MRVPVSSYSA-N -1 0 342.219 3.743 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC000911570372 1039417999 /nfs/dbraw/zinc/41/79/99/1039417999.db2.gz IASGAOAYPDSRMQ-FUHWJXTLSA-N -1 0 341.382 3.519 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC000911570371 1039418125 /nfs/dbraw/zinc/41/81/25/1039418125.db2.gz IASGAOAYPDSRMQ-AEFFLSMTSA-N -1 0 341.382 3.519 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N[C@H]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC000911572991 1039418635 /nfs/dbraw/zinc/41/86/35/1039418635.db2.gz ODVNSRMEVMZTDN-WINAAZSOSA-N -1 0 347.430 3.859 20 0 EHADRM Cc1cc(-c2ccc(O[C@H]3CCOC3)c(C)c2)c(CC(=O)[O-])s1 ZINC000906242140 1039428374 /nfs/dbraw/zinc/42/83/74/1039428374.db2.gz XZFDACIOLFQBNW-AWEZNQCLSA-N -1 0 332.421 3.827 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1ccccc1C(F)(F)F ZINC000511604997 1039438309 /nfs/dbraw/zinc/43/83/09/1039438309.db2.gz OBAOGFMYPZHCQV-SNVBAGLBSA-N -1 0 337.297 3.895 20 0 EHADRM CC(C)(C)C1=CCN(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])CC1 ZINC000911650293 1039448928 /nfs/dbraw/zinc/44/89/28/1039448928.db2.gz ZKXKQKLRAXUUIV-UHFFFAOYSA-N -1 0 340.423 3.613 20 0 EHADRM COc1ccc(C[C@@H](C)C(=O)Nc2cc(C(=O)[O-])c(C)cc2F)cc1 ZINC000911681391 1039455349 /nfs/dbraw/zinc/45/53/49/1039455349.db2.gz LMCXJCPGVIQRBS-GFCCVEGCSA-N -1 0 345.370 3.658 20 0 EHADRM Cc1cc(F)c(NC(=O)c2cccc([C@H]3CCOC3)c2)cc1C(=O)[O-] ZINC000911688291 1039459989 /nfs/dbraw/zinc/45/99/89/1039459989.db2.gz GGVAXVNINRPHKA-AWEZNQCLSA-N -1 0 343.354 3.589 20 0 EHADRM C/C=C/c1ccc([N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc1 ZINC000584676621 1039463162 /nfs/dbraw/zinc/46/31/62/1039463162.db2.gz OGSUHZVFKMSKRH-NSCUHMNNSA-N -1 0 342.342 3.934 20 0 EHADRM CCCN(C(=O)c1ccc(NCc2ccsc2)cc1)[C@@H](C)C(=O)[O-] ZINC000911709917 1039468801 /nfs/dbraw/zinc/46/88/01/1039468801.db2.gz XZPJNXFTOQLGGJ-ZDUSSCGKSA-N -1 0 346.452 3.686 20 0 EHADRM CC(C)Oc1c(NC(=O)CO[C@H]2CCCC[C@H]2C)cccc1C(=O)[O-] ZINC000911738787 1039480442 /nfs/dbraw/zinc/48/04/42/1039480442.db2.gz HXBTZUOGPUODAW-CJNGLKHVSA-N -1 0 349.427 3.706 20 0 EHADRM Cc1c(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)cccc1-c1ncco1 ZINC000911751275 1039485078 /nfs/dbraw/zinc/48/50/78/1039485078.db2.gz XNNXSNNDHLWDGJ-UHFFFAOYSA-N -1 0 340.379 3.624 20 0 EHADRM CCSCc1ccc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000236860611 1039491189 /nfs/dbraw/zinc/49/11/89/1039491189.db2.gz WVULYGKLBIJCHS-INIZCTEOSA-N -1 0 335.469 3.799 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)C/C=C/c2ccc(F)cc2)cc1 ZINC000238144952 1039499441 /nfs/dbraw/zinc/49/94/41/1039499441.db2.gz AODXYVCFFSGUBL-ZELSAPOASA-N -1 0 325.339 3.966 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000911759189 1039507049 /nfs/dbraw/zinc/50/70/49/1039507049.db2.gz IOXPQPYWEGVNDD-DRPJVOAASA-N -1 0 335.831 3.593 20 0 EHADRM CC(C)N(C)c1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000500820284 1039544596 /nfs/dbraw/zinc/54/45/96/1039544596.db2.gz DXLZLYQLXYBFLS-UHFFFAOYSA-N -1 0 340.395 3.610 20 0 EHADRM C[C@@H]1COCC[C@H]1N=c1[n-]nc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000432857585 1039550267 /nfs/dbraw/zinc/55/02/67/1039550267.db2.gz FIKGFXOUGMYUPR-PRHODGIISA-N -1 0 344.267 3.771 20 0 EHADRM O=C([O-])C1(CC(=O)NCc2cc3ccccc3s2)CCCCC1 ZINC000552838510 1039556485 /nfs/dbraw/zinc/55/64/85/1039556485.db2.gz VYOSQFDCNSIFSM-UHFFFAOYSA-N -1 0 331.437 3.943 20 0 EHADRM Cc1ccccc1CN(CCCC(=O)[O-])C(=O)N(C)CC(C)(C)C ZINC000554703168 1039628328 /nfs/dbraw/zinc/62/83/28/1039628328.db2.gz ASMNBKJBZGOOOU-UHFFFAOYSA-N -1 0 334.460 3.760 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CC2(CCC2)[C@H]1c1cccnc1 ZINC000912043445 1039660256 /nfs/dbraw/zinc/66/02/56/1039660256.db2.gz WTOAQHPSTZHXON-MRXNPFEDSA-N -1 0 348.324 3.572 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3C)[nH]n2)c(F)c1 ZINC000485880760 1039662210 /nfs/dbraw/zinc/66/22/10/1039662210.db2.gz FSXSRBAIDYGNCW-UHFFFAOYSA-N -1 0 345.399 3.633 20 0 EHADRM CC1(C)[C@H](NC(=O)c2c([O-])cc(Cl)cc2Cl)[C@@H]2CCCO[C@H]21 ZINC000408410090 1039672832 /nfs/dbraw/zinc/67/28/32/1039672832.db2.gz JJAJZZYSOSNWRZ-CUOATXAZSA-N -1 0 344.238 3.632 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2)ccc1Cl ZINC000040867793 1039708081 /nfs/dbraw/zinc/70/80/81/1039708081.db2.gz RBFULYUYXSAATD-LLVKDONJSA-N -1 0 333.771 3.753 20 0 EHADRM CCCc1nc(=NC(=O)c2c(C)[nH]c3ccc(Cl)cc32)s[n-]1 ZINC000485947270 1039711331 /nfs/dbraw/zinc/71/13/31/1039711331.db2.gz ZWFONVXPFNJOPW-UHFFFAOYSA-N -1 0 334.832 3.608 20 0 EHADRM CC[C@H](C(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1)c1ccccc1 ZINC000485934492 1039714180 /nfs/dbraw/zinc/71/41/80/1039714180.db2.gz SGYJJVPAZUGZAZ-KRWDZBQOSA-N -1 0 336.391 3.858 20 0 EHADRM Cc1cccc(CO[N-]C(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)n1 ZINC000898930775 1039720044 /nfs/dbraw/zinc/72/00/44/1039720044.db2.gz MEZPUNZOKVQABA-CQSZACIVSA-N -1 0 342.292 3.667 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)Nc1ccc(OCC2CCCCC2)cc1 ZINC000584758381 1039742435 /nfs/dbraw/zinc/74/24/35/1039742435.db2.gz UEZYHDNURQEYRO-UHFFFAOYSA-N -1 0 348.443 3.973 20 0 EHADRM COc1ccc(/C=C(\CC(=O)[O-])c2nc3ccccc3o2)cc1F ZINC000007914147 1039749188 /nfs/dbraw/zinc/74/91/88/1039749188.db2.gz OBHZWBSSCPUXOO-XYOKQWHBSA-N -1 0 327.311 3.991 20 0 EHADRM O=C([O-])CC1(CC(=O)NC[C@H]2CCC[C@H]2c2ccccc2)CCC1 ZINC000643343541 1039800294 /nfs/dbraw/zinc/80/02/94/1039800294.db2.gz LDABNFATWSQWOH-SJORKVTESA-N -1 0 329.440 3.722 20 0 EHADRM Cc1ccc([C@@H]2OCCC[C@@H]2N=c2nc(C(F)(F)F)[n-]s2)cc1 ZINC000553151235 1039822988 /nfs/dbraw/zinc/82/29/88/1039822988.db2.gz ZAYKIXTWRJYQCP-RYUDHWBXSA-N -1 0 343.374 3.619 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N=c1[n-]nc(-c2ccccc2)s1 ZINC000480677086 1039871626 /nfs/dbraw/zinc/87/16/26/1039871626.db2.gz CVDUZHJLUKMVEO-UHFFFAOYSA-N -1 0 329.812 3.841 20 0 EHADRM Cc1c2cc(C)c(C)cc2sc1C(=O)N=c1ncn(C(C)(C)C)[n-]1 ZINC000486117355 1039877362 /nfs/dbraw/zinc/87/73/62/1039877362.db2.gz PDYBAGZHNYVPOE-UHFFFAOYSA-N -1 0 342.468 3.847 20 0 EHADRM O=C([N-]C1(c2c(Cl)cccc2Cl)CC1)C(F)(F)C(F)F ZINC001127061871 1039906366 /nfs/dbraw/zinc/90/63/66/1039906366.db2.gz GXCJHTAGYGNJBA-UHFFFAOYSA-N -1 0 330.108 3.999 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2nn(-c3ccccc3)cc2[O-])C1 ZINC000553335192 1039982478 /nfs/dbraw/zinc/98/24/78/1039982478.db2.gz SMVJDFRDQCYAPT-YJBOKZPZSA-N -1 0 347.418 3.801 20 0 EHADRM Cc1cc(C)cc([C@H](NCc2ncc(C(F)(F)F)s2)C(=O)[O-])c1 ZINC000417557826 1039998811 /nfs/dbraw/zinc/99/88/11/1039998811.db2.gz CVMSKUAGWCTYDT-ZDUSSCGKSA-N -1 0 344.358 3.694 20 0 EHADRM Fc1cccc([C@@H]2CC[C@H](N=c3[n-]nc(C(F)(F)F)s3)C2)c1 ZINC000480780252 1040002290 /nfs/dbraw/zinc/00/22/90/1040002290.db2.gz NMEONOUELNDQSK-KOLCDFICSA-N -1 0 331.338 3.866 20 0 EHADRM COc1ccncc1CSc1n[n-]c(=Nc2ccccc2F)s1 ZINC000553363007 1040009635 /nfs/dbraw/zinc/00/96/35/1040009635.db2.gz XBYVKELPSZNFTJ-UHFFFAOYSA-N -1 0 348.428 3.539 20 0 EHADRM O=C([O-])[C@H](NCc1cnc(C2CCC2)s1)c1cccc(Cl)c1 ZINC000417562394 1040010574 /nfs/dbraw/zinc/01/05/74/1040010574.db2.gz MIVNHTNVQNCVDW-CQSZACIVSA-N -1 0 336.844 3.980 20 0 EHADRM COCc1cnc(CN[C@H](CC(=O)[O-])c2ccc(C(C)C)cc2)s1 ZINC000417578558 1040025681 /nfs/dbraw/zinc/02/56/81/1040025681.db2.gz YTWWZCCFCOSHKX-MRXNPFEDSA-N -1 0 348.468 3.719 20 0 EHADRM CCc1nc(CN[C@@H](Cc2cccc3ccccc32)C(=O)[O-])cs1 ZINC000417588975 1040040146 /nfs/dbraw/zinc/04/01/46/1040040146.db2.gz UTJFTSFIMNGNPK-KRWDZBQOSA-N -1 0 340.448 3.644 20 0 EHADRM COc1cc(CNc2ccc(CC(=O)[O-])cc2)c(SC)cc1OC ZINC000417590941 1040045425 /nfs/dbraw/zinc/04/54/25/1040045425.db2.gz WVJOGNANGCRTCX-UHFFFAOYSA-N -1 0 347.436 3.665 20 0 EHADRM CC(=O)Nc1cccc(N=c2[n-]nc(SCCC3CC3)s2)c1 ZINC000479210672 1040049010 /nfs/dbraw/zinc/04/90/10/1040049010.db2.gz OUVVUMDBYGOXHR-UHFFFAOYSA-N -1 0 334.470 3.554 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(CN[C@H](CC(F)F)C(=O)[O-])o1 ZINC000417597671 1040051787 /nfs/dbraw/zinc/05/17/87/1040051787.db2.gz VAIRASKTEXFHDC-CYBMUJFWSA-N -1 0 327.302 3.592 20 0 EHADRM O=C([O-])[C@H]([NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)C1CC1 ZINC000417606821 1040058678 /nfs/dbraw/zinc/05/86/78/1040058678.db2.gz LEEGFRUPLBKRFN-OAHLLOKOSA-N -1 0 339.313 3.918 20 0 EHADRM CC[C@@H](Cc1ccc(NCc2cc(OC)cc(OC)c2)cc1)C(=O)[O-] ZINC000417616390 1040085621 /nfs/dbraw/zinc/08/56/21/1040085621.db2.gz YXFGTSQSUAUPCG-INIZCTEOSA-N -1 0 343.423 3.969 20 0 EHADRM CC[C@@H](Cc1ccc(NCc2ccc(NC(C)=O)cc2)cc1)C(=O)[O-] ZINC000417615879 1040086203 /nfs/dbraw/zinc/08/62/03/1040086203.db2.gz YBJMPQOBXSRJPQ-KRWDZBQOSA-N -1 0 340.423 3.910 20 0 EHADRM COCC[C@@H](Cc1cccc(-c2ccc(C(C)=O)cc2F)c1)C(=O)[O-] ZINC000584851576 1040099365 /nfs/dbraw/zinc/09/93/65/1040099365.db2.gz XGTCQLALIKXZSJ-KRWDZBQOSA-N -1 0 344.382 3.975 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1ccccc1C1CCC1)Cc1ccccc1 ZINC000907586337 1040102220 /nfs/dbraw/zinc/10/22/20/1040102220.db2.gz NJMDTTWWFAFDBR-KRWDZBQOSA-N -1 0 337.419 3.627 20 0 EHADRM CSCCCCN=c1[n-]nc(Cc2ccc(Cl)cc2)s1 ZINC000489627389 1040110852 /nfs/dbraw/zinc/11/08/52/1040110852.db2.gz HDSRJTJMKUDGDY-UHFFFAOYSA-N -1 0 327.906 3.759 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2cc(C3CC3)oc2C2CC2)CC1 ZINC000907616972 1040117320 /nfs/dbraw/zinc/11/73/20/1040117320.db2.gz QZAOAFLLVXOGBZ-UHFFFAOYSA-N -1 0 331.412 3.751 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(Cl)c3occc32)C1 ZINC000907660151 1040122848 /nfs/dbraw/zinc/12/28/48/1040122848.db2.gz VXXKVRXSRGUYMZ-QGZVFWFLSA-N -1 0 335.787 3.659 20 0 EHADRM C[C@@H](Sc1ccc(NCc2cnn(C(C)(C)C)c2)cc1)C(=O)[O-] ZINC000417663006 1040126660 /nfs/dbraw/zinc/12/66/60/1040126660.db2.gz VSPYXZZSFAXWIB-GFCCVEGCSA-N -1 0 333.457 3.815 20 0 EHADRM Cc1cc(F)ccc1[C@@H](C)NC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC000907785464 1040169658 /nfs/dbraw/zinc/16/96/58/1040169658.db2.gz NAXSWPZXRFARMI-VOWSPCBNSA-N -1 0 341.382 3.570 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccn(-c3ccccc3Cl)n2)cc1 ZINC000486494959 1040188017 /nfs/dbraw/zinc/18/80/17/1040188017.db2.gz FIXIDCDJXIATDP-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)[C@H]1CCCC2(CC2)C1)c1cccc(F)c1 ZINC000659153315 1040192376 /nfs/dbraw/zinc/19/23/76/1040192376.db2.gz URMVZTANTLBCQX-UGSOOPFHSA-N -1 0 333.403 3.602 20 0 EHADRM C[C@H](CC(F)(F)F)N=c1[n-]nc(Cc2ccc(Cl)cc2)s1 ZINC000489900670 1040226510 /nfs/dbraw/zinc/22/65/10/1040226510.db2.gz ULUROCZQCHJDNJ-MRVPVSSYSA-N -1 0 335.782 3.957 20 0 EHADRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000907927228 1040234257 /nfs/dbraw/zinc/23/42/57/1040234257.db2.gz XMKXKBOCSITDHG-HCXYKTFWSA-N -1 0 335.403 3.583 20 0 EHADRM CC(C)[C@H](C(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@H]12)c1cccc(Cl)c1 ZINC000907942788 1040239412 /nfs/dbraw/zinc/23/94/12/1040239412.db2.gz ZXXGOJKEZAAYEK-AYIQCDPPSA-N -1 0 349.858 3.695 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)[C@@H]1CCC=CCCC1 ZINC000907956429 1040248132 /nfs/dbraw/zinc/24/81/32/1040248132.db2.gz COAOTFLJKQAIEJ-CYBMUJFWSA-N -1 0 326.400 3.561 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N[C@H]1CCCC2(CC2)C1)C(=O)[O-] ZINC000907982654 1040256574 /nfs/dbraw/zinc/25/65/74/1040256574.db2.gz FPZIUGYAEZYDMT-STQMWFEESA-N -1 0 333.453 3.704 20 0 EHADRM O=C([O-])c1cccc2c1CCN2C(=O)[C@H]1CCSc2ccccc21 ZINC000907984854 1040257048 /nfs/dbraw/zinc/25/70/48/1040257048.db2.gz XPSXODYTNYBKPQ-AWEZNQCLSA-N -1 0 339.416 3.554 20 0 EHADRM CN(C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(CC(=O)[O-])c1 ZINC000908077636 1040287389 /nfs/dbraw/zinc/28/73/89/1040287389.db2.gz LPJXBXIEKBRKIC-CHWSQXEVSA-N -1 0 343.345 3.645 20 0 EHADRM CN(C(=O)[C@H]1CC[C@H]1c1ccc(F)cc1)c1cccc(CC(=O)[O-])c1 ZINC000908078587 1040289938 /nfs/dbraw/zinc/28/99/38/1040289938.db2.gz DKCAVGARIYTFMS-ROUUACIJSA-N -1 0 341.382 3.609 20 0 EHADRM CC(C)c1nc(/C=C\c2csc(C(F)(F)F)n2)ncc1C(=O)[O-] ZINC000899356302 1040364916 /nfs/dbraw/zinc/36/49/16/1040364916.db2.gz JIJRPWQARKZRRB-ARJAWSKDSA-N -1 0 343.330 3.944 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1sc2ccc(OC)cc2c1C ZINC000236948581 1040370995 /nfs/dbraw/zinc/37/09/95/1040370995.db2.gz HRHRGULLVCBYAL-JTQLQIEISA-N -1 0 335.425 3.544 20 0 EHADRM COc1cc(C)c(NS(=O)(=O)c2ccc(C)c(Cl)c2)cc1F ZINC000479557673 1040377968 /nfs/dbraw/zinc/37/79/68/1040377968.db2.gz UVYYHNOLCDLQMC-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM CCc1cc(O)ccc1NC(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000479559251 1040382342 /nfs/dbraw/zinc/38/23/42/1040382342.db2.gz YWLUOJHUHACSFP-UHFFFAOYSA-N -1 0 340.408 3.539 20 0 EHADRM C[C@@H](C(=O)NCCCCC1(C(=O)[O-])CCC1)c1c(F)cccc1F ZINC000908337444 1040400077 /nfs/dbraw/zinc/40/00/77/1040400077.db2.gz BCDXGQDGBWMIJY-GFCCVEGCSA-N -1 0 339.382 3.610 20 0 EHADRM Cc1ccc2c(CC(=O)NCCCCC3(C(=O)[O-])CCC3)c[nH]c2c1 ZINC000908342075 1040401293 /nfs/dbraw/zinc/40/12/93/1040401293.db2.gz OYUGGIHFIBTLSW-UHFFFAOYSA-N -1 0 342.439 3.560 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1 ZINC000908375630 1040419777 /nfs/dbraw/zinc/41/97/77/1040419777.db2.gz CICHYBVCMYVYCD-SQGPQFPESA-N -1 0 331.456 3.651 20 0 EHADRM COc1ccc2cc(CN=c3[n-]nc(Cc4ccccc4)o3)ccc2c1 ZINC000479773594 1040590918 /nfs/dbraw/zinc/59/09/18/1040590918.db2.gz RGQYRSVSPRYACQ-UHFFFAOYSA-N -1 0 345.402 3.856 20 0 EHADRM COc1cccc(Cc2n[n-]c(=NCc3ccc(C(C)C)cc3)o2)c1 ZINC000479779920 1040597569 /nfs/dbraw/zinc/59/75/69/1040597569.db2.gz MHURKTWNYZGHTO-UHFFFAOYSA-N -1 0 337.423 3.826 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000908741691 1040622345 /nfs/dbraw/zinc/62/23/45/1040622345.db2.gz GCWDYGRNUGPHOR-TZMCWYRMSA-N -1 0 337.828 3.718 20 0 EHADRM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1cccc(C2CCCC2)c1 ZINC000667861400 1040629609 /nfs/dbraw/zinc/62/96/09/1040629609.db2.gz QJECANUWPSETKH-UHFFFAOYSA-N -1 0 349.390 3.940 20 0 EHADRM CCc1n[n-]c(=NC(=O)N(CC)C[C@@H](CC)c2ccccc2)s1 ZINC000479820545 1040644791 /nfs/dbraw/zinc/64/47/91/1040644791.db2.gz CGPULINPZAKCKM-CYBMUJFWSA-N -1 0 332.473 3.570 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)Nc1ccccc1O[C@H](C)c1ccccc1 ZINC000908809643 1040661936 /nfs/dbraw/zinc/66/19/36/1040661936.db2.gz OBTPMCFJBQLBEU-HIFRSBDPSA-N -1 0 327.380 3.876 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1ccccc1O[C@H](C)c1ccccc1 ZINC000908809644 1040662212 /nfs/dbraw/zinc/66/22/12/1040662212.db2.gz OBTPMCFJBQLBEU-UKRRQHHQSA-N -1 0 327.380 3.876 20 0 EHADRM Cc1c(NC(=O)c2ccc3c(c2)CCCCC3=O)cccc1C(=O)[O-] ZINC000908841624 1040675990 /nfs/dbraw/zinc/67/59/90/1040675990.db2.gz GWKIILIBVPFSFX-UHFFFAOYSA-N -1 0 337.375 3.855 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccccc1CCC(=O)[O-] ZINC000908832310 1040680393 /nfs/dbraw/zinc/68/03/93/1040680393.db2.gz ANGNYZGOKMFYKE-YJBOKZPZSA-N -1 0 337.419 3.722 20 0 EHADRM CC(C)C[C@H](C(=O)N[C@@H](CC(F)F)C(=O)[O-])c1ccc(Cl)cc1 ZINC000659156794 1040706456 /nfs/dbraw/zinc/70/64/56/1040706456.db2.gz OKZPCHDKNGPFBS-STQMWFEESA-N -1 0 347.789 3.694 20 0 EHADRM Cc1cc(C(=O)N=c2nc(Cc3ccccc3)[n-]s2)cc(C)c1F ZINC000487146211 1040732642 /nfs/dbraw/zinc/73/26/42/1040732642.db2.gz CRHXVZOHZOGHPD-UHFFFAOYSA-N -1 0 341.411 3.559 20 0 EHADRM Cc1ccccc1[C@H](C)C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000909065135 1040787356 /nfs/dbraw/zinc/78/73/56/1040787356.db2.gz IYNFFDHPFMBUAY-MPGHIAIKSA-N -1 0 325.408 3.677 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CC[C@@H]([C@H]2CCCO2)C1 ZINC000899627892 1040892399 /nfs/dbraw/zinc/89/23/99/1040892399.db2.gz IUMDOORJLRKALC-SJKOYZFVSA-N -1 0 345.826 3.840 20 0 EHADRM CC1(C)Cc2cc(-c3nc(C(F)(F)F)c(C(=O)[O-])o3)ccc2O1 ZINC000899639551 1040906663 /nfs/dbraw/zinc/90/66/63/1040906663.db2.gz RRLYUKDCJXYAEE-UHFFFAOYSA-N -1 0 327.258 3.772 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2scnc2C2CCCC2)cc1F ZINC000909297041 1040914391 /nfs/dbraw/zinc/91/43/91/1040914391.db2.gz STCDBGDKZSSVLV-UHFFFAOYSA-N -1 0 334.372 3.890 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1cc(-c2ccccc2F)on1 ZINC000433166953 1040956192 /nfs/dbraw/zinc/95/61/92/1040956192.db2.gz YXBYFXRJAAWSDA-UHFFFAOYSA-N -1 0 346.383 3.844 20 0 EHADRM C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000481484566 1040958675 /nfs/dbraw/zinc/95/86/75/1040958675.db2.gz KSUHSYYVZBNZSJ-WDEREUQCSA-N -1 0 344.381 3.596 20 0 EHADRM O=C([O-])Cc1occc1C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000909728622 1040969459 /nfs/dbraw/zinc/96/94/59/1040969459.db2.gz FBHUVWRLANTRTL-UHFFFAOYSA-N -1 0 341.285 3.654 20 0 EHADRM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)c2csc(C(=O)[O-])n2)cc1 ZINC000909727816 1040969835 /nfs/dbraw/zinc/96/98/35/1040969835.db2.gz GKMJTDMFZIPRRY-HIFRSBDPSA-N -1 0 344.436 3.558 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)c1cccc(-c2c(F)cccc2F)c1 ZINC000909738298 1040991055 /nfs/dbraw/zinc/99/10/55/1040991055.db2.gz PVRPTQBFKKCQOK-AWEZNQCLSA-N -1 0 345.345 3.711 20 0 EHADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1sc2cccc(F)c2c1Cl ZINC000909805834 1041017761 /nfs/dbraw/zinc/01/77/61/1041017761.db2.gz KPTQOOPVKOBGBM-JGVFFNPUSA-N -1 0 341.791 3.629 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cccc(N3CCCC3)c2)c1 ZINC000909832164 1041028661 /nfs/dbraw/zinc/02/86/61/1041028661.db2.gz FGYZZYIUORJVAO-CQSZACIVSA-N -1 0 338.407 3.727 20 0 EHADRM CC[C@](O)(CC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC000909836764 1041034521 /nfs/dbraw/zinc/03/45/21/1041034521.db2.gz RKARTWOPPWTVQI-VLIAUNLRSA-N -1 0 341.407 3.501 20 0 EHADRM O=C([O-])c1cccc2c1CN(C(=O)[C@H]1CCC[C@@H]1c1ccccc1)CC2 ZINC000909868420 1041038386 /nfs/dbraw/zinc/03/83/86/1041038386.db2.gz HORAVHQFZZZWKP-MSOLQXFVSA-N -1 0 349.430 3.853 20 0 EHADRM Cc1ccc(-c2ccncc2)cc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000586833420 1041049355 /nfs/dbraw/zinc/04/93/55/1041049355.db2.gz DPVRYUWOHVHXQO-SJORKVTESA-N -1 0 336.391 3.663 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1ccc(Br)cc1F ZINC000899759252 1041063568 /nfs/dbraw/zinc/06/35/68/1041063568.db2.gz NUTFTFJQEGOKOY-SECBINFHSA-N -1 0 346.196 3.664 20 0 EHADRM CC(C)[C@@H](C)N(C)C(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1 ZINC000481566623 1041064860 /nfs/dbraw/zinc/06/48/60/1041064860.db2.gz RLZPTZDLCMADSH-SNVBAGLBSA-N -1 0 338.864 3.789 20 0 EHADRM CC[C@H](Cc1ccc(F)cc1)NC(=O)c1ccccc1CCC(=O)[O-] ZINC000909932135 1041068558 /nfs/dbraw/zinc/06/85/58/1041068558.db2.gz KMSGFIRZGFHESL-QGZVFWFLSA-N -1 0 343.398 3.594 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000899762024 1041089419 /nfs/dbraw/zinc/08/94/19/1041089419.db2.gz MLSNOHOCRJTCSJ-CRAIPNDOSA-N -1 0 329.396 3.622 20 0 EHADRM COc1ccc(NC(=O)C[C@H](C(=O)[O-])c2ccc(C)cc2)c(C)c1 ZINC000899767893 1041097855 /nfs/dbraw/zinc/09/78/55/1041097855.db2.gz UTHWQZBHWIUOQT-INIZCTEOSA-N -1 0 327.380 3.509 20 0 EHADRM Cc1ccc(-c2cccnc2)cc1NC(=O)[C@@H]1C[C@@]1(C(=O)[O-])C(C)C ZINC000899779002 1041102548 /nfs/dbraw/zinc/10/25/48/1041102548.db2.gz LZAPXTQPIVESRZ-OXJNMPFZSA-N -1 0 338.407 3.742 20 0 EHADRM CC[C@@H](NC(=O)C[C@H](C(=O)[O-])c1ccc(C)cc1)c1nc(C)cs1 ZINC000899773139 1041109562 /nfs/dbraw/zinc/10/95/62/1041109562.db2.gz YDIBIDONTRFKIX-LSDHHAIUSA-N -1 0 346.452 3.586 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000570964093 1041128582 /nfs/dbraw/zinc/12/85/82/1041128582.db2.gz AHTOIKIOOQAYQC-MWLCHTKSSA-N -1 0 342.848 3.636 20 0 EHADRM O=C([O-])c1cccc(Nc2ccc(Cl)nc2Br)c1 ZINC001175327381 1132639433 /nfs/dbraw/zinc/63/94/33/1132639433.db2.gz IRFKTOSUFLQRMQ-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-] ZINC000899800647 1041139462 /nfs/dbraw/zinc/13/94/62/1041139462.db2.gz YFEZLEOUBMHCQF-KYTINCRQSA-N -1 0 347.842 3.772 20 0 EHADRM Cc1ccc(CN(C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C(=O)[O-])C(C)C)s1 ZINC000899802646 1041141433 /nfs/dbraw/zinc/14/14/33/1041141433.db2.gz GXRRNJVBZSAFOT-DFHZNHDVSA-N -1 0 347.480 3.707 20 0 EHADRM COc1cc(C)c(C)cc1NC(=O)C[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC000899792875 1041144263 /nfs/dbraw/zinc/14/42/63/1041144263.db2.gz VDPJORBLIYPHDJ-INIZCTEOSA-N -1 0 341.407 3.817 20 0 EHADRM Cc1ccc([C@H](CC(=O)N2CCC[C@@H]2c2cccs2)C(=O)[O-])cc1 ZINC000899796844 1041148265 /nfs/dbraw/zinc/14/82/65/1041148265.db2.gz RILKSNQYLAZYSF-JKSUJKDBSA-N -1 0 343.448 3.979 20 0 EHADRM Cc1ccc(CN(C)C(=O)C[C@@H](C(=O)[O-])c2ccc(C)cc2)s1 ZINC000899807354 1041152177 /nfs/dbraw/zinc/15/21/77/1041152177.db2.gz VBASRHLNAGCFIV-MRXNPFEDSA-N -1 0 331.437 3.582 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)C[C@H](C(=O)[O-])c2ccc(C)cc2)s1 ZINC000899810980 1041156571 /nfs/dbraw/zinc/15/65/71/1041156571.db2.gz YVLHNOATKAWDEB-GUYCJALGSA-N -1 0 345.464 3.671 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)C(=O)[O-])cc1 ZINC000899803633 1041162302 /nfs/dbraw/zinc/16/23/02/1041162302.db2.gz RTEQLPNUYYNHSO-CTXUPJPISA-N -1 0 341.451 3.590 20 0 EHADRM Cc1nc(-c2ccc(C(=O)N3CCCCC[C@@H]3C(=O)[O-])cc2)cs1 ZINC000910044627 1041163719 /nfs/dbraw/zinc/16/37/19/1041163719.db2.gz QMEJLDVHCHDEEW-MRXNPFEDSA-N -1 0 344.436 3.588 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N[C@@H]2CSc3ccccc32)C(=O)[O-])cc1 ZINC000899819805 1041176743 /nfs/dbraw/zinc/17/67/43/1041176743.db2.gz QHJCIBDZGWJNSL-HZPDHXFCSA-N -1 0 341.432 3.517 20 0 EHADRM O=C([O-])c1ccc(OCc2ccccc2)c(NC(=O)[C@@H]2CC23CC3)c1 ZINC000910086868 1041184411 /nfs/dbraw/zinc/18/44/11/1041184411.db2.gz DBYJQJCDWRROOA-HNNXBMFYSA-N -1 0 337.375 3.702 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)NC(C)(C)c1nc2ccccc2s1 ZINC000899829361 1041188215 /nfs/dbraw/zinc/18/82/15/1041188215.db2.gz YAFVZNHBCANJIO-LBPRGKRZSA-N -1 0 348.468 3.785 20 0 EHADRM Cc1ccc(CC[C@H](C)NC(=O)C[C@H](C(=O)[O-])c2ccc(C)cc2)o1 ZINC000899831775 1041192326 /nfs/dbraw/zinc/19/23/26/1041192326.db2.gz YVZCVQFCVLIORV-KSSFIOAISA-N -1 0 343.423 3.592 20 0 EHADRM Cc1ccc([C@H](CC(=O)NCc2ccc([C@H]3C[C@H]3C)o2)C(=O)[O-])cc1 ZINC000899831557 1041192375 /nfs/dbraw/zinc/19/23/75/1041192375.db2.gz UKGPXZFASBSMGV-COXVUDFISA-N -1 0 341.407 3.586 20 0 EHADRM O=C([O-])[C@]1(Cc2ccccc2)CCCN1C(=O)c1ccc(C(F)F)o1 ZINC000910107949 1041192557 /nfs/dbraw/zinc/19/25/57/1041192557.db2.gz PRESJSNNOYNYJW-GOSISDBHSA-N -1 0 349.333 3.519 20 0 EHADRM Cc1cc(-c2cc(F)ccc2OC[C@H]2CCCO2)ccc1CC(=O)[O-] ZINC000571179164 1041194525 /nfs/dbraw/zinc/19/45/25/1041194525.db2.gz IDWHKOSRPWHFRR-QGZVFWFLSA-N -1 0 344.382 3.986 20 0 EHADRM C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])cs1 ZINC000910113636 1041196102 /nfs/dbraw/zinc/19/61/02/1041196102.db2.gz JLBJJXLZMNSXIW-FZMZJTMJSA-N -1 0 336.457 3.721 20 0 EHADRM CCN(C(=O)c1ccc(C(=O)[O-])cc1)[C@@H](C)c1cccc(OC)c1 ZINC000237028452 1041243033 /nfs/dbraw/zinc/24/30/33/1041243033.db2.gz ZOUDYYGPXDKOLB-ZDUSSCGKSA-N -1 0 327.380 3.617 20 0 EHADRM O=C(Nc1ncc(C2CCOCC2)s1)c1cc(Cl)ccc1[O-] ZINC000571256460 1041245998 /nfs/dbraw/zinc/24/59/98/1041245998.db2.gz AAQOLCNZEIMSLR-UHFFFAOYSA-N -1 0 338.816 3.648 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)/C=C(/C)c1ccccc1C(F)(F)F ZINC000237027835 1041250652 /nfs/dbraw/zinc/25/06/52/1041250652.db2.gz VFHNJEMNMXSKNM-SLWQEBJJSA-N -1 0 343.345 3.868 20 0 EHADRM Cc1c(NC(=O)CCSc2ccccc2F)cccc1C(=O)[O-] ZINC000390667744 1041268468 /nfs/dbraw/zinc/26/84/68/1041268468.db2.gz RHWDOMXPMUBIOS-UHFFFAOYSA-N -1 0 333.384 3.953 20 0 EHADRM CCCC[C@@H](NC(=O)c1ccc(OC2CCC2)cc1Cl)C(=O)[O-] ZINC000431983762 1041449123 /nfs/dbraw/zinc/44/91/23/1041449123.db2.gz WSRAEFKAZXSXKL-OAHLLOKOSA-N -1 0 339.819 3.645 20 0 EHADRM C[C@H](c1ccco1)N(C)C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000193783947 1041589435 /nfs/dbraw/zinc/58/94/35/1041589435.db2.gz XTLOZJYQYKCWTC-LLVKDONJSA-N -1 0 345.786 3.658 20 0 EHADRM C[C@H](C(=O)NC[C@@H](CC1CC1)C(=O)[O-])c1c(Cl)cccc1Cl ZINC000652099379 1041604543 /nfs/dbraw/zinc/60/45/43/1041604543.db2.gz ZOURMHUXEKJWKU-GXSJLCMTSA-N -1 0 344.238 3.714 20 0 EHADRM C[C@@]1(NC(=O)Cc2c(Cl)cccc2Cl)CCCC[C@@H]1C(=O)[O-] ZINC000432122691 1041618500 /nfs/dbraw/zinc/61/85/00/1041618500.db2.gz OORSXFHVBLXYSD-BDJLRTHQSA-N -1 0 344.238 3.686 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)N[C@H](CC1(OC)CCC1)C(=O)[O-] ZINC000652108854 1041618965 /nfs/dbraw/zinc/61/89/65/1041618965.db2.gz YRPIKSDUCJRTER-HZPDHXFCSA-N -1 0 339.476 3.512 20 0 EHADRM C[C@]1(NC(=O)c2cc3cc(Cl)ccc3o2)CCCC[C@H]1C(=O)[O-] ZINC000432126762 1041625489 /nfs/dbraw/zinc/62/54/89/1041625489.db2.gz OOINRPHHYOPFRB-SJCJKPOMSA-N -1 0 335.787 3.850 20 0 EHADRM CCCOc1ccc(CCC(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])cc1 ZINC000432138080 1041639879 /nfs/dbraw/zinc/63/98/79/1041639879.db2.gz HYYGXMZAGYPZMJ-FXAWDEMLSA-N -1 0 347.455 3.558 20 0 EHADRM CC(C)c1ccc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1Cl ZINC000652123321 1041663928 /nfs/dbraw/zinc/66/39/28/1041663928.db2.gz IZXHMJFABWCJKA-LSDHHAIUSA-N -1 0 335.831 3.646 20 0 EHADRM COc1ccc(CN2CCC(C(=O)c3ccc(O)cc3)CC2)c(F)c1 ZINC000651611402 1041786845 /nfs/dbraw/zinc/78/68/45/1041786845.db2.gz WPLHGCWIBNVMOR-UHFFFAOYSA-N -1 0 343.398 3.635 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)cc(F)c2)c1 ZINC000432207241 1041808401 /nfs/dbraw/zinc/80/84/01/1041808401.db2.gz WLRAWUNXVGZGIC-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000044830937 1041993315 /nfs/dbraw/zinc/99/33/15/1041993315.db2.gz NLTUWYPSGCLKRL-IRXDYDNUSA-N -1 0 329.396 3.614 20 0 EHADRM CCCOc1ccc(Nc2cccc(S(=O)(=O)[O-])c2)cc1F ZINC001211670469 1042235539 /nfs/dbraw/zinc/23/55/39/1042235539.db2.gz QRJXSJDMNHHOPM-UHFFFAOYSA-N -1 0 325.361 3.605 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)C[C@@H](C)c1c[nH]c2ccccc21 ZINC000909375724 1042315845 /nfs/dbraw/zinc/31/58/45/1042315845.db2.gz OSEBZCAMRXOXNJ-CYBMUJFWSA-N -1 0 330.428 3.811 20 0 EHADRM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccccc1-c1cccs1 ZINC000025766001 1042320468 /nfs/dbraw/zinc/32/04/68/1042320468.db2.gz PRFUSBXZHAWXQX-UHFFFAOYSA-N -1 0 333.438 3.556 20 0 EHADRM CCOc1cccc2cc([C@H](C)NC(=O)[C@H](C(=O)[O-])C(C)(C)C)oc21 ZINC000663094223 1042443153 /nfs/dbraw/zinc/44/31/53/1042443153.db2.gz HWBPLXQPOCIKPB-XHDPSFHLSA-N -1 0 347.411 3.756 20 0 EHADRM CCN(C(=O)c1cc(C2CC2)nc2ccc(Cl)cc21)[C@@H](C)C(=O)[O-] ZINC000663123536 1042473835 /nfs/dbraw/zinc/47/38/35/1042473835.db2.gz CONMTYPEGSSXSQ-JTQLQIEISA-N -1 0 346.814 3.701 20 0 EHADRM CC(C)[C@@H](C(=O)NC[C@@H](C(=O)[O-])C1CCC1)c1cccc(Cl)c1 ZINC000663147780 1042492544 /nfs/dbraw/zinc/49/25/44/1042492544.db2.gz OJBOMDNJQRGQCB-HZPDHXFCSA-N -1 0 337.847 3.697 20 0 EHADRM COc1c(F)cc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)cc1F ZINC001211686971 1042527777 /nfs/dbraw/zinc/52/77/77/1042527777.db2.gz MZLDZRHHDMOIQZ-UHFFFAOYSA-N -1 0 349.742 3.617 20 0 EHADRM Cc1ccc2c(c1)CC[C@H]2NC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000909401270 1042529607 /nfs/dbraw/zinc/52/96/07/1042529607.db2.gz OPEKMQVVEGLDOQ-PBPGXSGUSA-N -1 0 327.424 3.524 20 0 EHADRM CCS[C@H]1CCC[C@@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000184477554 1042555382 /nfs/dbraw/zinc/55/53/82/1042555382.db2.gz OYNRGSVEGWQGGK-MNOVXSKESA-N -1 0 331.840 3.979 20 0 EHADRM Cc1cccc2c1CCC[C@@H]2NC(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000663228562 1042574535 /nfs/dbraw/zinc/57/45/35/1042574535.db2.gz JPARYCBIQDDNLI-MOPGFXCFSA-N -1 0 337.419 3.747 20 0 EHADRM COC[C@@H](C)Oc1ccc(CNc2cccc(C(=O)[O-])c2C)cc1 ZINC000663259448 1042608987 /nfs/dbraw/zinc/60/89/87/1042608987.db2.gz BLGFECCJKWCCMH-CYBMUJFWSA-N -1 0 329.396 3.719 20 0 EHADRM O=C([O-])[C@H](CNC(=O)Nc1ccc(OC2CCCC2)cc1)C1CCC1 ZINC000663342127 1042726095 /nfs/dbraw/zinc/72/60/95/1042726095.db2.gz XPIJJACOWUKRQH-QGZVFWFLSA-N -1 0 346.427 3.630 20 0 EHADRM CCCc1nnc([N-]S(=O)(=O)c2csc3ccccc32)s1 ZINC000350126541 1042834290 /nfs/dbraw/zinc/83/42/90/1042834290.db2.gz VUYLKTWFTGIPNL-UHFFFAOYSA-N -1 0 339.467 3.506 20 0 EHADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)nc1C ZINC000314696903 1042856748 /nfs/dbraw/zinc/85/67/48/1042856748.db2.gz SMZMLJIRXYDOOX-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CCc1cccc(C)c1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000314871973 1042878540 /nfs/dbraw/zinc/87/85/40/1042878540.db2.gz KJUCSRSKEMRCQJ-UHFFFAOYSA-N -1 0 328.796 3.546 20 0 EHADRM C[C@H](CC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1cccc(F)c1 ZINC000653331719 1042967705 /nfs/dbraw/zinc/96/77/05/1042967705.db2.gz VKPSBSOSLXBUTK-NXOUGTEYSA-N -1 0 341.382 3.749 20 0 EHADRM O=S(=O)([N-]c1cnccc1-c1ccccc1)c1ccc(F)cc1F ZINC000432350257 1042986856 /nfs/dbraw/zinc/98/68/56/1042986856.db2.gz CSFVQMRYSHSGJR-UHFFFAOYSA-N -1 0 346.358 3.828 20 0 EHADRM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)c1ccc(C(=O)[O-])cc1F ZINC000432120998 1043013617 /nfs/dbraw/zinc/01/36/17/1043013617.db2.gz TWRCOUCZRSADMR-WDEREUQCSA-N -1 0 345.345 3.811 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ccc3ccccc3n2)c(C)c1C ZINC000605075286 1043087365 /nfs/dbraw/zinc/08/73/65/1043087365.db2.gz XORYMTXQFJRZBF-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM O=C([O-])[C@@]1(CC(=O)Nc2cccc(-c3cccs3)c2)CCSC1 ZINC000585810295 1043088448 /nfs/dbraw/zinc/08/84/48/1043088448.db2.gz JWOVUQXCUCCNAH-QGZVFWFLSA-N -1 0 347.461 3.952 20 0 EHADRM Cc1occc1-c1n[n-]c(=NCc2ccc(C(F)(F)F)s2)o1 ZINC000432423138 1043171400 /nfs/dbraw/zinc/17/14/00/1043171400.db2.gz IJRUFMARMGZIOG-UHFFFAOYSA-N -1 0 329.303 3.752 20 0 EHADRM Fc1ccc2nc(CN=c3[n-]nc(-c4cccs4)o3)sc2c1 ZINC000432429648 1043190797 /nfs/dbraw/zinc/19/07/97/1043190797.db2.gz PWYSRKPPPLPVMK-UHFFFAOYSA-N -1 0 332.385 3.581 20 0 EHADRM O=C(CSc1cccc(C(F)(F)F)c1)Nc1ncccc1O ZINC000344187583 1043391888 /nfs/dbraw/zinc/39/18/88/1043391888.db2.gz MCIKRVVUOHLZSO-UHFFFAOYSA-N -1 0 328.315 3.537 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1)C1CCCCC1 ZINC000432512348 1043675827 /nfs/dbraw/zinc/67/58/27/1043675827.db2.gz GGMTWGFASFEORB-QKLQHJQFSA-N -1 0 347.430 3.859 20 0 EHADRM Cc1csc(C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1Cl ZINC000647757244 1043679962 /nfs/dbraw/zinc/67/99/62/1043679962.db2.gz AOXDYQOMYDJLAG-OLZOCXBDSA-N -1 0 349.839 3.650 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N(Cc1ccoc1)C1CC1 ZINC000889088956 1043805154 /nfs/dbraw/zinc/80/51/54/1043805154.db2.gz KSQQNSMOJIRGNL-UHFFFAOYSA-N -1 0 325.286 3.809 20 0 EHADRM Cc1cccc(C2(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)CCC2)c1 ZINC000324430886 1044359152 /nfs/dbraw/zinc/35/91/52/1044359152.db2.gz VUKFNKVXNCNYQW-MRXNPFEDSA-N -1 0 329.440 3.520 20 0 EHADRM O=S(=O)([N-]C1CCC2(CC2)CC1)c1c(Cl)ccc(F)c1F ZINC000344755286 1044381816 /nfs/dbraw/zinc/38/18/16/1044381816.db2.gz CXWWIGASMRMJEI-UHFFFAOYSA-N -1 0 335.803 3.619 20 0 EHADRM C[C@@H](c1ccccc1)N(C)C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000344807089 1044449620 /nfs/dbraw/zinc/44/96/20/1044449620.db2.gz GTYKLBOYNJMKSH-ZDUSSCGKSA-N -1 0 339.370 3.550 20 0 EHADRM CCC(CC)(CC)NC(=O)c1ccc(-n2ncc(C(=O)[O-])c2C)cc1 ZINC000236627144 1044548675 /nfs/dbraw/zinc/54/86/75/1044548675.db2.gz RMIMQMCNFBRSBU-UHFFFAOYSA-N -1 0 343.427 3.578 20 0 EHADRM C[C@H]1CCc2sc(C(=O)Nc3ccc(OCC(=O)[O-])cc3)cc2C1 ZINC000261626391 1044761945 /nfs/dbraw/zinc/76/19/45/1044761945.db2.gz GUCOXAZOVDXBLK-NSHDSACASA-N -1 0 345.420 3.589 20 0 EHADRM Cc1nn(C)cc1CC(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000622481139 1126705873 /nfs/dbraw/zinc/70/58/73/1126705873.db2.gz IAQBALNJYVVFAO-UHFFFAOYSA-N -1 0 348.617 3.576 20 0 EHADRM CC1(C)CC[C@H](NC(=O)C[C@@]2(C(=O)[O-])CCSC2)c2ccccc21 ZINC000622602478 1126727887 /nfs/dbraw/zinc/72/78/87/1126727887.db2.gz MWDSBCDKGMDTTC-KXBFYZLASA-N -1 0 347.480 3.513 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N[C@H](C)c2ccc(OCC)cc2)s1 ZINC000642417398 1126810872 /nfs/dbraw/zinc/81/08/72/1126810872.db2.gz ZJUQKPJNLXREST-GFCCVEGCSA-N -1 0 348.472 3.584 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1Cl ZINC000336849699 1126811798 /nfs/dbraw/zinc/81/17/98/1126811798.db2.gz SVILMWIPTMSANQ-BIMULSAOSA-N -1 0 342.222 3.851 20 0 EHADRM Cc1cc(Cl)cc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000336867632 1126812926 /nfs/dbraw/zinc/81/29/26/1126812926.db2.gz NWIONBIFTUQSIS-MRXNPFEDSA-N -1 0 331.799 3.984 20 0 EHADRM C[C@@](CC(=O)Nc1ccc2ncsc2c1)(C(=O)[O-])c1ccccc1 ZINC000336878564 1126814174 /nfs/dbraw/zinc/81/41/74/1126814174.db2.gz GKNSOWDUVMHLSV-SFHVURJKSA-N -1 0 340.404 3.667 20 0 EHADRM COc1ccc(C)cc1/C=C/C(=O)c1ccc(OC)c(CC(=O)[O-])c1 ZINC000072751863 1126876108 /nfs/dbraw/zinc/87/61/08/1126876108.db2.gz MKAZCENMWZGYSZ-FNORWQNLSA-N -1 0 340.375 3.535 20 0 EHADRM C[C@H]1Cc2c[nH]nc2[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000623207630 1126895986 /nfs/dbraw/zinc/89/59/86/1126895986.db2.gz YQAQUOCXHUINBQ-OIBJUYFYSA-N -1 0 340.210 3.727 20 0 EHADRM CCCCCC[C@H](C)NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000072849692 1126903655 /nfs/dbraw/zinc/90/36/55/1126903655.db2.gz LWPPZOQRBPVTEN-HNNXBMFYSA-N -1 0 329.444 3.563 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000901721256 1127161983 /nfs/dbraw/zinc/16/19/83/1127161983.db2.gz YNEFKDWTXGQVJG-QGZVFWFLSA-N -1 0 345.345 3.569 20 0 EHADRM Fc1ccc(-c2noc(=N[C@@H]3CCO[C@H](c4ccccc4)C3)[n-]2)cc1 ZINC000624104721 1127251986 /nfs/dbraw/zinc/25/19/86/1127251986.db2.gz HMVMJUGEQZKWGC-SJORKVTESA-N -1 0 339.370 3.630 20 0 EHADRM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3F)cc2s1 ZINC000356727444 1127299560 /nfs/dbraw/zinc/29/95/60/1127299560.db2.gz CSAUJCWCVXCZJR-UHFFFAOYSA-N -1 0 336.413 3.853 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000360094971 1127336454 /nfs/dbraw/zinc/33/64/54/1127336454.db2.gz BTPKJMQHUNCSJB-UHFFFAOYSA-N -1 0 339.391 3.806 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2OC(C)C)c(C)o1 ZINC000182793744 1127347980 /nfs/dbraw/zinc/34/79/80/1127347980.db2.gz SMBPKFKXWWLZEB-UHFFFAOYSA-N -1 0 327.377 3.624 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)CSc1cc(Cl)ccc1Cl)C1CC1 ZINC000362461719 1127359542 /nfs/dbraw/zinc/35/95/42/1127359542.db2.gz XUONIVLCBUDDMC-MRVPVSSYSA-N -1 0 348.251 3.550 20 0 EHADRM CCCOc1cc(F)ccc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000183218895 1127367641 /nfs/dbraw/zinc/36/76/41/1127367641.db2.gz USRBPXFODMITLA-UHFFFAOYSA-N -1 0 343.276 3.990 20 0 EHADRM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000183582448 1127381762 /nfs/dbraw/zinc/38/17/62/1127381762.db2.gz NJBTXCBNPMHZRL-XXFAHNHDSA-N -1 0 335.325 3.863 20 0 EHADRM C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H]1CCC(C)(C)c2ccccc21 ZINC000184366921 1127403290 /nfs/dbraw/zinc/40/32/90/1127403290.db2.gz XYAUSKOPDKLYCM-GXFFZTMASA-N -1 0 335.391 3.669 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cn2)c(C)c1 ZINC000194161666 1127453494 /nfs/dbraw/zinc/45/34/94/1127453494.db2.gz WQCZZLXTWPBOEF-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM CC(C)(C)Cc1nnc([N-]S(=O)(=O)c2cccc3ccccc32)o1 ZINC000194869092 1127468898 /nfs/dbraw/zinc/46/88/98/1127468898.db2.gz QWUYQBWLHIAPMB-UHFFFAOYSA-N -1 0 345.424 3.612 20 0 EHADRM Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1cnc(Cl)cc1C ZINC000764550969 1127505892 /nfs/dbraw/zinc/50/58/92/1127505892.db2.gz OSPZFJQCQVDUJQ-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM CCC(CC)(CC(=O)Nc1ccc(NC(C)=O)c(Cl)c1)C(=O)[O-] ZINC000010829438 1127633785 /nfs/dbraw/zinc/63/37/85/1127633785.db2.gz SDSRLEWLNVYWQN-UHFFFAOYSA-N -1 0 340.807 3.518 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN1C(=O)c1sc2cc(F)ccc2c1Cl ZINC000387278068 1127738252 /nfs/dbraw/zinc/73/82/52/1127738252.db2.gz YAYKPOGULOAMPW-OAHLLOKOSA-N -1 0 341.791 3.773 20 0 EHADRM Cc1nc(=NC(=O)C2(Cc3cccc(F)c3)CCCCC2)s[n-]1 ZINC000499370833 1127758420 /nfs/dbraw/zinc/75/84/20/1127758420.db2.gz GXVMPNPNQJTOMV-UHFFFAOYSA-N -1 0 333.432 3.539 20 0 EHADRM CC(C)(C)OCc1ccc([N-]S(=O)(=O)c2ccsc2)cc1 ZINC000671660394 1127765345 /nfs/dbraw/zinc/76/53/45/1127765345.db2.gz FDNWNRMAMYROBG-UHFFFAOYSA-N -1 0 325.455 3.864 20 0 EHADRM COc1cc(F)ccc1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000026546565 1127772680 /nfs/dbraw/zinc/77/26/80/1127772680.db2.gz PVBZFIVDOZSHAO-UHFFFAOYSA-N -1 0 337.416 3.869 20 0 EHADRM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000033631761 1127867422 /nfs/dbraw/zinc/86/74/22/1127867422.db2.gz ZKIBNDQBSRKTHX-UHFFFAOYSA-N -1 0 341.436 3.505 20 0 EHADRM CC(C)Cc1nnc([N-]C(=O)c2cc(-c3cccc(F)c3)no2)s1 ZINC000041759544 1127877919 /nfs/dbraw/zinc/87/79/19/1127877919.db2.gz WSVMZWXBPNQZAS-UHFFFAOYSA-N -1 0 346.387 3.783 20 0 EHADRM Cn1ccc2c1cccc2C(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000077940527 1127885448 /nfs/dbraw/zinc/88/54/48/1127885448.db2.gz PORFMCDMBVBUGT-UHFFFAOYSA-N -1 0 348.811 3.525 20 0 EHADRM O=C(Nc1ccc(O)cc1Cl)c1ccc(Br)cc1[O-] ZINC000085204864 1127907425 /nfs/dbraw/zinc/90/74/25/1127907425.db2.gz BEDWJLOPFHYRBM-UHFFFAOYSA-N -1 0 342.576 3.766 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc(Oc3ccncc3)cc2)CCCC1 ZINC000065270097 1128186905 /nfs/dbraw/zinc/18/69/05/1128186905.db2.gz ACSDVQJAZMTDLH-UHFFFAOYSA-N -1 0 340.379 3.848 20 0 EHADRM CC(C)(C)c1cc2c([nH]c(Cc3cccc(C(=O)[O-])c3)nc2=O)s1 ZINC000069982120 1128293859 /nfs/dbraw/zinc/29/38/59/1128293859.db2.gz IJNHZWZZHMTRQQ-UHFFFAOYSA-N -1 0 342.420 3.571 20 0 EHADRM c1ccc(SC2(CN=c3[n-]nc(C4CCOCC4)s3)CC2)cc1 ZINC000338666731 1128352638 /nfs/dbraw/zinc/35/26/38/1128352638.db2.gz WCTXYIHTIAASGE-UHFFFAOYSA-N -1 0 347.509 3.591 20 0 EHADRM O=C([N-]S(=O)(=O)CC1CC1)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000073537026 1128393148 /nfs/dbraw/zinc/39/31/48/1128393148.db2.gz LOSGNJZWDMBMCI-MNOVXSKESA-N -1 0 348.251 3.793 20 0 EHADRM O=C(CSc1ccc2ccccc2c1)[N-]S(=O)(=O)CC1CC1 ZINC000073538125 1128394959 /nfs/dbraw/zinc/39/49/59/1128394959.db2.gz ZWZSNPZXIVVWIQ-UHFFFAOYSA-N -1 0 335.450 3.628 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)[N-]S(=O)(=O)CC2CC2)ccc1C(C)C ZINC000073538796 1128395610 /nfs/dbraw/zinc/39/56/10/1128395610.db2.gz BNGNAJGVLANELF-CYBMUJFWSA-N -1 0 339.457 3.582 20 0 EHADRM CCOC(=O)c1ccc(NC(=O)c2scnc2C(C)(C)C)c(O)c1 ZINC000089543835 1128423645 /nfs/dbraw/zinc/42/36/45/1128423645.db2.gz UAOFUUPIJWNSBZ-UHFFFAOYSA-N -1 0 348.424 3.575 20 0 EHADRM COCCOCc1ccc(N=c2nc(C3CCCC3)[n-]s2)cc1 ZINC000624680514 1128427452 /nfs/dbraw/zinc/42/74/52/1128427452.db2.gz WNRCTQANSLPYBH-UHFFFAOYSA-N -1 0 333.457 3.524 20 0 EHADRM C[C@@H](NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)c1csc2ccccc21 ZINC000780566182 1128474251 /nfs/dbraw/zinc/47/42/51/1128474251.db2.gz PZRKINAKSNMNEN-QMTHXVAHSA-N -1 0 334.441 3.761 20 0 EHADRM Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000106724537 1128509081 /nfs/dbraw/zinc/50/90/81/1128509081.db2.gz DUFSHBAGKVGRBI-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM Cc1ccnc([N-]S(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)n1 ZINC000542759651 1128583945 /nfs/dbraw/zinc/58/39/45/1128583945.db2.gz BIGAMFGKMVTPNE-UHFFFAOYSA-N -1 0 333.457 3.500 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)NCCCc2ccccc2)cc1 ZINC000108067203 1128591338 /nfs/dbraw/zinc/59/13/38/1128591338.db2.gz GGIWHMYQUQJSLG-DEOSSOPVSA-N -1 0 343.492 3.667 20 0 EHADRM Cc1cc(C)n(CCC(=O)Nc2cc(Cl)c([O-])c(Cl)c2)n1 ZINC000765859517 1128617615 /nfs/dbraw/zinc/61/76/15/1128617615.db2.gz NDCWJZOQRMTXFF-UHFFFAOYSA-N -1 0 328.199 3.541 20 0 EHADRM CCc1noc(CCCC(=O)Nc2cc(Cl)c([O-])c(Cl)c2)n1 ZINC000765864106 1128623283 /nfs/dbraw/zinc/62/32/83/1128623283.db2.gz XLDFUVSWYFKKDD-UHFFFAOYSA-N -1 0 344.198 3.606 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cccc(-c3nccn3C)c2)s1 ZINC000108638801 1128655146 /nfs/dbraw/zinc/65/51/46/1128655146.db2.gz KPUXPXZGCWSMAQ-UHFFFAOYSA-N -1 0 347.465 3.512 20 0 EHADRM Cc1ccc2nc([N-]S(=O)(=O)c3c(F)cccc3F)sc2c1 ZINC000057717560 1128662392 /nfs/dbraw/zinc/66/23/92/1128662392.db2.gz QPFOGTZZTQUPIA-UHFFFAOYSA-N -1 0 340.376 3.684 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000327292239 1128742167 /nfs/dbraw/zinc/74/21/67/1128742167.db2.gz NEOZPZRTNWAHJG-UGFHNGPFSA-N -1 0 345.370 3.738 20 0 EHADRM Fc1cccc([C@@H]2CC[C@@H](N=c3[n-]nc(C4CCOCC4)s3)C2)c1 ZINC000338720566 1128755274 /nfs/dbraw/zinc/75/52/74/1128755274.db2.gz YJTXFWFPDSXEEF-GDBMZVCRSA-N -1 0 347.459 3.741 20 0 EHADRM Cc1cc(S(=O)(=O)[O-])c(Nc2cc(Cl)ccc2N)cc1Cl ZINC001212437450 1128762161 /nfs/dbraw/zinc/76/21/61/1128762161.db2.gz LJUSBGNOOPSTCR-UHFFFAOYSA-N -1 0 347.223 3.874 20 0 EHADRM O=S(=O)([N-]c1nc(C2CC2)cs1)c1cccc2c1CCCC2 ZINC000748091986 1120033850 /nfs/dbraw/zinc/03/38/50/1120033850.db2.gz VJZBOWFEZCYNFW-UHFFFAOYSA-N -1 0 334.466 3.700 20 0 EHADRM C[C@@H]1CCC[C@H]1CNC(=O)c1cc(Cl)cc(Br)c1[O-] ZINC001650963707 1120047648 /nfs/dbraw/zinc/04/76/48/1120047648.db2.gz UCMAIASZNPBVPS-BDAKNGLRSA-N -1 0 346.652 3.974 20 0 EHADRM C[C@@H]1CCC[C@@H]1CNC(=O)c1cc(Cl)cc(Br)c1[O-] ZINC001650963712 1120048094 /nfs/dbraw/zinc/04/80/94/1120048094.db2.gz UCMAIASZNPBVPS-RKDXNWHRSA-N -1 0 346.652 3.974 20 0 EHADRM O=C(N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1)c1c(O)cccc1O ZINC001648849487 1120053847 /nfs/dbraw/zinc/05/38/47/1120053847.db2.gz OVERISWICGOHSF-OCCSQVGLSA-N -1 0 331.799 3.817 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1ccn(-c2ccc(F)cc2F)n1 ZINC000184840632 1120389179 /nfs/dbraw/zinc/38/91/79/1120389179.db2.gz JOLXPRQKEBFZTC-UHFFFAOYSA-N -1 0 349.724 3.762 20 0 EHADRM Cc1cc(C)c(NC(=O)CC(C)(C)CC(=O)[O-])cc1Br ZINC000185939409 1120436011 /nfs/dbraw/zinc/43/60/11/1120436011.db2.gz ZECIVFPEWZAYAQ-UHFFFAOYSA-N -1 0 342.233 3.895 20 0 EHADRM CSc1ccc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000013256028 1128919638 /nfs/dbraw/zinc/91/96/38/1128919638.db2.gz DNQAWTUUYKIUJJ-SFHVURJKSA-N -1 0 329.421 3.780 20 0 EHADRM O=C(c1nn(-c2ccccc2)cc1[O-])N1CCCCc2ccccc21 ZINC000162975627 1120556701 /nfs/dbraw/zinc/55/67/01/1120556701.db2.gz LQKWAKAGWQRFPS-UHFFFAOYSA-N -1 0 333.391 3.561 20 0 EHADRM CCC[C@@H](C)N(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O ZINC000494555345 1120593425 /nfs/dbraw/zinc/59/34/25/1120593425.db2.gz QAXHZEQARDBVKI-GFCCVEGCSA-N -1 0 336.432 4.000 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)sc1Cl ZINC000190221679 1120630125 /nfs/dbraw/zinc/63/01/25/1120630125.db2.gz IIRLJNHSEFZQPN-UHFFFAOYSA-N -1 0 326.830 3.992 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)sc1Cl ZINC000190287134 1120632204 /nfs/dbraw/zinc/63/22/04/1120632204.db2.gz IAZSLLGECYDJTP-UHFFFAOYSA-N -1 0 341.763 3.928 20 0 EHADRM COc1ccc(F)c([N-]S(=O)(=O)c2cc(C)c(Cl)s2)c1 ZINC000190319850 1120633590 /nfs/dbraw/zinc/63/35/90/1120633590.db2.gz RCGPBFMEJGLKQS-UHFFFAOYSA-N -1 0 335.809 3.658 20 0 EHADRM Cc1ncc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)s1 ZINC000443454766 1120675510 /nfs/dbraw/zinc/67/55/10/1120675510.db2.gz LGQIWEOSKIOMIY-UHFFFAOYSA-N -1 0 329.255 3.621 20 0 EHADRM CC[C@@H](C)Oc1cc(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)ccn1 ZINC000761671345 1120780467 /nfs/dbraw/zinc/78/04/67/1120780467.db2.gz RDXOHNAZYDIRGR-YSKGHYERSA-N -1 0 340.379 3.609 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)F)cc1F ZINC000195438888 1120784166 /nfs/dbraw/zinc/78/41/66/1120784166.db2.gz CVKGIAAQHHKKIF-UHFFFAOYSA-N -1 0 331.315 3.536 20 0 EHADRM CC(C)c1n[n-]c(=NC(=O)c2cc(-c3ccc(Cl)cc3)c[nH]2)s1 ZINC000495121693 1120963941 /nfs/dbraw/zinc/96/39/41/1120963941.db2.gz WIUMQEPLESZYBY-UHFFFAOYSA-N -1 0 346.843 3.984 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N2CCC[C@@H]2CCC(C)C)s1 ZINC000495144753 1120969037 /nfs/dbraw/zinc/96/90/37/1120969037.db2.gz CCZOWXRPFYRDCU-LLVKDONJSA-N -1 0 328.507 3.505 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)c1cnc(C(C)C)s1)C(=O)[O-] ZINC000761951203 1121015881 /nfs/dbraw/zinc/01/58/81/1121015881.db2.gz KZEBFOSBHUBTPU-MRXNPFEDSA-N -1 0 326.462 3.810 20 0 EHADRM C/C(=C/C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC000762231902 1121198982 /nfs/dbraw/zinc/19/89/82/1121198982.db2.gz UUPPQUCMDHEHQP-WLGQOEQESA-N -1 0 337.419 3.682 20 0 EHADRM C[C@H]1Sc2ccc(C(=O)Nc3cccc(Cl)c3[O-])cc2NC1=O ZINC000077012425 1128974853 /nfs/dbraw/zinc/97/48/53/1128974853.db2.gz LHVPHTJCLZCSPR-MRVPVSSYSA-N -1 0 348.811 3.731 20 0 EHADRM C[C@@H](NC(=O)c1cc(F)c([O-])c(F)c1)c1nc2ccccc2s1 ZINC000762604718 1121380434 /nfs/dbraw/zinc/38/04/34/1121380434.db2.gz JOKPDROYLCSVRB-MRVPVSSYSA-N -1 0 334.347 3.771 20 0 EHADRM Cc1csc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1Cl ZINC000236026484 1121436712 /nfs/dbraw/zinc/43/67/12/1121436712.db2.gz OMQZRMCLJPUKBR-VWYCJHECSA-N -1 0 327.833 3.568 20 0 EHADRM O=C(OCc1nc(C(F)(F)F)cs1)c1ccc([O-])c(Cl)c1 ZINC000762832038 1121452626 /nfs/dbraw/zinc/45/26/26/1121452626.db2.gz VTIMPMRTZGBTHW-UHFFFAOYSA-N -1 0 337.706 3.878 20 0 EHADRM Cc1ccc(NC(=O)COc2cccc(C(C)C)c2)cc1C(=O)[O-] ZINC000236797545 1121463722 /nfs/dbraw/zinc/46/37/22/1121463722.db2.gz YISPYAJBMAVTPG-UHFFFAOYSA-N -1 0 327.380 3.834 20 0 EHADRM COc1cc(-c2ccccc2)sc1C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000237284618 1121479857 /nfs/dbraw/zinc/47/98/57/1121479857.db2.gz CPACJPNVKRSUNT-CYBMUJFWSA-N -1 0 347.436 3.653 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])s1)c1ccc(C(F)(F)F)cc1 ZINC000237602163 1121489786 /nfs/dbraw/zinc/48/97/86/1121489786.db2.gz XCUZIRJWHMLMIL-QMMMGPOBSA-N -1 0 343.326 3.956 20 0 EHADRM Cc1cccc(OCCCCC(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000237711199 1121492754 /nfs/dbraw/zinc/49/27/54/1121492754.db2.gz LZSRFYAPONUDJM-UHFFFAOYSA-N -1 0 327.380 3.881 20 0 EHADRM Cc1ccc(/C=C/C(=O)Nc2ccccc2CC(=O)[O-])cc1Cl ZINC000237827756 1121496040 /nfs/dbraw/zinc/49/60/40/1121496040.db2.gz CNQCPZUMBHXYLV-CMDGGOBGSA-N -1 0 329.783 3.927 20 0 EHADRM CC(=O)Nc1cc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)ccc1C ZINC000762964833 1121617373 /nfs/dbraw/zinc/61/73/73/1121617373.db2.gz PNINLKSXLMEWIA-UHFFFAOYSA-N -1 0 341.392 3.636 20 0 EHADRM O=C(C=Cc1cnc2ccccc2n1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000763000860 1121648575 /nfs/dbraw/zinc/64/85/75/1121648575.db2.gz MOHZJXTWOPFALK-VURMDHGXSA-N -1 0 348.387 3.712 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@H]2CCCc3sccc32)c1 ZINC000322870900 1121679343 /nfs/dbraw/zinc/67/93/43/1121679343.db2.gz YBGPEQHBSVGUOV-HNNXBMFYSA-N -1 0 329.421 3.824 20 0 EHADRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc2cc[nH]c21 ZINC000082345723 1121715066 /nfs/dbraw/zinc/71/50/66/1121715066.db2.gz OVJVZXJCQHOMDZ-UHFFFAOYSA-N -1 0 336.800 3.631 20 0 EHADRM CCCOc1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1 ZINC000169875003 1121720767 /nfs/dbraw/zinc/72/07/67/1121720767.db2.gz WLGPQKFHFUTTNS-UHFFFAOYSA-N -1 0 325.817 3.930 20 0 EHADRM CCSc1ccccc1CCNC(=O)c1c([O-])cc(F)cc1F ZINC001649025776 1121849819 /nfs/dbraw/zinc/84/98/19/1121849819.db2.gz ANWWCRGLMQBSBI-UHFFFAOYSA-N -1 0 337.391 3.755 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H](C)CC(C)(C)C)c(C)c1 ZINC000916655118 1122244522 /nfs/dbraw/zinc/24/45/22/1122244522.db2.gz RQUFVHWNBZRVIG-CYBMUJFWSA-N -1 0 325.474 3.571 20 0 EHADRM CCc1cc(=O)[nH]c(CS[C@@H](C)c2nc(-c3cccs3)no2)n1 ZINC000125697114 1122325192 /nfs/dbraw/zinc/32/51/92/1122325192.db2.gz HPFQTGBQZPGZSL-VIFPVBQESA-N -1 0 348.453 3.851 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)/C=C\c2cccs2)c1C ZINC000916804681 1122351248 /nfs/dbraw/zinc/35/12/48/1122351248.db2.gz OTRATDJCAYZJKT-FPLPWBNLSA-N -1 0 349.477 3.500 20 0 EHADRM O=S(=O)([N-]c1cccc(OCCF)c1)c1c(F)cccc1Cl ZINC000126279001 1122398922 /nfs/dbraw/zinc/39/89/22/1122398922.db2.gz NNJVVONCQGQNJQ-UHFFFAOYSA-N -1 0 347.770 3.628 20 0 EHADRM Cc1ccc(C)c([C@@H]2CN(C(=O)c3c([O-])cccc3F)[C@H](C)CO2)c1 ZINC000126536664 1122411401 /nfs/dbraw/zinc/41/14/01/1122411401.db2.gz HKJCWSJTBULUFX-KDOFPFPSSA-N -1 0 343.398 3.750 20 0 EHADRM Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000126554991 1122412520 /nfs/dbraw/zinc/41/25/20/1122412520.db2.gz OQMIPCBWBIOTRR-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM Cc1cccnc1[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000128166041 1122535157 /nfs/dbraw/zinc/53/51/57/1122535157.db2.gz ZPMLOITWQHQAPV-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM O=C([O-])c1cccnc1N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000917369696 1122588071 /nfs/dbraw/zinc/58/80/71/1122588071.db2.gz OJENUCQEDDMYLX-GFCCVEGCSA-N -1 0 339.420 3.774 20 0 EHADRM CC(C)Cc1nc(=Nc2cn(CC(C)C)nc2C(F)F)s[n-]1 ZINC000497751176 1122656518 /nfs/dbraw/zinc/65/65/18/1122656518.db2.gz OAJQRXXYYMBFFS-UHFFFAOYSA-N -1 0 329.420 3.692 20 0 EHADRM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1ccccc1 ZINC000917841529 1122692178 /nfs/dbraw/zinc/69/21/78/1122692178.db2.gz UIWSOYXWQCNFMI-ZDUSSCGKSA-N -1 0 347.436 3.548 20 0 EHADRM Cc1ccc(/C=C/S(=O)(=O)[N-]c2nc3c(s2)CCCC3)cc1 ZINC000917869276 1122700688 /nfs/dbraw/zinc/70/06/88/1122700688.db2.gz JVUDQWGHAZSBBH-ZHACJKMWSA-N -1 0 334.466 3.743 20 0 EHADRM O=S(=O)(/C=C\c1ccccc1)[N-][C@@H](c1ccccc1)C(F)(F)F ZINC000917905308 1122706389 /nfs/dbraw/zinc/70/63/89/1122706389.db2.gz DQYITWHCXFYCME-SSCKCOOKSA-N -1 0 341.354 3.880 20 0 EHADRM Cc1ccc([C@H]2CCCCCN2C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)o1 ZINC000262687309 1122715620 /nfs/dbraw/zinc/71/56/20/1122715620.db2.gz CXMLKVLJSVIGCF-BZUAXINKSA-N -1 0 333.428 3.923 20 0 EHADRM Cc1ccc(C)c([C@H]2CCCN2C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c1 ZINC000262713306 1122772997 /nfs/dbraw/zinc/77/29/97/1122772997.db2.gz MLGUMZARNQMTNY-JFIYKMOQSA-N -1 0 329.440 3.858 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])NC(=O)c2cc(C(C)C)oc2C)c1 ZINC000556219449 1122884689 /nfs/dbraw/zinc/88/46/89/1122884689.db2.gz QAYPTZDETUUZFG-MRXNPFEDSA-N -1 0 345.395 3.666 20 0 EHADRM O=C([O-])[C@@]1([NH2+]Cc2cc(Cl)ccc2F)CCc2c1cccc2F ZINC000556320792 1122925371 /nfs/dbraw/zinc/92/53/71/1122925371.db2.gz DISLIYNUCJWFEY-QGZVFWFLSA-N -1 0 337.753 3.634 20 0 EHADRM Cc1cc(-c2csc(NC(=O)c3ccc(O)cc3O)n2)c(C)o1 ZINC000556382898 1122960521 /nfs/dbraw/zinc/96/05/21/1122960521.db2.gz HBLOWSKHRFSSTE-UHFFFAOYSA-N -1 0 330.365 3.683 20 0 EHADRM Cc1cnccc1NC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000072913011 1123176264 /nfs/dbraw/zinc/17/62/64/1123176264.db2.gz QJOUFWXWJCFIDS-UHFFFAOYSA-N -1 0 341.592 3.764 20 0 EHADRM O=C(Nc1ccc(NC(=O)c2ccc(Cl)cc2[O-])cc1)NC1CC1 ZINC000073801450 1123222016 /nfs/dbraw/zinc/22/20/16/1123222016.db2.gz SWSNMSQHFGVSJT-UHFFFAOYSA-N -1 0 345.786 3.582 20 0 EHADRM CC(C)CN=c1[n-]nc(SCc2ccn(-c3ccccc3)n2)s1 ZINC000499242521 1123292971 /nfs/dbraw/zinc/29/29/71/1123292971.db2.gz GXNBEWQNLVWTGT-UHFFFAOYSA-N -1 0 345.497 3.506 20 0 EHADRM CC(C)Oc1ccc([C@H](C)NC(=O)c2c([O-])cc(F)cc2F)cc1 ZINC000066044329 1129125760 /nfs/dbraw/zinc/12/57/60/1129125760.db2.gz JSJPMZMNWOWUHE-NSHDSACASA-N -1 0 335.350 3.949 20 0 EHADRM COc1ccc2nc(NC(=O)c3c([O-])cc(F)cc3F)sc2c1 ZINC000066042853 1129125804 /nfs/dbraw/zinc/12/58/04/1129125804.db2.gz UGXAFKCJRYBJCJ-UHFFFAOYSA-N -1 0 336.319 3.541 20 0 EHADRM C[C@H]1CCC[C@H](CC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)C1 ZINC000237537255 1123524132 /nfs/dbraw/zinc/52/41/32/1123524132.db2.gz OTSXPPUSCCZPKW-RYUDHWBXSA-N -1 0 339.819 3.958 20 0 EHADRM O=C(Nc1ccc(OC(F)F)c(F)c1)c1c([O-])cc(F)cc1F ZINC000066047468 1129127679 /nfs/dbraw/zinc/12/76/79/1129127679.db2.gz LKVSYGHCLLNOQS-UHFFFAOYSA-N -1 0 333.212 3.663 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3ncccc3c2)c1 ZINC000135929513 1123654113 /nfs/dbraw/zinc/65/41/13/1123654113.db2.gz URJKKORMHLQPFX-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(Cl)cc2)cnn1CCC(C)C ZINC000137782378 1123776562 /nfs/dbraw/zinc/77/65/62/1123776562.db2.gz WYDJLYYCZFFUMK-UHFFFAOYSA-N -1 0 341.864 3.692 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2[C@H](C)CCC2(C)C)n1 ZINC000616178830 1123958455 /nfs/dbraw/zinc/95/84/55/1123958455.db2.gz HAQMFWIFEFRWDR-CYBMUJFWSA-N -1 0 327.428 3.543 20 0 EHADRM CCn1cc(C(=O)NCCCCCCCC(=O)[O-])c2ccccc21 ZINC000180252800 1123970532 /nfs/dbraw/zinc/97/05/32/1123970532.db2.gz OVPNSKCHPUWMEA-UHFFFAOYSA-N -1 0 330.428 3.816 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1F)C(F)(F)F ZINC000263562910 1124485849 /nfs/dbraw/zinc/48/58/49/1124485849.db2.gz DAGWLFOTIGEGTL-LLVKDONJSA-N -1 0 335.297 3.621 20 0 EHADRM CCc1oc(C(=O)N2CC3(CCC3)c3ccccc32)cc1C(=O)[O-] ZINC000263565238 1124495289 /nfs/dbraw/zinc/49/52/89/1124495289.db2.gz FJKBAXYGTJHRTC-UHFFFAOYSA-N -1 0 325.364 3.622 20 0 EHADRM O=C(N=c1cc(-c2cccs2)[nH][nH]1)c1cc2cc(Cl)ccc2[nH]1 ZINC000617365610 1124500046 /nfs/dbraw/zinc/50/00/46/1124500046.db2.gz ADCWKWVVZIKGHB-UHFFFAOYSA-N -1 0 342.811 3.947 20 0 EHADRM Cc1ccccc1OCCCC(=O)N=c1cc(-c2cccs2)[nH][nH]1 ZINC000617365993 1124500125 /nfs/dbraw/zinc/50/01/25/1124500125.db2.gz QRSHSLFBZXAFIF-UHFFFAOYSA-N -1 0 341.436 3.666 20 0 EHADRM O=S(=O)([N-]c1cccc(OC(F)F)c1)c1cc2ccccc2o1 ZINC000084920220 1124604696 /nfs/dbraw/zinc/60/46/96/1124604696.db2.gz CHYABYAJTSYLQQ-UHFFFAOYSA-N -1 0 339.319 3.835 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1 ZINC000250597149 1124820877 /nfs/dbraw/zinc/82/08/77/1124820877.db2.gz SYKLLBZSPGBCFX-UAGQMJEPSA-N -1 0 329.440 3.842 20 0 EHADRM O=C(Nc1ccccc1OCC1CC1)c1nn(-c2ccccc2)cc1[O-] ZINC000162994029 1124870230 /nfs/dbraw/zinc/87/02/30/1124870230.db2.gz DSDZYBKCUGPGBA-UHFFFAOYSA-N -1 0 349.390 3.619 20 0 EHADRM O=C1c2cc(F)cc([N+](=O)[O-])c2OC/C1=C/c1ccc([O-])c(Cl)c1 ZINC000181481025 1124871446 /nfs/dbraw/zinc/87/14/46/1124871446.db2.gz CDJCMXFUGBMUOD-OQFOIZHKSA-N -1 0 349.701 3.752 20 0 EHADRM O=S(=O)([N-]c1scnc1-c1ccccc1)c1cccc(F)c1 ZINC000091055236 1124952851 /nfs/dbraw/zinc/95/28/51/1124952851.db2.gz HYSKSLAWVWASFJ-UHFFFAOYSA-N -1 0 334.397 3.750 20 0 EHADRM CC(C)Cc1nc(=NC(=O)c2cccc(C(F)(F)F)c2F)s[n-]1 ZINC000618348701 1125057493 /nfs/dbraw/zinc/05/74/93/1125057493.db2.gz YFJCGDZAKYIZDG-UHFFFAOYSA-N -1 0 347.337 3.569 20 0 EHADRM COc1ccc([C@@H]2CCCN2C(=O)c2c([O-])cccc2F)cc1F ZINC000618389190 1125065420 /nfs/dbraw/zinc/06/54/20/1125065420.db2.gz KYODJJJRHMZHOC-AWEZNQCLSA-N -1 0 333.334 3.656 20 0 EHADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)c1sccc1-c1ccc(C)cc1 ZINC000181873142 1125065895 /nfs/dbraw/zinc/06/58/95/1125065895.db2.gz NPXBVCQMHKUJBS-LBPRGKRZSA-N -1 0 337.466 3.582 20 0 EHADRM COc1cccc(N=c2[n-]nc(S[C@H]3C[C@H](C)CCC3=O)s2)c1 ZINC000450611519 1125166421 /nfs/dbraw/zinc/16/64/21/1125166421.db2.gz ISCZXCBCSCQESG-YGRLFVJLSA-N -1 0 349.481 3.562 20 0 EHADRM CCCC[C@@H](CC)CC(=O)[N-]S(=O)(=O)c1cc(C)sc1C ZINC000735399259 1131342183 /nfs/dbraw/zinc/34/21/83/1131342183.db2.gz KCRJIKDYWYZXFR-CYBMUJFWSA-N -1 0 331.503 3.776 20 0 EHADRM Cc1nc([S-])sc1CC(=O)Nc1nc2ccsc2s1 ZINC000735483415 1131349010 /nfs/dbraw/zinc/34/90/10/1131349010.db2.gz VBMKJDUWFZPYFX-UHFFFAOYSA-N -1 0 327.481 3.593 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000262160125 1125409523 /nfs/dbraw/zinc/40/95/23/1125409523.db2.gz PSQBNGPVOYIPEI-GYSYKLTISA-N -1 0 342.222 3.768 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000262160126 1125409605 /nfs/dbraw/zinc/40/96/05/1125409605.db2.gz PSQBNGPVOYIPEI-JTNHKYCSSA-N -1 0 342.222 3.768 20 0 EHADRM CCCc1ccc(C(=O)N=c2[n-]nc(Cc3ccccc3)s2)cc1 ZINC000619896665 1125425314 /nfs/dbraw/zinc/42/53/14/1125425314.db2.gz KAJGIKALKRLIIZ-UHFFFAOYSA-N -1 0 337.448 3.756 20 0 EHADRM O=C(N=c1[n-]nc(C(F)F)s1)c1cc2ccc(F)cc2s1 ZINC000619916494 1125432083 /nfs/dbraw/zinc/43/20/83/1125432083.db2.gz CNRNLYOFAFUNCU-UHFFFAOYSA-N -1 0 329.328 3.504 20 0 EHADRM Cc1ccc2cccc([N-]S(=O)(=O)c3cc(F)cc(F)c3)c2n1 ZINC000066587602 1129189219 /nfs/dbraw/zinc/18/92/19/1129189219.db2.gz NKTAXEFDWYWIHU-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2CCCC[C@H]2c2ccccc2)c(F)c1 ZINC000478855833 1129280819 /nfs/dbraw/zinc/28/08/19/1129280819.db2.gz MTSUWRKEMDEVDB-YJBOKZPZSA-N -1 0 341.382 3.980 20 0 EHADRM O=C(/C=C/C1CCCCC1)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000735592734 1131364501 /nfs/dbraw/zinc/36/45/01/1131364501.db2.gz DORFJDSWQCOISJ-JLHYYAGUSA-N -1 0 347.480 3.507 20 0 EHADRM CSc1c(F)cc([N-]S(=O)(=O)c2sccc2C)cc1F ZINC000543165321 1129307737 /nfs/dbraw/zinc/30/77/37/1129307737.db2.gz BIWMCPLSBIXDGF-UHFFFAOYSA-N -1 0 335.422 3.857 20 0 EHADRM CC(C)(C)n1cnc(=NC(=O)c2ccc(C3CCCCC3)cc2)[n-]1 ZINC000543173003 1129312633 /nfs/dbraw/zinc/31/26/33/1129312633.db2.gz LINDLGSZGVAPLO-UHFFFAOYSA-N -1 0 326.444 3.755 20 0 EHADRM CN(Cc1cccc2ccccc21)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000358609692 1129405779 /nfs/dbraw/zinc/40/57/79/1129405779.db2.gz KMEQNCIWRWEZJW-UHFFFAOYSA-N -1 0 337.350 3.949 20 0 EHADRM Cc1cccc(CCN=c2[n-]nc(-c3ccccc3Cl)s2)n1 ZINC000480513831 1129462910 /nfs/dbraw/zinc/46/29/10/1129462910.db2.gz RXPKYQFEYIVLFW-UHFFFAOYSA-N -1 0 330.844 3.638 20 0 EHADRM Fc1ccc(Cc2n[n-]c(=NC3CCC(F)(F)CC3)s2)cc1 ZINC000543434639 1129486379 /nfs/dbraw/zinc/48/63/79/1129486379.db2.gz BRRVRWPOWWEJFS-UHFFFAOYSA-N -1 0 327.375 3.680 20 0 EHADRM CCOc1ccc(CN(C)C(=O)c2ccc3[n-]c(=S)oc3c2)cc1 ZINC000735836799 1131383308 /nfs/dbraw/zinc/38/33/08/1131383308.db2.gz IYQVQYGWVYFFIU-UHFFFAOYSA-N -1 0 342.420 3.787 20 0 EHADRM O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc2[n-]c(=S)oc2c1 ZINC000735880026 1131384644 /nfs/dbraw/zinc/38/46/44/1131384644.db2.gz LIDFENPTLQUMFC-UHFFFAOYSA-N -1 0 328.437 3.815 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)C2(c3cccc(Cl)c3)CC2)cc1 ZINC000347735436 1129668854 /nfs/dbraw/zinc/66/88/54/1129668854.db2.gz OOOZACRYTVYMKX-UHFFFAOYSA-N -1 0 329.783 3.637 20 0 EHADRM Cc1nn(C)c(Cl)c1/C=C\c1ccc2cc(C(=O)[O-])ccc2n1 ZINC000766007740 1129714925 /nfs/dbraw/zinc/71/49/25/1129714925.db2.gz NZZFGPNZHAIBFD-SREVYHEPSA-N -1 0 327.771 3.799 20 0 EHADRM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1c([O-])cc(F)cc1F ZINC000673756051 1129831514 /nfs/dbraw/zinc/83/15/14/1129831514.db2.gz IVMXHPFLBICALN-TZMCWYRMSA-N -1 0 331.362 3.764 20 0 EHADRM O=C([O-])c1ccc(Nc2snnc2-c2ccccc2)c(F)c1F ZINC001212510993 1129871222 /nfs/dbraw/zinc/87/12/22/1129871222.db2.gz MWGVKXPUAKYJLE-UHFFFAOYSA-N -1 0 333.319 3.925 20 0 EHADRM CC[C@H](C)CN(C)c1ccc(F)cc1CN=c1[n-]nc(C2CC2)o1 ZINC000347825200 1129889536 /nfs/dbraw/zinc/88/95/36/1129889536.db2.gz RZEHZIMWAFLVGX-LBPRGKRZSA-N -1 0 332.423 3.602 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(-c3ccccc3)cnn2)c(F)c1F ZINC001212512441 1129920703 /nfs/dbraw/zinc/92/07/03/1129920703.db2.gz MNQLCOBUHHADFC-UHFFFAOYSA-N -1 0 327.290 3.864 20 0 EHADRM CC1(C)Oc2cc(Nc3ccc(C(=O)[O-])c(F)c3F)ccc2NC1=O ZINC001212514097 1129924745 /nfs/dbraw/zinc/92/47/45/1129924745.db2.gz BSQPZHYPSBAWLN-UHFFFAOYSA-N -1 0 348.305 3.516 20 0 EHADRM Cc1nccn1-c1ccc(Nc2ccc(C(=O)[O-])c(F)c2F)cc1 ZINC001212513513 1129925369 /nfs/dbraw/zinc/92/53/69/1129925369.db2.gz UQIQWGOKXLPKIN-UHFFFAOYSA-N -1 0 329.306 3.901 20 0 EHADRM O=C(NC[C@@H]1C[C@H]1c1cccnc1)c1c([O-])cc(Cl)cc1Cl ZINC000670442883 1129933911 /nfs/dbraw/zinc/93/39/11/1129933911.db2.gz ZAZHXJMDLUCVAI-JQWIXIFHSA-N -1 0 337.206 3.628 20 0 EHADRM C[C@@H](CC(=O)N=c1ccc(-c2ccccc2)n[n-]1)c1ccccc1F ZINC000466621792 1129980467 /nfs/dbraw/zinc/98/04/67/1129980467.db2.gz UNIUJNFHRLYLOX-AWEZNQCLSA-N -1 0 335.382 3.837 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)N=c2ccc(-c3ccccc3)n[n-]2)cc1 ZINC000466622857 1129983022 /nfs/dbraw/zinc/98/30/22/1129983022.db2.gz JCRLSEZQPVJXPN-HNNXBMFYSA-N -1 0 347.418 3.706 20 0 EHADRM C[C@@H](C(=O)N=c1ccc(-c2ccccc2)n[n-]1)c1cccc(Cl)c1 ZINC000466627200 1129992009 /nfs/dbraw/zinc/99/20/09/1129992009.db2.gz JBPVUVXPYPVHQH-CYBMUJFWSA-N -1 0 337.810 3.961 20 0 EHADRM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2cc(C(C)(C)C)no2)c1 ZINC000674237232 1130033070 /nfs/dbraw/zinc/03/30/70/1130033070.db2.gz NDONFNLLCNGHRS-UHFFFAOYSA-N -1 0 345.424 3.630 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccnn2[C@H](C)C2CC2)c(Cl)c1 ZINC000171342945 1130048026 /nfs/dbraw/zinc/04/80/26/1130048026.db2.gz KBXMULJFSJCUNV-LLVKDONJSA-N -1 0 339.848 3.617 20 0 EHADRM COc1ccc(Cl)c(NS(=O)(=O)c2cccc3cccnc32)c1 ZINC000172199148 1130114844 /nfs/dbraw/zinc/11/48/44/1130114844.db2.gz HZIAINGNPWRSAV-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1c([O-])cc(F)cc1F ZINC000674605946 1130144495 /nfs/dbraw/zinc/14/44/95/1130144495.db2.gz GAUWXCACTPNUME-DTWKUNHWSA-N -1 0 337.288 3.769 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N(CCC(=O)[O-])CC1CC1 ZINC000674996022 1130238269 /nfs/dbraw/zinc/23/82/69/1130238269.db2.gz XWXPEZDVRQTHHB-UHFFFAOYSA-N -1 0 335.400 3.676 20 0 EHADRM CC(C)(Cc1ccc(Cl)cc1Cl)NC(=O)CC(C)(C)C(=O)[O-] ZINC000674996028 1130238376 /nfs/dbraw/zinc/23/83/76/1130238376.db2.gz YOKLXNHKUBKWHR-UHFFFAOYSA-N -1 0 346.254 3.932 20 0 EHADRM CC(C)(CC(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1)C(=O)[O-] ZINC000675000436 1130238457 /nfs/dbraw/zinc/23/84/57/1130238457.db2.gz STEZMMLKSDOKGF-UHFFFAOYSA-N -1 0 330.211 3.600 20 0 EHADRM CC1(C)Cc2cc(NC(=O)C[C@H](C(=O)[O-])c3ccccc3)ccc2O1 ZINC000675220731 1130287037 /nfs/dbraw/zinc/28/70/37/1130287037.db2.gz CDUNSWWTRLGUAL-INIZCTEOSA-N -1 0 339.391 3.597 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccn([C@H](C)c3ccccc3)n2)c1 ZINC000675284468 1130299618 /nfs/dbraw/zinc/29/96/18/1130299618.db2.gz CQCKVLVNSXIVIR-OAHLLOKOSA-N -1 0 341.436 3.602 20 0 EHADRM N#Cc1cccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000016147442 1130352094 /nfs/dbraw/zinc/35/20/94/1130352094.db2.gz LDIHSFPWNPOKKF-UHFFFAOYSA-N -1 0 327.192 3.666 20 0 EHADRM Cc1ccccc1[C@H]1CN(C(=O)c2c([O-])cc(F)cc2F)[C@H](C)CO1 ZINC000174345349 1130353151 /nfs/dbraw/zinc/35/31/51/1130353151.db2.gz VOMJMOLNWBMQMR-SJKOYZFVSA-N -1 0 347.361 3.581 20 0 EHADRM Cc1c(NC(=O)C[C@]2(C(=O)[O-])CCSC2)cccc1C(F)(F)F ZINC000675431707 1130368267 /nfs/dbraw/zinc/36/82/67/1130368267.db2.gz QUZDGLGDAYETSY-CQSZACIVSA-N -1 0 347.358 3.550 20 0 EHADRM Cc1ccc(-c2ncc(C(=O)N[C@H](CC(C)C)C(=O)[O-])s2)c(C)c1 ZINC000675966625 1130510907 /nfs/dbraw/zinc/51/09/07/1130510907.db2.gz MTIBAWZBJXUYHI-CQSZACIVSA-N -1 0 346.452 3.656 20 0 EHADRM Cc1c(C(=O)N(CCC(=O)[O-])CC2CC2)oc2c1c(C)ccc2C ZINC000675971374 1130512375 /nfs/dbraw/zinc/51/23/75/1130512375.db2.gz SUCSARVVHPOMSR-UHFFFAOYSA-N -1 0 329.396 3.685 20 0 EHADRM Cc1cc(CNC(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])[nH]n1 ZINC000676150311 1130537700 /nfs/dbraw/zinc/53/77/00/1130537700.db2.gz OLXMZMOPBBLFEA-UHFFFAOYSA-N -1 0 341.798 3.674 20 0 EHADRM CCCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000727950210 1130612281 /nfs/dbraw/zinc/61/22/81/1130612281.db2.gz MSKQNPJTMSUWRQ-OAHLLOKOSA-N -1 0 325.474 3.797 20 0 EHADRM CCCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000727952639 1130612488 /nfs/dbraw/zinc/61/24/88/1130612488.db2.gz NUURRBVDHSBQER-LBPRGKRZSA-N -1 0 347.427 3.766 20 0 EHADRM O=C(Nc1ccc2nc(C3CC3)oc2c1)c1c([O-])cc(F)cc1F ZINC000175279409 1130711639 /nfs/dbraw/zinc/71/16/39/1130711639.db2.gz RVWVERAKCJGIKX-UHFFFAOYSA-N -1 0 330.290 3.941 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)on1 ZINC000175653190 1130772269 /nfs/dbraw/zinc/77/22/69/1130772269.db2.gz NQQKPPJFDYHCQY-UHFFFAOYSA-N -1 0 332.784 3.565 20 0 EHADRM CCC/C(C)=C\C(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000732613968 1130942095 /nfs/dbraw/zinc/94/20/95/1130942095.db2.gz UXFGLIUKOCZTQB-PFONDFGASA-N -1 0 343.448 3.905 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)c1n[n-]c2ccccc2c1=O)C1CC1 ZINC000732833617 1130961602 /nfs/dbraw/zinc/96/16/02/1130961602.db2.gz CRXSJMZTJIODQT-KRWDZBQOSA-N -1 0 333.391 3.525 20 0 EHADRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)CCCCCc1cccs1 ZINC000732906156 1130969593 /nfs/dbraw/zinc/96/95/93/1130969593.db2.gz NHYNDHFPXPDMSA-AWEZNQCLSA-N -1 0 345.530 3.733 20 0 EHADRM O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1ccc(Cl)cc1[O-] ZINC000732943347 1130975129 /nfs/dbraw/zinc/97/51/29/1130975129.db2.gz HPCSQUSIDZOCMZ-UHFFFAOYSA-N -1 0 349.774 3.956 20 0 EHADRM CC(C)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000733680377 1131067024 /nfs/dbraw/zinc/06/70/24/1131067024.db2.gz NZSXHNQDUWTBRR-AWEZNQCLSA-N -1 0 337.485 3.831 20 0 EHADRM CC[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000734081093 1131194524 /nfs/dbraw/zinc/19/45/24/1131194524.db2.gz IOBZYSIUFWKZRQ-HNNXBMFYSA-N -1 0 329.506 3.762 20 0 EHADRM C[C@@H]1COCCN1c1ccc(NC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000737730059 1131454868 /nfs/dbraw/zinc/45/48/68/1131454868.db2.gz LTJULMNNQQBNFV-GFCCVEGCSA-N -1 0 346.814 3.523 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)c2cc3cccc(F)c3o2)cc1 ZINC000738560643 1131471272 /nfs/dbraw/zinc/47/12/72/1131471272.db2.gz VGVOKNFYTXWVMW-TWGQIWQCSA-N -1 0 325.295 3.922 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)C2(c3ccccc3F)CC2)cc1 ZINC000738556422 1131472111 /nfs/dbraw/zinc/47/21/11/1131472111.db2.gz BPCPQADTIGKJRV-YFHOEESVSA-N -1 0 325.339 3.594 20 0 EHADRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)C[C@H](CC)c1ccc(C)cc1 ZINC000739184300 1131493268 /nfs/dbraw/zinc/49/32/68/1131493268.db2.gz RVNIXTBWLKAGLM-HOTGVXAUSA-N -1 0 339.501 3.761 20 0 EHADRM CCCS(=O)(=O)[N-]C(=O)c1ccc(-c2ccc(C)c(C)c2)cc1F ZINC000739192187 1131493408 /nfs/dbraw/zinc/49/34/08/1131493408.db2.gz LNCIJWDOBNHHKG-UHFFFAOYSA-N -1 0 349.427 3.579 20 0 EHADRM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1csc2ccccc12 ZINC000737349328 1131495460 /nfs/dbraw/zinc/49/54/60/1131495460.db2.gz USVCFYDKXLZHSQ-LBPRGKRZSA-N -1 0 345.445 3.722 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](CC(C)C)c2ccccc2)cc1 ZINC000741108641 1131576786 /nfs/dbraw/zinc/57/67/86/1131576786.db2.gz YBDTYUQZZPNURY-GOSISDBHSA-N -1 0 345.464 3.630 20 0 EHADRM CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1 ZINC000744166861 1132030021 /nfs/dbraw/zinc/03/00/21/1132030021.db2.gz WHDWDLNVFCPSQY-GJZGRUSLSA-N -1 0 325.474 3.800 20 0 EHADRM CC(C)(C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000737571737 1132241637 /nfs/dbraw/zinc/24/16/37/1132241637.db2.gz OOITZYDVFIJUPC-XGICHPGQSA-N -1 0 327.355 3.840 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCCC2CCCCC2)c(F)c1 ZINC000745966315 1132340703 /nfs/dbraw/zinc/34/07/03/1132340703.db2.gz IHFBTLWPSWVFQJ-UHFFFAOYSA-N -1 0 341.448 3.690 20 0 EHADRM Cc1nc(Nc2cccc(/C=C/C(=O)[O-])c2)nc(C)c1Br ZINC001174495799 1132372347 /nfs/dbraw/zinc/37/23/47/1132372347.db2.gz WZFVVBYOZJREBW-VOTSOKGWSA-N -1 0 348.200 3.697 20 0 EHADRM COc1cccc(F)c1[C@H](C)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000746305843 1132402489 /nfs/dbraw/zinc/40/24/89/1132402489.db2.gz BFXFUEDIYLGEIH-VIFPVBQESA-N -1 0 346.383 3.755 20 0 EHADRM COC(=O)c1cc(Nc2ccc(C(=O)[O-])cc2OC)c(Cl)s1 ZINC001174670108 1132432182 /nfs/dbraw/zinc/43/21/82/1132432182.db2.gz HIEMFDKNGOCVGZ-UHFFFAOYSA-N -1 0 341.772 3.639 20 0 EHADRM COc1cccc(-c2cc(Nc3ccc(C(=O)[O-])cc3OC)on2)c1 ZINC001174670228 1132432199 /nfs/dbraw/zinc/43/21/99/1132432199.db2.gz IGDXXVOAJSWNBX-UHFFFAOYSA-N -1 0 340.335 3.801 20 0 EHADRM COC(=O)c1cc(Nc2ccc(C(=O)[O-])cc2OC)ccc1Cl ZINC001174676057 1132432791 /nfs/dbraw/zinc/43/27/91/1132432791.db2.gz DOFZLZJZYLCKTN-UHFFFAOYSA-N -1 0 335.743 3.577 20 0 EHADRM COc1cc(F)c(Cl)cc1Nc1ccc(C(=O)[O-])cc1OC ZINC001174675858 1132432809 /nfs/dbraw/zinc/43/28/09/1132432809.db2.gz UNMWJMOTDVNKQB-UHFFFAOYSA-N -1 0 325.723 3.938 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1nc(F)c(F)c(Cl)c1F ZINC001174677997 1132433824 /nfs/dbraw/zinc/43/38/24/1132433824.db2.gz WAXHJQKGSYMNCU-UHFFFAOYSA-N -1 0 332.665 3.603 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc(Oc2ncccn2)cc1 ZINC001174678158 1132433935 /nfs/dbraw/zinc/43/39/35/1132433935.db2.gz YLFDDPOLCJRRPN-UHFFFAOYSA-N -1 0 337.335 3.719 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1c(F)cccc1N1CCCC1 ZINC001174679875 1132434659 /nfs/dbraw/zinc/43/46/59/1132434659.db2.gz JCTCCCIDYIRGRN-UHFFFAOYSA-N -1 0 330.359 3.876 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cc(OC(F)(F)F)ccc1O ZINC001174680271 1132434966 /nfs/dbraw/zinc/43/49/66/1132434966.db2.gz SJORINFTNIBRLI-UHFFFAOYSA-N -1 0 343.257 3.741 20 0 EHADRM COc1cc(Nc2ccc(Br)c(C)n2)ccc1C(=O)[O-] ZINC001174679608 1132434977 /nfs/dbraw/zinc/43/49/77/1132434977.db2.gz XXPCPAVEWKMLLE-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM COc1cc(Nc2c(C)ccnc2Br)ccc1C(=O)[O-] ZINC001174682112 1132435095 /nfs/dbraw/zinc/43/50/95/1132435095.db2.gz DNDHFDINTJETKY-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM COc1cc(Nc2cc(Br)ccc2O)ccc1C(=O)[O-] ZINC001174684996 1132435688 /nfs/dbraw/zinc/43/56/88/1132435688.db2.gz KOZUPTJSTCWQNY-UHFFFAOYSA-N -1 0 338.157 3.605 20 0 EHADRM COc1cc(Nc2ccnn2-c2cccc(Cl)c2)ccc1C(=O)[O-] ZINC001174684706 1132435721 /nfs/dbraw/zinc/43/57/21/1132435721.db2.gz WJOSIODKNPXONT-UHFFFAOYSA-N -1 0 343.770 3.976 20 0 EHADRM CCc1nc(Cl)c(Nc2ccc(C(=O)[O-])c(OC)c2)c(Cl)n1 ZINC001174684693 1132435745 /nfs/dbraw/zinc/43/57/45/1132435745.db2.gz VUFBQMWPNSLKLA-UHFFFAOYSA-N -1 0 342.182 3.796 20 0 EHADRM COc1cc(Nc2ccc(Cn3ccnc3C)cc2)ccc1C(=O)[O-] ZINC001174685022 1132435842 /nfs/dbraw/zinc/43/58/42/1132435842.db2.gz LYKBUSJQFRJYKE-UHFFFAOYSA-N -1 0 337.379 3.690 20 0 EHADRM COc1cc(Nc2ccccc2C(=O)NC(C)(C)C)ccc1C(=O)[O-] ZINC001174684821 1132435967 /nfs/dbraw/zinc/43/59/67/1132435967.db2.gz HJKYMQXLGXMRDU-UHFFFAOYSA-N -1 0 342.395 3.665 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1ncc(Br)s1 ZINC000189375459 1132444888 /nfs/dbraw/zinc/44/48/88/1132444888.db2.gz RRBSERLJXGTWFY-UHFFFAOYSA-N -1 0 333.594 3.517 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2ccc3c(c2)CCCO3)c(Cl)c1 ZINC001174722510 1132451585 /nfs/dbraw/zinc/45/15/85/1132451585.db2.gz LDZMTCUKGIFNOA-UHFFFAOYSA-N -1 0 339.800 3.655 20 0 EHADRM Cc1cc(S(=O)(=O)Nc2ccc(-n3cccn3)cc2C)c(C)s1 ZINC000190375235 1132453489 /nfs/dbraw/zinc/45/34/89/1132453489.db2.gz KZMJWDXTBCCPBL-UHFFFAOYSA-N -1 0 347.465 3.660 20 0 EHADRM CC[C@H](CNC(=O)CC(C)(C)CC(=O)[O-])Oc1ccccc1Cl ZINC000190662136 1132454969 /nfs/dbraw/zinc/45/49/69/1132454969.db2.gz ACRPTUVNUVVWDX-GFCCVEGCSA-N -1 0 341.835 3.505 20 0 EHADRM O=C([O-])c1ccc(Nc2cccc(C(=O)N3CCCCC3)c2)s1 ZINC001174810178 1132480315 /nfs/dbraw/zinc/48/03/15/1132480315.db2.gz JGZMTDXNRQTLSF-UHFFFAOYSA-N -1 0 330.409 3.816 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nnc(C3CCCCC3)o2)c(C)c1 ZINC000194781647 1132491626 /nfs/dbraw/zinc/49/16/26/1132491626.db2.gz CNZRQNHGWYCIIP-UHFFFAOYSA-N -1 0 335.429 3.535 20 0 EHADRM COC(=O)c1ccc2ccccc2c1Nc1ccc(CC(=O)[O-])cc1 ZINC001174954498 1132517795 /nfs/dbraw/zinc/51/77/95/1132517795.db2.gz MPWDAJRJOSCGAO-UHFFFAOYSA-N -1 0 335.359 3.997 20 0 EHADRM Cc1cccc(Nc2ccc(CC(=O)[O-])cc2)c1N1CCCCC1=O ZINC001174955701 1132517907 /nfs/dbraw/zinc/51/79/07/1132517907.db2.gz FGROQMRGHHCHHL-UHFFFAOYSA-N -1 0 338.407 3.883 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1nccnc1OCc1ccccc1 ZINC001174980916 1132534463 /nfs/dbraw/zinc/53/44/63/1132534463.db2.gz ABIIRBMHCVMAHE-UHFFFAOYSA-N -1 0 335.363 3.806 20 0 EHADRM COC(=O)c1cc(OC)c(Nc2cc(C(=O)[O-])ccc2C)cc1Cl ZINC001174983568 1132535164 /nfs/dbraw/zinc/53/51/64/1132535164.db2.gz CSYCKCLDDTYXSN-UHFFFAOYSA-N -1 0 349.770 3.885 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC001174982128 1132535406 /nfs/dbraw/zinc/53/54/06/1132535406.db2.gz LJMWWVIIVXBTAX-UHFFFAOYSA-N -1 0 346.814 3.927 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1cnc(Cl)c(Br)n1 ZINC001174982763 1132535503 /nfs/dbraw/zinc/53/55/03/1132535503.db2.gz XTCZVSVNHPYWMQ-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM CCOC(=O)Cc1ccc(F)c(Nc2cc(C(=O)[O-])ccc2C)c1 ZINC001174985957 1132536102 /nfs/dbraw/zinc/53/61/02/1132536102.db2.gz HTHXGJWMAKGSKI-UHFFFAOYSA-N -1 0 331.343 3.682 20 0 EHADRM COc1ccc(Nc2cccc(S(=O)(=O)[O-])c2)cc1C(F)(F)F ZINC001175070778 1132559406 /nfs/dbraw/zinc/55/94/06/1132559406.db2.gz HOIHVTJHZUXMTP-UHFFFAOYSA-N -1 0 347.314 3.704 20 0 EHADRM Cc1ccnc(Br)c1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175154375 1132568776 /nfs/dbraw/zinc/56/87/76/1132568776.db2.gz LFYZVTQPEXLASX-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM COC(=O)c1sc2cccnc2c1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175154927 1132569029 /nfs/dbraw/zinc/56/90/29/1132569029.db2.gz YUGOQZNQHJMXHV-UHFFFAOYSA-N -1 0 346.339 3.664 20 0 EHADRM CCOC(=O)c1nc(Cl)sc1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175156462 1132569943 /nfs/dbraw/zinc/56/99/43/1132569943.db2.gz FDNSJWUEHPIBMG-UHFFFAOYSA-N -1 0 344.751 3.554 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(F)ccc2OC[C@H]2CCCO2)cc1F ZINC001175156919 1132570059 /nfs/dbraw/zinc/57/00/59/1132570059.db2.gz AMFBXEFKEOINMG-CYBMUJFWSA-N -1 0 349.333 3.964 20 0 EHADRM CC1(C)CC(=O)Nc2ccc(Nc3ccc(C(=O)[O-])c(F)c3)cc21 ZINC001175161189 1132571618 /nfs/dbraw/zinc/57/16/18/1132571618.db2.gz AQPMBSWAGJLQOL-UHFFFAOYSA-N -1 0 328.343 3.887 20 0 EHADRM COC(=O)c1sc2cccnc2c1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175215620 1132597775 /nfs/dbraw/zinc/59/77/75/1132597775.db2.gz NXTVBJXXALUHOH-UHFFFAOYSA-N -1 0 346.339 3.664 20 0 EHADRM O=C([O-])c1cc(Nc2ccnn2Cc2ccc(F)cc2)ccc1F ZINC001175215609 1132597862 /nfs/dbraw/zinc/59/78/62/1132597862.db2.gz NPMLWOJCFVLPSG-UHFFFAOYSA-N -1 0 329.306 3.651 20 0 EHADRM C[C@@H]1CCc2sc(Nc3ccc(F)c(C(=O)[O-])c3)c(C(N)=O)c2C1 ZINC001175216965 1132597973 /nfs/dbraw/zinc/59/79/73/1132597973.db2.gz KHDWZMWAIJLWNL-MRVPVSSYSA-N -1 0 348.399 3.553 20 0 EHADRM Cc1cc(Nc2ccc(F)c(C(=O)[O-])c2)n(C(=O)OC(C)(C)C)n1 ZINC001175216085 1132598151 /nfs/dbraw/zinc/59/81/51/1132598151.db2.gz XTNVIHTWCUFCGN-UHFFFAOYSA-N -1 0 335.335 3.556 20 0 EHADRM Nc1cc(Br)cc(Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC001175223082 1132599595 /nfs/dbraw/zinc/59/95/95/1132599595.db2.gz AICPCADFPWWDSU-UHFFFAOYSA-N -1 0 325.137 3.612 20 0 EHADRM O=C([O-])c1cc(Nc2cccc(F)c2OC[C@H]2CCCO2)ccc1F ZINC001175222106 1132599658 /nfs/dbraw/zinc/59/96/58/1132599658.db2.gz SIJSVYODAKCTLW-GFCCVEGCSA-N -1 0 349.333 3.964 20 0 EHADRM O=C([O-])c1cc(Nc2ccccc2OC2CCOCC2)ccc1F ZINC001175222537 1132600074 /nfs/dbraw/zinc/60/00/74/1132600074.db2.gz UYUVBJRLBGQYSA-UHFFFAOYSA-N -1 0 331.343 3.825 20 0 EHADRM COc1cccc2cc(C(=O)Nc3ccc(-n4ccc(=O)[n-]4)cc3)oc21 ZINC001168913409 1132603806 /nfs/dbraw/zinc/60/38/06/1132603806.db2.gz ARUQVOCGJSGRNE-UHFFFAOYSA-N -1 0 349.346 3.585 20 0 EHADRM Cc1cc(C)c2c(Nc3ccc(C(=O)[O-])c(Cl)c3)nn(C)c2n1 ZINC001175315072 1132635787 /nfs/dbraw/zinc/63/57/87/1132635787.db2.gz MDBMYRGOJNHTSO-UHFFFAOYSA-N -1 0 330.775 3.680 20 0 EHADRM CC(C)c1cnn2cc(Nc3ccc(C(=O)[O-])c(Cl)c3)cnc12 ZINC001175314873 1132636221 /nfs/dbraw/zinc/63/62/21/1132636221.db2.gz DBICHRMAGJJCDC-UHFFFAOYSA-N -1 0 330.775 3.948 20 0 EHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1cc(C)cc2cccnc21 ZINC000766570880 1132636812 /nfs/dbraw/zinc/63/68/12/1132636812.db2.gz NCUCXGMJSKIJPE-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM COC(=O)[C@@H]1Cc2cccc(Nc3ccc(C(=O)[O-])c(Cl)c3)c2C1 ZINC001175320686 1132638037 /nfs/dbraw/zinc/63/80/37/1132638037.db2.gz JAHQYNIPKGZGPE-LLVKDONJSA-N -1 0 345.782 3.670 20 0 EHADRM COc1cc(OC)c(OC)cc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175321105 1132638288 /nfs/dbraw/zinc/63/82/88/1132638288.db2.gz FXQNMRQEWLYELD-UHFFFAOYSA-N -1 0 337.759 3.808 20 0 EHADRM COC(=O)[C@@H]1CCc2cc(Nc3ccc(C(=O)[O-])c(Cl)c3)ccc21 ZINC001175320993 1132638299 /nfs/dbraw/zinc/63/82/99/1132638299.db2.gz MUBLIORKWWOTMB-CQSZACIVSA-N -1 0 345.782 3.985 20 0 EHADRM COc1cc(Nc2ccc(F)c(Br)c2[O-])c(F)cn1 ZINC001175694729 1132728731 /nfs/dbraw/zinc/72/87/31/1132728731.db2.gz RYVRARWXBGLVIM-UHFFFAOYSA-N -1 0 331.116 3.580 20 0 EHADRM CCOc1ccc(Nc2ccc3ccccc3c2S(=O)(=O)[O-])cn1 ZINC001175743608 1132751264 /nfs/dbraw/zinc/75/12/64/1132751264.db2.gz DGWYZSVVCSZCCD-UHFFFAOYSA-N -1 0 344.392 3.624 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccccc1Nc1cncc(C(=O)[O-])c1 ZINC001175841712 1132773013 /nfs/dbraw/zinc/77/30/13/1132773013.db2.gz SRQUGUUIFFTDNF-UHFFFAOYSA-N -1 0 329.356 3.870 20 0 EHADRM COc1cccc(OC)c1-c1ccccc1NCc1cc(=O)[n-]o1 ZINC001169490895 1132776513 /nfs/dbraw/zinc/77/65/13/1132776513.db2.gz MWPIUZYSLRDJHQ-UHFFFAOYSA-N -1 0 326.352 3.677 20 0 EHADRM CC(=O)N1CC=C(Nc2cc(Cl)c(Cl)c(Cl)c2[O-])CC1 ZINC001176034856 1132825235 /nfs/dbraw/zinc/82/52/35/1132825235.db2.gz YMJDFOLEMQDAAJ-UHFFFAOYSA-N -1 0 335.618 3.900 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)/C=C\c1cccc(F)c1)C(=O)[O-] ZINC000766899013 1132907130 /nfs/dbraw/zinc/90/71/30/1132907130.db2.gz NLDPAWNYTJBDDZ-JQPIKURYSA-N -1 0 341.382 3.588 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cc1F ZINC000766891651 1132910426 /nfs/dbraw/zinc/91/04/26/1132910426.db2.gz ISIAQZSYDLKJKQ-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM O=C1Cc2cc(Nc3ccc(Br)cc3[S-])ccc2N1 ZINC001176433229 1132928107 /nfs/dbraw/zinc/92/81/07/1132928107.db2.gz SKQQEKHQBPTRSR-UHFFFAOYSA-N -1 0 335.226 3.976 20 0 EHADRM COC(=O)c1oc2cc(F)ccc2c1Nc1csc(C(=O)[O-])c1 ZINC001176435780 1132929075 /nfs/dbraw/zinc/92/90/75/1132929075.db2.gz FTSVGRFSWJDVJI-UHFFFAOYSA-N -1 0 335.312 3.862 20 0 EHADRM CCOC(=O)c1oc2ncccc2c1Nc1csc(C(=O)[O-])c1 ZINC001176436039 1132929162 /nfs/dbraw/zinc/92/91/62/1132929162.db2.gz IRKAFMATKDENNU-UHFFFAOYSA-N -1 0 332.337 3.508 20 0 EHADRM Nc1ccc(-c2ccc(Nc3csc(C(=O)[O-])c3)c(O)c2)cc1O ZINC001176441317 1132930016 /nfs/dbraw/zinc/93/00/16/1132930016.db2.gz TVSYNICPWPQCPW-UHFFFAOYSA-N -1 0 342.376 3.850 20 0 EHADRM COc1cc(Nc2csc(C(=O)[O-])c2)ccc1-n1cnc(C)c1 ZINC001176441887 1132931043 /nfs/dbraw/zinc/93/10/43/1132931043.db2.gz WVLZGFKIQDSVAV-UHFFFAOYSA-N -1 0 329.381 3.693 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2ccc(O)cc2F)c2ccccc21 ZINC001176414344 1132933466 /nfs/dbraw/zinc/93/34/66/1132933466.db2.gz VDOREGCRDKORRQ-UHFFFAOYSA-N -1 0 333.340 3.675 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3cnc(OCC4CCC4)nc3)cc2)CC1 ZINC001176586098 1132960848 /nfs/dbraw/zinc/96/08/48/1132960848.db2.gz CQFIVWMLXOOIST-UHFFFAOYSA-N -1 0 339.395 3.515 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2cc(F)cnc2Br)cc1 ZINC001176590527 1132962634 /nfs/dbraw/zinc/96/26/34/1132962634.db2.gz ZVPLOBHMPDROHU-ZZXKWVIFSA-N -1 0 337.148 3.825 20 0 EHADRM Cc1nc(Nc2ccc(/C=C/C(=O)[O-])cc2)ccc1Br ZINC001176588971 1132962711 /nfs/dbraw/zinc/96/27/11/1132962711.db2.gz QIMMPZXZPNAZGO-RUDMXATFSA-N -1 0 333.185 3.994 20 0 EHADRM CC(C)NC(=O)c1ccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cc1 ZINC001176589083 1132962811 /nfs/dbraw/zinc/96/28/11/1132962811.db2.gz BFWKJUORKOMKFS-UHFFFAOYSA-N -1 0 338.407 3.685 20 0 EHADRM COc1cc(C(C)=O)c(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cc1F ZINC001176589120 1132962924 /nfs/dbraw/zinc/96/29/24/1132962924.db2.gz UBGIUILIEIZIJJ-UHFFFAOYSA-N -1 0 343.354 3.897 20 0 EHADRM COC(=O)c1cccc2nc(Nc3ccc(C(=O)[O-])cc3)sc21 ZINC001176706995 1132994533 /nfs/dbraw/zinc/99/45/33/1132994533.db2.gz DDSICNHNIFXGNM-UHFFFAOYSA-N -1 0 328.349 3.525 20 0 EHADRM COC(=O)c1sc2nc(C)ccc2c1Nc1ccc(C(=O)[O-])cc1 ZINC001176709287 1132994777 /nfs/dbraw/zinc/99/47/77/1132994777.db2.gz HRZAWUYAPOSDJQ-UHFFFAOYSA-N -1 0 342.376 3.833 20 0 EHADRM Nc1cc(Br)cc(F)c1Nc1ccc(C(=O)[O-])cc1 ZINC001176712646 1132995344 /nfs/dbraw/zinc/99/53/44/1132995344.db2.gz MBXCXRUYPGZLIR-UHFFFAOYSA-N -1 0 325.137 3.612 20 0 EHADRM COC(=O)c1ccc(C(F)(F)F)c(Nc2ccc(C(=O)[O-])cc2)c1 ZINC001176715824 1132995958 /nfs/dbraw/zinc/99/59/58/1132995958.db2.gz RENQUUOVDPFBTR-UHFFFAOYSA-N -1 0 339.269 3.934 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(F)c(OC3CCOCC3)c(F)c2)cc1 ZINC001176713918 1132996065 /nfs/dbraw/zinc/99/60/65/1132996065.db2.gz XIZJUEDKUJHNCT-UHFFFAOYSA-N -1 0 349.333 3.964 20 0 EHADRM C[C@H](Oc1ccc2ccccc2c1)C(=O)[N-]Oc1ccccc1F ZINC001177113522 1133033067 /nfs/dbraw/zinc/03/30/67/1133033067.db2.gz ARKOWQQGNGHWSR-ZDUSSCGKSA-N -1 0 325.339 3.856 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)c2c(C)oc3ccccc32)c(C)s1 ZINC000767965475 1133078357 /nfs/dbraw/zinc/07/83/57/1133078357.db2.gz FHKGMJOZKFPCCW-UHFFFAOYSA-N -1 0 349.433 3.538 20 0 EHADRM O=C(Nc1c(Cl)ccc([O-])c1Cl)C1(c2ccc(F)cn2)CC1 ZINC001178079247 1133133586 /nfs/dbraw/zinc/13/35/86/1133133586.db2.gz GAWMWSJPBXJSQI-UHFFFAOYSA-N -1 0 341.169 3.903 20 0 EHADRM CC(=O)c1cc(F)c([O-])c(NC(=O)c2nc3ccccc3s2)c1 ZINC001178433312 1133163727 /nfs/dbraw/zinc/16/37/27/1133163727.db2.gz OAFCZNZZCJURBB-UHFFFAOYSA-N -1 0 330.340 3.596 20 0 EHADRM COc1cc(Cl)c(F)cc1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC001178981062 1133214242 /nfs/dbraw/zinc/21/42/42/1133214242.db2.gz ZEUHVLYITDKAMW-UHFFFAOYSA-N -1 0 331.677 3.724 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)sc2c1)[C@H]1Cc2ccccc2O1 ZINC001178942164 1133215173 /nfs/dbraw/zinc/21/51/73/1133215173.db2.gz SKPMFPBZLWQBFD-CYBMUJFWSA-N -1 0 328.418 3.527 20 0 EHADRM Cc1cc([C@H]2CCCCN2C(=O)c2ccc3[n-]c(=S)oc3c2)[nH]n1 ZINC001179151610 1133232670 /nfs/dbraw/zinc/23/26/70/1133232670.db2.gz DIYGYLDZSACOCS-CQSZACIVSA-N -1 0 342.424 3.515 20 0 EHADRM O=C(Nc1ccnc(N2CCCCC2)c1)c1cc(F)c([O-])c(Cl)c1 ZINC001179342786 1133246223 /nfs/dbraw/zinc/24/62/23/1133246223.db2.gz ZQXHMBZPMONSDK-UHFFFAOYSA-N -1 0 349.793 3.822 20 0 EHADRM CC[C@@H](Nc1ccccc1)C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000769243043 1133249921 /nfs/dbraw/zinc/24/99/21/1133249921.db2.gz FRTVRUXZEYUVMN-CYBMUJFWSA-N -1 0 327.409 3.946 20 0 EHADRM C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000769245675 1133250778 /nfs/dbraw/zinc/25/07/78/1133250778.db2.gz KZRXGJYXPXIRDS-SECBINFHSA-N -1 0 332.356 3.662 20 0 EHADRM C[C@@H](NC(=O)CC(C)(C)Cc1ccc(Cl)cc1)c1nn(C)cc1[O-] ZINC001179926892 1133300151 /nfs/dbraw/zinc/30/01/51/1133300151.db2.gz PGIGVBYHDROWLT-GFCCVEGCSA-N -1 0 349.862 3.615 20 0 EHADRM CCCCc1oc2ccccc2c1/C=C\C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000769511906 1133306107 /nfs/dbraw/zinc/30/61/07/1133306107.db2.gz RQSPZPQRTLGFJQ-CFYYFVFUSA-N -1 0 341.407 3.722 20 0 EHADRM CC(C)(C(=O)Nc1ccc(F)c(Br)c1[O-])C(F)(F)F ZINC001180449846 1133376873 /nfs/dbraw/zinc/37/68/73/1133376873.db2.gz CFVGRGGBJAVOEQ-UHFFFAOYSA-N -1 0 344.102 3.821 20 0 EHADRM COc1ccc(Cl)c(CC(=O)Nc2ccccc2[S-])c1F ZINC001181640424 1133504792 /nfs/dbraw/zinc/50/47/92/1133504792.db2.gz WHTZRLZZLZDFSO-UHFFFAOYSA-N -1 0 325.792 3.958 20 0 EHADRM O=C(N[C@H](Cc1ccccc1)C1CC1)c1ccc2[n-]c(=S)oc2c1 ZINC000746284996 1133505640 /nfs/dbraw/zinc/50/56/40/1133505640.db2.gz GLBPBFPYTHCNNH-MRXNPFEDSA-N -1 0 338.432 3.868 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2cccc(C(=O)[O-])c2C)cc1C ZINC000746364528 1133512850 /nfs/dbraw/zinc/51/28/50/1133512850.db2.gz JJAXNPJWFCVBBI-UHFFFAOYSA-N -1 0 339.391 3.912 20 0 EHADRM O=C(/C=C/c1ccc(Cl)nc1)Nc1cc(F)cc(Cl)c1[O-] ZINC000771504756 1133567136 /nfs/dbraw/zinc/56/71/36/1133567136.db2.gz MHVCVQZJJNIKMW-DUXPYHPUSA-N -1 0 327.142 3.885 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000772216753 1133657230 /nfs/dbraw/zinc/65/72/30/1133657230.db2.gz DFNYEGONPICLEB-UHFFFAOYSA-N -1 0 332.762 3.509 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)[C@H](C)CC(C)(C)C)c1Cl ZINC000774288470 1133657641 /nfs/dbraw/zinc/65/76/41/1133657641.db2.gz NVKFIULQWUNBGQ-LLVKDONJSA-N -1 0 331.865 3.526 20 0 EHADRM O=C(Oc1ccc2c(c1)CCCC(=O)N2)c1cc(F)c([O-])c(Cl)c1 ZINC000772488276 1133691256 /nfs/dbraw/zinc/69/12/56/1133691256.db2.gz NONQYQQVEVUSAB-UHFFFAOYSA-N -1 0 349.745 3.679 20 0 EHADRM Cc1nc2ccc(Cl)cn2c1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000785553641 1133721098 /nfs/dbraw/zinc/72/10/98/1133721098.db2.gz GGHLTIOESYVLCG-UHFFFAOYSA-N -1 0 349.843 3.714 20 0 EHADRM O=C([N-]Cc1cc(F)c(F)c(F)c1)C(F)(F)c1ccc(F)cc1 ZINC001182891451 1133745141 /nfs/dbraw/zinc/74/51/41/1133745141.db2.gz SYDVPYBFBIZJSH-UHFFFAOYSA-N -1 0 333.231 3.651 20 0 EHADRM O=C(Nc1nc(-c2cccs2)ns1)c1cc(F)cc(F)c1[O-] ZINC001183084810 1133762580 /nfs/dbraw/zinc/76/25/80/1133762580.db2.gz ASRHFIRXTLAEQU-UHFFFAOYSA-N -1 0 339.348 3.503 20 0 EHADRM CC(C)O[C@H]1C[C@H](NC(=O)c2cc(F)cc(Cl)c2[O-])C1(C)C ZINC001183143334 1133770653 /nfs/dbraw/zinc/77/06/53/1133770653.db2.gz PNAAEHCMBQFTMT-STQMWFEESA-N -1 0 329.799 3.507 20 0 EHADRM CC(=O)Nc1ccc(NC(=O)Cc2ccc([S-])cc2)cc1Cl ZINC001183189223 1133776540 /nfs/dbraw/zinc/77/65/40/1133776540.db2.gz PAFLSVBPQAJNHU-UHFFFAOYSA-N -1 0 334.828 3.768 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])s1 ZINC000785936634 1133786349 /nfs/dbraw/zinc/78/63/49/1133786349.db2.gz YBMNZYMQNUXKSF-LLVKDONJSA-N -1 0 345.399 3.578 20 0 EHADRM Cc1ccc([C@@H](O)C(=O)Nc2c(Cl)ccc([O-])c2Cl)cc1 ZINC001183645633 1133835994 /nfs/dbraw/zinc/83/59/94/1133835994.db2.gz PACYOEJQYWXICB-CQSZACIVSA-N -1 0 326.179 3.680 20 0 EHADRM CCC(CC)(CC)C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000787006190 1133933264 /nfs/dbraw/zinc/93/32/64/1133933264.db2.gz ZKUZMMWNKLZAQV-UHFFFAOYSA-N -1 0 349.855 3.642 20 0 EHADRM O=C(NCC[C@@H]1C[C@H]1Cc1ccccc1)c1c([O-])cc(F)cc1F ZINC001184404647 1133935708 /nfs/dbraw/zinc/93/57/08/1133935708.db2.gz LPLZCXDXOFRNBO-ZIAGYGMSSA-N -1 0 331.362 3.669 20 0 EHADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)Cc1cc(F)cc(F)c1 ZINC001185084436 1134034191 /nfs/dbraw/zinc/03/41/91/1134034191.db2.gz QHILPVMSQTVZFG-UHFFFAOYSA-N -1 0 347.770 3.569 20 0 EHADRM O=S(=O)(Cc1cc(F)cc(F)c1)[N-]c1ccccc1OC(F)F ZINC001185124073 1134039345 /nfs/dbraw/zinc/03/93/45/1134039345.db2.gz RJRMNXFIGZBYKI-UHFFFAOYSA-N -1 0 349.305 3.508 20 0 EHADRM Cc1ccc2cccnc2c1[N-]S(=O)(=O)Cc1cc(F)cc(F)c1 ZINC001185124053 1134039428 /nfs/dbraw/zinc/03/94/28/1134039428.db2.gz QWOQKARFHFWALG-UHFFFAOYSA-N -1 0 348.374 3.763 20 0 EHADRM O=S(=O)([N-]c1ccc(C(F)(F)F)c(F)c1)c1ccsc1 ZINC001185391850 1134077727 /nfs/dbraw/zinc/07/77/27/1134077727.db2.gz UHXJTYORGGCXSA-UHFFFAOYSA-N -1 0 325.308 3.707 20 0 EHADRM COc1c([N-]S(=O)(=O)c2ccsc2)cccc1C(F)(F)F ZINC001185391825 1134078625 /nfs/dbraw/zinc/07/86/25/1134078625.db2.gz SIGMLAVOVBQTLW-UHFFFAOYSA-N -1 0 337.344 3.576 20 0 EHADRM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc3ccccc3s2)c1 ZINC001185421926 1134082949 /nfs/dbraw/zinc/08/29/49/1134082949.db2.gz XBEPONTYFYOAHG-UHFFFAOYSA-N -1 0 346.433 3.661 20 0 EHADRM O=C(C=C([O-])c1ccccc1Cl)NC[C@@H]1CCCC(F)(F)C1 ZINC001185444042 1134087157 /nfs/dbraw/zinc/08/71/57/1134087157.db2.gz LJQUDCVAOFCTSF-LLVKDONJSA-N -1 0 329.774 3.855 20 0 EHADRM COc1cccc([N-]S(=O)(=O)c2cc3ccccc3s2)c1F ZINC001185460083 1134091683 /nfs/dbraw/zinc/09/16/83/1134091683.db2.gz OGASHPRCHCTEBU-UHFFFAOYSA-N -1 0 337.397 3.850 20 0 EHADRM CC(=O)Oc1ccc([N-]S(=O)(=O)c2cc3ccccc3s2)cc1 ZINC001185463406 1134093229 /nfs/dbraw/zinc/09/32/29/1134093229.db2.gz ZAVYFXXPHBAYSB-UHFFFAOYSA-N -1 0 347.417 3.627 20 0 EHADRM CCc1cccc(O)c1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1 ZINC001185532810 1134104830 /nfs/dbraw/zinc/10/48/30/1134104830.db2.gz SWPFBFPZXPDGCV-UHFFFAOYSA-N -1 0 325.817 3.717 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccccc2)nc1)c1ccc(Cl)nc1 ZINC001185649277 1134116478 /nfs/dbraw/zinc/11/64/78/1134116478.db2.gz VCFGBGFVNLWCCY-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM Cc1c([N-]c2nnc(C(F)(F)F)s2)cnn1-c1ccccc1F ZINC001185856787 1134144539 /nfs/dbraw/zinc/14/45/39/1134144539.db2.gz FARFMLNIUMSASQ-UHFFFAOYSA-N -1 0 343.309 3.934 20 0 EHADRM O=C(Nc1cc(Br)cc2n[nH]cc21)c1cccc([S-])c1 ZINC001186152869 1134176444 /nfs/dbraw/zinc/17/64/44/1134176444.db2.gz SEYQQVAHHWUPBQ-UHFFFAOYSA-N -1 0 348.225 3.866 20 0 EHADRM O=S(=O)([N-]c1cn(C2CCC2)cn1)c1csc2ccccc21 ZINC001186464360 1134225556 /nfs/dbraw/zinc/22/55/56/1134225556.db2.gz QKZDDDFDXIBTTB-UHFFFAOYSA-N -1 0 333.438 3.624 20 0 EHADRM Cc1cccc(CO)c1[N-]S(=O)(=O)c1csc2ccccc21 ZINC001186509317 1134226723 /nfs/dbraw/zinc/22/67/23/1134226723.db2.gz XXVFUGLJQVAPIQ-UHFFFAOYSA-N -1 0 333.434 3.503 20 0 EHADRM O=S(=O)([N-]c1cnccn1)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC001186606756 1134239616 /nfs/dbraw/zinc/23/96/16/1134239616.db2.gz BFZWZIQPLMKUGC-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM O=C(Nc1ccc(F)c2cnccc12)c1cc(F)c(F)c([O-])c1F ZINC001186779327 1134256425 /nfs/dbraw/zinc/25/64/25/1134256425.db2.gz KPYUUYCDSKWUTJ-UHFFFAOYSA-N -1 0 336.244 3.749 20 0 EHADRM O=S(=O)([N-]c1ccc(OC(F)(F)F)cc1Cl)c1ccco1 ZINC001186857152 1134269440 /nfs/dbraw/zinc/26/94/40/1134269440.db2.gz KTNBGXRQTZJWRM-UHFFFAOYSA-N -1 0 341.694 3.632 20 0 EHADRM CCc1c(Cl)cc([N-]S(=O)(=O)c2ccco2)c(O)c1Cl ZINC001186858412 1134269773 /nfs/dbraw/zinc/26/97/73/1134269773.db2.gz AYTSOYRPHFJBQG-UHFFFAOYSA-N -1 0 336.196 3.655 20 0 EHADRM Cc1c(Cl)nccc1[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187184394 1134306163 /nfs/dbraw/zinc/30/61/63/1134306163.db2.gz DVEJCESQYQZQCW-UHFFFAOYSA-N -1 0 342.873 3.785 20 0 EHADRM Cn1c([N-]S(=O)(=O)c2cc3c(s2)CCCC3)cc2ccccc21 ZINC001187184364 1134306254 /nfs/dbraw/zinc/30/62/54/1134306254.db2.gz CFIXOXABKHLXOJ-UHFFFAOYSA-N -1 0 346.477 3.919 20 0 EHADRM Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000789737997 1134329788 /nfs/dbraw/zinc/32/97/88/1134329788.db2.gz DRMOFUNWKUPFFI-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM O=C([N-]OC1CCCCC1)C1(c2ccccc2Br)CC1 ZINC000789851468 1134341575 /nfs/dbraw/zinc/34/15/75/1134341575.db2.gz PTGIQTUENMEHEP-UHFFFAOYSA-N -1 0 338.245 3.861 20 0 EHADRM O=S(=O)([N-]c1cccc2ocnc21)c1cccc(C(F)(F)F)c1 ZINC000790005371 1134358329 /nfs/dbraw/zinc/35/83/29/1134358329.db2.gz QFXLZSWDFMTOLM-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM O=S(=O)([N-]c1ccccc1-c1ccc(Cl)cc1)c1c[nH]cn1 ZINC001187761579 1134381287 /nfs/dbraw/zinc/38/12/87/1134381287.db2.gz TXBQUZRHKVVGQN-UHFFFAOYSA-N -1 0 333.800 3.531 20 0 EHADRM C[S@](=O)c1ccccc1C(=O)Nc1ccc2[n-]c(=S)sc2c1 ZINC001187850261 1134389790 /nfs/dbraw/zinc/38/97/90/1134389790.db2.gz IAWFKINMNJRBPN-QFIPXVFZSA-N -1 0 348.474 3.575 20 0 EHADRM CCCN(CCC)c1ccc([N-]S(=O)(=O)c2nccs2)cc1 ZINC001187890038 1134398933 /nfs/dbraw/zinc/39/89/33/1134398933.db2.gz AQIFTYUPECNXMR-UHFFFAOYSA-N -1 0 339.486 3.570 20 0 EHADRM O=S(=O)([N-]c1csc(Cl)c1)c1cnc(Cl)c(Cl)c1 ZINC001188041869 1134413430 /nfs/dbraw/zinc/41/34/30/1134413430.db2.gz WZAJPMGNBAIZOP-UHFFFAOYSA-N -1 0 343.644 3.904 20 0 EHADRM CCc1cc(C2CC2)nc([N-]S(=O)(=O)/C=C\c2ccc(C)cc2)n1 ZINC000790648464 1134451698 /nfs/dbraw/zinc/45/16/98/1134451698.db2.gz ZGCGIUCPJONJEH-KHPPLWFESA-N -1 0 343.452 3.637 20 0 EHADRM O=S(=O)([N-]c1ccc(C2(C(F)(F)F)CC2)cc1)c1ccoc1 ZINC001188569652 1134476937 /nfs/dbraw/zinc/47/69/37/1134476937.db2.gz XOQMLNYRYVRCPL-UHFFFAOYSA-N -1 0 331.315 3.674 20 0 EHADRM O=C(NCc1ccc2c(c1)CCC2)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188564422 1134477135 /nfs/dbraw/zinc/47/71/35/1134477135.db2.gz WCDYWBDDFMKIKH-UHFFFAOYSA-N -1 0 335.325 3.830 20 0 EHADRM O=S(=O)([N-]c1ccco1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001188722590 1134500555 /nfs/dbraw/zinc/50/05/55/1134500555.db2.gz RZXLCRFVQFPLCE-UHFFFAOYSA-N -1 0 325.695 3.753 20 0 EHADRM CCc1ccc([C@@H]2CN(C(=O)c3cccc(Cl)c3[O-])CCO2)cc1 ZINC000791123088 1134506698 /nfs/dbraw/zinc/50/66/98/1134506698.db2.gz KUJRXXXMYBSUPW-KRWDZBQOSA-N -1 0 345.826 3.822 20 0 EHADRM O=S(=O)(CCc1ccc(Cl)cc1)Nc1ccccc1[S-] ZINC001189100415 1134544807 /nfs/dbraw/zinc/54/48/07/1134544807.db2.gz CUPJEFSAZMCONE-UHFFFAOYSA-N -1 0 327.858 3.613 20 0 EHADRM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3cc(C)ccc3n2)c1 ZINC001189191767 1134550060 /nfs/dbraw/zinc/55/00/60/1134550060.db2.gz PUTCCSLVEKKADW-UHFFFAOYSA-N -1 0 340.404 3.547 20 0 EHADRM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)nc3sccc32)c1 ZINC001189202880 1134552289 /nfs/dbraw/zinc/55/22/89/1134552289.db2.gz VALAGJKAOUGKPL-UHFFFAOYSA-N -1 0 346.433 3.608 20 0 EHADRM O=S(=O)([N-]c1cncc(Cl)c1)c1ccc(F)c2ccccc21 ZINC001189356218 1134579826 /nfs/dbraw/zinc/57/98/26/1134579826.db2.gz OEMMSUBGTSLZEW-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM O=C([N-]OC1CCOCC1)C1(c2cccc(Cl)c2)CCCCC1 ZINC000775243427 1134580112 /nfs/dbraw/zinc/58/01/12/1134580112.db2.gz HKEVDHDTUWHTLI-UHFFFAOYSA-N -1 0 337.847 3.769 20 0 EHADRM O=S(=O)(Cc1cccc(F)c1F)[N-]c1cc(C2CCCC2)no1 ZINC001189420058 1134585095 /nfs/dbraw/zinc/58/50/95/1134585095.db2.gz NZHHJAURWUQUOE-UHFFFAOYSA-N -1 0 342.367 3.552 20 0 EHADRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C)sc1C ZINC000775296000 1134617016 /nfs/dbraw/zinc/61/70/16/1134617016.db2.gz XUBYSULDRZKJQF-UHFFFAOYSA-N -1 0 331.846 3.828 20 0 EHADRM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1)C(F)(F)F ZINC001189741460 1134619101 /nfs/dbraw/zinc/61/91/01/1134619101.db2.gz VZQIUIZZBOXZDY-RDDDGLTNSA-N -1 0 347.761 3.734 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@H](C)CCC(C)(C)C)c(F)c1 ZINC000792074281 1134647434 /nfs/dbraw/zinc/64/74/34/1134647434.db2.gz AGFXLBOJUAJJET-CYBMUJFWSA-N -1 0 343.464 3.543 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1ncsc1C(F)(F)F ZINC000792233023 1134669499 /nfs/dbraw/zinc/66/94/99/1134669499.db2.gz XTACWHSBABQEKP-UHFFFAOYSA-N -1 0 345.327 3.844 20 0 EHADRM CCC[C@H](NS(=O)(=O)c1cc(F)cc(F)c1F)c1ccccc1 ZINC001190401569 1134691576 /nfs/dbraw/zinc/69/15/76/1134691576.db2.gz KWAPACFYROJTPB-AWEZNQCLSA-N -1 0 343.370 3.924 20 0 EHADRM O=S(=O)([N-]c1cnc(Cl)c(F)c1)c1ccc(C2CC2)cc1 ZINC001190472097 1134705462 /nfs/dbraw/zinc/70/54/62/1134705462.db2.gz NJNYFNPSWJMVQC-UHFFFAOYSA-N -1 0 326.780 3.552 20 0 EHADRM Cc1cnn(CC2CCC2)c1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190472448 1134706104 /nfs/dbraw/zinc/70/61/04/1134706104.db2.gz QMQILCMHDIESPH-UHFFFAOYSA-N -1 0 345.468 3.670 20 0 EHADRM CC(C)(NS(=O)(=O)c1ccc(F)cc1C(F)(F)F)C1CCC1 ZINC001190503710 1134707599 /nfs/dbraw/zinc/70/75/99/1134707599.db2.gz BYSCDUYMNHSWQJ-UHFFFAOYSA-N -1 0 339.354 3.702 20 0 EHADRM COc1cc(OC)c(Nc2ccc(C(=O)[O-])cc2F)cc1Cl ZINC001203288144 1134773843 /nfs/dbraw/zinc/77/38/43/1134773843.db2.gz PHTQUTRYNAVMRB-UHFFFAOYSA-N -1 0 325.723 3.938 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cccc3cnccc32)c1 ZINC001191144420 1134812351 /nfs/dbraw/zinc/81/23/51/1134812351.db2.gz FNEFAFMMPNXWQS-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc3cnccc3c2)c1 ZINC001191144391 1134812475 /nfs/dbraw/zinc/81/24/75/1134812475.db2.gz DLQKPHVLUJJULE-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM O=S(=O)(CC1CCCC1)[N-]c1cc(-c2ccc(Cl)cc2)no1 ZINC001191490177 1134872218 /nfs/dbraw/zinc/87/22/18/1134872218.db2.gz SYCHDXLWMGOKDV-UHFFFAOYSA-N -1 0 340.832 3.927 20 0 EHADRM O=S(=O)(CC1CCCC1)Nc1cc(C(F)(F)F)ccc1[S-] ZINC001191523621 1134879332 /nfs/dbraw/zinc/87/93/32/1134879332.db2.gz PXQSUVLRWFPERE-UHFFFAOYSA-N -1 0 339.404 3.926 20 0 EHADRM O=S(=O)(CC1CCCC1)[N-]c1cc(F)ccc1C(F)(F)F ZINC001191527266 1134880800 /nfs/dbraw/zinc/88/08/00/1134880800.db2.gz XOBPOPPAGXKWGZ-UHFFFAOYSA-N -1 0 325.327 3.776 20 0 EHADRM Cc1ccc([C@@H]([N-]S(=O)(=O)CC2CCCC2)C(F)(F)F)cc1 ZINC001191541821 1134882805 /nfs/dbraw/zinc/88/28/05/1134882805.db2.gz QFLZNHYGDKAQIB-CQSZACIVSA-N -1 0 335.391 3.708 20 0 EHADRM CC(C)c1ccccc1NC(=O)c1nc(Br)ccc1[O-] ZINC001191733665 1134914563 /nfs/dbraw/zinc/91/45/63/1134914563.db2.gz LGUXKCMXKSUNMF-UHFFFAOYSA-N -1 0 335.201 3.925 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1nc2ccccc2s1 ZINC001191779579 1134920427 /nfs/dbraw/zinc/92/04/27/1134920427.db2.gz GYTSIUKEAOTELP-UHFFFAOYSA-N -1 0 348.449 3.804 20 0 EHADRM Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3cccc(F)n3)cc2)cc1 ZINC001192064018 1134964172 /nfs/dbraw/zinc/96/41/72/1134964172.db2.gz PHUTUZXXGAFUNS-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM CCn1cnc([N-]S(=O)(=O)c2ccc(-c3ccc(C)cc3)cc2)c1 ZINC001192065903 1134964211 /nfs/dbraw/zinc/96/42/11/1134964211.db2.gz SNRKYQKSFIZZHB-UHFFFAOYSA-N -1 0 341.436 3.679 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2CC(F)(F)C[C@@]2(C)CF)c(O)c1 ZINC001192313403 1134997244 /nfs/dbraw/zinc/99/72/44/1134997244.db2.gz DHWNYISXVIWFNF-INIZCTEOSA-N -1 0 329.362 3.899 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N=c2cc[nH]cc2C(F)(F)F)c([O-])c1 ZINC001192315206 1134998153 /nfs/dbraw/zinc/99/81/53/1134998153.db2.gz ZCWQFLTYOIYZKJ-UHFFFAOYSA-N -1 0 338.329 3.778 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(O)ccc2Br)c(F)c1 ZINC001203293195 1135014545 /nfs/dbraw/zinc/01/45/45/1135014545.db2.gz WICWLMXFMZPEEN-UHFFFAOYSA-N -1 0 326.121 3.736 20 0 EHADRM COC(=O)c1ccc([O-])c(C(=O)Nc2cc(OC(C)C)ccc2C)c1 ZINC001192397179 1135014670 /nfs/dbraw/zinc/01/46/70/1135014670.db2.gz OWSBGNXJZYICFY-UHFFFAOYSA-N -1 0 343.379 3.527 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(F)c(Br)c2O)c(F)c1 ZINC001203293352 1135016499 /nfs/dbraw/zinc/01/64/99/1135016499.db2.gz JKOVDUUSDYPWJC-UHFFFAOYSA-N -1 0 344.111 3.875 20 0 EHADRM CSCCO[N-]C(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000794189556 1135025890 /nfs/dbraw/zinc/02/58/90/1135025890.db2.gz CUQAGSKDTNPJMD-UHFFFAOYSA-N -1 0 334.268 3.826 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2c(O)ccc3ccccc32)cnc1Cl ZINC001192570769 1135031365 /nfs/dbraw/zinc/03/13/65/1135031365.db2.gz XOCFPPVNLZBYKA-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccnc(C(C)(C)C)c2)cnc1Cl ZINC001192534056 1135032722 /nfs/dbraw/zinc/03/27/22/1135032722.db2.gz UWBFJFBYZKUKNN-UHFFFAOYSA-N -1 0 339.848 3.537 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cnccc2C2CCC2)cnc1Cl ZINC001192533828 1135033059 /nfs/dbraw/zinc/03/30/59/1135033059.db2.gz JTSSEXURYFNOJN-UHFFFAOYSA-N -1 0 337.832 3.507 20 0 EHADRM O=C(Nc1ccc(Cl)c2nsnc21)c1c([O-])ccc(F)c1F ZINC001192764731 1135052308 /nfs/dbraw/zinc/05/23/08/1135052308.db2.gz NMUJCNRNDUELNQ-UHFFFAOYSA-N -1 0 341.726 3.581 20 0 EHADRM COc1ccc(-n2cccc2)c(NC(=O)c2c([O-])ccc(F)c2F)c1 ZINC001192764093 1135052344 /nfs/dbraw/zinc/05/23/44/1135052344.db2.gz FMDLPJZSSXOOQH-UHFFFAOYSA-N -1 0 344.317 3.722 20 0 EHADRM COc1cc(C(F)(F)F)ccc1NC(=O)c1cc(F)c([O-])cc1F ZINC001192872777 1135062209 /nfs/dbraw/zinc/06/22/09/1135062209.db2.gz SJMWROVHBVSNDZ-UHFFFAOYSA-N -1 0 347.239 3.950 20 0 EHADRM Cn1ccc2cc(NC(=O)c3cc(Cl)nc(Cl)c3[O-])ccc21 ZINC001193089133 1135098899 /nfs/dbraw/zinc/09/88/99/1135098899.db2.gz HFRZSENCBHSKOK-UHFFFAOYSA-N -1 0 336.178 3.838 20 0 EHADRM O=C(NCc1cccc2ncccc12)c1cc(Cl)nc(Cl)c1[O-] ZINC001193092901 1135106338 /nfs/dbraw/zinc/10/63/38/1135106338.db2.gz DYWICXPMLYWAPG-UHFFFAOYSA-N -1 0 348.189 3.572 20 0 EHADRM Cc1sccc1C(=O)Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1 ZINC001193378908 1135132660 /nfs/dbraw/zinc/13/26/60/1135132660.db2.gz JOMIIRUNMFVRBM-UHFFFAOYSA-N -1 0 347.417 3.709 20 0 EHADRM COc1ccc(NS(=O)(=O)c2ccc(C)c3ccccc32)cc1O ZINC001193825538 1135188990 /nfs/dbraw/zinc/18/89/90/1135188990.db2.gz YBXBCDPRNLBOLN-UHFFFAOYSA-N -1 0 343.404 3.663 20 0 EHADRM CCOc1ccncc1[N-]S(=O)(=O)c1ccc(C)c2ccccc21 ZINC001193834351 1135190852 /nfs/dbraw/zinc/19/08/52/1135190852.db2.gz YUHGTXLLGIEYQQ-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM CCCC[C@@H](CC)COC(=O)Nc1nc[n-]c(=O)c1Br ZINC001193950612 1135212940 /nfs/dbraw/zinc/21/29/40/1135212940.db2.gz CFRWAOOUNRMYHK-SECBINFHSA-N -1 0 346.225 3.710 20 0 EHADRM Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(-c3cccs3)cc2)n1 ZINC001194142898 1135239417 /nfs/dbraw/zinc/23/94/17/1135239417.db2.gz ZXDMUTGOZRFHBM-UHFFFAOYSA-N -1 0 346.433 3.625 20 0 EHADRM Cn1[n-]c(C(=O)Nc2ccc(Oc3ccccc3)c(Cl)c2)cc1=O ZINC001194202307 1135242491 /nfs/dbraw/zinc/24/24/91/1135242491.db2.gz ZWKPGIPQHNXNGO-UHFFFAOYSA-N -1 0 343.770 3.824 20 0 EHADRM Cn1[n-]c(C(=O)Nc2ccc3[nH]c(-c4ccccc4)cc3c2)cc1=O ZINC001194201659 1135242530 /nfs/dbraw/zinc/24/25/30/1135242530.db2.gz PMAAORIDTAZGLL-UHFFFAOYSA-N -1 0 332.363 3.526 20 0 EHADRM O=C(Nc1ccc(S(=O)(=O)[O-])c2ccccc12)Oc1ccccc1 ZINC001194251063 1135250126 /nfs/dbraw/zinc/25/01/26/1135250126.db2.gz GWQJEGYRNPYXBQ-UHFFFAOYSA-N -1 0 343.360 3.697 20 0 EHADRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)N[C@@H]1CCCc2ccccc21 ZINC001194259810 1135251143 /nfs/dbraw/zinc/25/11/43/1135251143.db2.gz BNNXZJWHMCNJTL-GOSISDBHSA-N -1 0 347.418 3.694 20 0 EHADRM COc1ccc(F)c(C(=O)Nc2cc(Cl)c([O-])cc2F)c1OC ZINC000805256009 1135253895 /nfs/dbraw/zinc/25/38/95/1135253895.db2.gz HZAWYINTQNPEAC-UHFFFAOYSA-N -1 0 343.713 3.593 20 0 EHADRM O=S(=O)([N-]c1cccc2occc21)c1ccc(C(F)(F)F)cn1 ZINC001194305213 1135254544 /nfs/dbraw/zinc/25/45/44/1135254544.db2.gz WVOCHOJQEPLOQM-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cccc([C@H]2CCOC2)c1 ZINC000805260954 1135254735 /nfs/dbraw/zinc/25/47/35/1135254735.db2.gz ZXNFHTKJGCWCSO-LBPRGKRZSA-N -1 0 335.762 3.941 20 0 EHADRM CSc1ccccc1[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC001194561372 1135285761 /nfs/dbraw/zinc/28/57/61/1135285761.db2.gz ASRXIZYDYQEJKQ-UHFFFAOYSA-N -1 0 348.371 3.623 20 0 EHADRM O=C(Nc1ccc(S(=O)(=O)[O-])cc1)Oc1ccc2ccccc2c1 ZINC001194657301 1135299298 /nfs/dbraw/zinc/29/92/98/1135299298.db2.gz KEZXIAKSCKPZRL-UHFFFAOYSA-N -1 0 343.360 3.697 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C3CC3)n2)c(C)c1C ZINC001194843807 1135336285 /nfs/dbraw/zinc/33/62/85/1135336285.db2.gz PXUWKSDWFAABRC-UHFFFAOYSA-N -1 0 346.452 3.694 20 0 EHADRM CC(C)c1ccc([N-]S(=O)(=O)c2cccc3nccnc32)cc1 ZINC001194932089 1135336906 /nfs/dbraw/zinc/33/69/06/1135336906.db2.gz GQALOLHARNUYDP-UHFFFAOYSA-N -1 0 327.409 3.554 20 0 EHADRM CC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC001195156879 1135383199 /nfs/dbraw/zinc/38/31/99/1135383199.db2.gz VPKCHBBWIDJOGY-UHFFFAOYSA-N -1 0 335.400 3.953 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cncc2ccccc21 ZINC001195267710 1135401512 /nfs/dbraw/zinc/40/15/12/1135401512.db2.gz JAUVAJLKJVDYKY-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1cnn(C2CCC2)c1[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC001195285331 1135407375 /nfs/dbraw/zinc/40/73/75/1135407375.db2.gz VBQLYFDHSCXKBN-UHFFFAOYSA-N -1 0 339.848 3.679 20 0 EHADRM O=C(Nc1cnc(C2CC2)s1)c1c([O-])c(F)c(F)c(F)c1F ZINC001195290579 1135408367 /nfs/dbraw/zinc/40/83/67/1135408367.db2.gz KFRSIIOCNPOABU-UHFFFAOYSA-N -1 0 332.278 3.535 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cccc(Cl)c1O ZINC001195308427 1135411214 /nfs/dbraw/zinc/41/12/14/1135411214.db2.gz MTZBWHJGUCJRPN-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM CC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC001195315504 1135412698 /nfs/dbraw/zinc/41/26/98/1135412698.db2.gz CDRFBPOXZKPRGI-UHFFFAOYSA-N -1 0 337.828 3.960 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccccc1[C@@H](C)O ZINC001195316410 1135412817 /nfs/dbraw/zinc/41/28/17/1135412817.db2.gz AZFWHGULBYLHCO-LLVKDONJSA-N -1 0 325.817 3.503 20 0 EHADRM CCOC(=O)NC(=S)[N-]c1cc(Cl)c(F)c(Cl)c1F ZINC001195486471 1135431981 /nfs/dbraw/zinc/43/19/81/1135431981.db2.gz FVLMDAHPMJHIFB-UHFFFAOYSA-N -1 0 329.155 3.715 20 0 EHADRM O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cccc(Cl)c1[O-] ZINC000775665453 1135438638 /nfs/dbraw/zinc/43/86/38/1135438638.db2.gz BVWBCLNMTXHJQV-HOTGVXAUSA-N -1 0 349.789 3.835 20 0 EHADRM CC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(Cl)c2[O-])c1 ZINC000775668740 1135458208 /nfs/dbraw/zinc/45/82/08/1135458208.db2.gz JZMHAAUVLVAZAW-UHFFFAOYSA-N -1 0 339.178 3.910 20 0 EHADRM O=C([O-])c1nc(/C=C\c2ccc(Cl)nc2)sc1Br ZINC000806564653 1135461542 /nfs/dbraw/zinc/46/15/42/1135461542.db2.gz FKLCKCASYPYPJZ-RQOWECAXSA-N -1 0 345.605 3.823 20 0 EHADRM O=C([O-])c1nc(/C=C/c2cccnc2Cl)sc1Br ZINC000806565691 1135461576 /nfs/dbraw/zinc/46/15/76/1135461576.db2.gz RUPMFMKFESOUAX-ONEGZZNKSA-N -1 0 345.605 3.823 20 0 EHADRM O=C(NCCc1ccc2ccccc2n1)c1cccc(Cl)c1[O-] ZINC000775677097 1135502580 /nfs/dbraw/zinc/50/25/80/1135502580.db2.gz FUDCZNMLVPRVIN-UHFFFAOYSA-N -1 0 326.783 3.566 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCC(OC2CCCCC2)CC1 ZINC000775685046 1135509147 /nfs/dbraw/zinc/50/91/47/1135509147.db2.gz YQONKMIIZIRWGH-UHFFFAOYSA-N -1 0 337.847 4.000 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)c2cccc(Cl)c2[O-])[NH+]2CCCC2)o1 ZINC000775689194 1135524611 /nfs/dbraw/zinc/52/46/11/1135524611.db2.gz AJVZGPWCEVELMD-OAHLLOKOSA-N -1 0 348.830 3.514 20 0 EHADRM CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1cccc(Cl)c1[O-] ZINC000775692517 1135531689 /nfs/dbraw/zinc/53/16/89/1135531689.db2.gz LCWMMWKHFUFLSC-UHFFFAOYSA-N -1 0 340.713 3.535 20 0 EHADRM C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cccc(Cl)c1[O-] ZINC000775698666 1135532711 /nfs/dbraw/zinc/53/27/11/1135532711.db2.gz QLIKVINAGACDDS-BLLLJJGKSA-N -1 0 331.799 3.648 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccccn3)c2)c(F)c1 ZINC001196383033 1135553015 /nfs/dbraw/zinc/55/30/15/1135553015.db2.gz LVADUSHGCHWUDX-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c3cnccc23)c(F)c1 ZINC001196387705 1135554024 /nfs/dbraw/zinc/55/40/24/1135554024.db2.gz UWFPQKNXGGSDDU-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM COc1ccccc1CCN(C)C(=O)c1cc(Cl)c(F)cc1[O-] ZINC001196463585 1135563305 /nfs/dbraw/zinc/56/33/05/1135563305.db2.gz UCDCLKFSPNAUEO-UHFFFAOYSA-N -1 0 337.778 3.508 20 0 EHADRM COC1CCC(CCNC(=O)c2cc(Cl)c(F)cc2[O-])CC1 ZINC001196478290 1135565577 /nfs/dbraw/zinc/56/55/77/1135565577.db2.gz RIYYUVRFKJGKOL-UHFFFAOYSA-N -1 0 329.799 3.510 20 0 EHADRM COc1ccc(F)c(S(=O)(=O)[N-]c2ccc(Cl)c(C)c2)c1 ZINC001196760917 1135602794 /nfs/dbraw/zinc/60/27/94/1135602794.db2.gz JOMYCEDFTMKPLO-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM COc1ccc(F)c(S(=O)(=O)[N-]c2ccc3ccccc3c2)c1 ZINC001196762185 1135603449 /nfs/dbraw/zinc/60/34/49/1135603449.db2.gz SGDCJDGUUFEITO-UHFFFAOYSA-N -1 0 331.368 3.788 20 0 EHADRM [O-]c1cc(F)cc(F)c1NC(=S)NCc1ccccc1Cl ZINC001196825229 1135619753 /nfs/dbraw/zinc/61/97/53/1135619753.db2.gz QNYUZDLTADQYJK-UHFFFAOYSA-N -1 0 328.771 3.810 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCSC[C@H]1c1ccccc1 ZINC000775746317 1135620267 /nfs/dbraw/zinc/62/02/67/1135620267.db2.gz IRZULPADPVYPBJ-HNNXBMFYSA-N -1 0 333.840 3.976 20 0 EHADRM Cc1cc(NC(=S)Nc2ccc(C(=O)[O-])cc2)cnc1OC(C)C ZINC001197082417 1135648270 /nfs/dbraw/zinc/64/82/70/1135648270.db2.gz DZUSDBFDRUPJKO-UHFFFAOYSA-N -1 0 345.424 3.684 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N[C@@H](c2ccc(F)cc2)C2CC2)cc1 ZINC001197137524 1135648949 /nfs/dbraw/zinc/64/89/49/1135648949.db2.gz VBIXEHMSNUREJZ-MRXNPFEDSA-N -1 0 344.411 3.962 20 0 EHADRM CCOc1ccc(NC(=S)Nc2ccc(C(=O)[O-])cc2)cc1F ZINC001197119893 1135652203 /nfs/dbraw/zinc/65/22/03/1135652203.db2.gz VPPVRKHNRAEXKI-UHFFFAOYSA-N -1 0 334.372 3.732 20 0 EHADRM Cc1cncc([C@H](NC(=S)Nc2ccc(C(=O)[O-])cc2)C2CC2)c1 ZINC001197146719 1135653918 /nfs/dbraw/zinc/65/39/18/1135653918.db2.gz CQUIYKAEXKWVRY-MRXNPFEDSA-N -1 0 341.436 3.526 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)n1 ZINC000808569824 1135695603 /nfs/dbraw/zinc/69/56/03/1135695603.db2.gz IQJYRAZKBBCSJQ-UHFFFAOYSA-N -1 0 330.381 3.542 20 0 EHADRM CCCc1cc([N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)on1 ZINC001197503424 1135701129 /nfs/dbraw/zinc/70/11/29/1135701129.db2.gz VSHSEAIUZQSWGB-UHFFFAOYSA-N -1 0 349.239 3.876 20 0 EHADRM O=S(=O)(Cc1c(F)cccc1F)[N-]c1cc(C2CCCC2)no1 ZINC001197564643 1135706366 /nfs/dbraw/zinc/70/63/66/1135706366.db2.gz LGGHYEADYHKYMJ-UHFFFAOYSA-N -1 0 342.367 3.552 20 0 EHADRM O=C(Nc1ccccc1[S-])c1ccc(OCC(F)(F)F)cn1 ZINC001197654039 1135716864 /nfs/dbraw/zinc/71/68/64/1135716864.db2.gz JROZGYLOMRMLPP-UHFFFAOYSA-N -1 0 328.315 3.564 20 0 EHADRM O=S(=O)(Cc1ccc(Cl)c(F)c1)[N-]c1cccc2ocnc21 ZINC001197672535 1135720239 /nfs/dbraw/zinc/72/02/39/1135720239.db2.gz IGQYOLLOLGJHPB-UHFFFAOYSA-N -1 0 340.763 3.562 20 0 EHADRM N#CCc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1 ZINC000081298168 1135734739 /nfs/dbraw/zinc/73/47/39/1135734739.db2.gz DUILZGUDPBNKMH-UHFFFAOYSA-N -1 0 340.326 3.572 20 0 EHADRM O=S(=O)([N-]c1cccnc1-c1ccccc1)c1cccc(Cl)n1 ZINC001198197196 1135787599 /nfs/dbraw/zinc/78/75/99/1135787599.db2.gz ISKULQUWZRSOTQ-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM Cc1cncc([N-]S(=O)(=O)c2ccccc2Oc2ccccc2)c1 ZINC001198443309 1135820153 /nfs/dbraw/zinc/82/01/53/1135820153.db2.gz MVRGNEMLSQSFRU-UHFFFAOYSA-N -1 0 340.404 3.983 20 0 EHADRM O=C([O-])c1c(F)cc(Nc2ncc(C(F)(F)F)cc2F)cc1F ZINC001203316784 1135843984 /nfs/dbraw/zinc/84/39/84/1135843984.db2.gz URXWPWPYUKTEGC-UHFFFAOYSA-N -1 0 336.191 3.960 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc3occc3c2)sn1 ZINC001198827404 1135857482 /nfs/dbraw/zinc/85/74/82/1135857482.db2.gz VHBQZZSSEYVHIM-UHFFFAOYSA-N -1 0 336.438 3.988 20 0 EHADRM COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198858891 1135861969 /nfs/dbraw/zinc/86/19/69/1135861969.db2.gz KPBMFXCUUZTLLM-UHFFFAOYSA-N -1 0 339.319 3.520 20 0 EHADRM COc1cnc(C(=O)Nc2c(Cl)ccc([O-])c2Cl)c(C)c1 ZINC001199754672 1135926539 /nfs/dbraw/zinc/92/65/39/1135926539.db2.gz BUDWZZTYVUZUNJ-UHFFFAOYSA-N -1 0 327.167 3.663 20 0 EHADRM CCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000776070511 1135948140 /nfs/dbraw/zinc/94/81/40/1135948140.db2.gz VMBZQPGTNZEWCB-HNNXBMFYSA-N -1 0 325.474 3.715 20 0 EHADRM Cc1cnc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)c(C)c1 ZINC001201252013 1135999163 /nfs/dbraw/zinc/99/91/63/1135999163.db2.gz QNZHESPNRMLRRV-UHFFFAOYSA-N -1 0 349.214 3.945 20 0 EHADRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1csc(Cl)c1 ZINC001201732775 1136062572 /nfs/dbraw/zinc/06/25/72/1136062572.db2.gz DPKATKLGWYRMSF-UHFFFAOYSA-N -1 0 329.255 3.621 20 0 EHADRM Cc1ccccc1-c1cnc(NC(=O)NO[C@H]2CCCCO2)s1 ZINC000161731542 1136064527 /nfs/dbraw/zinc/06/45/27/1136064527.db2.gz NHCROEIZCMVYDR-AWEZNQCLSA-N -1 0 333.413 3.698 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)NCCCOC2CCCCC2)c1 ZINC000811813538 1136144621 /nfs/dbraw/zinc/14/46/21/1136144621.db2.gz BKQFTPGFYLLTQS-UHFFFAOYSA-N -1 0 339.819 3.507 20 0 EHADRM CC(C)COc1ccc(C(C)(C)C(=O)[N-]O[C@@H]2CCCCO2)cc1 ZINC000107582017 1136173209 /nfs/dbraw/zinc/17/32/09/1136173209.db2.gz IKDXZVXYBCIUAS-QGZVFWFLSA-N -1 0 335.444 3.573 20 0 EHADRM O=C(Cn1c2ccccc2nc1C1CCCCC1)[N-]OC/C=C\Cl ZINC000812403505 1136202089 /nfs/dbraw/zinc/20/20/89/1136202089.db2.gz OELRAOOSQUMMLE-WDZFZDKYSA-N -1 0 347.846 3.884 20 0 EHADRM CC(C)OCCO[N-]C(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 ZINC000812808111 1136254428 /nfs/dbraw/zinc/25/44/28/1136254428.db2.gz SARXNPCHFUGUIH-INIZCTEOSA-N -1 0 343.423 3.594 20 0 EHADRM CC1=CC[C@](C)(C(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000850731216 1136298560 /nfs/dbraw/zinc/29/85/60/1136298560.db2.gz MTWATELMBQRZAM-IBGZPJMESA-N -1 0 343.448 3.781 20 0 EHADRM COC(=O)c1cc(-c2cc(C(=O)[O-])c(Cl)cc2Cl)ccn1 ZINC001245002384 1136316396 /nfs/dbraw/zinc/31/63/96/1136316396.db2.gz ZHVHBWWPWBBEGB-UHFFFAOYSA-N -1 0 326.135 3.540 20 0 EHADRM CCC1(C(=O)O[C@@H]2C[C@@H]([N-]C(=O)C(F)(F)F)c3ccccc32)CC1 ZINC000851176109 1136346560 /nfs/dbraw/zinc/34/65/60/1136346560.db2.gz NJCZNLBOERNYFH-CHWSQXEVSA-N -1 0 341.329 3.584 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cc(C)ccc1C ZINC000814015119 1136386703 /nfs/dbraw/zinc/38/67/03/1136386703.db2.gz SYUQHFRBASJBID-KRWDZBQOSA-N -1 0 331.437 3.514 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H]1CCCCC1(C)C ZINC000814020601 1136387055 /nfs/dbraw/zinc/38/70/55/1136387055.db2.gz DJMIUMRLSZZUJJ-CVEARBPZSA-N -1 0 337.485 3.800 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000814019632 1136387147 /nfs/dbraw/zinc/38/71/47/1136387147.db2.gz FWDXWRUVNRYYPB-ABFRBSLYSA-N -1 0 337.485 3.656 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1ccc(/C=C/C(=O)[O-])o1)c1ccccc1 ZINC000851593537 1136394931 /nfs/dbraw/zinc/39/49/31/1136394931.db2.gz ZTJUFXNNEONFIA-PXUDHTSWSA-N -1 0 327.380 3.895 20 0 EHADRM CC(C)Oc1ccc([C@@H](C)NC(=O)c2ccc(/C=C\C(=O)[O-])o2)cc1 ZINC000851594330 1136395090 /nfs/dbraw/zinc/39/50/90/1136395090.db2.gz IINNKUNUWYLFEQ-PRWOLLLXSA-N -1 0 343.379 3.656 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)c2ccc(/C=C\C(=O)[O-])o2)cc1C ZINC000851595481 1136395381 /nfs/dbraw/zinc/39/53/81/1136395381.db2.gz PHTXFXXPIALGDW-SECOEOQKSA-N -1 0 339.391 3.972 20 0 EHADRM Cc1ccc(CN(C(=O)c2ccc(/C=C/C(=O)[O-])o2)C(C)C)s1 ZINC000851595182 1136395413 /nfs/dbraw/zinc/39/54/13/1136395413.db2.gz OLJPDUYQHIIEPL-RMKNXTFCSA-N -1 0 333.409 3.798 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(/C=C\C(=O)[O-])o2)[C@@H]1c1cccc(F)c1 ZINC000851599716 1136395468 /nfs/dbraw/zinc/39/54/68/1136395468.db2.gz AXVDCIWSSSYOMI-AJFWZDNWSA-N -1 0 343.354 3.740 20 0 EHADRM O=S(=O)([N-]C1(c2ccccc2C(F)(F)F)CCC1)C(F)(F)F ZINC001252396141 1136415688 /nfs/dbraw/zinc/41/56/88/1136415688.db2.gz QFISIWCSRGKIAE-UHFFFAOYSA-N -1 0 347.280 3.524 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1c1nccc2ccc(Br)cc21 ZINC000852911930 1136492888 /nfs/dbraw/zinc/49/28/88/1136492888.db2.gz JDNNDHQGODZXLO-CMPLNLGQSA-N -1 0 349.228 3.687 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)cc1 ZINC000776630955 1136493772 /nfs/dbraw/zinc/49/37/72/1136493772.db2.gz CMJAEOLRNCORAR-VDFGQWLZSA-N -1 0 339.391 3.925 20 0 EHADRM COc1ccccc1Oc1ccc(C[N-]C(=O)C(F)(F)F)cc1 ZINC000110967539 1136494302 /nfs/dbraw/zinc/49/43/02/1136494302.db2.gz NYZXWNPXQKNTPS-UHFFFAOYSA-N -1 0 325.286 3.666 20 0 EHADRM O=C(N[C@@H](Cc1ccccc1)c1ccccn1)c1cccc(F)c1[O-] ZINC001134764442 1136525707 /nfs/dbraw/zinc/52/57/07/1136525707.db2.gz JDKSCWATNSTLKX-SFHVURJKSA-N -1 0 336.366 3.640 20 0 EHADRM C[C@@H]1CCCC[C@H]1CC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000776659545 1136529400 /nfs/dbraw/zinc/52/94/00/1136529400.db2.gz GAVXXSJFFXSWHN-BFQNTYOBSA-N -1 0 339.382 3.813 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccccc1Cl)c1ccc(F)cc1F ZINC000776659851 1136529594 /nfs/dbraw/zinc/52/95/94/1136529594.db2.gz RXRUKQOOONBKKD-CQSZACIVSA-N -1 0 339.725 3.564 20 0 EHADRM CC(C)C[C@@H](C)CC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000776663137 1136530953 /nfs/dbraw/zinc/53/09/53/1136530953.db2.gz XIMVOSKDBOBNPA-IAQYHMDHSA-N -1 0 327.371 3.669 20 0 EHADRM CCCCC1CCC(C(=O)[N-]S(=O)(=O)c2cc(C)oc2C)CC1 ZINC000776560483 1136536098 /nfs/dbraw/zinc/53/60/98/1136536098.db2.gz NAPSUMXMRBCVSS-UHFFFAOYSA-N -1 0 341.473 3.698 20 0 EHADRM CC[C@H](C)CO[N-]C(=O)C(=O)Nc1ccc(C(C)C)cc1C(C)C ZINC000815713896 1136632307 /nfs/dbraw/zinc/63/23/07/1136632307.db2.gz GUMGETVTLYGKJB-AWEZNQCLSA-N -1 0 334.460 3.966 20 0 EHADRM C[C@@]1(CCNC(=O)c2ccc3oc(=S)[n-]c3c2)CC1(Cl)Cl ZINC000854843099 1136647616 /nfs/dbraw/zinc/64/76/16/1136647616.db2.gz RZIHPRMFEYQKQU-CYBMUJFWSA-N -1 0 345.251 3.820 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)C(F)=C2CCCC2)c1C ZINC000815898072 1136648665 /nfs/dbraw/zinc/64/86/65/1136648665.db2.gz RHZSQSFBQVZVEG-UHFFFAOYSA-N -1 0 339.432 3.523 20 0 EHADRM O=C(NCCC[C@@H]1CC1(Cl)Cl)c1ccc2oc(=S)[n-]c2c1 ZINC000855032716 1136662451 /nfs/dbraw/zinc/66/24/51/1136662451.db2.gz HYBXVAIGFODNQQ-SECBINFHSA-N -1 0 345.251 3.820 20 0 EHADRM COc1cc2c(cc1F)CC[C@H]2N=c1nc(-c2ccccc2)[n-]s1 ZINC000509479536 1136663259 /nfs/dbraw/zinc/66/32/59/1136663259.db2.gz YXINLRMTXLJUBU-OAHLLOKOSA-N -1 0 341.411 3.874 20 0 EHADRM CC(C)C[C@@H](C)C(=O)[N-]S(=O)(=O)[C@@H](c1ccccc1)C(C)C ZINC000816112074 1136677551 /nfs/dbraw/zinc/67/75/51/1136677551.db2.gz MEOQZIYKMPPXQJ-GDBMZVCRSA-N -1 0 325.474 3.512 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@@H]1C=CCCC1 ZINC000816113326 1136678117 /nfs/dbraw/zinc/67/81/17/1136678117.db2.gz PSIPOXVLPDPGAT-CRAIPNDOSA-N -1 0 335.469 3.576 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC(c2ccco2)CC1 ZINC000855291330 1136682687 /nfs/dbraw/zinc/68/26/87/1136682687.db2.gz GAPFIMXSYCGPSI-UHFFFAOYSA-N -1 0 328.393 3.729 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCCSC[C@@H]1C1CC1 ZINC000888490287 1136689837 /nfs/dbraw/zinc/68/98/37/1136689837.db2.gz WPGIYCGPSPKMIJ-CYBMUJFWSA-N -1 0 329.824 3.542 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000113696746 1136734439 /nfs/dbraw/zinc/73/44/39/1136734439.db2.gz RXJRPHFENAGGPF-QZTJIDSGSA-N -1 0 345.464 3.578 20 0 EHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000855955720 1136744185 /nfs/dbraw/zinc/74/41/85/1136744185.db2.gz UHSLOIMCBNWDCN-DZGCQCFKSA-N -1 0 346.452 3.538 20 0 EHADRM O=C(CSCc1cc(-c2cccs2)on1)[N-]Oc1ccccc1 ZINC000816683951 1136748268 /nfs/dbraw/zinc/74/82/68/1136748268.db2.gz GPPMAISGDDDUMF-UHFFFAOYSA-N -1 0 346.433 3.747 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc3[n-]c(=S)oc3c2)Cc2ccccc2O1 ZINC000817048447 1136772211 /nfs/dbraw/zinc/77/22/11/1136772211.db2.gz VPJDWOMUWZGSQC-NSHDSACASA-N -1 0 340.404 3.540 20 0 EHADRM C[C@H](NC(=O)c1cccc(Cl)c1[O-])[C@H]1OCCc2sccc21 ZINC000817051746 1136772538 /nfs/dbraw/zinc/77/25/38/1136772538.db2.gz PNUBTADWDIXNPP-BJOHPYRUSA-N -1 0 337.828 3.539 20 0 EHADRM CN(CCNC(=O)c1cc(Cl)cc(Cl)c1[O-])c1ccccc1 ZINC001135808253 1136775175 /nfs/dbraw/zinc/77/51/75/1136775175.db2.gz SRQADMVXPFKCBN-UHFFFAOYSA-N -1 0 339.222 3.565 20 0 EHADRM C/C(=C\C(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1)c1cccs1 ZINC000856979787 1136829529 /nfs/dbraw/zinc/82/95/29/1136829529.db2.gz DTQCKCQZGLXFLM-XADBSNKSSA-N -1 0 341.432 3.968 20 0 EHADRM CCCC[C@H](C(=O)[N-]S(=O)(=O)c1cccc2ncccc21)C(C)C ZINC000857011884 1136832080 /nfs/dbraw/zinc/83/20/80/1136832080.db2.gz NVPUGKVNTFKMPN-AWEZNQCLSA-N -1 0 348.468 3.502 20 0 EHADRM CCCC[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(SC)cc1)C(C)C ZINC000857021645 1136833537 /nfs/dbraw/zinc/83/35/37/1136833537.db2.gz XSMLGEMGHSZDMK-OAHLLOKOSA-N -1 0 343.514 3.676 20 0 EHADRM Cc1cccc(N2CCN(C(=O)c3ccc(Cl)c([O-])c3)CC2)c1C ZINC001136105176 1136860533 /nfs/dbraw/zinc/86/05/33/1136860533.db2.gz JOAAKBFYMLNATH-UHFFFAOYSA-N -1 0 344.842 3.625 20 0 EHADRM CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)[N-]OCc1ccccc1 ZINC000857432735 1136869986 /nfs/dbraw/zinc/86/99/86/1136869986.db2.gz JVVHVGXQCQHRPD-QGZVFWFLSA-N -1 0 333.815 3.991 20 0 EHADRM COc1c(F)cc(F)cc1NC(=O)c1cc2c(cc1O)CCCC2 ZINC000857469316 1136874542 /nfs/dbraw/zinc/87/45/42/1136874542.db2.gz QGTDKGQJYDAZFA-UHFFFAOYSA-N -1 0 333.334 3.810 20 0 EHADRM C[C@H]1CCc2nc(C(=O)Nc3cc(Cl)cc(Cl)c3[O-])cn2C1 ZINC000857947421 1136924652 /nfs/dbraw/zinc/92/46/52/1136924652.db2.gz QWVFWTDGYIWHIN-QMMMGPOBSA-N -1 0 340.210 3.730 20 0 EHADRM O=C(Nc1nnc(C2CCCCC2)s1)c1cc2nc[nH]c2cc1F ZINC000819840251 1136963797 /nfs/dbraw/zinc/96/37/97/1136963797.db2.gz IRPYDJRBUVANGN-UHFFFAOYSA-N -1 0 345.403 3.854 20 0 EHADRM Cc1cc(NC(=O)c2nc[nH]c2C(F)(F)F)ccc1N1CCCC1 ZINC000820236555 1136983268 /nfs/dbraw/zinc/98/32/68/1136983268.db2.gz LFCJQMRBLUABID-UHFFFAOYSA-N -1 0 338.333 3.589 20 0 EHADRM O=C(Nc1cccc(OCc2cccc(F)c2)c1)c1ncccc1[O-] ZINC001136336078 1136990925 /nfs/dbraw/zinc/99/09/25/1136990925.db2.gz AHYIKGITNXTUNH-UHFFFAOYSA-N -1 0 338.338 3.758 20 0 EHADRM CC(=O)N(c1ccc(NC(=O)c2cccc(F)c2[O-])cc1)[C@@H]1C[C@@H]1C ZINC000820747114 1137004769 /nfs/dbraw/zinc/00/47/69/1137004769.db2.gz MZKUZPFIQCCVQB-APPDUMDISA-N -1 0 342.370 3.545 20 0 EHADRM O=C(NCCc1ccccc1C(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC001136407443 1137014468 /nfs/dbraw/zinc/01/44/68/1137014468.db2.gz ZTWYDLGWELOFSV-UHFFFAOYSA-N -1 0 345.267 3.662 20 0 EHADRM Cc1[nH]nc(C(=O)N(Cc2ccccc2)[C@@H](C)c2cccs2)c1[O-] ZINC001136444368 1137026586 /nfs/dbraw/zinc/02/65/86/1137026586.db2.gz JQCVAEPRBQUCBM-ZDUSSCGKSA-N -1 0 341.436 3.889 20 0 EHADRM CC[C@H]1CC[C@H](C)N1C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000821540471 1137031365 /nfs/dbraw/zinc/03/13/65/1137031365.db2.gz GXYNODDJIQESMH-JSGCOSHPSA-N -1 0 327.380 3.868 20 0 EHADRM CC(C)Oc1ccc(F)cc1NC(=O)c1cc(F)cc(F)c1[O-] ZINC001136582017 1137057050 /nfs/dbraw/zinc/05/70/50/1137057050.db2.gz RDITVNGSEWPZSW-UHFFFAOYSA-N -1 0 325.286 3.849 20 0 EHADRM CC(C)c1ccc2c(c1)CCCN2C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000822557965 1137064946 /nfs/dbraw/zinc/06/49/46/1137064946.db2.gz NYGFAONNDREYDT-UHFFFAOYSA-N -1 0 337.379 3.645 20 0 EHADRM CSCCCCCCC(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1 ZINC000860555504 1137066171 /nfs/dbraw/zinc/06/61/71/1137066171.db2.gz JGXNGWGGXNCCHA-CQSZACIVSA-N -1 0 343.514 3.507 20 0 EHADRM COc1nsc(OC)c1C(=O)Nc1nc2c(s1)c(C)ccc2C ZINC001136665770 1137084371 /nfs/dbraw/zinc/08/43/71/1137084371.db2.gz ZLNZRIAXHRUMSO-UHFFFAOYSA-N -1 0 349.437 3.639 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1cccc(C(F)(F)F)c1 ZINC000013448495 1137085809 /nfs/dbraw/zinc/08/58/09/1137085809.db2.gz OGSDCPSLFYBVRP-UHFFFAOYSA-N -1 0 335.281 3.607 20 0 EHADRM CCC(CC)[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000823328538 1137095275 /nfs/dbraw/zinc/09/52/75/1137095275.db2.gz HVYXHPBPHAWPRD-BONVTDFDSA-N -1 0 327.371 3.669 20 0 EHADRM CCc1ccc(C(=O)N[C@@](C)(CC(=O)[O-])c2cccc(F)c2)s1 ZINC000823341021 1137095658 /nfs/dbraw/zinc/09/56/58/1137095658.db2.gz JFWREAWPHPPBSX-KRWDZBQOSA-N -1 0 335.400 3.570 20 0 EHADRM C[C@H]1CC2(CN1C(=O)c1cc(Cl)cc(Cl)c1[O-])CCOCC2 ZINC000823674165 1137109250 /nfs/dbraw/zinc/10/92/50/1137109250.db2.gz SLWFXQJKDOSNEC-JTQLQIEISA-N -1 0 344.238 3.730 20 0 EHADRM CC(C)O[C@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000823871176 1137117236 /nfs/dbraw/zinc/11/72/36/1137117236.db2.gz RBNUTIYQFRPJKQ-NSHDSACASA-N -1 0 332.227 3.729 20 0 EHADRM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CCC[C@H](OC2CCC2)C1 ZINC000824293174 1137130880 /nfs/dbraw/zinc/13/08/80/1137130880.db2.gz XZDUCNYLSDZAPJ-LBPRGKRZSA-N -1 0 344.238 3.873 20 0 EHADRM COc1ccc([C@H]2CCCN2C(=O)c2cccc(F)c2[O-])cc1F ZINC000825250542 1137170618 /nfs/dbraw/zinc/17/06/18/1137170618.db2.gz ASZMOOCFTGPUFH-OAHLLOKOSA-N -1 0 333.334 3.656 20 0 EHADRM COc1cccc2nc(NC(=O)c3cc(F)cc(F)c3[O-])sc21 ZINC001143692072 1137189729 /nfs/dbraw/zinc/18/97/29/1137189729.db2.gz RPDNGKRWVNUPBA-UHFFFAOYSA-N -1 0 336.319 3.541 20 0 EHADRM COC(=O)c1cccc([C@@H](C)Nc2ccc3c(c2)NC(=S)C3)c1 ZINC001171111999 1137203432 /nfs/dbraw/zinc/20/34/32/1137203432.db2.gz XBPTYWCRFFEJDI-LLVKDONJSA-N -1 0 326.421 3.942 20 0 EHADRM O=C([O-])CCCC(=O)N1CCC(c2cccc3ccccc32)CC1 ZINC000844247191 1137204977 /nfs/dbraw/zinc/20/49/77/1137204977.db2.gz DLKDVXCIDPADGV-UHFFFAOYSA-N -1 0 325.408 3.801 20 0 EHADRM Cc1ccc(C(=O)N2CCC[C@@H]2Cc2cccc(F)c2)cc1C(=O)[O-] ZINC000864105346 1137215240 /nfs/dbraw/zinc/21/52/40/1137215240.db2.gz WQOHBVSFHHOXPI-QGZVFWFLSA-N -1 0 341.382 3.680 20 0 EHADRM COc1ccc(OC(C)C)c(NC(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000864109777 1137215483 /nfs/dbraw/zinc/21/54/83/1137215483.db2.gz YOTZJTMJLLKQEB-UHFFFAOYSA-N -1 0 343.379 3.741 20 0 EHADRM CCc1cccc2[nH]c(C(=O)N3CCC[C@@H](C(C)(C)C(=O)[O-])C3)cc21 ZINC000864133680 1137216653 /nfs/dbraw/zinc/21/66/53/1137216653.db2.gz WXNARXBROQNLAA-CQSZACIVSA-N -1 0 342.439 3.693 20 0 EHADRM Cc1ccc(C(=O)N(C)Cc2cccc(OC(C)C)c2)cc1C(=O)[O-] ZINC000864135299 1137216918 /nfs/dbraw/zinc/21/69/18/1137216918.db2.gz DKBANUMYAHSXFE-UHFFFAOYSA-N -1 0 341.407 3.753 20 0 EHADRM Cc1cc(C)cc([C@H]2CCN(C(=O)/C=C\c3ccc(C(=O)[O-])o3)C2)c1 ZINC000864137493 1137216927 /nfs/dbraw/zinc/21/69/27/1137216927.db2.gz ZIPYTFFPTKHAOZ-VOKGJARPSA-N -1 0 339.391 3.624 20 0 EHADRM Cc1cc(C)cc([C@@H]2CCN(C(=O)/C=C\c3cc(C(=O)[O-])co3)C2)c1 ZINC000864136848 1137216973 /nfs/dbraw/zinc/21/69/73/1137216973.db2.gz CXXNRSZWUVQOKS-ABCZVMIZSA-N -1 0 339.391 3.624 20 0 EHADRM Cc1cc2c(CC(=O)N[C@H]3CCC[C@]3(C)C(=O)[O-])csc2s1 ZINC000864156517 1137217442 /nfs/dbraw/zinc/21/74/42/1137217442.db2.gz YFHJAVXHSNIGQF-LRDDRELGSA-N -1 0 337.466 3.573 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CNC(=O)c2cc(C(=O)[O-])ccc2Cl)o1 ZINC000864177405 1137217851 /nfs/dbraw/zinc/21/78/51/1137217851.db2.gz DBDKFOKFSNOEIQ-BXKDBHETSA-N -1 0 333.771 3.685 20 0 EHADRM CC[C@H](c1ccccc1OC)N(C)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000864176949 1137217882 /nfs/dbraw/zinc/21/78/82/1137217882.db2.gz AHUZGEOQYZDKMD-HBIYDYFMSA-N -1 0 343.379 3.609 20 0 EHADRM Cc1cc(Cl)ccc1C1=CCN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC000864173644 1137217914 /nfs/dbraw/zinc/21/79/14/1137217914.db2.gz OJRDWAIMDGUYAH-CABCVRRESA-N -1 0 347.842 3.765 20 0 EHADRM CC[C@@H](c1ccccc1OC)N(C)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000864176951 1137217940 /nfs/dbraw/zinc/21/79/40/1137217940.db2.gz AHUZGEOQYZDKMD-PABFRNLHSA-N -1 0 343.379 3.609 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)CC1CCC(C(F)(F)F)CC1)C1CC1 ZINC000864203727 1137218817 /nfs/dbraw/zinc/21/88/17/1137218817.db2.gz HQMMBERYGIYFMD-QHAMSDLMSA-N -1 0 335.366 3.505 20 0 EHADRM CC(C)C[C@@H](C(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000864211490 1137219140 /nfs/dbraw/zinc/21/91/40/1137219140.db2.gz REWQZCVKZZXRRX-GKDNMFGBSA-N -1 0 349.858 3.839 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)C[C@@]23CCCC[C@@H]2C3(F)F)c2ccccc21 ZINC000864226640 1137219295 /nfs/dbraw/zinc/21/92/95/1137219295.db2.gz MFXBTZCZHNZKJP-MRAWALMUSA-N -1 0 349.377 3.807 20 0 EHADRM O=C([O-])c1sccc1NC(=O)c1ccc(C2CCOCC2)cc1 ZINC000864358386 1137223352 /nfs/dbraw/zinc/22/33/52/1137223352.db2.gz XGRGZJVJMBPRKD-UHFFFAOYSA-N -1 0 331.393 3.593 20 0 EHADRM Cc1c(CSC(C)C)cccc1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000864595124 1137236154 /nfs/dbraw/zinc/23/61/54/1137236154.db2.gz JVFZIXGRQWCXTN-OKILXGFUSA-N -1 0 336.457 3.621 20 0 EHADRM C/C(=C/c1ccc(-c2ccccc2OC[C@H]2CCOC2)o1)C(=O)[O-] ZINC000864609399 1137236450 /nfs/dbraw/zinc/23/64/50/1137236450.db2.gz USXBBXWNJBTOQZ-ZVHGMHCTSA-N -1 0 328.364 3.850 20 0 EHADRM CC(C)Oc1cccc(CNC(=O)Cc2ccc(O)c(Cl)c2)c1 ZINC000864920943 1137252639 /nfs/dbraw/zinc/25/26/39/1137252639.db2.gz JAAOQEGTVGUABF-UHFFFAOYSA-N -1 0 333.815 3.692 20 0 EHADRM O=C([O-])c1c2c(nc3ccccc31)/C(=C\c1cn(C3CC3)cn1)CC2 ZINC000865214294 1137268498 /nfs/dbraw/zinc/26/84/98/1137268498.db2.gz QNKJOPCUYHZNOL-XFXZXTDPSA-N -1 0 331.375 3.951 20 0 EHADRM CC(C)(C)CCCCCC(=O)Nc1nc[n-]c(=O)c1Br ZINC001144679616 1137328293 /nfs/dbraw/zinc/32/82/93/1137328293.db2.gz XGSRSZLRUORBTG-UHFFFAOYSA-N -1 0 344.253 3.880 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1C[C@@H]1C1CCCC1)c1cccc(Cl)c1 ZINC000846117443 1137334221 /nfs/dbraw/zinc/33/42/21/1137334221.db2.gz PYTCCOLOCSKWJY-PMPSAXMXSA-N -1 0 335.831 3.798 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1C[N@H+](Cc1csc(-c3ccsc3)n1)C2 ZINC000846285433 1137345195 /nfs/dbraw/zinc/34/51/95/1137345195.db2.gz SYDXHGNJZNHVLT-LRDDRELGSA-N -1 0 334.466 3.558 20 0 EHADRM O=S(=O)([N-][C@@H]1CC=CC[C@H]1C(F)(F)F)c1sccc1Cl ZINC000867848562 1137387937 /nfs/dbraw/zinc/38/79/37/1137387937.db2.gz KDHRYYWFIDQNAV-VXNVDRBHSA-N -1 0 345.795 3.577 20 0 EHADRM CC(C)c1ccc(CCCNC(=O)c2s[n-]c(=O)c2Cl)cc1 ZINC001146290175 1137388413 /nfs/dbraw/zinc/38/84/13/1137388413.db2.gz FCUSQMPAMZIRJP-UHFFFAOYSA-N -1 0 338.860 3.988 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC[C@@H](c2cccnc2)C1 ZINC000869051852 1137434983 /nfs/dbraw/zinc/43/49/83/1137434983.db2.gz BFOZNRSUVDTYSJ-CQSZACIVSA-N -1 0 339.420 3.531 20 0 EHADRM COc1cc(F)cc(CNC(=O)c2cc(Cl)cc(Cl)c2[O-])c1 ZINC001148814217 1137435792 /nfs/dbraw/zinc/43/57/92/1137435792.db2.gz QTSAZCQULBWEGH-UHFFFAOYSA-N -1 0 344.169 3.777 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N(C)C2CCC(F)(F)CC2)s1 ZINC000348165357 1137447961 /nfs/dbraw/zinc/44/79/61/1137447961.db2.gz JSEMCWGJOWOISA-UHFFFAOYSA-N -1 0 346.447 3.905 20 0 EHADRM CC(C)NC(=O)Nc1cccc(C([O-])(C(F)(F)F)C(F)(F)F)c1 ZINC001202528444 1137455602 /nfs/dbraw/zinc/45/56/02/1137455602.db2.gz JGFMWCJUKRKXDR-UHFFFAOYSA-N -1 0 344.255 3.529 20 0 EHADRM Cc1ccc(-c2nc(CC(=O)[N-]OCc3ccccc3)cs2)cc1 ZINC000018182894 1137491087 /nfs/dbraw/zinc/49/10/87/1137491087.db2.gz RNOBJDRVWSNZOQ-UHFFFAOYSA-N -1 0 338.432 3.909 20 0 EHADRM CC1(C)CCc2c([n-]n(-c3nc(-c4ccc(Cl)cc4)no3)c2=O)C1 ZINC000871950750 1137563528 /nfs/dbraw/zinc/56/35/28/1137563528.db2.gz GRFXFIQZLVECDX-LBPRGKRZSA-N -1 0 344.802 3.919 20 0 EHADRM O=S(=O)([N-]c1ccc(N2CCCC2)cc1)c1ccc(C(F)F)o1 ZINC000872002005 1137564285 /nfs/dbraw/zinc/56/42/85/1137564285.db2.gz CILXFQXDLRAZRD-UHFFFAOYSA-N -1 0 342.367 3.618 20 0 EHADRM Cc1ccc(CN2CCO[C@@H](c3cccc(Cl)c3)C2)cc1C(=O)[O-] ZINC000872159013 1137574599 /nfs/dbraw/zinc/57/45/99/1137574599.db2.gz KXKAVLQEWNASAR-GOSISDBHSA-N -1 0 345.826 3.920 20 0 EHADRM O=C([O-])[C@H](c1cccc(Cl)c1)N1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000872166612 1137575001 /nfs/dbraw/zinc/57/50/01/1137575001.db2.gz ZOAURYFLPWBCCZ-IRXDYDNUSA-N -1 0 349.789 3.758 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1)C1=CCCCC1 ZINC000124216080 1137583143 /nfs/dbraw/zinc/58/31/43/1137583143.db2.gz CLMJDYPKGUXKJZ-UHFFFAOYSA-N -1 0 341.432 3.659 20 0 EHADRM O=C([O-])[C@H](CC1CC1)NC(=O)c1occc1CSc1ccccc1 ZINC000872746709 1137583569 /nfs/dbraw/zinc/58/35/69/1137583569.db2.gz KGZKOJBPKDKPCS-HNNXBMFYSA-N -1 0 345.420 3.555 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)N1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000872766172 1137583986 /nfs/dbraw/zinc/58/39/86/1137583986.db2.gz URBKVDXEQNPHPL-RIFZZMRRSA-N -1 0 329.440 3.501 20 0 EHADRM CCCn1c(C(=O)N2CC[C@]3(C(=O)[O-])CCC[C@H]23)cc2ccccc21 ZINC000872766185 1137584057 /nfs/dbraw/zinc/58/40/57/1137584057.db2.gz VIKOVGWVGGGQFJ-FXAWDEMLSA-N -1 0 340.423 3.521 20 0 EHADRM CCO[C@H]1C[C@H](NC(=O)c2ccc3oc(=S)[n-]c3c2)C1(CC)CC ZINC001137062866 1137584586 /nfs/dbraw/zinc/58/45/86/1137584586.db2.gz GJXQWVXYHIDXQT-GJZGRUSLSA-N -1 0 348.468 3.830 20 0 EHADRM CCC[C@@H](NC(=O)C(C)(C)SCC(=O)[O-])c1ccc(F)cc1F ZINC000872848211 1137585449 /nfs/dbraw/zinc/58/54/49/1137585449.db2.gz IDCSIJOTHDYNDK-CYBMUJFWSA-N -1 0 345.411 3.519 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1cccc(SC(F)F)c1 ZINC000872844515 1137585456 /nfs/dbraw/zinc/58/54/56/1137585456.db2.gz UTLFQKHBOMYCJS-SFYZADRCSA-N -1 0 335.397 3.535 20 0 EHADRM CSc1ccc(NC(=O)C(C)(C)SCC(=O)[O-])cc1Cl ZINC000872849925 1137585613 /nfs/dbraw/zinc/58/56/13/1137585613.db2.gz XDDQPKSAQGAZNQ-UHFFFAOYSA-N -1 0 333.862 3.597 20 0 EHADRM CC(C)(CCC(=O)[O-])C(=O)NCc1cn(C(F)F)c2ccccc12 ZINC000872881808 1137586008 /nfs/dbraw/zinc/58/60/08/1137586008.db2.gz PNCRVRLDKFEYTP-UHFFFAOYSA-N -1 0 338.354 3.544 20 0 EHADRM Cc1cccc([C@H]2CCCCN2C(=O)C(C)(C)SCC(=O)[O-])c1C ZINC000872939241 1137586678 /nfs/dbraw/zinc/58/66/78/1137586678.db2.gz ADXBNXRHYGWYAB-MRXNPFEDSA-N -1 0 349.496 3.953 20 0 EHADRM CC(C)(NC(=O)[C@](C)(CC(=O)[O-])c1ccsc1)c1ccc(F)cc1 ZINC000872948420 1137586774 /nfs/dbraw/zinc/58/67/74/1137586774.db2.gz DJFPGVWFXVKHOS-GOSISDBHSA-N -1 0 349.427 3.671 20 0 EHADRM C[C@](CC(=O)N[C@@H]1C=CCC1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000872981560 1137587441 /nfs/dbraw/zinc/58/74/41/1137587441.db2.gz FBBCUGCZRUCMGL-BDJLRTHQSA-N -1 0 342.222 3.561 20 0 EHADRM O=C([O-])C1(CC(=O)NCc2cccc3ncccc23)CCCCCC1 ZINC000873005715 1137587871 /nfs/dbraw/zinc/58/78/71/1137587871.db2.gz YHXPBOBYEVGSCV-UHFFFAOYSA-N -1 0 340.423 3.666 20 0 EHADRM CCC(F)(F)c1ccccc1NC(=O)C(=O)[N-]OC1CCCCC1 ZINC000873810488 1137606932 /nfs/dbraw/zinc/60/69/32/1137606932.db2.gz RPHBNQHNMNWYTE-UHFFFAOYSA-N -1 0 340.370 3.507 20 0 EHADRM C/C=C\COc1ccc(-c2ccc(OCC(=O)[O-])c(C=O)c2)cc1 ZINC000874969695 1137627209 /nfs/dbraw/zinc/62/72/09/1137627209.db2.gz SAFOSZPNZOOEKI-IHWYPQMZSA-N -1 0 326.348 3.584 20 0 EHADRM COCC[C@H](Cc1cccc(-c2ccc(C=O)c(F)c2)c1)C(=O)[O-] ZINC000874973407 1137627289 /nfs/dbraw/zinc/62/72/89/1137627289.db2.gz JJGORLDIULMNTR-MRXNPFEDSA-N -1 0 330.355 3.585 20 0 EHADRM Cc1nn(Cc2cccc(-c3cccc(C=O)c3)c2)c(C)c1C(=O)[O-] ZINC000874971993 1137627341 /nfs/dbraw/zinc/62/73/41/1137627341.db2.gz HVCGKGCEBACNKP-UHFFFAOYSA-N -1 0 334.375 3.726 20 0 EHADRM CC[C@@](C)(NC(=O)c1ccc2oc(=S)[n-]c2c1)c1nccs1 ZINC000828430495 1137643840 /nfs/dbraw/zinc/64/38/40/1137643840.db2.gz IOVJHVJPQUESRJ-OAHLLOKOSA-N -1 0 333.438 3.628 20 0 EHADRM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000879348201 1137745103 /nfs/dbraw/zinc/74/51/03/1137745103.db2.gz GPAINKASHZOTII-FUXBKTLASA-N -1 0 340.210 3.727 20 0 EHADRM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000879359292 1137745346 /nfs/dbraw/zinc/74/53/46/1137745346.db2.gz RFEJBBZCUOTHEA-UHLUBPPHSA-N -1 0 340.210 3.727 20 0 EHADRM CSc1cccc(NC(=O)COC(=O)c2cc3ccsc3[nH]2)c1 ZINC000023345793 1137748767 /nfs/dbraw/zinc/74/87/67/1137748767.db2.gz HFSMAUPAHCCSFC-UHFFFAOYSA-N -1 0 346.433 3.747 20 0 EHADRM CCONC(=O)CCc1c2ccccc2[nH]c1-c1ccc(OC)cc1 ZINC000023422362 1137752060 /nfs/dbraw/zinc/75/20/60/1137752060.db2.gz HVLNDLYCUVSRGJ-UHFFFAOYSA-N -1 0 338.407 3.844 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]C(=O)C[C@H](C)c2ccccc2)c1 ZINC000129949826 1137832609 /nfs/dbraw/zinc/83/26/09/1137832609.db2.gz PDSWTEPODMBYPM-HNNXBMFYSA-N -1 0 345.464 3.809 20 0 EHADRM O=S(=O)([N-]c1ncsc1C1CC1)c1ccccc1C(F)(F)F ZINC000882771228 1137833891 /nfs/dbraw/zinc/83/38/91/1137833891.db2.gz TXAXWKITOCQIJI-UHFFFAOYSA-N -1 0 348.371 3.840 20 0 EHADRM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]c2nn(C)cc2Cl)c1 ZINC000882796577 1137834423 /nfs/dbraw/zinc/83/44/23/1137834423.db2.gz ICDRFMQIJIYMAA-UHFFFAOYSA-N -1 0 348.255 3.651 20 0 EHADRM CC(C)COC[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1ccco1 ZINC000101671335 1137871228 /nfs/dbraw/zinc/87/12/28/1137871228.db2.gz IXMXUIFPVAQWNN-AWEZNQCLSA-N -1 0 337.803 3.782 20 0 EHADRM COc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)c(O)c1 ZINC000029088492 1137878184 /nfs/dbraw/zinc/87/81/84/1137878184.db2.gz GOCFANHHYQPYAL-UHFFFAOYSA-N -1 0 333.413 3.552 20 0 EHADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)c1nc(-c2ccc(Cl)cc2)no1 ZINC000282859284 1137886364 /nfs/dbraw/zinc/88/63/64/1137886364.db2.gz YFWOGVPGSFRFRN-JTQLQIEISA-N -1 0 347.724 3.766 20 0 EHADRM Cc1cccc(S([O-])=CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)c1 ZINC000108102489 1137888686 /nfs/dbraw/zinc/88/86/86/1137888686.db2.gz SARYYNPTVDIPFE-HJPURHCSSA-N -1 0 329.465 3.597 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N[C@H](CC)c2ccc(OC)cc2)s1 ZINC000348291840 1137904859 /nfs/dbraw/zinc/90/48/59/1137904859.db2.gz JCQPXZFIZXQAMN-CQSZACIVSA-N -1 0 348.472 3.584 20 0 EHADRM CC(C)c1noc(CSc2n[n-]c(=NC3CCCCC3)s2)n1 ZINC000331428665 1137908019 /nfs/dbraw/zinc/90/80/19/1137908019.db2.gz LXXYEFUZBFDOIW-UHFFFAOYSA-N -1 0 339.490 3.503 20 0 EHADRM CC[C@@H]1CC[C@@H](C)N1C(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000331446445 1137908785 /nfs/dbraw/zinc/90/87/85/1137908785.db2.gz WUPFFLBBYWFVCY-GHMZBOCLSA-N -1 0 336.486 3.792 20 0 EHADRM C[C@@H]1CCN(C(=O)N=c2[n-]nc(-c3ccsc3)s2)CC1(C)C ZINC000331930662 1137926023 /nfs/dbraw/zinc/92/60/23/1137926023.db2.gz LANYERUSOIQSML-SNVBAGLBSA-N -1 0 336.486 3.588 20 0 EHADRM CC[C@@H]1CCCN1C(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000332152084 1137933596 /nfs/dbraw/zinc/93/35/96/1137933596.db2.gz HKHQITSBMCJLHC-SNVBAGLBSA-N -1 0 336.848 3.687 20 0 EHADRM Cc1cc(C)c([N-]S(=O)(=O)c2cn3c(n2)CCC[C@@H]3C)c(C)c1 ZINC000332230701 1137936572 /nfs/dbraw/zinc/93/65/72/1137936572.db2.gz OILBQGMCSPAYKK-AWEZNQCLSA-N -1 0 333.457 3.506 20 0 EHADRM O=C(NC[C@@]1(c2ccccc2)CCCO1)c1cc(F)c([O-])c(Cl)c1 ZINC000885952872 1138027842 /nfs/dbraw/zinc/02/78/42/1138027842.db2.gz NZOHUXCSUKVQAR-GOSISDBHSA-N -1 0 349.789 3.620 20 0 EHADRM CCSCc1cccnc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000886444528 1138078680 /nfs/dbraw/zinc/07/86/80/1138078680.db2.gz AFXLPEUMHNZAPT-UHFFFAOYSA-N -1 0 340.445 3.583 20 0 EHADRM C[C@@H](O)C[C@@H]1CCCN1C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000093241704 1138235323 /nfs/dbraw/zinc/23/53/23/1138235323.db2.gz XPZZNTDJKADHGT-NEPJUHHUSA-N -1 0 333.815 3.574 20 0 EHADRM CC(C)(CCC(=O)[O-])C(=O)Nc1ccc2c(c1)C=CC1(CCC1)O2 ZINC000887324188 1138266092 /nfs/dbraw/zinc/26/60/92/1138266092.db2.gz UTBFABBFEXJHBB-UHFFFAOYSA-N -1 0 329.396 3.844 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(C(F)F)cc1F)C1CCCC1 ZINC000887327155 1138267222 /nfs/dbraw/zinc/26/72/22/1138267222.db2.gz YRQASKYCBLOULR-CYBMUJFWSA-N -1 0 329.318 3.527 20 0 EHADRM CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2ccc(F)cc2[O-])c1 ZINC000123831359 1138275027 /nfs/dbraw/zinc/27/50/27/1138275027.db2.gz WSQUDOMRASPHKJ-DEOSSOPVSA-N -1 0 349.427 3.831 20 0 EHADRM COc1ccc([C@H]2CCN(C(=O)c3cc(F)cc(Cl)c3[O-])C2)cc1 ZINC000128928868 1138400694 /nfs/dbraw/zinc/40/06/94/1138400694.db2.gz ZUBDIFZHNOZMBL-LBPRGKRZSA-N -1 0 349.789 3.823 20 0 EHADRM O=S(=O)([N-]c1ccc(F)c(C2CC2)c1)c1ccc(F)cc1F ZINC000337128983 1138473879 /nfs/dbraw/zinc/47/38/79/1138473879.db2.gz BDNMTPSTMHYAQF-UHFFFAOYSA-N -1 0 327.327 3.782 20 0 EHADRM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cccc(C)n3)c2)n1 ZINC000337142089 1138477943 /nfs/dbraw/zinc/47/79/43/1138477943.db2.gz SVMDXTWFDSQKCT-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000131463240 1138519798 /nfs/dbraw/zinc/51/97/98/1138519798.db2.gz UJMQYBDNFGPTAL-BDJLRTHQSA-N -1 0 349.789 3.787 20 0 EHADRM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1ccc2c(c1)CCO2 ZINC000348459404 1138644792 /nfs/dbraw/zinc/64/47/92/1138644792.db2.gz YFGSZEHUOHQAOC-UHFFFAOYSA-N -1 0 347.367 3.616 20 0 EHADRM CCc1oncc1[N-]S(=O)(=O)c1csc2ccc(Cl)cc12 ZINC000337857711 1138683363 /nfs/dbraw/zinc/68/33/63/1138683363.db2.gz LNSGSPGCXKTVKU-UHFFFAOYSA-N -1 0 342.829 3.906 20 0 EHADRM C[C@]1(c2ccccc2)CCC[N@H+](Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000264967743 1138689710 /nfs/dbraw/zinc/68/97/10/1138689710.db2.gz OSNRPNSXTHPGJU-IBGZPJMESA-N -1 0 339.464 3.951 20 0 EHADRM CCc1nc2cc(CN=c3[n-]nc(C4CC4)s3)ccc2n1C1CC1 ZINC000338488960 1138938036 /nfs/dbraw/zinc/93/80/36/1138938036.db2.gz IOVPQPRDTWTLGD-UHFFFAOYSA-N -1 0 339.468 3.697 20 0 EHADRM CC[C@@](C)(NC(=O)C(F)(F)c1ccc(OC)cc1)c1nccs1 ZINC000152911803 1139113323 /nfs/dbraw/zinc/11/33/23/1139113323.db2.gz JFLQAYPMGAFYNW-OAHLLOKOSA-N -1 0 340.395 3.685 20 0 EHADRM Cc1cc(C)c(CNC(=O)CSc2n[n-]c(=S)s2)c(C)c1 ZINC000175075513 1139461886 /nfs/dbraw/zinc/46/18/86/1139461886.db2.gz FBUCBSICCHIYPZ-UHFFFAOYSA-N -1 0 339.511 3.534 20 0 EHADRM CCCCCc1nnc(NC(=O)c2cc(F)c([O-])c(F)c2)s1 ZINC000177021626 1139593363 /nfs/dbraw/zinc/59/33/63/1139593363.db2.gz WPSPTLFLTZTOIW-UHFFFAOYSA-N -1 0 327.356 3.507 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])C1(c2ccccc2)CCOCC1 ZINC000179724360 1139778154 /nfs/dbraw/zinc/77/81/54/1139778154.db2.gz RSWBKHZTRRUOAD-UHFFFAOYSA-N -1 0 331.799 3.733 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)C[C@H]2CCC[C@@H](C)C2)c1Cl ZINC000777349410 1139784532 /nfs/dbraw/zinc/78/45/32/1139784532.db2.gz JTWJSGXOGFLRPN-YPMHNXCESA-N -1 0 343.876 3.670 20 0 EHADRM C/C(=C\C(=O)N(CCCC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC000777391460 1140015525 /nfs/dbraw/zinc/01/55/25/1140015525.db2.gz OAFAXDUDEZTOST-BMRADRMJSA-N -1 0 337.419 3.984 20 0 EHADRM O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(F)c(F)c([O-])c1F ZINC000183361203 1140032179 /nfs/dbraw/zinc/03/21/79/1140032179.db2.gz XGRIHYSJVLCLOF-UHFFFAOYSA-N -1 0 325.330 3.508 20 0 EHADRM CCC(CC)[C@@H]1C[C@@H](NC(=O)c2ccc([O-])c(Cl)c2)CCO1 ZINC000183610663 1140049574 /nfs/dbraw/zinc/04/95/74/1140049574.db2.gz SMUIPAFTFBDBEY-BBRMVZONSA-N -1 0 325.836 3.759 20 0 EHADRM CC[C@H]1CN(C(=O)c2cc(C(=O)[O-])co2)CC[C@@H]1c1ccccc1 ZINC000183815097 1140059689 /nfs/dbraw/zinc/05/96/89/1140059689.db2.gz HRQBPKZEDYLIGJ-BBRMVZONSA-N -1 0 327.380 3.634 20 0 EHADRM Cc1occc1S([O-])=CC(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000189626365 1140355955 /nfs/dbraw/zinc/35/59/55/1140355955.db2.gz RVQHPNPUFBVBQU-QMHKHESXSA-N -1 0 333.453 3.599 20 0 EHADRM CCCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1c(C)nn(C)c1C ZINC000191271562 1140449869 /nfs/dbraw/zinc/44/98/69/1140449869.db2.gz WKRYLMNIDSPVOJ-UHFFFAOYSA-N -1 0 349.500 3.914 20 0 EHADRM C[C@@H](C(=O)Nc1cccc(Cl)c1[O-])[C@H](C)NC(=O)OC(C)(C)C ZINC000191876894 1140491026 /nfs/dbraw/zinc/49/10/26/1140491026.db2.gz PANSRMNPQTYTIG-ZJUUUORDSA-N -1 0 342.823 3.533 20 0 EHADRM Cn1nc(C2CCCC2)cc1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000192459297 1140533957 /nfs/dbraw/zinc/53/39/57/1140533957.db2.gz CCOOYYNXVRHHKT-UHFFFAOYSA-N -1 0 337.782 3.828 20 0 EHADRM CC(C)c1ccc(C[C@H](C)NC(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000192971900 1140557340 /nfs/dbraw/zinc/55/73/40/1140557340.db2.gz OWOWPCGFTBQUDH-NNGSBXSVSA-N -1 0 331.456 3.748 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(Cl)cc2)cnn1C1CCCC1 ZINC000194230237 1140602466 /nfs/dbraw/zinc/60/24/66/1140602466.db2.gz SUEBKBPUPWXGIL-UHFFFAOYSA-N -1 0 339.848 3.761 20 0 EHADRM O=C([O-])C1CCC(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)CC1 ZINC000194390545 1140607810 /nfs/dbraw/zinc/60/78/10/1140607810.db2.gz PDBGRHNPHZWCRJ-UHFFFAOYSA-N -1 0 335.831 3.722 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@H](c2ccccc2)C2CC2)cc1C ZINC000194493197 1140611897 /nfs/dbraw/zinc/61/18/97/1140611897.db2.gz ADFKQFGJTCDRFD-YKSBVNFPSA-N -1 0 341.476 3.679 20 0 EHADRM Cc1ccc(C)c(S([O-])=CC(=O)N[C@H](c2ccccc2)C2CC2)c1 ZINC000194495529 1140612082 /nfs/dbraw/zinc/61/20/82/1140612082.db2.gz SKYIVQMJIIXGIV-YKSBVNFPSA-N -1 0 341.476 3.679 20 0 EHADRM CCc1nc([C@@H](C)NC(=O)c2cc(F)c([O-])c(Cl)c2)cs1 ZINC000194693949 1140619270 /nfs/dbraw/zinc/61/92/70/1140619270.db2.gz HAHRHRVLKVPRTR-SSDOTTSWSA-N -1 0 328.796 3.695 20 0 EHADRM CC(C)CO[N-]C(=O)COc1ccc(C2SCCCS2)cc1 ZINC000269656829 1141132519 /nfs/dbraw/zinc/13/25/19/1141132519.db2.gz OSJDSZJZBROCNM-UHFFFAOYSA-N -1 0 341.498 3.638 20 0 EHADRM COc1cc(C(=O)N(Cc2ccccc2F)C(C)C)cc(OC)c1O ZINC000273977582 1141456243 /nfs/dbraw/zinc/45/62/43/1141456243.db2.gz TUOIYLOTNMDDNV-UHFFFAOYSA-N -1 0 347.386 3.599 20 0 EHADRM O=C(c1s[n-]c(=O)c1Cl)N1CCCC[C@H]1Cc1ccccc1 ZINC000283158085 1141564171 /nfs/dbraw/zinc/56/41/71/1141564171.db2.gz SZLNWUSYCNXXLD-LBPRGKRZSA-N -1 0 336.844 3.740 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1cc(Cl)nc(Cl)c1 ZINC000037979834 202076039 /nfs/dbraw/zinc/07/60/39/202076039.db2.gz LUXVRDCRUNRXAA-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM Cc1cc(NC(=O)c2csc(Br)c2)sc1C(=O)[O-] ZINC000037404746 202340011 /nfs/dbraw/zinc/34/00/11/202340011.db2.gz LTJWMZJKFIYXTQ-UHFFFAOYSA-N -1 0 346.227 3.831 20 0 EHADRM COc1ccc(Cl)c(NS(=O)(=O)c2cccc(Cl)c2[O-])c1 ZINC000555529167 450602681 /nfs/dbraw/zinc/60/26/81/450602681.db2.gz CYNREBMUICQXCN-UHFFFAOYSA-N -1 0 348.207 3.508 20 0 EHADRM O=C([O-])CCCCCCNC(=O)Cc1c(Cl)cccc1Cl ZINC000037411229 527577502 /nfs/dbraw/zinc/57/75/02/527577502.db2.gz OSORTPPITFKSGB-UHFFFAOYSA-N -1 0 332.227 3.687 20 0 EHADRM O=C([O-])C[C@H]1CCCN(Cc2ccc(Br)cc2F)CC1 ZINC000299746443 564150617 /nfs/dbraw/zinc/15/06/17/564150617.db2.gz XKGGZKOIBVMMGW-NSHDSACASA-N -1 0 344.224 3.665 20 0 EHADRM Cc1ccc(C)c(CSc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000737322118 598967253 /nfs/dbraw/zinc/96/72/53/598967253.db2.gz IERHPTHLJULLQV-UHFFFAOYSA-N -1 0 348.435 3.719 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)Nc2ccccc2SC2CCCC2)C1 ZINC000263476514 596907109 /nfs/dbraw/zinc/90/71/09/596907109.db2.gz JLBWKGIVXPQZNP-GFCCVEGCSA-N -1 0 334.441 3.660 20 0 EHADRM C[C@]1(c2ccccc2)CCN(C(=O)Nc2cccc(CC(=O)[O-])c2)C1 ZINC000818084832 596967451 /nfs/dbraw/zinc/96/74/51/596967451.db2.gz DIHCKICJBDFRHU-FQEVSTJZSA-N -1 0 338.407 3.509 20 0 EHADRM C[C@@]1(c2ccccc2)CCN(C(=O)Nc2ccccc2CC(=O)[O-])C1 ZINC000818085347 596967532 /nfs/dbraw/zinc/96/75/32/596967532.db2.gz SQXXHEISLYTYFK-HXUWFJFHSA-N -1 0 338.407 3.509 20 0 EHADRM Cc1coc(-c2ccc(C)c(NC(=O)NCCCCCC(=O)[O-])c2)n1 ZINC000417765146 597030017 /nfs/dbraw/zinc/03/00/17/597030017.db2.gz QCIGIOAZWFOVBQ-UHFFFAOYSA-N -1 0 345.399 3.725 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 ZINC000676214011 597092959 /nfs/dbraw/zinc/09/29/59/597092959.db2.gz DEVSEHAZBXGDFJ-GFCCVEGCSA-N -1 0 347.798 3.927 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)Nc2ccc(Cl)c3ncccc23)C1 ZINC000819365226 597117701 /nfs/dbraw/zinc/11/77/01/597117701.db2.gz ZPOYPOIPEWTTRW-LLVKDONJSA-N -1 0 347.802 3.607 20 0 EHADRM COc1ccc([C@@H](C)N(C)C(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000738092470 597196297 /nfs/dbraw/zinc/19/62/97/597196297.db2.gz GXMSWCKGDQQZSI-CYBMUJFWSA-N -1 0 342.395 3.547 20 0 EHADRM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818071265 597324471 /nfs/dbraw/zinc/32/44/71/597324471.db2.gz MQCZXSVRHDNEDI-LLVKDONJSA-N -1 0 348.349 3.817 20 0 EHADRM CC(C)c1ccc(CCNC(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000817986035 597331487 /nfs/dbraw/zinc/33/14/87/597331487.db2.gz PKIITROTMNGOEM-UHFFFAOYSA-N -1 0 340.423 3.801 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N1CCC[C@H]1C1CCCCC1 ZINC000819610816 597332120 /nfs/dbraw/zinc/33/21/20/597332120.db2.gz VESGMEXZYRBDEH-KRWDZBQOSA-N -1 0 330.428 3.890 20 0 EHADRM CC(C)[C@@H](CNC(=O)Nc1ccccc1CC(=O)[O-])c1ccccc1 ZINC000817853496 597336020 /nfs/dbraw/zinc/33/60/20/597336020.db2.gz QCGIRBPYBDKVHQ-QGZVFWFLSA-N -1 0 340.423 3.875 20 0 EHADRM O=C([O-])c1ccc(CN[C@H](c2ccc(F)cc2)c2ccccn2)cc1 ZINC000821545819 597366650 /nfs/dbraw/zinc/36/66/50/597366650.db2.gz RALFUZXVMBRTOP-LJQANCHMSA-N -1 0 336.366 3.798 20 0 EHADRM C[C@@H](C(=O)NC1CCC(C(=O)[O-])CC1)c1ccccc1C(F)(F)F ZINC000678303842 598143838 /nfs/dbraw/zinc/14/38/38/598143838.db2.gz VEADIMPFSBBTCK-VOMCLLRMSA-N -1 0 343.345 3.569 20 0 EHADRM O=C([O-])c1cccc(C=C(Cl)c2nc3ccccc3c(=O)[nH]2)c1 ZINC000774121336 598201383 /nfs/dbraw/zinc/20/13/83/598201383.db2.gz QNAPPTYVVOHEJS-UKTHLTGXSA-N -1 0 326.739 3.771 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000740045810 599706881 /nfs/dbraw/zinc/70/68/81/599706881.db2.gz LRJSSEVIYKLEPZ-UHFFFAOYSA-N -1 0 338.285 3.725 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N2CCC[C@H]2c2cccnc2)ccc1F ZINC000740006669 599716254 /nfs/dbraw/zinc/71/62/54/599716254.db2.gz VEWFXPQWPYDTNO-HNNXBMFYSA-N -1 0 344.346 3.680 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)NCc2ccc(F)c(F)c2)ccc1F ZINC000740008579 599718812 /nfs/dbraw/zinc/71/88/12/599718812.db2.gz RFARXALFQFAUNP-UHFFFAOYSA-N -1 0 339.273 3.516 20 0 EHADRM C[C@H]1CCN(C(=O)CCCNC(=O)[O-])c2cc(Cl)ccc2S1 ZINC000736790157 599723804 /nfs/dbraw/zinc/72/38/04/599723804.db2.gz ALDAKEXVSBJCBO-JTQLQIEISA-N -1 0 342.848 3.605 20 0 EHADRM O=C([O-])NCCCC(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000739960375 599728248 /nfs/dbraw/zinc/72/82/48/599728248.db2.gz JKHTVZKUNIEYSX-UHFFFAOYSA-N -1 0 334.416 3.522 20 0 EHADRM CC(C)C[C@@H](C)N(C(=O)CCCNC(=O)[O-])c1ccc2[nH]ccc2c1 ZINC000736404267 599729943 /nfs/dbraw/zinc/72/99/43/599729943.db2.gz YLGNTJVWYOWGOQ-CQSZACIVSA-N -1 0 345.443 3.983 20 0 EHADRM C[C@H](CN(C(=O)[C@H]1C[C@H]1c1cccc2ccccc21)C1CC1)C(=O)[O-] ZINC000262121796 599730465 /nfs/dbraw/zinc/73/04/65/599730465.db2.gz IQYDKSYPTLCOPS-VMDGZTHMSA-N -1 0 337.419 3.655 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N(C(=O)CCCN(C)C(=O)[O-])C1CC1 ZINC000736719495 599736680 /nfs/dbraw/zinc/73/66/80/599736680.db2.gz WBFVLHOIGQLYBQ-LBPRGKRZSA-N -1 0 338.835 3.782 20 0 EHADRM CC(=O)c1[nH]c(CC(=O)Nc2ccc(C(C)C)cc2)c(C(=O)[O-])c1C ZINC000736178676 599740739 /nfs/dbraw/zinc/74/07/39/599740739.db2.gz UJYFYGJGIQBMOE-UHFFFAOYSA-N -1 0 342.395 3.529 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC000033463614 599742045 /nfs/dbraw/zinc/74/20/45/599742045.db2.gz HZPZGZOHDSCWOS-GUYCJALGSA-N -1 0 327.380 3.708 20 0 EHADRM O=C([O-])CSCCC(=O)Nc1ccc2oc3ccccc3c2c1 ZINC000739849984 599743176 /nfs/dbraw/zinc/74/31/76/599743176.db2.gz RCIJPJSBNRJBBU-UHFFFAOYSA-N -1 0 329.377 3.732 20 0 EHADRM O=C([O-])CCCCCCNC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000238117012 599745061 /nfs/dbraw/zinc/74/50/61/599745061.db2.gz QVVACASKROYKHJ-UHFFFAOYSA-N -1 0 336.819 3.515 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC000236973584 599745497 /nfs/dbraw/zinc/74/54/97/599745497.db2.gz WXOVLEDYJWIERM-MGHWNKPDSA-N -1 0 329.440 3.597 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1ccc2[nH]ccc2c1 ZINC000236642608 599752206 /nfs/dbraw/zinc/75/22/06/599752206.db2.gz CORCJDIZDYLLOK-UHFFFAOYSA-N -1 0 338.363 3.906 20 0 EHADRM CCCc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc(OC)cc2)sc1C ZINC000345860042 599757483 /nfs/dbraw/zinc/75/74/83/599757483.db2.gz RFUBTTIMOLEWNL-MRXNPFEDSA-N -1 0 347.436 3.573 20 0 EHADRM CC(C)N(Cc1ccccc1)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000301193073 599759813 /nfs/dbraw/zinc/75/98/13/599759813.db2.gz QIJDIWCBYLHOJD-UHFFFAOYSA-N -1 0 340.423 3.548 20 0 EHADRM Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000738838041 599764349 /nfs/dbraw/zinc/76/43/49/599764349.db2.gz MAMMUUKUZQHLQO-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM Cc1ccc(C)c(OCCC(=O)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC000237652795 599766037 /nfs/dbraw/zinc/76/60/37/599766037.db2.gz GOYVFJLDIICMFY-UHFFFAOYSA-N -1 0 341.407 3.728 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2sccc2-n2cccc2)cc1 ZINC000178682182 599768875 /nfs/dbraw/zinc/76/88/75/599768875.db2.gz CHAZMAKQTWHXRH-UHFFFAOYSA-N -1 0 340.404 3.808 20 0 EHADRM Cc1cc(C)cc(OCCC(=O)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC000237841026 599769889 /nfs/dbraw/zinc/76/98/89/599769889.db2.gz QWLJNODHQUUKFM-UHFFFAOYSA-N -1 0 341.407 3.728 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)CCc2cccc(F)c2F)cc1 ZINC000238028246 599772429 /nfs/dbraw/zinc/77/24/29/599772429.db2.gz ZQKITCCCSILAKC-UHFFFAOYSA-N -1 0 333.334 3.553 20 0 EHADRM Cc1cc2ncn(CN(CCC(=O)[O-])Cc3ccccc3)c2cc1C ZINC000738487525 599778548 /nfs/dbraw/zinc/77/85/48/599778548.db2.gz YWONWEANNZJADT-UHFFFAOYSA-N -1 0 337.423 3.588 20 0 EHADRM O=C([O-])c1sccc1NC(=O)CCCc1c[nH]c2ccccc12 ZINC000739235850 599802193 /nfs/dbraw/zinc/80/21/93/599802193.db2.gz LASOFZRETXGYTI-UHFFFAOYSA-N -1 0 328.393 3.889 20 0 EHADRM CCOc1ccccc1OCCCC(=O)Nc1ccsc1C(=O)[O-] ZINC000737218910 599802686 /nfs/dbraw/zinc/80/26/86/599802686.db2.gz RGKVGVRMDZBEHQ-UHFFFAOYSA-N -1 0 349.408 3.643 20 0 EHADRM C[C@H](S[C@@H]1CCCc2ccccc21)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000736709032 599804508 /nfs/dbraw/zinc/80/45/08/599804508.db2.gz MSAGYXSWDKTATB-SUMWQHHRSA-N -1 0 347.480 3.509 20 0 EHADRM CCC[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccc1C)c1ccccn1 ZINC000736971199 599804853 /nfs/dbraw/zinc/80/48/53/599804853.db2.gz AOBVDSIFOQPKEA-OAHLLOKOSA-N -1 0 327.384 3.751 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000740227397 599806096 /nfs/dbraw/zinc/80/60/96/599806096.db2.gz FLSXSFWJUSNKPI-AWEZNQCLSA-N -1 0 328.343 3.545 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)c(O)c1 ZINC000736511779 599811265 /nfs/dbraw/zinc/81/12/65/599811265.db2.gz CXJKHMUJBCAEPW-UHFFFAOYSA-N -1 0 327.380 3.785 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OC(=O)c1csc(-c2ccoc2)n1 ZINC000738540595 599816498 /nfs/dbraw/zinc/81/64/98/599816498.db2.gz LMVIWKATWAKDCP-UHFFFAOYSA-N -1 0 329.333 3.629 20 0 EHADRM CC[C@H](NC(=O)Nc1cccc(NC(=O)[O-])c1)c1nc(C)cs1 ZINC000736914993 599818860 /nfs/dbraw/zinc/81/88/60/599818860.db2.gz YPUUMNURRHCORR-LBPRGKRZSA-N -1 0 334.401 3.814 20 0 EHADRM CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000736376977 599819001 /nfs/dbraw/zinc/81/90/01/599819001.db2.gz QUESZXLDISPKCG-MRXNPFEDSA-N -1 0 346.358 3.849 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(N(C)C(=O)[O-])cc1)c1nc(C)cs1 ZINC000736914522 599820304 /nfs/dbraw/zinc/82/03/04/599820304.db2.gz USDXEVXMPDSBPJ-ZDUSSCGKSA-N -1 0 348.428 3.839 20 0 EHADRM CC(C)N(Cc1ccco1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000736471092 599823484 /nfs/dbraw/zinc/82/34/84/599823484.db2.gz GDNNHOASAUBRPX-UHFFFAOYSA-N -1 0 330.384 3.739 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)cc1 ZINC000739758394 599825093 /nfs/dbraw/zinc/82/50/93/599825093.db2.gz ALQRYMOETYACHH-IAGOWNOFSA-N -1 0 342.370 3.521 20 0 EHADRM CC(C)(C)c1ccc(C(=O)COC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000736297125 599829376 /nfs/dbraw/zinc/82/93/76/599829376.db2.gz OJIAXVKPVQIWDB-UHFFFAOYSA-N -1 0 340.375 3.722 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)NCc1ccc2ccccc2c1 ZINC000737470025 599833770 /nfs/dbraw/zinc/83/37/70/599833770.db2.gz AQTADEGPUHMUOR-UHFFFAOYSA-N -1 0 348.402 3.880 20 0 EHADRM CN(C(=O)c1ccc(Oc2ccccc2)nc1)c1ccccc1C(=O)[O-] ZINC000737338513 599837911 /nfs/dbraw/zinc/83/79/11/599837911.db2.gz DRQDQXIPNCSXDA-UHFFFAOYSA-N -1 0 348.358 3.849 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)/C=C\c1cncc(F)c1 ZINC000739216183 599841962 /nfs/dbraw/zinc/84/19/62/599841962.db2.gz JXCUDXZWJALONV-WAYWQWQTSA-N -1 0 336.322 3.724 20 0 EHADRM CCCN(C)c1ccc(C(=O)Nc2cccc(F)c2C(=O)[O-])cc1 ZINC000737007163 599843433 /nfs/dbraw/zinc/84/34/33/599843433.db2.gz BZTFEUROTXGYFX-UHFFFAOYSA-N -1 0 330.359 3.622 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)c1csc(Br)c1 ZINC000035305705 599843735 /nfs/dbraw/zinc/84/37/35/599843735.db2.gz WWIPDNUYSOLXTM-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)CCc2ccsc2)cc1 ZINC000237346195 599847746 /nfs/dbraw/zinc/84/77/46/599847746.db2.gz SOFNQHHFARJEMH-OAHLLOKOSA-N -1 0 349.477 3.735 20 0 EHADRM CCN(Cc1cc(C(=O)[O-])co1)Cc1ccccc1Br ZINC000737101920 599849440 /nfs/dbraw/zinc/84/94/40/599849440.db2.gz NKUPOUPZHUGKIT-UHFFFAOYSA-N -1 0 338.201 3.762 20 0 EHADRM CC(C)c1ccc(C2(C(=O)NCCSCC(=O)[O-])CCCC2)cc1 ZINC000736513644 599850312 /nfs/dbraw/zinc/85/03/12/599850312.db2.gz UHDPLQGQKMOQBD-UHFFFAOYSA-N -1 0 349.496 3.556 20 0 EHADRM COc1ccc(Nc2nc(-c3cc(C(=O)[O-])co3)cs2)cc1F ZINC000738041568 599858711 /nfs/dbraw/zinc/85/87/11/599858711.db2.gz MAYPTYJFRXGJGL-UHFFFAOYSA-N -1 0 334.328 3.993 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N[C@@H](C)c3cccc(O)c3)c12 ZINC000738363891 599863188 /nfs/dbraw/zinc/86/31/88/599863188.db2.gz PEDYYACAKUSOLV-VIFPVBQESA-N -1 0 343.408 3.885 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccsc2C(=O)[O-])cc1 ZINC000043202975 599873372 /nfs/dbraw/zinc/87/33/72/599873372.db2.gz WHTKTZDEJCSVFU-SNVBAGLBSA-N -1 0 339.438 3.761 20 0 EHADRM O=C([O-])c1sccc1NS(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000208793176 599873522 /nfs/dbraw/zinc/87/35/22/599873522.db2.gz HVFCWQPRCUTUQT-VURMDHGXSA-N -1 0 343.813 3.512 20 0 EHADRM O=C([O-])c1coc(COC(=O)Cc2c(Cl)cccc2Cl)c1 ZINC000739339454 599878772 /nfs/dbraw/zinc/87/87/72/599878772.db2.gz UGFNYRROQKXKSC-UHFFFAOYSA-N -1 0 329.135 3.571 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)Nc2ccccc2F)cc1 ZINC000738201440 599881257 /nfs/dbraw/zinc/88/12/57/599881257.db2.gz QPPDJLMBGFNICN-OAHLLOKOSA-N -1 0 348.399 3.885 20 0 EHADRM CC(C)Oc1ccc(COC(=O)c2ccccc2N(C)C(=O)[O-])cc1 ZINC000736495057 599883267 /nfs/dbraw/zinc/88/32/67/599883267.db2.gz URBRUJJIQYYRLJ-UHFFFAOYSA-N -1 0 343.379 3.945 20 0 EHADRM Cc1c(Cl)cc(NC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cc1Cl ZINC000738290636 599893793 /nfs/dbraw/zinc/89/37/93/599893793.db2.gz TYRFNICABNHADY-SECBINFHSA-N -1 0 346.214 3.566 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)s2)c1 ZINC000740035810 599897136 /nfs/dbraw/zinc/89/71/36/599897136.db2.gz HSJLVYDBOXNXLR-UHFFFAOYSA-N -1 0 340.364 3.547 20 0 EHADRM C[C@H]1CC(=O)c2c1c(F)ccc2OC(=O)c1cccc(NC(=O)[O-])c1 ZINC000736751554 599897529 /nfs/dbraw/zinc/89/75/29/599897529.db2.gz WFKWAIREDCRDPM-VIFPVBQESA-N -1 0 343.310 3.825 20 0 EHADRM COc1ccc(C)cc1[C@@H](C)NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000737975945 599897990 /nfs/dbraw/zinc/89/79/90/599897990.db2.gz MJULOPQATOFVCU-GFCCVEGCSA-N -1 0 328.368 3.585 20 0 EHADRM COc1ccc([C@H](C)N(C)C(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000737946021 599901735 /nfs/dbraw/zinc/90/17/35/599901735.db2.gz GAIBPMPGOHHJRB-LBPRGKRZSA-N -1 0 328.368 3.618 20 0 EHADRM CC[C@@H](Nc1ccccc1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000736922907 599902939 /nfs/dbraw/zinc/90/29/39/599902939.db2.gz CCLCPCAEJJIDPF-QGZVFWFLSA-N -1 0 326.396 3.533 20 0 EHADRM CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000477426743 599907128 /nfs/dbraw/zinc/90/71/28/599907128.db2.gz KRXCIDXGMCJAIB-UHFFFAOYSA-N -1 0 347.436 3.525 20 0 EHADRM COc1cc(C=O)ccc1OCc1c2ccccc2sc1C(=O)[O-] ZINC000737879861 599907802 /nfs/dbraw/zinc/90/78/02/599907802.db2.gz VVJAPOQQBKNYBL-UHFFFAOYSA-N -1 0 342.372 4.000 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)cc1Cl ZINC000237623850 599909917 /nfs/dbraw/zinc/90/99/17/599909917.db2.gz BFKBGMCMIDQKEA-UHFFFAOYSA-N -1 0 333.771 3.754 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Oc2ccc(OCC3CC3)cc2)c1 ZINC000740038382 599910810 /nfs/dbraw/zinc/91/08/10/599910810.db2.gz DZBHUUPJLZKKTC-UHFFFAOYSA-N -1 0 327.336 3.785 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000237250986 599914199 /nfs/dbraw/zinc/91/41/99/599914199.db2.gz KOGLLACOQTVTRR-CYBMUJFWSA-N -1 0 327.380 3.834 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000237450906 599916604 /nfs/dbraw/zinc/91/66/04/599916604.db2.gz XVUCYPNXECIFOO-WDEREUQCSA-N -1 0 341.860 3.532 20 0 EHADRM Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000237826204 599917807 /nfs/dbraw/zinc/91/78/07/599917807.db2.gz PHYPTWMUMNZYPX-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM C[C@@H](CN(C(=O)CCSc1ccc(Cl)cc1)C1CC1)C(=O)[O-] ZINC000237432938 599922680 /nfs/dbraw/zinc/92/26/80/599922680.db2.gz KDJUUBFYLGFMMD-NSHDSACASA-N -1 0 341.860 3.534 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000238074897 599923245 /nfs/dbraw/zinc/92/32/45/599923245.db2.gz OHZCUBXWSGRHSG-UHFFFAOYSA-N -1 0 335.812 3.910 20 0 EHADRM C[C@@H](CN(C(=O)CCc1ccc(-c2ccccc2)o1)C1CC1)C(=O)[O-] ZINC000237435399 599924172 /nfs/dbraw/zinc/92/41/72/599924172.db2.gz MFKAPEDZWGLATD-AWEZNQCLSA-N -1 0 341.407 3.591 20 0 EHADRM COc1ccccc1NC(=S)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000738137772 599927393 /nfs/dbraw/zinc/92/73/93/599927393.db2.gz SERPGXXQNWPFAP-AWEZNQCLSA-N -1 0 344.436 3.588 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1ncc(C(=O)[O-])s1 ZINC000736927830 599928235 /nfs/dbraw/zinc/92/82/35/599928235.db2.gz GCQLEWBMCKNAGS-GFCCVEGCSA-N -1 0 348.424 3.761 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000740029710 599929453 /nfs/dbraw/zinc/92/94/53/599929453.db2.gz UVVSTVKURUCBJT-CMPLNLGQSA-N -1 0 330.306 3.627 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)c1ccc(C(F)F)cc1)c1ccccc1 ZINC000739662488 599931129 /nfs/dbraw/zinc/93/11/29/599931129.db2.gz LBHHHGRLHBIREZ-OAHLLOKOSA-N -1 0 333.334 3.960 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000531999230 599933542 /nfs/dbraw/zinc/93/35/42/599933542.db2.gz QYFADPNLGJJDPJ-CQSZACIVSA-N -1 0 346.452 3.911 20 0 EHADRM Cc1ccccc1SCC(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000193459555 599936897 /nfs/dbraw/zinc/93/68/97/599936897.db2.gz OYXSFJGEGGFHMU-INIZCTEOSA-N -1 0 343.448 3.809 20 0 EHADRM Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000237830899 599950204 /nfs/dbraw/zinc/95/02/04/599950204.db2.gz SKCRFQOLDZNVSF-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM Cn1cc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)c2ccccc21 ZINC000193456450 599953362 /nfs/dbraw/zinc/95/33/62/599953362.db2.gz QAPIYZYFFQMROB-QGZVFWFLSA-N -1 0 336.391 3.514 20 0 EHADRM O=C([O-])c1ccoc1COC(=O)c1cccc(OC2CCCC2)c1 ZINC000740297531 599953661 /nfs/dbraw/zinc/95/36/61/599953661.db2.gz QADQBQREVHYOBE-UHFFFAOYSA-N -1 0 330.336 3.656 20 0 EHADRM Cc1c(Br)cccc1NC(=O)c1cccc(C(=O)[O-])c1 ZINC000225483836 599979946 /nfs/dbraw/zinc/97/99/46/599979946.db2.gz YCPWITCJCMIZGY-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)Nc1cccc2[nH]ccc21)C(=O)[O-] ZINC000237564835 599987696 /nfs/dbraw/zinc/98/76/96/599987696.db2.gz KOBHPHQPDKKORS-NSHDSACASA-N -1 0 340.404 3.985 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)CCc2cccc(Cl)c2)c1 ZINC000737934849 599998984 /nfs/dbraw/zinc/99/89/84/599998984.db2.gz HKTIIWHWLSEIKO-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cc3cc(C)ccc3o2)c1 ZINC000392625858 600000119 /nfs/dbraw/zinc/00/01/19/600000119.db2.gz FFNMGBYVYHOWKY-UHFFFAOYSA-N -1 0 325.320 3.700 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)c1 ZINC000737931164 600001298 /nfs/dbraw/zinc/00/12/98/600001298.db2.gz IQUKUENXIXVBNV-LSDHHAIUSA-N -1 0 345.782 3.789 20 0 EHADRM Cc1cc(NC(=O)N2CCC[C@@H]2Cc2ccccc2)ccc1C(=O)[O-] ZINC000738436683 600016615 /nfs/dbraw/zinc/01/66/15/600016615.db2.gz CJIHVRDOTAMLPD-QGZVFWFLSA-N -1 0 338.407 3.932 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(C)c1)c1ccccc1OC ZINC000736913554 600017424 /nfs/dbraw/zinc/01/74/24/600017424.db2.gz CJNQSNATHKLACD-INIZCTEOSA-N -1 0 342.395 3.975 20 0 EHADRM COc1ccc(C(=O)[O-])c(NCC(=O)Nc2ccccc2C(C)C)c1 ZINC000737943771 600018943 /nfs/dbraw/zinc/01/89/43/600018943.db2.gz YRYZDBQHSCSRMX-UHFFFAOYSA-N -1 0 342.395 3.567 20 0 EHADRM CCN(C(=O)Nc1cccc(CSCC(=O)[O-])c1)[C@H](C)C(C)C ZINC000737058107 600019651 /nfs/dbraw/zinc/01/96/51/600019651.db2.gz LXSVUYVHFPZASA-CYBMUJFWSA-N -1 0 338.473 3.903 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)O[C@@H]2CCCc3ccccc3C2=O)c1 ZINC000740036277 600020703 /nfs/dbraw/zinc/02/07/03/600020703.db2.gz NECRCSGDCIKMQB-MRXNPFEDSA-N -1 0 339.347 3.521 20 0 EHADRM C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736718095 600022110 /nfs/dbraw/zinc/02/21/10/600022110.db2.gz QICZEUJPGBVEQI-JTQLQIEISA-N -1 0 347.346 3.846 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)CCCOc2ccccc2Cl)c1 ZINC000739888796 600024784 /nfs/dbraw/zinc/02/47/84/600024784.db2.gz HDIBWXLBWANBFN-UHFFFAOYSA-N -1 0 348.782 3.732 20 0 EHADRM Cc1cccc(C[C@H](CNC(=O)Nc2cc(C)cc(C)c2)C(=O)[O-])c1 ZINC000738707002 600025785 /nfs/dbraw/zinc/02/57/85/600025785.db2.gz AHYXLHXVHOVOTD-QGZVFWFLSA-N -1 0 340.423 3.677 20 0 EHADRM Cc1cccc(C[C@@H](CNC(=O)Nc2cc(C)cc(C)c2)C(=O)[O-])c1 ZINC000738707000 600025791 /nfs/dbraw/zinc/02/57/91/600025791.db2.gz AHYXLHXVHOVOTD-KRWDZBQOSA-N -1 0 340.423 3.677 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)CCCc2c[nH]c3ccccc23)c1 ZINC000739890253 600026750 /nfs/dbraw/zinc/02/67/50/600026750.db2.gz YBNIVLVLFIBSRT-UHFFFAOYSA-N -1 0 337.375 3.723 20 0 EHADRM CCCCOc1cccc(NC(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC000263484552 600028652 /nfs/dbraw/zinc/02/86/52/600028652.db2.gz MCGLNJZGUNHAOO-UHFFFAOYSA-N -1 0 334.416 3.630 20 0 EHADRM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263503876 600030687 /nfs/dbraw/zinc/03/06/87/600030687.db2.gz WKPJIDQSYRWBIX-OPFPJEHXSA-N -1 0 344.411 3.779 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)N[C@@H]2CCc3ccc(F)cc32)cc1 ZINC000737333575 600031994 /nfs/dbraw/zinc/03/19/94/600031994.db2.gz YHLMOBLACMMWIT-MRXNPFEDSA-N -1 0 343.358 3.749 20 0 EHADRM COc1ccccc1C/C(C)=C\C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000738125035 600035103 /nfs/dbraw/zinc/03/51/03/600035103.db2.gz XNBPJKAEABHVHS-SEYXRHQNSA-N -1 0 325.364 3.521 20 0 EHADRM COc1ccccc1C/C(C)=C/C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000237120065 600035944 /nfs/dbraw/zinc/03/59/44/600035944.db2.gz DWILBJJSFZNDKG-ZRDIBKRKSA-N -1 0 343.354 3.660 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)NCc2ccc3ccccc3c2)cc1 ZINC000238068530 600037753 /nfs/dbraw/zinc/03/77/53/600037753.db2.gz INNYZEYUBBNDMB-UHFFFAOYSA-N -1 0 333.387 3.787 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000736763333 600038721 /nfs/dbraw/zinc/03/87/21/600038721.db2.gz OCLOGKASLPKKOW-ZTFGCOKTSA-N -1 0 331.456 3.894 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)C2 ZINC000740189596 600042221 /nfs/dbraw/zinc/04/22/21/600042221.db2.gz WCDJHNPWBBAYCM-DLBZAZTESA-N -1 0 341.794 3.684 20 0 EHADRM C[C@@H](CCNC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000675962183 600042980 /nfs/dbraw/zinc/04/29/80/600042980.db2.gz TVYHDVKXMGOWDT-HNNXBMFYSA-N -1 0 325.408 3.627 20 0 EHADRM C[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)C(C)(C)c1ccccc1 ZINC000237578263 600043954 /nfs/dbraw/zinc/04/39/54/600043954.db2.gz XJSVRYGBQJMWHP-OAHLLOKOSA-N -1 0 339.435 3.800 20 0 EHADRM Cc1cc(C)c2c(c1)N(C(=O)CCc1ccc(C(=O)[O-])cc1)CCC2 ZINC000738358676 600044532 /nfs/dbraw/zinc/04/45/32/600044532.db2.gz XRVSHHBGNZANNB-UHFFFAOYSA-N -1 0 337.419 3.914 20 0 EHADRM CCCC[C@H](CC)C(=O)Nc1nc2nc(C)cc(C(=O)[O-])c2s1 ZINC000736983003 600049215 /nfs/dbraw/zinc/04/92/15/600049215.db2.gz XABGUUBMQPDBPP-JTQLQIEISA-N -1 0 335.429 3.853 20 0 EHADRM CC[C@@H](CC(=O)Nc1nc2nc(C)cc(C(=O)[O-])c2s1)C(C)C ZINC000736891837 600049231 /nfs/dbraw/zinc/04/92/31/600049231.db2.gz GGLPANHKGFAGQP-JTQLQIEISA-N -1 0 335.429 3.709 20 0 EHADRM O=C([O-])C1CCC(NC(=O)C2(c3cccc(F)c3)CCCCC2)CC1 ZINC000261970815 600049343 /nfs/dbraw/zinc/04/93/43/600049343.db2.gz BILANMVTLVKBEO-UHFFFAOYSA-N -1 0 347.430 3.787 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000507291456 600050740 /nfs/dbraw/zinc/05/07/40/600050740.db2.gz WLGHLTKFHJGMKN-VMBOVVBDSA-N -1 0 347.455 3.727 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2cc(C3CC3)nn2-c2ccccc2)c1 ZINC000740216516 600050999 /nfs/dbraw/zinc/05/09/99/600050999.db2.gz MVMNQWVYCYORER-UHFFFAOYSA-N -1 0 347.374 3.700 20 0 EHADRM CC(C)(C(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccccc1Cl ZINC000262086243 600061309 /nfs/dbraw/zinc/06/13/09/600061309.db2.gz HMNQRBOGAYKZGV-UHFFFAOYSA-N -1 0 345.826 3.675 20 0 EHADRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)ccc1F ZINC000236636738 600062576 /nfs/dbraw/zinc/06/25/76/600062576.db2.gz CFSLXUUCZHWUOM-UHFFFAOYSA-N -1 0 331.343 3.872 20 0 EHADRM CC/C(=C/C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000736834813 600062825 /nfs/dbraw/zinc/06/28/25/600062825.db2.gz JVNQQXWYSDFALK-FFWXCITRSA-N -1 0 341.382 3.951 20 0 EHADRM Cc1cccc(C[C@@H](CNC(=O)c2cccc3ccccc32)C(=O)[O-])c1 ZINC000237674644 600062938 /nfs/dbraw/zinc/06/29/38/600062938.db2.gz KNXRTMRLFBOINH-SFHVURJKSA-N -1 0 347.414 3.822 20 0 EHADRM Cc1ccccc1[C@H]1CCCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237676269 600063345 /nfs/dbraw/zinc/06/33/45/600063345.db2.gz KLONWKVCQQEHMG-LJQANCHMSA-N -1 0 337.419 3.990 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2nnc(CC3CCCCC3)s2)c1 ZINC000740217227 600069581 /nfs/dbraw/zinc/06/95/81/600069581.db2.gz UNBRAKZYVAYFDH-UHFFFAOYSA-N -1 0 345.424 3.611 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1cc3ccc(Cl)cc3[nH]1)C2 ZINC000740201017 600073730 /nfs/dbraw/zinc/07/37/30/600073730.db2.gz QUCJCBIBUPWHMV-UHFFFAOYSA-N -1 0 340.766 3.676 20 0 EHADRM CC(C)c1ccc(NC(=O)Cc2[nH]nc3ccccc32)c(C(=O)[O-])c1 ZINC000736515461 600073910 /nfs/dbraw/zinc/07/39/10/600073910.db2.gz LPZGWNPJHWDZLR-UHFFFAOYSA-N -1 0 337.379 3.566 20 0 EHADRM CCc1ccc(C(=O)CCC(=O)Nc2ccc(C)cc2C(=O)[O-])cc1 ZINC000737256632 600073989 /nfs/dbraw/zinc/07/39/89/600073989.db2.gz SDDJOODZGZTJNS-UHFFFAOYSA-N -1 0 339.391 3.857 20 0 EHADRM CCc1cc(Nc2ccc(NC(=O)[O-])cc2)nc(-c2ccccn2)n1 ZINC000737251337 600075030 /nfs/dbraw/zinc/07/50/30/600075030.db2.gz FDSKMXMBPSWIDL-UHFFFAOYSA-N -1 0 335.367 3.935 20 0 EHADRM Cc1nc(-c2ccccn2)nc(NCCc2ccc(C(=O)[O-])cc2)c1C ZINC000738837451 600075814 /nfs/dbraw/zinc/07/58/14/600075814.db2.gz BOORBYYVQKOFFY-UHFFFAOYSA-N -1 0 348.406 3.508 20 0 EHADRM Cc1ccc2c(CNc3ccc(CCC(=O)[O-])cc3)cc(=O)oc2c1 ZINC000738293717 600075899 /nfs/dbraw/zinc/07/58/99/600075899.db2.gz UFJIMQPUQNAIQU-UHFFFAOYSA-N -1 0 337.375 3.731 20 0 EHADRM NC(=NOCc1ccc(F)cc1C(=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000739149855 600080649 /nfs/dbraw/zinc/08/06/49/600080649.db2.gz WRAPKQFBBBUGHT-UHFFFAOYSA-N -1 0 346.402 3.739 20 0 EHADRM COc1cc(COC(=O)c2ccc(C(=O)[O-])s2)ccc1SC ZINC000737885592 600087502 /nfs/dbraw/zinc/08/75/02/600087502.db2.gz AVEVTUKGMPPFDJ-UHFFFAOYSA-N -1 0 338.406 3.534 20 0 EHADRM CC[C@@H]1c2ccsc2CCN1CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000736948923 600105515 /nfs/dbraw/zinc/10/55/15/600105515.db2.gz ILSXMUZRZNLBIU-CYBMUJFWSA-N -1 0 346.452 3.583 20 0 EHADRM COc1ccccc1C(C)=CC(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000738120195 600112032 /nfs/dbraw/zinc/11/20/32/600112032.db2.gz KPTCFADUABDDKV-QXMHVHEDSA-N -1 0 327.336 3.794 20 0 EHADRM CCCc1nc(C)c(C(=O)OCc2ccc(F)cc2C(=O)[O-])s1 ZINC000737051621 600114645 /nfs/dbraw/zinc/11/46/45/600114645.db2.gz WPTMXGIIPLKXET-UHFFFAOYSA-N -1 0 337.372 3.598 20 0 EHADRM COc1ccccc1[C@H](C)Cc1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000738121008 600114713 /nfs/dbraw/zinc/11/47/13/600114713.db2.gz OPUOZEXPIVUJTR-GFCCVEGCSA-N -1 0 338.363 3.790 20 0 EHADRM C[C@H]1c2ccccc2CCN1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000736840273 600115773 /nfs/dbraw/zinc/11/57/73/600115773.db2.gz LHEJSKXTUIHAMP-AWEZNQCLSA-N -1 0 338.407 3.855 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NCCSC(C)(C)C)C(=O)[O-] ZINC000262140855 600121902 /nfs/dbraw/zinc/12/19/02/600121902.db2.gz NIAPWLAIJGLGBY-NSHDSACASA-N -1 0 341.498 3.513 20 0 EHADRM CCN(C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F)C(C)C ZINC000737060275 600122066 /nfs/dbraw/zinc/12/20/66/600122066.db2.gz PJVUFZZOUNYXHU-UHFFFAOYSA-N -1 0 348.321 3.588 20 0 EHADRM CCCN(C(=O)Nc1cccc(CSCCC(=O)[O-])c1)C1CC1 ZINC000737010109 600124131 /nfs/dbraw/zinc/12/41/31/600124131.db2.gz XRWZKNSDKUFIHC-UHFFFAOYSA-N -1 0 336.457 3.801 20 0 EHADRM CC[C@H]1CCCN1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000736939957 600124142 /nfs/dbraw/zinc/12/41/42/600124142.db2.gz PCIMDTJVFJSTAA-HNNXBMFYSA-N -1 0 336.457 3.801 20 0 EHADRM Cc1cc(NC(=O)Cc2ccc(Cl)cc2Cl)c(C(=O)[O-])[nH]1 ZINC000163410655 600124880 /nfs/dbraw/zinc/12/48/80/600124880.db2.gz ODAXIKLFQORPNX-UHFFFAOYSA-N -1 0 327.167 3.509 20 0 EHADRM CCCOc1cccc(C(=O)N[C@@](CC)(C(=O)[O-])c2ccccc2)c1 ZINC000485365434 600134310 /nfs/dbraw/zinc/13/43/10/600134310.db2.gz CFPIUUWJVRHFIL-HXUWFJFHSA-N -1 0 341.407 3.595 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCc2cc(F)ccc2F)c(F)cc1F ZINC000739251619 600142105 /nfs/dbraw/zinc/14/21/05/600142105.db2.gz HMZVMFSRTGGEIW-UHFFFAOYSA-N -1 0 341.260 3.513 20 0 EHADRM C[C@H](NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-])c1ccccc1 ZINC000237634086 600147591 /nfs/dbraw/zinc/14/75/91/600147591.db2.gz YRLMAWKYLMDDGH-STQMWFEESA-N -1 0 329.421 3.743 20 0 EHADRM C[C@H](NC(=S)Nc1ccc(CCC(=O)[O-])cc1)c1cccs1 ZINC000736661204 600148947 /nfs/dbraw/zinc/14/89/47/600148947.db2.gz SASBATAZJTWDPB-NSHDSACASA-N -1 0 334.466 3.813 20 0 EHADRM C[C@@H](NC(=O)C(C)(C)NC(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000736633194 600151222 /nfs/dbraw/zinc/15/12/22/600151222.db2.gz OFOOBNRBTFCSPB-CYBMUJFWSA-N -1 0 326.396 3.577 20 0 EHADRM Cc1ccc([C@H](CNC(=O)C[C@@H](C)c2ccccc2F)C(=O)[O-])cc1 ZINC000486390485 600156388 /nfs/dbraw/zinc/15/63/88/600156388.db2.gz UPWZIVJJNWIXAL-PBHICJAKSA-N -1 0 343.398 3.612 20 0 EHADRM C/C(=C/C(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1)c1ccc(F)cc1 ZINC000736120075 600160430 /nfs/dbraw/zinc/16/04/30/600160430.db2.gz DZDMSWJWUCQJGB-DEQJRXDXSA-N -1 0 341.382 3.522 20 0 EHADRM CC(C)(NC(=O)[O-])C(=O)NCc1ccccc1-c1ccc(Cl)cc1 ZINC000736330909 600160536 /nfs/dbraw/zinc/16/05/36/600160536.db2.gz CHMMWKRWSNUXTR-UHFFFAOYSA-N -1 0 346.814 3.669 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)c2ccc(C(C)C)cc2)C(=O)[O-])cc1 ZINC000539954304 600163106 /nfs/dbraw/zinc/16/31/06/600163106.db2.gz DOPRXCFUXTVJRE-GOSISDBHSA-N -1 0 325.408 3.717 20 0 EHADRM Cc1ccccc1-c1nc(C(=O)OCc2cc(C(=O)[O-])co2)cs1 ZINC000738756795 600165420 /nfs/dbraw/zinc/16/54/20/600165420.db2.gz TYTMSPKVMDETKD-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM CN(C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)C(C)(C)C(=O)[O-] ZINC000737314176 600166270 /nfs/dbraw/zinc/16/62/70/600166270.db2.gz OXLKMQNZHPFJHZ-PKNBQFBNSA-N -1 0 347.411 3.889 20 0 EHADRM CN(C(=O)CC(c1ccccc1)c1ccccc1)C(C)(C)C(=O)[O-] ZINC000262485059 600166304 /nfs/dbraw/zinc/16/63/04/600166304.db2.gz VFDHIWCSJIRTSI-UHFFFAOYSA-N -1 0 325.408 3.530 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)Nc2nc(C(C)C)cs2)C(=O)[O-])cc1 ZINC000738558623 600173252 /nfs/dbraw/zinc/17/32/52/600173252.db2.gz FECGVTSTTLSITN-CYBMUJFWSA-N -1 0 347.440 3.565 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)OCc1cc(C(=O)[O-])oc1C ZINC000738125511 600175671 /nfs/dbraw/zinc/17/56/71/600175671.db2.gz FODRIIOXLSDPTB-GFCCVEGCSA-N -1 0 346.379 3.607 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)Nc2cc(Cl)ccc2C)C(=O)[O-])cc1 ZINC000738557970 600176429 /nfs/dbraw/zinc/17/64/29/600176429.db2.gz AGDDIMGTWBYNLC-OAHLLOKOSA-N -1 0 346.814 3.947 20 0 EHADRM CCCCC[C@@H](NC(=O)NC1CCC(C(=O)[O-])CC1)C(C)(C)C ZINC000736985658 600186500 /nfs/dbraw/zinc/18/65/00/600186500.db2.gz YITUCLMTBLZRAS-YMAMQOFZSA-N -1 0 326.481 3.924 20 0 EHADRM C[C@H](SCc1noc(CCC(=O)[O-])n1)c1ccccc1Cl ZINC000736710084 600187327 /nfs/dbraw/zinc/18/73/27/600187327.db2.gz YZGAFRPHJVPKRJ-VIFPVBQESA-N -1 0 326.805 3.735 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000675950192 600192033 /nfs/dbraw/zinc/19/20/33/600192033.db2.gz SFVMFEHKQQSMAP-GXTWGEPZSA-N -1 0 349.477 3.809 20 0 EHADRM CCCCc1nc(COC(=O)c2cccc(NC(=O)[O-])c2)cs1 ZINC000737003724 600192429 /nfs/dbraw/zinc/19/24/29/600192429.db2.gz IRYFCUSYWBYVIK-UHFFFAOYSA-N -1 0 334.397 3.933 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000347352743 600193292 /nfs/dbraw/zinc/19/32/92/600193292.db2.gz ULUHOKZOPCDGEK-CYBMUJFWSA-N -1 0 345.420 3.517 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000479540771 600199526 /nfs/dbraw/zinc/19/95/26/600199526.db2.gz KLSAIYKUWUGYCX-LLVKDONJSA-N -1 0 333.384 3.891 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C[C@@H]2CCCc3ccccc32)c(F)c1 ZINC000479540025 600200397 /nfs/dbraw/zinc/20/03/97/600200397.db2.gz ISRBLAZGVYAXLZ-ZDUSSCGKSA-N -1 0 327.355 3.973 20 0 EHADRM O=C([O-])c1ccc(Cl)cc1OC(=O)C[C@@H]1OCCc2ccccc21 ZINC000739223929 600202696 /nfs/dbraw/zinc/20/26/96/600202696.db2.gz CDEDHTSEQVXCIU-HNNXBMFYSA-N -1 0 346.766 3.648 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000740066315 600208407 /nfs/dbraw/zinc/20/84/07/600208407.db2.gz RBPXODMTHPMEFN-DTWKUNHWSA-N -1 0 335.281 3.544 20 0 EHADRM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1cccc(CSCc2ccccc2)c1 ZINC000739551279 600209451 /nfs/dbraw/zinc/20/94/51/600209451.db2.gz CJWPRIXCGMGGJJ-SJORKVTESA-N -1 0 341.432 3.779 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N2CCCC[C@@H]2c2ccco2)cc1 ZINC000740122410 600211143 /nfs/dbraw/zinc/21/11/43/600211143.db2.gz CDMBKQANYSRVQM-MRXNPFEDSA-N -1 0 327.380 3.664 20 0 EHADRM Cc1oc(CN(C)C(=O)C[C@@H](C)c2ccccc2C)cc1C(=O)[O-] ZINC000262465080 600211468 /nfs/dbraw/zinc/21/14/68/600211468.db2.gz IWORRTICGWKCFY-CYBMUJFWSA-N -1 0 329.396 3.747 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc3ccccc3o2)c(OC(F)F)c1 ZINC000740150593 600211618 /nfs/dbraw/zinc/21/16/18/600211618.db2.gz XGHZIOZYWNIVRA-UHFFFAOYSA-N -1 0 347.273 3.985 20 0 EHADRM CC(C)C[C@H](C)CC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736404202 600213038 /nfs/dbraw/zinc/21/30/38/600213038.db2.gz VANNYQXJXKWSPT-JTQLQIEISA-N -1 0 329.343 3.997 20 0 EHADRM C[C@@H](CC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1F ZINC000192935228 600214908 /nfs/dbraw/zinc/21/49/08/600214908.db2.gz MTKFUFPQERQDBL-SWLSCSKDSA-N -1 0 327.355 3.534 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2cc(Cl)ccc2Cl)c2ccccc21 ZINC000177481202 600215288 /nfs/dbraw/zinc/21/52/88/600215288.db2.gz SLQRPUUQYXIOMW-LBPRGKRZSA-N -1 0 336.174 3.822 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2cc(Cl)sc2Cl)c2ccccc21 ZINC000194954813 600223364 /nfs/dbraw/zinc/22/33/64/600223364.db2.gz CWUXCVVKPCJIMH-SECBINFHSA-N -1 0 342.203 3.884 20 0 EHADRM CCOc1ccccc1NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000325127016 600227098 /nfs/dbraw/zinc/22/70/98/600227098.db2.gz FCGDYIMZRXPZDR-UHFFFAOYSA-N -1 0 336.294 3.706 20 0 EHADRM Cc1cc(C)cc(NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)c1 ZINC000738363704 600232726 /nfs/dbraw/zinc/23/27/26/600232726.db2.gz IXEZLOXLJYMJIK-UHFFFAOYSA-N -1 0 328.368 3.801 20 0 EHADRM CC(C)C(C)(C)NC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000736349767 600239879 /nfs/dbraw/zinc/23/98/79/600239879.db2.gz OKVWRZHFXLIBCV-UHFFFAOYSA-N -1 0 333.432 3.541 20 0 EHADRM O=C([O-])c1cc(NC(=O)NC2(c3nccs3)CCCC2)ccc1F ZINC000739472781 600241640 /nfs/dbraw/zinc/24/16/40/600241640.db2.gz QEGITTVSCIAACU-UHFFFAOYSA-N -1 0 349.387 3.571 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1cc2ccc(F)cc2s1 ZINC000738088465 600249540 /nfs/dbraw/zinc/24/95/40/600249540.db2.gz JMTDEWISAXWKOI-UHFFFAOYSA-N -1 0 346.335 3.966 20 0 EHADRM Cc1cc(F)cc2[nH]c(C(=O)N[C@H](CC(=O)[O-])c3cccs3)cc21 ZINC000237665112 600254412 /nfs/dbraw/zinc/25/44/12/600254412.db2.gz SYVDBXFEPCOGOE-CYBMUJFWSA-N -1 0 346.383 3.623 20 0 EHADRM Cc1cc(F)cc2[nH]c(C(=O)N(C)Cc3ccc(C(=O)[O-])cc3)cc21 ZINC000237065737 600254955 /nfs/dbraw/zinc/25/49/55/600254955.db2.gz WFNSOSLECAYYPG-UHFFFAOYSA-N -1 0 340.354 3.586 20 0 EHADRM CC(C)(C)/C=C\C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000736250999 600257897 /nfs/dbraw/zinc/25/78/97/600257897.db2.gz PDAMJFIAXQSNTC-CPFIRTDXSA-N -1 0 339.435 3.802 20 0 EHADRM CCO[C@@H](C)c1noc(COc2c(C(=O)[O-])ccc3ccccc32)n1 ZINC000737159830 600260066 /nfs/dbraw/zinc/26/00/66/600260066.db2.gz YZEQAVVGNUJSAG-NSHDSACASA-N -1 0 342.351 3.598 20 0 EHADRM Cc1c(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)oc2c1c(C)ccc2C ZINC000262487264 600263289 /nfs/dbraw/zinc/26/32/89/600263289.db2.gz VQYKSGDAQRTPQI-CQSZACIVSA-N -1 0 341.407 3.685 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)c1 ZINC000740229093 600267843 /nfs/dbraw/zinc/26/78/43/600267843.db2.gz WBINXGILJIALFL-CQSZACIVSA-N -1 0 342.370 3.620 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCC(Cc3ccccc3F)CC2)c1 ZINC000262848470 600276376 /nfs/dbraw/zinc/27/63/76/600276376.db2.gz WFAGMPPYHGDYLU-UHFFFAOYSA-N -1 0 341.382 3.619 20 0 EHADRM COc1ccc(OC)c(CSc2nc3ccc(C(=O)[O-])cc3o2)c1 ZINC000738048263 600276680 /nfs/dbraw/zinc/27/66/80/600276680.db2.gz MLWOJFWUCMSQPO-UHFFFAOYSA-N -1 0 345.376 3.836 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)NC2(c3ccccc3F)CC2)c1 ZINC000740041969 600276945 /nfs/dbraw/zinc/27/69/45/600276945.db2.gz CGAOMRPMMHWBCN-UHFFFAOYSA-N -1 0 329.331 3.726 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)c1ccc(-c2ccc(F)cc2C)c(F)c1 ZINC000236831557 600280784 /nfs/dbraw/zinc/28/07/84/600280784.db2.gz NDBRJNHCYWSXHH-UHFFFAOYSA-N -1 0 347.361 3.877 20 0 EHADRM O=C([O-])[C@@H](NCc1csc(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000391892877 600283896 /nfs/dbraw/zinc/28/38/96/600283896.db2.gz BBGUCPHQFGVXCP-INIZCTEOSA-N -1 0 342.395 3.865 20 0 EHADRM CN(Cc1cccc(F)c1)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000391046277 600284624 /nfs/dbraw/zinc/28/46/24/600284624.db2.gz VBULVUPMNRSMEI-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM COc1ccc(Cl)cc1C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000738015808 600284795 /nfs/dbraw/zinc/28/47/95/600284795.db2.gz IKGYVQBGODOXIM-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM CCc1ccc(CNC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)s1 ZINC000318771010 600287596 /nfs/dbraw/zinc/28/75/96/600287596.db2.gz MWNIIGCRWWPALB-UHFFFAOYSA-N -1 0 338.816 3.984 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000737258221 600289560 /nfs/dbraw/zinc/28/95/60/600289560.db2.gz ZEFQLLADMYGNHQ-CYBMUJFWSA-N -1 0 326.396 3.759 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N2CCC[C@H]2c2cccnc2)c1 ZINC000740073987 600290297 /nfs/dbraw/zinc/29/02/97/600290297.db2.gz CCGCQBADBMVEQA-HNNXBMFYSA-N -1 0 345.786 3.802 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1cccc(F)c1 ZINC000736547419 600290618 /nfs/dbraw/zinc/29/06/18/600290618.db2.gz BFZROFIHDXGOFM-GFCCVEGCSA-N -1 0 330.359 3.726 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccc(CNC(=O)[O-])cc2)o1 ZINC000736762468 600290639 /nfs/dbraw/zinc/29/06/39/600290639.db2.gz BCOVTOJFRKIXQU-LRDDRELGSA-N -1 0 342.395 3.742 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccccc1F ZINC000736549491 600292625 /nfs/dbraw/zinc/29/26/25/600292625.db2.gz WCEAHSUXQJNPEC-GFCCVEGCSA-N -1 0 330.359 3.726 20 0 EHADRM CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1nc(/C=C/c2ccccc2)cs1 ZINC000736383382 600297987 /nfs/dbraw/zinc/29/79/87/600297987.db2.gz XVRJAOOGVDLIJC-MYSGNRETSA-N -1 0 345.424 3.544 20 0 EHADRM O=C([O-])[C@H](OC(=O)/C=C/c1cccc(F)c1)c1cccc(Cl)c1 ZINC000739214020 600321296 /nfs/dbraw/zinc/32/12/96/600321296.db2.gz BPUCDCBIZQCMES-KXPUMZMLSA-N -1 0 334.730 3.861 20 0 EHADRM COc1ccc(C)cc1CC(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737974989 600322178 /nfs/dbraw/zinc/32/21/78/600322178.db2.gz AVRCYZXJEUECTK-QGZVFWFLSA-N -1 0 348.782 3.569 20 0 EHADRM CC(=O)c1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000736192715 600325095 /nfs/dbraw/zinc/32/50/95/600325095.db2.gz NEBUVYZYFKNMKZ-OAHLLOKOSA-N -1 0 332.739 3.525 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cc2c(cccc2F)[nH]1)c1cccc(Cl)c1 ZINC000740291561 600325968 /nfs/dbraw/zinc/32/59/68/600325968.db2.gz LWCWTIIWYIBMOP-HNNXBMFYSA-N -1 0 347.729 3.943 20 0 EHADRM CCO[C@@H](C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1)c1ccccc1 ZINC000737157239 600327160 /nfs/dbraw/zinc/32/71/60/600327160.db2.gz SHHFBANKGCQEQG-JKSUJKDBSA-N -1 0 348.782 3.787 20 0 EHADRM CCO[C@H](C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1)c1ccccc1 ZINC000737157236 600327269 /nfs/dbraw/zinc/32/72/69/600327269.db2.gz SHHFBANKGCQEQG-CVEARBPZSA-N -1 0 348.782 3.787 20 0 EHADRM C[C@@H](C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1)c1ccccc1F ZINC000736227567 600329462 /nfs/dbraw/zinc/32/94/62/600329462.db2.gz VUFPWUYNWWRLDL-BMIGLBTASA-N -1 0 336.746 3.952 20 0 EHADRM CCN(CC(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1)c1ccccc1 ZINC000737079476 600329533 /nfs/dbraw/zinc/32/95/33/600329533.db2.gz OGERPLIJYOBPQC-QGZVFWFLSA-N -1 0 347.798 3.535 20 0 EHADRM COc1ccc([C@@H](C)C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000737951459 600329644 /nfs/dbraw/zinc/32/96/44/600329644.db2.gz VPIFZJYWXXDDCK-BZNIZROVSA-N -1 0 348.782 3.821 20 0 EHADRM O=C([O-])[C@@H](OC(=O)Cc1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000739346540 600329851 /nfs/dbraw/zinc/32/98/51/600329851.db2.gz QGPSVMBVOSORBY-HNNXBMFYSA-N -1 0 339.174 3.905 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)Nc2cccc3cccnc32)cc1 ZINC000739991727 600330610 /nfs/dbraw/zinc/33/06/10/600330610.db2.gz MEINUEVGTQZGFB-UHFFFAOYSA-N -1 0 336.351 3.646 20 0 EHADRM COc1cc(C)sc1C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737875070 600331573 /nfs/dbraw/zinc/33/15/73/600331573.db2.gz YHADRAISMBDCJV-LBPRGKRZSA-N -1 0 340.784 3.701 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)C1CCCC1 ZINC000736649630 600338240 /nfs/dbraw/zinc/33/82/40/600338240.db2.gz VCELZNRZGIOKLI-SECBINFHSA-N -1 0 342.342 3.686 20 0 EHADRM C[C@H](NC(=O)Nc1cccc(CSCC(=O)[O-])c1)C1CCCC1 ZINC000736648249 600338379 /nfs/dbraw/zinc/33/83/79/600338379.db2.gz CTAHSWSSTJADHJ-LBPRGKRZSA-N -1 0 336.457 3.705 20 0 EHADRM CCSc1cccc(NC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000737230419 600340077 /nfs/dbraw/zinc/34/00/77/600340077.db2.gz XLQHOJFYQMERJA-AWEZNQCLSA-N -1 0 334.441 3.517 20 0 EHADRM CC(C)N(Cc1ccco1)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736470847 600342308 /nfs/dbraw/zinc/34/23/08/600342308.db2.gz AVQYLIQBDVITNV-UHFFFAOYSA-N -1 0 345.399 3.832 20 0 EHADRM C[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736782000 600343749 /nfs/dbraw/zinc/34/37/49/600343749.db2.gz BNQOVZWLXIGVBL-CZUORRHYSA-N -1 0 333.432 3.839 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)c1ccccc1 ZINC000736649155 600345892 /nfs/dbraw/zinc/34/58/92/600345892.db2.gz PUEHURKQWUQYAP-ZDUSSCGKSA-N -1 0 327.384 3.679 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000738550797 600349612 /nfs/dbraw/zinc/34/96/12/600349612.db2.gz IPOAGHNQCBKZIZ-AWEZNQCLSA-N -1 0 341.411 3.988 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)NCc2cc3ccccc3o2)cc1 ZINC000739988327 600354763 /nfs/dbraw/zinc/35/47/63/600354763.db2.gz QZEXPXILHIFTOV-UHFFFAOYSA-N -1 0 339.351 3.522 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(Oc3cncc(Cl)c3)c12 ZINC000738364724 600364407 /nfs/dbraw/zinc/36/44/07/600364407.db2.gz VWYXORUPVIBKBM-UHFFFAOYSA-N -1 0 335.772 3.847 20 0 EHADRM Cc1oc(-c2ccccc2F)nc1C(=O)Nc1ccccc1C(=O)[O-] ZINC000738388049 600366351 /nfs/dbraw/zinc/36/63/51/600366351.db2.gz LDRJJZKHNMUBDH-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM CCc1ccc(NC(=S)NCCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000737266442 600366416 /nfs/dbraw/zinc/36/64/16/600366416.db2.gz NEQPRVNSDKWKAG-UHFFFAOYSA-N -1 0 343.452 3.868 20 0 EHADRM Cc1cc(NC(=O)[C@H]2C[C@H]2c2ccc(N(C)C)cc2)sc1C(=O)[O-] ZINC000738234094 600369807 /nfs/dbraw/zinc/36/98/07/600369807.db2.gz GZVCVRYTOCHMBM-KBPBESRZSA-N -1 0 344.436 3.563 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)NCCc2ccc(C(=O)[O-])cc2)cc1 ZINC000236951113 600373457 /nfs/dbraw/zinc/37/34/57/600373457.db2.gz PFOXXWBXENQDMF-HNNXBMFYSA-N -1 0 339.435 3.800 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC000736628473 600374500 /nfs/dbraw/zinc/37/45/00/600374500.db2.gz XRVLPZJSNNOXFD-CYBMUJFWSA-N -1 0 341.382 3.682 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000736628503 600375400 /nfs/dbraw/zinc/37/54/00/600375400.db2.gz YFUOKHYFGMDNIQ-SNVBAGLBSA-N -1 0 335.762 3.995 20 0 EHADRM C[C@H](C(=O)Nc1cccc(CSCC(=O)[O-])c1)c1ccsc1 ZINC000262413274 600378389 /nfs/dbraw/zinc/37/83/89/600378389.db2.gz OOMPGYJLTZFTLG-NSHDSACASA-N -1 0 335.450 3.808 20 0 EHADRM Cn1c(S[C@@H](C(=O)[O-])c2cccc(Cl)c2)nnc1-c1ccco1 ZINC000739013353 600378460 /nfs/dbraw/zinc/37/84/60/600378460.db2.gz FRDMSDHTDWSURE-GFCCVEGCSA-N -1 0 349.799 3.647 20 0 EHADRM C[C@H](CS[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1)C(=O)[O-] ZINC000736617558 600379674 /nfs/dbraw/zinc/37/96/74/600379674.db2.gz OMZSGVNXSNXOTB-BDAKNGLRSA-N -1 0 326.805 3.905 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1ccc(C)c(OC)c1)c1ccccc1 ZINC000736850589 600380044 /nfs/dbraw/zinc/38/00/44/600380044.db2.gz BHSUPANPILFUII-INIZCTEOSA-N -1 0 327.380 3.514 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)CCCOc1ccccc1)c1ccccc1 ZINC000736850983 600380055 /nfs/dbraw/zinc/38/00/55/600380055.db2.gz ZOMROAVGYRINNI-GOSISDBHSA-N -1 0 341.407 3.742 20 0 EHADRM CN(C(=O)/C=C/c1ccnc2ccccc12)c1ccccc1C(=O)[O-] ZINC000737313621 600381198 /nfs/dbraw/zinc/38/11/98/600381198.db2.gz LPGAHIOLOXELIM-ZHACJKMWSA-N -1 0 332.359 3.609 20 0 EHADRM CCc1[nH]c(C(=O)NC(C)(C)c2cccc(Cl)c2)c(C)c1C(=O)[O-] ZINC000737242657 600381478 /nfs/dbraw/zinc/38/14/78/600381478.db2.gz VJSMQFUJCZBBAS-UHFFFAOYSA-N -1 0 348.830 3.902 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000262566403 600381815 /nfs/dbraw/zinc/38/18/15/600381815.db2.gz BKEVXHNCNPYLOG-UHFFFAOYSA-N -1 0 345.420 3.681 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)C[C@@H]2CCOc3ccccc32)cc1 ZINC000737329929 600382808 /nfs/dbraw/zinc/38/28/08/600382808.db2.gz ARYZHSNNPRTJHS-ZDUSSCGKSA-N -1 0 340.379 3.696 20 0 EHADRM Cc1ccccc1C[C@H](C)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000738767652 600383416 /nfs/dbraw/zinc/38/34/16/600383416.db2.gz IOGZOOWOKIXSBX-LBPRGKRZSA-N -1 0 330.359 3.585 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)CCc1ccccc1C)c1ccccc1 ZINC000736850570 600384945 /nfs/dbraw/zinc/38/49/45/600384945.db2.gz BAIFATQHEGMCSL-GOSISDBHSA-N -1 0 325.408 3.824 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)Cc1cc2ccccc2o1)c1ccccc1 ZINC000736853025 600385162 /nfs/dbraw/zinc/38/51/62/600385162.db2.gz QQWFWGGFJVVXPB-KRWDZBQOSA-N -1 0 337.375 3.872 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@H](C)Cc1ccccc1)c1ccccc1 ZINC000736850995 600385636 /nfs/dbraw/zinc/38/56/36/600385636.db2.gz ZTAUHKJCMZUCEK-CRAIPNDOSA-N -1 0 325.408 3.762 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000736850895 600387684 /nfs/dbraw/zinc/38/76/84/600387684.db2.gz YFONIUPESKGNCE-FGTMMUONSA-N -1 0 341.382 3.826 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1nc(C)cs1 ZINC000736914908 600389724 /nfs/dbraw/zinc/38/97/24/600389724.db2.gz WTNQEGVHLORTJH-LBPRGKRZSA-N -1 0 337.376 3.562 20 0 EHADRM CCc1ccc([C@@H]2CCCN2C(=O)CCc2ccc(C(=O)[O-])cc2)o1 ZINC000262460494 600389862 /nfs/dbraw/zinc/38/98/62/600389862.db2.gz YAIGLQMBAAPVEF-KRWDZBQOSA-N -1 0 341.407 3.837 20 0 EHADRM CN(Cc1ccc(NC(=O)c2cc3cc(F)ccc3o2)cc1)C(=O)[O-] ZINC000737485630 600389918 /nfs/dbraw/zinc/38/99/18/600389918.db2.gz XWJWDTXQCCYBFM-UHFFFAOYSA-N -1 0 342.326 3.934 20 0 EHADRM Cc1ccoc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000237765647 600392544 /nfs/dbraw/zinc/39/25/44/600392544.db2.gz PRPOTWLVNVMMHI-HNNXBMFYSA-N -1 0 329.396 3.831 20 0 EHADRM CCc1nc([C@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cs1 ZINC000737277362 600393775 /nfs/dbraw/zinc/39/37/75/600393775.db2.gz TZFNZEDMZAHNDK-JTQLQIEISA-N -1 0 333.413 3.595 20 0 EHADRM C[C@H](CN(C)C(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000736569437 600396849 /nfs/dbraw/zinc/39/68/49/600396849.db2.gz QJNJNMDCBGZGTM-GFCCVEGCSA-N -1 0 330.359 3.791 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccc(OC)cc1 ZINC000736913270 600398279 /nfs/dbraw/zinc/39/82/79/600398279.db2.gz ACIUKZPUVYKVAM-OAHLLOKOSA-N -1 0 346.358 3.805 20 0 EHADRM C[C@@H](CC(=O)NC(C)(C)CCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000237387621 600399265 /nfs/dbraw/zinc/39/92/65/600399265.db2.gz NARZXRKPNOFOPL-NSHDSACASA-N -1 0 345.361 3.959 20 0 EHADRM CCN(C(=O)[C@@H](C)Cc1ccccc1F)c1ccccc1C(=O)[O-] ZINC000737051363 600400063 /nfs/dbraw/zinc/40/00/63/600400063.db2.gz RZRQFSPIEAGGEA-ZDUSSCGKSA-N -1 0 329.371 3.756 20 0 EHADRM CCOc1ccccc1[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000737212282 600400219 /nfs/dbraw/zinc/40/02/19/600400219.db2.gz FXYMSYHYNJMJRO-NSHDSACASA-N -1 0 346.358 3.805 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)c1cc(F)ccc1F ZINC000736648787 600401878 /nfs/dbraw/zinc/40/18/78/600401878.db2.gz KWQUINOHRXFAJD-QMMMGPOBSA-N -1 0 338.285 3.685 20 0 EHADRM CN(CC1CCCC1)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000737409976 600405806 /nfs/dbraw/zinc/40/58/06/600405806.db2.gz PEBULBUVDHZWFE-UHFFFAOYSA-N -1 0 342.342 3.640 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1cc2ccccn2c1 ZINC000138385345 600407026 /nfs/dbraw/zinc/40/70/26/600407026.db2.gz YTBMICOREXMYDL-UHFFFAOYSA-N -1 0 338.363 3.677 20 0 EHADRM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2ccc(C(=O)[O-])cn2)cc1 ZINC000192969413 600415540 /nfs/dbraw/zinc/41/55/40/600415540.db2.gz LMVBXNDBVSAHJM-KSSFIOAISA-N -1 0 338.407 3.702 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000236836179 600415860 /nfs/dbraw/zinc/41/58/60/600415860.db2.gz XPGWUUNFUGPWPY-DLBZAZTESA-N -1 0 325.408 3.703 20 0 EHADRM O=C([O-])[C@H](Nc1ccc2c(c1)OCCCO2)c1cccc(Cl)c1 ZINC000739513185 600418021 /nfs/dbraw/zinc/41/80/21/600418021.db2.gz RIINUTYAQXPYQV-MRXNPFEDSA-N -1 0 333.771 3.739 20 0 EHADRM O=C([O-])[C@@H](N[C@@H](c1ccco1)c1ccccc1)c1ccc(F)cc1 ZINC000739501390 600420051 /nfs/dbraw/zinc/42/00/51/600420051.db2.gz HBJOVEPVHNZGPF-MSOLQXFVSA-N -1 0 325.339 3.924 20 0 EHADRM CC(=O)Nc1cc(N[C@@H](C(=O)[O-])c2cccc(Cl)c2)ccc1F ZINC000736161399 600420574 /nfs/dbraw/zinc/42/05/74/600420574.db2.gz OXKTYPAJLFYWKZ-OAHLLOKOSA-N -1 0 336.750 3.675 20 0 EHADRM O=C([O-])[C@@H](Nc1ccc(NC(=O)c2ccco2)cc1)c1ccccc1 ZINC000738509746 600420852 /nfs/dbraw/zinc/42/08/52/600420852.db2.gz DRVOCELCWIHXJZ-KRWDZBQOSA-N -1 0 336.347 3.770 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000736930119 600421486 /nfs/dbraw/zinc/42/14/86/600421486.db2.gz WLDGREZWUKIFFW-INIZCTEOSA-N -1 0 330.405 3.790 20 0 EHADRM COc1cc(N[C@@H](C(=O)[O-])c2cccc(Cl)c2)ccc1NC(C)=O ZINC000737896925 600424919 /nfs/dbraw/zinc/42/49/19/600424919.db2.gz ZDCLLBZKNYWDLL-MRXNPFEDSA-N -1 0 348.786 3.545 20 0 EHADRM CC(=O)N(C)c1ccc(N[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000736123758 600430000 /nfs/dbraw/zinc/43/00/00/600430000.db2.gz ODETXYBTRYLLMM-INIZCTEOSA-N -1 0 332.787 3.561 20 0 EHADRM O=C([O-])c1sc(NCc2ccccc2N2CCCC2)nc1Cl ZINC000740279835 600433241 /nfs/dbraw/zinc/43/32/41/600433241.db2.gz QDTFUTQNODKUIZ-UHFFFAOYSA-N -1 0 337.832 3.707 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)c1cccc(OCC(=O)[O-])c1)C(C)C ZINC000539575654 600449639 /nfs/dbraw/zinc/44/96/39/600449639.db2.gz NGHSYTWZLRFTDZ-IBGZPJMESA-N -1 0 341.407 3.586 20 0 EHADRM Cc1ccc2c(c1)[nH]cc2C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738667223 600452897 /nfs/dbraw/zinc/45/28/97/600452897.db2.gz GSCKELDNLWNSFP-MRXNPFEDSA-N -1 0 327.311 3.598 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738120159 600454708 /nfs/dbraw/zinc/45/47/08/600454708.db2.gz JDEASJHKKJASPK-DXRVJIQQSA-N -1 0 344.338 3.607 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000737258112 600454731 /nfs/dbraw/zinc/45/47/31/600454731.db2.gz XOJMTOXPRWKVJG-PXAZEXFGSA-N -1 0 330.355 3.861 20 0 EHADRM CC(C)[C@H]1CCC[C@H](NC(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000736394913 600462143 /nfs/dbraw/zinc/46/21/43/600462143.db2.gz LEPDSIDYJFMDRE-RDJZCZTQSA-N -1 0 347.459 3.833 20 0 EHADRM C[C@H]1C[C@H](CC(=O)N(C)c2nc(CC(=O)[O-])cs2)CC(C)(C)C1 ZINC000736755636 600468236 /nfs/dbraw/zinc/46/82/36/600468236.db2.gz OIFYIILYPHXPDV-NWDGAFQWSA-N -1 0 338.473 3.586 20 0 EHADRM O=C([O-])c1cc(NC(=O)NC2(c3ccc(Cl)cc3)CC2)ccc1F ZINC000739470321 600468696 /nfs/dbraw/zinc/46/86/96/600468696.db2.gz CXTDPVKUYYZERZ-UHFFFAOYSA-N -1 0 348.761 3.988 20 0 EHADRM Nc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1Cl ZINC000739203844 600469534 /nfs/dbraw/zinc/46/95/34/600469534.db2.gz SIHMCGDDECZXJC-ZDUSSCGKSA-N -1 0 340.162 3.558 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000261616976 600472116 /nfs/dbraw/zinc/47/21/16/600472116.db2.gz FNNRNUCIJQRVBK-AWEZNQCLSA-N -1 0 340.379 3.807 20 0 EHADRM Cc1cc(C(=O)[O-])c2c(=O)[nH]c(S[C@@H](C)c3ccccc3)nc2n1 ZINC000738343673 600473614 /nfs/dbraw/zinc/47/36/14/600473614.db2.gz UFAHWGGNDLTWNW-JTQLQIEISA-N -1 0 341.392 3.590 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1ccccc1OC1CCC1 ZINC000676009579 600474985 /nfs/dbraw/zinc/47/49/85/600474985.db2.gz NDLOHKPHKPSWKZ-UHFFFAOYSA-N -1 0 339.391 3.588 20 0 EHADRM Cc1c(NC(=O)N2CCc3cc(F)ccc3[C@H]2C)cccc1C(=O)[O-] ZINC000738303221 600475969 /nfs/dbraw/zinc/47/59/69/600475969.db2.gz FYWUHAPZCVVIEE-GFCCVEGCSA-N -1 0 342.370 3.984 20 0 EHADRM Cc1nn(C)c2sc(C(=O)Nc3ccc(C(=O)[O-])c(Cl)c3)cc12 ZINC000237862254 600477240 /nfs/dbraw/zinc/47/72/40/600477240.db2.gz CDGBFIDNUXBALH-UHFFFAOYSA-N -1 0 349.799 3.547 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)Nc2cccc(-c3cccs3)c2)C1 ZINC000263502619 600480132 /nfs/dbraw/zinc/48/01/32/600480132.db2.gz UGZOQDXZQWGNCT-ZDUSSCGKSA-N -1 0 330.409 3.744 20 0 EHADRM CCN(C(=O)Nc1cccc(CSCCC(=O)[O-])c1)C1CCC1 ZINC000737056988 600481935 /nfs/dbraw/zinc/48/19/35/600481935.db2.gz AGFUCWBKGDTMDJ-UHFFFAOYSA-N -1 0 336.457 3.801 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)c2cnc(C3CC3)s2)cc1 ZINC000540668607 600482734 /nfs/dbraw/zinc/48/27/34/600482734.db2.gz YSUIUKZTSOSFHQ-UHFFFAOYSA-N -1 0 346.408 3.516 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1cccc(Nc2ccccc2)c1 ZINC000502444294 600483363 /nfs/dbraw/zinc/48/33/63/600483363.db2.gz OVMUCEVRQIBMSV-UHFFFAOYSA-N -1 0 326.396 3.805 20 0 EHADRM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)NCCCCCC(=O)[O-])C1 ZINC000414604862 600489574 /nfs/dbraw/zinc/48/95/74/600489574.db2.gz BLWNUVJFQGJTMX-CVEARBPZSA-N -1 0 332.444 3.527 20 0 EHADRM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)NCCCCC(=O)[O-])cc1 ZINC000666562020 600492510 /nfs/dbraw/zinc/49/25/10/600492510.db2.gz NTXYXXOIBRBWPW-MAUKXSAKSA-N -1 0 332.444 3.733 20 0 EHADRM Cc1cccc(CCNC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000320604625 600509548 /nfs/dbraw/zinc/50/95/48/600509548.db2.gz DSEUQIAGZGLMSA-UHFFFAOYSA-N -1 0 332.787 3.711 20 0 EHADRM COc1ccc2cc([C@H](C)C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)ccc2c1 ZINC000649355907 600520027 /nfs/dbraw/zinc/52/00/27/600520027.db2.gz GEQPSFBOAQIULN-SJCJKPOMSA-N -1 0 343.423 3.567 20 0 EHADRM O=C([O-])c1cccn2cc(CSc3ccnc4ccccc43)nc12 ZINC000740242953 600520105 /nfs/dbraw/zinc/52/01/05/600520105.db2.gz XCFKCJWCYRDFNK-UHFFFAOYSA-N -1 0 335.388 3.873 20 0 EHADRM CCN(C(=O)c1cc(-c2ccccc2)no1)c1ccccc1C(=O)[O-] ZINC000737057642 600523628 /nfs/dbraw/zinc/52/36/28/600523628.db2.gz IPITTYYJXJGHPA-UHFFFAOYSA-N -1 0 336.347 3.707 20 0 EHADRM CCN(C(=O)c1nc(Cl)ccc1Cl)c1ccccc1C(=O)[O-] ZINC000737062565 600524046 /nfs/dbraw/zinc/52/40/46/600524046.db2.gz RXURNSYKISGALN-UHFFFAOYSA-N -1 0 339.178 3.753 20 0 EHADRM CCc1ocnc1C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC000737290394 600524179 /nfs/dbraw/zinc/52/41/79/600524179.db2.gz OFFRQNSRGPIVES-UHFFFAOYSA-N -1 0 334.397 3.518 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)CCc1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000675985694 600530661 /nfs/dbraw/zinc/53/06/61/600530661.db2.gz JAWJWBWNZOADKB-SFHVURJKSA-N -1 0 347.455 3.556 20 0 EHADRM CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000236713996 600532137 /nfs/dbraw/zinc/53/21/37/600532137.db2.gz HEIWXDGJAHSKOH-UHFFFAOYSA-N -1 0 333.771 3.834 20 0 EHADRM Cc1sc(NC(=O)CO[C@H]2CCC[C@H](C)C2)c(C(=O)[O-])c1C ZINC000738997276 600532633 /nfs/dbraw/zinc/53/26/33/600532633.db2.gz MQJCIRKDQMOTNW-CABZTGNLSA-N -1 0 325.430 3.597 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)CO[C@H]1CCC[C@@H](C)C1 ZINC000531748755 600534336 /nfs/dbraw/zinc/53/43/36/600534336.db2.gz AQFSPMHHEKFJRA-HIFRSBDPSA-N -1 0 349.427 3.706 20 0 EHADRM CC(C)[C@@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC000324693496 600540141 /nfs/dbraw/zinc/54/01/41/600540141.db2.gz RIEYZLVIXXADSZ-LLVKDONJSA-N -1 0 340.370 3.953 20 0 EHADRM Cc1c(Cl)cc(NC(=O)NCc2ccc(C(=O)[O-])o2)cc1Cl ZINC000738287816 600543167 /nfs/dbraw/zinc/54/31/67/600543167.db2.gz GAOZXTSGWCBFLY-UHFFFAOYSA-N -1 0 343.166 3.915 20 0 EHADRM C[C@H](NC(=O)NCc1ccc(C(=O)[O-])o1)c1cccc2ccccc21 ZINC000736646539 600544063 /nfs/dbraw/zinc/54/40/63/600544063.db2.gz LRYLMKMWRDDPMR-LBPRGKRZSA-N -1 0 338.363 3.691 20 0 EHADRM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccsc1C(=O)[O-] ZINC000736703104 600551758 /nfs/dbraw/zinc/55/17/58/600551758.db2.gz MMEVRBVWDBTRHX-SSDOTTSWSA-N -1 0 343.763 3.645 20 0 EHADRM Cc1sc(NC(=O)C[C@H]2OCCc3ccccc32)c(C(=O)[O-])c1C ZINC000738398580 600568212 /nfs/dbraw/zinc/56/82/12/600568212.db2.gz LFTHOWSVSJMCLZ-CQSZACIVSA-N -1 0 345.420 3.706 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)NCc1ccc(-c2ccccc2)o1 ZINC000740046330 600573144 /nfs/dbraw/zinc/57/31/44/600573144.db2.gz SJNUUQYPDHUTCE-UHFFFAOYSA-N -1 0 336.347 3.967 20 0 EHADRM Cc1nc(-c2ccccc2)sc1C(=O)O[C@H](CC(C)C)C(=O)[O-] ZINC000738832634 600574402 /nfs/dbraw/zinc/57/44/02/600574402.db2.gz SBDQHCNMUKHEPI-CYBMUJFWSA-N -1 0 333.409 3.775 20 0 EHADRM Cc1cc(COc2cccc(NC(=O)c3ccco3)c2)oc1C(=O)[O-] ZINC000738394116 600577772 /nfs/dbraw/zinc/57/77/72/600577772.db2.gz DGOUQHMGWVVNCN-UHFFFAOYSA-N -1 0 341.319 3.711 20 0 EHADRM C[C@H](CCC1CCCCC1)NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC000736562143 600579406 /nfs/dbraw/zinc/57/94/06/600579406.db2.gz LFZSAEFRXVEBMK-CQSZACIVSA-N -1 0 333.428 3.629 20 0 EHADRM Cc1c(Cl)cccc1OCC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000532615119 600587044 /nfs/dbraw/zinc/58/70/44/600587044.db2.gz UTFYAPQSDQBJLM-UHFFFAOYSA-N -1 0 347.798 3.683 20 0 EHADRM CC[C@@](NC(=O)c1cc2occc2s1)(C(=O)[O-])c1ccccc1 ZINC000736917741 600587551 /nfs/dbraw/zinc/58/75/51/600587551.db2.gz YZVHVCORHKUESV-KRWDZBQOSA-N -1 0 329.377 3.614 20 0 EHADRM CN(C(=O)CCSc1ccccc1F)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737319469 600590664 /nfs/dbraw/zinc/59/06/64/600590664.db2.gz JTISDHKYSKOXCT-QGZVFWFLSA-N -1 0 347.411 3.592 20 0 EHADRM CN(C(=O)c1cc(F)c(F)cc1Cl)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737334081 600590715 /nfs/dbraw/zinc/59/07/15/600590715.db2.gz QYNNISSGGWBKAP-CQSZACIVSA-N -1 0 339.725 3.516 20 0 EHADRM CN(C(=O)CCc1ccc(Cl)s1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737319600 600591646 /nfs/dbraw/zinc/59/16/46/600591646.db2.gz MJGBCTZAVZEAJQ-OAHLLOKOSA-N -1 0 337.828 3.618 20 0 EHADRM O=C([O-])Nc1cccc(N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)c1 ZINC000740040022 600595031 /nfs/dbraw/zinc/59/50/31/600595031.db2.gz CVFGAHPHCPSBJL-OAHLLOKOSA-N -1 0 345.786 3.647 20 0 EHADRM Cc1cc(C(=O)N(C)C[C@H](C)C(=O)[O-])c(C)n1-c1ccc(Cl)cc1 ZINC000237409020 600595358 /nfs/dbraw/zinc/59/53/58/600595358.db2.gz GJCNLOMVGRUNBJ-NSHDSACASA-N -1 0 348.830 3.540 20 0 EHADRM CN(C(=O)Cc1csc2ccccc12)[C@H](C(=O)[O-])c1ccccc1 ZINC000737325905 600596468 /nfs/dbraw/zinc/59/64/68/600596468.db2.gz OZICIAKXMVQSBM-SFHVURJKSA-N -1 0 339.416 3.728 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)C1CCCCC1)Cc1ccc2ccccc2c1 ZINC000238152802 600603696 /nfs/dbraw/zinc/60/36/96/600603696.db2.gz BFZNXNIZATZBMD-LJQANCHMSA-N -1 0 339.435 3.780 20 0 EHADRM O=C([O-])[C@H](CNC(=O)C[C@H]1C=CCC1)Cc1ccc2ccccc2c1 ZINC000262691318 600607122 /nfs/dbraw/zinc/60/71/22/600607122.db2.gz AHGCZGGWZDGHQM-KXBFYZLASA-N -1 0 337.419 3.556 20 0 EHADRM CC(C)[C@@H](C)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)[O-] ZINC000736349825 600607594 /nfs/dbraw/zinc/60/75/94/600607594.db2.gz QLFDSRHENMBYIA-LLVKDONJSA-N -1 0 346.254 3.741 20 0 EHADRM O=C([O-])c1ccc(Oc2ncnc3ccc(Br)cc32)cc1 ZINC000740168790 600610722 /nfs/dbraw/zinc/61/07/22/600610722.db2.gz WSJDPPMTGJYYNE-UHFFFAOYSA-N -1 0 345.152 3.883 20 0 EHADRM Cc1ccccc1-c1csc(=O)n1Cc1ccc(F)cc1C(=O)[O-] ZINC000738749595 600613134 /nfs/dbraw/zinc/61/31/34/600613134.db2.gz HYGHDQASQMBJKZ-UHFFFAOYSA-N -1 0 343.379 3.771 20 0 EHADRM C[C@](NC(=O)CC1CCC(c2ccccc2)CC1)(C(=O)[O-])C1CC1 ZINC000237435110 600615775 /nfs/dbraw/zinc/61/57/75/600615775.db2.gz OBIBJZSGLMCBMI-QJXPYNDKSA-N -1 0 329.440 3.720 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)Nc1nc2c(s1)CCCCC2 ZINC000740055331 600615783 /nfs/dbraw/zinc/61/57/83/600615783.db2.gz CDTLOEJVJXELOG-UHFFFAOYSA-N -1 0 331.397 3.754 20 0 EHADRM COc1ccc(Cl)cc1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000316832893 600620710 /nfs/dbraw/zinc/62/07/10/600620710.db2.gz SBXJFJXVVGNDOK-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2ccc(C(F)(F)F)nc2)c1 ZINC000178799069 600622981 /nfs/dbraw/zinc/62/29/81/600622981.db2.gz QKKKUWITFWTWMW-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)CCNC(=O)[O-])[C@@H]1CCC[C@@H](C)C1 ZINC000738759384 600623987 /nfs/dbraw/zinc/62/39/87/600623987.db2.gz WXGRLWHDHYAGFF-DDUZABMNSA-N -1 0 332.444 3.636 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)COc2ccc3c(c2)CCC3)c1 ZINC000325532941 600624409 /nfs/dbraw/zinc/62/44/09/600624409.db2.gz RUTGBEDGBDMBME-UHFFFAOYSA-N -1 0 345.782 3.544 20 0 EHADRM Cc1nn(C)c2sc(C(=O)Nc3cc(Cl)cc(C(=O)[O-])c3)cc12 ZINC000178251066 600624461 /nfs/dbraw/zinc/62/44/61/600624461.db2.gz RBHSPSFWCRKJRN-UHFFFAOYSA-N -1 0 349.799 3.547 20 0 EHADRM Cc1oc(CS[C@H]2CCCN(c3ccccc3)C2=O)cc1C(=O)[O-] ZINC000738974221 600640268 /nfs/dbraw/zinc/64/02/68/600640268.db2.gz CDSQWVZXZZYXLR-INIZCTEOSA-N -1 0 345.420 3.715 20 0 EHADRM Cc1[nH]c(C(=O)CN(C)c2ccc(C)c(Cl)c2)c(C)c1C(=O)[O-] ZINC000738608381 600642276 /nfs/dbraw/zinc/64/22/76/600642276.db2.gz LXOLMOARDGOOBO-UHFFFAOYSA-N -1 0 334.803 3.611 20 0 EHADRM CC[C@@H](C)c1ccccc1OS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000736893156 600645589 /nfs/dbraw/zinc/64/55/89/600645589.db2.gz YVAMMZLQEUETPA-CYBMUJFWSA-N -1 0 348.420 3.595 20 0 EHADRM CCN(C(=O)c1ccc2ncsc2c1)c1ccccc1C(=O)[O-] ZINC000737059046 600647128 /nfs/dbraw/zinc/64/71/28/600647128.db2.gz GJNGXVFIPVXDKV-UHFFFAOYSA-N -1 0 326.377 3.661 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N(CCc2ccccc2)C2CCCC2)C1 ZINC000498636250 600665457 /nfs/dbraw/zinc/66/54/57/600665457.db2.gz AESXDSCIPCKSRP-QZTJIDSGSA-N -1 0 343.467 3.891 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@@H]2Cc2ccccc2)C1 ZINC000498641547 600666752 /nfs/dbraw/zinc/66/67/52/600666752.db2.gz DBZNABWWBSOHKL-FCGDIQPGSA-N -1 0 343.467 3.795 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000736562987 600671626 /nfs/dbraw/zinc/67/16/26/600671626.db2.gz UPCLZSFCXRKQKX-KDOFPFPSSA-N -1 0 343.398 3.679 20 0 EHADRM Cc1cc2cc(C(=O)N(C)[C@H](C(=O)[O-])c3ccccc3)oc2cc1C ZINC000738480201 600672671 /nfs/dbraw/zinc/67/26/71/600672671.db2.gz ZCQXYLXBUPFJHX-SFHVURJKSA-N -1 0 337.375 3.948 20 0 EHADRM COC(=O)c1cc(NCc2ccc3ccccc3c2)ccc1C(=O)[O-] ZINC000737664327 600682545 /nfs/dbraw/zinc/68/25/45/600682545.db2.gz FPWCWBXWEJSBTJ-UHFFFAOYSA-N -1 0 335.359 3.937 20 0 EHADRM CC(C)C[C@@H](C(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000736401341 600688547 /nfs/dbraw/zinc/68/85/47/600688547.db2.gz HCPOXOQIZYSQSL-LJQANCHMSA-N -1 0 339.435 3.873 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)cc1 ZINC000738662452 600690296 /nfs/dbraw/zinc/69/02/96/600690296.db2.gz VHFBNASPDMWWIF-SMDDNHRTSA-N -1 0 348.761 3.855 20 0 EHADRM C[C@]1(c2nc(-c3cccc(C(=O)[O-])c3)no2)CCc2ccccc2C1 ZINC000828128047 600693581 /nfs/dbraw/zinc/69/35/81/600693581.db2.gz MGFOMQQEMSEPFS-FQEVSTJZSA-N -1 0 334.375 3.881 20 0 EHADRM O=C([O-])c1cccc(-c2noc(CCSc3ccc(F)cc3)n2)c1 ZINC000833327968 600699809 /nfs/dbraw/zinc/69/98/09/600699809.db2.gz OFDCFOFFUPLOSG-UHFFFAOYSA-N -1 0 344.367 3.909 20 0 EHADRM O=C([O-])c1cccc(-c2noc([C@@H]3Cc4cc(Cl)ccc4O3)n2)c1 ZINC000833327734 600699821 /nfs/dbraw/zinc/69/98/21/600699821.db2.gz FBNVBAXKPMJKFH-AWEZNQCLSA-N -1 0 342.738 3.764 20 0 EHADRM O=C([O-])[C@@H](OC(=O)[C@H]1CCSc2ccccc21)c1ccc(F)cc1 ZINC000833349934 600710812 /nfs/dbraw/zinc/71/08/12/600710812.db2.gz HCYJMHYAXNRRJX-HOCLYGCPSA-N -1 0 346.379 3.774 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000827427584 600721417 /nfs/dbraw/zinc/72/14/17/600721417.db2.gz LGLMFFGOKMXPCA-RYUDHWBXSA-N -1 0 334.343 3.990 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000827427352 600721634 /nfs/dbraw/zinc/72/16/34/600721634.db2.gz GORAVLAZLNQPMB-NEPJUHHUSA-N -1 0 334.343 3.990 20 0 EHADRM O=C([O-])c1ccc([C@@H]2Nc3ccc(Cl)cc3C(=O)N2CC2CC2)o1 ZINC000740122417 600728628 /nfs/dbraw/zinc/72/86/28/600728628.db2.gz CMDKWCJOYRUZNS-OAHLLOKOSA-N -1 0 346.770 3.608 20 0 EHADRM Cc1cc(COC(=O)/C=C\c2cnc(C(C)(C)C)s2)oc1C(=O)[O-] ZINC000832886189 600736041 /nfs/dbraw/zinc/73/60/41/600736041.db2.gz VOATXYRDLSCWCM-WAYWQWQTSA-N -1 0 349.408 3.797 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccc(OC2CCC2)cc1)c1ccccc1F ZINC000833351243 600736449 /nfs/dbraw/zinc/73/64/49/600736449.db2.gz JYQMIZUEJXCBLD-QGZVFWFLSA-N -1 0 344.338 3.740 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@H]1C[C@]12CCCc1ccccc12)c1ccccc1 ZINC000833170582 600737973 /nfs/dbraw/zinc/73/79/73/600737973.db2.gz QPTLWIMZJZJIJZ-OPYAIIAOSA-N -1 0 336.387 3.650 20 0 EHADRM CC(=O)Nc1cc(N[C@@H](C(=O)[O-])c2ccccc2F)ccc1Cl ZINC000825890535 600743084 /nfs/dbraw/zinc/74/30/84/600743084.db2.gz OZAAFBBETAHOCB-OAHLLOKOSA-N -1 0 336.750 3.675 20 0 EHADRM CCCCC[C@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000736983246 600746304 /nfs/dbraw/zinc/74/63/04/600746304.db2.gz CETMBMMPLQCKEM-IRXDYDNUSA-N -1 0 332.444 3.814 20 0 EHADRM Cc1ccccc1[C@H](CC(C)C)NC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000263224943 600749637 /nfs/dbraw/zinc/74/96/37/600749637.db2.gz LNFQZFWJFHSKLO-RDJZCZTQSA-N -1 0 332.444 3.588 20 0 EHADRM Cc1ccnc(-c2ccc(N[C@H](C(=O)[O-])c3ccccc3F)cc2)n1 ZINC000832983137 600750716 /nfs/dbraw/zinc/75/07/16/600750716.db2.gz KMQMMSUBDQVTGS-KRWDZBQOSA-N -1 0 337.354 3.829 20 0 EHADRM CSc1ccc(O[C@@H](C)C(=O)Oc2ccc(C)cc2C(=O)[O-])cc1 ZINC000738212228 600756112 /nfs/dbraw/zinc/75/61/12/600756112.db2.gz LTNBORHQYREOJS-LBPRGKRZSA-N -1 0 346.404 3.788 20 0 EHADRM C[C@H](NC(=O)NCCc1ccc(NC(=O)[O-])cc1)C1CCCCC1 ZINC000827664311 600773255 /nfs/dbraw/zinc/77/32/55/600773255.db2.gz FQSIYXULXDCKTE-ZDUSSCGKSA-N -1 0 333.432 3.587 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc2[nH]ccc2c1)c1cccc(Cl)c1 ZINC000776675667 600801779 /nfs/dbraw/zinc/80/17/79/600801779.db2.gz URGOEDCGJSGXRJ-MRXNPFEDSA-N -1 0 342.782 3.767 20 0 EHADRM NC(=NOCc1cc(Cl)ccc1Cl)c1cccc(C(=O)[O-])c1 ZINC000833078916 600809180 /nfs/dbraw/zinc/80/91/80/600809180.db2.gz STRXQRCEVZVUGC-UHFFFAOYSA-N -1 0 339.178 3.738 20 0 EHADRM C[C@@H]1CCCC[C@@H]1NC(=S)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000736783837 600819726 /nfs/dbraw/zinc/81/97/26/600819726.db2.gz HTINYVDJIZTMDS-IPYPFGDCSA-N -1 0 332.469 3.518 20 0 EHADRM O=C([O-])Nc1cccc(NC(=S)N[C@@H]2CCOc3ccccc32)c1 ZINC000740041865 600820043 /nfs/dbraw/zinc/82/00/43/600820043.db2.gz WQJDQAOOZBPTCC-CQSZACIVSA-N -1 0 343.408 3.587 20 0 EHADRM CCN(c1ccccc1)c1ccc(CNc2ccc(C(=O)[O-])nn2)cc1 ZINC000829740737 600820623 /nfs/dbraw/zinc/82/06/23/600820623.db2.gz REYILLDSQMFSCZ-UHFFFAOYSA-N -1 0 348.406 3.945 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000737874444 600829954 /nfs/dbraw/zinc/82/99/54/600829954.db2.gz USZXXFUVJJFGKM-JBILIXEDSA-N -1 0 344.407 3.915 20 0 EHADRM O=C([O-])[C@@H](Sc1cccc[n+]1[O-])c1ccc(Cl)cc1Cl ZINC000833169943 600833279 /nfs/dbraw/zinc/83/32/79/600833279.db2.gz MWSDUGWCPGCAKE-LBPRGKRZSA-N -1 0 330.192 3.545 20 0 EHADRM O=C([O-])[C@@H](Sc1n[nH]c(-c2ccccc2)n1)c1ccccc1F ZINC000833169574 600834059 /nfs/dbraw/zinc/83/40/59/600834059.db2.gz KDLPLTXQKWNOLG-ZDUSSCGKSA-N -1 0 329.356 3.529 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CN1C[C@@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000566361309 600834750 /nfs/dbraw/zinc/83/47/50/600834750.db2.gz IACBWLLVBZTAIH-LIRRHRJNSA-N -1 0 343.423 3.865 20 0 EHADRM Cc1ccc(C)c([C@H]2CN(Cc3ccc(C(=O)[O-])o3)[C@@H](C)CO2)c1 ZINC000579848100 600835654 /nfs/dbraw/zinc/83/56/54/600835654.db2.gz MQNQVIRDMYFHPV-KBXCAEBGSA-N -1 0 329.396 3.557 20 0 EHADRM O=C([O-])[C@H](Sc1ccc(Br)cn1)c1ccccc1F ZINC000833170230 600837555 /nfs/dbraw/zinc/83/75/55/600837555.db2.gz OMYOKFCOCZMLRI-GFCCVEGCSA-N -1 0 342.189 3.901 20 0 EHADRM O=C([O-])[C@@H](Sc1nc2cc(F)c(F)cc2[nH]1)c1ccccc1F ZINC000833169607 600837654 /nfs/dbraw/zinc/83/76/54/600837654.db2.gz KZEVBAKKGFEKRQ-ZDUSSCGKSA-N -1 0 338.310 3.898 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)C2CCCCCCC2)cc1 ZINC000737953366 600837902 /nfs/dbraw/zinc/83/79/02/600837902.db2.gz XBEGUXXRAKNSHZ-KRWDZBQOSA-N -1 0 333.428 3.688 20 0 EHADRM C=Cc1cc(OC)c(OCc2ccc(F)cc2C(=O)[O-])c(OC)c1 ZINC000825711258 600845309 /nfs/dbraw/zinc/84/53/09/600845309.db2.gz WLMOQIHWWBJSFM-UHFFFAOYSA-N -1 0 332.327 3.763 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)CCCC2CCCC2)cc1 ZINC000675948892 600850594 /nfs/dbraw/zinc/85/05/94/600850594.db2.gz WXKGVCUPSLUJGI-QGZVFWFLSA-N -1 0 333.428 3.688 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000827428410 600854515 /nfs/dbraw/zinc/85/45/15/600854515.db2.gz VSHBLFXEXHHXIK-CQSZACIVSA-N -1 0 335.419 3.688 20 0 EHADRM Cc1cc2cc(C(=O)N3[C@@H]4CCCC[C@H]4C[C@H]3C(=O)[O-])oc2cc1C ZINC000358607556 600861652 /nfs/dbraw/zinc/86/16/52/600861652.db2.gz FAVJQYGHRUZBHQ-IMJJTQAJSA-N -1 0 341.407 3.908 20 0 EHADRM CSCc1ccc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000325285490 600862776 /nfs/dbraw/zinc/86/27/76/600862776.db2.gz LHFZQNVGPPZQBG-OAHLLOKOSA-N -1 0 341.432 3.768 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cccs2)c(Br)cc1F ZINC000739459864 600868874 /nfs/dbraw/zinc/86/88/74/600868874.db2.gz RASJRRJBIJIAKH-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM C[C@H](OC(=O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1)C(=O)[O-] ZINC000827862159 600869177 /nfs/dbraw/zinc/86/91/77/600869177.db2.gz WDORVRCMUZBKJC-VIFPVBQESA-N -1 0 338.718 3.901 20 0 EHADRM CC(C)Cc1ccc([C@H](C)NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000326635287 600870807 /nfs/dbraw/zinc/87/08/07/600870807.db2.gz RXGZPCRKCWCTLX-WBAXXEDZSA-N -1 0 331.456 3.953 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2SCCc3sccc32)c(F)c1 ZINC000343105020 600877922 /nfs/dbraw/zinc/87/79/22/600877922.db2.gz UECMGBJYOJYDHZ-CYBMUJFWSA-N -1 0 337.397 3.555 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@H]2SCCc3ccccc32)cc1 ZINC000238048889 600877940 /nfs/dbraw/zinc/87/79/40/600877940.db2.gz DTBGIWGFXGKXLG-SFHVURJKSA-N -1 0 341.432 3.673 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccc(Cl)c3cccnc23)C1 ZINC000391289829 600878866 /nfs/dbraw/zinc/87/88/66/600878866.db2.gz MITHPDFFWMFGEP-WDEREUQCSA-N -1 0 332.787 3.718 20 0 EHADRM CC[C@@](NC(=O)c1cccc(F)c1Cl)(C(=O)[O-])c1ccccc1 ZINC000485365188 600880587 /nfs/dbraw/zinc/88/05/87/600880587.db2.gz JVEPAHJBYHZRML-KRWDZBQOSA-N -1 0 335.762 3.599 20 0 EHADRM CC[C@@H](C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1c(C)noc1C ZINC000736846876 600881816 /nfs/dbraw/zinc/88/18/16/600881816.db2.gz IUSVFRZEKPKGBM-OAHLLOKOSA-N -1 0 344.411 3.786 20 0 EHADRM CC(C)[C@@H](C)[S@](=O)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000826682346 600881953 /nfs/dbraw/zinc/88/19/53/600881953.db2.gz YMWQWJKXKSRLOI-RKFFSXRUSA-N -1 0 337.466 3.802 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC000362772586 600883097 /nfs/dbraw/zinc/88/30/97/600883097.db2.gz HHINMODEFPPANK-UHFFFAOYSA-N -1 0 325.364 3.504 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000245760730 600883788 /nfs/dbraw/zinc/88/37/88/600883788.db2.gz VNGNEBGVZMLWSZ-IIAWOOMASA-N -1 0 335.831 3.895 20 0 EHADRM CC(C)CN(CCc1ccc(F)cc1)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000826881399 600886127 /nfs/dbraw/zinc/88/61/27/600886127.db2.gz RNFMPTMEAUWRKA-IAGOWNOFSA-N -1 0 349.446 3.744 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000827428036 600887886 /nfs/dbraw/zinc/88/78/86/600887886.db2.gz QKWGDCUQGYHFBK-ZDUSSCGKSA-N -1 0 344.386 3.801 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)c2cccc(F)c2Cl)c2ccccc21 ZINC000322625164 600892782 /nfs/dbraw/zinc/89/27/82/600892782.db2.gz TTXADZQFYVUDDI-JTQLQIEISA-N -1 0 333.746 3.698 20 0 EHADRM Cc1sc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)nc1-c1ccccc1 ZINC000833034459 600897067 /nfs/dbraw/zinc/89/70/67/600897067.db2.gz VCFNEZWHRIOGRT-KBPBESRZSA-N -1 0 344.436 3.948 20 0 EHADRM CCn1cc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)c2ccccc21 ZINC000737298889 600909101 /nfs/dbraw/zinc/90/91/01/600909101.db2.gz GNDVTQQKEDVYBN-AWEZNQCLSA-N -1 0 348.402 3.880 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)c2c[nH]cc2-c2ccccc2)c2ccccc21 ZINC000739647021 600909933 /nfs/dbraw/zinc/90/99/33/600909933.db2.gz SGTLEMMYXMEVIB-OAHLLOKOSA-N -1 0 346.386 3.900 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000832777391 600911267 /nfs/dbraw/zinc/91/12/67/600911267.db2.gz KNCVEXFGQCPWBV-UWVGGRQHSA-N -1 0 327.833 3.891 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)CCn2ccc3ccccc32)c2ccccc21 ZINC000739641709 600911881 /nfs/dbraw/zinc/91/18/81/600911881.db2.gz LJYCUKXEWNPPKM-MRXNPFEDSA-N -1 0 348.402 3.637 20 0 EHADRM CCCN(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)[C@@H]1CCc2ccccc21 ZINC000829453217 600914094 /nfs/dbraw/zinc/91/40/94/600914094.db2.gz PRPFKFQEOUGWDV-SOLBZPMBSA-N -1 0 329.440 3.804 20 0 EHADRM COc1ccc(N(CC(C)C)C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000832383478 600915576 /nfs/dbraw/zinc/91/55/76/600915576.db2.gz IFQWVKMUWONORV-CABCVRRESA-N -1 0 333.428 3.575 20 0 EHADRM Cc1nc(-c2ccccc2)sc1C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000262457612 600917420 /nfs/dbraw/zinc/91/74/20/600917420.db2.gz HYFDRNOKCZNLJV-AWEZNQCLSA-N -1 0 346.452 3.595 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)NCc2ccc(OC3CCCC3)cc2)C1 ZINC000679393115 600918980 /nfs/dbraw/zinc/91/89/80/600918980.db2.gz GCLBFAWGOZEDCH-HOTGVXAUSA-N -1 0 345.439 3.515 20 0 EHADRM CC(C)CCOc1ccccc1CNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000498621465 600921177 /nfs/dbraw/zinc/92/11/77/600921177.db2.gz XGOCUNPSQXUFGV-JKSUJKDBSA-N -1 0 347.455 3.619 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)NCC2(c3ccc(Cl)cc3)CCC2)C1 ZINC000179995943 600923522 /nfs/dbraw/zinc/92/35/22/600923522.db2.gz NUHLYWGSNBPVHA-KBPBESRZSA-N -1 0 349.858 3.769 20 0 EHADRM Cc1csc(-c2cccc(C(=O)NC[C@H](CC(C)C)C(=O)[O-])c2)n1 ZINC000262514636 600926518 /nfs/dbraw/zinc/92/65/18/600926518.db2.gz PPOAKCIXPFHFOF-HNNXBMFYSA-N -1 0 346.452 3.595 20 0 EHADRM CC(C)C[C@@H](CNC(=O)c1ccc2c(c1)-c1ccccc1C2)C(=O)[O-] ZINC000736404404 600927904 /nfs/dbraw/zinc/92/79/04/600927904.db2.gz OZZOBJJJPQUUMC-KRWDZBQOSA-N -1 0 337.419 3.735 20 0 EHADRM Cc1nc(C2CCCC2)sc1C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC000832997262 600939413 /nfs/dbraw/zinc/93/94/13/600939413.db2.gz VDRKARLMHONPQB-UHFFFAOYSA-N -1 0 345.420 3.955 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)[C@H]2C[C@@]23CCCc2ccccc23)cc1 ZINC000833266173 600939461 /nfs/dbraw/zinc/93/94/61/600939461.db2.gz LJHBTGCXCROIOB-WIYYLYMNSA-N -1 0 336.387 3.513 20 0 EHADRM CC[C@](C)(NC(=O)Nc1cccc(NC(=O)[O-])c1)c1nc(C)cs1 ZINC000736860999 600941202 /nfs/dbraw/zinc/94/12/02/600941202.db2.gz GVZSIWLIYBFYGL-INIZCTEOSA-N -1 0 348.428 3.988 20 0 EHADRM O=C([O-])c1cccc(COC(=O)[C@@H]2CCSc3ccccc32)c1 ZINC000833328966 600945144 /nfs/dbraw/zinc/94/51/44/600945144.db2.gz HKBQSBOMALSHDU-OAHLLOKOSA-N -1 0 328.389 3.708 20 0 EHADRM O=C([O-])c1cccc(COC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)c1 ZINC000833328938 600945161 /nfs/dbraw/zinc/94/51/61/600945161.db2.gz DRTJWZPZWLCZKW-HIFRSBDPSA-N -1 0 332.302 3.510 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000827427383 600946743 /nfs/dbraw/zinc/94/67/43/600946743.db2.gz HIIRBVOUHRFYJW-ZDUSSCGKSA-N -1 0 330.355 3.627 20 0 EHADRM CC(C)C[C@H](OC(=O)[C@@H](C)Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000826813411 600949055 /nfs/dbraw/zinc/94/90/55/600949055.db2.gz OLKNRXUQZGKBPH-MFKMUULPSA-N -1 0 330.833 3.863 20 0 EHADRM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)Oc2cccc(C(=O)[O-])c2)cc1 ZINC000832928813 600965288 /nfs/dbraw/zinc/96/52/88/600965288.db2.gz WWKKHYKXVSTNQG-ZWKOTPCHSA-N -1 0 340.375 3.767 20 0 EHADRM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC000832927966 600966132 /nfs/dbraw/zinc/96/61/32/600966132.db2.gz NYMXAJQEVHCZTC-XJKSGUPXSA-N -1 0 345.420 3.861 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)s1 ZINC000833318537 600967800 /nfs/dbraw/zinc/96/78/00/600967800.db2.gz JFNUDZNIOVVUHF-UGSOOPFHSA-N -1 0 327.405 3.679 20 0 EHADRM CCc1ccc([C@@H]2CCCCN2C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)o1 ZINC000263526161 600968624 /nfs/dbraw/zinc/96/86/24/600968624.db2.gz JXICLTOBKOCEKM-DZKIICNBSA-N -1 0 333.428 3.787 20 0 EHADRM COc1cccc(NC(=O)CCSCc2cccc(C(=O)[O-])c2)c1 ZINC000832563023 600968842 /nfs/dbraw/zinc/96/88/42/600968842.db2.gz SHLIJAWPZDIWIP-UHFFFAOYSA-N -1 0 345.420 3.655 20 0 EHADRM Cc1cc2c(cc1C)O[C@H](C(=O)Nc1ccc(Cl)cc1C(=O)[O-])C2 ZINC000832905997 600970745 /nfs/dbraw/zinc/97/07/45/600970745.db2.gz ORGYLOUSNOOZKU-INIZCTEOSA-N -1 0 345.782 3.597 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N3CCCC[C@H]3CC(=O)[O-])o2)cc1 ZINC000679396697 600971281 /nfs/dbraw/zinc/97/12/81/600971281.db2.gz AZQYNFIHDNBFSL-INIZCTEOSA-N -1 0 341.407 3.978 20 0 EHADRM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000249388662 600972005 /nfs/dbraw/zinc/97/20/05/600972005.db2.gz BMLSBGPZGHFTPX-DUFGSWQCSA-N -1 0 333.403 3.626 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OC(=O)[C@H]1SCCc2ccccc21 ZINC000833299913 600972042 /nfs/dbraw/zinc/97/20/42/600972042.db2.gz XHSDVMLUTJITPY-HNNXBMFYSA-N -1 0 348.807 3.974 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)c1cccc(-c2cscn2)c1 ZINC000833159607 600972721 /nfs/dbraw/zinc/97/27/21/600972721.db2.gz XVYCRHLKQMOGGK-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)NC2(C(=O)[O-])CCCCC2)c1 ZINC000236736461 600998314 /nfs/dbraw/zinc/99/83/14/600998314.db2.gz PUDQTCQYLKVCTN-UHFFFAOYSA-N -1 0 331.412 3.549 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)[C@@H]1CCSc2ccccc21)c1ccccc1 ZINC000738563016 600998950 /nfs/dbraw/zinc/99/89/50/600998950.db2.gz FSZJHYVIJVTYRL-HZPDHXFCSA-N -1 0 341.432 3.598 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)[C@@H]1CCSc2ccccc21)c1cccs1 ZINC000739626868 601000047 /nfs/dbraw/zinc/00/00/47/601000047.db2.gz LLZHYXJMFGXSJZ-CHWSQXEVSA-N -1 0 347.461 3.660 20 0 EHADRM Cn1c(C(=O)N2CCc3cc(C(=O)[O-])ccc32)ccc1-c1ccccc1 ZINC000739004755 601000053 /nfs/dbraw/zinc/00/00/53/601000053.db2.gz WCDJXLHCDQCLFB-UHFFFAOYSA-N -1 0 346.386 3.593 20 0 EHADRM CCC[C@](C)(NC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000362522860 601001440 /nfs/dbraw/zinc/00/14/40/601001440.db2.gz YJNIMBJHUSLLMS-XEZPLFJOSA-N -1 0 344.238 3.857 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC000262652430 601002491 /nfs/dbraw/zinc/00/24/91/601002491.db2.gz SCVKHLABJDNUQK-IBGZPJMESA-N -1 0 339.435 3.726 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1CCSc2ccccc21 ZINC000262333701 601002791 /nfs/dbraw/zinc/00/27/91/601002791.db2.gz FIPKHPYUOBASJB-TUUVXOQKSA-N -1 0 345.464 3.510 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)[C@H](C)c1cccc(Cl)c1 ZINC000738085793 601005387 /nfs/dbraw/zinc/00/53/87/601005387.db2.gz RTVKZOFETPMNOJ-SNVBAGLBSA-N -1 0 334.755 3.756 20 0 EHADRM C[C@@H](C(=O)N(C[C@H](C)C(=O)[O-])C1CC1)c1ccccc1C(F)(F)F ZINC000736563408 601007089 /nfs/dbraw/zinc/00/70/89/601007089.db2.gz PKKIHMHYWMLDNX-WDEREUQCSA-N -1 0 343.345 3.521 20 0 EHADRM Cc1cccc2c(CCNC(=O)Nc3cccc(C(=O)[O-])c3)c[nH]c21 ZINC000832974974 601009220 /nfs/dbraw/zinc/00/92/20/601009220.db2.gz UKAYQVZSUDGYDP-UHFFFAOYSA-N -1 0 337.379 3.539 20 0 EHADRM C/C(=C\C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c1ccccc1C(F)(F)F ZINC000736122385 601012997 /nfs/dbraw/zinc/01/29/97/601012997.db2.gz ZRNLGJXWXIBELU-HBWSCVEGSA-N -1 0 343.345 3.724 20 0 EHADRM CC[C@@H](CC(=O)N(CC(=O)[O-])c1cccc(C)n1)c1ccc(C)cc1 ZINC000736893049 601013922 /nfs/dbraw/zinc/01/39/22/601013922.db2.gz TVHXFXNTEOWVRD-INIZCTEOSA-N -1 0 340.423 3.700 20 0 EHADRM CCOc1ccc(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])cc1Cl ZINC000830084414 601021900 /nfs/dbraw/zinc/02/19/00/601021900.db2.gz CIQYLPWEHBXMNU-NSHDSACASA-N -1 0 342.823 3.607 20 0 EHADRM CSc1ccc(C(=O)N(CCC(=O)[O-])c2cccc(F)c2)cc1 ZINC000738194914 601026657 /nfs/dbraw/zinc/02/66/57/601026657.db2.gz DJEPWIRKCZRDSB-UHFFFAOYSA-N -1 0 333.384 3.669 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)N[C@H]2C[C@]2(C)c2ccccc2)cc1 ZINC000830514198 601030387 /nfs/dbraw/zinc/03/03/87/601030387.db2.gz OTKDIJPWSOSMIX-QFBILLFUSA-N -1 0 339.395 3.653 20 0 EHADRM C[C@H]1Cc2ccccc2CN1C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000828516638 601030413 /nfs/dbraw/zinc/03/04/13/601030413.db2.gz PQTNJQRRYSKFDB-ZDUSSCGKSA-N -1 0 339.395 3.780 20 0 EHADRM O=C([O-])c1cn(CC(=O)N2CCC3(C2)CCCCC3)c2ccccc12 ZINC000740253389 601031785 /nfs/dbraw/zinc/03/17/85/601031785.db2.gz RPVSMVHBEWYHIP-UHFFFAOYSA-N -1 0 340.423 3.522 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1)C(=O)[O-] ZINC000736712439 601034058 /nfs/dbraw/zinc/03/40/58/601034058.db2.gz LTWFNQHFCYHRLH-LJISPDSOSA-N -1 0 347.480 3.950 20 0 EHADRM CN(CCc1cccs1)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000830800587 601036514 /nfs/dbraw/zinc/03/65/14/601036514.db2.gz LJKKMHTWXHQMLS-UHFFFAOYSA-N -1 0 337.376 3.684 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)C1(C)C ZINC000736343970 601039128 /nfs/dbraw/zinc/03/91/28/601039128.db2.gz MJBKXOKDLGCPKA-DGCLKSJQSA-N -1 0 334.441 3.575 20 0 EHADRM Cc1csc([C@H](NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)C2CC2)n1 ZINC000832988781 601041012 /nfs/dbraw/zinc/04/10/12/601041012.db2.gz HVFMCHASSJORMO-CQSZACIVSA-N -1 0 345.424 3.731 20 0 EHADRM CCO[C@H]1C[C@@H](NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)C12CCCC2 ZINC000829925735 601041976 /nfs/dbraw/zinc/04/19/76/601041976.db2.gz SAAZFENRWJFXJR-CVEARBPZSA-N -1 0 346.427 3.553 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1 ZINC000833282370 601053420 /nfs/dbraw/zinc/05/34/20/601053420.db2.gz VZGFEVVFUIKRIZ-SQWLQELKSA-N -1 0 331.416 3.545 20 0 EHADRM Cc1ccccc1SCC(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000832981959 601057771 /nfs/dbraw/zinc/05/77/71/601057771.db2.gz RFCAOTPIBNIRHF-INIZCTEOSA-N -1 0 334.368 3.595 20 0 EHADRM C/C(=C/C(=O)NC(C)(C)CCC(=O)[O-])c1ccccc1C(F)(F)F ZINC000236636205 601061173 /nfs/dbraw/zinc/06/11/73/601061173.db2.gz JHHMLYYINJGKOS-KHPPLWFESA-N -1 0 343.345 3.868 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000237251044 601063710 /nfs/dbraw/zinc/06/37/10/601063710.db2.gz XUQHWEMURNKOPO-CYBMUJFWSA-N -1 0 327.380 3.834 20 0 EHADRM CC(C)C[C@@H](CNC(=O)C(C)(C)c1ccc2ccccc2c1)C(=O)[O-] ZINC000736404103 601063930 /nfs/dbraw/zinc/06/39/30/601063930.db2.gz QSDHSETWPSIRIV-KRWDZBQOSA-N -1 0 341.451 3.981 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)cc1C(=O)[O-] ZINC000832941293 601065079 /nfs/dbraw/zinc/06/50/79/601065079.db2.gz IWHPCRPLWCQUDF-ZWKOTPCHSA-N -1 0 338.407 3.501 20 0 EHADRM C[C@H](CCOc1ccccc1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000237479632 601066343 /nfs/dbraw/zinc/06/63/43/601066343.db2.gz PKADPCFOYPJXLL-OAHLLOKOSA-N -1 0 341.407 3.748 20 0 EHADRM Cc1ccc(NC(=O)Cc2cccc(OC(C)C)c2)cc1C(=O)[O-] ZINC000236759075 601067900 /nfs/dbraw/zinc/06/79/00/601067900.db2.gz KKLNVFFRKQPHPC-UHFFFAOYSA-N -1 0 327.380 3.662 20 0 EHADRM CCC[C@@H](CC1CCCC1)C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000486267997 601068047 /nfs/dbraw/zinc/06/80/47/601068047.db2.gz GZPBJTYRBYYTKJ-ROUUACIJSA-N -1 0 331.456 3.968 20 0 EHADRM CC(C)CCc1nc(COC(=O)c2ccc(C(=O)[O-])s2)cs1 ZINC000826861058 601072310 /nfs/dbraw/zinc/07/23/10/601072310.db2.gz NOPJXJPTDXBPPO-UHFFFAOYSA-N -1 0 339.438 3.848 20 0 EHADRM CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000827852948 601072669 /nfs/dbraw/zinc/07/26/69/601072669.db2.gz JMKOPYMLNLWMCP-LLVKDONJSA-N -1 0 346.404 3.998 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)CCc1ccccc1 ZINC000833176636 601078847 /nfs/dbraw/zinc/07/88/47/601078847.db2.gz FBZRCVJRMYBBQT-ROUUACIJSA-N -1 0 329.440 3.501 20 0 EHADRM Cc1cc(F)cc(C(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1 ZINC000832887697 601082114 /nfs/dbraw/zinc/08/21/14/601082114.db2.gz YCZPCJQZXISYQJ-WBVHZDCISA-N -1 0 333.403 3.630 20 0 EHADRM C[C@H](C(=O)N1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-])c1cccs1 ZINC000825977364 601084216 /nfs/dbraw/zinc/08/42/16/601084216.db2.gz FEXQXNLHJFZOOZ-AEGPPILISA-N -1 0 335.469 3.734 20 0 EHADRM CCCc1c(C(=O)N[C@H](C)CCc2ccc(C)o2)[nH]c(C)c1C(=O)[O-] ZINC000737041037 601086582 /nfs/dbraw/zinc/08/65/82/601086582.db2.gz KWJDJCYHUVZSKD-LLVKDONJSA-N -1 0 346.427 3.626 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NCCCC(F)(F)F)cc1 ZINC000322046005 601086760 /nfs/dbraw/zinc/08/67/60/601086760.db2.gz KASQDVOGNAJJIN-UHFFFAOYSA-N -1 0 332.322 3.513 20 0 EHADRM Cc1cc(C(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])sc1C ZINC000832860856 601087270 /nfs/dbraw/zinc/08/72/70/601087270.db2.gz NVUJVWYZEOVLFE-GJZGRUSLSA-N -1 0 335.469 3.861 20 0 EHADRM O=C([O-])c1ccc2c(cnn2CN2CC[C@H]2c2ccc(Cl)cc2)c1 ZINC000740202214 601093448 /nfs/dbraw/zinc/09/34/48/601093448.db2.gz CAGYLAHXOQXZRK-INIZCTEOSA-N -1 0 341.798 3.792 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1cc2c(s1)CCC2 ZINC000833180376 601093625 /nfs/dbraw/zinc/09/36/25/601093625.db2.gz UFXSOUBIVRGOAN-HUUCEWRRSA-N -1 0 347.480 3.732 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1ccccc1 ZINC000325324538 601095388 /nfs/dbraw/zinc/09/53/88/601095388.db2.gz FCUHLEIJNGQDPP-ZDUSSCGKSA-N -1 0 326.396 3.932 20 0 EHADRM CC(C)C[C@H]1CCN(C(=O)c2ccccc2S[C@H](C)C(=O)[O-])C1 ZINC000236670275 601095522 /nfs/dbraw/zinc/09/55/22/601095522.db2.gz JJVRZOKTQVIBKN-ZIAGYGMSSA-N -1 0 335.469 3.760 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000417750679 601100083 /nfs/dbraw/zinc/10/00/83/601100083.db2.gz NXLQIAVSTIBYFE-UHFFFAOYSA-N -1 0 332.322 3.558 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(-c3ccccc3)ns2)s1 ZINC000740150227 601116576 /nfs/dbraw/zinc/11/65/76/601116576.db2.gz QLQIJJPAERQOQI-UHFFFAOYSA-N -1 0 330.390 3.822 20 0 EHADRM C/C(=C\C(=O)O[C@@H](C(=O)[O-])c1ccccc1F)c1ccc(F)cc1 ZINC000825723892 601122344 /nfs/dbraw/zinc/12/23/44/601122344.db2.gz CYDZNCSMRUNNBB-SXSDINLZSA-N -1 0 332.302 3.737 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000183961606 601125670 /nfs/dbraw/zinc/12/56/70/601125670.db2.gz SLWUQHYWLWECGG-RKDXNWHRSA-N -1 0 347.745 3.771 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccc2ccccc2c1 ZINC000183964464 601125810 /nfs/dbraw/zinc/12/58/10/601125810.db2.gz GTCLZPHCZHWJJO-VHSSKADRSA-N -1 0 325.408 3.908 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000827042631 601126583 /nfs/dbraw/zinc/12/65/83/601126583.db2.gz URVNMWHDCIKOTQ-HUUCEWRRSA-N -1 0 346.427 3.826 20 0 EHADRM CC[C@H](Oc1ccccc1F)C(=O)N(CC)c1ccccc1C(=O)[O-] ZINC000829021809 601129269 /nfs/dbraw/zinc/12/92/69/601129269.db2.gz YFKPDWPAYHCNNF-INIZCTEOSA-N -1 0 345.370 3.734 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H]2CCCc3[nH]ccc32)cc1Cl ZINC000833153029 601130661 /nfs/dbraw/zinc/13/06/61/601130661.db2.gz IRHFXMYASVLMTJ-AWEZNQCLSA-N -1 0 333.775 3.565 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)NC2(CC(=O)[O-])CCC2)cc1 ZINC000649540891 601132782 /nfs/dbraw/zinc/13/27/82/601132782.db2.gz JRJXAWIPXPEODK-UHFFFAOYSA-N -1 0 334.416 3.630 20 0 EHADRM Cc1c(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)cnc2ccccc12 ZINC000761421375 601134988 /nfs/dbraw/zinc/13/49/88/601134988.db2.gz QVOPNBBYPSDCTM-HNNXBMFYSA-N -1 0 340.404 3.551 20 0 EHADRM COc1cccc([C@@H](C)NC(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC000832533865 601136874 /nfs/dbraw/zinc/13/68/74/601136874.db2.gz RYNFQIXBOPDWTH-GFCCVEGCSA-N -1 0 328.368 3.585 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(F)c(F)c2F)cc1Cl ZINC000316572187 601137693 /nfs/dbraw/zinc/13/76/93/601137693.db2.gz LFOOVFGWZOEYKX-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM Cc1ccc(NC(=O)N[C@H]2CCc3c2cccc3F)cc1C(=O)[O-] ZINC000832947554 601139811 /nfs/dbraw/zinc/13/98/11/601139811.db2.gz RMXGLZUFKCVMAU-INIZCTEOSA-N -1 0 328.343 3.641 20 0 EHADRM Cc1ccc(NC(=O)N(Cc2ccccn2)C(C)C)cc1C(=O)[O-] ZINC000832945579 601143319 /nfs/dbraw/zinc/14/33/19/601143319.db2.gz WJNRMZUXXGTKAV-UHFFFAOYSA-N -1 0 327.384 3.531 20 0 EHADRM Cc1ccc(NC(=O)N[C@H](C)CCc2ccc(O)cc2)cc1C(=O)[O-] ZINC000832947093 601143705 /nfs/dbraw/zinc/14/37/05/601143705.db2.gz TVALLMLWLRDIRY-CYBMUJFWSA-N -1 0 342.395 3.542 20 0 EHADRM Cc1ccc(NC(=O)N[C@H](c2ncccc2C)C(C)C)cc1C(=O)[O-] ZINC000832945914 601144250 /nfs/dbraw/zinc/14/42/50/601144250.db2.gz AWOBAFNIVPXEOL-INIZCTEOSA-N -1 0 341.411 3.915 20 0 EHADRM COC(=O)c1cc(NC(=O)Nc2cccc(NC(=O)[O-])c2)ccc1C ZINC000831306695 601145995 /nfs/dbraw/zinc/14/59/95/601145995.db2.gz ZXQWWOAIXSVZPG-UHFFFAOYSA-N -1 0 343.339 3.516 20 0 EHADRM COC(=O)Nc1cccc(NC(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC000831210877 601146062 /nfs/dbraw/zinc/14/60/62/601146062.db2.gz WKRUJSULZQWHHQ-UHFFFAOYSA-N -1 0 343.339 3.516 20 0 EHADRM CC(C)(CC(=O)N(CC(=O)[O-])c1cccc(F)c1)c1ccccc1 ZINC000826529678 601146545 /nfs/dbraw/zinc/14/65/45/601146545.db2.gz VVYMJOQISBZIJN-UHFFFAOYSA-N -1 0 329.371 3.611 20 0 EHADRM Cc1nc(NC(=O)c2ccc(OC(C)(C)C)cc2)sc1C(=O)[O-] ZINC000833002416 601148091 /nfs/dbraw/zinc/14/80/91/601148091.db2.gz YEPHRJWRLSBHPC-UHFFFAOYSA-N -1 0 334.397 3.579 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Oc2ccc(Oc3ccccn3)cc2)C1 ZINC000833187619 601149175 /nfs/dbraw/zinc/14/91/75/601149175.db2.gz RKNATWVKWPQESI-KGLIPLIRSA-N -1 0 341.363 3.670 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Oc2ccccc2Oc2ccccn2)C1 ZINC000833187929 601152416 /nfs/dbraw/zinc/15/24/16/601152416.db2.gz SYHRLUFRHVZGMR-KGLIPLIRSA-N -1 0 341.363 3.670 20 0 EHADRM Cc1cc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)ccc1C(F)(F)F ZINC000832893535 601160154 /nfs/dbraw/zinc/16/01/54/601160154.db2.gz OULQVIPPOMPLQQ-WDEREUQCSA-N -1 0 329.318 3.843 20 0 EHADRM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000828310790 601161006 /nfs/dbraw/zinc/16/10/06/601161006.db2.gz OXTADSIDUXPWJP-APPDUMDISA-N -1 0 342.370 3.969 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(-c2ccccc2)[nH]1)c1ccccc1 ZINC000178174230 601163650 /nfs/dbraw/zinc/16/36/50/601163650.db2.gz HNRUYHLTULFADV-IFXJQAMLSA-N -1 0 348.402 3.874 20 0 EHADRM CCCc1nc(C)c(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])s1 ZINC000236935981 601164375 /nfs/dbraw/zinc/16/43/75/601164375.db2.gz DZODRLVPIALDJM-ABAIWWIYSA-N -1 0 346.452 3.596 20 0 EHADRM C/C(=C/CN1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1)C(=O)[O-] ZINC000825746352 601165558 /nfs/dbraw/zinc/16/55/58/601165558.db2.gz HCFLBCYMLJEKPL-SDUMLFDJSA-N -1 0 348.201 3.537 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1cccc(C(F)F)c1)c1ccccc1 ZINC000826044020 601166106 /nfs/dbraw/zinc/16/61/06/601166106.db2.gz AZLBLEJKSCHVTB-NHYWBVRUSA-N -1 0 333.334 3.816 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000828899909 601172692 /nfs/dbraw/zinc/17/26/92/601172692.db2.gz CITCYCFVATZOKH-KVSKMBFKSA-N -1 0 339.435 3.834 20 0 EHADRM C[C@H]1CSc2ccccc2N1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000828516132 601173840 /nfs/dbraw/zinc/17/38/40/601173840.db2.gz IUTGXDHMOPADKV-ZDUSSCGKSA-N -1 0 341.432 3.845 20 0 EHADRM C[C@@H]1Sc2ccccc2N(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)[C@H]1C ZINC000828521272 601173947 /nfs/dbraw/zinc/17/39/47/601173947.db2.gz JUGLTPRNLJFZAQ-FQUUOJAGSA-N -1 0 333.453 3.793 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000532000140 601184244 /nfs/dbraw/zinc/18/42/44/601184244.db2.gz GRGSRKWUDORRSI-AWEZNQCLSA-N -1 0 335.469 3.602 20 0 EHADRM O=C([O-])CC1(NC(=O)CCc2cc(Cl)cs2)CCCCC1 ZINC000532592958 601187510 /nfs/dbraw/zinc/18/75/10/601187510.db2.gz HPGIHMWCUYUVOA-UHFFFAOYSA-N -1 0 329.849 3.628 20 0 EHADRM CCCCO[C@H]1C[C@@H](NC(=O)Nc2ccc(NC(=O)[O-])cc2)C1(C)C ZINC000829413615 601191396 /nfs/dbraw/zinc/19/13/96/601191396.db2.gz WGOWOIADXIYSRF-CABCVRRESA-N -1 0 349.431 3.882 20 0 EHADRM O=C([O-])[C@H](OC(=O)CCn1cccc1)c1ccc(Cl)cc1Cl ZINC000833103783 601194064 /nfs/dbraw/zinc/19/40/64/601194064.db2.gz GBCNIRWXZBORHZ-CQSZACIVSA-N -1 0 342.178 3.554 20 0 EHADRM Cc1csc(C2(NC(=O)Nc3cccc(NC(=O)[O-])c3)CCC2)n1 ZINC000832988762 601223035 /nfs/dbraw/zinc/22/30/35/601223035.db2.gz GHTJRRLKJMNPKS-UHFFFAOYSA-N -1 0 346.412 3.742 20 0 EHADRM CO[C@H](C)c1nc(CNc2ccc(Cl)c(C(=O)[O-])c2)cs1 ZINC000831501602 601223232 /nfs/dbraw/zinc/22/32/32/601223232.db2.gz UQLPXPNVHWMHOI-MRVPVSSYSA-N -1 0 326.805 3.814 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N(CC(F)F)c2ccccc2)cc1 ZINC000833312930 601225015 /nfs/dbraw/zinc/22/50/15/601225015.db2.gz GHJCWWABZZLDOB-UHFFFAOYSA-N -1 0 333.334 3.616 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Oc2cccc(Oc3ccccn3)c2)C1 ZINC000833186878 601236985 /nfs/dbraw/zinc/23/69/85/601236985.db2.gz IYDNFCCXVLJWGM-KBPBESRZSA-N -1 0 341.363 3.670 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)O[C@@H](c2ccccc2)c2cccnc2)C1 ZINC000833184611 601239489 /nfs/dbraw/zinc/23/94/89/601239489.db2.gz AANZXDACJONDRL-NUJGCVRESA-N -1 0 339.391 3.605 20 0 EHADRM O=C([O-])c1cc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)ccn1 ZINC000237993809 601242278 /nfs/dbraw/zinc/24/22/78/601242278.db2.gz ZLFSNDZDVHSVDH-UHFFFAOYSA-N -1 0 330.343 3.603 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)c1ccccc1 ZINC000237524379 601244349 /nfs/dbraw/zinc/24/43/49/601244349.db2.gz LARIKTMBHXEWGY-QPUJVOFHSA-N -1 0 341.194 3.513 20 0 EHADRM O=C([O-])c1cc(C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)ccn1 ZINC000237978939 601246261 /nfs/dbraw/zinc/24/62/61/601246261.db2.gz RROGWHIOAHNJLF-GOSISDBHSA-N -1 0 349.390 3.629 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(NC[C@@H](C)c3ccncc3)c12 ZINC000833003285 601252854 /nfs/dbraw/zinc/25/28/54/601252854.db2.gz RRDZGVOZAZBHBD-SECBINFHSA-N -1 0 342.424 3.617 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CC3(CCCC3)c3ccccc32)C1 ZINC000180126387 601271013 /nfs/dbraw/zinc/27/10/13/601271013.db2.gz UTVTXRHMVPHEBK-CABCVRRESA-N -1 0 327.424 3.736 20 0 EHADRM O=C([O-])c1cc(C(=O)Nc2ccccc2SC(F)(F)F)ccn1 ZINC000237987603 601282098 /nfs/dbraw/zinc/28/20/98/601282098.db2.gz JILGRRDNCGTVEL-UHFFFAOYSA-N -1 0 342.298 3.644 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000776619918 601286185 /nfs/dbraw/zinc/28/61/85/601286185.db2.gz AHIJPOPSSHWGJF-UJGDBWEASA-N -1 0 327.355 3.513 20 0 EHADRM C[C@H](c1ccccc1)[C@@](C)(O)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000827941613 601287435 /nfs/dbraw/zinc/28/74/35/601287435.db2.gz LXFUTZPUIILFLL-ADLMAVQZSA-N -1 0 347.798 3.531 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)Cc1c(F)cccc1Cl)c1ccccc1 ZINC000237612857 601295202 /nfs/dbraw/zinc/29/52/02/601295202.db2.gz MNFDLMQAVMXPRN-GTNSWQLSSA-N -1 0 349.789 3.600 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(-c2ccccc2)nc1C ZINC000262910125 601304529 /nfs/dbraw/zinc/30/45/29/601304529.db2.gz HIEJHSAWNRICFX-UHFFFAOYSA-N -1 0 340.423 3.820 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1csc(-c2cccs2)n1 ZINC000262176644 601308094 /nfs/dbraw/zinc/30/80/94/601308094.db2.gz OHPWYBYXTWFNBH-UHFFFAOYSA-N -1 0 338.454 3.635 20 0 EHADRM Cc1cccc(NC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)c1C ZINC000832971374 601308858 /nfs/dbraw/zinc/30/88/58/601308858.db2.gz XOBKZAHXFIGMIC-MRXNPFEDSA-N -1 0 330.359 3.780 20 0 EHADRM Cn1cc(NC(=O)C2(c3cccs3)CCCCC2)cc1C(=O)[O-] ZINC000833045379 601313002 /nfs/dbraw/zinc/31/30/02/601313002.db2.gz LAEFGWIOSMPTTI-UHFFFAOYSA-N -1 0 332.425 3.625 20 0 EHADRM CSc1ccc(NC(=O)NCCCCCC(=O)[O-])cc1Cl ZINC000417742655 601314936 /nfs/dbraw/zinc/31/49/36/601314936.db2.gz BAOBXUWBWPQVIV-UHFFFAOYSA-N -1 0 330.837 3.828 20 0 EHADRM Cn1cc(NC(=O)c2sccc2-c2ccc(F)cc2)cc1C(=O)[O-] ZINC000833051258 601316920 /nfs/dbraw/zinc/31/69/20/601316920.db2.gz QUPCPHLTRORMRU-UHFFFAOYSA-N -1 0 344.367 3.843 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000832766544 601321071 /nfs/dbraw/zinc/32/10/71/601321071.db2.gz CIFBPUDIMNHYDV-UHFFFAOYSA-N -1 0 344.392 3.585 20 0 EHADRM CC[C@](C)(NCCOc1ccc(C(=O)[O-])cc1Cl)C(F)(F)F ZINC000828692990 601322072 /nfs/dbraw/zinc/32/20/72/601322072.db2.gz PLIWNLVXWDJDOR-ZDUSSCGKSA-N -1 0 339.741 3.738 20 0 EHADRM COc1cc2nc(/C=C\c3ccc(C(=O)[O-])[nH]3)sc2cc1OC ZINC000832111091 601331612 /nfs/dbraw/zinc/33/16/12/601331612.db2.gz BJNLRISZOGXYQA-XQRVVYSFSA-N -1 0 330.365 3.510 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000828201928 601334359 /nfs/dbraw/zinc/33/43/59/601334359.db2.gz XTDUCAVHRMZKKM-FCHSOHFDSA-N -1 0 338.354 3.848 20 0 EHADRM Cc1cccc([C@@H](NC(=O)N2CCC[C@H](C(=O)[O-])C2)C(C)(C)C)c1 ZINC000263226805 601337428 /nfs/dbraw/zinc/33/74/28/601337428.db2.gz LYLAUKOEQSPZQX-JKSUJKDBSA-N -1 0 332.444 3.588 20 0 EHADRM O=C([O-])Nc1ccccc1OCc1ccn(-c2cccc(F)c2)n1 ZINC000833287765 601369591 /nfs/dbraw/zinc/36/95/91/601369591.db2.gz OPTFOAJWCHTULQ-UHFFFAOYSA-N -1 0 327.315 3.680 20 0 EHADRM O=C([O-])Nc1ccc(O[C@@H]2CCN(c3cccc(Cl)c3)C2=O)cc1 ZINC000833289085 601389825 /nfs/dbraw/zinc/38/98/25/601389825.db2.gz FPXQPWCNCBMMHO-OAHLLOKOSA-N -1 0 346.770 3.614 20 0 EHADRM CCC(C)(C)NC(=O)c1ccc(NCc2cc(C(=O)[O-])oc2C)cc1 ZINC000828612282 601390632 /nfs/dbraw/zinc/39/06/32/601390632.db2.gz SBLVGKNUMPRHFK-UHFFFAOYSA-N -1 0 344.411 3.817 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000237617736 601392377 /nfs/dbraw/zinc/39/23/77/601392377.db2.gz GZMLDWDRHPHGGI-XKDXWZMYSA-N -1 0 341.382 3.507 20 0 EHADRM CCSc1nnc(SCc2cc(C(=O)[O-])oc2CC)s1 ZINC000830174180 601395231 /nfs/dbraw/zinc/39/52/31/601395231.db2.gz AJFVUPLPDATVEI-UHFFFAOYSA-N -1 0 330.456 3.796 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Oc2ccc(NC(=O)[O-])cc2)cc1 ZINC000832220909 601395699 /nfs/dbraw/zinc/39/56/99/601395699.db2.gz LVLZHSLRYFRLNN-LBPRGKRZSA-N -1 0 329.352 3.884 20 0 EHADRM CC(C)(c1nc(COc2cccc(C(=O)[O-])c2)no1)c1ccccc1 ZINC000826641855 601403261 /nfs/dbraw/zinc/40/32/61/601403261.db2.gz INKHHPDXIUEILC-UHFFFAOYSA-N -1 0 338.363 3.673 20 0 EHADRM COc1ccccc1C1(c2nc(-c3ccc(C(=O)[O-])cc3)no2)CC1 ZINC000832601621 601403682 /nfs/dbraw/zinc/40/36/82/601403682.db2.gz MVDJEQPQKVMBHM-UHFFFAOYSA-N -1 0 336.347 3.523 20 0 EHADRM C/C(=C/COC(=O)c1csc(-c2cccc(Cl)c2)n1)C(=O)[O-] ZINC000825786470 601411836 /nfs/dbraw/zinc/41/18/36/601411836.db2.gz JYXPHHAKBKIEBM-UITAMQMPSA-N -1 0 337.784 3.651 20 0 EHADRM C/C(=C/COC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000825765822 601414376 /nfs/dbraw/zinc/41/43/76/601414376.db2.gz YCKQUKVUCXEJQR-FLIBITNWSA-N -1 0 349.770 3.502 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000563722693 601415267 /nfs/dbraw/zinc/41/52/67/601415267.db2.gz KBNAJOFCXDJTNG-ACJLOTCBSA-N -1 0 329.396 3.502 20 0 EHADRM C/C(=C\COC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000825758626 601427337 /nfs/dbraw/zinc/42/73/37/601427337.db2.gz MYDZAKJFZZQIEP-CDCCAWJDSA-N -1 0 330.302 3.773 20 0 EHADRM C/C(=C/COC(=O)C[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000825759182 601428143 /nfs/dbraw/zinc/42/81/43/601428143.db2.gz XVWOOOCUEJFKCQ-BRNRAETOSA-N -1 0 330.302 3.773 20 0 EHADRM CC1(C)CCC[C@@H]1N(Cc1ccccc1)C(=O)CCSCC(=O)[O-] ZINC000828060019 601430442 /nfs/dbraw/zinc/43/04/42/601430442.db2.gz AEIQXJGMZXCYNI-INIZCTEOSA-N -1 0 349.496 3.802 20 0 EHADRM O=C([O-])[C@H](Nc1ccc(OCC(F)F)cc1)c1ccc(F)cc1 ZINC000833168488 601433721 /nfs/dbraw/zinc/43/37/21/601433721.db2.gz CDPZHHHFZODIQC-OAHLLOKOSA-N -1 0 325.286 3.707 20 0 EHADRM O=C([O-])[C@H](CNc1ncc(Cl)cn1)Cc1cccc2ccccc21 ZINC000833164740 601434967 /nfs/dbraw/zinc/43/49/67/601434967.db2.gz YDVJJQDQPDDZSS-AWEZNQCLSA-N -1 0 341.798 3.639 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CCC1 ZINC000262409518 601436550 /nfs/dbraw/zinc/43/65/50/601436550.db2.gz BEIGXTXOVGRRLX-MNOVXSKESA-N -1 0 342.222 3.611 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CCC1 ZINC000262510244 601437999 /nfs/dbraw/zinc/43/79/99/601437999.db2.gz KAXWPGPIHIFCFW-VXGBXAGGSA-N -1 0 342.222 3.611 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CCC1 ZINC000262510241 601438056 /nfs/dbraw/zinc/43/80/56/601438056.db2.gz KAXWPGPIHIFCFW-NWDGAFQWSA-N -1 0 342.222 3.611 20 0 EHADRM Cc1cc(NC(=O)c2c(F)c(F)cc(F)c2F)ccc1C(=O)[O-] ZINC000237727328 601450444 /nfs/dbraw/zinc/45/04/44/601450444.db2.gz DIXAZQVZGHLROL-UHFFFAOYSA-N -1 0 327.233 3.502 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000830384407 601462087 /nfs/dbraw/zinc/46/20/87/601462087.db2.gz QNYUQOPUMNRVDP-GXSJLCMTSA-N -1 0 348.317 3.952 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000767050392 601470325 /nfs/dbraw/zinc/47/03/25/601470325.db2.gz BZWAAHUQXOEGIM-LYOVBCGYSA-N -1 0 344.238 3.857 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000767053906 601470803 /nfs/dbraw/zinc/47/08/03/601470803.db2.gz FOIOPHAMIXHVQC-WOSRLPQWSA-N -1 0 344.238 3.857 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)Cc1coc2ccc3ccccc3c12 ZINC000767054752 601470834 /nfs/dbraw/zinc/47/08/34/601470834.db2.gz TXNQXCADDJRKIU-FQEVSTJZSA-N -1 0 339.391 3.888 20 0 EHADRM O=C([O-])[C@H](OC(=O)C/C=C/c1ccc(F)cc1)c1ccc(F)cc1 ZINC000833097061 601470827 /nfs/dbraw/zinc/47/08/27/601470827.db2.gz ZMXXLYBWRQQIHR-WZHGYECESA-N -1 0 332.302 3.737 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)Cc1coc2ccc3ccccc3c12 ZINC000767054754 601470944 /nfs/dbraw/zinc/47/09/44/601470944.db2.gz TXNQXCADDJRKIU-HXUWFJFHSA-N -1 0 339.391 3.888 20 0 EHADRM Cc1cc(OS(=O)(=O)c2ccc(C(=O)[O-])cc2)ccc1C(C)C ZINC000013075414 601481203 /nfs/dbraw/zinc/48/12/03/601481203.db2.gz RHSNCCLWOMCCKU-UHFFFAOYSA-N -1 0 334.393 3.584 20 0 EHADRM COc1cccc([C@H](C)CC(=O)O[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000832527809 601483764 /nfs/dbraw/zinc/48/37/64/601483764.db2.gz AVOWHAKWFMEUFF-ACJLOTCBSA-N -1 0 328.364 3.558 20 0 EHADRM COc1cccc([C@H](C)CC(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC000832527824 601483794 /nfs/dbraw/zinc/48/37/94/601483794.db2.gz BGIDJCVLKYTWBX-VXGBXAGGSA-N -1 0 332.352 3.784 20 0 EHADRM Cc1ccc(/C=C\CC(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1 ZINC000832927981 601499839 /nfs/dbraw/zinc/49/98/39/601499839.db2.gz FMKBFQOXUQSTJW-IHWYPQMZSA-N -1 0 325.364 3.500 20 0 EHADRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C1CC1)c1cccc(C(F)(F)F)c1 ZINC000828587195 601531870 /nfs/dbraw/zinc/53/18/70/601531870.db2.gz OVZFLMSEXWQDOY-KBPBESRZSA-N -1 0 343.345 3.569 20 0 EHADRM CC[C@H](C(=O)N[C@H](CC(=O)[O-])C1CC1)c1cccc(C(F)(F)F)c1 ZINC000828587197 601532118 /nfs/dbraw/zinc/53/21/18/601532118.db2.gz OVZFLMSEXWQDOY-UONOGXRCSA-N -1 0 343.345 3.569 20 0 EHADRM Cc1cc(C(=O)Nc2cccc3[nH]ccc32)cc(C)c1OCC(=O)[O-] ZINC000237880320 601537457 /nfs/dbraw/zinc/53/74/57/601537457.db2.gz YXJCWIGJHLHKFL-UHFFFAOYSA-N -1 0 338.363 3.500 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1Cc1csc(-c2ccoc2)n1 ZINC000833196070 601543076 /nfs/dbraw/zinc/54/30/76/601543076.db2.gz WBDGFSXGUSXXCA-INIZCTEOSA-N -1 0 340.404 3.587 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)/C=C\SCc2ccco2)ccc1F ZINC000833283612 601559332 /nfs/dbraw/zinc/55/93/32/601559332.db2.gz MGFVKWZJYILCTL-ALCCZGGFSA-N -1 0 336.344 3.894 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)C2(Cc3ccccc3)CC2)c2ccccc21 ZINC000833215213 601567024 /nfs/dbraw/zinc/56/70/24/601567024.db2.gz ABLSBQZQBWREDN-MRXNPFEDSA-N -1 0 335.403 3.614 20 0 EHADRM C[C@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1)c1cccc(F)c1 ZINC000539567200 601583271 /nfs/dbraw/zinc/58/32/71/601583271.db2.gz DDFGVJHYFVFUPA-PIGZYNQJSA-N -1 0 349.789 3.915 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cccc(F)c1Cl)c1ccc(Cl)cc1 ZINC000345795707 601583644 /nfs/dbraw/zinc/58/36/44/601583644.db2.gz XDKJXUSNOGLYEI-CYBMUJFWSA-N -1 0 342.153 3.688 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2cc(F)ccc2o1)c1ccc(Cl)cc1 ZINC000538466052 601585766 /nfs/dbraw/zinc/58/57/66/601585766.db2.gz BBESBDWZOZFUTL-OAHLLOKOSA-N -1 0 347.729 3.781 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2occc2s1)c1ccc(Cl)cc1 ZINC000833126348 601586666 /nfs/dbraw/zinc/58/66/66/601586666.db2.gz UKBQALNVHWHQCE-CYBMUJFWSA-N -1 0 335.768 3.703 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc(Oc2cccc(Cl)c2)cc1)C1CC1 ZINC000833125066 601597645 /nfs/dbraw/zinc/59/76/45/601597645.db2.gz GAYYBWJFFARKMQ-MRXNPFEDSA-N -1 0 345.782 3.725 20 0 EHADRM O=C([O-])[C@@H](OC(=O)C[C@H]1CCCCO1)c1ccc(Cl)cc1Cl ZINC000833094605 601605356 /nfs/dbraw/zinc/60/53/56/601605356.db2.gz XHZZPNSOOOWQKF-YGRLFVJLSA-N -1 0 347.194 3.622 20 0 EHADRM Cc1oc(CS(=O)(=O)CCC2C[C@H](C)C[C@@H](C)C2)cc1C(=O)[O-] ZINC000833028074 601613331 /nfs/dbraw/zinc/61/33/31/601613331.db2.gz ZYSBLSQTHQDYQF-VXGBXAGGSA-N -1 0 342.457 3.663 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1ccc(OC2CCCC2)cc1 ZINC000238097405 601614307 /nfs/dbraw/zinc/61/43/07/601614307.db2.gz WQPFTLLBGCDDMJ-UHFFFAOYSA-N -1 0 339.391 3.887 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)/C=C/c1nc2ccccc2s1 ZINC000238091651 601616144 /nfs/dbraw/zinc/61/61/44/601616144.db2.gz CACMPHREAAZRRN-MDZDMXLPSA-N -1 0 338.388 3.575 20 0 EHADRM Cc1ccc(-c2cc(C(=O)Nc3ccccc3CC(=O)[O-])on2)cc1 ZINC000237710697 601617291 /nfs/dbraw/zinc/61/72/91/601617291.db2.gz KGRKDJSXOMNIHV-UHFFFAOYSA-N -1 0 336.347 3.529 20 0 EHADRM CC(C)CN(C(=O)Nc1cccc(OCC(=O)[O-])c1)C1CCCC1 ZINC000325262685 601618626 /nfs/dbraw/zinc/61/86/26/601618626.db2.gz YOFWNGKVQYOQRU-UHFFFAOYSA-N -1 0 334.416 3.583 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c(C)c1 ZINC000013173800 601619393 /nfs/dbraw/zinc/61/93/93/601619393.db2.gz SSOOXBGETKWERD-INIZCTEOSA-N -1 0 331.799 3.903 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)C1 ZINC000647167631 601623584 /nfs/dbraw/zinc/62/35/84/601623584.db2.gz MWCSMLQBBMJAHL-ZMSDIMECSA-N -1 0 333.403 3.770 20 0 EHADRM CC[C@@H](C(=O)NCCCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000236966578 601623589 /nfs/dbraw/zinc/62/35/89/601623589.db2.gz KRFZTTMCSCRMBX-CYBMUJFWSA-N -1 0 331.334 3.570 20 0 EHADRM O=C([O-])c1ccc(CN[C@@H](c2ccccc2)C(F)(F)F)cc1F ZINC000833314423 601623790 /nfs/dbraw/zinc/62/37/90/601623790.db2.gz JMIRSHSIJXZEBR-AWEZNQCLSA-N -1 0 327.277 3.917 20 0 EHADRM O=C([O-])c1ccc(COc2ccc([N+](=O)[O-])cc2Cl)cc1F ZINC000318904442 601627530 /nfs/dbraw/zinc/62/75/30/601627530.db2.gz VHFLLMKSJGEVFH-UHFFFAOYSA-N -1 0 325.679 3.665 20 0 EHADRM O=C([O-])CN(C(=O)c1cc(-c2ccccc2)nc2ccccc21)C1CC1 ZINC000238086137 601632024 /nfs/dbraw/zinc/63/20/24/601632024.db2.gz HHTLTEPAECHQRG-UHFFFAOYSA-N -1 0 346.386 3.591 20 0 EHADRM COC(=O)c1cc(Cl)ccc1OCc1ccc(C(=O)[O-])c(F)c1 ZINC000831252043 601633820 /nfs/dbraw/zinc/63/38/20/601633820.db2.gz OUEPWGBJWSDLPK-UHFFFAOYSA-N -1 0 338.718 3.543 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CCCc1ccc(F)c(F)c1 ZINC000128697102 601636378 /nfs/dbraw/zinc/63/63/78/601636378.db2.gz SFIBETWHYUMXEY-UHFFFAOYSA-N -1 0 333.334 3.933 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cnc(Cc3ccccc3)s2)c1 ZINC000190877193 601637054 /nfs/dbraw/zinc/63/70/54/601637054.db2.gz WDMXOZAQYRYVFW-UHFFFAOYSA-N -1 0 338.388 3.684 20 0 EHADRM C[C@@H](CSc1ccc(F)cc1)C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC000827581104 601646961 /nfs/dbraw/zinc/64/69/61/601646961.db2.gz IHFJJDRENHAFDH-LBPRGKRZSA-N -1 0 348.395 3.787 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CNC1(c2noc(C3CC3)n2)CCCC1 ZINC000833030712 601647483 /nfs/dbraw/zinc/64/74/83/601647483.db2.gz BINQENFKKKGUTE-UHFFFAOYSA-N -1 0 347.440 3.574 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NCc1coc(-c2ccccc2)n1)c1ccccc1 ZINC000426714056 601652120 /nfs/dbraw/zinc/65/21/20/601652120.db2.gz BLADMSXWUUNNGZ-KSSFIOAISA-N -1 0 336.391 3.893 20 0 EHADRM C[C@H](CSc1ccc(F)cc1)C(=O)Nc1ccsc1C(=O)[O-] ZINC000827581274 601654237 /nfs/dbraw/zinc/65/42/37/601654237.db2.gz KXLOQKJCSMTESP-SECBINFHSA-N -1 0 339.413 3.952 20 0 EHADRM Cc1nc(CC(C)C)c(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)s1 ZINC000190919247 601658932 /nfs/dbraw/zinc/65/89/32/601658932.db2.gz IHIPAMVIAJOCQA-UHFFFAOYSA-N -1 0 346.452 3.620 20 0 EHADRM Cn1cc(CCC(=O)Oc2ccc(NC(=O)[O-])cc2)c2ccccc21 ZINC000833044788 601667219 /nfs/dbraw/zinc/66/72/19/601667219.db2.gz GOHDKRZUFYKLOV-UHFFFAOYSA-N -1 0 338.363 3.806 20 0 EHADRM Cc1occc1-c1nnc(SCc2cc(C(=O)[O-])sc2C)o1 ZINC000833029416 601671965 /nfs/dbraw/zinc/67/19/65/601671965.db2.gz AETYLTGYAFERCE-UHFFFAOYSA-N -1 0 336.394 3.998 20 0 EHADRM C[C@@H](CN(C(=O)CCCc1csc2ccccc12)C1CC1)C(=O)[O-] ZINC000237430850 601673625 /nfs/dbraw/zinc/67/36/25/601673625.db2.gz ZMSDDBTXMVKYJH-ZDUSSCGKSA-N -1 0 345.464 3.936 20 0 EHADRM COC(=O)c1ccc(CSCc2cccc(C(=O)[O-])c2)cc1F ZINC000831385007 601674217 /nfs/dbraw/zinc/67/42/17/601674217.db2.gz JJDUWQZBQRIGHN-UHFFFAOYSA-N -1 0 334.368 3.744 20 0 EHADRM CC[C@H](NC(=O)c1ccc(-c2ccc(C)c(C)c2)cc1F)C(=O)[O-] ZINC000237061202 601677011 /nfs/dbraw/zinc/67/70/11/601677011.db2.gz IZMNJLBFBJEZON-KRWDZBQOSA-N -1 0 329.371 3.703 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)CCCc2csc3ccccc23)o1 ZINC000345864223 601677842 /nfs/dbraw/zinc/67/78/42/601677842.db2.gz MOOZBDBOHJTBCA-UHFFFAOYSA-N -1 0 343.404 3.832 20 0 EHADRM CC[C@@H](C)c1ccc(C(=O)N(CC(=O)[O-])c2cccc(C)n2)cc1 ZINC000828764967 601678199 /nfs/dbraw/zinc/67/81/99/601678199.db2.gz RPKJNVKGUYZDDT-CYBMUJFWSA-N -1 0 326.396 3.635 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12 ZINC000351533818 601678662 /nfs/dbraw/zinc/67/86/62/601678662.db2.gz JAQNYAWUZGMZBW-UHFFFAOYSA-N -1 0 340.423 3.666 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cc(F)cc(Cl)c1)c1ccccc1 ZINC000826039633 601678714 /nfs/dbraw/zinc/67/87/14/601678714.db2.gz WVFDIVUENBFZJU-BMIGLBTASA-N -1 0 335.762 3.671 20 0 EHADRM CC(C)C[C@H](C)OCCC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000236743392 601678895 /nfs/dbraw/zinc/67/88/95/601678895.db2.gz CCAGLOTWJNFCLV-NSHDSACASA-N -1 0 327.808 3.818 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(Nc2c(F)c(F)nc(F)c2F)cc1 ZINC000826126420 601680085 /nfs/dbraw/zinc/68/00/85/601680085.db2.gz BKNDURJATXJNQM-UHFFFAOYSA-N -1 0 328.265 3.744 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Cc2c(F)cccc2F)cc1 ZINC000325290612 601681169 /nfs/dbraw/zinc/68/11/69/601681169.db2.gz RVCKVZNAPIJWRU-UHFFFAOYSA-N -1 0 333.334 3.508 20 0 EHADRM CC[C@@H](C)c1ccc(C(=O)N(CCC(=O)[O-])Cc2ccncc2)cc1 ZINC000828764796 601685967 /nfs/dbraw/zinc/68/59/67/601685967.db2.gz NOXCAUYNAAMIBC-OAHLLOKOSA-N -1 0 340.423 3.712 20 0 EHADRM CC(C)c1ccc(NC(=O)N2CC[C@@](F)(C(=O)[O-])C2)c(C(C)C)c1 ZINC000827124561 601689848 /nfs/dbraw/zinc/68/98/48/601689848.db2.gz PLEKZCNEVFWARJ-SFHVURJKSA-N -1 0 336.407 3.964 20 0 EHADRM CCOc1ccc(NC(=O)NCC2(C(=O)[O-])CCCC2)cc1Cl ZINC000830085381 601696536 /nfs/dbraw/zinc/69/65/36/601696536.db2.gz VOJOAIGBFAJPJU-UHFFFAOYSA-N -1 0 340.807 3.505 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1c(F)cccc1Cl ZINC000833032580 601704279 /nfs/dbraw/zinc/70/42/79/601704279.db2.gz BZLDIZSFSCDJFB-UHFFFAOYSA-N -1 0 328.748 3.904 20 0 EHADRM COc1ccc(/C=C\C(=O)OCc2cc(C(=O)[O-])sc2C)cc1 ZINC000832282560 601704287 /nfs/dbraw/zinc/70/42/87/601704287.db2.gz UUFYCVNVRXVCTH-YVMONPNESA-N -1 0 332.377 3.520 20 0 EHADRM Cc1cccc2sc(C(=O)N3C[C@H](C)[C@@H](C(=O)[O-])C3)c(Cl)c21 ZINC000832973422 601709271 /nfs/dbraw/zinc/70/92/71/601709271.db2.gz BIDYVDMILUGUCP-UWVGGRQHSA-N -1 0 337.828 3.656 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1F ZINC000833313847 601714228 /nfs/dbraw/zinc/71/42/28/601714228.db2.gz DHNFUZAFAKFFHE-HUUCEWRRSA-N -1 0 332.302 3.510 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000827907946 601723103 /nfs/dbraw/zinc/72/31/03/601723103.db2.gz CYFUJAVZCFSOKD-GFCCVEGCSA-N -1 0 348.395 3.889 20 0 EHADRM O=C([O-])c1ccc(COC(=O)CCc2ccc(Cl)s2)cc1F ZINC000833102094 601723709 /nfs/dbraw/zinc/72/37/09/601723709.db2.gz BENSFMBMYHBXLO-UHFFFAOYSA-N -1 0 342.775 3.915 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)Cc1c[nH]c2cccc(C)c12 ZINC000833031378 601727996 /nfs/dbraw/zinc/72/79/96/601727996.db2.gz JSXCXGPVSBZFNK-UHFFFAOYSA-N -1 0 343.404 3.830 20 0 EHADRM O=C([O-])CCCc1csc(NC(=O)C/C=C\c2ccc(F)cc2)n1 ZINC000833229368 601742509 /nfs/dbraw/zinc/74/25/09/601742509.db2.gz YWLXKELMFIAKMQ-IWQZZHSRSA-N -1 0 348.399 3.732 20 0 EHADRM O=C([O-])CCCc1csc(NC(=O)CC/C=C/c2ccccc2)n1 ZINC000833228814 601743246 /nfs/dbraw/zinc/74/32/46/601743246.db2.gz AGGBHRJQNHPDBF-RUDMXATFSA-N -1 0 344.436 3.983 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC000678986631 601743664 /nfs/dbraw/zinc/74/36/64/601743664.db2.gz QOVKTVSUMGBXRJ-SCLBCKFNSA-N -1 0 329.371 3.570 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC000678991280 601745830 /nfs/dbraw/zinc/74/58/30/601745830.db2.gz ZDYSHVKCDIHEDZ-AWEZNQCLSA-N -1 0 345.301 3.575 20 0 EHADRM Cc1ccc(/C=C\CC(=O)Nc2nc(CCCC(=O)[O-])cs2)cc1 ZINC000832930661 601746987 /nfs/dbraw/zinc/74/69/87/601746987.db2.gz ZEJYDEJZONOEGL-RQOWECAXSA-N -1 0 344.436 3.901 20 0 EHADRM Cc1c2nc(NC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)sc2ccc1F ZINC000832854669 601750389 /nfs/dbraw/zinc/75/03/89/601750389.db2.gz NERNEKFDPKURCQ-NXEZZACHSA-N -1 0 336.388 3.573 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cccc(-c2cscn2)c1)C1CCCCC1 ZINC000833124096 601753797 /nfs/dbraw/zinc/75/37/97/601753797.db2.gz JMCSAKCBTHWRQG-INIZCTEOSA-N -1 0 344.436 3.573 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000833289030 601756319 /nfs/dbraw/zinc/75/63/19/601756319.db2.gz ZNJIIDAGSOCPCE-MNOVXSKESA-N -1 0 344.333 3.875 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)NCC(C)(C)C(=O)[O-] ZINC000832853144 601759446 /nfs/dbraw/zinc/75/94/46/601759446.db2.gz FNFSRIPIXJBVOE-UHFFFAOYSA-N -1 0 336.432 3.542 20 0 EHADRM Cn1cc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1C(=O)[O-] ZINC000833044345 601761122 /nfs/dbraw/zinc/76/11/22/601761122.db2.gz DIAHTKZQRLEMPP-UHFFFAOYSA-N -1 0 348.358 3.600 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc3oc4ccccc4c3c2)C[C@@H]1C(=O)[O-] ZINC000828376791 601770147 /nfs/dbraw/zinc/77/01/47/601770147.db2.gz DXSKBNBVBYAICG-ABAIWWIYSA-N -1 0 338.363 3.770 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)ccc1Cl ZINC000833300059 601780117 /nfs/dbraw/zinc/78/01/17/601780117.db2.gz IQURCACYVMOWMZ-CYBMUJFWSA-N -1 0 348.790 3.520 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1F ZINC000325434402 601791343 /nfs/dbraw/zinc/79/13/43/601791343.db2.gz BCXDPCMPPPWXEG-JTQLQIEISA-N -1 0 334.322 3.854 20 0 EHADRM Cc1sc(NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)c(C(=O)[O-])c1C ZINC000833036905 601791418 /nfs/dbraw/zinc/79/14/18/601791418.db2.gz QLNUGVZSIVZDAG-LLVKDONJSA-N -1 0 348.428 3.545 20 0 EHADRM CC(C)[C@@H]1CCN(C(=O)Nc2cccc(CSCC(=O)[O-])c2)C1 ZINC000826735959 601791660 /nfs/dbraw/zinc/79/16/60/601791660.db2.gz KNMLLOQKTONPEN-CQSZACIVSA-N -1 0 336.457 3.514 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(OC3CCCCC3)cc2)C[C@@H]1C(=O)[O-] ZINC000828378589 601793287 /nfs/dbraw/zinc/79/32/87/601793287.db2.gz RZIASILQCVPBOQ-GUYCJALGSA-N -1 0 346.427 3.583 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1F ZINC000832920570 601794658 /nfs/dbraw/zinc/79/46/58/601794658.db2.gz DEVZRVSNZCOUTJ-GFCCVEGCSA-N -1 0 345.374 3.784 20 0 EHADRM Cc1ccc(NC(=O)N2CC[C@@](C)(c3ccccc3)C2)cc1C(=O)[O-] ZINC000832946374 601796970 /nfs/dbraw/zinc/79/69/70/601796970.db2.gz UPIFVFJVTNKSGA-HXUWFJFHSA-N -1 0 338.407 3.889 20 0 EHADRM Cc1cccc(N(CC(=O)[O-])C(=O)[C@H](C)c2ccc3ccccc3c2)n1 ZINC000832970129 601803994 /nfs/dbraw/zinc/80/39/94/601803994.db2.gz SQUDTWOXLWUNLB-OAHLLOKOSA-N -1 0 348.402 3.765 20 0 EHADRM O=C([O-])c1c(C2CC2)csc1NC(=O)CSCc1cccnc1 ZINC000833115997 601808358 /nfs/dbraw/zinc/80/83/58/601808358.db2.gz NZXBGXUKFQBEJV-UHFFFAOYSA-N -1 0 348.449 3.591 20 0 EHADRM Cc1cc(CCCC(=O)NC[C@H](C(=O)[O-])c2ccccc2)c(C)s1 ZINC000262143001 601812807 /nfs/dbraw/zinc/81/28/07/601812807.db2.gz LBHITLLTUDLNIV-KRWDZBQOSA-N -1 0 345.464 3.672 20 0 EHADRM CC[C@H](C)[C@H](C(=O)N1CCC(CCC(=O)[O-])CC1)c1ccccc1 ZINC000324426996 601816487 /nfs/dbraw/zinc/81/64/87/601816487.db2.gz OWDGQBSXSGWKMX-KXBFYZLASA-N -1 0 331.456 3.920 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000050922277 601819393 /nfs/dbraw/zinc/81/93/93/601819393.db2.gz HBDDKACJNCAERD-UHFFFAOYSA-N -1 0 330.211 3.710 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000540784896 601820233 /nfs/dbraw/zinc/82/02/33/601820233.db2.gz PSYBYYDFIRTTLV-OAHLLOKOSA-N -1 0 347.455 3.682 20 0 EHADRM C[C@@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000390559872 601823112 /nfs/dbraw/zinc/82/31/12/601823112.db2.gz MIEQAJHTXUDYEQ-GFCCVEGCSA-N -1 0 338.835 3.687 20 0 EHADRM Cc1c2ccccc2oc1CNC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000659397820 601827286 /nfs/dbraw/zinc/82/72/86/601827286.db2.gz MTIRDGNLCALGIV-UHFFFAOYSA-N -1 0 344.411 3.528 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000324566739 601838168 /nfs/dbraw/zinc/83/81/68/601838168.db2.gz VMTWOKYHTWGGKX-UHFFFAOYSA-N -1 0 344.333 3.814 20 0 EHADRM O=C([O-])c1ccc(CSc2ccc(Br)cn2)s1 ZINC000079421627 601846120 /nfs/dbraw/zinc/84/61/20/601846120.db2.gz NKNQWDAHOIMRJM-UHFFFAOYSA-N -1 0 330.228 3.896 20 0 EHADRM Cc1ccc(-c2cncc(C(=O)Nc3ccc(CC(=O)[O-])cc3)c2)cc1 ZINC000832906955 601847737 /nfs/dbraw/zinc/84/77/37/601847737.db2.gz GQYBYJGDFIBGQC-UHFFFAOYSA-N -1 0 346.386 3.936 20 0 EHADRM C[C@@H](NC(=O)NCc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000320348023 601848217 /nfs/dbraw/zinc/84/82/17/601848217.db2.gz DYOHATBCSWPJAM-LLVKDONJSA-N -1 0 332.787 3.599 20 0 EHADRM COc1ccc(CNC(=O)N2CCCC[C@H]2CC(C)C)cc1C(=O)[O-] ZINC000832323513 601850776 /nfs/dbraw/zinc/85/07/76/601850776.db2.gz LXAXQOZYGSMPQO-HNNXBMFYSA-N -1 0 348.443 3.504 20 0 EHADRM O=C([O-])c1cc(NC2CC=CC2)c2cc(Br)ccc2n1 ZINC000833300858 601864326 /nfs/dbraw/zinc/86/43/26/601864326.db2.gz SBJYSPHVHRLAKS-UHFFFAOYSA-N -1 0 333.185 3.826 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)NCc2cccc(C(=O)[O-])c2)cc1C ZINC000666551979 601865508 /nfs/dbraw/zinc/86/55/08/601865508.db2.gz QUKZZWUUDNYGKS-CQSZACIVSA-N -1 0 326.396 3.562 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)c2cncc(-c3ccccc3)c2)cc1 ZINC000833280234 601866513 /nfs/dbraw/zinc/86/65/13/601866513.db2.gz CQFNFDBKIOHUDU-UHFFFAOYSA-N -1 0 347.374 3.769 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1cncc(-c2ccccc2)c1 ZINC000238102692 601867787 /nfs/dbraw/zinc/86/77/87/601867787.db2.gz ZCNCCKFWTPYEFM-UHFFFAOYSA-N -1 0 332.359 3.628 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)[C@H]2CSc3ccccc32)cc1 ZINC000833262701 601876930 /nfs/dbraw/zinc/87/69/30/601876930.db2.gz DYTAQZZTVOCVAK-AWEZNQCLSA-N -1 0 346.429 3.658 20 0 EHADRM CCCCOc1ccc(NC(=O)C2CCC(NC(=O)[O-])CC2)c(C)c1 ZINC000739339734 601889251 /nfs/dbraw/zinc/88/92/51/601889251.db2.gz RFLICQXFFBARPF-UHFFFAOYSA-N -1 0 348.443 3.939 20 0 EHADRM O=C([O-])NCCCC(=O)Nc1cccc(Cl)c1SC(F)F ZINC000739962489 601891657 /nfs/dbraw/zinc/89/16/57/601891657.db2.gz YDQXWIFMFSAVGA-UHFFFAOYSA-N -1 0 338.763 3.641 20 0 EHADRM Cc1ccc(C=Cc2nc(SCc3ccc(C(=O)[O-])s3)n[nH]2)o1 ZINC000832927854 601893373 /nfs/dbraw/zinc/89/33/73/601893373.db2.gz CJCKSFXUEAZNBS-QPJJXVBHSA-N -1 0 347.421 3.929 20 0 EHADRM CCC1CCC(N(C(=O)C2CCC(NC(=O)[O-])CC2)C2CC2)CC1 ZINC000739264022 601901658 /nfs/dbraw/zinc/90/16/58/601901658.db2.gz CJXKTHBOYPGQGZ-UHFFFAOYSA-N -1 0 336.476 3.773 20 0 EHADRM CN(Cc1cccc(F)c1F)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830845382 601903146 /nfs/dbraw/zinc/90/31/46/601903146.db2.gz VUVIKAXNJULNAR-OAHLLOKOSA-N -1 0 345.267 3.640 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)c1cc(F)c(F)cc1Cl ZINC000833131934 601905733 /nfs/dbraw/zinc/90/57/33/601905733.db2.gz LPTJRZMOOYLLKF-OTYXRUKQSA-N -1 0 345.773 3.772 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)c1ccc(F)cc1Cl ZINC000833131807 601910074 /nfs/dbraw/zinc/91/00/74/601910074.db2.gz GSZYVANCPKUVDY-JSGCOSHPSA-N -1 0 327.783 3.633 20 0 EHADRM CC(C)OCc1cccc(NC(=O)[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000738862848 601910973 /nfs/dbraw/zinc/91/09/73/601910973.db2.gz DZOXUMYTHOCVFA-QGZVFWFLSA-N -1 0 342.395 3.559 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)Nc2ccsc2)cc1 ZINC000832777621 601916281 /nfs/dbraw/zinc/91/62/81/601916281.db2.gz UWSCXEXPQKUEND-ZDUSSCGKSA-N -1 0 336.438 3.808 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)c1csc(-c2ccoc2)n1 ZINC000262147042 601916456 /nfs/dbraw/zinc/91/64/56/601916456.db2.gz SUPFFTFUILUWRO-CHWSQXEVSA-N -1 0 348.424 3.557 20 0 EHADRM Cc1cc(C(=O)NCc2cccc(C(=O)[O-])c2)cc(C)c1OC(F)F ZINC000237745641 601919416 /nfs/dbraw/zinc/91/94/16/601919416.db2.gz QGARCVFPSQXGAL-UHFFFAOYSA-N -1 0 349.333 3.533 20 0 EHADRM Cc1cc(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c(Cl)cc1F ZINC000832863100 601920735 /nfs/dbraw/zinc/92/07/35/601920735.db2.gz GFLFBWAVGHIQCG-UHFFFAOYSA-N -1 0 333.746 3.642 20 0 EHADRM CC(C)(Oc1cccc(Cl)c1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000236713726 601921989 /nfs/dbraw/zinc/92/19/89/601921989.db2.gz VINGTZKCYQQUOG-UHFFFAOYSA-N -1 0 347.798 3.512 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2cc3c(cccc3F)s2)c1 ZINC000319689146 601927775 /nfs/dbraw/zinc/92/77/75/601927775.db2.gz BMEATPIOSKNBMM-UHFFFAOYSA-N -1 0 329.352 3.669 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OC(=O)/C=C\SCc1ccco1 ZINC000833093210 601973068 /nfs/dbraw/zinc/97/30/68/601973068.db2.gz VVODQLHTNQHVHX-ALCCZGGFSA-N -1 0 338.768 3.984 20 0 EHADRM C[C@@H](C1CC1)N(C)C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000827212629 601977896 /nfs/dbraw/zinc/97/78/96/601977896.db2.gz FZFDNNHQDURQCU-QMMMGPOBSA-N -1 0 330.306 3.666 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000261610762 601983093 /nfs/dbraw/zinc/98/30/93/601983093.db2.gz DPUWIJBUDBRXAU-HXUWFJFHSA-N -1 0 336.391 3.586 20 0 EHADRM CCCCOc1ccc(NC(=O)N2CC[C@](C)(C(=O)[O-])C2)c(C)c1 ZINC000263501146 601990066 /nfs/dbraw/zinc/99/00/66/601990066.db2.gz SZMVFFGCDLKPGM-SFHVURJKSA-N -1 0 334.416 3.502 20 0 EHADRM Cc1c(C(=O)Nc2ccc(NC(=O)[O-])nc2)sc2nccc(C)c12 ZINC000740196280 601993380 /nfs/dbraw/zinc/99/33/80/601993380.db2.gz QBUBMXHLLVISIO-UHFFFAOYSA-N -1 0 342.380 3.650 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2nc(-c3ccccc3)cs2)cn1 ZINC000740711854 601993857 /nfs/dbraw/zinc/99/38/57/601993857.db2.gz NBLGNIRCMJERDF-UHFFFAOYSA-N -1 0 340.364 3.547 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000237675507 602001711 /nfs/dbraw/zinc/00/17/11/602001711.db2.gz DMSFNGNBDRJTHD-GOSISDBHSA-N -1 0 329.421 3.660 20 0 EHADRM CCc1cc(NC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)no1 ZINC000830224258 602015592 /nfs/dbraw/zinc/01/55/92/602015592.db2.gz JQUDFIFXBFPVOE-UHFFFAOYSA-N -1 0 343.261 3.598 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1cccc(Cl)c1F)c1ccccc1 ZINC000826044549 602024962 /nfs/dbraw/zinc/02/49/62/602024962.db2.gz IDVPYQZQWJAZMR-BONVTDFDSA-N -1 0 335.762 3.671 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1cc(Cl)ccc1NCc1ccccc1 ZINC000833180784 602037515 /nfs/dbraw/zinc/03/75/15/602037515.db2.gz IGBHCHJRLYRJPJ-UONOGXRCSA-N -1 0 344.798 3.611 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)c1cc(-c2cccs2)on1 ZINC000833132237 602055465 /nfs/dbraw/zinc/05/54/65/602055465.db2.gz YWNXVVDHERMLKH-NEPJUHHUSA-N -1 0 348.424 3.557 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000262994471 602061255 /nfs/dbraw/zinc/06/12/55/602061255.db2.gz MDJLNFTTXPOEDA-APWZRJJASA-N -1 0 348.418 3.563 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000262994473 602061398 /nfs/dbraw/zinc/06/13/98/602061398.db2.gz MDJLNFTTXPOEDA-QFBILLFUSA-N -1 0 348.418 3.563 20 0 EHADRM O=C([O-])c1ccc(OCc2ccccc2)c(NC(=O)c2ccccn2)c1 ZINC000833323979 602063560 /nfs/dbraw/zinc/06/35/60/602063560.db2.gz PIKZUXANQLEYNG-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2ccc(OC3CCCC3)cc2)c1 ZINC000238129369 602067392 /nfs/dbraw/zinc/06/73/92/602067392.db2.gz QIKXWLJMMASSMC-UHFFFAOYSA-N -1 0 339.391 3.887 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000237252515 602067884 /nfs/dbraw/zinc/06/78/84/602067884.db2.gz JWEIEZPRLQBGJE-AWEZNQCLSA-N -1 0 341.407 3.530 20 0 EHADRM Cc1ccccc1[C@@H](CC(C)C)NC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000263228366 602068950 /nfs/dbraw/zinc/06/89/50/602068950.db2.gz MBIXNKJBZRCMDP-APWZRJJASA-N -1 0 332.444 3.588 20 0 EHADRM CCCCOc1ccc(C(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000236676026 602071674 /nfs/dbraw/zinc/07/16/74/602071674.db2.gz NMXJMNLTPVHKQC-UHFFFAOYSA-N -1 0 327.380 3.745 20 0 EHADRM COc1ccccc1CC(C)(C)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000237137355 602073799 /nfs/dbraw/zinc/07/37/99/602073799.db2.gz BDZITTHDQXHCMI-UHFFFAOYSA-N -1 0 341.407 3.530 20 0 EHADRM Cc1cccc(C(=O)O[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)n1 ZINC000832963522 602081948 /nfs/dbraw/zinc/08/19/48/602081948.db2.gz WBEWSQRRNYYITI-ZDUSSCGKSA-N -1 0 340.162 3.680 20 0 EHADRM CC(C)SCC(=O)O[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000827072881 602082626 /nfs/dbraw/zinc/08/26/26/602082626.db2.gz LEERKJCFFGNWSU-LBPRGKRZSA-N -1 0 337.224 3.804 20 0 EHADRM Cc1nc2ccc(NC(=O)NCCCCCCCC(=O)[O-])cc2o1 ZINC000833005955 602095312 /nfs/dbraw/zinc/09/53/12/602095312.db2.gz KSBIVIXAAPADGG-UHFFFAOYSA-N -1 0 333.388 3.683 20 0 EHADRM CC(C)CC(=O)COC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000826747916 602098656 /nfs/dbraw/zinc/09/86/56/602098656.db2.gz SELWGWMHFWWYLR-UHFFFAOYSA-N -1 0 347.289 3.567 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)Cc3cccc(Cl)c3)ccc21 ZINC000740385505 602098809 /nfs/dbraw/zinc/09/88/09/602098809.db2.gz YVBUWXKQUUWURH-UHFFFAOYSA-N -1 0 330.771 3.562 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000827274119 602101309 /nfs/dbraw/zinc/10/13/09/602101309.db2.gz WEZVFSDNDSKFSJ-MEBBXXQBSA-N -1 0 337.828 3.718 20 0 EHADRM C[C@H](CC(=O)[O-])c1nc(-c2ccc(OCc3ccccc3)cc2)no1 ZINC000827392212 602102825 /nfs/dbraw/zinc/10/28/25/602102825.db2.gz VSFCWHBBXCPPMA-CYBMUJFWSA-N -1 0 338.363 3.894 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000666361682 602107717 /nfs/dbraw/zinc/10/77/17/602107717.db2.gz PDOOULWKGSKPMA-UONOGXRCSA-N -1 0 339.457 3.508 20 0 EHADRM O=C([O-])COc1ccc(NC[C@H]2CC2(Cl)Cl)c2ccccc12 ZINC000833258402 602114252 /nfs/dbraw/zinc/11/42/52/602114252.db2.gz KCRVBXSXELRITB-SNVBAGLBSA-N -1 0 340.206 3.909 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N[C@H](C)c1ccccc1OCc1ccccc1 ZINC000827303106 602116416 /nfs/dbraw/zinc/11/64/16/602116416.db2.gz BIFCEBRSQGEQFD-HUUCEWRRSA-N -1 0 341.407 3.554 20 0 EHADRM O=C([O-])c1c(F)cccc1NCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000833294836 602129420 /nfs/dbraw/zinc/12/94/20/602129420.db2.gz XNNHTFXCKXHWRW-UHFFFAOYSA-N -1 0 347.733 3.839 20 0 EHADRM CC(C)CC[C@@H]1CCCCN1C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000826845007 602134965 /nfs/dbraw/zinc/13/49/65/602134965.db2.gz OWFAKQWKFVKDQY-ZDUSSCGKSA-N -1 0 339.461 3.593 20 0 EHADRM CCC[C@H](NC(=O)[C@@H](C)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000829222862 602140894 /nfs/dbraw/zinc/14/08/94/602140894.db2.gz HFRYIRYPGYKVOE-GWCFXTLKSA-N -1 0 331.334 3.774 20 0 EHADRM CCC(=O)c1ccc(C(=O)N(c2ccccc2)[C@H](CC)C(=O)[O-])cc1 ZINC000828574191 602144669 /nfs/dbraw/zinc/14/46/69/602144669.db2.gz LBFIVLNYAYGYRQ-QGZVFWFLSA-N -1 0 339.391 3.789 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)c2ccc3sccc3c2)C(=O)[O-])cc1 ZINC000538471334 602149397 /nfs/dbraw/zinc/14/93/97/602149397.db2.gz MVLBGDJLTLFPTH-MRXNPFEDSA-N -1 0 339.416 3.808 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=S)Nc1ccccc1)c1ccccc1 ZINC000826105316 602152164 /nfs/dbraw/zinc/15/21/64/602152164.db2.gz AMKQLHMHWJGBNX-OAHLLOKOSA-N -1 0 328.437 3.825 20 0 EHADRM Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)[C@H](C)CC(=O)[O-] ZINC000832907432 602153536 /nfs/dbraw/zinc/15/35/36/602153536.db2.gz VFVACQQJARBVCN-VXGBXAGGSA-N -1 0 346.452 3.715 20 0 EHADRM Cc1ccc(COc2cccc(NC(=O)[C@@H](C)CC(=O)[O-])c2)cc1 ZINC000832935301 602158040 /nfs/dbraw/zinc/15/80/40/602158040.db2.gz YBBIFIJZEQJBDL-AWEZNQCLSA-N -1 0 327.380 3.623 20 0 EHADRM CCCC1(C(=O)NC[C@H](Cc2cccc3ccccc32)C(=O)[O-])CC1 ZINC000829231600 602160835 /nfs/dbraw/zinc/16/08/35/602160835.db2.gz YRWGVAVKPOQJSG-KRWDZBQOSA-N -1 0 339.435 3.780 20 0 EHADRM CCO[C@@H](CC(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C)C(C)C ZINC000829913510 602162268 /nfs/dbraw/zinc/16/22/68/602162268.db2.gz ZSTHLFDZTIDQTI-INIZCTEOSA-N -1 0 347.411 3.542 20 0 EHADRM COc1cc(OC)cc([C@@H](Nc2ccc(OC(C)C)cc2)C(=O)[O-])c1 ZINC000832067811 602167662 /nfs/dbraw/zinc/16/76/62/602167662.db2.gz RUCSGBYTFXCJCA-GOSISDBHSA-N -1 0 345.395 3.729 20 0 EHADRM COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)[C@@H](C)CC(=O)[O-] ZINC000832367467 602169137 /nfs/dbraw/zinc/16/91/37/602169137.db2.gz FPEMDVQOILGIDB-SMDDNHRTSA-N -1 0 341.835 3.663 20 0 EHADRM COc1cc(OC)cc([C@@H](Nc2ccc3scnc3c2)C(=O)[O-])c1 ZINC000832065194 602170754 /nfs/dbraw/zinc/17/07/54/602170754.db2.gz IBZWJAJPATXRNQ-MRXNPFEDSA-N -1 0 344.392 3.551 20 0 EHADRM CCCC1(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)CC1 ZINC000829238513 602171417 /nfs/dbraw/zinc/17/14/17/602171417.db2.gz WIPFPNHLRJYJPZ-UHFFFAOYSA-N -1 0 327.380 3.822 20 0 EHADRM CC(C)c1cccc(COC(=O)CCc2ccc(C(=O)[O-])cc2)n1 ZINC000827134043 602173656 /nfs/dbraw/zinc/17/36/56/602173656.db2.gz ABOVTILDYNIMAO-UHFFFAOYSA-N -1 0 327.380 3.579 20 0 EHADRM Cc1sc(NC(=O)[C@@H](C)CC(=O)[O-])nc1-c1ccc2c(c1)CCC2 ZINC000833034622 602176057 /nfs/dbraw/zinc/17/60/57/602176057.db2.gz ZMKSZFVAQOQPHY-JTQLQIEISA-N -1 0 344.436 3.657 20 0 EHADRM Cc1cccc(OCCC(=O)Nc2ccccc2NC(=O)[O-])c1C ZINC000740173609 602176373 /nfs/dbraw/zinc/17/63/73/602176373.db2.gz PPWLQSFTBRPSFG-UHFFFAOYSA-N -1 0 328.368 3.801 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)c1cc(-c2ccccc2F)on1 ZINC000740715782 602176611 /nfs/dbraw/zinc/17/66/11/602176611.db2.gz OUNTYTJWVMTXPJ-UHFFFAOYSA-N -1 0 341.298 3.823 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)CCCOc1ccc(F)cc1 ZINC000740713829 602176797 /nfs/dbraw/zinc/17/67/97/602176797.db2.gz AYHSRBHQFDFALE-UHFFFAOYSA-N -1 0 332.331 3.713 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 ZINC000191361550 602182404 /nfs/dbraw/zinc/18/24/04/602182404.db2.gz YLXCPEWFEYIGMK-UHFFFAOYSA-N -1 0 348.361 3.822 20 0 EHADRM O=C([O-])c1csc(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)c1 ZINC000833117119 602184063 /nfs/dbraw/zinc/18/40/63/602184063.db2.gz ZVGVTWZHEZKFQX-UHFFFAOYSA-N -1 0 334.784 3.762 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2csc(-c3ccccc3)n2)c1 ZINC000191379508 602185271 /nfs/dbraw/zinc/18/52/71/602185271.db2.gz FRYUYQLUUMAHEL-UHFFFAOYSA-N -1 0 330.390 3.822 20 0 EHADRM Cc1nc2ccc(NC(=O)c3ccc(CNC(=O)[O-])cc3)cc2s1 ZINC000740229472 602228066 /nfs/dbraw/zinc/22/80/66/602228066.db2.gz KMZMGUQRNYWMOG-UHFFFAOYSA-N -1 0 341.392 3.625 20 0 EHADRM Cc1cccc(NC(=O)c2cccn2C2CCN(C(=O)[O-])CC2)c1C ZINC000740173783 602229683 /nfs/dbraw/zinc/22/96/83/602229683.db2.gz WXNIRSLPZKGRSP-UHFFFAOYSA-N -1 0 341.411 3.672 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)Nc1ccc(Cl)nc1)c1ccccc1 ZINC000826103182 602233831 /nfs/dbraw/zinc/23/38/31/602233831.db2.gz NUHMVDCXPCLELJ-CQSZACIVSA-N -1 0 347.802 3.709 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)c3ccnc4ccccc43)ccc21 ZINC000740468588 602240794 /nfs/dbraw/zinc/24/07/94/602240794.db2.gz AIJCQIMWGOLPGF-UHFFFAOYSA-N -1 0 333.347 3.528 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)/C=C/c3cccc(F)c3)ccc21 ZINC000740346512 602241808 /nfs/dbraw/zinc/24/18/08/602241808.db2.gz JSJDLVHUZAZHIS-QPJJXVBHSA-N -1 0 326.327 3.518 20 0 EHADRM Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)CCNC(=O)[O-] ZINC000738239030 602246554 /nfs/dbraw/zinc/24/65/54/602246554.db2.gz GMMBNEUWQRLCJD-CQSZACIVSA-N -1 0 342.395 3.731 20 0 EHADRM Cc1ccc(S[C@@H](C(=O)N[C@H](C)C(=O)[O-])c2ccccc2)c(C)c1 ZINC000237424508 602252326 /nfs/dbraw/zinc/25/23/26/602252326.db2.gz SGASAZRCBSTUIX-RHSMWYFYSA-N -1 0 343.448 3.726 20 0 EHADRM CC[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000739247986 602252529 /nfs/dbraw/zinc/25/25/29/602252529.db2.gz ZRELXSNCGAJGTJ-HNNXBMFYSA-N -1 0 340.423 3.895 20 0 EHADRM Cc1oc(-c2cccs2)nc1CN1CCCC[C@@H]1[C@@H](C)NC(=O)[O-] ZINC000740274535 602264310 /nfs/dbraw/zinc/26/43/10/602264310.db2.gz OAYLFAYRFKWWJF-BXUZGUMPSA-N -1 0 349.456 3.722 20 0 EHADRM CC(C)CC1CCN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)CC1 ZINC000826839741 602278547 /nfs/dbraw/zinc/27/85/47/602278547.db2.gz GWDXTIKXVIAYRH-UHFFFAOYSA-N -1 0 332.444 3.994 20 0 EHADRM O=C([O-])NCCOc1cccc(NC(=O)Nc2ccccc2Cl)c1 ZINC000740667671 602282874 /nfs/dbraw/zinc/28/28/74/602282874.db2.gz KNJDIAAWSCVOQC-UHFFFAOYSA-N -1 0 349.774 3.630 20 0 EHADRM COc1ccc2cc(C(=O)Nc3cc(C(=O)[O-])cs3)c(C)nc2c1 ZINC000191375507 602283777 /nfs/dbraw/zinc/28/37/77/602283777.db2.gz GENPJWJUGMXWHG-UHFFFAOYSA-N -1 0 342.376 3.564 20 0 EHADRM CC(C)[C@H](CC(=O)N[C@@H](C)[C@H]1CCCN(C(=O)[O-])C1)c1ccccc1 ZINC000738773229 602293671 /nfs/dbraw/zinc/29/36/71/602293671.db2.gz IUVNQHUJWKWVNW-SZMVWBNQSA-N -1 0 346.471 3.711 20 0 EHADRM O=C([O-])c1ccc(NCc2nc(-c3ccc(Cl)cc3)no2)cc1F ZINC000833320811 602305639 /nfs/dbraw/zinc/30/56/39/602305639.db2.gz MXWKMLPFRJEPIO-UHFFFAOYSA-N -1 0 347.733 3.839 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N1CCc2cc(Cl)c(Cl)cc2[C@@H]1C ZINC000827264193 602328215 /nfs/dbraw/zinc/32/82/15/602328215.db2.gz XHMCRKUOZMOILS-IUCAKERBSA-N -1 0 330.211 3.550 20 0 EHADRM CCC[C@H](NC(=O)[O-])C(=O)N(Cc1ccsc1)c1ccccc1 ZINC000739303610 602339379 /nfs/dbraw/zinc/33/93/79/602339379.db2.gz BZNRSJFRECTKLP-HNNXBMFYSA-N -1 0 332.425 3.718 20 0 EHADRM CC(C)c1ccc([C@@H](C)NC(=O)C2CCC(NC(=O)[O-])CC2)cc1 ZINC000738876137 602341547 /nfs/dbraw/zinc/34/15/47/602341547.db2.gz JKIWZJQXYHKAJA-NVPAJSRCSA-N -1 0 332.444 3.814 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)N2CCC(OC(C)(C)C)CC2)cc1 ZINC000830514213 602352102 /nfs/dbraw/zinc/35/21/02/602352102.db2.gz OXXOYLCQPAMSRE-UHFFFAOYSA-N -1 0 349.431 3.612 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)cc1F ZINC000776645893 602353810 /nfs/dbraw/zinc/35/38/10/602353810.db2.gz CWTSONCQOSNVBV-OXQOHEQNSA-N -1 0 339.366 3.757 20 0 EHADRM Cc1cccc(C)c1OCCC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000325931552 602356215 /nfs/dbraw/zinc/35/62/15/602356215.db2.gz VWNMVYZRFNVOAE-UHFFFAOYSA-N -1 0 331.343 3.548 20 0 EHADRM Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000767207453 602356353 /nfs/dbraw/zinc/35/63/53/602356353.db2.gz UOELVSWKGPOIGW-UHFFFAOYSA-N -1 0 345.370 3.973 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1F ZINC000833154139 602369606 /nfs/dbraw/zinc/36/96/06/602369606.db2.gz RITXJUUQCFSIAQ-RKDXNWHRSA-N -1 0 348.296 3.767 20 0 EHADRM Cc1ccc([C@H]2CCCCN2C(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1 ZINC000832929479 602372898 /nfs/dbraw/zinc/37/28/98/602372898.db2.gz NGDNOCBNQQPKMM-MRXNPFEDSA-N -1 0 341.411 3.791 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCCc3ccccc3C2)cc1F ZINC000392301299 602382724 /nfs/dbraw/zinc/38/27/24/602382724.db2.gz AHPCKZNZLFRGBB-UHFFFAOYSA-N -1 0 328.343 3.504 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1c(F)cccc1F ZINC000827670993 602389134 /nfs/dbraw/zinc/38/91/34/602389134.db2.gz APERWMQHHHWEJP-QMMMGPOBSA-N -1 0 338.285 3.685 20 0 EHADRM Cc1cccc(C2(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)CCC2)c1 ZINC000325749328 602394460 /nfs/dbraw/zinc/39/44/60/602394460.db2.gz SKSFKKHIYYWWSG-UHFFFAOYSA-N -1 0 327.355 3.893 20 0 EHADRM COc1ccccc1-c1noc(-c2ccc(F)c(NC(=O)[O-])c2)n1 ZINC000739954040 602405226 /nfs/dbraw/zinc/40/52/26/602405226.db2.gz LWHMNAYCNZPAMJ-UHFFFAOYSA-N -1 0 329.287 3.641 20 0 EHADRM CC(C)c1ccccc1NC(=O)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000738875174 602408363 /nfs/dbraw/zinc/40/83/63/602408363.db2.gz BNMQFYKCNUXDDA-UHFFFAOYSA-N -1 0 333.432 3.664 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(-c2cc3c(cccc3F)[nH]2)n1 ZINC000738814116 602409482 /nfs/dbraw/zinc/40/94/82/602409482.db2.gz ABNBIJIJGUJGRY-GFCCVEGCSA-N -1 0 332.335 3.712 20 0 EHADRM COc1ccc(/C=C\c2nc([C@H](CC(C)C)NC(=O)[O-])no2)cc1 ZINC000739895699 602410019 /nfs/dbraw/zinc/41/00/19/602410019.db2.gz YHLUPMQBCDDLJE-PIZKADEWSA-N -1 0 331.372 3.603 20 0 EHADRM COc1cccc([C@@H]2C[C@@H]2c2nc([C@@H](CC(C)C)NC(=O)[O-])no2)c1 ZINC000739950683 602410705 /nfs/dbraw/zinc/41/07/05/602410705.db2.gz PNVURBNUXUTBSH-SOUVJXGZSA-N -1 0 345.399 3.704 20 0 EHADRM O=C([O-])NC1(c2noc([C@@H]3C[C@H]3c3ccc(F)c(F)c3)n2)CCCC1 ZINC000740547763 602413642 /nfs/dbraw/zinc/41/36/42/602413642.db2.gz BPBCTMZATODXFQ-WDEREUQCSA-N -1 0 349.337 3.656 20 0 EHADRM C[C@@H](Oc1cccc(Cl)c1)c1nc(C2(NC(=O)[O-])CCC2)no1 ZINC000739056193 602416669 /nfs/dbraw/zinc/41/66/69/602416669.db2.gz RDTMQNAFIUHZDC-SECBINFHSA-N -1 0 337.763 3.510 20 0 EHADRM C[C@@H](Oc1ccccc1Cl)c1nc(C2(NC(=O)[O-])CCC2)no1 ZINC000739056320 602417130 /nfs/dbraw/zinc/41/71/30/602417130.db2.gz SBKYIGDIXVRTMH-SECBINFHSA-N -1 0 337.763 3.510 20 0 EHADRM CC(C)(C)CN(CC(F)(F)F)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736248593 602448115 /nfs/dbraw/zinc/44/81/15/602448115.db2.gz LCTLGFJAVDOBKM-UHFFFAOYSA-N -1 0 332.322 3.827 20 0 EHADRM CC(C)N(Cc1ccco1)C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000738853787 602466764 /nfs/dbraw/zinc/46/67/64/602466764.db2.gz VCIOKZAHHYKANP-QGZVFWFLSA-N -1 0 344.411 3.806 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)N1CCC[C@@H]1C1CCC1)c1ccccc1 ZINC000740537413 602474557 /nfs/dbraw/zinc/47/45/57/602474557.db2.gz KOPKDACDJWILQI-DLBZAZTESA-N -1 0 330.428 3.567 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccc1F ZINC000740697295 602481301 /nfs/dbraw/zinc/48/13/01/602481301.db2.gz IFRDLFQJQGIDQT-UHFFFAOYSA-N -1 0 326.686 3.960 20 0 EHADRM CC(C)c1cccc(NC(=S)N2CCC(N(C)C(=O)[O-])CC2)c1 ZINC000737646178 602483062 /nfs/dbraw/zinc/48/30/62/602483062.db2.gz BHDAZIXDQOAWTC-UHFFFAOYSA-N -1 0 335.473 3.581 20 0 EHADRM CCOc1cccc([C@@H](C)NC(=O)c2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000739502904 602486820 /nfs/dbraw/zinc/48/68/20/602486820.db2.gz DWIBVKAWAMPJMV-LLVKDONJSA-N -1 0 346.358 3.805 20 0 EHADRM C[C@H](C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2)c1ccccc1F ZINC000738633057 602486893 /nfs/dbraw/zinc/48/68/93/602486893.db2.gz VMEVHNBENZRYHU-LBPRGKRZSA-N -1 0 342.370 3.604 20 0 EHADRM CC(C)(NC(=O)c1ccc(F)c(NC(=O)[O-])c1)c1ccc(F)cc1 ZINC000738758500 602488245 /nfs/dbraw/zinc/48/82/45/602488245.db2.gz XGGYNXPSIIWVOR-UHFFFAOYSA-N -1 0 334.322 3.720 20 0 EHADRM Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(F)c(NC(=O)[O-])c1)CC2 ZINC000740152066 602488654 /nfs/dbraw/zinc/48/86/54/602488654.db2.gz BKPBSGOACQMVEL-OAHLLOKOSA-N -1 0 328.343 3.641 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2ccc(NC(=O)[O-])cc2)cc1C ZINC000740102229 602500764 /nfs/dbraw/zinc/50/07/64/602500764.db2.gz BAASUIGONHBGJP-UHFFFAOYSA-N -1 0 340.379 3.995 20 0 EHADRM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739051732 602501965 /nfs/dbraw/zinc/50/19/65/602501965.db2.gz AKCJWFDJKWFWPA-SNVBAGLBSA-N -1 0 334.759 3.836 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)CCOc2cccc(Cl)c2)cc1 ZINC000740709370 602503016 /nfs/dbraw/zinc/50/30/16/602503016.db2.gz ZWUHSOHJCPTMAQ-UHFFFAOYSA-N -1 0 334.759 3.838 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)Cc2cccc(Br)c2)cc1 ZINC000740709906 602504790 /nfs/dbraw/zinc/50/47/90/602504790.db2.gz VAOLIUHBTPUOCJ-UHFFFAOYSA-N -1 0 349.184 3.720 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2cccc(CNC(=O)[O-])c2)o1 ZINC000739078990 602516976 /nfs/dbraw/zinc/51/69/76/602516976.db2.gz BQSHRTZMSOAUFD-BLLLJJGKSA-N -1 0 342.395 3.742 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CCCc3sccc3C2)ccc1F ZINC000740695218 602517810 /nfs/dbraw/zinc/51/78/10/602517810.db2.gz FJNKFSMHWBHTAG-UHFFFAOYSA-N -1 0 334.372 3.566 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000740027167 602522369 /nfs/dbraw/zinc/52/23/69/602522369.db2.gz MZPIJVLZTDJCGF-CQSZACIVSA-N -1 0 328.343 3.545 20 0 EHADRM CCC[C@@H](NC(=O)N1CCC(N(C)C(=O)[O-])CC1)C1CCCCC1 ZINC000737802453 602562975 /nfs/dbraw/zinc/56/29/75/602562975.db2.gz WEBGXNKSCSHLCR-MRXNPFEDSA-N -1 0 339.480 3.519 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)c(C)c1 ZINC000740141806 602579897 /nfs/dbraw/zinc/57/98/97/602579897.db2.gz RTIXYOFOFVNSGU-DOTOQJQBSA-N -1 0 345.443 3.690 20 0 EHADRM Cc1cc(SC(C)(C)C)ccc1NC(=O)NCCN(C)C(=O)[O-] ZINC000740092751 602595220 /nfs/dbraw/zinc/59/52/20/602595220.db2.gz DEVSWJQSQCAHFO-UHFFFAOYSA-N -1 0 339.461 3.617 20 0 EHADRM CCN(C(=O)Nc1ccc(OC)c(NC(=O)[O-])c1)C1CCCCC1 ZINC000739380126 602599294 /nfs/dbraw/zinc/59/92/94/602599294.db2.gz GWOCLEJPDPAVCS-UHFFFAOYSA-N -1 0 335.404 3.972 20 0 EHADRM Cc1ccc(OC[C@@H](C)NC(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000740149379 602601118 /nfs/dbraw/zinc/60/11/18/602601118.db2.gz ZDXARAYFRDQDSX-CYBMUJFWSA-N -1 0 343.383 3.674 20 0 EHADRM CN(CCCOc1ccccc1)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739685040 602602428 /nfs/dbraw/zinc/60/24/28/602602428.db2.gz QDSMEKCCCRCODD-UHFFFAOYSA-N -1 0 343.383 3.709 20 0 EHADRM O=C([O-])Nc1ccc(NS(=O)(=O)C2=Cc3ccccc3CC2)cc1 ZINC000740713196 602646785 /nfs/dbraw/zinc/64/67/85/602646785.db2.gz NYFYSXVWBZBKRN-UHFFFAOYSA-N -1 0 344.392 3.506 20 0 EHADRM C[C@H]1CC[C@H](NC(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])CC1 ZINC000740028545 602654734 /nfs/dbraw/zinc/65/47/34/602654734.db2.gz SLPHAGRZUMMJTO-MQMHXKEQSA-N -1 0 331.416 3.817 20 0 EHADRM COc1ccc(NC(=O)[C@@H](C)Cc2ccccc2)cc1NC(=O)[O-] ZINC000739917880 602656931 /nfs/dbraw/zinc/65/69/31/602656931.db2.gz YKDJUQJUQLLEIB-LBPRGKRZSA-N -1 0 328.368 3.602 20 0 EHADRM CC(=O)Nc1cc(Cl)ccc1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000736157585 602673320 /nfs/dbraw/zinc/67/33/20/602673320.db2.gz JURIUGFARJQTJD-UHFFFAOYSA-N -1 0 347.758 3.641 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2CCC[C@@H](Cc3ccccc3)C2)c1 ZINC000740027402 602676213 /nfs/dbraw/zinc/67/62/13/602676213.db2.gz SEMXVDGSLJXOHM-INIZCTEOSA-N -1 0 338.407 3.871 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2nc(-c3ccsc3)ns2)c1 ZINC000740037908 602695984 /nfs/dbraw/zinc/69/59/84/602695984.db2.gz YTSASAUGBKVDLG-UHFFFAOYSA-N -1 0 346.393 3.609 20 0 EHADRM CC(C)N(C)c1cccc(NC(=O)c2ccc(CNC(=O)[O-])cc2)c1 ZINC000738835518 602713818 /nfs/dbraw/zinc/71/38/18/602713818.db2.gz ASMPESCVBAQONV-UHFFFAOYSA-N -1 0 341.411 3.551 20 0 EHADRM CC(C)CC(CC(C)C)NC(=O)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000738802312 602714027 /nfs/dbraw/zinc/71/40/27/602714027.db2.gz CRFVMZRJGHQPJL-AWEZNQCLSA-N -1 0 341.496 3.525 20 0 EHADRM CC[C@@H](C)c1ccc(OC(=O)c2csc(CNC(=O)[O-])n2)cc1 ZINC000739250349 602727995 /nfs/dbraw/zinc/72/79/95/602727995.db2.gz SDBZICLHNUTGHI-SNVBAGLBSA-N -1 0 334.397 3.643 20 0 EHADRM C[C@@H](NC(=O)c1cc2ccccc2cc1NC(=O)[O-])c1cccnc1 ZINC000739028320 602775144 /nfs/dbraw/zinc/77/51/44/602775144.db2.gz VMQUKMUIHMMWBP-GFCCVEGCSA-N -1 0 335.363 3.816 20 0 EHADRM CC(C)(CCC(=O)N(Cc1ccc(Cl)cc1)C1CC1)NC(=O)[O-] ZINC000738740324 602789173 /nfs/dbraw/zinc/78/91/73/602789173.db2.gz SLIXNLUNFVJEGE-UHFFFAOYSA-N -1 0 338.835 3.657 20 0 EHADRM CCN(Cc1ccccc1Cl)C(=O)CCC(C)(C)NC(=O)[O-] ZINC000739441800 602789904 /nfs/dbraw/zinc/78/99/04/602789904.db2.gz BYHABDCILRYYTC-UHFFFAOYSA-N -1 0 326.824 3.515 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CN(C(=O)CCC(C)(C)NC(=O)[O-])C2CC2)o1 ZINC000739089267 602790802 /nfs/dbraw/zinc/79/08/02/602790802.db2.gz YSCAQFVYTHFZHH-WFASDCNBSA-N -1 0 348.443 3.720 20 0 EHADRM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)CCC(C)(C)NC(=O)[O-])C1 ZINC000740182383 602810975 /nfs/dbraw/zinc/81/09/75/602810975.db2.gz VFYGTMGJVAYALR-CABCVRRESA-N -1 0 332.444 3.526 20 0 EHADRM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1C(=O)CC/C=C/c1ccccc1 ZINC000739000620 602811577 /nfs/dbraw/zinc/81/15/77/602811577.db2.gz ZUGAXPARIZWZBW-KVYIFCTOSA-N -1 0 330.428 3.517 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)Nc2ccccc2CC(F)(F)F)C1 ZINC000740565591 602811680 /nfs/dbraw/zinc/81/16/80/602811680.db2.gz OKKIWGOHRLIWQT-CMPLNLGQSA-N -1 0 344.333 3.556 20 0 EHADRM CC[C@@H]1CN(C(=O)c2ccc(F)c(NC(=O)[O-])c2)c2ccccc2O1 ZINC000739278223 602813252 /nfs/dbraw/zinc/81/32/52/602813252.db2.gz JQDDMEPMZHQSQF-GFCCVEGCSA-N -1 0 344.342 3.733 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)NC2CCN(C(=O)[O-])CC2)cc1 ZINC000736512615 602822876 /nfs/dbraw/zinc/82/28/76/602822876.db2.gz KATYZUCNNKGRFR-AWEZNQCLSA-N -1 0 332.444 3.562 20 0 EHADRM CC(C)(CCC(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1)NC(=O)[O-] ZINC000738743412 602827823 /nfs/dbraw/zinc/82/78/23/602827823.db2.gz JKYQXAKIEPUVHB-UHFFFAOYSA-N -1 0 344.415 3.595 20 0 EHADRM Cc1ccccc1-n1nccc1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000738755600 602845064 /nfs/dbraw/zinc/84/50/64/602845064.db2.gz ZKRDVVKBTHTPOX-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM CCC[C@@H](CC1CCCCC1)C(=O)N1CCC[C@@H](CNC(=O)[O-])C1 ZINC000739305100 602845624 /nfs/dbraw/zinc/84/56/24/602845624.db2.gz LKOLRHNUTSFENJ-IRXDYDNUSA-N -1 0 338.492 3.879 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCC(c3ccccc3)CC2)c(O)c1 ZINC000740699252 602846419 /nfs/dbraw/zinc/84/64/19/602846419.db2.gz HIERWQNDQMEKOE-UHFFFAOYSA-N -1 0 340.379 3.502 20 0 EHADRM CCOc1ccc(CNC(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1F ZINC000827432962 602870180 /nfs/dbraw/zinc/87/01/80/602870180.db2.gz FLKNDNJPRYBILF-UHFFFAOYSA-N -1 0 346.358 3.553 20 0 EHADRM COc1cc(NC(=O)N2CCC3(CCCC3)CC2)ccc1NC(=O)[O-] ZINC000739865745 602898688 /nfs/dbraw/zinc/89/86/88/602898688.db2.gz HWIPCGKSFJUHOA-UHFFFAOYSA-N -1 0 347.415 3.973 20 0 EHADRM C[C@@H](CC(=O)N(Cc1ccco1)c1cccc(Cl)c1)NC(=O)[O-] ZINC000824564250 602903162 /nfs/dbraw/zinc/90/31/62/602903162.db2.gz GZQBJTMQSXXDQW-NSHDSACASA-N -1 0 336.775 3.512 20 0 EHADRM CCS[C@@H]1CCCCN(C(=O)c2ccc(C)c(NC(=O)[O-])c2)C1 ZINC000827505081 602917039 /nfs/dbraw/zinc/91/70/39/602917039.db2.gz ZSBZJPDZRICMDN-CQSZACIVSA-N -1 0 336.457 3.833 20 0 EHADRM C[C@H](CC(=O)OC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1cccc(F)c1 ZINC000738891383 602948338 /nfs/dbraw/zinc/94/83/38/602948338.db2.gz NPKRVZNHTAGJRJ-YGOACVGDSA-N -1 0 335.375 3.536 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(C[C@@H](C)c2cccc(F)c2)n1 ZINC000738817381 602949559 /nfs/dbraw/zinc/94/95/59/602949559.db2.gz QPKKYUJEDUJESA-RISCZKNCSA-N -1 0 335.379 3.910 20 0 EHADRM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)CC(C)(C)NC(=O)[O-] ZINC000739055587 602949852 /nfs/dbraw/zinc/94/98/52/602949852.db2.gz GEEJZUDPIAYBIB-JTQLQIEISA-N -1 0 346.349 3.661 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@H]1C(=O)Nc1ccc(-c2ccccc2)cc1F ZINC000740571484 602952309 /nfs/dbraw/zinc/95/23/09/602952309.db2.gz PIJHIHJYYHAUDB-ZBFHGGJFSA-N -1 0 342.370 3.868 20 0 EHADRM C[C@H](C(=O)NC(C)(C)c1cccs1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823676763 602955547 /nfs/dbraw/zinc/95/55/47/602955547.db2.gz GMBAMTSLSXURNC-SWLSCSKDSA-N -1 0 346.452 3.744 20 0 EHADRM COc1ccc(C2(C(=O)Oc3ccc(NC(=O)[O-])cc3)CCC2)cc1 ZINC000738092446 602962097 /nfs/dbraw/zinc/96/20/97/602962097.db2.gz JFEVGWJURTZJRJ-UHFFFAOYSA-N -1 0 341.363 3.812 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)c2cnc(-c3ccccn3)s2)cc1 ZINC000738670119 602964269 /nfs/dbraw/zinc/96/42/69/602964269.db2.gz YTSYPEFGJHKUDU-UHFFFAOYSA-N -1 0 341.348 3.514 20 0 EHADRM CC[C@@H](c1ccncc1)N(C)C(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000826639164 602971298 /nfs/dbraw/zinc/97/12/98/602971298.db2.gz KRNZJMBYPSRALW-INIZCTEOSA-N -1 0 327.384 3.703 20 0 EHADRM Cc1cccc([C@@H](C)C(=O)Nc2ccccc2CN(C)C(=O)[O-])c1 ZINC000740156897 602973423 /nfs/dbraw/zinc/97/34/23/602973423.db2.gz FDRHZHXFISMMTN-CQSZACIVSA-N -1 0 326.396 3.847 20 0 EHADRM Cc1ccc(C(=O)N2CCc3cc(F)ccc3[C@H]2C)cc1NC(=O)[O-] ZINC000830198734 602973770 /nfs/dbraw/zinc/97/37/70/602973770.db2.gz NISPULMMDLAAFV-GFCCVEGCSA-N -1 0 342.370 3.984 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@@H]1C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000740568108 602975294 /nfs/dbraw/zinc/97/52/94/602975294.db2.gz ISVSGRRVDSYIBH-RYUDHWBXSA-N -1 0 345.424 3.549 20 0 EHADRM O=C([O-])N1CCC[C@@H]1CC(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000831340585 602985768 /nfs/dbraw/zinc/98/57/68/602985768.db2.gz XXJVLAFRBYPYSM-QGZVFWFLSA-N -1 0 345.443 3.538 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(-c2cc(-c3cccs3)[nH]n2)n1 ZINC000738818493 603000711 /nfs/dbraw/zinc/00/07/11/603000711.db2.gz YLJQIMZCTRUNAC-SNVBAGLBSA-N -1 0 347.400 3.543 20 0 EHADRM CC[C@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccc(C)cc1 ZINC000739249650 603004685 /nfs/dbraw/zinc/00/46/85/603004685.db2.gz NLEADJURSPJVJH-CCNLRDMRSA-N -1 0 344.455 3.668 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc(-c2cnc(-c3ccccc3)s2)n1 ZINC000738907255 603006806 /nfs/dbraw/zinc/00/68/06/603006806.db2.gz KNXPZZWRYYTVCL-SNVBAGLBSA-N -1 0 344.396 3.573 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)C[C@@H]2CCOc3ccccc32)cc1 ZINC000738664988 603007094 /nfs/dbraw/zinc/00/70/94/603007094.db2.gz IZMFEZMGAMMWIH-LBPRGKRZSA-N -1 0 326.352 3.671 20 0 EHADRM Cc1cccc(C)c1NC(=O)CNc1cc(NC(=O)[O-])ccc1F ZINC000740166486 603020273 /nfs/dbraw/zinc/02/02/73/603020273.db2.gz LGIFKWJHEHXKIM-UHFFFAOYSA-N -1 0 331.347 3.583 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc([C@@H](C)SCc2ccccc2)n1 ZINC000738908811 603021114 /nfs/dbraw/zinc/02/11/14/603021114.db2.gz OSISCZOSFHEWRI-VXGBXAGGSA-N -1 0 335.429 3.777 20 0 EHADRM CC(C)N(CCC(=O)Nc1ccc(Oc2ccccn2)cc1)C(=O)[O-] ZINC000738843133 603032151 /nfs/dbraw/zinc/03/21/51/603032151.db2.gz FMQALOOXBXBMTP-UHFFFAOYSA-N -1 0 343.383 3.591 20 0 EHADRM O=C([O-])N[C@@H](CNC(=O)c1cc2sccc2s1)c1ccccc1 ZINC000740534334 603033658 /nfs/dbraw/zinc/03/36/58/603033658.db2.gz LDJOVWUURKNLMV-NSHDSACASA-N -1 0 346.433 3.702 20 0 EHADRM C[C@H](c1cccc(O)c1)N(C)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739059381 603037395 /nfs/dbraw/zinc/03/73/95/603037395.db2.gz ONSLCJAJJWPUAX-SNVBAGLBSA-N -1 0 347.346 3.846 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)c2ccc3ncsc3c2)cc1 ZINC000827914185 603037537 /nfs/dbraw/zinc/03/75/37/603037537.db2.gz GUJPNIFJKGSMCD-UHFFFAOYSA-N -1 0 328.349 3.630 20 0 EHADRM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)C1 ZINC000739080083 603038686 /nfs/dbraw/zinc/03/86/86/603038686.db2.gz BLTQWXDLURXDSE-JWZBEHFJSA-N -1 0 348.418 3.562 20 0 EHADRM Cc1cccc(OCCC(=O)Oc2ccc(N(C)C(=O)[O-])cc2)c1C ZINC000830528289 603046973 /nfs/dbraw/zinc/04/69/73/603046973.db2.gz VGUQOKLSWPAELL-UHFFFAOYSA-N -1 0 343.379 3.792 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)CCCOc2ccccc2F)cc1 ZINC000827908746 603051401 /nfs/dbraw/zinc/05/14/01/603051401.db2.gz QUCWTRUBUMMQRU-UHFFFAOYSA-N -1 0 347.342 3.705 20 0 EHADRM CN(Cc1ccccc1NC(=O)[C@@H]1CSc2ccccc21)C(=O)[O-] ZINC000739714777 603053829 /nfs/dbraw/zinc/05/38/29/603053829.db2.gz QNNMZDXHRRQYEQ-CQSZACIVSA-N -1 0 342.420 3.624 20 0 EHADRM Cc1c(Cl)cccc1NC(=O)[C@@H](CNC(=O)[O-])c1ccccc1 ZINC000740054080 603078435 /nfs/dbraw/zinc/07/84/35/603078435.db2.gz UGYQFOMMBPSLSJ-ZDUSSCGKSA-N -1 0 332.787 3.638 20 0 EHADRM CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000739296763 603080553 /nfs/dbraw/zinc/08/05/53/603080553.db2.gz BCQFDKIJJCWOAG-LJQANCHMSA-N -1 0 348.443 3.911 20 0 EHADRM CC(C)[C@H](C)N(CC(F)(F)F)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736352270 603100379 /nfs/dbraw/zinc/10/03/79/603100379.db2.gz AUYCFGUXLFUZEX-JTQLQIEISA-N -1 0 332.322 3.826 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NCC(=O)NC2CCCCCCC2)cc1 ZINC000739018047 603103889 /nfs/dbraw/zinc/10/38/89/603103889.db2.gz WJGBVJVEVCXYHY-AWEZNQCLSA-N -1 0 347.459 3.656 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1ccc(NC(=O)[O-])cc1)c1nccs1 ZINC000736861853 603138515 /nfs/dbraw/zinc/13/85/15/603138515.db2.gz RZZICGIGXDOQGV-OAHLLOKOSA-N -1 0 334.401 3.680 20 0 EHADRM CCN(Cc1cccc(NC(=O)NCCc2cccs2)c1)C(=O)[O-] ZINC000739445820 603141504 /nfs/dbraw/zinc/14/15/04/603141504.db2.gz ILIRUQNCIIMXBS-UHFFFAOYSA-N -1 0 347.440 3.612 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)Nc2nc(-c3ccccc3)cs2)C1 ZINC000740561539 603149261 /nfs/dbraw/zinc/14/92/61/603149261.db2.gz DEFCOQDHEZOCNF-CHWSQXEVSA-N -1 0 345.424 3.575 20 0 EHADRM C[C@@H](Oc1ccc(NC(=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000825616713 603155240 /nfs/dbraw/zinc/15/52/40/603155240.db2.gz JAKSNHOGTJXZDB-SNVBAGLBSA-N -1 0 334.759 3.836 20 0 EHADRM Cc1ccc(-c2nnc(COc3ccc(NC(=O)[O-])cc3)o2)cc1 ZINC000738251136 603156544 /nfs/dbraw/zinc/15/65/44/603156544.db2.gz JXFNULKDORZHSE-UHFFFAOYSA-N -1 0 325.324 3.714 20 0 EHADRM O=C([O-])N1CCC(CC(=O)Nc2cc(-c3ccccc3)ns2)CC1 ZINC000740352503 603157735 /nfs/dbraw/zinc/15/77/35/603157735.db2.gz ZRYCPADCTLEGGM-UHFFFAOYSA-N -1 0 345.424 3.529 20 0 EHADRM CC(C)c1ccccc1NC(=O)COc1ccc(N(C)C(=O)[O-])cc1 ZINC000824476567 603159090 /nfs/dbraw/zinc/15/90/90/603159090.db2.gz NPFIYXXETPSYAZ-UHFFFAOYSA-N -1 0 342.395 3.942 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)Nc2ccccc2OC2CCCC2)C1 ZINC000740570322 603175563 /nfs/dbraw/zinc/17/55/63/603175563.db2.gz XNZYZMJORVNRRN-ZIAGYGMSSA-N -1 0 346.427 3.773 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)CNc2ccccc2Cl)cc1 ZINC000825423513 603177197 /nfs/dbraw/zinc/17/71/97/603177197.db2.gz QHKFNVOGOSSAMG-NSHDSACASA-N -1 0 347.802 3.719 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)CO[C@@H]2CCCC[C@H]2C)cc1 ZINC000825423392 603177541 /nfs/dbraw/zinc/17/75/41/603177541.db2.gz PXIVXSKKXQUUTE-DVOMOZLQSA-N -1 0 334.416 3.549 20 0 EHADRM CCc1ccsc1C(=O)Nc1cccc2c1CCN(C(=O)[O-])C2 ZINC000739551763 603179143 /nfs/dbraw/zinc/17/91/43/603179143.db2.gz ZAOIHEQUDULORP-UHFFFAOYSA-N -1 0 330.409 3.599 20 0 EHADRM Cc1ccc(CN(C(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)C(C)C)s1 ZINC000740122626 603181904 /nfs/dbraw/zinc/18/19/04/603181904.db2.gz QTHWFAABUIPUQG-UONOGXRCSA-N -1 0 338.473 3.620 20 0 EHADRM CCc1ccc(CC(=O)Nc2ccccc2CN(C)C(=O)[O-])cc1 ZINC000739545065 603184552 /nfs/dbraw/zinc/18/45/52/603184552.db2.gz ZRKYGXBSOXYHGG-UHFFFAOYSA-N -1 0 326.396 3.540 20 0 EHADRM Cc1cccc(C)c1NCC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000830489417 603185674 /nfs/dbraw/zinc/18/56/74/603185674.db2.gz WYZPMXUXNDSOJD-CQSZACIVSA-N -1 0 341.411 3.683 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)c(Cl)n1 ZINC000830231178 603190752 /nfs/dbraw/zinc/19/07/52/603190752.db2.gz ZYBFXFKNIBJMJS-SNVBAGLBSA-N -1 0 333.775 3.624 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@H]2CCc3ccccc3C2)c(Cl)c1 ZINC000740700057 603205772 /nfs/dbraw/zinc/20/57/72/603205772.db2.gz ZPSYBWYXQWEBBR-ZDUSSCGKSA-N -1 0 344.798 3.717 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NCCc2cccc(F)c2)c(Cl)c1 ZINC000740697917 603208430 /nfs/dbraw/zinc/20/84/30/603208430.db2.gz LPUZVQDPTZAJIN-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM CCS[C@H]1CC[C@H](N(C)C(=O)c2ccc(C)c(NC(=O)[O-])c2)C1 ZINC000827494924 603209606 /nfs/dbraw/zinc/20/96/06/603209606.db2.gz FNPOHPCFGZOXEM-KBPBESRZSA-N -1 0 336.457 3.831 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000829173823 603213641 /nfs/dbraw/zinc/21/36/41/603213641.db2.gz MTRMRJHHCOYRAD-UWVGGRQHSA-N -1 0 340.807 3.557 20 0 EHADRM CC[C@](C)(NC(=O)c1ccc(NC(=O)[O-])cc1)c1nc(C)cs1 ZINC000736860942 603221197 /nfs/dbraw/zinc/22/11/97/603221197.db2.gz FHWYAODZAQJTAS-INIZCTEOSA-N -1 0 333.413 3.597 20 0 EHADRM Cc1ccccc1OCCNC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000740192091 603228180 /nfs/dbraw/zinc/22/81/80/603228180.db2.gz WCJQBBMNKNGRDE-UHFFFAOYSA-N -1 0 348.786 3.547 20 0 EHADRM C[C@@H](C(=O)N[C@@H](C)c1cccs1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000825067001 603236624 /nfs/dbraw/zinc/23/66/24/603236624.db2.gz QSIPTWWSMYGXAB-TYNCELHUSA-N -1 0 332.425 3.570 20 0 EHADRM O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)Nc1ccc3ccccc3c1)C2 ZINC000831778785 603246136 /nfs/dbraw/zinc/24/61/36/603246136.db2.gz UPZKKVJGMQKBIG-ALOPSCKCSA-N -1 0 339.395 3.635 20 0 EHADRM O=C([O-])N1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000740340300 603249703 /nfs/dbraw/zinc/24/97/03/603249703.db2.gz GBZCUPTVHOBFQH-KSZLIROESA-N -1 0 348.487 3.584 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]1CN(C)C(=O)[O-] ZINC000830472624 603252900 /nfs/dbraw/zinc/25/29/00/603252900.db2.gz RFFGMCVJPVUACK-AWEZNQCLSA-N -1 0 333.432 3.725 20 0 EHADRM COc1cc(C)ccc1OC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000829101984 603253821 /nfs/dbraw/zinc/25/38/21/603253821.db2.gz PUDAZLNOFTWJPI-SUMWQHHRSA-N -1 0 343.379 3.554 20 0 EHADRM CC[C@@H](NC(=O)Cc1ccc(NC(=O)[O-])cc1)c1cc(F)ccc1F ZINC000739261570 603258847 /nfs/dbraw/zinc/25/88/47/603258847.db2.gz DLCUGBFYGLYLTA-MRXNPFEDSA-N -1 0 348.349 3.865 20 0 EHADRM O=C([O-])N1CCC(CC(=O)N(Cc2ccoc2)C2CCCCC2)CC1 ZINC000740496827 603278880 /nfs/dbraw/zinc/27/88/80/603278880.db2.gz MHCLNRZOQOBEJP-UHFFFAOYSA-N -1 0 348.443 3.721 20 0 EHADRM COc1ccc(NC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1F ZINC000829469838 603280685 /nfs/dbraw/zinc/28/06/85/603280685.db2.gz XEIWCMCMAXCLIY-SNVBAGLBSA-N -1 0 347.346 3.807 20 0 EHADRM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736759354 603293828 /nfs/dbraw/zinc/29/38/28/603293828.db2.gz IRSBITNPBPAEAO-WFASDCNBSA-N -1 0 342.370 3.934 20 0 EHADRM CC(C)C[C@H](C(=O)N1CCC(CN(C)C(=O)[O-])CC1)c1ccccc1 ZINC000738809266 603301522 /nfs/dbraw/zinc/30/15/22/603301522.db2.gz WYVJZKRMADSNRT-SFHVURJKSA-N -1 0 346.471 3.665 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)N[C@@H]3CC[C@H]4CCC[C@H]4C3)ccc21 ZINC000831773234 603303938 /nfs/dbraw/zinc/30/39/38/603303938.db2.gz TXJJBYZYYNFKSH-VNHYZAJKSA-N -1 0 343.427 3.817 20 0 EHADRM CC(C)C[C@H](C(=O)NC1CCC(NC(=O)[O-])CC1)c1ccccc1 ZINC000738803744 603319389 /nfs/dbraw/zinc/31/93/89/603319389.db2.gz GGBFQBXAHNNLRC-JCYILVPMSA-N -1 0 332.444 3.511 20 0 EHADRM Cc1cc(C)cc([C@@H](C)NC(=O)Nc2cccc(CNC(=O)[O-])c2)c1 ZINC000740063850 603321094 /nfs/dbraw/zinc/32/10/94/603321094.db2.gz LIJYBIJPGBQSNW-CQSZACIVSA-N -1 0 341.411 3.954 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 ZINC000832724725 603321255 /nfs/dbraw/zinc/32/12/55/603321255.db2.gz LWSRWVITXUFZAC-OFQRWUPVSA-N -1 0 331.416 3.545 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2cccc(CNC(=O)[O-])c2)c(C)c1 ZINC000740115529 603327446 /nfs/dbraw/zinc/32/74/46/603327446.db2.gz VZVMAUNXTQPZHX-AWEZNQCLSA-N -1 0 341.411 3.954 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)c1ccc(CNC(=O)[O-])o1)c1ccccc1 ZINC000823766330 603331142 /nfs/dbraw/zinc/33/11/42/603331142.db2.gz NBNCQPOCQFBBKT-OAHLLOKOSA-N -1 0 344.411 3.955 20 0 EHADRM C[C@@H]1CC[C@@H](NC(=O)Nc2ccccc2CN(C)C(=O)[O-])[C@H](C)C1 ZINC000739084081 603333662 /nfs/dbraw/zinc/33/36/62/603333662.db2.gz GZHPLAGAUQPQCP-UMVBOHGHSA-N -1 0 333.432 3.743 20 0 EHADRM C[C@H](C1CC1)N(C(=O)Nc1cccc(CN(C)C(=O)[O-])c1)C1CC1 ZINC000824545052 603336241 /nfs/dbraw/zinc/33/62/41/603336241.db2.gz UOJQCOYWVGQEJO-GFCCVEGCSA-N -1 0 331.416 3.591 20 0 EHADRM Cc1cccc(F)c1CNC(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000830505582 603337961 /nfs/dbraw/zinc/33/79/61/603337961.db2.gz KUWRLELHNRICNN-UHFFFAOYSA-N -1 0 345.374 3.566 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N[C@H]1CC[C@H](C)CC1)C(=O)[O-] ZINC000739442824 603354298 /nfs/dbraw/zinc/35/42/98/603354298.db2.gz MINXLUSEMLBMEH-CTYIDZIISA-N -1 0 333.432 3.887 20 0 EHADRM COC(=O)Nc1ccc(NC(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1 ZINC000828723343 603355830 /nfs/dbraw/zinc/35/58/30/603355830.db2.gz MFLGSOJNKLQBFT-UHFFFAOYSA-N -1 0 343.339 3.516 20 0 EHADRM C[C@H]1CN(C(=O)c2sccc2-c2ccccc2)CC[C@@H]1NC(=O)[O-] ZINC000739177583 603358111 /nfs/dbraw/zinc/35/81/11/603358111.db2.gz VRSXOCSZGCRBMF-WFASDCNBSA-N -1 0 344.436 3.533 20 0 EHADRM CCOc1ccccc1NC(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000739509985 603361624 /nfs/dbraw/zinc/36/16/24/603361624.db2.gz KRSITVHEZUYTKU-UHFFFAOYSA-N -1 0 343.383 3.839 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N[C@@H]2CCCc3occc32)cc1 ZINC000825426845 603379928 /nfs/dbraw/zinc/37/99/28/603379928.db2.gz KZEDWYZZSAEZHP-XHDPSFHLSA-N -1 0 343.383 3.807 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)NC/C=C\c2ccccc2)cc1 ZINC000825433540 603380491 /nfs/dbraw/zinc/38/04/91/603380491.db2.gz FMTYEXQQSYKGNU-BMWLXYDHSA-N -1 0 339.395 3.850 20 0 EHADRM CCCCc1nnc(NC(=O)c2ccc(C)c(NC(=O)[O-])c2)s1 ZINC000826852569 603384369 /nfs/dbraw/zinc/38/43/69/603384369.db2.gz BOZRJQFMVUXCOF-UHFFFAOYSA-N -1 0 334.401 3.531 20 0 EHADRM CCCCCc1nnc(NC(=O)c2ccc(C)c(NC(=O)[O-])c2)s1 ZINC000826826346 603384429 /nfs/dbraw/zinc/38/44/29/603384429.db2.gz ROQVMCUGRLFKJE-UHFFFAOYSA-N -1 0 348.428 3.921 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N2CC[C@@H](c3ccco3)C2)cc1 ZINC000825426655 603386207 /nfs/dbraw/zinc/38/62/07/603386207.db2.gz IAGAUQWQJLHEOL-GXTWGEPZSA-N -1 0 343.383 3.630 20 0 EHADRM Cc1cccc(OC[C@@H](C)NC(=O)c2ccc(C)c(NC(=O)[O-])c2)c1 ZINC000830528209 603392786 /nfs/dbraw/zinc/39/27/86/603392786.db2.gz UPPOGCCIEIMSCW-CQSZACIVSA-N -1 0 342.395 3.591 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)c1ccc(NC(=O)[O-])cc1)C(C)C ZINC000738322432 603392973 /nfs/dbraw/zinc/39/29/73/603392973.db2.gz SZJYSHGJCXHBEN-HNNXBMFYSA-N -1 0 327.384 3.607 20 0 EHADRM C[C@@H](C(=O)N1CCCN(C(=O)[O-])c2ccccc21)c1ccsc1 ZINC000738613623 603431616 /nfs/dbraw/zinc/43/16/16/603431616.db2.gz LALITHAMHRRRGZ-GFCCVEGCSA-N -1 0 330.409 3.773 20 0 EHADRM O=C([O-])N1CCCN(C(=O)c2cccc3ncccc32)c2ccccc21 ZINC000740515739 603432181 /nfs/dbraw/zinc/43/21/81/603432181.db2.gz CJHKTADJRXWNRE-UHFFFAOYSA-N -1 0 347.374 3.770 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)C/C=C\c2ccc(F)cc2)cc1 ZINC000832840787 603456808 /nfs/dbraw/zinc/45/68/08/603456808.db2.gz GVZMCGYLOCMMDO-UPHRSURJSA-N -1 0 342.370 3.678 20 0 EHADRM CCN(Cc1ccc2ccccc2c1)C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000827161472 603462283 /nfs/dbraw/zinc/46/22/83/603462283.db2.gz IJZUMFIVDXUBCX-ZWKOTPCHSA-N -1 0 340.423 3.625 20 0 EHADRM CCN(Cc1ccc2ccccc2c1)C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000827161470 603462343 /nfs/dbraw/zinc/46/23/43/603462343.db2.gz IJZUMFIVDXUBCX-QZTJIDSGSA-N -1 0 340.423 3.625 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000829867245 603518241 /nfs/dbraw/zinc/51/82/41/603518241.db2.gz KPEYQBVWEPISEZ-HNNXBMFYSA-N -1 0 348.443 3.781 20 0 EHADRM Cc1c(NC(=O)[C@@H](NC(=O)[O-])c2ccccc2)sc2c1CCCC2 ZINC000829885059 603634521 /nfs/dbraw/zinc/63/45/21/603634521.db2.gz YSKCKYNJZTZYMR-HNNXBMFYSA-N -1 0 344.436 3.883 20 0 EHADRM COCc1cccc(-c2nc(-c3cccc(NC(=O)[O-])c3)no2)c1 ZINC000829039720 603639520 /nfs/dbraw/zinc/63/95/20/603639520.db2.gz AVHHENMFUIAAPZ-UHFFFAOYSA-N -1 0 325.324 3.640 20 0 EHADRM O=C([O-])Nc1ccc(C(F)(F)F)cc1NC(=O)CCn1cccc1 ZINC000832839535 603668690 /nfs/dbraw/zinc/66/86/90/603668690.db2.gz ZCHIDFFISUUEFY-UHFFFAOYSA-N -1 0 341.289 3.626 20 0 EHADRM Cc1ccc2c(c1)N(C(=O)c1ccc(NC(=O)[O-])cc1)C[C@H](C)O2 ZINC000830447048 603679328 /nfs/dbraw/zinc/67/93/28/603679328.db2.gz ZNXDEGKYJNPQCP-LBPRGKRZSA-N -1 0 326.352 3.513 20 0 EHADRM CCN(CC1CCN(C(=O)c2sccc2C(C)C)CC1)C(=O)[O-] ZINC000827089037 603749889 /nfs/dbraw/zinc/74/98/89/603749889.db2.gz DXLNVWCUDNNNQL-UHFFFAOYSA-N -1 0 338.473 3.724 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)N[C@@H](C2CCCC2)C(F)(F)F)cc1 ZINC000832840502 603770205 /nfs/dbraw/zinc/77/02/05/603770205.db2.gz ITDUBKNONPZVDB-AWEZNQCLSA-N -1 0 344.333 3.556 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N[C@H](C2CCCC2)C(F)(F)F)ccc1F ZINC000832817795 603771866 /nfs/dbraw/zinc/77/18/66/603771866.db2.gz OTCLJVSQDFNGKV-GFCCVEGCSA-N -1 0 348.296 3.767 20 0 EHADRM CCCC[C@H](CC)CNC(=S)N(C)C1CCC(NC(=O)[O-])CC1 ZINC000826781278 603827580 /nfs/dbraw/zinc/82/75/80/603827580.db2.gz MRDYBCUPBXVWAR-NFOMZHRRSA-N -1 0 343.537 3.588 20 0 EHADRM CC(C)[C@@H](CCN(C)C(=S)Nc1ccc(Cl)cc1)NC(=O)[O-] ZINC000824097731 603829777 /nfs/dbraw/zinc/82/97/77/603829777.db2.gz AGCPGYLVHZXDPA-CYBMUJFWSA-N -1 0 343.880 3.651 20 0 EHADRM CC(C)[C@H](CCN(C)C(=S)Nc1cccc(Cl)c1)NC(=O)[O-] ZINC000824100326 603831142 /nfs/dbraw/zinc/83/11/42/603831142.db2.gz UOHDJMNQRFESRN-ZDUSSCGKSA-N -1 0 343.880 3.651 20 0 EHADRM CCN(Cc1ccc(C)cc1)C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000827156181 603834827 /nfs/dbraw/zinc/83/48/27/603834827.db2.gz CJKQBNFMUPEOIN-AYHJJNSGSA-N -1 0 344.455 3.655 20 0 EHADRM O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)Nc1ccc3ncsc3c1)C2 ZINC000831308963 603844461 /nfs/dbraw/zinc/84/44/61/603844461.db2.gz YYPQJHKPPNJJLU-VGPLMAKISA-N -1 0 345.424 3.546 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1 ZINC000828828815 603873793 /nfs/dbraw/zinc/87/37/93/603873793.db2.gz CEWDRIOZZOXTFL-KZWSWKJNSA-N -1 0 346.427 3.644 20 0 EHADRM Cc1ccc(CCC(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])o1 ZINC000830295891 603924739 /nfs/dbraw/zinc/92/47/39/603924739.db2.gz DXIHGPNARNKJJB-UHFFFAOYSA-N -1 0 328.368 3.590 20 0 EHADRM CC(C)(C(=O)Nc1cccc2c1CCN2C(=O)[O-])c1cccs1 ZINC000823743479 603944870 /nfs/dbraw/zinc/94/48/70/603944870.db2.gz HRNICYKQLFJOJH-UHFFFAOYSA-N -1 0 330.409 3.705 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000830710183 603955175 /nfs/dbraw/zinc/95/51/75/603955175.db2.gz ZYSQNYVGHMFPDF-UHFFFAOYSA-N -1 0 345.424 3.868 20 0 EHADRM C[C@H](NC(=O)Nc1cccc2c1CCN2C(=O)[O-])c1cccs1 ZINC000825171775 603979066 /nfs/dbraw/zinc/97/90/66/603979066.db2.gz NNBVAYHLSVSDBZ-JTQLQIEISA-N -1 0 331.397 3.671 20 0 EHADRM CCS[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000827504282 603987116 /nfs/dbraw/zinc/98/71/16/603987116.db2.gz SVXRMNHMHLVFLZ-DZGCQCFKSA-N -1 0 349.456 3.523 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)N(C3CC3)C3CCCC3)ccc21 ZINC000832079142 604012402 /nfs/dbraw/zinc/01/24/02/604012402.db2.gz FMURQJHFAWSXEA-UHFFFAOYSA-N -1 0 329.400 3.666 20 0 EHADRM C[C@@H]1CCN(C(=O)CCCCCCNC(=O)[O-])[C@@H](c2ccco2)C1 ZINC000825937050 604024862 /nfs/dbraw/zinc/02/48/62/604024862.db2.gz FXHFRWCRRKSCIK-HUUCEWRRSA-N -1 0 336.432 3.797 20 0 EHADRM Cc1ccccc1-c1cnc(CN2CCC([C@H](C)NC(=O)[O-])CC2)o1 ZINC000830546391 604055934 /nfs/dbraw/zinc/05/59/34/604055934.db2.gz SQYWYYFHXVFRTO-AWEZNQCLSA-N -1 0 343.427 3.518 20 0 EHADRM O=C([O-])NC1(CC(=O)Nc2ccccc2SC(F)F)CCC1 ZINC000832215593 604071402 /nfs/dbraw/zinc/07/14/02/604071402.db2.gz FRGJGZSLZDAHOH-UHFFFAOYSA-N -1 0 330.356 3.520 20 0 EHADRM CN(C(=O)Nc1cccc2c1CCCC2)C1CCC(NC(=O)[O-])CC1 ZINC000827810092 604119261 /nfs/dbraw/zinc/11/92/61/604119261.db2.gz NCTWEJAFCDWEFC-UHFFFAOYSA-N -1 0 345.443 3.608 20 0 EHADRM CN(Cc1ccccc1NC(=O)N1CCC[C@H]2CCC[C@@H]21)C(=O)[O-] ZINC000828400100 604137741 /nfs/dbraw/zinc/13/77/41/604137741.db2.gz PYDJLXFLZGLXDL-CJNGLKHVSA-N -1 0 331.416 3.593 20 0 EHADRM CN(Cc1cccc(NC(=O)N2CCC[C@H]3CCC[C@@H]32)c1)C(=O)[O-] ZINC000828375496 604137783 /nfs/dbraw/zinc/13/77/83/604137783.db2.gz JVGKCAAKESZWSM-ZBFHGGJFSA-N -1 0 331.416 3.593 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000832069611 604138624 /nfs/dbraw/zinc/13/86/24/604138624.db2.gz MXAGMCQWKHRDSX-DOMZBBRYSA-N -1 0 329.400 3.524 20 0 EHADRM Cc1csc(-c2ccc(NC(=O)CC3(NC(=O)[O-])CCC3)cc2)n1 ZINC000830655813 604139350 /nfs/dbraw/zinc/13/93/50/604139350.db2.gz XEMWNMMXTWVMAW-UHFFFAOYSA-N -1 0 345.424 3.637 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)N3C[C@@H]4CCCC[C@@H]4C3)ccc21 ZINC000831772700 604140440 /nfs/dbraw/zinc/14/04/40/604140440.db2.gz MSDAOPQSMVNVPA-GASCZTMLSA-N -1 0 343.427 3.771 20 0 EHADRM CC(C)(CCC(=O)Oc1ccc(-c2cscn2)cc1)NC(=O)[O-] ZINC000823895290 604212304 /nfs/dbraw/zinc/21/23/04/604212304.db2.gz VBPANCNWWNUUHU-UHFFFAOYSA-N -1 0 334.397 3.542 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@@](C)(c3ccccc3)C2)cc1NC(=O)[O-] ZINC000830186948 604246102 /nfs/dbraw/zinc/24/61/02/604246102.db2.gz MOGSUXJOYAXKON-HXUWFJFHSA-N -1 0 338.407 3.889 20 0 EHADRM C[C@@H](CC(=O)NCCc1ccc(NC(=O)[O-])cc1)c1cccc(F)c1 ZINC000736540950 604252613 /nfs/dbraw/zinc/25/26/13/604252613.db2.gz FCLBJDCRDSAGRB-ZDUSSCGKSA-N -1 0 344.386 3.768 20 0 EHADRM Cc1ccc(CCCC(=O)Nc2cccc(CNC(=O)[O-])c2)s1 ZINC000830295878 604253570 /nfs/dbraw/zinc/25/35/70/604253570.db2.gz DRTQMANNSXVBPP-UHFFFAOYSA-N -1 0 332.425 3.786 20 0 EHADRM Cc1ccc(CCCC(=O)NCCc2ccc(NC(=O)[O-])cc2)s1 ZINC000830297085 604254246 /nfs/dbraw/zinc/25/42/46/604254246.db2.gz WYMLNBFYZZPNGL-UHFFFAOYSA-N -1 0 346.452 3.828 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000832847481 604267857 /nfs/dbraw/zinc/26/78/57/604267857.db2.gz RCEXMKSUDXNMFE-UHFFFAOYSA-N -1 0 341.392 3.706 20 0 EHADRM CCC1(CC)[C@H](N(C)c2nc(Cl)c(C(=O)[O-])s2)C[C@@H]1OC ZINC000829056245 604276331 /nfs/dbraw/zinc/27/63/31/604276331.db2.gz UNPFQICBTPAPKC-BDAKNGLRSA-N -1 0 332.853 3.525 20 0 EHADRM Cc1cccc(-c2cncc(C(=O)NC3(C(=O)[O-])CCCCC3)c2)c1 ZINC000430350536 604287378 /nfs/dbraw/zinc/28/73/78/604287378.db2.gz HWGBHGQXQPRWEM-UHFFFAOYSA-N -1 0 338.407 3.574 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCC(C)(C)c1ccc(Cl)cc1 ZINC000832846743 604290529 /nfs/dbraw/zinc/29/05/29/604290529.db2.gz OVFRBYNDDTXDMV-UHFFFAOYSA-N -1 0 348.830 3.691 20 0 EHADRM C/C=C(/C=C\C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F)CC ZINC000828542830 604296828 /nfs/dbraw/zinc/29/68/28/604296828.db2.gz NTETZNXOBVMVFB-HLQKFELGSA-N -1 0 337.366 3.681 20 0 EHADRM C[C@H](CC(=O)N(C)[C@@H]1CCc2ccccc21)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824550473 604297498 /nfs/dbraw/zinc/29/74/98/604297498.db2.gz GOYHRRZAFJNKEA-UWWQBHOKSA-N -1 0 344.455 3.549 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000192870455 604300248 /nfs/dbraw/zinc/30/02/48/604300248.db2.gz GVHACWAHPJCWQX-LRDDRELGSA-N -1 0 331.799 3.840 20 0 EHADRM COc1ccc(C2(C(=O)Nc3cc(C(=O)[O-])cs3)CCCC2)cc1 ZINC000683331365 604313512 /nfs/dbraw/zinc/31/35/12/604313512.db2.gz YCVCHDFWDIFTOZ-UHFFFAOYSA-N -1 0 345.420 3.905 20 0 EHADRM CCc1cccc(C)c1NC(=O)C[C@@H](C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000827594232 604313988 /nfs/dbraw/zinc/31/39/88/604313988.db2.gz GUPHQKSBHATEAD-ZBFHGGJFSA-N -1 0 332.444 3.912 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)C[C@H](C)[C@@H]2CCCN(C(=O)[O-])C2)s1 ZINC000830251311 604317869 /nfs/dbraw/zinc/31/78/69/604317869.db2.gz OHICKMXDXIWVKR-FPMFFAJLSA-N -1 0 338.473 3.650 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(F)cc2OC(F)F)cc1F ZINC000833156482 604328139 /nfs/dbraw/zinc/32/81/39/604328139.db2.gz JFCNGOMLPGTFNH-UHFFFAOYSA-N -1 0 343.232 3.517 20 0 EHADRM O=C([O-])c1ccc(CN[C@H]2CCOc3c(Cl)c(Cl)ccc32)o1 ZINC000833314566 604331164 /nfs/dbraw/zinc/33/11/64/604331164.db2.gz MXNGYSMKUCDEGS-NSHDSACASA-N -1 0 342.178 3.898 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000832847468 604333383 /nfs/dbraw/zinc/33/33/83/604333383.db2.gz QPUJSMJIRFQMML-UHFFFAOYSA-N -1 0 339.351 3.601 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(C(=O)[O-])cc2F)n1 ZINC000821112226 604335091 /nfs/dbraw/zinc/33/50/91/604335091.db2.gz KNZMYSCDOCZVCA-INIZCTEOSA-N -1 0 343.358 3.596 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(C)c(C(=O)[O-])c2)n1 ZINC000832967525 604352770 /nfs/dbraw/zinc/35/27/70/604352770.db2.gz GSMLSCXLKAVDFM-KRWDZBQOSA-N -1 0 339.395 3.766 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1cc(F)ccc1F)c1ccccc1 ZINC000826103715 604381178 /nfs/dbraw/zinc/38/11/78/604381178.db2.gz UYNKJCADDLAHIT-OAHLLOKOSA-N -1 0 333.334 3.547 20 0 EHADRM CC(C)C[C@H](C)n1nccc1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000826763724 604386234 /nfs/dbraw/zinc/38/62/34/604386234.db2.gz GZYLAOVGRNUFQF-NSHDSACASA-N -1 0 333.363 3.580 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c(Cl)n1 ZINC000832911549 604387925 /nfs/dbraw/zinc/38/79/25/604387925.db2.gz PCKAUEMGODEWNL-AWEZNQCLSA-N -1 0 346.814 3.625 20 0 EHADRM C[C@H](CC(=O)N1Cc2ccccc2[C@@H]1C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824606459 604388290 /nfs/dbraw/zinc/38/82/90/604388290.db2.gz PXYVTEBRMAOXFP-ILXRZTDVSA-N -1 0 330.428 3.506 20 0 EHADRM O=C([O-])c1cccc(-c2nc(C[S@@](=O)c3cccs3)cs2)c1 ZINC000833326693 604398031 /nfs/dbraw/zinc/39/80/31/604398031.db2.gz UADUSHSWUYXZRH-JOCHJYFZSA-N -1 0 349.458 3.878 20 0 EHADRM Cc1coc(-c2ccc(C)c(NC(=O)CCN(C(=O)[O-])C(C)C)c2)n1 ZINC000830650677 604399549 /nfs/dbraw/zinc/39/95/49/604399549.db2.gz QQDORNGNBUZURK-UHFFFAOYSA-N -1 0 345.399 3.675 20 0 EHADRM O=Cc1cc(OCc2ccc(C(=O)[O-])cc2)ccc1Br ZINC000128647396 604405257 /nfs/dbraw/zinc/40/52/57/604405257.db2.gz BAGUVDREPKSIGG-UHFFFAOYSA-N -1 0 335.153 3.539 20 0 EHADRM C[C@@H](OC1CCCCCC1)c1nc(C2(NC(=O)[O-])CCCC2)no1 ZINC000825609564 604423579 /nfs/dbraw/zinc/42/35/79/604423579.db2.gz AMLAPJUXUJMFPU-GFCCVEGCSA-N -1 0 337.420 3.907 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cc(F)ccc1OC ZINC000829026170 604428969 /nfs/dbraw/zinc/42/89/69/604428969.db2.gz HIAAUSMLLQROFP-INIZCTEOSA-N -1 0 345.370 3.512 20 0 EHADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)C[C@@H](C)c1ccc(C(C)C)cc1 ZINC000827000687 604438626 /nfs/dbraw/zinc/43/86/26/604438626.db2.gz HYSAOADBAFMFGD-QAPCUYQASA-N -1 0 349.471 3.640 20 0 EHADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)C[C@@H](C)c1ccc(C(C)C)cc1 ZINC000827000685 604438769 /nfs/dbraw/zinc/43/87/69/604438769.db2.gz HYSAOADBAFMFGD-CRAIPNDOSA-N -1 0 349.471 3.640 20 0 EHADRM CCc1ccccc1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000191080537 604438928 /nfs/dbraw/zinc/43/89/28/604438928.db2.gz LFDTUBHHAMWDIE-UHFFFAOYSA-N -1 0 327.380 3.745 20 0 EHADRM C[C@H](Nc1ccc(NC(=O)C2(NC(=O)[O-])CC2)cc1)c1ccccc1 ZINC000825507297 604447846 /nfs/dbraw/zinc/44/78/46/604447846.db2.gz BPEQDZYRNWMQHB-ZDUSSCGKSA-N -1 0 339.395 3.598 20 0 EHADRM CCc1ccsc1C(=O)NCc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000827604649 604448114 /nfs/dbraw/zinc/44/81/14/604448114.db2.gz PXWXHVDJKJGGHA-NSHDSACASA-N -1 0 332.425 3.569 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)c2cccc(C(F)F)c2)cc1 ZINC000825397448 604448361 /nfs/dbraw/zinc/44/83/61/604448361.db2.gz LXVXERCEBHRHJL-LLVKDONJSA-N -1 0 348.349 3.883 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)CCCSC(C)(C)C)c1ccccc1 ZINC000833410995 604462962 /nfs/dbraw/zinc/46/29/62/604462962.db2.gz KGBOZOLTZFVYLY-CZUORRHYSA-N -1 0 337.485 3.877 20 0 EHADRM CC(C)Cc1ccc(CCCC(=O)N2CCC[C@@H]2CC(=O)[O-])cc1 ZINC000833494514 604465433 /nfs/dbraw/zinc/46/54/33/604465433.db2.gz RYDDOJJOQUVVJI-GOSISDBHSA-N -1 0 331.456 3.674 20 0 EHADRM CC(C)(C)O[C@H](C(=O)Oc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC000833446026 604469454 /nfs/dbraw/zinc/46/94/54/604469454.db2.gz MSEIRPSRKSYIDT-SFHVURJKSA-N -1 0 342.391 3.776 20 0 EHADRM O=C([O-])c1csc(NC(=O)NCCCSc2ccccc2)c1 ZINC000833139256 604484221 /nfs/dbraw/zinc/48/42/21/604484221.db2.gz KGFSIHYQZMBJSP-UHFFFAOYSA-N -1 0 336.438 3.750 20 0 EHADRM O=C([O-])c1csc(NC(=O)NCc2ccc3ccccc3c2)c1 ZINC000833145002 604498414 /nfs/dbraw/zinc/49/84/14/604498414.db2.gz LGUKMQWUOSHSPF-UHFFFAOYSA-N -1 0 326.377 3.921 20 0 EHADRM C[C@H](NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])C1CCCC1 ZINC000827660096 604500409 /nfs/dbraw/zinc/50/04/09/604500409.db2.gz WQTHUGGNOPPUCU-XJKSGUPXSA-N -1 0 332.444 3.716 20 0 EHADRM O=C([O-])c1csc(NC(=O)N2CCCCC[C@@H]2c2ccncc2)c1 ZINC000833343129 604501754 /nfs/dbraw/zinc/50/17/54/604501754.db2.gz XNKGSVBXJLKZEQ-CQSZACIVSA-N -1 0 345.424 3.991 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)NCC(C1CC1)C1CC1)c1ccccc1 ZINC000826095568 604504467 /nfs/dbraw/zinc/50/44/67/604504467.db2.gz LLUMVGWEZVPEQR-KRWDZBQOSA-N -1 0 344.455 3.574 20 0 EHADRM C[C@H](OCCCNC(=O)Nc1cc(C(=O)[O-])cs1)c1ccccc1 ZINC000827879119 604506458 /nfs/dbraw/zinc/50/64/58/604506458.db2.gz KHXBOSIIUAYULY-LBPRGKRZSA-N -1 0 348.424 3.736 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)N2CCC[C@H]2CC(=O)[O-])cc1 ZINC000830169728 604508012 /nfs/dbraw/zinc/50/80/12/604508012.db2.gz WRSIKYPFMVKPTF-JSGCOSHPSA-N -1 0 336.457 3.508 20 0 EHADRM CC(C)[C@@H](NC(=O)N1CCC[C@H]1CC(=O)[O-])c1ccccc1Cl ZINC000826700393 604519735 /nfs/dbraw/zinc/51/97/35/604519735.db2.gz SCZGVKKCZAWAHU-BLLLJJGKSA-N -1 0 338.835 3.686 20 0 EHADRM C[C@@H]1CN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C(C)(C)C1 ZINC000828347925 604520173 /nfs/dbraw/zinc/52/01/73/604520173.db2.gz GUOSSVFBJISMBH-ZFWWWQNUSA-N -1 0 332.444 3.669 20 0 EHADRM C[C@@H]1C[C@H](C)CN(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000828160821 604533730 /nfs/dbraw/zinc/53/37/30/604533730.db2.gz KLTRHGOGQQLVEN-IJEWVQPXSA-N -1 0 332.444 3.526 20 0 EHADRM Cc1cc([C@H](C)OC(=O)CCC(=O)c2ccc(C)cc2)oc1C(=O)[O-] ZINC000832911398 604540477 /nfs/dbraw/zinc/54/04/77/604540477.db2.gz MXBUGRNGSWXXBR-ZDUSSCGKSA-N -1 0 344.363 3.862 20 0 EHADRM CC(C)(C)c1cccc(OCCCOc2cccnc2C(=O)[O-])c1 ZINC000833449314 604548479 /nfs/dbraw/zinc/54/84/79/604548479.db2.gz HQNFPEFZZVQEBC-UHFFFAOYSA-N -1 0 329.396 3.925 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2ccc(C(F)(F)F)cn2)oc1C(=O)[O-] ZINC000832876789 604548830 /nfs/dbraw/zinc/54/88/30/604548830.db2.gz VELLAMONFLQXBX-QMMMGPOBSA-N -1 0 343.257 3.618 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2ccnc3ccccc32)oc1C(=O)[O-] ZINC000832875770 604551043 /nfs/dbraw/zinc/55/10/43/604551043.db2.gz OZGIEPMCDBEWHY-LLVKDONJSA-N -1 0 325.320 3.752 20 0 EHADRM Cc1cc([C@H](C)OC(=O)[C@@H]2Cc3ccccc3S2)oc1C(=O)[O-] ZINC000832873771 604552440 /nfs/dbraw/zinc/55/24/40/604552440.db2.gz HYMVCHIRTXEFHE-HZMBPMFUSA-N -1 0 332.377 3.607 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)CSc2ccc(F)cc2)oc1C(=O)[O-] ZINC000832870620 604556784 /nfs/dbraw/zinc/55/67/84/604556784.db2.gz ADUWXXUCXFLFBR-SNVBAGLBSA-N -1 0 338.356 3.822 20 0 EHADRM Cc1cncc(/C=C\C(=O)Nc2scc(C3CC3)c2C(=O)[O-])c1 ZINC000832986912 604557607 /nfs/dbraw/zinc/55/76/07/604557607.db2.gz REMGSSDVMBEEOJ-DJWKRKHSSA-N -1 0 328.393 3.679 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2cnc(Cl)c(Cl)c2)oc1C(=O)[O-] ZINC000832874164 604558829 /nfs/dbraw/zinc/55/88/29/604558829.db2.gz NFNWYBQGUFFFQG-ZETCQYMHSA-N -1 0 344.150 3.906 20 0 EHADRM Cc1cc([C@H](C)OC(=O)CCc2cccc(F)c2F)oc1C(=O)[O-] ZINC000832871728 604577333 /nfs/dbraw/zinc/57/73/33/604577333.db2.gz IXNOXCWRZNHRFW-JTQLQIEISA-N -1 0 338.306 3.801 20 0 EHADRM CC(C)[C@@H](OC(=O)CCCN(C)C(=O)[O-])c1ccc(F)c(F)c1 ZINC000833471408 604580865 /nfs/dbraw/zinc/58/08/65/604580865.db2.gz GIDABFQXDAMITC-OAHLLOKOSA-N -1 0 329.343 3.595 20 0 EHADRM COc1cccc([C@@H]2C[C@H]2C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)c1 ZINC000832539329 604583266 /nfs/dbraw/zinc/58/32/66/604583266.db2.gz BLCBZJUVXNXQHZ-BYCMXARLSA-N -1 0 344.363 3.703 20 0 EHADRM C[C@@H](C(=O)OCc1c2ccccc2sc1C(=O)[O-])C1CCOCC1 ZINC000833409648 604593157 /nfs/dbraw/zinc/59/31/57/604593157.db2.gz PCDGHSFKTQFLPI-LLVKDONJSA-N -1 0 348.420 3.705 20 0 EHADRM Cc1cc([C@H](C)OC(=O)[C@@H]2C[C@]23CCc2ccccc23)oc1C(=O)[O-] ZINC000832878959 604594250 /nfs/dbraw/zinc/59/42/50/604594250.db2.gz ZOFXYBBKECNNSI-LCMPSIMXSA-N -1 0 340.375 3.795 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)/C=C/SCc1ccco1 ZINC000830384393 604599422 /nfs/dbraw/zinc/59/94/22/604599422.db2.gz QBEICKLNUSVABK-FNORWQNLSA-N -1 0 336.365 3.624 20 0 EHADRM O=C([O-])[C@@H](OC(=O)/C=C\SCc1ccco1)c1ccc(F)cc1 ZINC000833093241 604601187 /nfs/dbraw/zinc/60/11/87/604601187.db2.gz WVZCTKPOXUIXCS-VIHMKRCTSA-N -1 0 336.340 3.535 20 0 EHADRM C[C@@H]1C[C@H](C)CN(C(=O)Nc2cccc(SCCC(=O)[O-])c2)C1 ZINC000833590301 604602243 /nfs/dbraw/zinc/60/22/43/604602243.db2.gz GJNYLGMMHWCGFD-BETUJISGSA-N -1 0 336.457 3.763 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000326720568 604624500 /nfs/dbraw/zinc/62/45/00/604624500.db2.gz YVLKKENRYBLCED-OAHLLOKOSA-N -1 0 340.379 3.950 20 0 EHADRM CS[C@@H]1CCCCN(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000832747944 604630802 /nfs/dbraw/zinc/63/08/02/604630802.db2.gz TYENPVCJLKNARI-LLVKDONJSA-N -1 0 342.848 3.788 20 0 EHADRM CCC(CC)n1nccc1C(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC000828874983 604640160 /nfs/dbraw/zinc/64/01/60/604640160.db2.gz YVPWVOGIEDBIEM-UHFFFAOYSA-N -1 0 341.411 3.535 20 0 EHADRM CN(C(=O)[O-])c1ccc(NCc2occc2Br)cc1 ZINC000830518889 604643441 /nfs/dbraw/zinc/64/34/41/604643441.db2.gz JPMKYHDXUOBGKF-UHFFFAOYSA-N -1 0 325.162 3.768 20 0 EHADRM O=C([O-])c1ncccc1OCc1coc(-c2cccc(Cl)c2)n1 ZINC000320565119 604645382 /nfs/dbraw/zinc/64/53/82/604645382.db2.gz UWXIRPAOZIYIEB-UHFFFAOYSA-N -1 0 330.727 3.667 20 0 EHADRM Cc1cc([C@@H](C)Sc2nncn2-c2ccccc2)oc1C(=O)[O-] ZINC000832872816 604682324 /nfs/dbraw/zinc/68/23/24/604682324.db2.gz AURNXKUNONWGPH-LLVKDONJSA-N -1 0 329.381 3.720 20 0 EHADRM CCC[C@@H](C)[C@H]1CCCN1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000829208903 604685818 /nfs/dbraw/zinc/68/58/18/604685818.db2.gz PAKIAYVYXCMFDL-RHSMWYFYSA-N -1 0 347.459 3.929 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1-c1nc([C@@H](C)CN(C)C(=O)[O-])no1 ZINC000830433163 604686504 /nfs/dbraw/zinc/68/65/04/604686504.db2.gz QTKIAYGDQHQRDM-JTQLQIEISA-N -1 0 328.372 3.548 20 0 EHADRM CC(C)Oc1cccc([C@H](C)NC(=O)Cc2cccc(C(=O)[O-])c2)c1 ZINC000262131589 604706869 /nfs/dbraw/zinc/70/68/69/604706869.db2.gz KWXZKMDTEYRCNQ-AWEZNQCLSA-N -1 0 341.407 3.592 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000833342797 604707416 /nfs/dbraw/zinc/70/74/16/604707416.db2.gz UXUVAUGIBCWWSD-UHFFFAOYSA-N -1 0 333.262 3.857 20 0 EHADRM CCCOc1cc(-c2nc3cc(C(=O)[O-])ccc3n2C)ccc1OC ZINC000833652131 604712403 /nfs/dbraw/zinc/71/24/03/604712403.db2.gz MAEQAXYSRYPPAJ-UHFFFAOYSA-N -1 0 340.379 3.736 20 0 EHADRM Cc1cc([C@@H](C)Sc2nc3nc(C)c(C)c(C)n3n2)oc1C(=O)[O-] ZINC000832876111 604712682 /nfs/dbraw/zinc/71/26/82/604712682.db2.gz WAQLYVXMXBYUAO-LLVKDONJSA-N -1 0 346.412 3.502 20 0 EHADRM C[C@@H](C(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccc(Cl)s1 ZINC000826026336 604740127 /nfs/dbraw/zinc/74/01/27/604740127.db2.gz NKHBFDKOYGFAII-SSDOTTSWSA-N -1 0 344.845 3.617 20 0 EHADRM Cc1cc2cc(C(=O)Nc3nc(CCC(=O)[O-])cs3)oc2cc1C ZINC000832905280 604741840 /nfs/dbraw/zinc/74/18/40/604741840.db2.gz CLMRRHUIAZLOJX-UHFFFAOYSA-N -1 0 344.392 3.776 20 0 EHADRM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000357444872 604744265 /nfs/dbraw/zinc/74/42/65/604744265.db2.gz YRFJRXWQCDYLTF-NWDGAFQWSA-N -1 0 327.355 3.672 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccc(C(C)=O)cc1 ZINC000829028137 604764822 /nfs/dbraw/zinc/76/48/22/604764822.db2.gz SQZZMRXUECTRGE-SFHVURJKSA-N -1 0 339.391 3.567 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)COc1cc(Cl)ccc1Cl ZINC000013318493 604768908 /nfs/dbraw/zinc/76/89/08/604768908.db2.gz NFVJJONTQWXLTH-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM CN(C)c1cccc([C@@H]2CCCN2[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000830643091 604770042 /nfs/dbraw/zinc/77/00/42/604770042.db2.gz CAZINRBMTXHXFK-RBUKOAKNSA-N -1 0 342.414 3.855 20 0 EHADRM Cc1ccc2cc(-c3nc(-c4ccc(C(=O)[O-])cc4)no3)ccc2n1 ZINC000832958986 604778783 /nfs/dbraw/zinc/77/87/83/604778783.db2.gz DFBROQSMZJNADX-UHFFFAOYSA-N -1 0 331.331 3.958 20 0 EHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC000761866490 604781699 /nfs/dbraw/zinc/78/16/99/604781699.db2.gz RKLDFAXWVCZSEI-SIFUEBAJSA-N -1 0 347.773 3.825 20 0 EHADRM CC(C)N(C)c1ccc(NC(=O)Cc2ccccc2C(=O)[O-])cc1F ZINC000328310833 604782947 /nfs/dbraw/zinc/78/29/47/604782947.db2.gz OQNULNCTFXPGMP-UHFFFAOYSA-N -1 0 344.386 3.550 20 0 EHADRM CCC(C)(C)CC(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000828609363 604790250 /nfs/dbraw/zinc/79/02/50/604790250.db2.gz QWYNRYVUVLHQIN-UHFFFAOYSA-N -1 0 332.444 3.614 20 0 EHADRM C[C@H](OC(=O)CCNC(=O)[O-])c1ccc(Cl)c(C(F)(F)F)c1 ZINC000833531706 604791070 /nfs/dbraw/zinc/79/10/70/604791070.db2.gz YXGSXAATOQJZBS-ZETCQYMHSA-N -1 0 339.697 3.621 20 0 EHADRM O=C([O-])c1cc(F)c(F)cc1NCc1noc(C2CCCCC2)n1 ZINC000833298728 604802104 /nfs/dbraw/zinc/80/21/04/604802104.db2.gz CMWSRDSGOYFBQU-UHFFFAOYSA-N -1 0 337.326 3.706 20 0 EHADRM CC(C)c1ccc(CCNC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000827117725 604803077 /nfs/dbraw/zinc/80/30/77/604803077.db2.gz IEERGAKMLUATEC-UHFFFAOYSA-N -1 0 329.371 3.620 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)CCCC(F)(F)F)c1ccccc1 ZINC000833414052 604806915 /nfs/dbraw/zinc/80/69/15/604806915.db2.gz PRVLSOJFMRXTPW-CYBMUJFWSA-N -1 0 331.334 3.687 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000833596578 604836958 /nfs/dbraw/zinc/83/69/58/604836958.db2.gz FMCNAXUTFWGKHR-SPYBWZPUSA-N -1 0 337.419 3.720 20 0 EHADRM Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000830690972 604837132 /nfs/dbraw/zinc/83/71/32/604837132.db2.gz JFPKFTLRPQKBNK-UHFFFAOYSA-N -1 0 348.362 3.794 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccc(C(=O)[O-])cc2F)Cc2ccccc21 ZINC000833560436 604855116 /nfs/dbraw/zinc/85/51/16/604855116.db2.gz SVMIRZGPOLQTSJ-UHFFFAOYSA-N -1 0 342.370 3.849 20 0 EHADRM C[C@H](C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21)c1ccccc1F ZINC000669434662 604861688 /nfs/dbraw/zinc/86/16/88/604861688.db2.gz IRZLIKMZXVYZFG-WFASDCNBSA-N -1 0 327.355 3.534 20 0 EHADRM CN(C(=O)c1nc(-c2ccccc2)cs1)C1(C(=O)[O-])CCCCC1 ZINC000833688304 604865540 /nfs/dbraw/zinc/86/55/40/604865540.db2.gz LKHICXYPMRBJHN-UHFFFAOYSA-N -1 0 344.436 3.670 20 0 EHADRM CN(C(=O)c1csc(-c2ccccc2)n1)C1(C(=O)[O-])CCCCC1 ZINC000191315732 604866208 /nfs/dbraw/zinc/86/62/08/604866208.db2.gz SJKUCLWJOVKZJA-UHFFFAOYSA-N -1 0 344.436 3.670 20 0 EHADRM CC(C)Oc1ccccc1C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1 ZINC000833507564 604876144 /nfs/dbraw/zinc/87/61/44/604876144.db2.gz VEQYKNZBHFMLQX-UHFFFAOYSA-N -1 0 346.408 3.758 20 0 EHADRM CC1=C(C(=O)Oc2ccc(Br)cc2C(=O)[O-])CCC1 ZINC000833580173 604877148 /nfs/dbraw/zinc/87/71/48/604877148.db2.gz UNWAXQRLJJFPQQ-UHFFFAOYSA-N -1 0 325.158 3.553 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cccc(C(F)F)c2)C1 ZINC000649364940 604886679 /nfs/dbraw/zinc/88/66/79/604886679.db2.gz YCTHLOXFPPTYPU-CYBMUJFWSA-N -1 0 325.355 3.587 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)CCSc2ccccc2)C1 ZINC000321984857 604888398 /nfs/dbraw/zinc/88/83/98/604888398.db2.gz DDEDVFCBYKLTFU-CQSZACIVSA-N -1 0 335.469 3.518 20 0 EHADRM O=C([O-])[C@@H](OC(=O)[C@H]1CCCc2sccc21)c1ccc(F)cc1 ZINC000833350400 604888660 /nfs/dbraw/zinc/88/86/60/604888660.db2.gz LCSOQOPCRDFHCG-ZFWWWQNUSA-N -1 0 334.368 3.676 20 0 EHADRM Cc1cc(C)cc(CCC(=O)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC000431517491 604892179 /nfs/dbraw/zinc/89/21/79/604892179.db2.gz FOAPBHVMAHOTHH-UHFFFAOYSA-N -1 0 325.408 3.892 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)c(Cl)cc1F ZINC000679106274 604894630 /nfs/dbraw/zinc/89/46/30/604894630.db2.gz XXDFOEILOFRVBN-NSHDSACASA-N -1 0 341.810 3.751 20 0 EHADRM C[C@H](CC(=O)N1CCCC[C@H]1CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000683325094 604910374 /nfs/dbraw/zinc/91/03/74/604910374.db2.gz MGAVDMXSBAYMPU-BBRMVZONSA-N -1 0 337.847 3.765 20 0 EHADRM C[C@@H]1CCC[C@H](NC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)C1 ZINC000828244620 604920276 /nfs/dbraw/zinc/92/02/76/604920276.db2.gz AKLJDYRMYHYZIV-MNOVXSKESA-N -1 0 340.807 3.504 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ncc(-c3ccccc3)s2)cc1F ZINC000833163358 604929969 /nfs/dbraw/zinc/92/99/69/604929969.db2.gz SQVKIUWMXAFMKE-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)c2cccc([C@H]3CCOC3)c2)cc1 ZINC000833685750 604948610 /nfs/dbraw/zinc/94/86/10/604948610.db2.gz QTORIEKXAJGMRH-HNNXBMFYSA-N -1 0 340.379 3.557 20 0 EHADRM Cc1sc(NC(=O)c2cccc([C@@H]3CCOC3)c2)c(C(=O)[O-])c1C ZINC000833758250 604954675 /nfs/dbraw/zinc/95/46/75/604954675.db2.gz TXJMOQVJOSEAQQ-CQSZACIVSA-N -1 0 345.420 3.819 20 0 EHADRM O=C([O-])[C@H](N[C@@H](Cc1ccccc1)c1cccs1)c1cccnc1 ZINC000833167835 604973873 /nfs/dbraw/zinc/97/38/73/604973873.db2.gz QNCWDUOSKZWSIP-FUHWJXTLSA-N -1 0 338.432 3.842 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)NCCCC2CCCCC2)C1 ZINC000833417462 604976558 /nfs/dbraw/zinc/97/65/58/604976558.db2.gz SCMYHDCJWTZRSE-MRXNPFEDSA-N -1 0 338.492 3.879 20 0 EHADRM C[C@H](CCNC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC000392686607 604983019 /nfs/dbraw/zinc/98/30/19/604983019.db2.gz OCKFZLCYHSWVNY-WBVHZDCISA-N -1 0 346.471 3.713 20 0 EHADRM CC(C)CC(CC(C)C)NC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833476221 604983733 /nfs/dbraw/zinc/98/37/33/604983733.db2.gz ZZLLVCNVQOHGSI-HNNXBMFYSA-N -1 0 340.508 3.980 20 0 EHADRM O=C([O-])[C@@H](Nc1cccc(COCc2ccco2)c1)c1cccnc1 ZINC000833170383 604995579 /nfs/dbraw/zinc/99/55/79/604995579.db2.gz PYNGEMHIOKDTPF-SFHVURJKSA-N -1 0 338.363 3.629 20 0 EHADRM COc1ccccc1[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000832602082 604996486 /nfs/dbraw/zinc/99/64/86/604996486.db2.gz POFUOMIRFVPNAO-MRXNPFEDSA-N -1 0 343.354 3.510 20 0 EHADRM CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000829169805 604996689 /nfs/dbraw/zinc/99/66/89/604996689.db2.gz HQXXZKDDVHKMDZ-CQSZACIVSA-N -1 0 333.384 3.735 20 0 EHADRM CCc1nc(NC(=O)/C=C/c2ccc(Cl)s2)sc1C(=O)[O-] ZINC000833675566 604996890 /nfs/dbraw/zinc/99/68/90/604996890.db2.gz FNWXOBKSODRLLQ-GQCTYLIASA-N -1 0 342.829 3.771 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)N[C@H](CC(F)F)C(=O)[O-] ZINC000262873395 604997831 /nfs/dbraw/zinc/99/78/31/604997831.db2.gz BNLPILMZMPVFSN-GFCCVEGCSA-N -1 0 343.395 3.583 20 0 EHADRM C[C@H](N[C@@H](C(=O)[O-])c1cccnc1)c1nc(-c2ccccc2)cs1 ZINC000827718462 605000271 /nfs/dbraw/zinc/00/02/71/605000271.db2.gz SORHHVZDAXZSSX-BLLLJJGKSA-N -1 0 339.420 3.682 20 0 EHADRM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000833617223 605009170 /nfs/dbraw/zinc/00/91/70/605009170.db2.gz OYPURSMNIFOTQQ-PIGZYNQJSA-N -1 0 327.355 3.577 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1cccn1[C@@H](C)Cc1ccccc1 ZINC000833496578 605012980 /nfs/dbraw/zinc/01/29/80/605012980.db2.gz COKHYXKVWCQFGA-INIZCTEOSA-N -1 0 342.439 3.617 20 0 EHADRM CC(C)(C)OCc1ccccc1C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000833446138 605013962 /nfs/dbraw/zinc/01/39/62/605013962.db2.gz XHILIBXSUUYTTB-UHFFFAOYSA-N -1 0 347.455 3.719 20 0 EHADRM CC(C)Sc1ccc([C@@H](C)NC(=O)c2cncc(C(=O)[O-])c2)cc1 ZINC000630116580 605029706 /nfs/dbraw/zinc/02/97/06/605029706.db2.gz SMJRQGMORLAIII-GFCCVEGCSA-N -1 0 344.436 3.771 20 0 EHADRM C[C@@H]1C[C@H]1[C@@H](NC(=O)c1cncc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000833605591 605031848 /nfs/dbraw/zinc/03/18/48/605031848.db2.gz QVSIGUPILPFLKE-GTTSAUCSSA-N -1 0 344.798 3.560 20 0 EHADRM C[C@@H](C(=O)OCc1ccc(C(=O)[O-])s1)c1c(F)cccc1F ZINC000833408953 605035935 /nfs/dbraw/zinc/03/59/35/605035935.db2.gz GIPPOUMYMFLQDT-MRVPVSSYSA-N -1 0 326.320 3.571 20 0 EHADRM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCN(Cc2ccccc2Cl)CC1 ZINC000833547528 605043472 /nfs/dbraw/zinc/04/34/72/605043472.db2.gz UQCVNASDTPLIAP-ZDUSSCGKSA-N -1 0 348.830 3.510 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000761683928 605044468 /nfs/dbraw/zinc/04/44/68/605044468.db2.gz YAGWQDMECVDCIW-ARJAWSKDSA-N -1 0 329.440 3.973 20 0 EHADRM C[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000190473127 605052795 /nfs/dbraw/zinc/05/27/95/605052795.db2.gz NMTSVLPGKCKKFN-PXAZEXFGSA-N -1 0 347.361 3.791 20 0 EHADRM C[C@H](C(=O)OCc1ccccc1CC(=O)[O-])c1ccc(Cl)s1 ZINC000833409880 605056336 /nfs/dbraw/zinc/05/63/36/605056336.db2.gz SUPOSDISQIFZOO-JTQLQIEISA-N -1 0 338.812 3.876 20 0 EHADRM CC(C)[C@H]1C[C@@H](CC(=O)Nc2ccc(Cl)cc2C(=O)[O-])CCO1 ZINC000833472990 605073733 /nfs/dbraw/zinc/07/37/33/605073733.db2.gz YCOVYTKVJQNBNV-XHDPSFHLSA-N -1 0 339.819 3.818 20 0 EHADRM CC1(C)CO[C@@H](c2ccccc2Cl)CN1Cc1ccc(C(=O)[O-])[nH]1 ZINC000833561249 605106668 /nfs/dbraw/zinc/10/66/68/605106668.db2.gz VTXQDLONHAVZEW-MRXNPFEDSA-N -1 0 348.830 3.718 20 0 EHADRM C[C@]1(NC(=O)[C@H]2CCc3c2cccc3Cl)CCCC[C@@H]1C(=O)[O-] ZINC000833568041 605112669 /nfs/dbraw/zinc/11/26/69/605112669.db2.gz XJTFXVPWSNJZNO-IYOUNJFTSA-N -1 0 335.831 3.520 20 0 EHADRM C[C@@H]1CN(C(=O)N[C@H](CC2CCCC2)c2ccccc2)C[C@H]1C(=O)[O-] ZINC000833622684 605126175 /nfs/dbraw/zinc/12/61/75/605126175.db2.gz MZJMXSJVPPKWKO-ZTFGCOKTSA-N -1 0 344.455 3.670 20 0 EHADRM CN(Cc1ccc(NC(=O)/C=C\c2ccc3[nH]ccc3c2)cc1)C(=O)[O-] ZINC000833695790 605127140 /nfs/dbraw/zinc/12/71/40/605127140.db2.gz XAZMWSDZOVDJCG-UITAMQMPSA-N -1 0 349.390 3.930 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)Nc2nc(-c3ccc(C(=O)[O-])cc3)cs2)C1 ZINC000833606788 605129585 /nfs/dbraw/zinc/12/95/85/605129585.db2.gz VXQHVHSQTWURCX-MFKMUULPSA-N -1 0 330.409 3.883 20 0 EHADRM CC[C@](NC(=O)c1cc(Cl)ccc1C)(C(=O)[O-])c1ccccc1 ZINC000439894173 605148938 /nfs/dbraw/zinc/14/89/38/605148938.db2.gz NNHUVTXHKFGHQL-GOSISDBHSA-N -1 0 331.799 3.768 20 0 EHADRM CC(C)(C)C[C@@H](Sc1nnc(NCc2ccco2)s1)C(=O)[O-] ZINC000833429362 605149253 /nfs/dbraw/zinc/14/92/53/605149253.db2.gz JSBJZMPVGBSADU-SNVBAGLBSA-N -1 0 341.458 3.725 20 0 EHADRM CC(C)(C)C[C@H](Sc1nnc(NCc2ccco2)s1)C(=O)[O-] ZINC000833429360 605149315 /nfs/dbraw/zinc/14/93/15/605149315.db2.gz JSBJZMPVGBSADU-JTQLQIEISA-N -1 0 341.458 3.725 20 0 EHADRM CCC(CC)n1nc(C(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1C ZINC000833641615 605149534 /nfs/dbraw/zinc/14/95/34/605149534.db2.gz JCZVBACIFKUUMQ-UHFFFAOYSA-N -1 0 344.415 3.573 20 0 EHADRM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2C(=O)CC/C=C\c1ccccc1 ZINC000832229114 605152474 /nfs/dbraw/zinc/15/24/74/605152474.db2.gz VKYVDGDSFLJHJM-CBBARYCPSA-N -1 0 342.439 3.660 20 0 EHADRM CC(C)(C)OC(=O)c1ccccc1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000833443950 605154298 /nfs/dbraw/zinc/15/42/98/605154298.db2.gz FZQBIZJTJODFAN-UHFFFAOYSA-N -1 0 341.363 3.592 20 0 EHADRM CC(C)(C)C[C@H](Sc1nnc(CCc2ccccc2)o1)C(=O)[O-] ZINC000833429116 605154357 /nfs/dbraw/zinc/15/43/57/605154357.db2.gz HRKWEDPCAFEUGL-ZDUSSCGKSA-N -1 0 334.441 3.836 20 0 EHADRM Cc1c(NC(=O)N[C@@H](C)c2cccc(F)c2F)cccc1C(=O)[O-] ZINC000833742786 605154469 /nfs/dbraw/zinc/15/44/69/605154469.db2.gz ZGXQRZNLKGTHNM-JTQLQIEISA-N -1 0 334.322 3.854 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)C1 ZINC000833602107 605157501 /nfs/dbraw/zinc/15/75/01/605157501.db2.gz PDPQEZCBZKKBLF-RKDXNWHRSA-N -1 0 326.190 3.522 20 0 EHADRM Cc1c(C(=O)[O-])csc1NC(=O)c1csc(Br)c1 ZINC000833741979 605158363 /nfs/dbraw/zinc/15/83/63/605158363.db2.gz YJHUUWODRNHTME-UHFFFAOYSA-N -1 0 346.227 3.831 20 0 EHADRM CCc1[nH]c(C(=O)N(C)c2ccc(F)c(Cl)c2)c(C)c1C(=O)[O-] ZINC000833667750 605162662 /nfs/dbraw/zinc/16/26/62/605162662.db2.gz ONDCFDMVIVPUQR-UHFFFAOYSA-N -1 0 338.766 3.653 20 0 EHADRM C[C@H]1CCC[C@@H](OCCCCCC(=O)N2CCCC[C@@H]2C(=O)[O-])C1 ZINC000833608126 605166753 /nfs/dbraw/zinc/16/67/53/605166753.db2.gz MHVXCFHQBIDZCW-GVDBMIGSSA-N -1 0 339.476 3.608 20 0 EHADRM CC1=C(C(=O)[O-])[C@H](c2cc(Cl)ccc2Cl)NC(=O)N1C1CC1 ZINC000833575463 605167620 /nfs/dbraw/zinc/16/76/20/605167620.db2.gz CTNUXJFDQQCOLJ-ZDUSSCGKSA-N -1 0 341.194 3.581 20 0 EHADRM C[C@@H]1CCC[C@@H](OCCCCCC(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC000833608076 605171791 /nfs/dbraw/zinc/17/17/91/605171791.db2.gz LUQUYUXMOZNGLW-RHSMWYFYSA-N -1 0 348.443 3.874 20 0 EHADRM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC000833599043 605172780 /nfs/dbraw/zinc/17/27/80/605172780.db2.gz VSCGDGJYGLVXKQ-ZBEGNZNMSA-N -1 0 343.358 3.534 20 0 EHADRM CC(C)C[C@H](NC(=O)Nc1cncc(C(=O)[O-])c1)c1ccccc1 ZINC000833482912 605174700 /nfs/dbraw/zinc/17/47/00/605174700.db2.gz UJMCVYFWUORXLY-INIZCTEOSA-N -1 0 327.384 3.689 20 0 EHADRM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000833547521 605177253 /nfs/dbraw/zinc/17/72/53/605177253.db2.gz UPQNECFXVSBDPC-NSHDSACASA-N -1 0 339.351 3.751 20 0 EHADRM COC(=O)Nc1cccc(NCc2cccc3c2N(C(=O)[O-])CC3)c1 ZINC000828723674 605239821 /nfs/dbraw/zinc/23/98/21/605239821.db2.gz WDFPHXRAUMQWFZ-UHFFFAOYSA-N -1 0 341.367 3.518 20 0 EHADRM CC(C)N(Cc1cccc(F)c1)C(=O)Cc1ccccc1C(=O)[O-] ZINC000833497781 605239747 /nfs/dbraw/zinc/23/97/47/605239747.db2.gz IOGKKEOUTWWHOW-UHFFFAOYSA-N -1 0 329.371 3.504 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000431654212 605257400 /nfs/dbraw/zinc/25/74/00/605257400.db2.gz HAGLRMCJWCFRMV-OAHLLOKOSA-N -1 0 325.408 3.660 20 0 EHADRM CC(C)[C@H]1c2ccccc2CCN1C(=O)Cc1ccccc1C(=O)[O-] ZINC000833472809 605260547 /nfs/dbraw/zinc/26/05/47/605260547.db2.gz CSIYTIVBYGZBHH-FQEVSTJZSA-N -1 0 337.419 3.709 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000799244960 605264098 /nfs/dbraw/zinc/26/40/98/605264098.db2.gz RHEHBJQSOZKTTF-UHFFFAOYSA-N -1 0 335.831 3.847 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1cc(CCc2ccccc2)ccn1 ZINC000833455390 605264296 /nfs/dbraw/zinc/26/42/96/605264296.db2.gz BXDQMSIWTUTFLD-UHFFFAOYSA-N -1 0 340.423 3.696 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000431813822 605267232 /nfs/dbraw/zinc/26/72/32/605267232.db2.gz WZRZPDWMTSRQED-INIZCTEOSA-N -1 0 339.435 3.703 20 0 EHADRM CCC(CC)[C@@H]1C[C@H](Nc2nc(Cl)c(C(=O)[O-])s2)CCO1 ZINC000833642236 605295025 /nfs/dbraw/zinc/29/50/25/605295025.db2.gz IUCPYRSHAVUNTB-ZJUUUORDSA-N -1 0 332.853 3.890 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1ccnc(C2CC2)c1)c1ccccc1 ZINC000833412775 605300390 /nfs/dbraw/zinc/30/03/90/605300390.db2.gz LFBHWWLHQOHRES-KRWDZBQOSA-N -1 0 338.407 3.541 20 0 EHADRM CCC(CC)[C@@H]1C[C@H](NC(=O)Nc2cc(C(=O)[O-])ccc2C)CCO1 ZINC000833642807 605302425 /nfs/dbraw/zinc/30/24/25/605302425.db2.gz UAQJZAZPALCYAW-WBVHZDCISA-N -1 0 348.443 3.799 20 0 EHADRM COc1cccc(CN(C)[C@@H](C(=O)[O-])c2c(F)cccc2Cl)c1 ZINC000833735239 605371609 /nfs/dbraw/zinc/37/16/09/605371609.db2.gz HFKBHEHJIPSCBQ-MRXNPFEDSA-N -1 0 337.778 3.745 20 0 EHADRM CCc1cc(NC(=O)NC[C@H](C(=O)[O-])c2ccccc2)ccc1C ZINC000326231451 605399111 /nfs/dbraw/zinc/39/91/11/605399111.db2.gz IZVUVAPAYVPJSR-KRWDZBQOSA-N -1 0 326.396 3.547 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2cncc(Cl)c2Cl)ccc1F ZINC000834255604 605410746 /nfs/dbraw/zinc/41/07/46/605410746.db2.gz IBRNBMKVMFZDQL-UHFFFAOYSA-N -1 0 344.129 3.870 20 0 EHADRM CCN(Cc1cccc(NC(=O)/C=C\c2cncc(C)c2)c1)C(=O)[O-] ZINC000827168171 605426417 /nfs/dbraw/zinc/42/64/17/605426417.db2.gz UZLXFWIVEKOQHF-FPLPWBNLSA-N -1 0 339.395 3.542 20 0 EHADRM COc1ccc(NCc2noc(C3CCCCC3)n2)cc1NC(=O)[O-] ZINC000829480232 605515893 /nfs/dbraw/zinc/51/58/93/605515893.db2.gz SYYFFEFHLFVILB-UHFFFAOYSA-N -1 0 346.387 3.828 20 0 EHADRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])cc1)c1nc2ccccc2s1 ZINC000833530334 605524127 /nfs/dbraw/zinc/52/41/27/605524127.db2.gz BYMCAOBBAAVAMI-SNVBAGLBSA-N -1 0 327.361 3.913 20 0 EHADRM CCCN(C(=O)Nc1c(C)cccc1CC)C1CCN(C(=O)[O-])CC1 ZINC000826875600 605539194 /nfs/dbraw/zinc/53/91/94/605539194.db2.gz KVEXQOTZSCEAGL-UHFFFAOYSA-N -1 0 347.459 3.944 20 0 EHADRM C[C@H]1CC(C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)C[C@H](C)C1 ZINC000833594559 605606220 /nfs/dbraw/zinc/60/62/20/605606220.db2.gz OFDYXVFTLITJHD-HUUCEWRRSA-N -1 0 347.455 3.619 20 0 EHADRM C[C@@H]1C[C@H](C(=O)NCCc2ccc(NC(=O)[O-])cc2)CC(C)(C)C1 ZINC000833591629 605607979 /nfs/dbraw/zinc/60/79/79/605607979.db2.gz YHZRYDLKIORJHH-HIFRSBDPSA-N -1 0 332.444 3.898 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCCSc3ccccc32)c(O)c1 ZINC000834258291 605628605 /nfs/dbraw/zinc/62/86/05/605628605.db2.gz OMNWYVWTFREECE-UHFFFAOYSA-N -1 0 344.392 3.625 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCC[C@H]2c2ccsc2)c(O)c1 ZINC000834257411 605643114 /nfs/dbraw/zinc/64/31/14/605643114.db2.gz IOFQZSFCOMOSLX-ZDUSSCGKSA-N -1 0 332.381 3.521 20 0 EHADRM Cc1cc(NC(=O)c2ccc(NC(=O)[O-])c(C)c2)nc(C(C)C)n1 ZINC000830117417 605646363 /nfs/dbraw/zinc/64/63/63/605646363.db2.gz WVLSWNBGNKRHDA-UHFFFAOYSA-N -1 0 328.372 3.559 20 0 EHADRM O=C([O-])NC[C@@H]1CCC[C@H]1Nc1cccc(COCc2ccco2)c1 ZINC000834215685 605654169 /nfs/dbraw/zinc/65/41/69/605654169.db2.gz POHGGEVWSKCGCR-MAUKXSAKSA-N -1 0 344.411 3.845 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCCc3ccc(F)c(F)c32)cc1 ZINC000834254930 605687406 /nfs/dbraw/zinc/68/74/06/605687406.db2.gz FJHFGGPTYSGVCV-UHFFFAOYSA-N -1 0 332.306 3.648 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000740041828 605695614 /nfs/dbraw/zinc/69/56/14/605695614.db2.gz VNPIMCWCEWULNG-CYBMUJFWSA-N -1 0 328.343 3.545 20 0 EHADRM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000833606309 605709458 /nfs/dbraw/zinc/70/94/58/605709458.db2.gz OMGXXJNQEVCNPT-CMPLNLGQSA-N -1 0 344.333 3.508 20 0 EHADRM Cc1cc(C(=O)N[C@H](C2CCCC2)C(F)(F)F)ccc1NC(=O)[O-] ZINC000829940441 605709521 /nfs/dbraw/zinc/70/95/21/605709521.db2.gz NHIYKKFDPGZYFH-CYBMUJFWSA-N -1 0 344.333 3.936 20 0 EHADRM CC(C)CO[C@@H](C)C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833489775 605713553 /nfs/dbraw/zinc/71/35/53/605713553.db2.gz KDISRLUKWHMGOW-TVQRCGJNSA-N -1 0 349.210 3.723 20 0 EHADRM O=C([O-])N1CCCCC[C@H]1c1noc(Cc2c[nH]c3ccccc23)n1 ZINC000834102717 605722200 /nfs/dbraw/zinc/72/22/00/605722200.db2.gz FQHMTVGBIRWMSW-HNNXBMFYSA-N -1 0 340.383 3.737 20 0 EHADRM C[C@H](C(=O)N1CC[C@H](NC(=O)[O-])C[C@@H]1C)c1ccc2ccccc2c1 ZINC000823662072 605753360 /nfs/dbraw/zinc/75/33/60/605753360.db2.gz MFKKCFLAICYLSP-DEYYWGMASA-N -1 0 340.423 3.590 20 0 EHADRM O=C([O-])N[C@H]1CCCCCC[C@H]1C(=O)Nc1scnc1C1CC1 ZINC000834185471 605757090 /nfs/dbraw/zinc/75/70/90/605757090.db2.gz PTFKIYKPZHLEQY-NEPJUHHUSA-N -1 0 337.445 3.566 20 0 EHADRM CC(C)c1nnc(CSCc2cc(C(=O)[O-])ccc2Cl)o1 ZINC000833511606 605788165 /nfs/dbraw/zinc/78/81/65/605788165.db2.gz BIFGEMAJYCQSIQ-UHFFFAOYSA-N -1 0 326.805 3.978 20 0 EHADRM C[C@@H](SCc1cc(C(=O)[O-])ccc1Cl)C(=O)N1CCCCC1 ZINC000833541515 605788329 /nfs/dbraw/zinc/78/83/29/605788329.db2.gz BPGKHZOPBNKKSH-LLVKDONJSA-N -1 0 341.860 3.672 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)c(F)c1 ZINC000833776723 605798244 /nfs/dbraw/zinc/79/82/44/605798244.db2.gz PEYGQUGQVQLSMH-ZIAGYGMSSA-N -1 0 348.757 3.815 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)CCc2cc(Cl)cs2)c(F)c1 ZINC000833775925 605804954 /nfs/dbraw/zinc/80/49/54/605804954.db2.gz CNGPQIVMRUULCE-UHFFFAOYSA-N -1 0 342.775 3.706 20 0 EHADRM O=C([O-])N[C@H]1C[C@@H](NCc2ccn(C3CCCC3)n2)c2ccccc21 ZINC000834159859 605806058 /nfs/dbraw/zinc/80/60/58/605806058.db2.gz YYRBIDIJMKFJNL-MSOLQXFVSA-N -1 0 340.427 3.542 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N(Cc2ccco2)C2CCCC2)c1 ZINC000834264293 605809237 /nfs/dbraw/zinc/80/92/37/605809237.db2.gz JJNCXWIHFNPKLN-UHFFFAOYSA-N -1 0 342.395 3.883 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)Nc2ccc(N3CCCC3)cc2)c1 ZINC000834266257 605809689 /nfs/dbraw/zinc/80/96/89/605809689.db2.gz MKAQWPQVLDDMDJ-UHFFFAOYSA-N -1 0 339.395 3.558 20 0 EHADRM O=C([O-])NC1CCC(C(=O)Nc2ccc3cccc(Cl)c3n2)CC1 ZINC000834170183 605821189 /nfs/dbraw/zinc/82/11/89/605821189.db2.gz NGGZMQLTURKBFC-UHFFFAOYSA-N -1 0 347.802 3.653 20 0 EHADRM CN(Cc1nc2ccccc2n1C)Cc1cc(C(=O)[O-])ccc1Cl ZINC000833694351 605841959 /nfs/dbraw/zinc/84/19/59/605841959.db2.gz HFAXLBSUMRCWOG-UHFFFAOYSA-N -1 0 343.814 3.557 20 0 EHADRM O=C([O-])N1[C@@H]2CC[C@H]1CN(C(=O)Nc1cccc3ccsc31)CC2 ZINC000834056224 605941230 /nfs/dbraw/zinc/94/12/30/605941230.db2.gz MCWIZIKKYVPZLZ-OLZOCXBDSA-N -1 0 345.424 3.650 20 0 EHADRM Cc1nc(NC(=O)[O-])sc1C(=O)N(C(C)C)C1CCCCC1 ZINC000833913470 605942965 /nfs/dbraw/zinc/94/29/65/605942965.db2.gz DAVNMYBDAUSQPR-UHFFFAOYSA-N -1 0 325.434 3.725 20 0 EHADRM CC(C)(C)Oc1ccncc1NC(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000833791113 605946352 /nfs/dbraw/zinc/94/63/52/605946352.db2.gz PCYCVQPIRPFGLY-UHFFFAOYSA-N -1 0 343.383 3.530 20 0 EHADRM CC(C)(C)Oc1ccncc1NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000833447602 605946470 /nfs/dbraw/zinc/94/64/70/605946470.db2.gz XCJHWLHEDUQBLT-UHFFFAOYSA-N -1 0 329.356 3.601 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)Nc2ccc(-c3ccc[nH]3)cc2)cc1 ZINC000834256413 605976266 /nfs/dbraw/zinc/97/62/66/605976266.db2.gz QHZDCGVHSPAXBD-UHFFFAOYSA-N -1 0 335.363 3.953 20 0 EHADRM O=C([O-])N1CCC([C@@H](NCc2nccs2)c2ccc(F)cc2)CC1 ZINC000834072690 605982660 /nfs/dbraw/zinc/98/26/60/605982660.db2.gz CWVHYZKPTIODPB-INIZCTEOSA-N -1 0 349.431 3.503 20 0 EHADRM O=C([O-])N1CCC[C@@H](CCN[C@H](c2nccs2)c2ccccc2)C1 ZINC000834100708 605983651 /nfs/dbraw/zinc/98/36/51/605983651.db2.gz UUZMRINZFKMMAG-HOCLYGCPSA-N -1 0 345.468 3.602 20 0 EHADRM O=C([O-])N[C@@H](CC(F)F)C(=O)Nc1ccccc1-c1ccccc1 ZINC000834132356 606002765 /nfs/dbraw/zinc/00/27/65/606002765.db2.gz DXOKHNBPPUVEQZ-AWEZNQCLSA-N -1 0 334.322 3.584 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N1CCc2c(Cl)cccc2C1 ZINC000834271384 606064474 /nfs/dbraw/zinc/06/44/74/606064474.db2.gz IRWIJUNDTMOZGV-UHFFFAOYSA-N -1 0 344.798 3.557 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cc3ccc(F)cc3s2)C1 ZINC000321362091 970765103 /nfs/dbraw/zinc/76/51/03/970765103.db2.gz NSALQUVXVTUFPN-NSHDSACASA-N -1 0 335.400 3.757 20 0 EHADRM Cc1ccc(C)c(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000181890547 939033373 /nfs/dbraw/zinc/03/33/73/939033373.db2.gz MKVJLHQFCHPNJP-OAHLLOKOSA-N -1 0 335.762 3.652 20 0 EHADRM O=C([O-])C1(NC(=O)/C=C\c2ccc(Cl)s2)CCCCCC1 ZINC000208532283 939042833 /nfs/dbraw/zinc/04/28/33/939042833.db2.gz OAKCAKBNVDVIBZ-VURMDHGXSA-N -1 0 327.833 3.709 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc(Cl)sc1Cl)c1ccccc1 ZINC000219665991 939043079 /nfs/dbraw/zinc/04/30/79/939043079.db2.gz JZLZCUCWLIADGN-SNVBAGLBSA-N -1 0 330.192 3.611 20 0 EHADRM Cc1cc(/C=C/C(=O)N[C@@H](C(=O)[O-])C2CC2)c(C)n1C1CCCCC1 ZINC000767041821 939086326 /nfs/dbraw/zinc/08/63/26/939086326.db2.gz QGNIKSSXNKCQHK-GNISGLHKSA-N -1 0 344.455 3.603 20 0 EHADRM C/C(=C/C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000776688468 939105421 /nfs/dbraw/zinc/10/54/21/939105421.db2.gz PAXHVGKMDQDIJN-CCCPALQASA-N -1 0 347.773 3.825 20 0 EHADRM O=C([O-])C1(NC(=O)N[C@@H]2CCCc3sccc32)CCCCCC1 ZINC000321254699 939124099 /nfs/dbraw/zinc/12/40/99/939124099.db2.gz RBDMWXUFXRJGGD-CYBMUJFWSA-N -1 0 336.457 3.602 20 0 EHADRM CC[C@@H](NC(=O)NC1(C(=O)[O-])CCCCC1)c1ccc(Cl)s1 ZINC000780573055 939135595 /nfs/dbraw/zinc/13/55/95/939135595.db2.gz IFZCXZBIUNPCRR-SNVBAGLBSA-N -1 0 344.864 3.939 20 0 EHADRM CC[C@H](NC(=O)NC1(C(=O)[O-])CCCC1)c1ccc(Cl)s1 ZINC000780574624 939136456 /nfs/dbraw/zinc/13/64/56/939136456.db2.gz YUJIZPMIZFZIAB-VIFPVBQESA-N -1 0 330.837 3.549 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@H]1CCC[C@@H](F)C1)c1ccc2ccccc2c1 ZINC000425244585 939141604 /nfs/dbraw/zinc/14/16/04/939141604.db2.gz SCTCHGGAQOVVSI-BBWFWOEESA-N -1 0 329.371 3.610 20 0 EHADRM CSc1ccc(C)c(NC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)c1 ZINC000780720191 939147751 /nfs/dbraw/zinc/14/77/51/939147751.db2.gz NHCNNQQMUZDTHL-OAHLLOKOSA-N -1 0 336.457 3.872 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1ccccc1F)c1cccc2ccccc21 ZINC000788314747 939148483 /nfs/dbraw/zinc/14/84/83/939148483.db2.gz IYBYONFDVOUCPH-QGZVFWFLSA-N -1 0 338.338 3.926 20 0 EHADRM CC[C@@](NC(=O)c1cccc(C)c1Cl)(C(=O)[O-])c1ccccc1 ZINC000431448128 939151584 /nfs/dbraw/zinc/15/15/84/939151584.db2.gz XOPSSEHAVCGVOK-SFHVURJKSA-N -1 0 331.799 3.768 20 0 EHADRM CC[C@@](NC(=O)/C=C/c1ccsc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000795543333 939157746 /nfs/dbraw/zinc/15/77/46/939157746.db2.gz FHNXLUPZKMXKEN-HJYWZVSTSA-N -1 0 349.839 3.921 20 0 EHADRM O=C([O-])[C@H](NC(=O)NCc1cccs1)c1cccc2ccccc21 ZINC000797702712 939158771 /nfs/dbraw/zinc/15/87/71/939158771.db2.gz GPAITNJCWIUCFU-MRXNPFEDSA-N -1 0 340.404 3.526 20 0 EHADRM C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1)c1ccsc1 ZINC000431871263 939165405 /nfs/dbraw/zinc/16/54/05/939165405.db2.gz KYIWGHQGIVZGPX-SJKOYZFVSA-N -1 0 339.416 3.947 20 0 EHADRM CCCc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000797735392 939197878 /nfs/dbraw/zinc/19/78/78/939197878.db2.gz KJGKHHXDSRCMAI-INIZCTEOSA-N -1 0 330.359 3.726 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)N[C@@H](C(=O)[O-])c2cccs2)cc1 ZINC000448987691 939205258 /nfs/dbraw/zinc/20/52/58/939205258.db2.gz CAURSTZMULUHHL-YVEFUNNKSA-N -1 0 331.437 3.746 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CC1CCC(C(F)(F)F)CC1)c1cccs1 ZINC000448993991 939206172 /nfs/dbraw/zinc/20/61/72/939206172.db2.gz NYNVIWOWGJAZPB-ZPPKWKGLSA-N -1 0 349.374 3.749 20 0 EHADRM CCc1cc(C(=O)N[C@@](CC)(C(=O)[O-])c2ccccc2)sc1C ZINC000485371890 939227745 /nfs/dbraw/zinc/22/77/45/939227745.db2.gz RCPJOCWPALUWOM-GOSISDBHSA-N -1 0 331.437 3.739 20 0 EHADRM CCc1cc(C)c(C(=O)N[C@](CC)(C(=O)[O-])c2ccc(Cl)cc2)o1 ZINC000507288262 939232127 /nfs/dbraw/zinc/23/21/27/939232127.db2.gz AKGOXHUVEUYOSQ-SFHVURJKSA-N -1 0 349.814 3.924 20 0 EHADRM C[C@@H](NC(=O)[C@@H](C(=O)[O-])C1CCCC1)c1ccccc1C(F)(F)F ZINC000852946944 939238823 /nfs/dbraw/zinc/23/88/23/939238823.db2.gz GEHMSEMYFKWIAX-YGRLFVJLSA-N -1 0 343.345 3.774 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC000516705385 939245572 /nfs/dbraw/zinc/24/55/72/939245572.db2.gz ZRAKDANTAKRDLH-AWEZNQCLSA-N -1 0 332.425 3.993 20 0 EHADRM Cc1cc(N2CCCCCC2)ccc1NC(=O)NC1(C(=O)[O-])CCC1 ZINC000900348854 939278585 /nfs/dbraw/zinc/27/85/85/939278585.db2.gz FXWPWVISEIYVGJ-UHFFFAOYSA-N -1 0 345.443 3.504 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)NC3(C(=O)[O-])CCCC3)ccc21 ZINC000554602971 939300435 /nfs/dbraw/zinc/30/04/35/939300435.db2.gz KFNZLDVLGUWDIT-UHFFFAOYSA-N -1 0 343.427 3.816 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)N[C@H](C(=O)[O-])C3CC3)cc2)cc1 ZINC000555851692 939306219 /nfs/dbraw/zinc/30/62/19/939306219.db2.gz KGICRDWZXWFDKM-KRWDZBQOSA-N -1 0 340.379 3.772 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N[C@@](C)(C(=O)[O-])C2CC2)cc1Cl ZINC000557775408 939308708 /nfs/dbraw/zinc/30/87/08/939308708.db2.gz STMZQVBRSFYNKP-MRXNPFEDSA-N -1 0 340.807 3.502 20 0 EHADRM CC(C)(C)CCNC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000559471272 939313541 /nfs/dbraw/zinc/31/35/41/939313541.db2.gz VUNOTZXHFAMWPN-MRXNPFEDSA-N -1 0 328.412 3.701 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)N[C@H](C(=O)[O-])c1ccsc1 ZINC000563448579 939339215 /nfs/dbraw/zinc/33/92/15/939339215.db2.gz CCSRGHLKHNAYQR-HZMBPMFUSA-N -1 0 337.828 3.522 20 0 EHADRM CCc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2cccs2)cc1CC ZINC000565459631 939348811 /nfs/dbraw/zinc/34/88/11/939348811.db2.gz NIBXLXNCZORMRY-OAHLLOKOSA-N -1 0 332.425 3.820 20 0 EHADRM O=C([O-])[C@H](NC(=O)C1CC2(CCC2)C1)c1ccc(Cl)cc1Cl ZINC000571449434 939391566 /nfs/dbraw/zinc/39/15/66/939391566.db2.gz SPFSROMVRMUSGW-CYBMUJFWSA-N -1 0 342.222 3.816 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CC1CCSCC1)c1ccc2ccccc2c1 ZINC000572342294 939398290 /nfs/dbraw/zinc/39/82/90/939398290.db2.gz MWQKNFLPJDBUIX-SFHVURJKSA-N -1 0 343.448 3.615 20 0 EHADRM CCC1CCC(NC(=O)Nc2ccc3nc(C)oc3c2)(C(=O)[O-])CC1 ZINC000573053989 939404555 /nfs/dbraw/zinc/40/45/55/939404555.db2.gz UIPIRXIPAIKYJX-UHFFFAOYSA-N -1 0 345.399 3.681 20 0 EHADRM CC(C)CCNC(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000573673434 939720571 /nfs/dbraw/zinc/72/05/71/939720571.db2.gz ZOCMBOAAEIDRBA-OAHLLOKOSA-N -1 0 347.242 3.639 20 0 EHADRM Cc1cccc([C@@H](NC(=O)CC(C)(C)CC(F)F)C(=O)[O-])c1C ZINC000909805079 939739927 /nfs/dbraw/zinc/73/99/27/939739927.db2.gz WSEBDZCUXHCNGJ-OAHLLOKOSA-N -1 0 327.371 3.617 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000576814605 939742389 /nfs/dbraw/zinc/74/23/89/939742389.db2.gz CLHOSHXMEYZWOD-JIXVBMEVSA-N -1 0 342.222 3.672 20 0 EHADRM Cc1ccc([C@H](NC(=O)NCc2ccc(Cl)cc2)C(=O)[O-])cc1C ZINC000577936758 939750431 /nfs/dbraw/zinc/75/04/31/939750431.db2.gz HINPIGDOZPBLGN-INIZCTEOSA-N -1 0 346.814 3.582 20 0 EHADRM Cc1ccc([C@@H](NC(=O)NCc2cccc(Cl)c2)C(=O)[O-])cc1C ZINC000578077002 939750850 /nfs/dbraw/zinc/75/08/50/939750850.db2.gz HWUZCXYPHHOWQX-MRXNPFEDSA-N -1 0 346.814 3.582 20 0 EHADRM Cc1cccc(Oc2ccc(NC(=O)NC3(C(=O)[O-])CC3)cc2)c1 ZINC000578663320 939756173 /nfs/dbraw/zinc/75/61/73/939756173.db2.gz ZRMYADUPONULDH-UHFFFAOYSA-N -1 0 326.352 3.526 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1ccccc1F)c1ccc2ccccc2c1 ZINC000580691621 939773431 /nfs/dbraw/zinc/77/34/31/939773431.db2.gz HPDXDVAZASRERY-KRWDZBQOSA-N -1 0 338.338 3.926 20 0 EHADRM CCc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)cc1F ZINC000582524539 939785191 /nfs/dbraw/zinc/78/51/91/939785191.db2.gz AYWWVHHPHURQPS-MRXNPFEDSA-N -1 0 348.349 3.783 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1C(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC000630145121 939812572 /nfs/dbraw/zinc/81/25/72/939812572.db2.gz QOHQAXWBKADKHK-FQEVSTJZSA-N -1 0 339.391 3.770 20 0 EHADRM CCOc1ccc(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)cc1Cl ZINC000663081478 939853324 /nfs/dbraw/zinc/85/33/24/939853324.db2.gz VWJMFNOMWQWOSU-AWEZNQCLSA-N -1 0 325.792 3.568 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1ccc2ccn(C(F)F)c2c1)C1CCCC1 ZINC000663127886 939856927 /nfs/dbraw/zinc/85/69/27/939856927.db2.gz VAAXENBDUKJJDU-CQSZACIVSA-N -1 0 336.338 3.866 20 0 EHADRM CC[C@H](CC(=O)N[C@@]1(C(=O)[O-])CCc2ccccc21)c1ccccc1 ZINC000675991185 939867626 /nfs/dbraw/zinc/86/76/26/939867626.db2.gz MWCCEDWDNCIOHA-VFNWGFHPSA-N -1 0 337.419 3.613 20 0 EHADRM CC(C)Oc1cccc([C@@H](C)NC(=O)NC2(C(=O)[O-])CCCCC2)c1 ZINC000679549794 939869858 /nfs/dbraw/zinc/86/98/58/939869858.db2.gz WQQHJBXUEFQWRH-CQSZACIVSA-N -1 0 348.443 3.622 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)N[C@]1(C(=O)[O-])CCc2ccccc21 ZINC000683921501 939871276 /nfs/dbraw/zinc/87/12/76/939871276.db2.gz ZCRUUXRLFYIYCV-GOSISDBHSA-N -1 0 344.798 3.696 20 0 EHADRM Cc1cccc([C@H](NC(=O)NCc2ccccc2Cl)C(=O)[O-])c1C ZINC000684711240 939871316 /nfs/dbraw/zinc/87/13/16/939871316.db2.gz RDPWHPSVVIVNBR-INIZCTEOSA-N -1 0 346.814 3.582 20 0 EHADRM CC[C@H]1CCCC[C@H]1NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000321588537 970785820 /nfs/dbraw/zinc/78/58/20/970785820.db2.gz DTOIDALEUQBOBR-TVQRCGJNSA-N -1 0 326.343 3.753 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2CCC(C(F)(F)F)CC2)c(F)c1 ZINC000321849142 970815721 /nfs/dbraw/zinc/81/57/21/970815721.db2.gz BUJVQLLSWABTKQ-UHFFFAOYSA-N -1 0 333.281 3.831 20 0 EHADRM O=C([O-])c1cnc(NCCc2cccc3cccnc32)c(Cl)c1 ZINC000321849015 970815949 /nfs/dbraw/zinc/81/59/49/970815949.db2.gz VGEJNRFSBHIJKK-UHFFFAOYSA-N -1 0 327.771 3.636 20 0 EHADRM COc1ccc(NC(=O)c2cc(F)c(Cl)cc2F)c(C(=O)[O-])c1 ZINC000321888428 970821239 /nfs/dbraw/zinc/82/12/39/970821239.db2.gz KYIPKPMUGQLBTB-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM CC(C)(C)[C@H]1CCCN(C(=O)NCCCCCCC(=O)[O-])CC1 ZINC000321940595 970828512 /nfs/dbraw/zinc/82/85/12/970828512.db2.gz BFGCPQZKZCONDR-HNNXBMFYSA-N -1 0 326.481 3.879 20 0 EHADRM C[C@H](NC(=O)CC1(CC(=O)[O-])CCCC1)c1ccc(F)c(F)c1 ZINC000321941201 970828692 /nfs/dbraw/zinc/82/86/92/970828692.db2.gz FCLFNHLPIJEWDP-NSHDSACASA-N -1 0 325.355 3.567 20 0 EHADRM C[C@H]1CC(NC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C[C@H](C)C1 ZINC000322193450 970857540 /nfs/dbraw/zinc/85/75/40/970857540.db2.gz QWCHDCIXPIWXGX-RKDXNWHRSA-N -1 0 326.343 3.609 20 0 EHADRM Cc1ccccc1N(CCC(=O)[O-])C(=O)C1CCC(F)(F)CC1 ZINC000322594995 970907874 /nfs/dbraw/zinc/90/78/74/970907874.db2.gz VROVMHMHBNPZLM-UHFFFAOYSA-N -1 0 325.355 3.628 20 0 EHADRM CC(C)CCCCCCNC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000322695994 970919827 /nfs/dbraw/zinc/91/98/27/970919827.db2.gz LYMJJCZKPNIXGL-INIZCTEOSA-N -1 0 326.481 3.879 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)Nc2cc(F)ccc2Cl)c1 ZINC000322975036 970954106 /nfs/dbraw/zinc/95/41/06/970954106.db2.gz TVZDQFJFAKFRMO-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM CCC(CC)(CNC(=O)c1cc2ccccc2c(Cl)n1)C(=O)[O-] ZINC000323011921 970958349 /nfs/dbraw/zinc/95/83/49/970958349.db2.gz OFGHGWPJMIFPCE-UHFFFAOYSA-N -1 0 334.803 3.509 20 0 EHADRM O=C(/C=C/c1ccc(C(=O)[O-])o1)Nc1ccccc1NC1CCC1 ZINC001601238523 970965408 /nfs/dbraw/zinc/96/54/08/970965408.db2.gz OOSMUMCTOHONOJ-PKNBQFBNSA-N -1 0 326.352 3.594 20 0 EHADRM O=C([O-])C1CCC(NC(=O)C[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001601249047 970966454 /nfs/dbraw/zinc/96/64/54/970966454.db2.gz FASNHWAHSZMTSU-CQLXCSJHSA-N -1 0 335.366 3.505 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC001601359810 970981873 /nfs/dbraw/zinc/98/18/73/970981873.db2.gz SQMNRINQTYYUCG-UHFFFAOYSA-N -1 0 338.190 3.551 20 0 EHADRM C[C@@H](CCc1ccco1)Nc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC000323434627 971005008 /nfs/dbraw/zinc/00/50/08/971005008.db2.gz RFKMQMAJUXBTRA-VIFPVBQESA-N -1 0 338.747 3.973 20 0 EHADRM Cc1ccccc1OCCCC(=O)N(C)c1ccccc1C(=O)[O-] ZINC000323846585 971045487 /nfs/dbraw/zinc/04/54/87/971045487.db2.gz BDIPKPZKWRHOJO-UHFFFAOYSA-N -1 0 327.380 3.515 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)CCOc1c(C)cccc1C ZINC000323907935 971056101 /nfs/dbraw/zinc/05/61/01/971056101.db2.gz ZRGCEKOTKXZQEN-UHFFFAOYSA-N -1 0 333.409 3.779 20 0 EHADRM CCOc1ccc(Oc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000323925956 971060297 /nfs/dbraw/zinc/06/02/97/971060297.db2.gz XELDCRQILDJUGE-ONNFQVAWSA-N -1 0 329.308 3.884 20 0 EHADRM COc1cc(Cl)ccc1-c1noc([C@@H]2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000323929625 971060597 /nfs/dbraw/zinc/06/05/97/971060597.db2.gz POEFUWBNDYDESJ-NXEZZACHSA-N -1 0 336.775 3.757 20 0 EHADRM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CCCC1CCCCC1 ZINC000323992440 971071713 /nfs/dbraw/zinc/07/17/13/971071713.db2.gz CMXCAJMEKODZAY-SFHVURJKSA-N -1 0 329.440 3.775 20 0 EHADRM Cc1ccc(CCC(=O)N2CCc3cc(C(=O)[O-])ccc32)cc1Cl ZINC000324014562 971073918 /nfs/dbraw/zinc/07/39/18/971073918.db2.gz KCHWLBXBWRRSHQ-UHFFFAOYSA-N -1 0 343.810 3.869 20 0 EHADRM O=C([O-])Cc1noc(-c2ccccc2OCc2ccccc2Cl)n1 ZINC001611519254 971093329 /nfs/dbraw/zinc/09/33/29/971093329.db2.gz GLMJTGWWQFQNGN-UHFFFAOYSA-N -1 0 344.754 3.596 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)N2CC[C@H](c3ccccc3)C2)c1 ZINC000324294445 971106231 /nfs/dbraw/zinc/10/62/31/971106231.db2.gz UAUWOQSIWBFGGS-AWEZNQCLSA-N -1 0 328.343 3.545 20 0 EHADRM O=C([O-])CCCCNC(=O)NC[C@]1(Cc2ccccc2)C=CCCC1 ZINC001601988286 971115089 /nfs/dbraw/zinc/11/50/89/971115089.db2.gz BWWIDPIOZVNVME-HXUWFJFHSA-N -1 0 344.455 3.510 20 0 EHADRM COc1ccc2nc(NC(=O)CC3(CC(=O)[O-])CCCC3)sc2c1 ZINC000324463199 971122690 /nfs/dbraw/zinc/12/26/90/971122690.db2.gz HAWGTFITFBDFNH-UHFFFAOYSA-N -1 0 348.424 3.669 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)/C=C/c2ccccc2Cl)c1F ZINC000324555927 971132596 /nfs/dbraw/zinc/13/25/96/971132596.db2.gz QWROKGVVGJIGQY-VMPITWQZSA-N -1 0 337.709 3.968 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccccc2C(F)(F)F)c(F)cc1F ZINC000324642406 971143454 /nfs/dbraw/zinc/14/34/54/971143454.db2.gz UYMKGXGPIJGJMN-UHFFFAOYSA-N -1 0 345.223 3.934 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c(C)s1 ZINC000324727640 971151473 /nfs/dbraw/zinc/15/14/73/971151473.db2.gz WBBIKSUJKONGIB-GFCCVEGCSA-N -1 0 346.452 3.966 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Nc2cccc(-c3ccon3)c2)c1 ZINC001602139769 971154595 /nfs/dbraw/zinc/15/45/95/971154595.db2.gz OTPDXJMXTAGFNU-UHFFFAOYSA-N -1 0 337.335 3.613 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2cccc(-n3cccc3)c2)CCCC1 ZINC000324817353 971159078 /nfs/dbraw/zinc/15/90/78/971159078.db2.gz WTDMGVGNGWSYTB-UHFFFAOYSA-N -1 0 326.396 3.841 20 0 EHADRM O=C([O-])c1ccc(CNc2ccc(C(=O)Nc3cccnc3)cc2)cc1 ZINC001602350067 971188961 /nfs/dbraw/zinc/18/89/61/971188961.db2.gz BJLKETPZIBQKGF-UHFFFAOYSA-N -1 0 347.374 3.644 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)[C@H]2CCCc3sccc32)c2ccccc21 ZINC000325455083 971218248 /nfs/dbraw/zinc/21/82/48/971218248.db2.gz YTINLTROFAFVBC-LSDHHAIUSA-N -1 0 341.432 3.773 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC000325482696 971219940 /nfs/dbraw/zinc/21/99/40/971219940.db2.gz IIDXJQCRADENES-CVEARBPZSA-N -1 0 330.428 3.748 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2cccc3ccccc32)CCCCC1 ZINC000325527310 971224023 /nfs/dbraw/zinc/22/40/23/971224023.db2.gz QVWMJSHVTFLQKL-UHFFFAOYSA-N -1 0 326.396 3.996 20 0 EHADRM COc1ccc(NC(=O)CSc2cc(C)ccc2C)c(C(=O)[O-])c1 ZINC000325882998 971251516 /nfs/dbraw/zinc/25/15/16/971251516.db2.gz OSYRDBKGVLITMI-UHFFFAOYSA-N -1 0 345.420 3.741 20 0 EHADRM O=C([O-])C1(NC(=O)c2cc3ccccc3c(Cl)n2)CCCCCC1 ZINC000326459579 971295099 /nfs/dbraw/zinc/29/50/99/971295099.db2.gz QKLKTOXDPCXLEB-UHFFFAOYSA-N -1 0 346.814 3.796 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)c1csc(-c2ccco2)n1 ZINC000326524382 971300124 /nfs/dbraw/zinc/30/01/24/971300124.db2.gz PRQGHNRNMQWISW-GFCCVEGCSA-N -1 0 348.424 3.557 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](c2nc([C@H]3CSc4ccccc4O3)no2)C1 ZINC000326566823 971303937 /nfs/dbraw/zinc/30/39/37/971303937.db2.gz XQQAQAHNOXAKAX-DMDPSCGWSA-N -1 0 346.408 3.654 20 0 EHADRM O=C([O-])c1c(NC(=O)C2Cc3ccccc3C2)sc2c1CCCC2 ZINC000326825452 971332710 /nfs/dbraw/zinc/33/27/10/971332710.db2.gz KDHMJUAHEAOUQN-UHFFFAOYSA-N -1 0 341.432 3.679 20 0 EHADRM CCc1ccc(NC(=O)c2cc(C(C)C)nn2CC)c(C(=O)[O-])c1 ZINC000326761853 971326113 /nfs/dbraw/zinc/32/61/13/971326113.db2.gz OATOBZQTCKLCLU-UHFFFAOYSA-N -1 0 329.400 3.539 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OCc1cnc2ccccc2c1 ZINC000326909016 971343556 /nfs/dbraw/zinc/34/35/56/971343556.db2.gz LVUKJVWVZFXYEC-VQHVLOKHSA-N -1 0 335.359 3.920 20 0 EHADRM COc1cc(NC(=O)N[C@H](C)c2ccccc2Cl)ccc1C(=O)[O-] ZINC000326921466 971345467 /nfs/dbraw/zinc/34/54/67/971345467.db2.gz TXPNDZOVLZWGCR-SNVBAGLBSA-N -1 0 348.786 3.930 20 0 EHADRM O=C([O-])c1ccc2c(c1)N(C(=O)Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000326976524 971352521 /nfs/dbraw/zinc/35/25/21/971352521.db2.gz NXXNLJLZALJQBG-UHFFFAOYSA-N -1 0 349.308 3.535 20 0 EHADRM COc1ccc(NC(=O)COc2ccc(C(C)C)cc2)c(C(=O)[O-])c1 ZINC000327406602 971396824 /nfs/dbraw/zinc/39/68/24/971396824.db2.gz WBDSQAJAOAUBFN-UHFFFAOYSA-N -1 0 343.379 3.534 20 0 EHADRM Cc1ccc(OCCCOc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1C ZINC000327622887 971412832 /nfs/dbraw/zinc/41/28/32/971412832.db2.gz NOLBDIGNQASNMK-UHFFFAOYSA-N -1 0 345.351 3.758 20 0 EHADRM O=C([O-])c1nn(-c2ccccc2)cc1OCCCCC1CCOCC1 ZINC000327643029 971414120 /nfs/dbraw/zinc/41/41/20/971414120.db2.gz SXEGAPYQYGBHFR-UHFFFAOYSA-N -1 0 344.411 3.546 20 0 EHADRM O=C([O-])/C=C/c1ccc(OCCOc2cccc3ncccc32)cc1 ZINC000327723006 971421821 /nfs/dbraw/zinc/42/18/21/971421821.db2.gz FIGBXICVZUEGSY-DHZHZOJOSA-N -1 0 335.359 3.790 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)ccc2[nH]1 ZINC000328096428 971446134 /nfs/dbraw/zinc/44/61/34/971446134.db2.gz ZWMKFDRIEYHANK-NEPJUHHUSA-N -1 0 343.427 3.690 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000013432341 948781769 /nfs/dbraw/zinc/78/17/69/948781769.db2.gz SFWZOGIDLPKYKN-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)N1CCC[C@](CC)(C(=O)[O-])C1 ZINC001589561133 948810513 /nfs/dbraw/zinc/81/05/13/948810513.db2.gz ILKJLRDYOBVNQI-PXNSSMCTSA-N -1 0 331.456 3.667 20 0 EHADRM CC[C@H](NC(=O)N1CCC[C@@](CC)(C(=O)[O-])C1)c1ccc(C)cc1 ZINC001589564223 948841746 /nfs/dbraw/zinc/84/17/46/948841746.db2.gz ISMPZZHFQNNRPW-QFBILLFUSA-N -1 0 332.444 3.733 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001589567272 948879654 /nfs/dbraw/zinc/87/96/54/948879654.db2.gz DHXMDUUMFYNRTF-MRXNPFEDSA-N -1 0 347.798 3.685 20 0 EHADRM COc1ccc2cc(CN(C)C(=O)c3cccc(C(=O)[O-])c3)ccc2c1 ZINC000341719324 971517649 /nfs/dbraw/zinc/51/76/49/971517649.db2.gz SXODQZKFOZYEAJ-UHFFFAOYSA-N -1 0 349.386 3.819 20 0 EHADRM CCOc1cccc([C@@H](C)NC(=O)CC2(CC(=O)[O-])CCCC2)c1 ZINC000345106829 971518951 /nfs/dbraw/zinc/51/89/51/971518951.db2.gz RQXXZRNWUDWHAI-CQSZACIVSA-N -1 0 333.428 3.688 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000342559479 971519243 /nfs/dbraw/zinc/51/92/43/971519243.db2.gz QJBMHFKEKZQMSU-UHFFFAOYSA-N -1 0 325.364 3.501 20 0 EHADRM CC[C@@H](Nc1cccnc1Cl)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001589574228 948929945 /nfs/dbraw/zinc/92/99/45/948929945.db2.gz WQNCWPCLFXVRJF-CYBMUJFWSA-N -1 0 347.802 3.571 20 0 EHADRM Cc1oc(CNC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)cc1C(=O)[O-] ZINC000345882377 971520141 /nfs/dbraw/zinc/52/01/41/971520141.db2.gz ANGZEOZXHHIJRA-RTBURBONSA-N -1 0 349.386 3.859 20 0 EHADRM CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(C(=O)[O-])s1 ZINC000347051832 971520727 /nfs/dbraw/zinc/52/07/27/971520727.db2.gz JQSOJCFTXVUTQX-UHFFFAOYSA-N -1 0 327.764 3.511 20 0 EHADRM C[C@@H](NC(=O)CC1(CC(=O)[O-])CCCC1)c1cccc(F)c1F ZINC000346329917 971520969 /nfs/dbraw/zinc/52/09/69/971520969.db2.gz WZBJBNWPCNQKLM-LLVKDONJSA-N -1 0 325.355 3.567 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(Oc3cccnc3)cc2)cc1 ZINC000346960892 971521170 /nfs/dbraw/zinc/52/11/70/971521170.db2.gz ADFGOZDOXWZOLQ-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM CCCC[C@@H](NC(=O)[C@@H](SCc1ccccc1)C(C)C)C(=O)[O-] ZINC000347260298 971521958 /nfs/dbraw/zinc/52/19/58/971521958.db2.gz MGSSVYLEXNGXPS-CVEARBPZSA-N -1 0 337.485 3.704 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2cnc(-c3ccccc3)s2)cc1 ZINC000347121229 971522160 /nfs/dbraw/zinc/52/21/60/971522160.db2.gz YZDRTNNLPBNHBF-UHFFFAOYSA-N -1 0 338.388 3.690 20 0 EHADRM CCCC[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000347268293 971523065 /nfs/dbraw/zinc/52/30/65/971523065.db2.gz PQDQKVZUFXPBQB-KURKYZTESA-N -1 0 325.408 3.703 20 0 EHADRM CCc1nc2ccc(Cl)cn2c1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000071448732 948990866 /nfs/dbraw/zinc/99/08/66/948990866.db2.gz KFUFUAQCUKNCJD-UHFFFAOYSA-N -1 0 343.770 3.501 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)Cc2cccc(C(=O)[O-])c2)c2ccccc21 ZINC000347385408 971524841 /nfs/dbraw/zinc/52/48/41/971524841.db2.gz ZGNNTHJZEOLGPK-GOSISDBHSA-N -1 0 337.419 3.856 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)c(F)c1 ZINC000358612769 971532101 /nfs/dbraw/zinc/53/21/01/971532101.db2.gz QWUXPSZUHAPQNG-MRXNPFEDSA-N -1 0 331.318 3.640 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)CC1(CC(=O)[O-])CCCC1)C(C)C ZINC000360095461 971532307 /nfs/dbraw/zinc/53/23/07/971532307.db2.gz ATKUNLXBXZDMJH-KRWDZBQOSA-N -1 0 332.444 3.629 20 0 EHADRM CCN(C(=O)c1cccc(C(=O)[O-])n1)[C@H](C)c1cc2ccccc2o1 ZINC000362500355 971534723 /nfs/dbraw/zinc/53/47/23/971534723.db2.gz RHCPPLNUMCKHLU-GFCCVEGCSA-N -1 0 338.363 3.749 20 0 EHADRM C[C@H](NC(=O)c1cccc(C(=O)[O-])n1)c1ccc(Cl)c(Cl)c1 ZINC000362491904 971535102 /nfs/dbraw/zinc/53/51/02/971535102.db2.gz GZYUOZXZFFQZCY-QMMMGPOBSA-N -1 0 339.178 3.578 20 0 EHADRM Cc1oc(CN(C)C(=O)c2cc(Cl)ccc2Cl)cc1C(=O)[O-] ZINC000362753646 971537597 /nfs/dbraw/zinc/53/75/97/971537597.db2.gz UHGLYLGWLGWOEI-UHFFFAOYSA-N -1 0 342.178 3.865 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC001589587428 949067108 /nfs/dbraw/zinc/06/71/08/949067108.db2.gz RQJNGZOZPYLCQG-CVEARBPZSA-N -1 0 335.444 3.583 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)C1 ZINC001589597705 949176004 /nfs/dbraw/zinc/17/60/04/949176004.db2.gz GPTPEQBBLGRRSC-QKLQHJQFSA-N -1 0 329.440 3.510 20 0 EHADRM O=C([O-])c1ccc(CNc2ccnc(Cc3ccc(F)cc3)n2)cc1 ZINC001595232637 949362641 /nfs/dbraw/zinc/36/26/41/949362641.db2.gz PLDSFXXXILOIDC-UHFFFAOYSA-N -1 0 337.354 3.517 20 0 EHADRM Cc1cc(Cl)c(NC(=O)c2ccc(C(=O)[O-])nc2)cc1Cl ZINC000159491205 949374912 /nfs/dbraw/zinc/37/49/12/949374912.db2.gz PAAUTVGFTIFGQJ-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccccc2OC(F)(F)F)c(F)c1 ZINC001595236102 949405486 /nfs/dbraw/zinc/40/54/86/949405486.db2.gz QJRRASZRLOJSAL-UHFFFAOYSA-N -1 0 343.232 3.675 20 0 EHADRM CC[C@@H]1CCCC[C@H]1N(C)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589621242 949413742 /nfs/dbraw/zinc/41/37/42/949413742.db2.gz HVDZVNTZYZZGMY-IBEHDNSVSA-N -1 0 338.492 3.732 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)N(CC2CCCCC2)C2CC2)c1 ZINC001595242910 949483398 /nfs/dbraw/zinc/48/33/98/949483398.db2.gz ADDOEIRKNUKIDJ-UHFFFAOYSA-N -1 0 330.428 3.639 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)[C@H]2CCC[C@@H]2Cc2ccccc2)c1 ZINC001595243415 949488593 /nfs/dbraw/zinc/48/85/93/949488593.db2.gz WEOBAHRRDACKNR-MJGOQNOKSA-N -1 0 337.419 3.660 20 0 EHADRM C[C@@](CNC(=O)c1ccc2ccccc2c1)(C(=O)[O-])c1ccccc1 ZINC000193062806 949513796 /nfs/dbraw/zinc/51/37/96/949513796.db2.gz BQTQUPRMRJOSHH-NRFANRHFSA-N -1 0 333.387 3.612 20 0 EHADRM CCCC[C@@H](CC)CNC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001589641350 949692473 /nfs/dbraw/zinc/69/24/73/949692473.db2.gz REWVKTNYZFVTRY-DNVCBOLYSA-N -1 0 334.460 3.545 20 0 EHADRM CCCCCCOC(=O)c1ccc(NC(=O)[C@@H](C(=O)[O-])C(C)C)cc1 ZINC001589645782 949733451 /nfs/dbraw/zinc/73/34/51/949733451.db2.gz QQBQGSDQVIMBAR-INIZCTEOSA-N -1 0 349.427 3.719 20 0 EHADRM Cc1cc(Br)cc(NC(=O)Cc2ccccc2C(=O)[O-])c1 ZINC000232062689 949761254 /nfs/dbraw/zinc/76/12/54/949761254.db2.gz ZAKVUFMWNQBRJC-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM CCCCOc1ccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c(Cl)c1 ZINC001589654153 949800012 /nfs/dbraw/zinc/80/00/12/949800012.db2.gz IZHURXFNVKEJHO-HNNXBMFYSA-N -1 0 339.819 3.598 20 0 EHADRM CCCCc1ccc(CC(=O)NCc2ccccc2C(=O)[O-])cc1 ZINC001589655615 949815202 /nfs/dbraw/zinc/81/52/02/949815202.db2.gz GTXNMQYNONPAIR-UHFFFAOYSA-N -1 0 325.408 3.586 20 0 EHADRM Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2Br)cc1 ZINC000235852517 949882516 /nfs/dbraw/zinc/88/25/16/949882516.db2.gz VUIBJWSZPSLRBT-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1cccc(OCc2cccs2)c1)C(=O)[O-] ZINC000236608217 949926950 /nfs/dbraw/zinc/92/69/50/949926950.db2.gz BVJIJKYOCJMYFR-MRXNPFEDSA-N -1 0 347.436 3.556 20 0 EHADRM CCCN(Cc1ccc(C)cc1)C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC001589674274 949972506 /nfs/dbraw/zinc/97/25/06/949972506.db2.gz JNRSFXAAHLFLOU-QGZVFWFLSA-N -1 0 334.460 3.664 20 0 EHADRM Cc1ccc2c(CC(=O)N3CCCC[C@@H]3CCC(=O)[O-])coc2c1 ZINC000237869846 949977835 /nfs/dbraw/zinc/97/78/35/949977835.db2.gz FVPFPXJECYOJHL-OAHLLOKOSA-N -1 0 329.396 3.530 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1C(=O)c1cccc(Oc2ccccc2)c1 ZINC000238046516 949992455 /nfs/dbraw/zinc/99/24/55/949992455.db2.gz NQMJCOYMIAOZEY-KRWDZBQOSA-N -1 0 325.364 3.558 20 0 EHADRM O=C([O-])COc1cccc(C(=O)N2CCC[C@@H]2CC2CCCCC2)c1 ZINC000262064655 950057696 /nfs/dbraw/zinc/05/76/96/950057696.db2.gz DMUBRJQKROIPHO-QGZVFWFLSA-N -1 0 345.439 3.725 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000262073420 950059064 /nfs/dbraw/zinc/05/90/64/950059064.db2.gz KEHRTDQECOPFSI-GUTXKFCHSA-N -1 0 349.839 3.718 20 0 EHADRM COc1ccccc1Oc1ccc(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])cc1 ZINC000262251082 950096528 /nfs/dbraw/zinc/09/65/28/950096528.db2.gz WWIUQONQFSNPBG-LSDHHAIUSA-N -1 0 341.363 3.537 20 0 EHADRM CCCc1ccc(-c2ccc(NC(=O)[C@](C)(OC)C(=O)[O-])cc2)cc1 ZINC001589691254 950111726 /nfs/dbraw/zinc/11/17/26/950111726.db2.gz FSSCAAYTNQPBOR-FQEVSTJZSA-N -1 0 341.407 3.734 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1cccnc1-c1ccccc1 ZINC000263004979 950211777 /nfs/dbraw/zinc/21/17/77/950211777.db2.gz GRVWUKBFKZAPNS-UHFFFAOYSA-N -1 0 327.384 3.514 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)C1CCC(c2ccccc2)CC1 ZINC000263127532 950281974 /nfs/dbraw/zinc/28/19/74/950281974.db2.gz FSKBWGZBXZPICJ-LTDKPHRXSA-N -1 0 329.440 3.672 20 0 EHADRM O=C([O-])CCCCC(=O)NCc1ccccc1Oc1ccccc1 ZINC000263242004 950338862 /nfs/dbraw/zinc/33/88/62/950338862.db2.gz CKIFDBABFLJZCA-UHFFFAOYSA-N -1 0 327.380 3.740 20 0 EHADRM Cc1ccc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c(Sc2ccccc2)c1 ZINC000263353732 950394315 /nfs/dbraw/zinc/39/43/15/950394315.db2.gz WKAPRQIFSIHYIM-OKILXGFUSA-N -1 0 341.432 3.739 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCC2(CCc3ccccc3C2)CC1 ZINC001602847154 971682591 /nfs/dbraw/zinc/68/25/91/971682591.db2.gz HEVHHPIOPZDIJN-QGZVFWFLSA-N -1 0 343.467 3.531 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(F)c(Cl)cc2F)c(F)c1 ZINC000316887347 950895396 /nfs/dbraw/zinc/89/53/96/950895396.db2.gz IPHREIZTHVJRIU-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM C[C@@H]1CCCN(C(=O)/C=C\c2cc(Cl)cc(Cl)c2)[C@@H]1C(=O)[O-] ZINC000318772000 950939114 /nfs/dbraw/zinc/93/91/14/950939114.db2.gz NASRSICXSJULHS-HSCSJIOFSA-N -1 0 342.222 3.718 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000320554744 950993615 /nfs/dbraw/zinc/99/36/15/950993615.db2.gz QSSYHNOWJSTCNL-QWHCGFSZSA-N -1 0 338.835 3.687 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)/C=C\c2ccc(Cl)s2)Cc2ccccc21 ZINC000321089971 951011013 /nfs/dbraw/zinc/01/10/13/951011013.db2.gz SXYRJPTWNZWVFR-QPBFKRLHSA-N -1 0 347.823 3.625 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000322239307 951026818 /nfs/dbraw/zinc/02/68/18/951026818.db2.gz FXKTUPUKWZKLLA-UHFFFAOYSA-N -1 0 342.298 3.644 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2c[nH]cc2-c2ccccc2)Cc2ccccc21 ZINC000347338237 951133673 /nfs/dbraw/zinc/13/36/73/951133673.db2.gz CZOAVUPRJZIZCJ-LJQANCHMSA-N -1 0 346.386 3.506 20 0 EHADRM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000345798689 951133701 /nfs/dbraw/zinc/13/37/01/951133701.db2.gz AFVCVTXHNJBGQT-LBPRGKRZSA-N -1 0 347.798 3.637 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)[C@H]2C[C@H]2c2cccc3ccccc32)CC1 ZINC000364194865 951137404 /nfs/dbraw/zinc/13/74/04/951137404.db2.gz JZMNVHQUQANXCA-ROUUACIJSA-N -1 0 337.419 3.657 20 0 EHADRM CC(C)(C)SCC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000372643181 951148132 /nfs/dbraw/zinc/14/81/32/951148132.db2.gz UYBQOJMTWRBJOA-UHFFFAOYSA-N -1 0 335.469 3.623 20 0 EHADRM CC(C)C[C@H](CNC(=O)N[C@H](C)[C@@H]1CC2CCC1CC2)CC(=O)[O-] ZINC000381487377 951209133 /nfs/dbraw/zinc/20/91/33/951209133.db2.gz GPPMTGISRYKGNA-XRQWDYAESA-N -1 0 338.492 3.637 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)C[C@@H](c1ccc(O)cc1)C1CC1 ZINC001595008052 951227621 /nfs/dbraw/zinc/22/76/21/951227621.db2.gz BMGQEQBJMIMPFW-FUHWJXTLSA-N -1 0 345.439 3.522 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)NC[C@H](c1ccccc1)C1CC1 ZINC001595011153 951242154 /nfs/dbraw/zinc/24/21/54/951242154.db2.gz HPJCJHLURGKZKN-ZWKOTPCHSA-N -1 0 344.455 3.609 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001592184148 951302166 /nfs/dbraw/zinc/30/21/66/951302166.db2.gz DTIHTVCTBCIOGW-LBPRGKRZSA-N -1 0 341.835 3.606 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)N[C@H](C(=O)[O-])c1cccc(C)c1 ZINC001592184698 951307043 /nfs/dbraw/zinc/30/70/43/951307043.db2.gz OHXPCOSBMCOSBV-INIZCTEOSA-N -1 0 347.798 3.603 20 0 EHADRM CC[C@@H](C)N(Cc1ccccc1)C(=O)Nc1cccnc1C(=O)[O-] ZINC000387432183 951317477 /nfs/dbraw/zinc/31/74/77/951317477.db2.gz XFVLTLLXMMVKFS-CYBMUJFWSA-N -1 0 327.384 3.612 20 0 EHADRM O=C([O-])CCCC(=O)Nc1ccc(Oc2ccncc2)c(Cl)c1 ZINC001595027893 951358010 /nfs/dbraw/zinc/35/80/10/951358010.db2.gz WBYSYHPEOHIGIT-UHFFFAOYSA-N -1 0 334.759 3.721 20 0 EHADRM O=C([O-])CCCC(=O)Nc1ccc(NCCc2ccccc2)cc1 ZINC001595027890 951358889 /nfs/dbraw/zinc/35/88/89/951358889.db2.gz VSHKAFYNYJYTIX-UHFFFAOYSA-N -1 0 326.396 3.535 20 0 EHADRM CCOc1ccc([C@@H](C)OC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC001592815171 951364855 /nfs/dbraw/zinc/36/48/55/951364855.db2.gz AXHIAGUKXUFYMV-UCQJPZFISA-N -1 0 330.336 3.694 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000391346612 951396140 /nfs/dbraw/zinc/39/61/40/951396140.db2.gz UYGMEKIFRRVHAR-NEPJUHHUSA-N -1 0 329.318 3.621 20 0 EHADRM O=C([O-])CCCCNC(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC001595043515 951435922 /nfs/dbraw/zinc/43/59/22/951435922.db2.gz QBMANBWPRHJJOT-UHFFFAOYSA-N -1 0 332.322 3.558 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)[C@H]1CCC=CCCC1)CCOC2 ZINC001595207273 952337082 /nfs/dbraw/zinc/33/70/82/952337082.db2.gz UZZJVOMENCUESB-NSHDSACASA-N -1 0 335.425 3.594 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H](Oc2ccccc2)c2ccccc2)ccn1 ZINC001595207687 952342271 /nfs/dbraw/zinc/34/22/71/952342271.db2.gz BPGJHFOGYBLVJI-SFHVURJKSA-N -1 0 348.358 3.539 20 0 EHADRM CC(C)(CCNC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001602940605 971909202 /nfs/dbraw/zinc/90/92/02/971909202.db2.gz INLATZFFLMJZQB-UHFFFAOYSA-N -1 0 340.423 3.552 20 0 EHADRM O=C([O-])c1cccc(NC(=O)NCC2(Cc3ccc(F)cc3)CC2)c1 ZINC001594746502 953392955 /nfs/dbraw/zinc/39/29/55/953392955.db2.gz VJYDUSCISAWOKD-UHFFFAOYSA-N -1 0 342.370 3.668 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NC2CCC3(CCCCC3)CC2)C1 ZINC001589273860 953439598 /nfs/dbraw/zinc/43/95/98/953439598.db2.gz GKBYEEXHMHNFND-CABCVRRESA-N -1 0 336.476 3.632 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1ccc(-c2ccncc2)c(C)c1)C(=O)[O-] ZINC001593609452 953451920 /nfs/dbraw/zinc/45/19/20/953451920.db2.gz CTGGKXWOWYGRLD-SJCJKPOMSA-N -1 0 341.411 3.678 20 0 EHADRM CCCN(Cc1ccc(F)cc1)C(=O)NCC(CC)(CC)C(=O)[O-] ZINC000424414173 953478479 /nfs/dbraw/zinc/47/84/79/953478479.db2.gz QAXPARMSNQLGRW-UHFFFAOYSA-N -1 0 338.423 3.638 20 0 EHADRM CSc1ccccc1[C@@H](C)NC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000424452399 953488877 /nfs/dbraw/zinc/48/88/77/953488877.db2.gz QCJVTZZPEPHIFU-OLZOCXBDSA-N -1 0 338.473 3.516 20 0 EHADRM CN(CCC(=O)[O-])C(=O)[C@H](Sc1ccccc1F)c1ccccc1 ZINC000428046710 953498580 /nfs/dbraw/zinc/49/85/80/953498580.db2.gz BNHWMXGBSSTCGO-QGZVFWFLSA-N -1 0 347.411 3.592 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)NCC[C@@H]2C[C@H]2C2CC2)c1Cl ZINC001594763267 953520267 /nfs/dbraw/zinc/52/02/67/953520267.db2.gz IWIDYUCHKKTYAZ-ZJUUUORDSA-N -1 0 340.782 3.735 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)C1(C)C ZINC001602958867 971937222 /nfs/dbraw/zinc/93/72/22/971937222.db2.gz CPWDDGLMVRKRCB-QBPKDAKJSA-N -1 0 327.424 3.654 20 0 EHADRM C[C@H](NC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)c1cc2ccccc2s1 ZINC000515379500 953539200 /nfs/dbraw/zinc/53/92/00/953539200.db2.gz CMMQBLWSOAYRTI-MBNYWOFBSA-N -1 0 346.452 3.715 20 0 EHADRM CCc1c(C(=O)Nc2cccc(C(=O)[O-])c2)cnn1-c1ccc(C)cc1 ZINC000531744167 953561312 /nfs/dbraw/zinc/56/13/12/953561312.db2.gz QHQRTFHUKYGYNE-UHFFFAOYSA-N -1 0 349.390 3.694 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cc3ccc(Cl)cc3[nH]2)CCCCC1 ZINC000531743217 953561440 /nfs/dbraw/zinc/56/14/40/953561440.db2.gz WWHSHFINCANGCT-UHFFFAOYSA-N -1 0 334.803 3.729 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000532255756 953563358 /nfs/dbraw/zinc/56/33/58/953563358.db2.gz WRZFXDGJRLYXFO-AWEZNQCLSA-N -1 0 335.469 3.709 20 0 EHADRM C[C@H]1CC(C(=O)Nc2sc3c(c2C(=O)[O-])COCC3)C[C@H](C)C1 ZINC001589285588 953565351 /nfs/dbraw/zinc/56/53/51/953565351.db2.gz ZOKGXCAHAFDVGA-NXEZZACHSA-N -1 0 337.441 3.530 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N[C@@H]2CCc3cc(Cl)ccc32)cc1 ZINC001594774274 953580836 /nfs/dbraw/zinc/58/08/36/953580836.db2.gz ZONHSJJBRXRNSY-MRXNPFEDSA-N -1 0 344.798 3.525 20 0 EHADRM COc1c(Cl)cc(NC(=O)N[C@H](CC(C)C)C(=O)[O-])cc1Cl ZINC000555851032 953584353 /nfs/dbraw/zinc/58/43/53/953584353.db2.gz CXQITAFVDYEHNI-LLVKDONJSA-N -1 0 349.214 3.623 20 0 EHADRM Cc1cc(NC(=O)CCc2ncc(C(C)(C)C)o2)ccc1C(=O)[O-] ZINC000556664887 953584473 /nfs/dbraw/zinc/58/44/73/953584473.db2.gz YKIQGUMIGCFGLS-UHFFFAOYSA-N -1 0 330.384 3.550 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)CC2CC(c3ccccc3)C2)CC1 ZINC000562647607 953591390 /nfs/dbraw/zinc/59/13/90/953591390.db2.gz PVIVWXHXMTYRNN-UHFFFAOYSA-N -1 0 329.440 3.674 20 0 EHADRM CCc1cc2oc(=O)cc(CS[C@H](C)C(=O)[O-])c2cc1Cl ZINC001593633466 953592970 /nfs/dbraw/zinc/59/29/70/953592970.db2.gz FOIBUWBVPCWQFB-MRVPVSSYSA-N -1 0 326.801 3.715 20 0 EHADRM CCOc1c(Cl)cc(NC(=O)N[C@@H](C(=O)[O-])C(C)C)cc1Cl ZINC000562974731 953593441 /nfs/dbraw/zinc/59/34/41/953593441.db2.gz OFJPOCVHRLPHSN-LLVKDONJSA-N -1 0 349.214 3.623 20 0 EHADRM CC[C@@H](NC(=O)Nc1cccc(COC2CCCCC2)c1)C(=O)[O-] ZINC000563753762 953600038 /nfs/dbraw/zinc/60/00/38/953600038.db2.gz ADFDFWHPUGOIPO-MRXNPFEDSA-N -1 0 334.416 3.521 20 0 EHADRM CCc1ccc([C@@H](NC(=O)NC[C@H](C(=O)[O-])C(C)C)C(C)C)cc1 ZINC001593636327 953611418 /nfs/dbraw/zinc/61/14/18/953611418.db2.gz CRKSJDCWMGIXHZ-IRXDYDNUSA-N -1 0 334.460 3.602 20 0 EHADRM CCc1nc2ccc(NC(=O)[C@@H](C(=O)[O-])C3CCCC3)cc2s1 ZINC001593651421 953710891 /nfs/dbraw/zinc/71/08/91/953710891.db2.gz SDDKBTQDWBYDEQ-HNNXBMFYSA-N -1 0 332.425 3.688 20 0 EHADRM O=C([O-])CC1(C(=O)N2CCC(c3c[nH]c4ccccc43)CC2)CCC1 ZINC000582063101 953722159 /nfs/dbraw/zinc/72/21/59/953722159.db2.gz OZNQIEBHIABAFR-UHFFFAOYSA-N -1 0 340.423 3.519 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000591653804 953743109 /nfs/dbraw/zinc/74/31/09/953743109.db2.gz VMNUOMDGPDOFFG-XHDPSFHLSA-N -1 0 347.436 3.621 20 0 EHADRM CCc1occc1C(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21 ZINC001593657915 953765691 /nfs/dbraw/zinc/76/56/91/953765691.db2.gz BXMYEDABIMJOMB-ZDUSSCGKSA-N -1 0 327.380 3.526 20 0 EHADRM C[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1cc2ccccc2s1 ZINC000626761408 953813918 /nfs/dbraw/zinc/81/39/18/953813918.db2.gz WEKUYQTUKUCASX-SGMGOOAPSA-N -1 0 346.452 3.715 20 0 EHADRM CCn1cc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c2ccccc21 ZINC001593665209 953830271 /nfs/dbraw/zinc/83/02/71/953830271.db2.gz NIMUEIJSOKGZLY-AEFFLSMTSA-N -1 0 348.402 3.704 20 0 EHADRM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccccc1C(=O)[O-] ZINC000630292773 953850693 /nfs/dbraw/zinc/85/06/93/953850693.db2.gz FXYBZMAMFCSAMV-INIZCTEOSA-N -1 0 345.826 3.718 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000630291485 953851141 /nfs/dbraw/zinc/85/11/41/953851141.db2.gz NOXBRFPYIVHCPM-HNNXBMFYSA-N -1 0 343.810 3.597 20 0 EHADRM CC[C@](C)(NC(=O)Cc1ccccc1C(=O)[O-])c1ccc(F)cc1 ZINC000630304039 953851673 /nfs/dbraw/zinc/85/16/73/953851673.db2.gz DZXPAFXYOXYYQM-IBGZPJMESA-N -1 0 329.371 3.508 20 0 EHADRM CCc1cc(C)cc(CC)c1NC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000630569425 953866356 /nfs/dbraw/zinc/86/63/56/953866356.db2.gz XQINILSCPOUELU-CZUORRHYSA-N -1 0 332.444 3.694 20 0 EHADRM O=C([O-])c1cncc(NC(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC001594816918 953870283 /nfs/dbraw/zinc/87/02/83/953870283.db2.gz RCZLNSUEKYDXRQ-OAHLLOKOSA-N -1 0 345.786 3.706 20 0 EHADRM O=C([O-])c1cccnc1NC(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC001594820696 953896842 /nfs/dbraw/zinc/89/68/42/953896842.db2.gz LHUGKQGMWYWMJN-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)c2ccccc2CCC(F)(F)F)CC1 ZINC000649363438 953993444 /nfs/dbraw/zinc/99/34/44/953993444.db2.gz SNLZKTCLOSLTHT-UHFFFAOYSA-N -1 0 343.345 3.508 20 0 EHADRM CC(C)c1ccc(OC2CCN(C(=O)[C@@H](C(=O)[O-])C(C)C)CC2)cc1 ZINC000649454010 953995208 /nfs/dbraw/zinc/99/52/08/953995208.db2.gz IBZUQBFRHFMWQK-SFHVURJKSA-N -1 0 347.455 3.537 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(Br)cc1C ZINC000653301271 954110920 /nfs/dbraw/zinc/11/09/20/954110920.db2.gz QSBJAAQMCKCWEB-UHFFFAOYSA-N -1 0 328.206 3.587 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)CCc2ccc(Cl)cc2)c2ccccc21 ZINC000653332581 954162778 /nfs/dbraw/zinc/16/27/78/954162778.db2.gz FOWDBLHKPIMFDL-IRXDYDNUSA-N -1 0 343.810 3.702 20 0 EHADRM Cc1ccc(CCN(CC(F)(F)F)C(=O)CCCCC(=O)[O-])cc1 ZINC000655548391 954198092 /nfs/dbraw/zinc/19/80/92/954198092.db2.gz BVMUJJCFHCXUPD-UHFFFAOYSA-N -1 0 345.361 3.573 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1occc1CSc1ccccc1)C(=O)[O-] ZINC000655575101 954212895 /nfs/dbraw/zinc/21/28/95/954212895.db2.gz ZGFMKYDBICOVFG-OAHLLOKOSA-N -1 0 347.436 3.659 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655579354 954216920 /nfs/dbraw/zinc/21/69/20/954216920.db2.gz NSZKTDJJFZGCCF-BFJAYTPKSA-N -1 0 349.446 3.646 20 0 EHADRM C[C@H](C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1cccc(Cl)c1 ZINC000655579256 954217608 /nfs/dbraw/zinc/21/76/08/954217608.db2.gz LUNKFFGVYPXHBO-LWWSYDQCSA-N -1 0 337.847 3.695 20 0 EHADRM C[C@@H](NC(=O)[C@@H](C)c1cccc(Cl)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655579255 954217644 /nfs/dbraw/zinc/21/76/44/954217644.db2.gz LUNKFFGVYPXHBO-IDTSFGKNSA-N -1 0 337.847 3.695 20 0 EHADRM C[C@@H](NC(=O)C[C@H](C)c1ccc(F)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655581017 954221640 /nfs/dbraw/zinc/22/16/40/954221640.db2.gz HZYFFTLCFYJGGA-SHUKQUCYSA-N -1 0 335.419 3.571 20 0 EHADRM C[C@H](CNC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1)C(=O)[O-] ZINC000655884684 954267173 /nfs/dbraw/zinc/26/71/73/954267173.db2.gz JJDHUYPUMHSDLG-DOMZBBRYSA-N -1 0 338.835 3.687 20 0 EHADRM CC(C)[C@@H](CNC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1)C(=O)[O-] ZINC000655890885 954270693 /nfs/dbraw/zinc/27/06/93/954270693.db2.gz UXPVITSJFBJNDC-HUUCEWRRSA-N -1 0 338.835 3.543 20 0 EHADRM C[C@H](NC(=O)N(C)[C@@H](C)C1CCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655904278 954286088 /nfs/dbraw/zinc/28/60/88/954286088.db2.gz SZJAKPCYANMUAL-DARAHFNDSA-N -1 0 338.492 3.732 20 0 EHADRM COc1cc(C)c(C)cc1NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656605018 954305127 /nfs/dbraw/zinc/30/51/27/954305127.db2.gz NJTJFJCYJCBQBU-MELADBBJSA-N -1 0 348.443 3.569 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N(Cc1ccccc1F)CC1CC1 ZINC000659199005 954312994 /nfs/dbraw/zinc/31/29/94/954312994.db2.gz BHXUPZLCOIXMND-UHFFFAOYSA-N -1 0 341.382 3.505 20 0 EHADRM C[C@@H](NC(=O)NCC1(C(=O)[O-])CCC1)c1ccc(F)c2ccccc21 ZINC000659402946 954328100 /nfs/dbraw/zinc/32/81/00/954328100.db2.gz LWWHGFGPMMTDKY-GFCCVEGCSA-N -1 0 344.386 3.594 20 0 EHADRM CN(CCC(=O)[O-])C(=O)c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC001593736434 954343135 /nfs/dbraw/zinc/34/31/35/954343135.db2.gz USFAAVUQIDZEDO-UHFFFAOYSA-N -1 0 341.285 3.512 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2ccc(Nc3ccccc3)nc2)CC=CCC1 ZINC001594870262 954346101 /nfs/dbraw/zinc/34/61/01/954346101.db2.gz CIDRTUMPNYNHLW-IBGZPJMESA-N -1 0 337.379 3.575 20 0 EHADRM O=C([O-])[C@H]1CN(Cc2ncc(Cl)cc2Cl)Cc2ccccc21 ZINC000662222341 954391379 /nfs/dbraw/zinc/39/13/79/954391379.db2.gz GLECAVSQHWVCSS-ZDUSSCGKSA-N -1 0 337.206 3.572 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2cccc(Oc3ccccc3)n2)CC=CCC1 ZINC001594878896 954400246 /nfs/dbraw/zinc/40/02/46/954400246.db2.gz XUAGMHMQTKIRBG-IBGZPJMESA-N -1 0 338.363 3.624 20 0 EHADRM CN(CCOc1ccccc1C(C)(C)C)C(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC001593754680 954442599 /nfs/dbraw/zinc/44/25/99/954442599.db2.gz VNIWIJQABJUNDH-INIZCTEOSA-N -1 0 349.471 3.568 20 0 EHADRM CN(Cc1cccc(C(F)(F)F)c1)C(=O)C1(C(=O)[O-])CCCCC1 ZINC001593761135 954494562 /nfs/dbraw/zinc/49/45/62/954494562.db2.gz VKRVGBGBOJBVHK-UHFFFAOYSA-N -1 0 343.345 3.699 20 0 EHADRM C[C@@H]1CSc2ccccc2N1C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001589408835 954495769 /nfs/dbraw/zinc/49/57/69/954495769.db2.gz OWAFNSDATAKJDX-GXMKHXEJSA-N -1 0 329.377 3.518 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCc2ccc(OC3CCCC3)cc2)cc1 ZINC000678991218 954587647 /nfs/dbraw/zinc/58/76/47/954587647.db2.gz UTMUELWKHBPAGF-UHFFFAOYSA-N -1 0 339.391 3.636 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)C2(C(=O)[O-])CCCCCC2)n1 ZINC001589464374 954887671 /nfs/dbraw/zinc/88/76/71/954887671.db2.gz OWZVNPZQBRTSGG-CYBMUJFWSA-N -1 0 334.416 3.623 20 0 EHADRM O=C([O-])[C@@H]1CN(Cc2cc3c(ccnc3Cl)o2)Cc2ccccc21 ZINC001594951608 954957170 /nfs/dbraw/zinc/95/71/70/954957170.db2.gz OQOXGMJYAWMJAN-OAHLLOKOSA-N -1 0 342.782 3.665 20 0 EHADRM O=C([O-])[C@@H]1CN(c2nc3cccc(F)c3s2)Cc2ccccc21 ZINC001594954514 954976588 /nfs/dbraw/zinc/97/65/88/954976588.db2.gz HPTOECMCSVDREU-GFCCVEGCSA-N -1 0 328.368 3.624 20 0 EHADRM CCC(CC)(CNC(=O)[C@@H](C)Oc1cccc2ccccc21)C(=O)[O-] ZINC001589481987 954983155 /nfs/dbraw/zinc/98/31/55/954983155.db2.gz SEJFKXKMDMZREO-CQSZACIVSA-N -1 0 343.423 3.614 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CC2(CCCC2)[C@@H]1c1ccco1)C(=O)[O-] ZINC001603009157 972060207 /nfs/dbraw/zinc/06/02/07/972060207.db2.gz WICYXKDPSNUPCY-ZBFHGGJFSA-N -1 0 348.443 3.653 20 0 EHADRM CCC(CC)(CNC(=O)c1cc2c(nc(C)cc2C)s1)C(=O)[O-] ZINC001589498070 955026220 /nfs/dbraw/zinc/02/62/20/955026220.db2.gz MGMYMUCTTSGTTR-UHFFFAOYSA-N -1 0 334.441 3.534 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)co1 ZINC001594967227 955070687 /nfs/dbraw/zinc/07/06/87/955070687.db2.gz ZYKYPHIIVKRYSX-LEXSJLIMSA-N -1 0 347.317 3.633 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)NCCC(C)(C)C(=O)[O-] ZINC001589006340 955364862 /nfs/dbraw/zinc/36/48/62/955364862.db2.gz DHIINNVGMPZQPV-CQSZACIVSA-N -1 0 334.460 3.543 20 0 EHADRM Cc1cccc(Oc2ncccc2NC(=O)CCCC(=O)[O-])c1C ZINC000844252261 955669683 /nfs/dbraw/zinc/66/96/83/955669683.db2.gz DLIKVQMPUHJQFA-UHFFFAOYSA-N -1 0 328.368 3.684 20 0 EHADRM CC(C)C[C@H](CNC(=O)/C=C\c1ccnc2ccccc12)CC(=O)[O-] ZINC000846124212 955687374 /nfs/dbraw/zinc/68/73/74/955687374.db2.gz NELCAFKDEMCUGE-LZNQSLFOSA-N -1 0 340.423 3.501 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)Nc2ncccc2C(=O)[O-])c1 ZINC001603054533 972122001 /nfs/dbraw/zinc/12/20/01/972122001.db2.gz ZBVJTACHPDKTMY-CYBMUJFWSA-N -1 0 326.396 3.721 20 0 EHADRM C[C@H](CNC(=O)c1cccc(C(=O)[O-])c1)c1nc2ccccc2s1 ZINC001589063485 955733268 /nfs/dbraw/zinc/73/32/68/955733268.db2.gz YYSJYTSGBLWZQD-LLVKDONJSA-N -1 0 340.404 3.528 20 0 EHADRM CC(C)[C@H](CNC(=O)c1sccc1-c1ccc(F)cc1)C(=O)[O-] ZINC000848451353 955737939 /nfs/dbraw/zinc/73/79/39/955737939.db2.gz HBHYIXDVWPHZCR-AWEZNQCLSA-N -1 0 335.400 3.641 20 0 EHADRM C[C@H](NC(=O)/C(F)=C\C1CCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848452246 955738800 /nfs/dbraw/zinc/73/88/00/955738800.db2.gz PFLUNGUBZNJYGT-LJEBLNJZSA-N -1 0 325.424 3.672 20 0 EHADRM C[C@H](Cc1ccccc1)n1cccc1C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001589080998 955854985 /nfs/dbraw/zinc/85/49/85/955854985.db2.gz ZREJUXFOTDBUQF-CQSZACIVSA-N -1 0 349.390 3.637 20 0 EHADRM C[C@@H](Cc1cncc2ccccc21)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001589082511 955869935 /nfs/dbraw/zinc/86/99/35/955869935.db2.gz ANWJYGMEUGHZPJ-AWEZNQCLSA-N -1 0 348.402 3.679 20 0 EHADRM CC(C)C[C@H](CNC(=O)/C=C\c1ccc2ccccc2n1)CC(=O)[O-] ZINC000852957162 955885722 /nfs/dbraw/zinc/88/57/22/955885722.db2.gz NMVFUEYFWVRWBI-KVPUOBJLSA-N -1 0 340.423 3.501 20 0 EHADRM CC(C)[C@H](NC(=O)Cc1coc2c1ccc(Cl)c2Cl)C(=O)[O-] ZINC000864098044 955928691 /nfs/dbraw/zinc/92/86/91/955928691.db2.gz AQTWHNOTOQHWLO-ZDUSSCGKSA-N -1 0 344.194 3.508 20 0 EHADRM CCOc1cccc(CCC(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC000864135998 955959416 /nfs/dbraw/zinc/95/94/16/955959416.db2.gz QNKMNNLDSNEVNS-UHFFFAOYSA-N -1 0 341.407 3.674 20 0 EHADRM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)/C=C/c2ccc(C(=O)[O-])o2)C1 ZINC000864137910 955960595 /nfs/dbraw/zinc/96/05/95/955960595.db2.gz OLMHOISVQARIJQ-CYSDVBINSA-N -1 0 343.354 3.740 20 0 EHADRM C[C@H]1CN(C(=O)Cc2cc(Cl)cc3ccccc32)CC[C@H]1C(=O)[O-] ZINC000864140883 955962909 /nfs/dbraw/zinc/96/29/09/955962909.db2.gz SMHXEUDWHCSGFG-BLLLJJGKSA-N -1 0 345.826 3.605 20 0 EHADRM C[C@H](NC(=O)CCSCc1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589095080 955979720 /nfs/dbraw/zinc/97/97/20/955979720.db2.gz OJKBCGLNJDTQMA-CWRNSKLLSA-N -1 0 349.496 3.562 20 0 EHADRM CC(C)Oc1cccc([C@H](C)NC(=O)C2(C(=O)[O-])CCCCC2)c1 ZINC001603081631 972155924 /nfs/dbraw/zinc/15/59/24/972155924.db2.gz ASRXKOMWSWSMJO-AWEZNQCLSA-N -1 0 333.428 3.686 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)[C@@]23C[C@@H]2CCCC3)CC1 ZINC000901550325 956334557 /nfs/dbraw/zinc/33/45/57/956334557.db2.gz BUWGRTIIQGZJJD-YWZLYKJASA-N -1 0 327.424 3.671 20 0 EHADRM COC[C@H](C)Oc1ccc(CNc2cccc(CCC(=O)[O-])c2)cc1 ZINC000901554984 956339533 /nfs/dbraw/zinc/33/95/33/956339533.db2.gz KDVRYYQAYKIBLB-HNNXBMFYSA-N -1 0 343.423 3.730 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCc1ccc(F)c2ccccc12 ZINC000901655009 956405448 /nfs/dbraw/zinc/40/54/48/956405448.db2.gz JUOIXTUXPYLBQP-UKRRQHHQSA-N -1 0 343.398 3.623 20 0 EHADRM C[C@@H](Oc1cccc2ccccc21)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001589167202 956429719 /nfs/dbraw/zinc/42/97/19/956429719.db2.gz INZZMBHUIQZODR-CQSZACIVSA-N -1 0 349.386 3.622 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)N[C@H](c2ccccc2)C2CCC2)co1 ZINC000901769495 956459242 /nfs/dbraw/zinc/45/92/42/956459242.db2.gz KSHQIGWVIBVTCW-HJCTWCACSA-N -1 0 325.364 3.649 20 0 EHADRM CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001589191383 956596270 /nfs/dbraw/zinc/59/62/70/956596270.db2.gz ZVNLUPIEHRQLEU-CABCVRRESA-N -1 0 338.492 3.735 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CCC[C@@](F)(c2ccccc2)C1 ZINC001589201463 956637037 /nfs/dbraw/zinc/63/70/37/956637037.db2.gz RYJPXABNWCUKKE-IBGZPJMESA-N -1 0 347.430 3.611 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)CC[C@@H]2CCc3ccccc32)Cc2ccccc21 ZINC000902068354 956637233 /nfs/dbraw/zinc/63/72/33/956637233.db2.gz AASUGAHZEPBKCG-JXFKEZNVSA-N -1 0 349.430 3.707 20 0 EHADRM CC1(C)CN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)[C@H]1c1cccs1 ZINC000902097559 956649298 /nfs/dbraw/zinc/64/92/98/956649298.db2.gz KKFFITORWQAOIS-VFADXPBXSA-N -1 0 331.393 3.662 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)/C=C\c2ccccc2C(F)(F)F)cc1 ZINC001594675255 956653642 /nfs/dbraw/zinc/65/36/42/956653642.db2.gz RWDSLXSXUOGWAW-KTKRTIGZSA-N -1 0 349.308 3.733 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)/C=C\c2csc(C(F)(F)F)c2)c1 ZINC001594676139 956666611 /nfs/dbraw/zinc/66/66/11/956666611.db2.gz XTDLGVSLSQVRQD-UPHRSURJSA-N -1 0 342.298 3.512 20 0 EHADRM C[C@H]1CN(C(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000902182039 956680277 /nfs/dbraw/zinc/68/02/77/956680277.db2.gz WKTXNKGNYKXBRY-DZJNRPSUSA-N -1 0 329.440 3.530 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCC(Cc2ccc(Cl)cc2)CC1 ZINC001589211418 956691525 /nfs/dbraw/zinc/69/15/25/956691525.db2.gz KXUHJXGAIAVRLR-IBGZPJMESA-N -1 0 349.858 3.622 20 0 EHADRM O=C([O-])CCCCC(=O)N[C@H](CCc1ccccc1)c1ccccn1 ZINC000902269074 956691836 /nfs/dbraw/zinc/69/18/36/956691836.db2.gz FEJMYFRMABVTPJ-GOSISDBHSA-N -1 0 340.423 3.517 20 0 EHADRM CC1(C)CC(CNC(=O)c2ccc(OCC(=O)[O-])cc2)CC(C)(C)C1 ZINC001589213753 956718751 /nfs/dbraw/zinc/71/87/51/956718751.db2.gz KQQJJQCMJVOWOD-UHFFFAOYSA-N -1 0 347.455 3.732 20 0 EHADRM CC1(C)C[C@@H](C(=O)N2CCCC[C@H]2CCC(=O)[O-])c2ccccc2O1 ZINC001589214050 956721158 /nfs/dbraw/zinc/72/11/58/956721158.db2.gz NABZJZVJNYNGMK-GOEBONIOSA-N -1 0 345.439 3.577 20 0 EHADRM O=C([O-])c1cccnc1NC(=O)CCSc1cccc(Cl)c1 ZINC001594687891 956721574 /nfs/dbraw/zinc/72/15/74/956721574.db2.gz OYNSZCNBMYAINP-UHFFFAOYSA-N -1 0 336.800 3.554 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1cccc(Cl)c1Br ZINC001589218150 956742210 /nfs/dbraw/zinc/74/22/10/956742210.db2.gz OQFNROSUXDULDO-ZDUSSCGKSA-N -1 0 346.608 3.542 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)CCc1ncc(-c2ccccc2)o1 ZINC001594690163 956744151 /nfs/dbraw/zinc/74/41/51/956744151.db2.gz WQKGSKTZZXGWPD-UHFFFAOYSA-N -1 0 342.376 3.673 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)CCc1cnc2ccccc2c1 ZINC001594690331 956746264 /nfs/dbraw/zinc/74/62/64/956746264.db2.gz LTJRUVBCEWQGCT-UHFFFAOYSA-N -1 0 326.377 3.566 20 0 EHADRM CC1(C)CC[C@H](C(=O)N2CC[C@H](C(=O)[O-])C2)[C@@H](c2ccccc2)C1 ZINC001589220396 956768291 /nfs/dbraw/zinc/76/82/91/956768291.db2.gz SWRQSQWMBJASLS-YESZJQIVSA-N -1 0 329.440 3.530 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccccc2C(=O)[O-])Cc2ccccc2O1 ZINC001589231258 956821460 /nfs/dbraw/zinc/82/14/60/956821460.db2.gz ASEHKZUBBXWWAQ-UHFFFAOYSA-N -1 0 340.379 3.590 20 0 EHADRM C[C@@H]1CN(c2ccc(NCc3ccc(C(=O)[O-])s3)cc2)C[C@@H](C)O1 ZINC000903673709 956854335 /nfs/dbraw/zinc/85/43/35/956854335.db2.gz DZVMSZCBDLZMFW-CHWSQXEVSA-N -1 0 346.452 3.672 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)Nc1csnc1-c1ccccc1 ZINC001594710093 956875118 /nfs/dbraw/zinc/87/51/18/956875118.db2.gz LDBIKDJASFMSSA-UHFFFAOYSA-N -1 0 338.388 3.690 20 0 EHADRM CCC1(NC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CCCCC1 ZINC000389424503 972223911 /nfs/dbraw/zinc/22/39/11/972223911.db2.gz CDAMHXMFUMWGSF-UHFFFAOYSA-N -1 0 326.343 3.897 20 0 EHADRM CCc1ccc([C@@H](C)NC(=O)COc2ccc(C)cc2C(=O)[O-])cc1 ZINC000013085904 956937528 /nfs/dbraw/zinc/93/75/28/956937528.db2.gz LJCUQENZPZWBGC-CQSZACIVSA-N -1 0 341.407 3.512 20 0 EHADRM O=C([O-])c1cccc(NC(=O)CSCc2cccc(Cl)c2)c1 ZINC000013094787 956945121 /nfs/dbraw/zinc/94/51/21/956945121.db2.gz ABZMOXXTUYUOBN-UHFFFAOYSA-N -1 0 335.812 3.910 20 0 EHADRM O=C([O-])c1cc(C(=O)N[C@@H](CC2CCCCC2)c2ccccc2)[nH]n1 ZINC001594718944 956948537 /nfs/dbraw/zinc/94/85/37/956948537.db2.gz FIRMWXWFECJGMZ-HNNXBMFYSA-N -1 0 341.411 3.549 20 0 EHADRM CCOc1ccc(SCC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000013166920 956948739 /nfs/dbraw/zinc/94/87/39/956948739.db2.gz CFPWMBHJKMWSCL-UHFFFAOYSA-N -1 0 331.393 3.514 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)CCSc2ccccc2)cc1 ZINC000013179457 956962176 /nfs/dbraw/zinc/96/21/76/956962176.db2.gz AHCSIOJJWZJCBL-KRWDZBQOSA-N -1 0 343.448 3.809 20 0 EHADRM O=C([O-])C1(NC(=O)[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)CCCCCC1 ZINC001594721493 956973503 /nfs/dbraw/zinc/97/35/03/956973503.db2.gz CJUNCGCGANVXKR-OWCLPIDISA-N -1 0 347.842 3.520 20 0 EHADRM COc1cc([C@H](C)NC(=O)CCCCC(=O)[O-])cc2ccccc21 ZINC000908222162 956984721 /nfs/dbraw/zinc/98/47/21/956984721.db2.gz RNJRWLXMMUGHNJ-ZDUSSCGKSA-N -1 0 329.396 3.671 20 0 EHADRM O=C([O-])CCCCC(=O)NCc1ccccc1SC(F)(F)F ZINC000908219794 956985313 /nfs/dbraw/zinc/98/53/13/956985313.db2.gz KKBMTMAUKTVSPV-UHFFFAOYSA-N -1 0 335.347 3.560 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)C2(Cc3cccs3)CCCCC2)C1 ZINC000908599096 956990191 /nfs/dbraw/zinc/99/01/91/956990191.db2.gz OLZDXJLWZFYPLL-AWEZNQCLSA-N -1 0 335.469 3.564 20 0 EHADRM CCCCCC[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000013250682 956991929 /nfs/dbraw/zinc/99/19/29/956991929.db2.gz XGFCAYHPCZHOBL-ZDUSSCGKSA-N -1 0 341.473 3.639 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)CCc2ccc(Cl)cc2)cc1 ZINC000013258310 956996341 /nfs/dbraw/zinc/99/63/41/956996341.db2.gz DPPVXWOQXYNTAF-KRWDZBQOSA-N -1 0 345.826 3.913 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000909157256 957006594 /nfs/dbraw/zinc/00/65/94/957006594.db2.gz LLUMLZBCRZRYAG-UHFFFAOYSA-N -1 0 333.428 3.627 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)c2ccc(F)c3occc32)c2ccccc21 ZINC001594727721 957020337 /nfs/dbraw/zinc/02/03/37/957020337.db2.gz UGHVAVAZLHDZMQ-ZBFHGGJFSA-N -1 0 339.322 3.615 20 0 EHADRM O=C([O-])c1ccc(NC(=O)COc2cccc(Cl)c2Cl)cc1 ZINC000013318250 957023632 /nfs/dbraw/zinc/02/36/32/957023632.db2.gz XLPFOWXMNQUDCO-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM CCc1ccc(CCC(=O)N2CCCc3c(C(=O)[O-])cccc32)cc1 ZINC000013390576 957045580 /nfs/dbraw/zinc/04/55/80/957045580.db2.gz UWHVMVDPZAHUOK-UHFFFAOYSA-N -1 0 337.419 3.859 20 0 EHADRM Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000013413038 957055506 /nfs/dbraw/zinc/05/55/06/957055506.db2.gz GFOLBVIRFPIDJO-CQSZACIVSA-N -1 0 327.380 3.716 20 0 EHADRM CCOc1ccc(C(C)=O)cc1COc1ccc(C(=O)[O-])cc1OC ZINC000013419880 957061614 /nfs/dbraw/zinc/06/16/14/957061614.db2.gz REKYZTOJIPEUCZ-UHFFFAOYSA-N -1 0 344.363 3.574 20 0 EHADRM CCCCOc1ccc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)cc1 ZINC000013449356 957088537 /nfs/dbraw/zinc/08/85/37/957088537.db2.gz HLZUMWYPSJLVRS-UHFFFAOYSA-N -1 0 339.391 3.767 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(-c2ccccc2)s1 ZINC001118114368 957158127 /nfs/dbraw/zinc/15/81/27/957158127.db2.gz CEKXRTWKPFULPC-GXTWGEPZSA-N -1 0 329.421 3.740 20 0 EHADRM C[C@H](c1ccccc1)N(C)C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001121843428 957220357 /nfs/dbraw/zinc/22/03/57/957220357.db2.gz JIMLWHGBFULLOL-BVGQSLNGSA-N -1 0 338.407 3.702 20 0 EHADRM Cn1c(Cl)c(Cl)cc1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000037404388 957275852 /nfs/dbraw/zinc/27/58/52/957275852.db2.gz GHYJZTMCTJZILC-UHFFFAOYSA-N -1 0 347.585 3.936 20 0 EHADRM O=C([O-])c1cccnc1SCc1csc(Br)c1 ZINC000037429479 957283321 /nfs/dbraw/zinc/28/33/21/957283321.db2.gz SEECYHLZRHLKMV-UHFFFAOYSA-N -1 0 330.228 3.896 20 0 EHADRM C[C@H](Oc1ccccc1Cl)C(=O)Nc1sccc1C(=O)[O-] ZINC000037450553 957292963 /nfs/dbraw/zinc/29/29/63/957292963.db2.gz GJMVRATXEUDDTE-QMMMGPOBSA-N -1 0 325.773 3.506 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccc(OCc2ccc(C(=O)[O-])o2)cc1 ZINC000038541801 957357339 /nfs/dbraw/zinc/35/73/39/957357339.db2.gz KUHNXNAMZDCXRQ-UHFFFAOYSA-N -1 0 333.340 3.904 20 0 EHADRM C[C@H](CNC(=O)C1(C(=O)[O-])CCCCCC1)c1ccc(F)cc1F ZINC001603167460 972265783 /nfs/dbraw/zinc/26/57/83/972265783.db2.gz CTHASQUIOZIQPM-GFCCVEGCSA-N -1 0 339.382 3.610 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CN(C)Cc1cc(Br)cs1 ZINC000051361608 957505007 /nfs/dbraw/zinc/50/50/07/957505007.db2.gz WBEZTWUVAHYZRW-UHFFFAOYSA-N -1 0 344.230 3.742 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)c1csc(-c2cccs2)n1 ZINC000390358946 972278304 /nfs/dbraw/zinc/27/83/04/972278304.db2.gz LNIMKPJLTLQNMD-UHFFFAOYSA-N -1 0 348.380 3.961 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2C)c1C ZINC000065844453 957639799 /nfs/dbraw/zinc/63/97/99/957639799.db2.gz OZLODPFFOSDBID-UHFFFAOYSA-N -1 0 347.436 3.728 20 0 EHADRM CCn1nc(C(C)C)cc1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000390469565 972287453 /nfs/dbraw/zinc/28/74/53/972287453.db2.gz ITPZJTJJNLPSHR-UHFFFAOYSA-N -1 0 335.791 3.630 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCCOc2ccccc2)ccc1Cl ZINC000075283359 957742124 /nfs/dbraw/zinc/74/21/24/957742124.db2.gz KGSQQNGPLWGZCM-UHFFFAOYSA-N -1 0 333.771 3.836 20 0 EHADRM O=C([O-])c1cccc(NC(=O)CCC(=O)c2ccc(Cl)cc2)c1 ZINC000075288793 957743610 /nfs/dbraw/zinc/74/36/10/957743610.db2.gz DMYAWLIIAWPVCC-UHFFFAOYSA-N -1 0 331.755 3.640 20 0 EHADRM Cc1cc(C(=O)Nc2sc3c(c2C(=O)[O-])CCC(C)(C)C3)on1 ZINC001594281464 957749072 /nfs/dbraw/zinc/74/90/72/957749072.db2.gz PAJYMJRDIUICEW-UHFFFAOYSA-N -1 0 334.397 3.510 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NCCCSc2ccccc2)c1 ZINC001594284755 957767727 /nfs/dbraw/zinc/76/77/27/957767727.db2.gz AUOBURYKWBQALQ-UHFFFAOYSA-N -1 0 329.421 3.605 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NCCC2CCC(F)(F)CC2)c1 ZINC001594285630 957774695 /nfs/dbraw/zinc/77/46/95/957774695.db2.gz IZAFAILOKNRKTI-UHFFFAOYSA-N -1 0 325.355 3.639 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@@H](Cc2ccccc2)C(C)C)c1 ZINC001594285825 957778875 /nfs/dbraw/zinc/77/88/75/957778875.db2.gz KJEGJEKWQBVADO-SFHVURJKSA-N -1 0 325.408 3.690 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N2CCCSc3ccccc32)o1 ZINC001574799590 957830650 /nfs/dbraw/zinc/83/06/50/957830650.db2.gz JEQXONVYGPTLJY-CLFYSBASSA-N -1 0 329.377 3.520 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC001574810489 957875761 /nfs/dbraw/zinc/87/57/61/957875761.db2.gz HLBITDXHYWJYMR-FUHWJXTLSA-N -1 0 337.419 3.660 20 0 EHADRM CC(C)c1ccc(C[C@@H](C)NC(=O)Nc2cncc(C(=O)[O-])c2)cc1 ZINC001603199441 972302558 /nfs/dbraw/zinc/30/25/58/972302558.db2.gz COKISANWYXUXMU-CYBMUJFWSA-N -1 0 341.411 3.656 20 0 EHADRM Cc1cc(C)cc([C@@H](C)NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC001340476743 957920587 /nfs/dbraw/zinc/92/05/87/957920587.db2.gz KXCYJGYBXREEII-HZPDHXFCSA-N -1 0 332.444 3.651 20 0 EHADRM C[C@@](Cc1ccccc1)(NC(=O)CCCC(=O)[O-])c1ccccc1 ZINC001603199819 972304931 /nfs/dbraw/zinc/30/49/31/972304931.db2.gz NJCIAFFVDUPEFB-FQEVSTJZSA-N -1 0 325.408 3.516 20 0 EHADRM C[C@H](c1ccccc1)[C@H](C)NC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC001343038817 958020405 /nfs/dbraw/zinc/02/04/05/958020405.db2.gz USGCIVIAJLLHLG-YQQAZPJKSA-N -1 0 332.444 3.608 20 0 EHADRM CC(C)(C)[C@H]1CCN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C1 ZINC000391166278 972321432 /nfs/dbraw/zinc/32/14/32/972321432.db2.gz DHTMRVJVRFCDFE-VIFPVBQESA-N -1 0 326.343 3.563 20 0 EHADRM COc1cc(NC(=O)Cc2ccccc2C(=O)[O-])cc2ccccc21 ZINC001594064318 958125585 /nfs/dbraw/zinc/12/55/85/958125585.db2.gz ZSCAWYRZYGMYND-UHFFFAOYSA-N -1 0 335.359 3.728 20 0 EHADRM CC(C)(NC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1cccs1 ZINC001353155693 958150082 /nfs/dbraw/zinc/15/00/82/958150082.db2.gz LTVYITUJHLJTAB-UONOGXRCSA-N -1 0 344.436 3.596 20 0 EHADRM C[C@@H](Sc1ccc(Br)cn1)c1ccc(C(=O)[O-])o1 ZINC000091779520 958152512 /nfs/dbraw/zinc/15/25/12/958152512.db2.gz ASISQLSSLUWJCF-SSDOTTSWSA-N -1 0 328.187 3.989 20 0 EHADRM O=C([O-])CC1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000093680098 958248646 /nfs/dbraw/zinc/24/86/46/958248646.db2.gz NSDCWCXKPVTKCE-UHFFFAOYSA-N -1 0 331.199 3.712 20 0 EHADRM COc1ccc(C2CC2)c(NC(=O)c2coc(/C=C/C(=O)[O-])c2)c1 ZINC001594085253 958304962 /nfs/dbraw/zinc/30/49/62/958304962.db2.gz HTQLKAZQLMIELS-FNORWQNLSA-N -1 0 327.336 3.516 20 0 EHADRM Cc1ccc(C(C)(C)CN(C)C(=O)Nc2cc(C(=O)[O-])ccn2)cc1 ZINC001594350008 958342483 /nfs/dbraw/zinc/34/24/83/958342483.db2.gz SJPAXPHDKSPCIE-UHFFFAOYSA-N -1 0 341.411 3.530 20 0 EHADRM Cc1ccc(C2(NC(=O)NCc3cccc(C(=O)[O-])c3)CCC2)cc1 ZINC001594353130 958377570 /nfs/dbraw/zinc/37/75/70/958377570.db2.gz FCBZUVCUVATQLH-UHFFFAOYSA-N -1 0 338.407 3.572 20 0 EHADRM Cc1ccc(C)n1-c1sccc1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001594353265 958380036 /nfs/dbraw/zinc/38/00/36/958380036.db2.gz MOWULNBZFIVQJD-UHFFFAOYSA-N -1 0 341.392 3.501 20 0 EHADRM Cc1ccc(C2(CNC(=O)[C@@H](C(=O)[O-])C(C)(C)C)CCC2)cc1C ZINC001594353525 958385372 /nfs/dbraw/zinc/38/53/72/958385372.db2.gz QTEIXQLNADQHSP-INIZCTEOSA-N -1 0 331.456 3.588 20 0 EHADRM Cc1ccc(Cl)c(NC(=O)NCc2ccccc2CC(=O)[O-])c1 ZINC000391552765 972345798 /nfs/dbraw/zinc/34/57/98/972345798.db2.gz UNJKMIZATYFZIQ-UHFFFAOYSA-N -1 0 332.787 3.597 20 0 EHADRM CC[C@H](Oc1ccccc1F)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000120226465 958469518 /nfs/dbraw/zinc/46/95/18/958469518.db2.gz ZDOWOPQYXKMIRR-HNNXBMFYSA-N -1 0 331.343 3.628 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1OCC1CC1 ZINC000120216237 958470199 /nfs/dbraw/zinc/47/01/99/958470199.db2.gz YJHKHYQERWNPGC-UHFFFAOYSA-N -1 0 325.364 3.734 20 0 EHADRM COc1ccc(NC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)c2ccccc12 ZINC001594106908 958478123 /nfs/dbraw/zinc/47/81/23/958478123.db2.gz ZXSNMOALSSDCGP-OLZOCXBDSA-N -1 0 342.395 3.565 20 0 EHADRM Cc1ccc(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1OC(C)C ZINC001594368875 958520880 /nfs/dbraw/zinc/52/08/80/958520880.db2.gz CBBRVGIIOWOZAY-CLFYSBASSA-N -1 0 329.352 3.725 20 0 EHADRM Cc1ccc(NCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)c(F)c1 ZINC001594373238 958560920 /nfs/dbraw/zinc/56/09/20/958560920.db2.gz KHRMHUPOBZPGSR-CYBMUJFWSA-N -1 0 332.375 3.640 20 0 EHADRM CCC1CCC(NC(=O)c2cccc(C(F)(F)F)c2)(C(=O)[O-])CC1 ZINC000391715325 972360445 /nfs/dbraw/zinc/36/04/45/972360445.db2.gz OONCFWDDDDSRGI-UHFFFAOYSA-N -1 0 343.345 3.859 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001594381659 958632588 /nfs/dbraw/zinc/63/25/88/958632588.db2.gz VDAFSJCMAHYCGC-VHDGCEQUSA-N -1 0 342.439 3.650 20 0 EHADRM COc1cccc(CC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1Cl ZINC001594126001 958638571 /nfs/dbraw/zinc/63/85/71/958638571.db2.gz DLUUSPXPKLLQOG-UHFFFAOYSA-N -1 0 333.771 3.536 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)NCc1ccccc1C(=O)[O-])CCC2 ZINC001594382008 958639045 /nfs/dbraw/zinc/63/90/45/958639045.db2.gz LWVOQSZYHFNXJA-SFHVURJKSA-N -1 0 338.407 3.570 20 0 EHADRM Cc1ccc2cc(C(=O)N[C@@H]3C[C@@H](C(=O)[O-])c4ccccc43)ccc2n1 ZINC001594382217 958643772 /nfs/dbraw/zinc/64/37/72/958643772.db2.gz RQZFZLQRVHKLTK-IEBWSBKVSA-N -1 0 346.386 3.586 20 0 EHADRM CC(C)(C)C1CCC(CNC(=O)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC001573391709 958705216 /nfs/dbraw/zinc/70/52/16/958705216.db2.gz WZJUIAOVFSCPTI-UHFFFAOYSA-N -1 0 347.455 3.732 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)CCc1cncc2ccccc21)C(=O)[O-] ZINC001573395805 958716970 /nfs/dbraw/zinc/71/69/70/958716970.db2.gz PLYKUBQJRBBXNC-KRWDZBQOSA-N -1 0 342.439 3.563 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2cc(C)cc3c(C)ccnc23)C(=O)[O-])c1 ZINC001594392184 958741390 /nfs/dbraw/zinc/74/13/90/958741390.db2.gz FIXVDHUGCDSAMQ-GOSISDBHSA-N -1 0 348.402 3.716 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)c(F)cc1F ZINC000391798665 972375582 /nfs/dbraw/zinc/37/55/82/972375582.db2.gz ATXRGALLPSPIOM-UHFFFAOYSA-N -1 0 327.233 3.502 20 0 EHADRM Cc1cccc([C@@H](NCc2nc3ccc(F)cc3s2)C(=O)[O-])c1 ZINC001594397553 958782830 /nfs/dbraw/zinc/78/28/30/958782830.db2.gz IWWWBVZHQOEEDW-MRXNPFEDSA-N -1 0 330.384 3.659 20 0 EHADRM Cc1cccc([C@@H](NCc2ccc(-c3ncco3)cc2F)C(=O)[O-])c1 ZINC001594397881 958790057 /nfs/dbraw/zinc/79/00/57/958790057.db2.gz NVGUFPOQRYFKKA-QGZVFWFLSA-N -1 0 340.354 3.705 20 0 EHADRM Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000391814585 972378276 /nfs/dbraw/zinc/37/82/76/972378276.db2.gz PJROQRZEVVMBAT-UHFFFAOYSA-N -1 0 346.339 3.801 20 0 EHADRM CC[C@H]1CCC[C@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000391839153 972381350 /nfs/dbraw/zinc/38/13/50/972381350.db2.gz URJDKRGBGRBRDA-UWVGGRQHSA-N -1 0 326.343 3.753 20 0 EHADRM CC(=O)Oc1ccc(NC(=O)c2cccc(C(=O)[O-])c2)c2ccccc12 ZINC001588527236 958872281 /nfs/dbraw/zinc/87/22/81/958872281.db2.gz VWVVPJWXFIZOTA-UHFFFAOYSA-N -1 0 349.342 3.716 20 0 EHADRM Cc1sc(N(C)Cc2cc(Br)cs2)nc1C(=O)[O-] ZINC000137239866 958918272 /nfs/dbraw/zinc/91/82/72/958918272.db2.gz PGXDWAGMMKQCMJ-UHFFFAOYSA-N -1 0 347.259 3.610 20 0 EHADRM CC(C)(C)c1ccc(CNC(=O)/C=C/c2ccc(C(=O)[O-])o2)s1 ZINC001573463014 958923757 /nfs/dbraw/zinc/92/37/57/958923757.db2.gz VICJNDXIDIXBNW-WEVVVXLNSA-N -1 0 333.409 3.666 20 0 EHADRM CC(C)(NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccc(Cl)cc1 ZINC001573478726 958971577 /nfs/dbraw/zinc/97/15/77/958971577.db2.gz ZSWWWHHOAFLCIX-CSKARUKUSA-N -1 0 333.771 3.696 20 0 EHADRM Cc1ccc(OCCC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1C ZINC000391924077 972391060 /nfs/dbraw/zinc/39/10/60/972391060.db2.gz CTRQVLAVXJSHDH-UHFFFAOYSA-N -1 0 331.343 3.548 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)c2ccc3ncccc3c2)c1 ZINC000145386558 958992153 /nfs/dbraw/zinc/99/21/53/958992153.db2.gz WGKJBZJTRQMFHF-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)O[C@@H]1CCOc2cc(Cl)cc(Cl)c21 ZINC001573490100 959013512 /nfs/dbraw/zinc/01/35/12/959013512.db2.gz NVCSOZAFNCSYFJ-PWSUYJOCSA-N -1 0 347.194 3.717 20 0 EHADRM C[C@@H](C(=O)Nc1ncccc1C(=O)[O-])c1ccccc1C(F)(F)F ZINC001588562515 959107064 /nfs/dbraw/zinc/10/70/64/959107064.db2.gz KICWMRUBFFCHMI-SECBINFHSA-N -1 0 338.285 3.541 20 0 EHADRM Cc1cnc(C2CCN(C(=O)Nc3cccc(C(=O)[O-])c3)CC2)s1 ZINC001594427207 959134991 /nfs/dbraw/zinc/13/49/91/959134991.db2.gz HIFXYBKQKDXCFL-UHFFFAOYSA-N -1 0 345.424 3.561 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1(C)C ZINC001588565518 959138612 /nfs/dbraw/zinc/13/86/12/959138612.db2.gz UMOOKTJKSVWMRR-ZWNOBZJWSA-N -1 0 343.345 3.521 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1(C)C ZINC001588565517 959139329 /nfs/dbraw/zinc/13/93/29/959139329.db2.gz UMOOKTJKSVWMRR-MFKMUULPSA-N -1 0 343.345 3.521 20 0 EHADRM COc1ccc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c(C(=O)[O-])c1 ZINC000392057583 972404905 /nfs/dbraw/zinc/40/49/05/972404905.db2.gz MDZKAYLKSOHFKR-MGPQQGTHSA-N -1 0 331.412 3.938 20 0 EHADRM CC(C)Cc1ccc(CCCC(=O)N2CCCC[C@H]2C(=O)[O-])cc1 ZINC001573539528 959186014 /nfs/dbraw/zinc/18/60/14/959186014.db2.gz PYLAADVWLPJJDK-SFHVURJKSA-N -1 0 331.456 3.674 20 0 EHADRM CSCC[C@@H](C)N(C)C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000161762749 959192085 /nfs/dbraw/zinc/19/20/85/959192085.db2.gz JBKUAJLWFXHFLN-SECBINFHSA-N -1 0 330.837 3.644 20 0 EHADRM CC(C)Cn1cc(C(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])c2ccccc21 ZINC001573543450 959193707 /nfs/dbraw/zinc/19/37/07/959193707.db2.gz FEJYHSBAWTUQLG-KSSFIOAISA-N -1 0 342.439 3.623 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)Nc1ccc(Oc2ccnc3ccccc32)cc1 ZINC001588575540 959221512 /nfs/dbraw/zinc/22/15/12/959221512.db2.gz PDYJFRMNJPKCTM-GFCCVEGCSA-N -1 0 336.347 3.686 20 0 EHADRM COc1ccccc1CN(C)C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000392146034 972415791 /nfs/dbraw/zinc/41/57/91/972415791.db2.gz VDFQSMFNRWLZRI-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)Cc1ccc(C2CCCCC2)cc1)C1CC1 ZINC001588584832 959295881 /nfs/dbraw/zinc/29/58/81/959295881.db2.gz NYPARXGCKIVPGK-CQSZACIVSA-N -1 0 329.440 3.741 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)Nc1ncc(Cl)cc1-c1ccc(Cl)cc1 ZINC001588584954 959297230 /nfs/dbraw/zinc/29/72/30/959297230.db2.gz JKQXUJUWGGYFSN-QMMMGPOBSA-N -1 0 339.178 3.715 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CCCC(=O)c1ccccc1 ZINC000170583411 959419149 /nfs/dbraw/zinc/41/91/49/959419149.db2.gz LATVRVKPGLTRCG-UHFFFAOYSA-N -1 0 325.364 3.685 20 0 EHADRM CC(C)COc1cccc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000177470872 959421869 /nfs/dbraw/zinc/42/18/69/959421869.db2.gz RVRMSAUJRLYXQD-QGZVFWFLSA-N -1 0 339.391 3.550 20 0 EHADRM CC(C)c1ccc([C@H](NC(=O)CCC(=O)[O-])c2cccs2)cc1 ZINC000179075536 959433538 /nfs/dbraw/zinc/43/35/38/959433538.db2.gz JNQKRGYRPJPJLM-SFHVURJKSA-N -1 0 331.437 3.942 20 0 EHADRM CC(C)CC(=O)Nc1ccc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000179953328 959435265 /nfs/dbraw/zinc/43/52/65/959435265.db2.gz FKILNCXMQUNVCK-KBPBESRZSA-N -1 0 346.427 3.501 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)c3cc(C(=O)[O-])co3)cc2)cs1 ZINC000183754804 959447059 /nfs/dbraw/zinc/44/70/59/959447059.db2.gz UCJINEIKEVRTFA-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM O=C([O-])c1coc(C(=O)Nc2ccccc2COc2ccccc2)c1 ZINC000183808550 959452276 /nfs/dbraw/zinc/45/22/76/959452276.db2.gz MMPYRJKIVRBQNG-UHFFFAOYSA-N -1 0 337.331 3.809 20 0 EHADRM C[C@@H](Cn1ccc2ccccc21)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001573610812 959479265 /nfs/dbraw/zinc/47/92/65/959479265.db2.gz KJMQZFSSJIKFIE-RDJZCZTQSA-N -1 0 342.439 3.523 20 0 EHADRM Cc1nc2ccccc2cc1C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001594464731 959501945 /nfs/dbraw/zinc/50/19/45/959501945.db2.gz QWEMDXXWOZSTPH-MRXNPFEDSA-N -1 0 328.412 3.553 20 0 EHADRM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])cn1 ZINC000190626338 959516703 /nfs/dbraw/zinc/51/67/03/959516703.db2.gz PGVPCEMTNKRSAA-SJLPKXTDSA-N -1 0 338.407 3.578 20 0 EHADRM O=C([O-])[C@@H]1Cc2ccccc2N(C(=O)c2cc3c(s2)CCCC3)C1 ZINC000392267284 972435971 /nfs/dbraw/zinc/43/59/71/972435971.db2.gz INYXFLNTJYYHEA-CQSZACIVSA-N -1 0 341.432 3.531 20 0 EHADRM Cc1nc(C(=O)Nc2cc(C(=O)[O-])ccc2C)c(-c2ccccc2)o1 ZINC000190873066 959526757 /nfs/dbraw/zinc/52/67/57/959526757.db2.gz JVLSUHNVNIUKFX-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM CC(C)[C@@H]1CCCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC000392269758 972436753 /nfs/dbraw/zinc/43/67/53/972436753.db2.gz KBBNDUNEIYCLKV-LLVKDONJSA-N -1 0 340.370 3.953 20 0 EHADRM CCCCC[C@@H](NC(=O)c1ccc(C)cc1Br)C(=O)[O-] ZINC000191086216 959539518 /nfs/dbraw/zinc/53/95/18/959539518.db2.gz RJDOJMKFCYKGBY-CYBMUJFWSA-N -1 0 342.233 3.521 20 0 EHADRM CCn1cc(C(=O)N(C)C2(C(=O)[O-])CCCCC2)c2ccccc21 ZINC000191289667 959549436 /nfs/dbraw/zinc/54/94/36/959549436.db2.gz NVZHOBASVXJQLT-UHFFFAOYSA-N -1 0 328.412 3.521 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)[C@@H](C)Cc2ccccc2)cc1)C(=O)[O-] ZINC000191401531 959560025 /nfs/dbraw/zinc/56/00/25/959560025.db2.gz LRHKTMTZEONTOA-GJZGRUSLSA-N -1 0 325.408 3.767 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)CCCc2ccccc2)cc1)C(=O)[O-] ZINC000191430913 959566114 /nfs/dbraw/zinc/56/61/14/959566114.db2.gz LIIRIPHXLOYVFT-HNNXBMFYSA-N -1 0 325.408 3.911 20 0 EHADRM C[C@H](OC(=O)C1(C(=O)[O-])CCCCCC1)c1nc2ccccc2n1C ZINC001573634606 959581687 /nfs/dbraw/zinc/58/16/87/959581687.db2.gz GXUUGXUBGULDNR-ZDUSSCGKSA-N -1 0 344.411 3.603 20 0 EHADRM CCC[C@H](C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000193066963 959609572 /nfs/dbraw/zinc/60/95/72/959609572.db2.gz IQWPGTFPFQWYJK-GHTZIAJQSA-N -1 0 339.435 3.729 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC001573655877 959669663 /nfs/dbraw/zinc/66/96/63/959669663.db2.gz LSQUIKDJUBSYHJ-HOTGVXAUSA-N -1 0 343.467 3.651 20 0 EHADRM CC(C)(C)C1CCC(CNC(=O)C2(C(=O)[O-])CCSCC2)CC1 ZINC001588643051 959711947 /nfs/dbraw/zinc/71/19/47/959711947.db2.gz KOFDKQGAMLTIMH-UHFFFAOYSA-N -1 0 341.517 3.553 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)c1ccn(Cc2ccccc2)c1)C(=O)[O-] ZINC001588649394 959751579 /nfs/dbraw/zinc/75/15/79/959751579.db2.gz TZCRZKJUAQXJRM-KRWDZBQOSA-N -1 0 342.439 3.546 20 0 EHADRM C[C@]1(c2cccc(F)c2)CCN(C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC001573689295 959754450 /nfs/dbraw/zinc/75/44/50/959754450.db2.gz GFQGTNOSAHSKFM-IBGZPJMESA-N -1 0 342.370 3.719 20 0 EHADRM COc1cccc(COc2cc(Br)cc(C(=O)[O-])c2)c1 ZINC000227681697 959965541 /nfs/dbraw/zinc/96/55/41/959965541.db2.gz DQTWULHGUKMPLS-UHFFFAOYSA-N -1 0 337.169 3.735 20 0 EHADRM C[C@@H](OC(=O)C1(C(=O)[O-])CCC1)c1ccc(F)c(C(F)(F)F)c1 ZINC001603271385 972481448 /nfs/dbraw/zinc/48/14/48/972481448.db2.gz HJMQLCYXCZQFNT-MRVPVSSYSA-N -1 0 334.265 3.704 20 0 EHADRM Cc1cc(Br)cc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000232048122 960241789 /nfs/dbraw/zinc/24/17/89/960241789.db2.gz CHTJMMYTAGHIKV-MNOVXSKESA-N -1 0 340.217 3.587 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)c1cccc(OC2CCCC2)c1 ZINC001588653937 960405840 /nfs/dbraw/zinc/40/58/40/960405840.db2.gz JVNHYXLKHBIJOA-UHFFFAOYSA-N -1 0 333.428 3.581 20 0 EHADRM C[C@H]1CSCCCN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001573746273 960495247 /nfs/dbraw/zinc/49/52/47/960495247.db2.gz JKWZAJKVJYWPBD-QMMMGPOBSA-N -1 0 346.811 3.537 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)/C(C)=C/c1c(Cl)cccc1Cl ZINC001573757894 960575778 /nfs/dbraw/zinc/57/57/78/960575778.db2.gz GLRBUXSBUSYFAZ-XEHSLEBBSA-N -1 0 330.211 3.718 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)c1cc(Cl)ncc1Cl ZINC000236453186 960625661 /nfs/dbraw/zinc/62/56/61/960625661.db2.gz GPXIUPACAWAEPJ-UHFFFAOYSA-N -1 0 345.569 3.992 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)c1ccoc1Br ZINC000236453622 960626309 /nfs/dbraw/zinc/62/63/09/960626309.db2.gz LZACCGGANDIPDQ-UHFFFAOYSA-N -1 0 344.548 3.646 20 0 EHADRM CC(C)[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000392811205 972525630 /nfs/dbraw/zinc/52/56/30/972525630.db2.gz XMKOHSQTZJOORK-CMPLNLGQSA-N -1 0 340.370 3.999 20 0 EHADRM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC001261517534 960741546 /nfs/dbraw/zinc/74/15/46/960741546.db2.gz UEDDUOGVJHOCHY-JOYOIKCWSA-N -1 0 341.816 3.827 20 0 EHADRM Cc1ccccc1[C@H]1CN([C@@H](C(=O)[O-])c2ccccc2Cl)CCO1 ZINC001261516994 960742524 /nfs/dbraw/zinc/74/25/24/960742524.db2.gz GFDCGDCQJYRGEB-QZTJIDSGSA-N -1 0 345.826 3.848 20 0 EHADRM CC(C)Oc1cccc([C@H](C)NC(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000236774671 960755452 /nfs/dbraw/zinc/75/54/52/960755452.db2.gz QKDCUOOXXSFMPU-ZDUSSCGKSA-N -1 0 327.380 3.663 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NC2(C(F)(F)F)CCCCC2)c1 ZINC001574314848 960774875 /nfs/dbraw/zinc/77/48/75/960774875.db2.gz CJHFGZPJLCHQOG-UHFFFAOYSA-N -1 0 329.318 3.688 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCCc3cc(F)cc(C)c32)c1 ZINC001574315116 960780293 /nfs/dbraw/zinc/78/02/93/960780293.db2.gz KAAXJNWNYULWLC-UHFFFAOYSA-N -1 0 327.355 3.734 20 0 EHADRM CC(C)c1cccc(NC(=O)c2cc(C(=O)[O-])nn2-c2ccccc2)c1 ZINC000236864255 960781711 /nfs/dbraw/zinc/78/17/11/960781711.db2.gz VUCUZMRLVGVGIG-UHFFFAOYSA-N -1 0 349.390 3.946 20 0 EHADRM CCC[C@@H](NC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000236878834 960786745 /nfs/dbraw/zinc/78/67/45/960786745.db2.gz KEWHFWWPUXOXCF-RPTYSRGTSA-N -1 0 349.736 3.742 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N(CC(=O)[O-])[C@@H](C)CC)o2)cc1 ZINC000236936277 960803271 /nfs/dbraw/zinc/80/32/71/960803271.db2.gz FSCKEIPPIWIWFD-ZDUSSCGKSA-N -1 0 329.396 3.834 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1sc(-c2cccs2)nc1C ZINC000236948401 960808436 /nfs/dbraw/zinc/80/84/36/960808436.db2.gz SDYJVFAUKRQJRF-VIFPVBQESA-N -1 0 338.454 3.505 20 0 EHADRM CCN(C(=O)c1ccc(C(=O)[O-])cn1)[C@@H](C)c1cc2ccccc2o1 ZINC000237030644 960845095 /nfs/dbraw/zinc/84/50/95/960845095.db2.gz BBFOBGKFFSPDQJ-LBPRGKRZSA-N -1 0 338.363 3.749 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000237047124 960855194 /nfs/dbraw/zinc/85/51/94/960855194.db2.gz XQPLERCIUCCHPO-IBGZPJMESA-N -1 0 327.380 3.852 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cc2ccccc2s1 ZINC000237066932 960862043 /nfs/dbraw/zinc/86/20/43/960862043.db2.gz NBUIMLSIMPUJLP-UHFFFAOYSA-N -1 0 325.389 3.872 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000237101104 960869655 /nfs/dbraw/zinc/86/96/55/960869655.db2.gz IOGZNBXWERELJH-BDJLRTHQSA-N -1 0 345.361 3.959 20 0 EHADRM CCc1ccc(CCC(=O)Nc2ccc(OCCC(=O)[O-])cc2)cc1 ZINC000237167604 960882004 /nfs/dbraw/zinc/88/20/04/960882004.db2.gz YKDQLNIRXHTZCA-UHFFFAOYSA-N -1 0 341.407 3.674 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl ZINC000237282405 960903856 /nfs/dbraw/zinc/90/38/56/960903856.db2.gz UWGJCDXZQHQFFM-QPJJXVBHSA-N -1 0 349.736 3.695 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N(CC(=O)[O-])Cc2ccccc2)c1 ZINC000237330534 960908735 /nfs/dbraw/zinc/90/87/35/960908735.db2.gz ODWQASDEFMAMMP-UHFFFAOYSA-N -1 0 349.839 3.789 20 0 EHADRM COc1ccc2oc(C)c(C(=O)NCCCCCCC(=O)[O-])c2c1 ZINC000237341718 960914055 /nfs/dbraw/zinc/91/40/55/960914055.db2.gz FWJMHEAEYLPPAS-UHFFFAOYSA-N -1 0 333.384 3.515 20 0 EHADRM CC[C@@H](Sc1nnc(-c2cccc(Cl)c2)n1CC)C(=O)[O-] ZINC001573813350 960914451 /nfs/dbraw/zinc/91/44/51/960914451.db2.gz MARKIAUAXCPGBS-LLVKDONJSA-N -1 0 325.821 3.574 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N[C@@H]1CCCc2occc21)C(=O)[O-] ZINC000237380871 960922470 /nfs/dbraw/zinc/92/24/70/960922470.db2.gz AKRIORGXFCCJST-BXUZGUMPSA-N -1 0 345.420 3.652 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(Cn2cccc2)cc1 ZINC001319536108 960951458 /nfs/dbraw/zinc/95/14/58/960951458.db2.gz VAWONAWDHQFCKM-UHFFFAOYSA-N -1 0 334.375 3.795 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000237523092 960953107 /nfs/dbraw/zinc/95/31/07/960953107.db2.gz AVKXEMHMXFTRAT-JSGCOSHPSA-N -1 0 349.477 3.702 20 0 EHADRM C[C@H](CN(C)C(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2)C(=O)[O-] ZINC000237577275 960965079 /nfs/dbraw/zinc/96/50/79/960965079.db2.gz GXCHBLYVDFFFCX-YPMHNXCESA-N -1 0 337.485 3.692 20 0 EHADRM Cc1cc2sc(NC(=O)c3ccc(C(=O)[O-])cc3)nc2cc1F ZINC001574347723 960973505 /nfs/dbraw/zinc/97/35/05/960973505.db2.gz LYDVQPRWYFXGPC-UHFFFAOYSA-N -1 0 330.340 3.694 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1cnc2onc(C(C)C)c2c1 ZINC001321147012 960997871 /nfs/dbraw/zinc/99/78/71/960997871.db2.gz XBXHVUUMRLWNNT-UHFFFAOYSA-N -1 0 339.351 3.605 20 0 EHADRM Cc1sc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1-c1ccc(F)cc1 ZINC000237697617 961000562 /nfs/dbraw/zinc/00/05/62/961000562.db2.gz QIUPGXQSIQWLLF-SFHVURJKSA-N -1 0 347.411 3.799 20 0 EHADRM Cc1nc(-c2ccccc2)ccc1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000237702731 961001115 /nfs/dbraw/zinc/00/11/15/961001115.db2.gz NFRQXMVYUOGVCX-UHFFFAOYSA-N -1 0 346.386 3.685 20 0 EHADRM Cc1ccc(CCCC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC000237706104 961002745 /nfs/dbraw/zinc/00/27/45/961002745.db2.gz PCENJEUPXSDIBP-BZSNNMDCSA-N -1 0 329.440 3.562 20 0 EHADRM C[C@H]1CC[C@H](CCC(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)O1 ZINC000237710709 961005716 /nfs/dbraw/zinc/00/57/16/961005716.db2.gz DIVRTNUKFDKKPO-GXFFZTMASA-N -1 0 333.409 3.886 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC001573830226 961011510 /nfs/dbraw/zinc/01/15/10/961011510.db2.gz OFRNSGGQJWDYIS-KDOFPFPSSA-N -1 0 345.439 3.649 20 0 EHADRM Cc1ccc(C2=CCN(C(=O)[C@H](C(=O)[O-])C3CCCC3)CC2)cc1 ZINC001574360492 961024087 /nfs/dbraw/zinc/02/40/87/961024087.db2.gz BXSLFHAGERQGLW-GOSISDBHSA-N -1 0 327.424 3.502 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001324715316 961042124 /nfs/dbraw/zinc/04/21/24/961042124.db2.gz CWQVOWHAINKILJ-INIZCTEOSA-N -1 0 329.396 3.966 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CC/C=C/c1ccccc1 ZINC000237965121 961056731 /nfs/dbraw/zinc/05/67/31/961056731.db2.gz KNAJEGPWUQEAFK-KEXAIVOYSA-N -1 0 327.424 3.724 20 0 EHADRM CCC[C@@H](Cc1ccccc1)NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001573836573 961058889 /nfs/dbraw/zinc/05/88/89/961058889.db2.gz VGSASMSPUJMXDO-WQTVUKCASA-N -1 0 327.380 3.519 20 0 EHADRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)CCCCCc1cccs1 ZINC000237985216 961065267 /nfs/dbraw/zinc/06/52/67/961065267.db2.gz QWMZWRHECAAGCH-KRWDZBQOSA-N -1 0 345.464 3.663 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC(CCc3ccccc3)CC2)cc1 ZINC000237985917 961066141 /nfs/dbraw/zinc/06/61/41/961066141.db2.gz WEDWPMKFRZDCBB-UHFFFAOYSA-N -1 0 337.419 3.870 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cnn(C2CCCCC2)c1 ZINC001326186918 961074198 /nfs/dbraw/zinc/07/41/98/961074198.db2.gz VGZXESYCFJEJIA-UHFFFAOYSA-N -1 0 341.411 3.956 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)[C@H]3Cc4ccccc4O3)ccc2s1 ZINC000238005023 961074206 /nfs/dbraw/zinc/07/42/06/961074206.db2.gz KGGRYNYAOMPUSH-CQSZACIVSA-N -1 0 339.372 3.542 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2c2cccc3ccccc32)nc1 ZINC000238013398 961075477 /nfs/dbraw/zinc/07/54/77/961075477.db2.gz JVHOKKNEBOFCQM-IBGZPJMESA-N -1 0 346.386 3.910 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000238053261 961087796 /nfs/dbraw/zinc/08/77/96/961087796.db2.gz SUHGRJYCRGOALF-VHSXEESVSA-N -1 0 333.281 3.674 20 0 EHADRM CC(C)(C)OCc1ccc(NC(=O)NC2(C(=O)[O-])CCCC2)cc1 ZINC001588734799 961130288 /nfs/dbraw/zinc/13/02/88/961130288.db2.gz LZPDFPJTFKAPIP-UHFFFAOYSA-N -1 0 334.416 3.521 20 0 EHADRM Cc1cccc(-c2ccc(C(=O)NC3(C(=O)[O-])CCCCC3)n2C)c1 ZINC001574385168 961132312 /nfs/dbraw/zinc/13/23/12/961132312.db2.gz YGYVABRXTNCISE-UHFFFAOYSA-N -1 0 340.423 3.518 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2csc(Cc3ccccc3)n2)cc1 ZINC000238194272 961151584 /nfs/dbraw/zinc/15/15/84/961151584.db2.gz MJQBTNKBXOHVDM-UHFFFAOYSA-N -1 0 338.388 3.684 20 0 EHADRM CC(C)(C)c1cc2cccnc2c(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])c1 ZINC001588739445 961152161 /nfs/dbraw/zinc/15/21/61/961152161.db2.gz NSZWTXRVVIUCHE-UONOGXRCSA-N -1 0 326.396 3.582 20 0 EHADRM O=C([O-])c1cccc(C(=O)N(Cc2ccco2)Cc2ccccc2)c1 ZINC000238201556 961157157 /nfs/dbraw/zinc/15/71/57/961157157.db2.gz PTYPTOFCUYZOBM-UHFFFAOYSA-N -1 0 335.359 3.820 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCC[C@H]2Cc2ccccc2Cl)c1 ZINC000238203791 961159249 /nfs/dbraw/zinc/15/92/49/961159249.db2.gz WZMDMBMMUDBHKM-INIZCTEOSA-N -1 0 343.810 3.886 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1cccc2c1OC(C)(C)C2 ZINC001574390274 961168655 /nfs/dbraw/zinc/16/86/55/961168655.db2.gz UDIDNBNMBQLUDW-UHFFFAOYSA-N -1 0 325.364 3.659 20 0 EHADRM Cc1cccc([C@@H](NC(=O)/C=C/c2ccc(Cl)s2)C(=O)[O-])c1 ZINC001574390537 961172118 /nfs/dbraw/zinc/17/21/18/961172118.db2.gz XYTOLASHFRKHEF-PMGBHYCQSA-N -1 0 335.812 3.665 20 0 EHADRM O=C([O-])CCCNC(=S)Nc1ccc(Nc2ccccc2)cc1 ZINC000242731554 961174309 /nfs/dbraw/zinc/17/43/09/961174309.db2.gz DCVBAVUCXSYDPH-UHFFFAOYSA-N -1 0 329.425 3.581 20 0 EHADRM CCc1ccc([C@H](C)NC(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000243080455 961176684 /nfs/dbraw/zinc/17/66/84/961176684.db2.gz IQKYFGICXNSMCC-ZDUSSCGKSA-N -1 0 326.396 3.508 20 0 EHADRM CC(C)(C)c1cnc(NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)s1 ZINC001588747254 961183799 /nfs/dbraw/zinc/18/37/99/961183799.db2.gz UTTNQDKNZMQKNW-LLVKDONJSA-N -1 0 339.461 3.549 20 0 EHADRM CC(C)(C)c1nc(CCNC(=O)Nc2ccccc2C(=O)[O-])cs1 ZINC001588748049 961188923 /nfs/dbraw/zinc/18/89/23/961188923.db2.gz LHBRVPHZCPOEKP-UHFFFAOYSA-N -1 0 347.440 3.503 20 0 EHADRM Cc1cccc(C)c1OC[C@@H](C)NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001574394978 961202804 /nfs/dbraw/zinc/20/28/04/961202804.db2.gz LSXNGNDCHSEBHX-CQSZACIVSA-N -1 0 342.395 3.591 20 0 EHADRM Cc1cccc(Cl)c1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001574398776 961227385 /nfs/dbraw/zinc/22/73/85/961227385.db2.gz WIVDFHJAKTYGIW-LSDHHAIUSA-N -1 0 343.810 3.589 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)C(C)(C)CC(=O)[O-] ZINC001328914184 961234899 /nfs/dbraw/zinc/23/48/99/961234899.db2.gz RMABOHQEQYEJPR-JTQLQIEISA-N -1 0 329.849 3.532 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2Cc3ccc(Cl)cc32)cc1 ZINC001329286890 961258778 /nfs/dbraw/zinc/25/87/78/961258778.db2.gz FQHDADHCMBUDKC-IAGOWNOFSA-N -1 0 343.810 3.620 20 0 EHADRM CC(C)(C)c1ccc2[nH]c(C(=O)NCCC(C)(C)C(=O)[O-])cc2c1 ZINC001588775418 961278807 /nfs/dbraw/zinc/27/88/07/961278807.db2.gz GMWBIUIMQXTARZ-UHFFFAOYSA-N -1 0 330.428 3.696 20 0 EHADRM CC(C)(CCNc1ncnc2c(-c3ccccc3)nsc21)C(=O)[O-] ZINC001588778331 961288125 /nfs/dbraw/zinc/28/81/25/961288125.db2.gz KBMLQLZOIZMYRH-UHFFFAOYSA-N -1 0 342.424 3.666 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)/C=C\c1cccs1)C(=O)[O-] ZINC000255304913 961323679 /nfs/dbraw/zinc/32/36/79/961323679.db2.gz YSKAHHURRAUICD-CMUBDUJZSA-N -1 0 329.421 3.511 20 0 EHADRM CC(C)(CNC(=O)c1ccc(C(=O)[O-])nc1)c1ccc2ccccc2c1 ZINC001588783857 961326419 /nfs/dbraw/zinc/32/64/19/961326419.db2.gz SBYGEYBQFLQOPM-UHFFFAOYSA-N -1 0 348.402 3.641 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(C2CCOCC2)cc1 ZINC001330252802 961335412 /nfs/dbraw/zinc/33/54/12/961335412.db2.gz KDLFXBALGPKQNM-UHFFFAOYSA-N -1 0 339.391 3.840 20 0 EHADRM Cc1ccc2c(c1)S[C@H](C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1)C2 ZINC001331399692 961374446 /nfs/dbraw/zinc/37/44/46/961374446.db2.gz PRAACRJXSNGXBO-PXAZEXFGSA-N -1 0 341.432 3.839 20 0 EHADRM Cc1ncoc1C(=O)Nc1sc2c(c1C(=O)[O-])CCC(C)(C)C2 ZINC001574429120 961381590 /nfs/dbraw/zinc/38/15/90/961381590.db2.gz NOSDRGHGAOYQDN-UHFFFAOYSA-N -1 0 334.397 3.510 20 0 EHADRM COc1ccc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)c(C(=O)[O-])c1 ZINC000261719984 961389513 /nfs/dbraw/zinc/38/95/13/961389513.db2.gz QOICOLJMJLZWSR-ZJUUUORDSA-N -1 0 345.317 3.701 20 0 EHADRM CSc1ccc(C)c(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)c1 ZINC000261709686 961389638 /nfs/dbraw/zinc/38/96/38/961389638.db2.gz PKQQBVUMKSIHFK-QGZVFWFLSA-N -1 0 341.432 3.541 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1 ZINC000261720060 961389702 /nfs/dbraw/zinc/38/97/02/961389702.db2.gz QQCPQSJNAXYSST-UHFFFAOYSA-N -1 0 345.420 3.733 20 0 EHADRM C[C@]12CC3CC(C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])(C1)C[C@@](C)(C3)C2 ZINC000261796625 961391710 /nfs/dbraw/zinc/39/17/10/961391710.db2.gz ZOGRGCMEAYMDBL-ZABUHLQJSA-N -1 0 347.377 3.505 20 0 EHADRM Cc1ccc(CCC2CCN(C(=O)CCCCC(=O)[O-])CC2)cc1 ZINC000261950554 961399978 /nfs/dbraw/zinc/39/99/78/961399978.db2.gz WHIMVBOKHLWKFJ-UHFFFAOYSA-N -1 0 331.456 3.811 20 0 EHADRM O=C([O-])CCCCCNC(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000261976187 961402883 /nfs/dbraw/zinc/40/28/83/961402883.db2.gz GARCVOZYRJISAC-UHFFFAOYSA-N -1 0 332.227 3.687 20 0 EHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)Cc2cccc(C(=O)[O-])c2)o1 ZINC000262073304 961431521 /nfs/dbraw/zinc/43/15/21/961431521.db2.gz ARDWIYRNDMAYNX-KRWDZBQOSA-N -1 0 341.407 3.973 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000262160127 961510199 /nfs/dbraw/zinc/51/01/99/961510199.db2.gz PSQBNGPVOYIPEI-MISXGVKJSA-N -1 0 342.222 3.768 20 0 EHADRM CCCN(Cc1c(F)cccc1Cl)C(=O)c1ccc(C(=O)[O-])o1 ZINC000262166603 961517312 /nfs/dbraw/zinc/51/73/12/961517312.db2.gz KZTXIIJOQDRASW-UHFFFAOYSA-N -1 0 339.750 3.823 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)C2(c3cccc(F)c3)CCC2)cc1 ZINC000262182537 961530256 /nfs/dbraw/zinc/53/02/56/961530256.db2.gz GUQCLPLCTUOXDI-UHFFFAOYSA-N -1 0 327.355 3.513 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)Cc2ccccc21 ZINC000262196280 961541634 /nfs/dbraw/zinc/54/16/34/961541634.db2.gz KBLLDIYKDULTKA-YKTARERQSA-N -1 0 341.451 3.804 20 0 EHADRM CCOc1ccc2ccccc2c1C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001573925280 961546672 /nfs/dbraw/zinc/54/66/72/961546672.db2.gz ZFYKVGNGADOXAT-UHFFFAOYSA-N -1 0 336.347 3.584 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000262281041 961614916 /nfs/dbraw/zinc/61/49/16/961614916.db2.gz ZOOHQFLERBEIJL-KRWDZBQOSA-N -1 0 343.810 3.944 20 0 EHADRM CC[C@H](NC(=O)Nc1cc(C(=O)[O-])ccn1)c1ccc(C)c(F)c1 ZINC001573943567 961627374 /nfs/dbraw/zinc/62/73/74/961627374.db2.gz LHFNAQKCXUSBEF-AWEZNQCLSA-N -1 0 331.347 3.500 20 0 EHADRM Cc1cccc(C2(C(=O)N3CCC(CC(=O)[O-])CC3)CCCCC2)c1 ZINC000262384638 961684734 /nfs/dbraw/zinc/68/47/34/961684734.db2.gz DLXFWAVGCDWFGP-UHFFFAOYSA-N -1 0 343.467 3.910 20 0 EHADRM CC(C)[C@H](CNC(=O)c1ccccc1N(C)c1ccccc1)C(=O)[O-] ZINC001588830113 961699589 /nfs/dbraw/zinc/69/95/89/961699589.db2.gz MADOXYHNOHVSFW-KRWDZBQOSA-N -1 0 340.423 3.541 20 0 EHADRM CCCC[C@H](NCc1nc(-c2cccc(OC)c2)cs1)C(=O)[O-] ZINC001333893338 961732577 /nfs/dbraw/zinc/73/25/77/961732577.db2.gz PTNQZFWGRAJZHL-AWEZNQCLSA-N -1 0 334.441 3.552 20 0 EHADRM O=C([O-])CCCC(=O)N[C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC001334017245 961743512 /nfs/dbraw/zinc/74/35/12/961743512.db2.gz UMNIWXLKOQYJHX-CQSZACIVSA-N -1 0 334.803 3.570 20 0 EHADRM Cc1oc(CN(C)C(=O)CCc2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000262535536 961763771 /nfs/dbraw/zinc/76/37/71/961763771.db2.gz UDFDWMNPWLLTEG-UHFFFAOYSA-N -1 0 335.787 3.531 20 0 EHADRM CCCCc1ccc(CC(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000262558146 961769474 /nfs/dbraw/zinc/76/94/74/961769474.db2.gz YTVJEFISNYISHM-UHFFFAOYSA-N -1 0 343.423 3.830 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@H]1SCCc2ccccc21 ZINC000262559803 961772273 /nfs/dbraw/zinc/77/22/73/961772273.db2.gz VZRJBXGIXUJEJY-KRWDZBQOSA-N -1 0 341.432 3.971 20 0 EHADRM CC[C@@H]1CC[C@@H](C)N1C(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000262662503 961798248 /nfs/dbraw/zinc/79/82/48/961798248.db2.gz MEXFYWIVLFUXHY-NOZJJQNGSA-N -1 0 340.217 3.550 20 0 EHADRM Cc1ccc([C@@H]2CSCCN2C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC000262702971 961815055 /nfs/dbraw/zinc/81/50/55/961815055.db2.gz IOZHKTZHXPFMSP-ULQDDVLXSA-N -1 0 347.480 3.503 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)Nc2ccccc2CC(F)(F)F)CC1 ZINC000262711880 961819171 /nfs/dbraw/zinc/81/91/71/961819171.db2.gz LXEPJORVPFVTFG-XYPYZODXSA-N -1 0 329.318 3.621 20 0 EHADRM CC(C)[C@@H]1c2ccccc2CCN1C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001588842822 961830947 /nfs/dbraw/zinc/83/09/47/961830947.db2.gz PKLPBLWDXSTKDP-QGZVFWFLSA-N -1 0 339.395 3.567 20 0 EHADRM CC[C@H](C)n1ncc(C(=O)Nc2ccc(CC(=O)[O-])cc2)c1C1CC1 ZINC000262731310 961834507 /nfs/dbraw/zinc/83/45/07/961834507.db2.gz HGTRCOPODOWEBC-LBPRGKRZSA-N -1 0 341.411 3.611 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)c2cc(C(C)C)oc2C)c1OC ZINC000262747455 961846039 /nfs/dbraw/zinc/84/60/39/961846039.db2.gz ARWXHZBGIQSZRT-UHFFFAOYSA-N -1 0 347.367 3.679 20 0 EHADRM Cc1cc(C)cc(C2CCN(C(=O)c3ccc(C(=O)[O-])o3)CC2)c1 ZINC001334894825 961852631 /nfs/dbraw/zinc/85/26/31/961852631.db2.gz QSPARCKKBDKWER-UHFFFAOYSA-N -1 0 327.380 3.614 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cnc([C@H]2CCCO2)s1 ZINC000262792991 961869836 /nfs/dbraw/zinc/86/98/36/961869836.db2.gz NJGCUHQOWAURHZ-CYBMUJFWSA-N -1 0 346.408 3.562 20 0 EHADRM O=C([O-])CC1(NC(=O)C2CCC(c3ccccc3)CC2)CCCC1 ZINC000262811688 961878998 /nfs/dbraw/zinc/87/89/98/961878998.db2.gz DLPFJCJQMYIBPF-UHFFFAOYSA-N -1 0 329.440 3.864 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CC2(CCC2)c2c1cccc2F)C(=O)[O-] ZINC001588846744 961885024 /nfs/dbraw/zinc/88/50/24/961885024.db2.gz DYBLKZJMUYPNOD-CYBMUJFWSA-N -1 0 348.418 3.524 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)CC1 ZINC001574004759 961890277 /nfs/dbraw/zinc/89/02/77/961890277.db2.gz OATFAOMOPLIPKC-IAGOWNOFSA-N -1 0 332.444 3.609 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Nc2ccc(C(=O)[O-])c(OC)c2)cc1 ZINC000262856218 961921680 /nfs/dbraw/zinc/92/16/80/961921680.db2.gz DRLLJNZHWYSWQT-LBPRGKRZSA-N -1 0 343.379 3.534 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CC[C@H](C(C)(C)C)C[C@@H]1C)C(=O)[O-] ZINC001588850649 961924174 /nfs/dbraw/zinc/92/41/74/961924174.db2.gz XEPZRQDEDYIZCO-ZNMIVQPWSA-N -1 0 326.481 3.590 20 0 EHADRM COc1cc(NC(=O)[C@@H](C)CCc2ccccc2F)ccc1C(=O)[O-] ZINC000262867399 961937193 /nfs/dbraw/zinc/93/71/93/961937193.db2.gz FTRGJCMNYVYZCS-LBPRGKRZSA-N -1 0 345.370 3.740 20 0 EHADRM Cc1ccc([C@H](NC(=O)NCc2ccc(C(=O)[O-])cc2)C2CC2)cc1 ZINC000262873214 961945652 /nfs/dbraw/zinc/94/56/52/961945652.db2.gz AGPNMDZYIZHIAP-SFHVURJKSA-N -1 0 338.407 3.644 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000262920628 962002744 /nfs/dbraw/zinc/00/27/44/962002744.db2.gz NYXPTFPSAZVYOJ-WBVHZDCISA-N -1 0 345.345 3.615 20 0 EHADRM O=C(NCC1(C2CCCCC2)CCCCC1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001574562849 962020646 /nfs/dbraw/zinc/02/06/46/962020646.db2.gz TWDMFUAJEYELMU-KOMQPUFPSA-N -1 0 336.476 3.680 20 0 EHADRM CC(C)CCC[C@@H](C)NC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001588867467 962024163 /nfs/dbraw/zinc/02/41/63/962024163.db2.gz LJCYQBLGFFOXBU-BEFAXECRSA-N -1 0 334.460 3.543 20 0 EHADRM C[C@H](C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccc(Cl)s1 ZINC000262944241 962029876 /nfs/dbraw/zinc/02/98/76/962029876.db2.gz LVYDULGYOIPRQL-GWCFXTLKSA-N -1 0 349.839 3.716 20 0 EHADRM CC(C)CCOc1ccccc1NC(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC001588867893 962034376 /nfs/dbraw/zinc/03/43/76/962034376.db2.gz MVODWUGZWLPIIZ-CQSZACIVSA-N -1 0 336.432 3.590 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)NC[C@@H]1CCCCC(F)(F)C1 ZINC001574567822 962047458 /nfs/dbraw/zinc/04/74/58/962047458.db2.gz PYQMILGDFWQUJG-LLVKDONJSA-N -1 0 326.343 3.722 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)NC1(c2ccc(Cl)cc2)CC1 ZINC001574576688 962079750 /nfs/dbraw/zinc/07/97/50/962079750.db2.gz LGZCBPMOUPQDEZ-UHFFFAOYSA-N -1 0 344.798 3.527 20 0 EHADRM CC(C)(CNC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000262988215 962080550 /nfs/dbraw/zinc/08/05/50/962080550.db2.gz VCVQGUCIEOIFIN-JOCQHMNTSA-N -1 0 337.847 3.625 20 0 EHADRM Cc1ccc(-c2ccc(C)c(NC(=O)N3CCC[C@H](C(=O)[O-])C3)c2)o1 ZINC000262990565 962081237 /nfs/dbraw/zinc/08/12/37/962081237.db2.gz DKZYHPLTZHVSJZ-HNNXBMFYSA-N -1 0 342.395 3.892 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)CCCCCc1cccs1 ZINC000263040020 962162339 /nfs/dbraw/zinc/16/23/39/962162339.db2.gz RJUCSFSHSCDEEP-UNEWFSDZSA-N -1 0 335.469 3.563 20 0 EHADRM C[C@@H](CCC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-])c1ccccc1 ZINC000263046601 962175806 /nfs/dbraw/zinc/17/58/06/962175806.db2.gz FCRZKAXCYFLFPB-YWZLYKJASA-N -1 0 337.419 3.781 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1Cc2ccccc2C(C)(C)C1)CC(=O)[O-] ZINC001588893097 962217116 /nfs/dbraw/zinc/21/71/16/962217116.db2.gz TYYNPDCFMMKNIX-HNNXBMFYSA-N -1 0 346.471 3.626 20 0 EHADRM O=C([O-])c1cc(C2CCN(C(=O)CCCC3CCCCC3)CC2)no1 ZINC001345134520 962241997 /nfs/dbraw/zinc/24/19/97/962241997.db2.gz XFPFPOVUHPVIKU-UHFFFAOYSA-N -1 0 348.443 3.829 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc3c(c2)CCC=C3)C[C@@H]1c1ccccc1 ZINC000263126064 962278910 /nfs/dbraw/zinc/27/89/10/962278910.db2.gz HCLXTOKWHIOISW-WOJBJXKFSA-N -1 0 347.414 3.586 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC[C@H]1C(=O)[O-] ZINC000263141508 962296257 /nfs/dbraw/zinc/29/62/57/962296257.db2.gz YLDUZKRUBVJEEH-NWDGAFQWSA-N -1 0 347.798 3.783 20 0 EHADRM COCc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc(C(=O)[O-])c1 ZINC000263142992 962296326 /nfs/dbraw/zinc/29/63/26/962296326.db2.gz VPMOUAKKBUAULS-UHFFFAOYSA-N -1 0 343.423 3.686 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2nc3ccc(Cl)cc3s2)CC=CCC1 ZINC001574641325 962355384 /nfs/dbraw/zinc/35/53/84/962355384.db2.gz SNMGHRRXEIKMKW-HNNXBMFYSA-N -1 0 336.800 3.699 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2ccnc(Oc3ccccc3)c2)CC=CCC1 ZINC001574641436 962357252 /nfs/dbraw/zinc/35/72/52/962357252.db2.gz VWMIDAALPCHRHC-LJQANCHMSA-N -1 0 338.363 3.624 20 0 EHADRM CCOc1ccc(OCC)c(NC(=O)c2cc(C)cc(C(=O)[O-])c2)c1 ZINC000263207960 962364517 /nfs/dbraw/zinc/36/45/17/962364517.db2.gz KZEAHZIEVMSTRM-UHFFFAOYSA-N -1 0 343.379 3.743 20 0 EHADRM CC[C@H](CC(=O)N[C@](C)(CC(=O)[O-])c1cccc(OC)c1)C(C)C ZINC000263244075 962387852 /nfs/dbraw/zinc/38/78/52/962387852.db2.gz UKSUXMLMVQXPQA-AUUYWEPGSA-N -1 0 335.444 3.574 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)Cc2ccc(C3CCC3)cc2)CC1 ZINC001347546330 962394071 /nfs/dbraw/zinc/39/40/71/962394071.db2.gz CPLSNSULSKHCKC-UHFFFAOYSA-N -1 0 329.440 3.600 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000263266923 962404894 /nfs/dbraw/zinc/40/48/94/962404894.db2.gz NYFBHEHNDMPAPG-ZDUSSCGKSA-N -1 0 345.826 3.576 20 0 EHADRM CC(C)(C)[C@H](NC(=O)CCCCC(=O)[O-])c1ccc(F)cc1F ZINC000263268657 962407592 /nfs/dbraw/zinc/40/75/92/962407592.db2.gz HTZJBKLBYJJQMI-MRXNPFEDSA-N -1 0 327.371 3.813 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000263283475 962422297 /nfs/dbraw/zinc/42/22/97/962422297.db2.gz XQUXLHHHWVVSSX-INIZCTEOSA-N -1 0 337.391 3.519 20 0 EHADRM CC[C@H](C)Oc1cc(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)ccn1 ZINC000263290047 962430062 /nfs/dbraw/zinc/43/00/62/962430062.db2.gz MAMZOVQYOCUKKJ-QWHCGFSZSA-N -1 0 342.395 3.699 20 0 EHADRM CC[C@@H](C)Oc1cc(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)ccn1 ZINC000263290046 962430194 /nfs/dbraw/zinc/43/01/94/962430194.db2.gz MAMZOVQYOCUKKJ-OLZOCXBDSA-N -1 0 342.395 3.699 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2ccccc2OCC2CC2)c1 ZINC000263294450 962434916 /nfs/dbraw/zinc/43/49/16/962434916.db2.gz MUCKNTVXWVUKPB-CYBMUJFWSA-N -1 0 339.391 3.916 20 0 EHADRM O=C([O-])CCCCC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000263306054 962447350 /nfs/dbraw/zinc/44/73/50/962447350.db2.gz OLVMPCPAOZNUAR-GOSISDBHSA-N -1 0 325.408 3.732 20 0 EHADRM CC(C)Nc1ccc(F)cc1NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001588928474 962454012 /nfs/dbraw/zinc/45/40/12/962454012.db2.gz YNTLGWRFTLTZJY-VMPITWQZSA-N -1 0 332.331 3.589 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)Cc2ccc(F)c(Cl)c2)c2ccccc21 ZINC001574655632 962455596 /nfs/dbraw/zinc/45/55/96/962455596.db2.gz DCSJKGRMRLDVPU-ZDUSSCGKSA-N -1 0 347.773 3.627 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)C(C)(C)c2cccc(F)c2)c1 ZINC000263323800 962465122 /nfs/dbraw/zinc/46/51/22/962465122.db2.gz ODBOXWHTIIBSBD-LBPRGKRZSA-N -1 0 329.371 3.930 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)C[C@@H]2OCCc3ccccc32)c1 ZINC000263324361 962467249 /nfs/dbraw/zinc/46/72/49/962467249.db2.gz OGCKAJJNVSHFGO-UGSOOPFHSA-N -1 0 339.391 3.517 20 0 EHADRM CC(C)OCc1ccccc1CNC(=O)Nc1ccccc1C(=O)[O-] ZINC001588935120 962487532 /nfs/dbraw/zinc/48/75/32/962487532.db2.gz JSKJDQPYFREGTB-UHFFFAOYSA-N -1 0 342.395 3.632 20 0 EHADRM CC(C)OCc1cccc(NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC001588935568 962497028 /nfs/dbraw/zinc/49/70/28/962497028.db2.gz MJIDCCIPKLZHTC-OAHLLOKOSA-N -1 0 348.443 3.720 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000263371564 962530218 /nfs/dbraw/zinc/53/02/18/962530218.db2.gz YKRVAHWRMIQNAQ-CHWSQXEVSA-N -1 0 341.382 3.601 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1ccc(C(F)F)c(F)c1 ZINC001574668799 962539313 /nfs/dbraw/zinc/53/93/13/962539313.db2.gz KJINKWWWALOZPI-HNNXBMFYSA-N -1 0 349.308 3.588 20 0 EHADRM O=C([O-])[C@@H]1CCCN1c1nc(C2CC2)nc2sc3c(c21)CCCC3 ZINC000263392052 962552396 /nfs/dbraw/zinc/55/23/96/962552396.db2.gz GMPBOORZCJUOOF-LBPRGKRZSA-N -1 0 343.452 3.501 20 0 EHADRM CC(C)c1ccc2c(c1)CCN(C(=O)Cc1ccccc1C(=O)[O-])C2 ZINC001588968191 962655037 /nfs/dbraw/zinc/65/50/37/962655037.db2.gz FIVOTPFHACDOPH-UHFFFAOYSA-N -1 0 337.419 3.636 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N3CCC[C@@H](C)[C@@H]3C(=O)[O-])[nH]c2c1 ZINC001588969570 962665201 /nfs/dbraw/zinc/66/52/01/962665201.db2.gz JIYQKQQHMGKUDZ-SJKOYZFVSA-N -1 0 328.412 3.617 20 0 EHADRM COc1cccc2c1CC[C@H](Nc1cccc(CCC(=O)[O-])c1)C2 ZINC000263480445 962666330 /nfs/dbraw/zinc/66/63/30/962666330.db2.gz GFFCJCKVSYUHBU-KRWDZBQOSA-N -1 0 325.408 3.682 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N3C[C@@H](C(=O)[O-])CC[C@@H]3C)[nH]c2c1 ZINC001588969944 962668388 /nfs/dbraw/zinc/66/83/88/962668388.db2.gz WBVSZFXDQYPOJS-WFASDCNBSA-N -1 0 328.412 3.617 20 0 EHADRM CCC(CC)(CNC(=O)c1ccccc1CCC(F)(F)F)C(=O)[O-] ZINC000263507349 962690008 /nfs/dbraw/zinc/69/00/08/962690008.db2.gz BLMWPNHQXVYCKG-UHFFFAOYSA-N -1 0 345.361 3.802 20 0 EHADRM Cc1nn(C(C)(C)C)c(C)c1CNc1cccc(CCC(=O)[O-])c1 ZINC000263518205 962698227 /nfs/dbraw/zinc/69/82/27/962698227.db2.gz PQYRZPWUVLHTBI-UHFFFAOYSA-N -1 0 329.444 3.884 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)c(F)c1 ZINC000263531825 962712960 /nfs/dbraw/zinc/71/29/60/962712960.db2.gz MUJCHJIGEYPPPS-WFASDCNBSA-N -1 0 345.345 3.729 20 0 EHADRM C[C@@]1(Cc2ccccc2)CCCN1C(=O)Cc1ccccc1C(=O)[O-] ZINC000263562447 962730496 /nfs/dbraw/zinc/73/04/96/962730496.db2.gz CUWLUOARUXOTJA-NRFANRHFSA-N -1 0 337.419 3.551 20 0 EHADRM CC(C)(C)c1cccc2c1OCCN2C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000263565142 962732727 /nfs/dbraw/zinc/73/27/27/962732727.db2.gz FGVRHJBQUCETCG-HDJSIYSDSA-N -1 0 345.439 3.601 20 0 EHADRM C[C@H](CC(=O)Nc1nc2ccccn2c1C(=O)[O-])C1CCCCC1 ZINC001588994799 962837348 /nfs/dbraw/zinc/83/73/48/962837348.db2.gz ZRHZBOMYSGIPEE-GFCCVEGCSA-N -1 0 329.400 3.578 20 0 EHADRM CC(C)(CNC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)C1=CCCC1 ZINC000308759611 963300610 /nfs/dbraw/zinc/30/06/10/963300610.db2.gz DEVFINXMTQBTLT-UHFFFAOYSA-N -1 0 338.354 3.921 20 0 EHADRM Cc1c(C(=O)[O-])cc(CNc2cc(C)cc(Br)c2)n1C ZINC000312838958 963597808 /nfs/dbraw/zinc/59/78/08/963597808.db2.gz KOVXUXZLNHLLRB-UHFFFAOYSA-N -1 0 337.217 3.715 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCCc1ccc(Cl)cc1Cl ZINC000314263453 963732654 /nfs/dbraw/zinc/73/26/54/963732654.db2.gz HXHNDRAARBKSGV-QWHCGFSZSA-N -1 0 344.238 3.543 20 0 EHADRM C[C@H](Nc1ccc(N2CCCC2)c(F)c1)c1ncc(C(=O)[O-])s1 ZINC000314911991 963828570 /nfs/dbraw/zinc/82/85/70/963828570.db2.gz GOWYVZLZXVOFFM-JTQLQIEISA-N -1 0 335.404 3.754 20 0 EHADRM O=C([O-])c1ccc(OCc2cc3c(c(Cl)c2)OCO3)c(Cl)c1 ZINC000315174106 963863467 /nfs/dbraw/zinc/86/34/67/963863467.db2.gz IILLDKLXZCUUHJ-UHFFFAOYSA-N -1 0 341.146 3.999 20 0 EHADRM CC(C)N(Cc1cccs1)C(=O)NCCCCCCC(=O)[O-] ZINC000315365928 963890214 /nfs/dbraw/zinc/89/02/14/963890214.db2.gz RAVTZWYYJNUNNI-UHFFFAOYSA-N -1 0 326.462 3.703 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)c1cc(Cl)ccn1)CCCC2 ZINC000315720085 963928818 /nfs/dbraw/zinc/92/88/18/963928818.db2.gz YUUXFDQLZOLKOU-UHFFFAOYSA-N -1 0 336.800 3.626 20 0 EHADRM CC(C)(C)c1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000315720206 963929210 /nfs/dbraw/zinc/92/92/10/963929210.db2.gz RVKLOBLZABVQDH-UHFFFAOYSA-N -1 0 339.438 3.545 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1cc(Cl)c2ccccc2n1 ZINC000316885298 964068535 /nfs/dbraw/zinc/06/85/35/964068535.db2.gz QJTGHZJGVXKWPJ-UHFFFAOYSA-N -1 0 332.768 3.900 20 0 EHADRM Cc1cc(Br)c(NC(=O)C2(C(=O)[O-])CCC2)cc1Cl ZINC000127740809 967623518 /nfs/dbraw/zinc/62/35/18/967623518.db2.gz ZFMVDJNSWLVLHK-UHFFFAOYSA-N -1 0 346.608 3.604 20 0 EHADRM Cc1cc(Cl)c(NC(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1Cl ZINC000128370489 967623547 /nfs/dbraw/zinc/62/35/47/967623547.db2.gz SXYOYJDEUMHFBO-CQSZACIVSA-N -1 0 331.199 3.630 20 0 EHADRM CCc1ccc(C(C)(C)C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000192912682 967683308 /nfs/dbraw/zinc/68/33/08/967683308.db2.gz FDVVBVRESSETFF-MRXNPFEDSA-N -1 0 331.456 3.630 20 0 EHADRM C[C@@H]1CN(C(=O)C2(c3ccc(F)cc3)CCCCC2)CC[C@H]1C(=O)[O-] ZINC000262819902 967828446 /nfs/dbraw/zinc/82/84/46/967828446.db2.gz BODLOKNNPMYSLG-RHSMWYFYSA-N -1 0 347.430 3.597 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2)CC[C@H]1C(=O)[O-] ZINC000263062641 967841774 /nfs/dbraw/zinc/84/17/74/967841774.db2.gz STGYFIAWAUHYQE-GDBMZVCRSA-N -1 0 339.391 3.662 20 0 EHADRM CN(CCC(=O)[O-])C(=O)Nc1ccc(SC(C)(C)C)c(F)c1 ZINC000263199031 967860994 /nfs/dbraw/zinc/86/09/94/967860994.db2.gz WXQAHLQVQHFZKG-UHFFFAOYSA-N -1 0 328.409 3.655 20 0 EHADRM Cc1ccc(NC(=O)NCCC(C)(C)C(=O)[O-])cc1C(F)(F)F ZINC000323740926 968025286 /nfs/dbraw/zinc/02/52/86/968025286.db2.gz PWZAZNONKWFAPP-UHFFFAOYSA-N -1 0 332.322 3.636 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc3ccc(F)cc3s2)ccc1O ZINC000390893097 968185384 /nfs/dbraw/zinc/18/53/84/968185384.db2.gz PNDYLUJNMWULLK-UHFFFAOYSA-N -1 0 331.324 3.697 20 0 EHADRM CC[C@H](NC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)c1cc(C)ccc1C ZINC000529227775 968396495 /nfs/dbraw/zinc/39/64/95/968396495.db2.gz WUPHTDLVPXNJSO-XIRDDKMYSA-N -1 0 332.444 3.507 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000532867398 968398755 /nfs/dbraw/zinc/39/87/55/968398755.db2.gz MOJIKTXTVGDEOD-RYUDHWBXSA-N -1 0 341.860 3.534 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(OC3CCCC3)cc2)CC[C@@H]1C(=O)[O-] ZINC000630556233 968536009 /nfs/dbraw/zinc/53/60/09/968536009.db2.gz CQBBSOBWZPCUCS-GUYCJALGSA-N -1 0 346.427 3.583 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@@H](C)c1cccc(Cl)c1)CC(=O)[O-] ZINC000652088189 968613892 /nfs/dbraw/zinc/61/38/92/968613892.db2.gz FBTZOJVUEDNXFV-STQMWFEESA-N -1 0 325.836 3.697 20 0 EHADRM CC(C)C[C@H](CNC(=O)CCCc1cc(F)ccc1F)CC(=O)[O-] ZINC000652088981 968616384 /nfs/dbraw/zinc/61/63/84/968616384.db2.gz MKGPHODOLBAAGF-ZDUSSCGKSA-N -1 0 341.398 3.541 20 0 EHADRM C[C@](CNC(=O)N(C1CC1)C1CCCCC1)(C(=O)[O-])c1ccccc1 ZINC000652111944 968627393 /nfs/dbraw/zinc/62/73/93/968627393.db2.gz IANQEFYFCPKTKO-HXUWFJFHSA-N -1 0 344.455 3.536 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000659766223 968747187 /nfs/dbraw/zinc/74/71/87/968747187.db2.gz JUHAPWZNGOYTSP-LLVKDONJSA-N -1 0 325.817 3.641 20 0 EHADRM O=C([O-])C[C@H]1CCCN(c2nc3cccc(OC(F)F)c3s2)C1 ZINC000662879334 968759700 /nfs/dbraw/zinc/75/97/00/968759700.db2.gz JLEHKOWROCPABJ-SECBINFHSA-N -1 0 342.367 3.589 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1c1ccc(-c2ccc(Cl)s2)nn1 ZINC000662893582 968760610 /nfs/dbraw/zinc/76/06/10/968760610.db2.gz LYOUONYPBQBPJM-VHSXEESVSA-N -1 0 337.832 3.548 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc3cc(Cl)ccc3s2)C[C@H]1C(=O)[O-] ZINC000663057343 968776219 /nfs/dbraw/zinc/77/62/19/968776219.db2.gz KVCPFMYVNJEKPK-BXKDBHETSA-N -1 0 337.828 3.738 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc3c(c2)C(=O)CCC3)CCCCCC1 ZINC000663091023 968797746 /nfs/dbraw/zinc/79/77/46/968797746.db2.gz GODKHHUTFARASX-UHFFFAOYSA-N -1 0 329.396 3.569 20 0 EHADRM C[C@H](C(=O)N([C@@H](C)C(=O)[O-])C1CC1)c1c(Cl)cccc1Cl ZINC000666364141 968836871 /nfs/dbraw/zinc/83/68/71/968836871.db2.gz ODMABYOQLQHOQL-IUCAKERBSA-N -1 0 330.211 3.561 20 0 EHADRM Cc1cccc(CO[C@@H](C)C(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC000864135711 969321213 /nfs/dbraw/zinc/32/12/13/969321213.db2.gz PDPPJGFFQNPFCK-HNNXBMFYSA-N -1 0 341.407 3.556 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2ccc([C@H](F)C(F)(F)F)cc2)CCC1 ZINC000887394308 969411655 /nfs/dbraw/zinc/41/16/55/969411655.db2.gz MTQLBAJLHTWNHW-NSHDSACASA-N -1 0 348.296 3.636 20 0 EHADRM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC000901600013 969446283 /nfs/dbraw/zinc/44/62/83/969446283.db2.gz UHDFSLDKJLIYRS-WQYAIIHGSA-N -1 0 343.354 3.535 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)c2coc(/C=C\C(=O)[O-])c2)cc1 ZINC000901793474 969475842 /nfs/dbraw/zinc/47/58/42/969475842.db2.gz LIEJDFAYHQHAFA-XZVRFQMRSA-N -1 0 325.364 3.663 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)Nc2cccc(C3CCOCC3)c2)co1 ZINC000902192077 969528078 /nfs/dbraw/zinc/52/80/78/969528078.db2.gz OTEJWOHHCDRLBP-SNAWJCMRSA-N -1 0 341.363 3.524 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)Nc2cccc(C3CCOCC3)c2)co1 ZINC000902192075 969528115 /nfs/dbraw/zinc/52/81/15/969528115.db2.gz OTEJWOHHCDRLBP-PLNGDYQASA-N -1 0 341.363 3.524 20 0 EHADRM CC(C)n1ccc(CN2C[C@@H](CCC(=O)[O-])Cc3ccccc32)n1 ZINC000903415983 969579084 /nfs/dbraw/zinc/57/90/84/969579084.db2.gz NRDWASGFFSPFSM-HNNXBMFYSA-N -1 0 327.428 3.508 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)N[C@@H]1CCSc2ccccc21 ZINC001340464807 969743128 /nfs/dbraw/zinc/74/31/28/969743128.db2.gz VXSPBRJQWVVBPT-UKRRQHHQSA-N -1 0 348.468 3.652 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)c2cccc(F)c2Cl)cc1F ZINC000317593338 970371503 /nfs/dbraw/zinc/37/15/03/970371503.db2.gz HOJSTXKCMPOPKG-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM CSCCCCCCNC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000318676230 970460758 /nfs/dbraw/zinc/46/07/58/970460758.db2.gz WRZKITWEHDETFA-UHFFFAOYSA-N -1 0 328.409 3.569 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)c1cc(Cl)nc(Cl)c1 ZINC000319208525 970514327 /nfs/dbraw/zinc/51/43/27/970514327.db2.gz RBXUPONRNXVJRU-LLVKDONJSA-N -1 0 345.226 3.542 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2sccc2-n2cccc2)ccc1F ZINC000319687831 970561165 /nfs/dbraw/zinc/56/11/65/970561165.db2.gz KMAUYPLEGXSNMC-UHFFFAOYSA-N -1 0 330.340 3.628 20 0 EHADRM O=C([O-])c1cc(NC(=O)/C=C/c2ccc(Cl)cc2)c(F)cc1F ZINC000319724761 970565903 /nfs/dbraw/zinc/56/59/03/970565903.db2.gz GFPYDRLOQOBHSI-ZZXKWVIFSA-N -1 0 337.709 3.968 20 0 EHADRM Cc1cc(NC(=O)Cc2coc3cc(C)ccc23)sc1C(=O)[O-] ZINC000319754101 970568188 /nfs/dbraw/zinc/56/81/88/970568188.db2.gz BPVVVMDHPNAOBQ-UHFFFAOYSA-N -1 0 329.377 3.991 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)c1cccc2cccnc21 ZINC000319878404 970584357 /nfs/dbraw/zinc/58/43/57/970584357.db2.gz VCRNKOQPVFRJPF-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000320068208 970608976 /nfs/dbraw/zinc/60/89/76/970608976.db2.gz UHUUFTAFENFPOD-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM O=C([O-])c1ccc(OCc2ccc(-n3cccn3)cc2)c(Cl)c1 ZINC000320582816 970681923 /nfs/dbraw/zinc/68/19/23/970681923.db2.gz XUUOCVVATNFJIQ-UHFFFAOYSA-N -1 0 328.755 3.803 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)[C@@H]1CCCC(F)(F)C1)c1ccccc1 ZINC000320592585 970683467 /nfs/dbraw/zinc/68/34/67/970683467.db2.gz QRHFWGMBARMLNE-KGLIPLIRSA-N -1 0 325.355 3.534 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)c2cc(Cl)nc(Cl)c2)c1F ZINC000320637997 970689269 /nfs/dbraw/zinc/68/92/69/970689269.db2.gz USXAACJJCRJKEQ-UHFFFAOYSA-N -1 0 347.104 3.617 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)c2cc(F)ccc2Cl)cc1F ZINC000320739222 970708489 /nfs/dbraw/zinc/70/84/89/970708489.db2.gz SUDRLITVNFNWOW-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM O=C([O-])c1ccc(Cl)cc1NC(=O)N1CCc2ccccc2C1 ZINC000321197417 970752073 /nfs/dbraw/zinc/75/20/73/970752073.db2.gz WWJXWENXTCZOPL-UHFFFAOYSA-N -1 0 330.771 3.628 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)c1cccc3ccccc31)C2 ZINC000392934513 972544877 /nfs/dbraw/zinc/54/48/77/972544877.db2.gz MOHSYPHBLDIEEA-UHFFFAOYSA-N -1 0 331.371 3.737 20 0 EHADRM CCc1ccc(NC(=O)COc2c(C)cccc2C)c(C(=O)[O-])c1 ZINC000392964402 972548357 /nfs/dbraw/zinc/54/83/57/972548357.db2.gz TVYPQGTXGKRHEG-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM CCc1ccc(NC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1C ZINC000393048526 972559342 /nfs/dbraw/zinc/55/93/42/972559342.db2.gz IJGAKGBWVVPTHC-SFHVURJKSA-N -1 0 338.407 3.773 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N[C@@H]2CCCOc3cc(F)ccc32)c1 ZINC001605857280 972606890 /nfs/dbraw/zinc/60/68/90/972606890.db2.gz HPRYVBYPXRTSDM-OAHLLOKOSA-N -1 0 344.342 3.559 20 0 EHADRM CN(Cc1ccccc1-c1ccccc1)C(=O)C1(C(=O)[O-])CC=CC1 ZINC001604189702 972621564 /nfs/dbraw/zinc/62/15/64/972621564.db2.gz DVRAPDNRYZLFFH-UHFFFAOYSA-N -1 0 335.403 3.733 20 0 EHADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N[C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC001605021200 972628757 /nfs/dbraw/zinc/62/87/57/972628757.db2.gz UANXVUUUESRLJE-VFYAVLAOSA-N -1 0 335.831 3.593 20 0 EHADRM O=C([O-])[C@H](C(=O)N1CCC[C@H](c2ccccc2)CC1)C1CCCC1 ZINC001605892362 972691863 /nfs/dbraw/zinc/69/18/63/972691863.db2.gz BLPPEUJPRIZHKM-WMZOPIPTSA-N -1 0 329.440 3.674 20 0 EHADRM C[C@H]1CCC[C@@H](C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)C1 ZINC000394785219 972757949 /nfs/dbraw/zinc/75/79/49/972757949.db2.gz SZNSZZUBMAXVQD-VHSXEESVSA-N -1 0 340.217 3.912 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NC[C@]2(C)CCCc3ccccc32)c1 ZINC001605138177 972803239 /nfs/dbraw/zinc/80/32/39/972803239.db2.gz HKAYNMWAYFDXMH-NRFANRHFSA-N -1 0 337.419 3.717 20 0 EHADRM C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001603355856 972807604 /nfs/dbraw/zinc/80/76/04/972807604.db2.gz UKWVXOZDRSPNRE-SCZZXKLOSA-N -1 0 348.296 3.719 20 0 EHADRM Cc1cc(C(=O)OCc2ccc(C(=O)[O-])cc2)c(C(F)(F)F)o1 ZINC001605140012 972807792 /nfs/dbraw/zinc/80/77/92/972807792.db2.gz AKFRTLNUCJXSIQ-UHFFFAOYSA-N -1 0 328.242 3.662 20 0 EHADRM Cc1cc([C@@H](NC(=O)[C@H](C)C(=O)[O-])c2ccccc2Cl)ccc1F ZINC001605145356 972822486 /nfs/dbraw/zinc/82/24/86/972822486.db2.gz AJKCHAASIXGYKA-MEDUHNTESA-N -1 0 349.789 3.714 20 0 EHADRM Cc1cc(C)c2c(c1)CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C2 ZINC001605153116 972843246 /nfs/dbraw/zinc/84/32/46/972843246.db2.gz XLBMRKKDZLZIBX-INIZCTEOSA-N -1 0 346.471 3.508 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC000396375213 972869509 /nfs/dbraw/zinc/86/95/09/972869509.db2.gz MGLDRFRQEZXVHK-QMMMGPOBSA-N -1 0 339.178 3.829 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CC=C(C(F)(F)F)CC2)cc1 ZINC000396426222 972880954 /nfs/dbraw/zinc/88/09/54/972880954.db2.gz GRNHQAQTAOOGSB-SNVBAGLBSA-N -1 0 342.317 3.601 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1 ZINC000396662034 972932040 /nfs/dbraw/zinc/93/20/40/972932040.db2.gz YODUJSLFPWRSHV-VIFPVBQESA-N -1 0 348.742 3.689 20 0 EHADRM Cc1ccc(-c2cnc(NC(=O)C3(C(=O)[O-])CCC3)s2)c(C)c1 ZINC001605231439 972982101 /nfs/dbraw/zinc/98/21/01/972982101.db2.gz KFRACBJGVVUNPK-UHFFFAOYSA-N -1 0 330.409 3.620 20 0 EHADRM Cc1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1-n1cccc1 ZINC001605250439 973013775 /nfs/dbraw/zinc/01/37/75/973013775.db2.gz UCRKFWDUWTXSAL-OAQYLSRUSA-N -1 0 348.402 3.516 20 0 EHADRM Cc1ccc(C[C@H]2CCCN(C(=O)[C@@]3(C(=O)[O-])CC=CCC3)C2)cc1 ZINC001605264331 973044158 /nfs/dbraw/zinc/04/41/58/973044158.db2.gz IMLWWCVTDHBKGB-WIYYLYMNSA-N -1 0 341.451 3.587 20 0 EHADRM Cc1ccc(Cn2nccc2NCc2ccc(C(=O)[O-])s2)s1 ZINC001605281924 973074375 /nfs/dbraw/zinc/07/43/75/973074375.db2.gz AWEXETFOVYZFSD-UHFFFAOYSA-N -1 0 333.438 3.673 20 0 EHADRM Cc1ccc(OCCCC(=O)OCc2ccc(C(=O)[O-])cc2)cc1 ZINC001605301283 973113227 /nfs/dbraw/zinc/11/32/27/973113227.db2.gz CSGIJNJGMMTAPU-UHFFFAOYSA-N -1 0 328.364 3.596 20 0 EHADRM Cc1ccc2sc(CN[C@@H](C(=O)[O-])c3ccc(F)cc3)nc2c1 ZINC001605314662 973142592 /nfs/dbraw/zinc/14/25/92/973142592.db2.gz GMNOCTWKHNVPED-MRXNPFEDSA-N -1 0 330.384 3.659 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2cccc(C(F)F)c2F)C(=O)[O-])c1 ZINC001605327573 973168510 /nfs/dbraw/zinc/16/85/10/973168510.db2.gz DSUMCLOQDUWGIF-CQSZACIVSA-N -1 0 337.297 3.627 20 0 EHADRM CO[C@@H](C(=O)[O-])C(=O)N(c1ccccc1)[C@H](C)c1ccc(Cl)cc1 ZINC001604419734 973174179 /nfs/dbraw/zinc/17/41/79/973174179.db2.gz BTKHASAOMIZEDI-MLGOLLRUSA-N -1 0 347.798 3.534 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)co1 ZINC001606063894 973195598 /nfs/dbraw/zinc/19/55/98/973195598.db2.gz VEKYOBTYNGIYHL-IVAPMYIESA-N -1 0 339.391 3.519 20 0 EHADRM Cc1cccc(CN(CC(C)C)C(=O)NC[C@H](C(=O)[O-])C(C)C)c1 ZINC001605335680 973219024 /nfs/dbraw/zinc/21/90/24/973219024.db2.gz VPPOYVWTXUVFCR-KRWDZBQOSA-N -1 0 334.460 3.519 20 0 EHADRM O=C([O-])CC1(C(=O)NCC2(c3cccc(Cl)c3)CCC2)CCC1 ZINC001606072454 973223506 /nfs/dbraw/zinc/22/35/06/973223506.db2.gz GTKYECYLTPDUTK-UHFFFAOYSA-N -1 0 335.831 3.523 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)C2=C(c3ccccc3)CCCC2)C1 ZINC001606090381 973255810 /nfs/dbraw/zinc/25/58/10/973255810.db2.gz HUZQTLFEMRQXLY-OAHLLOKOSA-N -1 0 327.424 3.728 20 0 EHADRM C[C@H]1CN(Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)c2ccccc21 ZINC001603460180 973278404 /nfs/dbraw/zinc/27/84/04/973278404.db2.gz AGNADDZHHFZJQQ-AWEZNQCLSA-N -1 0 340.423 3.704 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)c1sc2cccc(F)c2c1C)C(=O)[O-] ZINC000400707449 973310310 /nfs/dbraw/zinc/31/03/10/973310310.db2.gz GXQHAMGCTIFELT-BXKDBHETSA-N -1 0 337.416 3.968 20 0 EHADRM CC(C)=CCC[C@@H](C)CC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000400756714 973312880 /nfs/dbraw/zinc/31/28/80/973312880.db2.gz GDEOJGXSEGYMDR-DNVCBOLYSA-N -1 0 329.440 3.970 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Nc1ccc(-c2ccon2)cc1 ZINC001606118091 973355786 /nfs/dbraw/zinc/35/57/86/973355786.db2.gz GJFDMXOHHKDCJI-HNNXBMFYSA-N -1 0 343.383 3.593 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Nc1ccccc1-c1ncco1 ZINC001606118224 973356778 /nfs/dbraw/zinc/35/67/78/973356778.db2.gz LCJLIJYGQANKII-ZDUSSCGKSA-N -1 0 343.383 3.593 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)C1 ZINC001606123249 973365889 /nfs/dbraw/zinc/36/58/89/973365889.db2.gz WQMXROMRECUESO-VVLHAWIVSA-N -1 0 336.476 3.632 20 0 EHADRM C/C=C\COc1cccc(CC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC001603483273 973399329 /nfs/dbraw/zinc/39/93/29/973399329.db2.gz ZGWCIIPNMJHKOA-KEGWNNHHSA-N -1 0 347.455 3.580 20 0 EHADRM COC[C@@H](NC(=O)Nc1ccccc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001604516816 973463452 /nfs/dbraw/zinc/46/34/52/973463452.db2.gz ZHROPLUZDAUDEM-OAHLLOKOSA-N -1 0 348.786 3.547 20 0 EHADRM Cc1occc1-c1cc(NC(=O)Nc2cccc(CC(=O)[O-])c2)no1 ZINC001605459859 973549736 /nfs/dbraw/zinc/54/97/36/973549736.db2.gz UPWIXMRLWCLICX-UHFFFAOYSA-N -1 0 341.323 3.514 20 0 EHADRM CC[C@@H](CNC(=O)Nc1cccc(C(=O)[O-])c1C)CC(F)(F)F ZINC000402555063 973624496 /nfs/dbraw/zinc/62/44/96/973624496.db2.gz GMVYOVXOBHMNBH-SNVBAGLBSA-N -1 0 332.322 3.793 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000403241314 973668046 /nfs/dbraw/zinc/66/80/46/973668046.db2.gz DUDMJDCBDRRZIO-MCIONIFRSA-N -1 0 330.428 3.607 20 0 EHADRM CC[C@H](CNC(=O)Nc1nc(C2CCCCC2)c(C)s1)C(=O)[O-] ZINC001603567040 973695150 /nfs/dbraw/zinc/69/51/50/973695150.db2.gz LCAUOYJNXYVBHH-LLVKDONJSA-N -1 0 339.461 3.732 20 0 EHADRM O=C([O-])COc1cccc(C(=O)O[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1 ZINC001606291480 973695015 /nfs/dbraw/zinc/69/50/15/973695015.db2.gz KNQBLCUWMHIROB-GRDNDAEWSA-N -1 0 332.396 3.666 20 0 EHADRM CC[C@@H](CSc1ccccc1)NC(=O)C1(C(=O)[O-])CCCCC1 ZINC001603575168 973718050 /nfs/dbraw/zinc/71/80/50/973718050.db2.gz IFPNVIICWOKIRV-AWEZNQCLSA-N -1 0 335.469 3.709 20 0 EHADRM O=C([O-])Cc1cccc(NCc2ccc(-c3ncco3)cc2F)c1 ZINC001606313221 973730326 /nfs/dbraw/zinc/73/03/26/973730326.db2.gz SYEBHLFTDJYRTO-UHFFFAOYSA-N -1 0 326.327 3.720 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc2c(c1)CCCCC2)C(=O)[O-] ZINC000404716812 973745017 /nfs/dbraw/zinc/74/50/17/973745017.db2.gz UAQXHHZGYOWUEU-UHFFFAOYSA-N -1 0 332.444 3.968 20 0 EHADRM O=C([O-])CCc1ccc(-c2noc(C[C@@H]3CNc4ccccc43)n2)cc1 ZINC000904509866 1032084265 /nfs/dbraw/zinc/08/42/65/1032084265.db2.gz MLAKNTWESDYITP-OAHLLOKOSA-N -1 0 349.390 3.506 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)[C@H](c2ccc(F)cc2)C(C)C)C1 ZINC001603594269 973819966 /nfs/dbraw/zinc/81/99/66/973819966.db2.gz SKNNTHYIQOAYMU-QFBILLFUSA-N -1 0 335.419 3.669 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(OC)c3ccccc23)C1 ZINC001603600995 973847617 /nfs/dbraw/zinc/84/76/17/973847617.db2.gz DXEOVNRRKXWHFO-HXUWFJFHSA-N -1 0 341.407 3.565 20 0 EHADRM O=C([O-])c1c(-c2ccsc2)csc1NC(=O)[C@H]1CCCCO1 ZINC001606458659 973902686 /nfs/dbraw/zinc/90/26/86/973902686.db2.gz HIEMRCVGHQCQDH-LLVKDONJSA-N -1 0 337.422 3.682 20 0 EHADRM CC(F)(F)c1ccc(CNC(=O)CC2(CC(=O)[O-])CCCC2)cc1 ZINC000414075412 973930819 /nfs/dbraw/zinc/93/08/19/973930819.db2.gz HLVYXVJLXDNRID-UHFFFAOYSA-N -1 0 339.382 3.840 20 0 EHADRM COc1ccc(NC(=O)CC2(CC(=O)[O-])CCCC2)cc1SC ZINC000414100300 973932260 /nfs/dbraw/zinc/93/22/60/973932260.db2.gz LAJVKPBGRGTBAX-UHFFFAOYSA-N -1 0 337.441 3.781 20 0 EHADRM O=C([O-])CCCCCNC(=O)N[C@H]1CCC[C@H](c2ccccc2)C1 ZINC000414640695 973945128 /nfs/dbraw/zinc/94/51/28/973945128.db2.gz KFMBIMSFGDKBOY-IRXDYDNUSA-N -1 0 332.444 3.657 20 0 EHADRM CCC[C@H](C)[C@@H]1CCCN1C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001603633128 973957508 /nfs/dbraw/zinc/95/75/08/973957508.db2.gz WZUOSNXICCFGBC-RIFZZMRRSA-N -1 0 346.471 3.639 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2ccc(Cl)c3occc32)cc1 ZINC001606489148 973971831 /nfs/dbraw/zinc/97/18/31/973971831.db2.gz LXJIWXVVYZIRFP-UHFFFAOYSA-N -1 0 329.739 3.714 20 0 EHADRM COc1ccc(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)c2ccccc12 ZINC001604763776 973981341 /nfs/dbraw/zinc/98/13/41/973981341.db2.gz APQTZIFWVNEFKQ-AWEZNQCLSA-N -1 0 343.423 3.715 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC001604765372 973988175 /nfs/dbraw/zinc/98/81/75/973988175.db2.gz WWFDCCJAVUMUDX-OLZOCXBDSA-N -1 0 348.443 3.710 20 0 EHADRM CC(C)(CCNC(=O)Nc1ccc(-c2ccco2)cc1F)C(=O)[O-] ZINC000424386038 974025108 /nfs/dbraw/zinc/02/51/08/974025108.db2.gz HECYJALOBOGVNM-UHFFFAOYSA-N -1 0 334.347 3.708 20 0 EHADRM CCCCOc1ccc(NC(=O)NCCC(C)(C)C(=O)[O-])c(C)c1 ZINC000424463917 974038433 /nfs/dbraw/zinc/03/84/33/974038433.db2.gz DBRARBNVNAOEIR-UHFFFAOYSA-N -1 0 336.432 3.796 20 0 EHADRM Cc1cc(Br)ccc1C[NH2+]Cc1ccc(C(=O)[O-])cc1 ZINC000426694799 974043959 /nfs/dbraw/zinc/04/39/59/974043959.db2.gz FTUHLUVYFAOZRU-UHFFFAOYSA-N -1 0 334.213 3.746 20 0 EHADRM C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000427979238 974059504 /nfs/dbraw/zinc/05/95/04/974059504.db2.gz OBBHVQSXYUVBMT-NSHDSACASA-N -1 0 333.771 3.677 20 0 EHADRM O=C([O-])CC1CCN(C(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC000431365241 974062402 /nfs/dbraw/zinc/06/24/02/974062402.db2.gz RQQSMTVGJOPTBS-UHFFFAOYSA-N -1 0 335.403 3.585 20 0 EHADRM Cc1cc(C)c(CC(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)c(C)c1 ZINC000431447134 974065517 /nfs/dbraw/zinc/06/55/17/974065517.db2.gz SYVHOXSKRVJING-IBGZPJMESA-N -1 0 339.435 3.877 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)Cc1csc2ccc(Cl)cc12 ZINC000431528125 974067742 /nfs/dbraw/zinc/06/77/42/974067742.db2.gz JPGXQPMMBWYHAC-SNVBAGLBSA-N -1 0 339.844 3.809 20 0 EHADRM Cc1cc(C)cc(CCC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000431688533 974073412 /nfs/dbraw/zinc/07/34/12/974073412.db2.gz VBEHMLQWQMGTNU-JXFKEZNVSA-N -1 0 339.435 3.814 20 0 EHADRM Cc1cc(Cl)c(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1C ZINC000431784288 974075006 /nfs/dbraw/zinc/07/50/06/974075006.db2.gz WZLSSSJXESBKCK-MRXNPFEDSA-N -1 0 343.810 3.781 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)CCc1cccc(C(F)(F)F)c1 ZINC000431794392 974075331 /nfs/dbraw/zinc/07/53/31/974075331.db2.gz KZPRFDJQIOGKQF-UHFFFAOYSA-N -1 0 345.361 3.788 20 0 EHADRM Cc1ccc(C)c([C@H](C)N(C)C(=O)c2cccc(OCC(=O)[O-])c2)c1 ZINC000432119590 974088710 /nfs/dbraw/zinc/08/87/10/974088710.db2.gz GYIYVBLLGDWZNY-HNNXBMFYSA-N -1 0 341.407 3.600 20 0 EHADRM Cc1coc(-c2cccc(NC(=O)c3ccc(C(=O)[O-])s3)c2)n1 ZINC000432114705 974088927 /nfs/dbraw/zinc/08/89/27/974088927.db2.gz VKXYXBAQTZZTPR-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N[C@@]3(C)CCCC[C@H]3C(=O)[O-])cc2c1C ZINC000432123604 974090343 /nfs/dbraw/zinc/09/03/43/974090343.db2.gz VPYDNTFHLFTQRK-LIRRHRJNSA-N -1 0 328.412 3.548 20 0 EHADRM CCOc1ccc(NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c(C)c1 ZINC001605694304 974112593 /nfs/dbraw/zinc/11/25/93/974112593.db2.gz GHXPXKWPVSIWPQ-AWEZNQCLSA-N -1 0 334.416 3.502 20 0 EHADRM CSc1ccsc1C(=O)N[C@@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000455919075 974169109 /nfs/dbraw/zinc/16/91/09/974169109.db2.gz DWMKWYUGYPYELG-AAEUAGOBSA-N -1 0 349.477 3.532 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])cc1F)c1ccc(Cl)s1 ZINC000478843799 974210432 /nfs/dbraw/zinc/21/04/32/974210432.db2.gz QEBARWVVZVTLJP-ZETCQYMHSA-N -1 0 327.764 3.730 20 0 EHADRM Cc1ccc([C@H](CNC(=O)[C@H](C)CC2CCCCC2)C(=O)[O-])cc1 ZINC000486384099 974247772 /nfs/dbraw/zinc/24/77/72/974247772.db2.gz BBNKEDPFDVASCJ-QAPCUYQASA-N -1 0 331.456 3.886 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)/C=C/c1ccsc1)C(=O)[O-] ZINC000492115070 974257525 /nfs/dbraw/zinc/25/75/25/974257525.db2.gz DBASZVPWRRFDHS-NPQIQWPPSA-N -1 0 329.421 3.511 20 0 EHADRM O=C([O-])c1ccc(Cl)c(CN2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000516872676 974310984 /nfs/dbraw/zinc/31/09/84/974310984.db2.gz KRRHVYSZPOSQFY-KRWDZBQOSA-N -1 0 349.789 3.751 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000521014764 974341030 /nfs/dbraw/zinc/34/10/30/974341030.db2.gz WQPVOLPKAXUCJN-UHFFFAOYSA-N -1 0 345.398 3.833 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N(Cc1cnc(C(=O)[O-])cn1)C1CC1 ZINC000530162079 974358299 /nfs/dbraw/zinc/35/82/99/974358299.db2.gz MPIGMYFXUOSSGW-NSHDSACASA-N -1 0 331.803 3.554 20 0 EHADRM CCOc1cc2c(cc1NCc1cccc(C(=O)[O-])c1)O[C@@H](C)C2 ZINC001603860070 974360571 /nfs/dbraw/zinc/36/05/71/974360571.db2.gz JNCTULUDPXUGKU-LBPRGKRZSA-N -1 0 327.380 3.719 20 0 EHADRM C[C@H](NC(=O)c1cccc(C(=O)[O-])c1)c1ccccc1C(F)(F)F ZINC000535621936 974379863 /nfs/dbraw/zinc/37/98/63/974379863.db2.gz UQFZKAWABJBMQU-JTQLQIEISA-N -1 0 337.297 3.895 20 0 EHADRM Cc1cc2[nH]c(C(=O)N3CCc4ccc(C(=O)[O-])cc4C3)cc2c(C)c1 ZINC000537472236 974383545 /nfs/dbraw/zinc/38/35/45/974383545.db2.gz KPLMQYKEDZSUQL-UHFFFAOYSA-N -1 0 348.402 3.681 20 0 EHADRM C[C@@H]1CCN(C(=O)CCc2ccccc2C(=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000537475720 974385048 /nfs/dbraw/zinc/38/50/48/974385048.db2.gz PLIQNXVFVKNWOP-UWWQBHOKSA-N -1 0 329.440 3.745 20 0 EHADRM CCOc1ccc(CCC(=O)Nc2ccc(C)cc2C(=O)[O-])cc1 ZINC000543447686 974418569 /nfs/dbraw/zinc/41/85/69/974418569.db2.gz RWQONEYFRGRCFK-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM COc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2C(=O)[O-])c1 ZINC000563277018 974525049 /nfs/dbraw/zinc/52/50/49/974525049.db2.gz BEGATPXKTVNIQH-GOSISDBHSA-N -1 0 329.371 3.870 20 0 EHADRM Cc1ccc([C@H]2COCCN2Cc2cc(C(=O)[O-])ccc2Cl)o1 ZINC000563280378 974525891 /nfs/dbraw/zinc/52/58/91/974525891.db2.gz ROVWUQVDIIHJAT-OAHLLOKOSA-N -1 0 335.787 3.513 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1cc(C2CC2)nc2ccccc21 ZINC000563452125 974533783 /nfs/dbraw/zinc/53/37/83/974533783.db2.gz ZPKHMZLVFCTMRI-SFHVURJKSA-N -1 0 340.423 3.684 20 0 EHADRM COc1ccc(-c2ccc(CNC(=O)C[C@H](C)CC(=O)[O-])s2)cc1 ZINC000563898845 974541167 /nfs/dbraw/zinc/54/11/67/974541167.db2.gz RXQUMZWBDGIEIT-LBPRGKRZSA-N -1 0 347.436 3.541 20 0 EHADRM CCCc1ccc(C(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)cc1 ZINC000565032159 974561571 /nfs/dbraw/zinc/56/15/71/974561571.db2.gz SDBIEWMVJMPEQG-UHFFFAOYSA-N -1 0 338.407 3.540 20 0 EHADRM CC(C)c1ccccc1OCC(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000566849776 974622714 /nfs/dbraw/zinc/62/27/14/974622714.db2.gz FNZPAPZXALULOM-UHFFFAOYSA-N -1 0 345.370 3.594 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cccc2c1OCC2(C)C ZINC000567627412 974639306 /nfs/dbraw/zinc/63/93/06/974639306.db2.gz PRAVCYPZDDFLJY-UHFFFAOYSA-N -1 0 325.364 3.616 20 0 EHADRM O=C([O-])CCCCN1CCOc2cc(Br)c(Cl)cc21 ZINC000568556816 974673357 /nfs/dbraw/zinc/67/33/57/974673357.db2.gz OJXHALMEVYYHPH-UHFFFAOYSA-N -1 0 348.624 3.556 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1ccc(F)cc1F ZINC000570505732 974712821 /nfs/dbraw/zinc/71/28/21/974712821.db2.gz OOOLHIWXPGIZNB-HNNXBMFYSA-N -1 0 348.349 3.575 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CN1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000573974962 974775128 /nfs/dbraw/zinc/77/51/28/974775128.db2.gz HCMCVDVHVMRYEK-DIFFPNOSSA-N -1 0 349.814 3.902 20 0 EHADRM CC(=O)c1cc(Br)cc(Cl)c1OCCCC(=O)[O-] ZINC000575124248 974795744 /nfs/dbraw/zinc/79/57/44/974795744.db2.gz YICMDHIAPDNFAX-UHFFFAOYSA-N -1 0 335.581 3.549 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CN1CCC[C@@H]1c1nc2ccccc2n1C ZINC000577118206 974829279 /nfs/dbraw/zinc/82/92/79/974829279.db2.gz UOVQTPSHJALEQB-MRXNPFEDSA-N -1 0 339.395 3.510 20 0 EHADRM O=C([O-])CC1(NC(=O)CCCc2ccc3c(c2)-c2ccccc2C3)CC1 ZINC000577116596 974829447 /nfs/dbraw/zinc/82/94/47/974829447.db2.gz GYYBRLZVHQWUNZ-UHFFFAOYSA-N -1 0 349.430 3.704 20 0 EHADRM O=C([O-])c1cccc(CN2CCO[C@@H](c3cccc(F)c3)C2)c1Cl ZINC000577286970 974833675 /nfs/dbraw/zinc/83/36/75/974833675.db2.gz XSQMZNGDPMORJO-MRXNPFEDSA-N -1 0 349.789 3.751 20 0 EHADRM CCc1ccc([C@@H]2COCCN2Cc2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC000578137838 974848508 /nfs/dbraw/zinc/84/85/08/974848508.db2.gz YZDLOYIUSNUTMY-INIZCTEOSA-N -1 0 349.814 3.767 20 0 EHADRM O=C([O-])c1ccc(Cl)c(CN2CCO[C@@H](c3ccsc3)C2)c1 ZINC000578199521 974850866 /nfs/dbraw/zinc/85/08/66/974850866.db2.gz LEXHMFBZULADPA-OAHLLOKOSA-N -1 0 337.828 3.673 20 0 EHADRM O=C([O-])c1ccccc1OCCN1CCc2sc(Cl)cc2C1 ZINC000582300993 974924002 /nfs/dbraw/zinc/92/40/02/974924002.db2.gz NPXVEMJJFFJRPO-UHFFFAOYSA-N -1 0 337.828 3.537 20 0 EHADRM CCc1cccc(CC)c1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1C ZINC000605495369 975015400 /nfs/dbraw/zinc/01/54/00/975015400.db2.gz AFFSSTSCCYZDAH-UHFFFAOYSA-N -1 0 347.436 3.619 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc(CCC(F)(F)F)cc1)C1CCCC1 ZINC000621576466 975037748 /nfs/dbraw/zinc/03/77/48/975037748.db2.gz NSDVUWQAQYVUOD-UHFFFAOYSA-N -1 0 343.345 3.651 20 0 EHADRM CC[C@@H](CC(=O)N1CCc2c(cccc2C(=O)[O-])C1)c1ccccc1 ZINC000621579575 975040839 /nfs/dbraw/zinc/04/08/39/975040839.db2.gz RAXYWQJQFIHSLS-HNNXBMFYSA-N -1 0 337.419 3.853 20 0 EHADRM C[C@@H](CCC(=O)N1CCc2c(cccc2C(=O)[O-])C1)c1ccccc1 ZINC000621580063 975041333 /nfs/dbraw/zinc/04/13/33/975041333.db2.gz LHCWEYIOJHGPJD-HNNXBMFYSA-N -1 0 337.419 3.853 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC000621608264 975057143 /nfs/dbraw/zinc/05/71/43/975057143.db2.gz NTNAUCLNMLOOQM-SLEUVZQESA-N -1 0 346.452 3.848 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000630108907 975104307 /nfs/dbraw/zinc/10/43/07/975104307.db2.gz AXIXDXXVLDMEOO-GFCCVEGCSA-N -1 0 331.368 3.631 20 0 EHADRM O=C([O-])CN(C(=O)c1csc(C(F)(F)F)c1)C1CCCCC1 ZINC000630128835 975114269 /nfs/dbraw/zinc/11/42/69/975114269.db2.gz AUUXRRYFEMQZGJ-UHFFFAOYSA-N -1 0 335.347 3.626 20 0 EHADRM Cc1cccc(CO[C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000630130066 975114817 /nfs/dbraw/zinc/11/48/17/975114817.db2.gz GWYVRHRZPHIZDA-AWEZNQCLSA-N -1 0 327.380 3.545 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)cc1C(=O)[O-] ZINC000630132845 975117960 /nfs/dbraw/zinc/11/79/60/975117960.db2.gz PWOHXNXHKUXZBV-SJORKVTESA-N -1 0 341.407 3.684 20 0 EHADRM CCC[C@H](C(=O)NCc1ccc(C(=O)[O-])o1)c1cccc(Cl)c1 ZINC000630139286 975123313 /nfs/dbraw/zinc/12/33/13/975123313.db2.gz AMACWKPHTQNSCX-AWEZNQCLSA-N -1 0 335.787 3.831 20 0 EHADRM Cc1ccccc1C[C@@H](C)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000630142188 975126017 /nfs/dbraw/zinc/12/60/17/975126017.db2.gz KJYPERYCBNAIIY-OAHLLOKOSA-N -1 0 325.408 3.830 20 0 EHADRM Cc1cc(C(=O)N2[C@H](C)Cc3cc(F)ccc3[C@@H]2C)oc1C(=O)[O-] ZINC000630165938 975139379 /nfs/dbraw/zinc/13/93/79/975139379.db2.gz ARPFVJFDETWKHU-MNOVXSKESA-N -1 0 331.343 3.573 20 0 EHADRM Cc1cc(C(=O)N2[C@@H](C)Cc3cc(F)ccc3[C@@H]2C)oc1C(=O)[O-] ZINC000630165940 975139639 /nfs/dbraw/zinc/13/96/39/975139639.db2.gz ARPFVJFDETWKHU-QWRGUYRKSA-N -1 0 331.343 3.573 20 0 EHADRM CC[C@@H](CN(CC)C(=O)c1cc(C)c(C(=O)[O-])o1)c1ccccc1 ZINC000630183359 975146352 /nfs/dbraw/zinc/14/63/52/975146352.db2.gz NJRYXLQGFSBXDM-AWEZNQCLSA-N -1 0 329.396 3.942 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)C2CCc3ccccc3CC2)cc1F ZINC000630196873 975154728 /nfs/dbraw/zinc/15/47/28/975154728.db2.gz NBFPHERYIOUAKD-UHFFFAOYSA-N -1 0 341.382 3.587 20 0 EHADRM Cc1cccc(CN(CC(C)C)C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c1 ZINC000630226086 975173813 /nfs/dbraw/zinc/17/38/13/975173813.db2.gz ADYPVRTWYCBDRY-IYARVYRRSA-N -1 0 331.456 3.871 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000630229963 975177509 /nfs/dbraw/zinc/17/75/09/975177509.db2.gz BWEMESSZGIAUKD-HNNXBMFYSA-N -1 0 345.345 3.683 20 0 EHADRM CC(C)(NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1nc2ccccc2s1 ZINC000630232290 975179894 /nfs/dbraw/zinc/17/98/94/975179894.db2.gz IQCZSJOXECRXHS-NWDGAFQWSA-N -1 0 346.452 3.539 20 0 EHADRM CC[C@@H](C(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1)c1ccccc1 ZINC000630237927 975182897 /nfs/dbraw/zinc/18/28/97/975182897.db2.gz FHCPRUPPJGQTSP-CQSZACIVSA-N -1 0 341.382 3.602 20 0 EHADRM O=C([O-])c1ccc(F)c2c1CN(C(=O)C1[C@H]3CCCCCC[C@H]13)CC2 ZINC000630240757 975185681 /nfs/dbraw/zinc/18/56/81/975185681.db2.gz GEWCVRWINAVYDR-KBPBESRZSA-N -1 0 345.414 3.625 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC000630260586 975204883 /nfs/dbraw/zinc/20/48/83/975204883.db2.gz LBFBODYSGHJINW-LLVKDONJSA-N -1 0 349.358 3.955 20 0 EHADRM Cc1cc(C(=O)N2CC[C@H](c3cccc(F)c3)C2(C)C)oc1C(=O)[O-] ZINC000630274324 975219083 /nfs/dbraw/zinc/21/90/83/975219083.db2.gz MWRPZBBFYXKLRE-CQSZACIVSA-N -1 0 345.370 3.834 20 0 EHADRM CCC(CC)N(CC)C(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000630290299 975233211 /nfs/dbraw/zinc/23/32/11/975233211.db2.gz GZOXDCCNMGAWAW-UHFFFAOYSA-N -1 0 342.233 3.798 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NC[C@H]1CCCC[C@H]1C)C(=O)[O-] ZINC000630291226 975233877 /nfs/dbraw/zinc/23/38/77/975233877.db2.gz YESDFVMBXXEDOJ-HZSPNIEDSA-N -1 0 335.469 3.808 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N2CCCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000630296410 975235840 /nfs/dbraw/zinc/23/58/40/975235840.db2.gz CGBXJLZGVWFQAD-GOSISDBHSA-N -1 0 341.382 3.820 20 0 EHADRM CC[C@H](CSc1ccccc1)NC(=O)c1cc(C(=O)[O-])oc1C ZINC000630296472 975236448 /nfs/dbraw/zinc/23/64/48/975236448.db2.gz DKBLTCLSQRCNJS-GFCCVEGCSA-N -1 0 333.409 3.587 20 0 EHADRM CC[C@H](c1ccccc1OC)N(C)C(=O)c1cccc(CC(=O)[O-])c1 ZINC000630296605 975236567 /nfs/dbraw/zinc/23/65/67/975236567.db2.gz YHWRDXGUIMLUMX-QGZVFWFLSA-N -1 0 341.407 3.546 20 0 EHADRM O=C([O-])C12CCC(CC1)N2C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000630324731 975252885 /nfs/dbraw/zinc/25/28/85/975252885.db2.gz JMGNTKWJVHZPQO-UHFFFAOYSA-N -1 0 345.782 3.822 20 0 EHADRM Cc1ccc(C)c(S([O-])=CC(=O)N(C)[C@H](C)c2ccccc2)c1 ZINC000107967303 1014246806 /nfs/dbraw/zinc/24/68/06/1014246806.db2.gz ZILFDPQSPQPZMD-WAIKUNEKSA-N -1 0 329.465 3.631 20 0 EHADRM O=C([O-])c1cnc(N[C@@H]2CCCc3cn(C4CCCC4)nc32)s1 ZINC000630459828 975265509 /nfs/dbraw/zinc/26/55/09/975265509.db2.gz DYQPDDVPOZLLTE-GFCCVEGCSA-N -1 0 332.429 3.642 20 0 EHADRM CCC(CC)[C@@H]1C[C@H](NC(=O)CC2(CC(=O)[O-])CCCC2)CCO1 ZINC000634907528 975280712 /nfs/dbraw/zinc/28/07/12/975280712.db2.gz NXAMXYPKNABGEL-CVEARBPZSA-N -1 0 339.476 3.512 20 0 EHADRM CCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1ccc(C(=O)[O-])c(F)c1 ZINC000639410586 975286517 /nfs/dbraw/zinc/28/65/17/975286517.db2.gz GBKMIYPYPNKLBG-OAHLLOKOSA-N -1 0 348.761 3.764 20 0 EHADRM O=C([O-])[C@H]1CCN(Cc2ncccc2C(F)(F)F)c2ccccc21 ZINC000643055708 975296811 /nfs/dbraw/zinc/29/68/11/975296811.db2.gz OAYSNOXXQYJQQW-LBPRGKRZSA-N -1 0 336.313 3.679 20 0 EHADRM C[C@H](Nc1ccc(C(=O)[O-])cn1)c1ccc(OCC(F)(F)F)cc1 ZINC000647446441 975359721 /nfs/dbraw/zinc/35/97/21/975359721.db2.gz VCIPFEQDIVPLLS-JTQLQIEISA-N -1 0 340.301 3.894 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2coc3ccc(F)cc32)C1 ZINC000649248139 975387699 /nfs/dbraw/zinc/38/76/99/975387699.db2.gz ZPICGVQJZMXQSS-LLVKDONJSA-N -1 0 333.359 3.535 20 0 EHADRM CC[C@H](CNC(=O)c1sc2cccc(C)c2c1Cl)C(=O)[O-] ZINC000649264087 975405489 /nfs/dbraw/zinc/40/54/89/975405489.db2.gz RMPHRHYCXUVKEM-SECBINFHSA-N -1 0 325.817 3.704 20 0 EHADRM CCOC1(C(=O)NCc2c3ccccc3sc2C(=O)[O-])CCCC1 ZINC000649359771 975407564 /nfs/dbraw/zinc/40/75/64/975407564.db2.gz ZOTSMUMVFFILHL-UHFFFAOYSA-N -1 0 347.436 3.565 20 0 EHADRM CSc1cc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)ccc1F ZINC000649364930 975408488 /nfs/dbraw/zinc/40/84/88/975408488.db2.gz XPEVCMUSHKRXTJ-LBPRGKRZSA-N -1 0 339.432 3.511 20 0 EHADRM CC(C)O[C@H](COC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001591686613 975497987 /nfs/dbraw/zinc/49/79/87/975497987.db2.gz QDMYDGWCNHFGBF-YESZJQIVSA-N -1 0 334.412 3.587 20 0 EHADRM Cc1cc([C@H](C)N2CCO[C@H](c3ccccc3F)C2)oc1C(=O)[O-] ZINC000652408635 975524053 /nfs/dbraw/zinc/52/40/53/975524053.db2.gz IFEVVGHPGJJKIR-LRDDRELGSA-N -1 0 333.359 3.560 20 0 EHADRM Cc1ccccc1[C@@H](C(=O)[O-])N1CCO[C@H](c2ccccc2Cl)C1 ZINC000652409680 975524206 /nfs/dbraw/zinc/52/42/06/975524206.db2.gz HLXPRPCATVXVJE-ROUUACIJSA-N -1 0 345.826 3.848 20 0 EHADRM Cc1cc([C@H](C)N2CCO[C@@H](c3ccccc3F)C2)oc1C(=O)[O-] ZINC000652408634 975524961 /nfs/dbraw/zinc/52/49/61/975524961.db2.gz IFEVVGHPGJJKIR-BLLLJJGKSA-N -1 0 333.359 3.560 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)Nc2ccccc2OC2CCCC2)c1 ZINC000653639034 975604253 /nfs/dbraw/zinc/60/42/53/975604253.db2.gz OIHHIQIVGFHCHG-UHFFFAOYSA-N -1 0 339.391 3.887 20 0 EHADRM C[C@H]1CCN(C(=O)c2cccc(CC(=O)[O-])c2)[C@H](c2ccco2)C1 ZINC000653641482 975607262 /nfs/dbraw/zinc/60/72/62/975607262.db2.gz KFKZSZJHQFUZMU-BBRMVZONSA-N -1 0 327.380 3.520 20 0 EHADRM O=C([O-])CCCCC(=O)NCc1ccccc1Oc1cccc(F)c1 ZINC000655552030 975628528 /nfs/dbraw/zinc/62/85/28/975628528.db2.gz JZVVYBLMIONCOT-UHFFFAOYSA-N -1 0 345.370 3.879 20 0 EHADRM COc1ccc2c(c1)[C@H](C(=O)Nc1cc(C(=O)[O-])ccc1F)CCC2 ZINC000656235964 975650566 /nfs/dbraw/zinc/65/05/66/975650566.db2.gz ZJVUZBQXVXMUJB-CQSZACIVSA-N -1 0 343.354 3.591 20 0 EHADRM O=C([O-])[C@@]1(C(F)(F)F)CCN(C(=O)CCC2CCCCCC2)C1 ZINC000656243953 975654656 /nfs/dbraw/zinc/65/46/56/975654656.db2.gz JEANTFDBBUYMDD-OAHLLOKOSA-N -1 0 335.366 3.603 20 0 EHADRM C[C@]1(C2CC2)CN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CCO1 ZINC000656757686 975684678 /nfs/dbraw/zinc/68/46/78/975684678.db2.gz QZFPLGOTDHTLQG-GOEBONIOSA-N -1 0 344.238 3.620 20 0 EHADRM O=C([O-])C1(C(=O)NCCc2csc3ccccc23)CC2(CCC2)C1 ZINC000659121134 975718961 /nfs/dbraw/zinc/71/89/61/975718961.db2.gz WEIIJJFMFNFOEM-UHFFFAOYSA-N -1 0 343.448 3.595 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)C1CC2(C1)CCCCC2)c1ccccc1 ZINC000659129483 975729435 /nfs/dbraw/zinc/72/94/35/975729435.db2.gz RWXHEJPOMNZKGK-WMLDXEAASA-N -1 0 329.440 3.925 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000659140007 975739056 /nfs/dbraw/zinc/73/90/56/975739056.db2.gz JWVLWWBSOFNSMR-HNNXBMFYSA-N -1 0 345.370 3.663 20 0 EHADRM CC(C)Oc1c(NC(=O)/C=C\c2cccc(F)c2)cccc1C(=O)[O-] ZINC001591741556 975755833 /nfs/dbraw/zinc/75/58/33/975755833.db2.gz LUDKCDHDMLSMIQ-KTKRTIGZSA-N -1 0 343.354 3.963 20 0 EHADRM CC(C)Oc1c(NC(=O)N[C@H]2CCC[C@H](F)C2)cccc1C(=O)[O-] ZINC001591743761 975762039 /nfs/dbraw/zinc/76/20/39/975762039.db2.gz BRELTLVQYGLJCG-RYUDHWBXSA-N -1 0 338.379 3.574 20 0 EHADRM CC(C)Oc1c(NC(=O)NC2CC3(CCC3)C2)cccc1C(=O)[O-] ZINC001591744249 975766695 /nfs/dbraw/zinc/76/66/95/975766695.db2.gz KSBRIQNOEGEYNJ-UHFFFAOYSA-N -1 0 332.400 3.626 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2ccc(-c3cccs3)cc2)C1 ZINC000659170894 975770192 /nfs/dbraw/zinc/77/01/92/975770192.db2.gz WFYJTKCGJXKFDH-LSDHHAIUSA-N -1 0 329.421 3.532 20 0 EHADRM Cc1cccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)c1Cl ZINC000659189626 975785851 /nfs/dbraw/zinc/78/58/51/975785851.db2.gz HKFRJSAGEDMHKY-KCQAQPDRSA-N -1 0 335.831 3.754 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)C2CC3(C2)CCCCC3)[C@H]2CCCC[C@H]12 ZINC000659192394 975790440 /nfs/dbraw/zinc/79/04/40/975790440.db2.gz NJCVWBXDSBJTGO-ZACQAIPSSA-N -1 0 333.472 3.839 20 0 EHADRM C[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21)c1ccc(Cl)cc1 ZINC000659193398 975792116 /nfs/dbraw/zinc/79/21/16/975792116.db2.gz PYWOLPMZLZEXAY-NKKGCODLSA-N -1 0 349.858 3.935 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2coc3ccccc23)[C@H]2CCCC[C@@H]12 ZINC000659194708 975796090 /nfs/dbraw/zinc/79/60/90/975796090.db2.gz MPHAZYCNWQZDBR-BJJXKVORSA-N -1 0 327.380 3.538 20 0 EHADRM Cc1cccc([C@H](C)C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)c1 ZINC000659194808 975797133 /nfs/dbraw/zinc/79/71/33/975797133.db2.gz NFLSUPAIYVZXSL-XOYOTBSWSA-N -1 0 329.440 3.590 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)[C@H]2CCCC[C@@H]12 ZINC000659195175 975798537 /nfs/dbraw/zinc/79/85/37/975798537.db2.gz WYMOPZHYIDOEKF-PVWHLQNVSA-N -1 0 333.472 3.695 20 0 EHADRM CCC[C@@H](C(=O)NCc1ccoc1C(=O)[O-])c1ccc(Cl)cc1 ZINC000659201788 975810421 /nfs/dbraw/zinc/81/04/21/975810421.db2.gz SFUOVUWVOZHESU-CQSZACIVSA-N -1 0 335.787 3.831 20 0 EHADRM CC(C)Oc1cc(F)ccc1NC(=O)c1ccccc1CCC(=O)[O-] ZINC001591755195 975815480 /nfs/dbraw/zinc/81/54/80/975815480.db2.gz DYVCBYZTMQBVPW-UHFFFAOYSA-N -1 0 345.370 3.882 20 0 EHADRM CCCN(Cc1ccccc1F)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000659215688 975827240 /nfs/dbraw/zinc/82/72/40/975827240.db2.gz NBVLKAUHLXHZCS-UHFFFAOYSA-N -1 0 329.371 3.505 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)NCc2cccc3ccsc32)CC1 ZINC000659410637 975850120 /nfs/dbraw/zinc/85/01/20/975850120.db2.gz XUCYXCUMPXNZFD-UHFFFAOYSA-N -1 0 346.452 3.688 20 0 EHADRM CC(C)(C)c1csc(CN(CCC(=O)[O-])Cc2ccccc2)n1 ZINC000659789538 975876172 /nfs/dbraw/zinc/87/61/72/975876172.db2.gz DPKFRZKYDDTBIY-UHFFFAOYSA-N -1 0 332.469 3.918 20 0 EHADRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(F)cc1OC(F)F ZINC000460835011 1032090428 /nfs/dbraw/zinc/09/04/28/1032090428.db2.gz JDEWRQRZVIQUKQ-UHFFFAOYSA-N -1 0 349.305 3.675 20 0 EHADRM Cc1ccc(NC(=O)c2cccc([C@H]3CCCOC3)c2)cc1C(=O)[O-] ZINC000668277627 975981864 /nfs/dbraw/zinc/98/18/64/975981864.db2.gz LYEAPBLRWQHRAY-INIZCTEOSA-N -1 0 339.391 3.840 20 0 EHADRM CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000668316360 975994796 /nfs/dbraw/zinc/99/47/96/975994796.db2.gz FNJQWXOJOQIHNY-YWTNHNAXSA-N -1 0 343.467 3.953 20 0 EHADRM CC(C)CC1(C)CCN(C(=O)CCc2ccccc2C(=O)[O-])CC1 ZINC000668324509 975999170 /nfs/dbraw/zinc/99/91/70/975999170.db2.gz VGIBEHGHPHYMKZ-UHFFFAOYSA-N -1 0 331.456 3.992 20 0 EHADRM CC(C)Oc1cccc(NCc2ccccc2O[C@H](C)C(=O)[O-])c1 ZINC001591795878 976003344 /nfs/dbraw/zinc/00/33/44/976003344.db2.gz RDSSKTDXQOIINA-CQSZACIVSA-N -1 0 329.396 3.938 20 0 EHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)CCn2cccc2)cc1 ZINC000675993503 976024636 /nfs/dbraw/zinc/02/46/36/976024636.db2.gz LOVVSUHQUIFMOF-QGZVFWFLSA-N -1 0 342.439 3.508 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000679102083 976043608 /nfs/dbraw/zinc/04/36/08/976043608.db2.gz UJDFOIVEYKTBMA-LSDHHAIUSA-N -1 0 347.455 3.538 20 0 EHADRM CC(C)Sc1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2F)cc1 ZINC001591828509 976086949 /nfs/dbraw/zinc/08/69/49/976086949.db2.gz RHUIYSWDSFSXEJ-UHFFFAOYSA-N -1 0 347.411 3.954 20 0 EHADRM CC(C)Sc1c(Cl)cccc1NC(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001591828843 976089510 /nfs/dbraw/zinc/08/95/10/976089510.db2.gz YXPYRTKGIJVNKW-NXEZZACHSA-N -1 0 342.848 3.683 20 0 EHADRM CC(C)Sc1ccccc1C(=O)Nc1cccc(C(=O)[O-])c1N ZINC001591829138 976090014 /nfs/dbraw/zinc/09/00/14/976090014.db2.gz FEZQXTLAAYDKFF-UHFFFAOYSA-N -1 0 330.409 3.720 20 0 EHADRM CC(C)Sc1ccccc1NC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001591829191 976090832 /nfs/dbraw/zinc/09/08/32/976090832.db2.gz HMFNVJBRQDAOCB-UGSOOPFHSA-N -1 0 348.468 3.906 20 0 EHADRM CC(C)c1ccc(NC(=O)NC[C@@]2(C(=O)[O-])CCOC2)c(C(C)C)c1 ZINC001591965865 976561265 /nfs/dbraw/zinc/56/12/65/976561265.db2.gz SMBHIAYWDXDPKS-IBGZPJMESA-N -1 0 348.443 3.546 20 0 EHADRM CC(C)c1ccc(OCc2nc(-c3cc(C(=O)[O-])co3)no2)cc1 ZINC001591972235 976569990 /nfs/dbraw/zinc/56/99/90/976569990.db2.gz GTTQGMCSVBEUBI-UHFFFAOYSA-N -1 0 328.324 3.730 20 0 EHADRM CC(C)c1ccc(OCCC(=O)NCc2ccc(C(=O)[O-])s2)cc1 ZINC001591972211 976570207 /nfs/dbraw/zinc/57/02/07/976570207.db2.gz FVXCECBIQOSCBG-UHFFFAOYSA-N -1 0 347.436 3.655 20 0 EHADRM CC(C)c1ccc(SCC(=O)N(CC(=O)[O-])C2CCCC2)cc1 ZINC001591973521 976576391 /nfs/dbraw/zinc/57/63/91/976576391.db2.gz CKJCUWSAFGOUFE-UHFFFAOYSA-N -1 0 335.469 3.758 20 0 EHADRM CC(C)c1ccc2c(c1)CCN(C(=O)c1ccc(/C=C\C(=O)[O-])o1)C2 ZINC001591974328 976587306 /nfs/dbraw/zinc/58/73/06/976587306.db2.gz SQMGOAVIRLBZKF-VURMDHGXSA-N -1 0 339.391 3.699 20 0 EHADRM CC(C)c1csc(CNC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)n1 ZINC001592009148 976685283 /nfs/dbraw/zinc/68/52/83/976685283.db2.gz ZFQZVQBLWMLDKU-LLVKDONJSA-N -1 0 347.440 3.776 20 0 EHADRM CC(C)c1nc(NC(=O)[C@@H]2[C@@H](C)[C@@H]2c2ccccc2)sc1C(=O)[O-] ZINC001592022632 976721791 /nfs/dbraw/zinc/72/17/91/976721791.db2.gz RTBKZJFTZCMFHF-CYZMBNFOSA-N -1 0 344.436 3.953 20 0 EHADRM CC(C)c1ncc(C(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)s1 ZINC001592033577 976748404 /nfs/dbraw/zinc/74/84/04/976748404.db2.gz JPTDNOJUQJVSQO-UHFFFAOYSA-N -1 0 333.409 3.848 20 0 EHADRM CC(C)c1ncc(CN(C)Cc2cccc(C(=O)[O-])c2Cl)cn1 ZINC001592033590 976748416 /nfs/dbraw/zinc/74/84/16/976748416.db2.gz KGOCKIWDILVWBO-UHFFFAOYSA-N -1 0 333.819 3.584 20 0 EHADRM CC(C)c1scnc1C(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1 ZINC001592117640 976921335 /nfs/dbraw/zinc/92/13/35/976921335.db2.gz UVSMRAWUTHIOME-UHFFFAOYSA-N -1 0 333.409 3.848 20 0 EHADRM C[C@H](/C=C\C(=O)[O-])NC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl ZINC001592191830 977138221 /nfs/dbraw/zinc/13/82/21/977138221.db2.gz LAQJKPGAGLLCIY-JJXVBZTLSA-N -1 0 347.720 3.518 20 0 EHADRM C[C@H](CC(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-])Cc1ccc(Cl)cc1 ZINC001592228130 977427646 /nfs/dbraw/zinc/42/76/46/977427646.db2.gz YFPDHJKXZGSBLN-BMGTVUPLSA-N -1 0 349.858 3.620 20 0 EHADRM Cc1noc(C)c1[C@H](C)NC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000654790180 1014399384 /nfs/dbraw/zinc/39/93/84/1014399384.db2.gz IUDHTTBLUISKKY-ZETCQYMHSA-N -1 0 328.290 3.507 20 0 EHADRM C[C@H](CC(=O)Nc1cc(Cl)c(Cl)cc1C(=O)[O-])[C@H]1CCCO1 ZINC001592261662 977503900 /nfs/dbraw/zinc/50/39/00/977503900.db2.gz GBIACFQZAADYKI-AMIZOPFISA-N -1 0 346.210 3.835 20 0 EHADRM C[C@H](CC(=O)Nc1cc(Cl)c(Cl)cc1C(=O)[O-])[C@@H]1CCCO1 ZINC001592261669 977503921 /nfs/dbraw/zinc/50/39/21/977503921.db2.gz GBIACFQZAADYKI-OQPBUACISA-N -1 0 346.210 3.835 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)Nc1ccccc1CC(F)(F)F)C1CC1 ZINC001592296697 977629209 /nfs/dbraw/zinc/62/92/09/977629209.db2.gz GMIGXXKKDSENBJ-OAHLLOKOSA-N -1 0 344.333 3.556 20 0 EHADRM CSc1ccc([C@@H](C)NC(=O)N(C)[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000654815723 1014439157 /nfs/dbraw/zinc/43/91/57/1014439157.db2.gz IQSVJXWGXAKFLM-IUODEOHRSA-N -1 0 338.473 3.610 20 0 EHADRM C[C@@H](CC(=O)[O-])SC[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001592421856 978033257 /nfs/dbraw/zinc/03/32/57/978033257.db2.gz ADWYBBKUNPWXCI-NURSFMCSSA-N -1 0 334.359 3.765 20 0 EHADRM C[C@H](CC(=O)[O-])SC[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001592422673 978038034 /nfs/dbraw/zinc/03/80/34/978038034.db2.gz VQQSAGZGRUEYIO-CHWSQXEVSA-N -1 0 331.478 3.620 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001592454409 978164370 /nfs/dbraw/zinc/16/43/70/978164370.db2.gz WVBVEGZCTHZPEK-CQSZACIVSA-N -1 0 325.408 3.871 20 0 EHADRM C[C@H](CC(F)(F)F)NC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001592454776 978168015 /nfs/dbraw/zinc/16/80/15/978168015.db2.gz RZLXDXUKVHDMPD-RXMQYKEDSA-N -1 0 342.676 3.640 20 0 EHADRM C[C@@H](CC1CCCC1)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O ZINC001592465958 978210295 /nfs/dbraw/zinc/21/02/95/978210295.db2.gz QAGXLBCPFKFIDA-VIFPVBQESA-N -1 0 325.792 3.899 20 0 EHADRM C[C@H](CCC(C)(C)C)NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC001592477404 978242801 /nfs/dbraw/zinc/24/28/01/978242801.db2.gz HZCICXIZHMSXSN-SNVBAGLBSA-N -1 0 347.864 3.531 20 0 EHADRM C[C@H](CCCC(F)(F)F)NC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001592477804 978246199 /nfs/dbraw/zinc/24/61/99/978246199.db2.gz NPQUFMYXXXMJPB-MRVPVSSYSA-N -1 0 336.285 3.767 20 0 EHADRM C[C@@H](CCC(C)(C)C)C(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC001592478196 978249817 /nfs/dbraw/zinc/24/98/17/978249817.db2.gz QNXDPWPDMHYYGK-IINYFYTJSA-N -1 0 327.371 3.669 20 0 EHADRM C[C@H](CCC(C)(C)C)C(=O)N1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001592478600 978252589 /nfs/dbraw/zinc/25/25/89/978252589.db2.gz UPUPOJZJIKTIPM-GFCCVEGCSA-N -1 0 336.432 3.541 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nc3cc(F)c(F)cc3s2)s1 ZINC000066254354 1014482545 /nfs/dbraw/zinc/48/25/45/1014482545.db2.gz FFSZTEZEAFQZJV-UHFFFAOYSA-N -1 0 346.405 3.745 20 0 EHADRM CCCCc1nc(COC(=O)c2ccccc2N(C)C(=O)[O-])cs1 ZINC000737004267 978372893 /nfs/dbraw/zinc/37/28/93/978372893.db2.gz PIQSZDPEVITOMA-UHFFFAOYSA-N -1 0 348.424 3.957 20 0 EHADRM Cc1ccc(C[C@H](C)N(C)C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000738267067 978508792 /nfs/dbraw/zinc/50/87/92/978508792.db2.gz CSNACWXINDGALR-AWEZNQCLSA-N -1 0 326.396 3.788 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)N2CCCc3sccc3C2)c1 ZINC000740043008 978664583 /nfs/dbraw/zinc/66/45/83/978664583.db2.gz NRSRNYNXRBFCPM-UHFFFAOYSA-N -1 0 331.397 3.818 20 0 EHADRM Cc1cc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)c(C)n1C(C)C ZINC000746356291 978682654 /nfs/dbraw/zinc/68/26/54/978682654.db2.gz HWSSCZHLCWAIQA-UHFFFAOYSA-N -1 0 326.396 3.587 20 0 EHADRM CCCC[C@H](NC(=O)/C=C/c1ccccc1O[C@H](C)CC)C(=O)[O-] ZINC000753907751 978694748 /nfs/dbraw/zinc/69/47/48/978694748.db2.gz ZNIYTVYLOWRBHI-JIXSRCLSSA-N -1 0 333.428 3.637 20 0 EHADRM CN(C(=O)c1cccc(-c2ccoc2)c1)[C@H](C(=O)[O-])c1ccccc1 ZINC000761620652 978711803 /nfs/dbraw/zinc/71/18/03/978711803.db2.gz RZHRNDLZHYSFLU-SFHVURJKSA-N -1 0 335.359 3.845 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000766844335 978726716 /nfs/dbraw/zinc/72/67/16/978726716.db2.gz COBLZVPLEPZNGL-HZPDHXFCSA-N -1 0 341.794 3.731 20 0 EHADRM Cc1ccccc1OCCCNC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811818421 978862264 /nfs/dbraw/zinc/86/22/64/978862264.db2.gz MYIRRFUVJIFPKQ-UHFFFAOYSA-N -1 0 347.798 3.546 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)Nc2ccc3scnc3c2)c1 ZINC000811818643 978862290 /nfs/dbraw/zinc/86/22/90/978862290.db2.gz SOHWPXLSHXFSAJ-UHFFFAOYSA-N -1 0 332.768 3.900 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H](CC2CCCC2)c2ccccc2)C1 ZINC000826549205 978946695 /nfs/dbraw/zinc/94/66/95/978946695.db2.gz BEBZKIPRNKFBKX-KSZLIROESA-N -1 0 329.440 3.925 20 0 EHADRM CC(C)c1csc(CNC(=O)Nc2ccc(CCC(=O)[O-])cc2)n1 ZINC000827144199 978953098 /nfs/dbraw/zinc/95/30/98/978953098.db2.gz HMZXNMAXRJBQQU-UHFFFAOYSA-N -1 0 347.440 3.605 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(CNC(=O)[O-])cc1)[C@@H](C)c1ccccc1 ZINC000827672617 978963453 /nfs/dbraw/zinc/96/34/53/978963453.db2.gz VKRNKAHWTHNAJD-KGLIPLIRSA-N -1 0 341.411 3.768 20 0 EHADRM Cc1ccc(NC(=O)[C@H](C)CC(=O)c2ccccc2F)cc1C(=O)[O-] ZINC000832942135 979058107 /nfs/dbraw/zinc/05/81/07/979058107.db2.gz CUEFVFKNFHNPET-GFCCVEGCSA-N -1 0 343.354 3.680 20 0 EHADRM CC[C@@H](C)n1nc(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cc1C ZINC001595022566 979107891 /nfs/dbraw/zinc/10/78/91/979107891.db2.gz MUFGDOXTUWDBPA-DGCLKSJQSA-N -1 0 329.400 3.603 20 0 EHADRM CC[C@H](C)n1nc(C(=O)Nc2c(C)sc(C)c2C(=O)[O-])cc1C ZINC001595023796 979119397 /nfs/dbraw/zinc/11/93/97/979119397.db2.gz VKQFVOXHZFLPTR-QMMMGPOBSA-N -1 0 335.429 3.791 20 0 EHADRM CC[C@@H](C)n1ncc(NCc2cc(C(=O)[O-])c3n2CCCC3)c1C ZINC001595027104 979139621 /nfs/dbraw/zinc/13/96/21/979139621.db2.gz NXCFGUVHDUEMBF-GFCCVEGCSA-N -1 0 330.432 3.611 20 0 EHADRM CC[C@H](CC(=O)N[C@@](C)(Cc1ccc(F)cc1)C(=O)[O-])C(C)(C)C ZINC001595033275 979174260 /nfs/dbraw/zinc/17/42/60/979174260.db2.gz HWPXUDUJQRPRPB-KUHUBIRLSA-N -1 0 337.435 3.790 20 0 EHADRM CC[C@H](CC(=O)NC[C@@H](Cc1ccccc1OC)C(=O)[O-])C(C)(C)C ZINC001595033671 979177628 /nfs/dbraw/zinc/17/76/28/979177628.db2.gz PBZBKQSSQFEPHW-HZPDHXFCSA-N -1 0 349.471 3.517 20 0 EHADRM CC(C)c1cnc(COC(=O)CCc2ccccc2C(=O)[O-])s1 ZINC000833511124 979196288 /nfs/dbraw/zinc/19/62/88/979196288.db2.gz AZYVACUDNPCWIJ-UHFFFAOYSA-N -1 0 333.409 3.641 20 0 EHADRM CC[C@@H](CC(=O)OCc1ccc(C(=O)[O-])o1)c1ccc(OC)cc1 ZINC001595037241 979205259 /nfs/dbraw/zinc/20/52/59/979205259.db2.gz VBSKMEWTQSYZAB-LBPRGKRZSA-N -1 0 332.352 3.614 20 0 EHADRM CC[C@@H](CC(F)(F)F)C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC001595038040 979207100 /nfs/dbraw/zinc/20/71/00/979207100.db2.gz CAOABQSLJBEVFJ-NSHDSACASA-N -1 0 347.333 3.847 20 0 EHADRM CC[C@H](CC(F)(F)F)C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC001595038744 979209493 /nfs/dbraw/zinc/20/94/93/979209493.db2.gz INQWAOBUOJNJOB-SSDOTTSWSA-N -1 0 338.351 3.882 20 0 EHADRM CC[C@H](CC(F)F)C(=O)N[C@@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC001595042435 979234526 /nfs/dbraw/zinc/23/45/26/979234526.db2.gz LWHWQRBAADUPRC-MFKMUULPSA-N -1 0 345.411 3.722 20 0 EHADRM C/C(=C/C(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1)C1CC1 ZINC000836750420 979253553 /nfs/dbraw/zinc/25/35/53/979253553.db2.gz RZBVYYYNZSIWEM-OWBHPGMISA-N -1 0 327.424 3.522 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000840944706 979284321 /nfs/dbraw/zinc/28/43/21/979284321.db2.gz ROJQNOXRMLGJCP-OLZOCXBDSA-N -1 0 329.371 3.831 20 0 EHADRM CCC(CC)(CNC(=O)/C=C/c1ccc(F)c2ccccc12)C(=O)[O-] ZINC001595064407 979325507 /nfs/dbraw/zinc/32/55/07/979325507.db2.gz KEOHHYYEDMVBIQ-ZRDIBKRKSA-N -1 0 343.398 3.999 20 0 EHADRM C[C@@H](CO)c1ccc(-c2cc(C(=O)[O-])n(C(=O)OC(C)(C)C)c2)cc1 ZINC001592765633 979372861 /nfs/dbraw/zinc/37/28/61/979372861.db2.gz WXMWEGOGCFXHLV-LBPRGKRZSA-N -1 0 345.395 3.732 20 0 EHADRM CCC(CC)(CNc1ncncc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001595084197 979374655 /nfs/dbraw/zinc/37/46/55/979374655.db2.gz JCCOLWQOTPFIGO-UHFFFAOYSA-N -1 0 333.819 3.998 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1cccc(Cl)c1 ZINC000846117880 979405980 /nfs/dbraw/zinc/40/59/80/979405980.db2.gz SCFXCXSEZAWDTP-KOZAUXTDSA-N -1 0 333.815 3.574 20 0 EHADRM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851592735 979501887 /nfs/dbraw/zinc/50/18/87/979501887.db2.gz AYYZABSWRWSMHJ-IEZBTEQYSA-N -1 0 339.391 3.818 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)N1C[C@@H](C(=O)[O-])Cc2ccccc21 ZINC001595125629 979508158 /nfs/dbraw/zinc/50/81/58/979508158.db2.gz DEKVZHCSXOHLFZ-RDJZCZTQSA-N -1 0 329.440 3.883 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1ccc(/C=C\C(=O)[O-])o1)c1ccccc1 ZINC000851595898 979510257 /nfs/dbraw/zinc/51/02/57/979510257.db2.gz RIUQVFRYHXNBEH-LUJNMSEFSA-N -1 0 327.380 3.895 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)NC2CCC(c3ccccc3)CC2)o1 ZINC000851600597 979519673 /nfs/dbraw/zinc/51/96/73/979519673.db2.gz FYDBXWLQAHVIQW-ACCUITESSA-N -1 0 339.391 3.834 20 0 EHADRM C[C@H]1CCCN(C(=O)c2ccc(/C=C\C(=O)[O-])o2)c2ccccc21 ZINC000851602854 979524335 /nfs/dbraw/zinc/52/43/35/979524335.db2.gz BTSRLIBXLXHILU-FUWURINLSA-N -1 0 325.364 3.922 20 0 EHADRM C[C@@H](CSc1ccccc1)N(C)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001592833063 979567823 /nfs/dbraw/zinc/56/78/23/979567823.db2.gz ZNSLXAMTSQJXJL-KKUMJFAQSA-N -1 0 335.469 3.517 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]2c2ccccc2)Cc2ccccc21 ZINC000852957282 979590283 /nfs/dbraw/zinc/59/02/83/979590283.db2.gz MUAVOTUEXSQDNR-DFQSSKMNSA-N -1 0 349.430 3.781 20 0 EHADRM C[C@](Cc1ccc(Cl)cc1)(NC(=O)C=C1CCCCC1)C(=O)[O-] ZINC001592838892 979592241 /nfs/dbraw/zinc/59/22/41/979592241.db2.gz RPWZWRBNGCZKFZ-GOSISDBHSA-N -1 0 335.831 3.733 20 0 EHADRM CC[C@@](CNC(=O)/C=C(/C)c1cccs1)(C(=O)[O-])c1ccccc1 ZINC000856926294 979611903 /nfs/dbraw/zinc/61/19/03/979611903.db2.gz ANJITPQTZXROOF-IFMUVIIVSA-N -1 0 343.448 3.700 20 0 EHADRM CC[C@@H](CNC(=O)Nc1cc(C(=O)[O-])cs1)Oc1cccc(C)c1 ZINC001595152507 979647804 /nfs/dbraw/zinc/64/78/04/979647804.db2.gz KYAAQWJQYQMYSM-ZDUSSCGKSA-N -1 0 348.424 3.734 20 0 EHADRM CC[C@@H](CNC(=O)Nc1ccc2c(c1)C(C)(C)CC2(C)C)C(=O)[O-] ZINC001595155446 979666349 /nfs/dbraw/zinc/66/63/49/979666349.db2.gz VOTNQCABOHZGNK-LBPRGKRZSA-N -1 0 332.444 3.878 20 0 EHADRM CC[C@@](CNC(=O)c1cc(F)ccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001595159273 979673045 /nfs/dbraw/zinc/67/30/45/979673045.db2.gz PTXIMSUQPNRDAC-SFHVURJKSA-N -1 0 349.789 3.642 20 0 EHADRM CC[C@](CNC(=O)c1cc(F)ccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001595159272 979673073 /nfs/dbraw/zinc/67/30/73/979673073.db2.gz PTXIMSUQPNRDAC-GOSISDBHSA-N -1 0 349.789 3.642 20 0 EHADRM CC[C@@](CNC(=O)c1cc(C)cc(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC001595159433 979673860 /nfs/dbraw/zinc/67/38/60/979673860.db2.gz WFSXADYEYZDBHI-IBGZPJMESA-N -1 0 345.826 3.811 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N2CC[C@H](C(C)(C)C)C2)cc1)C(=O)[O-] ZINC001592860559 979691250 /nfs/dbraw/zinc/69/12/50/979691250.db2.gz JMZSYFDLMFDGTQ-HIFRSBDPSA-N -1 0 332.444 3.850 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N2CCC[C@@H](c3ccccc3)CC2)o1 ZINC000864108024 979697253 /nfs/dbraw/zinc/69/72/53/979697253.db2.gz IZTQSGUNBGWQCU-PXUDHTSWSA-N -1 0 339.391 3.787 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N[C@@H]2CCCC3(CC3)C2)cc1)C(=O)[O-] ZINC001592865496 979706022 /nfs/dbraw/zinc/70/60/22/979706022.db2.gz CCRSDFGQIXVMGC-CZUORRHYSA-N -1 0 330.428 3.794 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)CCc1ccc(F)c2ccccc12 ZINC000864116717 979709091 /nfs/dbraw/zinc/70/90/91/979709091.db2.gz HUFHKBJKCNAHQD-UHFFFAOYSA-N -1 0 331.387 3.623 20 0 EHADRM CCOCCCCCC(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000864123273 979721787 /nfs/dbraw/zinc/72/17/87/979721787.db2.gz LAJOPSIMAGQQKR-UHFFFAOYSA-N -1 0 349.452 3.813 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2cccc3ccncc32)cc1)C(=O)[O-] ZINC001592872122 979726978 /nfs/dbraw/zinc/72/69/78/979726978.db2.gz CYRFHSKTWUFFLV-CYBMUJFWSA-N -1 0 334.375 3.750 20 0 EHADRM C[C@H](CCc1ccc(F)cc1)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000864136375 979739023 /nfs/dbraw/zinc/73/90/23/979739023.db2.gz XZXQZNGPSHCLAI-CQSZACIVSA-N -1 0 335.419 3.546 20 0 EHADRM CC[C@@H](CNc1ccccc1)NC(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC001595172672 979744468 /nfs/dbraw/zinc/74/44/68/979744468.db2.gz LGAROBKMMKMRGW-AWEZNQCLSA-N -1 0 341.411 3.705 20 0 EHADRM CC[C@@](CNc1nc(C(C)(C)C)ns1)(C(=O)[O-])c1ccccc1 ZINC001595172906 979747492 /nfs/dbraw/zinc/74/74/92/979747492.db2.gz UECBSJWNHGGNDM-KRWDZBQOSA-N -1 0 333.457 3.680 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)N(C1CC1)C1(C(=O)[O-])CCC1 ZINC001592890216 979776210 /nfs/dbraw/zinc/77/62/10/979776210.db2.gz DILYVHLGDDPZSH-GFCCVEGCSA-N -1 0 335.831 3.517 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)N[C@H](CC(C)(C)C)C(=O)[O-] ZINC001592890673 979779152 /nfs/dbraw/zinc/77/91/52/979779152.db2.gz JKVJAJQNIUHQCH-SMDDNHRTSA-N -1 0 325.836 3.524 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)N(CC(=O)[O-])c1ccccc1 ZINC001592891240 979782377 /nfs/dbraw/zinc/78/23/77/979782377.db2.gz ORBYZJQASUROBG-CYBMUJFWSA-N -1 0 331.799 3.636 20 0 EHADRM CC(C)(C)/C=C\C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC000864169782 979797005 /nfs/dbraw/zinc/79/70/05/979797005.db2.gz KEQMGRMGALGBOL-SREVYHEPSA-N -1 0 327.327 3.570 20 0 EHADRM C[C@@H](Cc1ccco1)C(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-] ZINC001592900158 979819519 /nfs/dbraw/zinc/81/95/19/979819519.db2.gz QCHJMPMIVIEYIK-QMMMGPOBSA-N -1 0 325.723 3.588 20 0 EHADRM CC(C)n1ccc(C[C@@H](C)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)n1 ZINC001592902330 979826353 /nfs/dbraw/zinc/82/63/53/979826353.db2.gz GZVUCMCVLAKYGH-JEBQAFNWSA-N -1 0 327.428 3.695 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)c1sc2ccccc2c1Cl)C1CC1 ZINC000864198043 979867909 /nfs/dbraw/zinc/86/79/09/979867909.db2.gz PTEDXJGILAZNKI-MRXNPFEDSA-N -1 0 337.828 3.928 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)CCc1ccc(F)c2ccccc12)C1CC1 ZINC000864201287 979879536 /nfs/dbraw/zinc/87/95/36/979879536.db2.gz QXCZJDKJGSSJRT-FQEVSTJZSA-N -1 0 343.398 3.671 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N[C@](C)(CC(=O)[O-])C1CC1 ZINC000864204201 979885548 /nfs/dbraw/zinc/88/55/48/979885548.db2.gz SOKUORDPADNAJV-QGZVFWFLSA-N -1 0 335.400 3.722 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)C[C@@H]2CCc3ccccc32)c1 ZINC000864229029 979922251 /nfs/dbraw/zinc/92/22/51/979922251.db2.gz HUAKPZRCAJLDON-LPHOPBHVSA-N -1 0 337.419 3.747 20 0 EHADRM Cc1cc(C(F)F)oc1C(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1 ZINC000864233232 979931886 /nfs/dbraw/zinc/93/18/86/979931886.db2.gz USGRHSOMZCYQGB-LBPRGKRZSA-N -1 0 337.322 3.780 20 0 EHADRM COc1ccc(C2CC2)c(NC(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000864608549 979950368 /nfs/dbraw/zinc/95/03/68/979950368.db2.gz PLWFLHGYVRGYHM-UHFFFAOYSA-N -1 0 340.379 3.844 20 0 EHADRM CC[C@H](CSc1ccccc1)NC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001595203659 979966859 /nfs/dbraw/zinc/96/68/59/979966859.db2.gz QPNNHKZKOKAMIY-OAHLLOKOSA-N -1 0 343.448 3.994 20 0 EHADRM CC(F)(F)c1ccc(C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001592943183 980013432 /nfs/dbraw/zinc/01/34/32/980013432.db2.gz DKWYPVFPWLFEOO-OAHLLOKOSA-N -1 0 339.382 3.809 20 0 EHADRM CC(F)(F)c1cc(F)ccc1NC(=O)N[C@](C)(CC(=O)[O-])C1CC1 ZINC001592943417 980014620 /nfs/dbraw/zinc/01/46/20/980014620.db2.gz JRVHYIGMDNLCEP-OAHLLOKOSA-N -1 0 344.333 3.702 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001595219782 980042042 /nfs/dbraw/zinc/04/20/42/980042042.db2.gz RKGHYAGIBUBTSB-IEBWSBKVSA-N -1 0 345.483 3.961 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001595219780 980042353 /nfs/dbraw/zinc/04/23/53/980042353.db2.gz RKGHYAGIBUBTSB-HKUYNNGSSA-N -1 0 345.483 3.961 20 0 EHADRM CCC(F)(F)C(C)(C)CNC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001595221252 980051368 /nfs/dbraw/zinc/05/13/68/980051368.db2.gz AXJUMMUBRFTIMV-UHFFFAOYSA-N -1 0 332.322 3.717 20 0 EHADRM CCC(F)(F)C(C)(C)CNC(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001595221859 980055316 /nfs/dbraw/zinc/05/53/16/980055316.db2.gz WYGRMNCLTRBGLB-UHFFFAOYSA-N -1 0 349.765 3.626 20 0 EHADRM CC[C@](NC(=O)[C@H]1CC2CCC1CC2)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595237144 980142931 /nfs/dbraw/zinc/14/29/31/980142931.db2.gz YZEFWSOALYFBDL-XCCUKFKNSA-N -1 0 349.858 3.972 20 0 EHADRM CC[C@@](NC(=O)/C=C\c1ccccc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595237470 980145980 /nfs/dbraw/zinc/14/59/80/980145980.db2.gz ISMSTHRCMKDPJD-RNNBRSHQSA-N -1 0 343.810 3.860 20 0 EHADRM CC[C@@](NC(=O)CCCc1sccc1C)(C(=O)[O-])c1ccccc1 ZINC001595241777 980163409 /nfs/dbraw/zinc/16/34/09/980163409.db2.gz ZKKYMKMOSLVOGB-IBGZPJMESA-N -1 0 345.464 3.886 20 0 EHADRM CC[C@@H](NC(=O)N1CCc2cc(C(=O)[O-])ccc2C1)C1CCCCC1 ZINC001595247338 980189849 /nfs/dbraw/zinc/18/98/49/980189849.db2.gz LSKOWFWCXZSCFT-GOSISDBHSA-N -1 0 344.455 3.811 20 0 EHADRM CC[C@@H](NC(=O)N1CCC(CC(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC001595247621 980192603 /nfs/dbraw/zinc/19/26/03/980192603.db2.gz QUBGMGISNLLNKG-OAHLLOKOSA-N -1 0 338.835 3.687 20 0 EHADRM CC[C@H](NC(=O)NC[C@H](CC(=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC001595248960 980200640 /nfs/dbraw/zinc/20/06/40/980200640.db2.gz FBNTUIFJPKKBLY-ZFWWWQNUSA-N -1 0 338.835 3.591 20 0 EHADRM C[C@H](NC(=O)C12CCC(C(=O)[O-])(CC1)CC2)C1CCC(F)(F)CC1 ZINC001592998125 980206778 /nfs/dbraw/zinc/20/67/78/980206778.db2.gz HLQVPZVNUPMKPB-CDEQTRAXSA-N -1 0 343.414 3.742 20 0 EHADRM C[C@](NC(=O)C1(c2ccccc2)CCCCCC1)(C(=O)[O-])C1CC1 ZINC001592999374 980213393 /nfs/dbraw/zinc/21/33/93/980213393.db2.gz ZAWRCGQSXLJVNY-LJQANCHMSA-N -1 0 329.440 3.648 20 0 EHADRM CC(C)(C)Cc1ncc(C(=O)Nc2ccc(CC(=O)[O-])cc2)s1 ZINC000899295236 980225517 /nfs/dbraw/zinc/22/55/17/980225517.db2.gz KCXCYXDPVZFDMP-UHFFFAOYSA-N -1 0 332.425 3.611 20 0 EHADRM CC[C@@H](NC(=O)NCc1ccc(CC(=O)[O-])cc1)c1ccc(C)cc1 ZINC001595253061 980226522 /nfs/dbraw/zinc/22/65/22/980226522.db2.gz NVXPPRWWEUMYFY-GOSISDBHSA-N -1 0 340.423 3.573 20 0 EHADRM CC[C@H](NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])c1ccc(Cl)s1 ZINC001595253370 980230206 /nfs/dbraw/zinc/23/02/06/980230206.db2.gz XZRXUIYNUKKSMH-GARJFASQSA-N -1 0 344.864 3.795 20 0 EHADRM C[C@@H](NC(=O)/C=C\c1cc(C(=O)[O-])co1)c1c(F)cccc1Cl ZINC001593008346 980230327 /nfs/dbraw/zinc/23/03/27/980230327.db2.gz FJPFFPNDDIRCIB-SSJHQANKSA-N -1 0 337.734 3.661 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)[C@H]1CCN(c2ccccc2Cl)C1 ZINC001595255669 980235740 /nfs/dbraw/zinc/23/57/40/980235740.db2.gz VGWZSEIBPCOEKB-LBPRGKRZSA-N -1 0 344.798 3.503 20 0 EHADRM CC[C@H](NC(=O)c1cc(C(=O)[O-])ccn1)c1cccc2ccccc21 ZINC001595263912 980269215 /nfs/dbraw/zinc/26/92/15/980269215.db2.gz SULJKIBJDRUEPD-KRWDZBQOSA-N -1 0 334.375 3.814 20 0 EHADRM C[C@H](CC(C)(C)CC(=O)[O-])Nc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000901443383 980290870 /nfs/dbraw/zinc/29/08/70/980290870.db2.gz YTFUZVKKWUMSQC-XFNZEKPQSA-N -1 0 345.892 3.910 20 0 EHADRM CC[C@@](NC(=O)c1coc2c1cccc2C)(C(=O)[O-])c1ccccc1 ZINC001595274489 980294728 /nfs/dbraw/zinc/29/47/28/980294728.db2.gz IZSXEJABBJWQEO-FQEVSTJZSA-N -1 0 337.375 3.861 20 0 EHADRM CC[C@@H]1C[C@@H](Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)CCO1 ZINC000901773022 980502915 /nfs/dbraw/zinc/50/29/15/980502915.db2.gz BAHKZSDDQFXRMW-JKSUJKDBSA-N -1 0 332.444 3.745 20 0 EHADRM CC[C@@H](Nc1cccc([C@H]2CCC(=O)N2)c1)c1ccc(C(=O)[O-])cc1 ZINC001595318900 980503395 /nfs/dbraw/zinc/50/33/95/980503395.db2.gz SRMDARVAXSDEJT-QZTJIDSGSA-N -1 0 338.407 3.899 20 0 EHADRM CC[C@@H](Nc1ncc(C(=O)[O-])cc1Cl)c1nc2ccccc2[nH]1 ZINC001595322821 980516814 /nfs/dbraw/zinc/51/68/14/980516814.db2.gz LJANFEVDYDJBMY-LLVKDONJSA-N -1 0 330.775 3.873 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NCc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000901813877 980534908 /nfs/dbraw/zinc/53/49/08/980534908.db2.gz FSIBTGUPQLDIHN-LLVKDONJSA-N -1 0 347.798 3.911 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NCc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000901813878 980534934 /nfs/dbraw/zinc/53/49/34/980534934.db2.gz FSIBTGUPQLDIHN-NSHDSACASA-N -1 0 347.798 3.911 20 0 EHADRM CC[C@@H](OC(=O)/C=C\c1cc(C(=O)[O-])co1)c1cccc(OC)c1 ZINC001595336434 980593993 /nfs/dbraw/zinc/59/39/93/980593993.db2.gz IMAULKAWGHOBMC-XITLMJRVSA-N -1 0 330.336 3.694 20 0 EHADRM CC[C@@H](OC(=O)CCCC(=O)[O-])c1cccc(Br)c1 ZINC001595337417 980599945 /nfs/dbraw/zinc/59/99/45/980599945.db2.gz ONOHBRWYFHQNJG-GFCCVEGCSA-N -1 0 329.190 3.698 20 0 EHADRM CC[C@H](OC(=O)CCc1ocnc1C(=O)[O-])C(C)(C)c1ccccc1 ZINC001595340168 980616884 /nfs/dbraw/zinc/61/68/84/980616884.db2.gz LBZAWNYZUPMGON-HNNXBMFYSA-N -1 0 345.395 3.605 20 0 EHADRM CC[C@H](OC(=O)c1ccc(Oc2ccccc2F)nc1)[C@@H](C)C(=O)[O-] ZINC001595352282 980667553 /nfs/dbraw/zinc/66/75/53/980667553.db2.gz VZDUOAIRKLJJDD-RISCZKNCSA-N -1 0 347.342 3.669 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC001595355086 980699198 /nfs/dbraw/zinc/69/91/98/980699198.db2.gz NDPHRZRICHSEKB-UAGQMJEPSA-N -1 0 339.476 3.606 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001595355595 980703627 /nfs/dbraw/zinc/70/36/27/980703627.db2.gz FMXSSHCNKSJTGS-LBPRGKRZSA-N -1 0 325.430 3.739 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001595355906 980706471 /nfs/dbraw/zinc/70/64/71/980706471.db2.gz QYNHSKJAUDODJD-HNNXBMFYSA-N -1 0 337.391 3.899 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC001595356019 980708001 /nfs/dbraw/zinc/70/80/01/980708001.db2.gz WHJCTAYLGHYGPB-CYBMUJFWSA-N -1 0 325.792 3.715 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001595357349 980721459 /nfs/dbraw/zinc/72/14/59/980721459.db2.gz WITPAFPIOVKNON-GFCCVEGCSA-N -1 0 333.409 3.859 20 0 EHADRM CCc1oc(CNc2cccc(OC[C@@H]3CCCO3)c2)cc1C(=O)[O-] ZINC000902104578 980736644 /nfs/dbraw/zinc/73/66/44/980736644.db2.gz DLYGDUZRJFXHAT-HNNXBMFYSA-N -1 0 345.395 3.710 20 0 EHADRM O=C([O-])CCC[C@@H]1CCC[C@@H](Nc2cccc(Cn3cncn3)c2)C1 ZINC000902120078 980744013 /nfs/dbraw/zinc/74/40/13/980744013.db2.gz YFDPWCPPMNCRBN-DOTOQJQBSA-N -1 0 342.443 3.552 20 0 EHADRM C[C@H](Nc1cccc(COCC(F)(F)C(F)F)c1)[C@H]1C[C@@H]1C(=O)[O-] ZINC000902141446 980753626 /nfs/dbraw/zinc/75/36/26/980753626.db2.gz YJACQAWNCSEFEU-BIMULSAOSA-N -1 0 349.324 3.625 20 0 EHADRM CCc1oc(CN[C@H]2CCOc3c(Cl)cccc32)cc1C(=O)[O-] ZINC000902175027 980768236 /nfs/dbraw/zinc/76/82/36/980768236.db2.gz FCKBMYZTPYIQAZ-AWEZNQCLSA-N -1 0 335.787 3.807 20 0 EHADRM COCCOc1c(Cl)cccc1NC1CCC(CC(=O)[O-])CC1 ZINC000902182875 980772608 /nfs/dbraw/zinc/77/26/08/980772608.db2.gz SJKRCIMNRFSCMO-UHFFFAOYSA-N -1 0 341.835 3.811 20 0 EHADRM CCc1oc(CN[C@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1C(=O)[O-] ZINC000902194616 980777866 /nfs/dbraw/zinc/77/78/66/980777866.db2.gz CCCUEUQJHVKANI-QZTJIDSGSA-N -1 0 347.386 3.689 20 0 EHADRM CCc1oc(CN[C@H]2CCOc3c(CC)cccc32)cc1C(=O)[O-] ZINC000902214550 980785491 /nfs/dbraw/zinc/78/54/91/980785491.db2.gz XVYNMFYWCKQFQC-INIZCTEOSA-N -1 0 329.396 3.716 20 0 EHADRM CC(=O)NCc1ccc(N[C@H]2CCC[C@H](CCCC(=O)[O-])C2)cc1 ZINC000902234991 980794579 /nfs/dbraw/zinc/79/45/79/980794579.db2.gz RMGONSXGTJTGLB-QAPCUYQASA-N -1 0 332.444 3.548 20 0 EHADRM CCC1(C(=O)N2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)CCCC1 ZINC001595365016 980799799 /nfs/dbraw/zinc/79/97/99/980799799.db2.gz GTXMSDGWNWYFKP-GFCCVEGCSA-N -1 0 336.457 3.518 20 0 EHADRM CCC1(C(=O)Nc2nc3c(s2)CC[C@H](C(=O)[O-])C3)CCCCC1 ZINC001595367970 980820833 /nfs/dbraw/zinc/82/08/33/980820833.db2.gz NMCIIOJZXDJATN-NSHDSACASA-N -1 0 336.457 3.632 20 0 EHADRM CCC1(C(=O)Nc2ncc(C(=O)[O-])cc2Cl)CCC(F)(F)CC1 ZINC001595368099 980822725 /nfs/dbraw/zinc/82/27/25/980822725.db2.gz VKFWOGMTECYBQD-UHFFFAOYSA-N -1 0 346.761 3.977 20 0 EHADRM CC[C@@]1(C)CCCN(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)C1 ZINC001595369029 980833655 /nfs/dbraw/zinc/83/36/55/980833655.db2.gz QEZKJHWYLYARIA-SFHVURJKSA-N -1 0 329.400 3.910 20 0 EHADRM O=C([O-])c1ccc(CNc2ccccc2O[C@H]2CCOC2)cc1Cl ZINC000902340187 980839920 /nfs/dbraw/zinc/83/99/20/980839920.db2.gz YJQXBEINPXZZLR-ZDUSSCGKSA-N -1 0 347.798 3.818 20 0 EHADRM CCC1(CC)[C@H](Nc2cc(C(=O)[O-])cc3cccnc32)C[C@@H]1OC ZINC001595373279 980871680 /nfs/dbraw/zinc/87/16/80/980871680.db2.gz GSTXNQAMHFJNFS-CVEARBPZSA-N -1 0 328.412 3.939 20 0 EHADRM CCC1(CC)[C@H](NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)[C@H](C)[C@H]1OC ZINC001595374336 980883174 /nfs/dbraw/zinc/88/31/74/980883174.db2.gz XTMIOMRWJGBHCB-APHBMKBZSA-N -1 0 348.443 3.654 20 0 EHADRM CCC1(CC)CCN(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)CC1 ZINC001595374923 980889740 /nfs/dbraw/zinc/88/97/40/980889740.db2.gz DWOLGIJIXHKHDQ-UHFFFAOYSA-N -1 0 344.415 3.695 20 0 EHADRM CC[C@H]1[C@H](C)CCN1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001595406107 980989784 /nfs/dbraw/zinc/98/97/84/980989784.db2.gz YMJZVYGXBBPYFD-SKDRFNHKSA-N -1 0 342.342 3.639 20 0 EHADRM CC[C@H]1C[C@H](C(=O)Oc2cccc3c(CC(=O)[O-])cccc23)CCO1 ZINC001595408929 981003360 /nfs/dbraw/zinc/00/33/60/981003360.db2.gz PFYUFGWVNCDTDG-CABCVRRESA-N -1 0 342.391 3.578 20 0 EHADRM CCC1CCC(CNC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)CC1 ZINC001595415305 981027673 /nfs/dbraw/zinc/02/76/73/981027673.db2.gz CEFUMVOKMBPPLF-UHFFFAOYSA-N -1 0 344.415 3.599 20 0 EHADRM CCC1CCC(N(C(=O)NCc2cc(C(=O)[O-])c(C)o2)C2CC2)CC1 ZINC001595416010 981031153 /nfs/dbraw/zinc/03/11/53/981031153.db2.gz PIKWHAPPAHWMEP-UHFFFAOYSA-N -1 0 348.443 3.929 20 0 EHADRM CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001595416811 981033928 /nfs/dbraw/zinc/03/39/28/981033928.db2.gz ZIRRCOXWMJGYLC-TZMCWYRMSA-N -1 0 334.416 3.967 20 0 EHADRM C[C@H](c1ncc(C(C)(C)C)o1)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC000903923845 981040361 /nfs/dbraw/zinc/04/03/61/981040361.db2.gz DBRRHJLWFZSRBM-GHMZBOCLSA-N -1 0 349.456 3.677 20 0 EHADRM O=C([O-])c1cnc(C2CCN(C(=O)[C@H]3CCC=CCCC3)CC2)s1 ZINC000905006317 981085882 /nfs/dbraw/zinc/08/58/82/981085882.db2.gz PEWDYHHBUOSQLE-AWEZNQCLSA-N -1 0 348.468 3.684 20 0 EHADRM CC[C@@H]1CCC[C@H]1CNC(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001595452216 981112815 /nfs/dbraw/zinc/11/28/15/981112815.db2.gz GWFWPPKYMFLUSM-OCCSQVGLSA-N -1 0 341.411 3.881 20 0 EHADRM CC[C@@H](NCc1ccc(C(=O)[O-])cn1)c1ccccc1OC(F)F ZINC000905718363 981121811 /nfs/dbraw/zinc/12/18/11/981121811.db2.gz IOJKDYUSBVWJFY-CQSZACIVSA-N -1 0 336.338 3.622 20 0 EHADRM C[C@@H](NCc1ccc(/C=C\C(=O)[O-])o1)c1cc(Cl)cc2c1OCC2 ZINC000905770663 981147577 /nfs/dbraw/zinc/14/75/77/981147577.db2.gz OQDIVXOEMDRTII-DOGVGXBMSA-N -1 0 347.798 3.817 20 0 EHADRM CC[C@@H]1CCc2nc(NC(=O)C3(C(=O)[O-])CC4(CCC4)C3)sc2C1 ZINC001595470407 981168404 /nfs/dbraw/zinc/16/84/04/981168404.db2.gz HWIWYBYVBANOKK-LLVKDONJSA-N -1 0 348.468 3.632 20 0 EHADRM COc1c(NC(=O)c2ccc(CC(C)C)s2)cccc1C(=O)[O-] ZINC000906496668 981169921 /nfs/dbraw/zinc/16/99/21/981169921.db2.gz XBOXWCHVGYMIOE-UHFFFAOYSA-N -1 0 333.409 3.906 20 0 EHADRM CC1=C(C)C[C@@](C)(C(=O)N2CCc3cc(C(=O)[O-])ccc3C2)CC1 ZINC000907761756 981216072 /nfs/dbraw/zinc/21/60/72/981216072.db2.gz XZLGFAKOAPTTNK-FQEVSTJZSA-N -1 0 327.424 3.796 20 0 EHADRM CCCc1ccccc1C(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2 ZINC000907768456 981217249 /nfs/dbraw/zinc/21/72/49/981217249.db2.gz KXLMGBBFOMIQGB-LBPRGKRZSA-N -1 0 344.436 3.537 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)nc1C(=O)[O-] ZINC000907770536 981217689 /nfs/dbraw/zinc/21/76/89/981217689.db2.gz ICTJKNKYJKCTHK-IGQOVBAYSA-N -1 0 348.468 3.640 20 0 EHADRM CC(C)(C)Oc1cccc(NC(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC000907971515 981247634 /nfs/dbraw/zinc/24/76/34/981247634.db2.gz SBQYRUMGSDZEIS-UHFFFAOYSA-N -1 0 327.380 3.743 20 0 EHADRM CC(C)(CC(=O)N1CCc2c1cccc2C(=O)[O-])CC(F)(F)F ZINC000907982900 981250876 /nfs/dbraw/zinc/25/08/76/981250876.db2.gz NTWPLXXNYCXBGJ-UHFFFAOYSA-N -1 0 329.318 3.643 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc3c(c2)CC(=O)C3)cc1C(F)(F)F ZINC001211492303 1014719538 /nfs/dbraw/zinc/71/95/38/1014719538.db2.gz RERNKBHFWFWXMQ-UHFFFAOYSA-N -1 0 335.281 3.815 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N[C@@H](c1ncccc1C)C(C)(C)C ZINC000908122515 981266793 /nfs/dbraw/zinc/26/67/93/981266793.db2.gz SOFVRSVTVCIGKF-HNNXBMFYSA-N -1 0 330.384 3.507 20 0 EHADRM CCCCC[C@@H](C)CC(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC000908164025 981274425 /nfs/dbraw/zinc/27/44/25/981274425.db2.gz DHAMPUTVIOYOJX-XYSPPFBYSA-N -1 0 341.517 3.838 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC000908243627 981287815 /nfs/dbraw/zinc/28/78/15/981287815.db2.gz DGSVEXPNLCXKST-HNNXBMFYSA-N -1 0 329.396 3.527 20 0 EHADRM O=C([O-])[C@H](CNC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)CC1CCCC1 ZINC000908282193 981294618 /nfs/dbraw/zinc/29/46/18/981294618.db2.gz JEOVDVDEZZQUIR-MELADBBJSA-N -1 0 349.393 3.752 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908340626 981305265 /nfs/dbraw/zinc/30/52/65/981305265.db2.gz FJEIVXIANMEFAY-AWEZNQCLSA-N -1 0 335.419 3.546 20 0 EHADRM CC/C(C)=C\C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000908420766 981317235 /nfs/dbraw/zinc/31/72/35/981317235.db2.gz XWNLKKXLQRIGJL-KJJQSCHISA-N -1 0 329.318 3.694 20 0 EHADRM CC/C=C/CCN1Cc2sc(C(=O)[O-])c(Br)c2C1 ZINC001595515014 981319727 /nfs/dbraw/zinc/31/97/27/981319727.db2.gz OZBARQIPWKEIQY-ONEGZZNKSA-N -1 0 330.247 3.881 20 0 EHADRM O=C([O-])Cc1occc1C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000908813494 981367195 /nfs/dbraw/zinc/36/71/95/981367195.db2.gz KGUNCYKXVKNOMW-UHFFFAOYSA-N -1 0 343.379 3.618 20 0 EHADRM C[C@H]1CN(C(=O)C23CCC(C(=O)[O-])(CC2)C3)CC[C@H]1c1ccccc1 ZINC000908831400 981370222 /nfs/dbraw/zinc/37/02/22/981370222.db2.gz JGBKQKHLEBVJFB-NQQMIMOSSA-N -1 0 341.451 3.674 20 0 EHADRM CCC[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1OC)c1ccccc1 ZINC001595536753 981384028 /nfs/dbraw/zinc/38/40/28/981384028.db2.gz DAPIZNGVOWKYEC-OAHLLOKOSA-N -1 0 327.380 3.916 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1ccc(NCc2ccsc2)cc1)C(=O)[O-] ZINC000908968816 981393415 /nfs/dbraw/zinc/39/34/15/981393415.db2.gz NWLLOXUDDJOERD-OAHLLOKOSA-N -1 0 346.452 3.589 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)c2coc(C3CC3)n2)c1 ZINC000909224551 981436375 /nfs/dbraw/zinc/43/63/75/981436375.db2.gz PTXBKRFFROXMCW-UHFFFAOYSA-N -1 0 346.408 3.512 20 0 EHADRM CCC[C@H](C)CCNC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001595573192 981487372 /nfs/dbraw/zinc/48/73/72/981487372.db2.gz JLFIPSFXNMDDTP-HOCLYGCPSA-N -1 0 334.460 3.964 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)C1(C3CCCCC3)CC1)CC2 ZINC000909454024 981497010 /nfs/dbraw/zinc/49/70/10/981497010.db2.gz HSVIDLYJCLVFJM-UHFFFAOYSA-N -1 0 327.424 3.630 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)CC[C@@H]2CCc3ccccc32)C1 ZINC000909486329 981506388 /nfs/dbraw/zinc/50/63/88/981506388.db2.gz FJYUJIPTACFIQW-DLBZAZTESA-N -1 0 343.467 3.846 20 0 EHADRM CCC[C@H](CC)C(=O)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001595586243 981530449 /nfs/dbraw/zinc/53/04/49/981530449.db2.gz TXNUQVPTPHILTP-GXFFZTMASA-N -1 0 331.334 3.774 20 0 EHADRM CCC[C@H](CC(C)C)C(=O)NC[C@H](Cc1cccc(C)c1)C(=O)[O-] ZINC001595586256 981530479 /nfs/dbraw/zinc/53/04/79/981530479.db2.gz UGWSSOVCWVXUAA-MSOLQXFVSA-N -1 0 333.472 3.817 20 0 EHADRM CCC[C@H](CC)C(=O)N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001595586242 981530620 /nfs/dbraw/zinc/53/06/20/981530620.db2.gz TXNUQVPTPHILTP-GWCFXTLKSA-N -1 0 331.334 3.774 20 0 EHADRM Cc1ccc(-c2c[nH]cc2C(=O)NCC2(C(=O)[O-])CCCCC2)s1 ZINC000909526317 981531547 /nfs/dbraw/zinc/53/15/47/981531547.db2.gz OCTSMLYMEDUPSH-UHFFFAOYSA-N -1 0 346.452 3.817 20 0 EHADRM C[C@]1(NC(=O)C2CCC(C(F)(F)F)CC2)CCCC[C@@H]1C(=O)[O-] ZINC000909538873 981536655 /nfs/dbraw/zinc/53/66/55/981536655.db2.gz UQPALYLANJGWLL-KQFUTBAXSA-N -1 0 335.366 3.505 20 0 EHADRM CCC[C@@H](CCc1ccccc1)NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001595590678 981545548 /nfs/dbraw/zinc/54/55/48/981545548.db2.gz CEUJMAPSQWIIBI-RYQLBKOJSA-N -1 0 346.471 3.540 20 0 EHADRM CC[C@H](SC)C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000909692222 981572145 /nfs/dbraw/zinc/57/21/45/981572145.db2.gz BRRNTZRNFAVHMM-HOTGVXAUSA-N -1 0 331.437 3.613 20 0 EHADRM CCC[C@@H](NC(=O)Nc1ccc(OCCC(=O)[O-])cc1)C(C)(C)C ZINC001595600475 981580241 /nfs/dbraw/zinc/58/02/41/981580241.db2.gz QLQVXQBAHXKRFM-OAHLLOKOSA-N -1 0 336.432 3.876 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000909725729 981580779 /nfs/dbraw/zinc/58/07/79/981580779.db2.gz QIMOEUNTHOLAGB-XHSDSOJGSA-N -1 0 339.391 3.695 20 0 EHADRM CCC[C@H](NC(=O)Nc1ccc(C(=O)[O-])nc1)c1ccc(F)cc1F ZINC001595600526 981580896 /nfs/dbraw/zinc/58/08/96/981580896.db2.gz RXQUHAGRZSPOIW-AWEZNQCLSA-N -1 0 349.337 3.721 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N(C)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC001594741034 981608880 /nfs/dbraw/zinc/60/88/80/981608880.db2.gz MCMKFHIJHHOHLX-AWEZNQCLSA-N -1 0 335.787 3.669 20 0 EHADRM CCCC1(CCC)CCCN1C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001595617665 981656314 /nfs/dbraw/zinc/65/63/14/981656314.db2.gz VHWNWKGJBSKZIH-FPCVCCKLSA-N -1 0 336.476 3.630 20 0 EHADRM CCC[C@@H]1C[C@@H](C(=O)O[C@@H](C(=O)[O-])c2ccccc2Cl)CCO1 ZINC001595620416 981689223 /nfs/dbraw/zinc/68/92/23/981689223.db2.gz HLVSDMBXSUFREQ-YWPYICTPSA-N -1 0 340.803 3.604 20 0 EHADRM CCC[C@H]1CCCN1C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001595622751 981713421 /nfs/dbraw/zinc/71/34/21/981713421.db2.gz XDFFRWOYKXIIQS-HOTGVXAUSA-N -1 0 332.444 3.813 20 0 EHADRM O=C([O-])c1coc(CNCc2c(Cl)cccc2OC(F)F)c1 ZINC000683176850 1014760748 /nfs/dbraw/zinc/76/07/48/1014760748.db2.gz ULPLEPRTJPPIOV-UHFFFAOYSA-N -1 0 331.702 3.522 20 0 EHADRM C[C@@H](CC(=O)N1CCCCC[C@@H]1C(=O)[O-])c1c[nH]c2ccccc21 ZINC000910043697 981741625 /nfs/dbraw/zinc/74/16/25/981741625.db2.gz IEHVPVDRSZMPRB-SUMWQHHRSA-N -1 0 328.412 3.517 20 0 EHADRM CCCC[C@@H](C(=O)[O-])N1CCN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001595628263 981783772 /nfs/dbraw/zinc/78/37/72/981783772.db2.gz RYCRSYAGIVWJOV-INIZCTEOSA-N -1 0 348.443 3.892 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)CCCc1ccc(C)cc1 ZINC001594780839 981784896 /nfs/dbraw/zinc/78/48/96/981784896.db2.gz HZJWSVUPSDSVHV-FQEVSTJZSA-N -1 0 331.456 3.810 20 0 EHADRM CC1(C(=O)N2CCC(c3ncc(C(=O)[O-])s3)CC2)CCCCC1 ZINC000910210740 981785528 /nfs/dbraw/zinc/78/55/28/981785528.db2.gz YSMLISFGHFYVAN-UHFFFAOYSA-N -1 0 336.457 3.518 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)C1(Cc2ccc(F)cc2)CC1 ZINC001594781546 981787212 /nfs/dbraw/zinc/78/72/12/981787212.db2.gz KPPLRWOSZKOPAY-LJQANCHMSA-N -1 0 347.430 3.640 20 0 EHADRM CCCC[C@@H](C(=O)[O-])N1CC[C@H]1c1ccc(Br)cc1 ZINC001595628829 981792212 /nfs/dbraw/zinc/79/22/12/981792212.db2.gz NTBIRXAXJKLARC-KBPBESRZSA-N -1 0 326.234 3.839 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(F)c2occc21 ZINC001594789525 981840292 /nfs/dbraw/zinc/84/02/92/981840292.db2.gz BJKFKLIWILXLRA-GOSISDBHSA-N -1 0 333.359 3.677 20 0 EHADRM CCCC[C@@H](C)C(=O)Oc1ccc(C(=O)[O-])cc1Br ZINC001595631518 981840314 /nfs/dbraw/zinc/84/03/14/981840314.db2.gz SFDNBQPMDGDGOM-SECBINFHSA-N -1 0 329.190 3.879 20 0 EHADRM CCCC[C@H](CCC)CNC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001595632586 981857835 /nfs/dbraw/zinc/85/78/35/981857835.db2.gz KCXTZHUUWNLLSB-FRQCXROJSA-N -1 0 338.492 3.879 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(C(F)F)c(F)c1 ZINC001594792227 981860096 /nfs/dbraw/zinc/86/00/96/981860096.db2.gz MIKXRAGESQPSHY-KRWDZBQOSA-N -1 0 343.345 3.869 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H]2CCC(=O)c3ccccc32)cc1 ZINC000910301744 981860155 /nfs/dbraw/zinc/86/01/55/981860155.db2.gz WCVSTJPRHJGRGU-FGTMMUONSA-N -1 0 349.386 3.574 20 0 EHADRM C/C(=C/C1CCC(C)CC1)C(=O)Nc1c(C)nn(CCC(=O)[O-])c1C ZINC000910303252 981862020 /nfs/dbraw/zinc/86/20/20/981862020.db2.gz OKHCZJYGYBAJRO-QBFSEMIESA-N -1 0 347.459 3.686 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cc(C)c2ccccc2n1 ZINC001594794219 981868721 /nfs/dbraw/zinc/86/87/21/981868721.db2.gz XKEPVOQYPALQGS-HXUWFJFHSA-N -1 0 340.423 3.649 20 0 EHADRM CCCC[C@@H](CCC)NC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595633836 981878135 /nfs/dbraw/zinc/87/81/35/981878135.db2.gz XWRUXVIVHKNANW-WDEREUQCSA-N -1 0 327.450 3.560 20 0 EHADRM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)NCc2nc(C(=O)[O-])co2)CC1 ZINC001594797138 981885091 /nfs/dbraw/zinc/88/50/91/981885091.db2.gz VPUJOUKBSJFTDB-FWHMADFJSA-N -1 0 348.443 3.622 20 0 EHADRM CCC(C)(C)C1CCC2(C[C@H]2C(=O)N[C@@H](CC2CC2)C(=O)[O-])CC1 ZINC001594797097 981885249 /nfs/dbraw/zinc/88/52/49/981885249.db2.gz UOAGZGHORHKDOM-FZTQNYJHSA-N -1 0 335.488 3.989 20 0 EHADRM CCCC[C@H](NC(=O)c1ccc(-c2csc(C)n2)s1)C(=O)[O-] ZINC001595636740 981921460 /nfs/dbraw/zinc/92/14/60/981921460.db2.gz OHOWRPPCITZBCL-JTQLQIEISA-N -1 0 338.454 3.553 20 0 EHADRM CCCC[C@@H](NC(=O)c1cccc(NCC(C)(C)C)c1C)C(=O)[O-] ZINC001595637042 981925706 /nfs/dbraw/zinc/92/57/06/981925706.db2.gz LHSFKKIFBTYGIO-MRXNPFEDSA-N -1 0 334.460 3.826 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc(Cl)ccc1Cl)C1CCCC1 ZINC000910566452 981992555 /nfs/dbraw/zinc/99/25/55/981992555.db2.gz GQZUHCLSDURJKA-ZDUSSCGKSA-N -1 0 330.211 3.757 20 0 EHADRM CCCC[C@H](S[C@H](Cc1ccc(Cl)cc1)C(=O)OC)C(=O)[O-] ZINC001595652293 982033642 /nfs/dbraw/zinc/03/36/42/982033642.db2.gz RWTLVTMAVZFQMH-UONOGXRCSA-N -1 0 344.860 3.801 20 0 EHADRM Cc1ccc(C(=O)Nc2nc(CCC(=O)[O-])cs2)c(Cl)c1C ZINC000910645292 982037894 /nfs/dbraw/zinc/03/78/94/982037894.db2.gz XQYIZEOINNGDGR-UHFFFAOYSA-N -1 0 338.816 3.683 20 0 EHADRM CC[C@](C)(NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC001594837179 982042984 /nfs/dbraw/zinc/04/29/84/982042984.db2.gz NHEHMBUHKZSJMB-CKDFRHGISA-N -1 0 347.411 3.937 20 0 EHADRM CCCC[C@H](Sc1cc(Cl)nc([C@H]2CCCO2)n1)C(=O)[O-] ZINC001595656876 982056975 /nfs/dbraw/zinc/05/69/75/982056975.db2.gz FLQCOJIHDHQXEQ-ZJUUUORDSA-N -1 0 330.837 3.717 20 0 EHADRM CC(C)(C(=O)Nc1ccc(Br)c(C(=O)[O-])c1)C1CC1 ZINC000910703000 982072972 /nfs/dbraw/zinc/07/29/72/982072972.db2.gz ABVMSAAWDUDIGA-UHFFFAOYSA-N -1 0 326.190 3.522 20 0 EHADRM CCCCCC(C)(C)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001595662977 982082075 /nfs/dbraw/zinc/08/20/75/982082075.db2.gz NLPLZOIEPYQCJM-DLBZAZTESA-N -1 0 331.456 3.920 20 0 EHADRM CCCCCC(C)(C)CNC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595663509 982085188 /nfs/dbraw/zinc/08/51/88/982085188.db2.gz ZDVRKIALIRJGFA-NSHDSACASA-N -1 0 341.477 3.808 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)c2cccc(C)c2C)nc1C(=O)[O-] ZINC000910722795 982085270 /nfs/dbraw/zinc/08/52/70/982085270.db2.gz MVEMTTXOKUYVGX-CQSZACIVSA-N -1 0 344.436 3.744 20 0 EHADRM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910733033 982095806 /nfs/dbraw/zinc/09/58/06/982095806.db2.gz GPPRMVIMAMCIIS-VHSXEESVSA-N -1 0 348.449 3.831 20 0 EHADRM Cc1cc(F)c(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)cc1F ZINC000910736466 982098489 /nfs/dbraw/zinc/09/84/89/982098489.db2.gz XZYRXRBDOZBDBI-UHFFFAOYSA-N -1 0 338.335 3.558 20 0 EHADRM CC(C)c1ncsc1C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910739561 982100902 /nfs/dbraw/zinc/10/09/02/982100902.db2.gz BFPXDHNXONYCGS-UHFFFAOYSA-N -1 0 337.426 3.551 20 0 EHADRM Cc1cc(F)cc(C)c1C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910741035 982102319 /nfs/dbraw/zinc/10/23/19/982102319.db2.gz CWYBKCPEIBOXCC-UHFFFAOYSA-N -1 0 334.372 3.727 20 0 EHADRM C/C(=C\C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)c1cccs1 ZINC000910741710 982103850 /nfs/dbraw/zinc/10/38/50/982103850.db2.gz KNEQOVHLZHORON-BQYQJAHWSA-N -1 0 334.422 3.822 20 0 EHADRM CCCCCC(C)(C)CNS(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001595666783 982107252 /nfs/dbraw/zinc/10/72/52/982107252.db2.gz RTWCEVUYRGJZAK-UHFFFAOYSA-N -1 0 341.473 3.578 20 0 EHADRM CCCCC[C@H](CC)C(=O)N1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001595669811 982115241 /nfs/dbraw/zinc/11/52/41/982115241.db2.gz JWNLSNKWRCOLPW-ZDUSSCGKSA-N -1 0 336.432 3.685 20 0 EHADRM CCCCC[C@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C)c1ccccc1 ZINC001595673281 982140450 /nfs/dbraw/zinc/14/04/50/982140450.db2.gz VBMRIBVRYVMJOU-XIRDDKMYSA-N -1 0 332.444 3.813 20 0 EHADRM CCCCC[C@H](NC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)c1ccccc1 ZINC001595673362 982141861 /nfs/dbraw/zinc/14/18/61/982141861.db2.gz VUFGCRWNEBJQMA-YLAKUSLOSA-N -1 0 344.455 3.861 20 0 EHADRM CC(C)c1cc(C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)c2ccccc2n1 ZINC000910863009 982152618 /nfs/dbraw/zinc/15/26/18/982152618.db2.gz MTTLCEDJILVQBV-ZIAGYGMSSA-N -1 0 340.423 3.541 20 0 EHADRM CC1(C)C[C@@H]1C(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC000910951389 982174435 /nfs/dbraw/zinc/17/44/35/982174435.db2.gz HOMWZKBOZUOLOW-MRXNPFEDSA-N -1 0 340.423 3.618 20 0 EHADRM CC(C)CC(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC000910957611 982177158 /nfs/dbraw/zinc/17/71/58/982177158.db2.gz SSUMMUHLMWZQLJ-UHFFFAOYSA-N -1 0 328.412 3.618 20 0 EHADRM CC[C@@H](C)[C@@H](C)C(=O)Oc1ccc(C(=O)[O-])cc1Br ZINC001594881087 982234463 /nfs/dbraw/zinc/23/44/63/982234463.db2.gz MNCRXVNAUUYFEY-RKDXNWHRSA-N -1 0 329.190 3.735 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)CCCc1ccc2ccccc2c1)C(=O)[O-] ZINC001594887982 982276697 /nfs/dbraw/zinc/27/66/97/982276697.db2.gz WXQASHMWGJASMK-LIRRHRJNSA-N -1 0 327.424 3.778 20 0 EHADRM CCCCCCOc1cc(C)ccc1CNC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001595710068 982292778 /nfs/dbraw/zinc/29/27/78/982292778.db2.gz BBYBXPOFQHDYDJ-DLBZAZTESA-N -1 0 347.455 3.681 20 0 EHADRM CCCCCCO[C@@H](C)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC001595711346 982299552 /nfs/dbraw/zinc/29/95/52/982299552.db2.gz VGMYKUJGFLLOCQ-JTQLQIEISA-N -1 0 340.445 3.643 20 0 EHADRM O=C([O-])c1coc(/C=C/C(=O)N2CCCCC[C@H]2c2ccncc2)c1 ZINC000911233935 982304790 /nfs/dbraw/zinc/30/47/90/982304790.db2.gz KUVAGWNOZDWNIF-RTRPANQVSA-N -1 0 340.379 3.530 20 0 EHADRM O=C([O-])c1coc(/C=C\C(=O)N2CCCCC[C@H]2c2ccncc2)c1 ZINC000911233934 982304831 /nfs/dbraw/zinc/30/48/31/982304831.db2.gz KUVAGWNOZDWNIF-OSJSJHBBSA-N -1 0 340.379 3.530 20 0 EHADRM CC(C)CCC(=O)N(Cc1ccoc1C(=O)[O-])[C@@H](C)c1ccccn1 ZINC000911326461 982351085 /nfs/dbraw/zinc/35/10/85/982351085.db2.gz CWEPQKLJTKZQDK-AWEZNQCLSA-N -1 0 344.411 3.899 20 0 EHADRM CCCCN(C(=O)NCC1(C(=O)[O-])CC1)[C@@H](CC)c1ccccc1 ZINC001595731755 982364160 /nfs/dbraw/zinc/36/41/60/982364160.db2.gz HLHYNOWTYXLIKO-INIZCTEOSA-N -1 0 332.444 3.814 20 0 EHADRM CCCCN(C(=O)Nc1cccc(C(=O)[O-])n1)[C@@H]1CCC[C@H](C)C1 ZINC001595731968 982365977 /nfs/dbraw/zinc/36/59/77/982365977.db2.gz MLGNPASWADAFQG-UONOGXRCSA-N -1 0 333.432 3.993 20 0 EHADRM CCCCN(C)C(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001595734569 982375831 /nfs/dbraw/zinc/37/58/31/982375831.db2.gz TWALRRJZOJRGAO-UHFFFAOYSA-N -1 0 343.383 3.836 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)Cc1ccc(C2CCCCC2)cc1)C(=O)[O-] ZINC001594908574 982400606 /nfs/dbraw/zinc/40/06/06/982400606.db2.gz IILYUFFFRCKQME-AUUYWEPGSA-N -1 0 331.456 3.892 20 0 EHADRM CCCCN(Cc1ccccc1F)C(=O)Cc1ccccc1C(=O)[O-] ZINC001595747658 982414570 /nfs/dbraw/zinc/41/45/70/982414570.db2.gz HWYRMIYNUBKWJB-UHFFFAOYSA-N -1 0 343.398 3.895 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)c1cc2cccc(Cl)c2s1)C(=O)[O-] ZINC001594912786 982425641 /nfs/dbraw/zinc/42/56/41/982425641.db2.gz ULAUIEWVNZBWAE-PELKAZGASA-N -1 0 325.817 3.784 20 0 EHADRM Cc1cccc([C@H](C)CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC000911427137 982427064 /nfs/dbraw/zinc/42/70/64/982427064.db2.gz GZFRSKLUTWGFKT-APMMTJHUSA-N -1 0 329.440 3.640 20 0 EHADRM CCCCN1CCc2ccc(NC(=O)c3cccc(C(=O)[O-])c3)cc21 ZINC001595750740 982429820 /nfs/dbraw/zinc/42/98/20/982429820.db2.gz CICWQZMVXDEZIA-UHFFFAOYSA-N -1 0 338.407 3.800 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CC[C@H](C2CCCC2)C1)C(=O)[O-] ZINC000911496348 982456170 /nfs/dbraw/zinc/45/61/70/982456170.db2.gz GOHCRMMSISTNLK-ZFWWWQNUSA-N -1 0 347.480 3.904 20 0 EHADRM CCCCO[C@H](C)C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)[O-] ZINC001595765380 982491752 /nfs/dbraw/zinc/49/17/52/982491752.db2.gz NKZKPCKLIJNZKR-MRVPVSSYSA-N -1 0 334.199 3.835 20 0 EHADRM CCCCOc1ccc(-c2nnc(CS[C@H](C)C(=O)[O-])o2)cc1 ZINC001595774118 982527896 /nfs/dbraw/zinc/52/78/96/982527896.db2.gz IALBALZDERFTSQ-LLVKDONJSA-N -1 0 336.413 3.622 20 0 EHADRM CC[C@H](C)[C@@H](Sc1nc2ccccc2c(=O)n1C(C)C)C(=O)[O-] ZINC001594928185 982532689 /nfs/dbraw/zinc/53/26/89/982532689.db2.gz DIHNLAMBNATTGT-SMDDNHRTSA-N -1 0 334.441 3.569 20 0 EHADRM CCCCOc1ccc(/C=C/c2ncncc2C(=O)[O-])cc1OC ZINC001595775437 982535795 /nfs/dbraw/zinc/53/57/95/982535795.db2.gz DMPVMGRQKISPCH-FNORWQNLSA-N -1 0 328.368 3.533 20 0 EHADRM CCCCOc1ccc(C(=O)Nc2cncc(C(=O)[O-])c2)c(Cl)c1 ZINC001595776578 982544639 /nfs/dbraw/zinc/54/46/39/982544639.db2.gz GSDBDXVRHZEFBE-UHFFFAOYSA-N -1 0 348.786 3.864 20 0 EHADRM CCCCOc1ccc(C(=O)Nc2cc(C)c(C(=O)[O-])cn2)cc1 ZINC001595777296 982546387 /nfs/dbraw/zinc/54/63/87/982546387.db2.gz PUBFBJKFSAEGEG-UHFFFAOYSA-N -1 0 328.368 3.519 20 0 EHADRM CC[C@H](C)CC(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001594930942 982557619 /nfs/dbraw/zinc/55/76/19/982557619.db2.gz DEMHCRWHRQXNNO-GXFFZTMASA-N -1 0 331.334 3.774 20 0 EHADRM CCCCOc1cccc(NC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)c1 ZINC001595781274 982562237 /nfs/dbraw/zinc/56/22/37/982562237.db2.gz XCXCPLHSBFEURZ-HNNXBMFYSA-N -1 0 336.432 3.876 20 0 EHADRM CC(C)Oc1cc(O)ccc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000911703799 982605582 /nfs/dbraw/zinc/60/55/82/982605582.db2.gz QTQVRQCPKHBRKE-UHFFFAOYSA-N -1 0 335.400 3.543 20 0 EHADRM CCCCc1ccc(N(C)C(=O)Nc2cccc(CC(=O)[O-])n2)cc1 ZINC001595797537 982607498 /nfs/dbraw/zinc/60/74/98/982607498.db2.gz YTBJGWPBUUGBNQ-UHFFFAOYSA-N -1 0 341.411 3.720 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)COc1ccc(C(C)C)c(C)c1)C(=O)[O-] ZINC001594943544 982622841 /nfs/dbraw/zinc/62/28/41/982622841.db2.gz WWQAIJMZYMEFJZ-CXAGYDPISA-N -1 0 335.444 3.503 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)c1cc(-c2ccccc2)oc1C)C(=O)[O-] ZINC001594944453 982626851 /nfs/dbraw/zinc/62/68/51/982626851.db2.gz FJBJCDYSBQECEL-MLGOLLRUSA-N -1 0 329.396 3.874 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)c1ccc(C)c(C(F)(F)F)c1)C(=O)[O-] ZINC001594945264 982632230 /nfs/dbraw/zinc/63/22/30/982632230.db2.gz AQBLTDLSIPHDTK-RNCFNFMXSA-N -1 0 331.334 3.633 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)c1ccnc2cc(Cl)ccc21)C(=O)[O-] ZINC001594945703 982634882 /nfs/dbraw/zinc/63/48/82/982634882.db2.gz GDHFUMDXOROIJD-MEBBXXQBSA-N -1 0 334.803 3.507 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)c1cc(-n2cccc2)ccc1Cl)C(=O)[O-] ZINC001594946536 982641786 /nfs/dbraw/zinc/64/17/86/982641786.db2.gz XORUHTOBMVKNNR-MLGOLLRUSA-N -1 0 348.830 3.750 20 0 EHADRM CCCN(C(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1)[C@H](C)C(=O)[O-] ZINC001595813025 982652549 /nfs/dbraw/zinc/65/25/49/982652549.db2.gz GIQDNNVIDOMFAI-VXGBXAGGSA-N -1 0 345.361 3.596 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)/C=C/c1ccc(Cl)s1)c1cccs1 ZINC000914731106 982657520 /nfs/dbraw/zinc/65/75/20/982657520.db2.gz QTZRWHCIVKOCBF-DFVUYQKZSA-N -1 0 341.841 3.808 20 0 EHADRM Cc1oc(-c2cccs2)nc1C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000915855154 982669332 /nfs/dbraw/zinc/66/93/32/982669332.db2.gz LVLBCDCHPSJCLI-UHFFFAOYSA-N -1 0 342.376 3.970 20 0 EHADRM CCCN(C(=O)/C=C/c1ccccc1O[C@H](C)CC)[C@H](C)C(=O)[O-] ZINC001595816377 982671770 /nfs/dbraw/zinc/67/17/70/982671770.db2.gz HXBZFFFPZSXEEF-KPWZGGAESA-N -1 0 333.428 3.589 20 0 EHADRM CC[C@H](C)C[C@@H](Nc1ncnc2sc3c(c21)CCCC3)C(=O)[O-] ZINC001594952923 982675349 /nfs/dbraw/zinc/67/53/49/982675349.db2.gz OLJOHANNELKPMK-CMPLNLGQSA-N -1 0 333.457 3.871 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H](c2ccccc2)C2CCCCC2)cn1 ZINC000917143899 982679240 /nfs/dbraw/zinc/67/92/40/982679240.db2.gz WTVWXSPWXHUEBN-GOSISDBHSA-N -1 0 338.407 3.831 20 0 EHADRM CCCN(C(=O)Nc1nn(C)cc1C(=O)[O-])[C@H](CC)c1ccccc1 ZINC001595820559 982686354 /nfs/dbraw/zinc/68/63/54/982686354.db2.gz CZEKVBSDWZZZKP-OAHLLOKOSA-N -1 0 344.415 3.514 20 0 EHADRM CCCN(C(=O)Nc1ccc(C(=O)[O-])nc1)[C@@H]1CCc2ccccc21 ZINC001595822779 982694618 /nfs/dbraw/zinc/69/46/18/982694618.db2.gz NJVPALSTNJZMTM-QGZVFWFLSA-N -1 0 339.395 3.711 20 0 EHADRM CCCN(C(=O)Cc1cccc(C(=O)[O-])c1)c1ccc(CC)cc1 ZINC001595823013 982696094 /nfs/dbraw/zinc/69/60/94/982696094.db2.gz UZDSYVLRPKYKHE-UHFFFAOYSA-N -1 0 325.408 3.933 20 0 EHADRM CCCN(C(=O)c1cc(C)c(C(=O)[O-])o1)[C@@H]1CCc2ccccc21 ZINC001595824629 982706001 /nfs/dbraw/zinc/70/60/01/982706001.db2.gz OLXJHBQTZCMMFH-OAHLLOKOSA-N -1 0 327.380 3.826 20 0 EHADRM O=C([O-])c1cccc2c1CN(C(=O)C1(CCc3ccccc3)CC1)CC2 ZINC000923086314 982715039 /nfs/dbraw/zinc/71/50/39/982715039.db2.gz JVFBNSURAAOXKM-UHFFFAOYSA-N -1 0 349.430 3.683 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)CCCOc1ccc(F)cc1 ZINC000923092302 982717419 /nfs/dbraw/zinc/71/74/19/982717419.db2.gz QYNUHHWYERAQKJ-UHFFFAOYSA-N -1 0 337.372 3.692 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)/C(F)=C\c1ccc(C(F)(F)F)cc1 ZINC001594968203 982732723 /nfs/dbraw/zinc/73/27/23/982732723.db2.gz JDZKYJKLDBCRGW-XNFYSYIQSA-N -1 0 347.308 3.728 20 0 EHADRM O=C([O-])c1ccccc1CCNC(=O)CCCCCc1cccs1 ZINC000923120569 982739566 /nfs/dbraw/zinc/73/95/66/982739566.db2.gz UFVWLVHVLZAPRQ-UHFFFAOYSA-N -1 0 345.464 3.908 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)NCCc2ccccc2C(=O)[O-])cc1 ZINC000923131011 982745730 /nfs/dbraw/zinc/74/57/30/982745730.db2.gz ZSHHEGAJZURHCM-CQSZACIVSA-N -1 0 341.407 3.535 20 0 EHADRM CC[C@@H](C)N1C(=O)N[C@H](c2c(F)cccc2Cl)C(C(=O)[O-])=C1C ZINC001594985091 982796169 /nfs/dbraw/zinc/79/61/69/982796169.db2.gz GLBLCEYEXMPQQM-CLAHSXSESA-N -1 0 340.782 3.703 20 0 EHADRM CC[C@@H](C)N1C(=O)N[C@@H](c2c(F)cccc2Cl)C(C(=O)[O-])=C1C ZINC001594985094 982796385 /nfs/dbraw/zinc/79/63/85/982796385.db2.gz GLBLCEYEXMPQQM-XLKFXECMSA-N -1 0 340.782 3.703 20 0 EHADRM CC[C@@H](C)N1C(=O)N[C@@H](c2cc(C)c(OC)c(C)c2)C(C(=O)[O-])=C1C ZINC001594985208 982798327 /nfs/dbraw/zinc/79/83/27/982798327.db2.gz JSXIZBFDIUGZSV-WBMJQRKESA-N -1 0 346.427 3.535 20 0 EHADRM O=C([O-])CCC1(NC(=O)c2sccc2C(F)F)CCCCC1 ZINC000923214768 982845673 /nfs/dbraw/zinc/84/56/73/982845673.db2.gz UPNWNESWYHUGFA-UHFFFAOYSA-N -1 0 331.384 3.983 20 0 EHADRM CC[C@H](C)NC(=O)c1ccc(NCc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC001594992504 982863146 /nfs/dbraw/zinc/86/31/46/982863146.db2.gz XTKDNHDXOVYJFZ-AWEZNQCLSA-N -1 0 340.423 3.834 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC001595000414 982912325 /nfs/dbraw/zinc/91/23/25/982912325.db2.gz WCHODRJYYHPBFJ-VLIAUNLRSA-N -1 0 341.407 3.594 20 0 EHADRM CC[C@@H](C)Oc1ccc(NC(=O)c2ccsc2CC(=O)[O-])cc1 ZINC001595007673 982925587 /nfs/dbraw/zinc/92/55/87/982925587.db2.gz FJQQTBVROCRDLM-LLVKDONJSA-N -1 0 333.409 3.805 20 0 EHADRM CCCN(c1ncc(C(=O)[O-])cn1)[C@@H](C)c1cc2ccccc2o1 ZINC001595894379 982928526 /nfs/dbraw/zinc/92/85/26/982928526.db2.gz ATVNAGKFRQVJHL-LBPRGKRZSA-N -1 0 325.368 3.899 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CC[C@@H]2CCCC[C@@H]2C1)C(=O)[O-] ZINC001116480905 982931139 /nfs/dbraw/zinc/93/11/39/982931139.db2.gz VOWUBUOUOVLVRS-SOUVJXGZSA-N -1 0 347.480 3.904 20 0 EHADRM CN(CCC(F)(F)F)Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001118251593 982948468 /nfs/dbraw/zinc/94/84/68/982948468.db2.gz GULZPEROKHWRGG-UHFFFAOYSA-N -1 0 344.358 3.893 20 0 EHADRM Cc1nc2ccc(NC(=O)C34CCC(C(=O)[O-])(CC3)C4)cc2s1 ZINC001119581156 982991105 /nfs/dbraw/zinc/99/11/05/982991105.db2.gz XRSGHBGVNMVSSO-UHFFFAOYSA-N -1 0 330.409 3.578 20 0 EHADRM Cc1ccccc1C1(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)CC1 ZINC001119584857 982993721 /nfs/dbraw/zinc/99/37/21/982993721.db2.gz IFGVIRMWKVOSFT-UHFFFAOYSA-N -1 0 342.420 3.697 20 0 EHADRM Cc1oc2ccc([N-]S(=O)(=O)c3cn(C(C)C)cn3)cc2c1C ZINC000187055916 1014910224 /nfs/dbraw/zinc/91/02/24/1014910224.db2.gz BSRKPYZUGDGGKM-UHFFFAOYSA-N -1 0 333.413 3.628 20 0 EHADRM CCCOc1ccc(C(=O)Nc2scc(C)c2C(=O)[O-])c(OC)c1 ZINC001595954537 983138703 /nfs/dbraw/zinc/13/87/03/983138703.db2.gz MEKKYHHMLLSMAF-UHFFFAOYSA-N -1 0 349.408 3.804 20 0 EHADRM CCCOc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2C)c(OC)c1 ZINC001595954911 983142718 /nfs/dbraw/zinc/14/27/18/983142718.db2.gz SGKWAZYPPHLALM-UHFFFAOYSA-N -1 0 343.379 3.743 20 0 EHADRM CCCOc1ccc(NC(=O)NC2(CC(=O)[O-])CCCC2)cc1C ZINC001595961042 983156343 /nfs/dbraw/zinc/15/63/43/983156343.db2.gz RATAZVNJGFOHJX-UHFFFAOYSA-N -1 0 334.416 3.693 20 0 EHADRM CCCOc1ccc(OCC(=O)Nc2sc(C)cc2C(=O)[O-])cc1 ZINC001595967010 983176838 /nfs/dbraw/zinc/17/68/38/983176838.db2.gz ZQPSOPRXIHTSIY-UHFFFAOYSA-N -1 0 349.408 3.561 20 0 EHADRM CCCSc1cccc(NC(=O)NC(CC)(CC)CC(=O)[O-])n1 ZINC001595987369 983238388 /nfs/dbraw/zinc/23/83/88/983238388.db2.gz GBBAHNZMGRLKNO-UHFFFAOYSA-N -1 0 339.461 3.739 20 0 EHADRM CCCSc1cccc(NC(=O)CC2(CC(=O)[O-])CCCC2)n1 ZINC001595988031 983242164 /nfs/dbraw/zinc/24/21/64/983242164.db2.gz VXIBVZXXOJMQNM-UHFFFAOYSA-N -1 0 336.457 3.947 20 0 EHADRM CCCc1c(C(=O)N2CC(C)(C)c3ccccc32)[nH]c(C)c1C(=O)[O-] ZINC001596031349 983303320 /nfs/dbraw/zinc/30/33/20/983303320.db2.gz WBCHFCAQKSVOLM-UHFFFAOYSA-N -1 0 340.423 3.912 20 0 EHADRM CCCc1c(C(=O)N[C@H]2C[C@H]2C2CCCCC2)[nH]c(C)c1C(=O)[O-] ZINC001596036263 983312462 /nfs/dbraw/zinc/31/24/62/983312462.db2.gz HKVZOBLCLGLZHL-GJZGRUSLSA-N -1 0 332.444 3.672 20 0 EHADRM CCCc1c(NCc2ccoc2C(=O)[O-])cnn1-c1ccccc1 ZINC001596049954 983347123 /nfs/dbraw/zinc/34/71/23/983347123.db2.gz ADGWLYCIOUOWMI-UHFFFAOYSA-N -1 0 325.368 3.728 20 0 EHADRM CCCc1cc(=O)[nH]c(C(=Cc2ccc(C=CC(=O)[O-])o2)CC)n1 ZINC001596049978 983347806 /nfs/dbraw/zinc/34/78/06/983347806.db2.gz BQIUPNMKWXKBPJ-CDKJVOIVSA-N -1 0 328.368 3.776 20 0 EHADRM CCCc1cc(=O)[nH]c(C(=Cc2ccc(C=CC(=O)[O-])o2)CC)n1 ZINC001596049979 983347958 /nfs/dbraw/zinc/34/79/58/983347958.db2.gz BQIUPNMKWXKBPJ-DMGFJBLZSA-N -1 0 328.368 3.776 20 0 EHADRM CCCc1cc(C(=O)N2c3cccc(C)c3C[C@@H]2C(=O)[O-])sc1C ZINC001596053313 983354828 /nfs/dbraw/zinc/35/48/28/983354828.db2.gz PSMRWXFFWAJREL-MRXNPFEDSA-N -1 0 343.448 3.974 20 0 EHADRM CCCc1cc(C(=O)NC[C@H](CC(C)C)C(=O)[O-])ccc1Cl ZINC001596055321 983358477 /nfs/dbraw/zinc/35/84/77/983358477.db2.gz PEFQZEIJKDIOQK-AWEZNQCLSA-N -1 0 325.836 3.769 20 0 EHADRM CCCc1ccc(CCCC(=O)NCc2cc(C(=O)[O-])c(C)o2)cc1 ZINC001596062241 983371655 /nfs/dbraw/zinc/37/16/55/983371655.db2.gz CBIGHOCSOBJVES-UHFFFAOYSA-N -1 0 343.423 3.878 20 0 EHADRM CCCc1ccc([C@@H](NC(=O)c2cc(C(=O)[O-])ccn2)C(C)C)cc1 ZINC001596062932 983373931 /nfs/dbraw/zinc/37/39/31/983373931.db2.gz NGVMYBRUIZVOET-SFHVURJKSA-N -1 0 340.423 3.859 20 0 EHADRM CCCc1ccc(OC(=O)Cn2cc(C(=O)[O-])c3ccccc32)cc1 ZINC001596068401 983381765 /nfs/dbraw/zinc/38/17/65/983381765.db2.gz BGZNHLUFGMTRSX-UHFFFAOYSA-N -1 0 337.375 3.898 20 0 EHADRM CCCc1ccc(NC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])cc1 ZINC001596069144 983383420 /nfs/dbraw/zinc/38/34/20/983383420.db2.gz QVJURWSTKKLFOZ-UHFFFAOYSA-N -1 0 336.391 4.000 20 0 EHADRM CCCc1nc(C)c(C(=O)N2CCCc3ccc(C(=O)[O-])cc32)s1 ZINC001596077293 983393405 /nfs/dbraw/zinc/39/34/05/983393405.db2.gz HGHKRTWGUKSTJV-UHFFFAOYSA-N -1 0 344.436 3.695 20 0 EHADRM CCCc1csc(NC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])n1 ZINC001596082710 983402395 /nfs/dbraw/zinc/40/23/95/983402395.db2.gz YMMARLZBEWRAAM-BXUZGUMPSA-N -1 0 347.440 3.679 20 0 EHADRM CCCc1occc1C(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C ZINC001596102848 983429096 /nfs/dbraw/zinc/42/90/96/983429096.db2.gz ZELYGVDIJRIBNA-UHFFFAOYSA-N -1 0 341.363 3.950 20 0 EHADRM CCCn1c(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)cc2ccccc21 ZINC001596108156 983433363 /nfs/dbraw/zinc/43/33/63/983433363.db2.gz QQPXOTWRWQLVOC-SFHVURJKSA-N -1 0 342.439 3.815 20 0 EHADRM CCN(C(=O)CSCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001596143083 983496198 /nfs/dbraw/zinc/49/61/98/983496198.db2.gz LIRLZXQVVODALO-UHFFFAOYSA-N -1 0 329.421 3.671 20 0 EHADRM CCN(C(=O)CNc1cc(C(=O)[O-])ccc1Cl)C1CCCCC1 ZINC001596145180 983500312 /nfs/dbraw/zinc/50/03/12/983500312.db2.gz ALVFPUDXEDRKGN-UHFFFAOYSA-N -1 0 338.835 3.631 20 0 EHADRM CCN(C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)[C@H](C)C(C)C ZINC001596150063 983509246 /nfs/dbraw/zinc/50/92/46/983509246.db2.gz AWSFGKDECCRKBO-CQSZACIVSA-N -1 0 347.459 3.883 20 0 EHADRM CCN(C(=O)[C@H]1CCCC[C@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001596156752 983516350 /nfs/dbraw/zinc/51/63/50/983516350.db2.gz JUDZPHPIBPYALS-UONOGXRCSA-N -1 0 343.345 3.949 20 0 EHADRM CCN(C(=O)Nc1ccsc1C(=O)[O-])[C@@H](C)Cc1ccsc1 ZINC001596158346 983520912 /nfs/dbraw/zinc/52/09/12/983520912.db2.gz OJYYDSZHGIOBLK-JTQLQIEISA-N -1 0 338.454 3.993 20 0 EHADRM CCN(C(=O)c1cc(C(=O)[O-])co1)c1cccc(C(F)(F)F)c1 ZINC001596160704 983523845 /nfs/dbraw/zinc/52/38/45/983523845.db2.gz GLWJARJDAPMAIK-UHFFFAOYSA-N -1 0 327.258 3.663 20 0 EHADRM CCN(C(=O)c1sc2ccc(OC)cc2c1C)C(C)(C)C(=O)[O-] ZINC001596174705 983541030 /nfs/dbraw/zinc/54/10/30/983541030.db2.gz JVIRWSSAKRYSHJ-UHFFFAOYSA-N -1 0 335.425 3.544 20 0 EHADRM CCN(C)C(=O)c1cccc(N[C@@H](C)c2cc(C(=O)[O-])cs2)c1 ZINC001596187959 983561085 /nfs/dbraw/zinc/56/10/85/983561085.db2.gz JBXCVOWNDMBOMO-NSHDSACASA-N -1 0 332.425 3.711 20 0 EHADRM CCN(CC)C(=S)S[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001596253937 983659844 /nfs/dbraw/zinc/65/98/44/983659844.db2.gz QLXRTNHKPGCFQW-LBPRGKRZSA-N -1 0 331.890 3.696 20 0 EHADRM CCN(CCC(=O)[O-])c1nc(C)nc2scc(-c3ccccc3)c21 ZINC001596318652 983750170 /nfs/dbraw/zinc/75/01/70/983750170.db2.gz NWPQERMRVMKMRV-UHFFFAOYSA-N -1 0 341.436 3.968 20 0 EHADRM CCN(Cc1c[nH]c2ccccc12)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC001596354568 983820429 /nfs/dbraw/zinc/82/04/29/983820429.db2.gz YCQGGROMVGGSKX-UHFFFAOYSA-N -1 0 340.383 3.557 20 0 EHADRM CCN(Cc1ccc(C(=O)[O-])c2cccnc12)[C@H](C)C(F)(F)F ZINC001596357571 983828604 /nfs/dbraw/zinc/82/86/04/983828604.db2.gz IRXQYHQPRBKRQY-SNVBAGLBSA-N -1 0 326.318 3.706 20 0 EHADRM CCN(Cc1ccccc1)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001596370986 983865867 /nfs/dbraw/zinc/86/58/67/983865867.db2.gz AAHSKYGEXNJWMY-UHFFFAOYSA-N -1 0 330.359 3.507 20 0 EHADRM O=S(=O)(/C=C\c1ccc(F)cc1)[N-]c1nc2ccccc2s1 ZINC000254913061 1015005418 /nfs/dbraw/zinc/00/54/18/1015005418.db2.gz XNHCOPZPKVOMBL-KTKRTIGZSA-N -1 0 334.397 3.848 20 0 EHADRM CCOC(=O)[C@@H](Sc1nc2ccc(C(=O)[O-])cc2o1)C(C)(C)C ZINC001596544602 984401150 /nfs/dbraw/zinc/40/11/50/984401150.db2.gz SFBFHFSMEVFLAZ-GFCCVEGCSA-N -1 0 337.397 3.596 20 0 EHADRM CCOC(=O)C1CCC(S[C@@H](C(=O)[O-])c2ccccc2F)CC1 ZINC001596570953 984465800 /nfs/dbraw/zinc/46/58/00/984465800.db2.gz WTOQDAONFGFIOM-KOHJWAIASA-N -1 0 340.416 3.807 20 0 EHADRM CCOC(=O)Cc1cccc(NCc2cccc(C(=O)[O-])c2Cl)c1 ZINC001596634782 984622928 /nfs/dbraw/zinc/62/29/28/984622928.db2.gz YTBKGHLTQLSHMF-UHFFFAOYSA-N -1 0 347.798 3.756 20 0 EHADRM C/C(=C/C(=O)N[C@H](CC(=O)[O-])c1cccc(C)c1)c1ccc(F)cc1 ZINC001588939264 984628491 /nfs/dbraw/zinc/62/84/91/984628491.db2.gz MOPDDGJBDRVDNQ-DEQJRXDXSA-N -1 0 341.382 3.870 20 0 EHADRM C/C(=C/C(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1)c1cccs1 ZINC001588939662 984630786 /nfs/dbraw/zinc/63/07/86/984630786.db2.gz RDPAAVGNHINPRI-WVUXNXBLSA-N -1 0 329.421 3.792 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)/C=C\CCc1ccccc1 ZINC001599886706 984644756 /nfs/dbraw/zinc/64/47/56/984644756.db2.gz XGSDRBBEAFMHTO-BAPRJRNISA-N -1 0 337.419 3.677 20 0 EHADRM C/C(=C/C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O)c1cccc(F)c1 ZINC001588944213 984645746 /nfs/dbraw/zinc/64/57/46/984645746.db2.gz SAKZKBPUBKZNRB-UITAMQMPSA-N -1 0 349.745 3.925 20 0 EHADRM C/C(=C/C1CCC(C)CC1)C(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001588956578 984706542 /nfs/dbraw/zinc/70/65/42/984706542.db2.gz UMAFGVVCYICVJW-LCYFTJDESA-N -1 0 333.403 3.913 20 0 EHADRM C[C@H](NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)C1CCCCCC1 ZINC001599894033 984730909 /nfs/dbraw/zinc/73/09/09/984730909.db2.gz LMDAQCNRGGJOLN-KSSFIOAISA-N -1 0 344.455 3.739 20 0 EHADRM C/C(=C\CN[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)C(=O)[O-] ZINC001588982140 984876068 /nfs/dbraw/zinc/87/60/68/984876068.db2.gz OULRTINWXLVSTK-ZPMKCOPCSA-N -1 0 325.689 3.703 20 0 EHADRM C/C(=C/c1c(Cl)cccc1Cl)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001588995938 984930271 /nfs/dbraw/zinc/93/02/71/984930271.db2.gz XCRQEMRSPCLQQM-QGNYPYLESA-N -1 0 342.222 3.718 20 0 EHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC001588997679 984932137 /nfs/dbraw/zinc/93/21/37/984932137.db2.gz AEMKJIGVGILAEM-CSKARUKUSA-N -1 0 331.755 3.786 20 0 EHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001588997836 984932947 /nfs/dbraw/zinc/93/29/47/984932947.db2.gz DUHQWLDUJJYJCT-SEYXRHQNSA-N -1 0 343.810 3.800 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001588999447 984937969 /nfs/dbraw/zinc/93/79/69/984937969.db2.gz VJIYTLDPHVOLSX-DDKJEQMHSA-N -1 0 333.403 3.626 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)c2ccc(F)cc2C(F)(F)F)(C(=O)[O-])CC1 ZINC001599907610 984942997 /nfs/dbraw/zinc/94/29/97/984942997.db2.gz ILTKJMUVEBLEOP-AZKDTHOKSA-N -1 0 347.308 3.608 20 0 EHADRM C/C(=C\c1ccncc1)C(=O)Nc1c(C)cc(Cl)cc1C(=O)[O-] ZINC001589010840 984983775 /nfs/dbraw/zinc/98/37/75/984983775.db2.gz QICPGKQOFAYGLX-YRNVUSSQSA-N -1 0 330.771 3.784 20 0 EHADRM C/C(=C\c1ccco1)c1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC001589010885 984984109 /nfs/dbraw/zinc/98/41/09/984984109.db2.gz RYIAVKDYGYSKOZ-DHZHZOJOSA-N -1 0 326.308 3.500 20 0 EHADRM C/C(=C/c1ccco1)C(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21 ZINC001589010862 984984234 /nfs/dbraw/zinc/98/42/34/984984234.db2.gz RDJYHIZVZVLGKX-PEXIBSCHSA-N -1 0 339.391 3.677 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(SC(F)F)cc2)C[C@]1(C)C(=O)[O-] ZINC001599922578 985156134 /nfs/dbraw/zinc/15/61/34/985156134.db2.gz WKNVJLQYAWZVIK-VFZGTOFNSA-N -1 0 344.383 3.576 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(-c3ccco3)cc2F)C[C@]1(C)C(=O)[O-] ZINC001599922769 985159708 /nfs/dbraw/zinc/15/97/08/985159708.db2.gz VIZZVKZFMOCDAJ-VOJFVSQTSA-N -1 0 346.358 3.660 20 0 EHADRM CCO[C@@H](C(=O)Oc1ccc(C(=O)[O-])cc1Cl)c1ccccc1 ZINC001596766171 985169141 /nfs/dbraw/zinc/16/91/41/985169141.db2.gz MGHSVPZKYGIGIA-OAHLLOKOSA-N -1 0 334.755 3.721 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(C3CCCCC3)cc2)C[C@]1(C)C(=O)[O-] ZINC001599925579 985194892 /nfs/dbraw/zinc/19/48/92/985194892.db2.gz IRFJGSIWOGNQJH-XOBRGWDASA-N -1 0 329.440 3.917 20 0 EHADRM C[C@]1(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)C[C@@H]1c1ccccc1 ZINC001599937774 985417047 /nfs/dbraw/zinc/41/70/47/985417047.db2.gz GVWBHXPIYKJTSB-JYLXEMOASA-N -1 0 349.430 3.507 20 0 EHADRM CCO[C@@H]1C[C@](NC(=O)c2ccc([C@@H](C)CC)cc2)(C(=O)[O-])C1(C)C ZINC001596827583 985442015 /nfs/dbraw/zinc/44/20/15/985442015.db2.gz IRUMCHHKNIYCMO-OWZDWXTDSA-N -1 0 347.455 3.588 20 0 EHADRM CC(=O)Nc1c(C)ccc(NCc2[nH]cc(C(=O)[O-])c2C2CC2)c1C ZINC001589165282 985503978 /nfs/dbraw/zinc/50/39/78/985503978.db2.gz CHUVAHMOFWWJPD-UHFFFAOYSA-N -1 0 341.411 3.778 20 0 EHADRM Cc1[nH]c(C(=O)CN(C)c2cccc(C(C)C)c2)c(C)c1C(=O)[O-] ZINC001599944655 985504278 /nfs/dbraw/zinc/50/42/78/985504278.db2.gz ORPNWTNTQNZARS-UHFFFAOYSA-N -1 0 328.412 3.772 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cnc(C(=O)[O-])c(Cl)c2)[C@@H]1c1ccccc1 ZINC001594481494 985528429 /nfs/dbraw/zinc/52/84/29/985528429.db2.gz CFBKQNIDDFUAAD-BMIGLBTASA-N -1 0 345.786 3.658 20 0 EHADRM CCO[C@H]1C[C@H](Nc2cc(COC)cc(C(=O)[O-])c2)C12CCCC2 ZINC001596843943 985537452 /nfs/dbraw/zinc/53/74/52/985537452.db2.gz XMCZTWZFQCBMMU-IRXDYDNUSA-N -1 0 333.428 3.681 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)Sc2nc3ccccc3o2)c(C)c1C(=O)[O-] ZINC001599947741 985557315 /nfs/dbraw/zinc/55/73/15/985557315.db2.gz GYCRDXYJFCXNTH-JTQLQIEISA-N -1 0 344.392 3.834 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)Sc2ccc3c(c2)CCO3)c(C)c1C(=O)[O-] ZINC001599948985 985575374 /nfs/dbraw/zinc/57/53/74/985575374.db2.gz UTXHRPDLEYSLMR-NSHDSACASA-N -1 0 345.420 3.628 20 0 EHADRM Cc1[nH]c(C(=O)CSC[C@H]2CCC(F)(F)C2)c(C)c1C(=O)[O-] ZINC001599949668 985585890 /nfs/dbraw/zinc/58/58/90/985585890.db2.gz NVFCFAPZNAOHLZ-JTQLQIEISA-N -1 0 331.384 3.681 20 0 EHADRM Cc1[nH]c(C(=O)CS[C@@H]2CCOc3ccccc32)c(C)c1C(=O)[O-] ZINC001599949753 985587598 /nfs/dbraw/zinc/58/75/98/985587598.db2.gz SGQXRMXFPDKUPZ-OAHLLOKOSA-N -1 0 345.420 3.769 20 0 EHADRM Cc1[nH]c(C(=O)N2CCC[C@H]2/C=C\c2ccccc2)c(C)c1C(=O)[O-] ZINC001599950467 985600015 /nfs/dbraw/zinc/60/00/15/985600015.db2.gz LFVIAFUIMSHLRO-SNGWPZLWSA-N -1 0 338.407 3.648 20 0 EHADRM CC(=O)Nc1ccc(N[C@@H](C)CC(C)(C)CC(=O)[O-])cc1Cl ZINC001589199613 985635995 /nfs/dbraw/zinc/63/59/95/985635995.db2.gz VIHYKHIDHZOCTG-JTQLQIEISA-N -1 0 326.824 3.990 20 0 EHADRM C[C@@H]1CN(C)c2ccccc2N(Cc2ccc(C(=O)[O-])cc2F)C1 ZINC001594507444 985729048 /nfs/dbraw/zinc/72/90/48/985729048.db2.gz NWMBPMRORDPORF-CYBMUJFWSA-N -1 0 328.387 3.616 20 0 EHADRM Cc1[nH]c(CN2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)cc1C(=O)[O-] ZINC001599961394 985788781 /nfs/dbraw/zinc/78/87/81/985788781.db2.gz DXZUEUWTWWXRNM-PIGZYNQJSA-N -1 0 348.830 3.637 20 0 EHADRM CCOCCC1(C(=O)Nc2ccc(F)c(C(=O)[O-])c2C)CCCC1 ZINC001596899325 985869160 /nfs/dbraw/zinc/86/91/60/985869160.db2.gz VDNBWEHYKKECBF-UHFFFAOYSA-N -1 0 337.391 3.758 20 0 EHADRM Cc1[nH]c2ccc(OCC(=O)Nc3ccc(C(=O)[O-])cc3)cc2c1C ZINC001599966737 985920783 /nfs/dbraw/zinc/92/07/83/985920783.db2.gz XSPRZXRJKANYTN-UHFFFAOYSA-N -1 0 338.363 3.500 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])[nH]c1NC(=O)/C=C\[C@]1(C)CC[C@@H](C)C1(C)C ZINC001589261299 985920837 /nfs/dbraw/zinc/92/08/37/985920837.db2.gz FZCMPYNBWONILK-XXYPBJPSSA-N -1 0 346.427 3.873 20 0 EHADRM CC(=O)c1cc(C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)ccc1C ZINC001589267594 985948380 /nfs/dbraw/zinc/94/83/80/985948380.db2.gz FKTBWZSGVRQVEZ-GFCCVEGCSA-N -1 0 330.336 3.715 20 0 EHADRM CC(=O)c1cc(C(=O)O[C@H](C(=O)[O-])c2ccccc2Cl)ccc1C ZINC001589267822 985949347 /nfs/dbraw/zinc/94/93/47/985949347.db2.gz JGOUDSSQNLMBCT-INIZCTEOSA-N -1 0 346.766 3.834 20 0 EHADRM Cc1c(=O)[nH]c(S[C@@H](CC(C)C)C(=O)[O-])nc1-c1ccccc1 ZINC001599969676 985981817 /nfs/dbraw/zinc/98/18/17/985981817.db2.gz PONMPKNMHJDDEW-ZDUSSCGKSA-N -1 0 332.425 3.749 20 0 EHADRM CC(=O)c1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C)c2C)s1 ZINC001589278321 985997547 /nfs/dbraw/zinc/99/75/47/985997547.db2.gz AGQZUJYWSRUOBK-HNNXBMFYSA-N -1 0 332.377 3.550 20 0 EHADRM C[C@H](NC(=O)N=c1[n-]ncs1)c1ccccc1Oc1ccccc1 ZINC000510114886 1015187865 /nfs/dbraw/zinc/18/78/65/1015187865.db2.gz BMZQUPFKRGDICF-LBPRGKRZSA-N -1 0 340.408 3.635 20 0 EHADRM CC(=O)c1nn(C(C)C)cc1OCc1cc(C(=O)[O-])ccc1Cl ZINC001589322714 986136552 /nfs/dbraw/zinc/13/65/52/986136552.db2.gz KZYBBSRPALQKNC-UHFFFAOYSA-N -1 0 336.775 3.597 20 0 EHADRM C[C@H]1CN(Cc2ccccc2CC(=O)[O-])c2cc(Cl)ccc2O1 ZINC001594546041 986214755 /nfs/dbraw/zinc/21/47/55/986214755.db2.gz YEPKHAYWJLDYNM-LBPRGKRZSA-N -1 0 331.799 3.755 20 0 EHADRM Cc1c(C(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)ccn1C(C)C ZINC001599985763 986225943 /nfs/dbraw/zinc/22/59/43/986225943.db2.gz YJTSMMLUGQYNNF-UHFFFAOYSA-N -1 0 333.413 3.662 20 0 EHADRM CCOc1c(Cl)cccc1CC(=O)Oc1cccc(C(=O)[O-])c1 ZINC001596992479 986276826 /nfs/dbraw/zinc/27/68/26/986276826.db2.gz JDVKCDBMYOCYRC-UHFFFAOYSA-N -1 0 334.755 3.585 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)C(F)(F)c1ccccc1C ZINC001597008661 986335538 /nfs/dbraw/zinc/33/55/38/986335538.db2.gz AAVXFRUWCVSYPR-UHFFFAOYSA-N -1 0 349.333 3.822 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)CO[C@H]1CCCC[C@H]1CC ZINC001597015835 986371787 /nfs/dbraw/zinc/37/17/87/986371787.db2.gz IZJKUPXVHIQVAK-CJNGLKHVSA-N -1 0 349.427 3.707 20 0 EHADRM C[C@H](C(=O)N1CCc2c1cccc2C(=O)[O-])c1cn(C)c2ccccc12 ZINC001589364369 986384265 /nfs/dbraw/zinc/38/42/65/986384265.db2.gz GKXNEXJBHDHPBL-ZDUSSCGKSA-N -1 0 348.402 3.569 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NC[C@H]1CCCC1(C)C ZINC001597020790 986404536 /nfs/dbraw/zinc/40/45/36/986404536.db2.gz GVFYBMBFWKSLOD-CYBMUJFWSA-N -1 0 334.416 3.731 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@H]1CC12CCCCC2 ZINC001597021709 986413279 /nfs/dbraw/zinc/41/32/79/986413279.db2.gz MIMPNZGCHOVKNA-HNNXBMFYSA-N -1 0 332.400 3.628 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001597021840 986414344 /nfs/dbraw/zinc/41/43/44/986414344.db2.gz CIHKRKXLXNJLII-CABCVRRESA-N -1 0 325.364 3.526 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC001597022280 986419899 /nfs/dbraw/zinc/41/98/99/986419899.db2.gz QOQCBABINGXRAE-UMVBOHGHSA-N -1 0 346.427 3.874 20 0 EHADRM C[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccsc1)c1ccc(Cl)s1 ZINC001589378130 986439608 /nfs/dbraw/zinc/43/96/08/986439608.db2.gz CBLXVUWGACMMFJ-HQJQHLMTSA-N -1 0 329.830 3.509 20 0 EHADRM C[C@H](C(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1)c1ccccn1 ZINC001589386177 986484398 /nfs/dbraw/zinc/48/43/98/986484398.db2.gz UFXQVELNYQBHIY-HOCLYGCPSA-N -1 0 332.444 3.505 20 0 EHADRM CCOc1cc(CNc2ccc(C)c(C(=O)[O-])c2)c(F)cc1OC ZINC001597038501 986486264 /nfs/dbraw/zinc/48/62/64/986486264.db2.gz QMCQGYBQSZOVHA-UHFFFAOYSA-N -1 0 333.359 3.852 20 0 EHADRM CC(C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F)=C1CCC1 ZINC001589387882 986494389 /nfs/dbraw/zinc/49/43/89/986494389.db2.gz KNJLSXAWMKKCSV-CYBMUJFWSA-N -1 0 327.302 3.605 20 0 EHADRM CCOc1ccc(C(=O)Nc2c(Cl)ccc(F)c2C(=O)[O-])cc1 ZINC001597061490 986549250 /nfs/dbraw/zinc/54/92/50/986549250.db2.gz CZHTWBMNRQLWPZ-UHFFFAOYSA-N -1 0 337.734 3.828 20 0 EHADRM C[C@H](C(=O)NC[C@H](C(=O)[O-])C1CCCCCC1)c1ccccc1F ZINC001589401960 986575447 /nfs/dbraw/zinc/57/54/47/986575447.db2.gz ZKCLOXAFBZLJHT-BBRMVZONSA-N -1 0 335.419 3.717 20 0 EHADRM C[C@@H](C(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001589409941 986608372 /nfs/dbraw/zinc/60/83/72/986608372.db2.gz NZKIGQPLLNZAOH-GFCCVEGCSA-N -1 0 331.799 3.501 20 0 EHADRM Clc1ccc2c(c1)[C@H](N=c1nc(C3CCOCC3)[n-]s1)CCC2 ZINC000624767935 1015234872 /nfs/dbraw/zinc/23/48/72/1015234872.db2.gz LVRLBWUUPUOVKQ-OAHLLOKOSA-N -1 0 349.887 3.997 20 0 EHADRM CC(C)c1nc(NC(=O)c2ccc3c(c2)C[C@H](C)O3)sc1C(=O)[O-] ZINC001594615144 986631246 /nfs/dbraw/zinc/63/12/46/986631246.db2.gz LRUYGEGZUHKNNS-VIFPVBQESA-N -1 0 346.408 3.540 20 0 EHADRM C[C@@H]1Cc2cc(C(=O)Nc3cc(Cl)c(F)c(C(=O)[O-])c3)ccc2O1 ZINC001594616806 986637233 /nfs/dbraw/zinc/63/72/33/986637233.db2.gz WXUWSEQBASNEBD-MRVPVSSYSA-N -1 0 349.745 3.753 20 0 EHADRM C[C@@H]1Cc2cccc(C(=O)Nc3scc(C4CC4)c3C(=O)[O-])c2O1 ZINC001594619165 986647427 /nfs/dbraw/zinc/64/74/27/986647427.db2.gz AFERGRZEESEQCQ-SECBINFHSA-N -1 0 343.404 3.899 20 0 EHADRM C[C@H]1Cc2cccc(C(=O)Nc3cc(F)c(Cl)c(C(=O)[O-])c3)c2O1 ZINC001594620116 986655861 /nfs/dbraw/zinc/65/58/61/986655861.db2.gz LNXSUARPTSHDBJ-QMMMGPOBSA-N -1 0 349.745 3.753 20 0 EHADRM C[C@@H](C(=O)Nc1cc(Br)ccc1C(=O)[O-])C1CCCC1 ZINC001589428159 986698547 /nfs/dbraw/zinc/69/85/47/986698547.db2.gz BXGKLXPKOOHVRD-SECBINFHSA-N -1 0 340.217 3.912 20 0 EHADRM C[C@@H](C(=O)Nc1c(F)ccc(F)c1C(=O)[O-])c1ccc(F)cc1F ZINC001589428615 986703069 /nfs/dbraw/zinc/70/30/69/986703069.db2.gz GZSNGMSIOFDHOV-SSDOTTSWSA-N -1 0 341.260 3.683 20 0 EHADRM CCOc1ccc(COC(=O)c2cc(C)cc(C(=O)[O-])c2)c(C)c1 ZINC001597105922 986743325 /nfs/dbraw/zinc/74/33/25/986743325.db2.gz XOVFSZFZLKDBGI-UHFFFAOYSA-N -1 0 328.364 3.757 20 0 EHADRM C[C@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)c1ccsc1 ZINC001589435496 986746018 /nfs/dbraw/zinc/74/60/18/986746018.db2.gz JZTHDGLUOXVRHQ-ZETCQYMHSA-N -1 0 327.764 3.981 20 0 EHADRM C[C@H](C(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC001589435999 986749210 /nfs/dbraw/zinc/74/92/10/986749210.db2.gz PASZMUSQLZFELE-NSHDSACASA-N -1 0 333.334 3.724 20 0 EHADRM CCOc1ccc(NC(=O)CC(C2CC2)C2CC2)c(C(=O)[O-])c1F ZINC001597111478 986765253 /nfs/dbraw/zinc/76/52/53/986765253.db2.gz DXFWKRLYMIDKFB-UHFFFAOYSA-N -1 0 335.375 3.687 20 0 EHADRM C[C@H](C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)c1ccc(F)cc1F ZINC001589439676 986778217 /nfs/dbraw/zinc/77/82/17/986778217.db2.gz ZNTHGBAAQZUTQO-CIISACIHSA-N -1 0 345.345 3.895 20 0 EHADRM C[C@H](C(=O)Nc1cccc(C(=O)[O-])n1)c1c(Cl)cccc1Cl ZINC001589439861 986780575 /nfs/dbraw/zinc/78/05/75/986780575.db2.gz MXYWYSNDKCXTHM-QMMMGPOBSA-N -1 0 339.178 3.829 20 0 EHADRM CCOc1ccc(NC(=O)[C@H](C)Sc2ccc(C(=O)[O-])cc2)cc1 ZINC001597113394 986786201 /nfs/dbraw/zinc/78/62/01/986786201.db2.gz SGCQWKQVJOARRI-LBPRGKRZSA-N -1 0 345.420 3.903 20 0 EHADRM CCOc1ccc(NC(=O)Cc2cc(C)ccc2F)c(C(=O)[O-])c1F ZINC001597118119 986796120 /nfs/dbraw/zinc/79/61/20/986796120.db2.gz PUXBTSLSLXIMBT-UHFFFAOYSA-N -1 0 349.333 3.551 20 0 EHADRM CCOc1ccc(NC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)cc1Cl ZINC001597118016 986796420 /nfs/dbraw/zinc/79/64/20/986796420.db2.gz CGCJBBGNACWJPB-ZDUSSCGKSA-N -1 0 342.823 3.750 20 0 EHADRM CCOc1ccc(NC(=S)Nc2ccc(C(=O)[O-])cc2OC)cc1 ZINC001597123727 986826916 /nfs/dbraw/zinc/82/69/16/986826916.db2.gz QLKUXUDAZBCRGF-UHFFFAOYSA-N -1 0 346.408 3.601 20 0 EHADRM CCOc1ccc(NC(=O)c2coc3ccccc23)c(C(=O)[O-])c1F ZINC001597124141 986829014 /nfs/dbraw/zinc/82/90/14/986829014.db2.gz WMAYTZJJCBPIML-UHFFFAOYSA-N -1 0 343.310 3.921 20 0 EHADRM CCOc1ccc([C@@H]2C[C@H]2NC(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC001597139839 986882762 /nfs/dbraw/zinc/88/27/62/986882762.db2.gz IWUCTFJRULTVQD-UONOGXRCSA-N -1 0 346.408 3.523 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)[C@H](F)CC1CCCCC1)c1ccccc1 ZINC001589455301 986893953 /nfs/dbraw/zinc/89/39/53/986893953.db2.gz XQLYGRFLZXMOCH-IAOVAPTHSA-N -1 0 335.419 3.873 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)Nc1ccc2cc[nH]c2c1)c1ccccc1 ZINC001589457969 986898510 /nfs/dbraw/zinc/89/85/10/986898510.db2.gz CKTQXXRWGOMHEB-SJCJKPOMSA-N -1 0 337.379 3.751 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Nc1ccc(C(F)F)nc1)c1ccccc1 ZINC001589458500 986903180 /nfs/dbraw/zinc/90/31/80/986903180.db2.gz ORZHMQYODCSDJN-YGRLFVJLSA-N -1 0 349.337 3.603 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)C[C@]1(C)CC1(Cl)Cl)c1ccccc1 ZINC001589459220 986907722 /nfs/dbraw/zinc/90/77/22/986907722.db2.gz XSAJXZUTDOSJLX-VZJVUDMVSA-N -1 0 344.238 3.539 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1ccc(C(C)(C)C)cn1)c1ccccc1 ZINC001589461544 986911886 /nfs/dbraw/zinc/91/18/86/986911886.db2.gz GGTRAXQKBUYENS-GUYCJALGSA-N -1 0 340.423 3.571 20 0 EHADRM CCOc1cccc(/C=C\C(=O)N(CC2CC2)[C@](C)(CC)C(=O)[O-])c1 ZINC001597150271 986926430 /nfs/dbraw/zinc/92/64/30/986926430.db2.gz PSXSXGMEIWMZMY-ZCPJJFRWSA-N -1 0 345.439 3.590 20 0 EHADRM CCOc1cccc(CN[C@H](C(=O)[O-])c2ccc3ccccc3c2)n1 ZINC001597155875 986954544 /nfs/dbraw/zinc/95/45/44/986954544.db2.gz UTMSPGAVMWYXBR-IBGZPJMESA-N -1 0 336.391 3.549 20 0 EHADRM C[C@H]1c2cc(F)cc(F)c2CCN1Cc1ccc(C(=O)[O-])cc1F ZINC001594666167 986963147 /nfs/dbraw/zinc/96/31/47/986963147.db2.gz PORBTJZSRZIXSR-JTQLQIEISA-N -1 0 335.325 3.921 20 0 EHADRM CCOc1cccc(NC(=O)Nc2cc(COC)cc(C(=O)[O-])c2)c1 ZINC001597161597 986967780 /nfs/dbraw/zinc/96/77/80/986967780.db2.gz HIQYZOJTSZXCMP-UHFFFAOYSA-N -1 0 344.367 3.574 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)c1ccc2c(c1)-c1ccccc1C2)C1CCC1 ZINC001589478882 987002186 /nfs/dbraw/zinc/00/21/86/987002186.db2.gz NZTDAHQFFUVUFX-ZDUSSCGKSA-N -1 0 335.403 3.726 20 0 EHADRM CCOc1ccccc1CCC(=O)Nc1scc(C)c1C(=O)[O-] ZINC001597173679 987021715 /nfs/dbraw/zinc/02/17/15/987021715.db2.gz NTEQRRBBNAXDKN-UHFFFAOYSA-N -1 0 333.409 3.725 20 0 EHADRM C/C=C\C[C@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])cc2N(C)C)C1 ZINC001594685580 987054991 /nfs/dbraw/zinc/05/49/91/987054991.db2.gz FQFRHHLIKOVRAQ-WSNITJDQSA-N -1 0 345.443 3.661 20 0 EHADRM C/C=C/C[C@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])cc2N(C)C)C1 ZINC001594685579 987055309 /nfs/dbraw/zinc/05/53/09/987055309.db2.gz FQFRHHLIKOVRAQ-NNTXTVRGSA-N -1 0 345.443 3.661 20 0 EHADRM C/C=C/COc1cccc(CC(=O)Nc2cc(C(=O)[O-])sc2C)c1 ZINC001594688971 987071852 /nfs/dbraw/zinc/07/18/52/987071852.db2.gz KHULMVNJPTWAHS-ONEGZZNKSA-N -1 0 345.420 3.891 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)Cc2nsc3ccccc32)cc1 ZINC001589504876 987116382 /nfs/dbraw/zinc/11/63/82/987116382.db2.gz OSGHAHMCUXVLSE-NSHDSACASA-N -1 0 340.404 3.666 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)Nc2cc(C3CCCC3)[nH]n2)cc1 ZINC001589513049 987154475 /nfs/dbraw/zinc/15/44/75/987154475.db2.gz YDKSMQUCCMTPJJ-NSHDSACASA-N -1 0 342.399 3.899 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NCC[C@@H]2CCC(C)(C)CO2)cc1 ZINC001589513730 987160474 /nfs/dbraw/zinc/16/04/74/987160474.db2.gz XHQSFMDMLIEMJR-CJNGLKHVSA-N -1 0 348.443 3.592 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cccc(C(F)(F)F)n2)cc1 ZINC001589521409 987166210 /nfs/dbraw/zinc/16/62/10/987166210.db2.gz NUEULIVHYPJJIH-SECBINFHSA-N -1 0 338.285 3.541 20 0 EHADRM CCC(=O)c1ccc(C(=O)Nc2c(F)ccc(F)c2C(=O)[O-])cc1 ZINC001594717502 987194454 /nfs/dbraw/zinc/19/44/54/987194454.db2.gz YEJWVCWHSZXZAC-UHFFFAOYSA-N -1 0 333.290 3.508 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001589531119 987199697 /nfs/dbraw/zinc/19/96/97/987199697.db2.gz BCERWKWZQKBQAC-CZUORRHYSA-N -1 0 348.443 3.686 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2ccccc2OC(F)F)c1 ZINC001589531150 987199867 /nfs/dbraw/zinc/19/98/67/987199867.db2.gz BRZDRDVYVDRLAA-SNVBAGLBSA-N -1 0 335.306 3.728 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cnccc2C(F)(F)F)c1 ZINC001589532750 987218235 /nfs/dbraw/zinc/21/82/35/987218235.db2.gz VIPZSXHKYPCNMF-SECBINFHSA-N -1 0 338.285 3.541 20 0 EHADRM CC[C@H](C(=O)N(C)C(C)(C)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001594724866 987223702 /nfs/dbraw/zinc/22/37/02/987223702.db2.gz DTCPXAPALZTGTG-ZDUSSCGKSA-N -1 0 345.361 3.911 20 0 EHADRM CC[C@H](C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)C1CCC(C)CC1 ZINC001594729572 987243790 /nfs/dbraw/zinc/24/37/90/987243790.db2.gz UQWFCLFFABLCFZ-SGXPDQMBSA-N -1 0 335.488 3.942 20 0 EHADRM CCS[C@@H](C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)C(C)C ZINC001597251871 987245911 /nfs/dbraw/zinc/24/59/11/987245911.db2.gz YWNQVZNDAKPKJU-GFCCVEGCSA-N -1 0 333.812 3.894 20 0 EHADRM CC[C@@H](C(=O)NCC(C)(C)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001594733450 987253750 /nfs/dbraw/zinc/25/37/50/987253750.db2.gz ANVFPQYPNAXERI-CYBMUJFWSA-N -1 0 345.361 3.816 20 0 EHADRM CC[C@@H](C(=O)Nc1c(F)c(OC)ccc1C(=O)[O-])c1ccc(F)cc1 ZINC001594737280 987279669 /nfs/dbraw/zinc/27/96/69/987279669.db2.gz SNMXTQMNFVMQIN-GFCCVEGCSA-N -1 0 349.333 3.804 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)c1cc(C(=O)[O-])ccn1 ZINC001597272676 987322435 /nfs/dbraw/zinc/32/24/35/987322435.db2.gz IQTZNUAXAHYKAX-UHFFFAOYSA-N -1 0 336.800 3.798 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)c1ccoc1CC(=O)[O-] ZINC001597273377 987328008 /nfs/dbraw/zinc/32/80/08/987328008.db2.gz SVMNSMQEORUIMH-UHFFFAOYSA-N -1 0 339.800 3.924 20 0 EHADRM CC[C@@H](NC(=O)NCc1ccc(C(=O)[O-])s1)c1ccc(F)cc1 ZINC001597285898 987363251 /nfs/dbraw/zinc/36/32/51/987363251.db2.gz FYFHNHCXULTCRT-CYBMUJFWSA-N -1 0 336.388 3.536 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)N1CCC[C@H](C2CC2)C1)c1ccccc1 ZINC001589594662 987411430 /nfs/dbraw/zinc/41/14/30/987411430.db2.gz QOVDAVWNKHETQO-DLBZAZTESA-N -1 0 344.455 3.670 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)COc2cccc3ccccc32)cc1 ZINC000254974906 1015304825 /nfs/dbraw/zinc/30/48/25/1015304825.db2.gz MEVUYGGUHVGSDC-RAXLEYEMSA-N -1 0 347.370 3.955 20 0 EHADRM CCc1[nH]c(C(=O)NCc2cc3cc(C)ccc3o2)c(C)c1C(=O)[O-] ZINC001597369499 987555070 /nfs/dbraw/zinc/55/50/70/987555070.db2.gz XPYLGYZZTGWVNA-UHFFFAOYSA-N -1 0 340.379 3.568 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N2CCC[C@@H](CCF)C2)cc1 ZINC001589636553 987555767 /nfs/dbraw/zinc/55/57/67/987555767.db2.gz YTAOVTMRONIIIY-ZDUSSCGKSA-N -1 0 336.407 3.652 20 0 EHADRM CCc1[nH]c(C(=O)N[C@H](CC)c2ccc(C)c(F)c2)c(C)c1C(=O)[O-] ZINC001597385792 987597893 /nfs/dbraw/zinc/59/78/93/987597893.db2.gz QYOXFWLBGJREQU-CQSZACIVSA-N -1 0 346.402 3.912 20 0 EHADRM CCc1[nH]ccc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001597398562 987652916 /nfs/dbraw/zinc/65/29/16/987652916.db2.gz NLTBXHJPNAGQOS-KRWDZBQOSA-N -1 0 342.439 3.820 20 0 EHADRM CCc1c(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)cnn1CC(C)C ZINC001597400503 987663534 /nfs/dbraw/zinc/66/35/34/987663534.db2.gz CKYKRLONTDLAEX-UHFFFAOYSA-N -1 0 340.383 3.517 20 0 EHADRM CCc1c2ccccc2oc1C(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001597411513 987699726 /nfs/dbraw/zinc/69/97/26/987699726.db2.gz CTJFTMQGOZUTQK-UHFFFAOYSA-N -1 0 339.347 3.954 20 0 EHADRM CCc1cc(Br)ccc1NCc1ccc(C(=O)[O-])n1C ZINC001597424603 987747618 /nfs/dbraw/zinc/74/76/18/987747618.db2.gz SLWXOUVUWFDAGV-UHFFFAOYSA-N -1 0 337.217 3.660 20 0 EHADRM CCc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)ccc1O ZINC001597433432 987775333 /nfs/dbraw/zinc/77/53/33/987775333.db2.gz AYRLRHFEKCUYPD-UHFFFAOYSA-N -1 0 343.379 3.692 20 0 EHADRM CCc1cc(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)c(C)nn1 ZINC001597436765 987780300 /nfs/dbraw/zinc/78/03/00/987780300.db2.gz CFRUGFQTKMIGKW-UHFFFAOYSA-N -1 0 341.392 3.513 20 0 EHADRM CCc1cc(C(=O)Nc2cccc(SCCC(=O)[O-])c2)ccc1O ZINC001597437528 987784723 /nfs/dbraw/zinc/78/47/23/987784723.db2.gz OTNQMFVBHROXGR-UHFFFAOYSA-N -1 0 345.420 3.774 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC001589699890 987788626 /nfs/dbraw/zinc/78/86/26/987788626.db2.gz HRGOVBSEHBBHRE-ZACQAIPSSA-N -1 0 331.456 3.651 20 0 EHADRM CC(C)(C)[C@H](NC(=O)NC[C@@H](CC(=O)[O-])C1CC1)c1ccccc1 ZINC001589715365 987853005 /nfs/dbraw/zinc/85/30/05/987853005.db2.gz BEGKKTZBSGBBQM-NVXWUHKLSA-N -1 0 332.444 3.574 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1C[C@H](C)OC2(CCCC2)C1 ZINC001597453214 987854107 /nfs/dbraw/zinc/85/41/07/987854107.db2.gz MXOIVWDFLIEERL-ZDUSSCGKSA-N -1 0 346.427 3.513 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001597457371 987873738 /nfs/dbraw/zinc/87/37/38/987873738.db2.gz JSCNQIMRSCYHFG-UPJWGTAASA-N -1 0 338.354 3.503 20 0 EHADRM CC(C)(C)[C@@H](Sc1n[nH]c(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC001589723307 987899355 /nfs/dbraw/zinc/89/93/55/987899355.db2.gz VPBBYOYXCAHVBD-JTQLQIEISA-N -1 0 325.821 3.717 20 0 EHADRM CC(C)(C)[C@H]1C[C@@H](Nc2cc(C(=O)[O-])cc3cccnc32)CCO1 ZINC001589725819 987902254 /nfs/dbraw/zinc/90/22/54/987902254.db2.gz BGWDDCLKDQVUJE-GOEBONIOSA-N -1 0 328.412 3.939 20 0 EHADRM CC(C)(C)[C@@H]1C[C@H](Nc2cc(C(=O)[O-])cc3cccnc32)CCO1 ZINC001589725823 987902497 /nfs/dbraw/zinc/90/24/97/987902497.db2.gz BGWDDCLKDQVUJE-ZBFHGGJFSA-N -1 0 328.412 3.939 20 0 EHADRM CC(C)(C)C1CCC(CC(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)CC1 ZINC001589726850 987915700 /nfs/dbraw/zinc/91/57/00/987915700.db2.gz SBDZIKQKSDMAAZ-UHFFFAOYSA-N -1 0 349.475 3.884 20 0 EHADRM CC(C)(C)[C@H]1CCC[C@H]1NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001589727942 987926030 /nfs/dbraw/zinc/92/60/30/987926030.db2.gz COTMJXFQJOKNIQ-GXFFZTMASA-N -1 0 340.370 3.999 20 0 EHADRM CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001589728181 987927848 /nfs/dbraw/zinc/92/78/48/987927848.db2.gz FVAWBFDDGYAWAB-IRXDYDNUSA-N -1 0 331.456 3.896 20 0 EHADRM CS[C@H]1CC[C@H](NC(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)C1 ZINC001599787419 987947471 /nfs/dbraw/zinc/94/74/71/987947471.db2.gz DQPXNJHEPJZXGM-JSGCOSHPSA-N -1 0 344.436 3.944 20 0 EHADRM CC(C)(C)[C@@H]1CCN1C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001589732811 987968825 /nfs/dbraw/zinc/96/88/25/987968825.db2.gz YDPADEJZFFSSHE-NSHDSACASA-N -1 0 328.771 3.830 20 0 EHADRM CC(C)(C)[C@@H]1CN([C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)CCO1 ZINC001589733897 987975266 /nfs/dbraw/zinc/97/52/66/987975266.db2.gz ASCZJPIHWJINCK-KBPBESRZSA-N -1 0 345.361 3.578 20 0 EHADRM CC(C)(C)[C@H]1CCc2sc(C(=O)NC3CC(CC(=O)[O-])C3)cc2C1 ZINC001589733872 987975276 /nfs/dbraw/zinc/97/52/76/987975276.db2.gz ANIFKJIELYPFRS-QRMWWUJWSA-N -1 0 349.496 3.882 20 0 EHADRM CS[C@@H]1CCC[C@@H](NC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC001599789292 987979234 /nfs/dbraw/zinc/97/92/34/987979234.db2.gz RLCRYYAKUJVAHX-LVQVYYBASA-N -1 0 348.468 3.670 20 0 EHADRM CC(C)(C)[C@@H]1CN(C(=O)Nc2cccc(C(=O)[O-])n2)c2ccccc21 ZINC001589735339 987985542 /nfs/dbraw/zinc/98/55/42/987985542.db2.gz SCLUFLVABNUNNJ-CYBMUJFWSA-N -1 0 339.395 3.962 20 0 EHADRM CS[C@H]1CCC[C@H](Nc2cc(C(F)(F)F)c(C(=O)[O-])cn2)C1 ZINC001599789984 987990289 /nfs/dbraw/zinc/99/02/89/987990289.db2.gz YMVXFUHPDZSOGI-IUCAKERBSA-N -1 0 334.363 3.885 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)C1CCC(c2ccccc2)CC1)C(=O)[O-] ZINC001589743079 988021487 /nfs/dbraw/zinc/02/14/87/988021487.db2.gz CFVNNDCALYVHOD-JCYILVPMSA-N -1 0 331.456 3.966 20 0 EHADRM CCc1ccc(-c2nc(C(=O)OCCCCC(=O)[O-])cs2)cc1 ZINC001597492940 988034665 /nfs/dbraw/zinc/03/46/65/988034665.db2.gz ZJABURMIUWXHOS-UHFFFAOYSA-N -1 0 333.409 3.784 20 0 EHADRM CCc1ccc(C(=O)CCC(=O)O[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC001597498448 988044972 /nfs/dbraw/zinc/04/49/72/988044972.db2.gz CFIRRWVGESCZID-KRWDZBQOSA-N -1 0 346.404 3.643 20 0 EHADRM CCc1ccc(C(=O)[O-])c(OC(=O)CCc2nc3ccccc3o2)c1 ZINC001597506752 988078565 /nfs/dbraw/zinc/07/85/65/988078565.db2.gz KUZFUELPUVWYLI-UHFFFAOYSA-N -1 0 339.347 3.627 20 0 EHADRM CSCC[C@H](C)NC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001599795351 988087956 /nfs/dbraw/zinc/08/79/56/988087956.db2.gz LOPCSIQSKMBKHU-NSHDSACASA-N -1 0 342.486 3.517 20 0 EHADRM CCc1ccc([C@H](C)C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001597511736 988092817 /nfs/dbraw/zinc/09/28/17/988092817.db2.gz GNMMAEFQRXTJTQ-KBXCAEBGSA-N -1 0 331.456 3.750 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)Nc2cccc(C(=O)[O-])c2N)cc1 ZINC001597512007 988095526 /nfs/dbraw/zinc/09/55/26/988095526.db2.gz OGXNRYFSDCRILW-GFCCVEGCSA-N -1 0 326.396 3.662 20 0 EHADRM CCc1ccc([C@H](C)C(=O)OCc2nc(C)c(C(=O)[O-])s2)cc1 ZINC001597512025 988096235 /nfs/dbraw/zinc/09/62/35/988096235.db2.gz OVYBNTBYYUQIRN-JTQLQIEISA-N -1 0 333.409 3.559 20 0 EHADRM CCc1ccc([C@H](COC)N[C@@H](C(=O)[O-])c2cccc(Cl)c2)o1 ZINC001597513053 988103745 /nfs/dbraw/zinc/10/37/45/988103745.db2.gz JDSBRMBADPVJEC-GOEBONIOSA-N -1 0 337.803 3.598 20 0 EHADRM CSCCCC(=O)O[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001599797683 988123706 /nfs/dbraw/zinc/12/37/06/988123706.db2.gz SKEGOAMHKQPJMG-GFCCVEGCSA-N -1 0 337.224 3.806 20 0 EHADRM CCc1ccc([C@@H]2CN([C@H](C)c3ncc(C(=O)[O-])s3)CCO2)cc1 ZINC001597519781 988141339 /nfs/dbraw/zinc/14/13/39/988141339.db2.gz AVVBHLVFVGFAGR-DOMZBBRYSA-N -1 0 346.452 3.538 20 0 EHADRM CCc1ccc(N(CC(=O)Nc2ccccc2C(=O)[O-])C(C)C)cc1 ZINC001597530525 988185698 /nfs/dbraw/zinc/18/56/98/988185698.db2.gz FGXQCTGTIDDNBU-UHFFFAOYSA-N -1 0 340.423 3.801 20 0 EHADRM CSCCc1ccccc1NC(=O)NCc1cc(C)c(C(=O)[O-])o1 ZINC001599801785 988189105 /nfs/dbraw/zinc/18/91/05/988189105.db2.gz AVWUHDZYPCTSLD-UHFFFAOYSA-N -1 0 348.424 3.513 20 0 EHADRM CSCc1ccc(C(=O)Oc2ccc(CC(=O)[O-])cc2F)cc1 ZINC001599802890 988206938 /nfs/dbraw/zinc/20/69/38/988206938.db2.gz YGROWHBHLBIQSU-UHFFFAOYSA-N -1 0 334.368 3.535 20 0 EHADRM CCc1ccc(NC(=O)C(F)(F)c2ccc(OC)cc2)c(C(=O)[O-])c1 ZINC001597543042 988236376 /nfs/dbraw/zinc/23/63/76/988236376.db2.gz PVDUHMTVLCKDDK-UHFFFAOYSA-N -1 0 349.333 3.686 20 0 EHADRM CCc1ccc(NC(=O)[C@@H]2Cc3ccc(C)cc3S2)c(C(=O)[O-])c1 ZINC001597543032 988236403 /nfs/dbraw/zinc/23/64/03/988236403.db2.gz PQNIOSYALSPZFZ-KRWDZBQOSA-N -1 0 341.432 3.911 20 0 EHADRM CC(C)CC1(C(=O)[N-]S(=O)(=O)/C=C\c2ccccc2)CCCC1 ZINC000254989264 1015373177 /nfs/dbraw/zinc/37/31/77/1015373177.db2.gz IDWKAMJMTUHDMV-RAXLEYEMSA-N -1 0 335.469 3.710 20 0 EHADRM CSc1c(F)cc(NC(=O)c2ccsc2CC(=O)[O-])cc1F ZINC001599806416 988263649 /nfs/dbraw/zinc/26/36/49/988263649.db2.gz VCFXMODMMDGUAG-UHFFFAOYSA-N -1 0 343.376 3.628 20 0 EHADRM CSc1cc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2C)ccc1F ZINC001599807065 988272464 /nfs/dbraw/zinc/27/24/64/988272464.db2.gz FVPRFLUMRZMBBJ-UHFFFAOYSA-N -1 0 337.347 3.946 20 0 EHADRM CSc1cc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)c(C)o1 ZINC001599807467 988279624 /nfs/dbraw/zinc/27/96/24/988279624.db2.gz ONESHGQEYQEWML-UHFFFAOYSA-N -1 0 327.308 3.539 20 0 EHADRM CSc1cc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c(C)o1 ZINC001599807801 988284867 /nfs/dbraw/zinc/28/48/67/988284867.db2.gz XDMOEEWCWJCJJP-UHFFFAOYSA-N -1 0 325.773 3.914 20 0 EHADRM CSc1cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)ccc1F ZINC001599808015 988288033 /nfs/dbraw/zinc/28/80/33/988288033.db2.gz ZTLRVLYCGDFGKW-CQSZACIVSA-N -1 0 338.331 3.669 20 0 EHADRM CCc1ccc2c(c1)CN(C(=O)c1cc(C(=O)[O-])ccc1Cl)CC2 ZINC001597568289 988323237 /nfs/dbraw/zinc/32/32/37/988323237.db2.gz ASESAKHPLUWZFM-UHFFFAOYSA-N -1 0 343.810 3.799 20 0 EHADRM CCc1ccc2c(c1)[C@H](OC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)CCO2 ZINC001597569138 988330779 /nfs/dbraw/zinc/33/07/79/988330779.db2.gz QTKDLPQSVKZTAD-CKEIUWERSA-N -1 0 332.396 3.507 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)COc1cccc(Cl)c1 ZINC001597571329 988350549 /nfs/dbraw/zinc/35/05/49/988350549.db2.gz CDUIXWCIFUAZIT-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)/C=C/c1ccc(Cl)nc1 ZINC001597571749 988351511 /nfs/dbraw/zinc/35/15/11/988351511.db2.gz GMQUZPLTGFOVAG-VQHVLOKHSA-N -1 0 330.771 3.648 20 0 EHADRM CCc1cccc(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)c1O ZINC001597575959 988363303 /nfs/dbraw/zinc/36/33/03/988363303.db2.gz GJMGUZUUWPAMLR-UHFFFAOYSA-N -1 0 337.734 3.698 20 0 EHADRM CSc1ccc(CCCC(=O)Nc2cc(C)[nH]c2C(=O)[O-])cc1 ZINC001599813393 988377054 /nfs/dbraw/zinc/37/70/54/988377054.db2.gz ZOUGJMJMKRZRJK-UHFFFAOYSA-N -1 0 332.425 3.705 20 0 EHADRM CCc1cccc(CC)c1NC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001597584903 988392661 /nfs/dbraw/zinc/39/26/61/988392661.db2.gz INJIJCJXFSOUHF-UHFFFAOYSA-N -1 0 332.425 3.893 20 0 EHADRM CC(C)(C)OC(=O)C1(NCc2csc(C(=O)[O-])c2)CCCCC1 ZINC001589857563 988415163 /nfs/dbraw/zinc/41/51/63/988415163.db2.gz QAIPSPYDQKLEDV-UHFFFAOYSA-N -1 0 339.457 3.581 20 0 EHADRM CSc1ccc(NC(=O)[C@@H]2CCC(=O)[C@@H](C)C2(C)C)cc1C(=O)[O-] ZINC001599816079 988427201 /nfs/dbraw/zinc/42/72/01/988427201.db2.gz PMHWCPXNPHFNLD-MFKMUULPSA-N -1 0 349.452 3.687 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1ccc(C(F)(F)F)nc1 ZINC001597594321 988432674 /nfs/dbraw/zinc/43/26/74/988432674.db2.gz SZANMKUUKXAINK-UHFFFAOYSA-N -1 0 338.285 3.613 20 0 EHADRM CSc1ccc(NC(=O)c2ccc(F)c(F)c2F)cc1C(=O)[O-] ZINC001599817230 988448320 /nfs/dbraw/zinc/44/83/20/988448320.db2.gz IBWVZZAVVKPFGI-UHFFFAOYSA-N -1 0 341.310 3.776 20 0 EHADRM CSc1ccc(NC(=O)c2cc3ccsc3[nH]2)cc1C(=O)[O-] ZINC001599817982 988460969 /nfs/dbraw/zinc/46/09/69/988460969.db2.gz XCYQTTNCFHIWKU-UHFFFAOYSA-N -1 0 332.406 3.902 20 0 EHADRM CSc1ccc(NC(=O)N[C@H]2CCCC3(CC3)C2)cc1C(=O)[O-] ZINC001599818313 988466370 /nfs/dbraw/zinc/46/63/70/988466370.db2.gz QNMIMVFEYUGRBL-LBPRGKRZSA-N -1 0 334.441 3.951 20 0 EHADRM CCc1cccc2c1OCC[C@H]2NC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001597603500 988467783 /nfs/dbraw/zinc/46/77/83/988467783.db2.gz GAXDYEWOTSQYQY-QGZVFWFLSA-N -1 0 339.391 3.509 20 0 EHADRM CCc1ccccc1CC(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-] ZINC001597609328 988493866 /nfs/dbraw/zinc/49/38/66/988493866.db2.gz MDAFDOYVUKYOST-UHFFFAOYSA-N -1 0 335.762 3.921 20 0 EHADRM CSc1ccc([C@H](C)NC(=O)c2ccccc2CCC(=O)[O-])cc1 ZINC001599820884 988510982 /nfs/dbraw/zinc/51/09/82/988510982.db2.gz DYHCIKFFPMTZQT-ZDUSSCGKSA-N -1 0 343.448 3.917 20 0 EHADRM CSc1cccc(F)c1CNC(=O)Nc1cccc(C(=O)[O-])c1C ZINC001599821766 988526807 /nfs/dbraw/zinc/52/68/07/988526807.db2.gz HNWSBWATPCDEDA-UHFFFAOYSA-N -1 0 348.399 3.876 20 0 EHADRM CSc1ccsc1C(=O)N[C@H](CC(=O)[O-])c1cccc(C)c1 ZINC001599826554 988606386 /nfs/dbraw/zinc/60/63/86/988606386.db2.gz QQABGQVOBHLZPB-GFCCVEGCSA-N -1 0 335.450 3.724 20 0 EHADRM CCc1cnccc1[C@@H](C)NC(=O)Nc1cccc(C(=O)[O-])c1C ZINC001597637113 988621467 /nfs/dbraw/zinc/62/14/67/988621467.db2.gz WKGHCVOZCGNNMQ-GFCCVEGCSA-N -1 0 327.384 3.533 20 0 EHADRM CCc1nc(C)c([C@@H](C)OC(=O)c2ccc(C(=O)[O-])cc2F)s1 ZINC001597657600 988719022 /nfs/dbraw/zinc/71/90/22/988719022.db2.gz NEJKQUGJSWBLSJ-SECBINFHSA-N -1 0 337.372 3.769 20 0 EHADRM CCc1nc(NC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)sc1C(=O)[O-] ZINC001597678692 988800762 /nfs/dbraw/zinc/80/07/62/988800762.db2.gz UULHCATYGNHFCJ-XPTSAGLGSA-N -1 0 344.383 3.558 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cn1)c1cccc2ccccc21 ZINC001599840121 988811924 /nfs/dbraw/zinc/81/19/24/988811924.db2.gz FBBNRIIZZCMVMV-GFCCVEGCSA-N -1 0 335.363 3.816 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])nc1)c1ccc2c(c1)CCCC2 ZINC001599840332 988816144 /nfs/dbraw/zinc/81/61/44/988816144.db2.gz NNPHASRMNNVNQC-GFCCVEGCSA-N -1 0 339.395 3.541 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)c1cc(Cl)ccc1F ZINC001599840714 988821940 /nfs/dbraw/zinc/82/19/40/988821940.db2.gz NTJMRYOKBMMAKJ-MRVPVSSYSA-N -1 0 339.725 3.807 20 0 EHADRM CCc1ncc(C(=O)Oc2cc3ccccc3cc2C(=O)[O-])s1 ZINC001597697089 988902881 /nfs/dbraw/zinc/90/28/81/988902881.db2.gz GOPXPWBPRFUFIP-UHFFFAOYSA-N -1 0 327.361 3.776 20 0 EHADRM C[C@@H](OC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1cccc(OC(F)F)c1 ZINC001599846152 988935042 /nfs/dbraw/zinc/93/50/42/988935042.db2.gz CNFBYTNNUOYGMF-RTXFEEFZSA-N -1 0 342.338 3.783 20 0 EHADRM CCc1ncsc1C(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001597710413 988965478 /nfs/dbraw/zinc/96/54/78/988965478.db2.gz IPAGAEUHSQEOMK-UHFFFAOYSA-N -1 0 332.406 3.871 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2)C[C@H]1CC(=O)[O-] ZINC001599864217 989217125 /nfs/dbraw/zinc/21/71/25/989217125.db2.gz TYTRJMVZNUAATP-HUUCEWRRSA-N -1 0 339.391 3.662 20 0 EHADRM CC(C)(C)OC(=O)N1Cc2ccc(N[C@@H]3CC[C@@H](C(=O)[O-])C3)cc2C1 ZINC001590105366 989256045 /nfs/dbraw/zinc/25/60/45/989256045.db2.gz GOBRGYUMHMSEPK-IUODEOHRSA-N -1 0 346.427 3.603 20 0 EHADRM CCc1oc(CNc2ccc(C[C@@H](C)C(=O)OC)cc2)cc1C(=O)[O-] ZINC001597804745 989408493 /nfs/dbraw/zinc/40/84/93/989408493.db2.gz LMBLFVILNHSUJU-GFCCVEGCSA-N -1 0 345.395 3.504 20 0 EHADRM CCc1sc(=O)n(Cc2cc(C(=O)[O-])cs2)c1-c1ccccc1 ZINC001597817898 989449525 /nfs/dbraw/zinc/44/95/25/989449525.db2.gz CXSRVHULPDKSFL-UHFFFAOYSA-N -1 0 345.445 3.947 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cc2cccc(Cl)c2s1 ZINC001599878520 989451393 /nfs/dbraw/zinc/45/13/93/989451393.db2.gz VJGDZFLIKZATNA-MWLCHTKSSA-N -1 0 337.828 3.880 20 0 EHADRM CCc1sc(C(=O)Oc2cc(/C=C\C(=O)[O-])ccc2OC)cc1C ZINC001597821483 989464982 /nfs/dbraw/zinc/46/49/82/989464982.db2.gz ZDMCIDYIEWHNPU-VURMDHGXSA-N -1 0 346.404 3.945 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001599883679 989519799 /nfs/dbraw/zinc/51/97/99/989519799.db2.gz GHJWDXPFRWMAQT-USBNGQNGSA-N -1 0 342.222 3.563 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN1Cc1nc(-c2c(F)cccc2F)cs1 ZINC001599884471 989532536 /nfs/dbraw/zinc/53/25/36/989532536.db2.gz AFUYYRUWCYBJDW-INIZCTEOSA-N -1 0 338.379 3.527 20 0 EHADRM CC(C)(C)OC(=O)NCCS[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001590200799 989563012 /nfs/dbraw/zinc/56/30/12/989563012.db2.gz JWJUQLMLJZGITN-GFCCVEGCSA-N -1 0 345.848 3.724 20 0 EHADRM O=C(C[C@@H]1CCCCCN1C(=O)c1c([O-])cccc1F)c1ccco1 ZINC000274858383 1015496591 /nfs/dbraw/zinc/49/65/91/1015496591.db2.gz VICIQPFDCAXMLS-ZDUSSCGKSA-N -1 0 345.370 3.782 20 0 EHADRM CCn1cc(C(=O)N2CCc3c2cccc3C(=O)[O-])c2ccccc21 ZINC001597874215 989681754 /nfs/dbraw/zinc/68/17/54/989681754.db2.gz ITTXNQHTCAELFQ-UHFFFAOYSA-N -1 0 334.375 3.562 20 0 EHADRM CCn1cc([C@H](C)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)cn1 ZINC001597882853 989715581 /nfs/dbraw/zinc/71/55/81/989715581.db2.gz WHKCBOJYDLBHEC-LKFCYVNXSA-N -1 0 342.226 3.686 20 0 EHADRM CC(C)(C)OC[C@@H]1CCCN1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001590389240 989914073 /nfs/dbraw/zinc/91/40/73/989914073.db2.gz PQTMOMSDANWZMX-INIZCTEOSA-N -1 0 348.443 3.515 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)NCc2cc(C(=O)[O-])co2)c1 ZINC001590398596 989930298 /nfs/dbraw/zinc/93/02/98/989930298.db2.gz IWNKQDSPZKGKLJ-UHFFFAOYSA-N -1 0 346.383 3.615 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001590416787 989956928 /nfs/dbraw/zinc/95/69/28/989956928.db2.gz QNIIJGCSSUEPTE-UHFFFAOYSA-N -1 0 331.343 3.954 20 0 EHADRM CC(C)(C)Sc1ccc(-c2noc([C@H]3CC[C@@H](C(=O)[O-])C3)n2)nc1 ZINC001590434750 989992415 /nfs/dbraw/zinc/99/24/15/989992415.db2.gz IDZGJBYMLJJVEV-WDEREUQCSA-N -1 0 347.440 3.991 20 0 EHADRM CC(C)(C)c1cc(C(=O)N2CCC[C@@H]2C(=O)[O-])cc(C(C)(C)C)c1O ZINC001590453796 990018853 /nfs/dbraw/zinc/01/88/53/990018853.db2.gz BYWIKNICNFDULX-OAHLLOKOSA-N -1 0 347.455 3.676 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)[C@@H]2CCCSC2)s1 ZINC001590460984 990025299 /nfs/dbraw/zinc/02/52/99/990025299.db2.gz IZRANWCFVOBWGN-SECBINFHSA-N -1 0 327.471 3.826 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)c2cncc3[nH]ccc32)s1 ZINC001590463970 990040077 /nfs/dbraw/zinc/04/00/77/990040077.db2.gz SFVBSRVQFBVELH-UHFFFAOYSA-N -1 0 343.408 3.872 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2CCC(CC(=O)[O-])CC2)cc1Cl ZINC001590472219 990043463 /nfs/dbraw/zinc/04/34/63/990043463.db2.gz MHLGBWRFCYMVIB-UHFFFAOYSA-N -1 0 337.847 3.964 20 0 EHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)Nc2ccns2)cc1 ZINC001590480467 990066082 /nfs/dbraw/zinc/06/60/82/990066082.db2.gz QRYIYFYSYHDSEZ-CYBMUJFWSA-N -1 0 347.440 3.778 20 0 EHADRM CN(C(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1)C1CCCCCCC1 ZINC001597991166 990090343 /nfs/dbraw/zinc/09/03/43/990090343.db2.gz CKOCUVXKJATWPA-PXNSSMCTSA-N -1 0 329.440 3.816 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)CNc2ccc(C(=O)[O-])cc2)cc1 ZINC001590492576 990091456 /nfs/dbraw/zinc/09/14/56/990091456.db2.gz DJJXXDCLXATFSD-UHFFFAOYSA-N -1 0 326.396 3.733 20 0 EHADRM CC(C)(C)c1cccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC001590498697 990109164 /nfs/dbraw/zinc/10/91/64/990109164.db2.gz FYTLFZZHWQMBGL-INIZCTEOSA-N -1 0 329.371 3.679 20 0 EHADRM CN(C(=O)[C@H]1CC1(C)C)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001597997828 990116009 /nfs/dbraw/zinc/11/60/09/990116009.db2.gz SDTFZMGLVKHDNE-SKDRFNHKSA-N -1 0 330.211 3.624 20 0 EHADRM CN(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1c(Cl)cccc1Cl ZINC001598004162 990148144 /nfs/dbraw/zinc/14/81/44/990148144.db2.gz NSTYVQCJIKXANX-NXEZZACHSA-N -1 0 330.211 3.847 20 0 EHADRM CN(C(=O)CC1(CC(=O)[O-])CCCC1)c1ccc(F)c(Cl)c1 ZINC001598007242 990164719 /nfs/dbraw/zinc/16/47/19/990164719.db2.gz GUZLYYDURLEJSS-UHFFFAOYSA-N -1 0 327.783 3.867 20 0 EHADRM CC(C)(C)c1nc(NC(=O)CC(C2CC2)C2CC2)sc1C(=O)[O-] ZINC001590545164 990179474 /nfs/dbraw/zinc/17/94/74/990179474.db2.gz SQMGOPOWKUHIPB-UHFFFAOYSA-N -1 0 336.457 3.904 20 0 EHADRM CC(C)(C)c1nc(NC(=O)[C@H]2Cc3ccc(F)cc32)sc1C(=O)[O-] ZINC001590545561 990183837 /nfs/dbraw/zinc/18/38/37/990183837.db2.gz YDBBLJRYZZPQJI-NSHDSACASA-N -1 0 348.399 3.556 20 0 EHADRM CC(C)(C)c1nc(NC(=O)c2ccoc2Cl)sc1C(=O)[O-] ZINC001590545785 990184645 /nfs/dbraw/zinc/18/46/45/990184645.db2.gz OKVXQLQDWGYEEY-UHFFFAOYSA-N -1 0 328.777 3.638 20 0 EHADRM CN(C(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1F ZINC001598018055 990198076 /nfs/dbraw/zinc/19/80/76/990198076.db2.gz VGWRTFCLFHUQBM-UHFFFAOYSA-N -1 0 335.762 3.773 20 0 EHADRM CC(C)(C)n1cnnc1SCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001590603390 990267673 /nfs/dbraw/zinc/26/76/73/990267673.db2.gz XXAPXAJQAJPPKS-UHFFFAOYSA-N -1 0 325.821 3.677 20 0 EHADRM CC(C)(/C=C\Cl)NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001590615455 990290122 /nfs/dbraw/zinc/29/01/22/990290122.db2.gz VEKZUXCWMFXLLI-OEYXZAGESA-N -1 0 338.835 3.669 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001590628868 990320076 /nfs/dbraw/zinc/32/00/76/990320076.db2.gz XLWKWWDYYYTJAY-UKRRQHHQSA-N -1 0 337.847 3.983 20 0 EHADRM CN(C(=O)Nc1ccc(C(=O)[O-])s1)[C@@H]1CCCc2ccccc21 ZINC001598057501 990325944 /nfs/dbraw/zinc/32/59/44/990325944.db2.gz ZWLNGDDPCAYEKM-CYBMUJFWSA-N -1 0 330.409 3.988 20 0 EHADRM CN(C(=O)Nc1ccc2c(c1)Cc1ccccc1-2)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598060647 990329707 /nfs/dbraw/zinc/32/97/07/990329707.db2.gz RXAZALVECWRHMZ-FZNQNYSPSA-N -1 0 336.391 3.585 20 0 EHADRM CN(C(=O)Nc1ccsc1C(=O)[O-])[C@H]1CCCc2ccccc21 ZINC001598061313 990333015 /nfs/dbraw/zinc/33/30/15/990333015.db2.gz DZVZTSCHVIKRRT-AWEZNQCLSA-N -1 0 330.409 3.988 20 0 EHADRM CC(C)(CCC(=O)N(CC(=O)[O-])c1ccccc1)c1ccccc1 ZINC001590656645 990355711 /nfs/dbraw/zinc/35/57/11/990355711.db2.gz ZANCGEHCASVOPB-UHFFFAOYSA-N -1 0 325.408 3.862 20 0 EHADRM CN(C(=O)OC1CCCCC1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598067184 990356943 /nfs/dbraw/zinc/35/69/43/990356943.db2.gz RYFANNACVZKGEM-CQSZACIVSA-N -1 0 345.317 3.631 20 0 EHADRM CN(C(=O)c1cc(C(F)F)ccc1F)C1(C(=O)[O-])CCCCC1 ZINC001598077611 990383671 /nfs/dbraw/zinc/38/36/71/990383671.db2.gz NPLSAUHEKLUMMO-UHFFFAOYSA-N -1 0 329.318 3.623 20 0 EHADRM CN(C(=O)c1ccc(C(F)F)c(F)c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598083150 990407694 /nfs/dbraw/zinc/40/76/94/990407694.db2.gz QPFJHUZALGQHDU-CQSZACIVSA-N -1 0 337.297 3.661 20 0 EHADRM CN(C(=O)c1ccc(OCC(=O)[O-])cc1)C1CC(C)(C)CC(C)(C)C1 ZINC001598088093 990422551 /nfs/dbraw/zinc/42/25/51/990422551.db2.gz YNEBTMHMVDHPSN-UHFFFAOYSA-N -1 0 347.455 3.827 20 0 EHADRM CC(C)(CNC(=O)[C@@H](OCC1CCCC1)c1ccccc1)CC(=O)[O-] ZINC001590706204 990448943 /nfs/dbraw/zinc/44/89/43/990448943.db2.gz IFIYADHDLRAQED-SFHVURJKSA-N -1 0 347.455 3.552 20 0 EHADRM CN(C(=O)c1ccsc1C(F)(F)F)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598096556 990452230 /nfs/dbraw/zinc/45/22/30/990452230.db2.gz VRSMHVKFFZDNST-LLVKDONJSA-N -1 0 343.326 3.665 20 0 EHADRM CN(C(=O)c1scnc1C1CCCC1)C1(C(=O)[O-])CCCCC1 ZINC001598103198 990469478 /nfs/dbraw/zinc/46/94/78/990469478.db2.gz ARYDRHCQKKGVLA-UHFFFAOYSA-N -1 0 336.457 3.660 20 0 EHADRM CC(C)(CNC(=O)c1cccc(C(=O)[O-])c1)c1cccc(Cl)c1F ZINC001590750387 990550193 /nfs/dbraw/zinc/55/01/93/990550193.db2.gz KRDFARHSHLNCNZ-UHFFFAOYSA-N -1 0 349.789 3.885 20 0 EHADRM CN(C)C(=O)Sc1ccc(CSCC(C)(C)C(=O)[O-])cc1 ZINC001598145374 990616682 /nfs/dbraw/zinc/61/66/82/990616682.db2.gz OIZNNMWZKJVPPR-UHFFFAOYSA-N -1 0 327.471 3.804 20 0 EHADRM CC(C)(NCc1cc(Cl)cc(Cl)c1F)c1cc(C(=O)[O-])on1 ZINC001590870361 990771492 /nfs/dbraw/zinc/77/14/92/990771492.db2.gz CNNQWVLZFQANOQ-UHFFFAOYSA-N -1 0 347.173 3.844 20 0 EHADRM CC(C)(NCc1ccc(F)c2ccccc12)c1cc(C(=O)[O-])on1 ZINC001590872624 990780745 /nfs/dbraw/zinc/78/07/45/990780745.db2.gz KGUILPHLQVRAFL-UHFFFAOYSA-N -1 0 328.343 3.690 20 0 EHADRM CC(C)C(C)(C)C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC001590960361 991050367 /nfs/dbraw/zinc/05/03/67/991050367.db2.gz BWUILPOCDRAOLO-SFHVURJKSA-N -1 0 341.451 3.882 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)NC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001590967804 991085928 /nfs/dbraw/zinc/08/59/28/991085928.db2.gz IMKKMANJACTBOX-NRFANRHFSA-N -1 0 339.435 3.701 20 0 EHADRM CC(C)[C@H](CC(F)(F)F)NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001590976457 991125007 /nfs/dbraw/zinc/12/50/07/991125007.db2.gz QSTBFIPMKVNYDU-NSHDSACASA-N -1 0 336.285 3.622 20 0 EHADRM CC(C)[C@H](CC(F)(F)F)NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001590976604 991126325 /nfs/dbraw/zinc/12/63/25/991126325.db2.gz UGTPIBSNMYALNX-ZDUSSCGKSA-N -1 0 346.349 3.802 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1cncc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001590988803 991189872 /nfs/dbraw/zinc/18/98/72/991189872.db2.gz CNBNYGZTISGQIU-MRXNPFEDSA-N -1 0 346.814 3.603 20 0 EHADRM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001590993951 991216839 /nfs/dbraw/zinc/21/68/39/991216839.db2.gz UZKRPOWALPNSSW-OZSKJFCKSA-N -1 0 345.370 3.514 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@H]1C1CCCC1 ZINC001598295468 991225930 /nfs/dbraw/zinc/22/59/30/991225930.db2.gz WRTWYJRERIABMX-INIZCTEOSA-N -1 0 345.443 3.637 20 0 EHADRM COc1ccccc1C1(c2noc([C@H]3CC[C@H](C(=O)[O-])CC3)n2)CC1 ZINC001599704268 991268516 /nfs/dbraw/zinc/26/85/16/991268516.db2.gz OUCZWUWYJGEBAI-JOCQHMNTSA-N -1 0 342.395 3.517 20 0 EHADRM COc1ccccc1C1(NC(=O)Nc2cc(C(=O)[O-])sc2C)CC1 ZINC001599704706 991274526 /nfs/dbraw/zinc/27/45/26/991274526.db2.gz UWTMHSCFOGHZIQ-UHFFFAOYSA-N -1 0 346.408 3.574 20 0 EHADRM CC(C)[C@H](NC(=O)NC1CC(CC(=O)[O-])C1)c1ccccc1Cl ZINC001591008434 991277216 /nfs/dbraw/zinc/27/72/16/991277216.db2.gz YNSZPLCUNMUMQR-PPUFBPAQSA-N -1 0 338.835 3.590 20 0 EHADRM CN(C)c1ccc(C(=O)Nc2cccc3cc(C(=O)[O-])sc32)cc1 ZINC001598313072 991286850 /nfs/dbraw/zinc/28/68/50/991286850.db2.gz BHJAIVHZQMBQBC-UHFFFAOYSA-N -1 0 340.404 3.918 20 0 EHADRM CC(C)[C@@H](NC(=O)Nc1ccc(CC(=O)[O-])c(F)c1)c1ccccc1 ZINC001591014781 991294133 /nfs/dbraw/zinc/29/41/33/991294133.db2.gz RJZXEFSBEOGYBB-GOSISDBHSA-N -1 0 344.386 3.972 20 0 EHADRM CC(C)[C@@H](NC(=O)c1ccccc1CCC(=O)[O-])c1ccc(F)cc1 ZINC001591019704 991306716 /nfs/dbraw/zinc/30/67/16/991306716.db2.gz STIIIFUTBRBJIW-LJQANCHMSA-N -1 0 343.398 3.970 20 0 EHADRM CN(C)c1cccc(C(=O)Nc2c(C(=O)[O-])ccc3ccccc32)c1 ZINC001598335192 991385621 /nfs/dbraw/zinc/38/56/21/991385621.db2.gz CIXUBTHZIRCELO-UHFFFAOYSA-N -1 0 334.375 3.856 20 0 EHADRM CC(C)[C@H](OC(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccccn1 ZINC001591047081 991441021 /nfs/dbraw/zinc/44/10/21/991441021.db2.gz LMZPZDQLRKDPSE-HNNXBMFYSA-N -1 0 333.771 3.987 20 0 EHADRM CC(C)[C@@H](SCc1ccccc1C(=O)[O-])C(=O)NC1CCCC1 ZINC001591052113 991456544 /nfs/dbraw/zinc/45/65/44/991456544.db2.gz MFRPOGDNVDYPNU-MRXNPFEDSA-N -1 0 335.469 3.701 20 0 EHADRM CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001591057273 991464503 /nfs/dbraw/zinc/46/45/03/991464503.db2.gz CHSFNIFGFGFHOI-HNNXBMFYSA-N -1 0 334.803 3.836 20 0 EHADRM COc1ccccc1Oc1ccc(N[C@@H](C(=O)[O-])C2CC2)cc1F ZINC001599717964 991488761 /nfs/dbraw/zinc/48/87/61/991488761.db2.gz ZTGXOHODETVZNQ-QGZVFWFLSA-N -1 0 331.343 3.902 20 0 EHADRM COc1ccccc1[C@H](C)OC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001599719490 991512523 /nfs/dbraw/zinc/51/25/23/991512523.db2.gz RGKOQIDRPYFFIE-GQWAEJPESA-N -1 0 340.375 3.558 20 0 EHADRM CC(C)[C@@H]1C[C@H](C(=O)Nc2cccc3cc(C(=O)[O-])sc32)CCO1 ZINC001591071610 991530457 /nfs/dbraw/zinc/53/04/57/991530457.db2.gz DXBRAFUASLCTSD-OCCSQVGLSA-N -1 0 347.436 3.989 20 0 EHADRM CC(C)[C@H]1CCC[C@H](NC(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC001591082674 991600785 /nfs/dbraw/zinc/60/07/85/991600785.db2.gz WDWDEZHVQSEQIM-RDJZCZTQSA-N -1 0 332.444 3.789 20 0 EHADRM CC(C)[C@H]1CCCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC001591087067 991607350 /nfs/dbraw/zinc/60/73/50/991607350.db2.gz JLVZYQNNJKTJFB-JTQLQIEISA-N -1 0 326.343 3.563 20 0 EHADRM CC(C)C[C@@H](C(=O)N[C@](C)(C(=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC001591118703 991786119 /nfs/dbraw/zinc/78/61/19/991786119.db2.gz XYCVCPKEZHSLGM-QAPCUYQASA-N -1 0 337.847 3.839 20 0 EHADRM COc1nsc(CNc2cc(C)c(Cl)c(C)c2)c1C(=O)[O-] ZINC001599741092 991857784 /nfs/dbraw/zinc/85/77/84/991857784.db2.gz CUACMXFQUOKRBT-UHFFFAOYSA-N -1 0 326.805 3.732 20 0 EHADRM CC(C)C[C@@H](C)OCCC(=O)N1CCCc2ccc(C(=O)[O-])cc21 ZINC001591138789 991861425 /nfs/dbraw/zinc/86/14/25/991861425.db2.gz UNGBZYOXRVPCIW-CQSZACIVSA-N -1 0 333.428 3.505 20 0 EHADRM CC(C)CC(CC(C)C)C(=O)N[C@@](C)(CC(=O)[O-])c1ccccn1 ZINC001591142483 991865308 /nfs/dbraw/zinc/86/53/08/991865308.db2.gz DEMJZSCOTNGTLY-IBGZPJMESA-N -1 0 334.460 3.596 20 0 EHADRM CC(C)C[C@H](CNC(=O)CCc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001591149188 991888627 /nfs/dbraw/zinc/88/86/27/991888627.db2.gz HADZPAAPTNGKOS-MRXNPFEDSA-N -1 0 333.472 3.780 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1csc(-c2ccccc2)n1)C(=O)[O-] ZINC001591150497 991892410 /nfs/dbraw/zinc/89/24/10/991892410.db2.gz CXEUZIGXWXIIQF-CYBMUJFWSA-N -1 0 347.440 3.679 20 0 EHADRM CN(CC1CCCCC1)C(=O)CSCc1ccccc1C(=O)[O-] ZINC001598454585 991923720 /nfs/dbraw/zinc/92/37/20/991923720.db2.gz DOKOQSHXCBCFIB-UHFFFAOYSA-N -1 0 335.469 3.657 20 0 EHADRM CC(C)C[C@@H]1CCCN(C(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)C1 ZINC001591207433 992040898 /nfs/dbraw/zinc/04/08/98/992040898.db2.gz LMHZAYGDKKKHKS-XAUMDUMWSA-N -1 0 329.440 3.530 20 0 EHADRM CN(CCCC(=O)[O-])c1nc(-c2cccs2)nc2ccccc21 ZINC001598474899 992069217 /nfs/dbraw/zinc/06/92/17/992069217.db2.gz XSWSQMBTSFGFFI-UHFFFAOYSA-N -1 0 327.409 3.659 20 0 EHADRM CC(C)CC[C@@H](C)NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001591217007 992071722 /nfs/dbraw/zinc/07/17/22/992071722.db2.gz CEPJBSPVWPHKRM-ZBFHGGJFSA-N -1 0 334.460 3.962 20 0 EHADRM CC(C)CCCC(=O)N(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001591227996 992101387 /nfs/dbraw/zinc/10/13/87/992101387.db2.gz MQNBPQFNAPDQLO-OAHLLOKOSA-N -1 0 331.334 3.514 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)NC[C@@H](CC2CC2)C(=O)[O-])cc1 ZINC001591260199 992166335 /nfs/dbraw/zinc/16/63/35/992166335.db2.gz HCPFTTSHCIZZCN-OAHLLOKOSA-N -1 0 348.443 3.734 20 0 EHADRM CC(C)CN(C(=O)c1cc(C2CC2)cnc1Cl)C(C)(C)C(=O)[O-] ZINC001591285620 992225705 /nfs/dbraw/zinc/22/57/05/992225705.db2.gz ZAQQZJQYSFLQPN-UHFFFAOYSA-N -1 0 338.835 3.574 20 0 EHADRM CC(C)CN(CC(C)C)C(=O)CSCc1cccc(C(=O)[O-])c1 ZINC001591320624 992287365 /nfs/dbraw/zinc/28/73/65/992287365.db2.gz SIXWSLWPRVLVGU-UHFFFAOYSA-N -1 0 337.485 3.759 20 0 EHADRM CC(C)CN(CCc1ccccc1)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001591343225 992323674 /nfs/dbraw/zinc/32/36/74/992323674.db2.gz SXFKPMCGBFRCEP-IYARVYRRSA-N -1 0 331.456 3.605 20 0 EHADRM CSC(C)(C)CNC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001599781988 992376632 /nfs/dbraw/zinc/37/66/32/992376632.db2.gz CBAVGTZIQVWQOU-UHFFFAOYSA-N -1 0 332.425 3.801 20 0 EHADRM CN(CCOc1cccc(Cl)c1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001598499733 992418158 /nfs/dbraw/zinc/41/81/58/992418158.db2.gz VKQMSECYNIJILM-UHFFFAOYSA-N -1 0 348.786 3.581 20 0 EHADRM CN(CCOc1ccccc1)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC001598499943 992421368 /nfs/dbraw/zinc/42/13/68/992421368.db2.gz TXGHQUFMFNSXHZ-UHFFFAOYSA-N -1 0 348.786 3.581 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cccc(C(C)(C)C)c1 ZINC001598512105 992574965 /nfs/dbraw/zinc/57/49/65/992574965.db2.gz LANUTUQAFDLSMQ-UHFFFAOYSA-N -1 0 325.408 3.955 20 0 EHADRM CC(C)Cc1ccc(C[S@@](=O)[C@H](C)c2nc(C(=O)[O-])co2)cc1 ZINC001591483288 992601071 /nfs/dbraw/zinc/60/10/71/992601071.db2.gz FAZFHMDBJQHRRT-SFDCACGMSA-N -1 0 335.425 3.581 20 0 EHADRM CC(C)Cc1ccc(CCCC(=O)N(C)C(C)(C)CC(=O)[O-])cc1 ZINC001591483582 992603998 /nfs/dbraw/zinc/60/39/98/992603998.db2.gz KJMOVFBJWPHUDU-UHFFFAOYSA-N -1 0 333.472 3.920 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)N(C[C@H](C)C(=O)[O-])C2CC2)cc1 ZINC001591484148 992607983 /nfs/dbraw/zinc/60/79/83/992607983.db2.gz SNNVMEZORPECJR-HNNXBMFYSA-N -1 0 331.456 3.529 20 0 EHADRM CN(Cc1nc(C2CCCCC2)cs1)Cc1ccc(C(=O)[O-])cn1 ZINC001598515066 992608181 /nfs/dbraw/zinc/60/81/81/992608181.db2.gz DEOREQQKRSNXBM-UHFFFAOYSA-N -1 0 345.468 3.916 20 0 EHADRM CC(C)Cc1ccccc1C(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1 ZINC001591488648 992616799 /nfs/dbraw/zinc/61/67/99/992616799.db2.gz HZJSKWNYJAXPEZ-UHFFFAOYSA-N -1 0 337.379 3.712 20 0 EHADRM CN(Cc1ccc(Cl)c(F)c1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001598518076 992642495 /nfs/dbraw/zinc/64/24/95/992642495.db2.gz PANIONPQOJLENB-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM CC(C)Cn1cc(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)c2ccccc21 ZINC001591520315 992687530 /nfs/dbraw/zinc/68/75/30/992687530.db2.gz PAHHBKPGWNWWSQ-CABCVRRESA-N -1 0 342.439 3.671 20 0 EHADRM CN(Cc1ccc2ccccc2c1)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001598524443 992701140 /nfs/dbraw/zinc/70/11/40/992701140.db2.gz HKKMIEMHHBOHBV-UHFFFAOYSA-N -1 0 335.363 3.597 20 0 EHADRM CC(C)Cn1ncc(N[C@H](C)c2ncc(C(=O)[O-])s2)c1C(C)C ZINC001591534063 992714443 /nfs/dbraw/zinc/71/44/43/992714443.db2.gz UUTCTXYUYRXHCL-LLVKDONJSA-N -1 0 336.461 3.990 20 0 EHADRM CN(Cc1ccccc1)c1ccccc1NC(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001598530003 992767793 /nfs/dbraw/zinc/76/77/93/992767793.db2.gz UGUZDYLOAATVTB-UHFFFAOYSA-N -1 0 349.390 3.602 20 0 EHADRM CN(Cc1cccnc1)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001598531028 992780679 /nfs/dbraw/zinc/78/06/79/992780679.db2.gz OURCMBYGEXGOEJ-UHFFFAOYSA-N -1 0 335.363 3.597 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1noc2c1CCCC2 ZINC000154678102 1015754210 /nfs/dbraw/zinc/75/42/10/1015754210.db2.gz QPGFFBXQIIQPMX-UHFFFAOYSA-N -1 0 327.167 3.818 20 0 EHADRM COc1ccc(NC(=O)c2cc(C3CC3)cnc2Cl)c(C(=O)[O-])c1 ZINC001599594217 993728342 /nfs/dbraw/zinc/72/83/42/993728342.db2.gz WIWCNJZZBOKALQ-UHFFFAOYSA-N -1 0 346.770 3.572 20 0 EHADRM COc1ccc(OC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c(C(C)(C)C)c1 ZINC001599599908 993800389 /nfs/dbraw/zinc/80/03/89/993800389.db2.gz VYXWADWYXCREGJ-JOCQHMNTSA-N -1 0 334.412 3.789 20 0 EHADRM C[C@H](NC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1)c1ccsc1 ZINC001593116161 993806064 /nfs/dbraw/zinc/80/60/64/993806064.db2.gz XJGGMUHDIYSETE-VIFPVBQESA-N -1 0 329.381 3.810 20 0 EHADRM C[C@H](NC(=O)c1cccc(-c2ccoc2)c1)c1ncc(C(=O)[O-])s1 ZINC001593173913 994040959 /nfs/dbraw/zinc/04/09/59/994040959.db2.gz YVVLNEKNRNNCGB-JTQLQIEISA-N -1 0 342.376 3.592 20 0 EHADRM C[C@@H](NC(=O)c1ccccc1C(F)F)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593178591 994057071 /nfs/dbraw/zinc/05/70/71/994057071.db2.gz CVIUBJXJGFKDGX-MLGOLLRUSA-N -1 0 347.361 3.686 20 0 EHADRM C[C@H](NC(=S)NC1(CC(=O)[O-])CC1)c1ccc(Cl)cc1Cl ZINC001593190046 994117485 /nfs/dbraw/zinc/11/74/85/994117485.db2.gz KSFRCIYDZJUKOH-QMMMGPOBSA-N -1 0 347.267 3.526 20 0 EHADRM COc1ccc2c(c1)[C@@H](C(=O)O[C@@H](C)c1cc(C(=O)[O-])co1)CCC2 ZINC001599624161 994124275 /nfs/dbraw/zinc/12/42/75/994124275.db2.gz ALKQKSNHMRWASX-NHYWBVRUSA-N -1 0 344.363 3.711 20 0 EHADRM C[C@@H](N[C@H](C)c1ccc2c(c1)CCCO2)c1ncc(C(=O)[O-])s1 ZINC001593204557 994204714 /nfs/dbraw/zinc/20/47/14/994204714.db2.gz UCUQUHPSGLZJNK-GHMZBOCLSA-N -1 0 332.425 3.578 20 0 EHADRM COc1ccc2cc(NC(=O)Cc3cccc(C(=O)[O-])c3)ccc2c1 ZINC001599634574 994267684 /nfs/dbraw/zinc/26/76/84/994267684.db2.gz ROHRXCXGSUASGT-UHFFFAOYSA-N -1 0 335.359 3.728 20 0 EHADRM COc1ccc2nc(CNc3cccc(CC(=O)[O-])c3)sc2c1 ZINC001599634644 994268910 /nfs/dbraw/zinc/26/89/10/994268910.db2.gz CWOVGJPMUUSOSK-UHFFFAOYSA-N -1 0 328.393 3.544 20 0 EHADRM COc1ccc2cc(C(=O)Nc3sccc3C(=O)[O-])sc2c1 ZINC001599635040 994274843 /nfs/dbraw/zinc/27/48/43/994274843.db2.gz JVZWDPVHBCOSNC-UHFFFAOYSA-N -1 0 333.390 3.922 20 0 EHADRM COc1cccc(S(=O)(=O)[N-]C(=O)CCCC2CCCC2)c1 ZINC000076906358 1015856761 /nfs/dbraw/zinc/85/67/61/1015856761.db2.gz PPLXOUZUTUWERG-UHFFFAOYSA-N -1 0 325.430 3.701 20 0 EHADRM COc1cccc(C(=O)[O-])c1CSc1nncc2ccccc21 ZINC001599644087 994399504 /nfs/dbraw/zinc/39/95/04/994399504.db2.gz DVXUFSOCNBPEAV-UHFFFAOYSA-N -1 0 326.377 3.629 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)[C@@H](C)c1ccc(Cl)cc1 ZINC001599645242 994416886 /nfs/dbraw/zinc/41/68/86/994416886.db2.gz ICAXFUKYWFPQMB-NSHDSACASA-N -1 0 347.798 3.813 20 0 EHADRM COc1cccc([C@H](C(=O)[O-])N(C)C(=O)/C=C/C2CCCCCC2)c1 ZINC001599646910 994437737 /nfs/dbraw/zinc/43/77/37/994437737.db2.gz BOKRNANXBXBKPZ-JXOMPUQVSA-N -1 0 345.439 3.806 20 0 EHADRM COc1cccc([C@H](C(=O)[O-])N(C)C(=O)/C=C\C2CCCCCC2)c1 ZINC001599646911 994437869 /nfs/dbraw/zinc/43/78/69/994437869.db2.gz BOKRNANXBXBKPZ-SYGIOELKSA-N -1 0 345.439 3.806 20 0 EHADRM COc1cccc([C@@H](C(=O)[O-])N(C)Cc2sccc2Cl)c1 ZINC001599651197 994502826 /nfs/dbraw/zinc/50/28/26/994502826.db2.gz USAHOGFJVPWBDN-AWEZNQCLSA-N -1 0 325.817 3.668 20 0 EHADRM COc1cccc([C@H](C(=O)[O-])N2CC[C@@H]2c2ccc(Cl)cc2)c1 ZINC001599651257 994505337 /nfs/dbraw/zinc/50/53/37/994505337.db2.gz SQBQXXIXQQGHTK-IAGOWNOFSA-N -1 0 331.799 3.921 20 0 EHADRM COc1cccc(/C(C)=C/C(=O)OCc2cc(C(=O)[O-])ccc2C)c1 ZINC001599654096 994551095 /nfs/dbraw/zinc/55/10/95/994551095.db2.gz FXFSIXYORLGPHC-NTEUORMPSA-N -1 0 340.375 3.849 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)O[C@@H](C(=O)[O-])c2ccsc2)c1 ZINC001599655027 994564530 /nfs/dbraw/zinc/56/45/30/994564530.db2.gz HVHNPJKYGXENFM-MEDUHNTESA-N -1 0 334.393 3.619 20 0 EHADRM CNC(=S)Nc1cc(-c2ccccc2Cl)sc1C(=O)[O-] ZINC001598661288 994601022 /nfs/dbraw/zinc/60/10/22/994601022.db2.gz AOJRDWVUVYYXTR-UHFFFAOYSA-N -1 0 326.830 3.683 20 0 EHADRM C[C@H](NCc1cc(C(=O)[O-])ccc1F)c1nc(C2CCCCC2)no1 ZINC001593289622 994666678 /nfs/dbraw/zinc/66/66/78/994666678.db2.gz VWPCLVNAPGQAPD-NSHDSACASA-N -1 0 347.390 3.805 20 0 EHADRM COc1cccc(/C=C/c2nc(Cl)c(C(=O)[O-])s2)c1OC ZINC001599663861 994698313 /nfs/dbraw/zinc/69/83/13/994698313.db2.gz HBQCXBQTEJWHKE-VOTSOKGWSA-N -1 0 325.773 3.682 20 0 EHADRM C[C@H](NCc1nc2cc(C(=O)[O-])ccc2[nH]1)c1ccc(Cl)c(F)c1 ZINC001593311084 994777029 /nfs/dbraw/zinc/77/70/29/994777029.db2.gz BQBFLYXLAPIZDK-VIFPVBQESA-N -1 0 347.777 3.904 20 0 EHADRM CNc1ccc(Cl)c(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC001598679367 994901808 /nfs/dbraw/zinc/90/18/08/994901808.db2.gz FPPFYFTUWZENBB-MEDUHNTESA-N -1 0 346.814 3.574 20 0 EHADRM C[C@H](Nc1ccc(N2CCOC[C@@H]2C)cc1)c1cc(C(=O)[O-])cs1 ZINC001593363484 995036112 /nfs/dbraw/zinc/03/61/12/995036112.db2.gz QXFPZCACMMZCBD-STQMWFEESA-N -1 0 346.452 3.845 20 0 EHADRM COC(=O)[C@H](CC(C)(C)C)Sc1nc2ccc(C(=O)[O-])cc2o1 ZINC001598696335 995144307 /nfs/dbraw/zinc/14/43/07/995144307.db2.gz BAIKLIIEPDFMRP-LBPRGKRZSA-N -1 0 337.397 3.596 20 0 EHADRM C[C@@H](OC(=O)[C@H](C)c1cn(C)c2ccccc12)c1ccc(C(=O)[O-])o1 ZINC001593484978 995445731 /nfs/dbraw/zinc/44/57/31/995445731.db2.gz NMDRQXVSYGOKRK-VXGBXAGGSA-N -1 0 341.363 3.877 20 0 EHADRM C[C@H](OC(=O)CCc1ccccc1C(=O)[O-])c1cc(F)cc(F)c1 ZINC001593528038 995574518 /nfs/dbraw/zinc/57/45/18/995574518.db2.gz PXBAKOIWXWBIHL-NSHDSACASA-N -1 0 334.318 3.900 20 0 EHADRM C[C@@H](OC(=O)CCc1cccc2ccccc21)c1nc(C(=O)[O-])co1 ZINC001593528541 995577661 /nfs/dbraw/zinc/57/76/61/995577661.db2.gz XZIZCGPGMZJTNR-GFCCVEGCSA-N -1 0 339.347 3.763 20 0 EHADRM C[C@H](OC(=O)Cc1cc2cc(Cl)ccc2[nH]1)c1cc(C(=O)[O-])co1 ZINC001593534506 995588991 /nfs/dbraw/zinc/58/89/91/995588991.db2.gz APYXZWHWUYVYRA-VIFPVBQESA-N -1 0 347.754 3.959 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)C2CCCC2)c(C)c1C ZINC000079154277 1015958000 /nfs/dbraw/zinc/95/80/00/1015958000.db2.gz NUIACFJLPRTHBL-CYBMUJFWSA-N -1 0 339.457 3.784 20 0 EHADRM C[C@H](OC(=O)Cc1csc(C(C)(C)C)n1)c1cc(C(=O)[O-])co1 ZINC001593537508 995604405 /nfs/dbraw/zinc/60/44/05/995604405.db2.gz TWBWYPPBHRDNTQ-VIFPVBQESA-N -1 0 337.397 3.579 20 0 EHADRM C[C@@H](OC(=O)c1cc(C2CC2)cnc1Cl)c1ccc(C(=O)[O-])o1 ZINC001593556359 995642088 /nfs/dbraw/zinc/64/20/88/995642088.db2.gz IGDOCZAXDXWHEK-MRVPVSSYSA-N -1 0 335.743 3.822 20 0 EHADRM C[C@@H](NC(=O)c1c(F)ccc(O)c1F)c1ccc(OC(F)F)cc1 ZINC000538020363 1015966432 /nfs/dbraw/zinc/96/64/32/1015966432.db2.gz DFQANLPGANEWAT-MRVPVSSYSA-N -1 0 343.276 3.763 20 0 EHADRM C[C@H](OC(=O)c1ccc2c(c1)CCCCC2=O)c1ccc(C(=O)[O-])o1 ZINC001593585580 995702436 /nfs/dbraw/zinc/70/24/36/995702436.db2.gz JIUWSUVMBJGABN-NSHDSACASA-N -1 0 342.347 3.805 20 0 EHADRM C[C@@H](OC(=O)c1cnc(CC(C)(C)C)s1)c1cc(C(=O)[O-])co1 ZINC001593596552 995731660 /nfs/dbraw/zinc/73/16/60/995731660.db2.gz DEYLMUVIUREQJJ-SECBINFHSA-N -1 0 337.397 3.941 20 0 EHADRM C[C@@H](OCCCNC(=O)CC1(CC(=O)[O-])CCCC1)c1ccccc1 ZINC001593609019 995801582 /nfs/dbraw/zinc/80/15/82/995801582.db2.gz ZWYNAZJGSSCDMH-MRXNPFEDSA-N -1 0 347.455 3.696 20 0 EHADRM C[C@@H](Oc1ccc(CN2CCCCC[C@@H]2C(F)(F)F)cc1)C(=O)[O-] ZINC001593615682 995837301 /nfs/dbraw/zinc/83/73/01/995837301.db2.gz OTDYNOJKPWAQMT-IUODEOHRSA-N -1 0 345.361 3.845 20 0 EHADRM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC001593620624 995870488 /nfs/dbraw/zinc/87/04/88/995870488.db2.gz KTQHJXLRSQXKMB-WDEREUQCSA-N -1 0 349.333 3.559 20 0 EHADRM C[C@@H](Oc1ccc(NC(=O)c2csc(Cl)c2)cc1F)C(=O)[O-] ZINC001593634218 995925311 /nfs/dbraw/zinc/92/53/11/995925311.db2.gz NTCJVHJJYDHUCJ-SSDOTTSWSA-N -1 0 343.763 3.645 20 0 EHADRM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N[C@H](CC(C)(C)C)C(=O)[O-] ZINC001593634972 995929773 /nfs/dbraw/zinc/92/97/73/995929773.db2.gz IQPZMRPUABETAR-CZUORRHYSA-N -1 0 349.471 3.757 20 0 EHADRM C[C@@H](OC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccc(C(=O)[O-])o1 ZINC001593639338 995940931 /nfs/dbraw/zinc/94/09/31/995940931.db2.gz IOUFFLOQGZKQFE-ZJUUUORDSA-N -1 0 338.743 3.703 20 0 EHADRM C[C@@H](Oc1ccccc1)C(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-] ZINC001593640822 995947653 /nfs/dbraw/zinc/94/76/53/995947653.db2.gz RGDGGNOSHMQODV-SECBINFHSA-N -1 0 337.734 3.583 20 0 EHADRM C[C@@H](Oc1ccccc1CN(C)Cc1ccc(Cl)s1)C(=O)[O-] ZINC001593645651 995976531 /nfs/dbraw/zinc/97/65/31/995976531.db2.gz SRLMFNFTIRGNRY-LLVKDONJSA-N -1 0 339.844 3.885 20 0 EHADRM C[C@@H](Oc1cccnc1NCc1c[nH]c(C(=O)[O-])c1)c1ccccc1 ZINC001593656364 996024642 /nfs/dbraw/zinc/02/46/42/996024642.db2.gz YUKUOMNNJZNXRR-CYBMUJFWSA-N -1 0 337.379 3.860 20 0 EHADRM C[C@@](CC(=O)NC12CC3CC(CC(C3)C1)C2)(C(=O)[O-])c1ccccc1 ZINC000327285942 1015996638 /nfs/dbraw/zinc/99/66/38/1015996638.db2.gz KZFWTAKCNNNYIC-CQLMTFPYSA-N -1 0 341.451 3.504 20 0 EHADRM C[C@@H](Sc1ccc(C(=O)[O-])cc1)C(=O)Nc1cccnc1Cl ZINC001593663856 996046478 /nfs/dbraw/zinc/04/64/78/996046478.db2.gz ADAJOUIYAJQEQX-SECBINFHSA-N -1 0 336.800 3.553 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N1CCCc2ccccc21)C(=O)[O-] ZINC001593668523 996064647 /nfs/dbraw/zinc/06/46/47/996064647.db2.gz SWWCNPGJCQZLJA-CYBMUJFWSA-N -1 0 341.432 3.845 20 0 EHADRM CC(C)c1nc2ccccc2c(S[C@@H](C)C(=O)C(C)(C)C(=O)[O-])n1 ZINC001593680342 996108199 /nfs/dbraw/zinc/10/81/99/996108199.db2.gz WUNRBGSODVHBKB-NSHDSACASA-N -1 0 346.452 3.914 20 0 EHADRM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)c1cc(C(=O)[O-])ncn1 ZINC001593692856 996140458 /nfs/dbraw/zinc/14/04/58/996140458.db2.gz FZAPNFTYVYMNRC-MRVPVSSYSA-N -1 0 326.183 3.679 20 0 EHADRM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001593694123 996147905 /nfs/dbraw/zinc/14/79/05/996147905.db2.gz QICYJQZGHLLVGG-RJZRQDKASA-N -1 0 337.847 3.791 20 0 EHADRM C[C@@H](c1ccc2c(c1)CCC2)[S@](=O)CCc1ccccc1C(=O)[O-] ZINC001593698675 996166527 /nfs/dbraw/zinc/16/65/27/996166527.db2.gz HRQTXKJPDXQNGX-LFPIHBKWSA-N -1 0 342.460 3.926 20 0 EHADRM C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001593705709 996192373 /nfs/dbraw/zinc/19/23/73/996192373.db2.gz KJQWSRSHCXZXJX-OWLYRPNTSA-N -1 0 329.440 3.672 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000683302562 1016015432 /nfs/dbraw/zinc/01/54/32/1016015432.db2.gz DSKUMLCQSIEWAC-SJORKVTESA-N -1 0 331.456 3.795 20 0 EHADRM C[C@H](c1ccccc1F)[C@@H](OC(=O)c1csc(C2CC2)n1)C(=O)[O-] ZINC001593718024 996238151 /nfs/dbraw/zinc/23/81/51/996238151.db2.gz XHTOULHCOGHGSV-YMTOWFKASA-N -1 0 349.383 3.573 20 0 EHADRM C[C@@H](c1ccccc1F)[C@H](OC(=O)c1csc(C2CC2)n1)C(=O)[O-] ZINC001593718023 996238210 /nfs/dbraw/zinc/23/82/10/996238210.db2.gz XHTOULHCOGHGSV-XPTSAGLGSA-N -1 0 349.383 3.573 20 0 EHADRM C[C@H](c1ccco1)N(C)C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001593719470 996244021 /nfs/dbraw/zinc/24/40/21/996244021.db2.gz MSBYLOJIZHKAPZ-MRVPVSSYSA-N -1 0 340.738 3.995 20 0 EHADRM C[C@@H](c1nc(C(=O)[O-])co1)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC001593725011 996272373 /nfs/dbraw/zinc/27/23/73/996272373.db2.gz LAHQPUXEYDERAA-CMPLNLGQSA-N -1 0 336.338 3.592 20 0 EHADRM C[C@@H](c1nc(C(=O)[O-])co1)[S@@](=O)Cc1ccc(Cl)cc1Cl ZINC001593729045 996290511 /nfs/dbraw/zinc/29/05/11/996290511.db2.gz IIRNVQHXLCUKFN-SGWXMTNESA-N -1 0 348.207 3.690 20 0 EHADRM C[C@@]1(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)CCc2ccccc21 ZINC001593758702 996413402 /nfs/dbraw/zinc/41/34/02/996413402.db2.gz SKJCBFNSVLSIKI-HXUWFJFHSA-N -1 0 334.375 3.709 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C2(Sc3ccccc3)CCCC2)C1 ZINC001593765236 996440516 /nfs/dbraw/zinc/44/05/16/996440516.db2.gz PNILZNFZXWLMQZ-SFHVURJKSA-N -1 0 347.480 3.805 20 0 EHADRM CC1(C)C[C@@H](C(=O)Oc2ccccc2CC(=O)[O-])c2ccccc2O1 ZINC001593848019 996617339 /nfs/dbraw/zinc/61/73/39/996617339.db2.gz DYOIFFFIPRJKTD-OAHLLOKOSA-N -1 0 340.375 3.564 20 0 EHADRM C[C@@](CNC(=O)C1CC(C)(C)CC(C)(C)C1)(C(=O)[O-])c1ccccc1 ZINC001593848229 996618898 /nfs/dbraw/zinc/61/88/98/996618898.db2.gz MIKXIOZHNNXZCM-NRFANRHFSA-N -1 0 345.483 3.998 20 0 EHADRM COC(=O)CCc1cccc(NCc2cc(C(=O)[O-])c(C(C)C)[nH]2)c1 ZINC001598859445 996662295 /nfs/dbraw/zinc/66/22/95/996662295.db2.gz ZKPLGAYAZYZCLK-UHFFFAOYSA-N -1 0 344.411 3.554 20 0 EHADRM CC1(C)CC[C@@H](CC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)OC1 ZINC001593876626 996697940 /nfs/dbraw/zinc/69/79/40/996697940.db2.gz OVLDPNVAIMRRCO-VIFPVBQESA-N -1 0 343.782 3.711 20 0 EHADRM O=C([O-])CN(C(=O)c1cccc(-c2ccoc2)c1)C1CCCCC1 ZINC000683310021 1016060270 /nfs/dbraw/zinc/06/02/70/1016060270.db2.gz XSJHLNDXTWPTNK-UHFFFAOYSA-N -1 0 327.380 3.806 20 0 EHADRM CC1(C)CCC[C@](NC(=O)c2ncc(Cl)cc2Cl)(C(=O)[O-])C1 ZINC001593895267 996748737 /nfs/dbraw/zinc/74/87/37/996748737.db2.gz JMWCKPUEJZUXTE-OAHLLOKOSA-N -1 0 345.226 3.542 20 0 EHADRM CC1(C)CCC[C@H]1C(=O)OCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001593898950 996762287 /nfs/dbraw/zinc/76/22/87/996762287.db2.gz XVMMPAKLCLNNGS-HNNXBMFYSA-N -1 0 343.379 3.909 20 0 EHADRM CC1(C)CCCC[C@@H]1CC(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC001593905746 996789555 /nfs/dbraw/zinc/78/95/55/996789555.db2.gz ZFWLGDAORDICAX-OAHLLOKOSA-N -1 0 329.440 3.876 20 0 EHADRM CC1(C)CCCN1C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001593910363 996791464 /nfs/dbraw/zinc/79/14/64/996791464.db2.gz MXCAAXYLGSBCIG-GFCCVEGCSA-N -1 0 344.333 3.572 20 0 EHADRM CC1(C)CCN(C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)CCS1 ZINC001593911828 996807399 /nfs/dbraw/zinc/80/73/99/996807399.db2.gz OITDJENWGOPYOU-UHFFFAOYSA-N -1 0 347.440 3.616 20 0 EHADRM CC1(C)CCc2cccc(NCc3ccc(OCC(=O)[O-])cc3)c2O1 ZINC001593915727 996813358 /nfs/dbraw/zinc/81/33/58/996813358.db2.gz DODHQSYWCSUOIO-UHFFFAOYSA-N -1 0 341.407 3.866 20 0 EHADRM COc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc3ccccc32)cc1 ZINC001599485170 996835526 /nfs/dbraw/zinc/83/55/26/996835526.db2.gz BFYZGFYFKBGOLI-LJQANCHMSA-N -1 0 349.386 3.794 20 0 EHADRM COc1ccc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)cc1C ZINC001599487201 996871336 /nfs/dbraw/zinc/87/13/36/996871336.db2.gz MSQOKBYENQBHOK-UHFFFAOYSA-N -1 0 345.420 3.574 20 0 EHADRM COc1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)[O-])c(C)c1OC ZINC001599488162 996890021 /nfs/dbraw/zinc/89/00/21/996890021.db2.gz KGKLIZXRDJMPHE-UHFFFAOYSA-N -1 0 349.408 3.641 20 0 EHADRM CC1(C)CN(C(=O)c2cc(F)cc(C(=O)[O-])c2)CCc2ccccc21 ZINC001593936858 996923637 /nfs/dbraw/zinc/92/36/37/996923637.db2.gz ZBNBRDCAOJZMDE-UHFFFAOYSA-N -1 0 341.382 3.500 20 0 EHADRM COc1cc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2Cl)ccc1C ZINC001599386513 996956502 /nfs/dbraw/zinc/95/65/02/996956502.db2.gz VIFUIHZVXIPFSJ-OAHLLOKOSA-N -1 0 334.755 3.640 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(F)c2occc21 ZINC001599386660 996958645 /nfs/dbraw/zinc/95/86/45/996958645.db2.gz MYRMRIUACSGYMX-UHFFFAOYSA-N -1 0 329.283 3.531 20 0 EHADRM CC1(C)CN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC(C)(C)O1 ZINC001593941186 996959853 /nfs/dbraw/zinc/95/98/53/996959853.db2.gz ZAEAXZJQUFBULN-ZDUSSCGKSA-N -1 0 345.361 3.721 20 0 EHADRM COCc1cc(NC(=O)N2CCCC[C@@H]2CC(C)C)cc(C(=O)[O-])c1 ZINC001599285493 996969479 /nfs/dbraw/zinc/96/94/79/996969479.db2.gz PBUKSGQAVFTPAS-QGZVFWFLSA-N -1 0 348.443 3.964 20 0 EHADRM COc1cc(C)c([C@@H](C)OC(=O)/C=C\c2cc(C(=O)[O-])co2)cc1C ZINC001599390802 997031774 /nfs/dbraw/zinc/03/17/74/997031774.db2.gz POMYMBRSADDRCO-CFHLNLSMSA-N -1 0 344.363 3.921 20 0 EHADRM COc1cc(C)cc(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)c1C ZINC001599392125 997057054 /nfs/dbraw/zinc/05/70/54/997057054.db2.gz NOQXOSHPJRVMCO-UHFFFAOYSA-N -1 0 333.771 3.916 20 0 EHADRM COCc1ccc(-c2noc(C34CCC(C(=O)[O-])(CC3)CC4)n2)cc1 ZINC001599290974 997063598 /nfs/dbraw/zinc/06/35/98/997063598.db2.gz LNBPDOGBPPUGAD-UHFFFAOYSA-N -1 0 342.395 3.560 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1c(C)cccc1Cl ZINC001599396465 997135313 /nfs/dbraw/zinc/13/53/13/997135313.db2.gz OLGIQWNCGGSGPS-VQHVLOKHSA-N -1 0 346.766 3.974 20 0 EHADRM COC1(CCNc2cccc(C(=O)[O-])c2Br)CCC1 ZINC001599089177 997158188 /nfs/dbraw/zinc/15/81/88/997158188.db2.gz QWHANACYKBBNCL-UHFFFAOYSA-N -1 0 328.206 3.518 20 0 EHADRM COCc1ccsc1C(=O)Oc1cc2ccccc2cc1C(=O)[O-] ZINC001599297265 997167576 /nfs/dbraw/zinc/16/75/76/997167576.db2.gz LCGWBKNDPIMXBF-UHFFFAOYSA-N -1 0 342.372 3.965 20 0 EHADRM COC1(CNC(=O)Nc2ccc(C(=O)[O-])cc2C)CCCCCC1 ZINC001599090350 997180332 /nfs/dbraw/zinc/18/03/32/997180332.db2.gz VGGSDNQECZMZKH-UHFFFAOYSA-N -1 0 334.416 3.554 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OCc1cnc(Cl)c(F)c1 ZINC001599400245 997202159 /nfs/dbraw/zinc/20/21/59/997202159.db2.gz OMFNQLNRRPFQEK-HYXAFXHYSA-N -1 0 337.734 3.560 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1ccc(C2CC2)cc1 ZINC001599401705 997225901 /nfs/dbraw/zinc/22/59/01/997225901.db2.gz ZIDQMDKDOCLQCW-QDEBKDIKSA-N -1 0 338.359 3.890 20 0 EHADRM CC1(C)[C@@H](c2ccccc2)[C@@H]1NC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001593987618 997233369 /nfs/dbraw/zinc/23/33/69/997233369.db2.gz FFVVIDIMQLBESX-ROUUACIJSA-N -1 0 338.407 3.627 20 0 EHADRM CC1(/C=C/C(=O)Nc2cccc3cc(C(=O)[O-])sc32)CCOCC1 ZINC001593996051 997299937 /nfs/dbraw/zinc/29/99/37/997299937.db2.gz FVKIDCDBLGIZBE-AATRIKPKSA-N -1 0 345.420 3.911 20 0 EHADRM CC1(/C=C\C(=O)Nc2cccc3cc(C(=O)[O-])sc32)CCOCC1 ZINC001593996052 997300701 /nfs/dbraw/zinc/30/07/01/997300701.db2.gz FVKIDCDBLGIZBE-WAYWQWQTSA-N -1 0 345.420 3.911 20 0 EHADRM C[C@@]1(CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)CC1(Cl)Cl ZINC001593998531 997328875 /nfs/dbraw/zinc/32/88/75/997328875.db2.gz RZIQMISDPYCQDM-CYBMUJFWSA-N -1 0 348.251 3.848 20 0 EHADRM COC[C@H]1CCCCN1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001599203567 997361704 /nfs/dbraw/zinc/36/17/04/997361704.db2.gz SSTBNZOEICNFIS-CYBMUJFWSA-N -1 0 348.424 3.632 20 0 EHADRM C[C@]1(CCNC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CC1(F)F ZINC001594007662 997430002 /nfs/dbraw/zinc/43/00/02/997430002.db2.gz LXGCNIDGGOHQSD-ZDUSSCGKSA-N -1 0 332.734 3.595 20 0 EHADRM CON(C[C@@H]1CCC[C@H](C)C1)C(=O)CCc1ccccc1C(=O)[O-] ZINC001599317352 997524071 /nfs/dbraw/zinc/52/40/71/997524071.db2.gz JXMPHUJEZLCRHN-LSDHHAIUSA-N -1 0 333.428 3.534 20 0 EHADRM CON(Cc1ccccc1Cl)C(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001599318074 997534027 /nfs/dbraw/zinc/53/40/27/997534027.db2.gz GXZFJQNVFXZEBT-UHFFFAOYSA-N -1 0 333.771 3.550 20 0 EHADRM COc1cc(CNc2cccc(CC(=O)[O-])c2)cc(C(F)(F)F)c1 ZINC001599418408 997551689 /nfs/dbraw/zinc/55/16/89/997551689.db2.gz HMQHRZNZCHRVCH-UHFFFAOYSA-N -1 0 339.313 3.953 20 0 EHADRM CO[C@@H]1CCC[C@H](CC(=O)OCc2cccc(C(=O)[O-])c2Cl)C1 ZINC001599111798 997582560 /nfs/dbraw/zinc/58/25/60/997582560.db2.gz GCGMIDRFSOATPU-WCQYABFASA-N -1 0 340.803 3.677 20 0 EHADRM COCCC1(CNC(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CC1 ZINC001599219187 997635898 /nfs/dbraw/zinc/63/58/98/997635898.db2.gz WWQOKYUEYKUTQX-UHFFFAOYSA-N -1 0 348.424 3.538 20 0 EHADRM CO[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001599325439 997654884 /nfs/dbraw/zinc/65/48/84/997654884.db2.gz ZWEPSRAHRYCERB-IRXDYDNUSA-N -1 0 342.395 3.617 20 0 EHADRM C[C@]1(Cc2noc(-c3ccc(/C=C\C(=O)[O-])o3)n2)CC1(Cl)Cl ZINC001594043439 997678234 /nfs/dbraw/zinc/67/82/34/997678234.db2.gz LTRBMTJGQCKPAP-DXTPNHAXSA-N -1 0 343.166 3.554 20 0 EHADRM C[C@]1(Cc2cccs2)CCCN1C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001594044005 997683986 /nfs/dbraw/zinc/68/39/86/997683986.db2.gz URMIZNJAFGANPT-LJQANCHMSA-N -1 0 343.448 3.613 20 0 EHADRM COc1ccc(C)cc1-c1csc(NC(=O)C[C@@H](C)CC(=O)[O-])n1 ZINC001599533929 997708672 /nfs/dbraw/zinc/70/86/72/997708672.db2.gz KXZRGLKRVSZTMA-LLVKDONJSA-N -1 0 348.424 3.567 20 0 EHADRM COC(=O)c1cc(CN(c2ccccc2C)C(C)C)cc(C(=O)[O-])c1 ZINC001598929451 997717734 /nfs/dbraw/zinc/71/77/34/997717734.db2.gz LODHBKFCQPGMFE-UHFFFAOYSA-N -1 0 341.407 3.895 20 0 EHADRM COC(=O)c1cc(CN(c2ccc(C)cc2)C(C)C)cc(C(=O)[O-])c1 ZINC001598929582 997721744 /nfs/dbraw/zinc/72/17/44/997721744.db2.gz QANSQJWGBOEUCJ-UHFFFAOYSA-N -1 0 341.407 3.895 20 0 EHADRM COc1ccc(C)cc1CSCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001599534789 997723002 /nfs/dbraw/zinc/72/30/02/997723002.db2.gz SGJWKGSQBAHTPG-UHFFFAOYSA-N -1 0 345.420 3.574 20 0 EHADRM CC1(NC(=O)N[C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)CCCC1 ZINC001594052350 997756078 /nfs/dbraw/zinc/75/60/78/997756078.db2.gz JKFRRPCKUMYAMX-GFCCVEGCSA-N -1 0 344.333 3.620 20 0 EHADRM C[C@]1(NC(=O)[C@@H]2CCC[C@H]2Cc2ccccc2)CCCC[C@H]1C(=O)[O-] ZINC001594053036 997765950 /nfs/dbraw/zinc/76/59/50/997765950.db2.gz RXMQURSUVJLPBR-NYUBLWNDSA-N -1 0 343.467 3.795 20 0 EHADRM COc1cc(NC(=O)/C=C\c2ccc3ccccc3n2)ccc1C(=O)[O-] ZINC001599432297 997780611 /nfs/dbraw/zinc/78/06/11/997780611.db2.gz UUNAMYIFQGIZQM-LUAWRHEFSA-N -1 0 348.358 3.594 20 0 EHADRM COc1ccc([C@H]2CCCN2C(=O)NCCCCCCC(=O)[O-])cc1 ZINC001599538272 997785375 /nfs/dbraw/zinc/78/53/75/997785375.db2.gz DUZKROBYIXEXMV-QGZVFWFLSA-N -1 0 348.443 3.577 20 0 EHADRM C[C@]1(NC(=O)c2ccnc3cc(Cl)ccc32)CCCC[C@H]1C(=O)[O-] ZINC001594055712 997790065 /nfs/dbraw/zinc/79/00/65/997790065.db2.gz IMVCTUXWFLBMFH-KSSFIOAISA-N -1 0 346.814 3.652 20 0 EHADRM COc1c(C)cnc(CN(C)[C@H](C(=O)[O-])c2cccc(Cl)c2)c1C ZINC001599333673 997793452 /nfs/dbraw/zinc/79/34/52/997793452.db2.gz GTDPSOJVFOFMJA-INIZCTEOSA-N -1 0 348.830 3.618 20 0 EHADRM COc1cc(NC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)c(C(=O)[O-])cc1OC ZINC001599433201 997796935 /nfs/dbraw/zinc/79/69/35/997796935.db2.gz JILYAKLDABYQMO-LRDDRELGSA-N -1 0 347.411 3.579 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)c1cc2[nH]ccc2s1 ZINC001599541550 997851590 /nfs/dbraw/zinc/85/15/90/997851590.db2.gz DATCSEVHTKQNMY-HYXAFXHYSA-N -1 0 343.360 3.555 20 0 EHADRM COc1cc(NC(=O)NCC2(C(=O)[O-])CCCC2)cc2ccccc21 ZINC001599437784 997877491 /nfs/dbraw/zinc/87/74/91/997877491.db2.gz LSFHXHHDLNRRAY-UHFFFAOYSA-N -1 0 342.395 3.615 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OCc1cc(C)nc(Cl)c1 ZINC001599547050 997940584 /nfs/dbraw/zinc/94/05/84/997940584.db2.gz RMCHDMCBHMEHND-XQRVVYSFSA-N -1 0 333.771 3.729 20 0 EHADRM COc1c(NC(=O)N[C@@H]2CCC(C)(C)C[C@H]2C)cccc1C(=O)[O-] ZINC001599342465 997944629 /nfs/dbraw/zinc/94/46/29/997944629.db2.gz XKQBMMQTPFMRGM-DGCLKSJQSA-N -1 0 334.416 3.730 20 0 EHADRM COc1cc(NC(=O)c2ccc(C(=O)[O-])[nH]2)c(C2CC2)cc1Cl ZINC001599442191 997947294 /nfs/dbraw/zinc/94/72/94/997947294.db2.gz JVPURNFFUCLRCT-UHFFFAOYSA-N -1 0 334.759 3.505 20 0 EHADRM COc1cc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)cc2ccccc21 ZINC001599442144 997947780 /nfs/dbraw/zinc/94/77/80/997947780.db2.gz GOUCLZNHHLCCEX-UHFFFAOYSA-N -1 0 339.322 3.938 20 0 EHADRM COc1c(NC(=O)c2cc3c(ccc(C)c3C)[nH]2)cccc1C(=O)[O-] ZINC001599342733 997948545 /nfs/dbraw/zinc/94/85/45/997948545.db2.gz OTCSEXLBDBYYGM-UHFFFAOYSA-N -1 0 338.363 3.744 20 0 EHADRM COc1cc(NC(=O)c2cc3c(ccc(C)c3C)[nH]2)ccc1C(=O)[O-] ZINC001599442707 997955920 /nfs/dbraw/zinc/95/59/20/997955920.db2.gz XPNZMLPZEYPXCX-UHFFFAOYSA-N -1 0 338.363 3.744 20 0 EHADRM COc1c(NC(=O)c2cc3ccc(Cl)cc3[nH]2)cccc1C(=O)[O-] ZINC001599343225 997956589 /nfs/dbraw/zinc/95/65/89/997956589.db2.gz WSWHPGSIDHHLIU-UHFFFAOYSA-N -1 0 344.754 3.780 20 0 EHADRM COCCN(CCOc1ccc(C(=O)[O-])cc1Cl)c1ccccc1 ZINC001599237261 997968126 /nfs/dbraw/zinc/96/81/26/997968126.db2.gz RXUCXFABBOGBKK-UHFFFAOYSA-N -1 0 349.814 3.570 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001594079517 997968941 /nfs/dbraw/zinc/96/89/41/997968941.db2.gz GHRIAEBXMQEQFG-IBGZPJMESA-N -1 0 327.355 3.675 20 0 EHADRM COc1c(Nc2ccc(OC3CCCCC3)cc2)ncnc1C(=O)[O-] ZINC001599344195 997973378 /nfs/dbraw/zinc/97/33/78/997973378.db2.gz FFEOWMXVUWJCNE-UHFFFAOYSA-N -1 0 343.383 3.639 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN(C(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC001594079904 997976441 /nfs/dbraw/zinc/97/64/41/997976441.db2.gz YVLIDHPBRJMROP-OAQYLSRUSA-N -1 0 337.419 3.969 20 0 EHADRM COc1cc(NCc2cccc(OC(C)(C)C)n2)ccc1C(=O)[O-] ZINC001599444147 997979481 /nfs/dbraw/zinc/97/94/81/997979481.db2.gz YFOFHYORATUETI-UHFFFAOYSA-N -1 0 330.384 3.578 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CN1CCC(C)=C(Br)C1 ZINC001594090033 998034720 /nfs/dbraw/zinc/03/47/20/998034720.db2.gz DBKFBJSZKZGGIH-UHFFFAOYSA-N -1 0 330.247 3.629 20 0 EHADRM COc1ccc(C[C@@H](C)c2nc(-c3ccc(C(=O)[O-])cc3)no2)cc1 ZINC001599552801 998038823 /nfs/dbraw/zinc/03/88/23/998038823.db2.gz NQBASBKONRXARZ-GFCCVEGCSA-N -1 0 338.363 3.790 20 0 EHADRM COc1cc(OC(=O)c2ccccc2OCC(C)C)ccc1C(=O)[O-] ZINC001599448372 998048341 /nfs/dbraw/zinc/04/83/41/998048341.db2.gz VVJHAGGRVKXISZ-UHFFFAOYSA-N -1 0 344.363 3.647 20 0 EHADRM COc1cc(OC(=O)c2cc(-c3ccccc3)ccn2)ccc1C(=O)[O-] ZINC001599448420 998048539 /nfs/dbraw/zinc/04/85/39/998048539.db2.gz XZMVHCAYVRQLJY-UHFFFAOYSA-N -1 0 349.342 3.675 20 0 EHADRM COc1cc(OC)c(OC)cc1N[C@H](C)c1cc(C(=O)[O-])cs1 ZINC001599449662 998070266 /nfs/dbraw/zinc/07/02/66/998070266.db2.gz JDLVFTIRBMYBFW-SECBINFHSA-N -1 0 337.397 3.645 20 0 EHADRM CC1=C(C(=O)[O-])C[C@H](CN2C[C@H](c3ccccc3)c3ccccc32)O1 ZINC001594099913 998102236 /nfs/dbraw/zinc/10/22/36/998102236.db2.gz JNCUSSICDGKUDR-VQIMIIECSA-N -1 0 335.403 3.786 20 0 EHADRM COc1cc(OC)cc([C@H](C)OC(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC001599454809 998169835 /nfs/dbraw/zinc/16/98/35/998169835.db2.gz DEXHEHYUJKNRAX-LBPRGKRZSA-N -1 0 344.363 3.628 20 0 EHADRM CC1=C(C)C[C@H](C(=O)N[C@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC001594110038 998203419 /nfs/dbraw/zinc/20/34/19/998203419.db2.gz OUNWBLRPOAIFJW-KBAYOESNSA-N -1 0 329.440 3.571 20 0 EHADRM CC1=CC[C@@](C)(C(=O)N2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)CC1 ZINC001594113976 998233441 /nfs/dbraw/zinc/23/34/41/998233441.db2.gz WRZBVGTXDLVVME-FZKQIMNGSA-N -1 0 348.468 3.684 20 0 EHADRM COC(=O)c1cc2cccc(NCc3cc(C(=O)[O-])c(C)o3)c2s1 ZINC001598956233 998246337 /nfs/dbraw/zinc/24/63/37/998246337.db2.gz CFIDXPSISOXTNN-UHFFFAOYSA-N -1 0 345.376 3.900 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)Cc1cccc(Cl)c1 ZINC001599369552 998387942 /nfs/dbraw/zinc/38/79/42/998387942.db2.gz AMYVFCCEMRKDDC-NSHDSACASA-N -1 0 347.798 3.864 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@]1(C)CCCc2ccccc21 ZINC001599370237 998398609 /nfs/dbraw/zinc/39/86/09/998398609.db2.gz HIWTUNCGYUTATA-FQEVSTJZSA-N -1 0 339.391 3.626 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N[C@H](C)c1ccc(C)s1 ZINC001599372999 998440552 /nfs/dbraw/zinc/44/05/52/998440552.db2.gz UBXDVFZYQHVLDZ-SNVBAGLBSA-N -1 0 334.397 3.646 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H](C)c1ccccc1Cl ZINC001599373870 998456452 /nfs/dbraw/zinc/45/64/52/998456452.db2.gz IWNXTIYJZVGDCW-JTQLQIEISA-N -1 0 348.786 3.930 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NCc1ccc2nc(C)sc2c1 ZINC001599375440 998478117 /nfs/dbraw/zinc/47/81/17/998478117.db2.gz XMZZBLKQWBPJLY-UHFFFAOYSA-N -1 0 328.393 3.924 20 0 EHADRM COc1ccc(-n2ccnc2S[C@H](CC(C)(C)C)C(=O)[O-])cc1 ZINC001599474033 998496997 /nfs/dbraw/zinc/49/69/97/998496997.db2.gz FFCCBJUBDVQNAD-CQSZACIVSA-N -1 0 334.441 3.862 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)C1(c2ccc(F)cc2)CCC1 ZINC001599378497 998528535 /nfs/dbraw/zinc/52/85/35/998528535.db2.gz XSTRUVQNLVJRIL-UHFFFAOYSA-N -1 0 344.338 3.560 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC001594157425 998576247 /nfs/dbraw/zinc/57/62/47/998576247.db2.gz TVCUTENLYUXLJZ-LDYMZIIASA-N -1 0 348.346 3.625 20 0 EHADRM C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001594172568 998662528 /nfs/dbraw/zinc/66/25/28/998662528.db2.gz FOIBBYMSXMMVHT-KWQFWETISA-N -1 0 348.296 3.719 20 0 EHADRM C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1Nc1ccccc1OC[C@@H]1CCCCO1 ZINC001594184088 998713027 /nfs/dbraw/zinc/71/30/27/998713027.db2.gz FBRILRILOQNIJB-QZWWFDLISA-N -1 0 347.455 3.936 20 0 EHADRM C[C@H]1CC(=O)N(C)c2ccc(N[C@H](C(=O)[O-])c3ccccc3F)cc21 ZINC001594198165 998766864 /nfs/dbraw/zinc/76/68/64/998766864.db2.gz BKCAXXMKGWNUNP-VOJFVSQTSA-N -1 0 342.370 3.534 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1C(=O)c1ccc(-c2ccco2)s1 ZINC001594206955 998795864 /nfs/dbraw/zinc/79/58/64/998795864.db2.gz ULFSXKUIKCEVPW-ZSBIGDGJSA-N -1 0 333.409 3.722 20 0 EHADRM CC(C)[C@H]1CCc2[n-]n(-c3cc(C(F)(F)F)ccn3)c(=O)c2C1 ZINC000634608902 1016248296 /nfs/dbraw/zinc/24/82/96/1016248296.db2.gz PRMKFZMYJAXJGK-JQWIXIFHSA-N -1 0 325.334 3.875 20 0 EHADRM COC(=O)c1ccccc1CSCc1ccc(C(=O)[O-])c(F)c1 ZINC001599002986 998834275 /nfs/dbraw/zinc/83/42/75/998834275.db2.gz MYEQXAHMGYEXHG-UHFFFAOYSA-N -1 0 334.368 3.744 20 0 EHADRM C[C@@H]1C[C@@H](CNC(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)[C@@H](C)O1 ZINC001594239657 998915731 /nfs/dbraw/zinc/91/57/31/998915731.db2.gz YBTBUGMOODVUAU-FOGDFJRCSA-N -1 0 348.424 3.535 20 0 EHADRM C[C@H]1C[C@H](CNc2cccc(C(=O)[O-])c2)CCN1C(=O)OC(C)(C)C ZINC001594242991 998923652 /nfs/dbraw/zinc/92/36/52/998923652.db2.gz JRQUWSDJVZHAKT-UONOGXRCSA-N -1 0 348.443 3.832 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000129301782 1016270943 /nfs/dbraw/zinc/27/09/43/1016270943.db2.gz QLNXHDSGVKLTRY-LBPRGKRZSA-N -1 0 340.354 3.692 20 0 EHADRM CO[C@@H](C(=O)[O-])c1ccccc1OCCOc1ccc(SC)cc1 ZINC001599026330 999018462 /nfs/dbraw/zinc/01/84/62/999018462.db2.gz KLTQGLKGSQCDCP-QGZVFWFLSA-N -1 0 348.420 3.638 20 0 EHADRM C[C@H]1C[C@@H](c2cccnc2)N(C(=O)NCCCCCCCC(=O)[O-])C1 ZINC001594270111 999043881 /nfs/dbraw/zinc/04/38/81/999043881.db2.gz QIJNUTFIYKASGT-RDJZCZTQSA-N -1 0 347.459 3.599 20 0 EHADRM C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)Nc2cccc(F)c2C(=O)[O-])C1 ZINC001594271290 999049667 /nfs/dbraw/zinc/04/96/67/999049667.db2.gz IEBZFTVVAPJJKL-ABAIWWIYSA-N -1 0 343.358 3.534 20 0 EHADRM C[C@@H]1CC/C(=C\C(=O)Oc2cc(Br)cc(C(=O)[O-])c2)C1 ZINC001594292814 999129412 /nfs/dbraw/zinc/12/94/12/999129412.db2.gz UJEKCXOQEDFDDD-RAJVOEEQSA-N -1 0 339.185 3.799 20 0 EHADRM C[C@@H]1CC[C@](C)(/C=C/C(=O)Nc2cccc(CC(=O)[O-])n2)C1(C)C ZINC001594295650 999138133 /nfs/dbraw/zinc/13/81/33/999138133.db2.gz FXVJFQNDQUAOBL-ZALZUOCKSA-N -1 0 330.428 3.666 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001594297288 999146489 /nfs/dbraw/zinc/14/64/89/999146489.db2.gz VDGIEDQSDDDXIO-ZTFGCOKTSA-N -1 0 346.471 3.892 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001594299341 999155643 /nfs/dbraw/zinc/15/56/43/999155643.db2.gz YCJBMTQVCJJBJO-IIAWOOMASA-N -1 0 347.459 3.539 20 0 EHADRM C[C@@H]1CC[C@H](CC(=O)N[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1 ZINC001594303212 999173369 /nfs/dbraw/zinc/17/33/69/999173369.db2.gz WNBHFGREKLYVIE-ZETOZRRWSA-N -1 0 343.345 3.774 20 0 EHADRM C[C@H]1CCC[C@@H](NC(=O)NCCc2cc3ccc(C(=O)[O-])cc3o2)C1 ZINC001594352280 999333611 /nfs/dbraw/zinc/33/36/11/999333611.db2.gz CGLHNAJKLLDBSK-SWLSCSKDSA-N -1 0 344.411 3.551 20 0 EHADRM C[C@H](NC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1)[C@H]1CCC[C@@H](C)C1 ZINC001594355156 999340827 /nfs/dbraw/zinc/34/08/27/999340827.db2.gz ISTHSWONMBHRFH-WDKDSRHDSA-N -1 0 329.440 3.576 20 0 EHADRM C[C@@H]1CCC[C@H](OCCCCCC(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001594355988 999343474 /nfs/dbraw/zinc/34/34/74/999343474.db2.gz OWMQWFGCPXHFFW-CABCVRRESA-N -1 0 348.443 3.874 20 0 EHADRM C[C@H]1CCC[C@@H]1CC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001594360479 999363197 /nfs/dbraw/zinc/36/31/97/999363197.db2.gz VRRPGBYSGYWWNU-VHSXEESVSA-N -1 0 327.327 3.751 20 0 EHADRM C[C@@H]1[C@@H](C)CCCN1C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001594377422 999422265 /nfs/dbraw/zinc/42/22/65/999422265.db2.gz CEQMQCADJHCYLP-DTWKUNHWSA-N -1 0 328.771 3.830 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc(Cl)cc3ccccc32)[C@H](C(=O)[O-])C1 ZINC001594406809 999524097 /nfs/dbraw/zinc/52/40/97/999524097.db2.gz FZGCSZVMYYFURV-ZBEGNZNMSA-N -1 0 331.799 3.819 20 0 EHADRM C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1Nc1cccc(C(=O)[O-])c1 ZINC001594407324 999526996 /nfs/dbraw/zinc/52/69/96/999526996.db2.gz SEAORXUHFGGVNY-CZUORRHYSA-N -1 0 348.443 3.832 20 0 EHADRM C[C@@H]1CCSCCN1C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001594440681 999626145 /nfs/dbraw/zinc/62/61/45/999626145.db2.gz VNLCIYUHYFVPFU-GFCCVEGCSA-N -1 0 344.436 3.897 20 0 EHADRM C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001594448711 999645244 /nfs/dbraw/zinc/64/52/44/999645244.db2.gz VZPWWSOPIHHBRQ-VOJFVSQTSA-N -1 0 349.390 3.566 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655576601 1016394480 /nfs/dbraw/zinc/39/44/80/1016394480.db2.gz ROZJVIGWJWGUMY-SJRVDFGRSA-N -1 0 335.488 3.845 20 0 EHADRM O=C(c1ccc2ccccc2c1O)N1CCC[C@H]1[C@@H]1CCCCC1=O ZINC000177613797 1016398629 /nfs/dbraw/zinc/39/86/29/1016398629.db2.gz CGXAQTQUKJWDGW-WMZOPIPTSA-N -1 0 337.419 3.909 20 0 EHADRM CC(C)c1ccc(CCC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655582109 1016484913 /nfs/dbraw/zinc/48/49/13/1016484913.db2.gz IFQNIPZRRRQYKR-FHLIZLRMSA-N -1 0 345.483 3.994 20 0 EHADRM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cc(C2CCCC2)[nH]n1 ZINC000430377121 1016554901 /nfs/dbraw/zinc/55/49/01/1016554901.db2.gz IBTYFCXBYBGMIE-UHFFFAOYSA-N -1 0 337.420 3.624 20 0 EHADRM Cc1cccc(C)c1[C@@H](C)NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000544875734 1016555103 /nfs/dbraw/zinc/55/51/03/1016555103.db2.gz MDPBPIRAVDPFBU-IIBYNOLFSA-N -1 0 339.435 3.913 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000326714942 1016609746 /nfs/dbraw/zinc/60/97/46/1016609746.db2.gz DDTMOJZANCDVFR-UHFFFAOYSA-N -1 0 341.338 3.551 20 0 EHADRM CC(C)(C)c1ccc(CNC(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000659395454 1016647648 /nfs/dbraw/zinc/64/76/48/1016647648.db2.gz OUNWQGJHXGUUJY-UHFFFAOYSA-N -1 0 346.471 3.771 20 0 EHADRM COc1ccc(Nc2ccnn2Cc2ccccc2F)cc1C(=O)[O-] ZINC001209896829 1016653124 /nfs/dbraw/zinc/65/31/24/1016653124.db2.gz MKTBOBXWYIGMLJ-UHFFFAOYSA-N -1 0 341.342 3.521 20 0 EHADRM CS(=O)(=O)[N-]c1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1 ZINC000547815303 1016706666 /nfs/dbraw/zinc/70/66/66/1016706666.db2.gz BXRAVGMYIHXRPB-UHFFFAOYSA-N -1 0 342.445 3.753 20 0 EHADRM Cc1coc2ccc([N-]S(=O)(=O)c3c(C)nn(C(C)C)c3C)cc12 ZINC000547822523 1016870099 /nfs/dbraw/zinc/87/00/99/1016870099.db2.gz XHCCIAYACHFHSR-UHFFFAOYSA-N -1 0 347.440 3.936 20 0 EHADRM CC[C@@H](NC(=O)c1cc(F)c([O-])c(F)c1)c1ccc(F)cc1F ZINC000180043649 1016884030 /nfs/dbraw/zinc/88/40/30/1016884030.db2.gz YRICLTORKRZDTO-CQSZACIVSA-N -1 0 327.277 3.830 20 0 EHADRM C[C@@H](CNC(=O)c1cc(F)c([O-])c(F)c1)Oc1ccc(Cl)cc1 ZINC000180088406 1016891826 /nfs/dbraw/zinc/89/18/26/1016891826.db2.gz BDLXTLUPWWEEHB-VIFPVBQESA-N -1 0 341.741 3.521 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccccc2)s1)Nc1cccc2cc[nH]c21 ZINC000547826886 1016955013 /nfs/dbraw/zinc/95/50/13/1016955013.db2.gz XMNFWKZWSMYLEA-UHFFFAOYSA-N -1 0 335.392 3.752 20 0 EHADRM Cc1ccc(C)c(SCC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000655584055 1016971434 /nfs/dbraw/zinc/97/14/34/1016971434.db2.gz DYVCECQOIRYRTC-SOUVJXGZSA-N -1 0 349.496 3.647 20 0 EHADRM C[C@@H](NC(=O)[C@H]1CC[C@H](C2CCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000659765632 1016983741 /nfs/dbraw/zinc/98/37/41/1016983741.db2.gz HRPYYPYEMXMKJA-FYNNLBNCSA-N -1 0 335.488 3.845 20 0 EHADRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)c1sccc1C1CC1 ZINC000449135191 1032230884 /nfs/dbraw/zinc/23/08/84/1032230884.db2.gz OCBGMVPSCFKIIZ-HNNXBMFYSA-N -1 0 343.448 3.831 20 0 EHADRM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000414621974 1017071930 /nfs/dbraw/zinc/07/19/30/1017071930.db2.gz GAEMIVFWRNTOFX-HTWSVDAQSA-N -1 0 346.471 3.977 20 0 EHADRM O=S(=O)([N-]c1cc2c(cn1)CCCC2)c1cccc(Cl)c1F ZINC000461212122 1032321460 /nfs/dbraw/zinc/32/14/60/1032321460.db2.gz PHBLDXCSQUVHAB-UHFFFAOYSA-N -1 0 340.807 3.554 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2ccccc2F)c2ncccc12 ZINC000184922406 1032345887 /nfs/dbraw/zinc/34/58/87/1032345887.db2.gz CZNMHMQVVZRCSP-UHFFFAOYSA-N -1 0 346.383 3.573 20 0 EHADRM C[C@@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1csc2ccccc21 ZINC000905114677 1032348754 /nfs/dbraw/zinc/34/87/54/1032348754.db2.gz PZLNOYAHCJYKQB-UPJWGTAASA-N -1 0 331.437 3.970 20 0 EHADRM C[C@@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1cc2ccccc2s1 ZINC000905114211 1032349641 /nfs/dbraw/zinc/34/96/41/1032349641.db2.gz HAEXNEKIWXWRPF-BNOWGMLFSA-N -1 0 331.437 3.970 20 0 EHADRM O=c1nc(CN2CC[C@@H]2c2ccc(Cl)cc2)[n-]c2ccsc21 ZINC000081604608 1032351911 /nfs/dbraw/zinc/35/19/11/1032351911.db2.gz NWKPUGOSPZLEAR-CYBMUJFWSA-N -1 0 331.828 3.585 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000905124051 1032353075 /nfs/dbraw/zinc/35/30/75/1032353075.db2.gz NXEYPIJEUPGRQS-QLFBSQMISA-N -1 0 335.831 3.547 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000538505383 1032403575 /nfs/dbraw/zinc/40/35/75/1032403575.db2.gz SKHKSZNQOZMTCF-CQSZACIVSA-N -1 0 343.345 3.859 20 0 EHADRM C[C@H]1CCCc2ccccc2[C@H]1NC(=O)NCCCCCC(=O)[O-] ZINC000414638115 1017089214 /nfs/dbraw/zinc/08/92/14/1017089214.db2.gz GPEMFDJXBODQAZ-KSSFIOAISA-N -1 0 332.444 3.644 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c(F)c1 ZINC000404971644 1032466733 /nfs/dbraw/zinc/46/67/33/1032466733.db2.gz LORIMVWNRPODRE-UHFFFAOYSA-N -1 0 344.205 3.697 20 0 EHADRM CCC[C@@H](NC(=O)NCCCCCC(=O)[O-])c1ccc(F)cc1F ZINC000414632366 1017093913 /nfs/dbraw/zinc/09/39/13/1017093913.db2.gz SCHPZUXMWJMSHG-OAHLLOKOSA-N -1 0 342.386 3.750 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)N(C)CCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000414634107 1017095449 /nfs/dbraw/zinc/09/54/49/1017095449.db2.gz WUESYJOOKBJBTQ-BLLLJJGKSA-N -1 0 340.851 3.933 20 0 EHADRM CC(C)CCc1n[n-]c(=NCc2cc(F)ccc2Br)o1 ZINC000537492362 1033392879 /nfs/dbraw/zinc/39/28/79/1033392879.db2.gz MZYAAXKUXLYGBW-UHFFFAOYSA-N -1 0 342.212 3.594 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)N[C@@H](CC1CCC1)c1ccccc1)C(=O)[O-] ZINC000601994368 1032585104 /nfs/dbraw/zinc/58/51/04/1032585104.db2.gz VDPLFXSPIVGFQI-XEZPLFJOSA-N -1 0 335.469 3.629 20 0 EHADRM CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@@H](C)S[C@@H](C)C(=O)[O-] ZINC000601994091 1032586797 /nfs/dbraw/zinc/58/67/97/1032586797.db2.gz LSCBAIBCOXBCIJ-NEPJUHHUSA-N -1 0 343.876 3.672 20 0 EHADRM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cc(C)c(C)s2)c1 ZINC000091016453 1032615841 /nfs/dbraw/zinc/61/58/41/1032615841.db2.gz IBCKCYCGRKEJCK-NSHDSACASA-N -1 0 325.455 3.873 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3nccn3C)c2)sc1C ZINC000091050993 1032627516 /nfs/dbraw/zinc/62/75/16/1032627516.db2.gz VVSKAABJIJFSIO-UHFFFAOYSA-N -1 0 347.465 3.566 20 0 EHADRM c1noc(C2CC2)c1CSc1n[n-]c(=NC2CCCCC2)s1 ZINC000328661830 1017081380 /nfs/dbraw/zinc/08/13/80/1017081380.db2.gz AJIGZYCBESNYMW-UHFFFAOYSA-N -1 0 336.486 3.862 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)c1cc(F)c([O-])c(F)c1)C(F)(F)F ZINC000183456984 1017334821 /nfs/dbraw/zinc/33/48/21/1017334821.db2.gz PSTCLQVYZDTVLO-SNVBAGLBSA-N -1 0 325.277 3.767 20 0 EHADRM CCOc1cccc(S(=O)(=O)Nc2cccc(-c3cnco3)c2)c1 ZINC000377111497 1017339154 /nfs/dbraw/zinc/33/91/54/1017339154.db2.gz HVJGFOWSTSNKSO-UHFFFAOYSA-N -1 0 344.392 3.541 20 0 EHADRM Cc1ccc([C@H]([N-]S(=O)(=O)CCC2CCCC2)C(F)(F)F)o1 ZINC000655660314 1017347867 /nfs/dbraw/zinc/34/78/67/1017347867.db2.gz UELNNDGVIFDVNJ-ZDUSSCGKSA-N -1 0 339.379 3.691 20 0 EHADRM Cc1cccc(NC2CCN(C(=O)c3c([O-])cc(F)cc3F)CC2)c1 ZINC000157769026 1017502536 /nfs/dbraw/zinc/50/25/36/1017502536.db2.gz RUGYXPWOTBSNHR-UHFFFAOYSA-N -1 0 346.377 3.696 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)N[C@@H](CC(=O)[O-])C1CCCCC1 ZINC000537402250 1032706120 /nfs/dbraw/zinc/70/61/20/1032706120.db2.gz FBIFVDVAJAPYFN-KSSFIOAISA-N -1 0 349.446 3.934 20 0 EHADRM CCOc1cccc(CN=c2[n-]nc(CCCc3ccccc3)o2)c1 ZINC000537404894 1032708288 /nfs/dbraw/zinc/70/82/88/1032708288.db2.gz AZTPWDSOZWCLOM-UHFFFAOYSA-N -1 0 337.423 3.678 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(OCC2CC2)cc1)C1CCCCC1 ZINC000537409811 1032711729 /nfs/dbraw/zinc/71/17/29/1032711729.db2.gz ALCWDXMLXFRMHA-GOSISDBHSA-N -1 0 345.439 3.629 20 0 EHADRM C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000545366579 1017648614 /nfs/dbraw/zinc/64/86/14/1017648614.db2.gz QBFUCMHJCITNDJ-SNPRPXQTSA-N -1 0 349.418 3.658 20 0 EHADRM CO[C@@H](C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)C1CCCCC1 ZINC000659129792 1017818451 /nfs/dbraw/zinc/81/84/51/1017818451.db2.gz CMKZISGVFOKSCY-CQSZACIVSA-N -1 0 325.792 3.572 20 0 EHADRM C[C@H](NC(=O)N([C@@H](C)C(=O)[O-])C1CC1)c1cc2ccccc2s1 ZINC000574134257 1032727797 /nfs/dbraw/zinc/72/77/97/1032727797.db2.gz DRSYCJNJAYZWRI-QWRGUYRKSA-N -1 0 332.425 3.609 20 0 EHADRM C[C@@H](NC(=O)N([C@H](C)C(=O)[O-])C1CC1)c1cc2ccccc2s1 ZINC000574134255 1032728163 /nfs/dbraw/zinc/72/81/63/1032728163.db2.gz DRSYCJNJAYZWRI-GHMZBOCLSA-N -1 0 332.425 3.609 20 0 EHADRM O=C([N-]S(=O)(=O)/C=C\c1ccccc1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000255125491 1017862790 /nfs/dbraw/zinc/86/27/90/1017862790.db2.gz RNJOYDLXBFVBSH-VMRSZETBSA-N -1 0 347.480 3.710 20 0 EHADRM Cc1cccc(CN(C)C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1C ZINC000655900772 1017878083 /nfs/dbraw/zinc/87/80/83/1017878083.db2.gz WUYSQMPLJCUFLL-HYVNUMGLSA-N -1 0 346.471 3.580 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@@]2(CC=CCC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655904573 1017893990 /nfs/dbraw/zinc/89/39/90/1017893990.db2.gz LATSZXMZGFAXQN-MFCZKXCZSA-N -1 0 348.487 3.654 20 0 EHADRM O=C(N[C@@H]1CCC[C@H]1Cc1ccccc1)c1c([O-])cc(F)cc1F ZINC000606534417 1032741861 /nfs/dbraw/zinc/74/18/61/1032741861.db2.gz NIXBMMQGPTXIIV-XJKSGUPXSA-N -1 0 331.362 3.812 20 0 EHADRM c1cc(-c2n[nH]cc2CN=c2[n-]nc(C3CCCCC3)o2)cs1 ZINC000548031486 1018402650 /nfs/dbraw/zinc/40/26/50/1018402650.db2.gz WUAAHQILFDWGPY-UHFFFAOYSA-N -1 0 329.429 3.603 20 0 EHADRM COc1ccc(Cl)cc1CC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000325482085 1032763165 /nfs/dbraw/zinc/76/31/65/1032763165.db2.gz IEXPPYZOYVXMSS-UHFFFAOYSA-N -1 0 347.798 3.547 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc(Br)cc2F)CCCC1 ZINC000013252516 1018445202 /nfs/dbraw/zinc/44/52/02/1018445202.db2.gz GHLCZYXHNYNFSQ-UHFFFAOYSA-N -1 0 344.180 3.562 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ncccc2-c2ccccc2)s1 ZINC000092389274 1032774164 /nfs/dbraw/zinc/77/41/64/1032774164.db2.gz UQUFXGCJKVWGOD-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000237047360 1018854939 /nfs/dbraw/zinc/85/49/39/1018854939.db2.gz HOZPFOCZFDOOFP-SJORKVTESA-N -1 0 343.810 3.800 20 0 EHADRM O=S(=O)([N-]c1cccc2ccccc21)c1cnc(Cl)c(F)c1 ZINC000319548784 1018963961 /nfs/dbraw/zinc/96/39/61/1018963961.db2.gz NJMWPXCFZKWDAU-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM CCCCOc1ccc(OC)cc1NC(=O)c1cccc(C(=O)[O-])c1 ZINC000261771161 1019044157 /nfs/dbraw/zinc/04/41/57/1019044157.db2.gz MSNJPLXWJVIEHO-UHFFFAOYSA-N -1 0 343.379 3.825 20 0 EHADRM Cn1cnc2c1nc(Cl)nc2Nc1cc(Cl)c([O-])c(Cl)c1 ZINC001210928015 1019069829 /nfs/dbraw/zinc/06/98/29/1019069829.db2.gz XNHWMMSGHQYJIP-UHFFFAOYSA-N -1 0 344.589 3.773 20 0 EHADRM [S-]c1cccc(Nc2cccc(I)n2)c1 ZINC001210945248 1019095234 /nfs/dbraw/zinc/09/52/34/1019095234.db2.gz ILKGFTWDEYSQNV-UHFFFAOYSA-N -1 0 328.178 3.719 20 0 EHADRM O=C([O-])[C@@]1(NCc2cc3cc(F)ccc3o2)CCc2c1cccc2F ZINC000340678431 1019185676 /nfs/dbraw/zinc/18/56/76/1019185676.db2.gz IZLPESOIDSDXEL-LJQANCHMSA-N -1 0 343.329 3.727 20 0 EHADRM COCc1ccccc1NS(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000055595186 1019205642 /nfs/dbraw/zinc/20/56/42/1019205642.db2.gz XFHJGHNSJODSIO-UHFFFAOYSA-N -1 0 325.817 3.596 20 0 EHADRM CC1=Cc2cccc(NC3([P@@](=O)([O-])O)Cc4ccccc4C3)c2C1 ZINC001167935859 1019208198 /nfs/dbraw/zinc/20/81/98/1019208198.db2.gz DNSGGESPXJERFQ-UHFFFAOYSA-N -1 0 341.347 3.731 20 0 EHADRM CCCC[C@@H](NC(=O)Nc1ncc(-c2ccccc2)s1)C(=O)[O-] ZINC000683920449 1019237754 /nfs/dbraw/zinc/23/77/54/1019237754.db2.gz ANYOMEYQNRSJKP-GFCCVEGCSA-N -1 0 333.413 3.575 20 0 EHADRM Cc1c(NCc2nc3ccc(Cl)cc3n2C)cccc1C(=O)[O-] ZINC000340683251 1019281532 /nfs/dbraw/zinc/28/15/32/1019281532.db2.gz SZQKNKVZZXHXJV-UHFFFAOYSA-N -1 0 329.787 3.845 20 0 EHADRM CC[C@@H](NC(=O)N(C)C1(C(=O)[O-])CCCC1)c1ccc(Cl)cc1 ZINC000580509276 1019522789 /nfs/dbraw/zinc/52/27/89/1019522789.db2.gz RPCGQHZFJGNZKI-CQSZACIVSA-N -1 0 338.835 3.830 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)Nc2cccc(OCC(=O)[O-])c2)cc1 ZINC000262128972 1019542652 /nfs/dbraw/zinc/54/26/52/1019542652.db2.gz QJEIRCIYWXTVFV-UHFFFAOYSA-N -1 0 343.379 3.580 20 0 EHADRM CCC[C@H](NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000262146694 1019549305 /nfs/dbraw/zinc/54/93/05/1019549305.db2.gz OYLQBZMWGRKTGQ-MCIONIFRSA-N -1 0 343.345 3.774 20 0 EHADRM CCCCCCOCc1cccc(NC(=O)c2n[nH]c(C)c2[O-])c1 ZINC001625866291 1019593016 /nfs/dbraw/zinc/59/30/16/1019593016.db2.gz RJZHIDAKZSQRRK-UHFFFAOYSA-N -1 0 331.416 3.773 20 0 EHADRM C[C@H](Sc1ccc(NCc2nc3c(s2)CCC3)cc1)C(=O)[O-] ZINC000669481381 1032845329 /nfs/dbraw/zinc/84/53/29/1032845329.db2.gz DAJOOPKTGIITKA-JTQLQIEISA-N -1 0 334.466 3.809 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)C1CC(C(C)(C)C)C1 ZINC000408500519 1019677961 /nfs/dbraw/zinc/67/79/61/1019677961.db2.gz NQASIDIGLZIDOD-UHFFFAOYSA-N -1 0 343.876 3.526 20 0 EHADRM CCCCOc1ccc(OC)cc1NC(=O)C1CCC(C(=O)[O-])CC1 ZINC000262684836 1019705198 /nfs/dbraw/zinc/70/51/98/1019705198.db2.gz BZJDMLGWAUEDDI-UHFFFAOYSA-N -1 0 349.427 3.704 20 0 EHADRM CC(=O)c1cccc([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c1 ZINC000340733376 1019730455 /nfs/dbraw/zinc/73/04/55/1019730455.db2.gz GKMBAPCWFHJADN-UHFFFAOYSA-N -1 0 345.754 3.622 20 0 EHADRM COc1cc(NC(=O)C2(c3cccc(F)c3)CCC2)ccc1C(=O)[O-] ZINC000262828554 1019739530 /nfs/dbraw/zinc/73/95/30/1019739530.db2.gz BAKNOLXMUDYQKJ-UHFFFAOYSA-N -1 0 343.354 3.593 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(OC(C)(C)C)cc1 ZINC000262912073 1019765241 /nfs/dbraw/zinc/76/52/41/1019765241.db2.gz JQGBBFHWXFFXLL-UHFFFAOYSA-N -1 0 343.379 3.823 20 0 EHADRM C[C@H]1CN(C(=O)C2(c3cccs3)CCCCC2)CC[C@@H]1C(=O)[O-] ZINC000263059490 1019803032 /nfs/dbraw/zinc/80/30/32/1019803032.db2.gz SOWZXNZPBPTQNT-KBPBESRZSA-N -1 0 335.469 3.519 20 0 EHADRM CCCc1nc(C)c(C(=O)Nc2cc(COC)cc(C(=O)[O-])c2)s1 ZINC000263132945 1019821887 /nfs/dbraw/zinc/82/18/87/1019821887.db2.gz TVWVQDKEWYADSD-UHFFFAOYSA-N -1 0 348.424 3.501 20 0 EHADRM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC000263525864 1019923612 /nfs/dbraw/zinc/92/36/12/1019923612.db2.gz JSQGZFDMNLYJQS-FBIMIBRVSA-N -1 0 330.211 3.624 20 0 EHADRM FC(F)(F)c1n[n-]c(=N[C@@H]2CCOc3c(Cl)cccc32)s1 ZINC000580749263 1019965137 /nfs/dbraw/zinc/96/51/37/1019965137.db2.gz GKWHKDPXQKGNOC-MRVPVSSYSA-N -1 0 335.738 3.568 20 0 EHADRM c1ccc([C@H]2CCC[C@H](N=c3[n-]c(C4CCOCC4)no3)C2)cc1 ZINC000580761562 1019991400 /nfs/dbraw/zinc/99/14/00/1019991400.db2.gz JYNHHWUMJVAIHI-IRXDYDNUSA-N -1 0 327.428 3.524 20 0 EHADRM Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1cccc2cc(C)cnc21 ZINC000126790032 1020106551 /nfs/dbraw/zinc/10/65/51/1020106551.db2.gz GHIVSKSMZIAHMR-UHFFFAOYSA-N -1 0 343.408 3.518 20 0 EHADRM Cc1cccc2cc(C(=O)N=c3cc(C(F)(F)F)[n-][nH]3)sc21 ZINC000574282257 1032878392 /nfs/dbraw/zinc/87/83/92/1032878392.db2.gz QQYRQCJSGSTJTG-UHFFFAOYSA-N -1 0 325.315 3.626 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1ccc(-c2ccco2)[nH]c1=O ZINC000345636191 1020407745 /nfs/dbraw/zinc/40/77/45/1020407745.db2.gz WMIJGGLBSCPFEK-UHFFFAOYSA-N -1 0 348.717 3.798 20 0 EHADRM CCSCc1cccc([N-]S(=O)(=O)c2c[nH]c(C(C)C)n2)c1 ZINC000610479051 1020436986 /nfs/dbraw/zinc/43/69/86/1020436986.db2.gz UOSACXJGPYUGQG-UHFFFAOYSA-N -1 0 339.486 3.587 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccccc2)s1)N1CCCC12CCCCC2 ZINC000548154852 1020495092 /nfs/dbraw/zinc/49/50/92/1020495092.db2.gz JQBAZYPQQSBIPQ-UHFFFAOYSA-N -1 0 342.468 3.958 20 0 EHADRM O=S(=O)(CCC1CC1)[N-]c1nc(/C=C/c2ccccc2)cs1 ZINC000545860027 1020564091 /nfs/dbraw/zinc/56/40/91/1020564091.db2.gz MCECHFLEBWEASH-CMDGGOBGSA-N -1 0 334.466 3.855 20 0 EHADRM CCN(Cc1cccc(F)c1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000345934427 1020621695 /nfs/dbraw/zinc/62/16/95/1020621695.db2.gz LFRALKUGZRADBN-UHFFFAOYSA-N -1 0 327.277 3.611 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCCc2cccc(Cl)c2Cl)s1 ZINC000501017348 1020654564 /nfs/dbraw/zinc/65/45/64/1020654564.db2.gz ZGXAMHVHAQRLIM-UHFFFAOYSA-N -1 0 344.219 3.726 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)Nc1ccc2c(c1)CCOC2)C1CCCCC1 ZINC000656485104 1020706176 /nfs/dbraw/zinc/70/61/76/1020706176.db2.gz KJRFTBJASXQHPG-HXUWFJFHSA-N -1 0 345.439 3.759 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000656484640 1020706438 /nfs/dbraw/zinc/70/64/38/1020706438.db2.gz USKGLZAAECMRSU-MNOVXSKESA-N -1 0 325.817 3.667 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000050921126 1020707035 /nfs/dbraw/zinc/70/70/35/1020707035.db2.gz RZYSGBKKVXWWSK-LLVKDONJSA-N -1 0 330.211 3.853 20 0 EHADRM Cc1cc(Br)c(Cl)cc1NC(=O)CC(C)(C)C(=O)[O-] ZINC000656487352 1020711905 /nfs/dbraw/zinc/71/19/05/1020711905.db2.gz RQUFOKVBUQJJPT-UHFFFAOYSA-N -1 0 348.624 3.850 20 0 EHADRM CCC(CC)N(CC)C(=O)N=c1[n-]nc(Cc2ccc(C)cc2)s1 ZINC000581393344 1020784605 /nfs/dbraw/zinc/78/46/05/1020784605.db2.gz ODKVSMYYAQQDAP-UHFFFAOYSA-N -1 0 346.500 3.902 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1F ZINC000313216871 1020793553 /nfs/dbraw/zinc/79/35/53/1020793553.db2.gz KHQKSAZYDNKHJC-UHFFFAOYSA-N -1 0 344.205 3.697 20 0 EHADRM Cc1noc(C)c1C[C@@H](C)NC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000933256501 1020830397 /nfs/dbraw/zinc/83/03/97/1020830397.db2.gz MRUNWFHZYWWTDP-SSDOTTSWSA-N -1 0 343.210 3.665 20 0 EHADRM O=S(=O)(C=C([O-])c1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000322431161 1020972303 /nfs/dbraw/zinc/97/23/03/1020972303.db2.gz ATLKNCZMPDDXHT-UHFFFAOYSA-N -1 0 347.194 3.789 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cc(C)c(Cl)s2)c(C)c1 ZINC000190278426 1021015752 /nfs/dbraw/zinc/01/57/52/1021015752.db2.gz SQAPDQVDPQQJMU-UHFFFAOYSA-N -1 0 331.846 3.828 20 0 EHADRM Cc1ccc(C(=O)N=c2ccc(C3CC3)n[n-]2)cc1Oc1ccncc1 ZINC000341191132 1021068067 /nfs/dbraw/zinc/06/80/67/1021068067.db2.gz KPWMXZVHEWCIDU-UHFFFAOYSA-N -1 0 346.390 3.524 20 0 EHADRM O=C(Cc1ccc(Br)s1)Nc1ccc(F)c(F)c1[O-] ZINC001625987861 1032958711 /nfs/dbraw/zinc/95/87/11/1032958711.db2.gz GJQYQELMRMYTDG-UHFFFAOYSA-N -1 0 348.168 3.676 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2c[nH]c(C(F)(F)F)c2)c1 ZINC000436768035 1021216407 /nfs/dbraw/zinc/21/64/07/1021216407.db2.gz VTQLXBPLXSATFM-UHFFFAOYSA-N -1 0 326.274 3.584 20 0 EHADRM CCc1cccnc1[N-]S(=O)(=O)c1cccc(O[C@@H](C)CC)c1 ZINC000656731114 1021222728 /nfs/dbraw/zinc/22/27/28/1021222728.db2.gz MRZXCPZSQCYBBG-ZDUSSCGKSA-N -1 0 334.441 3.622 20 0 EHADRM CCOc1cc(/C=C\c2nc3c(cccc3C(=O)[O-])o2)ccc1O ZINC000436784495 1021225687 /nfs/dbraw/zinc/22/56/87/1021225687.db2.gz QLYXZNQAQZTOTH-CLFYSBASSA-N -1 0 325.320 3.801 20 0 EHADRM CCc1ccncc1[N-]S(=O)(=O)c1cccc(O[C@@H](C)CC)c1 ZINC000656734189 1021228434 /nfs/dbraw/zinc/22/84/34/1021228434.db2.gz BQSUGMABIJWLCD-ZDUSSCGKSA-N -1 0 334.441 3.622 20 0 EHADRM O=C(Nc1nc(CC(F)(F)F)cs1)c1ccc([O-])c(Cl)c1 ZINC000436794491 1021239973 /nfs/dbraw/zinc/23/99/73/1021239973.db2.gz OLWFYWPOXDLVKC-UHFFFAOYSA-N -1 0 336.722 3.859 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000436817771 1021244271 /nfs/dbraw/zinc/24/42/71/1021244271.db2.gz YMKOVXIVQAWJKB-UHFFFAOYSA-N -1 0 344.773 3.795 20 0 EHADRM CC(C)N(C(=O)c1cc(Cl)c2ccccc2c1[O-])[C@H]1CCOC1 ZINC000436828065 1021279944 /nfs/dbraw/zinc/27/99/44/1021279944.db2.gz GQGNNQFPTCWEHA-LBPRGKRZSA-N -1 0 333.815 3.838 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cc(-c3ccc(C)cc3)no2)c1 ZINC000436859359 1021298760 /nfs/dbraw/zinc/29/87/60/1021298760.db2.gz BCMCEWMDFJRUMQ-UHFFFAOYSA-N -1 0 336.347 3.811 20 0 EHADRM O=C([O-])c1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c1Cl ZINC000656768627 1021301135 /nfs/dbraw/zinc/30/11/35/1021301135.db2.gz LTKYXXPKILTCPY-CZUORRHYSA-N -1 0 337.847 3.819 20 0 EHADRM CN(C(=O)c1cc(Cl)cc(Br)c1[O-])[C@@H]1CC1(C)C ZINC000436865204 1021303750 /nfs/dbraw/zinc/30/37/50/1021303750.db2.gz RUXOVRIPEUVBAP-SNVBAGLBSA-N -1 0 332.625 3.679 20 0 EHADRM O=C(Nc1cccc(O)c1)c1cc(Cl)cc(Br)c1[O-] ZINC000436881779 1021332164 /nfs/dbraw/zinc/33/21/64/1021332164.db2.gz OVIKHUVZMMVXAQ-UHFFFAOYSA-N -1 0 342.576 3.766 20 0 EHADRM CCCN1CCN(C(=O)c2c([O-])cccc2F)c2ccc(F)cc21 ZINC000436888228 1021342192 /nfs/dbraw/zinc/34/21/92/1021342192.db2.gz RFRNLJIAYMJUJZ-UHFFFAOYSA-N -1 0 332.350 3.547 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)[C@@H](C)Cc2ccccc2)s[n-]1 ZINC000436905430 1021352340 /nfs/dbraw/zinc/35/23/40/1021352340.db2.gz OFSPGEASAOXHJV-LBPRGKRZSA-N -1 0 343.477 3.814 20 0 EHADRM Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1cc(Cl)ccc1[O-] ZINC000436913213 1021359702 /nfs/dbraw/zinc/35/97/02/1021359702.db2.gz USFLRFUBSHCKJI-UHFFFAOYSA-N -1 0 327.771 3.996 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)cc1Cl ZINC000507578670 1021370772 /nfs/dbraw/zinc/37/07/72/1021370772.db2.gz HADUKIORSKKHGK-UHFFFAOYSA-N -1 0 335.816 3.580 20 0 EHADRM Cc1cccc2oc(CCNC(=O)c3cc(F)c([O-])c(Cl)c3)nc21 ZINC000436927709 1021390343 /nfs/dbraw/zinc/39/03/43/1021390343.db2.gz OSUHCVQXKICUKF-UHFFFAOYSA-N -1 0 348.761 3.607 20 0 EHADRM Cc1cc(C)n(-c2ccc(NC(=O)c3c([O-])cccc3F)cc2F)n1 ZINC000436951374 1021393200 /nfs/dbraw/zinc/39/32/00/1021393200.db2.gz RLXAIKYMYDAFEL-UHFFFAOYSA-N -1 0 343.333 3.725 20 0 EHADRM [O-]c1cc(Cl)ccc1-c1nc(Cc2c[nH]c3ncccc23)no1 ZINC000436942045 1021403050 /nfs/dbraw/zinc/40/30/50/1021403050.db2.gz TYKHNBCNNALSIG-UHFFFAOYSA-N -1 0 326.743 3.563 20 0 EHADRM Cc1cc(C)cc(OCCNC(=O)c2cc(F)c([O-])c(Cl)c2)c1 ZINC000436944355 1021406418 /nfs/dbraw/zinc/40/64/18/1021406418.db2.gz POITXBYPOZXUFW-UHFFFAOYSA-N -1 0 337.778 3.610 20 0 EHADRM Cc1cc([C@@H](NC(=O)c2cc(F)c([O-])c(F)c2)C2CC2)ccc1F ZINC000436963324 1021410530 /nfs/dbraw/zinc/41/05/30/1021410530.db2.gz BWOSNMNZDDSOHK-INIZCTEOSA-N -1 0 335.325 3.999 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc(Br)cc(Cl)c2[O-])C[C@H]1C ZINC000436960721 1021410554 /nfs/dbraw/zinc/41/05/54/1021410554.db2.gz HVXJSBHVBOTFML-DTWKUNHWSA-N -1 0 346.652 3.926 20 0 EHADRM COc1cccc([C@H]2C[C@H](C)CN2C(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000436969221 1021416437 /nfs/dbraw/zinc/41/64/37/1021416437.db2.gz XMTDEYWCHPKENT-APPDUMDISA-N -1 0 347.361 3.902 20 0 EHADRM CCC1(CC)[C@H](N(C)C(=O)c2cc(F)c([O-])c(Cl)c2)C[C@@H]1OC ZINC000436954327 1021418740 /nfs/dbraw/zinc/41/87/40/1021418740.db2.gz VPFJAYUDEZGJRC-KGLIPLIRSA-N -1 0 343.826 3.850 20 0 EHADRM Cc1ccc(C(C)(C)NC(=O)c2ccc(C(F)(F)F)cc2O)cn1 ZINC000436958257 1021421064 /nfs/dbraw/zinc/42/10/64/1021421064.db2.gz FSSDGZBGQXRBRI-UHFFFAOYSA-N -1 0 338.329 3.780 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCc2c(F)cc(F)cc2C1 ZINC000436958945 1021423108 /nfs/dbraw/zinc/42/31/08/1021423108.db2.gz BATUAKSPOJUBAV-UHFFFAOYSA-N -1 0 341.716 3.661 20 0 EHADRM O=C(NCCc1ccc(Cl)cc1Cl)c1cc(F)c([O-])c(F)c1 ZINC000436959907 1021423718 /nfs/dbraw/zinc/42/37/18/1021423718.db2.gz FPJIEHJUYFJXIQ-UHFFFAOYSA-N -1 0 346.160 3.950 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cc(C(F)(F)F)ccc1F ZINC000261751507 1021442062 /nfs/dbraw/zinc/44/20/62/1021442062.db2.gz UUJRVOVCGQKJIK-LLVKDONJSA-N -1 0 347.308 3.704 20 0 EHADRM O=S(=O)(CCc1cccc(Cl)c1)[N-]c1cccc2cccnc21 ZINC000506583123 1021452793 /nfs/dbraw/zinc/45/27/93/1021452793.db2.gz FQNSUWUCZFMISU-UHFFFAOYSA-N -1 0 346.839 3.873 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1C ZINC000518746046 1021505622 /nfs/dbraw/zinc/50/56/22/1021505622.db2.gz GQUIFEHOJYFKGM-UHFFFAOYSA-N -1 0 325.455 3.953 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1Cc1nc(C2CCCC2)no1 ZINC000516665300 1021648854 /nfs/dbraw/zinc/64/88/54/1021648854.db2.gz YRSANGRDRZITNG-HOTGVXAUSA-N -1 0 347.459 3.583 20 0 EHADRM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)CCC(C)(C)C ZINC000548209410 1021715942 /nfs/dbraw/zinc/71/59/42/1021715942.db2.gz JQEGTLYVYSLQSX-UHFFFAOYSA-N -1 0 333.837 3.525 20 0 EHADRM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccnn1-c1ccccc1 ZINC000437341531 1021735228 /nfs/dbraw/zinc/73/52/28/1021735228.db2.gz MTTAYPIGZWOCEG-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2)c1 ZINC000437342683 1021756250 /nfs/dbraw/zinc/75/62/50/1021756250.db2.gz OCHLSYMAUYSSPJ-UHFFFAOYSA-N -1 0 341.436 3.797 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)nc1 ZINC000439882862 1021796149 /nfs/dbraw/zinc/79/61/49/1021796149.db2.gz LLSSNPGIRWEQQN-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM O=C([O-])c1coc(N2CCC(c3nc4cc(Cl)ccc4o3)CC2)n1 ZINC000581827521 1021826971 /nfs/dbraw/zinc/82/69/71/1021826971.db2.gz UPWQWXXSJGQEJX-UHFFFAOYSA-N -1 0 347.758 3.551 20 0 EHADRM Cc1ccccc1NC(=O)N1CCC[C@]1(Cc1ccccc1)C(=O)[O-] ZINC000516947498 1021881713 /nfs/dbraw/zinc/88/17/13/1021881713.db2.gz NAIMEIBACHVUST-FQEVSTJZSA-N -1 0 338.407 3.689 20 0 EHADRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1F ZINC000581861524 1021934412 /nfs/dbraw/zinc/93/44/12/1021934412.db2.gz BDZIKNHJMOSZML-UHFFFAOYSA-N -1 0 336.750 3.598 20 0 EHADRM CCc1n[n-]c(=NC(=O)N(C)[C@@H]2CCC[C@@H]2c2ccc(C)cc2)s1 ZINC000437593039 1021982237 /nfs/dbraw/zinc/98/22/37/1021982237.db2.gz SWYALFDPDXXOOI-HUUCEWRRSA-N -1 0 344.484 3.631 20 0 EHADRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ncccc1C(C)C ZINC000548280538 1022005326 /nfs/dbraw/zinc/00/53/26/1022005326.db2.gz OMUUQSNQLBQYNS-UHFFFAOYSA-N -1 0 341.436 3.862 20 0 EHADRM Cc1ccc(C(=O)N=c2[n-]nc(C(C)(C)c3ccccc3)s2)cc1 ZINC000519327547 1022014607 /nfs/dbraw/zinc/01/46/07/1022014607.db2.gz FUQIWQXOXBJXMO-UHFFFAOYSA-N -1 0 337.448 3.847 20 0 EHADRM CCC(CC)(CC(=O)NCC1(Cc2ccccc2)CCC1)C(=O)[O-] ZINC000341480761 1022034030 /nfs/dbraw/zinc/03/40/30/1022034030.db2.gz MHHDMCBKWOCEER-UHFFFAOYSA-N -1 0 331.456 3.797 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cccc3c(C)ccnc32)c(C)c1 ZINC000548282937 1022066458 /nfs/dbraw/zinc/06/64/58/1022066458.db2.gz LBLZMJJUJKZGIY-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM C[C@@H]1CC[C@](C[NH2+]Cc2csc(-c3ccccn3)n2)(CC(=O)[O-])C1 ZINC000426632131 1022094284 /nfs/dbraw/zinc/09/42/84/1022094284.db2.gz SMKIOFUOTQVLDQ-FZKQIMNGSA-N -1 0 345.468 3.576 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1ccc2[nH]c(C)cc2c1 ZINC000188349655 1022100536 /nfs/dbraw/zinc/10/05/36/1022100536.db2.gz ZNGYSYWKVMQWGA-UHFFFAOYSA-N -1 0 332.450 3.999 20 0 EHADRM CC(C)(C)c1cnc(NC(=O)c2nn(-c3ccccc3)cc2[O-])s1 ZINC000440338516 1022111277 /nfs/dbraw/zinc/11/12/77/1022111277.db2.gz JCWWYAAQLAUYQP-UHFFFAOYSA-N -1 0 342.424 3.584 20 0 EHADRM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)C[C@H]1CCCO1 ZINC000048471736 1022155409 /nfs/dbraw/zinc/15/54/09/1022155409.db2.gz PUYPYIDNXKYIKU-CQSZACIVSA-N -1 0 339.457 3.507 20 0 EHADRM O=Cc1ccc(-c2ccc(O)c(C(=O)N3CCC[C@@H]4CCC[C@@H]43)c2)o1 ZINC000933568692 1022175719 /nfs/dbraw/zinc/17/57/19/1022175719.db2.gz SOXNKCUUIHHLDW-GUYCJALGSA-N -1 0 339.391 3.869 20 0 EHADRM CCCN(C(=O)NCc1ccc(Cl)cc1Cl)[C@H](CC)C(=O)[O-] ZINC000517273023 1022186679 /nfs/dbraw/zinc/18/66/79/1022186679.db2.gz WQBLHLZXOBNGKR-CYBMUJFWSA-N -1 0 347.242 3.778 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1ccc2scnc2c1 ZINC000188406968 1022225390 /nfs/dbraw/zinc/22/53/90/1022225390.db2.gz NLXFEVSMBBSMQE-UHFFFAOYSA-N -1 0 336.463 3.819 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2sccc2Cl)nn1[C@H](C)C1CC1 ZINC000519521644 1022237157 /nfs/dbraw/zinc/23/71/57/1022237157.db2.gz CEJJJEBRYCTIQC-SECBINFHSA-N -1 0 345.877 3.678 20 0 EHADRM Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000437912730 1022261662 /nfs/dbraw/zinc/26/16/62/1022261662.db2.gz DFGXYTPGFBPDQH-UHFFFAOYSA-N -1 0 347.802 3.700 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)N[C@H](C)c1cc2ccccc2s1 ZINC000519524701 1022272182 /nfs/dbraw/zinc/27/21/82/1022272182.db2.gz SBZFXAKFXFMXHT-VXGBXAGGSA-N -1 0 334.441 3.857 20 0 EHADRM Cc1ccc(C(=O)C2CCN(C(=O)c3c([O-])cccc3F)CC2)cc1 ZINC000120394545 1022462686 /nfs/dbraw/zinc/46/26/86/1022462686.db2.gz MFBMHKQKAYUZHV-UHFFFAOYSA-N -1 0 341.382 3.575 20 0 EHADRM CCc1cccc(Cc2cnc([N-]S(=O)(=O)c3ccoc3)s2)c1 ZINC000506848621 1022480546 /nfs/dbraw/zinc/48/05/46/1022480546.db2.gz KHBQAQXMVAQKNT-UHFFFAOYSA-N -1 0 348.449 3.690 20 0 EHADRM CSc1c(F)cccc1C(=O)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1 ZINC000438236537 1022495001 /nfs/dbraw/zinc/49/50/01/1022495001.db2.gz MNVALEDKMMZDJG-UHFFFAOYSA-N -1 0 343.383 3.896 20 0 EHADRM CCCCCN(CCCCC)C(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000517704544 1022582324 /nfs/dbraw/zinc/58/23/24/1022582324.db2.gz DSQQCWFRYPTNQC-UHFFFAOYSA-N -1 0 345.443 3.853 20 0 EHADRM CN(Cc1csc2ccccc12)C(=O)c1s[n-]c(=O)c1Cl ZINC000550148043 1022589027 /nfs/dbraw/zinc/58/90/27/1022589027.db2.gz KITSYDJJLRBBCC-UHFFFAOYSA-N -1 0 338.841 3.989 20 0 EHADRM CC(C)c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)no1 ZINC000292633757 1022589712 /nfs/dbraw/zinc/58/97/12/1022589712.db2.gz SPMMXHWZBXBELP-UHFFFAOYSA-N -1 0 340.348 3.679 20 0 EHADRM Cc1cccc([C@@H]([N-]S(=O)(=O)CCC2CCC2)C(F)(F)F)c1 ZINC000517783566 1022651528 /nfs/dbraw/zinc/65/15/28/1022651528.db2.gz RXJKWEDJENMEQD-CQSZACIVSA-N -1 0 335.391 3.708 20 0 EHADRM CCC[C@H]1CCCCN1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000330897374 1022709247 /nfs/dbraw/zinc/70/92/47/1022709247.db2.gz UEJURLRXRAOXFE-ZDUSSCGKSA-N -1 0 331.391 3.512 20 0 EHADRM CSCC1(CC(=O)Nc2n[nH]c(-c3cc4ccccc4o3)n2)CC1 ZINC000593894958 1033076857 /nfs/dbraw/zinc/07/68/57/1033076857.db2.gz VYXSHWYUQGXPRL-UHFFFAOYSA-N -1 0 342.424 3.690 20 0 EHADRM C[C@H]1CC[C@H](CSc2n[n-]c(=Nc3cccc(F)c3)s2)O1 ZINC000473781277 1022755803 /nfs/dbraw/zinc/75/58/03/1022755803.db2.gz XSRPVOLSQMUQQQ-JOYOIKCWSA-N -1 0 325.434 3.502 20 0 EHADRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ncc(C(C)C)s1 ZINC000331317433 1022783955 /nfs/dbraw/zinc/78/39/55/1022783955.db2.gz GIIIUKBPUJSYBM-UHFFFAOYSA-N -1 0 340.470 3.693 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccncc2)cc1 ZINC000111995562 1022784352 /nfs/dbraw/zinc/78/43/52/1022784352.db2.gz SZLUMSGGTFGZHQ-UHFFFAOYSA-N -1 0 340.404 3.983 20 0 EHADRM CC(F)(F)c1cccc([N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000188555759 1022826080 /nfs/dbraw/zinc/82/60/80/1022826080.db2.gz CZDBCOJUSFJARJ-UHFFFAOYSA-N -1 0 333.306 3.877 20 0 EHADRM CC(C)C[C@H]1C[C@@H](NC(=O)c2cc(F)cc(Cl)c2[O-])CCO1 ZINC000334087105 1022848840 /nfs/dbraw/zinc/84/88/40/1022848840.db2.gz KGUQTCCNNRDILO-RYUDHWBXSA-N -1 0 329.799 3.508 20 0 EHADRM CC[C@@H]1C[C@H](C)CN1C(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000473819438 1022861066 /nfs/dbraw/zinc/86/10/66/1022861066.db2.gz NZBCQWLXXFAYBB-GXSJLCMTSA-N -1 0 336.486 3.649 20 0 EHADRM O=C(NCc1ccc(Cl)cc1F)c1cc(F)c(F)c([O-])c1F ZINC000188651480 1022873293 /nfs/dbraw/zinc/87/32/93/1022873293.db2.gz VLNOFNIEXSSWEP-UHFFFAOYSA-N -1 0 333.668 3.532 20 0 EHADRM C[C@H]1C[C@@H](O)CCN1C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000293657989 1022883174 /nfs/dbraw/zinc/88/31/74/1022883174.db2.gz CBBRYOOFWNYBDE-WFASDCNBSA-N -1 0 345.826 3.698 20 0 EHADRM COc1cc(Nc2ccc(Br)cc2[S-])ccc1CO ZINC001216115707 1022892555 /nfs/dbraw/zinc/89/25/55/1022892555.db2.gz YZXPSWWLANEZRO-UHFFFAOYSA-N -1 0 340.242 3.982 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2Cl)cc1 ZINC000112266033 1022914461 /nfs/dbraw/zinc/91/44/61/1022914461.db2.gz SCCCCOHJEAGALC-UHFFFAOYSA-N -1 0 341.816 3.548 20 0 EHADRM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc2ccoc2c1 ZINC000518066369 1022968562 /nfs/dbraw/zinc/96/85/62/1022968562.db2.gz GVVKKQWAUXBVDX-UHFFFAOYSA-N -1 0 347.440 3.703 20 0 EHADRM O=C([O-])c1coc(CNCc2ccc(Cl)c(Br)c2)c1 ZINC000426713222 1022980819 /nfs/dbraw/zinc/98/08/19/1022980819.db2.gz CTTIUGCUHBLKEK-UHFFFAOYSA-N -1 0 344.592 3.684 20 0 EHADRM O=C([O-])Cc1ccccc1CNCc1csc(-c2ccsc2)n1 ZINC000426710028 1022994093 /nfs/dbraw/zinc/99/40/93/1022994093.db2.gz UMDHNCJCZDVJND-UHFFFAOYSA-N -1 0 344.461 3.789 20 0 EHADRM Cc1c(F)cccc1-c1ccc(CNCc2cc(C(=O)[O-])co2)o1 ZINC000426709169 1022994129 /nfs/dbraw/zinc/99/41/29/1022994129.db2.gz PUSSMELPFFZTMZ-UHFFFAOYSA-N -1 0 329.327 3.975 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)Nc1cccc(OCC(C)C)c1 ZINC000438814895 1023011771 /nfs/dbraw/zinc/01/17/71/1023011771.db2.gz OLSAKPQJOKIRJI-UHFFFAOYSA-N -1 0 337.416 3.970 20 0 EHADRM Cc1cc(C)cc([C@@H](NCc2nc3c(s2)C[C@@H](C)CC3)C(=O)[O-])c1 ZINC000426753188 1023024010 /nfs/dbraw/zinc/02/40/10/1023024010.db2.gz CIOIHPPSWFAOFN-BBATYDOGSA-N -1 0 344.480 3.800 20 0 EHADRM Cc1cc(CN[C@@H](C(=O)[O-])c2cccs2)sc1Br ZINC000426778934 1023039227 /nfs/dbraw/zinc/03/92/27/1023039227.db2.gz BYBDYAOBKCKABL-SNVBAGLBSA-N -1 0 346.271 3.796 20 0 EHADRM COc1ccc2nc(CN[C@H](CC(=O)[O-])c3ccc(C)o3)sc2c1 ZINC000426806892 1023045807 /nfs/dbraw/zinc/04/58/07/1023045807.db2.gz DPKSJVSTELLXSC-CYBMUJFWSA-N -1 0 346.408 3.512 20 0 EHADRM CCC[C@H](C(=O)[O-])[S@](=O)[C@H](C)c1cccc(Br)c1 ZINC000562978530 1023049881 /nfs/dbraw/zinc/04/98/81/1023049881.db2.gz ULJHDGCSHVQDLY-YHRQMHJJSA-N -1 0 333.247 3.512 20 0 EHADRM CCc1ccc([C@@H](NCc2cnc(C(C)(C)C)s2)C(=O)[O-])cc1 ZINC000426792550 1023052515 /nfs/dbraw/zinc/05/25/15/1023052515.db2.gz JZNGYEFJIRPJKQ-OAHLLOKOSA-N -1 0 332.469 3.919 20 0 EHADRM O=C([O-])[C@H](NCc1cnc(-c2cccs2)s1)c1cccs1 ZINC000426805922 1023060180 /nfs/dbraw/zinc/06/01/80/1023060180.db2.gz HBULWGDTDNTLMX-GFCCVEGCSA-N -1 0 336.463 3.849 20 0 EHADRM C[C@H]1CCC[C@@H](NC(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)C1 ZINC000574376341 1033102582 /nfs/dbraw/zinc/10/25/82/1033102582.db2.gz JJMSFUIDILVNHZ-SWLSCSKDSA-N -1 0 338.835 3.515 20 0 EHADRM CO[C@@H](C)c1nc(=Nc2ccc(CCC(F)(F)F)cc2)s[n-]1 ZINC000509567917 1023067248 /nfs/dbraw/zinc/06/72/48/1023067248.db2.gz HFUQPKXKDVTNPI-VIFPVBQESA-N -1 0 331.363 3.906 20 0 EHADRM COc1cc(N=c2nc([C@@H](C)OC)[n-]s2)cc(OC)c1C(C)C ZINC000509568327 1023068311 /nfs/dbraw/zinc/06/83/11/1023068311.db2.gz JMWSVSDTEHGEEY-SNVBAGLBSA-N -1 0 337.445 3.552 20 0 EHADRM CCc1ccccc1[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000430979078 1023074751 /nfs/dbraw/zinc/07/47/51/1023074751.db2.gz STSAREAQKNZCKI-UHFFFAOYSA-N -1 0 333.306 3.606 20 0 EHADRM CCc1ccc([C@@H](NCc2csc(C(C)(C)C)n2)C(=O)[O-])cc1 ZINC000426834397 1023082840 /nfs/dbraw/zinc/08/28/40/1023082840.db2.gz OHEKJWZEZZKQEC-OAHLLOKOSA-N -1 0 332.469 3.919 20 0 EHADRM C[C@H]1CCN(c2ccnc3c(Br)cccc32)C[C@@H]1C(=O)[O-] ZINC000518185127 1023112297 /nfs/dbraw/zinc/11/22/97/1023112297.db2.gz KHJZUMNEUIJOBI-JQWIXIFHSA-N -1 0 349.228 3.544 20 0 EHADRM CC(C)Cc1ccc(CC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000262100836 1023143220 /nfs/dbraw/zinc/14/32/20/1023143220.db2.gz CIACDILQXQDMRY-GOSISDBHSA-N -1 0 331.456 3.531 20 0 EHADRM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1c([O-])cc(F)cc1F ZINC000127390165 1023166878 /nfs/dbraw/zinc/16/68/78/1023166878.db2.gz DRWBTVNYSLHKCD-QMMMGPOBSA-N -1 0 327.277 3.782 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)c2nn(-c3ccccc3)cc2[O-])c(C)s1 ZINC000438960666 1023175023 /nfs/dbraw/zinc/17/50/23/1023175023.db2.gz OIPNRDHVRIGKEI-GFCCVEGCSA-N -1 0 341.436 3.747 20 0 EHADRM CC[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(C(C)=O)c1)c1ccccc1 ZINC000048559626 1023220980 /nfs/dbraw/zinc/22/09/80/1023220980.db2.gz MQPWBCXZDHGMOC-QGZVFWFLSA-N -1 0 345.420 3.728 20 0 EHADRM CCCCc1oc2ccccc2c1CN(C)C(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000507350646 1023260394 /nfs/dbraw/zinc/26/03/94/1023260394.db2.gz VJDDVFOHWPXONF-CABCVRRESA-N -1 0 343.423 3.845 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000262106641 1023291831 /nfs/dbraw/zinc/29/18/31/1023291831.db2.gz FAJLCVSPYPNUII-OAHLLOKOSA-N -1 0 325.408 3.546 20 0 EHADRM C[C@H](CC(=O)NCC1(CC(=O)[O-])CCCCC1)c1ccc(F)cc1 ZINC000537473870 1033121001 /nfs/dbraw/zinc/12/10/01/1033121001.db2.gz GDDLDJHIRCTNNR-CQSZACIVSA-N -1 0 335.419 3.861 20 0 EHADRM COc1cccc(-c2nc(=NC(=O)C3CCCCCC3)s[n-]2)c1 ZINC000476323507 1033121385 /nfs/dbraw/zinc/12/13/85/1033121385.db2.gz MBGPHJAOGFELBW-UHFFFAOYSA-N -1 0 331.441 3.545 20 0 EHADRM COc1cccc(-c2nc(=NC(=O)[C@H](C)CC3CCCC3)s[n-]2)c1 ZINC000510876261 1023338316 /nfs/dbraw/zinc/33/83/16/1023338316.db2.gz FTFXQEBXZKBNPW-GFCCVEGCSA-N -1 0 345.468 3.791 20 0 EHADRM CC[C@](C)([N-]S(=O)(=O)c1cc(C)c(F)cc1Cl)C(F)(F)F ZINC000548473982 1023423941 /nfs/dbraw/zinc/42/39/41/1023423941.db2.gz CJTSCMWBMQANAF-NSHDSACASA-N -1 0 347.761 3.797 20 0 EHADRM CCCC[C@H](CC)C(=O)N=c1nc(-c2cccc(OC)c2)[n-]s1 ZINC000476351008 1033137938 /nfs/dbraw/zinc/13/79/38/1033137938.db2.gz PCRHEHXZTPSJOL-LBPRGKRZSA-N -1 0 333.457 3.791 20 0 EHADRM Clc1ccc(OCCCN=c2[n-]nc(C3CC3)o2)c(Cl)c1 ZINC000341925056 1023701472 /nfs/dbraw/zinc/70/14/72/1023701472.db2.gz GGFICUYVGAPERF-UHFFFAOYSA-N -1 0 328.199 3.557 20 0 EHADRM CC(C)(C)c1nnc([N-]C(=O)c2cc(-c3cccs3)on2)s1 ZINC000342078311 1023877868 /nfs/dbraw/zinc/87/78/68/1023877868.db2.gz FTWSXYWEHJBYGO-UHFFFAOYSA-N -1 0 334.426 3.804 20 0 EHADRM O=S(=O)(/C=C\c1cccc(Cl)c1)[N-]c1cc(F)ccc1O ZINC000588482281 1023916699 /nfs/dbraw/zinc/91/66/99/1023916699.db2.gz FMLPNBJVJGYITQ-SREVYHEPSA-N -1 0 327.764 3.597 20 0 EHADRM CCc1ccc(O)c([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1 ZINC000535894607 1023968291 /nfs/dbraw/zinc/96/82/91/1023968291.db2.gz BWVDMIQDECIJRO-UHFFFAOYSA-N -1 0 329.780 3.548 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc3c2CN(CC(C)C)C3)c(C)o1 ZINC000181072852 1023982197 /nfs/dbraw/zinc/98/21/97/1023982197.db2.gz JUOGYUDCGFSZBH-UHFFFAOYSA-N -1 0 348.468 3.669 20 0 EHADRM Cc1cccc(C[C@H](C[NH2+]Cc2ncc(C(C)C)s2)C(=O)[O-])c1 ZINC000417554715 1024013810 /nfs/dbraw/zinc/01/38/10/1024013810.db2.gz DARUBRYKQPDQGH-OAHLLOKOSA-N -1 0 332.469 3.608 20 0 EHADRM CC[C@H](C)[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000191093711 1024015567 /nfs/dbraw/zinc/01/55/67/1024015567.db2.gz AGCRNZPYZCGLSR-BHDSKKPTSA-N -1 0 329.799 3.793 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)c2ccc(C)cc2Cl)sc1C(=O)[O-] ZINC000909508342 1024047058 /nfs/dbraw/zinc/04/70/58/1024047058.db2.gz TYHKYANNTNURHD-SECBINFHSA-N -1 0 338.816 3.603 20 0 EHADRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1sc2cc(C)ccc2c1Cl ZINC000785089676 1024065288 /nfs/dbraw/zinc/06/52/88/1024065288.db2.gz FHEKPVDXAVBGOL-SECBINFHSA-N -1 0 345.873 3.721 20 0 EHADRM Cc1ccc(CC(=O)[O-])cc1-c1ccccc1OC[C@H]1CCOC1 ZINC000657204117 1024081438 /nfs/dbraw/zinc/08/14/38/1024081438.db2.gz QSXVUGZAMTWCQY-INIZCTEOSA-N -1 0 326.392 3.704 20 0 EHADRM O=C([O-])C1(S(=O)(=O)c2ccc(-c3ccccc3F)cc2)CCCC1 ZINC000657205002 1024085244 /nfs/dbraw/zinc/08/52/44/1024085244.db2.gz MBBQWXKNKDAJNN-UHFFFAOYSA-N -1 0 348.395 3.664 20 0 EHADRM CCSc1n[n-]c(=NC(=O)Nc2cccc3ccsc32)s1 ZINC000443881086 1024091771 /nfs/dbraw/zinc/09/17/71/1024091771.db2.gz IMBMBEJAGBWMLL-UHFFFAOYSA-N -1 0 336.467 3.931 20 0 EHADRM O=C([O-])Cc1ccc(-c2cc(F)ccc2OC[C@@H]2CCCO2)cc1F ZINC000657204581 1024095299 /nfs/dbraw/zinc/09/52/99/1024095299.db2.gz OBFFVVDDDHUKRV-HNNXBMFYSA-N -1 0 348.345 3.817 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccc(C(C)(C)C)cc1O ZINC000443528346 1024110774 /nfs/dbraw/zinc/11/07/74/1024110774.db2.gz IZAXANKOSRMYII-UHFFFAOYSA-N -1 0 325.455 3.860 20 0 EHADRM CCOc1c(OC)cc(C(=O)[O-])cc1-c1cccc2c1OCCCO2 ZINC000657206799 1024128454 /nfs/dbraw/zinc/12/84/54/1024128454.db2.gz ABGDXGVVKGIDFE-UHFFFAOYSA-N -1 0 344.363 3.620 20 0 EHADRM COCC[C@H](Cc1cccc(-c2cc(OC)cc(OC)c2)c1)C(=O)[O-] ZINC000657207926 1024129217 /nfs/dbraw/zinc/12/92/17/1024129217.db2.gz LDIMLVBVIWMOLS-MRXNPFEDSA-N -1 0 344.407 3.651 20 0 EHADRM COCCOc1ccccc1CNc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000417605135 1024140958 /nfs/dbraw/zinc/14/09/58/1024140958.db2.gz AMHUFEDTWGLMOE-HNNXBMFYSA-N -1 0 343.423 3.587 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C[C@H]2CCC3(CCC3)CO2)c1 ZINC000897808071 1033189091 /nfs/dbraw/zinc/18/90/91/1033189091.db2.gz IXZMTLJPNPRSKP-CQSZACIVSA-N -1 0 331.412 3.663 20 0 EHADRM CCOC1CC(CSc2n[n-]c(=Nc3ccccc3F)s2)C1 ZINC000505433099 1024155753 /nfs/dbraw/zinc/15/57/53/1024155753.db2.gz NBZWYWCYYIPMAY-UHFFFAOYSA-N -1 0 339.461 3.750 20 0 EHADRM O=C([N-]OCc1ccccn1)C1(c2c(Cl)cccc2Cl)CC1 ZINC000909541202 1024162360 /nfs/dbraw/zinc/16/23/60/1024162360.db2.gz XGAOVBYWYSLAMM-UHFFFAOYSA-N -1 0 337.206 3.668 20 0 EHADRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccccc1SC ZINC000434624929 1024220294 /nfs/dbraw/zinc/22/02/94/1024220294.db2.gz BMJHHKQMKGWWSK-UHFFFAOYSA-N -1 0 337.466 3.835 20 0 EHADRM Cc1ccc(SCCC(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1 ZINC000324126843 1024230124 /nfs/dbraw/zinc/23/01/24/1024230124.db2.gz RECYIMZSHPENHZ-OIISXLGYSA-N -1 0 347.480 3.722 20 0 EHADRM COc1cccc(CNc2ccc(S[C@H](C)C(=O)[O-])cc2)c1OC ZINC000417664026 1024274088 /nfs/dbraw/zinc/27/40/88/1024274088.db2.gz XNXGONIQVKSJET-GFCCVEGCSA-N -1 0 347.436 3.881 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)N2CCCC[C@@H](C)C2)s[n-]1 ZINC000330070175 1024310620 /nfs/dbraw/zinc/31/06/20/1024310620.db2.gz HUZROBFMEZHUEK-SNVBAGLBSA-N -1 0 336.486 3.651 20 0 EHADRM CC(C)(C)c1nc(CN[C@@H](CCc2ccccc2)C(=O)[O-])cs1 ZINC000277258094 1024364276 /nfs/dbraw/zinc/36/42/76/1024364276.db2.gz KLHWSINXYAXUAO-HNNXBMFYSA-N -1 0 332.469 3.616 20 0 EHADRM Cc1nnsc1C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000191514034 1024381639 /nfs/dbraw/zinc/38/16/39/1024381639.db2.gz FLNBOAZXIYDAGO-UHFFFAOYSA-N -1 0 338.603 3.765 20 0 EHADRM CCC(CC)(CC(=O)Nc1cc(-c2ccnn2C)ccc1C)C(=O)[O-] ZINC000280883472 1024395927 /nfs/dbraw/zinc/39/59/27/1024395927.db2.gz BHNIFYHULBAWFP-UHFFFAOYSA-N -1 0 343.427 3.615 20 0 EHADRM COc1ccc(CN=c2[n-]nc(CCCc3cccs3)o2)cc1C ZINC000346114225 1024413231 /nfs/dbraw/zinc/41/32/31/1024413231.db2.gz FZZTYXUWDDDNIS-UHFFFAOYSA-N -1 0 343.452 3.657 20 0 EHADRM CCC[C@H](NC(=O)c1ccc(C2CCCCC2)cc1)c1nnn[n-]1 ZINC000434790347 1024429248 /nfs/dbraw/zinc/42/92/48/1024429248.db2.gz TWNZQFYYQMVKBO-INIZCTEOSA-N -1 0 327.432 3.519 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)N1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000425228576 1024464453 /nfs/dbraw/zinc/46/44/53/1024464453.db2.gz ANYGHTNLILVBQV-OXQOHEQNSA-N -1 0 331.456 3.523 20 0 EHADRM CC[C@H](CSc1ccc(C)c(C)c1)N=c1[n-]nc(COC)s1 ZINC000443712943 1024469694 /nfs/dbraw/zinc/46/96/94/1024469694.db2.gz VFOIVRDWSVIWTI-CYBMUJFWSA-N -1 0 337.514 3.706 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1cccc(COC(C)C)c1 ZINC000607614431 1033216032 /nfs/dbraw/zinc/21/60/32/1033216032.db2.gz LQDXUBNDEUYUSR-UHFFFAOYSA-N -1 0 325.455 3.782 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)[C@H]2CCOC3(CCCC3)C2)cc1)C(=O)[O-] ZINC000909522614 1024563701 /nfs/dbraw/zinc/56/37/01/1024563701.db2.gz ZJCSGFIBWBDJNA-HOCLYGCPSA-N -1 0 345.439 3.628 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1C ZINC000909522575 1024570788 /nfs/dbraw/zinc/57/07/88/1024570788.db2.gz YQQZEGHFBMMWGW-CYBMUJFWSA-N -1 0 339.391 3.713 20 0 EHADRM C[C@@H](CC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC000262131442 1024574143 /nfs/dbraw/zinc/57/41/43/1024574143.db2.gz KTMHBTVQNQMAJX-UGSOOPFHSA-N -1 0 341.382 3.530 20 0 EHADRM Cc1ccc2c(c1)C(=O)N(C)[C@H](c1ccc(C(=O)[O-])cc1Cl)N2 ZINC000342255483 1024582152 /nfs/dbraw/zinc/58/21/52/1024582152.db2.gz YHLRAKZRGINXER-OAHLLOKOSA-N -1 0 330.771 3.543 20 0 EHADRM C[C@H](c1ccc(Cl)cc1Cl)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000514630765 1024608637 /nfs/dbraw/zinc/60/86/37/1024608637.db2.gz MWODUKLSHPSASK-ZJUUUORDSA-N -1 0 341.242 3.758 20 0 EHADRM CC(C)c1cc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])nn1C(C)(C)C ZINC000236883861 1024646545 /nfs/dbraw/zinc/64/65/45/1024646545.db2.gz DMUCBHXTGGBQRY-AWEZNQCLSA-N -1 0 349.475 3.621 20 0 EHADRM Cc1ccc2[nH]c([N-]S(=O)(=O)c3ccc4ccccc4c3)nc2c1 ZINC000427645949 1024655610 /nfs/dbraw/zinc/65/56/10/1024655610.db2.gz GKCPUNIILQPPDN-UHFFFAOYSA-N -1 0 337.404 3.825 20 0 EHADRM Cn1cccc1[C@H]1CCCN1C(=O)c1ccc2ccc(O)cc2c1O ZINC000895605675 1024663736 /nfs/dbraw/zinc/66/37/36/1024663736.db2.gz SLVZVQUPOGISAB-GOSISDBHSA-N -1 0 336.391 3.567 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2cc(C)nn2-c2ccccc2)c1 ZINC000435190688 1024690323 /nfs/dbraw/zinc/69/03/23/1024690323.db2.gz IPBJPKQYDNHAMJ-UHFFFAOYSA-N -1 0 341.436 3.544 20 0 EHADRM CCCCOc1ncccc1CNC(=O)c1ccc([O-])c(Cl)c1 ZINC000063821734 1024718745 /nfs/dbraw/zinc/71/87/45/1024718745.db2.gz ZESYUAUJGCMCNS-UHFFFAOYSA-N -1 0 334.803 3.550 20 0 EHADRM CC(C)c1n[n-]c(=NCc2nccn2CCCc2ccccc2)s1 ZINC000343460120 1024738763 /nfs/dbraw/zinc/73/87/63/1024738763.db2.gz JXBYJVWDILNIQD-UHFFFAOYSA-N -1 0 341.484 3.525 20 0 EHADRM CCSc1ccc(C(=O)Nc2cc(COC)cc(C(=O)[O-])c2)cc1 ZINC000427716371 1024752014 /nfs/dbraw/zinc/75/20/14/1024752014.db2.gz XNECUSBTSJFPJL-UHFFFAOYSA-N -1 0 345.420 3.896 20 0 EHADRM CCSc1ccc(CC(=O)N=c2ccc(-c3ccccc3)n[n-]2)cc1 ZINC000508001411 1024820518 /nfs/dbraw/zinc/82/05/18/1024820518.db2.gz QQMQECWNHWOTOB-UHFFFAOYSA-N -1 0 349.459 3.859 20 0 EHADRM CC(C)(C)OC(=O)C(C)(C)CCNCc1c(F)ccc(O)c1F ZINC000425351663 1024834874 /nfs/dbraw/zinc/83/48/74/1024834874.db2.gz JOBYCGVDCJZTGE-UHFFFAOYSA-N -1 0 329.387 3.518 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)N[C@@H](C)c1cc2ccccc2o1)C1CC1 ZINC000684712537 1024885084 /nfs/dbraw/zinc/88/50/84/1024885084.db2.gz BHYUYGIQJAHOOI-SMDDNHRTSA-N -1 0 330.384 3.531 20 0 EHADRM C[C@H](CCCC(F)(F)F)NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000427965474 1024912103 /nfs/dbraw/zinc/91/21/03/1024912103.db2.gz MUYSUKRDPPLSOV-ZCFIWIBFSA-N -1 0 329.240 3.660 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(CC(C)(C)C)[nH]n2)c(Cl)c1 ZINC000474410805 1024915897 /nfs/dbraw/zinc/91/58/97/1024915897.db2.gz ITKKEAOJEBRJOK-UHFFFAOYSA-N -1 0 341.864 3.761 20 0 EHADRM CC(C)(C)Cc1csc(NC(=O)c2cc(=O)c3ccccc3[n-]2)n1 ZINC000346623817 1024936074 /nfs/dbraw/zinc/93/60/74/1024936074.db2.gz DTTJERGIIONPIC-UHFFFAOYSA-N -1 0 341.436 3.826 20 0 EHADRM CN(CCC(=O)[O-])C(=O)c1ccc(-c2ccc(Cl)cc2)cc1F ZINC000428064997 1024965973 /nfs/dbraw/zinc/96/59/73/1024965973.db2.gz BYBUDGPHIVQPPV-UHFFFAOYSA-N -1 0 335.762 3.693 20 0 EHADRM O=C([O-])CCCCC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000319552300 1024997464 /nfs/dbraw/zinc/99/74/64/1024997464.db2.gz JQUMJBJQBOZSND-QGZVFWFLSA-N -1 0 335.400 3.738 20 0 EHADRM O=S(=O)([N-]c1ncc(-c2ccc(F)cc2)s1)c1cccs1 ZINC000191761038 1025029185 /nfs/dbraw/zinc/02/91/85/1025029185.db2.gz CWRADELAUHCDIE-UHFFFAOYSA-N -1 0 340.426 3.812 20 0 EHADRM O=c1nc(Cc2cc(Br)cs2)[n-]c2ccsc21 ZINC000435666269 1025070791 /nfs/dbraw/zinc/07/07/91/1025070791.db2.gz VIGYNTFONQGKML-UHFFFAOYSA-N -1 0 327.228 3.812 20 0 EHADRM O=C([O-])CN(C(=O)N[C@H]1CCCc2sccc21)C1CCCCC1 ZINC000684729205 1025075709 /nfs/dbraw/zinc/07/57/09/1025075709.db2.gz PDMDCNBWRUMXRM-AWEZNQCLSA-N -1 0 336.457 3.554 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cc(C)c(OC)cc2C)s1 ZINC000435731348 1025100042 /nfs/dbraw/zinc/10/00/42/1025100042.db2.gz JONUCVNXNCIMDR-UHFFFAOYSA-N -1 0 325.455 3.737 20 0 EHADRM COc1cc(C)c(NS(=O)(=O)c2cc(F)cc(Cl)c2)cc1C ZINC000435721701 1025105668 /nfs/dbraw/zinc/10/56/68/1025105668.db2.gz JMLSCZJPILSBMI-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM CN(Cc1nc(=O)c2sccc2[n-]1)c1nc(C2CCCC2)ns1 ZINC000582055779 1025124200 /nfs/dbraw/zinc/12/42/00/1025124200.db2.gz NZSVOIMKNRPNQE-UHFFFAOYSA-N -1 0 347.469 3.542 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)Nc1ccc(OC2CCCC2)cc1)C1CC1 ZINC000684743773 1025192684 /nfs/dbraw/zinc/19/26/84/1025192684.db2.gz HSOYPLOBXGCSHJ-QGZVFWFLSA-N -1 0 346.427 3.868 20 0 EHADRM O=C(CCc1ccncn1)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000191883233 1025202758 /nfs/dbraw/zinc/20/27/58/1025202758.db2.gz WABHZVXMQCTQRQ-UHFFFAOYSA-N -1 0 346.601 3.714 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)s1 ZINC000515378388 1025208312 /nfs/dbraw/zinc/20/83/12/1025208312.db2.gz NJKIMIMDPGGBQB-QJPTWQEYSA-N -1 0 340.518 3.552 20 0 EHADRM O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(F)c(F)c1[O-] ZINC001141877061 1025216387 /nfs/dbraw/zinc/21/63/87/1025216387.db2.gz CPBYLAPDCYTXPP-UHFFFAOYSA-N -1 0 348.132 3.995 20 0 EHADRM C[C@@H](C(=O)[O-])N(C)C(=O)Nc1cccc(CSC2CCCC2)c1 ZINC000600958572 1025235655 /nfs/dbraw/zinc/23/56/55/1025235655.db2.gz IDQUPMUAJDTBRK-LBPRGKRZSA-N -1 0 336.457 3.799 20 0 EHADRM CCOc1cc(-c2noc(-c3cc(CC)on3)n2)cc(Cl)c1O ZINC000896206115 1025237613 /nfs/dbraw/zinc/23/76/13/1025237613.db2.gz YPAXBILZRLPSNL-UHFFFAOYSA-N -1 0 335.747 3.712 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)s1 ZINC000320413261 1025283002 /nfs/dbraw/zinc/28/30/02/1025283002.db2.gz FRUPAVBACWEMAO-UHFFFAOYSA-N -1 0 330.409 3.689 20 0 EHADRM COc1ccc(-c2n[n-]c(=NCc3ccc(Cl)cc3C)o2)cc1 ZINC000436030110 1025314704 /nfs/dbraw/zinc/31/47/04/1025314704.db2.gz ZIRBKNFBQPGTBP-UHFFFAOYSA-N -1 0 329.787 3.741 20 0 EHADRM O=C(C[C@H]1CCc2sccc2C1=O)Nc1cccc(Cl)c1[O-] ZINC000896317793 1025350494 /nfs/dbraw/zinc/35/04/94/1025350494.db2.gz YRWAOLXWYKXUEZ-SECBINFHSA-N -1 0 335.812 3.881 20 0 EHADRM CC(C)C[C@@H](CNC(=O)c1occc1-c1ccc(F)cc1)C(=O)[O-] ZINC000191029485 1025359700 /nfs/dbraw/zinc/35/97/00/1025359700.db2.gz IUHSQQPMNJTLAN-ZDUSSCGKSA-N -1 0 333.359 3.562 20 0 EHADRM Cc1nc2ccccc2nc1CSc1nc(C(F)F)cc(=O)[nH]1 ZINC000515559740 1025368075 /nfs/dbraw/zinc/36/80/75/1025368075.db2.gz UZWNXXSJNCYBEK-UHFFFAOYSA-N -1 0 334.351 3.664 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)N(C)Cc2ccc(F)cc2)cc1 ZINC000108066450 1025378445 /nfs/dbraw/zinc/37/84/45/1025378445.db2.gz OLNYXLFOLKXJEG-XMMPIXPASA-N -1 0 347.455 3.715 20 0 EHADRM CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000515635149 1025427173 /nfs/dbraw/zinc/42/71/73/1025427173.db2.gz JDXBCPSMJCBFBJ-UHFFFAOYSA-N -1 0 341.379 3.863 20 0 EHADRM O=C(N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)c1ccc(Cl)c([O-])c1 ZINC001167551262 1025428341 /nfs/dbraw/zinc/42/83/41/1025428341.db2.gz SXJWSCDIIUKTBE-UHOFOFEASA-N -1 0 334.202 3.767 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000521539569 1025461514 /nfs/dbraw/zinc/46/15/14/1025461514.db2.gz PNEVZBIUBNWRHL-UHFFFAOYSA-N -1 0 345.342 3.694 20 0 EHADRM Cc1csc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2C)c1 ZINC000451043946 1025464711 /nfs/dbraw/zinc/46/47/11/1025464711.db2.gz AUUUKORFIRFNTI-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM C[C@@]1(C(=O)Nc2cccc(CCC(=O)[O-])c2)CCCc2ccccc21 ZINC000262381846 1025464952 /nfs/dbraw/zinc/46/49/52/1025464952.db2.gz KPJRDPKGSKPPLT-OAQYLSRUSA-N -1 0 337.419 3.937 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2Cl)cc1 ZINC000347104607 1025530678 /nfs/dbraw/zinc/53/06/78/1025530678.db2.gz AVZCVHYJIAXJSO-STQMWFEESA-N -1 0 347.773 3.848 20 0 EHADRM CN(C(=O)Nc1ccccc1C(F)(F)F)C1(C(=O)[O-])CCCC1 ZINC000391937778 1025535950 /nfs/dbraw/zinc/53/59/50/1025535950.db2.gz XUXCNGJGKJTAMM-UHFFFAOYSA-N -1 0 330.306 3.567 20 0 EHADRM COc1cccc(Cl)c1CNC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000192641812 1025554674 /nfs/dbraw/zinc/55/46/74/1025554674.db2.gz FMFSXHOGHOOANB-UHFFFAOYSA-N -1 0 344.169 3.777 20 0 EHADRM CSCc1cccc([N-]S(=O)(=O)c2cccc3cccnc32)c1 ZINC000522474647 1025558427 /nfs/dbraw/zinc/55/84/27/1025558427.db2.gz IXYJDUMQUGPBCK-UHFFFAOYSA-N -1 0 344.461 3.899 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2scnc2C(C)C)c(C)c1C ZINC000451105238 1025569850 /nfs/dbraw/zinc/56/98/50/1025569850.db2.gz UCSDJVRDFGRDPK-UHFFFAOYSA-N -1 0 340.470 3.693 20 0 EHADRM Cc1ncc(S(=O)(=O)N[C@@H]2CCC[C@H](C(C)(C)C)CC2)s1 ZINC001211541222 1025602138 /nfs/dbraw/zinc/60/21/38/1025602138.db2.gz PQJIJDZVLSNDHD-QWHCGFSZSA-N -1 0 330.519 3.725 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000665302221 1025619492 /nfs/dbraw/zinc/61/94/92/1025619492.db2.gz OGHKHSQFOGTPJK-DOMZBBRYSA-N -1 0 344.411 3.602 20 0 EHADRM CO[C@H](C)c1nc(=NC[C@H](C)Oc2ccc(C(C)C)cc2)s[n-]1 ZINC000515889549 1025712156 /nfs/dbraw/zinc/71/21/56/1025712156.db2.gz AAQQEXHSTAUVJR-QWHCGFSZSA-N -1 0 335.473 3.670 20 0 EHADRM CC[C@H](NC(=O)NC[C@H](C(=O)[O-])C1CCC1)c1ccc(Cl)s1 ZINC000665304705 1025714231 /nfs/dbraw/zinc/71/42/31/1025714231.db2.gz GBXIXUZOTVGGOA-QWRGUYRKSA-N -1 0 344.864 3.653 20 0 EHADRM CN(CC1CCCCC1)C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000436466070 1025747805 /nfs/dbraw/zinc/74/78/05/1025747805.db2.gz NFKTXOLATHDTRQ-UHFFFAOYSA-N -1 0 347.846 3.884 20 0 EHADRM CCCC[C@H](NC(=O)CCCc1csc2ccccc12)C(=O)[O-] ZINC000347261110 1025756914 /nfs/dbraw/zinc/75/69/14/1025756914.db2.gz NHEKRFGARHPOGK-HNNXBMFYSA-N -1 0 333.453 3.984 20 0 EHADRM CCCC[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000347262035 1025759433 /nfs/dbraw/zinc/75/94/33/1025759433.db2.gz OSAIFWJSWQKXMC-NOZJJQNGSA-N -1 0 348.226 3.520 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2cccc3c2ccn(C)c3=O)c(O)c1 ZINC000436511407 1025807622 /nfs/dbraw/zinc/80/76/22/1025807622.db2.gz VWYCHMVVZLHHLL-UHFFFAOYSA-N -1 0 336.391 3.620 20 0 EHADRM CCCCO[C@H]1C[C@H](N(C)C(=O)c2cc(F)c([O-])c(F)c2)C1(C)C ZINC000436521739 1025821393 /nfs/dbraw/zinc/82/13/93/1025821393.db2.gz HAAUMPYDMWMNTN-GJZGRUSLSA-N -1 0 341.398 3.726 20 0 EHADRM O=C(c1cc2ccccc2cc1O)N1CCC(Oc2ccccn2)CC1 ZINC000436535424 1025845867 /nfs/dbraw/zinc/84/58/67/1025845867.db2.gz KLQMHXDENWAFBB-UHFFFAOYSA-N -1 0 348.402 3.624 20 0 EHADRM O=C(N[C@@H]1CCc2c1cccc2O)c1c([O-])cc(Cl)cc1Cl ZINC000436547539 1025852842 /nfs/dbraw/zinc/85/28/42/1025852842.db2.gz RBCZIEDWFKQUNY-GFCCVEGCSA-N -1 0 338.190 3.822 20 0 EHADRM Cc1nn(C)cc1[C@@H](C)NC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436572235 1025906037 /nfs/dbraw/zinc/90/60/37/1025906037.db2.gz YNLJGNDUINQSKI-SNVBAGLBSA-N -1 0 343.814 3.732 20 0 EHADRM CC(C)Cc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000127375835 1025907181 /nfs/dbraw/zinc/90/71/81/1025907181.db2.gz VACMNZYACFAYNU-GOSISDBHSA-N -1 0 326.440 3.656 20 0 EHADRM COc1ccccc1SC[C@H](C)CNC(=O)c1ccc(C)cc1O ZINC000436595622 1025914754 /nfs/dbraw/zinc/91/47/54/1025914754.db2.gz MKCXSBAGDFTAAA-CQSZACIVSA-N -1 0 345.464 3.867 20 0 EHADRM CC[C@@H]1CO[C@H](C)CN1C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436580153 1025921185 /nfs/dbraw/zinc/92/11/85/1025921185.db2.gz AJFQKHXLDJMRJM-VXGBXAGGSA-N -1 0 333.815 3.838 20 0 EHADRM C[C@H](Cc1ccc(O)cc1)NC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000436603245 1025935814 /nfs/dbraw/zinc/93/58/14/1025935814.db2.gz LTBOWMHOXDBPKK-SECBINFHSA-N -1 0 340.206 3.766 20 0 EHADRM CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000436611980 1025943722 /nfs/dbraw/zinc/94/37/22/1025943722.db2.gz WYKLQTLSIFVRHQ-UHFFFAOYSA-N -1 0 345.829 3.501 20 0 EHADRM CCO[C@H]1C[C@H](NC(=O)c2cc(F)c([O-])c(F)c2)C12CCCCC2 ZINC000436638513 1025968737 /nfs/dbraw/zinc/96/87/37/1025968737.db2.gz IOHJQZYNJXAYNS-GJZGRUSLSA-N -1 0 339.382 3.528 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H](C)c2cccc(OC)c2)c1 ZINC000436651310 1025978759 /nfs/dbraw/zinc/97/87/59/1025978759.db2.gz DRYODVANASYEPR-GFCCVEGCSA-N -1 0 327.380 3.736 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2c(F)ccc(F)c2OC)c1 ZINC000436652137 1025980182 /nfs/dbraw/zinc/98/01/82/1025980182.db2.gz KFZMTZHADABKMT-UHFFFAOYSA-N -1 0 335.306 3.524 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2c[nH]nc2-c2ccccc2)c1 ZINC000436643745 1025992206 /nfs/dbraw/zinc/99/22/06/1025992206.db2.gz GACKCHPXUVKXKE-UHFFFAOYSA-N -1 0 335.363 3.627 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CCc2cccc(F)c2F)c1 ZINC000436648309 1025999493 /nfs/dbraw/zinc/99/94/93/1025999493.db2.gz SVZYGNJUQWQHST-UHFFFAOYSA-N -1 0 333.334 3.834 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CSc2ccccc2OC)c1 ZINC000436659104 1026017122 /nfs/dbraw/zinc/01/71/22/1026017122.db2.gz PYKXIFYDPCEAEW-UHFFFAOYSA-N -1 0 345.420 3.724 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)N1CCCC[C@H]1c1ccc(F)cc1)C1CCC1 ZINC000665324307 1026019619 /nfs/dbraw/zinc/01/96/19/1026019619.db2.gz PHOUWNAFXSIWPZ-IRXDYDNUSA-N -1 0 348.418 3.563 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CCCCC(=O)c2ccccc2)c1 ZINC000436679139 1026029333 /nfs/dbraw/zinc/02/93/33/1026029333.db2.gz IZYCCLSYZCVBRK-UHFFFAOYSA-N -1 0 339.391 3.977 20 0 EHADRM COc1cc2c(cc1F)CC[C@H]2NC(=O)c1ccc([O-])c(Cl)c1 ZINC000436690190 1026047155 /nfs/dbraw/zinc/04/71/55/1026047155.db2.gz YNYNWQLCOZZEPQ-CQSZACIVSA-N -1 0 335.762 3.611 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)NC[C@H](C(=O)[O-])C2CCC2)c(C)c1 ZINC000665328224 1026053351 /nfs/dbraw/zinc/05/33/51/1026053351.db2.gz GCTYKDBSPJGLEB-YOEHRIQHSA-N -1 0 332.444 3.507 20 0 EHADRM CC[C@@H](C)CS(=O)(=O)[N-][C@@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000443451299 1026056327 /nfs/dbraw/zinc/05/63/27/1026056327.db2.gz GWTHSKBGUTUDDS-YGRLFVJLSA-N -1 0 348.390 3.737 20 0 EHADRM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000665329545 1026067270 /nfs/dbraw/zinc/06/72/70/1026067270.db2.gz JYRLVWAEUWBEHJ-WFASDCNBSA-N -1 0 344.411 3.636 20 0 EHADRM CC[C@@]1(C)COCCN1C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436710347 1026078131 /nfs/dbraw/zinc/07/81/31/1026078131.db2.gz SKVKCZXITXKDIL-SFHVURJKSA-N -1 0 333.815 3.840 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCC[C@@H]1[C@H]1CCCO1 ZINC000436715976 1026084151 /nfs/dbraw/zinc/08/41/51/1026084151.db2.gz RFCDCJUCBSANNW-IAGOWNOFSA-N -1 0 345.826 3.982 20 0 EHADRM C[C@H](CN(C(=O)c1ccc([O-])c(Cl)c1)[C@@H](C)CO)c1ccccc1 ZINC000436737103 1026102274 /nfs/dbraw/zinc/10/22/74/1026102274.db2.gz KTPAZIWVCGYUQB-KGLIPLIRSA-N -1 0 347.842 3.672 20 0 EHADRM O=C(NC[C@@H]1SCCc2ccccc21)c1ccc([O-])c(Cl)c1 ZINC000436729090 1026117267 /nfs/dbraw/zinc/11/72/67/1026117267.db2.gz FGICIHGNQVFVCD-INIZCTEOSA-N -1 0 333.840 3.806 20 0 EHADRM CCOc1ccc(NC(=O)c2cc(F)cc(Cl)c2[O-])cc1OC ZINC000436775162 1026149887 /nfs/dbraw/zinc/14/98/87/1026149887.db2.gz YUGYMTOVFXIBHE-UHFFFAOYSA-N -1 0 339.750 3.844 20 0 EHADRM O=C(NCc1cc(F)ccc1F)c1ccc(C(F)(F)F)c(O)c1 ZINC000684874652 1026276033 /nfs/dbraw/zinc/27/60/33/1026276033.db2.gz YHNQQPBBJWOPIG-UHFFFAOYSA-N -1 0 331.240 3.619 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)OCCc2ccccc2)c1 ZINC000451883152 1026350718 /nfs/dbraw/zinc/35/07/18/1026350718.db2.gz DWJWVUBOVGKYDY-CQSZACIVSA-N -1 0 341.407 3.571 20 0 EHADRM C[C@H]1c2ccccc2CCN1C(=O)c1cccc(Br)c1[O-] ZINC000530886319 1026393353 /nfs/dbraw/zinc/39/33/53/1026393353.db2.gz HHGQXXNMXSJPRV-NSHDSACASA-N -1 0 346.224 3.914 20 0 EHADRM C[C@H](NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)c1ccc(Cl)cc1 ZINC000324914008 1026486474 /nfs/dbraw/zinc/48/64/74/1026486474.db2.gz XZYPRUGVZKUNGQ-ORAYPTAESA-N -1 0 345.826 3.950 20 0 EHADRM CCC1(CC)CN(C(=O)c2cc(F)cc(Br)c2[O-])C1 ZINC000452153312 1026503561 /nfs/dbraw/zinc/50/35/61/1026503561.db2.gz RAVJLQRIEWZXAB-UHFFFAOYSA-N -1 0 330.197 3.556 20 0 EHADRM CCC[C@](C)(NC(=O)c1ccc(OC2CCC2)cc1Cl)C(=O)[O-] ZINC000431444692 1026560962 /nfs/dbraw/zinc/56/09/62/1026560962.db2.gz JRZFRUVJQIJSRL-KRWDZBQOSA-N -1 0 339.819 3.645 20 0 EHADRM Cc1nnc(CSc2nc(-c3ccccc3)c(C)c(=O)[nH]2)s1 ZINC000342652709 1026587052 /nfs/dbraw/zinc/58/70/52/1026587052.db2.gz BSGOBXVODSNPSU-UHFFFAOYSA-N -1 0 330.438 3.610 20 0 EHADRM O=S(=O)(Nc1cc(C(F)F)ccc1Cl)c1cncc(F)c1 ZINC000342650986 1026588432 /nfs/dbraw/zinc/58/84/32/1026588432.db2.gz XHGLTMOIZWJSKG-UHFFFAOYSA-N -1 0 336.722 3.613 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2noc3cc(Cl)ccc32)s1 ZINC000342658480 1026614214 /nfs/dbraw/zinc/61/42/14/1026614214.db2.gz MCIXXCNCFCFKPC-UHFFFAOYSA-N -1 0 328.802 3.652 20 0 EHADRM CCO[C@H](CC(=O)Nc1c(O)ccc(Br)c1C)C(C)C ZINC000452761529 1026989174 /nfs/dbraw/zinc/98/91/74/1026989174.db2.gz XFZUTIGDRZQGHS-CYBMUJFWSA-N -1 0 344.249 3.853 20 0 EHADRM CCOc1cc(-c2noc(-c3ccn(C(C)C)n3)n2)cc(Cl)c1O ZINC000277811075 1027010528 /nfs/dbraw/zinc/01/05/28/1027010528.db2.gz CJZUZEVLORYKEO-UHFFFAOYSA-N -1 0 348.790 3.939 20 0 EHADRM O=C(Nc1nc(-c2ccccc2)cs1)c1cc(=O)c2ccccc2[n-]1 ZINC000342788871 1027060304 /nfs/dbraw/zinc/06/03/04/1027060304.db2.gz YFXAOXAFSGASNC-UHFFFAOYSA-N -1 0 347.399 3.904 20 0 EHADRM Cc1cnc(CN=c2[n-]nc(C(C)(C)c3ccccc3)s2)s1 ZINC000453046694 1027259394 /nfs/dbraw/zinc/25/93/94/1027259394.db2.gz NCMWIFVQNQUINR-UHFFFAOYSA-N -1 0 330.482 3.663 20 0 EHADRM [O-]c1c(-c2nc(C[C@H]3CCCO3)no2)cc(Cl)c2ccccc12 ZINC000273415170 1027417061 /nfs/dbraw/zinc/41/70/61/1027417061.db2.gz NPTIJYQJSFIFKY-SNVBAGLBSA-N -1 0 330.771 3.970 20 0 EHADRM COc1ccccc1-c1n[n-]c(=NCc2cc(F)cc(Cl)c2)o1 ZINC000428354697 1027436032 /nfs/dbraw/zinc/43/60/32/1027436032.db2.gz ZHYSZMFJYQYYBT-UHFFFAOYSA-N -1 0 333.750 3.572 20 0 EHADRM CCCCOc1ccc([N-]S(=O)(=O)c2cncc(F)c2)c(C)c1 ZINC000501799030 1027545142 /nfs/dbraw/zinc/54/51/42/1027545142.db2.gz OEYKKSFKBAEUDX-UHFFFAOYSA-N -1 0 338.404 3.509 20 0 EHADRM C[C@@H](N=c1nc(C2CCCC2)[n-]s1)[C@@H]1OCCc2sccc21 ZINC000420637831 1027673698 /nfs/dbraw/zinc/67/36/98/1027673698.db2.gz ODWGRZAXSULQCT-YGRLFVJLSA-N -1 0 335.498 3.794 20 0 EHADRM O=C([N-]Cc1cc(F)cc(N[C@H]2C[C@@H]3CC[C@@H](C3)C2)c1)C(F)(F)F ZINC000711089202 1027713111 /nfs/dbraw/zinc/71/31/11/1027713111.db2.gz FYCOQSFZPCVTSV-YABSGUDNSA-N -1 0 344.352 3.995 20 0 EHADRM C[C@@]1(C(=O)Nc2cccc(CCC(=O)[O-])c2)CCc2ccccc2C1 ZINC000262535456 1027773222 /nfs/dbraw/zinc/77/32/22/1027773222.db2.gz QHANTKLWHPBELR-OAQYLSRUSA-N -1 0 337.419 3.838 20 0 EHADRM O=C([O-])CN(CCc1ccccc1)C(=O)Nc1cccc(Cl)c1 ZINC000582822527 1027861695 /nfs/dbraw/zinc/86/16/95/1027861695.db2.gz LFERGIPVDIXYLB-UHFFFAOYSA-N -1 0 332.787 3.501 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)Nc1ccc2oc(C(C)C)nc2c1)C1CC1 ZINC000582823463 1027863422 /nfs/dbraw/zinc/86/34/22/1027863422.db2.gz FVXNWNFFCYELRK-AWEZNQCLSA-N -1 0 345.399 3.811 20 0 EHADRM CCc1oc(C(=O)Nc2ccc(Br)cc2)cc1C(=O)[O-] ZINC000339027165 1027882784 /nfs/dbraw/zinc/88/27/84/1027882784.db2.gz BAVDLZNTHSLGNO-UHFFFAOYSA-N -1 0 338.157 3.555 20 0 EHADRM O=C(Nc1nc(C2CCC2)cs1)c1cc(=O)c2ccccc2[n-]1 ZINC000444521893 1028006206 /nfs/dbraw/zinc/00/62/06/1028006206.db2.gz BTLIASJPTCAEEW-UHFFFAOYSA-N -1 0 325.393 3.504 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2csc3ccccc32)nn1C(C)C ZINC000421180192 1028158302 /nfs/dbraw/zinc/15/83/02/1028158302.db2.gz FDTKGJXWVBRQNO-UHFFFAOYSA-N -1 0 335.454 3.788 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)c2ccccc2Nc2ccccc2)C1 ZINC000532693505 1028175745 /nfs/dbraw/zinc/17/57/45/1028175745.db2.gz TUMKRIKYOVKPLD-OAHLLOKOSA-N -1 0 338.407 3.757 20 0 EHADRM Cc1ccc(F)c(-c2cc(=NC(=O)[C@H](C)c3ccsc3)[nH][nH]2)c1 ZINC000444814174 1028316547 /nfs/dbraw/zinc/31/65/47/1028316547.db2.gz SDFOCKLGLJVSFO-LLVKDONJSA-N -1 0 329.400 3.750 20 0 EHADRM CCC1(CC)CN(C(=O)c2nn(-c3cccc(C(C)C)c3)cc2[O-])C1 ZINC000504078557 1028390116 /nfs/dbraw/zinc/39/01/16/1028390116.db2.gz RRLXYOLIENLCMI-UHFFFAOYSA-N -1 0 341.455 3.964 20 0 EHADRM Cn1c2ccc(Cl)cc2nc1-c1ccc(OCCC(=O)[O-])cc1 ZINC000048879533 1028435610 /nfs/dbraw/zinc/43/56/10/1028435610.db2.gz UYKVWNMRLAULIE-UHFFFAOYSA-N -1 0 330.771 3.747 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2C[C@H](c3ccccc3)C(C)(C)C2)s1 ZINC000434219258 1028446568 /nfs/dbraw/zinc/44/65/68/1028446568.db2.gz CREZAJLFGJGRED-CQSZACIVSA-N -1 0 344.484 3.570 20 0 EHADRM O=C(Nc1ccc(SCc2cccnc2)cc1)c1ncccc1[O-] ZINC000194650839 1028529507 /nfs/dbraw/zinc/52/95/07/1028529507.db2.gz USTUIDPEXKRVJN-UHFFFAOYSA-N -1 0 337.404 3.727 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000236838452 1028590197 /nfs/dbraw/zinc/59/01/97/1028590197.db2.gz JROQXSIJNLMDFT-NEPJUHHUSA-N -1 0 343.345 3.569 20 0 EHADRM CC[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)c1ccccc1OC(F)F ZINC000236966071 1028604297 /nfs/dbraw/zinc/60/42/97/1028604297.db2.gz HMPQOBSCVOGZSX-CQSZACIVSA-N -1 0 349.333 3.867 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000236965007 1028605561 /nfs/dbraw/zinc/60/55/61/1028605561.db2.gz URGOCFOZUVYJEF-AGSIJNCFSA-N -1 0 344.238 3.712 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1ccoc1Br ZINC000445217954 1028632610 /nfs/dbraw/zinc/63/26/10/1028632610.db2.gz VGRHEOJMPIVWCW-UHFFFAOYSA-N -1 0 334.528 3.793 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cccc3cccnc32)c(Cl)c1 ZINC000074936147 1028638275 /nfs/dbraw/zinc/63/82/75/1028638275.db2.gz KIEYPRFABJCKOW-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(C(=O)[O-])s1 ZINC000237113704 1028642302 /nfs/dbraw/zinc/64/23/02/1028642302.db2.gz LMVXGZSKPUQFBH-UHFFFAOYSA-N -1 0 343.326 3.737 20 0 EHADRM CCCC[C@@H](NC(=O)CC(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000075240443 1028643511 /nfs/dbraw/zinc/64/35/11/1028643511.db2.gz YNTUKQUJMORUJM-LJQANCHMSA-N -1 0 339.435 3.968 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000075240452 1028644681 /nfs/dbraw/zinc/64/46/81/1028644681.db2.gz HBTFMMIWCHITRG-QRWLVFNGSA-N -1 0 339.435 3.824 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)[C@@H](C)Sc1ccccc1 ZINC000237363930 1028646285 /nfs/dbraw/zinc/64/62/85/1028646285.db2.gz PLBUSGWXSYVJGI-RHSMWYFYSA-N -1 0 343.448 3.808 20 0 EHADRM Cc1ccc(NC(=O)CCCOc2ccccc2F)cc1C(=O)[O-] ZINC000237601811 1028656216 /nfs/dbraw/zinc/65/62/16/1028656216.db2.gz TYPGZCFWYIZOLL-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1csc2ccccc12)Cc1ccccc1 ZINC000238192513 1028680956 /nfs/dbraw/zinc/68/09/56/1028680956.db2.gz CTHFMFGDZOYYEJ-CQSZACIVSA-N -1 0 339.416 3.575 20 0 EHADRM Cc1ccc(Cc2n[n-]c(=NC(=O)N(C)[C@H]3CC[C@H](C)C3)s2)cc1 ZINC000429736129 1028733076 /nfs/dbraw/zinc/73/30/76/1028733076.db2.gz GXNBEDMWFLDPAA-ZFWWWQNUSA-N -1 0 344.484 3.512 20 0 EHADRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2c(F)cc(C)cc2F)c1C ZINC000424069747 1028772806 /nfs/dbraw/zinc/77/28/06/1028772806.db2.gz QOMFYAQSZGBYOK-JTQLQIEISA-N -1 0 343.399 3.550 20 0 EHADRM CCOc1cc(-c2noc(-c3ccc(Cl)cc3[O-])n2)ccc1O ZINC000445429073 1028773244 /nfs/dbraw/zinc/77/32/44/1028773244.db2.gz YCEMZMPADQRYPO-UHFFFAOYSA-N -1 0 332.743 3.867 20 0 EHADRM Cc1c(Cl)c(CNc2ccc(S[C@@H](C)C(=O)[O-])cc2)nn1C ZINC000421816322 1028834540 /nfs/dbraw/zinc/83/45/40/1028834540.db2.gz PKJCCLPKCYQZLS-JTQLQIEISA-N -1 0 339.848 3.559 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000424226106 1028898154 /nfs/dbraw/zinc/89/81/54/1028898154.db2.gz NXNAESLBKIPUHD-OAHLLOKOSA-N -1 0 325.408 3.830 20 0 EHADRM COc1ccc(-c2nc(CN3CCC[C@H](C)[C@H]3C(=O)[O-])cs2)cc1 ZINC000424271150 1028944277 /nfs/dbraw/zinc/94/42/77/1028944277.db2.gz ORLZSMNCBPGWFG-LRDDRELGSA-N -1 0 346.452 3.504 20 0 EHADRM CC(C)[C@H]1N(C(=O)N=c2[n-]nc(-c3ccco3)s2)CC12CCCC2 ZINC000454515426 1029000229 /nfs/dbraw/zinc/00/02/29/1029000229.db2.gz KJNDXIJDLFSDCK-CYBMUJFWSA-N -1 0 346.456 3.653 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)NCc2ccc(Cl)s2)s1 ZINC000503042210 1029005579 /nfs/dbraw/zinc/00/55/79/1029005579.db2.gz CXBXZMJSTNSMSO-UHFFFAOYSA-N -1 0 344.893 3.729 20 0 EHADRM C[C@@H]1CCC[C@H](N(C)C(=O)N=c2[n-]nc(-c3ccsc3)s2)C1 ZINC000503057600 1029013652 /nfs/dbraw/zinc/01/36/52/1029013652.db2.gz YFDNQUNOCXQDIJ-PWSUYJOCSA-N -1 0 336.486 3.731 20 0 EHADRM CC(C)C[C@](C)(CC(=O)[O-])C(=O)N(C)Cc1nc2ccccc2s1 ZINC000634854424 1029023286 /nfs/dbraw/zinc/02/32/86/1029023286.db2.gz ATQOHBQHAAMMLD-GOSISDBHSA-N -1 0 348.468 3.782 20 0 EHADRM C[C@H](NC(=O)NCCC(C)(C)C(=O)[O-])c1cc(Cl)ccc1Cl ZINC000424392806 1029027926 /nfs/dbraw/zinc/02/79/26/1029027926.db2.gz KIWILBJVEGDYQK-VIFPVBQESA-N -1 0 347.242 3.855 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)N2CC3(CCC3)[C@H]2c2ccco2)s1 ZINC000454553413 1029034090 /nfs/dbraw/zinc/03/40/90/1029034090.db2.gz WYXUVNJCUBLMPK-GFCCVEGCSA-N -1 0 346.456 3.610 20 0 EHADRM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)Nc1ccc(Cl)cc1Cl ZINC000319621742 1029054488 /nfs/dbraw/zinc/05/44/88/1029054488.db2.gz FLEIAIVNYITTBX-DVYJOKAKSA-N -1 0 343.210 3.710 20 0 EHADRM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)Nc1ccc(Cl)cc1Cl ZINC000319621744 1029054608 /nfs/dbraw/zinc/05/46/08/1029054608.db2.gz FLEIAIVNYITTBX-FWDPORAESA-N -1 0 343.210 3.710 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)CCCc2c[nH]c3ccccc23)s[n-]1 ZINC000524321010 1029082359 /nfs/dbraw/zinc/08/23/59/1029082359.db2.gz IXAJJGDHTYENKS-UHFFFAOYSA-N -1 0 342.468 3.700 20 0 EHADRM Cc1sc(C(=O)N=c2cc(C)c(C)n[n-]2)cc1-c1ccc(F)cc1 ZINC000445806154 1029142468 /nfs/dbraw/zinc/14/24/68/1029142468.db2.gz SHDYRIUTASBTTB-UHFFFAOYSA-N -1 0 341.411 3.944 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C2(C3CC3)CCC2)C[C@H]1c1ccc(Cl)cc1 ZINC000909628944 1029169009 /nfs/dbraw/zinc/16/90/09/1029169009.db2.gz BXFJCKXQAKCFEE-JKSUJKDBSA-N -1 0 347.842 3.547 20 0 EHADRM C[C@@]1(NC(=O)c2csc(-c3ccccc3)n2)CCCC[C@H]1C(=O)[O-] ZINC000432134121 1029197874 /nfs/dbraw/zinc/19/78/74/1029197874.db2.gz SBQIVXRWLYMHIV-SCLBCKFNSA-N -1 0 344.436 3.573 20 0 EHADRM CCCc1nc(C)c(C(=O)NCCCCCCCC(=O)[O-])s1 ZINC000271935994 1029235135 /nfs/dbraw/zinc/23/51/35/1029235135.db2.gz CEQJTTCZCMDRHA-UHFFFAOYSA-N -1 0 326.462 3.559 20 0 EHADRM COc1ccc([C@H](C)CC(=O)NCCCCCCCC(=O)[O-])cc1 ZINC000271942384 1029239807 /nfs/dbraw/zinc/23/98/07/1029239807.db2.gz GJDJDAPMWOGSEF-OAHLLOKOSA-N -1 0 335.444 3.730 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)CCCc1ccc(F)c(F)c1 ZINC000271969074 1029250642 /nfs/dbraw/zinc/25/06/42/1029250642.db2.gz QHKHVQPCESTRIG-UHFFFAOYSA-N -1 0 341.398 3.829 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(C(=O)N(C)[C@@H](C)CC(=O)[O-])cc1F ZINC000583214311 1029275993 /nfs/dbraw/zinc/27/59/93/1029275993.db2.gz DNDSYPUKLAFDCH-LBPRGKRZSA-N -1 0 347.361 3.875 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCC[C@@H](C)C3)n2)c1 ZINC000154869359 1029341752 /nfs/dbraw/zinc/34/17/52/1029341752.db2.gz KZZWFFQHPXPWRQ-CQSZACIVSA-N -1 0 327.428 3.573 20 0 EHADRM Cc1cnc([C@@H](NC(=O)c2c(C)ccc(C)c2C(=O)[O-])C2CC2)s1 ZINC000634889725 1029402645 /nfs/dbraw/zinc/40/26/45/1029402645.db2.gz JUDGVDXJTZJKDI-HNNXBMFYSA-N -1 0 344.436 3.648 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000272314405 1029411897 /nfs/dbraw/zinc/41/18/97/1029411897.db2.gz ZVGLWGBFOIOKBJ-VXGBXAGGSA-N -1 0 329.318 3.902 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000533197155 1029440989 /nfs/dbraw/zinc/44/09/89/1029440989.db2.gz KWUUUTHRFIOQII-JKSUJKDBSA-N -1 0 347.455 3.599 20 0 EHADRM CCc1oc(C(=O)N2C[C@@H](c3ccccc3C)C[C@H]2C)cc1C(=O)[O-] ZINC000261642144 1029466716 /nfs/dbraw/zinc/46/67/16/1029466716.db2.gz LBLZYZKLPSLSIG-KGLIPLIRSA-N -1 0 341.407 3.867 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(Br)c(F)cc2[O-])C(C)(C)C1 ZINC000450073997 1029468804 /nfs/dbraw/zinc/46/88/04/1029468804.db2.gz LXHHUUIVTWTAIU-MRVPVSSYSA-N -1 0 330.197 3.554 20 0 EHADRM CCCN(C(=O)[C@H](C)O[C@H](C)C(=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000634896469 1029471948 /nfs/dbraw/zinc/47/19/48/1029471948.db2.gz ITAGMACUIWFZHT-MELADBBJSA-N -1 0 347.411 3.611 20 0 EHADRM CCc1oc(C(=O)NCC(C)(C)Cc2ccccc2)cc1C(=O)[O-] ZINC000261697653 1029483896 /nfs/dbraw/zinc/48/38/96/1029483896.db2.gz SOMUAAXIDGHNDB-UHFFFAOYSA-N -1 0 329.396 3.539 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(CC(C)C)CC(C)C)n1 ZINC000434257845 1029536881 /nfs/dbraw/zinc/53/68/81/1029536881.db2.gz CVTVASTYBYKIJG-UHFFFAOYSA-N -1 0 347.434 3.780 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000272671660 1029558535 /nfs/dbraw/zinc/55/85/35/1029558535.db2.gz KRHPZDQTFWJPDB-NWDGAFQWSA-N -1 0 329.318 3.902 20 0 EHADRM CC(C)[C@H]1CCCCN1C(=O)N=c1[n-]nc(/C=C\c2ccco2)s1 ZINC000446339685 1029595846 /nfs/dbraw/zinc/59/58/46/1029595846.db2.gz GFRXEOUEPRUIGM-QIAWRQBBSA-N -1 0 346.456 3.766 20 0 EHADRM C[C@H](CC(=O)N([C@H](C)C(=O)[O-])C1CC1)c1ccccc1C(F)(F)F ZINC000262578213 1029606972 /nfs/dbraw/zinc/60/69/72/1029606972.db2.gz DZPJJROIFIKHMM-GHMZBOCLSA-N -1 0 343.345 3.663 20 0 EHADRM C[C@@H](O)C[C@@H](CN=c1nc(C2CCCC2)[n-]s1)c1ccccc1 ZINC000420604737 1029618414 /nfs/dbraw/zinc/61/84/14/1029618414.db2.gz SWWLDORXPKWSOS-CJNGLKHVSA-N -1 0 331.485 3.584 20 0 EHADRM C/C=C/C[C@H](NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000262687902 1029623305 /nfs/dbraw/zinc/62/33/05/1029623305.db2.gz BHHRGJPQLGNPIX-CESFYWBNSA-N -1 0 343.345 3.735 20 0 EHADRM Cc1cc2occ(CC(=O)N[C@](C)(CC(=O)[O-])C(C)C)c2cc1C ZINC000262882413 1029647638 /nfs/dbraw/zinc/64/76/38/1029647638.db2.gz GXDHJZASRVTVSL-LJQANCHMSA-N -1 0 331.412 3.598 20 0 EHADRM CC[C@H](CC(=O)N1CC[C@@](C(=O)[O-])(C(C)C)C1)c1ccc(C)cc1 ZINC000262943262 1029651306 /nfs/dbraw/zinc/65/13/06/1029651306.db2.gz KVMOZIDBZIWUGQ-UZLBHIALSA-N -1 0 331.456 3.838 20 0 EHADRM Cc1c2cccc(Cl)c2oc1C(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000263046968 1029661148 /nfs/dbraw/zinc/66/11/48/1029661148.db2.gz RUJDISGTBBAFFX-ZKYQVNSYSA-N -1 0 347.798 3.720 20 0 EHADRM CC[C@@H](C)n1nc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)cc1C ZINC000263081753 1029664622 /nfs/dbraw/zinc/66/46/22/1029664622.db2.gz RFWHZIMGLGEBDH-GFCCVEGCSA-N -1 0 344.415 3.824 20 0 EHADRM CCCOc1cccc(C(=O)Nc2cc(COC)cc(C(=O)[O-])c2)c1 ZINC000263123723 1029669214 /nfs/dbraw/zinc/66/92/14/1029669214.db2.gz RQTBRGIATTZFAY-UHFFFAOYSA-N -1 0 343.379 3.572 20 0 EHADRM CCC[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000263173784 1029671192 /nfs/dbraw/zinc/67/11/92/1029671192.db2.gz KXDICNHCXKYYKH-ADEWGFFLSA-N -1 0 344.238 3.714 20 0 EHADRM CC[C@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)CC[C@H]1c1ccccc1 ZINC000263174613 1029671460 /nfs/dbraw/zinc/67/14/60/1029671460.db2.gz GKJWBJBMKNKKHN-XOYOTBSWSA-N -1 0 329.440 3.530 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@H](c2ccccc2)C2CC2)cc1F ZINC000263243432 1029678152 /nfs/dbraw/zinc/67/81/52/1029678152.db2.gz RVXZILTUYZKPAW-GOSISDBHSA-N -1 0 327.355 3.585 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)C2(Cc3ccccc3)CCC2)cc1F ZINC000263239030 1029678795 /nfs/dbraw/zinc/67/87/95/1029678795.db2.gz RJXVMLMOOZDNHM-UHFFFAOYSA-N -1 0 341.382 3.804 20 0 EHADRM C/C=C/C[C@H](NC(=O)[C@H](CC)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000263283606 1029683499 /nfs/dbraw/zinc/68/34/99/1029683499.db2.gz PBTIHNLQABIWBI-JRFBKZHLSA-N -1 0 343.345 3.735 20 0 EHADRM CCc1ccc(C(C)(C)C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000263285009 1029683570 /nfs/dbraw/zinc/68/35/70/1029683570.db2.gz PGIAPRDFXMCJPZ-GOSISDBHSA-N -1 0 339.435 3.511 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)NCc1ccc(C(=O)[O-])s1 ZINC000263297565 1029684764 /nfs/dbraw/zinc/68/47/64/1029684764.db2.gz ZRYWZNGGHRBJMX-GFCCVEGCSA-N -1 0 347.436 3.655 20 0 EHADRM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000263292312 1029684791 /nfs/dbraw/zinc/68/47/91/1029684791.db2.gz MJWFPLPYFCQMPS-WDEREUQCSA-N -1 0 330.384 3.612 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)c1 ZINC000263324373 1029688960 /nfs/dbraw/zinc/68/89/60/1029688960.db2.gz OGRMBIQFSJDCOK-MZPVMMEZSA-N -1 0 327.355 3.756 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)c1 ZINC000263324372 1029689183 /nfs/dbraw/zinc/68/91/83/1029689183.db2.gz OGRMBIQFSJDCOK-JECHBYEQSA-N -1 0 327.355 3.756 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N[C@H](c2ccc(F)cc2)C2CCC2)cc1 ZINC000263356635 1029689980 /nfs/dbraw/zinc/68/99/80/1029689980.db2.gz RZAZFIWKQQAMHZ-IBGZPJMESA-N -1 0 341.382 3.724 20 0 EHADRM C[C@H](NC(=O)C1(Cc2cccc(Cl)c2)CCCC1)[C@H](C)C(=O)[O-] ZINC000263410284 1029694380 /nfs/dbraw/zinc/69/43/80/1029694380.db2.gz GVCMDJKAKZBLHK-STQMWFEESA-N -1 0 337.847 3.668 20 0 EHADRM CCc1cccc(CC)c1NC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000263483374 1029702778 /nfs/dbraw/zinc/70/27/78/1029702778.db2.gz LQLMATWHHYEPOC-HNAYVOBHSA-N -1 0 330.428 3.530 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)cc1 ZINC000263512466 1029706266 /nfs/dbraw/zinc/70/62/66/1029706266.db2.gz CTMKGHRRIOHXSP-XUVXKRRUSA-N -1 0 349.430 3.722 20 0 EHADRM C/C=C/C[C@@H](NC(=O)CCCc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000263527485 1029709173 /nfs/dbraw/zinc/70/91/73/1029709173.db2.gz KRLJCBZWCNMEID-BAABZTOOSA-N -1 0 343.345 3.564 20 0 EHADRM Cc1cc(-c2cccc(F)c2)nnc1NC1CCC(C(=O)[O-])CC1 ZINC000263562344 1029712365 /nfs/dbraw/zinc/71/23/65/1029712365.db2.gz SOXDKVXUFTZVSN-UHFFFAOYSA-N -1 0 329.375 3.646 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)c2ccc(C)c(C)c2)s[n-]1 ZINC000472285818 1029794325 /nfs/dbraw/zinc/79/43/25/1029794325.db2.gz KPDOAMABPFTJEM-UHFFFAOYSA-N -1 0 329.450 3.866 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-]c2nc(C(C)(C)C)cs2)c(F)c1 ZINC000446827592 1029811519 /nfs/dbraw/zinc/81/15/19/1029811519.db2.gz VISNIQGWNSMHHP-UHFFFAOYSA-N -1 0 342.461 3.830 20 0 EHADRM O=S(=O)([N-]c1ccccc1OCC1CC1)c1ccc2c(c1)CCC2 ZINC000525369146 1029816160 /nfs/dbraw/zinc/81/61/60/1029816160.db2.gz OHODJFSXSRNMSP-UHFFFAOYSA-N -1 0 343.448 3.765 20 0 EHADRM Cc1csc([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)n1 ZINC000615127276 1029859757 /nfs/dbraw/zinc/85/97/57/1029859757.db2.gz NKKSUMUSIJERLI-UHFFFAOYSA-N -1 0 337.253 3.868 20 0 EHADRM Cc1ccc(CN=c2[n-]nc(Cc3cccc(F)c3)o2)cc1Cl ZINC000446958915 1029865155 /nfs/dbraw/zinc/86/51/55/1029865155.db2.gz RYBZDVDZOGLNGZ-UHFFFAOYSA-N -1 0 331.778 3.795 20 0 EHADRM COCc1n[n-]c(=NCc2ccc(Sc3ccccc3)cc2)s1 ZINC000446984015 1029872874 /nfs/dbraw/zinc/87/28/74/1029872874.db2.gz BRQUXAKZBLMBHN-UHFFFAOYSA-N -1 0 343.477 3.870 20 0 EHADRM CCC(CC)c1n[n-]c(=NCc2cnc(C(F)(F)F)s2)s1 ZINC000446968337 1029875576 /nfs/dbraw/zinc/87/55/76/1029875576.db2.gz XMLCRCPMJXCTCR-UHFFFAOYSA-N -1 0 336.408 3.951 20 0 EHADRM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2sccc2C)c1 ZINC000525533055 1029889258 /nfs/dbraw/zinc/88/92/58/1029889258.db2.gz OZQQCCBWZSAWPX-UHFFFAOYSA-N -1 0 341.454 3.655 20 0 EHADRM Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1cc(C)ccc1Cl ZINC000126772841 1029929883 /nfs/dbraw/zinc/92/98/83/1029929883.db2.gz NJBDKEPWSGYJPB-UHFFFAOYSA-N -1 0 326.805 3.623 20 0 EHADRM CSc1ccc(CCCC(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC000583500102 1029960248 /nfs/dbraw/zinc/96/02/48/1029960248.db2.gz MAQQTRRFCDZZIY-UHFFFAOYSA-N -1 0 343.448 3.746 20 0 EHADRM Cc1cc(=NC(=O)C[C@@H](Cc2ccccc2)c2ccccc2)[n-]nc1C ZINC000525661874 1030004830 /nfs/dbraw/zinc/00/48/30/1030004830.db2.gz KSUYGVCBQWLAPH-HXUWFJFHSA-N -1 0 345.446 3.870 20 0 EHADRM COc1ccc(S(=O)(=O)Nc2ccc(C)c3ncccc23)cc1C ZINC000481841811 1030033228 /nfs/dbraw/zinc/03/32/28/1030033228.db2.gz NMUJBTYHCFRINU-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1ncc(-c2ccccc2)cn1 ZINC000481862812 1030054172 /nfs/dbraw/zinc/05/41/72/1030054172.db2.gz BRBCUHJAABLAJQ-UHFFFAOYSA-N -1 0 339.420 3.507 20 0 EHADRM CC(C)n1c(=N)[n-]nc1SCCc1cc(Cl)ccc1Cl ZINC000447284894 1030067768 /nfs/dbraw/zinc/06/77/68/1030067768.db2.gz LWORCOHPBLFBHJ-UHFFFAOYSA-N -1 0 331.272 3.913 20 0 EHADRM CCOc1ccccc1N=c1[n-]nc(SCC(=O)CC2CC2)s1 ZINC000447295899 1030093850 /nfs/dbraw/zinc/09/38/50/1030093850.db2.gz MYZCPPDQNGOGFH-UHFFFAOYSA-N -1 0 349.481 3.564 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)C1(C)C ZINC000042308656 1030111446 /nfs/dbraw/zinc/11/14/46/1030111446.db2.gz GFNPKWYZZMOQSQ-HZPDHXFCSA-N -1 0 346.452 3.583 20 0 EHADRM CCCCOc1ccccc1[N-]S(=O)(=O)c1sccc1OC ZINC000120974471 1030141723 /nfs/dbraw/zinc/14/17/23/1030141723.db2.gz BYEXCIGWLJQQSL-UHFFFAOYSA-N -1 0 341.454 3.736 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)N=c1[n-]c(C2CCOCC2)no1 ZINC000567862283 1030181714 /nfs/dbraw/zinc/18/17/14/1030181714.db2.gz DUKDUJLTODOCCT-AWEZNQCLSA-N -1 0 329.444 3.554 20 0 EHADRM CCSc1n[n-]c(=NC(=O)c2ccc(Oc3ccccc3)o2)s1 ZINC000482118368 1030210284 /nfs/dbraw/zinc/21/02/84/1030210284.db2.gz FRPJHJMQNTYPJL-UHFFFAOYSA-N -1 0 347.421 3.710 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])NC(=O)c2cccc3ccccc32)c1 ZINC000532003650 1030220131 /nfs/dbraw/zinc/22/01/31/1030220131.db2.gz SMNDPHJWYHMZAD-LJQANCHMSA-N -1 0 349.386 3.794 20 0 EHADRM Fc1cc(-c2ccncc2)ccc1CN=c1[n-]nc(-c2ccccc2)o1 ZINC000508598772 1030221920 /nfs/dbraw/zinc/22/19/20/1030221920.db2.gz OCIZMSHBYCEYDI-UHFFFAOYSA-N -1 0 346.365 3.972 20 0 EHADRM COc1ncc(Nc2ccc(C)c(C(=O)[O-])c2)cc1Br ZINC001211592090 1030331498 /nfs/dbraw/zinc/33/14/98/1030331498.db2.gz MYDFUNSUANOPIK-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM Cc1ccc([C@@]2(C)CCN(C(=O)c3cc(F)c(F)c([O-])c3F)C2)cc1 ZINC000447688113 1030423862 /nfs/dbraw/zinc/42/38/62/1030423862.db2.gz FRBBXVRZOPNNLJ-IBGZPJMESA-N -1 0 349.352 3.922 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000162948376 1030468630 /nfs/dbraw/zinc/46/86/30/1030468630.db2.gz GBSUIYQPHZKZBJ-UHFFFAOYSA-N -1 0 337.379 3.617 20 0 EHADRM CCSc1n[n-]c(=NCc2ccccc2OCC(F)(F)F)s1 ZINC000447951056 1030601499 /nfs/dbraw/zinc/60/14/99/1030601499.db2.gz AUPVEFQUXWKSHY-UHFFFAOYSA-N -1 0 349.403 3.625 20 0 EHADRM Cc1nc2ccc([N-]S(=O)(=O)c3cc(F)cc(F)c3)cc2s1 ZINC000016153946 1030604359 /nfs/dbraw/zinc/60/43/59/1030604359.db2.gz VAUUUPVGZQVEPP-UHFFFAOYSA-N -1 0 340.376 3.684 20 0 EHADRM CC(C)[C@H](C)N(C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])C1CC1 ZINC000193912113 1030624462 /nfs/dbraw/zinc/62/44/62/1030624462.db2.gz KIEQJPBISPSEPY-LBPRGKRZSA-N -1 0 347.846 3.880 20 0 EHADRM CCc1nc(CN=c2[n-]nc(SCc3ccccc3)s2)cs1 ZINC000447956529 1030627734 /nfs/dbraw/zinc/62/77/34/1030627734.db2.gz VIBHREURKURNGW-UHFFFAOYSA-N -1 0 348.522 3.883 20 0 EHADRM CC(C)C[C@H]1CCN(C(=O)N=c2nc(-c3ccsc3)[n-]s2)C1 ZINC000447991231 1030644438 /nfs/dbraw/zinc/64/44/38/1030644438.db2.gz NYOBCOOBVYBOFV-LLVKDONJSA-N -1 0 336.486 3.588 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 ZINC000237523754 1030674007 /nfs/dbraw/zinc/67/40/07/1030674007.db2.gz DKIZIAIVMDGFAU-OANVXVOSSA-N -1 0 347.411 3.937 20 0 EHADRM O=S(=O)([N-]c1ncccc1-c1ccccc1)c1cc(F)cc(F)c1 ZINC000536127415 1030745856 /nfs/dbraw/zinc/74/58/56/1030745856.db2.gz OEYMNNHRDDVVAU-UHFFFAOYSA-N -1 0 346.358 3.828 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)N1CCC[C@@H]1CC1CCCCC1 ZINC000448150881 1030775147 /nfs/dbraw/zinc/77/51/47/1030775147.db2.gz HOBWGLAOFHIMSV-MRXNPFEDSA-N -1 0 328.460 3.743 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)N1CCC[C@H]1CC1CCCCC1 ZINC000448150880 1030775339 /nfs/dbraw/zinc/77/53/39/1030775339.db2.gz HOBWGLAOFHIMSV-INIZCTEOSA-N -1 0 328.460 3.743 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-]c2cc(-c3ccccc3)on2)c(F)c1 ZINC000194597048 1030984391 /nfs/dbraw/zinc/98/43/91/1030984391.db2.gz RLDYSIHXGYWGTO-UHFFFAOYSA-N -1 0 346.383 3.731 20 0 EHADRM Cc1cccc(-c2c[nH]c([C@@H]3CCCN3c3ccnc(C(=O)[O-])c3)n2)c1 ZINC000650767390 1031011599 /nfs/dbraw/zinc/01/15/99/1031011599.db2.gz STQXBSJMHYSDOF-SFHVURJKSA-N -1 0 348.406 3.820 20 0 EHADRM COCCCOc1ccc(F)cc1Nc1ccc(C)c(C(=O)[O-])c1 ZINC001211601722 1031040810 /nfs/dbraw/zinc/04/08/10/1031040810.db2.gz HOAIZRJYVWVWLB-UHFFFAOYSA-N -1 0 333.359 3.991 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 ZINC000583882863 1031047401 /nfs/dbraw/zinc/04/74/01/1031047401.db2.gz VJJADTYFJYGTLZ-NSHDSACASA-N -1 0 332.400 3.856 20 0 EHADRM CCc1ccc(CN=c2[n-]nc(-c3cc4c(s3)CCCC4)o2)cn1 ZINC000508608374 1031072563 /nfs/dbraw/zinc/07/25/63/1031072563.db2.gz JIHHZSVEBWDVDB-UHFFFAOYSA-N -1 0 340.452 3.668 20 0 EHADRM C[C@@](CNc1ncc(C(F)(F)F)s1)(C(=O)[O-])c1ccccc1 ZINC000650777160 1031258427 /nfs/dbraw/zinc/25/84/27/1031258427.db2.gz WRSLEUKBXNSTRV-ZDUSSCGKSA-N -1 0 330.331 3.616 20 0 EHADRM CCc1cccc(CC)c1[N-]S(=O)(=O)c1cnc(Cl)c(C)c1 ZINC000739671903 1031271847 /nfs/dbraw/zinc/27/18/47/1031271847.db2.gz LGHNMCLERFXYOP-UHFFFAOYSA-N -1 0 338.860 3.969 20 0 EHADRM O=S(=O)([N-]c1ccc(F)c(C(F)(F)F)c1)c1ccsc1 ZINC000349970832 1031375852 /nfs/dbraw/zinc/37/58/52/1031375852.db2.gz ILRIDZAKAFFZKD-UHFFFAOYSA-N -1 0 325.308 3.707 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N[C@H](C2CCCCC2)C(F)(F)F)c1 ZINC000668301069 1031428626 /nfs/dbraw/zinc/42/86/26/1031428626.db2.gz CLSZYWYWWOOSGQ-OAHLLOKOSA-N -1 0 343.345 3.555 20 0 EHADRM CCSc1ccc(Cl)cc1[N-]S(=O)(=O)CCOC(C)C ZINC000176468872 1031442321 /nfs/dbraw/zinc/44/23/21/1031442321.db2.gz NLAPMHMDDSEYCS-UHFFFAOYSA-N -1 0 337.894 3.619 20 0 EHADRM Cc1csc(C)c1S(=O)(=O)[N-]c1nnc(C2CCCCC2)o1 ZINC000903626292 1031455773 /nfs/dbraw/zinc/45/57/73/1031455773.db2.gz KNBCBXGIPWJQDO-UHFFFAOYSA-N -1 0 341.458 3.596 20 0 EHADRM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1cccc(F)c1C ZINC000477340446 1031467086 /nfs/dbraw/zinc/46/70/86/1031467086.db2.gz KJMIMXQPGGOCPS-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM C[C@@H](C(=O)N=c1ccc(C(F)(F)F)n[n-]1)c1ccc2ccccc2c1 ZINC000484145903 1031470404 /nfs/dbraw/zinc/47/04/04/1031470404.db2.gz NGEOYHKBSSWDRP-LLVKDONJSA-N -1 0 345.324 3.813 20 0 EHADRM O=C(N=c1[n-]nc(/C=C/c2ccco2)s1)NCCC1=CCCCC1 ZINC000484170460 1031481655 /nfs/dbraw/zinc/48/16/55/1031481655.db2.gz QJNBQRLJHBAEFI-CMDGGOBGSA-N -1 0 344.440 3.735 20 0 EHADRM CC(C)(CC(=O)N(Cc1c(Cl)cccc1Cl)C1CC1)C(=O)[O-] ZINC000668324547 1031489069 /nfs/dbraw/zinc/48/90/69/1031489069.db2.gz WIXFXAPNSNPFKG-UHFFFAOYSA-N -1 0 344.238 3.985 20 0 EHADRM Cc1ccccc1-c1nc(=N[C@@H]2CCOC3(CCCC3)C2)s[n-]1 ZINC000527935134 1031501484 /nfs/dbraw/zinc/50/14/84/1031501484.db2.gz SGEVBMIYQMAMLN-CQSZACIVSA-N -1 0 329.469 3.839 20 0 EHADRM O=S(=O)([N-]c1cccc2cccnc21)c1ccc(CCCl)cc1 ZINC000042777421 1031514974 /nfs/dbraw/zinc/51/49/74/1031514974.db2.gz ZDKRJYBSVGSGOB-UHFFFAOYSA-N -1 0 346.839 3.817 20 0 EHADRM CC(C)(C)c1coc(CN[C@@H](CC(=O)[O-])c2ccc(F)cc2F)n1 ZINC000904002114 1031587730 /nfs/dbraw/zinc/58/77/30/1031587730.db2.gz NRVXDZNPWSOASS-ZDUSSCGKSA-N -1 0 338.354 3.556 20 0 EHADRM O=C([O-])C[C@H](NCc1ccc(C(F)F)nc1)c1ccc(F)cc1F ZINC000904001738 1031587940 /nfs/dbraw/zinc/58/79/40/1031587940.db2.gz FFVYQKQLOGROLU-AWEZNQCLSA-N -1 0 342.292 3.603 20 0 EHADRM O=S(=O)(N[C@H]1CCc2sc(Cl)cc21)c1cccc(F)c1F ZINC000565897621 1031615784 /nfs/dbraw/zinc/61/57/84/1031615784.db2.gz OPXBXKADDWWLCQ-VIFPVBQESA-N -1 0 349.811 3.646 20 0 EHADRM COc1ccc([C@@H](CCC(=O)[O-])NCc2nc(C(C)(C)C)co2)cc1 ZINC000904004898 1031621782 /nfs/dbraw/zinc/62/17/82/1031621782.db2.gz HIVIHZSUCFBDTC-OAHLLOKOSA-N -1 0 346.427 3.676 20 0 EHADRM CC(C)(C)c1ncc([N-]S(=O)(=O)c2cccc3ccccc32)cn1 ZINC000084460780 1031631599 /nfs/dbraw/zinc/63/15/99/1031631599.db2.gz ANFRCSCCQZIJFN-UHFFFAOYSA-N -1 0 341.436 3.728 20 0 EHADRM COCc1ccccc1S(=O)(=O)[N-]c1cccc2ccsc21 ZINC000484565663 1031741570 /nfs/dbraw/zinc/74/15/70/1031741570.db2.gz CUJGSCDKHUJHQZ-UHFFFAOYSA-N -1 0 333.434 3.849 20 0 EHADRM C[C@@H](N=c1[n-]nc(-c2cc(Cl)cc(Cl)c2)s1)[C@@H]1CCOC1 ZINC000584132534 1031781796 /nfs/dbraw/zinc/78/17/96/1031781796.db2.gz FFFUSSAQKQZZDX-RKDXNWHRSA-N -1 0 344.267 3.771 20 0 EHADRM CCO[C@H]1C[C@@H](NC(=O)c2cc(F)c(F)c([O-])c2F)C1(CC)CC ZINC000180126872 1031804919 /nfs/dbraw/zinc/80/49/19/1031804919.db2.gz ASAPYJNJSCMTJE-NEPJUHHUSA-N -1 0 345.361 3.523 20 0 EHADRM COC(=O)c1coc(/C=C/c2nc3ccc(C(=O)[O-])cc3s2)c1 ZINC000431542523 1031834419 /nfs/dbraw/zinc/83/44/19/1031834419.db2.gz DJDITSZTOGRNBR-HWKANZROSA-N -1 0 329.333 3.545 20 0 EHADRM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000180091285 1031840269 /nfs/dbraw/zinc/84/02/69/1031840269.db2.gz YSPOMCQDWQHVOK-RKDXNWHRSA-N -1 0 333.375 3.556 20 0 EHADRM CCOc1cccc(NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)c1 ZINC000904195656 1031843260 /nfs/dbraw/zinc/84/32/60/1031843260.db2.gz VWZRNDAOOOEYRB-UHFFFAOYSA-N -1 0 344.411 3.591 20 0 EHADRM O=C(c1cc(Br)c(F)cc1[O-])N1CCC[C@H]1C1CCC1 ZINC000448894830 1031845274 /nfs/dbraw/zinc/84/52/74/1031845274.db2.gz AUPUXRYZUAMSHZ-ZDUSSCGKSA-N -1 0 342.208 3.699 20 0 EHADRM Cc1coc(-c2cc(N[C@H]3C[C@@H](NC(=O)[O-])C34CCC4)ccc2C)n1 ZINC000904199457 1031845974 /nfs/dbraw/zinc/84/59/74/1031845974.db2.gz KEOXXPUQWYPPCG-JKSUJKDBSA-N -1 0 341.411 3.949 20 0 EHADRM CCCC(=O)Nc1cccc(N[C@@H]2C[C@H](NC(=O)[O-])C23CCC3)c1C ZINC000904200305 1031847498 /nfs/dbraw/zinc/84/74/98/1031847498.db2.gz XKHAMOVKQFKDJA-CVEARBPZSA-N -1 0 345.443 3.724 20 0 EHADRM O=C([O-])N[C@H]1C[C@@H](Nc2ccc(N3CCCC3)c(Cl)c2)C12CCC2 ZINC000904200383 1031847689 /nfs/dbraw/zinc/84/76/89/1031847689.db2.gz TWCPBJOWVWNAIJ-CVEARBPZSA-N -1 0 349.862 3.931 20 0 EHADRM O=C([O-])N[C@@H]1C[C@H](Nc2ccc3nc(C4CC4)oc3c2)C12CCC2 ZINC000904224414 1031859787 /nfs/dbraw/zinc/85/97/87/1031859787.db2.gz VWMPQEQXPVAHRS-LSDHHAIUSA-N -1 0 327.384 3.696 20 0 EHADRM O=C([O-])[C@@H](CC(=O)N[C@@H]1CCCc2c(F)cccc21)c1ccccc1 ZINC000666105684 1031871197 /nfs/dbraw/zinc/87/11/97/1031871197.db2.gz MWRGWZZSEZPFFX-FUHWJXTLSA-N -1 0 341.382 3.578 20 0 EHADRM COc1cc(N[C@@H]2C[C@H](NC(=O)[O-])C23CCC3)cc(OC)c1C(C)C ZINC000904231836 1031871479 /nfs/dbraw/zinc/87/14/79/1031871479.db2.gz ZDFGZYUESDKKOQ-CVEARBPZSA-N -1 0 348.443 3.818 20 0 EHADRM CC(C)OC(=O)C[C@@H](N=c1nc(C(C)C)[n-]s1)c1ccccc1 ZINC000537834014 1031950555 /nfs/dbraw/zinc/95/05/55/1031950555.db2.gz KHUDBVGYQTYKOD-CQSZACIVSA-N -1 0 333.457 3.578 20 0 EHADRM COc1ccc([C@H](NC(=O)c2ccc(O)cc2F)C(F)(F)F)cc1 ZINC000163826475 1031969355 /nfs/dbraw/zinc/96/93/55/1031969355.db2.gz HENZIIYRQKMPFM-AWEZNQCLSA-N -1 0 343.276 3.573 20 0 EHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)CCc1cccc(C(F)(F)F)c1 ZINC000448990369 1031998981 /nfs/dbraw/zinc/99/89/81/1031998981.db2.gz ILSZGFCWPGUFEI-MRXNPFEDSA-N -1 0 345.361 3.644 20 0 EHADRM C[C@@H](CC1CCCC1)C(=O)NC[C@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC000448997416 1032002632 /nfs/dbraw/zinc/00/26/32/1032002632.db2.gz UPOGZDTXJXPBFP-DJJJIMSYSA-N -1 0 335.419 3.501 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2cc(Cl)c(Cl)cc2F)C1 ZINC000263125091 1033312600 /nfs/dbraw/zinc/31/26/00/1033312600.db2.gz MLOYQFCZBRXFAR-YUMQZZPRSA-N -1 0 349.189 3.707 20 0 EHADRM CCOCc1n[n-]c(=NCc2ccc(-c3cc(C)cc(C)c3)cc2)o1 ZINC000537490725 1033378420 /nfs/dbraw/zinc/37/84/20/1033378420.db2.gz SBHNZZKWNSLDTK-UHFFFAOYSA-N -1 0 337.423 3.924 20 0 EHADRM CCC(CC)(CC(=O)Nc1ccc(NC(=O)C(C)C)cc1)C(=O)[O-] ZINC000011247330 1033382398 /nfs/dbraw/zinc/38/23/98/1033382398.db2.gz YWKSGKYBMJNJAM-UHFFFAOYSA-N -1 0 334.416 3.501 20 0 EHADRM C[C@@]1(C(=O)Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)CC=CCC1 ZINC001142548208 1033427354 /nfs/dbraw/zinc/42/73/54/1033427354.db2.gz OBHVLNTZOXENEP-GOSISDBHSA-N -1 0 345.420 3.771 20 0 EHADRM O=C([N-]c1nc(Cc2ccccc2)ns1)c1c(F)ccc(F)c1F ZINC000163322765 1033456258 /nfs/dbraw/zinc/45/62/58/1033456258.db2.gz LSBMEKIQAIJUGZ-UHFFFAOYSA-N -1 0 349.337 3.799 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])[S@@](=O)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000594659152 1033494176 /nfs/dbraw/zinc/49/41/76/1033494176.db2.gz MLQXXLJJZWQSKZ-MQJDWESPSA-N -1 0 342.766 3.717 20 0 EHADRM C[C@H]1CCC[C@H](C)N(C(=O)N=c2[n-]nc(Cc3ccccc3)s2)C1 ZINC000608263366 1033558471 /nfs/dbraw/zinc/55/84/71/1033558471.db2.gz CQCVKGABKLOIDY-KBPBESRZSA-N -1 0 344.484 3.593 20 0 EHADRM Cc1cc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])ccc1C(F)(F)F ZINC000608340741 1033644804 /nfs/dbraw/zinc/64/48/04/1033644804.db2.gz VIBLQBLNJXHMLU-RYUDHWBXSA-N -1 0 327.302 3.619 20 0 EHADRM CCC[C@@H](OC)C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000450048176 1033658970 /nfs/dbraw/zinc/65/89/70/1033658970.db2.gz WNEUZUHRUTXCFQ-SNVBAGLBSA-N -1 0 336.613 3.562 20 0 EHADRM CC(C)(C)c1nc(CN[C@H](C(=O)[O-])c2ccc(F)cc2F)cs1 ZINC000574888342 1033673074 /nfs/dbraw/zinc/67/30/74/1033673074.db2.gz UTZSDBFAVKSSOW-ZDUSSCGKSA-N -1 0 340.395 3.634 20 0 EHADRM Cc1cc(C)nc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000107555645 1033705330 /nfs/dbraw/zinc/70/53/30/1033705330.db2.gz LXSBCHGKUOHNDN-UHFFFAOYSA-N -1 0 337.253 3.868 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)[C@@H]2CCCC3(CC3)C2)c1 ZINC000595244792 1033717562 /nfs/dbraw/zinc/71/75/62/1033717562.db2.gz MSCXBYXLPYLFMZ-CQSZACIVSA-N -1 0 333.453 3.913 20 0 EHADRM C[C@@](CC(=O)N1CCC[C@H]1c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000326673105 1033731152 /nfs/dbraw/zinc/73/11/52/1033731152.db2.gz KDSRRIVVJLWDDZ-RXVVDRJESA-N -1 0 337.419 3.783 20 0 EHADRM C[C@@](CC(=O)N1CCC[C@@H]1c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000326673104 1033731876 /nfs/dbraw/zinc/73/18/76/1033731876.db2.gz KDSRRIVVJLWDDZ-NQIIRXRSSA-N -1 0 337.419 3.783 20 0 EHADRM O=C(Nc1cccc2cnccc21)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000063809276 1033736697 /nfs/dbraw/zinc/73/66/97/1033736697.db2.gz BHHHKHSWLBJMJF-UHFFFAOYSA-N -1 0 348.387 3.798 20 0 EHADRM Cc1nc2cc(CSc3n[n-]c(=NCC(C)C)s3)ccc2[nH]1 ZINC000460424322 1033761364 /nfs/dbraw/zinc/76/13/64/1033761364.db2.gz FIVLHZPHUXEEJB-UHFFFAOYSA-N -1 0 333.486 3.505 20 0 EHADRM Cc1nc(=NC(=O)C2(c3ccc(C(C)C)cc3)CCCC2)s[n-]1 ZINC000608557958 1033762121 /nfs/dbraw/zinc/76/21/21/1033762121.db2.gz AIJSTYRHVYTGGY-UHFFFAOYSA-N -1 0 329.469 3.842 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)CC(C)(C)CC(F)F)cc1 ZINC000892415832 1033762825 /nfs/dbraw/zinc/76/28/25/1033762825.db2.gz IFCPKJUEBMCUJL-UHFFFAOYSA-N -1 0 347.427 3.516 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000608755065 1033861876 /nfs/dbraw/zinc/86/18/76/1033861876.db2.gz KAVKJDWFPPWFAP-DLBZAZTESA-N -1 0 331.412 3.717 20 0 EHADRM Cc1ccccc1-c1n[n-]c(=NCc2ccc(OCC3CC3)cc2)o1 ZINC000575113106 1033861904 /nfs/dbraw/zinc/86/19/04/1033861904.db2.gz STVNAQXULQWYRR-UHFFFAOYSA-N -1 0 335.407 3.868 20 0 EHADRM Nc1c(Cl)cc(NC(=O)c2cc(F)c([O-])c(F)c2)cc1Cl ZINC000176968228 1033894092 /nfs/dbraw/zinc/89/40/92/1033894092.db2.gz NRPVNQOVOUPNLT-UHFFFAOYSA-N -1 0 333.121 3.812 20 0 EHADRM O=C(C=Cc1cccc(F)c1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000046928755 1033896524 /nfs/dbraw/zinc/89/65/24/1033896524.db2.gz UBGJZAVSHLLETR-GQCTYLIASA-N -1 0 345.804 3.899 20 0 EHADRM COC(=O)[C@@H]1CCc2cc(Nc3ccc(C(=O)[O-])cc3C)ccc21 ZINC001211628811 1033915998 /nfs/dbraw/zinc/91/59/98/1033915998.db2.gz IZJWTYXDVCVLIE-MRXNPFEDSA-N -1 0 325.364 3.640 20 0 EHADRM CSCCc1ccc([N-]S(=O)(=O)c2cc(C)ccc2F)cc1 ZINC000609015930 1033976310 /nfs/dbraw/zinc/97/63/10/1033976310.db2.gz NVCKSEJNTCLOHF-UHFFFAOYSA-N -1 0 339.457 3.840 20 0 EHADRM C[C@@H](COc1ccc(F)cc1F)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000055697584 1033982463 /nfs/dbraw/zinc/98/24/63/1033982463.db2.gz HLIGEKYLWCUTDD-VIFPVBQESA-N -1 0 341.741 3.521 20 0 EHADRM CCCSc1nc(=NC(=O)NC2CC(c3ccccc3)C2)s[n-]1 ZINC000476496411 1033994583 /nfs/dbraw/zinc/99/45/83/1033994583.db2.gz YEQIFLATACNTCK-UHFFFAOYSA-N -1 0 348.497 3.530 20 0 EHADRM COCCSc1ccc([C@H](C)N=c2[n-]c(C3CCC3)no2)cc1 ZINC000450316676 1034099717 /nfs/dbraw/zinc/09/97/17/1034099717.db2.gz RLXBNLVUEOKRLT-LBPRGKRZSA-N -1 0 333.457 3.671 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N2CC[C@@H](c3ccccc3)C2)s1 ZINC000476510851 1034170995 /nfs/dbraw/zinc/17/09/95/1034170995.db2.gz KKUSMPYIDQXNTE-OAHLLOKOSA-N -1 0 344.484 3.714 20 0 EHADRM Cc1cc(=NC(=O)c2cnc(-c3ccccc3Cl)s2)[n-]nc1C ZINC000604233965 1034289187 /nfs/dbraw/zinc/28/91/87/1034289187.db2.gz KNDCCWQWZCQHEX-UHFFFAOYSA-N -1 0 344.827 3.545 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ccccc2OC(C)(C)C)cc1 ZINC000604305905 1034320787 /nfs/dbraw/zinc/32/07/87/1034320787.db2.gz LJUJPKNBGSBRIO-UHFFFAOYSA-N -1 0 335.425 3.673 20 0 EHADRM O=C([O-])COc1cccc(-c2cc(F)ccc2OC[C@@H]2CCCO2)c1 ZINC000514873018 1034382073 /nfs/dbraw/zinc/38/20/73/1034382073.db2.gz JXVHCRVNBCORII-INIZCTEOSA-N -1 0 346.354 3.514 20 0 EHADRM CCC(CC)C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000192888165 1034398764 /nfs/dbraw/zinc/39/87/64/1034398764.db2.gz LXSZARDACGDENC-ZDUSSCGKSA-N -1 0 347.333 3.653 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1Cc1cc(Br)c(Cl)s1 ZINC000227979326 1034400990 /nfs/dbraw/zinc/40/09/90/1034400990.db2.gz ZTEYZKQKKCORGN-ZETCQYMHSA-N -1 0 338.654 3.603 20 0 EHADRM CCc1n[n-]c(=NC(=O)N[C@@H](c2ccccc2Cl)C(C)C)s1 ZINC000604609888 1034436047 /nfs/dbraw/zinc/43/60/47/1034436047.db2.gz QJKCHHTXEATWHR-CYBMUJFWSA-N -1 0 338.864 3.695 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)c1cccc(Oc2ccccc2)c1 ZINC000604708502 1034462356 /nfs/dbraw/zinc/46/23/56/1034462356.db2.gz RKUASLZTBVRCTK-UHFFFAOYSA-N -1 0 331.375 3.821 20 0 EHADRM CCc1oc(C(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)cc1C(=O)[O-] ZINC000450541554 1034494295 /nfs/dbraw/zinc/49/42/95/1034494295.db2.gz QWPQNQKXWAUIRX-HNNXBMFYSA-N -1 0 341.407 3.806 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)N[C@@H](c2ccccc2)C2CCC2)s[n-]1 ZINC000604801794 1034507955 /nfs/dbraw/zinc/50/79/55/1034507955.db2.gz RDOHXYAQVXWXGR-AWEZNQCLSA-N -1 0 344.484 3.920 20 0 EHADRM CCOc1cccc([C@H](C)NC(=O)N=c2nc(C(C)(C)C)[n-]s2)c1 ZINC000604800365 1034508100 /nfs/dbraw/zinc/50/81/00/1034508100.db2.gz PWGBYYLCPPPVIR-NSHDSACASA-N -1 0 348.472 3.539 20 0 EHADRM CC1(C)CN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C[C@H]1c1ccccc1 ZINC000450537934 1034511233 /nfs/dbraw/zinc/51/12/33/1034511233.db2.gz DWULKWVHKSFOLK-IKGGRYGDSA-N -1 0 329.440 3.530 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc3ccccc3n2)cc1Cl ZINC000604837207 1034521051 /nfs/dbraw/zinc/52/10/51/1034521051.db2.gz BIAUHYXUPZQPGH-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)C=Cc2ccccc2F)c(C)c1 ZINC000060498657 1034627590 /nfs/dbraw/zinc/62/75/90/1034627590.db2.gz CICDZJOPQJHWJQ-CSKARUKUSA-N -1 0 333.384 3.801 20 0 EHADRM CC[C@]1(C)CCCN(C(=O)N=c2nc(-c3ccccc3)[n-]s2)C1 ZINC000475667803 1034632088 /nfs/dbraw/zinc/63/20/88/1034632088.db2.gz NFOGIAUYSNIPSZ-QGZVFWFLSA-N -1 0 330.457 3.671 20 0 EHADRM Fc1cc(F)cc(O[C@@H]2CCC[C@H]2N=c2[n-]nc(C3CC3)s2)c1 ZINC000343813945 1034637422 /nfs/dbraw/zinc/63/74/22/1034637422.db2.gz QRUZUKYFHZMXSE-ZIAGYGMSSA-N -1 0 337.395 3.528 20 0 EHADRM Cc1cccc(-c2ccc(CNC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])cc2)c1 ZINC000605165080 1034641757 /nfs/dbraw/zinc/64/17/57/1034641757.db2.gz HDJMZOLXIZUMBI-WOJBJXKFSA-N -1 0 349.430 3.945 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-])c1cccc(Cl)c1Cl ZINC000605165273 1034642385 /nfs/dbraw/zinc/64/23/85/1034642385.db2.gz YEDZHDLXCFOVBM-ZMLRMANQSA-N -1 0 342.222 3.838 20 0 EHADRM O=S(=O)([N-]c1nc2ccsc2s1)c1ccc(Cl)cc1 ZINC000605257711 1034672049 /nfs/dbraw/zinc/67/20/49/1034672049.db2.gz GTGPYERLYZEFRX-UHFFFAOYSA-N -1 0 330.843 3.812 20 0 EHADRM COC1(CSc2n[n-]c(=Nc3cccc(F)c3)s2)CCC1 ZINC000450729877 1034735282 /nfs/dbraw/zinc/73/52/82/1034735282.db2.gz UNTNOZSNIOSEBK-UHFFFAOYSA-N -1 0 325.434 3.504 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC[C@@]2(CCSC2)C1 ZINC000456818776 1034748861 /nfs/dbraw/zinc/74/88/61/1034748861.db2.gz DWMBJSOQOQVVMY-OAHLLOKOSA-N -1 0 329.824 3.544 20 0 EHADRM Cc1ccc(F)c(CSc2nc(=O)cc([O-])n2C2CCCC2)c1 ZINC000450787926 1034787390 /nfs/dbraw/zinc/78/73/90/1034787390.db2.gz GNZWZESQCSKVEB-UHFFFAOYSA-N -1 0 334.416 3.804 20 0 EHADRM CSCCc1ccc([N-]S(=O)(=O)c2ccc(C(F)F)o2)cc1 ZINC000601977151 1034846214 /nfs/dbraw/zinc/84/62/14/1034846214.db2.gz XFSPKOUWONTQDY-UHFFFAOYSA-N -1 0 347.408 3.924 20 0 EHADRM C[C@H](NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])c1cc2ccccc2s1 ZINC000601983353 1034846495 /nfs/dbraw/zinc/84/64/95/1034846495.db2.gz KZTXSBJTKIFNJW-DCAQKATOSA-N -1 0 337.466 3.673 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])ccc1C(F)(F)F ZINC000601985745 1034848906 /nfs/dbraw/zinc/84/89/06/1034848906.db2.gz RZFUYGDCJFNUJN-BDAKNGLRSA-N -1 0 335.347 3.547 20 0 EHADRM COc1ccc(C2(C(=O)Nc3cccc(F)c3O)CCCC2)cc1 ZINC000530007579 1034852942 /nfs/dbraw/zinc/85/29/42/1034852942.db2.gz XHRLSCVGUYQUQY-UHFFFAOYSA-N -1 0 329.371 3.990 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)cc1 ZINC000606145998 1034874623 /nfs/dbraw/zinc/87/46/23/1034874623.db2.gz TUBIIYVTXDJNTK-UHFFFAOYSA-N -1 0 333.438 3.501 20 0 EHADRM Cn1nc(CC(C)(C)C)cc1[N-]S(=O)(=O)c1sccc1Cl ZINC000450965831 1034992573 /nfs/dbraw/zinc/99/25/73/1034992573.db2.gz DXNYPOGEQHVNNV-UHFFFAOYSA-N -1 0 347.893 3.524 20 0 EHADRM CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1cccc2ccoc21 ZINC000450968918 1034995366 /nfs/dbraw/zinc/99/53/66/1034995366.db2.gz ABGRFJMGFRGHJK-UHFFFAOYSA-N -1 0 347.440 3.929 20 0 EHADRM CC(C)OCc1cccc([N-]S(=O)(=O)c2sccc2F)c1 ZINC000450992156 1035003157 /nfs/dbraw/zinc/00/31/57/1035003157.db2.gz OVKBITIVOPNWIX-UHFFFAOYSA-N -1 0 329.418 3.613 20 0 EHADRM O=S(=O)([N-]c1cccc(C2CCOCC2)c1)c1ccccc1F ZINC000530143816 1035003968 /nfs/dbraw/zinc/00/39/68/1035003968.db2.gz AMPGYGQNOKLWKA-UHFFFAOYSA-N -1 0 335.400 3.521 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2nccc(C3CC3)n2)s1 ZINC000530157574 1035026982 /nfs/dbraw/zinc/02/69/82/1035026982.db2.gz UIHSJQLZZHWHSV-UHFFFAOYSA-N -1 0 337.470 3.514 20 0 EHADRM O=C([O-])[C@@H]1c2ccoc2CCN1Cc1csc(-c2ccsc2)n1 ZINC000530164693 1035034578 /nfs/dbraw/zinc/03/45/78/1035034578.db2.gz BUBBRZVGIMPLLL-AWEZNQCLSA-N -1 0 346.433 3.649 20 0 EHADRM C[C@H]1CCN(Cc2ccc(Br)cc2Cl)C[C@H]1C(=O)[O-] ZINC000570092261 1035044702 /nfs/dbraw/zinc/04/47/02/1035044702.db2.gz ZPLLIRKXWNTHMJ-JOYOIKCWSA-N -1 0 346.652 3.645 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H]1C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000317015846 1035239613 /nfs/dbraw/zinc/23/96/13/1035239613.db2.gz BQYHOUSGCZUHGN-IUCAKERBSA-N -1 0 335.709 3.798 20 0 EHADRM Cc1cscc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000161643367 1035347316 /nfs/dbraw/zinc/34/73/16/1035347316.db2.gz XXBZMYYHRAMQIH-UHFFFAOYSA-N -1 0 344.417 3.576 20 0 EHADRM CC(=O)N[C@H](CCC(C)C)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000613157671 1035429233 /nfs/dbraw/zinc/42/92/33/1035429233.db2.gz AWIABXYEHYJUPS-CYBMUJFWSA-N -1 0 347.242 3.578 20 0 EHADRM C[C@](CC(=O)NCCC1=CCCC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000414072623 1035443401 /nfs/dbraw/zinc/44/34/01/1035443401.db2.gz FAZIPTJJFIPLMF-GOSISDBHSA-N -1 0 335.831 3.689 20 0 EHADRM CO[C@H](C)c1nc(=Nc2ccc(-c3nc(C)cs3)cc2)s[n-]1 ZINC000509713972 1035523081 /nfs/dbraw/zinc/52/30/81/1035523081.db2.gz PFIPSFDVQLCTGE-SNVBAGLBSA-N -1 0 332.454 3.843 20 0 EHADRM CCOc1ccc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)c(F)c1 ZINC000414109138 1035537539 /nfs/dbraw/zinc/53/75/39/1035537539.db2.gz UOTKTZQTKDKQLB-LJQANCHMSA-N -1 0 345.370 3.596 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)sc1C ZINC000540695962 1035598484 /nfs/dbraw/zinc/59/84/84/1035598484.db2.gz FUUQIJHLGZRGRQ-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM Cc1ccc(NC(=O)C(C)C)cc1NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000414124914 1035630570 /nfs/dbraw/zinc/63/05/70/1035630570.db2.gz PRCZPHPOCKSMHF-UHFFFAOYSA-N -1 0 346.427 3.563 20 0 EHADRM c1ccc(N=c2[n-]nc(Sc3nc4ccccc4o3)s2)cc1 ZINC000613352274 1035633844 /nfs/dbraw/zinc/63/38/44/1035633844.db2.gz FTOGXLOBGAHZLU-UHFFFAOYSA-N -1 0 326.406 3.996 20 0 EHADRM Cc1[nH]c2c(cccc2C(=O)NCC2(CC(=O)[O-])CCCCC2)c1C ZINC000540774628 1035668161 /nfs/dbraw/zinc/66/81/61/1035668161.db2.gz OTIOKPFRTDRPDE-UHFFFAOYSA-N -1 0 342.439 3.940 20 0 EHADRM FC(F)(F)c1ccc(CN=c2[n-]nc(CC3CCCC3)o2)cc1 ZINC000540793310 1035687136 /nfs/dbraw/zinc/68/71/36/1035687136.db2.gz NNASTZMSUHLZNO-UHFFFAOYSA-N -1 0 325.334 3.855 20 0 EHADRM CC(C)(C)n1nc(C(=O)Nc2ccc(F)c(F)c2[O-])cc1C1CC1 ZINC000457286291 1035916241 /nfs/dbraw/zinc/91/62/41/1035916241.db2.gz DUMPWTZJKVWSQC-UHFFFAOYSA-N -1 0 335.354 3.752 20 0 EHADRM COc1cc(F)c(S(=O)(=O)[N-]c2ccccc2C(C)C)c(F)c1 ZINC000588625591 1035917604 /nfs/dbraw/zinc/91/76/04/1035917604.db2.gz LWFDULRWRPOVES-UHFFFAOYSA-N -1 0 341.379 3.898 20 0 EHADRM CC(C)C[C@@H](Cc1cccc(-c2cnc3c(c2)CC(=O)N3)c1)C(=O)[O-] ZINC000521372044 1035923184 /nfs/dbraw/zinc/92/31/84/1035923184.db2.gz VQPWYXBGAHVJKX-INIZCTEOSA-N -1 0 338.407 3.533 20 0 EHADRM CC(C)Cn1cc(C(=O)Nc2ccc(F)c(F)c2[O-])c(C(F)F)n1 ZINC000457308610 1035965768 /nfs/dbraw/zinc/96/57/68/1035965768.db2.gz HGWJNSCVIGOWJG-UHFFFAOYSA-N -1 0 345.296 3.713 20 0 EHADRM O=C(CCCc1cccs1)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000646462647 1035980559 /nfs/dbraw/zinc/98/05/59/1035980559.db2.gz GATADJGTMFISDH-UHFFFAOYSA-N -1 0 327.409 3.805 20 0 EHADRM COc1cc(-c2cccc(CCC(=O)[O-])c2)cnc1C(F)(F)F ZINC000572304671 1036062047 /nfs/dbraw/zinc/06/20/47/1036062047.db2.gz XFAZJESMVVQTTR-UHFFFAOYSA-N -1 0 325.286 3.793 20 0 EHADRM CCOc1cccc(-c2ccc(-n3nnc(C(=O)[O-])c3C3CC3)cc2)c1 ZINC000572498003 1036117963 /nfs/dbraw/zinc/11/79/63/1036117963.db2.gz FPWAFRCRBNMLIU-UHFFFAOYSA-N -1 0 349.390 3.909 20 0 EHADRM c1ccc(Cc2n[n-]c(=N[C@H]3CSc4ccccc43)s2)cc1 ZINC000541280217 1036136822 /nfs/dbraw/zinc/13/68/22/1036136822.db2.gz ZEJORTVCPVGJCT-AWEZNQCLSA-N -1 0 325.462 3.810 20 0 EHADRM Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000541304991 1036174291 /nfs/dbraw/zinc/17/42/91/1036174291.db2.gz VOXTXWDENSOIEH-UHFFFAOYSA-N -1 0 333.457 3.806 20 0 EHADRM CCC[C@@H](C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1ccccc1 ZINC000170748353 1036194772 /nfs/dbraw/zinc/19/47/72/1036194772.db2.gz UTUJYMILROYWRT-MRXNPFEDSA-N -1 0 337.379 3.552 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cccc(C)c2)n(-c2ccccc2C)n1 ZINC000589264622 1036327627 /nfs/dbraw/zinc/32/76/27/1036327627.db2.gz UHBANFWXMBIUOP-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(COc3ccccc3)cc2)CCCC1 ZINC000572526564 1036403787 /nfs/dbraw/zinc/40/37/87/1036403787.db2.gz HUVBGKSKBKHIJI-UHFFFAOYSA-N -1 0 339.391 3.849 20 0 EHADRM Cc1ccc2c(c1)CC[C@H](C(=O)Nc1cc(Cl)c([O-])cc1F)O2 ZINC000376380926 1036414062 /nfs/dbraw/zinc/41/40/62/1036414062.db2.gz JJCKCXGFWQOUJK-MRXNPFEDSA-N -1 0 335.762 3.825 20 0 EHADRM Cc1cc([C@H](NC(=O)Cc2ccc(C(=O)[O-])cc2)C2CC2)ccc1F ZINC000572737289 1036475667 /nfs/dbraw/zinc/47/56/67/1036475667.db2.gz WKKDVEIDADYSFM-LJQANCHMSA-N -1 0 341.382 3.642 20 0 EHADRM Brc1ccc(-c2ccc(CN=c3[n-]nco3)s2)cc1 ZINC000472578000 1036489036 /nfs/dbraw/zinc/48/90/36/1036489036.db2.gz DHNWQNCGCKBXBI-UHFFFAOYSA-N -1 0 336.214 3.595 20 0 EHADRM O=C(Nc1cc(Br)cc(Cl)c1[O-])[C@H]1C[C@@H]1C1CC1 ZINC000493028685 1036548865 /nfs/dbraw/zinc/54/88/65/1036548865.db2.gz SERZQGNPZXFWOR-BDAKNGLRSA-N -1 0 330.609 3.793 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)C2(c3cccc(Cl)c3)CC2)s[n-]1 ZINC000589936733 1036666344 /nfs/dbraw/zinc/66/63/44/1036666344.db2.gz JEQHMJRKSAWAQG-UHFFFAOYSA-N -1 0 335.860 3.581 20 0 EHADRM C[C@@H](CCCc1cccnc1)NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000457949925 1036672293 /nfs/dbraw/zinc/67/22/93/1036672293.db2.gz VCZOWYWCFQHBBM-NSHDSACASA-N -1 0 336.794 3.721 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1 ZINC000541832996 1036687285 /nfs/dbraw/zinc/68/72/85/1036687285.db2.gz UJJMFMHGZPJITB-UHFFFAOYSA-N -1 0 333.457 3.582 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)/C=C/c2ccccc2OC(F)F)cc1 ZINC000493122775 1036737584 /nfs/dbraw/zinc/73/75/84/1036737584.db2.gz ULCRKCGYCYBUJU-JXMROGBWSA-N -1 0 347.317 3.567 20 0 EHADRM Cc1ccc(SCCC(=O)NCc2ccc(C(=O)[O-])s2)cc1C ZINC000263256789 1036738867 /nfs/dbraw/zinc/73/88/67/1036738867.db2.gz UHVAWGYUHYBYEK-UHFFFAOYSA-N -1 0 349.477 3.862 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cccc(Nc2ccccc2)c1 ZINC000263269945 1036743293 /nfs/dbraw/zinc/74/32/93/1036743293.db2.gz VVPWAWYMRHXFHX-HOCLYGCPSA-N -1 0 338.407 3.756 20 0 EHADRM Cc1cccc(O[C@H](C)C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c1 ZINC000263361479 1036819197 /nfs/dbraw/zinc/81/91/97/1036819197.db2.gz YOMHETADCIPJHL-UONOGXRCSA-N -1 0 327.380 3.589 20 0 EHADRM Cc1cccc(O[C@@H](C)C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c1 ZINC000263361477 1036819284 /nfs/dbraw/zinc/81/92/84/1036819284.db2.gz YOMHETADCIPJHL-KBPBESRZSA-N -1 0 327.380 3.589 20 0 EHADRM Cc1cccc(N=c2[n-]nc(S[C@@H](C)C(=O)C3CC3)s2)c1C ZINC000539511747 1036838112 /nfs/dbraw/zinc/83/81/12/1036838112.db2.gz ITXGZKNWKUKSQH-NSHDSACASA-N -1 0 333.482 3.780 20 0 EHADRM C[C@@H](NC(=O)c1ccc(SCc2ccccc2)cc1)[C@@H](C)C(=O)[O-] ZINC000263437333 1036914078 /nfs/dbraw/zinc/91/40/78/1036914078.db2.gz LSGGEVAYVPLBSR-ZIAGYGMSSA-N -1 0 343.448 3.818 20 0 EHADRM CCOc1cc(Br)ccc1NC1CCC(C(=O)[O-])CC1 ZINC000263442035 1036921375 /nfs/dbraw/zinc/92/13/75/1036921375.db2.gz DSZSHFXJOWEJGI-UHFFFAOYSA-N -1 0 342.233 3.903 20 0 EHADRM C[C@H]1CC[C@@]2(CCN(C(=O)N=c3[n-]nc(-c4ccsc4)s3)C2)C1 ZINC000541972618 1036923645 /nfs/dbraw/zinc/92/36/45/1036923645.db2.gz NICKFYVSUSCOBF-MEDUHNTESA-N -1 0 348.497 3.733 20 0 EHADRM Cc1c2nc([N-]S(=O)(=O)c3cccc(F)c3)sc2ccc1F ZINC000464908413 1036974398 /nfs/dbraw/zinc/97/43/98/1036974398.db2.gz BEMYKSGGORQKSO-UHFFFAOYSA-N -1 0 340.376 3.684 20 0 EHADRM Cc1ccc(NCc2ccc(C(=O)[O-])cc2)c(OC[C@@H]2CCCO2)c1 ZINC000263508451 1037020802 /nfs/dbraw/zinc/02/08/02/1037020802.db2.gz XXPXEAUFRFCVKY-KRWDZBQOSA-N -1 0 341.407 3.863 20 0 EHADRM C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[N-]OCCC(F)(F)F ZINC000162858127 1037058572 /nfs/dbraw/zinc/05/85/72/1037058572.db2.gz CQRRTNQYXYQVRC-SSDOTTSWSA-N -1 0 346.132 3.761 20 0 EHADRM CCCC[C@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1ccc(OC)cc1 ZINC000590797040 1037064203 /nfs/dbraw/zinc/06/42/03/1037064203.db2.gz SWKWBAMCXIFCAF-SQNIBIBYSA-N -1 0 345.439 3.710 20 0 EHADRM c1sc(-c2ccccc2)nc1CN=c1[n-]nc(CC2CCCC2)o1 ZINC000539693146 1037084288 /nfs/dbraw/zinc/08/42/88/1037084288.db2.gz XARSDERBXSSJMO-UHFFFAOYSA-N -1 0 340.452 3.960 20 0 EHADRM FC(F)Oc1cccc(CN=c2[n-]nc(CC3CCCCC3)o2)c1 ZINC000539693683 1037084427 /nfs/dbraw/zinc/08/44/27/1037084427.db2.gz KRKHTJZSYRKXMA-UHFFFAOYSA-N -1 0 337.370 3.828 20 0 EHADRM CCC(CC)c1n[n-]c(=NCc2cn3cc(Cl)ccc3n2)s1 ZINC000539709144 1037098281 /nfs/dbraw/zinc/09/82/81/1037098281.db2.gz VZSYCINJRRJQAS-UHFFFAOYSA-N -1 0 335.864 3.777 20 0 EHADRM O=S(=O)([N-]c1n[nH]c2ccccc21)c1cc(Cl)sc1Cl ZINC000054433202 1037130793 /nfs/dbraw/zinc/13/07/93/1037130793.db2.gz AYLRSTXPPGWZPW-UHFFFAOYSA-N -1 0 348.236 3.732 20 0 EHADRM Cc1nc2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc2s1 ZINC000008107051 1037182540 /nfs/dbraw/zinc/18/25/40/1037182540.db2.gz IUNHAIHBNTXQPT-UHFFFAOYSA-N -1 0 340.376 3.684 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)N2CCCCC[C@@H]2c2ccco2)c1 ZINC000666561757 1037211681 /nfs/dbraw/zinc/21/16/81/1037211681.db2.gz DGCNGBHWDCNSCV-MRXNPFEDSA-N -1 0 342.395 3.805 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)Cc1coc2cc(C)c(C(C)C)cc12 ZINC000089287484 1037211895 /nfs/dbraw/zinc/21/18/95/1037211895.db2.gz SFZKXVMGCITUBZ-UHFFFAOYSA-N -1 0 335.425 3.879 20 0 EHADRM O=C([O-])CCCCNC(=O)NC[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000666550768 1037216323 /nfs/dbraw/zinc/21/63/23/1037216323.db2.gz LDLCMLLMZZPFCA-IRXDYDNUSA-N -1 0 332.444 3.515 20 0 EHADRM COc1ccc([C@H](C)N=c2[n-]nc(Cc3ccccc3)s2)cc1 ZINC000542281857 1037242506 /nfs/dbraw/zinc/24/25/06/1037242506.db2.gz KAPRSDGLNQPKFE-ZDUSSCGKSA-N -1 0 325.437 3.733 20 0 EHADRM O=C(Nc1ccc(Br)cc1)c1cc(F)c([O-])c(F)c1 ZINC000177012968 1037322210 /nfs/dbraw/zinc/32/22/10/1037322210.db2.gz WLCHBQLVPLPIJD-UHFFFAOYSA-N -1 0 328.112 3.685 20 0 EHADRM CC(C)C[C@H](C(=O)NCCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000659130388 1037336589 /nfs/dbraw/zinc/33/65/89/1037336589.db2.gz BMYNNZXVPZHKEV-HNNXBMFYSA-N -1 0 325.836 3.841 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000659136718 1037347225 /nfs/dbraw/zinc/34/72/25/1037347225.db2.gz CZLJPXVQUAJTMV-ZFWWWQNUSA-N -1 0 343.354 3.665 20 0 EHADRM COc1cccc(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1OC(C)C ZINC000659137263 1037353753 /nfs/dbraw/zinc/35/37/53/1037353753.db2.gz WBZKWSXWYCYZGY-UHFFFAOYSA-N -1 0 343.379 3.741 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@H]1CC[C@H](C3CCC3)CC1)CC2 ZINC000659142473 1037364203 /nfs/dbraw/zinc/36/42/03/1037364203.db2.gz UKFMHYHUHHGAIU-JCNLHEQBSA-N -1 0 341.451 3.876 20 0 EHADRM COC(=O)c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])s1 ZINC000539932099 1037369189 /nfs/dbraw/zinc/36/91/89/1037369189.db2.gz REBLMWQRLLNOMY-UHFFFAOYSA-N -1 0 346.191 3.799 20 0 EHADRM CCc1cccc(C(=O)N=c2[nH]n(C3CCCCC3)cc2C)c1[O-] ZINC000542423691 1037373882 /nfs/dbraw/zinc/37/38/82/1037373882.db2.gz NHYSTLNJBCNAPW-UHFFFAOYSA-N -1 0 327.428 3.639 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)c2cc3cc(Cl)ccc3s2)C1 ZINC000659159910 1037383653 /nfs/dbraw/zinc/38/36/53/1037383653.db2.gz CXCKFCRYZVBCBV-INIZCTEOSA-N -1 0 337.828 3.882 20 0 EHADRM CN(C(=O)N=c1ncn(C(C)(C)C)[n-]1)C1CCC(C(C)(C)C)CC1 ZINC000542435907 1037391645 /nfs/dbraw/zinc/39/16/45/1037391645.db2.gz RDOSXPCHLUIBID-UHFFFAOYSA-N -1 0 335.496 3.524 20 0 EHADRM CCOc1ccc(NS(=O)(=O)c2ccc(CC)s2)c(F)c1 ZINC000414403683 1037398015 /nfs/dbraw/zinc/39/80/15/1037398015.db2.gz HJBFNEKKHAHLMF-UHFFFAOYSA-N -1 0 329.418 3.649 20 0 EHADRM CSc1c(F)cccc1NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000659166247 1037399581 /nfs/dbraw/zinc/39/95/81/1037399581.db2.gz IBHAMEDLJARLCD-UHFFFAOYSA-N -1 0 325.405 3.767 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)C(C)(C)Cc2ccccc2)n1 ZINC000659188444 1037441149 /nfs/dbraw/zinc/44/11/49/1037441149.db2.gz UCHPWDRJDIDERD-HNNXBMFYSA-N -1 0 343.427 3.516 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3cccc(F)c3o2)[C@@H]2CCCC[C@@H]12 ZINC000659190572 1037444378 /nfs/dbraw/zinc/44/43/78/1037444378.db2.gz BVUHOVJSRMHVAU-GZBFAFLISA-N -1 0 345.370 3.677 20 0 EHADRM CCc1ccc(CCC(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)cc1 ZINC000659194380 1037465383 /nfs/dbraw/zinc/46/53/83/1037465383.db2.gz MDIRLIBAELCUHN-CEXWTWQISA-N -1 0 343.467 3.674 20 0 EHADRM Cc1cc(C)cc(CCC(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)c1 ZINC000659194187 1037465893 /nfs/dbraw/zinc/46/58/93/1037465893.db2.gz SDLYQUGMIBPBAA-GBESFXJTSA-N -1 0 343.467 3.728 20 0 EHADRM CC[C@H](CC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1)c1ccc(C)cc1 ZINC000659203139 1037476918 /nfs/dbraw/zinc/47/69/18/1037476918.db2.gz CDHLVCQFAJYQQI-CQSZACIVSA-N -1 0 343.427 3.534 20 0 EHADRM O=C([O-])C[C@H](CNC(=O)c1cc(Cl)cc(C(F)(F)F)c1)C1CC1 ZINC000659210151 1037479817 /nfs/dbraw/zinc/47/98/17/1037479817.db2.gz RVDZAFSXRRGDAA-SNVBAGLBSA-N -1 0 349.736 3.590 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)NCCC1=CCCCC1 ZINC000573424157 1037492087 /nfs/dbraw/zinc/49/20/87/1037492087.db2.gz DMMCFTOIXNGUEU-HNNXBMFYSA-N -1 0 330.428 3.562 20 0 EHADRM CC[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2S[C@@H](C)C(=O)[O-])C1 ZINC000659216049 1037493227 /nfs/dbraw/zinc/49/32/27/1037493227.db2.gz VATOOXVCJIAJPT-HZSPNIEDSA-N -1 0 335.469 3.903 20 0 EHADRM CCCc1cc(NC(=O)c2c([O-])cc(Cl)cc2Cl)n(C)n1 ZINC000089396452 1037533387 /nfs/dbraw/zinc/53/33/87/1037533387.db2.gz JLBBWQWALCOKBV-UHFFFAOYSA-N -1 0 328.199 3.637 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)CSc1ccc2ccccc2c1 ZINC000659235937 1037551081 /nfs/dbraw/zinc/55/10/81/1037551081.db2.gz RDBNYQMCYGTSFX-VQIMIIECSA-N -1 0 343.448 3.692 20 0 EHADRM Cc1ccc(O)c(C(=O)Nc2ccccc2-c2nncn2C(C)C)c1 ZINC000177484161 1037555327 /nfs/dbraw/zinc/55/53/27/1037555327.db2.gz TYWUETDHEZWZGP-UHFFFAOYSA-N -1 0 336.395 3.792 20 0 EHADRM CC(C)[C@H](Sc1ccccc1)C(=O)N[C@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000659238048 1037566756 /nfs/dbraw/zinc/56/67/56/1037566756.db2.gz MEDCBKVRXNFZLM-RLFYNMQTSA-N -1 0 335.469 3.563 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)N[C@@H]1CCC[C@]1(C)C(=O)[O-] ZINC000659241833 1037567971 /nfs/dbraw/zinc/56/79/71/1037567971.db2.gz XYQRAVZHUAINEW-CJNGLKHVSA-N -1 0 341.860 3.825 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)Nc3csc4ccccc34)cc2=O)cc1 ZINC000491574317 1037568915 /nfs/dbraw/zinc/56/89/15/1037568915.db2.gz MBTOXFPANBXJKR-UHFFFAOYSA-N -1 0 349.415 3.941 20 0 EHADRM O=S(=O)([N-]c1cccc2cc[nH]c21)c1ccc(F)c2ncccc12 ZINC000547499595 1037573585 /nfs/dbraw/zinc/57/35/85/1037573585.db2.gz MCSMBTGECLQTEJ-UHFFFAOYSA-N -1 0 341.367 3.656 20 0 EHADRM C[C@@H](CC(=O)[O-])N(C)C(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1 ZINC000493723510 1037581700 /nfs/dbraw/zinc/58/17/00/1037581700.db2.gz VFLWOCGMZKWRHE-DNQSNQRASA-N -1 0 349.736 3.694 20 0 EHADRM Cc1cc(OCc2ccccc2)ccc1NC(=O)CCCC(=O)[O-] ZINC000691064405 1037703940 /nfs/dbraw/zinc/70/39/40/1037703940.db2.gz QLWHDMLIHQXJDT-UHFFFAOYSA-N -1 0 327.380 3.767 20 0 EHADRM CC(C)(C)OCc1ccccc1C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000540233325 1037730545 /nfs/dbraw/zinc/73/05/45/1037730545.db2.gz KUQQQRIBPWQPHB-UHFFFAOYSA-N -1 0 347.484 3.825 20 0 EHADRM Cc1cccc(C)c1CCNC(=O)c1ccc(Br)c(O)c1 ZINC000493954885 1037744188 /nfs/dbraw/zinc/74/41/88/1037744188.db2.gz OJXMDKZWYDAPQA-UHFFFAOYSA-N -1 0 348.240 3.744 20 0 EHADRM COC(=O)Nc1ccc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)cc1 ZINC000493963698 1037750592 /nfs/dbraw/zinc/75/05/92/1037750592.db2.gz PIBWNLOQSDOVRH-UHFFFAOYSA-N -1 0 343.364 3.547 20 0 EHADRM CC(C)[C@H]([N-]S(=O)(=O)c1cscc1C(F)F)C(F)(F)F ZINC000914423944 1037830455 /nfs/dbraw/zinc/83/04/55/1037830455.db2.gz OSBFVODOBKFHHZ-QMMMGPOBSA-N -1 0 337.335 3.551 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)/C=C\c2ccnc3ccccc23)c1 ZINC000492005224 1037855925 /nfs/dbraw/zinc/85/59/25/1037855925.db2.gz TYRXPPBZECXDQJ-KTKRTIGZSA-N -1 0 346.386 3.904 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)Cc2cccc3ccccc32)c2ccccc21 ZINC000669436702 1037862800 /nfs/dbraw/zinc/86/28/00/1037862800.db2.gz BWCOKHJNPLQGRF-LJQANCHMSA-N -1 0 345.398 3.987 20 0 EHADRM C[C@H](CC(=O)NCC1(C(=O)[O-])CCC1)c1ccccc1C(F)(F)F ZINC000532612140 1037918887 /nfs/dbraw/zinc/91/88/87/1037918887.db2.gz YJVZUWZJRVALEX-LLVKDONJSA-N -1 0 343.345 3.570 20 0 EHADRM C[C@@H](Oc1cccc(/C=C/C(=O)c2ccc(N(C)C)cc2)c1)C(=O)[O-] ZINC000058464721 1037938301 /nfs/dbraw/zinc/93/83/01/1037938301.db2.gz DKBQCPKUJWXMMK-WEKMIXOTSA-N -1 0 339.391 3.501 20 0 EHADRM Cc1ccsc1C(=O)/C(C#N)=C\c1cccc(OCCC(=O)[O-])c1 ZINC000058464992 1037938319 /nfs/dbraw/zinc/93/83/19/1037938319.db2.gz CHHHGYXQESKWHN-ZROIWOOFSA-N -1 0 341.388 3.700 20 0 EHADRM Cc1ccccc1CC(C)(C)NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000183560049 1037955703 /nfs/dbraw/zinc/95/57/03/1037955703.db2.gz WPHZTMHKXZKJJK-UHFFFAOYSA-N -1 0 337.341 3.869 20 0 EHADRM Cc1ccc(C[C@@H]2CCCN2C(=O)c2cc(F)c(F)c([O-])c2F)cc1 ZINC000183617901 1037957947 /nfs/dbraw/zinc/95/79/47/1037957947.db2.gz CYCIDKSRKJWQQH-ZDUSSCGKSA-N -1 0 349.352 3.965 20 0 EHADRM O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)c1cc(F)c([O-])c(Cl)c1 ZINC000378130290 1037978368 /nfs/dbraw/zinc/97/83/68/1037978368.db2.gz MGFYMEWYWQNSBY-CZUORRHYSA-N -1 0 349.789 3.835 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2ccoc2)cc1Cc1ccccc1 ZINC000506579332 1037979230 /nfs/dbraw/zinc/97/92/30/1037979230.db2.gz OVNIXZQBLDGXES-UHFFFAOYSA-N -1 0 343.404 3.680 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cccc(C(F)F)c2)cnc1Cl ZINC000780398203 1038037195 /nfs/dbraw/zinc/03/71/95/1038037195.db2.gz KXRQZTPOYVOZEH-UHFFFAOYSA-N -1 0 332.759 3.782 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)/C=C\c1ccc(Cl)c(C(F)(F)F)c1 ZINC000492184568 1038071074 /nfs/dbraw/zinc/07/10/74/1038071074.db2.gz VEQVTMYZZBQUGS-ALCCZGGFSA-N -1 0 349.736 3.695 20 0 EHADRM c1ccc(-c2nc(=N[C@H](c3ccccc3)[C@H]3CCOC3)s[n-]2)cc1 ZINC000540596495 1038129878 /nfs/dbraw/zinc/12/98/78/1038129878.db2.gz BHXQHRSYESHAIV-DLBZAZTESA-N -1 0 337.448 3.817 20 0 EHADRM C[C@@H]1CCCCCN1C(=O)c1cc(F)cc(Br)c1[O-] ZINC000416164806 1038262413 /nfs/dbraw/zinc/26/24/13/1038262413.db2.gz BJOLTKQWEUNCGC-SECBINFHSA-N -1 0 330.197 3.699 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C/C=C\c1ccc(F)cc1)C1CCCCC1 ZINC000538514770 1038354950 /nfs/dbraw/zinc/35/49/50/1038354950.db2.gz RBYUFGUHGUTKKB-VGOKWCNXSA-N -1 0 333.403 3.769 20 0 EHADRM CCCCCc1n[n-]c(=NCc2nccn2Cc2ccccc2)s1 ZINC000538608970 1038435595 /nfs/dbraw/zinc/43/55/95/1038435595.db2.gz OKURBDWLNJIWPY-UHFFFAOYSA-N -1 0 341.484 3.550 20 0 EHADRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccccc1Sc1ccccc1 ZINC000181942634 1038513302 /nfs/dbraw/zinc/51/33/02/1038513302.db2.gz DYEKBBFPNZNLHA-CYBMUJFWSA-N -1 0 349.477 3.696 20 0 EHADRM COc1cc(NC(=O)c2ccc(F)cc2[O-])ccc1Br ZINC000228311656 1038529946 /nfs/dbraw/zinc/52/99/46/1038529946.db2.gz ZVEDNJOOUGWJHE-UHFFFAOYSA-N -1 0 340.148 3.555 20 0 EHADRM Cc1ccc2cc(C(=O)N(CCC(=O)[O-])Cc3ccccc3)[nH]c2c1 ZINC000590411212 1038584827 /nfs/dbraw/zinc/58/48/27/1038584827.db2.gz ZRBQRCYRVNOFNC-UHFFFAOYSA-N -1 0 336.391 3.593 20 0 EHADRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc2cccc(C)c2o1 ZINC000146971145 1038697164 /nfs/dbraw/zinc/69/71/64/1038697164.db2.gz LLDODVIEGLTLIM-OAHLLOKOSA-N -1 0 326.396 3.760 20 0 EHADRM C[C@H](c1ccc(C(=O)N2[C@@H](C)CCC[C@H]2C(=O)[O-])cc1)C(F)(F)F ZINC000905273627 1038781370 /nfs/dbraw/zinc/78/13/70/1038781370.db2.gz QTWKZITYHCOCJC-WDMOLILDSA-N -1 0 343.345 3.820 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cccc3ccsc32)[C@H]2CCC[C@@H]21 ZINC000910239200 1038784443 /nfs/dbraw/zinc/78/44/43/1038784443.db2.gz FFQWDSNUHJZWTM-NFAWXSAZSA-N -1 0 329.421 3.617 20 0 EHADRM C/C=C/C[C@@H]1CCCN(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])C1 ZINC000910256062 1038790741 /nfs/dbraw/zinc/79/07/41/1038790741.db2.gz VTZQEGVANIJWHU-BAABZTOOSA-N -1 0 340.423 3.613 20 0 EHADRM Cn1cc(CC(=O)Nc2cc(Cl)c([O-])cc2F)c2ccccc21 ZINC000554034624 1038841083 /nfs/dbraw/zinc/84/10/83/1038841083.db2.gz YRPXIZPKQUUAQB-UHFFFAOYSA-N -1 0 332.762 3.858 20 0 EHADRM CCC(=CC(=O)N1CCC(c2nc(C)c(C(=O)[O-])s2)CC1)CC ZINC000910353574 1038876340 /nfs/dbraw/zinc/87/63/40/1038876340.db2.gz DLLPZJVLAXSYSH-UHFFFAOYSA-N -1 0 336.457 3.602 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N[C@@H](C)Cc2cccs2)s1 ZINC000479915423 1038893083 /nfs/dbraw/zinc/89/30/83/1038893083.db2.gz GBSLMSFEFRUIDF-JTQLQIEISA-N -1 0 338.502 3.678 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)Cc1c[nH]c2cccc(Cl)c12)C1CCCC1 ZINC000910566995 1038967856 /nfs/dbraw/zinc/96/78/56/1038967856.db2.gz KGFMIDUFSAYHQI-OAHLLOKOSA-N -1 0 348.830 3.514 20 0 EHADRM C[C@H](CC(=O)N[C@@H](CC(=O)[O-])C1CCCC1)c1c[nH]c2ccccc21 ZINC000910559531 1038976241 /nfs/dbraw/zinc/97/62/41/1038976241.db2.gz LJFFSRDEXIXMTC-ACJLOTCBSA-N -1 0 342.439 3.811 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1oc(C(F)F)cc1C ZINC000910624232 1038990041 /nfs/dbraw/zinc/99/00/41/1038990041.db2.gz QKPWFDUXULHMEJ-UHFFFAOYSA-N -1 0 339.294 3.875 20 0 EHADRM Cc1cc(C)c2cc(NC(=O)C34CCC(C(=O)[O-])(CC3)C4)ccc2n1 ZINC000910618344 1038992474 /nfs/dbraw/zinc/99/24/74/1038992474.db2.gz GMOZPQNRFFOQMG-UHFFFAOYSA-N -1 0 338.407 3.825 20 0 EHADRM CC(C)(C)c1ccc(C(=O)Nc2nc(CCC(=O)[O-])cs2)s1 ZINC000910644733 1038999573 /nfs/dbraw/zinc/99/95/73/1038999573.db2.gz IHDBMIWGQLPXAM-UHFFFAOYSA-N -1 0 338.454 3.772 20 0 EHADRM CC[C@@H](C)n1ncc(NC(=O)CC2CCC(C(=O)[O-])CC2)c1C1CC1 ZINC000910648328 1039002673 /nfs/dbraw/zinc/00/26/73/1039002673.db2.gz ICAGLIAXVCEBMF-DNOWBOINSA-N -1 0 347.459 3.951 20 0 EHADRM CCOC(=O)c1ncc(Nc2ccc(C(=O)[O-])c(C)c2)cc1Cl ZINC001211652669 1039016149 /nfs/dbraw/zinc/01/61/49/1039016149.db2.gz KIRNBCHOBUUUSZ-UHFFFAOYSA-N -1 0 334.759 3.662 20 0 EHADRM CC(C)c1sc(NC(=O)c2csc(C3CC3)n2)nc1C(=O)[O-] ZINC000910698662 1039025065 /nfs/dbraw/zinc/02/50/65/1039025065.db2.gz FPPULOOWUIKKJR-UHFFFAOYSA-N -1 0 337.426 3.551 20 0 EHADRM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1nc2ccccc2[nH]1 ZINC000348999389 1039027074 /nfs/dbraw/zinc/02/70/74/1039027074.db2.gz CQDIUIOANYDTDQ-UHFFFAOYSA-N -1 0 345.355 3.557 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)[C@@H]2CCCC3(CC3)C2)nc1C(=O)[O-] ZINC000910720728 1039030392 /nfs/dbraw/zinc/03/03/92/1039030392.db2.gz LYIONBDZSGSJDG-CHWSQXEVSA-N -1 0 348.468 3.784 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910733150 1039041094 /nfs/dbraw/zinc/04/10/94/1039041094.db2.gz IKVUEURYHIDAKH-UHFFFAOYSA-N -1 0 348.428 3.529 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CCCCC3)cc1F ZINC000195575411 1039050138 /nfs/dbraw/zinc/05/01/38/1039050138.db2.gz JKSMVKKCCQQUQU-UHFFFAOYSA-N -1 0 340.445 3.660 20 0 EHADRM O=C([O-])c1cc(NCc2nccn2C2CC2)ccc1N1CCCCC1 ZINC000905718107 1039050530 /nfs/dbraw/zinc/05/05/30/1039050530.db2.gz HJGOPBSLRKBVHC-UHFFFAOYSA-N -1 0 340.427 3.519 20 0 EHADRM CC(C)[C@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])CC1 ZINC000500613728 1039063112 /nfs/dbraw/zinc/06/31/12/1039063112.db2.gz WUQFXQFXVATTMA-AWEZNQCLSA-N -1 0 345.418 3.615 20 0 EHADRM CCC[C@H](C)CC(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000237004939 1039066351 /nfs/dbraw/zinc/06/63/51/1039066351.db2.gz TWUARUWYVZMBMA-IINYFYTJSA-N -1 0 329.799 3.937 20 0 EHADRM Cc1sc(NC(=O)c2scnc2C2CCCC2)nc1C(=O)[O-] ZINC000910780432 1039085458 /nfs/dbraw/zinc/08/54/58/1039085458.db2.gz FLOCFPQWDRZYLM-UHFFFAOYSA-N -1 0 337.426 3.516 20 0 EHADRM Cc1cccc2sc(C(=O)N3CC[C@H]4[C@@H](C3)[C@H]4C(=O)[O-])c(Cl)c21 ZINC000910841059 1039111219 /nfs/dbraw/zinc/11/12/19/1039111219.db2.gz LKELPLRNJLRELM-CWSCBRNRSA-N -1 0 349.839 3.656 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)NCC(C)(C)CC(=O)[O-])c1 ZINC000910828927 1039119633 /nfs/dbraw/zinc/11/96/33/1039119633.db2.gz GWIMORCPAVINOI-CQSZACIVSA-N -1 0 335.444 3.586 20 0 EHADRM CCN(C(=O)c1cnn(CCC(C)C)c1C)c1cccc(C(=O)[O-])c1 ZINC000910969442 1039172059 /nfs/dbraw/zinc/17/20/59/1039172059.db2.gz XIFXJAGGVVMYCX-UHFFFAOYSA-N -1 0 343.427 3.603 20 0 EHADRM CCN(C(=O)[C@@H]1C[C@@H]1c1ccccc1OC)c1cccc(C(=O)[O-])c1 ZINC000910972370 1039174703 /nfs/dbraw/zinc/17/47/03/1039174703.db2.gz WEUBQMKXQZPZHN-IAGOWNOFSA-N -1 0 339.391 3.550 20 0 EHADRM Cc1cc(F)ccc1[C@H](C)NC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000910986380 1039182203 /nfs/dbraw/zinc/18/22/03/1039182203.db2.gz LJUCKMZUPGWAKP-MDAWKPQNSA-N -1 0 333.403 3.737 20 0 EHADRM CC(C)CCCCCC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)CC1 ZINC000911017394 1039187400 /nfs/dbraw/zinc/18/74/00/1039187400.db2.gz BRYPWDLLMYQQNV-UHFFFAOYSA-N -1 0 337.382 3.849 20 0 EHADRM O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2(C3CCCCC3)CC2)CC1 ZINC000911023349 1039188665 /nfs/dbraw/zinc/18/86/65/1039188665.db2.gz OCVUWDPRJRUTJY-UHFFFAOYSA-N -1 0 347.377 3.603 20 0 EHADRM CC1(C)C[C@@H](c2ccccc2)CN1C(=O)c1cccc(CC(=O)[O-])c1 ZINC000911059135 1039216520 /nfs/dbraw/zinc/21/65/20/1039216520.db2.gz HULORSHAKJBWKE-GOSISDBHSA-N -1 0 337.419 3.722 20 0 EHADRM CCNc1ccc(C(=O)[O-])cc1NC(=O)CCCc1csc(C)n1 ZINC000911084104 1039216544 /nfs/dbraw/zinc/21/65/44/1039216544.db2.gz DJFQOQASKVICDC-UHFFFAOYSA-N -1 0 347.440 3.543 20 0 EHADRM C[C@@]1(Cc2ccc(Cl)s2)CCCN1C(=O)CCCCC(=O)[O-] ZINC000911061546 1039220288 /nfs/dbraw/zinc/22/02/88/1039220288.db2.gz JASPOARSPTXULZ-INIZCTEOSA-N -1 0 343.876 3.970 20 0 EHADRM CCNc1ccc(C(=O)[O-])cc1NC(=O)c1oc(SC)cc1C ZINC000911084724 1039220959 /nfs/dbraw/zinc/22/09/59/1039220959.db2.gz SFGKJYZUKYKDKN-UHFFFAOYSA-N -1 0 334.397 3.692 20 0 EHADRM C/C(=C/C(=O)N(CCC(=O)[O-])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000236618286 1039227098 /nfs/dbraw/zinc/22/70/98/1039227098.db2.gz LVXHSWDCFVZVSC-KHPPLWFESA-N -1 0 341.329 3.574 20 0 EHADRM CCNc1ccc(C(=O)[O-])cc1NC(=O)CC(C)(C)C(F)(F)F ZINC000911084983 1039238337 /nfs/dbraw/zinc/23/83/37/1039238337.db2.gz VOUIRYRCNIZVKP-UHFFFAOYSA-N -1 0 332.322 3.734 20 0 EHADRM COc1cccc(SC)c1[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000416945478 1039252840 /nfs/dbraw/zinc/25/28/40/1039252840.db2.gz CGTRLUGNJNDFDU-UHFFFAOYSA-N -1 0 343.495 3.896 20 0 EHADRM CCC[C@](C)(NC(=O)/C=C(/C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000236828615 1039263196 /nfs/dbraw/zinc/26/31/96/1039263196.db2.gz XONNTUCFOJFAAU-SNGWPZLWSA-N -1 0 343.345 3.868 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2C[C@H](C)C[C@H]2c2ccccc2)s1 ZINC000554387526 1039283793 /nfs/dbraw/zinc/28/37/93/1039283793.db2.gz UGPMRFXOSFZQCV-OCCSQVGLSA-N -1 0 330.457 3.528 20 0 EHADRM CC[C@@H](C(=O)N[C@H](C)CCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000236971639 1039287732 /nfs/dbraw/zinc/28/77/32/1039287732.db2.gz JQQFJMMOYVAFKI-ZWNOBZJWSA-N -1 0 331.334 3.569 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1nc2cc(Cl)ccc2n1C ZINC000488591034 1039288641 /nfs/dbraw/zinc/28/86/41/1039288641.db2.gz FHQVXIDHTOYSBM-UHFFFAOYSA-N -1 0 349.843 3.590 20 0 EHADRM Cc1ccc(C(=O)N2CCCCC[C@H]2c2ccncc2)cc1C(=O)[O-] ZINC000911235076 1039304760 /nfs/dbraw/zinc/30/47/60/1039304760.db2.gz WQHCLYGDIGFVTE-SFHVURJKSA-N -1 0 338.407 3.846 20 0 EHADRM CC/C=C(\C)C(=O)N(Cc1ccoc1C(=O)[O-])[C@@H](C)c1ccccn1 ZINC000911329075 1039323098 /nfs/dbraw/zinc/32/30/98/1039323098.db2.gz CGLRZJBQTDMJRC-GUNGLEHYSA-N -1 0 342.395 3.819 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000364003820 1039340741 /nfs/dbraw/zinc/34/07/41/1039340741.db2.gz PDHCKJSUXPNZOK-NSHDSACASA-N -1 0 337.753 3.954 20 0 EHADRM Cc1nc(-c2ccccc2NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cs1 ZINC000911373720 1039345155 /nfs/dbraw/zinc/34/51/55/1039345155.db2.gz IHTRDPDXNOJWIS-OLZOCXBDSA-N -1 0 344.436 3.948 20 0 EHADRM CC[C@H](c1ccncc1)N(CC)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000911416119 1039347098 /nfs/dbraw/zinc/34/70/98/1039347098.db2.gz JKYPPJWDHQSTTR-MRXNPFEDSA-N -1 0 332.444 3.806 20 0 EHADRM Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])c(C)n1 ZINC000911398773 1039353874 /nfs/dbraw/zinc/35/38/74/1039353874.db2.gz LDKHBLLSGGOQGY-KRWDZBQOSA-N -1 0 342.370 3.513 20 0 EHADRM Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)s1 ZINC000237611280 1039371548 /nfs/dbraw/zinc/37/15/48/1039371548.db2.gz FHOCZOCIPAOHIW-GFCCVEGCSA-N -1 0 341.791 3.795 20 0 EHADRM C[C@@H](N=c1nc(-c2ccccc2)[n-]s1)[C@@H]1OCCc2sccc21 ZINC000488747505 1039381787 /nfs/dbraw/zinc/38/17/87/1039381787.db2.gz OIMAKKKTECKXBV-ABAIWWIYSA-N -1 0 343.477 3.803 20 0 EHADRM CCCC1(C(=O)NOCc2ccc(F)cc2Br)CC1 ZINC000781880662 1039393573 /nfs/dbraw/zinc/39/35/73/1039393573.db2.gz BXXWOCCGVYJCQX-UHFFFAOYSA-N -1 0 330.197 3.716 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000237658398 1039406953 /nfs/dbraw/zinc/40/69/53/1039406953.db2.gz OQYWHDJTPMEMBM-SQNIBIBYSA-N -1 0 341.382 3.570 20 0 EHADRM CO[C@H](C(=O)[O-])c1ccc(-c2ccc(O[C@@H]3CCOC3)c(C)c2)s1 ZINC000906240786 1039425236 /nfs/dbraw/zinc/42/52/36/1039425236.db2.gz FNEKVSSJASTYQU-DYVFJYSZSA-N -1 0 348.420 3.663 20 0 EHADRM CCOc1cccc(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])c1 ZINC000326570060 1039434063 /nfs/dbraw/zinc/43/40/63/1039434063.db2.gz FJKGSOOQOZVXLO-MRXNPFEDSA-N -1 0 334.416 3.630 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)CCC1CCCCCC1)c1ccncc1 ZINC000911618924 1039438031 /nfs/dbraw/zinc/43/80/31/1039438031.db2.gz IYPPSLLYWOXDSC-LJQANCHMSA-N -1 0 332.444 3.638 20 0 EHADRM Cc1cc(F)c(NC(=O)c2cccc([C@@H]3CCOC3)c2)cc1C(=O)[O-] ZINC000911688297 1039459791 /nfs/dbraw/zinc/45/97/91/1039459791.db2.gz GGVAXVNINRPHKA-CQSZACIVSA-N -1 0 343.354 3.589 20 0 EHADRM Cc1cc(F)c(NC(=O)[C@@]2(c3ccccc3)C[C@H](F)C2)cc1C(=O)[O-] ZINC000911690162 1039462431 /nfs/dbraw/zinc/46/24/31/1039462431.db2.gz XTXNASMUNCQJNX-HJGJAMNPSA-N -1 0 345.345 3.841 20 0 EHADRM CCCN(C(=O)c1ccc(NCc2ccsc2)cc1)[C@H](C)C(=O)[O-] ZINC000911709915 1039470106 /nfs/dbraw/zinc/47/01/06/1039470106.db2.gz XZPJNXFTOQLGGJ-CYBMUJFWSA-N -1 0 346.452 3.686 20 0 EHADRM O=C([O-])C1CCN(C(=O)/C=C/c2sc3ccccc3c2Cl)CC1 ZINC000238031469 1039476778 /nfs/dbraw/zinc/47/67/78/1039476778.db2.gz UURPKGLDKVFROI-AATRIKPKSA-N -1 0 349.839 3.891 20 0 EHADRM Cc1c(C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)cnn1C(C)C ZINC000911733625 1039490466 /nfs/dbraw/zinc/49/04/66/1039490466.db2.gz GDAIHAYGGICIGI-UHFFFAOYSA-N -1 0 345.399 3.510 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000238102228 1039491626 /nfs/dbraw/zinc/49/16/26/1039491626.db2.gz RHPADWIVVGJZNJ-KBPBESRZSA-N -1 0 339.382 3.610 20 0 EHADRM CCC[C@@](C)(NC(=O)N[C@H](C)c1cccc2ccccc21)C(=O)[O-] ZINC000554599117 1039524265 /nfs/dbraw/zinc/52/42/65/1039524265.db2.gz VIGKIIZOQIAUKA-BFUOFWGJSA-N -1 0 328.412 3.843 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nc3cc(Cl)ccc3s2)c(C)o1 ZINC000345077815 1039625103 /nfs/dbraw/zinc/62/51/03/1039625103.db2.gz PGVGROLCZXHNCU-UHFFFAOYSA-N -1 0 342.829 3.960 20 0 EHADRM CC[C@@H](NC(=O)N1CCC(C(=O)[O-])CC1)c1cccc2ccccc21 ZINC000898868129 1039639872 /nfs/dbraw/zinc/63/98/72/1039639872.db2.gz ANGQLNHGORLCHX-GOSISDBHSA-N -1 0 340.423 3.797 20 0 EHADRM O=S(=O)([N-]c1cccc2c1CCO2)c1cccc(Cl)c1Cl ZINC000478708906 1039647545 /nfs/dbraw/zinc/64/75/45/1039647545.db2.gz HNLWTUCCZUZBDJ-UHFFFAOYSA-N -1 0 344.219 3.729 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)C2(C(F)F)CCCC2)s[n-]1 ZINC000554737018 1039654016 /nfs/dbraw/zinc/65/40/16/1039654016.db2.gz DXUPJBWSIVMDHW-UHFFFAOYSA-N -1 0 343.424 3.761 20 0 EHADRM CCN(C(=O)c1nn(-c2ccccc2)cc1[O-])c1cccc(C)c1C ZINC000485924878 1039696632 /nfs/dbraw/zinc/69/66/32/1039696632.db2.gz UFOLRZGZTNBFOR-UHFFFAOYSA-N -1 0 335.407 3.861 20 0 EHADRM C[C@@](CC(=O)N1CCC[C@@H]1c1ccsc1)(C(=O)[O-])c1ccccc1 ZINC000324586511 1039710786 /nfs/dbraw/zinc/71/07/86/1039710786.db2.gz CKGFAPNZGRFZRB-APWZRJJASA-N -1 0 343.448 3.844 20 0 EHADRM Cc1cccc(CO[N-]C(=O)C(C)(C)c2ccc(Cl)cc2F)n1 ZINC000898932651 1039735440 /nfs/dbraw/zinc/73/54/40/1039735440.db2.gz QNLMRKXNCNNVJV-UHFFFAOYSA-N -1 0 336.794 3.708 20 0 EHADRM Cc1ccccc1OCCCC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000324645478 1039780817 /nfs/dbraw/zinc/78/08/17/1039780817.db2.gz AJOVJWIKPRCEIW-UHFFFAOYSA-N -1 0 327.380 3.799 20 0 EHADRM CCCc1ccccc1NS(=O)(=O)c1ccc(CC)c(C(=O)[O-])c1 ZINC000152947852 1039815497 /nfs/dbraw/zinc/81/54/97/1039815497.db2.gz PHPMSMGVBFJWAJ-UHFFFAOYSA-N -1 0 347.436 3.701 20 0 EHADRM CC(C)CCn1ncc([N-]S(=O)(=O)c2cccs2)c1C(C)C ZINC000486088156 1039863538 /nfs/dbraw/zinc/86/35/38/1039863538.db2.gz MFMGMMDJPUSKIS-UHFFFAOYSA-N -1 0 341.502 3.915 20 0 EHADRM O=C(N=c1nc(-c2ccsc2)[n-]s1)c1cccn1C1CCCC1 ZINC000489352613 1039878532 /nfs/dbraw/zinc/87/85/32/1039878532.db2.gz IXEPGFAWGMQLEP-UHFFFAOYSA-N -1 0 344.465 3.857 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)N=c2nc(-c3ccsc3)[n-]s2)cc1 ZINC000489349199 1039878941 /nfs/dbraw/zinc/87/89/41/1039878941.db2.gz ABDOTERLRMRVSF-LBPRGKRZSA-N -1 0 343.477 3.814 20 0 EHADRM CCCc1nc(C)c([N-]S(=O)(=O)C[C@H](C)c2ccccc2)s1 ZINC000486130212 1039912739 /nfs/dbraw/zinc/91/27/39/1039912739.db2.gz ZMXQCQLOWJIECD-LBPRGKRZSA-N -1 0 338.498 3.949 20 0 EHADRM COC(=O)c1ccc(Cl)c(/C=C\c2nc(C(=O)[O-])c(C)s2)c1 ZINC000486150277 1039927017 /nfs/dbraw/zinc/92/70/17/1039927017.db2.gz XRTSFUHKTYOPGA-XQRVVYSFSA-N -1 0 337.784 3.760 20 0 EHADRM CCS(=O)(=O)[N-]c1nc(C2CC2)c(Cc2ccc(F)cc2)s1 ZINC000479077404 1039950245 /nfs/dbraw/zinc/95/02/45/1039950245.db2.gz LQSVHBWFNBSRJV-UHFFFAOYSA-N -1 0 340.445 3.512 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2nn(-c3ccccc3)cc2[O-])C1 ZINC000553335191 1039982257 /nfs/dbraw/zinc/98/22/57/1039982257.db2.gz SMVJDFRDQCYAPT-QAPCUYQASA-N -1 0 347.418 3.801 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)N(C(=O)c2nn(-c3ccccc3)cc2[O-])C1 ZINC000553335190 1039983260 /nfs/dbraw/zinc/98/32/60/1039983260.db2.gz SMVJDFRDQCYAPT-MAUKXSAKSA-N -1 0 347.418 3.801 20 0 EHADRM CCc1nc(CNCc2ccccc2OCC(C)C)ccc1C(=O)[O-] ZINC000417555067 1039998059 /nfs/dbraw/zinc/99/80/59/1039998059.db2.gz DLKSUAXDNLVRNO-UHFFFAOYSA-N -1 0 342.439 3.667 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NCc1ncc(C(F)(F)F)s1)c1ccccc1 ZINC000417557353 1039998613 /nfs/dbraw/zinc/99/86/13/1039998613.db2.gz BHCITJBNTDBFSR-NOZJJQNGSA-N -1 0 344.358 3.714 20 0 EHADRM COCc1ccc(CN[C@@]2(C(=O)[O-])C[C@@H](C(C)C)c3ccccc32)o1 ZINC000417577346 1040020832 /nfs/dbraw/zinc/02/08/32/1040020832.db2.gz JDIRCFNRMVSMPK-PXNSSMCTSA-N -1 0 343.423 3.639 20 0 EHADRM CCCc1csc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(C)c2)n1 ZINC000417578190 1040023676 /nfs/dbraw/zinc/02/36/76/1040023676.db2.gz XYALLMFBRRHDJJ-OAHLLOKOSA-N -1 0 338.860 3.973 20 0 EHADRM CC(C)C[C@@H](CNC(=O)C(C)(C)CCCc1ccccc1)C(=O)[O-] ZINC000486293867 1040036209 /nfs/dbraw/zinc/03/62/09/1040036209.db2.gz MZFXUJOOEDWLQD-KRWDZBQOSA-N -1 0 333.472 3.899 20 0 EHADRM Cc1nc(CN[C@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)cs1 ZINC000417575491 1040038738 /nfs/dbraw/zinc/03/87/38/1040038738.db2.gz FXXQRKLAXDUAAF-CYBMUJFWSA-N -1 0 344.358 3.776 20 0 EHADRM CCc1nn(C)c(CC)c1CNc1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000417605604 1040058299 /nfs/dbraw/zinc/05/82/99/1040058299.db2.gz BPSRIQUMOJYMFN-CYBMUJFWSA-N -1 0 329.444 3.735 20 0 EHADRM CC[C@@H](Cc1ccc(NCc2ccc([S@@](C)=O)cc2)cc1)C(=O)[O-] ZINC000417610218 1040062115 /nfs/dbraw/zinc/06/21/15/1040062115.db2.gz MVHUEDZHAFYUJT-UPCLLVRISA-N -1 0 345.464 3.689 20 0 EHADRM CC(=O)Nc1cccc(N=c2[n-]nc(S[C@@H]3CC[C@@H](C)C3)s2)c1 ZINC000555015549 1040062921 /nfs/dbraw/zinc/06/29/21/1040062921.db2.gz GPGPDKZIUQCDNU-QMTHXVAHSA-N -1 0 348.497 3.943 20 0 EHADRM CC(=O)Nc1ccc(CNc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000417608204 1040063417 /nfs/dbraw/zinc/06/34/17/1040063417.db2.gz IGBRIMRUWSWKPA-CYBMUJFWSA-N -1 0 326.396 3.520 20 0 EHADRM COc1ccc(CNc2ccc([C@H](C)CC(=O)[O-])cc2)cc1OC ZINC000417616809 1040067195 /nfs/dbraw/zinc/06/71/95/1040067195.db2.gz ZLUMGCLGDQOBGN-CYBMUJFWSA-N -1 0 329.396 3.894 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1ccccc1C1CCC1 ZINC000907585265 1040102161 /nfs/dbraw/zinc/10/21/61/1040102161.db2.gz BJUJOWRYJTWBEG-UHFFFAOYSA-N -1 0 339.391 3.978 20 0 EHADRM CSc1cccc(N(C)C(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)c1 ZINC000907611784 1040115918 /nfs/dbraw/zinc/11/59/18/1040115918.db2.gz JKXYUKXKQYRYMS-LPHOPBHVSA-N -1 0 341.432 3.630 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2cc3c(cccc3C)o2)n1 ZINC000907704443 1040136554 /nfs/dbraw/zinc/13/65/54/1040136554.db2.gz OJUFOVFQJVFKHN-CYBMUJFWSA-N -1 0 341.367 3.616 20 0 EHADRM Cc1cccc(CN(C)C(=O)N=c2[n-]nc(-c3ccco3)s2)c1C ZINC000432903124 1040140876 /nfs/dbraw/zinc/14/08/76/1040140876.db2.gz MIDHXQBFCBBXAN-UHFFFAOYSA-N -1 0 342.424 3.501 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccc(N2CCCC2)cc1C ZINC000555111039 1040175817 /nfs/dbraw/zinc/17/58/17/1040175817.db2.gz DWRQCRGNDHFKIX-UHFFFAOYSA-N -1 0 336.482 3.766 20 0 EHADRM CC[C@H](C(=O)[O-])[S@](=O)Cc1nc2c(s1)C(C)(C)CC(C)(C)C2 ZINC000899226552 1040187172 /nfs/dbraw/zinc/18/71/72/1040187172.db2.gz UJSAEXVMRNRAGN-RKFFSXRUSA-N -1 0 343.514 3.505 20 0 EHADRM CC[C@@H](C(=O)[O-])[S@](=O)Cc1nc2c(s1)C(C)(C)CC(C)(C)C2 ZINC000899226551 1040188195 /nfs/dbraw/zinc/18/81/95/1040188195.db2.gz UJSAEXVMRNRAGN-KPWVOAKYSA-N -1 0 343.514 3.505 20 0 EHADRM Cc1cc(NC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c(C)c(C)c1O ZINC000907830232 1040193540 /nfs/dbraw/zinc/19/35/40/1040193540.db2.gz JQUFEAAZONJEDC-QRWLVFNGSA-N -1 0 339.391 3.514 20 0 EHADRM C[C@@H](N=c1nc(-c2ccccc2)o[n-]1)c1nc(C(F)(F)F)cs1 ZINC000486491806 1040198500 /nfs/dbraw/zinc/19/85/00/1040198500.db2.gz VZVYTZZGPKCIBA-MRVPVSSYSA-N -1 0 340.330 3.807 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)N(C)C2(C(=O)[O-])CCCCC2)c1 ZINC000584877194 1040200338 /nfs/dbraw/zinc/20/03/38/1040200338.db2.gz VYVGRKOYOYQAPO-CYBMUJFWSA-N -1 0 334.416 3.645 20 0 EHADRM CCC(CC)CC(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000455927247 1040249785 /nfs/dbraw/zinc/24/97/85/1040249785.db2.gz LLOVHGKFNVMTRZ-AWEZNQCLSA-N -1 0 331.334 3.931 20 0 EHADRM COc1ccccc1[C@@H](CN=c1nc(C(C)(C)C)[n-]s1)OC(C)C ZINC000489945887 1040270065 /nfs/dbraw/zinc/27/00/65/1040270065.db2.gz KPCWCWZQCIMFOF-OAHLLOKOSA-N -1 0 349.500 3.844 20 0 EHADRM CCC[C@H](C)CNc1cccc(S(=O)(=O)[N-]c2nccs2)c1 ZINC000512612168 1040270167 /nfs/dbraw/zinc/27/01/67/1040270167.db2.gz DFCUHICRBWNZJC-LBPRGKRZSA-N -1 0 339.486 3.792 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)N(C)c1cccc(CC(=O)[O-])c1 ZINC000908077531 1040288288 /nfs/dbraw/zinc/28/82/88/1040288288.db2.gz JWHKCPMOEVFFEY-CQSZACIVSA-N -1 0 343.448 3.705 20 0 EHADRM CCC1(C(=O)N(C)c2cccc(CC(=O)[O-])c2)CCC(F)(F)CC1 ZINC000908079598 1040289461 /nfs/dbraw/zinc/28/94/61/1040289461.db2.gz KSFDCIFFVBEOCQ-UHFFFAOYSA-N -1 0 339.382 3.882 20 0 EHADRM Cc1ccccc1C1(C(=O)N(C)c2cccc(CC(=O)[O-])c2)CCC1 ZINC000908079067 1040290740 /nfs/dbraw/zinc/29/07/40/1040290740.db2.gz GLGYQSFDPUVOGQ-UHFFFAOYSA-N -1 0 337.419 3.707 20 0 EHADRM CC(C)N(C)c1cccc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000899311912 1040310773 /nfs/dbraw/zinc/31/07/73/1040310773.db2.gz SKIBZOMTLBATJQ-INIZCTEOSA-N -1 0 347.459 3.782 20 0 EHADRM CSCc1cccc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000899311253 1040311002 /nfs/dbraw/zinc/31/10/02/1040311002.db2.gz MULSGMSVIHXHSF-OAHLLOKOSA-N -1 0 336.457 3.801 20 0 EHADRM CCCCN(C(=O)c1nn(-c2ccc(F)cc2)cc1[O-])[C@@H](C)CC ZINC000500016925 1040316000 /nfs/dbraw/zinc/31/60/00/1040316000.db2.gz ISPVIKCOZYCWAU-ZDUSSCGKSA-N -1 0 333.407 3.758 20 0 EHADRM CC(F)(F)c1ccc(CNC(=O)c2cc(F)c(F)c([O-])c2F)cc1 ZINC000490120150 1040362207 /nfs/dbraw/zinc/36/22/07/1040362207.db2.gz SMTNZMYRFLVMSG-UHFFFAOYSA-N -1 0 345.267 3.851 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(C(=O)[O-])cc2F)o1 ZINC000479563853 1040386945 /nfs/dbraw/zinc/38/69/45/1040386945.db2.gz CBJBSBZRDRLAPY-MGAJPHDKSA-N -1 0 343.354 3.983 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCc2ccnc3ccccc23)c(F)c1 ZINC000479564835 1040387952 /nfs/dbraw/zinc/38/79/52/1040387952.db2.gz GJIKHUFCQHKUBK-UHFFFAOYSA-N -1 0 338.338 3.643 20 0 EHADRM COc1cc(NC(=O)N=c2[n-]nc(C(C)(C)C)s2)c(C)cc1C ZINC000431965927 1040399272 /nfs/dbraw/zinc/39/92/72/1040399272.db2.gz RVZZMXMPZITDOH-UHFFFAOYSA-N -1 0 334.445 3.527 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)Cc2cccc(C3CC3)c2)CCC1 ZINC000908338973 1040399654 /nfs/dbraw/zinc/39/96/54/1040399654.db2.gz SLERNUXGXXHESX-UHFFFAOYSA-N -1 0 329.440 3.648 20 0 EHADRM CCC(CC)n1nc(C(=O)NCCCCC2(C(=O)[O-])CCC2)cc1C ZINC000908339051 1040399838 /nfs/dbraw/zinc/39/98/38/1040399838.db2.gz VWZHGDVPVLEGNH-UHFFFAOYSA-N -1 0 349.475 3.708 20 0 EHADRM Cc1cccc(C2(C(=O)N[C@@H]3CC[C@H](CC(=O)[O-])C3)CCCC2)c1 ZINC000908366330 1040415944 /nfs/dbraw/zinc/41/59/44/1040415944.db2.gz CAFHABFNIQHYRS-DOTOQJQBSA-N -1 0 329.440 3.566 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)N[C@@H]2CC[C@H](CC(=O)[O-])C2)cc1 ZINC000908376338 1040420121 /nfs/dbraw/zinc/42/01/21/1040420121.db2.gz UQYLVSDMBJWAJP-OIWWRSOPSA-N -1 0 329.440 3.973 20 0 EHADRM C/C=C/C[C@@H](NC(=O)Nc1cccc(COC(C)(C)C)c1)C(=O)[O-] ZINC000908634389 1040541322 /nfs/dbraw/zinc/54/13/22/1040541322.db2.gz IBJBAXRSDFSWBI-LLYBFZRZSA-N -1 0 334.416 3.543 20 0 EHADRM CCC[C@@]1(C(=O)[O-])CCCN1C(=O)Nc1cccc(C(=O)CC)c1 ZINC000908620419 1040549014 /nfs/dbraw/zinc/54/90/14/1040549014.db2.gz RLFWVAXXCHZHJF-SFHVURJKSA-N -1 0 332.400 3.531 20 0 EHADRM Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)c(Cl)c1C ZINC000908641377 1040570886 /nfs/dbraw/zinc/57/08/86/1040570886.db2.gz FAKUZFDXNPRFPQ-GFCCVEGCSA-N -1 0 337.828 3.964 20 0 EHADRM Cn1cc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c(C2CCCC2)n1 ZINC000908682461 1040571758 /nfs/dbraw/zinc/57/17/58/1040571758.db2.gz CWLMNLHWAJYGCN-UHFFFAOYSA-N -1 0 347.802 3.682 20 0 EHADRM CC(C)(C)CC(C)(C)NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC000908693436 1040579535 /nfs/dbraw/zinc/57/95/35/1040579535.db2.gz MPFJCMZCWPUPOU-UHFFFAOYSA-N -1 0 330.428 3.740 20 0 EHADRM CCC1CCC(N(C)C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])CC1 ZINC000908717911 1040587815 /nfs/dbraw/zinc/58/78/15/1040587815.db2.gz HSPPIKOBFNVFAW-UHFFFAOYSA-N -1 0 342.439 3.836 20 0 EHADRM C[C@]1(CNC(=O)c2cc(F)c([O-])c(Cl)c2)CCOC2(CCC2)C1 ZINC000899488197 1040588766 /nfs/dbraw/zinc/58/87/66/1040588766.db2.gz NQVHIILUYCXOAU-INIZCTEOSA-N -1 0 341.810 3.654 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)N[C@H]1CCSc2ccccc21 ZINC000908699991 1040597681 /nfs/dbraw/zinc/59/76/81/1040597681.db2.gz PSMBDTSBTPGFOR-INIZCTEOSA-N -1 0 341.432 3.671 20 0 EHADRM FC(F)(F)c1cccc(CN=c2[n-]nc(Cc3ccccc3)o2)c1 ZINC000479781490 1040617971 /nfs/dbraw/zinc/61/79/71/1040617971.db2.gz ZZRWHWYULLXJBF-UHFFFAOYSA-N -1 0 333.313 3.713 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)c1 ZINC000913358252 1040756855 /nfs/dbraw/zinc/75/68/55/1040756855.db2.gz WWDMBEUXKOMIBO-AWEZNQCLSA-N -1 0 349.438 3.807 20 0 EHADRM O=C([O-])c1cc(Nc2nc(F)ccc2Br)ccc1F ZINC001175217122 1132597600 /nfs/dbraw/zinc/59/76/00/1132597600.db2.gz MTTBAYIMVXVGFT-UHFFFAOYSA-N -1 0 329.100 3.564 20 0 EHADRM Cc1nc(C2CC2)ccc1C(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1 ZINC000909189484 1040860842 /nfs/dbraw/zinc/86/08/42/1040860842.db2.gz ZULPTSJNDWBNAH-UHFFFAOYSA-N -1 0 349.390 3.559 20 0 EHADRM CCc1c(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)cnn1C1CCCC1 ZINC000909222184 1040880878 /nfs/dbraw/zinc/88/08/78/1040880878.db2.gz CXBIQEGNNPJMFV-UHFFFAOYSA-N -1 0 341.411 3.820 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CC[C@H]([C@H]2CCCO2)C1 ZINC000899627893 1040891436 /nfs/dbraw/zinc/89/14/36/1040891436.db2.gz IUMDOORJLRKALC-YVEFUNNKSA-N -1 0 345.826 3.840 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)NCc2ccc(C(=O)[O-])o2)c1 ZINC000909261460 1040903430 /nfs/dbraw/zinc/90/34/30/1040903430.db2.gz IYCQTKDQBKNPPJ-CYBMUJFWSA-N -1 0 345.395 3.577 20 0 EHADRM CC1(C)COc2ccc(-c3cccc4c3NC(=O)[C@H]4CC(=O)[O-])cc21 ZINC000899641372 1040909527 /nfs/dbraw/zinc/90/95/27/1040909527.db2.gz YISHRNUAMXLVBQ-AWEZNQCLSA-N -1 0 337.375 3.534 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)C[C@@H](C)c2c[nH]c3ccccc32)C1 ZINC000909699291 1040941585 /nfs/dbraw/zinc/94/15/85/1040941585.db2.gz FRWLMIXVSSFIOG-VLIAUNLRSA-N -1 0 342.439 3.621 20 0 EHADRM Cc1ccsc1CCCC(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000909702860 1040943456 /nfs/dbraw/zinc/94/34/56/1040943456.db2.gz LRWLUNWTAAZHOZ-HNNXBMFYSA-N -1 0 349.427 3.503 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000237015754 1040959920 /nfs/dbraw/zinc/95/99/20/1040959920.db2.gz MHRLNMUQERIQNB-YJYMSZOUSA-N -1 0 335.444 3.511 20 0 EHADRM CC(C)(CC(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1)C1CCCCC1 ZINC000909765994 1040996807 /nfs/dbraw/zinc/99/68/07/1040996807.db2.gz XBHRZRJIEMFJOQ-INIZCTEOSA-N -1 0 349.393 3.849 20 0 EHADRM CCCC(=CC(=O)N1CCC(n2ncc(C(=O)[O-])c2C)CC1)CCC ZINC000909820750 1041022755 /nfs/dbraw/zinc/02/27/55/1041022755.db2.gz XIOIMWKIGRBVGJ-UHFFFAOYSA-N -1 0 347.459 3.580 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)Cc2ccc(SC3CC3)cc2)s1 ZINC000909851425 1041026293 /nfs/dbraw/zinc/02/62/93/1041026293.db2.gz RWWGJYXAHZJPKS-UHFFFAOYSA-N -1 0 347.461 3.560 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)CCc2cccc(N(C)C)c2)c1 ZINC000909832821 1041028930 /nfs/dbraw/zinc/02/89/30/1041028930.db2.gz VMAFDHRVAHRFPZ-AWEZNQCLSA-N -1 0 340.423 3.512 20 0 EHADRM CN(C(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1)C1CCCC1 ZINC000481534959 1041031043 /nfs/dbraw/zinc/03/10/43/1041031043.db2.gz OQVCZTKZFGCOOZ-UHFFFAOYSA-N -1 0 336.848 3.687 20 0 EHADRM CCN(C(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1)C1CCC1 ZINC000481539703 1041037061 /nfs/dbraw/zinc/03/70/61/1041037061.db2.gz FQPYLFWFSRPEIO-UHFFFAOYSA-N -1 0 336.848 3.687 20 0 EHADRM COc1cc(NC(=O)[C@H](C(=O)[O-])C(C)C)c(C2CC2)cc1Cl ZINC000909918115 1041053899 /nfs/dbraw/zinc/05/38/99/1041053899.db2.gz MAWPLIJGKGTVLS-CQSZACIVSA-N -1 0 325.792 3.521 20 0 EHADRM CC(C)(CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21)CC(F)(F)F ZINC000909962550 1041082881 /nfs/dbraw/zinc/08/28/81/1041082881.db2.gz OXSNGWNPSZMRBH-FRRDWIJNSA-N -1 0 349.393 3.847 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)N[C@@H](C)c1ccccc1OC(F)F ZINC000899762833 1041091222 /nfs/dbraw/zinc/09/12/22/1041091222.db2.gz XLBOHHWYKORZRW-NWDGAFQWSA-N -1 0 343.370 3.602 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)CCCc2sccc2C)n1 ZINC000909955372 1041094495 /nfs/dbraw/zinc/09/44/95/1041094495.db2.gz SEHUCWXNHHKEPF-CYBMUJFWSA-N -1 0 349.456 3.640 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)Nc1cccc(OC)c1 ZINC000555760376 1041098743 /nfs/dbraw/zinc/09/87/43/1041098743.db2.gz SLTIVEDDZGPNMG-KRWDZBQOSA-N -1 0 342.395 3.765 20 0 EHADRM COc1cc(NC(=O)C[C@@H](C(=O)[O-])c2ccc(C)cc2)c(C)cc1C ZINC000899780433 1041101633 /nfs/dbraw/zinc/10/16/33/1041101633.db2.gz ZYDBJYMWAXITHU-MRXNPFEDSA-N -1 0 341.407 3.817 20 0 EHADRM Cc1coc(-c2ccc(C)c(NC(=O)[C@H]3C[C@@]3(C(=O)[O-])C(C)C)c2)n1 ZINC000899774385 1041110174 /nfs/dbraw/zinc/11/01/74/1041110174.db2.gz RHPGMMNLBDMFNV-AUUYWEPGSA-N -1 0 342.395 3.644 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000910021213 1041141566 /nfs/dbraw/zinc/14/15/66/1041141566.db2.gz GAHXXHJQUNENTR-JCNLHEQBSA-N -1 0 341.382 3.519 20 0 EHADRM CC(C(=O)N1CCC([C@@H](CC(=O)[O-])c2ccccc2)CC1)=C1CCC1 ZINC000910031181 1041144991 /nfs/dbraw/zinc/14/49/91/1041144991.db2.gz CNWZIZCMSPJSPM-IBGZPJMESA-N -1 0 341.451 3.984 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)N(Cc1ccco1)Cc1ccco1 ZINC000899796325 1041149158 /nfs/dbraw/zinc/14/91/58/1041149158.db2.gz JYMQIYCAMWZZTP-CQSZACIVSA-N -1 0 333.384 3.538 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1ccccc1NCC(F)(F)F ZINC000899815088 1041161002 /nfs/dbraw/zinc/16/10/02/1041161002.db2.gz XWDJYPXRJBAMNI-LLVKDONJSA-N -1 0 346.349 3.736 20 0 EHADRM Cc1cc(OC(C)C)ccc1Nc1nc[n-]c(=O)c1Br ZINC001211813147 1041165726 /nfs/dbraw/zinc/16/57/26/1041165726.db2.gz VDCMGFWOLSIRAN-UHFFFAOYSA-N -1 0 338.205 3.784 20 0 EHADRM CCc1ccc(F)cc1C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])cs1 ZINC000910101993 1041190232 /nfs/dbraw/zinc/19/02/32/1041190232.db2.gz JRVFOWSHLZYALB-CQSZACIVSA-N -1 0 348.399 3.520 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])cs1 ZINC000910101000 1041190473 /nfs/dbraw/zinc/19/04/73/1041190473.db2.gz GDJCGLXLGJTXIG-MBNYWOFBSA-N -1 0 336.457 3.721 20 0 EHADRM C/C(=C\C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])cs1)c1cccs1 ZINC000910102626 1041190553 /nfs/dbraw/zinc/19/05/53/1041190553.db2.gz KJDANCYBEFGKNI-OANVXVOSSA-N -1 0 348.449 3.670 20 0 EHADRM Cc1ccc(CC[C@H](C)NC(=O)C[C@@H](C(=O)[O-])c2ccc(C)cc2)o1 ZINC000899831773 1041192682 /nfs/dbraw/zinc/19/26/82/1041192682.db2.gz YVZCVQFCVLIORV-KBXCAEBGSA-N -1 0 343.423 3.592 20 0 EHADRM C[C@H](CC1CCCC1)C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])cs1 ZINC000910113638 1041197453 /nfs/dbraw/zinc/19/74/53/1041197453.db2.gz JLBJJXLZMNSXIW-RISCZKNCSA-N -1 0 336.457 3.721 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000899843897 1041208045 /nfs/dbraw/zinc/20/80/45/1041208045.db2.gz ZRBBHPNQQUQVGX-CVEARBPZSA-N -1 0 333.428 3.831 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccc(OC3CCCC3)cc2)[C@@H](C(=O)[O-])C1 ZINC000555852343 1041226499 /nfs/dbraw/zinc/22/64/99/1041226499.db2.gz DLFVVSGNVUODJI-SUMWQHHRSA-N -1 0 346.427 3.725 20 0 EHADRM COc1cc([C@H](C)NC(=O)C[C@H](C)CC(=O)[O-])cc2ccccc21 ZINC000899855997 1041238208 /nfs/dbraw/zinc/23/82/08/1041238208.db2.gz LWQWTHCIMNMEOU-STQMWFEESA-N -1 0 329.396 3.527 20 0 EHADRM COCc1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000194244139 1041238914 /nfs/dbraw/zinc/23/89/14/1041238914.db2.gz FIHFVOQYZZBACX-UHFFFAOYSA-N -1 0 345.342 3.653 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)/C=C(/C)c1ccc(C(F)(F)F)cc1 ZINC000237027520 1041251406 /nfs/dbraw/zinc/25/14/06/1041251406.db2.gz LESMJLHEVKWSPM-SLWQEBJJSA-N -1 0 343.345 3.868 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCC2(CCSCC2)CC1 ZINC000633940208 1041274983 /nfs/dbraw/zinc/27/49/83/1041274983.db2.gz QMULKHGMSQNKIL-UHFFFAOYSA-N -1 0 345.386 3.559 20 0 EHADRM CO[C@@H](C)c1nc(=Nc2cnn(CCC(C)C)c2C(C)C)s[n-]1 ZINC000509856742 1041331984 /nfs/dbraw/zinc/33/19/84/1041331984.db2.gz VVWNKNMSUZMSKI-LBPRGKRZSA-N -1 0 337.493 3.777 20 0 EHADRM O=C(Nc1ccc(Br)nc1)c1cc(F)c([O-])c(Cl)c1 ZINC000194867670 1041339163 /nfs/dbraw/zinc/33/91/63/1041339163.db2.gz VQDRIPJCVSHJAN-UHFFFAOYSA-N -1 0 345.555 3.595 20 0 EHADRM CC1(C)C[C@H](C(=O)Nc2ccc(F)c(F)c2[O-])c2ccccc2O1 ZINC000412422256 1041382384 /nfs/dbraw/zinc/38/23/84/1041382384.db2.gz JFQAKWAODIVSHG-NSHDSACASA-N -1 0 333.334 3.954 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000237041094 1041425916 /nfs/dbraw/zinc/42/59/16/1041425916.db2.gz QFQAKZWRYYEJAT-SFHVURJKSA-N -1 0 343.448 3.843 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cc(Cl)sc1Cl ZINC000225902306 1041442282 /nfs/dbraw/zinc/44/22/82/1041442282.db2.gz XONVQNDELHWMIF-MRVPVSSYSA-N -1 0 336.240 3.914 20 0 EHADRM CCCC[C@H](NC(=O)c1ccc(OC2CCC2)cc1Cl)C(=O)[O-] ZINC000431983761 1041448349 /nfs/dbraw/zinc/44/83/49/1041448349.db2.gz WSRAEFKAZXSXKL-HNNXBMFYSA-N -1 0 339.819 3.645 20 0 EHADRM CCOCCOc1cc(C)ccc1CN=c1[n-]nc(C(C)(C)C)s1 ZINC000432069440 1041544225 /nfs/dbraw/zinc/54/42/25/1041544225.db2.gz NEDSJKLYRCVIQS-UHFFFAOYSA-N -1 0 349.500 3.593 20 0 EHADRM C[C@]1(NC(=O)Cc2ccc(Cl)cc2Cl)CCCC[C@@H]1C(=O)[O-] ZINC000432104493 1041594060 /nfs/dbraw/zinc/59/40/60/1041594060.db2.gz AFQBNFMLZIKNTN-WBMJQRKESA-N -1 0 344.238 3.686 20 0 EHADRM O=C([O-])C1(CC(=O)N2CCCC[C@H]2CCc2ccccc2)CCC1 ZINC000432125125 1041623653 /nfs/dbraw/zinc/62/36/53/1041623653.db2.gz FFRZFYXZUHBAFN-KRWDZBQOSA-N -1 0 329.440 3.645 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000432129263 1041628460 /nfs/dbraw/zinc/62/84/60/1041628460.db2.gz KGQAXGYCFUVANQ-MRAWALMUSA-N -1 0 337.847 3.668 20 0 EHADRM Cc1cc(Nc2ccc(OC3CCOCC3)cc2)ccc1C(=O)[O-] ZINC001211660834 1041704074 /nfs/dbraw/zinc/70/40/74/1041704074.db2.gz OBLZHOKXMMDXTR-UHFFFAOYSA-N -1 0 327.380 3.995 20 0 EHADRM Cc1nc([C@H](C)NC(=O)c2cc(C)n(C(C)C)c2C)sc1C(=O)[O-] ZINC000236708640 1041803023 /nfs/dbraw/zinc/80/30/23/1041803023.db2.gz CMVBAPWDGNRFGT-NSHDSACASA-N -1 0 349.456 3.640 20 0 EHADRM CCC(CC)(CC(=O)Nc1cccc(NC(=O)C(C)C)c1)C(=O)[O-] ZINC000027056548 1041826563 /nfs/dbraw/zinc/82/65/63/1041826563.db2.gz ZMTXKQJOVCUCGT-UHFFFAOYSA-N -1 0 334.416 3.501 20 0 EHADRM COC(=O)[C@H]1CCc2cc(Nc3ccc(C(=O)[O-])c(C)c3)ccc21 ZINC001211663300 1041852219 /nfs/dbraw/zinc/85/22/19/1041852219.db2.gz CLCYGRASXLYGFE-KRWDZBQOSA-N -1 0 325.364 3.640 20 0 EHADRM CCOC(=O)CCc1cccc(Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001211663472 1041872263 /nfs/dbraw/zinc/87/22/63/1041872263.db2.gz LFVNCYJUNRHODY-UHFFFAOYSA-N -1 0 327.380 3.933 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000044830934 1041992698 /nfs/dbraw/zinc/99/26/98/1041992698.db2.gz NLTUWYPSGCLKRL-SJORKVTESA-N -1 0 329.396 3.614 20 0 EHADRM C[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1ccc(F)cc1F ZINC000184186831 1042203445 /nfs/dbraw/zinc/20/34/45/1042203445.db2.gz CQNWBWXTGCWOIR-ZETCQYMHSA-N -1 0 329.705 3.954 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1c1ccnc2c(Br)cccc21 ZINC000662893029 1042206386 /nfs/dbraw/zinc/20/63/86/1042206386.db2.gz JATNRUYRWWQHCI-WDEREUQCSA-N -1 0 349.228 3.687 20 0 EHADRM O=C(NCC1(c2ccc(F)cc2)CC1)c1cc(F)c([O-])c(Cl)c1 ZINC000184275281 1042394426 /nfs/dbraw/zinc/39/44/26/1042394426.db2.gz LURZUQWXPIXSHY-UHFFFAOYSA-N -1 0 337.753 3.785 20 0 EHADRM CCCN(Cc1oc(-c2ccccc2)nc1C(=O)[O-])CC(F)(F)F ZINC000652396464 1042446609 /nfs/dbraw/zinc/44/66/09/1042446609.db2.gz AEVPDXJBXONYER-UHFFFAOYSA-N -1 0 342.317 3.814 20 0 EHADRM Cc1ccccc1[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2Cl)CCO1 ZINC000652417544 1042467050 /nfs/dbraw/zinc/46/70/50/1042467050.db2.gz UBQKLRNRWQLXNQ-SFHVURJKSA-N -1 0 345.826 3.920 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)c2cc(F)c([O-])c(Cl)c2)s1 ZINC000184427623 1042540715 /nfs/dbraw/zinc/54/07/15/1042540715.db2.gz GNIIWTAJPHXRRZ-QMMMGPOBSA-N -1 0 327.808 3.916 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccc(O[C@H]2CC2(F)F)cc1 ZINC000663261439 1042608354 /nfs/dbraw/zinc/60/83/54/1042608354.db2.gz KJJZZPLJOUBAHF-LBPRGKRZSA-N -1 0 345.392 3.644 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)NCC(C)(C)CC(F)(F)F)C(=O)[O-] ZINC000663270668 1042618587 /nfs/dbraw/zinc/61/85/87/1042618587.db2.gz NLZGKHZOIAFDJX-JTQLQIEISA-N -1 0 340.386 3.544 20 0 EHADRM CCc1nc([N-]S(=O)(=O)c2ccccc2SC)sc1C ZINC000186970294 1042734380 /nfs/dbraw/zinc/73/43/80/1042734380.db2.gz DEWSXVJTOWWORA-UHFFFAOYSA-N -1 0 328.484 3.537 20 0 EHADRM CC(C)c1cccc(OCC(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC000236797411 1042879749 /nfs/dbraw/zinc/87/97/49/1042879749.db2.gz YHZABTBGKIUGJN-DHZHZOJOSA-N -1 0 339.391 3.925 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)C2)c1 ZINC000436652262 1042896774 /nfs/dbraw/zinc/89/67/74/1042896774.db2.gz LKQPRPAFIDPDDA-GHMZBOCLSA-N -1 0 329.318 3.902 20 0 EHADRM CC(C)[C@H](C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC000653332438 1042978644 /nfs/dbraw/zinc/97/86/44/1042978644.db2.gz CEMPUWIJVKPWBN-QYZOEREBSA-N -1 0 337.419 3.856 20 0 EHADRM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H]1Cc2ccccc2S1 ZINC000077882517 1043099472 /nfs/dbraw/zinc/09/94/72/1043099472.db2.gz STPSLWVDBLSZDY-WBMJQRKESA-N -1 0 347.461 3.751 20 0 EHADRM COc1cc(C)c(CN(C)C(=O)c2cc(O)ccc2Cl)cc1OC ZINC000344203774 1043422418 /nfs/dbraw/zinc/42/24/18/1043422418.db2.gz YXIPUNQAVXAFLS-UHFFFAOYSA-N -1 0 349.814 3.643 20 0 EHADRM N#C/C(=C/c1ccc([O-])c(Cl)c1)C(=O)c1ccc2c(c1)OCO2 ZINC000067006423 1043774790 /nfs/dbraw/zinc/77/47/90/1043774790.db2.gz IIPZJZOCFBLOPK-XGICHPGQSA-N -1 0 327.723 3.564 20 0 EHADRM CC(C)[C@H](CNC(=O)Nc1ccccc1Cc1ccccc1)C(=O)[O-] ZINC000327284887 1044292273 /nfs/dbraw/zinc/29/22/73/1044292273.db2.gz VIXZRFNAAPRVTI-KRWDZBQOSA-N -1 0 340.423 3.756 20 0 EHADRM CCc1nc2cc(NC(=O)c3nn(-c4ccccc4)cc3[O-])ccc2o1 ZINC000344818887 1044469530 /nfs/dbraw/zinc/46/95/30/1044469530.db2.gz VIMYWELVQJGHPA-UHFFFAOYSA-N -1 0 348.362 3.534 20 0 EHADRM Cc1ccc(C(=O)N=c2[n-]nc([C@@H]3CCCc4ccccc43)s2)o1 ZINC000432610685 1044490862 /nfs/dbraw/zinc/49/08/62/1044490862.db2.gz DGWXQHVEUUQONR-CQSZACIVSA-N -1 0 339.420 3.582 20 0 EHADRM O=S(=O)([N-]c1nc2ccsc2s1)c1ccc2c(c1)CCC2 ZINC000344977053 1044765407 /nfs/dbraw/zinc/76/54/07/1044765407.db2.gz MBBSYRLQFAORSS-UHFFFAOYSA-N -1 0 336.463 3.647 20 0 EHADRM O=S(=O)(Cc1ccccc1)[N-]c1nc(-c2cccc(F)c2)cs1 ZINC000153531332 1125627419 /nfs/dbraw/zinc/62/74/19/1125627419.db2.gz XRQLDGNIBDBQAN-UHFFFAOYSA-N -1 0 348.424 3.891 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2c(F)cc(F)cc2F)CCCCC1 ZINC000266511385 1125708973 /nfs/dbraw/zinc/70/89/73/1125708973.db2.gz YIAHEKIVGLKJBN-UHFFFAOYSA-N -1 0 329.318 3.858 20 0 EHADRM Cc1cccc2c1CN(C(=O)c1cccc(C(F)(F)F)c1[O-])CC2 ZINC000622556997 1126723099 /nfs/dbraw/zinc/72/30/99/1126723099.db2.gz VQLSKSVVGFKILS-UHFFFAOYSA-N -1 0 335.325 3.918 20 0 EHADRM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2cccc3cccnc32)c1 ZINC000172199893 1126784178 /nfs/dbraw/zinc/78/41/78/1126784178.db2.gz CUHDMDXVOVKJCH-CYBMUJFWSA-N -1 0 342.420 3.743 20 0 EHADRM O=S(=O)(C[C@H]1CCCCO1)Nc1cccc(-c2cccs2)c1 ZINC000172591304 1126800201 /nfs/dbraw/zinc/80/02/01/1126800201.db2.gz FQWGWFXYJLQYKL-OAHLLOKOSA-N -1 0 337.466 3.726 20 0 EHADRM CSC[C@H](C)C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000174924599 1126863868 /nfs/dbraw/zinc/86/38/68/1126863868.db2.gz SPDAUMJVKYZNCG-LURJTMIESA-N -1 0 338.654 3.746 20 0 EHADRM O=C(Nc1cc(Cl)cc(Br)c1[O-])c1cscn1 ZINC000174921172 1126863951 /nfs/dbraw/zinc/86/39/51/1126863951.db2.gz NVNCXMUTAUBUFI-UHFFFAOYSA-N -1 0 333.594 3.517 20 0 EHADRM CO[C@H](C)c1nc(=NCCc2ccc(Cl)cc2Cl)s[n-]1 ZINC000380015361 1126931110 /nfs/dbraw/zinc/93/11/10/1126931110.db2.gz SHNCSSXJPZQAFK-MRVPVSSYSA-N -1 0 332.256 3.629 20 0 EHADRM COc1ccc(Cl)cc1CC(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000325059392 1126936413 /nfs/dbraw/zinc/93/64/13/1126936413.db2.gz SMDRDNZWSCTTRT-WTKPLQERSA-N -1 0 345.782 3.628 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2nc(C)c(Cl)cc2Cl)c1 ZINC000179644190 1127077527 /nfs/dbraw/zinc/07/75/27/1127077527.db2.gz IQYBEJRGTPTFAX-UHFFFAOYSA-N -1 0 349.214 3.945 20 0 EHADRM COc1ccc(F)cc1[N-]S(=O)(=O)c1cccc(C)c1Cl ZINC000180006476 1127109393 /nfs/dbraw/zinc/10/93/93/1127109393.db2.gz MGVDOMYUVWODBT-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(Br)c2C)c(C)o1 ZINC000182792401 1127347617 /nfs/dbraw/zinc/34/76/17/1127347617.db2.gz YHQOLJZYOWVYEH-UHFFFAOYSA-N -1 0 344.230 3.768 20 0 EHADRM Cc1ccccc1-c1nc(=NC2CCC(OC(F)F)CC2)s[n-]1 ZINC000624261152 1127347647 /nfs/dbraw/zinc/34/76/47/1127347647.db2.gz JTKTWJAFXHOHDM-UHFFFAOYSA-N -1 0 339.411 3.898 20 0 EHADRM Cc1cc(F)ccc1CSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000182879958 1127352572 /nfs/dbraw/zinc/35/25/72/1127352572.db2.gz ULHQYZDHWZLTCN-UHFFFAOYSA-N -1 0 334.416 3.804 20 0 EHADRM CCCCO[C@@H]1C[C@@H](NC(=O)c2cc(F)c(F)c([O-])c2F)C1(C)C ZINC000183035587 1127359742 /nfs/dbraw/zinc/35/97/42/1127359742.db2.gz OFFHQMXCZWWWFQ-VXGBXAGGSA-N -1 0 345.361 3.523 20 0 EHADRM CC(C)(C)C[C@@H]([N-]S(=O)(=O)Cc1ccccc1F)C(F)(F)F ZINC000183298447 1127371492 /nfs/dbraw/zinc/37/14/92/1127371492.db2.gz BANYXAIBOCFMTJ-GFCCVEGCSA-N -1 0 341.370 3.612 20 0 EHADRM N=c1[n-]nc(SCc2cc(Cl)ccc2Br)s1 ZINC000381384067 1127483929 /nfs/dbraw/zinc/48/39/29/1127483929.db2.gz LMGRCYXTHWJNMK-UHFFFAOYSA-N -1 0 336.667 3.659 20 0 EHADRM COc1cc(NC(=O)c2ccc(Cl)cc2[O-])c(OC)cc1Cl ZINC000386177640 1127639250 /nfs/dbraw/zinc/63/92/50/1127639250.db2.gz FWMJBVMVBIDDFN-UHFFFAOYSA-N -1 0 342.178 3.969 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCC(F)(F)F)cc1 ZINC000014205634 1127645498 /nfs/dbraw/zinc/64/54/98/1127645498.db2.gz BKILFYXUZSYBKC-UHFFFAOYSA-N -1 0 345.342 3.737 20 0 EHADRM CN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccsc2)C1 ZINC000022056504 1127686850 /nfs/dbraw/zinc/68/68/50/1127686850.db2.gz BAMRQCHNFBCLHO-MDWZMJQESA-N -1 0 336.416 3.981 20 0 EHADRM CC(C)[C@H]1N(C(=O)c2ccc3oc(=O)nc-3[n-]2)CC12CCCCCC2 ZINC000827994832 1127758404 /nfs/dbraw/zinc/75/84/04/1127758404.db2.gz VYHSYZSAKDKBMB-OAHLLOKOSA-N -1 0 343.427 3.749 20 0 EHADRM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1C ZINC000031665939 1127838874 /nfs/dbraw/zinc/83/88/74/1127838874.db2.gz DEAVVWMLTHTWJA-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM O=C([N-]S(=O)(=O)c1cc(Cl)sc1Cl)C1CC=CC1 ZINC000077940592 1127885300 /nfs/dbraw/zinc/88/53/00/1127885300.db2.gz DEEQMINYGIEJEN-UHFFFAOYSA-N -1 0 326.226 3.666 20 0 EHADRM Cc1cc(NC(=O)c2ccc(Br)c([O-])c2)cc2n[nH]cc21 ZINC000347584570 1128121340 /nfs/dbraw/zinc/12/13/40/1128121340.db2.gz LAUHPTOUXFBDQT-UHFFFAOYSA-N -1 0 346.184 3.592 20 0 EHADRM Cc1ccc(C)c(OCCCCC(=O)[N-]S(=O)(=O)CC2CC2)c1 ZINC000073537320 1128393041 /nfs/dbraw/zinc/39/30/41/1128393041.db2.gz CXNXDNAQZYRDKU-UHFFFAOYSA-N -1 0 339.457 3.549 20 0 EHADRM Cc1onc(-c2nc(-c3ccc4[n-]c(=S)sc4c3)no2)c1C ZINC001212400873 1128439295 /nfs/dbraw/zinc/43/92/95/1128439295.db2.gz UDPUIOKOIJKUJQ-UHFFFAOYSA-N -1 0 330.394 3.907 20 0 EHADRM O=C(C=Cc1cccc(F)c1)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000060489208 1128463655 /nfs/dbraw/zinc/46/36/55/1128463655.db2.gz SJSJYQJFWNKRSK-RUDMXATFSA-N -1 0 339.775 3.838 20 0 EHADRM CCCN1CCN(C(=O)c2cccc(F)c2[O-])c2ccc(F)cc21 ZINC001128063782 1128493109 /nfs/dbraw/zinc/49/31/09/1128493109.db2.gz FKZIFOSIYCFKDE-UHFFFAOYSA-N -1 0 332.350 3.547 20 0 EHADRM CC[C@H](CNC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655858940 1128509196 /nfs/dbraw/zinc/50/91/96/1128509196.db2.gz BSKCBKFAECVVFU-HDEZJCGLSA-N -1 0 346.471 3.615 20 0 EHADRM Cc1ccc(CCCC(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)cc1 ZINC000057751563 1128663968 /nfs/dbraw/zinc/66/39/68/1128663968.db2.gz DSSNWAXUQCQBLR-UHFFFAOYSA-N -1 0 337.379 3.712 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)ccc1F ZINC000303838143 1128701298 /nfs/dbraw/zinc/70/12/98/1128701298.db2.gz MOKBHEQVHTVUSA-UHFFFAOYSA-N -1 0 335.400 3.724 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cn2)c1F ZINC000542864017 1128709021 /nfs/dbraw/zinc/70/90/21/1128709021.db2.gz LNQFGCICXAZNNW-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM Fc1ccc([C@@H]2CC[C@@H](N=c3[n-]nc(C4CCOCC4)s3)C2)cc1 ZINC000338710435 1128733468 /nfs/dbraw/zinc/73/34/68/1128733468.db2.gz HRSSGVCWHWASQM-GDBMZVCRSA-N -1 0 347.459 3.741 20 0 EHADRM O=C([O-])[C@@]1(CC(=O)Nc2cccc(-c3ccccc3)c2)CCSC1 ZINC000672248731 1128880458 /nfs/dbraw/zinc/88/04/58/1128880458.db2.gz BZPMNDUDOUVAEY-LJQANCHMSA-N -1 0 341.432 3.890 20 0 EHADRM O=C(Nc1c(O)cccc1Cl)c1ccc(Br)c([O-])c1 ZINC001648816409 1120047478 /nfs/dbraw/zinc/04/74/78/1120047478.db2.gz SWUITEAUZXWXLD-UHFFFAOYSA-N -1 0 342.576 3.766 20 0 EHADRM O=C(N[C@H]1CC[C@H](c2cccc(Cl)c2)C1)c1c(O)cccc1O ZINC001648849486 1120053998 /nfs/dbraw/zinc/05/39/98/1120053998.db2.gz OVERISWICGOHSF-JSGCOSHPSA-N -1 0 331.799 3.817 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1Cc1ccc(Br)cc1Cl ZINC000168220869 1120275377 /nfs/dbraw/zinc/27/53/77/1120275377.db2.gz QZEUIJNYARPMKI-GFCCVEGCSA-N -1 0 346.652 3.932 20 0 EHADRM CC[C@H](NCc1c(OC)ccc2ccccc21)c1nc(C(=O)[O-])c[nH]1 ZINC000904064491 1120351116 /nfs/dbraw/zinc/35/11/16/1120351116.db2.gz JXSGZGLSNCBAFM-HNNXBMFYSA-N -1 0 339.395 3.511 20 0 EHADRM O=S(=O)([N-]c1cccc2cccnc21)c1c[nH]c2cccc(F)c21 ZINC000185177303 1120403040 /nfs/dbraw/zinc/40/30/40/1120403040.db2.gz QWTDSKFYOWELQN-UHFFFAOYSA-N -1 0 341.367 3.656 20 0 EHADRM O=S(=O)([N-]c1cc(F)c(F)c(F)c1)c1c[nH]c2cccc(F)c21 ZINC000185253841 1120406229 /nfs/dbraw/zinc/40/62/29/1120406229.db2.gz GJIPZZJNSGKRLP-UHFFFAOYSA-N -1 0 344.289 3.525 20 0 EHADRM CN(C)[C@H](C(=O)Nc1cc(Cl)c([O-])c(Cl)c1)c1ccccc1 ZINC000185469526 1120415823 /nfs/dbraw/zinc/41/58/23/1120415823.db2.gz XVNZFZXOWWWFSL-AWEZNQCLSA-N -1 0 339.222 3.940 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc2nc(C3CC3)oc2c1 ZINC000187014470 1120483320 /nfs/dbraw/zinc/48/33/20/1120483320.db2.gz KYYVINRJOBUSLS-UHFFFAOYSA-N -1 0 346.383 3.954 20 0 EHADRM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(C)(C)C)c2O)cc1 ZINC000187082271 1120485388 /nfs/dbraw/zinc/48/53/88/1120485388.db2.gz MBRDPXWSZHVMEL-UHFFFAOYSA-N -1 0 347.436 3.693 20 0 EHADRM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cccc(Cl)c1O ZINC000229368089 1120960534 /nfs/dbraw/zinc/96/05/34/1120960534.db2.gz ZKGZJMUHLIFYQP-UHFFFAOYSA-N -1 0 329.780 3.602 20 0 EHADRM CCCCCC[C@](C)(NC(=O)Cc1cccc2cccnc21)C(=O)[O-] ZINC000761952103 1121015518 /nfs/dbraw/zinc/01/55/18/1121015518.db2.gz QWGILMVPYXNXOZ-FQEVSTJZSA-N -1 0 342.439 3.707 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000761954275 1121015857 /nfs/dbraw/zinc/01/58/57/1121015857.db2.gz LIUSDLYLMMMYJL-AWEZNQCLSA-N -1 0 348.402 3.885 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)C(CC)CC)cc1 ZINC000762018673 1121053081 /nfs/dbraw/zinc/05/30/81/1121053081.db2.gz YAPDYXWELHDELB-ZDUSSCGKSA-N -1 0 325.474 3.516 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)/C=C\c2ccccc2F)cc1)C(=O)[O-] ZINC000762172819 1121151568 /nfs/dbraw/zinc/15/15/68/1121151568.db2.gz WPLBBDJZMMNCEJ-BIRHUZIMSA-N -1 0 327.355 3.741 20 0 EHADRM Cc1csc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1Cl ZINC000236026503 1121436930 /nfs/dbraw/zinc/43/69/30/1121436930.db2.gz OMQZRMCLJPUKBR-DCAQKATOSA-N -1 0 327.833 3.568 20 0 EHADRM CCn1c(COC(=O)c2ccc([O-])c(Cl)c2)nc2cc(F)ccc21 ZINC000762831985 1121452994 /nfs/dbraw/zinc/45/29/94/1121452994.db2.gz TYHYRDLWTLVDGQ-UHFFFAOYSA-N -1 0 348.761 3.911 20 0 EHADRM CC(C)C[C@@H](NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000236578207 1121457767 /nfs/dbraw/zinc/45/77/67/1121457767.db2.gz LYCSZFJDILUXLL-GMXVVIOVSA-N -1 0 344.238 3.712 20 0 EHADRM CC(C)C[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000236787929 1121463513 /nfs/dbraw/zinc/46/35/13/1121463513.db2.gz QXYZDXUDDYBFGE-YRGRVCCFSA-N -1 0 344.238 3.712 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N[C@H](C)c2nc(C)c(C(=O)[O-])s2)cc1 ZINC000236946607 1121469688 /nfs/dbraw/zinc/46/96/88/1121469688.db2.gz DGFVQBWYSDNTMQ-ZYHUDNBSSA-N -1 0 346.452 3.693 20 0 EHADRM CCc1ccc(CCC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000237165833 1121475219 /nfs/dbraw/zinc/47/52/19/1121475219.db2.gz GYHAXXLSALCCEU-QRWLVFNGSA-N -1 0 339.435 3.760 20 0 EHADRM Cc1[nH][nH]c(=O)c1NC(=O)c1ccccc1NCCC1=CCCCC1 ZINC000615226755 1121519457 /nfs/dbraw/zinc/51/94/57/1121519457.db2.gz CIDSWASDMQEXJA-UHFFFAOYSA-N -1 0 340.427 3.978 20 0 EHADRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)c(C)s1 ZINC000915815907 1121643543 /nfs/dbraw/zinc/64/35/43/1121643543.db2.gz XZMSKVRTLYDTDZ-UHFFFAOYSA-N -1 0 345.445 3.637 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)s1 ZINC000041371819 1121701637 /nfs/dbraw/zinc/70/16/37/1121701637.db2.gz STZACQVRCLFKTF-UHFFFAOYSA-N -1 0 336.482 3.712 20 0 EHADRM CCC1CCC(N(C)C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])CC1 ZINC000499562103 1129013101 /nfs/dbraw/zinc/01/31/01/1129013101.db2.gz RQNQFQYETCZVOU-UHFFFAOYSA-N -1 0 345.418 3.758 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)CCC2CCCCC2)cc1 ZINC000916187998 1122091630 /nfs/dbraw/zinc/09/16/30/1122091630.db2.gz LUJFEUWJUVLZEX-UHFFFAOYSA-N -1 0 337.485 3.805 20 0 EHADRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(Cl)s1)CC(C)(C)C ZINC000916652885 1122243585 /nfs/dbraw/zinc/24/35/85/1122243585.db2.gz ZQVQBZDYSCEGIW-VIFPVBQESA-N -1 0 337.894 3.669 20 0 EHADRM C[C@H]1CCCN(C(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000124071685 1122273420 /nfs/dbraw/zinc/27/34/20/1122273420.db2.gz NTEJSNMJSRULOV-QMMMGPOBSA-N -1 0 332.625 3.680 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc(SC(C)C)cc1 ZINC000916755351 1122346303 /nfs/dbraw/zinc/34/63/03/1122346303.db2.gz KARNDWVAOVBWQP-UHFFFAOYSA-N -1 0 349.477 3.614 20 0 EHADRM CCOCc1ccc([N-]S(=O)(=O)c2c(F)cccc2Cl)cc1 ZINC000126203023 1122395098 /nfs/dbraw/zinc/39/50/98/1122395098.db2.gz NPMJSNOYMLSDJW-UHFFFAOYSA-N -1 0 343.807 3.816 20 0 EHADRM CCCc1nc(=NC(=O)c2sccc2-c2ccccc2)s[n-]1 ZINC000499589267 1129054158 /nfs/dbraw/zinc/05/41/58/1129054158.db2.gz OLIHXCUKFAPNCU-UHFFFAOYSA-N -1 0 329.450 3.893 20 0 EHADRM COc1ccc(N(Cc2cccs2)C(=O)c2ncccc2[O-])cc1 ZINC000126999652 1122456141 /nfs/dbraw/zinc/45/61/41/1122456141.db2.gz ISDOBZHJFGKTKB-UHFFFAOYSA-N -1 0 340.404 3.704 20 0 EHADRM CC(C)N(C)c1ccccc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000670384827 1122615954 /nfs/dbraw/zinc/61/59/54/1122615954.db2.gz NRBSEIMCKDXYHU-UHFFFAOYSA-N -1 0 338.329 3.906 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1c(F)cccc1NC(C)C ZINC000498014891 1122726652 /nfs/dbraw/zinc/72/66/52/1122726652.db2.gz GWYQYKOMACDPNY-UHFFFAOYSA-N -1 0 328.434 3.817 20 0 EHADRM Cc1nc(CSc2n[n-]c(=Nc3cccc(C)c3)s2)oc1C ZINC000498084023 1122755757 /nfs/dbraw/zinc/75/57/57/1122755757.db2.gz JZSXSQNMJTXVBR-UHFFFAOYSA-N -1 0 332.454 3.909 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cn2)ccc1OC(C)C ZINC000069674617 1122810621 /nfs/dbraw/zinc/81/06/21/1122810621.db2.gz VMDCLMPUAFVIRH-UHFFFAOYSA-N -1 0 340.832 3.631 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000918595020 1122861585 /nfs/dbraw/zinc/86/15/85/1122861585.db2.gz KYPMPFPIUGRGGX-RMKNXTFCSA-N -1 0 330.409 3.925 20 0 EHADRM O=S(=O)([N-]c1ccccc1)c1cccc(Br)c1Cl ZINC000556346958 1122938286 /nfs/dbraw/zinc/93/82/86/1122938286.db2.gz MUZDRCJXQATHRQ-UHFFFAOYSA-N -1 0 346.633 3.903 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2O)c(Cl)c1 ZINC000078002295 1129090239 /nfs/dbraw/zinc/09/02/39/1129090239.db2.gz VQNUBDLHMGJMTI-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM C=Cc1ccc(C(=O)N=c2[n-]nc(Cc3ccc(F)cc3)s2)cc1 ZINC000556396948 1122961089 /nfs/dbraw/zinc/96/10/89/1122961089.db2.gz MNXSUXYUYKGIHQ-UHFFFAOYSA-N -1 0 339.395 3.585 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cn2)c(C)c1 ZINC000499051780 1123173381 /nfs/dbraw/zinc/17/33/81/1123173381.db2.gz CDKBVDIIGZZFAF-UHFFFAOYSA-N -1 0 344.358 3.826 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)c(F)c1 ZINC000132788743 1123300288 /nfs/dbraw/zinc/30/02/88/1123300288.db2.gz ZXZIPCPUKJGZRD-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM CC(=O)Nc1cc(NC(=O)c2c([O-])cccc2Cl)ccc1Cl ZINC000920464118 1123371901 /nfs/dbraw/zinc/37/19/01/1123371901.db2.gz KHXQBKYSSJYSKJ-UHFFFAOYSA-N -1 0 339.178 3.910 20 0 EHADRM CCc1ccc(O)c(C(=O)N2CC[C@H](c3ccccc3OC)C2)c1 ZINC000133285486 1123377120 /nfs/dbraw/zinc/37/71/20/1123377120.db2.gz MGDRQFQVLKFPJE-HNNXBMFYSA-N -1 0 325.408 3.593 20 0 EHADRM CO[C@@H](CNC(=O)c1ccc([O-])c(Cl)c1)c1cccc(Cl)c1 ZINC000075214685 1123382717 /nfs/dbraw/zinc/38/27/17/1123382717.db2.gz BCVICULODYTXBZ-HNNXBMFYSA-N -1 0 340.206 3.817 20 0 EHADRM Cc1ccccc1-n1cc(C(=O)Nc2cccc(Cl)c2[O-])cn1 ZINC000077011148 1123529917 /nfs/dbraw/zinc/52/99/17/1123529917.db2.gz OQNFBYYMPSEMMF-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM O=C(NCc1ccccc1OC1CCCC1)c1c([O-])cc(F)cc1F ZINC000066047363 1129127790 /nfs/dbraw/zinc/12/77/90/1129127790.db2.gz IGZPMUUBYKAWAR-UHFFFAOYSA-N -1 0 347.361 3.922 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)c1 ZINC000238153623 1123566904 /nfs/dbraw/zinc/56/69/04/1123566904.db2.gz DOCNXIWGUMUIMC-STQMWFEESA-N -1 0 333.746 3.920 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)COc3ccccc3)ccc2s1 ZINC000238207989 1123570797 /nfs/dbraw/zinc/57/07/97/1123570797.db2.gz CTVQROKELIDPHH-UHFFFAOYSA-N -1 0 327.361 3.617 20 0 EHADRM Cc1cc(=NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)[n-]nc1C ZINC000609648099 1123633471 /nfs/dbraw/zinc/63/34/71/1123633471.db2.gz NFBXYBVHAANCRO-MRXNPFEDSA-N -1 0 347.418 3.588 20 0 EHADRM CCOC(=O)CCCCSc1n[n-]c(=NC2CCCCC2)s1 ZINC000610034939 1123718468 /nfs/dbraw/zinc/71/84/68/1123718468.db2.gz VIRXUWPHTSKPGS-UHFFFAOYSA-N -1 0 343.518 3.530 20 0 EHADRM CC(C)[C@@H](C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1ccccc1 ZINC000079899830 1123730400 /nfs/dbraw/zinc/73/04/00/1123730400.db2.gz CBKCROIPJKWQLB-MRXNPFEDSA-N -1 0 337.379 3.821 20 0 EHADRM COCc1nc2cc(NC(=O)c3ccc([O-])c(Cl)c3)ccc2o1 ZINC000080038309 1123735615 /nfs/dbraw/zinc/73/56/15/1123735615.db2.gz RHYDQNJJRJUQRV-UHFFFAOYSA-N -1 0 332.743 3.586 20 0 EHADRM CN(Cc1ccccc1-c1ccccc1)C(=O)CCCCC(=O)[O-] ZINC000263292847 1123748837 /nfs/dbraw/zinc/74/88/37/1123748837.db2.gz LWJKTIICYJHCQL-UHFFFAOYSA-N -1 0 325.408 3.957 20 0 EHADRM CCCC[C@H](NC(=O)Nc1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000564360723 1123781925 /nfs/dbraw/zinc/78/19/25/1123781925.db2.gz DZWRYYBMRDQXNA-ZDUSSCGKSA-N -1 0 346.349 3.946 20 0 EHADRM CC(NC(=O)CCCCC(=O)[O-])(c1ccccc1)c1ccccc1 ZINC000263324132 1123806381 /nfs/dbraw/zinc/80/63/81/1123806381.db2.gz SGVMYZDGFQNKMQ-UHFFFAOYSA-N -1 0 325.408 3.711 20 0 EHADRM CC(C)c1cc(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)on1 ZINC000114499239 1129152425 /nfs/dbraw/zinc/15/24/25/1129152425.db2.gz RCXLGRPMGCHPPQ-UHFFFAOYSA-N -1 0 349.239 3.583 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)cc1 ZINC000237946294 1123922933 /nfs/dbraw/zinc/92/29/33/1123922933.db2.gz RAEOBBHGVWHSOW-HWKADKQISA-N -1 0 343.329 3.805 20 0 EHADRM C[C@@H](CCC(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000263537399 1124029184 /nfs/dbraw/zinc/02/91/84/1124029184.db2.gz PGDHWYGGNKIOEK-KSSFIOAISA-N -1 0 343.398 3.694 20 0 EHADRM CC(C)COc1ccc(Nc2nc[n-]c(=O)c2Br)cc1 ZINC001212285752 1124031581 /nfs/dbraw/zinc/03/15/81/1124031581.db2.gz NSCRBSJRUIOMPY-UHFFFAOYSA-N -1 0 338.205 3.723 20 0 EHADRM CC[C@@H](C)N(CC)C(=O)c1cccc(C(=O)N(CC)[C@@H](C)CC)c1[O-] ZINC000616978181 1124061373 /nfs/dbraw/zinc/06/13/73/1124061373.db2.gz VMGPOKJZHPCTLP-GASCZTMLSA-N -1 0 348.487 3.913 20 0 EHADRM C[C@]1(Cc2ccccc2)CCCN1C(=O)C1CCC(C(=O)[O-])CC1 ZINC000263568331 1124526787 /nfs/dbraw/zinc/52/67/87/1124526787.db2.gz GZKXFZFRGAKQCY-LBXVMSDZSA-N -1 0 329.440 3.501 20 0 EHADRM CC(C)[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000734703751 1131268114 /nfs/dbraw/zinc/26/81/14/1131268114.db2.gz PMIQIRMNSLGQEE-AWEZNQCLSA-N -1 0 343.514 3.796 20 0 EHADRM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)CC2(C(=O)[O-])CCC2)cc1 ZINC000263572235 1124597017 /nfs/dbraw/zinc/59/70/17/1124597017.db2.gz KQYWPOCSIMTGHR-DLBZAZTESA-N -1 0 329.440 3.735 20 0 EHADRM Cc1csc2nc(C)nc(N3CCC[C@H](C(C)(C)C(=O)[O-])C3)c12 ZINC000649405630 1124686012 /nfs/dbraw/zinc/68/60/12/1124686012.db2.gz DEDFFJXLNPDXPO-LBPRGKRZSA-N -1 0 333.457 3.635 20 0 EHADRM CCc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000070031238 1125164082 /nfs/dbraw/zinc/16/40/82/1125164082.db2.gz LWLVYRGOZIHFOK-ZDUSSCGKSA-N -1 0 347.436 3.707 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000619195003 1125311693 /nfs/dbraw/zinc/31/16/93/1125311693.db2.gz LDAJFTSZYYSXHP-NHYWBVRUSA-N -1 0 341.810 3.606 20 0 EHADRM O=C(Nc1ccc(O)c(Cl)c1)c1cc(F)cc2[nH]c(=S)[nH]c21 ZINC000182877514 1125384521 /nfs/dbraw/zinc/38/45/21/1125384521.db2.gz WFJZJDRNSYPXAX-UHFFFAOYSA-N -1 0 337.763 3.602 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2occc2-c2ccccc2)C1 ZINC000261888502 1125388760 /nfs/dbraw/zinc/38/87/60/1125388760.db2.gz NJFKSJMOPANQKT-CQSZACIVSA-N -1 0 327.380 3.664 20 0 EHADRM CSCc1ccc([N-]S(=O)(=O)c2cccc(F)c2F)cc1 ZINC000066588244 1129189844 /nfs/dbraw/zinc/18/98/44/1129189844.db2.gz XXEGEKOVPYZVBP-UHFFFAOYSA-N -1 0 329.393 3.629 20 0 EHADRM CCc1nc(C)c([N-]S(=O)(=O)c2cc(C)cc3cccnc32)s1 ZINC000681660662 1129195064 /nfs/dbraw/zinc/19/50/64/1129195064.db2.gz QQOBFKJASHJUSO-UHFFFAOYSA-N -1 0 347.465 3.671 20 0 EHADRM Cc1cc(C)c(NC(=O)CC2(CC(=O)[O-])CCCCC2)cc1CO ZINC000682517853 1129221998 /nfs/dbraw/zinc/22/19/98/1129221998.db2.gz BCVZVHFDWGKITD-UHFFFAOYSA-N -1 0 333.428 3.550 20 0 EHADRM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000314576702 1129267364 /nfs/dbraw/zinc/26/73/64/1129267364.db2.gz YNLRZMFJNDCSBW-NEPJUHHUSA-N -1 0 342.222 3.619 20 0 EHADRM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000314576718 1129267564 /nfs/dbraw/zinc/26/75/64/1129267564.db2.gz YNLRZMFJNDCSBW-NWDGAFQWSA-N -1 0 342.222 3.619 20 0 EHADRM Cc1ccc(-c2[n-][nH]c(=NC(=O)c3coc(C4CCCC4)n3)c2C)o1 ZINC000338819193 1129289720 /nfs/dbraw/zinc/28/97/20/1129289720.db2.gz JQCILFAXJSMJPS-UHFFFAOYSA-N -1 0 340.383 3.606 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(C)n([C@H](C)C3CC3)n2)c(C)s1 ZINC000543162394 1129303755 /nfs/dbraw/zinc/30/37/55/1129303755.db2.gz KYLGFCIVVMWBOT-LLVKDONJSA-N -1 0 339.486 3.642 20 0 EHADRM CC(C)[C@H](NC(=O)c1n[n-]c2ccccc2c1=O)c1ccc(F)cc1 ZINC000735651262 1131368379 /nfs/dbraw/zinc/36/83/79/1131368379.db2.gz WKLRICIXKKKPHA-INIZCTEOSA-N -1 0 339.370 3.602 20 0 EHADRM Cc1ccc(-n2cc([N-]S(=O)(=O)c3ccccc3C)cn2)c(C)c1 ZINC000466406207 1129427630 /nfs/dbraw/zinc/42/76/30/1129427630.db2.gz WLFDOIHJXANMTK-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM C(Sc1n[n-]c(=NC2CC2)s1)[C@@H]1CCC2(CCCCC2)O1 ZINC000466413506 1129431494 /nfs/dbraw/zinc/43/14/94/1129431494.db2.gz IGYNJTNESXNLJA-LBPRGKRZSA-N -1 0 325.503 3.508 20 0 EHADRM C[C@@H](NC(=O)c1c([O-])cc(F)cc1F)c1ncc(-c2ccccc2)o1 ZINC000156021940 1129689370 /nfs/dbraw/zinc/68/93/70/1129689370.db2.gz PUUZSUZRZBQQDI-SNVBAGLBSA-N -1 0 344.317 3.816 20 0 EHADRM S=c1[n-]c2cc(NCc3ccc(Br)nc3)ccc2o1 ZINC001162014725 1129707423 /nfs/dbraw/zinc/70/74/23/1129707423.db2.gz FXJVLRJOJPOFGE-UHFFFAOYSA-N -1 0 336.214 3.886 20 0 EHADRM CC(C)c1ccc(C(=O)COC(=O)c2c(F)cc([O-])cc2F)cc1 ZINC000735949798 1131393697 /nfs/dbraw/zinc/39/36/97/1131393697.db2.gz IPKDXYWNXFJKQH-UHFFFAOYSA-N -1 0 334.318 3.834 20 0 EHADRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cnc2ccccc2c1 ZINC000509101518 1129747869 /nfs/dbraw/zinc/74/78/69/1129747869.db2.gz ZXMBTWQOLPWKRP-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1cccc2c1OCO2 ZINC000509103288 1129749992 /nfs/dbraw/zinc/74/99/92/1129749992.db2.gz NMSJJWXAWJYXQN-UHFFFAOYSA-N -1 0 346.191 3.523 20 0 EHADRM CCC(C)(C)CS(=O)(=O)[N-][C@H](c1cc(F)ccc1F)C(F)F ZINC000625174326 1129752301 /nfs/dbraw/zinc/75/23/01/1129752301.db2.gz XUSGLEOMNVPLPM-GFCCVEGCSA-N -1 0 341.370 3.627 20 0 EHADRM CCCc1n[n-]c(=NCc2c[nH]nc2-c2ccc(Cl)cc2)s1 ZINC000347790965 1129786058 /nfs/dbraw/zinc/78/60/58/1129786058.db2.gz DGDAUZJSBOCUCX-UHFFFAOYSA-N -1 0 333.848 3.568 20 0 EHADRM Cc1c(C(=O)[O-])cnn1-c1cccc(NC(=O)c2ccc(C)c(C)c2)c1 ZINC000347797885 1129810038 /nfs/dbraw/zinc/81/00/38/1129810038.db2.gz FJULDSYXDFUTHH-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(-c3ccncc3)c[nH]c2=O)c(F)c1F ZINC001212510816 1129864550 /nfs/dbraw/zinc/86/45/50/1129864550.db2.gz DDZPPEGFTNTEHV-UHFFFAOYSA-N -1 0 343.289 3.569 20 0 EHADRM CCC(CC)c1n[n-]c(=NCc2nccn2Cc2ccccc2)s1 ZINC000347815125 1129868875 /nfs/dbraw/zinc/86/88/75/1129868875.db2.gz LXTRSKFDJGUSIU-UHFFFAOYSA-N -1 0 341.484 3.721 20 0 EHADRM CC(C)c1nnc2ccc(Nc3ccc(C(=O)[O-])c(F)c3F)cn21 ZINC001212512344 1129919847 /nfs/dbraw/zinc/91/98/47/1129919847.db2.gz IFYZWLRBFWCTRB-UHFFFAOYSA-N -1 0 332.310 3.573 20 0 EHADRM Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1cccc2cccnc21 ZINC000673983367 1129933705 /nfs/dbraw/zinc/93/37/05/1129933705.db2.gz UKQVRTCRXBQISA-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)c1ccc(OCC2CC2)cc1 ZINC000466625870 1129984729 /nfs/dbraw/zinc/98/47/29/1129984729.db2.gz IUQSQMSGFOQORY-UHFFFAOYSA-N -1 0 345.402 3.607 20 0 EHADRM O=C(CCc1cc(Cl)cs1)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000466633574 1129994387 /nfs/dbraw/zinc/99/43/87/1129994387.db2.gz GZQZICYBQBMGNI-UHFFFAOYSA-N -1 0 343.839 3.852 20 0 EHADRM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccnn1[C@H](C)C1CC1 ZINC000171342054 1130047973 /nfs/dbraw/zinc/04/79/73/1130047973.db2.gz RHEPBSCHOGCOKF-LLVKDONJSA-N -1 0 339.848 3.617 20 0 EHADRM O=S(=O)([N-]c1ccccc1)c1cc(Br)ccc1Cl ZINC000141370916 1130121809 /nfs/dbraw/zinc/12/18/09/1130121809.db2.gz JATQJKXMRVBIIO-UHFFFAOYSA-N -1 0 346.633 3.903 20 0 EHADRM CCn1cc(Br)cc1C(=O)Nc1cccc(Cl)c1[O-] ZINC000172356003 1130127251 /nfs/dbraw/zinc/12/72/51/1130127251.db2.gz DSPYUFHMCUKCGS-UHFFFAOYSA-N -1 0 343.608 3.882 20 0 EHADRM CC(C)CC1(CNC(=O)C[C@@H](C(=O)[O-])c2ccccc2)CCCC1 ZINC000674767699 1130192462 /nfs/dbraw/zinc/19/24/62/1130192462.db2.gz PLIMRSCGADIQLT-QGZVFWFLSA-N -1 0 331.456 3.968 20 0 EHADRM Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)CC(C)(C)C(=O)[O-] ZINC000674992229 1130237660 /nfs/dbraw/zinc/23/76/60/1130237660.db2.gz HLFFKDVSAWMCQC-OAHLLOKOSA-N -1 0 345.464 3.957 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2cccc(O)c2F)c2ccccc21 ZINC001212551127 1130361423 /nfs/dbraw/zinc/36/14/23/1130361423.db2.gz BQAPXQLQHVFCPO-UHFFFAOYSA-N -1 0 333.340 3.675 20 0 EHADRM O=C([O-])[C@H](CC(=O)Nc1ccccc1OCC(F)F)c1ccccc1 ZINC000675546108 1130425450 /nfs/dbraw/zinc/42/54/50/1130425450.db2.gz MHTSIPLMMNXBLO-CYBMUJFWSA-N -1 0 349.333 3.528 20 0 EHADRM Cc1cc(C(=O)N(CCC(=O)[O-])CC2CC2)c(C)n1C1CCCCC1 ZINC000675970817 1130512050 /nfs/dbraw/zinc/51/20/50/1130512050.db2.gz FGDZJXKGWTWHAG-UHFFFAOYSA-N -1 0 346.471 3.937 20 0 EHADRM O=C([O-])CCN(CC1CC1)C(=O)c1cc2c(s1)CCCCCC2 ZINC000675969826 1130512206 /nfs/dbraw/zinc/51/22/06/1130512206.db2.gz RFUIMFFHDDNNNK-UHFFFAOYSA-N -1 0 335.469 3.734 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)c1 ZINC000675968086 1130512226 /nfs/dbraw/zinc/51/22/26/1130512226.db2.gz LLFCZUXZXPZMKM-SOLBZPMBSA-N -1 0 345.439 3.566 20 0 EHADRM O=C(NCc1cocn1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000676143401 1130536548 /nfs/dbraw/zinc/53/65/48/1130536548.db2.gz BIZYCJNQBMZPOT-UHFFFAOYSA-N -1 0 328.755 3.631 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2cccc(OC3CCCCC3)c2)C1 ZINC000676217518 1130546577 /nfs/dbraw/zinc/54/65/77/1130546577.db2.gz YJLXSMJHLNPDTH-HNNXBMFYSA-N -1 0 345.439 3.725 20 0 EHADRM CCOc1ccc(S([O-])=CC(=O)N[C@@H](C)CCCC(C)C)cc1 ZINC000730940411 1130752011 /nfs/dbraw/zinc/75/20/11/1130752011.db2.gz BSPGXPMEEGCUEK-WNSKOXEYSA-N -1 0 339.501 3.524 20 0 EHADRM O=C([O-])c1cc(/C=C/c2ncc[nH]2)nc2cc(Br)ccc21 ZINC000731159808 1130773775 /nfs/dbraw/zinc/77/37/75/1130773775.db2.gz WIWFEASLACHDHD-DUXPYHPUSA-N -1 0 344.168 3.589 20 0 EHADRM O=Cc1c[nH]nc1C=Cc1cccc(OCc2ccccc2C(=O)[O-])c1 ZINC000731564383 1130811780 /nfs/dbraw/zinc/81/17/80/1130811780.db2.gz CLMOGPIGIORYDQ-CMDGGOBGSA-N -1 0 348.358 3.670 20 0 EHADRM CC[C@@H](NC(=O)c1n[n-]c2ccccc2c1=O)c1ccc(Cl)cc1 ZINC000731866489 1130856811 /nfs/dbraw/zinc/85/68/11/1130856811.db2.gz JJPLZOXITOJWGO-CQSZACIVSA-N -1 0 341.798 3.870 20 0 EHADRM COc1ccc2nc(/C=C\c3cccc(OCC(=O)[O-])c3)sc2c1 ZINC000733206277 1131012609 /nfs/dbraw/zinc/01/26/09/1131012609.db2.gz FLWJPULOXYQXKR-YVMONPNESA-N -1 0 341.388 3.939 20 0 EHADRM CCC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000733676474 1131065975 /nfs/dbraw/zinc/06/59/75/1131065975.db2.gz HDQXXWDUOKFCKD-AWEZNQCLSA-N -1 0 341.448 3.627 20 0 EHADRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)c1cc2c(s1)CCC2 ZINC000347985740 1131119484 /nfs/dbraw/zinc/11/94/84/1131119484.db2.gz ARBGFPSLLGPMIF-UHFFFAOYSA-N -1 0 349.839 3.617 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)cc1 ZINC000348008328 1131125807 /nfs/dbraw/zinc/12/58/07/1131125807.db2.gz UXHBVHTUVGNSBS-LSDHHAIUSA-N -1 0 345.782 3.546 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)c1 ZINC000348028498 1131130441 /nfs/dbraw/zinc/13/04/41/1131130441.db2.gz UILJUHDTQCHEDA-UHFFFAOYSA-N -1 0 333.438 3.556 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000734080444 1131194663 /nfs/dbraw/zinc/19/46/63/1131194663.db2.gz QXMHMCURJBPDHW-MRXNPFEDSA-N -1 0 337.485 3.715 20 0 EHADRM O=C(/C=C\c1ccco1)NCc1c(C(=O)[O-])sc2ccsc21 ZINC000738452387 1131472119 /nfs/dbraw/zinc/47/21/19/1131472119.db2.gz AMWNTZIQSXQXPN-ARJAWSKDSA-N -1 0 333.390 3.584 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)cc1 ZINC000738562760 1131478039 /nfs/dbraw/zinc/47/80/39/1131478039.db2.gz WBZBHEQZYTXXKK-AJNJCKRNSA-N -1 0 343.329 3.805 20 0 EHADRM CC[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(C)c1)c1ccc(C)cc1 ZINC000739140854 1131493406 /nfs/dbraw/zinc/49/34/06/1131493406.db2.gz VXEFUQBZPWPPTC-MRXNPFEDSA-N -1 0 345.464 3.692 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)C[C@@H](CC)c1ccc(C)cc1 ZINC000739185611 1131493426 /nfs/dbraw/zinc/49/34/26/1131493426.db2.gz GECRVXJGSVDMJD-CQSZACIVSA-N -1 0 325.474 3.513 20 0 EHADRM C[C@@H](CC(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1)CC(C)(C)C ZINC000737352258 1131510282 /nfs/dbraw/zinc/51/02/82/1131510282.db2.gz CPXUHSNEXYKYOD-KBPBESRZSA-N -1 0 325.474 3.656 20 0 EHADRM CCC(=CC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1)c1ccc(C)cc1 ZINC000741553936 1131621747 /nfs/dbraw/zinc/62/17/47/1131621747.db2.gz MWNGXUMSCYBVQN-WYMLVPIESA-N -1 0 349.390 3.770 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccc(N(C)C(C)C)c(F)c1 ZINC000743046885 1131842646 /nfs/dbraw/zinc/84/26/46/1131842646.db2.gz ASINYHFAABEWSX-UHFFFAOYSA-N -1 0 342.461 3.841 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cccnc2Cl)c2cccnc2c1C ZINC000743048011 1131843199 /nfs/dbraw/zinc/84/31/99/1131843199.db2.gz GQAZCQBOLQPCNF-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C)o2)cc1 ZINC000744130249 1132026737 /nfs/dbraw/zinc/02/67/37/1132026737.db2.gz KNUFWGZDBVBPNN-UHFFFAOYSA-N -1 0 349.452 3.615 20 0 EHADRM CCCS(=O)(=O)[N-]C(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 ZINC000744167615 1132030533 /nfs/dbraw/zinc/03/05/33/1132030533.db2.gz PTHCZGLHNBSVRO-UHFFFAOYSA-N -1 0 349.452 3.714 20 0 EHADRM Cc1cc(C)c(Nc2cnc3ccccc3c2)c(S(=O)(=O)[O-])c1 ZINC001174002779 1132199650 /nfs/dbraw/zinc/19/96/50/1132199650.db2.gz TXASLLVXWOSWKE-UHFFFAOYSA-N -1 0 328.393 3.842 20 0 EHADRM CS(=O)(=O)c1cccc(Nc2ccc3[n-]c(=S)sc3c2)c1 ZINC001174028041 1132218697 /nfs/dbraw/zinc/21/86/97/1132218697.db2.gz DHRFGEBVVVCSGF-UHFFFAOYSA-N -1 0 336.463 3.732 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2ccnc3[nH]ccc32)c2ccccc21 ZINC001174412690 1132366943 /nfs/dbraw/zinc/36/69/43/1132366943.db2.gz XPYCNTSOEIBONB-UHFFFAOYSA-N -1 0 339.376 3.658 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2ccnn2Cc2ccc(F)cc2)c1 ZINC001174494786 1132370910 /nfs/dbraw/zinc/37/09/10/1132370910.db2.gz GXBTVLIRVDQTJR-RMKNXTFCSA-N -1 0 337.354 3.912 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2nc3cccc(C(F)(F)F)n3n2)c1 ZINC001174496721 1132371791 /nfs/dbraw/zinc/37/17/91/1132371791.db2.gz QSOGSHCFRCPUIM-BQYQJAHWSA-N -1 0 348.284 3.590 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2nc(F)ccc2Br)c1 ZINC001174495325 1132372115 /nfs/dbraw/zinc/37/21/15/1132372115.db2.gz LZXXNSKAPBAFDT-QPJJXVBHSA-N -1 0 337.148 3.825 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2cccc3c2CN(C2CC2)C3=O)c1 ZINC001174497033 1132372299 /nfs/dbraw/zinc/37/22/99/1132372299.db2.gz AYWZNOFEGLRCSF-JXMROGBWSA-N -1 0 334.375 3.646 20 0 EHADRM COC(=O)Cc1cc(Nc2cccc(/C=C/C(=O)[O-])c2)ccc1C ZINC001174497108 1132373040 /nfs/dbraw/zinc/37/30/40/1132373040.db2.gz FJMOYXWEBZGYNC-VQHVLOKHSA-N -1 0 325.364 3.552 20 0 EHADRM Nc1c(F)c(F)c(Nc2cccc(/C=C/C(=O)[O-])c2)c(F)c1F ZINC001174499638 1132374354 /nfs/dbraw/zinc/37/43/54/1132374354.db2.gz HOFFAWPJWXZVAQ-SNAWJCMRSA-N -1 0 326.249 3.667 20 0 EHADRM CCN(C(=O)c1ccc2[n-]c(=S)oc2c1)c1ccc(OC)cc1 ZINC000746122459 1132378813 /nfs/dbraw/zinc/37/88/13/1132378813.db2.gz WYBYNAIAULXFLF-UHFFFAOYSA-N -1 0 328.393 3.792 20 0 EHADRM Cc1cc(F)cc(Nc2c(O)cc(S(=O)(=O)[O-])c3ccccc32)c1 ZINC001174528320 1132383503 /nfs/dbraw/zinc/38/35/03/1132383503.db2.gz AAQPJSICQAPPCI-UHFFFAOYSA-N -1 0 347.367 3.983 20 0 EHADRM O=C(NCCOC1CCCCCC1)c1ccc2[n-]c(=S)oc2c1 ZINC000746280545 1132400448 /nfs/dbraw/zinc/40/04/48/1132400448.db2.gz BEEKHBMAERLMAX-UHFFFAOYSA-N -1 0 334.441 3.586 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cnc(C)c(Br)c1 ZINC001174671562 1132431654 /nfs/dbraw/zinc/43/16/54/1132431654.db2.gz YYFTUKQFDQBTRB-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ccnn1Cc1ccc(F)cc1 ZINC001174670984 1132431908 /nfs/dbraw/zinc/43/19/08/1132431908.db2.gz OWUHUTMKKRWKSC-UHFFFAOYSA-N -1 0 341.342 3.521 20 0 EHADRM COC(=O)c1cc(Cl)sc1Nc1ccc(C(=O)[O-])cc1OC ZINC001174674936 1132432815 /nfs/dbraw/zinc/43/28/15/1132432815.db2.gz QUYNEZHBEQDBBE-UHFFFAOYSA-N -1 0 341.772 3.639 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc(C(F)(F)F)cc1O ZINC001174677441 1132433845 /nfs/dbraw/zinc/43/38/45/1132433845.db2.gz XNZPYISSKLKZQO-UHFFFAOYSA-N -1 0 327.258 3.861 20 0 EHADRM COc1cc(Nc2c(F)c(F)nc(F)c2Cl)ccc1C(=O)[O-] ZINC001174680796 1132434822 /nfs/dbraw/zinc/43/48/22/1132434822.db2.gz BCJQGIINEUSWMZ-UHFFFAOYSA-N -1 0 332.665 3.603 20 0 EHADRM COc1cc(Nc2ccc3c(c2)NC(=O)CC3(C)C)ccc1C(=O)[O-] ZINC001174687077 1132436648 /nfs/dbraw/zinc/43/66/48/1132436648.db2.gz MRLONKLHNDFWCL-UHFFFAOYSA-N -1 0 340.379 3.757 20 0 EHADRM Cc1cc(C)c(Nc2cncc(C(F)(F)F)c2)c(S(=O)(=O)[O-])c1 ZINC001174745078 1132464431 /nfs/dbraw/zinc/46/44/31/1132464431.db2.gz YHRVCULKBXZGLR-UHFFFAOYSA-N -1 0 346.330 3.708 20 0 EHADRM COC(=O)c1sc2nc(C)ccc2c1Nc1ccc(C(=O)[O-])s1 ZINC001174807149 1132479022 /nfs/dbraw/zinc/47/90/22/1132479022.db2.gz JMGDLLYLXFQFGU-UHFFFAOYSA-N -1 0 348.405 3.895 20 0 EHADRM COc1ccc(Br)cc1Nc1ccc(C(=O)[O-])s1 ZINC001174807217 1132479277 /nfs/dbraw/zinc/47/92/77/1132479277.db2.gz HURPQVKFIYPFCH-UHFFFAOYSA-N -1 0 328.187 3.961 20 0 EHADRM O=C(Nc1ccnn1CC1CCC1)c1cccc(C(F)(F)F)c1[O-] ZINC001174878803 1132494376 /nfs/dbraw/zinc/49/43/76/1132494376.db2.gz WIUPVUXUGSGMOT-UHFFFAOYSA-N -1 0 339.317 3.660 20 0 EHADRM CCn1cc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c2ccccc21 ZINC000746357042 1132494546 /nfs/dbraw/zinc/49/45/46/1132494546.db2.gz RBWFPAFRHTYLPW-UHFFFAOYSA-N -1 0 326.327 3.751 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCn2ccc3ccccc32)ccc1F ZINC000746357212 1132496771 /nfs/dbraw/zinc/49/67/71/1132496771.db2.gz WNGYUABHYJYVIP-UHFFFAOYSA-N -1 0 326.327 3.507 20 0 EHADRM COc1ccccc1-n1nc(C)cc1Nc1ccc(CC(=O)[O-])cc1 ZINC001174951064 1132516253 /nfs/dbraw/zinc/51/62/53/1132516253.db2.gz YUQVUACETILQFN-UHFFFAOYSA-N -1 0 337.379 3.560 20 0 EHADRM COc1ncc(Nc2cc(C(=O)[O-])ccc2C)cc1Br ZINC001174981290 1132534074 /nfs/dbraw/zinc/53/40/74/1132534074.db2.gz JKXZMWXLCRGTMG-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM COc1nccc(Nc2cc(C(=O)[O-])ccc2C)c1Br ZINC001174981219 1132534458 /nfs/dbraw/zinc/53/44/58/1132534458.db2.gz GEMZXFDCFUMGBY-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM CCOC(=O)c1sc(Nc2cc(C(=O)[O-])ccc2C)nc1C1CC1 ZINC001174982132 1132535434 /nfs/dbraw/zinc/53/54/34/1132535434.db2.gz LNVRRDBTIBIOGO-UHFFFAOYSA-N -1 0 346.408 3.947 20 0 EHADRM COc1ccc([C@H]2CCCN2c2c3ccccc3nnc2C(=O)[O-])cc1 ZINC000738093969 1132539667 /nfs/dbraw/zinc/53/96/67/1132539667.db2.gz POKVKFGZSVVGCI-QGZVFWFLSA-N -1 0 349.390 3.678 20 0 EHADRM COc1ccc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)c(F)c1F ZINC001175027062 1132540954 /nfs/dbraw/zinc/54/09/54/1132540954.db2.gz JFYCUNISYXIVEE-UHFFFAOYSA-N -1 0 349.742 3.617 20 0 EHADRM CCC[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1ccsc1 ZINC000766453180 1132545823 /nfs/dbraw/zinc/54/58/23/1132545823.db2.gz MRHLTWAQZNZYSB-AWEZNQCLSA-N -1 0 343.514 3.940 20 0 EHADRM O=C([O-])c1ccc(Nc2ncc(F)cc2Br)cc1F ZINC001175154281 1132569076 /nfs/dbraw/zinc/56/90/76/1132569076.db2.gz HSVGSADKVDXIKV-UHFFFAOYSA-N -1 0 329.100 3.564 20 0 EHADRM Cc1cc(Nc2ccc(F)c(C(=O)[O-])c2)cnc1Br ZINC001175216284 1132598001 /nfs/dbraw/zinc/59/80/01/1132598001.db2.gz ZSKRXZHPXYOASK-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM CCOC(=O)CCc1ccc(Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001175222085 1132600050 /nfs/dbraw/zinc/60/00/50/1132600050.db2.gz RJOOJMFMNMHKCA-UHFFFAOYSA-N -1 0 331.343 3.763 20 0 EHADRM Cc1cc(Nc2ccc(C(=O)[O-])c(Cl)c2)n(-c2ccccn2)n1 ZINC001175314225 1132634622 /nfs/dbraw/zinc/63/46/22/1132634622.db2.gz QZCIBBAESRBIGH-UHFFFAOYSA-N -1 0 328.759 3.671 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(Br)c[nH]c2=O)cc1Cl ZINC001175316325 1132635771 /nfs/dbraw/zinc/63/57/71/1132635771.db2.gz KTSMMRQJDUYBJT-UHFFFAOYSA-N -1 0 343.564 3.645 20 0 EHADRM COC(=O)c1cc(Nc2ccc(C(=O)[O-])c(Cl)c2)c(F)cc1F ZINC001175318669 1132636970 /nfs/dbraw/zinc/63/69/70/1132636970.db2.gz CWEZULVGFCDUKW-UHFFFAOYSA-N -1 0 341.697 3.847 20 0 EHADRM CC1(C)Oc2cc(Nc3ccc(C(=O)[O-])c(Cl)c3)ccc2NC1=O ZINC001175319390 1132637264 /nfs/dbraw/zinc/63/72/64/1132637264.db2.gz WPLTVXDUGSPJMU-UHFFFAOYSA-N -1 0 346.770 3.891 20 0 EHADRM COC(=O)Cc1ccc(F)c(Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001175320227 1132638292 /nfs/dbraw/zinc/63/82/92/1132638292.db2.gz FIEJSCSGNDLFQC-UHFFFAOYSA-N -1 0 337.734 3.636 20 0 EHADRM COCCCN(c1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1N ZINC001175322071 1132639083 /nfs/dbraw/zinc/63/90/83/1132639083.db2.gz SQRPYPCWAZHXKE-UHFFFAOYSA-N -1 0 334.803 3.795 20 0 EHADRM COc1ccc(Cn2ncc(C)c2Nc2cccc(C(=O)[O-])c2)cc1 ZINC001175328082 1132640379 /nfs/dbraw/zinc/64/03/79/1132640379.db2.gz BJVXIYGTRKXYLG-UHFFFAOYSA-N -1 0 337.379 3.690 20 0 EHADRM COC(=O)c1cc(Cl)c(Nc2cccc(C(=O)[O-])c2)cc1OC ZINC001175334996 1132642241 /nfs/dbraw/zinc/64/22/41/1132642241.db2.gz ORQNAMADBXKFBL-UHFFFAOYSA-N -1 0 335.743 3.577 20 0 EHADRM O=C(c1ccc(Nc2ccc(Cl)cc2[S-])cc1)N1CCOCC1 ZINC001175543337 1132703205 /nfs/dbraw/zinc/70/32/05/1132703205.db2.gz KVVOKIIKDIFCBP-UHFFFAOYSA-N -1 0 348.855 3.845 20 0 EHADRM Cc1cc(C(=O)Nc2nccc(Br)c2[O-])ccc1Cl ZINC001169383103 1132743405 /nfs/dbraw/zinc/74/34/05/1132743405.db2.gz ODTZQFHBNIARJC-UHFFFAOYSA-N -1 0 341.592 3.764 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2cnn(C3CCC3)c2)c2ccccc21 ZINC001175758303 1132759223 /nfs/dbraw/zinc/75/92/23/1132759223.db2.gz FXUOLHGCICLPFC-UHFFFAOYSA-N -1 0 343.408 3.752 20 0 EHADRM Nc1cc(C(F)(F)F)cc(Cl)c1Nc1cncc(C(=O)[O-])c1 ZINC001175841922 1132773069 /nfs/dbraw/zinc/77/30/69/1132773069.db2.gz FBCWICZHAJSSAL-UHFFFAOYSA-N -1 0 331.681 3.778 20 0 EHADRM O=C([O-])c1cncc(Nc2c(F)cc(F)cc2Br)c1 ZINC001175842186 1132773639 /nfs/dbraw/zinc/77/36/39/1132773639.db2.gz SVCYBIDPOHTJCI-UHFFFAOYSA-N -1 0 329.100 3.564 20 0 EHADRM Cc1cc(Nc2cncc(C(=O)[O-])c2)c(F)cc1Br ZINC001175842268 1132773649 /nfs/dbraw/zinc/77/36/49/1132773649.db2.gz YCDCGQRFTOMXQC-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM CN(C(=O)OC(C)(C)C)c1cccc(Nc2cncc(C(=O)[O-])c2)c1 ZINC001175842449 1132773715 /nfs/dbraw/zinc/77/37/15/1132773715.db2.gz IJMFHIHUROHRKL-UHFFFAOYSA-N -1 0 343.383 3.895 20 0 EHADRM CCOc1cc(Nc2cncc(C(=O)[O-])c2)ccc1Br ZINC001175842986 1132773907 /nfs/dbraw/zinc/77/39/07/1132773907.db2.gz HVDXGKLSCYXYLV-UHFFFAOYSA-N -1 0 337.173 3.685 20 0 EHADRM Cc1cc(C)c(Nc2ccc3scnc3c2)c(S(=O)(=O)[O-])c1 ZINC001175916349 1132795656 /nfs/dbraw/zinc/79/56/56/1132795656.db2.gz LDBVSQJGXMLZAE-UHFFFAOYSA-N -1 0 334.422 3.903 20 0 EHADRM O=S(=O)([O-])c1cc(Cl)ccc1Nc1ccc2scnc2c1 ZINC001175917513 1132796456 /nfs/dbraw/zinc/79/64/56/1132796456.db2.gz ZCCWHSVSKQDTJL-UHFFFAOYSA-N -1 0 340.813 3.940 20 0 EHADRM CC(C)(C(=O)[N-]OCC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000766772054 1132815638 /nfs/dbraw/zinc/81/56/38/1132815638.db2.gz ULHNSOXAFJTGFF-UHFFFAOYSA-N -1 0 329.240 3.593 20 0 EHADRM CCN(CC)C(=O)c1ccc(F)c(Nc2ccc(C(=O)[O-])cc2)c1 ZINC001176070471 1132827954 /nfs/dbraw/zinc/82/79/54/1132827954.db2.gz ZDOFMTFWVGYAPZ-UHFFFAOYSA-N -1 0 330.359 3.750 20 0 EHADRM CCOC(=O)c1nc(C)oc1[N-]c1c(F)ccc2ccc(C)nc21 ZINC001176113525 1132851188 /nfs/dbraw/zinc/85/11/88/1132851188.db2.gz DVAJRRRCOSASPD-UHFFFAOYSA-N -1 0 329.331 3.899 20 0 EHADRM O=C([O-])Cn1cc(Nc2cc(Br)cc3ccccc32)cn1 ZINC001176273799 1132887662 /nfs/dbraw/zinc/88/76/62/1132887662.db2.gz QDTYTICZNUCZIY-UHFFFAOYSA-N -1 0 346.184 3.627 20 0 EHADRM CC(C)c1ccc(Nc2cnn(CC(=O)[O-])c2)c(C(F)(F)F)c1 ZINC001176272849 1132899683 /nfs/dbraw/zinc/89/96/83/1132899683.db2.gz QJBVNRCVQZVTRT-UHFFFAOYSA-N -1 0 327.306 3.854 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)N(CCC(=O)[O-])CC(C)C ZINC000766908398 1132912247 /nfs/dbraw/zinc/91/22/47/1132912247.db2.gz MPZIHBDIYZLNPS-OFAQMXQXSA-N -1 0 347.455 3.836 20 0 EHADRM Cc1cc(C)c(Nc2c(F)cc(F)c(F)c2F)c(S(=O)(=O)[O-])c1 ZINC001176350758 1132918133 /nfs/dbraw/zinc/91/81/33/1132918133.db2.gz FMHSQJASTMLAJE-UHFFFAOYSA-N -1 0 349.305 3.850 20 0 EHADRM COC(=O)c1cc(Nc2csc(C(=O)[O-])c2)cc(C(F)(F)F)c1 ZINC001176438800 1132928767 /nfs/dbraw/zinc/92/87/67/1132928767.db2.gz DJMGPEUSIAWNNH-UHFFFAOYSA-N -1 0 345.298 3.995 20 0 EHADRM O=C([O-])c1cc(Nc2ccnc3ccc(Br)cc32)cs1 ZINC001176435724 1132928917 /nfs/dbraw/zinc/92/89/17/1132928917.db2.gz OPIPWJRCNGIVEK-UHFFFAOYSA-N -1 0 349.209 3.923 20 0 EHADRM O=C([O-])c1cc(Nc2cc(F)ccc2OC[C@H]2CCCO2)cs1 ZINC001176438885 1132929067 /nfs/dbraw/zinc/92/90/67/1132929067.db2.gz DYLACSOGTYLMGO-GFCCVEGCSA-N -1 0 337.372 3.887 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3ccnn3Cc3ccccc3)cc2)CC1 ZINC001176581840 1132959945 /nfs/dbraw/zinc/95/99/45/1132959945.db2.gz QLGQTZRAPRBXTC-UHFFFAOYSA-N -1 0 333.391 3.791 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3ccc4nc(C5CCC5)nn4c3)cc2)CC1 ZINC001176587108 1132960948 /nfs/dbraw/zinc/96/09/48/1132960948.db2.gz USVGMDSYLZYYGJ-UHFFFAOYSA-N -1 0 348.406 3.857 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3cnc(-c4ccc(O)cc4)nc3)cc2)CC1 ZINC001176586395 1132961124 /nfs/dbraw/zinc/96/11/24/1132961124.db2.gz GQZUJRLTTOERPE-UHFFFAOYSA-N -1 0 347.374 3.709 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3ccc(F)c4c3OCCC4=O)cc2)CC1 ZINC001176587879 1132961705 /nfs/dbraw/zinc/96/17/05/1132961705.db2.gz DIKNUQDGSDPKBQ-UHFFFAOYSA-N -1 0 341.338 3.651 20 0 EHADRM COCCOc1ccc(F)cc1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176590794 1132962470 /nfs/dbraw/zinc/96/24/70/1132962470.db2.gz XHRUTRBDIRRBNL-UHFFFAOYSA-N -1 0 345.370 3.711 20 0 EHADRM COC(=O)c1cc(C)ccc1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176590205 1132962584 /nfs/dbraw/zinc/96/25/84/1132962584.db2.gz NYZBJLDTCZUNSI-UHFFFAOYSA-N -1 0 325.364 3.641 20 0 EHADRM Cc1ccc(CCCO)c(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1 ZINC001176590433 1132962666 /nfs/dbraw/zinc/96/26/66/1132962666.db2.gz PDPUWKOSYAUBGI-UHFFFAOYSA-N -1 0 325.408 3.780 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3cccc(Cn4cccn4)c3)cc2)CC1 ZINC001176590474 1132962784 /nfs/dbraw/zinc/96/27/84/1132962784.db2.gz STRMVSLFBDXKHO-UHFFFAOYSA-N -1 0 333.391 3.791 20 0 EHADRM CC1(C)NC(=O)Nc2ccc(Nc3ccc(/C=C/C(=O)[O-])cc3)cc21 ZINC001176597929 1132976515 /nfs/dbraw/zinc/97/65/15/1132976515.db2.gz ZAKHMUHDUJGGJU-BJMVGYQFSA-N -1 0 337.379 3.898 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(F)ccc2OC[C@@H]2CCCO2)cc1 ZINC001176712224 1132995143 /nfs/dbraw/zinc/99/51/43/1132995143.db2.gz JAONJSKPYZINCW-HNNXBMFYSA-N -1 0 331.343 3.825 20 0 EHADRM COC(=O)c1sc2cccnc2c1Nc1ccc(C(=O)[O-])cc1 ZINC001176711835 1132995299 /nfs/dbraw/zinc/99/52/99/1132995299.db2.gz TZVBUGRMPMROCB-UHFFFAOYSA-N -1 0 328.349 3.525 20 0 EHADRM Cc1cc(C)n([C@@H](C)CC(=O)Nc2ccc3[n-]c(=S)oc3c2)n1 ZINC000769242279 1133249936 /nfs/dbraw/zinc/24/99/36/1133249936.db2.gz NYAVVSRNUGMPNG-NSHDSACASA-N -1 0 330.413 3.520 20 0 EHADRM CC(=O)c1ccc(CC(=O)Nc2ccc3[n-]c(=S)oc3c2)cc1 ZINC000769246206 1133250505 /nfs/dbraw/zinc/25/05/05/1133250505.db2.gz UNFTXGAGPPWBIF-UHFFFAOYSA-N -1 0 326.377 3.500 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000769246186 1133250629 /nfs/dbraw/zinc/25/06/29/1133250629.db2.gz TZHZANRZYUBZBA-IFXJQAMLSA-N -1 0 336.416 3.959 20 0 EHADRM Cc1cc(=O)[nH]c(-c2cccc(OC(=O)C[C@H]3CCC[C@H]3C)c2)n1 ZINC000769300785 1133256830 /nfs/dbraw/zinc/25/68/30/1133256830.db2.gz UJXHQJMQGZQMPL-TZMCWYRMSA-N -1 0 326.396 3.889 20 0 EHADRM CC(C)([N-]C(=O)C(F)(F)C(F)(F)Cl)c1cc(Cl)ccn1 ZINC001179781983 1133280002 /nfs/dbraw/zinc/28/00/02/1133280002.db2.gz AOWFZPGCBHDSPR-UHFFFAOYSA-N -1 0 333.112 3.553 20 0 EHADRM Cc1ccc(-c2cc(C(=O)N[C@H](C)CC(=O)[O-])c3ccccc3n2)cc1 ZINC000769462945 1133296887 /nfs/dbraw/zinc/29/68/87/1133296887.db2.gz SSFGZEJAFWYRSE-CQSZACIVSA-N -1 0 348.402 3.803 20 0 EHADRM CCC[N@H+](Cc1nc(=O)c2sccc2[n-]1)C[C@]1(C)CCCCO1 ZINC001180367681 1133366961 /nfs/dbraw/zinc/36/69/61/1133366961.db2.gz AWQAUAMSFCUABN-KRWDZBQOSA-N -1 0 335.473 3.568 20 0 EHADRM CCC[C@@H](C(=O)c1ccccc1)N(C)C(=O)C1(C(=O)[O-])CCCCC1 ZINC001180437764 1133370282 /nfs/dbraw/zinc/37/02/82/1133370282.db2.gz DWUTVOXXTSEKID-INIZCTEOSA-N -1 0 345.439 3.532 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccccc1[S-] ZINC001181166091 1133467026 /nfs/dbraw/zinc/46/70/26/1133467026.db2.gz DRINJUUKZXEJSI-MRXNPFEDSA-N -1 0 342.464 3.759 20 0 EHADRM C[C@@H](C(=O)Nc1cc(F)cc(Cl)c1[O-])N1CCc2ccccc21 ZINC000771502308 1133566187 /nfs/dbraw/zinc/56/61/87/1133566187.db2.gz AFKGFJPMGABNBJ-JTQLQIEISA-N -1 0 334.778 3.574 20 0 EHADRM COCc1ccc(CC(=O)Nc2ccc3[n-]c(=S)sc3c2)cc1 ZINC001182198124 1133590707 /nfs/dbraw/zinc/59/07/07/1133590707.db2.gz CYXSOUIDXYJNFD-UHFFFAOYSA-N -1 0 344.461 3.913 20 0 EHADRM Cc1ccc(OC[C@@H](C)NC(=O)c2cc(F)c([O-])c(Cl)c2)cc1 ZINC000772153229 1133652278 /nfs/dbraw/zinc/65/22/78/1133652278.db2.gz URKIGGZAAXGBCQ-LLVKDONJSA-N -1 0 337.778 3.690 20 0 EHADRM Cc1cc(C)n(-c2ccc(NC(=O)c3ccc(F)cc3[O-])cc2F)n1 ZINC001182424545 1133654376 /nfs/dbraw/zinc/65/43/76/1133654376.db2.gz BBSXHWKWNQXWEL-UHFFFAOYSA-N -1 0 343.333 3.725 20 0 EHADRM O=C(Cc1ccc2[nH]cnc2c1)Nc1ccc2[n-]c(=S)sc2c1 ZINC001182843075 1133735431 /nfs/dbraw/zinc/73/54/31/1133735431.db2.gz BHCSFTUDVVTDRT-UHFFFAOYSA-N -1 0 340.433 3.643 20 0 EHADRM Cc1ncc(NC(=O)Cc2ccc([S-])cc2)cc1Br ZINC001183186423 1133777169 /nfs/dbraw/zinc/77/71/69/1133777169.db2.gz RWQBLXUADGMYNR-UHFFFAOYSA-N -1 0 337.242 3.622 20 0 EHADRM COc1ccc(C2=CCN(C(=O)Cc3ccc([S-])cc3)CC2)cc1 ZINC001183190409 1133777619 /nfs/dbraw/zinc/77/76/19/1133777619.db2.gz HHGXTEASASMVSP-UHFFFAOYSA-N -1 0 339.460 3.842 20 0 EHADRM O=C(Nc1nc2c(cccc2Cl)[nH]1)c1ccc2oc(=S)[n-]c2c1 ZINC001183432161 1133805546 /nfs/dbraw/zinc/80/55/46/1133805546.db2.gz GUHNHTPTOQYUGE-UHFFFAOYSA-N -1 0 344.783 3.899 20 0 EHADRM Cc1c(NC(=O)c2ccc(F)cc2[O-])cnn1-c1cccc(C)c1 ZINC001183732987 1133847103 /nfs/dbraw/zinc/84/71/03/1133847103.db2.gz HGIMSVZYTNPSTA-UHFFFAOYSA-N -1 0 325.343 3.586 20 0 EHADRM CO[C@@]1(C)C[C@H]1NC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC001184041774 1133890527 /nfs/dbraw/zinc/89/05/27/1133890527.db2.gz RWPNVSCHGCMMEG-QAPCUYQASA-N -1 0 331.799 3.620 20 0 EHADRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(C(=O)C(C)(C)C)cc2)c1 ZINC000746599873 1133892264 /nfs/dbraw/zinc/89/22/64/1133892264.db2.gz DMTCRPLQNBOUQZ-UHFFFAOYSA-N -1 0 346.452 3.728 20 0 EHADRM Cc1c(C)c(C)c(CC(=O)Nc2n[nH]c(C(F)(F)F)n2)c(C)c1C ZINC001184422525 1133938607 /nfs/dbraw/zinc/93/86/07/1133938607.db2.gz QTTAYAGQQQWUCZ-UHFFFAOYSA-N -1 0 340.349 3.547 20 0 EHADRM C[C@H](c1ccc(F)cc1)N(C)S(=O)(=O)c1cccc(Cl)c1[O-] ZINC001184937225 1134002488 /nfs/dbraw/zinc/00/24/88/1134002488.db2.gz KNKJVCRLAVCYQN-SNVBAGLBSA-N -1 0 343.807 3.566 20 0 EHADRM Cc1ccc(NC(=O)c2n[n-]c3ccccc3c2=O)cc1OC(C)C ZINC000787630895 1134022271 /nfs/dbraw/zinc/02/22/71/1134022271.db2.gz XLUMYPIZYBLRSJ-UHFFFAOYSA-N -1 0 337.379 3.683 20 0 EHADRM O=S(=O)([N-]c1cc(-c2cccc(F)c2)ccn1)c1ccsc1 ZINC001185341950 1134075367 /nfs/dbraw/zinc/07/53/67/1134075367.db2.gz OZUUBQWTXPYNLN-UHFFFAOYSA-N -1 0 334.397 3.750 20 0 EHADRM O=S(=O)([N-]c1ccc2nc(Cl)sc2c1)c1ccsc1 ZINC001185383700 1134075920 /nfs/dbraw/zinc/07/59/20/1134075920.db2.gz FRTXQWHIDMJHEF-UHFFFAOYSA-N -1 0 330.843 3.812 20 0 EHADRM Cc1ccc2c(CC(=O)Nc3cc(C(=O)[O-])c(C)cc3C)c[nH]c2c1 ZINC000788090612 1134078772 /nfs/dbraw/zinc/07/87/72/1134078772.db2.gz LRKNSRVCHKIKSL-UHFFFAOYSA-N -1 0 336.391 3.973 20 0 EHADRM COc1ccccc1[C@@H]1C[C@@H]1C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000788090952 1134079058 /nfs/dbraw/zinc/07/90/58/1134079058.db2.gz WZJYJYILOPUISI-HOTGVXAUSA-N -1 0 339.391 3.752 20 0 EHADRM Cc1ccc(CNC(=O)Nc2c(Cl)c(F)[n-]c(=O)c2Cl)cc1 ZINC001185368539 1134080904 /nfs/dbraw/zinc/08/09/04/1134080904.db2.gz CDVDTQPRXKSAMM-UHFFFAOYSA-N -1 0 344.173 3.863 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cc3ccccc3s2)n(C(C)(C)C)n1 ZINC001185425294 1134082601 /nfs/dbraw/zinc/08/26/01/1134082601.db2.gz MJJHKUIMUZLVTD-UHFFFAOYSA-N -1 0 349.481 3.962 20 0 EHADRM O=S(=O)([N-]c1cc(O)c(F)cc1F)c1cc2ccccc2s1 ZINC001185458922 1134091083 /nfs/dbraw/zinc/09/10/83/1134091083.db2.gz BVNIOGMBUWAEFY-UHFFFAOYSA-N -1 0 341.360 3.686 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)Nc1cccc(C(C)=O)c1)C(=O)[O-] ZINC000788321758 1134113583 /nfs/dbraw/zinc/11/35/83/1134113583.db2.gz MLYZKZINZQNJAT-GOSISDBHSA-N -1 0 334.416 3.824 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1CC(C)C ZINC001185914009 1134150644 /nfs/dbraw/zinc/15/06/44/1134150644.db2.gz JKJPFZXUUBFZRJ-UHFFFAOYSA-N -1 0 347.436 3.693 20 0 EHADRM COc1ccc(-c2cc(NC(=O)c3cccc([S-])c3)n(C)n2)cc1 ZINC001186130432 1134172182 /nfs/dbraw/zinc/17/21/82/1134172182.db2.gz SZXHTMBISWOGRF-UHFFFAOYSA-N -1 0 339.420 3.637 20 0 EHADRM O=C(Nc1n[nH]c2ccc(Br)cc21)c1cccc([S-])c1 ZINC001186131875 1134173245 /nfs/dbraw/zinc/17/32/45/1134173245.db2.gz MJVKGNQNPBQEBG-UHFFFAOYSA-N -1 0 348.225 3.866 20 0 EHADRM O=C(c1cccc([S-])c1)N1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001186140175 1134173901 /nfs/dbraw/zinc/17/39/01/1134173901.db2.gz AQFKNYXUDORCQW-NJAFHUGGSA-N -1 0 331.481 3.643 20 0 EHADRM O=C(c1cccc([S-])c1)N1C[C@@H]2C[C@H]1CN2c1ccccc1Cl ZINC001186152227 1134176520 /nfs/dbraw/zinc/17/65/20/1134176520.db2.gz IBWJXMMFZZLCMI-KBPBESRZSA-N -1 0 344.867 3.732 20 0 EHADRM O=S(=O)([N-]c1ccc2cnoc2c1)c1csc2ccccc21 ZINC001186499520 1134223203 /nfs/dbraw/zinc/22/32/03/1134223203.db2.gz XGXPILSIXBACBR-UHFFFAOYSA-N -1 0 330.390 3.843 20 0 EHADRM O=C([O-])c1ccnc(/C=C/c2cnn(Cc3ccccc3)c2Cl)c1 ZINC000789148546 1134230095 /nfs/dbraw/zinc/23/00/95/1134230095.db2.gz RBVHHFSWXGKGRD-VOTSOKGWSA-N -1 0 339.782 3.848 20 0 EHADRM Cc1ccnc2cc(NC(=O)c3cc(F)c(F)c([O-])c3F)ccc12 ZINC001186779785 1134256898 /nfs/dbraw/zinc/25/68/98/1134256898.db2.gz MBLWZKZSYLKVLE-UHFFFAOYSA-N -1 0 332.281 3.918 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2ccco2)cc1-c1ccccc1 ZINC001186856923 1134269492 /nfs/dbraw/zinc/26/94/92/1134269492.db2.gz CYQHJOMVKABBRC-UHFFFAOYSA-N -1 0 329.377 3.756 20 0 EHADRM O=S(=O)([N-]c1ccc2sc(C(F)(F)F)nc2c1)c1ccco1 ZINC001186858767 1134269782 /nfs/dbraw/zinc/26/97/82/1134269782.db2.gz JUOIMTUPTWBGCB-UHFFFAOYSA-N -1 0 348.327 3.709 20 0 EHADRM CC(C)c1cc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)on1 ZINC001187179675 1134305634 /nfs/dbraw/zinc/30/56/34/1134305634.db2.gz GVWKUTGTRJXXLQ-UHFFFAOYSA-N -1 0 326.443 3.539 20 0 EHADRM CSc1cc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)ccn1 ZINC001187188494 1134307271 /nfs/dbraw/zinc/30/72/71/1134307271.db2.gz CZSLAALPJPCGFU-UHFFFAOYSA-N -1 0 340.495 3.545 20 0 EHADRM O=S(=O)([N-]c1cccc2ncccc12)c1cc2c(s1)CCCC2 ZINC001187174182 1134311329 /nfs/dbraw/zinc/31/13/29/1134311329.db2.gz VDYMSNVVMFDRJT-UHFFFAOYSA-N -1 0 344.461 3.976 20 0 EHADRM Cc1oncc1S(=O)(=O)[N-]c1ccccc1Oc1ccc(F)cc1 ZINC001187321128 1134323024 /nfs/dbraw/zinc/32/30/24/1134323024.db2.gz BYHIOLSTWGURQW-UHFFFAOYSA-N -1 0 348.355 3.715 20 0 EHADRM CC(C)c1nc(-c2ccc(C(=O)Nc3ccc(F)c(O)c3)cc2)no1 ZINC001187512522 1134339995 /nfs/dbraw/zinc/33/99/95/1134339995.db2.gz OKFSZHGYRITTRT-UHFFFAOYSA-N -1 0 341.342 3.957 20 0 EHADRM Cc1ccccc1-c1cccc([N-]S(=O)(=O)c2nccs2)c1 ZINC001187894613 1134394027 /nfs/dbraw/zinc/39/40/27/1134394027.db2.gz OHYWGJPXDCKVGO-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM COc1ccc2c(c1[N-]S(=O)(=O)c1cc3ccccc3o1)CCC2 ZINC000790408695 1134412123 /nfs/dbraw/zinc/41/21/23/1134412123.db2.gz HCBKKUXLJRVNJP-UHFFFAOYSA-N -1 0 343.404 3.731 20 0 EHADRM CCCC[C@@H](CCC)C[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC001188016738 1134416941 /nfs/dbraw/zinc/41/69/41/1134416941.db2.gz CONRJEFBPKTZQV-LLVKDONJSA-N -1 0 337.407 3.989 20 0 EHADRM CC[C@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1F)c1ccccc1 ZINC000790477569 1134422178 /nfs/dbraw/zinc/42/21/78/1134422178.db2.gz GAMKHGUEBQGGOO-WMLDXEAASA-N -1 0 347.361 3.791 20 0 EHADRM CCCC[C@H](CC)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000790477363 1134423888 /nfs/dbraw/zinc/42/38/88/1134423888.db2.gz DINOLFYBBFXDFE-XHDPSFHLSA-N -1 0 327.371 3.813 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)sc2c1)c1nnsc1C1CC1 ZINC001188093170 1134427265 /nfs/dbraw/zinc/42/72/65/1134427265.db2.gz QMRWTMLQTAARNI-UHFFFAOYSA-N -1 0 334.451 3.566 20 0 EHADRM Cc1ccc(C(C)C)c([O-])c1C(=O)N=c1cc[nH]cc1C(F)(F)F ZINC001188161533 1134440436 /nfs/dbraw/zinc/44/04/36/1134440436.db2.gz BOHVHQPFPZUQAL-UHFFFAOYSA-N -1 0 338.329 3.912 20 0 EHADRM Cc1noc(C)c1[N-]S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1 ZINC001188431346 1134462289 /nfs/dbraw/zinc/46/22/89/1134462289.db2.gz VEDCBXKSUWVICU-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM Cc1cc(C)c(CCNS(=O)(=O)c2sccc2Cl)c(C)c1 ZINC001188489163 1134468133 /nfs/dbraw/zinc/46/81/33/1134468133.db2.gz LXWBPVLRHAGOFL-UHFFFAOYSA-N -1 0 343.901 3.848 20 0 EHADRM O=S(=O)([N-]c1c(F)cccc1OC1CCCC1)c1ccoc1 ZINC001188614438 1134483221 /nfs/dbraw/zinc/48/32/21/1134483221.db2.gz ZDMBGUOVZUNIOK-UHFFFAOYSA-N -1 0 325.361 3.541 20 0 EHADRM O=C(N[C@@H]1CCCc2cccnc21)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188588902 1134485760 /nfs/dbraw/zinc/48/57/60/1134485760.db2.gz YTPRXXQKBONIPJ-CYBMUJFWSA-N -1 0 336.313 3.613 20 0 EHADRM Cc1cc(CSc2nc(-c3ccccc3)c(C)c(=O)[nH]2)c(C)nn1 ZINC001189102581 1134544903 /nfs/dbraw/zinc/54/49/03/1134544903.db2.gz AYCJZUCEGMFEDC-UHFFFAOYSA-N -1 0 338.436 3.857 20 0 EHADRM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)on1 ZINC001189191827 1134549940 /nfs/dbraw/zinc/54/99/40/1134549940.db2.gz UJPZVHAGDBIMIG-NSHDSACASA-N -1 0 336.413 3.582 20 0 EHADRM CC(C)Cc1cc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)on1 ZINC001189356136 1134580136 /nfs/dbraw/zinc/58/01/36/1134580136.db2.gz MEZYSUVILXRTPA-UHFFFAOYSA-N -1 0 348.399 3.966 20 0 EHADRM O=S(=O)([N-]c1cccc(Cl)n1)c1ccc(F)c2ccccc21 ZINC001189354936 1134580151 /nfs/dbraw/zinc/58/01/51/1134580151.db2.gz BYPXCNZNLGTMCW-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM O=S(=O)(Cc1cccc(F)c1F)[N-]c1ccccc1OC(F)F ZINC001189454135 1134590243 /nfs/dbraw/zinc/59/02/43/1134590243.db2.gz JDGVNLLRCWSJBA-UHFFFAOYSA-N -1 0 349.305 3.508 20 0 EHADRM CC(C)c1cc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)on1 ZINC001189494483 1134592461 /nfs/dbraw/zinc/59/24/61/1134592461.db2.gz GIKSFYQKXLHCCM-UHFFFAOYSA-N -1 0 348.346 3.759 20 0 EHADRM O=S(=O)([N-]c1scnc1C1CC1)C1=Cc2ccccc2OCC1 ZINC000775286628 1134618351 /nfs/dbraw/zinc/61/83/51/1134618351.db2.gz AMDLVLYKGKEMCO-UHFFFAOYSA-N -1 0 348.449 3.586 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2OC)cc1 ZINC000775297455 1134619791 /nfs/dbraw/zinc/61/97/91/1134619791.db2.gz QEUONJYCIZVJHO-UHFFFAOYSA-N -1 0 341.816 3.548 20 0 EHADRM C[C@@H](NC(=O)c1cc(Br)ccc1[S-])c1ccncc1 ZINC001189950994 1134641353 /nfs/dbraw/zinc/64/13/53/1134641353.db2.gz HXMIBDOJMSNZPR-SECBINFHSA-N -1 0 337.242 3.624 20 0 EHADRM CCc1cccc([N-]S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)n1 ZINC001189959341 1134642220 /nfs/dbraw/zinc/64/22/20/1134642220.db2.gz RWMDOAXKCOIRCW-UHFFFAOYSA-N -1 0 348.321 3.603 20 0 EHADRM CC[C@H](C)c1ccc([N-]S(=O)(=O)c2ncc(F)cc2F)cc1 ZINC001190133945 1134659796 /nfs/dbraw/zinc/65/97/96/1134659796.db2.gz LYGWQQXXEUAJIT-JTQLQIEISA-N -1 0 326.368 3.674 20 0 EHADRM Cc1cc2cc([N-]S(=O)(=O)c3cc(F)cc(F)c3F)ccc2o1 ZINC001190389538 1134689527 /nfs/dbraw/zinc/68/95/27/1134689527.db2.gz HSAQXJKFCYQQOY-UHFFFAOYSA-N -1 0 341.310 3.959 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ncc(F)s2)cc1 ZINC001190424250 1134698667 /nfs/dbraw/zinc/69/86/67/1134698667.db2.gz WNFDQAGKWMOKAC-UHFFFAOYSA-N -1 0 328.434 3.771 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(CC(C)C)no2)c1 ZINC001191148506 1134801339 /nfs/dbraw/zinc/80/13/39/1134801339.db2.gz DZQHHYKGVDTKIC-UHFFFAOYSA-N -1 0 345.424 3.531 20 0 EHADRM CCC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C1CCC1 ZINC001191210743 1134817953 /nfs/dbraw/zinc/81/79/53/1134817953.db2.gz GAZQUULBALMQDS-GFCCVEGCSA-N -1 0 337.819 3.865 20 0 EHADRM CC(C)c1ccoc1C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000793108786 1134855754 /nfs/dbraw/zinc/85/57/54/1134855754.db2.gz CXIQRBXUOKZKGP-UHFFFAOYSA-N -1 0 343.404 3.675 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1O ZINC001191822340 1134930815 /nfs/dbraw/zinc/93/08/15/1134930815.db2.gz ZOSAXUGWBXHNDR-UHFFFAOYSA-N -1 0 341.816 3.554 20 0 EHADRM COc1ccc2cc(S(=O)(=O)[N-]c3cc(C)cc(C)n3)ccc2c1 ZINC001191931193 1134943196 /nfs/dbraw/zinc/94/31/96/1134943196.db2.gz FPSPDVZFVFTWFU-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)C(Cl)(Cl)Cl)c(F)c1 ZINC001192041337 1134959150 /nfs/dbraw/zinc/95/91/50/1134959150.db2.gz ULUGDBJKKDNPTL-UHFFFAOYSA-N -1 0 338.640 3.617 20 0 EHADRM Cc1coc([N-]S(=O)(=O)c2ccc(-c3ccc(C)cc3)cc2)n1 ZINC001192063199 1134963478 /nfs/dbraw/zinc/96/34/78/1134963478.db2.gz KAQNAMWQUTUUDG-UHFFFAOYSA-N -1 0 328.393 3.759 20 0 EHADRM Cc1cc(Cl)ncc1S(=O)(=O)Nc1cc(Cl)ccc1[S-] ZINC001192352623 1135004121 /nfs/dbraw/zinc/00/41/21/1135004121.db2.gz ZXCWTJYCXVRRAE-UHFFFAOYSA-N -1 0 349.264 3.786 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2cnc(Cl)cc2C)ccc1Cl ZINC001192356666 1135005482 /nfs/dbraw/zinc/00/54/82/1135005482.db2.gz WIKPEPOZHOFTQL-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM COCc1cc(NC(=O)/C=C\c2ccc(Cl)cc2)cc(C(=O)[O-])c1 ZINC000794004967 1135012606 /nfs/dbraw/zinc/01/26/06/1135012606.db2.gz ONIFIQGHDDQHMV-DAXSKMNVSA-N -1 0 345.782 3.837 20 0 EHADRM O=C(Nc1ccc(S(=O)(=O)[O-])cc1)Nc1ccc2sccc2c1 ZINC001192454415 1135022051 /nfs/dbraw/zinc/02/20/51/1135022051.db2.gz DFZLXEGYZZACNO-UHFFFAOYSA-N -1 0 348.405 3.792 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2csc(Cl)c2)c1 ZINC001192765534 1135052221 /nfs/dbraw/zinc/05/22/21/1135052221.db2.gz BIGYNAGNOJWZKU-UHFFFAOYSA-N -1 0 331.846 3.773 20 0 EHADRM CNc1ccc(C(F)(F)F)cc1NC(=O)c1c([O-])ccc(F)c1F ZINC001192765195 1135052587 /nfs/dbraw/zinc/05/25/87/1135052587.db2.gz UDKTUIYYUGNXPI-UHFFFAOYSA-N -1 0 346.255 3.983 20 0 EHADRM Cc1nc2c(F)cccc2cc1NC(=O)c1ccc(F)c(F)c1[O-] ZINC001192796647 1135056403 /nfs/dbraw/zinc/05/64/03/1135056403.db2.gz FJKGLVQLHOYCKR-UHFFFAOYSA-N -1 0 332.281 3.918 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3onc(C)c3c2)c1 ZINC001192821352 1135058856 /nfs/dbraw/zinc/05/88/56/1135058856.db2.gz ODZYDJICZBTWII-UHFFFAOYSA-N -1 0 346.408 3.508 20 0 EHADRM COc1ccc([C@H](NC(=O)c2cc(F)c([O-])cc2F)C2CC2)cc1 ZINC001192877958 1135062852 /nfs/dbraw/zinc/06/28/52/1135062852.db2.gz ZLVCSJIDHBPYKW-QGZVFWFLSA-N -1 0 333.334 3.560 20 0 EHADRM O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc([O-])c(F)c1F ZINC001192839827 1135064163 /nfs/dbraw/zinc/06/41/63/1135064163.db2.gz MYTUNKKIHLOFRR-UHFFFAOYSA-N -1 0 340.329 3.909 20 0 EHADRM C[C@@H](NC(=O)c1cc(F)c([O-])cc1F)c1cccc(Cl)c1F ZINC001192879503 1135074099 /nfs/dbraw/zinc/07/40/99/1135074099.db2.gz GASGVVNNJZSYLW-SSDOTTSWSA-N -1 0 329.705 3.954 20 0 EHADRM Cc1ccc(NC(=O)c2cc(Cl)nc(Cl)c2[O-])c2n[nH]cc21 ZINC001193089076 1135098724 /nfs/dbraw/zinc/09/87/24/1135098724.db2.gz FQPCWHKSVGZMJE-UHFFFAOYSA-N -1 0 337.166 3.531 20 0 EHADRM Cc1cnc(Cl)nc1C(=O)Nc1c(Cl)ccc([O-])c1Cl ZINC001193244758 1135118299 /nfs/dbraw/zinc/11/82/99/1135118299.db2.gz TYNGYDHVDRLFPK-UHFFFAOYSA-N -1 0 332.574 3.703 20 0 EHADRM Cc1ccccc1Oc1ccccc1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC001193265251 1135120177 /nfs/dbraw/zinc/12/01/77/1135120177.db2.gz RTPNZDZSKDVBEO-HNNXBMFYSA-N -1 0 347.436 3.708 20 0 EHADRM Cc1c[nH]c(C)c1C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1O ZINC001193356235 1135128924 /nfs/dbraw/zinc/12/89/24/1135128924.db2.gz ALDSKJKTUMZATP-UHFFFAOYSA-N -1 0 330.384 3.545 20 0 EHADRM C[C@H](NC(=O)c1ccc(F)c([O-])c1F)c1nc(-c2ccccc2)c[nH]1 ZINC001193793151 1135181089 /nfs/dbraw/zinc/18/10/89/1135181089.db2.gz KRSDBDSMJZYWRQ-JTQLQIEISA-N -1 0 343.333 3.552 20 0 EHADRM CCCCCOC(=O)Nc1ccc2ccccc2c1S(=O)(=O)[O-] ZINC001193769844 1135184868 /nfs/dbraw/zinc/18/48/68/1135184868.db2.gz PBBSUBBWBGGHNG-UHFFFAOYSA-N -1 0 337.397 3.825 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2cccc(CO)c2C)c2ccccc12 ZINC001193862281 1135197650 /nfs/dbraw/zinc/19/76/50/1135197650.db2.gz DEQWJMMHDVARGS-UHFFFAOYSA-N -1 0 341.432 3.750 20 0 EHADRM c1c([N-]c2nn3cc(-c4ccccc4)nc3s2)nn2c1CCCC2 ZINC000804831139 1135205114 /nfs/dbraw/zinc/20/51/14/1135205114.db2.gz FPKWVYCPLLPKRF-UHFFFAOYSA-N -1 0 336.424 3.734 20 0 EHADRM COCCCO[N-]C(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1 ZINC000805042678 1135228554 /nfs/dbraw/zinc/22/85/54/1135228554.db2.gz CDVFKDKAWBZSKU-KRWDZBQOSA-N -1 0 349.427 3.743 20 0 EHADRM CC(C)c1nnc([N-]S(=O)(=O)c2ccc(-c3cccs3)cc2)o1 ZINC001194131389 1135230159 /nfs/dbraw/zinc/23/01/59/1135230159.db2.gz WJNZEOZUGLIMBM-UHFFFAOYSA-N -1 0 349.437 3.722 20 0 EHADRM Cc1nc2c(cccc2NC(=O)c2c(C)[n-]n(-c3ccccc3)c2=O)o1 ZINC001194270648 1135253506 /nfs/dbraw/zinc/25/35/06/1135253506.db2.gz QELVEQAXPWNABG-UHFFFAOYSA-N -1 0 348.362 3.588 20 0 EHADRM O=S(=O)([N-]c1cc(F)ccn1)c1cccc2c(Cl)cccc21 ZINC001194403641 1135265033 /nfs/dbraw/zinc/26/50/33/1135265033.db2.gz NZEAYTYQCYLIAW-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM O=C(Nc1ncc(Cl)cc1[O-])Oc1ccc(Br)cc1 ZINC001194574165 1135288281 /nfs/dbraw/zinc/28/82/81/1135288281.db2.gz GEZBRWMIDQDFMU-UHFFFAOYSA-N -1 0 343.564 3.814 20 0 EHADRM O=S(=O)([N-]c1cccc2sccc21)c1cccc2nccnc21 ZINC001194981651 1135351091 /nfs/dbraw/zinc/35/10/91/1135351091.db2.gz YJGZVYHEXBZMLV-UHFFFAOYSA-N -1 0 341.417 3.645 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cnc(Cl)c(F)c2)c1 ZINC001195120735 1135373231 /nfs/dbraw/zinc/37/32/31/1135373231.db2.gz RKHFBFICOQFNGN-UHFFFAOYSA-N -1 0 328.796 3.798 20 0 EHADRM Cc1cnn(CC2CCC2)c1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC001195120837 1135373566 /nfs/dbraw/zinc/37/35/66/1135373566.db2.gz PMWOCSUVDGVBDM-UHFFFAOYSA-N -1 0 347.484 3.916 20 0 EHADRM O=C(Nc1cc2c(cc1Cl)OCCO2)c1cccc(Cl)c1[O-] ZINC000775644722 1135394028 /nfs/dbraw/zinc/39/40/28/1135394028.db2.gz OSGMSQKGXLSNFN-UHFFFAOYSA-N -1 0 340.162 3.723 20 0 EHADRM CCOc1cc([N-]S(=O)(=O)c2c(C)cccc2Cl)cc(C)n1 ZINC001195277347 1135404136 /nfs/dbraw/zinc/40/41/36/1135404136.db2.gz GCKIOFPXNKIYKW-UHFFFAOYSA-N -1 0 340.832 3.551 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc2ccncc2c1 ZINC001195308444 1135410669 /nfs/dbraw/zinc/41/06/69/1135410669.db2.gz NFQOAMBLHIKWHE-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM COc1c(F)c(F)ccc1[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC001195316331 1135412504 /nfs/dbraw/zinc/41/25/04/1135412504.db2.gz MFIVOEBARBVKBY-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM CCOC(=O)NC(=S)Nc1cc(Cl)c(Cl)c(Cl)c1[O-] ZINC001195493964 1135432864 /nfs/dbraw/zinc/43/28/64/1135432864.db2.gz FUPNPEYTYKPXAD-UHFFFAOYSA-N -1 0 343.619 3.795 20 0 EHADRM CC(C)c1cc(C(C)C)c(C(=O)NCS(=O)(=O)[O-])c(C(C)C)c1 ZINC001195684671 1135450289 /nfs/dbraw/zinc/45/02/89/1135450289.db2.gz QONFDFBHFZRTIO-UHFFFAOYSA-N -1 0 341.473 3.632 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)/C=C/c2ccc(C)cc2)cc1C ZINC000775679337 1135503824 /nfs/dbraw/zinc/50/38/24/1135503824.db2.gz XSBNYOUOUQJARZ-VNDWYCCKSA-N -1 0 333.457 3.884 20 0 EHADRM O=S(=O)([N-]c1cnccc1-c1ccccc1)c1ccc(Cl)cn1 ZINC001196203126 1135530636 /nfs/dbraw/zinc/53/06/36/1135530636.db2.gz CHDRHXWPYFTHIT-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cc1Cl)c1ccc(Cl)cn1 ZINC001196245802 1135541043 /nfs/dbraw/zinc/54/10/43/1135541043.db2.gz SZNYAZJAVRFRQF-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)n2)c(F)c1 ZINC001196347463 1135549629 /nfs/dbraw/zinc/54/96/29/1135549629.db2.gz WNCYKTHXOSUOIY-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnc3cc(F)ccc3c2)c(F)c1 ZINC001196354870 1135550934 /nfs/dbraw/zinc/55/09/34/1135550934.db2.gz XRVNZQZUGOWRNV-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM O=C(c1cc(Cl)ncc1[O-])N1CCC[C@H]1c1ccc(F)cc1F ZINC001196396283 1135555413 /nfs/dbraw/zinc/55/54/13/1135555413.db2.gz QVGQFTYSHNJJLX-ZDUSSCGKSA-N -1 0 338.741 3.696 20 0 EHADRM Cc1cccc([C@H](NC(=O)C(=O)[N-]OC2CCCCC2)C(C)(C)C)c1 ZINC000807703111 1135563773 /nfs/dbraw/zinc/56/37/73/1135563773.db2.gz SGKQRFFLNCSGEO-KRWDZBQOSA-N -1 0 346.471 3.579 20 0 EHADRM CN(Cc1cnc(Cl)s1)C(=O)c1cc(Cl)c(F)cc1[O-] ZINC001196460171 1135569913 /nfs/dbraw/zinc/56/99/13/1135569913.db2.gz SQNBHEPAGWBARP-UHFFFAOYSA-N -1 0 335.187 3.567 20 0 EHADRM O=C(Nc1csc(-c2ccncc2)n1)c1cc(Cl)c(F)cc1[O-] ZINC001196458361 1135570051 /nfs/dbraw/zinc/57/00/51/1135570051.db2.gz HWTIGJZDTOTZKZ-UHFFFAOYSA-N -1 0 349.774 3.956 20 0 EHADRM Cc1nc2c(NC(=O)c3cc(Cl)c(F)cc3[O-])cccn2c1C ZINC001196460285 1135570305 /nfs/dbraw/zinc/57/03/05/1135570305.db2.gz VOMKPHGFISMMLK-UHFFFAOYSA-N -1 0 333.750 3.702 20 0 EHADRM COc1ccc(F)c(S(=O)(=O)[N-]c2ccc3cc(F)ccc3c2)c1 ZINC001196763482 1135603838 /nfs/dbraw/zinc/60/38/38/1135603838.db2.gz WRQNSPAEKJIFJM-UHFFFAOYSA-N -1 0 349.358 3.927 20 0 EHADRM COc1ccc(F)c(S(=O)(=O)[N-]c2cc3c(s2)CCCC3)c1 ZINC001196730567 1135604884 /nfs/dbraw/zinc/60/48/84/1135604884.db2.gz IYMURQPCZDTMHN-UHFFFAOYSA-N -1 0 341.429 3.575 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC001197096926 1135645424 /nfs/dbraw/zinc/64/54/24/1135645424.db2.gz QEJSHZUCFIKKJM-AWEZNQCLSA-N -1 0 344.411 3.710 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2cc(F)nc(F)c2Cl)cc1 ZINC001197077669 1135647439 /nfs/dbraw/zinc/64/74/39/1135647439.db2.gz WRGKSGMNQHPVPN-UHFFFAOYSA-N -1 0 343.742 3.520 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CC[C@H](COCc2ccccc2)C1 ZINC000775759107 1135651379 /nfs/dbraw/zinc/65/13/79/1135651379.db2.gz WHGCKABHSYWNGY-HNNXBMFYSA-N -1 0 345.826 3.725 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NCc2ccccc2C2CC2)cc1 ZINC001197127765 1135652627 /nfs/dbraw/zinc/65/26/27/1135652627.db2.gz BTDFIVVIHRRCLZ-UHFFFAOYSA-N -1 0 326.421 3.749 20 0 EHADRM Cc1ccc(C2(NC(=S)Nc3ccc(C(=O)[O-])cc3)CC2)cc1 ZINC001197129452 1135653577 /nfs/dbraw/zinc/65/35/77/1135653577.db2.gz ADGURRVVSDBIJJ-UHFFFAOYSA-N -1 0 326.421 3.669 20 0 EHADRM COc1c(F)cccc1[C@@H](C)NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197148600 1135654665 /nfs/dbraw/zinc/65/46/65/1135654665.db2.gz ZOUVUBQGSQXXEC-SNVBAGLBSA-N -1 0 348.399 3.580 20 0 EHADRM C[C@@H](OC(=O)c1c(F)cc([O-])cc1F)C(=O)C1(c2ccccc2)CC1 ZINC000808518695 1135685444 /nfs/dbraw/zinc/68/54/44/1135685444.db2.gz GEQOXEFAGMCIDT-LLVKDONJSA-N -1 0 346.329 3.517 20 0 EHADRM O=C(N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1cccc(Cl)c1[O-] ZINC000775783240 1135728169 /nfs/dbraw/zinc/72/81/69/1135728169.db2.gz HTGHQBRSUXADSL-SUMWQHHRSA-N -1 0 345.826 3.943 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2ccc(SC(F)(F)F)cc2)c1 ZINC001198000510 1135760184 /nfs/dbraw/zinc/76/01/84/1135760184.db2.gz ZNVNBCBQMQCWIH-UHFFFAOYSA-N -1 0 348.371 3.803 20 0 EHADRM COc1c(Cl)cc(Cl)cc1[N-]S(=O)(=O)c1cc(C)ccn1 ZINC001198006224 1135761053 /nfs/dbraw/zinc/76/10/53/1135761053.db2.gz QDPCECOOMAEPPH-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2c(C)ccc(Cl)c2Cl)c1 ZINC001198012474 1135761599 /nfs/dbraw/zinc/76/15/99/1135761599.db2.gz QTTBOFUIDBSSAF-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM O=c1cc(NC(=S)Nc2cccc(C(F)(F)F)c2)nc(Cl)[n-]1 ZINC001198029771 1135767623 /nfs/dbraw/zinc/76/76/23/1135767623.db2.gz MZOYBMINXURUNX-UHFFFAOYSA-N -1 0 348.737 3.663 20 0 EHADRM Cc1cnc([N-]S(=O)(=O)c2ccccc2Oc2ccccc2)o1 ZINC001198432568 1135814359 /nfs/dbraw/zinc/81/43/59/1135814359.db2.gz LEKLTTIJTNXHRV-UHFFFAOYSA-N -1 0 330.365 3.576 20 0 EHADRM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1cccc2ccccc21 ZINC001198701484 1135845365 /nfs/dbraw/zinc/84/53/65/1135845365.db2.gz BFOPTYNHELCVPD-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM O=S(=O)([N-]c1cnc2cc(F)ccc2c1)c1ccc2occc2c1 ZINC001198825451 1135857090 /nfs/dbraw/zinc/85/70/90/1135857090.db2.gz DMHFYSXWQLEFIM-UHFFFAOYSA-N -1 0 342.351 3.921 20 0 EHADRM O=S(=O)([N-]c1cccc(C2CCC2)n1)c1ccc2occc2c1 ZINC001198830021 1135857281 /nfs/dbraw/zinc/85/72/81/1135857281.db2.gz YTWUBKODBYWXMM-UHFFFAOYSA-N -1 0 328.393 3.896 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2nc3cc(C)ccc3s2)c(C)c1 ZINC001198905145 1135868692 /nfs/dbraw/zinc/86/86/92/1135868692.db2.gz LUUXKYOMXAKCOJ-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM [O-]C(=NOC/C=C\Cl)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000810206312 1135942978 /nfs/dbraw/zinc/94/29/78/1135942978.db2.gz IPLBDCSEWWCZFA-DJWKRKHSSA-N -1 0 345.211 3.664 20 0 EHADRM CCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000776092991 1135953913 /nfs/dbraw/zinc/95/39/13/1135953913.db2.gz BGUYIQHIJJILLP-CYBMUJFWSA-N -1 0 329.437 3.546 20 0 EHADRM CCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000776101287 1135956299 /nfs/dbraw/zinc/95/62/99/1135956299.db2.gz COLAGHRVKGMEKQ-ZDUSSCGKSA-N -1 0 331.503 3.776 20 0 EHADRM CCCOc1ccc([C@@H](C)N=c2nc(C(C)(C)C)o[n-]2)cc1OC ZINC000543694779 1135958048 /nfs/dbraw/zinc/95/80/48/1135958048.db2.gz CHGYHOLXVKETPX-GFCCVEGCSA-N -1 0 333.432 3.760 20 0 EHADRM CNc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000048854033 1135992571 /nfs/dbraw/zinc/99/25/71/1135992571.db2.gz PKWZDMQHQRZBHL-HNNXBMFYSA-N -1 0 346.346 3.675 20 0 EHADRM COc1ccc(Nc2cc(C)cc(C)c2Cl)c(S(=O)(=O)[O-])c1 ZINC001201597537 1136039263 /nfs/dbraw/zinc/03/92/63/1136039263.db2.gz JYBHHMPRNIVQMD-UHFFFAOYSA-N -1 0 341.816 3.956 20 0 EHADRM Cc1c(C)c(C)c(S(=O)(=O)Nc2ccn3ccnc3c2)c(C)c1C ZINC001201795613 1136063443 /nfs/dbraw/zinc/06/34/43/1136063443.db2.gz SIPZNUFGKWUEIO-UHFFFAOYSA-N -1 0 343.452 3.677 20 0 EHADRM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)Nc1ccccc1Cl ZINC001202065860 1136088410 /nfs/dbraw/zinc/08/84/10/1136088410.db2.gz YWWODYKNSVNRFN-UHFFFAOYSA-N -1 0 328.759 3.875 20 0 EHADRM C[C@@H](CCc1ccccc1)NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811812739 1136140280 /nfs/dbraw/zinc/14/02/80/1136140280.db2.gz YOUFVURKOUSWLC-LBPRGKRZSA-N -1 0 331.799 3.789 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccc(F)c(C(=O)CC)c2)c1 ZINC000812707233 1136235726 /nfs/dbraw/zinc/23/57/26/1136235726.db2.gz CFIRPRNFEGRSPN-UHFFFAOYSA-N -1 0 343.354 3.969 20 0 EHADRM C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)[N-]OC1CCC1 ZINC000812789677 1136247219 /nfs/dbraw/zinc/24/72/19/1136247219.db2.gz KMVSHCNIGCDWKC-HNNXBMFYSA-N -1 0 325.408 3.645 20 0 EHADRM CC(C)OCCO[N-]C(=O)CSc1cc(Cl)ccc1Cl ZINC000812807272 1136254269 /nfs/dbraw/zinc/25/42/69/1136254269.db2.gz HVVNETKLDHRARZ-UHFFFAOYSA-N -1 0 338.256 3.558 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccccc1Cl)C1CC2(C1)CCCCC2 ZINC000850738028 1136298268 /nfs/dbraw/zinc/29/82/68/1136298268.db2.gz BNSVMYUHFFHOBZ-UHFFFAOYSA-N -1 0 341.860 3.505 20 0 EHADRM O=C([N-]S(=O)(=O)c1cccc2ccccc21)[C@H]1CCCC2(CC2)C1 ZINC000850972603 1136324127 /nfs/dbraw/zinc/32/41/27/1136324127.db2.gz BPGHKTKSKXLNHX-HNNXBMFYSA-N -1 0 343.448 3.615 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])[C@H](O)c1ccc(Cl)cc1F ZINC000813519804 1136341534 /nfs/dbraw/zinc/34/15/34/1136341534.db2.gz AIKWCBKVZPRSDM-GFCCVEGCSA-N -1 0 348.132 3.649 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000776525116 1136363653 /nfs/dbraw/zinc/36/36/53/1136363653.db2.gz IJITXTNFFBEPOC-WMLDXEAASA-N -1 0 343.448 3.595 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H]1CCCCC1(C)C ZINC000814020603 1136386902 /nfs/dbraw/zinc/38/69/02/1136386902.db2.gz DJMIUMRLSZZUJJ-HOTGVXAUSA-N -1 0 337.485 3.800 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cc(C)cc(C)c1 ZINC000814020801 1136387087 /nfs/dbraw/zinc/38/70/87/1136387087.db2.gz WFFSSUMRRXNIGC-QGZVFWFLSA-N -1 0 331.437 3.514 20 0 EHADRM CC(C)Oc1ccc([C@H](C)NC(=O)c2ccc(/C=C\C(=O)[O-])o2)cc1 ZINC000851594329 1136395098 /nfs/dbraw/zinc/39/50/98/1136395098.db2.gz IINNKUNUWYLFEQ-FUWURINLSA-N -1 0 343.379 3.656 20 0 EHADRM CNc1ccc(C(F)(F)F)cc1C(=O)NCCCCCCC(=O)[O-] ZINC000851597830 1136395482 /nfs/dbraw/zinc/39/54/82/1136395482.db2.gz BEVGJURTRNRZNN-UHFFFAOYSA-N -1 0 346.349 3.512 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851602340 1136395737 /nfs/dbraw/zinc/39/57/37/1136395737.db2.gz RUDLOQNDFWVSGA-BYIUCRAPSA-N -1 0 341.407 3.861 20 0 EHADRM CC1(C)C[C@H](NC(=O)c2ccc(/C=C\C(=O)[O-])o2)c2ccccc21 ZINC000851608058 1136396196 /nfs/dbraw/zinc/39/61/96/1136396196.db2.gz YLBMBVDZKOSECV-WWRUEGTHSA-N -1 0 325.364 3.530 20 0 EHADRM C[C@H](C(=O)NC[C@H](CC(=O)[O-])C1CC1)c1ccc2ccccc2c1 ZINC000851706019 1136400674 /nfs/dbraw/zinc/40/06/74/1136400674.db2.gz WDPJIDXDKRYWFU-UGSOOPFHSA-N -1 0 325.408 3.560 20 0 EHADRM CCOC(=O)c1[n-]c(NC(=O)[C@H](c2ccccc2)C(C)C)nc1Cl ZINC001134101533 1136406748 /nfs/dbraw/zinc/40/67/48/1136406748.db2.gz SIDPKWRGABLUJM-LBPRGKRZSA-N -1 0 349.818 3.618 20 0 EHADRM CCCCC[C@@H](CC)C(=O)Nc1nc(Cl)c(C(=O)OCC)[n-]1 ZINC001134103636 1136407855 /nfs/dbraw/zinc/40/78/55/1136407855.db2.gz VPYJKJJNVKPXCM-SNVBAGLBSA-N -1 0 329.828 3.785 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1c1ccc2ccc(Br)cc2n1 ZINC000852912545 1136493047 /nfs/dbraw/zinc/49/30/47/1136493047.db2.gz SXCUJCBOUXQKOR-JQWIXIFHSA-N -1 0 349.228 3.687 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]2c2ccccc2)C1 ZINC000852942907 1136493834 /nfs/dbraw/zinc/49/38/34/1136493834.db2.gz NZOXCWZLXZXDOT-RYQLBKOJSA-N -1 0 329.440 3.674 20 0 EHADRM CO[C@H](C)c1nc(C2([N-]C(=O)C(F)(F)F)CCCCC2)cs1 ZINC000853000801 1136497024 /nfs/dbraw/zinc/49/70/24/1136497024.db2.gz HWAMRVJSVQCKPF-SECBINFHSA-N -1 0 336.379 3.688 20 0 EHADRM Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2F)cc1C ZINC000776655401 1136523684 /nfs/dbraw/zinc/52/36/84/1136523684.db2.gz WXUYXTVGEYRAPP-MRXNPFEDSA-N -1 0 333.334 3.527 20 0 EHADRM C[C@H](CC(=O)N[C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-])C1CC1 ZINC000776683086 1136545267 /nfs/dbraw/zinc/54/52/67/1136545267.db2.gz IZYAHSBEASJBMW-YMTOWFKASA-N -1 0 344.238 3.542 20 0 EHADRM CC(C)(C)/C=C\C(=O)N[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000776683091 1136545304 /nfs/dbraw/zinc/54/53/04/1136545304.db2.gz JBOIXPHXCJJEGY-ZFDPJTLLSA-N -1 0 344.238 3.708 20 0 EHADRM C[C@H]1c2ccsc2CCN1C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000854301185 1136605815 /nfs/dbraw/zinc/60/58/15/1136605815.db2.gz KGNYPEWHTMIZEA-VIFPVBQESA-N -1 0 330.434 3.938 20 0 EHADRM CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1cc(-c2ccc(C)o2)ccc1C ZINC000815713960 1136632212 /nfs/dbraw/zinc/63/22/12/1136632212.db2.gz IVOYKVUIRUKUQG-GFCCVEGCSA-N -1 0 344.411 3.596 20 0 EHADRM CN(C)c1ccc(C2(C(=O)Nc3cccc(Cl)c3[O-])CC2)cc1 ZINC000815878159 1136644555 /nfs/dbraw/zinc/64/45/55/1136644555.db2.gz VXTFTWIBRKYYDR-UHFFFAOYSA-N -1 0 330.815 3.782 20 0 EHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000854963733 1136657587 /nfs/dbraw/zinc/65/75/87/1136657587.db2.gz WGWMSCBRJFRTHR-VIFPVBQESA-N -1 0 344.358 3.921 20 0 EHADRM Cc1ccc(N(CC(C)C)C(=O)c2ccc3oc(=O)nc-3[n-]2)c(C)c1 ZINC000855012140 1136660578 /nfs/dbraw/zinc/66/05/78/1136660578.db2.gz JLGNZDMUOKMKPF-UHFFFAOYSA-N -1 0 339.395 3.848 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)CC(C)(C)C2CC2)s1 ZINC000815992434 1136660887 /nfs/dbraw/zinc/66/08/87/1136660887.db2.gz JGZDIJOZIXGODV-UHFFFAOYSA-N -1 0 343.514 3.677 20 0 EHADRM CCC(CC)[C@H](C)C(=O)[N-]S(=O)(=O)[C@H](c1ccccc1)C(C)C ZINC000816112492 1136677713 /nfs/dbraw/zinc/67/77/13/1136677713.db2.gz VZHLBACZRFLYMR-YOEHRIQHSA-N -1 0 339.501 3.902 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@H]1C=CCCC1 ZINC000816113329 1136677917 /nfs/dbraw/zinc/67/79/17/1136677917.db2.gz PSIPOXVLPDPGAT-YJBOKZPZSA-N -1 0 335.469 3.576 20 0 EHADRM CCC[C@H](C(=O)[N-]S(=O)(=O)[C@@H](c1ccccc1)C(C)C)C(C)C ZINC000816112309 1136677927 /nfs/dbraw/zinc/67/79/27/1136677927.db2.gz QSWYAGRMMWYHJG-DLBZAZTESA-N -1 0 339.501 3.902 20 0 EHADRM Cc1cccc(C)c1CS(=O)(=O)[N-]C(=O)C1CCCCCCC1 ZINC000816335066 1136701128 /nfs/dbraw/zinc/70/11/28/1136701128.db2.gz XSVZLDKOYRTIIU-UHFFFAOYSA-N -1 0 337.485 3.610 20 0 EHADRM O=C(Nc1ccc2c(c1)[C@H](O)CCCC2)c1cc(F)c([O-])c(F)c1 ZINC000855549302 1136705146 /nfs/dbraw/zinc/70/51/46/1136705146.db2.gz AQMSCTGYAWOYJH-MRXNPFEDSA-N -1 0 333.334 3.683 20 0 EHADRM O=C([N-]Oc1ccccc1)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000816683849 1136748251 /nfs/dbraw/zinc/74/82/51/1136748251.db2.gz BPGDCNOHJWPCFA-KGLIPLIRSA-N -1 0 337.297 3.799 20 0 EHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCC[C@@H]1Cc1ccccc1 ZINC000816839167 1136756652 /nfs/dbraw/zinc/75/66/52/1136756652.db2.gz WMODDTAXZAMZQA-OAHLLOKOSA-N -1 0 338.432 3.964 20 0 EHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCC[C@H]1Cc1ccccc1 ZINC000816839166 1136756764 /nfs/dbraw/zinc/75/67/64/1136756764.db2.gz WMODDTAXZAMZQA-HNNXBMFYSA-N -1 0 338.432 3.964 20 0 EHADRM O=C(Nc1cccc(-n2cccn2)c1)c1ccc2oc(=S)[n-]c2c1 ZINC000816870694 1136760106 /nfs/dbraw/zinc/76/01/06/1136760106.db2.gz KPLCETVMEUDLSI-UHFFFAOYSA-N -1 0 336.376 3.555 20 0 EHADRM O=C(N[C@@H]1CCc2cc(F)ccc21)c1ccc2oc(=S)[n-]c2c1 ZINC000816900695 1136763489 /nfs/dbraw/zinc/76/34/89/1136763489.db2.gz SOTMLKPMXKYIHS-CYBMUJFWSA-N -1 0 328.368 3.673 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CC(F)(c2ccccc2F)C1 ZINC000816942388 1136768329 /nfs/dbraw/zinc/76/83/29/1136768329.db2.gz NPXPPTKNMCWZGX-UHFFFAOYSA-N -1 0 346.358 3.576 20 0 EHADRM C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccccc2[S-])CC1=O ZINC000170195280 1136783478 /nfs/dbraw/zinc/78/34/78/1136783478.db2.gz NFKHTOKOBCIUHY-HIFRSBDPSA-N -1 0 340.448 3.524 20 0 EHADRM Cc1cc(SC(C)(C)C)ccc1NC(=O)[C@H](C)O[C@@H](C)C(=O)[O-] ZINC000817571619 1136820970 /nfs/dbraw/zinc/82/09/70/1136820970.db2.gz IEDVHCBFRSXTCD-RYUDHWBXSA-N -1 0 339.457 3.702 20 0 EHADRM C[C@@H](O[C@@H](C)C(=O)[O-])C(=O)Nc1ccc(SC(C)(C)C)c(F)c1 ZINC000817571507 1136821001 /nfs/dbraw/zinc/82/10/01/1136821001.db2.gz GJXRWSMVEZSLOP-ZJUUUORDSA-N -1 0 343.420 3.533 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)c1cscc1C(F)(F)F ZINC000856925354 1136824775 /nfs/dbraw/zinc/82/47/75/1136824775.db2.gz SLAQDTQOZKXBAO-UHFFFAOYSA-N -1 0 337.363 3.922 20 0 EHADRM O=C([O-])[C@H]1CC[C@@H](c2ccccc2)N1C(=O)c1ccc(CF)cc1 ZINC000856980180 1136829662 /nfs/dbraw/zinc/82/96/62/1136829662.db2.gz LMPIIXSGLKQROL-DLBZAZTESA-N -1 0 327.355 3.587 20 0 EHADRM Cc1cc(C)c(/C=C/C(=O)N[C@@H](C)c2ncc(C(=O)[O-])s2)cc1C ZINC000856993152 1136831065 /nfs/dbraw/zinc/83/10/65/1136831065.db2.gz LDYDEQKMVKZGAG-GFUIURDCSA-N -1 0 344.436 3.657 20 0 EHADRM O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccc(Cl)c([O-])c1 ZINC001135990755 1136833190 /nfs/dbraw/zinc/83/31/90/1136833190.db2.gz OKAMHYSZJXIDQT-UHFFFAOYSA-N -1 0 330.771 3.646 20 0 EHADRM Cc1cnc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c([O-])c1 ZINC001136073036 1136851691 /nfs/dbraw/zinc/85/16/91/1136851691.db2.gz PFLMJKOGFYEDLS-UHFFFAOYSA-N -1 0 344.374 3.891 20 0 EHADRM CC(C)(C)c1nsc(NC(=O)c2cccc(C(F)(F)F)c2[O-])n1 ZINC000857446143 1136871861 /nfs/dbraw/zinc/87/18/61/1136871861.db2.gz GRQKRSBCCBMFOW-UHFFFAOYSA-N -1 0 345.346 3.812 20 0 EHADRM O=C([N-]OCc1cccnc1)C(F)(F)c1cccc(Cl)c1Cl ZINC000857474045 1136874945 /nfs/dbraw/zinc/87/49/45/1136874945.db2.gz PHGNKPDAECMJEK-UHFFFAOYSA-N -1 0 347.148 3.728 20 0 EHADRM O=C(COc1cc(Cl)cc(Cl)c1)[N-]OCc1ccc(F)cc1 ZINC000857485045 1136876534 /nfs/dbraw/zinc/87/65/34/1136876534.db2.gz PJZSZILYNPPVFV-UHFFFAOYSA-N -1 0 344.169 3.759 20 0 EHADRM Cc1cccc(CNC(=O)c2nn(-c3cccc(C(C)C)c3)cc2[O-])c1 ZINC001136138804 1136877065 /nfs/dbraw/zinc/87/70/65/1136877065.db2.gz DJOQEVOXLLRSNS-UHFFFAOYSA-N -1 0 349.434 3.940 20 0 EHADRM C[C@@H]1CCC[C@H](NC(=O)c2cc(Br)c(F)cc2[O-])C1 ZINC001136204659 1136929683 /nfs/dbraw/zinc/92/96/83/1136929683.db2.gz VFOCKBBRYIIKPB-BDAKNGLRSA-N -1 0 330.197 3.602 20 0 EHADRM CC(C)CCn1nccc1NC(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000820063799 1136972816 /nfs/dbraw/zinc/97/28/16/1136972816.db2.gz VIVZPDQYFMKUJV-UHFFFAOYSA-N -1 0 330.413 3.611 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)N3CCC[C@@H]4CCC[C@H]43)c([O-])c2)o1 ZINC000820296618 1136985459 /nfs/dbraw/zinc/98/54/59/1136985459.db2.gz WTFMEGPKLSJEPB-SUMWQHHRSA-N -1 0 339.391 3.869 20 0 EHADRM COCCOc1cc(C)ccc1NC(=O)c1ccc(Cl)c([O-])c1 ZINC001136326680 1136989030 /nfs/dbraw/zinc/98/90/30/1136989030.db2.gz LWBZVPNXHITFPJ-UHFFFAOYSA-N -1 0 335.787 3.632 20 0 EHADRM CC[C@H]1C[C@@H](C)CN1C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000820478135 1136994329 /nfs/dbraw/zinc/99/43/29/1136994329.db2.gz AMIYSLDUYJNAQS-OCCSQVGLSA-N -1 0 327.380 3.725 20 0 EHADRM CC(C)c1cccc(C(C)C)c1NC(=O)c1c[n-]n2c1nccc2=O ZINC001136346418 1136995487 /nfs/dbraw/zinc/99/54/87/1136995487.db2.gz KAKXAWUYAFHQKG-UHFFFAOYSA-N -1 0 338.411 3.522 20 0 EHADRM O=C(c1ccc2[nH]c(=O)nc-2[n-]1)N(Cc1ccccc1)c1ccccc1 ZINC001136346235 1136995522 /nfs/dbraw/zinc/99/55/22/1136995522.db2.gz BFGBBHHQWGYWPH-UHFFFAOYSA-N -1 0 344.374 3.511 20 0 EHADRM CCCCN(C(=O)Cc1cc(=O)n(CC(C)C)[n-]1)[C@H]1CCC[C@H](C)C1 ZINC000820708838 1137002454 /nfs/dbraw/zinc/00/24/54/1137002454.db2.gz XMQXFSDLDSKZJW-WMZOPIPTSA-N -1 0 349.519 3.582 20 0 EHADRM C[C@@H]([N-]C(=O)C(F)(F)F)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000859177228 1137006776 /nfs/dbraw/zinc/00/67/76/1137006776.db2.gz ZDVJUSHFHBLVRO-SCSAIBSYSA-N -1 0 326.105 3.609 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[O-])CCCO1 ZINC000820846200 1137008442 /nfs/dbraw/zinc/00/84/42/1137008442.db2.gz OPRUPNFGVDPUFC-ZDUSSCGKSA-N -1 0 332.227 3.586 20 0 EHADRM CC(C)N(CC(F)F)C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000821043304 1137015091 /nfs/dbraw/zinc/01/50/91/1137015091.db2.gz RLYROVSBBLFTPC-UHFFFAOYSA-N -1 0 337.322 3.580 20 0 EHADRM Cc1cc(NC(=O)c2cc(Cl)ccc2[O-])n(-c2ccc(F)cc2)n1 ZINC001136575106 1137055654 /nfs/dbraw/zinc/05/56/54/1137055654.db2.gz LHWHHGHSVZAEGV-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM CCCOC(=O)c1ccc(NC(=O)CC2(C(=O)[O-])CCCCC2)cc1 ZINC000013251512 1137060442 /nfs/dbraw/zinc/06/04/42/1137060442.db2.gz QIXHASBGYNUSJO-UHFFFAOYSA-N -1 0 347.411 3.617 20 0 EHADRM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000823025937 1137084760 /nfs/dbraw/zinc/08/47/60/1137084760.db2.gz VUNAXLPSVOTZTM-IRXDYDNUSA-N -1 0 349.390 3.552 20 0 EHADRM COc1ccc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)c2ccccc12 ZINC000013449907 1137086063 /nfs/dbraw/zinc/08/60/63/1137086063.db2.gz BYNHFLCRTKTZTP-UHFFFAOYSA-N -1 0 347.370 3.750 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])[nH]c2c1 ZINC000823340074 1137095747 /nfs/dbraw/zinc/09/57/47/1137095747.db2.gz YZRMAFQWUXIKDX-RLFYNMQTSA-N -1 0 340.423 3.617 20 0 EHADRM Cc1n[nH]c(C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2Cl)c1[O-] ZINC001136714688 1137097842 /nfs/dbraw/zinc/09/78/42/1137097842.db2.gz SRPLPGNTFMSJCM-YFKPBYRVSA-N -1 0 348.617 3.875 20 0 EHADRM CC[C@@H]1CCCN(C(=O)c2nn(-c3cc(C)ccc3F)cc2[O-])CC1 ZINC001136756827 1137108273 /nfs/dbraw/zinc/10/82/73/1137108273.db2.gz SHPSYDIIUBKONO-CQSZACIVSA-N -1 0 345.418 3.678 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)N3CC[C@@H]4CCCC[C@@H]43)c([O-])c2)o1 ZINC000824004530 1137120583 /nfs/dbraw/zinc/12/05/83/1137120583.db2.gz NKHOQHDWOTZJGT-GUYCJALGSA-N -1 0 339.391 3.869 20 0 EHADRM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CCC[C@]2(CC2(F)F)C1 ZINC000824075404 1137124280 /nfs/dbraw/zinc/12/42/80/1137124280.db2.gz QLXNDGZFQJBTIW-ZDUSSCGKSA-N -1 0 336.165 3.960 20 0 EHADRM O=C(c1cccc(F)c1[O-])N1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000824139008 1137125698 /nfs/dbraw/zinc/12/56/98/1137125698.db2.gz IHAGHNLCCKJWOR-BZSNNMDCSA-N -1 0 341.382 3.666 20 0 EHADRM COc1cc(C)c(NC(=O)c2ccc3[n-]c(=S)oc3c2)cc1OC ZINC000118761885 1137131236 /nfs/dbraw/zinc/13/12/36/1137131236.db2.gz WPXQLVSEXAXXBK-UHFFFAOYSA-N -1 0 344.392 3.694 20 0 EHADRM CC1(C)CO[C@H](c2cccc(F)c2)CN1C(=O)c1cccc(F)c1[O-] ZINC000825364947 1137174962 /nfs/dbraw/zinc/17/49/62/1137174962.db2.gz KCTZSZONNITJIU-INIZCTEOSA-N -1 0 347.361 3.663 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ncccc2C(C)C)c(F)c1F ZINC000863440503 1137186893 /nfs/dbraw/zinc/18/68/93/1137186893.db2.gz XMBKIJUBVJQKNJ-UHFFFAOYSA-N -1 0 326.368 3.592 20 0 EHADRM C[C@@H](C(=O)Nc1cncc(O)c1)c1cccc(C(=O)c2ccccc2)c1 ZINC001143836406 1137204460 /nfs/dbraw/zinc/20/44/60/1137204460.db2.gz FZUUZASZUPZMGL-CQSZACIVSA-N -1 0 346.386 3.760 20 0 EHADRM Cc1ccc(CN(CCc2ccccc2)C(=O)CCCC(=O)[O-])s1 ZINC000844245749 1137206551 /nfs/dbraw/zinc/20/65/51/1137206551.db2.gz YTVWFJZEMNLVKQ-UHFFFAOYSA-N -1 0 345.464 3.883 20 0 EHADRM Cc1ccccc1[C@H]1CCCN1C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000864103623 1137214933 /nfs/dbraw/zinc/21/49/33/1137214933.db2.gz OCNDUSGOGHONMH-KBOKABMXSA-N -1 0 325.364 3.663 20 0 EHADRM CN(C(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000864116723 1137216036 /nfs/dbraw/zinc/21/60/36/1137216036.db2.gz IACQMODGRZKEPQ-KSZLIROESA-N -1 0 341.382 3.604 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)CCc1ccc(F)c2ccccc12 ZINC000864118960 1137216048 /nfs/dbraw/zinc/21/60/48/1137216048.db2.gz RDMAUUBKVFQACE-LJQANCHMSA-N -1 0 331.387 3.671 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)C2([C@@H]3CCCCO3)CCC2)c1 ZINC000864122987 1137216254 /nfs/dbraw/zinc/21/62/54/1137216254.db2.gz ZHFBLSIHAOLUTF-AWEZNQCLSA-N -1 0 337.803 3.716 20 0 EHADRM COc1cc(C)cc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1C ZINC000864122944 1137216282 /nfs/dbraw/zinc/21/62/82/1137216282.db2.gz XQFZLYCGSBNUGT-UHFFFAOYSA-N -1 0 341.407 3.927 20 0 EHADRM CCCCCC[C@](C)(NC(=O)c1cnn(C(C)C)c1Cl)C(=O)[O-] ZINC000864131485 1137216510 /nfs/dbraw/zinc/21/65/10/1137216510.db2.gz XJGFHXONAUUCPZ-INIZCTEOSA-N -1 0 343.855 3.661 20 0 EHADRM C[C@H](CC(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1)C(F)(F)F ZINC000864127120 1137216557 /nfs/dbraw/zinc/21/65/57/1137216557.db2.gz PXIADDFHMRWIEK-LDYMZIIASA-N -1 0 337.725 3.561 20 0 EHADRM CC1(C)Cc2ccc(C(=O)NCCCCCCCC(=O)[O-])cc2O1 ZINC000864132423 1137216792 /nfs/dbraw/zinc/21/67/92/1137216792.db2.gz SNFKMKANRHCZLL-UHFFFAOYSA-N -1 0 333.428 3.555 20 0 EHADRM C[C@@H](CCc1ccc(F)cc1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000864132733 1137216800 /nfs/dbraw/zinc/21/68/00/1137216800.db2.gz FRZLTDBRYXJOPD-ZDUSSCGKSA-N -1 0 329.371 3.660 20 0 EHADRM Cc1cc2c(CC(=O)N[C@](C)(CC(=O)[O-])C(C)C)csc2s1 ZINC000864140315 1137216963 /nfs/dbraw/zinc/21/69/63/1137216963.db2.gz AADIJYDEPJKPGC-MRXNPFEDSA-N -1 0 339.482 3.819 20 0 EHADRM Cc1cc(C)cc([C@@H]2CCN(C(=O)/C=C/c3ccc(C(=O)[O-])o3)C2)c1 ZINC000864137491 1137216988 /nfs/dbraw/zinc/21/69/88/1137216988.db2.gz ZIPYTFFPTKHAOZ-CSPWOOARSA-N -1 0 339.391 3.624 20 0 EHADRM CC(C)(CC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000864158168 1137217630 /nfs/dbraw/zinc/21/76/30/1137217630.db2.gz CQWBCQFQYJBUFO-UHFFFAOYSA-N -1 0 341.382 3.734 20 0 EHADRM CN(C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000864177631 1137217966 /nfs/dbraw/zinc/21/79/66/1137217966.db2.gz PUWSZQFVYISCLG-XMTFNYHQSA-N -1 0 329.440 3.672 20 0 EHADRM O=C([O-])C12CCC(CC1)N2C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000864189526 1137218470 /nfs/dbraw/zinc/21/84/70/1137218470.db2.gz PLZZAPGIMCCMOC-UHFFFAOYSA-N -1 0 342.222 3.534 20 0 EHADRM Cc1c[nH]c(-c2ccc(NC(=O)c3c([O-])cccc3Cl)cc2)n1 ZINC001143957999 1137218892 /nfs/dbraw/zinc/21/88/92/1137218892.db2.gz QHIZLAJCLBFZTL-UHFFFAOYSA-N -1 0 327.771 3.996 20 0 EHADRM Cc1cc(C(=O)N[C@@H]2C[C@H]3C[C@@]3(C(=O)[O-])C2)c(C)n1C1CCCCC1 ZINC000864208819 1137218944 /nfs/dbraw/zinc/21/89/44/1137218944.db2.gz MFSUUWJAZGAKJL-BXTJHSDWSA-N -1 0 344.455 3.593 20 0 EHADRM CCC(CC)(CNC(=O)CC1CCC(C(=O)[O-])CC1)C(F)(F)F ZINC000864202074 1137218983 /nfs/dbraw/zinc/21/89/83/1137218983.db2.gz MCJQPUGYAOTRSC-UHFFFAOYSA-N -1 0 337.382 3.752 20 0 EHADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)CCCc1csc3ccccc13)C2 ZINC000864210876 1137219094 /nfs/dbraw/zinc/21/90/94/1137219094.db2.gz VHZQSTXTWUBJGQ-TYILLQQXSA-N -1 0 343.448 3.594 20 0 EHADRM CC1(C)[C@H](c2ccccc2F)CCN1C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000864217079 1137219129 /nfs/dbraw/zinc/21/91/29/1137219129.db2.gz MIPNVPQJTZQEOD-DZKIICNBSA-N -1 0 347.430 3.811 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)c2ccccc21 ZINC000864229748 1137219282 /nfs/dbraw/zinc/21/92/82/1137219282.db2.gz ZYKCNVHQONRRHC-RGPZOAQRSA-N -1 0 327.424 3.808 20 0 EHADRM CC1(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)CCC(F)(F)CC1 ZINC000864227419 1137219326 /nfs/dbraw/zinc/21/93/26/1137219326.db2.gz DZFHEFXRDJVCCJ-LBPRGKRZSA-N -1 0 337.366 3.807 20 0 EHADRM C[C@@H]1CC[C@@H](CCC(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)O1 ZINC000864225965 1137219369 /nfs/dbraw/zinc/21/93/69/1137219369.db2.gz UWNHMJDLGJXLQT-DOMZBBRYSA-N -1 0 327.380 3.824 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)Cc2cccc(C3CC3)c2)c2ccccc21 ZINC000864227987 1137219457 /nfs/dbraw/zinc/21/94/57/1137219457.db2.gz JTDYOINJGWJRBS-KRWDZBQOSA-N -1 0 335.403 3.712 20 0 EHADRM O=c1nc(-c2ccc(F)c(F)c2[O-])[nH]c2sc3c(c21)CCCC3 ZINC000864383093 1137225347 /nfs/dbraw/zinc/22/53/47/1137225347.db2.gz RWAKGNWUNWAYHO-UHFFFAOYSA-N -1 0 334.347 3.927 20 0 EHADRM CCCOc1ccc(NC(=O)NCc2ccccc2C(=O)[O-])c(C)c1 ZINC000864590579 1137235773 /nfs/dbraw/zinc/23/57/73/1137235773.db2.gz KDBLAMWMSVOCKY-UHFFFAOYSA-N -1 0 342.395 3.804 20 0 EHADRM O=C([O-])CCCC(=O)c1ccc(-c2cccc3c2OCCO3)cc1 ZINC000864612092 1137236653 /nfs/dbraw/zinc/23/66/53/1137236653.db2.gz SJPZDIYRFZBGJT-UHFFFAOYSA-N -1 0 326.348 3.562 20 0 EHADRM CCSCc1cccc([N-]S(=O)(=O)c2cnc(C)s2)c1 ZINC000339072465 1137275779 /nfs/dbraw/zinc/27/57/79/1137275779.db2.gz RRSAZKUDVTXDJV-UHFFFAOYSA-N -1 0 328.484 3.505 20 0 EHADRM CC(C)(O)C1CCC(C(=O)Nc2ccc3[n-]c(=S)oc3c2)CC1 ZINC000845820410 1137312914 /nfs/dbraw/zinc/31/29/14/1137312914.db2.gz FUHCUNDJHSYIFY-UHFFFAOYSA-N -1 0 334.441 3.632 20 0 EHADRM CCC[C@@](C)(CC)C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000845889647 1137318444 /nfs/dbraw/zinc/31/84/44/1137318444.db2.gz WSRRVCCLZKTOMT-OAHLLOKOSA-N -1 0 331.865 3.502 20 0 EHADRM O=C(C=CC1CCCCCC1)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000846095816 1137331915 /nfs/dbraw/zinc/33/19/15/1137331915.db2.gz JZMNLIGDZHKTDE-ZHACJKMWSA-N -1 0 326.400 3.642 20 0 EHADRM COc1ccc2oc(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)c(C)c2c1 ZINC000846120585 1137334381 /nfs/dbraw/zinc/33/43/81/1137334381.db2.gz AQRNNHSWBOBPDI-ZDUSSCGKSA-N -1 0 347.411 3.617 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)s1 ZINC000339075675 1137376678 /nfs/dbraw/zinc/37/66/78/1137376678.db2.gz PFBPXNWFARJBDW-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM C[C@H](N=c1[n-]c(-c2cc(Cl)cc(Cl)c2)no1)[C@@H]1CCCOC1 ZINC000543727012 1137378938 /nfs/dbraw/zinc/37/89/38/1137378938.db2.gz AGPPUMXLPSDTNL-VHSXEESVSA-N -1 0 342.226 3.692 20 0 EHADRM O=C([O-])c1cc(Br)cc(N[C@@H]2COCc3ccccc32)c1 ZINC001171296767 1137400790 /nfs/dbraw/zinc/40/07/90/1137400790.db2.gz XECAHORJZIIXNG-OAHLLOKOSA-N -1 0 348.196 3.831 20 0 EHADRM CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc(Cl)cc(Cl)c2[O-])C1(C)C ZINC001147632512 1137410239 /nfs/dbraw/zinc/41/02/39/1137410239.db2.gz HVOVNMCBJJFLMG-CHWSQXEVSA-N -1 0 346.254 3.975 20 0 EHADRM C[C@H]1[C@H](c2cccc(Cl)c2)OCCN1C(=O)c1c([O-])cccc1F ZINC001147951809 1137415854 /nfs/dbraw/zinc/41/58/54/1137415854.db2.gz KIVNAIURHGHULD-APPDUMDISA-N -1 0 349.789 3.787 20 0 EHADRM COc1cccc(C(=O)Nc2c(Cl)ccc([O-])c2Cl)c1O ZINC001148201971 1137420383 /nfs/dbraw/zinc/42/03/83/1137420383.db2.gz IIFRBGCHUFAWFU-UHFFFAOYSA-N -1 0 328.151 3.666 20 0 EHADRM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1cc(Cl)ccc1F ZINC001148431036 1137423775 /nfs/dbraw/zinc/42/37/75/1137423775.db2.gz QEHPVZKYNIOKSQ-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM C[C@H]1Cc2ccccc2CN1C(=O)c1ccc(C(F)(F)F)c(O)c1 ZINC001148514811 1137426439 /nfs/dbraw/zinc/42/64/39/1137426439.db2.gz SRWJGRGVWIHROK-NSHDSACASA-N -1 0 335.325 3.998 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N2CCC=C(c3ccco3)C2)s1 ZINC000348200912 1137454301 /nfs/dbraw/zinc/45/43/01/1137454301.db2.gz UHMKDDVLJKLGAN-UHFFFAOYSA-N -1 0 346.456 3.778 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC(C)CC3)cc2)o1 ZINC000773234155 1137480781 /nfs/dbraw/zinc/48/07/81/1137480781.db2.gz OKJIJSIRNCTSTR-UHFFFAOYSA-N -1 0 334.441 3.625 20 0 EHADRM CC(C)(C)CCCC(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000103688834 1137545522 /nfs/dbraw/zinc/54/55/22/1137545522.db2.gz DINCAHPOLUFCTB-UHFFFAOYSA-N -1 0 335.469 3.636 20 0 EHADRM O=S(=O)(Cc1ccc(F)cc1Cl)[N-]c1nc(C2CC2)cs1 ZINC000872002519 1137564209 /nfs/dbraw/zinc/56/42/09/1137564209.db2.gz QIOOCTUVXNCVNX-UHFFFAOYSA-N -1 0 346.836 3.755 20 0 EHADRM Cc1nc([N-]S(=O)(=O)c2ccc(C(C)(C)C)c(F)c2)oc1C ZINC000872002908 1137564302 /nfs/dbraw/zinc/56/43/02/1137564302.db2.gz GOOUEIAQEXWPLG-UHFFFAOYSA-N -1 0 326.393 3.529 20 0 EHADRM C[C@H](N[C@@H](CO)c1cccc(C(F)(F)F)c1)c1cccc(O)c1F ZINC000872093437 1137570950 /nfs/dbraw/zinc/57/09/50/1137570950.db2.gz VVXUKOPGWXXTML-HZMBPMFUSA-N -1 0 343.320 3.934 20 0 EHADRM Cc1ccc(CN2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)cc1C(=O)[O-] ZINC000872159263 1137574396 /nfs/dbraw/zinc/57/43/96/1137574396.db2.gz RCLGJCLFZKAYMO-KUHUBIRLSA-N -1 0 343.398 3.794 20 0 EHADRM O=C([O-])[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000872163236 1137574731 /nfs/dbraw/zinc/57/47/31/1137574731.db2.gz BBKFBHCSYHULCF-BHDSKKPTSA-N -1 0 346.279 3.804 20 0 EHADRM CC[C@](C)(CC(=O)[O-])C(=O)N[C@H](C)c1ccccc1C(F)(F)F ZINC000872838930 1137585358 /nfs/dbraw/zinc/58/53/58/1137585358.db2.gz JSVKTKMCAILBFM-MEBBXXQBSA-N -1 0 331.334 3.774 20 0 EHADRM O=C([O-])C1=C(C(=O)Nc2cccc(CC(F)(F)F)c2)CCCC1 ZINC000872850157 1137585518 /nfs/dbraw/zinc/58/55/18/1137585518.db2.gz RDLXDHMCSZWALD-UHFFFAOYSA-N -1 0 327.302 3.685 20 0 EHADRM CC(C)Oc1c(F)cc(NC(=O)C2=C(C(=O)[O-])CCCC2)cc1F ZINC000872856257 1137585667 /nfs/dbraw/zinc/58/56/67/1137585667.db2.gz YEWBZHKFCWPTFP-UHFFFAOYSA-N -1 0 339.338 3.646 20 0 EHADRM COCCCC[C@H](NC(=O)C1=C(C(=O)[O-])CCCC1)c1ccccc1 ZINC000872862927 1137585778 /nfs/dbraw/zinc/58/57/78/1137585778.db2.gz MEAQZROEVQHAFQ-SFHVURJKSA-N -1 0 345.439 3.616 20 0 EHADRM CC[C@H](NC(=O)C(C)(C)SCC(=O)[O-])c1cccc(Cl)c1 ZINC000872893254 1137586168 /nfs/dbraw/zinc/58/61/68/1137586168.db2.gz IEDVYRUHCFKRHF-LBPRGKRZSA-N -1 0 329.849 3.504 20 0 EHADRM CC[C@H](c1cccc(OC)c1)N(C)C(=O)C1=C(C(=O)[O-])CCCC1 ZINC000872982926 1137587389 /nfs/dbraw/zinc/58/73/89/1137587389.db2.gz OYPSSZSPHIPCDZ-QGZVFWFLSA-N -1 0 331.412 3.560 20 0 EHADRM CCC(CC)(CNC(=O)C[C@H](C(=O)[O-])c1ccccc1)C(F)(F)F ZINC000872996140 1137587596 /nfs/dbraw/zinc/58/75/96/1137587596.db2.gz QCLGTJDQNKERBC-ZDUSSCGKSA-N -1 0 345.361 3.730 20 0 EHADRM Cc1ccc(-c2ccccc2NC(=O)[C@@H](C)O[C@@H](C)C(=O)[O-])s1 ZINC000872994135 1137587658 /nfs/dbraw/zinc/58/76/58/1137587658.db2.gz MSTPQWNHNHFJNM-NEPJUHHUSA-N -1 0 333.409 3.540 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000873001350 1137587700 /nfs/dbraw/zinc/58/77/00/1137587700.db2.gz LIZVSMVIQUETSI-RITPCOANSA-N -1 0 340.203 3.666 20 0 EHADRM CCC(CC)(CC(=O)NCc1ccc(C(F)(F)F)s1)C(=O)[O-] ZINC000873003239 1137587764 /nfs/dbraw/zinc/58/77/64/1137587764.db2.gz KMWWCTYKXRSRSK-UHFFFAOYSA-N -1 0 337.363 3.664 20 0 EHADRM O=C(N[C@H](c1ccc(F)cc1F)C1CC1)c1s[n-]c(=O)c1Cl ZINC001137069361 1137593945 /nfs/dbraw/zinc/59/39/45/1137593945.db2.gz XHLABJZLHLXPHJ-NSHDSACASA-N -1 0 344.770 3.661 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)N1CCC(c2ccsc2)CC1 ZINC000874413101 1137613879 /nfs/dbraw/zinc/61/38/79/1137613879.db2.gz UORVKWQSJPZFHZ-UHFFFAOYSA-N -1 0 344.436 3.536 20 0 EHADRM CC1(C)[C@H](NC(=O)c2cc(Cl)cc(Cl)c2[O-])[C@H]2CCCO[C@@H]21 ZINC001137082139 1137621968 /nfs/dbraw/zinc/62/19/68/1137621968.db2.gz QCKUZNZZWWYQON-FZQKWOKYSA-N -1 0 344.238 3.632 20 0 EHADRM Cc1ccc(NC(=O)c2cc(F)c([O-])c(F)c2)cc1N1CCCC1 ZINC000874944282 1137626790 /nfs/dbraw/zinc/62/67/90/1137626790.db2.gz CXUUMOVPILWCOQ-UHFFFAOYSA-N -1 0 332.350 3.831 20 0 EHADRM O=Cc1ccc(OC(F)(F)F)c(-c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000874970039 1137627251 /nfs/dbraw/zinc/62/72/51/1137627251.db2.gz KORYNFPHBIQOOA-UHFFFAOYSA-N -1 0 328.217 3.902 20 0 EHADRM O=Cc1cc(-c2cccc(C(=O)[O-])c2)ccc1OCc1ccccn1 ZINC000874970704 1137627282 /nfs/dbraw/zinc/62/72/82/1137627282.db2.gz WSCQGBINZCJPNU-UHFFFAOYSA-N -1 0 333.343 3.838 20 0 EHADRM O=Cc1ccc(-c2ccc(-n3nc(C(=O)[O-])c4c3CCCC4)cc2)cc1 ZINC000874971281 1137627301 /nfs/dbraw/zinc/62/73/01/1137627301.db2.gz YTZMDSBYTDNKPB-UHFFFAOYSA-N -1 0 346.386 3.929 20 0 EHADRM C[C@H](Oc1c(-c2ccc(C=O)o2)cc(Cl)c2cccnc21)C(=O)[O-] ZINC000874973055 1137627318 /nfs/dbraw/zinc/62/73/18/1137627318.db2.gz USPIADGHSQBMEE-VIFPVBQESA-N -1 0 345.738 3.813 20 0 EHADRM CC(C)[C@H](CC(F)(F)F)NC(=O)NCc1ccc(O)c(Cl)c1 ZINC000875522618 1137634654 /nfs/dbraw/zinc/63/46/54/1137634654.db2.gz YSVQGDPZCXSKPY-NSHDSACASA-N -1 0 338.757 3.822 20 0 EHADRM O=c1nc(CN2CCC[C@@](F)(c3ccccc3)C2)[n-]c2ccsc21 ZINC000879478051 1137748873 /nfs/dbraw/zinc/74/88/73/1137748873.db2.gz HNOJBGCSNUONBE-SFHVURJKSA-N -1 0 343.427 3.858 20 0 EHADRM O=C(CSc1cc(Cl)ccc1Cl)[N-]O[C@H]1CCCCO1 ZINC000128238199 1137769101 /nfs/dbraw/zinc/76/91/01/1137769101.db2.gz JMBWOFUJEICBLY-ZDUSSCGKSA-N -1 0 336.240 3.660 20 0 EHADRM Cc1ccccc1CCC(=O)[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000129917566 1137832371 /nfs/dbraw/zinc/83/23/71/1137832371.db2.gz HJRCLWMYUBBPQJ-UHFFFAOYSA-N -1 0 345.464 3.556 20 0 EHADRM CCCOc1ccc(S(=O)(=O)[N-]c2ncsc2C2CC2)cc1 ZINC000882771259 1137833906 /nfs/dbraw/zinc/83/39/06/1137833906.db2.gz VENVDSPYHBBJKH-UHFFFAOYSA-N -1 0 338.454 3.610 20 0 EHADRM O=S(=O)([N-]c1ncsc1C1CC1)C1=Cc2ccccc2CC1 ZINC000882770883 1137833951 /nfs/dbraw/zinc/83/39/51/1137833951.db2.gz FUIAWRZTAHOITA-UHFFFAOYSA-N -1 0 332.450 3.750 20 0 EHADRM O=S(=O)(CCc1ccccc1Cl)[N-]c1ncsc1C1CC1 ZINC000882773302 1137834030 /nfs/dbraw/zinc/83/40/30/1137834030.db2.gz IQUVDMKTHBJHBV-UHFFFAOYSA-N -1 0 342.873 3.658 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc2nccnc2c1 ZINC000130143704 1137834447 /nfs/dbraw/zinc/83/44/47/1137834447.db2.gz JSKUHVXIFPVKSS-UHFFFAOYSA-N -1 0 334.162 3.895 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCCC[C@H](C2CCOCC2)C1 ZINC000882908475 1137837663 /nfs/dbraw/zinc/83/76/63/1137837663.db2.gz RZLSHPYCELQQGU-HNNXBMFYSA-N -1 0 337.847 3.715 20 0 EHADRM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c1 ZINC000130475327 1137837800 /nfs/dbraw/zinc/83/78/00/1137837800.db2.gz ZRWQKDHSGWZEMU-UHFFFAOYSA-N -1 0 345.754 3.622 20 0 EHADRM O=C(Cc1cnc2ccccc2c1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000132167811 1137863677 /nfs/dbraw/zinc/86/36/77/1137863677.db2.gz ZHQBYUBWPZMCET-UHFFFAOYSA-N -1 0 335.388 3.846 20 0 EHADRM CC[C@H](NS(=O)(=O)c1cc(F)ccc1Cl)c1nc(C)cs1 ZINC000104759599 1137879276 /nfs/dbraw/zinc/87/92/76/1137879276.db2.gz KOMZBUINIFFYOW-NSHDSACASA-N -1 0 348.852 3.674 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 ZINC000107946136 1137888198 /nfs/dbraw/zinc/88/81/98/1137888198.db2.gz KTMYBKNVVZXYCR-WAIKUNEKSA-N -1 0 329.465 3.597 20 0 EHADRM CCCO[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2O)CC1 ZINC000108228548 1137888998 /nfs/dbraw/zinc/88/89/98/1137888998.db2.gz QPMRNKPUHVRASL-MRXNPFEDSA-N -1 0 327.424 3.967 20 0 EHADRM CC[C@H](C)[C@H]([N-]S(=O)(=O)/C=C/c1ccccc1F)C(F)(F)F ZINC000800045593 1137895627 /nfs/dbraw/zinc/89/56/27/1137895627.db2.gz PIOBGICKSINLEF-CSQTZDQLSA-N -1 0 339.354 3.693 20 0 EHADRM [O-]c1ccc(-c2nc(Cc3ccc4n[nH]cc4c3)no2)cc1Cl ZINC000800119014 1137898351 /nfs/dbraw/zinc/89/83/51/1137898351.db2.gz BOENDZBZCCWZQI-UHFFFAOYSA-N -1 0 326.743 3.563 20 0 EHADRM CC[C@@H]1CCCN1C(=O)N=c1[n-]nc(C(C)(C)c2ccccc2)s1 ZINC000331432912 1137908111 /nfs/dbraw/zinc/90/81/11/1137908111.db2.gz MMIIWOCANCTMJA-CQSZACIVSA-N -1 0 344.484 3.692 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N2CCC[C@H]2c2cccc(C)c2)s1 ZINC000331492197 1137910407 /nfs/dbraw/zinc/91/04/07/1137910407.db2.gz GKGJFRJUMMCCEF-ZDUSSCGKSA-N -1 0 348.497 3.749 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@H](CC)c2ccc(Cl)cc2)s1 ZINC000348296613 1137914819 /nfs/dbraw/zinc/91/48/19/1137914819.db2.gz RVCQCKISLTVGGD-GFCCVEGCSA-N -1 0 338.864 3.839 20 0 EHADRM CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2s[n-]c(=O)c2Cl)C1(C)C ZINC000331751681 1137919288 /nfs/dbraw/zinc/91/92/88/1137919288.db2.gz GCCGGOQOGOUYAV-NXEZZACHSA-N -1 0 346.880 3.558 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)[C@H]2CCCC(F)(F)C2)s[n-]1 ZINC000332004310 1137928310 /nfs/dbraw/zinc/92/83/10/1137928310.db2.gz YCXUMCUQDSCCJM-VIFPVBQESA-N -1 0 343.424 3.761 20 0 EHADRM CCn1nc(C)c([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c1C ZINC000014227614 1137931026 /nfs/dbraw/zinc/93/10/26/1137931026.db2.gz JIFAARHHNAAEEV-UHFFFAOYSA-N -1 0 349.500 3.863 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000332148575 1137933533 /nfs/dbraw/zinc/93/35/33/1137933533.db2.gz PNKYRNGJFOHBOT-OCCSQVGLSA-N -1 0 344.484 3.667 20 0 EHADRM CC(C)(C)C[C@H]1CCCN1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000332163479 1137934066 /nfs/dbraw/zinc/93/40/66/1137934066.db2.gz RAHRKNJPPSHYFC-CYBMUJFWSA-N -1 0 345.418 3.758 20 0 EHADRM CCCc1nc(=NC(=O)N2CCc3sccc3[C@@H]2CC)s[n-]1 ZINC000332221413 1137936326 /nfs/dbraw/zinc/93/63/26/1137936326.db2.gz JENXVHQBTODKRV-NSHDSACASA-N -1 0 336.486 3.515 20 0 EHADRM CC[C@H]1CCc2c(sc3nc(-c4n[nH]c(C5CC5)n4)[n-]c(=O)c23)C1 ZINC000333198749 1137957971 /nfs/dbraw/zinc/95/79/71/1137957971.db2.gz UUYVALSEBJKIRW-QMMMGPOBSA-N -1 0 341.440 3.574 20 0 EHADRM CCc1onc(C)c1[N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000134753732 1137960771 /nfs/dbraw/zinc/96/07/71/1137960771.db2.gz MFTOZHQTKGFSHO-CMDGGOBGSA-N -1 0 326.805 3.611 20 0 EHADRM C[C@]1(Cc2cccs2)CCCN1C(=O)c1s[n-]c(=O)c1Cl ZINC000885253443 1137992853 /nfs/dbraw/zinc/99/28/53/1137992853.db2.gz KCESDXOCZNEURB-CQSZACIVSA-N -1 0 342.873 3.801 20 0 EHADRM CC1(C)C[C@H](CNC(=O)c2cc(F)c([O-])c(Cl)c2)C(C)(C)O1 ZINC000885840045 1138021619 /nfs/dbraw/zinc/02/16/19/1138021619.db2.gz RFAPRESIWBBQFQ-SNVBAGLBSA-N -1 0 329.799 3.508 20 0 EHADRM O=C(CSc1ccc(Br)cc1)[N-]OC1CCCC1 ZINC000135141079 1138180380 /nfs/dbraw/zinc/18/03/80/1138180380.db2.gz BPQBJWYDOREWQO-UHFFFAOYSA-N -1 0 330.247 3.532 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N[C@@H](C2CCCCC2)C(F)(F)F)o1 ZINC000826544026 1138237965 /nfs/dbraw/zinc/23/79/65/1138237965.db2.gz LUVGWOGTTAHMQL-KGXGESDWSA-N -1 0 345.317 3.618 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)N3CCC[C@H]3CCC(C)C)cc2=O)cc1 ZINC000122725219 1138261502 /nfs/dbraw/zinc/26/15/02/1138261502.db2.gz ITRBCHYLPPSLQW-INIZCTEOSA-N -1 0 341.455 3.515 20 0 EHADRM COC(=O)c1cc(O)c(F)cc1NC(=O)Nc1ccc(C)cc1C ZINC001202748789 1138269674 /nfs/dbraw/zinc/26/96/74/1138269674.db2.gz CTEWZRFAAWMVOV-UHFFFAOYSA-N -1 0 332.331 3.579 20 0 EHADRM CC(=O)c1c(F)cc(F)cc1Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203329953 1138293312 /nfs/dbraw/zinc/29/33/12/1138293312.db2.gz MNBMBQZKHOAFTR-UHFFFAOYSA-N -1 0 327.233 3.887 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)N2CCC(C)(C(=O)[O-])CC2)cc1F ZINC000887393243 1138301935 /nfs/dbraw/zinc/30/19/35/1138301935.db2.gz UUJQEAGRPJGEJM-UHFFFAOYSA-N -1 0 336.407 3.842 20 0 EHADRM CC(C)(C)[N@@H+](Cc1ccc(F)cc1)Cc1nc(=O)c2sccc2[n-]1 ZINC000132847301 1138606484 /nfs/dbraw/zinc/60/64/84/1138606484.db2.gz WUWPUJRGPRBVLE-UHFFFAOYSA-N -1 0 345.443 3.924 20 0 EHADRM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1cccnc1C ZINC000337760589 1138661853 /nfs/dbraw/zinc/66/18/53/1138661853.db2.gz KADSKCAJWBBDEZ-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM CC[C@H](N=c1nc([C@@H](C)OC)[n-]s1)c1nc(-c2ccccc2)c[nH]1 ZINC000337882653 1138690133 /nfs/dbraw/zinc/69/01/33/1138690133.db2.gz VSNNKLSWJQGFQZ-YPMHNXCESA-N -1 0 343.456 3.621 20 0 EHADRM O=C(Nc1ccc(OC(F)F)cc1F)c1cc(=O)c2ccccc2[n-]1 ZINC000338301420 1138823225 /nfs/dbraw/zinc/82/32/25/1138823225.db2.gz JBXPDAAAJOISDN-UHFFFAOYSA-N -1 0 348.280 3.521 20 0 EHADRM Cc1occc1CN(C)C(=O)c1c(O)cnc2ccc(Cl)cc21 ZINC000338353894 1138849335 /nfs/dbraw/zinc/84/93/35/1138849335.db2.gz QHSCANWEYDLHCQ-UHFFFAOYSA-N -1 0 330.771 3.767 20 0 EHADRM CCC(=O)c1ccc(C(=O)N=c2[n-]nc(-c3ccsc3)s2)cc1 ZINC000348550639 1139157319 /nfs/dbraw/zinc/15/73/19/1139157319.db2.gz GSNFHVYPJYHRRP-UHFFFAOYSA-N -1 0 343.433 3.534 20 0 EHADRM CC1(C)CC2(CC(NC(=O)c3cc4sccc4c(O)c3)C2)CO1 ZINC000889728041 1139260761 /nfs/dbraw/zinc/26/07/61/1139260761.db2.gz OQFVNSNYOVGOJS-UHFFFAOYSA-N -1 0 331.437 3.684 20 0 EHADRM CC(C)c1cnc([N-]S(=O)(=O)c2ccccc2OC(F)F)s1 ZINC000174011874 1139394348 /nfs/dbraw/zinc/39/43/48/1139394348.db2.gz WOYFMQFBNGKIFW-UHFFFAOYSA-N -1 0 348.396 3.669 20 0 EHADRM Cc1ccc2c(c1)N(C(=O)CSc1n[n-]c(=S)s1)CCC2 ZINC000176277400 1139549158 /nfs/dbraw/zinc/54/91/58/1139549158.db2.gz FHEYLNHRFGXFQE-UHFFFAOYSA-N -1 0 337.495 3.581 20 0 EHADRM CCCCCC[C@](C)(NC(=O)[C@H]1C[C@@H]1c1ccccc1OC)C(=O)[O-] ZINC000777371291 1139912923 /nfs/dbraw/zinc/91/29/23/1139912923.db2.gz JGDOCEZLIWAYSP-GUXCAODWSA-N -1 0 347.455 3.729 20 0 EHADRM CCCCCC[C@](C)(NC(=O)[C@@H]1C[C@@H]1c1ccccc1OC)C(=O)[O-] ZINC000777371292 1139913028 /nfs/dbraw/zinc/91/30/28/1139913028.db2.gz JGDOCEZLIWAYSP-QINHECLXSA-N -1 0 347.455 3.729 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)c(C)o1 ZINC000182791060 1139993107 /nfs/dbraw/zinc/99/31/07/1139993107.db2.gz IPBKIFGXTOKMQK-UHFFFAOYSA-N -1 0 333.413 3.628 20 0 EHADRM C[C@@H](CNC(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1)CC(=O)[O-] ZINC000777397122 1140046384 /nfs/dbraw/zinc/04/63/84/1140046384.db2.gz WMTCCYAPILDSHE-ZVTBTPLYSA-N -1 0 347.411 3.794 20 0 EHADRM C[C@@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC000183964812 1140069726 /nfs/dbraw/zinc/06/97/26/1140069726.db2.gz WRMJHLDLNQVMCF-RTXFEEFZSA-N -1 0 343.345 3.774 20 0 EHADRM C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000185469768 1140151481 /nfs/dbraw/zinc/15/14/81/1140151481.db2.gz VPGYUGQMYORGFX-KOLCDFICSA-N -1 0 348.226 3.612 20 0 EHADRM O=C([N-]OC[C@H]1CCOC1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000189240646 1140329820 /nfs/dbraw/zinc/32/98/20/1140329820.db2.gz IRFDFLCVQXWBKX-MAUKXSAKSA-N -1 0 343.448 3.604 20 0 EHADRM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C1 ZINC000192968458 1140557284 /nfs/dbraw/zinc/55/72/84/1140557284.db2.gz BMLSBGPZGHFTPX-UTXMOHQDSA-N -1 0 333.403 3.626 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000194381177 1140607023 /nfs/dbraw/zinc/60/70/23/1140607023.db2.gz JHDMMHXICJBUGI-MRVPVSSYSA-N -1 0 325.689 3.599 20 0 EHADRM O=C([O-])C1CCC(C(=O)N2CCC[C@@H]2c2ccccc2Cl)CC1 ZINC000194428084 1140609678 /nfs/dbraw/zinc/60/96/78/1140609678.db2.gz HANMOUHZBCITOV-SEEARECTSA-N -1 0 335.831 3.895 20 0 EHADRM C[C@@H](CC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC000194479690 1140610760 /nfs/dbraw/zinc/61/07/60/1140610760.db2.gz XQJQWDVWFKFDFQ-VHRBIJSZSA-N -1 0 343.345 3.569 20 0 EHADRM C[C@H]1CN(Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C[C@@H]1C ZINC000267820981 1140838979 /nfs/dbraw/zinc/83/89/79/1140838979.db2.gz OUXXZDFEBJATRG-QWRGUYRKSA-N -1 0 329.425 3.745 20 0 EHADRM COc1cc(Oc2ccccc2)ccc1NC(=O)CC(C)(C)C(=O)[O-] ZINC000269488852 1141114954 /nfs/dbraw/zinc/11/49/54/1141114954.db2.gz ROVQZWPQDLHVND-UHFFFAOYSA-N -1 0 343.379 3.927 20 0 EHADRM COCCN(C(=O)c1cc(F)c([O-])c(F)c1)[C@@H](C)c1ccccc1 ZINC000273929254 1141447543 /nfs/dbraw/zinc/44/75/43/1141447543.db2.gz HKZAUWVAFJTFEE-LBPRGKRZSA-N -1 0 335.350 3.520 20 0 EHADRM Cc1sc(/C=C\c2csc(-c3ccccn3)n2)nc1C(=O)[O-] ZINC000339113809 1141500808 /nfs/dbraw/zinc/50/08/08/1141500808.db2.gz HQZFWNNQQRDSGO-WAYWQWQTSA-N -1 0 329.406 3.839 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCC[C@@H](c2ccccc2)C1 ZINC000348866929 1141599238 /nfs/dbraw/zinc/59/92/38/1141599238.db2.gz MFMMPQYYJMOULX-GFCCVEGCSA-N -1 0 335.325 3.829 20 0 EHADRM CCc1ccc(/C=C2\CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)cc1 ZINC000008322822 201744388 /nfs/dbraw/zinc/74/43/88/201744388.db2.gz VIMTYZPLTFPIMY-RVDMUPIBSA-N -1 0 346.386 3.601 20 0 EHADRM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000020852228 202055815 /nfs/dbraw/zinc/05/58/15/202055815.db2.gz GGQBMTOYRVQCCD-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM C[C@@H](SCC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C(=O)[O-] ZINC000037405581 202340750 /nfs/dbraw/zinc/34/07/50/202340750.db2.gz BZGDXRNBKCVIED-RXMQYKEDSA-N -1 0 342.631 3.792 20 0 EHADRM CCOc1cccc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)c1 ZINC000071977674 201172222 /nfs/dbraw/zinc/17/22/22/201172222.db2.gz VPVFSJACZZVWFM-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM Cc1coc2ccc(NS(=O)(=O)c3cccc(Cl)c3[O-])cc12 ZINC000436474156 450602458 /nfs/dbraw/zinc/60/24/58/450602458.db2.gz BKZUZHQWUTXGGV-UHFFFAOYSA-N -1 0 337.784 3.901 20 0 EHADRM O=C(Nc1cc([C@@H]2CCCO2)[nH]n1)c1c([O-])cc(Cl)cc1Cl ZINC000526959375 478409322 /nfs/dbraw/zinc/40/93/22/478409322.db2.gz LNOHGXYKOXVXFR-NSHDSACASA-N -1 0 342.182 3.526 20 0 EHADRM O=C([O-])CCCCCCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000036966521 527577592 /nfs/dbraw/zinc/57/75/92/527577592.db2.gz UYLAHIBHSLJVRR-UHFFFAOYSA-N -1 0 332.227 3.687 20 0 EHADRM CCCn1c(S[C@@H](C)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000739377935 597049210 /nfs/dbraw/zinc/04/92/10/597049210.db2.gz JUKJRZPUPDNKKN-VIFPVBQESA-N -1 0 325.821 3.574 20 0 EHADRM COc1ccc(-c2nc(CS[C@H](C)C(=O)[O-])cs2)c(OC)c1 ZINC000739877814 597071320 /nfs/dbraw/zinc/07/13/20/597071320.db2.gz BRGPRWMHLPLCOT-SECBINFHSA-N -1 0 339.438 3.534 20 0 EHADRM O=C([O-])CSCC(=O)Nc1cccc(Sc2ccccc2)c1 ZINC000612597232 597092940 /nfs/dbraw/zinc/09/29/40/597092940.db2.gz GWVTZEALEUZUAX-UHFFFAOYSA-N -1 0 333.434 3.594 20 0 EHADRM O=C([O-])CSCc1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000325983990 597108185 /nfs/dbraw/zinc/10/81/85/597108185.db2.gz FFEWWGQOQOQGCR-UHFFFAOYSA-N -1 0 340.404 3.568 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737745713 597184797 /nfs/dbraw/zinc/18/47/97/597184797.db2.gz XRHWLORMSYXDGS-WMLDXEAASA-N -1 0 338.407 3.724 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N2CCC(C3CCCC3)CC2)c1 ZINC000819557551 597189000 /nfs/dbraw/zinc/18/90/00/597189000.db2.gz ZUZWYYCZFREVKH-UHFFFAOYSA-N -1 0 330.428 3.748 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N2CCC[C@H]2C2CCCCC2)c1 ZINC000738624258 597192598 /nfs/dbraw/zinc/19/25/98/597192598.db2.gz OVQIAEOHJBTXHQ-KRWDZBQOSA-N -1 0 330.428 3.890 20 0 EHADRM O=C([O-])CCCNC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000237984672 597277204 /nfs/dbraw/zinc/27/72/04/597277204.db2.gz SYPPMFNBFAOUQV-UHFFFAOYSA-N -1 0 329.421 3.574 20 0 EHADRM O=C([O-])c1ccc(CS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000390492974 597282205 /nfs/dbraw/zinc/28/22/05/597282205.db2.gz INNPVKDTIKJEAW-UHFFFAOYSA-N -1 0 326.373 3.512 20 0 EHADRM Cc1cc(C)cc(C[C@@H](C)NC(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000818809180 597326598 /nfs/dbraw/zinc/32/65/98/597326598.db2.gz ZXZIBBDIFYYDNH-OAHLLOKOSA-N -1 0 340.423 3.683 20 0 EHADRM C[C@@H](CN(C)C(=O)Nc1ccccc1CC(=O)[O-])c1ccccc1 ZINC000818008905 597329906 /nfs/dbraw/zinc/32/99/06/597329906.db2.gz LWHYCGRLWXAWBH-AWEZNQCLSA-N -1 0 326.396 3.581 20 0 EHADRM CC(C)OCc1cccc(NC(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000817919266 597338003 /nfs/dbraw/zinc/33/80/03/597338003.db2.gz XCEMXBDVIOPLSK-UHFFFAOYSA-N -1 0 342.395 3.883 20 0 EHADRM CC(C)(CNC(=O)Nc1ccccc1CC(=O)[O-])c1cccc(F)c1 ZINC000817842160 597338112 /nfs/dbraw/zinc/33/81/12/597338112.db2.gz XLWBBTHMVXHMMT-UHFFFAOYSA-N -1 0 344.386 3.552 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N[C@H](c1ccccc1)c1ccccn1 ZINC000821474837 598178634 /nfs/dbraw/zinc/17/86/34/598178634.db2.gz NLTHHRGHTPDCQV-GOSISDBHSA-N -1 0 347.374 3.691 20 0 EHADRM O=C([O-])c1cccc(CNCc2csc(-c3ccsc3)n2)c1 ZINC000683176831 598194082 /nfs/dbraw/zinc/19/40/82/598194082.db2.gz SVCPUFLPWYLNSD-UHFFFAOYSA-N -1 0 330.434 3.860 20 0 EHADRM COc1ccc2oc(C)c(C(=O)Nc3ccc(C(=O)[O-])cc3F)c2c1 ZINC000738078344 599704008 /nfs/dbraw/zinc/70/40/08/599704008.db2.gz DHOLQZSDLNIBID-UHFFFAOYSA-N -1 0 343.310 3.839 20 0 EHADRM Cc1ccccc1C[C@@H](C)NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000738768484 599713757 /nfs/dbraw/zinc/71/37/57/599713757.db2.gz LPJPYNYEZPEVDL-GFCCVEGCSA-N -1 0 345.374 3.977 20 0 EHADRM O=C([O-])[C@H](N[C@@H](c1nccs1)c1ccccc1)c1ccc(F)cc1 ZINC000739504567 599715005 /nfs/dbraw/zinc/71/50/05/599715005.db2.gz ZTWUHHHUHWSSLF-HZPDHXFCSA-N -1 0 342.395 3.787 20 0 EHADRM O=C([O-])c1cccc(NC(=O)Cc2c(Cl)cccc2Cl)c1O ZINC000388321278 599718917 /nfs/dbraw/zinc/71/89/17/599718917.db2.gz HTTGYNDWEXITNQ-UHFFFAOYSA-N -1 0 340.162 3.578 20 0 EHADRM CN(CCCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[O-] ZINC000737429331 599723589 /nfs/dbraw/zinc/72/35/89/599723589.db2.gz FJVNOVHCJXUNPI-UHFFFAOYSA-N -1 0 338.713 3.687 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1cc2c(cccc2Cl)s1)C(=O)[O-] ZINC000677305196 599742797 /nfs/dbraw/zinc/74/27/97/599742797.db2.gz OGMFMFAYBWJJCX-SDBXPKJASA-N -1 0 325.817 3.784 20 0 EHADRM CN(CCCC(=O)N(C)c1ccccc1Oc1ccccc1)C(=O)[O-] ZINC000737418621 599746500 /nfs/dbraw/zinc/74/65/00/599746500.db2.gz QILAYUQYVZGWOI-UHFFFAOYSA-N -1 0 342.395 3.832 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[C@H]1C[C@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000236972834 599752119 /nfs/dbraw/zinc/75/21/19/599752119.db2.gz QMQBILAQEIOKBM-JUKXBJQTSA-N -1 0 325.408 3.559 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)[C@]1(C)CCCc2ccccc21 ZINC000738963914 599752141 /nfs/dbraw/zinc/75/21/41/599752141.db2.gz NBCGCULXGIEMLL-LJQANCHMSA-N -1 0 328.364 3.624 20 0 EHADRM CCc1[nH]c(C(=O)N[C@H](c2ccccc2)C2CCC2)c(C)c1C(=O)[O-] ZINC000737243362 599754403 /nfs/dbraw/zinc/75/44/03/599754403.db2.gz YKJJXEVNLYFQTH-GOSISDBHSA-N -1 0 340.423 3.855 20 0 EHADRM CC(C)N(Cc1cccs1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000321084936 599757367 /nfs/dbraw/zinc/75/73/67/599757367.db2.gz FIDUAVILFDSFKZ-UHFFFAOYSA-N -1 0 332.425 3.818 20 0 EHADRM Cc1oc(CN(C)C(=O)Nc2ccc3scnc3c2)cc1C(=O)[O-] ZINC000738968340 599758214 /nfs/dbraw/zinc/75/82/14/599758214.db2.gz ZDOMEFBKAYIYKB-UHFFFAOYSA-N -1 0 345.380 3.560 20 0 EHADRM O=C([O-])CCCCCCNC(=O)N[C@H]1CCCCc2ccccc21 ZINC000738566328 599762818 /nfs/dbraw/zinc/76/28/18/599762818.db2.gz XMYPPEWYJNZSTO-KRWDZBQOSA-N -1 0 332.444 3.788 20 0 EHADRM O=C([O-])CCCCCNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000238152742 599764960 /nfs/dbraw/zinc/76/49/60/599764960.db2.gz XHJZCUKXOWICOR-NEPJUHHUSA-N -1 0 344.238 3.858 20 0 EHADRM CCCc1c(C(=O)Nc2cc(F)c(F)cc2F)[nH]c(C)c1C(=O)[O-] ZINC000737044697 599765507 /nfs/dbraw/zinc/76/55/07/599765507.db2.gz ZBLNHXXFLMCXJI-UHFFFAOYSA-N -1 0 340.301 3.643 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)CSc2ccc(F)cc2)cc1 ZINC000238029501 599767032 /nfs/dbraw/zinc/76/70/32/599767032.db2.gz IGVBKMFARPNVMC-UHFFFAOYSA-N -1 0 333.384 3.574 20 0 EHADRM Cc1csc([C@@H](C)Nc2nc(C)nc3sc(C(=O)[O-])c(C)c32)n1 ZINC000584234622 599767622 /nfs/dbraw/zinc/76/76/22/599767622.db2.gz MMBLISCCMBMMMO-MRVPVSSYSA-N -1 0 348.453 3.944 20 0 EHADRM CC(C)(C)OCc1cccc(CNC(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000236812211 599768276 /nfs/dbraw/zinc/76/82/76/599768276.db2.gz KXYQPIJATHWVKW-UHFFFAOYSA-N -1 0 347.436 3.691 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCC[C@@H]2Cc2ccc(F)cc2)s1 ZINC000538469297 599773242 /nfs/dbraw/zinc/77/32/42/599773242.db2.gz NIGZHBVCISDCDO-CQSZACIVSA-N -1 0 347.411 3.823 20 0 EHADRM CC(C)c1ccc(C(C)(C)NC(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC000591677551 599774440 /nfs/dbraw/zinc/77/44/40/599774440.db2.gz KUELVPBJZWITTF-UHFFFAOYSA-N -1 0 326.396 3.568 20 0 EHADRM CC[C@@H](C)[C@H](C)N(C(=O)Cn1cc(C(=O)[O-])c2ccccc21)C1CC1 ZINC000736871993 599774870 /nfs/dbraw/zinc/77/48/70/599774870.db2.gz YNGGGDFZZCRWAN-KGLIPLIRSA-N -1 0 342.439 3.765 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)O[C@H]1CCc2ccc(Cl)cc21 ZINC000736425015 599792606 /nfs/dbraw/zinc/79/26/06/599792606.db2.gz JMLLKZMPPNTTNW-KBPBESRZSA-N -1 0 325.792 3.553 20 0 EHADRM CC(C)CCC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000621552774 599798791 /nfs/dbraw/zinc/79/87/91/599798791.db2.gz CKLQRAGMCWULBR-UHFFFAOYSA-N -1 0 333.306 3.701 20 0 EHADRM O=C([O-])NCCC(=O)O[C@H](CCc1ccccc1)c1ccccc1 ZINC000739948283 599800164 /nfs/dbraw/zinc/80/01/64/599800164.db2.gz JRNPADMCANOQAH-QGZVFWFLSA-N -1 0 327.380 3.561 20 0 EHADRM CCCCC[C@@H](NC(=O)c1cccc(C(=O)[O-])n1)c1ccccc1 ZINC000736984131 599807287 /nfs/dbraw/zinc/80/72/87/599807287.db2.gz IVMGCRTXMSWEFX-OAHLLOKOSA-N -1 0 326.396 3.831 20 0 EHADRM CC[C@H](CC(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1)C(C)C ZINC000736892243 599807387 /nfs/dbraw/zinc/80/73/87/599807387.db2.gz LRZZYWBXGIPITN-SNVBAGLBSA-N -1 0 335.429 3.847 20 0 EHADRM CCc1[nH]c(C(=O)N2CCC3(CCCCC3)CC2)c(C)c1C(=O)[O-] ZINC000737242967 599812581 /nfs/dbraw/zinc/81/25/81/599812581.db2.gz UVVSPCOJIDSIMF-UHFFFAOYSA-N -1 0 332.444 3.770 20 0 EHADRM COc1ccc(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c(Cl)c1 ZINC000737930326 599813019 /nfs/dbraw/zinc/81/30/19/599813019.db2.gz NXDPFVDKOUSJSV-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)Nc1cc(F)ccc1Cl ZINC000323348351 599819063 /nfs/dbraw/zinc/81/90/63/599819063.db2.gz ZLXCYDYDXYRYCQ-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM CCC[C@@H](NC(=O)Nc1ccc(N(C)C(=O)[O-])cc1)c1ccccn1 ZINC000736972572 599820347 /nfs/dbraw/zinc/82/03/47/599820347.db2.gz HJOWCOAPAALQSA-MRXNPFEDSA-N -1 0 342.399 3.859 20 0 EHADRM CC(C)c1ccc(C2(C(=O)N3CCC[C@@H](C(=O)[O-])C3)CCCC2)cc1 ZINC000736512666 599824349 /nfs/dbraw/zinc/82/43/49/599824349.db2.gz LHAVARPMKVYHDK-QGZVFWFLSA-N -1 0 343.467 3.945 20 0 EHADRM CCCCOc1cc(/C=C(\C(=O)[O-])c2ccncc2)ccc1OC ZINC000736998815 599831142 /nfs/dbraw/zinc/83/11/42/599831142.db2.gz FFYDSIDVUVQOEH-VBKFSLOCSA-N -1 0 327.380 3.894 20 0 EHADRM CC[C@@H](CC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)C(C)C ZINC000736892489 599840536 /nfs/dbraw/zinc/84/05/36/599840536.db2.gz QUYXFIJRHURGBI-AWEZNQCLSA-N -1 0 332.444 3.996 20 0 EHADRM CCn1cc(CC(=O)Nc2cccc(F)c2C(=O)[O-])c2ccccc21 ZINC000737301536 599843206 /nfs/dbraw/zinc/84/32/06/599843206.db2.gz VDRROUPYIZHMOK-UHFFFAOYSA-N -1 0 340.354 3.680 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)c1cc(-c2cccc(F)c2)no1 ZINC000739486185 599844499 /nfs/dbraw/zinc/84/44/99/599844499.db2.gz XWIVKOUUDDUUIR-UHFFFAOYSA-N -1 0 344.273 3.570 20 0 EHADRM CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000736378982 599846659 /nfs/dbraw/zinc/84/66/59/599846659.db2.gz YTWDENUBZCVHTE-MRXNPFEDSA-N -1 0 333.432 3.662 20 0 EHADRM CCOc1ccc(C(=O)Nc2cccc(F)c2C(=O)[O-])cc1OCC ZINC000392204151 599847744 /nfs/dbraw/zinc/84/77/44/599847744.db2.gz LLYUMMBVLNEKAH-UHFFFAOYSA-N -1 0 347.342 3.574 20 0 EHADRM Cc1cc(OCC(=O)Nc2cccc(F)c2C(=O)[O-])ccc1C(C)C ZINC000738473790 599847935 /nfs/dbraw/zinc/84/79/35/599847935.db2.gz UXTUXKAZEXSRNO-UHFFFAOYSA-N -1 0 345.370 3.973 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)c1ccccc1C(F)(F)F ZINC000319681912 599848286 /nfs/dbraw/zinc/84/82/86/599848286.db2.gz UJJCVPIYURWDKD-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM CC(C)c1ccc(NC(=O)CNc2cccc(F)c2C(=O)[O-])cc1 ZINC000736515535 599856560 /nfs/dbraw/zinc/85/65/60/599856560.db2.gz PIEOGIHXZNFDEU-UHFFFAOYSA-N -1 0 330.359 3.698 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)OCCOc1ccc(Cl)cc1 ZINC000740056932 599868221 /nfs/dbraw/zinc/86/82/21/599868221.db2.gz SOOYGDKGZYJFOS-UHFFFAOYSA-N -1 0 335.743 3.666 20 0 EHADRM CSc1ccc(C(=O)COC(=O)c2ccccc2NC(=O)[O-])cc1 ZINC000738196125 599868358 /nfs/dbraw/zinc/86/83/58/599868358.db2.gz NDJIUDMPEHPGFE-UHFFFAOYSA-N -1 0 345.376 3.538 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)c1sccc1OC(F)F ZINC000740077242 599872216 /nfs/dbraw/zinc/87/22/16/599872216.db2.gz HEASMYWPYLXGRY-UHFFFAOYSA-N -1 0 346.282 3.544 20 0 EHADRM O=C([O-])c1ccc(C(=O)OCc2csc(-c3ccoc3)n2)s1 ZINC000740120765 599877034 /nfs/dbraw/zinc/87/70/34/599877034.db2.gz LNRAMQCOHXDFFW-UHFFFAOYSA-N -1 0 335.362 3.520 20 0 EHADRM Cc1ccc(C(C)C)c(OCC(=O)OCc2cc(C(=O)[O-])co2)c1 ZINC000738550017 599877816 /nfs/dbraw/zinc/87/78/16/599877816.db2.gz AXQMNQJQRZVOHG-UHFFFAOYSA-N -1 0 332.352 3.532 20 0 EHADRM C[C@H]1CC[C@H](NC(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)CC1 ZINC000738228093 599878796 /nfs/dbraw/zinc/87/87/96/599878796.db2.gz MITQOPPQGHXVOQ-CTYIDZIISA-N -1 0 345.443 3.685 20 0 EHADRM Cc1ccc2c(c1C)OC[C@H]2NC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000738533135 599881249 /nfs/dbraw/zinc/88/12/49/599881249.db2.gz MCFFVJOTGWESGS-MRXNPFEDSA-N -1 0 340.379 3.565 20 0 EHADRM CC(C)[C@@H](NC(=O)[O-])C(=O)O[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000736684854 599884812 /nfs/dbraw/zinc/88/48/12/599884812.db2.gz NDAKHYCFIHGNQI-QPUJVOFHSA-N -1 0 334.199 3.890 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000736893135 599884887 /nfs/dbraw/zinc/88/48/87/599884887.db2.gz XPARUGKVPBEYGP-ZEERGYAVSA-N -1 0 345.439 3.733 20 0 EHADRM O=C([O-])c1coc(COC(=O)c2csc(-c3ccccc3F)n2)c1 ZINC000740269542 599885245 /nfs/dbraw/zinc/88/52/45/599885245.db2.gz IBCKWRXJPAHVLE-UHFFFAOYSA-N -1 0 347.323 3.597 20 0 EHADRM Cc1ccccc1C1(CNC(=O)Nc2cc(C(=O)[O-])ccc2F)CC1 ZINC000738761188 599891694 /nfs/dbraw/zinc/89/16/94/599891694.db2.gz PELIEJIZPLBNSQ-UHFFFAOYSA-N -1 0 342.370 3.686 20 0 EHADRM Cc1cc(NC(=S)NCCSc2ccccc2)ccc1C(=O)[O-] ZINC000738451874 599891911 /nfs/dbraw/zinc/89/19/11/599891911.db2.gz GXZCGPYCTCZNRE-UHFFFAOYSA-N -1 0 346.477 3.772 20 0 EHADRM CC(C)CCc1ccccc1NC(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000736435257 599892829 /nfs/dbraw/zinc/89/28/29/599892829.db2.gz GDOZBTNRWOEDMI-HNNXBMFYSA-N -1 0 333.432 3.539 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000236729419 599894358 /nfs/dbraw/zinc/89/43/58/599894358.db2.gz ACGQIUDEEDRPMH-RBUKOAKNSA-N -1 0 339.435 3.903 20 0 EHADRM CCOc1ccc([C@H](C)NC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000737194229 599898419 /nfs/dbraw/zinc/89/84/19/599898419.db2.gz BBWVSOLLTRNNFN-LBPRGKRZSA-N -1 0 328.368 3.666 20 0 EHADRM CC(C)C(=O)Nc1cccc(NC(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000736347860 599902807 /nfs/dbraw/zinc/90/28/07/599902807.db2.gz OQQDBUAMLLEADX-UHFFFAOYSA-N -1 0 341.367 3.623 20 0 EHADRM CCN(c1ccc(C)cc1C)S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000477427779 599907086 /nfs/dbraw/zinc/90/70/86/599907086.db2.gz NQSNTDKUEWWZLO-UHFFFAOYSA-N -1 0 347.436 3.525 20 0 EHADRM O=Cc1cc(C(=O)[O-])ccc1OCc1csc(Br)c1 ZINC000740316196 599909909 /nfs/dbraw/zinc/90/99/09/599909909.db2.gz JYFAUZXKHXCVNZ-UHFFFAOYSA-N -1 0 341.182 3.600 20 0 EHADRM CC(C)Oc1ccc(NC(=O)c2cccc(NC(=O)[O-])c2)c(F)c1 ZINC000736493701 599911218 /nfs/dbraw/zinc/91/12/18/599911218.db2.gz AGPHFDJXYHOOPG-UHFFFAOYSA-N -1 0 332.331 3.955 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)NCCCCOCc2ccccc2)c1 ZINC000740030980 599911678 /nfs/dbraw/zinc/91/16/78/599911678.db2.gz MWFCJTQJWAPONU-UHFFFAOYSA-N -1 0 342.395 3.503 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000237190354 599914138 /nfs/dbraw/zinc/91/41/38/599914138.db2.gz KOGLLACOQTVTRR-ZDUSSCGKSA-N -1 0 327.380 3.834 20 0 EHADRM CCC(C)(C)C(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC000736859840 599914455 /nfs/dbraw/zinc/91/44/55/599914455.db2.gz IVEUNSPMFGRTGJ-UHFFFAOYSA-N -1 0 332.425 3.812 20 0 EHADRM Cc1cc(NC(=O)/C=C\c2nc3ccccc3s2)ccc1C(=O)[O-] ZINC000738426284 599918576 /nfs/dbraw/zinc/91/85/76/599918576.db2.gz XEKLZFGHMGYXNM-HJWRWDBZSA-N -1 0 338.388 3.955 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000357680419 599927876 /nfs/dbraw/zinc/92/78/76/599927876.db2.gz GRQCHKGOZDPAAQ-INIZCTEOSA-N -1 0 347.455 3.871 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)NC2CCC(C(F)(F)F)CC2)c1 ZINC000740029129 599929227 /nfs/dbraw/zinc/92/92/27/599929227.db2.gz OICSITITFWJFKS-UHFFFAOYSA-N -1 0 330.306 3.627 20 0 EHADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Oc1cccc(C(C)C)c1 ZINC000738289112 599930830 /nfs/dbraw/zinc/93/08/30/599930830.db2.gz DKCOSCQHARZAQE-UHFFFAOYSA-N -1 0 334.393 3.584 20 0 EHADRM COC(=O)c1sc2ccccc2c1CNc1ccc(C(=O)[O-])cc1 ZINC000737722946 599936243 /nfs/dbraw/zinc/93/62/43/599936243.db2.gz DXUSETCXWAHFHA-UHFFFAOYSA-N -1 0 341.388 3.998 20 0 EHADRM CCCCO[C@H](C)C(=O)OCc1c2ccccc2sc1C(=O)[O-] ZINC000736998810 599945526 /nfs/dbraw/zinc/94/55/26/599945526.db2.gz FDNWUONYADUMPN-LLVKDONJSA-N -1 0 336.409 3.848 20 0 EHADRM O=C([O-])c1cccc(NC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)c1O ZINC000740228482 599950598 /nfs/dbraw/zinc/95/05/98/599950598.db2.gz LVEDJRDVNGJBTJ-IAGOWNOFSA-N -1 0 347.370 3.986 20 0 EHADRM O=C([O-])c1occc1COC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000740281626 599953778 /nfs/dbraw/zinc/95/37/78/599953778.db2.gz NKBGYKCJNFSDIX-DLBZAZTESA-N -1 0 336.343 3.978 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N3Cc4ccccc4C3)c12 ZINC000738363011 599954713 /nfs/dbraw/zinc/95/47/13/599954713.db2.gz ZILWECHEGKDESN-UHFFFAOYSA-N -1 0 325.393 3.527 20 0 EHADRM CC(C)COc1ccc(NC(=O)CCSCC(=O)[O-])cc1Cl ZINC000736448098 599961992 /nfs/dbraw/zinc/96/19/92/599961992.db2.gz GVTVJPCLIWRJCE-UHFFFAOYSA-N -1 0 345.848 3.521 20 0 EHADRM O=C([O-])CSCCC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000739847591 599962416 /nfs/dbraw/zinc/96/24/16/599962416.db2.gz YLHWLOPLOFJIFJ-SFHVURJKSA-N -1 0 335.469 3.632 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)[C@@H](C)c1ccccc1F ZINC000737874552 599971035 /nfs/dbraw/zinc/97/10/35/599971035.db2.gz WHGVONDIGSIALM-OANVXVOSSA-N -1 0 344.338 3.641 20 0 EHADRM CSC[C@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC000738188994 599971524 /nfs/dbraw/zinc/97/15/24/599971524.db2.gz VSLLDRPDICXMGB-VIFPVBQESA-N -1 0 327.471 3.653 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cccn1Cc1cccs1 ZINC000178176181 599983787 /nfs/dbraw/zinc/98/37/87/599983787.db2.gz KNPPPXIKTXTLQA-UHFFFAOYSA-N -1 0 340.404 3.857 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)c1cccc2cccnc21)C(=O)[O-] ZINC000736585145 599987840 /nfs/dbraw/zinc/98/78/40/599987840.db2.gz VEMUEJIZMLOWIT-OAHLLOKOSA-N -1 0 348.402 3.598 20 0 EHADRM C[C@H](CC(=O)OCc1cn2cccc(C(=O)[O-])c2n1)CC(C)(C)C ZINC000736557429 599988434 /nfs/dbraw/zinc/98/84/34/599988434.db2.gz SOANHORFDBJPGV-GFCCVEGCSA-N -1 0 332.400 3.538 20 0 EHADRM Cc1cccc(NC(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])c1C ZINC000738736405 599994064 /nfs/dbraw/zinc/99/40/64/599994064.db2.gz XNPBGTCQRZTTRU-OAHLLOKOSA-N -1 0 344.386 3.508 20 0 EHADRM CC1(c2ccccc2)CC(NC(=O)Nc2ccc(CC(=O)[O-])cc2)C1 ZINC000736740944 599996169 /nfs/dbraw/zinc/99/61/69/599996169.db2.gz HYDVANQSYICQKV-UHFFFAOYSA-N -1 0 338.407 3.556 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)OCCCC(=O)c2ccccc2)c1 ZINC000740035745 599997012 /nfs/dbraw/zinc/99/70/12/599997012.db2.gz GGQKNEIXGVXJAD-UHFFFAOYSA-N -1 0 327.336 3.596 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000740077134 599997227 /nfs/dbraw/zinc/99/72/27/599997227.db2.gz GAWPLWOLHDVEEI-GHMZBOCLSA-N -1 0 335.281 3.544 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)N[C@@H](CC(=O)[O-])c2cccs2)c1 ZINC000737735620 600000568 /nfs/dbraw/zinc/00/05/68/600000568.db2.gz SKPSGBCTCNMMRN-RISCZKNCSA-N -1 0 348.424 3.793 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)CSc2ccc(C)cc2C)c1 ZINC000737934870 600002551 /nfs/dbraw/zinc/00/25/51/600002551.db2.gz IMVZMRYVTILXGO-UHFFFAOYSA-N -1 0 345.420 3.741 20 0 EHADRM CC[C@@H](CC(=O)Nc1cc(OC)ccc1C(=O)[O-])c1ccccc1 ZINC000736891462 600005039 /nfs/dbraw/zinc/00/50/39/600005039.db2.gz BHBNMPUPXVNBCH-ZDUSSCGKSA-N -1 0 327.380 3.916 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)CCCSc2ccc(Cl)cc2)C1 ZINC000013170530 600013498 /nfs/dbraw/zinc/01/34/98/600013498.db2.gz FNYQNOYXDJLJBY-GFCCVEGCSA-N -1 0 341.860 3.536 20 0 EHADRM Cc1cccc(OCCN(C)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000738737637 600015273 /nfs/dbraw/zinc/01/52/73/600015273.db2.gz IKDHQHBLQSHUNH-UHFFFAOYSA-N -1 0 342.395 3.544 20 0 EHADRM Cc1oc(CN(C)Cc2ncc(-c3cccs3)o2)cc1C(=O)[O-] ZINC000571530070 600015904 /nfs/dbraw/zinc/01/59/04/600015904.db2.gz JGISAVDSYSQAJI-UHFFFAOYSA-N -1 0 332.381 3.635 20 0 EHADRM CCOCc1ccccc1CNC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000737177700 600017383 /nfs/dbraw/zinc/01/73/83/600017383.db2.gz HIQAYGQVVYWHNC-UHFFFAOYSA-N -1 0 342.395 3.551 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1NC(=S)NCCCC(=O)[O-] ZINC000738475130 600017866 /nfs/dbraw/zinc/01/78/66/600017866.db2.gz YIBPRZJJANXEJV-UHFFFAOYSA-N -1 0 344.436 3.939 20 0 EHADRM Cc1ccc(Cl)c(O[C@@H](C)C(=O)Oc2cccc(CC(=O)[O-])c2)c1 ZINC000738603224 600024865 /nfs/dbraw/zinc/02/48/65/600024865.db2.gz SDPZTZFBMSYVRI-LBPRGKRZSA-N -1 0 348.782 3.648 20 0 EHADRM CC(C)(Oc1ccc(Cl)cc1)C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000736343700 600025202 /nfs/dbraw/zinc/02/52/02/600025202.db2.gz INWXYUZOBKSGAS-UHFFFAOYSA-N -1 0 348.782 3.730 20 0 EHADRM Cc1cc(O[C@@H](C)C(=O)Oc2cccc(CC(=O)[O-])c2)ccc1Cl ZINC000738464574 600028110 /nfs/dbraw/zinc/02/81/10/600028110.db2.gz HGKVQYZOSXEBCP-LBPRGKRZSA-N -1 0 348.782 3.648 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000739889435 600028478 /nfs/dbraw/zinc/02/84/78/600028478.db2.gz MJMZCRDZRFAKCU-RYUDHWBXSA-N -1 0 330.302 3.588 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000739889280 600028597 /nfs/dbraw/zinc/02/85/97/600028597.db2.gz MJMZCRDZRFAKCU-NWDGAFQWSA-N -1 0 330.302 3.588 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)N[C@@H]2CCc3ccc(F)cc32)c1 ZINC000740043034 600032722 /nfs/dbraw/zinc/03/27/22/600032722.db2.gz OEKAXTZTIFCNNS-OAHLLOKOSA-N -1 0 329.331 3.725 20 0 EHADRM COc1ccccc1C/C(C)=C/C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000237120398 600034501 /nfs/dbraw/zinc/03/45/01/600034501.db2.gz CRFJQKDPOCZMLY-ACCUITESSA-N -1 0 325.364 3.521 20 0 EHADRM COc1ccccc1C/C(C)=C\C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000738124578 600035618 /nfs/dbraw/zinc/03/56/18/600035618.db2.gz SCNFZZOIZJCEMC-KHPPLWFESA-N -1 0 331.393 3.582 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OC(=O)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000738542194 600037978 /nfs/dbraw/zinc/03/79/78/600037978.db2.gz VEJVJYHJDZJEDH-UHFFFAOYSA-N -1 0 346.289 3.726 20 0 EHADRM Cc1oc(-c2ccccc2)nc1C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000738955772 600043013 /nfs/dbraw/zinc/04/30/13/600043013.db2.gz BCPVJWMYCRUCCB-UHFFFAOYSA-N -1 0 348.358 3.504 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Oc2ccccc2OC(F)F)cc1 ZINC000739260088 600045176 /nfs/dbraw/zinc/04/51/76/600045176.db2.gz CPVMYLDQOBWZSX-UHFFFAOYSA-N -1 0 336.290 3.524 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)CCc1ccc(Cl)s1)C2 ZINC000621555767 600047580 /nfs/dbraw/zinc/04/75/80/600047580.db2.gz XXWDCNOMYYDYMA-UHFFFAOYSA-N -1 0 335.812 3.575 20 0 EHADRM Cc1cc(C(=O)[O-])c2sc(NC(=O)CCC3CCCCC3)nc2n1 ZINC000738343678 600048474 /nfs/dbraw/zinc/04/84/74/600048474.db2.gz UINDTPJRMFYALW-UHFFFAOYSA-N -1 0 347.440 3.997 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC000236734045 600050535 /nfs/dbraw/zinc/05/05/35/600050535.db2.gz HXFBALWTRBJDCG-FHERZECASA-N -1 0 347.455 3.645 20 0 EHADRM COc1ccc([C@@H](C)OC(=O)c2cccc(C(=O)[O-])c2)cc1Cl ZINC000737951893 600057321 /nfs/dbraw/zinc/05/73/21/600057321.db2.gz YHNZRIKNJDPPAN-SNVBAGLBSA-N -1 0 334.755 3.965 20 0 EHADRM Cc1occc1-c1nnc(SCc2ccc(F)cc2C(=O)[O-])n1C ZINC000738974969 600058230 /nfs/dbraw/zinc/05/82/30/600058230.db2.gz IURZDGRJDGNLAS-UHFFFAOYSA-N -1 0 347.371 3.513 20 0 EHADRM CC[C@H](CC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-])c1ccccc1 ZINC000358611786 600062150 /nfs/dbraw/zinc/06/21/50/600062150.db2.gz NYRYEROBGZGDKA-SPUZQDLCSA-N -1 0 329.440 3.815 20 0 EHADRM C/C(=C/C(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccccc1Cl ZINC000236676863 600070417 /nfs/dbraw/zinc/07/04/17/600070417.db2.gz ZCKLXQOFTBBQSJ-XFXZXTDPSA-N -1 0 345.782 3.845 20 0 EHADRM C/C(=C\C(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccccc1Cl ZINC000736121487 600072388 /nfs/dbraw/zinc/07/23/88/600072388.db2.gz SGXIFDFSDSLTIV-ZRDIBKRKSA-N -1 0 345.782 3.845 20 0 EHADRM Cc1ccc(-c2nc(CN3Cc4ccc(C(=O)[O-])cc4C3)cs2)o1 ZINC000738489521 600085612 /nfs/dbraw/zinc/08/56/12/600085612.db2.gz AVIRBNMQJDOPNM-UHFFFAOYSA-N -1 0 340.404 3.926 20 0 EHADRM CC(C)Oc1ccccc1CC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736493404 600085929 /nfs/dbraw/zinc/08/59/29/600085929.db2.gz UGKQJJYQPAXHCK-UHFFFAOYSA-N -1 0 346.358 3.884 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)ccc1F ZINC000740005342 600088316 /nfs/dbraw/zinc/08/83/16/600088316.db2.gz GTVBYBYUCRKLGN-STQMWFEESA-N -1 0 332.306 3.797 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2ccc(C(F)(F)F)nc2)ccc1F ZINC000740007850 600090224 /nfs/dbraw/zinc/09/02/24/600090224.db2.gz KYOJEINTGSWNJB-UHFFFAOYSA-N -1 0 343.236 3.582 20 0 EHADRM C[C@@H](CN(C)C(=O)c1ccc(-c2ccc(Cl)cc2)cc1F)C(=O)[O-] ZINC000736576346 600101528 /nfs/dbraw/zinc/10/15/28/600101528.db2.gz YBNHKKMPYLFEFM-NSHDSACASA-N -1 0 349.789 3.939 20 0 EHADRM O=C([O-])c1ccc(-c2noc(Cc3ccc(OC(F)F)cc3)n2)cc1 ZINC000740101478 600110938 /nfs/dbraw/zinc/11/09/38/600110938.db2.gz NBASFUKEHMJEJO-UHFFFAOYSA-N -1 0 346.289 3.627 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)c1cc(Cl)ccc1F ZINC000740290562 600112417 /nfs/dbraw/zinc/11/24/17/600112417.db2.gz OQXWLBAMDOPGEC-UHFFFAOYSA-N -1 0 326.682 3.673 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000740079241 600113260 /nfs/dbraw/zinc/11/32/60/600113260.db2.gz MKXUHTHMNHDXBN-HOCLYGCPSA-N -1 0 332.302 3.510 20 0 EHADRM C[C@@H]1c2ccccc2CCN1C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000736840496 600113618 /nfs/dbraw/zinc/11/36/18/600113618.db2.gz NHDBYGGNAVXXQS-CYBMUJFWSA-N -1 0 339.395 3.952 20 0 EHADRM Cc1ccc2c(Cc3nc(-c4ccc(C(=O)[O-])cc4)no3)c[nH]c2c1 ZINC000738665293 600115654 /nfs/dbraw/zinc/11/56/54/600115654.db2.gz KDGBZDVNCUIQAO-UHFFFAOYSA-N -1 0 333.347 3.815 20 0 EHADRM Cc1ccc2c(c1)[C@H](NC(=O)Nc1ccc(CCC(=O)[O-])cc1)CC2 ZINC000738671144 600116177 /nfs/dbraw/zinc/11/61/77/600116177.db2.gz UANGTYWLDZRTDJ-GOSISDBHSA-N -1 0 338.407 3.821 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)CNc2ccccc2Cl)ccc1F ZINC000740005647 600122467 /nfs/dbraw/zinc/12/24/67/600122467.db2.gz NZHLWGIQOXFDQO-UHFFFAOYSA-N -1 0 337.738 3.620 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)C[C@H](C)c1ccc(F)cc1 ZINC000736187706 600123084 /nfs/dbraw/zinc/12/30/84/600123084.db2.gz YJIUIPGDBDZLMY-NSHDSACASA-N -1 0 344.338 3.826 20 0 EHADRM O=C([O-])Nc1cc(NCc2nc(-c3ccccc3)no2)ccc1F ZINC000740012284 600127765 /nfs/dbraw/zinc/12/77/65/600127765.db2.gz JHTGIOGCSNYWBI-UHFFFAOYSA-N -1 0 328.303 3.578 20 0 EHADRM CC[C@](NCc1csc(-c2ccoc2)n1)(C(=O)[O-])c1ccccc1 ZINC000736921068 600130515 /nfs/dbraw/zinc/13/05/15/600130515.db2.gz VKHKGUKHNWVDJW-GOSISDBHSA-N -1 0 342.420 3.883 20 0 EHADRM Cc1ccc(OC(=O)Cc2csc(C(C)(C)C)n2)c(C(=O)[O-])c1 ZINC000738639989 600131227 /nfs/dbraw/zinc/13/12/27/600131227.db2.gz LJJSHGNCUYPZDU-UHFFFAOYSA-N -1 0 333.409 3.595 20 0 EHADRM CC[C@@](NC(=O)/C=C\c1ccc(Cl)cc1)(C(=O)[O-])c1ccccc1 ZINC000736907116 600132550 /nfs/dbraw/zinc/13/25/50/600132550.db2.gz NYKURUXBFXSTJN-XGCMIMOYSA-N -1 0 343.810 3.860 20 0 EHADRM Cc1ccc(OC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c(C(=O)[O-])c1 ZINC000738642197 600132848 /nfs/dbraw/zinc/13/28/48/600132848.db2.gz ZFOLPIGGFJVFMA-WDEREUQCSA-N -1 0 330.302 3.967 20 0 EHADRM CC[C@@](NCc1ncc(-c2cccs2)o1)(C(=O)[O-])c1ccccc1 ZINC000736920225 600133016 /nfs/dbraw/zinc/13/30/16/600133016.db2.gz KVGOKSOBLGDSPZ-SFHVURJKSA-N -1 0 342.420 3.883 20 0 EHADRM COc1ccc(Cl)cc1CC(=O)Oc1ccc(C)cc1C(=O)[O-] ZINC000738012956 600133446 /nfs/dbraw/zinc/13/34/46/600133446.db2.gz CALNIVMMWRLESN-UHFFFAOYSA-N -1 0 334.755 3.503 20 0 EHADRM CSc1ccsc1C(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC000738211410 600142002 /nfs/dbraw/zinc/14/20/02/600142002.db2.gz WKRHIZGOSZGSFE-UHFFFAOYSA-N -1 0 333.434 3.761 20 0 EHADRM Cc1c(NC(=O)[C@H]2C[C@@H]2c2ccc(N(C)C)cc2)cccc1C(=O)[O-] ZINC000738300887 600142763 /nfs/dbraw/zinc/14/27/63/600142763.db2.gz WUUMLLBUOWASTP-SJORKVTESA-N -1 0 338.407 3.501 20 0 EHADRM O=C([O-])c1ccccc1/C=C1/N=C(c2c(F)cccc2Cl)OC1=O ZINC000740316027 600143323 /nfs/dbraw/zinc/14/33/23/600143323.db2.gz KZJZAMMUJJCYGU-MDWZMJQESA-N -1 0 345.713 3.522 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N[C@@H](C)c1ccccc1)C(=O)[O-] ZINC000237635294 600147563 /nfs/dbraw/zinc/14/75/63/600147563.db2.gz YRLMAWKYLMDDGH-QWHCGFSZSA-N -1 0 329.421 3.743 20 0 EHADRM C[C@H](NC(=O)C(C)(C)NC(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000736633195 600151120 /nfs/dbraw/zinc/15/11/20/600151120.db2.gz OFOOBNRBTFCSPB-ZDUSSCGKSA-N -1 0 326.396 3.577 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000736871067 600151303 /nfs/dbraw/zinc/15/13/03/600151303.db2.gz OOKUDFAPAJKCPQ-BHDSKKPTSA-N -1 0 346.254 3.788 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1cccc(C(F)F)c1 ZINC000737880153 600153904 /nfs/dbraw/zinc/15/39/04/600153904.db2.gz XDQRASKFJHDERN-VURMDHGXSA-N -1 0 348.301 3.950 20 0 EHADRM Cc1ccc2oc(C(=O)Nc3ccc(Cl)cc3C(=O)[O-])cc2n1 ZINC000738680475 600156678 /nfs/dbraw/zinc/15/66/78/600156678.db2.gz KGPSVTUVMGCTET-UHFFFAOYSA-N -1 0 330.727 3.740 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N(C)C[C@H](C)c1ccccc1 ZINC000738529061 600157380 /nfs/dbraw/zinc/15/73/80/600157380.db2.gz TUKWWUIUIXPWFO-AWEZNQCLSA-N -1 0 326.396 3.961 20 0 EHADRM Cc1ccc([C@H](CNC(=O)Cc2cccc3ccccc32)C(=O)[O-])cc1 ZINC000486368184 600160327 /nfs/dbraw/zinc/16/03/27/600160327.db2.gz FFOVGOXJWFCGTQ-FQEVSTJZSA-N -1 0 347.414 3.675 20 0 EHADRM Cc1ccc([C@H](CNC(=O)/C=C/c2ccccc2Cl)C(=O)[O-])cc1 ZINC000738553596 600163044 /nfs/dbraw/zinc/16/30/44/600163044.db2.gz FHGMNULPEHFDLV-OFAQMXQXSA-N -1 0 343.810 3.646 20 0 EHADRM Cc1ccc([C@H](CNC(=O)c2cc3sccc3s2)C(=O)[O-])cc1 ZINC000738566182 600163882 /nfs/dbraw/zinc/16/38/82/600163882.db2.gz ACGQWGPBGRYZBJ-LBPRGKRZSA-N -1 0 345.445 3.869 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)c2cc3cc(C)ccc3o2)C(=O)[O-])cc1 ZINC000486379484 600164739 /nfs/dbraw/zinc/16/47/39/600164739.db2.gz RLWVXBRIQGUONN-MRXNPFEDSA-N -1 0 337.375 3.648 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2csc(Br)c2)c(F)c1 ZINC000063008958 600166774 /nfs/dbraw/zinc/16/67/74/600166774.db2.gz CYTQNDRQOIMFRH-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM CC[C@@](NC(=O)c1cc2ccc(C)cc2[nH]1)(C(=O)[O-])c1ccccc1 ZINC000485374623 600170477 /nfs/dbraw/zinc/17/04/77/600170477.db2.gz HPYQHHQGPIOACP-FQEVSTJZSA-N -1 0 336.391 3.596 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N1CC[C@@H](c2ccccc2F)C1 ZINC000740239775 600172489 /nfs/dbraw/zinc/17/24/89/600172489.db2.gz KZOVVDREWRRVRR-GFCCVEGCSA-N -1 0 328.343 3.545 20 0 EHADRM CC(C)CC[C@@H](NC(=O)NC1CCC(C(=O)[O-])CC1)C(C)(C)C ZINC000736427890 600186616 /nfs/dbraw/zinc/18/66/16/600186616.db2.gz GMPYRXZMTOPIFM-YMAMQOFZSA-N -1 0 326.481 3.780 20 0 EHADRM Cc1cccc(N(Cc2ccccc2)C(=O)CCSCC(=O)[O-])c1 ZINC000738726390 600190590 /nfs/dbraw/zinc/19/05/90/600190590.db2.gz YUFSHVXATHXETC-UHFFFAOYSA-N -1 0 343.448 3.736 20 0 EHADRM Cc1oc(COC(=O)[C@H](C)CSc2ccccc2)cc1C(=O)[O-] ZINC000738982541 600191450 /nfs/dbraw/zinc/19/14/50/600191450.db2.gz QARHOQQLKNFATB-LLVKDONJSA-N -1 0 334.393 3.758 20 0 EHADRM CN(C(=O)c1csc2c1CCCC2)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737348713 600195991 /nfs/dbraw/zinc/19/59/91/600195991.db2.gz ORGKUQFBMCZFAY-MRXNPFEDSA-N -1 0 329.421 3.525 20 0 EHADRM CN(C(=O)c1csc2c1CCCC2)[C@H](C(=O)[O-])c1ccccc1 ZINC000737348710 600196182 /nfs/dbraw/zinc/19/61/82/600196182.db2.gz ORGKUQFBMCZFAY-INIZCTEOSA-N -1 0 329.421 3.525 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2sccc2Br)c(F)c1 ZINC000104286895 600200747 /nfs/dbraw/zinc/20/07/47/600200747.db2.gz BSSCJLGHJXLTBH-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2nccc3ccccc32)c1 ZINC000322641988 600202111 /nfs/dbraw/zinc/20/21/11/600202111.db2.gz YGNUPIJZXAXIHZ-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)C[C@H](C)c2ccccc2C)c1 ZINC000737941019 600206324 /nfs/dbraw/zinc/20/63/24/600206324.db2.gz ZJEYMJRBXWSESJ-ZDUSSCGKSA-N -1 0 328.364 3.801 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000262571866 600207066 /nfs/dbraw/zinc/20/70/66/600207066.db2.gz NEQNUKWEDLZQQL-AWEZNQCLSA-N -1 0 327.380 3.591 20 0 EHADRM COc1ccc(NC(=O)C[C@H](C)c2cccc(F)c2)c(C(=O)[O-])c1 ZINC000738028936 600207570 /nfs/dbraw/zinc/20/75/70/600207570.db2.gz XBVDOPKZYYIPCM-NSHDSACASA-N -1 0 331.343 3.665 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NCC(=O)Nc2ccc(Cl)cc2)c1 ZINC000739309573 600207913 /nfs/dbraw/zinc/20/79/13/600207913.db2.gz SRGLXZFZABIYIL-UHFFFAOYSA-N -1 0 339.178 3.742 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000738756914 600208005 /nfs/dbraw/zinc/20/80/05/600208005.db2.gz QJLVCNWTRHVEEB-KPZWWZAWSA-N -1 0 347.361 3.709 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000740215567 600208838 /nfs/dbraw/zinc/20/88/38/600208838.db2.gz ZQAUKFAZXISIMQ-OAHLLOKOSA-N -1 0 329.783 3.668 20 0 EHADRM CC[C@@H](CC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)C(C)C ZINC000736893373 600211696 /nfs/dbraw/zinc/21/16/96/600211696.db2.gz YZBJUEOSJYEKQW-JTQLQIEISA-N -1 0 329.343 3.997 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)C[C@@H](C)c2ccccc2C)C(=O)[O-])cc1 ZINC000486414706 600212255 /nfs/dbraw/zinc/21/22/55/600212255.db2.gz WFZVBFPEJXQYAD-VQIMIIECSA-N -1 0 339.435 3.782 20 0 EHADRM O=C([O-])c1ccc(NC(=O)/C=C\c2ccccc2)c(OC(F)F)c1 ZINC000739213905 600214200 /nfs/dbraw/zinc/21/42/00/600214200.db2.gz AIBOCMABEUWLIG-TWGQIWQCSA-N -1 0 333.290 3.638 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000262135284 600214950 /nfs/dbraw/zinc/21/49/50/600214950.db2.gz OGVGSGHSBGPZPR-NVXWUHKLSA-N -1 0 341.432 3.772 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2cccc(Cl)c2Cl)c2ccccc21 ZINC000177474066 600226890 /nfs/dbraw/zinc/22/68/90/600226890.db2.gz OXBYGRZHNWFLEB-NSHDSACASA-N -1 0 336.174 3.822 20 0 EHADRM C[C@@H]1CC[C@@H](NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)[C@H](C)C1 ZINC000320694314 600227216 /nfs/dbraw/zinc/22/72/16/600227216.db2.gz ORUKVASHDJPWSF-JRKPZEMJSA-N -1 0 326.343 3.609 20 0 EHADRM CC(C)OCc1cccc(NC(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000736485852 600227228 /nfs/dbraw/zinc/22/72/28/600227228.db2.gz DNJWCNNFOIDVTO-UHFFFAOYSA-N -1 0 328.368 3.954 20 0 EHADRM O=C([O-])c1cc(NC(=O)Nc2cccc3[nH]ccc32)c(F)cc1F ZINC000739457379 600227977 /nfs/dbraw/zinc/22/79/77/600227977.db2.gz BUYCHJVTFCKFAP-UHFFFAOYSA-N -1 0 331.278 3.788 20 0 EHADRM Cc1ccccc1NC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000738779279 600234299 /nfs/dbraw/zinc/23/42/99/600234299.db2.gz YHXWJBYBXNXUSH-UHFFFAOYSA-N -1 0 330.409 3.957 20 0 EHADRM CC(C)(C)[C@@H]1CCc2sc(C(=O)N3CCC[C@H]3C(=O)[O-])cc2C1 ZINC000236672175 600235713 /nfs/dbraw/zinc/23/57/13/600235713.db2.gz LMKPFKGJULQNGY-OLZOCXBDSA-N -1 0 335.469 3.588 20 0 EHADRM Cc1ccc(C[C@@H]2CCCN2C(=O)NCCCCCCC(=O)[O-])cc1 ZINC000738589032 600236111 /nfs/dbraw/zinc/23/61/11/600236111.db2.gz LHCLHWRHZATDGW-SFHVURJKSA-N -1 0 346.471 3.747 20 0 EHADRM O=C([O-])[C@@H]1CCCN1C(=O)c1sc2cccc(Cl)c2c1Cl ZINC000676214800 600236829 /nfs/dbraw/zinc/23/68/29/600236829.db2.gz YDSNVMCSOUURLA-QMMMGPOBSA-N -1 0 344.219 3.897 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)Nc2cc(C(=O)[O-])ccc2F)o1 ZINC000738582591 600240305 /nfs/dbraw/zinc/24/03/05/600240305.db2.gz LBJGMEVTYKAYIN-CQSZACIVSA-N -1 0 332.331 3.794 20 0 EHADRM O=C([O-])c1sccc1NC(=O)c1cccc(Oc2nccs2)c1 ZINC000739489535 600247256 /nfs/dbraw/zinc/24/72/56/600247256.db2.gz UMGJRGYFCDRQBJ-UHFFFAOYSA-N -1 0 346.389 3.947 20 0 EHADRM Cc1ccc(N2CCCC2)c(C(=O)Oc2ccc(C(=O)[O-])cc2)c1 ZINC000738616179 600249045 /nfs/dbraw/zinc/24/90/45/600249045.db2.gz PIFDMXKHHAWLSU-UHFFFAOYSA-N -1 0 325.364 3.513 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)c(C(=O)[O-])[nH]1 ZINC000738421011 600253872 /nfs/dbraw/zinc/25/38/72/600253872.db2.gz BHTZJAUVPRJORT-HZPDHXFCSA-N -1 0 334.375 3.917 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N(C)Cc3ccc(C(=O)[O-])cc3)cc2c1C ZINC000237065659 600254974 /nfs/dbraw/zinc/25/49/74/600254974.db2.gz JHDXPTPBKXLMNS-UHFFFAOYSA-N -1 0 336.391 3.755 20 0 EHADRM CCCCN(CC)c1ccc(C(=O)Nc2cc(C)[nH]c2C(=O)[O-])cc1 ZINC000736993885 600255556 /nfs/dbraw/zinc/25/55/56/600255556.db2.gz JSOGXXIWLXAPOK-UHFFFAOYSA-N -1 0 343.427 3.900 20 0 EHADRM Cc1[nH]c(C(=O)N(C)[C@H](C)Cc2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC000738156298 600259082 /nfs/dbraw/zinc/25/90/82/600259082.db2.gz SILGNBOULDPESR-SNVBAGLBSA-N -1 0 348.830 3.686 20 0 EHADRM CC(C)(NC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1cccs1 ZINC000736324967 600269817 /nfs/dbraw/zinc/26/98/17/600269817.db2.gz SUWTXRLKVOXYLU-UHFFFAOYSA-N -1 0 332.425 3.822 20 0 EHADRM Cc1ccc(NC(=S)Nc2ccc(CNC(=O)[O-])cc2)cc1C ZINC000738626987 600279720 /nfs/dbraw/zinc/27/97/20/600279720.db2.gz AHVHJRKZJYATRH-UHFFFAOYSA-N -1 0 329.425 3.880 20 0 EHADRM O=C([O-])c1ccc2nc(SCCOc3ccc(F)cc3)oc2c1 ZINC000740213124 600279775 /nfs/dbraw/zinc/27/97/75/600279775.db2.gz YMDSXVZWIXNAPQ-UHFFFAOYSA-N -1 0 333.340 3.836 20 0 EHADRM Cc1ccccc1OCCNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000738786736 600283697 /nfs/dbraw/zinc/28/36/97/600283697.db2.gz YQECYRJQHMVMJX-UHFFFAOYSA-N -1 0 348.786 3.547 20 0 EHADRM CN(Cc1ccc(NC(=O)c2csc(C(C)(C)C)n2)cc1)C(=O)[O-] ZINC000737485704 600283866 /nfs/dbraw/zinc/28/38/66/600283866.db2.gz BYLVJQCDEUQVNC-UHFFFAOYSA-N -1 0 347.440 3.803 20 0 EHADRM Cc1ccc(C)c(CC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)c1 ZINC000738574268 600284013 /nfs/dbraw/zinc/28/40/13/600284013.db2.gz XOMFIHYKUVCXJB-UHFFFAOYSA-N -1 0 326.396 3.594 20 0 EHADRM CN(CCOc1ccccc1)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000737449577 600285375 /nfs/dbraw/zinc/28/53/75/600285375.db2.gz SQIZBDJXMNWGFJ-UHFFFAOYSA-N -1 0 348.786 3.581 20 0 EHADRM CN(Cc1ccc(NC(=O)c2ccnc3ccccc32)cc1)C(=O)[O-] ZINC000737485331 600288018 /nfs/dbraw/zinc/28/80/18/600288018.db2.gz INBHTPBQXWJERR-UHFFFAOYSA-N -1 0 335.363 3.597 20 0 EHADRM C[C@@H](CNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)Oc1ccccc1 ZINC000736598057 600289361 /nfs/dbraw/zinc/28/93/61/600289361.db2.gz FZDIRPCBILAWGG-NSHDSACASA-N -1 0 348.786 3.627 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N2CCC[C@@H]2c2ccncc2)c1 ZINC000740074500 600290273 /nfs/dbraw/zinc/29/02/73/600290273.db2.gz KODXNPSZWQGCIZ-OAHLLOKOSA-N -1 0 345.786 3.802 20 0 EHADRM C/C(=C\C(=O)Nc1ccc(CNC(=O)[O-])cc1)c1cccc(F)c1 ZINC000736120768 600292575 /nfs/dbraw/zinc/29/25/75/600292575.db2.gz KOMJSDPEOPLKAJ-FMIVXFBMSA-N -1 0 328.343 3.635 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)c2occc2-c2ccccc2)cc1 ZINC000739992634 600308181 /nfs/dbraw/zinc/30/81/81/600308181.db2.gz SCBSIJJGGHKYCR-UHFFFAOYSA-N -1 0 336.347 3.967 20 0 EHADRM Cn1c2ccccc2nc1[C@H]1CCCCN1Cc1cccc(C(=O)[O-])c1 ZINC000739012394 600314490 /nfs/dbraw/zinc/31/44/90/600314490.db2.gz CASQDYBLPATNQQ-LJQANCHMSA-N -1 0 349.434 3.999 20 0 EHADRM CCOc1ccccc1C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737212243 600320792 /nfs/dbraw/zinc/32/07/92/600320792.db2.gz CZMSNUPGTDPFNQ-HNNXBMFYSA-N -1 0 334.755 3.721 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cc2c(s1)CCC2)c1cccc(Cl)c1 ZINC000740288503 600320823 /nfs/dbraw/zinc/32/08/23/600320823.db2.gz BETVEVKUCNJEQG-AWEZNQCLSA-N -1 0 336.796 3.873 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000740298983 600321922 /nfs/dbraw/zinc/32/19/22/600321922.db2.gz MBMZZPJGCARHPB-ZDUSSCGKSA-N -1 0 325.147 3.976 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000739513167 600322956 /nfs/dbraw/zinc/32/29/56/600322956.db2.gz RHXDJOQYXSKYFE-BZUAXINKSA-N -1 0 348.757 3.952 20 0 EHADRM Cc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)c(Cl)n1 ZINC000738546321 600326755 /nfs/dbraw/zinc/32/67/55/600326755.db2.gz SYKVCRFCNJFJCD-GFCCVEGCSA-N -1 0 340.162 3.680 20 0 EHADRM Nc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)c(Cl)c1 ZINC000739204304 600327864 /nfs/dbraw/zinc/32/78/64/600327864.db2.gz YOAPWRXVVITHHZ-CYBMUJFWSA-N -1 0 340.162 3.558 20 0 EHADRM O=C([O-])[C@@H](OC(=O)CCOCc1ccccc1)c1cccc(Cl)c1 ZINC000739250686 600328178 /nfs/dbraw/zinc/32/81/78/600328178.db2.gz HCBYHGAQXTTZMH-KRWDZBQOSA-N -1 0 348.782 3.616 20 0 EHADRM O=C([O-])[C@@H](OC(=O)[C@@H]1CCc2ccccc21)c1cccc(Cl)c1 ZINC000740290996 600329810 /nfs/dbraw/zinc/32/98/10/600329810.db2.gz KZXVUYOMHUCBBZ-CVEARBPZSA-N -1 0 330.767 3.739 20 0 EHADRM CCSc1cccc(NC(=O)Nc2ccc(OCC(=O)[O-])cc2)c1 ZINC000737228585 600335348 /nfs/dbraw/zinc/33/53/48/600335348.db2.gz AMJRDYFSDSYDPU-UHFFFAOYSA-N -1 0 346.408 3.906 20 0 EHADRM Cc1nc2ccc(NC(=O)Nc3ccc(CNC(=O)[O-])cc3)cc2o1 ZINC000738874954 600336326 /nfs/dbraw/zinc/33/63/26/600336326.db2.gz MQRZBVZKXDAEKO-UHFFFAOYSA-N -1 0 340.339 3.548 20 0 EHADRM CC[C@H]1CCCN(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)CC1 ZINC000736937791 600343579 /nfs/dbraw/zinc/34/35/79/600343579.db2.gz AKNUZCLSXPVXEA-AWEZNQCLSA-N -1 0 333.432 3.840 20 0 EHADRM CN(Cc1ccc(NC(=O)N[C@H]2CCCc3occc32)cc1)C(=O)[O-] ZINC000737484191 600345521 /nfs/dbraw/zinc/34/55/21/600345521.db2.gz VIPPZSROQRGYEW-HNNXBMFYSA-N -1 0 343.383 3.589 20 0 EHADRM C[C@@H](Cc1ccsc1)NC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736630201 600346715 /nfs/dbraw/zinc/34/67/15/600346715.db2.gz UHLJYYXZCMSWHQ-LBPRGKRZSA-N -1 0 347.440 3.611 20 0 EHADRM CCN(CCc1cccs1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737101790 600348066 /nfs/dbraw/zinc/34/80/66/600348066.db2.gz IIPXDAPACIEEIF-UHFFFAOYSA-N -1 0 347.440 3.612 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1cccs1 ZINC000736321410 600351979 /nfs/dbraw/zinc/35/19/79/600351979.db2.gz BOCYWTFCZDGWBX-UHFFFAOYSA-N -1 0 347.440 3.615 20 0 EHADRM C[C@H](CN(C)C(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccccc1 ZINC000736569532 600352123 /nfs/dbraw/zinc/35/21/23/600352123.db2.gz UMBUPLGAYZYMJR-CQSZACIVSA-N -1 0 341.411 3.722 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)OCCNC(=O)[O-])c(F)c2)cc1C ZINC000738488980 600354005 /nfs/dbraw/zinc/35/40/05/600354005.db2.gz XTRJGMIMARRPBV-UHFFFAOYSA-N -1 0 331.343 3.534 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)Nc2ccc(CNC(=O)[O-])cc2)c1C ZINC000738693382 600357004 /nfs/dbraw/zinc/35/70/04/600357004.db2.gz UZJYNHCVWJJGKO-AWEZNQCLSA-N -1 0 341.411 3.954 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)OCCc1ccc2ccccc2c1 ZINC000736428944 600359607 /nfs/dbraw/zinc/35/96/07/600359607.db2.gz XRLGICYGAMHPNO-KRWDZBQOSA-N -1 0 329.396 3.608 20 0 EHADRM CN(C)[C@H](C(=O)Nc1cccc(NC(=O)[O-])c1)c1cccc(Cl)c1 ZINC000737362414 600360173 /nfs/dbraw/zinc/36/01/73/600360173.db2.gz WSIHSPJPJUHNJM-HNNXBMFYSA-N -1 0 347.802 3.671 20 0 EHADRM C/C(=C\C(=O)OCc1ccc(F)cc1C(=O)[O-])c1cccc(F)c1 ZINC000736122473 600369424 /nfs/dbraw/zinc/36/94/24/600369424.db2.gz VOFCCNACAIVNCR-YRNVUSSQSA-N -1 0 332.302 3.810 20 0 EHADRM Cc1cc(NC(=O)CCc2cccc(F)c2F)sc1C(=O)[O-] ZINC000738428314 600370908 /nfs/dbraw/zinc/37/09/08/600370908.db2.gz QUBMFTNXKBSUKC-UHFFFAOYSA-N -1 0 325.336 3.604 20 0 EHADRM Cc1cc(NC(=O)c2ccc(Cl)nc2Cl)sc1C(=O)[O-] ZINC000235889875 600371078 /nfs/dbraw/zinc/37/10/78/600371078.db2.gz WLAOCNREALMVKX-UHFFFAOYSA-N -1 0 331.180 3.709 20 0 EHADRM Cc1cc(NC(=O)Cc2c(C)[nH]c3ccccc32)sc1C(=O)[O-] ZINC000319893016 600372712 /nfs/dbraw/zinc/37/27/12/600372712.db2.gz BDMYAUYDCVDMGT-UHFFFAOYSA-N -1 0 328.393 3.726 20 0 EHADRM C[C@@H](C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1)c1ccsc1 ZINC000736219826 600373365 /nfs/dbraw/zinc/37/33/65/600373365.db2.gz UBRATPDXLGPROR-MRVPVSSYSA-N -1 0 347.421 3.640 20 0 EHADRM CCC[C@](C)(NC(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000236817927 600374974 /nfs/dbraw/zinc/37/49/74/600374974.db2.gz RIQBCSHNHGPGTC-ZBEGNZNMSA-N -1 0 345.361 3.644 20 0 EHADRM C[C@@H](C(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1)c1ccsc1 ZINC000262447072 600375859 /nfs/dbraw/zinc/37/58/59/600375859.db2.gz VRJKCZOLNOSQFG-LLVKDONJSA-N -1 0 337.828 3.618 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)c1cccs1 ZINC000236629212 600376146 /nfs/dbraw/zinc/37/61/46/600376146.db2.gz PQLIJCAROLYKOB-NSHDSACASA-N -1 0 333.409 3.976 20 0 EHADRM O=C([O-])[C@H](NC(=O)CC/C=C/c1ccccc1)c1cc(F)ccc1F ZINC000739234574 600377751 /nfs/dbraw/zinc/37/77/51/600377751.db2.gz HJUVUVBUSQBIBE-SBLNNXNXSA-N -1 0 345.345 3.700 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000621557226 600378700 /nfs/dbraw/zinc/37/87/00/600378700.db2.gz AYRDMUOAAOQGBW-CQSZACIVSA-N -1 0 337.419 3.983 20 0 EHADRM CC[C@@](NC(=O)[C@H](C)Cc1ccccc1F)(C(=O)[O-])c1ccccc1 ZINC000485388667 600378957 /nfs/dbraw/zinc/37/89/57/600378957.db2.gz WVZXKHIBZJTZRA-VLIAUNLRSA-N -1 0 343.398 3.511 20 0 EHADRM C[C@@H](CS[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1)C(=O)[O-] ZINC000736617560 600379694 /nfs/dbraw/zinc/37/96/94/600379694.db2.gz OMZSGVNXSNXOTB-IUCAKERBSA-N -1 0 326.805 3.905 20 0 EHADRM O=C([O-])C[C@H](NC(=O)/C=C/c1ccnc2ccccc12)c1ccccc1 ZINC000178277455 600380977 /nfs/dbraw/zinc/38/09/77/600380977.db2.gz FSWWBOZXZMHVPV-VYENPZKTSA-N -1 0 346.386 3.580 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000740028859 600381039 /nfs/dbraw/zinc/38/10/39/600381039.db2.gz JEFQPZLUVBWQAQ-QAPCUYQASA-N -1 0 338.407 3.918 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000738661508 600381157 /nfs/dbraw/zinc/38/11/57/600381157.db2.gz LVYOZIUCDYOCLM-WMZOPIPTSA-N -1 0 338.407 3.918 20 0 EHADRM Cc1c(NC(=O)C[C@@H]2CCOc3ccccc32)cccc1C(=O)[O-] ZINC000675966121 600382176 /nfs/dbraw/zinc/38/21/76/600382176.db2.gz ISSRJKYOMSCIOY-ZDUSSCGKSA-N -1 0 325.364 3.588 20 0 EHADRM COc1ccc(NC(=O)c2cc3cc(F)ccc3o2)c(C(=O)[O-])c1 ZINC000517257807 600382665 /nfs/dbraw/zinc/38/26/65/600382665.db2.gz GOFNNWAGNVZLLY-UHFFFAOYSA-N -1 0 329.283 3.531 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccccc1OC ZINC000736913382 600384249 /nfs/dbraw/zinc/38/42/49/600384249.db2.gz BBZSZHKHXLESDX-HNNXBMFYSA-N -1 0 346.358 3.805 20 0 EHADRM O=C([O-])CN(Cc1ccc(F)c(F)c1)C(=O)/C=C/C1CCCCC1 ZINC000739797490 600384565 /nfs/dbraw/zinc/38/45/65/600384565.db2.gz ZKYCXDPMJOHSPQ-VQHVLOKHSA-N -1 0 337.366 3.515 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1ccnc2ccccc21)c1ccccc1 ZINC000736851253 600385028 /nfs/dbraw/zinc/38/50/28/600385028.db2.gz NTRSUHBBGVATFW-GOSISDBHSA-N -1 0 334.375 3.745 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)ccc1F ZINC000739470718 600387008 /nfs/dbraw/zinc/38/70/08/600387008.db2.gz FERDUMJYGLMZEE-IUCAKERBSA-N -1 0 348.296 3.767 20 0 EHADRM CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000736905447 600387427 /nfs/dbraw/zinc/38/74/27/600387427.db2.gz HHEFDRADXBHVRU-CYBMUJFWSA-N -1 0 330.359 3.667 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)/C=C/c1cccc(F)c1)c1ccccc1 ZINC000736850377 600389264 /nfs/dbraw/zinc/38/92/64/600389264.db2.gz WGIFZIHSHNKYIQ-FMQWLBJXSA-N -1 0 327.355 3.735 20 0 EHADRM O=C([O-])c1cc(NC(=O)NCCCCc2ccccc2)ccc1F ZINC000739415527 600389349 /nfs/dbraw/zinc/38/93/49/600389349.db2.gz ILKLTOXGLFLNCD-UHFFFAOYSA-N -1 0 330.359 3.668 20 0 EHADRM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)CCCN(C)C(=O)[O-])cc1 ZINC000738584152 600391065 /nfs/dbraw/zinc/39/10/65/600391065.db2.gz UMUWBZXNFFMWHF-CRAIPNDOSA-N -1 0 332.444 3.685 20 0 EHADRM CCCc1ccc(-c2ccc(NC(=O)CCNC(=O)[O-])cc2)cc1 ZINC000737045133 600391037 /nfs/dbraw/zinc/39/10/37/600391037.db2.gz OBUXSVAMBVDOCR-UHFFFAOYSA-N -1 0 326.396 3.902 20 0 EHADRM Cc1cccc([C@H]2CCCCCN2C(=O)CCSCC(=O)[O-])c1 ZINC000738688324 600391243 /nfs/dbraw/zinc/39/12/43/600391243.db2.gz ZRKKVAZWAKOZAI-MRXNPFEDSA-N -1 0 335.469 3.647 20 0 EHADRM C/C(=C\C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1)C1CC1 ZINC000736120775 600391567 /nfs/dbraw/zinc/39/15/67/600391567.db2.gz KTXJGWOHJPXSFF-MLFXKNMZSA-N -1 0 329.440 3.972 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NC[C@@H]2CCCc3ccccc32)c(F)c1 ZINC000739415228 600399728 /nfs/dbraw/zinc/39/97/28/600399728.db2.gz OZALGOJUEKGBDS-AWEZNQCLSA-N -1 0 342.370 3.766 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)c1cc(F)ccc1F ZINC000736648786 600401888 /nfs/dbraw/zinc/40/18/88/600401888.db2.gz KWQUINOHRXFAJD-MRVPVSSYSA-N -1 0 338.285 3.685 20 0 EHADRM C[C@@H]1CCC[C@H](NC(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC000736777024 600405803 /nfs/dbraw/zinc/40/58/03/600405803.db2.gz UQEOTDXTBCDFEL-KOLCDFICSA-N -1 0 342.342 3.686 20 0 EHADRM CCC(CC)CNC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736896151 600409844 /nfs/dbraw/zinc/40/98/44/600409844.db2.gz YRBFAALZICEVBC-UHFFFAOYSA-N -1 0 330.331 3.544 20 0 EHADRM Cc1cccc2c1CCCN2C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000738748275 600412625 /nfs/dbraw/zinc/41/26/25/600412625.db2.gz ROTQZCUAFAEALP-UHFFFAOYSA-N -1 0 348.402 3.627 20 0 EHADRM Cc1cccc(C[C@H](CNC(=O)[C@@H](C)CC2CCCC2)C(=O)[O-])c1 ZINC000237485863 600413644 /nfs/dbraw/zinc/41/36/44/600413644.db2.gz GJGIRTBAKODBCC-MAUKXSAKSA-N -1 0 331.456 3.571 20 0 EHADRM O=C([O-])c1cccc(COC(=O)c2ccc3[nH]c(C(F)F)nc3c2)c1 ZINC000740228300 600422002 /nfs/dbraw/zinc/42/20/02/600422002.db2.gz VTDFHDDAGIFXIB-UHFFFAOYSA-N -1 0 346.289 3.556 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)c1 ZINC000740241980 600427141 /nfs/dbraw/zinc/42/71/41/600427141.db2.gz POXLHBBQRFKRJQ-IAGOWNOFSA-N -1 0 332.359 3.675 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)c1 ZINC000740241982 600427403 /nfs/dbraw/zinc/42/74/03/600427403.db2.gz POXLHBBQRFKRJQ-SJORKVTESA-N -1 0 332.359 3.675 20 0 EHADRM Cc1cc(N[C@H](C(=O)[O-])c2ccc(F)cc2)ccc1C(=O)NC(C)C ZINC000738452379 600435773 /nfs/dbraw/zinc/43/57/73/600435773.db2.gz NDWKAPVCCNNWDP-KRWDZBQOSA-N -1 0 344.386 3.510 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000740288512 600444393 /nfs/dbraw/zinc/44/43/93/600444393.db2.gz BJGXHCBONUQQCT-ZDUSSCGKSA-N -1 0 326.682 3.601 20 0 EHADRM O=C([O-])[C@H](OC(=O)/C=C/c1ccccc1Cl)c1ccc(F)cc1 ZINC000739215740 600444505 /nfs/dbraw/zinc/44/45/05/600444505.db2.gz LCFNBOQZEGMACF-OJXHRBAXSA-N -1 0 334.730 3.861 20 0 EHADRM Cc1ccc2c(CC(=O)O[C@@H](C(=O)[O-])c3ccc(F)cc3)coc2c1 ZINC000738666098 600445591 /nfs/dbraw/zinc/44/55/91/600445591.db2.gz SNBIJFLRKZBBTO-GOSISDBHSA-N -1 0 342.322 3.792 20 0 EHADRM O=C([O-])[C@@H](OC(=O)/C=C\Sc1ccccc1)c1ccc(F)cc1 ZINC000739215752 600446902 /nfs/dbraw/zinc/44/69/02/600446902.db2.gz LFIBNGPXUNRTOU-SNGWPZLWSA-N -1 0 332.352 3.801 20 0 EHADRM O=C(/C=C/C1CCOCC1)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC000738454913 600447989 /nfs/dbraw/zinc/44/79/89/600447989.db2.gz SVCAGFARJUTMFQ-VOTSOKGWSA-N -1 0 349.452 3.637 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)C(C)C ZINC000738757648 600450324 /nfs/dbraw/zinc/45/03/24/600450324.db2.gz DGXQQGDPANDRTG-IBGZPJMESA-N -1 0 341.407 3.586 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1[nH]c2ccccc2c1Cl)c1ccc(F)cc1 ZINC000740290232 600450607 /nfs/dbraw/zinc/45/06/07/600450607.db2.gz PWLYHFCZNPCVQJ-OAHLLOKOSA-N -1 0 347.729 3.943 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)[C@@H]2CSCCS2)s1 ZINC000736293678 600452158 /nfs/dbraw/zinc/45/21/58/600452158.db2.gz FCGFNBALXPKORU-VIFPVBQESA-N -1 0 345.511 3.531 20 0 EHADRM C[C@H]1CCCCCN1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736785655 600456590 /nfs/dbraw/zinc/45/65/90/600456590.db2.gz VASQABADMDXRBN-JTQLQIEISA-N -1 0 342.342 3.783 20 0 EHADRM O=C([O-])[C@@H](OC(=O)C[C@@H]1CCc2ccccc21)c1ccc(F)cc1 ZINC000739220598 600456742 /nfs/dbraw/zinc/45/67/42/600456742.db2.gz APKWZGBCQKQUAF-KSSFIOAISA-N -1 0 328.339 3.615 20 0 EHADRM C[C@@H]1CCC[C@@H](CCNC(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000736774096 600460114 /nfs/dbraw/zinc/46/01/14/600460114.db2.gz GFKTTYTZXHUCFC-ZBFHGGJFSA-N -1 0 347.459 3.835 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)s1 ZINC000324680263 600463075 /nfs/dbraw/zinc/46/30/75/600463075.db2.gz NPSYEWQSUGAPPM-LBPRGKRZSA-N -1 0 346.452 3.527 20 0 EHADRM Cc1cc(C(=O)[O-])c2c(=O)[nH]c(S[C@H](C)c3ccccc3)nc2n1 ZINC000738343675 600473842 /nfs/dbraw/zinc/47/38/42/600473842.db2.gz UFAHWGGNDLTWNW-SNVBAGLBSA-N -1 0 341.392 3.590 20 0 EHADRM C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000736836550 600475455 /nfs/dbraw/zinc/47/54/55/600475455.db2.gz JDWKSOFBYBRHIG-JTQLQIEISA-N -1 0 346.333 3.814 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)Nc2ccc3c(c2)oc2ccccc23)C1 ZINC000263485646 600476436 /nfs/dbraw/zinc/47/64/36/600476436.db2.gz MNTKOUCVLCDHOY-LBPRGKRZSA-N -1 0 338.363 3.915 20 0 EHADRM CN(Cc1ccc(NC(=O)[C@H]2CSc3ccccc32)cc1)C(=O)[O-] ZINC000737477702 600476553 /nfs/dbraw/zinc/47/65/53/600476553.db2.gz KCCGEDGJSIGSCS-HNNXBMFYSA-N -1 0 342.420 3.624 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000736902658 600477333 /nfs/dbraw/zinc/47/73/33/600477333.db2.gz ARHRREHAHDKCGF-IBGZPJMESA-N -1 0 339.435 3.759 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000136717198 600477389 /nfs/dbraw/zinc/47/73/89/600477389.db2.gz XIUDSVMXCKMCIP-SNVBAGLBSA-N -1 0 335.762 3.995 20 0 EHADRM CSc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)o1 ZINC000738144887 600477688 /nfs/dbraw/zinc/47/76/88/600477688.db2.gz WZIYMSKJFGPOTM-UHFFFAOYSA-N -1 0 337.422 3.892 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(N(C)C(=O)[O-])cc1)c1nccs1 ZINC000736913742 600478973 /nfs/dbraw/zinc/47/89/73/600478973.db2.gz GZNCCAYPFNGFPO-GFCCVEGCSA-N -1 0 334.401 3.530 20 0 EHADRM C[C@H]1CCC[C@H](OCC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000237544545 600479219 /nfs/dbraw/zinc/47/92/19/600479219.db2.gz IZKVZEKFDRCLRS-JQWIXIFHSA-N -1 0 325.792 3.572 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)c2ccc3c(c2)CCC3)cc1 ZINC000238026334 600481361 /nfs/dbraw/zinc/48/13/61/600481361.db2.gz KZUXVIYFQZAFPR-UHFFFAOYSA-N -1 0 339.391 3.671 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)c2cccc3c2CCC3)cc1 ZINC000192896658 600482249 /nfs/dbraw/zinc/48/22/49/600482249.db2.gz YPWHTPHMCJYXSW-UHFFFAOYSA-N -1 0 339.391 3.671 20 0 EHADRM CCOc1ccccc1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000263153002 600483306 /nfs/dbraw/zinc/48/33/06/600483306.db2.gz MHGHDEVTXLSKIZ-UHFFFAOYSA-N -1 0 343.379 3.581 20 0 EHADRM C[C@H]1SCCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)[C@@H]1C ZINC000514729065 600489433 /nfs/dbraw/zinc/48/94/33/600489433.db2.gz HQDFEVZKNNEUKF-VXGBXAGGSA-N -1 0 348.493 3.834 20 0 EHADRM Cc1c(NC(=O)C[C@@H](C)C(=O)c2ccccc2)cccc1C(=O)[O-] ZINC000738299935 600491256 /nfs/dbraw/zinc/49/12/56/600491256.db2.gz RCVXEVWZUUIOOP-GFCCVEGCSA-N -1 0 325.364 3.541 20 0 EHADRM Cc1ccccc1CCNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000321441132 600509648 /nfs/dbraw/zinc/50/96/48/600509648.db2.gz WRRQGNJFDLCRMR-UHFFFAOYSA-N -1 0 332.787 3.711 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H]2CCc3cc(F)ccc32)cc1Cl ZINC000739464574 600511306 /nfs/dbraw/zinc/51/13/06/600511306.db2.gz GHPDKCGKUYLQNZ-HNNXBMFYSA-N -1 0 348.761 3.986 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1)c1cccc(O)c1 ZINC000736648792 600512169 /nfs/dbraw/zinc/51/21/69/600512169.db2.gz LANJRJYNHSSPTQ-SECBINFHSA-N -1 0 333.319 3.504 20 0 EHADRM CO[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000737734245 600512349 /nfs/dbraw/zinc/51/23/49/600512349.db2.gz ODVSHYAERRRVEN-HNNXBMFYSA-N -1 0 348.786 3.547 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000736358639 600522383 /nfs/dbraw/zinc/52/23/83/600522383.db2.gz LGTOSGPOJLUVQF-SFHVURJKSA-N -1 0 337.419 3.789 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)[C@@H](C)c1cccc(C)c1 ZINC000737871202 600522906 /nfs/dbraw/zinc/52/29/06/600522906.db2.gz IVHHHGBLRJAFSV-GDAGCXPBSA-N -1 0 340.375 3.811 20 0 EHADRM O=C([O-])CCCOc1ccc(Nc2ncnc3sccc32)cc1 ZINC000739686781 600524019 /nfs/dbraw/zinc/52/40/19/600524019.db2.gz ADFHBJCPTHAYPD-UHFFFAOYSA-N -1 0 329.381 3.679 20 0 EHADRM O=C([O-])c1ccc(CNCc2csc(-c3ccc(F)cc3)n2)o1 ZINC000740132284 600524214 /nfs/dbraw/zinc/52/42/14/600524214.db2.gz JIUZFPMRLGBIKF-UHFFFAOYSA-N -1 0 332.356 3.530 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000739337682 600525024 /nfs/dbraw/zinc/52/50/24/600525024.db2.gz CNIUXRFXSBKBPT-UHFFFAOYSA-N -1 0 334.784 3.762 20 0 EHADRM CSCCCCC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000738190073 600525503 /nfs/dbraw/zinc/52/55/03/600525503.db2.gz GEPKCILJWGSYAH-UHFFFAOYSA-N -1 0 325.430 3.644 20 0 EHADRM C/C(=C\C(=O)N[C@H](C(=O)[O-])C(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC000736122279 600529148 /nfs/dbraw/zinc/52/91/48/600529148.db2.gz YZZUKXDJTQAZHQ-ATWMFIQVSA-N -1 0 343.345 3.724 20 0 EHADRM C[C@H](NC(=O)CN(C)C(=O)[O-])c1ccccc1-c1ccc(Cl)cc1 ZINC000736641437 600529744 /nfs/dbraw/zinc/52/97/44/600529744.db2.gz QCTXHBWVPBVMRL-LBPRGKRZSA-N -1 0 346.814 3.794 20 0 EHADRM CC(C)CCc1ccc(NC(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000736436141 600542670 /nfs/dbraw/zinc/54/26/70/600542670.db2.gz QXKCSVXGMHHKML-UHFFFAOYSA-N -1 0 330.384 3.888 20 0 EHADRM C[C@H](Oc1ccc(F)cc1Cl)C(=O)Oc1ccccc1C(=O)[O-] ZINC000736703663 600550069 /nfs/dbraw/zinc/55/00/69/600550069.db2.gz WKSZHQHECKBSOA-VIFPVBQESA-N -1 0 338.718 3.550 20 0 EHADRM Cc1cc(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)c(C)n1C1CCCCC1 ZINC000675985040 600552827 /nfs/dbraw/zinc/55/28/27/600552827.db2.gz BMMCBGVPVZPVHX-MRXNPFEDSA-N -1 0 334.460 3.839 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)N3CCC(C(=O)[O-])CC3)ccc21 ZINC000263499180 600558062 /nfs/dbraw/zinc/55/80/62/600558062.db2.gz SGMGLPFNSFUXTJ-UHFFFAOYSA-N -1 0 343.427 3.626 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000236747189 600559846 /nfs/dbraw/zinc/55/98/46/600559846.db2.gz UKWARILPYJWMMO-ZWKOTPCHSA-N -1 0 325.408 3.655 20 0 EHADRM O=C([O-])CCC(=O)Nc1cccc(Oc2ccnc3ccccc32)c1 ZINC000179079562 600579308 /nfs/dbraw/zinc/57/93/08/600579308.db2.gz JOSOYQFBTOCFGL-UHFFFAOYSA-N -1 0 336.347 3.830 20 0 EHADRM O=C([O-])c1ccoc1COC(=O)c1cc(Cl)cc2cccnc21 ZINC000740252258 600580187 /nfs/dbraw/zinc/58/01/87/600580187.db2.gz MAEHRYFNEYVDHL-UHFFFAOYSA-N -1 0 331.711 3.536 20 0 EHADRM C[C@H](Sc1ncccc1Br)c1ccc(C(=O)[O-])o1 ZINC000091779525 600581420 /nfs/dbraw/zinc/58/14/20/600581420.db2.gz FDPYBCUOQAFVLG-ZETCQYMHSA-N -1 0 328.187 3.989 20 0 EHADRM C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-])n1cccc1 ZINC000736548391 600585340 /nfs/dbraw/zinc/58/53/40/600585340.db2.gz LRZNGGDOWUNEBM-JTQLQIEISA-N -1 0 340.301 3.795 20 0 EHADRM C[C@H](CC(=O)[O-])SCC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000736553717 600585924 /nfs/dbraw/zinc/58/59/24/600585924.db2.gz SZQUZUXIRHPBQQ-OLZOCXBDSA-N -1 0 331.437 3.613 20 0 EHADRM C[C@@H](NC(=O)CS[C@@H](C)CC(=O)[O-])c1ccc2ccccc2c1 ZINC000736553718 600585961 /nfs/dbraw/zinc/58/59/61/600585961.db2.gz SZQUZUXIRHPBQQ-QWHCGFSZSA-N -1 0 331.437 3.613 20 0 EHADRM CC(C)[C@H](S[C@H](C)CC(=O)[O-])C(=O)N1c2ccccc2C[C@H]1C ZINC000736551913 600586887 /nfs/dbraw/zinc/58/68/87/600586887.db2.gz XUFDLRMZXNYAGL-XNJGSVPQSA-N -1 0 335.469 3.585 20 0 EHADRM CCOC(=O)c1c(C)c2ccccc2nc1CS[C@H](C)CC(=O)[O-] ZINC000737149550 600589699 /nfs/dbraw/zinc/58/96/99/600589699.db2.gz WOMNYJXDRJFZPL-LLVKDONJSA-N -1 0 347.436 3.816 20 0 EHADRM C[C@@H](CC(=O)[O-])SCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000736550462 600594531 /nfs/dbraw/zinc/59/45/31/600594531.db2.gz FCGRUSZXNHISNC-SJCJKPOMSA-N -1 0 349.477 3.550 20 0 EHADRM Cc1ccc(Nc2ccccc2C(=O)N(C)C[C@@H](C)C(=O)[O-])cc1 ZINC000561492980 600594934 /nfs/dbraw/zinc/59/49/34/600594934.db2.gz SQRVPRVDJOHDFE-CQSZACIVSA-N -1 0 326.396 3.531 20 0 EHADRM CC(C)c1ccc(CN(C(=O)CSC[C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC000736613508 600595265 /nfs/dbraw/zinc/59/52/65/600595265.db2.gz ADMYFOGGQVKAEC-CQSZACIVSA-N -1 0 349.496 3.755 20 0 EHADRM CN(C(=O)c1cc2c(cccc2F)s1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737333101 600595612 /nfs/dbraw/zinc/59/56/12/600595612.db2.gz HJMIZHAGPGXAKV-MRXNPFEDSA-N -1 0 343.379 3.938 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 ZINC000262411824 600596539 /nfs/dbraw/zinc/59/65/39/600596539.db2.gz LRRYRHJERWJZTI-UHFFFAOYSA-N -1 0 330.428 3.791 20 0 EHADRM CC(C)C(=O)Nc1cccc(OC(=O)c2ccccc2NC(=O)[O-])c1 ZINC000736348086 600596778 /nfs/dbraw/zinc/59/67/78/600596778.db2.gz SHPAKFHYLJCCAO-UHFFFAOYSA-N -1 0 342.351 3.590 20 0 EHADRM CC(C)[C@H](SC[C@@H](C)C(=O)[O-])C(=O)Nc1cccc2ncccc21 ZINC000736607722 600597468 /nfs/dbraw/zinc/59/74/68/600597468.db2.gz WOCBHVBKQFUMKL-WBMJQRKESA-N -1 0 346.452 3.652 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000736903523 600600792 /nfs/dbraw/zinc/60/07/92/600600792.db2.gz KHXNPGPMTNGYHH-FUHWJXTLSA-N -1 0 325.408 3.540 20 0 EHADRM C[C@@H](CC(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-])C1CC1 ZINC000736540936 600604155 /nfs/dbraw/zinc/60/41/55/600604155.db2.gz DUGFJKLCUGQBND-IFXJQAMLSA-N -1 0 339.435 3.636 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)N(CC(=O)[O-])c3ccccc3)cc2C1 ZINC000320026902 600606789 /nfs/dbraw/zinc/60/67/89/600606789.db2.gz PFIKHEKHJFXCBH-GFCCVEGCSA-N -1 0 329.421 3.604 20 0 EHADRM CC(C)[C@@H](NC(=O)c1cccc(C(=O)[O-])n1)c1ccccc1Cl ZINC000362528458 600619958 /nfs/dbraw/zinc/61/99/58/600619958.db2.gz MVLICXDBDFQLEL-OAHLLOKOSA-N -1 0 332.787 3.560 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1 ZINC000325429902 600620902 /nfs/dbraw/zinc/62/09/02/600620902.db2.gz QUUCDJNVKIYBGB-UTCJRWHESA-N -1 0 346.726 3.598 20 0 EHADRM Cc1ccc2oc(C(=O)Nc3cc(Cl)cc(C(=O)[O-])c3)cc2n1 ZINC000178251826 600621578 /nfs/dbraw/zinc/62/15/78/600621578.db2.gz PXQMUXPDWACRFO-UHFFFAOYSA-N -1 0 330.727 3.740 20 0 EHADRM Cc1[nH]c(C(=O)N2CCC[C@@](C)(c3ccccc3)C2)c(C)c1C(=O)[O-] ZINC000738158416 600635381 /nfs/dbraw/zinc/63/53/81/600635381.db2.gz GNLRQVLRUPSHLN-HXUWFJFHSA-N -1 0 340.423 3.524 20 0 EHADRM Cc1cc(OCC(=O)Nc2ccc(Cl)cc2C)c(C(=O)[O-])s1 ZINC000316102172 600639479 /nfs/dbraw/zinc/63/94/79/600639479.db2.gz BNNQDXVUZLIVEU-UHFFFAOYSA-N -1 0 339.800 3.734 20 0 EHADRM CC(C)[C@H](NC(=O)NCCCCCC(=O)[O-])c1ccccc1Cl ZINC000414620882 600647736 /nfs/dbraw/zinc/64/77/36/600647736.db2.gz FMWSONXVVVKHGC-INIZCTEOSA-N -1 0 340.851 3.981 20 0 EHADRM CCN(C(=O)c1ccc(OC)cc1Cl)c1ccccc1C(=O)[O-] ZINC000737059379 600647810 /nfs/dbraw/zinc/64/78/10/600647810.db2.gz PHUQGDXFNQZCKS-UHFFFAOYSA-N -1 0 333.771 3.714 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)Nc1ccccc1)Cc1ccc2ccccc2c1 ZINC000739409719 600652604 /nfs/dbraw/zinc/65/26/04/600652604.db2.gz VCAVISBUISLRJL-GOSISDBHSA-N -1 0 348.402 3.905 20 0 EHADRM C[C@@]1(C(=O)O[C@H](C(=O)[O-])c2ccccc2F)CCCc2ccccc21 ZINC000828035652 600655368 /nfs/dbraw/zinc/65/53/68/600655368.db2.gz VPSLHGMOPSEOIQ-FXAWDEMLSA-N -1 0 342.366 3.789 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)OCc2ccc(C(=O)[O-])o2)cc1 ZINC000736512279 600660764 /nfs/dbraw/zinc/66/07/64/600660764.db2.gz GYPMTALBIUCZRO-HOTGVXAUSA-N -1 0 328.364 3.948 20 0 EHADRM CCCn1ccc2cc(NC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)ccc21 ZINC000179983336 600663050 /nfs/dbraw/zinc/66/30/50/600663050.db2.gz ANRUIMVYQIRDOZ-GJZGRUSLSA-N -1 0 328.412 3.881 20 0 EHADRM CN(CCc1cccc2ccccc21)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000179986425 600664103 /nfs/dbraw/zinc/66/41/03/600664103.db2.gz SJFUKLFIVGHPAZ-QZTJIDSGSA-N -1 0 339.435 3.732 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2Cc2ccccc2)C1 ZINC000498641549 600666723 /nfs/dbraw/zinc/66/67/23/600666723.db2.gz DBZNABWWBSOHKL-INDMIFKZSA-N -1 0 343.467 3.795 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)c1cc(Cl)cc(Cl)c1 ZINC000739892789 600676227 /nfs/dbraw/zinc/67/62/27/600676227.db2.gz UNRVIVGTSUJHFE-UHFFFAOYSA-N -1 0 325.147 3.840 20 0 EHADRM O=C([O-])[C@H](OC(=O)CC/C=C\c1ccccc1)c1ccccc1F ZINC000833097474 600680045 /nfs/dbraw/zinc/68/00/45/600680045.db2.gz NTGRPTGEYZKHSS-BQTUVJDFSA-N -1 0 328.339 3.988 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC[C@@H](O)c1cccc(Cl)c1 ZINC000831977687 600682941 /nfs/dbraw/zinc/68/29/41/600682941.db2.gz UJMJBDVNRAZRRB-PMGBHYCQSA-N -1 0 348.782 3.559 20 0 EHADRM Cc1ccc(-c2nc(CN[C@H](C(=O)[O-])c3ccc(F)cc3)co2)cc1 ZINC000832907999 600695486 /nfs/dbraw/zinc/69/54/86/600695486.db2.gz DRIFVMCAYCLFEV-KRWDZBQOSA-N -1 0 340.354 3.705 20 0 EHADRM C[C@H](OC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)c1ccc(C(=O)[O-])o1 ZINC000827818279 600695873 /nfs/dbraw/zinc/69/58/73/600695873.db2.gz RMOBMVASSBQNDN-JMJZKYOTSA-N -1 0 336.290 3.664 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000262388651 600696238 /nfs/dbraw/zinc/69/62/38/600696238.db2.gz FHTNWQSXHLDISV-RCCFBDPRSA-N -1 0 341.451 3.627 20 0 EHADRM COc1ccc(O[C@@H](C)c2nc(-c3cccc(C(=O)[O-])c3)no2)cc1 ZINC000832430727 600699088 /nfs/dbraw/zinc/69/90/88/600699088.db2.gz HLTBOMTWSOLNCZ-NSHDSACASA-N -1 0 340.335 3.583 20 0 EHADRM O=C([O-])CCCNC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000263457979 600699549 /nfs/dbraw/zinc/69/95/49/600699549.db2.gz HXQLNVOWGJUQDR-UHFFFAOYSA-N -1 0 336.407 3.535 20 0 EHADRM O=C([O-])CCCNC(=O)N(Cc1ccccc1Cl)C1CCCC1 ZINC000263503573 600699822 /nfs/dbraw/zinc/69/98/22/600699822.db2.gz WHTWTJGDZJXUFA-UHFFFAOYSA-N -1 0 338.835 3.659 20 0 EHADRM C[C@H](C(=O)O[C@H](C(=O)[O-])c1ccccc1F)c1cccc(Cl)c1 ZINC000826064426 600701010 /nfs/dbraw/zinc/70/10/10/600701010.db2.gz JXYLHAACGSTPOR-BONVTDFDSA-N -1 0 336.746 3.952 20 0 EHADRM COc1ccc2sc(C(=O)OCc3ccoc3C(=O)[O-])c(C)c2c1 ZINC000832510384 600704201 /nfs/dbraw/zinc/70/42/01/600704201.db2.gz JQYZOOQFRALGFH-UHFFFAOYSA-N -1 0 346.360 3.867 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@@H]1SCCc2ccccc21)c1ccccc1F ZINC000833168402 600714393 /nfs/dbraw/zinc/71/43/93/600714393.db2.gz AJBQZSNKYFUZIN-HZPDHXFCSA-N -1 0 346.379 3.525 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000827427110 600721496 /nfs/dbraw/zinc/72/14/96/600721496.db2.gz AXJRMWKGCZMQCT-SJCJKPOMSA-N -1 0 348.345 3.903 20 0 EHADRM C[C@@H]1C[C@@H](C)N(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)C1 ZINC000736755189 600746546 /nfs/dbraw/zinc/74/65/46/600746546.db2.gz KZDCWLGLUGCJIK-CHWSQXEVSA-N -1 0 336.457 3.657 20 0 EHADRM O=C([O-])[C@@H](Nc1ccc(F)c(Br)c1)c1ccccc1F ZINC000833171419 600761682 /nfs/dbraw/zinc/76/16/82/600761682.db2.gz XTBIBBRBIKYBGW-ZDUSSCGKSA-N -1 0 342.139 3.965 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000833287227 600774140 /nfs/dbraw/zinc/77/41/40/600774140.db2.gz GJGWWBHRUFNZJG-IAGOWNOFSA-N -1 0 345.443 3.587 20 0 EHADRM CC[C@H](CC(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F)C(C)C ZINC000236921770 600792152 /nfs/dbraw/zinc/79/21/52/600792152.db2.gz VXNDCQBWKROERZ-CYBMUJFWSA-N -1 0 341.398 3.840 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cc2c(s1)CCC2)c1cccc(Cl)c1 ZINC000776675873 600803125 /nfs/dbraw/zinc/80/31/25/600803125.db2.gz XPKRMUBHKACIGT-CYBMUJFWSA-N -1 0 349.839 3.836 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc(F)ccc1F)c1cccc(Cl)c1 ZINC000776671895 600807602 /nfs/dbraw/zinc/80/76/02/600807602.db2.gz DQLXWJNHBXTYBP-AWEZNQCLSA-N -1 0 339.725 3.564 20 0 EHADRM Cc1ccc2cccc(C(=O)O[C@H](C)c3ccc(C(=O)[O-])o3)c2n1 ZINC000738675342 600808406 /nfs/dbraw/zinc/80/84/06/600808406.db2.gz KRJPQAPXMTWDOH-LLVKDONJSA-N -1 0 325.320 3.752 20 0 EHADRM Cc1cccc([C@H](C)CNC(=O)Nc2cc(C(=O)[O-])ccc2F)c1 ZINC000738689625 600808944 /nfs/dbraw/zinc/80/89/44/600808944.db2.gz DNRRXJFDGHUTII-GFCCVEGCSA-N -1 0 330.359 3.758 20 0 EHADRM CC(C)C[C@@H](NC(=S)NCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000736424940 600819916 /nfs/dbraw/zinc/81/99/16/600819916.db2.gz IYGZVZXAHSYRFD-CQSZACIVSA-N -1 0 342.892 3.756 20 0 EHADRM Cc1ccccc1NC(=S)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000738778169 600820387 /nfs/dbraw/zinc/82/03/87/600820387.db2.gz MZOKQAYEJXHHMJ-CYBMUJFWSA-N -1 0 326.421 3.770 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=S)NCCc2cccs2)cc1 ZINC000736233244 600820957 /nfs/dbraw/zinc/82/09/57/600820957.db2.gz STNJVJYXTSTACQ-UHFFFAOYSA-N -1 0 348.493 3.639 20 0 EHADRM C[C@H](Nc1nc(Cl)c(C(=O)[O-])s1)c1cccc(-n2ccnc2)c1 ZINC000827773675 600825257 /nfs/dbraw/zinc/82/52/57/600825257.db2.gz UQURJRNYJGRIKE-VIFPVBQESA-N -1 0 348.815 3.854 20 0 EHADRM O=C([O-])c1ccc(OC(=O)c2c(F)cc(F)cc2F)c(Cl)c1 ZINC000740160861 600825897 /nfs/dbraw/zinc/82/58/97/600825897.db2.gz LXNMLQQZWIOGNK-UHFFFAOYSA-N -1 0 330.645 3.675 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000739739192 600836955 /nfs/dbraw/zinc/83/69/55/600836955.db2.gz FYRYKSYZOHQWOW-IAGOWNOFSA-N -1 0 331.412 3.695 20 0 EHADRM CCn1c(C)nnc1S[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000830411116 600838711 /nfs/dbraw/zinc/83/87/11/600838711.db2.gz BOHVCYXWILKTCU-LLVKDONJSA-N -1 0 346.239 3.831 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)cc1 ZINC000238044533 600839509 /nfs/dbraw/zinc/83/95/09/600839509.db2.gz DGDZFNWUEYYXCJ-HUUCEWRRSA-N -1 0 345.345 3.724 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000245753234 600839908 /nfs/dbraw/zinc/83/99/08/600839908.db2.gz UKUIVSHSBKCLDW-VHDGCEQUSA-N -1 0 337.847 3.620 20 0 EHADRM COc1ccccc1[C@@H](C)SCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000832595558 600842295 /nfs/dbraw/zinc/84/22/95/600842295.db2.gz MHKDJGIWFXOTDI-GFCCVEGCSA-N -1 0 345.420 3.826 20 0 EHADRM CCc1ccc(CC(=O)N(c2ccccc2)[C@@H](CC)C(=O)[O-])cc1 ZINC000737260474 600842566 /nfs/dbraw/zinc/84/25/66/600842566.db2.gz OCTPSBCMVRYQDB-SFHVURJKSA-N -1 0 325.408 3.688 20 0 EHADRM CN(Cc1ccc(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)cc1)C(=O)[O-] ZINC000737478635 600843987 /nfs/dbraw/zinc/84/39/87/600843987.db2.gz OAGVRBMIOOOGKM-SJORKVTESA-N -1 0 330.428 3.951 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(OCc3ccccc3)ccn2)cc1 ZINC000833319029 600846511 /nfs/dbraw/zinc/84/65/11/600846511.db2.gz CALCQSOVNXCRGK-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM O=C([O-])c1cccc(CSc2nnc(CCc3ccccc3)o2)c1 ZINC000833329159 600846581 /nfs/dbraw/zinc/84/65/81/600846581.db2.gz FALPCOJKPAUTCV-UHFFFAOYSA-N -1 0 340.404 3.845 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)c2cccc(C(F)F)c2)c2ccccc21 ZINC000739646282 600847426 /nfs/dbraw/zinc/84/74/26/600847426.db2.gz JAFOPYZTZWRAFN-ZDUSSCGKSA-N -1 0 331.318 3.843 20 0 EHADRM Cc1ccccc1SCC(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000325256992 600854075 /nfs/dbraw/zinc/85/40/75/600854075.db2.gz INGKIGMYUCCMAD-CQSZACIVSA-N -1 0 341.432 3.692 20 0 EHADRM Cc1ccccc1SCC(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000325256990 600854113 /nfs/dbraw/zinc/85/41/13/600854113.db2.gz INGKIGMYUCCMAD-AWEZNQCLSA-N -1 0 341.432 3.692 20 0 EHADRM Cc1ccc2oc(C(=O)N3C[C@H](CC(=O)[O-])c4ccccc43)cc2c1 ZINC000327157519 600858996 /nfs/dbraw/zinc/85/89/96/600858996.db2.gz PFJDWPBUXIBHLL-AWEZNQCLSA-N -1 0 335.359 3.960 20 0 EHADRM C[C@@H](CC(=O)N1C[C@H](CC(=O)[O-])c2ccccc21)c1ccc(F)cc1 ZINC000736545555 600859309 /nfs/dbraw/zinc/85/93/09/600859309.db2.gz RYBHPXAMYVSTFR-ZFWWWQNUSA-N -1 0 341.382 3.924 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)CCCc2cccs2)c2ccccc21 ZINC000321271690 600862921 /nfs/dbraw/zinc/86/29/21/600862921.db2.gz BUPSCZFINZOXJR-CYBMUJFWSA-N -1 0 329.421 3.676 20 0 EHADRM CC(C)C[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccc(Cl)cc1 ZINC000607519313 600864709 /nfs/dbraw/zinc/86/47/09/600864709.db2.gz ZIBRIHZRUUWWNY-INIZCTEOSA-N -1 0 346.814 3.950 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OCc1nc(Cc2ccccc2)no1 ZINC000833299548 600864679 /nfs/dbraw/zinc/86/46/79/600864679.db2.gz STQICYSYLMEAAR-UHFFFAOYSA-N -1 0 344.754 3.591 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccc(Cc3ccncc3)cc2)C1 ZINC000833185282 600871748 /nfs/dbraw/zinc/87/17/48/600871748.db2.gz GISQKHWQPJHMCR-IAGOWNOFSA-N -1 0 338.407 3.502 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)c2)cs1 ZINC000191557978 600872172 /nfs/dbraw/zinc/87/21/72/600872172.db2.gz OSZZYYSBQHCQEY-KGLIPLIRSA-N -1 0 344.436 3.948 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@H]2CSc3ccccc32)cc1 ZINC000261775718 600877680 /nfs/dbraw/zinc/87/76/80/600877680.db2.gz XJGHYCHAAMODCH-HNNXBMFYSA-N -1 0 341.432 3.877 20 0 EHADRM CCSc1ccc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cn1 ZINC000737229525 600880730 /nfs/dbraw/zinc/88/07/30/600880730.db2.gz NSRNYROLDSUMKC-UHFFFAOYSA-N -1 0 344.436 3.808 20 0 EHADRM Cc1cccc(O[C@H](C)C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000262268521 600881575 /nfs/dbraw/zinc/88/15/75/600881575.db2.gz SCZZIVUECXPNTM-CQSZACIVSA-N -1 0 341.407 3.763 20 0 EHADRM CC(C)c1nc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cs1 ZINC000262490197 600882528 /nfs/dbraw/zinc/88/25/28/600882528.db2.gz LXLANFMMCCDJHA-UHFFFAOYSA-N -1 0 332.425 3.881 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)NC(C)(C)CCC(=O)[O-])o2)cc1 ZINC000236987923 600883424 /nfs/dbraw/zinc/88/34/24/600883424.db2.gz CIAQMWVKSKEWSV-UHFFFAOYSA-N -1 0 329.396 3.882 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NCc2cccc(Cl)c2Cl)C1 ZINC000565043893 600885561 /nfs/dbraw/zinc/88/55/61/600885561.db2.gz NSHIRRGDIZLLQU-VHSXEESVSA-N -1 0 330.211 3.501 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NCc2c(Cl)cccc2Cl)C1 ZINC000833183648 600885993 /nfs/dbraw/zinc/88/59/93/600885993.db2.gz HAWMTKHORUBBES-ZJUUUORDSA-N -1 0 330.211 3.501 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1Cl ZINC000179968573 600886208 /nfs/dbraw/zinc/88/62/08/600886208.db2.gz GNBCGBXBYJVXJD-RYUDHWBXSA-N -1 0 339.819 3.957 20 0 EHADRM Cc1cc2cc(C(=O)NC[C@H](C(=O)[O-])c3ccccc3)oc2cc1C ZINC000486281425 600896124 /nfs/dbraw/zinc/89/61/24/600896124.db2.gz IWVAZSLKUWGKCC-INIZCTEOSA-N -1 0 337.375 3.648 20 0 EHADRM O=C([O-])c1ccc(CNCc2cc(Cl)ccc2Br)o1 ZINC000720118308 600896190 /nfs/dbraw/zinc/89/61/90/600896190.db2.gz WKIZXQNUWHSZSQ-UHFFFAOYSA-N -1 0 344.592 3.684 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H]2c2ccccc2Cl)C1 ZINC000245773593 600899320 /nfs/dbraw/zinc/89/93/20/600899320.db2.gz XRAXPBBDGFSUNR-IOASZLSFSA-N -1 0 335.831 3.895 20 0 EHADRM Cc1[nH]c(C(=O)N2C[C@@H](C)C[C@H]2c2ccccc2F)c(C)c1C(=O)[O-] ZINC000832842879 600903861 /nfs/dbraw/zinc/90/38/61/600903861.db2.gz FQKMKGCRQRPGCW-BONVTDFDSA-N -1 0 344.386 3.692 20 0 EHADRM COc1ccc(N(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)[C@H](C)C2CC2)cc1 ZINC000179991579 600917895 /nfs/dbraw/zinc/91/78/95/600917895.db2.gz MRAFVUVASRHQLQ-BMFZPTHFSA-N -1 0 345.439 3.718 20 0 EHADRM CCC(CC)(NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000342531011 600922848 /nfs/dbraw/zinc/92/28/48/600922848.db2.gz SEFRAWZDWRDQBX-DLBZAZTESA-N -1 0 325.408 3.703 20 0 EHADRM CC(C)C[C@@H](CNC(=O)CCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000486284448 600923842 /nfs/dbraw/zinc/92/38/42/600923842.db2.gz OOTWTHXEVPFWEZ-LBPRGKRZSA-N -1 0 346.254 3.789 20 0 EHADRM CC(C)C[C@@H](CNC(=O)CCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000317211795 600924342 /nfs/dbraw/zinc/92/43/42/600924342.db2.gz LDEGQYNDZOADSU-LBPRGKRZSA-N -1 0 346.254 3.789 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@H](OC1CCCC1)c1ccccc1)C(=O)[O-] ZINC000486287334 600925815 /nfs/dbraw/zinc/92/58/15/600925815.db2.gz WYXIQLZXZAUIHD-SJLPKXTDSA-N -1 0 347.455 3.550 20 0 EHADRM COc1ccccc1[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000832601153 600935391 /nfs/dbraw/zinc/93/53/91/600935391.db2.gz FXUPFEQBMJTWKJ-INMHGKMJSA-N -1 0 345.439 3.640 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)[C@H](C)CCc2cccc(F)c2)c1 ZINC000832183248 600939078 /nfs/dbraw/zinc/93/90/78/600939078.db2.gz UWDITKJGBVTCIH-GFCCVEGCSA-N -1 0 346.354 3.707 20 0 EHADRM Cc1oc(COC(=O)[C@@H](C)CCc2ccccc2F)cc1C(=O)[O-] ZINC000833027377 600942282 /nfs/dbraw/zinc/94/22/82/600942282.db2.gz SQYPCGHHIDTHLQ-NSHDSACASA-N -1 0 334.343 3.737 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)OCc1cccc(C(=O)[O-])c1 ZINC000827427994 600944693 /nfs/dbraw/zinc/94/46/93/600944693.db2.gz PTLNHLVZYNFYKW-CYBMUJFWSA-N -1 0 330.355 3.836 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1 ZINC000828874343 600949015 /nfs/dbraw/zinc/94/90/15/600949015.db2.gz FDCCVIHISTUYMZ-CYBMUJFWSA-N -1 0 347.411 3.716 20 0 EHADRM CC(C)C[C@@H](OC(=O)COc1ccccc1-c1ccccc1)C(=O)[O-] ZINC000826811974 600955337 /nfs/dbraw/zinc/95/53/37/600955337.db2.gz GKQWNASSLIEVEI-GOSISDBHSA-N -1 0 342.391 3.775 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccc(C(=O)[O-])s2)o1 ZINC000237531140 600962228 /nfs/dbraw/zinc/96/22/28/600962228.db2.gz UDEJXOZTJITCPW-PWSUYJOCSA-N -1 0 333.409 3.961 20 0 EHADRM Cc1sc(NC(=O)Cc2cc(F)ccc2F)c(C(=O)[O-])c1C ZINC000833035809 600964614 /nfs/dbraw/zinc/96/46/14/600964614.db2.gz CTWSLHXLYHMNSP-UHFFFAOYSA-N -1 0 325.336 3.523 20 0 EHADRM CCc1ccc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)o1 ZINC000263526164 600968497 /nfs/dbraw/zinc/96/84/97/600968497.db2.gz JXICLTOBKOCEKM-YCPHGPKFSA-N -1 0 333.428 3.787 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000829009297 600968795 /nfs/dbraw/zinc/96/87/95/600968795.db2.gz AXBYVLOIRYOGSY-DDBAPUKQSA-N -1 0 347.455 3.693 20 0 EHADRM O=C([O-])c1cccc(-c2nc(CSC[C@H]3CCCO3)cs2)c1 ZINC000833325920 600969607 /nfs/dbraw/zinc/96/96/07/600969607.db2.gz BEZTVJMDCRUEKY-CQSZACIVSA-N -1 0 335.450 3.921 20 0 EHADRM C[C@@H](C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2)C(F)(F)F ZINC000826026534 600969654 /nfs/dbraw/zinc/96/96/54/600969654.db2.gz OJMPCWJQPVPCIT-ZETCQYMHSA-N -1 0 335.347 3.852 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)[C@H]1CCCS1)CCCCC2 ZINC000833295105 600969997 /nfs/dbraw/zinc/96/99/97/600969997.db2.gz ZZBOJFGEDHBKLQ-LLVKDONJSA-N -1 0 325.455 3.549 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)COc1cc(Cl)cc(Cl)c1 ZINC000833113976 600970729 /nfs/dbraw/zinc/97/07/29/600970729.db2.gz BBGHCVGKZCFLTB-UHFFFAOYSA-N -1 0 346.191 3.771 20 0 EHADRM O=Cc1ccccc1OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000740318831 600983539 /nfs/dbraw/zinc/98/35/39/600983539.db2.gz VGMFSQQTKGQUHR-UHFFFAOYSA-N -1 0 339.372 3.900 20 0 EHADRM CCn1c(COc2cc(C(=O)[O-])ccc2C)nc2cc(F)ccc21 ZINC000737296329 600984361 /nfs/dbraw/zinc/98/43/61/600984361.db2.gz XFOFORZHRMUZDY-UHFFFAOYSA-N -1 0 328.343 3.781 20 0 EHADRM CN(C)c1cccc(CSc2nc3ccc(C(=O)[O-])cc3o2)c1 ZINC000737387364 600986717 /nfs/dbraw/zinc/98/67/17/600986717.db2.gz XNAQEVYWZHIPCG-UHFFFAOYSA-N -1 0 328.393 3.884 20 0 EHADRM Cc1sc(NC(=O)c2cnc3ccsc3c2)c(C(=O)[O-])c1C ZINC000738397540 600994290 /nfs/dbraw/zinc/99/42/90/600994290.db2.gz GFOBUFAAQMWGSE-UHFFFAOYSA-N -1 0 332.406 3.925 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(-c2ccccc2)n1C ZINC000738536181 600994570 /nfs/dbraw/zinc/99/45/70/600994570.db2.gz YQKVNICKYDDHBF-UHFFFAOYSA-N -1 0 334.375 3.951 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)Nc1cccc(F)c1)c1cccc(Cl)c1 ZINC000833199047 600995025 /nfs/dbraw/zinc/99/50/25/600995025.db2.gz OLBOMCXUTDIXEF-CQSZACIVSA-N -1 0 336.750 3.817 20 0 EHADRM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000390221146 601001459 /nfs/dbraw/zinc/00/14/59/601001459.db2.gz DNKNFFOHUPDBSK-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM COc1ccc2sc(C(=O)N(CCC(=O)[O-])CC(C)C)c(C)c2c1 ZINC000237343706 601003746 /nfs/dbraw/zinc/00/37/46/601003746.db2.gz ARGIBSKUENUFOF-UHFFFAOYSA-N -1 0 349.452 3.791 20 0 EHADRM C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000345778321 601005092 /nfs/dbraw/zinc/00/50/92/601005092.db2.gz MHRLPIFDYHGHKT-ZBEGNZNMSA-N -1 0 349.789 3.915 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1)Sc1ccccc1 ZINC000827485917 601006393 /nfs/dbraw/zinc/00/63/93/601006393.db2.gz CNVLSAQKEKIMSV-GFCCVEGCSA-N -1 0 330.409 3.687 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CCC3(C2)CCCCC3)c(F)cc1F ZINC000326385893 601011942 /nfs/dbraw/zinc/01/19/42/601011942.db2.gz IMLPMMNLOHJIPL-UHFFFAOYSA-N -1 0 338.354 3.851 20 0 EHADRM Cc1cccc(O[C@@H](C)CNC(=O)Nc2cccc(C(=O)[O-])c2C)c1 ZINC000832972967 601015976 /nfs/dbraw/zinc/01/59/76/601015976.db2.gz NAQOQGWPZRGBQW-ZDUSSCGKSA-N -1 0 342.395 3.591 20 0 EHADRM C[C@H](C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)c1cccc(F)c1 ZINC000736216936 601017972 /nfs/dbraw/zinc/01/79/72/601017972.db2.gz SQWUQRDXCYMECU-LBPRGKRZSA-N -1 0 330.359 3.678 20 0 EHADRM Cc1ccncc1C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000738797478 601020791 /nfs/dbraw/zinc/02/07/91/601020791.db2.gz ABAVVUMFRLHESH-QGZVFWFLSA-N -1 0 340.423 3.633 20 0 EHADRM C[C@H](CNC(=O)Nc1cccc(NC(=O)[O-])c1)Cc1cccs1 ZINC000827493197 601022130 /nfs/dbraw/zinc/02/21/30/601022130.db2.gz NXMJVROKXMSJMS-NSHDSACASA-N -1 0 333.413 3.838 20 0 EHADRM Cc1ccc(SCC(=O)Oc2ccccc2CC(=O)[O-])c(C)c1 ZINC000738667832 601022990 /nfs/dbraw/zinc/02/29/90/601022990.db2.gz IUOYSQAOQZKSHM-UHFFFAOYSA-N -1 0 330.405 3.628 20 0 EHADRM CCO[C@@H]1C[C@@H](NC(=O)Nc2cccc(NC(=O)[O-])c2)C12CCCC2 ZINC000829926354 601023373 /nfs/dbraw/zinc/02/33/73/601023373.db2.gz WRGXSGVKWJZBLV-HUUCEWRRSA-N -1 0 347.415 3.636 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)CCCc1c[nH]c2ccccc12 ZINC000739893349 601023388 /nfs/dbraw/zinc/02/33/88/601023388.db2.gz ZLSFQTHUHPPTOW-UHFFFAOYSA-N -1 0 337.375 3.723 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc(N(C)C(=O)[O-])cc1)SC ZINC000828815429 601028830 /nfs/dbraw/zinc/02/88/30/601028830.db2.gz UHLUIXOWNJRNPP-UHFFFAOYSA-N -1 0 339.461 3.844 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CCC[C@@H]2CCC[C@H]21)C(=O)[O-] ZINC000736711566 601031791 /nfs/dbraw/zinc/03/17/91/601031791.db2.gz COSIEHNEGGDNPJ-KCQAQPDRSA-N -1 0 333.453 3.657 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1C2CCCC1CCC2)C(=O)[O-] ZINC000736714637 601033368 /nfs/dbraw/zinc/03/33/68/601033368.db2.gz YIPJONMYSYSBCK-HSBZDZAISA-N -1 0 333.453 3.799 20 0 EHADRM CC1CCC(N(C[C@@H]2CCCO2)C(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000236786100 601033690 /nfs/dbraw/zinc/03/36/90/601033690.db2.gz QOURDPIXKVASNZ-UYJHFMRCSA-N -1 0 345.439 3.585 20 0 EHADRM CCC[C@@H]1[C@H](C)CCCN1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000829245878 601035189 /nfs/dbraw/zinc/03/51/89/601035189.db2.gz PTDVWPXYJDAXSZ-RHSMWYFYSA-N -1 0 348.443 3.973 20 0 EHADRM O=C([O-])c1cnc(N(C(=O)c2ccc3c(c2)CCCC3)C2CC2)s1 ZINC000740260334 601037175 /nfs/dbraw/zinc/03/71/75/601037175.db2.gz QHAOTJWWYQJODU-UHFFFAOYSA-N -1 0 342.420 3.529 20 0 EHADRM CCSCC[C@H](C)N(C)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000830164192 601037454 /nfs/dbraw/zinc/03/74/54/601037454.db2.gz RDQNKLCFXRNOMB-JTQLQIEISA-N -1 0 343.424 3.911 20 0 EHADRM C/C(=C/C(=O)N(c1ncc(C(=O)[O-])s1)C1CC1)c1ccc(F)cc1 ZINC000736117565 601037873 /nfs/dbraw/zinc/03/78/73/601037873.db2.gz LLGZRXAXZVGEFP-NTMALXAHSA-N -1 0 346.383 3.579 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)cc1 ZINC000737257410 601038230 /nfs/dbraw/zinc/03/82/30/601038230.db2.gz OKSPMZSUVLUXFV-LLVKDONJSA-N -1 0 344.436 3.703 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccccc1OC(C)(C)C)C(=O)[O-] ZINC000826775097 601049915 /nfs/dbraw/zinc/04/99/15/601049915.db2.gz CRWWXLQWNUAUNT-CYBMUJFWSA-N -1 0 336.432 3.732 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)C1CCCCC1 ZINC000827672123 601051135 /nfs/dbraw/zinc/05/11/35/601051135.db2.gz QWTIKRLVOCRSIF-ZDUSSCGKSA-N -1 0 333.432 3.887 20 0 EHADRM C/C(=C\C(=O)NCCCCCC(=O)[O-])c1ccccc1C(F)(F)F ZINC000736120939 601051803 /nfs/dbraw/zinc/05/18/03/601051803.db2.gz MKEIPPGDDPRPMM-VAWYXSNFSA-N -1 0 343.345 3.870 20 0 EHADRM C[C@H](C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)c1cccc(Cl)c1 ZINC000736218569 601054243 /nfs/dbraw/zinc/05/42/43/601054243.db2.gz PUOIXOVNYWPRBJ-VIFPVBQESA-N -1 0 343.770 3.657 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccncc1 ZINC000828952469 601054543 /nfs/dbraw/zinc/05/45/43/601054543.db2.gz XVQZYVHSHFMXOW-CQSZACIVSA-N -1 0 333.775 3.706 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)CCOc1ccccc1 ZINC000120269681 601057963 /nfs/dbraw/zinc/05/79/63/601057963.db2.gz PVPXGASBDZCVDH-CQSZACIVSA-N -1 0 327.380 3.737 20 0 EHADRM Cc1ccc(CCC(=O)Nc2cccc(CSCCC(=O)[O-])c2)o1 ZINC000237689278 601058495 /nfs/dbraw/zinc/05/84/95/601058495.db2.gz HADNUBLGRQLPFS-UHFFFAOYSA-N -1 0 347.436 3.867 20 0 EHADRM CC(C)(CC(=O)[O-])NC(=O)c1ccc(Oc2ccccc2Cl)nc1 ZINC000826534201 601059117 /nfs/dbraw/zinc/05/91/17/601059117.db2.gz VCWCAUPOWXLFCI-UHFFFAOYSA-N -1 0 348.786 3.510 20 0 EHADRM Cc1ccc(NC(=O)Cc2csc(C(C)(C)C)n2)cc1C(=O)[O-] ZINC000237625213 601064664 /nfs/dbraw/zinc/06/46/64/601064664.db2.gz GJBPSXASMKROPL-UHFFFAOYSA-N -1 0 332.425 3.628 20 0 EHADRM CC[C@@H](NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1ccncc1 ZINC000828952280 601068744 /nfs/dbraw/zinc/06/87/44/601068744.db2.gz WGPRQMOSJJMXGZ-CQSZACIVSA-N -1 0 333.775 3.706 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccc2ccccc2c1O)c1ccccc1F ZINC000833351882 601073319 /nfs/dbraw/zinc/07/33/19/601073319.db2.gz PMZDTSPNUMCFOU-QGZVFWFLSA-N -1 0 340.306 3.667 20 0 EHADRM CC[C@H](C)[C@H](C(=O)NC[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000261696424 601074721 /nfs/dbraw/zinc/07/47/21/601074721.db2.gz OFXJMMKUQFFGSE-IPELMVKDSA-N -1 0 339.435 3.801 20 0 EHADRM CC(C)CCO[C@@H](C)C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC000826855144 601077355 /nfs/dbraw/zinc/07/73/55/601077355.db2.gz FPHXRVXJKQGRPG-JTQLQIEISA-N -1 0 342.461 3.529 20 0 EHADRM Cc1ccc(CCCCC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000262551549 601077651 /nfs/dbraw/zinc/07/76/51/601077651.db2.gz XDDYKNIBDOTTKB-LJQANCHMSA-N -1 0 339.435 3.692 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)CCc1ccccc1 ZINC000833176634 601078745 /nfs/dbraw/zinc/07/87/45/601078745.db2.gz FBZRCVJRMYBBQT-QZTJIDSGSA-N -1 0 329.440 3.501 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000827592472 601080228 /nfs/dbraw/zinc/08/02/28/601080228.db2.gz MMQMPSHCSOGWOH-MNEFBYGVSA-N -1 0 343.467 3.747 20 0 EHADRM Cc1ccc(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)cc1F ZINC000832913590 601080282 /nfs/dbraw/zinc/08/02/82/601080282.db2.gz KEDKIRNRTPUSLM-UHFFFAOYSA-N -1 0 336.388 3.839 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)c1cccc(Cl)c1 ZINC000833179548 601080943 /nfs/dbraw/zinc/08/09/43/601080943.db2.gz ONGLGHRUSBQUJO-HOCLYGCPSA-N -1 0 335.831 3.836 20 0 EHADRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)CCc1cccs1 ZINC000621580884 601085218 /nfs/dbraw/zinc/08/52/18/601085218.db2.gz BVUROWCBEJABDA-GOEBONIOSA-N -1 0 335.469 3.563 20 0 EHADRM CCn1c(C)cc(C(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1C ZINC000830407915 601091175 /nfs/dbraw/zinc/09/11/75/601091175.db2.gz FKRBZHGWYQOWPG-WMZOPIPTSA-N -1 0 346.471 3.620 20 0 EHADRM Cc1ccc(C(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cc1C ZINC000832912640 601091410 /nfs/dbraw/zinc/09/14/10/601091410.db2.gz WDQQJROFNATMAG-QZTJIDSGSA-N -1 0 329.440 3.799 20 0 EHADRM Cc1ccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])cc1C ZINC000832912641 601091439 /nfs/dbraw/zinc/09/14/39/601091439.db2.gz WDQQJROFNATMAG-ROUUACIJSA-N -1 0 329.440 3.799 20 0 EHADRM O=C([O-])c1ccc(-c2nc(CSc3cnccn3)cs2)cc1 ZINC000740096510 601096680 /nfs/dbraw/zinc/09/66/80/601096680.db2.gz BCFKOOOMRXDNTC-UHFFFAOYSA-N -1 0 329.406 3.591 20 0 EHADRM Cc1cc(C(=O)COC(=O)c2ccc(NC(=O)[O-])cc2)cc(C)c1F ZINC000832857870 601099252 /nfs/dbraw/zinc/09/92/52/601099252.db2.gz CAUAWFHKEVUIHL-UHFFFAOYSA-N -1 0 345.326 3.572 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)Nc1ncc(C(C)(C)C)s1 ZINC000830815221 601100994 /nfs/dbraw/zinc/10/09/94/601100994.db2.gz XIBLTMUAOYHSSA-UHFFFAOYSA-N -1 0 347.440 3.803 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000237839871 601109500 /nfs/dbraw/zinc/10/95/00/601109500.db2.gz WJRIYVHPVVHZGF-UHFFFAOYSA-N -1 0 325.364 3.603 20 0 EHADRM CCN(C(=O)CCc1ccc(C(C)C)cc1)c1ncc(C(=O)[O-])s1 ZINC000737052688 601113513 /nfs/dbraw/zinc/11/35/13/601113513.db2.gz GFLWAMLNQGEMEG-UHFFFAOYSA-N -1 0 346.452 3.950 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2ccc3nc(C4CC4)sc3c2)CCC1 ZINC000649539546 601126514 /nfs/dbraw/zinc/12/65/14/601126514.db2.gz YZBDCGUBQXUKFF-UHFFFAOYSA-N -1 0 345.424 3.693 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)NC1(CC(=O)[O-])CCC1 ZINC000649539988 601129992 /nfs/dbraw/zinc/12/99/92/601129992.db2.gz OZRKEUVFHUUTBC-UHFFFAOYSA-N -1 0 340.807 3.646 20 0 EHADRM CC(C)C[C@@H](CNC(=O)c1ccc(Oc2ccccc2)o1)C(=O)[O-] ZINC000262167895 601138788 /nfs/dbraw/zinc/13/87/88/601138788.db2.gz NLWGAFSQYBFJGO-ZDUSSCGKSA-N -1 0 331.368 3.549 20 0 EHADRM COc1ccc(F)cc1[C@H](C)NC(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000832378416 601138941 /nfs/dbraw/zinc/13/89/41/601138941.db2.gz MPEPHYYKZGACPY-NSHDSACASA-N -1 0 346.358 3.724 20 0 EHADRM CC(=O)Nc1cc(NC(=O)Nc2ccc(C)c(C(=O)[O-])c2)ccc1C ZINC000825890465 601140110 /nfs/dbraw/zinc/14/01/10/601140110.db2.gz LXFLZFXVZJUZIP-UHFFFAOYSA-N -1 0 341.367 3.604 20 0 EHADRM Cc1cnc([C@@H](NC(=O)Nc2ccc(C)c(C(=O)[O-])c2)C2CC2)s1 ZINC000832985826 601140121 /nfs/dbraw/zinc/14/01/21/601140121.db2.gz PONRAWWDQZISPN-AWEZNQCLSA-N -1 0 345.424 3.731 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Oc2ccc(C)cc2C(=O)[O-])cc1 ZINC000832221254 601142264 /nfs/dbraw/zinc/14/22/64/601142264.db2.gz XFULKCRHOZTUMA-CYBMUJFWSA-N -1 0 328.364 3.801 20 0 EHADRM C[C@@H]1CCc2c(C(=O)N(CC(=O)[O-])c3cccc(F)c3)csc2C1 ZINC000828311326 601143601 /nfs/dbraw/zinc/14/36/01/601143601.db2.gz WSZOIIVURXNKPL-LLVKDONJSA-N -1 0 347.411 3.743 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)CCCc2ccc(C)s2)c1 ZINC000832182886 601147573 /nfs/dbraw/zinc/14/75/73/601147573.db2.gz NPKXEYVVFCRGRT-UHFFFAOYSA-N -1 0 334.393 3.692 20 0 EHADRM CC[C@H](CNC(=O)c1ccc(NC(=O)[O-])cc1)Oc1ccccc1F ZINC000828884001 601147782 /nfs/dbraw/zinc/14/77/82/601147782.db2.gz MSGINLPWWVOKCX-CQSZACIVSA-N -1 0 346.358 3.503 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N(Cc2ccccc2)c2ccccn2)C1 ZINC000833184939 601149167 /nfs/dbraw/zinc/14/91/67/601149167.db2.gz IYWPRIJBRSHVKR-IAGOWNOFSA-N -1 0 338.407 3.506 20 0 EHADRM C[C@H]1c2ccccc2CN1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000828526581 601150710 /nfs/dbraw/zinc/15/07/10/601150710.db2.gz ACWOWPXJGPYXDX-ZDUSSCGKSA-N -1 0 339.395 3.605 20 0 EHADRM COc1ccc(NC(=O)CCCc2ccc(C)s2)c(C(=O)[O-])c1 ZINC000570721516 601151930 /nfs/dbraw/zinc/15/19/30/601151930.db2.gz ZBWZMSPYEFGULH-UHFFFAOYSA-N -1 0 333.409 3.725 20 0 EHADRM Cc1ccc(CCCC(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC000192952799 601155838 /nfs/dbraw/zinc/15/58/38/601155838.db2.gz IEUBYRVCNGSCSE-OAHLLOKOSA-N -1 0 329.421 3.594 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N(c2ccccc2F)C2CCCC2)C1 ZINC000833183979 601160118 /nfs/dbraw/zinc/16/01/18/601160118.db2.gz BUQVTLWJELSFGC-UONOGXRCSA-N -1 0 333.403 3.992 20 0 EHADRM C[C@H](C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-])c1cccc(F)c1 ZINC000262516342 601163483 /nfs/dbraw/zinc/16/34/83/601163483.db2.gz LIGCUYLPHVDOAA-GDZNZVCISA-N -1 0 329.371 3.507 20 0 EHADRM CCCc1nc(C)c(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])s1 ZINC000236936822 601164553 /nfs/dbraw/zinc/16/45/53/601164553.db2.gz DZODRLVPIALDJM-IAQYHMDHSA-N -1 0 346.452 3.596 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cnc(C(C)(C)C)s1)c1ccccc1 ZINC000237676843 601165628 /nfs/dbraw/zinc/16/56/28/601165628.db2.gz RPRRFXLGCPDLNP-BXUZGUMPSA-N -1 0 346.452 3.632 20 0 EHADRM C[C@H](CC(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-])c1cccc(F)c1 ZINC000262405258 601165639 /nfs/dbraw/zinc/16/56/39/601165639.db2.gz AQGLBPRRZVOZSG-BIENJYKASA-N -1 0 343.398 3.898 20 0 EHADRM C/C(=C\CN1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1)C(=O)[O-] ZINC000825746353 601165851 /nfs/dbraw/zinc/16/58/51/601165851.db2.gz HCFLBCYMLJEKPL-WCCBRBCKSA-N -1 0 348.201 3.537 20 0 EHADRM CSCc1ccc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000237386991 601166908 /nfs/dbraw/zinc/16/69/08/601166908.db2.gz JMDDANUGDLIANP-GUYCJALGSA-N -1 0 343.448 3.741 20 0 EHADRM Cc1ccc(CCCC(=O)N(CC(=O)[O-])c2cccc(F)c2)s1 ZINC000832929771 601173636 /nfs/dbraw/zinc/17/36/36/601173636.db2.gz DSXIRBQSJHDSTA-UHFFFAOYSA-N -1 0 335.400 3.636 20 0 EHADRM Cc1oc(-c2ccsc2)nc1COC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833024790 601180664 /nfs/dbraw/zinc/18/06/64/601180664.db2.gz PBXAEKPNJHSEMV-RYUDHWBXSA-N -1 0 349.408 3.646 20 0 EHADRM O=C([O-])CC1(NC(=O)/C=C/c2ccc3ccccc3n2)CCCCC1 ZINC000833203460 601184778 /nfs/dbraw/zinc/18/47/78/601184778.db2.gz NXQIEVUGUYNNRX-ZHACJKMWSA-N -1 0 338.407 3.542 20 0 EHADRM Cc1nc(CC(C)C)sc1C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000531743896 601186095 /nfs/dbraw/zinc/18/60/95/601186095.db2.gz KLOCYXJEXJYKFP-UHFFFAOYSA-N -1 0 338.473 3.557 20 0 EHADRM CCS[C@@H]1CCC[C@@H](NC(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000830158680 601190023 /nfs/dbraw/zinc/19/00/23/601190023.db2.gz ZFSPXMDYUYIXAG-ZIAGYGMSSA-N -1 0 336.457 3.879 20 0 EHADRM CCS[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000388636452 601190570 /nfs/dbraw/zinc/19/05/70/601190570.db2.gz BNFACWLRZOKDNK-QWHCGFSZSA-N -1 0 342.848 3.834 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)OCc2c(Cl)ccc3cccnc32)C1 ZINC000833186645 601192250 /nfs/dbraw/zinc/19/22/50/601192250.db2.gz GKVNNWPAKQDXLV-CHWSQXEVSA-N -1 0 347.798 3.822 20 0 EHADRM CCS[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000318867405 601193150 /nfs/dbraw/zinc/19/31/50/601193150.db2.gz POYKKPPAPLSLAG-STQMWFEESA-N -1 0 342.848 3.834 20 0 EHADRM O=C([O-])c1cccc(COC(=O)c2cccc(C(F)(F)F)c2F)c1 ZINC000833329459 601195484 /nfs/dbraw/zinc/19/54/84/601195484.db2.gz MUHAJMSPJFUNRF-UHFFFAOYSA-N -1 0 342.244 3.900 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cccc(C(F)(F)F)c2F)cc1 ZINC000833316278 601195659 /nfs/dbraw/zinc/19/56/59/601195659.db2.gz XXPQSGDNZFSWAM-UHFFFAOYSA-N -1 0 342.244 3.900 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)c1cccc(C(=O)[O-])n1)C(C)(C)C ZINC000832981894 601208920 /nfs/dbraw/zinc/20/89/20/601208920.db2.gz NTGLIIQTYVHTSY-MRXNPFEDSA-N -1 0 326.396 3.605 20 0 EHADRM C[C@@H](c1ccccc1)N(C)C(=O)CNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000827940046 601246737 /nfs/dbraw/zinc/24/67/37/601246737.db2.gz CINZQURVDJIGNM-LBPRGKRZSA-N -1 0 346.814 3.670 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1Oc1ccnc(C(C)(C)C)n1 ZINC000831975087 601247485 /nfs/dbraw/zinc/24/74/85/601247485.db2.gz BDGNCXMIQDHFCT-VURMDHGXSA-N -1 0 328.368 3.673 20 0 EHADRM C[C@H](c1ccccc1)N(C)C(=O)CNc1ccc(F)c(NC(=O)[O-])c1 ZINC000827940599 601249267 /nfs/dbraw/zinc/24/92/67/601249267.db2.gz HHBYAWRKFYRDOP-GFCCVEGCSA-N -1 0 345.374 3.547 20 0 EHADRM CCO[C@H]1C[C@H](N(C)c2nc(Cl)c(C(=O)[O-])s2)C12CCCC2 ZINC000829925108 601251686 /nfs/dbraw/zinc/25/16/86/601251686.db2.gz NKFNGVLWQHWCCA-UWVGGRQHSA-N -1 0 344.864 3.669 20 0 EHADRM CCc1cccc(C)c1N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000830265633 601264516 /nfs/dbraw/zinc/26/45/16/601264516.db2.gz HPHCFQDKPCIKJT-CQSZACIVSA-N -1 0 344.436 3.535 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)Nc1cccc(Cl)n1)C(=O)[O-] ZINC000827922269 601269312 /nfs/dbraw/zinc/26/93/12/601269312.db2.gz OHHPUSWAXBOWGN-SECBINFHSA-N -1 0 336.800 3.553 20 0 EHADRM CCC1CCC(NC(=O)c2nc(Cl)ccc2Cl)(C(=O)[O-])CC1 ZINC000318361049 601274753 /nfs/dbraw/zinc/27/47/53/601274753.db2.gz GNBDLORJHPPVHA-UHFFFAOYSA-N -1 0 345.226 3.542 20 0 EHADRM Cc1ccc(C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)c(F)c1 ZINC000832911980 601277436 /nfs/dbraw/zinc/27/74/36/601277436.db2.gz CSKYKAZVJPKDBI-UHFFFAOYSA-N -1 0 335.762 3.515 20 0 EHADRM CCN(Cc1ccc2ccccc2c1)C(=O)c1ccnc(C(=O)[O-])c1 ZINC000829722930 601277623 /nfs/dbraw/zinc/27/76/23/601277623.db2.gz UZFBNMNVWZNNHR-UHFFFAOYSA-N -1 0 334.375 3.595 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000829014440 601277725 /nfs/dbraw/zinc/27/77/25/601277725.db2.gz HDGVSRSJQONDLF-INIZCTEOSA-N -1 0 328.368 3.881 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C/C=C\c1cccc(F)c1)c1cccs1 ZINC000675951064 601277942 /nfs/dbraw/zinc/27/79/42/601277942.db2.gz PMTWENZUVTULAK-FWWGQDLDSA-N -1 0 333.384 3.623 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000829014060 601280224 /nfs/dbraw/zinc/28/02/24/601280224.db2.gz ANRSHSXNEFJGCA-HNNXBMFYSA-N -1 0 328.368 3.881 20 0 EHADRM O=C([O-])c1cc(C(=O)N(CCc2ccccc2)c2ccccc2)ccn1 ZINC000238158023 601280756 /nfs/dbraw/zinc/28/07/56/601280756.db2.gz QFFJJKHBISHTHU-UHFFFAOYSA-N -1 0 346.386 3.669 20 0 EHADRM Cc1cscc1C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000678981995 601282849 /nfs/dbraw/zinc/28/28/49/601282849.db2.gz LYQJLHFNHXCDMM-UHFFFAOYSA-N -1 0 331.418 3.899 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H](C)C2CCCC2)cc1 ZINC000832777717 601283246 /nfs/dbraw/zinc/28/32/46/601283246.db2.gz ZBDAQTYSIPHXGD-BLLLJJGKSA-N -1 0 335.469 3.867 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)C/C=C\c2ccc(F)cc2)cc1 ZINC000833281187 601287618 /nfs/dbraw/zinc/28/76/18/601287618.db2.gz FRHRRIRHZVDBHT-UPHRSURJSA-N -1 0 328.343 3.635 20 0 EHADRM CO[C@H](C)c1nc(CN(Cc2ccccc2)C[C@@H](C)C(=O)[O-])cs1 ZINC000570168047 601304819 /nfs/dbraw/zinc/30/48/19/601304819.db2.gz FSEBECCOYNKEGC-ZIAGYGMSSA-N -1 0 348.468 3.573 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)C[C@@H]1CCCc2cc(OC)ccc21 ZINC000346023433 601306431 /nfs/dbraw/zinc/30/64/31/601306431.db2.gz VTXGRTPSQRYPFV-HNNXBMFYSA-N -1 0 347.455 3.655 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cc1C ZINC000832946296 601308875 /nfs/dbraw/zinc/30/88/75/601308875.db2.gz GLKRENKTTVNDJE-INIZCTEOSA-N -1 0 330.359 3.780 20 0 EHADRM Cn1cc(NC(=O)C(C)(C)c2ccc3ccccc3c2)cc1C(=O)[O-] ZINC000833045966 601313062 /nfs/dbraw/zinc/31/30/62/601313062.db2.gz PRBGIBFAIXCFEK-UHFFFAOYSA-N -1 0 336.391 3.793 20 0 EHADRM Cn1cc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1C(=O)[O-] ZINC000833044615 601315160 /nfs/dbraw/zinc/31/51/60/601315160.db2.gz GNUMPFDLLHCOTN-UHFFFAOYSA-N -1 0 344.386 3.703 20 0 EHADRM Cn1cc(NC(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1C(=O)[O-] ZINC000833052121 601322521 /nfs/dbraw/zinc/32/25/21/601322521.db2.gz MQODZAFFWUTUNK-UHFFFAOYSA-N -1 0 332.359 3.547 20 0 EHADRM CCO[C@H]1C[C@H](NC(=O)Nc2ccc(NC(=O)[O-])cc2)C1(CC)CC ZINC000829924746 601337050 /nfs/dbraw/zinc/33/70/50/601337050.db2.gz KJWZXVNLNXLHKY-GJZGRUSLSA-N -1 0 349.431 3.882 20 0 EHADRM CO[C@H](C)c1nc(COc2ccc(C(=O)[O-])cc2Cl)cs1 ZINC000831499159 601343753 /nfs/dbraw/zinc/34/37/53/601343753.db2.gz CRQBFUQVRNBPQF-MRVPVSSYSA-N -1 0 327.789 3.781 20 0 EHADRM C[C@H](SCc1ncc(-c2ccccc2Br)o1)C(=O)[O-] ZINC000827907977 601346068 /nfs/dbraw/zinc/34/60/68/601346068.db2.gz DUPZALFQNVEDKR-QMMMGPOBSA-N -1 0 342.214 3.810 20 0 EHADRM COc1cccc(/C(C)=C/C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000832529053 601359587 /nfs/dbraw/zinc/35/95/87/601359587.db2.gz VGZFIOGGAYQMAG-NCUBBLFSSA-N -1 0 344.338 3.607 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)NCCCCCCC(=O)[O-] ZINC000828149523 601361475 /nfs/dbraw/zinc/36/14/75/601361475.db2.gz LGBPWTJNNGNQGG-RDJZCZTQSA-N -1 0 332.444 3.609 20 0 EHADRM O=C([O-])c1cccc(OCc2noc(CSc3ccccc3)n2)c1 ZINC000833333158 601363871 /nfs/dbraw/zinc/36/38/71/601363871.db2.gz IOLOVALZKVFSAJ-UHFFFAOYSA-N -1 0 342.376 3.639 20 0 EHADRM CCOc1cccc(NC(=S)Nc2ccccc2CC(=O)[O-])c1 ZINC000818251197 601366976 /nfs/dbraw/zinc/36/69/76/601366976.db2.gz URIYOTIUCMTNCP-UHFFFAOYSA-N -1 0 330.409 3.521 20 0 EHADRM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CC1CCCCCC1 ZINC000328041035 601387151 /nfs/dbraw/zinc/38/71/51/601387151.db2.gz IFCXVJLOTSPXRK-GOSISDBHSA-N -1 0 342.439 3.640 20 0 EHADRM C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1cccs1)c1ccc(Cl)s1 ZINC000683298511 601392532 /nfs/dbraw/zinc/39/25/32/601392532.db2.gz DXWVRMDVSMFCPY-IUCAKERBSA-N -1 0 343.857 3.899 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)CCc1cccc(Cl)c1)c1ccccc1 ZINC000237657886 601393755 /nfs/dbraw/zinc/39/37/55/601393755.db2.gz YJWRUHCSROJGEC-FZKQIMNGSA-N -1 0 345.826 3.851 20 0 EHADRM C[C@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccc(Cl)s1 ZINC000190919446 601394300 /nfs/dbraw/zinc/39/43/00/601394300.db2.gz URVPHIQOMRCTGA-JTQLQIEISA-N -1 0 337.828 3.862 20 0 EHADRM C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1cccs1)c1ccc(Cl)s1 ZINC000825995125 601397320 /nfs/dbraw/zinc/39/73/20/601397320.db2.gz NACCKGOPIXIGLF-RDDDGLTNSA-N -1 0 329.830 3.509 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N3C[C@@H]4CCCC[C@@H]4C3)c12 ZINC000833001663 601410667 /nfs/dbraw/zinc/41/06/67/601410667.db2.gz PSUFHDUYBIIFBU-TXEJJXNPSA-N -1 0 331.441 3.633 20 0 EHADRM C/C(=C/COC(=O)CCOc1ccccc1-c1ccccc1)C(=O)[O-] ZINC000825758476 601415018 /nfs/dbraw/zinc/41/50/18/601415018.db2.gz KCLBHXGOHKRATD-PTNGSMBKSA-N -1 0 340.375 3.697 20 0 EHADRM Cc1nc(C)c(C(=O)O[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)o1 ZINC000832994166 601430137 /nfs/dbraw/zinc/43/01/37/601430137.db2.gz FKGRRESSYHXGIZ-LBPRGKRZSA-N -1 0 344.150 3.581 20 0 EHADRM O=C([O-])[C@@H](Nc1ccc(OCC(F)F)cc1)c1ccc(F)cc1 ZINC000833168484 601433883 /nfs/dbraw/zinc/43/38/83/601433883.db2.gz CDPZHHHFZODIQC-HNNXBMFYSA-N -1 0 325.286 3.707 20 0 EHADRM Cn1c2ccccc2c2cc(C(=O)NC3(CC(=O)[O-])CCC3)sc21 ZINC000833040560 601438881 /nfs/dbraw/zinc/43/88/81/601438881.db2.gz AZEVYHBDQTUHQU-UHFFFAOYSA-N -1 0 342.420 3.520 20 0 EHADRM C[C@@H](NC(=O)CNc1ccccc1C(=O)[O-])c1ccc2ccccc2c1 ZINC000827638012 601440408 /nfs/dbraw/zinc/44/04/08/601440408.db2.gz ZOOFWYINBWLILR-CQSZACIVSA-N -1 0 348.402 3.827 20 0 EHADRM CC(C)[C@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2)c2ccccc2N1 ZINC000826742129 601441668 /nfs/dbraw/zinc/44/16/68/601441668.db2.gz VDTSKUZBSIPZAD-MRXNPFEDSA-N -1 0 339.395 3.873 20 0 EHADRM Cc1oc(COC(=O)[C@@H](C)c2ccc(Cl)s2)cc1C(=O)[O-] ZINC000833025966 601442265 /nfs/dbraw/zinc/44/22/65/601442265.db2.gz BCQSSBPUYWLSLD-ZETCQYMHSA-N -1 0 328.773 3.848 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(F)cc1C(=O)[O-])c1ccc(Cl)s1 ZINC000826012206 601446963 /nfs/dbraw/zinc/44/69/63/601446963.db2.gz GFSZUZPWRBZFHR-SSDOTTSWSA-N -1 0 327.764 3.981 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1sc2ccc(OC)cc2c1C ZINC000237137567 601468760 /nfs/dbraw/zinc/46/87/60/601468760.db2.gz LGXLSYHHZJZERU-QGZVFWFLSA-N -1 0 335.425 3.592 20 0 EHADRM COc1cc(Cl)c(Cl)cc1C(=O)OCc1cc(C(=O)[O-])co1 ZINC000832004260 601470793 /nfs/dbraw/zinc/47/07/93/601470793.db2.gz MUDAWRFLRCQSEJ-UHFFFAOYSA-N -1 0 345.134 3.650 20 0 EHADRM Cc1[nH]ccc1C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000832847356 601474712 /nfs/dbraw/zinc/47/47/12/601474712.db2.gz GTABFIPOOKYDLY-GFCCVEGCSA-N -1 0 328.151 3.613 20 0 EHADRM CCS[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000830157943 601479570 /nfs/dbraw/zinc/47/95/70/601479570.db2.gz OUDVRMLVNOIZDO-UONOGXRCSA-N -1 0 340.420 3.710 20 0 EHADRM Cc1nc2ccc(NC(=O)N3CCC(CCC(=O)[O-])CC3)cc2s1 ZINC000656601474 601484444 /nfs/dbraw/zinc/48/44/44/601484444.db2.gz XFYRVROXGJKZMH-UHFFFAOYSA-N -1 0 347.440 3.713 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC000327319326 601486056 /nfs/dbraw/zinc/48/60/56/601486056.db2.gz BDPIRTGNBQJQCN-AWEZNQCLSA-N -1 0 348.443 3.973 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N[C@H](CC(=O)[O-])C3CC3)c(F)c2)cc1 ZINC000767075929 601524597 /nfs/dbraw/zinc/52/45/97/601524597.db2.gz JMCBCTYODQKXBK-GOSISDBHSA-N -1 0 341.382 3.784 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(Cl)c2C)cc(C)c1OCC(=O)[O-] ZINC000237795898 601524999 /nfs/dbraw/zinc/52/49/99/601524999.db2.gz DHGUAFIORPCLMX-UHFFFAOYSA-N -1 0 347.798 3.981 20 0 EHADRM CCN(C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1)c1ccc(C)cc1 ZINC000829602285 601532375 /nfs/dbraw/zinc/53/23/75/601532375.db2.gz JVAQFZUKQXREMT-UHFFFAOYSA-N -1 0 341.407 3.742 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@H]2C2CCCC2)cc(C)c1OCC(=O)[O-] ZINC000237844073 601535109 /nfs/dbraw/zinc/53/51/09/601535109.db2.gz OLXISSUYIASIDJ-KRWDZBQOSA-N -1 0 345.439 3.562 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)s1 ZINC000777363964 601535475 /nfs/dbraw/zinc/53/54/75/601535475.db2.gz RBQZBXOJYWUHOU-ZDUSSCGKSA-N -1 0 347.436 3.628 20 0 EHADRM Cc1ccc(N(C)C(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)c(C)c1 ZINC000832936205 601535859 /nfs/dbraw/zinc/53/58/59/601535859.db2.gz ZUXHQTWMQFWIJR-UHFFFAOYSA-N -1 0 341.407 3.660 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc2ccc(Cl)cc2n1)c1cccs1 ZINC000833125636 601538149 /nfs/dbraw/zinc/53/81/49/601538149.db2.gz FSEFFHLOUDTFSU-CQSZACIVSA-N -1 0 346.795 3.505 20 0 EHADRM Cc1ccc(-c2cnc(CN3CCc4ccccc4[C@H]3C(=O)[O-])o2)cc1 ZINC000832907384 601544218 /nfs/dbraw/zinc/54/42/18/601544218.db2.gz UNRHJNBCYGHNMR-FQEVSTJZSA-N -1 0 348.402 3.834 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)/C=C/SCc2ccco2)cc1 ZINC000830507115 601558925 /nfs/dbraw/zinc/55/89/25/601558925.db2.gz DDMVCWQVFRUPAN-CSKARUKUSA-N -1 0 332.381 3.779 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CCSc1ccccc1)c1ccc(Cl)cc1 ZINC000345777768 601582640 /nfs/dbraw/zinc/58/26/40/601582640.db2.gz MNUWIMCMYIZJOT-INIZCTEOSA-N -1 0 349.839 3.764 20 0 EHADRM C[C@H](CC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccccc1 ZINC000539568119 601582648 /nfs/dbraw/zinc/58/26/48/601582648.db2.gz JQISQUOEORYCBT-PXAZEXFGSA-N -1 0 331.799 3.776 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2CC(Cc3ccccc3Cl)C2)c1 ZINC000833291263 601585104 /nfs/dbraw/zinc/58/51/04/601585104.db2.gz WQJLKNDFPOVLMI-UHFFFAOYSA-N -1 0 344.798 3.745 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@H]1CCCc2ccccc21)c1ccc(Cl)cc1 ZINC000345869860 601585501 /nfs/dbraw/zinc/58/55/01/601585501.db2.gz UPGOKZAWMPUOEQ-IRXDYDNUSA-N -1 0 343.810 3.702 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Nc1cc(F)ccc1F)c1ccccc1 ZINC000826039407 601614346 /nfs/dbraw/zinc/61/43/46/601614346.db2.gz SJHCNTYQSDPVPH-MEBBXXQBSA-N -1 0 334.322 3.548 20 0 EHADRM Cc1cccc(NC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1C ZINC000832971430 601614639 /nfs/dbraw/zinc/61/46/39/601614639.db2.gz ZCTHWOWIYUYEBN-RHSMWYFYSA-N -1 0 326.396 3.887 20 0 EHADRM CCc1ccc(NC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000830253995 601614900 /nfs/dbraw/zinc/61/49/00/601614900.db2.gz QQOOLKLSWPOWAX-GUYCJALGSA-N -1 0 326.396 3.833 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1cccc(-c2cscn2)c1 ZINC000428097982 601615427 /nfs/dbraw/zinc/61/54/27/601615427.db2.gz SLOJYEGVDRSDMI-UHFFFAOYSA-N -1 0 338.388 3.690 20 0 EHADRM O=C([O-])c1ccc(CN2CCC(C(=O)c3ccccc3)CC2)cc1F ZINC000659785288 601615694 /nfs/dbraw/zinc/61/56/94/601615694.db2.gz DVPGMRZGMOEVAX-UHFFFAOYSA-N -1 0 341.382 3.619 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1csc(-c2ccccc2)n1 ZINC000238104002 601615944 /nfs/dbraw/zinc/61/59/44/601615944.db2.gz PXIYOXFCNLEILY-UHFFFAOYSA-N -1 0 338.388 3.690 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000237020562 601616256 /nfs/dbraw/zinc/61/62/56/601616256.db2.gz LMDFSHIKVPRFKN-ZDUSSCGKSA-N -1 0 327.380 3.743 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)Nc1ccccc1CC(=O)[O-] ZINC000237252542 601617110 /nfs/dbraw/zinc/61/71/10/601617110.db2.gz CGBSOZKCQIMPGW-AWEZNQCLSA-N -1 0 341.407 3.530 20 0 EHADRM Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000237723356 601617149 /nfs/dbraw/zinc/61/71/49/601617149.db2.gz ARWKEVVDMHWMGF-UHFFFAOYSA-N -1 0 336.347 3.529 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)ccc1F ZINC000346020292 601619321 /nfs/dbraw/zinc/61/93/21/601619321.db2.gz TYDWYJHVVDOTAG-HNNXBMFYSA-N -1 0 335.762 3.733 20 0 EHADRM Cc1cc(F)cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000345964042 601619860 /nfs/dbraw/zinc/61/98/60/601619860.db2.gz OQPSJXRGRHQGMU-HNNXBMFYSA-N -1 0 335.762 3.733 20 0 EHADRM Cc1nc(C2(NCc3cc(C(=O)[O-])sc3C)CCCCCC2)no1 ZINC000832996459 601622309 /nfs/dbraw/zinc/62/23/09/601622309.db2.gz XSEQEYMSOUUAAG-UHFFFAOYSA-N -1 0 349.456 3.785 20 0 EHADRM COc1ccc(NC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c(C)c1 ZINC000832399090 601623317 /nfs/dbraw/zinc/62/33/17/601623317.db2.gz YPAHPEZSBLJZRM-GUYCJALGSA-N -1 0 342.395 3.587 20 0 EHADRM O=C([O-])[C@H]1CCCCN1C(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000648042931 601625939 /nfs/dbraw/zinc/62/59/39/601625939.db2.gz MGGFVWPFGVOTEI-QGZVFWFLSA-N -1 0 343.354 3.697 20 0 EHADRM O=C([O-])[C@H]1CCCCN1C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000136473232 601629956 /nfs/dbraw/zinc/62/99/56/601629956.db2.gz SOEMRAPCBLLDRM-CQSZACIVSA-N -1 0 344.238 3.782 20 0 EHADRM Cn1cc(-c2nc(CNc3ccc(Cl)c(C(=O)[O-])c3)cs2)cn1 ZINC000833040672 601632920 /nfs/dbraw/zinc/63/29/20/601632920.db2.gz GKVPYUHMBSIKQL-UHFFFAOYSA-N -1 0 348.815 3.507 20 0 EHADRM Cc1nc(-c2cccc(OCc3cc(C(=O)[O-])sc3C)c2)no1 ZINC000832991157 601633014 /nfs/dbraw/zinc/63/30/14/601633014.db2.gz BVRFAYYTIOWXLD-UHFFFAOYSA-N -1 0 330.365 3.692 20 0 EHADRM CCCCC[C@H](NC(=O)c1cnc(-c2ccccc2)s1)C(=O)[O-] ZINC000236682262 601637895 /nfs/dbraw/zinc/63/78/95/601637895.db2.gz PYKHINXHNRMDFY-ZDUSSCGKSA-N -1 0 332.425 3.573 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)[C@@H]2C[C@H]2Cc2ccccc2)c1 ZINC000833317630 601650761 /nfs/dbraw/zinc/65/07/61/601650761.db2.gz ZGIPMDRHTYNAJL-ZIAGYGMSSA-N -1 0 329.783 3.856 20 0 EHADRM Cn1cc(CCC(=O)Nc2ccsc2C(=O)[O-])c2ccccc21 ZINC000833045203 601654421 /nfs/dbraw/zinc/65/44/21/601654421.db2.gz QXAUTOQDLQSYDS-UHFFFAOYSA-N -1 0 328.393 3.509 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NCc1cc(-c2cccs2)on1)c1ccccc1 ZINC000826054471 601657576 /nfs/dbraw/zinc/65/75/76/601657576.db2.gz NJLKVIWPOCXTHT-SJKOYZFVSA-N -1 0 342.420 3.955 20 0 EHADRM Cn1c2ccccc2c(Cl)c1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000362699161 601663171 /nfs/dbraw/zinc/66/31/71/601663171.db2.gz NESBEFQSQUXEGO-UHFFFAOYSA-N -1 0 342.782 3.711 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OCc1nc2cc(F)ccc2o1 ZINC000831976309 601674272 /nfs/dbraw/zinc/67/42/72/601674272.db2.gz MPCZLYXGCLTQIQ-CLTKARDFSA-N -1 0 343.310 3.652 20 0 EHADRM O=C([O-])C1(CNC(=O)CCCc2csc3ccccc23)CCCC1 ZINC000678983744 601682698 /nfs/dbraw/zinc/68/26/98/601682698.db2.gz WXFPCVJVLVTWKM-UHFFFAOYSA-N -1 0 345.464 3.985 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccc(Cl)cc1 ZINC000345883741 601697571 /nfs/dbraw/zinc/69/75/71/601697571.db2.gz SANIBEFEDBAJLE-OAHLLOKOSA-N -1 0 346.745 3.516 20 0 EHADRM O=C([O-])c1ccc(COC(=O)C2(c3ccc(Cl)cc3)CC2)cc1F ZINC000833315015 601703758 /nfs/dbraw/zinc/70/37/58/601703758.db2.gz OYXYYYJTAAGCLB-UHFFFAOYSA-N -1 0 348.757 3.952 20 0 EHADRM CC(C)(CNC(=O)c1ccc(CSc2ccccc2)cc1)C(=O)[O-] ZINC000236717422 601706721 /nfs/dbraw/zinc/70/67/21/601706721.db2.gz BUKJRWQXFPBAGJ-UHFFFAOYSA-N -1 0 343.448 3.820 20 0 EHADRM Cc1cc(NC(=O)N2CCc3c(F)ccc(F)c3C2)ccc1C(=O)[O-] ZINC000832895920 601713614 /nfs/dbraw/zinc/71/36/14/601713614.db2.gz WQETZGHIQYKRFA-UHFFFAOYSA-N -1 0 346.333 3.562 20 0 EHADRM C[C@@H](N(C)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)C1(C)CC1 ZINC000827603140 601722261 /nfs/dbraw/zinc/72/22/61/601722261.db2.gz GFNISMIXEIMDJQ-SECBINFHSA-N -1 0 342.342 3.639 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccc(F)cc1F ZINC000736648782 601724042 /nfs/dbraw/zinc/72/40/42/601724042.db2.gz KSUDVZCOUZMOKN-JTQLQIEISA-N -1 0 349.337 3.615 20 0 EHADRM CCSc1cc(C(=O)OCc2cc(C(=O)[O-])sc2C)ccn1 ZINC000830169738 601725011 /nfs/dbraw/zinc/72/50/11/601725011.db2.gz WUSNGJSALMWZEE-UHFFFAOYSA-N -1 0 337.422 3.619 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)[C@H]1CSc2ccccc21 ZINC000833031429 601729784 /nfs/dbraw/zinc/72/97/84/601729784.db2.gz KTLMBRPOOVARMP-LBPRGKRZSA-N -1 0 334.418 3.687 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000833032306 601730203 /nfs/dbraw/zinc/73/02/03/601730203.db2.gz YTRLMHFTVLEDAC-UHFFFAOYSA-N -1 0 347.367 3.661 20 0 EHADRM Cc1ccc(CCCC(=O)OCc2ccc(C(=O)[O-])c(F)c2)s1 ZINC000832930426 601734340 /nfs/dbraw/zinc/73/43/40/601734340.db2.gz MWLYWYMOHYPAPZ-UHFFFAOYSA-N -1 0 336.384 3.960 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc(Cl)sc1Cl)c1ccccc1F ZINC000678985018 601742088 /nfs/dbraw/zinc/74/20/88/601742088.db2.gz IKBPPYCPVDFYBW-JTQLQIEISA-N -1 0 348.182 3.750 20 0 EHADRM CC(C)Oc1ccc(C(=O)Nc2nc(CCCC(=O)[O-])cs2)cc1 ZINC000391673172 601743023 /nfs/dbraw/zinc/74/30/23/601743023.db2.gz KYFHXAVFUYGWDG-UHFFFAOYSA-N -1 0 348.424 3.590 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC000678986630 601743694 /nfs/dbraw/zinc/74/36/94/601743694.db2.gz QOVKTVSUMGBXRJ-FZKQIMNGSA-N -1 0 329.371 3.570 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1F ZINC000678990598 601744189 /nfs/dbraw/zinc/74/41/89/601744189.db2.gz UZOIGNGBARGTJC-ZDUSSCGKSA-N -1 0 342.153 3.688 20 0 EHADRM O=C([O-])CCCc1csc(NC(=O)C23CC4CC(CC(C4)C2)C3)n1 ZINC000325204569 601746522 /nfs/dbraw/zinc/74/65/22/601746522.db2.gz KHSJWUJCPKBOES-UHFFFAOYSA-N -1 0 348.468 3.705 20 0 EHADRM CC[C@H]1CC[C@@H](C(=O)OCc2c3ccccc3sc2C(=O)[O-])O1 ZINC000829079802 601747742 /nfs/dbraw/zinc/74/77/42/601747742.db2.gz ACMALMAXUBBOTJ-GWCFXTLKSA-N -1 0 334.393 3.600 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC000828900187 601747791 /nfs/dbraw/zinc/74/77/91/601747791.db2.gz DXOBJUPBWBWZDY-AWEZNQCLSA-N -1 0 346.452 3.758 20 0 EHADRM CC[C@H](NC(=O)c1ccc(Oc2ccccc2Cl)cc1)C(=O)[O-] ZINC000828976625 601754950 /nfs/dbraw/zinc/75/49/50/601754950.db2.gz VIOFZZWSBXTHQG-AWEZNQCLSA-N -1 0 333.771 3.725 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)C1CCCCC1 ZINC000833125800 601756755 /nfs/dbraw/zinc/75/67/55/601756755.db2.gz QHKQLQSUGQKIJE-PMPSAXMXSA-N -1 0 335.831 3.593 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccccc2-c2cccs2)C[C@H]1C(=O)[O-] ZINC000828376828 601774789 /nfs/dbraw/zinc/77/47/89/601774789.db2.gz FQTPJTCFSSMLDA-DGCLKSJQSA-N -1 0 330.409 3.600 20 0 EHADRM Cc1nn(Cc2c(Cl)ccc3cccnc32)c(C)c1[C@@H](C)C(=O)[O-] ZINC000833016822 601779602 /nfs/dbraw/zinc/77/96/02/601779602.db2.gz JAPRYNPTPDZYEP-SNVBAGLBSA-N -1 0 343.814 3.938 20 0 EHADRM Cc1nn(CCCOc2ccc(C)c(C)c2)c(C)c1[C@H](C)C(=O)[O-] ZINC000832952004 601780267 /nfs/dbraw/zinc/78/02/67/601780267.db2.gz BIIVTSOLZFGNQS-AWEZNQCLSA-N -1 0 330.428 3.774 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1F ZINC000325238910 601780858 /nfs/dbraw/zinc/78/08/58/601780858.db2.gz QYPYCMUOFHUZBW-SNVBAGLBSA-N -1 0 334.322 3.854 20 0 EHADRM CN(C)C(=O)Sc1cccc(CNc2ccccc2C(=O)[O-])c1 ZINC000830569579 601787208 /nfs/dbraw/zinc/78/72/08/601787208.db2.gz PKWNYIPIYOXSET-UHFFFAOYSA-N -1 0 330.409 3.771 20 0 EHADRM O=C([O-])c1cc(NCc2noc(-c3cccs3)n2)ccc1Cl ZINC000833300062 601789960 /nfs/dbraw/zinc/78/99/60/601789960.db2.gz JGHGLISGULJJIY-UHFFFAOYSA-N -1 0 335.772 3.762 20 0 EHADRM O=C([O-])CCC1CCN(C(=S)Nc2cccc(Cl)c2)CC1 ZINC000833224476 601794414 /nfs/dbraw/zinc/79/44/14/601794414.db2.gz OOAHUPZPYMBVBG-UHFFFAOYSA-N -1 0 326.849 3.614 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c(C)n1 ZINC000832948621 601798274 /nfs/dbraw/zinc/79/82/74/601798274.db2.gz UJQDPPJICBZQJH-HNNXBMFYSA-N -1 0 347.802 3.689 20 0 EHADRM COc1cccc([C@H](C)CC(=O)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC000237325518 601803116 /nfs/dbraw/zinc/80/31/16/601803116.db2.gz OULBRQHAFJGICP-CQSZACIVSA-N -1 0 341.407 3.845 20 0 EHADRM CCC(CC)[C@H](NC(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000828854885 601803811 /nfs/dbraw/zinc/80/38/11/601803811.db2.gz XUINLQOJFZLVGT-JQFCIGGWSA-N -1 0 332.444 3.526 20 0 EHADRM Cc1ccn2cc(C(=O)Nc3scc(C4CC4)c3C(=O)[O-])nc2c1 ZINC000832983374 601807356 /nfs/dbraw/zinc/80/73/56/601807356.db2.gz SUHVLHJIZCVTRA-UHFFFAOYSA-N -1 0 341.392 3.532 20 0 EHADRM CCN(c1ccc(C(=O)N2CCC(CCC(=O)[O-])CC2)cc1)C(C)C ZINC000659774088 601819020 /nfs/dbraw/zinc/81/90/20/601819020.db2.gz GQPOWSUQTSBTSZ-UHFFFAOYSA-N -1 0 346.471 3.638 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000050922333 601822111 /nfs/dbraw/zinc/82/21/11/601822111.db2.gz YMGUGJSSUJQOOA-UHFFFAOYSA-N -1 0 330.211 3.710 20 0 EHADRM Cc1cccc(C(C)(C)CNC(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC000659395024 601825771 /nfs/dbraw/zinc/82/57/71/601825771.db2.gz DIEZPQHKPUTLDQ-UHFFFAOYSA-N -1 0 346.471 3.559 20 0 EHADRM Cc1cc(C)cc(C[C@@H](C)NC(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC000659398812 601827969 /nfs/dbraw/zinc/82/79/69/601827969.db2.gz HDABKAIOXFMJBB-MRXNPFEDSA-N -1 0 346.471 3.521 20 0 EHADRM COC(=O)c1cc(NCc2nc(C(C)(C)C)cs2)ccc1C(=O)[O-] ZINC000831322918 601832426 /nfs/dbraw/zinc/83/24/26/601832426.db2.gz NXGUPHAKSXWEIW-UHFFFAOYSA-N -1 0 348.424 3.538 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000324238720 601838389 /nfs/dbraw/zinc/83/83/89/601838389.db2.gz AHIYZHLGODLBIJ-UHFFFAOYSA-N -1 0 344.333 3.814 20 0 EHADRM Cc1ccccc1-c1nnc(SCc2ccc(C(=O)[O-])s2)n1C ZINC000832975185 601845478 /nfs/dbraw/zinc/84/54/78/601845478.db2.gz QMSAHJRHHNMPAU-UHFFFAOYSA-N -1 0 345.449 3.843 20 0 EHADRM C[C@@H](SCc1ccc(C(=O)[O-])s1)C(=O)N(C)c1ccccc1 ZINC000827908588 601846220 /nfs/dbraw/zinc/84/62/20/601846220.db2.gz LHNTUCKAAGLIJR-LLVKDONJSA-N -1 0 335.450 3.731 20 0 EHADRM COC(=O)c1cc(CSCc2ccc(C(=O)[O-])s2)oc1C ZINC000831248824 601846407 /nfs/dbraw/zinc/84/64/07/601846407.db2.gz RXJJESWEACSMAA-UHFFFAOYSA-N -1 0 326.395 3.568 20 0 EHADRM C[C@H](NC(=O)NCc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000320348025 601848081 /nfs/dbraw/zinc/84/80/81/601848081.db2.gz DYOHATBCSWPJAM-NSHDSACASA-N -1 0 332.787 3.599 20 0 EHADRM CCCc1c(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)[nH]c(C)c1C(C)=O ZINC000767201472 601849669 /nfs/dbraw/zinc/84/96/69/601849669.db2.gz QLJNYWNSBDREBM-UHFFFAOYSA-N -1 0 346.358 3.568 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cncc(-c3ccccc3)c2)c1 ZINC000832179054 601861297 /nfs/dbraw/zinc/86/12/97/601861297.db2.gz RFSCERYQSWXFLZ-UHFFFAOYSA-N -1 0 348.358 3.708 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1F ZINC000767207473 601876602 /nfs/dbraw/zinc/87/66/02/601876602.db2.gz VONNTIFXMYYEIP-UHFFFAOYSA-N -1 0 332.718 3.911 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)Cc2cc3ccccc3o2)cc1 ZINC000833264330 601879201 /nfs/dbraw/zinc/87/92/01/601879201.db2.gz MVYWAZGUBRZXSC-UHFFFAOYSA-N -1 0 342.372 3.758 20 0 EHADRM Cc1cccc([C@H](C)C(=O)Oc2ccc(SCC(=O)[O-])cc2)c1 ZINC000832966536 601880236 /nfs/dbraw/zinc/88/02/36/601880236.db2.gz QHSZRERLDDDRFJ-ZDUSSCGKSA-N -1 0 330.405 3.881 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cc(F)ccc2Br)cc1 ZINC000232224278 601896109 /nfs/dbraw/zinc/89/61/09/601896109.db2.gz PHMVCTVRLCLUDB-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM CC[C@H](C)Oc1ccc(NC(=O)[C@@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000739248773 601899164 /nfs/dbraw/zinc/89/91/64/601899164.db2.gz KDFHEURYEZOQPL-GUYCJALGSA-N -1 0 342.395 3.811 20 0 EHADRM Cc1cccc2c(CC(=O)N[C@H]3CCCCCC[C@H]3C(=O)[O-])c[nH]c21 ZINC000262197248 601906237 /nfs/dbraw/zinc/90/62/37/601906237.db2.gz ZPCCQZRODPZOOG-SJORKVTESA-N -1 0 342.439 3.559 20 0 EHADRM CC(C)Oc1ccccc1CC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000537366278 601911783 /nfs/dbraw/zinc/91/17/83/601911783.db2.gz NFALYQHOTPIJPA-IAGOWNOFSA-N -1 0 347.455 3.556 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000539573291 601920176 /nfs/dbraw/zinc/92/01/76/601920176.db2.gz BJGMKVDTLNHXGD-UHFFFAOYSA-N -1 0 345.826 3.923 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CCCCCC2)cc(C(F)(F)F)c1 ZINC000833281807 601950573 /nfs/dbraw/zinc/95/05/73/601950573.db2.gz OZMQHTXUFBYZSQ-UHFFFAOYSA-N -1 0 330.306 3.812 20 0 EHADRM Cc1ccc2[nH]c3c(c2c1)CN(Cc1ccc(C(=O)[O-])s1)CC3 ZINC000832959471 601951017 /nfs/dbraw/zinc/95/10/17/601951017.db2.gz UGCDOQRWIVJDGL-UHFFFAOYSA-N -1 0 326.421 3.794 20 0 EHADRM CC1CCN(C(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000828284922 601951734 /nfs/dbraw/zinc/95/17/34/601951734.db2.gz JLRUWBFXMHKGLL-UHFFFAOYSA-N -1 0 330.306 3.667 20 0 EHADRM Cc1ccc(Br)c(C(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000161386689 601956594 /nfs/dbraw/zinc/95/65/94/601956594.db2.gz JAIQEPSZWURPMM-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM O=C([O-])N1[C@H](C(=O)Nc2cccc(C(F)F)c2)C[C@@H]2CCCC[C@@H]21 ZINC000740471476 601961160 /nfs/dbraw/zinc/96/11/60/601961160.db2.gz WNSITJTVXDMUGH-BPNCWPANSA-N -1 0 338.354 3.874 20 0 EHADRM Cc1cc(CNc2cc(C(=O)[O-])ccc2OCc2ccccc2)no1 ZINC000832885198 601964247 /nfs/dbraw/zinc/96/42/47/601964247.db2.gz KFAGPJULMRUMDM-UHFFFAOYSA-N -1 0 338.363 3.872 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)[O-])c1 ZINC000739794745 601966844 /nfs/dbraw/zinc/96/68/44/601966844.db2.gz CNIIHJFIRVOMTN-WNOSKKOXSA-N -1 0 346.427 3.644 20 0 EHADRM O=C([O-])Nc1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)cn1 ZINC000740713428 601978877 /nfs/dbraw/zinc/97/88/77/601978877.db2.gz WCJVVBJCAXNURI-UHFFFAOYSA-N -1 0 340.767 3.773 20 0 EHADRM Cc1c(Cl)cccc1NC(=S)Nc1ccc(NC(=O)[O-])nc1 ZINC000740046074 601979033 /nfs/dbraw/zinc/97/90/33/601979033.db2.gz NWZCSCNFCGNHFD-UHFFFAOYSA-N -1 0 336.804 3.942 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)Nc2ccccc2SC(F)(F)F)C1 ZINC000263474436 601989080 /nfs/dbraw/zinc/98/90/80/601989080.db2.gz IUIPMLMRRCFRLM-CYBMUJFWSA-N -1 0 348.346 3.627 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000827456481 601992000 /nfs/dbraw/zinc/99/20/00/601992000.db2.gz XJMIISPREYQNJE-GFCCVEGCSA-N -1 0 349.789 3.842 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cccc(Br)c2)s1 ZINC000833353808 601997509 /nfs/dbraw/zinc/99/75/09/601997509.db2.gz ZLWZFMNPLFJKHH-UHFFFAOYSA-N -1 0 341.182 3.566 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)N(C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)C1 ZINC000828234168 601998126 /nfs/dbraw/zinc/99/81/26/601998126.db2.gz WCIOCKBAPYXESN-HFBDOXOYSA-N -1 0 343.345 3.514 20 0 EHADRM CCn1cc(CC(=O)OCc2ccc(C(=O)[O-])s2)c2ccccc21 ZINC000830419853 602006581 /nfs/dbraw/zinc/00/65/81/602006581.db2.gz BGHAACWWOPXXEF-UHFFFAOYSA-N -1 0 343.404 3.707 20 0 EHADRM Cc1cccc2[nH]cc(CC(=O)OCc3ccc(C(=O)[O-])s3)c21 ZINC000832976472 602008622 /nfs/dbraw/zinc/00/86/22/602008622.db2.gz WZJWVFSCDQOZAH-UHFFFAOYSA-N -1 0 329.377 3.522 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)OCc2ccc(C(=O)[O-])s2)s1 ZINC000832899132 602009623 /nfs/dbraw/zinc/00/96/23/602009623.db2.gz HQFZMFYIKVKSRN-UHFFFAOYSA-N -1 0 348.348 3.775 20 0 EHADRM O=C([O-])Cc1cccc(Nc2nc(C(F)F)nc3ccccc32)c1 ZINC000738630181 602009997 /nfs/dbraw/zinc/00/99/97/602009997.db2.gz AGDNIJRFRIWDKE-UHFFFAOYSA-N -1 0 329.306 3.938 20 0 EHADRM C[C@@H](NC(=O)[O-])[C@H]1CCCCN1C(=O)c1cccc(Cl)c1Cl ZINC000739011967 602021226 /nfs/dbraw/zinc/02/12/26/602021226.db2.gz QZUHRGXPYNQILF-BXKDBHETSA-N -1 0 345.226 3.644 20 0 EHADRM O=C([O-])Nc1cc(C(=O)NCCC2CCC2)cc(C(F)(F)F)c1 ZINC000833282298 602032827 /nfs/dbraw/zinc/03/28/27/602032827.db2.gz XFROVFFMPFIGLE-UHFFFAOYSA-N -1 0 330.306 3.715 20 0 EHADRM C[C@H](OC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1)C(F)(F)F ZINC000827844525 602037927 /nfs/dbraw/zinc/03/79/27/602037927.db2.gz PLSFSZHTWRWSSC-YFKPBYRVSA-N -1 0 345.195 3.903 20 0 EHADRM C[C@]1(COC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)CCCO1 ZINC000828106682 602039833 /nfs/dbraw/zinc/03/98/33/602039833.db2.gz FZQQBPAQEAGXBI-CQSZACIVSA-N -1 0 347.289 3.521 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)c1cccc(Cl)c1F ZINC000833132174 602042757 /nfs/dbraw/zinc/04/27/57/602042757.db2.gz WKWRHLPQSDXMSA-GWCFXTLKSA-N -1 0 327.783 3.633 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2cc(Cl)ccc2NC2CC2)C1 ZINC000833186736 602047220 /nfs/dbraw/zinc/04/72/20/602047220.db2.gz NWARLYYXKRGESV-GHMZBOCLSA-N -1 0 336.819 3.744 20 0 EHADRM O=C([O-])N1CCCN(C(=O)Nc2cccc(-c3cccs3)c2)CC1 ZINC000738645569 602051212 /nfs/dbraw/zinc/05/12/12/602051212.db2.gz YUPMZUGQHRGMSJ-UHFFFAOYSA-N -1 0 345.424 3.633 20 0 EHADRM Cc1cc2sc(NC(=O)C3CCC(NC(=O)[O-])CC3)nc2c(C)c1 ZINC000740063120 602062879 /nfs/dbraw/zinc/06/28/79/602062879.db2.gz GTCXYSTXRQCFAE-UHFFFAOYSA-N -1 0 347.440 3.678 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)CCCOc2ccccc2Cl)c1 ZINC000345755452 602065653 /nfs/dbraw/zinc/06/56/53/602065653.db2.gz XRGZPSXYVSWEQS-UHFFFAOYSA-N -1 0 347.798 3.765 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000236737159 602067356 /nfs/dbraw/zinc/06/73/56/602067356.db2.gz DCLHGZVINKRPLG-UHFFFAOYSA-N -1 0 339.391 3.911 20 0 EHADRM Cc1nc(-c2ccco2)ccc1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000428088891 602068275 /nfs/dbraw/zinc/06/82/75/602068275.db2.gz SIPBPGARNWMYRO-UHFFFAOYSA-N -1 0 336.347 3.529 20 0 EHADRM Cc1nc(-c2ccccc2)ccc1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000428092329 602068570 /nfs/dbraw/zinc/06/85/70/602068570.db2.gz PNIZYLYVPFWMPU-UHFFFAOYSA-N -1 0 346.386 3.936 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2cccc(C(F)(F)F)c2F)c1 ZINC000238111624 602068809 /nfs/dbraw/zinc/06/88/09/602068809.db2.gz KLJJKMPLPPSSLK-UHFFFAOYSA-N -1 0 341.260 3.724 20 0 EHADRM CCOc1ccc(Oc2ccc(NC(=O)[C@@H](C)CC(=O)[O-])cc2)cc1 ZINC000830088863 602070032 /nfs/dbraw/zinc/07/00/32/602070032.db2.gz NOZRGLFFRFISCG-ZDUSSCGKSA-N -1 0 343.379 3.927 20 0 EHADRM Cc1oc(-c2cccs2)nc1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000738388390 602072162 /nfs/dbraw/zinc/07/21/62/602072162.db2.gz NQAQQCDYGWTNIS-UHFFFAOYSA-N -1 0 342.376 3.591 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)c1 ZINC000238128710 602074717 /nfs/dbraw/zinc/07/47/17/602074717.db2.gz AHFAURJKVHSUAE-UHFFFAOYSA-N -1 0 328.755 3.701 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000532695849 602074754 /nfs/dbraw/zinc/07/47/54/602074754.db2.gz GRWRIJOUIWCWAJ-JLSDUUJJSA-N -1 0 347.455 3.730 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)C(F)(F)c2cccc(Cl)c2)c1 ZINC000738620961 602076663 /nfs/dbraw/zinc/07/66/63/602076663.db2.gz GNTXQKOGRMGNBP-UHFFFAOYSA-N -1 0 339.725 3.698 20 0 EHADRM Cc1ccc(CN(CCc2ccccc2)C(=O)[C@@H](C)CC(=O)[O-])s1 ZINC000832932328 602084923 /nfs/dbraw/zinc/08/49/23/602084923.db2.gz SHVRVHPIOSMVHQ-AWEZNQCLSA-N -1 0 345.464 3.739 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccnc(F)c1)c1cc(Cl)cc(Cl)c1 ZINC000833352107 602085541 /nfs/dbraw/zinc/08/55/41/602085541.db2.gz ZBMBETLQMBEUQH-LBPRGKRZSA-N -1 0 344.125 3.510 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)N[C@@H](c2ccccc2F)C2CCCC2)C1 ZINC000263284766 602088134 /nfs/dbraw/zinc/08/81/34/602088134.db2.gz UKBHFMHQKZSWLN-APWZRJJASA-N -1 0 348.418 3.563 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cncc(F)c1)c1cc(Cl)cc(Cl)c1 ZINC000833349806 602090227 /nfs/dbraw/zinc/09/02/27/602090227.db2.gz GLJVDMPZZRBAPO-LBPRGKRZSA-N -1 0 344.125 3.510 20 0 EHADRM Cc1csc(Sc2ccc(NC(=O)[C@H](C)CC(=O)[O-])cc2)n1 ZINC000832989183 602106081 /nfs/dbraw/zinc/10/60/81/602106081.db2.gz CQKRKDUSVNUUHU-SECBINFHSA-N -1 0 336.438 3.652 20 0 EHADRM CCC(CC)(CC)C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC000828810709 602106493 /nfs/dbraw/zinc/10/64/93/602106493.db2.gz PHCLRMOCFHOMJH-UHFFFAOYSA-N -1 0 335.429 3.991 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000391748241 602107760 /nfs/dbraw/zinc/10/77/60/602107760.db2.gz VWROXFYJFCROFW-UHFFFAOYSA-N -1 0 345.223 3.934 20 0 EHADRM O=C([O-])c1ccc(F)c(NCc2nnc(-c3ccc(Cl)cc3)o2)c1 ZINC000833319251 602127459 /nfs/dbraw/zinc/12/74/59/602127459.db2.gz JJJMHIOVFXYFSD-UHFFFAOYSA-N -1 0 347.733 3.839 20 0 EHADRM CSc1cc(C(=O)NCCCCC(=O)[O-])c(Cl)cc1Cl ZINC000237426338 602127468 /nfs/dbraw/zinc/12/74/68/602127468.db2.gz FJSPJPDTDCPAPI-UHFFFAOYSA-N -1 0 336.240 3.700 20 0 EHADRM CC(C)Sc1ccccc1NCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000827073322 602129861 /nfs/dbraw/zinc/12/98/61/602129861.db2.gz WPKHTQGCTWUTDD-UHFFFAOYSA-N -1 0 344.436 3.936 20 0 EHADRM COCCC1(CNc2nc(C)nc3sc(C(=O)[O-])c(C)c32)CCC1 ZINC000519407777 602134870 /nfs/dbraw/zinc/13/48/70/602134870.db2.gz ZLOSBJTYELYCMN-UHFFFAOYSA-N -1 0 349.456 3.625 20 0 EHADRM C[C@H](COc1ccccc1)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000827524305 602137218 /nfs/dbraw/zinc/13/72/18/602137218.db2.gz GGHFZHPAZZYNBT-LLVKDONJSA-N -1 0 332.331 3.569 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N[C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000827272667 602138447 /nfs/dbraw/zinc/13/84/47/602138447.db2.gz PDSSEIWLDOBXCE-KBPBESRZSA-N -1 0 327.380 3.767 20 0 EHADRM Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)[C@@H](C)CC(=O)[O-] ZINC000832976235 602142981 /nfs/dbraw/zinc/14/29/81/602142981.db2.gz JYUIUWYQDZGXDP-ZDUSSCGKSA-N -1 0 343.427 3.528 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2ccc(-c3ccco3)s2)cc1 ZINC000821139194 602150269 /nfs/dbraw/zinc/15/02/69/602150269.db2.gz WBSMAQOFGMZUTL-UHFFFAOYSA-N -1 0 327.361 3.636 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(Cl)cc2C)cc1 ZINC000685018705 602172437 /nfs/dbraw/zinc/17/24/37/602172437.db2.gz JORNGJGUMODWMZ-MRXNPFEDSA-N -1 0 347.798 3.603 20 0 EHADRM C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)[C@@H](C)CC(=O)[O-] ZINC000827240533 602174844 /nfs/dbraw/zinc/17/48/44/602174844.db2.gz MANRHHILHCTODL-LSDHHAIUSA-N -1 0 325.408 3.984 20 0 EHADRM C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccccc1NC(=O)[O-] ZINC000739047287 602175046 /nfs/dbraw/zinc/17/50/46/602175046.db2.gz PYOMTUVMLWFGBF-GFCCVEGCSA-N -1 0 340.379 3.671 20 0 EHADRM Cn1c(Cl)c(Cl)cc1C(=O)Nc1ccccc1NC(=O)[O-] ZINC000740277195 602175171 /nfs/dbraw/zinc/17/51/71/602175171.db2.gz FIVILZOYDAJTFS-UHFFFAOYSA-N -1 0 328.155 3.674 20 0 EHADRM Cc1cccc(OCCCC(=O)Nc2ccccc2NC(=O)[O-])c1 ZINC000740174306 602178750 /nfs/dbraw/zinc/17/87/50/602178750.db2.gz SKAIUDOQSGPTMR-UHFFFAOYSA-N -1 0 328.368 3.883 20 0 EHADRM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000191349306 602184778 /nfs/dbraw/zinc/18/47/78/602184778.db2.gz KEIDGYLRNNPEAO-SSDOTTSWSA-N -1 0 343.763 3.645 20 0 EHADRM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000581921321 602187233 /nfs/dbraw/zinc/18/72/33/602187233.db2.gz KSYDSSCVXZDODT-ZBFHGGJFSA-N -1 0 345.420 3.861 20 0 EHADRM Cc1ccc([C@H]2OCCC[C@H]2C(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000581921318 602187377 /nfs/dbraw/zinc/18/73/77/602187377.db2.gz KSYDSSCVXZDODT-GDBMZVCRSA-N -1 0 345.420 3.861 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)CCc2ccc(Cl)cc2)c1 ZINC000740676014 602202203 /nfs/dbraw/zinc/20/22/03/602202203.db2.gz KPBOEKFECMOCDB-UHFFFAOYSA-N -1 0 332.787 3.679 20 0 EHADRM C[C@H](OC(=O)c1ccc(NC(=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000736692798 602213765 /nfs/dbraw/zinc/21/37/65/602213765.db2.gz XHIFWKPNPFKULJ-JTQLQIEISA-N -1 0 325.324 3.571 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000826103738 602235461 /nfs/dbraw/zinc/23/54/61/602235461.db2.gz VWDKDFIHUXOGGA-HNNXBMFYSA-N -1 0 330.359 3.799 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)c3cc(Cl)ccc3F)ccc21 ZINC000740469491 602242429 /nfs/dbraw/zinc/24/24/29/602242429.db2.gz GGCHWLAGAPOADM-UHFFFAOYSA-N -1 0 334.734 3.772 20 0 EHADRM O=C([O-])N1CCN(C(=O)c2cc(Cl)ccc2F)c2ccccc2C1 ZINC000740526871 602244943 /nfs/dbraw/zinc/24/49/43/602244943.db2.gz SXKWJAZCFVEKIC-UHFFFAOYSA-N -1 0 348.761 3.620 20 0 EHADRM CC(C)N(CCC(=O)Nc1scnc1-c1ccccc1)C(=O)[O-] ZINC000738844296 602251185 /nfs/dbraw/zinc/25/11/85/602251185.db2.gz LDNRNQXVCVVRHJ-UHFFFAOYSA-N -1 0 333.413 3.527 20 0 EHADRM CCc1sc(C(=O)Nc2cccc(OCCNC(=O)[O-])c2)cc1C ZINC000739558921 602276150 /nfs/dbraw/zinc/27/61/50/602276150.db2.gz CFKFSVGSWCMBMO-UHFFFAOYSA-N -1 0 348.424 3.518 20 0 EHADRM O=C([O-])Nc1cc2ccccc2cc1C(=O)OCc1cscn1 ZINC000740695951 602284984 /nfs/dbraw/zinc/28/49/84/602284984.db2.gz UWDCPFCMVSWLTE-UHFFFAOYSA-N -1 0 328.349 3.743 20 0 EHADRM Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)[C@H](C)NC(=O)[O-] ZINC000740047679 602292371 /nfs/dbraw/zinc/29/23/71/602292371.db2.gz GCQGWXFUEZAGMK-NSHDSACASA-N -1 0 332.787 3.910 20 0 EHADRM CC(C)COc1ncccc1C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000738832368 602292708 /nfs/dbraw/zinc/29/27/08/602292708.db2.gz CQDGYFMBYNJJRD-UHFFFAOYSA-N -1 0 347.346 3.598 20 0 EHADRM CCC[C@@H](NC(=O)CNc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000829223085 602301892 /nfs/dbraw/zinc/30/18/92/602301892.db2.gz KZFSMHPQCOURTR-QGZVFWFLSA-N -1 0 344.386 3.593 20 0 EHADRM C[C@@H]1CC[C@@H](CC(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)C1 ZINC000828220755 602303693 /nfs/dbraw/zinc/30/36/93/602303693.db2.gz DGHFLYPXPKMFOD-CHWSQXEVSA-N -1 0 340.423 3.577 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2cc(-c3ccc(F)cc3)on2)c1 ZINC000238157335 602309353 /nfs/dbraw/zinc/30/93/53/602309353.db2.gz CTNJWRHVHVWWCB-UHFFFAOYSA-N -1 0 344.273 3.570 20 0 EHADRM Cc1cc(C(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)ccc1Cl ZINC000832861107 602318077 /nfs/dbraw/zinc/31/80/77/602318077.db2.gz VWAAGQGEZDFIIG-UHFFFAOYSA-N -1 0 336.800 3.612 20 0 EHADRM CC[C@H](Cc1ccccc1)N(CC)C(=O)c1ccc(C(=O)[O-])s1 ZINC000262096329 602328892 /nfs/dbraw/zinc/32/88/92/602328892.db2.gz ILPKDCKJOBBRCX-CQSZACIVSA-N -1 0 331.437 3.930 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000237026143 602328913 /nfs/dbraw/zinc/32/89/13/602328913.db2.gz FTKCKMKGGUOOHH-SFHVURJKSA-N -1 0 325.408 3.868 20 0 EHADRM C[C@H](NC(=O)C1CCC(NC(=O)[O-])CC1)c1ccc2c(c1)CCCC2 ZINC000738954909 602346784 /nfs/dbraw/zinc/34/67/84/602346784.db2.gz PDBJZUZNUSOSRS-UQHVZDHRSA-N -1 0 344.455 3.569 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)N(Cc2ccccc2)CC(F)F)cc1 ZINC000833266494 602353370 /nfs/dbraw/zinc/35/33/70/602353370.db2.gz OAQIFEBFOYJORO-UHFFFAOYSA-N -1 0 348.349 3.613 20 0 EHADRM C[C@H](NC(=O)Nc1cc(C(=O)[O-])n(C)c1)c1ccc2ccccc2c1 ZINC000827671933 602354348 /nfs/dbraw/zinc/35/43/48/602354348.db2.gz OBMDSFREBIXOFP-LBPRGKRZSA-N -1 0 337.379 3.759 20 0 EHADRM Cn1cc(NC(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cc1C(=O)[O-] ZINC000833049379 602355271 /nfs/dbraw/zinc/35/52/71/602355271.db2.gz UIFCBEBTNGBFTD-HNNXBMFYSA-N -1 0 347.802 3.650 20 0 EHADRM C[C@@H](NC(=O)Nc1cc(C(=O)[O-])n(C)c1)c1cc2ccccc2s1 ZINC000827671035 602359136 /nfs/dbraw/zinc/35/91/36/602359136.db2.gz BKTZSFKJFAHLHP-SNVBAGLBSA-N -1 0 343.408 3.821 20 0 EHADRM Cn1cc(NC(=O)N2CCC[C@H]2c2ccccc2Cl)cc1C(=O)[O-] ZINC000833048565 602360655 /nfs/dbraw/zinc/36/06/55/602360655.db2.gz KRVZNKKBQSBSGJ-AWEZNQCLSA-N -1 0 347.802 3.746 20 0 EHADRM Cc1ccc(C)c(OCCC(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000392428342 602361809 /nfs/dbraw/zinc/36/18/09/602361809.db2.gz MMXJAOYSRJVBBY-UHFFFAOYSA-N -1 0 331.343 3.548 20 0 EHADRM CCCN(C(=O)Nc1cc(C(=O)[O-])n(C)c1)[C@H]1CCc2ccccc21 ZINC000829453246 602363939 /nfs/dbraw/zinc/36/39/39/602363939.db2.gz QULCYSOBADSGSS-INIZCTEOSA-N -1 0 341.411 3.655 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000828182929 602374419 /nfs/dbraw/zinc/37/44/19/602374419.db2.gz AKLHGCUUGRGRNW-OCCSQVGLSA-N -1 0 342.370 3.934 20 0 EHADRM COc1ccc([C@@H](C)N(C)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000832221059 602378638 /nfs/dbraw/zinc/37/86/38/602378638.db2.gz ROAZUMOAPMTHIS-LLVKDONJSA-N -1 0 346.358 3.757 20 0 EHADRM O=C([O-])NC1CCC(C(=O)NC2CCC(c3ccccc3)CC2)CC1 ZINC000740554390 602384576 /nfs/dbraw/zinc/38/45/76/602384576.db2.gz XASNCRWTHJTUGQ-UHFFFAOYSA-N -1 0 344.455 3.655 20 0 EHADRM CC(C)(NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1cccc(F)c1 ZINC000826621413 602385203 /nfs/dbraw/zinc/38/52/03/602385203.db2.gz PQFOEMUOMSTOMW-UHFFFAOYSA-N -1 0 334.322 3.720 20 0 EHADRM Cc1ccc(C)c([C@H]2CCCN2C(=O)NCCCCCC(=O)[O-])c1 ZINC000414626146 602396834 /nfs/dbraw/zinc/39/68/34/602396834.db2.gz LEZSQZCZPMFRBL-QGZVFWFLSA-N -1 0 332.444 3.795 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)Cc1ccc(C)cc1Cl ZINC000832523085 602397010 /nfs/dbraw/zinc/39/70/10/602397010.db2.gz GGVMWCUBKMDAEK-UHFFFAOYSA-N -1 0 334.755 3.503 20 0 EHADRM O=C([O-])CN(C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)C1CCCC1 ZINC000833241534 602400937 /nfs/dbraw/zinc/40/09/37/602400937.db2.gz GSRDENZYRSIQRX-OALUTQOASA-N -1 0 337.419 3.799 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(CCc2ccc(Cl)s2)n1 ZINC000738825258 602407729 /nfs/dbraw/zinc/40/77/29/602407729.db2.gz WDUZYCWQDLKWOW-SNVBAGLBSA-N -1 0 343.836 3.925 20 0 EHADRM Cc1cccc(O[C@H](C)c2nc([C@H](CC(C)C)NC(=O)[O-])no2)c1 ZINC000740171963 602408154 /nfs/dbraw/zinc/40/81/54/602408154.db2.gz QLOWXIJRTQYHBU-OCCSQVGLSA-N -1 0 333.388 3.873 20 0 EHADRM COc1ccccc1[C@H](C)Cc1nc([C@@H](CC(C)C)NC(=O)[O-])no1 ZINC000739960926 602410006 /nfs/dbraw/zinc/41/00/06/602410006.db2.gz QYHFAMKECFSLPN-TZMCWYRMSA-N -1 0 347.415 3.779 20 0 EHADRM O=C([O-])NC1(c2noc(-c3cc4ccc(Cl)cc4[nH]3)n2)CCCC1 ZINC000740548155 602413695 /nfs/dbraw/zinc/41/36/95/602413695.db2.gz NXENRHQTQHRLKE-UHFFFAOYSA-N -1 0 346.774 3.908 20 0 EHADRM O=C([O-])NC1(c2noc(CCc3ccc(Cl)cc3)n2)CCCC1 ZINC000740549858 602413853 /nfs/dbraw/zinc/41/38/53/602413853.db2.gz JDZTYKZCMBLCMW-UHFFFAOYSA-N -1 0 335.791 3.545 20 0 EHADRM O=C([O-])NC1(c2noc(Cc3ccc4ccccc4c3)n2)CCCC1 ZINC000740548558 602414355 /nfs/dbraw/zinc/41/43/55/602414355.db2.gz JAYRORAQBPZZGX-UHFFFAOYSA-N -1 0 337.379 3.851 20 0 EHADRM O=C([O-])NC1(c2noc(-c3cc(F)c(Cl)cc3Cl)n2)CCC1 ZINC000740547299 602418487 /nfs/dbraw/zinc/41/84/87/602418487.db2.gz CUXLZKTXMVSLFM-UHFFFAOYSA-N -1 0 346.145 3.829 20 0 EHADRM CC(C)c1ccc([C@@H](CNC(=O)N(C)[C@@H](C)C2CC2)NC(=O)[O-])cc1 ZINC000738875425 602425174 /nfs/dbraw/zinc/42/51/74/602425174.db2.gz GPAJTEHCQJKCNX-SUMWQHHRSA-N -1 0 347.459 3.559 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=S)Nc3ccccc3)ccc21 ZINC000740523010 602431764 /nfs/dbraw/zinc/43/17/64/602431764.db2.gz BXDALDGEOLJOHL-UHFFFAOYSA-N -1 0 327.409 3.926 20 0 EHADRM O=C([O-])N1CCN(C(=O)c2cccc(C(F)F)c2)c2ccccc2C1 ZINC000740526916 602433723 /nfs/dbraw/zinc/43/37/23/602433723.db2.gz XBDPDTDBSZAMEH-UHFFFAOYSA-N -1 0 346.333 3.765 20 0 EHADRM CC[C@@H](CNC(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccccc1 ZINC000739257692 602451499 /nfs/dbraw/zinc/45/14/99/602451499.db2.gz KIXPUBOMGVFJLZ-HNNXBMFYSA-N -1 0 341.411 3.770 20 0 EHADRM CN(Cc1ccc(F)cc1)C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000739709273 602454255 /nfs/dbraw/zinc/45/42/55/602454255.db2.gz FHEZPZMNKOJDNS-QGZVFWFLSA-N -1 0 344.386 3.573 20 0 EHADRM CN(Cc1ccccc1F)C(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000739708815 602454296 /nfs/dbraw/zinc/45/42/96/602454296.db2.gz AGZQPCOROHOXDC-KRWDZBQOSA-N -1 0 344.386 3.573 20 0 EHADRM Cc1ccc(CNC(=O)CC[C@H](NC(=O)[O-])c2ccccc2)cc1F ZINC000740125293 602456122 /nfs/dbraw/zinc/45/61/22/602456122.db2.gz BQAJQMISEYHULT-KRWDZBQOSA-N -1 0 344.386 3.539 20 0 EHADRM C[C@@H](Cc1cccs1)NC(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000738949337 602457834 /nfs/dbraw/zinc/45/78/34/602457834.db2.gz NIMSXCPOHAYEFC-XJKSGUPXSA-N -1 0 346.452 3.584 20 0 EHADRM CCN(Cc1ccccc1NC(=O)c1cccc2ncccc21)C(=O)[O-] ZINC000739444790 602460075 /nfs/dbraw/zinc/46/00/75/602460075.db2.gz YEACVLOEWWJYOY-UHFFFAOYSA-N -1 0 349.390 3.987 20 0 EHADRM COc1ccc2c(c1)CCCN2C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739936359 602482575 /nfs/dbraw/zinc/48/25/75/602482575.db2.gz CHBNUMIKZKNJDL-UHFFFAOYSA-N -1 0 344.342 3.517 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N[C@H](c2cccs2)C2CC2)ccc1F ZINC000740696164 602482985 /nfs/dbraw/zinc/48/29/85/602482985.db2.gz OXMDYBXWUJLKES-AWEZNQCLSA-N -1 0 334.372 3.858 20 0 EHADRM CCOc1cc(C)ccc1NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739495666 602485496 /nfs/dbraw/zinc/48/54/96/602485496.db2.gz YDNIFPAXRVLOOW-UHFFFAOYSA-N -1 0 332.331 3.875 20 0 EHADRM COc1cc(NC(=O)c2sccc2SC)ccc1NC(=O)[O-] ZINC000739869120 602485533 /nfs/dbraw/zinc/48/55/33/602485533.db2.gz KSGHWUOQGUOOFE-UHFFFAOYSA-N -1 0 338.410 3.821 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2ccc(-c3cnco3)cc2)ccc1F ZINC000740698073 602485845 /nfs/dbraw/zinc/48/58/45/602485845.db2.gz LIFGPBPFHPGWJY-UHFFFAOYSA-N -1 0 341.298 3.823 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N[C@@H]2CCc3c2cccc3Cl)ccc1F ZINC000740694816 602486438 /nfs/dbraw/zinc/48/64/38/602486438.db2.gz AMKHNYBXXKEIQB-CQSZACIVSA-N -1 0 348.761 3.986 20 0 EHADRM O=C([O-])N1CCc2ccc(NC(=O)c3ccc(Cl)s3)cc2C1 ZINC000740465373 602488156 /nfs/dbraw/zinc/48/81/56/602488156.db2.gz HCAQBDSAPSEUIO-UHFFFAOYSA-N -1 0 336.800 3.690 20 0 EHADRM CCC[C@H](NC(=O)c1ccc(F)c(NC(=O)[O-])c1)c1ccccn1 ZINC000739327530 602488300 /nfs/dbraw/zinc/48/83/00/602488300.db2.gz FYOKZHWQLYAXFL-AWEZNQCLSA-N -1 0 331.347 3.582 20 0 EHADRM Cc1cc(C)cc([C@H](C)NC(=O)Cc2ccc(NC(=O)[O-])cc2)c1 ZINC000740064373 602489317 /nfs/dbraw/zinc/48/93/17/602489317.db2.gz RUYJIWLECAANOA-AWEZNQCLSA-N -1 0 326.396 3.813 20 0 EHADRM CC(C)(C(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccccc1F ZINC000738661937 602513962 /nfs/dbraw/zinc/51/39/62/602513962.db2.gz MIVDZQIRSPMHKL-UHFFFAOYSA-N -1 0 330.359 3.510 20 0 EHADRM O=C([O-])N[C@H](C(=O)Nc1ccnc(-c2ccccc2)c1)c1ccccc1 ZINC000740691397 602542953 /nfs/dbraw/zinc/54/29/53/602542953.db2.gz VQQSGDLABHKXEF-SFHVURJKSA-N -1 0 347.374 3.696 20 0 EHADRM CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000737795278 602562881 /nfs/dbraw/zinc/56/28/81/602562881.db2.gz GGMQBEPQDSPHBK-CQSZACIVSA-N -1 0 330.409 3.988 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@H]([C@@H]3CCCN3C(=O)[O-])C2)c(C)c1 ZINC000740141809 602579755 /nfs/dbraw/zinc/57/97/55/602579755.db2.gz RTIXYOFOFVNSGU-RDJZCZTQSA-N -1 0 345.443 3.690 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)c(C)c1 ZINC000740141808 602579915 /nfs/dbraw/zinc/57/99/15/602579915.db2.gz RTIXYOFOFVNSGU-NVXWUHKLSA-N -1 0 345.443 3.690 20 0 EHADRM O=C([O-])NC1CCN(C(=O)Nc2cccc(-c3cccs3)c2)CC1 ZINC000740590718 602595575 /nfs/dbraw/zinc/59/55/75/602595575.db2.gz ULLRHARTWYWXLW-UHFFFAOYSA-N -1 0 345.424 3.679 20 0 EHADRM O=C([O-])N1CCc2ccc(NC(=O)N3CCC[C@H]3C3CCC3)cc2C1 ZINC000740528994 602608850 /nfs/dbraw/zinc/60/88/50/602608850.db2.gz FUIHXILZVGRGLC-KRWDZBQOSA-N -1 0 343.427 3.519 20 0 EHADRM Cc1c2ccccc2oc1[C@H](NC(=O)CCCNC(=O)[O-])C(C)C ZINC000738289189 602689775 /nfs/dbraw/zinc/68/97/75/602689775.db2.gz MKSUVCLETQDHAR-MRXNPFEDSA-N -1 0 332.400 3.602 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)c1ccc(CNC(=O)[O-])cc1)C1CC1 ZINC000740180243 602705756 /nfs/dbraw/zinc/70/57/56/602705756.db2.gz DIVSYEUZKWBUFF-SFHVURJKSA-N -1 0 338.407 3.644 20 0 EHADRM O=C([O-])N1CC[C@@H](CCNC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000740427988 602722118 /nfs/dbraw/zinc/72/21/18/602722118.db2.gz NUJUNPOMZOPOQO-SECBINFHSA-N -1 0 346.214 3.505 20 0 EHADRM Cc1csc(C2(NC(=O)c3ccc(NC(=O)[O-])cc3)CCCC2)n1 ZINC000738336504 602732520 /nfs/dbraw/zinc/73/25/20/602732520.db2.gz HMSRFTVUUMQKNG-UHFFFAOYSA-N -1 0 345.424 3.741 20 0 EHADRM O=C([O-])Nc1ccc(C(F)(F)F)cc1NC(=O)C1CCSCC1 ZINC000740701775 602732553 /nfs/dbraw/zinc/73/25/53/602732553.db2.gz KMJZKWLAQYQZML-UHFFFAOYSA-N -1 0 348.346 3.877 20 0 EHADRM Cc1nc2c(s1)[C@@H](OC(=O)Cc1ccc(NC(=O)[O-])cc1)CCC2 ZINC000740231795 602749038 /nfs/dbraw/zinc/74/90/38/602749038.db2.gz ABGQUZBQUPPONW-AWEZNQCLSA-N -1 0 346.408 3.705 20 0 EHADRM CC[C@H](c1ccccc1)N(CC)C(=O)c1ccc(CNC(=O)[O-])o1 ZINC000826638906 602762190 /nfs/dbraw/zinc/76/21/90/602762190.db2.gz JAGJKLNIGBPUGW-OAHLLOKOSA-N -1 0 330.384 3.661 20 0 EHADRM C[C@H](CC(=O)N(Cc1ccccc1)[C@H](C)c1ccccc1)NC(=O)[O-] ZINC000824565780 602762308 /nfs/dbraw/zinc/76/23/08/602762308.db2.gz RKVOVMZFQKSZEN-HZPDHXFCSA-N -1 0 340.423 3.823 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)Nc1cccc(CN(CC)C(=O)[O-])c1 ZINC000739276227 602775887 /nfs/dbraw/zinc/77/58/87/602775887.db2.gz DMXUQUGAVAQKLA-QGZVFWFLSA-N -1 0 348.443 3.863 20 0 EHADRM Cc1[nH]c2c(cc(C)cc2CNC(=O)CCC(C)(C)NC(=O)[O-])c1C ZINC000740074254 602797687 /nfs/dbraw/zinc/79/76/87/602797687.db2.gz WDKJSDBWICHDSW-UHFFFAOYSA-N -1 0 345.443 3.536 20 0 EHADRM O=C([O-])NC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)cc1Cl ZINC000740630600 602804734 /nfs/dbraw/zinc/80/47/34/602804734.db2.gz LJYRIIHPQBEYLQ-RNCFNFMXSA-N -1 0 345.226 3.550 20 0 EHADRM CC[C@@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2)c2ccccc2O1 ZINC000736938396 602813103 /nfs/dbraw/zinc/81/31/03/602813103.db2.gz KOBJDRCNHTVOCV-CQSZACIVSA-N -1 0 326.352 3.594 20 0 EHADRM C[C@H]1c2c(F)cccc2CCN1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736838889 602816253 /nfs/dbraw/zinc/81/62/53/602816253.db2.gz WHFLULPHWIOIOW-NSHDSACASA-N -1 0 328.343 3.675 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N2CCC(N(C)C(=O)[O-])CC2)cc1 ZINC000737651869 602834235 /nfs/dbraw/zinc/83/42/35/602834235.db2.gz STZJDCHNRJCHGA-OAHLLOKOSA-N -1 0 346.471 3.904 20 0 EHADRM Cc1ccc(C(=O)NC(C)(C)c2ccc(F)cc2)cc1NC(=O)[O-] ZINC000830206235 602847567 /nfs/dbraw/zinc/84/75/67/602847567.db2.gz YHAPNEKTNHXVJG-UHFFFAOYSA-N -1 0 330.359 3.889 20 0 EHADRM CC(C)(C)[C@H]1CCCN(C(=O)c2ccc(NC(=O)[O-])cc2O)CC1 ZINC000738674400 602866417 /nfs/dbraw/zinc/86/64/17/602866417.db2.gz DOQBBDOJFIJRBZ-LBPRGKRZSA-N -1 0 334.416 3.771 20 0 EHADRM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)Nc1cccc(Cl)c1C ZINC000739969126 602883063 /nfs/dbraw/zinc/88/30/63/602883063.db2.gz QEXLMNNKLPMFLA-OAHLLOKOSA-N -1 0 348.786 3.604 20 0 EHADRM COc1ccccc1[C@H](NC(=O)[O-])C(=O)Nc1ccc(C)c(Cl)c1 ZINC000739969744 602883128 /nfs/dbraw/zinc/88/31/28/602883128.db2.gz SPYLNBPPHJIYII-HNNXBMFYSA-N -1 0 348.786 3.604 20 0 EHADRM Cc1oc(-c2ccccc2)nc1COC(=O)CCC(C)(C)NC(=O)[O-] ZINC000740270088 602896549 /nfs/dbraw/zinc/89/65/49/602896549.db2.gz DEIVKGIRDMJFQD-UHFFFAOYSA-N -1 0 346.383 3.520 20 0 EHADRM C[C@H](OC(=O)c1ccc(NC(=O)[O-])cc1Cl)C(=O)c1ccccc1 ZINC000739044690 602904514 /nfs/dbraw/zinc/90/45/14/602904514.db2.gz ZDKMSEGRWLECRE-JTQLQIEISA-N -1 0 347.754 3.858 20 0 EHADRM CCN(C(=O)c1ccc(C)c(NC(=O)[O-])c1)[C@H](C)c1cccnc1 ZINC000826983171 602945816 /nfs/dbraw/zinc/94/58/16/602945816.db2.gz FSZLLHPJZUCHOB-CYBMUJFWSA-N -1 0 327.384 3.703 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)cc1 ZINC000738666287 602958067 /nfs/dbraw/zinc/95/80/67/602958067.db2.gz DPGPTKYMOGANGL-OCCSQVGLSA-N -1 0 333.290 3.764 20 0 EHADRM CN(CCCC(=O)N[C@H](Cc1ccccc1)c1cccs1)C(=O)[O-] ZINC000737421346 602961568 /nfs/dbraw/zinc/96/15/68/602961568.db2.gz GFRBWWBSJAGWMF-OAHLLOKOSA-N -1 0 346.452 3.538 20 0 EHADRM CCCOc1ccc(NC(=O)CC(C)(C)NC(=O)[O-])cc1Cl ZINC000739364747 602963946 /nfs/dbraw/zinc/96/39/46/602963946.db2.gz PUPJXSLRZZNMHN-UHFFFAOYSA-N -1 0 328.796 3.504 20 0 EHADRM CCOc1ccc(N(C)C(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1 ZINC000827435039 602976841 /nfs/dbraw/zinc/97/68/41/602976841.db2.gz XRIMXBRIQPVBCU-UHFFFAOYSA-N -1 0 328.368 3.760 20 0 EHADRM CCCCCC[C@](C)(CC)C(=O)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000826820642 602978982 /nfs/dbraw/zinc/97/89/82/602978982.db2.gz NWVQQIYEFXBCHS-RKVPGOIHSA-N -1 0 326.481 3.878 20 0 EHADRM Cc1cc(OCc2ccccc2)ccc1NC(=O)C(C)(C)NC(=O)[O-] ZINC000738474066 602982245 /nfs/dbraw/zinc/98/22/45/602982245.db2.gz IVSMXPXXCUMMMZ-UHFFFAOYSA-N -1 0 342.395 3.559 20 0 EHADRM C[C@H]1C[C@H](CC(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])CC(C)(C)C1 ZINC000739079914 603003272 /nfs/dbraw/zinc/00/32/72/603003272.db2.gz AIXANHUQXJBIEI-BLNMRFBMSA-N -1 0 336.476 3.629 20 0 EHADRM C[C@H]1C[C@@H](CC(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])CC(C)(C)C1 ZINC000739079920 603003488 /nfs/dbraw/zinc/00/34/88/603003488.db2.gz AIXANHUQXJBIEI-MGLUKCQKSA-N -1 0 336.476 3.629 20 0 EHADRM O=C([O-])NC1(c2noc(-c3cc4ccc(F)cc4s3)n2)CCC1 ZINC000740548087 603004557 /nfs/dbraw/zinc/00/45/57/603004557.db2.gz LAAAWRONYFJMAE-UHFFFAOYSA-N -1 0 333.344 3.737 20 0 EHADRM CCN(C(=O)CC[C@H](NC(=O)[O-])c1ccccc1)c1nc(C)cs1 ZINC000739381178 603007476 /nfs/dbraw/zinc/00/74/76/603007476.db2.gz OAKYWGXOIAFZJN-AWEZNQCLSA-N -1 0 347.440 3.594 20 0 EHADRM Cc1ccc(C(=O)NC[C@H](C)Oc2ccccc2C)cc1NC(=O)[O-] ZINC000830211257 603014482 /nfs/dbraw/zinc/01/44/82/603014482.db2.gz LCYOFTCSPZFQHW-AWEZNQCLSA-N -1 0 342.395 3.591 20 0 EHADRM CC(C)c1ccc(OCCc2nc([C@H](C)CN(C)C(=O)[O-])no2)cc1 ZINC000738875442 603015458 /nfs/dbraw/zinc/01/54/58/603015458.db2.gz INFUNWOWJMJLLC-CYBMUJFWSA-N -1 0 347.415 3.528 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)Nc2cc(NC(=O)[O-])ccc2F)o1 ZINC000739089337 603039289 /nfs/dbraw/zinc/03/92/89/603039289.db2.gz JWVJGXAWXVTGJY-SKDRFNHKSA-N -1 0 347.346 3.954 20 0 EHADRM COc1cccc(SCC(=O)Oc2ccc(N(C)C(=O)[O-])cc2)c1 ZINC000829576339 603043665 /nfs/dbraw/zinc/04/36/65/603043665.db2.gz QEGARNIWYBWLLI-UHFFFAOYSA-N -1 0 347.392 3.507 20 0 EHADRM CC(C)(CNC(=O)Cc1ccc(NC(=O)[O-])cc1)c1cccc(F)c1 ZINC000738750949 603054085 /nfs/dbraw/zinc/05/40/85/603054085.db2.gz RNGAQKHRANCHJE-UHFFFAOYSA-N -1 0 344.386 3.552 20 0 EHADRM Cc1cc(Cl)ccc1NC(=O)[C@@H](CNC(=O)[O-])c1ccccc1 ZINC000740075803 603078451 /nfs/dbraw/zinc/07/84/51/603078451.db2.gz QHBRMXUHQXUOGV-AWEZNQCLSA-N -1 0 332.787 3.638 20 0 EHADRM CC(C)(CCC(=O)Nc1cccc(CC(F)(F)F)c1)NC(=O)[O-] ZINC000823890578 603081133 /nfs/dbraw/zinc/08/11/33/603081133.db2.gz UVHIACYDCSKKRK-UHFFFAOYSA-N -1 0 332.322 3.556 20 0 EHADRM Cc1cc(NC(=O)CC2CCN(C(=O)[O-])CC2)c2cccnc2c1C ZINC000830103796 603081884 /nfs/dbraw/zinc/08/18/84/603081884.db2.gz NGLPXAZOMBXZCW-UHFFFAOYSA-N -1 0 341.411 3.570 20 0 EHADRM O=C([O-])NC1CCC(NC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000740555255 603090775 /nfs/dbraw/zinc/09/07/75/603090775.db2.gz IOPUGENYOTWANO-UHFFFAOYSA-N -1 0 346.214 3.694 20 0 EHADRM CC(C)C[C@H](NC(=O)NC1CCC(NC(=O)[O-])CC1)c1ccccc1 ZINC000738805338 603101520 /nfs/dbraw/zinc/10/15/20/603101520.db2.gz AABJLGPDHHUCGC-JCYILVPMSA-N -1 0 347.459 3.652 20 0 EHADRM CC[C@H]1c2ccccc2CCN1C(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000739280180 603102939 /nfs/dbraw/zinc/10/29/39/603102939.db2.gz QTZHHOQBGDLYSK-SFHVURJKSA-N -1 0 338.407 3.855 20 0 EHADRM CCN(C(=O)CNc1ccc([C@H](C)NC(=O)[O-])cc1)C1CCCCC1 ZINC000739382776 603103943 /nfs/dbraw/zinc/10/39/43/603103943.db2.gz VAMCTYHQRYUTLE-AWEZNQCLSA-N -1 0 347.459 3.608 20 0 EHADRM CCOc1ccc(C(C)=O)cc1COc1ccc(NC(=O)[O-])cc1 ZINC000737887906 603154190 /nfs/dbraw/zinc/15/41/90/603154190.db2.gz YMUJOSSUQMHGJK-UHFFFAOYSA-N -1 0 329.352 3.957 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1 ZINC000825618027 603157299 /nfs/dbraw/zinc/15/72/99/603157299.db2.gz UMDADRDSEFRUEF-JTQLQIEISA-N -1 0 334.759 3.836 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739056083 603164623 /nfs/dbraw/zinc/16/46/23/603164623.db2.gz ZNTMKWCAUGXGFJ-KYOSRNDESA-N -1 0 338.835 3.686 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739060387 603165242 /nfs/dbraw/zinc/16/52/42/603165242.db2.gz UHNLEBDGOBKSFV-JHJVBQTASA-N -1 0 338.835 3.686 20 0 EHADRM CCN(Cc1ccccc1Cl)C(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739443291 603165972 /nfs/dbraw/zinc/16/59/72/603165972.db2.gz JBFLLQHHLXOZEV-GXTWGEPZSA-N -1 0 338.835 3.515 20 0 EHADRM COc1cc(CC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)ccc1C ZINC000829110135 603171922 /nfs/dbraw/zinc/17/19/22/603171922.db2.gz RZZYTFYJMLNWLU-CYBMUJFWSA-N -1 0 342.395 3.513 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)[C@@H](C)Cc2ccccc2)cc1 ZINC000825023747 603172679 /nfs/dbraw/zinc/17/26/79/603172679.db2.gz NEBXHAZQGRWLRA-UONOGXRCSA-N -1 0 326.396 3.833 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)CCc2ccc(F)cc2)cc1 ZINC000825417754 603174533 /nfs/dbraw/zinc/17/45/33/603174533.db2.gz QVMUYUNLESWJJY-GFCCVEGCSA-N -1 0 330.359 3.726 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)s1 ZINC000823632216 603178221 /nfs/dbraw/zinc/17/82/21/603178221.db2.gz BUGUTLWTUUDKQN-VIFPVBQESA-N -1 0 332.381 3.532 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2ccc3ncccc3c2)cc1 ZINC000825442696 603181024 /nfs/dbraw/zinc/18/10/24/603181024.db2.gz NEPIIPHZCCYNBB-LBPRGKRZSA-N -1 0 335.363 3.816 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)/C=C\c2cccc(F)c2)cc1 ZINC000825418819 603184538 /nfs/dbraw/zinc/18/45/38/603184538.db2.gz XXOXZAUABPYRPX-DUWGPSABSA-N -1 0 328.343 3.806 20 0 EHADRM Cc1noc(C(C)C)c1C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000830898344 603192547 /nfs/dbraw/zinc/19/25/47/603192547.db2.gz AGUNYWMMGQGQBS-JTQLQIEISA-N -1 0 331.372 3.687 20 0 EHADRM CO[C@@](C)(C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1)c1ccccc1 ZINC000828817847 603193748 /nfs/dbraw/zinc/19/37/48/603193748.db2.gz OMJOFYOEOUWTJR-ORAYPTAESA-N -1 0 342.395 3.516 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)Nc2cccc(SC(F)F)c2)C1 ZINC000740568484 603194320 /nfs/dbraw/zinc/19/43/20/603194320.db2.gz UIVNRZCPOCUYFH-ZJUUUORDSA-N -1 0 344.383 3.766 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)Nc2ccc(-c3ccccc3)cn2)C1 ZINC000740568463 603195574 /nfs/dbraw/zinc/19/55/74/603195574.db2.gz FSVWWNLPQYVBIP-GOEBONIOSA-N -1 0 339.395 3.514 20 0 EHADRM O=C([O-])N[C@H](CNc1ncccc1C(F)(F)F)c1ccccc1 ZINC000832140285 603202271 /nfs/dbraw/zinc/20/22/71/603202271.db2.gz IVURITWPVJRIIS-GFCCVEGCSA-N -1 0 325.290 3.521 20 0 EHADRM Cc1cccc(Oc2ccccc2NC(=O)[C@@H]2CCN(C(=O)[O-])C2)c1 ZINC000740174520 603203008 /nfs/dbraw/zinc/20/30/08/603203008.db2.gz UMJIWZYZBQZDIW-CQSZACIVSA-N -1 0 340.379 3.726 20 0 EHADRM CCO[C@@H]1C[C@@H](NC(=O)c2ccc(C)c(NC(=O)[O-])c2)C12CCCC2 ZINC000827381257 603211948 /nfs/dbraw/zinc/21/19/48/603211948.db2.gz QWCSPMVURYSITD-HZPDHXFCSA-N -1 0 346.427 3.553 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(CNC(=O)[O-])o1 ZINC000829292937 603222180 /nfs/dbraw/zinc/22/21/80/603222180.db2.gz IDGWSSQGJUFWLZ-UHFFFAOYSA-N -1 0 346.383 3.606 20 0 EHADRM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ccc(CNC(=O)[O-])o2)o1 ZINC000830282184 603230920 /nfs/dbraw/zinc/23/09/20/603230920.db2.gz OOPDXPCQFNTHKT-SMDDNHRTSA-N -1 0 346.383 3.562 20 0 EHADRM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)CCCN(C)C(=O)[O-])o1 ZINC000827585079 603232383 /nfs/dbraw/zinc/23/23/83/603232383.db2.gz ZGEAXKPTVQNMKA-UKRRQHHQSA-N -1 0 336.432 3.532 20 0 EHADRM C[C@H](CC(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1)NC(=O)[O-] ZINC000824605958 603233960 /nfs/dbraw/zinc/23/39/60/603233960.db2.gz MTRWJUDFIBDQTL-KGLIPLIRSA-N -1 0 326.396 3.577 20 0 EHADRM Cc1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1NC(=O)[O-] ZINC000830219771 603242688 /nfs/dbraw/zinc/24/26/88/603242688.db2.gz IPLAWLIOUMKODF-UHFFFAOYSA-N -1 0 348.786 3.547 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-] ZINC000823859411 603251561 /nfs/dbraw/zinc/25/15/61/603251561.db2.gz OLSBPLSECXCTNQ-JSGCOSHPSA-N -1 0 333.432 3.542 20 0 EHADRM CS[C@@H]1CCC[C@H](NC(=O)c2ccc(NC(=O)[O-])cc2Cl)C1 ZINC000740003391 603252333 /nfs/dbraw/zinc/25/23/33/603252333.db2.gz WOKSJQBIRYSVPE-GXSJLCMTSA-N -1 0 342.848 3.834 20 0 EHADRM CC(C)c1ccc([C@@H](CNC(=O)[C@H](C)c2ccco2)NC(=O)[O-])cc1 ZINC000738879937 603259160 /nfs/dbraw/zinc/25/91/60/603259160.db2.gz YDPBTZXASUWTPW-CZUORRHYSA-N -1 0 344.411 3.632 20 0 EHADRM O=C([O-])N[C@H](C(=O)Nc1ccc(F)c(F)c1)c1cccc(Cl)c1 ZINC000740533575 603263352 /nfs/dbraw/zinc/26/33/52/603263352.db2.gz QNORURGYIYRUDO-ZDUSSCGKSA-N -1 0 340.713 3.566 20 0 EHADRM CCN(C(=O)Nc1cccc2c1CCN(C(=O)[O-])C2)[C@H](C)C(C)C ZINC000739380666 603295401 /nfs/dbraw/zinc/29/54/01/603295401.db2.gz KHZVHENMWBYBHU-CYBMUJFWSA-N -1 0 333.432 3.621 20 0 EHADRM Cc1cccc(CN(C)C(=O)[C@@H](C)[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000830498003 603303185 /nfs/dbraw/zinc/30/31/85/603303185.db2.gz KLWRWEGOZFSKIC-MAUKXSAKSA-N -1 0 340.423 3.598 20 0 EHADRM C[C@H](NC(=O)[C@@H](NC(=O)[O-])c1cccc(Cl)c1)c1ccccc1 ZINC000738953929 603306429 /nfs/dbraw/zinc/30/64/29/603306429.db2.gz SVXPTMDPVSLBFC-NHYWBVRUSA-N -1 0 332.787 3.526 20 0 EHADRM C[C@H](C(=O)N1CC[C@@H]1c1ccccc1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823660374 603330857 /nfs/dbraw/zinc/33/08/57/603330857.db2.gz AEBXVYZAHMVJMR-QGTPRVQTSA-N -1 0 338.407 3.605 20 0 EHADRM CN(Cc1ccccc1NC(=O)N[C@H]1CCCc2occc21)C(=O)[O-] ZINC000739714261 603337606 /nfs/dbraw/zinc/33/76/06/603337606.db2.gz NOJYQNAAAJXTBW-HNNXBMFYSA-N -1 0 343.383 3.589 20 0 EHADRM CCC1CCC(NC(=O)Nc2ccccc2CN(C)C(=O)[O-])CC1 ZINC000739266912 603340645 /nfs/dbraw/zinc/34/06/45/603340645.db2.gz ODXPQAMIRLYCSX-UHFFFAOYSA-N -1 0 333.432 3.887 20 0 EHADRM Cc1ccc(C(=O)Nc2cccc(-n3ccnc3)c2)cc1NC(=O)[O-] ZINC000830234150 603348809 /nfs/dbraw/zinc/34/88/09/603348809.db2.gz OBBFRTXMLLOKAS-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM CCN(Cc1ccccc1NC(=O)NCc1ccc(C)s1)C(=O)[O-] ZINC000739442805 603354243 /nfs/dbraw/zinc/35/42/43/603354243.db2.gz LMZVTXHKCFPWNE-UHFFFAOYSA-N -1 0 347.440 3.878 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cccc(CN(C)C(=O)[O-])c2)c2ccccc21 ZINC000739145065 603358183 /nfs/dbraw/zinc/35/81/83/603358183.db2.gz KWJNKBPIXBZWDF-CYBMUJFWSA-N -1 0 339.395 3.952 20 0 EHADRM Cc1ccccc1CN(C)C(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000740184384 603359647 /nfs/dbraw/zinc/35/96/47/603359647.db2.gz QGNBWMSZZHWCCF-UHFFFAOYSA-N -1 0 341.411 3.769 20 0 EHADRM CN(Cc1cccc(NC(=O)N2CCC[C@@H]2C2CCC2)c1)C(=O)[O-] ZINC000739706886 603361677 /nfs/dbraw/zinc/36/16/77/603361677.db2.gz FNRPQDSNCIISGK-MRXNPFEDSA-N -1 0 331.416 3.593 20 0 EHADRM C[C@H](c1ccco1)N(C)C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000825421867 603363294 /nfs/dbraw/zinc/36/32/94/603363294.db2.gz COBRVNZXANKWJS-NWDGAFQWSA-N -1 0 331.372 3.833 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)NCc2ccc(F)c(F)c2)cc1 ZINC000825434920 603368211 /nfs/dbraw/zinc/36/82/11/603368211.db2.gz YROUEMNCLYNHCN-SNVBAGLBSA-N -1 0 349.337 3.615 20 0 EHADRM Cc1ccc(NC(=O)C[C@H](C)NC(=O)[O-])c(OCc2ccccc2)c1 ZINC000830364271 603371858 /nfs/dbraw/zinc/37/18/58/603371858.db2.gz PIILWBDXUMSHPI-AWEZNQCLSA-N -1 0 342.395 3.559 20 0 EHADRM COc1cc(C)ccc1NC(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000829100957 603373216 /nfs/dbraw/zinc/37/32/16/603373216.db2.gz BTLHRNBEHRHGPR-GUYCJALGSA-N -1 0 342.395 3.587 20 0 EHADRM CCSCC[C@H](C)NC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000827503763 603383337 /nfs/dbraw/zinc/38/33/37/603383337.db2.gz LZXOSSSAWFSXKV-NWDGAFQWSA-N -1 0 339.461 3.668 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)NCc2cc(F)ccc2F)cc1 ZINC000825434726 603384572 /nfs/dbraw/zinc/38/45/72/603384572.db2.gz XAQLVFOISMQBND-SNVBAGLBSA-N -1 0 349.337 3.615 20 0 EHADRM COc1ccc(NC(=O)[C@@H](C)c2cccc(F)c2)cc1NC(=O)[O-] ZINC000739916262 603394424 /nfs/dbraw/zinc/39/44/24/603394424.db2.gz MVCNULJLXOWAQL-JTQLQIEISA-N -1 0 332.331 3.666 20 0 EHADRM Cc1ccc(-c2nc(COc3ccccc3)no2)cc1NC(=O)[O-] ZINC000830161281 603409123 /nfs/dbraw/zinc/40/91/23/603409123.db2.gz XQIAJQBQQWTTKY-UHFFFAOYSA-N -1 0 325.324 3.714 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(-c2cccc(F)c2Cl)n1 ZINC000824216967 603413070 /nfs/dbraw/zinc/41/30/70/603413070.db2.gz AWEGKJZWQRPIPR-SNVBAGLBSA-N -1 0 327.743 3.884 20 0 EHADRM O=C([O-])NC1(c2noc([C@H]3C[C@@H]3c3cccc(F)c3F)n2)CCCC1 ZINC000832227081 603416324 /nfs/dbraw/zinc/41/63/24/603416324.db2.gz ATYORFFCGDENGV-MNOVXSKESA-N -1 0 349.337 3.656 20 0 EHADRM CC(C)(C)Oc1ccccc1NC(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000738726917 603420155 /nfs/dbraw/zinc/42/01/55/603420155.db2.gz XQILXKRQHUOLRJ-UHFFFAOYSA-N -1 0 342.395 3.884 20 0 EHADRM Cc1cc(CNC(=O)[O-])ccc1N(C(=O)[C@@H](C)c1ccco1)C1CC1 ZINC000740077430 603428823 /nfs/dbraw/zinc/42/88/23/603428823.db2.gz VJCYFQOMUQIRLQ-ZDUSSCGKSA-N -1 0 342.395 3.655 20 0 EHADRM CCc1ccc(CC(=O)N2CCCN(C(=O)[O-])c3ccccc32)cc1 ZINC000739544034 603431886 /nfs/dbraw/zinc/43/18/86/603431886.db2.gz QSMCEEBTUZMIJL-UHFFFAOYSA-N -1 0 338.407 3.713 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(C)C(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000739260820 603434732 /nfs/dbraw/zinc/43/47/32/603434732.db2.gz RMXVOVWQPDHTAS-SFHVURJKSA-N -1 0 340.423 3.799 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])c(F)c1 ZINC000830230987 603443272 /nfs/dbraw/zinc/44/32/72/603443272.db2.gz VRLBTZVHSFGOFG-UHFFFAOYSA-N -1 0 328.343 3.817 20 0 EHADRM C[C@@H](NC(=S)NCCc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000736660657 603461400 /nfs/dbraw/zinc/46/14/00/603461400.db2.gz NEQLATXLODRXOE-CYBMUJFWSA-N -1 0 343.452 3.544 20 0 EHADRM Cc1ccc(C)c(C(=O)CCC(=O)Oc2cccc(NC(=O)[O-])c2)c1 ZINC000830268796 603480626 /nfs/dbraw/zinc/48/06/26/603480626.db2.gz WJBFPOGSURRDIK-UHFFFAOYSA-N -1 0 341.363 3.962 20 0 EHADRM C[C@@H](C(=O)Nc1cc(Cl)ccc1O)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823713307 603508304 /nfs/dbraw/zinc/50/83/04/603508304.db2.gz NJVGOPHAMQVUIE-MEBBXXQBSA-N -1 0 348.786 3.629 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)C[C@@H](Cc2ccccc2)NC(=O)[O-])s1 ZINC000830250340 603510725 /nfs/dbraw/zinc/51/07/25/603510725.db2.gz AXUPEOQNYWAXQS-UKRRQHHQSA-N -1 0 346.452 3.503 20 0 EHADRM CSc1ccc(NC(=O)COc2cccc(NC(=O)[O-])c2)cc1 ZINC000829766470 603512353 /nfs/dbraw/zinc/51/23/53/603512353.db2.gz JCONCFMYDGLHCS-UHFFFAOYSA-N -1 0 332.381 3.516 20 0 EHADRM Cc1ccc(C(=O)N2CCSc3ccccc32)cc1NC(=O)[O-] ZINC000830197675 603527325 /nfs/dbraw/zinc/52/73/25/603527325.db2.gz AQMCZSTZBWIYNC-UHFFFAOYSA-N -1 0 328.393 3.837 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)Nc2ccc3nc(C4CC4)sc3c2)C1 ZINC000832284279 603532622 /nfs/dbraw/zinc/53/26/22/603532622.db2.gz BFSZPAPFAVCCCN-GHMZBOCLSA-N -1 0 345.424 3.549 20 0 EHADRM Cc1ccc([C@H](C)C(=O)N2CCCN(C(=O)[O-])c3ccccc32)o1 ZINC000830244580 603542484 /nfs/dbraw/zinc/54/24/84/603542484.db2.gz CSAUGZWZOJGZNF-ZDUSSCGKSA-N -1 0 328.368 3.613 20 0 EHADRM CCN(CC1CCN(C(=O)Nc2c(C)cc(C)cc2C)CC1)C(=O)[O-] ZINC000827075025 603578195 /nfs/dbraw/zinc/57/81/95/603578195.db2.gz MIBPLWXQUWDOHH-UHFFFAOYSA-N -1 0 347.459 3.856 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1)c1cc2ccccc2s1 ZINC000825083342 603579815 /nfs/dbraw/zinc/57/98/15/603579815.db2.gz PNNLQBGPVVVSNP-DRZSPHRISA-N -1 0 332.425 3.515 20 0 EHADRM COc1cc(NC(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)ccc1NC(=O)[O-] ZINC000829159208 603581259 /nfs/dbraw/zinc/58/12/59/603581259.db2.gz PHDLVRGCJYUICF-JMSVASOKSA-N -1 0 347.415 3.970 20 0 EHADRM CC(C)C[C@H]1CCN(C(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)C1 ZINC000824231105 603596442 /nfs/dbraw/zinc/59/64/42/603596442.db2.gz DJEGILAQUWNCEP-CQSZACIVSA-N -1 0 345.443 3.623 20 0 EHADRM Cc1c2c(sc1NC(=O)C1CCC(NC(=O)[O-])CC1)CCCC2 ZINC000829877515 603633989 /nfs/dbraw/zinc/63/39/89/603633989.db2.gz NJMBJUFZTYETJZ-UHFFFAOYSA-N -1 0 336.457 3.700 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)Nc2ccc(COC3CCCC3)cc2)C1 ZINC000832288558 603658561 /nfs/dbraw/zinc/65/85/61/603658561.db2.gz UNZNALPVNVYQTM-GOEBONIOSA-N -1 0 346.427 3.521 20 0 EHADRM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000825638226 603660968 /nfs/dbraw/zinc/66/09/68/603660968.db2.gz LHLFNYVPKIONOQ-FHLIZLRMSA-N -1 0 344.455 3.813 20 0 EHADRM CCCC[C@H](CCC)NC(=O)N(C)C1CCC(NC(=O)[O-])CC1 ZINC000826782012 603673354 /nfs/dbraw/zinc/67/33/54/603673354.db2.gz UHNKYBBNYQZGCO-NFOMZHRRSA-N -1 0 327.469 3.566 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000832832619 603785730 /nfs/dbraw/zinc/78/57/30/603785730.db2.gz ABKWBKWMYVIYKT-ZYHUDNBSSA-N -1 0 344.333 3.875 20 0 EHADRM CCc1ccc(CC)c(NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1 ZINC000827582886 603814415 /nfs/dbraw/zinc/81/44/15/603814415.db2.gz CBZDWUPGJMUYJJ-CVEARBPZSA-N -1 0 345.443 3.560 20 0 EHADRM Cc1ccc(-c2cnc(COC(=O)CCC(C)(C)NC(=O)[O-])o2)cc1 ZINC000830148625 603841042 /nfs/dbraw/zinc/84/10/42/603841042.db2.gz DDVQWSYARUACHX-UHFFFAOYSA-N -1 0 346.383 3.520 20 0 EHADRM O=C([O-])N1CCC(C(=O)Nc2cccc(CCC(F)(F)F)c2)CC1 ZINC000831784971 603928699 /nfs/dbraw/zinc/92/86/99/603928699.db2.gz ONJUTSZWJLGSJW-UHFFFAOYSA-N -1 0 344.333 3.510 20 0 EHADRM Cc1cccc(N(C)C(=O)C[C@@H](Cc2ccccc2)NC(=O)[O-])c1C ZINC000830504745 603953934 /nfs/dbraw/zinc/95/39/34/603953934.db2.gz AHOGMLACVQHALI-QGZVFWFLSA-N -1 0 340.423 3.535 20 0 EHADRM CCN(C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)c1cccc2ccccc21 ZINC000826970108 603961779 /nfs/dbraw/zinc/96/17/79/603961779.db2.gz NPAJHKOYLMXDSF-CABCVRRESA-N -1 0 326.396 3.629 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000824425376 603976891 /nfs/dbraw/zinc/97/68/91/603976891.db2.gz OYEQJEQFSUURFP-GOOCMWNKSA-N -1 0 346.427 3.723 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000824404730 603984094 /nfs/dbraw/zinc/98/40/94/603984094.db2.gz MADWDNNJONBIDL-WDEREUQCSA-N -1 0 340.807 3.502 20 0 EHADRM CCS[C@@H]1CCC[C@H]1NC(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000827504284 603987224 /nfs/dbraw/zinc/98/72/24/603987224.db2.gz SVXRMNHMHLVFLZ-UKRRQHHQSA-N -1 0 349.456 3.523 20 0 EHADRM CC(C)C[C@@H]1CCCCN1C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000824225026 604009956 /nfs/dbraw/zinc/00/99/56/604009956.db2.gz PEWRGJLILLRDRF-YNBOMUFVSA-N -1 0 336.476 3.725 20 0 EHADRM Cc1ccc(NC(=O)N2CCCC[C@H]2[C@@H]2CCCN2C(=O)[O-])s1 ZINC000830380932 604027648 /nfs/dbraw/zinc/02/76/48/604027648.db2.gz CMUQACGLPVGQRO-STQMWFEESA-N -1 0 337.445 3.585 20 0 EHADRM Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1cccc(NC(=O)[O-])c1 ZINC000830446630 604034008 /nfs/dbraw/zinc/03/40/08/604034008.db2.gz SDOHWDPNTGOXLS-GFCCVEGCSA-N -1 0 326.352 3.513 20 0 EHADRM COc1cc(NC(=O)/C=C/SCc2ccco2)ccc1NC(=O)[O-] ZINC000829154049 604042514 /nfs/dbraw/zinc/04/25/14/604042514.db2.gz TWQOIFGJVQIUEG-SOFGYWHQSA-N -1 0 348.380 3.764 20 0 EHADRM CCN(Cc1ccccc1NC(=O)c1cc(OC)cs1)C(=O)[O-] ZINC000827186776 604102402 /nfs/dbraw/zinc/10/24/02/604102402.db2.gz DXNKJBGZQXVGLW-UHFFFAOYSA-N -1 0 334.397 3.509 20 0 EHADRM Cc1c(Cl)cccc1NC(=O)N(C)C1CCC(NC(=O)[O-])CC1 ZINC000829867762 604120050 /nfs/dbraw/zinc/12/00/50/604120050.db2.gz SAUYKESYCMKQSC-UHFFFAOYSA-N -1 0 339.823 3.691 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)CC1(NC(=O)[O-])CCC1 ZINC000830261323 604204870 /nfs/dbraw/zinc/20/48/70/604204870.db2.gz BEONQDCMIYHDIO-UHFFFAOYSA-N -1 0 330.306 3.533 20 0 EHADRM C[C@@H]1CCC[C@@H](CC(=O)N2CCC(N(CC3CC3)C(=O)[O-])CC2)C1 ZINC000825887363 604241263 /nfs/dbraw/zinc/24/12/63/604241263.db2.gz KZNGVMXGCRDAJJ-GDBMZVCRSA-N -1 0 336.476 3.584 20 0 EHADRM C[C@@H](CC(=O)N1CCC(N(CC2CC2)C(=O)[O-])CC1)c1ccccc1 ZINC000824571729 604245571 /nfs/dbraw/zinc/24/55/71/604245571.db2.gz KCSLPMDKVSZXPC-HNNXBMFYSA-N -1 0 344.455 3.561 20 0 EHADRM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000825235025 604251771 /nfs/dbraw/zinc/25/17/71/604251771.db2.gz BDTFGWRQNQLMJS-UWVGGRQHSA-N -1 0 345.226 3.502 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)CC/C=C\c2ccccc2)cc1 ZINC000740016500 604254691 /nfs/dbraw/zinc/25/46/91/604254691.db2.gz HYMJLGDLUXLZFM-YWEYNIOJSA-N -1 0 338.407 3.929 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1ccc(C)c(C(F)(F)F)c1 ZINC000325468383 604269954 /nfs/dbraw/zinc/26/99/54/604269954.db2.gz FLBQBLYCOQCJMZ-UHFFFAOYSA-N -1 0 340.301 3.909 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=S)Nc2ccccc2)cc1 ZINC000825398262 604284964 /nfs/dbraw/zinc/28/49/64/604284964.db2.gz UZGXBBNCCZWXFS-GFCCVEGCSA-N -1 0 329.425 3.502 20 0 EHADRM CC(=O)c1cccc(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)c1 ZINC000825960585 604300488 /nfs/dbraw/zinc/30/04/88/604300488.db2.gz MUWCGMUUQCZPBU-UHFFFAOYSA-N -1 0 346.408 3.594 20 0 EHADRM CC1(C)C[C@@H](NC(=O)c2ccc(C(=O)[O-])s2)c2ccc(F)cc2O1 ZINC000262194413 604301465 /nfs/dbraw/zinc/30/14/65/604301465.db2.gz TXHOBOABSIUXQJ-LLVKDONJSA-N -1 0 349.383 3.618 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2c(F)cccc2N2CCCC2)cc1F ZINC000833150794 604304353 /nfs/dbraw/zinc/30/43/53/604304353.db2.gz PSPNUMJRFOTIAV-UHFFFAOYSA-N -1 0 346.333 3.516 20 0 EHADRM Cc1ccccc1NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000832979192 604306464 /nfs/dbraw/zinc/30/64/64/604306464.db2.gz WJRIVBJQRULHDM-INIZCTEOSA-N -1 0 326.396 3.969 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)Nc1c(F)cccc1F)c1ccccc1 ZINC000826102605 604307359 /nfs/dbraw/zinc/30/73/59/604307359.db2.gz CPPZCEGOPMNXLC-OAHLLOKOSA-N -1 0 348.349 3.938 20 0 EHADRM Cc1cc(C)c(NC(=O)C[C@@H](C)[C@@H]2CCCN(C(=O)[O-])C2)c(C)c1 ZINC000829990587 604314671 /nfs/dbraw/zinc/31/46/71/604314671.db2.gz BUBUOLWMWYQNPC-CZUORRHYSA-N -1 0 332.444 3.967 20 0 EHADRM Cn1c2ccccc2c(Cl)c1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000567577875 604315057 /nfs/dbraw/zinc/31/50/57/604315057.db2.gz IVXKTVYFTSZNSK-UHFFFAOYSA-N -1 0 334.784 3.844 20 0 EHADRM Cc1ccn(-c2ccccc2NC(=O)c2ccc(NC(=O)[O-])cc2)n1 ZINC000830601180 604320559 /nfs/dbraw/zinc/32/05/59/604320559.db2.gz JMUUUGAJUNSWQO-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM Cc1cccc(C)c1CCNC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000832963992 604321017 /nfs/dbraw/zinc/32/10/17/604321017.db2.gz BJGRJMAQETVBDV-UHFFFAOYSA-N -1 0 330.359 3.505 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(C(=O)[O-])c(C)c2)n1 ZINC000821112387 604333474 /nfs/dbraw/zinc/33/34/74/604333474.db2.gz XLQUFHXYKNDLQQ-KRWDZBQOSA-N -1 0 339.395 3.766 20 0 EHADRM C[C@@](CNC(=O)[O-])(NCc1ncc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000824953787 604341317 /nfs/dbraw/zinc/34/13/17/604341317.db2.gz XOVVVQMXENAWEE-KRWDZBQOSA-N -1 0 349.818 3.521 20 0 EHADRM C[C@H](NC(=O)[O-])c1nc(-c2ccc(Br)cc2)cs1 ZINC000825453430 604351790 /nfs/dbraw/zinc/35/17/90/604351790.db2.gz JMOKQHUDWYSVFM-ZETCQYMHSA-N -1 0 327.203 3.901 20 0 EHADRM CCOc1ccc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1 ZINC000830060019 604376824 /nfs/dbraw/zinc/37/68/24/604376824.db2.gz XNUWYKBQQXRXLO-KRWDZBQOSA-N -1 0 341.407 3.667 20 0 EHADRM C[C@@H](C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])c1cccs1 ZINC000825995773 604377591 /nfs/dbraw/zinc/37/75/91/604377591.db2.gz SDTHONKCFKHAFY-DOMZBBRYSA-N -1 0 331.437 3.820 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000318265414 604378779 /nfs/dbraw/zinc/37/87/79/604378779.db2.gz KFYXJSRQHCKTLU-UHFFFAOYSA-N -1 0 325.698 3.877 20 0 EHADRM CCn1c(C)cc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c1C ZINC000830408321 604381616 /nfs/dbraw/zinc/38/16/16/604381616.db2.gz VJAJUDKHGKFZKM-KRWDZBQOSA-N -1 0 342.439 3.707 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)/C=C\c1cccc(F)c1)c1ccccc1 ZINC000826089021 604384114 /nfs/dbraw/zinc/38/41/14/604384114.db2.gz GTAIDWQXDYEIEA-YUIUBULTSA-N -1 0 341.382 3.807 20 0 EHADRM C[C@H](CC(=O)N1CC[C@@H]1c1cccc(F)c1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824572838 604385145 /nfs/dbraw/zinc/38/51/45/604385145.db2.gz QICUODONOHXZPD-FRFSOERESA-N -1 0 348.418 3.515 20 0 EHADRM Cc1cc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])sc1C ZINC000832863975 604386083 /nfs/dbraw/zinc/38/60/83/604386083.db2.gz ZDKZFJGQBSZRLI-OAHLLOKOSA-N -1 0 331.437 3.947 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)CCc1cccs1 ZINC000829027451 604428262 /nfs/dbraw/zinc/42/82/62/604428262.db2.gz NEIQVKWRKBMDJG-INIZCTEOSA-N -1 0 331.437 3.745 20 0 EHADRM Cc1sc(NC(=O)/C=C/c2ccnc(Cl)c2)c(C(=O)[O-])c1C ZINC000833033746 604430889 /nfs/dbraw/zinc/43/08/89/604430889.db2.gz GBUIZBIKSSNKAX-ONEGZZNKSA-N -1 0 336.800 3.763 20 0 EHADRM C[C@H](CC(=O)NCc1ccc([C@H](C)NC(=O)[O-])cc1)c1ccccc1 ZINC000824654782 604442565 /nfs/dbraw/zinc/44/25/65/604442565.db2.gz HNQGKBMOISOXPU-CABCVRRESA-N -1 0 340.423 3.825 20 0 EHADRM C[C@@H](NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])c1cccs1 ZINC000827659225 604454834 /nfs/dbraw/zinc/45/48/34/604454834.db2.gz OMGODYPSSCECNX-DOMZBBRYSA-N -1 0 346.452 3.960 20 0 EHADRM CC(C)(C)O[C@H](C(=O)Nc1cc(C(=O)[O-])cs1)c1ccccc1 ZINC000833446328 604464751 /nfs/dbraw/zinc/46/47/51/604464751.db2.gz WCDIXNCOZCAERB-AWEZNQCLSA-N -1 0 333.409 3.941 20 0 EHADRM CC(C)Oc1cc(CN(Cc2ccsc2C(=O)[O-])C2CC2)ccn1 ZINC000833505002 604475531 /nfs/dbraw/zinc/47/55/31/604475531.db2.gz DXCPIPWCBJWCJK-UHFFFAOYSA-N -1 0 346.452 3.793 20 0 EHADRM C[C@H](COc1ccccc1)C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000825008796 604476686 /nfs/dbraw/zinc/47/66/86/604476686.db2.gz NNGKAMSAVUUITE-KGLIPLIRSA-N -1 0 342.395 3.669 20 0 EHADRM Cc1ccsc1CNC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000832984138 604479033 /nfs/dbraw/zinc/47/90/33/604479033.db2.gz JTLRTNWEAWYPOH-HNNXBMFYSA-N -1 0 346.452 3.708 20 0 EHADRM O=C([O-])c1csc(NC(=O)N2CCC(c3ccc(F)cc3)CC2)c1 ZINC000833341975 604484920 /nfs/dbraw/zinc/48/49/20/604484920.db2.gz BQTPNDFYAFQCTC-UHFFFAOYSA-N -1 0 348.399 3.997 20 0 EHADRM C[C@@H]1CSc2ccccc2N(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000833631988 604485572 /nfs/dbraw/zinc/48/55/72/604485572.db2.gz IAPRSZCEWSQJQS-MELADBBJSA-N -1 0 333.453 3.652 20 0 EHADRM CCOc1cccc([C@H](C)NC(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC000830099533 604485967 /nfs/dbraw/zinc/48/59/67/604485967.db2.gz IGUNRGQPLLWATG-JTQLQIEISA-N -1 0 334.397 3.728 20 0 EHADRM CCOc1ccc(CCC(=O)OC2CCC(CC(=O)[O-])CC2)cc1 ZINC000833664678 604496210 /nfs/dbraw/zinc/49/62/10/604496210.db2.gz WIYUSDYXUMDKLY-UHFFFAOYSA-N -1 0 334.412 3.595 20 0 EHADRM CO[C@H](CNC(=O)c1cccc(NC(=O)[O-])c1)c1ccccc1Cl ZINC000828849945 604514861 /nfs/dbraw/zinc/51/48/61/604514861.db2.gz YPUODYHUXLXUSU-OAHLLOKOSA-N -1 0 348.786 3.547 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)Nc2c(F)cccc2F)cc1 ZINC000825389290 604524866 /nfs/dbraw/zinc/52/48/66/604524866.db2.gz PLISAGRWZCTLRX-SNVBAGLBSA-N -1 0 349.337 3.615 20 0 EHADRM CCOc1ccc(C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)cc1OC ZINC000830064348 604541219 /nfs/dbraw/zinc/54/12/19/604541219.db2.gz RELNIIZZWJFNKK-NSHDSACASA-N -1 0 348.351 3.612 20 0 EHADRM CC(C)[C@H](C(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000833465517 604542122 /nfs/dbraw/zinc/54/21/22/604542122.db2.gz LMZPUIBBNISNCX-SFHVURJKSA-N -1 0 343.398 3.622 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(C(C)C)nc1 ZINC000827048958 604544886 /nfs/dbraw/zinc/54/48/86/604544886.db2.gz SKEBIJODDSRKRF-UHFFFAOYSA-N -1 0 342.395 3.943 20 0 EHADRM Cc1ccc(C(=O)N2CCCc3c(F)ccc(F)c32)cc1NC(=O)[O-] ZINC000830192559 604556546 /nfs/dbraw/zinc/55/65/46/604556546.db2.gz NNGKMDKWDMMSGS-UHFFFAOYSA-N -1 0 346.333 3.956 20 0 EHADRM C[C@H](NC(=O)NCCc1cccc(C(=O)[O-])c1)c1ccccc1Cl ZINC000325050560 604557067 /nfs/dbraw/zinc/55/70/67/604557067.db2.gz PIQSGXGSWOMNNW-LBPRGKRZSA-N -1 0 346.814 3.641 20 0 EHADRM CSc1cc(C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)ccc1N ZINC000832774144 604558830 /nfs/dbraw/zinc/55/88/30/604558830.db2.gz BECDUEOZIHCYMH-VIFPVBQESA-N -1 0 335.381 3.508 20 0 EHADRM COc1ccc2oc(CN(CC(=O)[O-])Cc3ccccc3)cc2c1 ZINC000833734954 604561217 /nfs/dbraw/zinc/56/12/17/604561217.db2.gz NNPWWANWBKGQCI-UHFFFAOYSA-N -1 0 325.364 3.528 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2cc3ccccc3n2C)oc1C(=O)[O-] ZINC000832873371 604570882 /nfs/dbraw/zinc/57/08/82/604570882.db2.gz BWDVMHDHPURAJW-LLVKDONJSA-N -1 0 327.336 3.696 20 0 EHADRM COc1cccc([C@@H](C)C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)c1 ZINC000832528751 604572240 /nfs/dbraw/zinc/57/22/40/604572240.db2.gz PTTPOHCZAXEJHE-NEPJUHHUSA-N -1 0 332.352 3.703 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000830168993 604572693 /nfs/dbraw/zinc/57/26/93/604572693.db2.gz KUCJPBGJZIZHDH-UHFFFAOYSA-N -1 0 336.800 3.798 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2nccc3ccccc32)oc1C(=O)[O-] ZINC000832873000 604575344 /nfs/dbraw/zinc/57/53/44/604575344.db2.gz DMJUHHWLRPTCNT-LLVKDONJSA-N -1 0 325.320 3.752 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)[C@H](C)CCOc2ccccc2)oc1C(=O)[O-] ZINC000832871771 604593690 /nfs/dbraw/zinc/59/36/90/604593690.db2.gz DKTYNZPTTHWOQD-TZMCWYRMSA-N -1 0 346.379 3.996 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)[C@@H](C)CCOc2ccccc2)oc1C(=O)[O-] ZINC000832871763 604593692 /nfs/dbraw/zinc/59/36/92/604593692.db2.gz DKTYNZPTTHWOQD-GXTWGEPZSA-N -1 0 346.379 3.996 20 0 EHADRM CC1=C(C(=O)O[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CCCO1 ZINC000833578365 604595523 /nfs/dbraw/zinc/59/55/23/604595523.db2.gz GYBQDWYTMAZUPR-CYBMUJFWSA-N -1 0 345.178 3.747 20 0 EHADRM Cc1cc([C@H](C)OC(=O)/C=C/SCc2ccco2)oc1C(=O)[O-] ZINC000832878801 604600729 /nfs/dbraw/zinc/60/07/29/604600729.db2.gz YTVFRMBDHMYJIG-ZRQQLDRUSA-N -1 0 336.365 3.931 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000236810185 604609633 /nfs/dbraw/zinc/60/96/33/604609633.db2.gz ICMWDPZOOJOVHJ-GFCCVEGCSA-N -1 0 349.324 3.826 20 0 EHADRM C[C@H](Oc1ccc(CN2CCCC[C@H]2c2nccs2)cc1)C(=O)[O-] ZINC000833541899 604622425 /nfs/dbraw/zinc/62/24/25/604622425.db2.gz PFAPMQWMNBEBBL-BBRMVZONSA-N -1 0 346.452 3.722 20 0 EHADRM Cc1ccc([C@H](CNc2nc(C(F)(F)F)cs2)C(=O)[O-])cc1 ZINC000832923104 604631268 /nfs/dbraw/zinc/63/12/68/604631268.db2.gz JVQXNRMBJBXERF-JTQLQIEISA-N -1 0 330.331 3.751 20 0 EHADRM O=C([O-])[C@@H](CNc1nc(C(F)(F)F)cs1)Cc1cccc(F)c1 ZINC000833163577 604632024 /nfs/dbraw/zinc/63/20/24/604632024.db2.gz JZGJEAQLWLJEQG-SECBINFHSA-N -1 0 348.321 3.656 20 0 EHADRM CCN(Cc1cccs1)C(=O)C[C@H](C)C1CCN(C(=O)[O-])CC1 ZINC000827193140 604653942 /nfs/dbraw/zinc/65/39/42/604653942.db2.gz HQLKZZFWZDCFQG-ZDUSSCGKSA-N -1 0 338.473 3.513 20 0 EHADRM COc1ccc(NCc2c[nH]c(C(=O)[O-])c2)cc1OC1CCCC1 ZINC000832413079 604654089 /nfs/dbraw/zinc/65/40/89/604654089.db2.gz AOGHIVLPQUEAFB-UHFFFAOYSA-N -1 0 330.384 3.655 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@H]1CC(=O)[O-])c1cccc2ccccc21 ZINC000827653316 604673138 /nfs/dbraw/zinc/67/31/38/604673138.db2.gz NLNCPWRSZTWJKJ-HIFRSBDPSA-N -1 0 326.396 3.550 20 0 EHADRM O=C([O-])c1ccc(CNCc2cc(Br)ccc2Cl)o1 ZINC000722376429 604680961 /nfs/dbraw/zinc/68/09/61/604680961.db2.gz LFWJFVLULCVUDA-UHFFFAOYSA-N -1 0 344.592 3.684 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)N1CCC[C@H]1CC(=O)[O-])C(C)(C)C ZINC000832981297 604688835 /nfs/dbraw/zinc/68/88/35/604688835.db2.gz FYXFAYLNVRRYQH-YOEHRIQHSA-N -1 0 332.444 3.731 20 0 EHADRM O=C([O-])[C@H](OC(=O)Cc1ccc(F)cc1Cl)c1ccccc1F ZINC000833118891 604692564 /nfs/dbraw/zinc/69/25/64/604692564.db2.gz UDCXOJCUIXTGMB-OAHLLOKOSA-N -1 0 340.709 3.530 20 0 EHADRM COC1CCC(CC(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000833718528 604717098 /nfs/dbraw/zinc/71/70/98/604717098.db2.gz CWUWLICHABKHHO-INORYPFCSA-N -1 0 340.803 3.604 20 0 EHADRM COC1CCC(CC(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000833718527 604717247 /nfs/dbraw/zinc/71/72/47/604717247.db2.gz CWUWLICHABKHHO-HFLCMSJXSA-N -1 0 340.803 3.604 20 0 EHADRM CC(C)c1ccc([C@H]2CCCN2C(=O)NCC(C)(C)C(=O)[O-])cc1 ZINC000833509697 604724928 /nfs/dbraw/zinc/72/49/28/604724928.db2.gz BVMWEOBXQGOZNM-MRXNPFEDSA-N -1 0 332.444 3.767 20 0 EHADRM CC(C)[C@H](C(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccccc1 ZINC000826677143 604729277 /nfs/dbraw/zinc/72/92/77/604729277.db2.gz QARIBAIAPYMNFS-HNNXBMFYSA-N -1 0 332.425 3.539 20 0 EHADRM O=C([O-])c1ccc(Sc2ccc(Cl)cn2)c(NC(=O)C2CC2)c1 ZINC000833324158 604731457 /nfs/dbraw/zinc/73/14/57/604731457.db2.gz JACVREKRGYIFST-UHFFFAOYSA-N -1 0 348.811 3.933 20 0 EHADRM CC[C@@H](OC(=O)CCc1ccccc1C(=O)[O-])C(=O)c1ccccc1 ZINC000833645734 604733170 /nfs/dbraw/zinc/73/31/70/604733170.db2.gz RHAHSKCOHAEYDI-QGZVFWFLSA-N -1 0 340.375 3.522 20 0 EHADRM C/C(=C/c1cccc(Cl)c1)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000761579591 604736035 /nfs/dbraw/zinc/73/60/35/604736035.db2.gz ZPWQQISJZJWYGA-DMIOIOJGSA-N -1 0 329.783 3.685 20 0 EHADRM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000537473550 604775712 /nfs/dbraw/zinc/77/57/12/604775712.db2.gz ZOZJOFQMKBVIQM-HXPMCKFVSA-N -1 0 341.382 3.506 20 0 EHADRM CCc1noc(-c2ccc(C)c(NCc3ccoc3C(=O)[O-])c2)n1 ZINC000833679532 604777544 /nfs/dbraw/zinc/77/75/44/604777544.db2.gz RTEFMUYWPQRQCP-UHFFFAOYSA-N -1 0 327.340 3.511 20 0 EHADRM O=C([O-])c1occc1CNc1ccc(-c2ncc3n2CCCC3)cc1 ZINC000833785158 604778198 /nfs/dbraw/zinc/77/81/98/604778198.db2.gz GPAUJSCNSZFCSU-UHFFFAOYSA-N -1 0 337.379 3.790 20 0 EHADRM CC(C)(C)Oc1ccncc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000833447606 604794014 /nfs/dbraw/zinc/79/40/14/604794014.db2.gz XKPGHQAJVVPJCJ-UHFFFAOYSA-N -1 0 342.395 3.528 20 0 EHADRM CN(Cc1ccc(NCc2noc(C3CCCCC3)n2)cc1)C(=O)[O-] ZINC000830841122 604798562 /nfs/dbraw/zinc/79/85/62/604798562.db2.gz VTTFTCCKCYFOKW-UHFFFAOYSA-N -1 0 344.415 3.839 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N1Cc2ccccc2C(F)(F)C1 ZINC000833335309 604799827 /nfs/dbraw/zinc/79/98/27/604799827.db2.gz NOLFAYBIYIGCDC-UHFFFAOYSA-N -1 0 332.306 3.524 20 0 EHADRM C[C@@H](SCCc1cn(CC(=O)[O-])nn1)c1cccc2ccccc21 ZINC000827908999 604802885 /nfs/dbraw/zinc/80/28/85/604802885.db2.gz PTVXSNNRSRLBIO-CYBMUJFWSA-N -1 0 341.436 3.553 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1F ZINC000833157059 604804945 /nfs/dbraw/zinc/80/49/45/604804945.db2.gz GAROQTHAJGEYNK-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM Cc1sc(NC(=O)c2nc(Cl)ccc2F)c(C(=O)[O-])c1C ZINC000833757872 604807684 /nfs/dbraw/zinc/80/76/84/604807684.db2.gz ADABIXUHOOTDSG-UHFFFAOYSA-N -1 0 328.752 3.503 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC2CCC(c3ccccc3)CC2)cc1F ZINC000833131749 604808922 /nfs/dbraw/zinc/80/89/22/604808922.db2.gz DVNPMEISZDUHIH-UHFFFAOYSA-N -1 0 341.382 3.980 20 0 EHADRM COC1CCC(CC(=O)Nc2cc(C(=O)[O-])ccc2Cl)CC1 ZINC000833718430 604810276 /nfs/dbraw/zinc/81/02/76/604810276.db2.gz AYINHOAUJABMQK-UHFFFAOYSA-N -1 0 325.792 3.572 20 0 EHADRM CN(C(=O)CCc1ccccc1C(=O)[O-])c1nc2ccccc2s1 ZINC000833684723 604810477 /nfs/dbraw/zinc/81/04/77/604810477.db2.gz QEZIZFMPVAFKOF-UHFFFAOYSA-N -1 0 340.404 3.590 20 0 EHADRM CC[C@H](C)Oc1ccc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000828764685 604815084 /nfs/dbraw/zinc/81/50/84/604815084.db2.gz LJZBZLRAHZFGMR-NSHDSACASA-N -1 0 331.343 3.954 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CC3(CCC3)c3c2cccc3F)cc1F ZINC000833308933 604817783 /nfs/dbraw/zinc/81/77/83/604817783.db2.gz GRYFXOCOALHLIO-UHFFFAOYSA-N -1 0 343.329 3.745 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)cc1F ZINC000833132050 604824692 /nfs/dbraw/zinc/82/46/92/604824692.db2.gz QHVIHCIJSQQWKH-KBXCAEBGSA-N -1 0 341.382 3.665 20 0 EHADRM Cc1ccc2cc(C(=O)N[C@H](CCC(=O)[O-])c3ccccc3)ccc2n1 ZINC000832961812 604824983 /nfs/dbraw/zinc/82/49/83/604824983.db2.gz HIAFZCNFTBGCSO-GOSISDBHSA-N -1 0 348.402 3.879 20 0 EHADRM CC(C)c1ncc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)s1 ZINC000191201819 604830690 /nfs/dbraw/zinc/83/06/90/604830690.db2.gz YEQHIORVDDMPLC-UHFFFAOYSA-N -1 0 346.452 3.774 20 0 EHADRM COc1ccc(NC(=O)c2cccc(C(C)C)n2)cc1NC(=O)[O-] ZINC000829474724 604833413 /nfs/dbraw/zinc/83/34/13/604833413.db2.gz MXZJKBAGNSVOEG-UHFFFAOYSA-N -1 0 329.356 3.556 20 0 EHADRM CC(=O)c1cccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])c1 ZINC000823635811 604835963 /nfs/dbraw/zinc/83/59/63/604835963.db2.gz JHPPBPVQUUMVGW-UHFFFAOYSA-N -1 0 338.363 3.572 20 0 EHADRM Cc1ccc(F)c2c1N(C(=O)CCc1ccccc1C(=O)[O-])CCC2 ZINC000833749429 604836993 /nfs/dbraw/zinc/83/69/93/604836993.db2.gz LOOUUTPHZSGGGU-UHFFFAOYSA-N -1 0 341.382 3.744 20 0 EHADRM CC1(OCC(=O)OCc2c3ccccc3sc2C(=O)[O-])CCC1 ZINC000828115776 604841913 /nfs/dbraw/zinc/84/19/13/604841913.db2.gz GGDVXQLVZJQBLK-UHFFFAOYSA-N -1 0 334.393 3.602 20 0 EHADRM Cc1ccc2cc(C(=O)O[C@@H](C)c3ccc(C(=O)[O-])o3)ccc2n1 ZINC000832962130 604844497 /nfs/dbraw/zinc/84/44/97/604844497.db2.gz QEZPRPZSDKFHTI-NSHDSACASA-N -1 0 325.320 3.752 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2cccc(Cl)c2)cc1Cl ZINC000237966063 604845690 /nfs/dbraw/zinc/84/56/90/604845690.db2.gz ZZMZWZBYNYDZOJ-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM C[C@@H]1CCC[C@@H](C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)C1 ZINC000237575547 604851105 /nfs/dbraw/zinc/85/11/05/604851105.db2.gz QUUNDDPYDRBSFS-GHMZBOCLSA-N -1 0 325.792 3.568 20 0 EHADRM CCc1sc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(OC)cc2)cc1C ZINC000013189145 604852630 /nfs/dbraw/zinc/85/26/30/604852630.db2.gz LJLRSWNIMVBJRX-AWEZNQCLSA-N -1 0 347.436 3.573 20 0 EHADRM C/C(=C/C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000236674141 604852804 /nfs/dbraw/zinc/85/28/04/604852804.db2.gz IJOKIGUPJHIJCC-XFXZXTDPSA-N -1 0 345.782 3.845 20 0 EHADRM Cc1cc(F)ccc1C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000191101480 604852817 /nfs/dbraw/zinc/85/28/17/604852817.db2.gz HCFNDDHWYKOMBJ-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000669435789 604860196 /nfs/dbraw/zinc/86/01/96/604860196.db2.gz RIXLVJQWDAKETD-KDOFPFPSSA-N -1 0 337.419 3.958 20 0 EHADRM C[C@H](CC(=O)N(C[C@H](C)C(=O)[O-])C1CC1)Cc1ccc(Cl)cc1 ZINC000191165965 604868438 /nfs/dbraw/zinc/86/84/38/604868438.db2.gz PPIPSPDUSMWWIM-STQMWFEESA-N -1 0 337.847 3.620 20 0 EHADRM CN(C(=O)c1cc2c(cccc2F)s1)C1(C(=O)[O-])CCCCC1 ZINC000391807775 604868783 /nfs/dbraw/zinc/86/87/83/604868783.db2.gz HKVNLCLCEXHGFL-UHFFFAOYSA-N -1 0 335.400 3.900 20 0 EHADRM CCc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC000540666660 604872085 /nfs/dbraw/zinc/87/20/85/604872085.db2.gz NEWVTESOBLKKAL-HNNXBMFYSA-N -1 0 335.762 3.597 20 0 EHADRM C/C(=C\C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1)c1ccc(F)cc1 ZINC000833381336 604877328 /nfs/dbraw/zinc/87/73/28/604877328.db2.gz FYPSRRMZPMMZAG-CMDGGOBGSA-N -1 0 346.383 3.900 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2sccc2-n2cccc2)C1 ZINC000325425705 604878637 /nfs/dbraw/zinc/87/86/37/604878637.db2.gz JLZAXMUJSNEKHK-CYBMUJFWSA-N -1 0 346.452 3.502 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000392149002 604880790 /nfs/dbraw/zinc/88/07/90/604880790.db2.gz XDGSJMDCRXMJRF-INIZCTEOSA-N -1 0 331.456 3.947 20 0 EHADRM CC(C)CO[C@H](C)C(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000833490020 604882168 /nfs/dbraw/zinc/88/21/68/604882168.db2.gz NHCYKMKGZGWNOU-ZWNOBZJWSA-N -1 0 348.317 3.593 20 0 EHADRM CSC[C@H](C)C(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000833737802 604882745 /nfs/dbraw/zinc/88/27/45/604882745.db2.gz GIFZUYURLVVAPH-GZMMTYOYSA-N -1 0 336.331 3.531 20 0 EHADRM CC1=C(C(=O)[O-])C[C@@H](CSc2nc3ccccc3n2C(F)F)O1 ZINC000833580690 604887897 /nfs/dbraw/zinc/88/78/97/604887897.db2.gz IKILLGKPXCINGV-VIFPVBQESA-N -1 0 340.351 3.671 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)CCc2ccccc2Cl)C1 ZINC000322198889 604891095 /nfs/dbraw/zinc/89/10/95/604891095.db2.gz SFALZMSTAXTXKP-AWEZNQCLSA-N -1 0 337.847 3.622 20 0 EHADRM C[C@]1(NC(=O)c2cc(F)c(Cl)cc2Cl)CCCC[C@@H]1C(=O)[O-] ZINC000262833922 604893071 /nfs/dbraw/zinc/89/30/71/604893071.db2.gz RFWPVAFSIKBXFY-PSLIRLAXSA-N -1 0 348.201 3.896 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cc3cc(F)ccc3o2)C1 ZINC000679103837 604894984 /nfs/dbraw/zinc/89/49/84/604894984.db2.gz KNHOUVZPKWGSBK-GFCCVEGCSA-N -1 0 333.359 3.535 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)[C@H]2CCSc3ccccc32)C1 ZINC000833414515 604895682 /nfs/dbraw/zinc/89/56/82/604895682.db2.gz AHEJGDIVSZCYII-ZFWWWQNUSA-N -1 0 347.480 3.615 20 0 EHADRM O=C([O-])NCCCC(=O)N[C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000833279834 604896541 /nfs/dbraw/zinc/89/65/41/604896541.db2.gz LPBDGKAONYIIMO-INIZCTEOSA-N -1 0 338.835 3.735 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C[C@@H]2CCCc3ccccc32)C1 ZINC000679105043 604896583 /nfs/dbraw/zinc/89/65/83/604896583.db2.gz JDQXEXVOWMOOGE-DLBZAZTESA-N -1 0 343.467 3.846 20 0 EHADRM CCCCCCNC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000829358136 604908514 /nfs/dbraw/zinc/90/85/14/604908514.db2.gz ZHDOJWNWFVQNFF-UHFFFAOYSA-N -1 0 328.796 3.505 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1cc2ccsc2[nH]1 ZINC000833226666 604936662 /nfs/dbraw/zinc/93/66/62/604936662.db2.gz RLVIKPFIUOKDPO-UHFFFAOYSA-N -1 0 342.420 3.737 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1ccc2cc[nH]c2c1 ZINC000237952070 604937634 /nfs/dbraw/zinc/93/76/34/604937634.db2.gz KXZLLZCCNAAYBR-UHFFFAOYSA-N -1 0 336.391 3.675 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cc(CC3CCCCC3)[nH]n2)cc1F ZINC000833150986 604943566 /nfs/dbraw/zinc/94/35/66/604943566.db2.gz LSGBFYZJKQOWFZ-UHFFFAOYSA-N -1 0 345.374 3.622 20 0 EHADRM C/C(=C/COC(=O)c1cc2ccccc2cc1OC(F)F)C(=O)[O-] ZINC000833383502 604955311 /nfs/dbraw/zinc/95/53/11/604955311.db2.gz MVVSOCKNMXDADQ-POHAHGRESA-N -1 0 336.290 3.629 20 0 EHADRM C[C@]1(NC(=O)c2ccc(-c3ccco3)s2)CCCC[C@@H]1C(=O)[O-] ZINC000833567053 604963940 /nfs/dbraw/zinc/96/39/40/604963940.db2.gz FNTCHSNOUVOMCS-DIFFPNOSSA-N -1 0 333.409 3.771 20 0 EHADRM CC(C)CCC[C@H](C)NC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000391116851 604973200 /nfs/dbraw/zinc/97/32/00/604973200.db2.gz GJDWJMMLGCMMBF-GJZGRUSLSA-N -1 0 326.481 3.734 20 0 EHADRM CC[C@H](NC(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccc(C)cc1 ZINC000828958047 604975812 /nfs/dbraw/zinc/97/58/12/604975812.db2.gz QHSMSJSNECCNCC-AWEZNQCLSA-N -1 0 347.440 3.742 20 0 EHADRM CC(C)CC(CC(C)C)NC(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000826763466 604989786 /nfs/dbraw/zinc/98/97/86/604989786.db2.gz ADXWQKYHGCECJA-UHFFFAOYSA-N -1 0 341.477 3.743 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C/C=C/c2ccc(F)cc2)C1 ZINC000679105709 604998384 /nfs/dbraw/zinc/99/83/84/604998384.db2.gz MDVKROYZAKHXLP-SJDLMVEWSA-N -1 0 333.403 3.578 20 0 EHADRM C[C@H](OC(=O)c1cncc(C(=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000833536452 605016497 /nfs/dbraw/zinc/01/64/97/605016497.db2.gz PJXVXUABHRRATE-VIFPVBQESA-N -1 0 339.269 3.717 20 0 EHADRM CC(=O)CCCCCCC(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000833387374 605048917 /nfs/dbraw/zinc/04/89/17/605048917.db2.gz AKLHPKROSUBJOE-OAHLLOKOSA-N -1 0 331.412 3.521 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000190473108 605052487 /nfs/dbraw/zinc/05/24/87/605052487.db2.gz NMTSVLPGKCKKFN-SJCJKPOMSA-N -1 0 347.361 3.791 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)Nc2nc(CC(=O)[O-])cs2)cc1 ZINC000649353122 605054113 /nfs/dbraw/zinc/05/41/13/605054113.db2.gz QEIUSAUIKBWOJB-UHFFFAOYSA-N -1 0 346.452 3.540 20 0 EHADRM C[C@H](CC(=O)N1C[C@H](C(=O)[O-])c2ccccc21)c1ccc(F)cc1F ZINC000192939697 605061881 /nfs/dbraw/zinc/06/18/81/605061881.db2.gz JBSGCGFUUMQBLT-ABAIWWIYSA-N -1 0 345.345 3.673 20 0 EHADRM CC(C)[C@H]1C[C@@H](CC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)CCO1 ZINC000833470896 605075173 /nfs/dbraw/zinc/07/51/73/605075173.db2.gz MKPTZLSGFOVRFF-DOTOQJQBSA-N -1 0 348.443 3.576 20 0 EHADRM C[C@H]1CC[C@@H](NC(=O)NCc2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC000833602262 605090233 /nfs/dbraw/zinc/09/02/33/605090233.db2.gz AZXHINNGVOSZAW-SCLBCKFNSA-N -1 0 338.407 3.823 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cccc(-c2nccs2)c1)C(=O)[O-] ZINC000424471078 605094580 /nfs/dbraw/zinc/09/45/80/605094580.db2.gz MTEDTCHYASRVCK-UHFFFAOYSA-N -1 0 347.440 3.823 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NCC1(c2ccc(F)cc2)CCCC1 ZINC000190618166 605102097 /nfs/dbraw/zinc/10/20/97/605102097.db2.gz MKKHFXUXZMQETD-UHFFFAOYSA-N -1 0 335.419 3.645 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Oc1ccc(Oc2nccs2)cc1 ZINC000833455579 605110781 /nfs/dbraw/zinc/11/07/81/605110781.db2.gz VFUFGQWGCNZXFM-UHFFFAOYSA-N -1 0 335.381 3.732 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000190858349 605129511 /nfs/dbraw/zinc/12/95/11/605129511.db2.gz ZVJDUNVNHHGVBW-MEBBXXQBSA-N -1 0 335.762 3.671 20 0 EHADRM CC(C)[C@@H](C)N(C)C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000050208833 605130087 /nfs/dbraw/zinc/13/00/87/605130087.db2.gz RUZQCFFYUGQCDQ-SECBINFHSA-N -1 0 343.221 3.656 20 0 EHADRM C[C@@H]1CC[C@H](C)N1C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000706278627 605130646 /nfs/dbraw/zinc/13/06/46/605130646.db2.gz JDZCKWQCTIIRRV-DTORHVGOSA-N -1 0 341.205 3.552 20 0 EHADRM C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC000833593995 605134546 /nfs/dbraw/zinc/13/45/46/605134546.db2.gz WGUHVDKMVOTIMU-ZYHUDNBSSA-N -1 0 349.452 3.659 20 0 EHADRM C[C@H]1C[C@H](C)CN(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])C1 ZINC000325740874 605135385 /nfs/dbraw/zinc/13/53/85/605135385.db2.gz CGJPRLIQABAFQK-UWVGGRQHSA-N -1 0 344.333 3.913 20 0 EHADRM CC(C)(C)Oc1cc(F)ccc1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000833448041 605136774 /nfs/dbraw/zinc/13/67/74/605136774.db2.gz WOBJGPXQPVTUED-UHFFFAOYSA-N -1 0 331.343 3.954 20 0 EHADRM CCC(CC)n1nc(C(=O)Nc2ccc(NC(=O)[O-])cc2)cc1C ZINC000833641516 605137265 /nfs/dbraw/zinc/13/72/65/605137265.db2.gz CZYMRLATWIKJBH-UHFFFAOYSA-N -1 0 330.388 3.895 20 0 EHADRM C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000833593658 605148845 /nfs/dbraw/zinc/14/88/45/605148845.db2.gz UEEOXUQUZOXJPD-GXSJLCMTSA-N -1 0 337.441 3.688 20 0 EHADRM CC1(c2ccccc2)CCN(C(=O)c2cccc(NC(=O)[O-])c2)CC1 ZINC000833572803 605149595 /nfs/dbraw/zinc/14/95/95/605149595.db2.gz CYKMTALAJFGKIR-UHFFFAOYSA-N -1 0 338.407 3.970 20 0 EHADRM C[C@H]1C[C@H](C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])CCC1=O ZINC000833588402 605150546 /nfs/dbraw/zinc/15/05/46/605150546.db2.gz HPHVDCBRZJISGU-VHSXEESVSA-N -1 0 337.441 3.688 20 0 EHADRM CC(C)C1CN(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])C1 ZINC000833470999 605154881 /nfs/dbraw/zinc/15/48/81/605154881.db2.gz GUHTXQODTAIEER-UHFFFAOYSA-N -1 0 330.306 3.523 20 0 EHADRM C[C@@H](Nc1ccc(C(=O)[O-])nn1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000833524675 605158682 /nfs/dbraw/zinc/15/86/82/605158682.db2.gz HVWOKERLWMHROY-NXEZZACHSA-N -1 0 339.317 3.798 20 0 EHADRM CC(C)c1ccc(CN(C)C(=O)Nc2cncc(C(=O)[O-])c2)cc1 ZINC000833510081 605169780 /nfs/dbraw/zinc/16/97/80/605169780.db2.gz JYUKMHDFOYGQTG-UHFFFAOYSA-N -1 0 327.384 3.567 20 0 EHADRM CC(C)c1cc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc(=O)[nH]1 ZINC000833509007 605173281 /nfs/dbraw/zinc/17/32/81/605173281.db2.gz AJXJZDXNZOTUEC-UHFFFAOYSA-N -1 0 342.395 3.525 20 0 EHADRM CC(C)(CNc1cncc(C(=O)[O-])n1)c1ccc(Cl)c(Cl)c1 ZINC000833460178 605181603 /nfs/dbraw/zinc/18/16/03/605181603.db2.gz YITBRVIFKGBOIE-UHFFFAOYSA-N -1 0 340.210 3.871 20 0 EHADRM CCc1[nH]c(C(=O)Nc2ccc(-c3ccc[nH]3)cc2)c(C)c1C(=O)[O-] ZINC000833669783 605186629 /nfs/dbraw/zinc/18/66/29/605186629.db2.gz WXLCIFVPKOTSRY-UHFFFAOYSA-N -1 0 337.379 3.831 20 0 EHADRM Cc1sc(NC(=O)c2cc(=O)[nH]c(C(C)C)c2)c(C(=O)[O-])c1C ZINC000833758424 605215710 /nfs/dbraw/zinc/21/57/10/605215710.db2.gz XABYXMQZRWIMIF-UHFFFAOYSA-N -1 0 334.397 3.539 20 0 EHADRM C[C@@H](Nc1ccc(CN(C)C(=O)[O-])cc1)c1nc2ccccc2n1C ZINC000833527349 605218839 /nfs/dbraw/zinc/21/88/39/605218839.db2.gz YBVJICQHNISXEL-CYBMUJFWSA-N -1 0 338.411 3.856 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)Nc2ncc(C3CCCCC3)s2)C1 ZINC000262999838 605228703 /nfs/dbraw/zinc/22/87/03/605228703.db2.gz FXFFINPZANZOSN-INIZCTEOSA-N -1 0 337.445 3.519 20 0 EHADRM CC[C@@H](C(=O)Nc1cc(C(=O)[O-])ccc1C)c1ccc(OC)cc1 ZINC000192870990 605229259 /nfs/dbraw/zinc/22/92/59/605229259.db2.gz PIDJSASZJJYYLO-MRXNPFEDSA-N -1 0 327.380 3.834 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000833642039 605244276 /nfs/dbraw/zinc/24/42/76/605244276.db2.gz WJEBKPMUVHARHW-UHFFFAOYSA-N -1 0 343.427 3.822 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000192955731 605247444 /nfs/dbraw/zinc/24/74/44/605247444.db2.gz KUAUVSHRPBJFSC-CRAIPNDOSA-N -1 0 337.419 3.860 20 0 EHADRM Cc1cc(C)n(-c2cccc(NCc3ccc(NC(=O)[O-])nc3)c2)n1 ZINC000830009933 605248710 /nfs/dbraw/zinc/24/87/10/605248710.db2.gz JDEKFHWUUHQOSV-UHFFFAOYSA-N -1 0 337.383 3.586 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC000317018338 605251287 /nfs/dbraw/zinc/25/12/87/605251287.db2.gz QXSPRGNCRADYDO-SECBINFHSA-N -1 0 336.800 3.553 20 0 EHADRM O=C([O-])N(CC(=O)N1CCC[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000831819948 605252800 /nfs/dbraw/zinc/25/28/00/605252800.db2.gz BWQUIVMCBLWBPV-QGZVFWFLSA-N -1 0 342.370 3.674 20 0 EHADRM Cc1ccc(NC[C@@H]2CCCN(C(=O)[O-])C2)cc1NC(=O)C(C)(C)C ZINC000830396011 605255633 /nfs/dbraw/zinc/25/56/33/605255633.db2.gz RKJMSAYIIZAOGC-AWEZNQCLSA-N -1 0 347.459 3.782 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000170739860 605255746 /nfs/dbraw/zinc/25/57/46/605255746.db2.gz MRYZPOZWYXWBKS-LBPRGKRZSA-N -1 0 341.860 3.884 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000630297690 605263939 /nfs/dbraw/zinc/26/39/39/605263939.db2.gz ANLNVMAOMIDFNF-OAQYLSRUSA-N -1 0 343.467 3.774 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000431813823 605267222 /nfs/dbraw/zinc/26/72/22/605267222.db2.gz WZRZPDWMTSRQED-MRXNPFEDSA-N -1 0 339.435 3.703 20 0 EHADRM CC[C@H](C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccc(OC)cc1 ZINC000685019574 605267308 /nfs/dbraw/zinc/26/73/08/605267308.db2.gz UGBQGSYDRCZQAG-WBVHZDCISA-N -1 0 347.455 3.538 20 0 EHADRM C[C@@H](COc1ccccc1)C(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833521269 605275489 /nfs/dbraw/zinc/27/54/89/605275489.db2.gz YURXRUGPHOEIFP-NSHDSACASA-N -1 0 332.331 3.569 20 0 EHADRM CC(C)[C@H]1CN(C(=O)Nc2ccc(NC(=O)[O-])c(F)c2)CCS1 ZINC000833472607 605283907 /nfs/dbraw/zinc/28/39/07/605283907.db2.gz YHQMEICIZPMFMB-CYBMUJFWSA-N -1 0 341.408 3.521 20 0 EHADRM C[C@H](Nc1ccc(OCCC(=O)[O-])cc1)c1nc2ccccc2o1 ZINC000833525101 605290250 /nfs/dbraw/zinc/29/02/50/605290250.db2.gz MPZACYMBVLLOSU-LBPRGKRZSA-N -1 0 326.352 3.854 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)CC1CCC(C(F)(F)F)CC1 ZINC000190691474 605292578 /nfs/dbraw/zinc/29/25/78/605292578.db2.gz ONRXRPFXZPCGQG-UHFFFAOYSA-N -1 0 337.382 3.705 20 0 EHADRM CC[C@H](C)Oc1cc(C(=O)Nc2ccc(NC(=O)[O-])c(F)c2)ccn1 ZINC000833640724 605305079 /nfs/dbraw/zinc/30/50/79/605305079.db2.gz BDWGGEUZCWBWNQ-JTQLQIEISA-N -1 0 347.346 3.740 20 0 EHADRM CC(C)=C(C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000833462616 605308761 /nfs/dbraw/zinc/30/87/61/605308761.db2.gz FYROCMCLZVYMMX-ZDUSSCGKSA-N -1 0 329.318 3.694 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(-c2ccccc2)o1)c1cccs1 ZINC000833773272 605334360 /nfs/dbraw/zinc/33/43/60/605334360.db2.gz SOOPOVLHPGNVTL-ZDUSSCGKSA-N -1 0 341.388 3.954 20 0 EHADRM O=C([O-])N1CCc2cccc(CNc3ccc(-c4ncco4)cc3)c21 ZINC000834121477 605355547 /nfs/dbraw/zinc/35/55/47/605355547.db2.gz RPAPDCRVXZUBOE-UHFFFAOYSA-N -1 0 335.363 3.994 20 0 EHADRM C[C@H]1CCC[C@@H]1C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000226514108 605366170 /nfs/dbraw/zinc/36/61/70/605366170.db2.gz HJTWVPLQXLFRPZ-WPRPVWTQSA-N -1 0 326.190 3.522 20 0 EHADRM CCC(CC)[C@H]1C[C@@H](NC(=O)Nc2ccc(NC(=O)[O-])cc2)CCO1 ZINC000833642297 605395891 /nfs/dbraw/zinc/39/58/91/605395891.db2.gz KDIMBXKVDTVVTO-JKSUJKDBSA-N -1 0 349.431 3.882 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N[C@H]2CC(C)(C)OC2(C)C)cc1 ZINC000833556080 605398078 /nfs/dbraw/zinc/39/80/78/605398078.db2.gz MFCUNXBLLKQTBL-AWEZNQCLSA-N -1 0 348.443 3.516 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N[C@@H]2CC(C)(C)OC2(C)C)cc1 ZINC000833556081 605398579 /nfs/dbraw/zinc/39/85/79/605398579.db2.gz MFCUNXBLLKQTBL-CQSZACIVSA-N -1 0 348.443 3.516 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)C(F)(F)F ZINC000580882867 605399084 /nfs/dbraw/zinc/39/90/84/605399084.db2.gz NOKKOZJHFFSIRB-GFCCVEGCSA-N -1 0 346.349 3.802 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N[C@@H]2CCCOc3c(F)cccc32)c1 ZINC000834263102 605405172 /nfs/dbraw/zinc/40/51/72/605405172.db2.gz PUQYKAGOFNEEBQ-OAHLLOKOSA-N -1 0 344.342 3.559 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)OCc1ccc(Cl)cn1)c1ccccc1 ZINC000834137684 605416591 /nfs/dbraw/zinc/41/65/91/605416591.db2.gz OGMGZESDWULXIM-OAHLLOKOSA-N -1 0 348.786 3.567 20 0 EHADRM Cc1ccc(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)cc1NC(=O)[O-] ZINC000830211392 605432699 /nfs/dbraw/zinc/43/26/99/605432699.db2.gz POVFJSSTZRCADK-OAHLLOKOSA-N -1 0 346.427 3.697 20 0 EHADRM CC(C)(C)Sc1cc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)ccn1 ZINC000833448148 605446974 /nfs/dbraw/zinc/44/69/74/605446974.db2.gz MBHVARDNTKNMBI-HNNXBMFYSA-N -1 0 344.436 3.528 20 0 EHADRM COc1ccc(C(C)=O)c(OC(=O)c2ccc(NC(=O)[O-])c(C)c2)c1 ZINC000829292822 605568417 /nfs/dbraw/zinc/56/84/17/605568417.db2.gz HMKSFTWOICMRFI-UHFFFAOYSA-N -1 0 343.335 3.515 20 0 EHADRM Cc1cc(C(=O)Nc2ccnn2[C@@H](C)C2CC2)ccc1NC(=O)[O-] ZINC000829969810 605578198 /nfs/dbraw/zinc/57/81/98/605578198.db2.gz CGDMFVOHFHQRPT-NSHDSACASA-N -1 0 328.372 3.505 20 0 EHADRM COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000829311639 605582654 /nfs/dbraw/zinc/58/26/54/605582654.db2.gz OWIRHLPWDGYYTC-CYBMUJFWSA-N -1 0 342.395 3.893 20 0 EHADRM COc1ccc2c(c1)CCCN2C(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000829520481 605588148 /nfs/dbraw/zinc/58/81/48/605588148.db2.gz ABQOLOJYMNVGNC-UHFFFAOYSA-N -1 0 340.379 3.687 20 0 EHADRM CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000621553735 605604798 /nfs/dbraw/zinc/60/47/98/605604798.db2.gz IZSQNUWICCBAIN-NXEZZACHSA-N -1 0 347.333 3.947 20 0 EHADRM CCN(CCc1cccs1)C(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000827157153 605604980 /nfs/dbraw/zinc/60/49/80/605604980.db2.gz ZGKPMVWDUOCYAD-UHFFFAOYSA-N -1 0 332.425 3.851 20 0 EHADRM CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000833638120 605615779 /nfs/dbraw/zinc/61/57/79/605615779.db2.gz KROBPHGWSACRPX-BDAKNGLRSA-N -1 0 328.206 3.768 20 0 EHADRM CC1(C)CCC(CC(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)CC1 ZINC000564454283 605621711 /nfs/dbraw/zinc/62/17/11/605621711.db2.gz HTNIWUMZWRWBMF-UHFFFAOYSA-N -1 0 344.455 3.880 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)c2cccc([C@H]3CCOC3)c2)c1 ZINC000834261717 605642386 /nfs/dbraw/zinc/64/23/86/605642386.db2.gz NMXUYQHFZKAHQK-ZDUSSCGKSA-N -1 0 344.342 3.672 20 0 EHADRM Cc1cc(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)ccc1NC(=O)[O-] ZINC000829939356 605653101 /nfs/dbraw/zinc/65/31/01/605653101.db2.gz CZIODPCRNBYPQP-ZBFHGGJFSA-N -1 0 328.343 3.510 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2ccc3c(cnn3C(F)F)c2)cc1 ZINC000834256928 605653062 /nfs/dbraw/zinc/65/30/62/605653062.db2.gz UPGXHMMMSOPIDM-UHFFFAOYSA-N -1 0 346.293 3.774 20 0 EHADRM COc1ccc(C2(NC(=O)c3ccc(NC(=O)[O-])c(C)c3)CC2)cc1 ZINC000829332355 605686144 /nfs/dbraw/zinc/68/61/44/605686144.db2.gz QSKSQVFHCSMOPF-UHFFFAOYSA-N -1 0 340.379 3.513 20 0 EHADRM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000833603264 605707391 /nfs/dbraw/zinc/70/73/91/605707391.db2.gz ABBRXFHSQPQVEX-WPRPVWTQSA-N -1 0 348.296 3.719 20 0 EHADRM Cc1cc(C(=O)N2CCC(OC(C)(C)C)CC2)ccc1NC(=O)[O-] ZINC000829919330 605712148 /nfs/dbraw/zinc/71/21/48/605712148.db2.gz JEYQPNODCJWHQA-UHFFFAOYSA-N -1 0 334.416 3.505 20 0 EHADRM CC(C)CO[C@H](C)C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833489774 605712855 /nfs/dbraw/zinc/71/28/55/605712855.db2.gz KDISRLUKWHMGOW-RNCFNFMXSA-N -1 0 349.210 3.723 20 0 EHADRM Cc1cc(C(=O)N2CCCc3c(F)ccc(F)c32)ccc1NC(=O)[O-] ZINC000829930290 605713428 /nfs/dbraw/zinc/71/34/28/605713428.db2.gz NJQNFAAKPVJWSJ-UHFFFAOYSA-N -1 0 346.333 3.956 20 0 EHADRM COCCC[C@@H](C)C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833724718 605714258 /nfs/dbraw/zinc/71/42/58/605714258.db2.gz JBNXOVXLICXCHE-NOZJJQNGSA-N -1 0 349.210 3.725 20 0 EHADRM O=C([O-])N1CCCCC[C@H]1c1noc(-c2scnc2C2CC2)n1 ZINC000834110415 605723987 /nfs/dbraw/zinc/72/39/87/605723987.db2.gz XIFFCTDAFFPXNO-JTQLQIEISA-N -1 0 334.401 3.666 20 0 EHADRM C[C@H](C(=O)N1CC[C@@H](NC(=O)[O-])C[C@H]1C)c1ccc2ccccc2c1 ZINC000823662074 605753214 /nfs/dbraw/zinc/75/32/14/605753214.db2.gz MFKKCFLAICYLSP-QWQRMKEZSA-N -1 0 340.423 3.590 20 0 EHADRM O=C([O-])Nc1cccc(OC(=O)Cc2cc(-c3ccccc3)on2)c1 ZINC000834268403 605775499 /nfs/dbraw/zinc/77/54/99/605775499.db2.gz OUPVQFYRLKVBMV-UHFFFAOYSA-N -1 0 338.319 3.580 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CN(C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)CC2 ZINC000191654100 605794799 /nfs/dbraw/zinc/79/47/99/605794799.db2.gz BWZHAVHAAQJOLV-JKSUJKDBSA-N -1 0 343.467 3.760 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)/C=C\c2ccc3[nH]ccc3c2)c(F)c1 ZINC000833776492 605800402 /nfs/dbraw/zinc/80/04/02/605800402.db2.gz KAWLZFLPYZFBOB-UTCJRWHESA-N -1 0 339.322 3.553 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000834266667 605809647 /nfs/dbraw/zinc/80/96/47/605809647.db2.gz UPAKCDNFLGPOEU-UHFFFAOYSA-N -1 0 338.285 3.977 20 0 EHADRM COc1cc(N[C@@H]2C[C@@H](NC(=O)[O-])c3ccccc32)cc(OC)c1 ZINC000833887581 605809838 /nfs/dbraw/zinc/80/98/38/605809838.db2.gz IKLZUTVNODABKK-IAGOWNOFSA-N -1 0 328.368 3.569 20 0 EHADRM O=C([O-])NC1CCC(C(=O)N2CCC[C@H]2/C=C\c2ccccc2)CC1 ZINC000834162763 605821412 /nfs/dbraw/zinc/82/14/12/605821412.db2.gz GWGSMQIPRSIKPN-YYLWRXBLSA-N -1 0 342.439 3.517 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@@H]2c2ccc(O)cc2)ccc1NC(=O)[O-] ZINC000829926097 605888546 /nfs/dbraw/zinc/88/85/46/605888546.db2.gz XUULMAOZFWSOKS-QGZVFWFLSA-N -1 0 340.379 3.768 20 0 EHADRM O=C([O-])NCCCCC(=O)Nc1ccc(F)cc1OC1CCCC1 ZINC000834235164 605927192 /nfs/dbraw/zinc/92/71/92/605927192.db2.gz OOKBWNZYOHPRAM-UHFFFAOYSA-N -1 0 338.379 3.524 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)Nc2ccc(-c3ccc[nH]3)cc2)cc1 ZINC000834248717 605978245 /nfs/dbraw/zinc/97/82/45/605978245.db2.gz IDGRMCNXPKSCDV-UHFFFAOYSA-N -1 0 335.363 3.702 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2cc(NC(=O)[O-])ccc2C)cc1 ZINC000833901744 606005004 /nfs/dbraw/zinc/00/50/04/606005004.db2.gz OGCFJGKXVRNWEK-UHFFFAOYSA-N -1 0 340.379 3.995 20 0 EHADRM Cc1nc2ccc(NC(=O)Cc3ccccc3NC(=O)[O-])cc2s1 ZINC000833918472 606039932 /nfs/dbraw/zinc/03/99/32/606039932.db2.gz YHURFIGOSNHWRV-UHFFFAOYSA-N -1 0 341.392 3.876 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)Nc1cccc(Br)c1 ZINC000834272349 606041582 /nfs/dbraw/zinc/04/15/82/606041582.db2.gz AXIVANQBRKFDNJ-UHFFFAOYSA-N -1 0 349.184 3.720 20 0 EHADRM O=C([O-])N1CCc2cc(N[C@@H]3CC[C@@H]4SCCS[C@@H]34)ccc21 ZINC000834121620 606103910 /nfs/dbraw/zinc/10/39/10/606103910.db2.gz BGQJSBKIVXTJJW-SNPRPXQTSA-N -1 0 336.482 3.519 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000236900311 939045206 /nfs/dbraw/zinc/04/52/06/939045206.db2.gz MSUGIICKIBWNFG-IFXJQAMLSA-N -1 0 341.407 3.521 20 0 EHADRM CC[C@@](NC(=O)Nc1ccc2[nH]ccc2c1)(C(=O)[O-])c1ccccc1 ZINC000684743713 939045391 /nfs/dbraw/zinc/04/53/91/939045391.db2.gz BRZPRYHHYHDJLZ-IBGZPJMESA-N -1 0 337.379 3.680 20 0 EHADRM Cc1[nH]c2ccc(C(=O)NC3(C(=O)[O-])CCCCCC3)cc2c1C ZINC000237726799 939048853 /nfs/dbraw/zinc/04/88/53/939048853.db2.gz BUICRBODZQKMPV-UHFFFAOYSA-N -1 0 328.412 3.692 20 0 EHADRM O=C([O-])C1(NC(=O)CCSc2ccc(F)cc2)CCCCCC1 ZINC000238078242 939057035 /nfs/dbraw/zinc/05/70/35/939057035.db2.gz FBVDBQOTOCSJSL-UHFFFAOYSA-N -1 0 339.432 3.602 20 0 EHADRM CC1(C)CCC(=CC(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)CC1 ZINC000761586095 939067416 /nfs/dbraw/zinc/06/74/16/939067416.db2.gz RZERHCRWLMCDAT-MRXNPFEDSA-N -1 0 337.366 3.733 20 0 EHADRM O=C(C=C(C1CC1)C1CC1)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000762212239 939071940 /nfs/dbraw/zinc/07/19/40/939071940.db2.gz TWVDDOJEPSGDCN-HXUWFJFHSA-N -1 0 335.403 3.828 20 0 EHADRM COc1ccc([C@H](NC(=O)CCC2CCCC2)C(=O)[O-])cc1Cl ZINC000262867663 939081549 /nfs/dbraw/zinc/08/15/49/939081549.db2.gz ATIXWAXIGDSZFH-INIZCTEOSA-N -1 0 339.819 3.561 20 0 EHADRM COc1ccc([C@H](NC(=O)c2ccc(C(C)C)cc2)C(=O)[O-])cc1F ZINC000262898754 939084542 /nfs/dbraw/zinc/08/45/42/939084542.db2.gz CTLLOERFXVCUIV-KRWDZBQOSA-N -1 0 345.370 3.513 20 0 EHADRM Cc1cc(C(=O)N[C@H](C(=O)[O-])c2ccc(F)c(C)c2)c(C)n1C(C)C ZINC000263059134 939096478 /nfs/dbraw/zinc/09/64/78/939096478.db2.gz OJECIVUMPPOTCV-KRWDZBQOSA-N -1 0 346.402 3.689 20 0 EHADRM Cc1ccc(CCC(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1Cl ZINC000320390154 939123705 /nfs/dbraw/zinc/12/37/05/939123705.db2.gz XIMWVWXBYMZZSI-QGZVFWFLSA-N -1 0 331.799 3.523 20 0 EHADRM C[C@@H]1CCc2c(C(=O)N[C@@](C)(C(=O)[O-])c3ccccc3)csc2C1 ZINC000324327424 939125330 /nfs/dbraw/zinc/12/53/30/939125330.db2.gz AOUKFNDGATVDMO-CWTRNNRKSA-N -1 0 343.448 3.603 20 0 EHADRM CCOc1ccc(NC(=O)NC2(C(=O)[O-])CCCCCC2)cc1F ZINC000325629004 939127093 /nfs/dbraw/zinc/12/70/93/939127093.db2.gz VVJODSRBQOYONU-UHFFFAOYSA-N -1 0 338.379 3.524 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1cccc(C(F)F)c1)C1CCCCC1 ZINC000386255651 939132943 /nfs/dbraw/zinc/13/29/43/939132943.db2.gz SYWORGYNVQHESO-CYBMUJFWSA-N -1 0 326.343 3.779 20 0 EHADRM CC[C@](NC(=O)[C@@H]1CCC[C@@H](F)C1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000425229225 939141502 /nfs/dbraw/zinc/14/15/02/939141502.db2.gz BGWTZVGVYUPASS-JDSLSITLSA-N -1 0 341.810 3.674 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccccn1 ZINC000788323560 939151275 /nfs/dbraw/zinc/15/12/75/939151275.db2.gz XAANNNCOOLPOCL-SFHVURJKSA-N -1 0 347.374 3.696 20 0 EHADRM COc1ccc([C@@H](NC(=O)CC2CCC(C)(C)CC2)C(=O)[O-])cc1 ZINC000431796941 939159399 /nfs/dbraw/zinc/15/93/99/939159399.db2.gz BJECJSLPDQUPQO-QGZVFWFLSA-N -1 0 333.428 3.544 20 0 EHADRM CCCc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000797735393 939197927 /nfs/dbraw/zinc/19/79/27/939197927.db2.gz KJGKHHXDSRCMAI-MRXNPFEDSA-N -1 0 330.359 3.726 20 0 EHADRM CC[C@H](C(=O)N[C@@](CC)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000447895472 939204664 /nfs/dbraw/zinc/20/46/64/939204664.db2.gz YWCVLZVJEAJJBO-FXAWDEMLSA-N -1 0 325.408 3.687 20 0 EHADRM C/C(=C/C(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000836750253 939224031 /nfs/dbraw/zinc/22/40/31/939224031.db2.gz HULJTQHINIRUTR-DZFYGRHCSA-N -1 0 342.222 3.766 20 0 EHADRM CC[C@](NC(=O)Cc1ccc(C)cc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507308064 939232843 /nfs/dbraw/zinc/23/28/43/939232843.db2.gz BGVKTTNBHPQDLG-LJQANCHMSA-N -1 0 345.826 3.697 20 0 EHADRM CC[C@H](NC(=O)N[C@H](C(=O)[O-])c1ccsc1)c1ccc(C)cc1 ZINC000520708941 939255042 /nfs/dbraw/zinc/25/50/42/939255042.db2.gz XGBQHDAYWHTAOF-GJZGRUSLSA-N -1 0 332.425 3.633 20 0 EHADRM Cc1ccc(NC(=O)N[C@H](C(=O)[O-])C2CC2)cc1-c1ccsc1 ZINC000871614276 939260065 /nfs/dbraw/zinc/26/00/65/939260065.db2.gz FOGSIWJAWWNMDK-HNNXBMFYSA-N -1 0 330.409 3.708 20 0 EHADRM Cc1ccc([C@H](NC(=O)c2sccc2C(F)F)C(=O)[O-])cc1C ZINC000872725159 939263092 /nfs/dbraw/zinc/26/30/92/939263092.db2.gz PIXPXBZAZZATFH-LBPRGKRZSA-N -1 0 339.363 3.858 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc(C2CC2)oc1C1CC1)c1ccccc1 ZINC000907576254 939299949 /nfs/dbraw/zinc/29/99/49/939299949.db2.gz CLHIFVLLXAOHCE-MRXNPFEDSA-N -1 0 325.364 3.590 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)N[C@H](C(=O)[O-])c2ccsc2)c2ccccc21 ZINC000555846121 939304632 /nfs/dbraw/zinc/30/46/32/939304632.db2.gz JRMDAUHIYJQFLY-RLCCDNCMSA-N -1 0 344.436 3.812 20 0 EHADRM CC(C)COc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000561533575 939319446 /nfs/dbraw/zinc/31/94/46/939319446.db2.gz FKGVWWOEMDZZGG-QGZVFWFLSA-N -1 0 342.395 3.669 20 0 EHADRM CCO[C@H]1C[C@@](NC(=O)Nc2ccc(C(C)C)cc2)(C(=O)[O-])C1(C)C ZINC000563931792 939342938 /nfs/dbraw/zinc/34/29/38/939342938.db2.gz XGEGIUSDLUNPCF-HNAYVOBHSA-N -1 0 348.443 3.590 20 0 EHADRM CSc1ccc(CCCC(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000566563435 939355201 /nfs/dbraw/zinc/35/52/01/939355201.db2.gz HYVFIRJGMCRADJ-GOSISDBHSA-N -1 0 343.448 3.673 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)N[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC000566864343 939358078 /nfs/dbraw/zinc/35/80/78/939358078.db2.gz BSWPBQCYJKSFCL-SJCJKPOMSA-N -1 0 331.437 3.746 20 0 EHADRM Cc1cc(C)cc([C@H](NC(=O)Nc2ccc3[nH]ccc3c2)C(=O)[O-])c1 ZINC000567011363 939358994 /nfs/dbraw/zinc/35/89/94/939358994.db2.gz ZVXGJVRQAUIANG-KRWDZBQOSA-N -1 0 337.379 3.732 20 0 EHADRM CC[C@@H](CC(=O)N[C@H](C(=O)[O-])c1ccsc1)c1ccc(C)cc1 ZINC000570057890 939381034 /nfs/dbraw/zinc/38/10/34/939381034.db2.gz JZXLBCCPXZIFSS-GUYCJALGSA-N -1 0 331.437 3.882 20 0 EHADRM C[C@@](NC(=O)Nc1ccc(CCC(F)(F)F)cc1)(C(=O)[O-])C1CC1 ZINC000570710933 939385588 /nfs/dbraw/zinc/38/55/88/939385588.db2.gz GHZXKBQZLJDUHM-HNNXBMFYSA-N -1 0 344.333 3.556 20 0 EHADRM C[C@@H](NC(=O)NC1(C(=O)[O-])CCCCC1)c1cccc2ccccc21 ZINC000572149241 939397123 /nfs/dbraw/zinc/39/71/23/939397123.db2.gz GWNDCJZVHBMXNH-CQSZACIVSA-N -1 0 340.423 3.988 20 0 EHADRM C[C@@H](NC(=O)NC1(C(=O)[O-])CCCCC1)c1c(F)cccc1Cl ZINC000574306406 939725551 /nfs/dbraw/zinc/72/55/51/939725551.db2.gz WTXOKDIYQMQTOC-SNVBAGLBSA-N -1 0 342.798 3.627 20 0 EHADRM Cc1cc(C)cc([C@H](NC(=O)CC2CC(OC(C)(C)C)C2)C(=O)[O-])c1 ZINC000909791269 939728818 /nfs/dbraw/zinc/72/88/18/939728818.db2.gz FRCLIHIIAOUZJB-PVARCSIZSA-N -1 0 347.455 3.529 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000577243146 939745403 /nfs/dbraw/zinc/74/54/03/939745403.db2.gz HRWKEHIITIKOIJ-HNNXBMFYSA-N -1 0 343.379 3.905 20 0 EHADRM CCOCCCCCC(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC000910939083 939762985 /nfs/dbraw/zinc/76/29/85/939762985.db2.gz ZAJWHYSFWAQEAY-LJQANCHMSA-N -1 0 343.423 3.679 20 0 EHADRM O=C([O-])[C@H](NC(=O)N[C@@H]1CCSc2ccccc21)C1CCCCC1 ZINC000579994389 939766882 /nfs/dbraw/zinc/76/68/82/939766882.db2.gz FANQEJBOKNLGAF-GDBMZVCRSA-N -1 0 348.468 3.556 20 0 EHADRM CC[C@](NC(=O)c1ccsc1C(F)F)(C(=O)[O-])c1ccccc1 ZINC000923053835 939783936 /nfs/dbraw/zinc/78/39/36/939783936.db2.gz CTGFPGBDUUBUKT-MRXNPFEDSA-N -1 0 339.363 3.806 20 0 EHADRM CCc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(F)c(C)c2)cc1F ZINC000582524538 939785134 /nfs/dbraw/zinc/78/51/34/939785134.db2.gz AYWWVHHPHURQPS-INIZCTEOSA-N -1 0 348.349 3.783 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1cccc(CSC2CCCC2)c1)C1CC1 ZINC000595993431 939802567 /nfs/dbraw/zinc/80/25/67/939802567.db2.gz GEMRNFZWTPZXDI-MRXNPFEDSA-N -1 0 333.453 3.912 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1C(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC000630145122 939812537 /nfs/dbraw/zinc/81/25/37/939812537.db2.gz QOHQAXWBKADKHK-HXUWFJFHSA-N -1 0 339.391 3.770 20 0 EHADRM CC1(C)CCC[C@](NC(=O)c2cccc(F)c2Cl)(C(=O)[O-])C1 ZINC000630249355 939821044 /nfs/dbraw/zinc/82/10/44/939821044.db2.gz YOVDQTITBZGDFZ-MRXNPFEDSA-N -1 0 327.783 3.633 20 0 EHADRM CCO[C@H]1C[C@@](NC(=O)CCC2CCCCCC2)(C(=O)[O-])C1(C)C ZINC000656241070 939841607 /nfs/dbraw/zinc/84/16/07/939841607.db2.gz GPZLGSZYSNUDOX-HNAYVOBHSA-N -1 0 339.476 3.512 20 0 EHADRM C[C@H](NC(=O)[C@H](C(=O)[O-])C1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000663077227 939852839 /nfs/dbraw/zinc/85/28/39/939852839.db2.gz IWQQSYRZRLENNT-IINYFYTJSA-N -1 0 343.345 3.774 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1cccc2c1ccn2C(F)F)C1CCCC1 ZINC000663125008 939856989 /nfs/dbraw/zinc/85/69/89/939856989.db2.gz IRCIIPUNVOYHMS-CQSZACIVSA-N -1 0 336.338 3.866 20 0 EHADRM C[C@H](C(=O)NC1(C(=O)[O-])CCCC1)c1c(Cl)cccc1Cl ZINC000666361822 939860382 /nfs/dbraw/zinc/86/03/82/939860382.db2.gz ZKHOPMKGWJIFAX-VIFPVBQESA-N -1 0 330.211 3.611 20 0 EHADRM CC(C)[C@H](CC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000675979186 939864040 /nfs/dbraw/zinc/86/40/40/939864040.db2.gz CWPFGKNTUXHPND-GHTZIAJQSA-N -1 0 339.435 3.933 20 0 EHADRM O=C([O-])[C@]1(NC(=O)c2cc3ccccc3s2)CCc2ccccc21 ZINC000675987852 939866603 /nfs/dbraw/zinc/86/66/03/939866603.db2.gz TZHYEDCFLJOQBC-IBGZPJMESA-N -1 0 337.400 3.557 20 0 EHADRM Cc1cc2cc(C(=O)N[C@]3(C(=O)[O-])CCc4ccccc43)oc2cc1C ZINC000675991613 939867813 /nfs/dbraw/zinc/86/78/13/939867813.db2.gz RMFLXKWGVMLBST-OAQYLSRUSA-N -1 0 349.386 3.706 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)c1 ZINC000679558550 939870020 /nfs/dbraw/zinc/87/00/20/939870020.db2.gz ASAWTLHXRXLABK-BLLLJJGKSA-N -1 0 334.416 3.549 20 0 EHADRM C[C@H](C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)c1ccc(Cl)s1 ZINC000683307147 939870266 /nfs/dbraw/zinc/87/02/66/939870266.db2.gz IEUGNNATYJUMDF-MGPLVRAMSA-N -1 0 337.828 3.621 20 0 EHADRM Cc1cc(Cl)c(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1C ZINC000683308365 939870472 /nfs/dbraw/zinc/87/04/72/939870472.db2.gz QWSMJPXZCADXBG-GOSISDBHSA-N -1 0 331.799 3.687 20 0 EHADRM Cc1ccc(-c2c[nH]cc2C(=O)NCc2cccc(C(=O)[O-])c2)s1 ZINC001600312951 970796766 /nfs/dbraw/zinc/79/67/66/970796766.db2.gz GFQBOHBXGCSIRW-UHFFFAOYSA-N -1 0 340.404 3.680 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)c1cc(Cl)c2ccccc2n1 ZINC000322068822 970843375 /nfs/dbraw/zinc/84/33/75/970843375.db2.gz CVOLSDPUTGVRJQ-AWEZNQCLSA-N -1 0 334.803 3.507 20 0 EHADRM C[C@H]1CCC[C@@H](CNC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C1 ZINC000322261109 970866140 /nfs/dbraw/zinc/86/61/40/970866140.db2.gz PHLFXWCEZVQAPL-VHSXEESVSA-N -1 0 326.343 3.611 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)ccc1F ZINC000322461047 970889181 /nfs/dbraw/zinc/88/91/81/970889181.db2.gz HOKSFEOJAZMROJ-IUCAKERBSA-N -1 0 333.281 3.831 20 0 EHADRM O=C([O-])[C@H]1CCN(CCOc2ccccc2Cl)c2ccccc21 ZINC000322685254 970919000 /nfs/dbraw/zinc/91/90/00/970919000.db2.gz KPQDKAIETAWQBJ-AWEZNQCLSA-N -1 0 331.799 3.797 20 0 EHADRM N#Cc1ccc(CN2CCCc3c(C(=O)[O-])cccc32)c(Cl)c1 ZINC000322918178 970945863 /nfs/dbraw/zinc/94/58/63/970945863.db2.gz VILXSJPCNSMDBD-UHFFFAOYSA-N -1 0 326.783 3.863 20 0 EHADRM Cc1nc(C)c(Br)c(Oc2ccc(C(=O)[O-])c(C)c2)n1 ZINC000323116866 970967884 /nfs/dbraw/zinc/96/78/84/970967884.db2.gz RDTSRCOVWZAPDJ-UHFFFAOYSA-N -1 0 337.173 3.655 20 0 EHADRM O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)c1ccnc(Cl)c1 ZINC000323143311 970970462 /nfs/dbraw/zinc/97/04/62/970970462.db2.gz KGVPTVSUYVDHBO-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cnc(Cl)c3ccccc23)cc1 ZINC000323170166 970971828 /nfs/dbraw/zinc/97/18/28/970971828.db2.gz WDTVJBZLSGDXKT-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)Cc2cccc(F)c2F)c1Cl ZINC001601365117 970981418 /nfs/dbraw/zinc/98/14/18/970981418.db2.gz KFXWINXLUIPHCY-UHFFFAOYSA-N -1 0 343.688 3.637 20 0 EHADRM CC[C@H]1CCCCCN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000323960748 971067726 /nfs/dbraw/zinc/06/77/26/971067726.db2.gz GNDKLKNZASNZSU-JTQLQIEISA-N -1 0 326.343 3.850 20 0 EHADRM CC[C@@H]1CC[C@@H](C)N(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000324139440 971088079 /nfs/dbraw/zinc/08/80/79/971088079.db2.gz RMZFTNIQILCJRP-NXEZZACHSA-N -1 0 326.343 3.705 20 0 EHADRM Cc1ccc(OCc2noc(-c3ccc(Cl)cc3)n2)c(C(=O)[O-])c1 ZINC000324383455 971114783 /nfs/dbraw/zinc/11/47/83/971114783.db2.gz MAJTXDLNFJTJOU-UHFFFAOYSA-N -1 0 344.754 3.976 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)/C=C\c2ccccc2Cl)c1F ZINC000324555929 971132702 /nfs/dbraw/zinc/13/27/02/971132702.db2.gz QWROKGVVGJIGQY-YVMONPNESA-N -1 0 337.709 3.968 20 0 EHADRM COc1ccc(Cl)cc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000324583317 971136147 /nfs/dbraw/zinc/13/61/47/971136147.db2.gz XWJMDFKPEITBED-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM Cc1ccccc1-c1noc(COc2ccc(C(=O)[O-])cc2Cl)n1 ZINC000324669722 971145695 /nfs/dbraw/zinc/14/56/95/971145695.db2.gz GLQYAFQTGIGLKZ-UHFFFAOYSA-N -1 0 344.754 3.976 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)Cc1coc2c1ccc(F)c2F ZINC001602148742 971156302 /nfs/dbraw/zinc/15/63/02/971156302.db2.gz JHTBJKNGKRHIBK-UHFFFAOYSA-N -1 0 345.301 3.519 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2cc3c(cccc3F)s2)cc1 ZINC000324812260 971159470 /nfs/dbraw/zinc/15/94/70/971159470.db2.gz PSBKXPZHJUJMTF-UHFFFAOYSA-N -1 0 345.351 3.756 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OCCCOc1ccccc1 ZINC000325007249 971175372 /nfs/dbraw/zinc/17/53/72/971175372.db2.gz DLIOXANZMCKEKT-PKNBQFBNSA-N -1 0 328.364 3.641 20 0 EHADRM CC(C)[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000325224632 971194826 /nfs/dbraw/zinc/19/48/26/971194826.db2.gz AQHAKXRGPQOQFC-HRCADAONSA-N -1 0 338.492 3.734 20 0 EHADRM O=C([O-])CC1(CNC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)CCCCC1 ZINC000325266079 971199588 /nfs/dbraw/zinc/19/95/88/971199588.db2.gz PEZUZTVQIBOOCV-STQMWFEESA-N -1 0 349.393 3.897 20 0 EHADRM Cc1ccccc1[C@@H](C)NC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000325422920 971214904 /nfs/dbraw/zinc/21/49/04/971214904.db2.gz IRRCIBDRXFFVNR-CABCVRRESA-N -1 0 332.444 3.588 20 0 EHADRM Cc1ccc(NC(=O)NC2(CC(=O)[O-])CCCC2)cc1C(F)(F)F ZINC000325517388 971222462 /nfs/dbraw/zinc/22/24/62/971222462.db2.gz PKXYBBUJJAPWPE-UHFFFAOYSA-N -1 0 344.333 3.923 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)C1CCC(C(F)(F)F)CC1 ZINC000326193215 971273805 /nfs/dbraw/zinc/27/38/05/971273805.db2.gz BCIQHDQPSJENSL-RUXDESIVSA-N -1 0 349.393 3.895 20 0 EHADRM CCc1cc(NC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)ccc1C ZINC000326244087 971276690 /nfs/dbraw/zinc/27/66/90/971276690.db2.gz MLLRAEMQGHHYNE-OAHLLOKOSA-N -1 0 332.444 3.912 20 0 EHADRM O=C([O-])C1(CNC(=O)c2cc3ccccc3c(Cl)n2)CCCCC1 ZINC000326474419 971297353 /nfs/dbraw/zinc/29/73/53/971297353.db2.gz UIWSPTYRLFRKCM-UHFFFAOYSA-N -1 0 346.814 3.653 20 0 EHADRM C[C@H](CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])CC(C)(C)C ZINC000326769859 971325990 /nfs/dbraw/zinc/32/59/90/971325990.db2.gz QSSAYQKZFQZGDO-DYVFJYSZSA-N -1 0 344.455 3.742 20 0 EHADRM COc1cc(NC(=O)c2oc3ccccc3c2C)ccc1C(=O)[O-] ZINC000327015945 971356676 /nfs/dbraw/zinc/35/66/76/971356676.db2.gz ZHYNCGJXSCPNME-UHFFFAOYSA-N -1 0 325.320 3.700 20 0 EHADRM CCOc1ccc(OCC)c(NC(=O)CC2(CC(=O)[O-])CCCC2)c1 ZINC000327046623 971360138 /nfs/dbraw/zinc/36/01/38/971360138.db2.gz WLFOLKLILAOIPR-UHFFFAOYSA-N -1 0 349.427 3.848 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000327054485 971361377 /nfs/dbraw/zinc/36/13/77/971361377.db2.gz VADKQOSBXBUJNX-UHFFFAOYSA-N -1 0 337.419 3.881 20 0 EHADRM CCCCC1CCC(C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)CC1 ZINC000327065932 971362562 /nfs/dbraw/zinc/36/25/62/971362562.db2.gz BHZVJXUIYKOXGD-JMLCCBQJSA-N -1 0 345.439 3.862 20 0 EHADRM CCC1CCC(CNC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)CC1 ZINC000327134987 971370061 /nfs/dbraw/zinc/37/00/61/971370061.db2.gz UDUSNXJTHPGBRJ-JMLCCBQJSA-N -1 0 344.455 3.596 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1occc1-c1ccccc1 ZINC000327418258 971398069 /nfs/dbraw/zinc/39/80/69/971398069.db2.gz YYHXFOIRYONRKC-UHFFFAOYSA-N -1 0 335.359 3.917 20 0 EHADRM COc1cc(NC(=O)COc2ccccc2C(C)C)ccc1C(=O)[O-] ZINC000327942315 971435662 /nfs/dbraw/zinc/43/56/62/971435662.db2.gz RASSJILWBXATJX-UHFFFAOYSA-N -1 0 343.379 3.534 20 0 EHADRM CCc1ccc(NC(=O)Cc2ccc(OC(F)F)cc2)c(C(=O)[O-])c1 ZINC000328003691 971439907 /nfs/dbraw/zinc/43/99/07/971439907.db2.gz JTOSWSNBEPNVLH-UHFFFAOYSA-N -1 0 349.333 3.730 20 0 EHADRM Cc1nnc(SCc2cccc(C(=O)[O-])c2)n1Cc1ccccc1 ZINC000013062014 948776128 /nfs/dbraw/zinc/77/61/28/948776128.db2.gz HMLWDJZYJSJXOC-UHFFFAOYSA-N -1 0 339.420 3.625 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000033463645 948802017 /nfs/dbraw/zinc/80/20/17/948802017.db2.gz OGXLLZRSQGFJMP-QGZVFWFLSA-N -1 0 327.380 3.708 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)CCSc1ccccc1F ZINC000037450629 948833986 /nfs/dbraw/zinc/83/39/86/948833986.db2.gz BDDKILAUFLHWCT-UHFFFAOYSA-N -1 0 325.386 3.706 20 0 EHADRM CCCN(C(=O)CCC(=O)[O-])[C@H](C)c1ccccc1Br ZINC000037832812 948843739 /nfs/dbraw/zinc/84/37/39/948843739.db2.gz MTFXOKWILNZDEP-LLVKDONJSA-N -1 0 342.233 3.614 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)c1sc2cc(F)ccc2c1Cl ZINC000037994097 948848210 /nfs/dbraw/zinc/84/82/10/948848210.db2.gz OPOJGDIBTFDDRQ-UHFFFAOYSA-N -1 0 329.780 3.629 20 0 EHADRM COc1cc(CNC(=O)c2ccc3sccc3c2)ccc1C(=O)[O-] ZINC000345992663 971519881 /nfs/dbraw/zinc/51/98/81/971519881.db2.gz JCGVCNSJQTZQFB-UHFFFAOYSA-N -1 0 341.388 3.538 20 0 EHADRM C[C@@H](C(=O)NC[C@@H](C(=O)[O-])c1ccccc1)c1cc2ccccc2o1 ZINC000345996219 971521203 /nfs/dbraw/zinc/52/12/03/971521203.db2.gz OHYRAILCELEHIE-CZUORRHYSA-N -1 0 337.375 3.521 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CC=C(c3ccc(F)cc3)CC2)s1 ZINC000347061167 971521221 /nfs/dbraw/zinc/52/12/21/971521221.db2.gz MALZTGCPCOFLTJ-UHFFFAOYSA-N -1 0 331.368 3.515 20 0 EHADRM O=C([O-])[C@H](CC1CC1)NC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000347518736 971526234 /nfs/dbraw/zinc/52/62/34/971526234.db2.gz MXAVDWCHJLLOSW-ZDUSSCGKSA-N -1 0 333.384 3.537 20 0 EHADRM CCO[C@@H](CCNC(=O)CC1(CC(=O)[O-])CCCC1)C1CCCC1 ZINC000352493054 971528550 /nfs/dbraw/zinc/52/85/50/971528550.db2.gz OBXGOHKCKVHTFI-INIZCTEOSA-N -1 0 339.476 3.513 20 0 EHADRM O=C([O-])c1coc(C(=O)NCCCc2ccc(Cl)cc2Cl)c1 ZINC000352385652 971528809 /nfs/dbraw/zinc/52/88/09/971528809.db2.gz KSFLDINYRYCTGH-UHFFFAOYSA-N -1 0 342.178 3.647 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)[C@H](CC)c1cccc(C(F)(F)F)c1 ZINC000351531937 971528983 /nfs/dbraw/zinc/52/89/83/971528983.db2.gz FOZGBJGQWGLORS-CYBMUJFWSA-N -1 0 331.334 3.522 20 0 EHADRM CCCCc1nc2cc(NC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)ccc2[nH]1 ZINC000353961123 971530543 /nfs/dbraw/zinc/53/05/43/971530543.db2.gz MRSPQWIRQMAPPA-CHWSQXEVSA-N -1 0 343.427 3.735 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2ccc(F)cc2F)C2CC2)c(F)c1 ZINC000358604324 971531442 /nfs/dbraw/zinc/53/14/42/971531442.db2.gz FIWAKRPYRXZHLS-UHFFFAOYSA-N -1 0 349.308 3.607 20 0 EHADRM Cc1oc(CN(C)C(=O)c2oc3ccccc3c2C)cc1C(=O)[O-] ZINC000362752816 971536935 /nfs/dbraw/zinc/53/69/35/971536935.db2.gz OUFODQADOIWQML-UHFFFAOYSA-N -1 0 327.336 3.613 20 0 EHADRM CC(C)[C@H]1CCC[C@H](Nc2nc(-c3nnn[n-]3)c(Cl)s2)C1 ZINC001574093601 949110184 /nfs/dbraw/zinc/11/01/84/949110184.db2.gz WLFDYHSRDKSQFN-IUCAKERBSA-N -1 0 326.857 3.603 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)N[C@@H](c2ccccc2C)C2CC2)C1 ZINC001589595349 949136727 /nfs/dbraw/zinc/13/67/27/949136727.db2.gz DPDQMRHUGYPQCJ-XLIONFOSSA-N -1 0 344.455 3.733 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N[C@@H](C)c1ccc(Cl)s1)C(=O)[O-] ZINC000094705489 949183576 /nfs/dbraw/zinc/18/35/76/949183576.db2.gz BGKFVJCNOXHOTQ-UWVGGRQHSA-N -1 0 332.853 3.509 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2ccccc2OC(F)(F)F)c1 ZINC000118041792 949234847 /nfs/dbraw/zinc/23/48/47/949234847.db2.gz DXEOJBJLHACZLC-UHFFFAOYSA-N -1 0 325.242 3.536 20 0 EHADRM CC[C@]1(C)Oc2ccc(NC(=O)C3(C(=O)[O-])C(C)(C)C3(C)C)cc2O1 ZINC001589610799 949321490 /nfs/dbraw/zinc/32/14/90/949321490.db2.gz NWCDWNSCVCKADB-GOSISDBHSA-N -1 0 347.411 3.660 20 0 EHADRM CC[C@@H]1CCCCCN1C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001589621042 949411713 /nfs/dbraw/zinc/41/17/13/949411713.db2.gz HAJMLRNJARBCFU-KBRIMQKVSA-N -1 0 330.428 3.664 20 0 EHADRM O=C([O-])c1cccc(C(=O)NCc2ccnc(Oc3ccccc3)c2)c1 ZINC001595241168 949456375 /nfs/dbraw/zinc/45/63/75/949456375.db2.gz AMFSRKLZAAXMNV-UHFFFAOYSA-N -1 0 348.358 3.502 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2ncccc2Oc2ccccc2)c1 ZINC001595244341 949494897 /nfs/dbraw/zinc/49/48/97/949494897.db2.gz BDVKMBCRMNZCQD-UHFFFAOYSA-N -1 0 348.358 3.502 20 0 EHADRM CC[C@H]1Cc2ccccc2CN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC001589627253 949506489 /nfs/dbraw/zinc/50/64/89/949506489.db2.gz KPMVGSOXRLYWFN-KRWDZBQOSA-N -1 0 338.407 3.683 20 0 EHADRM C[C@@](CNC(=O)c1cccc2ccccc21)(C(=O)[O-])c1ccccc1 ZINC000193104182 949521417 /nfs/dbraw/zinc/52/14/17/949521417.db2.gz QNIIYUDUFCEXMT-NRFANRHFSA-N -1 0 333.387 3.612 20 0 EHADRM O=C([O-])c1cccc(NCc2ccnc(Oc3ccc(F)cc3)c2)n1 ZINC001595251612 949560669 /nfs/dbraw/zinc/56/06/69/949560669.db2.gz MYQYTEQMGZVAPY-UHFFFAOYSA-N -1 0 339.326 3.718 20 0 EHADRM CCC[C@H](NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C(C)(C)C ZINC001589633522 949575479 /nfs/dbraw/zinc/57/54/79/949575479.db2.gz BQZGEHLYJKGOIQ-RQJABVFESA-N -1 0 326.481 3.636 20 0 EHADRM O=C([O-])c1ccccc1C[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC001595255531 949597872 /nfs/dbraw/zinc/59/78/72/949597872.db2.gz SZKNBWUQIDMZRF-UHFFFAOYSA-N -1 0 348.402 3.649 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)c1ccccc1Oc1ccncc1 ZINC001595256026 949615015 /nfs/dbraw/zinc/61/50/15/949615015.db2.gz MLABVIJQLNNBDT-UHFFFAOYSA-N -1 0 348.358 3.502 20 0 EHADRM CCCCn1c(SCCCC(=O)[O-])nnc1-c1ccc(OC)cc1 ZINC001589667130 949899827 /nfs/dbraw/zinc/89/98/27/949899827.db2.gz JESPEGUKRDVRLE-UHFFFAOYSA-N -1 0 349.456 3.711 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000236617700 949925851 /nfs/dbraw/zinc/92/58/51/949925851.db2.gz OREYSFHCBLADTK-SQNIBIBYSA-N -1 0 325.408 3.559 20 0 EHADRM CCCOc1ccc(CCC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000236794748 949937623 /nfs/dbraw/zinc/93/76/23/949937623.db2.gz IAODKFUWQCWNCW-KRWDZBQOSA-N -1 0 347.455 3.511 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000237324545 949956535 /nfs/dbraw/zinc/95/65/35/949956535.db2.gz CILWULIFYLUROK-WMLDXEAASA-N -1 0 335.419 3.640 20 0 EHADRM CCCN(Cc1c(F)cccc1Cl)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001589674342 949974873 /nfs/dbraw/zinc/97/48/73/949974873.db2.gz OQBQPACVOPWYBH-NWDGAFQWSA-N -1 0 341.810 3.719 20 0 EHADRM Cc1sc(-c2ccco2)nc1C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000237714502 949976036 /nfs/dbraw/zinc/97/60/36/949976036.db2.gz JZRFAMIFESDSMX-GFCCVEGCSA-N -1 0 348.424 3.571 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CCCC2)C1 ZINC000237955177 949983488 /nfs/dbraw/zinc/98/34/88/949983488.db2.gz MRJFTAPEXNXCMV-HNNXBMFYSA-N -1 0 347.430 3.741 20 0 EHADRM CCCOc1cccc(NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC001589684163 950059631 /nfs/dbraw/zinc/05/96/31/950059631.db2.gz MUJWGAWHUQRDLT-CQSZACIVSA-N -1 0 334.416 3.584 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)c1 ZINC000262473440 950132341 /nfs/dbraw/zinc/13/23/41/950132341.db2.gz ZJOWSKUVPZHJGG-GOEBONIOSA-N -1 0 345.345 3.724 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)c1 ZINC000262473446 950132355 /nfs/dbraw/zinc/13/23/55/950132355.db2.gz ZJOWSKUVPZHJGG-ZBFHGGJFSA-N -1 0 345.345 3.724 20 0 EHADRM CCC(CC)[C@H](NC(=O)N(C)C[C@@H](C)C(=O)[O-])c1cccs1 ZINC000262942286 950196527 /nfs/dbraw/zinc/19/65/27/950196527.db2.gz HMMWOAPFMNYWGQ-RISCZKNCSA-N -1 0 326.462 3.588 20 0 EHADRM C[C@@H](CC(=O)N1CCCC[C@H]1CCC(=O)[O-])c1ccc(F)cc1F ZINC000262954111 950198365 /nfs/dbraw/zinc/19/83/65/950198365.db2.gz NBYPZJGJMNUNDB-JSGCOSHPSA-N -1 0 339.382 3.704 20 0 EHADRM Cc1ccc(-c2ccc(C)c(NC(=O)N3CC[C@@H](C(=O)[O-])C3)c2)o1 ZINC000262986248 950207290 /nfs/dbraw/zinc/20/72/90/950207290.db2.gz CSSBLRHLDRMXEU-CQSZACIVSA-N -1 0 328.368 3.502 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1 ZINC000263081246 950249879 /nfs/dbraw/zinc/24/98/79/950249879.db2.gz HSWPCVWDLVEPJP-HUUCEWRRSA-N -1 0 348.443 3.686 20 0 EHADRM CCSc1cccc(F)c1NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263153928 950299103 /nfs/dbraw/zinc/29/91/03/950299103.db2.gz PUAAEACFQLUCPW-GHMZBOCLSA-N -1 0 340.420 3.512 20 0 EHADRM CCSc1cccc(F)c1NC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263153932 950299460 /nfs/dbraw/zinc/29/94/60/950299460.db2.gz PUAAEACFQLUCPW-WDEREUQCSA-N -1 0 340.420 3.512 20 0 EHADRM Cc1csc(C2(NC(=O)c3cc(C)cc(C(=O)[O-])c3)CCCC2)n1 ZINC000263179093 950310665 /nfs/dbraw/zinc/31/06/65/950310665.db2.gz GYPCQDOGDXBLTB-UHFFFAOYSA-N -1 0 344.436 3.657 20 0 EHADRM CCN(C(=O)c1cccc(OCc2cccc(C)c2)c1)[C@H](C)C(=O)[O-] ZINC001589711055 950325955 /nfs/dbraw/zinc/32/59/55/950325955.db2.gz IKJILHFCGJEJKH-OAHLLOKOSA-N -1 0 341.407 3.509 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263302526 950358414 /nfs/dbraw/zinc/35/84/14/950358414.db2.gz GTOHFZUCHXQPHN-KWCYVHTRSA-N -1 0 344.411 3.554 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccccc2Nc2ccccc2)C1 ZINC000263393608 950434148 /nfs/dbraw/zinc/43/41/48/950434148.db2.gz ZCMWBXZDQCDXNG-GJZGRUSLSA-N -1 0 338.407 3.613 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CC=C(c2ccccc2Cl)CC1 ZINC001602847864 971685912 /nfs/dbraw/zinc/68/59/12/971685912.db2.gz YWZUTMYQYKOEMJ-HNNXBMFYSA-N -1 0 335.831 3.703 20 0 EHADRM C[C@H](NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC000315973407 950861567 /nfs/dbraw/zinc/86/15/67/950861567.db2.gz YMTZOIRVFQWMAJ-NGZCFLSTSA-N -1 0 345.226 3.607 20 0 EHADRM CCOC(=O)[C@]12CCC[C@H]1C[C@H](Nc1cccc(CCC(=O)[O-])c1)C2 ZINC001590180391 950876596 /nfs/dbraw/zinc/87/65/96/950876596.db2.gz ZYGXTEFUOGVUAR-KNBMTAEXSA-N -1 0 345.439 3.628 20 0 EHADRM O=C([O-])CC1(C(=O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)CCC1 ZINC001594972967 950878033 /nfs/dbraw/zinc/87/80/33/950878033.db2.gz DTRKZDRJXUDQDC-INIZCTEOSA-N -1 0 331.387 3.523 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1c(F)cccc1Cl)CC(=O)[O-] ZINC000317748470 950914343 /nfs/dbraw/zinc/91/43/43/950914343.db2.gz NYBUNYJHKHVCAY-JTQLQIEISA-N -1 0 330.787 3.738 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2cc3c(s2)CCCCC3)c1 ZINC000319649416 950965097 /nfs/dbraw/zinc/96/50/97/950965097.db2.gz APZHUEFBVFDULP-UHFFFAOYSA-N -1 0 329.421 3.645 20 0 EHADRM Cc1ccc(SCCC(=O)Nc2ncccc2C(=O)[O-])cc1C ZINC000320552103 950993277 /nfs/dbraw/zinc/99/32/77/950993277.db2.gz IOSVULPOOVRDRZ-UHFFFAOYSA-N -1 0 330.409 3.518 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1C)C(=O)[O-] ZINC000320852156 951005724 /nfs/dbraw/zinc/00/57/24/951005724.db2.gz DCLOQTLEXVGVJA-UFBFGSQYSA-N -1 0 332.322 3.635 20 0 EHADRM N#Cc1cc(F)c(Oc2cccc(C(=O)[O-])c2)cc1Br ZINC000380643749 971711045 /nfs/dbraw/zinc/71/10/45/971711045.db2.gz XKQGCEFPPXWNIZ-UHFFFAOYSA-N -1 0 336.116 3.950 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)/C=C\c1ccccc1F ZINC000323886826 951055551 /nfs/dbraw/zinc/05/55/51/951055551.db2.gz MEVLFGBWNAYVFG-NTMALXAHSA-N -1 0 325.339 3.517 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000324976472 951077376 /nfs/dbraw/zinc/07/73/76/951077376.db2.gz PTTUZIUNBWRWCN-UHFFFAOYSA-N -1 0 348.296 3.563 20 0 EHADRM CC(C)[C@@H](CNC(=O)Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)[O-] ZINC000327027864 951107056 /nfs/dbraw/zinc/10/70/56/951107056.db2.gz FKCKFBKITKWDMX-GOSISDBHSA-N -1 0 338.407 3.736 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)CCc1ccc(Cl)s1)C(=O)[O-] ZINC001602860958 971716890 /nfs/dbraw/zinc/71/68/90/971716890.db2.gz HZESCYATLIKOOR-NSHDSACASA-N -1 0 331.865 3.730 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cccc(OCc3ccccc3)c2)C1 ZINC000328436375 951126968 /nfs/dbraw/zinc/12/69/68/951126968.db2.gz WGKCLIBVGJBPRM-JKSUJKDBSA-N -1 0 339.391 3.705 20 0 EHADRM CC(C)Cc1ccc(CC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000347525272 951132776 /nfs/dbraw/zinc/13/27/76/951132776.db2.gz SICDRSBKTIEXGH-SFHVURJKSA-N -1 0 331.456 3.674 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000364201651 951139531 /nfs/dbraw/zinc/13/95/31/951139531.db2.gz OZCCXXJPOCMXDP-OAHLLOKOSA-N -1 0 347.455 3.599 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)c1cccc2cc(O)ccc21)C(=O)[O-] ZINC001602861262 971719639 /nfs/dbraw/zinc/71/96/39/971719639.db2.gz PAHNYDBRVQRSOS-INIZCTEOSA-N -1 0 329.396 3.555 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001602861396 971720333 /nfs/dbraw/zinc/72/03/33/971720333.db2.gz VVYZFSOLOIIAAQ-CYBMUJFWSA-N -1 0 345.361 3.644 20 0 EHADRM CC(C)C[C@H](CNC(=O)N[C@H](C)[C@H]1CC2CCC1CC2)CC(=O)[O-] ZINC000381487370 951209557 /nfs/dbraw/zinc/20/95/57/951209557.db2.gz GPPMTGISRYKGNA-NCSWOWMGSA-N -1 0 338.492 3.637 20 0 EHADRM CC(C)(C)CC[C@@H](Nc1ncc(Br)cc1F)C(=O)[O-] ZINC001602861862 971725915 /nfs/dbraw/zinc/72/59/15/971725915.db2.gz QBGFMHSFRGWELJ-SNVBAGLBSA-N -1 0 333.201 3.675 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1ccsc1C(F)(F)F ZINC001595012129 951253850 /nfs/dbraw/zinc/25/38/50/951253850.db2.gz ONFADLIDMZGMCC-VIFPVBQESA-N -1 0 335.347 3.626 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])c1ccnc(CSc2ccccc2)n1 ZINC001602867548 971731958 /nfs/dbraw/zinc/73/19/58/971731958.db2.gz UMICNWQTJVJXCG-UHFFFAOYSA-N -1 0 345.468 3.706 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)Nc2ccc(Cl)cc2F)C1 ZINC000386773180 951302363 /nfs/dbraw/zinc/30/23/63/951302363.db2.gz AYHLUKDZWDPWKF-SNVBAGLBSA-N -1 0 328.771 3.588 20 0 EHADRM CC[C@H](C)N(Cc1ccccc1)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000387436874 951318079 /nfs/dbraw/zinc/31/80/79/951318079.db2.gz YFAYPQZQYLVRTN-ZDUSSCGKSA-N -1 0 327.384 3.612 20 0 EHADRM O=C([O-])CCCC(=O)N(Cc1ccccn1)c1ccc(Cl)cc1 ZINC001595024899 951336433 /nfs/dbraw/zinc/33/64/33/951336433.db2.gz QRCNRRKPSOCGKM-UHFFFAOYSA-N -1 0 332.787 3.523 20 0 EHADRM CCOc1ccc(Cl)c(NC(=O)c2coc(/C=C\C(=O)[O-])c2)c1 ZINC001592663078 951342590 /nfs/dbraw/zinc/34/25/90/951342590.db2.gz CWXSSHYQDYTUTJ-XQRVVYSFSA-N -1 0 335.743 3.682 20 0 EHADRM O=C([O-])CCCC(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 ZINC001595028382 951359662 /nfs/dbraw/zinc/35/96/62/951359662.db2.gz CNLDZHLOWRUGHA-UHFFFAOYSA-N -1 0 338.363 3.612 20 0 EHADRM O=C([O-])CCCC(=O)Nc1ccccc1NCCc1ccccc1 ZINC001595028710 951363050 /nfs/dbraw/zinc/36/30/50/951363050.db2.gz KTNJNTIYZHICSQ-UHFFFAOYSA-N -1 0 326.396 3.535 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCC([C@@H](F)c2ccccc2F)CC1 ZINC001595031194 951368513 /nfs/dbraw/zinc/36/85/13/951368513.db2.gz GGFPEMVESTVQGY-GOSISDBHSA-N -1 0 339.382 3.720 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2ccccc2)c2ccccn2)cc1 ZINC001595214345 952366218 /nfs/dbraw/zinc/36/62/18/952366218.db2.gz WOKXVWHKFBRKFD-UHFFFAOYSA-N -1 0 332.359 3.627 20 0 EHADRM CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CSCCC(=O)[O-])CC1 ZINC001602904826 971842947 /nfs/dbraw/zinc/84/29/47/971842947.db2.gz DBKXDRAAUCDUAO-JOCQHMNTSA-N -1 0 331.478 3.525 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)/C(F)=C/c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001593610282 953466780 /nfs/dbraw/zinc/46/67/80/953466780.db2.gz JGJMUAKJXJMIEG-SCKSMKOWSA-N -1 0 347.308 3.631 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)/C(F)=C\c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001593610281 953467169 /nfs/dbraw/zinc/46/71/69/953467169.db2.gz JGJMUAKJXJMIEG-FFVMJPMASA-N -1 0 347.308 3.631 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000431207099 953500406 /nfs/dbraw/zinc/50/04/06/953500406.db2.gz GCLIUPWSLZYCFT-LBPRGKRZSA-N -1 0 331.799 3.533 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N[C@H]2CCc3ccc(Cl)cc32)cc1 ZINC001594769160 953550298 /nfs/dbraw/zinc/55/02/98/953550298.db2.gz RZEWAANNLVXUEJ-INIZCTEOSA-N -1 0 344.798 3.525 20 0 EHADRM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2ccnc(C(=O)[O-])c2)C1 ZINC001589291556 953605727 /nfs/dbraw/zinc/60/57/27/953605727.db2.gz LFUCHLLHCTXARB-MEDUHNTESA-N -1 0 343.358 3.534 20 0 EHADRM CCc1ccc([C@H]2CCCCCN2C(=O)NC[C@@H](CC)C(=O)[O-])o1 ZINC001593637286 953616342 /nfs/dbraw/zinc/61/63/42/953616342.db2.gz RHNVSEPTBLNHMQ-UKRRQHHQSA-N -1 0 336.432 3.580 20 0 EHADRM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)NCC2(C(=O)[O-])CCC2)o1 ZINC001593637342 953617892 /nfs/dbraw/zinc/61/78/92/953617892.db2.gz SXFLHRNHNAWEES-UKRRQHHQSA-N -1 0 348.443 3.580 20 0 EHADRM CCc1ccc([C@H]2CCCN(C(=O)[C@@H](C(=O)[O-])C(C)(C)C)C2)cc1 ZINC001593637397 953618176 /nfs/dbraw/zinc/61/81/76/953618176.db2.gz VUVDISUKIZXLMH-IRXDYDNUSA-N -1 0 331.456 3.702 20 0 EHADRM O=C([O-])CC1(C(=O)NCC2CCC(c3ccccc3)CC2)CCC1 ZINC000566300508 953625672 /nfs/dbraw/zinc/62/56/72/953625672.db2.gz HKFYEALNPGRVSL-UHFFFAOYSA-N -1 0 329.440 3.722 20 0 EHADRM CC[C@H](NC(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1cccc(Cl)c1 ZINC000566608070 953627800 /nfs/dbraw/zinc/62/78/00/953627800.db2.gz DTBFJCSTYFLICX-WFASDCNBSA-N -1 0 338.835 3.687 20 0 EHADRM CCc1ccc(OC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)c(C(C)(C)C)c1 ZINC001593638727 953631080 /nfs/dbraw/zinc/63/10/80/953631080.db2.gz DSSLKRPIPCXNEB-LSDHHAIUSA-N -1 0 348.439 3.722 20 0 EHADRM C[C@@H]1CCN(c2nc3cc(Cl)cc(Cl)c3o2)C[C@H]1C(=O)[O-] ZINC000567866596 953636429 /nfs/dbraw/zinc/63/64/29/953636429.db2.gz ZNKAFGPASONPEJ-VXNVDRBHSA-N -1 0 329.183 3.682 20 0 EHADRM O=C([O-])CC1(C(=O)N2CCc3c(Cl)cc(Cl)cc3C2)CCC1 ZINC000572841744 953670728 /nfs/dbraw/zinc/67/07/28/953670728.db2.gz AZPHBIMDZGJUIE-UHFFFAOYSA-N -1 0 342.222 3.523 20 0 EHADRM C[C@H]1CC[C@H](C(=O)Nc2cc(C(=O)[O-])ccc2Br)C1 ZINC001589299854 953684509 /nfs/dbraw/zinc/68/45/09/953684509.db2.gz OFEKBERKKAHAOI-IUCAKERBSA-N -1 0 326.190 3.522 20 0 EHADRM Cc1cccc([C@H](NC(=O)N2CCC(C)(C(=O)[O-])CC2)C(C)C)c1 ZINC000626776682 953819600 /nfs/dbraw/zinc/81/96/00/953819600.db2.gz ARQAYTUFERNPQD-MRXNPFEDSA-N -1 0 332.444 3.588 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N[C@@H](C(F)F)C1CCCCC1 ZINC001594810998 953819802 /nfs/dbraw/zinc/81/98/02/953819802.db2.gz RBXMAXGWBYPGGR-CYBMUJFWSA-N -1 0 326.343 3.720 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)NCc1ccccc1Oc1cccc(F)c1 ZINC001602969871 971963795 /nfs/dbraw/zinc/96/37/95/971963795.db2.gz GDLXYSWQDSYQQG-KRWDZBQOSA-N -1 0 345.370 3.591 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(-c3ccco3)cc2F)CC[C@@H]1C(=O)[O-] ZINC000630568219 953866470 /nfs/dbraw/zinc/86/64/70/953866470.db2.gz ORGFITDBWMMKJD-AAEUAGOBSA-N -1 0 346.358 3.660 20 0 EHADRM C[C@H]1CCCN(C(=O)CCCCCc2ccc(F)cc2)[C@@H]1C(=O)[O-] ZINC001589325233 953897410 /nfs/dbraw/zinc/89/74/10/953897410.db2.gz BHHOHCCEKXCKRE-KSSFIOAISA-N -1 0 335.419 3.640 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1C(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000648042930 953984897 /nfs/dbraw/zinc/98/48/97/953984897.db2.gz MGGFVWPFGVOTEI-KRWDZBQOSA-N -1 0 343.354 3.697 20 0 EHADRM O=C([O-])[C@@H](C(=O)NCC1(c2ccccc2)CCCCCC1)C1CC1 ZINC001594833761 954007648 /nfs/dbraw/zinc/00/76/48/954007648.db2.gz MSRMUKWUNKXMJW-QGZVFWFLSA-N -1 0 329.440 3.506 20 0 EHADRM C[C@@H]1CCN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)[C@H]1c1ccccc1 ZINC001589338493 954017512 /nfs/dbraw/zinc/01/75/12/954017512.db2.gz ZOXDNPIPSXPPSG-MJYMGPRWSA-N -1 0 325.364 3.601 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2F)C[C@@H]1C(=O)[O-] ZINC001589343250 954030043 /nfs/dbraw/zinc/03/00/43/954030043.db2.gz CBMBHFHXODKFMG-APPZFPTMSA-N -1 0 349.189 3.707 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1nc(Cc2ccccc2)cs1)C1CCCC1 ZINC001594837232 954036591 /nfs/dbraw/zinc/03/65/91/954036591.db2.gz CUJNIXMXJHJYPV-HNNXBMFYSA-N -1 0 344.436 3.563 20 0 EHADRM C[C@@H]1CCN(C(=O)N[C@@H]2CCC(C)(C)c3ccccc32)C[C@H]1C(=O)[O-] ZINC001589344568 954043137 /nfs/dbraw/zinc/04/31/37/954043137.db2.gz DYBSTCNMCSFYDT-FRFSOERESA-N -1 0 344.455 3.551 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1nc(-c2ccc(Cl)s2)cs1)C1CC1 ZINC001594838091 954046426 /nfs/dbraw/zinc/04/64/26/954046426.db2.gz VFZUTJGJAYSCRV-JTQLQIEISA-N -1 0 342.829 3.574 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Oc1ccc(-c2cccnc2)cc1Cl ZINC001602974372 971983176 /nfs/dbraw/zinc/98/31/76/971983176.db2.gz GUSDGRQENDTLLN-HNNXBMFYSA-N -1 0 333.771 3.664 20 0 EHADRM CN(Cc1csc2ccccc12)C(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC000653281606 954093947 /nfs/dbraw/zinc/09/39/47/954093947.db2.gz RGANKCZULYLCMY-GOSISDBHSA-N -1 0 329.421 3.671 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)cc1 ZINC000653295331 954103439 /nfs/dbraw/zinc/10/34/39/954103439.db2.gz MDSPCYMKWDRXJY-LJQANCHMSA-N -1 0 329.396 3.665 20 0 EHADRM O=C([O-])C1(C(=O)N(CCc2ccc(Cl)cc2)CC2CC2)CC=CC1 ZINC001594844148 954116612 /nfs/dbraw/zinc/11/66/12/954116612.db2.gz MDCNHSWAZORGKD-UHFFFAOYSA-N -1 0 347.842 3.542 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)CCc2cccc(Cl)c2)c2ccccc21 ZINC000653333295 954164214 /nfs/dbraw/zinc/16/42/14/954164214.db2.gz NNKZEUBRWMJJQY-IAGOWNOFSA-N -1 0 343.810 3.702 20 0 EHADRM CCc1sc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1C ZINC000653333671 954165676 /nfs/dbraw/zinc/16/56/76/954165676.db2.gz RRIYTTIVSIAGPF-KGLIPLIRSA-N -1 0 329.421 3.662 20 0 EHADRM CCCOc1cccc(NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000653535499 954182845 /nfs/dbraw/zinc/18/28/45/954182845.db2.gz UMAIOMYKDOLFNI-VBNZEHGJSA-N -1 0 348.443 3.732 20 0 EHADRM CC(C)[C@H](C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655585363 954226766 /nfs/dbraw/zinc/22/67/66/954226766.db2.gz WRINOMJUFCWGBQ-LLLHUVSDSA-N -1 0 331.456 3.678 20 0 EHADRM C[C@H](CC(=O)N(CC(=O)[O-])C1CCC1)c1cccc(C(F)(F)F)c1 ZINC000655590493 954230051 /nfs/dbraw/zinc/23/00/51/954230051.db2.gz KCSSLQLULLHSIS-LLVKDONJSA-N -1 0 343.345 3.665 20 0 EHADRM C[C@@H](CNC(=O)N(Cc1ccccc1)[C@@H](C)c1ccccc1)C(=O)[O-] ZINC000655880549 954265789 /nfs/dbraw/zinc/26/57/89/954265789.db2.gz BPBIAEFLBQDOLV-HOTGVXAUSA-N -1 0 340.423 3.680 20 0 EHADRM CN(CC1CCCCC1)C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001593726806 954282468 /nfs/dbraw/zinc/28/24/68/954282468.db2.gz ZCORASSQAQPJSC-IRXDYDNUSA-N -1 0 330.428 3.521 20 0 EHADRM CC(C)[C@@H]1CCCN(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1 ZINC000655905313 954288116 /nfs/dbraw/zinc/28/81/16/954288116.db2.gz TVWDBAKDVVJSAX-XUWVNRHRSA-N -1 0 338.492 3.590 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1c(Cl)ccc(Cl)c1Cl)C(=O)[O-] ZINC001602983234 972005100 /nfs/dbraw/zinc/00/51/00/972005100.db2.gz JPEYOKBZTKZMNL-SSDOTTSWSA-N -1 0 338.618 3.733 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(-c3nncs3)cc2)CCCCCC1 ZINC001594869725 954340421 /nfs/dbraw/zinc/34/04/21/954340421.db2.gz CRJRYMBOZFVJQX-UHFFFAOYSA-N -1 0 345.424 3.569 20 0 EHADRM C[C@H](CNC(=O)C1(C(=O)[O-])CC=CC1)c1c(Cl)cccc1Cl ZINC000663033154 954406996 /nfs/dbraw/zinc/40/69/96/954406996.db2.gz JMMIQCAHYVGANW-SNVBAGLBSA-N -1 0 342.222 3.634 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1 ZINC000663035177 954409040 /nfs/dbraw/zinc/40/90/40/954409040.db2.gz WBGGTXPWXVPNAR-CQSZACIVSA-N -1 0 329.400 3.516 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000663085537 954464740 /nfs/dbraw/zinc/46/47/40/954464740.db2.gz HCIJQYLWBXAAGI-IBGZPJMESA-N -1 0 340.379 3.658 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000663095481 954477909 /nfs/dbraw/zinc/47/79/09/954477909.db2.gz NOIOTGLYQTVHIE-HNNXBMFYSA-N -1 0 328.368 3.559 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2nc(-c3ccccc3)cs2)CC1 ZINC000663128467 954519180 /nfs/dbraw/zinc/51/91/80/954519180.db2.gz GONNZTOSAMLVNI-UHFFFAOYSA-N -1 0 344.436 3.527 20 0 EHADRM CCCc1nsc(N2CCC(c3ccccc3C(=O)[O-])CC2)n1 ZINC000668167600 954565725 /nfs/dbraw/zinc/56/57/25/954565725.db2.gz GYHFVZBBZBWXDE-UHFFFAOYSA-N -1 0 331.441 3.573 20 0 EHADRM COc1c(C)cc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)cc1C ZINC000669434797 954569467 /nfs/dbraw/zinc/56/94/67/954569467.db2.gz YPRJSXVAWLPHKM-MRXNPFEDSA-N -1 0 339.391 3.531 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)C1(Cc2cccc(F)c2)CCCCC1 ZINC001589432903 954660534 /nfs/dbraw/zinc/66/05/34/954660534.db2.gz RSFOPKQWNVFUIO-INIZCTEOSA-N -1 0 335.419 3.640 20 0 EHADRM C[C@@H](CCC(C)(C)C)NC(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000386172638 972034445 /nfs/dbraw/zinc/03/44/45/972034445.db2.gz ZEACZRZJFKLSNU-ZDUSSCGKSA-N -1 0 332.444 3.667 20 0 EHADRM CCC(C)(C)c1ccc(CNC(=O)C2(C(=O)[O-])CCSCC2)cc1 ZINC001589452590 954812643 /nfs/dbraw/zinc/81/26/43/954812643.db2.gz YQSLQPJBYYQIGF-UHFFFAOYSA-N -1 0 349.496 3.588 20 0 EHADRM CC(C)[C@@H]1c2ccccc2CCN1C(=O)Nc1cccnc1C(=O)[O-] ZINC001603002601 972047072 /nfs/dbraw/zinc/04/70/72/972047072.db2.gz AGKKSHGXKACFTQ-QGZVFWFLSA-N -1 0 339.395 3.567 20 0 EHADRM CC[C@H](CC(F)(F)F)NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001589466775 954910409 /nfs/dbraw/zinc/91/04/09/954910409.db2.gz JIXVWACMZLAYHZ-LLVKDONJSA-N -1 0 332.322 3.556 20 0 EHADRM O=C([O-])C1CN(C(=O)c2ccc(Sc3ccc(Cl)cc3)cc2)C1 ZINC001594951284 954950997 /nfs/dbraw/zinc/95/09/97/954950997.db2.gz PBDYLJKXCSWIAQ-UHFFFAOYSA-N -1 0 347.823 3.648 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1cc(C)n(-c2ccccc2Cl)n1 ZINC001589477921 954964812 /nfs/dbraw/zinc/96/48/12/954964812.db2.gz PHVMRHCYJKXUHI-UHFFFAOYSA-N -1 0 349.818 3.664 20 0 EHADRM CCC(CC)(CNC(=O)N1CCC(C)(C)CC(C)(C)C1)C(=O)[O-] ZINC001589489137 955004870 /nfs/dbraw/zinc/00/48/70/955004870.db2.gz DEKACEFCXSCNSM-UHFFFAOYSA-N -1 0 326.481 3.735 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)N2CC3(CCCC3)[C@H]2c2ccco2)co1 ZINC001594964032 955032778 /nfs/dbraw/zinc/03/27/78/955032778.db2.gz BVEVRJDHUYBINA-KEGWNNHHSA-N -1 0 341.363 3.728 20 0 EHADRM CCC(CC)CC(=O)Nc1scc(-c2cnn(C)c2)c1C(=O)[O-] ZINC001589509379 955042903 /nfs/dbraw/zinc/04/29/03/955042903.db2.gz OUJISERTRFWZPW-UHFFFAOYSA-N -1 0 335.429 3.612 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1Cc1ccc(Cl)nc1Cl ZINC001594965895 955053399 /nfs/dbraw/zinc/05/33/99/955053399.db2.gz XRZWBLMXXHNFAF-AWEZNQCLSA-N -1 0 337.206 3.572 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)NCCCCCc2ccccc2)co1 ZINC001594969649 955094212 /nfs/dbraw/zinc/09/42/12/955094212.db2.gz JRGKQEFLVGALHG-ZHACJKMWSA-N -1 0 327.380 3.520 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)NCC2(c3ccccc3)CCCC2)co1 ZINC001594969610 955094658 /nfs/dbraw/zinc/09/46/58/955094658.db2.gz JAAJXKVJRSDQAR-CMDGGOBGSA-N -1 0 339.391 3.619 20 0 EHADRM CC[C@@H](CNC(=O)Nc1cccc(C(=O)[O-])c1)Oc1cccc(C)c1 ZINC001589545988 955199283 /nfs/dbraw/zinc/19/92/83/955199283.db2.gz NSTBJPQNMWIZFM-INIZCTEOSA-N -1 0 342.395 3.672 20 0 EHADRM CC(C)(NC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC000737597359 955221787 /nfs/dbraw/zinc/22/17/87/955221787.db2.gz IXEPSFKMDAGCGK-UHFFFAOYSA-N -1 0 347.798 3.512 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000769528518 955321674 /nfs/dbraw/zinc/32/16/74/955321674.db2.gz VAVKKMCCWARBQS-ISEXYEMMSA-N -1 0 345.439 3.590 20 0 EHADRM Cc1cc(C(=O)[O-])c(NC(=O)[C@H](C)Oc2cccc(Cl)c2)s1 ZINC000387030038 972098257 /nfs/dbraw/zinc/09/82/57/972098257.db2.gz FJRKUISDPOJDRZ-VIFPVBQESA-N -1 0 339.800 3.814 20 0 EHADRM C[C@](CNC(=O)/C=C/C1CCCCCC1)(C(=O)[O-])c1ccccc1 ZINC001589045124 955623076 /nfs/dbraw/zinc/62/30/76/955623076.db2.gz WAEIPRQSNKRFTC-FBRRREGBSA-N -1 0 329.440 3.672 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccccc1C(=O)[O-])Oc1cccc(Cl)c1 ZINC001589058336 955716199 /nfs/dbraw/zinc/71/61/99/955716199.db2.gz XUHUKJMARFUUKA-NSHDSACASA-N -1 0 348.786 3.627 20 0 EHADRM C[C@H](CSc1ccccc1)N(C)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001589077086 955829938 /nfs/dbraw/zinc/82/99/38/955829938.db2.gz PVJAYJPFMUNQJL-YGNAEDSMSA-N -1 0 345.420 3.630 20 0 EHADRM C[C@@H](Cc1ccccc1F)NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001589080661 955849678 /nfs/dbraw/zinc/84/96/78/955849678.db2.gz LJNCJDDTVITXOI-ZDUSSCGKSA-N -1 0 344.386 3.596 20 0 EHADRM C[C@H](CCc1ccc(F)cc1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000864126990 955951630 /nfs/dbraw/zinc/95/16/30/955951630.db2.gz WYFDUADQZOIWKO-CYBMUJFWSA-N -1 0 329.371 3.660 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000864131393 955955213 /nfs/dbraw/zinc/95/52/13/955955213.db2.gz VNHGRBKGIWKDKU-FQEVSTJZSA-N -1 0 331.456 3.605 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)C1CC(c2ccc(F)cc2)C1 ZINC000872712326 956059853 /nfs/dbraw/zinc/05/98/53/956059853.db2.gz LEJJYNRCVWQEHT-UHFFFAOYSA-N -1 0 327.355 3.585 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)Nc2ccc([C@@H](F)C(F)(F)F)cc2)C1 ZINC000887394532 956259360 /nfs/dbraw/zinc/25/93/60/956259360.db2.gz UPBKTOCSFRHCEI-ADEWGFFLSA-N -1 0 348.296 3.634 20 0 EHADRM Cc1oc(-c2ccccc2)cc1C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000901655055 956405469 /nfs/dbraw/zinc/40/54/69/956405469.db2.gz KTCYANSRJUYCKD-DOMZBBRYSA-N -1 0 327.380 3.580 20 0 EHADRM C[C@H](Sc1nc2c(F)cccc2cc1Br)C(=O)[O-] ZINC001589173201 956475374 /nfs/dbraw/zinc/47/53/74/956475374.db2.gz UQEMXRFQVOQGMO-LURJTMIESA-N -1 0 330.178 3.702 20 0 EHADRM CC(C)c1oc(-c2ccccc2)nc1-c1nc([C@H](C)C(=O)[O-])no1 ZINC001603115028 972193997 /nfs/dbraw/zinc/19/39/97/972193997.db2.gz LRXJTASUMFWOBJ-JTQLQIEISA-N -1 0 327.340 3.703 20 0 EHADRM CSCCCCCCC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000902016874 956607827 /nfs/dbraw/zinc/60/78/27/956607827.db2.gz MWBWKRGWLPGHGM-HZPDHXFCSA-N -1 0 335.469 3.729 20 0 EHADRM C[C@@H](CC(=O)Nc1cncc(C(=O)[O-])c1)Cc1ccc(Cl)cc1 ZINC001603120706 972204873 /nfs/dbraw/zinc/20/48/73/972204873.db2.gz NYZKIWLLXAGPSY-LLVKDONJSA-N -1 0 332.787 3.641 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N(Cc1ccccc1F)CC1CC1 ZINC001589200820 956633618 /nfs/dbraw/zinc/63/36/18/956633618.db2.gz DNMAQXMFJQGNFF-UHFFFAOYSA-N -1 0 347.430 3.701 20 0 EHADRM O=C(/C=C\c1ccc2[nH]ccc2c1)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001594675210 956652750 /nfs/dbraw/zinc/65/27/50/956652750.db2.gz QLZQAKJNUULDDZ-KQMYVOCESA-N -1 0 346.386 3.611 20 0 EHADRM O=C(/C=C\c1ccc2[nH]ccc2c1)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001594675209 956652907 /nfs/dbraw/zinc/65/29/07/956652907.db2.gz QLZQAKJNUULDDZ-KMEOJIRZSA-N -1 0 346.386 3.611 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NCCCc1cccc(Cl)c1 ZINC001589204636 956654578 /nfs/dbraw/zinc/65/45/78/956654578.db2.gz KKUUBFOHOQBIOB-UHFFFAOYSA-N -1 0 337.847 3.526 20 0 EHADRM C[C@H](CC(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21)n1cccc1 ZINC001603120036 972202510 /nfs/dbraw/zinc/20/25/10/972202510.db2.gz AKQNXMWZNLBBPE-CVEARBPZSA-N -1 0 340.423 3.510 20 0 EHADRM O=C([O-])c1cc(NC(=O)/C=C\c2csc(C(F)(F)F)c2)ccn1 ZINC001594676035 956665644 /nfs/dbraw/zinc/66/56/44/956665644.db2.gz SZNWPJMAEKDZCE-UPHRSURJSA-N -1 0 342.298 3.512 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)Nc1cnc2c(ccc(F)c2F)c1 ZINC001589206970 956673134 /nfs/dbraw/zinc/67/31/34/956673134.db2.gz PWXOFJUHKMRTBV-UHFFFAOYSA-N -1 0 348.349 3.589 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)CCc2ccc(C(F)F)cc2)cc1 ZINC001594687934 956721060 /nfs/dbraw/zinc/72/10/60/956721060.db2.gz RFRRNXNLIRJZTG-UHFFFAOYSA-N -1 0 333.334 3.571 20 0 EHADRM O=C([O-])c1cccc(NC(=O)CCc2cccc(OC(F)F)c2)c1 ZINC001594689356 956737121 /nfs/dbraw/zinc/73/71/21/956737121.db2.gz OFOZFCXQBWUWNX-UHFFFAOYSA-N -1 0 335.306 3.558 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1ccc(COc2ccccc2)cc1 ZINC001589220070 956762949 /nfs/dbraw/zinc/76/29/49/956762949.db2.gz UXRPWVAAMAOMSJ-HXUWFJFHSA-N -1 0 339.391 3.705 20 0 EHADRM CC1(C)CCC(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)CC1 ZINC001589221041 956775534 /nfs/dbraw/zinc/77/55/34/956775534.db2.gz OGVJQHJEGQCPCG-DLBZAZTESA-N -1 0 329.440 3.530 20 0 EHADRM CC1(C)CC[C@H](NC(=O)[C@]2(C(=O)[O-])CC=CCC2)c2ccccc21 ZINC001589225183 956787118 /nfs/dbraw/zinc/78/71/18/956787118.db2.gz UJHDVOLSNABCMU-JXFKEZNVSA-N -1 0 327.424 3.726 20 0 EHADRM O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)CC2CCSCC2)C1 ZINC000902820319 956808451 /nfs/dbraw/zinc/80/84/51/956808451.db2.gz AWTDSNWMYNWEMO-OAHLLOKOSA-N -1 0 347.480 3.590 20 0 EHADRM CC(C)n1cnc(-c2ccc(Cl)cc2)c1NC(=O)CCC(=O)[O-] ZINC000902869504 956830333 /nfs/dbraw/zinc/83/03/33/956830333.db2.gz XUVWYADSKJFWIG-UHFFFAOYSA-N -1 0 335.791 3.588 20 0 EHADRM CC(=O)OCCCc1cccc(NCc2ccc(C(=O)[O-])s2)c1 ZINC000903682856 956861723 /nfs/dbraw/zinc/86/17/23/956861723.db2.gz BUKYPDGAXKSUSP-UHFFFAOYSA-N -1 0 333.409 3.554 20 0 EHADRM C[C@]1(CCNC(=O)Nc2ccc(C(=O)[O-])cc2F)CC1(Cl)Cl ZINC001589239894 956870794 /nfs/dbraw/zinc/87/07/94/956870794.db2.gz ULBSVFQWFWPBKC-ZDUSSCGKSA-N -1 0 349.189 3.619 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CC[C@](C)(CCc2ccccc2)C1 ZINC001589240969 956887183 /nfs/dbraw/zinc/88/71/83/956887183.db2.gz FABAFJSGUVGHIE-JXFKEZNVSA-N -1 0 331.456 3.605 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OCCOc1ccc(C)cc1 ZINC000011830358 956894049 /nfs/dbraw/zinc/89/40/49/956894049.db2.gz FHLIUIDTBCHWGG-UXBLZVDNSA-N -1 0 328.364 3.559 20 0 EHADRM Cc1ccc(NC(=O)CSCc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000013066246 956922086 /nfs/dbraw/zinc/92/20/86/956922086.db2.gz SOJSXRLJXMYVJK-UHFFFAOYSA-N -1 0 329.421 3.874 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ccc(F)cc1 ZINC001594716606 956936884 /nfs/dbraw/zinc/93/68/84/956936884.db2.gz YDEBXQYNORVSFR-JWDQPFGJSA-N -1 0 333.403 3.674 20 0 EHADRM CN(C(=O)COc1c(C(=O)[O-])ccc2ccccc21)C1CCCCC1 ZINC000013086141 956939399 /nfs/dbraw/zinc/93/93/99/956939399.db2.gz LYALWXYSLCOJRS-UHFFFAOYSA-N -1 0 341.407 3.708 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)c2ccc(OC(F)F)cc2)c1 ZINC000013167846 956948984 /nfs/dbraw/zinc/94/89/84/956948984.db2.gz HIUHYVWPWLQXLA-UHFFFAOYSA-N -1 0 341.697 3.892 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000013171520 956955109 /nfs/dbraw/zinc/95/51/09/956955109.db2.gz YUYNRFJPJDZNEF-UHFFFAOYSA-N -1 0 342.332 3.760 20 0 EHADRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000013176306 956956899 /nfs/dbraw/zinc/95/68/99/956956899.db2.gz ZUYWQWFHTKAQHY-IRXDYDNUSA-N -1 0 329.371 3.652 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000013176509 956956982 /nfs/dbraw/zinc/95/69/82/956956982.db2.gz OSFOOEJKYHVQJZ-AWEZNQCLSA-N -1 0 339.725 3.564 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000013179040 956962847 /nfs/dbraw/zinc/96/28/47/956962847.db2.gz WQWHSQDKTSZXKW-INIZCTEOSA-N -1 0 331.799 3.523 20 0 EHADRM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)[O-])c1 ZINC000013187728 956973019 /nfs/dbraw/zinc/97/30/19/956973019.db2.gz FBUCHXZOXIECET-NSHDSACASA-N -1 0 333.771 3.753 20 0 EHADRM Cc1ccc(C)c(SCC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1 ZINC000013225132 956982614 /nfs/dbraw/zinc/98/26/14/956982614.db2.gz JPSBNIBRFLQNEY-JYJNAYRXSA-N -1 0 347.480 3.640 20 0 EHADRM CCc1cccc(CC)c1NC(=O)COc1cc(C(=O)[O-])ccc1C ZINC000013248484 956990477 /nfs/dbraw/zinc/99/04/77/956990477.db2.gz NYNRBNIURVULOO-UHFFFAOYSA-N -1 0 341.407 3.836 20 0 EHADRM Cc1nc(NC(=O)N([C@H](C)C(=O)[O-])C2CC2)ccc1-c1ccccc1 ZINC000908675434 956993971 /nfs/dbraw/zinc/99/39/71/956993971.db2.gz PHGMJBPAYHRZIF-CYBMUJFWSA-N -1 0 339.395 3.526 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)c2ccc(C(F)F)cc2)c2ccccc21 ZINC001594727143 957016282 /nfs/dbraw/zinc/01/62/82/957016282.db2.gz QUDPGXDCCQDNQS-LSDHHAIUSA-N -1 0 331.318 3.667 20 0 EHADRM Cc1ccc(SCc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)c(C)c1 ZINC000013318919 957025083 /nfs/dbraw/zinc/02/50/83/957025083.db2.gz JORNLVMBVFLLRI-UHFFFAOYSA-N -1 0 340.404 3.530 20 0 EHADRM Cc1cccc(OCCCC(=O)N[C@@H](CC(=O)[O-])c2cccs2)c1 ZINC000013389167 957041242 /nfs/dbraw/zinc/04/12/42/957041242.db2.gz SOYJDJCJAGOKNK-HNNXBMFYSA-N -1 0 347.436 3.548 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000909988592 957043098 /nfs/dbraw/zinc/04/30/98/957043098.db2.gz RINFNOYPSUPRSF-RKVPGOIHSA-N -1 0 347.455 3.538 20 0 EHADRM CC(C)Cn1ncc(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)c1C(C)C ZINC000910649274 957048422 /nfs/dbraw/zinc/04/84/22/957048422.db2.gz FKIIIWKVCJHSCR-SOFGYWHQSA-N -1 0 345.399 3.606 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)NC2CCCCCCC2)c2ccccc21 ZINC001594732833 957054633 /nfs/dbraw/zinc/05/46/33/957054633.db2.gz XJZQDKJUVBRWQC-IAGOWNOFSA-N -1 0 330.428 3.712 20 0 EHADRM Cc1cc(OCC(=O)Nc2ccc(CC(=O)[O-])cc2)ccc1C(C)C ZINC000013438697 957076027 /nfs/dbraw/zinc/07/60/27/957076027.db2.gz UEQXVNLKRCTXPE-UHFFFAOYSA-N -1 0 341.407 3.763 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)Nc3ccc(CC(=O)[O-])cc3)cc2C1 ZINC000013439058 957076079 /nfs/dbraw/zinc/07/60/79/957076079.db2.gz JTGSUCGDAGFMGN-LLVKDONJSA-N -1 0 329.421 3.752 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000013442649 957082996 /nfs/dbraw/zinc/08/29/96/957082996.db2.gz WCISSMAMUQNJPF-UHFFFAOYSA-N -1 0 338.190 3.664 20 0 EHADRM Cc1cc(Cl)c(NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1C ZINC000926133228 957146053 /nfs/dbraw/zinc/14/60/53/957146053.db2.gz NDYBEFBMNYFMGW-QWHCGFSZSA-N -1 0 336.819 3.531 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(-c2ccccc2)s1 ZINC001118114369 957158112 /nfs/dbraw/zinc/15/81/12/957158112.db2.gz CEKXRTWKPFULPC-JSGCOSHPSA-N -1 0 329.421 3.740 20 0 EHADRM CCC[C@](C)(NC(=O)c1sc2ccccc2c1Cl)C(=O)[O-] ZINC000036337734 957229895 /nfs/dbraw/zinc/22/98/95/957229895.db2.gz BCNLZTRAYDRCBH-HNNXBMFYSA-N -1 0 325.817 3.928 20 0 EHADRM CCC[C@](C)(NC(=O)/C=C/c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000036338192 957230715 /nfs/dbraw/zinc/23/07/15/957230715.db2.gz CGXRDFKHXMOREM-RGDDUWESSA-N -1 0 330.211 3.766 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)CSCc1ccc(Cl)cc1 ZINC000037450496 957293045 /nfs/dbraw/zinc/29/30/45/957293045.db2.gz AQQODWLACOMQMU-UHFFFAOYSA-N -1 0 341.841 3.972 20 0 EHADRM Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c(C)s1 ZINC000037642023 957317829 /nfs/dbraw/zinc/31/78/29/957317829.db2.gz SMKGQMGQLODXLT-UHFFFAOYSA-N -1 0 345.829 3.517 20 0 EHADRM C[C@@](NCc1nccs1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000041835681 957399430 /nfs/dbraw/zinc/39/94/30/957399430.db2.gz KUUDNOCFOXQITP-ZDUSSCGKSA-N -1 0 331.224 3.540 20 0 EHADRM C[C@@H](CNC(=O)C1(Cc2cccc(Cl)c2)CCCCC1)C(=O)[O-] ZINC001603168064 972266802 /nfs/dbraw/zinc/26/68/02/972266802.db2.gz JFNDAWRPBZNAEV-ZDUSSCGKSA-N -1 0 337.847 3.670 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)Cc1cccc(Br)c1 ZINC000050039923 957483813 /nfs/dbraw/zinc/48/38/13/957483813.db2.gz QXTNAELLPFRBDV-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM Cc1cc(OCC(=O)Oc2ccc(C(=O)[O-])cc2)cc(C)c1Cl ZINC000066144492 957642811 /nfs/dbraw/zinc/64/28/11/957642811.db2.gz PCKAXDUCXUAPRB-UHFFFAOYSA-N -1 0 334.755 3.639 20 0 EHADRM Cc1cc(Br)cc(NC[C@@](C)(C(=O)[O-])c2ccccc2)n1 ZINC001594271688 957681454 /nfs/dbraw/zinc/68/14/54/957681454.db2.gz KNRFNVYUGLWIDO-MRXNPFEDSA-N -1 0 349.228 3.607 20 0 EHADRM Cc1cc(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c2ccc(F)cc2n1 ZINC001594277595 957724723 /nfs/dbraw/zinc/72/47/23/957724723.db2.gz DCNUIINHRBUHDJ-OAHLLOKOSA-N -1 0 346.402 3.692 20 0 EHADRM Cc1cc(C(=O)Nc2sc3c(c2C(=O)[O-])C[C@@H](C)O[C@@H]3C)co1 ZINC001594281389 957747779 /nfs/dbraw/zinc/74/77/79/957747779.db2.gz LAJYBWLXICBGRP-RKDXNWHRSA-N -1 0 335.381 3.622 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N(Cc2ccccc2)CC(F)F)c1 ZINC001594282623 957758605 /nfs/dbraw/zinc/75/86/05/957758605.db2.gz WOBSLLIGXSTMIT-UHFFFAOYSA-N -1 0 333.334 3.601 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)N(Cc1cccs1)C1CC1 ZINC000390570408 972294382 /nfs/dbraw/zinc/29/43/82/972294382.db2.gz CELUYQSMVQFUSF-UHFFFAOYSA-N -1 0 334.372 3.782 20 0 EHADRM Cc1cc(C(C)(C)C)ccc1OCCCC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC001594289887 957821195 /nfs/dbraw/zinc/82/11/95/957821195.db2.gz JEOUMEJWLWJEOE-MRXNPFEDSA-N -1 0 347.455 3.527 20 0 EHADRM CSc1ccc(Cl)c(C(=O)NC2(CC(=O)[O-])CCCC2)c1 ZINC000084142089 957859281 /nfs/dbraw/zinc/85/92/81/957859281.db2.gz SFYIFLRYVIKHEF-UHFFFAOYSA-N -1 0 327.833 3.579 20 0 EHADRM C[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000390674205 972297910 /nfs/dbraw/zinc/29/79/10/972297910.db2.gz SVWKFBOBWVYELI-NSHDSACASA-N -1 0 330.409 3.526 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC001574815054 957883672 /nfs/dbraw/zinc/88/36/72/957883672.db2.gz HLEJYJNIEMDNNM-UONOGXRCSA-N -1 0 347.317 3.728 20 0 EHADRM CON(C[C@H]1CCC[C@H](C)C1)C(=O)C1(C(=O)[O-])CCCCCC1 ZINC001594043912 957903491 /nfs/dbraw/zinc/90/34/91/957903491.db2.gz NPLOUFSGTQVJTI-GJZGRUSLSA-N -1 0 325.449 3.628 20 0 EHADRM CCc1cc2c(ncnc2N(C)Cc2ccc(C(=O)[O-])cc2)s1 ZINC000390946405 972309739 /nfs/dbraw/zinc/30/97/39/972309739.db2.gz UNLSLUQOPGGSQM-UHFFFAOYSA-N -1 0 327.409 3.588 20 0 EHADRM COc1ccc(NCc2ccc(C(=O)[O-])cc2)cc1Br ZINC000088318155 958054063 /nfs/dbraw/zinc/05/40/63/958054063.db2.gz QXYBYYNCUYQINS-UHFFFAOYSA-N -1 0 336.185 3.768 20 0 EHADRM Cc1cc(NC(=O)CCCCC(=O)OC(C)(C)C)ccc1C(=O)[O-] ZINC001594316925 958074908 /nfs/dbraw/zinc/07/49/08/958074908.db2.gz AWXJAJZSKOMMAC-UHFFFAOYSA-N -1 0 335.400 3.534 20 0 EHADRM Cc1ccccc1C(C)(C)CNC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001352989928 958131604 /nfs/dbraw/zinc/13/16/04/958131604.db2.gz WPYHVFUVEJWTAQ-MRXNPFEDSA-N -1 0 346.471 3.559 20 0 EHADRM Cc1cc(NC(=O)c2ccc(C(=O)[O-])cn2)ccc1Oc1ccncc1 ZINC001594325613 958167622 /nfs/dbraw/zinc/16/76/22/958167622.db2.gz RWGRJOZPTFOGSA-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1-c1cnn(C)c1 ZINC001594325586 958167643 /nfs/dbraw/zinc/16/76/43/958167643.db2.gz PNZDNSAUEYNWFE-UHFFFAOYSA-N -1 0 349.390 3.654 20 0 EHADRM Cc1cc(OC(=O)Cc2ccccc2C(=O)[O-])ccc1Br ZINC001594326326 958176345 /nfs/dbraw/zinc/17/63/45/958176345.db2.gz BEJQIDWTMBXNFE-UHFFFAOYSA-N -1 0 349.180 3.604 20 0 EHADRM COc1ccc(-c2cnc(CNC3(C(=O)[O-])CCCCCC3)o2)cc1 ZINC001594071345 958188730 /nfs/dbraw/zinc/18/87/30/958188730.db2.gz VCTONXKIFNXBEM-UHFFFAOYSA-N -1 0 344.411 3.617 20 0 EHADRM O=C([O-])[C@@H]1CCCCCN1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000391308017 972328619 /nfs/dbraw/zinc/32/86/19/972328619.db2.gz CJUMJPQSYUYCFK-AWEZNQCLSA-N -1 0 334.803 3.824 20 0 EHADRM Cc1ccc(C(C)C)c(OCC(=O)NCc2ccccc2C(=O)[O-])c1 ZINC001594350310 958346913 /nfs/dbraw/zinc/34/69/13/958346913.db2.gz YTPRVFKIBBJTPB-UHFFFAOYSA-N -1 0 341.407 3.512 20 0 EHADRM O=C([O-])Cc1csc(NC(=O)Nc2cccc3ccccc32)n1 ZINC000106789462 958369151 /nfs/dbraw/zinc/36/91/51/958369151.db2.gz LOMMCOMJPLQPFO-UHFFFAOYSA-N -1 0 327.365 3.567 20 0 EHADRM Cc1ccc(CC(=O)N2C[C@H](CCC(=O)[O-])Cc3ccccc32)cc1 ZINC001594353592 958385947 /nfs/dbraw/zinc/38/59/47/958385947.db2.gz MOMSPFBYUYTJJO-QGZVFWFLSA-N -1 0 337.419 3.608 20 0 EHADRM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)Nc2cncc(C(=O)[O-])c2)o1 ZINC001594354292 958399524 /nfs/dbraw/zinc/39/95/24/958399524.db2.gz QFXYIBIJEYPPDH-IAQYHMDHSA-N -1 0 343.383 3.686 20 0 EHADRM Cc1ccc(CN(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])C2CC2)cc1C ZINC001594358774 958428670 /nfs/dbraw/zinc/42/86/70/958428670.db2.gz HYXNJEAAVJHJBD-QGZVFWFLSA-N -1 0 346.471 3.724 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)c(Cl)c1Cl ZINC001594369148 958527835 /nfs/dbraw/zinc/52/78/35/958527835.db2.gz WVHQBUGXYHTYAW-NXEZZACHSA-N -1 0 346.210 3.510 20 0 EHADRM COc1ccc2cc(COC(=O)[C@]3(C(=O)[O-])CC=CCC3)ccc2c1 ZINC001594118226 958577517 /nfs/dbraw/zinc/57/75/17/958577517.db2.gz DYTQSHKMCCSZOM-HXUWFJFHSA-N -1 0 340.375 3.703 20 0 EHADRM COc1cccc(-c2csc(CN3CCC[C@@H](C)[C@H]3C(=O)[O-])n2)c1 ZINC001594120190 958595165 /nfs/dbraw/zinc/59/51/65/958595165.db2.gz ZQEKCLFGJDXNML-PXAZEXFGSA-N -1 0 346.452 3.504 20 0 EHADRM C/C(=C\c1ccccc1)CN(C)C(=O)C1(C(=O)[O-])C(C)(C)C1(C)C ZINC001588488472 958636633 /nfs/dbraw/zinc/63/66/33/958636633.db2.gz OKQWXBNRKNTMKZ-WYMLVPIESA-N -1 0 329.440 3.685 20 0 EHADRM C/C(=C\c1ccccc1)CN(C)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001588488561 958638251 /nfs/dbraw/zinc/63/82/51/958638251.db2.gz QEHJAQOAJNXTJB-HUJVCGDBSA-N -1 0 325.364 3.553 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)CCCn1ccc2cc(Cl)ccc21)C1CC1 ZINC001573373279 958643997 /nfs/dbraw/zinc/64/39/97/958643997.db2.gz DMNMVPGMPJCZGG-GFCCVEGCSA-N -1 0 348.830 3.539 20 0 EHADRM Cc1ccc2cc(Cl)cc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])c2n1 ZINC001594382282 958645974 /nfs/dbraw/zinc/64/59/74/958645974.db2.gz YBFJQZRSBOUGPH-CYBMUJFWSA-N -1 0 348.830 3.673 20 0 EHADRM C[C@@](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)(C(=O)[O-])c1ccccc1 ZINC001603234644 972364985 /nfs/dbraw/zinc/36/49/85/972364985.db2.gz RNTCMDXKWZGTOE-QFSBIZTOSA-N -1 0 349.839 3.621 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)OCc1cncc(-c2ccsc2)c1 ZINC001573389152 958682814 /nfs/dbraw/zinc/68/28/14/958682814.db2.gz AQKYVWSODKJXCI-AWEZNQCLSA-N -1 0 333.409 3.600 20 0 EHADRM Cc1cccc([C@H](NC(=O)C[C@H](C)c2ccccc2F)C(=O)[O-])c1 ZINC001594391271 958725273 /nfs/dbraw/zinc/72/52/73/958725273.db2.gz BCORBDCBDHDQEH-UGSOOPFHSA-N -1 0 329.371 3.570 20 0 EHADRM Cc1cccc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1Br ZINC000131932940 958757740 /nfs/dbraw/zinc/75/77/40/958757740.db2.gz QPSLAYFANAPBOD-MNOVXSKESA-N -1 0 340.217 3.587 20 0 EHADRM Cc1cccc(COc2cccc(NC(=O)N(C)CCC(=O)[O-])c2)c1 ZINC001594403697 958875517 /nfs/dbraw/zinc/87/55/17/958875517.db2.gz SDYCBCFKAANPNH-UHFFFAOYSA-N -1 0 342.395 3.512 20 0 EHADRM Cc1cccc(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])c1OCc1ccccc1 ZINC001594407917 958916720 /nfs/dbraw/zinc/91/67/20/958916720.db2.gz TXJPQMZAGGWQMX-JKSUJKDBSA-N -1 0 339.391 3.623 20 0 EHADRM CC(C)(C)Oc1cccc(COC(=O)[C@]2(C(=O)[O-])CC=CCC2)c1 ZINC001573458300 958916798 /nfs/dbraw/zinc/91/67/98/958916798.db2.gz YXHMFWVIMDNYSN-LJQANCHMSA-N -1 0 332.396 3.718 20 0 EHADRM Cc1cccc(Nc2ccccc2C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c1C ZINC001594408715 958925405 /nfs/dbraw/zinc/92/54/05/958925405.db2.gz RUYRWLCXAWOVEH-GASCZTMLSA-N -1 0 338.407 3.640 20 0 EHADRM Cc1cccc(Oc2ccc(C(=O)Nc3cncc(C(=O)[O-])c3)nc2)c1 ZINC001594408814 958927610 /nfs/dbraw/zinc/92/76/10/958927610.db2.gz DMZZXXHOUNEEGP-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM Cc1cccc(Oc2cccc(NC(=O)NC[C@H](C)C(=O)[O-])c2)c1 ZINC001594409572 958937160 /nfs/dbraw/zinc/93/71/60/958937160.db2.gz ISYLUKIVBNECJM-ZDUSSCGKSA-N -1 0 328.368 3.630 20 0 EHADRM Cc1cccc2c(C(=O)NC[C@@](C)(C(=O)[O-])c3ccccc3)coc21 ZINC001594411439 958952509 /nfs/dbraw/zinc/95/25/09/958952509.db2.gz WWPBNOVZPIHBQI-HXUWFJFHSA-N -1 0 337.375 3.514 20 0 EHADRM CC(C)(COCc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001573478654 958969637 /nfs/dbraw/zinc/96/96/37/958969637.db2.gz UKSYIWHMNCZRCJ-UHFFFAOYSA-N -1 0 345.370 3.705 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCC(C)(c2ccc(Cl)cc2)CC1 ZINC001573484650 958987509 /nfs/dbraw/zinc/98/75/09/958987509.db2.gz MZKIAAPVSUAJSX-HNNXBMFYSA-N -1 0 337.847 3.577 20 0 EHADRM CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC001573484758 958987760 /nfs/dbraw/zinc/98/77/60/958987760.db2.gz OLMWQTVEUZHBDL-UHFFFAOYSA-N -1 0 349.770 3.540 20 0 EHADRM Cc1ccccc1C(F)(F)CNC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001594415720 958999752 /nfs/dbraw/zinc/99/97/52/958999752.db2.gz PVRKJJUXOKYFPJ-UHFFFAOYSA-N -1 0 339.382 3.628 20 0 EHADRM Cc1ccccc1C(C)(C)CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001594415807 959001584 /nfs/dbraw/zinc/00/15/84/959001584.db2.gz OHBSGOVIYSIKEL-INIZCTEOSA-N -1 0 348.487 3.709 20 0 EHADRM CCCC[C@H](CCC)NC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000391939876 972393549 /nfs/dbraw/zinc/39/35/49/972393549.db2.gz NKHYYCXILHILID-CABCVRRESA-N -1 0 326.481 3.878 20 0 EHADRM CC(C)[C@H](NC(=O)NCc1cccc(C(=O)[O-])c1)c1ccccc1F ZINC001573498687 959043369 /nfs/dbraw/zinc/04/33/69/959043369.db2.gz FRPAJFKBECGPQU-KRWDZBQOSA-N -1 0 344.386 3.720 20 0 EHADRM CC(C)C[C@H](NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001573516927 959107136 /nfs/dbraw/zinc/10/71/36/959107136.db2.gz OVPRYHBQMVQRCX-CFVMTHIKSA-N -1 0 338.835 3.590 20 0 EHADRM O=C([O-])c1ccc(COc2cc(F)ccc2Br)cc1 ZINC000160122957 959140477 /nfs/dbraw/zinc/14/04/77/959140477.db2.gz KHPAZTFIEYQWTN-UHFFFAOYSA-N -1 0 325.133 3.865 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)N[C@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC001588569139 959173092 /nfs/dbraw/zinc/17/30/92/959173092.db2.gz CNXDRZFKPMZEGD-PXAZEXFGSA-N -1 0 343.448 3.553 20 0 EHADRM CC(C)C[C@H](NC(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC001573539270 959182846 /nfs/dbraw/zinc/18/28/46/959182846.db2.gz DLTYFLZMLMRDTE-NSHDSACASA-N -1 0 337.725 3.588 20 0 EHADRM COc1ccc(C)cc1COc1cc(/C=C/C(=O)[O-])ccc1OC ZINC000392124410 972411658 /nfs/dbraw/zinc/41/16/58/972411658.db2.gz YYTIOKULRLNHLM-RMKNXTFCSA-N -1 0 328.364 3.689 20 0 EHADRM CCCOc1ccc(NC(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000392130400 972413625 /nfs/dbraw/zinc/41/36/25/972413625.db2.gz IOYFRWDVISTRAR-UHFFFAOYSA-N -1 0 328.368 3.747 20 0 EHADRM CN(CCCCc1ccccc1)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000392152128 972415895 /nfs/dbraw/zinc/41/58/95/972415895.db2.gz XEQBCBKNHGPYHA-UHFFFAOYSA-N -1 0 331.456 3.893 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC001588583509 959278777 /nfs/dbraw/zinc/27/87/77/959278777.db2.gz BPYJSMDBSDNDOF-DTWKUNHWSA-N -1 0 348.251 3.632 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)/C=C/c1csc(C(F)(F)F)c1 ZINC001594212287 959301054 /nfs/dbraw/zinc/30/10/54/959301054.db2.gz KTNHQQSQYYMLOK-PFLKOTLJSA-N -1 0 347.358 3.634 20 0 EHADRM C[C@H](CCNC(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC000392167723 972419875 /nfs/dbraw/zinc/41/98/75/972419875.db2.gz XMKDNIJJZSHANM-CQSZACIVSA-N -1 0 326.396 3.629 20 0 EHADRM Cc1nc(CC(C)C)c(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)s1 ZINC001594451150 959371205 /nfs/dbraw/zinc/37/12/05/959371205.db2.gz IEFLWCBVAKYAFX-ZDUSSCGKSA-N -1 0 340.489 3.517 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NCc2ccccc2OC2CCCC2)C1 ZINC000179958076 959434895 /nfs/dbraw/zinc/43/48/95/959434895.db2.gz PPHMUKYBYBTCLQ-CABCVRRESA-N -1 0 345.439 3.515 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](c2nc(C3(c4ccccc4)CCC3)no2)C1 ZINC000392218801 972429253 /nfs/dbraw/zinc/42/92/53/972429253.db2.gz JFATUABVNPRYFC-KGLIPLIRSA-N -1 0 326.396 3.898 20 0 EHADRM C[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000181905705 959443699 /nfs/dbraw/zinc/44/36/99/959443699.db2.gz CFQKWPQPJCJURA-MEDUHNTESA-N -1 0 349.789 3.600 20 0 EHADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Nc1ccnc(Oc2ccccc2Cl)c1 ZINC001594227884 959445736 /nfs/dbraw/zinc/44/57/36/959445736.db2.gz UEEWCXSPVUUCFJ-QGHHPUGFSA-N -1 0 346.770 3.577 20 0 EHADRM C[C@@H](NC(=O)C1(C(=O)[O-])CCC1)c1cc(Cl)cc(Cl)c1F ZINC001573610354 959474921 /nfs/dbraw/zinc/47/49/21/959474921.db2.gz HRSZWXKHCJELGN-SSDOTTSWSA-N -1 0 334.174 3.565 20 0 EHADRM C[C@H](NC(=O)Nc1ccccc1C(=O)[O-])C1CCC(F)(F)CC1 ZINC001573620541 959501960 /nfs/dbraw/zinc/50/19/60/959501960.db2.gz BZDWXHBBGDLAKZ-JTQLQIEISA-N -1 0 326.343 3.720 20 0 EHADRM Cc1noc(C)c1[C@H](C)CC(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000190765987 959520449 /nfs/dbraw/zinc/52/04/49/959520449.db2.gz IVJLEWUHYBHYQA-MLGOLLRUSA-N -1 0 344.411 3.507 20 0 EHADRM CC[C@@H](C)n1ncc(C(=O)Nc2cc(C(=O)[O-])cs2)c1C1CC1 ZINC000191360338 959554720 /nfs/dbraw/zinc/55/47/20/959554720.db2.gz NQHYLSVEPCJUGL-SECBINFHSA-N -1 0 333.413 3.744 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)o1 ZINC000191651855 959587367 /nfs/dbraw/zinc/58/73/67/959587367.db2.gz SEKNKIIAVIZPMO-UHFFFAOYSA-N -1 0 349.342 3.832 20 0 EHADRM CC[C@H](C(=O)Nc1ccc(C(=O)[O-])c(C)c1)c1ccc(OC)cc1 ZINC000192883870 959594934 /nfs/dbraw/zinc/59/49/34/959594934.db2.gz PIGRAGZNDGBNQP-INIZCTEOSA-N -1 0 327.380 3.834 20 0 EHADRM C[C@H](C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000192900790 959596758 /nfs/dbraw/zinc/59/67/58/959596758.db2.gz SSFZYVYLGJFVDO-NSHDSACASA-N -1 0 333.771 3.546 20 0 EHADRM C[C@@H](SCCC(=O)[O-])C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC001573639910 959604998 /nfs/dbraw/zinc/60/49/98/959604998.db2.gz CHLXLGJBRQHHFB-QWHCGFSZSA-N -1 0 331.437 3.613 20 0 EHADRM C[C@](CNC(=O)c1cc2ccccc2s1)(C(=O)[O-])c1ccccc1 ZINC000193060636 959609435 /nfs/dbraw/zinc/60/94/35/959609435.db2.gz UAYSXSVUTCOJJL-LJQANCHMSA-N -1 0 339.416 3.674 20 0 EHADRM CCC[C@](C)(NC(=O)/C=C\c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000209273378 959673110 /nfs/dbraw/zinc/67/31/10/959673110.db2.gz CGXRDFKHXMOREM-XVWMLYKFSA-N -1 0 330.211 3.766 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1cc(Cl)cc(Br)c1 ZINC001573667228 959699153 /nfs/dbraw/zinc/69/91/53/959699153.db2.gz DPJPZKXJRIHLBI-CYBMUJFWSA-N -1 0 346.608 3.542 20 0 EHADRM Cc1c(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cnn1-c1ccc(Cl)cc1 ZINC001594263387 959724004 /nfs/dbraw/zinc/72/40/04/959724004.db2.gz PSBOURUPZYJQLP-AWEZNQCLSA-N -1 0 349.818 3.520 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)CCc1cnc2ccccc2c1)C(=O)[O-] ZINC001588650590 959762147 /nfs/dbraw/zinc/76/21/47/959762147.db2.gz MOVJNUQGLYHZFU-QGZVFWFLSA-N -1 0 342.439 3.563 20 0 EHADRM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001573698011 959797582 /nfs/dbraw/zinc/79/75/82/959797582.db2.gz DMUSBUVSRYAOKQ-CZUORRHYSA-N -1 0 332.444 3.741 20 0 EHADRM C[C@H]1C[C@H](CCNC(=O)c2ccc(OCC(=O)[O-])cc2)CC(C)(C)C1 ZINC001573701317 959835078 /nfs/dbraw/zinc/83/50/78/959835078.db2.gz NFDPGZYMUUWJEI-GJZGRUSLSA-N -1 0 347.455 3.732 20 0 EHADRM C[C@H](c1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)cc1)C(F)(F)F ZINC001573711461 959853530 /nfs/dbraw/zinc/85/35/30/959853530.db2.gz NPNOUKLTQKLHDI-JTNHKYCSSA-N -1 0 343.345 3.678 20 0 EHADRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c2ccccc2n1 ZINC000392287997 972463241 /nfs/dbraw/zinc/46/32/41/972463241.db2.gz YZQCNXPWZUGHFQ-UHFFFAOYSA-N -1 0 342.301 3.772 20 0 EHADRM O=C([O-])c1cccc(F)c1NC(=O)c1cc2ccccc2c(Cl)n1 ZINC000392551916 972497028 /nfs/dbraw/zinc/49/70/28/972497028.db2.gz ZRUPXYBFJQIFRJ-UHFFFAOYSA-N -1 0 344.729 3.978 20 0 EHADRM COc1ccc2ccccc2c1CCNC(=O)c1ccc(C(=O)[O-])cc1 ZINC001574227138 960404536 /nfs/dbraw/zinc/40/45/36/960404536.db2.gz OKAXIJDQOMXWOH-UHFFFAOYSA-N -1 0 349.386 3.519 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1ccc(Br)c(Cl)c1 ZINC000235359510 960421888 /nfs/dbraw/zinc/42/18/88/960421888.db2.gz RKBNVIQPBYNARH-MWLCHTKSSA-N -1 0 346.652 3.788 20 0 EHADRM C[C@H](C(=O)Nc1cc(Br)ccc1C(=O)[O-])c1ccccc1 ZINC000235446177 960435217 /nfs/dbraw/zinc/43/52/17/960435217.db2.gz AHCQZLXSMNVHMF-JTQLQIEISA-N -1 0 348.196 3.890 20 0 EHADRM COc1ccccc1[C@H](CC(C)C)OC(=O)c1ccc(C(=O)[O-])nc1 ZINC001574237570 960441347 /nfs/dbraw/zinc/44/13/47/960441347.db2.gz XXFNQVPSFXUQHM-KRWDZBQOSA-N -1 0 343.379 3.733 20 0 EHADRM Cc1ccccc1SCC(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000392635493 972504687 /nfs/dbraw/zinc/50/46/87/972504687.db2.gz JTLAYIGYTAGDQC-OAHLLOKOSA-N -1 0 341.432 3.692 20 0 EHADRM Cn1c(C(=O)[O-])ccc1[C@@H]1CCCCN1C(=O)CC(C)(C)C1CC1 ZINC001123398529 960481721 /nfs/dbraw/zinc/48/17/21/960481721.db2.gz NKJCJPJOJVIDFZ-HNNXBMFYSA-N -1 0 332.444 3.603 20 0 EHADRM CSCCc1ccccc1NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001574257767 960549381 /nfs/dbraw/zinc/54/93/81/960549381.db2.gz WAFNDCQEDCEIFH-CLFYSBASSA-N -1 0 331.393 3.535 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)C(=O)/C(C)=C\c1c(Cl)cccc1Cl ZINC001573757892 960574660 /nfs/dbraw/zinc/57/46/60/960574660.db2.gz GLRBUXSBUSYFAZ-LJTDUEICSA-N -1 0 330.211 3.718 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)CC23CC4CC(CC(C4)C2)C3)C1 ZINC000392732796 972515949 /nfs/dbraw/zinc/51/59/49/972515949.db2.gz ZXXJPODDWWKWMD-HQHQJUQOSA-N -1 0 347.499 3.942 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)CC(C2CC2)C2CC2)cc1 ZINC001254211049 960650532 /nfs/dbraw/zinc/65/05/32/960650532.db2.gz HMKDRURQPURVOU-QGZVFWFLSA-N -1 0 347.480 3.867 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)C(F)(F)F ZINC001573769667 960652230 /nfs/dbraw/zinc/65/22/30/960652230.db2.gz BDZXGMVHOWVMOG-RDDDGLTNSA-N -1 0 336.285 3.622 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N1CCC[C@@H](c2ccccc2OC)CC1 ZINC001573775732 960671937 /nfs/dbraw/zinc/67/19/37/960671937.db2.gz AAACMFNVKVKOJG-OAHLLOKOSA-N -1 0 347.455 3.682 20 0 EHADRM O=C([O-])c1cccc(CNc2ccc(Cl)cc2Br)n1 ZINC000236487789 960677814 /nfs/dbraw/zinc/67/78/14/960677814.db2.gz BRTHKEJDJBGQPI-UHFFFAOYSA-N -1 0 341.592 3.808 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N(Cc1cccc(OC)c1)CC(C)C ZINC001573776694 960695465 /nfs/dbraw/zinc/69/54/65/960695465.db2.gz ZIVNJFSSKQAYDV-UHFFFAOYSA-N -1 0 335.444 3.571 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)cc1 ZINC000236625474 960719995 /nfs/dbraw/zinc/71/99/95/960719995.db2.gz VADUKKOEBQENLV-UHFFFAOYSA-N -1 0 327.380 3.916 20 0 EHADRM Cc1cc2occ(CC(=O)N[C@H]3CCC[C@H]3C(=O)[O-])c2cc1C(C)C ZINC000236701424 960735324 /nfs/dbraw/zinc/73/53/24/960735324.db2.gz MMFAVOAVFJYFEJ-PBHICJAKSA-N -1 0 343.423 3.777 20 0 EHADRM Cc1cc(C(=O)N[C@@H](C(=O)[O-])C(C)C)c(C)n1[C@@H](C)c1ccccc1 ZINC000236706412 960738327 /nfs/dbraw/zinc/73/83/27/960738327.db2.gz ZJLVUGKIHCSEEO-KBXCAEBGSA-N -1 0 342.439 3.553 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc1)C(=O)[O-] ZINC001261631270 960750399 /nfs/dbraw/zinc/75/03/99/960750399.db2.gz NVGURDIBEDQVCI-WAZAZEMKSA-N -1 0 337.366 3.570 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 ZINC000236776700 960756754 /nfs/dbraw/zinc/75/67/54/960756754.db2.gz HHJCASPBROGLCM-CYBMUJFWSA-N -1 0 342.439 3.618 20 0 EHADRM CCC(CC)(CNC(=O)C1(c2cccc(OC)c2)CCCC1)C(=O)[O-] ZINC000236828285 960767056 /nfs/dbraw/zinc/76/70/56/960767056.db2.gz LTWIKBVNOUVHGO-UHFFFAOYSA-N -1 0 347.455 3.514 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)c1 ZINC001574315306 960779700 /nfs/dbraw/zinc/77/97/00/960779700.db2.gz LDQPDMWIERXRTO-HZPDHXFCSA-N -1 0 345.439 3.549 20 0 EHADRM CCC(CC)(C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000236865893 960782644 /nfs/dbraw/zinc/78/26/44/960782644.db2.gz BNCKHXFLENEHGW-INIZCTEOSA-N -1 0 331.456 3.848 20 0 EHADRM CCCCc1nc2cc(NC(=O)c3ccc(C(=O)[O-])cc3)ccc2[nH]1 ZINC000236945195 960805705 /nfs/dbraw/zinc/80/57/05/960805705.db2.gz APOSDAPSLLWREZ-UHFFFAOYSA-N -1 0 337.379 3.856 20 0 EHADRM Cc1cc(C(F)(F)F)cc(C)c1NC(=O)NCC1(C(=O)[O-])CCC1 ZINC001574319696 960818786 /nfs/dbraw/zinc/81/87/86/960818786.db2.gz TYSBXAPJVDEILO-UHFFFAOYSA-N -1 0 344.333 3.699 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1cccc(OCc2cccs2)c1)C(=O)[O-] ZINC000236995256 960830975 /nfs/dbraw/zinc/83/09/75/960830975.db2.gz FKAQCYGLQALSEN-LRDDRELGSA-N -1 0 347.436 3.556 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CSc1ccc(C(C)(C)C)cc1 ZINC000237003177 960832460 /nfs/dbraw/zinc/83/24/60/960832460.db2.gz SHIZTIDHHPIJGO-SFHVURJKSA-N -1 0 337.485 3.836 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000237029102 960844278 /nfs/dbraw/zinc/84/42/78/960844278.db2.gz CESJPKMMVATSBM-IFXJQAMLSA-N -1 0 341.407 3.918 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000237043372 960852014 /nfs/dbraw/zinc/85/20/14/960852014.db2.gz LHFAQUWJJOAJJR-NWDGAFQWSA-N -1 0 345.361 3.596 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)N1CCC[C@](CC)(C(=O)[O-])C1 ZINC001573808344 960863839 /nfs/dbraw/zinc/86/38/39/960863839.db2.gz BUPYFCXLOPARPH-JXFKEZNVSA-N -1 0 331.456 3.667 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(OC)c(-c2ccccc2)c1 ZINC000237130490 960876703 /nfs/dbraw/zinc/87/67/03/960876703.db2.gz ZOZGCPOIZOXEIU-HXUWFJFHSA-N -1 0 341.407 3.735 20 0 EHADRM CC[C@H](Cc1ccc(F)cc1)NC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001573809852 960879239 /nfs/dbraw/zinc/87/92/39/960879239.db2.gz XIHUMSXUAWWKLW-MRXNPFEDSA-N -1 0 335.419 3.688 20 0 EHADRM COc1ccc(CNC(=O)[C@@H](C)CC2CCCCC2)cc1C(=O)[O-] ZINC000237293644 960903947 /nfs/dbraw/zinc/90/39/47/960903947.db2.gz LYGUGXCNTNHORY-ZDUSSCGKSA-N -1 0 333.428 3.616 20 0 EHADRM CC[C@@H](Sc1nc2sc(C)c(C)c2c(=O)n1C(C)C)C(=O)[O-] ZINC001573814839 960926231 /nfs/dbraw/zinc/92/62/31/960926231.db2.gz YXFXYIPTZLHJMS-SNVBAGLBSA-N -1 0 340.470 3.611 20 0 EHADRM Cc1ccc(CCC(=O)N[C@@H](CC(=O)[O-])c2ccc(C)cc2)cc1 ZINC001319223587 960929020 /nfs/dbraw/zinc/92/90/20/960929020.db2.gz AZGAKXGFGKXMLU-SFHVURJKSA-N -1 0 325.408 3.568 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000237467935 960941463 /nfs/dbraw/zinc/94/14/63/960941463.db2.gz LAEDUNZTSXDKEX-ZDUSSCGKSA-N -1 0 329.421 3.572 20 0 EHADRM C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)c1ccc(C(=O)[O-])o1 ZINC000237478885 960941499 /nfs/dbraw/zinc/94/14/99/960941499.db2.gz YWKPMSTXYXNEAV-MRVPVSSYSA-N -1 0 342.178 3.646 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1Cl ZINC000237515977 960951269 /nfs/dbraw/zinc/95/12/69/960951269.db2.gz TVRFCCDJKDOAMH-MRVPVSSYSA-N -1 0 339.178 3.578 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)Nc1cc(F)cc(F)c1)C(=O)[O-] ZINC000237563276 960962474 /nfs/dbraw/zinc/96/24/74/960962474.db2.gz SGCAGYJBXZFMRP-VIFPVBQESA-N -1 0 337.347 3.782 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1cnc(OC(C)C)c(Cl)c1 ZINC001319928113 960964780 /nfs/dbraw/zinc/96/47/80/960964780.db2.gz MMROEGJKDRFJSO-UHFFFAOYSA-N -1 0 348.786 3.781 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccc(Cl)c(Cl)c1 ZINC000237598339 960969950 /nfs/dbraw/zinc/96/99/50/960969950.db2.gz OYAFKDJLTFWVSF-QMMMGPOBSA-N -1 0 339.178 3.578 20 0 EHADRM C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000237620745 960977408 /nfs/dbraw/zinc/97/74/08/960977408.db2.gz HIZOUCCKNSWUKS-VIFPVBQESA-N -1 0 337.734 3.583 20 0 EHADRM CCCCC[C@@H](NC(=O)c1[nH]c2ccc(C)cc2c1Cl)C(=O)[O-] ZINC001320663477 960981996 /nfs/dbraw/zinc/98/19/96/960981996.db2.gz JLUSQJTURMVUBA-CYBMUJFWSA-N -1 0 336.819 3.893 20 0 EHADRM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCCCCCC(=O)[O-] ZINC000237664859 960991685 /nfs/dbraw/zinc/99/16/85/960991685.db2.gz XQYGRNQDJOKPRB-JTQLQIEISA-N -1 0 348.226 3.522 20 0 EHADRM CCc1oc2ccccc2c1C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC001321136558 960997558 /nfs/dbraw/zinc/99/75/58/960997558.db2.gz ZEIRWJQWFWFPII-UHFFFAOYSA-N -1 0 329.396 3.903 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)Nc1cccnc1C(=O)[O-] ZINC001574356895 961005814 /nfs/dbraw/zinc/00/58/14/961005814.db2.gz INCBQLXLXKLIDV-CYBMUJFWSA-N -1 0 342.395 3.618 20 0 EHADRM Cc1cn(CC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c2ccccc12 ZINC001322598741 961008781 /nfs/dbraw/zinc/00/87/81/961008781.db2.gz FSOOVVGVEXHZSN-UHFFFAOYSA-N -1 0 342.782 3.940 20 0 EHADRM Cn1c(C(=O)Nc2ccc(CCC(=O)[O-])cc2)ccc1-c1ccccc1 ZINC000237725566 961009019 /nfs/dbraw/zinc/00/90/19/961009019.db2.gz XHBVSOSFIUIOHW-UHFFFAOYSA-N -1 0 348.402 3.962 20 0 EHADRM Cc1coc(-c2ccc(C)c(NC(=O)CC(C)(C)CC(=O)[O-])c2)n1 ZINC000237802635 961027056 /nfs/dbraw/zinc/02/70/56/961027056.db2.gz QOHHVHOJQMNSDW-UHFFFAOYSA-N -1 0 330.384 3.788 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H]1NC(=O)c1ccc(OCC2CCCCC2)cc1 ZINC000237945234 961050187 /nfs/dbraw/zinc/05/01/87/961050187.db2.gz XTKLYWMOXKXKEQ-ZWKOTPCHSA-N -1 0 345.439 3.629 20 0 EHADRM Cc1ccc(CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])c(O[C@@H](C)CC(C)C)c1 ZINC001574367754 961050257 /nfs/dbraw/zinc/05/02/57/961050257.db2.gz LMPWAZWQUUYZON-BHYGNILZSA-N -1 0 347.455 3.535 20 0 EHADRM CCC[C@H](Cc1ccccc1)NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001573836364 961055287 /nfs/dbraw/zinc/05/52/87/961055287.db2.gz RQHJDASQOCVSQG-ZBTGYSDGSA-N -1 0 327.380 3.519 20 0 EHADRM CCC[C@H](Cc1ccccc1)NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001573836571 961057880 /nfs/dbraw/zinc/05/78/80/961057880.db2.gz VGSASMSPUJMXDO-KUGGDMIFSA-N -1 0 327.380 3.519 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)c1 ZINC000238034613 961081824 /nfs/dbraw/zinc/08/18/24/961081824.db2.gz XSSASCIBHWPKQE-HOTGVXAUSA-N -1 0 345.782 3.546 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)cn1 ZINC000238035318 961084059 /nfs/dbraw/zinc/08/40/59/961084059.db2.gz RFPWJRIRJXOSHN-QGZVFWFLSA-N -1 0 342.370 3.580 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCCc2cc(Cl)cc(Cl)c2)s1 ZINC000238044313 961086487 /nfs/dbraw/zinc/08/64/87/961086487.db2.gz VCJCAINDUCHLOG-UHFFFAOYSA-N -1 0 344.219 3.726 20 0 EHADRM O=C([O-])CCCC(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 ZINC001326390214 961086792 /nfs/dbraw/zinc/08/67/92/961086792.db2.gz FOQJKVZRQHQZGZ-UHFFFAOYSA-N -1 0 348.786 3.507 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)CCOc2ccccc2Cl)c1 ZINC000238099897 961096688 /nfs/dbraw/zinc/09/66/88/961096688.db2.gz DXVLVPRSFFMSNY-UHFFFAOYSA-N -1 0 337.734 3.585 20 0 EHADRM CCCN(C(=O)CCCC(=O)[O-])[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC001573847822 961100776 /nfs/dbraw/zinc/10/07/76/961100776.db2.gz ACIYBDGIHPFVQG-CVEARBPZSA-N -1 0 339.476 3.608 20 0 EHADRM CC(C)(C)Oc1cccc(CCC(=O)Nc2ccccc2C(=O)[O-])n1 ZINC001588734255 961117511 /nfs/dbraw/zinc/11/75/11/961117511.db2.gz DOURZIMKPGXDAN-UHFFFAOYSA-N -1 0 342.395 3.528 20 0 EHADRM CC(C)(C)c1cc(C(=O)N2CCC[C@H]2C(=O)[O-])cc(C(C)(C)C)c1O ZINC001588739161 961144697 /nfs/dbraw/zinc/14/46/97/961144697.db2.gz BYWIKNICNFDULX-HNNXBMFYSA-N -1 0 347.455 3.676 20 0 EHADRM CC(C)(C)c1cc(C(=O)N2CCC[C@@H]2C(=O)[O-])c(O)c(C(C)(C)C)c1 ZINC001588739273 961146225 /nfs/dbraw/zinc/14/62/25/961146225.db2.gz KBTABGSPTJDXBX-OAHLLOKOSA-N -1 0 347.455 3.676 20 0 EHADRM CC(C)(C)c1ccc(SCC(=O)N(CC(=O)[O-])C2CCC2)cc1 ZINC001588742058 961177317 /nfs/dbraw/zinc/17/73/17/961177317.db2.gz SMJQJRNDQJLZEE-UHFFFAOYSA-N -1 0 335.469 3.542 20 0 EHADRM CCCn1ncc(NC(=O)C2(C(=O)[O-])CCCCCC2)c1C1CC1 ZINC001573872514 961219761 /nfs/dbraw/zinc/21/97/61/961219761.db2.gz WNKKXPWWPHUSPL-UHFFFAOYSA-N -1 0 333.432 3.534 20 0 EHADRM CC(C)(C)c1ccc(CSCC(=O)NC(C)(C)CC(=O)[O-])cc1 ZINC001588758274 961234231 /nfs/dbraw/zinc/23/42/31/961234231.db2.gz XYHZHZRCBZDOSR-UHFFFAOYSA-N -1 0 337.485 3.587 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(OC3CCCCC3)cc2)o1 ZINC001329291360 961263102 /nfs/dbraw/zinc/26/31/02/961263102.db2.gz DGURVPKEMIOCFG-UHFFFAOYSA-N -1 0 329.352 3.942 20 0 EHADRM Cc1cn(CC(=O)N2CCCc3cc(C(=O)[O-])ccc32)c2ccccc12 ZINC001574411100 961287514 /nfs/dbraw/zinc/28/75/14/961287514.db2.gz LULOLMKDMPDEJT-UHFFFAOYSA-N -1 0 348.402 3.627 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)c2ccccc21 ZINC000261597001 961382630 /nfs/dbraw/zinc/38/26/30/961382630.db2.gz AAGGETOJWXUXAM-NTZNESFSSA-N -1 0 341.329 3.570 20 0 EHADRM CC(C)(C)c1ccccc1C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000261605515 961382760 /nfs/dbraw/zinc/38/27/60/961382760.db2.gz CQDHHNXWLUBNHT-INIZCTEOSA-N -1 0 325.408 3.582 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000261790170 961391787 /nfs/dbraw/zinc/39/17/87/961391787.db2.gz YTMVHTUMWKTWBR-NDKCEZKHSA-N -1 0 347.377 3.599 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000261902605 961397642 /nfs/dbraw/zinc/39/76/42/961397642.db2.gz PCAIAWVXRRDCLP-FRQCXROJSA-N -1 0 331.456 3.920 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1ccc(SCc2cccnc2)cc1 ZINC000261922036 961399472 /nfs/dbraw/zinc/39/94/72/961399472.db2.gz RTXLKIPIUIJDSY-UHFFFAOYSA-N -1 0 344.436 3.957 20 0 EHADRM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC000262083222 961443398 /nfs/dbraw/zinc/44/33/98/961443398.db2.gz BRNYZXHPBJGZHW-YJBOKZPZSA-N -1 0 337.419 3.640 20 0 EHADRM Cc1cc(CCCC(=O)NCc2cc(C(=O)[O-])c(C)o2)c(C)s1 ZINC000262094167 961452085 /nfs/dbraw/zinc/45/20/85/961452085.db2.gz MAJUZOKSDOWEPH-UHFFFAOYSA-N -1 0 335.425 3.604 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000262121551 961477849 /nfs/dbraw/zinc/47/78/49/961477849.db2.gz JRSSSCNORYMOHW-IEBWSBKVSA-N -1 0 337.419 3.770 20 0 EHADRM Cc1cc(C)c(CCNC(=O)CCc2ccccc2C(=O)[O-])c(C)c1 ZINC000262121825 961478360 /nfs/dbraw/zinc/47/83/60/961478360.db2.gz GOJDUOVGFFMLOY-UHFFFAOYSA-N -1 0 339.435 3.602 20 0 EHADRM Cc1ccccc1[C@H]1CCN(C(=O)CCc2ccccc2C(=O)[O-])C1 ZINC000262188191 961533762 /nfs/dbraw/zinc/53/37/62/961533762.db2.gz NDDSWSMFVXJAGC-KRWDZBQOSA-N -1 0 337.419 3.642 20 0 EHADRM CCOc1ccc2ccccc2c1OC(=O)c1ccc(C(=O)[O-])cn1 ZINC001573924973 961544681 /nfs/dbraw/zinc/54/46/81/961544681.db2.gz SKLQKXIKEDJQCQ-UHFFFAOYSA-N -1 0 337.331 3.551 20 0 EHADRM CCSc1cccc(F)c1NC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001573932182 961585394 /nfs/dbraw/zinc/58/53/94/961585394.db2.gz PNYSDWUSLAMKFB-NSHDSACASA-N -1 0 328.409 3.559 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2CCC[C@H](F)C2)ccc1Br ZINC001332638353 961617075 /nfs/dbraw/zinc/61/70/75/961617075.db2.gz VYLQTEFMHMSINO-BDAKNGLRSA-N -1 0 344.180 3.614 20 0 EHADRM Cc1ccc(CCCC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000262288470 961622699 /nfs/dbraw/zinc/62/26/99/961622699.db2.gz GLNMQQUZKRNPTR-SFHVURJKSA-N -1 0 343.398 3.789 20 0 EHADRM CC(C)[C@H](CNC(=O)N1CCC(C)(C)[C@H](c2ccccc2)C1)C(=O)[O-] ZINC001588822437 961635431 /nfs/dbraw/zinc/63/54/31/961635431.db2.gz GHECTKAGSMZXSI-IRXDYDNUSA-N -1 0 346.471 3.569 20 0 EHADRM Cc1cccc(OCCCCC(=O)Nc2ccc(CC(=O)[O-])cc2)c1 ZINC000262312757 961636073 /nfs/dbraw/zinc/63/60/73/961636073.db2.gz SZIHDSPCGSCWFM-UHFFFAOYSA-N -1 0 341.407 3.810 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000262361780 961671041 /nfs/dbraw/zinc/67/10/41/961671041.db2.gz GXWXBQVQENRJFT-CQSZACIVSA-N -1 0 343.448 3.964 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000262432756 961717500 /nfs/dbraw/zinc/71/75/00/961717500.db2.gz SSAOHJJOPXSSIF-GOSISDBHSA-N -1 0 341.407 3.808 20 0 EHADRM CC(C)[C@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccccc1F ZINC001588833472 961734376 /nfs/dbraw/zinc/73/43/76/961734376.db2.gz MQLHCSKUSKAULJ-PXAMLJHWSA-N -1 0 331.343 3.644 20 0 EHADRM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001588833396 961734659 /nfs/dbraw/zinc/73/46/59/961734659.db2.gz KSBSOJUSHKGBSZ-SIJIIQCFSA-N -1 0 345.370 3.514 20 0 EHADRM CSc1ccccc1CC(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001334153241 961762363 /nfs/dbraw/zinc/76/23/63/961762363.db2.gz AERKWFTWSLVYKI-MRXNPFEDSA-N -1 0 343.448 3.592 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CCCOCc1ccccc1 ZINC000262553939 961769690 /nfs/dbraw/zinc/76/96/90/961769690.db2.gz UJTOOFZTCNOTEB-UHFFFAOYSA-N -1 0 341.407 3.937 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000262717359 961822262 /nfs/dbraw/zinc/82/22/62/961822262.db2.gz DAJDTHUCKLHOHY-VVFCZOMOSA-N -1 0 335.419 3.544 20 0 EHADRM C[C@H](c1cc2ccccc2o1)N(C)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262754038 961848789 /nfs/dbraw/zinc/84/87/89/961848789.db2.gz YQTXTDKHMGRLHQ-MGPQQGTHSA-N -1 0 329.396 3.843 20 0 EHADRM CC1(CC(=O)N[C@H](CC(=O)[O-])c2ccc(C(F)(F)F)cc2)CC1 ZINC001334876800 961849402 /nfs/dbraw/zinc/84/94/02/961849402.db2.gz WTNHUUAYVZDNOP-GFCCVEGCSA-N -1 0 329.318 3.528 20 0 EHADRM CC[C@@H](C)Oc1ccc(NC(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC000262780960 961862971 /nfs/dbraw/zinc/86/29/71/961862971.db2.gz ZDNJUEKVGWANLG-CYBMUJFWSA-N -1 0 327.380 3.743 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)NCCCCCCC(=O)[O-] ZINC000262800768 961873830 /nfs/dbraw/zinc/87/38/30/961873830.db2.gz RLZDVMOIWGKIBU-CYBMUJFWSA-N -1 0 325.836 3.670 20 0 EHADRM C[C@H]1CCc2ccccc2[C@H]1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000262804672 961876071 /nfs/dbraw/zinc/87/60/71/961876071.db2.gz ONAIQEYJZYGCPK-XOBRGWDASA-N -1 0 337.419 3.757 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCc2ccc(Cl)c(Cl)c2)ccn1 ZINC001574526162 961882499 /nfs/dbraw/zinc/88/24/99/961882499.db2.gz WPVHTCNMUZUVGK-UHFFFAOYSA-N -1 0 339.178 3.658 20 0 EHADRM COc1cccc([C@@H](C)C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c1 ZINC000262835588 961901245 /nfs/dbraw/zinc/90/12/45/961901245.db2.gz BZOSVYRCINAIPT-OLZOCXBDSA-N -1 0 327.380 3.626 20 0 EHADRM CC[C@H](CC(=O)Nc1ccc(C(=O)[O-])cc1OC)c1ccccc1 ZINC000262837578 961903230 /nfs/dbraw/zinc/90/32/30/961903230.db2.gz BWWUMVNKJWQMLK-CYBMUJFWSA-N -1 0 327.380 3.916 20 0 EHADRM CC[C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000262837408 961903263 /nfs/dbraw/zinc/90/32/63/961903263.db2.gz GNTSCAYRMIVZGJ-GBESFXJTSA-N -1 0 337.419 3.507 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000262865776 961934083 /nfs/dbraw/zinc/93/40/83/961934083.db2.gz CIGYMNKZWKTMKH-CYBMUJFWSA-N -1 0 341.407 3.800 20 0 EHADRM C[C@@H](NC(=O)C[C@H]1CCC[C@@H](C)C1)c1ccc(OCC(=O)[O-])cc1 ZINC000262900215 961977240 /nfs/dbraw/zinc/97/72/40/961977240.db2.gz CXIYZXIDZKGLPK-KFWWJZLASA-N -1 0 333.428 3.544 20 0 EHADRM Cc1cccc2c1C(=O)N[C@H](c1ccc(-c3ccc(C(=O)[O-])cc3)o1)N2 ZINC001337554882 961982638 /nfs/dbraw/zinc/98/26/38/961982638.db2.gz NARKNEDVEPHVBZ-GOSISDBHSA-N -1 0 348.358 3.807 20 0 EHADRM C[C@H](CC(=O)NCCC(C)(C)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000262935844 962019081 /nfs/dbraw/zinc/01/90/81/962019081.db2.gz HIZKKKUBAHATPN-LLVKDONJSA-N -1 0 345.361 3.816 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000262940310 962023703 /nfs/dbraw/zinc/02/37/03/962023703.db2.gz HPWCFXCGDXZSNC-CZUORRHYSA-N -1 0 349.393 3.849 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)c2)cs1 ZINC000262945233 962030337 /nfs/dbraw/zinc/03/03/37/962030337.db2.gz NXAJEZNERJWKSF-JOCQHMNTSA-N -1 0 344.436 3.948 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)NCC1CC(c2ccccc2)C1 ZINC000262951196 962036953 /nfs/dbraw/zinc/03/69/53/962036953.db2.gz QREMNSOCIZQPIS-UHFFFAOYSA-N -1 0 337.419 3.627 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000262969110 962054882 /nfs/dbraw/zinc/05/48/82/962054882.db2.gz MPDPZEISNHHFGF-MUKKUYKPSA-N -1 0 348.402 3.646 20 0 EHADRM Cc1cccc(F)c1NC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000262998075 962092031 /nfs/dbraw/zinc/09/20/31/962092031.db2.gz FPHACFFTDYADCN-HNNXBMFYSA-N -1 0 344.386 3.732 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(Cl)c2occc21)c1ccccc1 ZINC001574587499 962114465 /nfs/dbraw/zinc/11/44/65/962114465.db2.gz CWPYBWMVNQQEBE-AWEZNQCLSA-N -1 0 329.739 3.642 20 0 EHADRM COCc1cc(NC(=O)C(C)(C)c2cccc(F)c2)cc(C(=O)[O-])c1 ZINC000263027646 962139095 /nfs/dbraw/zinc/13/90/95/962139095.db2.gz BPARJEJVPYCWQZ-UHFFFAOYSA-N -1 0 345.370 3.587 20 0 EHADRM CC(C)C[C@@H](NC(=O)[C@H](SCc1ccccc1)C(C)C)C(=O)[O-] ZINC001588880861 962144157 /nfs/dbraw/zinc/14/41/57/962144157.db2.gz IEAUTAANKMGFDC-HZPDHXFCSA-N -1 0 337.485 3.560 20 0 EHADRM Cc1oc2ccc(NC(=O)NC3CCC(C(=O)[O-])CC3)cc2c1C ZINC000263037338 962156652 /nfs/dbraw/zinc/15/66/52/962156652.db2.gz LIQQNYDCLWDLFY-UHFFFAOYSA-N -1 0 330.384 3.815 20 0 EHADRM CC(C)C[C@@H](NC(=O)Nc1ccccc1N(C)C1CCCC1)C(=O)[O-] ZINC001588884366 962168598 /nfs/dbraw/zinc/16/85/98/962168598.db2.gz UUPOZZTWDVNXDK-MRXNPFEDSA-N -1 0 347.459 3.686 20 0 EHADRM CC(C)C[C@H](CNC(=O)N[C@H](C)CCCC(F)(F)F)CC(=O)[O-] ZINC001588892792 962213509 /nfs/dbraw/zinc/21/35/09/962213509.db2.gz GSNMLJFGIQMKER-NEPJUHHUSA-N -1 0 340.386 3.544 20 0 EHADRM Cc1cc(C(=O)N2CC=C(c3ccc(C)cc3)CC2)oc1C(=O)[O-] ZINC001345095709 962226526 /nfs/dbraw/zinc/22/65/26/962226526.db2.gz JLLFPQONHQAZBS-UHFFFAOYSA-N -1 0 325.364 3.524 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(C(=O)C[C@@H]2C=CCC2)CC1 ZINC000263083763 962230487 /nfs/dbraw/zinc/23/04/87/962230487.db2.gz SFKGNAYWLDXZLP-OAHLLOKOSA-N -1 0 327.424 3.522 20 0 EHADRM C[C@@H]1CC[C@@](NC(=O)c2ccoc2C2CC2)(C(=O)[O-])c2ccccc21 ZINC001345183171 962257965 /nfs/dbraw/zinc/25/79/65/962257965.db2.gz BHTHDPPAGIWPAG-ODXCJYRJSA-N -1 0 339.391 3.764 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)cc1 ZINC001588905957 962271686 /nfs/dbraw/zinc/27/16/86/962271686.db2.gz BQWILAUVOBZBPN-RVKKMQEKSA-N -1 0 331.456 3.700 20 0 EHADRM O=C([O-])C1(C(=O)N2C[C@H](c3ccccc3)c3ccccc32)CC=CC1 ZINC001574625843 962275448 /nfs/dbraw/zinc/27/54/48/962275448.db2.gz YLQWJHJEQYWQFM-QGZVFWFLSA-N -1 0 333.387 3.586 20 0 EHADRM CC(C)c1cccc2c1CCN(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)C2 ZINC000263126564 962278869 /nfs/dbraw/zinc/27/88/69/962278869.db2.gz XKPBDSVXLWVKAI-CABCVRRESA-N -1 0 329.440 3.586 20 0 EHADRM CC(C)Cc1ccccc1CNC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001588906801 962288586 /nfs/dbraw/zinc/28/85/86/962288586.db2.gz XRYDDOIJLVWVIG-CSKARUKUSA-N -1 0 327.380 3.506 20 0 EHADRM COCc1cc(NC(=O)C(C)(C)Cc2ccccc2)cc(C(=O)[O-])c1 ZINC000263139578 962294431 /nfs/dbraw/zinc/29/44/31/962294431.db2.gz VATQTVPTLOSKFB-UHFFFAOYSA-N -1 0 341.407 3.739 20 0 EHADRM Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)c(C)n1C1CCCCC1 ZINC000263156736 962308075 /nfs/dbraw/zinc/30/80/75/962308075.db2.gz VEQKWSLKJOELOC-BBRMVZONSA-N -1 0 332.444 3.545 20 0 EHADRM O=C([O-])CCCCCCNC(=O)C1(c2c(F)cccc2F)CCC1 ZINC000263164037 962315211 /nfs/dbraw/zinc/31/52/11/962315211.db2.gz IQXNXSPKBWTIIR-UHFFFAOYSA-N -1 0 339.382 3.538 20 0 EHADRM CC(C)Cn1ncc(NC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)c1C(C)C ZINC001588911622 962319444 /nfs/dbraw/zinc/31/94/44/962319444.db2.gz IXFVFNOYGACBIP-UHFFFAOYSA-N -1 0 349.475 3.738 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)c1 ZINC000263168752 962320529 /nfs/dbraw/zinc/32/05/29/962320529.db2.gz QXCBMTYKUURHKV-SJORKVTESA-N -1 0 327.355 3.585 20 0 EHADRM O=C([O-])C1(C(=O)Oc2ccc(Cl)c(C(F)(F)F)c2)CC=CC1 ZINC001574638437 962325571 /nfs/dbraw/zinc/32/55/71/962325571.db2.gz LMZRKXLKDWFQCZ-UHFFFAOYSA-N -1 0 334.677 3.685 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccccc1Sc1ccccc1 ZINC000263172809 962325858 /nfs/dbraw/zinc/32/58/58/962325858.db2.gz KVTHNCOOWNLIHP-HIFRSBDPSA-N -1 0 341.432 3.773 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000263174791 962328951 /nfs/dbraw/zinc/32/89/51/962328951.db2.gz JRRRWJQKVPZZJF-LBPRGKRZSA-N -1 0 347.361 3.799 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000263195642 962349170 /nfs/dbraw/zinc/34/91/70/962349170.db2.gz JCZAPTVPSSYYRG-STQMWFEESA-N -1 0 329.371 3.831 20 0 EHADRM C[C@@H](CC(=O)NCc1ccc(C(=O)[O-])s1)c1ccc(F)cc1F ZINC000263195577 962350146 /nfs/dbraw/zinc/35/01/46/962350146.db2.gz LUXLPHSHZGAKIO-VIFPVBQESA-N -1 0 339.363 3.535 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cccc([C@@H]3CCOC3)c2)cc1 ZINC000263197301 962351789 /nfs/dbraw/zinc/35/17/89/962351789.db2.gz JIXOGILWNWLBHO-CXAGYDPISA-N -1 0 339.391 3.631 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000263213313 962368323 /nfs/dbraw/zinc/36/83/23/962368323.db2.gz LTJBUBKSXZTCID-BZNIZROVSA-N -1 0 341.860 3.534 20 0 EHADRM Cc1oc(-c2ccccc2)c(C(=O)NC2CCC(C(=O)[O-])CC2)c1C ZINC000263219208 962373411 /nfs/dbraw/zinc/37/34/11/962373411.db2.gz YHZRJQDMZRZATL-UHFFFAOYSA-N -1 0 341.407 3.937 20 0 EHADRM Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)sc1-c1ccc(F)cc1 ZINC000263234317 962381851 /nfs/dbraw/zinc/38/18/51/962381851.db2.gz SLASRTGEBIAEOT-FZMZJTMJSA-N -1 0 347.411 3.798 20 0 EHADRM CC[C@@H](CC(=O)N[C@](C)(CC(=O)[O-])c1cccc(OC)c1)C(C)C ZINC000263244078 962388330 /nfs/dbraw/zinc/38/83/30/962388330.db2.gz UKSUXMLMVQXPQA-IFXJQAMLSA-N -1 0 335.444 3.574 20 0 EHADRM CC(C)c1ccc(C[C@@H](C)NC(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC000263283066 962422367 /nfs/dbraw/zinc/42/23/67/962422367.db2.gz OWXUMYSYNJUTQL-OAHLLOKOSA-N -1 0 339.435 3.798 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000263309808 962451923 /nfs/dbraw/zinc/45/19/23/962451923.db2.gz GEWRYVLPTQHXHG-SFHVURJKSA-N -1 0 343.810 3.848 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000263325587 962469980 /nfs/dbraw/zinc/46/99/80/962469980.db2.gz SPDCWSXRAYFTDE-UHFFFAOYSA-N -1 0 330.211 3.523 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)c1 ZINC000263334309 962480986 /nfs/dbraw/zinc/48/09/86/962480986.db2.gz QNAZHMRYPJQDCK-VQISRLSMSA-N -1 0 345.345 3.895 20 0 EHADRM C[C@H]1CCN(C(=O)Cc2ccc(C(=O)[O-])cc2)[C@H]1c1cccc(F)c1 ZINC000263333557 962481656 /nfs/dbraw/zinc/48/16/56/962481656.db2.gz MUJRTGFNRRKTLJ-ORAYPTAESA-N -1 0 341.382 3.676 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000263337325 962485548 /nfs/dbraw/zinc/48/55/48/962485548.db2.gz RBNDQWIFPQWGQX-ZIAGYGMSSA-N -1 0 333.428 3.941 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N(C)[C@H](c1ccccc1)C(C)C ZINC000263374838 962532357 /nfs/dbraw/zinc/53/23/57/962532357.db2.gz AQGYUTIDWWBNRT-SFHVURJKSA-N -1 0 329.396 3.684 20 0 EHADRM Cc1nc(C2CC2)oc1C(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1 ZINC000263385177 962544617 /nfs/dbraw/zinc/54/46/17/962544617.db2.gz DPDTUHVOUQASQD-HNNXBMFYSA-N -1 0 348.443 3.794 20 0 EHADRM CCC(C)(C)NC(=O)c1ccc(NCc2cccc(C(=O)[O-])c2)cc1 ZINC000263389776 962548884 /nfs/dbraw/zinc/54/88/84/962548884.db2.gz DXPUQFNRCYWNOD-UHFFFAOYSA-N -1 0 340.423 3.915 20 0 EHADRM CC(C)[C@@H](NC(=O)CC(C)(C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001588945195 962553099 /nfs/dbraw/zinc/55/30/99/962553099.db2.gz FZAUBFNPFYNNHB-OAHLLOKOSA-N -1 0 325.836 3.524 20 0 EHADRM COc1ccc(CC(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)cc1 ZINC000263405390 962569367 /nfs/dbraw/zinc/56/93/67/962569367.db2.gz KKECIOZBOJULGF-QGZVFWFLSA-N -1 0 347.455 3.558 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N(C)[C@H](C)c1cccc(Cl)c1 ZINC000263406081 962572237 /nfs/dbraw/zinc/57/22/37/962572237.db2.gz HTZCWTYGYDDOBS-LLVKDONJSA-N -1 0 335.787 3.702 20 0 EHADRM O=C([O-])C1(CNC(=O)c2ccccc2SCc2cccs2)CC1 ZINC000263432658 962608814 /nfs/dbraw/zinc/60/88/14/962608814.db2.gz KYDLLQYVTSJTNY-UHFFFAOYSA-N -1 0 347.461 3.635 20 0 EHADRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)c1[nH]c2ccccc2c1Cl ZINC000263455877 962644225 /nfs/dbraw/zinc/64/42/25/962644225.db2.gz PBEQGSIEKABGSU-YPMHNXCESA-N -1 0 334.803 3.585 20 0 EHADRM C[C@H]1CCN(C(=O)NC2CCC(C(=O)[O-])CC2)CC12CCCCC2 ZINC000263477534 962662639 /nfs/dbraw/zinc/66/26/39/962662639.db2.gz NAOWDWZTCAKZNK-FHERZECASA-N -1 0 336.476 3.632 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N3CCC[C@H](C)[C@H]3C(=O)[O-])[nH]c2c1 ZINC001588969569 962665280 /nfs/dbraw/zinc/66/52/80/962665280.db2.gz JIYQKQQHMGKUDZ-SJCJKPOMSA-N -1 0 328.412 3.617 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1ccccc1NC(=O)c1cccs1 ZINC001574699843 962677498 /nfs/dbraw/zinc/67/74/98/962677498.db2.gz VYDJTQUOKGQGGV-UHFFFAOYSA-N -1 0 346.408 3.584 20 0 EHADRM O=C([O-])c1cccc(N2CCC(C(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000263493474 962677935 /nfs/dbraw/zinc/67/79/35/962677935.db2.gz JCFNSQCHLCPLPE-UHFFFAOYSA-N -1 0 344.798 3.533 20 0 EHADRM CC(C)CC(=O)Nc1ccc(NCc2cccc(C(=O)[O-])c2)cc1 ZINC000263501357 962684346 /nfs/dbraw/zinc/68/43/46/962684346.db2.gz VPBRTOUJOKNEMZ-UHFFFAOYSA-N -1 0 326.396 3.982 20 0 EHADRM Cc1ccc(NCc2cccc(C(=O)[O-])c2)c(OC[C@H]2CCCO2)c1 ZINC000263510081 962691402 /nfs/dbraw/zinc/69/14/02/962691402.db2.gz YLYMTUCMOXPOJU-QGZVFWFLSA-N -1 0 341.407 3.863 20 0 EHADRM CCCOc1cc(OC)ccc1C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000263550770 962723677 /nfs/dbraw/zinc/72/36/77/962723677.db2.gz WHCLBZVKHWMHNK-UHFFFAOYSA-N -1 0 343.379 3.743 20 0 EHADRM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000263566218 962732547 /nfs/dbraw/zinc/73/25/47/962732547.db2.gz GATOXGYYMHLXBG-HOTGVXAUSA-N -1 0 327.380 3.695 20 0 EHADRM C[C@@H](CC(=O)NCc1cccc(C(=O)[O-])c1)c1c[nH]c2ccccc21 ZINC001588988726 962788294 /nfs/dbraw/zinc/78/82/94/962788294.db2.gz FROANZPBHGXREX-ZDUSSCGKSA-N -1 0 336.391 3.676 20 0 EHADRM COc1cc(Cl)ccc1NC(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001574185449 962827718 /nfs/dbraw/zinc/82/77/18/962827718.db2.gz RQTSPOVLQFQAKO-NSHDSACASA-N -1 0 342.823 3.607 20 0 EHADRM O=C([O-])COc1cccc(C(=O)N[C@@H](C2CCC2)C2CCCCC2)c1 ZINC001574737735 962860300 /nfs/dbraw/zinc/86/03/00/962860300.db2.gz UQKGDLHOTFKLRE-LJQANCHMSA-N -1 0 345.439 3.629 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001574201636 962887397 /nfs/dbraw/zinc/88/73/97/962887397.db2.gz BIQSCIMHMPFJLR-XJKSGUPXSA-N -1 0 335.444 3.585 20 0 EHADRM COc1ccc([C@@H](NCCC2(C(=O)[O-])CCC2)C(F)(F)F)cc1 ZINC001574204722 962903952 /nfs/dbraw/zinc/90/39/52/962903952.db2.gz GMDZFLRRJSZNGT-CYBMUJFWSA-N -1 0 331.334 3.533 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)C1 ZINC000263381347 1125485133 /nfs/dbraw/zinc/48/51/33/1125485133.db2.gz XIPIYEIEVPWMSJ-YNVCXSHYSA-N -1 0 333.472 3.552 20 0 EHADRM COc1ccc2c(c1)C[C@H](C(C)C)CN2C(=O)C1(CC(=O)[O-])CCC1 ZINC001574225436 962970996 /nfs/dbraw/zinc/97/09/96/962970996.db2.gz ATIBBMCRYXYNJE-HNNXBMFYSA-N -1 0 345.439 3.502 20 0 EHADRM CC(=O)[C@@H]1C[C@H](C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)C1(C)C ZINC001573357148 963013575 /nfs/dbraw/zinc/01/35/75/963013575.db2.gz XUFITJHDYVVNKS-NWDGAFQWSA-N -1 0 349.452 3.515 20 0 EHADRM CC(C)(C)C[C@@H]1CCN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)C1 ZINC000307838514 963231922 /nfs/dbraw/zinc/23/19/22/963231922.db2.gz XSDZEYGPFRBAEN-HNNXBMFYSA-N -1 0 332.444 3.994 20 0 EHADRM CCCC[C@@H](NC(=O)CCOc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000314552126 963768335 /nfs/dbraw/zinc/76/83/35/963768335.db2.gz ZCNIGVWPOYYCAK-CYBMUJFWSA-N -1 0 348.226 3.522 20 0 EHADRM COc1cc(Cl)ccc1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000314653479 963785409 /nfs/dbraw/zinc/78/54/09/963785409.db2.gz NBSHVANBNVXJEA-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2c(F)cccc2Cl)CCCCC1 ZINC000314673843 963788235 /nfs/dbraw/zinc/78/82/35/963788235.db2.gz PHQCYKFZWQXFOD-UHFFFAOYSA-N -1 0 327.783 3.634 20 0 EHADRM CC(C)N(C)c1ccc(N[C@@H](C)c2ncc(C(=O)[O-])s2)cc1F ZINC000314912027 963828484 /nfs/dbraw/zinc/82/84/84/963828484.db2.gz GPKPFWKPYXSEPF-JTQLQIEISA-N -1 0 337.420 3.998 20 0 EHADRM CCOc1ccc(N[C@H](C)c2ncc(C(=O)[O-])s2)cc1OCC ZINC000314925903 963831033 /nfs/dbraw/zinc/83/10/33/963831033.db2.gz IHDKGBFWIOTPIA-SNVBAGLBSA-N -1 0 336.413 3.812 20 0 EHADRM O=C([O-])c1ccc(COc2ccc(Cl)cc2[N+](=O)[O-])c(F)c1 ZINC000315855953 963943494 /nfs/dbraw/zinc/94/34/94/963943494.db2.gz JUFZSKYNBNNFQX-UHFFFAOYSA-N -1 0 325.679 3.665 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)c1ccccc1OCc1ccc(Cl)cc1 ZINC000237636506 967784555 /nfs/dbraw/zinc/78/45/55/967784555.db2.gz MADVYDGJNOYHKV-GFCCVEGCSA-N -1 0 347.798 3.512 20 0 EHADRM C[C@@H](NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)c1cccc2ccccc21 ZINC000263095419 967845997 /nfs/dbraw/zinc/84/59/97/967845997.db2.gz APMUASKWNOEWOS-IIAWOOMASA-N -1 0 340.423 3.653 20 0 EHADRM COc1cc(Cl)c(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)cc1Cl ZINC000263308482 967868740 /nfs/dbraw/zinc/86/87/40/967868740.db2.gz HQQADHQFVNOMIJ-NXEZZACHSA-N -1 0 332.227 3.687 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000392112442 968196471 /nfs/dbraw/zinc/19/64/71/968196471.db2.gz BPLQVDFSOKGFLH-KGLIPLIRSA-N -1 0 334.416 3.583 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)/C=C/c2cc(Cl)cc(Cl)c2)C1 ZINC000398772264 968277177 /nfs/dbraw/zinc/27/71/77/968277177.db2.gz CWJBUFAKPHTLKI-AKDQNTJRSA-N -1 0 342.222 3.576 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)NCCCCCC(=O)[O-] ZINC000414630899 968339049 /nfs/dbraw/zinc/33/90/49/968339049.db2.gz VCWAHXOSNFBWSP-BFYDXBDKSA-N -1 0 332.444 3.608 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)N(C)CCCC(=O)[O-])ccc21 ZINC000417755794 968344925 /nfs/dbraw/zinc/34/49/25/968344925.db2.gz LVEZQEGZDJAEFL-UHFFFAOYSA-N -1 0 331.416 3.626 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000532874995 968401209 /nfs/dbraw/zinc/40/12/09/968401209.db2.gz AAKUDEVOJBHVCV-HZPDHXFCSA-N -1 0 347.455 3.599 20 0 EHADRM CC(C)C[C@H](NC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000571759125 968447727 /nfs/dbraw/zinc/44/77/27/968447727.db2.gz BCNTZJWRBHHBNF-OIISXLGYSA-N -1 0 332.444 3.526 20 0 EHADRM CCSCc1ccc(NC(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000600964908 968506761 /nfs/dbraw/zinc/50/67/61/968506761.db2.gz HNWPKFBUJFDNSE-IUODEOHRSA-N -1 0 336.457 3.514 20 0 EHADRM CC(F)(F)c1ccccc1NC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647703608 968579836 /nfs/dbraw/zinc/57/98/36/968579836.db2.gz VMXRXROKAVQSLP-UHFFFAOYSA-N -1 0 326.343 3.517 20 0 EHADRM C[C@H](CNC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000655888405 968705579 /nfs/dbraw/zinc/70/55/79/968705579.db2.gz KNKFXZFYJPQOIX-NOZJJQNGSA-N -1 0 345.226 3.561 20 0 EHADRM C[C@H](CN(C)C(=O)C1(c2c(Cl)cccc2Cl)CCC1)C(=O)[O-] ZINC000659131693 968724330 /nfs/dbraw/zinc/72/43/30/968724330.db2.gz VBPALULGCVXGLU-SNVBAGLBSA-N -1 0 344.238 3.594 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1c1ccc(-c2ccc(Cl)s2)nn1 ZINC000662893583 968760900 /nfs/dbraw/zinc/76/09/00/968760900.db2.gz LYOUONYPBQBPJM-ZJUUUORDSA-N -1 0 337.832 3.548 20 0 EHADRM Cc1cc(Br)c(Cl)cc1NC(=O)C1(C(=O)[O-])CCC1 ZINC000663127916 968825081 /nfs/dbraw/zinc/82/50/81/968825081.db2.gz WASARSIVCQGDQF-UHFFFAOYSA-N -1 0 346.608 3.604 20 0 EHADRM Cc1cc(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)oc1C ZINC000682188284 968870229 /nfs/dbraw/zinc/87/02/29/968870229.db2.gz UIKDWSYONFQMSL-UHFFFAOYSA-N -1 0 327.380 3.614 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)/C=C\c2ccc(F)c3ccccc23)CC1 ZINC000864131494 969320156 /nfs/dbraw/zinc/32/01/56/969320156.db2.gz XAZOODYJOGERHM-CLFYSBASSA-N -1 0 341.382 3.705 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)C(=O)Cc1coc2c1ccc(Cl)c2Cl ZINC000864179544 969325844 /nfs/dbraw/zinc/32/58/44/969325844.db2.gz BEYMVZRWHNHWLZ-LLVKDONJSA-N -1 0 344.194 3.604 20 0 EHADRM C[C@]1(c2ccccc2)CCCN1C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC000902696413 969556929 /nfs/dbraw/zinc/55/69/29/969556929.db2.gz JVOYHGHRIFBPRT-CSHXORCISA-N -1 0 325.364 3.529 20 0 EHADRM Cc1nc(-c2cccc(C(=O)N3[C@H](C)CCC[C@@H]3C(=O)[O-])c2)cs1 ZINC000905270717 969610326 /nfs/dbraw/zinc/61/03/26/969610326.db2.gz AZJZITAQHOAVBR-BDJLRTHQSA-N -1 0 344.436 3.586 20 0 EHADRM Cc1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)c(F)c1Cl ZINC001574351339 969855494 /nfs/dbraw/zinc/85/54/94/969855494.db2.gz OWJZNJSXEDZEIE-QGZVFWFLSA-N -1 0 335.762 3.517 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(SC3CC3)cc2)C1 ZINC001589604966 969956824 /nfs/dbraw/zinc/95/68/24/969956824.db2.gz ZHDXOHVHDBPSPB-GOSISDBHSA-N -1 0 333.453 3.658 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)CCSc1ccc(Cl)cc1 ZINC000317485696 970364222 /nfs/dbraw/zinc/36/42/22/970364222.db2.gz DEJSILDMNOVOPI-UHFFFAOYSA-N -1 0 336.800 3.554 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)c1ccc(F)c(Cl)c1 ZINC000318829117 970477174 /nfs/dbraw/zinc/47/71/74/970477174.db2.gz ZIBOWVAODHUKKV-CQSZACIVSA-N -1 0 327.783 3.633 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)c1ccc(F)cc1Cl ZINC000318895335 970485435 /nfs/dbraw/zinc/48/54/35/970485435.db2.gz PIDVWOKGNLUZLJ-CQSZACIVSA-N -1 0 327.783 3.633 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2cc(Cl)ncc2Cl)c1 ZINC000318889990 970485789 /nfs/dbraw/zinc/48/57/89/970485789.db2.gz PUHRUIOQQMWXQS-UHFFFAOYSA-N -1 0 339.178 3.658 20 0 EHADRM C[C@H]1CCN(C(=O)CCSc2ccccc2Cl)[C@@H](C(=O)[O-])C1 ZINC000319368393 970530935 /nfs/dbraw/zinc/53/09/35/970530935.db2.gz YKNSGEFHNKCVJQ-WCQYABFASA-N -1 0 341.860 3.534 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)c2cc(Cl)ncc2Cl)c1F ZINC000319820356 970576164 /nfs/dbraw/zinc/57/61/64/970576164.db2.gz BWZBINPEJXXIIW-UHFFFAOYSA-N -1 0 347.104 3.617 20 0 EHADRM Cc1ccc(NC(=O)COc2ccc(Cl)cc2C)c(C(=O)[O-])c1 ZINC000320052116 970607501 /nfs/dbraw/zinc/60/75/01/970607501.db2.gz RMKNHUVKZYELQX-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM Cc1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)c(C(=O)[O-])c1 ZINC000320686333 970699578 /nfs/dbraw/zinc/69/95/78/970699578.db2.gz PQLKACUXOUKMOW-UHFFFAOYSA-N -1 0 327.233 3.502 20 0 EHADRM Cc1cc(C(=O)[O-])c(NC(=O)Cc2ccc(OC(F)F)cc2)s1 ZINC000320731235 970707258 /nfs/dbraw/zinc/70/72/58/970707258.db2.gz USGKOYYXNWJICU-UHFFFAOYSA-N -1 0 341.335 3.537 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2ccccc2SC(F)(F)F)n1 ZINC000320798075 970715683 /nfs/dbraw/zinc/71/56/83/970715683.db2.gz JHKSJDAMUPTABA-UHFFFAOYSA-N -1 0 342.298 3.644 20 0 EHADRM CC(C)(C)c1nc(CN2CCc3ccccc3[C@H]2C(=O)[O-])cs1 ZINC000320892488 970726573 /nfs/dbraw/zinc/72/65/73/970726573.db2.gz SYDGHNFPSKBWMP-HNNXBMFYSA-N -1 0 330.453 3.625 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc(F)c(F)c(F)c2F)ccc1Cl ZINC000321192474 970752056 /nfs/dbraw/zinc/75/20/56/970752056.db2.gz VBTLSASQCOXJFQ-UHFFFAOYSA-N -1 0 347.651 3.847 20 0 EHADRM CSc1ccc(/C=C/C(=O)N[C@H](C(=O)[O-])c2cccc(C)c2)s1 ZINC001604965127 972554639 /nfs/dbraw/zinc/55/46/39/972554639.db2.gz WAYPGMPHMOEPFM-BVBGJJFLSA-N -1 0 347.461 3.734 20 0 EHADRM CSc1ccc([C@H](C)NC(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC001604971613 972562684 /nfs/dbraw/zinc/56/26/84/972562684.db2.gz COSWEWFYMHOFLB-LBPRGKRZSA-N -1 0 344.436 3.667 20 0 EHADRM CC(C)(C)c1ccc(CSCC(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC001603298022 972573060 /nfs/dbraw/zinc/57/30/60/972573060.db2.gz IFPWLGPCFFTVRA-IBGZPJMESA-N -1 0 349.496 3.541 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1c(F)cc(Cl)cc1F)c1ccccc1 ZINC001605840292 972577934 /nfs/dbraw/zinc/57/79/34/972577934.db2.gz OMSNDGQGPCSFNU-LBPRGKRZSA-N -1 0 340.713 3.566 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@@H](c2ccccn2)C2CCC2)c(F)c1 ZINC001605846980 972590606 /nfs/dbraw/zinc/59/06/06/972590606.db2.gz ILCCRUKMBCMGRR-MRXNPFEDSA-N -1 0 343.358 3.582 20 0 EHADRM CN(Cc1cc2ccccc2[nH]1)C(=O)C1(C(=O)[O-])CCCCCC1 ZINC001604187080 972612762 /nfs/dbraw/zinc/61/27/62/972612762.db2.gz FAOHMXNYIFDQRM-UHFFFAOYSA-N -1 0 328.412 3.552 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NCc1ccc(OC2CCCCC2)cc1 ZINC001603320414 972635391 /nfs/dbraw/zinc/63/53/91/972635391.db2.gz FPSBURWIQVPKCX-HXUWFJFHSA-N -1 0 345.439 3.515 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)ccn1 ZINC001605869228 972636589 /nfs/dbraw/zinc/63/65/89/972636589.db2.gz XZOZXNYUSOZUDA-DLBZAZTESA-N -1 0 347.374 3.611 20 0 EHADRM C[C@H](NC(=O)[C@@]1(C(=O)[O-])CC1(C)C)c1ccc(Cl)cc1Cl ZINC001605040970 972649548 /nfs/dbraw/zinc/64/95/48/972649548.db2.gz DHRKVYPMKBUCRW-VXJOIVPMSA-N -1 0 330.211 3.672 20 0 EHADRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)CSC(C)C ZINC000394117017 972675190 /nfs/dbraw/zinc/67/51/90/972675190.db2.gz SUZKULWAZSTEHG-UHFFFAOYSA-N -1 0 346.246 3.536 20 0 EHADRM O=C([O-])[C@H](C(=O)N[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC001605893355 972702013 /nfs/dbraw/zinc/70/20/13/972702013.db2.gz WVYXLJOVAHFJBD-BMFZPTHFSA-N -1 0 335.831 3.593 20 0 EHADRM CC1=Nc2ccccc2C12CCN(C(=O)c1cccc(C(=O)[O-])c1)CC2 ZINC001603352655 972778116 /nfs/dbraw/zinc/77/81/16/972778116.db2.gz WJTPDCGRDIPYPZ-UHFFFAOYSA-N -1 0 348.402 3.665 20 0 EHADRM C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001603354402 972788957 /nfs/dbraw/zinc/78/89/57/972788957.db2.gz IMWQHEUFYKRGAN-GWCFXTLKSA-N -1 0 344.333 3.508 20 0 EHADRM Cc1cc(C(F)(F)F)cc(C)c1NC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001605145360 972822237 /nfs/dbraw/zinc/82/22/37/972822237.db2.gz AQLCWXNIYOCTJP-HNNXBMFYSA-N -1 0 344.333 3.651 20 0 EHADRM COc1ccc(/C=C/C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cc1 ZINC000396439524 972887615 /nfs/dbraw/zinc/88/76/15/972887615.db2.gz NBMQFDSJDYKFFK-YQJFHSMKSA-N -1 0 325.364 3.535 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2ccc(C(F)(F)F)cn2)cc1 ZINC000396539102 972915144 /nfs/dbraw/zinc/91/51/44/972915144.db2.gz ZDMGJFCXZHBINC-VIFPVBQESA-N -1 0 338.285 3.541 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)CSCc2ccc(F)cc2)cc1 ZINC000396597663 972920463 /nfs/dbraw/zinc/92/04/63/972920463.db2.gz BZVVUXBGBUZXAX-GFCCVEGCSA-N -1 0 347.411 3.886 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001603391246 973006714 /nfs/dbraw/zinc/00/67/14/973006714.db2.gz GRZVZUUDNVTHKJ-QBPKDAKJSA-N -1 0 338.492 3.591 20 0 EHADRM Cc1ccc(C(F)(F)C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC001605256495 973027004 /nfs/dbraw/zinc/02/70/04/973027004.db2.gz ATTMBQJBUWJGKB-HZPDHXFCSA-N -1 0 345.345 3.516 20 0 EHADRM Cc1ccc([C@H]2CCC[C@H]2OC(=O)c2ccc(C(=O)[O-])cn2)cc1 ZINC001605262985 973040144 /nfs/dbraw/zinc/04/01/44/973040144.db2.gz PRLPYGJDVMIOGX-NVXWUHKLSA-N -1 0 325.364 3.581 20 0 EHADRM Cc1ccc(NC(=O)Nc2cccnc2C(=O)[O-])cc1OC(C)C ZINC001605294375 973106091 /nfs/dbraw/zinc/10/60/91/973106091.db2.gz XRQVBYUJJIVHKZ-UHFFFAOYSA-N -1 0 329.356 3.519 20 0 EHADRM COC(=O)c1ccc(NC(=O)c2cccc(C(=O)[O-])c2)c2ccccc12 ZINC001604390572 973116894 /nfs/dbraw/zinc/11/68/94/973116894.db2.gz AZHGOLNWVUFQHG-UHFFFAOYSA-N -1 0 349.342 3.577 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)C3(C(=O)[O-])CC=CC3)cc2)nc1 ZINC001605303202 973119342 /nfs/dbraw/zinc/11/93/42/973119342.db2.gz USLFYZPESXBNFZ-UHFFFAOYSA-N -1 0 338.363 3.542 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2cc3ccc(Cl)cc3[nH]2)C(=O)[O-])c1 ZINC001605328450 973182891 /nfs/dbraw/zinc/18/28/91/973182891.db2.gz NKPAIELIIDJHSQ-MRXNPFEDSA-N -1 0 342.782 3.685 20 0 EHADRM C[C@H]1CCc2c(sc(NC(=O)/C=C\c3cccnc3)c2C(=O)[O-])C1 ZINC001603434016 973195844 /nfs/dbraw/zinc/19/58/44/973195844.db2.gz LUYZMGRHZIJYAH-XOIDGJRKSA-N -1 0 342.420 3.618 20 0 EHADRM CC(C)SCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001603435060 973202851 /nfs/dbraw/zinc/20/28/51/973202851.db2.gz XDUKATCPYAHUJF-SECBINFHSA-N -1 0 327.471 3.651 20 0 EHADRM Cc1ccccc1C1CCN(C(=O)NC[C@H](CC(C)C)C(=O)[O-])CC1 ZINC001605355893 973268202 /nfs/dbraw/zinc/26/82/02/973268202.db2.gz YFGXAVVKCGVRNX-KRWDZBQOSA-N -1 0 346.471 3.631 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CC[C@H]1C(=O)[O-] ZINC001603454209 973272967 /nfs/dbraw/zinc/27/29/67/973272967.db2.gz RFDNAQLLKHKCRL-PSASIEDQSA-N -1 0 349.736 3.542 20 0 EHADRM Cc1cnc(F)cc1C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001605374201 973322323 /nfs/dbraw/zinc/32/23/23/973322323.db2.gz SYLROPGZDQWLIJ-QMMMGPOBSA-N -1 0 348.399 3.666 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-] ZINC000401412700 973363614 /nfs/dbraw/zinc/36/36/14/973363614.db2.gz BIPLXDDCXCIDEZ-MFKMUULPSA-N -1 0 343.876 3.826 20 0 EHADRM O=C([O-])CCCCCNC(=O)N1CC2(CCCC2)[C@H]1c1ccco1 ZINC001606147513 973405397 /nfs/dbraw/zinc/40/53/97/973405397.db2.gz LROIAGWZAPYWLO-MRXNPFEDSA-N -1 0 334.416 3.551 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)N[C@H]2CCSC3(CCC3)C2)c1 ZINC001606210699 973460736 /nfs/dbraw/zinc/46/07/36/973460736.db2.gz VZUWUTVZTCVFEX-HNNXBMFYSA-N -1 0 348.468 3.644 20 0 EHADRM CCC(CC)(CNC(=O)Nc1c(C)noc1-c1ccccc1)C(=O)[O-] ZINC001603536866 973591466 /nfs/dbraw/zinc/59/14/66/973591466.db2.gz OCLPSHDUDGQEJO-UHFFFAOYSA-N -1 0 345.399 3.663 20 0 EHADRM Cn1cc(C(=O)Nc2cccc(CCC(=O)[O-])c2)c2cc(F)ccc21 ZINC001605484333 973610484 /nfs/dbraw/zinc/61/04/84/973610484.db2.gz WZMCLKNKIJQMSV-UHFFFAOYSA-N -1 0 340.354 3.587 20 0 EHADRM CC(C)Oc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cn1 ZINC000460830157 1032082981 /nfs/dbraw/zinc/08/29/81/1032082981.db2.gz QYXBDKFFLRFIAI-UHFFFAOYSA-N -1 0 334.441 3.793 20 0 EHADRM CC[C@@H](Cc1ccc(F)cc1)NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001603575585 973723852 /nfs/dbraw/zinc/72/38/52/973723852.db2.gz VPTIFWAJNROBHC-HNNXBMFYSA-N -1 0 330.359 3.667 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)NC[C@H](c2ccccc2)C2CC2)c1 ZINC001606311362 973724050 /nfs/dbraw/zinc/72/40/50/973724050.db2.gz PSTATCDSWKOAHP-GOSISDBHSA-N -1 0 338.407 3.629 20 0 EHADRM Cn1nc(C(=O)[O-])cc1CN1CCCc2cc(-c3ccccc3)ccc21 ZINC001605538800 973731925 /nfs/dbraw/zinc/73/19/25/973731925.db2.gz IHCJUGHKAIAQKZ-UHFFFAOYSA-N -1 0 347.418 3.738 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)Nc2ccc3c(c2)CCCC3)CC1 ZINC000404641148 973739862 /nfs/dbraw/zinc/73/98/62/973739862.db2.gz LQPLVDSXGOIAFO-UHFFFAOYSA-N -1 0 330.428 3.674 20 0 EHADRM O=C([O-])Cc1noc(-c2ccccc2OCc2ccc(Cl)cc2)n1 ZINC001606324375 973740898 /nfs/dbraw/zinc/74/08/98/973740898.db2.gz DKJGEZUJTLXSFR-UHFFFAOYSA-N -1 0 344.754 3.596 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CCCC3)C1 ZINC000404707141 973743001 /nfs/dbraw/zinc/74/30/01/973743001.db2.gz YHFRUBNSOZDZJD-MRXNPFEDSA-N -1 0 344.455 3.920 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC001603600594 973841393 /nfs/dbraw/zinc/84/13/93/973841393.db2.gz NOOUBTKGJFTHGG-UVWXRNBGSA-N -1 0 341.860 3.608 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CC[C@@H](c2ccccc2)c2ccccc21 ZINC001606399911 973851088 /nfs/dbraw/zinc/85/10/88/973851088.db2.gz BEZAIBJJOAUPDP-CGTJXYLNSA-N -1 0 335.403 3.666 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)N[C@H](C)c2ccc3c(c2)CCC3)C1 ZINC001603601737 973858973 /nfs/dbraw/zinc/85/89/73/973858973.db2.gz YHJFLZJNTNITRJ-VLIAUNLRSA-N -1 0 344.455 3.523 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(C)c(C(F)(F)F)c2)C1 ZINC001603601790 973859008 /nfs/dbraw/zinc/85/90/08/973859008.db2.gz NDWMYDOCBODTFV-MRXNPFEDSA-N -1 0 343.345 3.731 20 0 EHADRM CCC1(CNC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)CCCCC1 ZINC001603611750 973891666 /nfs/dbraw/zinc/89/16/66/973891666.db2.gz OFHOQWTZSRLZPE-LJQANCHMSA-N -1 0 346.471 3.689 20 0 EHADRM CCC1(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)CCCCC1 ZINC001603616828 973894809 /nfs/dbraw/zinc/89/48/09/973894809.db2.gz ARBZFCNWWPSWLV-CVEARBPZSA-N -1 0 330.428 3.712 20 0 EHADRM COc1cc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc(OC)c1C(C)C ZINC001604721736 973926545 /nfs/dbraw/zinc/92/65/45/973926545.db2.gz JFXUHSTWMONRSV-OAHLLOKOSA-N -1 0 337.416 3.513 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc3ccccc3cc2F)ccc1O ZINC001606466436 973942407 /nfs/dbraw/zinc/94/24/07/973942407.db2.gz SSMOPLSRWUDJJY-UHFFFAOYSA-N -1 0 325.295 3.635 20 0 EHADRM Cc1cc(C)cc([C@@H](NCc2cnc(C3CCC3)s2)C(=O)[O-])c1 ZINC000417557562 973960261 /nfs/dbraw/zinc/96/02/61/973960261.db2.gz BWRYUBOAYMCYPH-MRXNPFEDSA-N -1 0 330.453 3.943 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1ccc(-c2ccco2)cc1F ZINC000417799634 973969269 /nfs/dbraw/zinc/96/92/69/973969269.db2.gz SMFJSAMWLNJMMT-UHFFFAOYSA-N -1 0 334.347 3.852 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2ccn(Cc3ccccc3)c2)cc1 ZINC001606495251 973979624 /nfs/dbraw/zinc/97/96/24/973979624.db2.gz PQNWYVIKCVHZQC-UHFFFAOYSA-N -1 0 335.359 3.592 20 0 EHADRM CCCCCN(C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)C(C)C ZINC001603641125 973987885 /nfs/dbraw/zinc/98/78/85/973987885.db2.gz VCUCTVBQJAFWSL-LJQANCHMSA-N -1 0 334.460 3.639 20 0 EHADRM Cc1c(Cl)cc(F)c(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])c1F ZINC000424377299 974022719 /nfs/dbraw/zinc/02/27/19/974022719.db2.gz DFNWCEIIPHGJKZ-VIFPVBQESA-N -1 0 348.777 3.795 20 0 EHADRM C[C@H](NC(=O)NCCC(C)(C)C(=O)[O-])c1ccccc1C(F)(F)F ZINC000424416540 974031121 /nfs/dbraw/zinc/03/11/21/974031121.db2.gz VADHSHQQLPWCOL-JTQLQIEISA-N -1 0 346.349 3.567 20 0 EHADRM O=C([O-])c1ccoc1CSc1ccccc1C(=O)N[C@@H]1CC12CC2 ZINC000425258734 974042875 /nfs/dbraw/zinc/04/28/75/974042875.db2.gz RKKPJBDLRRSBJS-OAHLLOKOSA-N -1 0 343.404 3.552 20 0 EHADRM O=C([O-])[C@@H](NCc1cccc(OCC(F)(F)F)c1)c1cccs1 ZINC000426807315 974049259 /nfs/dbraw/zinc/04/92/59/974049259.db2.gz MWFDSHVFZYXOTF-ZDUSSCGKSA-N -1 0 345.342 3.605 20 0 EHADRM CC[C@@H](C(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1)c1ccc(F)cc1 ZINC000431535398 974068158 /nfs/dbraw/zinc/06/81/58/974068158.db2.gz ZRPYVYALXPAGFL-QZTJIDSGSA-N -1 0 343.398 3.612 20 0 EHADRM CO[C@H](C)c1nc(C)c(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)s1 ZINC000431972283 974078486 /nfs/dbraw/zinc/07/84/86/974078486.db2.gz JIYNSBCPTHLPTG-LLVKDONJSA-N -1 0 348.424 3.726 20 0 EHADRM C[C@]1(NC(=O)c2ccc3ccc(Cl)cc3n2)CCCC[C@H]1C(=O)[O-] ZINC000432105048 974086682 /nfs/dbraw/zinc/08/66/82/974086682.db2.gz CMOILRFAFDDPNY-UGSOOPFHSA-N -1 0 346.814 3.652 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NCC2(Cc3ccccc3)CCCC2)C1 ZINC000432105088 974086938 /nfs/dbraw/zinc/08/69/38/974086938.db2.gz CPIVTHZBGNQNLA-ZWKOTPCHSA-N -1 0 343.467 3.797 20 0 EHADRM CCCc1cnc(NC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC001603692904 974089522 /nfs/dbraw/zinc/08/95/22/974089522.db2.gz RVNCBKRPIYFIFV-ZIAGYGMSSA-N -1 0 345.424 3.530 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2/C=C\c2ccccc2)c(F)c1 ZINC000432129170 974091266 /nfs/dbraw/zinc/09/12/66/974091266.db2.gz JOBMCQGCLNKWNS-SIJIIQCFSA-N -1 0 339.366 3.842 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2/C=C/c2ccccc2)c(F)c1 ZINC000432129169 974091494 /nfs/dbraw/zinc/09/14/94/974091494.db2.gz JOBMCQGCLNKWNS-DZZUKKPASA-N -1 0 339.366 3.842 20 0 EHADRM Cc1cc2cc(C(=O)N[C@]3(C)CCCC[C@@H]3C(=O)[O-])oc2cc1C ZINC000432139402 974092178 /nfs/dbraw/zinc/09/21/78/974092178.db2.gz KXWQWBWXPBINIJ-AUUYWEPGSA-N -1 0 329.396 3.813 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000435718921 974097295 /nfs/dbraw/zinc/09/72/95/974097295.db2.gz HELAKZOHLXFSJA-GXFFZTMASA-N -1 0 344.238 3.857 20 0 EHADRM CC(C)Cc1ccc(CC(=O)N2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000439706745 974108705 /nfs/dbraw/zinc/10/87/05/974108705.db2.gz WVKHJXKXHWTVMX-SFHVURJKSA-N -1 0 337.419 3.643 20 0 EHADRM O=C([O-])c1ccc(COC(=O)CCc2cncc3ccccc32)cc1 ZINC001605689712 974109245 /nfs/dbraw/zinc/10/92/45/974109245.db2.gz YEXHFJCFPBMOHH-UHFFFAOYSA-N -1 0 335.359 3.609 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC000439808888 974109707 /nfs/dbraw/zinc/10/97/07/974109707.db2.gz JGOSFPNQOCGPTF-DIFFPNOSSA-N -1 0 345.345 3.886 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC000439808890 974109729 /nfs/dbraw/zinc/10/97/29/974109729.db2.gz JGOSFPNQOCGPTF-PIGZYNQJSA-N -1 0 345.345 3.886 20 0 EHADRM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000439792083 974109900 /nfs/dbraw/zinc/10/99/00/974109900.db2.gz MDWIRHVSVOUELS-CXAGYDPISA-N -1 0 327.380 3.900 20 0 EHADRM COc1ccccc1C1(C(=O)NCCCCCC(=O)[O-])CCCCC1 ZINC001604883753 974136129 /nfs/dbraw/zinc/13/61/29/974136129.db2.gz MRYSPAKHLFPING-UHFFFAOYSA-N -1 0 347.455 3.658 20 0 EHADRM Cc1ccc(C)c(C(=O)N[C@](C)(CC(=O)[O-])c2cccc(F)c2)c1 ZINC000449006710 974144151 /nfs/dbraw/zinc/14/41/51/974144151.db2.gz ZJEOIXHKPNLPCU-LJQANCHMSA-N -1 0 329.371 3.562 20 0 EHADRM CC1(C)CN(C(=O)c2ccc(C(=O)[O-])cc2F)CC[C@@H]1C(F)(F)F ZINC000450545264 974148213 /nfs/dbraw/zinc/14/82/13/974148213.db2.gz WHDRSTFVGFQIOM-LBPRGKRZSA-N -1 0 347.308 3.575 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N[C@@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000455894505 974164462 /nfs/dbraw/zinc/16/44/62/974164462.db2.gz BOQWWPHNNOJJFN-SUMWQHHRSA-N -1 0 345.826 3.710 20 0 EHADRM C[C@@H](NC(=O)c1cccc(C(F)F)c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000455894611 974164792 /nfs/dbraw/zinc/16/47/92/974164792.db2.gz CBEZDXBPDSXASB-WBMJQRKESA-N -1 0 347.361 3.686 20 0 EHADRM CC(C)(C)CCC(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000455939293 974174601 /nfs/dbraw/zinc/17/46/01/974174601.db2.gz WLJBQEDQFKDYBD-ZDUSSCGKSA-N -1 0 331.334 3.931 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)COc1ccccc1Cl ZINC000471991152 974199281 /nfs/dbraw/zinc/19/92/81/974199281.db2.gz HAHGMIBFZDRKQK-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000486021975 974243843 /nfs/dbraw/zinc/24/38/43/974243843.db2.gz WYKFEKYJDQYTMR-RDTXWAMCSA-N -1 0 329.440 3.804 20 0 EHADRM Cc1oc(CN(C)C(=O)/C=C/c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000492119015 974257468 /nfs/dbraw/zinc/25/74/68/974257468.db2.gz OBHXASSXNLVDRG-VMPITWQZSA-N -1 0 333.771 3.611 20 0 EHADRM Cc1oc(CN(C)C(=O)/C=C\c2ccc(Cl)s2)cc1C(=O)[O-] ZINC000492184412 974257848 /nfs/dbraw/zinc/25/78/48/974257848.db2.gz URLFHBBVZHJPDM-XQRVVYSFSA-N -1 0 339.800 3.673 20 0 EHADRM Cc1ccc(-c2nc(C(=O)Nc3cc(C(=O)[O-])ccc3C)cs2)o1 ZINC000512337229 974287157 /nfs/dbraw/zinc/28/71/57/974287157.db2.gz QXFYWNZJORPCPY-UHFFFAOYSA-N -1 0 342.376 3.970 20 0 EHADRM O=C([O-])[C@H](c1ccccc1)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000519613574 974331990 /nfs/dbraw/zinc/33/19/90/974331990.db2.gz YNRGFSOQMTWIFH-SJORKVTESA-N -1 0 331.799 3.539 20 0 EHADRM Cc1ccc(NC(=O)CCCOc2cccc(F)c2)c(C(=O)[O-])c1 ZINC000541588301 974411748 /nfs/dbraw/zinc/41/17/48/974411748.db2.gz DLVJNVUMKQMOMF-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM Cc1ccc(NC(=O)c2ccc3nc(C)c(C)nc3c2)c(C(=O)[O-])c1 ZINC000541589057 974411937 /nfs/dbraw/zinc/41/19/37/974411937.db2.gz UCJNJLFRHSTEOU-UHFFFAOYSA-N -1 0 335.363 3.506 20 0 EHADRM CCn1ccc(C(=O)N2C[C@@H](CCC(=O)[O-])Cc3ccccc32)c1C ZINC001604018152 974529285 /nfs/dbraw/zinc/52/92/85/974529285.db2.gz SLXUMSNHSPEYRL-HNNXBMFYSA-N -1 0 340.423 3.500 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCCC[C@H]1CCCc1ccccc1 ZINC000564226417 974546071 /nfs/dbraw/zinc/54/60/71/974546071.db2.gz XDYPXCUFKMEKCS-AEFFLSMTSA-N -1 0 331.456 3.891 20 0 EHADRM CC(C)c1nnc(CN2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])s1 ZINC000564584944 974550596 /nfs/dbraw/zinc/55/05/96/974550596.db2.gz IWEXHWJMOCBBNF-KBPBESRZSA-N -1 0 337.489 3.517 20 0 EHADRM C[C@@H](NC(=O)CCc1ccccc1C(=O)[O-])[C@@H]1CC2CCC1CC2 ZINC000565088164 974567125 /nfs/dbraw/zinc/56/71/25/974567125.db2.gz GGUGDTRWWZWNGE-YMEAELAKSA-N -1 0 329.440 3.648 20 0 EHADRM O=C([O-])c1ccc(CN2CCO[C@H](c3ccsc3)C2)cc1Cl ZINC000565103455 974568771 /nfs/dbraw/zinc/56/87/71/974568771.db2.gz FFORBMYYXUIVRI-HNNXBMFYSA-N -1 0 337.828 3.673 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)c1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000566288748 974602159 /nfs/dbraw/zinc/60/21/59/974602159.db2.gz MKEMSRPQKZRHJF-RISCZKNCSA-N -1 0 345.361 3.801 20 0 EHADRM Cc1cc([C@@H]2CN([C@@H](C)c3ccc(C(=O)[O-])o3)CCO2)ccc1F ZINC000566361575 974609563 /nfs/dbraw/zinc/60/95/63/974609563.db2.gz KRIIAJNHKXCNEI-SJCJKPOMSA-N -1 0 333.359 3.560 20 0 EHADRM Cc1ccccc1C1CC(N(C(=O)C[C@H](C)CC(=O)[O-])C2CC2)C1 ZINC000566481809 974612500 /nfs/dbraw/zinc/61/25/00/974612500.db2.gz CASAARRAFAFUJA-KTAKPFMOSA-N -1 0 329.440 3.733 20 0 EHADRM Cc1ccccc1C1(C(=O)Nc2cccc(OCC(=O)[O-])c2)CCC1 ZINC000566505737 974614132 /nfs/dbraw/zinc/61/41/32/974614132.db2.gz JWHWMUIIYMEIPR-UHFFFAOYSA-N -1 0 339.391 3.519 20 0 EHADRM Cc1nnc(-c2cccc(NCc3cccc(O)c3Cl)c2)n1C ZINC000339314578 1014207793 /nfs/dbraw/zinc/20/77/93/1014207793.db2.gz IMJJVIPWRYQWFG-UHFFFAOYSA-N -1 0 328.803 3.762 20 0 EHADRM O=C([O-])c1ccc(CN2CCO[C@@H](c3cccc(F)c3)C2)cc1Cl ZINC000568059487 974655834 /nfs/dbraw/zinc/65/58/34/974655834.db2.gz BHJYNWKBBFLBCE-QGZVFWFLSA-N -1 0 349.789 3.751 20 0 EHADRM O=C([O-])[C@H](c1ccsc1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000568416195 974671373 /nfs/dbraw/zinc/67/13/73/974671373.db2.gz PPFYKFQCKNTUHY-CABCVRRESA-N -1 0 337.828 3.601 20 0 EHADRM COC(=O)CCC[C@@H]1CCC[C@@H](Nc2cccc(CC(=O)[O-])c2)C1 ZINC000569319013 974687651 /nfs/dbraw/zinc/68/76/51/974687651.db2.gz RZRPBRFTNSPXCB-GOEBONIOSA-N -1 0 333.428 3.628 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1ccc(F)cc1F ZINC000570505733 974712846 /nfs/dbraw/zinc/71/28/46/974712846.db2.gz OOOLHIWXPGIZNB-OAHLLOKOSA-N -1 0 348.349 3.575 20 0 EHADRM O=C([O-])CC1(CC(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)CCCC1 ZINC000573505680 974767083 /nfs/dbraw/zinc/76/70/83/974767083.db2.gz DBKULEZRUOPUHB-DZGCQCFKSA-N -1 0 335.831 3.737 20 0 EHADRM CO[C@H](C[N@H+](C)Cc1cc(C(=O)[O-])c(C)o1)c1ccc(Cl)cc1 ZINC000574047040 974775917 /nfs/dbraw/zinc/77/59/17/974775917.db2.gz QJXBUTLUQZNFQA-MRXNPFEDSA-N -1 0 337.803 3.759 20 0 EHADRM Cc1oc(-c2ccccc2)c(C(=O)NC[C@H](CC2CC2)C(=O)[O-])c1C ZINC000574762004 974788682 /nfs/dbraw/zinc/78/86/82/974788682.db2.gz SOZCUBAJTLBZNC-INIZCTEOSA-N -1 0 341.407 3.794 20 0 EHADRM COCc1ccc([C@@H]2CCC[N@@H+]2[C@H](C(=O)[O-])c2ccccc2C)o1 ZINC000576046264 974806907 /nfs/dbraw/zinc/80/69/07/974806907.db2.gz GGEXVHJSEHLVKL-WMZOPIPTSA-N -1 0 329.396 3.697 20 0 EHADRM O=C([O-])c1cccc(CN2CCO[C@H](c3cccc(F)c3)C2)c1Cl ZINC000577286960 974833197 /nfs/dbraw/zinc/83/31/97/974833197.db2.gz XSQMZNGDPMORJO-INIZCTEOSA-N -1 0 349.789 3.751 20 0 EHADRM Cc1cccc(CCC(=O)N[C@@](C)(CC(=O)[O-])c2cccc(F)c2)c1 ZINC000577466549 974836089 /nfs/dbraw/zinc/83/60/89/974836089.db2.gz MKQNBMDAKVBRLX-FQEVSTJZSA-N -1 0 343.398 3.573 20 0 EHADRM CCN(Cc1cccc(-c2ccncc2)c1)C(=O)C[C@@H](C)CC(=O)[O-] ZINC000579614194 974879248 /nfs/dbraw/zinc/87/92/48/974879248.db2.gz VBLPATCZQAPEPL-OAHLLOKOSA-N -1 0 340.423 3.598 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@@H]2CCc3cc(F)ccc32)cc1 ZINC000582676436 974929611 /nfs/dbraw/zinc/92/96/11/974929611.db2.gz DYXZMCSTYCRPGY-QGZVFWFLSA-N -1 0 327.355 3.511 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1cccc(OCc2ccc(F)cc2)c1 ZINC000583574639 974943035 /nfs/dbraw/zinc/94/30/35/974943035.db2.gz FKVVGDHCJBTEBD-ZDUSSCGKSA-N -1 0 345.370 3.844 20 0 EHADRM Cc1cc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)oc1C(=O)[O-] ZINC000584125290 974950241 /nfs/dbraw/zinc/95/02/41/974950241.db2.gz XPKHOODJDHWZJQ-HNNXBMFYSA-N -1 0 335.787 3.513 20 0 EHADRM O=C([O-])c1cnoc1CN1CCc2sccc2[C@H]1c1cccs1 ZINC000584416179 974955128 /nfs/dbraw/zinc/95/51/28/974955128.db2.gz QBGVPABVMCIZOE-HNNXBMFYSA-N -1 0 346.433 3.644 20 0 EHADRM Cc1cncc(/C=C\C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)c1 ZINC000588592423 974965296 /nfs/dbraw/zinc/96/52/96/974965296.db2.gz KCOQGJWQEKUQLS-DJWKRKHSSA-N -1 0 338.388 3.955 20 0 EHADRM CCCCS[C@@H](C)C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC000600869917 975007827 /nfs/dbraw/zinc/00/78/27/975007827.db2.gz NHLABHGCPISCPY-MNOVXSKESA-N -1 0 343.420 3.538 20 0 EHADRM CSCCc1ccccc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000600872641 975009377 /nfs/dbraw/zinc/00/93/77/975009377.db2.gz IYQARCHQZRAXJU-UHFFFAOYSA-N -1 0 343.448 3.862 20 0 EHADRM C[C@@H](S[C@H](C)C(=O)Nc1ccccc1-c1ccccc1)C(=O)[O-] ZINC000618022556 975024482 /nfs/dbraw/zinc/02/44/82/975024482.db2.gz QQUHJPXDNFNZDS-CHWSQXEVSA-N -1 0 329.421 3.887 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(OC3CCCC3)cc2)cc1 ZINC000621539846 975029521 /nfs/dbraw/zinc/02/95/21/975029521.db2.gz PEBFSQHOVFGPKL-UHFFFAOYSA-N -1 0 325.364 3.959 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)N[C@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC000621610646 975059147 /nfs/dbraw/zinc/05/91/47/975059147.db2.gz NAUQQYOVVOJIMR-NWDGAFQWSA-N -1 0 346.452 3.775 20 0 EHADRM CC[C@@H](CC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccc(C)cc1 ZINC000621610733 975059878 /nfs/dbraw/zinc/05/98/78/975059878.db2.gz OMONGYRFALNSRE-STQMWFEESA-N -1 0 346.452 3.911 20 0 EHADRM C[C@H](NC(=O)CC1CC(c2ccccc2)C1)c1ncc(C(=O)[O-])s1 ZINC000621611953 975061505 /nfs/dbraw/zinc/06/15/05/975061505.db2.gz OKFKSVWVETYTHW-DCBWTQNWSA-N -1 0 344.436 3.602 20 0 EHADRM O=C([O-])CN(Cc1coc(-c2cc(Cl)cc(Cl)c2)n1)C1CC1 ZINC000629359481 975081915 /nfs/dbraw/zinc/08/19/15/975081915.db2.gz WGFDFHDVTSGWHZ-UHFFFAOYSA-N -1 0 341.194 3.697 20 0 EHADRM Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000630098514 975100024 /nfs/dbraw/zinc/10/00/24/975100024.db2.gz UCQSEPJLEZIEDS-RCCFBDPRSA-N -1 0 341.382 3.570 20 0 EHADRM Cc1cc(C)c(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])s1 ZINC000630122986 975110905 /nfs/dbraw/zinc/11/09/05/975110905.db2.gz NPWKDUVIKWEXEM-ZDUSSCGKSA-N -1 0 331.437 3.728 20 0 EHADRM COCc1sccc1C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000630126899 975113024 /nfs/dbraw/zinc/11/30/24/975113024.db2.gz LNRBBTWCBHNZGY-UHFFFAOYSA-N -1 0 349.408 3.632 20 0 EHADRM Cc1cc(C(F)F)oc1C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000630130232 975115658 /nfs/dbraw/zinc/11/56/58/975115658.db2.gz JJEQWWDEZZZTJV-MFKMUULPSA-N -1 0 337.322 3.717 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)[C@H]1Cc2ccc(Cl)cc21)c1ccccc1 ZINC000630131108 975116447 /nfs/dbraw/zinc/11/64/47/975116447.db2.gz MCAVKBGTNHMOGW-GOPGUHFVSA-N -1 0 343.810 3.558 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)cc1C(=O)[O-] ZINC000630131429 975116522 /nfs/dbraw/zinc/11/65/22/975116522.db2.gz HOSOVFNOGOFTMT-HOTGVXAUSA-N -1 0 345.370 3.578 20 0 EHADRM Cc1oc(-c2ccccc2)cc1C(=O)N(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000630156271 975133639 /nfs/dbraw/zinc/13/36/39/975133639.db2.gz GZXSHFCKICSTQO-GFCCVEGCSA-N -1 0 327.380 3.580 20 0 EHADRM CCCC[C@H](CC)C(=O)N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000630242941 975188430 /nfs/dbraw/zinc/18/84/30/975188430.db2.gz PLFABBOJYQOVNJ-LBPRGKRZSA-N -1 0 338.473 3.764 20 0 EHADRM CC(C)CC1(C(=O)Nc2ccc(O[C@H](C)C(=O)[O-])c(F)c2)CCC1 ZINC000630259113 975202881 /nfs/dbraw/zinc/20/28/81/975202881.db2.gz WLHHHJIVLNBIMG-GFCCVEGCSA-N -1 0 337.391 3.833 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)NCC[C@@H]1CC=CCC1)C(=O)[O-] ZINC000630262112 975206087 /nfs/dbraw/zinc/20/60/87/975206087.db2.gz JPLCOPFSXDSTQX-ZIAGYGMSSA-N -1 0 333.453 3.728 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)C1CCCCC1 ZINC000630267693 975210923 /nfs/dbraw/zinc/21/09/23/975210923.db2.gz QZNIWTAKSRWNAQ-HZSPNIEDSA-N -1 0 349.393 3.752 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3ccccc3s2)[C@@H]2CCC[C@H]21 ZINC000630275164 975219821 /nfs/dbraw/zinc/21/98/21/975219821.db2.gz RZOWUGATGBNRIQ-BFHYXJOUSA-N -1 0 329.421 3.617 20 0 EHADRM Cc1[nH]c2ccc(C(=O)N3CC[C@H](C(=O)[O-])[C@H]4CCC[C@H]43)cc2c1C ZINC000630285310 975229661 /nfs/dbraw/zinc/22/96/61/975229661.db2.gz ZOPYAHKMAHLGNL-RVKKMQEKSA-N -1 0 340.423 3.500 20 0 EHADRM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC000630294171 975234247 /nfs/dbraw/zinc/23/42/47/975234247.db2.gz GEDXZINEZNLSQY-DZGCQCFKSA-N -1 0 341.382 3.617 20 0 EHADRM O=C([O-])c1cncc(C(=O)Nc2ccc(OC3CCCCC3)cc2)c1 ZINC000630293189 975234351 /nfs/dbraw/zinc/23/43/51/975234351.db2.gz MEPURMXRPUKOPA-UHFFFAOYSA-N -1 0 340.379 3.744 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000630294219 975235010 /nfs/dbraw/zinc/23/50/10/975235010.db2.gz HAIUVQJSHRNFBZ-RTKZEXODSA-N -1 0 329.440 3.671 20 0 EHADRM CCN(Cc1occc1C)C(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000630298294 975237636 /nfs/dbraw/zinc/23/76/36/975237636.db2.gz DIAJXFDGZPJFBJ-ZDUSSCGKSA-N -1 0 347.436 3.816 20 0 EHADRM C[C@@H](C(=O)N1C2CCC1(C(=O)[O-])CC2)c1c(Cl)cccc1Cl ZINC000630325189 975252711 /nfs/dbraw/zinc/25/27/11/975252711.db2.gz SEYNCOWIBVAODW-PWGATLRDSA-N -1 0 342.222 3.705 20 0 EHADRM Cc1cc(CNC(=O)CCCc2ccc(Cl)cc2)oc1C(=O)[O-] ZINC000630328278 975255716 /nfs/dbraw/zinc/25/57/16/975255716.db2.gz CMAJEFAWKQOZII-UHFFFAOYSA-N -1 0 335.787 3.579 20 0 EHADRM CSc1ccsc1C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000630328684 975256234 /nfs/dbraw/zinc/25/62/34/975256234.db2.gz SIXJVYARXJHNMV-NWDGAFQWSA-N -1 0 333.434 3.910 20 0 EHADRM CCCc1ncc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)s1 ZINC000630328996 975257011 /nfs/dbraw/zinc/25/70/11/975257011.db2.gz XJFXWSKKDRIHPH-QWHCGFSZSA-N -1 0 330.409 3.536 20 0 EHADRM CC[C@H](C)OCC(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000162381167 1029591685 /nfs/dbraw/zinc/59/16/85/1029591685.db2.gz BEJVDSINFZAIHQ-ZETCQYMHSA-N -1 0 336.613 3.562 20 0 EHADRM CCCN(CC(=O)[O-])Cc1coc(-c2ccccc2C(F)(F)F)n1 ZINC000634691575 975271085 /nfs/dbraw/zinc/27/10/85/975271085.db2.gz JVUKJXMPIKBLRO-UHFFFAOYSA-N -1 0 342.317 3.657 20 0 EHADRM Cc1cccc2c(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)coc21 ZINC000643846433 975311832 /nfs/dbraw/zinc/31/18/32/975311832.db2.gz HYDJDVSJGMUODP-RCBQFDQVSA-N -1 0 327.380 3.599 20 0 EHADRM Cc1cc(C(F)(F)F)ccc1CNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000647164998 975358072 /nfs/dbraw/zinc/35/80/72/975358072.db2.gz UZYDTILNCPMMAX-VXGBXAGGSA-N -1 0 343.345 3.521 20 0 EHADRM O=C([O-])c1cnc(N[C@H](c2ccccc2)[C@H]2CCCO2)c(Cl)c1 ZINC000647446138 975359375 /nfs/dbraw/zinc/35/93/75/975359375.db2.gz BXCBKTSGQOONRY-HUUCEWRRSA-N -1 0 332.787 3.765 20 0 EHADRM C[C@@H](CC(=O)N[C@H]1CCC[C@H]1C(=O)[O-])c1ccccc1C(F)(F)F ZINC000648353839 975383615 /nfs/dbraw/zinc/38/36/15/975383615.db2.gz GMGGUOXVMOBWGO-SUHUHFCYSA-N -1 0 343.345 3.569 20 0 EHADRM CC(C)Nc1ccccc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC001591672452 975434788 /nfs/dbraw/zinc/43/47/88/975434788.db2.gz SXJMRSDZKSKPNT-UHFFFAOYSA-N -1 0 326.396 3.776 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@@H](C)c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000652058413 975461935 /nfs/dbraw/zinc/46/19/35/975461935.db2.gz WQTVTDCLZZMIPM-JTQLQIEISA-N -1 0 335.787 3.702 20 0 EHADRM O=C([O-])[C@@H](c1ccsc1)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000652434641 975530467 /nfs/dbraw/zinc/53/04/67/975530467.db2.gz AHEMWQGLICAWAO-SWLSCSKDSA-N -1 0 337.828 3.681 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)c1 ZINC000653637113 975599050 /nfs/dbraw/zinc/59/90/50/975599050.db2.gz JJBPAXYENHSRAF-UHFFFAOYSA-N -1 0 343.810 3.772 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1cccc(CC(=O)[O-])c1 ZINC000653637825 975600982 /nfs/dbraw/zinc/60/09/82/975600982.db2.gz ABHWRMXBYRYGSL-MRXNPFEDSA-N -1 0 341.407 3.659 20 0 EHADRM Cc1c(NC(=O)c2cccc(CC(=O)[O-])c2)sc2c1CCCC2 ZINC000653641406 975607504 /nfs/dbraw/zinc/60/75/04/975607504.db2.gz DAGIWYNXMYLSTN-UHFFFAOYSA-N -1 0 329.421 3.815 20 0 EHADRM COc1cc(NC(=O)C2(c3ccc(F)cc3)CCC2)ccc1C(=O)[O-] ZINC000653645134 975615615 /nfs/dbraw/zinc/61/56/15/975615615.db2.gz XSOKBRHHFYKQNP-UHFFFAOYSA-N -1 0 343.354 3.593 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1ccc(C(F)F)nc1 ZINC000656237831 975652186 /nfs/dbraw/zinc/65/21/86/975652186.db2.gz FZOSEMGUUYSNIS-UHFFFAOYSA-N -1 0 348.349 3.526 20 0 EHADRM O=C([O-])c1ccc2c(c1)[C@H](CNc1ncc(C(F)F)cn1)CCC2 ZINC000656783738 975707097 /nfs/dbraw/zinc/70/70/97/975707097.db2.gz VGOUMRWOKHZCOW-LBPRGKRZSA-N -1 0 333.338 3.644 20 0 EHADRM CC(C)OCc1ccc(C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])cc1 ZINC001591731407 975709652 /nfs/dbraw/zinc/70/96/52/975709652.db2.gz XRSGDGQYXTZQPI-GOSISDBHSA-N -1 0 347.455 3.623 20 0 EHADRM CC(C)OCc1ccccc1CN[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001591735909 975730125 /nfs/dbraw/zinc/73/01/25/975730125.db2.gz ZWZUDXBJYHGKAJ-GFCCVEGCSA-N -1 0 334.441 3.617 20 0 EHADRM CCC[C@@H](C(=O)NCc1ccc(C(=O)[O-])o1)c1ccc(Cl)cc1 ZINC000659134242 975733312 /nfs/dbraw/zinc/73/33/12/975733312.db2.gz OBVOBESUMYPJRR-CQSZACIVSA-N -1 0 335.787 3.831 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[C@H]1CCc1ccccc1 ZINC000659140920 975740494 /nfs/dbraw/zinc/74/04/94/975740494.db2.gz WPVKTDGGUORORD-HNNXBMFYSA-N -1 0 327.380 3.524 20 0 EHADRM CCC1(C(=O)NCC2(C(=O)[O-])CCCCC2)CCC(F)(F)CC1 ZINC000659147608 975747939 /nfs/dbraw/zinc/74/79/39/975747939.db2.gz UFWXUBPWEVGVTN-UHFFFAOYSA-N -1 0 331.403 3.743 20 0 EHADRM CC[C@](CNC(=O)[C@]1(C)CC=C(C)CC1)(C(=O)[O-])c1ccccc1 ZINC000659160208 975759541 /nfs/dbraw/zinc/75/95/41/975759541.db2.gz GXSCCEGUJGDZER-WOJBJXKFSA-N -1 0 329.440 3.672 20 0 EHADRM CC[C@@H](CNC(=O)C1(c2c(Cl)cccc2Cl)CCC1)C(=O)[O-] ZINC000659162970 975761431 /nfs/dbraw/zinc/76/14/31/975761431.db2.gz FMXQFVVWUVECRX-JTQLQIEISA-N -1 0 344.238 3.642 20 0 EHADRM O=C([O-])c1cccc2c1CN(C(=O)[C@H]1CC[C@H](C3CCC3)CC1)CC2 ZINC000659165136 975764592 /nfs/dbraw/zinc/76/45/92/975764592.db2.gz ZZUWIYJUIZADGJ-JCNLHEQBSA-N -1 0 341.451 3.876 20 0 EHADRM C[C@@H](C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21)c1ccccc1 ZINC000659181550 975776994 /nfs/dbraw/zinc/77/69/94/975776994.db2.gz INSAWGSGPBTLEZ-RDTXWAMCSA-N -1 0 337.419 3.725 20 0 EHADRM CC(C)Oc1c(NC(=O)c2cc3ccsc3[nH]2)cccc1C(=O)[O-] ZINC001591746620 975785712 /nfs/dbraw/zinc/78/57/12/975785712.db2.gz OHOGZAQVCQGGOX-UHFFFAOYSA-N -1 0 344.392 3.967 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3o2)[C@H]2CCCC[C@H]12 ZINC000659194416 975794539 /nfs/dbraw/zinc/79/45/39/975794539.db2.gz LHEYRUIBKGOMFY-KFWWJZLASA-N -1 0 345.370 3.677 20 0 EHADRM Cc1oc(-c2ccccc2)c(C(=O)NC[C@H](CC(=O)[O-])C2CC2)c1C ZINC000659210491 975821993 /nfs/dbraw/zinc/82/19/93/975821993.db2.gz VLKUZKLWCNPTHV-INIZCTEOSA-N -1 0 341.407 3.794 20 0 EHADRM Cc1cc2occ(CC(=O)N[C@](C)(CCF)C(=O)[O-])c2cc1C(C)C ZINC000659211379 975823475 /nfs/dbraw/zinc/82/34/75/975823475.db2.gz CPSMEJPWTSYWRM-LJQANCHMSA-N -1 0 349.402 3.726 20 0 EHADRM CCCCOc1cccc(NC(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000659753029 975859752 /nfs/dbraw/zinc/85/97/52/975859752.db2.gz KBGUAICLPQVPDR-UHFFFAOYSA-N -1 0 343.379 3.581 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N(C)C[C@@H]1CC=CCC1 ZINC001591763395 975868209 /nfs/dbraw/zinc/86/82/09/975868209.db2.gz SHDXLRPUSQCBMX-CQSZACIVSA-N -1 0 346.427 3.992 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N[C@@]1(C)CC=CCC1 ZINC001591766939 975871852 /nfs/dbraw/zinc/87/18/52/975871852.db2.gz BBSPLNNOFKEWDE-SFHVURJKSA-N -1 0 332.400 3.792 20 0 EHADRM O=C([O-])c1ccc(CN2CC[C@@H](Oc3ccccc3Cl)C2)cc1F ZINC000659787484 975873001 /nfs/dbraw/zinc/87/30/01/975873001.db2.gz MCJGTTRBLVKUBX-CYBMUJFWSA-N -1 0 349.789 3.831 20 0 EHADRM CSc1cc(C)c(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)o1 ZINC000663054850 975921956 /nfs/dbraw/zinc/92/19/56/975921956.db2.gz RHESBIKMSYUAIF-LBPRGKRZSA-N -1 0 331.393 3.529 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)NCC3(C(=O)[O-])CC3)cc2)cc1 ZINC000663340770 975945464 /nfs/dbraw/zinc/94/54/64/975945464.db2.gz GSUDXAFUWBMBLM-UHFFFAOYSA-N -1 0 340.379 3.774 20 0 EHADRM CO[C@@H]1CCC[C@H](CC(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)C1 ZINC000668269599 975978140 /nfs/dbraw/zinc/97/81/40/975978140.db2.gz NWWBBXIKYGNUNB-DZGCQCFKSA-N -1 0 349.427 3.706 20 0 EHADRM CSc1cc(C)c(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)o1 ZINC000668277633 975981928 /nfs/dbraw/zinc/98/19/28/975981928.db2.gz MBGQNMOPUMTNQQ-UHFFFAOYSA-N -1 0 333.409 3.924 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000669434276 976000855 /nfs/dbraw/zinc/00/08/55/976000855.db2.gz CHEHIABRXGGHLP-XJKSGUPXSA-N -1 0 341.382 3.609 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000674939510 976011204 /nfs/dbraw/zinc/01/12/04/976011204.db2.gz LOOHFJIQZMYMQR-UHFFFAOYSA-N -1 0 343.379 3.977 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000679102432 976043067 /nfs/dbraw/zinc/04/30/67/976043067.db2.gz XYOXHKVGQMNAQH-GDBMZVCRSA-N -1 0 349.446 3.744 20 0 EHADRM CC(C)(C)c1ncc(CN[C@@H](C(=O)[O-])c2cc(F)ccc2F)s1 ZINC000683175305 976080470 /nfs/dbraw/zinc/08/04/70/976080470.db2.gz UHDIWEVFUQQJAR-CYBMUJFWSA-N -1 0 340.395 3.634 20 0 EHADRM CC(C)Sc1ccc([C@@H](C)NC(=O)c2ccc(C(=O)[O-])[nH]2)cc1 ZINC001591829036 976089108 /nfs/dbraw/zinc/08/91/08/976089108.db2.gz AGLKBDRFMFAICI-LLVKDONJSA-N -1 0 332.425 3.704 20 0 EHADRM CC(C)SCCNC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001591828828 976089145 /nfs/dbraw/zinc/08/91/45/976089145.db2.gz YLVQBOOOGCEXDG-UHFFFAOYSA-N -1 0 343.448 3.923 20 0 EHADRM CC(C)Oc1ccccc1[C@H](C)NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000684772265 976092389 /nfs/dbraw/zinc/09/23/89/976092389.db2.gz ZQQKLHKNLZIMBC-KKUMJFAQSA-N -1 0 333.428 3.542 20 0 EHADRM CC(C)c1cc(Br)ccc1NC(=O)N[C@H](C)CC(=O)[O-] ZINC001591926063 976414062 /nfs/dbraw/zinc/41/40/62/976414062.db2.gz OXBGKRHDLRMHRQ-SECBINFHSA-N -1 0 343.221 3.557 20 0 EHADRM CC(C)c1c[nH]c(Sc2cc(C(F)(F)F)c(C(=O)[O-])cn2)n1 ZINC001591926060 976414271 /nfs/dbraw/zinc/41/42/71/976414271.db2.gz OWQHIDRKDKYXHF-UHFFFAOYSA-N -1 0 331.319 3.796 20 0 EHADRM CC(C)c1cc(C(=O)Nc2cccc(C(=O)[O-])c2)nn1-c1ccccc1 ZINC001591931252 976434721 /nfs/dbraw/zinc/43/47/21/976434721.db2.gz WANPTCNVIMHQOM-UHFFFAOYSA-N -1 0 349.390 3.946 20 0 EHADRM CC(C)c1cc(NC(=O)c2ccc(C(=O)[O-])cc2)n(-c2ccccc2)n1 ZINC001591936147 976458514 /nfs/dbraw/zinc/45/85/14/976458514.db2.gz QWKVBHUMOFNDKA-UHFFFAOYSA-N -1 0 349.390 3.946 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@H](C(=O)[O-])c2cccc3ccccc32)nc1 ZINC001591942679 976471454 /nfs/dbraw/zinc/47/14/54/976471454.db2.gz YGMJCAGGFZIBMI-IBGZPJMESA-N -1 0 348.402 3.914 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2cccc(CCC(=O)[O-])c2)c(O)c1 ZINC001591947174 976489600 /nfs/dbraw/zinc/48/96/00/976489600.db2.gz GPOYJXMHGWPAJQ-UHFFFAOYSA-N -1 0 327.380 3.785 20 0 EHADRM CC(C)c1ccc(C(C)(C)NC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)cc1 ZINC001591947739 976493738 /nfs/dbraw/zinc/49/37/38/976493738.db2.gz TYTDUYLFEGNRRB-PBHICJAKSA-N -1 0 346.471 3.988 20 0 EHADRM CC(C)c1ccc(CCCNC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC001591952963 976514976 /nfs/dbraw/zinc/51/49/76/976514976.db2.gz QVGTVKMYLYBRSI-BENRWUELSA-N -1 0 341.407 3.863 20 0 EHADRM CC(C)c1ccc(NC(=O)C[C@@H](O)c2cccc(F)c2)c(C(=O)[O-])c1 ZINC001591962222 976545762 /nfs/dbraw/zinc/54/57/62/976545762.db2.gz DYBNCXNRVYMBRV-QGZVFWFLSA-N -1 0 345.370 3.710 20 0 EHADRM CC(C)c1ccc2c(c1)CCN(C(=O)c1cccc(CC(=O)[O-])c1)C2 ZINC001591973677 976580082 /nfs/dbraw/zinc/58/00/82/976580082.db2.gz GIHUUFPSMWVBMU-UHFFFAOYSA-N -1 0 337.419 3.636 20 0 EHADRM CC(C)c1ccc(OCC(=O)NC[C@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001591973932 976582422 /nfs/dbraw/zinc/58/24/22/976582422.db2.gz KHUJTXPKHTWQOR-SFHVURJKSA-N -1 0 347.455 3.586 20 0 EHADRM CC(C)c1ccc(OCC(=O)NCCCCC2(C(=O)[O-])CCC2)cc1 ZINC001591974092 976584973 /nfs/dbraw/zinc/58/49/73/976584973.db2.gz MWCGSBRDLKYSJH-UHFFFAOYSA-N -1 0 347.455 3.730 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)CC2 ZINC001591974354 976587324 /nfs/dbraw/zinc/58/73/24/976587324.db2.gz UQVYVXILOQURPE-XCRHUMRWSA-N -1 0 344.455 3.550 20 0 EHADRM CC(C)c1ccc2cc(C(=O)NCc3cc(C(=O)[O-])co3)[nH]c2c1 ZINC001591980228 976592561 /nfs/dbraw/zinc/59/25/61/976592561.db2.gz DOLWUTATICCLJM-UHFFFAOYSA-N -1 0 326.352 3.513 20 0 EHADRM CC(C)c1ccc2ncnc(N(CCC(F)(F)F)CC(=O)[O-])c2c1 ZINC001591981691 976598450 /nfs/dbraw/zinc/59/84/50/976598450.db2.gz XKRVSTKHJHJHJN-UHFFFAOYSA-N -1 0 341.333 3.597 20 0 EHADRM CC(C)c1cccc(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)n1 ZINC001591983255 976602618 /nfs/dbraw/zinc/60/26/18/976602618.db2.gz MEXLIQPMDMLSCI-UHFFFAOYSA-N -1 0 336.750 3.948 20 0 EHADRM CC(C)c1cccc(CNC(=O)NCCc2ccc(C(=O)[O-])cc2)c1 ZINC001591987822 976613828 /nfs/dbraw/zinc/61/38/28/976613828.db2.gz RDJNBUJASZMILM-UHFFFAOYSA-N -1 0 340.423 3.550 20 0 EHADRM CC(C)c1cccc(NC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC001591992048 976622659 /nfs/dbraw/zinc/62/26/59/976622659.db2.gz PGINMQFEQGBZGL-FQEVSTJZSA-N -1 0 340.423 3.974 20 0 EHADRM CC(C)c1cccc(OCC(=O)OCc2ccc(C(=O)[O-])cc2)c1 ZINC001591994479 976632819 /nfs/dbraw/zinc/63/28/19/976632819.db2.gz MIFBRMJZASJXGF-UHFFFAOYSA-N -1 0 328.364 3.630 20 0 EHADRM CC(C)c1ccccc1-n1ccnc1SCC(=O)C(C)(C)C(=O)[O-] ZINC001591994614 976635946 /nfs/dbraw/zinc/63/59/46/976635946.db2.gz OBYYEWPKYZORGW-UHFFFAOYSA-N -1 0 346.452 3.768 20 0 EHADRM CC(C)c1sc(NC(=O)/C=C\c2ccccc2F)nc1C(=O)[O-] ZINC001592111626 976901286 /nfs/dbraw/zinc/90/12/86/976901286.db2.gz HLJWDWMFJOBXIM-FPLPWBNLSA-N -1 0 334.372 3.756 20 0 EHADRM CC(C)n1c(NC(=O)c2ccc(C(=O)[O-])s2)nc2ccccc21 ZINC001592121175 976928249 /nfs/dbraw/zinc/92/82/49/976928249.db2.gz LFCKPRGVGPODDS-UHFFFAOYSA-N -1 0 329.381 3.629 20 0 EHADRM C[C@H](C1CC1)n1cc(NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cn1 ZINC001592180739 977097085 /nfs/dbraw/zinc/09/70/85/977097085.db2.gz FHHOHEBTZWZEMG-SECBINFHSA-N -1 0 348.790 3.850 20 0 EHADRM C[C@H](/C=C/C(=O)[O-])NC(=O)c1c(F)cccc1Sc1ccccc1 ZINC001592201845 977209595 /nfs/dbraw/zinc/20/95/95/977209595.db2.gz QQJSNVLVGGSAFB-HCRIHEDKSA-N -1 0 345.395 3.736 20 0 EHADRM C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1N)Cc1ccc(Cl)cc1 ZINC001592273593 977544786 /nfs/dbraw/zinc/54/47/86/977544786.db2.gz DAHBUNRUGQEXGK-NSHDSACASA-N -1 0 346.814 3.828 20 0 EHADRM CC(C)c1ccc(N[C@H](C)CC(=O)Nc2cccc(C(=O)[O-])c2)cn1 ZINC001592274444 977548198 /nfs/dbraw/zinc/54/81/98/977548198.db2.gz OEHPURGXFAGPIX-CYBMUJFWSA-N -1 0 341.411 3.732 20 0 EHADRM C[C@@H](CC(=O)Nc1cccc(F)c1C(=O)[O-])c1ccc(F)cc1F ZINC001592274459 977548205 /nfs/dbraw/zinc/54/82/05/977548205.db2.gz OOWRJSSSLYEZLK-VIFPVBQESA-N -1 0 337.297 3.934 20 0 EHADRM C[C@@H](CC(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-])c1cnn(C)c1 ZINC001592278106 977559920 /nfs/dbraw/zinc/55/99/20/977559920.db2.gz NUTOIBARMVAZIO-JTQLQIEISA-N -1 0 349.456 3.610 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)NCC1(c2ccc(F)cc2Cl)CCCC1 ZINC001592351530 977827862 /nfs/dbraw/zinc/82/78/62/977827862.db2.gz NKOGNWYOYMXRBE-LLVKDONJSA-N -1 0 341.810 3.518 20 0 EHADRM C[C@@H](OC(=O)C[C@@H](C)CC(=O)[O-])C(=O)c1ccc(C(C)(C)C)cc1 ZINC001592395695 977955330 /nfs/dbraw/zinc/95/53/30/977955330.db2.gz MZGMKOMYUYKJCS-QWHCGFSZSA-N -1 0 334.412 3.599 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1nc(-c2cccc(Cl)c2)cs1 ZINC001592396038 977956882 /nfs/dbraw/zinc/95/68/82/977956882.db2.gz QXQNVKDWUUPSKN-VIFPVBQESA-N -1 0 338.816 3.903 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)OCc1ccc([C@@H](C)C(F)(F)F)cc1 ZINC001592400243 977963104 /nfs/dbraw/zinc/96/31/04/977963104.db2.gz BLRJOBZJRNVKET-GHMZBOCLSA-N -1 0 332.318 3.897 20 0 EHADRM C[C@@H](CC(=O)[O-])SCCOc1ccccc1C(=O)OC(C)(C)C ZINC001592422490 978036600 /nfs/dbraw/zinc/03/66/00/978036600.db2.gz RORTXGIWEFJFRR-LBPRGKRZSA-N -1 0 340.441 3.617 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001592454408 978164066 /nfs/dbraw/zinc/16/40/66/978164066.db2.gz WVBVEGZCTHZPEK-AWEZNQCLSA-N -1 0 325.408 3.871 20 0 EHADRM C[C@@H](CC(F)(F)F)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001592454734 978167390 /nfs/dbraw/zinc/16/73/90/978167390.db2.gz RDGWYKJHVZMNRU-JTQLQIEISA-N -1 0 349.374 3.922 20 0 EHADRM C[C@@H](CC1CCCCC1)C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-] ZINC001592466345 978212220 /nfs/dbraw/zinc/21/22/20/978212220.db2.gz WQPDRLXWZPFMPN-WMLDXEAASA-N -1 0 349.446 3.792 20 0 EHADRM C[C@H](CCC(C)(C)C)C(=O)N[C@@](C)(Cc1ccc(F)cc1)C(=O)[O-] ZINC001592478599 978253047 /nfs/dbraw/zinc/25/30/47/978253047.db2.gz UOYPASLZHIQXMK-YJYMSZOUSA-N -1 0 337.435 3.790 20 0 EHADRM CN(CC(C)(C)C)C(=O)Nc1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000320701400 1014482657 /nfs/dbraw/zinc/48/26/57/1014482657.db2.gz YHTKPIRMVVYDEJ-UHFFFAOYSA-N -1 0 332.322 3.913 20 0 EHADRM CCOc1ccccc1CCC(=O)Oc1ccc(C)cc1C(=O)[O-] ZINC000737210805 978388985 /nfs/dbraw/zinc/38/89/85/978388985.db2.gz KSOCHPIOQNWVJI-UHFFFAOYSA-N -1 0 328.364 3.630 20 0 EHADRM CN(C(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc2ccccc2n1 ZINC000737318429 978396761 /nfs/dbraw/zinc/39/67/61/978396761.db2.gz DKUBPTIOJMPJAI-UHFFFAOYSA-N -1 0 334.375 3.529 20 0 EHADRM C[C@H](CCc1ccc(Br)cc1)Nc1cc(C(=O)[O-])ccn1 ZINC001592537073 978409721 /nfs/dbraw/zinc/40/97/21/978409721.db2.gz CLALFAONTNANSK-LLVKDONJSA-N -1 0 349.228 3.976 20 0 EHADRM C[C@H](CCc1ccc(F)cc1)C(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001592539583 978418619 /nfs/dbraw/zinc/41/86/19/978418619.db2.gz HQQDYAMLAKETIX-VLIAUNLRSA-N -1 0 349.446 3.934 20 0 EHADRM C[C@@H](CCc1ccc(F)cc1)c1nc(-c2cc(C(=O)[O-])co2)no1 ZINC001592539975 978420849 /nfs/dbraw/zinc/42/08/49/978420849.db2.gz MXIABLLEFRLVQZ-JTQLQIEISA-N -1 0 330.315 3.903 20 0 EHADRM C[C@@H](CN(C(=O)CC1(CSc2ccccc2)CC1)C1CC1)C(=O)[O-] ZINC001592557729 978447952 /nfs/dbraw/zinc/44/79/52/978447952.db2.gz PIQCTNDTEAAQRX-AWEZNQCLSA-N -1 0 347.480 3.661 20 0 EHADRM COc1cccc2cc(C(=O)Oc3ccc(C)cc3C(=O)[O-])oc21 ZINC000738113315 978479314 /nfs/dbraw/zinc/47/93/14/978479314.db2.gz DDMMNTCGGUWSDM-UHFFFAOYSA-N -1 0 326.304 3.667 20 0 EHADRM C[C@H](CN(C)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1)C(C)(C)C ZINC001592576599 978484526 /nfs/dbraw/zinc/48/45/26/978484526.db2.gz YDNSRWCFXOQVSB-SNVBAGLBSA-N -1 0 341.477 3.651 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)c1cc(C(C)(C)C)ncn1)C(=O)[O-] ZINC001592610266 978561373 /nfs/dbraw/zinc/56/13/73/978561373.db2.gz VKTLDJHXMPLZIP-AWEZNQCLSA-N -1 0 327.428 3.501 20 0 EHADRM O=C([O-])c1ccc(C(=O)Oc2cccc(OCC(F)(F)F)c2)s1 ZINC000740121433 978669957 /nfs/dbraw/zinc/66/99/57/978669957.db2.gz SHMGNOIIKZHBRX-UHFFFAOYSA-N -1 0 346.282 3.607 20 0 EHADRM O=C([O-])c1ccc(COC(=O)C2(c3cccs3)CCCCC2)o1 ZINC000740133664 978670439 /nfs/dbraw/zinc/67/04/39/978670439.db2.gz PCCPUNNIQDRFGI-UHFFFAOYSA-N -1 0 334.393 3.985 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000761617824 978712037 /nfs/dbraw/zinc/71/20/37/978712037.db2.gz FJJUVKFZIBMZTQ-SUMWQHHRSA-N -1 0 345.826 3.803 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000761617822 978712044 /nfs/dbraw/zinc/71/20/44/978712044.db2.gz FJJUVKFZIBMZTQ-DYVFJYSZSA-N -1 0 345.826 3.803 20 0 EHADRM C/C(=C\c1cccc(Cl)c1)C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000761743653 978714646 /nfs/dbraw/zinc/71/46/46/978714646.db2.gz DMCJXOKIJWNKNJ-RTGRKSDTSA-N -1 0 343.810 3.728 20 0 EHADRM CCCCC[C@@H](NC(=O)c1ccc(Oc2ccccc2)nc1)C(=O)[O-] ZINC000761848299 978715822 /nfs/dbraw/zinc/71/58/22/978715822.db2.gz WQTBNDBAWCATDT-MRXNPFEDSA-N -1 0 342.395 3.637 20 0 EHADRM C/C(=C\C(=O)N[C@H](CC(=O)[O-])c1cccs1)c1ccc(F)cc1 ZINC000766847379 978727601 /nfs/dbraw/zinc/72/76/01/978727601.db2.gz YTGDFKRQJZBMAT-CFRMROPGSA-N -1 0 333.384 3.623 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)ccc1F ZINC000767095076 978734201 /nfs/dbraw/zinc/73/42/01/978734201.db2.gz DEEJFKOJLXOKHF-OLZOCXBDSA-N -1 0 333.746 3.920 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1cccc(Oc2ccncc2)c1 ZINC000769483813 978741105 /nfs/dbraw/zinc/74/11/05/978741105.db2.gz GHJXTIHXXAJUAC-UHFFFAOYSA-N -1 0 342.395 3.639 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC/C=C/c2ccc(F)cc2F)c1OC ZINC000789903056 978798549 /nfs/dbraw/zinc/79/85/49/978798549.db2.gz TYHQBHQIWCJULE-ONEGZZNKSA-N -1 0 349.333 3.806 20 0 EHADRM C/C(=C/c1ccccc1Cl)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000799247590 978839269 /nfs/dbraw/zinc/83/92/69/978839269.db2.gz WCMMAMRQCYRPJN-WQTVUKCASA-N -1 0 341.794 3.958 20 0 EHADRM COc1cc(C)c(NC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1OC ZINC000811814547 978857838 /nfs/dbraw/zinc/85/78/38/978857838.db2.gz ZFSNMOYVOCTLEX-UHFFFAOYSA-N -1 0 349.770 3.616 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)NC2(c3ccccc3)CCC2)c1 ZINC000811815878 978859370 /nfs/dbraw/zinc/85/93/70/978859370.db2.gz DSOPOPGADOTBBN-UHFFFAOYSA-N -1 0 329.783 3.847 20 0 EHADRM CCCCN(CC(F)(F)F)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811816075 978859898 /nfs/dbraw/zinc/85/98/98/978859898.db2.gz KMIPOEWGKOTCLD-UHFFFAOYSA-N -1 0 337.725 3.843 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N[C@H](Cc2ccccc2)C2CC2)c1 ZINC000811819163 978863196 /nfs/dbraw/zinc/86/31/96/978863196.db2.gz HWTSGDRRMVAUMF-QGZVFWFLSA-N -1 0 343.810 3.789 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1cc(C(=O)[O-])ccc1Cl)C(F)(F)F ZINC000811819648 978863966 /nfs/dbraw/zinc/86/39/66/978863966.db2.gz UEBXQVSFCIYWLE-GFCCVEGCSA-N -1 0 337.725 3.745 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2cc3cccc(Cl)c3o2)C1 ZINC000823855270 978939577 /nfs/dbraw/zinc/93/95/77/978939577.db2.gz LQZSJTHUEKPODF-LLVKDONJSA-N -1 0 335.787 3.803 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)c2cccc(C(C)(C)C)c2)sc1C(=O)[O-] ZINC000584301943 1032094678 /nfs/dbraw/zinc/09/46/78/1032094678.db2.gz LYCPBAUPDGJNTH-LLVKDONJSA-N -1 0 346.452 3.938 20 0 EHADRM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000828151006 978971928 /nfs/dbraw/zinc/97/19/28/978971928.db2.gz STYJIJQCRJIDSY-GOEBONIOSA-N -1 0 338.407 3.870 20 0 EHADRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)c1ccccc1 ZINC000832848122 979049718 /nfs/dbraw/zinc/04/97/18/979049718.db2.gz PRWASYFAKOMJTB-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM Cc1cccc(CC2CN(C(=O)Nc3cc(C(=O)[O-])ccc3C)C2)c1 ZINC000832969356 979062541 /nfs/dbraw/zinc/06/25/41/979062541.db2.gz LGXUVFQYTSWIOS-UHFFFAOYSA-N -1 0 338.407 3.708 20 0 EHADRM CC[C@H](C)c1nnc(N(C)Cc2cc(C(=O)[O-])c(C)o2)n1CC(C)C ZINC001595018184 979088433 /nfs/dbraw/zinc/08/84/33/979088433.db2.gz PLJNQLMNOKRKNL-LBPRGKRZSA-N -1 0 348.447 3.684 20 0 EHADRM CC[C@H](C)n1ncc(C(=O)Oc2cc(Cl)ccc2C(=O)[O-])c1C ZINC001595027120 979139243 /nfs/dbraw/zinc/13/92/43/979139243.db2.gz OCASUZKDDYLGCP-VIFPVBQESA-N -1 0 336.775 3.733 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)Nc2cc(C(=O)[O-])sc2C)c1C ZINC001595027457 979143782 /nfs/dbraw/zinc/14/37/82/979143782.db2.gz WCWWXJHDZQTYMN-QMMMGPOBSA-N -1 0 336.417 3.875 20 0 EHADRM CC[C@H](C)n1nccc1C(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1 ZINC001595029063 979155261 /nfs/dbraw/zinc/15/52/61/979155261.db2.gz TZDWIRZQHSAOAT-GOEBONIOSA-N -1 0 349.475 3.788 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccc(Cl)nc1Cl)c1ccccc1F ZINC000833352766 979168096 /nfs/dbraw/zinc/16/80/96/979168096.db2.gz ZHAVCMHKPOHLIE-LLVKDONJSA-N -1 0 344.125 3.510 20 0 EHADRM CC[C@H](CC(F)(F)F)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001595038085 979206663 /nfs/dbraw/zinc/20/66/63/979206663.db2.gz CIESNVPEVJULAQ-YPMHNXCESA-N -1 0 345.361 3.933 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N2CCC[C@@H](c3ccccc3)CC2)c1 ZINC000836739736 979250807 /nfs/dbraw/zinc/25/08/07/979250807.db2.gz BVSYAEVWNTZHNI-GOSISDBHSA-N -1 0 337.419 3.724 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)COc1ccc(OC)cc1C(F)(F)F ZINC001595045767 979255078 /nfs/dbraw/zinc/25/50/78/979255078.db2.gz UTYVNZQZTOVIEP-UHFFFAOYSA-N -1 0 348.317 3.553 20 0 EHADRM CC(C)(C)/C=C\C(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC000836756809 979263904 /nfs/dbraw/zinc/26/39/04/979263904.db2.gz QMGAVZJGBKJAIM-FPLPWBNLSA-N -1 0 344.436 3.727 20 0 EHADRM CCC(CC)(CC(=O)[O-])C(=O)O[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC001595048307 979265166 /nfs/dbraw/zinc/26/51/66/979265166.db2.gz XPKQMJYYQXGALN-LBPRGKRZSA-N -1 0 346.383 3.622 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1ccccc1OCC(C)C ZINC001595049709 979274787 /nfs/dbraw/zinc/27/47/87/979274787.db2.gz AHUYRYRJROLZSV-UHFFFAOYSA-N -1 0 336.432 3.876 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC001595049915 979276223 /nfs/dbraw/zinc/27/62/23/979276223.db2.gz ILRAYLNMMKGYTR-UHFFFAOYSA-N -1 0 332.322 3.860 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1ccc(C)c(-c2ncco2)c1 ZINC001595050679 979279570 /nfs/dbraw/zinc/27/95/70/979279570.db2.gz WNADFQJUXXVZOD-UHFFFAOYSA-N -1 0 345.399 3.805 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1cc(-c2ncco2)ccc1C ZINC001595050775 979280751 /nfs/dbraw/zinc/28/07/51/979280751.db2.gz CHPVQRYPLVMEQI-UHFFFAOYSA-N -1 0 345.399 3.805 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1cc(C)c(Cl)cc1OC ZINC001595051367 979283558 /nfs/dbraw/zinc/28/35/58/979283558.db2.gz XYZLSKQQHORRAH-UHFFFAOYSA-N -1 0 342.823 3.812 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000840944705 979284600 /nfs/dbraw/zinc/28/46/00/979284600.db2.gz ROJQNOXRMLGJCP-CHWSQXEVSA-N -1 0 329.371 3.831 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(Cl)c2ncccc12 ZINC001595053571 979288097 /nfs/dbraw/zinc/28/80/97/979288097.db2.gz YVXVHSFSTLFHHO-UHFFFAOYSA-N -1 0 334.803 3.652 20 0 EHADRM Cc1occc1C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC000841502337 979305304 /nfs/dbraw/zinc/30/53/04/979305304.db2.gz ZCYJUKYXFALACC-UHFFFAOYSA-N -1 0 328.368 3.529 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001595071250 979340380 /nfs/dbraw/zinc/34/03/80/979340380.db2.gz POSRAAHWWURYGD-UHFFFAOYSA-N -1 0 332.322 3.875 20 0 EHADRM C[C@@](COC(=O)CC[C@@H]1CC1(Cl)Cl)(C(=O)[O-])c1ccccc1 ZINC001592764430 979366396 /nfs/dbraw/zinc/36/63/96/979366396.db2.gz KRKICXVHQUJHIE-DOMZBBRYSA-N -1 0 345.222 3.546 20 0 EHADRM C[C@H](COC(=O)C12CCC(C(=O)[O-])(CC1)CC2)OCc1ccccc1 ZINC001592765211 979369011 /nfs/dbraw/zinc/36/90/11/979369011.db2.gz PNWLXRYBRWMYFI-APMMTJHUSA-N -1 0 346.423 3.560 20 0 EHADRM C/C(=C/CN(C)Cc1ccc(Br)cc1Cl)C(=O)[O-] ZINC000846257838 979429248 /nfs/dbraw/zinc/42/92/48/979429248.db2.gz QJDWJDLTZDHNRJ-UITAMQMPSA-N -1 0 332.625 3.565 20 0 EHADRM CCC(CC)c1cc(CNC(=O)Nc2ccc(C(=O)[O-])s2)on1 ZINC001595121760 979495989 /nfs/dbraw/zinc/49/59/89/979495989.db2.gz USEBCFIINNVULC-UHFFFAOYSA-N -1 0 337.401 3.660 20 0 EHADRM CCC(CC)n1nccc1C(=O)Oc1cc(C(=O)[O-])cc(F)c1C ZINC001595125790 979511264 /nfs/dbraw/zinc/51/12/64/979511264.db2.gz JLGCIPHIOQCMDU-UHFFFAOYSA-N -1 0 334.347 3.609 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)o1 ZINC000851596492 979511292 /nfs/dbraw/zinc/51/12/92/979511292.db2.gz SGTBRSUVECMIMR-LECLMCCNSA-N -1 0 343.354 3.788 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC001595126114 979515128 /nfs/dbraw/zinc/51/51/28/979515128.db2.gz QRINXLQRJYKGBZ-WMLDXEAASA-N -1 0 335.419 3.983 20 0 EHADRM C[C@H](CSC(F)(F)F)C(=O)NC1(CCC(=O)[O-])CCCCC1 ZINC001592824840 979539073 /nfs/dbraw/zinc/53/90/73/979539073.db2.gz OSFXYTXKXQDIKU-SNVBAGLBSA-N -1 0 341.395 3.559 20 0 EHADRM C[C@@H](CSC(F)(F)F)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC001592825191 979540381 /nfs/dbraw/zinc/54/03/81/979540381.db2.gz QVZKSFLTJQZKHG-LURJTMIESA-N -1 0 341.738 3.866 20 0 EHADRM C[C@@H](CSc1nc(C(=O)[O-])cs1)C(=O)c1ccc(F)c(F)c1 ZINC001592831538 979557798 /nfs/dbraw/zinc/55/77/98/979557798.db2.gz COVWOKFBNJSIKS-ZETCQYMHSA-N -1 0 343.376 3.731 20 0 EHADRM C[C@H](CSc1ncnc2c(-c3ccccc3)nsc21)C(=O)[O-] ZINC001592832221 979563167 /nfs/dbraw/zinc/56/31/67/979563167.db2.gz ODTUHUKNLJCZTC-SECBINFHSA-N -1 0 331.422 3.566 20 0 EHADRM C[C@@H](CSc1ccccc1)N(C)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001592832422 979564802 /nfs/dbraw/zinc/56/48/02/979564802.db2.gz RRTWPSNGCIEYPL-FUWURINLSA-N -1 0 345.420 3.630 20 0 EHADRM CC(C)c1ccc(C[C@@H](C)NC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC001592833129 979568813 /nfs/dbraw/zinc/56/88/13/979568813.db2.gz BNCSIZZIPGZZSB-RBJHHQRMSA-N -1 0 341.407 3.862 20 0 EHADRM C/C(=C/C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-])c1cccs1 ZINC000856922408 979611650 /nfs/dbraw/zinc/61/16/50/979611650.db2.gz AJMAIDOWDSBNAD-SZGZABIGSA-N -1 0 343.448 3.901 20 0 EHADRM CCCC[C@@H](C(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1)C(C)C ZINC000856926766 979611730 /nfs/dbraw/zinc/61/17/30/979611730.db2.gz IAFVWSYDHULOTE-XLIONFOSSA-N -1 0 331.456 3.704 20 0 EHADRM CC(C)(CCN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1)C(=O)[O-] ZINC000859784060 979630267 /nfs/dbraw/zinc/63/02/67/979630267.db2.gz KDOBOGNCIRPXQR-CQSZACIVSA-N -1 0 346.254 3.868 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)CC[C@@H]2CC2(Cl)Cl)cc1)C(=O)[O-] ZINC001592859797 979683343 /nfs/dbraw/zinc/68/33/43/979683343.db2.gz WPMHTEPVWDHXAB-ZYHUDNBSSA-N -1 0 344.238 3.862 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)/C=C\c2ccc(C(=O)[O-])o2)o1 ZINC000864113496 979705177 /nfs/dbraw/zinc/70/51/77/979705177.db2.gz UPJHJTHZDRIIDK-PEVLQBLXSA-N -1 0 343.379 3.892 20 0 EHADRM CC[C@@H](CNC(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C)C(=O)[O-] ZINC001595164484 979706513 /nfs/dbraw/zinc/70/65/13/979706513.db2.gz VVYVFJNSSZZVLI-ZDUSSCGKSA-N -1 0 331.456 3.876 20 0 EHADRM COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1C ZINC000471122259 1014595788 /nfs/dbraw/zinc/59/57/88/1014595788.db2.gz XATBXEKHMAXONV-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM CN(C(=O)/C=C\c1ccc(C(=O)[O-])o1)[C@@H]1CCCc2ccccc21 ZINC000864125276 979725106 /nfs/dbraw/zinc/72/51/06/979725106.db2.gz QUEBDVQVXJOCGW-UILAEWCASA-N -1 0 325.364 3.527 20 0 EHADRM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000864128970 979729486 /nfs/dbraw/zinc/72/94/86/979729486.db2.gz BCLSDNGCNDFZAW-WQYAIIHGSA-N -1 0 343.354 3.535 20 0 EHADRM Cc1ccc(C)c([C@@H]2CCCN2C(=O)/C=C\c2ccc(C(=O)[O-])o2)c1 ZINC000864129917 979731226 /nfs/dbraw/zinc/73/12/26/979731226.db2.gz OODGNHCSOXBXFB-PXAMLJHWSA-N -1 0 339.391 3.972 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)CCc1ccc(F)c2ccccc12 ZINC000864132530 979734304 /nfs/dbraw/zinc/73/43/04/979734304.db2.gz ARYMYNNLCXNBOC-HNNXBMFYSA-N -1 0 343.398 3.767 20 0 EHADRM C[C@@H](Cc1ccc(NCc2ccc(-c3cc[nH]n3)o2)cc1)C(=O)[O-] ZINC001592876642 979741355 /nfs/dbraw/zinc/74/13/55/979741355.db2.gz BGONTVCPLVMXNE-LBPRGKRZSA-N -1 0 325.368 3.545 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)o1 ZINC000864143353 979748905 /nfs/dbraw/zinc/74/89/05/979748905.db2.gz IUHURQISTTXSEM-XMTZHVTGSA-N -1 0 343.354 3.583 20 0 EHADRM CC(C)n1ncc(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c1Cl ZINC000864149409 979758162 /nfs/dbraw/zinc/75/81/62/979758162.db2.gz RJUBYQQXPMLRJS-SNVBAGLBSA-N -1 0 335.791 3.558 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@](F)(c3ccccc3C)C2)cc1C(=O)[O-] ZINC000864151190 979762009 /nfs/dbraw/zinc/76/20/09/979762009.db2.gz MUXZYKFFZQOTGP-HXUWFJFHSA-N -1 0 341.382 3.713 20 0 EHADRM Cc1ccc([C@H](NC(=O)c2ccc(C)c(C(=O)[O-])c2)C(F)(F)F)o1 ZINC000864153142 979763674 /nfs/dbraw/zinc/76/36/74/979763674.db2.gz YYYGTDQYIFFYPR-ZDUSSCGKSA-N -1 0 341.285 3.628 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-] ZINC001592885945 979771619 /nfs/dbraw/zinc/77/16/19/979771619.db2.gz UUOLAEONQWPQSP-GJZGRUSLSA-N -1 0 343.398 3.506 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC001592890342 979777023 /nfs/dbraw/zinc/77/70/23/979777023.db2.gz GLFDGSGDMRRFLJ-WBMJQRKESA-N -1 0 337.847 3.668 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001592891210 979782464 /nfs/dbraw/zinc/78/24/64/979782464.db2.gz NSORUBVAPJPHOR-GFCCVEGCSA-N -1 0 347.798 3.621 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)O[C@H](C)c1nc(C(=O)[O-])co1 ZINC001592892187 979789559 /nfs/dbraw/zinc/78/95/59/979789559.db2.gz XAXKEIARWZARBL-NXEZZACHSA-N -1 0 337.759 3.509 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)N1CCCc2ccc(C(=O)[O-])cc21 ZINC001592896687 979798173 /nfs/dbraw/zinc/79/81/73/979798173.db2.gz RNULGPFXZBSWBX-CYBMUJFWSA-N -1 0 341.382 3.682 20 0 EHADRM CC[C@H](COC(=O)c1cc(-c2ccco2)nc2ccccc21)C(=O)[O-] ZINC001595182128 979803917 /nfs/dbraw/zinc/80/39/17/979803917.db2.gz IDHKAEOUEAJGRT-GFCCVEGCSA-N -1 0 339.347 3.762 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(/C=C/C(=O)[O-])o1)c1cc(C)ccc1C ZINC000864175864 979816950 /nfs/dbraw/zinc/81/69/50/979816950.db2.gz SSLHUVMIGOIELI-XAVKZTDYSA-N -1 0 327.380 3.875 20 0 EHADRM C[C@@H](Cc1ccco1)C(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001592900320 979819833 /nfs/dbraw/zinc/81/98/33/979819833.db2.gz SDHSYGYRQQIVOG-YVEFUNNKSA-N -1 0 328.364 3.777 20 0 EHADRM C[C@@H](Cc1cncc2ccccc21)C(=O)N(C)c1ccccc1C(=O)[O-] ZINC001592908017 979861187 /nfs/dbraw/zinc/86/11/87/979861187.db2.gz VWNZIKOORIRATD-AWEZNQCLSA-N -1 0 348.402 3.775 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)Cc1ccc(-c2ccccc2)cc1)C1CC1 ZINC000864197624 979865413 /nfs/dbraw/zinc/86/54/13/979865413.db2.gz HWERXIUCSKFPNS-NRFANRHFSA-N -1 0 337.419 3.656 20 0 EHADRM Cc1cc(C(=O)N[C@](C)(CC(=O)[O-])C2CC2)c(C)n1C1CCCCC1 ZINC000864198587 979869763 /nfs/dbraw/zinc/86/97/63/979869763.db2.gz XZRLMPWRDXAUHB-HXUWFJFHSA-N -1 0 346.471 3.983 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)C1CC1 ZINC000864199049 979871908 /nfs/dbraw/zinc/87/19/08/979871908.db2.gz BFHYVHVKXXKCME-WAOWUJCRSA-N -1 0 337.419 3.703 20 0 EHADRM C[C@@H](C(=O)N[C@@](C)(CC(=O)[O-])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000864200013 979875181 /nfs/dbraw/zinc/87/51/81/979875181.db2.gz PASWZLJANUWLFU-ABKXIKBNSA-N -1 0 344.238 3.857 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)/C=C/c1ccsc1C(F)(F)F)C1CC1 ZINC000864200643 979877201 /nfs/dbraw/zinc/87/72/01/979877201.db2.gz BYMFGEQFLBIRHR-IWZWCOEHSA-N -1 0 347.358 3.540 20 0 EHADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)c1sc3ccccc3c1Cl)C2 ZINC000864208816 979892035 /nfs/dbraw/zinc/89/20/35/979892035.db2.gz MBODJIAGBGHKJO-GLSBUQGYSA-N -1 0 335.812 3.538 20 0 EHADRM O=C([O-])c1cc(NC(=O)C2CC3(CC3(F)F)C2)cc2ccccc21 ZINC000864225133 979909641 /nfs/dbraw/zinc/90/96/41/979909641.db2.gz NONFPNKNAKOCQT-UHFFFAOYSA-N -1 0 331.318 3.912 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)[C@H](c2ccccc2)C2CC2)c2ccccc21 ZINC000864227046 979914703 /nfs/dbraw/zinc/91/47/03/979914703.db2.gz UIMNJLLMEJCETQ-OXQOHEQNSA-N -1 0 335.403 3.785 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)C2CC2)c2ccccc21 ZINC000864227048 979914854 /nfs/dbraw/zinc/91/48/54/979914854.db2.gz UIMNJLLMEJCETQ-UZLBHIALSA-N -1 0 335.403 3.785 20 0 EHADRM C[C@H](Cn1ccc2ccccc21)C(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC001592919178 979915185 /nfs/dbraw/zinc/91/51/85/979915185.db2.gz YVTGNFDRCXXZTI-KDOFPFPSSA-N -1 0 337.375 3.647 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)[C@H](C)c2ccccc2F)c1 ZINC000864230368 979927963 /nfs/dbraw/zinc/92/79/63/979927963.db2.gz WJAMEGYRCCJLIY-DYVFJYSZSA-N -1 0 329.371 3.570 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)Cc2cccc(C3CC3)c2)c1 ZINC000864232996 979930878 /nfs/dbraw/zinc/93/08/78/979930878.db2.gz TWQUHFOAKFWQEF-IBGZPJMESA-N -1 0 337.419 3.747 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC001595210770 979985625 /nfs/dbraw/zinc/98/56/25/979985625.db2.gz KIAMOYCCZBKFOQ-FUHIMQAGSA-N -1 0 331.456 3.713 20 0 EHADRM CC(F)(F)c1ccc(CNC(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC001592943735 980016702 /nfs/dbraw/zinc/01/67/02/980016702.db2.gz BNEMYMSZVNJCLY-UHFFFAOYSA-N -1 0 348.349 3.747 20 0 EHADRM CC(F)(F)c1ccccc1NC(=O)N[C@](C)(CC(=O)[O-])C1CC1 ZINC001592944063 980019142 /nfs/dbraw/zinc/01/91/42/980019142.db2.gz ICXOFJDWZZVORE-OAHLLOKOSA-N -1 0 326.343 3.563 20 0 EHADRM C[C@@H](N(C)C(=O)Nc1cccc(SCCC(=O)[O-])c1)C1(C)CC1 ZINC001592950580 980029248 /nfs/dbraw/zinc/02/92/48/980029248.db2.gz ISWSRKHPGRMNDR-GFCCVEGCSA-N -1 0 336.457 3.906 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC001595218941 980035875 /nfs/dbraw/zinc/03/58/75/980035875.db2.gz LRISEJBZESEVOF-OAHLLOKOSA-N -1 0 337.419 3.851 20 0 EHADRM O=C([O-])c1csc(CN2CCO[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000872159089 980042223 /nfs/dbraw/zinc/04/22/23/980042223.db2.gz MGSLWXNSMRIJHK-OAHLLOKOSA-N -1 0 337.828 3.673 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)c1 ZINC000872697683 980076253 /nfs/dbraw/zinc/07/62/53/980076253.db2.gz POBMZNJODHULEG-AWEZNQCLSA-N -1 0 347.436 3.871 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000872721866 980102877 /nfs/dbraw/zinc/10/28/77/980102877.db2.gz MOKMOSKWZUAICO-MRXNPFEDSA-N -1 0 339.391 3.693 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NCCC[C@H]1C=CCC1)C(=O)[O-] ZINC000872756153 980141126 /nfs/dbraw/zinc/14/11/26/980141126.db2.gz PQRGHYFEAOVBAV-KBPBESRZSA-N -1 0 333.453 3.728 20 0 EHADRM CC[C@H](NC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1)c1cccc(Cl)c1 ZINC001595250610 980208169 /nfs/dbraw/zinc/20/81/69/980208169.db2.gz SSWPDQRNHZAPMC-KYOSRNDESA-N -1 0 338.835 3.543 20 0 EHADRM CC(C)Cc1ncc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)s1 ZINC000899294456 980224862 /nfs/dbraw/zinc/22/48/62/980224862.db2.gz CADNNSPBYYRTCY-NSHDSACASA-N -1 0 332.425 3.782 20 0 EHADRM C[C@](NC(=O)CC(C1CCC1)C1CCC1)(C(=O)[O-])c1ccccc1 ZINC001593011046 980244095 /nfs/dbraw/zinc/24/40/95/980244095.db2.gz LVMPJPXIEALGEY-HXUWFJFHSA-N -1 0 329.440 3.709 20 0 EHADRM C[C@](NC(=O)CCCC1CC1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593015059 980259529 /nfs/dbraw/zinc/25/95/29/980259529.db2.gz AJKUBYGYZCKRAT-MRXNPFEDSA-N -1 0 344.238 3.990 20 0 EHADRM CC[C@H](NC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1)C1CCCCC1 ZINC001595265472 980275648 /nfs/dbraw/zinc/27/56/48/980275648.db2.gz VBSZWRBONYAZNJ-KRWDZBQOSA-N -1 0 347.455 3.856 20 0 EHADRM CCN(CC)C(=O)c1ccc(NCc2cc(C(=O)[O-])cs2)cc1 ZINC000901463901 980298426 /nfs/dbraw/zinc/29/84/26/980298426.db2.gz BOSXEQQBUZKGFG-UHFFFAOYSA-N -1 0 332.425 3.540 20 0 EHADRM CC[C@@H](N[C@H](C)c1ncc(C(=O)[O-])s1)c1cc(F)ccc1OC ZINC001595281199 980331918 /nfs/dbraw/zinc/33/19/18/980331918.db2.gz KHBAQHVBUONVJY-BXKDBHETSA-N -1 0 338.404 3.791 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NCc1c(C)nn(C(C)(C)C)c1C ZINC000901641521 980421568 /nfs/dbraw/zinc/42/15/68/980421568.db2.gz KEXNGWGMWIICCN-UHFFFAOYSA-N -1 0 331.416 3.574 20 0 EHADRM Cc1cnccc1CNc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC000901778883 980508924 /nfs/dbraw/zinc/50/89/24/980508924.db2.gz YUMHUDKQIQMMSK-UHFFFAOYSA-N -1 0 325.412 3.691 20 0 EHADRM Cc1ccc2cccc(C(=O)Nc3ccc(/C=C\C(=O)[O-])cc3)c2n1 ZINC000588592476 1032100207 /nfs/dbraw/zinc/10/02/07/1032100207.db2.gz GTOLXSPKSYDHHJ-WQLSENKSSA-N -1 0 332.359 3.893 20 0 EHADRM Cc1ccc([C@@H](NCc2ncc(C(F)(F)F)s2)C(=O)[O-])cc1C ZINC000901844131 980566422 /nfs/dbraw/zinc/56/64/22/980566422.db2.gz LISCTCXUFVAVGJ-CYBMUJFWSA-N -1 0 344.358 3.694 20 0 EHADRM CC[C@H](OC(=O)c1ccccc1S[C@H](C)C(=O)[O-])c1ccncc1 ZINC001595351656 980659790 /nfs/dbraw/zinc/65/97/90/980659790.db2.gz IUZFXYPDZVNMCZ-DOMZBBRYSA-N -1 0 345.420 3.955 20 0 EHADRM CC[C@@H](OC(=O)c1sc(-c2ccc(Cl)cc2)nc1C)C(=O)[O-] ZINC001595353743 980685036 /nfs/dbraw/zinc/68/50/36/980685036.db2.gz JSDRKLIAKJXROY-LLVKDONJSA-N -1 0 339.800 3.792 20 0 EHADRM CC[C@H](OC(=O)c1csc(C(=O)[O-])n1)c1ccc(Cl)cc1F ZINC001595354207 980689580 /nfs/dbraw/zinc/68/95/80/980689580.db2.gz PKIIWDJQHWYXKD-NSHDSACASA-N -1 0 343.763 3.942 20 0 EHADRM CC[C@H](OC(=O)c1nc(-c2ccccc2)oc1C1CC1)[C@@H](C)C(=O)[O-] ZINC001595354288 980690294 /nfs/dbraw/zinc/69/02/94/980690294.db2.gz RLAYAHOROLNDQO-RISCZKNCSA-N -1 0 343.379 3.875 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)N(Cc1ccccc1)C(C)(C)C(=O)[O-] ZINC001595355055 980698241 /nfs/dbraw/zinc/69/82/41/980698241.db2.gz MLANMMSZDHKUFP-QGZVFWFLSA-N -1 0 347.455 3.616 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001595355594 980704057 /nfs/dbraw/zinc/70/40/57/980704057.db2.gz FMXSSHCNKSJTGS-GFCCVEGCSA-N -1 0 325.430 3.739 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)N[C@@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC001595355984 980707313 /nfs/dbraw/zinc/70/73/13/980707313.db2.gz UVDVRDYXWBPRNS-ZWKOTPCHSA-N -1 0 347.455 3.673 20 0 EHADRM Cc1cc(C[N@H+](CC(=O)[O-])C2CCCC2)c(Br)cc1F ZINC000902038528 980708529 /nfs/dbraw/zinc/70/85/29/980708529.db2.gz ICDBUAYDACCNTA-UHFFFAOYSA-N -1 0 344.224 3.726 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001595356176 980709206 /nfs/dbraw/zinc/70/92/06/980709206.db2.gz CAYAXFMGVCIXBK-OXJNMPFZSA-N -1 0 347.455 3.692 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)N([C@@H](C)C(=O)[O-])C1CCC1 ZINC001595356384 980711350 /nfs/dbraw/zinc/71/13/50/980711350.db2.gz CXLMQIXUSDGVBD-YOEHRIQHSA-N -1 0 347.455 3.822 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1cscc1C(F)F ZINC000902097996 980732233 /nfs/dbraw/zinc/73/22/33/980732233.db2.gz HIHWHZSLRAASGZ-ZDUSSCGKSA-N -1 0 337.347 3.510 20 0 EHADRM COc1ccc(OC(F)F)c(N[C@@H]2CC[C@@H](CC(=O)[O-])[C@@H]2C)c1 ZINC000902104684 980736593 /nfs/dbraw/zinc/73/65/93/980736593.db2.gz CLGZFCDRCSKLQT-JBLDHEPKSA-N -1 0 329.343 3.598 20 0 EHADRM CC[C@H](c1ccc(F)cc1F)[S@](=O)Cc1nc(C(=O)[O-])cs1 ZINC001595359818 980745238 /nfs/dbraw/zinc/74/52/38/980745238.db2.gz KZJZWJSIWQEQLB-VERVWZFWSA-N -1 0 345.392 3.520 20 0 EHADRM COCCOc1ccc(N[C@@H]2CC[C@H](CC(=O)[O-])[C@@H]2C)cc1Cl ZINC000902151471 980759329 /nfs/dbraw/zinc/75/93/29/980759329.db2.gz AWROGDAAWVPXAC-YWPYICTPSA-N -1 0 341.835 3.667 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001595361250 980760515 /nfs/dbraw/zinc/76/05/15/980760515.db2.gz GFDZTDMZDWTXCO-MHORFTMASA-N -1 0 329.440 3.877 20 0 EHADRM Cc1oc(CNc2ccccc2OC[C@@H]2CCCCO2)cc1C(=O)[O-] ZINC000902170989 980766567 /nfs/dbraw/zinc/76/65/67/980766567.db2.gz WPVZTMKLTHZULY-AWEZNQCLSA-N -1 0 345.395 3.846 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@H]1CCCC(F)(F)C1 ZINC001595361975 980767102 /nfs/dbraw/zinc/76/71/02/980767102.db2.gz SOPMPIFHUQTMRW-LSDHHAIUSA-N -1 0 339.382 3.876 20 0 EHADRM CN(Cc1ccccc1OCc1ccc(C(=O)[O-])cc1)CC(F)F ZINC000902179086 980771096 /nfs/dbraw/zinc/77/10/96/980771096.db2.gz HRJAUIWRYSEKDV-UHFFFAOYSA-N -1 0 335.350 3.661 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)OC)Cc1ccc(C(=O)[O-])s1 ZINC001595362898 980775957 /nfs/dbraw/zinc/77/59/57/980775957.db2.gz SGEZSNXNYONJHA-HNNXBMFYSA-N -1 0 347.436 3.573 20 0 EHADRM C[C@H](Nc1ccc(OCc2ccccn2)c(Cl)c1)[C@H]1C[C@@H]1C(=O)[O-] ZINC000902193190 980776946 /nfs/dbraw/zinc/77/69/46/980776946.db2.gz WXYQIFKQDWOBNR-GLQYFDAESA-N -1 0 346.814 3.835 20 0 EHADRM C[C@@H](CC(C)(C)CC(=O)[O-])Nc1cccc(CN2CCCCC2=O)c1 ZINC000902198624 980779398 /nfs/dbraw/zinc/77/93/98/980779398.db2.gz FVQPPQOEPGASOX-HNNXBMFYSA-N -1 0 346.471 3.891 20 0 EHADRM CC[C@H](c1ccncc1)N(C)C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001595364232 980791753 /nfs/dbraw/zinc/79/17/53/980791753.db2.gz QJRNAPXGJAMPNG-MRXNPFEDSA-N -1 0 347.459 3.599 20 0 EHADRM CCc1oc(CNCc2ccccc2OCC2CC2)cc1C(=O)[O-] ZINC000902258803 980803101 /nfs/dbraw/zinc/80/31/01/980803101.db2.gz XSRMNVFKNDJVOF-UHFFFAOYSA-N -1 0 329.396 3.619 20 0 EHADRM CC[C@]1(C)Oc2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2O1 ZINC001595372764 980865598 /nfs/dbraw/zinc/86/55/98/980865598.db2.gz UCJAUIKWFKWGHG-GOSISDBHSA-N -1 0 327.336 3.535 20 0 EHADRM CCC1(CC)CN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c2ccccc21 ZINC001595375461 980896183 /nfs/dbraw/zinc/89/61/83/980896183.db2.gz LUHGYYZCNOELKO-CABCVRRESA-N -1 0 329.440 3.982 20 0 EHADRM CCC1(CC)CN(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CCS1 ZINC001595375814 980899752 /nfs/dbraw/zinc/89/97/52/980899752.db2.gz WBPICULUEGVQDV-UHFFFAOYSA-N -1 0 340.420 3.663 20 0 EHADRM O=C([O-])CC1CCC(NCC(F)(F)c2ccc(F)cc2F)CC1 ZINC000902498343 980911036 /nfs/dbraw/zinc/91/10/36/980911036.db2.gz ZVCBYFUKOFBIRU-UHFFFAOYSA-N -1 0 333.325 3.680 20 0 EHADRM CC(C)C[C@H]1COCCN1Cc1ccc(C(=O)[O-])cc1C(F)(F)F ZINC000902516795 980916592 /nfs/dbraw/zinc/91/65/92/980916592.db2.gz LHJCHJQUGSBNBI-AWEZNQCLSA-N -1 0 345.361 3.651 20 0 EHADRM CC[C@@H]1C[C@H](CC(=O)N2CCCc3c(C(=O)[O-])ccc(C)c32)CCO1 ZINC001595407853 980995385 /nfs/dbraw/zinc/99/53/85/980995385.db2.gz FNWVPXAUZHRJBX-HUUCEWRRSA-N -1 0 345.439 3.568 20 0 EHADRM CCC1CCC(NC(=O)C[C@H](C)c2ccccc2F)(C(=O)[O-])CC1 ZINC001595420620 981036934 /nfs/dbraw/zinc/03/69/34/981036934.db2.gz DKTJHQOJYYMTRK-CDJWAVJASA-N -1 0 335.419 3.859 20 0 EHADRM CC[C@@H]1CC[C@H]1Nc1cc(I)cc(C(=O)[O-])c1 ZINC001595431573 981053348 /nfs/dbraw/zinc/05/33/48/981053348.db2.gz WWSSJCJOQRIKNH-PRHODGIISA-N -1 0 345.180 3.590 20 0 EHADRM CC[C@@H]1CCC[C@H]1C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001595436657 981070191 /nfs/dbraw/zinc/07/01/91/981070191.db2.gz TZIFIIBLAWUOLD-XOKHGSTOSA-N -1 0 329.440 3.747 20 0 EHADRM CC[C@@H]1CCCC[C@H]1CNC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001595439044 981073533 /nfs/dbraw/zinc/07/35/33/981073533.db2.gz BNHWMYRXBNIJSG-PMPSAXMXSA-N -1 0 338.492 3.735 20 0 EHADRM CC[C@@H]1CCCC[C@H]1CNC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001595441023 981078451 /nfs/dbraw/zinc/07/84/51/981078451.db2.gz MNDAROORUKPUOA-PBHICJAKSA-N -1 0 344.455 3.669 20 0 EHADRM CC[C@H]1CCCC[C@@H]1CNC(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001595441577 981079741 /nfs/dbraw/zinc/07/97/41/981079741.db2.gz RQCMMJNHWUJEMY-QWHCGFSZSA-N -1 0 334.416 3.731 20 0 EHADRM COC(=O)c1ccc(CNc2ccc(C(C)(C)C(=O)[O-])cc2)c(F)c1 ZINC000904014469 981080776 /nfs/dbraw/zinc/08/07/76/981080776.db2.gz RSDJOYRRWZHKON-UHFFFAOYSA-N -1 0 345.370 3.587 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001595443835 981084053 /nfs/dbraw/zinc/08/40/53/981084053.db2.gz CIUGLZDGTLKZFE-OCCSQVGLSA-N -1 0 333.432 3.541 20 0 EHADRM CC[C@H]1CCCCN1C(=O)[C@@H](C)SCc1ccccc1C(=O)[O-] ZINC001595451316 981107188 /nfs/dbraw/zinc/10/71/88/981107188.db2.gz NUCQCTOBLGYBQQ-HIFRSBDPSA-N -1 0 335.469 3.798 20 0 EHADRM CC[C@@H]1CCC[C@H]1NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001595451706 981109649 /nfs/dbraw/zinc/10/96/49/981109649.db2.gz GKHXKWPDTHPNJN-FVQBIDKESA-N -1 0 332.444 3.716 20 0 EHADRM CC[C@H](NCc1ccc(C(=O)[O-])cn1)c1ccccc1OC(F)F ZINC000905718362 981121903 /nfs/dbraw/zinc/12/19/03/981121903.db2.gz IOJKDYUSBVWJFY-AWEZNQCLSA-N -1 0 336.338 3.622 20 0 EHADRM O=C([O-])c1ccc(CNC2(c3ccc(F)cc3F)CCCC2)nc1 ZINC000905726462 981124624 /nfs/dbraw/zinc/12/46/24/981124624.db2.gz QPNQXUUYMKAMIV-UHFFFAOYSA-N -1 0 332.350 3.617 20 0 EHADRM O=C([O-])c1cnc([C@H]2CC[N@H+](Cc3cc(F)cc(Cl)c3)C2)s1 ZINC000905740395 981133646 /nfs/dbraw/zinc/13/36/46/981133646.db2.gz PAOJSNWIWAXENN-JTQLQIEISA-N -1 0 340.807 3.623 20 0 EHADRM CC[C@@H]1CCCN1C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001595459048 981134742 /nfs/dbraw/zinc/13/47/42/981134742.db2.gz OVZLHVSKXZQJJA-OLZOCXBDSA-N -1 0 344.333 3.572 20 0 EHADRM CC[C@@H]1CCC[C@@H]1NC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001595459157 981136395 /nfs/dbraw/zinc/13/63/95/981136395.db2.gz WFYUJAUXLNOICW-SKDZVZGDSA-N -1 0 344.455 3.683 20 0 EHADRM CC[C@@H]1CCC[C@H]1CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001595459245 981137108 /nfs/dbraw/zinc/13/71/08/981137108.db2.gz XZKJSSCILUINFG-ZJUUUORDSA-N -1 0 326.343 3.611 20 0 EHADRM CSc1ccc(CN[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)o1 ZINC000905753303 981141485 /nfs/dbraw/zinc/14/14/85/981141485.db2.gz ZRWJSBITCIKRMK-ZDUSSCGKSA-N -1 0 345.342 3.936 20 0 EHADRM COc1c(NC(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)cccc1C(=O)[O-] ZINC000906500047 981169901 /nfs/dbraw/zinc/16/99/01/981169901.db2.gz JWNTVDDCDGWBPB-ZIAGYGMSSA-N -1 0 343.354 3.665 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)c2cc(C3CC3)oc2C2CC2)cc1 ZINC000907546201 981186921 /nfs/dbraw/zinc/18/69/21/981186921.db2.gz HVICKCNQGPSGNA-UHFFFAOYSA-N -1 0 339.391 3.705 20 0 EHADRM CC(F)(F)c1cccc(NC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)c1 ZINC000907659074 981204973 /nfs/dbraw/zinc/20/49/73/981204973.db2.gz OXWIUDVYQOEQTD-HNAYVOBHSA-N -1 0 345.345 3.995 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)c2ccccc2C2CCC2)c2ccccc21 ZINC000907756420 981215609 /nfs/dbraw/zinc/21/56/09/981215609.db2.gz JHMUAQGEUKJLIV-MOPGFXCFSA-N -1 0 335.403 3.997 20 0 EHADRM COC1(C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)CCCCCC1 ZINC000907781443 981219044 /nfs/dbraw/zinc/21/90/44/981219044.db2.gz QIBGVHBQNOIMHR-UHFFFAOYSA-N -1 0 337.441 3.785 20 0 EHADRM CC(C)(C)CC(C)(C)C(=O)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC000907787373 981219553 /nfs/dbraw/zinc/21/95/53/981219553.db2.gz BDLXLLQVQKKSLO-LLVKDONJSA-N -1 0 338.473 3.620 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)Nc1ccc(C2CC2)cn1)C(=O)[O-] ZINC000907900876 981238265 /nfs/dbraw/zinc/23/82/65/981238265.db2.gz YSACMGMXONQZIE-NSHDSACASA-N -1 0 342.420 3.777 20 0 EHADRM Cc1cc(C(=O)N2CCc3ccc(C(=O)[O-])cc32)c(C(F)(F)F)o1 ZINC000908064431 981259139 /nfs/dbraw/zinc/25/91/39/981259139.db2.gz AKHWVJQLVVFWER-UHFFFAOYSA-N -1 0 339.269 3.508 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cccc3c2OC(C)(C)C3)c1 ZINC000654984949 1014718899 /nfs/dbraw/zinc/71/88/99/1014718899.db2.gz HILCOJLURTUCSI-UHFFFAOYSA-N -1 0 325.364 3.561 20 0 EHADRM O=C([O-])c1ccccc1-c1ccccc1C(=O)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000908095649 981260894 /nfs/dbraw/zinc/26/08/94/981260894.db2.gz LBBUAEWKAUZSNE-IQUTYRLHSA-N -1 0 335.403 3.970 20 0 EHADRM CC[C@@H]1c2ccccc2CN1C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595503827 981277030 /nfs/dbraw/zinc/27/70/30/981277030.db2.gz DFRGJCGPNLRSNO-GXFFZTMASA-N -1 0 345.424 3.579 20 0 EHADRM CC[C@@H]1c2ccsc2CCN1C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001595505132 981281370 /nfs/dbraw/zinc/28/13/70/981281370.db2.gz YINSRTQSOCNGTP-OAHLLOKOSA-N -1 0 329.421 3.904 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@@H]3CCSc4ccccc43)(CC1)CC2 ZINC000908699466 981341804 /nfs/dbraw/zinc/34/18/04/981341804.db2.gz LKPRBPQQFHGCPS-FTXHTYHOSA-N -1 0 345.464 3.765 20 0 EHADRM CCCC(=CC(=O)NC[C@H](Cc1cccc(C)c1)C(=O)[O-])CCC ZINC001595521776 981342618 /nfs/dbraw/zinc/34/26/18/981342618.db2.gz BVLIZCCWQHZJGF-SFHVURJKSA-N -1 0 331.456 3.881 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000908746769 981352469 /nfs/dbraw/zinc/35/24/69/981352469.db2.gz DUAVQAGWRIHDET-HNNXBMFYSA-N -1 0 325.364 3.578 20 0 EHADRM CCC[C@H](C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccccn1 ZINC001595537036 981385060 /nfs/dbraw/zinc/38/50/60/981385060.db2.gz FTHKKYFIDPZIFL-HOCLYGCPSA-N -1 0 347.798 3.988 20 0 EHADRM CCC[C@H](C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccccn1 ZINC001595537374 981386849 /nfs/dbraw/zinc/38/68/49/981386849.db2.gz KAOGKMQIKLWKIZ-LBPRGKRZSA-N -1 0 332.787 3.956 20 0 EHADRM CCC[C@@H](C(=O)OCc1cc(C(=O)[O-])sc1C)c1ccccn1 ZINC001595538436 981392082 /nfs/dbraw/zinc/39/20/82/981392082.db2.gz LGTUNNBGFCVJFI-CYBMUJFWSA-N -1 0 333.409 3.777 20 0 EHADRM CCC[C@@](C)(NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C)C(=O)[O-] ZINC001595546660 981413406 /nfs/dbraw/zinc/41/34/06/981413406.db2.gz RWFJYOYDUZLDKY-IFXJQAMLSA-N -1 0 335.444 3.645 20 0 EHADRM CCC[C@H]1C[C@H](C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CCO1 ZINC000909272572 981456441 /nfs/dbraw/zinc/45/64/41/981456441.db2.gz QRPAWMCGFJHLBM-YGRLFVJLSA-N -1 0 325.792 3.572 20 0 EHADRM CC[C@@H]1C[C@@H](CC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CCO1 ZINC000909288670 981460263 /nfs/dbraw/zinc/46/02/63/981460263.db2.gz ULZDEUPCZBNZHQ-XJKSGUPXSA-N -1 0 333.428 3.583 20 0 EHADRM CC(C)(CC(=O)N1CC[C@](C)(C(=O)[O-])C1)Cc1ccc(Cl)cc1 ZINC000909300047 981465026 /nfs/dbraw/zinc/46/50/26/981465026.db2.gz WSBZQDMGLNIGFG-SFHVURJKSA-N -1 0 337.847 3.622 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)C[C@@H]2C=CCCC2)cc1 ZINC000909325162 981468761 /nfs/dbraw/zinc/46/87/61/981468761.db2.gz IAPRMOFOHOQKLZ-CJNGLKHVSA-N -1 0 333.453 3.787 20 0 EHADRM O=C([O-])C12CCC(C(=O)NC3CCC(c4ccccc4)CC3)(CC1)C2 ZINC000909401010 981483963 /nfs/dbraw/zinc/48/39/63/981483963.db2.gz NNJWYSARMDKPQI-UHFFFAOYSA-N -1 0 341.451 3.864 20 0 EHADRM O=C([O-])C12CCC(C(=O)Nc3ccc(OC4CCC4)c(F)c3)(CC1)C2 ZINC000909411493 981486753 /nfs/dbraw/zinc/48/67/53/981486753.db2.gz AHEZTMGBPPOCNW-UHFFFAOYSA-N -1 0 347.386 3.731 20 0 EHADRM C[C@@H]1C[C@H]1[C@@H](NC(=O)c1ccoc1CC(=O)[O-])c1ccc(Cl)cc1 ZINC000909413300 981488365 /nfs/dbraw/zinc/48/83/65/981488365.db2.gz QFQFZCCVAJILSS-VMDBXTETSA-N -1 0 347.798 3.687 20 0 EHADRM CCS[C@@H]1CCC[C@@H](NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1 ZINC000909415908 981489523 /nfs/dbraw/zinc/48/95/23/981489523.db2.gz RSFBTHLRTDAPQL-JDPPGYRCSA-N -1 0 339.501 3.592 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)c1cnc2ccc(F)cc2c1 ZINC000909467220 981502517 /nfs/dbraw/zinc/50/25/17/981502517.db2.gz LMHOTIVOYLZBMB-UHFFFAOYSA-N -1 0 332.375 3.529 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)CCCc2ccc(O)c(F)c2)c1 ZINC000909511992 981518862 /nfs/dbraw/zinc/51/88/62/981518862.db2.gz ZDUSJZPVCPACAG-UHFFFAOYSA-N -1 0 345.370 3.510 20 0 EHADRM COc1cccc(C2(C(=O)Nc3cc(C(=O)[O-])c(C)cc3C)CC2)c1 ZINC000909512088 981519239 /nfs/dbraw/zinc/51/92/39/981519239.db2.gz APWZKMYLZZXUTA-UHFFFAOYSA-N -1 0 339.391 3.681 20 0 EHADRM CCC[C@H](CC(C)C)C(=O)Nc1c(F)c(OC)ccc1C(=O)[O-] ZINC001595585713 981526068 /nfs/dbraw/zinc/52/60/68/981526068.db2.gz AOMPCXGIHGDMCQ-LLVKDONJSA-N -1 0 325.380 3.933 20 0 EHADRM CCC[C@@H](CC)C(=O)N[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC001595585913 981527218 /nfs/dbraw/zinc/52/72/18/981527218.db2.gz INIGLBXZIBUZLS-MFKMUULPSA-N -1 0 342.233 3.517 20 0 EHADRM CC(C)c1scnc1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000909521277 981527432 /nfs/dbraw/zinc/52/74/32/981527432.db2.gz AVPJTTDLZXNIPZ-NSHDSACASA-N -1 0 332.425 3.782 20 0 EHADRM CCC[C@@H](CC(C)C)C(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2 ZINC001595586117 981529230 /nfs/dbraw/zinc/52/92/30/981529230.db2.gz PHFGWZJQGBKDFG-NWDGAFQWSA-N -1 0 338.473 3.734 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)CCO1 ZINC000909523557 981529242 /nfs/dbraw/zinc/52/92/42/981529242.db2.gz OMWXZJSCCCMNBE-HFTRVMKXSA-N -1 0 347.455 3.730 20 0 EHADRM CCC[C@@H](CCc1ccccc1)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001595591877 981548285 /nfs/dbraw/zinc/54/82/85/981548285.db2.gz NZTYAVDVLBWBOU-SFHVURJKSA-N -1 0 325.408 3.916 20 0 EHADRM CC1(C)C[C@@H](NC(=O)C23CCC(C(=O)[O-])(CC2)C3)c2ccccc21 ZINC000909724207 981580034 /nfs/dbraw/zinc/58/00/34/981580034.db2.gz KAHWFAYYISPOKC-APMMTJHUSA-N -1 0 327.424 3.560 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@@H]3CC[C@@H](c4ccc(F)cc4)C3)(CC1)C2 ZINC000909725188 981580649 /nfs/dbraw/zinc/58/06/49/981580649.db2.gz WOJDCGCBTFGELJ-NPSWJUPGSA-N -1 0 345.414 3.613 20 0 EHADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C1(Cc2cccs2)CCCCC1 ZINC000909802610 981632433 /nfs/dbraw/zinc/63/24/33/981632433.db2.gz CQJLTZYKPKCPPR-DZGCQCFKSA-N -1 0 335.469 3.563 20 0 EHADRM CCCC1(C(=O)Nc2cc(C(=O)[O-])c(NC(C)=O)cc2Cl)CC1 ZINC001595616220 981641966 /nfs/dbraw/zinc/64/19/66/981641966.db2.gz MRYMDBXSZZRCPU-UHFFFAOYSA-N -1 0 338.791 3.515 20 0 EHADRM COc1cccc2c1[C@H](C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1)CC2 ZINC000909836810 981657545 /nfs/dbraw/zinc/65/75/45/981657545.db2.gz SEUIACVTEOHLHC-MLGOLLRUSA-N -1 0 339.391 3.552 20 0 EHADRM CCC[C@]1(COC)CCCN1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001595618295 981664421 /nfs/dbraw/zinc/66/44/21/981664421.db2.gz RAGCISVFSFWSPM-LJQANCHMSA-N -1 0 348.443 3.517 20 0 EHADRM Cc1cncc(CCC(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)c1 ZINC000909845573 981669973 /nfs/dbraw/zinc/66/99/73/981669973.db2.gz VDCRLNOHSGCICM-GOSISDBHSA-N -1 0 346.471 3.643 20 0 EHADRM CCC[C@@H]1CCC[C@@H]1C(=O)Oc1cc(/C=C\C(=O)[O-])ccc1OC ZINC001595622942 981715691 /nfs/dbraw/zinc/71/56/91/981715691.db2.gz XZGUNBQANIRVEG-IFCOSYQSSA-N -1 0 332.396 3.915 20 0 EHADRM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NCc1ccoc1C(=O)[O-] ZINC000909962977 981715929 /nfs/dbraw/zinc/71/59/29/981715929.db2.gz SFZHOOWCNBORRY-CYBMUJFWSA-N -1 0 344.411 3.673 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)Cc1cccc2ncccc12)c1ccccc1 ZINC001594768215 981728746 /nfs/dbraw/zinc/72/87/46/981728746.db2.gz QNMJMAPQYVRQHK-LJQANCHMSA-N -1 0 348.402 3.674 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)[C@H]1CCC[C@@H]1c1ccccc1)C2 ZINC000910066233 981751336 /nfs/dbraw/zinc/75/13/36/981751336.db2.gz NPZDQQCMNMLVBR-MJGOQNOKSA-N -1 0 349.430 3.853 20 0 EHADRM CC[C@@H](SC)C(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC000910079652 981754661 /nfs/dbraw/zinc/75/46/61/981754661.db2.gz BTFRWSVBJSMCQD-LLVKDONJSA-N -1 0 346.246 3.536 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)N[C@@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC000910153323 981767845 /nfs/dbraw/zinc/76/78/45/981767845.db2.gz RYERATXLCQGEEM-MNOVXSKESA-N -1 0 348.424 3.510 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)CC/C=C/c1ccccc1 ZINC001594780703 981785058 /nfs/dbraw/zinc/78/50/58/981785058.db2.gz HMVGVCANXJMWOL-OEMHODTASA-N -1 0 329.440 3.972 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001594782543 981791334 /nfs/dbraw/zinc/79/13/34/981791334.db2.gz RMIUUQVCCVDDJX-BFUOFWGJSA-N -1 0 335.419 3.811 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cnc(C(C)(C)C)s1 ZINC001594786293 981810157 /nfs/dbraw/zinc/81/01/57/981810157.db2.gz UEGMQDAMAAIOPT-QGZVFWFLSA-N -1 0 338.473 3.546 20 0 EHADRM CCCC[C@H](CC)C(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC001595631972 981846902 /nfs/dbraw/zinc/84/69/02/981846902.db2.gz MFEYMJFULYRTAV-AWEZNQCLSA-N -1 0 325.836 3.970 20 0 EHADRM CCCC[C@@H](CC)CNC(=O)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001595632697 981859176 /nfs/dbraw/zinc/85/91/76/981859176.db2.gz NJUJCOHTRIAQFQ-CQSZACIVSA-N -1 0 348.443 3.505 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1c(C)occ1C(F)(F)F ZINC001594792764 981863680 /nfs/dbraw/zinc/86/36/80/981863680.db2.gz QJLRDVNSZAZOOL-OAHLLOKOSA-N -1 0 347.333 3.712 20 0 EHADRM CCC(C)(C)C1CCC(CC(=O)Nc2ccn(CC(=O)[O-])n2)CC1 ZINC001594796708 981880499 /nfs/dbraw/zinc/88/04/99/981880499.db2.gz IUHMNJNADKHLMU-UHFFFAOYSA-N -1 0 335.448 3.539 20 0 EHADRM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N[C@@H](CC2CC2)C(=O)[O-])CC1 ZINC001594797100 981885146 /nfs/dbraw/zinc/88/51/46/981885146.db2.gz UOAGZGHORHKDOM-SIRSKZSMSA-N -1 0 335.488 3.989 20 0 EHADRM CCC(C)(C)NC(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC001594805795 981908491 /nfs/dbraw/zinc/90/84/91/981908491.db2.gz FFQMFSLBXSZFDR-UHFFFAOYSA-N -1 0 347.440 3.747 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(Oc2ccc(C)cn2)cc1 ZINC001594821500 981971639 /nfs/dbraw/zinc/97/16/39/981971639.db2.gz DPASUBKTDQPOQT-LJQANCHMSA-N -1 0 342.395 3.556 20 0 EHADRM O=C([O-])CC1(CC(=O)N2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)CCCC1 ZINC000910542470 981987432 /nfs/dbraw/zinc/98/74/32/981987432.db2.gz RBRIFVTVYUVZFZ-LRDDRELGSA-N -1 0 347.377 3.603 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@@]2(C)Cc2ccc(F)cc2)oc1C(=O)[O-] ZINC000910536395 981987620 /nfs/dbraw/zinc/98/76/20/981987620.db2.gz QZLCUZAQGLGBDN-IBGZPJMESA-N -1 0 345.370 3.663 20 0 EHADRM CCC(C)(CC)NC(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC001594830360 982011082 /nfs/dbraw/zinc/01/10/82/982011082.db2.gz KPJKQCAGUVGPRB-UHFFFAOYSA-N -1 0 344.415 3.579 20 0 EHADRM CCCC[C@H](S[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-])C(=O)OC ZINC001595651870 982027763 /nfs/dbraw/zinc/02/77/63/982027763.db2.gz LXVYRIUKUDKWDJ-KBPBESRZSA-N -1 0 344.860 3.801 20 0 EHADRM CCCC[C@H](S[C@@H](Cc1ccc(Cl)cc1)C(=O)OC)C(=O)[O-] ZINC001595652291 982033619 /nfs/dbraw/zinc/03/36/19/982033619.db2.gz RWTLVTMAVZFQMH-KBPBESRZSA-N -1 0 344.860 3.801 20 0 EHADRM CCCC[C@H](S[C@@H](C)C(=O)Nc1cc(C)ccc1OC)C(=O)[O-] ZINC001595652699 982036237 /nfs/dbraw/zinc/03/62/37/982036237.db2.gz WKBHZPPJAGUHSM-WFASDCNBSA-N -1 0 339.457 3.707 20 0 EHADRM CCSCc1ccnc(NC(=O)CCc2ccccc2C(=O)[O-])c1 ZINC000910647953 982039837 /nfs/dbraw/zinc/03/98/37/982039837.db2.gz AOBCLBMIIVXQAO-UHFFFAOYSA-N -1 0 344.436 3.604 20 0 EHADRM CC(C)Cn1ncc(NC(=O)c2cccc(CC(=O)[O-])c2)c1C(C)C ZINC000910648913 982040976 /nfs/dbraw/zinc/04/09/76/982040976.db2.gz OOCUOEYDDARVRP-UHFFFAOYSA-N -1 0 343.427 3.542 20 0 EHADRM CC(C)Cn1ncc(NC(=O)c2ccc(C(=O)[O-])cc2F)c1C1CC1 ZINC000910661348 982046630 /nfs/dbraw/zinc/04/66/30/982046630.db2.gz ITSWYRQHNUIWEP-UHFFFAOYSA-N -1 0 345.374 3.506 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1ccc(C(=O)[O-])cc1C)c1nccs1 ZINC001594842769 982064686 /nfs/dbraw/zinc/06/46/86/982064686.db2.gz WQSWGHJDUQABGA-MRXNPFEDSA-N -1 0 333.413 3.597 20 0 EHADRM CC(C)c1sc(NC(=O)[C@@H](C)c2ccccc2F)nc1C(=O)[O-] ZINC000910699025 982069935 /nfs/dbraw/zinc/06/99/35/982069935.db2.gz LYLNIRTXNOFVRE-VIFPVBQESA-N -1 0 336.388 3.846 20 0 EHADRM CC(C)c1sc(NC(=O)[C@H](C)c2ccccc2F)nc1C(=O)[O-] ZINC000910699024 982070146 /nfs/dbraw/zinc/07/01/46/982070146.db2.gz LYLNIRTXNOFVRE-SECBINFHSA-N -1 0 336.388 3.846 20 0 EHADRM CCC[C@H](C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1)C(C)C ZINC000910716638 982079292 /nfs/dbraw/zinc/07/92/92/982079292.db2.gz AGEMEKGZAHJSMJ-QWHCGFSZSA-N -1 0 338.473 3.886 20 0 EHADRM C[C@H](CC(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)c1ccc(F)cc1 ZINC000910734367 982096134 /nfs/dbraw/zinc/09/61/34/982096134.db2.gz TUQVNICHWGMLKN-SECBINFHSA-N -1 0 348.399 3.990 20 0 EHADRM Cc1ccccc1[C@@H](C)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910739389 982100824 /nfs/dbraw/zinc/10/08/24/982100824.db2.gz NAOHBFCZDBIQRX-SNVBAGLBSA-N -1 0 330.409 3.769 20 0 EHADRM COc1cc(C)cc(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)c1C ZINC000910742735 982107042 /nfs/dbraw/zinc/10/70/42/982107042.db2.gz TZLKHZGYHKCRDC-UHFFFAOYSA-N -1 0 346.408 3.596 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1cccnc1Oc1ccccc1 ZINC000910791159 982117289 /nfs/dbraw/zinc/11/72/89/982117289.db2.gz WNYSKGNVLXYZCK-LSDHHAIUSA-N -1 0 340.379 3.703 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NC1CC(CC(=O)[O-])C1 ZINC000910813078 982134336 /nfs/dbraw/zinc/13/43/36/982134336.db2.gz QCZAXGBVNFGQHQ-TTXORMCVSA-N -1 0 344.238 3.542 20 0 EHADRM CCCCC[C@H](NC(=O)c1ccc(C)c(-n2cccc2)c1)C(=O)[O-] ZINC001595681578 982162882 /nfs/dbraw/zinc/16/28/82/982162882.db2.gz RXQADWBONOHJOJ-INIZCTEOSA-N -1 0 328.412 3.549 20 0 EHADRM CC[C@@H](C)[C@H](C(=O)Nc1cc(C)c(C(=O)[O-])cn1)c1ccccc1 ZINC001594865492 982167328 /nfs/dbraw/zinc/16/73/28/982167328.db2.gz IJLGFQSGNWIUBE-PXAZEXFGSA-N -1 0 326.396 3.857 20 0 EHADRM C/C=C(\C)C(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC000910957178 982176967 /nfs/dbraw/zinc/17/69/67/982176967.db2.gz LNVZSIMYCGXRIJ-KGVSQERTSA-N -1 0 326.396 3.538 20 0 EHADRM O=C([O-])c1ccc2[nH]cc(C3CCN(C(=O)C4=CCCC4)CC3)c2c1 ZINC000910958909 982177834 /nfs/dbraw/zinc/17/78/34/982177834.db2.gz YBGINVNDNGRENU-UHFFFAOYSA-N -1 0 338.407 3.682 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)C[C@@H](C)c1c(C)noc1C ZINC000910965283 982179718 /nfs/dbraw/zinc/17/97/18/982179718.db2.gz MEONOSUAOQIGRZ-SNVBAGLBSA-N -1 0 330.384 3.684 20 0 EHADRM CC[C@H](C)[C@H](C(=O)OCc1cccc(C(=O)[O-])n1)c1ccccc1 ZINC001594873825 982196506 /nfs/dbraw/zinc/19/65/06/982196506.db2.gz QDFVLOPGVDTACZ-GUYCJALGSA-N -1 0 327.380 3.653 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)c1 ZINC000911083733 982230209 /nfs/dbraw/zinc/23/02/09/982230209.db2.gz ZBFGZCBDCIMGNR-NTMALXAHSA-N -1 0 343.379 3.945 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)o1 ZINC000911088085 982231482 /nfs/dbraw/zinc/23/14/82/982231482.db2.gz XQRDQPUXXMSVSE-PKNBQFBNSA-N -1 0 340.379 3.620 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2N2CCCCC2)c(F)c1 ZINC000911092459 982231647 /nfs/dbraw/zinc/23/16/47/982231647.db2.gz PNKXNOFELJBHDA-UHFFFAOYSA-N -1 0 342.370 3.767 20 0 EHADRM CCCCCC[C@H](CC)C(=O)N(C)c1nc(CC(=O)[O-])cs1 ZINC001595696608 982232069 /nfs/dbraw/zinc/23/20/69/982232069.db2.gz CVJMROAYBMBUHL-LBPRGKRZSA-N -1 0 326.462 3.730 20 0 EHADRM CCCCCCOc1ccc(C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)cc1 ZINC001595711348 982299184 /nfs/dbraw/zinc/29/91/84/982299184.db2.gz VLJGKZFXSLFTSC-IYBDPMFKSA-N -1 0 333.428 3.581 20 0 EHADRM CCCCCCOc1ccc(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)cc1 ZINC001595714818 982310801 /nfs/dbraw/zinc/31/08/01/982310801.db2.gz HMJLBRLKZUIZKJ-INIZCTEOSA-N -1 0 331.412 3.549 20 0 EHADRM CC(C)(C)Oc1ccc(CNC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1 ZINC000911250874 982313252 /nfs/dbraw/zinc/31/32/52/982313252.db2.gz MAEQLPQENNWENT-UHFFFAOYSA-N -1 0 345.439 3.515 20 0 EHADRM CCCCCNC(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC001595722481 982341652 /nfs/dbraw/zinc/34/16/52/982341652.db2.gz ZSWYCDHRJDSYOZ-UHFFFAOYSA-N -1 0 332.444 3.539 20 0 EHADRM O=C([O-])CC1(CC(=O)N(Cc2ccc(O)cc2)CC2CC2)CCCC1 ZINC000911330885 982354795 /nfs/dbraw/zinc/35/47/95/982354795.db2.gz TUHDNCLXKZUBJW-UHFFFAOYSA-N -1 0 345.439 3.556 20 0 EHADRM Cc1nc(-c2ccccc2NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cs1 ZINC000911374351 982391174 /nfs/dbraw/zinc/39/11/74/982391174.db2.gz QSTWMLDOASHWRH-STQMWFEESA-N -1 0 344.436 3.948 20 0 EHADRM CCCCN(C)c1ccc(NC(=O)c2cccc(CC(=O)[O-])c2)cc1 ZINC001595742162 982405521 /nfs/dbraw/zinc/40/55/21/982405521.db2.gz VNQOWTYQVRLUKD-UHFFFAOYSA-N -1 0 340.423 3.802 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC000911387290 982411174 /nfs/dbraw/zinc/41/11/74/982411174.db2.gz OULKWXUWLLDHHQ-INIZCTEOSA-N -1 0 330.384 3.542 20 0 EHADRM CCCCN(Cc1c(C)oc(C)c1C)C(=O)c1cccc(C(=O)[O-])n1 ZINC001595749249 982421626 /nfs/dbraw/zinc/42/16/26/982421626.db2.gz UGHXBNSZXQSRET-UHFFFAOYSA-N -1 0 344.411 3.741 20 0 EHADRM CCCCN1CCc2ccc(NC(=O)c3ccc(C(=O)[O-])cc3)cc21 ZINC001595751462 982435387 /nfs/dbraw/zinc/43/53/87/982435387.db2.gz SHJRXMZDQDRGIH-UHFFFAOYSA-N -1 0 338.407 3.800 20 0 EHADRM CCCCNc1ccccc1C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC001595763157 982469341 /nfs/dbraw/zinc/46/93/41/982469341.db2.gz AQOYZVJWHCMFCR-QGZVFWFLSA-N -1 0 346.471 3.910 20 0 EHADRM CCCCO[C@@H](C)C(=O)Nc1cc(C(=O)[O-])cc(Cl)c1Cl ZINC001595765342 982490550 /nfs/dbraw/zinc/49/05/50/982490550.db2.gz MNYKWZCOEYHENL-QMMMGPOBSA-N -1 0 334.199 3.835 20 0 EHADRM CCCCO[C@@H]1C[C@@H](N(C)[C@@H](C)c2ncc(C(=O)[O-])s2)C1(C)C ZINC001595770326 982506965 /nfs/dbraw/zinc/50/69/65/982506965.db2.gz GRQMTVXMORHACG-IACUBPJLSA-N -1 0 340.489 3.818 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000911569709 982508566 /nfs/dbraw/zinc/50/85/66/982508566.db2.gz GAEFLBRIKWUOBD-QAPCUYQASA-N -1 0 341.382 3.519 20 0 EHADRM C[C@H]1CCCC[C@H]1C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000911598069 982530001 /nfs/dbraw/zinc/53/00/01/982530001.db2.gz HSZWTTHYIKHIBK-KBXCAEBGSA-N -1 0 344.455 3.614 20 0 EHADRM CC[C@H](C)CCC(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000911599779 982533456 /nfs/dbraw/zinc/53/34/56/982533456.db2.gz ZFQHAQDLKBBVIR-AWEZNQCLSA-N -1 0 332.444 3.614 20 0 EHADRM CCCCOc1ccc(C(=O)Oc2cccc(C(=O)[O-])c2)cc1OC ZINC001595775464 982536253 /nfs/dbraw/zinc/53/62/53/982536253.db2.gz GECBGVLCAXIBJH-UHFFFAOYSA-N -1 0 344.363 3.792 20 0 EHADRM CCCCOc1ccc([C@@H](C)Nc2nccc(C(=O)[O-])n2)cc1OC ZINC001595775668 982539817 /nfs/dbraw/zinc/53/98/17/982539817.db2.gz QAMKKXUPPIEMGR-GFCCVEGCSA-N -1 0 345.399 3.535 20 0 EHADRM CCCCOc1cccc(NC(=O)NCC2(C(=O)[O-])CCCC2)c1 ZINC001595780885 982555573 /nfs/dbraw/zinc/55/55/73/982555573.db2.gz KLACHMYURFSRQP-UHFFFAOYSA-N -1 0 334.416 3.632 20 0 EHADRM CCCCOc1ccc(NCc2ccccc2O[C@@H](C)C(=O)[O-])cn1 ZINC001595781189 982560441 /nfs/dbraw/zinc/56/04/41/982560441.db2.gz ZSYKHTUUBWLYCX-AWEZNQCLSA-N -1 0 344.411 3.725 20 0 EHADRM CC[C@H](C)[C@H]1CCCCN1C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001594931853 982572419 /nfs/dbraw/zinc/57/24/19/982572419.db2.gz XLUWBXOXLZIGCT-SUMWQHHRSA-N -1 0 342.439 3.836 20 0 EHADRM CCCCS[C@@H](C)C(=O)N1CCCCc2cc(C(=O)[O-])ccc21 ZINC001595786163 982574849 /nfs/dbraw/zinc/57/48/49/982574849.db2.gz PZBAPVKDHULZTJ-ZDUSSCGKSA-N -1 0 335.469 3.976 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCc2cc(Cl)c(Cl)cc2[C@H]1C ZINC000911651011 982583816 /nfs/dbraw/zinc/58/38/16/982583816.db2.gz KMJFCUADTDVIFU-NXEZZACHSA-N -1 0 344.238 3.940 20 0 EHADRM CCCCSc1ccc(Cl)cc1C(=O)N[C@@H](CC)C(=O)[O-] ZINC001595791899 982591053 /nfs/dbraw/zinc/59/10/53/982591053.db2.gz JYYMMYSHIYZEGN-LBPRGKRZSA-N -1 0 329.849 3.825 20 0 EHADRM CCCCc1cc(N[C@@H](CCC(=O)[O-])Cc2ccccc2)ncn1 ZINC001595793121 982594777 /nfs/dbraw/zinc/59/47/77/982594777.db2.gz DPXIORQHPSHRFW-KRWDZBQOSA-N -1 0 327.428 3.707 20 0 EHADRM CCCN(C(=O)c1oc2ccccc2c1CSC)[C@H](C)C(=O)[O-] ZINC000911711925 982608865 /nfs/dbraw/zinc/60/88/65/982608865.db2.gz PJSNHSOYBOQNJP-LLVKDONJSA-N -1 0 335.425 3.621 20 0 EHADRM CCCCc1nc(C)c(CC(=O)N(C)c2ccccc2C(=O)[O-])s1 ZINC001595797902 982608963 /nfs/dbraw/zinc/60/89/63/982608963.db2.gz WPJFJEKNFSQTFY-UHFFFAOYSA-N -1 0 346.452 3.698 20 0 EHADRM CC(C)Oc1c(NC(=O)c2ccoc2C2CC2)cccc1C(=O)[O-] ZINC000911733816 982618492 /nfs/dbraw/zinc/61/84/92/982618492.db2.gz JFWWXKAFCVGCMA-UHFFFAOYSA-N -1 0 329.352 3.895 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC001594942415 982619468 /nfs/dbraw/zinc/61/94/68/982619468.db2.gz POBBUYVRAPZQPJ-HNAYVOBHSA-N -1 0 339.435 3.902 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC001594942417 982619472 /nfs/dbraw/zinc/61/94/72/982619472.db2.gz PSBNQMQBBGOIBN-NOZJJQNGSA-N -1 0 332.227 3.542 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)CSc1ccc(C(C)C)cc1)C(=O)[O-] ZINC001594942491 982619982 /nfs/dbraw/zinc/61/99/82/982619982.db2.gz QPBNANYWCWEMFA-BBRMVZONSA-N -1 0 337.485 3.908 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)Cc1cccc(Cl)c1Cl)C(=O)[O-] ZINC001594943099 982622149 /nfs/dbraw/zinc/62/21/49/982622149.db2.gz UUMWFQSYUHGFII-JOYOIKCWSA-N -1 0 332.227 3.542 20 0 EHADRM CO[C@H](C)c1nc(=NC(=O)c2coc3ccc(C(C)C)cc23)s[n-]1 ZINC000510082779 1014857028 /nfs/dbraw/zinc/85/70/28/1014857028.db2.gz RROLCYSMPDKCBJ-SNVBAGLBSA-N -1 0 345.424 3.789 20 0 EHADRM CCCCn1ncc(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c1CC ZINC001595807204 982633754 /nfs/dbraw/zinc/63/37/54/982633754.db2.gz FVSVDDQEQSGDOT-CYBMUJFWSA-N -1 0 343.427 3.686 20 0 EHADRM CCCN(C(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1)[C@H](C)C(=O)[O-] ZINC001595813022 982652720 /nfs/dbraw/zinc/65/27/20/982652720.db2.gz GIQDNNVIDOMFAI-NWDGAFQWSA-N -1 0 345.361 3.596 20 0 EHADRM CC[C@H](C)C[C@@H](Nc1nn2cc(-c3ccccc3)nc2s1)C(=O)[O-] ZINC001594953403 982679405 /nfs/dbraw/zinc/67/94/05/982679405.db2.gz RVICUKIFVFDUQF-WCQYABFASA-N -1 0 344.440 3.759 20 0 EHADRM CC[C@@H](C)CCC(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC001594953751 982681943 /nfs/dbraw/zinc/68/19/43/982681943.db2.gz VPCIFGYZEKJYMZ-GFCCVEGCSA-N -1 0 327.371 3.594 20 0 EHADRM CCCN(C(=O)Nc1cc(-c2ccncc2)sc1C(=O)[O-])C1CC1 ZINC001595821892 982690951 /nfs/dbraw/zinc/69/09/51/982690951.db2.gz NJHJEEKYYWTNQS-UHFFFAOYSA-N -1 0 345.424 3.915 20 0 EHADRM CC[C@@H](C)CCCCC(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001594959048 982703169 /nfs/dbraw/zinc/70/31/69/982703169.db2.gz JKFASYOHXABMJM-UZLBHIALSA-N -1 0 331.456 3.848 20 0 EHADRM CCCN(C(=O)c1cc(C)c(C(=O)[O-])o1)[C@H]1CCc2ccccc21 ZINC001595824628 982705562 /nfs/dbraw/zinc/70/55/62/982705562.db2.gz OLXJHBQTZCMMFH-HNNXBMFYSA-N -1 0 327.380 3.826 20 0 EHADRM CCCN(C(=O)c1cc2c(ccc3ccccc23)o1)[C@@H](C)C(=O)[O-] ZINC001595826069 982708350 /nfs/dbraw/zinc/70/83/50/982708350.db2.gz AGGGYRNQTBOORZ-LBPRGKRZSA-N -1 0 325.364 3.911 20 0 EHADRM CCCN(C(=O)c1ccc(Oc2ccccc2C)cn1)[C@H](C)C(=O)[O-] ZINC001595827989 982713622 /nfs/dbraw/zinc/71/36/22/982713622.db2.gz WPKPMCPHWOBTGB-CQSZACIVSA-N -1 0 342.395 3.508 20 0 EHADRM CCCN(C(=O)c1ccc(Cl)c(C(F)(F)F)c1)[C@@H](C)C(=O)[O-] ZINC001595828083 982714616 /nfs/dbraw/zinc/71/46/16/982714616.db2.gz ZSKNDBDYFIODOQ-QMMMGPOBSA-N -1 0 337.725 3.684 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C[C@@H]2CC=CCC2)c(OCC(F)F)c1 ZINC000923098843 982723205 /nfs/dbraw/zinc/72/32/05/982723205.db2.gz RBCWRGDYZQDWQA-LLVKDONJSA-N -1 0 339.338 3.714 20 0 EHADRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)[C@@]1(C)C=CCC1 ZINC000923105212 982727799 /nfs/dbraw/zinc/72/77/99/982727799.db2.gz OYSQZMXYSLIVAF-HNNXBMFYSA-N -1 0 338.201 3.751 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)CCCc1ccc2c(c1)CCCC2 ZINC001594971056 982739328 /nfs/dbraw/zinc/73/93/28/982739328.db2.gz GFRFYNXCRWLHDI-HNNXBMFYSA-N -1 0 331.456 3.600 20 0 EHADRM Cc1cc(CCCC(=O)NCCc2ccccc2C(=O)[O-])c(C)s1 ZINC000923123410 982742334 /nfs/dbraw/zinc/74/23/34/982742334.db2.gz XBIGFPKKJLHKNJ-UHFFFAOYSA-N -1 0 345.464 3.745 20 0 EHADRM CC(C)(C)c1ccc(C(=O)NCCc2ccccc2C(=O)[O-])s1 ZINC000923133873 982746398 /nfs/dbraw/zinc/74/63/98/982746398.db2.gz WSBSCJTYAYKSLT-UHFFFAOYSA-N -1 0 331.437 3.716 20 0 EHADRM CCCN(C)c1ccc(C(=O)Nc2nc(CC)c(C(=O)[O-])s2)cc1 ZINC001595839992 982758272 /nfs/dbraw/zinc/75/82/72/982758272.db2.gz NETRVSIAWHLLTH-UHFFFAOYSA-N -1 0 347.440 3.502 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cccc(Nc2ccccc2)c1 ZINC000923155914 982772693 /nfs/dbraw/zinc/77/26/93/982772693.db2.gz XEALWYFTPPEXBC-GDBMZVCRSA-N -1 0 338.407 3.756 20 0 EHADRM CC[C@@H](C)N(CCc1ccccc1F)C(=O)c1ccc(C(=O)[O-])o1 ZINC001594985173 982797519 /nfs/dbraw/zinc/79/75/19/982797519.db2.gz IKYBKHLSGHOWPT-GFCCVEGCSA-N -1 0 333.359 3.600 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)Nc2cc(-c3n[nH]c(=O)[n-]3)ccc2C)C1(C)C ZINC000655050610 1014881156 /nfs/dbraw/zinc/88/11/56/1014881156.db2.gz QENDJSOFIMQTQP-UKRRQHHQSA-N -1 0 340.427 3.663 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)NCc2cccc(Cl)c2)cc1 ZINC000108065461 1014882636 /nfs/dbraw/zinc/88/26/36/1014882636.db2.gz NHOPXHZLBBHNFV-QHCPKHFHSA-N -1 0 349.883 3.887 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C\C(=O)N(CC(=O)[O-])C1CCCC1 ZINC001595004706 982918632 /nfs/dbraw/zinc/91/86/32/982918632.db2.gz LDELFKDYSOHREJ-WIDZWVOGSA-N -1 0 345.439 3.733 20 0 EHADRM CC[C@@H](C)Sc1ccc(NC(=O)c2cc(C(=O)[O-])no2)c(C)c1 ZINC001595005037 982919144 /nfs/dbraw/zinc/91/91/44/982919144.db2.gz MHDYDRCTIJAJFN-SNVBAGLBSA-N -1 0 334.397 3.824 20 0 EHADRM CCCN(c1ncc(C(=O)[O-])cn1)[C@H](C)c1cc2ccccc2o1 ZINC001595894378 982928139 /nfs/dbraw/zinc/92/81/39/982928139.db2.gz ATVNAGKFRQVJHL-GFCCVEGCSA-N -1 0 325.368 3.899 20 0 EHADRM CCn1cc(CC(=O)Nc2ccc(C(=O)[O-])cc2C)c2ccccc21 ZINC001116326137 982929130 /nfs/dbraw/zinc/92/91/30/982929130.db2.gz UIBSFNTUPUHRGQ-UHFFFAOYSA-N -1 0 336.391 3.849 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2CSc3ccccc32)cc1 ZINC001116479180 982929852 /nfs/dbraw/zinc/92/98/52/982929852.db2.gz MQKXJHOGYMQXGE-HZPDHXFCSA-N -1 0 341.432 3.517 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CC[C@H]2CCCC[C@H]2C1)C(=O)[O-] ZINC001116480906 982930790 /nfs/dbraw/zinc/93/07/90/982930790.db2.gz VOWUBUOUOVLVRS-ZNMIVQPWSA-N -1 0 347.480 3.904 20 0 EHADRM CC[C@@H](C)c1ccc(OS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC001595009017 982931011 /nfs/dbraw/zinc/93/10/11/982931011.db2.gz AMSJAMHZYCQIHJ-CYBMUJFWSA-N -1 0 348.420 3.807 20 0 EHADRM CC[C@H](C)c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC001595009881 982937888 /nfs/dbraw/zinc/93/78/88/982937888.db2.gz KXGRDGIUUQZTRT-SJCJKPOMSA-N -1 0 329.371 3.895 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)N[C@@H](CC(C)(C)C)C(=O)[O-] ZINC001595013938 982950304 /nfs/dbraw/zinc/95/03/04/982950304.db2.gz OFRMQROSWBGZHG-ZFWWWQNUSA-N -1 0 335.444 3.585 20 0 EHADRM Cc1oc(CN(C)C(=O)c2cccc(OC(C)(C)C)c2)cc1C(=O)[O-] ZINC001119075529 982975336 /nfs/dbraw/zinc/97/53/36/982975336.db2.gz IBDXSZCODCETJA-UHFFFAOYSA-N -1 0 345.395 3.736 20 0 EHADRM Cc1ccccc1C1(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)CC1 ZINC001119585649 982994330 /nfs/dbraw/zinc/99/43/30/982994330.db2.gz PPHSYXWPKPQEHH-UHFFFAOYSA-N -1 0 344.436 3.943 20 0 EHADRM Cc1oc(CN(C)C(=O)c2scnc2C2CCCC2)cc1C(=O)[O-] ZINC001119640696 983010835 /nfs/dbraw/zinc/01/08/35/983010835.db2.gz NVZQXTQCGKVCSY-UHFFFAOYSA-N -1 0 348.424 3.673 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)CC1(C(F)(F)F)CC1)C1CCCCCC1 ZINC001119682640 983021099 /nfs/dbraw/zinc/02/10/99/983021099.db2.gz PTHJLKQHKCTHRJ-LBPRGKRZSA-N -1 0 335.366 3.506 20 0 EHADRM CCCO[C@@H]1CCCN(c2ncc(C(=O)[O-])cc2C(F)(F)F)CC1 ZINC001595945178 983100984 /nfs/dbraw/zinc/10/09/84/983100984.db2.gz ILMQVCPLZSBKEW-GFCCVEGCSA-N -1 0 346.349 3.584 20 0 EHADRM CCCOc1ccc(-c2nc(C(=O)O[C@H](C)CC(=O)[O-])cs2)cc1 ZINC001595953018 983132869 /nfs/dbraw/zinc/13/28/69/983132869.db2.gz YWVGQLZFYQPVEC-LLVKDONJSA-N -1 0 349.408 3.619 20 0 EHADRM CCCOc1ccc(CNC(=O)Nc2cccc(C(=O)[O-])c2)c(C)c1 ZINC001595956535 983145716 /nfs/dbraw/zinc/14/57/16/983145716.db2.gz JOXVEZPYUZPWEQ-UHFFFAOYSA-N -1 0 342.395 3.804 20 0 EHADRM CCCOc1ccc(COC(=O)c2ccc(C(=O)[O-])s2)c(C)c1 ZINC001595960502 983152351 /nfs/dbraw/zinc/15/23/51/983152351.db2.gz GXYATVNYSOXEMS-UHFFFAOYSA-N -1 0 334.393 3.901 20 0 EHADRM CCCc1[nH]ccc1C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC001596026605 983289362 /nfs/dbraw/zinc/28/93/62/983289362.db2.gz KSIOXAFPPUROIS-UHFFFAOYSA-N -1 0 335.429 3.672 20 0 EHADRM CCCc1ccc(CCCC(=O)Nc2cc(C(=O)[O-])ccn2)cc1 ZINC001596062603 983372435 /nfs/dbraw/zinc/37/24/35/983372435.db2.gz GWRITXMQTGZYRY-UHFFFAOYSA-N -1 0 326.396 3.694 20 0 EHADRM CCCc1ccc(CCCC(=O)OCc2ccc(C(=O)[O-])o2)cc1 ZINC001596062847 983372760 /nfs/dbraw/zinc/37/27/60/983372760.db2.gz KVZAPDZWGGONMV-UHFFFAOYSA-N -1 0 330.380 3.996 20 0 EHADRM CCCc1nc(C)c(COc2ccc(/C=C/C(=O)[O-])cc2OC)o1 ZINC001596083272 983404390 /nfs/dbraw/zinc/40/43/90/983404390.db2.gz JCPSCMYEUVVYQL-VQHVLOKHSA-N -1 0 331.368 3.621 20 0 EHADRM CCCc1nc(CN[C@@](C)(CC(=O)[O-])c2cccc(F)c2)cs1 ZINC001596090051 983414697 /nfs/dbraw/zinc/41/46/97/983414697.db2.gz RQGIWSUROPVOMY-KRWDZBQOSA-N -1 0 336.432 3.714 20 0 EHADRM CCCn1c(C)nnc1CSc1cc(Cl)ccc1C(=O)[O-] ZINC001596108775 983435714 /nfs/dbraw/zinc/43/57/14/983435714.db2.gz OXXRYQLURDRZHF-UHFFFAOYSA-N -1 0 325.821 3.640 20 0 EHADRM CCCn1c(C)nnc1S[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001596108917 983436742 /nfs/dbraw/zinc/43/67/42/983436742.db2.gz WRJINSYFKWSQQT-GFCCVEGCSA-N -1 0 325.821 3.568 20 0 EHADRM CCCn1ncc(NC(=O)Nc2cccc(C(=O)[O-])c2C)c1C1CC1 ZINC001596120129 983453778 /nfs/dbraw/zinc/45/37/78/983453778.db2.gz FCJBTQGBCGMICK-UHFFFAOYSA-N -1 0 342.399 3.821 20 0 EHADRM CCN(C(=O)CC1(CC(=O)[O-])CCCC1)[C@@H](C)Cc1ccsc1 ZINC001596134419 983483619 /nfs/dbraw/zinc/48/36/19/983483619.db2.gz YUJXFONIGJRXJQ-AWEZNQCLSA-N -1 0 337.485 3.953 20 0 EHADRM CCN(C(=O)NCc1cc(C(=O)[O-])c(C)o1)[C@@H](C)c1ccc(F)cc1 ZINC001596148860 983505650 /nfs/dbraw/zinc/50/56/50/983505650.db2.gz FBHUQMOJLMDMQT-NSHDSACASA-N -1 0 348.374 3.718 20 0 EHADRM CCN(C(=O)Nc1cc(COC)cc(C(=O)[O-])c1)C1CC(C)(C)C1 ZINC001596151071 983511409 /nfs/dbraw/zinc/51/14/09/983511409.db2.gz SLXRCSUGTOKLLN-UHFFFAOYSA-N -1 0 334.416 3.574 20 0 EHADRM CCN(C(=O)c1ccc(-c2cccc(F)c2)s1)C(C)(C)C(=O)[O-] ZINC001596165634 983530612 /nfs/dbraw/zinc/53/06/12/983530612.db2.gz XZNWMBFRPYSGDT-UHFFFAOYSA-N -1 0 335.400 3.880 20 0 EHADRM CCN(C(=O)c1coc2cc(F)ccc21)c1ccccc1C(=O)[O-] ZINC001596172900 983538165 /nfs/dbraw/zinc/53/81/65/983538165.db2.gz KJHJDINBQVCGPE-UHFFFAOYSA-N -1 0 327.311 3.937 20 0 EHADRM CCN(CC)c1ccc(C(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC001596289448 983709473 /nfs/dbraw/zinc/70/94/73/983709473.db2.gz INSMVNDVVICZCR-GFCCVEGCSA-N -1 0 331.368 3.742 20 0 EHADRM CCN(Cc1ccc(C(=O)[O-])o1)Cc1ccccc1Br ZINC001596357413 983827374 /nfs/dbraw/zinc/82/73/74/983827374.db2.gz FETIEPRQHMNTHP-UHFFFAOYSA-N -1 0 338.201 3.762 20 0 EHADRM CCN(Cc1ccc2ccccc2c1)C(=O)c1csc(C(=O)[O-])n1 ZINC001596364570 983849213 /nfs/dbraw/zinc/84/92/13/983849213.db2.gz NUTCTJVVQKGPAL-UHFFFAOYSA-N -1 0 340.404 3.657 20 0 EHADRM CCN(Cc1ccccc1Cl)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001596371411 983869284 /nfs/dbraw/zinc/86/92/84/983869284.db2.gz CRSVVWBCYBQHGZ-UHFFFAOYSA-N -1 0 334.803 3.645 20 0 EHADRM CCNc1ccc(C)cc1C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC001596501328 984254307 /nfs/dbraw/zinc/25/43/07/984254307.db2.gz OVNRHJOIWVILAO-CYBMUJFWSA-N -1 0 326.396 3.867 20 0 EHADRM CCNc1nnc(S[C@H](C(=O)[O-])c2ccc(Cl)cc2)s1 ZINC001596509308 984269886 /nfs/dbraw/zinc/26/98/86/984269886.db2.gz GVWVVXHCYIPYRV-VIFPVBQESA-N -1 0 329.834 3.541 20 0 EHADRM CCOC(=O)CCCCCSc1nc2ccc(C(=O)[O-])cc2o1 ZINC001596603844 984566998 /nfs/dbraw/zinc/56/69/98/984566998.db2.gz SCSKVOKXPQAOAJ-UHFFFAOYSA-N -1 0 337.397 3.742 20 0 EHADRM C=Cc1ccc(C(=O)Nc2ccc(OCC)c(F)c2C(=O)[O-])cc1 ZINC001588919454 984572354 /nfs/dbraw/zinc/57/23/54/984572354.db2.gz MMIZYBJUDXJSFV-UHFFFAOYSA-N -1 0 329.327 3.818 20 0 EHADRM C/C(=C/C(=O)N(C)C1(C(=O)[O-])CCCCC1)c1cccc(Cl)c1 ZINC001588933143 984611703 /nfs/dbraw/zinc/61/17/03/984611703.db2.gz PLRVOAHHHTYPOY-QBFSEMIESA-N -1 0 335.831 3.989 20 0 EHADRM C/C(=C\C(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1)c1ccc(F)cc1 ZINC001588939802 984631379 /nfs/dbraw/zinc/63/13/79/984631379.db2.gz SUPGVEPSUNNBME-VUVZNRFTSA-N -1 0 341.382 3.788 20 0 EHADRM C[C@H](C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])c1ccccc1 ZINC001599885921 984636479 /nfs/dbraw/zinc/63/64/79/984636479.db2.gz VBHOHNKWHYPTEU-WMLDXEAASA-N -1 0 325.408 3.758 20 0 EHADRM C/C(=C\C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O)c1ccccc1 ZINC001588944082 984644197 /nfs/dbraw/zinc/64/41/97/984644197.db2.gz NZWQDAYUNMFDEB-JXMROGBWSA-N -1 0 331.755 3.786 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)N1CCOc2ccccc2[C@H]1C(=O)[O-] ZINC001599890757 984690882 /nfs/dbraw/zinc/69/08/82/984690882.db2.gz BLIOZKFAMOTISN-KDOFPFPSSA-N -1 0 345.439 3.640 20 0 EHADRM C/C(=C\C(=O)OCc1cccc(C(=O)[O-])n1)c1ccccc1Cl ZINC001588953263 984693545 /nfs/dbraw/zinc/69/35/45/984693545.db2.gz MPYCNGQEIAQFGW-PKNBQFBNSA-N -1 0 331.755 3.580 20 0 EHADRM C/C(=C/CN[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)C(=O)[O-] ZINC001588982137 984876345 /nfs/dbraw/zinc/87/63/45/984876345.db2.gz OULRTINWXLVSTK-IBHLPDHGSA-N -1 0 325.689 3.703 20 0 EHADRM C[C@H](OC(=O)C1(Oc2ccccc2)CC1)c1ccc(C(=O)[O-])cc1 ZINC001599904784 984907304 /nfs/dbraw/zinc/90/73/04/984907304.db2.gz FZPPJCJAYWKHLY-ZDUSSCGKSA-N -1 0 326.348 3.601 20 0 EHADRM C/C(=C\Cl)CS[C@@H](C)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001588991242 984914340 /nfs/dbraw/zinc/91/43/40/984914340.db2.gz UFKQEBJHDMVHGK-IYNCYZAOSA-N -1 0 333.862 3.958 20 0 EHADRM C[C@H]1CC[C@@](NCc2ncc(-c3ccc(F)cc3)o2)(C(=O)[O-])CC1 ZINC001599909505 984967002 /nfs/dbraw/zinc/96/70/02/984967002.db2.gz PCFGRYGUHLKBAJ-KSMLVUNXSA-N -1 0 332.375 3.604 20 0 EHADRM CC(=O)[C@H](C)CCCCC(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC001589023777 985025688 /nfs/dbraw/zinc/02/56/88/985025688.db2.gz VOUQVNOBDUHDAO-JLSDUUJJSA-N -1 0 345.439 3.589 20 0 EHADRM CC(=O)N(c1ccc(NCc2cc(C(=O)[O-])cs2)cc1)C1CC1 ZINC001589051618 985140777 /nfs/dbraw/zinc/14/07/77/985140777.db2.gz LFKAMQPSGDGVLQ-UHFFFAOYSA-N -1 0 330.409 3.574 20 0 EHADRM CCO[C@H](C(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21)C1CCCC1 ZINC001596766236 985169795 /nfs/dbraw/zinc/16/97/95/985169795.db2.gz NCADORQSFCATIO-ROUUACIJSA-N -1 0 346.423 3.901 20 0 EHADRM CCO[C@@H](c1nc(COc2cccc(C(=O)[O-])c2)no1)C1CCCC1 ZINC001596790376 985265024 /nfs/dbraw/zinc/26/50/24/985265024.db2.gz MKDQALJTVNLUOJ-MRXNPFEDSA-N -1 0 346.383 3.615 20 0 EHADRM C[C@H]1Cc2ccccc2N(C(=O)c2csc(Cl)c2)[C@H]1C(=O)[O-] ZINC001599935859 985393720 /nfs/dbraw/zinc/39/37/20/985393720.db2.gz GMKHWOUIAIZSAX-LKFCYVNXSA-N -1 0 335.812 3.694 20 0 EHADRM C[C@H]1c2ccccc2C[C@H]1NC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001599937261 985410928 /nfs/dbraw/zinc/41/09/28/985410928.db2.gz SVRWLDDXMKQYLO-APPDUMDISA-N -1 0 349.390 3.716 20 0 EHADRM C[Si](C)(C)CCCC(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC001599939762 985440596 /nfs/dbraw/zinc/44/05/96/985440596.db2.gz JQIUUYOEWMWGPK-MRXNPFEDSA-N -1 0 335.520 3.697 20 0 EHADRM Cc1[nH]c(-c2ccccc2)nc1C(=O)OCc1ccc(C(=O)[O-])s1 ZINC001599941613 985461881 /nfs/dbraw/zinc/46/18/81/985461881.db2.gz UYSXREOTPPCCDW-UHFFFAOYSA-N -1 0 342.376 3.502 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)[C@@H]1c1ccccc1 ZINC001594478428 985504331 /nfs/dbraw/zinc/50/43/31/985504331.db2.gz BJFUHVWKXAGHBX-ZBEGNZNMSA-N -1 0 328.343 3.749 20 0 EHADRM CC(=O)Nc1cc(-c2nc(C(=O)[O-])c(-c3ccccc3)s2)ccn1 ZINC001589166838 985518873 /nfs/dbraw/zinc/51/88/73/985518873.db2.gz UKKYLUZKUXXNFI-UHFFFAOYSA-N -1 0 339.376 3.529 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cccc(F)c2C(=O)[O-])Cc2ccccc21 ZINC001594481741 985531863 /nfs/dbraw/zinc/53/18/63/985531863.db2.gz FJFRQZRXAFXOED-NSHDSACASA-N -1 0 328.343 3.675 20 0 EHADRM CC(=O)Nc1cc(Cl)c(NC(=O)C2CCCCC2)cc1C(=O)[O-] ZINC001589173283 985536255 /nfs/dbraw/zinc/53/62/55/985536255.db2.gz RZSZXZCHNSGFLL-UHFFFAOYSA-N -1 0 338.791 3.515 20 0 EHADRM CC(=O)Nc1cc(NC(=O)c2ccc(C)c(C(=O)[O-])c2)ccc1Cl ZINC001589180808 985553959 /nfs/dbraw/zinc/55/39/59/985553959.db2.gz MDIDESQBRBULSQ-UHFFFAOYSA-N -1 0 346.770 3.557 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)SCc2coc(C3CC3)n2)c(C)c1C(=O)[O-] ZINC001599947779 985558307 /nfs/dbraw/zinc/55/83/07/985558307.db2.gz HLEYHUGYYCNPSK-JTQLQIEISA-N -1 0 348.424 3.700 20 0 EHADRM CC(=O)Nc1ccc(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])cc1 ZINC001589188061 985582626 /nfs/dbraw/zinc/58/26/26/985582626.db2.gz SSMUNRVWIPJWTM-UHFFFAOYSA-N -1 0 340.379 3.719 20 0 EHADRM Cc1[nH]c(C(=O)N2CC3(CCCC3)[C@@H]2c2ccco2)c(C)c1C(=O)[O-] ZINC001599950088 985592760 /nfs/dbraw/zinc/59/27/60/985592760.db2.gz DLNKWRTZMOQZBU-INIZCTEOSA-N -1 0 342.395 3.680 20 0 EHADRM C[C@@H]1CN([C@H](C(=O)[O-])c2c(F)cccc2Cl)CC2(CCCC2)O1 ZINC001594498941 985661825 /nfs/dbraw/zinc/66/18/25/985661825.db2.gz AYPTVJYZRSHPGZ-ABAIWWIYSA-N -1 0 341.810 3.638 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1ccc(F)c(C(F)F)c1 ZINC001599956757 985701872 /nfs/dbraw/zinc/70/18/72/985701872.db2.gz POSBNQAFGWUUSO-UHFFFAOYSA-N -1 0 326.274 3.659 20 0 EHADRM CCOCCC1(C(=O)OCc2cc(C(=O)[O-])ccc2F)CCCC1 ZINC001596898991 985860018 /nfs/dbraw/zinc/86/00/18/985860018.db2.gz DVIFMPKJIYIQHK-UHFFFAOYSA-N -1 0 338.375 3.554 20 0 EHADRM Cc1[nH]c(CNc2cnn(CCC(C)C)c2C(C)C)cc1C(=O)[O-] ZINC001599965890 985904091 /nfs/dbraw/zinc/90/40/91/985904091.db2.gz LGRWRAZXEFFERZ-UHFFFAOYSA-N -1 0 332.448 3.999 20 0 EHADRM Cc1nc(SCc2ncccc2C(=O)[O-])[nH]c1Cc1ccccc1 ZINC001599965891 985904240 /nfs/dbraw/zinc/90/42/40/985904240.db2.gz LLBSGJJHYFOWAJ-UHFFFAOYSA-N -1 0 339.420 3.694 20 0 EHADRM CC(=O)c1cc(C(=O)O[C@H](C(=O)[O-])c2ccccc2Cl)cs1 ZINC001589268533 985954684 /nfs/dbraw/zinc/95/46/84/985954684.db2.gz SVQUWCRSEFEACS-ZDUSSCGKSA-N -1 0 338.768 3.587 20 0 EHADRM Cc1c(-c2cc(CSCc3ccc(C(=O)[O-])s3)on2)cnn1C ZINC001599969610 985982611 /nfs/dbraw/zinc/98/26/11/985982611.db2.gz MAHVAFBTYURWBN-UHFFFAOYSA-N -1 0 349.437 3.577 20 0 EHADRM Cc1c(Br)ccc(NCc2cccc(C(=O)[O-])n2)c1F ZINC001599970679 986001329 /nfs/dbraw/zinc/00/13/29/986001329.db2.gz AHESLXTXOKBJGF-UHFFFAOYSA-N -1 0 339.164 3.602 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2ncc(C(=O)[O-])c3ccccc32)cc1C ZINC001589279707 986005858 /nfs/dbraw/zinc/00/58/58/986005858.db2.gz WCFZRXXLOPYGNS-UHFFFAOYSA-N -1 0 348.358 3.696 20 0 EHADRM Cc1c(Br)cncc1N[C@H](C)CC(C)(C)CC(=O)[O-] ZINC001599974717 986070977 /nfs/dbraw/zinc/07/09/77/986070977.db2.gz YBEGOQHXKAFDDN-SECBINFHSA-N -1 0 329.238 3.844 20 0 EHADRM Cc1c2cccc(Cl)c2[nH]c1C(=O)N[C@@H](CC(=O)[O-])C1CCCC1 ZINC001599978728 986131442 /nfs/dbraw/zinc/13/14/42/986131442.db2.gz LLYDTPNPPTUSMF-AWEZNQCLSA-N -1 0 348.830 3.893 20 0 EHADRM CCOCc1ccc(NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001596966180 986174924 /nfs/dbraw/zinc/17/49/24/986174924.db2.gz PSKFXRLFGAZNFO-UHFFFAOYSA-N -1 0 332.331 3.704 20 0 EHADRM Cc1c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)ccn1C(C)C ZINC001599981921 986175027 /nfs/dbraw/zinc/17/50/27/986175027.db2.gz NNUVJUMEMCJJGI-INIZCTEOSA-N -1 0 348.830 3.977 20 0 EHADRM CCON(CCOc1ccc(/C=C/C(=O)[O-])cc1)Cc1ccccc1 ZINC001596968214 986181791 /nfs/dbraw/zinc/18/17/91/986181791.db2.gz FTEJBBPVNDFDMW-JLHYYAGUSA-N -1 0 341.407 3.617 20 0 EHADRM CCOc1cc(Br)c(F)cc1N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001596993436 986283706 /nfs/dbraw/zinc/28/37/06/986283706.db2.gz BATRCGWLXGTFGO-BDAKNGLRSA-N -1 0 346.196 3.652 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)Cc1cccc(F)c1 ZINC001597009987 986347510 /nfs/dbraw/zinc/34/75/10/986347510.db2.gz SYPVODUYBOBDSL-GFCCVEGCSA-N -1 0 345.370 3.740 20 0 EHADRM C[C@@H](C(=O)N1CCOc2c(C(=O)[O-])cccc21)c1cccc(Cl)c1 ZINC001589359915 986362743 /nfs/dbraw/zinc/36/27/43/986362743.db2.gz CUCKJTODNLYYMN-LLVKDONJSA-N -1 0 345.782 3.567 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@H]1C1CCCC1 ZINC001597017275 986392370 /nfs/dbraw/zinc/39/23/70/986392370.db2.gz XASBLJHFVXMWDQ-INIZCTEOSA-N -1 0 346.427 3.970 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@H]1CCCc2occc21 ZINC001597020743 986404694 /nfs/dbraw/zinc/40/46/94/986404694.db2.gz GIDZKNXITHESQI-ZDUSSCGKSA-N -1 0 344.367 3.576 20 0 EHADRM C[C@H](C(=O)N[C@@](C)(CC(=O)[O-])C1CC1)c1ccccc1C(F)(F)F ZINC001589382837 986469219 /nfs/dbraw/zinc/46/92/19/986469219.db2.gz XLUQSMYXIUJYTM-QFYYESIMSA-N -1 0 343.345 3.569 20 0 EHADRM CC(C(=O)N[C@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-])=C1CCCC1 ZINC001589386194 986484350 /nfs/dbraw/zinc/48/43/50/986484350.db2.gz ULTAJWSETRXWDP-PKOBYXMFSA-N -1 0 341.451 3.957 20 0 EHADRM C[C@@H](C(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1)c1cccc(Cl)c1 ZINC001589386816 986489748 /nfs/dbraw/zinc/48/97/48/986489748.db2.gz CATKLSQHBCTIPY-KZULUSFZSA-N -1 0 337.847 3.983 20 0 EHADRM C[C@H](C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1)c1ccccc1F ZINC001589401963 986576115 /nfs/dbraw/zinc/57/61/15/986576115.db2.gz ZKCLOXAFBZLJHT-XJKSGUPXSA-N -1 0 335.419 3.717 20 0 EHADRM C[C@H]1CSc2ccc(Cl)cc2N(C(=O)CCCC(=O)[O-])C1 ZINC001594612257 986606961 /nfs/dbraw/zinc/60/69/61/986606961.db2.gz HTOSSPSSZPWEFX-SNVBAGLBSA-N -1 0 327.833 3.670 20 0 EHADRM C[C@@H]1CSc2ccc(Cl)cc2N(C(=O)CCCC(=O)[O-])C1 ZINC001594612256 986607016 /nfs/dbraw/zinc/60/70/16/986607016.db2.gz HTOSSPSSZPWEFX-JTQLQIEISA-N -1 0 327.833 3.670 20 0 EHADRM C[C@@H]1CSc2ccccc2N(C(=O)c2ccc(C(=O)[O-])s2)C1 ZINC001594612430 986609115 /nfs/dbraw/zinc/60/91/15/986609115.db2.gz OKAKGRNLHHPKNK-JTQLQIEISA-N -1 0 333.434 3.835 20 0 EHADRM C[C@H]1CSc2ccccc2N(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C1 ZINC001594612449 986610320 /nfs/dbraw/zinc/61/03/20/986610320.db2.gz PCAOHVHKTFRFRE-HZSPNIEDSA-N -1 0 333.453 3.652 20 0 EHADRM CCOc1ccc(C=O)c(OCc2ccc(C3(C(=O)[O-])CC3)cc2)c1 ZINC001597082251 986633641 /nfs/dbraw/zinc/63/36/41/986633641.db2.gz CZOOQILEPLGHDO-UHFFFAOYSA-N -1 0 340.375 3.593 20 0 EHADRM C[C@@H](C(=O)Nc1cc(F)cc(C(=O)[O-])c1F)c1ccc(F)cc1F ZINC001589428521 986702652 /nfs/dbraw/zinc/70/26/52/986702652.db2.gz HSLASCNDNAARSB-SSDOTTSWSA-N -1 0 341.260 3.683 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(Br)c(C(=O)[O-])c1)C1CCCC1 ZINC001589431106 986724685 /nfs/dbraw/zinc/72/46/85/986724685.db2.gz DOFHHBRLSRBMHG-SECBINFHSA-N -1 0 340.217 3.912 20 0 EHADRM CCOc1ccc(COC(=O)c2ccc(C(=O)[O-])c(F)c2)c(C)c1 ZINC001597105453 986738000 /nfs/dbraw/zinc/73/80/00/986738000.db2.gz OMPTZEQSTRQZGL-UHFFFAOYSA-N -1 0 332.327 3.588 20 0 EHADRM CCOc1ccc(Cl)c(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)c1 ZINC001597107015 986752654 /nfs/dbraw/zinc/75/26/54/986752654.db2.gz XBFOAIXJADPFFD-YVMONPNESA-N -1 0 335.743 3.682 20 0 EHADRM CCOc1ccc(NC(=O)C2C[C@@H](C)C[C@H](C)C2)c(C(=O)[O-])c1F ZINC001597111930 986772149 /nfs/dbraw/zinc/77/21/49/986772149.db2.gz JZNMFIJKHNQJGB-QWRGUYRKSA-N -1 0 337.391 3.933 20 0 EHADRM CCOc1ccc(NC(=O)[C@@H]2CCC(C)=C(C)C2)c(C(=O)[O-])c1F ZINC001597112975 986784750 /nfs/dbraw/zinc/78/47/50/986784750.db2.gz PPIIHULSHWFWFK-GFCCVEGCSA-N -1 0 335.375 3.998 20 0 EHADRM C[C@@H](C(=O)Nc1cccnc1C(=O)[O-])c1c(Cl)cccc1Cl ZINC001589444708 986801490 /nfs/dbraw/zinc/80/14/90/986801490.db2.gz PMXRZTJPANWKSS-MRVPVSSYSA-N -1 0 339.178 3.829 20 0 EHADRM CCOc1ccc(NCc2ccc(O[C@@H](C)C(=O)[O-])cc2)c(F)c1 ZINC001597122571 986817656 /nfs/dbraw/zinc/81/76/56/986817656.db2.gz DAQKCLRBMLYYHX-LBPRGKRZSA-N -1 0 333.359 3.688 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)C[C@@]1(C)CC1(Cl)Cl)c1ccccc1 ZINC001589459222 986907707 /nfs/dbraw/zinc/90/77/07/986907707.db2.gz XSAJXZUTDOSJLX-XEGUGMAKSA-N -1 0 344.238 3.539 20 0 EHADRM CCOc1cccc(/C=C\C(=O)Nc2scc(C(=O)[O-])c2C)c1 ZINC001597149253 986916421 /nfs/dbraw/zinc/91/64/21/986916421.db2.gz CTANFQTVUJHYDQ-FPLPWBNLSA-N -1 0 331.393 3.805 20 0 EHADRM CCOc1cccc(/C=C\C(=O)N[C@@]2(C(=O)[O-])CCCC(C)(C)C2)c1 ZINC001597149380 986918965 /nfs/dbraw/zinc/91/89/65/986918965.db2.gz JLHHPIBHNJHGOL-QJRAZLAKSA-N -1 0 345.439 3.638 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cc2ccccc2cc1O)c1ccccc1 ZINC001589462805 986920885 /nfs/dbraw/zinc/92/08/85/986920885.db2.gz UXTZCGSSZIHUTI-ORAYPTAESA-N -1 0 349.386 3.737 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1coc2cc(F)ccc21)c1ccccc1 ZINC001589469390 986940443 /nfs/dbraw/zinc/94/04/43/986940443.db2.gz KVNSYRZGIDHRCI-GTNSWQLSSA-N -1 0 341.338 3.764 20 0 EHADRM CCOc1cccc(CN(CC(=O)[O-])[C@@H](CC)c2ccccc2)n1 ZINC001597154097 986941303 /nfs/dbraw/zinc/94/13/03/986941303.db2.gz XWIWWJVCCMSESB-KRWDZBQOSA-N -1 0 328.412 3.518 20 0 EHADRM C[C@H]1c2cc(F)cc(F)c2CCN1Cc1ccccc1OCC(=O)[O-] ZINC001594665701 986959800 /nfs/dbraw/zinc/95/98/00/986959800.db2.gz JQKRFFUFOZPTIN-LBPRGKRZSA-N -1 0 347.361 3.548 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)CCCCc1ccc(Cl)cc1)C1CCC1 ZINC001589472775 986969445 /nfs/dbraw/zinc/96/94/45/986969445.db2.gz UGHBFKCGWSIVTN-ZDUSSCGKSA-N -1 0 337.847 3.907 20 0 EHADRM CCOc1cccc(NC(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)c1 ZINC001597162128 986970850 /nfs/dbraw/zinc/97/08/50/986970850.db2.gz UYKDTSDFHCHUIC-UHFFFAOYSA-N -1 0 339.351 3.909 20 0 EHADRM C[C@H]1c2cccn2CCN1Cc1c(Br)cccc1C(=O)[O-] ZINC001594670596 986978817 /nfs/dbraw/zinc/97/88/17/986978817.db2.gz CWAMGTLKBHRPSZ-NSHDSACASA-N -1 0 349.228 3.526 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)c1ccc(Cl)c(C(F)(F)F)c1)C1CCC1 ZINC001589477488 986985453 /nfs/dbraw/zinc/98/54/53/986985453.db2.gz SASJFTAJROERMF-MRVPVSSYSA-N -1 0 349.736 3.827 20 0 EHADRM C/C=C/C[C@@H]1CCCN(C(=O)c2[nH]c(C)c(C(=O)[O-])c2CCC)C1 ZINC001594686018 987059634 /nfs/dbraw/zinc/05/96/34/987059634.db2.gz LCNKSZIWJCNLCQ-YVARQFDVSA-N -1 0 332.444 3.792 20 0 EHADRM C/C=C\COc1cccc(CC(=O)Nc2cccc(F)c2C(=O)[O-])c1 ZINC001594689600 987076196 /nfs/dbraw/zinc/07/61/96/987076196.db2.gz SSIKSLTWUMDCAA-IHWYPQMZSA-N -1 0 343.354 3.660 20 0 EHADRM CC/C(=C\C(=O)NCC1(CC(=O)[O-])CCCC1)c1ccc(C)cc1 ZINC001594690674 987082076 /nfs/dbraw/zinc/08/20/76/987082076.db2.gz HAEXMSNZOZQUPK-FOWTUZBSSA-N -1 0 329.440 3.940 20 0 EHADRM CC/C(=C\C(=O)N(C1CC1)C1(C(=O)[O-])CCC1)c1ccc(C)cc1 ZINC001594692170 987101399 /nfs/dbraw/zinc/10/13/99/987101399.db2.gz WEVNEEXWTBPJKQ-FYWRMAATSA-N -1 0 327.424 3.787 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@H]2Cc3ccc(Cl)cc32)cc1 ZINC001589502225 987103661 /nfs/dbraw/zinc/10/36/61/987103661.db2.gz CJROUKHOHAWERX-QFYYESIMSA-N -1 0 329.783 3.807 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)CNc2cccc(Cl)c2)cc1 ZINC001589505214 987119023 /nfs/dbraw/zinc/11/90/23/987119023.db2.gz RFHNYBRXDLLRLI-LLVKDONJSA-N -1 0 332.787 3.579 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2C[C@H](C3CC3)[C@H]2C2CC2)cc1 ZINC001589508393 987128025 /nfs/dbraw/zinc/12/80/25/987128025.db2.gz JCSOETZFYBYUNY-YMRXKLBXSA-N -1 0 328.412 3.527 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N[C@@H]2CCSC(C)(C)C2)cc1 ZINC001589512891 987153718 /nfs/dbraw/zinc/15/37/18/987153718.db2.gz NJPXFXSSFQOINO-BXUZGUMPSA-N -1 0 336.457 3.670 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2nccc3ccsc32)cc1 ZINC001589521908 987171205 /nfs/dbraw/zinc/17/12/05/987171205.db2.gz XAEFAYUCAPQVGF-JTQLQIEISA-N -1 0 326.377 3.737 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=S)NCCc2ccc(F)cc2)cc1 ZINC001589524195 987197580 /nfs/dbraw/zinc/19/75/80/987197580.db2.gz YALGQLDRQOOSBB-LBPRGKRZSA-N -1 0 346.427 3.543 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)COC/C=C/c2ccccc2)c1 ZINC001589533421 987226080 /nfs/dbraw/zinc/22/60/80/987226080.db2.gz OOZNODQLLYXJNN-PPYMECGQSA-N -1 0 339.391 3.543 20 0 EHADRM CC[C@@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cn1)C1CCC(C)CC1 ZINC001594725422 987231357 /nfs/dbraw/zinc/23/13/57/987231357.db2.gz WFOHZFFINFTQDE-MQBCKMQZSA-N -1 0 332.444 3.591 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NCc2ccncc2Br)c1 ZINC001589540128 987240140 /nfs/dbraw/zinc/24/01/40/987240140.db2.gz QDXIJLMWEIMKBG-SNVBAGLBSA-N -1 0 335.201 3.644 20 0 EHADRM CC[C@@H](C(=O)Nc1ccc(C)cc1C(=O)[O-])c1ccc(OC)cc1 ZINC001594735277 987267485 /nfs/dbraw/zinc/26/74/85/987267485.db2.gz KUSSVODTBWTBLD-OAHLLOKOSA-N -1 0 327.380 3.834 20 0 EHADRM C[C@@H](C(=O)OCc1ccsc1C(=O)[O-])c1cn(C)c2ccccc12 ZINC001589546861 987268830 /nfs/dbraw/zinc/26/88/30/987268830.db2.gz JLNDTZYLKADGAV-LLVKDONJSA-N -1 0 343.404 3.785 20 0 EHADRM CCSCCCNC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001597261388 987285592 /nfs/dbraw/zinc/28/55/92/987285592.db2.gz OZMHXMSXZYDSJA-UHFFFAOYSA-N -1 0 338.454 3.864 20 0 EHADRM C[C@H](C(=O)Oc1ccccc1C(=O)[O-])c1cccc(Br)c1 ZINC001589552431 987285837 /nfs/dbraw/zinc/28/58/37/987285837.db2.gz FPNKUHNIOVFQES-JTQLQIEISA-N -1 0 349.180 3.856 20 0 EHADRM CCSCc1ccccc1C(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC001597264909 987292902 /nfs/dbraw/zinc/29/29/02/987292902.db2.gz CMSBBCBTELBCOS-MRXNPFEDSA-N -1 0 335.469 3.703 20 0 EHADRM CCSCc1ccc(NC(=O)c2cccc(OCC(=O)[O-])c2)cc1 ZINC001597265290 987296030 /nfs/dbraw/zinc/29/60/30/987296030.db2.gz NOEAVYJUCSVRRD-UHFFFAOYSA-N -1 0 345.420 3.655 20 0 EHADRM CCSc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2Cl)cn1 ZINC001597271026 987316332 /nfs/dbraw/zinc/31/63/32/987316332.db2.gz QOZFOUJCGFCRGE-UHFFFAOYSA-N -1 0 336.800 3.798 20 0 EHADRM CCSc1ccc(CC(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001597272535 987322495 /nfs/dbraw/zinc/32/24/95/987322495.db2.gz JYUDAHSUZMCWDQ-KRWDZBQOSA-N -1 0 348.395 3.849 20 0 EHADRM CC(C)(C(=O)NCc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1F ZINC001589572009 987343474 /nfs/dbraw/zinc/34/34/74/987343474.db2.gz IZGYKFLCYBDUQK-UHFFFAOYSA-N -1 0 349.789 3.771 20 0 EHADRM CCSc1ccccc1CC(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001597279832 987345301 /nfs/dbraw/zinc/34/53/01/987345301.db2.gz PKJAHUVKJWMGGL-UHFFFAOYSA-N -1 0 347.411 3.746 20 0 EHADRM CCSc1cccnc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001597280297 987352615 /nfs/dbraw/zinc/35/26/15/987352615.db2.gz YYYWWHSUFRZTOF-UHFFFAOYSA-N -1 0 334.372 3.592 20 0 EHADRM CC[C@@H](NC(=O)NCc1ccc(C(=O)[O-])cc1F)c1ccccc1F ZINC001597286224 987366974 /nfs/dbraw/zinc/36/69/74/987366974.db2.gz RBFXEMNCMXSGTF-MRXNPFEDSA-N -1 0 348.349 3.614 20 0 EHADRM CC[C@@H](NC(=O)Nc1cccc(C(=O)[O-])c1OC)c1ccc(F)cc1 ZINC001597288347 987370019 /nfs/dbraw/zinc/37/00/19/987370019.db2.gz DZBQYHRYSYDNIF-CQSZACIVSA-N -1 0 346.358 3.805 20 0 EHADRM CC[C@@H](NC(=O)Nc1cnc(C)c(C(=O)[O-])c1)c1ccccc1F ZINC001597288747 987373332 /nfs/dbraw/zinc/37/33/32/987373332.db2.gz PTIPDBFYSONUPK-OAHLLOKOSA-N -1 0 331.347 3.500 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)N1CC=CC12CCCC2)c1ccccc1 ZINC001589591997 987399917 /nfs/dbraw/zinc/39/99/17/987399917.db2.gz PNOVIZOOKPCDBH-INIZCTEOSA-N -1 0 342.439 3.733 20 0 EHADRM CC[C@@H]1C[C@H]1C(=O)Nc1cc(Br)cc(C(=O)[O-])c1Cl ZINC001597299589 987403563 /nfs/dbraw/zinc/40/35/63/987403563.db2.gz FTBOOCFTWZPSQY-HTRCEHHLSA-N -1 0 346.608 3.785 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)N1CC[C@H]1C1CCCC1)c1ccccc1 ZINC001589592813 987404056 /nfs/dbraw/zinc/40/40/56/987404056.db2.gz CLCXRODZHCCOJN-IRXDYDNUSA-N -1 0 344.455 3.813 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)CC(C1CC1)C1CC1)c1ccccc1 ZINC001589593094 987406061 /nfs/dbraw/zinc/40/60/61/987406061.db2.gz ZMGPJWLYPMMOFN-GOSISDBHSA-N -1 0 329.440 3.781 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2ccccc2C(F)F)C1 ZINC001589611976 987471106 /nfs/dbraw/zinc/47/11/06/987471106.db2.gz MIXVHNYNCQQWLC-NSHDSACASA-N -1 0 325.355 3.587 20 0 EHADRM CCc1[nH]c(C(=O)N(C)[C@H](C)c2ccccc2F)c(C)c1C(=O)[O-] ZINC001597354940 987499142 /nfs/dbraw/zinc/49/91/42/987499142.db2.gz SPKAZKJTKARNAK-LLVKDONJSA-N -1 0 332.375 3.556 20 0 EHADRM CC[C@H]1CC[C@H](C(=O)N[C@](C)(CC(=O)[O-])c2cccc(OC)c2)CC1 ZINC001597355932 987504627 /nfs/dbraw/zinc/50/46/27/987504627.db2.gz OCIKECBNBDVIRN-STXHMFSFSA-N -1 0 347.455 3.718 20 0 EHADRM CCc1[nH]c(C(=O)N(CC)[C@@H](C)Cc2ccsc2)c(C)c1C(=O)[O-] ZINC001597357638 987508215 /nfs/dbraw/zinc/50/82/15/987508215.db2.gz FHCZEDYRYDWFIZ-NSHDSACASA-N -1 0 348.468 3.739 20 0 EHADRM CCc1[nH]c(C(=O)N(Cc2ccccc2F)C2CC2)c(C)c1C(=O)[O-] ZINC001597357716 987508979 /nfs/dbraw/zinc/50/89/79/987508979.db2.gz HVRQUOLYSGOXLI-UHFFFAOYSA-N -1 0 344.386 3.528 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)CC(F)(F)C(F)(F)F)cc1 ZINC001589634042 987548417 /nfs/dbraw/zinc/54/84/17/987548417.db2.gz OZUBGKXFXLIUSH-UHFFFAOYSA-N -1 0 339.260 3.575 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC001589637907 987558031 /nfs/dbraw/zinc/55/80/31/987558031.db2.gz OTYAXLRNOWREKZ-WWGRRREGSA-N -1 0 330.428 3.607 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(Nc2nc(C3CCOCC3)ns2)cc1 ZINC001589641505 987564510 /nfs/dbraw/zinc/56/45/10/987564510.db2.gz SEVBCWAUIPVYOV-UHFFFAOYSA-N -1 0 347.440 3.538 20 0 EHADRM CCc1[nH]c(C(=O)Nc2c(OC)cccc2SC)c(C)c1C(=O)[O-] ZINC001597383574 987584672 /nfs/dbraw/zinc/58/46/72/987584672.db2.gz CONNUASJRLHPKT-UHFFFAOYSA-N -1 0 348.424 3.567 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)[C@@H]2Cc3ccccc3S2)c1 ZINC001589650611 987599181 /nfs/dbraw/zinc/59/91/81/987599181.db2.gz LSSBRLCMSNIEKL-INIZCTEOSA-N -1 0 342.416 3.671 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(NC(=O)c2coc3ccccc23)n1 ZINC001589657188 987628485 /nfs/dbraw/zinc/62/84/85/987628485.db2.gz SEPPOLVYSAJUTG-UHFFFAOYSA-N -1 0 330.365 3.504 20 0 EHADRM CC(C)(C(=O)OC1CCC(C(=O)[O-])CC1)c1cccc(Cl)c1F ZINC001589680797 987706487 /nfs/dbraw/zinc/70/64/87/987706487.db2.gz LYGIWKFQQHKJEB-UHFFFAOYSA-N -1 0 342.794 3.943 20 0 EHADRM CCc1cc(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)sc1-c1ccccc1 ZINC001597427523 987758892 /nfs/dbraw/zinc/75/88/92/987758892.db2.gz IVJZZUPDBVATSI-LJQANCHMSA-N -1 0 343.448 3.961 20 0 EHADRM CC(C)(C)C(C)(C)C(=O)OCC(=O)c1c[nH]c2ccc(C(=O)[O-])cc12 ZINC001589698608 987781743 /nfs/dbraw/zinc/78/17/43/987781743.db2.gz DXLVPUCGJOGFHZ-UHFFFAOYSA-N -1 0 345.395 3.664 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)Cc2cccc(OC(C)C)c2)s1 ZINC001597440290 987798450 /nfs/dbraw/zinc/79/84/50/987798450.db2.gz COMAMCQRVQJORI-UHFFFAOYSA-N -1 0 347.436 3.977 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC001589702431 987799220 /nfs/dbraw/zinc/79/92/20/987799220.db2.gz GSTCXRIANDUQIS-CQSZACIVSA-N -1 0 345.399 3.716 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)N2CC=C(C(F)(F)F)CC2)s1 ZINC001597442818 987806580 /nfs/dbraw/zinc/80/65/80/987806580.db2.gz FHMHGCXQHBYRJF-UHFFFAOYSA-N -1 0 348.346 3.735 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2ccnn2C(CC)CC)s1 ZINC001597445553 987817267 /nfs/dbraw/zinc/81/72/67/987817267.db2.gz NZHQXXAGSGHEIY-UHFFFAOYSA-N -1 0 335.429 3.819 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)c1nc2ccccc2cc1C1CC1 ZINC001589705684 987820879 /nfs/dbraw/zinc/82/08/79/987820879.db2.gz KPBKYSRAJLBNEI-MRXNPFEDSA-N -1 0 340.423 3.731 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1C[C@]1(F)c1ccccc1 ZINC001597450318 987839675 /nfs/dbraw/zinc/83/96/75/987839675.db2.gz VXDOLWJSFBCOQM-KXBFYZLASA-N -1 0 327.355 3.771 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)COc1cc(C)ccc1C ZINC001597451499 987842575 /nfs/dbraw/zinc/84/25/75/987842575.db2.gz DGXYVISTOGAQFQ-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N(C)OCc1ccccc1 ZINC001597453560 987855248 /nfs/dbraw/zinc/85/52/48/987855248.db2.gz RDOKSNHIYHGSLO-UHFFFAOYSA-N -1 0 328.368 3.543 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@@H]1c1ccccn1 ZINC001597454051 987858495 /nfs/dbraw/zinc/85/84/95/987858495.db2.gz XSEGKZNSVUQXSC-QGZVFWFLSA-N -1 0 339.395 3.711 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)Nc1ccc(C(=O)[O-])nc1)c1cccc(F)c1 ZINC001589717300 987865617 /nfs/dbraw/zinc/86/56/17/987865617.db2.gz XSFCTXNWQGIRLP-HNNXBMFYSA-N -1 0 345.374 3.828 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccn1)c1ccccc1 ZINC001589717312 987866816 /nfs/dbraw/zinc/86/68/16/987866816.db2.gz YHXZJKOAVSCYPL-HNNXBMFYSA-N -1 0 327.384 3.689 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1CCO[C@H](CC(C)C)C1 ZINC001597456930 987867565 /nfs/dbraw/zinc/86/75/65/987867565.db2.gz FGTXOBGEHPOPCM-HZPDHXFCSA-N -1 0 348.443 3.662 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H](C(C)C)C(F)(F)F ZINC001597463694 987893744 /nfs/dbraw/zinc/89/37/44/987893744.db2.gz BQZMGOGVPGJFLQ-LBPRGKRZSA-N -1 0 332.322 3.656 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)Nc1ccn(CCC(C)C)n1 ZINC001597465074 987902073 /nfs/dbraw/zinc/90/20/73/987902073.db2.gz QIUQGUHMKVEVTI-UHFFFAOYSA-N -1 0 344.415 3.834 20 0 EHADRM CC(C)(C)C1CC(C(=O)Nc2sc3c(c2C(=O)[O-])CCOC3)C1 ZINC001589726550 987910740 /nfs/dbraw/zinc/91/07/40/987910740.db2.gz JRRPTDNXYQAFRC-UHFFFAOYSA-N -1 0 337.441 3.530 20 0 EHADRM CSC1CCC(CNC(=O)Nc2cc(C(=O)[O-])ccc2C)CC1 ZINC001599786605 987932457 /nfs/dbraw/zinc/93/24/57/987932457.db2.gz OIVYDDFMARQMRB-UHFFFAOYSA-N -1 0 336.457 3.737 20 0 EHADRM CS[C@H](CNC(=O)Nc1cc(C(=O)[O-])sc1C)C(C)(C)C ZINC001599787497 987948859 /nfs/dbraw/zinc/94/88/59/987948859.db2.gz RIUMSWPCZXBIRY-LLVKDONJSA-N -1 0 330.475 3.654 20 0 EHADRM CC(C)(C)/C=C/C(=O)N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001589738817 988006887 /nfs/dbraw/zinc/00/68/87/988006887.db2.gz WTDAAEINDJQHKZ-GWJCSSMESA-N -1 0 329.318 3.550 20 0 EHADRM CCc1cc2c(ncnc2NC[C@H](CC2CCCC2)C(=O)[O-])s1 ZINC001597489566 988011535 /nfs/dbraw/zinc/01/15/35/988011535.db2.gz LOPQJKFPRYNUFU-LBPRGKRZSA-N -1 0 333.457 3.947 20 0 EHADRM CCc1ccc(-c2cc(C(=O)N[C@H](C[C@@H](C)CC)C(=O)[O-])no2)cc1 ZINC001597489972 988015358 /nfs/dbraw/zinc/01/53/58/988015358.db2.gz WTAQJRQMKOOTQW-BLLLJJGKSA-N -1 0 344.411 3.523 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])o2)cc1 ZINC001597492034 988023608 /nfs/dbraw/zinc/02/36/08/988023608.db2.gz IWLUXZACGLQIMM-MRXNPFEDSA-N -1 0 343.423 3.986 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)NCc1cc(C(=O)[O-])co1)c1ccccc1 ZINC001589745199 988034663 /nfs/dbraw/zinc/03/46/63/988034663.db2.gz AOKORNDOSFCECO-INIZCTEOSA-N -1 0 344.411 3.955 20 0 EHADRM CCc1ccc(Br)c(N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@H]23)c1 ZINC001597494880 988039454 /nfs/dbraw/zinc/03/94/54/988039454.db2.gz KAZVXKXFRPULOA-KZVDOYCCSA-N -1 0 338.245 3.923 20 0 EHADRM CC(C)(C)C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)[O-] ZINC001589761603 988089478 /nfs/dbraw/zinc/08/94/78/988089478.db2.gz DEFORJYBMKSQJU-LLVKDONJSA-N -1 0 340.832 3.970 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N[C@]2(C(=O)[O-])CCCC(C)(C)C2)cc1 ZINC001597511538 988091525 /nfs/dbraw/zinc/09/15/25/988091525.db2.gz BVPHTXRYAQYGTG-VBKZILBWSA-N -1 0 331.456 3.892 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])cc1 ZINC001597511809 988093475 /nfs/dbraw/zinc/09/34/75/988093475.db2.gz IQQRSWBWRXPGNG-RDTXWAMCSA-N -1 0 331.456 3.750 20 0 EHADRM CSCCCCCCC(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001599797209 988117028 /nfs/dbraw/zinc/11/70/28/988117028.db2.gz CZQOSPIJEOASIW-UHFFFAOYSA-N -1 0 330.837 3.685 20 0 EHADRM CC(C)(C)CCCCNC(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001589771977 988127622 /nfs/dbraw/zinc/12/76/22/988127622.db2.gz RMGSWDAFLTYANS-UHFFFAOYSA-N -1 0 330.428 3.741 20 0 EHADRM CC(C)(C(=O)[N-]OCc1nc(C(F)(F)F)cs1)c1ccccc1 ZINC000154313713 1015364058 /nfs/dbraw/zinc/36/40/58/1015364058.db2.gz HMZIHPHKFVMZFZ-UHFFFAOYSA-N -1 0 344.358 3.688 20 0 EHADRM CC(C)(C)CCN(CCc1ccccc1)C(=O)NCCCCC(=O)[O-] ZINC001589774433 988134121 /nfs/dbraw/zinc/13/41/21/988134121.db2.gz MOPSNMBJSWZGFN-UHFFFAOYSA-N -1 0 348.487 3.932 20 0 EHADRM CC(C)(C)CCNC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001589776927 988140254 /nfs/dbraw/zinc/14/02/54/988140254.db2.gz LOLMVZQRXLHMLU-UHFFFAOYSA-N -1 0 333.432 3.543 20 0 EHADRM CCc1ccc(CNC(=O)NCCCCC2(C(=O)[O-])CCC2)s1 ZINC001597527492 988176002 /nfs/dbraw/zinc/17/60/02/988176002.db2.gz NVPYNUDNKQQJSK-UHFFFAOYSA-N -1 0 338.473 3.535 20 0 EHADRM CC(C)(C)N(CC(=O)Nc1ccc(C(=O)[O-])cc1)Cc1ccsc1 ZINC001589792494 988180026 /nfs/dbraw/zinc/18/00/26/988180026.db2.gz HNEJHTOMSYKJII-UHFFFAOYSA-N -1 0 346.452 3.686 20 0 EHADRM CCc1ccc(NC(=O)/C=C(\C)c2cccc(OC)c2)c(C(=O)[O-])c1 ZINC001597542679 988232613 /nfs/dbraw/zinc/23/26/13/988232613.db2.gz GUACNWVUFSCDEF-JLHYYAGUSA-N -1 0 339.391 3.998 20 0 EHADRM CCc1ccc(NC(=O)C(F)(F)c2ccc(F)cc2)c(C(=O)[O-])c1 ZINC001597543166 988238659 /nfs/dbraw/zinc/23/86/59/988238659.db2.gz VRQMCILZPHDOGQ-UHFFFAOYSA-N -1 0 337.297 3.817 20 0 EHADRM CCc1ccc(NC(=O)NC(C)(C)c2nocc2C(=O)[O-])cc1CC ZINC001597548017 988262472 /nfs/dbraw/zinc/26/24/72/988262472.db2.gz RGRAKLGOBGSZQJ-UHFFFAOYSA-N -1 0 345.399 3.554 20 0 EHADRM CCc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)O3)c(C(=O)[O-])c1 ZINC001597550499 988268096 /nfs/dbraw/zinc/26/80/96/988268096.db2.gz GAXSAYVFUPQRPY-LLVKDONJSA-N -1 0 325.364 3.523 20 0 EHADRM CCc1ccc(NC(=O)c2cnc(CC3CC3)s2)c(C(=O)[O-])c1 ZINC001597550502 988268112 /nfs/dbraw/zinc/26/81/12/988268112.db2.gz GCIFNRBXQSYFAW-UHFFFAOYSA-N -1 0 330.409 3.609 20 0 EHADRM CCc1ccc([C@@H](C)NC(=O)NCc2ccc(C(=O)[O-])cc2F)cc1 ZINC001597562794 988310198 /nfs/dbraw/zinc/31/01/98/988310198.db2.gz QMFVBWWZRCRZOM-GFCCVEGCSA-N -1 0 344.386 3.647 20 0 EHADRM CCc1ccc([C@H](C)NC(=O)NCc2ccc(C(=O)[O-])s2)cc1 ZINC001597563264 988312818 /nfs/dbraw/zinc/31/28/18/988312818.db2.gz DXZHRLUUWNNOFR-NSHDSACASA-N -1 0 332.425 3.569 20 0 EHADRM CCc1ccc([C@H](C)NC(=O)Nc2cnc(C)c(C(=O)[O-])c2)cc1 ZINC001597563208 988313213 /nfs/dbraw/zinc/31/32/13/988313213.db2.gz AGBHIMJZLDVEFA-NSHDSACASA-N -1 0 327.384 3.533 20 0 EHADRM CSc1ccc(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)cc1 ZINC001599810316 988322364 /nfs/dbraw/zinc/32/23/64/988322364.db2.gz PYHDCGCFXYJQPH-UHFFFAOYSA-N -1 0 326.377 3.840 20 0 EHADRM CSc1ccc(NC(=O)[C@H]2CCC(=O)[C@@H](C)C2(C)C)cc1C(=O)[O-] ZINC001599816080 988426771 /nfs/dbraw/zinc/42/67/71/988426771.db2.gz PMHWCPXNPHFNLD-ZWNOBZJWSA-N -1 0 349.452 3.687 20 0 EHADRM CSc1ccc(NC(=O)N2CCC[C@@H]3CCC[C@H]32)cc1C(=O)[O-] ZINC001599816334 988430745 /nfs/dbraw/zinc/43/07/45/988430745.db2.gz DDICKUPGLDUKQF-SMDDNHRTSA-N -1 0 334.441 3.903 20 0 EHADRM CCc1cccc2c1N(CCOc1ccccc1C(=O)[O-])CCC2 ZINC001597603174 988460645 /nfs/dbraw/zinc/46/06/45/988460645.db2.gz KFRONDYSAZKCEH-UHFFFAOYSA-N -1 0 325.408 3.779 20 0 EHADRM CSc1ccc([C@@H](C)NC(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC001599820852 988511018 /nfs/dbraw/zinc/51/10/18/988511018.db2.gz BRXKDSONZNLHPA-GFCCVEGCSA-N -1 0 329.421 3.527 20 0 EHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC001597621326 988546508 /nfs/dbraw/zinc/54/65/08/988546508.db2.gz JXIIIOPMEIRLIL-ZWKOTPCHSA-N -1 0 329.440 3.598 20 0 EHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)OCc1nc(C)c(C(=O)[O-])s1 ZINC001597621413 988548100 /nfs/dbraw/zinc/54/81/00/988548100.db2.gz MDEGOGWQHOTIAK-UONOGXRCSA-N -1 0 345.420 3.559 20 0 EHADRM CSc1ccccc1C(=O)Nc1ncc(C(=O)[O-])c2ccccc12 ZINC001599823544 988556273 /nfs/dbraw/zinc/55/62/73/988556273.db2.gz WJMAKELWDXXQAP-UHFFFAOYSA-N -1 0 338.388 3.907 20 0 EHADRM CSc1cccc(F)c1C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001599823971 988563865 /nfs/dbraw/zinc/56/38/65/988563865.db2.gz MHFMAJVQMXWYMT-UHFFFAOYSA-N -1 0 339.432 3.703 20 0 EHADRM CSc1ccsc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001599826817 988610417 /nfs/dbraw/zinc/61/04/17/988610417.db2.gz YVVISMIEFLVMKA-UHFFFAOYSA-N -1 0 325.386 3.868 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)Nc1cccc(Oc2ccccc2F)c1 ZINC001599832289 988691915 /nfs/dbraw/zinc/69/19/15/988691915.db2.gz DRUPCMKVJSLQPF-NSHDSACASA-N -1 0 332.331 3.603 20 0 EHADRM CCc1nc(C(C)C)ccc1COC(=O)c1ccc(C(=O)[O-])cc1 ZINC001597652244 988698081 /nfs/dbraw/zinc/69/80/81/988698081.db2.gz MNWMSDAJMRJTDX-UHFFFAOYSA-N -1 0 327.380 3.823 20 0 EHADRM CCc1nc([C@@H](C)N[C@H](C)c2ccccc2OCC(=O)[O-])cs1 ZINC001597657138 988714834 /nfs/dbraw/zinc/71/48/34/988714834.db2.gz XCVLDNMTIGIBJH-VXGBXAGGSA-N -1 0 334.441 3.581 20 0 EHADRM CCc1nc(CC(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)cs1 ZINC001597662888 988738504 /nfs/dbraw/zinc/73/85/04/988738504.db2.gz OTRDCIVMUWJQFQ-UHFFFAOYSA-N -1 0 340.404 3.738 20 0 EHADRM C[C@@H](Cc1ccccc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001599837966 988775063 /nfs/dbraw/zinc/77/50/63/988775063.db2.gz XXXQPSJINVXLEA-JTQLQIEISA-N -1 0 335.762 3.995 20 0 EHADRM CCc1nc(NC(=O)[C@@H]2CCC[C@H]2c2ccccc2)sc1C(=O)[O-] ZINC001597676619 988792364 /nfs/dbraw/zinc/79/23/64/988792364.db2.gz YGFMPTBQKRXWSN-QWHCGFSZSA-N -1 0 344.436 3.926 20 0 EHADRM C[C@@H](NC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21)C1CCCC1 ZINC001599839956 988809215 /nfs/dbraw/zinc/80/92/15/988809215.db2.gz NXROMBYUEZSVOV-DYVFJYSZSA-N -1 0 344.455 3.683 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN1CCc2sc(Cl)cc2C1 ZINC001597766354 989212874 /nfs/dbraw/zinc/21/28/74/989212874.db2.gz OAPNPIOIOVPKFB-UHFFFAOYSA-N -1 0 325.817 3.813 20 0 EHADRM CCc1oc(CN(C)Cc2cc(F)c(F)c(F)c2)cc1C(=O)[O-] ZINC001597793251 989343583 /nfs/dbraw/zinc/34/35/83/989343583.db2.gz YABUENXNLYXIBW-UHFFFAOYSA-N -1 0 327.302 3.590 20 0 EHADRM CCc1sc(C(=O)NC[C@](CC)(C(=O)[O-])c2ccccc2)cc1C ZINC001597818575 989455172 /nfs/dbraw/zinc/45/51/72/989455172.db2.gz WKNXSHMDKAZFQA-IBGZPJMESA-N -1 0 345.464 3.781 20 0 EHADRM CCn1c2ccccc2nc1[C@@H](C)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001597841163 989540744 /nfs/dbraw/zinc/54/07/44/989540744.db2.gz YDDUGTFECGVFBM-MNOVXSKESA-N -1 0 344.440 3.623 20 0 EHADRM CCn1c2ccc(F)cc2nc1NCc1ccc(C(=O)[O-])cc1F ZINC001597860638 989636466 /nfs/dbraw/zinc/63/64/66/989636466.db2.gz ZGTASPNJCSUBNT-UHFFFAOYSA-N -1 0 331.322 3.645 20 0 EHADRM CCn1cc(Cl)cc1C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001597895536 989758144 /nfs/dbraw/zinc/75/81/44/989758144.db2.gz OBNOUNYGAXNMSY-LLVKDONJSA-N -1 0 334.803 3.677 20 0 EHADRM CCn1cc(N(Cc2ccc(C(=O)[O-])c(Cl)c2)CC(C)C)cn1 ZINC001597895777 989760300 /nfs/dbraw/zinc/76/03/00/989760300.db2.gz WTZUFINKEUAXJC-UHFFFAOYSA-N -1 0 335.835 3.917 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)Nc2cnc(C(=O)[O-])c(Cl)c2)cc1 ZINC001590410730 989952822 /nfs/dbraw/zinc/95/28/22/989952822.db2.gz ZMAYQSGNDQESTD-UHFFFAOYSA-N -1 0 348.786 3.863 20 0 EHADRM CC(C)(C)c1cc(C(=O)N2CCCCc3cc(C(=O)[O-])ccc32)no1 ZINC001590454370 990022299 /nfs/dbraw/zinc/02/22/99/990022299.db2.gz WEUOWMJBFJEXGN-UHFFFAOYSA-N -1 0 342.395 3.653 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])cc1Cl ZINC001590472872 990046462 /nfs/dbraw/zinc/04/64/62/990046462.db2.gz ZXMREEZJFRCYLH-XIKOKIGWSA-N -1 0 335.831 3.717 20 0 EHADRM CC(C)(C)c1ccc(C(=O)NCc2cc(C(=O)[O-])co2)cc1Cl ZINC001590474945 990047444 /nfs/dbraw/zinc/04/74/44/990047444.db2.gz BMKZNDCETDVKOK-UHFFFAOYSA-N -1 0 335.787 3.859 20 0 EHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(N)c2)cc1 ZINC001590479792 990055760 /nfs/dbraw/zinc/05/57/60/990055760.db2.gz GJNPEYPUKQRLDW-QGZVFWFLSA-N -1 0 340.423 3.512 20 0 EHADRM CC(C)(C)c1ccc(O)c(NC(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC001590494314 990100598 /nfs/dbraw/zinc/10/05/98/990100598.db2.gz YYDFETNQEWZTNB-UHFFFAOYSA-N -1 0 331.343 3.779 20 0 EHADRM CN(C(=O)CC(C)(C)CC(=O)[O-])c1ccc(-c2nccs2)cc1 ZINC001598007276 990165775 /nfs/dbraw/zinc/16/57/75/990165775.db2.gz HIRHAQMGVWGQPY-UHFFFAOYSA-N -1 0 332.425 3.664 20 0 EHADRM CN(C(=O)CC(F)(F)F)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598008000 990169772 /nfs/dbraw/zinc/16/97/72/990169772.db2.gz QVGDAVKQCRWDDO-SNVBAGLBSA-N -1 0 344.116 3.530 20 0 EHADRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C[C@H]1CCCCC1(C)C ZINC000154558159 1015551199 /nfs/dbraw/zinc/55/11/99/1015551199.db2.gz WGRZDKMPECDNBB-GFCCVEGCSA-N -1 0 347.484 3.550 20 0 EHADRM CN(C(=O)CSCc1ccccc1Cl)c1ccccc1C(=O)[O-] ZINC001598033446 990255815 /nfs/dbraw/zinc/25/58/15/990255815.db2.gz SFKFCYBGJXFNTE-UHFFFAOYSA-N -1 0 349.839 3.934 20 0 EHADRM CN(C(=O)Cc1cc(Cl)cc2ccccc21)C1(C(=O)[O-])CCCC1 ZINC001598034708 990260436 /nfs/dbraw/zinc/26/04/36/990260436.db2.gz VJLMYNXJXCYOOS-UHFFFAOYSA-N -1 0 345.826 3.892 20 0 EHADRM CC(C)(CCNC(=O)Cc1ccc(C2CCCCC2)cc1)C(=O)[O-] ZINC001590675646 990385176 /nfs/dbraw/zinc/38/51/76/990385176.db2.gz LEMRAMAZLLSRNY-UHFFFAOYSA-N -1 0 331.456 3.894 20 0 EHADRM CN(C(=O)c1ccn(C)c1-c1ccccc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598093336 990439366 /nfs/dbraw/zinc/43/93/66/990439366.db2.gz AGOUNEOSCGAAQX-LJQANCHMSA-N -1 0 348.402 3.590 20 0 EHADRM CC(C)(CNC(=O)C(C)(C)c1ccc(Cl)c(Cl)c1)CC(=O)[O-] ZINC001590705456 990443516 /nfs/dbraw/zinc/44/35/16/990443516.db2.gz CXAVXPYVHZBXAV-UHFFFAOYSA-N -1 0 346.254 3.888 20 0 EHADRM CC(C)(CNC(=O)C(C)(C)Cc1cccc(Cl)c1)CC(=O)[O-] ZINC001590705545 990444299 /nfs/dbraw/zinc/44/42/99/990444299.db2.gz GTDXKBPSVDCXJR-UHFFFAOYSA-N -1 0 325.836 3.526 20 0 EHADRM CC(C)(CNC(=O)Cc1ccc(C(=O)[O-])cc1)c1ccccc1Cl ZINC001590713401 990467314 /nfs/dbraw/zinc/46/73/14/990467314.db2.gz BHHANGXDYRKPLA-UHFFFAOYSA-N -1 0 345.826 3.675 20 0 EHADRM CC(C)(CNC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)C1=CCCCC1 ZINC001590723971 990508750 /nfs/dbraw/zinc/50/87/50/990508750.db2.gz NCNUREQJIUOWSA-UHFFFAOYSA-N -1 0 342.439 3.937 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(-c2ccccc2)cc1)CC(=O)[O-] ZINC001590734331 990528064 /nfs/dbraw/zinc/52/80/64/990528064.db2.gz MIRCDFGGCXGYPN-UHFFFAOYSA-N -1 0 326.396 3.976 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(OC2CCCC2)cc1)CC(=O)[O-] ZINC001590734307 990528336 /nfs/dbraw/zinc/52/83/36/990528336.db2.gz LFYBUNGVVFJABA-UHFFFAOYSA-N -1 0 334.416 3.630 20 0 EHADRM CC(C)(CNC(=O)c1cc(F)cc(C(=O)[O-])c1)Cc1ccccc1 ZINC001590746993 990545028 /nfs/dbraw/zinc/54/50/28/990545028.db2.gz LXQAAKIKIVQUFO-UHFFFAOYSA-N -1 0 329.371 3.523 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001590821999 990661348 /nfs/dbraw/zinc/66/13/48/990661348.db2.gz OLKODGZSCVVWSS-KRWDZBQOSA-N -1 0 331.456 3.653 20 0 EHADRM CC(C)(NC(=O)Nc1ccc(C(=O)[O-])s1)c1ccc(F)cc1F ZINC001590855620 990740901 /nfs/dbraw/zinc/74/09/01/990740901.db2.gz GMHKUFFWTXLDSU-UHFFFAOYSA-N -1 0 340.351 3.781 20 0 EHADRM CC(C)(O)CCSCc1c(Br)cccc1C(=O)[O-] ZINC001590898795 990849245 /nfs/dbraw/zinc/84/92/45/990849245.db2.gz WJZGNEYOMCXRGS-UHFFFAOYSA-N -1 0 333.247 3.542 20 0 EHADRM CC(C)=CCC[C@H](C)CC(=O)N(CCC(=O)[O-])Cc1ccncc1 ZINC001590914976 990900971 /nfs/dbraw/zinc/90/09/71/990900971.db2.gz NAWKELOSPHCMDB-INIZCTEOSA-N -1 0 332.444 3.658 20 0 EHADRM CC(C)=CCC[C@@H](C)CC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001590922480 990920196 /nfs/dbraw/zinc/92/01/96/990920196.db2.gz ZZYPNSOUQNDUHZ-GFCCVEGCSA-N -1 0 329.400 3.972 20 0 EHADRM CC(C)=CCC[C@H](C)CC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001590922481 990920233 /nfs/dbraw/zinc/92/02/33/990920233.db2.gz ZZYPNSOUQNDUHZ-LBPRGKRZSA-N -1 0 329.400 3.972 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)Nc1cc(C(=O)[O-])sc1C ZINC001599696704 991159027 /nfs/dbraw/zinc/15/90/27/991159027.db2.gz DCFOXFLUIMOQER-NTMALXAHSA-N -1 0 331.393 3.805 20 0 EHADRM COc1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1Cl ZINC001599697463 991169653 /nfs/dbraw/zinc/16/96/53/991169653.db2.gz YPTIPTDOYUEKGK-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)C[C@H]1CCCCC1(C)C ZINC001598291788 991200974 /nfs/dbraw/zinc/20/09/74/991200974.db2.gz AAXAOAGUPWOUDE-CQSZACIVSA-N -1 0 332.444 3.996 20 0 EHADRM CC(C)[C@@H](NC(=O)NCC(C)(C)CC(=O)[O-])c1ccc(Cl)cc1 ZINC001591012887 991278593 /nfs/dbraw/zinc/27/85/93/991278593.db2.gz BVDILRRKYGRFLG-OAHLLOKOSA-N -1 0 340.851 3.837 20 0 EHADRM CC(C)[C@@H](NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC001591018824 991298601 /nfs/dbraw/zinc/29/86/01/991298601.db2.gz JFAOGRNYJJMSOT-MBNYWOFBSA-N -1 0 343.345 3.630 20 0 EHADRM CC(C)[C@@H](NC(=O)c1ccc(C(=O)[O-])[nH]1)c1ccc(Cl)cc1F ZINC001591019041 991300613 /nfs/dbraw/zinc/30/06/13/991300613.db2.gz OXOAPWFWAKHXGV-CQSZACIVSA-N -1 0 338.766 3.633 20 0 EHADRM CC(C)[C@@H](Sc1ccc(C(=O)[O-])cc1)C(=O)NC1CCCCC1 ZINC001591053075 991463188 /nfs/dbraw/zinc/46/31/88/991463188.db2.gz ZYVPZLYNDZFAHL-MRXNPFEDSA-N -1 0 335.469 3.950 20 0 EHADRM CC(C)[C@H]1CCC[C@H](NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)C1 ZINC001591081070 991589688 /nfs/dbraw/zinc/58/96/88/991589688.db2.gz GOQCCUBBQYWNHZ-GJZGRUSLSA-N -1 0 342.439 3.671 20 0 EHADRM CC(C)[C@@H]1CCCN(C(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC001591086731 991603808 /nfs/dbraw/zinc/60/38/08/991603808.db2.gz DFGNBBNWJNFBMO-MDYRTPRTSA-N -1 0 329.440 3.530 20 0 EHADRM COc1cncc(/C=C\CCS[C@H](C)c2nc(C(=O)[O-])co2)c1 ZINC001599726429 991633846 /nfs/dbraw/zinc/63/38/46/991633846.db2.gz MCOJVVYMXIZFJF-USEMIUTHSA-N -1 0 334.397 3.674 20 0 EHADRM COc1cncc(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)c1C ZINC001599726616 991637828 /nfs/dbraw/zinc/63/78/28/991637828.db2.gz PKVJEKMNRVUVNR-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM CN(CC(=O)Nc1ccc2ccccc2c1)c1ccccc1C(=O)[O-] ZINC001598397713 991675710 /nfs/dbraw/zinc/67/57/10/991675710.db2.gz OZEYURAMBXZFHN-UHFFFAOYSA-N -1 0 334.375 3.613 20 0 EHADRM CC(C)[C@@H]1N(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC12CCCC2 ZINC001591099915 991717423 /nfs/dbraw/zinc/71/74/23/991717423.db2.gz RXJPXUMDWXQYGB-MNNVXMFVSA-N -1 0 333.472 3.839 20 0 EHADRM CC(C)C[C@@H](C(=O)N[C@@](C)(CCF)C(=O)[O-])c1ccc(Cl)cc1 ZINC001591117680 991776965 /nfs/dbraw/zinc/77/69/65/991776965.db2.gz DZBUYGAFCONHIX-PBHICJAKSA-N -1 0 343.826 3.789 20 0 EHADRM COc1nsc(CNc2ccc3c(c2)[nH]cc3C(=O)[O-])c1Cl ZINC001599741032 991856550 /nfs/dbraw/zinc/85/65/50/991856550.db2.gz AFMLGHNQCVUXGF-UHFFFAOYSA-N -1 0 337.788 3.597 20 0 EHADRM CC(C)C[C@@H](C)OC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC001591138467 991858529 /nfs/dbraw/zinc/85/85/29/991858529.db2.gz YIXORSVQJVANQG-GFCCVEGCSA-N -1 0 344.411 3.795 20 0 EHADRM CC(C)CC(CC(C)C)C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001591142373 991864625 /nfs/dbraw/zinc/86/46/25/991864625.db2.gz BCTBXCJDCSSTOT-QGZVFWFLSA-N -1 0 337.435 3.819 20 0 EHADRM CC(C)C[C@@H](CNC(=O)CCc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001591149187 991888908 /nfs/dbraw/zinc/88/89/08/991888908.db2.gz HADZPAAPTNGKOS-INIZCTEOSA-N -1 0 333.472 3.780 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)c2nc3ccccc3s2)s1 ZINC000339785687 1015670554 /nfs/dbraw/zinc/67/05/54/1015670554.db2.gz KNZOMZXQBCBBIF-UHFFFAOYSA-N -1 0 332.454 3.726 20 0 EHADRM CC(C)C[C@H](NC(=O)CSCc1cccc2ccccc21)C(=O)[O-] ZINC001591173639 991965298 /nfs/dbraw/zinc/96/52/98/991965298.db2.gz KDRQUDHNAOPBFK-KRWDZBQOSA-N -1 0 345.464 3.689 20 0 EHADRM CC(C)C[C@H](NC(=O)NCc1cc(C(=O)[O-])co1)c1ccccc1 ZINC001591177098 991970359 /nfs/dbraw/zinc/97/03/59/991970359.db2.gz AHIGEGDNVUQFIP-INIZCTEOSA-N -1 0 330.384 3.564 20 0 EHADRM CC(C)CC1(CNC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CC1 ZINC001591196462 992011328 /nfs/dbraw/zinc/01/13/28/992011328.db2.gz BFUOFPXWPUTCLM-JKSUJKDBSA-N -1 0 330.428 3.823 20 0 EHADRM CC(C)CCC(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC001591213726 992067120 /nfs/dbraw/zinc/06/71/20/992067120.db2.gz ATGNBEOSSDCSSG-UHFFFAOYSA-N -1 0 332.425 3.807 20 0 EHADRM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)NCCc1ccccc1C(=O)[O-] ZINC001591223343 992095476 /nfs/dbraw/zinc/09/54/76/992095476.db2.gz YAPHEEONCVBGTN-AEFFLSMTSA-N -1 0 346.471 3.831 20 0 EHADRM CC(C)CCCC(=O)N[C@@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001591228150 992102605 /nfs/dbraw/zinc/10/26/05/992102605.db2.gz PXUGCCMSGHZTEA-AEFFLSMTSA-N -1 0 331.456 3.892 20 0 EHADRM CC(C)CCC[C@H](C)NC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001591229836 992114609 /nfs/dbraw/zinc/11/46/09/992114609.db2.gz WPENSCYZNSCNQT-OXJNMPFZSA-N -1 0 346.471 3.639 20 0 EHADRM CC(C)CCCCC(=O)NCc1ccccc1-c1cc(C(=O)[O-])n[nH]1 ZINC001591237269 992122171 /nfs/dbraw/zinc/12/21/71/992122171.db2.gz ZHARWYLKVJRYFS-UHFFFAOYSA-N -1 0 343.427 3.608 20 0 EHADRM CC(C)CCO[C@@H](C)C(=O)N(c1ccccc1C(=O)[O-])C1CCC1 ZINC001591252417 992153129 /nfs/dbraw/zinc/15/31/29/992153129.db2.gz ZGDUUPSETMMDRS-AWEZNQCLSA-N -1 0 333.428 3.722 20 0 EHADRM CC(C)CCn1ncc(N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@H]23)c1C(C)C ZINC001591277597 992202680 /nfs/dbraw/zinc/20/26/80/992202680.db2.gz YFVNNUOMSMGCQP-YHUYYLMFSA-N -1 0 333.476 3.964 20 0 EHADRM CC(C)CN(C(=O)C[C@@H]1CCc2ccccc2C1)C(C)(C)C(=O)[O-] ZINC001591279966 992205436 /nfs/dbraw/zinc/20/54/36/992205436.db2.gz CPFUZHOWRCNQJK-OAHLLOKOSA-N -1 0 331.456 3.529 20 0 EHADRM CC(C)CN(C(C)C)S(=O)(=O)c1cccc2c(C(=O)[O-])cccc21 ZINC001591287379 992229754 /nfs/dbraw/zinc/22/97/54/992229754.db2.gz ORTGBXOQINFISE-UHFFFAOYSA-N -1 0 349.452 3.593 20 0 EHADRM CS[C@H](C(=O)Oc1cc(C(=O)[O-])cc(F)c1C)c1ccccc1 ZINC001599780304 992356161 /nfs/dbraw/zinc/35/61/61/992356161.db2.gz HRKNXBBHVLHGQE-HNNXBMFYSA-N -1 0 334.368 3.842 20 0 EHADRM C[S@](=O)c1ccc(N[C@H]2CCC[C@H](CCCC(=O)[O-])C2)cc1F ZINC001599780748 992360738 /nfs/dbraw/zinc/36/07/38/992360738.db2.gz VCFWSQMSDIJADF-PSVOKBTDSA-N -1 0 341.448 3.789 20 0 EHADRM CS[C@H](C)CCC(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1 ZINC001599782572 992383897 /nfs/dbraw/zinc/38/38/97/992383897.db2.gz FUWRYYWXCCJYCV-HIFRSBDPSA-N -1 0 329.506 3.838 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)Cc1ccc(OC(F)F)cc1F ZINC001598514040 992599098 /nfs/dbraw/zinc/59/90/98/992599098.db2.gz TTZFJBBFAUGRIY-UHFFFAOYSA-N -1 0 339.313 3.757 20 0 EHADRM CN(Cc1ccc(Cl)c(F)c1)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001598517526 992636187 /nfs/dbraw/zinc/63/61/87/992636187.db2.gz AXHUVRUJFCSKHQ-UHFFFAOYSA-N -1 0 339.725 3.589 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)c3c[nH]c(C(=O)[O-])c3)ccc21 ZINC001591521021 992688400 /nfs/dbraw/zinc/68/84/00/992688400.db2.gz AADXJVPBAQJGEP-UHFFFAOYSA-N -1 0 325.368 3.576 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])ccc21 ZINC001591521696 992692267 /nfs/dbraw/zinc/69/22/67/992692267.db2.gz PUDRZVSOSGBHOS-HZPDHXFCSA-N -1 0 343.427 3.672 20 0 EHADRM CC(C)Cn1ncc(NCc2ccc(C(=O)[O-])cc2F)c1C1CC1 ZINC001591534090 992714399 /nfs/dbraw/zinc/71/43/99/992714399.db2.gz WAZLKSMQMXKCTL-UHFFFAOYSA-N -1 0 331.391 3.866 20 0 EHADRM CC(C)N(C(=O)/C=C/c1cc(C(=O)[O-])co1)[C@H](C)c1ccccc1 ZINC001591538706 992717581 /nfs/dbraw/zinc/71/75/81/992717581.db2.gz KWIJRSOTUZLKIP-ATWMFIQVSA-N -1 0 327.380 3.989 20 0 EHADRM CN(Cc1cccc(F)c1)C(=O)Nc1ccc2c(c1)[nH]cc2C(=O)[O-] ZINC001598526154 992722836 /nfs/dbraw/zinc/72/28/36/992722836.db2.gz OTERPPMDDUARIJ-UHFFFAOYSA-N -1 0 341.342 3.669 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)CCCc1ccc2c(c1)CCCC2 ZINC001591576146 992788949 /nfs/dbraw/zinc/78/89/49/992788949.db2.gz ZMTSLQFOWIQDHJ-UHFFFAOYSA-N -1 0 331.456 3.600 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1 ZINC001591582093 992791244 /nfs/dbraw/zinc/79/12/44/992791244.db2.gz IEDNDWPMENKCKM-UHFFFAOYSA-N -1 0 330.428 3.791 20 0 EHADRM CC(C)N(C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1cnc2ccccc2c1 ZINC001591603932 992839662 /nfs/dbraw/zinc/83/96/62/992839662.db2.gz CIZVVYRIEVMCII-SHTZXODSSA-N -1 0 340.423 3.867 20 0 EHADRM CN(Cc1nc2ccccc2o1)Cc1cc(C(=O)[O-])ccc1Cl ZINC001598538008 992863767 /nfs/dbraw/zinc/86/37/67/992863767.db2.gz XNEAXMVUCCQJLC-UHFFFAOYSA-N -1 0 330.771 3.811 20 0 EHADRM CC(C)c1nnc(CCC(=O)Nc2cc(Cl)c([O-])c(Cl)c2)o1 ZINC000154690493 1015770388 /nfs/dbraw/zinc/77/03/88/1015770388.db2.gz UGCYFQKLDKBERL-UHFFFAOYSA-N -1 0 344.198 3.777 20 0 EHADRM COc1ccc(F)c2[nH]c(C(=O)Nc3scc(C(=O)[O-])c3C)cc21 ZINC001599582379 993569378 /nfs/dbraw/zinc/56/93/78/993569378.db2.gz YDJKQTYXXOHSIM-UHFFFAOYSA-N -1 0 348.355 3.636 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@@H]1CC(C)(C)C)c1ncc(C(=O)[O-])s1 ZINC001593061815 993571456 /nfs/dbraw/zinc/57/14/56/993571456.db2.gz DLZHPKDZKQCSBG-WDEREUQCSA-N -1 0 339.461 3.513 20 0 EHADRM COc1ccc(N(C)C(=O)Nc2ccc(C(=O)[O-])s2)cc1Cl ZINC001599583491 993582403 /nfs/dbraw/zinc/58/24/03/993582403.db2.gz VWPYWQYLOMOHRU-UHFFFAOYSA-N -1 0 340.788 3.777 20 0 EHADRM COc1ccc(NC(=O)C[C@H](C)Nc2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001599590222 993670562 /nfs/dbraw/zinc/67/05/62/993670562.db2.gz VAXXZMFVFNBIEJ-ZDUSSCGKSA-N -1 0 342.395 3.531 20 0 EHADRM COc1ccc(NC(=O)/C=C/c2cc(C(=O)[O-])co2)c2ccccc12 ZINC001599590893 993681552 /nfs/dbraw/zinc/68/15/52/993681552.db2.gz XEKADQWOQBLANH-RMKNXTFCSA-N -1 0 337.331 3.792 20 0 EHADRM COc1ccc(NC(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1 ZINC001599594646 993733823 /nfs/dbraw/zinc/73/38/23/993733823.db2.gz WQCOLCUFNVGDPM-GFCCVEGCSA-N -1 0 328.368 3.602 20 0 EHADRM COc1ccc(NCc2sc(C)nc2C(F)(F)F)c(C(=O)[O-])c1 ZINC001599597278 993765146 /nfs/dbraw/zinc/76/51/46/993765146.db2.gz OOYPMULMOZPPGU-UHFFFAOYSA-N -1 0 346.330 3.789 20 0 EHADRM C[C@H](NC(=O)Nc1cc(C(=O)[O-])ccc1F)C1CCC(F)(F)CC1 ZINC001593110022 993779249 /nfs/dbraw/zinc/77/92/49/993779249.db2.gz UCUFOMUXINZBQJ-VIFPVBQESA-N -1 0 344.333 3.859 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(Cl)c(F)c1)c1ncc(C(=O)[O-])s1 ZINC001593117805 993819090 /nfs/dbraw/zinc/81/90/90/993819090.db2.gz VTIAKEQGULTXGX-ZCFIWIBFSA-N -1 0 343.767 3.517 20 0 EHADRM C[C@H](NC(=O)[C@]1(C)CC[C@H](C)C1(C)C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593140885 993924895 /nfs/dbraw/zinc/92/48/95/993924895.db2.gz RWPZMWVUACVDPI-JUBNYVGKSA-N -1 0 345.483 3.897 20 0 EHADRM COc1ccc(S[C@H](C(=O)[O-])c2cc(OC)cc(OC)c2)cc1 ZINC001599618866 994053526 /nfs/dbraw/zinc/05/35/26/994053526.db2.gz AXNMBCSUYVVQOK-INIZCTEOSA-N -1 0 334.393 3.630 20 0 EHADRM COc1ccc2c(c1)[C@@H](C(=O)O[C@H](C)c1cc(C(=O)[O-])co1)CCC2 ZINC001599624159 994124245 /nfs/dbraw/zinc/12/42/45/994124245.db2.gz ALKQKSNHMRWASX-ABAIWWIYSA-N -1 0 344.363 3.711 20 0 EHADRM CC(C)n1cc([C@H](C)N[C@H](C(=O)[O-])c2c(F)cccc2Cl)cn1 ZINC001593190946 994129954 /nfs/dbraw/zinc/12/99/54/994129954.db2.gz ZGPCALJZOOFVBX-BONVTDFDSA-N -1 0 339.798 3.733 20 0 EHADRM C[C@@H](N[C@@H](C(=O)[O-])c1ccsc1)c1nc(C(F)(F)F)cs1 ZINC001593196104 994151946 /nfs/dbraw/zinc/15/19/46/994151946.db2.gz ULHKEQXKVXWSKF-HZGVNTEJSA-N -1 0 336.360 3.700 20 0 EHADRM C[C@@H](N[C@@H](C)c1cccc(F)c1F)c1ccccc1OCC(=O)[O-] ZINC001593197289 994162437 /nfs/dbraw/zinc/16/24/37/994162437.db2.gz JIMROIBLLCOJDY-NEPJUHHUSA-N -1 0 335.350 3.840 20 0 EHADRM COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)c1ccc(C(=O)[O-])s1 ZINC001599628220 994179129 /nfs/dbraw/zinc/17/91/29/994179129.db2.gz IHCYVXGNBJIEEC-CQSZACIVSA-N -1 0 345.420 3.605 20 0 EHADRM COc1ccc2c(c1)CCCCN2C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001599628181 994179334 /nfs/dbraw/zinc/17/93/34/994179334.db2.gz GROWRCMFSPEMJU-UHFFFAOYSA-N -1 0 345.439 3.790 20 0 EHADRM C[C@H](N[C@@H](C)c1ccc(C(F)(F)F)cn1)c1ncc(C(=O)[O-])s1 ZINC001593204242 994199329 /nfs/dbraw/zinc/19/93/29/994199329.db2.gz OPHMSJNOLARGJB-YUMQZZPRSA-N -1 0 345.346 3.667 20 0 EHADRM COc1ccc2cc(NC(=O)c3ccc(C)c(C(=O)[O-])c3)ccc2n1 ZINC001599634385 994265366 /nfs/dbraw/zinc/26/53/66/994265366.db2.gz MRCYSDJQHGERJD-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM COc1ccc2cc(NC(=O)N[C@@](C)(CC(=O)[O-])C3CC3)ccc2c1 ZINC001599634546 994267524 /nfs/dbraw/zinc/26/75/24/994267524.db2.gz QOGLLBVEQPVVFR-IBGZPJMESA-N -1 0 342.395 3.613 20 0 EHADRM COc1ccc2ccc(OC(=O)Cc3cccc(C(=O)[O-])c3)cc2c1 ZINC001599636646 994298175 /nfs/dbraw/zinc/29/81/75/994298175.db2.gz QXLZJCYQTDKERJ-UHFFFAOYSA-N -1 0 336.343 3.695 20 0 EHADRM COc1ccc2oc(CN[C@@H](C(=O)[O-])c3ccc(F)c(C)c3)cc2c1 ZINC001599637504 994310737 /nfs/dbraw/zinc/31/07/37/994310737.db2.gz LOBTVCFFBJPUDW-GOSISDBHSA-N -1 0 343.354 3.804 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001599643644 994393328 /nfs/dbraw/zinc/39/33/28/994393328.db2.gz NDFZGRKXACPAOC-HDJSIYSDSA-N -1 0 332.396 3.905 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)c1cc(C(C)C)oc1C ZINC001599644815 994411091 /nfs/dbraw/zinc/41/10/91/994411091.db2.gz YWZNXHVXHFKHCH-UHFFFAOYSA-N -1 0 331.368 3.695 20 0 EHADRM COc1cccc([C@@H](OC(=O)c2sc(C(C)C)nc2C)C(=O)[O-])c1 ZINC001599662360 994675129 /nfs/dbraw/zinc/67/51/29/994675129.db2.gz YNDANKJILFMOCP-CYBMUJFWSA-N -1 0 349.408 3.566 20 0 EHADRM COc1cccc(CC(=O)[O-])c1OCCSCc1ccccc1 ZINC001599664014 994700069 /nfs/dbraw/zinc/70/00/69/994700069.db2.gz CYDAZEQAUFNYLH-UHFFFAOYSA-N -1 0 332.421 3.635 20 0 EHADRM C[C@H](NCc1cccc(C(=O)[O-])c1Cl)c1nc(C(C)(C)C)no1 ZINC001593304558 994749244 /nfs/dbraw/zinc/74/92/44/994749244.db2.gz OJBKLSXMAWFKBL-VIFPVBQESA-N -1 0 337.807 3.570 20 0 EHADRM COc1cccc(C[C@@H](C)CC(=O)Nc2scc(C)c2C(=O)[O-])c1 ZINC001599667276 994750124 /nfs/dbraw/zinc/75/01/24/994750124.db2.gz YORXWRKUNLPUPG-LLVKDONJSA-N -1 0 347.436 3.971 20 0 EHADRM COc1cccc(CN2CCCc3c(C(=O)[O-])ccc(C)c32)c1C ZINC001599673846 994861772 /nfs/dbraw/zinc/86/17/72/994861772.db2.gz XRARKDOKJIUFMS-UHFFFAOYSA-N -1 0 325.408 3.963 20 0 EHADRM CNc1ccc(C(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)c(Cl)c1 ZINC001598678776 994891485 /nfs/dbraw/zinc/89/14/85/994891485.db2.gz SUBLXSRCEJCAKX-INIZCTEOSA-N -1 0 346.814 3.554 20 0 EHADRM COc1cccc(Cl)c1NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001599677155 994916656 /nfs/dbraw/zinc/91/66/56/994916656.db2.gz NIUPPLSAPWFFFL-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM COc1cccc(OCCNc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC001599682695 995008611 /nfs/dbraw/zinc/00/86/11/995008611.db2.gz VLEZCVMFAPHNJT-UHFFFAOYSA-N -1 0 329.396 3.548 20 0 EHADRM C[C@H](Nc1cc(C(=O)[O-])ncn1)C(c1ccccc1)c1ccccc1 ZINC001593359388 995016925 /nfs/dbraw/zinc/01/69/25/995016925.db2.gz DIDWCDMZGVZAMK-AWEZNQCLSA-N -1 0 333.391 3.807 20 0 EHADRM C[C@H](Nc1ccc(O[C@H]2CC2(F)F)cc1)c1cncc(C(=O)[O-])c1 ZINC001593362994 995033959 /nfs/dbraw/zinc/03/39/59/995033959.db2.gz MRPPEFLMCICUKN-BONVTDFDSA-N -1 0 334.322 3.739 20 0 EHADRM C[C@@H](Nc1cccc(CN2CCCC2=O)c1)c1cc(C(=O)[O-])cs1 ZINC001593365686 995042369 /nfs/dbraw/zinc/04/23/69/995042369.db2.gz GLUSFLNMKXBICE-GFCCVEGCSA-N -1 0 344.436 3.742 20 0 EHADRM C[C@H](Nc1ncnc2cccc(F)c21)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593373453 995066992 /nfs/dbraw/zinc/06/69/92/995066992.db2.gz FFKLEDVNSZHFKY-GXTWGEPZSA-N -1 0 339.370 3.513 20 0 EHADRM CC(C)n1c(N[C@H](C)c2ncc(C(=O)[O-])s2)nc2ccccc21 ZINC001593374077 995071159 /nfs/dbraw/zinc/07/11/59/995071159.db2.gz NXLVCZTXTYCHIC-SNVBAGLBSA-N -1 0 330.413 3.945 20 0 EHADRM C[C@@H](Nc1ncc(C(=O)[O-])s1)c1nc2ccccc2n1C(F)F ZINC001593374600 995074238 /nfs/dbraw/zinc/07/42/38/995074238.db2.gz UHIGSMCNNZQOQQ-SSDOTTSWSA-N -1 0 338.339 3.759 20 0 EHADRM C[C@H](Nc1nc2c(cccc2F)o1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593374933 995075816 /nfs/dbraw/zinc/07/58/16/995075816.db2.gz WSVIWNCLAIJCML-WCQYABFASA-N -1 0 328.343 3.711 20 0 EHADRM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000109425553 1015935082 /nfs/dbraw/zinc/93/50/82/1015935082.db2.gz QPMKOWQYVCQDOK-UHFFFAOYSA-N -1 0 342.823 3.654 20 0 EHADRM C[C@@H](O)c1cc(NCc2ccnc3c(C(=O)[O-])cccc23)ccc1F ZINC001593476836 995410860 /nfs/dbraw/zinc/41/08/60/995410860.db2.gz AUZXWIFBMVDMHI-LLVKDONJSA-N -1 0 340.354 3.738 20 0 EHADRM C[C@H](OC(=O)CCCc1c(F)cccc1F)c1cc(C(=O)[O-])co1 ZINC001593525626 995563967 /nfs/dbraw/zinc/56/39/67/995563967.db2.gz NLROMOJZXOTGSN-JTQLQIEISA-N -1 0 338.306 3.883 20 0 EHADRM C[C@@H](OC(=O)CCc1cnc2ccccc2c1)c1ccc(C(=O)[O-])o1 ZINC001593527761 995573779 /nfs/dbraw/zinc/57/37/79/995573779.db2.gz NGJWJFQPKQMVKW-GFCCVEGCSA-N -1 0 339.347 3.763 20 0 EHADRM C[C@@H](OC(=O)c1cc(C(=O)[O-])co1)c1ccc(OC(F)(F)F)cc1 ZINC001593556749 995645966 /nfs/dbraw/zinc/64/59/66/995645966.db2.gz WWJQSUDVGFJXQI-MRVPVSSYSA-N -1 0 344.241 3.794 20 0 EHADRM C[C@@H](OC(=O)c1ccc(F)c2ccncc12)c1cc(C(=O)[O-])co1 ZINC001593579472 995694930 /nfs/dbraw/zinc/69/49/30/995694930.db2.gz ZRQAEVUQPLFDBW-SECBINFHSA-N -1 0 329.283 3.583 20 0 EHADRM C[C@@H](OC(=O)c1ccc2cc(O)ccc2c1)c1ccc(C(=O)[O-])o1 ZINC001593586433 995709853 /nfs/dbraw/zinc/70/98/53/995709853.db2.gz VTHJBJHGZUABJI-SNVBAGLBSA-N -1 0 326.304 3.755 20 0 EHADRM C[C@H](OC(=O)c1cnn(C2CCCCC2)c1)c1ccc(C(=O)[O-])o1 ZINC001593600240 995752330 /nfs/dbraw/zinc/75/23/30/995752330.db2.gz XCIOWEAMEYSEJM-NSHDSACASA-N -1 0 332.356 3.598 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC001593602328 995763055 /nfs/dbraw/zinc/76/30/55/995763055.db2.gz CJGSKTSWWJWWBS-PBHICJAKSA-N -1 0 339.476 3.512 20 0 EHADRM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCCCCCCC(=O)[O-] ZINC001593635075 995930910 /nfs/dbraw/zinc/93/09/10/995930910.db2.gz LRSOYRHGDFZERK-OAHLLOKOSA-N -1 0 349.471 3.903 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)C(=O)NC2(C(=O)[O-])CCCCCC2)c1 ZINC001593636979 995939124 /nfs/dbraw/zinc/93/91/24/995939124.db2.gz ZEANCCNPFJPNIF-HNNXBMFYSA-N -1 0 347.455 3.871 20 0 EHADRM C[C@H](Oc1ccccc1)C(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1 ZINC001593641153 995948970 /nfs/dbraw/zinc/94/89/70/995948970.db2.gz WOOOWQNJBTWLFB-RDJZCZTQSA-N -1 0 347.455 3.774 20 0 EHADRM C[C@@H](Oc1ccccc1CN(CC1CCC1)CC(F)(F)F)C(=O)[O-] ZINC001593644441 995961236 /nfs/dbraw/zinc/96/12/36/995961236.db2.gz KMOGCOFKBOHVHM-GFCCVEGCSA-N -1 0 345.361 3.703 20 0 EHADRM C[C@@H](SCC(C)(C)C(=O)[O-])C(=O)Nc1cc(Cl)ccc1F ZINC001593656578 996026756 /nfs/dbraw/zinc/02/67/56/996026756.db2.gz IPZRWHAQIPBIMZ-MRVPVSSYSA-N -1 0 333.812 3.650 20 0 EHADRM C[C@@H](SCCn1cc(C(=O)[O-])nn1)c1ccc(Cl)c(Cl)c1 ZINC001593662048 996041412 /nfs/dbraw/zinc/04/14/12/996041412.db2.gz XBKCKOJYURCZBP-MRVPVSSYSA-N -1 0 346.239 3.778 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N1CC(C2CCCCC2)C1)C(=O)[O-] ZINC001593668279 996062086 /nfs/dbraw/zinc/06/20/86/996062086.db2.gz OYZHZPINJQIVHE-CYBMUJFWSA-N -1 0 347.480 3.904 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001593673330 996083556 /nfs/dbraw/zinc/08/35/56/996083556.db2.gz JRPODMDSQQSBJR-SECBINFHSA-N -1 0 336.800 3.553 20 0 EHADRM C[C@H](Sc1nc(C(=O)[O-])cs1)c1nc(-c2cccs2)no1 ZINC001593678802 996095223 /nfs/dbraw/zinc/09/52/23/996095223.db2.gz ACFMSKPNVAZWGG-LURJTMIESA-N -1 0 339.423 3.806 20 0 EHADRM C[C@H](Sc1cncc(C(=O)[O-])n1)c1cccc(Br)c1 ZINC001593680113 996106299 /nfs/dbraw/zinc/10/62/99/996106299.db2.gz UAUQCSJDHBCFTO-QMMMGPOBSA-N -1 0 339.214 3.791 20 0 EHADRM C[C@H](c1ccc(Cl)cc1Cl)N(C)c1cnc(C(=O)[O-])cn1 ZINC001593692509 996139853 /nfs/dbraw/zinc/13/98/53/996139853.db2.gz DRDMQHCVKQZDHH-MRVPVSSYSA-N -1 0 326.183 3.679 20 0 EHADRM C[C@@H](c1ccccc1)N(C(=O)c1ccc(/C=C/C(=O)[O-])o1)C1CC1 ZINC001593705400 996190137 /nfs/dbraw/zinc/19/01/37/996190137.db2.gz JJYGEELLMATVTE-XSNHNAGMSA-N -1 0 325.364 3.743 20 0 EHADRM C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001593706058 996194136 /nfs/dbraw/zinc/19/41/36/996194136.db2.gz OACZDEHTZLPDFQ-FZKQIMNGSA-N -1 0 341.382 3.932 20 0 EHADRM C[C@H](c1ccccc1)n1cnnc1SCc1ccccc1C(=O)[O-] ZINC001593712951 996217662 /nfs/dbraw/zinc/21/76/62/996217662.db2.gz IDROBMTUELYTHO-CYBMUJFWSA-N -1 0 339.420 3.878 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C)C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001593713750 996224011 /nfs/dbraw/zinc/22/40/11/996224011.db2.gz QKCCQBFLKHIGSU-LLVKDONJSA-N -1 0 347.802 3.587 20 0 EHADRM C[C@H](c1nc(C(=O)[O-])co1)N(C)Cc1cccc(Cl)c1Cl ZINC001593725519 996278907 /nfs/dbraw/zinc/27/89/07/996278907.db2.gz RDPZJWYFTAEHOP-MRVPVSSYSA-N -1 0 329.183 3.873 20 0 EHADRM CC1(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2O)CCC(F)(F)CC1 ZINC001593759609 996415673 /nfs/dbraw/zinc/41/56/73/996415673.db2.gz GSUIPMGGVMVHLW-UHFFFAOYSA-N -1 0 347.745 3.898 20 0 EHADRM CC1(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)CCCC1 ZINC001593759695 996417162 /nfs/dbraw/zinc/41/71/62/996417162.db2.gz KXKXUPLUCCJFIX-UHFFFAOYSA-N -1 0 330.428 3.894 20 0 EHADRM CC1(C)CC[C@H](NC(=O)N2CCC[C@@](C)(C(=O)[O-])C2)c2ccccc21 ZINC001593767775 996450841 /nfs/dbraw/zinc/45/08/41/996450841.db2.gz GNYHYMDBAQYFKW-OXJNMPFZSA-N -1 0 344.455 3.695 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2ccc(Cl)c3ncccc23)C1 ZINC001593770963 996462215 /nfs/dbraw/zinc/46/22/15/996462215.db2.gz JTUGFUJDHAQXML-QGZVFWFLSA-N -1 0 347.802 3.607 20 0 EHADRM COC(=O)C[C@@H](C)S[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001598840995 996525049 /nfs/dbraw/zinc/52/50/49/996525049.db2.gz VOTLPRDKRNAVFH-JMCQJSRRSA-N -1 0 337.224 3.804 20 0 EHADRM CC1(C)C(C)(C)C1(C)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O ZINC001593830443 996572813 /nfs/dbraw/zinc/57/28/13/996572813.db2.gz GQSMHXPHUHIBAX-UHFFFAOYSA-N -1 0 325.792 3.755 20 0 EHADRM CC1(C)[C@@H](c2cccc(F)c2)CCN1C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001593838246 996598368 /nfs/dbraw/zinc/59/83/68/996598368.db2.gz UKBOQEYMOZTTBM-GVDBMIGSSA-N -1 0 347.430 3.811 20 0 EHADRM CC1(C)[C@@H](c2cccc(Cl)c2)CCN1C(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001593838678 996598760 /nfs/dbraw/zinc/59/87/60/996598760.db2.gz ZATVCXBNRONKGE-CYBMUJFWSA-N -1 0 346.814 3.775 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)C1CC(C)(C)CC(C)(C)C1)c1cccnc1 ZINC001593847519 996614311 /nfs/dbraw/zinc/61/43/11/996614311.db2.gz PDSVQLINHZZGDC-FQEVSTJZSA-N -1 0 346.471 3.740 20 0 EHADRM CC1(C)CC(C(=O)N(CCc2ccccc2)CC(=O)[O-])CC(C)(C)C1 ZINC001593847603 996615023 /nfs/dbraw/zinc/61/50/23/996615023.db2.gz RMULNRJAHCVTHV-UHFFFAOYSA-N -1 0 345.483 3.995 20 0 EHADRM CC1(C)C[C@H](C(=O)Nc2ccc(C(=O)[O-])cc2)c2ccccc2O1 ZINC001593848233 996619048 /nfs/dbraw/zinc/61/90/48/996619048.db2.gz MOAHDMLHKTWNHZ-HNNXBMFYSA-N -1 0 325.364 3.668 20 0 EHADRM CC1(C)C[C@@H](C(=O)Nc2c(C(=O)[O-])ccc3ccccc32)CCO1 ZINC001593848469 996620277 /nfs/dbraw/zinc/62/02/77/996620277.db2.gz SDUDSLUOYFNDER-ZDUSSCGKSA-N -1 0 327.380 3.682 20 0 EHADRM CC1(C)C[C@@]1(C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21)c1ccccc1 ZINC001593863810 996664552 /nfs/dbraw/zinc/66/45/52/996664552.db2.gz NQKFFYCPOVFAHD-NYHFZMIOSA-N -1 0 349.430 3.959 20 0 EHADRM CC1(C)C[C@@]1(C(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC001593864737 996668607 /nfs/dbraw/zinc/66/86/07/996668607.db2.gz FIHMQVUMUJDVHB-IBGZPJMESA-N -1 0 327.355 3.830 20 0 EHADRM CC1(C)C[C@]1(C(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccccc1 ZINC001593866138 996672970 /nfs/dbraw/zinc/67/29/70/996672970.db2.gz YEQXATBQGZDTPY-LJQANCHMSA-N -1 0 327.355 3.830 20 0 EHADRM CC1(C)CC[C@H](C(=O)N[C@H]2CC=C(C(=O)[O-])C2)[C@H](c2ccccc2)C1 ZINC001593874892 996692798 /nfs/dbraw/zinc/69/27/98/996692798.db2.gz RNRPJAZOAFSYRU-BZSNNMDCSA-N -1 0 341.451 3.886 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)[C@H]2CCC(C)(C)O2)s1 ZINC001593874950 996692888 /nfs/dbraw/zinc/69/28/88/996692888.db2.gz UVDSSOBXAFBVHQ-SNVBAGLBSA-N -1 0 325.430 3.640 20 0 EHADRM CC1(C)CCC[C@](NC(=O)C2CCc3ccccc3CC2)(C(=O)[O-])C1 ZINC001593890943 996734807 /nfs/dbraw/zinc/73/48/07/996734807.db2.gz HHSZTUBHNLASGD-OAQYLSRUSA-N -1 0 343.467 3.721 20 0 EHADRM CC1(C)CCC[C@@](NC(=O)c2cnc(-c3ccco3)s2)(C(=O)[O-])C1 ZINC001593892571 996741814 /nfs/dbraw/zinc/74/18/14/996741814.db2.gz OIRMHWMQNGMVRC-KRWDZBQOSA-N -1 0 348.424 3.557 20 0 EHADRM CC1(C)CCC[C@@](NC(=O)c2ccc3ccccc3c2O)(C(=O)[O-])C1 ZINC001593893233 996745596 /nfs/dbraw/zinc/74/55/96/996745596.db2.gz YRWZZHWDBWDJID-FQEVSTJZSA-N -1 0 341.407 3.699 20 0 EHADRM CC1(C)CCC[C@H]1C(=O)Nc1cc(C(F)(F)F)cnc1C(=O)[O-] ZINC001593896905 996756005 /nfs/dbraw/zinc/75/60/05/996756005.db2.gz FINFJAXLNULKAV-VIFPVBQESA-N -1 0 330.306 3.563 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cc(C3CC3)cnc2Cl)c1 ZINC001599489393 996910447 /nfs/dbraw/zinc/91/04/47/996910447.db2.gz JEWZITUJWDBGND-UHFFFAOYSA-N -1 0 346.770 3.572 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2ccc(C)c(Cl)c2F)c1 ZINC001599490823 996936058 /nfs/dbraw/zinc/93/60/58/996936058.db2.gz XZWIIOPVVUSYEZ-UHFFFAOYSA-N -1 0 337.734 3.747 20 0 EHADRM COCc1cc(NC(=O)N[C@@H](C)[C@H]2CCC[C@H](C)C2)cc(C(=O)[O-])c1 ZINC001599286266 996983224 /nfs/dbraw/zinc/98/32/24/996983224.db2.gz PIHOBZGJTWEQHH-YDHLFZDLSA-N -1 0 348.443 3.868 20 0 EHADRM COCc1cc(NC(=O)N[C@@H]2CCC[C@H](C3CC3)C2)cc(C(=O)[O-])c1 ZINC001599288906 997027842 /nfs/dbraw/zinc/02/78/42/997027842.db2.gz OBZXGSQRVWBLRW-GOEBONIOSA-N -1 0 346.427 3.622 20 0 EHADRM CC1(C)CO[C@@H](CCC(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)C1 ZINC001593954286 997042823 /nfs/dbraw/zinc/04/28/23/997042823.db2.gz KADYDZCARWWMRH-JTQLQIEISA-N -1 0 343.782 3.711 20 0 EHADRM COc1ccc(C(=O)[O-])cc1CN1c2ccccc2N(C)CC[C@H]1C ZINC001599500388 997106866 /nfs/dbraw/zinc/10/68/66/997106866.db2.gz GWFRJRWVFGDWBT-CQSZACIVSA-N -1 0 340.423 3.628 20 0 EHADRM COCc1ccc(NCc2cc(C)c(OCC(=O)[O-])c(C)c2)cc1 ZINC001599294894 997123323 /nfs/dbraw/zinc/12/33/23/997123323.db2.gz PSMBACJZWIPPHU-UHFFFAOYSA-N -1 0 329.396 3.525 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1cc(SC)oc1C ZINC001599397509 997154701 /nfs/dbraw/zinc/15/47/01/997154701.db2.gz FJPXLZGLFXDNPB-ALCCZGGFSA-N -1 0 348.376 3.636 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)[C@H]1CCCC(F)(F)C1 ZINC001599398403 997171099 /nfs/dbraw/zinc/17/10/99/997171099.db2.gz ZYGIFPZKTKWOKM-PZBABLGHSA-N -1 0 340.322 3.524 20 0 EHADRM COCc1cccc(COc2cc(/C=C\C(=O)[O-])ccc2OC)c1 ZINC001599298368 997187333 /nfs/dbraw/zinc/18/73/33/997187333.db2.gz UJALAPSZTNTIKH-CLFYSBASSA-N -1 0 328.364 3.518 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC[C@H]1CC2(CO1)CCCCC2 ZINC001599400730 997210243 /nfs/dbraw/zinc/21/02/43/997210243.db2.gz RNIQOPUYTWAZPK-QKIRZYONSA-N -1 0 346.423 3.911 20 0 EHADRM CC1(C)SC[C@H]1NC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001593982991 997220869 /nfs/dbraw/zinc/22/08/69/997220869.db2.gz UXRPLJYKNMZMGT-CQSZACIVSA-N -1 0 330.409 3.554 20 0 EHADRM COc1ccc([C@H](C)CN2CCCc3c(C(=O)[O-])cccc32)cc1 ZINC001599507438 997235113 /nfs/dbraw/zinc/23/51/13/997235113.db2.gz NDZXSKIIJCFWOE-CQSZACIVSA-N -1 0 325.408 3.950 20 0 EHADRM COc1ccc([C@H](C)COc2ccc(/C=C\C(=O)[O-])cc2OC)cc1 ZINC001599507729 997240205 /nfs/dbraw/zinc/24/02/05/997240205.db2.gz YHFLHCLQGXERII-JAYGETEZSA-N -1 0 342.391 3.984 20 0 EHADRM COc1cc(CNC(=O)CCC2CCCCCC2)ccc1C(=O)[O-] ZINC001599408617 997379508 /nfs/dbraw/zinc/37/95/08/997379508.db2.gz AIEGVOCAXSQAAB-UHFFFAOYSA-N -1 0 333.428 3.760 20 0 EHADRM COc1ccc([C@@H](NC(=O)c2ccc(C)c(C(=O)[O-])c2)C(C)C)cc1 ZINC001599523787 997525374 /nfs/dbraw/zinc/52/53/74/997525374.db2.gz JYLHJAMNXJWPDC-SFHVURJKSA-N -1 0 341.407 3.829 20 0 EHADRM CON(C[C@@H]1CCC[C@H](C)C1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001599317505 997526464 /nfs/dbraw/zinc/52/64/64/997526464.db2.gz NVKMRQBIIQSYRP-NWDGAFQWSA-N -1 0 338.379 3.746 20 0 EHADRM CON(Cc1ccccc1Cl)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001599317928 997531641 /nfs/dbraw/zinc/53/16/41/997531641.db2.gz DLYBTTSVNMUSBI-UHFFFAOYSA-N -1 0 339.819 3.655 20 0 EHADRM C[C@@]1(CNC(=O)NCCCCCCC(=O)[O-])CCCc2ccccc21 ZINC001594020938 997535520 /nfs/dbraw/zinc/53/55/20/997535520.db2.gz ZBFOFPNKTUBODK-FQEVSTJZSA-N -1 0 346.471 3.615 20 0 EHADRM CC1(CNC(=O)Nc2ccc(Cl)cc2SCCC(=O)[O-])CC1 ZINC001594021041 997537245 /nfs/dbraw/zinc/53/72/45/997537245.db2.gz ZJZGJWKQBSVYSY-UHFFFAOYSA-N -1 0 342.848 3.828 20 0 EHADRM COc1cc(Cl)cc(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])c1 ZINC001599419813 997574569 /nfs/dbraw/zinc/57/45/69/997574569.db2.gz MMFGMEQCFQYQEP-OAHLLOKOSA-N -1 0 339.819 3.502 20 0 EHADRM CO[C@@H]1CCC[C@@H](CC(=O)Nc2c(C)sc(C)c2C(=O)[O-])C1 ZINC001599112243 997589693 /nfs/dbraw/zinc/58/96/93/997589693.db2.gz LMBPZIVRFFDTAT-VXGBXAGGSA-N -1 0 325.430 3.597 20 0 EHADRM COc1cc(Cl)ccc1CN[C@H](C(=O)[O-])c1ccccc1Cl ZINC001599420878 997592502 /nfs/dbraw/zinc/59/25/02/997592502.db2.gz LYRYHHXOTJXMRV-HNNXBMFYSA-N -1 0 340.206 3.918 20 0 EHADRM COc1cc(Cl)ccc1NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC001599421214 997598209 /nfs/dbraw/zinc/59/82/09/997598209.db2.gz PQCGTFMUIVHWQM-UHFFFAOYSA-N -1 0 346.770 3.595 20 0 EHADRM CO[C@@H]1CCC[C@@H](CC(=O)N2CCCc3c(C(=O)[O-])ccc(C)c32)C1 ZINC001599113711 997614938 /nfs/dbraw/zinc/61/49/38/997614938.db2.gz RROAUXHMKZUJSW-HUUCEWRRSA-N -1 0 345.439 3.568 20 0 EHADRM CC(C)(C)OC(=O)N1CCC[C@](C)(CNc2cccc(C(=O)[O-])c2)C1 ZINC001594032682 997617320 /nfs/dbraw/zinc/61/73/20/997617320.db2.gz RRONDUUATYIQIF-LJQANCHMSA-N -1 0 348.443 3.834 20 0 EHADRM CO[C@@H]1CCC[C@H]1CNC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001599116098 997655307 /nfs/dbraw/zinc/65/53/07/997655307.db2.gz XVFQXWFSKGRKKH-WCQYABFASA-N -1 0 348.424 3.536 20 0 EHADRM C[C@@]1(Cc2ccc(Cl)c(F)c2)CCCN1c1nccc(C(=O)[O-])n1 ZINC001594040286 997655485 /nfs/dbraw/zinc/65/54/85/997655485.db2.gz ZMFBUILZCVIZSS-KRWDZBQOSA-N -1 0 349.793 3.569 20 0 EHADRM C[C@]1(Cc2ccccc2F)CCCN1C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001594041291 997658372 /nfs/dbraw/zinc/65/83/72/997658372.db2.gz FDBSWFQAPCSKRG-STXHMFSFSA-N -1 0 347.430 3.640 20 0 EHADRM COc1ccc(C)cc1-c1csc(NC(=O)C[C@H](C)CC(=O)[O-])n1 ZINC001599533930 997708610 /nfs/dbraw/zinc/70/86/10/997708610.db2.gz KXZRGLKRVSZTMA-NSHDSACASA-N -1 0 348.424 3.567 20 0 EHADRM COc1ccc(C2(C(=O)Nc3cc(C(=O)[O-])ccc3F)CCC2)cc1 ZINC001599536514 997753872 /nfs/dbraw/zinc/75/38/72/997753872.db2.gz BPCFFZXMOJXMNH-UHFFFAOYSA-N -1 0 343.354 3.593 20 0 EHADRM COc1c(C)cc(Cl)cc1NC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001599331637 997758597 /nfs/dbraw/zinc/75/85/97/997758597.db2.gz OBHSZROZJNNGIK-UHFFFAOYSA-N -1 0 333.771 3.916 20 0 EHADRM COc1ccc(C2CC2)c(NC(=O)NCC2(C(=O)[O-])CCCCC2)c1 ZINC001599537008 997760862 /nfs/dbraw/zinc/76/08/62/997760862.db2.gz IEYPAHQFVOLZQY-UHFFFAOYSA-N -1 0 346.427 3.729 20 0 EHADRM CC1(NC(=O)Nc2cc(C(=O)[O-])ccc2OCc2ccccc2)CC1 ZINC001594053146 997766746 /nfs/dbraw/zinc/76/67/46/997766746.db2.gz PFXYGFLAVOMZPT-UHFFFAOYSA-N -1 0 340.379 3.638 20 0 EHADRM COc1c(C)ccc(N[C@@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)c1C ZINC001599332450 997771120 /nfs/dbraw/zinc/77/11/20/997771120.db2.gz AYMAQBPQGLLWJJ-ZDUSSCGKSA-N -1 0 344.411 3.638 20 0 EHADRM C[C@@]1(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CCCC[C@@H]1C(=O)[O-] ZINC001594055668 997787558 /nfs/dbraw/zinc/78/75/58/997787558.db2.gz HQIOCERHNOZJPF-LUXYFRNMSA-N -1 0 335.831 3.593 20 0 EHADRM C[C@@]1(NC(=O)c2cnc(Cl)c3ccccc23)CCCC[C@H]1C(=O)[O-] ZINC001594055858 997791228 /nfs/dbraw/zinc/79/12/28/997791228.db2.gz KPUMDFCSLMYTKT-KBXCAEBGSA-N -1 0 346.814 3.652 20 0 EHADRM COc1cc(NC(=O)[C@H](C)Cc2cccc(Cl)c2)ccc1C(=O)[O-] ZINC001599433019 997793302 /nfs/dbraw/zinc/79/33/02/997793302.db2.gz CVRPYXSASVVEDK-LLVKDONJSA-N -1 0 347.798 3.864 20 0 EHADRM COc1cc(NC(=O)N(C)[C@@H](C)c2ccc(C)cc2)ccc1C(=O)[O-] ZINC001599434253 997814690 /nfs/dbraw/zinc/81/46/90/997814690.db2.gz VJBAUPBEZCUBBY-ZDUSSCGKSA-N -1 0 342.395 3.927 20 0 EHADRM COc1c(NC(=O)N(C)[C@@H](C)Cc2cccs2)cccc1C(=O)[O-] ZINC001599338672 997883373 /nfs/dbraw/zinc/88/33/73/997883373.db2.gz REXSRGYRJILQRT-NSHDSACASA-N -1 0 348.424 3.550 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccnn2[C@@H](C)CC(C)C)c(C)s1 ZINC000340041510 1016165333 /nfs/dbraw/zinc/16/53/33/1016165333.db2.gz YQTXUSHRWIJQQT-NSHDSACASA-N -1 0 341.502 3.969 20 0 EHADRM COc1c(NC(=O)N2CCC[C@H]2c2ccsc2)cccc1C(=O)[O-] ZINC001599340092 997906850 /nfs/dbraw/zinc/90/68/50/997906850.db2.gz MSLMCIQGKSMLKL-AWEZNQCLSA-N -1 0 346.408 3.824 20 0 EHADRM COCCN(C(=O)Nc1cccc(C(=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC001599233605 997906892 /nfs/dbraw/zinc/90/68/92/997906892.db2.gz YUZUBVZVKQYFAN-AWEZNQCLSA-N -1 0 342.395 3.626 20 0 EHADRM COc1c(NC(=O)N2CCc3ccccc3[C@H]2C)cccc1C(=O)[O-] ZINC001599340203 997909706 /nfs/dbraw/zinc/90/97/06/997909706.db2.gz HAKDITZAUMGJJT-GFCCVEGCSA-N -1 0 340.379 3.545 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1Oc1nc2ccc(F)cc2o1 ZINC001599546035 997924495 /nfs/dbraw/zinc/92/44/95/997924495.db2.gz KNTDFEFKBGDRCA-CLTKARDFSA-N -1 0 329.283 3.866 20 0 EHADRM COC(=O)c1cc(NC(=O)[C@@H](C)CCC(C)(C)C)cc(C(=O)[O-])c1 ZINC001598939407 997936302 /nfs/dbraw/zinc/93/63/02/997936302.db2.gz KOUHUBCKLHLNOX-NSHDSACASA-N -1 0 335.400 3.572 20 0 EHADRM C[C@]1(c2ccccc2)C[C@H]1NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001594076433 997946716 /nfs/dbraw/zinc/94/67/16/997946716.db2.gz IRGJAZQIMKUSEN-YLJYHZDGSA-N -1 0 338.407 3.556 20 0 EHADRM COc1cc(NC(=O)c2ccc(/C=C\C(=O)[O-])o2)cc2ccccc21 ZINC001599442221 997948768 /nfs/dbraw/zinc/94/87/68/997948768.db2.gz LPMLRNUXANIZRT-CLFYSBASSA-N -1 0 337.331 3.792 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OCc1nc(C(C)(C)C)co1 ZINC001599547870 997954662 /nfs/dbraw/zinc/95/46/62/997954662.db2.gz ZRVKDZVKRHXNNF-VURMDHGXSA-N -1 0 331.368 3.658 20 0 EHADRM COc1c(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)ncnc1C(=O)[O-] ZINC001599343073 997954949 /nfs/dbraw/zinc/95/49/49/997954949.db2.gz JPMVEDDGAWPXBK-OASPWFOLSA-N -1 0 347.802 3.646 20 0 EHADRM COc1cc(NC(=O)c2ccsc2C(=O)[O-])cc2ccccc21 ZINC001599442977 997959903 /nfs/dbraw/zinc/95/99/03/997959903.db2.gz QEMDVZCHKQWESH-UHFFFAOYSA-N -1 0 327.361 3.860 20 0 EHADRM C[C@]1(c2ccccc2)CCCN1C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001594079649 997971592 /nfs/dbraw/zinc/97/15/92/997971592.db2.gz LQKMFGRDIUCECO-LJQANCHMSA-N -1 0 327.355 3.675 20 0 EHADRM COc1c(NCc2ccc(-c3ccccc3)c(C)c2)ncnc1C(=O)[O-] ZINC001599344501 997978487 /nfs/dbraw/zinc/97/84/87/997978487.db2.gz LPHNMAWQKYBJGT-UHFFFAOYSA-N -1 0 349.390 3.771 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC000683321527 1016175094 /nfs/dbraw/zinc/17/50/94/1016175094.db2.gz HIDSCMJGOORAQI-UHFFFAOYSA-N -1 0 335.403 3.585 20 0 EHADRM COc1cc(OC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)ccc1C(=O)[O-] ZINC001599446313 998015450 /nfs/dbraw/zinc/01/54/50/998015450.db2.gz XYHVUFNNYFHQCL-ZYHUDNBSSA-N -1 0 346.301 3.668 20 0 EHADRM COC(=O)c1cc(NCc2cc(Cl)ccc2F)ccc1C(=O)[O-] ZINC001598948569 998102840 /nfs/dbraw/zinc/10/28/40/998102840.db2.gz YKBATODFXJGAOT-UHFFFAOYSA-N -1 0 337.734 3.576 20 0 EHADRM COc1cc(C(=O)N(c2ccccc2C(=O)[O-])C2CCC2)ccc1F ZINC001599352110 998113202 /nfs/dbraw/zinc/11/32/02/998113202.db2.gz NFHJBRMNSZTYHM-UHFFFAOYSA-N -1 0 343.354 3.732 20 0 EHADRM COC(=O)c1cc(OC(=O)C[C@@H](C)CC(C)(C)C)cc(C(=O)[O-])c1 ZINC001598949725 998126101 /nfs/dbraw/zinc/12/61/01/998126101.db2.gz DTRFIRUJQLNILN-LLVKDONJSA-N -1 0 336.384 3.539 20 0 EHADRM COc1cc(OCC(=O)Nc2cccc(C(C)C)c2)ccc1C(=O)[O-] ZINC001599455751 998184494 /nfs/dbraw/zinc/18/44/94/998184494.db2.gz JFMRIWFUCCJQCO-UHFFFAOYSA-N -1 0 343.379 3.534 20 0 EHADRM COc1cc(Oc2cc(Br)cc(C)n2)ccc1C(=O)[O-] ZINC001599456041 998190301 /nfs/dbraw/zinc/19/03/01/998190301.db2.gz IMQXKCQXJWWTHX-UHFFFAOYSA-N -1 0 338.157 3.652 20 0 EHADRM COc1cc2c(cc1Cl)CN([C@@H](C(=O)[O-])c1ccc(F)cc1)CC2 ZINC001599463622 998318508 /nfs/dbraw/zinc/31/85/08/998318508.db2.gz QHOYYTCZLDVHOI-QGZVFWFLSA-N -1 0 349.789 3.672 20 0 EHADRM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)C[C@@H](C)CCC=C(C)C)c1 ZINC001598961480 998340464 /nfs/dbraw/zinc/34/04/64/998340464.db2.gz NLSVOBIATWMDBG-ZDUSSCGKSA-N -1 0 347.411 3.883 20 0 EHADRM COc1cc2c(cc1F)CC[C@@H]2Nc1nc(Cl)c(C(=O)[O-])s1 ZINC001599465390 998350863 /nfs/dbraw/zinc/35/08/63/998350863.db2.gz SUXHQJLWNMFDLM-VIFPVBQESA-N -1 0 342.779 3.742 20 0 EHADRM COc1ccc(-c2cc(C(=O)O[C@@H](C)CC(=O)[O-])sc2C)cc1 ZINC001599467846 998395007 /nfs/dbraw/zinc/39/50/07/998395007.db2.gz UAMNSDROYBGFTJ-JTQLQIEISA-N -1 0 334.393 3.752 20 0 EHADRM COC[C@H](C)CC(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001599158023 998407709 /nfs/dbraw/zinc/40/77/09/998407709.db2.gz FSFDFONSIWNAJW-SNVBAGLBSA-N -1 0 345.848 3.518 20 0 EHADRM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)C(CC(C)C)CC(C)C ZINC001598965851 998418610 /nfs/dbraw/zinc/41/86/10/998418610.db2.gz RXVXIKRHUDXQDV-UHFFFAOYSA-N -1 0 349.427 3.818 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1cc2cc(C)ccc2o1 ZINC001599373793 998454793 /nfs/dbraw/zinc/45/47/93/998454793.db2.gz GIRGZEGRXLBVPV-UHFFFAOYSA-N -1 0 325.320 3.700 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)Nc1ccc(O)c(C(C)C)c1 ZINC001599374639 998467677 /nfs/dbraw/zinc/46/76/77/998467677.db2.gz VQVTZDUGKYIAFM-UHFFFAOYSA-N -1 0 344.367 3.866 20 0 EHADRM COc1ccc(Cl)cc1CC(=O)Nc1scc(C(=O)[O-])c1C ZINC001599578955 998494360 /nfs/dbraw/zinc/49/43/60/998494360.db2.gz KDZWEWRUWDVSBD-UHFFFAOYSA-N -1 0 339.800 3.598 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)C1(c2cccc(F)c2)CCC1 ZINC001599377927 998518176 /nfs/dbraw/zinc/51/81/76/998518176.db2.gz OUIISVNEKXOAKC-UHFFFAOYSA-N -1 0 344.338 3.560 20 0 EHADRM COC[C@@H](CS[C@H](C)CC(=O)[O-])c1ccc(Br)cc1 ZINC001599164551 998518196 /nfs/dbraw/zinc/51/81/96/998518196.db2.gz JVVQAEXRCSPWNO-PWSUYJOCSA-N -1 0 347.274 3.776 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001599377894 998518758 /nfs/dbraw/zinc/51/87/58/998518758.db2.gz OJILXYQFHIUVJB-HUUCEWRRSA-N -1 0 344.338 3.632 20 0 EHADRM COC(=O)c1ccc(NCc2ccc(F)c(Cl)c2)cc1C(=O)[O-] ZINC001598984354 998686609 /nfs/dbraw/zinc/68/66/09/998686609.db2.gz LOJWRBXDIFQITP-UHFFFAOYSA-N -1 0 337.734 3.576 20 0 EHADRM COC(=O)c1cccc([C@H](SCc2ccccc2F)C(=O)[O-])c1 ZINC001598992613 998751177 /nfs/dbraw/zinc/75/11/77/998751177.db2.gz BBYNDNVBHRHZQT-HNNXBMFYSA-N -1 0 334.368 3.671 20 0 EHADRM CC1CC(C(=O)NC[C@H](CC2CC2)C(=O)[O-])(c2cccc(Cl)c2)C1 ZINC001594201663 998780860 /nfs/dbraw/zinc/78/08/60/998780860.db2.gz XGISTIXABVOKCK-MMSRSVNZSA-N -1 0 349.858 3.625 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1C(=O)c1ccc(OC(C)(C)C)cc1 ZINC001594207171 998797360 /nfs/dbraw/zinc/79/73/60/998797360.db2.gz XISQEDIBYPVHHY-AGGWBTHJSA-N -1 0 333.428 3.578 20 0 EHADRM C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001594213588 998823610 /nfs/dbraw/zinc/82/36/10/998823610.db2.gz DYHHVOPEFDITDL-ONGXEEELSA-N -1 0 330.306 3.580 20 0 EHADRM C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001594214791 998827495 /nfs/dbraw/zinc/82/74/95/998827495.db2.gz NOJVQAOKGDJACU-PSASIEDQSA-N -1 0 348.296 3.719 20 0 EHADRM C[C@H]1CC(C)(C)c2cccc(NC(=O)N[C@H]3CC=C(C(=O)[O-])C3)c21 ZINC001594216849 998834429 /nfs/dbraw/zinc/83/44/29/998834429.db2.gz JWLNBLYDDBDIID-AAEUAGOBSA-N -1 0 328.412 3.766 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N2C[C@H](C)C[C@H](C)[C@H]2C)cc1)C(=O)[O-] ZINC001594219218 998841412 /nfs/dbraw/zinc/84/14/12/998841412.db2.gz FNCZPLWRPDWSAR-LXTVHRRPSA-N -1 0 332.444 3.848 20 0 EHADRM C[C@H]1CC(C(=O)N2CCCC[C@H]2c2ccc(C(=O)[O-])n2C)C[C@H](C)C1 ZINC001594220162 998846566 /nfs/dbraw/zinc/84/65/66/998846566.db2.gz XBXWCMRUANBYLX-CPUCHLNUSA-N -1 0 346.471 3.849 20 0 EHADRM COC(=O)c1sc(N)c(C(=O)[O-])c1CSCC1CCCCC1 ZINC001599021137 998980179 /nfs/dbraw/zinc/98/01/79/998980179.db2.gz UBGUELWZKMOOHZ-UHFFFAOYSA-N -1 0 343.470 3.629 20 0 EHADRM C[C@@H]1C[C@H](NC(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CCS1 ZINC001594258504 998996061 /nfs/dbraw/zinc/99/60/61/998996061.db2.gz VCYFAZVUANKQDD-VXGBXAGGSA-N -1 0 344.436 3.944 20 0 EHADRM CO[C@H](C)C(=O)Nc1cccc(N[C@H](C)c2cc(C(=O)[O-])cs2)c1 ZINC001599035713 999081874 /nfs/dbraw/zinc/08/18/74/999081874.db2.gz GVOXBPLCFXORAG-GHMZBOCLSA-N -1 0 348.424 3.593 20 0 EHADRM C[C@H]1CC/C(=C\C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)C1 ZINC001594290360 999117226 /nfs/dbraw/zinc/11/72/26/999117226.db2.gz HDOVSRNDOHZOIA-AQFCHVCFSA-N -1 0 347.842 3.713 20 0 EHADRM CO[C@H](C)c1nc(CNc2cc(C(=O)[O-])cc3cccnc32)cs1 ZINC001599041498 999121214 /nfs/dbraw/zinc/12/12/14/999121214.db2.gz BGGLFBDRPFFCBZ-SNVBAGLBSA-N -1 0 343.408 3.709 20 0 EHADRM CO[C@H](C)c1nc(CSC[C@@H]2CCCC[C@H]2C(=O)[O-])cs1 ZINC001599042504 999128008 /nfs/dbraw/zinc/12/80/08/999128008.db2.gz NZQUSUMISCNQPB-NTZNESFSSA-N -1 0 329.487 3.975 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001594292403 999128031 /nfs/dbraw/zinc/12/80/31/999128031.db2.gz KNHWGXOQTYYDRN-GBIKHYSHSA-N -1 0 338.354 3.848 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)Nc2cc3c(cc2C(=O)[O-])OCCCO3)C[C@H]1C ZINC001594297736 999148849 /nfs/dbraw/zinc/14/88/49/999148849.db2.gz ZNSFUMVABIJVCY-UPJWGTAASA-N -1 0 347.411 3.557 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COc1cccc(C(=O)[O-])c1 ZINC001594297909 999149440 /nfs/dbraw/zinc/14/94/40/999149440.db2.gz BYTGFZUHUKXFLI-XYPHTWIQSA-N -1 0 334.412 3.768 20 0 EHADRM C[C@@H]1CC[C@H](C)N1C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001594300039 999159161 /nfs/dbraw/zinc/15/91/61/999159161.db2.gz NKABXPTXMRJMNQ-CWSCBRNRSA-N -1 0 344.333 3.571 20 0 EHADRM C[C@H]1CC[C@@H](CC(=O)Nc2cc(Br)ccc2C(=O)[O-])C1 ZINC001594302265 999168607 /nfs/dbraw/zinc/16/86/07/999168607.db2.gz NEUFRPWQFFCTSA-VHSXEESVSA-N -1 0 340.217 3.912 20 0 EHADRM C[C@@H]1CC[C@H](CC(=O)Nc2cc(Br)ccc2C(=O)[O-])C1 ZINC001594302266 999168799 /nfs/dbraw/zinc/16/87/99/999168799.db2.gz NEUFRPWQFFCTSA-ZJUUUORDSA-N -1 0 340.217 3.912 20 0 EHADRM C[C@@H]1CC[C@@H](CC(=O)N[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1 ZINC001594303207 999173367 /nfs/dbraw/zinc/17/33/67/999173367.db2.gz WNBHFGREKLYVIE-HFAKWTLXSA-N -1 0 343.345 3.774 20 0 EHADRM C[C@@H]1CC[C@H](CC(=O)N[C@@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)C1 ZINC001594303228 999173419 /nfs/dbraw/zinc/17/34/19/999173419.db2.gz WSQSETDDWHOMQR-ZOZBEKFXSA-N -1 0 329.440 3.806 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])[C@@H](C)C1 ZINC001594314470 999216964 /nfs/dbraw/zinc/21/69/64/999216964.db2.gz QDYJDGNLTPDLBJ-OHFALNGGSA-N -1 0 346.471 3.962 20 0 EHADRM C[C@H]1CC[C@](NC(=O)c2cccc(Cl)c2)(C(=O)[O-])c2ccccc21 ZINC001594322442 999242619 /nfs/dbraw/zinc/24/26/19/999242619.db2.gz LYZQQBARFDRTRX-HXPMCKFVSA-N -1 0 343.810 3.947 20 0 EHADRM C[C@@H]1CCC[C@H](CNC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)C1 ZINC001594345766 999309566 /nfs/dbraw/zinc/30/95/66/999309566.db2.gz GGKLVIRXKAKOCE-NEPJUHHUSA-N -1 0 329.400 3.814 20 0 EHADRM C[C@@H]1CCC[C@H](NC(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC001594352810 999336344 /nfs/dbraw/zinc/33/63/44/999336344.db2.gz QUPOCLKVIUBGSX-HIFRSBDPSA-N -1 0 345.443 3.685 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)Nc1cccc(CO[C@H]2CCC[C@@H](C)C2)c1 ZINC001594356105 999343992 /nfs/dbraw/zinc/34/39/92/999343992.db2.gz QXEHBBXEOXOEJS-KEYYUXOJSA-N -1 0 348.443 3.767 20 0 EHADRM C[C@@H]1CCC[C@@H]1CC(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC001594357930 999353780 /nfs/dbraw/zinc/35/37/80/999353780.db2.gz RJCSSBNFBQTUQL-MUKKUYKPSA-N -1 0 325.408 3.908 20 0 EHADRM C[C@@H]1CCCC[C@H]1CC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O ZINC001594363580 999372550 /nfs/dbraw/zinc/37/25/50/999372550.db2.gz HMMLYDVSWNOISK-ZJUUUORDSA-N -1 0 325.792 3.899 20 0 EHADRM C[C@H]1CCCC[C@H]1OCC(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-] ZINC001594370149 999394454 /nfs/dbraw/zinc/39/44/54/999394454.db2.gz DIQZJLICHLLIEC-TVQRCGJNSA-N -1 0 343.782 3.711 20 0 EHADRM C[C@H]1CCCC[C@H]1NC(=S)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC001594370488 999396278 /nfs/dbraw/zinc/39/62/78/999396278.db2.gz HYWYHQJBYLUGMG-GXSJLCMTSA-N -1 0 338.498 3.800 20 0 EHADRM C[C@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])cn2)c2ccccc21 ZINC001594377742 999423421 /nfs/dbraw/zinc/42/34/21/999423421.db2.gz GAJGFFYUHVRRLC-LBPRGKRZSA-N -1 0 325.368 3.716 20 0 EHADRM C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)[C@H](C(=O)[O-])C1 ZINC001594396113 999492188 /nfs/dbraw/zinc/49/21/88/999492188.db2.gz UUPVKWLBTHNALR-MAAHGYRXSA-N -1 0 337.419 3.655 20 0 EHADRM C[C@@H]1CCN(C(=O)CCc2ccc(Cl)c(Cl)c2)[C@@H](C(=O)[O-])C1 ZINC001594400396 999498946 /nfs/dbraw/zinc/49/89/46/999498946.db2.gz GLLDPQDBKXRUTB-QMTHXVAHSA-N -1 0 344.238 3.638 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CC1(C)C ZINC001594403003 999510993 /nfs/dbraw/zinc/51/09/93/999510993.db2.gz NWIGFUPMFAOJJQ-SECBINFHSA-N -1 0 326.343 3.563 20 0 EHADRM CC1CCN(c2ccc(C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])cc2)CC1 ZINC001594434327 999613084 /nfs/dbraw/zinc/61/30/84/999613084.db2.gz NCGFFCKENOTFAJ-KRWDZBQOSA-N -1 0 346.471 3.542 20 0 EHADRM C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4cccnc4C(=O)[O-])cc3c2C1 ZINC001594441605 999627477 /nfs/dbraw/zinc/62/74/77/999627477.db2.gz FQDDCZWHPGRTCM-NSHDSACASA-N -1 0 349.390 3.638 20 0 EHADRM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001594446012 999638977 /nfs/dbraw/zinc/63/89/77/999638977.db2.gz TVGNMABTGRPTGG-DIFFPNOSSA-N -1 0 342.370 3.969 20 0 EHADRM C[C@H]1CN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)c2ccccc2S1 ZINC001594466928 999692051 /nfs/dbraw/zinc/69/20/51/999692051.db2.gz UPQQUEAPGDYTQA-DJYGCBNOSA-N -1 0 329.377 3.518 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655581052 1016464651 /nfs/dbraw/zinc/46/46/51/1016464651.db2.gz UOVLKVDZKOXBSV-MGBSGCIJSA-N -1 0 331.456 3.604 20 0 EHADRM C[C@@H]1C[C@@H](C)[C@H](C(=O)Nc2cc(Br)cc(Cl)c2[O-])O1 ZINC000407966420 1016540137 /nfs/dbraw/zinc/54/01/37/1016540137.db2.gz PHPWKTYGHMYYDB-NQYJQULFSA-N -1 0 348.624 3.560 20 0 EHADRM CC(C)(C)Sc1ccc(NC(=O)c2ccnc(C(=O)[O-])c2)cc1 ZINC000236602457 1016651088 /nfs/dbraw/zinc/65/10/88/1016651088.db2.gz KOWNYKBZTONKCA-UHFFFAOYSA-N -1 0 330.409 3.923 20 0 EHADRM COc1ccc(Nc2c(F)c(F)c(F)c(F)c2F)cc1C(=O)[O-] ZINC001209902325 1016663269 /nfs/dbraw/zinc/66/32/69/1016663269.db2.gz CTFJPASYTXVSSU-UHFFFAOYSA-N -1 0 333.212 3.833 20 0 EHADRM Cc1cccc(C)c1[C@@H]1CCCN1C(=O)NCCC(C)(C)C(=O)[O-] ZINC000659408193 1016665264 /nfs/dbraw/zinc/66/52/64/1016665264.db2.gz OZBSDPYSIUZCMW-HNNXBMFYSA-N -1 0 332.444 3.651 20 0 EHADRM O=C([O-])C1(CNC(=O)N(Cc2cccc(F)c2)C2CCCC2)CCC1 ZINC000659420594 1016679214 /nfs/dbraw/zinc/67/92/14/1016679214.db2.gz IABKHJZKLJACKB-UHFFFAOYSA-N -1 0 348.418 3.535 20 0 EHADRM CC(C)c1cc(C(=O)Nc2cccc(C(=O)[O-])c2)nn1C(C)(C)C ZINC000236618694 1016686930 /nfs/dbraw/zinc/68/69/30/1016686930.db2.gz ZUEFEINXMHKGHI-UHFFFAOYSA-N -1 0 329.400 3.712 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(Br)cc2[O-])c(C)c1O ZINC000179824326 1016882328 /nfs/dbraw/zinc/88/23/28/1016882328.db2.gz XPZLGLZIMBGXCK-UHFFFAOYSA-N -1 0 336.185 3.729 20 0 EHADRM CC/C=C(/C)C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000311665778 1016900675 /nfs/dbraw/zinc/90/06/75/1016900675.db2.gz XLGFVLHTERDNJP-YVMONPNESA-N -1 0 326.190 3.751 20 0 EHADRM O=C(c1cc(O)ccc1Cl)N1CCC(COc2ccccc2)CC1 ZINC000340302281 1016908392 /nfs/dbraw/zinc/90/83/92/1016908392.db2.gz QLJCRUUXFGXKLF-UHFFFAOYSA-N -1 0 345.826 3.977 20 0 EHADRM O=C(NCc1ccc(F)cc1C(F)(F)F)c1ccc(O)cc1F ZINC000181135469 1016909948 /nfs/dbraw/zinc/90/99/48/1016909948.db2.gz FNBYOBSCXPQBDC-UHFFFAOYSA-N -1 0 331.240 3.619 20 0 EHADRM CC(C)COc1ccc(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655584117 1016942465 /nfs/dbraw/zinc/94/24/65/1016942465.db2.gz GOAHUAGNPOYBCP-RRQGHBQHSA-N -1 0 347.455 3.587 20 0 EHADRM C[C@@H]1CN(C(=O)N=c2[n-]nc(-c3ccccc3)s2)[C@@H]2CCCC[C@@H]21 ZINC000547826906 1016959102 /nfs/dbraw/zinc/95/91/02/1016959102.db2.gz AJFYMOVUCPMZKR-BPLDGKMQSA-N -1 0 342.468 3.669 20 0 EHADRM C[C@@H](NC(=O)c1cccc(Cl)c1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655583890 1016965497 /nfs/dbraw/zinc/96/54/97/1016965497.db2.gz CHJIOCTVPOPXOF-DVVUODLYSA-N -1 0 344.238 3.859 20 0 EHADRM O=C([O-])COc1ccc(C(=O)N2CCC[C@H]2CC2CCCCC2)cc1 ZINC000659756670 1016978180 /nfs/dbraw/zinc/97/81/80/1016978180.db2.gz OYVVGZZYWVSVDQ-KRWDZBQOSA-N -1 0 345.439 3.725 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)Cc2ccc(C3CCCCC3)cc2)C1 ZINC000659761710 1016983513 /nfs/dbraw/zinc/98/35/13/1016983513.db2.gz DXAXEPMDLBUCGI-KRWDZBQOSA-N -1 0 343.467 3.990 20 0 EHADRM CC1=CC[C@](C)(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)CC1 ZINC000659767283 1016993587 /nfs/dbraw/zinc/99/35/87/1016993587.db2.gz ZCZMFLGCQVHZEG-XLIONFOSSA-N -1 0 329.440 3.715 20 0 EHADRM O=C([O-])CCCCCNC(=O)N[C@@H](CC(F)(F)F)c1ccccc1 ZINC000414605100 1017007460 /nfs/dbraw/zinc/00/74/60/1017007460.db2.gz BRWVJKWKPZGMGU-ZDUSSCGKSA-N -1 0 346.349 3.624 20 0 EHADRM CCN(C(=O)c1sc2cc(F)ccc2c1Cl)[C@H](C)C(=O)[O-] ZINC000659775436 1017010368 /nfs/dbraw/zinc/01/03/68/1017010368.db2.gz MMKMKQCENRBJGF-SSDOTTSWSA-N -1 0 329.780 3.629 20 0 EHADRM CCC[C@H](C)N(C)C(=O)N=c1[n-]nc(-c2cc(F)ccc2C)s1 ZINC000471317789 1017037467 /nfs/dbraw/zinc/03/74/67/1017037467.db2.gz QNQYZZIOYGGKOD-NSHDSACASA-N -1 0 336.436 3.727 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cn1)c1ccc(C(F)(F)F)s1 ZINC000461108523 1032257611 /nfs/dbraw/zinc/25/76/11/1032257611.db2.gz NAWFTPLLJKVDIN-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM C/C(=C/C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1Cl ZINC000236624276 1017079656 /nfs/dbraw/zinc/07/96/56/1017079656.db2.gz MNHIPBKADLXYIK-FZDNWWAKSA-N -1 0 335.831 3.847 20 0 EHADRM Cc1c2ccccc2oc1[C@H](NC(=O)N(C)CCCC(=O)[O-])C(C)C ZINC000414622363 1017071431 /nfs/dbraw/zinc/07/14/31/1017071431.db2.gz VZTKLLNUILDSDU-QGZVFWFLSA-N -1 0 346.427 3.945 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1nccnc1OCc1ccccc1 ZINC001211616275 1032274051 /nfs/dbraw/zinc/27/40/51/1032274051.db2.gz FLTCWKLJSSUVLE-UHFFFAOYSA-N -1 0 335.363 3.806 20 0 EHADRM COc1ccc(-c2cc(Nc3ccc(C(=O)[O-])cc3C)n(C)n2)cc1 ZINC001211616323 1032278904 /nfs/dbraw/zinc/27/89/04/1032278904.db2.gz HWBZMJRAFQVOBG-UHFFFAOYSA-N -1 0 337.379 3.846 20 0 EHADRM COc1ccc(Cn2nccc2Nc2ccc(C(=O)[O-])cc2C)cc1 ZINC001211616757 1032285227 /nfs/dbraw/zinc/28/52/27/1032285227.db2.gz WJNFGVDQCFKQKC-UHFFFAOYSA-N -1 0 337.379 3.690 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1-n1ncc(-c2cccc(Cl)c2)c1N ZINC001211616704 1032285519 /nfs/dbraw/zinc/28/55/19/1032285519.db2.gz VBEDOJRZHYUKNV-UHFFFAOYSA-N -1 0 327.771 3.782 20 0 EHADRM O=S(=O)([N-]c1cc2c(cn1)CCCC2)c1ccc2ccccc2c1 ZINC000461221201 1032339705 /nfs/dbraw/zinc/33/97/05/1032339705.db2.gz QUZATTXSAKPNMH-UHFFFAOYSA-N -1 0 338.432 3.914 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)c2c(C)coc2CC(=O)[O-])s1 ZINC000455840246 1032382946 /nfs/dbraw/zinc/38/29/46/1032382946.db2.gz DRDDCBLYKVGERU-GFCCVEGCSA-N -1 0 333.409 3.562 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccccc2)nn1-c1cc(C)cc(C)c1 ZINC000538495480 1032399221 /nfs/dbraw/zinc/39/92/21/1032399221.db2.gz HFRCHJWVZGLFHX-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1cc2ccccc2[nH]c1=O ZINC000185470490 1032399644 /nfs/dbraw/zinc/39/96/44/1032399644.db2.gz GBBMWZCUVINOII-UHFFFAOYSA-N -1 0 349.173 3.793 20 0 EHADRM COCC[C@H](Cc1cccc(-c2ccc(OC)c(OC)c2)c1)C(=O)[O-] ZINC000584422203 1032501602 /nfs/dbraw/zinc/50/16/02/1032501602.db2.gz PSYSRBMSXIVYAL-QGZVFWFLSA-N -1 0 344.407 3.651 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)/C=C\c2c(Cl)cccc2Cl)C1 ZINC000314822729 1032552675 /nfs/dbraw/zinc/55/26/75/1032552675.db2.gz DPOKYSAZZYYASK-ZADCQDASSA-N -1 0 342.222 3.720 20 0 EHADRM C[C@@H](S[C@H](C)C(=O)Nc1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000601988756 1032583341 /nfs/dbraw/zinc/58/33/41/1032583341.db2.gz VJBYMOZTFAFMQO-VXGBXAGGSA-N -1 0 337.441 3.541 20 0 EHADRM CC(C)[C@H](NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000601990379 1032584038 /nfs/dbraw/zinc/58/40/38/1032584038.db2.gz ZBXBFMANTQRBLJ-MJVIPROJSA-N -1 0 343.876 3.748 20 0 EHADRM CN(CC1CCCCC1)C(=O)c1cccc(Br)c1[O-] ZINC000592831165 1032584373 /nfs/dbraw/zinc/58/43/73/1032584373.db2.gz FBSPNMBRFSAESI-UHFFFAOYSA-N -1 0 326.234 3.807 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1cccc2c1ccn2C(F)F ZINC000601993308 1032585479 /nfs/dbraw/zinc/58/54/79/1032585479.db2.gz NDLUJRJZVQJRGH-BDAKNGLRSA-N -1 0 342.367 3.570 20 0 EHADRM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@H](C)S[C@H](C)C(=O)[O-] ZINC000601999341 1032587100 /nfs/dbraw/zinc/58/71/00/1032587100.db2.gz WEPCFYPXRHZYSR-ABFRBSLYSA-N -1 0 349.496 3.766 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2C(=O)[C@H](C)S[C@@H](C)C(=O)[O-])cc1 ZINC000601994101 1032587390 /nfs/dbraw/zinc/58/73/90/1032587390.db2.gz LMJHMADZJRFCCQ-DZKIICNBSA-N -1 0 335.469 3.643 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)N[C@@H]1C[C@@H]2CCC(C)(C)c3cccc1c32 ZINC000414642284 1017102246 /nfs/dbraw/zinc/10/22/46/1017102246.db2.gz LZRSRLVHOGEDTC-XJKSGUPXSA-N -1 0 344.455 3.793 20 0 EHADRM COc1ccc2c(c1)C(=O)/C(=C/c1cccc(C(=O)[O-])c1Cl)CO2 ZINC000188735501 1032606196 /nfs/dbraw/zinc/60/61/96/1032606196.db2.gz VTNABDGUWKTEEH-YRNVUSSQSA-N -1 0 344.750 3.706 20 0 EHADRM CCN(Cc1ccccc1)C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000460134219 1032609317 /nfs/dbraw/zinc/60/93/17/1032609317.db2.gz QEOQHIWHWULQPW-UHFFFAOYSA-N -1 0 344.465 3.743 20 0 EHADRM CCN(CC(C)C)C(=O)N=c1[n-]nc(C(C)(C)c2ccccc2)s1 ZINC000592927037 1032613920 /nfs/dbraw/zinc/61/39/20/1032613920.db2.gz CGTFQAHNZGCVJF-UHFFFAOYSA-N -1 0 346.500 3.796 20 0 EHADRM CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000592974907 1032620464 /nfs/dbraw/zinc/62/04/64/1032620464.db2.gz BNCVWGPGTRVODY-UHFFFAOYSA-N -1 0 347.415 3.695 20 0 EHADRM CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)NCCCC(=O)[O-] ZINC000414623582 1017073546 /nfs/dbraw/zinc/07/35/46/1017073546.db2.gz HPFGCGLGZJKKCX-OAHLLOKOSA-N -1 0 326.824 3.543 20 0 EHADRM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C(F)(F)F ZINC000683465806 1017231472 /nfs/dbraw/zinc/23/14/72/1017231472.db2.gz FZMCOEJOYJVRQD-TVQRCGJNSA-N -1 0 335.347 3.688 20 0 EHADRM CCCCCCN(Cc1ccco1)C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000890939317 1017403067 /nfs/dbraw/zinc/40/30/67/1017403067.db2.gz CSJKXCJDSAKGNH-UHFFFAOYSA-N -1 0 343.383 3.744 20 0 EHADRM O=C(OC[C@@H]1C[C@H]2CCC[C@@H]2O1)c1cccc2[nH]c(C(F)F)nc21 ZINC000924085850 1017476403 /nfs/dbraw/zinc/47/64/03/1017476403.db2.gz VEJPICJPSAZDED-NRUUGDAUSA-N -1 0 336.338 3.615 20 0 EHADRM CCC(CC)(CC(=O)Nc1ccc(C)cc1Br)C(=O)[O-] ZINC000011252928 1017496955 /nfs/dbraw/zinc/49/69/55/1017496955.db2.gz CYXLQQYXKJHYOT-UHFFFAOYSA-N -1 0 342.233 3.977 20 0 EHADRM CCCCC[C@H](C(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1)C(C)C ZINC000756229008 1017615643 /nfs/dbraw/zinc/61/56/43/1017615643.db2.gz XDGIEZPAIUVSPX-ZDUSSCGKSA-N -1 0 347.427 3.622 20 0 EHADRM CCc1n[n-]c(=NC(=O)N2CC[C@@H](c3ccccc3)[C@H](CC)C2)s1 ZINC000472762622 1017763201 /nfs/dbraw/zinc/76/32/01/1017763201.db2.gz MAVYFNWBASCHJN-UKRRQHHQSA-N -1 0 344.484 3.570 20 0 EHADRM CCCN(C(=O)NC[C@H](C)C(=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000655889220 1017864689 /nfs/dbraw/zinc/86/46/89/1017864689.db2.gz SWKNKZBEZGJCPL-QWHCGFSZSA-N -1 0 332.400 3.636 20 0 EHADRM O=C(CCc1cccc(O)c1)Nc1cc(Cl)cc(Cl)c1[O-] ZINC001137572756 1018031500 /nfs/dbraw/zinc/03/15/00/1018031500.db2.gz HZDYBYJFUUGSPX-UHFFFAOYSA-N -1 0 326.179 3.976 20 0 EHADRM CCC[C@@H](C)C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000311979153 1018250595 /nfs/dbraw/zinc/25/05/95/1018250595.db2.gz OGDZPZBJMDIFLK-MRVPVSSYSA-N -1 0 328.206 3.830 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)c1 ZINC000659137921 1018350086 /nfs/dbraw/zinc/35/00/86/1018350086.db2.gz NKXXWDJRSARVAE-WFASDCNBSA-N -1 0 327.302 3.678 20 0 EHADRM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000261960299 1018721554 /nfs/dbraw/zinc/72/15/54/1018721554.db2.gz AOXBIHLYVAVVJR-FXAINCCUSA-N -1 0 330.211 3.624 20 0 EHADRM O=S(=O)([O-])c1ccc2ccc(Nc3cc(O)ccc3F)cc2c1 ZINC001210803022 1018770215 /nfs/dbraw/zinc/77/02/15/1018770215.db2.gz WVGFZULKCSALPP-UHFFFAOYSA-N -1 0 333.340 3.675 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)NC[C@@]1(Cc2ccccc2)C=CCCC1 ZINC000630314558 1018876672 /nfs/dbraw/zinc/87/66/72/1018876672.db2.gz UCDQEXJIOQGRJZ-JXFKEZNVSA-N -1 0 329.440 3.573 20 0 EHADRM Cc1cccc(C[C@@]2(C)CCCN2C(=O)c2cc(C(=O)[O-])co2)c1 ZINC000630340157 1018925849 /nfs/dbraw/zinc/92/58/49/1018925849.db2.gz FIWCVHWJLUDUSY-LJQANCHMSA-N -1 0 327.380 3.524 20 0 EHADRM CCCC[C@@H](NC(=O)Nc1ccc2oc(C(C)C)nc2c1)C(=O)[O-] ZINC000571473484 1018990859 /nfs/dbraw/zinc/99/08/59/1018990859.db2.gz FTVVDVCZXJYJGC-GFCCVEGCSA-N -1 0 333.388 3.716 20 0 EHADRM COc1ccc(C(=O)[O-])cc1NCc1cnc(-c2ccccn2)s1 ZINC000340670937 1019145155 /nfs/dbraw/zinc/14/51/55/1019145155.db2.gz GSPRWPBOYHEWSI-UHFFFAOYSA-N -1 0 341.392 3.524 20 0 EHADRM COc1cc(C(=O)[O-])cc(NCc2ccc(SC)cc2)c1OC ZINC000340675707 1019157304 /nfs/dbraw/zinc/15/73/04/1019157304.db2.gz JSRZRMJBAWJQPR-UHFFFAOYSA-N -1 0 333.409 3.736 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)CCCC(C)(C)C)c1C ZINC000729068234 1019172337 /nfs/dbraw/zinc/17/23/37/1019172337.db2.gz ZKAZOKRZWJVZIJ-UHFFFAOYSA-N -1 0 339.501 3.942 20 0 EHADRM COc1ccc(-c2n[nH]cc2CNc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000340680146 1019216529 /nfs/dbraw/zinc/21/65/29/1019216529.db2.gz NLYAEUWYHDTHAV-UHFFFAOYSA-N -1 0 337.379 3.704 20 0 EHADRM Cc1ccc(C2(CNC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])CCC2)cc1C ZINC000683922050 1019247679 /nfs/dbraw/zinc/24/76/79/1019247679.db2.gz JYDHHKOEDIVOGZ-MSOLQXFVSA-N -1 0 341.451 3.508 20 0 EHADRM O=C([N-]S(=O)(=O)Cc1ccccc1)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000050205096 1019264934 /nfs/dbraw/zinc/26/49/34/1019264934.db2.gz FDEAYKFATCPKOL-CVEARBPZSA-N -1 0 349.839 3.930 20 0 EHADRM CSc1c(F)cc(NC(=O)N([C@@H](C)C(=O)[O-])C2CCC2)cc1F ZINC000580396068 1019268283 /nfs/dbraw/zinc/26/82/83/1019268283.db2.gz URULNUKOZCNZAZ-QMMMGPOBSA-N -1 0 344.383 3.546 20 0 EHADRM CCCc1nc(=NC(=O)N[C@@H](c2ccccc2)C2CCC2)s[n-]1 ZINC000562906922 1032820577 /nfs/dbraw/zinc/82/05/77/1032820577.db2.gz YNALWOIMTLFXLB-HNNXBMFYSA-N -1 0 330.457 3.575 20 0 EHADRM CCC[C@@H](C(=O)[O-])[S@@](=O)Cc1nc(C2CCCCC2)cs1 ZINC000580409757 1019314853 /nfs/dbraw/zinc/31/48/53/1019314853.db2.gz MAIZIUISAGSYHQ-ZSEKCTLFSA-N -1 0 329.487 3.693 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)NCc1ccc(Oc2ccccc2)cc1 ZINC000656232952 1019470055 /nfs/dbraw/zinc/47/00/55/1019470055.db2.gz QQMBMSCDXGRHAY-CQSZACIVSA-N -1 0 327.380 3.596 20 0 EHADRM C[C@@H](CNC(=O)C[C@H](C)CC(=O)[O-])c1c(Cl)cccc1Cl ZINC000656233544 1019480798 /nfs/dbraw/zinc/48/07/98/1019480798.db2.gz DOLWZBPDMMMJIK-UWVGGRQHSA-N -1 0 332.227 3.714 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000548106583 1019544904 /nfs/dbraw/zinc/54/49/04/1019544904.db2.gz KZIHDCHZNBMUTF-ULKQDVFKSA-N -1 0 325.767 3.519 20 0 EHADRM Cc1cc(S(=O)(=O)[O-])c(Nc2cnccc2Cl)cc1Cl ZINC001211211199 1019639536 /nfs/dbraw/zinc/63/95/36/1019639536.db2.gz WYXQLBBQZJPJTR-UHFFFAOYSA-N -1 0 333.196 3.687 20 0 EHADRM C[C@@H](Sc1ccc(NCc2nc3c(s2)CCC3)cc1)C(=O)[O-] ZINC000669481382 1032843956 /nfs/dbraw/zinc/84/39/56/1032843956.db2.gz DAJOOPKTGIITKA-SNVBAGLBSA-N -1 0 334.466 3.809 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000262483374 1019643578 /nfs/dbraw/zinc/64/35/78/1019643578.db2.gz IEQKWPBTYWNHTG-UHFFFAOYSA-N -1 0 341.407 3.927 20 0 EHADRM Cc1cc(-c2ccc(CCC(=O)[O-])cc2)ccc1O[C@H]1CCOC1 ZINC000580570928 1019663731 /nfs/dbraw/zinc/66/37/31/1019663731.db2.gz RAUZTRMJURHCJJ-SFHVURJKSA-N -1 0 326.392 3.847 20 0 EHADRM CSCc1ccc([N-]S(=O)(=O)c2cccc(C)c2F)cc1 ZINC000513447251 1019668524 /nfs/dbraw/zinc/66/85/24/1019668524.db2.gz KRDVEDNYRXMJCT-UHFFFAOYSA-N -1 0 325.430 3.798 20 0 EHADRM CC(F)(F)c1cccc([N-]S(=O)(=O)c2cncc(Cl)c2)c1 ZINC000436172635 1019682491 /nfs/dbraw/zinc/68/24/91/1019682491.db2.gz AABCLRRKDYHVBC-UHFFFAOYSA-N -1 0 332.759 3.648 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@H](C)Cc2cccc(Cl)c2)cc1C(=O)[O-] ZINC000262791083 1019732751 /nfs/dbraw/zinc/73/27/51/1019732751.db2.gz PSCIYRWHTFISRP-LLVKDONJSA-N -1 0 349.814 3.777 20 0 EHADRM O=C([O-])c1ccccc1-c1ccccc1C(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000262904465 1019763231 /nfs/dbraw/zinc/76/32/31/1019763231.db2.gz IZFGQILBJLBMCM-HUUCEWRRSA-N -1 0 335.403 3.924 20 0 EHADRM CC(C)c1ccc(CCC(=O)N2CC[C@@](C(=O)[O-])(C(C)C)C2)cc1 ZINC000262939368 1019772825 /nfs/dbraw/zinc/77/28/25/1019772825.db2.gz PSSYXCWHUUBXGZ-FQEVSTJZSA-N -1 0 331.456 3.702 20 0 EHADRM CC[C@H](C(=O)Nc1ccc(C(=O)[O-])c(OC)c1)c1ccc(OC)cc1 ZINC000263008028 1019787872 /nfs/dbraw/zinc/78/78/72/1019787872.db2.gz RUVGIEGCQCHGEH-HNNXBMFYSA-N -1 0 343.379 3.534 20 0 EHADRM CC(C)(CC(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1)C(F)(F)F ZINC000263108455 1019817907 /nfs/dbraw/zinc/81/79/07/1019817907.db2.gz JMDSRNFISUJNHD-UHFFFAOYSA-N -1 0 342.317 3.643 20 0 EHADRM O=C(Nc1nnc(/C=C\c2ccco2)s1)c1ccc([O-])c(Cl)c1 ZINC000255713415 1019907076 /nfs/dbraw/zinc/90/70/76/1019907076.db2.gz JHWBWRJJPVIGGM-XQRVVYSFSA-N -1 0 347.783 3.913 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)[C@H](C)c1c(F)cccc1F ZINC000263479632 1019913844 /nfs/dbraw/zinc/91/38/44/1019913844.db2.gz AGOZXIATFOWLFN-MLGOLLRUSA-N -1 0 347.361 3.709 20 0 EHADRM CC(=O)c1ccccc1[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000760335502 1032870243 /nfs/dbraw/zinc/87/02/43/1032870243.db2.gz QSYWKBMRVTTXPM-UHFFFAOYSA-N -1 0 347.367 3.884 20 0 EHADRM O=C(N[C@H]1CCCc2c(F)cc(F)cc21)c1s[n-]c(=O)c1Cl ZINC000574271995 1032874136 /nfs/dbraw/zinc/87/41/36/1032874136.db2.gz KRTHTNPYGMQICT-JTQLQIEISA-N -1 0 344.770 3.588 20 0 EHADRM O=C(c1ccc(Br)c(O)c1)N(CC(F)F)CC1CCC1 ZINC000345283812 1020111735 /nfs/dbraw/zinc/11/17/35/1020111735.db2.gz JPAQJGRNLLAUJU-UHFFFAOYSA-N -1 0 348.187 3.662 20 0 EHADRM CC[C@@H]1CCCCCN1C(=O)N=c1[n-]nc(Cc2ccccc2)s1 ZINC000606934713 1032886332 /nfs/dbraw/zinc/88/63/32/1032886332.db2.gz JXQFQSURXURVSD-OAHLLOKOSA-N -1 0 344.484 3.737 20 0 EHADRM CC(C)N(Cc1cccc(Cl)c1)C(=O)N=c1ncn(C(C)(C)C)[n-]1 ZINC000345582864 1020375297 /nfs/dbraw/zinc/37/52/97/1020375297.db2.gz HMMVNAMWMSMOAG-UHFFFAOYSA-N -1 0 349.866 3.551 20 0 EHADRM O=C(Cc1cccc2cccnc21)Nc1cc(Cl)c([O-])cc1F ZINC000345592828 1020380935 /nfs/dbraw/zinc/38/09/35/1020380935.db2.gz SYEXTUTVDCQEEC-UHFFFAOYSA-N -1 0 330.746 3.914 20 0 EHADRM O=S(=O)([N-]c1cccc(-c2cnco2)c1)c1ccccc1Cl ZINC000048230558 1020383554 /nfs/dbraw/zinc/38/35/54/1020383554.db2.gz DAIWQEYUNPPMBX-UHFFFAOYSA-N -1 0 334.784 3.796 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000208612494 1020389060 /nfs/dbraw/zinc/38/90/60/1020389060.db2.gz OPHFIAPOXJCMOK-KMKOMSMNSA-N -1 0 346.180 3.799 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1ccoc1Br ZINC000345625451 1020401971 /nfs/dbraw/zinc/40/19/71/1020401971.db2.gz OKSVTAGSJGHCFA-UHFFFAOYSA-N -1 0 334.528 3.793 20 0 EHADRM O=C(CCCc1ccc(O)c(F)c1)N1CCC[C@H]1[C@@H]1CCCCC1=O ZINC000345770614 1020500689 /nfs/dbraw/zinc/50/06/89/1020500689.db2.gz HXNIFRCOIMPSQP-RDJZCZTQSA-N -1 0 347.430 3.604 20 0 EHADRM O=C([O-])[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)CC1CCCC1 ZINC000345773800 1020502755 /nfs/dbraw/zinc/50/27/55/1020502755.db2.gz AWKYDSSIZKPUAC-AWEZNQCLSA-N -1 0 344.238 3.686 20 0 EHADRM O=C([O-])CC1(CC(=O)NCc2ccc3ncccc3c2)CCCCC1 ZINC000280656930 1020549056 /nfs/dbraw/zinc/54/90/56/1020549056.db2.gz TTZOIDMIQXMRGP-UHFFFAOYSA-N -1 0 340.423 3.666 20 0 EHADRM CC(C)CC1(C(=O)Nc2ccc3c(ccn3CC(=O)[O-])c2)CCC1 ZINC000345899264 1020597589 /nfs/dbraw/zinc/59/75/89/1020597589.db2.gz GLTJVWXMEQLWQR-UHFFFAOYSA-N -1 0 328.412 3.881 20 0 EHADRM CC(C)[C@H](NC(=O)C[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1F ZINC000656485696 1020707731 /nfs/dbraw/zinc/70/77/31/1020707731.db2.gz DNSJZZJZEBYPSM-APWZRJJASA-N -1 0 343.398 3.898 20 0 EHADRM CC[C@H](C)c1ncc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cn1 ZINC000340979754 1020742309 /nfs/dbraw/zinc/74/23/09/1020742309.db2.gz YEMLYZGYHBEPMY-JTQLQIEISA-N -1 0 341.383 3.729 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)Nc1ccc2c(c1)C=CCCC2)C1CC1 ZINC000656505662 1020766930 /nfs/dbraw/zinc/76/69/30/1020766930.db2.gz BOIQLMSDAULODM-QGZVFWFLSA-N -1 0 328.412 3.896 20 0 EHADRM Cc1ccc(C)c(C(=O)NC[C@@H]2CCCCC2(F)F)c1C(=O)[O-] ZINC000389749262 1020846369 /nfs/dbraw/zinc/84/63/69/1020846369.db2.gz VAXYPLHVEYBLTL-LBPRGKRZSA-N -1 0 325.355 3.557 20 0 EHADRM Cc1[nH]c(=S)sc1CC(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000760427718 1032945736 /nfs/dbraw/zinc/94/57/36/1032945736.db2.gz VWVSFKAQXZFZLE-UHFFFAOYSA-N -1 0 349.264 3.934 20 0 EHADRM C[C@@H](N=c1[n-]nc(C2CC2)s1)c1ccc(Br)cc1F ZINC000341118671 1020979856 /nfs/dbraw/zinc/97/98/56/1020979856.db2.gz BSQLRUYXSRMYDB-SSDOTTSWSA-N -1 0 342.237 3.912 20 0 EHADRM Cc1ccc(NC(=O)N2CCC(CCC(=O)[O-])CC2)cc1OC(C)C ZINC000656604392 1020991443 /nfs/dbraw/zinc/99/14/43/1020991443.db2.gz UIILBPCZHWWPAA-UHFFFAOYSA-N -1 0 348.443 3.891 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)N=c1[n-]ncs1)c1ccc(Cl)cc1 ZINC000341161156 1021032620 /nfs/dbraw/zinc/03/26/20/1021032620.db2.gz CQECGUCUUQMVJJ-LBPRGKRZSA-N -1 0 338.864 3.912 20 0 EHADRM Cc1cc(F)ccc1CN(C)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000754700372 1021061702 /nfs/dbraw/zinc/06/17/02/1021061702.db2.gz SSLJIHOMUXQYQU-UHFFFAOYSA-N -1 0 330.384 3.836 20 0 EHADRM CSc1cc(Cl)ccc1[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC000656632185 1021066160 /nfs/dbraw/zinc/06/61/60/1021066160.db2.gz AWKHSZKKWPGVOV-UHFFFAOYSA-N -1 0 345.877 3.640 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCOC3)c1Cl ZINC000656645738 1021080686 /nfs/dbraw/zinc/08/06/86/1021080686.db2.gz RCYIBGKXDCOYKW-UHFFFAOYSA-N -1 0 337.828 3.522 20 0 EHADRM O=S(=O)([N-]c1ccn(-c2ccccc2)n1)c1cccc(C(F)F)c1 ZINC000780371428 1021119026 /nfs/dbraw/zinc/11/90/26/1021119026.db2.gz YAEUMSJYQLOLJM-UHFFFAOYSA-N -1 0 349.362 3.611 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(NC[C@@H]3CCCSC3)c12 ZINC000581610545 1021149711 /nfs/dbraw/zinc/14/97/11/1021149711.db2.gz SEMVSTLUMIDREH-JTQLQIEISA-N -1 0 337.470 3.561 20 0 EHADRM Cc1ccc([C@@H]2CCN(C(=O)c3c([O-])cc(F)cc3F)C2)c(C)c1 ZINC000684337967 1021156906 /nfs/dbraw/zinc/15/69/06/1021156906.db2.gz KUONUUTYLNBETD-CYBMUJFWSA-N -1 0 331.362 3.917 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)c1sc2cccc(F)c2c1Cl ZINC000909654022 1032961077 /nfs/dbraw/zinc/96/10/77/1032961077.db2.gz PNSGPNRXDXHSFG-RQJHMYQMSA-N -1 0 329.780 3.533 20 0 EHADRM O=C([O-])c1cn(CC(=O)Nc2cccc(Cl)c2)c2ccccc12 ZINC000319869574 1021213039 /nfs/dbraw/zinc/21/30/39/1021213039.db2.gz SWLGKMHJSTYFDY-UHFFFAOYSA-N -1 0 328.755 3.632 20 0 EHADRM CCc1ccc(C)nc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000656737440 1021231037 /nfs/dbraw/zinc/23/10/37/1021231037.db2.gz GIXOXGDAGQFTQV-UHFFFAOYSA-N -1 0 344.358 3.772 20 0 EHADRM Cc1cc(F)ccc1C1CCN(C(=O)c2ccc(F)cc2[O-])CC1 ZINC000436789568 1021232881 /nfs/dbraw/zinc/23/28/81/1021232881.db2.gz FAOXZNBPOMFXCD-UHFFFAOYSA-N -1 0 331.362 3.999 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(F)c(F)c1[O-] ZINC001625988455 1032968406 /nfs/dbraw/zinc/96/84/06/1032968406.db2.gz XMKVFGIFWLLHFU-GYSYKLTISA-N -1 0 327.371 3.983 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]C(=O)CCc2ccc(C)cc2C)cc1 ZINC000048582276 1021285241 /nfs/dbraw/zinc/28/52/41/1021285241.db2.gz ZMZQRFRTVMKSTB-UHFFFAOYSA-N -1 0 347.436 3.590 20 0 EHADRM CC[C@H]1CN(C(=O)c2cccc(OC)c2O)c2cccc(Cl)c2O1 ZINC000436840813 1021285040 /nfs/dbraw/zinc/28/50/40/1021285040.db2.gz RUNFGDALQZKSNM-NSHDSACASA-N -1 0 347.798 3.872 20 0 EHADRM Cc1nc(C)c(NC(=O)c2cc(F)cc(Br)c2[O-])s1 ZINC000436851854 1021295269 /nfs/dbraw/zinc/29/52/69/1021295269.db2.gz MVMXEXKTDCCURA-UHFFFAOYSA-N -1 0 345.193 3.619 20 0 EHADRM Cc1ccc2cccc(NC(=O)c3nn(-c4ccccc4)cc3[O-])c2n1 ZINC000439254830 1021300979 /nfs/dbraw/zinc/30/09/79/1021300979.db2.gz GEFRNTORXHHSIQ-UHFFFAOYSA-N -1 0 344.374 3.687 20 0 EHADRM COc1cc(-c2ccc(C3(C(=O)[O-])CC3)cc2)cnc1C(F)(F)F ZINC000515870758 1032969363 /nfs/dbraw/zinc/96/93/63/1032969363.db2.gz YKRLMXVPTCIEON-UHFFFAOYSA-N -1 0 337.297 3.892 20 0 EHADRM Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000436873856 1021316375 /nfs/dbraw/zinc/31/63/75/1021316375.db2.gz TUSKAQXMXUMPEC-UHFFFAOYSA-N -1 0 329.306 3.621 20 0 EHADRM CC(C)(c1n[n-]c(=NC(=O)N2CCCCCC2)s1)c1ccccc1 ZINC000518580359 1021336641 /nfs/dbraw/zinc/33/66/41/1021336641.db2.gz TYSPNKSYADATPY-UHFFFAOYSA-N -1 0 344.484 3.694 20 0 EHADRM O=C(N[C@@H](c1ccccc1)C(F)F)c1cc(F)c([O-])c(Cl)c1 ZINC000436889231 1021341506 /nfs/dbraw/zinc/34/15/06/1021341506.db2.gz VLLMLXUSPLDGDE-LBPRGKRZSA-N -1 0 329.705 3.921 20 0 EHADRM Cc1cc(C(=O)Nc2cc(F)cc(Cl)c2[O-])nn1[C@H](C)C1CC1 ZINC000436908277 1021351555 /nfs/dbraw/zinc/35/15/55/1021351555.db2.gz VIGZMDVAZANYQX-SECBINFHSA-N -1 0 337.782 3.913 20 0 EHADRM O=C(NCCc1csc(-c2ccccc2)n1)c1ccc(F)cc1[O-] ZINC000436901599 1021366353 /nfs/dbraw/zinc/36/63/53/1021366353.db2.gz HHZHPORSQQUEHA-UHFFFAOYSA-N -1 0 342.395 3.627 20 0 EHADRM Cc1cc(Cl)ccc1NC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000326270031 1021376436 /nfs/dbraw/zinc/37/64/36/1021376436.db2.gz VCUFVSWCOZMPOD-INIZCTEOSA-N -1 0 344.798 3.692 20 0 EHADRM CCCCOC1CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)CC1 ZINC000436923449 1021384328 /nfs/dbraw/zinc/38/43/28/1021384328.db2.gz CKBNAVPVXWSHDB-UHFFFAOYSA-N -1 0 329.799 3.606 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)C[C@@H]2CCCc3ccccc32)s[n-]1 ZINC000518651874 1021401655 /nfs/dbraw/zinc/40/16/55/1021401655.db2.gz NCNPUZGQYPBABB-ZDUSSCGKSA-N -1 0 329.469 3.706 20 0 EHADRM CN(C(=O)c1ccc([O-])c(Cl)c1)[C@H](c1ncc[nH]1)c1ccccc1 ZINC000436962645 1021412023 /nfs/dbraw/zinc/41/20/23/1021412023.db2.gz OQVMPCPDCXIMMR-INIZCTEOSA-N -1 0 341.798 3.630 20 0 EHADRM COc1ccc(C(=O)Nc2cc(OC)c(C(C)C)c(OC)c2)c(O)c1 ZINC000436964979 1021412828 /nfs/dbraw/zinc/41/28/28/1021412828.db2.gz HGLFYRUCRXNHBD-UHFFFAOYSA-N -1 0 345.395 3.794 20 0 EHADRM O=C(NCC[C@H](c1ccccc1)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000436953993 1021419360 /nfs/dbraw/zinc/41/93/60/1021419360.db2.gz CSAAWDUDDXFKPP-CQSZACIVSA-N -1 0 341.304 3.997 20 0 EHADRM CCCN(C(=O)c1cc(F)c([O-])c(F)c1)[C@H]1CCCc2cccnc21 ZINC000436956124 1021421660 /nfs/dbraw/zinc/42/16/60/1021421660.db2.gz OTYRIHLJGGRXAB-INIZCTEOSA-N -1 0 346.377 3.995 20 0 EHADRM O=C(Nc1ccc(OCC(F)F)cc1)c1ccc([O-])c(Cl)c1 ZINC000436980772 1021436968 /nfs/dbraw/zinc/43/69/68/1021436968.db2.gz OZBHMGVLDKCCMH-UHFFFAOYSA-N -1 0 327.714 3.942 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)NC[C@@H]1CCCC(F)(F)C1)C1CCCCC1 ZINC000507691179 1021443829 /nfs/dbraw/zinc/44/38/29/1021443829.db2.gz DNCYQQZALLYPNY-CXAGYDPISA-N -1 0 345.430 3.989 20 0 EHADRM C[C@H](c1ccco1)N(C)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000436995193 1021450965 /nfs/dbraw/zinc/45/09/65/1021450965.db2.gz ACXVPZXAVDMPAI-MRVPVSSYSA-N -1 0 342.164 3.720 20 0 EHADRM CO[C@@]1(C)CCCN(C(=O)c2cc(Cc3ccccc3)ccc2O)C1 ZINC000437004762 1021459994 /nfs/dbraw/zinc/45/99/94/1021459994.db2.gz WZEPHJUTURXNME-NRFANRHFSA-N -1 0 339.435 3.624 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC=CC1 ZINC000656849670 1021478372 /nfs/dbraw/zinc/47/83/72/1021478372.db2.gz WPKWUNXJDNDEMD-UHFFFAOYSA-N -1 0 333.693 3.718 20 0 EHADRM CCN(C(=O)c1nn(-c2cccc(F)c2)cc1[O-])[C@@H]1CCCC[C@@H]1C ZINC000550298387 1021523324 /nfs/dbraw/zinc/52/33/24/1021523324.db2.gz AXWDXKLSFKVNKX-XJKSGUPXSA-N -1 0 345.418 3.758 20 0 EHADRM Cc1cccc(CCC(=O)[N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000048617384 1021586077 /nfs/dbraw/zinc/58/60/77/1021586077.db2.gz HVCREFUSNUODPM-UHFFFAOYSA-N -1 0 339.363 3.551 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)N2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000439700318 1021659357 /nfs/dbraw/zinc/65/93/57/1021659357.db2.gz XDCWWOXPFNEEOO-KSSFIOAISA-N -1 0 337.419 3.958 20 0 EHADRM CCC(C)(C)c1ccc(CNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000439698339 1021659780 /nfs/dbraw/zinc/65/97/80/1021659780.db2.gz MKFFSKYFBBCKHU-CVEARBPZSA-N -1 0 331.456 3.881 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)N[C@@H](CC(=O)[O-])C1CCCCC1 ZINC000519756873 1021673948 /nfs/dbraw/zinc/67/39/48/1021673948.db2.gz DVSXCJMXMKZMSO-KSSFIOAISA-N -1 0 349.446 3.934 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1NC(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000669499032 1032997058 /nfs/dbraw/zinc/99/70/58/1032997058.db2.gz SBVUUIFFNUQRNF-CQSZACIVSA-N -1 0 342.395 3.972 20 0 EHADRM O=S(=O)([N-]Cc1ccc(-c2ccccc2)o1)c1c(F)cccc1F ZINC000518954229 1021708692 /nfs/dbraw/zinc/70/86/92/1021708692.db2.gz LPGLVLQCLYMRLX-UHFFFAOYSA-N -1 0 349.358 3.703 20 0 EHADRM COc1c(C)cc(S(=O)(=O)[N-]c2ncc(C(C)C)s2)cc1C ZINC000437307413 1021718705 /nfs/dbraw/zinc/71/87/05/1021718705.db2.gz KGMJRONCSWFEQJ-UHFFFAOYSA-N -1 0 340.470 3.693 20 0 EHADRM CC(C)(C)c1cnc([N-]S(=O)(=O)c2cccc3ncccc32)s1 ZINC000437336668 1021744113 /nfs/dbraw/zinc/74/41/13/1021744113.db2.gz ZTCDPZMLQVMITL-UHFFFAOYSA-N -1 0 347.465 3.790 20 0 EHADRM CCSc1ccc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])cc1 ZINC000439911331 1021807910 /nfs/dbraw/zinc/80/79/10/1021807910.db2.gz OLRRBGFFNTWYTM-QGZVFWFLSA-N -1 0 341.432 3.623 20 0 EHADRM CCSc1ccc(C(=O)NC[C@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000439930932 1021817898 /nfs/dbraw/zinc/81/78/98/1021817898.db2.gz IJGLSHDCNTURFI-KRWDZBQOSA-N -1 0 343.448 3.705 20 0 EHADRM CCc1cc(=O)[nH]c(S[C@H](C)C(=O)Nc2ccccc2C(C)C)n1 ZINC000188116348 1021828569 /nfs/dbraw/zinc/82/85/69/1021828569.db2.gz CEKCZKAEHBAHJQ-GFCCVEGCSA-N -1 0 345.468 3.575 20 0 EHADRM CC[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)c1ccc(OC)cc1 ZINC000439946222 1021840078 /nfs/dbraw/zinc/84/00/78/1021840078.db2.gz OYFPMXIHGSFDRT-CYBMUJFWSA-N -1 0 327.380 3.916 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1nsc(-c2ccccc2)n1 ZINC000430661283 1021851959 /nfs/dbraw/zinc/85/19/59/1021851959.db2.gz PVCUJNKMSACTAE-UHFFFAOYSA-N -1 0 345.449 3.568 20 0 EHADRM Cc1ccccc1NC(=O)N1CCC[C@@]1(Cc1ccccc1)C(=O)[O-] ZINC000516947499 1021882732 /nfs/dbraw/zinc/88/27/32/1021882732.db2.gz NAIMEIBACHVUST-HXUWFJFHSA-N -1 0 338.407 3.689 20 0 EHADRM CCN(C(=O)N(C)[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1)C(C)C ZINC000548252848 1021887247 /nfs/dbraw/zinc/88/72/47/1021887247.db2.gz QIFCTHGNDABTLM-ZDUSSCGKSA-N -1 0 347.242 3.901 20 0 EHADRM CC(C)C(C)(C)[S@@](=O)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000517014508 1021940553 /nfs/dbraw/zinc/94/05/53/1021940553.db2.gz CLIMNSOOWMAGPY-BUXKBTBVSA-N -1 0 347.274 3.758 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N2CCSC[C@H]2c2ccccc2)CC1 ZINC000517032863 1021960053 /nfs/dbraw/zinc/96/00/53/1021960053.db2.gz IPQORHCDCDGTIF-PREGVCBESA-N -1 0 347.480 3.584 20 0 EHADRM CCc1n[n-]c(=NC(=O)N(Cc2ccccc2)C2CCCCC2)s1 ZINC000437593771 1021968720 /nfs/dbraw/zinc/96/87/20/1021968720.db2.gz UUZSEOYGGUNHGD-UHFFFAOYSA-N -1 0 344.484 3.889 20 0 EHADRM CC(C)[C@H](CN=c1nc(C(F)(F)F)[n-]s1)Nc1ccccc1 ZINC000517047238 1021981359 /nfs/dbraw/zinc/98/13/59/1021981359.db2.gz RJAMWUXHGDJYIF-NSHDSACASA-N -1 0 330.379 3.527 20 0 EHADRM CCSc1cccc(NC(=O)N=c2[n-]nc(-c3ccco3)s2)c1 ZINC000506779795 1022005338 /nfs/dbraw/zinc/00/53/38/1022005338.db2.gz OQXQTTVYFAGKBE-UHFFFAOYSA-N -1 0 346.437 3.976 20 0 EHADRM CCC[C@@H]1[C@H](C)CCCN1C(=O)N=c1[n-]nc(SCC)s1 ZINC000437653622 1022031782 /nfs/dbraw/zinc/03/17/82/1022031782.db2.gz KNEYLSQNBUEWFO-GHMZBOCLSA-N -1 0 328.507 3.505 20 0 EHADRM COc1cc2c(cc1[N-]S(=O)(=O)c1ccco1)oc1ccccc12 ZINC000437669587 1022041057 /nfs/dbraw/zinc/04/10/57/1022041057.db2.gz SDAJWIQSBAYNKG-UHFFFAOYSA-N -1 0 343.360 3.988 20 0 EHADRM C[C@@H](C(F)(F)F)S(=O)(=O)[N-]CC1CCC(c2ccccc2)CC1 ZINC000546063267 1022051084 /nfs/dbraw/zinc/05/10/84/1022051084.db2.gz BHMOSVFJVBBCSQ-OPFPJEHXSA-N -1 0 349.418 3.831 20 0 EHADRM CSCc1cccc(NS(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000520256615 1022060006 /nfs/dbraw/zinc/06/00/06/1022060006.db2.gz PZTDWYOLYAPUFT-UHFFFAOYSA-N -1 0 333.478 3.839 20 0 EHADRM O=S(=O)([N-]c1nc(Cc2ccccc2)cs1)c1ccsc1 ZINC000506815837 1022070863 /nfs/dbraw/zinc/07/08/63/1022070863.db2.gz NSAJYEBYLMIBKF-UHFFFAOYSA-N -1 0 336.463 3.596 20 0 EHADRM CC1CCN(c2cccc([N-]S(=O)(=O)c3ccsc3)c2)CC1 ZINC000506824313 1022105446 /nfs/dbraw/zinc/10/54/46/1022105446.db2.gz WRWWXZBTMXXAJP-UHFFFAOYSA-N -1 0 336.482 3.785 20 0 EHADRM Cc1ccc(NC(=O)N=c2[n-]nc(C3CC3)s2)cc1OC(C)C ZINC000517211101 1022120143 /nfs/dbraw/zinc/12/01/43/1022120143.db2.gz MKPFJQHAFGRFGC-UHFFFAOYSA-N -1 0 332.429 3.577 20 0 EHADRM CC(C)[C@H]1CCCN(C(=O)c2nn(-c3cccc(F)c3)cc2[O-])CC1 ZINC000550322836 1022127438 /nfs/dbraw/zinc/12/74/38/1022127438.db2.gz VVSWYSXXXSQRGS-AWEZNQCLSA-N -1 0 345.418 3.615 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccncc3)cc2)cc1 ZINC000050534573 1022278854 /nfs/dbraw/zinc/27/88/54/1022278854.db2.gz GAOVRLDEQKPKHJ-UHFFFAOYSA-N -1 0 340.404 3.983 20 0 EHADRM CC(C)[C@@H](C(=O)Nc1cccc(Cl)c1[O-])C(=O)OC(C)(C)C ZINC000517374960 1022291522 /nfs/dbraw/zinc/29/15/22/1022291522.db2.gz QESKAZAQTFTKTJ-LBPRGKRZSA-N -1 0 327.808 3.598 20 0 EHADRM Cc1cc(S(=O)(=O)N[C@H]2CCCC(F)(F)C2)sc1Cl ZINC000473951106 1022379072 /nfs/dbraw/zinc/37/90/72/1022379072.db2.gz QZOJFRWYUZNMPI-QMMMGPOBSA-N -1 0 329.821 3.566 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)Cc2ccc(F)cc2Cl)c1 ZINC000473959057 1022402416 /nfs/dbraw/zinc/40/24/16/1022402416.db2.gz IMNKANYUJRMISW-UHFFFAOYSA-N -1 0 335.762 3.678 20 0 EHADRM COc1cc([C@H](C)N=c2[n-]nc(C)o2)ccc1OCc1ccccc1 ZINC000341586851 1022412539 /nfs/dbraw/zinc/41/25/39/1022412539.db2.gz NURTTYACFHGOKS-ZDUSSCGKSA-N -1 0 339.395 3.561 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N2CCCC[C@@H]2CCC(C)C)s1 ZINC000473681204 1022476693 /nfs/dbraw/zinc/47/66/93/1022476693.db2.gz KVERDLLEJIYCNV-GFCCVEGCSA-N -1 0 342.534 3.895 20 0 EHADRM CC(C)Oc1ccc(NC(=O)NCCCCC(=O)[O-])c(Cl)c1 ZINC000669504111 1033058420 /nfs/dbraw/zinc/05/84/20/1033058420.db2.gz CRTJPKXEHCWXID-UHFFFAOYSA-N -1 0 328.796 3.504 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1cc(Cl)ccc1F ZINC000550124062 1022517305 /nfs/dbraw/zinc/51/73/05/1022517305.db2.gz YVZRJDKYUGHNNY-UHFFFAOYSA-N -1 0 346.749 3.531 20 0 EHADRM [O-]C(=Cc1ccc(Cl)s1)Nc1nc(-c2ccccc2)ns1 ZINC000510530548 1022641171 /nfs/dbraw/zinc/64/11/71/1022641171.db2.gz CWNXSZPBOBSEKA-UHFFFAOYSA-N -1 0 335.841 3.523 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N2CCC[C@H]2CC(C)(C)C)s1 ZINC000330705671 1022657396 /nfs/dbraw/zinc/65/73/96/1022657396.db2.gz KYFYGADFBSXLJN-JTQLQIEISA-N -1 0 328.507 3.505 20 0 EHADRM O=C([O-])CCOc1cccc(/C=C/C(=O)c2cc(F)cc(F)c2)c1 ZINC000088305155 1022749140 /nfs/dbraw/zinc/74/91/40/1022749140.db2.gz WWWQSAZWINKOCR-SNAWJCMRSA-N -1 0 332.302 3.714 20 0 EHADRM CC(C)(C)[C@H]1C[C@H](NC(=O)c2cc(F)cc(Cl)c2[O-])CCO1 ZINC000334086592 1022848419 /nfs/dbraw/zinc/84/84/19/1022848419.db2.gz FWKKIZWASUKOMQ-ZWNOBZJWSA-N -1 0 329.799 3.508 20 0 EHADRM O=S(=O)(N[C@H](c1ccc(Cl)cc1)C1CCC1)c1ccco1 ZINC000188672848 1022861122 /nfs/dbraw/zinc/86/11/22/1022861122.db2.gz XJEVIPRCKFLEKQ-HNNXBMFYSA-N -1 0 325.817 3.753 20 0 EHADRM CCc1nc(-c2ccccc2NC(=O)c2ccc(CC)cc2O)n[nH]1 ZINC000188595804 1022864697 /nfs/dbraw/zinc/86/46/97/1022864697.db2.gz ZKQLIVMHFHGVCU-UHFFFAOYSA-N -1 0 336.395 3.554 20 0 EHADRM N#CC(=C([O-])C=Cc1ccc2c(c1)OCO2)c1nc2ccccc2s1 ZINC000046441853 1033092134 /nfs/dbraw/zinc/09/21/34/1033092134.db2.gz XAGODCPPIYHFHV-SCXUMTSISA-N -1 0 348.383 3.915 20 0 EHADRM CC(=O)c1cccc(NC(=O)c2cccc(Br)c2[O-])c1 ZINC000518049890 1022945600 /nfs/dbraw/zinc/94/56/00/1022945600.db2.gz QBFVLFGBSALZCS-UHFFFAOYSA-N -1 0 334.169 3.610 20 0 EHADRM Cc1nc(CNCc2ccc(-c3ccccc3F)o2)sc1C(=O)[O-] ZINC000426702810 1022973501 /nfs/dbraw/zinc/97/35/01/1022973501.db2.gz IOEQXSJKNRRSTJ-UHFFFAOYSA-N -1 0 346.383 3.839 20 0 EHADRM COc1cc(-c2ccccc2)ccc1CNCc1cc(C(=O)[O-])co1 ZINC000426715547 1022981389 /nfs/dbraw/zinc/98/13/89/1022981389.db2.gz RRCWNYUARBSLDH-UHFFFAOYSA-N -1 0 337.375 3.943 20 0 EHADRM O=C(Cc1ccccc1)Nc1cc(Br)cc(Cl)c1[O-] ZINC000535655636 1022981981 /nfs/dbraw/zinc/98/19/81/1022981981.db2.gz OVTGUBGKNNKYSI-UHFFFAOYSA-N -1 0 340.604 3.989 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc(-c2ccc(F)cc2)cc1F)C1CCC1 ZINC000655591609 1022986223 /nfs/dbraw/zinc/98/62/23/1022986223.db2.gz SUIOFKGGMKNWAO-UHFFFAOYSA-N -1 0 345.345 3.711 20 0 EHADRM COc1ccc(NC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)cc1F ZINC000237169708 1022994569 /nfs/dbraw/zinc/99/45/69/1022994569.db2.gz CLZUWIDUJJLDLF-GOSISDBHSA-N -1 0 337.391 3.834 20 0 EHADRM Cc1cccc([C@@H](NCc2coc(-c3ccccc3)n2)C(=O)[O-])c1C ZINC000426734706 1023004772 /nfs/dbraw/zinc/00/47/72/1023004772.db2.gz AZVDNULQZNXJMO-GOSISDBHSA-N -1 0 336.391 3.874 20 0 EHADRM C[C@H]1CCc2nc(CN[C@H](C(=O)[O-])C3(C)CCCCC3)sc2C1 ZINC000426736697 1023006057 /nfs/dbraw/zinc/00/60/57/1023006057.db2.gz KEVZWSKJCSPMTJ-BLLLJJGKSA-N -1 0 336.501 3.781 20 0 EHADRM Cc1cc(C)cc([C@H](NCc2nc3c(s2)C[C@H](C)CC3)C(=O)[O-])c1 ZINC000426753190 1023023178 /nfs/dbraw/zinc/02/31/78/1023023178.db2.gz CIOIHPPSWFAOFN-ZMZPIMSZSA-N -1 0 344.480 3.800 20 0 EHADRM CCN(Cc1c[nH]c2ccccc12)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000189566101 1023052294 /nfs/dbraw/zinc/05/22/94/1023052294.db2.gz IBANWRIITJRPSL-UHFFFAOYSA-N -1 0 348.324 3.953 20 0 EHADRM O=C([O-])[C@H](NCc1csc(-c2ccsc2)n1)c1cccc(F)c1 ZINC000426808738 1023058859 /nfs/dbraw/zinc/05/88/59/1023058859.db2.gz SFFPTGGEDAUCAV-CQSZACIVSA-N -1 0 348.424 3.926 20 0 EHADRM O=C([O-])[C@@H](NCc1cnc(-c2cccs2)s1)c1cccs1 ZINC000426805923 1023060489 /nfs/dbraw/zinc/06/04/89/1023060489.db2.gz HBULWGDTDNTLMX-LBPRGKRZSA-N -1 0 336.463 3.849 20 0 EHADRM Cc1cc2cccnc2c([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000506993935 1023066958 /nfs/dbraw/zinc/06/69/58/1023066958.db2.gz BUUQIWZSKFITSC-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM CCN(C(=O)N=c1[n-]nc(Cc2ccc(C)cc2)s1)[C@H](C)C(C)C ZINC000518170195 1023088410 /nfs/dbraw/zinc/08/84/10/1023088410.db2.gz YXPLNLUUVCJPPC-CQSZACIVSA-N -1 0 346.500 3.758 20 0 EHADRM COc1cc(Cl)c(/C=C\c2cc(C(=O)[O-])ncn2)cc1Cl ZINC000536391401 1023185092 /nfs/dbraw/zinc/18/50/92/1023185092.db2.gz SEMIZRFGICUHNR-IHWYPQMZSA-N -1 0 325.151 3.661 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cccn1C1CCCC1)c1ccc(F)cc1 ZINC000190493015 1023196458 /nfs/dbraw/zinc/19/64/58/1023196458.db2.gz BJVRBBDUIZYPTH-INIZCTEOSA-N -1 0 344.386 3.688 20 0 EHADRM Cc1cc(C(F)(F)F)ccc1CNC(=O)c1cc(F)c([O-])c(F)c1 ZINC000190495787 1023197704 /nfs/dbraw/zinc/19/77/04/1023197704.db2.gz JNHBZRFAZRYDOA-UHFFFAOYSA-N -1 0 345.267 3.928 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)nc1 ZINC000439009444 1023204307 /nfs/dbraw/zinc/20/43/07/1023204307.db2.gz LUAZEJFSIFTJCQ-UHFFFAOYSA-N -1 0 342.511 3.963 20 0 EHADRM CCCc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)n[nH]1 ZINC000439008741 1023204531 /nfs/dbraw/zinc/20/45/31/1023204531.db2.gz PQCWFUDBLUJODX-UHFFFAOYSA-N -1 0 327.475 3.522 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000346023087 1023211890 /nfs/dbraw/zinc/21/18/90/1023211890.db2.gz YKHWEEHWULHEQD-MRVPVSSYSA-N -1 0 343.210 3.800 20 0 EHADRM C[C@@H](CSc1n[n-]c(=NCc2ccccc2)s1)C(F)(F)F ZINC000439045198 1023231628 /nfs/dbraw/zinc/23/16/28/1023231628.db2.gz WHTIFRQLGKCWLS-VIFPVBQESA-N -1 0 333.404 3.863 20 0 EHADRM Cc1n[n-]c(=NC(=O)N2CCC[C@H](CCCc3ccccc3)C2)s1 ZINC000439080913 1023260651 /nfs/dbraw/zinc/26/06/51/1023260651.db2.gz ZKHDCCNYWRBEJB-INIZCTEOSA-N -1 0 344.484 3.535 20 0 EHADRM C[C@H](CCNS(=O)(=O)c1cccc(Cl)c1[O-])CC(C)(C)C ZINC001211526571 1023291226 /nfs/dbraw/zinc/29/12/26/1023291226.db2.gz ZTWYENVRBAYBOY-LLVKDONJSA-N -1 0 333.881 3.786 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1C(=O)Cc1csc2ccc(Cl)cc12 ZINC000190547370 1023297966 /nfs/dbraw/zinc/29/79/66/1023297966.db2.gz VDDVRCBDTGSRDR-ZDUSSCGKSA-N -1 0 337.828 3.563 20 0 EHADRM O=C([O-])[C@@H](CC(=O)N[C@@H]1CCCc2ccc(F)cc21)c1ccccc1 ZINC000684558592 1023317887 /nfs/dbraw/zinc/31/78/87/1023317887.db2.gz LPXAOZYDYQNKOM-ZWKOTPCHSA-N -1 0 341.382 3.578 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(-n3cccn3)ccc2C)s1 ZINC000431152089 1023346447 /nfs/dbraw/zinc/34/64/47/1023346447.db2.gz UUIPOMYWKFQGEW-UHFFFAOYSA-N -1 0 347.465 3.660 20 0 EHADRM CCOc1cc([N-]S(=O)(=O)c2sc(C)cc2C)ccc1OC ZINC000431155375 1023356078 /nfs/dbraw/zinc/35/60/78/1023356078.db2.gz FPPQRBMSLSWKBX-UHFFFAOYSA-N -1 0 341.454 3.573 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)c(F)c1)c1c[nH]c2cccc(F)c21 ZINC000471938282 1023356165 /nfs/dbraw/zinc/35/61/65/1023356165.db2.gz AGDXQXLRIMMCAF-UHFFFAOYSA-N -1 0 342.754 3.900 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)s1 ZINC000431159693 1023357866 /nfs/dbraw/zinc/35/78/66/1023357866.db2.gz ITXJPJSLHPVAFF-UHFFFAOYSA-N -1 0 335.450 3.685 20 0 EHADRM COc1ccc2nc(/C=C/c3cnn(C(C)C)c3)cc(C(=O)[O-])c2c1 ZINC000607436186 1033141732 /nfs/dbraw/zinc/14/17/32/1033141732.db2.gz RNGDAYUTOICEGY-SNAWJCMRSA-N -1 0 337.379 3.889 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1ccc(Br)cc1CO ZINC001211622904 1033153359 /nfs/dbraw/zinc/15/33/59/1033153359.db2.gz QKWOTCHTRUARGC-UHFFFAOYSA-N -1 0 336.185 3.692 20 0 EHADRM COc1cc(Cl)ccc1CN=c1[n-]nc(-c2ccccc2)s1 ZINC000594005597 1033155134 /nfs/dbraw/zinc/15/51/34/1033155134.db2.gz FSJSYZYNRHACDD-UHFFFAOYSA-N -1 0 331.828 3.901 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N(Cc2ccccc2)C(C)C)s1 ZINC000513951058 1023996784 /nfs/dbraw/zinc/99/67/84/1023996784.db2.gz BGZJQQZDEKSGQH-UHFFFAOYSA-N -1 0 332.473 3.601 20 0 EHADRM Cc1cc(C)cc(C2(C(=O)Nc3cccc(CCC(=O)[O-])c3)CC2)c1 ZINC000262333516 1024050385 /nfs/dbraw/zinc/05/03/85/1024050385.db2.gz BLOWYXGRKQQIMZ-UHFFFAOYSA-N -1 0 337.419 3.991 20 0 EHADRM O=C([O-])[C@]1(NCc2cnc(C3CCC3)s2)CCc2c1cccc2F ZINC000417564104 1024062920 /nfs/dbraw/zinc/06/29/20/1024062920.db2.gz HZLXGXZJBLLJNL-SFHVURJKSA-N -1 0 346.427 3.566 20 0 EHADRM O=C([O-])c1cccc(-c2cc(F)ccc2OC[C@H]2CCCCO2)n1 ZINC000657203933 1024083012 /nfs/dbraw/zinc/08/30/12/1024083012.db2.gz MSDAVZOKZQKIKP-CYBMUJFWSA-N -1 0 331.343 3.534 20 0 EHADRM CCOc1ccc(-c2cn(C(C)(C)C)nc2C(=O)[O-])cc1OCC ZINC000657203917 1024084347 /nfs/dbraw/zinc/08/43/47/1024084347.db2.gz ICNSKSLWVHSTSA-UHFFFAOYSA-N -1 0 332.400 3.801 20 0 EHADRM COc1cccc(Cl)c1C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000471996980 1024098568 /nfs/dbraw/zinc/09/85/68/1024098568.db2.gz FHJBHYRWMZXXCR-UHFFFAOYSA-N -1 0 333.771 3.916 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](CC1CC1)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000262191854 1024111262 /nfs/dbraw/zinc/11/12/62/1024111262.db2.gz IBCDDGYEXOIXSG-HZMBPMFUSA-N -1 0 343.345 3.569 20 0 EHADRM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(F)(F)F ZINC000443936948 1024131712 /nfs/dbraw/zinc/13/17/12/1024131712.db2.gz ANWUVZGOUOGCFO-HZGVNTEJSA-N -1 0 335.800 3.657 20 0 EHADRM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C(=O)Nc1cccc(C)c1 ZINC000505432052 1024153640 /nfs/dbraw/zinc/15/36/40/1024153640.db2.gz DGGBQDGRMYNHOO-INIZCTEOSA-N -1 0 341.798 3.626 20 0 EHADRM COC(=O)c1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)[nH]1 ZINC000431267407 1024216085 /nfs/dbraw/zinc/21/60/85/1024216085.db2.gz WSJXYWSSZDBIEF-UHFFFAOYSA-N -1 0 332.359 3.625 20 0 EHADRM COc1cccc(CCC(=O)Nc2cccc(Cl)c2[O-])c1OC ZINC000522313559 1024217173 /nfs/dbraw/zinc/21/71/73/1024217173.db2.gz LYTAZFNVNXOEEX-UHFFFAOYSA-N -1 0 335.787 3.634 20 0 EHADRM CCCCS(=O)(=O)[N-][C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000443963571 1024217778 /nfs/dbraw/zinc/21/77/78/1024217778.db2.gz KRJFWUKYCBSVDM-NSHDSACASA-N -1 0 347.761 3.802 20 0 EHADRM Cc1cc(Br)cc([N-]S(=O)(=O)c2cccs2)c1 ZINC000062192825 1024274166 /nfs/dbraw/zinc/27/41/66/1024274166.db2.gz GCIVEYWNOKJMFT-UHFFFAOYSA-N -1 0 332.244 3.620 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N(Cc2ccco2)C(C)C)s1 ZINC000510018159 1024373349 /nfs/dbraw/zinc/37/33/49/1024373349.db2.gz HCAJQPXHEYLBFU-UHFFFAOYSA-N -1 0 336.461 3.728 20 0 EHADRM C[C@@H](CNC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1)CC(=O)[O-] ZINC000262227038 1024431118 /nfs/dbraw/zinc/43/11/18/1024431118.db2.gz NQXVWAORFDKIEB-SNVBAGLBSA-N -1 0 344.238 3.642 20 0 EHADRM C[C@H](N=c1ccc(N(Cc2ccccn2)C2CC2)n[nH]1)c1ccccc1 ZINC000425197143 1024433017 /nfs/dbraw/zinc/43/30/17/1024433017.db2.gz AVCAAMUMUNXGKA-INIZCTEOSA-N -1 0 345.450 3.636 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2CCC[C@H](F)C2)cc1 ZINC000425229070 1024465418 /nfs/dbraw/zinc/46/54/18/1024465418.db2.gz AYCFLHCKMGNHFV-YDHLFZDLSA-N -1 0 339.432 3.569 20 0 EHADRM C[C@H](CN(C)C(=O)Nc1ccc(OC2CCCCC2)cc1)C(=O)[O-] ZINC000417743013 1024467515 /nfs/dbraw/zinc/46/75/15/1024467515.db2.gz BPNNTUUCRUKECG-CYBMUJFWSA-N -1 0 334.416 3.583 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)c1cccn1C1CCCC1)c1ccccc1 ZINC000190761104 1024475516 /nfs/dbraw/zinc/47/55/16/1024475516.db2.gz WWEDYUYVRBEHOO-QGZVFWFLSA-N -1 0 340.423 3.939 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccc(-c2coc(C)n2)cc1 ZINC000607613444 1033216422 /nfs/dbraw/zinc/21/64/22/1033216422.db2.gz RDQFPQRKFFRHPA-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM Cc1ccc(C(=O)N=c2[n-]nc(Cc3ccc(F)cc3)s2)cc1C ZINC000520720284 1024516569 /nfs/dbraw/zinc/51/65/69/1024516569.db2.gz CZELRKDHZAHDAP-UHFFFAOYSA-N -1 0 341.411 3.559 20 0 EHADRM CCCCc1ccc(CC(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000391792732 1024520314 /nfs/dbraw/zinc/52/03/14/1024520314.db2.gz YFFDWPOCKSECIU-UHFFFAOYSA-N -1 0 325.408 3.838 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccc(C)c(OCC(F)F)c1 ZINC000607614753 1033217797 /nfs/dbraw/zinc/21/77/97/1033217797.db2.gz VCDVKZZOKDPZRZ-UHFFFAOYSA-N -1 0 347.408 3.810 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)s1 ZINC000435078658 1024606138 /nfs/dbraw/zinc/60/61/38/1024606138.db2.gz JBLAYNJTIMCNIG-DZGCQCFKSA-N -1 0 344.484 3.713 20 0 EHADRM Cc1cc(C)c(CC(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)s1 ZINC000909523380 1024626052 /nfs/dbraw/zinc/62/60/52/1024626052.db2.gz NPBPVAHZHRUCPR-GFCCVEGCSA-N -1 0 331.437 3.809 20 0 EHADRM CCOC(=O)c1ccc(/C=C(/CC(=O)[O-])c2nc3ccccc3o2)o1 ZINC000435156384 1024653386 /nfs/dbraw/zinc/65/33/86/1024653386.db2.gz BPMPZRBNOJXFSU-LUAWRHEFSA-N -1 0 341.319 3.613 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)Cc2csc3ccccc23)C1 ZINC000262146523 1024682214 /nfs/dbraw/zinc/68/22/14/1024682214.db2.gz AZMVGHUIIWHLOS-CYBMUJFWSA-N -1 0 331.437 3.547 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N[C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000514732453 1024707744 /nfs/dbraw/zinc/70/77/44/1024707744.db2.gz ISYONMDGRMNMGN-PPUFBPAQSA-N -1 0 335.831 3.725 20 0 EHADRM COCc1cc(NC(=O)c2cccc(F)c2Cl)cc(C(=O)[O-])c1 ZINC000427668928 1024715520 /nfs/dbraw/zinc/71/55/20/1024715520.db2.gz UAXNIZSPIPHAEG-UHFFFAOYSA-N -1 0 337.734 3.576 20 0 EHADRM CCc1cc(C(=O)Nc2cc(COC)cc(C(=O)[O-])c2)sc1C ZINC000427679432 1024729352 /nfs/dbraw/zinc/72/93/52/1024729352.db2.gz RIZIFRUILCXDMP-UHFFFAOYSA-N -1 0 333.409 3.716 20 0 EHADRM Cc1cccc(S([O-])=CC(=O)N[C@H](C)c2ccc(Cl)cc2)c1 ZINC000108103159 1024762238 /nfs/dbraw/zinc/76/22/38/1024762238.db2.gz HJZSVJDYVSCKCH-MCMMXHMISA-N -1 0 335.856 3.633 20 0 EHADRM Cc1cnn(C)c1S(=O)(=O)[N-]c1c(C)cc(Cl)c2ccccc21 ZINC000507916713 1024763469 /nfs/dbraw/zinc/76/34/69/1024763469.db2.gz CXCKVZNINWVQHF-UHFFFAOYSA-N -1 0 349.843 3.644 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)cnn1CC(C)C ZINC000346487546 1024795989 /nfs/dbraw/zinc/79/59/89/1024795989.db2.gz QRBSVECAWMSOFI-UHFFFAOYSA-N -1 0 341.864 3.610 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)c1cc(O)c2ccccc2c1 ZINC000909462910 1024886563 /nfs/dbraw/zinc/88/65/63/1024886563.db2.gz KBIGILCYDHZVDW-UHFFFAOYSA-N -1 0 329.396 3.700 20 0 EHADRM C[C@H](NC(=O)N(CC(=O)[O-])C1CCCC1)c1cc2ccccc2o1 ZINC000684713830 1024888449 /nfs/dbraw/zinc/88/84/49/1024888449.db2.gz IANWHPDUQPTNQO-LBPRGKRZSA-N -1 0 330.384 3.533 20 0 EHADRM C[C@@H](CCCC(F)(F)F)NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000427965470 1024912453 /nfs/dbraw/zinc/91/24/53/1024912453.db2.gz MUYSUKRDPPLSOV-LURJTMIESA-N -1 0 329.240 3.660 20 0 EHADRM Cc1cccc([C@H](NCc2csc(C(C)(C)C)n2)C(=O)[O-])c1C ZINC000277397728 1024917983 /nfs/dbraw/zinc/91/79/83/1024917983.db2.gz RRVXRDKVXZLXON-HNNXBMFYSA-N -1 0 332.469 3.973 20 0 EHADRM CCC(CC)(CC(=O)N[C@@H](C)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000346580629 1024919837 /nfs/dbraw/zinc/91/98/37/1024919837.db2.gz JLBOHRJFHOPJND-JTQLQIEISA-N -1 0 329.799 3.937 20 0 EHADRM CC(C)CCc1ccc(S(=O)(=O)[N-]c2cc(C3CC3)[nH]n2)cc1 ZINC000474417991 1024924784 /nfs/dbraw/zinc/92/47/84/1024924784.db2.gz VPPWVROKPSLOFE-UHFFFAOYSA-N -1 0 333.457 3.677 20 0 EHADRM C[C@@H](c1ccccc1)[C@](C)(O)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474432830 1024960247 /nfs/dbraw/zinc/96/02/47/1024960247.db2.gz NUBKRGYMOITVPK-BTDLBPIBSA-N -1 0 337.778 3.678 20 0 EHADRM CCCc1cc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)n[nH]1 ZINC000474428068 1024962038 /nfs/dbraw/zinc/96/20/38/1024962038.db2.gz CBDJZTIWJMDWFN-UHFFFAOYSA-N -1 0 341.436 3.830 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)NCc1ccc(C(C)(C)C)cc1)C1CC1 ZINC000684719271 1024969147 /nfs/dbraw/zinc/96/91/47/1024969147.db2.gz VJPSYFGJROXJQX-MRXNPFEDSA-N -1 0 332.444 3.521 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000139380479 1033254651 /nfs/dbraw/zinc/25/46/51/1033254651.db2.gz GVOVZHSBJHCMKA-FGTMMUONSA-N -1 0 341.382 3.652 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000139380285 1033256489 /nfs/dbraw/zinc/25/64/89/1033256489.db2.gz GVOVZHSBJHCMKA-KZNAEPCWSA-N -1 0 341.382 3.652 20 0 EHADRM Cc1ccncc1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435715978 1025101974 /nfs/dbraw/zinc/10/19/74/1025101974.db2.gz SLMQOURZLVHNOE-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000366890409 1025111532 /nfs/dbraw/zinc/11/15/32/1025111532.db2.gz DCGRQQLEKMIJBU-RDJZCZTQSA-N -1 0 346.430 3.936 20 0 EHADRM CC[C@@H]1CCC[C@H]1NC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000684738989 1025142601 /nfs/dbraw/zinc/14/26/01/1025142601.db2.gz IZOOKVZZOOEGKO-UKRRQHHQSA-N -1 0 338.835 3.515 20 0 EHADRM Cc1ccnc([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)c1 ZINC000521018746 1025167796 /nfs/dbraw/zinc/16/77/96/1025167796.db2.gz XDHAQVSOKPCNNR-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM O=C([O-])[C@H]1CCCCCN1C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000684743259 1025194770 /nfs/dbraw/zinc/19/47/70/1025194770.db2.gz ZCCCZWPVFXHEHI-CQSZACIVSA-N -1 0 345.424 3.671 20 0 EHADRM CN(CC1(c2ccccc2)CC1)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000192616789 1025207876 /nfs/dbraw/zinc/20/78/76/1025207876.db2.gz KHHFZZULNWAPEH-UHFFFAOYSA-N -1 0 333.790 3.989 20 0 EHADRM Cc1cc(Nc2ccnc(F)c2Br)cc(C(=O)[O-])c1 ZINC001211539560 1025222502 /nfs/dbraw/zinc/22/25/02/1025222502.db2.gz YZUKGBAIVRQONN-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM O=C([O-])[C@@H]1CCCCCN1C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000684749264 1025252661 /nfs/dbraw/zinc/25/26/61/1025252661.db2.gz LZIBKAFGQLVDDM-AWEZNQCLSA-N -1 0 343.383 3.566 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)Cc2ccc(SC3CC3)cc2)C1 ZINC000909479173 1025277585 /nfs/dbraw/zinc/27/75/85/1025277585.db2.gz PTPDZMDHJBDYFP-HNNXBMFYSA-N -1 0 347.480 3.587 20 0 EHADRM O=C([O-])CCc1cccc(-c2cccc(CO[C@@H]3CCOC3)c2)c1 ZINC000574531493 1033273978 /nfs/dbraw/zinc/27/39/78/1033273978.db2.gz DMWJMHCUWJFLJY-LJQANCHMSA-N -1 0 326.392 3.676 20 0 EHADRM C[C@@H]1CCC[C@H](C)N1C(=O)N1CCC[C@H]1c1ccc(C(=O)[O-])s1 ZINC000548682951 1025342129 /nfs/dbraw/zinc/34/21/29/1025342129.db2.gz JZUDWXBKJRZUFR-XQQFMLRXSA-N -1 0 336.457 3.966 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000013439752 1025378129 /nfs/dbraw/zinc/37/81/29/1025378129.db2.gz OJGBKQOLJLLHOA-UHFFFAOYSA-N -1 0 338.190 3.802 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)CCCc2ccccc2Cl)C1 ZINC000909484649 1025380425 /nfs/dbraw/zinc/38/04/25/1025380425.db2.gz ROBFSLKKNQQVGK-AWEZNQCLSA-N -1 0 337.847 3.766 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]c1nccs1 ZINC000346989805 1025391813 /nfs/dbraw/zinc/39/18/13/1025391813.db2.gz SCHNGMHSMNOAAY-UHFFFAOYSA-N -1 0 328.802 3.652 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccccc2SC)cc1C ZINC000436162550 1025426097 /nfs/dbraw/zinc/42/60/97/1025426097.db2.gz RXTNWOQZROUEDT-NSHDSACASA-N -1 0 339.486 3.685 20 0 EHADRM CC[C@](C)(O)CN=c1[n-]nc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000444088286 1025446324 /nfs/dbraw/zinc/44/63/24/1025446324.db2.gz NOKWYYNPEPPGQY-ZDUSSCGKSA-N -1 0 332.256 3.507 20 0 EHADRM C[C@@H](CNC(=O)c1sc2cccc(F)c2c1Cl)CC(=O)[O-] ZINC000909488906 1025469296 /nfs/dbraw/zinc/46/92/96/1025469296.db2.gz SSPKOZMAXJZFRF-SSDOTTSWSA-N -1 0 329.780 3.534 20 0 EHADRM O=C(c1[n-]cnc1-c1nc(-c2ccc(Cl)o2)no1)c1ccccc1 ZINC000347109159 1025513295 /nfs/dbraw/zinc/51/32/95/1025513295.db2.gz HXPVFAGOHOJBTJ-UHFFFAOYSA-N -1 0 340.726 3.604 20 0 EHADRM CC(C)c1ncsc1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000451101722 1025563108 /nfs/dbraw/zinc/56/31/08/1025563108.db2.gz FMUMAYBKHNPROT-UHFFFAOYSA-N -1 0 334.825 3.860 20 0 EHADRM C/C(=C/C(C)(C)C)C(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000588507396 1025594204 /nfs/dbraw/zinc/59/42/04/1025594204.db2.gz GKRCTIUPAGXHAY-KTKRTIGZSA-N -1 0 349.374 3.503 20 0 EHADRM CC[C@H](NC(=O)NC[C@H](C(=O)[O-])C1CCC1)c1cccc(Cl)c1 ZINC000665301598 1025634681 /nfs/dbraw/zinc/63/46/81/1025634681.db2.gz BIQBJBDYBYTGJY-GJZGRUSLSA-N -1 0 338.835 3.591 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)N(C)C2(C(=O)[O-])CCCC2)cc1 ZINC000521755626 1025642095 /nfs/dbraw/zinc/64/20/95/1025642095.db2.gz VDDAHEOLULGHAU-UHFFFAOYSA-N -1 0 348.443 3.973 20 0 EHADRM CCSCc1cccc([N-]S(=O)(=O)c2sccc2OC)c1 ZINC000121697567 1025648218 /nfs/dbraw/zinc/64/82/18/1025648218.db2.gz HCMYJGVBCSOVFR-UHFFFAOYSA-N -1 0 343.495 3.811 20 0 EHADRM CSc1c(F)cc([N-]S(=O)(=O)c2ccc(C)s2)cc1F ZINC000342461106 1025654293 /nfs/dbraw/zinc/65/42/93/1025654293.db2.gz WMEPEMGGHLBYOY-UHFFFAOYSA-N -1 0 335.422 3.857 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)sc1Cl ZINC000530383090 1025716976 /nfs/dbraw/zinc/71/69/76/1025716976.db2.gz YHJRTIYRHFDJJG-UHFFFAOYSA-N -1 0 326.830 3.992 20 0 EHADRM CCCC[C@H](NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000347253326 1025733219 /nfs/dbraw/zinc/73/32/19/1025733219.db2.gz AFOIMAADVHGYRY-GVXVVHGQSA-N -1 0 344.238 3.857 20 0 EHADRM CCCC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C)C(=O)[O-] ZINC000347260157 1025753614 /nfs/dbraw/zinc/75/36/14/1025753614.db2.gz LHHFHXTXJBPDKL-GDBMZVCRSA-N -1 0 335.444 3.645 20 0 EHADRM C=Cc1ccc(S(=O)(=O)[N-]c2cc(OCC)ccc2OCC)cc1 ZINC000436481017 1025757085 /nfs/dbraw/zinc/75/70/85/1025757085.db2.gz ZDYPGBDKSPOHFQ-UHFFFAOYSA-N -1 0 347.436 3.928 20 0 EHADRM C[C@@H](CC(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccc(F)cc1F ZINC000191058166 1025780072 /nfs/dbraw/zinc/78/00/72/1025780072.db2.gz ALXVRMTYIAKCCF-VIFPVBQESA-N -1 0 337.297 3.934 20 0 EHADRM COC(=O)c1ccc(O)c(NC(=O)[C@@H](C)Cc2ccc(Cl)cc2)c1 ZINC000436507584 1025799083 /nfs/dbraw/zinc/79/90/83/1025799083.db2.gz WYOSPWMYJKJULM-NSHDSACASA-N -1 0 347.798 3.650 20 0 EHADRM O=C(c1ccc(F)cc1[O-])N1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000436509172 1025802949 /nfs/dbraw/zinc/80/29/49/1025802949.db2.gz DVSRMONOYAVCLL-ZDUSSCGKSA-N -1 0 349.789 3.868 20 0 EHADRM Cc1ccc([C@@H]2CSCCN2C(=O)c2cc(F)ccc2O)cc1 ZINC000436545233 1025848111 /nfs/dbraw/zinc/84/81/11/1025848111.db2.gz RMQXJIJALORIDZ-INIZCTEOSA-N -1 0 331.412 3.770 20 0 EHADRM O=C(Nc1nccn1Cc1ccccc1)c1ccc(Cl)cc1[O-] ZINC000436539281 1025867575 /nfs/dbraw/zinc/86/75/75/1025867575.db2.gz LSSLAAGFGHSSSP-UHFFFAOYSA-N -1 0 327.771 3.543 20 0 EHADRM Cc1csc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C2CC2)c1 ZINC000582341763 1025904163 /nfs/dbraw/zinc/90/41/63/1025904163.db2.gz IGPXOUFLRVFLHJ-UHFFFAOYSA-N -1 0 339.486 3.587 20 0 EHADRM CCC[C@H](CC)[S@@](=O)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000582345088 1025921487 /nfs/dbraw/zinc/92/14/87/1025921487.db2.gz PQTDAKBJVDXLHG-WTOJCKNJSA-N -1 0 347.274 3.902 20 0 EHADRM O=C(c1c([O-])cc(Cl)cc1Cl)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000436609766 1025944206 /nfs/dbraw/zinc/94/42/06/1025944206.db2.gz SHVKKFPHIHVSTC-GHMZBOCLSA-N -1 0 344.238 3.588 20 0 EHADRM Cc1cccnc1C(C)(C)CNC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436620377 1025971295 /nfs/dbraw/zinc/97/12/95/1025971295.db2.gz VLAWGRRWIDXBTQ-UHFFFAOYSA-N -1 0 336.794 3.596 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cncc(C(F)(F)F)c2)c1 ZINC000436649179 1025975924 /nfs/dbraw/zinc/97/59/24/1025975924.db2.gz WGHWXTMOGUGLPE-UHFFFAOYSA-N -1 0 338.285 3.651 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccoc2C(F)(F)F)c1 ZINC000436651009 1025976417 /nfs/dbraw/zinc/97/64/17/1025976417.db2.gz CLRDLXOANKTETK-UHFFFAOYSA-N -1 0 327.258 3.849 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2csc([C@H]3CCCO3)n2)c1 ZINC000436651898 1025977931 /nfs/dbraw/zinc/97/79/31/1025977931.db2.gz INXIOZPWBJSWDY-OAHLLOKOSA-N -1 0 346.408 3.545 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(OC)c(C)c(OC)c2)c1 ZINC000436650688 1025978258 /nfs/dbraw/zinc/97/82/58/1025978258.db2.gz ZVTDAJJUWGTOJW-UHFFFAOYSA-N -1 0 343.379 3.563 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CCC(=O)c2ccc(F)cc2)c1 ZINC000436652580 1025979517 /nfs/dbraw/zinc/97/95/17/1025979517.db2.gz OPBAJQJHGJZHKD-UHFFFAOYSA-N -1 0 343.354 3.726 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@@]23CCc2ccccc23)c1 ZINC000436652923 1025979770 /nfs/dbraw/zinc/97/97/70/1025979770.db2.gz RHYXJWMXTONRKZ-IIBYNOLFSA-N -1 0 335.403 3.828 20 0 EHADRM O=C(N[C@H]1CCO[C@H](C2CC2)C1)c1cc(Cl)c2ccccc2c1[O-] ZINC000436657072 1025986553 /nfs/dbraw/zinc/98/65/53/1025986553.db2.gz OZDPKJRISOWCME-SJCJKPOMSA-N -1 0 345.826 3.886 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCn2c(cc3ccccc32)C1 ZINC000436655395 1025987395 /nfs/dbraw/zinc/98/73/95/1025987395.db2.gz LVOSWLYOXQZVNU-UHFFFAOYSA-N -1 0 344.773 3.795 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2coc(-c3ccccc3)n2)c1 ZINC000436644154 1025994308 /nfs/dbraw/zinc/99/43/08/1025994308.db2.gz HZFXWXSWLIZOJO-UHFFFAOYSA-N -1 0 336.347 3.892 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cnn(C3CCCC3)c2C)sc1C ZINC000277564285 1026001444 /nfs/dbraw/zinc/00/14/44/1026001444.db2.gz IYFWSFDFSVWJBG-UHFFFAOYSA-N -1 0 339.486 3.786 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2ccc(C(F)(F)F)nc2C)c1 ZINC000436681523 1026033361 /nfs/dbraw/zinc/03/33/61/1026033361.db2.gz RFZTUHOFYTWHDI-UHFFFAOYSA-N -1 0 338.285 3.569 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)Cc2coc3cc(F)ccc23)c1 ZINC000436682686 1026034039 /nfs/dbraw/zinc/03/40/39/1026034039.db2.gz WBCNOJMPBXOGKW-UHFFFAOYSA-N -1 0 327.311 3.661 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cc(-c3csc(C)n3)c[nH]2)c1 ZINC000436681173 1026035300 /nfs/dbraw/zinc/03/53/00/1026035300.db2.gz QHTMIXRBXIKHCJ-UHFFFAOYSA-N -1 0 341.392 3.607 20 0 EHADRM CCc1oc(C(=O)N[C@@H]2CCCCc3ccccc32)cc1C(=O)[O-] ZINC000516164096 1026052195 /nfs/dbraw/zinc/05/21/95/1026052195.db2.gz FYONQITXLJGUAK-OAHLLOKOSA-N -1 0 327.380 3.738 20 0 EHADRM O=C(NCC1(c2cccs2)CCCCC1)C(=O)c1ccc(O)cc1 ZINC000436694296 1026053229 /nfs/dbraw/zinc/05/32/29/1026053229.db2.gz AHRXQDJHALDZET-UHFFFAOYSA-N -1 0 343.448 3.655 20 0 EHADRM O=C(c1cc(Cl)cc(Br)c1[O-])N1CC(C2CCC2)C1 ZINC000436713190 1026081349 /nfs/dbraw/zinc/08/13/49/1026081349.db2.gz IMAWLBSKRRPNPQ-UHFFFAOYSA-N -1 0 344.636 3.680 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000237250951 1026093244 /nfs/dbraw/zinc/09/32/44/1026093244.db2.gz OTKUKEOMRPNYLW-BRADTZPFSA-N -1 0 339.391 3.925 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])s1 ZINC000314683971 1026096145 /nfs/dbraw/zinc/09/61/45/1026096145.db2.gz FANJBWFFWWLMBL-UHFFFAOYSA-N -1 0 345.829 3.517 20 0 EHADRM C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000516192618 1026101715 /nfs/dbraw/zinc/10/17/15/1026101715.db2.gz GOSJOLAQJXCXHQ-IONNQARKSA-N -1 0 341.251 3.824 20 0 EHADRM CC[C@H](c1ccccc1OC)N(C)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000436736828 1026102404 /nfs/dbraw/zinc/10/24/04/1026102404.db2.gz HKKZSLFDLVULJB-OAHLLOKOSA-N -1 0 335.350 3.902 20 0 EHADRM C[C@@H]1Oc2cc(F)ccc2[C@@H]1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436739597 1026106270 /nfs/dbraw/zinc/10/62/70/1026106270.db2.gz OUMFXWGOHGFRBT-JKYUHCHBSA-N -1 0 339.725 3.576 20 0 EHADRM COCCN(C(=O)c1ccc(Cl)c(Cl)c1[O-])[C@@H]1CCC[C@H]1C ZINC000436745993 1026114123 /nfs/dbraw/zinc/11/41/23/1026114123.db2.gz WPGPIRMYNPXRNG-ZWNOBZJWSA-N -1 0 346.254 3.976 20 0 EHADRM COc1ccc(C(=O)Nc2cc3sc(C)nc3cc2OC)c(O)c1 ZINC000436729367 1026119101 /nfs/dbraw/zinc/11/91/01/1026119101.db2.gz AWGNMVQOAVIOEI-UHFFFAOYSA-N -1 0 344.392 3.580 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])C[C@H](C)O1 ZINC000436758079 1026127538 /nfs/dbraw/zinc/12/75/38/1026127538.db2.gz XNJGFWZJIVBBNO-BETUJISGSA-N -1 0 345.826 3.962 20 0 EHADRM COc1cccc(CNC(=O)c2c([O-])cc(Cl)cc2Cl)c1 ZINC000436754668 1026143836 /nfs/dbraw/zinc/14/38/36/1026143836.db2.gz JODRWMBYPVOOEZ-UHFFFAOYSA-N -1 0 326.179 3.638 20 0 EHADRM CCN(CCO)c1ccc(Nc2cc(C)cc(C(=O)[O-])c2)c(C)c1 ZINC001211545347 1026265232 /nfs/dbraw/zinc/26/52/32/1026265232.db2.gz XXNYVSGPMFEDLE-UHFFFAOYSA-N -1 0 328.412 3.564 20 0 EHADRM CSc1ccc([C@@H](C)NC(=O)C[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000684881546 1026320818 /nfs/dbraw/zinc/32/08/18/1026320818.db2.gz HSLGITNCMDAGDE-DYVFJYSZSA-N -1 0 343.448 3.844 20 0 EHADRM C[C@H](CCNC(=O)C[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000684881642 1026322187 /nfs/dbraw/zinc/32/21/87/1026322187.db2.gz NOCJUNBYCWEOCM-QAPCUYQASA-N -1 0 325.408 3.555 20 0 EHADRM CC[C@](C)(NC(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C)C(=O)[O-] ZINC000262454939 1026342463 /nfs/dbraw/zinc/34/24/63/1026342463.db2.gz PWQSBCJMZUIPOK-VLIAUNLRSA-N -1 0 342.439 3.697 20 0 EHADRM C[C@H]1CCC[C@@H](N(C)C(=O)N=c2nc(-c3ccccc3)[n-]s2)C1 ZINC000530865301 1026367291 /nfs/dbraw/zinc/36/72/91/1026367291.db2.gz XAUBWXUNERBISY-GXTWGEPZSA-N -1 0 330.457 3.669 20 0 EHADRM COc1ccc(C(=O)[O-])cc1NCc1ccc2c(c1)CC(C)(C)O2 ZINC000324887209 1026417478 /nfs/dbraw/zinc/41/74/78/1026417478.db2.gz FONXZUCKUCVUNW-UHFFFAOYSA-N -1 0 327.380 3.719 20 0 EHADRM Cc1c(C(=O)N2CCC(CC(=O)[O-])CC2)oc2c1c(C)ccc2C ZINC000262476091 1026513298 /nfs/dbraw/zinc/51/32/98/1026513298.db2.gz SXUDDBSVKHQRGG-UHFFFAOYSA-N -1 0 329.396 3.685 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)[C@H]1CCC[C@@H]1C(=O)[O-] ZINC000634824672 1026572699 /nfs/dbraw/zinc/57/26/99/1026572699.db2.gz ZSYIQTDPJUJYJZ-GJZGRUSLSA-N -1 0 333.428 3.750 20 0 EHADRM COc1cccc(Cl)c1CC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000192889424 1026593028 /nfs/dbraw/zinc/59/30/28/1026593028.db2.gz LHRVYAHAHCVOEE-UHFFFAOYSA-N -1 0 347.798 3.547 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1ccn(C2CCCC2)n1 ZINC000262497874 1026646651 /nfs/dbraw/zinc/64/66/51/1026646651.db2.gz KGKKMSGIMDCPBB-UHFFFAOYSA-N -1 0 327.384 3.566 20 0 EHADRM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C)cc3cccnc32)c1 ZINC000614737286 1026650043 /nfs/dbraw/zinc/65/00/43/1026650043.db2.gz NVQYQGIUXMLEGW-UHFFFAOYSA-N -1 0 326.421 3.961 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2cccc(-c3ccoc3)c2)c2ccccc21 ZINC000192948310 1026650179 /nfs/dbraw/zinc/65/01/79/1026650179.db2.gz QSGXFKCVRYVGAP-QGZVFWFLSA-N -1 0 333.343 3.775 20 0 EHADRM C[C@H]1CC[C@H](C)N(C(=O)c2cc(Br)c(F)cc2[O-])C1 ZINC000450054018 1026666759 /nfs/dbraw/zinc/66/67/59/1026666759.db2.gz UZKMSIDLCCYWBI-IUCAKERBSA-N -1 0 330.197 3.554 20 0 EHADRM CC(C)c1nc(=N[C@H]2COc3c2ccc(Cl)c3Cl)s[n-]1 ZINC000531408061 1026886998 /nfs/dbraw/zinc/88/69/98/1026886998.db2.gz NLFKDPSLZQPMHS-VIFPVBQESA-N -1 0 330.240 3.936 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1C ZINC000342785405 1027039068 /nfs/dbraw/zinc/03/90/68/1027039068.db2.gz UWOUBRQTPBSXHZ-QMMMGPOBSA-N -1 0 333.866 3.678 20 0 EHADRM Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccc(C)s3)c2)n1 ZINC000126789379 1027237437 /nfs/dbraw/zinc/23/74/37/1027237437.db2.gz ZSFKBLVRBKAVFY-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM O=c1nc(CN2CCC[C@@H]2c2ccc(Cl)cc2)[n-]c2ccsc21 ZINC000044895718 1027243617 /nfs/dbraw/zinc/24/36/17/1027243617.db2.gz PBVWZAWKYRMLFC-CQSZACIVSA-N -1 0 345.855 3.975 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])NC(=O)CCC2CCCCC2)c1 ZINC000531746309 1027297335 /nfs/dbraw/zinc/29/73/35/1027297335.db2.gz ZAZDXTCBENXWCW-QGZVFWFLSA-N -1 0 333.428 3.688 20 0 EHADRM CCc1cccc([N-]S(=O)(=O)c2cc(C)cc3cccnc32)c1 ZINC000614739258 1027327427 /nfs/dbraw/zinc/32/74/27/1027327427.db2.gz KSYWVHPLSTZRFH-UHFFFAOYSA-N -1 0 326.421 3.906 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)C2(Oc3ccccc3F)CC2)cc1 ZINC000414444076 1027377849 /nfs/dbraw/zinc/37/78/49/1027377849.db2.gz FGDJTCIOPPXQJN-LBPRGKRZSA-N -1 0 343.354 3.564 20 0 EHADRM CCC(C)(C)OCc1ccccc1NC(=O)[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000634828997 1027521374 /nfs/dbraw/zinc/52/13/74/1027521374.db2.gz KKTPQRNRAYLPOX-CABCVRRESA-N -1 0 333.428 3.831 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)s1 ZINC000475519161 1027559708 /nfs/dbraw/zinc/55/97/08/1027559708.db2.gz BTETUDCIKBMPRD-OCCSQVGLSA-N -1 0 348.447 3.509 20 0 EHADRM c1ccc([C@@H]2C[C@H](N=c3nc(C4CCCC4)[n-]s3)CCO2)cc1 ZINC000420608234 1027642988 /nfs/dbraw/zinc/64/29/88/1027642988.db2.gz CUWKUCGQQAIXLE-CVEARBPZSA-N -1 0 329.469 3.950 20 0 EHADRM CC[C@H]1C[C@H](N=c2[n-]nc(Cc3ccc(Cl)cc3)s2)CCO1 ZINC000420642115 1027665143 /nfs/dbraw/zinc/66/51/43/1027665143.db2.gz SLIANRGJYQFUCB-KGLIPLIRSA-N -1 0 337.876 3.574 20 0 EHADRM C[C@H](N=c1nc(C2CCCC2)[n-]s1)[C@H]1OCCc2sccc21 ZINC000420637825 1027673190 /nfs/dbraw/zinc/67/31/90/1027673190.db2.gz ODWGRZAXSULQCT-IINYFYTJSA-N -1 0 335.498 3.794 20 0 EHADRM C[C@@H](NC(=O)CC1(C(=O)[O-])CCC1)c1cccc(Cl)c1Cl ZINC000262528541 1027696883 /nfs/dbraw/zinc/69/68/83/1027696883.db2.gz PDSWUUDTBHDMAY-SECBINFHSA-N -1 0 330.211 3.816 20 0 EHADRM CCOc1ccc(CNc2cccc(CCC(=O)[O-])c2)cc1OC ZINC000414655959 1027725802 /nfs/dbraw/zinc/72/58/02/1027725802.db2.gz KEQVFBIYLKNWPI-UHFFFAOYSA-N -1 0 329.396 3.723 20 0 EHADRM O=C([O-])CN(CCc1ccccc1)C(=O)Nc1ccccc1Cl ZINC000582822532 1027862056 /nfs/dbraw/zinc/86/20/56/1027862056.db2.gz LGPPZCGRENBHTO-UHFFFAOYSA-N -1 0 332.787 3.501 20 0 EHADRM CSc1ccc(C)c(C(=O)N[C@H](CC(=O)[O-])c2ccccc2C)c1 ZINC000237317261 1027862237 /nfs/dbraw/zinc/86/22/37/1027862237.db2.gz GDRZLFSQLGJAFM-QGZVFWFLSA-N -1 0 343.448 3.971 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)o1 ZINC000643429324 1027940510 /nfs/dbraw/zinc/94/05/10/1027940510.db2.gz RMHRNPJTUAXCDU-IAQYHMDHSA-N -1 0 345.370 3.741 20 0 EHADRM C[C@H]1CCN(C(=O)CC2CCC(C(=O)[O-])CC2)[C@@H](c2ccco2)C1 ZINC000582847173 1027995512 /nfs/dbraw/zinc/99/55/12/1027995512.db2.gz DHIXVHXYZHOURM-SLTXQBBLSA-N -1 0 333.428 3.860 20 0 EHADRM C[C@H](COCC1CCCCC1)NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000928704009 1028034263 /nfs/dbraw/zinc/03/42/63/1028034263.db2.gz DULMMVVQLZSWGM-SNVBAGLBSA-N -1 0 345.361 3.525 20 0 EHADRM CC(C)Nc1ccc(C(=O)Nc2ccc(O)c(C(F)(F)F)c2)cn1 ZINC000134168423 1028100286 /nfs/dbraw/zinc/10/02/86/1028100286.db2.gz WKUGFUREWWMLMN-UHFFFAOYSA-N -1 0 339.317 3.879 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)NCC2CCC(F)(F)CC2)s1 ZINC000503752616 1028113223 /nfs/dbraw/zinc/11/32/23/1028113223.db2.gz AGWLROVBIMDMKF-UHFFFAOYSA-N -1 0 346.447 3.811 20 0 EHADRM CCOCc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000523286966 1028126042 /nfs/dbraw/zinc/12/60/42/1028126042.db2.gz AAHXNGPEJDDKFX-UHFFFAOYSA-N -1 0 343.807 3.816 20 0 EHADRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000614852321 1028209391 /nfs/dbraw/zinc/20/93/91/1028209391.db2.gz LQCPIAXTVBYCIZ-UHFFFAOYSA-N -1 0 343.807 3.987 20 0 EHADRM CCc1n[n-]c(=NC(=O)N2CCC[C@@H](C)[C@H]2c2ccc(C)cc2)s1 ZINC000523439216 1028334564 /nfs/dbraw/zinc/33/45/64/1028334564.db2.gz OIMFPCRVGJMBDF-CJNGLKHVSA-N -1 0 344.484 3.836 20 0 EHADRM CCc1n[n-]c(=NC(=O)N2CCC[C@@H](C)[C@@H]2c2ccc(C)cc2)s1 ZINC000523439217 1028335597 /nfs/dbraw/zinc/33/55/97/1028335597.db2.gz OIMFPCRVGJMBDF-CZUORRHYSA-N -1 0 344.484 3.836 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@H](SCC)C(C)C)cc1 ZINC000067599900 1028342461 /nfs/dbraw/zinc/34/24/61/1028342461.db2.gz MUDYWRFQIUGXNP-CQSZACIVSA-N -1 0 345.486 3.508 20 0 EHADRM CC(C)(CN=c1[n-]nc(C2CC2)o1)c1ccc(C(F)(F)F)cc1 ZINC000342959007 1028376164 /nfs/dbraw/zinc/37/61/64/1028376164.db2.gz IFSGRCBHAMJTOZ-UHFFFAOYSA-N -1 0 325.334 3.777 20 0 EHADRM CC1(C)C(=O)NCc2cc(Nc3cc(Cl)cc(C(=O)[O-])c3)ccc21 ZINC001211969333 1028401075 /nfs/dbraw/zinc/40/10/75/1028401075.db2.gz DNAIIUDQJIBNSH-UHFFFAOYSA-N -1 0 344.798 3.689 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N2CCCC3(CCCCC3)C2)s1 ZINC000523590862 1028460188 /nfs/dbraw/zinc/46/01/88/1028460188.db2.gz HKJJOESBPZLYJF-UHFFFAOYSA-N -1 0 336.505 3.737 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000236617610 1028559224 /nfs/dbraw/zinc/55/92/24/1028559224.db2.gz LYCSZFJDILUXLL-MDZLAQPJSA-N -1 0 344.238 3.712 20 0 EHADRM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(C(=O)[O-])c1 ZINC000237087246 1028620286 /nfs/dbraw/zinc/62/02/86/1028620286.db2.gz PFYHFIWFGRTKQZ-UHFFFAOYSA-N -1 0 338.190 3.964 20 0 EHADRM CCN(C(=O)[C@@H]1CC[C@@H]1C(=O)[O-])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000262688695 1028650310 /nfs/dbraw/zinc/65/03/10/1028650310.db2.gz ZMPBDSVGBKXKKM-HONMWMINSA-N -1 0 343.345 3.726 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)c1ccccc1Sc1ccccc1 ZINC000237528180 1028652385 /nfs/dbraw/zinc/65/23/85/1028652385.db2.gz TVFBSWVKYINRDU-ZDUSSCGKSA-N -1 0 329.421 3.821 20 0 EHADRM Cc1nc([C@H](C)NC(=O)c2csc3ccccc23)sc1C(=O)[O-] ZINC000237462954 1028654510 /nfs/dbraw/zinc/65/45/10/1028654510.db2.gz WUMPDJBBYCURCL-VIFPVBQESA-N -1 0 346.433 3.855 20 0 EHADRM C[C@H](CC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)Cc1cccc(F)c1 ZINC000237582645 1028656988 /nfs/dbraw/zinc/65/69/88/1028656988.db2.gz FTONFDXLQIQAGM-IKICRFKJSA-N -1 0 347.430 3.639 20 0 EHADRM C[C@H](c1cc(Cl)ccc1Cl)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000583048666 1028665133 /nfs/dbraw/zinc/66/51/33/1028665133.db2.gz ZGEOPTSXKOQVGN-NXEZZACHSA-N -1 0 341.242 3.758 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2)s1 ZINC000237972203 1028670199 /nfs/dbraw/zinc/67/01/99/1028670199.db2.gz ZXHPBCPFLDTFAZ-UHFFFAOYSA-N -1 0 341.388 3.882 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)[C@H]1C[C@H]1c1ccccc1Cl ZINC000238087589 1028676849 /nfs/dbraw/zinc/67/68/49/1028676849.db2.gz YKSILBNQIFHTKK-KBPBESRZSA-N -1 0 329.783 3.709 20 0 EHADRM Cc1cc(S(=O)(=O)[O-])c(Nc2ccc(O)c(F)c2F)cc1Cl ZINC001212010876 1028696990 /nfs/dbraw/zinc/69/69/90/1028696990.db2.gz DZCYQBMEUGCWQG-UHFFFAOYSA-N -1 0 349.742 3.623 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000424227765 1028897780 /nfs/dbraw/zinc/89/77/80/1028897780.db2.gz QZSXUFGCYHWVHJ-MRXNPFEDSA-N -1 0 325.408 3.830 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C2(Oc3ccccc3)CC2)c1 ZINC000421913996 1028909017 /nfs/dbraw/zinc/90/90/17/1028909017.db2.gz SQDDTGCGJDRGMS-UHFFFAOYSA-N -1 0 325.364 3.535 20 0 EHADRM CCC(CC)(CNC(=O)[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C)o1)C(=O)[O-] ZINC000424257044 1028915250 /nfs/dbraw/zinc/91/52/50/1028915250.db2.gz WLCLQKGXMYEISZ-YIYPIFLZSA-N -1 0 333.428 3.514 20 0 EHADRM CCSc1ccc(CC(=O)N=c2nc(C(C)(C)C)[n-]s2)cc1 ZINC000502981019 1028940713 /nfs/dbraw/zinc/94/07/13/1028940713.db2.gz IKMNTBLBEMYEHF-UHFFFAOYSA-N -1 0 335.498 3.551 20 0 EHADRM O=S(=O)([N-]c1ccc2c[nH]nc2c1)c1c(Cl)cccc1Cl ZINC000016130628 1028963129 /nfs/dbraw/zinc/96/31/29/1028963129.db2.gz KMNUKEZTUNDXGE-UHFFFAOYSA-N -1 0 342.207 3.671 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000421971469 1028971120 /nfs/dbraw/zinc/97/11/20/1028971120.db2.gz UOQJAEDYUAMAOQ-ZETCQYMHSA-N -1 0 341.251 3.614 20 0 EHADRM Cc1ccc([C@H](NC(=O)N=c2[n-]nc(CC(C)C)s2)C2CC2)cc1 ZINC000503054285 1029025981 /nfs/dbraw/zinc/02/59/81/1029025981.db2.gz RPGABVKQTCWJGV-INIZCTEOSA-N -1 0 344.484 3.740 20 0 EHADRM CC(C)Oc1ccc(Cl)cc1NC(=O)NCCC(C)(C)C(=O)[O-] ZINC000424391894 1029027375 /nfs/dbraw/zinc/02/73/75/1029027375.db2.gz ROKQOAASZNHIBI-UHFFFAOYSA-N -1 0 342.823 3.750 20 0 EHADRM O=C([O-])[C@@H](CC(=O)N1CCC[C@H]1c1cccs1)c1ccccc1 ZINC000634853444 1029033059 /nfs/dbraw/zinc/03/30/59/1029033059.db2.gz PMNBCSFDGGPDCZ-GJZGRUSLSA-N -1 0 329.421 3.670 20 0 EHADRM CCC(CC)(CNC(=O)NC1(c2cccc(Cl)c2)CC1)C(=O)[O-] ZINC000424422408 1029048367 /nfs/dbraw/zinc/04/83/67/1029048367.db2.gz FUFDZXSSIYUQCW-UHFFFAOYSA-N -1 0 338.835 3.519 20 0 EHADRM CC(C)C[C@H](C)n1nccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000524297369 1029059017 /nfs/dbraw/zinc/05/90/17/1029059017.db2.gz UCWUDJQFIODGCY-NSHDSACASA-N -1 0 343.399 3.569 20 0 EHADRM Cc1c2ccccc2nc(N2CC[C@H]3CC[C@@H](C2)S3)c1C(=O)[O-] ZINC000629384305 1029157569 /nfs/dbraw/zinc/15/75/69/1029157569.db2.gz MYSZXGYEGFQQPG-OLZOCXBDSA-N -1 0 328.437 3.716 20 0 EHADRM COC1(C)CCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CC1 ZINC000271793919 1029174390 /nfs/dbraw/zinc/17/43/90/1029174390.db2.gz VJYXBBLOVMQNOM-UHFFFAOYSA-N -1 0 333.815 3.840 20 0 EHADRM O=C(N=c1[n-]nc(CC2CCCCC2)s1)c1cc2[nH]ccc2s1 ZINC000475636682 1029203818 /nfs/dbraw/zinc/20/38/18/1029203818.db2.gz IHABKLNMMTXHIO-UHFFFAOYSA-N -1 0 346.481 3.878 20 0 EHADRM CC(C)[C@H](C(=O)[O-])[C@@H](C)[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000424615280 1029204644 /nfs/dbraw/zinc/20/46/44/1029204644.db2.gz DIBACMPKBWXQEV-DYVFJYSZSA-N -1 0 348.468 3.557 20 0 EHADRM CCCCS[C@H](C)C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000271898202 1029220541 /nfs/dbraw/zinc/22/05/41/1029220541.db2.gz WYJKPKDRIVYTQU-CYBMUJFWSA-N -1 0 339.457 3.791 20 0 EHADRM COC[C@H](C)Oc1cccc(-c2ccc(C(=O)CCC(=O)[O-])cc2)c1 ZINC000583215135 1029260722 /nfs/dbraw/zinc/26/07/22/1029260722.db2.gz MGHPZTUJIPZVFV-AWEZNQCLSA-N -1 0 342.391 3.815 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N=c3[n-]nc(-c4ccsc4)s3)cc2c1 ZINC000524526917 1029268664 /nfs/dbraw/zinc/26/86/64/1029268664.db2.gz IHVZWTQQHJUWCA-UHFFFAOYSA-N -1 0 340.433 3.731 20 0 EHADRM COc1cc(C(=O)Nc2cc(C(C)=O)ccc2[O-])ccc1OC(C)C ZINC000272174271 1029346829 /nfs/dbraw/zinc/34/68/29/1029346829.db2.gz ZDXQRYHCHLNARJ-UHFFFAOYSA-N -1 0 343.379 3.643 20 0 EHADRM COc1ccc2sc(C(=O)N3CCC[C@@H](CC(=O)[O-])C3)c(C)c2c1 ZINC000533197082 1029438365 /nfs/dbraw/zinc/43/83/65/1029438365.db2.gz CMSRVKQKLMUHGE-LBPRGKRZSA-N -1 0 347.436 3.545 20 0 EHADRM CCCC[C@H](C)N(C)C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000615066146 1029450700 /nfs/dbraw/zinc/45/07/00/1029450700.db2.gz QKMCKEMJNVHZRX-NSHDSACASA-N -1 0 337.370 3.507 20 0 EHADRM CCc1oc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1C(=O)[O-] ZINC000261703009 1029486924 /nfs/dbraw/zinc/48/69/24/1029486924.db2.gz UCIQFTCSWBFXPB-AWEZNQCLSA-N -1 0 331.343 3.657 20 0 EHADRM CCc1oc(C(=O)N2CCC[C@H]2c2ccc(OC)cc2)cc1C(=O)[O-] ZINC000261739546 1029493689 /nfs/dbraw/zinc/49/36/89/1029493689.db2.gz ZFOFYHQIDPMYAX-HNNXBMFYSA-N -1 0 343.379 3.526 20 0 EHADRM COCCN(C(=O)c1cccc(C(F)(F)F)c1[O-])[C@@H]1CC[C@@H](C)C1 ZINC000583272905 1029501266 /nfs/dbraw/zinc/50/12/66/1029501266.db2.gz YNPGGQNAOFUJGD-VXGBXAGGSA-N -1 0 345.361 3.688 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc(Br)c(F)cc2[O-])[C@H](C)C1 ZINC000425038572 1029501411 /nfs/dbraw/zinc/50/14/11/1029501411.db2.gz YEKDLLLPVCWACJ-RKDXNWHRSA-N -1 0 330.197 3.554 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)C(F)(F)F ZINC000446348116 1029589273 /nfs/dbraw/zinc/58/92/73/1029589273.db2.gz HZGCNZHWKBAFIB-KSBSHMNSSA-N -1 0 327.705 3.892 20 0 EHADRM Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1Cl ZINC000262807114 1029637274 /nfs/dbraw/zinc/63/72/74/1029637274.db2.gz DDWYHGSUDSKFTD-CVEARBPZSA-N -1 0 343.810 3.589 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000262809139 1029637371 /nfs/dbraw/zinc/63/73/71/1029637371.db2.gz AYKBETDFBLXPSP-AGKHESDQSA-N -1 0 341.810 3.588 20 0 EHADRM CCC(CC)[C@H](c1ccc(Cl)cc1)N(C)C(=O)N=c1ncn(C)[n-]1 ZINC000455589143 1029637779 /nfs/dbraw/zinc/63/77/79/1029637779.db2.gz WTDXIXWQWRNJCI-OAHLLOKOSA-N -1 0 349.866 3.532 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc(-n3ncc4ccccc43)cc2)CCC1 ZINC000262828891 1029642229 /nfs/dbraw/zinc/64/22/29/1029642229.db2.gz QETARDVNWUYGCF-UHFFFAOYSA-N -1 0 349.390 3.609 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)CCCC2CCCC2)C[C@H]1c1ccccc1 ZINC000262874701 1029647394 /nfs/dbraw/zinc/64/73/94/1029647394.db2.gz JZBVDBPDLYSCKK-ZWKOTPCHSA-N -1 0 329.440 3.674 20 0 EHADRM CC[C@@H](CC(=O)N1CC[C@@](C(=O)[O-])(C(C)C)C1)c1ccc(C)cc1 ZINC000262943254 1029651497 /nfs/dbraw/zinc/65/14/97/1029651497.db2.gz KVMOZIDBZIWUGQ-JXFKEZNVSA-N -1 0 331.456 3.838 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@H](C)Cc1cccc(Cl)c1 ZINC000262983684 1029654026 /nfs/dbraw/zinc/65/40/26/1029654026.db2.gz RJGHYRBFXJBGAN-GFCCVEGCSA-N -1 0 325.836 3.668 20 0 EHADRM Cc1nc(-c2ccccc2)ccc1C(=O)NC1(CC(=O)[O-])CCCC1 ZINC000263014529 1029656290 /nfs/dbraw/zinc/65/62/90/1029656290.db2.gz XNJIFAAQEPIDRX-UHFFFAOYSA-N -1 0 338.407 3.574 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)cc1F ZINC000263162772 1029669968 /nfs/dbraw/zinc/66/99/68/1029669968.db2.gz INDCNBGRGULRLP-NWDGAFQWSA-N -1 0 347.308 3.760 20 0 EHADRM Cc1csc(-c2ccc(NC(=O)[C@@H]3CC[C@H](C(=O)[O-])C3)cc2)n1 ZINC000263166883 1029670336 /nfs/dbraw/zinc/67/03/36/1029670336.db2.gz FLYZNEKOQVWUTH-OLZOCXBDSA-N -1 0 330.409 3.558 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000263208555 1029674977 /nfs/dbraw/zinc/67/49/77/1029674977.db2.gz ZJIXCEPLGDSCOU-ZYHUDNBSSA-N -1 0 344.238 3.638 20 0 EHADRM CCN=c1[n-]nc(S[C@@H](C)C(=O)c2ccc(C(C)C)cc2)s1 ZINC000525109480 1029680611 /nfs/dbraw/zinc/68/06/11/1029680611.db2.gz KIIFYOLTZVUXJT-NSHDSACASA-N -1 0 335.498 3.879 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)CCCc1csc2ccccc12 ZINC000263359756 1029690240 /nfs/dbraw/zinc/69/02/40/1029690240.db2.gz RRCVVWMCUPZFDY-UKRRQHHQSA-N -1 0 345.464 3.936 20 0 EHADRM Cc1ccc(C)c(OCCCCC(=O)N2CCC[C@@](C)(C(=O)[O-])C2)c1 ZINC000263353221 1029690428 /nfs/dbraw/zinc/69/04/28/1029690428.db2.gz WEIRCIFEIRJJDK-HXUWFJFHSA-N -1 0 347.455 3.566 20 0 EHADRM CCN(CC(C)(C)C)C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263377234 1029692837 /nfs/dbraw/zinc/69/28/37/1029692837.db2.gz CDURCIRKXSHENV-MRXNPFEDSA-N -1 0 334.460 3.540 20 0 EHADRM Cc1sc(C(=O)N[C@H](C)[C@@H](C)C(=O)[O-])cc1-c1ccc(F)cc1 ZINC000263391987 1029693039 /nfs/dbraw/zinc/69/30/39/1029693039.db2.gz CYZYCDRFHJVAAN-NXEZZACHSA-N -1 0 335.400 3.702 20 0 EHADRM CC1(C)C[C@H](NC(=O)CC2(CC(=O)[O-])CCC2)c2cc(F)ccc2O1 ZINC000634924979 1029693331 /nfs/dbraw/zinc/69/33/31/1029693331.db2.gz MQHPMYPSDHCCDZ-AWEZNQCLSA-N -1 0 349.402 3.579 20 0 EHADRM CCC(C)(C)NC(=O)c1ccc(NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000263426510 1029695769 /nfs/dbraw/zinc/69/57/69/1029695769.db2.gz QSIRPRSCKQXHRC-UHFFFAOYSA-N -1 0 340.423 3.915 20 0 EHADRM CCc1nc2cc(CNc3cccc(C(=O)[O-])n3)ccc2n1C1CC1 ZINC000263430405 1029696485 /nfs/dbraw/zinc/69/64/85/1029696485.db2.gz SOVHVTWDUBABAO-UHFFFAOYSA-N -1 0 336.395 3.639 20 0 EHADRM CCc1c(C)sc(NC(=O)c2sccc2COC)c1C(=O)[O-] ZINC000263432798 1029697608 /nfs/dbraw/zinc/69/76/08/1029697608.db2.gz LAKHXWRFIOIXCJ-UHFFFAOYSA-N -1 0 339.438 3.777 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)CCCCC1 ZINC000583359870 1029701021 /nfs/dbraw/zinc/70/10/21/1029701021.db2.gz XQEMWGMDXLOGDY-LSDHHAIUSA-N -1 0 335.831 3.737 20 0 EHADRM Cc1nc(C=Cc2csc3ccccc23)[nH]c(=O)c1CC(=O)[O-] ZINC000347392490 1029723789 /nfs/dbraw/zinc/72/37/89/1029723789.db2.gz RNVZUKGWVMPCJK-SREVYHEPSA-N -1 0 326.377 3.503 20 0 EHADRM C[C@@H]1CCCCCN1C(=O)N=c1[n-]nc(/C=C/c2ccco2)s1 ZINC000343210586 1029767946 /nfs/dbraw/zinc/76/79/46/1029767946.db2.gz CNDMGUROMMJRQD-IDVQTMNDSA-N -1 0 332.429 3.520 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)c1 ZINC000080311268 1029800503 /nfs/dbraw/zinc/80/05/03/1029800503.db2.gz XDBKYAOKOYYUCF-UHFFFAOYSA-N -1 0 346.383 3.954 20 0 EHADRM O=C(Nc1ccc(-c2cc(=O)[nH][nH]2)cc1)c1cc(F)c(Cl)cc1F ZINC000343229887 1029826597 /nfs/dbraw/zinc/82/65/97/1029826597.db2.gz HKAOZNUTRFKVGU-UHFFFAOYSA-N -1 0 349.724 3.966 20 0 EHADRM CCc1[nH]nc([N-]S(=O)(=O)c2cccs2)c1-c1cccs1 ZINC000446954153 1029863024 /nfs/dbraw/zinc/86/30/24/1029863024.db2.gz KWWXTZRWIUFKQZ-UHFFFAOYSA-N -1 0 339.467 3.563 20 0 EHADRM Cc1cccc(N=c2[n-]nc(SC[C@@H]3CCO[C@H](C)C3)s2)c1 ZINC000447112355 1029928319 /nfs/dbraw/zinc/92/83/19/1029928319.db2.gz VIJFNEZLSZEKOX-CHWSQXEVSA-N -1 0 335.498 3.919 20 0 EHADRM CCn1cc(CC(=O)Nc2cc(C(=O)[O-])ccc2C)c2ccccc21 ZINC000120230490 1029949217 /nfs/dbraw/zinc/94/92/17/1029949217.db2.gz YXDSWSFQNQGTDW-UHFFFAOYSA-N -1 0 336.391 3.849 20 0 EHADRM CCCCc1nnc([N-]S(=O)(=O)c2cc(C)ccc2Cl)s1 ZINC000120360704 1029967687 /nfs/dbraw/zinc/96/76/87/1029967687.db2.gz LBBGPZVJWZSPIC-UHFFFAOYSA-N -1 0 345.877 3.643 20 0 EHADRM CO[C@@H](C)c1nc(=NCC2(c3ccc(Cl)cc3)CCC2)s[n-]1 ZINC000509695239 1029968288 /nfs/dbraw/zinc/96/82/88/1029968288.db2.gz CNJVWSVXEPDGNW-NSHDSACASA-N -1 0 337.876 3.855 20 0 EHADRM c1cc(-c2nc(CN=c3[n-]nc(-c4ccccc4)o3)cs2)cs1 ZINC000508587680 1030013571 /nfs/dbraw/zinc/01/35/71/1030013571.db2.gz LHMJPCAPJTVOOQ-UHFFFAOYSA-N -1 0 340.433 3.956 20 0 EHADRM C[C@@H]1C[C@@H](CSc2n[n-]c(=Nc3cccc(F)c3)s2)CCO1 ZINC000447305107 1030102399 /nfs/dbraw/zinc/10/23/99/1030102399.db2.gz KPCWOBRSSHGRRY-MNOVXSKESA-N -1 0 339.461 3.750 20 0 EHADRM CCN(C(=O)N=c1[n-]nc(-c2ccc(OC)cc2)s1)[C@@H](C)C(C)C ZINC000481956920 1030132242 /nfs/dbraw/zinc/13/22/42/1030132242.db2.gz MUWMIFHZPGQJHP-LBPRGKRZSA-N -1 0 348.472 3.534 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N3[C@H](C)CC[C@H]3C)s2)c1 ZINC000481956652 1030133070 /nfs/dbraw/zinc/13/30/70/1030133070.db2.gz LPZUYXUFYAYCCI-CHWSQXEVSA-N -1 0 330.457 3.649 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N(C)CCC3CC3)s2)c1 ZINC000481973811 1030140648 /nfs/dbraw/zinc/14/06/48/1030140648.db2.gz NBCJCQXJJYEZGC-UHFFFAOYSA-N -1 0 330.457 3.508 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]c1c(C)cccc1OC(F)F ZINC000481982757 1030145658 /nfs/dbraw/zinc/14/56/58/1030145658.db2.gz QPGLHNQHERYWKZ-UHFFFAOYSA-N -1 0 327.352 3.706 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc(Cl)ccc2F)s1 ZINC000042316811 1030146235 /nfs/dbraw/zinc/14/62/35/1030146235.db2.gz PICQLOSNTQDTNN-UHFFFAOYSA-N -1 0 333.793 3.543 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N(C)CC(C)(C)C)s2)c1 ZINC000481965945 1030147068 /nfs/dbraw/zinc/14/70/68/1030147068.db2.gz OGDHDNGHBVZIBR-UHFFFAOYSA-N -1 0 332.473 3.754 20 0 EHADRM c1ccc(-c2n[n-]c(=NCc3cccc(-c4cccnc4)c3)o2)cc1 ZINC000508596681 1030191928 /nfs/dbraw/zinc/19/19/28/1030191928.db2.gz DGMSZHXPYCBDQG-UHFFFAOYSA-N -1 0 328.375 3.833 20 0 EHADRM Cc1sc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1-c1ccc(F)cc1 ZINC000128562940 1030208297 /nfs/dbraw/zinc/20/82/97/1030208297.db2.gz IQLJVDXMNUUGKI-CYBMUJFWSA-N -1 0 347.411 3.799 20 0 EHADRM CCOc1ccc(CN=c2[n-]nc(-c3ccccc3)o2)cc1OCC ZINC000508599777 1030224270 /nfs/dbraw/zinc/22/42/70/1030224270.db2.gz SQYGLFJQRIEVNS-UHFFFAOYSA-N -1 0 339.395 3.568 20 0 EHADRM COC[C@@H](N=c1nc(CC(C)C)[n-]s1)c1cccc(Cl)c1 ZINC000583655827 1030386783 /nfs/dbraw/zinc/38/67/83/1030386783.db2.gz UMKGCBDRHYFIQN-CYBMUJFWSA-N -1 0 325.865 3.612 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1ccc(SC)c(Cl)c1 ZINC000121834617 1030411160 /nfs/dbraw/zinc/41/11/60/1030411160.db2.gz LMAMXYWQDXZQQZ-UHFFFAOYSA-N -1 0 349.886 3.933 20 0 EHADRM Cc1ccc(Nc2nc(Cl)cnc2Br)cc1C(=O)[O-] ZINC001211594315 1030479565 /nfs/dbraw/zinc/47/95/65/1030479565.db2.gz RTBQFSASUGXIBT-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)c3cc4cc(C)ccc4nc3C)[nH][n-]2)o1 ZINC000447799328 1030483132 /nfs/dbraw/zinc/48/31/32/1030483132.db2.gz HQPGOYZHFYZYPG-UHFFFAOYSA-N -1 0 346.390 3.817 20 0 EHADRM COc1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1C(F)(F)F ZINC000447788967 1030489403 /nfs/dbraw/zinc/48/94/03/1030489403.db2.gz SAYYMEUUZFNXNQ-UHFFFAOYSA-N -1 0 345.342 3.823 20 0 EHADRM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccc(F)cc1C ZINC000476601625 1030515210 /nfs/dbraw/zinc/51/52/10/1030515210.db2.gz TXXFPUKOOAEFNK-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM C[C@H]1CCCC[C@@H]1N(C)C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000532281100 1030532894 /nfs/dbraw/zinc/53/28/94/1030532894.db2.gz SWNKDAKIJMIUGY-JSGCOSHPSA-N -1 0 330.457 3.669 20 0 EHADRM CCS[C@H]1CCC[C@H]1NC(=O)c1cccc(Br)c1[O-] ZINC000532284690 1030535094 /nfs/dbraw/zinc/53/50/94/1030535094.db2.gz XPFFYMFHEOVTJV-NEPJUHHUSA-N -1 0 344.274 3.559 20 0 EHADRM O=c1nc(-c2cc(O)cc(F)c2)[n-]c2c(-c3ccccc3)nsc21 ZINC000685189938 1030546872 /nfs/dbraw/zinc/54/68/72/1030546872.db2.gz UVGNQGKPXMSLQF-UHFFFAOYSA-N -1 0 339.351 3.558 20 0 EHADRM CCCc1nc(=NC(=O)N2C[C@H](c3ccc(C)cc3)C[C@H]2C)s[n-]1 ZINC000583721856 1030563682 /nfs/dbraw/zinc/56/36/82/1030563682.db2.gz TXYFKZTUEIRXJE-UKRRQHHQSA-N -1 0 344.484 3.631 20 0 EHADRM C[C@@H](NC(=O)N=c1nc(-c2ccsc2)[n-]s1)c1ccccc1 ZINC000447988443 1030643433 /nfs/dbraw/zinc/64/34/33/1030643433.db2.gz GFPGWJOFICDOQQ-SNVBAGLBSA-N -1 0 330.438 3.571 20 0 EHADRM C[C@@H]1CCN(C(=O)N=c2[n-]nc(/C=C\c3ccco3)s2)C[C@@H](C)C1 ZINC000343390422 1030655304 /nfs/dbraw/zinc/65/53/04/1030655304.db2.gz CVWSFLUMSZKNIF-QLQVPFRHSA-N -1 0 346.456 3.623 20 0 EHADRM Cc1ccccc1Nc1nc(CN2CCCC[C@H]2C(=O)[O-])cs1 ZINC000568054585 1030668989 /nfs/dbraw/zinc/66/89/89/1030668989.db2.gz WTVYSLSZYSGPPC-HNNXBMFYSA-N -1 0 331.441 3.634 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)cc1 ZINC000194485811 1030703837 /nfs/dbraw/zinc/70/38/37/1030703837.db2.gz PXSYWAMXRQBGSE-YADARESESA-N -1 0 347.455 3.755 20 0 EHADRM O=C([O-])CCCCCN1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000568068094 1030717400 /nfs/dbraw/zinc/71/74/00/1030717400.db2.gz CXELQUHHBWCJQQ-HNNXBMFYSA-N -1 0 345.361 3.724 20 0 EHADRM COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000061076045 1030723567 /nfs/dbraw/zinc/72/35/67/1030723567.db2.gz BECNMKIETQACBW-SNVBAGLBSA-N -1 0 335.787 3.554 20 0 EHADRM Clc1cccc(-c2noc(=NCc3ccc4ccccc4n3)[n-]2)c1 ZINC000583785196 1030748456 /nfs/dbraw/zinc/74/84/56/1030748456.db2.gz RELMYAZTMZOEPS-UHFFFAOYSA-N -1 0 336.782 3.972 20 0 EHADRM CC[C@@H](NC(=O)N=c1nc(SC)[n-]s1)c1ccc(Cl)s1 ZINC000476644815 1030763173 /nfs/dbraw/zinc/76/31/73/1030763173.db2.gz RRCSJLKTQGQKJR-ZCFIWIBFSA-N -1 0 348.906 3.670 20 0 EHADRM CC(C)[C@@H](NC(=O)N=c1ccc(C2CC2)n[n-]1)c1ccc(Cl)cc1 ZINC000448151293 1030772139 /nfs/dbraw/zinc/77/21/39/1030772139.db2.gz MDTXUKAKXIGSPU-QGZVFWFLSA-N -1 0 344.846 3.948 20 0 EHADRM Cc1cc(C(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)ccc1Cl ZINC000583814890 1030823119 /nfs/dbraw/zinc/82/31/19/1030823119.db2.gz PTKLNUYVKHQBRW-LJQANCHMSA-N -1 0 343.810 3.517 20 0 EHADRM Cc1cccc(NS(=O)(=O)Cc2ccc(Cl)cc2Cl)n1 ZINC000194569478 1030891039 /nfs/dbraw/zinc/89/10/39/1030891039.db2.gz LLZCNFFQNPDOQH-UHFFFAOYSA-N -1 0 331.224 3.639 20 0 EHADRM COc1ccc(CN(C)C(=O)c2cc(F)c([O-])c(Cl)c2)cc1C ZINC000194584100 1030920890 /nfs/dbraw/zinc/92/08/90/1030920890.db2.gz FPQGWTBNMUJDHA-UHFFFAOYSA-N -1 0 337.778 3.774 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@H]2SCCc3ccccc32)c1 ZINC000262824758 1030922104 /nfs/dbraw/zinc/92/21/04/1030922104.db2.gz AZUNXRRGXDRARR-PXAZEXFGSA-N -1 0 341.432 3.844 20 0 EHADRM Cc1cc([C@H](C)NC(=O)N=c2ccc(-c3ccccc3)n[n-]2)c(C)o1 ZINC000343451346 1030948366 /nfs/dbraw/zinc/94/83/66/1030948366.db2.gz YCAIDACMZBDHLQ-ZDUSSCGKSA-N -1 0 336.395 3.658 20 0 EHADRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000162363276 1031027409 /nfs/dbraw/zinc/02/74/09/1031027409.db2.gz RZSAEJJOHFSWQG-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM COc1ccccc1-c1n[n-]c(=NCc2ccc(C(F)F)cc2)o1 ZINC000551090340 1031032486 /nfs/dbraw/zinc/03/24/86/1031032486.db2.gz BKHLPGXHKBGOQG-UHFFFAOYSA-N -1 0 331.322 3.717 20 0 EHADRM CC1(C)CCN(C(=O)c2cccc(C(F)(F)F)c2[O-])CCS1 ZINC000583882006 1031032944 /nfs/dbraw/zinc/03/29/44/1031032944.db2.gz ROQMYSQDJHXWLJ-UHFFFAOYSA-N -1 0 333.375 3.769 20 0 EHADRM Cn1ccc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3F)cc21 ZINC000551107216 1031040318 /nfs/dbraw/zinc/04/03/18/1031040318.db2.gz NIDHIHZJRKRMMP-UHFFFAOYSA-N -1 0 338.791 3.772 20 0 EHADRM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(C(C)(C)C)on1 ZINC000476909163 1031064043 /nfs/dbraw/zinc/06/40/43/1031064043.db2.gz AUTGQAVTEKQTDZ-UHFFFAOYSA-N -1 0 328.821 3.735 20 0 EHADRM CCCCc1nnc([N-]C(=O)c2cc(-c3ccc(F)cc3)no2)s1 ZINC000666968604 1031096833 /nfs/dbraw/zinc/09/68/33/1031096833.db2.gz SCJAFXVUFQANHW-UHFFFAOYSA-N -1 0 346.387 3.927 20 0 EHADRM CO[C@H](c1ccccc1Cl)[C@@H](C)N=c1[n-]nc(C(C)C)s1 ZINC000477045350 1031212246 /nfs/dbraw/zinc/21/22/46/1031212246.db2.gz IKSXPGSLYPIPLU-MFKMUULPSA-N -1 0 325.865 3.925 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)c(C)c1 ZINC000483572112 1031222095 /nfs/dbraw/zinc/22/20/95/1031222095.db2.gz DZIMHSGVCDSPPW-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM COCc1n[n-]c(=NCc2ccccc2Oc2ccccc2C)s1 ZINC000477098749 1031253689 /nfs/dbraw/zinc/25/36/89/1031253689.db2.gz IZUMELVOQPQRJF-UHFFFAOYSA-N -1 0 341.436 3.819 20 0 EHADRM Cc1ccccc1-c1cc(NC(=O)c2c([O-])cc(F)cc2F)n[nH]1 ZINC000065318057 1031287996 /nfs/dbraw/zinc/28/79/96/1031287996.db2.gz PTYUHYYGGSSFHQ-UHFFFAOYSA-N -1 0 329.306 3.621 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)Cc1cccc(C2CC2)c1)c1ccccc1 ZINC000668272533 1031370890 /nfs/dbraw/zinc/37/08/90/1031370890.db2.gz GXVZMCLYEDSQDU-VBKZILBWSA-N -1 0 337.419 3.685 20 0 EHADRM Cc1c(Cl)cccc1OCC(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000738202581 1031388832 /nfs/dbraw/zinc/38/88/32/1031388832.db2.gz SCVNHRADWMOQHI-YFHOEESVSA-N -1 0 345.782 3.764 20 0 EHADRM Cc1ccccc1-c1nc(=NC[C@H](CCO)c2ccccc2)s[n-]1 ZINC000527901900 1031426609 /nfs/dbraw/zinc/42/66/09/1031426609.db2.gz MKOKVMMTFLSSQP-INIZCTEOSA-N -1 0 339.464 3.514 20 0 EHADRM Cc1ccccc1-c1nc(=NC[C@@H](CCO)c2ccccc2)s[n-]1 ZINC000527901904 1031427662 /nfs/dbraw/zinc/42/76/62/1031427662.db2.gz MKOKVMMTFLSSQP-MRXNPFEDSA-N -1 0 339.464 3.514 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N[C@H](C2CCCCC2)C(F)(F)F)CC1 ZINC000668301724 1031434201 /nfs/dbraw/zinc/43/42/01/1031434201.db2.gz QNOQWGIDFPAEEZ-ABIUDSBCSA-N -1 0 349.393 3.895 20 0 EHADRM CC[C@H]1CCCN(C(=O)N=c2[n-]nc(/C=C/c3ccco3)s2)CC1 ZINC000484109259 1031461955 /nfs/dbraw/zinc/46/19/55/1031461955.db2.gz IMRNBNSELOXVCM-GWJCSSMESA-N -1 0 346.456 3.767 20 0 EHADRM COc1cc(F)c(NC(=O)c2cc(F)c([O-])c(Cl)c2)cc1F ZINC000194837096 1031560860 /nfs/dbraw/zinc/56/08/60/1031560860.db2.gz UXBOXVUMCPQTLS-UHFFFAOYSA-N -1 0 331.677 3.724 20 0 EHADRM CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000484429469 1031578832 /nfs/dbraw/zinc/57/88/32/1031578832.db2.gz GUCFKHBQTSJTPJ-UHFFFAOYSA-N -1 0 347.484 3.671 20 0 EHADRM COc1ccc(CCC(=O)[O-])cc1NCc1cc(C)cnc1Cl ZINC000904014009 1031599037 /nfs/dbraw/zinc/59/90/37/1031599037.db2.gz MDFLPMPHXPKIAK-UHFFFAOYSA-N -1 0 334.803 3.681 20 0 EHADRM COc1cc(C)cc(CNc2ccc(C(C)(C)C(=O)[O-])cc2)c1OC ZINC000904013793 1031599097 /nfs/dbraw/zinc/59/90/97/1031599097.db2.gz JMQQBWQQDYQTSR-UHFFFAOYSA-N -1 0 343.423 3.987 20 0 EHADRM O=S(=O)([N-]c1noc2cc(Cl)ccc21)c1ccc(F)c(F)c1 ZINC000584059026 1031603278 /nfs/dbraw/zinc/60/32/78/1031603278.db2.gz XRCYJCPSGSCXTB-UHFFFAOYSA-N -1 0 344.726 3.560 20 0 EHADRM O=C([O-])[C@H](NCc1nc2cc(F)ccc2o1)C(C1CCC1)C1CCC1 ZINC000904017881 1031609455 /nfs/dbraw/zinc/60/94/55/1031609455.db2.gz MCZSJNWNLBSQGE-GOSISDBHSA-N -1 0 346.402 3.726 20 0 EHADRM CC(C)[C@@H]1C[C@](NCc2cnc(C3CC3)o2)(C(=O)[O-])c2ccccc21 ZINC000904010891 1031629224 /nfs/dbraw/zinc/62/92/24/1031629224.db2.gz ROIVGCWBQNDYOL-OXJNMPFZSA-N -1 0 340.423 3.765 20 0 EHADRM COc1ccc2nc(CN[C@@H](CCCC(C)C)C(=O)[O-])sc2c1 ZINC000904037045 1031649897 /nfs/dbraw/zinc/64/98/97/1031649897.db2.gz UXNBKUKOUKJKRP-AWEZNQCLSA-N -1 0 336.457 3.674 20 0 EHADRM CSCc1cnc(CN[C@H](CC(=O)[O-])c2cccc(C)c2)s1 ZINC000904044472 1031662092 /nfs/dbraw/zinc/66/20/92/1031662092.db2.gz ARHSVXRPPGIODL-CQSZACIVSA-N -1 0 336.482 3.620 20 0 EHADRM O=C([O-])C[C@@H](NCc1cc(Cl)cc2c1OCC2)c1ccccc1F ZINC000904046221 1031667658 /nfs/dbraw/zinc/66/76/58/1031667658.db2.gz XRVDYSRRRCVIFA-MRXNPFEDSA-N -1 0 349.789 3.720 20 0 EHADRM Brc1ccc(/C=C/CCN=c2[n-]nc(C3CC3)o2)cc1 ZINC000528085396 1031682326 /nfs/dbraw/zinc/68/23/26/1031682326.db2.gz VRBMUNIAJGIACV-HNQUOIGGSA-N -1 0 334.217 3.647 20 0 EHADRM CC[C@H](NCc1ccc(F)c(C(F)(F)F)c1)c1nc(C(=O)[O-])c[nH]1 ZINC000904066096 1031691720 /nfs/dbraw/zinc/69/17/20/1031691720.db2.gz XJJHSFIEPRFAGX-NSHDSACASA-N -1 0 345.296 3.507 20 0 EHADRM CCc1onc(C)c1[N-]C(=O)c1snnc1-c1ccccc1C ZINC000904070356 1031696432 /nfs/dbraw/zinc/69/64/32/1031696432.db2.gz URBDLADAWQLHOP-UHFFFAOYSA-N -1 0 328.397 3.625 20 0 EHADRM [O-]c1c(F)cccc1-c1nc(C2(c3ccccc3)CCOCC2)no1 ZINC000904070810 1031698582 /nfs/dbraw/zinc/69/85/82/1031698582.db2.gz AFKANCSOYRLKTN-UHFFFAOYSA-N -1 0 340.354 3.678 20 0 EHADRM Cc1ccncc1[N-]S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC000085235333 1031719600 /nfs/dbraw/zinc/71/96/00/1031719600.db2.gz KUOGYXHNIJCPQP-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)ccc1F ZINC000085235269 1031720263 /nfs/dbraw/zinc/72/02/63/1031720263.db2.gz QUTKSUISDMVUBN-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM CC1(C)CCC(CC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)CC1 ZINC000262930484 1031730123 /nfs/dbraw/zinc/73/01/23/1031730123.db2.gz JXGPJOQIIFORPC-QGZVFWFLSA-N -1 0 329.440 3.804 20 0 EHADRM CO[C@H](C)c1nc(=Nc2ccc3c(c2)CCC2(CCC2)O3)s[n-]1 ZINC000528112193 1031741429 /nfs/dbraw/zinc/74/14/29/1031741429.db2.gz CIVLXODXMFCIAZ-LLVKDONJSA-N -1 0 331.441 3.659 20 0 EHADRM O=C([O-])N[C@H]1C[C@H](Nc2ccc(OC(F)(F)F)cc2)C12CCC2 ZINC000904194460 1031840136 /nfs/dbraw/zinc/84/01/36/1031840136.db2.gz HECUCCQLOBEQPF-RYUDHWBXSA-N -1 0 330.306 3.576 20 0 EHADRM O=C([O-])N[C@@H]1C[C@H](Nc2ccccc2OCC(F)(F)F)C12CCC2 ZINC000904200107 1031847061 /nfs/dbraw/zinc/84/70/61/1031847061.db2.gz RARQLJXEKCGOIF-QWHCGFSZSA-N -1 0 344.333 3.618 20 0 EHADRM CC(C)n1ncc2ccc(N[C@H]3C[C@@H](NC(=O)[O-])C34CCC4)cc21 ZINC000904229605 1031867536 /nfs/dbraw/zinc/86/75/36/1031867536.db2.gz LFCSSNXXLXCUIX-JKSUJKDBSA-N -1 0 328.416 3.608 20 0 EHADRM Cc1nn(C)c2sc(-c3nc(-c4ccc(O)cc4F)no3)cc12 ZINC000445455170 1031873000 /nfs/dbraw/zinc/87/30/00/1031873000.db2.gz OENVRPCLUQLUGA-UHFFFAOYSA-N -1 0 330.344 3.505 20 0 EHADRM COc1ccc2cc(N[C@H]3C[C@@H](NC(=O)[O-])C34CCC4)ccc2c1 ZINC000904239966 1031888169 /nfs/dbraw/zinc/88/81/69/1031888169.db2.gz QXZDTDPJYMKGMB-DLBZAZTESA-N -1 0 326.396 3.839 20 0 EHADRM Cc1cccc([C@@H](N=c2[n-]nc(C3CCOCC3)s2)C(C)C)c1 ZINC000528210528 1031908524 /nfs/dbraw/zinc/90/85/24/1031908524.db2.gz CGKNWKJYQCHHGH-INIZCTEOSA-N -1 0 331.485 3.972 20 0 EHADRM COc1ccccc1N=c1[n-]nc(S[C@H](C)c2ncc(C)o2)s1 ZINC000537795906 1031921409 /nfs/dbraw/zinc/92/14/09/1031921409.db2.gz RFTJQXHAKGXKGE-SNVBAGLBSA-N -1 0 348.453 3.862 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)C[C@H](C(=O)[O-])c2ccccc2)cc1F ZINC000666107716 1031927611 /nfs/dbraw/zinc/92/76/11/1031927611.db2.gz ZEHCNMIEZNABSR-CJNGLKHVSA-N -1 0 329.371 3.570 20 0 EHADRM CCc1cccc(C)c1NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000180961101 1031929751 /nfs/dbraw/zinc/92/97/51/1031929751.db2.gz BSXHCHUATCGJAD-UHFFFAOYSA-N -1 0 339.370 3.840 20 0 EHADRM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000181202694 1031954851 /nfs/dbraw/zinc/95/48/51/1031954851.db2.gz SZLSDWPCMNWGNC-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM CC(C)[C@H](C)CC(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000455911404 1031959651 /nfs/dbraw/zinc/95/96/51/1031959651.db2.gz BQJMTLYHQLTILQ-QMTHXVAHSA-N -1 0 331.334 3.787 20 0 EHADRM CC(C)c1ccc(C(=O)NC[C@@](C)(C(=O)[O-])c2ccc(F)cc2)s1 ZINC000448992797 1032000829 /nfs/dbraw/zinc/00/08/29/1032000829.db2.gz LRAHQJKTPBRNQX-GOSISDBHSA-N -1 0 349.427 3.783 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)c2occc2-c2ccc(F)cc2)C1 ZINC000448996936 1032002840 /nfs/dbraw/zinc/00/28/40/1032002840.db2.gz SJBADWWKODMDOT-LJQANCHMSA-N -1 0 345.370 3.659 20 0 EHADRM C[C@@](CNC(=O)c1sccc1C1CC1)(C(=O)[O-])c1ccc(F)cc1 ZINC000448996494 1032004679 /nfs/dbraw/zinc/00/46/79/1032004679.db2.gz RRGXFKNKCHBOSX-SFHVURJKSA-N -1 0 347.411 3.537 20 0 EHADRM COc1ccc([C@@H](N=c2nc(C3CCCC3)[n-]s2)C2CC2)cn1 ZINC000528282998 1032004800 /nfs/dbraw/zinc/00/48/00/1032004800.db2.gz ALXDHFAPVAMTIQ-HNNXBMFYSA-N -1 0 330.457 3.584 20 0 EHADRM COc1ccc2c(c1)CCC[C@H]2CC(=O)N[C@](C)(CC(=O)[O-])C(C)C ZINC000448999948 1032008139 /nfs/dbraw/zinc/00/81/39/1032008139.db2.gz XOGKNJVPYCXMOW-MGPUTAFESA-N -1 0 347.455 3.511 20 0 EHADRM CC(C)CC1(C(=O)NC[C@](C)(C(=O)[O-])c2ccc(F)cc2)CCC1 ZINC000448988105 1032018907 /nfs/dbraw/zinc/01/89/07/1032018907.db2.gz AJULXZMMKVHGMM-SFHVURJKSA-N -1 0 335.419 3.501 20 0 EHADRM CSCCCC(=O)N1CCC([C@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000598663395 1033361013 /nfs/dbraw/zinc/36/10/13/1033361013.db2.gz YBHGTULQZKACMA-QGZVFWFLSA-N -1 0 349.496 3.627 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 ZINC000263337189 1033367612 /nfs/dbraw/zinc/36/76/12/1033367612.db2.gz MQYJXXQAHFDSLD-NWDGAFQWSA-N -1 0 347.798 3.783 20 0 EHADRM COc1ccc(CCc2n[n-]c(=NCc3cc(C)ccc3C)o2)cc1 ZINC000537489873 1033369958 /nfs/dbraw/zinc/36/99/58/1033369958.db2.gz XKUDEPCSMYSBPV-UHFFFAOYSA-N -1 0 337.423 3.514 20 0 EHADRM Cc1cc(C)c(CN=c2[n-]nc([C@@H]3Cc4ccccc4O3)o2)c(C)c1 ZINC000537489524 1033371526 /nfs/dbraw/zinc/37/15/26/1033371526.db2.gz YHZSCHGPHTYLCA-SFHVURJKSA-N -1 0 335.407 3.705 20 0 EHADRM Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(-c2cn[nH]c2)c1 ZINC000761288919 1033478742 /nfs/dbraw/zinc/47/87/42/1033478742.db2.gz XZBVSLFDXOSQGD-UHFFFAOYSA-N -1 0 347.827 3.839 20 0 EHADRM CC(=O)c1ccc(NC(=O)c2ccc(Br)cc2[O-])cc1 ZINC000044483967 1033496377 /nfs/dbraw/zinc/49/63/77/1033496377.db2.gz NGAZMSDGHNAHBW-UHFFFAOYSA-N -1 0 334.169 3.610 20 0 EHADRM CC(C)Cc1n[n-]c(=NCc2cnc(-c3ccsc3)s2)s1 ZINC000537505659 1033513775 /nfs/dbraw/zinc/51/37/75/1033513775.db2.gz WMVZCWRTZUVMPK-UHFFFAOYSA-N -1 0 336.511 3.956 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)c2ccc(Cl)cc2F)c1 ZINC000059250655 1033513864 /nfs/dbraw/zinc/51/38/64/1033513864.db2.gz ODCQDLDFDLNVQA-UHFFFAOYSA-N -1 0 341.791 3.789 20 0 EHADRM CC(C)CN=c1[n-]nc(S[C@H](C(=O)C2CC2)c2ccccc2)s1 ZINC000574809969 1033567220 /nfs/dbraw/zinc/56/72/20/1033567220.db2.gz YHUJCYDBJMPZEB-HNNXBMFYSA-N -1 0 347.509 3.840 20 0 EHADRM COCc1cc(-c2ccc3c(c2)CC[C@]32C[C@@H]2C(=O)[O-])ccc1OC ZINC000574822699 1033575143 /nfs/dbraw/zinc/57/51/43/1033575143.db2.gz CHSXKHZPFNJETB-NQIIRXRSSA-N -1 0 338.403 3.797 20 0 EHADRM COc1ccc(S(=O)(=O)C=C([O-])c2ccc(C(C)(C)C)cc2)cc1 ZINC000685575667 1033585604 /nfs/dbraw/zinc/58/56/04/1033585604.db2.gz MSSKDURHRIMUAO-UHFFFAOYSA-N -1 0 346.448 3.649 20 0 EHADRM CCCN(CC(C)C)C(=O)N=c1[n-]nc(Cc2ccc(C)cc2)s1 ZINC000594937100 1033586562 /nfs/dbraw/zinc/58/65/62/1033586562.db2.gz GHEMYCCHLSPJNH-UHFFFAOYSA-N -1 0 346.500 3.759 20 0 EHADRM COc1cc(Nc2ccc(C(=O)[O-])cc2C)ccc1-n1cnc(C)c1 ZINC001211626585 1033590886 /nfs/dbraw/zinc/59/08/86/1033590886.db2.gz MRJHPYYXGWJFCV-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM CC1(C)CC[C@H](NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c2ccccc21 ZINC000608340023 1033619127 /nfs/dbraw/zinc/61/91/27/1033619127.db2.gz DWZWKHAWLMDDLN-KEYYUXOJSA-N -1 0 327.424 3.582 20 0 EHADRM COC(=O)c1cc(NC(=O)c2ccc(Cl)cc2[O-])ccc1Cl ZINC000603475506 1033658686 /nfs/dbraw/zinc/65/86/86/1033658686.db2.gz HITOIWZYUHBINX-UHFFFAOYSA-N -1 0 340.162 3.738 20 0 EHADRM CO[C@H]1Cc2ccc(NS(=O)(=O)c3cccc(C(C)C)c3)cc2C1 ZINC000783862029 1033697105 /nfs/dbraw/zinc/69/71/05/1033697105.db2.gz KPEFFQPHMSITMQ-SFHVURJKSA-N -1 0 345.464 3.724 20 0 EHADRM O=S(=O)([N-][C@H](c1ccccc1)C(F)F)c1cccc(Cl)c1F ZINC000431619577 1033713248 /nfs/dbraw/zinc/71/32/48/1033713248.db2.gz IRKMCSIBSBVSES-CYBMUJFWSA-N -1 0 349.761 3.764 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)C[C@@H](C)Cc2cccc(F)c2)c1 ZINC000476381642 1033714827 /nfs/dbraw/zinc/71/48/27/1033714827.db2.gz QMWWSFGEZGHPLC-LBPRGKRZSA-N -1 0 329.371 3.941 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)C[C@H](C)Cc2cccc(F)c2)c1 ZINC000476381641 1033715446 /nfs/dbraw/zinc/71/54/46/1033715446.db2.gz QMWWSFGEZGHPLC-GFCCVEGCSA-N -1 0 329.371 3.941 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)nc1 ZINC000116603609 1033718582 /nfs/dbraw/zinc/71/85/82/1033718582.db2.gz QPJXGPBGHTXBOT-UHFFFAOYSA-N -1 0 328.846 3.566 20 0 EHADRM CN(C(=O)Nc1cccc(C(F)F)c1)[C@H](C(=O)[O-])c1ccccc1 ZINC000574985643 1033752748 /nfs/dbraw/zinc/75/27/48/1033752748.db2.gz NFJWFIYWWMMRHR-AWEZNQCLSA-N -1 0 334.322 3.914 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(OC3CCCCC3)cc2)C[C@@]1(C)C(=O)[O-] ZINC000575062378 1033772929 /nfs/dbraw/zinc/77/29/29/1033772929.db2.gz IXSFSTGYRZMBOT-JLTOFOAXSA-N -1 0 345.439 3.581 20 0 EHADRM Cc1nc2ccc(Cl)cn2c1NC(=O)c1c([O-])cccc1Cl ZINC001168406330 1033821203 /nfs/dbraw/zinc/82/12/03/1033821203.db2.gz ZPAKHINLPQSRIQ-UHFFFAOYSA-N -1 0 336.178 3.907 20 0 EHADRM C[C@@H](c1ccccc1)N(C)C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000084382496 1033913058 /nfs/dbraw/zinc/91/30/58/1033913058.db2.gz BQWVQSQSYWXTMM-ZDUSSCGKSA-N -1 0 339.370 3.550 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c(C)c1 ZINC000055663419 1033978468 /nfs/dbraw/zinc/97/84/68/1033978468.db2.gz PHVCBHCCEQGGOL-UHFFFAOYSA-N -1 0 345.342 3.612 20 0 EHADRM COc1ccnc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c1 ZINC000534060231 1034087205 /nfs/dbraw/zinc/08/72/05/1034087205.db2.gz SBHGYUASBJTSMP-UHFFFAOYSA-N -1 0 340.404 3.558 20 0 EHADRM Cc1oc([C@@H](C)N(C)Cc2nc(-c3cccs3)no2)cc1C(=O)[O-] ZINC000517042054 1034113068 /nfs/dbraw/zinc/11/30/68/1034113068.db2.gz KJHPTFPAAYMFAI-SECBINFHSA-N -1 0 347.396 3.591 20 0 EHADRM CSc1ccccc1[C@@H](C)NC(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC000669774865 1034171758 /nfs/dbraw/zinc/17/17/58/1034171758.db2.gz INBHSMKRWCMTST-CJNGLKHVSA-N -1 0 343.448 3.844 20 0 EHADRM COc1ccc(CN=c2[n-]nc(C(C)C)o2)c(OC2CCCC2)c1 ZINC000450365749 1034178751 /nfs/dbraw/zinc/17/87/51/1034178751.db2.gz PTEANVAILMNBAQ-UHFFFAOYSA-N -1 0 331.416 3.557 20 0 EHADRM Cc1cc(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)cnc1F ZINC001212188729 1034221770 /nfs/dbraw/zinc/22/17/70/1034221770.db2.gz ZYHWRHXNAUFNSY-UHFFFAOYSA-N -1 0 332.356 3.673 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N(C)C2CCCC2)s1)c1ccccc1 ZINC000604155646 1034250555 /nfs/dbraw/zinc/25/05/55/1034250555.db2.gz KWQAKMZJTFXTIF-OAHLLOKOSA-N -1 0 344.484 3.908 20 0 EHADRM CN(Cc1cc(Br)cs1)C(=O)c1c([O-])cccc1F ZINC000119856082 1034255197 /nfs/dbraw/zinc/25/51/97/1034255197.db2.gz YOPAQRXEQQATRV-UHFFFAOYSA-N -1 0 344.205 3.628 20 0 EHADRM Nc1ccc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])cc1Cl ZINC001212116021 1034281383 /nfs/dbraw/zinc/28/13/83/1034281383.db2.gz RBNOPAAYGGGJOV-UHFFFAOYSA-N -1 0 333.196 3.566 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2c(C)nn(C(C)C)c2C)cc1 ZINC000604303890 1034317043 /nfs/dbraw/zinc/31/70/43/1034317043.db2.gz JEVIWHKMZLWYCH-UHFFFAOYSA-N -1 0 339.486 3.604 20 0 EHADRM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cnc(Cl)c(C)c1 ZINC000228020322 1034428144 /nfs/dbraw/zinc/42/81/44/1034428144.db2.gz JVGOZQKNRUTTNU-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CCCc1occc1C(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000450499138 1034463639 /nfs/dbraw/zinc/46/36/39/1034463639.db2.gz JZWCKXJXQDVIEN-CQSZACIVSA-N -1 0 329.396 3.595 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000604691807 1034467071 /nfs/dbraw/zinc/46/70/71/1034467071.db2.gz YCRCQXJAQOVMPA-UHFFFAOYSA-N -1 0 342.420 3.824 20 0 EHADRM Cc1cc(NC(=O)[C@H](C)OCc2ccccc2)cc(C(=O)[O-])c1C ZINC000302992408 1034483493 /nfs/dbraw/zinc/48/34/93/1034483493.db2.gz FVMOICULXRCGDX-AWEZNQCLSA-N -1 0 327.380 3.545 20 0 EHADRM O=S(=O)(CC1CCCCC1)[N-][C@H](c1ccccc1)C(F)(F)F ZINC000604762143 1034502696 /nfs/dbraw/zinc/50/26/96/1034502696.db2.gz MTSZJQVGRKRYJM-CQSZACIVSA-N -1 0 335.391 3.790 20 0 EHADRM CCOc1cccc([C@@H](C)NC(=O)N=c2nc(C(C)(C)C)[n-]s2)c1 ZINC000604800364 1034508668 /nfs/dbraw/zinc/50/86/68/1034508668.db2.gz PWGBYYLCPPPVIR-LLVKDONJSA-N -1 0 348.472 3.539 20 0 EHADRM CC[C@@H](NC(=O)N=c1nc(C(C)(C)C)[n-]s1)c1ccc(C)cc1 ZINC000604801951 1034511933 /nfs/dbraw/zinc/51/19/33/1034511933.db2.gz VVTMQYDNEMRHFE-CYBMUJFWSA-N -1 0 332.473 3.839 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)Nc1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000601986396 1034848721 /nfs/dbraw/zinc/84/87/21/1034848721.db2.gz DDOAQGKMUSZICU-UWVGGRQHSA-N -1 0 349.374 3.715 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)cc1C ZINC000511345548 1034861748 /nfs/dbraw/zinc/86/17/48/1034861748.db2.gz REJMMIUIWFXFDL-UHFFFAOYSA-N -1 0 328.393 3.759 20 0 EHADRM CCn1cc([C@H](C)N=c2[n-]nc(Cc3ccc(Cl)cc3)s2)cn1 ZINC000450868887 1034884855 /nfs/dbraw/zinc/88/48/55/1034884855.db2.gz AHQXYBHNBLPQJW-NSHDSACASA-N -1 0 347.875 3.594 20 0 EHADRM Cc1ccc(C2CCN(C(=O)c3cc(F)c([O-])c(Cl)c3)CC2)cn1 ZINC000373160445 1034912219 /nfs/dbraw/zinc/91/22/19/1034912219.db2.gz RVRPPKXMXDYDKM-UHFFFAOYSA-N -1 0 348.805 3.908 20 0 EHADRM O=S(=O)([N-]c1cnoc1-c1ccccc1)c1ccc(Cl)cc1 ZINC000511349872 1034913365 /nfs/dbraw/zinc/91/33/65/1034913365.db2.gz HRIQQQMFWGELLJ-UHFFFAOYSA-N -1 0 334.784 3.796 20 0 EHADRM CC(C)c1ccc(-c2nc(C[S@@](=O)[C@H](C)C(=O)[O-])cs2)cc1 ZINC000612429558 1034915460 /nfs/dbraw/zinc/91/54/60/1034915460.db2.gz QEEBQANDHXSRPI-RKFFSXRUSA-N -1 0 337.466 3.655 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(Cl)c3cccnc23)cc1 ZINC000391285416 1034976377 /nfs/dbraw/zinc/97/63/77/1034976377.db2.gz KEFRZIDSOCUAGG-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM CCCCc1ccc(NC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])cc1 ZINC000391503734 1035013146 /nfs/dbraw/zinc/01/31/46/1035013146.db2.gz ARPIYUBJQIAOBO-LBPRGKRZSA-N -1 0 332.322 3.556 20 0 EHADRM O=C([O-])[C@H]1c2ccoc2CCN1Cc1nc(C2CCCCC2)cs1 ZINC000530166621 1035015298 /nfs/dbraw/zinc/01/52/98/1035015298.db2.gz OPFDOQNUMZHFNE-QGZVFWFLSA-N -1 0 346.452 3.968 20 0 EHADRM CCc1c([N-]S(=O)(=O)c2sccc2F)cnn1C(CC)CC ZINC000451041377 1035040440 /nfs/dbraw/zinc/04/04/40/1035040440.db2.gz NCCYHSAXVQUEIO-UHFFFAOYSA-N -1 0 345.465 3.808 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)NC[C@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC000431660157 1035042686 /nfs/dbraw/zinc/04/26/86/1035042686.db2.gz MFTUSRXUTQVNGU-BZSNNMDCSA-N -1 0 331.456 3.509 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)NC[C@@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC000431660160 1035043893 /nfs/dbraw/zinc/04/38/93/1035043893.db2.gz MFTUSRXUTQVNGU-KZNAEPCWSA-N -1 0 331.456 3.509 20 0 EHADRM CCC[C@H](CC1CCCCC1)C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000584496703 1035186276 /nfs/dbraw/zinc/18/62/76/1035186276.db2.gz PLEQNLWEGCAVDR-CVEARBPZSA-N -1 0 348.491 3.603 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)NCc2ccc([C@H]3C[C@@H]3C)o2)s1 ZINC000612991644 1035340923 /nfs/dbraw/zinc/34/09/23/1035340923.db2.gz ICLIOWOUMCXDQS-AAEUAGOBSA-N -1 0 348.472 3.731 20 0 EHADRM CO[C@H]1CC[C@@H](C(=O)Nc2cc(Br)cc(Cl)c2[O-])C1 ZINC000613113253 1035408256 /nfs/dbraw/zinc/40/82/56/1035408256.db2.gz OJMBEMHMBRUWGN-APPZFPTMSA-N -1 0 348.624 3.562 20 0 EHADRM COc1ccc(Cl)cc1/C=C\C(=O)Nc1ccccc1CC(=O)[O-] ZINC000492231747 1035504089 /nfs/dbraw/zinc/50/40/89/1035504089.db2.gz LQUSWXLDTQYTDG-TWGQIWQCSA-N -1 0 345.782 3.628 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)Nc2ccc(-c3ccco3)cc2F)C1 ZINC000571506538 1035512186 /nfs/dbraw/zinc/51/21/86/1035512186.db2.gz HQMDOTAGQXYQJT-LBPRGKRZSA-N -1 0 346.358 3.804 20 0 EHADRM Cc1cc(C)c2nc(C3CC3)cc(C(=O)NC[C@H](C)CC(=O)[O-])c2c1 ZINC000431794908 1035521732 /nfs/dbraw/zinc/52/17/32/1035521732.db2.gz NVQOBCPTJWHKEP-GFCCVEGCSA-N -1 0 340.423 3.570 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)c1ccc(OC2CCC2)cc1Cl ZINC000534735299 1035525038 /nfs/dbraw/zinc/52/50/38/1035525038.db2.gz LBGMUZKQDDJVKP-UHFFFAOYSA-N -1 0 343.814 3.613 20 0 EHADRM CN(CCCc1ccccc1)C(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000534748577 1035561496 /nfs/dbraw/zinc/56/14/96/1035561496.db2.gz GOSHQTZESKBLTR-UHFFFAOYSA-N -1 0 346.434 3.662 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1cc(=O)[nH]c(C2CC2)c1 ZINC000186290295 1035622846 /nfs/dbraw/zinc/62/28/46/1035622846.db2.gz OIOWGXIXHCKVIQ-UHFFFAOYSA-N -1 0 339.178 3.517 20 0 EHADRM C[C@H]1C[C@@H](O)CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])C1 ZINC000457000906 1035630816 /nfs/dbraw/zinc/63/08/16/1035630816.db2.gz MMLAKUMSVKKNOP-SWLSCSKDSA-N -1 0 345.826 3.556 20 0 EHADRM COc1ccc2ccccc2c1CN=c1[n-]nc(CCC(C)C)o1 ZINC000540791590 1035682874 /nfs/dbraw/zinc/68/28/74/1035682874.db2.gz KPLZTYVVEXNDFW-UHFFFAOYSA-N -1 0 325.412 3.854 20 0 EHADRM CC(C)Cc1n[n-]c(=NCc2ccc(OCC(F)(F)F)cc2)s1 ZINC000540808006 1035700525 /nfs/dbraw/zinc/70/05/25/1035700525.db2.gz NHEQCURIOTUORC-UHFFFAOYSA-N -1 0 345.390 3.712 20 0 EHADRM Fc1ccc(CN=c2[n-]c(-c3ccccc3)no2)c(C(F)(F)F)c1 ZINC000588160707 1035731985 /nfs/dbraw/zinc/73/19/85/1035731985.db2.gz HZNAVGHSEAQFIP-UHFFFAOYSA-N -1 0 337.276 3.929 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(C)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000174036983 1035764429 /nfs/dbraw/zinc/76/44/29/1035764429.db2.gz MULQSZCAXOGVIJ-KRWDZBQOSA-N -1 0 349.434 3.671 20 0 EHADRM CCC1(C)CN(C(=O)N=c2[n-]nc(C(C)(C)c3ccccc3)s2)C1 ZINC000463735505 1035783745 /nfs/dbraw/zinc/78/37/45/1035783745.db2.gz FODIETUDNBSKJS-UHFFFAOYSA-N -1 0 344.484 3.550 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)N[C@H]1C[C@@H]1c1cccc(F)c1)C1CCCCC1 ZINC000588176685 1035802756 /nfs/dbraw/zinc/80/27/56/1035802756.db2.gz OPXGZPXQHQLTOZ-FUHIMQAGSA-N -1 0 347.430 3.859 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)Nc3ccc(C)c(Cl)c3)cc2=O)cc1 ZINC000174360626 1035912133 /nfs/dbraw/zinc/91/21/33/1035912133.db2.gz IFVAYMYGNJOSPG-UHFFFAOYSA-N -1 0 341.798 3.688 20 0 EHADRM O=C(Nc1ccc(F)c(F)c1[O-])c1ccc([C@H]2CCCOC2)cc1 ZINC000457292123 1035922797 /nfs/dbraw/zinc/92/27/97/1035922797.db2.gz LHYUQWDUXBSVHL-ZDUSSCGKSA-N -1 0 333.334 3.817 20 0 EHADRM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc2[nH]ccc21 ZINC000588632722 1035935050 /nfs/dbraw/zinc/93/50/50/1035935050.db2.gz BSFLNKOMWXQPMP-UHFFFAOYSA-N -1 0 336.800 3.631 20 0 EHADRM Cn1nccc1/C=C\C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000492520223 1035941665 /nfs/dbraw/zinc/94/16/65/1035941665.db2.gz IOFYZYLRIZMITR-IHWYPQMZSA-N -1 0 346.601 3.738 20 0 EHADRM C[C@@H]1CN(C(=O)c2cccc(Br)c2[O-])[C@@H]2CCCC[C@@H]21 ZINC000541132378 1036021210 /nfs/dbraw/zinc/02/12/10/1036021210.db2.gz PAEPKUGHBTXBHN-JTNHKYCSSA-N -1 0 338.245 3.805 20 0 EHADRM O=C([O-])Cn1cc(-c2cc(F)cc(COC3CCCCC3)c2)cn1 ZINC000521646488 1036055227 /nfs/dbraw/zinc/05/52/27/1036055227.db2.gz VCRUVCGLQBZWEB-UHFFFAOYSA-N -1 0 332.375 3.623 20 0 EHADRM O=S(=O)(/C=C/c1ccc(F)cc1)[N-]c1nc2ccccc2s1 ZINC000178178664 1036059840 /nfs/dbraw/zinc/05/98/40/1036059840.db2.gz XNHCOPZPKVOMBL-MDZDMXLPSA-N -1 0 334.397 3.848 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CN(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000572413421 1036083265 /nfs/dbraw/zinc/08/32/65/1036083265.db2.gz CTGQLARDDPNCDT-KRWDZBQOSA-N -1 0 347.386 3.607 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC(C)(C)C2)c(O)c1 ZINC000174830626 1036129253 /nfs/dbraw/zinc/12/92/53/1036129253.db2.gz NHWQSEJBTMGZOZ-UHFFFAOYSA-N -1 0 334.416 3.611 20 0 EHADRM CCCn1nccc1[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000589269367 1036334333 /nfs/dbraw/zinc/33/43/33/1036334333.db2.gz UXOGNIGMOQUCNP-UHFFFAOYSA-N -1 0 348.255 3.709 20 0 EHADRM Cc1ccc(OCCCC(=O)NCc2ccc(O)c(F)c2)cc1C ZINC000175368321 1036355049 /nfs/dbraw/zinc/35/50/49/1036355049.db2.gz DLBDUKGAOHTYPO-UHFFFAOYSA-N -1 0 331.387 3.624 20 0 EHADRM O=C(/C=C/c1cnc2ccccc2n1)Nc1cc(Cl)c([O-])cc1F ZINC000492917159 1036390509 /nfs/dbraw/zinc/39/05/09/1036390509.db2.gz BQDBZIJFKDRUBF-AATRIKPKSA-N -1 0 343.745 3.780 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(Cl)cc2Cl)C1 ZINC000232767517 1036407729 /nfs/dbraw/zinc/40/77/29/1036407729.db2.gz CQRVNQQXMXOWRY-OAHLLOKOSA-N -1 0 330.211 3.566 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCc2cc(Cl)ccc2C1 ZINC000191527986 1036409239 /nfs/dbraw/zinc/40/92/39/1036409239.db2.gz XTINZQIKPISUKI-UHFFFAOYSA-N -1 0 341.716 3.661 20 0 EHADRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(F)ccc1OC(C)C ZINC000589437297 1036414932 /nfs/dbraw/zinc/41/49/32/1036414932.db2.gz HGYFMGFEFJZNHX-UHFFFAOYSA-N -1 0 341.379 3.861 20 0 EHADRM COc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2SC)c1 ZINC000589435592 1036427514 /nfs/dbraw/zinc/42/75/14/1036427514.db2.gz FEZFHNUWLSBSCE-UHFFFAOYSA-N -1 0 343.857 3.871 20 0 EHADRM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cncc2ccccc21 ZINC000535388056 1036431472 /nfs/dbraw/zinc/43/14/72/1036431472.db2.gz AQAVZBZXEBMOQY-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM O=S(=O)([N-]c1nc(C2CCC2)cs1)c1cc2ccccc2o1 ZINC000572825264 1036509654 /nfs/dbraw/zinc/50/96/54/1036509654.db2.gz LJWWFQURYUHWLP-UHFFFAOYSA-N -1 0 334.422 3.958 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)[C@H](C)C3(C)CC3)n2)c1 ZINC000176331063 1036601734 /nfs/dbraw/zinc/60/17/34/1036601734.db2.gz NYMXVUVFTTVGBB-CQSZACIVSA-N -1 0 341.455 3.962 20 0 EHADRM Cc1cc(C)c(CC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)c(C)c1 ZINC000263182182 1036603620 /nfs/dbraw/zinc/60/36/20/1036603620.db2.gz KKIPPSURCCCYIO-UHFFFAOYSA-N -1 0 329.371 3.559 20 0 EHADRM CCc1ccc2occ(C(=O)N(C)Cc3cc(C(=O)[O-])c(C)o3)c2c1 ZINC000263170641 1036603911 /nfs/dbraw/zinc/60/39/11/1036603911.db2.gz QAPUTWNTMKICFB-UHFFFAOYSA-N -1 0 341.363 3.867 20 0 EHADRM CC(C)(C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1)c1cccs1 ZINC000263199462 1036624924 /nfs/dbraw/zinc/62/49/24/1036624924.db2.gz UUWNLESBOUJVSX-OAHLLOKOSA-N -1 0 345.464 3.618 20 0 EHADRM CCC[C@@H](CNC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000263199391 1036625888 /nfs/dbraw/zinc/62/58/88/1036625888.db2.gz NLQXZYBDTJMOMC-KOLCDFICSA-N -1 0 332.227 3.714 20 0 EHADRM COc1ccccc1-c1ccc(CN=c2[n-]nc(C(F)(F)F)o2)cc1 ZINC000472584863 1036644258 /nfs/dbraw/zinc/64/42/58/1036644258.db2.gz JIQQOFRPPPCTOP-UHFFFAOYSA-N -1 0 349.312 3.798 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)C2(c3ccccc3)CCC2)cc1F ZINC000263225351 1036655877 /nfs/dbraw/zinc/65/58/77/1036655877.db2.gz PYHXSXXXCIBVAO-UHFFFAOYSA-N -1 0 327.355 3.513 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)CSc2ccc(Cl)cc2)s[n-]1 ZINC000589938362 1036666836 /nfs/dbraw/zinc/66/68/36/1036666836.db2.gz TYUKJBHOYMDRCY-UHFFFAOYSA-N -1 0 341.889 3.642 20 0 EHADRM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000263362401 1036819895 /nfs/dbraw/zinc/81/98/95/1036819895.db2.gz YTYFHOSGZUBCJX-QGTPRVQTSA-N -1 0 329.440 3.877 20 0 EHADRM Cc1nc(-c2ccc(C)cc2)c(CC(=O)[N-]O[C@@H]2CCCCO2)s1 ZINC000162279268 1036835697 /nfs/dbraw/zinc/83/56/97/1036835697.db2.gz BBDXIKSRNBXICT-QGZVFWFLSA-N -1 0 346.452 3.544 20 0 EHADRM COc1ccccc1CC(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1 ZINC000263446145 1036927517 /nfs/dbraw/zinc/92/75/17/1036927517.db2.gz YSSDKMJWFCLULR-QGZVFWFLSA-N -1 0 347.455 3.558 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2ccc(OC3CCCC3)cc2)CC=CCC1 ZINC000653281722 1036930685 /nfs/dbraw/zinc/93/06/85/1036930685.db2.gz XEYSZBIXVMDRCR-LJQANCHMSA-N -1 0 329.396 3.758 20 0 EHADRM Cc1ccc(CCCC(=O)N[C@@H](CC(=O)[O-])C2CCCCC2)s1 ZINC000539614891 1036980342 /nfs/dbraw/zinc/98/03/42/1036980342.db2.gz BIMIGXJSGMXYOX-INIZCTEOSA-N -1 0 337.485 3.919 20 0 EHADRM CC(C)c1ccc(C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000263492632 1036982020 /nfs/dbraw/zinc/98/20/20/1036982020.db2.gz XEZWZLLATIRKMW-SFHVURJKSA-N -1 0 325.408 3.578 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2cccc(C)c2Cl)nc1 ZINC000343832772 1036995664 /nfs/dbraw/zinc/99/56/64/1036995664.db2.gz FGHUXVDPKFPPAN-UHFFFAOYSA-N -1 0 328.846 3.566 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)Nc1ccc(OC(F)F)cc1 ZINC000539676246 1037054893 /nfs/dbraw/zinc/05/48/93/1037054893.db2.gz GBCJCCQBDUIWTR-UHFFFAOYSA-N -1 0 335.306 3.558 20 0 EHADRM Cc1ccc(S[C@@H](C)C(=O)NCCc2cccc(C(=O)[O-])c2)cc1 ZINC000539675751 1037054944 /nfs/dbraw/zinc/05/49/44/1037054944.db2.gz ZNADUDCSHLTAKA-AWEZNQCLSA-N -1 0 343.448 3.533 20 0 EHADRM CCCCc1n[n-]c(=NCc2c[nH]nc2-c2cccc(C)c2)s1 ZINC000539708739 1037096636 /nfs/dbraw/zinc/09/66/36/1037096636.db2.gz LIBJBGPDKYLSII-UHFFFAOYSA-N -1 0 327.457 3.613 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N2Cc3ccccc3[C@H]2C)s1 ZINC000542133239 1037109777 /nfs/dbraw/zinc/10/97/77/1037109777.db2.gz QOBWNBDAHHKUOL-GFCCVEGCSA-N -1 0 330.457 3.801 20 0 EHADRM CCC[C@H](C(=O)[O-])[S@@](=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000590900695 1037130208 /nfs/dbraw/zinc/13/02/08/1037130208.db2.gz CSOLWMNZTSTQQT-SBKAZYGRSA-N -1 0 328.739 3.720 20 0 EHADRM O=C(NOCc1ccccc1)Nc1nnc(-c2ccsc2)s1 ZINC000057787892 1037150849 /nfs/dbraw/zinc/15/08/49/1037150849.db2.gz NXGGXTIUMHLSFS-UHFFFAOYSA-N -1 0 332.410 3.520 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cccc(Nc3ccccc3)c2)C[C@@H]1C(=O)[O-] ZINC000573001731 1037153789 /nfs/dbraw/zinc/15/37/89/1037153789.db2.gz WVWNMUMNLJXWEK-KDOFPFPSSA-N -1 0 338.407 3.613 20 0 EHADRM C/C(=C/c1ccccc1Cl)C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000761577818 1037166775 /nfs/dbraw/zinc/16/67/75/1037166775.db2.gz RKISXZGEUPWQBU-KAMYIIQDSA-N -1 0 343.810 3.857 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)c1cc(-c2ccc(F)cc2)c(C)s1 ZINC000089285886 1037187353 /nfs/dbraw/zinc/18/73/53/1037187353.db2.gz VIYFXDBAUSNYLC-UHFFFAOYSA-N -1 0 339.413 3.683 20 0 EHADRM O=C([O-])CCCCNC(=O)N[C@H](CC1CCCC1)c1ccccc1 ZINC000666538410 1037191745 /nfs/dbraw/zinc/19/17/45/1037191745.db2.gz BVAWSFNCRYTIMF-QGZVFWFLSA-N -1 0 332.444 3.862 20 0 EHADRM Cc1ccc(CN(C(=O)NCc2cccc(C(=O)[O-])c2)C(C)C)s1 ZINC000666566476 1037213483 /nfs/dbraw/zinc/21/34/83/1037213483.db2.gz PQABLRUETMTSOU-UHFFFAOYSA-N -1 0 346.452 3.875 20 0 EHADRM O=C([O-])CCCCNC(=O)NC[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000666550766 1037216335 /nfs/dbraw/zinc/21/63/35/1037216335.db2.gz LDLCMLLMZZPFCA-IAGOWNOFSA-N -1 0 332.444 3.515 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2ccc(F)c3ccccc23)C1 ZINC000327635889 1037247224 /nfs/dbraw/zinc/24/72/24/1037247224.db2.gz QZIUOPKNIACLNN-ZDUSSCGKSA-N -1 0 343.398 3.942 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)C2[C@@H]3CCCCCC[C@@H]23)c1 ZINC000659126754 1037314218 /nfs/dbraw/zinc/31/42/18/1037314218.db2.gz ONQXEJCFYGQWMQ-ZACQAIPSSA-N -1 0 345.439 3.544 20 0 EHADRM COc1cc(OC)c(NC(=O)c2cc(F)c([O-])c(F)c2)cc1Cl ZINC000176993166 1037317421 /nfs/dbraw/zinc/31/74/21/1037317421.db2.gz BTSHSJALKYGYFD-UHFFFAOYSA-N -1 0 343.713 3.593 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N2CC[C@@H](c3ccc(C)cc3)C2)s1 ZINC000542357763 1037318946 /nfs/dbraw/zinc/31/89/46/1037318946.db2.gz SUYVUKRDGSOREZ-OAHLLOKOSA-N -1 0 344.484 3.632 20 0 EHADRM CCN(C(=O)c1cccc(Br)c1[O-])c1nc(C)cs1 ZINC000539886424 1037324583 /nfs/dbraw/zinc/32/45/83/1037324583.db2.gz URSDHORPTPLZKX-UHFFFAOYSA-N -1 0 341.230 3.586 20 0 EHADRM C[C@H](CC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)[C@@H]1CCCO1 ZINC000659129744 1037332355 /nfs/dbraw/zinc/33/23/55/1037332355.db2.gz ACGFJYSFSPTZAI-MFKMUULPSA-N -1 0 333.409 3.743 20 0 EHADRM CC(C)(CC(F)(F)F)C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000659136756 1037347873 /nfs/dbraw/zinc/34/78/73/1037347873.db2.gz ATJOKPCZBZVFIB-UHFFFAOYSA-N -1 0 347.333 3.847 20 0 EHADRM CN(CC(C)(C)C)C(=O)Nc1cc(Br)ccc1C(=O)[O-] ZINC000045090494 1037364445 /nfs/dbraw/zinc/36/44/45/1037364445.db2.gz JDQYIFMJIGQPSO-UHFFFAOYSA-N -1 0 343.221 3.657 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)C1(C(=O)[O-])CC2(CCC2)C1)C(F)(F)F ZINC000659153180 1037386368 /nfs/dbraw/zinc/38/63/68/1037386368.db2.gz ILVPCVPNMRTSIX-SNVBAGLBSA-N -1 0 335.366 3.505 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2coc3c2cccc3C)n1 ZINC000659182096 1037429959 /nfs/dbraw/zinc/42/99/59/1037429959.db2.gz GYSNRLBEJWSQRK-AWEZNQCLSA-N -1 0 341.367 3.616 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000659183867 1037438646 /nfs/dbraw/zinc/43/86/46/1037438646.db2.gz ZLBSXNIPPFLLJC-FZMZJTMJSA-N -1 0 349.818 3.705 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)[C@H](c2ccccc2)C(C)C)n1 ZINC000659189374 1037443901 /nfs/dbraw/zinc/44/39/01/1037443901.db2.gz YWAIDBONCYYYGP-RDJZCZTQSA-N -1 0 343.427 3.687 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)[N-]S(=O)(=O)C3CCCCC3)cc2C1 ZINC000058073488 1037451347 /nfs/dbraw/zinc/45/13/47/1037451347.db2.gz NIUHFMCGFRTWNB-LLVKDONJSA-N -1 0 341.498 3.840 20 0 EHADRM CSc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)cc1 ZINC000659196995 1037453738 /nfs/dbraw/zinc/45/37/38/1037453738.db2.gz ZBCCNDISDCQTOT-JYJNAYRXSA-N -1 0 333.453 3.514 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)cc1Cl ZINC000659196408 1037457279 /nfs/dbraw/zinc/45/72/79/1037457279.db2.gz VGFWLGKQHPCUCA-DZKIICNBSA-N -1 0 335.831 3.754 20 0 EHADRM Fc1cccc(F)c1[C@H]1C[C@@H]1N=c1nc(-c2ccccc2)[n-]s1 ZINC000462847708 1037462645 /nfs/dbraw/zinc/46/26/45/1037462645.db2.gz GXVIHJRDBWYNPQ-FZMZJTMJSA-N -1 0 329.375 3.873 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc(Cl)ccc2F)[C@H]2CCCC[C@@H]12 ZINC000659195845 1037466060 /nfs/dbraw/zinc/46/60/60/1037466060.db2.gz RGANADHOXCSCSC-ZOWXZIJZSA-N -1 0 339.794 3.585 20 0 EHADRM COC[C@H](C)Oc1cccc(-c2ccccc2OCCC(=O)[O-])c1 ZINC000573386687 1037502764 /nfs/dbraw/zinc/50/27/64/1037502764.db2.gz LGAHWWWWOCEBIL-AWEZNQCLSA-N -1 0 330.380 3.621 20 0 EHADRM CC(C)Oc1ccc(Cl)cc1C(=O)N[C@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000659234571 1037549486 /nfs/dbraw/zinc/54/94/86/1037549486.db2.gz HITGDZCURFFCOG-WMLDXEAASA-N -1 0 339.819 3.500 20 0 EHADRM Cc1ccc(N=c2[n-]nc(Sc3ccnc(C)n3)s2)cc1Cl ZINC000462923670 1037551005 /nfs/dbraw/zinc/55/10/05/1037551005.db2.gz LJPHJBTVNBOFHG-UHFFFAOYSA-N -1 0 349.872 3.915 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)CCCc1csc2ccccc12 ZINC000659239028 1037556404 /nfs/dbraw/zinc/55/64/04/1037556404.db2.gz QPDLVGUCVXCGQW-APWZRJJASA-N -1 0 345.464 3.984 20 0 EHADRM COc1cccc(S(=O)(=O)[N-]C(=O)CCc2ccc(C)cc2C)c1 ZINC000058185867 1037573763 /nfs/dbraw/zinc/57/37/63/1037573763.db2.gz DTGFUTNQIGYBCD-UHFFFAOYSA-N -1 0 347.436 3.590 20 0 EHADRM CCO[C@@H]1C[C@@H](N=c2nc(-c3ccccc3)[n-]s2)C12CCCC2 ZINC000463021330 1037666621 /nfs/dbraw/zinc/66/66/21/1037666621.db2.gz AMXNEQALUJOOEQ-HUUCEWRRSA-N -1 0 329.469 3.777 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2C)o1 ZINC000540215927 1037698062 /nfs/dbraw/zinc/69/80/62/1037698062.db2.gz DXMILIVUKWHZSC-UHFFFAOYSA-N -1 0 349.330 3.638 20 0 EHADRM Cc1cc2ccccc2n1CC(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000669434803 1037845536 /nfs/dbraw/zinc/84/55/36/1037845536.db2.gz YUGROMOPMNKVFR-QGZVFWFLSA-N -1 0 348.402 3.555 20 0 EHADRM C[C@@H](NC(=O)c1cc(Br)cc(Cl)c1[O-])c1ccc[nH]1 ZINC000760956713 1037886977 /nfs/dbraw/zinc/88/69/77/1037886977.db2.gz CPWRCDOIXXVZRJ-SSDOTTSWSA-N -1 0 343.608 3.627 20 0 EHADRM C[C@H](NC(=O)c1cc(Cl)cc(Br)c1[O-])c1ccc[nH]1 ZINC000760958756 1037889361 /nfs/dbraw/zinc/88/93/61/1037889361.db2.gz MRQBGRPBCSLRRY-ZETCQYMHSA-N -1 0 343.608 3.627 20 0 EHADRM CCCc1csc(CN=c2[n-]nc(CCCc3ccccc3)o2)n1 ZINC000492060085 1037925040 /nfs/dbraw/zinc/92/50/40/1037925040.db2.gz IKTUGSYUXXECHJ-UHFFFAOYSA-N -1 0 342.468 3.688 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)c1 ZINC000303973239 1037925767 /nfs/dbraw/zinc/92/57/67/1037925767.db2.gz UNLGBHUBBCFQIX-UHFFFAOYSA-N -1 0 349.305 3.675 20 0 EHADRM Cn1nccc1/C=C/C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000182977361 1037926223 /nfs/dbraw/zinc/92/62/23/1037926223.db2.gz IOFYZYLRIZMITR-NSCUHMNNSA-N -1 0 346.601 3.738 20 0 EHADRM CCOc1ccc(N=c2[n-]nc(C(F)(F)F)s2)cc1OCC ZINC000651290533 1037927161 /nfs/dbraw/zinc/92/71/61/1037927161.db2.gz XVBXVSPNKYLNPA-UHFFFAOYSA-N -1 0 333.335 3.520 20 0 EHADRM COc1cc(C)cc(-c2noc(C(=O)[N-]c3c(F)cccc3F)n2)c1 ZINC001212171330 1037949377 /nfs/dbraw/zinc/94/93/77/1037949377.db2.gz UIGYMEABIQHDQT-UHFFFAOYSA-N -1 0 345.305 3.584 20 0 EHADRM Cc1ccc(-c2n[n-]c(=NCc3nc4c(s3)C[C@H](C)CC4)o2)s1 ZINC000463252690 1037954822 /nfs/dbraw/zinc/95/48/22/1037954822.db2.gz SGZBVHJLNGIXQM-SECBINFHSA-N -1 0 346.481 3.722 20 0 EHADRM CN(C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1)C1CCCC1 ZINC000669448734 1037981030 /nfs/dbraw/zinc/98/10/30/1037981030.db2.gz NLWLLDMBGVTGKB-UHFFFAOYSA-N -1 0 330.428 3.559 20 0 EHADRM Cc1oc(CN(C)C(=O)/C=C\c2cc3ccccc3o2)cc1C(=O)[O-] ZINC000492139373 1038027185 /nfs/dbraw/zinc/02/71/85/1038027185.db2.gz NRUXZLWVZABWDQ-FPLPWBNLSA-N -1 0 339.347 3.704 20 0 EHADRM COc1ccc(/C=C/C(=O)Nc2cccc(CC(=O)[O-])c2)cc1Cl ZINC000492199040 1038093133 /nfs/dbraw/zinc/09/31/33/1038093133.db2.gz QISHGGOEMLVDAJ-SOFGYWHQSA-N -1 0 345.782 3.628 20 0 EHADRM CCCN(C(=O)N=c1[n-]nc([C@H](CC)c2ccccc2)s1)C1CC1 ZINC000540557737 1038095983 /nfs/dbraw/zinc/09/59/83/1038095983.db2.gz QHZDSPRBXALIEM-OAHLLOKOSA-N -1 0 344.484 3.908 20 0 EHADRM CCc1ccccc1S(=O)(=O)Nc1cncc(Cl)c1Cl ZINC000188155153 1038132271 /nfs/dbraw/zinc/13/22/71/1038132271.db2.gz JGDLLZIGIBCCEC-UHFFFAOYSA-N -1 0 331.224 3.752 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CCc2ccccc2CC1 ZINC000520426855 1038137631 /nfs/dbraw/zinc/13/76/31/1038137631.db2.gz SXHNYAQSHCKCNP-UHFFFAOYSA-N -1 0 335.325 3.652 20 0 EHADRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCC2(CC2)C1 ZINC000659146631 1038228038 /nfs/dbraw/zinc/22/80/38/1038228038.db2.gz ODBMHZUPEGMXFY-IRXDYDNUSA-N -1 0 329.440 3.549 20 0 EHADRM Cc1nc2cc([N-]S(=O)(=O)c3c(F)cccc3Cl)ccc2o1 ZINC000125358133 1038316150 /nfs/dbraw/zinc/31/61/50/1038316150.db2.gz XSYQTAZXOQSCRJ-UHFFFAOYSA-N -1 0 340.763 3.730 20 0 EHADRM Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)c1 ZINC000461332600 1038347319 /nfs/dbraw/zinc/34/73/19/1038347319.db2.gz LBTOQAJKGRUCJV-UHFFFAOYSA-N -1 0 337.344 3.582 20 0 EHADRM Fc1ccc(CN=c2[n-]nc(Cc3cccc4ccccc43)o2)cc1 ZINC000538507352 1038347462 /nfs/dbraw/zinc/34/74/62/1038347462.db2.gz YPISNNAWPFWYQF-UHFFFAOYSA-N -1 0 333.366 3.987 20 0 EHADRM Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000461337153 1038352040 /nfs/dbraw/zinc/35/20/40/1038352040.db2.gz ZPGMWKYHTLGKAC-UHFFFAOYSA-N -1 0 337.344 3.582 20 0 EHADRM CC(C)c1ccc(OCC(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000236674713 1038364065 /nfs/dbraw/zinc/36/40/65/1038364065.db2.gz NGMONHHXQMVYRZ-LFYBBSHMSA-N -1 0 339.391 3.925 20 0 EHADRM C[C@@H](CC(=O)NCC1(CC(=O)[O-])CCCCC1)Cc1cccc(F)c1 ZINC000538577223 1038400087 /nfs/dbraw/zinc/40/00/87/1038400087.db2.gz OBOQLWXJOWVIBG-OAHLLOKOSA-N -1 0 349.446 3.936 20 0 EHADRM CC(C)c1ccc(CCC(=O)NCCc2cccc(C(=O)[O-])c2)cc1 ZINC000538578568 1038401951 /nfs/dbraw/zinc/40/19/51/1038401951.db2.gz MMMZTYHKOZUOKM-UHFFFAOYSA-N -1 0 339.435 3.800 20 0 EHADRM CC(C)(C)Cc1n[n-]c(=NCc2ccc(F)cc2Br)o1 ZINC000538593868 1038407676 /nfs/dbraw/zinc/40/76/76/1038407676.db2.gz LQBGNRDMEVDJKP-UHFFFAOYSA-N -1 0 342.212 3.594 20 0 EHADRM CCCc1nc(=NCc2ccc(OC)cc2C(F)(F)F)s[n-]1 ZINC000461770127 1038601631 /nfs/dbraw/zinc/60/16/31/1038601631.db2.gz VNHCNFOEQUBOGH-UHFFFAOYSA-N -1 0 331.363 3.552 20 0 EHADRM CC[C@@H](C)c1n[n-]c(=Nc2cccc(OC)c2)n1C[C@H]1CCCCO1 ZINC000461804824 1038616065 /nfs/dbraw/zinc/61/60/65/1038616065.db2.gz DJTVFJNQDCYMDY-RHSMWYFYSA-N -1 0 344.459 3.535 20 0 EHADRM CCCOc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C)o1 ZINC000539113154 1038691979 /nfs/dbraw/zinc/69/19/79/1038691979.db2.gz OQYAPXKDTHKMEL-UHFFFAOYSA-N -1 0 329.805 3.831 20 0 EHADRM CCCCCCNC(=O)C(C#N)=C([O-])c1sc(C(C)(C)C)nc1C ZINC000146970213 1038696324 /nfs/dbraw/zinc/69/63/24/1038696324.db2.gz KLQVJAGPNBKCBJ-ZDUSSCGKSA-N -1 0 349.500 3.768 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)c1ccoc1CC(=O)[O-] ZINC000910250374 1038788894 /nfs/dbraw/zinc/78/88/94/1038788894.db2.gz IFONJTXAUPXPST-INIZCTEOSA-N -1 0 343.423 3.699 20 0 EHADRM Cc1ccc([C@H](NCc2cc(C(F)(F)F)co2)C(=O)[O-])cc1C ZINC000905380744 1038839694 /nfs/dbraw/zinc/83/96/94/1038839694.db2.gz NWWNMEPALFHBSA-AWEZNQCLSA-N -1 0 327.302 3.831 20 0 EHADRM Cc1cc([C@@H](NCc2noc3c2CC(C)(C)CC3)C(=O)[O-])ccc1F ZINC000905385900 1038842418 /nfs/dbraw/zinc/84/24/18/1038842418.db2.gz YMZVKQPYYGBQAG-QGZVFWFLSA-N -1 0 346.402 3.553 20 0 EHADRM Cc1nc(N[C@@H](C[C@H]2CCOC2)c2ccccc2)ccc1C(=O)[O-] ZINC000910371373 1038869826 /nfs/dbraw/zinc/86/98/26/1038869826.db2.gz YFDSRQXRRHVORP-PBHICJAKSA-N -1 0 326.396 3.668 20 0 EHADRM CC[C@@H](C)CS(=O)(=O)[N-][C@@H](CCc1ccccc1)C(F)(F)F ZINC000479892921 1038870377 /nfs/dbraw/zinc/87/03/77/1038870377.db2.gz OUHKFGHHCULOOV-OCCSQVGLSA-N -1 0 337.407 3.516 20 0 EHADRM O=S(=O)(CC1CCCC1)[N-][C@@H](CCc1ccccc1)C(F)(F)F ZINC000479892958 1038871921 /nfs/dbraw/zinc/87/19/21/1038871921.db2.gz OYATUQFODFGLBO-HNNXBMFYSA-N -1 0 349.418 3.660 20 0 EHADRM Cc1nc(C2CCN(C(=O)[C@@H](C)CC(C)C)CC2)sc1C(=O)[O-] ZINC000910353794 1038876514 /nfs/dbraw/zinc/87/65/14/1038876514.db2.gz HVFKGEKEDQRWHT-NSHDSACASA-N -1 0 338.473 3.538 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)C1(C)C ZINC000910410938 1038898206 /nfs/dbraw/zinc/89/82/06/1038898206.db2.gz BJLYDXYCTWUFKC-AAEUAGOBSA-N -1 0 339.382 3.560 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CC[C@H](c2ccc(F)c(F)c2)C1(C)C ZINC000910410939 1038900024 /nfs/dbraw/zinc/90/00/24/1038900024.db2.gz BJLYDXYCTWUFKC-DGCLKSJQSA-N -1 0 339.382 3.560 20 0 EHADRM CC(C)c1cc(N(CCC(=O)[O-])Cc2cccnc2)nc(C(C)C)n1 ZINC000910414981 1038901564 /nfs/dbraw/zinc/90/15/64/1038901564.db2.gz TVTILIKEWUMVOZ-UHFFFAOYSA-N -1 0 342.443 3.600 20 0 EHADRM O=C([O-])/C=C/c1cnc(/C=C/c2cncc(Br)c2)s1 ZINC000184757437 1038911260 /nfs/dbraw/zinc/91/12/60/1038911260.db2.gz JXASZXCCHDLTRO-ZPUQHVIOSA-N -1 0 337.198 3.569 20 0 EHADRM Cc1ccsc1CCCC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000910473092 1038930079 /nfs/dbraw/zinc/93/00/79/1038930079.db2.gz FQSUIFFTRDCWJR-JKSUJKDBSA-N -1 0 343.448 3.809 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000910519910 1038942686 /nfs/dbraw/zinc/94/26/86/1038942686.db2.gz OLTYLONNUXFIIE-KXBFYZLASA-N -1 0 335.403 3.778 20 0 EHADRM C[C@]1(c2ccccc2)CCCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000910507700 1038952232 /nfs/dbraw/zinc/95/22/32/1038952232.db2.gz ZMIMWXJLQKJYEP-OAQYLSRUSA-N -1 0 337.419 3.855 20 0 EHADRM Cc1c(C(=O)[O-])sc2ncnc(N3CC[C@H](c4ccccc4)C3)c12 ZINC000021715893 1038955560 /nfs/dbraw/zinc/95/55/60/1038955560.db2.gz SHWBJAOASLKDAQ-ZDUSSCGKSA-N -1 0 339.420 3.692 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1[nH]c2ccccc2c1Cl)C1CCCC1 ZINC000910567727 1038968477 /nfs/dbraw/zinc/96/84/77/1038968477.db2.gz MEAJOOQHUMVRSX-ZDUSSCGKSA-N -1 0 334.803 3.585 20 0 EHADRM Cc1cnc([C@@H](C)Sc2n[n-]c(=Nc3ccccc3)s2)cn1 ZINC000488233247 1038982278 /nfs/dbraw/zinc/98/22/78/1038982278.db2.gz PCQFRISQELVBAF-LLVKDONJSA-N -1 0 329.454 3.655 20 0 EHADRM CCN(Cc1occc1C)C(=O)N=c1[n-]nc(-c2ccsc2)s1 ZINC000416759579 1038996101 /nfs/dbraw/zinc/99/61/01/1038996101.db2.gz GBLSOBNJRJKUFE-UHFFFAOYSA-N -1 0 348.453 3.644 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)c1C1CC1 ZINC000910647985 1039002802 /nfs/dbraw/zinc/00/28/02/1039002802.db2.gz BCOLXLRTGUZYKG-DJYGCBNOSA-N -1 0 343.383 3.675 20 0 EHADRM Cc1cc(NC(=O)c2ccc(C(=O)[O-])s2)nn1C1CCCCC1 ZINC000910659861 1039006758 /nfs/dbraw/zinc/00/67/58/1039006758.db2.gz DPEOYCKWNIPSEA-UHFFFAOYSA-N -1 0 333.413 3.709 20 0 EHADRM COc1ccc(CNc2cc(C(=O)[O-])ccc2OC(C)C)cc1F ZINC000485401438 1039012228 /nfs/dbraw/zinc/01/22/28/1039012228.db2.gz UKIJXJPRINGPDN-UHFFFAOYSA-N -1 0 333.359 3.932 20 0 EHADRM COc1ncc(C)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000485401456 1039012382 /nfs/dbraw/zinc/01/23/82/1039012382.db2.gz UOLLKKBWRXQXLB-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM Cc1cn(C2CCCCC2)nc1NC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000910647629 1039014847 /nfs/dbraw/zinc/01/48/47/1039014847.db2.gz HNYMLVJYTHELBU-FPLPWBNLSA-N -1 0 343.383 3.640 20 0 EHADRM COc1cccc([C@H](C)C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)c1 ZINC000910699346 1039024472 /nfs/dbraw/zinc/02/44/72/1039024472.db2.gz OOSRYOFZUGGROB-JTQLQIEISA-N -1 0 348.424 3.716 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)[C@H]2CCCC[C@H]2C)nc1C(=O)[O-] ZINC000910722916 1039031912 /nfs/dbraw/zinc/03/19/12/1039031912.db2.gz VFKCXIXFKPCLJG-WXHSDQCUSA-N -1 0 336.457 3.640 20 0 EHADRM CCc1csc([C@@H](C)NC(=O)c2ccc3[n-]c(=S)oc3c2)n1 ZINC000910727273 1039035584 /nfs/dbraw/zinc/03/55/84/1039035584.db2.gz NNIWHXIJYPDILD-MRVPVSSYSA-N -1 0 333.438 3.626 20 0 EHADRM O=C([O-])c1nc(NC(=O)[C@H]2CCc3cc(F)ccc32)sc1C1CC1 ZINC000910741692 1039050880 /nfs/dbraw/zinc/05/08/80/1039050880.db2.gz JSZFUYODBFIATN-LBPRGKRZSA-N -1 0 346.383 3.526 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)[C@H](C)C2CCCC2)nc1C(=O)[O-] ZINC000910717973 1039055528 /nfs/dbraw/zinc/05/55/28/1039055528.db2.gz JSYGYYPJELOUAP-MFKMUULPSA-N -1 0 336.457 3.640 20 0 EHADRM C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000500618089 1039074718 /nfs/dbraw/zinc/07/47/18/1039074718.db2.gz OIGMRHSLLJUYDF-VIFPVBQESA-N -1 0 337.734 3.583 20 0 EHADRM CC(C)(CCC(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000910789977 1039076320 /nfs/dbraw/zinc/07/63/20/1039076320.db2.gz HHPUFFSQEUVCHG-UHFFFAOYSA-N -1 0 328.368 3.703 20 0 EHADRM C[C@@H](CCCC(F)(F)F)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC000905752435 1039088958 /nfs/dbraw/zinc/08/89/58/1039088958.db2.gz QALYGZZZFDGANE-JTQLQIEISA-N -1 0 329.322 3.654 20 0 EHADRM CN(C)c1ccc(S(=O)(=O)Nc2ccc(-c3ccc[nH]3)cc2)cc1 ZINC000432776483 1039124543 /nfs/dbraw/zinc/12/45/43/1039124543.db2.gz OLWZMWGAIMSWKQ-UHFFFAOYSA-N -1 0 341.436 3.549 20 0 EHADRM CCN(C(=O)C[C@H](C)c1c(C)noc1C)c1cccc(C(=O)[O-])c1 ZINC000910966026 1039163385 /nfs/dbraw/zinc/16/33/85/1039163385.db2.gz BJPPZXUNVLGPSN-NSHDSACASA-N -1 0 330.384 3.536 20 0 EHADRM CSc1ccc(NC(=O)C2([C@@H]3CCCCO3)CCC2)cc1C(=O)[O-] ZINC000910943437 1039167365 /nfs/dbraw/zinc/16/73/65/1039167365.db2.gz CLMWYWVATRYSAS-HNNXBMFYSA-N -1 0 349.452 3.785 20 0 EHADRM CCC[C@H](C(=O)N(CC)c1cccc(C(=O)[O-])c1)c1ccccn1 ZINC000910969654 1039171374 /nfs/dbraw/zinc/17/13/74/1039171374.db2.gz IWQGBIWYHBCIPM-INIZCTEOSA-N -1 0 326.396 3.717 20 0 EHADRM CCN(C(=O)C[C@H]1CCO[C@H](C(C)C)C1)c1cccc(C(=O)[O-])c1 ZINC000910968000 1039172472 /nfs/dbraw/zinc/17/24/72/1039172472.db2.gz LVKXZUBTIUAMJI-YOEHRIQHSA-N -1 0 333.428 3.579 20 0 EHADRM CCN(C(=O)CCc1cccc(OC)c1F)c1cccc(C(=O)[O-])c1 ZINC000910968761 1039172512 /nfs/dbraw/zinc/17/25/12/1039172512.db2.gz XUWKQJLHCIPWTQ-UHFFFAOYSA-N -1 0 345.370 3.518 20 0 EHADRM CCCC[C@H](CC)CC(=O)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC000911036413 1039210071 /nfs/dbraw/zinc/21/00/71/1039210071.db2.gz YHIUGDSPABPNBK-STQMWFEESA-N -1 0 338.473 3.764 20 0 EHADRM CCNc1ccc(C(=O)[O-])cc1NC(=O)C1CCC(F)(F)CC1 ZINC000911081708 1039214836 /nfs/dbraw/zinc/21/48/36/1039214836.db2.gz CCXUHTVMHUROSZ-UHFFFAOYSA-N -1 0 326.343 3.581 20 0 EHADRM COc1ccc([C@@H](NC(=O)c2cc(C(=O)[O-])oc2C)C2CCC2)cc1 ZINC000911061512 1039218781 /nfs/dbraw/zinc/21/87/81/1039218781.db2.gz IHQHVBVBGITZBM-KRWDZBQOSA-N -1 0 343.379 3.566 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000236687567 1039239417 /nfs/dbraw/zinc/23/94/17/1039239417.db2.gz DPLAMLSPWUCWLL-SJYPEPLSSA-N -1 0 325.339 3.966 20 0 EHADRM Cn1[n-]c(C(=O)N2CCCCC[C@@H]2c2ccc(Cl)cc2)cc1=O ZINC000668862151 1039283776 /nfs/dbraw/zinc/28/37/76/1039283776.db2.gz SCHYBPNCHDBQGM-OAHLLOKOSA-N -1 0 333.819 3.537 20 0 EHADRM CCC[C@@](C)(NC(=O)/C=C(/C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000236969237 1039284370 /nfs/dbraw/zinc/28/43/70/1039284370.db2.gz XONNTUCFOJFAAU-BLIJAFNYSA-N -1 0 343.345 3.868 20 0 EHADRM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000554407736 1039313431 /nfs/dbraw/zinc/31/34/31/1039313431.db2.gz UUBBNWFOXHZKLF-VXGBXAGGSA-N -1 0 348.472 3.899 20 0 EHADRM COCc1ccccc1NC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1 ZINC000237179693 1039317498 /nfs/dbraw/zinc/31/74/98/1039317498.db2.gz YUPZSKLLPGUECE-IBGZPJMESA-N -1 0 333.428 3.833 20 0 EHADRM Cc1c2ccccc2nc(N2CCC3(CCCCO3)CC2)c1C(=O)[O-] ZINC000906153734 1039345656 /nfs/dbraw/zinc/34/56/56/1039345656.db2.gz URXICIQQJDRRAJ-UHFFFAOYSA-N -1 0 340.423 3.781 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)CCCc1cccs1 ZINC000237645792 1039405727 /nfs/dbraw/zinc/40/57/27/1039405727.db2.gz KAVASXXDJIROAL-INIZCTEOSA-N -1 0 331.437 3.711 20 0 EHADRM Cc1cc(C(=O)N(CCC(=O)[O-])C2CC2)sc1-c1ccc(F)cc1 ZINC000237671215 1039406541 /nfs/dbraw/zinc/40/65/41/1039406541.db2.gz XUPRTDMJJIETMT-UHFFFAOYSA-N -1 0 347.411 3.942 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)Nc1ccccc1N[C@@H](C)c1ccccc1 ZINC000911558987 1039411289 /nfs/dbraw/zinc/41/12/89/1039411289.db2.gz TZJJTXACWJJQTD-KGLIPLIRSA-N -1 0 326.396 3.909 20 0 EHADRM CC[C@H](C)[C@@H]([N-]S(=O)(=O)Cc1ccc(C)cc1F)C(F)(F)F ZINC000480341627 1039456763 /nfs/dbraw/zinc/45/67/63/1039456763.db2.gz KBQOSGDVFPVAQF-GXFFZTMASA-N -1 0 341.370 3.531 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N2CC3(CCC3)c3c2cccc3F)o1 ZINC000911691176 1039462191 /nfs/dbraw/zinc/46/21/91/1039462191.db2.gz BHWLMRUAUGUTEA-SOFGYWHQSA-N -1 0 341.338 3.599 20 0 EHADRM CCCCSCC(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC000911738185 1039478449 /nfs/dbraw/zinc/47/84/49/1039478449.db2.gz PKGQXJAABKTRDX-UHFFFAOYSA-N -1 0 325.430 3.644 20 0 EHADRM CCN(CC(C)(C)O)C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000156049481 1039490135 /nfs/dbraw/zinc/49/01/35/1039490135.db2.gz DWHSQYMTLBJFJF-UHFFFAOYSA-N -1 0 347.842 3.946 20 0 EHADRM O=C([O-])C12CCC(C(=O)NC[C@@H](c3ccccc3)C3CC3)(CC1)CC2 ZINC000911757079 1039508221 /nfs/dbraw/zinc/50/82/21/1039508221.db2.gz LNAVUBIRGVSSNW-RPCJCACASA-N -1 0 341.451 3.722 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)C[C@H](C)c1ccccc1)C(=O)[O-] ZINC000485750541 1039511790 /nfs/dbraw/zinc/51/17/90/1039511790.db2.gz GTYYYPFPRBYVTK-DLBZAZTESA-N -1 0 339.435 3.930 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)NC(C)(C)C(=O)[O-])cc2)cc1 ZINC000554599891 1039525790 /nfs/dbraw/zinc/52/57/90/1039525790.db2.gz INFCQQISKSRWEC-UHFFFAOYSA-N -1 0 328.368 3.772 20 0 EHADRM CC(C)[C@H](CN=c1[n-]nc(C2CCOCC2)s1)c1ccccc1 ZINC000549467385 1039562301 /nfs/dbraw/zinc/56/23/01/1039562301.db2.gz RTUKFBLHJRDHNG-INIZCTEOSA-N -1 0 331.485 3.706 20 0 EHADRM C/C=C/C[C@@H]1CCCN(C(=O)c2nn(-c3cccc(F)c3)cc2[O-])C1 ZINC000629873934 1039591358 /nfs/dbraw/zinc/59/13/58/1039591358.db2.gz UANFTZNEBKOHDY-BAABZTOOSA-N -1 0 343.402 3.535 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)NC2CCC=CCC2)CC1 ZINC000898866854 1039638666 /nfs/dbraw/zinc/63/86/66/1039638666.db2.gz JOXLJLKIAKWDGR-UHFFFAOYSA-N -1 0 342.439 3.773 20 0 EHADRM CC[C@H]1[C@H](C)CCN1C(=O)N=c1[n-]nc(Cc2ccc(C)cc2)s1 ZINC000480550395 1039672856 /nfs/dbraw/zinc/67/28/56/1039672856.db2.gz DZLGYYKKNSBZEH-HIFRSBDPSA-N -1 0 344.484 3.512 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)c2cc3cc(Cl)sc3[nH]2)s[n-]1 ZINC000486099597 1039878970 /nfs/dbraw/zinc/87/89/70/1039878970.db2.gz YGXKNXOSTXSHQK-UHFFFAOYSA-N -1 0 340.861 3.706 20 0 EHADRM CC(C)(C)Oc1c(F)cc(NC(=O)c2nnc(C3CC3)o2)cc1F ZINC000907303795 1040003444 /nfs/dbraw/zinc/00/34/44/1040003444.db2.gz XJMWJJJGCCCFBO-UHFFFAOYSA-N -1 0 337.326 3.655 20 0 EHADRM CCOCc1cc(CNc2cc(C(=O)[O-])ccc2OC)ccc1OC ZINC000417571607 1040007907 /nfs/dbraw/zinc/00/79/07/1040007907.db2.gz FSTBDXIGNIUMKC-UHFFFAOYSA-N -1 0 345.395 3.551 20 0 EHADRM CC(C)Cn1cc(N=c2nc(C(C)(C)C)[n-]s2)c(C(F)F)n1 ZINC000489466709 1040009805 /nfs/dbraw/zinc/00/98/05/1040009805.db2.gz RRMSZAYJFWNLCU-UHFFFAOYSA-N -1 0 329.420 3.791 20 0 EHADRM Cn1cc(CNc2ccc(CCCC(=O)[O-])cc2)c(C(C)(C)C)n1 ZINC000417587884 1040040863 /nfs/dbraw/zinc/04/08/63/1040040863.db2.gz SSDKHIQPKJQCBP-UHFFFAOYSA-N -1 0 329.444 3.737 20 0 EHADRM C[C@@H](Cc1ccc(NCc2cn(C)nc2C(C)(C)C)cc1)C(=O)[O-] ZINC000417606752 1040057555 /nfs/dbraw/zinc/05/75/55/1040057555.db2.gz FHLNBFJGSUVCLC-ZDUSSCGKSA-N -1 0 329.444 3.593 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000659152986 1040059697 /nfs/dbraw/zinc/05/96/97/1040059697.db2.gz FVTWBEFRBOIQJX-CYBMUJFWSA-N -1 0 349.770 3.583 20 0 EHADRM COc1ccc(CNc2ccc([C@@H](C)CC(=O)[O-])cc2)cc1OC ZINC000417616810 1040068635 /nfs/dbraw/zinc/06/86/35/1040068635.db2.gz ZLUMGCLGDQOBGN-ZDUSSCGKSA-N -1 0 329.396 3.894 20 0 EHADRM COc1ccc(CNc2ccc([C@@H](C)CC(=O)[O-])cc2)c(OC)c1 ZINC000417612720 1040080144 /nfs/dbraw/zinc/08/01/44/1040080144.db2.gz RQGMTIYPVVMAEE-ZDUSSCGKSA-N -1 0 329.396 3.894 20 0 EHADRM C[C@@H](Cc1cccc(Br)c1)N=c1[n-]nc(C(F)F)s1 ZINC000584858761 1040127273 /nfs/dbraw/zinc/12/72/73/1040127273.db2.gz LBDKAQKVTLRSMI-ZETCQYMHSA-N -1 0 348.216 3.703 20 0 EHADRM CC1=C(C)C[C@@](C)(C(=O)N2CCc3cccc(C(=O)[O-])c3C2)CC1 ZINC000907687679 1040128172 /nfs/dbraw/zinc/12/81/72/1040128172.db2.gz FTMWWKOWDWYPLG-FQEVSTJZSA-N -1 0 327.424 3.796 20 0 EHADRM C[C@H](Sc1ccc(NCc2c[nH]nc2C(C)(C)C)cc1)C(=O)[O-] ZINC000417657648 1040139377 /nfs/dbraw/zinc/13/93/77/1040139377.db2.gz MJOHQWGHRWYDDE-NSHDSACASA-N -1 0 333.457 3.885 20 0 EHADRM CC(C)(C)Cc1ccccc1C(=O)Nc1ncc(CC(=O)[O-])s1 ZINC000907767341 1040157935 /nfs/dbraw/zinc/15/79/35/1040157935.db2.gz SVBRDUJTWMXUPC-UHFFFAOYSA-N -1 0 332.425 3.611 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000907927229 1040233849 /nfs/dbraw/zinc/23/38/49/1040233849.db2.gz XMKXKBOCSITDHG-MKXGPGLRSA-N -1 0 335.403 3.583 20 0 EHADRM C[C@H](CC(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@H]12)Cc1ccc(Cl)cc1 ZINC000907938699 1040237130 /nfs/dbraw/zinc/23/71/30/1040237130.db2.gz DDIYZAFNLIGPBF-BQHCWPDZSA-N -1 0 349.858 3.524 20 0 EHADRM CCC[C@@H](C)CNc1cccc(S(=O)(=O)[N-]c2nccs2)c1 ZINC000512612167 1040271625 /nfs/dbraw/zinc/27/16/25/1040271625.db2.gz DFCUHICRBWNZJC-GFCCVEGCSA-N -1 0 339.486 3.792 20 0 EHADRM CC1(c2cc([N-]S(=O)(=O)c3cccc(Cl)c3)no2)CCCC1 ZINC000432961813 1040281783 /nfs/dbraw/zinc/28/17/83/1040281783.db2.gz PGDRVJJCHWCDBW-UHFFFAOYSA-N -1 0 340.832 3.961 20 0 EHADRM CN(C(=O)c1cccc(C(C)(C)C)c1)c1cccc(CC(=O)[O-])c1 ZINC000908080115 1040290949 /nfs/dbraw/zinc/29/09/49/1040290949.db2.gz OHBCTPWVDFCFSG-UHFFFAOYSA-N -1 0 325.408 3.888 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)/C=C/c1cc(C(=O)[O-])co1)C(C)(C)C ZINC000908118874 1040296379 /nfs/dbraw/zinc/29/63/79/1040296379.db2.gz GSZCULHXMVDWPM-OZSKJFCKSA-N -1 0 342.395 3.598 20 0 EHADRM CC(C)Oc1cccc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000899313475 1040312420 /nfs/dbraw/zinc/31/24/20/1040312420.db2.gz LOGUZXCPLTXYST-HNNXBMFYSA-N -1 0 334.416 3.725 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(F)cc1OC(F)F ZINC000479514307 1040334369 /nfs/dbraw/zinc/33/43/69/1040334369.db2.gz WBPYJCGLUPNSNS-UHFFFAOYSA-N -1 0 349.305 3.675 20 0 EHADRM Fc1ccccc1[C@H]1CC[C@@H](N=c2[n-]nc(-c3ccccn3)s2)C1 ZINC000481082650 1040337836 /nfs/dbraw/zinc/33/78/36/1040337836.db2.gz AJBURAXMOIFANH-QWHCGFSZSA-N -1 0 340.427 3.909 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CCC(C)(C(=O)[O-])CC2)c1 ZINC000364174315 1040346094 /nfs/dbraw/zinc/34/60/94/1040346094.db2.gz UVVXGBPGIBBBJF-HNNXBMFYSA-N -1 0 347.455 3.599 20 0 EHADRM O=c1c(C(F)(F)F)c(C2CC2)[n-]n1-c1cccc(C(F)(F)F)c1 ZINC000899348758 1040368082 /nfs/dbraw/zinc/36/80/82/1040368082.db2.gz JMZMUHSCXFJGJC-JTQLQIEISA-N -1 0 336.235 3.997 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)CCC1 ZINC000908332444 1040395966 /nfs/dbraw/zinc/39/59/66/1040395966.db2.gz GCDDDDXAKMXZMG-OLZOCXBDSA-N -1 0 349.393 3.897 20 0 EHADRM Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908337243 1040399542 /nfs/dbraw/zinc/39/95/42/1040399542.db2.gz ABIGCZPSZMFQEJ-KBPBESRZSA-N -1 0 335.469 3.701 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908337431 1040399798 /nfs/dbraw/zinc/39/97/98/1040399798.db2.gz AQDJWWUJWBIRES-DLBZAZTESA-N -1 0 329.440 3.640 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)c2cccc(F)c2Cl)CCC1 ZINC000908343234 1040401633 /nfs/dbraw/zinc/40/16/33/1040401633.db2.gz OOGCRWQYQKGXAP-UHFFFAOYSA-N -1 0 327.783 3.634 20 0 EHADRM O=c1cc(-c2ccc(Cl)cc2)[n-]n1-c1ncccc1C(F)(F)F ZINC000614187205 1040425926 /nfs/dbraw/zinc/42/59/26/1040425926.db2.gz WRQFQAVKOTXIGQ-UHFFFAOYSA-N -1 0 339.704 3.895 20 0 EHADRM CC[C@@H](C(=O)Nc1cccc(C(=O)[O-])c1OC)c1ccc(OC)cc1 ZINC000908499578 1040482423 /nfs/dbraw/zinc/48/24/23/1040482423.db2.gz BVOAIALTEHSBAF-CQSZACIVSA-N -1 0 343.379 3.534 20 0 EHADRM COc1c(NC(=O)[C@H]2C[C@H]2c2sccc2C)cccc1C(=O)[O-] ZINC000908506177 1040497525 /nfs/dbraw/zinc/49/75/25/1040497525.db2.gz AIIQLTNMMHLFEU-NEPJUHHUSA-N -1 0 331.393 3.506 20 0 EHADRM CCc1ncc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)s1 ZINC000545894583 1040498956 /nfs/dbraw/zinc/49/89/56/1040498956.db2.gz WBYGQCYXKWYYSR-UHFFFAOYSA-N -1 0 337.253 3.813 20 0 EHADRM CCOC(=O)c1sc(Nc2ccc(C(=O)[O-])c(C)c2)nc1C1CC1 ZINC001211655105 1040528562 /nfs/dbraw/zinc/52/85/62/1040528562.db2.gz NMWSNWIKHCYLER-UHFFFAOYSA-N -1 0 346.408 3.947 20 0 EHADRM CCC[C@]1(C(=O)[O-])CCCN1C(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000908621093 1040548324 /nfs/dbraw/zinc/54/83/24/1040548324.db2.gz QKGFMVWDUIAMPU-GOSISDBHSA-N -1 0 329.400 3.728 20 0 EHADRM CCc1cnc(NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)s1 ZINC000908660875 1040563206 /nfs/dbraw/zinc/56/32/06/1040563206.db2.gz QCPZDZGVMQKBEP-KBPBESRZSA-N -1 0 345.424 3.528 20 0 EHADRM O=C([O-])c1nc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cs1 ZINC000908687622 1040574475 /nfs/dbraw/zinc/57/44/75/1040574475.db2.gz JFKZKJOXXYBLJG-UHFFFAOYSA-N -1 0 340.360 3.886 20 0 EHADRM O=C([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000042233322 1040576597 /nfs/dbraw/zinc/57/65/97/1040576597.db2.gz FDBBGLQUBBENFC-UHFFFAOYSA-N -1 0 330.192 3.687 20 0 EHADRM O=C([O-])c1nc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cs1 ZINC000908696375 1040581894 /nfs/dbraw/zinc/58/18/94/1040581894.db2.gz HBQARFFXNZFPJW-UHFFFAOYSA-N -1 0 336.372 3.665 20 0 EHADRM CCOc1c(Cl)cccc1CN=c1[n-]nc(Cc2ccccc2)o1 ZINC000479766450 1040605597 /nfs/dbraw/zinc/60/55/97/1040605597.db2.gz GDDUIDYOQYOTJG-UHFFFAOYSA-N -1 0 343.814 3.747 20 0 EHADRM CCc1cccc(F)c1CN=c1[n-]nc(CCc2ccccc2)o1 ZINC000479795617 1040611140 /nfs/dbraw/zinc/61/11/40/1040611140.db2.gz WHHCQHHALUOLBN-UHFFFAOYSA-N -1 0 325.387 3.590 20 0 EHADRM C[C@@H](CC1CC1)NC(=O)N=c1[n-]nc(C(C)(C)c2ccccc2)s1 ZINC000497698452 1040614955 /nfs/dbraw/zinc/61/49/55/1040614955.db2.gz DHIOQQVUNREYQG-LBPRGKRZSA-N -1 0 344.484 3.596 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)Nc1ccccc1OC1CCCC1 ZINC000908739984 1040622557 /nfs/dbraw/zinc/62/25/57/1040622557.db2.gz MXNJXNLKMZJFSW-UHFFFAOYSA-N -1 0 329.352 3.860 20 0 EHADRM CCOc1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1F ZINC000908747160 1040626053 /nfs/dbraw/zinc/62/60/53/1040626053.db2.gz OEBYDYKOSIHJMD-UHFFFAOYSA-N -1 0 335.375 3.588 20 0 EHADRM O=C([O-])c1ccc2oc(/C=C\c3ccc(-n4cccn4)cc3)nc2c1 ZINC000555464612 1040630648 /nfs/dbraw/zinc/63/06/48/1040630648.db2.gz MIIMSXKAOGIVLV-WTKPLQERSA-N -1 0 331.331 3.882 20 0 EHADRM FC(F)(F)c1n[n-]c(=NCCOc2ccc3ccccc3c2)s1 ZINC000479818596 1040644827 /nfs/dbraw/zinc/64/48/27/1040644827.db2.gz VEMUYQQZNXHQTG-UHFFFAOYSA-N -1 0 339.342 3.623 20 0 EHADRM Cc1cc(C)cc(C[C@@H](C)NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC000908832907 1040679690 /nfs/dbraw/zinc/67/96/90/1040679690.db2.gz UJSRSYSGYFZABE-YMTQGWHGSA-N -1 0 343.467 3.776 20 0 EHADRM Cc1cc(C)c(CC(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)s1 ZINC000908936925 1040714035 /nfs/dbraw/zinc/71/40/35/1040714035.db2.gz PTJYHVZHOAVCKL-HNNXBMFYSA-N -1 0 331.437 3.630 20 0 EHADRM Cc1ccc2cc(C(=O)Nc3cc(-c4n[nH]c(=O)[n-]4)ccc3C)[nH]c2c1 ZINC000555534340 1040756222 /nfs/dbraw/zinc/75/62/22/1040756222.db2.gz MSESAUVGLBLDEC-UHFFFAOYSA-N -1 0 347.378 3.528 20 0 EHADRM Cc1cc(O[C@@H](C)C(=O)[N-]OCCC(F)(F)F)ccc1C(C)C ZINC000162609218 1040763704 /nfs/dbraw/zinc/76/37/04/1040763704.db2.gz VLOXCQYOUFYXKD-LBPRGKRZSA-N -1 0 333.350 3.886 20 0 EHADRM CC(C)C1CCC(N(C)C(=O)N=c2ccc(C(F)(F)F)n[n-]2)CC1 ZINC000433111233 1040771082 /nfs/dbraw/zinc/77/10/82/1040771082.db2.gz TVPJZSSRMZGVMT-UHFFFAOYSA-N -1 0 344.381 3.596 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C[C@@H]1CCc2sccc2C1=O ZINC000909086024 1040794228 /nfs/dbraw/zinc/79/42/28/1040794228.db2.gz JBFMMSCNGWSOGV-NSHDSACASA-N -1 0 343.404 3.529 20 0 EHADRM CC(C)Oc1cccc(F)c1Nc1cccc(S(=O)(=O)[O-])c1 ZINC001211778463 1040824035 /nfs/dbraw/zinc/82/40/35/1040824035.db2.gz YHATZRPOUIFKQT-UHFFFAOYSA-N -1 0 325.361 3.603 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)nn1C1CCCCC1 ZINC000909106709 1040825861 /nfs/dbraw/zinc/82/58/61/1040825861.db2.gz VSRKKJUBZODHFR-UHFFFAOYSA-N -1 0 345.374 3.786 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1cc(C(F)(F)F)[nH]n1 ZINC000555578592 1040847797 /nfs/dbraw/zinc/84/77/97/1040847797.db2.gz PYGKZAVMDUIQKD-UHFFFAOYSA-N -1 0 340.088 3.693 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1)[C@@H]1CC12CCC2 ZINC000759815410 1040866776 /nfs/dbraw/zinc/86/67/76/1040866776.db2.gz QVQMJKBUUSCXFM-KRWDZBQOSA-N -1 0 347.480 3.729 20 0 EHADRM CCC[C@H](C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC000236994415 1040868465 /nfs/dbraw/zinc/86/84/65/1040868465.db2.gz KBJIEIQUJCPOAK-OALUTQOASA-N -1 0 339.435 3.630 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)cc1C ZINC000481420547 1040881637 /nfs/dbraw/zinc/88/16/37/1040881637.db2.gz YTJMCHAZVQNPSU-UHFFFAOYSA-N -1 0 328.393 3.759 20 0 EHADRM Cc1c(C(=O)[O-])cc(F)cc1-c1cccc(CO[C@@H]2CCOC2)c1 ZINC000899632887 1040882551 /nfs/dbraw/zinc/88/25/51/1040882551.db2.gz JLAZTJOVTGDFFT-MRXNPFEDSA-N -1 0 330.355 3.805 20 0 EHADRM CC1(C)Cc2cc(-c3ccc4c(c3)[C@@H](CC(=O)[O-])C(=O)N4)ccc2O1 ZINC000899638405 1040904958 /nfs/dbraw/zinc/90/49/58/1040904958.db2.gz HAXLFWXEKLYQLP-OAHLLOKOSA-N -1 0 337.375 3.578 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccn(CCC(C)C)n2)sc1Cl ZINC000473479617 1040938677 /nfs/dbraw/zinc/93/86/77/1040938677.db2.gz PEKNZTOTCVMYSB-UHFFFAOYSA-N -1 0 347.893 3.753 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(-c3ccccc3)o2)C1 ZINC000909699612 1040943522 /nfs/dbraw/zinc/94/35/22/1040943522.db2.gz CGZIKIHDLORHBC-LJQANCHMSA-N -1 0 327.380 3.520 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N1CCC[C@@H]1CCC1CCCCC1 ZINC000909724268 1040967012 /nfs/dbraw/zinc/96/70/12/1040967012.db2.gz AVNLMWFRYHSVJP-OAHLLOKOSA-N -1 0 333.428 3.872 20 0 EHADRM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)c2csc(C(=O)[O-])n2)cc1 ZINC000909727815 1040969040 /nfs/dbraw/zinc/96/90/40/1040969040.db2.gz GKMJTDMFZIPRRY-DZGCQCFKSA-N -1 0 344.436 3.558 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)c1ccccc1NC1CCCCC1 ZINC000909738848 1040990583 /nfs/dbraw/zinc/99/05/83/1040990583.db2.gz APCONMPISJRYJS-HNNXBMFYSA-N -1 0 330.428 3.511 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cn(C)nc2C2CCCC2)c1 ZINC000909830432 1041016536 /nfs/dbraw/zinc/01/65/36/1041016536.db2.gz KYAONKLSSZQLKC-LBPRGKRZSA-N -1 0 341.411 3.518 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2ccn(C3CCCCC3)n2)c1 ZINC000909832225 1041028731 /nfs/dbraw/zinc/02/87/31/1041028731.db2.gz QRFQAHZZTNZGMG-ZDUSSCGKSA-N -1 0 341.411 3.829 20 0 EHADRM COc1cccc(C2(C(=O)Nc3ccc([C@H](C)C(=O)[O-])cc3)CC2)c1 ZINC000909835846 1041030698 /nfs/dbraw/zinc/03/06/98/1041030698.db2.gz JYJIIOXTNOQQBL-ZDUSSCGKSA-N -1 0 339.391 3.554 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)NCc1ccccc1C ZINC000555723557 1041044512 /nfs/dbraw/zinc/04/45/12/1041044512.db2.gz IWFUPCDBXIKRIW-GOSISDBHSA-N -1 0 340.423 3.743 20 0 EHADRM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CC1(C(=O)[O-])CCC1 ZINC000261721455 1041081803 /nfs/dbraw/zinc/08/18/03/1041081803.db2.gz QFJGETLJLHCNQY-UHFFFAOYSA-N -1 0 330.211 3.597 20 0 EHADRM COc1c(C)ccc(NC(=O)C[C@H](C(=O)[O-])c2ccc(C)cc2)c1C ZINC000899761330 1041089219 /nfs/dbraw/zinc/08/92/19/1041089219.db2.gz HJHBYNBGCONEFJ-INIZCTEOSA-N -1 0 341.407 3.817 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N[C@H](C)c2c(F)cccc2F)C(=O)[O-])cc1 ZINC000899765015 1041093492 /nfs/dbraw/zinc/09/34/92/1041093492.db2.gz OENQWJPFESOKHJ-TZMCWYRMSA-N -1 0 347.361 3.709 20 0 EHADRM CCOc1cc(C)ccc1NC(=O)C[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC000899763906 1041093999 /nfs/dbraw/zinc/09/39/99/1041093999.db2.gz HZRVAUOCWXWRBR-INIZCTEOSA-N -1 0 341.407 3.899 20 0 EHADRM CSc1ccc(CNC(=O)C[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000899766598 1041094731 /nfs/dbraw/zinc/09/47/31/1041094731.db2.gz UVYXXIUOZLYHEU-QGZVFWFLSA-N -1 0 343.448 3.592 20 0 EHADRM Cc1ccc([C@H](CC(=O)Nc2cc(C)c(O)c(C)c2C)C(=O)[O-])cc1 ZINC000899781627 1041105385 /nfs/dbraw/zinc/10/53/85/1041105385.db2.gz PHQHQLNODNFLNL-INIZCTEOSA-N -1 0 341.407 3.823 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)NCc1cccc(-c2cccnc2)c1 ZINC000899781178 1041106053 /nfs/dbraw/zinc/10/60/53/1041106053.db2.gz LVELIRVXBYVGBY-GOSISDBHSA-N -1 0 340.423 3.502 20 0 EHADRM Cc1ncc(-c2ccc(NC(=O)[C@@H](CC(=O)[O-])CC(C)C)cc2)o1 ZINC000899798940 1041134523 /nfs/dbraw/zinc/13/45/23/1041134523.db2.gz MJMYYXTVLQQXQF-CQSZACIVSA-N -1 0 330.384 3.726 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C(=O)[O-])cc1 ZINC000899799539 1041135922 /nfs/dbraw/zinc/13/59/22/1041135922.db2.gz RETVNHASUVFUCQ-ATOXUGOLSA-N -1 0 339.435 3.572 20 0 EHADRM Cc1ccc([C@H](CC(=O)N2CCC[C@@H]2c2ccsc2)C(=O)[O-])cc1 ZINC000899799526 1041137200 /nfs/dbraw/zinc/13/72/00/1041137200.db2.gz RCVNIQZNHIJJMM-DLBZAZTESA-N -1 0 343.448 3.979 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C(=O)[O-])cc1 ZINC000899799540 1041137419 /nfs/dbraw/zinc/13/74/19/1041137419.db2.gz RETVNHASUVFUCQ-XNXCGYLDSA-N -1 0 339.435 3.572 20 0 EHADRM CCN(Cc1cccs1)C(=O)C[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000899800949 1041139562 /nfs/dbraw/zinc/13/95/62/1041139562.db2.gz IPFWDAPORBOZRF-MRXNPFEDSA-N -1 0 331.437 3.664 20 0 EHADRM COc1c(C)cc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-] ZINC000899794636 1041144426 /nfs/dbraw/zinc/14/44/26/1041144426.db2.gz MSSVALZEYUUBLR-VHFNBUCGSA-N -1 0 349.814 3.509 20 0 EHADRM CC[C@H](SC)C(=O)N1CCC([C@@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000910030878 1041144596 /nfs/dbraw/zinc/14/45/96/1041144596.db2.gz DBDFODFFQPXSGP-IRXDYDNUSA-N -1 0 349.496 3.625 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000899796531 1041149506 /nfs/dbraw/zinc/14/95/06/1041149506.db2.gz LMRPSIFRXCGCQV-DGCLKSJQSA-N -1 0 327.371 3.621 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000899796533 1041149564 /nfs/dbraw/zinc/14/95/64/1041149564.db2.gz LMRPSIFRXCGCQV-YPMHNXCESA-N -1 0 327.371 3.621 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1ccc2nn(C(C)C)cc2c1 ZINC000899810605 1041156435 /nfs/dbraw/zinc/15/64/35/1041156435.db2.gz WWDWDMDDZDSCCI-CYBMUJFWSA-N -1 0 331.416 3.693 20 0 EHADRM Cc1ccc([C@H](CC(=O)N[C@@H](C(C)(C)C)C(F)(F)F)C(=O)[O-])cc1 ZINC000899812107 1041158622 /nfs/dbraw/zinc/15/86/22/1041158622.db2.gz MOEKWVGABAYHTA-WFASDCNBSA-N -1 0 345.361 3.647 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000899812623 1041159350 /nfs/dbraw/zinc/15/93/50/1041159350.db2.gz BWEDRPSGFJCTFB-GOEBONIOSA-N -1 0 345.439 3.686 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000899813899 1041159666 /nfs/dbraw/zinc/15/96/66/1041159666.db2.gz WFJXDDRMRMMIPM-UKRRQHHQSA-N -1 0 344.411 3.656 20 0 EHADRM Cc1ccc(C)c(C(=O)N[C@H](C)c2ccc(F)cc2C)c1C(=O)[O-] ZINC000899833436 1041178522 /nfs/dbraw/zinc/17/85/22/1041178522.db2.gz CMJVDXORYLDAAH-CYBMUJFWSA-N -1 0 329.371 3.940 20 0 EHADRM CSC1CCC(CNC(=O)C[C@@H](C(=O)[O-])c2ccc(C)cc2)CC1 ZINC000899836421 1041181883 /nfs/dbraw/zinc/18/18/83/1041181883.db2.gz UWYJTZDAIQCFQE-BDVYOWHSSA-N -1 0 349.496 3.591 20 0 EHADRM O=C([O-])c1csc([C@H]2CCCN2C(=O)CCC2CCCCC2)n1 ZINC000910112336 1041195074 /nfs/dbraw/zinc/19/50/74/1041195074.db2.gz LBVCPCPOKKBVIZ-CQSZACIVSA-N -1 0 336.457 3.865 20 0 EHADRM COc1c(C)cc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)cc1C ZINC000192861880 1041195002 /nfs/dbraw/zinc/19/50/02/1041195002.db2.gz WLRNCAUAIRZSIZ-KRWDZBQOSA-N -1 0 341.407 3.648 20 0 EHADRM O=C([O-])[C@]1(CC(=O)Nc2ccc(C(F)F)cc2)CCc2ccccc21 ZINC000899841835 1041205050 /nfs/dbraw/zinc/20/50/50/1041205050.db2.gz GBPIVQBJIZGTJE-IBGZPJMESA-N -1 0 345.345 3.922 20 0 EHADRM CC(C)(C)Oc1cccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C(=O)[O-])c1 ZINC000899851228 1041209992 /nfs/dbraw/zinc/20/99/92/1041209992.db2.gz SECXYGUCMPFTHP-MEGQDDJESA-N -1 0 343.423 3.715 20 0 EHADRM CCO[C@H](CC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1)C1=CCCC1 ZINC000432004087 1041462097 /nfs/dbraw/zinc/46/20/97/1041462097.db2.gz XBRGQOQTYDRUNR-RDTXWAMCSA-N -1 0 345.439 3.794 20 0 EHADRM CC[C@@H](C)n1ncc(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)c1C1CC1 ZINC000652089309 1041555551 /nfs/dbraw/zinc/55/55/51/1041555551.db2.gz ZNGTZASAGLNIBS-KGLIPLIRSA-N -1 0 349.475 3.598 20 0 EHADRM CC(C)[C@@H](NC(=O)c1cc(C(=O)[O-])co1)c1ccc(Cl)cc1F ZINC000432099730 1041595745 /nfs/dbraw/zinc/59/57/45/1041595745.db2.gz RTZNAUZUSDQJHY-CQSZACIVSA-N -1 0 339.750 3.897 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000432110217 1041603093 /nfs/dbraw/zinc/60/30/93/1041603093.db2.gz HQVVMIYMMRRPGO-YYFZDKIDSA-N -1 0 347.455 3.729 20 0 EHADRM Cc1cc(CCCC(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])c(C)s1 ZINC000432113759 1041606043 /nfs/dbraw/zinc/60/60/43/1041606043.db2.gz IMHCKDGEDWRKPN-YJBOKZPZSA-N -1 0 337.485 3.837 20 0 EHADRM CC(C)(C)c1ccc(C(C)(C)NC(=O)CC2(C(=O)[O-])CCC2)cc1 ZINC000432112784 1041608232 /nfs/dbraw/zinc/60/82/32/1041608232.db2.gz NFJCKOFHQVOISF-UHFFFAOYSA-N -1 0 331.456 3.980 20 0 EHADRM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)CC1(CC(=O)[O-])CCCCC1 ZINC000392320049 1041614980 /nfs/dbraw/zinc/61/49/80/1041614980.db2.gz SUSZMLDPAVVEIN-LBPRGKRZSA-N -1 0 349.393 3.991 20 0 EHADRM CCc1oc(C(=O)N2CCC[C@H](c3ccccc3)C2)cc1C(=O)[O-] ZINC000659166134 1041633936 /nfs/dbraw/zinc/63/39/36/1041633936.db2.gz NCMUAUYKACBYIY-AWEZNQCLSA-N -1 0 327.380 3.560 20 0 EHADRM CC(C)(C)c1nc(=NC2(Cc3ccc(F)cc3)CCOCC2)s[n-]1 ZINC000432141331 1041641997 /nfs/dbraw/zinc/64/19/97/1041641997.db2.gz DDCCMXKSUMNJGG-UHFFFAOYSA-N -1 0 349.475 3.600 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)C[C@H]1C1CC1 ZINC000652125075 1041672502 /nfs/dbraw/zinc/67/25/02/1041672502.db2.gz BFXLGROPPKKNHQ-ZGXWSNOMSA-N -1 0 349.430 3.513 20 0 EHADRM Cc1ccccc1[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000909343394 1041673839 /nfs/dbraw/zinc/67/38/39/1041673839.db2.gz SAZYZMVWBHEGFY-SJCJKPOMSA-N -1 0 347.361 3.709 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)C1CCC(C(=O)[O-])CC1 ZINC000659167024 1041682477 /nfs/dbraw/zinc/68/24/77/1041682477.db2.gz JPCSWROLRBTIAF-UHFFFAOYSA-N -1 0 327.833 3.891 20 0 EHADRM CCOC(=O)CCc1ccc(Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC001211660804 1041698573 /nfs/dbraw/zinc/69/85/73/1041698573.db2.gz MCQOCMMXJLXHEY-UHFFFAOYSA-N -1 0 327.380 3.933 20 0 EHADRM CC(C)Oc1ccc(NC(=O)c2c([O-])cc(F)cc2F)c(F)c1 ZINC000094072201 1042007811 /nfs/dbraw/zinc/00/78/11/1042007811.db2.gz RWRRDPHVSVSTNC-UHFFFAOYSA-N -1 0 325.286 3.849 20 0 EHADRM C[C@H](C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccc(Cl)cc1 ZINC000653326857 1042047247 /nfs/dbraw/zinc/04/72/47/1042047247.db2.gz MCKLRPDZFNAWLP-YMRXKLBXSA-N -1 0 343.810 3.873 20 0 EHADRM CCNC(=O)c1cccc(NC(=O)c2cc3ccccc3cc2O)c1 ZINC000045809360 1042141140 /nfs/dbraw/zinc/14/11/40/1042141140.db2.gz XCZWQQOVSYRRIC-UHFFFAOYSA-N -1 0 334.375 3.547 20 0 EHADRM C[S@@](=O)c1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000613807828 1042195434 /nfs/dbraw/zinc/19/54/34/1042195434.db2.gz HGTANURMSXAENS-OAQYLSRUSA-N -1 0 344.219 3.689 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1c1ccnc2ccc(Br)cc21 ZINC000662894982 1042204495 /nfs/dbraw/zinc/20/44/95/1042204495.db2.gz YIDNQIGIATVMBC-MNOVXSKESA-N -1 0 349.228 3.687 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1c1nnc(-c2ccccc2Cl)s1 ZINC000662893818 1042205608 /nfs/dbraw/zinc/20/56/08/1042205608.db2.gz PAGQFODUBHLXJP-ZJUUUORDSA-N -1 0 337.832 3.548 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)ccc2o1 ZINC000663030046 1042363338 /nfs/dbraw/zinc/36/33/38/1042363338.db2.gz RPNVGGOJIKBGRT-ZDUSSCGKSA-N -1 0 332.400 3.811 20 0 EHADRM O=C([O-])C1(C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)CC=CC1 ZINC000663036572 1042371117 /nfs/dbraw/zinc/37/11/17/1042371117.db2.gz UYJSDCJOMVBTQA-GFCCVEGCSA-N -1 0 340.206 3.518 20 0 EHADRM CC1(C)Oc2ccc(NC(=O)c3cc(F)c([O-])c(Cl)c3)cc2O1 ZINC000184266184 1042389984 /nfs/dbraw/zinc/38/99/84/1042389984.db2.gz HFOMODWAFTZZSJ-UHFFFAOYSA-N -1 0 337.734 3.944 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000663076948 1042425822 /nfs/dbraw/zinc/42/58/22/1042425822.db2.gz RUSBVRSLJUXVMB-GFCCVEGCSA-N -1 0 331.334 3.867 20 0 EHADRM Cc1ccccc1-c1csc(NC(=O)[C@]2(C(=O)[O-])CC2(C)C)n1 ZINC000663082290 1042433515 /nfs/dbraw/zinc/43/35/15/1042433515.db2.gz SDBFTQXZVGTGOV-KRWDZBQOSA-N -1 0 330.409 3.558 20 0 EHADRM O=C(Nc1cnn(-c2ccccc2)c1)c1cc(F)c([O-])c(Cl)c1 ZINC000184326611 1042458055 /nfs/dbraw/zinc/45/80/55/1042458055.db2.gz KPIFKYABAJXELK-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1c[nH]cc1-c1ccc(F)cc1)CC(=O)[O-] ZINC000663138264 1042487782 /nfs/dbraw/zinc/48/77/82/1042487782.db2.gz IVUXMZSHHVGDEZ-ZDUSSCGKSA-N -1 0 346.402 3.688 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1ccc(F)cc1C(F)(F)F)CC(=O)[O-] ZINC000663139427 1042488718 /nfs/dbraw/zinc/48/87/18/1042488718.db2.gz DRBIAZCVLMLURD-JTQLQIEISA-N -1 0 349.324 3.711 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663145989 1042493297 /nfs/dbraw/zinc/49/32/97/1042493297.db2.gz CABKDRNXVVNZPH-CYBMUJFWSA-N -1 0 335.787 3.625 20 0 EHADRM C[C@@H](C(=O)NC[C@H](C(=O)[O-])C1CCC1)c1ccc2ccccc2c1 ZINC000663154928 1042497515 /nfs/dbraw/zinc/49/75/15/1042497515.db2.gz PGDCGZFJMVNLGY-ACJLOTCBSA-N -1 0 325.408 3.560 20 0 EHADRM O=C([O-])CCC1CCN(Cc2cc(F)ccc2OC(F)F)CC1 ZINC000662218558 1042610846 /nfs/dbraw/zinc/61/08/46/1042610846.db2.gz XQEKXNHCLGGDOJ-UHFFFAOYSA-N -1 0 331.334 3.504 20 0 EHADRM CC1(c2ccccc2)CC(NS(=O)(=O)c2sccc2Cl)C1 ZINC001211691237 1042644601 /nfs/dbraw/zinc/64/46/01/1042644601.db2.gz BGNWCJYOYKEPAD-UHFFFAOYSA-N -1 0 341.885 3.800 20 0 EHADRM Cc1cc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c(C)n1C(C)C ZINC000236785712 1042666649 /nfs/dbraw/zinc/66/66/49/1042666649.db2.gz SPYZVJWFJXNOHF-XIRDDKMYSA-N -1 0 332.444 3.544 20 0 EHADRM O=C(NCCCc1cccc(Cl)c1)c1cc(F)c([O-])c(F)c1 ZINC000186716896 1042690482 /nfs/dbraw/zinc/69/04/82/1042690482.db2.gz LGQYJOYDDLWYOY-UHFFFAOYSA-N -1 0 325.742 3.686 20 0 EHADRM CC(C)(CC(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21)c1ccccc1 ZINC000236791493 1042778101 /nfs/dbraw/zinc/77/81/01/1042778101.db2.gz RZWABXKJPPZPCW-PVAVHDDUSA-N -1 0 329.440 3.599 20 0 EHADRM Cc1csc([C@@H](C)/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000067734959 1042780714 /nfs/dbraw/zinc/78/07/14/1042780714.db2.gz RIPHBZHUCQLUPF-SDUWKLLGSA-N -1 0 325.777 3.899 20 0 EHADRM Cc1c(NCc2csc(-c3ccccn3)n2)cccc1C(=O)[O-] ZINC000319645656 1042879865 /nfs/dbraw/zinc/87/98/65/1042879865.db2.gz CVKLDMXYGXQIQT-UHFFFAOYSA-N -1 0 325.393 3.824 20 0 EHADRM [O-]c1ccc(-c2nc(C3(c4cnccn4)CCCC3)no2)cc1Cl ZINC000924200017 1042906991 /nfs/dbraw/zinc/90/69/91/1042906991.db2.gz GHBOLOQBOKCNJH-UHFFFAOYSA-N -1 0 342.786 3.746 20 0 EHADRM Cc1ccc2cc(Cl)cc(C(=O)N3CCC[C@@H](C)[C@H]3C(=O)[O-])c2n1 ZINC000647743623 1042959947 /nfs/dbraw/zinc/95/99/47/1042959947.db2.gz RFAVEAWNJZPKBG-HWPZZCPQSA-N -1 0 346.814 3.522 20 0 EHADRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cnccc1-c1ccccc1 ZINC000432344061 1042978875 /nfs/dbraw/zinc/97/88/75/1042978875.db2.gz BJDQCDSZYOILNH-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM COc1ccc(C(=O)[O-])cc1NCc1cccc(Br)c1 ZINC000020880519 1043063769 /nfs/dbraw/zinc/06/37/69/1043063769.db2.gz AARVNGUTYHWVHG-UHFFFAOYSA-N -1 0 336.185 3.768 20 0 EHADRM CN(C(=O)N[C@@H]1CCCc2sccc21)C1(C(=O)[O-])CCCCC1 ZINC000324132869 1043270583 /nfs/dbraw/zinc/27/05/83/1043270583.db2.gz PUGKUXVSULPMJQ-CYBMUJFWSA-N -1 0 336.457 3.554 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000324446764 1043298774 /nfs/dbraw/zinc/29/87/74/1043298774.db2.gz CRYFIXHBANIGCC-UHFFFAOYSA-N -1 0 328.368 3.806 20 0 EHADRM CC(C)C[C@H](NC(=O)Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)[O-] ZINC000326436485 1043436518 /nfs/dbraw/zinc/43/65/18/1043436518.db2.gz XXMXNSAIUVNAEH-SFHVURJKSA-N -1 0 338.407 3.879 20 0 EHADRM Cc1cnc(Nc2ccc(C(=O)[O-])cc2F)c(Br)c1 ZINC001203283013 1134552832 /nfs/dbraw/zinc/55/28/32/1134552832.db2.gz DVUYHINAEKOZFH-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM Cc1ccc(S(=O)(=O)C=C([O-])c2cc(C)c(C)cc2C)cc1C ZINC000391305825 1044048859 /nfs/dbraw/zinc/04/88/59/1044048859.db2.gz BKFXKKQZTGIXLX-UHFFFAOYSA-N -1 0 330.449 3.885 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-])c1ccccc1 ZINC000324473187 1044400643 /nfs/dbraw/zinc/40/06/43/1044400643.db2.gz KUITXNZDRXCJTP-ZACQAIPSSA-N -1 0 329.440 3.947 20 0 EHADRM O=C(Nc1ccc(Cl)c(F)c1)c1nn(-c2ccccc2)cc1[O-] ZINC000344810346 1044454208 /nfs/dbraw/zinc/45/42/08/1044454208.db2.gz KOEKFJBFDMUZLX-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000236578314 1044483920 /nfs/dbraw/zinc/48/39/20/1044483920.db2.gz JQIYORRFYUMYBA-AWEZNQCLSA-N -1 0 333.428 3.581 20 0 EHADRM O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1c([O-])cccc1F ZINC000437000334 1044636306 /nfs/dbraw/zinc/63/63/06/1044636306.db2.gz MYULNYMZVGDWFF-UHFFFAOYSA-N -1 0 349.774 3.956 20 0 EHADRM CCSCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000236863504 1044799094 /nfs/dbraw/zinc/79/90/94/1044799094.db2.gz RPYLELKSLPTIIG-QGZVFWFLSA-N -1 0 343.448 3.886 20 0 EHADRM CCSCc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1 ZINC000236867207 1044864752 /nfs/dbraw/zinc/86/47/52/1044864752.db2.gz FDMJHTAMHCSEDV-IKGGRYGDSA-N -1 0 347.480 3.798 20 0 EHADRM CCC(CC)(CNC(=O)c1s[n-]c(=O)c1Cl)C(F)(F)F ZINC000871264598 1137530220 /nfs/dbraw/zinc/53/02/20/1137530220.db2.gz SILSMILSDHNEGT-UHFFFAOYSA-N -1 0 330.759 3.601 20 0 EHADRM O=C(NC1CCC(C2CCC2)CC1)c1cc(F)c(F)c([O-])c1F ZINC000620472658 1125580160 /nfs/dbraw/zinc/58/01/60/1125580160.db2.gz RPEXNRWGORUAHD-UHFFFAOYSA-N -1 0 327.346 3.898 20 0 EHADRM CC[C@@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000183557912 1125603881 /nfs/dbraw/zinc/60/38/81/1125603881.db2.gz SSBHTBWYRQGHJO-MNOVXSKESA-N -1 0 331.503 3.533 20 0 EHADRM Cc1ccc(C[C@H](NCc2csc(C(C)C)n2)C(=O)[O-])cc1C ZINC001328713987 1126174208 /nfs/dbraw/zinc/17/42/08/1126174208.db2.gz NQMMKAYCXNZEQU-INIZCTEOSA-N -1 0 332.469 3.669 20 0 EHADRM O=C(Nc1cccc(CCCO)c1)c1cccc(C(F)(F)F)c1[O-] ZINC000622500070 1126707902 /nfs/dbraw/zinc/70/79/02/1126707902.db2.gz MMVFGMDSZVJSON-UHFFFAOYSA-N -1 0 339.313 3.588 20 0 EHADRM Cc1cnc([C@H](C)CNC(=O)c2cccc(C(F)(F)F)c2[O-])s1 ZINC000622510994 1126712855 /nfs/dbraw/zinc/71/28/55/1126712855.db2.gz SUYQTJQNMUTCBW-MRVPVSSYSA-N -1 0 344.358 3.709 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])C(=O)c1ccc(F)cc1 ZINC000542636701 1126739476 /nfs/dbraw/zinc/73/94/76/1126739476.db2.gz AAXYGFLWWSAXJQ-UHFFFAOYSA-N -1 0 328.126 3.660 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCc2sc(Cl)cc2C1 ZINC000622735667 1126754225 /nfs/dbraw/zinc/75/42/25/1126754225.db2.gz AGPKUJAGLCSRTR-UHFFFAOYSA-N -1 0 328.220 3.959 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCc2sc(Cl)cc2C1 ZINC000622736067 1126754915 /nfs/dbraw/zinc/75/49/15/1126754915.db2.gz PCGWYXKCWFVYSV-UHFFFAOYSA-N -1 0 329.755 3.584 20 0 EHADRM O=C(N=c1ccc(-c2ccc(Cl)s2)n[n-]1)[C@H]1CCCCS1 ZINC000622929052 1126830806 /nfs/dbraw/zinc/83/08/06/1126830806.db2.gz AWYSGSQUXIGQTQ-LLVKDONJSA-N -1 0 339.873 3.505 20 0 EHADRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(C)nc2ccccc21 ZINC000185250889 1126837302 /nfs/dbraw/zinc/83/73/02/1126837302.db2.gz KSBZILNTQPCCKE-QGZVFWFLSA-N -1 0 337.423 3.562 20 0 EHADRM Cc1ccc(C(=O)Nc2cc(Cl)cc(Br)c2[O-])cn1 ZINC000174922051 1126863860 /nfs/dbraw/zinc/86/38/60/1126863860.db2.gz SWHNXYCBZLNLEX-UHFFFAOYSA-N -1 0 341.592 3.764 20 0 EHADRM CCCS(=O)(=O)[N-]c1ncc(Cc2ccccc2Cl)s1 ZINC000192472952 1126868728 /nfs/dbraw/zinc/86/87/28/1126868728.db2.gz MGDDQBGAGRWETN-UHFFFAOYSA-N -1 0 330.862 3.539 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)COc1cccc2ccccc21 ZINC000192893139 1126945643 /nfs/dbraw/zinc/94/56/43/1126945643.db2.gz NVUFNQCYPBWKNK-UHFFFAOYSA-N -1 0 349.386 3.575 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nc(C)c(Cl)cc2Cl)c(F)c1 ZINC000179644478 1127077588 /nfs/dbraw/zinc/07/75/88/1127077588.db2.gz DXQWTLJNXJCCKG-UHFFFAOYSA-N -1 0 349.214 3.945 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)c(C)o1 ZINC000182775370 1127347261 /nfs/dbraw/zinc/34/72/61/1127347261.db2.gz UKOMIYKVLJPJTP-UHFFFAOYSA-N -1 0 349.330 3.638 20 0 EHADRM CCCOc1ccc(NC(=O)c2cc(F)c(F)c([O-])c2F)cc1 ZINC000183687381 1127383839 /nfs/dbraw/zinc/38/38/39/1127383839.db2.gz WMOYXCRDUQKNID-UHFFFAOYSA-N -1 0 325.286 3.851 20 0 EHADRM C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](c1ccccc1)C1CCCC1 ZINC000184228386 1127399123 /nfs/dbraw/zinc/39/91/23/1127399123.db2.gz DULCTTGYGPDCMW-RISCZKNCSA-N -1 0 335.391 3.788 20 0 EHADRM CCC[C@@H]([N-]S(=O)(=O)[C@H](C)C(F)(F)F)c1ccc(F)cc1F ZINC000184676370 1127411367 /nfs/dbraw/zinc/41/13/67/1127411367.db2.gz SHYBDVNBAXCUKL-PRHODGIISA-N -1 0 345.333 3.676 20 0 EHADRM CC(C)Oc1ccc(NC(=O)c2cc(F)c(F)c([O-])c2F)c(F)c1 ZINC000185702180 1127430048 /nfs/dbraw/zinc/43/00/48/1127430048.db2.gz NJULHXTVODCYFC-UHFFFAOYSA-N -1 0 343.276 3.988 20 0 EHADRM O=C(Nc1nc(-c2ccc[nH]2)cs1)c1cc(F)c(F)c([O-])c1F ZINC000185776097 1127431338 /nfs/dbraw/zinc/43/13/38/1127431338.db2.gz LHYJOXLTSFCTHL-UHFFFAOYSA-N -1 0 339.298 3.513 20 0 EHADRM CSc1nn(Cc2cnc(-c3ccc(C(C)C)cc3)s2)c(=O)[n-]1 ZINC000194581605 1127462701 /nfs/dbraw/zinc/46/27/01/1127462701.db2.gz RPCGBMYVTPXXEB-UHFFFAOYSA-N -1 0 346.481 3.589 20 0 EHADRM COC(=O)/C(=C\c1ccc(C(=O)[O-])cc1)c1nc(C(C)(C)C)cs1 ZINC000764985668 1127562353 /nfs/dbraw/zinc/56/23/53/1127562353.db2.gz ZHSSEVXAFDCTBA-LCYFTJDESA-N -1 0 345.420 3.852 20 0 EHADRM CC(C)[C@@H](C)C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000171971526 1127643095 /nfs/dbraw/zinc/64/30/95/1127643095.db2.gz XVZHSXZUYTZANQ-CQSZACIVSA-N -1 0 346.452 3.718 20 0 EHADRM CN(C(=O)Nc1cccc(C(F)F)c1)C1(C(=O)[O-])CCCCC1 ZINC000386247009 1127650806 /nfs/dbraw/zinc/65/08/06/1127650806.db2.gz QJPJBGCXEIZFFW-UHFFFAOYSA-N -1 0 326.343 3.875 20 0 EHADRM CCc1cc([N-]S(=O)(=O)c2c(C)nn(C(C)C)c2C)ccc1F ZINC000671662570 1127768676 /nfs/dbraw/zinc/76/86/76/1127768676.db2.gz YJXCUDZTDCZNBK-UHFFFAOYSA-N -1 0 339.436 3.583 20 0 EHADRM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000029046606 1127793176 /nfs/dbraw/zinc/79/31/76/1127793176.db2.gz NSGXPWAOPIOBEM-UHFFFAOYSA-N -1 0 349.452 3.921 20 0 EHADRM Cc1ccc([C@@H]2CCCN2Cc2nc(=O)c3sccc3[n-]2)cc1 ZINC000030003377 1127813301 /nfs/dbraw/zinc/81/33/01/1127813301.db2.gz NHIARASWKLTZHD-HNNXBMFYSA-N -1 0 325.437 3.630 20 0 EHADRM CC[C@@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1nccs1 ZINC000078022743 1127888214 /nfs/dbraw/zinc/88/82/14/1127888214.db2.gz NTVIYZQHJMJWDO-JYMRLUDQSA-N -1 0 325.777 3.981 20 0 EHADRM O=C(Nc1cc(Br)cc(F)c1[O-])NC1CCCCC1 ZINC000169017061 1127929576 /nfs/dbraw/zinc/92/95/76/1127929576.db2.gz HMRNHOIYUSKYNJ-UHFFFAOYSA-N -1 0 331.185 3.748 20 0 EHADRM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)[C@H]1CC2CCC1CC2 ZINC001212356630 1127950808 /nfs/dbraw/zinc/95/08/08/1127950808.db2.gz ILCKRKBPBPFZQO-ZUYNKMSQSA-N -1 0 347.402 3.597 20 0 EHADRM CC(C)[C@@H](Sc1ccccc1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000347515160 1128029836 /nfs/dbraw/zinc/02/98/36/1128029836.db2.gz JWAQSVMFCOKHHF-CRAIPNDOSA-N -1 0 349.496 3.907 20 0 EHADRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C)c(F)c1 ZINC000057123478 1128037585 /nfs/dbraw/zinc/03/75/85/1128037585.db2.gz POYAWAHHRNFNCK-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c3c[nH]nc32)c(Cl)c1 ZINC000063635324 1128150093 /nfs/dbraw/zinc/15/00/93/1128150093.db2.gz ZZBQLIIMWPUFBJ-UHFFFAOYSA-N -1 0 335.816 3.634 20 0 EHADRM Cc1ccc([C@@H]2CCCN2Cc2c([O-])nnn2-c2ccccc2)cc1C ZINC000063858906 1128158822 /nfs/dbraw/zinc/15/88/22/1128158822.db2.gz JYFSFAWXMGFANY-IBGZPJMESA-N -1 0 348.450 3.927 20 0 EHADRM CCC[C@H](O)CCNC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC001649092980 1128215949 /nfs/dbraw/zinc/21/59/49/1128215949.db2.gz OYYDHIANWAFYRR-HNNXBMFYSA-N -1 0 347.842 3.994 20 0 EHADRM Cc1ccc2cccc(NC(=O)c3cc(=O)c4ccccc4[n-]3)c2n1 ZINC000066715738 1128225378 /nfs/dbraw/zinc/22/53/78/1128225378.db2.gz DGKRREZGXHNCTE-UHFFFAOYSA-N -1 0 329.359 3.637 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)[N-]S(=O)(=O)CC1CC1 ZINC000073537265 1128393241 /nfs/dbraw/zinc/39/32/41/1128393241.db2.gz SMYZKCYHXWDZPI-SECBINFHSA-N -1 0 333.862 3.517 20 0 EHADRM FC(F)(F)[C@H]1CCC[C@H](CN=c2[n-]nc(C3CCOCC3)s2)C1 ZINC000338675331 1128475660 /nfs/dbraw/zinc/47/56/60/1128475660.db2.gz DQXCXEMQPWZQBS-JQWIXIFHSA-N -1 0 349.422 3.635 20 0 EHADRM CCCCc1nc(NC(=O)c2ccc(F)c(C)c2)c(C(=O)OCC)[nH]1 ZINC001128074382 1128493542 /nfs/dbraw/zinc/49/35/42/1128493542.db2.gz UDILKHYHFSDVOU-UHFFFAOYSA-N -1 0 347.390 3.629 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cc(C)ccc2C)n(-c2ccccc2)n1 ZINC000057734526 1128662940 /nfs/dbraw/zinc/66/29/40/1128662940.db2.gz WRKMHXMUKSGXTH-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM O=S(=O)([N-]c1ccccc1N1CCCC1)c1ccc(Cl)s1 ZINC000072576988 1128727795 /nfs/dbraw/zinc/72/77/95/1128727795.db2.gz WLRBLCIENCURFS-UHFFFAOYSA-N -1 0 342.873 3.803 20 0 EHADRM Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000075082464 1128841642 /nfs/dbraw/zinc/84/16/42/1128841642.db2.gz NJDMHGFTTBQXQY-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CCC(F)(F)CNC(=O)c1cc(Cl)cc(Br)c1[O-] ZINC001648922139 1120201144 /nfs/dbraw/zinc/20/11/44/1120201144.db2.gz UBFAFCDTORJMSJ-UHFFFAOYSA-N -1 0 342.567 3.583 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCC(F)(F)F)c1ccc2ccccc2c1 ZINC000263188384 1120253825 /nfs/dbraw/zinc/25/38/25/1120253825.db2.gz XNNCBNGSOCQDQP-AWEZNQCLSA-N -1 0 339.313 3.814 20 0 EHADRM CC[C@H](NCc1cc(Cl)sc1Cl)c1nc(C(=O)[O-])c[nH]1 ZINC000904065957 1120351456 /nfs/dbraw/zinc/35/14/56/1120351456.db2.gz WQMFOTQZYDRZJU-ZETCQYMHSA-N -1 0 334.228 3.717 20 0 EHADRM COc1cc(C)c([N-]S(=O)(=O)c2cc(F)c(C)cc2F)cc1F ZINC000187070175 1120485361 /nfs/dbraw/zinc/48/53/61/1120485361.db2.gz MJFUEFVMXLGNPX-UHFFFAOYSA-N -1 0 345.342 3.530 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c(O)c1 ZINC000189233641 1120564565 /nfs/dbraw/zinc/56/45/65/1120564565.db2.gz RYQSLPCJBGSNTN-UHFFFAOYSA-N -1 0 345.342 3.606 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(Cl)cc2)cnn1-c1ccccc1 ZINC000152589971 1120740403 /nfs/dbraw/zinc/74/04/03/1120740403.db2.gz HGJOKEYNBAOADY-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM O=C(Nc1cccc(Cl)c1SCC(F)F)c1csnn1 ZINC000076649018 1128937892 /nfs/dbraw/zinc/93/78/92/1128937892.db2.gz HLENWHWUIZGFSP-UHFFFAOYSA-N -1 0 335.788 3.801 20 0 EHADRM O=S(=O)([N-]c1cc(-c2ccc(Cl)s2)on1)c1cccs1 ZINC000193132943 1120760352 /nfs/dbraw/zinc/76/03/52/1120760352.db2.gz JSTWNNKOVRCFOL-UHFFFAOYSA-N -1 0 346.842 3.919 20 0 EHADRM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000195439553 1120784374 /nfs/dbraw/zinc/78/43/74/1120784374.db2.gz OIPYBWRYQARGAZ-UHFFFAOYSA-N -1 0 331.315 3.536 20 0 EHADRM CCOc1cc(F)c(-c2ccc(F)c(C(=O)[O-])c2F)cc1OC ZINC001205121102 1120969578 /nfs/dbraw/zinc/96/95/78/1120969578.db2.gz JLBAPYCBFRUFDK-UHFFFAOYSA-N -1 0 326.270 3.876 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)Nc1ccc(S(=O)(=O)[O-])cc1 ZINC000240661808 1120988900 /nfs/dbraw/zinc/98/89/00/1120988900.db2.gz AIFPWBIQXVLHDQ-UHFFFAOYSA-N -1 0 348.424 3.875 20 0 EHADRM COC1CCC(CCN=c2[n-]nc(Cc3ccc(F)cc3)s2)CC1 ZINC000542550093 1121074823 /nfs/dbraw/zinc/07/48/23/1121074823.db2.gz DUOANWYZRWQOQE-UHFFFAOYSA-N -1 0 349.475 3.697 20 0 EHADRM [O-]c1c(Cl)cccc1-c1nc(-c2cccc(-n3ccnc3)c2)no1 ZINC000762078563 1121095517 /nfs/dbraw/zinc/09/55/17/1121095517.db2.gz GCFBRZJFVZZXCQ-UHFFFAOYSA-N -1 0 338.754 3.948 20 0 EHADRM COc1cccc(C(F)(F)F)c1CNc1cnc(C(=O)[O-])c(C)c1 ZINC001168492205 1121380389 /nfs/dbraw/zinc/38/03/89/1121380389.db2.gz WTDRPJNXPDZPGO-UHFFFAOYSA-N -1 0 340.301 3.728 20 0 EHADRM CC[C@@H](CC(=O)Nc1ccccc1-n1ccc(C(=O)[O-])n1)C(C)C ZINC000236935269 1121469397 /nfs/dbraw/zinc/46/93/97/1121469397.db2.gz YKBLYHREFYAXRE-ZDUSSCGKSA-N -1 0 329.400 3.581 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)/C=C/c2ccc(C)o2)cc1 ZINC000237360390 1121480714 /nfs/dbraw/zinc/48/07/14/1121480714.db2.gz OIBBYUZEZIWJSZ-JCVNQNCUSA-N -1 0 345.420 3.655 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)/C=C/c2cc3ccccc3o2)C1 ZINC000237965354 1121499174 /nfs/dbraw/zinc/49/91/74/1121499174.db2.gz AXSINVMYGPPDPR-VFNNOXKTSA-N -1 0 327.380 3.549 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)CSc2ccc3c(c2)CCC3)c1 ZINC000238145519 1121503421 /nfs/dbraw/zinc/50/34/21/1121503421.db2.gz TYHCVFHWSMXXIZ-UHFFFAOYSA-N -1 0 345.395 3.743 20 0 EHADRM CCN(CC(=O)Nc1ccc2[n-]c(=S)oc2c1)c1ccccc1 ZINC000762968455 1121619480 /nfs/dbraw/zinc/61/94/80/1121619480.db2.gz ZKUPXEIGXBNWDU-UHFFFAOYSA-N -1 0 327.409 3.582 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ncc[nH]2)cc1)c1ccc(Cl)s1 ZINC000170033866 1121721791 /nfs/dbraw/zinc/72/17/91/1121721791.db2.gz ITXGOTDLYMKEEK-UHFFFAOYSA-N -1 0 339.829 3.592 20 0 EHADRM CCOC(=O)c1cnc(C(C)=Cc2cccc(OC(C)C)c2)[nH]c1=O ZINC000347450585 1121773618 /nfs/dbraw/zinc/77/36/18/1121773618.db2.gz SFEFFOZRGAISOA-LCYFTJDESA-N -1 0 342.395 3.707 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2cccc(N3CCCC3)c2)CCCC1 ZINC000324579062 1121938793 /nfs/dbraw/zinc/93/87/93/1121938793.db2.gz WMVREJIVVFURRY-UHFFFAOYSA-N -1 0 330.428 3.651 20 0 EHADRM O=C(c1c(F)ccc(O)c1F)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000496673763 1122152162 /nfs/dbraw/zinc/15/21/62/1122152162.db2.gz YJDLEDOKVUPETN-LLVKDONJSA-N -1 0 337.753 3.954 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C)sc1Br ZINC000080923327 1122236401 /nfs/dbraw/zinc/23/64/01/1122236401.db2.gz YFGVKUGSNAIPDN-UHFFFAOYSA-N -1 0 346.271 3.928 20 0 EHADRM CCc1cc(=O)[nH]c(CS[C@H](C)c2nc(-c3cccs3)no2)n1 ZINC000125697385 1122325445 /nfs/dbraw/zinc/32/54/45/1122325445.db2.gz HPFQTGBQZPGZSL-SECBINFHSA-N -1 0 348.453 3.851 20 0 EHADRM Fc1ccc(C2(CN=c3[n-]nc(C(F)F)s3)CC2)c(Cl)c1 ZINC000497548772 1122582105 /nfs/dbraw/zinc/58/21/05/1122582105.db2.gz GAFUIDQPCAHZFR-UHFFFAOYSA-N -1 0 333.766 3.834 20 0 EHADRM CCc1noc(-c2ccc(C)c(NC(=O)c3c([O-])cccc3F)c2)n1 ZINC000128636029 1122639523 /nfs/dbraw/zinc/63/95/23/1122639523.db2.gz JRMQBIDTLRXFQQ-UHFFFAOYSA-N -1 0 341.342 3.704 20 0 EHADRM C[C@@H]1CCc2c(sc3[nH]c(-c4ccc([O-])c(F)c4)nc(=O)c23)C1 ZINC000128636362 1122639604 /nfs/dbraw/zinc/63/96/04/1122639604.db2.gz BRELDAAKHJSAGV-MRVPVSSYSA-N -1 0 330.384 3.621 20 0 EHADRM O=C(Nc1cc(N2CCCC2=O)ccc1F)c1ccc(Cl)cc1[O-] ZINC000917796673 1122685061 /nfs/dbraw/zinc/68/50/61/1122685061.db2.gz KWHNRNXLYPEEQA-UHFFFAOYSA-N -1 0 348.761 3.564 20 0 EHADRM COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cc(C)ccc1Cl ZINC000498014724 1122726366 /nfs/dbraw/zinc/72/63/66/1122726366.db2.gz FIPXHQALPGCDCT-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)Nc2ccc(-c3nccs3)cc2)CC1 ZINC000262700195 1122735544 /nfs/dbraw/zinc/73/55/44/1122735544.db2.gz HQHHXTOVSZXYRZ-AULYBMBSSA-N -1 0 330.409 3.640 20 0 EHADRM COc1cc(C(=O)[O-])cc(NCc2ccc(F)cc2Cl)c1OC ZINC000556321562 1122925817 /nfs/dbraw/zinc/92/58/17/1122925817.db2.gz CRCWRZHXXVGBSY-UHFFFAOYSA-N -1 0 339.750 3.807 20 0 EHADRM COc1cc(Br)ccc1CNc1cccc(C(=O)[O-])c1 ZINC000556322722 1122928755 /nfs/dbraw/zinc/92/87/55/1122928755.db2.gz YBHZTTKCBWMYPK-UHFFFAOYSA-N -1 0 336.185 3.768 20 0 EHADRM CC(C)(C)Cc1n[n-]c(=NCc2c(F)cccc2OC(F)(F)F)o1 ZINC000556329316 1122931348 /nfs/dbraw/zinc/93/13/48/1122931348.db2.gz NIJGWIHGJDMGHU-UHFFFAOYSA-N -1 0 347.312 3.730 20 0 EHADRM CN(CCC(=O)[O-])C(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 ZINC000262916448 1123093648 /nfs/dbraw/zinc/09/36/48/1123093648.db2.gz UELHHUKYYQQOFI-UHFFFAOYSA-N -1 0 329.396 3.791 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1cc(Cl)ccc1C ZINC000556800407 1123128947 /nfs/dbraw/zinc/12/89/47/1123128947.db2.gz DVZZTBJQHMVAGS-UHFFFAOYSA-N -1 0 342.786 3.700 20 0 EHADRM Clc1cccc([C@@H]2CC[C@H](N=c3[n-]c(C4CCOCC4)no3)C2)c1 ZINC000556846882 1123152547 /nfs/dbraw/zinc/15/25/47/1123152547.db2.gz WKCKFGSSVNFVJA-ZBFHGGJFSA-N -1 0 347.846 3.787 20 0 EHADRM C[C@H]1CN(C(=O)c2cccc(Br)c2[O-])c2ccccc21 ZINC000556953885 1123232569 /nfs/dbraw/zinc/23/25/69/1123232569.db2.gz OPXCNCUUGXJPLU-JTQLQIEISA-N -1 0 332.197 3.919 20 0 EHADRM CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000920012801 1123260322 /nfs/dbraw/zinc/26/03/22/1123260322.db2.gz CCLPEDSWPMRGQQ-UHFFFAOYSA-N -1 0 346.814 3.780 20 0 EHADRM Cc1cc2cccnc2c([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000132790091 1123300915 /nfs/dbraw/zinc/30/09/15/1123300915.db2.gz MQSJHYKLHRUIHE-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM C[C@@H]1CCCC[C@H]1CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000920789115 1123423741 /nfs/dbraw/zinc/42/37/41/1123423741.db2.gz SGPSWWPTPFWJKH-ZBFHGGJFSA-N -1 0 349.496 3.587 20 0 EHADRM CC[C@H](NC(=O)CC1(C(=O)[O-])CCCCC1)c1ccc(OC)cc1 ZINC000013467974 1129125512 /nfs/dbraw/zinc/12/55/12/1129125512.db2.gz FIRAGPSFNXHLAF-INIZCTEOSA-N -1 0 333.428 3.688 20 0 EHADRM CC[C@@H](NC(=O)C[C@H](C(=O)[O-])c1ccccc1)c1ccc(OC)cc1 ZINC000013467979 1129125591 /nfs/dbraw/zinc/12/55/91/1129125591.db2.gz ARFDSXOLMFIWBC-ZWKOTPCHSA-N -1 0 341.407 3.521 20 0 EHADRM Cc1nc([C@H](C)NC(=O)c2cc3cc(F)ccc3o2)sc1C(=O)[O-] ZINC000237474075 1123520676 /nfs/dbraw/zinc/52/06/76/1123520676.db2.gz VBJMAOLDOADWHT-QMMMGPOBSA-N -1 0 348.355 3.526 20 0 EHADRM Cc1cc2[nH]c(C(=O)Nc3cc(C(=O)[O-])ccc3F)cc2c(C)c1 ZINC000237623316 1123527987 /nfs/dbraw/zinc/52/79/87/1123527987.db2.gz ALKHRXDIJLUDLM-UHFFFAOYSA-N -1 0 326.327 3.874 20 0 EHADRM O=C(c1c([O-])cc(F)cc1F)N1CCC(Cc2cccc(F)c2)CC1 ZINC000066047099 1129127765 /nfs/dbraw/zinc/12/77/65/1129127765.db2.gz TURLLEAVYSMHII-UHFFFAOYSA-N -1 0 349.352 3.904 20 0 EHADRM Cn1c(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])ccc1-c1ccccc1 ZINC000237711157 1123824057 /nfs/dbraw/zinc/82/40/57/1123824057.db2.gz XMXFEQMUIRVSLJ-MRXNPFEDSA-N -1 0 340.423 3.552 20 0 EHADRM CCC[C@@H](NC(=O)N=c1[n-]nc(C(C)(C)C)s1)c1ccccc1 ZINC000615567739 1123827426 /nfs/dbraw/zinc/82/74/26/1123827426.db2.gz XEZCKROMIYJTJA-CYBMUJFWSA-N -1 0 332.473 3.920 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)N[C@H](c2cccs2)C2CC2)s1 ZINC000615567792 1123827917 /nfs/dbraw/zinc/82/79/17/1123827917.db2.gz ZMFOGRITPKARBC-NSHDSACASA-N -1 0 336.486 3.592 20 0 EHADRM Cc1ccccc1-n1cc(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)cn1 ZINC000237734445 1123832741 /nfs/dbraw/zinc/83/27/41/1123832741.db2.gz XSBFKJOFUOPTKC-DHZHZOJOSA-N -1 0 347.374 3.531 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)nn1-c1ccccc1 ZINC000237783831 1123859277 /nfs/dbraw/zinc/85/92/77/1123859277.db2.gz CIOQDNXTWDYGKW-FMIVXFBMSA-N -1 0 347.374 3.531 20 0 EHADRM Cc1ccc2c(CC(=O)NCCCCCCCC(=O)[O-])coc2c1 ZINC000237820959 1123872754 /nfs/dbraw/zinc/87/27/54/1123872754.db2.gz VXDPSRJLZMKTAC-UHFFFAOYSA-N -1 0 331.412 3.825 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)CCCc1ccc(Cl)cc1 ZINC000237922062 1123912553 /nfs/dbraw/zinc/91/25/53/1123912553.db2.gz BNDNVJMGRCBJSX-INIZCTEOSA-N -1 0 337.847 3.909 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)c2ccccc2OCC2CC2)cc1 ZINC000237953105 1123920081 /nfs/dbraw/zinc/92/00/81/1123920081.db2.gz MJRUBWNMGJHVRK-FMIVXFBMSA-N -1 0 337.375 3.826 20 0 EHADRM O=S(=O)([N-]c1nc(Cl)ccc1Cl)c1ccc(Cl)s1 ZINC000180277892 1123975375 /nfs/dbraw/zinc/97/53/75/1123975375.db2.gz CRBBSNMYVRUFBH-UHFFFAOYSA-N -1 0 343.644 3.904 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000238099669 1123979419 /nfs/dbraw/zinc/97/94/19/1123979419.db2.gz DAZIYTMUKMWVME-JKSUJKDBSA-N -1 0 337.847 3.985 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)C2(c3ccc(F)cc3)CCC2)cc1 ZINC000238153230 1123993071 /nfs/dbraw/zinc/99/30/71/1123993071.db2.gz ZHOXHMKDJFELSJ-NYYWCZLTSA-N -1 0 339.366 3.984 20 0 EHADRM CC(C)c1occc1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000263538059 1124031460 /nfs/dbraw/zinc/03/14/60/1124031460.db2.gz PMEVBMKEHLAPSW-UHFFFAOYSA-N -1 0 331.368 3.899 20 0 EHADRM CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](C)CCC(=O)[O-] ZINC000263551294 1124081983 /nfs/dbraw/zinc/08/19/83/1124081983.db2.gz WODAHEQMNXCHGA-WCQYABFASA-N -1 0 345.361 3.644 20 0 EHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 ZINC000263557891 1124460180 /nfs/dbraw/zinc/46/01/80/1124460180.db2.gz ZRSGESWIDXWMRM-DZGCQCFKSA-N -1 0 349.324 3.722 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)OCCC(C)C)cc1 ZINC000069283529 1124620230 /nfs/dbraw/zinc/62/02/30/1124620230.db2.gz XOLBSKVXRDWRTK-CQSZACIVSA-N -1 0 341.473 3.736 20 0 EHADRM N#C/C(=C\c1ccccc1OCC(=O)[O-])C(=O)c1ccc(Cl)s1 ZINC000181297620 1124737793 /nfs/dbraw/zinc/73/77/93/1124737793.db2.gz KTKYONQBZVKICS-YRNVUSSQSA-N -1 0 347.779 3.655 20 0 EHADRM O=C([N-]c1nc(C2CC2)no1)c1cc(-c2ccccc2Cl)on1 ZINC000734875029 1131286182 /nfs/dbraw/zinc/28/61/82/1131286182.db2.gz QGVWDDSPLROHRV-UHFFFAOYSA-N -1 0 330.731 3.508 20 0 EHADRM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)/C=C\C(C)(C)C ZINC000735203245 1131316834 /nfs/dbraw/zinc/31/68/34/1131316834.db2.gz OKLAUPJXIRDLNI-KHPPLWFESA-N -1 0 337.485 3.700 20 0 EHADRM CC(C)(C)/C=C\C(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000735216637 1131322301 /nfs/dbraw/zinc/32/23/01/1131322301.db2.gz NNBONRSKOYUALQ-YPKPFQOOSA-N -1 0 343.448 3.761 20 0 EHADRM CC(C)Cc1nc(=NC(=O)c2cc(C(F)(F)F)ccc2F)s[n-]1 ZINC000618348574 1125058174 /nfs/dbraw/zinc/05/81/74/1125058174.db2.gz SKMIKSCPLFLPAI-UHFFFAOYSA-N -1 0 347.337 3.569 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC000181882286 1125076610 /nfs/dbraw/zinc/07/66/10/1125076610.db2.gz FORYUAJNZSRDQF-KSSFIOAISA-N -1 0 343.398 3.645 20 0 EHADRM Cc1ccc(NC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])cc1F ZINC000618489371 1125095827 /nfs/dbraw/zinc/09/58/27/1125095827.db2.gz MAFYRZIXRYHALF-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000070031346 1125164261 /nfs/dbraw/zinc/16/42/61/1125164261.db2.gz VVZZWBNBBNFXRF-CYBMUJFWSA-N -1 0 342.420 3.570 20 0 EHADRM O=c1c2c([n-]n1-c1ccc(Br)cc1Cl)CCSC2 ZINC000634601146 1125183065 /nfs/dbraw/zinc/18/30/65/1125183065.db2.gz DMNNBVZWBSBOHJ-QMMMGPOBSA-N -1 0 345.649 3.558 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)ccc1O ZINC000182476461 1125312915 /nfs/dbraw/zinc/31/29/15/1125312915.db2.gz UNXLVLISHFCNQV-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000261895438 1125389445 /nfs/dbraw/zinc/38/94/45/1125389445.db2.gz OGSYTAXXZAMZMK-VXGBXAGGSA-N -1 0 329.318 3.621 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000262135834 1125408203 /nfs/dbraw/zinc/40/82/03/1125408203.db2.gz DLVYTIHJKCEDEA-OAQYLSRUSA-N -1 0 337.419 3.927 20 0 EHADRM CC(C)[C@H](O)[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000619911230 1125430731 /nfs/dbraw/zinc/43/07/31/1125430731.db2.gz MKBBIDVQDUWKCN-IRXDYDNUSA-N -1 0 333.815 3.534 20 0 EHADRM Cc1ccc2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2n1 ZINC000066587592 1129189184 /nfs/dbraw/zinc/18/91/84/1129189184.db2.gz HMCWPFWCWUSFCQ-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM CCOc1cc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)ccc1C ZINC000066965915 1129229837 /nfs/dbraw/zinc/22/98/37/1129229837.db2.gz KINOTVYQKXADFP-INIZCTEOSA-N -1 0 327.380 3.591 20 0 EHADRM CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000314389208 1129256890 /nfs/dbraw/zinc/25/68/90/1129256890.db2.gz VLSOXNWINAYEEW-CHWSQXEVSA-N -1 0 342.222 3.619 20 0 EHADRM COCc1n[n-]c(=N[C@@H](C)[C@H](C)c2ccccc2C(F)(F)F)s1 ZINC000499660416 1129273334 /nfs/dbraw/zinc/27/33/34/1129273334.db2.gz YIKCGYQTNCHWGP-UWVGGRQHSA-N -1 0 345.390 3.729 20 0 EHADRM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)[C@@H]1CCCc2ccccc21 ZINC000068297235 1129359450 /nfs/dbraw/zinc/35/94/50/1129359450.db2.gz AUEGNSJPLXFVLW-MRXNPFEDSA-N -1 0 335.363 3.501 20 0 EHADRM CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000466352135 1129398272 /nfs/dbraw/zinc/39/82/72/1129398272.db2.gz GNTKNKHHPKXQJV-UHFFFAOYSA-N -1 0 347.436 3.525 20 0 EHADRM CC(C)C[C@H](NC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)[O-] ZINC000316669101 1129405260 /nfs/dbraw/zinc/40/52/60/1129405260.db2.gz TUVFOSVUFFFSSI-JTQLQIEISA-N -1 0 343.807 3.923 20 0 EHADRM Cc1ccc(OC2CCN(C(=O)c3c([O-])cc(F)cc3F)CC2)cc1 ZINC000116980947 1129407108 /nfs/dbraw/zinc/40/71/08/1129407108.db2.gz OATYKLAJIVTQLC-UHFFFAOYSA-N -1 0 347.361 3.662 20 0 EHADRM CC(C)CCO[C@@H]1CCN(C(=O)c2ccc3ccccc3c2O)C1 ZINC000081604416 1129432163 /nfs/dbraw/zinc/43/21/63/1129432163.db2.gz VDXBWJJJZFSLBB-MRXNPFEDSA-N -1 0 327.424 3.823 20 0 EHADRM O=C(N=c1ncn(C2CCCCC2)[n-]1)c1ccc(-c2cccs2)o1 ZINC000543369239 1129437812 /nfs/dbraw/zinc/43/78/12/1129437812.db2.gz WGTYZWJFISIEHX-UHFFFAOYSA-N -1 0 342.424 3.779 20 0 EHADRM O=S(=O)([N-]c1nccc2sccc21)c1ccc2c(c1)CCCC2 ZINC000543446786 1129491890 /nfs/dbraw/zinc/49/18/90/1129491890.db2.gz LNKQGZPKZJUCFY-UHFFFAOYSA-N -1 0 344.461 3.976 20 0 EHADRM CN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2cccc(O)c2)C1 ZINC000013339465 1129517406 /nfs/dbraw/zinc/51/74/06/1129517406.db2.gz CSQLZECORAOGMQ-NTEUORMPSA-N -1 0 346.386 3.625 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)[C@@H]1CC[C@@H]3CCCC[C@H]3C1)C2 ZINC000328054379 1129546093 /nfs/dbraw/zinc/54/60/93/1129546093.db2.gz HVMUTHWWNOFOTO-HRCADAONSA-N -1 0 341.451 3.876 20 0 EHADRM O=C(N[C@H]1CCc2cc(F)ccc21)c1ccc2[n-]c(=S)oc2c1 ZINC000735852602 1131385664 /nfs/dbraw/zinc/38/56/64/1131385664.db2.gz JSWNMVMDPJLZBY-ZDUSSCGKSA-N -1 0 328.368 3.673 20 0 EHADRM N#Cc1ccc(N2CCC[C@H](CCC(=O)[O-])C2)cc1C(F)(F)F ZINC000390697229 1129629677 /nfs/dbraw/zinc/62/96/77/1129629677.db2.gz RZXWIMYJUOEAEK-LLVKDONJSA-N -1 0 326.318 3.658 20 0 EHADRM CSc1cc(Br)ccc1CN=c1[n-]c(C(C)C)no1 ZINC000347762009 1129697923 /nfs/dbraw/zinc/69/79/23/1129697923.db2.gz WDARGSGFFUNXDK-UHFFFAOYSA-N -1 0 342.262 3.711 20 0 EHADRM O=C(OCc1ccccc1Br)c1c(F)cc([O-])cc1F ZINC000735951433 1131393619 /nfs/dbraw/zinc/39/36/19/1131393619.db2.gz YATDAPNLLKZSMJ-UHFFFAOYSA-N -1 0 343.123 3.790 20 0 EHADRM Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)c1 ZINC000509080992 1129728311 /nfs/dbraw/zinc/72/83/11/1129728311.db2.gz JEJHYRYIVGGLMC-UHFFFAOYSA-N -1 0 345.342 3.829 20 0 EHADRM CCC(CC)c1n[n-]c(=NCc2c[nH]nc2-c2cccs2)s1 ZINC000347816624 1129872696 /nfs/dbraw/zinc/87/26/96/1129872696.db2.gz OIWJMRQUUAITPP-UHFFFAOYSA-N -1 0 333.486 3.927 20 0 EHADRM Cc1cc(Nc2ccc(C(=O)[O-])c(F)c2F)cnc1Br ZINC001212511073 1129875000 /nfs/dbraw/zinc/87/50/00/1129875000.db2.gz QTTJZKCNGIRTJK-UHFFFAOYSA-N -1 0 343.127 3.873 20 0 EHADRM Brc1cc(CN=c2[n-]nc(C3CCCCC3)o2)cs1 ZINC000347818744 1129877514 /nfs/dbraw/zinc/87/75/14/1129877514.db2.gz PURRGPOUKHWOLY-UHFFFAOYSA-N -1 0 342.262 3.975 20 0 EHADRM CCOC(=O)c1ccc(C)c(Nc2ccc(C(=O)[O-])c(F)c2F)c1 ZINC001212514332 1129925260 /nfs/dbraw/zinc/92/52/60/1129925260.db2.gz NQKNKKPTXHRCAX-UHFFFAOYSA-N -1 0 335.306 3.892 20 0 EHADRM Cc1cn(-c2ccc(Nc3ccc(C(=O)[O-])c(F)c3F)cc2)cn1 ZINC001212513472 1129925437 /nfs/dbraw/zinc/92/54/37/1129925437.db2.gz RTLXTUKLWFLBIY-UHFFFAOYSA-N -1 0 329.306 3.901 20 0 EHADRM COC(=O)c1c(C)c(Nc2ccc(C(=O)[O-])c(F)c2F)ccc1F ZINC001212515012 1129928960 /nfs/dbraw/zinc/92/89/60/1129928960.db2.gz OLNPEBJBESWGDM-UHFFFAOYSA-N -1 0 339.269 3.641 20 0 EHADRM Cc1c(F)cccc1-c1ccc(CN=c2[n-]nc([C@@H]3CCCO3)o2)o1 ZINC000347886149 1129980539 /nfs/dbraw/zinc/98/05/39/1129980539.db2.gz RQIBSBGHCWZGTF-INIZCTEOSA-N -1 0 343.358 3.663 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000466622954 1129983259 /nfs/dbraw/zinc/98/32/59/1129983259.db2.gz KNQFXLDVAUTQKM-CQSZACIVSA-N -1 0 335.382 3.522 20 0 EHADRM CCN(CC)c1ncc(CN=c2[n-]nc(CC3CCCCC3)o2)s1 ZINC000347892192 1129991853 /nfs/dbraw/zinc/99/18/53/1129991853.db2.gz ZILPOJWZJBUSSQ-UHFFFAOYSA-N -1 0 349.504 3.529 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)c1O ZINC000674755286 1130188565 /nfs/dbraw/zinc/18/85/65/1130188565.db2.gz VMFIXPHNZFBVRB-UHFFFAOYSA-N -1 0 345.342 3.829 20 0 EHADRM CCOC(=O)c1cnc(NC(=O)c2sc3cc(F)ccc3c2C)[n-]1 ZINC001128946463 1130260118 /nfs/dbraw/zinc/26/01/18/1130260118.db2.gz QBWPQDJLMSIAHM-UHFFFAOYSA-N -1 0 347.371 3.501 20 0 EHADRM O=C([O-])CCN(CC1CC1)C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000675971210 1130512004 /nfs/dbraw/zinc/51/20/04/1130512004.db2.gz POWJYMMWMJJEHP-UHFFFAOYSA-N -1 0 339.391 3.806 20 0 EHADRM CC(C)(C)c1ccc2cc(C(=O)N(CCC(=O)[O-])CC3CC3)[nH]c2c1 ZINC000675972512 1130512114 /nfs/dbraw/zinc/51/21/14/1130512114.db2.gz JNXQFYSFCATITJ-UHFFFAOYSA-N -1 0 342.439 3.792 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc3c(cccc3F)[nH]2)ccc1Cl ZINC000676002709 1130516286 /nfs/dbraw/zinc/51/62/86/1130516286.db2.gz VHHLDTMTYJHEJD-UHFFFAOYSA-N -1 0 332.718 3.911 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCCO[C@@H](c2ccccc2)C1 ZINC000676141894 1130538771 /nfs/dbraw/zinc/53/87/71/1130538771.db2.gz SMCGWYWQDONMEZ-MRXNPFEDSA-N -1 0 349.789 3.789 20 0 EHADRM CC(C)[C@H](Sc1ccccc1)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000676214559 1130549153 /nfs/dbraw/zinc/54/91/53/1130549153.db2.gz HIDBWMNIFFSDKL-PBHICJAKSA-N -1 0 335.469 3.517 20 0 EHADRM O=S(=O)(C=C([O-])c1csc2ccccc12)c1ccccc1F ZINC001166853169 1130663370 /nfs/dbraw/zinc/66/33/70/1130663370.db2.gz KEQNLDQVYAGZKP-UHFFFAOYSA-N -1 0 334.393 3.697 20 0 EHADRM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)CC1=CCCCC1 ZINC000730393770 1130704791 /nfs/dbraw/zinc/70/47/91/1130704791.db2.gz PVDVIXKHNGLERH-UHFFFAOYSA-N -1 0 349.496 3.988 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1n[n-]c2ccccc2c1=O)c1ccccc1 ZINC000731869617 1130856571 /nfs/dbraw/zinc/85/65/71/1130856571.db2.gz UCGDXTODSNLYID-MRXNPFEDSA-N -1 0 335.407 3.505 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)c1n[n-]c2ccccc2c1=O ZINC000731896376 1130858080 /nfs/dbraw/zinc/85/80/80/1130858080.db2.gz HQIACIUXWLGEEL-GFCCVEGCSA-N -1 0 347.374 3.881 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC000347990638 1131112336 /nfs/dbraw/zinc/11/23/36/1131112336.db2.gz FQOZMOADPVOXEH-ZDUSSCGKSA-N -1 0 337.485 3.834 20 0 EHADRM CCc1n[n-]c(=NC(=O)N2C[C@@H](C)CC[C@@H]2c2ccccc2)s1 ZINC000348089344 1131148243 /nfs/dbraw/zinc/14/82/43/1131148243.db2.gz UZSODAKSCJMQDN-GXTWGEPZSA-N -1 0 330.457 3.528 20 0 EHADRM CCc1n[n-]c(=NC(=O)N2C[C@H](C)CC[C@H]2c2ccccc2)s1 ZINC000348089346 1131148257 /nfs/dbraw/zinc/14/82/57/1131148257.db2.gz UZSODAKSCJMQDN-OCCSQVGLSA-N -1 0 330.457 3.528 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000734080800 1131193914 /nfs/dbraw/zinc/19/39/14/1131193914.db2.gz ZNKNJVAIWNAOMY-CYBMUJFWSA-N -1 0 343.876 3.751 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000734079605 1131194078 /nfs/dbraw/zinc/19/40/78/1131194078.db2.gz SCYKQYNTDYPCPU-HNNXBMFYSA-N -1 0 349.496 3.587 20 0 EHADRM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(C(C)(C)C)cc1 ZINC000737354029 1131447808 /nfs/dbraw/zinc/44/78/08/1131447808.db2.gz LINJOCRSHBGEDD-CQSZACIVSA-N -1 0 345.464 3.805 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)C[C@H](C)c1ccc(C(C)C)cc1 ZINC000739186246 1131493097 /nfs/dbraw/zinc/49/30/97/1131493097.db2.gz KYUFJDNLPYHTFR-AWEZNQCLSA-N -1 0 339.501 3.938 20 0 EHADRM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)CCC(C)(C)C ZINC000739138476 1131493382 /nfs/dbraw/zinc/49/33/82/1131493382.db2.gz SSUJZHYLOHEYCY-UHFFFAOYSA-N -1 0 339.501 3.924 20 0 EHADRM CCC(CC)CS(=O)(=O)[N-]C(=O)[C@@H](CC(C)C)c1ccccc1 ZINC000741118044 1131578391 /nfs/dbraw/zinc/57/83/91/1131578391.db2.gz CKTUWBZTEZFVHI-KRWDZBQOSA-N -1 0 339.501 3.699 20 0 EHADRM CCCCS(=O)(=O)[N-]C(=O)c1ccccc1SCC=C(C)C ZINC000741428583 1131602925 /nfs/dbraw/zinc/60/29/25/1131602925.db2.gz POKVXBCIYKJBFN-UHFFFAOYSA-N -1 0 341.498 3.605 20 0 EHADRM CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000744003948 1132007980 /nfs/dbraw/zinc/00/79/80/1132007980.db2.gz SLNXPNHBBXLAFM-CYBMUJFWSA-N -1 0 325.474 3.715 20 0 EHADRM O=C([N-]S(=O)(=O)C1=Cc2ccccc2CC1)C1CCCCCCC1 ZINC000744079129 1132016800 /nfs/dbraw/zinc/01/68/00/1132016800.db2.gz JIACEYLJGASMSA-UHFFFAOYSA-N -1 0 347.480 3.780 20 0 EHADRM Cc1ccccc1Nc1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1 ZINC001173817639 1132144761 /nfs/dbraw/zinc/14/47/61/1132144761.db2.gz QGAMIRSPHZCLFF-UHFFFAOYSA-N -1 0 329.377 3.844 20 0 EHADRM Cc1cc(S(=O)(=O)[O-])c(Nc2ccc3n[nH]cc3c2)cc1Cl ZINC001174271983 1132307621 /nfs/dbraw/zinc/30/76/21/1132307621.db2.gz CQYJFMLOPBUGMW-UHFFFAOYSA-N -1 0 337.788 3.515 20 0 EHADRM O=S(=O)([O-])c1cccc2cc(Nc3ccc4n[nH]cc4c3)ccc21 ZINC001174271919 1132307597 /nfs/dbraw/zinc/30/75/97/1132307597.db2.gz BIAPKEGYEIRGOH-UHFFFAOYSA-N -1 0 339.376 3.706 20 0 EHADRM Cc1cc(C)c(Nc2ccc(C(F)(F)F)nc2)c(S(=O)(=O)[O-])c1 ZINC001174313112 1132314349 /nfs/dbraw/zinc/31/43/49/1132314349.db2.gz NAEHDVVKHLXORO-UHFFFAOYSA-N -1 0 346.330 3.708 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2cccc3n[nH]cc32)c2ccccc21 ZINC001174345472 1132325657 /nfs/dbraw/zinc/32/56/57/1132325657.db2.gz CGHUBJIRYHDBRC-UHFFFAOYSA-N -1 0 339.376 3.706 20 0 EHADRM Cc1cc(C)c(Nc2cccc(C(C)(C)O)c2)c(S(=O)(=O)[O-])c1 ZINC001174407027 1132365142 /nfs/dbraw/zinc/36/51/42/1132365142.db2.gz IKOQSYZUFAWBBC-UHFFFAOYSA-N -1 0 335.425 3.521 20 0 EHADRM CC(C)(O)c1cccc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])c1 ZINC001174406634 1132365439 /nfs/dbraw/zinc/36/54/39/1132365439.db2.gz GAZFRHMVVQSHCR-UHFFFAOYSA-N -1 0 341.816 3.558 20 0 EHADRM CC(C)S(=O)(=O)c1ccc(Nc2cccc(/C=C/C(=O)[O-])c2)cc1 ZINC001174496402 1132371693 /nfs/dbraw/zinc/37/16/93/1132371693.db2.gz KMXJOHJYKFBDFB-IZZDOVSWSA-N -1 0 345.420 3.710 20 0 EHADRM CC(C)(C)c1cc2ncc(Nc3cccc(/C=C/C(=O)[O-])c3)cn2n1 ZINC001174495897 1132371701 /nfs/dbraw/zinc/37/17/01/1132371701.db2.gz VMVXXQWFSUFFJP-BQYQJAHWSA-N -1 0 336.395 3.868 20 0 EHADRM CC1(C)Oc2cc(Nc3cccc(/C=C/C(=O)[O-])c3)ccc2NC1=O ZINC001174496304 1132371777 /nfs/dbraw/zinc/37/17/77/1132371777.db2.gz JRCPHHWDOYDWPK-RMKNXTFCSA-N -1 0 338.363 3.638 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2ccc3c(c2)CN(C2CC2)C3=O)c1 ZINC001174497075 1132372619 /nfs/dbraw/zinc/37/26/19/1132372619.db2.gz CZQUUICIJPRFRK-RUDMXATFSA-N -1 0 334.375 3.646 20 0 EHADRM COC(=O)c1cc(F)c(C)c(Nc2cccc(/C=C/C(=O)[O-])c2)c1 ZINC001174497431 1132372939 /nfs/dbraw/zinc/37/29/39/1132372939.db2.gz RGLBLSCAYNOOBI-VOTSOKGWSA-N -1 0 329.327 3.762 20 0 EHADRM COCCOc1cccc(F)c1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174497209 1132373136 /nfs/dbraw/zinc/37/31/36/1132373136.db2.gz KMCZALASZDHZIU-CMDGGOBGSA-N -1 0 331.343 3.692 20 0 EHADRM CCOC(=O)Cc1cccc(Nc2cccc(/C=C/C(=O)[O-])c2)c1 ZINC001174497313 1132373281 /nfs/dbraw/zinc/37/32/81/1132373281.db2.gz MKKZXTOOUZVTBM-MDZDMXLPSA-N -1 0 325.364 3.634 20 0 EHADRM COC(=O)c1cc(Cl)cc(Nc2cccc(/C=C/C(=O)[O-])c2)c1 ZINC001174499614 1132374229 /nfs/dbraw/zinc/37/42/29/1132374229.db2.gz GNOUJCKXXPMGFH-AATRIKPKSA-N -1 0 331.755 3.968 20 0 EHADRM COc1cccc([C@H](C)NC(=O)c2ccc3[n-]c(=S)oc3c2)c1 ZINC000746120390 1132378399 /nfs/dbraw/zinc/37/83/99/1132378399.db2.gz QEMDIHYXRGCKMW-JTQLQIEISA-N -1 0 328.393 3.616 20 0 EHADRM Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000184910915 1132412004 /nfs/dbraw/zinc/41/20/04/1132412004.db2.gz WAAJGECGONDSQP-UHFFFAOYSA-N -1 0 347.223 3.968 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cnnc2ccc(Cl)cc21 ZINC001174675268 1132432928 /nfs/dbraw/zinc/43/29/28/1132432928.db2.gz USCQFSFRQMIDIV-UHFFFAOYSA-N -1 0 329.743 3.734 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1c(C)cnn1-c1cccc(C)c1 ZINC001174676796 1132433894 /nfs/dbraw/zinc/43/38/94/1132433894.db2.gz IASGFADPACNZKW-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc(-n2nc(C)cc2C)cc1 ZINC001174677009 1132434170 /nfs/dbraw/zinc/43/41/70/1132434170.db2.gz QVCQNLNAJONBMT-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cccc2c1CC(C)(C)C(=O)N2 ZINC001174679662 1132434938 /nfs/dbraw/zinc/43/49/38/1132434938.db2.gz DUTOPHLMAXRIHE-UHFFFAOYSA-N -1 0 340.379 3.658 20 0 EHADRM CCOC(=O)c1cc(Cl)cc(Nc2ccc(C(=O)[O-])c(OC)c2)c1 ZINC001174685872 1132435904 /nfs/dbraw/zinc/43/59/04/1132435904.db2.gz BRZGJWJRFVAEAF-UHFFFAOYSA-N -1 0 349.770 3.967 20 0 EHADRM COc1cc(Nc2ccc3c(=O)cc(C)oc3c2)ccc1C(=O)[O-] ZINC001174685896 1132435945 /nfs/dbraw/zinc/43/59/45/1132435945.db2.gz CJYJNOOVQNSNCG-UHFFFAOYSA-N -1 0 325.320 3.552 20 0 EHADRM COc1cc(Nc2cccc(C3=NC(C)(C)CO3)c2)ccc1C(=O)[O-] ZINC001174687656 1132436583 /nfs/dbraw/zinc/43/65/83/1132436583.db2.gz BFYGFCXYJYKITA-UHFFFAOYSA-N -1 0 340.379 3.692 20 0 EHADRM COc1cc(Nc2cc(N)ccc2OC(F)(F)F)ccc1C(=O)[O-] ZINC001174686584 1132437013 /nfs/dbraw/zinc/43/70/13/1132437013.db2.gz SEAFNKYKRARPEE-UHFFFAOYSA-N -1 0 342.273 3.618 20 0 EHADRM CCc1oc2ccccc2c1CN(C)C(=O)CC(C)(C)CC(=O)[O-] ZINC000190612051 1132454796 /nfs/dbraw/zinc/45/47/96/1132454796.db2.gz VYNPPMZMIPDLKH-UHFFFAOYSA-N -1 0 331.412 3.845 20 0 EHADRM Cc1ccc(C)c(OC2CCN(C(=O)CC(C)(C)CC(=O)[O-])CC2)c1 ZINC000190622507 1132455324 /nfs/dbraw/zinc/45/53/24/1132455324.db2.gz ZOCGPEFDZNRMEN-UHFFFAOYSA-N -1 0 347.455 3.564 20 0 EHADRM CCOC(=O)Cc1ccc(Nc2ccc(C(=O)[O-])s2)c(Cl)c1 ZINC001174806415 1132478325 /nfs/dbraw/zinc/47/83/25/1132478325.db2.gz BNFILEOFZZKVOF-UHFFFAOYSA-N -1 0 339.800 3.949 20 0 EHADRM CC(C)c1ccc(S(=O)(=O)[N-]c2nnc(CC3CCCC3)o2)cc1 ZINC000194900511 1132491644 /nfs/dbraw/zinc/49/16/44/1132491644.db2.gz SAWTUIRVQPKSND-UHFFFAOYSA-N -1 0 349.456 3.727 20 0 EHADRM CCOC(=O)c1oc2ccccc2c1Nc1ccc(CC(=O)[O-])cc1 ZINC001174950430 1132516446 /nfs/dbraw/zinc/51/64/46/1132516446.db2.gz WSMKZJZEGZAMDU-UHFFFAOYSA-N -1 0 339.347 3.980 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)c2oc3ccccc3c2C)c(C)s1 ZINC000746425960 1132522007 /nfs/dbraw/zinc/52/20/07/1132522007.db2.gz MBQMOIRMQALDQH-UHFFFAOYSA-N -1 0 349.433 3.538 20 0 EHADRM Cc1noc(C2CC2)c1[N-]S(=O)(=O)/C=C\c1ccccc1Cl ZINC000766373814 1132525618 /nfs/dbraw/zinc/52/56/18/1132525618.db2.gz YSKDZVGFURZNRE-HJWRWDBZSA-N -1 0 338.816 3.926 20 0 EHADRM O=C([N-]S(=O)(=O)CC1CCCCC1)c1cc2ccccc2s1 ZINC000746445069 1132534798 /nfs/dbraw/zinc/53/47/98/1132534798.db2.gz SRRUVJMDMBWKCA-UHFFFAOYSA-N -1 0 337.466 3.541 20 0 EHADRM COc1cccc(-n2ncc(C)c2Nc2cc(C(=O)[O-])ccc2C)c1 ZINC001174983448 1132535640 /nfs/dbraw/zinc/53/56/40/1132535640.db2.gz NTZFVOPRKWQTIN-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM CCOC(=O)CCc1cccc(Nc2cc(C(=O)[O-])ccc2C)c1 ZINC001174986581 1132536120 /nfs/dbraw/zinc/53/61/20/1132536120.db2.gz RCNXARWAIQLRST-UHFFFAOYSA-N -1 0 327.380 3.933 20 0 EHADRM COC(=O)CCc1ccc(Nc2cc(C(=O)[O-])ccc2C)cc1F ZINC001174986285 1132536609 /nfs/dbraw/zinc/53/66/09/1132536609.db2.gz NAMQGTVPCYMLJZ-UHFFFAOYSA-N -1 0 331.343 3.682 20 0 EHADRM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)C2CCN(C(=O)[O-])CC2)cc1 ZINC000738266117 1132552725 /nfs/dbraw/zinc/55/27/25/1132552725.db2.gz UBVXUWQXHLGYDY-CRAIPNDOSA-N -1 0 344.455 3.685 20 0 EHADRM CCOC(=O)c1nnsc1[N-]c1ccc(F)cc1C(F)(F)F ZINC001175101088 1132553062 /nfs/dbraw/zinc/55/30/62/1132553062.db2.gz QDHDFWXREIBVQP-UHFFFAOYSA-N -1 0 335.282 3.616 20 0 EHADRM Nc1c(-c2cccc(Cl)c2)cnn1-c1ccc(C(=O)[O-])c(F)c1 ZINC001175155348 1132569614 /nfs/dbraw/zinc/56/96/14/1132569614.db2.gz RUDUFQTYHGXAQX-UHFFFAOYSA-N -1 0 331.734 3.612 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(Br)cc2O)cc1F ZINC001175156638 1132569876 /nfs/dbraw/zinc/56/98/76/1132569876.db2.gz HXRBOUYFTNLFBQ-UHFFFAOYSA-N -1 0 326.121 3.736 20 0 EHADRM CCc1cc(Br)ncc1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175157940 1132570031 /nfs/dbraw/zinc/57/00/31/1132570031.db2.gz JCBMULBOBRGZOU-UHFFFAOYSA-N -1 0 339.164 3.987 20 0 EHADRM Nc1cc2c(ccn2-c2ccc(C(=O)[O-])c(F)c2)c(Br)c1 ZINC001175160863 1132571545 /nfs/dbraw/zinc/57/15/45/1132571545.db2.gz ODUMRVLVIGZIMO-UHFFFAOYSA-N -1 0 349.159 3.813 20 0 EHADRM CCOC(=O)c1cc(F)c(C)c(Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001175160710 1132571887 /nfs/dbraw/zinc/57/18/87/1132571887.db2.gz LTCSTCKJXMYPFV-UHFFFAOYSA-N -1 0 335.306 3.892 20 0 EHADRM Nc1nonc1[N-]c1c(F)ccc(OCc2ccccc2)c1Cl ZINC001175205780 1132586201 /nfs/dbraw/zinc/58/62/01/1132586201.db2.gz IQEMOXGFKFCKPT-UHFFFAOYSA-N -1 0 334.738 3.767 20 0 EHADRM Cc1cc(Br)cnc1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175215023 1132596881 /nfs/dbraw/zinc/59/68/81/1132596881.db2.gz FUPVHBKKFWLBMV-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM O=C([O-])c1cc(Nc2ccc(C(=O)N3CCCC3)cc2)ccc1F ZINC001175218407 1132598229 /nfs/dbraw/zinc/59/82/29/1132598229.db2.gz BHSUBMNZRVLDDS-UHFFFAOYSA-N -1 0 328.343 3.504 20 0 EHADRM O=C([O-])c1cc(Nc2cccc(-c3nc(CO)cs3)c2)ccc1F ZINC001175221773 1132598661 /nfs/dbraw/zinc/59/86/61/1132598661.db2.gz MAMAAYYYRMFGGA-UHFFFAOYSA-N -1 0 344.367 3.883 20 0 EHADRM CCNc1ccc(C(=O)OCC)cc1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175219775 1132598999 /nfs/dbraw/zinc/59/89/99/1132598999.db2.gz FHKKJMFRJOYSKM-UHFFFAOYSA-N -1 0 346.358 3.876 20 0 EHADRM Cc1cc(Cl)cc(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001168914840 1132605450 /nfs/dbraw/zinc/60/54/50/1132605450.db2.gz OJJXERMQJLAMHC-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM CC(=O)c1ccc(F)c(Nc2cc(S(=O)(=O)[O-])ccc2Cl)c1 ZINC001175276194 1132610664 /nfs/dbraw/zinc/61/06/64/1132610664.db2.gz RWTOKOFENKKHCV-UHFFFAOYSA-N -1 0 343.763 3.672 20 0 EHADRM CCOc1cc(F)ccc1Nc1ccc(S(=O)(=O)[O-])cc1Cl ZINC001175290878 1132614557 /nfs/dbraw/zinc/61/45/57/1132614557.db2.gz UGSIEWVRNZBMKW-UHFFFAOYSA-N -1 0 345.779 3.868 20 0 EHADRM O=C([O-])c1ccc(Nc2ccccc2CN2CCCC2=O)cc1Cl ZINC001175319741 1132638150 /nfs/dbraw/zinc/63/81/50/1132638150.db2.gz CKCQWMHMTIFMKA-UHFFFAOYSA-N -1 0 344.798 3.904 20 0 EHADRM O=C([O-])c1cccc(Nc2ncc(Br)cc2Cl)c1 ZINC001175328377 1132640093 /nfs/dbraw/zinc/64/00/93/1132640093.db2.gz IGPCQQINBRMMIH-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM Nc1ccc(-c2ccc(Nc3cccc(C(=O)[O-])c3)c(O)c2)cc1O ZINC001175331522 1132640896 /nfs/dbraw/zinc/64/08/96/1132640896.db2.gz URIUSAZCUSIPJW-UHFFFAOYSA-N -1 0 336.347 3.789 20 0 EHADRM COc1cc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])ccc1Cl ZINC001175773879 1132762002 /nfs/dbraw/zinc/76/20/02/1132762002.db2.gz XRSFKOOKAOZRHJ-UHFFFAOYSA-N -1 0 348.207 3.992 20 0 EHADRM COc1c(C)c(C)c(Br)c(NCc2cc(=O)[n-]o2)c1C ZINC001169491529 1132776899 /nfs/dbraw/zinc/77/68/99/1132776899.db2.gz FPIYURADMGSTIW-UHFFFAOYSA-N -1 0 341.205 3.689 20 0 EHADRM O=S(=O)([O-])c1ccc2c(cccc2Nc2cccc3c2OCC3)c1 ZINC001176075477 1132829672 /nfs/dbraw/zinc/82/96/72/1132829672.db2.gz ONFXSAUZFONIAD-UHFFFAOYSA-N -1 0 341.388 3.765 20 0 EHADRM O=C([O-])c1cc(Cl)cnc1N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001169756135 1132847289 /nfs/dbraw/zinc/84/72/89/1132847289.db2.gz YKBZMNOCEGWFCZ-UKRRQHHQSA-N -1 0 332.787 3.765 20 0 EHADRM CCN(CC)C(=O)c1cc(F)cc([N-]c2nnc(C(C)(C)C)o2)c1 ZINC001176295143 1132893501 /nfs/dbraw/zinc/89/35/01/1132893501.db2.gz GNBCEQFHLYZEKV-UHFFFAOYSA-N -1 0 334.395 3.732 20 0 EHADRM CCn1c2ccccc2c2cc(Nc3cnn(CC(=O)[O-])c3)ccc21 ZINC001176269918 1132899506 /nfs/dbraw/zinc/89/95/06/1132899506.db2.gz NPXRAMGTOCMYAG-UHFFFAOYSA-N -1 0 334.379 3.839 20 0 EHADRM CN(C)c1ncc(Nc2ccc([C@@H](C(=O)[O-])C(C)(C)C)cc2)cn1 ZINC001176334013 1132901362 /nfs/dbraw/zinc/90/13/62/1132901362.db2.gz QILXQMYVDFZCOF-HNNXBMFYSA-N -1 0 328.416 3.501 20 0 EHADRM C/C(=C\C(=O)Nc1ccccc1-n1ccc(C(=O)[O-])n1)c1ccccc1 ZINC000766993167 1132922425 /nfs/dbraw/zinc/92/24/25/1132922425.db2.gz BVEUSNAVKYNRES-BUHFOSPRSA-N -1 0 347.374 3.613 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)c1scnc1Cl ZINC000766983630 1132926278 /nfs/dbraw/zinc/92/62/78/1132926278.db2.gz SUTQFMFVDWZNCN-UHFFFAOYSA-N -1 0 332.768 3.900 20 0 EHADRM CC(C)(C)OC(=O)Nc1cc(Nc2csc(C(=O)[O-])c2)ccn1 ZINC001176437854 1132928660 /nfs/dbraw/zinc/92/86/60/1132928660.db2.gz ZTYKZHPFDKLTHH-UHFFFAOYSA-N -1 0 335.385 3.932 20 0 EHADRM COC(=O)c1ccc(C(F)(F)F)c(Nc2csc(C(=O)[O-])c2)c1 ZINC001176440595 1132929991 /nfs/dbraw/zinc/92/99/91/1132929991.db2.gz JXLHYLWTZWXJBQ-UHFFFAOYSA-N -1 0 345.298 3.995 20 0 EHADRM COC(=O)c1cc(Cl)c(F)cc1Nc1csc(C(=O)[O-])c1 ZINC001176440384 1132930211 /nfs/dbraw/zinc/93/02/11/1132930211.db2.gz MJACKTOIDLDKJB-UHFFFAOYSA-N -1 0 329.736 3.769 20 0 EHADRM CCCCC[C@H](C)CC(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC000767041402 1132938323 /nfs/dbraw/zinc/93/83/23/1132938323.db2.gz ILHNTPVOJYMSGV-LBPRGKRZSA-N -1 0 337.416 3.947 20 0 EHADRM COc1ccccc1[C@H]1C[C@H]1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000767096906 1132948715 /nfs/dbraw/zinc/94/87/15/1132948715.db2.gz PKANMRREFSSIJW-CHWSQXEVSA-N -1 0 345.782 3.789 20 0 EHADRM CC(C)c1nnc2ccc(Nc3ccc(C4(C(=O)[O-])CC4)cc3)cn21 ZINC001176587249 1132960549 /nfs/dbraw/zinc/96/05/49/1132960549.db2.gz VYVOXOQNEVGYPB-UHFFFAOYSA-N -1 0 336.395 3.713 20 0 EHADRM COC(=O)c1c(C)cccc1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176590688 1132962434 /nfs/dbraw/zinc/96/24/34/1132962434.db2.gz QTGUWKFKODQQTC-UHFFFAOYSA-N -1 0 325.364 3.641 20 0 EHADRM COCCNc1cccc(F)c1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176597082 1132970006 /nfs/dbraw/zinc/97/00/06/1132970006.db2.gz LYDYOZWHYVDXNH-JXMROGBWSA-N -1 0 330.359 3.725 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2ccc(-c3cc(CO)on3)cc2)cc1 ZINC001176598375 1132976520 /nfs/dbraw/zinc/97/65/20/1132976520.db2.gz VNXXLTQKWDILLP-XCVCLJGOSA-N -1 0 336.347 3.675 20 0 EHADRM O=c1[n-]cnc(Nc2ccc(-c3ccncc3)cc2)c1Br ZINC001176696320 1132984656 /nfs/dbraw/zinc/98/46/56/1132984656.db2.gz XGGTZFDXZFMYAA-UHFFFAOYSA-N -1 0 343.184 3.750 20 0 EHADRM COc1ccccc1Cn1ncc(C)c1Nc1ccc(C(=O)[O-])cc1 ZINC001176711309 1132995279 /nfs/dbraw/zinc/99/52/79/1132995279.db2.gz WHCRPDZHKUPOPD-UHFFFAOYSA-N -1 0 337.379 3.690 20 0 EHADRM O=C([O-])c1ccc(Nc2cccc(C(=O)Nc3cccnc3)c2)cc1 ZINC001176715519 1132995802 /nfs/dbraw/zinc/99/58/02/1132995802.db2.gz NKDGMYKTZABDEC-UHFFFAOYSA-N -1 0 333.347 3.776 20 0 EHADRM COC(=O)c1cc(Nc2ccc(C(=O)[O-])cc2)c(OC)cc1Cl ZINC001176715578 1132995994 /nfs/dbraw/zinc/99/59/94/1132995994.db2.gz QOLOCRKDBNKBRZ-UHFFFAOYSA-N -1 0 335.743 3.577 20 0 EHADRM CC(C)C(=O)[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1ccccc1 ZINC001177526719 1133075849 /nfs/dbraw/zinc/07/58/49/1133075849.db2.gz NBXLXYYGKNWMRE-OAHLLOKOSA-N -1 0 349.789 3.881 20 0 EHADRM O=C([N-]S(=O)(=O)/C=C/c1ccccc1)c1cccc2ccsc21 ZINC000767955342 1133076911 /nfs/dbraw/zinc/07/69/11/1133076911.db2.gz UULVRQSRSZAKJC-ZRDIBKRKSA-N -1 0 343.429 3.632 20 0 EHADRM Cc1n[nH]c(C(=O)N[C@@H](C)c2cccc(SC(F)(F)F)c2)c1[O-] ZINC001178164333 1133137858 /nfs/dbraw/zinc/13/78/58/1133137858.db2.gz PMGJQPKGOVLTRK-ZETCQYMHSA-N -1 0 345.346 3.527 20 0 EHADRM CCC1(CC)CN(C(=O)c2ccc3[n-]c(=S)oc3c2)CCS1 ZINC000768538743 1133152392 /nfs/dbraw/zinc/15/23/92/1133152392.db2.gz JAZLBCWAEWBULW-UHFFFAOYSA-N -1 0 336.482 3.864 20 0 EHADRM COc1ccc2cc(C(=O)Nc3ccc4[n-]c(=S)oc4c3)[nH]c2c1 ZINC000769245987 1133250206 /nfs/dbraw/zinc/25/02/06/1133250206.db2.gz QWYCYXGAHLYJJQ-UHFFFAOYSA-N -1 0 339.376 3.859 20 0 EHADRM NC(=O)c1ccccc1NC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000769630426 1133318250 /nfs/dbraw/zinc/31/82/50/1133318250.db2.gz ITTONABPPZVQRP-UHFFFAOYSA-N -1 0 340.766 3.550 20 0 EHADRM CCOC(=O)/C=C/c1ccc(NC(=O)c2c([O-])cccc2Cl)cc1 ZINC000769637984 1133319025 /nfs/dbraw/zinc/31/90/25/1133319025.db2.gz MALKOJJYBMWBRN-DHZHZOJOSA-N -1 0 345.782 3.874 20 0 EHADRM O=C(c1c([O-])cccc1Cl)N1C[C@@H]2CCCN2c2ccccc21 ZINC000769803832 1133348846 /nfs/dbraw/zinc/34/88/46/1133348846.db2.gz CPMCQYDBASZINE-LBPRGKRZSA-N -1 0 328.799 3.675 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(C3CCOCC3)cc2)CCCCC1 ZINC001180436482 1133369913 /nfs/dbraw/zinc/36/99/13/1133369913.db2.gz MSTYHFCLOUOTQP-UHFFFAOYSA-N -1 0 331.412 3.554 20 0 EHADRM O=C([O-])C1(C(=O)N[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2c2ccccc2)CCCCC1 ZINC001180440709 1133370354 /nfs/dbraw/zinc/37/03/54/1133370354.db2.gz RHXFVGCIFVMBFY-MLHJIOFPSA-N -1 0 341.451 3.720 20 0 EHADRM C[C@@H](NC(=O)c1ccc2ccccc2c1O)[C@H](O)c1ccc(F)cc1 ZINC000770039242 1133380806 /nfs/dbraw/zinc/38/08/06/1133380806.db2.gz RMDUPLAMEDTGLP-XIKOKIGWSA-N -1 0 339.366 3.536 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@H](C)[C@H](O)c2ccc(F)cc2)c(O)c1 ZINC000770039201 1133381141 /nfs/dbraw/zinc/38/11/41/1133381141.db2.gz PEIXDFWVPXIHLM-XIKOKIGWSA-N -1 0 331.387 3.507 20 0 EHADRM O=C(N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1c(O)cccc1Cl ZINC000770096844 1133386321 /nfs/dbraw/zinc/38/63/21/1133386321.db2.gz NAAJCBJYMLCXAB-XJKSGUPXSA-N -1 0 345.826 3.943 20 0 EHADRM CC1(CNC(=O)c2ccc3[n-]c(=S)oc3c2)Cc2ccccc2C1 ZINC000770231165 1133399173 /nfs/dbraw/zinc/39/91/73/1133399173.db2.gz XBUQBPHGAJYKLG-UHFFFAOYSA-N -1 0 338.432 3.651 20 0 EHADRM O=C([N-]OCC(F)(F)F)C(F)(F)c1cc(Cl)ccc1Cl ZINC000817550135 1133533737 /nfs/dbraw/zinc/53/37/37/1133533737.db2.gz RXBBOVLOUSJPRT-UHFFFAOYSA-N -1 0 338.059 3.695 20 0 EHADRM O=C([O-])c1cc(-c2ccc3nc(C(F)(F)F)cn3c2)cc(F)c1F ZINC001206031292 1133595584 /nfs/dbraw/zinc/59/55/84/1133595584.db2.gz JFVVXIGQLZYUQH-UHFFFAOYSA-N -1 0 342.223 3.997 20 0 EHADRM O=C(NCc1cnc(Cl)s1)c1c([O-])cc(Cl)cc1Cl ZINC000774245121 1133643239 /nfs/dbraw/zinc/64/32/39/1133643239.db2.gz HYDVHEGMZDYBNG-UHFFFAOYSA-N -1 0 337.615 3.739 20 0 EHADRM COCCC1(C(=O)Nc2ccc(F)c(O)c2)CCC(F)(F)CC1 ZINC001182436058 1133657510 /nfs/dbraw/zinc/65/75/10/1133657510.db2.gz GYSCBZFTGCZCSS-UHFFFAOYSA-N -1 0 331.334 3.702 20 0 EHADRM O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)c1cc(F)cc(Cl)c1[O-] ZINC001182551639 1133695712 /nfs/dbraw/zinc/69/57/12/1133695712.db2.gz GNTQTUSZRWWAPH-CVEARBPZSA-N -1 0 349.789 3.835 20 0 EHADRM Cc1ccc(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)cc1Cl ZINC001182616674 1133711894 /nfs/dbraw/zinc/71/18/94/1133711894.db2.gz UOUNFYZZELAENV-FZMZJTMJSA-N -1 0 348.796 3.680 20 0 EHADRM CCOC(=O)c1cnc(/C=C/c2cncc3ccccc23)c(C(=O)[O-])c1 ZINC000774563288 1133750716 /nfs/dbraw/zinc/75/07/16/1133750716.db2.gz YXVLTQKQHKLCLF-BQYQJAHWSA-N -1 0 348.358 3.675 20 0 EHADRM CC(C)O[C@H]1C[C@@H](NC(=O)c2cc(F)cc(Cl)c2[O-])C1(C)C ZINC001183143328 1133770551 /nfs/dbraw/zinc/77/05/51/1133770551.db2.gz PNAAEHCMBQFTMT-OLZOCXBDSA-N -1 0 329.799 3.507 20 0 EHADRM O=C(NC1CC2(CCC2)C1)c1cc(Cl)cc(Br)c1[O-] ZINC001183887366 1133870050 /nfs/dbraw/zinc/87/00/50/1133870050.db2.gz MNSAEBMXRSYQJC-UHFFFAOYSA-N -1 0 344.636 3.871 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000786620124 1133878893 /nfs/dbraw/zinc/87/88/93/1133878893.db2.gz UNHKJZXSMOROJL-OWBHPGMISA-N -1 0 339.391 3.754 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]C(=O)C[C@H](C)CC(C)(C)C ZINC000786644475 1133886059 /nfs/dbraw/zinc/88/60/59/1133886059.db2.gz BWJWRVPQBPPTOT-ZDUSSCGKSA-N -1 0 325.474 3.516 20 0 EHADRM C[C@]1(CNC(=O)c2cc(F)cc(Cl)c2[O-])CCOC2(CCC2)C1 ZINC001184327652 1133927857 /nfs/dbraw/zinc/92/78/57/1133927857.db2.gz XIMXUXABILLGJA-INIZCTEOSA-N -1 0 341.810 3.654 20 0 EHADRM CCCCOc1ccc([N-]S(=O)(=O)c2cccnc2Cl)cc1 ZINC001184868817 1134000151 /nfs/dbraw/zinc/00/01/51/1134000151.db2.gz JMSLLWXOENXTPI-UHFFFAOYSA-N -1 0 340.832 3.715 20 0 EHADRM O=S(=O)([N-]c1ccccc1-c1ccco1)c1cccnc1Cl ZINC001184880781 1134002411 /nfs/dbraw/zinc/00/24/11/1134002411.db2.gz QZFXZZKXGYZNIS-UHFFFAOYSA-N -1 0 334.784 3.796 20 0 EHADRM CC(C)c1cncc([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)c1 ZINC001185195902 1134055434 /nfs/dbraw/zinc/05/54/34/1134055434.db2.gz UATPQSBVWGRXBK-UHFFFAOYSA-N -1 0 343.408 3.661 20 0 EHADRM O=S(=O)(/C=C/c1ccc(Cl)cc1)[N-]c1cccc2ocnc21 ZINC000788131608 1134082702 /nfs/dbraw/zinc/08/27/02/1134082702.db2.gz MHBBNGCWANOSKW-CMDGGOBGSA-N -1 0 334.784 3.894 20 0 EHADRM C[C@H]1CCN(C(=O)C=C([O-])c2ccccc2Cl)CCC1(F)F ZINC001185426057 1134083258 /nfs/dbraw/zinc/08/32/58/1134083258.db2.gz FKQXBOWBNYEVHM-NSHDSACASA-N -1 0 329.774 3.807 20 0 EHADRM CN(CCC=Cc1cccnc1)C(=O)C=C([O-])c1ccccc1Cl ZINC001185434053 1134085589 /nfs/dbraw/zinc/08/55/89/1134085589.db2.gz BQOLUDJIRUQMPY-QPJJXVBHSA-N -1 0 342.826 3.870 20 0 EHADRM O=C(C=C([O-])c1ccccc1Cl)NCc1cncc2ccccc21 ZINC001185444499 1134087321 /nfs/dbraw/zinc/08/73/21/1134087321.db2.gz WFIUFCZOKAQOIG-UHFFFAOYSA-N -1 0 338.794 3.777 20 0 EHADRM O=S(=O)([N-]c1ccc2oncc2c1)c1cc2ccccc2s1 ZINC001185462425 1134092181 /nfs/dbraw/zinc/09/21/81/1134092181.db2.gz CBKNEZAABQMYBL-UHFFFAOYSA-N -1 0 330.390 3.843 20 0 EHADRM COc1nc(Cl)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1 ZINC001185497192 1134098735 /nfs/dbraw/zinc/09/87/35/1134098735.db2.gz UQXVNEULUJIEOR-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CCCCCC[C@](C)(NC(=O)Nc1ccc(F)cc1F)C(=O)[O-] ZINC000788315103 1134112828 /nfs/dbraw/zinc/11/28/28/1134112828.db2.gz MVEDAOBRSASWGB-INIZCTEOSA-N -1 0 328.359 3.900 20 0 EHADRM Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1cccc2c1CCCC2 ZINC000788492246 1134132009 /nfs/dbraw/zinc/13/20/09/1134132009.db2.gz SGLBZFLULGAGLJ-UHFFFAOYSA-N -1 0 336.844 3.723 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(Cl)cc2ncoc21 ZINC001185837051 1134139314 /nfs/dbraw/zinc/13/93/14/1134139314.db2.gz RUDHUSOUWWAAEW-UHFFFAOYSA-N -1 0 340.763 3.730 20 0 EHADRM Cc1cc2cc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3C)ccc2o1 ZINC001185909356 1134148299 /nfs/dbraw/zinc/14/82/99/1134148299.db2.gz SMMJZWOCLJITJE-UHFFFAOYSA-N -1 0 345.376 3.549 20 0 EHADRM Cc1ccc(C(C)C)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001185909485 1134148316 /nfs/dbraw/zinc/14/83/16/1134148316.db2.gz WPJCENIKWGYTFL-UHFFFAOYSA-N -1 0 347.436 3.926 20 0 EHADRM Cc1ccc(SC2(C(=O)[N-]OC3CCOCC3)CCCC2)cc1 ZINC000772722853 1134155858 /nfs/dbraw/zinc/15/58/58/1134155858.db2.gz OKLYZUJEAAUWFZ-UHFFFAOYSA-N -1 0 335.469 3.627 20 0 EHADRM Cc1cc(S(=O)(=O)N[C@@H](c2ccccc2)C2CCCC2)sn1 ZINC001186169869 1134181756 /nfs/dbraw/zinc/18/17/56/1134181756.db2.gz VUCLQERWJVAEGW-INIZCTEOSA-N -1 0 336.482 3.661 20 0 EHADRM O=C(NCc1cc(-c2ccccc2F)no1)c1cccc([S-])c1 ZINC001186167652 1134182172 /nfs/dbraw/zinc/18/21/72/1134182172.db2.gz ZTKKIAILPBYBJM-UHFFFAOYSA-N -1 0 328.368 3.699 20 0 EHADRM O=S(=O)([N-]c1cc([O-])c(F)c(F)c1)c1csc2ccccc21 ZINC001186495251 1134221881 /nfs/dbraw/zinc/22/18/81/1134221881.db2.gz FDKCYBYQDDRHML-UHFFFAOYSA-N -1 0 341.360 3.686 20 0 EHADRM O=S(=O)([N-]c1cccc2cnncc21)c1csc2ccccc21 ZINC001186495543 1134222373 /nfs/dbraw/zinc/22/23/73/1134222373.db2.gz QJHIOOVDKKEBKQ-UHFFFAOYSA-N -1 0 341.417 3.645 20 0 EHADRM O=S(=O)([N-]c1cnoc1)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC001186606734 1134239437 /nfs/dbraw/zinc/23/94/37/1134239437.db2.gz ASDVKDLRLJXXSK-UHFFFAOYSA-N -1 0 334.784 3.796 20 0 EHADRM CC(C)(C)Cc1cc(NC(=O)c2cc(F)c(F)c([O-])c2F)on1 ZINC001186766200 1134255262 /nfs/dbraw/zinc/25/52/62/1134255262.db2.gz DUIHFOBDGLZYAL-UHFFFAOYSA-N -1 0 328.290 3.638 20 0 EHADRM O=S(=O)([N-]c1ccc(C(F)(F)F)c2ncccc12)c1ccco1 ZINC001186859446 1134269235 /nfs/dbraw/zinc/26/92/35/1134269235.db2.gz YIHLYQWHQUWSSN-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM O=S(=O)([N-]c1ccc2nc(C(F)(F)F)ccc2c1)c1ccco1 ZINC001186855714 1134269862 /nfs/dbraw/zinc/26/98/62/1134269862.db2.gz ARYZEDPONMROEY-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM O=S(=O)([N-]c1cc(F)cc2c1-c1ccc(F)cc1C2)c1ccco1 ZINC001186867917 1134271150 /nfs/dbraw/zinc/27/11/50/1134271150.db2.gz PVYGKGIBLZJRKA-UHFFFAOYSA-N -1 0 347.342 3.930 20 0 EHADRM CC(C)n1cnc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c1 ZINC001187044228 1134287132 /nfs/dbraw/zinc/28/71/32/1134287132.db2.gz XOHRECZWHADOOQ-UHFFFAOYSA-N -1 0 348.255 3.713 20 0 EHADRM O=S(=O)([N-]c1ccc(C(F)F)cn1)c1cc2c(s1)CCCC2 ZINC001187188740 1134307392 /nfs/dbraw/zinc/30/73/92/1134307392.db2.gz JHFPVHULEYNXER-UHFFFAOYSA-N -1 0 344.408 3.760 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)c(O)c1 ZINC001187210229 1134315156 /nfs/dbraw/zinc/31/51/56/1134315156.db2.gz SPNUXAOCAHEQKZ-UHFFFAOYSA-N -1 0 337.466 3.696 20 0 EHADRM Cc1oncc1S(=O)(=O)[N-]c1ccccc1Sc1ccccc1 ZINC001187371149 1134327807 /nfs/dbraw/zinc/32/78/07/1134327807.db2.gz SCNWDCMZDSPBEX-UHFFFAOYSA-N -1 0 346.433 3.935 20 0 EHADRM Cc1oncc1S(=O)(=O)[N-]c1ccc(Sc2ccccc2)cc1 ZINC001187370186 1134327912 /nfs/dbraw/zinc/32/79/12/1134327912.db2.gz ANSRZQPCTUOYAQ-UHFFFAOYSA-N -1 0 346.433 3.935 20 0 EHADRM O=C([O-])c1cc(NCc2coc3ccccc23)cc2c1OCCO2 ZINC000789903463 1134347889 /nfs/dbraw/zinc/34/78/89/1134347889.db2.gz YRFSLHHOALPYCY-UHFFFAOYSA-N -1 0 325.320 3.514 20 0 EHADRM COc1ccccc1Oc1ccc(S(=O)(=O)[N-]c2ccoc2)cc1 ZINC001187808215 1134384776 /nfs/dbraw/zinc/38/47/76/1134384776.db2.gz GRZBFWZTNSNLAY-UHFFFAOYSA-N -1 0 345.376 3.881 20 0 EHADRM O=S(=O)([N-]c1ccccc1-c1ccccc1F)c1nccs1 ZINC001187891437 1134399940 /nfs/dbraw/zinc/39/99/40/1134399940.db2.gz LUWJTOOQEWDJOS-UHFFFAOYSA-N -1 0 334.397 3.750 20 0 EHADRM O=C(NC[C@H]1CCCC(F)(F)C1)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188598703 1134480917 /nfs/dbraw/zinc/48/09/17/1134480917.db2.gz VFRNLKVCIKYNGR-VIFPVBQESA-N -1 0 337.288 3.966 20 0 EHADRM O=S(=O)(CCCC1CC1)[N-][C@@H](CCc1ccccc1)C(F)(F)F ZINC001188656056 1134488305 /nfs/dbraw/zinc/48/83/05/1134488305.db2.gz NFFOQYUFXOIZFP-HNNXBMFYSA-N -1 0 349.418 3.660 20 0 EHADRM O=S(=O)([N-]c1cscn1)c1ccc2oc3ccccc3c2c1 ZINC001188802788 1134510440 /nfs/dbraw/zinc/51/04/40/1134510440.db2.gz FZGKLJKUHVNXDT-UHFFFAOYSA-N -1 0 330.390 3.843 20 0 EHADRM O=C(COC(=O)c1c(F)cc([O-])cc1F)c1cccc2ccccc21 ZINC000746987740 1134516051 /nfs/dbraw/zinc/51/60/51/1134516051.db2.gz RHHQYKVOMJLAPB-UHFFFAOYSA-N -1 0 342.297 3.863 20 0 EHADRM CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)[N-]OC1CCCC1 ZINC000775216843 1134539753 /nfs/dbraw/zinc/53/97/53/1134539753.db2.gz MIHJFWPCYXRISH-UHFFFAOYSA-N -1 0 332.444 3.862 20 0 EHADRM COc1cc(C)ccc1NS(=O)(=O)CCc1ccc(Cl)cc1 ZINC001189104376 1134544497 /nfs/dbraw/zinc/54/44/97/1134544497.db2.gz SGZUAJWTIMOZKC-UHFFFAOYSA-N -1 0 339.844 3.641 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)Cc2ccc(F)c(F)c2)sn1 ZINC001189277536 1134567135 /nfs/dbraw/zinc/56/71/35/1134567135.db2.gz IQDLUNYDSXNFPE-UHFFFAOYSA-N -1 0 346.424 3.661 20 0 EHADRM O=S(=O)(Cc1cc(F)ccc1F)Nc1ccc(Cl)cc1[S-] ZINC001189688772 1134611362 /nfs/dbraw/zinc/61/13/62/1134611362.db2.gz UWYVFOMWMPWKMW-UHFFFAOYSA-N -1 0 349.811 3.849 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)CC/C=C\c2ccccc2)sc1C ZINC000775292670 1134615942 /nfs/dbraw/zinc/61/59/42/1134615942.db2.gz FTPJHXOTQLOCDL-POHAHGRESA-N -1 0 349.477 3.663 20 0 EHADRM COc1ccc(-n2nc(C)cc2Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC001203286148 1134629573 /nfs/dbraw/zinc/62/95/73/1134629573.db2.gz JNBAZYTUAFNUIK-UHFFFAOYSA-N -1 0 341.342 3.770 20 0 EHADRM COc1ncc(Nc2ccc(C(=O)[O-])cc2F)cc1C(F)(F)F ZINC001203286257 1134631115 /nfs/dbraw/zinc/63/11/15/1134631115.db2.gz BXVAORXQPPVXFG-UHFFFAOYSA-N -1 0 330.237 3.690 20 0 EHADRM O=C(Nc1cc2ccccn2n1)c1cc(Br)ccc1[S-] ZINC001189952707 1134641752 /nfs/dbraw/zinc/64/17/52/1134641752.db2.gz FZRFJEVGELMGAF-UHFFFAOYSA-N -1 0 348.225 3.638 20 0 EHADRM CCOc1ccc2c(c1)[C@H](NC(=O)c1cccc(Cl)c1[O-])CCO2 ZINC000775339566 1134648103 /nfs/dbraw/zinc/64/81/03/1134648103.db2.gz CIUBLYZPHVFRFI-OAHLLOKOSA-N -1 0 347.798 3.698 20 0 EHADRM O=C(NCc1ccc(Cl)cc1Cl)Nc1ncc(F)cc1[O-] ZINC001190069864 1134657465 /nfs/dbraw/zinc/65/74/65/1134657465.db2.gz RALKYRIKLMCTHK-UHFFFAOYSA-N -1 0 330.146 3.555 20 0 EHADRM COc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccccc1C ZINC001190217951 1134672083 /nfs/dbraw/zinc/67/20/83/1134672083.db2.gz HFTSDABOMGRQSP-UHFFFAOYSA-N -1 0 345.342 3.823 20 0 EHADRM CCOC(=O)c1cnc(NC(=O)c2cccc(-c3ccccc3C)c2)[n-]1 ZINC001190289948 1134680878 /nfs/dbraw/zinc/68/08/78/1134680878.db2.gz LSDWQVJPILZGKR-UHFFFAOYSA-N -1 0 349.390 3.814 20 0 EHADRM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190391922 1134689965 /nfs/dbraw/zinc/68/99/65/1134689965.db2.gz XQWUTQIFFHSGHW-UHFFFAOYSA-N -1 0 329.343 3.776 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cn(CC3CC3)cn2)cc1 ZINC001190432715 1134699723 /nfs/dbraw/zinc/69/97/23/1134699723.db2.gz WNYFQFMESTUSCY-UHFFFAOYSA-N -1 0 347.484 3.782 20 0 EHADRM CCC[C@H]([N-]S(=O)(=O)c1occc1Br)C(C)(C)C ZINC001190437083 1134700010 /nfs/dbraw/zinc/70/00/10/1134700010.db2.gz BSMNOXWWGOFEAC-JTQLQIEISA-N -1 0 338.267 3.535 20 0 EHADRM CCC[C@@H](NC(=O)c1cccc(Cl)c1[O-])[C@H](O)c1ccccc1 ZINC000792567119 1134706877 /nfs/dbraw/zinc/70/68/77/1134706877.db2.gz SNJVCWIWKKKLJV-HZPDHXFCSA-N -1 0 333.815 3.678 20 0 EHADRM O=S(=O)([N-]c1cccc2ncsc21)c1ccc(C2CC2)cc1 ZINC001190500066 1134707149 /nfs/dbraw/zinc/70/71/49/1134707149.db2.gz KYUBFSKHNODQAD-UHFFFAOYSA-N -1 0 330.434 3.975 20 0 EHADRM CCn1ncc2cc(NS(=O)(=O)c3ccc(C4CC4)cc3)ccc21 ZINC001190506236 1134708061 /nfs/dbraw/zinc/70/80/61/1134708061.db2.gz KSMZBIFFRDQLAA-UHFFFAOYSA-N -1 0 341.436 3.734 20 0 EHADRM O=S(=O)([N-]c1ccc(Oc2ccccc2)c(Cl)c1)c1ncc[nH]1 ZINC001190728153 1134743487 /nfs/dbraw/zinc/74/34/87/1134743487.db2.gz FEEBFKHQYIFJPB-UHFFFAOYSA-N -1 0 349.799 3.656 20 0 EHADRM COc1cccc(Cn2nccc2Nc2ccc(C(=O)[O-])cc2F)c1 ZINC001203288374 1134818050 /nfs/dbraw/zinc/81/80/50/1134818050.db2.gz QPSVAEFMZMNSCA-UHFFFAOYSA-N -1 0 341.342 3.521 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cccc3ncn(C)c32)cc1 ZINC001191253830 1134825055 /nfs/dbraw/zinc/82/50/55/1134825055.db2.gz PCCYECRPLKFACG-UHFFFAOYSA-N -1 0 343.452 3.717 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)CC2CCCC2)c(C(F)(F)F)c1 ZINC001191535583 1134881203 /nfs/dbraw/zinc/88/12/03/1134881203.db2.gz MSLKUNYPMOKNEY-UHFFFAOYSA-N -1 0 349.374 3.840 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]C(=O)C=C2CCCC2)c1Cl ZINC000793355920 1134908147 /nfs/dbraw/zinc/90/81/47/1134908147.db2.gz RDURAFXXPQBFCX-UHFFFAOYSA-N -1 0 348.251 3.607 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(C2CCC2)nc1 ZINC001191792378 1134924857 /nfs/dbraw/zinc/92/48/57/1134924857.db2.gz KYBHHUPRQUBAHC-UHFFFAOYSA-N -1 0 346.452 3.857 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccccc1OC(C)C ZINC001191822243 1134930270 /nfs/dbraw/zinc/93/02/70/1134930270.db2.gz WSEUHQFHQIAPIC-UHFFFAOYSA-N -1 0 349.452 3.982 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cccc2c1ccn2C ZINC001191828778 1134932524 /nfs/dbraw/zinc/93/25/24/1134932524.db2.gz PRHOLXLMIHCCRP-UHFFFAOYSA-N -1 0 344.436 3.686 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)on1 ZINC001191867167 1134937406 /nfs/dbraw/zinc/93/74/06/1134937406.db2.gz WYLODJSVWJICNR-UHFFFAOYSA-N -1 0 346.811 3.707 20 0 EHADRM CCc1ncsc1[N-]S(=O)(=O)c1ccc2cc(OC)ccc2c1 ZINC001191944373 1134944329 /nfs/dbraw/zinc/94/43/29/1134944329.db2.gz JFKIFSGDONMXLC-UHFFFAOYSA-N -1 0 348.449 3.668 20 0 EHADRM CSCCO[N-]C(=O)[C@H](C)Sc1cc(Cl)ccc1Cl ZINC000794189522 1135026064 /nfs/dbraw/zinc/02/60/64/1135026064.db2.gz CAHBAZCWTPREAX-QMMMGPOBSA-N -1 0 340.297 3.885 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2scnc2C(C)C)c1 ZINC001192773521 1135053159 /nfs/dbraw/zinc/05/31/59/1135053159.db2.gz CJAOEMUGAGNIHM-UHFFFAOYSA-N -1 0 340.470 3.638 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(SC)c2)c1 ZINC001192805715 1135057523 /nfs/dbraw/zinc/05/75/23/1135057523.db2.gz NWQUWWAQJKXXER-UHFFFAOYSA-N -1 0 337.466 3.780 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cccc3c2CCCC3)c1 ZINC001192821298 1135059178 /nfs/dbraw/zinc/05/91/78/1135059178.db2.gz LWQISHDRWTVWTH-UHFFFAOYSA-N -1 0 345.464 3.937 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(F)c(F)c1[O-])c1ccc(F)c(F)c1 ZINC001192818911 1135059505 /nfs/dbraw/zinc/05/95/05/1135059505.db2.gz SXGPGFCSLWJUCX-CYBMUJFWSA-N -1 0 327.277 3.830 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(F)c(C)c(F)c2)c1 ZINC001192821010 1135059566 /nfs/dbraw/zinc/05/95/66/1135059566.db2.gz IUTYWNGGRMBECR-UHFFFAOYSA-N -1 0 341.379 3.645 20 0 EHADRM Cc1ccc2[nH]cc(CN(C)C(=O)c3ccc([O-])c(F)c3F)c2c1 ZINC001192832257 1135059687 /nfs/dbraw/zinc/05/96/87/1135059687.db2.gz ASCYCCZXLWSADL-UHFFFAOYSA-N -1 0 330.334 3.732 20 0 EHADRM O=C(Nc1cc(-c2ccc(F)cc2)no1)c1ccc([O-])c(F)c1F ZINC001192827657 1135060032 /nfs/dbraw/zinc/06/00/32/1135060032.db2.gz OCDPNLSJVCAOSI-UHFFFAOYSA-N -1 0 334.253 3.717 20 0 EHADRM O=C(c1ccc([O-])c(F)c1F)N1CCC[C@@H](Cc2ccccc2)C1 ZINC001192833195 1135061114 /nfs/dbraw/zinc/06/11/14/1135061114.db2.gz NQNSHNCFMOIPLN-AWEZNQCLSA-N -1 0 331.362 3.765 20 0 EHADRM O=C(Nc1ccc(C2CCOCC2)cc1)c1ccc([O-])c(F)c1F ZINC001192840557 1135063570 /nfs/dbraw/zinc/06/35/70/1135063570.db2.gz SJHHUUOZBBAFJO-UHFFFAOYSA-N -1 0 333.334 3.817 20 0 EHADRM O=C(NCc1cc2cc(Cl)ccc2[nH]1)c1ccc([O-])c(F)c1F ZINC001192841389 1135063826 /nfs/dbraw/zinc/06/38/26/1135063826.db2.gz KQDWKLQCGVMSBR-UHFFFAOYSA-N -1 0 336.725 3.735 20 0 EHADRM O=S(=O)([N-]c1cncc(-c2ccccc2)c1)c1cnccc1Cl ZINC001192854648 1135066648 /nfs/dbraw/zinc/06/66/48/1135066648.db2.gz AXQNHMNJBKVYMC-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM COc1ccc(-n2nc(C)cc2C(=O)Nc2ccccc2[S-])cc1 ZINC001192884813 1135067647 /nfs/dbraw/zinc/06/76/47/1135067647.db2.gz RZLWFYRZBIKLLI-UHFFFAOYSA-N -1 0 339.420 3.730 20 0 EHADRM O=S(=O)([N-]c1cccc(-c2cccnc2)c1)c1cnccc1Cl ZINC001192885347 1135068101 /nfs/dbraw/zinc/06/81/01/1135068101.db2.gz QMGKPGWMPLJNPK-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc(Cl)nc(Cl)c2[O-])CCC1(F)F ZINC001193083858 1135097695 /nfs/dbraw/zinc/09/76/95/1135097695.db2.gz ZLMFRHGNGCNXMZ-ZETCQYMHSA-N -1 0 339.169 3.601 20 0 EHADRM O=C(N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1)c1ccc(F)c([O-])c1F ZINC001193800714 1135186526 /nfs/dbraw/zinc/18/65/26/1135186526.db2.gz OMDPPAMEVAVWIB-XGIHMFCUSA-N -1 0 343.373 3.983 20 0 EHADRM C[C@H](O)c1cc(NC(=O)c2cc(F)c([O-])c(Cl)c2)ccc1F ZINC000804797078 1135193959 /nfs/dbraw/zinc/19/39/59/1135193959.db2.gz IWPFLVQZPMFGCA-ZETCQYMHSA-N -1 0 327.714 3.629 20 0 EHADRM CC(C)(C)Sc1ccccc1[N-]S(=O)(=O)c1ccccc1N ZINC001193935311 1135201623 /nfs/dbraw/zinc/20/16/23/1135201623.db2.gz YCNMULZKROHMTD-UHFFFAOYSA-N -1 0 336.482 3.960 20 0 EHADRM C[C@H]([N-]C(=O)C(F)(F)C(F)F)c1ccc(Br)cc1F ZINC000804891981 1135215327 /nfs/dbraw/zinc/21/53/27/1135215327.db2.gz KKACNJKRKNGENR-YFKPBYRVSA-N -1 0 346.093 3.666 20 0 EHADRM CCOC(=O)c1[n-]c(=NC(=O)Oc2ccc(Cl)cc2)sc1C ZINC001194032189 1135218010 /nfs/dbraw/zinc/21/80/10/1135218010.db2.gz WAENXOVJHRLQTB-UHFFFAOYSA-N -1 0 340.788 3.893 20 0 EHADRM COCCCO[N-]C(=O)[C@H](Sc1ccccc1F)c1ccccc1 ZINC000805040270 1135227932 /nfs/dbraw/zinc/22/79/32/1135227932.db2.gz TZQGLXDNTBHZHY-QGZVFWFLSA-N -1 0 349.427 3.743 20 0 EHADRM Cc1cnc(C)c([N-]S(=O)(=O)c2ccc(-c3cccs3)cc2)n1 ZINC001194131215 1135229770 /nfs/dbraw/zinc/22/97/70/1135229770.db2.gz OUPAANFSVKEQCM-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM COC(=O)Nc1cccc(C(=O)Nc2cc(Cl)c([O-])cc2F)c1 ZINC000805259757 1135254300 /nfs/dbraw/zinc/25/43/00/1135254300.db2.gz KVWIGWGSAFSQAV-UHFFFAOYSA-N -1 0 338.722 3.615 20 0 EHADRM C[C@H](OC(=O)c1cc(F)c([O-])c(F)c1)c1nccn1-c1ccccc1 ZINC000805481506 1135276925 /nfs/dbraw/zinc/27/69/25/1135276925.db2.gz PBKYSNWIRJPJQM-NSHDSACASA-N -1 0 344.317 3.774 20 0 EHADRM Cc1ccnc2c([N-]S(=O)(=O)c3c(C)cccc3C)cccc12 ZINC001194643768 1135296113 /nfs/dbraw/zinc/29/61/13/1135296113.db2.gz NBSOPNVHLUGFRR-UHFFFAOYSA-N -1 0 326.421 3.961 20 0 EHADRM O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cccc(Cl)c1[O-] ZINC000775642948 1135382099 /nfs/dbraw/zinc/38/20/99/1135382099.db2.gz QEOHBMIONOHHKW-HNNXBMFYSA-N -1 0 348.830 3.596 20 0 EHADRM Cc1cc(Cl)nc([N-]S(=O)(=O)c2c(C)cccc2Cl)c1 ZINC001195276645 1135403576 /nfs/dbraw/zinc/40/35/76/1135403576.db2.gz RSKBVTPNKROXLY-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM O=C(Nc1scnc1C1CC1)c1c([O-])c(F)c(F)c(F)c1F ZINC001195289769 1135407042 /nfs/dbraw/zinc/40/70/42/1135407042.db2.gz AOGGEAJZOUJFBU-UHFFFAOYSA-N -1 0 332.278 3.535 20 0 EHADRM Cc1nc2c(cccc2[N-]S(=O)(=O)c2c(C)cccc2Cl)o1 ZINC001195309054 1135410621 /nfs/dbraw/zinc/41/06/21/1135410621.db2.gz YUJPSBDPTUCYMZ-UHFFFAOYSA-N -1 0 336.800 3.899 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)c2c([O-])c(F)c(F)c(F)c2F)c2ccccc21 ZINC001195311518 1135411858 /nfs/dbraw/zinc/41/18/58/1135411858.db2.gz UWQXNFCBGMJEKJ-GMSGAONNSA-N -1 0 339.288 3.927 20 0 EHADRM CCCC(=O)Nc1ccc(CNC(=O)c2cccc(Cl)c2[O-])cc1 ZINC000775659503 1135433133 /nfs/dbraw/zinc/43/31/33/1135433133.db2.gz IMWDZXYJSDKCKB-UHFFFAOYSA-N -1 0 346.814 3.714 20 0 EHADRM CC(C)NC(=O)Nc1ccccc1NC(=O)c1cccc(Cl)c1[O-] ZINC000775664055 1135438330 /nfs/dbraw/zinc/43/83/30/1135438330.db2.gz QODZYFYLOMLMIZ-UHFFFAOYSA-N -1 0 347.802 3.828 20 0 EHADRM O=C(Nc1c(Cl)ccc([O-])c1Cl)c1cc(F)c(CO)c(F)c1 ZINC001195619545 1135443331 /nfs/dbraw/zinc/44/33/31/1135443331.db2.gz ISKBWMGYAFLFKD-UHFFFAOYSA-N -1 0 348.132 3.722 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cc(C)c(Cl)c(Cl)c2)cn1 ZINC001195732398 1135455722 /nfs/dbraw/zinc/45/57/22/1135455722.db2.gz ZNNMDDRWYROCDL-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CC(C)n1ncc2c1nc(/C=C/c1cccnc1Cl)cc2C(=O)[O-] ZINC000806559821 1135459547 /nfs/dbraw/zinc/45/95/47/1135459547.db2.gz GDTWAASWVNQZPR-AATRIKPKSA-N -1 0 342.786 3.929 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)c3cccc(Cl)c3[O-])c2)no1 ZINC000775672018 1135470388 /nfs/dbraw/zinc/47/03/88/1135470388.db2.gz NVRHDQCLGDEIDT-UHFFFAOYSA-N -1 0 329.743 3.656 20 0 EHADRM C[C@@H]1CN(C(=O)c2cccc(Cl)c2[O-])C[C@@H](c2ccccc2)O1 ZINC000775673265 1135475616 /nfs/dbraw/zinc/47/56/16/1135475616.db2.gz XVCLHNGNHFVUHV-WBMJQRKESA-N -1 0 331.799 3.648 20 0 EHADRM CC(C)C[C@H](NS(=O)(=O)c1ccc(O)cc1)c1ccccc1F ZINC001195824992 1135476954 /nfs/dbraw/zinc/47/69/54/1135476954.db2.gz HVYHWFRIKQAVIA-KRWDZBQOSA-N -1 0 337.416 3.597 20 0 EHADRM Cc1ccc(NC(=O)c2cccc(Cl)c2[O-])cc1NC(=O)N(C)C ZINC000794422192 1135486091 /nfs/dbraw/zinc/48/60/91/1135486091.db2.gz LJNVWZGJQKQQBT-UHFFFAOYSA-N -1 0 347.802 3.700 20 0 EHADRM CCc1cnccc1C(=O)Nc1ccc(F)c(Br)c1[O-] ZINC001196138278 1135520559 /nfs/dbraw/zinc/52/05/59/1135520559.db2.gz FMQYXQQLTHXXGZ-UHFFFAOYSA-N -1 0 339.164 3.504 20 0 EHADRM C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cccc(Cl)c1[O-] ZINC000775698672 1135532517 /nfs/dbraw/zinc/53/25/17/1135532517.db2.gz QLIKVINAGACDDS-WBMJQRKESA-N -1 0 331.799 3.648 20 0 EHADRM O=C(N[C@H](c1ccccc1)c1cccnc1)c1cccc(Cl)c1[O-] ZINC000775711481 1135548637 /nfs/dbraw/zinc/54/86/37/1135548637.db2.gz BBTLCXMDXWNLAV-QGZVFWFLSA-N -1 0 338.794 3.960 20 0 EHADRM Cc1ccc2[nH]cc(CN(C)C(=O)c3cc(Cl)ncc3[O-])c2c1 ZINC001196396217 1135555673 /nfs/dbraw/zinc/55/56/73/1135555673.db2.gz QXAMYEVGYICNJQ-UHFFFAOYSA-N -1 0 329.787 3.503 20 0 EHADRM COc1ccc(F)c(S(=O)(=O)[N-]c2ccccc2CC(C)C)c1 ZINC001196765114 1135603657 /nfs/dbraw/zinc/60/36/57/1135603657.db2.gz VGVBVPHUUMIILE-UHFFFAOYSA-N -1 0 337.416 3.834 20 0 EHADRM Cc1ccc(CCN(C)C(=S)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001197096635 1135645545 /nfs/dbraw/zinc/64/55/45/1135645545.db2.gz DEXKEGXDUFSLGL-UHFFFAOYSA-N -1 0 328.437 3.565 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2ccnc(C(F)(F)F)c2)cc1 ZINC001197076032 1135647380 /nfs/dbraw/zinc/64/73/80/1135647380.db2.gz WKMDBNHOFQMIIE-UHFFFAOYSA-N -1 0 341.314 3.608 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N[C@H]2C[C@H]2c2cccc(Cl)c2)cc1 ZINC001197132634 1135648142 /nfs/dbraw/zinc/64/81/42/1135648142.db2.gz YXFFGZPIQMOQQO-GJZGRUSLSA-N -1 0 346.839 3.881 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NCCCc2ccc(Cl)cc2)cc1 ZINC001197129267 1135648262 /nfs/dbraw/zinc/64/82/62/1135648262.db2.gz UIBINQYMKYIKAK-UHFFFAOYSA-N -1 0 348.855 3.957 20 0 EHADRM O=S(=O)(/C=C/c1ccc(Cl)cc1)[N-][C@H](C1CC1)C(F)(F)F ZINC000808328293 1135653061 /nfs/dbraw/zinc/65/30/61/1135653061.db2.gz NTLWOPUNBZEOJF-ABZNLYFFSA-N -1 0 339.766 3.571 20 0 EHADRM O=C(C[C@@H]1CCCN1C(=O)c1cccc(Cl)c1[O-])c1cccs1 ZINC000775772287 1135686866 /nfs/dbraw/zinc/68/68/66/1135686866.db2.gz TZSWKGIPZWUVMV-NSHDSACASA-N -1 0 349.839 3.985 20 0 EHADRM Cc1ncc([N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)s1 ZINC001197504834 1135701070 /nfs/dbraw/zinc/70/10/70/1135701070.db2.gz OAAXKNOWAUJLGK-UHFFFAOYSA-N -1 0 337.253 3.700 20 0 EHADRM CCC[C@H](C)c1cc([N-]S(=O)(=O)Cc2c(F)cccc2F)on1 ZINC001197565228 1135706502 /nfs/dbraw/zinc/70/65/02/1135706502.db2.gz YTKLNBLPTWQJMZ-JTQLQIEISA-N -1 0 344.383 3.798 20 0 EHADRM O=C(CC/C=C/c1ccccc1)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000121481059 1135718013 /nfs/dbraw/zinc/71/80/13/1135718013.db2.gz WICKELPDSVOAQZ-RUDMXATFSA-N -1 0 349.839 3.639 20 0 EHADRM Cc1cc(F)nc([N-]S(=O)(=O)Cc2cccc(Cl)c2Cl)c1 ZINC001197726797 1135730735 /nfs/dbraw/zinc/73/07/35/1135730735.db2.gz BRHCGYDWWWYRBM-UHFFFAOYSA-N -1 0 349.214 3.778 20 0 EHADRM CC(C)n1cnc([N-]S(=O)(=O)Cc2cccc(Cl)c2Cl)c1 ZINC001197727900 1135731695 /nfs/dbraw/zinc/73/16/95/1135731695.db2.gz SYNZFOIKMBNBIX-UHFFFAOYSA-N -1 0 348.255 3.713 20 0 EHADRM Cc1cn2c(nc(C)c2CN(C)C(=O)c2cccc(Cl)c2[O-])s1 ZINC000775798574 1135752123 /nfs/dbraw/zinc/75/21/23/1135752123.db2.gz FGGBPERQZADISQ-UHFFFAOYSA-N -1 0 349.843 3.644 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C)c1 ZINC001197954770 1135757718 /nfs/dbraw/zinc/75/77/18/1135757718.db2.gz CLEQMKYQJMHRGY-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2cccc(Cl)c2[O-])cc1 ZINC000775816104 1135770101 /nfs/dbraw/zinc/77/01/01/1135770101.db2.gz XFZABEMUVHJIQH-PIGZYNQJSA-N -1 0 349.814 3.560 20 0 EHADRM COCCOCc1ccc(/C=C\c2ncc(/C=C/C(=O)[O-])s2)cc1 ZINC000809153680 1135791669 /nfs/dbraw/zinc/79/16/69/1135791669.db2.gz BSETYIITYQLQHH-MKKAVFGOSA-N -1 0 345.420 3.574 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2OC2CCCCC2)cn1 ZINC001198315528 1135799637 /nfs/dbraw/zinc/79/96/37/1135799637.db2.gz ZBRTUCHFAQLNGU-UHFFFAOYSA-N -1 0 346.452 3.902 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2C)cn1 ZINC001198317098 1135799897 /nfs/dbraw/zinc/79/98/97/1135799897.db2.gz ASDGNZZEZVFJIH-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)ccc2O)cn1 ZINC001198321028 1135800076 /nfs/dbraw/zinc/80/00/76/1135800076.db2.gz JPWJHPFKPDVMJL-UHFFFAOYSA-N -1 0 346.452 3.944 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)ccc2O)c(C)c1 ZINC001198943998 1135871702 /nfs/dbraw/zinc/87/17/02/1135871702.db2.gz XIXTZHLKYYSCET-UHFFFAOYSA-N -1 0 349.452 3.808 20 0 EHADRM Cc1nc(Cl)nc(Cl)c1Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203319659 1135891218 /nfs/dbraw/zinc/89/12/18/1135891218.db2.gz UDAVYPLDCJTLJN-UHFFFAOYSA-N -1 0 334.109 3.812 20 0 EHADRM [O-]C(=NOC/C=C/Cl)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000810206313 1135942827 /nfs/dbraw/zinc/94/28/27/1135942827.db2.gz IPLBDCSEWWCZFA-GORDUTHDSA-N -1 0 345.211 3.664 20 0 EHADRM CCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1 ZINC000776089860 1135951698 /nfs/dbraw/zinc/95/16/98/1135951698.db2.gz FZCWKOVGUYNLLU-CABCVRRESA-N -1 0 325.474 3.800 20 0 EHADRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@H](C)CCCc1ccccc1 ZINC000776088174 1135951887 /nfs/dbraw/zinc/95/18/87/1135951887.db2.gz FMQFYSZUJYHQTO-HZPDHXFCSA-N -1 0 339.501 3.528 20 0 EHADRM O=S(=O)([N-]c1cccc(O)c1)c1cc(Cl)c(Cl)cc1F ZINC001201244692 1135998665 /nfs/dbraw/zinc/99/86/65/1135998665.db2.gz VYSIHZVOOONZOX-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM COc1cncc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c1C ZINC001201793146 1136063061 /nfs/dbraw/zinc/06/30/61/1136063061.db2.gz YRGKSRIGLVXSAU-UHFFFAOYSA-N -1 0 348.468 3.742 20 0 EHADRM CCOc1ccc(CN(C)C(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000811813723 1136144158 /nfs/dbraw/zinc/14/41/58/1136144158.db2.gz DVSNEBXXMGAQND-UHFFFAOYSA-N -1 0 347.798 3.709 20 0 EHADRM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811820164 1136145283 /nfs/dbraw/zinc/14/52/83/1136145283.db2.gz PYESNYWQWWXXTP-HWPZZCPQSA-N -1 0 329.783 3.702 20 0 EHADRM CC(C(=O)N(C(C)C)C(C)C)=S([O-])c1cccc(C(F)(F)F)c1 ZINC000107996446 1136181261 /nfs/dbraw/zinc/18/12/61/1136181261.db2.gz JIWRFPANEPTRPC-SFDCACGMSA-N -1 0 349.418 3.847 20 0 EHADRM O=C(CSc1cccc(C(F)(F)F)c1)[N-]OC/C=C\Cl ZINC000812403054 1136202077 /nfs/dbraw/zinc/20/20/77/1136202077.db2.gz JECVRITXJXJCEH-DJWKRKHSSA-N -1 0 325.739 3.598 20 0 EHADRM CC(C)(C(=O)[N-]OC/C=C/Cl)c1ccc(OC(F)(F)F)cc1 ZINC000812402595 1136202426 /nfs/dbraw/zinc/20/24/26/1136202426.db2.gz GZDQYYISPJCWDO-FPYGCLRLSA-N -1 0 337.725 3.663 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccc(Cl)s1)C1CC2(C1)CCCCC2 ZINC000850732113 1136298408 /nfs/dbraw/zinc/29/84/08/1136298408.db2.gz QOVXMSCVVWVKTE-UHFFFAOYSA-N -1 0 347.889 3.567 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(Cl)nc1Cl ZINC000109687649 1136328642 /nfs/dbraw/zinc/32/86/42/1136328642.db2.gz AILBSCAERXIAST-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM CC1=CC[C@@](C)(C(=O)[N-]S(=O)(=O)c2csc3ccccc32)CC1 ZINC000851018218 1136329122 /nfs/dbraw/zinc/32/91/22/1136329122.db2.gz KHSYPTXMDBBMHH-QGZVFWFLSA-N -1 0 349.477 3.843 20 0 EHADRM O=C(O[C@@H]1C[C@@H]([N-]C(=O)C(F)(F)F)c2ccccc21)C1=CCCC1 ZINC000851176054 1136346435 /nfs/dbraw/zinc/34/64/35/1136346435.db2.gz MPHYUKLTESYGRI-ZIAGYGMSSA-N -1 0 339.313 3.505 20 0 EHADRM CC1(C(=O)O[C@@H]2C[C@@H]([N-]C(=O)C(F)(F)F)c3ccccc32)CCC1 ZINC000851176913 1136346592 /nfs/dbraw/zinc/34/65/92/1136346592.db2.gz RQQVLBARNKSPAP-CHWSQXEVSA-N -1 0 341.329 3.584 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCC1CCCCC1 ZINC000814019996 1136387165 /nfs/dbraw/zinc/38/71/65/1136387165.db2.gz PBMUWQGAAHKHDT-QGZVFWFLSA-N -1 0 337.485 3.944 20 0 EHADRM CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)[C@H](CC)c1ccccc1 ZINC000814019386 1136387219 /nfs/dbraw/zinc/38/72/19/1136387219.db2.gz JBXLXLYLIXSAAD-GDBMZVCRSA-N -1 0 325.474 3.800 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851593681 1136395009 /nfs/dbraw/zinc/39/50/09/1136395009.db2.gz AODYONLBBYJBBK-IEZBTEQYSA-N -1 0 341.407 3.864 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N2CCCC[C@H]2Cc2ccccc2)o1 ZINC000851593619 1136395183 /nfs/dbraw/zinc/39/51/83/1136395183.db2.gz BDMSTRRZLWPSOR-TYZQSYOASA-N -1 0 339.391 3.615 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)NCC2(c3ccccc3)CCCC2)o1 ZINC000851594912 1136395478 /nfs/dbraw/zinc/39/54/78/1136395478.db2.gz NBIIXZOBLKRSFQ-PKNBQFBNSA-N -1 0 339.391 3.619 20 0 EHADRM CC1(C)CN(C(=O)c2ccc3oc(=S)[n-]c3c2)[C@@H]1c1cccnc1 ZINC000852966622 1136494857 /nfs/dbraw/zinc/49/48/57/1136494857.db2.gz YIJGIXPSFXMLKI-OAHLLOKOSA-N -1 0 339.420 3.735 20 0 EHADRM CCCCN(C)c1ccc(NC(=O)NC[C@@H](C(=O)[O-])C2CCC2)cc1 ZINC000853092698 1136507611 /nfs/dbraw/zinc/50/76/11/1136507611.db2.gz IYYGPOMFHFSDNR-QGZVFWFLSA-N -1 0 347.459 3.545 20 0 EHADRM Cc1cc(C)cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2F)c1 ZINC000776657127 1136526868 /nfs/dbraw/zinc/52/68/68/1136526868.db2.gz AJSLGSFXGNXFSX-INIZCTEOSA-N -1 0 333.334 3.527 20 0 EHADRM C/C(=C/C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1F)c1ccccc1 ZINC000776659869 1136529419 /nfs/dbraw/zinc/52/94/19/1136529419.db2.gz SMLXEEKHIRPLHY-GKUQOKNUSA-N -1 0 345.345 3.700 20 0 EHADRM CC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000112158984 1136608036 /nfs/dbraw/zinc/60/80/36/1136608036.db2.gz UKIHJLJNDZRPRT-UHFFFAOYSA-N -1 0 331.437 3.595 20 0 EHADRM C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000854780450 1136643217 /nfs/dbraw/zinc/64/32/17/1136643217.db2.gz QQBZVMMOIHDIPV-WPRPVWTQSA-N -1 0 344.358 3.920 20 0 EHADRM CC(C)[C@@H](CO)O[N-]C(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000854828554 1136646250 /nfs/dbraw/zinc/64/62/50/1136646250.db2.gz ZLJQCEXYAYZSSS-MSOLQXFVSA-N -1 0 347.842 3.537 20 0 EHADRM CC(C)(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1csc2ccccc21 ZINC000816082723 1136670897 /nfs/dbraw/zinc/67/08/97/1136670897.db2.gz NMALZZNHKWDJGW-UHFFFAOYSA-N -1 0 339.482 3.779 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)/C=C1/CC[C@@H](C)C1 ZINC000816113017 1136677686 /nfs/dbraw/zinc/67/76/86/1136677686.db2.gz IIBVGTRQDOIVFM-BXALDVQMSA-N -1 0 335.469 3.576 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCC(C)(C)C ZINC000816112505 1136678178 /nfs/dbraw/zinc/67/81/78/1136678178.db2.gz WILWQOIWAOEYFP-MRXNPFEDSA-N -1 0 325.474 3.656 20 0 EHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCC(c2ccco2)CC1 ZINC000855291723 1136682873 /nfs/dbraw/zinc/68/28/73/1136682873.db2.gz PMCJBEZITSNRTF-UHFFFAOYSA-N -1 0 328.393 3.729 20 0 EHADRM CCOc1ccc(CN(C)C(=O)c2ccc3oc(=S)[n-]c3c2)cc1 ZINC001135420178 1136684880 /nfs/dbraw/zinc/68/48/80/1136684880.db2.gz QSVNLMSWDVVPLL-UHFFFAOYSA-N -1 0 342.420 3.787 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000113696739 1136734461 /nfs/dbraw/zinc/73/44/61/1136734461.db2.gz QXPNMDYWMGDJSA-MSOLQXFVSA-N -1 0 345.464 3.578 20 0 EHADRM COc1ccc(-c2nc(C)c([C@@H](C)[N-]C(=O)C(F)(F)F)s2)cc1 ZINC000113917701 1136754502 /nfs/dbraw/zinc/75/45/02/1136754502.db2.gz VNSHWQCMFAUVOX-SECBINFHSA-N -1 0 344.358 3.867 20 0 EHADRM O=C(NCCOc1ccc(Cl)cc1)c1ccc2oc(=S)[n-]c2c1 ZINC000816822787 1136758223 /nfs/dbraw/zinc/75/82/23/1136758223.db2.gz WKRIUYJRDIPYLL-UHFFFAOYSA-N -1 0 348.811 3.579 20 0 EHADRM O=C(NCCOc1cccc(Cl)c1)c1ccc2oc(=S)[n-]c2c1 ZINC000816883118 1136763508 /nfs/dbraw/zinc/76/35/08/1136763508.db2.gz ULMUOGPLFPSSCP-UHFFFAOYSA-N -1 0 348.811 3.579 20 0 EHADRM CC(C)(CNC(=O)c1ccc2[n-]c(=S)oc2c1)CC(F)(F)F ZINC000856520109 1136792001 /nfs/dbraw/zinc/79/20/01/1136792001.db2.gz TVHGPDZWYJVGDI-UHFFFAOYSA-N -1 0 332.347 3.825 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)c2ccc(Cl)c3ncccc23)s[n-]1 ZINC000509497081 1136820855 /nfs/dbraw/zinc/82/08/55/1136820855.db2.gz ZFRLHUUEYKIOHH-UHFFFAOYSA-N -1 0 346.843 3.711 20 0 EHADRM CCCC[C@@H](C(=O)[N-]S(=O)(=O)c1sccc1Cl)C(C)C ZINC000857032633 1136835081 /nfs/dbraw/zinc/83/50/81/1136835081.db2.gz TUDIFLUJKMUSAJ-SNVBAGLBSA-N -1 0 337.894 3.669 20 0 EHADRM CCCCCC[C@H](C)NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC001136023506 1136839086 /nfs/dbraw/zinc/83/90/86/1136839086.db2.gz ZTUCMKPTRFNHIC-ZDUSSCGKSA-N -1 0 333.407 3.806 20 0 EHADRM COc1c(F)cc(F)cc1NC(=O)c1snc(Cl)c1Cl ZINC000857469923 1136874816 /nfs/dbraw/zinc/87/48/16/1136874816.db2.gz YVCGOWNSLKSTCO-UHFFFAOYSA-N -1 0 339.150 3.989 20 0 EHADRM O=C(NCc1c(F)cc(F)cc1F)c1cc(F)cc(Cl)c1[O-] ZINC000857513185 1136879403 /nfs/dbraw/zinc/87/94/03/1136879403.db2.gz WKAYAHZPQVNGKE-UHFFFAOYSA-N -1 0 333.668 3.532 20 0 EHADRM C[C@@H]1CCC[C@H](NC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])C1 ZINC001136204137 1136929219 /nfs/dbraw/zinc/92/92/19/1136929219.db2.gz FLIXJVJANXFSEF-YPMHNXCESA-N -1 0 333.819 3.540 20 0 EHADRM C[C@@H]1CCC[C@H](NC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])C1 ZINC001136204402 1136929505 /nfs/dbraw/zinc/92/95/05/1136929505.db2.gz NDBULQLPLBUTHD-YPMHNXCESA-N -1 0 333.819 3.540 20 0 EHADRM CC(=O)N(c1ccc(NC(=O)c2cccc(F)c2[O-])cc1)[C@H]1C[C@H]1C ZINC000820747116 1137004839 /nfs/dbraw/zinc/00/48/39/1137004839.db2.gz MZKUZPFIQCCVQB-DIFFPNOSSA-N -1 0 342.370 3.545 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)C[C@@H](C)c2ccccc2C)c1 ZINC000116590929 1137005576 /nfs/dbraw/zinc/00/55/76/1137005576.db2.gz VXNJTYMERIYUOG-MRXNPFEDSA-N -1 0 345.464 3.611 20 0 EHADRM O=C(OCCC1=CCCCC1)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC000860311494 1137054671 /nfs/dbraw/zinc/05/46/71/1137054671.db2.gz VIYMJKBFTSZTIR-UHFFFAOYSA-N -1 0 345.317 3.505 20 0 EHADRM Cc1cc(C=O)c([O-])c(C(=O)Nc2c(F)cccc2N2CCCC2)c1 ZINC001136618022 1137071321 /nfs/dbraw/zinc/07/13/21/1137071321.db2.gz VDGPTYLTYCFCIZ-UHFFFAOYSA-N -1 0 342.370 3.505 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000013432669 1137082102 /nfs/dbraw/zinc/08/21/02/1137082102.db2.gz NUVGBKXYTJCBCJ-UHFFFAOYSA-N -1 0 337.297 3.893 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)c1cc(=O)n(C)[n-]1)[C@H]1CCC[C@H](C)C1 ZINC001136732389 1137104077 /nfs/dbraw/zinc/10/40/77/1137104077.db2.gz WPJHICJERORKBR-ZUEVXXBESA-N -1 0 341.455 3.732 20 0 EHADRM CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000823589887 1137105301 /nfs/dbraw/zinc/10/53/01/1137105301.db2.gz OPOPRRGFRNWXDS-VXGBXAGGSA-N -1 0 331.416 3.511 20 0 EHADRM O=C(c1cc(Br)cc(F)c1[O-])N1CCC[C@@H]2CCC[C@@H]21 ZINC001136780192 1137115295 /nfs/dbraw/zinc/11/52/95/1137115295.db2.gz UEAIVHFXRWIPHZ-ZANVPECISA-N -1 0 342.208 3.699 20 0 EHADRM O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1cccc(Br)c1[O-] ZINC001136786265 1137116273 /nfs/dbraw/zinc/11/62/73/1137116273.db2.gz XEWGWCWQOGLBGX-QJPTWQEYSA-N -1 0 338.245 3.853 20 0 EHADRM C[C@H]1CCCC[C@H]1CCNC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC001136790672 1137118187 /nfs/dbraw/zinc/11/81/87/1137118187.db2.gz BWCGEIMTKQAQNS-GJZGRUSLSA-N -1 0 327.428 3.524 20 0 EHADRM CC[C@@H](C)CO[N-]C(=O)c1ccc(-c2cccc(Cl)c2)[nH]c1=O ZINC000861810059 1137121340 /nfs/dbraw/zinc/12/13/40/1137121340.db2.gz ZUTUNLRADMRXOW-LLVKDONJSA-N -1 0 334.803 3.815 20 0 EHADRM O=C(Nc1nc2ccccc2s1)c1ccc2[n-]c(=S)oc2c1 ZINC000118761465 1137131165 /nfs/dbraw/zinc/13/11/65/1137131165.db2.gz XRTVYSRRVFOGNJ-UHFFFAOYSA-N -1 0 327.390 3.979 20 0 EHADRM CCc1cc(Cl)cnc1[N-]S(=O)(=O)c1cc(C)sc1C ZINC000863450953 1137187116 /nfs/dbraw/zinc/18/71/16/1137187116.db2.gz QPIMDIJXRYHVPU-UHFFFAOYSA-N -1 0 330.862 3.777 20 0 EHADRM Cc1ccc(C(=O)N2CCS[C@@H](c3ccccc3)C2)cc1C(=O)[O-] ZINC000864110371 1137215455 /nfs/dbraw/zinc/21/54/55/1137215455.db2.gz CCDRSCYRQSKILZ-QGZVFWFLSA-N -1 0 341.432 3.624 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N2CCCC[C@@H]2Cc2ccccc2)o1 ZINC000864107418 1137215499 /nfs/dbraw/zinc/21/54/99/1137215499.db2.gz IJWGSTUMLUYRDV-UILAEWCASA-N -1 0 339.391 3.615 20 0 EHADRM Cc1c(NC(=O)/C=C/c2cc(C(=O)[O-])co2)sc2c1CCCC2 ZINC000864113646 1137215855 /nfs/dbraw/zinc/21/58/55/1137215855.db2.gz VKMKHNXHFPZIDW-VOTSOKGWSA-N -1 0 331.393 3.878 20 0 EHADRM Cc1ccc(C[C@@H](C)N(C)C(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000864130756 1137216492 /nfs/dbraw/zinc/21/64/92/1137216492.db2.gz ZQPHUMWLGQYDDF-OAHLLOKOSA-N -1 0 325.408 3.705 20 0 EHADRM C[C@H](CCc1ccc(F)cc1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000864132732 1137216642 /nfs/dbraw/zinc/21/66/42/1137216642.db2.gz FRZLTDBRYXJOPD-CYBMUJFWSA-N -1 0 329.371 3.660 20 0 EHADRM C[C@H](CNC(=O)Cc1coc2c1ccc(Cl)c2Cl)CC(=O)[O-] ZINC000864132236 1137216751 /nfs/dbraw/zinc/21/67/51/1137216751.db2.gz NGZFWICHEPLEKE-QMMMGPOBSA-N -1 0 344.194 3.509 20 0 EHADRM CC1(C)[C@@H](c2ccccc2)CCN1C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000864148756 1137217230 /nfs/dbraw/zinc/21/72/30/1137217230.db2.gz GCIGWNGOCMRROI-XZVRFQMRSA-N -1 0 339.391 3.786 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)Nc2cccc(C3CCOCC3)c2)o1 ZINC000864174639 1137217939 /nfs/dbraw/zinc/21/79/39/1137217939.db2.gz VCJDZTAOMHUCRS-FNORWQNLSA-N -1 0 341.363 3.524 20 0 EHADRM C[C@@](Cc1ccc(Cl)cc1)(NC(=O)C=C(C1CC1)C1CC1)C(=O)[O-] ZINC000864196781 1137218630 /nfs/dbraw/zinc/21/86/30/1137218630.db2.gz STOXDZWGEFQHDZ-IBGZPJMESA-N -1 0 347.842 3.588 20 0 EHADRM CCC[C@H](C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21)c1ccccn1 ZINC000864227125 1137219288 /nfs/dbraw/zinc/21/92/88/1137219288.db2.gz CGKLJVUEQWYSSY-ZBFHGGJFSA-N -1 0 338.407 3.570 20 0 EHADRM CCCc1ccc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)s1 ZINC000864229285 1137219298 /nfs/dbraw/zinc/21/92/98/1137219298.db2.gz WGSNXCSMTBAKAJ-GFCCVEGCSA-N -1 0 329.421 3.919 20 0 EHADRM O=C([O-])c1cc(NC(=O)CC[C@H]2CCCCO2)cc2ccccc21 ZINC000864225889 1137219377 /nfs/dbraw/zinc/21/93/77/1137219377.db2.gz LRVOZWBGFUGTQW-OAHLLOKOSA-N -1 0 327.380 3.826 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)Nc1cccc(SC(F)(F)F)c1)C1CC1 ZINC000864583983 1137235575 /nfs/dbraw/zinc/23/55/75/1137235575.db2.gz FSWWWBVKLVFSTI-MRVPVSSYSA-N -1 0 348.346 3.768 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2Cc3ccc(-c4ccc(C(F)(F)F)cc4CO)cc3[C@@H]21 ZINC000864610765 1137236378 /nfs/dbraw/zinc/23/63/78/1137236378.db2.gz STGPLLNSICTHOW-IXDOHACOSA-N -1 0 348.320 3.835 20 0 EHADRM CCOc1c(OC)cc(C(=O)[O-])cc1-c1ccc(C2(O)CCC2)cc1 ZINC000864612408 1137236747 /nfs/dbraw/zinc/23/67/47/1137236747.db2.gz NHRPBEMTCOWCIA-UHFFFAOYSA-N -1 0 342.391 3.831 20 0 EHADRM Cc1ncc(S(=O)(=O)[N-]c2ccccc2-c2cccs2)s1 ZINC000339070590 1137241591 /nfs/dbraw/zinc/24/15/91/1137241591.db2.gz BEIFRJDFANPPIF-UHFFFAOYSA-N -1 0 336.463 3.981 20 0 EHADRM CCCOc1ccc(Cl)cc1[N-]S(=O)(=O)c1cnc(C)s1 ZINC000339073087 1137275945 /nfs/dbraw/zinc/27/59/45/1137275945.db2.gz UDJMPOKVNWYZMC-UHFFFAOYSA-N -1 0 346.861 3.695 20 0 EHADRM O=C([N-]S(=O)(=O)c1csc2ccccc21)[C@H]1C[C@@H]1C1CCCC1 ZINC000845567632 1137298308 /nfs/dbraw/zinc/29/83/08/1137298308.db2.gz YOZJNSGAOHPWJW-KGLIPLIRSA-N -1 0 349.477 3.533 20 0 EHADRM Cc1c(C(=O)[O-])cnn1-c1cccc(NC(=O)/C=C/C2CCCC2)c1 ZINC000846118282 1137334240 /nfs/dbraw/zinc/33/42/40/1137334240.db2.gz WQMVAAHAQKJGDJ-MDZDMXLPSA-N -1 0 339.395 3.564 20 0 EHADRM COC[C@H]([N-]c1nnc(C(F)F)o1)c1cccc(Br)c1 ZINC000866244280 1137338768 /nfs/dbraw/zinc/33/87/68/1137338768.db2.gz ZTTGQYAMCXTIOJ-VIFPVBQESA-N -1 0 348.147 3.569 20 0 EHADRM CC(C)[C@H]1CCC[C@H](NC(=O)c2nn(-c3ccccc3F)cc2[O-])C1 ZINC001144745646 1137341991 /nfs/dbraw/zinc/34/19/91/1137341991.db2.gz IVEVBMWYLFYFML-KBPBESRZSA-N -1 0 345.418 3.662 20 0 EHADRM O=C([O-])[C@]12CCC[C@@H]1C[N@H+](Cc1csc(-c3ccc(F)cc3)n1)C2 ZINC000846283863 1137345154 /nfs/dbraw/zinc/34/51/54/1137345154.db2.gz JCRRWFBUNDQVJM-ACJLOTCBSA-N -1 0 346.427 3.636 20 0 EHADRM CCn1nc(C)c(C(=O)Nc2ccc3[n-]c(=S)oc3c2)c1Cl ZINC000121126332 1137367601 /nfs/dbraw/zinc/36/76/01/1137367601.db2.gz QOAXITVRHGNRGX-UHFFFAOYSA-N -1 0 336.804 3.547 20 0 EHADRM CCOC(=O)CCCCCCCNC(=O)c1cccc(Cl)c1[O-] ZINC001148609641 1137428634 /nfs/dbraw/zinc/42/86/34/1137428634.db2.gz HWDKPFFSDBMOGE-UHFFFAOYSA-N -1 0 341.835 3.679 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(C3SCCS3)c2)o1 ZINC000773232509 1137480654 /nfs/dbraw/zinc/48/06/54/1137480654.db2.gz HZXKLYWDLOVHRZ-UHFFFAOYSA-N -1 0 341.479 3.867 20 0 EHADRM CC1(C)COC(c2ccccc2Nc2cc(F)c(C(=O)[O-])c(F)c2)=N1 ZINC001203334454 1137496536 /nfs/dbraw/zinc/49/65/36/1137496536.db2.gz UKFXGRMAGHWORA-UHFFFAOYSA-N -1 0 346.333 3.962 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCC[C@@](F)(c2ccccc2)C1 ZINC000871372222 1137539914 /nfs/dbraw/zinc/53/99/14/1137539914.db2.gz OYAVQFSGEYWAQO-SFHVURJKSA-N -1 0 335.325 3.771 20 0 EHADRM S=c1[n-]c2ccc(-c3noc(-c4n[nH]cc4Cl)n3)cc2s1 ZINC001212660474 1137556575 /nfs/dbraw/zinc/55/65/75/1137556575.db2.gz YVUIPJVPMUMXBW-UHFFFAOYSA-N -1 0 335.801 3.679 20 0 EHADRM CCc1ccc(CS(=O)(=O)Nc2ccc(C)c(C(=O)[O-])c2C)cc1 ZINC000871774788 1137558023 /nfs/dbraw/zinc/55/80/23/1137558023.db2.gz GQRFZQSJDCTGQF-UHFFFAOYSA-N -1 0 347.436 3.506 20 0 EHADRM COc1cc(CNc2ccc(C)c(C(=O)[O-])c2C)cc(OC)c1OC ZINC000871883737 1137562425 /nfs/dbraw/zinc/56/24/25/1137562425.db2.gz WKFGIYJULHIMPU-UHFFFAOYSA-N -1 0 345.395 3.640 20 0 EHADRM O=C([O-])C[C@H](NCc1csc(C2CC2)n1)c1ccccc1Cl ZINC000871883751 1137562501 /nfs/dbraw/zinc/56/25/01/1137562501.db2.gz WUZSVWZVAVHEJR-AWEZNQCLSA-N -1 0 336.844 3.980 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cnn(C(F)F)c2)cc1F ZINC000872363397 1137578873 /nfs/dbraw/zinc/57/88/73/1137578873.db2.gz XMUGAGJTMDZUMT-UHFFFAOYSA-N -1 0 347.362 3.516 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2sccc2C(F)F)C1 ZINC000872718466 1137583192 /nfs/dbraw/zinc/58/31/92/1137583192.db2.gz SRWATUMVKSTTKI-VIFPVBQESA-N -1 0 331.384 3.649 20 0 EHADRM C[C@@H](NC(=O)c1cccc(OC(C)(C)C)c1)c1ncc(C(=O)[O-])s1 ZINC000872736327 1137583440 /nfs/dbraw/zinc/58/34/40/1137583440.db2.gz OTCWCTVXYIUUKC-SNVBAGLBSA-N -1 0 348.424 3.510 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1sccc1C(F)F)C1CCCCC1 ZINC000872738786 1137583617 /nfs/dbraw/zinc/58/36/17/1137583617.db2.gz RVZCUTJXDOWAMH-NSHDSACASA-N -1 0 331.384 3.697 20 0 EHADRM Cc1cc(NC(=O)C(C)(C)SCC(=O)[O-])ccc1C(F)(F)F ZINC000872850474 1137585583 /nfs/dbraw/zinc/58/55/83/1137585583.db2.gz UMOVCWHSZSGPQK-UHFFFAOYSA-N -1 0 335.347 3.549 20 0 EHADRM Cc1ccc(-c2cccnc2)cc1NC(=O)C1=C(C(=O)[O-])CCCC1 ZINC000872862785 1137585805 /nfs/dbraw/zinc/58/58/05/1137585805.db2.gz LJLTVOLOWSFOFE-UHFFFAOYSA-N -1 0 336.391 3.951 20 0 EHADRM CC[C@H](NC(=O)C(C)(C)SCC(=O)[O-])c1ccc(Cl)cc1 ZINC000872889972 1137586072 /nfs/dbraw/zinc/58/60/72/1137586072.db2.gz OPNUGQHEEDDFSU-LBPRGKRZSA-N -1 0 329.849 3.504 20 0 EHADRM C[C@@H](c1ccccc1)N(C)C(=O)C[C@]1(C(=O)[O-])CCc2ccccc21 ZINC000872887913 1137586130 /nfs/dbraw/zinc/58/61/30/1137586130.db2.gz QVNGERWQKLJTON-YCRPNKLZSA-N -1 0 337.419 3.565 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)C(C)(C)CCC(=O)[O-])c1nc2ccccc2[nH]1 ZINC000872906455 1137586371 /nfs/dbraw/zinc/58/63/71/1137586371.db2.gz BQFZQNOLYSPGSS-MLGOLLRUSA-N -1 0 345.443 3.657 20 0 EHADRM Cc1cnc(-c2cccc(NC(=O)C3=C(C(=O)[O-])CCCC3)c2)o1 ZINC000872925806 1137586629 /nfs/dbraw/zinc/58/66/29/1137586629.db2.gz CAAHGLBSOSLCAG-UHFFFAOYSA-N -1 0 326.352 3.544 20 0 EHADRM C[C@@H](c1nc2ccccc2s1)N(C)C(=O)C1=C(C(=O)[O-])CCCC1 ZINC000872956924 1137586985 /nfs/dbraw/zinc/58/69/85/1137586985.db2.gz WAHUTJPPGCKHDG-NSHDSACASA-N -1 0 344.436 3.771 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000874409520 1137613758 /nfs/dbraw/zinc/61/37/58/1137613758.db2.gz OTNRNRKTJSXAET-QGZVFWFLSA-N -1 0 342.370 3.571 20 0 EHADRM Cc1csc([C@@H]2CCN(C(=O)c3ccc4[n-]c(=S)oc4c3)C2)n1 ZINC000874492030 1137615899 /nfs/dbraw/zinc/61/58/99/1137615899.db2.gz BGPFYUBAKCIOIQ-LLVKDONJSA-N -1 0 345.449 3.511 20 0 EHADRM O=Cc1ccc(-c2ccc(-c3nc(C(=O)[O-])co3)c(F)c2)cc1F ZINC000874973737 1137627330 /nfs/dbraw/zinc/62/73/30/1137627330.db2.gz VEUNEQKVWFFYPE-UHFFFAOYSA-N -1 0 329.258 3.798 20 0 EHADRM CN(Cc1nnc(-c2ccccc2O)o1)[C@@H]1CCCc2ccccc21 ZINC000877902479 1137694848 /nfs/dbraw/zinc/69/48/48/1137694848.db2.gz BAZUVOWWRUMHMD-QGZVFWFLSA-N -1 0 335.407 3.952 20 0 EHADRM C[N@H+](CC[C@@H]1CCCC1(F)F)Cc1nc(=O)c2sccc2[n-]1 ZINC000878443881 1137716211 /nfs/dbraw/zinc/71/62/11/1137716211.db2.gz UOCDFWARXKXIKP-JTQLQIEISA-N -1 0 327.400 3.654 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)s1 ZINC000829668639 1137744933 /nfs/dbraw/zinc/74/49/33/1137744933.db2.gz SGVORFOCTXMOTE-UHFFFAOYSA-N -1 0 336.482 3.766 20 0 EHADRM C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000879359293 1137745316 /nfs/dbraw/zinc/74/53/16/1137745316.db2.gz RFEJBBZCUOTHEA-WPPNPWJKSA-N -1 0 340.210 3.727 20 0 EHADRM COc1ccc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c(OC)c1 ZINC000130106786 1137834122 /nfs/dbraw/zinc/83/41/22/1137834122.db2.gz HDARQRMOGWEJQA-UHFFFAOYSA-N -1 0 342.178 3.969 20 0 EHADRM CC(C(=O)N(C(C)C)C(C)C)=S([O-])c1ccc2ccccc2c1 ZINC000108007832 1137888465 /nfs/dbraw/zinc/88/84/65/1137888465.db2.gz FAUNMXSSEYDLRN-WNSKOXEYSA-N -1 0 331.481 3.981 20 0 EHADRM CCCc1nc(=NC(=O)c2sc(C3CCCC3)nc2C)s[n-]1 ZINC000331374967 1137892086 /nfs/dbraw/zinc/89/20/86/1137892086.db2.gz CRSCOQUSPGZKHS-UHFFFAOYSA-N -1 0 336.486 3.587 20 0 EHADRM CC[C@@H](NC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1)c1nccs1 ZINC000348280743 1137893089 /nfs/dbraw/zinc/89/30/89/1137893089.db2.gz IJWBNYYXXFGMSL-CXAGYDPISA-N -1 0 338.473 3.772 20 0 EHADRM O=C(OCc1ccc(Cl)nc1Cl)c1c(F)cc([O-])cc1F ZINC000800170591 1137900773 /nfs/dbraw/zinc/90/07/73/1137900773.db2.gz VJHUJNAJUXESEJ-UHFFFAOYSA-N -1 0 334.105 3.729 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N2CCC[C@@H]2c2cccc(C)c2)s1 ZINC000331492186 1137910362 /nfs/dbraw/zinc/91/03/62/1137910362.db2.gz GKGJFRJUMMCCEF-CYBMUJFWSA-N -1 0 348.497 3.749 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2C[C@H](C)C[C@H]2c2cccc(F)c2)s1 ZINC000331566078 1137912797 /nfs/dbraw/zinc/91/27/97/1137912797.db2.gz QGMSIWYIKRODBY-RISCZKNCSA-N -1 0 348.447 3.667 20 0 EHADRM CCC(C)(C)[C@@H]1CCCN1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000332155979 1137933871 /nfs/dbraw/zinc/93/38/71/1137933871.db2.gz PVTQJTOBIOMSGW-INIZCTEOSA-N -1 0 345.418 3.758 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2[C@H](C)CC[C@H]2CC)n1 ZINC000332159665 1137933945 /nfs/dbraw/zinc/93/39/45/1137933945.db2.gz VAJCKEQROPDMEG-UKRRQHHQSA-N -1 0 327.428 3.543 20 0 EHADRM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C ZINC000332177537 1137934547 /nfs/dbraw/zinc/93/45/47/1137934547.db2.gz CYPBWYCNAWMBNK-LLVKDONJSA-N -1 0 339.848 3.543 20 0 EHADRM C[C@@H](C1CCCCC1)N(C)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000332391638 1137942515 /nfs/dbraw/zinc/94/25/15/1137942515.db2.gz ZSYMHGSHMZZZGI-AWEZNQCLSA-N -1 0 327.428 3.619 20 0 EHADRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N(C)[C@H]3CCCC[C@H]3C)n2)c1 ZINC000332645371 1137950028 /nfs/dbraw/zinc/95/00/28/1137950028.db2.gz IQPCQEVAVSRBAQ-HIFRSBDPSA-N -1 0 345.418 3.676 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(F)nc2F)s1 ZINC000886412900 1138073668 /nfs/dbraw/zinc/07/36/68/1138073668.db2.gz WKPKMUTTWIRDIM-UHFFFAOYSA-N -1 0 332.397 3.520 20 0 EHADRM C[C@@H](CC1CCCCC1)C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000074426105 1138120501 /nfs/dbraw/zinc/12/05/01/1138120501.db2.gz ADMLZQMZQUYJQL-LBPRGKRZSA-N -1 0 347.484 3.550 20 0 EHADRM O=C(NCC1(c2cccc(Cl)c2)CC1)c1s[n-]c(=O)c1Cl ZINC000282968944 1138183534 /nfs/dbraw/zinc/18/35/34/1138183534.db2.gz GEEBOEHSOVYTSR-UHFFFAOYSA-N -1 0 343.235 3.617 20 0 EHADRM CC(C)(CNC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1)CC(F)F ZINC000887312595 1138261409 /nfs/dbraw/zinc/26/14/09/1138261409.db2.gz VDJQMNJGCBLDEH-QGZVFWFLSA-N -1 0 333.419 3.845 20 0 EHADRM O=C([O-])CC1(CC(=O)NCC[C@@H]2CCCC2(F)F)CCCCC1 ZINC000887314015 1138262024 /nfs/dbraw/zinc/26/20/24/1138262024.db2.gz QETBOGWBQCRAPC-ZDUSSCGKSA-N -1 0 331.403 3.743 20 0 EHADRM CC(C)(CC(=O)NC(C)(C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000887315640 1138262581 /nfs/dbraw/zinc/26/25/81/1138262581.db2.gz YZXHXODQDLUVRG-UHFFFAOYSA-N -1 0 331.334 3.558 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1C(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC000887316310 1138262856 /nfs/dbraw/zinc/26/28/56/1138262856.db2.gz NXNRFMNSXNFJPB-QJPTWQEYSA-N -1 0 333.281 3.699 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2cccc(F)c2Br)CCC1 ZINC000887316016 1138262960 /nfs/dbraw/zinc/26/29/60/1138262960.db2.gz IEIUDWCJWFGLPW-UHFFFAOYSA-N -1 0 344.180 3.562 20 0 EHADRM O=S(=O)(N[C@@H]1CCOC2(CCCCC2)C1)c1sccc1Cl ZINC000333376726 1138282629 /nfs/dbraw/zinc/28/26/29/1138282629.db2.gz DYNRWQZWPCECMU-LLVKDONJSA-N -1 0 349.905 3.562 20 0 EHADRM CCCOc1ccc(NC(=O)N2CC3CC2(C(=O)[O-])C3)cc1C(C)C ZINC000887382975 1138294564 /nfs/dbraw/zinc/29/45/64/1138294564.db2.gz XXEFBNWOIGYGOD-UHFFFAOYSA-N -1 0 346.427 3.680 20 0 EHADRM O=c1nc(CN2CC[C@@H](c3ccccc3F)C2)[n-]c2ccsc21 ZINC000264463782 1138524835 /nfs/dbraw/zinc/52/48/35/1138524835.db2.gz PKYWCVJCVBPFGG-LLVKDONJSA-N -1 0 329.400 3.526 20 0 EHADRM C[N@H+](Cc1nc(=O)c2sccc2[n-]1)[C@H]1CCCc2ccc(F)cc21 ZINC000131850280 1138545898 /nfs/dbraw/zinc/54/58/98/1138545898.db2.gz RGMBDUJIMDFFQJ-HNNXBMFYSA-N -1 0 343.427 3.633 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)cc1 ZINC000132004447 1138556616 /nfs/dbraw/zinc/55/66/16/1138556616.db2.gz UEKXEAGMPGUSTJ-QKFKETGDSA-N -1 0 349.883 3.976 20 0 EHADRM Cc1ccc(C)c(S([O-])=CC(=O)N(C)[C@H](C)c2ccc(F)cc2)c1 ZINC000264576732 1138564362 /nfs/dbraw/zinc/56/43/62/1138564362.db2.gz UVVCYWFEPNQHFA-MYYSRTQBSA-N -1 0 347.455 3.770 20 0 EHADRM C[C@H](CC(=O)N(CC(=O)[O-])c1ccccc1)Cc1cccc(F)c1 ZINC000337737127 1138656033 /nfs/dbraw/zinc/65/60/33/1138656033.db2.gz JFUZHRNKEVJEJD-AWEZNQCLSA-N -1 0 329.371 3.512 20 0 EHADRM O=C([O-])CN(C(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl)c1ccccc1 ZINC000337751449 1138659156 /nfs/dbraw/zinc/65/91/56/1138659156.db2.gz QFTGRGLXYCGVLI-STQMWFEESA-N -1 0 347.773 3.700 20 0 EHADRM CC[C@H](Oc1ccccc1Cl)C(=O)N(CC(=O)[O-])c1ccccc1 ZINC000337758032 1138660843 /nfs/dbraw/zinc/66/08/43/1138660843.db2.gz UPAWEPNJJMXPSH-HNNXBMFYSA-N -1 0 347.798 3.615 20 0 EHADRM Cc1cncc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)c1 ZINC000337785109 1138667438 /nfs/dbraw/zinc/66/74/38/1138667438.db2.gz WPZPIOOOVMFXBQ-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM CCn1c(S[C@H](C)c2nc(C)cc(=O)[nH]2)nnc1-c1ccccc1 ZINC000134904858 1138712075 /nfs/dbraw/zinc/71/20/75/1138712075.db2.gz VVOIICJKHXISLZ-GFCCVEGCSA-N -1 0 341.440 3.622 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000826634134 1139196357 /nfs/dbraw/zinc/19/63/57/1139196357.db2.gz YLDKJEDFOYRELG-WBMJQRKESA-N -1 0 334.416 3.692 20 0 EHADRM CCCCC[C@H](CC)C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000179695870 1139775817 /nfs/dbraw/zinc/77/58/17/1139775817.db2.gz AGRAIBDCYJQRFK-LBPRGKRZSA-N -1 0 335.473 3.550 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CCC[C@@H]2c2ccccc2Cl)C1 ZINC000180112264 1139810513 /nfs/dbraw/zinc/81/05/13/1139810513.db2.gz XRAXPBBDGFSUNR-DVOMOZLQSA-N -1 0 335.831 3.895 20 0 EHADRM CCCCCC[C@](C)(NC(=O)[C@@H]1C[C@H]1c1cccc(OC)c1)C(=O)[O-] ZINC000777372222 1139913786 /nfs/dbraw/zinc/91/37/86/1139913786.db2.gz OGYMKSBKAGVBEN-QKLQHJQFSA-N -1 0 347.455 3.729 20 0 EHADRM CCC(CC)c1nnc(NC(=O)c2cc(F)c(F)c([O-])c2F)s1 ZINC000183458409 1140039710 /nfs/dbraw/zinc/03/97/10/1140039710.db2.gz MVPVCKDMLKCJAY-UHFFFAOYSA-N -1 0 345.346 3.817 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N(Cc1cccc(O)c1)CC1CC1 ZINC000184498187 1140106061 /nfs/dbraw/zinc/10/60/61/1140106061.db2.gz VUPPRAQXTMIPBL-UHFFFAOYSA-N -1 0 349.789 3.943 20 0 EHADRM CCc1onc(C)c1[N-]S(=O)(=O)c1ccc(SC)c(Cl)c1 ZINC000184871763 1140123911 /nfs/dbraw/zinc/12/39/11/1140123911.db2.gz DIFIIMGZNJIWRJ-UHFFFAOYSA-N -1 0 346.861 3.722 20 0 EHADRM CC[C@@H](C)Oc1cc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)ccn1 ZINC000777416840 1140164052 /nfs/dbraw/zinc/16/40/52/1140164052.db2.gz QWZPDCSANVSTAN-SNVBAGLBSA-N -1 0 343.408 3.941 20 0 EHADRM Cc1cc(NC(=O)c2cc(F)c([O-])c(F)c2)ccc1N1CCCC1 ZINC000186441596 1140204570 /nfs/dbraw/zinc/20/45/70/1140204570.db2.gz YSTZDFICVGYNRC-UHFFFAOYSA-N -1 0 332.350 3.831 20 0 EHADRM CCC(CC)c1nnc([N-]S(=O)(=O)Cc2ccccc2F)s1 ZINC000186602527 1140212946 /nfs/dbraw/zinc/21/29/46/1140212946.db2.gz JTLZTXGADWGNCV-UHFFFAOYSA-N -1 0 343.449 3.523 20 0 EHADRM CN(CC1(c2ccccc2)CC1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000186756054 1140220377 /nfs/dbraw/zinc/22/03/77/1140220377.db2.gz RZZVDXILHUPTSC-UHFFFAOYSA-N -1 0 335.325 3.613 20 0 EHADRM CC(C)Oc1cccc(CN(C)C(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000186949167 1140229863 /nfs/dbraw/zinc/22/98/63/1140229863.db2.gz PPYBBXMKIIZGNT-UHFFFAOYSA-N -1 0 335.350 3.730 20 0 EHADRM Cc1ccc(-c2ncccc2NC(=O)NO[C@H]2CCCCO2)s1 ZINC000189483668 1140346463 /nfs/dbraw/zinc/34/64/63/1140346463.db2.gz YKHXQHKEMCRGQP-AWEZNQCLSA-N -1 0 333.413 3.698 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@H](C)c2ccc(Cl)s2)cc1C(=O)[O-] ZINC000190889819 1140423644 /nfs/dbraw/zinc/42/36/44/1140423644.db2.gz RFSKOMFNCCRVLK-MRVPVSSYSA-N -1 0 341.816 3.763 20 0 EHADRM CCC(CC)n1ncc(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1C ZINC000190980602 1140429021 /nfs/dbraw/zinc/42/90/21/1140429021.db2.gz BAEFTAXMDBGIDO-UHFFFAOYSA-N -1 0 329.400 3.812 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000194418136 1140608938 /nfs/dbraw/zinc/60/89/38/1140608938.db2.gz RIGJYUJINFXVLQ-LRVUVFPRSA-N -1 0 337.847 3.620 20 0 EHADRM O=C([O-])C1CCC(C(=O)N2CC3(CCCC3)c3ccccc32)CC1 ZINC000194432286 1140609577 /nfs/dbraw/zinc/60/95/77/1140609577.db2.gz CYVKPKVUDLLFIC-UHFFFAOYSA-N -1 0 327.424 3.736 20 0 EHADRM O=C([O-])[C@H]1CC[C@@H](NC(=O)c2occc2CSc2ccccc2)C1 ZINC000194474428 1140611076 /nfs/dbraw/zinc/61/10/76/1140611076.db2.gz DHILTTCFGLATJJ-GXTWGEPZSA-N -1 0 345.420 3.555 20 0 EHADRM CC(C)(C)Cc1nnc([N-]S(=O)(=O)c2ccc3ccccc3c2)o1 ZINC000194870505 1140624781 /nfs/dbraw/zinc/62/47/81/1140624781.db2.gz DFPGFKDAKMTUEW-UHFFFAOYSA-N -1 0 345.424 3.612 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2cnn(C(C)C)c2)cc1Cl ZINC000267053663 1140754461 /nfs/dbraw/zinc/75/44/61/1140754461.db2.gz NZZQNXJYGHMXKC-UHFFFAOYSA-N -1 0 345.877 3.640 20 0 EHADRM CC(C)(C)c1nsc([N-]C(=O)c2c(F)c(F)cc(F)c2F)n1 ZINC000267142301 1140762879 /nfs/dbraw/zinc/76/28/79/1140762879.db2.gz KWTOMODBNUNFJY-UHFFFAOYSA-N -1 0 333.310 3.644 20 0 EHADRM CC(=O)[C@H](C)SCc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000267546727 1140802023 /nfs/dbraw/zinc/80/20/23/1140802023.db2.gz BMYRDGVTNOGPFY-VIFPVBQESA-N -1 0 334.422 3.868 20 0 EHADRM O=C(N[C@@H]1CCSc2ccc(F)cc21)c1s[n-]c(=O)c1Cl ZINC000339227966 1141535041 /nfs/dbraw/zinc/53/50/41/1141535041.db2.gz AIZPNYFXMNUUPK-MRVPVSSYSA-N -1 0 344.820 3.608 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1s[n-]c(=O)c1Cl ZINC000283176751 1141567822 /nfs/dbraw/zinc/56/78/22/1141567822.db2.gz XROPLZUPLVSBCX-SECBINFHSA-N -1 0 340.832 3.847 20 0 EHADRM O=C(NCc1ccccc1OC1CCC1)c1c(F)ccc(O)c1F ZINC000348737837 1141572989 /nfs/dbraw/zinc/57/29/89/1141572989.db2.gz DMVPFTCTBLIQLO-UHFFFAOYSA-N -1 0 333.334 3.532 20 0 EHADRM Cc1csc(-c2ccc(NC(=O)NCc3ncccc3O)cc2)n1 ZINC000348787849 1141580265 /nfs/dbraw/zinc/58/02/65/1141580265.db2.gz UAZBUPHSYIQRPQ-UHFFFAOYSA-N -1 0 340.408 3.541 20 0 EHADRM Cc1noc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)c1C ZINC000013741045 201912800 /nfs/dbraw/zinc/91/28/00/201912800.db2.gz PFKPCLJGCDINDK-UHFFFAOYSA-N -1 0 328.393 3.759 20 0 EHADRM C[C@H](Sc1nn(-c2ccc(Cl)cc2)c(=S)s1)C(=O)[O-] ZINC000739051398 597049839 /nfs/dbraw/zinc/04/98/39/597049839.db2.gz FDCMSVKNUMHGIH-LURJTMIESA-N -1 0 332.859 3.882 20 0 EHADRM CC(C)c1nc2cc(NC(=O)N3CCC[C@@H](CC(=O)[O-])C3)ccc2o1 ZINC000568490261 597120393 /nfs/dbraw/zinc/12/03/93/597120393.db2.gz BTOJWKDBDMATSJ-LBPRGKRZSA-N -1 0 345.399 3.670 20 0 EHADRM CC(C)(C)Oc1ccccc1NC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000564187816 597120477 /nfs/dbraw/zinc/12/04/77/597120477.db2.gz KGIZBZISOJWLAD-CYBMUJFWSA-N -1 0 334.416 3.583 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)CCCc2c[nH]c3ccccc23)cc1 ZINC000013091811 597148939 /nfs/dbraw/zinc/14/89/39/597148939.db2.gz BPYCTRRRAREERF-UHFFFAOYSA-N -1 0 336.391 3.505 20 0 EHADRM C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737720138 597189404 /nfs/dbraw/zinc/18/94/04/597189404.db2.gz GBYYIWRWYHUIPE-LLVKDONJSA-N -1 0 348.349 3.817 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N2CCC[C@]3(CC=CCC3)C2)c1 ZINC000738623605 597194386 /nfs/dbraw/zinc/19/43/86/597194386.db2.gz IPDVXDDHTMNPSS-LJQANCHMSA-N -1 0 328.412 3.668 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N(Cc2cccs2)C2CC2)c1 ZINC000321393662 597196052 /nfs/dbraw/zinc/19/60/52/597196052.db2.gz WZNKDOBATCRFHU-UHFFFAOYSA-N -1 0 330.409 3.572 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N(Cc2ccccc2F)C2CC2)c1 ZINC000738624283 597197885 /nfs/dbraw/zinc/19/78/85/597197885.db2.gz PMGGYGMEOIPEBE-UHFFFAOYSA-N -1 0 342.370 3.649 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)NC2(c3ccc(F)cc3)CCC2)c1 ZINC000738623575 597201696 /nfs/dbraw/zinc/20/16/96/597201696.db2.gz IANLGNNPLOZRTJ-UHFFFAOYSA-N -1 0 342.370 3.654 20 0 EHADRM CC[C@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)c1ccc(OC)cc1 ZINC000737785216 597203226 /nfs/dbraw/zinc/20/32/26/597203226.db2.gz VSCYKMCDLMTMOK-KRWDZBQOSA-N -1 0 342.395 3.595 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000263355216 597231797 /nfs/dbraw/zinc/23/17/97/597231797.db2.gz IVNRNYKMXKSWGT-QGZVFWFLSA-N -1 0 342.370 3.571 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccccc1CC(=O)[O-])c1ccc(C)cc1 ZINC000818143689 597321144 /nfs/dbraw/zinc/32/11/44/597321144.db2.gz LSSBCKFWSVFZEF-MRXNPFEDSA-N -1 0 326.396 3.895 20 0 EHADRM COc1ccc([C@@H](C)N(C)C(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000818582719 597324757 /nfs/dbraw/zinc/32/47/57/597324757.db2.gz AUAYYBQILWFSBY-CYBMUJFWSA-N -1 0 342.395 3.547 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N(Cc1ccccc1F)C1CC1 ZINC000819602849 597325253 /nfs/dbraw/zinc/32/52/53/597325253.db2.gz GMPPUPZMYIUHSZ-UHFFFAOYSA-N -1 0 342.370 3.649 20 0 EHADRM CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818143669 597334947 /nfs/dbraw/zinc/33/49/47/597334947.db2.gz KKNXPLPFCMBQKQ-QGZVFWFLSA-N -1 0 341.411 3.714 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)Nc2ccccc2CC(=O)[O-])c1C ZINC000818939249 597340422 /nfs/dbraw/zinc/34/04/22/597340422.db2.gz GNGJUNYSMSUWBS-AWEZNQCLSA-N -1 0 326.396 3.813 20 0 EHADRM CC(C)[C@H](C(=O)Nc1ccccc1CC(=O)[O-])c1ccc(F)cc1 ZINC000819955155 597406853 /nfs/dbraw/zinc/40/68/53/597406853.db2.gz LIRZTMBUWQXQCZ-SFHVURJKSA-N -1 0 329.371 3.831 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)c2ccccc2SCc2cccs2)C1 ZINC000238096505 597498126 /nfs/dbraw/zinc/49/81/26/597498126.db2.gz APBPLFAHQIZGKM-LBPRGKRZSA-N -1 0 347.461 3.587 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccccc2OCC(F)(F)F)c1 ZINC000238132380 598134965 /nfs/dbraw/zinc/13/49/65/598134965.db2.gz OANTUWLNYNUFEY-UHFFFAOYSA-N -1 0 339.269 3.578 20 0 EHADRM C[C@H](c1cc(F)ccc1F)N(C)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000820199789 598183771 /nfs/dbraw/zinc/18/37/71/598183771.db2.gz IYOUNFSEYTXKNV-LLVKDONJSA-N -1 0 348.349 3.566 20 0 EHADRM N#C/C(=C/c1cccc(C(=O)[O-])c1)C(=O)Nc1ccccc1Cl ZINC000158293021 598200746 /nfs/dbraw/zinc/20/07/46/598200746.db2.gz GBOUIVFYAMHNJK-LCYFTJDESA-N -1 0 326.739 3.584 20 0 EHADRM Cc1cc(SC(C)(C)C)ccc1NC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000818853160 598206622 /nfs/dbraw/zinc/20/66/22/598206622.db2.gz JMUBFFOCKPREKL-AWEZNQCLSA-N -1 0 336.457 3.967 20 0 EHADRM CCCCN(C)c1ccc(NC(=O)N2CCC(CC(=O)[O-])CC2)cc1 ZINC000736992265 599701190 /nfs/dbraw/zinc/70/11/90/599701190.db2.gz FKSKPWXNNMSDNP-UHFFFAOYSA-N -1 0 347.459 3.642 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cn2ccc3ccc(Cl)cc32)c(F)c1 ZINC000739356841 599704251 /nfs/dbraw/zinc/70/42/51/599704251.db2.gz OTVJTELTRRAJGH-UHFFFAOYSA-N -1 0 346.745 3.771 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc(C)c1OC(F)F ZINC000237786059 599705621 /nfs/dbraw/zinc/70/56/21/599705621.db2.gz HXLGGGSYGNTJDV-UHFFFAOYSA-N -1 0 335.306 3.855 20 0 EHADRM O=C([O-])NCCCC(=O)Oc1ccc(-c2ccccc2)cc1Cl ZINC000739972673 599711219 /nfs/dbraw/zinc/71/12/19/599711219.db2.gz OYODXCJNIMHKEO-UHFFFAOYSA-N -1 0 333.771 3.960 20 0 EHADRM C[C@H](c1ccncc1)N(C)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736724651 599713550 /nfs/dbraw/zinc/71/35/50/599713550.db2.gz NJYHCEAMSBCQCU-SNVBAGLBSA-N -1 0 332.335 3.536 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1O ZINC000133418566 599720287 /nfs/dbraw/zinc/72/02/87/599720287.db2.gz JRNKLGPWDRPFNR-UHFFFAOYSA-N -1 0 326.135 3.650 20 0 EHADRM Cc1cc(C(=O)Nc2sccc2C(=O)[O-])cc(C)c1OC(F)F ZINC000738343844 599723474 /nfs/dbraw/zinc/72/34/74/599723474.db2.gz WJGWAXSGUKLZIQ-UHFFFAOYSA-N -1 0 341.335 3.917 20 0 EHADRM C[C@H](CN(C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21)C1CC1)C(=O)[O-] ZINC000262121799 599730222 /nfs/dbraw/zinc/73/02/22/599730222.db2.gz IQYDKSYPTLCOPS-ZNZDAUKMSA-N -1 0 337.419 3.655 20 0 EHADRM Cc1cccc(C2(CNC(=O)CCCN(C)C(=O)[O-])CCCCC2)c1 ZINC000738687745 599735236 /nfs/dbraw/zinc/73/52/36/599735236.db2.gz UGFUWQAUERKYMJ-UHFFFAOYSA-N -1 0 346.471 3.703 20 0 EHADRM CCC(CC)(CNC(=O)NCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000736893947 599737273 /nfs/dbraw/zinc/73/72/73/599737273.db2.gz NRWZSFYKQNVOSX-UHFFFAOYSA-N -1 0 340.851 3.562 20 0 EHADRM CC/C=C(/C)C(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC000736949456 599739294 /nfs/dbraw/zinc/73/92/94/599739294.db2.gz SBPFGFYBEKUGAH-XFFZJAGNSA-N -1 0 330.409 3.732 20 0 EHADRM CC(C)C[C@@H](C)CC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000236738576 599739719 /nfs/dbraw/zinc/73/97/19/599739719.db2.gz OXEHWSDEWHYDHH-CYBMUJFWSA-N -1 0 342.439 3.823 20 0 EHADRM CCc1[nH]c(C(=O)N(CC2CC2)C2CCCCC2)c(C)c1C(=O)[O-] ZINC000737243002 599746288 /nfs/dbraw/zinc/74/62/88/599746288.db2.gz UZNTXRRUQIZRFC-UHFFFAOYSA-N -1 0 332.444 3.769 20 0 EHADRM COc1ccc(C2(C(=O)OCc3ccc(C(=O)[O-])cc3)CCC2)cc1 ZINC000737971378 599747969 /nfs/dbraw/zinc/74/79/69/599747969.db2.gz CFBQUHNYWAPQEM-UHFFFAOYSA-N -1 0 340.375 3.559 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)CSc1ccnc2ccccc21 ZINC000738475259 599750438 /nfs/dbraw/zinc/75/04/38/599750438.db2.gz BGMTUJCODSJQGD-UHFFFAOYSA-N -1 0 338.388 3.664 20 0 EHADRM CC[C@H](NC(=O)Nc1cccc(OCC(=O)[O-])c1)C1CCCCC1 ZINC000391982300 599755839 /nfs/dbraw/zinc/75/58/39/599755839.db2.gz PIAXIINGSTZWNR-INIZCTEOSA-N -1 0 334.416 3.630 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)CCSCC(=O)[O-] ZINC000737229517 599758774 /nfs/dbraw/zinc/75/87/74/599758774.db2.gz NNGRGEULFONPQN-UHFFFAOYSA-N -1 0 333.862 3.598 20 0 EHADRM COc1ccc([C@@H](NC(=O)C[C@@H](C)C2CCCCC2)C(=O)[O-])cc1 ZINC000561733812 599763309 /nfs/dbraw/zinc/76/33/09/599763309.db2.gz HAZIJPQZPVSWPP-FZKQIMNGSA-N -1 0 333.428 3.544 20 0 EHADRM CCSc1ccc(C(=O)Oc2ccc(C(=O)[O-])cc2Cl)cn1 ZINC000737230320 599763584 /nfs/dbraw/zinc/76/35/84/599763584.db2.gz UTJSSZICVZFJHE-UHFFFAOYSA-N -1 0 337.784 3.764 20 0 EHADRM Cc1nc(-c2ccsc2)ccc1C(=O)Nc1ncc(C(=O)[O-])s1 ZINC000738839706 599764299 /nfs/dbraw/zinc/76/42/99/599764299.db2.gz VFPGZPOOYDWBPD-UHFFFAOYSA-N -1 0 345.405 3.526 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1 ZINC000238033420 599766544 /nfs/dbraw/zinc/76/65/44/599766544.db2.gz UKRQIJGTTLUELE-UHFFFAOYSA-N -1 0 335.306 3.558 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)CSCc2ccc(F)cc2)cc1 ZINC000325535711 599767083 /nfs/dbraw/zinc/76/70/83/599767083.db2.gz SCXUNTPPNVCCNZ-UHFFFAOYSA-N -1 0 347.411 3.715 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1 ZINC000318730534 599767898 /nfs/dbraw/zinc/76/78/98/599767898.db2.gz RDBZDAVERVGMGA-UHFFFAOYSA-N -1 0 339.178 3.658 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2cnc(-c3ccco3)s2)cc1 ZINC000238058222 599772394 /nfs/dbraw/zinc/77/23/94/599772394.db2.gz DXZXGDSZGLVXTJ-UHFFFAOYSA-N -1 0 342.376 3.673 20 0 EHADRM CC(C)Cc1nc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)cs1 ZINC000736453195 599772966 /nfs/dbraw/zinc/77/29/66/599772966.db2.gz JKBSEFYHZDGJJH-UHFFFAOYSA-N -1 0 332.425 3.611 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)C[C@H](C)CC(C)C ZINC000738525570 599785711 /nfs/dbraw/zinc/78/57/11/599785711.db2.gz LRBRFCLGFIQUPE-TZMCWYRMSA-N -1 0 349.427 3.636 20 0 EHADRM CC[C@H](C)c1ccc(NC(=O)CN[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000736890666 599786452 /nfs/dbraw/zinc/78/64/52/599786452.db2.gz GGKVTFNMLYEBGX-IFXJQAMLSA-N -1 0 340.423 3.554 20 0 EHADRM O=C([O-])c1occc1CN1CCc2c(Cl)c(Cl)ccc2C1 ZINC000740280956 599787223 /nfs/dbraw/zinc/78/72/23/599787223.db2.gz FQINVQXEWJIRNY-UHFFFAOYSA-N -1 0 326.179 3.843 20 0 EHADRM Cc1cc(CN2CCc3[nH]c4ccc(Cl)cc4c3C2)oc1C(=O)[O-] ZINC000738386090 599795835 /nfs/dbraw/zinc/79/58/35/599795835.db2.gz UJRBRSYQPOAFGG-UHFFFAOYSA-N -1 0 344.798 3.979 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F)C1CC1 ZINC000736547951 599799249 /nfs/dbraw/zinc/79/92/49/599799249.db2.gz GUXQBUSJVQFFNR-SECBINFHSA-N -1 0 345.317 3.701 20 0 EHADRM Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000262662316 599800270 /nfs/dbraw/zinc/80/02/70/599800270.db2.gz UTBHBMOSAHSSBS-COXVUDFISA-N -1 0 339.391 3.794 20 0 EHADRM O=C([O-])NCCCC(=O)OC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000739966668 599800734 /nfs/dbraw/zinc/80/07/34/599800734.db2.gz NMOMPVDIQFHGQD-UHFFFAOYSA-N -1 0 349.333 3.645 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)Oc2ccsc2C(=O)[O-])cc1 ZINC000736891624 599801707 /nfs/dbraw/zinc/80/17/07/599801707.db2.gz PJTGTPXZTDSPIX-JTQLQIEISA-N -1 0 340.422 3.728 20 0 EHADRM C[C@H](S[C@H]1CCCc2ccccc21)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000736709030 599804549 /nfs/dbraw/zinc/80/45/49/599804549.db2.gz MSAGYXSWDKTATB-GUYCJALGSA-N -1 0 347.480 3.509 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)C[C@@H]1CCCc2ccccc21 ZINC000737868593 599807975 /nfs/dbraw/zinc/80/79/75/599807975.db2.gz UXZSXVBGNLOLHC-AWEZNQCLSA-N -1 0 340.375 3.809 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cc(CC3CCCCC3)[nH]n2)s1 ZINC000740115303 599809163 /nfs/dbraw/zinc/80/91/63/599809163.db2.gz QUVRQBIYIOSDBT-UHFFFAOYSA-N -1 0 333.413 3.545 20 0 EHADRM CC(C)c1nc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])cs1 ZINC000362536561 599811617 /nfs/dbraw/zinc/81/16/17/599811617.db2.gz XDVHXUMRMSKMFS-CYBMUJFWSA-N -1 0 346.452 3.630 20 0 EHADRM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)C[C@@H]1CCCc2ccccc21 ZINC000238029879 599814242 /nfs/dbraw/zinc/81/42/42/599814242.db2.gz FSKIBWGGODXJJU-FXAWDEMLSA-N -1 0 349.430 3.535 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)N2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000740043807 599819665 /nfs/dbraw/zinc/81/96/65/599819665.db2.gz YFVIVILOMRXPPX-ZDUSSCGKSA-N -1 0 343.358 3.937 20 0 EHADRM CC(C)[C@@H](NC(=O)[O-])C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl ZINC000736593980 599823712 /nfs/dbraw/zinc/82/37/12/599823712.db2.gz ZKOAZSHLYAQUSD-NOZJJQNGSA-N -1 0 347.242 3.505 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000736598225 599823823 /nfs/dbraw/zinc/82/38/23/599823823.db2.gz JPABLLMTGFHCRN-CYBMUJFWSA-N -1 0 344.386 3.768 20 0 EHADRM C[C@H](c1ccccc1)N(C)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000383813269 599828178 /nfs/dbraw/zinc/82/81/78/599828178.db2.gz KQJGUFICPBTEDD-CQSZACIVSA-N -1 0 326.396 3.929 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)C[C@H]1CCCc3ccccc31)C2 ZINC000621556374 599829410 /nfs/dbraw/zinc/82/94/10/599829410.db2.gz JAQAVVVCRXGJCG-OAHLLOKOSA-N -1 0 335.403 3.737 20 0 EHADRM COC(=O)/C(=C\c1ccc(-c2ccc(C(=O)[O-])cc2)o1)c1ccncc1 ZINC000737562296 599831063 /nfs/dbraw/zinc/83/10/63/599831063.db2.gz KYCXCLFSQDKLHN-ATVHPVEESA-N -1 0 349.342 3.753 20 0 EHADRM C[C@@H]1CCC[C@@H](CC(=O)N(CC(=O)[O-])Cc2ccc(F)c(F)c2)C1 ZINC000736774136 599831516 /nfs/dbraw/zinc/83/15/16/599831516.db2.gz GSKYZSPFJJVGKP-CHWSQXEVSA-N -1 0 339.382 3.594 20 0 EHADRM CC(C)CCSCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000736436023 599834428 /nfs/dbraw/zinc/83/44/28/599834428.db2.gz NKIOPMWFJARMCS-UHFFFAOYSA-N -1 0 327.471 3.653 20 0 EHADRM O=C([O-])c1c(NC(=O)C(F)(F)c2ccccc2)sc2c1CCC2 ZINC000740066698 599835137 /nfs/dbraw/zinc/83/51/37/599835137.db2.gz ZIAKYVKTBZSTGK-UHFFFAOYSA-N -1 0 337.347 3.666 20 0 EHADRM CN(CCCC(=O)Nc1cc(Cl)c(Cl)cc1Cl)C(=O)[O-] ZINC000737430162 599840035 /nfs/dbraw/zinc/84/00/35/599840035.db2.gz XDLBQLITLHTMCI-UHFFFAOYSA-N -1 0 339.606 3.975 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)Cc1ccccc1C(F)(F)F ZINC000739346019 599842781 /nfs/dbraw/zinc/84/27/81/599842781.db2.gz XAORXQNOHPQXJL-UHFFFAOYSA-N -1 0 341.260 3.724 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(Cl)o2)cc1 ZINC000237362590 599847877 /nfs/dbraw/zinc/84/78/77/599847877.db2.gz ZUBSTWZIARMDQT-NSHDSACASA-N -1 0 339.800 3.601 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(C)c2C)cc1 ZINC000237354061 599848689 /nfs/dbraw/zinc/84/86/89/599848689.db2.gz FLQJTWCDSZDMMJ-QGZVFWFLSA-N -1 0 343.448 3.971 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(C)c2C)cc1 ZINC000237363099 599849218 /nfs/dbraw/zinc/84/92/18/599849218.db2.gz FLQJTWCDSZDMMJ-KRWDZBQOSA-N -1 0 343.448 3.971 20 0 EHADRM O=C([O-])c1coc(CN2CCc3c(Cl)c(Cl)ccc3C2)c1 ZINC000740266845 599852035 /nfs/dbraw/zinc/85/20/35/599852035.db2.gz AKVHKHWBMAEPEZ-UHFFFAOYSA-N -1 0 326.179 3.843 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)NCC1CCC(c2ccccc2)CC1 ZINC000736423447 599852620 /nfs/dbraw/zinc/85/26/20/599852620.db2.gz UMUVSUSIAUQDRO-VJFUWPCTSA-N -1 0 346.471 3.759 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)OCc1coc(-c2cccs2)n1 ZINC000740054390 599868398 /nfs/dbraw/zinc/86/83/98/599868398.db2.gz VOKAOSIMWMKTCL-UHFFFAOYSA-N -1 0 344.348 3.850 20 0 EHADRM O=C([O-])c1ccc(COC(=O)Cc2ccccc2C(F)(F)F)cc1 ZINC000739345232 599871309 /nfs/dbraw/zinc/87/13/09/599871309.db2.gz OEPIAQHLEBDNFY-UHFFFAOYSA-N -1 0 338.281 3.690 20 0 EHADRM C[C@@H](OC(=O)CCCN(C)C(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000736685808 599871750 /nfs/dbraw/zinc/87/17/50/599871750.db2.gz RDQFBPCCYQEJCI-SNVBAGLBSA-N -1 0 349.305 3.579 20 0 EHADRM CCCCN(C(=O)N[C@@H]1CCCN(C(=O)[O-])C1)[C@H](C)c1ccccc1 ZINC000736992097 599872120 /nfs/dbraw/zinc/87/21/20/599872120.db2.gz UYLUSYDYMLKBLT-NVXWUHKLSA-N -1 0 347.459 3.702 20 0 EHADRM Cc1cc(C(=O)NCc2c3ccccc3sc2C(=O)[O-])c(C)o1 ZINC000676019272 599872267 /nfs/dbraw/zinc/87/22/67/599872267.db2.gz MSVBXEPZAOHRQC-UHFFFAOYSA-N -1 0 329.377 3.739 20 0 EHADRM CSc1ccc(Cl)c(C(=O)OCc2cc(C(=O)[O-])co2)c1 ZINC000738214241 599878301 /nfs/dbraw/zinc/87/83/01/599878301.db2.gz UEDOTEYHAOVMHY-UHFFFAOYSA-N -1 0 326.757 3.710 20 0 EHADRM Cc1sc(NC(=O)N2CCC[C@@H]2c2cccnc2)c(C(=O)[O-])c1C ZINC000324995328 599880696 /nfs/dbraw/zinc/88/06/96/599880696.db2.gz XBHIXBDHONMCEQ-CYBMUJFWSA-N -1 0 345.424 3.827 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)OCc1cc(C(=O)[O-])co1 ZINC000738287140 599883790 /nfs/dbraw/zinc/88/37/90/599883790.db2.gz SIJPXCHBEXFAOY-UHFFFAOYSA-N -1 0 334.324 3.997 20 0 EHADRM CCN(Cc1ccc2ccccc2c1)C(=O)[C@@H](CC(C)C)NC(=O)[O-] ZINC000737103869 599886705 /nfs/dbraw/zinc/88/67/05/599886705.db2.gz MKPVLGFVWNCGGF-GOSISDBHSA-N -1 0 342.439 3.871 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)Oc1ccc(Oc2ccccc2)cc1 ZINC000736507705 599888162 /nfs/dbraw/zinc/88/81/62/599888162.db2.gz FHAVRLVXMDPQOL-INIZCTEOSA-N -1 0 329.352 3.677 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=S)NC2CCCCC2)c1 ZINC000739874040 599892611 /nfs/dbraw/zinc/89/26/11/599892611.db2.gz KARFSQRXTPXJPT-UHFFFAOYSA-N -1 0 338.498 3.624 20 0 EHADRM Cc1ccc(SCCNC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000738667983 599898161 /nfs/dbraw/zinc/89/81/61/599898161.db2.gz OBRVDNFZWUSUJY-UHFFFAOYSA-N -1 0 330.409 3.607 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2nc3c(s2)CCCCC3)c1 ZINC000740035805 599900349 /nfs/dbraw/zinc/90/03/49/599900349.db2.gz HQXMDDGKEXHIBX-UHFFFAOYSA-N -1 0 331.397 3.754 20 0 EHADRM COc1ccc(NC(=O)C[C@H](C)c2ccccc2OC)c(C(=O)[O-])c1 ZINC000263294960 599908982 /nfs/dbraw/zinc/90/89/82/599908982.db2.gz MGDQVSFZBGHONA-LBPRGKRZSA-N -1 0 343.379 3.534 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N[C@H]2CCc3cc(Cl)ccc32)c1 ZINC000740030472 599909846 /nfs/dbraw/zinc/90/98/46/599909846.db2.gz ZOUFURMKJFTZRV-HNNXBMFYSA-N -1 0 330.771 3.847 20 0 EHADRM C[C@@H](OC(=O)CCCN(C)C(=O)[O-])c1ccccc1C(F)(F)F ZINC000736684918 599912382 /nfs/dbraw/zinc/91/23/82/599912382.db2.gz ODNMEEOQCWYFLW-SNVBAGLBSA-N -1 0 333.306 3.700 20 0 EHADRM C[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1cccs1)c1ccccc1F ZINC000237535342 599912741 /nfs/dbraw/zinc/91/27/41/599912741.db2.gz OLQGLTJVBUQFCT-SMDDNHRTSA-N -1 0 335.400 3.713 20 0 EHADRM C[C@@H](CC(=O)N1CCCc2c(C(=O)[O-])cccc21)c1ccccc1F ZINC000736544382 599912885 /nfs/dbraw/zinc/91/28/85/599912885.db2.gz FCLGXGCFKLSSBP-ZDUSSCGKSA-N -1 0 341.382 3.997 20 0 EHADRM Cc1ccc(C(C)(C)CNC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000738553741 599914089 /nfs/dbraw/zinc/91/40/89/599914089.db2.gz ZMIZTYGVLJSXBD-UHFFFAOYSA-N -1 0 326.396 3.793 20 0 EHADRM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000531746214 599915322 /nfs/dbraw/zinc/91/53/22/599915322.db2.gz SWWUETCNJNTIPY-LBPRGKRZSA-N -1 0 345.420 3.821 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000236973029 599915541 /nfs/dbraw/zinc/91/55/41/599915541.db2.gz PDTGLFKGRHTIKV-JUKXBJQTSA-N -1 0 325.408 3.559 20 0 EHADRM Cc1cc(NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1C(=O)[O-] ZINC000237714178 599916334 /nfs/dbraw/zinc/91/63/34/599916334.db2.gz RFWNFADEQMPFKK-UHFFFAOYSA-N -1 0 337.297 3.893 20 0 EHADRM C[C@H](CN(C(=O)c1ccc(SC(F)(F)F)cc1)C1CC1)C(=O)[O-] ZINC000237374813 599920458 /nfs/dbraw/zinc/92/04/58/599920458.db2.gz UIZZLBOHRUMLSH-SECBINFHSA-N -1 0 347.358 3.624 20 0 EHADRM O=C([O-])CCC(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000574779398 599926110 /nfs/dbraw/zinc/92/61/10/599926110.db2.gz OHYDRGORXBZFNF-CYBMUJFWSA-N -1 0 329.318 3.624 20 0 EHADRM C[C@H](NC(=S)N[C@@H](CCC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000736660680 599926911 /nfs/dbraw/zinc/92/69/11/599926911.db2.gz NVWKVSLQNXITRH-YOEHRIQHSA-N -1 0 342.464 3.818 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000357680706 599927816 /nfs/dbraw/zinc/92/78/16/599927816.db2.gz GRQCHKGOZDPAAQ-MRXNPFEDSA-N -1 0 347.455 3.871 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)[C@H]1CCCc2ccccc21)c1ccccc1 ZINC000261614304 599933942 /nfs/dbraw/zinc/93/39/42/599933942.db2.gz FEJCRTDBYBHRRR-RBUKOAKNSA-N -1 0 337.419 3.829 20 0 EHADRM Cc1cccc(NCc2c3ccccc3sc2C(=O)[O-])c1C(N)=O ZINC000738735491 599936788 /nfs/dbraw/zinc/93/67/88/599936788.db2.gz CERBHAINXRMHAQ-UHFFFAOYSA-N -1 0 340.404 3.619 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)c2ccccc2n1 ZINC000193451396 599937070 /nfs/dbraw/zinc/93/70/70/599937070.db2.gz YNGAMLDYISDQPI-SFHVURJKSA-N -1 0 348.402 3.879 20 0 EHADRM Cc1oc(-c2ccsc2)nc1COC(=O)c1cccc(C(=O)[O-])c1 ZINC000738957366 599944506 /nfs/dbraw/zinc/94/45/06/599944506.db2.gz JYVKOLXYJSXGEW-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM O=C([O-])c1sc2ccccc2c1COC(=O)CC[C@H]1CCCO1 ZINC000739237124 599944662 /nfs/dbraw/zinc/94/46/62/599944662.db2.gz ZFUGYIYUTGUQQD-LLVKDONJSA-N -1 0 334.393 3.602 20 0 EHADRM Cc1cc(C)c(NC(=O)NCCOc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000738357686 599954150 /nfs/dbraw/zinc/95/41/50/599954150.db2.gz HAEIENQCQNOHKJ-UHFFFAOYSA-N -1 0 342.395 3.511 20 0 EHADRM Cc1cc(NCC(=O)N(c2ccccc2)C(C)C)ccc1C(=O)[O-] ZINC000738458062 599960583 /nfs/dbraw/zinc/96/05/83/599960583.db2.gz BXEQGZBHESIIDO-UHFFFAOYSA-N -1 0 326.396 3.547 20 0 EHADRM Cc1cc(NCC(=O)N[C@H](C)c2ccccc2Cl)ccc1C(=O)[O-] ZINC000738460104 599961312 /nfs/dbraw/zinc/96/13/12/599961312.db2.gz OTCLUYXVWWPTJV-GFCCVEGCSA-N -1 0 346.814 3.636 20 0 EHADRM Cc1oc(-c2ccsc2)nc1CC(=O)Nc1ccccc1C(=O)[O-] ZINC000681680742 599967314 /nfs/dbraw/zinc/96/73/14/599967314.db2.gz WCVUOUUUJWOBBJ-UHFFFAOYSA-N -1 0 342.376 3.591 20 0 EHADRM CC(C)COc1ccccc1C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000736448625 599971212 /nfs/dbraw/zinc/97/12/12/599971212.db2.gz NAEFSLATWRJIDS-UHFFFAOYSA-N -1 0 349.333 3.950 20 0 EHADRM O=C([O-])[C@H](NC(=O)/C=C\Sc1ccccc1)c1cc(F)ccc1F ZINC000739214422 599976324 /nfs/dbraw/zinc/97/63/24/599976324.db2.gz DVGXAJZHAAVFAF-HLRDLLSLSA-N -1 0 349.358 3.513 20 0 EHADRM O=C([O-])[C@@H](NC(=O)/C=C/Sc1ccccc1)c1cc(F)ccc1F ZINC000739214419 599976545 /nfs/dbraw/zinc/97/65/45/599976545.db2.gz DVGXAJZHAAVFAF-FDMDGMSGSA-N -1 0 349.358 3.513 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000740066163 599998156 /nfs/dbraw/zinc/99/81/56/599998156.db2.gz LONDWIXDTMUNJL-UWVGGRQHSA-N -1 0 335.281 3.544 20 0 EHADRM C[C@H](OC(=O)c1cccc(NC(=O)[O-])c1)C(=O)c1ccc(Cl)cc1 ZINC000736700721 599999457 /nfs/dbraw/zinc/99/94/57/599999457.db2.gz YLLYUBHQJRSWLI-JTQLQIEISA-N -1 0 347.754 3.858 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)c2ccc3[nH]c(C(F)F)nc3c2)c1 ZINC000740040513 599999559 /nfs/dbraw/zinc/99/95/59/599999559.db2.gz IHNWSSXAETUUCL-UHFFFAOYSA-N -1 0 346.293 3.843 20 0 EHADRM CC1(C)CCN(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)CC1 ZINC000736732344 599999755 /nfs/dbraw/zinc/99/97/55/599999755.db2.gz FVVHEJSJQJKUHC-UHFFFAOYSA-N -1 0 345.443 3.639 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)CCSc2ccccc2F)c1 ZINC000392501873 600000664 /nfs/dbraw/zinc/00/06/64/600000664.db2.gz GDIQZBZKTOLTIO-UHFFFAOYSA-N -1 0 349.383 3.653 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)OCc1cc(C(=O)[O-])oc1C ZINC000738119427 600001688 /nfs/dbraw/zinc/00/16/88/600001688.db2.gz HMUGVZKELGYEIR-LLVKDONJSA-N -1 0 332.352 3.532 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)COc2ccc(C(C)C)cc2)c1 ZINC000326941350 600002283 /nfs/dbraw/zinc/00/22/83/600002283.db2.gz GNCIUJBAPFZAPN-UHFFFAOYSA-N -1 0 343.379 3.534 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cc3sccc3s2)c1 ZINC000318960713 600002957 /nfs/dbraw/zinc/00/29/57/600002957.db2.gz UODBEYJSDQOGKW-UHFFFAOYSA-N -1 0 333.390 3.922 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2sc(C(C)C)nc2C)c1 ZINC000737942684 600003025 /nfs/dbraw/zinc/00/30/25/600003025.db2.gz KQNYFYSJCAZQNH-UHFFFAOYSA-N -1 0 334.397 3.534 20 0 EHADRM O=C([O-])Cc1ccc(OCc2nnc(-c3cccc(Cl)c3)o2)cc1 ZINC000739883129 600005307 /nfs/dbraw/zinc/00/53/07/600005307.db2.gz FXASJARTVVDFAM-UHFFFAOYSA-N -1 0 344.754 3.596 20 0 EHADRM C[C@H]1CCc2c(sc3ncnc(NC4CCC(C(=O)[O-])CC4)c32)C1 ZINC000736800483 600006457 /nfs/dbraw/zinc/00/64/57/600006457.db2.gz DDUOFPGRPJECGU-UNXYVOJBSA-N -1 0 345.468 3.871 20 0 EHADRM CC(C)[C@H]1CCCC[C@H]1NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000325267665 600007533 /nfs/dbraw/zinc/00/75/33/600007533.db2.gz PPTYJTICRZBOAS-QMTHXVAHSA-N -1 0 340.370 3.999 20 0 EHADRM CCC[C@](C)(NC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000736954487 600008148 /nfs/dbraw/zinc/00/81/48/600008148.db2.gz LOHPKOCTXQQNPM-PSLIRLAXSA-N -1 0 348.226 3.520 20 0 EHADRM CCCc1c(C(=O)Nc2ccc(OC)cc2C)[nH]c(C)c1C(=O)[O-] ZINC000737043301 600011922 /nfs/dbraw/zinc/01/19/22/600011922.db2.gz ITUABYALQIGWNG-UHFFFAOYSA-N -1 0 330.384 3.543 20 0 EHADRM Cc1cc(NC(=O)NCCc2ccc(Cl)s2)ccc1C(=O)[O-] ZINC000319106319 600013004 /nfs/dbraw/zinc/01/30/04/600013004.db2.gz LMDIPBPYNIZBMZ-UHFFFAOYSA-N -1 0 338.816 3.772 20 0 EHADRM Cc1cc(NC(=O)NCCc2ccccc2Cl)ccc1C(=O)[O-] ZINC000738442194 600014653 /nfs/dbraw/zinc/01/46/53/600014653.db2.gz RWRQPXYUXPJEGO-UHFFFAOYSA-N -1 0 332.787 3.711 20 0 EHADRM CCN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000067454443 600018956 /nfs/dbraw/zinc/01/89/56/600018956.db2.gz ZPQGPROMEOSJCZ-HNNXBMFYSA-N -1 0 330.771 3.625 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000165573998 600019806 /nfs/dbraw/zinc/01/98/06/600019806.db2.gz SKPQRJSRNBECFH-AWEZNQCLSA-N -1 0 337.375 3.831 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)c2cc3cc(F)ccc3s2)c1 ZINC000739887822 600024707 /nfs/dbraw/zinc/02/47/07/600024707.db2.gz AYHOTXYWRWVHJT-UHFFFAOYSA-N -1 0 330.336 3.887 20 0 EHADRM CC(C)(C)c1ccccc1OCC(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000736299971 600027774 /nfs/dbraw/zinc/02/77/74/600027774.db2.gz ONMJRKPZOWQBMB-UHFFFAOYSA-N -1 0 342.391 3.596 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c(C)n1C1CCCCC1 ZINC000237687864 600029235 /nfs/dbraw/zinc/02/92/35/600029235.db2.gz IMWCTIHVJHWKSE-OAHLLOKOSA-N -1 0 332.444 3.547 20 0 EHADRM Cc1ccc(C)c(NC(=S)N2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000738575030 600033844 /nfs/dbraw/zinc/03/38/44/600033844.db2.gz VYYKFZGVLLXFPC-UHFFFAOYSA-N -1 0 326.421 3.714 20 0 EHADRM Cc1cc(C)cc(NC(=S)N2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000738365163 600033981 /nfs/dbraw/zinc/03/39/81/600033981.db2.gz XAOGGMXDJJJTQF-UHFFFAOYSA-N -1 0 326.421 3.714 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=S)Nc1ccc(Cl)cc1)C2 ZINC000740203564 600034231 /nfs/dbraw/zinc/03/42/31/600034231.db2.gz RSADJNANEDXVEQ-UHFFFAOYSA-N -1 0 332.812 3.751 20 0 EHADRM COc1ccccc1C/C(C)=C/C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000738123393 600036368 /nfs/dbraw/zinc/03/63/68/600036368.db2.gz GHMZKDCNXLIRRX-ZRDIBKRKSA-N -1 0 343.354 3.660 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N[C@@H](c2ccco2)c2ccccc2)cc1 ZINC000739252871 600036675 /nfs/dbraw/zinc/03/66/75/600036675.db2.gz WDNVFQZNHIBZFV-HXUWFJFHSA-N -1 0 349.386 3.816 20 0 EHADRM CC(C)COc1ccc(CC(=O)Nc2sccc2C(=O)[O-])cc1 ZINC000736445817 600038425 /nfs/dbraw/zinc/03/84/25/600038425.db2.gz MMJHZBMWAFKURW-UHFFFAOYSA-N -1 0 333.409 3.662 20 0 EHADRM Cc1oc(CN(C)C(=O)N[C@H]2CCCC[C@H]2C(C)C)cc1C(=O)[O-] ZINC000738968287 600042076 /nfs/dbraw/zinc/04/20/76/600042076.db2.gz XVOHHTUKLPPHJJ-HOCLYGCPSA-N -1 0 336.432 3.642 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)C1(c3ccc(Cl)cc3)CC1)C2 ZINC000326339670 600046058 /nfs/dbraw/zinc/04/60/58/600046058.db2.gz KLSRFDXBFFIMIH-UHFFFAOYSA-N -1 0 341.794 3.612 20 0 EHADRM Cc1ccc(C)c(OCCCCC(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC000262629452 600048846 /nfs/dbraw/zinc/04/88/46/600048846.db2.gz FKSURPCPTVCPBQ-UHFFFAOYSA-N -1 0 347.455 3.612 20 0 EHADRM O=C([O-])C1CCC(NC(=O)C2(c3ccc(F)cc3)CCCCC2)CC1 ZINC000262097115 600051926 /nfs/dbraw/zinc/05/19/26/600051926.db2.gz LVHZMWKXOACNJE-UHFFFAOYSA-N -1 0 347.430 3.787 20 0 EHADRM COc1ccc(C[C@H](C)OC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000737985307 600057142 /nfs/dbraw/zinc/05/71/42/600057142.db2.gz UHZKWQCOQZPACW-LBPRGKRZSA-N -1 0 329.352 3.573 20 0 EHADRM C/C(=C\C(=O)Oc1ccc(CC(=O)[O-])cc1)c1ccccc1Cl ZINC000736121964 600059638 /nfs/dbraw/zinc/05/96/38/600059638.db2.gz QHXIEFJQUWJXHM-ZRDIBKRKSA-N -1 0 330.767 3.976 20 0 EHADRM CC[C@H](CC(=O)N[C@H](CC(=O)[O-])c1cccs1)c1ccccc1 ZINC000236936268 600060842 /nfs/dbraw/zinc/06/08/42/600060842.db2.gz HUBZYIWSGBSIAW-UKRRQHHQSA-N -1 0 331.437 3.964 20 0 EHADRM Cc1cccc(C[C@@H](CNC(=O)C[C@H](C)c2ccccc2)C(=O)[O-])c1 ZINC000237464115 600061511 /nfs/dbraw/zinc/06/15/11/600061511.db2.gz CEXJWWKLWKUWSL-LPHOPBHVSA-N -1 0 339.435 3.548 20 0 EHADRM CC(C)N(C(=O)Cn1cc(C(=O)[O-])c2ccccc21)C1CCCC1 ZINC000736454149 600061764 /nfs/dbraw/zinc/06/17/64/600061764.db2.gz FPTOXUJFEVISLO-UHFFFAOYSA-N -1 0 328.412 3.519 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)CCc2ccco2)c1 ZINC000238212151 600067489 /nfs/dbraw/zinc/06/74/89/600067489.db2.gz FOBWTQMUPHOPNP-UHFFFAOYSA-N -1 0 333.409 3.559 20 0 EHADRM CCC(CC)(C(=O)NC[C@H](C)C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000736893880 600071772 /nfs/dbraw/zinc/07/17/72/600071772.db2.gz MTDRGPDXRSRZTO-JTQLQIEISA-N -1 0 346.254 3.888 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)Cn1ccc(-c2cccs2)n1 ZINC000739723000 600074554 /nfs/dbraw/zinc/07/45/54/600074554.db2.gz AESIYVKMBFEBAR-UHFFFAOYSA-N -1 0 341.436 3.546 20 0 EHADRM CCc1ccc2c(CNc3cccc(C(=O)[O-])c3C)cc(=O)oc2c1 ZINC000737267212 600075966 /nfs/dbraw/zinc/07/59/66/600075966.db2.gz NARSYZNSEAQTMG-UHFFFAOYSA-N -1 0 337.375 3.974 20 0 EHADRM O=C([O-])c1cc(F)ccc1COc1cccc(Oc2ncccn2)c1 ZINC000740077571 600081860 /nfs/dbraw/zinc/08/18/60/600081860.db2.gz LQOPQIPXDCYYKE-UHFFFAOYSA-N -1 0 340.310 3.685 20 0 EHADRM Cc1ccccc1N(C(C)C)S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000738777522 600084446 /nfs/dbraw/zinc/08/44/46/600084446.db2.gz JKRHUPJGPACXCK-UHFFFAOYSA-N -1 0 347.436 3.605 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)Cn2ccc3ccccc32)ccc1F ZINC000740004842 600086631 /nfs/dbraw/zinc/08/66/31/600086631.db2.gz HIUJRCLSIUGSNG-UHFFFAOYSA-N -1 0 327.315 3.509 20 0 EHADRM CCC(=O)Nc1cccc(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000736848815 600087073 /nfs/dbraw/zinc/08/70/73/600087073.db2.gz NPZNZTQKEATGDV-UHFFFAOYSA-N -1 0 345.330 3.516 20 0 EHADRM Cc1cc(C)cc(OCCC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000738364107 600088328 /nfs/dbraw/zinc/08/83/28/600088328.db2.gz NVTOCAWKLBPAQZ-UHFFFAOYSA-N -1 0 346.358 3.940 20 0 EHADRM CN(C)c1ccc(CCC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000737377991 600089200 /nfs/dbraw/zinc/08/92/00/600089200.db2.gz PQRIGYVLJJHGJR-UHFFFAOYSA-N -1 0 345.374 3.553 20 0 EHADRM CC(C)(C)c1nc(COC(=O)CCc2ccc(C(=O)[O-])cc2)cs1 ZINC000736304296 600089641 /nfs/dbraw/zinc/08/96/41/600089641.db2.gz XKWAXCMTQOFMAK-UHFFFAOYSA-N -1 0 347.436 3.815 20 0 EHADRM CCOc1ccc(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1OC ZINC000737195462 600090028 /nfs/dbraw/zinc/09/00/28/600090028.db2.gz PDGGTZYZQPNWPQ-UHFFFAOYSA-N -1 0 348.330 3.575 20 0 EHADRM Cc1cccc(C)c1OCC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000738687972 600091104 /nfs/dbraw/zinc/09/11/04/600091104.db2.gz HPYWITQPNGOZFX-UHFFFAOYSA-N -1 0 332.331 3.550 20 0 EHADRM CN(CCc1ccccc1F)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000737447176 600095881 /nfs/dbraw/zinc/09/58/81/600095881.db2.gz OCGOCBFDFAEZNM-UHFFFAOYSA-N -1 0 345.374 3.646 20 0 EHADRM O=C([O-])[C@H]1C[C@H]1c1nc(-c2ccccc2OCc2ccccc2)no1 ZINC000739561320 600109471 /nfs/dbraw/zinc/10/94/71/600109471.db2.gz YUAZFPGQJRJMPD-CABCVRRESA-N -1 0 336.347 3.504 20 0 EHADRM C[C@H](Cc1cccc(F)c1)c1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000736626927 600111353 /nfs/dbraw/zinc/11/13/53/600111353.db2.gz PRFYHLIUJOGASI-LLVKDONJSA-N -1 0 326.327 3.920 20 0 EHADRM C[C@H](Cc1nc(-c2ccc(C(=O)[O-])cc2)no1)c1ccccc1F ZINC000736628386 600112268 /nfs/dbraw/zinc/11/22/68/600112268.db2.gz CPUVZLPUICXVGC-LLVKDONJSA-N -1 0 326.327 3.920 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)c1ccc(Cl)cc1F ZINC000740291752 600112478 /nfs/dbraw/zinc/11/24/78/600112478.db2.gz WRBLLWMZAHJHSS-UHFFFAOYSA-N -1 0 326.682 3.673 20 0 EHADRM O=C([O-])c1ccc(-c2noc(CSc3ccc(F)cc3)n2)cc1 ZINC000740101900 600114289 /nfs/dbraw/zinc/11/42/89/600114289.db2.gz WZQQPHNVJVIITJ-UHFFFAOYSA-N -1 0 330.340 3.866 20 0 EHADRM CSCc1ccc(NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000738194536 600114928 /nfs/dbraw/zinc/11/49/28/600114928.db2.gz BWFIPPDEHYHZSN-UHFFFAOYSA-N -1 0 342.420 3.796 20 0 EHADRM CC(C)(C)c1nc(C(=O)OCc2ccc(F)cc2C(=O)[O-])cs1 ZINC000736303850 600116063 /nfs/dbraw/zinc/11/60/63/600116063.db2.gz POGGCVUWDVANHO-UHFFFAOYSA-N -1 0 337.372 3.635 20 0 EHADRM O=C([O-])c1cccc(OCc2nc(-c3cccc(Cl)c3)no2)c1 ZINC000013419239 600127906 /nfs/dbraw/zinc/12/79/06/600127906.db2.gz GNHMHYDEHHPFKH-UHFFFAOYSA-N -1 0 330.727 3.667 20 0 EHADRM CC[C@@](NC(=O)[C@H]1CCCc2ccccc21)(C(=O)[O-])c1ccccc1 ZINC000485384618 600129019 /nfs/dbraw/zinc/12/90/19/600129019.db2.gz PGJRICPKGFWSBK-RXVVDRJESA-N -1 0 337.419 3.613 20 0 EHADRM CC[C@](NC(=O)CCSc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000485370731 600131468 /nfs/dbraw/zinc/13/14/68/600131468.db2.gz GIQDAISGUJKZJK-LJQANCHMSA-N -1 0 343.448 3.675 20 0 EHADRM O=C([O-])c1c(NC(=O)[C@@H]2CCc3ccccc32)sc2c1CCCC2 ZINC000740068813 600152601 /nfs/dbraw/zinc/15/26/01/600152601.db2.gz MLUKBDRFMMOIRY-CYBMUJFWSA-N -1 0 341.432 3.994 20 0 EHADRM CCSc1ccccc1C(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC000538470694 600158520 /nfs/dbraw/zinc/15/85/20/600158520.db2.gz PVQMOASNZLEGBN-INIZCTEOSA-N -1 0 343.448 3.705 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1CCc2ccccc21 ZINC000262657212 600158519 /nfs/dbraw/zinc/15/85/19/600158519.db2.gz SWIDQCQSTYCOCJ-INIZCTEOSA-N -1 0 339.391 3.841 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)c2ccc(C)c(Cl)c2)C(=O)[O-])cc1 ZINC000486378292 600164707 /nfs/dbraw/zinc/16/47/07/600164707.db2.gz XETIUUJNMOTIEW-OAHLLOKOSA-N -1 0 331.799 3.555 20 0 EHADRM CN(C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1)C(C)(C)C(=O)[O-] ZINC000737314173 600166212 /nfs/dbraw/zinc/16/62/12/600166212.db2.gz OXLKMQNZHPFJHZ-LUAWRHEFSA-N -1 0 347.411 3.889 20 0 EHADRM Cc1cc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c(C(=O)[O-])[nH]1 ZINC000738452068 600169863 /nfs/dbraw/zinc/16/98/63/600169863.db2.gz SRBBMZQROHCFRC-UHFFFAOYSA-N -1 0 337.379 3.634 20 0 EHADRM C[C@@H](CC(=O)N(C)C(C)(C)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000262467137 600171076 /nfs/dbraw/zinc/17/10/76/600171076.db2.gz RPUAFTKPZMOWHY-JTQLQIEISA-N -1 0 331.334 3.521 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N(C)C[C@H](C)C(=O)[O-])c(F)c2)cc1C ZINC000237413879 600173713 /nfs/dbraw/zinc/17/37/13/600173713.db2.gz WDZVWOIOJFDOAW-AWEZNQCLSA-N -1 0 343.398 3.902 20 0 EHADRM O=C([O-])CCc1nc(CSc2nc(-c3ccccc3)cs2)no1 ZINC000739771243 600184537 /nfs/dbraw/zinc/18/45/37/600184537.db2.gz IJAPQSQYTNYWCT-UHFFFAOYSA-N -1 0 347.421 3.503 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC000736616853 600189715 /nfs/dbraw/zinc/18/97/15/600189715.db2.gz BJETWWHIBHGYOW-CYBMUJFWSA-N -1 0 330.405 3.648 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000347144576 600192880 /nfs/dbraw/zinc/19/28/80/600192880.db2.gz XQYRTTMBYKUWFE-INIZCTEOSA-N -1 0 329.421 3.823 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000178212518 600193260 /nfs/dbraw/zinc/19/32/60/600193260.db2.gz DDYXXZBKNIIEQV-UHFFFAOYSA-N -1 0 334.375 3.652 20 0 EHADRM CN(C(=O)c1cc2cc(Cl)ccc2[nH]1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737332772 600196608 /nfs/dbraw/zinc/19/66/08/600196608.db2.gz BYZMMRLGTASPJP-MRXNPFEDSA-N -1 0 342.782 3.719 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c(F)c1 ZINC000261816774 600199371 /nfs/dbraw/zinc/19/93/71/600199371.db2.gz GWPOMKTUGALRHC-WPRPVWTQSA-N -1 0 333.281 3.831 20 0 EHADRM O=C([O-])c1ccc(NC(=O)/C=C/c2ccc(Cl)s2)c(F)c1 ZINC000063009006 600199759 /nfs/dbraw/zinc/19/97/59/600199759.db2.gz CYWWJTAZRROUEZ-ZZXKWVIFSA-N -1 0 325.748 3.891 20 0 EHADRM Cn1ccc2c1cccc2C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000739038409 600202583 /nfs/dbraw/zinc/20/25/83/600202583.db2.gz GBGOOGCIYHAJSU-UHFFFAOYSA-N -1 0 328.755 3.782 20 0 EHADRM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)C=C1CCCCC1 ZINC000739724082 600204634 /nfs/dbraw/zinc/20/46/34/600204634.db2.gz GHJNSMYTCZPBHR-UHFFFAOYSA-N -1 0 337.366 3.659 20 0 EHADRM CCN(C(=O)CNc1cc(Cl)cc(C(=O)[O-])c1)C1CCCCC1 ZINC000737060457 600207084 /nfs/dbraw/zinc/20/70/84/600207084.db2.gz MCZXXMSACGQFOM-UHFFFAOYSA-N -1 0 338.835 3.631 20 0 EHADRM COc1ccc(NC(=O)C[C@@H](C)c2cccc(F)c2)c(C(=O)[O-])c1 ZINC000738028934 600207586 /nfs/dbraw/zinc/20/75/86/600207586.db2.gz XBVDOPKZYYIPCM-LLVKDONJSA-N -1 0 331.343 3.665 20 0 EHADRM CC[C@@](NC(=O)C[C@@H](C)c1cccc(F)c1)(C(=O)[O-])c1ccccc1 ZINC000485373053 600207921 /nfs/dbraw/zinc/20/79/21/600207921.db2.gz NKNYNOYULWWUNY-VLIAUNLRSA-N -1 0 343.398 3.826 20 0 EHADRM CN(CC(=O)Nc1cccc(CSCc2ccccc2)c1)C(=O)[O-] ZINC000737396264 600208955 /nfs/dbraw/zinc/20/89/55/600208955.db2.gz FDCWMWUAQIFMSX-UHFFFAOYSA-N -1 0 344.436 3.668 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)C[C@H](C)c2ccccc2C)C(=O)[O-])cc1 ZINC000486414704 600212331 /nfs/dbraw/zinc/21/23/31/600212331.db2.gz WFZVBFPEJXQYAD-QFBILLFUSA-N -1 0 339.435 3.782 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)C[C@@H](C)c2cccc(F)c2)C(=O)[O-])cc1 ZINC000486389926 600212369 /nfs/dbraw/zinc/21/23/69/600212369.db2.gz YDJVHIQGIQMNES-RDTXWAMCSA-N -1 0 343.398 3.612 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000262135291 600214859 /nfs/dbraw/zinc/21/48/59/600214859.db2.gz OGVGSGHSBGPZPR-WBVHZDCISA-N -1 0 341.432 3.772 20 0 EHADRM CN(Cc1coc(-c2cccs2)n1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737496852 600215044 /nfs/dbraw/zinc/21/50/44/600215044.db2.gz LBXJVYMCJWURDL-OAHLLOKOSA-N -1 0 328.393 3.661 20 0 EHADRM Cc1ccc(C)c(SCC(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000177473893 600215389 /nfs/dbraw/zinc/21/53/89/600215389.db2.gz CDCJMNGDLQSQDH-OAHLLOKOSA-N -1 0 341.432 3.611 20 0 EHADRM O=C([O-])c1ccoc1CN1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000518546320 600217717 /nfs/dbraw/zinc/21/77/17/600217717.db2.gz FCXAENAUKQZDBC-CQSZACIVSA-N -1 0 337.828 3.921 20 0 EHADRM Cc1ccc(CCC(=O)N2C[C@H](C(=O)[O-])c3ccccc32)cc1Cl ZINC000325294597 600226894 /nfs/dbraw/zinc/22/68/94/600226894.db2.gz TUQPXSQHDKLKIW-HNNXBMFYSA-N -1 0 343.810 3.796 20 0 EHADRM CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000737147769 600227719 /nfs/dbraw/zinc/22/77/19/600227719.db2.gz ZDJSMILDFRRECD-UHFFFAOYSA-N -1 0 343.339 3.597 20 0 EHADRM CCC1=C(C(=O)[O-])[C@@H](c2cccs2)NC(=O)N1Cc1cccs1 ZINC000736931706 600228348 /nfs/dbraw/zinc/22/83/48/600228348.db2.gz IGQLTAWWQPTJKY-CQSZACIVSA-N -1 0 348.449 3.825 20 0 EHADRM CC(=O)Nc1ccc(NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1C ZINC000736158739 600233269 /nfs/dbraw/zinc/23/32/69/600233269.db2.gz BUTLYWLOVFCEFL-UHFFFAOYSA-N -1 0 341.367 3.604 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)CCc2cc(Cl)cs2)c1 ZINC000238100274 600246525 /nfs/dbraw/zinc/24/65/25/600246525.db2.gz FDDLVILDANOKBX-UHFFFAOYSA-N -1 0 327.764 3.810 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)/C=C/c1ccc(Cl)cc1 ZINC000738084890 600248572 /nfs/dbraw/zinc/24/85/72/600248572.db2.gz JADCFCXLPBOESF-JXMROGBWSA-N -1 0 332.739 3.666 20 0 EHADRM CC(C)c1ocnc1C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000736531114 600250085 /nfs/dbraw/zinc/25/00/85/600250085.db2.gz VKJVKFIDOTYKSW-UHFFFAOYSA-N -1 0 344.392 3.641 20 0 EHADRM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cccc(C(=O)[O-])c1 ZINC000237356405 600253202 /nfs/dbraw/zinc/25/32/02/600253202.db2.gz HPICNUMXBBJSPF-WBMJQRKESA-N -1 0 327.355 3.542 20 0 EHADRM Cc1cc(NC(=O)CCc2ccc(-c3ccccc3)o2)c(C(=O)[O-])[nH]1 ZINC000738427982 600257676 /nfs/dbraw/zinc/25/76/76/600257676.db2.gz NCDIZXSBDMPVPJ-UHFFFAOYSA-N -1 0 338.363 3.853 20 0 EHADRM CCO[C@@H](C)c1nc(COc2cc(OC)ccc2C(=O)[O-])cs1 ZINC000737158425 600260153 /nfs/dbraw/zinc/26/01/53/600260153.db2.gz RBMXLMVKNSGYKM-JTQLQIEISA-N -1 0 337.397 3.526 20 0 EHADRM O=C([O-])c1sc(N2CC[C@H](Cc3ccc(F)cc3)C2)nc1Cl ZINC000740279034 600260635 /nfs/dbraw/zinc/26/06/35/600260635.db2.gz MVDQEYLZRJMFCJ-SNVBAGLBSA-N -1 0 340.807 3.703 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(C(=O)CCCCCc1cccs1)CC2 ZINC000262488351 600268201 /nfs/dbraw/zinc/26/82/01/600268201.db2.gz VWOQRTACWMKLKV-HNNXBMFYSA-N -1 0 335.469 3.564 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)s1 ZINC000630292415 600274479 /nfs/dbraw/zinc/27/44/79/600274479.db2.gz ZTCYZWFGMKELMS-NSHDSACASA-N -1 0 335.812 3.729 20 0 EHADRM CC(C)(NC(=O)Nc1ccc(CC(=O)[O-])cc1)c1cccc(F)c1 ZINC000736324331 600276952 /nfs/dbraw/zinc/27/69/52/600276952.db2.gz KGJQGXPQISGKOZ-UHFFFAOYSA-N -1 0 330.359 3.510 20 0 EHADRM O=C([O-])[C@H]1CC12CCN(C(=O)c1ccc3c(c1)-c1ccccc1C3)CC2 ZINC000739533667 600278476 /nfs/dbraw/zinc/27/84/76/600278476.db2.gz OQYCUZKKDIJHMP-LJQANCHMSA-N -1 0 347.414 3.585 20 0 EHADRM CN(Cc1ccc(NC(=O)CCc2cc(F)ccc2F)cc1)C(=O)[O-] ZINC000737479676 600284000 /nfs/dbraw/zinc/28/40/00/600284000.db2.gz VZMWFOYOBMJGOL-UHFFFAOYSA-N -1 0 348.349 3.646 20 0 EHADRM CN(Cc1ccc(NC(=O)C(F)(F)c2ccccc2)cc1)C(=O)[O-] ZINC000737478203 600284381 /nfs/dbraw/zinc/28/43/81/600284381.db2.gz NERCECJREHSRFJ-UHFFFAOYSA-N -1 0 334.322 3.527 20 0 EHADRM CN(Cc1ccc(NC(=O)C[C@H]2CCc3ccccc32)cc1)C(=O)[O-] ZINC000737479305 600286666 /nfs/dbraw/zinc/28/66/66/600286666.db2.gz STVUHDCIDFLEPR-MRXNPFEDSA-N -1 0 338.407 3.855 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000739993115 600289156 /nfs/dbraw/zinc/28/91/56/600289156.db2.gz YLPMEWCTHFZCSX-UHFFFAOYSA-N -1 0 338.285 3.725 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N[C@@H]2CCc3ccc(F)cc32)c1 ZINC000739463812 600291287 /nfs/dbraw/zinc/29/12/87/600291287.db2.gz WQTVHPLKNAZOSE-OAHLLOKOSA-N -1 0 348.761 3.986 20 0 EHADRM CCCCc1ccc(CC(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000737001690 600292518 /nfs/dbraw/zinc/29/25/18/600292518.db2.gz YLYXBEWCUKBDIX-UHFFFAOYSA-N -1 0 340.423 3.978 20 0 EHADRM Cc1cccc(C)c1OCC(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000738689576 600321293 /nfs/dbraw/zinc/32/12/93/600321293.db2.gz NCLQOMNVAPTNQN-QGZVFWFLSA-N -1 0 348.782 3.705 20 0 EHADRM C[C@@H]1CCCC[C@H]1OCC(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000736786191 600330273 /nfs/dbraw/zinc/33/02/73/600330273.db2.gz TWGKHZFOYIGZRN-XFJVYGCCSA-N -1 0 340.803 3.604 20 0 EHADRM C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1Cc1ccc(F)cc1C(=O)[O-] ZINC000736823553 600331726 /nfs/dbraw/zinc/33/17/26/600331726.db2.gz XMAYCBBEMWJTQN-TYILLQQXSA-N -1 0 343.398 3.874 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405388089 600333310 /nfs/dbraw/zinc/33/33/10/600333310.db2.gz HMCAFZXSXXCCED-OAHLLOKOSA-N -1 0 330.428 3.837 20 0 EHADRM O=C([O-])CCSCCNC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000739743465 600333992 /nfs/dbraw/zinc/33/39/92/600333992.db2.gz IAKUBQWAHHBYCM-UHFFFAOYSA-N -1 0 344.436 3.683 20 0 EHADRM CC1(C)CO[C@H](c2ccccc2Cl)CN1Cc1cc(C(=O)[O-])co1 ZINC000736736238 600336262 /nfs/dbraw/zinc/33/62/62/600336262.db2.gz AHSMWURUKKTGMW-INIZCTEOSA-N -1 0 349.814 3.983 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NC[C@@H]2CCc3ccccc3C2)cc1 ZINC000738666238 600337455 /nfs/dbraw/zinc/33/74/55/600337455.db2.gz VBEIMTYVPSFRHC-CYBMUJFWSA-N -1 0 339.395 3.703 20 0 EHADRM CCOCc1cccc(NC(=O)Nc2ccc(CNC(=O)[O-])cc2)c1 ZINC000737178433 600338345 /nfs/dbraw/zinc/33/83/45/600338345.db2.gz WKRVNTYKYMNWRZ-UHFFFAOYSA-N -1 0 343.383 3.635 20 0 EHADRM CS[C@@H]1CCC[C@H](NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000738181559 600339700 /nfs/dbraw/zinc/33/97/00/600339700.db2.gz LPVQJEOCIZREOM-GXSJLCMTSA-N -1 0 341.408 3.711 20 0 EHADRM Cc1ccc(CN(C)C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)s1 ZINC000738593873 600345403 /nfs/dbraw/zinc/34/54/03/600345403.db2.gz DGQALGAYXWHHDH-UHFFFAOYSA-N -1 0 347.440 3.830 20 0 EHADRM C[C@H](OC(=O)C1(c2ccccc2F)CC1)c1ccc(C(=O)[O-])cc1 ZINC000738228402 600352702 /nfs/dbraw/zinc/35/27/02/600352702.db2.gz VOCOOKOQHWCRAZ-LBPRGKRZSA-N -1 0 328.339 3.860 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)N(Cc2ccccc2)C2CC2)cc1 ZINC000739987891 600354918 /nfs/dbraw/zinc/35/49/18/600354918.db2.gz GJAUBIKNTAJDIE-UHFFFAOYSA-N -1 0 339.395 3.651 20 0 EHADRM CC(C)N(Cc1cccs1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736474307 600357460 /nfs/dbraw/zinc/35/74/60/600357460.db2.gz JXBRIKZIJGFJLK-UHFFFAOYSA-N -1 0 347.440 3.958 20 0 EHADRM CC[C@@H](CC(=O)Nc1nc(C)c(C(=O)[O-])s1)c1ccc(C)cc1 ZINC000736891903 600368137 /nfs/dbraw/zinc/36/81/37/600368137.db2.gz ILOPUSARYPUUKV-LBPRGKRZSA-N -1 0 332.425 3.981 20 0 EHADRM Cc1cc(NC(=O)c2cc(C)n(-c3ccccc3)n2)sc1C(=O)[O-] ZINC000738449125 600372218 /nfs/dbraw/zinc/37/22/18/600372218.db2.gz UUZADCRMWBRNPL-UHFFFAOYSA-N -1 0 341.392 3.501 20 0 EHADRM CC[C@@](C)(NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000262508666 600376666 /nfs/dbraw/zinc/37/66/66/600376666.db2.gz ZVXZOUPCFTXXBK-ZUZCIYMTSA-N -1 0 331.334 3.569 20 0 EHADRM CC[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c1ccc(C)cc1 ZINC000236928397 600377568 /nfs/dbraw/zinc/37/75/68/600377568.db2.gz SHMTXAPOPDEQTR-HKUYNNGSSA-N -1 0 339.435 3.691 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000236952180 600378138 /nfs/dbraw/zinc/37/81/38/600378138.db2.gz FFRJJYPVFYVPIQ-KXBFYZLASA-N -1 0 339.435 3.555 20 0 EHADRM C[C@@H](C(=O)Nc1cccc(CSCC(=O)[O-])c1)c1ccsc1 ZINC000262413271 600378721 /nfs/dbraw/zinc/37/87/21/600378721.db2.gz OOMPGYJLTZFTLG-LLVKDONJSA-N -1 0 335.450 3.808 20 0 EHADRM CC(C)c1nnc(S[C@@H](C(=O)[O-])c2cccc(Cl)c2)n1C ZINC000736533530 600378826 /nfs/dbraw/zinc/37/88/26/600378826.db2.gz XYJXIEKMKUEWRL-LLVKDONJSA-N -1 0 325.821 3.510 20 0 EHADRM CC[C@@](NC(=O)CC/C=C/c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000485381377 600378990 /nfs/dbraw/zinc/37/89/90/600378990.db2.gz JONKECBKEGINQF-TZTLJZABSA-N -1 0 337.419 3.986 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736628139 600379259 /nfs/dbraw/zinc/37/92/59/600379259.db2.gz WBGLRWREDSCSNC-CYBMUJFWSA-N -1 0 344.386 3.753 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000236831643 600381167 /nfs/dbraw/zinc/38/11/67/600381167.db2.gz GGAWSSQIUITXDA-UHFFFAOYSA-N -1 0 325.408 3.656 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)/C=C/c1ccnc2ccccc12 ZINC000740188179 600381627 /nfs/dbraw/zinc/38/16/27/600381627.db2.gz HRNNXVHDBOVDES-SOFGYWHQSA-N -1 0 344.370 3.536 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1csc(C2CC2)n1)c1ccccc1 ZINC000736850207 600383749 /nfs/dbraw/zinc/38/37/49/600383749.db2.gz DMXLLNJLFIFMHE-AWEZNQCLSA-N -1 0 330.409 3.531 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1ccccc1SC)c1ccccc1 ZINC000736849927 600384506 /nfs/dbraw/zinc/38/45/06/600384506.db2.gz BVGVEPDUKSNJGU-HNNXBMFYSA-N -1 0 329.421 3.919 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)CCc2cccc(Cl)c2)cc1 ZINC000740016453 600384705 /nfs/dbraw/zinc/38/47/05/600384705.db2.gz GIVICMRUEMXWRK-UHFFFAOYSA-N -1 0 346.814 3.721 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)CC2 ZINC000738671583 600384726 /nfs/dbraw/zinc/38/47/26/600384726.db2.gz ZVYGELDXCWCQRT-INIZCTEOSA-N -1 0 328.343 3.641 20 0 EHADRM CN(Cc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000390682271 600387501 /nfs/dbraw/zinc/38/75/01/600387501.db2.gz WGYMIDUEYWKZOS-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000740021092 600387783 /nfs/dbraw/zinc/38/77/83/600387783.db2.gz UTCDHTSWHMMNEU-UHFFFAOYSA-N -1 0 338.407 3.628 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)COC2CCCC2)cc1 ZINC000262527791 600392439 /nfs/dbraw/zinc/39/24/39/600392439.db2.gz NZZZJHUSRKPCCL-KRWDZBQOSA-N -1 0 347.455 3.575 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)N2CCCC3(CCCCC3)C2)cc1 ZINC000739878563 600393017 /nfs/dbraw/zinc/39/30/17/600393017.db2.gz FYPXTBYKYKDCCL-UHFFFAOYSA-N -1 0 330.428 3.892 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)NC[C@@H]2CCc3ccccc32)ccc1F ZINC000740007131 600394043 /nfs/dbraw/zinc/39/40/43/600394043.db2.gz HXHHGGJUXFVXTL-LBPRGKRZSA-N -1 0 343.358 3.767 20 0 EHADRM C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000736716065 600395971 /nfs/dbraw/zinc/39/59/71/600395971.db2.gz HGRIWDJDMMSOAB-JTQLQIEISA-N -1 0 334.322 3.888 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000739466774 600399878 /nfs/dbraw/zinc/39/98/78/600399878.db2.gz JXURCSFYBYQVSX-NXEZZACHSA-N -1 0 348.296 3.767 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N(Cc2cccs2)C2CC2)c(F)c1 ZINC000320520100 600401915 /nfs/dbraw/zinc/40/19/15/600401915.db2.gz GNPPEECEHXJAHG-UHFFFAOYSA-N -1 0 334.372 3.782 20 0 EHADRM Cc1ccccc1CC(C)(C)NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000738769245 600402406 /nfs/dbraw/zinc/40/24/06/600402406.db2.gz QTYZXMOBUXVFKJ-UHFFFAOYSA-N -1 0 344.386 3.975 20 0 EHADRM CC(C)(C)/C=C\C(=O)Oc1ccc(Br)cc1C(=O)[O-] ZINC000736249996 600407032 /nfs/dbraw/zinc/40/70/32/600407032.db2.gz FEEHOSLMDHAVNP-SREVYHEPSA-N -1 0 327.174 3.655 20 0 EHADRM Cc1cccc(C[C@@H](CNC(=O)[C@H](C)CC2CCCC2)C(=O)[O-])c1 ZINC000237365599 600413613 /nfs/dbraw/zinc/41/36/13/600413613.db2.gz GJGIRTBAKODBCC-QAPCUYQASA-N -1 0 331.456 3.571 20 0 EHADRM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)c2cccc(C(=O)[O-])n2)cc1 ZINC000439797092 600415282 /nfs/dbraw/zinc/41/52/82/600415282.db2.gz ZYKOEDURUIBSNX-RDTXWAMCSA-N -1 0 338.407 3.702 20 0 EHADRM CCOc1ccc(N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1OCC ZINC000737203964 600417211 /nfs/dbraw/zinc/41/72/11/600417211.db2.gz UDEWYQPQYBZKPU-QGZVFWFLSA-N -1 0 333.359 3.861 20 0 EHADRM O=C([O-])[C@H](Nc1ccc(NC(=O)c2ccco2)cc1)c1ccccc1 ZINC000738509747 600421152 /nfs/dbraw/zinc/42/11/52/600421152.db2.gz DRVOCELCWIHXJZ-QGZVFWFLSA-N -1 0 336.347 3.770 20 0 EHADRM C[C@H](OC(=O)c1ccc(C(=O)[O-])cc1)c1nc2cc(Cl)ccc2[nH]1 ZINC000736690164 600422734 /nfs/dbraw/zinc/42/27/34/600422734.db2.gz MIXKEXQNSGDICX-VIFPVBQESA-N -1 0 344.754 3.833 20 0 EHADRM COCCOc1cccc(N[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000737821077 600425998 /nfs/dbraw/zinc/42/59/98/600425998.db2.gz NAPLFRNWWBEXRU-MRXNPFEDSA-N -1 0 335.787 3.603 20 0 EHADRM C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4cc(C(=O)[O-])ccn4)cc3c2C1 ZINC000736800511 600426736 /nfs/dbraw/zinc/42/67/36/600426736.db2.gz DSOVBSLQUOVZQO-NSHDSACASA-N -1 0 349.390 3.638 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)C[C@@H]2CCc3ccccc3C2)cc1 ZINC000262265633 600427288 /nfs/dbraw/zinc/42/72/88/600427288.db2.gz ZKDLCSZRIULKSF-MRXNPFEDSA-N -1 0 337.419 3.838 20 0 EHADRM Cc1ccc(C)n1C1CCN(c2nc(Cl)c(C(=O)[O-])s2)CC1 ZINC000738578676 600433451 /nfs/dbraw/zinc/43/34/51/600433451.db2.gz HOPDLZWCBPSWFV-UHFFFAOYSA-N -1 0 339.848 3.755 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(NCc3cc(C(C)C)no3)c12 ZINC000738363145 600435836 /nfs/dbraw/zinc/43/58/36/600435836.db2.gz DWONAHARFPXAEK-UHFFFAOYSA-N -1 0 346.412 3.730 20 0 EHADRM O=C([O-])[C@H](Nc1ccn(Cc2ccccc2)n1)c1cccc(Cl)c1 ZINC000739511991 600439794 /nfs/dbraw/zinc/43/97/94/600439794.db2.gz LDKCGMQZEBLGIK-QGZVFWFLSA-N -1 0 341.798 3.823 20 0 EHADRM O=C([O-])[C@H](OC(=O)Cc1cccc2ccccc21)c1ccc(F)cc1 ZINC000739345227 600444657 /nfs/dbraw/zinc/44/46/57/600444657.db2.gz OASVAGJKNQFPNP-LJQANCHMSA-N -1 0 338.334 3.891 20 0 EHADRM O=C([O-])[C@H](OC(=O)CCc1ccccc1Cl)c1ccc(F)cc1 ZINC000739258839 600445489 /nfs/dbraw/zinc/44/54/89/600445489.db2.gz DSFPYEHQCAOCMJ-MRXNPFEDSA-N -1 0 336.746 3.781 20 0 EHADRM CCSc1ccccc1C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737228626 600449297 /nfs/dbraw/zinc/44/92/97/600449297.db2.gz CEADCDSJMYCSAU-OAHLLOKOSA-N -1 0 334.368 3.920 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cnc(Cl)c(Cl)c1)c1ccc(F)cc1 ZINC000740289650 600449648 /nfs/dbraw/zinc/44/96/48/600449648.db2.gz GBTAOONWVNDXLK-LLVKDONJSA-N -1 0 344.125 3.510 20 0 EHADRM Cc1oc(CN(C)C(=O)NCC[C@@H]2CCCC[C@H]2C)cc1C(=O)[O-] ZINC000738967058 600452154 /nfs/dbraw/zinc/45/21/54/600452154.db2.gz IWCVCBXVAMOXIJ-OCCSQVGLSA-N -1 0 336.432 3.644 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)Nc2cccc(Cl)c2)cc1 ZINC000740022491 600454553 /nfs/dbraw/zinc/45/45/53/600454553.db2.gz CXYFKFHUIKJISX-UHFFFAOYSA-N -1 0 333.775 3.794 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccccc1OCC1CC1)c1ccc(F)cc1 ZINC000740289106 600455057 /nfs/dbraw/zinc/45/50/57/600455057.db2.gz DERYFLGNFCCALL-QGZVFWFLSA-N -1 0 344.338 3.597 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1csc(-c2ccoc2)n1)c1ccc(F)cc1 ZINC000740289644 600455877 /nfs/dbraw/zinc/45/58/77/600455877.db2.gz FZYQUZRKZFYURB-ZDUSSCGKSA-N -1 0 347.323 3.525 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1NC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736941392 600457016 /nfs/dbraw/zinc/45/70/16/600457016.db2.gz LNTFECZKKYBUFO-ZBFHGGJFSA-N -1 0 333.432 3.587 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)NCCCC2CCCCC2)cc1 ZINC000740017496 600457475 /nfs/dbraw/zinc/45/74/75/600457475.db2.gz IIXAFLUYNVGAHL-UHFFFAOYSA-N -1 0 347.459 3.979 20 0 EHADRM CCC[C@@H]1CCCC[C@@H]1NC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736972770 600459008 /nfs/dbraw/zinc/45/90/08/600459008.db2.gz GKDHLVRNABAZAY-WBVHZDCISA-N -1 0 347.459 3.977 20 0 EHADRM C[C@H]1CCCC[C@@H]1CCNC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736783921 600459987 /nfs/dbraw/zinc/45/99/87/600459987.db2.gz ZZJGFVIDHJOGMM-GOEBONIOSA-N -1 0 347.459 3.835 20 0 EHADRM CC(C)[C@H]1CCC[C@@H](NC(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000736394911 600462161 /nfs/dbraw/zinc/46/21/61/600462161.db2.gz LEPDSIDYJFMDRE-DOTOQJQBSA-N -1 0 347.459 3.833 20 0 EHADRM Cc1c(NC(=O)N[C@@H]2CSc3ccccc32)cccc1C(=O)[O-] ZINC000738304269 600463200 /nfs/dbraw/zinc/46/32/00/600463200.db2.gz MSKBKVXVOCUTEM-CQSZACIVSA-N -1 0 328.393 3.662 20 0 EHADRM CC(C)(C)c1cc2c([nH]c(Cc3ccc(C(=O)[O-])o3)nc2=O)s1 ZINC000736294252 600465412 /nfs/dbraw/zinc/46/54/12/600465412.db2.gz MFFXVVBNUUTHEO-UHFFFAOYSA-N -1 0 332.381 3.576 20 0 EHADRM Cc1ncc(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)c(C(C)C)n1 ZINC000738881318 600467391 /nfs/dbraw/zinc/46/73/91/600467391.db2.gz GVUMCIDKRVAJIY-UHFFFAOYSA-N -1 0 333.775 3.512 20 0 EHADRM O=C([O-])c1ccc(CNC(=S)Nc2cc(Cl)cc(Cl)c2)o1 ZINC000740130859 600467960 /nfs/dbraw/zinc/46/79/60/600467960.db2.gz VJZWQWIRIDLDFV-UHFFFAOYSA-N -1 0 345.207 3.771 20 0 EHADRM C[C@H](OC(=O)c1coc(-c2ccccc2)n1)c1ccc(C(=O)[O-])o1 ZINC000736696800 600469589 /nfs/dbraw/zinc/46/95/89/600469589.db2.gz NVBLTQDHQRKPSE-JTQLQIEISA-N -1 0 327.292 3.551 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000261618136 600472153 /nfs/dbraw/zinc/47/21/53/600472153.db2.gz FQRZBOMCWQSVEK-KRWDZBQOSA-N -1 0 338.407 3.606 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000261710032 600472581 /nfs/dbraw/zinc/47/25/81/600472581.db2.gz POCZRNQDMGQADS-AWEZNQCLSA-N -1 0 336.391 3.586 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)c1ccccc1OC1CCC1 ZINC000737865150 600474660 /nfs/dbraw/zinc/47/46/60/600474660.db2.gz JAROSPOCMJNFIX-UHFFFAOYSA-N -1 0 342.347 3.544 20 0 EHADRM CC[C@H](C)[C@@H]1CCCCN1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000736880361 600476485 /nfs/dbraw/zinc/47/64/85/600476485.db2.gz OWNAQRRNQPSCOZ-BBRMVZONSA-N -1 0 334.416 3.583 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)c2ccccc2OC2CCC2)cc1 ZINC000739992618 600476756 /nfs/dbraw/zinc/47/67/56/600476756.db2.gz RNDGTQFFAHYCBG-UHFFFAOYSA-N -1 0 340.379 3.638 20 0 EHADRM Cc1ccc([C@H](C)CNC(=O)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC000738550690 600476787 /nfs/dbraw/zinc/47/67/87/600476787.db2.gz FUEFFMUZPRMSRI-CYBMUJFWSA-N -1 0 326.396 3.927 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc3ncsc3c2)cc1Cl ZINC000314721159 600477932 /nfs/dbraw/zinc/47/79/32/600477932.db2.gz YGMNGJCRRWLHDI-UHFFFAOYSA-N -1 0 332.768 3.900 20 0 EHADRM COc1cccc([C@@H](C)C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000181502617 600478403 /nfs/dbraw/zinc/47/84/03/600478403.db2.gz LVEYPGLCPYRRHR-SNVBAGLBSA-N -1 0 333.771 3.789 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccc(F)cc1F ZINC000736913905 600478966 /nfs/dbraw/zinc/47/89/66/600478966.db2.gz HVQYKHAGCPJYSK-INIZCTEOSA-N -1 0 348.349 3.865 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(=O)[nH]c3ccccc32)cc1Cl ZINC000238183990 600479922 /nfs/dbraw/zinc/47/99/22/600479922.db2.gz FHZBKMYTBIEZFF-UHFFFAOYSA-N -1 0 342.738 3.544 20 0 EHADRM CCc1cccc(OCC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000320790367 600479968 /nfs/dbraw/zinc/47/99/68/600479968.db2.gz KVNRKODTWDTOKP-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1 ZINC000238025270 600480330 /nfs/dbraw/zinc/48/03/30/600480330.db2.gz GHJIKEHUGMNFTE-UHFFFAOYSA-N -1 0 345.420 3.733 20 0 EHADRM C[C@@H](Cc1ccccc1)C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000237351237 600480358 /nfs/dbraw/zinc/48/03/58/600480358.db2.gz UDIQJRYQGGSKKD-HNNXBMFYSA-N -1 0 341.407 3.748 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCc2cccc(F)c2F)cc1Cl ZINC000238112459 600480967 /nfs/dbraw/zinc/48/09/67/600480967.db2.gz BJCROQUTVPCMQD-UHFFFAOYSA-N -1 0 339.725 3.888 20 0 EHADRM CC[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736930409 600481189 /nfs/dbraw/zinc/48/11/89/600481189.db2.gz VKBRICYKFJWTED-HNNXBMFYSA-N -1 0 346.362 3.926 20 0 EHADRM O=C([O-])CCCOc1ccc(CNC(=O)c2ccccc2Cl)cc1 ZINC000237998841 600481496 /nfs/dbraw/zinc/48/14/96/600481496.db2.gz GUTDPLWTEMIDKN-UHFFFAOYSA-N -1 0 347.798 3.514 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)CCc2ccccc2F)cc1 ZINC000238001385 600482069 /nfs/dbraw/zinc/48/20/69/600482069.db2.gz LFDCUGIEAQIKAP-UHFFFAOYSA-N -1 0 345.370 3.641 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c(C)s1 ZINC000237792791 600482179 /nfs/dbraw/zinc/48/21/79/600482179.db2.gz AMAISMIGROKDOS-UHFFFAOYSA-N -1 0 333.409 3.861 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1cc(Cl)ccc1Cl ZINC000263047568 600492517 /nfs/dbraw/zinc/49/25/17/600492517.db2.gz QTLSQYGJUZPVBD-NXEZZACHSA-N -1 0 345.226 3.561 20 0 EHADRM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)c1cccc(C(=O)[O-])n1 ZINC000362531214 600496612 /nfs/dbraw/zinc/49/66/12/600496612.db2.gz CSNVHIBYNSCERV-QGZVFWFLSA-N -1 0 326.396 3.558 20 0 EHADRM CCc1ccc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)s1 ZINC000737255791 600496617 /nfs/dbraw/zinc/49/66/17/600496617.db2.gz BRGSDCDWEYBUSW-UHFFFAOYSA-N -1 0 333.409 3.806 20 0 EHADRM Cc1c(NC(=O)NCCOC2CCCCCC2)cccc1C(=O)[O-] ZINC000738304327 600505865 /nfs/dbraw/zinc/50/58/65/600505865.db2.gz OKXYTZRRNRRBDW-UHFFFAOYSA-N -1 0 334.416 3.554 20 0 EHADRM COCc1cccc(NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000320263928 600514559 /nfs/dbraw/zinc/51/45/59/600514559.db2.gz AFFOHMZIWRFFCS-UHFFFAOYSA-N -1 0 334.759 3.829 20 0 EHADRM Cc1oc(COC(=O)Cc2c[nH]c3ccc(Cl)cc23)cc1C(=O)[O-] ZINC000738980330 600522047 /nfs/dbraw/zinc/52/20/47/600522047.db2.gz FJPGUUPDOSMSKH-UHFFFAOYSA-N -1 0 347.754 3.707 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)[C@H](C)c1cccc(C)c1 ZINC000737871210 600522919 /nfs/dbraw/zinc/52/29/19/600522919.db2.gz IVHHHGBLRJAFSV-QQBNSCQMSA-N -1 0 340.375 3.811 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000621556134 600527141 /nfs/dbraw/zinc/52/71/41/600527141.db2.gz CTAUTTWCDPYUOP-IBGZPJMESA-N -1 0 337.419 3.742 20 0 EHADRM Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)N(C)C(=O)CCC(=O)[O-] ZINC000647143570 600529326 /nfs/dbraw/zinc/52/93/26/600529326.db2.gz BZIHJLKNTQOSFA-CYBMUJFWSA-N -1 0 346.452 3.811 20 0 EHADRM C[C@H]1CCC[C@@H](OCC(=O)Nc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000736773915 600533075 /nfs/dbraw/zinc/53/30/75/600533075.db2.gz CSTGDVQLYYEXHA-CMPLNLGQSA-N -1 0 325.792 3.572 20 0 EHADRM COc1ccccc1CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000738124125 600533885 /nfs/dbraw/zinc/53/38/85/600533885.db2.gz KUQMIJLULXTUQJ-UHFFFAOYSA-N -1 0 345.370 3.740 20 0 EHADRM C[C@H]1CCC[C@H](OCC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000676001873 600533968 /nfs/dbraw/zinc/53/39/68/600533968.db2.gz CFAVNYVMSOFKGI-JQWIXIFHSA-N -1 0 325.792 3.572 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000740108938 600539092 /nfs/dbraw/zinc/53/90/92/600539092.db2.gz DSOQTETZCJRYTE-INIZCTEOSA-N -1 0 331.318 3.640 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)Nc2cc(Cl)cc3cccnc32)o1 ZINC000739438382 600541128 /nfs/dbraw/zinc/54/11/28/600541128.db2.gz WCFCHKVDTUQQJE-UHFFFAOYSA-N -1 0 345.742 3.501 20 0 EHADRM CC(C)[C@@H]1CCCN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)CC1 ZINC000325901490 600543619 /nfs/dbraw/zinc/54/36/19/600543619.db2.gz WZMLOYBBEWDMOH-MRXNPFEDSA-N -1 0 332.444 3.994 20 0 EHADRM Cc1cccc(C)c1OCCCOC(=O)c1ccccc1C(=O)[O-] ZINC000738689745 600545409 /nfs/dbraw/zinc/54/54/09/600545409.db2.gz QLHOIVLZVQQBSJ-UHFFFAOYSA-N -1 0 328.364 3.628 20 0 EHADRM CCc1ccc([C@@H]2CCCCCN2C(=O)c2cccc(C(=O)[O-])n2)o1 ZINC000262400229 600551136 /nfs/dbraw/zinc/55/11/36/600551136.db2.gz MBJAIILRVSLRDE-INIZCTEOSA-N -1 0 342.395 3.693 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)CO[C@H]1CCCC[C@H]1C ZINC000262440538 600553872 /nfs/dbraw/zinc/55/38/72/600553872.db2.gz UNPBXTLWWBBFBE-CJNGLKHVSA-N -1 0 349.427 3.706 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000236751386 600556910 /nfs/dbraw/zinc/55/69/10/600556910.db2.gz IFIWXZYBUCLBJD-NEPJUHHUSA-N -1 0 344.238 3.809 20 0 EHADRM CC(C)(CNC(=O)c1cccc(C(=O)[O-])c1)c1ccc(F)cc1Cl ZINC000736323360 600564467 /nfs/dbraw/zinc/56/44/67/600564467.db2.gz BYBYIHMZAWDGCR-UHFFFAOYSA-N -1 0 349.789 3.885 20 0 EHADRM O=C([O-])c1cc(NC(=O)Cc2cnc3ccccc3c2)ccc1Cl ZINC000739352347 600564760 /nfs/dbraw/zinc/56/47/60/600564760.db2.gz YLDFOOMNHRYNHV-UHFFFAOYSA-N -1 0 340.766 3.768 20 0 EHADRM CC(C)[C@@H](CC1CCCCC1)C(=O)Nc1cc(C(=O)[O-])c[nH]c1=O ZINC000736353089 600570640 /nfs/dbraw/zinc/57/06/40/600570640.db2.gz MRXGDYSRQUDZTJ-CQSZACIVSA-N -1 0 334.416 3.667 20 0 EHADRM CC(=O)Nc1c(C)ccc(NC(=O)c2ccccc2NC(=O)[O-])c1C ZINC000736155884 600572330 /nfs/dbraw/zinc/57/23/30/600572330.db2.gz NPSYEBUOPAQILU-UHFFFAOYSA-N -1 0 341.367 3.604 20 0 EHADRM Cc1c(CNC(=O)c2ccccc2NC(=O)[O-])oc2ccc(F)cc12 ZINC000738289203 600574636 /nfs/dbraw/zinc/57/46/36/600574636.db2.gz MNPANVYBIAMLKZ-UHFFFAOYSA-N -1 0 342.326 3.900 20 0 EHADRM COc1c(C)cc(CN(C)C(=O)c2ccccc2NC(=O)[O-])cc1C ZINC000737840341 600576952 /nfs/dbraw/zinc/57/69/52/600576952.db2.gz XUEKCHXBZFDSLB-UHFFFAOYSA-N -1 0 342.395 3.674 20 0 EHADRM Cc1oc(CSc2ncccc2Br)cc1C(=O)[O-] ZINC000079421713 600581574 /nfs/dbraw/zinc/58/15/74/600581574.db2.gz YSETVUSGZPTAJQ-UHFFFAOYSA-N -1 0 328.187 3.736 20 0 EHADRM CC(C)[C@H](S[C@H](C)CC(=O)[O-])C(=O)NC1CCCCCCC1 ZINC000736549330 600586806 /nfs/dbraw/zinc/58/68/06/600586806.db2.gz JJOAGQORKDIPSM-CJNGLKHVSA-N -1 0 329.506 3.837 20 0 EHADRM CN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737312538 600589848 /nfs/dbraw/zinc/58/98/48/600589848.db2.gz DMZIANHAMCBYML-RDBSUJKOSA-N -1 0 343.345 3.639 20 0 EHADRM CCC/C=C\C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000736976309 600598906 /nfs/dbraw/zinc/59/89/06/600598906.db2.gz ZHMIXEQGDWMYHO-IXNMTGGESA-N -1 0 325.408 3.556 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1ccccc1)Cc1cccc2ccccc21 ZINC000486386803 600600214 /nfs/dbraw/zinc/60/02/14/600600214.db2.gz GMQVDEHLJUHPSJ-SFHVURJKSA-N -1 0 333.387 3.513 20 0 EHADRM CN(C(=O)c1cccc(C(F)(F)F)c1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737340457 600601021 /nfs/dbraw/zinc/60/10/21/600601021.db2.gz JCKXTENNMRRSRZ-AWEZNQCLSA-N -1 0 337.297 3.603 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)N(C)[C@@H](C(=O)[O-])c3ccccc3)cc2C1 ZINC000736807310 600602315 /nfs/dbraw/zinc/60/23/15/600602315.db2.gz VKDFPEMYNLRWDN-SJKOYZFVSA-N -1 0 343.448 3.771 20 0 EHADRM O=C([O-])CN(C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)c1ccccc1 ZINC000156264918 600604166 /nfs/dbraw/zinc/60/41/66/600604166.db2.gz IHBZXVRGDNTHPY-HOTGVXAUSA-N -1 0 329.783 3.561 20 0 EHADRM O=C([O-])CN(C(=O)c1cc2cc(Cl)ccc2o1)c1ccccc1 ZINC000156248237 600604657 /nfs/dbraw/zinc/60/46/57/600604657.db2.gz SARKYLDWQDTTJL-UHFFFAOYSA-N -1 0 329.739 3.818 20 0 EHADRM C[C@H](CSCC(=O)Nc1ccccc1Cc1ccccc1)C(=O)[O-] ZINC000736614764 600606912 /nfs/dbraw/zinc/60/69/12/600606912.db2.gz ZVKDYAVYCAPFDE-CQSZACIVSA-N -1 0 343.448 3.670 20 0 EHADRM Cc1cccc(C(C)(C)NC(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000237616431 600607997 /nfs/dbraw/zinc/60/79/97/600607997.db2.gz LPBCLWDSRYLXER-UHFFFAOYSA-N -1 0 325.408 3.677 20 0 EHADRM C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000322757575 600619572 /nfs/dbraw/zinc/61/95/72/600619572.db2.gz YTUDWBJIICIOOL-SECBINFHSA-N -1 0 337.734 3.583 20 0 EHADRM CS[C@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000738180348 600621068 /nfs/dbraw/zinc/62/10/68/600621068.db2.gz ANWWPHHRWCQECX-CABCVRRESA-N -1 0 334.368 3.599 20 0 EHADRM Cc1c(Cl)ccc2c1N(C(=O)c1ccc(C(=O)[O-])cc1)CCC2 ZINC000738290584 600626509 /nfs/dbraw/zinc/62/65/09/600626509.db2.gz RFEJQUQXZWJJCS-UHFFFAOYSA-N -1 0 329.783 3.940 20 0 EHADRM Cc1ccc(NC(=O)N2CCC(C(=O)[O-])CC2)cc1OCCC(C)C ZINC000263112983 600627399 /nfs/dbraw/zinc/62/73/99/600627399.db2.gz VZHAATSJUUIBCZ-UHFFFAOYSA-N -1 0 348.443 3.748 20 0 EHADRM CCc1cccc(CC)c1NC(=O)COc1cc(C)sc1C(=O)[O-] ZINC000737267989 600638821 /nfs/dbraw/zinc/63/88/21/600638821.db2.gz WDOZTRSFNLQMDO-UHFFFAOYSA-N -1 0 347.436 3.897 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1cc2c(cccc2Cl)s1)C(=O)[O-] ZINC000736244175 600642061 /nfs/dbraw/zinc/64/20/61/600642061.db2.gz SGHYYXPMWZDDNL-LBPRGKRZSA-N -1 0 325.817 3.784 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)/C=C/c1ccc2ccc(Cl)cc2n1)C(=O)[O-] ZINC000736243478 600644261 /nfs/dbraw/zinc/64/42/61/600644261.db2.gz VELVYNNSAIRITO-FDMDGMSGSA-N -1 0 346.814 3.517 20 0 EHADRM Cc1ccnc(-c2ccc(NC(=O)c3ccccc3NC(=O)[O-])cc2)n1 ZINC000738793084 600646551 /nfs/dbraw/zinc/64/65/51/600646551.db2.gz PYXRLDUTXZWUPT-UHFFFAOYSA-N -1 0 348.362 3.794 20 0 EHADRM CC(C)(C)[C@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC000179963917 600657361 /nfs/dbraw/zinc/65/73/61/600657361.db2.gz KZXVJDOTIBFSRB-IJEWVQPXSA-N -1 0 335.419 3.920 20 0 EHADRM Cc1cc(COC(=O)c2ccccc2NC(=O)[O-])c2ccccc2n1 ZINC000832885997 600664002 /nfs/dbraw/zinc/66/40/02/600664002.db2.gz UYIAMZMZGQKJPV-UHFFFAOYSA-N -1 0 336.347 3.990 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000827581698 600666574 /nfs/dbraw/zinc/66/65/74/600666574.db2.gz PKUSSDHEUOBHOZ-MLGOLLRUSA-N -1 0 348.395 3.923 20 0 EHADRM CC(C)(C)c1nc(CNc2cc3ccccc3cc2C(=O)[O-])no1 ZINC000736304210 600676557 /nfs/dbraw/zinc/67/65/57/600676557.db2.gz VCWPBJLYVCHUNA-UHFFFAOYSA-N -1 0 325.368 3.831 20 0 EHADRM COc1ccc(OCCNc2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC000738048402 600680224 /nfs/dbraw/zinc/68/02/24/600680224.db2.gz DOZOONUTYDCVDG-UHFFFAOYSA-N -1 0 329.396 3.548 20 0 EHADRM CCOc1ccc(-c2nc(-c3cccc(C(=O)[O-])c3)no2)cc1OC ZINC000830054299 600697625 /nfs/dbraw/zinc/69/76/25/600697625.db2.gz ZWJVGFHUPADWDV-UHFFFAOYSA-N -1 0 340.335 3.509 20 0 EHADRM CC(C)c1ncc(Cl)c(-c2nc(-c3cccc(C(=O)[O-])c3)no2)n1 ZINC000827158831 600698841 /nfs/dbraw/zinc/69/88/41/600698841.db2.gz QXZCKDATEMFBPM-UHFFFAOYSA-N -1 0 344.758 3.669 20 0 EHADRM CC(C)C[C@H](NC(=O)NCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000263295748 600699653 /nfs/dbraw/zinc/69/96/53/600699653.db2.gz WCAHQOBTHOLGBW-AWEZNQCLSA-N -1 0 326.824 3.591 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)c1cc2cccc(F)c2o1 ZINC000833353327 600699655 /nfs/dbraw/zinc/69/96/55/600699655.db2.gz QPLWYNOZJLOOPM-UHFFFAOYSA-N -1 0 332.258 3.766 20 0 EHADRM C[C@H](Cc1nc(-c2cccc(C(=O)[O-])c2)no1)c1ccccc1F ZINC000827597270 600700060 /nfs/dbraw/zinc/70/00/60/600700060.db2.gz QLGXDAHZWBPLFT-LLVKDONJSA-N -1 0 326.327 3.920 20 0 EHADRM C[C@H](C(=O)OCc1occc1C(=O)[O-])c1ccccc1C(F)(F)F ZINC000826072612 600701849 /nfs/dbraw/zinc/70/18/49/600701849.db2.gz YQQTUSDDCMRDBJ-VIFPVBQESA-N -1 0 342.269 3.844 20 0 EHADRM Cc1nc(C2CCCC2)sc1C(=O)Nc1cccc(C(=O)[O-])c1O ZINC000832995765 600706855 /nfs/dbraw/zinc/70/68/55/600706855.db2.gz JOZWXJVTJAWBOS-UHFFFAOYSA-N -1 0 346.408 3.765 20 0 EHADRM C/C(=C\CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)C(=O)[O-] ZINC000825792873 600726493 /nfs/dbraw/zinc/72/64/93/600726493.db2.gz KDZRTSLRRWJMJZ-ZRDIBKRKSA-N -1 0 345.468 3.903 20 0 EHADRM CCO[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(C(=O)[O-])c2)C12CCCC2 ZINC000737156088 600728284 /nfs/dbraw/zinc/72/82/84/600728284.db2.gz CCVBLZKPYMWUGP-CVEARBPZSA-N -1 0 346.427 3.586 20 0 EHADRM CC(C)C[C@H]1CCCCCN1C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000736427541 600728298 /nfs/dbraw/zinc/72/82/98/600728298.db2.gz UTITXEUGALVTSS-CYBMUJFWSA-N -1 0 339.461 3.593 20 0 EHADRM C[C@H](OC(=O)c1ccc(NC(=O)[O-])c(O)c1)c1ccc(F)cc1F ZINC000827860719 600728602 /nfs/dbraw/zinc/72/86/02/600728602.db2.gz GKCGUEVEOJWHKG-QMMMGPOBSA-N -1 0 337.278 3.678 20 0 EHADRM CC(C)C[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC000736400997 600730252 /nfs/dbraw/zinc/73/02/52/600730252.db2.gz AFJZZQURYUNEGO-RTBURBONSA-N -1 0 339.435 3.628 20 0 EHADRM O=C([O-])[C@H](NCc1ccc(Br)s1)c1ccccc1F ZINC000426805880 600736310 /nfs/dbraw/zinc/73/63/10/600736310.db2.gz GRDLHVLBRFUALJ-GFCCVEGCSA-N -1 0 344.205 3.565 20 0 EHADRM C[C@H](CCOc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000827423011 600740559 /nfs/dbraw/zinc/74/05/59/600740559.db2.gz VDPDPNZPORAVFS-CXAGYDPISA-N -1 0 346.354 3.600 20 0 EHADRM CC(C)C[C@H]1CCCCCN1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000736423694 600741709 /nfs/dbraw/zinc/74/17/09/600741709.db2.gz BFYJRJQKOIHWQB-MRXNPFEDSA-N -1 0 348.443 3.973 20 0 EHADRM CCC[C@@H]1[C@H](C)CCCN1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000829245547 600752397 /nfs/dbraw/zinc/75/23/97/600752397.db2.gz JYCZCVYXXFBGKJ-RHSMWYFYSA-N -1 0 347.459 3.929 20 0 EHADRM O=C([O-])CCCCCNC(=O)NC1CC(c2cccc(Cl)c2)C1 ZINC000414642668 600777144 /nfs/dbraw/zinc/77/71/44/600777144.db2.gz MKCAZHJGYCWUII-UHFFFAOYSA-N -1 0 338.835 3.530 20 0 EHADRM Cc1cccc2sc(C(=O)NC(C)(C)CC(=O)[O-])c(Cl)c21 ZINC000738749154 600780547 /nfs/dbraw/zinc/78/05/47/600780547.db2.gz FHBKQYONFUTRHX-UHFFFAOYSA-N -1 0 325.817 3.846 20 0 EHADRM CN(C(=O)[C@@H]1C[C@@]12CCCc1ccccc12)[C@@H](C(=O)[O-])c1ccccc1 ZINC000776620297 600787469 /nfs/dbraw/zinc/78/74/69/600787469.db2.gz KEIAMBGYHYKWPE-NNMXDRDESA-N -1 0 349.430 3.565 20 0 EHADRM C[C@H]1CCC[C@@H](C(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)C1 ZINC000237511231 600796636 /nfs/dbraw/zinc/79/66/36/600796636.db2.gz ISYRHXHFGKXVPS-QWHCGFSZSA-N -1 0 339.382 3.594 20 0 EHADRM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1)c1ccsc1 ZINC000776674801 600798232 /nfs/dbraw/zinc/79/82/32/600798232.db2.gz VJDMEXOZYIJTPH-YGRLFVJLSA-N -1 0 337.828 3.837 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OC(=O)[C@H](C)CCOc1ccccc1 ZINC000832919251 600801934 /nfs/dbraw/zinc/80/19/34/600801934.db2.gz ZELGCYUTPZPKOC-CQSZACIVSA-N -1 0 328.364 3.704 20 0 EHADRM Cc1cccc([C@@H](C)CNC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000738690434 600802548 /nfs/dbraw/zinc/80/25/48/600802548.db2.gz JRDIFQMUSHIITI-AWEZNQCLSA-N -1 0 338.407 3.522 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OCCOCCOc1ccccc1 ZINC000833298723 600803488 /nfs/dbraw/zinc/80/34/88/600803488.db2.gz CMMOJWGQRRKLCG-UHFFFAOYSA-N -1 0 336.771 3.513 20 0 EHADRM Cc1ccc(OCc2ccn(-c3ccc(F)cc3)n2)c(C(=O)[O-])c1 ZINC000832952082 600804520 /nfs/dbraw/zinc/80/45/20/600804520.db2.gz SEQCVZHGHCCAMN-UHFFFAOYSA-N -1 0 326.327 3.597 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N3CCC[C@H]4CCC[C@H]43)c12 ZINC000833001380 600820563 /nfs/dbraw/zinc/82/05/63/600820563.db2.gz CXAZIETWHKUSRF-VXGBXAGGSA-N -1 0 331.441 3.775 20 0 EHADRM Cc1cccc2c(CCC(=O)Nc3ccsc3C(=O)[O-])c[nH]c21 ZINC000738748467 600825748 /nfs/dbraw/zinc/82/57/48/600825748.db2.gz ZYVLNRKCELIUIP-UHFFFAOYSA-N -1 0 328.393 3.807 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000740235842 600828709 /nfs/dbraw/zinc/82/87/09/600828709.db2.gz RLSWAEUOKBSDCA-IRXDYDNUSA-N -1 0 327.424 3.880 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CN1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000566363130 600833198 /nfs/dbraw/zinc/83/31/98/600833198.db2.gz GBLYGSCMMYGPTP-SCLBCKFNSA-N -1 0 329.396 3.557 20 0 EHADRM Cc1oc(CN2C[C@H](c3ccccc3C)OC[C@H]2C)cc1C(=O)[O-] ZINC000652423303 600834170 /nfs/dbraw/zinc/83/41/70/600834170.db2.gz RUKDSDGTWQYUMX-FZKQIMNGSA-N -1 0 329.396 3.557 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)c(F)c1 ZINC000479520936 600840076 /nfs/dbraw/zinc/84/00/76/600840076.db2.gz ZYWGCBBVFRFDTM-MNOVXSKESA-N -1 0 335.281 3.544 20 0 EHADRM CCc1ccc(CC(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)cc1 ZINC000737260239 600842526 /nfs/dbraw/zinc/84/25/26/600842526.db2.gz GTWHGYHLNAQMHA-UHFFFAOYSA-N -1 0 349.333 3.730 20 0 EHADRM CCc1ccc(CC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cc1 ZINC000737260479 600843532 /nfs/dbraw/zinc/84/35/32/600843532.db2.gz OPJNJUHPVIMTCV-UHFFFAOYSA-N -1 0 326.396 3.540 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)CCc2cccc(F)c2F)c2ccccc21 ZINC000739643585 600846787 /nfs/dbraw/zinc/84/67/87/600846787.db2.gz VUVCXHLFEVKFKE-ZDUSSCGKSA-N -1 0 345.345 3.503 20 0 EHADRM C/C(=C\C(=O)NCCCCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000767082842 600848658 /nfs/dbraw/zinc/84/86/58/600848658.db2.gz ZILKLGWNYHRTNE-ZRDIBKRKSA-N -1 0 343.345 3.870 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@H](C)CCc1ccccc1F ZINC000831912538 600849483 /nfs/dbraw/zinc/84/94/83/600849483.db2.gz AYLWPFGQIPDYQM-GFCCVEGCSA-N -1 0 346.354 3.707 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000237504231 600851069 /nfs/dbraw/zinc/85/10/69/600851069.db2.gz UBTJLHQAGHGZDG-RDTXWAMCSA-N -1 0 343.398 3.727 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000738842083 600852104 /nfs/dbraw/zinc/85/21/04/600852104.db2.gz ZXAUKFKVYVEVLZ-LBPRGKRZSA-N -1 0 344.436 3.794 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000237525327 600853768 /nfs/dbraw/zinc/85/37/68/600853768.db2.gz PKFJIOXRDUOVML-IUODEOHRSA-N -1 0 349.427 3.788 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)C2(c3ccccc3)CCC2)c2ccccc21 ZINC000327230701 600853887 /nfs/dbraw/zinc/85/38/87/600853887.db2.gz XIAYAXBBOKNTHB-OAHLLOKOSA-N -1 0 335.403 3.713 20 0 EHADRM Cc1c(NC(=O)[C@@H]2SCCc3sccc32)cccc1C(=O)[O-] ZINC000675966964 600856502 /nfs/dbraw/zinc/85/65/02/600856502.db2.gz VFPWVDRBPWBZFS-CQSZACIVSA-N -1 0 333.434 3.724 20 0 EHADRM Cc1c(NC(=O)c2ccc(OC3CCC3)cc2)cccc1C(=O)[O-] ZINC000832855524 600857074 /nfs/dbraw/zinc/85/70/74/600857074.db2.gz CKJMEIYKMDBSNR-UHFFFAOYSA-N -1 0 325.364 3.877 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000540669873 600858968 /nfs/dbraw/zinc/85/89/68/600858968.db2.gz RUVICXLCDSCHFQ-OLMNPRSZSA-N -1 0 347.455 3.717 20 0 EHADRM CC(C)C[C@H](NC(=O)CCCNC(=O)[O-])c1ccc(Cl)cc1 ZINC000736414198 600864785 /nfs/dbraw/zinc/86/47/85/600864785.db2.gz XCBPRHGYCIRCGL-AWEZNQCLSA-N -1 0 326.824 3.591 20 0 EHADRM CN(Cc1cccc(Cl)c1Cl)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000390268937 600871551 /nfs/dbraw/zinc/87/15/51/600871551.db2.gz JXXCZIGYBLCIKX-QWRGUYRKSA-N -1 0 344.238 3.843 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)c2)cs1 ZINC000191557993 600872055 /nfs/dbraw/zinc/87/20/55/600872055.db2.gz OSZZYYSBQHCQEY-KBPBESRZSA-N -1 0 344.436 3.948 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2nc(-c3ccccc3)cs2)C1 ZINC000206409559 600872219 /nfs/dbraw/zinc/87/22/19/600872219.db2.gz DHKMQISUNGYSBS-OLZOCXBDSA-N -1 0 330.409 3.640 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(OC3CCC3)cc2)c(C(=O)[O-])c1 ZINC000832948185 600877393 /nfs/dbraw/zinc/87/73/93/600877393.db2.gz UTVLAVOOIYADRN-UHFFFAOYSA-N -1 0 325.364 3.877 20 0 EHADRM C[C@@H](OCc1ccccc1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000261546190 600877805 /nfs/dbraw/zinc/87/78/05/600877805.db2.gz UMGGOMQUSUOQJS-CQSZACIVSA-N -1 0 341.407 3.593 20 0 EHADRM CCO[C@H](C)c1ncc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)s1 ZINC000829907989 600878243 /nfs/dbraw/zinc/87/82/43/600878243.db2.gz OZQJWFMMXFNNHC-LLVKDONJSA-N -1 0 348.424 3.510 20 0 EHADRM C[C@]1(C(=O)Nc2ccc(CCC(=O)[O-])cc2)CCc2ccccc2C1 ZINC000827976148 600878498 /nfs/dbraw/zinc/87/84/98/600878498.db2.gz KUMPEFPIMGGGAW-NRFANRHFSA-N -1 0 337.419 3.838 20 0 EHADRM C[C@H](Oc1cccc(F)c1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000262127962 600878608 /nfs/dbraw/zinc/87/86/08/600878608.db2.gz CRNURSQXZOWZPG-LBPRGKRZSA-N -1 0 345.370 3.594 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)c1cccc(F)c1Cl)c1ccccc1 ZINC000139241132 600878835 /nfs/dbraw/zinc/87/88/35/600878835.db2.gz XRCFYLBCCCSNHQ-AWEZNQCLSA-N -1 0 335.762 3.815 20 0 EHADRM C[C@H](C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1ccccc1F ZINC000486280882 600880254 /nfs/dbraw/zinc/88/02/54/600880254.db2.gz GKLXJPIHEUYATR-LBPRGKRZSA-N -1 0 329.371 3.930 20 0 EHADRM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC000262297528 600880716 /nfs/dbraw/zinc/88/07/16/600880716.db2.gz WYVFHJWNKNZFJC-AWEZNQCLSA-N -1 0 341.407 3.763 20 0 EHADRM CCCOc1ccc(CCC(=O)N(CC(=O)[O-])c2ccccc2)cc1 ZINC000337701464 600888665 /nfs/dbraw/zinc/88/86/65/600888665.db2.gz CFYCSSQWFDOMDQ-UHFFFAOYSA-N -1 0 341.407 3.526 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)c2cccc(F)c2Cl)c2ccccc21 ZINC000322625165 600892696 /nfs/dbraw/zinc/89/26/96/600892696.db2.gz TTXADZQFYVUDDI-SNVBAGLBSA-N -1 0 333.746 3.698 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)Cc2cc(-c3ccccc3)on2)cc1 ZINC000738668583 600893710 /nfs/dbraw/zinc/89/37/10/600893710.db2.gz CLYSDZVXHUQOKX-UHFFFAOYSA-N -1 0 338.319 3.580 20 0 EHADRM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000180114853 600895769 /nfs/dbraw/zinc/89/57/69/600895769.db2.gz DHHMPILEANTAET-VXGBXAGGSA-N -1 0 344.238 3.843 20 0 EHADRM CCOc1ccccc1OCCCC(=O)Nc1ccc(C(=O)[O-])s1 ZINC000830116857 600899623 /nfs/dbraw/zinc/89/96/23/600899623.db2.gz IINHWTIPJGWWSG-UHFFFAOYSA-N -1 0 349.408 3.643 20 0 EHADRM CCOc1ccc(OCCCC(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC000830088639 600899675 /nfs/dbraw/zinc/89/96/75/600899675.db2.gz DXPLZMVGJFDJHC-UHFFFAOYSA-N -1 0 349.408 3.643 20 0 EHADRM Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(C(=O)[O-])s3)cc2)n1 ZINC000832879831 600900168 /nfs/dbraw/zinc/90/01/68/600900168.db2.gz VVNWYMAEWUQNLJ-UHFFFAOYSA-N -1 0 341.392 3.501 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1cccc(Nc2ccccc2)c1)C(=O)[O-] ZINC000736410292 600919606 /nfs/dbraw/zinc/91/96/06/600919606.db2.gz XYBZMBMPOGBYBQ-MRXNPFEDSA-N -1 0 340.423 3.907 20 0 EHADRM Cc1nc(-c2ccccc2)ccc1C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000191026460 600919958 /nfs/dbraw/zinc/91/99/58/600919958.db2.gz WMXBPNVJAQWYHT-MRXNPFEDSA-N -1 0 340.423 3.534 20 0 EHADRM CCC(CC)(NC(=O)c1cc(C)n(Cc2ccccc2)c1C)C(=O)[O-] ZINC000808518897 600927744 /nfs/dbraw/zinc/92/77/44/600927744.db2.gz JVEKHIXEWWBNRI-UHFFFAOYSA-N -1 0 342.439 3.526 20 0 EHADRM CC(C)C[C@@H](CNC(=O)[C@H](C)Sc1ccccc1Cl)C(=O)[O-] ZINC000486286729 600927983 /nfs/dbraw/zinc/92/79/83/600927983.db2.gz VXORGRYUFKDNOK-RYUDHWBXSA-N -1 0 343.876 3.684 20 0 EHADRM CCC(CC)(NC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000342524487 600928324 /nfs/dbraw/zinc/92/83/24/600928324.db2.gz LAIOOZDVRDITCG-LLVKDONJSA-N -1 0 345.361 3.644 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N(Cc2ccco2)c2ccccc2)C1 ZINC000833183961 600929666 /nfs/dbraw/zinc/92/96/66/600929666.db2.gz BGSAHTWSTAJPRN-CABCVRRESA-N -1 0 327.380 3.704 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC000827427729 600938825 /nfs/dbraw/zinc/93/88/25/600938825.db2.gz MABCGYQELQNWBL-ZDUSSCGKSA-N -1 0 330.355 3.627 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OC(=O)[C@@H](C)CC(=O)c1cccc(F)c1 ZINC000832918620 600940771 /nfs/dbraw/zinc/94/07/71/600940771.db2.gz KRBJQLYIPCCURH-LBPRGKRZSA-N -1 0 344.338 3.647 20 0 EHADRM CCO[C@H](C)c1ncc(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)s1 ZINC000829908106 600943927 /nfs/dbraw/zinc/94/39/27/600943927.db2.gz SBSGIHLFBORADH-WDEREUQCSA-N -1 0 349.408 3.857 20 0 EHADRM CC(C)C[C@H](OC(=O)C[C@H](c1ccccc1)C(F)(F)F)C(=O)[O-] ZINC000826813253 600949967 /nfs/dbraw/zinc/94/99/67/600949967.db2.gz NEUDATYSZLDOLR-OLZOCXBDSA-N -1 0 332.318 3.765 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N(Cc2ccccc2)CC(F)F)c1 ZINC000833290911 600952930 /nfs/dbraw/zinc/95/29/30/600952930.db2.gz VHLUSISMIXPPSL-UHFFFAOYSA-N -1 0 334.322 3.684 20 0 EHADRM CC(C)C[C@H](OC(=O)c1cccc(Oc2nccs2)c1)C(=O)[O-] ZINC000826820690 600957099 /nfs/dbraw/zinc/95/70/99/600957099.db2.gz SORNUDPJCSCXOH-ZDUSSCGKSA-N -1 0 335.381 3.592 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000180012817 600959399 /nfs/dbraw/zinc/95/93/99/600959399.db2.gz UMXZYZNIJJQANE-NWDGAFQWSA-N -1 0 339.819 3.957 20 0 EHADRM O=C([O-])C[C@H]1CN(CCOc2ccc(Cl)cc2)c2ccccc21 ZINC000321386164 600961505 /nfs/dbraw/zinc/96/15/05/600961505.db2.gz BXVHVUDAWCDNRL-ZDUSSCGKSA-N -1 0 331.799 3.797 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccc(C(=O)[O-])s2)o1 ZINC000237704550 600962162 /nfs/dbraw/zinc/96/21/62/600962162.db2.gz UDEJXOZTJITCPW-JQWIXIFHSA-N -1 0 333.409 3.961 20 0 EHADRM Cc1cc(C)cc(OCCN2C[C@@H](CC(=O)[O-])c3ccccc32)c1 ZINC000325300318 600963733 /nfs/dbraw/zinc/96/37/33/600963733.db2.gz VNAZNRBQDKTJDZ-MRXNPFEDSA-N -1 0 325.408 3.761 20 0 EHADRM C[C@H](C(=O)Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1)C(F)(F)F ZINC000826026955 600963823 /nfs/dbraw/zinc/96/38/23/600963823.db2.gz RYUXDGZGXRBWQL-SSDOTTSWSA-N -1 0 344.314 3.645 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NCC2(c3cccs3)CCCCC2)C1 ZINC000498646142 600964839 /nfs/dbraw/zinc/96/48/39/600964839.db2.gz LVPUWUXDQCVQTN-HUUCEWRRSA-N -1 0 349.496 3.957 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000776595839 600968282 /nfs/dbraw/zinc/96/82/82/600968282.db2.gz SJIPMYITQWULCS-XMSQKQJNSA-N -1 0 347.414 3.568 20 0 EHADRM CCC[C@H](CCc1ccccc1)NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000498648432 600968503 /nfs/dbraw/zinc/96/85/03/600968503.db2.gz GXOPSIVYIFMLAC-RCCFBDPRSA-N -1 0 331.456 3.795 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1C ZINC000245684012 600968514 /nfs/dbraw/zinc/96/85/14/600968514.db2.gz JGGZUJWABGXMIZ-NUJGCVRESA-N -1 0 329.440 3.858 20 0 EHADRM CCOc1ccccc1OCCSCc1cc(C(=O)[O-])c(C)o1 ZINC000830117036 600968651 /nfs/dbraw/zinc/96/86/51/600968651.db2.gz NBBMBBOOMHWWGE-UHFFFAOYSA-N -1 0 336.409 3.997 20 0 EHADRM O=C([O-])Nc1cccc(NC(=S)N[C@@H]2CCc3ccccc3C2)c1 ZINC000833289279 600971359 /nfs/dbraw/zinc/97/13/59/600971359.db2.gz JVPGVSWDRKCKGX-MRXNPFEDSA-N -1 0 341.436 3.620 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000827427515 600972564 /nfs/dbraw/zinc/97/25/64/600972564.db2.gz IATTXRJXVLUWGQ-NSHDSACASA-N -1 0 333.334 3.870 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)c1ccc(OC2CCC2)cc1 ZINC000833158477 600972985 /nfs/dbraw/zinc/97/29/85/600972985.db2.gz JLJLYQPUWSHCJZ-UHFFFAOYSA-N -1 0 329.327 3.708 20 0 EHADRM Cc1cccc(C)c1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000237622231 600973330 /nfs/dbraw/zinc/97/33/30/600973330.db2.gz GOYDXFGWVMEPDK-UHFFFAOYSA-N -1 0 327.380 3.799 20 0 EHADRM Cc1cc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c2cccnc2c1C ZINC000832892652 600976503 /nfs/dbraw/zinc/97/65/03/600976503.db2.gz DYYGTIGTELJMPU-KBPBESRZSA-N -1 0 326.396 3.681 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000498644149 600979905 /nfs/dbraw/zinc/97/99/05/600979905.db2.gz RAMVULSIEGCWNN-LSDHHAIUSA-N -1 0 333.428 3.941 20 0 EHADRM CSCC[C@@H](C)N(C)c1nc(C)nc2sc(C(=O)[O-])c(C)c21 ZINC000592974983 600986033 /nfs/dbraw/zinc/98/60/33/600986033.db2.gz JBOMRJKODHFNGA-MRVPVSSYSA-N -1 0 339.486 3.584 20 0 EHADRM COC(=O)c1coc(-c2csc(-c3cccc(C(=O)[O-])c3)n2)c1 ZINC000729673989 600993496 /nfs/dbraw/zinc/99/34/96/600993496.db2.gz GZCOFVWBGMWBHZ-UHFFFAOYSA-N -1 0 329.333 3.555 20 0 EHADRM C[C@H](C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2)c1cccnc1 ZINC000826025868 600995259 /nfs/dbraw/zinc/99/52/59/600995259.db2.gz HLNIGSAIDKMBDM-NSHDSACASA-N -1 0 344.436 3.852 20 0 EHADRM O=C([O-])[C@H](CNC(=O)Nc1cccc2c1CCCC2)c1ccccc1 ZINC000327624369 600995440 /nfs/dbraw/zinc/99/54/40/600995440.db2.gz OYKNEKABNPMSSH-QGZVFWFLSA-N -1 0 338.407 3.555 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)Nc3sccc3C(=O)[O-])c2c1 ZINC000832958603 600995829 /nfs/dbraw/zinc/99/58/29/600995829.db2.gz BQDCQGCODHFQLT-UHFFFAOYSA-N -1 0 328.393 3.807 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1ccccc1N1CCCCC1)C(=O)[O-] ZINC000424472620 600996188 /nfs/dbraw/zinc/99/61/88/600996188.db2.gz PAICEXCWIBJXLN-HNNXBMFYSA-N -1 0 347.459 3.545 20 0 EHADRM O=C([O-])c1ccc(OC(=O)c2cnc3ccsc3c2)c(Cl)c1 ZINC000740162245 600996413 /nfs/dbraw/zinc/99/64/13/600996413.db2.gz XJMLXGVHJXCMQL-UHFFFAOYSA-N -1 0 333.752 3.867 20 0 EHADRM Cc1cnc([C@@H](NC(=O)Nc2cc(C(=O)[O-])ccc2C)C2CC2)s1 ZINC000832985511 600997621 /nfs/dbraw/zinc/99/76/21/600997621.db2.gz GFPSIJHYCGFXNF-AWEZNQCLSA-N -1 0 345.424 3.731 20 0 EHADRM Cn1c(C(=O)Nc2ccc(CC(=O)[O-])cc2)ccc1-c1ccccc1 ZINC000739012371 601001037 /nfs/dbraw/zinc/00/10/37/601001037.db2.gz AKGZZMJMNWXROP-UHFFFAOYSA-N -1 0 334.375 3.572 20 0 EHADRM C[C@@H](C(=O)N1CCCC[C@@H]1CC(=O)[O-])c1ccccc1C(F)(F)F ZINC000653320831 601004780 /nfs/dbraw/zinc/00/47/80/601004780.db2.gz XBALEFGVMUKOOY-VXGBXAGGSA-N -1 0 343.345 3.665 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)c1ccccc1Sc1ccccc1 ZINC000236822440 601004893 /nfs/dbraw/zinc/00/48/93/601004893.db2.gz NRWXWHNAIAWMGH-UHFFFAOYSA-N -1 0 329.421 3.775 20 0 EHADRM C[C@H](CNC(=O)Nc1cccc(C(=O)[O-])c1)Oc1cccc(Cl)c1 ZINC000827492834 601007432 /nfs/dbraw/zinc/00/74/32/601007432.db2.gz GHCHRQUPXQWOJN-LLVKDONJSA-N -1 0 348.786 3.627 20 0 EHADRM COc1ccc([C@@H](C)CCNC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000832221241 601007825 /nfs/dbraw/zinc/00/78/25/601007825.db2.gz WVDJXMAUUZRLOP-ZDUSSCGKSA-N -1 0 342.395 3.709 20 0 EHADRM CC[C@H](Cc1ccccc1)N(C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000828901563 601008783 /nfs/dbraw/zinc/00/87/83/601008783.db2.gz WXNJHDTVEDTVJN-QGZVFWFLSA-N -1 0 326.396 3.870 20 0 EHADRM C[C@@H]1Cc2ccccc2CN1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000828516012 601011805 /nfs/dbraw/zinc/01/18/05/601011805.db2.gz HOIZBJBPMBDKDD-LLVKDONJSA-N -1 0 328.343 3.503 20 0 EHADRM C[C@H](CCc1cccn1C)NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000827427574 601013423 /nfs/dbraw/zinc/01/34/23/601013423.db2.gz KZTDYMLGTSMFHF-LLVKDONJSA-N -1 0 349.818 3.520 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N[C@@H]2C[C@H]2Cc2ccccc2)cc1 ZINC000833291119 601021554 /nfs/dbraw/zinc/02/15/54/601021554.db2.gz YKRVLECEPSQPHB-CZUORRHYSA-N -1 0 325.368 3.529 20 0 EHADRM Cc1cccc(O[C@@H](C)CNC(=O)Nc2cccc(NC(=O)[O-])c2)c1 ZINC000832973327 601022529 /nfs/dbraw/zinc/02/25/29/601022529.db2.gz VXBQILWULKKCIO-ZDUSSCGKSA-N -1 0 343.383 3.674 20 0 EHADRM Cc1ccc(SCCC(=O)Oc2ccccc2CC(=O)[O-])cc1 ZINC000738667658 601023630 /nfs/dbraw/zinc/02/36/30/601023630.db2.gz GJYBMLAWCLYVRU-UHFFFAOYSA-N -1 0 330.405 3.710 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)c2cnc3ccsc3c2)c2ccccc21 ZINC000739646653 601025452 /nfs/dbraw/zinc/02/54/52/601025452.db2.gz OTXNWFRRQGCYFJ-GFCCVEGCSA-N -1 0 338.388 3.515 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NCC(C1CC1)C1CC1 ZINC000827049561 601033923 /nfs/dbraw/zinc/03/39/23/601033923.db2.gz XHWVGRKEBBPYNY-UHFFFAOYSA-N -1 0 346.427 3.730 20 0 EHADRM C[C@H]1CCC[C@H](C)N(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC000828240445 601033931 /nfs/dbraw/zinc/03/39/31/601033931.db2.gz WAUVSIIXIRBPFP-KBPBESRZSA-N -1 0 334.416 3.583 20 0 EHADRM CC[C@@H](CC(=O)N(c1ncc(C(=O)[O-])s1)C1CC1)c1ccccc1 ZINC000736892256 601035975 /nfs/dbraw/zinc/03/59/75/601035975.db2.gz MJGDXAJMJLHMHE-LBPRGKRZSA-N -1 0 344.436 3.921 20 0 EHADRM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000828121151 601036940 /nfs/dbraw/zinc/03/69/40/601036940.db2.gz FELCEPQCTUMPGD-MAUKXSAKSA-N -1 0 343.358 3.767 20 0 EHADRM Cc1cc(NC(=O)NC[C@@H](C)Cc2cccs2)ccc1C(=O)[O-] ZINC000832894351 601038718 /nfs/dbraw/zinc/03/87/18/601038718.db2.gz CBJBELAVWYYCHF-NSHDSACASA-N -1 0 332.425 3.755 20 0 EHADRM Cc1ccc(CC[C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)o1 ZINC000832930959 601041044 /nfs/dbraw/zinc/04/10/44/601041044.db2.gz WKXPBNSYFRXPHV-GFCCVEGCSA-N -1 0 330.384 3.737 20 0 EHADRM C[C@@H](C1CC1)N(C(=O)Nc1cccc(CSCC(=O)[O-])c1)C1CC1 ZINC000827213806 601041546 /nfs/dbraw/zinc/04/15/46/601041546.db2.gz SBDLXBXKFHYNMN-LBPRGKRZSA-N -1 0 348.468 3.799 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)NCC(C2CC2)C2CC2)c1 ZINC000833263149 601042277 /nfs/dbraw/zinc/04/22/77/601042277.db2.gz JFCZDWUKPFNIJI-UHFFFAOYSA-N -1 0 348.468 3.562 20 0 EHADRM CCc1[nH]c(C(=O)N[C@@H](C)Cc2cc(C)cc(C)c2)c(C)c1C(=O)[O-] ZINC000737241988 601043993 /nfs/dbraw/zinc/04/39/93/601043993.db2.gz QVXKGEFTVCXHQZ-ZDUSSCGKSA-N -1 0 342.439 3.562 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000538466365 601044812 /nfs/dbraw/zinc/04/48/12/601044812.db2.gz IINNMJMAUWTTFD-GOSISDBHSA-N -1 0 325.408 3.787 20 0 EHADRM CCSCC[C@@H](C)N(C)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000830164004 601046544 /nfs/dbraw/zinc/04/65/44/601046544.db2.gz MADCVZDQHZDLPB-CYBMUJFWSA-N -1 0 338.473 3.699 20 0 EHADRM Cc1noc(C)c1N(C)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000833021188 601047426 /nfs/dbraw/zinc/04/74/26/601047426.db2.gz IQLMBWNBAMHUGT-UHFFFAOYSA-N -1 0 343.408 3.750 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@@H]2C[C@H]2Cc2ccccc2)cc1Cl ZINC000833153939 601055892 /nfs/dbraw/zinc/05/58/92/601055892.db2.gz SCJXHAHAKUPABS-MLGOLLRUSA-N -1 0 344.798 3.791 20 0 EHADRM C[C@H](C(=O)N1CCCC[C@H]1CC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000679394920 601057171 /nfs/dbraw/zinc/05/71/71/601057171.db2.gz SDVKPHBXLGIJNE-JQWIXIFHSA-N -1 0 344.238 3.953 20 0 EHADRM Cc1c2ccccc2oc1C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000832854033 601057200 /nfs/dbraw/zinc/05/72/00/601057200.db2.gz RNMVEXNUFWDYMX-MRXNPFEDSA-N -1 0 328.295 3.863 20 0 EHADRM Cc1ccc(NC(=O)c2nc(Cl)ccc2Cl)cc1C(=O)[O-] ZINC000235877750 601062529 /nfs/dbraw/zinc/06/25/29/601062529.db2.gz KVWMNDSKBXNUAY-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM COc1ccc(S[C@H](C)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000486270484 601064656 /nfs/dbraw/zinc/06/46/56/601064656.db2.gz MOIBNQVATKGHDC-GFCCVEGCSA-N -1 0 345.420 3.821 20 0 EHADRM O=C([O-])[C@@H](OC(=O)/C=C/c1ccccc1Cl)c1ccccc1F ZINC000833095763 601065201 /nfs/dbraw/zinc/06/52/01/601065201.db2.gz WZTZWJDVVSXEHO-SCOAYWHSSA-N -1 0 334.730 3.861 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000486273015 601069989 /nfs/dbraw/zinc/06/99/89/601069989.db2.gz AHTYLDLGZAKYOB-MRXNPFEDSA-N -1 0 337.375 3.648 20 0 EHADRM Cc1occc1C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000833030390 601075901 /nfs/dbraw/zinc/07/59/01/601075901.db2.gz WOMSAWJOPHPHNM-GFCCVEGCSA-N -1 0 329.135 3.878 20 0 EHADRM CCOc1cccc(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)c1 ZINC000830100240 601078345 /nfs/dbraw/zinc/07/83/45/601078345.db2.gz ZGJSJRPVOLPPJF-UHFFFAOYSA-N -1 0 348.424 3.790 20 0 EHADRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)CCc1ccc(F)cc1 ZINC000833177471 601081764 /nfs/dbraw/zinc/08/17/64/601081764.db2.gz OUZASXCVSGADSW-FUHWJXTLSA-N -1 0 347.430 3.640 20 0 EHADRM C[C@@H](C(=O)Nc1cc(C(=O)[O-])ccn1)c1ccc(Cl)c(Cl)c1 ZINC000826009090 601083578 /nfs/dbraw/zinc/08/35/78/601083578.db2.gz RNDSOUALOKYQQO-MRVPVSSYSA-N -1 0 339.178 3.829 20 0 EHADRM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000262795088 601085298 /nfs/dbraw/zinc/08/52/98/601085298.db2.gz LOEKDDVAKTWBRG-ZWNOBZJWSA-N -1 0 333.384 3.809 20 0 EHADRM CCc1[nH]c(C(=O)N2CC[C@@H]2c2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC000737242111 601086239 /nfs/dbraw/zinc/08/62/39/601086239.db2.gz PTSIWPYGWKGZAW-CQSZACIVSA-N -1 0 346.814 3.824 20 0 EHADRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)CCc1ccsc1 ZINC000621581740 601086963 /nfs/dbraw/zinc/08/69/63/601086963.db2.gz ZFMRNQMGZLCWEB-JKSUJKDBSA-N -1 0 335.469 3.563 20 0 EHADRM Cc1ccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cc1C ZINC000832912643 601091488 /nfs/dbraw/zinc/09/14/88/601091488.db2.gz WDQQJROFNATMAG-ZWKOTPCHSA-N -1 0 329.440 3.799 20 0 EHADRM CCOc1ccc(C(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cc1 ZINC000830059581 601093061 /nfs/dbraw/zinc/09/30/61/601093061.db2.gz GWZHVXGWQMNJJY-SJLPKXTDSA-N -1 0 345.439 3.581 20 0 EHADRM C[C@H](C1CC1)N(C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)C1CC1 ZINC000827213782 601093359 /nfs/dbraw/zinc/09/33/59/601093359.db2.gz RFYWASNCXVBLOL-GFCCVEGCSA-N -1 0 330.428 3.844 20 0 EHADRM C/C(=C/CSc1nc(C(F)(F)F)nc2ccccc21)C(=O)[O-] ZINC000736122497 601098329 /nfs/dbraw/zinc/09/83/29/601098329.db2.gz WEFFINQIQAARRZ-VURMDHGXSA-N -1 0 328.315 3.772 20 0 EHADRM Cc1ccc(NC(=O)C[C@@H](C)C(=O)c2ccccc2)cc1C(=O)[O-] ZINC000832942485 601110290 /nfs/dbraw/zinc/11/02/90/601110290.db2.gz COJIRAQJHAJNMP-CYBMUJFWSA-N -1 0 325.364 3.541 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCC2CCC(C(F)(F)F)CC2)s1 ZINC000833311423 601111095 /nfs/dbraw/zinc/11/10/95/601111095.db2.gz NBDUKAMKNSAATA-UHFFFAOYSA-N -1 0 335.347 3.545 20 0 EHADRM C/C(=C\C(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1)C1CC1 ZINC000825724327 601114873 /nfs/dbraw/zinc/11/48/73/601114873.db2.gz MHVHYFSWSBNWOP-YRNVUSSQSA-N -1 0 343.404 3.908 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)O[C@@H](C)C(=O)c1ccc(C(C)C)cc1 ZINC000826806073 601120745 /nfs/dbraw/zinc/12/07/45/601120745.db2.gz CXEHWNOOWWEIDK-BBRMVZONSA-N -1 0 349.427 3.607 20 0 EHADRM Cc1cc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)ccc1Br ZINC000108654659 601125404 /nfs/dbraw/zinc/12/54/04/601125404.db2.gz WRUZQAPOJGPZLS-QWRGUYRKSA-N -1 0 340.217 3.587 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)ccc1Br ZINC000108654661 601125420 /nfs/dbraw/zinc/12/54/20/601125420.db2.gz WRUZQAPOJGPZLS-GHMZBOCLSA-N -1 0 340.217 3.587 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H](C)c1c(Cl)cccc1Cl ZINC000828617414 601133972 /nfs/dbraw/zinc/13/39/72/601133972.db2.gz DACGGFFSLRLTEJ-BJOHPYRUSA-N -1 0 332.227 3.857 20 0 EHADRM COc1ccc(F)cc1[C@@H](C)NC(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000832378414 601138955 /nfs/dbraw/zinc/13/89/55/601138955.db2.gz MPEPHYYKZGACPY-LLVKDONJSA-N -1 0 346.358 3.724 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc(Cl)cc1Cl)c1cccc(F)c1 ZINC000833245850 601141619 /nfs/dbraw/zinc/14/16/19/601141619.db2.gz VEOQAWDXYUYHTA-UHFFFAOYSA-N -1 0 342.153 3.864 20 0 EHADRM Cc1ccc(OC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c(Br)c1 ZINC000832953474 601147540 /nfs/dbraw/zinc/14/75/40/601147540.db2.gz SZRYMZFIDCHTBJ-WDEREUQCSA-N -1 0 341.201 3.554 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Oc2ccccc2Oc2ccccn2)C1 ZINC000833187931 601152457 /nfs/dbraw/zinc/15/24/57/601152457.db2.gz SYHRLUFRHVZGMR-ZIAGYGMSSA-N -1 0 341.363 3.670 20 0 EHADRM COc1ccc(OC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c2ccccc12 ZINC000832424355 601160041 /nfs/dbraw/zinc/16/00/41/601160041.db2.gz AUTPEMWHXKRWBU-CHWSQXEVSA-N -1 0 328.364 3.645 20 0 EHADRM C[C@H](c1ccccc1)[C@H](C)NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000827664016 601176239 /nfs/dbraw/zinc/17/62/39/601176239.db2.gz BNRHKUYWXCQRJP-QWRGUYRKSA-N -1 0 348.349 3.977 20 0 EHADRM CC(C)[C@@H](OC(=O)c1ccc(Oc2ccccc2Cl)nc1)C(=O)[O-] ZINC000826723160 601189493 /nfs/dbraw/zinc/18/94/93/601189493.db2.gz PUMJVPQDQFNBMF-OAHLLOKOSA-N -1 0 349.770 3.793 20 0 EHADRM CCS[C@@H]1CCC[C@H](NC(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000830158679 601189875 /nfs/dbraw/zinc/18/98/75/601189875.db2.gz ZFSPXMDYUYIXAG-UONOGXRCSA-N -1 0 336.457 3.879 20 0 EHADRM CCS[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000830156945 601191780 /nfs/dbraw/zinc/19/17/80/601191780.db2.gz BDJYOGGKXDUGPB-UONOGXRCSA-N -1 0 337.445 3.597 20 0 EHADRM Cc1cc(COC(=O)c2cccc(C(F)(F)F)c2F)oc1C(=O)[O-] ZINC000832884363 601195107 /nfs/dbraw/zinc/19/51/07/601195107.db2.gz AUBNYAHHTHHNKC-UHFFFAOYSA-N -1 0 346.232 3.801 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C/C=C\c1ccc(F)cc1)c1cccs1 ZINC000675950704 601195708 /nfs/dbraw/zinc/19/57/08/601195708.db2.gz YDYNHXUEGRPZGR-NPPUXFBVSA-N -1 0 333.384 3.623 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CCSC2(CCCCC2)C1 ZINC000832914651 601196521 /nfs/dbraw/zinc/19/65/21/601196521.db2.gz ANTHFCKYWBRRAP-UHFFFAOYSA-N -1 0 348.468 3.977 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)N2CCSC3(CCCCC3)C2)cc1 ZINC000833265444 601198401 /nfs/dbraw/zinc/19/84/01/601198401.db2.gz BAAVYDFFPQSTFN-UHFFFAOYSA-N -1 0 348.468 3.597 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NCc1ncc(-c2ccccc2)o1)c1ccccc1 ZINC000826053043 601204788 /nfs/dbraw/zinc/20/47/88/601204788.db2.gz ICDWWYIWHFQJKZ-AUUYWEPGSA-N -1 0 336.391 3.893 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)c1cccc(C(=O)[O-])n1)C(C)(C)C ZINC000832981892 601209053 /nfs/dbraw/zinc/20/90/53/601209053.db2.gz NTGLIIQTYVHTSY-INIZCTEOSA-N -1 0 326.396 3.605 20 0 EHADRM COCCCOc1cccc(N[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000831705559 601229448 /nfs/dbraw/zinc/22/94/48/601229448.db2.gz RWEDUNIPSIMYBH-KRWDZBQOSA-N -1 0 349.814 3.993 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)OCc2nc(-c3ccccc3)cs2)C1 ZINC000833186371 601237955 /nfs/dbraw/zinc/23/79/55/601237955.db2.gz DGKKJFIIQAKIOH-KGLIPLIRSA-N -1 0 345.420 3.744 20 0 EHADRM O=C([O-])c1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)ccn1 ZINC000238182513 601243441 /nfs/dbraw/zinc/24/34/41/601243441.db2.gz LDAIFSJQIMYRAA-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM CCc1ccc([C@H]2CCCCCN2C(=O)c2ccnc(C(=O)[O-])c2)o1 ZINC000236983278 601246660 /nfs/dbraw/zinc/24/66/60/601246660.db2.gz HPAWFQVGQJXTCD-MRXNPFEDSA-N -1 0 342.395 3.693 20 0 EHADRM Cc1ccc(C(=O)N(C)c2ccccc2C(=O)[O-])cc1Br ZINC000129370924 601267953 /nfs/dbraw/zinc/26/79/53/601267953.db2.gz VBPYDTFHIXFHQU-UHFFFAOYSA-N -1 0 348.196 3.732 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2CC23CCCC3)c(OC(F)F)c1 ZINC000621564701 601269500 /nfs/dbraw/zinc/26/95/00/601269500.db2.gz SEVSANFIBIDGIP-SNVBAGLBSA-N -1 0 325.311 3.505 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000236881123 601279169 /nfs/dbraw/zinc/27/91/69/601279169.db2.gz WHQQTXQBBRPQGA-QGZVFWFLSA-N -1 0 341.407 3.509 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)C1CCCC1 ZINC000826012181 601284173 /nfs/dbraw/zinc/28/41/73/601284173.db2.gz FPYXUNLHCFQIAO-SECBINFHSA-N -1 0 327.327 3.751 20 0 EHADRM C[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)C1CCCC1 ZINC000826012182 601284299 /nfs/dbraw/zinc/28/42/99/601284299.db2.gz FPYXUNLHCFQIAO-VIFPVBQESA-N -1 0 327.327 3.751 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)C/C=C/c2cccc(F)c2)c1 ZINC000832178734 601284533 /nfs/dbraw/zinc/28/45/33/601284533.db2.gz LEOIATHAQBDINU-HWKANZROSA-N -1 0 329.327 3.575 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000825793101 601287290 /nfs/dbraw/zinc/28/72/90/601287290.db2.gz MSKHXUGCGYDUFF-VOMSXAGXSA-N -1 0 339.366 3.834 20 0 EHADRM CC(C)=C(C)C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000826642316 601287289 /nfs/dbraw/zinc/28/72/89/601287289.db2.gz WDBSCIRFIAIRGN-GOSISDBHSA-N -1 0 325.408 3.556 20 0 EHADRM C[C@@H](C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F)C1CCCC1 ZINC000825977198 601287713 /nfs/dbraw/zinc/28/77/13/601287713.db2.gz AMCWNQOCWUUGCY-GFCCVEGCSA-N -1 0 339.382 3.594 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 ZINC000826800335 601290252 /nfs/dbraw/zinc/29/02/52/601290252.db2.gz KVLHPQLHCXQACU-CQSZACIVSA-N -1 0 334.416 3.536 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)CCc1c[nH]c2c1cccc2C ZINC000262168226 601308376 /nfs/dbraw/zinc/30/83/76/601308376.db2.gz WAKBGEWJKAMNQZ-UHFFFAOYSA-N -1 0 330.428 3.559 20 0 EHADRM Cc1cc(O[C@@H](C)C(=O)Nc2cc(C(=O)[O-])n(C)c2)ccc1C(C)C ZINC000832899374 601313585 /nfs/dbraw/zinc/31/35/85/601313585.db2.gz NNLFFQVGHSRRKM-ZDUSSCGKSA-N -1 0 344.411 3.561 20 0 EHADRM Cn1cc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1C(=O)[O-] ZINC000833047475 601315166 /nfs/dbraw/zinc/31/51/66/601315166.db2.gz NGPVJUDIEGOMLW-UHFFFAOYSA-N -1 0 334.375 3.572 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)N1CCC(C(=O)[O-])CC1 ZINC000818772722 601315400 /nfs/dbraw/zinc/31/54/00/601315400.db2.gz LWRNGJIABXMFTC-UHFFFAOYSA-N -1 0 348.443 3.639 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000828151742 601333273 /nfs/dbraw/zinc/33/32/73/601333273.db2.gz ZUDPXQXLDSAHKY-WFASDCNBSA-N -1 0 342.370 3.934 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000828201940 601336614 /nfs/dbraw/zinc/33/66/14/601336614.db2.gz XZNUDGCCUBBBIF-FRFSOERESA-N -1 0 330.428 3.889 20 0 EHADRM CCOc1cccc(NC(=S)Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC000830104805 601338702 /nfs/dbraw/zinc/33/87/02/601338702.db2.gz TZLFVIGCRCPLDH-UHFFFAOYSA-N -1 0 330.409 3.901 20 0 EHADRM C[C@@H](OC(=O)c1cccc(NC(=O)[O-])c1)c1ncc(C(C)(C)C)o1 ZINC000827860153 601339766 /nfs/dbraw/zinc/33/97/66/601339766.db2.gz AGWHILGKXZUOMP-SNVBAGLBSA-N -1 0 332.356 3.980 20 0 EHADRM O=C([O-])[C@H](NCc1cnc(-c2ccccc2)s1)c1ccccc1F ZINC000426787538 601347983 /nfs/dbraw/zinc/34/79/83/601347983.db2.gz FPUWWDGIFUBWJG-MRXNPFEDSA-N -1 0 342.395 3.865 20 0 EHADRM C[C@H](Nc1ccc(OCCC(=O)[O-])cc1)c1ncc(C(C)(C)C)o1 ZINC000827773490 601348086 /nfs/dbraw/zinc/34/80/86/601348086.db2.gz OAQBSYKQMNLVBK-LBPRGKRZSA-N -1 0 332.400 3.999 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@@H]1C[C@H]1C1CC1)c1ccc(Cl)cc1Cl ZINC000833169555 601357873 /nfs/dbraw/zinc/35/78/73/601357873.db2.gz JVHNIGVONSZBSE-DMDPSCGWSA-N -1 0 329.179 3.708 20 0 EHADRM O=C([O-])c1cccc(OCc2noc(Cc3cccc(Cl)c3)n2)c1 ZINC000833334066 601365646 /nfs/dbraw/zinc/36/56/46/601365646.db2.gz UWRNMWNVSSCJAH-UHFFFAOYSA-N -1 0 344.754 3.591 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)Nc1cccnc1Cl)C(=O)[O-] ZINC000827921905 601370588 /nfs/dbraw/zinc/37/05/88/601370588.db2.gz KRTLFXQGIWQWKW-VIFPVBQESA-N -1 0 336.800 3.553 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1ccc(C)c(C(=O)NC(C)C)c1 ZINC000830379025 601390988 /nfs/dbraw/zinc/39/09/88/601390988.db2.gz GVWJOIONDRYAOK-UHFFFAOYSA-N -1 0 344.411 3.599 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000769515251 601391792 /nfs/dbraw/zinc/39/17/92/601391792.db2.gz DGFAYZIYQAPWJQ-KBXCAEBGSA-N -1 0 341.407 3.810 20 0 EHADRM COc1ccc([C@H](C)CC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000237234908 601394332 /nfs/dbraw/zinc/39/43/32/601394332.db2.gz YVGKPEIWRHCMCI-CQSZACIVSA-N -1 0 341.407 3.546 20 0 EHADRM C/C(=C/C(=O)N[C@@H](C(=O)[O-])c1cccs1)c1cccc(Cl)c1 ZINC000825716763 601397390 /nfs/dbraw/zinc/39/73/90/601397390.db2.gz OCQDYLYPTOEIDJ-WKTRQSJXSA-N -1 0 335.812 3.747 20 0 EHADRM Cc1nc(Cl)sc1C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000833000556 601402955 /nfs/dbraw/zinc/40/29/55/601402955.db2.gz LLHRWGQUTXNWLT-UHFFFAOYSA-N -1 0 329.740 3.586 20 0 EHADRM C/C(=C\COC(=O)c1ccc(-c2nc3ccccc3s2)o1)C(=O)[O-] ZINC000825774142 601405647 /nfs/dbraw/zinc/40/56/47/601405647.db2.gz CHDAQIXCRDHTIC-CSKARUKUSA-N -1 0 343.360 3.744 20 0 EHADRM Cc1cc(CSc2nnc(Cc3ccccc3F)o2)oc1C(=O)[O-] ZINC000832885695 601407941 /nfs/dbraw/zinc/40/79/41/601407941.db2.gz KYTOTRLOTYANBE-UHFFFAOYSA-N -1 0 348.355 3.691 20 0 EHADRM C/C(=C/COC(=O)c1occc1CSc1ccccc1)C(=O)[O-] ZINC000825785793 601413872 /nfs/dbraw/zinc/41/38/72/601413872.db2.gz CCHNDRPBSFAKIL-GHXNOFRVSA-N -1 0 332.377 3.760 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC(c3cccc(F)c3)CC2)s1 ZINC000833309600 601427801 /nfs/dbraw/zinc/42/78/01/601427801.db2.gz WJZFKUWQTFSRLL-UHFFFAOYSA-N -1 0 333.384 3.605 20 0 EHADRM C[C@H](C(=O)NC1(CC(=O)[O-])CCC1)c1ccc(Cl)c(Cl)c1 ZINC000262554400 601433182 /nfs/dbraw/zinc/43/31/82/601433182.db2.gz XUWPOFDCUAQFKL-VIFPVBQESA-N -1 0 330.211 3.611 20 0 EHADRM CCO[C@@H]1C[C@H](NC(=O)c2ccc(NC(=O)[O-])cc2)C12CCCCC2 ZINC000829931619 601438758 /nfs/dbraw/zinc/43/87/58/601438758.db2.gz RFZLKXGEVFWUPD-JKSUJKDBSA-N -1 0 346.427 3.634 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccc(OC3CCC3)c(F)c2)C1 ZINC000180131104 601454149 /nfs/dbraw/zinc/45/41/49/601454149.db2.gz SDTJUTADMXUXGH-NWDGAFQWSA-N -1 0 335.375 3.587 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)c1nc(Cl)ccc1Cl ZINC000830394612 601458900 /nfs/dbraw/zinc/45/89/00/601458900.db2.gz JDPJHCZVMBKPNH-UHFFFAOYSA-N -1 0 344.150 3.599 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)C[C@H](C)c1ccccc1C(F)(F)F ZINC000237005978 601459848 /nfs/dbraw/zinc/45/98/48/601459848.db2.gz SLKAYHFQZAKGLV-ZBEGNZNMSA-N -1 0 345.361 3.959 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1sc(-c2cccs2)nc1C ZINC000237056644 601460822 /nfs/dbraw/zinc/46/08/22/601460822.db2.gz ZZQJEYHEIXBNHT-HNNXBMFYSA-N -1 0 338.454 3.553 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)CCc1cccc(OC2CCCC2)c1 ZINC000237096191 601465598 /nfs/dbraw/zinc/46/55/98/601465598.db2.gz JYSMFRPUULNEFW-HXUWFJFHSA-N -1 0 347.455 3.700 20 0 EHADRM O=C([O-])[C@@H](OC(=O)C/C=C\c1cccc(F)c1)c1ccccc1F ZINC000833095945 601472261 /nfs/dbraw/zinc/47/22/61/601472261.db2.gz FAXCZCBFMSIYNF-AATOQMJSSA-N -1 0 332.302 3.737 20 0 EHADRM Cc1c2ccccc2oc1C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000326811740 601473628 /nfs/dbraw/zinc/47/36/28/601473628.db2.gz VOFWUQLJYVMPGP-KRWDZBQOSA-N -1 0 335.359 3.565 20 0 EHADRM Cc1c2ccccc2oc1C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000326811742 601473632 /nfs/dbraw/zinc/47/36/32/601473632.db2.gz VOFWUQLJYVMPGP-QGZVFWFLSA-N -1 0 335.359 3.565 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2ccc(SC(F)F)cc2)CCC1 ZINC000833203322 601476792 /nfs/dbraw/zinc/47/67/92/601476792.db2.gz MBVFWRHALOHTHV-UHFFFAOYSA-N -1 0 330.356 3.520 20 0 EHADRM CC(C)Cn1cc(NC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cn1 ZINC000826917962 601477731 /nfs/dbraw/zinc/47/77/31/601477731.db2.gz QTLXSEFFDXGMLU-UHFFFAOYSA-N -1 0 336.779 3.535 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)CCc1cc(Cl)cs1 ZINC000262563585 601483398 /nfs/dbraw/zinc/48/33/98/601483398.db2.gz ZKRPUTSVSDZOLT-MRXNPFEDSA-N -1 0 349.839 3.545 20 0 EHADRM O=C([O-])c1sc2ccccc2c1COC(=O)CCc1ccoc1 ZINC000833103530 601483999 /nfs/dbraw/zinc/48/39/99/601483999.db2.gz QGRKWMUWNQVTMD-UHFFFAOYSA-N -1 0 330.361 3.869 20 0 EHADRM Cc1ccc2cccc(NC(=O)N3CCC(CCC(=O)[O-])CC3)c2n1 ZINC000327345088 601486035 /nfs/dbraw/zinc/48/60/35/601486035.db2.gz HHHZXBXARLBSCZ-UHFFFAOYSA-N -1 0 341.411 3.652 20 0 EHADRM Cc1ccc(/C=C\CC(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000832927788 601499334 /nfs/dbraw/zinc/49/93/34/601499334.db2.gz KUPYYWPHBVDTIY-HKLWWIALSA-N -1 0 329.421 3.792 20 0 EHADRM Cc1cccc(NC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)c1C ZINC000237691845 601525136 /nfs/dbraw/zinc/52/51/36/601525136.db2.gz JLWVHKXAURLEQL-UHFFFAOYSA-N -1 0 327.380 3.636 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(Cl)c2)cc(C)c1OCC(=O)[O-] ZINC000237795853 601525145 /nfs/dbraw/zinc/52/51/45/601525145.db2.gz TXAXKYQXJHNZOV-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1ccc2ccc(Cl)cc2n1 ZINC000833161385 601534695 /nfs/dbraw/zinc/53/46/95/601534695.db2.gz ANNMOJNKVYDXRJ-UHFFFAOYSA-N -1 0 332.768 3.900 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)Sc1cccc(F)c1 ZINC000832915867 601546822 /nfs/dbraw/zinc/54/68/22/601546822.db2.gz LLOXVEPEXISLNZ-LLVKDONJSA-N -1 0 333.384 3.952 20 0 EHADRM CCN(C(=O)/C=C\SCc1ccco1)c1ccccc1C(=O)[O-] ZINC000829590671 601572431 /nfs/dbraw/zinc/57/24/31/601572431.db2.gz ANTHTNHSLUZETC-LUAWRHEFSA-N -1 0 331.393 3.778 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CCCc2ccccc21)c1ccc(Cl)cc1 ZINC000345869861 601585650 /nfs/dbraw/zinc/58/56/50/601585650.db2.gz UPGOKZAWMPUOEQ-SJORKVTESA-N -1 0 343.810 3.702 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000540667254 601585883 /nfs/dbraw/zinc/58/58/83/601585883.db2.gz LKYGUDFJEZRIHL-MEDUHNTESA-N -1 0 349.789 3.600 20 0 EHADRM O=C([O-])[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1 ZINC000833167565 601586453 /nfs/dbraw/zinc/58/64/53/601586453.db2.gz NWRXEMMQQPPRNY-FVTZREDMSA-N -1 0 347.842 3.798 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Cc1cc2ccccc2o1)c1ccc(Cl)cc1 ZINC000833117660 601586706 /nfs/dbraw/zinc/58/67/06/601586706.db2.gz ZMBUTGBEJDUTBZ-KRWDZBQOSA-N -1 0 343.766 3.571 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CCCc1ccc2c(c1)-c1ccccc1C2)C1CC1 ZINC000431445001 601593439 /nfs/dbraw/zinc/59/34/39/601593439.db2.gz MGNWWPQZEZAWEI-NRFANRHFSA-N -1 0 349.430 3.560 20 0 EHADRM O=C([O-])C1(CNC(=O)c2ccccc2SC(F)(F)F)CCCC1 ZINC000321828662 601598318 /nfs/dbraw/zinc/59/83/18/601598318.db2.gz FSDJSNCMCJWGIP-UHFFFAOYSA-N -1 0 347.358 3.673 20 0 EHADRM O=C([O-])C1(CNC(=O)c2ccc(-c3ccccc3Cl)o2)CCCC1 ZINC000676023195 601599080 /nfs/dbraw/zinc/59/90/80/601599080.db2.gz LZCJFZOCNFAOQY-UHFFFAOYSA-N -1 0 347.798 3.975 20 0 EHADRM Cc1nc(CC(C)C)c(C(=O)O[C@H](C(=O)[O-])c2ccccc2)s1 ZINC000832998402 601606160 /nfs/dbraw/zinc/60/61/60/601606160.db2.gz LIXDHJGAODOKLG-AWEZNQCLSA-N -1 0 333.409 3.633 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NCc1csc(C(C)(C)C)n1 ZINC000832901142 601606483 /nfs/dbraw/zinc/60/64/83/601606483.db2.gz WMHVQXHJPHHUGK-UHFFFAOYSA-N -1 0 334.441 3.825 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)/C=C\SCc1ccco1)c1ccccc1 ZINC000492344859 601612009 /nfs/dbraw/zinc/61/20/09/601612009.db2.gz CFVYDBQXBCMZCM-HKQUFULSSA-N -1 0 345.420 3.605 20 0 EHADRM Cc1oc(CS(=O)(=O)CC[C@H]2C[C@H](C)C[C@H](C)C2)cc1C(=O)[O-] ZINC000833028060 601613333 /nfs/dbraw/zinc/61/33/33/601613333.db2.gz ZYSBLSQTHQDYQF-IMRBUKKESA-N -1 0 342.457 3.663 20 0 EHADRM Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2CC(=O)[O-])ccc1Cl ZINC000237614416 601614348 /nfs/dbraw/zinc/61/43/48/601614348.db2.gz BZXROPOIONZJMH-LBPRGKRZSA-N -1 0 347.798 3.682 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)Nc1ccc(F)c(F)c1)c1ccccc1 ZINC000826038964 601614408 /nfs/dbraw/zinc/61/44/08/601614408.db2.gz KBWZDDQBRSSACG-ZUZCIYMTSA-N -1 0 334.322 3.548 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000830249266 601615060 /nfs/dbraw/zinc/61/50/60/601615060.db2.gz DPNALYQNISQEFE-CQSZACIVSA-N -1 0 338.835 3.840 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1F ZINC000013256908 601618728 /nfs/dbraw/zinc/61/87/28/601618728.db2.gz QPMWCGFHDBNXAD-HNNXBMFYSA-N -1 0 335.762 3.733 20 0 EHADRM Cc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c1C ZINC000013173708 601620344 /nfs/dbraw/zinc/62/03/44/601620344.db2.gz IBNXOJKNSTYRQL-INIZCTEOSA-N -1 0 331.799 3.903 20 0 EHADRM COc1cc(C)ccc1NC(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000831966528 601621542 /nfs/dbraw/zinc/62/15/42/601621542.db2.gz AKQPNOAXOLXOLF-DYVFJYSZSA-N -1 0 342.395 3.587 20 0 EHADRM CC1(CNC(=O)c2ccccc2SCc2occc2C(=O)[O-])CC1 ZINC000262444731 601622831 /nfs/dbraw/zinc/62/28/31/601622831.db2.gz VHSJTBCXUWQFOR-UHFFFAOYSA-N -1 0 345.420 3.800 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CN1CCO[C@@H](c2ccccc2C)C1 ZINC000570169496 601642584 /nfs/dbraw/zinc/64/25/84/601642584.db2.gz WWUGXSKOOULLSL-MRXNPFEDSA-N -1 0 331.437 3.637 20 0 EHADRM O=C([O-])c1sccc1NC(=O)c1cnc(Cc2ccccc2)s1 ZINC000833161290 601654334 /nfs/dbraw/zinc/65/43/34/601654334.db2.gz GVQUVWQJPQFZGO-UHFFFAOYSA-N -1 0 344.417 3.746 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc2ccsc2[nH]1)c1ccc(Cl)cc1 ZINC000833264966 601664028 /nfs/dbraw/zinc/66/40/28/601664028.db2.gz NDINTGHFHCAUTH-LBPRGKRZSA-N -1 0 348.811 3.829 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N[C@H](C2CCCC2)C(F)(F)F)cc1 ZINC000192987806 601664630 /nfs/dbraw/zinc/66/46/30/601664630.db2.gz PZVMMANWEIGPRM-OAHLLOKOSA-N -1 0 343.345 3.555 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)c1cc(F)cc(Cl)c1)c1ccccc1 ZINC000833222437 601670775 /nfs/dbraw/zinc/67/07/75/601670775.db2.gz PZCNJEUKHKFTJT-OAHLLOKOSA-N -1 0 335.762 3.815 20 0 EHADRM Cn1cc(CCC(=O)Nc2sccc2C(=O)[O-])c2ccccc21 ZINC000833045539 601671545 /nfs/dbraw/zinc/67/15/45/601671545.db2.gz ZFHSKTZIELENKM-UHFFFAOYSA-N -1 0 328.393 3.509 20 0 EHADRM C[C@@]1(C(=O)Nc2ccc(Oc3ccccc3)cc2C(=O)[O-])CCCO1 ZINC000827976204 601671849 /nfs/dbraw/zinc/67/18/49/601671849.db2.gz OVWZHGHYWPEWLF-IBGZPJMESA-N -1 0 341.363 3.685 20 0 EHADRM CN(C(=O)CCCc1cc(Cl)sc1Cl)C(C)(C)C(=O)[O-] ZINC000262054501 601674553 /nfs/dbraw/zinc/67/45/53/601674553.db2.gz AUBHYVWUDPZMOT-UHFFFAOYSA-N -1 0 338.256 3.699 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)[C@H]1C[C@H]1Cc1ccccc1)c1ccccc1 ZINC000833223537 601675598 /nfs/dbraw/zinc/67/55/98/601675598.db2.gz QCBVDOLYJNZJKH-QYZOEREBSA-N -1 0 337.419 3.588 20 0 EHADRM O=C([O-])CSCc1cccc(Nc2c(F)c(F)nc(F)c2F)c1 ZINC000833264077 601679645 /nfs/dbraw/zinc/67/96/45/601679645.db2.gz XCZUDDPFBPNRAF-UHFFFAOYSA-N -1 0 346.305 3.699 20 0 EHADRM C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)NCC(C)(C)C(=O)[O-] ZINC000827928822 601682747 /nfs/dbraw/zinc/68/27/47/601682747.db2.gz RFBUEBMQMKNAAX-JTQLQIEISA-N -1 0 346.349 3.519 20 0 EHADRM COc1cc(NCc2ccc(Cl)s2)c(C(=O)[O-])cc1OC ZINC000832026923 601686571 /nfs/dbraw/zinc/68/65/71/601686571.db2.gz RXCQDNFEMVVODL-UHFFFAOYSA-N -1 0 327.789 3.729 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000833289218 601690979 /nfs/dbraw/zinc/69/09/79/601690979.db2.gz GTOTXXUKOXZSHW-CQSZACIVSA-N -1 0 328.343 3.545 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc(NC(=O)[O-])c1)c1ccc(F)cc1F ZINC000832814013 601696435 /nfs/dbraw/zinc/69/64/35/601696435.db2.gz IXTYOURLZDVDLS-SECBINFHSA-N -1 0 335.310 3.937 20 0 EHADRM CC(C)(CNC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)C(=O)[O-] ZINC000767187584 601709799 /nfs/dbraw/zinc/70/97/99/601709799.db2.gz WYZHSWGYRVJNOM-GXDHUFHOSA-N -1 0 347.411 3.655 20 0 EHADRM Cc1ccccc1CC1CN(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)C1 ZINC000832980347 601713854 /nfs/dbraw/zinc/71/38/54/601713854.db2.gz ABFQNZRYXMYZCU-UHFFFAOYSA-N -1 0 338.407 3.708 20 0 EHADRM Cc1cccc(OCCC(=O)OCc2ccc(C(=O)[O-])c(F)c2)c1C ZINC000832972347 601721134 /nfs/dbraw/zinc/72/11/34/601721134.db2.gz ZFXMBFLHRXIDSR-UHFFFAOYSA-N -1 0 346.354 3.653 20 0 EHADRM CCSc1ccc(C(=O)OCc2cc(C(=O)[O-])sc2C)cn1 ZINC000830169684 601726679 /nfs/dbraw/zinc/72/66/79/601726679.db2.gz VSFKNAOFKQYTOZ-UHFFFAOYSA-N -1 0 337.422 3.619 20 0 EHADRM COc1cccc([C@H]2C[C@@H]2C(=O)OCc2cc(C(=O)[O-])sc2C)c1 ZINC000832539318 601727555 /nfs/dbraw/zinc/72/75/55/601727555.db2.gz AKKIMKXGMZQXCA-CABCVRRESA-N -1 0 346.404 3.610 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1cc(F)c(F)c(F)c1 ZINC000833032738 601727947 /nfs/dbraw/zinc/72/79/47/601727947.db2.gz HFGKWQVUCOLQKI-UHFFFAOYSA-N -1 0 330.283 3.529 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000827581734 601728495 /nfs/dbraw/zinc/72/84/95/601728495.db2.gz QKHWECNLYWUKQA-GFCCVEGCSA-N -1 0 348.395 3.996 20 0 EHADRM O=C([O-])c1ccc(COC(=O)C[C@H]2CCc3ccccc32)cc1F ZINC000833097333 601730184 /nfs/dbraw/zinc/73/01/84/601730184.db2.gz LGIDVRQFLFETGA-CQSZACIVSA-N -1 0 328.339 3.687 20 0 EHADRM Cc1ccc(NC(=O)N2CCc3c(F)ccc(F)c3C2)cc1C(=O)[O-] ZINC000832946213 601731619 /nfs/dbraw/zinc/73/16/19/601731619.db2.gz MKJYZYDLWMBVKU-UHFFFAOYSA-N -1 0 346.333 3.562 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1F ZINC000678988329 601734674 /nfs/dbraw/zinc/73/46/74/601734674.db2.gz ULMZOFWQPSRWAV-ZDUSSCGKSA-N -1 0 342.153 3.688 20 0 EHADRM Cc1cc2cc(C(=O)N[C@@H](C(=O)[O-])c3ccccc3F)oc2cc1C ZINC000678989239 601739305 /nfs/dbraw/zinc/73/93/05/601739305.db2.gz YPQFZYMNQPHNED-QGZVFWFLSA-N -1 0 341.338 3.744 20 0 EHADRM CC(C)[C@H](CC(=O)N[C@@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000678989099 601741566 /nfs/dbraw/zinc/74/15/66/601741566.db2.gz WNUUZDAJCNZSKC-QFBILLFUSA-N -1 0 343.398 3.898 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1F ZINC000678985327 601747054 /nfs/dbraw/zinc/74/70/54/601747054.db2.gz DGHKGBHDOFZWKH-ZDUSSCGKSA-N -1 0 342.153 3.688 20 0 EHADRM Cc1ccc(CCCC(=O)Nc2nc(CCCC(=O)[O-])cs2)cc1 ZINC000832929928 601748723 /nfs/dbraw/zinc/74/87/23/601748723.db2.gz GXCMLWVBIWAXOA-UHFFFAOYSA-N -1 0 346.452 3.820 20 0 EHADRM CC(C)(CNC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000316834651 601748832 /nfs/dbraw/zinc/74/88/32/601748832.db2.gz LITUDBNSCHIJNJ-UHFFFAOYSA-N -1 0 338.713 3.591 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Cc1csc2ccccc12)C1CCCCC1 ZINC000833119308 601751214 /nfs/dbraw/zinc/75/12/14/601751214.db2.gz JOTCUYJYFGJBJX-KRWDZBQOSA-N -1 0 331.437 3.594 20 0 EHADRM C[C@@H](C(=O)N[C@@H](C(=O)[O-])C1CCCCC1)c1ccc(Cl)s1 ZINC000621585503 601755690 /nfs/dbraw/zinc/75/56/90/601755690.db2.gz BYWIDVCDJAZITI-NOZJJQNGSA-N -1 0 329.849 3.655 20 0 EHADRM Cc1nc(C)c(NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)s1 ZINC000832995680 601759760 /nfs/dbraw/zinc/75/97/60/601759760.db2.gz GXJZGMDOFPUUQF-UHFFFAOYSA-N -1 0 334.401 3.514 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(SC3CCCC3)cc2)C[C@@H]1C(=O)[O-] ZINC000828377996 601776813 /nfs/dbraw/zinc/77/68/13/601776813.db2.gz NTGZXFVJLULZJM-WBMJQRKESA-N -1 0 348.468 3.906 20 0 EHADRM CN(C)C(=O)Sc1cccc(COc2cccc(C(=O)[O-])c2)c1 ZINC000830569311 601782511 /nfs/dbraw/zinc/78/25/11/601782511.db2.gz MEIXNPWGYXOKMJ-UHFFFAOYSA-N -1 0 331.393 3.738 20 0 EHADRM C[C@@H](C(=O)N(C[C@H](C)C(=O)[O-])C1CC1)c1ccc2ccccc2c1 ZINC000827432467 601802782 /nfs/dbraw/zinc/80/27/82/601802782.db2.gz MXJUNOILDLALQI-UONOGXRCSA-N -1 0 325.408 3.655 20 0 EHADRM Cc1cc(CCCC(=O)Nc2ccccc2CC(=O)[O-])c(C)s1 ZINC000237608090 601805102 /nfs/dbraw/zinc/80/51/02/601805102.db2.gz JLSWXEVQTOGENE-UHFFFAOYSA-N -1 0 331.437 3.953 20 0 EHADRM C[C@@H](NC(=O)CNc1cccc(C(=O)[O-])c1)c1cccc2ccccc21 ZINC000827636368 601810367 /nfs/dbraw/zinc/81/03/67/601810367.db2.gz LWNABCVMLJZFMT-CQSZACIVSA-N -1 0 348.402 3.827 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000826799960 601814123 /nfs/dbraw/zinc/81/41/23/601814123.db2.gz CWJOLECEZMDXQH-ZDUSSCGKSA-N -1 0 346.349 3.802 20 0 EHADRM CC[C@H]1CC[C@H](C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])O1 ZINC000829081150 601815124 /nfs/dbraw/zinc/81/51/24/601815124.db2.gz LLBWDLXHZALNJF-GXSJLCMTSA-N -1 0 325.430 3.640 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2ccc(SC(F)F)cc2)CC1 ZINC000777372562 601817346 /nfs/dbraw/zinc/81/73/46/601817346.db2.gz KPFQAUVKLFAANH-UHFFFAOYSA-N -1 0 343.395 3.718 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2ccc3nc(Cl)ccc3c2)CC1 ZINC000833224365 601823378 /nfs/dbraw/zinc/82/33/78/601823378.db2.gz WVSKZDNOGHMTMD-UHFFFAOYSA-N -1 0 346.814 3.605 20 0 EHADRM COc1ccc(-c2cncc(C(=O)Oc3ccc(C(=O)[O-])cc3)c2)cc1 ZINC000832123891 601845150 /nfs/dbraw/zinc/84/51/50/601845150.db2.gz CCCOUSZBGWXAIX-UHFFFAOYSA-N -1 0 349.342 3.675 20 0 EHADRM CCC[C@H](NC(=O)NCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000666513688 601848480 /nfs/dbraw/zinc/84/84/80/601848480.db2.gz PTXACZFUISPMCV-KRWDZBQOSA-N -1 0 326.396 3.725 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1cc(F)c(C)cc1F)c1ccccc1 ZINC000828594623 601863092 /nfs/dbraw/zinc/86/30/92/601863092.db2.gz HKOXAESWRRPWEH-MRXNPFEDSA-N -1 0 333.334 3.783 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)c2ccnc3ccccc32)cc1 ZINC000833264697 601871582 /nfs/dbraw/zinc/87/15/82/601871582.db2.gz VIJBETHTBMGCJD-UHFFFAOYSA-N -1 0 339.372 3.631 20 0 EHADRM CC(C)C[C@@H]1CCCCN1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000826832146 601881107 /nfs/dbraw/zinc/88/11/07/601881107.db2.gz MYWZDXSDLKXGNL-KRWDZBQOSA-N -1 0 347.459 3.929 20 0 EHADRM O=C([O-])c1ccc(CSc2nc3cc(Cl)cnc3[nH]2)s1 ZINC000833316350 601890457 /nfs/dbraw/zinc/89/04/57/601890457.db2.gz BCBWBQUYKVUMJR-UHFFFAOYSA-N -1 0 325.802 3.663 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)CCCOCc1ccccc1 ZINC000262052055 601903063 /nfs/dbraw/zinc/90/30/63/601903063.db2.gz AFQGBTRLLFJLQX-QZTJIDSGSA-N -1 0 347.455 3.523 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000739252349 601903991 /nfs/dbraw/zinc/90/39/91/601903991.db2.gz ZAXOGHGDZXCDBN-CXAGYDPISA-N -1 0 342.395 3.811 20 0 EHADRM CCC[C@@H](NC(=O)[O-])C(=O)Nc1ccc(Oc2cccnc2)c(C)c1 ZINC000739323445 601904843 /nfs/dbraw/zinc/90/48/43/601904843.db2.gz VSNWYKLLLLLJCT-OAHLLOKOSA-N -1 0 343.383 3.557 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)Cc1cc2ccccc2o1 ZINC000833117463 601913458 /nfs/dbraw/zinc/91/34/58/601913458.db2.gz VSPWWJVGVRBNLJ-HZPDHXFCSA-N -1 0 329.396 3.515 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000736378977 601944511 /nfs/dbraw/zinc/94/45/11/601944511.db2.gz YTWDENUBZCVHTE-INIZCTEOSA-N -1 0 333.432 3.662 20 0 EHADRM Cc1ccncc1C(=O)O[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000832984880 601952136 /nfs/dbraw/zinc/95/21/36/601952136.db2.gz MDHHZDDLBWGBLM-ZDUSSCGKSA-N -1 0 340.162 3.680 20 0 EHADRM O=C([O-])Nc1cc(C(=O)NCc2cccs2)cc(C(F)(F)F)c1 ZINC000833280991 601954861 /nfs/dbraw/zinc/95/48/61/601954861.db2.gz FADPXDJEXNEKDU-UHFFFAOYSA-N -1 0 344.314 3.787 20 0 EHADRM O=C([O-])c1cc(NC(=O)COC/C=C\c2ccccc2)ccc1Cl ZINC000833111808 601963132 /nfs/dbraw/zinc/96/31/32/601963132.db2.gz GJCOOHKEVUFICL-DAXSKMNVSA-N -1 0 345.782 3.707 20 0 EHADRM CN(C(=O)[O-])[C@@H]1CCCN(Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000739587749 601975332 /nfs/dbraw/zinc/97/53/32/601975332.db2.gz NOINJJPQTJCTRI-OAHLLOKOSA-N -1 0 349.818 3.569 20 0 EHADRM CN(C(=O)[O-])[C@H]1CCCN(Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000739589326 601978694 /nfs/dbraw/zinc/97/86/94/601978694.db2.gz XNXDFQAYKVFATO-AWEZNQCLSA-N -1 0 349.818 3.569 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)c2cccc(OC(F)(F)F)c2)cc1 ZINC000833290345 601982538 /nfs/dbraw/zinc/98/25/38/601982538.db2.gz OHADZIYRVROHIV-UHFFFAOYSA-N -1 0 341.241 3.894 20 0 EHADRM C[C@@H](CNC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000827496738 601988977 /nfs/dbraw/zinc/98/89/77/601988977.db2.gz FONSMCGUCCKFEV-QMMMGPOBSA-N -1 0 330.306 3.571 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)cn1 ZINC000740706856 601992275 /nfs/dbraw/zinc/99/22/75/601992275.db2.gz ATLUAIYRFNRONV-STQMWFEESA-N -1 0 331.759 3.567 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)cn1 ZINC000740706853 601992661 /nfs/dbraw/zinc/99/26/61/601992661.db2.gz ATLUAIYRFNRONV-CHWSQXEVSA-N -1 0 331.759 3.567 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)c2cc3ccsc3[nH]2)cc1 ZINC000833264691 601998967 /nfs/dbraw/zinc/99/89/67/601998967.db2.gz UYOUWZDDAILAPY-UHFFFAOYSA-N -1 0 333.390 3.625 20 0 EHADRM CN(C(=O)C1CCCCCC1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830464717 602000580 /nfs/dbraw/zinc/00/05/80/602000580.db2.gz LFKPRAAMDYFHIE-OAHLLOKOSA-N -1 0 343.345 3.658 20 0 EHADRM Cc1ccc(OCCC(=O)OCc2ccc(C(=O)[O-])s2)cc1C ZINC000832950756 602002510 /nfs/dbraw/zinc/00/25/10/602002510.db2.gz GBXWMFYCJQXITH-UHFFFAOYSA-N -1 0 334.393 3.575 20 0 EHADRM C[C@@H](NC(=O)[O-])[C@H]1CCCCN1C(=O)c1cc2sccc2s1 ZINC000739000330 602006051 /nfs/dbraw/zinc/00/60/51/602006051.db2.gz HRPCWIKLPFWWTP-NXEZZACHSA-N -1 0 338.454 3.614 20 0 EHADRM O=C([O-])c1ccc(NC(=O)COC/C=C/c2ccccc2)cc1Cl ZINC000833111490 602014462 /nfs/dbraw/zinc/01/44/62/602014462.db2.gz FTEACWQPPDAAIK-QPJJXVBHSA-N -1 0 345.782 3.707 20 0 EHADRM CC[C@@H](CC(=O)N(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1)C(C)C ZINC000828770304 602016907 /nfs/dbraw/zinc/01/69/07/602016907.db2.gz IOGSTSVIHOAXTL-QFYYESIMSA-N -1 0 345.361 3.760 20 0 EHADRM CCC[C@@H]1CCCN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC000829256717 602037432 /nfs/dbraw/zinc/03/74/32/602037432.db2.gz SKJSACAJZUJHFA-CQSZACIVSA-N -1 0 334.416 3.584 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)Nc1ccc2[nH]ccc2c1 ZINC000833157138 602037702 /nfs/dbraw/zinc/03/77/02/602037702.db2.gz MKUZHACIGZGKBG-GOEBONIOSA-N -1 0 329.400 3.713 20 0 EHADRM COc1ccc(N(C)C(=O)c2ccccc2NC(=O)[O-])cc1Cl ZINC000832378423 602060430 /nfs/dbraw/zinc/06/04/30/602060430.db2.gz MVLZNIACSLTVSA-UHFFFAOYSA-N -1 0 334.759 3.715 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)/C=C/c2ccnc3ccccc23)c1 ZINC000492185670 602065466 /nfs/dbraw/zinc/06/54/66/602065466.db2.gz BBHDBFPZFCQZOX-CMDGGOBGSA-N -1 0 332.359 3.514 20 0 EHADRM CCSCc1ccc(C(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000345865086 602068345 /nfs/dbraw/zinc/06/83/45/602068345.db2.gz RXUODVLEBORBNU-UHFFFAOYSA-N -1 0 329.421 3.819 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)c1 ZINC000238123475 602068789 /nfs/dbraw/zinc/06/87/89/602068789.db2.gz MLHSOCHLHZJDCT-UHFFFAOYSA-N -1 0 342.782 3.630 20 0 EHADRM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000236888456 602069851 /nfs/dbraw/zinc/06/98/51/602069851.db2.gz DUTMGUHQOPAQHH-OAHLLOKOSA-N -1 0 347.798 3.763 20 0 EHADRM Cc1coc(-c2cc(NC(=O)c3cccc(C(=O)[O-])c3)ccc2C)n1 ZINC000832988461 602073396 /nfs/dbraw/zinc/07/33/96/602073396.db2.gz ZXSHACVEHRLKHA-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2cccc(CC(=O)[O-])c2)o1 ZINC000325677169 602074166 /nfs/dbraw/zinc/07/41/66/602074166.db2.gz HGPJUCBKPZMEKP-BLLLJJGKSA-N -1 0 327.380 3.601 20 0 EHADRM CC(C)c1cccc(O[C@H](C)C(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000236804839 602075004 /nfs/dbraw/zinc/07/50/04/602075004.db2.gz SGAAFEGQDWQLDW-CQSZACIVSA-N -1 0 341.407 3.843 20 0 EHADRM COc1cc2c(cc1NC(=O)[C@H](C)CC(=O)[O-])oc1ccccc12 ZINC000832102525 602078939 /nfs/dbraw/zinc/07/89/39/602078939.db2.gz FSNMDJIAVLRTTK-SNVBAGLBSA-N -1 0 327.336 3.644 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000827293160 602084431 /nfs/dbraw/zinc/08/44/31/602084431.db2.gz VTXZTUPMVKOIJO-BJXZGOBOSA-N -1 0 349.430 3.511 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@H]1C[C@@H]1C1CC1)c1cc(Cl)cc(Cl)c1 ZINC000833170513 602089661 /nfs/dbraw/zinc/08/96/61/602089661.db2.gz QGADTKSISJXINZ-FRRDWIJNSA-N -1 0 329.179 3.708 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)N1CC[C@H]1c1cccc(F)c1 ZINC000833224696 602097326 /nfs/dbraw/zinc/09/73/26/602097326.db2.gz QJOXHGQGUUDZNI-INIZCTEOSA-N -1 0 336.407 3.707 20 0 EHADRM CSCCc1ccc(NC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000738194999 602098941 /nfs/dbraw/zinc/09/89/41/602098941.db2.gz PBGBJSOJUSPHPG-UHFFFAOYSA-N -1 0 330.409 3.934 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(C(=O)[O-])c2)c(Br)s1 ZINC000832865217 602099303 /nfs/dbraw/zinc/09/93/03/602099303.db2.gz UNWLPRHYQHYQLD-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)Nc1ccc(SC(F)F)cc1 ZINC000739242881 602102821 /nfs/dbraw/zinc/10/28/21/602102821.db2.gz ZGEYJAQSNCBHDR-KWQFWETISA-N -1 0 332.372 3.622 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)Nc1ccc(SC(F)F)cc1 ZINC000739242879 602102869 /nfs/dbraw/zinc/10/28/69/602102869.db2.gz ZGEYJAQSNCBHDR-KCJUWKMLSA-N -1 0 332.372 3.622 20 0 EHADRM Cc1ccc(-c2csc(Cc3noc([C@@H](C)CC(=O)[O-])n3)n2)cc1 ZINC000832907074 602104988 /nfs/dbraw/zinc/10/49/88/602104988.db2.gz LRZNLNRFIQNBBL-NSHDSACASA-N -1 0 343.408 3.671 20 0 EHADRM CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)C12CCC2 ZINC000829918092 602107400 /nfs/dbraw/zinc/10/74/00/602107400.db2.gz MRGOVIGKOCNEQE-HZPDHXFCSA-N -1 0 346.427 3.505 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N[C@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000827273807 602108509 /nfs/dbraw/zinc/10/85/09/602108509.db2.gz UHGJFOIUOCZXGO-CHWSQXEVSA-N -1 0 345.370 3.906 20 0 EHADRM Cc1sc(NC(=O)COC/C=C/c2ccccc2)c(C(=O)[O-])c1C ZINC000833036498 602109965 /nfs/dbraw/zinc/10/99/65/602109965.db2.gz LMRJXOSNNTWSQH-RMKNXTFCSA-N -1 0 345.420 3.732 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)Nc1ccc(-c2nc(C)c(C)o2)cc1 ZINC000739229455 602134239 /nfs/dbraw/zinc/13/42/39/602134239.db2.gz GLJMFSVRIXZJMN-BONVTDFDSA-N -1 0 345.399 3.579 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2cc3ccccc3c(Cl)n2)c1 ZINC000326357677 602141741 /nfs/dbraw/zinc/14/17/41/602141741.db2.gz GDCPUHLLJMRLMZ-UHFFFAOYSA-N -1 0 340.766 3.768 20 0 EHADRM COCCC1(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CCCC1 ZINC000181867137 602150188 /nfs/dbraw/zinc/15/01/88/602150188.db2.gz FRGYTYBXRIVEPA-UHFFFAOYSA-N -1 0 325.792 3.574 20 0 EHADRM CCS[C@@H](C)c1noc(COc2ccc(Cl)cc2C(=O)[O-])n1 ZINC000830151456 602159119 /nfs/dbraw/zinc/15/91/19/602159119.db2.gz YTKVKZOZAHOTHH-QMMMGPOBSA-N -1 0 342.804 3.814 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cc(C(F)(F)F)ccc1F ZINC000828789973 602162211 /nfs/dbraw/zinc/16/22/11/602162211.db2.gz AKAUWRABNLBCTL-UHFFFAOYSA-N -1 0 335.297 3.608 20 0 EHADRM COc1cc(OC)cc([C@H](Nc2ccc(F)c(Cl)c2)C(=O)[O-])c1 ZINC000832063884 602163018 /nfs/dbraw/zinc/16/30/18/602163018.db2.gz BCZONBFDNJOUKA-HNNXBMFYSA-N -1 0 339.750 3.734 20 0 EHADRM CCSc1ccc(C(=O)Nc2cc(NC(=O)[O-])ccc2F)cn1 ZINC000739519766 602169104 /nfs/dbraw/zinc/16/91/04/602169104.db2.gz XIFLTXNJIIRUFP-UHFFFAOYSA-N -1 0 335.360 3.675 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)c1sccc1Br ZINC000740716171 602175810 /nfs/dbraw/zinc/17/58/10/602175810.db2.gz UXOQZTMCYLWHKM-UHFFFAOYSA-N -1 0 341.186 3.853 20 0 EHADRM CCC1(CNC(=O)c2ccccc2S[C@H](C)C(=O)[O-])CCCC1 ZINC000236638475 602193012 /nfs/dbraw/zinc/19/30/12/602193012.db2.gz QVVCZMFZDSOOEL-CYBMUJFWSA-N -1 0 335.469 3.952 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)OCc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000827341550 602195866 /nfs/dbraw/zinc/19/58/66/602195866.db2.gz HKTJDWSMFPQCLB-LLVKDONJSA-N -1 0 349.770 3.681 20 0 EHADRM Cc1[nH]c2ccc(C(=O)Nc3cccc(CNC(=O)[O-])c3)cc2c1C ZINC000740033120 602199821 /nfs/dbraw/zinc/19/98/21/602199821.db2.gz DYCWXRBDGAQWQL-UHFFFAOYSA-N -1 0 337.379 3.805 20 0 EHADRM Cc1cccc(CSCC(=O)Nc2cccc(CNC(=O)[O-])c2)c1 ZINC000740165941 602201672 /nfs/dbraw/zinc/20/16/72/602201672.db2.gz DWSGDQGSITWJLZ-UHFFFAOYSA-N -1 0 344.436 3.635 20 0 EHADRM CCC[C@](C)(NC(=O)[O-])C(=O)OCc1coc(-c2ccc(C)cc2)n1 ZINC000739295101 602220099 /nfs/dbraw/zinc/22/00/99/602220099.db2.gz FOMHOLKIUWAGQY-SFHVURJKSA-N -1 0 346.383 3.520 20 0 EHADRM CCC(C)(C)NC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000828611907 602225940 /nfs/dbraw/zinc/22/59/40/602225940.db2.gz JTMDQYWNCJHEOS-UHFFFAOYSA-N -1 0 330.384 3.613 20 0 EHADRM CC(C)(NC(=O)[O-])c1noc(CS[C@H]2CCCc3ccccc32)n1 ZINC000738758094 602231802 /nfs/dbraw/zinc/23/18/02/602231802.db2.gz RMWKPPUOGNMOCH-ZDUSSCGKSA-N -1 0 347.440 3.883 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)CCc3ccc(Cl)cc3)ccc21 ZINC000740361011 602240763 /nfs/dbraw/zinc/24/07/63/602240763.db2.gz SAKJSGXYBWLYGN-UHFFFAOYSA-N -1 0 344.798 3.952 20 0 EHADRM O=C([O-])c1cc(NC(=O)NC2(Cc3ccccc3)CCC2)ccc1F ZINC000833156230 602276633 /nfs/dbraw/zinc/27/66/33/602276633.db2.gz DMUFVBCGFZALCI-UHFFFAOYSA-N -1 0 342.370 3.811 20 0 EHADRM CC(C)(C)Sc1ccc(NC(=O)C2CCN(C(=O)[O-])CC2)cc1 ZINC000737586354 602292004 /nfs/dbraw/zinc/29/20/04/602292004.db2.gz VNMBMJNAZJGMOL-UHFFFAOYSA-N -1 0 336.457 3.906 20 0 EHADRM COc1cc(NC(=O)c2ccc(C)c(Cl)c2)ccc1NC(=O)[O-] ZINC000739864955 602292579 /nfs/dbraw/zinc/29/25/79/602292579.db2.gz ANQCRNMGNHFXEM-UHFFFAOYSA-N -1 0 334.759 3.999 20 0 EHADRM CC(C)[C@H](NC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)C(=O)[O-] ZINC000236727613 602295203 /nfs/dbraw/zinc/29/52/03/602295203.db2.gz DCCLXJCEZGBQDP-YLBKJLTLSA-N -1 0 349.736 3.511 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F ZINC000776609030 602297273 /nfs/dbraw/zinc/29/72/73/602297273.db2.gz XCHOTJRZQDSQTI-FMIVXFBMSA-N -1 0 349.736 3.609 20 0 EHADRM C[C@H](C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12)C(C)(C)C ZINC000826021031 602299863 /nfs/dbraw/zinc/29/98/63/602299863.db2.gz KWJVKGPBJLYEFZ-GFCCVEGCSA-N -1 0 329.396 3.924 20 0 EHADRM C[C@@H](CC(=O)OC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccccc1F ZINC000738891069 602302040 /nfs/dbraw/zinc/30/20/40/602302040.db2.gz MIEDGKFNUZDKRO-ICIURTGMSA-N -1 0 335.375 3.536 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)ccc1Cl ZINC000192846843 602307715 /nfs/dbraw/zinc/30/77/15/602307715.db2.gz YPGBCRPBBCOODF-HNNXBMFYSA-N -1 0 335.762 3.733 20 0 EHADRM C[C@@H]1CC[C@@H](CC(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)C1 ZINC000828221014 602312298 /nfs/dbraw/zinc/31/22/98/602312298.db2.gz GPAJICDMRFGRQF-NXEZZACHSA-N -1 0 333.413 3.601 20 0 EHADRM CCOc1cc(Cl)ccc1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000180130032 602324097 /nfs/dbraw/zinc/32/40/97/602324097.db2.gz XOWCLWYKGYSKBX-QWRGUYRKSA-N -1 0 325.792 3.568 20 0 EHADRM CCOc1cc(Cl)ccc1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000180130046 602324169 /nfs/dbraw/zinc/32/41/69/602324169.db2.gz XOWCLWYKGYSKBX-GHMZBOCLSA-N -1 0 325.792 3.568 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1ccc(C(=O)[O-])s1 ZINC000237026236 602328946 /nfs/dbraw/zinc/32/89/46/602328946.db2.gz ILPKDCKJOBBRCX-AWEZNQCLSA-N -1 0 331.437 3.930 20 0 EHADRM Cc1ccc(CC(=O)Nc2ccc(OCC(=O)[O-])cc2C)c(Cl)c1 ZINC000832929529 602344640 /nfs/dbraw/zinc/34/46/40/602344640.db2.gz WTVSZUSGGBOZMC-UHFFFAOYSA-N -1 0 347.798 3.601 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1cccc(C(C)C)n1 ZINC000831975441 602347160 /nfs/dbraw/zinc/34/71/60/602347160.db2.gz FOCNTXMYPWGSDX-NTMALXAHSA-N -1 0 341.363 3.531 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(CC)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000828901351 602354373 /nfs/dbraw/zinc/35/43/73/602354373.db2.gz RMAOPUKPHNWAKI-INIZCTEOSA-N -1 0 343.427 3.598 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)cc1F ZINC000767206571 602355228 /nfs/dbraw/zinc/35/52/28/602355228.db2.gz TZHWWNXRWSASKW-KGLIPLIRSA-N -1 0 333.746 3.920 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1F ZINC000323137425 602356774 /nfs/dbraw/zinc/35/67/74/602356774.db2.gz IEXZWXJSVATPCK-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCc2cc(Cl)cs2)cc1F ZINC000767200582 602357192 /nfs/dbraw/zinc/35/71/92/602357192.db2.gz KRVLTXMPDFNNSD-UHFFFAOYSA-N -1 0 327.764 3.810 20 0 EHADRM Cc1ccc(SCCC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000323030749 602360831 /nfs/dbraw/zinc/36/08/31/602360831.db2.gz WLJYUKJMQXQGME-UHFFFAOYSA-N -1 0 333.384 3.953 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cc2ccc(C(F)(F)F)cc2)cc1F ZINC000392420220 602360898 /nfs/dbraw/zinc/36/08/98/602360898.db2.gz FUBBYIVRUKFIFV-UHFFFAOYSA-N -1 0 341.260 3.724 20 0 EHADRM CC(C)c1ccccc1OCC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000325964640 602360937 /nfs/dbraw/zinc/36/09/37/602360937.db2.gz RJWWASLONWMFSQ-UHFFFAOYSA-N -1 0 331.343 3.665 20 0 EHADRM CC(C)C[C@@H](NC(=O)Nc1cc(C(=O)[O-])n(C)c1)c1ccccc1 ZINC000826793281 602361249 /nfs/dbraw/zinc/36/12/49/602361249.db2.gz MGMJLMOENUSAGT-OAHLLOKOSA-N -1 0 329.400 3.632 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1F ZINC000833154132 602369707 /nfs/dbraw/zinc/36/97/07/602369707.db2.gz RITXJUUQCFSIAQ-BDAKNGLRSA-N -1 0 348.296 3.767 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2C(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1 ZINC000832929478 602372880 /nfs/dbraw/zinc/37/28/80/602372880.db2.gz NGDNOCBNQQPKMM-INIZCTEOSA-N -1 0 341.411 3.791 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H]2CCCc3ccccc32)cc1F ZINC000325858363 602385305 /nfs/dbraw/zinc/38/53/05/602385305.db2.gz CUZWMCCSXZVJGM-INIZCTEOSA-N -1 0 328.343 3.723 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)o1 ZINC000828200990 602386587 /nfs/dbraw/zinc/38/65/87/602386587.db2.gz MWZCEDRRAQXGNY-RNCFNFMXSA-N -1 0 332.331 3.562 20 0 EHADRM C[C@@H]1c2ccccc2CCN1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000828528692 602387173 /nfs/dbraw/zinc/38/71/73/602387173.db2.gz YREHOCORBCENCZ-LLVKDONJSA-N -1 0 328.343 3.675 20 0 EHADRM CCC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccccn1 ZINC000829223263 602387244 /nfs/dbraw/zinc/38/72/44/602387244.db2.gz NXGAKEJLZMKQBI-OAHLLOKOSA-N -1 0 331.347 3.582 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CC1CCSCC1)c1cccc(Cl)c1 ZINC000776675885 602390777 /nfs/dbraw/zinc/39/07/77/602390777.db2.gz XXWPTDIKROMKHF-AWEZNQCLSA-N -1 0 341.860 3.505 20 0 EHADRM CSc1cc(C)ccc1CNC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000832774640 602390898 /nfs/dbraw/zinc/39/08/98/602390898.db2.gz UPDHTHCSAWSEMU-UHFFFAOYSA-N -1 0 348.399 3.876 20 0 EHADRM Cc1nc(-c2ccccc2)ccc1C(=O)N(CC(=O)[O-])C1CCCC1 ZINC000621575540 602400380 /nfs/dbraw/zinc/40/03/80/602400380.db2.gz CTHQFYXAUDHWRT-UHFFFAOYSA-N -1 0 338.407 3.526 20 0 EHADRM O=C([O-])N[C@@H](CCc1nc(-c2ccsc2)no1)c1ccccc1 ZINC000740540301 602405982 /nfs/dbraw/zinc/40/59/82/602405982.db2.gz NYNVIPUMCWHABH-ZDUSSCGKSA-N -1 0 329.381 3.740 20 0 EHADRM CC(C)c1ccc(NC(=O)N2CCC(CN(C)C(=O)[O-])CC2)cc1 ZINC000738875976 602408270 /nfs/dbraw/zinc/40/82/70/602408270.db2.gz JLFYNLIBAZAQOV-UHFFFAOYSA-N -1 0 333.432 3.664 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(CC(C)(C)c2ccccc2)n1 ZINC000738817413 602408935 /nfs/dbraw/zinc/40/89/35/602408935.db2.gz RESIJEALIKLZDG-AWEZNQCLSA-N -1 0 331.416 3.945 20 0 EHADRM CC[C@H](C)Sc1ccc(NC(=O)NCCCNC(=O)[O-])c(C)c1 ZINC000739247495 602411669 /nfs/dbraw/zinc/41/16/69/602411669.db2.gz CLHIOCALCJREMT-LBPRGKRZSA-N -1 0 339.461 3.665 20 0 EHADRM O=C([O-])N1CC[C@H](CCNC(=O)c2sccc2-c2ccccc2)C1 ZINC000740429985 602412796 /nfs/dbraw/zinc/41/27/96/602412796.db2.gz RIEOSNVTUVYQQA-ZDUSSCGKSA-N -1 0 344.436 3.535 20 0 EHADRM O=C([O-])NC1(c2noc([C@H]3C[C@@H]3c3cccc(Cl)c3)n2)CCC1 ZINC000740548208 602416054 /nfs/dbraw/zinc/41/60/54/602416054.db2.gz FXZOYGKMZSPMQN-NEPJUHHUSA-N -1 0 333.775 3.641 20 0 EHADRM O=C([O-])NC1(c2noc(Cc3ccc(-c4ccccc4)cc3)n2)CCC1 ZINC000740549260 602418052 /nfs/dbraw/zinc/41/80/52/602418052.db2.gz PZCORFCYWRGGBW-UHFFFAOYSA-N -1 0 349.390 3.974 20 0 EHADRM Cc1oc(-c2cccs2)nc1CN1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000740274162 602448126 /nfs/dbraw/zinc/44/81/26/602448126.db2.gz JXNFLMZDFFNYHQ-NSHDSACASA-N -1 0 349.456 3.580 20 0 EHADRM C[C@H](NC(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000738987490 602451450 /nfs/dbraw/zinc/45/14/50/602451450.db2.gz LDEIDYWYCXHZCU-NSHDSACASA-N -1 0 347.802 3.990 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc(CNC(=O)[O-])c1)c1cccc(Cl)c1 ZINC000738978964 602451565 /nfs/dbraw/zinc/45/15/65/602451565.db2.gz DZZOACIMTFHFPL-LLVKDONJSA-N -1 0 347.802 3.990 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)N2CCC[C@H]2c2ccsc2)c1 ZINC000740676113 602452864 /nfs/dbraw/zinc/45/28/64/602452864.db2.gz MGTNDRCYGDMGIM-HNNXBMFYSA-N -1 0 345.424 3.885 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)NCc1cccc(Cl)c1)c1ccccc1 ZINC000740537343 602453806 /nfs/dbraw/zinc/45/38/06/602453806.db2.gz JNYCCNYETFVLLS-INIZCTEOSA-N -1 0 346.814 3.745 20 0 EHADRM CCc1ccc(CNC(=O)CC[C@H](NC(=O)[O-])c2ccccc2)s1 ZINC000739541322 602459943 /nfs/dbraw/zinc/45/99/43/602459943.db2.gz DUSJKEUFKBCCSS-INIZCTEOSA-N -1 0 346.452 3.716 20 0 EHADRM CC(C)(C)CN(CC(F)(F)F)C(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000738697532 602462125 /nfs/dbraw/zinc/46/21/25/602462125.db2.gz GFZLZVKRTSHPHL-UHFFFAOYSA-N -1 0 346.349 3.505 20 0 EHADRM C[C@@H](Cc1ccsc1)NC(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000738945959 602463174 /nfs/dbraw/zinc/46/31/74/602463174.db2.gz CVFLTPYETLATGA-BBRMVZONSA-N -1 0 346.452 3.584 20 0 EHADRM Cc1csc(Nc2cccc(NC(=O)CCCN(C)C(=O)[O-])c2)n1 ZINC000738821243 602463645 /nfs/dbraw/zinc/46/36/45/602463645.db2.gz LOXKUZGAENVGDV-UHFFFAOYSA-N -1 0 348.428 3.524 20 0 EHADRM Cc1csc([C@@H]2CCCCN2C(=O)c2ccc(NC(=O)[O-])cc2)n1 ZINC000738337214 602473911 /nfs/dbraw/zinc/47/39/11/602473911.db2.gz SFRYCUNYGXOSRR-AWEZNQCLSA-N -1 0 345.424 3.909 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)N1CCC[C@@H]1C1CCC1)c1ccccc1 ZINC000740537415 602474497 /nfs/dbraw/zinc/47/44/97/602474497.db2.gz KOPKDACDJWILQI-IAGOWNOFSA-N -1 0 330.428 3.567 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2nc3c(s2)CCCC3)ccc1F ZINC000740700007 602481548 /nfs/dbraw/zinc/48/15/48/602481548.db2.gz XXLJJOPEFBOXSS-UHFFFAOYSA-N -1 0 335.360 3.503 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2cccc3ncccc32)ccc1F ZINC000740700041 602482334 /nfs/dbraw/zinc/48/23/34/602482334.db2.gz YDZOCOOJMSBDCH-UHFFFAOYSA-N -1 0 325.299 3.716 20 0 EHADRM CC(C)CN(CC(F)(F)F)C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000738823034 602484284 /nfs/dbraw/zinc/48/42/84/602484284.db2.gz XRBCYTIZUXXKME-UHFFFAOYSA-N -1 0 336.285 3.576 20 0 EHADRM O=C([O-])Nc1cc(C(=O)NCCc2ccc(Cl)s2)ccc1F ZINC000740695850 602485237 /nfs/dbraw/zinc/48/52/37/602485237.db2.gz OJWNHRFPNMDGKD-UHFFFAOYSA-N -1 0 342.779 3.603 20 0 EHADRM Cc1cc(C)c(OCC(=O)Nc2ccc(NC(=O)[O-])cc2)c(C)c1 ZINC000740064615 602499916 /nfs/dbraw/zinc/49/99/16/602499916.db2.gz UXFCSSFJYIZFND-UHFFFAOYSA-N -1 0 328.368 3.719 20 0 EHADRM CC(C)Oc1cccc(CC(=O)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000738867060 602504045 /nfs/dbraw/zinc/50/40/45/602504045.db2.gz VQHCBUSKXNGESG-UHFFFAOYSA-N -1 0 328.368 3.745 20 0 EHADRM O=C(/C=C\c1cccs1)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000740346516 602506528 /nfs/dbraw/zinc/50/65/28/602506528.db2.gz JUCBQJXMYSJDQZ-VURMDHGXSA-N -1 0 328.393 3.831 20 0 EHADRM Cn1cc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])c2ccccc21 ZINC000740284589 602507088 /nfs/dbraw/zinc/50/70/88/602507088.db2.gz ODWTXKMZNKYQGM-UHFFFAOYSA-N -1 0 349.390 3.861 20 0 EHADRM CCc1ccsc1C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739551778 602509364 /nfs/dbraw/zinc/50/93/64/602509364.db2.gz ZFTOCEFLQDFJJG-UHFFFAOYSA-N -1 0 330.409 3.993 20 0 EHADRM C[C@H]1CCCC[C@]1(CNC(=O)[O-])NC(=O)c1cccc(C(F)F)c1 ZINC000739098167 602509914 /nfs/dbraw/zinc/50/99/14/602509914.db2.gz IDIUBQSDYVOMBC-APPDUMDISA-N -1 0 340.370 3.571 20 0 EHADRM COc1ccccc1-c1cccc(NC(=O)[C@H](NC(=O)[O-])C(C)C)c1 ZINC000738114022 602513212 /nfs/dbraw/zinc/51/32/12/602513212.db2.gz RHNQDCAZEAXBJI-QGZVFWFLSA-N -1 0 342.395 3.593 20 0 EHADRM Cc1ccccc1C(C)(C)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000740185027 602514549 /nfs/dbraw/zinc/51/45/49/602514549.db2.gz RNNWMOIERSSTQM-UHFFFAOYSA-N -1 0 326.396 3.679 20 0 EHADRM CN(C(=O)[O-])C1CCN(Cc2csc(C3CCCCC3)n2)CC1 ZINC000737938079 602531455 /nfs/dbraw/zinc/53/14/55/602531455.db2.gz STWKPCWNOIOLHI-UHFFFAOYSA-N -1 0 337.489 3.765 20 0 EHADRM CCCc1nc(COC(=O)c2ccc(F)c(NC(=O)[O-])c2)cs1 ZINC000739379608 602550196 /nfs/dbraw/zinc/55/01/96/602550196.db2.gz PLJTXHJBKRAHTE-UHFFFAOYSA-N -1 0 338.360 3.682 20 0 EHADRM COc1cccc(NC(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])c1 ZINC000739953654 602554599 /nfs/dbraw/zinc/55/45/99/602554599.db2.gz RYVBYDZAMDXHRS-UHFFFAOYSA-N -1 0 341.367 3.770 20 0 EHADRM CN(C)[C@H](C(=O)Nc1ccc(NC(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000737362721 602591311 /nfs/dbraw/zinc/59/13/11/602591311.db2.gz ZVFSUZBQLJADDK-HNNXBMFYSA-N -1 0 347.802 3.671 20 0 EHADRM CC[C@H](C)Sc1ccc(NC(=O)NCCN(C)C(=O)[O-])c(C)c1 ZINC000739249851 602594172 /nfs/dbraw/zinc/59/41/72/602594172.db2.gz OXUZDFFUVGYGSN-LBPRGKRZSA-N -1 0 339.461 3.617 20 0 EHADRM CCN(C(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000739382960 602598206 /nfs/dbraw/zinc/59/82/06/602598206.db2.gz UIBBDASXEHUPOM-UHFFFAOYSA-N -1 0 331.294 3.812 20 0 EHADRM O=C([O-])N1CC[C@@H](NC(=O)Nc2ccccc2SC2CCCC2)C1 ZINC000740475629 602599525 /nfs/dbraw/zinc/59/95/25/602599525.db2.gz GWRBUMJFPBYZJT-GFCCVEGCSA-N -1 0 349.456 3.595 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N[C@H]2CCc3cc(F)ccc32)cc1 ZINC000740710625 602600424 /nfs/dbraw/zinc/60/04/24/602600424.db2.gz VWRFCQWDJNKODP-HNNXBMFYSA-N -1 0 329.331 3.725 20 0 EHADRM CCN(CCc1cccs1)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739438662 602600769 /nfs/dbraw/zinc/60/07/69/602600769.db2.gz CCRLMDKMFLHINA-UHFFFAOYSA-N -1 0 333.413 3.935 20 0 EHADRM C[C@H](COc1cccc(F)c1)NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738937812 602604098 /nfs/dbraw/zinc/60/40/98/602604098.db2.gz DKXDZVVKEOCCFB-LLVKDONJSA-N -1 0 347.346 3.505 20 0 EHADRM C[C@H]1CCC[C@@H](NC(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])C1 ZINC000739098245 602605748 /nfs/dbraw/zinc/60/57/48/602605748.db2.gz VKRRNSISZGFSHN-GXTWGEPZSA-N -1 0 331.416 3.817 20 0 EHADRM C[C@H](NC(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2)c1ccccc1 ZINC000738992034 602609854 /nfs/dbraw/zinc/60/98/54/602609854.db2.gz WBSQJYPJFVSYJD-ZDUSSCGKSA-N -1 0 339.395 3.605 20 0 EHADRM O=C([O-])Nc1ccccc1NS(=O)(=O)C1=Cc2ccccc2CC1 ZINC000740716137 602653750 /nfs/dbraw/zinc/65/37/50/602653750.db2.gz TWRBGDLNWJFFNU-UHFFFAOYSA-N -1 0 344.392 3.506 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)Cc2ccc(NC(=O)[O-])cc2)c(C)c1 ZINC000740123105 602673481 /nfs/dbraw/zinc/67/34/81/602673481.db2.gz ZOYIWJBYURENAW-HNNXBMFYSA-N -1 0 340.423 3.683 20 0 EHADRM O=C([O-])N1CCCC[C@H]1CNc1nc(C(F)F)nc2ccccc21 ZINC000740515503 602679156 /nfs/dbraw/zinc/67/91/56/602679156.db2.gz GWSZCQFRMVYKEF-JTQLQIEISA-N -1 0 336.342 3.512 20 0 EHADRM COc1cc(NC(=O)[C@H](C)c2ccccc2F)ccc1NC(=O)[O-] ZINC000739869295 602685422 /nfs/dbraw/zinc/68/54/22/602685422.db2.gz WOBPSZLKCJNCGK-SNVBAGLBSA-N -1 0 332.331 3.666 20 0 EHADRM C[C@H](NC(=O)[O-])C1CCN(C(=O)Nc2cccc3ccccc32)CC1 ZINC000739008527 602688639 /nfs/dbraw/zinc/68/86/39/602688639.db2.gz MLHCSTDKLZNUSG-ZDUSSCGKSA-N -1 0 341.411 3.740 20 0 EHADRM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccccc2NC(=O)[O-])c1 ZINC000739947898 602733141 /nfs/dbraw/zinc/73/31/41/602733141.db2.gz FATMWQRMMVLTJP-UONOGXRCSA-N -1 0 326.352 3.527 20 0 EHADRM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739103408 602750630 /nfs/dbraw/zinc/75/06/30/602750630.db2.gz ZZXZJTOWECJEDV-CXAGYDPISA-N -1 0 346.427 3.651 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)CCCCCCNC(=O)[O-] ZINC000739080036 602764837 /nfs/dbraw/zinc/76/48/37/602764837.db2.gz BCLGKPMHZQURQQ-DOTOQJQBSA-N -1 0 332.444 3.609 20 0 EHADRM C[C@@H](NC(=O)CCC(C)(C)NC(=O)[O-])c1ccc2ccccc2c1 ZINC000738962497 602785366 /nfs/dbraw/zinc/78/53/66/602785366.db2.gz YDIYULKQQYRATC-CYBMUJFWSA-N -1 0 328.412 3.843 20 0 EHADRM CC(C)C(=O)Nc1cccc(OC(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000736347846 602798073 /nfs/dbraw/zinc/79/80/73/602798073.db2.gz OOOLZERVEXEKSC-UHFFFAOYSA-N -1 0 342.351 3.590 20 0 EHADRM CCN1CCc2ccc(NC(=O)c3ccc(C)c(NC(=O)[O-])c3)cc21 ZINC000827237240 602838767 /nfs/dbraw/zinc/83/87/67/602838767.db2.gz QBABEJGZIDDQHE-UHFFFAOYSA-N -1 0 339.395 3.720 20 0 EHADRM CC(C)OCc1cccc(NC(=O)c2ccc(NC(=O)[O-])cc2O)c1 ZINC000738863218 602853979 /nfs/dbraw/zinc/85/39/79/602853979.db2.gz LETQNUXHIVFHDL-UHFFFAOYSA-N -1 0 344.367 3.659 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)cc1 ZINC000738662489 602878471 /nfs/dbraw/zinc/87/84/71/602878471.db2.gz ADHZTFKDBMVLCI-NEPJUHHUSA-N -1 0 332.306 3.797 20 0 EHADRM C[C@@H](NC(=O)[C@H](C)[C@@H](NC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000823714660 602881375 /nfs/dbraw/zinc/88/13/75/602881375.db2.gz QMODDHKZTCUKMY-CKEIUWERSA-N -1 0 326.396 3.509 20 0 EHADRM CCCCN(C)c1ccc(NC(=O)c2ccc(CNC(=O)[O-])o2)cc1 ZINC000826829621 602881833 /nfs/dbraw/zinc/88/18/33/602881833.db2.gz DLMOOZGSQAILLF-UHFFFAOYSA-N -1 0 345.399 3.536 20 0 EHADRM C[C@H](CC(=O)Nc1nc(-c2cc3ccccc3o2)cs1)NC(=O)[O-] ZINC000824711227 602893096 /nfs/dbraw/zinc/89/30/96/602893096.db2.gz SDCFYFPSYJWKEF-SECBINFHSA-N -1 0 345.380 3.541 20 0 EHADRM Cc1cc(C)cc(CCNC(=O)Nc2cc(NC(=O)[O-])ccc2F)c1 ZINC000740065731 602925194 /nfs/dbraw/zinc/92/51/94/602925194.db2.gz FPFKDOUIBLUFMS-UHFFFAOYSA-N -1 0 345.374 3.897 20 0 EHADRM CC(C)(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)NC(=O)[O-] ZINC000738747668 602929523 /nfs/dbraw/zinc/92/95/23/602929523.db2.gz QTVXUYIMJXDDMN-UHFFFAOYSA-N -1 0 343.305 3.734 20 0 EHADRM Cc1ccc(C(=O)N(C)[C@@H]2CCc3ccccc3C2)cc1NC(=O)[O-] ZINC000830182170 602938968 /nfs/dbraw/zinc/93/89/68/602938968.db2.gz SXBQAMHSKQHPOC-QGZVFWFLSA-N -1 0 338.407 3.714 20 0 EHADRM Cc1cc(C)c(NC(=O)N2C[C@H](C)N(C(=O)[O-])[C@@H](C)C2)c(Cl)c1 ZINC000740064842 602939792 /nfs/dbraw/zinc/93/97/92/602939792.db2.gz BOXIDZUZPGUJIO-RYUDHWBXSA-N -1 0 339.823 3.561 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])cc1Cl ZINC000738866147 602951803 /nfs/dbraw/zinc/95/18/03/602951803.db2.gz YCBXXMPWQMMOBB-DGCLKSJQSA-N -1 0 340.807 3.502 20 0 EHADRM CC(C)(CC(=O)Nc1cccc(COc2ccccc2)c1)NC(=O)[O-] ZINC000738734431 602965428 /nfs/dbraw/zinc/96/54/28/602965428.db2.gz HRIQYQCEPVLRHW-UHFFFAOYSA-N -1 0 342.395 3.640 20 0 EHADRM Cc1ccc(C(=O)NC[C@@H](C)Cc2cccs2)cc1NC(=O)[O-] ZINC000830211609 602996476 /nfs/dbraw/zinc/99/64/76/602996476.db2.gz VSAIAZFIHXNEDD-NSHDSACASA-N -1 0 332.425 3.755 20 0 EHADRM CC[C@H]1CCCN(C(=O)Nc2ccc(OC)c(NC(=O)[O-])c2)CC1 ZINC000739273627 602997400 /nfs/dbraw/zinc/99/74/00/602997400.db2.gz UNTIHSHMORHRKI-LBPRGKRZSA-N -1 0 335.404 3.829 20 0 EHADRM Cc1csc([C@@H](NC(=O)c2ccc(C)c(NC(=O)[O-])c2)C2CC2)n1 ZINC000830660238 602997737 /nfs/dbraw/zinc/99/77/37/602997737.db2.gz CEOKEUVMRRWVGK-AWEZNQCLSA-N -1 0 345.424 3.731 20 0 EHADRM C[C@@H]1C[C@H](CC(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])CC(C)(C)C1 ZINC000739079923 603003360 /nfs/dbraw/zinc/00/33/60/603003360.db2.gz AIXANHUQXJBIEI-YZDRTPDPSA-N -1 0 336.476 3.629 20 0 EHADRM CC[C@@H]1CN(C(=O)c2ccc(C)c(NC(=O)[O-])c2)c2ccccc2O1 ZINC000826688748 603011273 /nfs/dbraw/zinc/01/12/73/603011273.db2.gz AJOHMDBBRTUZJO-CQSZACIVSA-N -1 0 340.379 3.903 20 0 EHADRM Cc1ccc2c(CNc3cc(NC(=O)[O-])ccc3F)cc(=O)oc2c1 ZINC000740153434 603020156 /nfs/dbraw/zinc/02/01/56/603020156.db2.gz LALHZMNWBQWYOF-UHFFFAOYSA-N -1 0 342.326 3.943 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000736343291 603029987 /nfs/dbraw/zinc/02/99/87/603029987.db2.gz CQVBJYSVSYNIHK-AWEZNQCLSA-N -1 0 348.468 3.617 20 0 EHADRM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CC(C)(C)NC(=O)[O-] ZINC000739266243 603033309 /nfs/dbraw/zinc/03/33/09/603033309.db2.gz UNIXVGIWOUVILJ-JKSUJKDBSA-N -1 0 332.444 3.608 20 0 EHADRM Cc1cc([C@H]2CCCN2C(=O)Nc2cc(NC(=O)[O-])ccc2F)on1 ZINC000740078610 603038052 /nfs/dbraw/zinc/03/80/52/603038052.db2.gz DURCOATUGWNERB-CYBMUJFWSA-N -1 0 348.334 3.581 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N[C@H]2CCc3ccc(F)cc32)c1 ZINC000740708108 603038759 /nfs/dbraw/zinc/03/87/59/603038759.db2.gz YULBUXPXVCZCHP-AWEZNQCLSA-N -1 0 347.321 3.864 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)cc1 ZINC000827901080 603039600 /nfs/dbraw/zinc/03/96/00/603039600.db2.gz UPVIVFWWDBHTFY-KGLIPLIRSA-N -1 0 347.317 3.788 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000830709484 603041591 /nfs/dbraw/zinc/04/15/91/603041591.db2.gz JVXVHBXGXYHHOM-UHFFFAOYSA-N -1 0 334.397 3.908 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N(Cc2ccncc2)C2CC2)c1 ZINC000740707793 603042281 /nfs/dbraw/zinc/04/22/81/603042281.db2.gz VRYVQCRIMONEAE-UHFFFAOYSA-N -1 0 344.346 3.507 20 0 EHADRM Cc1cccc(CN(C)C(=O)Nc2cc(NC(=O)[O-])ccc2F)c1 ZINC000740168526 603042626 /nfs/dbraw/zinc/04/26/26/603042626.db2.gz BPMXFOFNAVJUQA-UHFFFAOYSA-N -1 0 331.347 3.888 20 0 EHADRM Cc1nc([C@H](C)NC(=O)Nc2cc(NC(=O)[O-])ccc2F)cs1 ZINC000740220457 603043308 /nfs/dbraw/zinc/04/33/08/603043308.db2.gz YUVSBIATBPJEPR-ZETCQYMHSA-N -1 0 338.364 3.563 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)cc1 ZINC000827898982 603047737 /nfs/dbraw/zinc/04/77/37/603047737.db2.gz BUOLMRGVEPQTMS-UKRRQHHQSA-N -1 0 347.317 3.788 20 0 EHADRM Cc1ccc(OCCCC(=O)Oc2ccc(N(C)C(=O)[O-])cc2)cc1 ZINC000830407723 603050984 /nfs/dbraw/zinc/05/09/84/603050984.db2.gz STZCKTZRAACLAS-UHFFFAOYSA-N -1 0 343.379 3.874 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000739016581 603102291 /nfs/dbraw/zinc/10/22/91/603102291.db2.gz JCBYITNRCKGSNY-LLVKDONJSA-N -1 0 347.802 3.719 20 0 EHADRM CCc1ccc(NC(=O)CNc2ccc([C@H](C)NC(=O)[O-])cc2)cc1 ZINC000739541634 603102373 /nfs/dbraw/zinc/10/23/73/603102373.db2.gz IUDHAKDPUZRAJZ-ZDUSSCGKSA-N -1 0 341.411 3.628 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)N1CCC([C@@H](C)NC(=O)[O-])CC1 ZINC000739258948 603112138 /nfs/dbraw/zinc/11/21/38/603112138.db2.gz YISJAROGWLPMTE-GDBMZVCRSA-N -1 0 338.492 3.878 20 0 EHADRM CC[C@@H]1CCCCCN1C(=O)Nc1ccc(NC(=O)[O-])c(OC)c1 ZINC000739273644 603136722 /nfs/dbraw/zinc/13/67/22/603136722.db2.gz UREKBNZFRSVKNC-CYBMUJFWSA-N -1 0 335.404 3.972 20 0 EHADRM C[C@H](NC(=O)COc1ccc(NC(=O)[O-])cc1)c1ccccc1Cl ZINC000737681719 603156012 /nfs/dbraw/zinc/15/60/12/603156012.db2.gz AADUAQLFLOPDQS-NSHDSACASA-N -1 0 348.786 3.686 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)[O-])cc1)C(=O)NCc1ccc(Cl)cc1 ZINC000825617511 603157194 /nfs/dbraw/zinc/15/71/94/603157194.db2.gz QHZITMQSIFOYJD-NSHDSACASA-N -1 0 348.786 3.514 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)Nc2cc(Cl)cc3cccnc32)C1 ZINC000740572262 603164027 /nfs/dbraw/zinc/16/40/27/603164027.db2.gz KVIWGGLCBGIRHI-YPMHNXCESA-N -1 0 347.802 3.653 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C)C(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739060385 603165501 /nfs/dbraw/zinc/16/55/01/603165501.db2.gz UHNLEBDGOBKSFV-AGIUHOORSA-N -1 0 338.835 3.686 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2ccc3ccccc3n2)cc1 ZINC000825442475 603171608 /nfs/dbraw/zinc/17/16/08/603171608.db2.gz IFLDCIBKCZUDIM-GFCCVEGCSA-N -1 0 335.363 3.816 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2cc3ccccc3n2C)cc1 ZINC000825442563 603173674 /nfs/dbraw/zinc/17/36/74/603173674.db2.gz KFIIYFDZFZSMMQ-GFCCVEGCSA-N -1 0 337.379 3.759 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)CSc2ccc(F)cc2)cc1 ZINC000825423538 603174826 /nfs/dbraw/zinc/17/48/26/603174826.db2.gz QWRQGGUEQQWLGM-LLVKDONJSA-N -1 0 348.399 3.885 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2ccnc3ccccc32)cc1 ZINC000825449685 603175168 /nfs/dbraw/zinc/17/51/68/603175168.db2.gz WSHVYVMNASFADM-GFCCVEGCSA-N -1 0 335.363 3.816 20 0 EHADRM O=C([O-])N1CCc2c(cccc2NC(=O)c2cccc(C(F)F)c2)C1 ZINC000740474494 603175135 /nfs/dbraw/zinc/17/51/35/603175135.db2.gz TXUZWLKIUMMMTH-UHFFFAOYSA-N -1 0 346.333 3.913 20 0 EHADRM CN(C(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1)c1cccc2ccccc21 ZINC000739572242 603180194 /nfs/dbraw/zinc/18/01/94/603180194.db2.gz DDINCWUYRNYLHY-LSDHHAIUSA-N -1 0 326.396 3.629 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)cc1C ZINC000740116594 603182050 /nfs/dbraw/zinc/18/20/50/603182050.db2.gz AVJUVTLYYISNFK-SQNIBIBYSA-N -1 0 344.455 3.793 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000825015566 603182149 /nfs/dbraw/zinc/18/21/49/603182149.db2.gz HFFIVJSNZZCCCD-STQMWFEESA-N -1 0 344.386 3.972 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)Cc2cccc(Cl)c2)cc1 ZINC000825423534 603191354 /nfs/dbraw/zinc/19/13/54/603191354.db2.gz QSUIUMREFIWZGV-LLVKDONJSA-N -1 0 332.787 3.850 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000829173821 603213705 /nfs/dbraw/zinc/21/37/05/603213705.db2.gz MTRMRJHHCOYRAD-NXEZZACHSA-N -1 0 340.807 3.557 20 0 EHADRM CCSCc1cccc(NC(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)c1 ZINC000739515927 603218019 /nfs/dbraw/zinc/21/80/19/603218019.db2.gz CSWRRYARKPBNBI-HIFRSBDPSA-N -1 0 336.457 3.705 20 0 EHADRM CN(C(=O)c1ccc(NC(=O)[O-])cc1Cl)c1c(F)cccc1F ZINC000739593644 603229179 /nfs/dbraw/zinc/22/91/79/603229179.db2.gz LMNXSGMFINQFCA-UHFFFAOYSA-N -1 0 340.713 3.985 20 0 EHADRM C[C@H](CC(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1)NC(=O)[O-] ZINC000824605960 603234208 /nfs/dbraw/zinc/23/42/08/603234208.db2.gz MTRWJUDFIBDQTL-ZIAGYGMSSA-N -1 0 326.396 3.577 20 0 EHADRM Cc1cc(SC(C)(C)C)ccc1NC(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000740094044 603238474 /nfs/dbraw/zinc/23/84/74/603238474.db2.gz NUHPVYZQFKDLMW-LBPRGKRZSA-N -1 0 336.457 3.824 20 0 EHADRM C[C@@H](Nc1cccc2c1CCN(C(=O)[O-])C2)c1nc(C(C)(C)C)no1 ZINC000739035231 603243607 /nfs/dbraw/zinc/24/36/07/603243607.db2.gz GQOWJTDHRZSHTM-LLVKDONJSA-N -1 0 344.415 3.576 20 0 EHADRM CSc1cccc(NC(=O)NC[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000829772385 603245481 /nfs/dbraw/zinc/24/54/81/603245481.db2.gz VMZKZNNBWIFGHJ-OAHLLOKOSA-N -1 0 345.424 3.539 20 0 EHADRM Cc1cc(C)c(NC(=O)N[C@H]2CCCC[C@@H]2CNC(=O)[O-])c(C)c1 ZINC000829990646 603245678 /nfs/dbraw/zinc/24/56/78/603245678.db2.gz DQNBNOIJMWLLSN-CABCVRRESA-N -1 0 333.432 3.560 20 0 EHADRM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2CCCCCCC2)C1 ZINC000740347684 603253456 /nfs/dbraw/zinc/25/34/56/603253456.db2.gz PSGQAZUPPVIKJM-IAGOWNOFSA-N -1 0 336.476 3.728 20 0 EHADRM O=C([O-])N[C@@H](C(=O)Nc1ccc(F)c(F)c1)c1cccc(Cl)c1 ZINC000740533573 603263565 /nfs/dbraw/zinc/26/35/65/603263565.db2.gz QNORURGYIYRUDO-CYBMUJFWSA-N -1 0 340.713 3.566 20 0 EHADRM Cc1nc(C(C)(C)NC(=O)c2cccc(NC(=O)[O-])c2)sc1C ZINC000738840166 603294428 /nfs/dbraw/zinc/29/44/28/603294428.db2.gz ARXQXGDOKFLTHT-UHFFFAOYSA-N -1 0 333.413 3.515 20 0 EHADRM Cc1cc(CNC(=O)[O-])ccc1N(C(=O)C[C@H]1C=CCC1)C1CC1 ZINC000740076983 603297151 /nfs/dbraw/zinc/29/71/51/603297151.db2.gz RBSMWUDDVJMKSB-AWEZNQCLSA-N -1 0 328.412 3.614 20 0 EHADRM COc1ccc(NC(=O)[C@@H](NC(=O)[O-])c2cccc(Cl)c2)c(C)c1 ZINC000739916140 603297902 /nfs/dbraw/zinc/29/79/02/603297902.db2.gz KVDWNYLZJSTQSG-HNNXBMFYSA-N -1 0 348.786 3.604 20 0 EHADRM Cc1cccc(CCC(=O)N2CCCN(C(=O)[O-])c3ccccc32)c1 ZINC000740165517 603298351 /nfs/dbraw/zinc/29/83/51/603298351.db2.gz IBPYUMPITHXYLR-UHFFFAOYSA-N -1 0 338.407 3.849 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000829172774 603301733 /nfs/dbraw/zinc/30/17/33/603301733.db2.gz BJTDNHCAGWIWFK-ZJUUUORDSA-N -1 0 340.807 3.747 20 0 EHADRM CCN(C(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000826969640 603309429 /nfs/dbraw/zinc/30/94/29/603309429.db2.gz HKAVUNXWTDSNCK-YOEHRIQHSA-N -1 0 326.396 3.685 20 0 EHADRM C[C@H](CNC(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccc(F)cc1 ZINC000738921084 603321863 /nfs/dbraw/zinc/32/18/63/603321863.db2.gz RFDKGKQCIPCACA-GFCCVEGCSA-N -1 0 345.374 3.519 20 0 EHADRM Cc1ccc(CC[C@@H](C)NC(=O)Nc2cc(NC(=O)[O-])ccc2F)o1 ZINC000830297258 603328732 /nfs/dbraw/zinc/32/87/32/603328732.db2.gz ZPWVSPLUAJADMA-SNVBAGLBSA-N -1 0 349.362 3.960 20 0 EHADRM C[C@H](C1CC1)N(C(=O)Nc1ccccc1CN(C)C(=O)[O-])C1CC1 ZINC000824543523 603329552 /nfs/dbraw/zinc/32/95/52/603329552.db2.gz JGLCOPKQZZHIOF-GFCCVEGCSA-N -1 0 331.416 3.591 20 0 EHADRM C[C@@H]1CCC[C@@H](N(C)C(=O)Nc2ccccc2CN(C)C(=O)[O-])C1 ZINC000739096375 603333384 /nfs/dbraw/zinc/33/33/84/603333384.db2.gz YXWNIFVZMSGMPY-UKRRQHHQSA-N -1 0 333.432 3.839 20 0 EHADRM CN(Cc1ccsc1)C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000739714757 603334204 /nfs/dbraw/zinc/33/42/04/603334204.db2.gz QGGBLGMBECHDQE-UHFFFAOYSA-N -1 0 333.413 3.522 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1ccc(CNC(=O)[O-])o1)c1ccc(F)cc1 ZINC000823760791 603340664 /nfs/dbraw/zinc/34/06/64/603340664.db2.gz VSRQFLQYZNSZEY-OAHLLOKOSA-N -1 0 348.374 3.704 20 0 EHADRM Cc1ccc(CN(C(=O)c2ccc(C)c(NC(=O)[O-])c2)C2CC2)o1 ZINC000830303211 603353176 /nfs/dbraw/zinc/35/31/76/603353176.db2.gz XFVFUTSWXIYBBY-UHFFFAOYSA-N -1 0 328.368 3.791 20 0 EHADRM CCc1ccc(CNC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)s1 ZINC000827583820 603364586 /nfs/dbraw/zinc/36/45/86/603364586.db2.gz NCHGZFIUYZWREJ-NSHDSACASA-N -1 0 347.440 3.961 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1)c1nccs1 ZINC000826613479 603371151 /nfs/dbraw/zinc/37/11/51/603371151.db2.gz KCFGMYSQUDTBHA-GWCFXTLKSA-N -1 0 348.428 3.745 20 0 EHADRM CC(C)c1ccc(NC(=S)N[C@H]2CCC[C@@H]2CNC(=O)[O-])cc1 ZINC000738875302 603374687 /nfs/dbraw/zinc/37/46/87/603374687.db2.gz FWHYWFACJSZHIJ-HIFRSBDPSA-N -1 0 335.473 3.533 20 0 EHADRM CSCC[C@@H](C)N(C)C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000829721890 603375296 /nfs/dbraw/zinc/37/52/96/603375296.db2.gz GIZNJLPGPBJCJA-NEPJUHHUSA-N -1 0 339.461 3.621 20 0 EHADRM O=C([O-])N[C@H](CNC(=S)Nc1ccc(Cl)cc1)c1ccccc1 ZINC000740533438 603379754 /nfs/dbraw/zinc/37/97/54/603379754.db2.gz IDKRKTIMHXWMBX-CQSZACIVSA-N -1 0 349.843 3.635 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)C[C@H]2OCCc3ccccc32)c1 ZINC000740707432 603380467 /nfs/dbraw/zinc/38/04/67/603380467.db2.gz PYKVDLNRWUINDV-MRXNPFEDSA-N -1 0 344.342 3.558 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N2CCC[C@H]2c2ccco2)cc1 ZINC000825427225 603384027 /nfs/dbraw/zinc/38/40/27/603384027.db2.gz RNUGJARNYCOHPG-WFASDCNBSA-N -1 0 343.383 3.977 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1ccc(CNC(=O)[O-])o1)c1cccs1 ZINC000824219244 603384676 /nfs/dbraw/zinc/38/46/76/603384676.db2.gz SHBQFCRJAPZZOE-GFCCVEGCSA-N -1 0 336.413 3.626 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N2CCC[C@H]2C2CCC2)cc1 ZINC000825427411 603384943 /nfs/dbraw/zinc/38/49/43/603384943.db2.gz VDLYAFVNILPEPV-WBMJQRKESA-N -1 0 331.416 3.812 20 0 EHADRM Cc1ccc(CN(C(=O)C2CCC(NC(=O)[O-])CC2)C2CC2)cc1C ZINC000740120549 603385385 /nfs/dbraw/zinc/38/53/85/603385385.db2.gz BBSLMZULQDABMI-UHFFFAOYSA-N -1 0 344.455 3.621 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCSC[C@H]2c2ccccc2)cc1 ZINC000738662820 603398692 /nfs/dbraw/zinc/39/86/92/603398692.db2.gz WUFAOTZUXIQVJA-INIZCTEOSA-N -1 0 342.420 3.707 20 0 EHADRM C[C@H](Cc1nc(-c2cccc(Oc3ccccc3)c2)no1)NC(=O)[O-] ZINC000825030750 603422875 /nfs/dbraw/zinc/42/28/75/603422875.db2.gz OGGFMOSYZKGOIV-GFCCVEGCSA-N -1 0 339.351 3.728 20 0 EHADRM CN(Cc1ccccc1NC(=O)c1cccc(F)c1Cl)C(=O)[O-] ZINC000828399558 603423574 /nfs/dbraw/zinc/42/35/74/603423574.db2.gz AWVBWKXSVXAOBF-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM CCN(Cc1cccc(NC(=O)C[C@H](C)c2cccnc2)c1)C(=O)[O-] ZINC000739440697 603424100 /nfs/dbraw/zinc/42/41/00/603424100.db2.gz FGXAPCWLYBROQZ-AWEZNQCLSA-N -1 0 341.411 3.714 20 0 EHADRM C[C@H]1CCC[C@H](OCC(=O)N2CCCN(C(=O)[O-])c3ccccc32)C1 ZINC000739094943 603430717 /nfs/dbraw/zinc/43/07/17/603430717.db2.gz JABJRCBMFCMGBD-GJZGRUSLSA-N -1 0 346.427 3.503 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)Nc2ccc(Nc3ccccc3)cc2)C1 ZINC000832288789 603435997 /nfs/dbraw/zinc/43/59/97/603435997.db2.gz WETSAWMUSUAOSP-SUMWQHHRSA-N -1 0 339.395 3.805 20 0 EHADRM Cc1c(C(=O)NCCc2ccc(NC(=O)[O-])cc2)cnc2ccccc12 ZINC000829855718 603455876 /nfs/dbraw/zinc/45/58/76/603455876.db2.gz ZPAPHHADBSPXSN-UHFFFAOYSA-N -1 0 349.390 3.606 20 0 EHADRM CSc1ccc(O[C@@H](C)C(=O)Oc2cccc(NC(=O)[O-])c2)cc1 ZINC000738145693 603474504 /nfs/dbraw/zinc/47/45/04/603474504.db2.gz LEKNSACJAAEBPJ-NSHDSACASA-N -1 0 347.392 3.871 20 0 EHADRM Cc1c(F)cccc1NC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000829871752 603474947 /nfs/dbraw/zinc/47/49/47/603474947.db2.gz KDWDJDFKUABZBK-UHFFFAOYSA-N -1 0 331.347 3.588 20 0 EHADRM CCC1(CC)CCN(C(=O)Nc2cccc3c2CCN3C(=O)[O-])C1 ZINC000826649262 603475487 /nfs/dbraw/zinc/47/54/87/603475487.db2.gz BHMWZHLSWIPYIM-UHFFFAOYSA-N -1 0 331.416 3.771 20 0 EHADRM COc1cc(NC(=O)C/C=C\c2ccc(F)cc2)ccc1NC(=O)[O-] ZINC000829154235 603478644 /nfs/dbraw/zinc/47/86/44/603478644.db2.gz WHOSNLUAKCHGGG-IHWYPQMZSA-N -1 0 344.342 3.966 20 0 EHADRM CC(C)c1ccccc1OCC(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000824476616 603481108 /nfs/dbraw/zinc/48/11/08/603481108.db2.gz OUFJVCKUWOBVPL-UHFFFAOYSA-N -1 0 329.352 3.884 20 0 EHADRM C[C@@H](NC(=O)c1c(Cl)cccc1Cl)[C@H]1CCCN(C(=O)[O-])C1 ZINC000825460249 603482610 /nfs/dbraw/zinc/48/26/10/603482610.db2.gz ZQEISVVKPHDBOH-ZJUUUORDSA-N -1 0 345.226 3.502 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)N2CC3(CCCC3)c3ccccc32)o1 ZINC000832677848 603524825 /nfs/dbraw/zinc/52/48/25/603524825.db2.gz GMMGNTQJXRVSQF-UHFFFAOYSA-N -1 0 340.379 3.519 20 0 EHADRM Cc1csc(N(C(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)c2ccccc2)n1 ZINC000830666230 603527348 /nfs/dbraw/zinc/52/73/48/603527348.db2.gz CVPLSTGHSZGPOC-STQMWFEESA-N -1 0 345.424 3.553 20 0 EHADRM CCOc1c(F)cccc1C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000827407865 603532727 /nfs/dbraw/zinc/53/27/27/603532727.db2.gz BALDGYGZEDMHHQ-UHFFFAOYSA-N -1 0 346.358 3.587 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N1CCCCC[C@H]1C ZINC000829175045 603538564 /nfs/dbraw/zinc/53/85/64/603538564.db2.gz XHFVRDQSJIWUJY-SNVBAGLBSA-N -1 0 340.807 3.843 20 0 EHADRM C[C@H](c1ncc(C(C)(C)C)o1)N1CCC[C@H]([C@@H]2CCCN2C(=O)[O-])C1 ZINC000825644359 603538700 /nfs/dbraw/zinc/53/87/00/603538700.db2.gz BTXQWPBWGNVLLV-ILXRZTDVSA-N -1 0 349.475 3.888 20 0 EHADRM O=C([O-])N1CC(CC(=O)Nc2ccccc2Oc2cccc(F)c2)C1 ZINC000831370773 603565622 /nfs/dbraw/zinc/56/56/22/603565622.db2.gz RNIXKIPEYRLVKR-UHFFFAOYSA-N -1 0 344.342 3.556 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)c1csc2ccccc21 ZINC000825082861 603575255 /nfs/dbraw/zinc/57/52/55/603575255.db2.gz OHLXTRCBLZMENW-QJPTWQEYSA-N -1 0 332.425 3.515 20 0 EHADRM Cc1csc(C2(NC(=O)Nc3ccc(NC(=O)[O-])cc3)CCC2)n1 ZINC000830660299 603586613 /nfs/dbraw/zinc/58/66/13/603586613.db2.gz DHBYABKIZKLUFW-UHFFFAOYSA-N -1 0 346.412 3.742 20 0 EHADRM CC(C)C[C@@H]1CCN(C(=O)Nc2ccccc2CN(C)C(=O)[O-])C1 ZINC000824231534 603598098 /nfs/dbraw/zinc/59/80/98/603598098.db2.gz JSAOHFAWIJABMQ-AWEZNQCLSA-N -1 0 333.432 3.696 20 0 EHADRM CC[C@H]1C[C@@H](C)CN1C(=O)Nc1cccc(CN(CC)C(=O)[O-])c1 ZINC000826661794 603598716 /nfs/dbraw/zinc/59/87/16/603598716.db2.gz SYNZAKBRISSIPD-CJNGLKHVSA-N -1 0 333.432 3.839 20 0 EHADRM CCN(CC1CCN(C(=O)Nc2ccccc2Cl)CC1)C(=O)[O-] ZINC000827079910 603606460 /nfs/dbraw/zinc/60/64/60/603606460.db2.gz KOWJNUUDMADUTH-UHFFFAOYSA-N -1 0 339.823 3.584 20 0 EHADRM Cc1cccc(NC(=O)NC[C@H](NC(=O)[O-])c2ccccc2)c1Cl ZINC000830517303 603609275 /nfs/dbraw/zinc/60/92/75/603609275.db2.gz VSIZRZROSSWSKD-AWEZNQCLSA-N -1 0 347.802 3.779 20 0 EHADRM Cc1cccc([C@@H](NC(=O)N2CCC(NC(=O)[O-])CC2)C(C)(C)C)c1 ZINC000830470890 603683548 /nfs/dbraw/zinc/68/35/48/603683548.db2.gz BXKJNARYBNDBCD-MRXNPFEDSA-N -1 0 347.459 3.524 20 0 EHADRM CSc1ccc(F)cc1CNC(=O)c1cccc(NC(=O)[O-])c1 ZINC000829767021 603734344 /nfs/dbraw/zinc/73/43/44/603734344.db2.gz XMQUDKPZXYSPDM-UHFFFAOYSA-N -1 0 334.372 3.568 20 0 EHADRM CC(C)[C@H](NC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000824129020 603749017 /nfs/dbraw/zinc/74/90/17/603749017.db2.gz KNKJGKZPFGCJLQ-YUELXQCFSA-N -1 0 338.835 3.590 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)N(CC2CCC2)CC(F)(F)F)cc1 ZINC000832839986 603757893 /nfs/dbraw/zinc/75/78/93/603757893.db2.gz BGSTVXMTMXSJJS-UHFFFAOYSA-N -1 0 344.333 3.510 20 0 EHADRM Cc1c(F)cccc1NC(=O)[C@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000829871498 603776528 /nfs/dbraw/zinc/77/65/28/603776528.db2.gz BEDJLJWNDAQQOY-MLGOLLRUSA-N -1 0 330.359 3.718 20 0 EHADRM COc1ccc([C@H](C)Cc2nc([C@H](CC(C)C)NC(=O)[O-])no2)cc1 ZINC000829303312 603877791 /nfs/dbraw/zinc/87/77/91/603877791.db2.gz OHAGLWOBPNCTJZ-DOMZBBRYSA-N -1 0 347.415 3.779 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000829542991 603879889 /nfs/dbraw/zinc/87/98/89/603879889.db2.gz CCLHPYLZRWRIKR-LBPRGKRZSA-N -1 0 328.368 3.917 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)CC1CCN(C(=O)[O-])CC1 ZINC000830262365 603882631 /nfs/dbraw/zinc/88/26/31/603882631.db2.gz OTZCZBUOINQGPW-UHFFFAOYSA-N -1 0 344.333 3.732 20 0 EHADRM COc1cc(NC(=O)CCCc2csc(C)n2)ccc1NC(=O)[O-] ZINC000829154100 603886600 /nfs/dbraw/zinc/88/66/00/603886600.db2.gz VEOUXMFCAIXFGF-UHFFFAOYSA-N -1 0 349.412 3.511 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@H]1C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000832342461 603887052 /nfs/dbraw/zinc/88/70/52/603887052.db2.gz WRAWCJHJZGPNQG-OLZOCXBDSA-N -1 0 344.333 3.556 20 0 EHADRM O=C([O-])N1CCC[C@H]1CC(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000831340551 603897144 /nfs/dbraw/zinc/89/71/44/603897144.db2.gz XJGHTFAXELFXOZ-ZDUSSCGKSA-N -1 0 344.333 3.653 20 0 EHADRM C[C@H]1CN(C(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])[C@H]1c1ccccc1 ZINC000825976683 603934810 /nfs/dbraw/zinc/93/48/10/603934810.db2.gz XHPFHIZLKFICII-ANGJVUCCSA-N -1 0 342.439 3.517 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)Cc1c(F)cccc1Cl ZINC000831553437 603946639 /nfs/dbraw/zinc/94/66/39/603946639.db2.gz YOOQZFVRXPGFFH-UHFFFAOYSA-N -1 0 348.761 3.701 20 0 EHADRM Cc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1NC(=O)[O-] ZINC000830236913 603952847 /nfs/dbraw/zinc/95/28/47/603952847.db2.gz DKNOYHWZFHVGKJ-UHFFFAOYSA-N -1 0 347.754 3.778 20 0 EHADRM Cc1ccc(C(=O)O[C@@H](C)C(=O)c2ccc(F)cc2)cc1NC(=O)[O-] ZINC000830239368 603957791 /nfs/dbraw/zinc/95/77/91/603957791.db2.gz YTCLSHYYTQGSNU-NSHDSACASA-N -1 0 345.326 3.652 20 0 EHADRM Cc1cc(Cl)ccc1NC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000830049888 603969637 /nfs/dbraw/zinc/96/96/37/603969637.db2.gz COTMDQLBMGRCEQ-QXMXGUDHSA-N -1 0 336.819 3.898 20 0 EHADRM C[C@H](c1ccco1)N(C)C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000825644621 603983433 /nfs/dbraw/zinc/98/34/33/603983433.db2.gz HKAAUJQHVSSLLT-LLVKDONJSA-N -1 0 329.356 3.545 20 0 EHADRM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)cc1 ZINC000830281354 603989327 /nfs/dbraw/zinc/98/93/27/603989327.db2.gz FMZMGRXSQTUSFP-SPUZQDLCSA-N -1 0 344.455 3.731 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)O[C@@H]1C=CCCC1 ZINC000829191342 603996809 /nfs/dbraw/zinc/99/68/09/603996809.db2.gz FMEHCTRZIDUKPW-SECBINFHSA-N -1 0 325.748 3.704 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)/C=C\SCc2ccco2)cc1 ZINC000825418543 604043454 /nfs/dbraw/zinc/04/34/54/604043454.db2.gz USZAQUBJTMLCLL-VPUINMBXSA-N -1 0 346.408 3.994 20 0 EHADRM O=C([O-])NCc1cccc(OCc2ncc(-c3cccc(F)c3)o2)c1 ZINC000832729041 604049833 /nfs/dbraw/zinc/04/98/33/604049833.db2.gz ADLVNABWZGRQIQ-UHFFFAOYSA-N -1 0 342.326 3.827 20 0 EHADRM C[C@H](OC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC000825553521 604057509 /nfs/dbraw/zinc/05/75/09/604057509.db2.gz YFQUFQMMEBASAY-XHVZSJERSA-N -1 0 345.317 3.746 20 0 EHADRM C[C@H](OC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC000825553519 604057803 /nfs/dbraw/zinc/05/78/03/604057803.db2.gz YFQUFQMMEBASAY-UFGOTCBOSA-N -1 0 345.317 3.746 20 0 EHADRM Cc1cccc(CC2CN(C(=O)c3ccc(F)c(NC(=O)[O-])c3)C2)c1 ZINC000830492152 604093094 /nfs/dbraw/zinc/09/30/94/604093094.db2.gz GTLMWTCTCGCKBK-UHFFFAOYSA-N -1 0 342.370 3.539 20 0 EHADRM CCS[C@H]1CCC[C@@H](NC(=O)Nc2ccc(NC(=O)[O-])cc2)C1 ZINC000827495815 604125013 /nfs/dbraw/zinc/12/50/13/604125013.db2.gz NDRZGSLZPSEJNB-KGLIPLIRSA-N -1 0 337.445 3.962 20 0 EHADRM CCS[C@@H]1CCC[C@@H]1NC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000827503726 604127432 /nfs/dbraw/zinc/12/74/32/604127432.db2.gz LIHJEBUCOSJJIH-WCQYABFASA-N -1 0 341.408 3.711 20 0 EHADRM COc1ccc(NCc2noc(-c3cccs3)n2)cc1NC(=O)[O-] ZINC000829480320 604131040 /nfs/dbraw/zinc/13/10/40/604131040.db2.gz WGJKOAMRGNEGMR-UHFFFAOYSA-N -1 0 346.368 3.509 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)N3CCC[C@@H]4CCC[C@H]43)ccc21 ZINC000832018849 604138317 /nfs/dbraw/zinc/13/83/17/604138317.db2.gz RKANYOYEWHQDKW-XJKSGUPXSA-N -1 0 343.427 3.914 20 0 EHADRM CN(Cc1ccccc1NC(=O)[C@H]1C[C@@H]1Cc1ccccc1)C(=O)[O-] ZINC000828393255 604181284 /nfs/dbraw/zinc/18/12/84/604181284.db2.gz KGBOXUMMOHNERO-IRXDYDNUSA-N -1 0 338.407 3.614 20 0 EHADRM CN(Cc1ccccc1NC(=O)[C@H]1C[C@H]1Cc1ccccc1)C(=O)[O-] ZINC000828393256 604181319 /nfs/dbraw/zinc/18/13/19/604181319.db2.gz KGBOXUMMOHNERO-SJORKVTESA-N -1 0 338.407 3.614 20 0 EHADRM C[C@H](c1ccccc1)[C@H](C)NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000825457714 604210770 /nfs/dbraw/zinc/21/07/70/604210770.db2.gz ANVJRSASTLISDG-RYUDHWBXSA-N -1 0 330.359 3.838 20 0 EHADRM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000825236480 604232623 /nfs/dbraw/zinc/23/26/23/604232623.db2.gz NVJWIMHLMMAGPS-UWVGGRQHSA-N -1 0 345.226 3.502 20 0 EHADRM C[C@@]1(c2ccccc2)CCN(C(=O)Cc2ccc(NC(=O)[O-])cc2)C1 ZINC000825772123 604245050 /nfs/dbraw/zinc/24/50/50/604245050.db2.gz CIGXDBNJOREFPP-HXUWFJFHSA-N -1 0 338.407 3.509 20 0 EHADRM CC(C)(C(=O)NCCc1ccc(NC(=O)[O-])cc1)c1cccc(F)c1 ZINC000736223300 604248348 /nfs/dbraw/zinc/24/83/48/604248348.db2.gz ITPGISALSOOSRN-UHFFFAOYSA-N -1 0 344.386 3.552 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(CNC(=S)Nc2ccc(F)cc2)cc1 ZINC000825396701 604284285 /nfs/dbraw/zinc/28/42/85/604284285.db2.gz CKSNRGKBPBYHCJ-NSHDSACASA-N -1 0 347.415 3.641 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000323097314 604291991 /nfs/dbraw/zinc/29/19/91/604291991.db2.gz ZHCNALMGJMMKGY-GFCCVEGCSA-N -1 0 329.783 3.867 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])c(F)c2)[C@H](c2ccco2)C1 ZINC000828285746 604295763 /nfs/dbraw/zinc/29/57/63/604295763.db2.gz PSDOWSLPGYXNGI-NHYWBVRUSA-N -1 0 331.343 3.730 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)cc1F ZINC000833310327 604297176 /nfs/dbraw/zinc/29/71/76/604297176.db2.gz NHOJARJORFNHOC-SFHVURJKSA-N -1 0 339.366 3.816 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1nc2ccc(C)cc2s1 ZINC000391448587 604306017 /nfs/dbraw/zinc/30/60/17/604306017.db2.gz DJMJSXWIWIHTPS-UHFFFAOYSA-N -1 0 329.381 3.500 20 0 EHADRM Cc1ccccc1NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000832979194 604306551 /nfs/dbraw/zinc/30/65/51/604306551.db2.gz WJRIVBJQRULHDM-MRXNPFEDSA-N -1 0 326.396 3.969 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)NCCCCCCCC(=O)[O-] ZINC000828150756 604310963 /nfs/dbraw/zinc/31/09/63/604310963.db2.gz MVNSBQPIODWNRX-UHFFFAOYSA-N -1 0 330.428 3.940 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2c[nH]nc2-c2cccc(Cl)c2)c1 ZINC000833342721 604318337 /nfs/dbraw/zinc/31/83/37/604318337.db2.gz PAUWOQOHMKSUDV-UHFFFAOYSA-N -1 0 347.783 3.742 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)Nc2cccc(C(=O)[O-])c2C)n1 ZINC000832967519 604322750 /nfs/dbraw/zinc/32/27/50/604322750.db2.gz GQAPQNJBOUEJQC-KRWDZBQOSA-N -1 0 339.395 3.766 20 0 EHADRM Cc1cccc(C)c1CCNC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000832964462 604324497 /nfs/dbraw/zinc/32/44/97/604324497.db2.gz KATKTPKOXPJTSC-UHFFFAOYSA-N -1 0 327.384 3.758 20 0 EHADRM CCC1(CC)[C@H](N(C)C(=O)Nc2cccc(NC(=O)[O-])c2)C[C@@H]1OC ZINC000829055290 604325120 /nfs/dbraw/zinc/32/51/20/604325120.db2.gz FWPVPXXOBURMRB-CABCVRRESA-N -1 0 349.431 3.834 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N[C@@H]1CCCC(F)(F)C1)C(=O)[O-] ZINC000630296232 604348495 /nfs/dbraw/zinc/34/84/95/604348495.db2.gz ZVGRQBKOPOQLJY-WDEREUQCSA-N -1 0 343.395 3.560 20 0 EHADRM O=C([O-])CCC(=O)NCc1ccc(-c2ccc(Cl)cc2)cc1F ZINC000338200352 604369492 /nfs/dbraw/zinc/36/94/92/604369492.db2.gz RSHQCQIBSACWMQ-UHFFFAOYSA-N -1 0 335.762 3.627 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)CSc1ccccc1)c1ccccc1 ZINC000826089483 604377977 /nfs/dbraw/zinc/37/79/77/604377977.db2.gz MNNMFODRRLDEKD-QGZVFWFLSA-N -1 0 343.448 3.747 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)C=C(C1CC1)C1CC1)c1ccccc1 ZINC000826088812 604382449 /nfs/dbraw/zinc/38/24/49/604382449.db2.gz BZWJYBAWGZYGLU-GOSISDBHSA-N -1 0 327.424 3.701 20 0 EHADRM Cc1cc([C@H](C)N(C)CC(=O)Nc2c(C)cccc2C)oc1C(=O)[O-] ZINC000832871658 604382753 /nfs/dbraw/zinc/38/27/53/604382753.db2.gz VFTMEOQIEFLOJG-AWEZNQCLSA-N -1 0 344.411 3.535 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccccc1 ZINC000826090508 604384539 /nfs/dbraw/zinc/38/45/39/604384539.db2.gz SSNJAENUOGGBTC-QGZVFWFLSA-N -1 0 345.826 3.851 20 0 EHADRM CSc1ccccc1C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000832790759 604392001 /nfs/dbraw/zinc/39/20/01/604392001.db2.gz REROCJMULZEHLP-INIZCTEOSA-N -1 0 343.448 3.990 20 0 EHADRM O=C([O-])[C@@H](NCc1ccn(C2CCCC2)n1)c1cccc(Cl)c1 ZINC000833170113 604401261 /nfs/dbraw/zinc/40/12/61/604401261.db2.gz PFFWYBRGCFTMLI-INIZCTEOSA-N -1 0 333.819 3.567 20 0 EHADRM CCOCCC1(C(=O)Oc2ccc(C(=O)[O-])cc2Cl)CCC1 ZINC000829994722 604423739 /nfs/dbraw/zinc/42/37/39/604423739.db2.gz QIZFOGNELNNDBM-UHFFFAOYSA-N -1 0 326.776 3.541 20 0 EHADRM O=C([O-])c1cc(C(=O)N2CCc3cc(-c4ccccc4)ccc32)ccn1 ZINC000432097480 604428305 /nfs/dbraw/zinc/42/83/05/604428305.db2.gz VQZJIYUFVLHFNX-UHFFFAOYSA-N -1 0 344.370 3.650 20 0 EHADRM Cc1ccc(-c2nnc(CNc3cc(NC(=O)[O-])ccc3F)o2)cc1 ZINC000830159333 604441574 /nfs/dbraw/zinc/44/15/74/604441574.db2.gz FOJVCNDJGBUDGE-UHFFFAOYSA-N -1 0 342.330 3.886 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)c2sccc2C2CC2)cc1 ZINC000825397394 604446889 /nfs/dbraw/zinc/44/68/89/604446889.db2.gz LAMNGHXLJKBJCO-LLVKDONJSA-N -1 0 344.436 3.884 20 0 EHADRM CC1(C)C[C@@H](NC(=O)CCc2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC000828055978 604451250 /nfs/dbraw/zinc/45/12/50/604451250.db2.gz LCPTVMMDTLOAHZ-GOSISDBHSA-N -1 0 337.419 3.856 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)c2coc3ccccc23)cc1 ZINC000825397281 604455277 /nfs/dbraw/zinc/45/52/77/604455277.db2.gz JDAISUZMPJYAIR-LBPRGKRZSA-N -1 0 338.363 3.691 20 0 EHADRM COc1cc(OC)cc([C@H](C(=O)[O-])N2CCC[C@H]2c2ccsc2)c1 ZINC000568060846 604457283 /nfs/dbraw/zinc/45/72/83/604457283.db2.gz QRFYJQPXDWJALA-DLBZAZTESA-N -1 0 347.436 3.728 20 0 EHADRM CC(C)(C)O[C@H](C(=O)OCc1ccoc1C(=O)[O-])c1ccccc1 ZINC000833445765 604470902 /nfs/dbraw/zinc/47/09/02/604470902.db2.gz GBBRHCDLPGMORJ-HNNXBMFYSA-N -1 0 332.352 3.577 20 0 EHADRM C[C@@H]1CSc2ccccc2N(C(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000833633491 604485156 /nfs/dbraw/zinc/48/51/56/604485156.db2.gz YOCGNUCEVIJRCS-LBPRGKRZSA-N -1 0 327.405 3.773 20 0 EHADRM C[C@@H](OC(=O)Cc1ccccc1C(=O)[O-])c1ncc(C(C)(C)C)o1 ZINC000833529255 604492136 /nfs/dbraw/zinc/49/21/36/604492136.db2.gz BTNIASLNCLBZQJ-LLVKDONJSA-N -1 0 331.368 3.517 20 0 EHADRM O=C([O-])c1csc(NC(=O)NCCCn2ccc3ccccc32)c1 ZINC000833137512 604495503 /nfs/dbraw/zinc/49/55/03/604495503.db2.gz COMPNLNKQPZLFP-UHFFFAOYSA-N -1 0 343.408 3.613 20 0 EHADRM CCCOc1ccc(CNC(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000829532340 604506494 /nfs/dbraw/zinc/50/64/94/604506494.db2.gz DQHPXXGIARXOCN-UHFFFAOYSA-N -1 0 334.397 3.557 20 0 EHADRM O=C([O-])c1csc(NC(=O)NCc2ccccc2OC2CCC2)c1 ZINC000833146676 604509619 /nfs/dbraw/zinc/50/96/19/604509619.db2.gz HYBQFCOHCQSVRE-UHFFFAOYSA-N -1 0 346.408 3.699 20 0 EHADRM O=C([O-])c1csc(NC(=O)N(Cc2ccc(F)cc2)C2CC2)c1 ZINC000833341235 604517536 /nfs/dbraw/zinc/51/75/36/604517536.db2.gz UQDBDMKZBCUGMP-UHFFFAOYSA-N -1 0 334.372 3.782 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)N1CCC[C@@H]1C1CCC1)c1ccccc1 ZINC000826094983 604518439 /nfs/dbraw/zinc/51/84/39/604518439.db2.gz GJKMATLSXNAQOE-SJORKVTESA-N -1 0 344.455 3.813 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)N1CCC[C@H]1C1CCC1)c1ccccc1 ZINC000826094982 604518776 /nfs/dbraw/zinc/51/87/76/604518776.db2.gz GJKMATLSXNAQOE-IRXDYDNUSA-N -1 0 344.455 3.813 20 0 EHADRM CC[C@]1(C)CCN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000829044103 604520456 /nfs/dbraw/zinc/52/04/56/604520456.db2.gz LJAFPGCUYITUEN-HNAYVOBHSA-N -1 0 332.444 3.670 20 0 EHADRM CCCCN(C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])C1CC1 ZINC000829373397 604522950 /nfs/dbraw/zinc/52/29/50/604522950.db2.gz VBGCMYAJNBJLBH-INIZCTEOSA-N -1 0 332.444 3.813 20 0 EHADRM Cc1coc(-c2cc(NC(=O)[C@@H](CC(C)C)NC(=O)[O-])ccc2C)n1 ZINC000830650198 604523249 /nfs/dbraw/zinc/52/32/49/604523249.db2.gz BMMVLUQWXHBECQ-OAHLLOKOSA-N -1 0 345.399 3.579 20 0 EHADRM O=C([O-])c1csc(NC(=O)NCc2cc3ccccc3s2)c1 ZINC000833144583 604524714 /nfs/dbraw/zinc/52/47/14/604524714.db2.gz ZXJGZGBXGUXHOS-UHFFFAOYSA-N -1 0 332.406 3.983 20 0 EHADRM CCC1CCN(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])CC1 ZINC000829124799 604525104 /nfs/dbraw/zinc/52/51/04/604525104.db2.gz AJVALVUYEVLRFG-MRXNPFEDSA-N -1 0 332.444 3.670 20 0 EHADRM Cc1cccc(NC(=O)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)c1C ZINC000830521341 604525699 /nfs/dbraw/zinc/52/56/99/604525699.db2.gz FVFFTLAAVVNERW-CQSZACIVSA-N -1 0 341.411 3.954 20 0 EHADRM C[C@@H]1CCCN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])[C@@H]1C ZINC000828266120 604529978 /nfs/dbraw/zinc/52/99/78/604529978.db2.gz PNPCBFPJPDNJKS-FMKPAKJESA-N -1 0 332.444 3.669 20 0 EHADRM CCOc1ccc(CC(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC000830070755 604541393 /nfs/dbraw/zinc/54/13/93/604541393.db2.gz GZUVNGDSBLIMOK-GFCCVEGCSA-N -1 0 332.352 3.532 20 0 EHADRM C/C(=C\c1ccccc1Cl)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000761679220 604542854 /nfs/dbraw/zinc/54/28/54/604542854.db2.gz MNJXANJNXRKKPR-FMIVXFBMSA-N -1 0 345.782 3.845 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)COc2ccc(C)c(C)c2)oc1C(=O)[O-] ZINC000832950879 604545153 /nfs/dbraw/zinc/54/51/53/604545153.db2.gz IXEWTWQQQPJLTP-CYBMUJFWSA-N -1 0 332.352 3.586 20 0 EHADRM CC(C)[C@@H](C(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000833466093 604553858 /nfs/dbraw/zinc/55/38/58/604553858.db2.gz RPUARLWXXMZJSG-GOSISDBHSA-N -1 0 341.382 3.806 20 0 EHADRM Cc1cncc(/C=C/C(=O)Nc2scc(C3CC3)c2C(=O)[O-])c1 ZINC000832986915 604557564 /nfs/dbraw/zinc/55/75/64/604557564.db2.gz REMGSSDVMBEEOJ-GORDUTHDSA-N -1 0 328.393 3.679 20 0 EHADRM CSc1cc(C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)ccc1N ZINC000832774143 604558959 /nfs/dbraw/zinc/55/89/59/604558959.db2.gz BECDUEOZIHCYMH-SECBINFHSA-N -1 0 335.381 3.508 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)c1sc2cc(F)ccc2c1Cl ZINC000386749508 604564088 /nfs/dbraw/zinc/56/40/88/604564088.db2.gz BMETZLDMGACHRN-VIFPVBQESA-N -1 0 341.791 3.773 20 0 EHADRM CC(C)Cn1ncc(C(=O)OC2CCC(CC(=O)[O-])CC2)c1C1CC1 ZINC000833493968 604576067 /nfs/dbraw/zinc/57/60/67/604576067.db2.gz OCMXUHUESXZAHG-UHFFFAOYSA-N -1 0 348.443 3.607 20 0 EHADRM CSc1ccsc1C(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000832790184 604583312 /nfs/dbraw/zinc/58/33/12/604583312.db2.gz ISNVHVGNKWXGEW-MRVPVSSYSA-N -1 0 326.395 3.988 20 0 EHADRM Cc1ccc2c(Cl)c(C(=O)N3CCC[C@@H]3CC(=O)[O-])sc2c1 ZINC000832961909 604585119 /nfs/dbraw/zinc/58/51/19/604585119.db2.gz NVUCVUBGPQPIKM-SNVBAGLBSA-N -1 0 337.828 3.942 20 0 EHADRM C[C@@H]1[C@@H](C)CCCN1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000833614691 604587703 /nfs/dbraw/zinc/58/77/03/604587703.db2.gz RYWATVKUHQOLBA-VHSXEESVSA-N -1 0 342.342 3.639 20 0 EHADRM CCN(C)[C@@H](C(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1)c1ccccc1 ZINC000829608171 604588435 /nfs/dbraw/zinc/58/84/35/604588435.db2.gz FPBKAQDFRUXHKF-XJKSGUPXSA-N -1 0 345.395 3.583 20 0 EHADRM Cc1cc([C@H](C)OC(=O)[C@H]2SCCc3ccccc32)oc1C(=O)[O-] ZINC000832876998 604592152 /nfs/dbraw/zinc/59/21/52/604592152.db2.gz RYIOCJASDZAQNI-ZBEGNZNMSA-N -1 0 346.404 3.921 20 0 EHADRM CC(C)CSCCNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000397184322 604593302 /nfs/dbraw/zinc/59/33/02/604593302.db2.gz KWUOPLCCPWISEN-UHFFFAOYSA-N -1 0 330.837 3.549 20 0 EHADRM CC1CCC(N(C(=O)NCCc2cccc(C(=O)[O-])c2)C2CC2)CC1 ZINC000833603779 604598464 /nfs/dbraw/zinc/59/84/64/604598464.db2.gz POACAMOTIKLTEQ-UHFFFAOYSA-N -1 0 344.455 3.680 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2sc(Cl)nc2C)oc1C(=O)[O-] ZINC000832876724 604598607 /nfs/dbraw/zinc/59/86/07/604598607.db2.gz YBZVWSJTTIMFKT-SSDOTTSWSA-N -1 0 329.761 3.623 20 0 EHADRM CCC(=O)c1ccc(C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC000828574419 604599554 /nfs/dbraw/zinc/59/95/54/604599554.db2.gz QLOQPYHHFRCWOZ-LLVKDONJSA-N -1 0 330.336 3.797 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)O[C@@H](C)Cc1ccc(Cl)s1 ZINC000833484722 604614981 /nfs/dbraw/zinc/61/49/81/604614981.db2.gz REOGVACBHCBBJL-ONGXEEELSA-N -1 0 333.837 3.558 20 0 EHADRM C/C(=C\c1ccccc1Cl)C(=O)N(CC(=O)[O-])c1cccc(C)n1 ZINC000833384248 604620100 /nfs/dbraw/zinc/62/01/00/604620100.db2.gz AZXSOTLPDWNHNY-ZRDIBKRKSA-N -1 0 344.798 3.565 20 0 EHADRM C[C@@H](Oc1ccc(CN2CCCC[C@@H]2c2nccs2)cc1)C(=O)[O-] ZINC000833541901 604623262 /nfs/dbraw/zinc/62/32/62/604623262.db2.gz PFAPMQWMNBEBBL-CZUORRHYSA-N -1 0 346.452 3.722 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@H]2CC(=O)[O-])cc1OCCC(C)C ZINC000832946099 604633195 /nfs/dbraw/zinc/63/31/95/604633195.db2.gz OYQHJPWFGSATKH-INIZCTEOSA-N -1 0 348.443 3.891 20 0 EHADRM CC(C)(C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)C1CCCC1 ZINC000431809752 604645164 /nfs/dbraw/zinc/64/51/64/604645164.db2.gz NGSHRQMFXCGVFZ-UHFFFAOYSA-N -1 0 339.819 3.958 20 0 EHADRM CCc1ccccc1C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000766237313 604659537 /nfs/dbraw/zinc/65/95/37/604659537.db2.gz YPLAXUPLUDSDIP-MRXNPFEDSA-N -1 0 331.799 3.848 20 0 EHADRM Cc1nc(NC(=O)Cc2ccc(C(C)(C)C)cc2)sc1C(=O)[O-] ZINC000833004257 604665309 /nfs/dbraw/zinc/66/53/09/604665309.db2.gz TUMJXSVROLOMAJ-UHFFFAOYSA-N -1 0 332.425 3.628 20 0 EHADRM O=C([O-])c1cccc(OCc2noc(-c3ccc(F)c(Cl)c3)n2)c1 ZINC000833331862 604665343 /nfs/dbraw/zinc/66/53/43/604665343.db2.gz FDWOMSUSYTXYMG-UHFFFAOYSA-N -1 0 348.717 3.806 20 0 EHADRM Cc1cc(F)cc(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000832888406 604667275 /nfs/dbraw/zinc/66/72/75/604667275.db2.gz SIUZKXJBMCFOGP-HNNXBMFYSA-N -1 0 334.322 3.611 20 0 EHADRM CCC(CC)[C@H](NC(=O)N1CCC[C@@H]1CC(=O)[O-])c1cccs1 ZINC000828854443 604675409 /nfs/dbraw/zinc/67/54/09/604675409.db2.gz FAHRYMGUMLAJPI-CJNGLKHVSA-N -1 0 338.473 3.874 20 0 EHADRM CCc1nc2sccc2c(NC[C@@H](C(=O)[O-])c2ccccc2)n1 ZINC000833674607 604675367 /nfs/dbraw/zinc/67/53/67/604675367.db2.gz FNXGZKOPLZKKJU-CYBMUJFWSA-N -1 0 327.409 3.534 20 0 EHADRM CC(C)CC[C@H]1CCCN1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000826845272 604685835 /nfs/dbraw/zinc/68/58/35/604685835.db2.gz SOQRLNKFRHADCW-QGZVFWFLSA-N -1 0 347.459 3.929 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)Cc2ccc(F)cc2Cl)cc1 ZINC000833238322 604689445 /nfs/dbraw/zinc/68/94/45/604689445.db2.gz KMRNPUZEYNYPRW-UHFFFAOYSA-N -1 0 335.762 3.678 20 0 EHADRM CCc1cc(C)c(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)o1 ZINC000830218866 604703092 /nfs/dbraw/zinc/70/30/92/604703092.db2.gz VOUKTWCNFNJTOH-UHFFFAOYSA-N -1 0 336.413 3.855 20 0 EHADRM O=C([O-])c1csc(NC(=O)CCCCCc2ccc(O)cc2)c1 ZINC000833097890 604706452 /nfs/dbraw/zinc/70/64/52/604706452.db2.gz YGUCCLWVIDDLMV-UHFFFAOYSA-N -1 0 333.409 3.894 20 0 EHADRM CCCOc1ccc(-c2nc3cc(C(=O)[O-])ccc3n2C)cc1OC ZINC000833652151 604712904 /nfs/dbraw/zinc/71/29/04/604712904.db2.gz MTEYXRZSKWHXAX-UHFFFAOYSA-N -1 0 340.379 3.736 20 0 EHADRM C[C@@H](Nc1cccc(C(=O)[O-])n1)c1ccc(F)c(Br)c1 ZINC000833739160 604713892 /nfs/dbraw/zinc/71/38/92/604713892.db2.gz NLKGTBBHIDSQKO-MRVPVSSYSA-N -1 0 339.164 3.855 20 0 EHADRM O=C([O-])CCc1csc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)n1 ZINC000833240900 604726976 /nfs/dbraw/zinc/72/69/76/604726976.db2.gz RGUYPFGZEGRACS-UHFFFAOYSA-N -1 0 349.799 3.547 20 0 EHADRM CC[C@H](C)[C@H](C(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccccc1 ZINC000828700227 604733934 /nfs/dbraw/zinc/73/39/34/604733934.db2.gz ISNOABNWFXPSLE-LRDDRELGSA-N -1 0 346.452 3.929 20 0 EHADRM O=C([O-])CCc1csc(NC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000833240186 604737874 /nfs/dbraw/zinc/73/78/74/604737874.db2.gz DTTVEZSZWYPAHW-UHFFFAOYSA-N -1 0 345.207 3.719 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1cccc(C(=O)[O-])c1 ZINC000432119326 604742856 /nfs/dbraw/zinc/74/28/56/604742856.db2.gz DFAVAQZCKKJAOM-NEPJUHHUSA-N -1 0 327.355 3.672 20 0 EHADRM COc1c(Cl)cccc1NCc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000833727315 604778157 /nfs/dbraw/zinc/77/81/57/604778157.db2.gz SOQQLVLWVNYBEQ-LLVKDONJSA-N -1 0 335.787 3.813 20 0 EHADRM C/C(=C/c1cccc(Cl)c1)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000761950999 604778261 /nfs/dbraw/zinc/77/82/61/604778261.db2.gz SWQWWHDCYOKBMU-QBFSEMIESA-N -1 0 335.831 3.847 20 0 EHADRM COC1CCC(CC(=O)Nc2ccc(Cl)cc2C(=O)[O-])CC1 ZINC000833720102 604812643 /nfs/dbraw/zinc/81/26/43/604812643.db2.gz YRSIXSXISCOYKW-UHFFFAOYSA-N -1 0 325.792 3.572 20 0 EHADRM Cc1cccc(C2=CCN(C(=O)CCc3ccc(C(=O)[O-])cc3)CC2)c1 ZINC000191676439 604815989 /nfs/dbraw/zinc/81/59/89/604815989.db2.gz RLWPHVXSOBUXBH-UHFFFAOYSA-N -1 0 349.430 3.942 20 0 EHADRM C[C@@H](CSCc1ccccc1)C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000827581567 604822217 /nfs/dbraw/zinc/82/22/17/604822217.db2.gz NWLIURXDSIPOFA-WFASDCNBSA-N -1 0 349.477 3.560 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828184211 604823731 /nfs/dbraw/zinc/82/37/31/604823731.db2.gz OMHNBRQUGUQGLW-DOMZBBRYSA-N -1 0 327.355 3.542 20 0 EHADRM Cc1ccccc1Sc1ccc(C(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC000832981352 604827609 /nfs/dbraw/zinc/82/76/09/604827609.db2.gz AIXVFQSEIGQVIZ-HNNXBMFYSA-N -1 0 341.432 3.693 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(CC(F)(F)F)c2)cc1F ZINC000833159316 604828205 /nfs/dbraw/zinc/82/82/05/604828205.db2.gz UVGRVZSHVLJOTB-UHFFFAOYSA-N -1 0 341.260 3.881 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1-c1ncco1 ZINC000832948047 604833861 /nfs/dbraw/zinc/83/38/61/604833861.db2.gz OVUOUGCFHBZHIH-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM Cc1cc(F)ccc1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000191080318 604836878 /nfs/dbraw/zinc/83/68/78/604836878.db2.gz SSEZCNKMXVOJDJ-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM CC1(OCC(=O)O[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CCC1 ZINC000828116099 604842130 /nfs/dbraw/zinc/84/21/30/604842130.db2.gz YERWWPXAYSYPMW-ZDUSSCGKSA-N -1 0 347.194 3.622 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)C[C@@H](C)c2ccccc2)cc1 ZINC000013188497 604842978 /nfs/dbraw/zinc/84/29/78/604842978.db2.gz XLAHIXQMIXYTFA-RDTXWAMCSA-N -1 0 341.407 3.521 20 0 EHADRM Cc1ccc2cc(C(=O)OCc3ccc(C(=O)[O-])s3)ccc2n1 ZINC000832961965 604844457 /nfs/dbraw/zinc/84/44/57/604844457.db2.gz KZGWMNCAPPJNQW-UHFFFAOYSA-N -1 0 327.361 3.660 20 0 EHADRM CCc1ccc(CC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)cc1 ZINC000237160170 604849227 /nfs/dbraw/zinc/84/92/27/604849227.db2.gz VQSGAQUENKTZKD-UHFFFAOYSA-N -1 0 347.798 3.547 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000833385064 604860830 /nfs/dbraw/zinc/86/08/30/604860830.db2.gz FVZHRWWZPXXEAH-UJGDBWEASA-N -1 0 339.366 3.834 20 0 EHADRM C[C@@H](CC(=O)N(C[C@@H](C)C(=O)[O-])C1CC1)Cc1ccc(Cl)cc1 ZINC000191165943 604868538 /nfs/dbraw/zinc/86/85/38/604868538.db2.gz PPIPSPDUSMWWIM-CHWSQXEVSA-N -1 0 337.847 3.620 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000325398414 604872809 /nfs/dbraw/zinc/87/28/09/604872809.db2.gz XPGGXUCJBARFBC-ZDUSSCGKSA-N -1 0 340.345 3.904 20 0 EHADRM Cc1cnc(CS[C@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)s1 ZINC000833754411 604873384 /nfs/dbraw/zinc/87/33/84/604873384.db2.gz ZFQDAWMSCLACQQ-SNVBAGLBSA-N -1 0 338.454 3.599 20 0 EHADRM CN(C(=O)c1cc2ccc(Cl)cc2[nH]1)C1(C(=O)[O-])CCCCC1 ZINC000191281971 604873605 /nfs/dbraw/zinc/87/36/05/604873605.db2.gz KPRZKYBKYHHVMV-UHFFFAOYSA-N -1 0 334.803 3.681 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)Nc2nc3ccccc3s2)C1 ZINC000325484237 604875779 /nfs/dbraw/zinc/87/57/79/604875779.db2.gz WSVLQTVPKQEPGU-NSHDSACASA-N -1 0 347.440 3.651 20 0 EHADRM Cc1sc(NC(=O)c2cc(F)c(F)cc2F)c(C(=O)[O-])c1C ZINC000833757938 604876266 /nfs/dbraw/zinc/87/62/66/604876266.db2.gz FAIQNOFGZNNHOE-UHFFFAOYSA-N -1 0 329.299 3.733 20 0 EHADRM Cc1ccc2c(CC(=O)N[C@H](CC(=O)[O-])c3ccccc3)coc2c1 ZINC000013224580 604880344 /nfs/dbraw/zinc/88/03/44/604880344.db2.gz ZQVWGOJCQVAZIH-QGZVFWFLSA-N -1 0 337.375 3.616 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc2ccc(F)cc2s1)c1ccccc1 ZINC000325341640 604883340 /nfs/dbraw/zinc/88/33/40/604883340.db2.gz DUZIXRUIRFLSBP-AWEZNQCLSA-N -1 0 343.379 3.986 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)[C@@H]1CCCc2sccc21)c1ccccc1 ZINC000365373731 604883581 /nfs/dbraw/zinc/88/35/81/604883581.db2.gz DABRJBXPWOOGCU-MJEQTWJJSA-N -1 0 343.448 3.746 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000391999808 604886736 /nfs/dbraw/zinc/88/67/36/604886736.db2.gz NMLDCYGSRWBSRN-OAHLLOKOSA-N -1 0 325.408 3.803 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)[C@@H]1CCCc2sccc21 ZINC000830383823 604887005 /nfs/dbraw/zinc/88/70/05/604887005.db2.gz GJKWKSDOZRJMPZ-GFCCVEGCSA-N -1 0 334.393 3.765 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)[C@H]1CCCc2sccc21 ZINC000833299533 604888687 /nfs/dbraw/zinc/88/86/87/604888687.db2.gz SHCYEGFZBWSCGW-ZDUSSCGKSA-N -1 0 334.368 3.749 20 0 EHADRM C[C@@H](C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000679102190 604893939 /nfs/dbraw/zinc/89/39/39/604893939.db2.gz URABVCAJPPCIHE-OCCSQVGLSA-N -1 0 337.847 3.793 20 0 EHADRM C/C(=C\C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)C(C)(C)C ZINC000776670788 604903713 /nfs/dbraw/zinc/90/37/13/604903713.db2.gz VXZKERMFTJNUDC-JXMROGBWSA-N -1 0 325.792 3.734 20 0 EHADRM O=C([O-])c1cncc(NC(=O)CCSc2ccc(Cl)cc2)c1 ZINC000316050534 604905562 /nfs/dbraw/zinc/90/55/62/604905562.db2.gz DQFKXJIPFPOBKM-UHFFFAOYSA-N -1 0 336.800 3.554 20 0 EHADRM CCN(C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)[C@H](C)C(C)C ZINC000829601859 604915998 /nfs/dbraw/zinc/91/59/98/604915998.db2.gz BMWHJAWLDICBRZ-LLVKDONJSA-N -1 0 342.823 3.702 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N1CCc2ccsc2C1)C(=O)[O-] ZINC000262733811 604916871 /nfs/dbraw/zinc/91/68/71/604916871.db2.gz HQDSNKSLNNLXKA-LLVKDONJSA-N -1 0 347.461 3.512 20 0 EHADRM C[C@@H](CC(=O)NC(C)(C)c1cccs1)C1CCN(C(=O)[O-])CC1 ZINC000824604756 604924274 /nfs/dbraw/zinc/92/42/74/604924274.db2.gz GHWKNRYRHCEUFK-LBPRGKRZSA-N -1 0 338.473 3.516 20 0 EHADRM CCN(Cc1ccccc1Cl)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000829728065 604928753 /nfs/dbraw/zinc/92/87/53/604928753.db2.gz QFTSPSOVNVHUFO-UHFFFAOYSA-N -1 0 335.762 3.840 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)/C=C\c1ccsc1 ZINC000492331563 604931780 /nfs/dbraw/zinc/93/17/80/604931780.db2.gz QFXPDVWDVPZWDK-HJWRWDBZSA-N -1 0 329.421 3.655 20 0 EHADRM Cc1ccc([C@H](C)C(=O)N(CCCC(=O)[O-])Cc2ccccc2)o1 ZINC000832924267 604933504 /nfs/dbraw/zinc/93/35/04/604933504.db2.gz NGQJSTJPQYTRGG-HNNXBMFYSA-N -1 0 329.396 3.585 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1cccc(Cl)c1F ZINC000833226829 604935027 /nfs/dbraw/zinc/93/50/27/604935027.db2.gz LCKGCYQIGHVJHE-UHFFFAOYSA-N -1 0 349.789 3.986 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2c2cccc(F)c2)cc1F ZINC000833309238 604943951 /nfs/dbraw/zinc/94/39/51/604943951.db2.gz ASXLLHIQDMBPLY-INIZCTEOSA-N -1 0 331.318 3.640 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NCc1noc(C2CCCCC2)n1)c1ccccc1 ZINC000833407349 604954708 /nfs/dbraw/zinc/95/47/08/604954708.db2.gz NGRBWOQDHSYWPM-GUYCJALGSA-N -1 0 343.427 3.669 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@@H]2CCCC(F)(F)C2)cc1Cl ZINC000833153715 604957275 /nfs/dbraw/zinc/95/72/75/604957275.db2.gz RHYNOFFYRNCDIU-SECBINFHSA-N -1 0 332.734 3.738 20 0 EHADRM C[C@@H](OC(=O)[C@H](C)NC(=O)[O-])c1ccc(Cl)c(C(F)(F)F)c1 ZINC000833534037 604983903 /nfs/dbraw/zinc/98/39/03/604983903.db2.gz QGWXRUSEGKKOMM-NKWVEPMBSA-N -1 0 339.697 3.619 20 0 EHADRM CCc1nc(NC(=O)CCCOc2ccccc2C)sc1C(=O)[O-] ZINC000833676705 604994273 /nfs/dbraw/zinc/99/42/73/604994273.db2.gz TVVKCGHBFQBNQN-UHFFFAOYSA-N -1 0 348.424 3.510 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C/C=C\c2ccc(F)cc2)C1 ZINC000679105711 604998357 /nfs/dbraw/zinc/99/83/57/604998357.db2.gz MDVKROYZAKHXLP-UYWPIULCSA-N -1 0 333.403 3.578 20 0 EHADRM CC(C)Cn1cc(C(=O)N2CCCC[C@H]2CC(=O)[O-])c2ccccc21 ZINC000679396827 605007892 /nfs/dbraw/zinc/00/78/92/605007892.db2.gz OXVAKPJQVCZUNW-HNNXBMFYSA-N -1 0 342.439 3.767 20 0 EHADRM Cc1scc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c1C ZINC000263516178 605008837 /nfs/dbraw/zinc/00/88/37/605008837.db2.gz DSECAKWGQHZXTL-UHFFFAOYSA-N -1 0 333.409 3.861 20 0 EHADRM C[C@@H](OC(=O)c1c(Cl)cc(C(F)(F)F)cc1Cl)C(=O)[O-] ZINC000737705714 605011489 /nfs/dbraw/zinc/01/14/89/605011489.db2.gz LCSVSWHRXYYWSJ-SCSAIBSYSA-N -1 0 331.073 3.642 20 0 EHADRM CCCOc1ccc(-c2nc(C(=O)O[C@H](CC)C(=O)[O-])cs2)cc1 ZINC000833652649 605014709 /nfs/dbraw/zinc/01/47/09/605014709.db2.gz WOFKJFSLXJHOQJ-CQSZACIVSA-N -1 0 349.408 3.619 20 0 EHADRM C[C@H]1CCc2ccccc2[C@H]1NC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000833616241 605019981 /nfs/dbraw/zinc/01/99/81/605019981.db2.gz AMIROBGLPVSSBR-DJJJIMSYSA-N -1 0 338.407 3.759 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)Nc1scnc1C1CC1)c1ccccc1 ZINC000833411245 605020430 /nfs/dbraw/zinc/02/04/30/605020430.db2.gz ODZIOWZHUBJUDC-GWCFXTLKSA-N -1 0 345.424 3.604 20 0 EHADRM C[C@H](CN(C)c1nnc(-c2cc(Cl)cc(Cl)c2)s1)C(=O)[O-] ZINC000263544775 605036481 /nfs/dbraw/zinc/03/64/81/605036481.db2.gz GFPCAOFDJCJUCN-SSDOTTSWSA-N -1 0 346.239 3.669 20 0 EHADRM C[C@@H](SC[C@@H]1CC(C(=O)[O-])=NO1)c1ccc(OC(F)(F)F)cc1 ZINC000833544142 605042005 /nfs/dbraw/zinc/04/20/05/605042005.db2.gz YNNLEKFKCMEJBN-KCJUWKMLSA-N -1 0 349.330 3.609 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)O[C@H](C)c1ccc(F)cc1Cl ZINC000833485043 605054734 /nfs/dbraw/zinc/05/47/34/605054734.db2.gz XJVICJUBTIQNSK-NOZJJQNGSA-N -1 0 331.771 3.766 20 0 EHADRM C[C@H](CC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccc(F)cc1F ZINC000621558988 605060713 /nfs/dbraw/zinc/06/07/13/605060713.db2.gz XCCJIKDTVCUUCU-LLVKDONJSA-N -1 0 345.345 3.699 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccccc1N1CCCCCC1 ZINC000833454195 605066807 /nfs/dbraw/zinc/06/68/07/605066807.db2.gz GURVZCTUXWOUEC-UHFFFAOYSA-N -1 0 332.444 3.897 20 0 EHADRM C[C@H](OC(=O)C1CCC(C(=O)[O-])CC1)c1ccc(OC(F)F)cc1 ZINC000833528467 605074033 /nfs/dbraw/zinc/07/40/33/605074033.db2.gz OUNWLZCZECIHMP-PKSQDBQZSA-N -1 0 342.338 3.783 20 0 EHADRM CC(C)[C@H]1C[C@H](CC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)CCO1 ZINC000833470898 605074829 /nfs/dbraw/zinc/07/48/29/605074829.db2.gz MKPTZLSGFOVRFF-NVXWUHKLSA-N -1 0 348.443 3.576 20 0 EHADRM CC1(C)CC[C@H](C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC000833557706 605075660 /nfs/dbraw/zinc/07/56/60/605075660.db2.gz XBRYHCLQJCONJR-JTQLQIEISA-N -1 0 327.327 3.751 20 0 EHADRM C[C@H](CC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC000191520045 605083704 /nfs/dbraw/zinc/08/37/04/605083704.db2.gz SIORLNGAZRXZBX-APWZRJJASA-N -1 0 339.435 3.773 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC000833514859 605085351 /nfs/dbraw/zinc/08/53/51/605085351.db2.gz CSAMWFXSABFPPG-HNNXBMFYSA-N -1 0 326.392 3.878 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000190612556 605097806 /nfs/dbraw/zinc/09/78/06/605097806.db2.gz PRFYUCSJAJXREK-UHFFFAOYSA-N -1 0 342.439 3.765 20 0 EHADRM C[C@H]1CC[C@H](C)N1C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000706277790 605129677 /nfs/dbraw/zinc/12/96/77/605129677.db2.gz BIPSTWVOIDNAEH-IUCAKERBSA-N -1 0 341.205 3.552 20 0 EHADRM CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2cccc(F)c2C(=O)[O-])C1 ZINC000833668854 605137069 /nfs/dbraw/zinc/13/70/69/605137069.db2.gz TWNCFPIYEHEKJG-GHMZBOCLSA-N -1 0 340.420 3.662 20 0 EHADRM C[C@@H](c1ccco1)N(C(=O)Nc1cccc(F)c1C(=O)[O-])C1CC1 ZINC000833548263 605138764 /nfs/dbraw/zinc/13/87/64/605138764.db2.gz BYQIPVTVNUVEMD-JTQLQIEISA-N -1 0 332.331 3.874 20 0 EHADRM C[C@@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)[C@H]1CC1(C)C ZINC000833549809 605148172 /nfs/dbraw/zinc/14/81/72/605148172.db2.gz OZJWQHBNGJGUPX-GXTWGEPZSA-N -1 0 342.395 3.509 20 0 EHADRM C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000833593662 605148673 /nfs/dbraw/zinc/14/86/73/605148673.db2.gz UEEOXUQUZOXJPD-MWLCHTKSSA-N -1 0 337.441 3.688 20 0 EHADRM CC1(c2ccccc2)CCN(C(=O)Nc2ccc(C(=O)[O-])cc2)CC1 ZINC000833572343 605152438 /nfs/dbraw/zinc/15/24/38/605152438.db2.gz BUCQUMKYFIVMEJ-UHFFFAOYSA-N -1 0 338.407 3.970 20 0 EHADRM CC(C)(C)C[C@@H](Sc1nnc(Cc2cccs2)o1)C(=O)[O-] ZINC000833429729 605154393 /nfs/dbraw/zinc/15/43/93/605154393.db2.gz OFQKAQUSEVZQNO-SNVBAGLBSA-N -1 0 326.443 3.703 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)O[C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)C1 ZINC000833604018 605155629 /nfs/dbraw/zinc/15/56/29/605155629.db2.gz CKCUEBLFQNYCNC-JIMOISOXSA-N -1 0 330.302 3.968 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(C(=O)[O-])c2C)c1C(C)C ZINC000683303535 605156696 /nfs/dbraw/zinc/15/66/96/605156696.db2.gz FTZWDPHNWSPZHT-UHFFFAOYSA-N -1 0 342.395 3.908 20 0 EHADRM CC(C)(C)Cc1csc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)n1 ZINC000833430369 605160765 /nfs/dbraw/zinc/16/07/65/605160765.db2.gz OJTSZSZNHZEZCC-UHFFFAOYSA-N -1 0 336.388 3.821 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)OCc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC000833606726 605163947 /nfs/dbraw/zinc/16/39/47/605163947.db2.gz UUOXXSVZTBYJAC-BXUZGUMPSA-N -1 0 345.420 3.988 20 0 EHADRM C[C@@](CNC(=O)[O-])(NCc1ncc(-c2cccc(Cl)c2)o1)C1CC1 ZINC000824953460 605169535 /nfs/dbraw/zinc/16/95/35/605169535.db2.gz WFGCPSRZJHYNOD-KRWDZBQOSA-N -1 0 349.818 3.521 20 0 EHADRM CCOc1cc(F)ccc1NC(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000833660337 605170076 /nfs/dbraw/zinc/17/00/76/605170076.db2.gz ITEIPFHBDMNYKR-UHFFFAOYSA-N -1 0 338.379 3.524 20 0 EHADRM CC(C)Cn1ncc(NC(=O)c2cccc(C(=O)[O-])c2)c1C(C)C ZINC000819993179 605171919 /nfs/dbraw/zinc/17/19/19/605171919.db2.gz SXVPHFRCDQLFDT-UHFFFAOYSA-N -1 0 329.400 3.613 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000833457347 605172198 /nfs/dbraw/zinc/17/21/98/605172198.db2.gz SIKGOHWGVOUASC-UHFFFAOYSA-N -1 0 337.725 3.732 20 0 EHADRM CC[C@H](C)Oc1cc(C(=O)Oc2ccc(NC(=O)[O-])cc2)ccn1 ZINC000833641419 605230509 /nfs/dbraw/zinc/23/05/09/605230509.db2.gz YGHAXNIEEKRKCU-NSHDSACASA-N -1 0 330.340 3.568 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)OC/C=C/c1cccc(C(F)(F)F)c1 ZINC000833509322 605231210 /nfs/dbraw/zinc/23/12/10/605231210.db2.gz LCDDJYXLPWSYJH-BPJJOFIESA-N -1 0 345.317 3.554 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000833428002 605233498 /nfs/dbraw/zinc/23/34/98/605233498.db2.gz NRYBBFNOXFNOOQ-LLVKDONJSA-N -1 0 347.180 3.634 20 0 EHADRM CC(C)C[C@H]1C[C@@H](NC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)CCO1 ZINC000833484255 605239180 /nfs/dbraw/zinc/23/91/80/605239180.db2.gz UREUXOOIKGXRLA-HOCLYGCPSA-N -1 0 349.431 3.516 20 0 EHADRM CC(C)(C)OC(=O)Nc1cccc(COc2cccnc2C(=O)[O-])c1 ZINC000833445554 605241357 /nfs/dbraw/zinc/24/13/57/605241357.db2.gz XQGUIUGDZKSLAE-UHFFFAOYSA-N -1 0 344.367 3.706 20 0 EHADRM O=C([O-])N1CCc2cccc(CNc3cccc(-n4ccnc4)c3)c21 ZINC000832087683 605247022 /nfs/dbraw/zinc/24/70/22/605247022.db2.gz YOTSJFCBRQOOSK-UHFFFAOYSA-N -1 0 334.379 3.525 20 0 EHADRM CC(C)[C@@H](Sc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC000833470407 605256359 /nfs/dbraw/zinc/25/63/59/605256359.db2.gz KCYHBWKUGKYLEO-OAHLLOKOSA-N -1 0 330.409 3.535 20 0 EHADRM O=C([O-])N1CC[C@@H](Nc2ccc(COCc3ccccc3)cc2)C1 ZINC000831963270 605257941 /nfs/dbraw/zinc/25/79/41/605257941.db2.gz CWKDDOKZERFIBZ-GOSISDBHSA-N -1 0 326.396 3.568 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NCC1(c2ccc(F)cc2Cl)CC1 ZINC000191635188 605266099 /nfs/dbraw/zinc/26/60/99/605266099.db2.gz GCKXHDUHPKBRNP-UHFFFAOYSA-N -1 0 341.810 3.518 20 0 EHADRM CC(C)Oc1cccc(CC(=O)Nc2ccc(NC(=O)[O-])c(F)c2)c1 ZINC000833506576 605275069 /nfs/dbraw/zinc/27/50/69/605275069.db2.gz CYDXEVGGUNWDOE-UHFFFAOYSA-N -1 0 346.358 3.884 20 0 EHADRM C[C@@H](SCc1noc(CCCC(=O)[O-])n1)c1nc2ccccc2o1 ZINC000833545436 605297619 /nfs/dbraw/zinc/29/76/19/605297619.db2.gz HZNCTSDCPZAUJY-SNVBAGLBSA-N -1 0 347.396 3.613 20 0 EHADRM COc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)ccc1C ZINC000431855248 605303624 /nfs/dbraw/zinc/30/36/24/605303624.db2.gz GCKWTTSVWGXMHT-LJQANCHMSA-N -1 0 349.386 3.713 20 0 EHADRM C[C@H](CC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1)c1ccncc1 ZINC000833514133 605304127 /nfs/dbraw/zinc/30/41/27/605304127.db2.gz OTFGAWFPUNDQSA-VLIAUNLRSA-N -1 0 348.402 3.671 20 0 EHADRM C[C@@H](Oc1ccccc1Cl)C(=O)OCc1ccc(NC(=O)[O-])cc1 ZINC000833542177 605305011 /nfs/dbraw/zinc/30/50/11/605305011.db2.gz GLDQUNYERCFQQU-LLVKDONJSA-N -1 0 349.770 3.941 20 0 EHADRM CC[C@@H](C)Oc1cc(C(=O)Nc2ccc(NC(=O)[O-])c(F)c2)ccn1 ZINC000833640725 605305091 /nfs/dbraw/zinc/30/50/91/605305091.db2.gz BDWGGEUZCWBWNQ-SNVBAGLBSA-N -1 0 347.346 3.740 20 0 EHADRM CCC(CC)n1ccc(CNc2ccc(OC)c(NC(=O)[O-])c2)n1 ZINC000826575707 605356166 /nfs/dbraw/zinc/35/61/66/605356166.db2.gz MZSDREZHELBCOZ-UHFFFAOYSA-N -1 0 332.404 3.955 20 0 EHADRM C[C@H](OC(=O)CN(C)C(=O)[O-])c1ccc(SC(F)(F)F)cc1 ZINC000833529701 605368873 /nfs/dbraw/zinc/36/88/73/605368873.db2.gz PSZVZCGCNWUMDW-QMMMGPOBSA-N -1 0 337.319 3.513 20 0 EHADRM CC(C)Oc1c(F)cc(NC(=O)c2ccc(C(=O)[O-])s2)cc1F ZINC000833505842 605376115 /nfs/dbraw/zinc/37/61/15/605376115.db2.gz UNVLIMUGVVRTCY-UHFFFAOYSA-N -1 0 341.335 3.764 20 0 EHADRM O=C([O-])N1CCC[C@H]1CCC(=O)Nc1ccc(-c2nccs2)cc1 ZINC000833997638 605395717 /nfs/dbraw/zinc/39/57/17/605395717.db2.gz DROBMALYMBWKJY-AWEZNQCLSA-N -1 0 345.424 3.671 20 0 EHADRM Cc1ncc(-c2ccc(NC(=O)CC[C@@H]3CCCN3C(=O)[O-])cc2)o1 ZINC000833915060 605400299 /nfs/dbraw/zinc/40/02/99/605400299.db2.gz ITHQSYPNXKCYFB-HNNXBMFYSA-N -1 0 343.383 3.511 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)OCc1ccc(Cl)cn1)c1ccccc1 ZINC000834137683 605416502 /nfs/dbraw/zinc/41/65/02/605416502.db2.gz OGMGZESDWULXIM-HNNXBMFYSA-N -1 0 348.786 3.567 20 0 EHADRM Cc1ccc(C[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000685018979 605419551 /nfs/dbraw/zinc/41/95/51/605419551.db2.gz OCEGVKQRABCSGE-HIFRSBDPSA-N -1 0 331.437 3.567 20 0 EHADRM CC(C)(C)Oc1ccc(CNc2nc(Cl)c(C(=O)[O-])s2)cn1 ZINC000833447459 605422894 /nfs/dbraw/zinc/42/28/94/605422894.db2.gz LGALGHABYYPMMO-UHFFFAOYSA-N -1 0 341.820 3.679 20 0 EHADRM C/C(=C\CN1CCC[C@H]1c1ccc(Br)s1)C(=O)[O-] ZINC000833381892 605431019 /nfs/dbraw/zinc/43/10/19/605431019.db2.gz FPCACBGICHORNV-ZKXNXJMVSA-N -1 0 330.247 3.678 20 0 EHADRM O=C([O-])N[C@H]1CC[C@H](OC(=O)c2csc(-c3ccccc3)n2)CC1 ZINC000832817390 605446132 /nfs/dbraw/zinc/44/61/32/605446132.db2.gz JEJUPTJZGLOHAW-JOCQHMNTSA-N -1 0 346.408 3.546 20 0 EHADRM O=C([O-])N1CC[C@H](CCC(=O)N(Cc2ccco2)c2ccccc2)C1 ZINC000834070867 605456715 /nfs/dbraw/zinc/45/67/15/605456715.db2.gz BZAZQUFANNLYNG-HNNXBMFYSA-N -1 0 342.395 3.593 20 0 EHADRM CC(C)(C)Sc1cc(C(=O)NCc2cccc(C(=O)[O-])c2)ccn1 ZINC000833448214 605460025 /nfs/dbraw/zinc/46/00/25/605460025.db2.gz RCQOJAYORYEVAG-UHFFFAOYSA-N -1 0 344.436 3.600 20 0 EHADRM Cc1ccc(C(=O)O[C@@H](C(=O)[O-])c2c(F)cccc2Cl)s1 ZINC000833748124 605489592 /nfs/dbraw/zinc/48/95/92/605489592.db2.gz SPGWDLRNELEWCJ-GFCCVEGCSA-N -1 0 328.748 3.832 20 0 EHADRM Cc1ccc(C(=O)O[C@@H](C(=O)[O-])c2c(F)cccc2Cl)c(F)c1 ZINC000833747712 605514384 /nfs/dbraw/zinc/51/43/84/605514384.db2.gz GBTJONFIERNNQS-CQSZACIVSA-N -1 0 340.709 3.909 20 0 EHADRM CCCN(C(=O)Nc1ccc(CC)cc1)C1CCN(C(=O)[O-])CC1 ZINC000826878834 605539289 /nfs/dbraw/zinc/53/92/89/605539289.db2.gz AQTIYTPLLOBHIK-UHFFFAOYSA-N -1 0 333.432 3.635 20 0 EHADRM O=C([O-])N1CCC2(C[C@@H]2C(=O)Nc2csc3ccccc23)CC1 ZINC000834059314 605539573 /nfs/dbraw/zinc/53/95/73/605539573.db2.gz USHHWVGEQMRLDE-GFCCVEGCSA-N -1 0 330.409 3.620 20 0 EHADRM Cc1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)ccc1NC(=O)[O-] ZINC000829941808 605565704 /nfs/dbraw/zinc/56/57/04/605565704.db2.gz ZAPZKWWLRCQZHP-UHFFFAOYSA-N -1 0 328.412 3.784 20 0 EHADRM Cc1cc(C(=O)N(C)Cc2ccc(F)cc2F)ccc1NC(=O)[O-] ZINC000829914725 605591343 /nfs/dbraw/zinc/59/13/43/605591343.db2.gz VNZRNQROOVKZDG-UHFFFAOYSA-N -1 0 334.322 3.635 20 0 EHADRM CC(C)CCC[C@H](C)NC(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC000833480977 605620436 /nfs/dbraw/zinc/62/04/36/605620436.db2.gz ODBHAKDEFMOFJC-ZDUSSCGKSA-N -1 0 347.459 3.671 20 0 EHADRM Cc1cc(C(=O)NCC2(c3ccc(F)cc3)CC2)ccc1NC(=O)[O-] ZINC000829947129 605625572 /nfs/dbraw/zinc/62/55/72/605625572.db2.gz VWTNRAOBCSJIKA-UHFFFAOYSA-N -1 0 342.370 3.686 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(-c3cnco3)cc2)ccc1NC(=O)[O-] ZINC000829961804 605628246 /nfs/dbraw/zinc/62/82/46/605628246.db2.gz MFFZKKMNCNCRKO-UHFFFAOYSA-N -1 0 337.335 3.992 20 0 EHADRM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000833606784 605631504 /nfs/dbraw/zinc/63/15/04/605631504.db2.gz VULMQDTYURPOLJ-MWLCHTKSSA-N -1 0 330.306 3.580 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cccc([C@@H]3CCOC3)c2)cc1 ZINC000834262844 605637805 /nfs/dbraw/zinc/63/78/05/605637805.db2.gz WEVNKWODQGCUFW-CQSZACIVSA-N -1 0 326.352 3.533 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)c2c[nH]c3cccc(F)c23)c1 ZINC000834262490 605644931 /nfs/dbraw/zinc/64/49/31/605644931.db2.gz UORDIIVRRLLVJQ-UHFFFAOYSA-N -1 0 331.278 3.788 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)c1cnc(-c2cccnc2)s1 ZINC000834275391 605645007 /nfs/dbraw/zinc/64/50/07/605645007.db2.gz FSQFYFNIWKCYEQ-UHFFFAOYSA-N -1 0 340.364 3.547 20 0 EHADRM C[C@H](OC(=O)c1cnc(C(=O)[O-])cn1)c1ccccc1-c1ccccc1 ZINC000833535801 605679133 /nfs/dbraw/zinc/67/91/33/605679133.db2.gz LARVWUUJANECAE-ZDUSSCGKSA-N -1 0 348.358 3.760 20 0 EHADRM Cc1ccc(C(=O)N2CCCOc3ccccc32)cc1NC(=O)[O-] ZINC000833904611 605690677 /nfs/dbraw/zinc/69/06/77/605690677.db2.gz VAZRATXEOPAHKD-UHFFFAOYSA-N -1 0 326.352 3.514 20 0 EHADRM Cc1nc(C(C)(C)NC(=O)c2ccc(NC(=O)[O-])c(C)c2)sc1C ZINC000829934452 605695534 /nfs/dbraw/zinc/69/55/34/605695534.db2.gz MJUMGTLEHDYYDB-UHFFFAOYSA-N -1 0 347.440 3.823 20 0 EHADRM Cc1cc(C(=O)N2CCCC[C@H]2c2cccn2C)ccc1NC(=O)[O-] ZINC000829930242 605706159 /nfs/dbraw/zinc/70/61/59/605706159.db2.gz MEESPNHICSCCIQ-KRWDZBQOSA-N -1 0 341.411 3.791 20 0 EHADRM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000833607074 605709794 /nfs/dbraw/zinc/70/97/94/605709794.db2.gz YWGUNGDUCMQSKN-UWVGGRQHSA-N -1 0 345.321 3.971 20 0 EHADRM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000833605810 605711249 /nfs/dbraw/zinc/71/12/49/605711249.db2.gz LCFRMYGTAMHDST-WPRPVWTQSA-N -1 0 348.296 3.719 20 0 EHADRM COc1c(F)cc(F)cc1NC(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000829072868 605713597 /nfs/dbraw/zinc/71/35/97/605713597.db2.gz UUGLICBTHSZXCA-UHFFFAOYSA-N -1 0 336.294 3.624 20 0 EHADRM COc1cc(N[C@@H]2C[C@H](NC(=O)[O-])c3ccccc32)cc(OC)c1 ZINC000833887585 605809923 /nfs/dbraw/zinc/80/99/23/605809923.db2.gz IKLZUTVNODABKK-SJORKVTESA-N -1 0 328.368 3.569 20 0 EHADRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)C(C)(C)CCCc1ccccc1 ZINC000825803190 605851782 /nfs/dbraw/zinc/85/17/82/605851782.db2.gz ZANMXROIAZTZSO-NVXWUHKLSA-N -1 0 346.471 3.683 20 0 EHADRM O=C([O-])Nc1cccc(CN(Cc2ccco2)Cc2cccnc2)c1 ZINC000834269353 605872318 /nfs/dbraw/zinc/87/23/18/605872318.db2.gz UFYHURWNDIALPA-UHFFFAOYSA-N -1 0 337.379 3.967 20 0 EHADRM O=C([O-])N1CCC2(CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[C@H]4C3)C2)CC1 ZINC000834088347 605875623 /nfs/dbraw/zinc/87/56/23/605875623.db2.gz MVAIAMKCYSRZHX-YESZJQIVSA-N -1 0 348.487 3.585 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)N(C1CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000830473832 605877042 /nfs/dbraw/zinc/87/70/42/605877042.db2.gz YELUTQJBJRIFBT-OAHLLOKOSA-N -1 0 345.443 3.867 20 0 EHADRM CC(C)(C)Oc1ccccc1NC(=O)[C@H]1CC12CCN(C(=O)[O-])CC2 ZINC000833791933 605964006 /nfs/dbraw/zinc/96/40/06/605964006.db2.gz YOAOXXXAKIYMBI-CYBMUJFWSA-N -1 0 346.427 3.583 20 0 EHADRM O=C([O-])N(CC(=O)Nc1cccc2ccc(O)cc21)c1ccccc1 ZINC000834003443 605981191 /nfs/dbraw/zinc/98/11/91/605981191.db2.gz FQMDVZISKRTAIS-UHFFFAOYSA-N -1 0 336.347 3.669 20 0 EHADRM O=C([O-])N1CCCCC[C@@H]1c1noc(-c2ccnc(C3CC3)c2)n1 ZINC000834110424 605996895 /nfs/dbraw/zinc/99/68/95/605996895.db2.gz XNTWJHXFLHPGNZ-CQSZACIVSA-N -1 0 328.372 3.604 20 0 EHADRM Cc1nn(C)c2sc(C(=O)Nc3cc(NC(=O)[O-])ccc3C)cc12 ZINC000833905687 606005151 /nfs/dbraw/zinc/00/51/51/606005151.db2.gz ANRMRKVQRWYHCK-UHFFFAOYSA-N -1 0 344.396 3.594 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCc1ccc(F)cc1F ZINC000833907031 606011577 /nfs/dbraw/zinc/01/15/77/606011577.db2.gz WQKAKXPVSLPUNC-UHFFFAOYSA-N -1 0 335.310 3.685 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)[C@H](CC(F)F)NC(=O)[O-])c1ccccc1 ZINC000833789578 606012492 /nfs/dbraw/zinc/01/24/92/606012492.db2.gz LWSYBDYFGSHOPI-STQMWFEESA-N -1 0 342.386 3.572 20 0 EHADRM Cc1noc(C)c1[C@H](C)C(=O)OCCCc1cccc(NC(=O)[O-])c1 ZINC000833929379 606023029 /nfs/dbraw/zinc/02/30/29/606023029.db2.gz UDFUSPKPMWYYSH-NSHDSACASA-N -1 0 346.383 3.661 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)Nc2cccnc2-c2ccccc2)C1 ZINC000834167215 606024638 /nfs/dbraw/zinc/02/46/38/606024638.db2.gz AVPIPBUHGIGDSR-LSDHHAIUSA-N -1 0 339.395 3.514 20 0 EHADRM O=C([O-])Nc1cnc(C(=O)N2CCC[C@H]2CCC2CCCCC2)cn1 ZINC000834276312 606035601 /nfs/dbraw/zinc/03/56/01/606035601.db2.gz PTRYCTJZWGDQME-AWEZNQCLSA-N -1 0 346.431 3.532 20 0 EHADRM O=C([O-])Nc1cccc(OC[C@@H](O)c2ccccc2C(F)(F)F)c1 ZINC000834268341 606039013 /nfs/dbraw/zinc/03/90/13/606039013.db2.gz KXLONBOREYRNPA-CQSZACIVSA-N -1 0 341.285 3.908 20 0 EHADRM CC(C)[C@@H](NC(=O)Cc1ccccc1NC(=O)[O-])c1ccccc1 ZINC000833792938 606041872 /nfs/dbraw/zinc/04/18/72/606041872.db2.gz PUFNWHQPKZYZOS-GOSISDBHSA-N -1 0 326.396 3.833 20 0 EHADRM CN(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1NC(=O)[O-] ZINC000833874768 606042042 /nfs/dbraw/zinc/04/20/42/606042042.db2.gz YQSLDFMYPRSRHX-UHFFFAOYSA-N -1 0 332.787 3.631 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000834273139 606042697 /nfs/dbraw/zinc/04/26/97/606042697.db2.gz SYSDDCQOTMQGMX-SQWLQELKSA-N -1 0 330.428 3.794 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N[C@H](c1cccs1)C1CC1 ZINC000834273693 606044579 /nfs/dbraw/zinc/04/45/79/606044579.db2.gz YRFIYSOWQFFSKK-INIZCTEOSA-N -1 0 330.409 3.648 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000834271215 606044866 /nfs/dbraw/zinc/04/48/66/606044866.db2.gz QYGKSGHSQKWFDA-QGZVFWFLSA-N -1 0 342.370 3.822 20 0 EHADRM O=C([O-])N1CCC[C@@H](Nc2cccc(OCc3cscn3)c2)CC1 ZINC000834105824 606046583 /nfs/dbraw/zinc/04/65/83/606046583.db2.gz PQRGALYUJBNEOS-CYBMUJFWSA-N -1 0 347.440 3.667 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000106792627 939031920 /nfs/dbraw/zinc/03/19/20/939031920.db2.gz VMEXQSVKDWVWHZ-CYBMUJFWSA-N -1 0 339.178 3.941 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CC1CCC(C(F)(F)F)CC1)c1ccccc1 ZINC000190745040 939035431 /nfs/dbraw/zinc/03/54/31/939035431.db2.gz XNLSEPKGSNVZQX-HGMXIMQMSA-N -1 0 343.345 3.687 20 0 EHADRM CCc1cc(C)c(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)o1 ZINC000191489253 939038655 /nfs/dbraw/zinc/03/86/55/939038655.db2.gz NAJJOYLJAZGLIU-KRWDZBQOSA-N -1 0 337.375 3.859 20 0 EHADRM CSc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(F)c(C)c2)c1 ZINC000684745451 939047622 /nfs/dbraw/zinc/04/76/22/939047622.db2.gz OIVQCTZKPUNPHF-HNNXBMFYSA-N -1 0 348.399 3.803 20 0 EHADRM O=C([O-])C1(NC(=O)Cc2ccc3ccccc3c2)CCCCCC1 ZINC000237934868 939052059 /nfs/dbraw/zinc/05/20/59/939052059.db2.gz UVOZWOPMBJUNMN-UHFFFAOYSA-N -1 0 325.408 3.676 20 0 EHADRM O=C([O-])[C@H](NC(=O)CCSc1ccc(Cl)cc1)c1ccccc1 ZINC000238012833 939054738 /nfs/dbraw/zinc/05/47/38/939054738.db2.gz ITBZXAAEJABPRB-MRXNPFEDSA-N -1 0 349.839 3.764 20 0 EHADRM Cc1cc2[nH]c(C(=O)NC3(C(=O)[O-])CCCCCC3)cc2c(C)c1 ZINC000746364938 939061153 /nfs/dbraw/zinc/06/11/53/939061153.db2.gz AISOTEOOBVFDTB-UHFFFAOYSA-N -1 0 328.412 3.692 20 0 EHADRM C[C@](NC(=O)C[C@@H]1C=CCC1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000262925340 939087043 /nfs/dbraw/zinc/08/70/43/939087043.db2.gz GOJXIHCLHYJQSN-QLJPJBMISA-N -1 0 342.222 3.766 20 0 EHADRM O=C([O-])C1(NC(=O)/C=C\c2ccc(-c3ccc(F)cc3)s2)CCC1 ZINC000776654202 939101138 /nfs/dbraw/zinc/10/11/38/939101138.db2.gz LYVSMIITWDFLPP-CLFYSBASSA-N -1 0 345.395 3.691 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC000263206836 939109628 /nfs/dbraw/zinc/10/96/28/939109628.db2.gz ZEYBJDFTGSVJBS-NFAWXSAZSA-N -1 0 347.411 3.550 20 0 EHADRM CCOc1ccc(NC(=O)NC2(C(=O)[O-])CCC(CC)CC2)cc1 ZINC000325129171 939126150 /nfs/dbraw/zinc/12/61/50/939126150.db2.gz HWRBCKYTZGYQCM-UHFFFAOYSA-N -1 0 334.416 3.630 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000327407019 939127700 /nfs/dbraw/zinc/12/77/00/939127700.db2.gz LNTTUBYKSFOPJX-LJQANCHMSA-N -1 0 341.338 3.610 20 0 EHADRM Cc1[nH]c2ccc(C(=O)N[C@@](C)(C(=O)[O-])c3ccccc3)cc2c1C ZINC000327416863 939127706 /nfs/dbraw/zinc/12/77/06/939127706.db2.gz NPENWDNHEYNAGC-HXUWFJFHSA-N -1 0 336.391 3.515 20 0 EHADRM Cc1cc(C)cc([C@H](NC(=O)Nc2nc(C3CC3)cs2)C(=O)[O-])c1 ZINC000788321283 939150484 /nfs/dbraw/zinc/15/04/84/939150484.db2.gz JNYUALGYVCEBLQ-AWEZNQCLSA-N -1 0 345.424 3.585 20 0 EHADRM C[C@H](CC(=O)N[C@@H](C(=O)[O-])c1ccccc1)Cc1ccc(Cl)cc1 ZINC000431465217 939152696 /nfs/dbraw/zinc/15/26/96/939152696.db2.gz NENHBFYMVNFMQF-SCLBCKFNSA-N -1 0 345.826 3.851 20 0 EHADRM C[C@H](CC(=O)NC1(C(=O)[O-])CCC(C)CC1)c1ccc(F)cc1F ZINC000431785891 939157233 /nfs/dbraw/zinc/15/72/33/939157233.db2.gz BBTJMAMKCQAVHU-BJCXPLBRSA-N -1 0 339.382 3.608 20 0 EHADRM CCOc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)cc1 ZINC000431886569 939169307 /nfs/dbraw/zinc/16/93/07/939169307.db2.gz YZNJUZHIDRQBFT-LJQANCHMSA-N -1 0 349.386 3.794 20 0 EHADRM C[C@H](C(=O)NC1(C(=O)[O-])CCCCCC1)c1cc2ccccc2o1 ZINC000431977865 939170361 /nfs/dbraw/zinc/17/03/61/939170361.db2.gz QOEMBQKDHCJEMV-ZDUSSCGKSA-N -1 0 329.396 3.830 20 0 EHADRM CC(C)c1cccc(O[C@H](C)C(=O)N[C@H](C(=O)[O-])c2cccs2)c1 ZINC000448987895 939205226 /nfs/dbraw/zinc/20/52/26/939205226.db2.gz CSMRSPUCYXFOIP-WBMJQRKESA-N -1 0 347.436 3.581 20 0 EHADRM Cc1cccc(OCCCCC(=O)N[C@@H](C(=O)[O-])c2cccs2)c1 ZINC000448997139 939206781 /nfs/dbraw/zinc/20/67/81/939206781.db2.gz UCLIEHUQQFQOLZ-QGZVFWFLSA-N -1 0 347.436 3.548 20 0 EHADRM CCC[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(OC(F)F)cc1)C(C)C ZINC000450514433 939207842 /nfs/dbraw/zinc/20/78/42/939207842.db2.gz ZWWJYMVYFUQUFI-UONOGXRCSA-N -1 0 343.370 3.602 20 0 EHADRM Cc1ccc(/C=C/CC(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000832927739 939221262 /nfs/dbraw/zinc/22/12/62/939221262.db2.gz JWJMNXWVJHAIQM-ZMUQKWFASA-N -1 0 345.345 3.619 20 0 EHADRM Cc1ccccc1NC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000515964866 939242116 /nfs/dbraw/zinc/24/21/16/939242116.db2.gz NAKHTNJSUZMRNC-CQSZACIVSA-N -1 0 336.750 3.735 20 0 EHADRM CCSc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2cccs2)c1 ZINC000516531700 939244652 /nfs/dbraw/zinc/24/46/52/939244652.db2.gz HPTDZKBXHWUFNW-CYBMUJFWSA-N -1 0 336.438 3.808 20 0 EHADRM CC(C)(C)OC(=O)N[C@@](C)(C(=O)[O-])c1ccc(-c2ccoc2)cc1 ZINC000863974319 939246268 /nfs/dbraw/zinc/24/62/68/939246268.db2.gz YVFZNGGTAGYZSD-GOSISDBHSA-N -1 0 331.368 3.771 20 0 EHADRM CSCc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2cccs2)c1 ZINC000519581775 939252431 /nfs/dbraw/zinc/25/24/31/939252431.db2.gz RRPBNBLNYQHFEJ-CYBMUJFWSA-N -1 0 336.438 3.559 20 0 EHADRM Cc1ccc(C)c(CC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000537366366 939266221 /nfs/dbraw/zinc/26/62/21/939266221.db2.gz PNVGXLLBALJSGG-KRWDZBQOSA-N -1 0 349.789 3.581 20 0 EHADRM Cc1cc(OC(C)C)ccc1NC(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000900330492 939275230 /nfs/dbraw/zinc/27/52/30/939275230.db2.gz AMLIELREMIQJDC-HNNXBMFYSA-N -1 0 348.424 3.791 20 0 EHADRM CN(C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1)C1CCCC1 ZINC000554702958 939300795 /nfs/dbraw/zinc/30/07/95/939300795.db2.gz RNGWUYXGNDTEIO-KRWDZBQOSA-N -1 0 326.396 3.550 20 0 EHADRM CCC[C@H](Cc1ccccc1)NC(=O)N[C@H](C(=O)[O-])c1ccsc1 ZINC000555843602 939303486 /nfs/dbraw/zinc/30/34/86/939303486.db2.gz PGQUDFBWCQBICJ-CVEARBPZSA-N -1 0 346.452 3.584 20 0 EHADRM CC[C@@](NC(=O)c1cc(C)c(C)o1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000560447435 939318096 /nfs/dbraw/zinc/31/80/96/939318096.db2.gz VTTPHACMGKBXQX-KRWDZBQOSA-N -1 0 335.787 3.670 20 0 EHADRM CC(C)[C@@H](CNC(=O)N[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000563912940 939342042 /nfs/dbraw/zinc/34/20/42/939342042.db2.gz QFRDUHOKWVXVHN-MSOLQXFVSA-N -1 0 340.423 3.551 20 0 EHADRM CC(C)OCc1cccc(NC(=O)NC2(C(=O)[O-])CCCCCC2)c1 ZINC000566047296 939353777 /nfs/dbraw/zinc/35/37/77/939353777.db2.gz BDTUVABZYBQFQC-UHFFFAOYSA-N -1 0 348.443 3.911 20 0 EHADRM CCC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000570423835 939383353 /nfs/dbraw/zinc/38/33/53/939383353.db2.gz OXZKOZLXKPLNKA-ROUUACIJSA-N -1 0 340.423 3.523 20 0 EHADRM Cc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(C)c(C)c2)cc1C ZINC000575197434 939732463 /nfs/dbraw/zinc/73/24/63/939732463.db2.gz MKGPCEFRUOOPPC-KRWDZBQOSA-N -1 0 326.396 3.868 20 0 EHADRM Cc1cc([C@H](NC(=O)Nc2ccc3[nH]ccc3c2)C(=O)[O-])ccc1F ZINC000577046075 939743757 /nfs/dbraw/zinc/74/37/57/939743757.db2.gz QJJFEAGIUJPUTN-INIZCTEOSA-N -1 0 341.342 3.563 20 0 EHADRM O=C([O-])[C@H](NC(=O)C1CC2(CC2(F)F)C1)c1cccc2ccccc21 ZINC000910937413 939761410 /nfs/dbraw/zinc/76/14/10/939761410.db2.gz RRQUGZCSXJSYAQ-HBSPSFQMSA-N -1 0 345.345 3.517 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccnc2)cc1Cl ZINC000910993856 939766312 /nfs/dbraw/zinc/76/63/12/939766312.db2.gz SISISYOPIVLYST-OAHLLOKOSA-N -1 0 346.814 3.588 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1ccc(OCC2CC2)cc1)C1CCCCC1 ZINC000581090644 939775769 /nfs/dbraw/zinc/77/57/69/939775769.db2.gz RXFFTLHOVAQCTP-KRWDZBQOSA-N -1 0 346.427 3.630 20 0 EHADRM CCC[C@H](C(=O)NC1(C(=O)[O-])CCC(CC)CC1)c1ccccn1 ZINC000630145497 939812512 /nfs/dbraw/zinc/81/25/12/939812512.db2.gz USFNRQAPXUGILJ-HVEKOLDVSA-N -1 0 332.444 3.505 20 0 EHADRM CC(C)Oc1ccc([C@H](C)NC(=O)[C@@H](C(=O)[O-])C2CCCC2)cc1 ZINC000663065914 939852136 /nfs/dbraw/zinc/85/21/36/939852136.db2.gz GCSRAPIBYMGKEQ-GUYCJALGSA-N -1 0 333.428 3.542 20 0 EHADRM CC(C)Oc1cccc([C@H](C)NC(=O)[C@H](C(=O)[O-])C2CCCC2)c1 ZINC000663087383 939853754 /nfs/dbraw/zinc/85/37/54/939853754.db2.gz YQEGETNVMCNGDB-SUMWQHHRSA-N -1 0 333.428 3.542 20 0 EHADRM CCN(C(=O)N[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl)C(C)C ZINC000663293270 939860441 /nfs/dbraw/zinc/86/04/41/939860441.db2.gz CPSVXEMTCBHPGW-GFCCVEGCSA-N -1 0 333.215 3.559 20 0 EHADRM CC[C@@](NC(=O)c1c(C)oc(C)c1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000671667527 939863682 /nfs/dbraw/zinc/86/36/82/939863682.db2.gz XATJWLRMLJZQNO-SFHVURJKSA-N -1 0 349.814 3.978 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000675980287 939864746 /nfs/dbraw/zinc/86/47/46/939864746.db2.gz NMJJYJBANJSGEE-KUHUBIRLSA-N -1 0 343.448 3.531 20 0 EHADRM O=C([O-])[C@]1(NC(=O)Nc2ccc(F)c(Cl)c2)CCc2ccccc21 ZINC000683921802 939871237 /nfs/dbraw/zinc/87/12/37/939871237.db2.gz BYHXMKINGZTMQJ-KRWDZBQOSA-N -1 0 348.761 3.527 20 0 EHADRM O=C([O-])CC1CCN(C(=O)Nc2ccccc2SC(F)F)CC1 ZINC000321621846 970790295 /nfs/dbraw/zinc/79/02/95/970790295.db2.gz YECIKLQNMCNNJR-UHFFFAOYSA-N -1 0 344.383 3.720 20 0 EHADRM CC1(CNC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CCCCC1 ZINC000321643264 970793315 /nfs/dbraw/zinc/79/33/15/970793315.db2.gz KBMGNZORQBLWKR-UHFFFAOYSA-N -1 0 326.343 3.755 20 0 EHADRM Cc1ccc(CN(C)C(=O)Nc2cccc(CCC(=O)[O-])c2)s1 ZINC001600408754 970804492 /nfs/dbraw/zinc/80/44/92/970804492.db2.gz BQUHOLPUGVTNKZ-UHFFFAOYSA-N -1 0 332.425 3.738 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)s1 ZINC000322000155 970835384 /nfs/dbraw/zinc/83/53/84/970835384.db2.gz MDLVJLGEOSAMNL-QMMMGPOBSA-N -1 0 340.351 3.916 20 0 EHADRM C[C@@H]1CCC[C@@H](N(C)C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C1 ZINC000322037017 970838967 /nfs/dbraw/zinc/83/89/67/970838967.db2.gz FYRGAVGRZWPIFH-MWLCHTKSSA-N -1 0 326.343 3.705 20 0 EHADRM C[C@H](Cc1ccccc1Cl)NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000322060331 970841777 /nfs/dbraw/zinc/84/17/77/970841777.db2.gz CNFTUBFLFJWAQV-CYBMUJFWSA-N -1 0 337.847 3.812 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2cccc(C(F)(F)F)c2)CCCC1 ZINC000322056239 970842204 /nfs/dbraw/zinc/84/22/04/970842204.db2.gz XVASOBZEHMXETJ-UHFFFAOYSA-N -1 0 330.306 3.614 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000322143838 970852430 /nfs/dbraw/zinc/85/24/30/970852430.db2.gz RRZJOCOCUXQLJB-DTWKUNHWSA-N -1 0 333.281 3.831 20 0 EHADRM CS[C@@H](C)CCC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001611083405 970884999 /nfs/dbraw/zinc/88/49/99/970884999.db2.gz LLDGJDWNSSNZTK-ZDUSSCGKSA-N -1 0 335.469 3.623 20 0 EHADRM Cc1ccc(NC(=O)OC(C)(C)C)cc1-c1nc([C@@H](C)C(=O)[O-])no1 ZINC001611186156 970928982 /nfs/dbraw/zinc/92/89/82/970928982.db2.gz PEKOWNLCKRYXPK-SNVBAGLBSA-N -1 0 347.371 3.580 20 0 EHADRM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000323459353 971007243 /nfs/dbraw/zinc/00/72/43/971007243.db2.gz VSRWSRCQGCEMRS-KXUCPTDWSA-N -1 0 326.343 3.561 20 0 EHADRM COc1cc(Cl)ccc1C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC000323917833 971057612 /nfs/dbraw/zinc/05/76/12/971057612.db2.gz MVWUWFPWUQVKRV-CQSZACIVSA-N -1 0 339.819 3.502 20 0 EHADRM O=C([O-])/C=C\c1ccc(Oc2ccc3c(c2)CCC3)c([N+](=O)[O-])c1 ZINC000323898796 971054822 /nfs/dbraw/zinc/05/48/22/971054822.db2.gz PGEMIRDRPJIIEZ-UITAMQMPSA-N -1 0 325.320 3.974 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2ccc(F)cc2C(=O)[O-])cc1 ZINC000323921688 971058744 /nfs/dbraw/zinc/05/87/44/971058744.db2.gz VMGQPZYAZLMUGV-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM CC(C)Oc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)cc1 ZINC000323981385 971070231 /nfs/dbraw/zinc/07/02/31/971070231.db2.gz YTLZZAHAQIVEKA-UHFFFAOYSA-N -1 0 345.420 3.975 20 0 EHADRM Cc1ccccc1N(CCC(=O)[O-])C(=O)c1ccc2ncsc2c1 ZINC000324182109 971094223 /nfs/dbraw/zinc/09/42/23/971094223.db2.gz HZJRNVPYNDRBPA-UHFFFAOYSA-N -1 0 340.404 3.726 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc(OCC(=O)[O-])c1)c1cccc(Cl)c1 ZINC000324378531 971114636 /nfs/dbraw/zinc/11/46/36/971114636.db2.gz KZJTYRBLDVFENO-LLVKDONJSA-N -1 0 348.786 3.686 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2ccc3ccccc3c2O)c1 ZINC000324445476 971121729 /nfs/dbraw/zinc/12/17/29/971121729.db2.gz FUCRUBXMIZBHHY-UHFFFAOYSA-N -1 0 325.295 3.635 20 0 EHADRM O=C([O-])CC1(Cc2nnc(CCCc3ccccc3)o2)CCCC1 ZINC000324461564 971122666 /nfs/dbraw/zinc/12/26/66/971122666.db2.gz GTCMFDYSSMLPAD-UHFFFAOYSA-N -1 0 328.412 3.823 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2CCc3ccccc3C2)cc1Cl ZINC000324482795 971124887 /nfs/dbraw/zinc/12/48/87/971124887.db2.gz GQRAYRAHFCIADX-CYBMUJFWSA-N -1 0 329.783 3.782 20 0 EHADRM Cc1ccccc1[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000324499054 971127086 /nfs/dbraw/zinc/12/70/86/971127086.db2.gz KMMTXCFDFYOSDY-SNVBAGLBSA-N -1 0 334.322 3.854 20 0 EHADRM C[C@@H](c1ccccc1)N(C)C(=O)COc1cc(Cl)ccc1C(=O)[O-] ZINC000324580391 971134879 /nfs/dbraw/zinc/13/48/79/971134879.db2.gz GAMYAEFQOWXSJS-LBPRGKRZSA-N -1 0 347.798 3.637 20 0 EHADRM O=C([O-])c1cccc(-c2nnc(-c3cccc(OC(F)F)c3)o2)c1 ZINC000324614573 971139414 /nfs/dbraw/zinc/13/94/14/971139414.db2.gz YLJOFFOTJZSXTM-UHFFFAOYSA-N -1 0 332.262 3.703 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000324627849 971140701 /nfs/dbraw/zinc/14/07/01/971140701.db2.gz SXQZDMRHZZOEPQ-UHFFFAOYSA-N -1 0 341.260 3.724 20 0 EHADRM Cc1c(NC(=O)c2ccc(OC(F)(F)F)cc2)cccc1C(=O)[O-] ZINC000324778836 971156250 /nfs/dbraw/zinc/15/62/50/971156250.db2.gz HDBOGTPGVVNXEU-UHFFFAOYSA-N -1 0 339.269 3.844 20 0 EHADRM N#Cc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2)cc1C(F)(F)F ZINC000325163801 971190377 /nfs/dbraw/zinc/19/03/77/971190377.db2.gz IPOFXZMCQHILTH-UHFFFAOYSA-N -1 0 334.253 3.528 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2ccccc2OC(F)F)c1 ZINC000325342825 971206136 /nfs/dbraw/zinc/20/61/36/971206136.db2.gz CSHUBNOPGAVMKK-UHFFFAOYSA-N -1 0 335.306 3.558 20 0 EHADRM CC(C)Oc1ccc(NC(=O)NCC2(C(=O)[O-])CCCCC2)cc1 ZINC000325352872 971206711 /nfs/dbraw/zinc/20/67/11/971206711.db2.gz FVSXTXXFSVVHJR-UHFFFAOYSA-N -1 0 334.416 3.630 20 0 EHADRM Cc1cccc(OCCC(=O)Nc2c(F)cccc2C(=O)[O-])c1C ZINC000325782655 971242799 /nfs/dbraw/zinc/24/27/99/971242799.db2.gz MEYTZCJWOYMSHC-UHFFFAOYSA-N -1 0 331.343 3.548 20 0 EHADRM COc1cc(NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)ccc1Cl ZINC000325956247 971257344 /nfs/dbraw/zinc/25/73/44/971257344.db2.gz NSBAUQSALJJIRH-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM Cc1sc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c(C(=O)[O-])c1C ZINC000325980375 971259952 /nfs/dbraw/zinc/25/99/52/971259952.db2.gz HZZDOXLUVRMRHT-SECBINFHSA-N -1 0 348.380 3.714 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)c1cccc(C(F)(F)F)c1 ZINC000326403723 971289843 /nfs/dbraw/zinc/28/98/43/971289843.db2.gz NITPHTSJLFPISZ-AWEZNQCLSA-N -1 0 343.345 3.859 20 0 EHADRM COc1ccc(C(=O)[O-])c(OCc2coc(-c3cccc(F)c3)n2)c1 ZINC000326457891 971294931 /nfs/dbraw/zinc/29/49/31/971294931.db2.gz FTZMIUTWEMICSW-UHFFFAOYSA-N -1 0 343.310 3.767 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])cc1 ZINC000326461379 971295839 /nfs/dbraw/zinc/29/58/39/971295839.db2.gz GLKHHOQLXCTLPJ-SFHVURJKSA-N -1 0 337.419 3.808 20 0 EHADRM CC(C)COc1ccc(C(=O)NCC2(CC(=O)[O-])CCCCC2)cc1 ZINC000326580937 971305850 /nfs/dbraw/zinc/30/58/50/971305850.db2.gz AYPHNSBGGFOEFF-UHFFFAOYSA-N -1 0 347.455 3.876 20 0 EHADRM N#Cc1ccc(OCCOc2ccc(/C=C/C(=O)[O-])cc2)c(Cl)c1 ZINC000326611055 971309725 /nfs/dbraw/zinc/30/97/25/971309725.db2.gz OOPYMEYFRYWYNL-XBXARRHUSA-N -1 0 343.766 3.767 20 0 EHADRM Cc1ccccc1N(CCC(=O)[O-])C(=O)CCCOc1ccccc1 ZINC000326622232 971310717 /nfs/dbraw/zinc/31/07/17/971310717.db2.gz PEUUHKHZGGSASU-UHFFFAOYSA-N -1 0 341.407 3.662 20 0 EHADRM CCCCc1ccc(CC(=O)NCCc2ccc(C(=O)[O-])cc2)cc1 ZINC000326764474 971325770 /nfs/dbraw/zinc/32/57/70/971325770.db2.gz PBSQIYSHLAYSSC-UHFFFAOYSA-N -1 0 339.435 3.629 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)Cc2ccc3c(c2)CCCC3)cc1F ZINC000326921893 971345403 /nfs/dbraw/zinc/34/54/03/971345403.db2.gz QEJKNCNGJLBXJZ-UHFFFAOYSA-N -1 0 345.345 3.723 20 0 EHADRM CC(C)COc1ccc(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)cc1 ZINC000326929740 971346614 /nfs/dbraw/zinc/34/66/14/971346614.db2.gz SHRHHRBEGPEASY-UHFFFAOYSA-N -1 0 349.333 3.950 20 0 EHADRM COc1ccc(NC(=O)c2oc3ccc(F)cc3c2C)c(C(=O)[O-])c1 ZINC000326992259 971354430 /nfs/dbraw/zinc/35/44/30/971354430.db2.gz YRFPUEABLKXDFW-UHFFFAOYSA-N -1 0 343.310 3.839 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)c2ccc(F)c3ccccc23)c1 ZINC000327501249 971404679 /nfs/dbraw/zinc/40/46/79/971404679.db2.gz AFZLBKZGPBXKNK-UHFFFAOYSA-N -1 0 339.322 3.695 20 0 EHADRM O=C([O-])c1ccc([N+](=O)[O-])c(OCc2ccc(F)c3cccnc23)c1 ZINC000327696465 971419757 /nfs/dbraw/zinc/41/97/57/971419757.db2.gz VGOMWIFPKKPEEL-UHFFFAOYSA-N -1 0 342.282 3.559 20 0 EHADRM O=C([O-])c1cccc(CSc2nnc(NCc3ccco3)s2)c1 ZINC000013220798 948777989 /nfs/dbraw/zinc/77/79/89/948777989.db2.gz CFDXVPKZAOAMJP-UHFFFAOYSA-N -1 0 347.421 3.734 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)cc1 ZINC000013404901 948780547 /nfs/dbraw/zinc/78/05/47/948780547.db2.gz FHGPSKQJJULJLN-UHFFFAOYSA-N -1 0 339.269 3.578 20 0 EHADRM Cc1ccc(SCCC(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1 ZINC000336876856 971515533 /nfs/dbraw/zinc/51/55/33/971515533.db2.gz KVOYMPKJYXFDMJ-UHFFFAOYSA-N -1 0 345.420 3.579 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)c1ccccc1C(F)(F)F ZINC000336878913 971516754 /nfs/dbraw/zinc/51/67/54/971516754.db2.gz JTVLEKYVLLYHFP-AWEZNQCLSA-N -1 0 343.345 3.859 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)cc1 ZINC000342868874 971518665 /nfs/dbraw/zinc/51/86/65/971518665.db2.gz ZCSZIXQPXRWTKB-UHFFFAOYSA-N -1 0 349.386 3.730 20 0 EHADRM CCCC[C@H](NC(=O)c1ccccc1Oc1ccccc1)C(=O)[O-] ZINC000345213324 971518783 /nfs/dbraw/zinc/51/87/83/971518783.db2.gz PRNDZPSDBMHCNG-INIZCTEOSA-N -1 0 327.380 3.852 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000346001801 971520623 /nfs/dbraw/zinc/52/06/23/971520623.db2.gz VYEVGRYERHGEPR-DOPJRALCSA-N -1 0 325.408 3.655 20 0 EHADRM CCCC[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3)C(=O)[O-] ZINC000347368503 971524869 /nfs/dbraw/zinc/52/48/69/971524869.db2.gz QWGFFSWHJSGGSX-XIKOKIGWSA-N -1 0 342.439 3.666 20 0 EHADRM CN(Cc1csc2ccccc12)C(=O)Cc1ccccc1C(=O)[O-] ZINC000347380003 971525027 /nfs/dbraw/zinc/52/50/27/971525027.db2.gz UWRCOPIWJBZVTH-UHFFFAOYSA-N -1 0 339.416 3.801 20 0 EHADRM CCC[C@@H](NC(=O)c1cc(C2CC2)nc2ccc(Cl)cc21)C(=O)[O-] ZINC000347385470 971525211 /nfs/dbraw/zinc/52/52/11/971525211.db2.gz OPSBUDLYXFJJDS-OAHLLOKOSA-N -1 0 346.814 3.749 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2c3c(nc4ccccc42)CCC3)cc1 ZINC000347732979 971526268 /nfs/dbraw/zinc/52/62/68/971526268.db2.gz LKOJOZYCXVEDIK-UHFFFAOYSA-N -1 0 346.386 3.603 20 0 EHADRM Cn1c2ccccc2c(Cl)c1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000347743548 971526445 /nfs/dbraw/zinc/52/64/45/971526445.db2.gz UMXBQAWKXCVRFA-UHFFFAOYSA-N -1 0 342.782 3.711 20 0 EHADRM Cc1nn(C)c2sc(C(=O)Nc3cc(C(=O)[O-])c(C)cc3C)cc12 ZINC000349512131 971527934 /nfs/dbraw/zinc/52/79/34/971527934.db2.gz WONKNGVJQKHVEC-UHFFFAOYSA-N -1 0 343.408 3.511 20 0 EHADRM CC[C@H](OC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1)C(C)(C)c1ccccc1 ZINC001589580286 949009916 /nfs/dbraw/zinc/00/99/16/949009916.db2.gz XKVGNRDLBVUOCC-UAGQMJEPSA-N -1 0 348.439 3.556 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)c(F)c1 ZINC000358612767 971532764 /nfs/dbraw/zinc/53/27/64/971532764.db2.gz QWUXPSZUHAPQNG-INIZCTEOSA-N -1 0 331.318 3.640 20 0 EHADRM Cc1cc(C)cc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])c1 ZINC000362533171 971536176 /nfs/dbraw/zinc/53/61/76/971536176.db2.gz LDAGWVLEMDQPJW-MRXNPFEDSA-N -1 0 325.408 3.667 20 0 EHADRM CC[C@@H](Sc1nnc(-c2ccc(N(CC)CC)cc2)o1)C(=O)[O-] ZINC001589586872 949059558 /nfs/dbraw/zinc/05/95/58/949059558.db2.gz YZOJKILORBEEJD-CYBMUJFWSA-N -1 0 335.429 3.538 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Cc2ccc(CC(C)C)cc2)C1 ZINC001589593422 949116910 /nfs/dbraw/zinc/11/69/10/949116910.db2.gz ZLABDXWYNSAZCQ-FQEVSTJZSA-N -1 0 331.456 3.531 20 0 EHADRM CC(C)C[C@H](CNC(=O)N[C@H](C)c1ccc(Cl)s1)C(=O)[O-] ZINC000094705492 949182003 /nfs/dbraw/zinc/18/20/03/949182003.db2.gz BGKFVJCNOXHOTQ-NXEZZACHSA-N -1 0 332.853 3.509 20 0 EHADRM CC[C@@H]1CCCC[C@H]1N(C)C(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001589620955 949408931 /nfs/dbraw/zinc/40/89/31/949408931.db2.gz DPYRDULHUAXJFT-ARFHVFGLSA-N -1 0 326.481 3.734 20 0 EHADRM CC[C@H]1CCc2c(sc(NC(=O)c3coc(C)n3)c2C(=O)[O-])C1 ZINC001589624921 949462648 /nfs/dbraw/zinc/46/26/48/949462648.db2.gz PQUDJLTZNXRLOQ-VIFPVBQESA-N -1 0 334.397 3.510 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)s1 ZINC000220268863 949558383 /nfs/dbraw/zinc/55/83/83/949558383.db2.gz SIKZMDQGRIWNLD-BPOWMSRESA-N -1 0 327.833 3.661 20 0 EHADRM Cc1csc(CNC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000379058509 971595902 /nfs/dbraw/zinc/59/59/02/971595902.db2.gz OMYBWTLFHQXOEJ-UHFFFAOYSA-N -1 0 332.425 3.740 20 0 EHADRM CCCC[C@@H](CCC)NC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001589641574 949694807 /nfs/dbraw/zinc/69/48/07/949694807.db2.gz UZATVMBUCSXYFX-VQIMIIECSA-N -1 0 334.460 3.687 20 0 EHADRM CCCCN1CCc2ccc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc21 ZINC001589650464 949775456 /nfs/dbraw/zinc/77/54/56/949775456.db2.gz OVCQJQMZKVXFEO-INIZCTEOSA-N -1 0 332.444 3.535 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Oc2ccc(Cl)c(Br)c2)C1 ZINC001595277542 949936687 /nfs/dbraw/zinc/93/66/87/949936687.db2.gz GVTSKXCLWYZLRV-SFYZADRCSA-N -1 0 347.592 3.509 20 0 EHADRM CCCCc1ccc(CC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000236895159 949942053 /nfs/dbraw/zinc/94/20/53/949942053.db2.gz TWYOHTQPKKGEHK-SFHVURJKSA-N -1 0 331.456 3.675 20 0 EHADRM COc1cc(C2(C(=O)Nc3ccc(C(=O)[O-])c(C)c3)CC2)ccc1C ZINC000237290929 949956890 /nfs/dbraw/zinc/95/68/90/949956890.db2.gz KYBLZCDYUHWRRN-UHFFFAOYSA-N -1 0 339.391 3.681 20 0 EHADRM CCCN(Cc1ccc(C)cc1)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001589674181 949970565 /nfs/dbraw/zinc/97/05/65/949970565.db2.gz BPBLQTBLTBPMDV-UHFFFAOYSA-N -1 0 327.384 3.532 20 0 EHADRM CCCOc1ccc(NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)cc1Cl ZINC001589681586 950052864 /nfs/dbraw/zinc/05/28/64/950052864.db2.gz UVKQSBLVGICTHC-MRXNPFEDSA-N -1 0 325.792 3.568 20 0 EHADRM CCCc1cc(=O)oc2cc(OC(=O)C(CC)(CC)C(=O)[O-])ccc12 ZINC001589689032 950100379 /nfs/dbraw/zinc/10/03/79/950100379.db2.gz HUWNGXFHRJUQOO-UHFFFAOYSA-N -1 0 346.379 3.542 20 0 EHADRM CCCc1cc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)no1 ZINC001589689091 950102835 /nfs/dbraw/zinc/10/28/35/950102835.db2.gz LTUWMDFUTNLUPR-UHFFFAOYSA-N -1 0 334.397 3.518 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)c1ccc(-c2ccccc2Cl)o1)C1CC1 ZINC000262397203 950116150 /nfs/dbraw/zinc/11/61/50/950116150.db2.gz GTUHTONXOGQORC-SNVBAGLBSA-N -1 0 333.771 3.678 20 0 EHADRM C[C@@H](CC(=O)NC1CCC(C(=O)[O-])CC1)Cc1ccc(Cl)cc1 ZINC000262477760 950130940 /nfs/dbraw/zinc/13/09/40/950130940.db2.gz CISVEYDPKGNFCO-XEBKBJJBSA-N -1 0 337.847 3.668 20 0 EHADRM CN(CCC(=O)[O-])C(=O)CSc1cccc2cccc(Cl)c21 ZINC000262923164 950190081 /nfs/dbraw/zinc/19/00/81/950190081.db2.gz VQLXGCCIMYFFCS-UHFFFAOYSA-N -1 0 337.828 3.518 20 0 EHADRM CC(C)(C)CCCOc1cc(-c2nn[nH]n2)ccc1Br ZINC001573845153 950220546 /nfs/dbraw/zinc/22/05/46/950220546.db2.gz SYKQOHYGPNRLSG-UHFFFAOYSA-N -1 0 339.237 3.834 20 0 EHADRM CCN(C(=O)[C@@H]1CC[C@H]1C(=O)[O-])C(c1ccccc1)c1ccccc1 ZINC001589704576 950266020 /nfs/dbraw/zinc/26/60/20/950266020.db2.gz BWKLCFMEOXBJFU-QZTJIDSGSA-N -1 0 337.419 3.735 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)NCCC(C)(C)C(=O)[O-] ZINC000263135387 950286381 /nfs/dbraw/zinc/28/63/81/950286381.db2.gz WEWRCZOHPSZSSN-UHFFFAOYSA-N -1 0 329.849 3.683 20 0 EHADRM C[C@H](C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C)c1ccc2ccccc2c1 ZINC000263140353 950288461 /nfs/dbraw/zinc/28/84/61/950288461.db2.gz GPZQBQJERNRBPJ-GLJUWKHASA-N -1 0 325.408 3.655 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N(CC2CC2)C2CCCCC2)cc1 ZINC000263371445 950413650 /nfs/dbraw/zinc/41/36/50/950413650.db2.gz NBYYXMSCDVXFGL-UHFFFAOYSA-N -1 0 330.428 3.639 20 0 EHADRM O=C([O-])c1ccc(CNc2ccc(-c3nnc4n3CCCC4)cc2)cc1 ZINC000263455128 950473742 /nfs/dbraw/zinc/47/37/42/950473742.db2.gz HDRMAJCLCBDQEG-UHFFFAOYSA-N -1 0 348.406 3.592 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263461544 950473869 /nfs/dbraw/zinc/47/38/69/950473869.db2.gz IWILOHWDIFHBNI-SFHVURJKSA-N -1 0 340.423 3.548 20 0 EHADRM CC(C)(C)[C@@H]1CCc2nc(NC(=O)C3(C(=O)[O-])CC=CC3)sc2C1 ZINC001602854262 971701255 /nfs/dbraw/zinc/70/12/55/971701255.db2.gz AGXJQWHYESCNMM-LLVKDONJSA-N -1 0 348.468 3.654 20 0 EHADRM O=C([O-])CC1(C(=O)Nc2ccc(Oc3ccccc3F)nc2)CCC1 ZINC001594977027 950932632 /nfs/dbraw/zinc/93/26/32/950932632.db2.gz IELBUWRPZGANDX-UHFFFAOYSA-N -1 0 344.342 3.597 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc3c(s2)CC[C@H](C)C3)C1 ZINC000320497031 950990779 /nfs/dbraw/zinc/99/07/79/950990779.db2.gz XFSYDDPXJVYIKD-KPZWWZAWSA-N -1 0 335.469 3.590 20 0 EHADRM O=C([O-])c1cccc(CS(=O)(=O)c2ccc(Cl)cc2Cl)c1 ZINC000322610025 951032850 /nfs/dbraw/zinc/03/28/50/951032850.db2.gz SGODOSVYKZMSKK-UHFFFAOYSA-N -1 0 345.203 3.666 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)[C@@]1(C)CCc2ccccc2C1)C(=O)[O-] ZINC001602859434 971710876 /nfs/dbraw/zinc/71/08/76/971710876.db2.gz LDHAPQQUBWOKBT-JXFKEZNVSA-N -1 0 331.456 3.577 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)CCSCc1ccccc1 ZINC001595008116 951228741 /nfs/dbraw/zinc/22/87/41/951228741.db2.gz DNAQYKBGHIDRRI-MRXNPFEDSA-N -1 0 335.469 3.556 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)NCc1ccc(C2CC2)cc1F ZINC001595011650 951247144 /nfs/dbraw/zinc/24/71/44/951247144.db2.gz TXGPJFOXYJLOGN-INIZCTEOSA-N -1 0 348.418 3.632 20 0 EHADRM CCOc1c(Cl)cc(NC(=O)NC[C@H](CC)C(=O)[O-])cc1Cl ZINC001592009133 951290210 /nfs/dbraw/zinc/29/02/10/951290210.db2.gz HUOZZPGWAXILAZ-QMMMGPOBSA-N -1 0 349.214 3.624 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)Nc2cccc(C(F)F)c2)C1 ZINC000386266088 951295310 /nfs/dbraw/zinc/29/53/10/951295310.db2.gz XIOQZUVTHMSBQS-LLVKDONJSA-N -1 0 326.343 3.733 20 0 EHADRM CCOc1cc(F)ccc1NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001592211022 951311536 /nfs/dbraw/zinc/31/15/36/951311536.db2.gz FKMSBNQHBSOGAF-ZDUSSCGKSA-N -1 0 340.395 3.625 20 0 EHADRM CCOc1ccc(NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c(F)c1 ZINC001592691544 951351304 /nfs/dbraw/zinc/35/13/04/951351304.db2.gz LOONZARDNOEHDL-AWEZNQCLSA-N -1 0 340.395 3.625 20 0 EHADRM O=C([O-])CCCC(=O)Nc1cccc(CSc2ccccn2)c1 ZINC001595029116 951364238 /nfs/dbraw/zinc/36/42/38/951364238.db2.gz SNZWUKRPJAMGAK-UHFFFAOYSA-N -1 0 330.409 3.567 20 0 EHADRM O=C([O-])COc1ccc(C(=O)OCc2cc3ccccc3s2)cc1 ZINC001595118952 951960555 /nfs/dbraw/zinc/96/05/55/951960555.db2.gz DJOQRFAEXXYFGC-UHFFFAOYSA-N -1 0 342.372 3.722 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)[C@@H]2CCOc3ccccc32)c1Cl ZINC001595206381 952329051 /nfs/dbraw/zinc/32/90/51/952329051.db2.gz IWTNOKMDLVRQAA-SNVBAGLBSA-N -1 0 349.745 3.682 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(Cl)c3cccnc23)ccc1O ZINC001595209733 952359089 /nfs/dbraw/zinc/35/90/89/952359089.db2.gz VGUSAIABQQBRFJ-UHFFFAOYSA-N -1 0 342.738 3.544 20 0 EHADRM C[C@H]1CCC[C@H](C(=O)Nc2ccc(Br)cc2C(=O)[O-])C1 ZINC000383155307 971852065 /nfs/dbraw/zinc/85/20/65/971852065.db2.gz OZSTWFCVFSYZQJ-UWVGGRQHSA-N -1 0 340.217 3.912 20 0 EHADRM CC(C)(C)c1ccc(CCC(=O)Nc2cccnc2C(=O)[O-])cc1 ZINC001602923177 971885424 /nfs/dbraw/zinc/88/54/24/971885424.db2.gz TUDJMGSAPSCZLF-UHFFFAOYSA-N -1 0 326.396 3.649 20 0 EHADRM CC(C)(CCNC(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1)C(=O)[O-] ZINC001602940575 971907973 /nfs/dbraw/zinc/90/79/73/971907973.db2.gz FHCGQLVNFRPRQI-IAGOWNOFSA-N -1 0 346.471 3.588 20 0 EHADRM CCSCc1cccnc1NC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001593597810 953383236 /nfs/dbraw/zinc/38/32/36/953383236.db2.gz UBZGQMMIGARWLO-UHFFFAOYSA-N -1 0 330.409 3.594 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)NCC1(c2ccc(F)cc2F)CC1 ZINC001594746368 953391533 /nfs/dbraw/zinc/39/15/33/953391533.db2.gz VZKAGOMOXOXEFM-UHFFFAOYSA-N -1 0 346.333 3.516 20 0 EHADRM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000417755991 953417214 /nfs/dbraw/zinc/41/72/14/953417214.db2.gz CPMLSFDLLFFBNJ-LSDHHAIUSA-N -1 0 347.459 3.558 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)NC2CCC3(CCCCC3)CC2)C1 ZINC001589273863 953438874 /nfs/dbraw/zinc/43/88/74/953438874.db2.gz GKBYEEXHMHNFND-LSDHHAIUSA-N -1 0 336.476 3.632 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc(C(F)(F)F)cc2Cl)C1 ZINC001589274288 953445526 /nfs/dbraw/zinc/44/55/26/953445526.db2.gz CRFLQDSTHLVORS-DTWKUNHWSA-N -1 0 349.736 3.542 20 0 EHADRM C[C@@H](NC(=O)NCCC(C)(C)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000424394347 953460268 /nfs/dbraw/zinc/46/02/68/953460268.db2.gz XXHVDOSZZWUATG-SNVBAGLBSA-N -1 0 346.349 3.567 20 0 EHADRM C[C@H](c1ccc(C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1)C(F)(F)F ZINC001589275368 953465546 /nfs/dbraw/zinc/46/55/46/953465546.db2.gz ZWEZMHRTXYGYTN-JTNHKYCSSA-N -1 0 343.345 3.535 20 0 EHADRM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424401029 953465563 /nfs/dbraw/zinc/46/55/63/953465563.db2.gz XMBTWHOWWXHRFJ-UHFFFAOYSA-N -1 0 347.242 3.636 20 0 EHADRM Cc1ccc(CN(C(=O)NC[C@H](CC(C)C)C(=O)[O-])C(C)C)s1 ZINC000424423374 953479690 /nfs/dbraw/zinc/47/96/90/953479690.db2.gz NXIANYGWUGMFHW-AWEZNQCLSA-N -1 0 340.489 3.723 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1sc(-c2ccc(C)cc2)nc1C)C(=O)[O-] ZINC001593614146 953485335 /nfs/dbraw/zinc/48/53/35/953485335.db2.gz KORBSQNQNYBWPW-FZMZJTMJSA-N -1 0 346.452 3.656 20 0 EHADRM CCC(CC)(CNC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1)C(=O)[O-] ZINC000424435042 953486995 /nfs/dbraw/zinc/48/69/95/953486995.db2.gz URFYXSMEBWUDSE-GDBMZVCRSA-N -1 0 332.444 3.670 20 0 EHADRM C[C@@H](NC(=O)N[C@@H]1CCC(C)(C)C[C@H]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589284993 953554374 /nfs/dbraw/zinc/55/43/74/953554374.db2.gz QQNIEHMXCBBFBF-UXXRCYHCSA-N -1 0 338.492 3.636 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCCCCOc2ccc(Cl)cc2)cc1 ZINC000540667946 953573431 /nfs/dbraw/zinc/57/34/31/953573431.db2.gz PXHIPVMLURICTM-UHFFFAOYSA-N -1 0 347.798 3.627 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000538577137 953573477 /nfs/dbraw/zinc/57/34/77/953573477.db2.gz LWUFHCQVKDNGQM-UHFFFAOYSA-N -1 0 337.297 3.671 20 0 EHADRM CCc1cc(NC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)ccc1F ZINC001593634121 953599988 /nfs/dbraw/zinc/59/99/88/953599988.db2.gz MLQWFOKHGYSXTP-LJQANCHMSA-N -1 0 344.386 3.552 20 0 EHADRM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)o1 ZINC001593636673 953612381 /nfs/dbraw/zinc/61/23/81/953612381.db2.gz HSTYLSNZRKAUIR-TTZDDIAXSA-N -1 0 333.428 3.643 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)Nc1cccnc1C(=O)[O-] ZINC001589294364 953632397 /nfs/dbraw/zinc/63/23/97/953632397.db2.gz INALRLXBYVCIEJ-VNHYZAJKSA-N -1 0 339.395 3.578 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CNC(=O)Nc2cccc(CCC(=O)[O-])c2)o1 ZINC001589297075 953656300 /nfs/dbraw/zinc/65/63/00/953656300.db2.gz WWICNRFKUAFDEA-BLLLJJGKSA-N -1 0 342.395 3.742 20 0 EHADRM O=C([O-])CC1(C(=O)NCC2(c3cccs3)CCCCC2)CCC1 ZINC000570399540 953656487 /nfs/dbraw/zinc/65/64/87/953656487.db2.gz HADSFZPPMDRYBQ-UHFFFAOYSA-N -1 0 335.469 3.711 20 0 EHADRM CCC(CC)(CNC(=O)CCCc1ccc(SC)cc1)C(=O)[O-] ZINC000570844094 953658109 /nfs/dbraw/zinc/65/81/09/953658109.db2.gz ZKQOUJQNKPSRSO-UHFFFAOYSA-N -1 0 337.485 3.738 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N[C@@H](C2CCCC2)C(F)(F)F)c1 ZINC000573094586 953673310 /nfs/dbraw/zinc/67/33/10/953673310.db2.gz KGKAVNHFEIHAAQ-AWEZNQCLSA-N -1 0 344.333 3.556 20 0 EHADRM CCCn1ccc2cc(NC(=O)N[C@H](CC(C)C)C(=O)[O-])ccc21 ZINC000574067250 953675905 /nfs/dbraw/zinc/67/59/05/953675905.db2.gz IMKDRBPRWVTPMM-OAHLLOKOSA-N -1 0 331.416 3.672 20 0 EHADRM CCc1cncc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)c1 ZINC001593646893 953676157 /nfs/dbraw/zinc/67/61/57/953676157.db2.gz FCAYKNVDXOTCQY-UHFFFAOYSA-N -1 0 330.409 3.535 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Nc2ccc(C3CCC3)cn2)c1 ZINC000574297221 953678490 /nfs/dbraw/zinc/67/84/90/953678490.db2.gz CZBMRSWDRRYDNV-UHFFFAOYSA-N -1 0 325.368 3.620 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1ccccc1C(C)(F)F ZINC001589302830 953702419 /nfs/dbraw/zinc/70/24/19/953702419.db2.gz BHWLVNWVOKUDST-QWRGUYRKSA-N -1 0 326.343 3.515 20 0 EHADRM CCc1nc2ccc(C(=O)Nc3ccccc3C(=O)[O-])cc2nc1CC ZINC001593650638 953706952 /nfs/dbraw/zinc/70/69/52/953706952.db2.gz CMOAGRCRRDWROR-UHFFFAOYSA-N -1 0 349.390 3.705 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001589310489 953786644 /nfs/dbraw/zinc/78/66/44/953786644.db2.gz PLLDXWAPGOURMH-VNHYZAJKSA-N -1 0 333.432 3.610 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC001589310601 953789882 /nfs/dbraw/zinc/78/98/82/953789882.db2.gz TUZJXBJRVLRUGP-MRRJBJDNSA-N -1 0 349.427 3.506 20 0 EHADRM CCn1cc(CC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c2ccccc21 ZINC001593665104 953828480 /nfs/dbraw/zinc/82/84/80/953828480.db2.gz ITDMDXSUOGNIHQ-MRXNPFEDSA-N -1 0 344.455 3.599 20 0 EHADRM C[C@@H](NC(=O)N[C@@H](C)[C@H]1CCC[C@@H](C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589319978 953852116 /nfs/dbraw/zinc/85/21/16/953852116.db2.gz SHCNCILWSNUHBV-YUDUXTHKSA-N -1 0 338.492 3.636 20 0 EHADRM C[C@H]1CCCC[C@H]1CC(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001589320184 953854874 /nfs/dbraw/zinc/85/48/74/953854874.db2.gz WRQJEYMUVVOLTQ-QWRGUYRKSA-N -1 0 337.441 3.674 20 0 EHADRM CC(C)c1nc2cc(NC(=O)N3CC[C@H](C(=O)[O-])[C@@H](C)C3)ccc2o1 ZINC000630560180 953858522 /nfs/dbraw/zinc/85/85/22/953858522.db2.gz AEWIITMMHWNVLL-AAEUAGOBSA-N -1 0 345.399 3.526 20 0 EHADRM CN(C(=O)[C@@H](C(=O)[O-])C(C)(C)C)c1nc2cc(Cl)ccc2s1 ZINC001593676093 953928105 /nfs/dbraw/zinc/92/81/05/953928105.db2.gz JMJATMSYVIOAIW-NSHDSACASA-N -1 0 340.832 3.659 20 0 EHADRM CN(C(=O)C1(C(=O)[O-])CCCCC1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC001593676824 953938172 /nfs/dbraw/zinc/93/81/72/953938172.db2.gz WEZMGBCPFIYEFP-TXEJJXNPSA-N -1 0 335.366 3.601 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@@H]1C(=O)[O-] ZINC000647689546 953962120 /nfs/dbraw/zinc/96/21/20/953962120.db2.gz WHINVRNRKPBAKL-SCZZXKLOSA-N -1 0 331.199 3.568 20 0 EHADRM C[C@H]1CCN(C(=O)C2(c3cccc(F)c3)CCCCC2)C[C@H]1C(=O)[O-] ZINC001589335152 953986711 /nfs/dbraw/zinc/98/67/11/953986711.db2.gz CPOFRLSXQHFDKH-WMLDXEAASA-N -1 0 347.430 3.597 20 0 EHADRM CC[C@@H](CNC(=O)CCCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000649263874 953992400 /nfs/dbraw/zinc/99/24/00/953992400.db2.gz LZXDSQZDXCTJJQ-QMMMGPOBSA-N -1 0 338.256 3.605 20 0 EHADRM C[C@@H]1CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])c2cc(Cl)ccc2S1 ZINC001589344368 954040092 /nfs/dbraw/zinc/04/00/92/954040092.db2.gz LRLGGEKRWUYUFI-ADEWGFFLSA-N -1 0 339.844 3.668 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1nc(-c2ccc(Cl)s2)cs1)C1CC1 ZINC001594838092 954045455 /nfs/dbraw/zinc/04/54/55/954045455.db2.gz VFZUTJGJAYSCRV-SNVBAGLBSA-N -1 0 342.829 3.574 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(-c3cccs3)s2)C[C@@H]1C(=O)[O-] ZINC001589347854 954062762 /nfs/dbraw/zinc/06/27/62/954062762.db2.gz IMZCRIBBJUJBBV-QWRGUYRKSA-N -1 0 335.450 3.659 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2ccc(OC3CCC3)c(F)c2)CC=CCC1 ZINC000653302163 954112426 /nfs/dbraw/zinc/11/24/26/954112426.db2.gz JNDUSAQUFAJAFT-SFHVURJKSA-N -1 0 333.359 3.507 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000653317165 954141912 /nfs/dbraw/zinc/14/19/12/954141912.db2.gz MHROOMNDXYAOMB-PIGZYNQJSA-N -1 0 345.345 3.710 20 0 EHADRM C[C@]1(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)CCc2ccccc2C1 ZINC000653332886 954163900 /nfs/dbraw/zinc/16/39/00/954163900.db2.gz JOTCXKSQXSCVRZ-KNKQGSTJSA-N -1 0 349.430 3.611 20 0 EHADRM CC(=O)c1cc(NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])ccc1C ZINC000653488289 954178710 /nfs/dbraw/zinc/17/87/10/954178710.db2.gz LYNUJBGKVOSUKW-HNNXBMFYSA-N -1 0 334.416 3.599 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(F)c(Cl)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653533865 954181418 /nfs/dbraw/zinc/18/14/18/954181418.db2.gz KDQCOCWZHOZQDP-DVVUODLYSA-N -1 0 342.798 3.736 20 0 EHADRM COc1c(C)ccc(NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1C ZINC000653535323 954182836 /nfs/dbraw/zinc/18/28/36/954182836.db2.gz NSHWDZREVPHKEI-HZSPNIEDSA-N -1 0 348.443 3.569 20 0 EHADRM CC(C)[C@H](CNC(=O)Cc1csc2ccc(Cl)cc12)C(=O)[O-] ZINC000655564872 954204134 /nfs/dbraw/zinc/20/41/34/954204134.db2.gz TXVRQJQJQYTORL-ZDUSSCGKSA-N -1 0 339.844 3.570 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655579357 954217324 /nfs/dbraw/zinc/21/73/24/954217324.db2.gz NSZKTDJJFZGCCF-LUYZLQTOSA-N -1 0 349.446 3.646 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655584478 954227149 /nfs/dbraw/zinc/22/71/49/954227149.db2.gz KHDDSKGZZRJYFD-JIMOISOXSA-N -1 0 343.345 3.571 20 0 EHADRM Cc1ccc([C@H]2CCCCN2C(=O)NC[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000655893475 954274197 /nfs/dbraw/zinc/27/41/97/954274197.db2.gz NYJMEUCGVTVMSY-IAGOWNOFSA-N -1 0 332.444 3.588 20 0 EHADRM CC(C)C[C@]1(C)CCCN1C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655900084 954280702 /nfs/dbraw/zinc/28/07/02/954280702.db2.gz OHBVJEMWEHLVOH-ZTENYAIWSA-N -1 0 338.492 3.732 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@H]1c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655908662 954292988 /nfs/dbraw/zinc/29/29/88/954292988.db2.gz RNBICIRDTOBDNB-LLLHUVSDSA-N -1 0 344.455 3.669 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CCC1 ZINC001594869837 954341459 /nfs/dbraw/zinc/34/14/59/954341459.db2.gz LAUQMTRXHKMFKB-UHFFFAOYSA-N -1 0 336.347 3.688 20 0 EHADRM C[C@H]1CN(C(=O)c2cc3cccc(Cl)c3s2)CC[C@@H]1C(=O)[O-] ZINC001589393478 954353180 /nfs/dbraw/zinc/35/31/80/954353180.db2.gz YYRSSOCTVLUOKT-ONGXEEELSA-N -1 0 337.828 3.738 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc3nc(C4CC4)oc3c2)CCCCC1 ZINC001594870976 954354384 /nfs/dbraw/zinc/35/43/84/954354384.db2.gz IDOZLPMLKKNZDS-UHFFFAOYSA-N -1 0 328.368 3.679 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)CC12CCCCC2 ZINC000659761423 954362857 /nfs/dbraw/zinc/36/28/57/954362857.db2.gz ZWYWFHYWPLGPHZ-HNNXBMFYSA-N -1 0 345.439 3.583 20 0 EHADRM C[C@H]1CN(c2nccc3c(Br)cccc32)CC[C@H]1C(=O)[O-] ZINC000385713761 972010738 /nfs/dbraw/zinc/01/07/38/972010738.db2.gz LIZOUVBKRSAJLC-WDEREUQCSA-N -1 0 349.228 3.544 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2cccc(Oc3ccccc3)n2)CC=CCC1 ZINC001594878900 954400273 /nfs/dbraw/zinc/40/02/73/954400273.db2.gz XUAGMHMQTKIRBG-LJQANCHMSA-N -1 0 338.363 3.624 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000663076369 954452375 /nfs/dbraw/zinc/45/23/75/954452375.db2.gz OZHUUTXIMORKIZ-HNNXBMFYSA-N -1 0 329.318 3.621 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(c2cnc3ccccc3n2)CC1 ZINC000668168531 954565892 /nfs/dbraw/zinc/56/58/92/954565892.db2.gz AIXJJOHJGXRXFT-UHFFFAOYSA-N -1 0 333.391 3.712 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)CCc1ccccc1Br ZINC000681680938 954600073 /nfs/dbraw/zinc/60/00/73/954600073.db2.gz AQLHGINOHODSAB-UHFFFAOYSA-N -1 0 348.196 3.719 20 0 EHADRM CC(C)c1cc(C(=O)N2CCC(C)(C(=O)[O-])CC2)c2ccccc2n1 ZINC000683321587 954604719 /nfs/dbraw/zinc/60/47/19/954604719.db2.gz MXDKQGOIDMITJN-UHFFFAOYSA-N -1 0 340.423 3.685 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)N2CCCCCCCC2)c2ccccc21 ZINC001594899267 954606304 /nfs/dbraw/zinc/60/63/04/954606304.db2.gz BGZYZEZLOJMRHF-SJORKVTESA-N -1 0 330.428 3.665 20 0 EHADRM Cc1ccc(/C=C\CC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000685025286 954608436 /nfs/dbraw/zinc/60/84/36/954608436.db2.gz ZRCAOCXCEFWGPU-IZRJCCQOSA-N -1 0 337.419 3.557 20 0 EHADRM CC[C@H](C(=O)N(CC(=O)[O-])C1CCC1)c1cccc(C(F)(F)F)c1 ZINC001589426461 954627914 /nfs/dbraw/zinc/62/79/14/954627914.db2.gz KWIITGRTBJPHMB-AWEZNQCLSA-N -1 0 343.345 3.665 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)C(=O)C(C)(C)c1ccc(Cl)c(Cl)c1 ZINC001589430918 954647470 /nfs/dbraw/zinc/64/74/70/954647470.db2.gz RMGBAKMXJPCVRY-GFCCVEGCSA-N -1 0 332.227 3.593 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3cccnc3s2)c2ccccc21 ZINC001594927838 954821562 /nfs/dbraw/zinc/82/15/62/954821562.db2.gz MRVOGBAWYDKFLQ-CYBMUJFWSA-N -1 0 338.388 3.515 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)C2(C(=O)[O-])CCCCCC2)n1 ZINC001589464375 954887702 /nfs/dbraw/zinc/88/77/02/954887702.db2.gz OWZVNPZQBRTSGG-ZDUSSCGKSA-N -1 0 334.416 3.623 20 0 EHADRM CCC(CC)(CNC(=O)[C@@H](C)CSCc1ccccc1)C(=O)[O-] ZINC001589481657 954980253 /nfs/dbraw/zinc/98/02/53/954980253.db2.gz IPAGMBZZTQJWDJ-AWEZNQCLSA-N -1 0 337.485 3.563 20 0 EHADRM O=C([O-])[C@H]1CN(Cc2nccc(Cl)c2Cl)Cc2ccccc21 ZINC001594954937 954984445 /nfs/dbraw/zinc/98/44/45/954984445.db2.gz ILLLVCUZKXUUEC-LBPRGKRZSA-N -1 0 337.206 3.572 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1c2ccccc2C(C)(C)[C@@H]1C)C(=O)[O-] ZINC001603009001 972059235 /nfs/dbraw/zinc/05/92/35/972059235.db2.gz NXXQGNKIUWSSJE-UONOGXRCSA-N -1 0 332.444 3.629 20 0 EHADRM CCC(CC)(CNC(=O)N1CCC[C@@H]1Cc1ccc(C)cc1)C(=O)[O-] ZINC001589489038 955003691 /nfs/dbraw/zinc/00/36/91/955003691.db2.gz RWZCDOKPHBJBOB-QGZVFWFLSA-N -1 0 346.471 3.603 20 0 EHADRM CCC(CC)(CNC(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1)C(=O)[O-] ZINC001589489605 955013063 /nfs/dbraw/zinc/01/30/63/955013063.db2.gz ZIXFDIYKPGIKSB-SJORKVTESA-N -1 0 346.471 3.588 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1cccc(C(F)F)c1F ZINC001594962363 955023725 /nfs/dbraw/zinc/02/37/25/955023725.db2.gz CASCGWFDSYAVKO-HNNXBMFYSA-N -1 0 349.308 3.588 20 0 EHADRM CCC(CC)c1nnc(NC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)s1 ZINC001589512760 955052897 /nfs/dbraw/zinc/05/28/97/955052897.db2.gz OGSMMUWUXSMJTC-UHFFFAOYSA-N -1 0 339.461 3.517 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)NCc2ccc(-c3ccccc3)o2)co1 ZINC001594968089 955076298 /nfs/dbraw/zinc/07/62/98/955076298.db2.gz KDIBNZNRENNPFS-VQHVLOKHSA-N -1 0 337.331 3.567 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)O[C@H](c2ccccc2)c2ccccn2)co1 ZINC001594969910 955099524 /nfs/dbraw/zinc/09/95/24/955099524.db2.gz AAJKKAGVTGFUAN-JBVUFVISSA-N -1 0 349.342 3.719 20 0 EHADRM C[C@H](NC(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1)C(=O)[O-] ZINC000737674910 955223501 /nfs/dbraw/zinc/22/35/01/955223501.db2.gz FVETZBNAALCUAK-YAFRSCOQSA-N -1 0 347.773 3.609 20 0 EHADRM CC(C)CC[C@H]1CCCN1C(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001603021354 972079994 /nfs/dbraw/zinc/07/99/94/972079994.db2.gz ATCYGMIGXVBFOD-JKSUJKDBSA-N -1 0 326.481 3.734 20 0 EHADRM C[C@H](NC(=O)/C=C\c1ccc(-c2ccccc2Cl)s1)C(=O)[O-] ZINC000767110573 955317582 /nfs/dbraw/zinc/31/75/82/955317582.db2.gz ZZPZNCLSUVLWPR-RNKPRXRFSA-N -1 0 335.812 3.671 20 0 EHADRM CC(C)CN(C(=O)c1ccc(C(=O)[O-])cn1)c1cccc(Cl)c1 ZINC001603025708 972085542 /nfs/dbraw/zinc/08/55/42/972085542.db2.gz KZQLAAXAAYLDDC-UHFFFAOYSA-N -1 0 332.787 3.736 20 0 EHADRM CC(C)CON(CC1CCCCC1)C(=O)NCCC(C)(C)C(=O)[O-] ZINC001603030635 972091043 /nfs/dbraw/zinc/09/10/43/972091043.db2.gz HYICWTJXEIMNBJ-UHFFFAOYSA-N -1 0 342.480 3.667 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001589013865 955410417 /nfs/dbraw/zinc/41/04/17/955410417.db2.gz MZGKOORXDCZWLZ-KSSFIOAISA-N -1 0 343.398 3.727 20 0 EHADRM CC(C)C[C@H](CNC(=O)N(C)[C@H](C)C1CCCCC1)CC(=O)[O-] ZINC001603042254 972105429 /nfs/dbraw/zinc/10/54/29/972105429.db2.gz NIBLLNCMUHJFBM-CABCVRRESA-N -1 0 326.481 3.734 20 0 EHADRM O=C([O-])c1cccc(CNc2ccc(O[C@H]3CCCC[C@H]3O)cc2)c1 ZINC000840994798 955582902 /nfs/dbraw/zinc/58/29/02/955582902.db2.gz MYFZVQBKVRENAL-MOPGFXCFSA-N -1 0 341.407 3.679 20 0 EHADRM C[C@@H](CNC(=O)CCCCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001589043624 955600694 /nfs/dbraw/zinc/60/06/94/955600694.db2.gz FSBBHLXANPPOLD-JTQLQIEISA-N -1 0 332.227 3.543 20 0 EHADRM COc1ccc(N(Cc2cccs2)C(=O)CCCC(=O)[O-])cc1 ZINC000844251488 955669150 /nfs/dbraw/zinc/66/91/50/955669150.db2.gz NLOITNLLELMAEJ-UHFFFAOYSA-N -1 0 333.409 3.545 20 0 EHADRM CC(C)C[C@H](CNC(=O)/C=C/c1ccnc2ccccc12)CC(=O)[O-] ZINC000846124210 955687106 /nfs/dbraw/zinc/68/71/06/955687106.db2.gz NELCAFKDEMCUGE-KIUWMYQTSA-N -1 0 340.423 3.501 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(Cl)cc3ccccc32)CC[C@H]1C(=O)[O-] ZINC000851606919 955788650 /nfs/dbraw/zinc/78/86/50/955788650.db2.gz ZEDNBRJONORFMW-BXUZGUMPSA-N -1 0 331.799 3.676 20 0 EHADRM C[C@H](CSc1ccc(F)cc1)C(=O)NCc1ccccc1C(=O)[O-] ZINC001589076947 955828327 /nfs/dbraw/zinc/82/83/27/955828327.db2.gz KSPJKUUVLHWCOP-GFCCVEGCSA-N -1 0 347.411 3.569 20 0 EHADRM C[C@H](NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c1ccccc1C(F)(F)F ZINC000852947590 955865650 /nfs/dbraw/zinc/86/56/50/955865650.db2.gz PDESABTXNCHTMR-CABZTGNLSA-N -1 0 331.334 3.630 20 0 EHADRM C[C@H](NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c1cccc(OC(F)(F)F)c1 ZINC000852951690 955874912 /nfs/dbraw/zinc/87/49/12/955874912.db2.gz FRUJWUYTDWGHOV-CABZTGNLSA-N -1 0 347.333 3.509 20 0 EHADRM C[C@@H](Cn1ccc2ccccc21)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001589084203 955888785 /nfs/dbraw/zinc/88/87/85/955888785.db2.gz YIPZVHKUZWKBGH-HNNXBMFYSA-N -1 0 342.439 3.571 20 0 EHADRM O=C([O-])c1c(NC(=O)c2cccc(Cl)c2F)sc2c1CCC2 ZINC000387777898 972139305 /nfs/dbraw/zinc/13/93/05/972139305.db2.gz XPHWLJHURUOXCZ-UHFFFAOYSA-N -1 0 339.775 3.980 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc(C(=O)[O-])c1)c1ccc2c(c1)CCCO2 ZINC001589109437 956062671 /nfs/dbraw/zinc/06/26/71/956062671.db2.gz ZOXXMGPRZSKKDB-GFCCVEGCSA-N -1 0 340.379 3.593 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Nc1cccc(-c2ncco2)c1 ZINC000899312104 956282663 /nfs/dbraw/zinc/28/26/63/956282663.db2.gz RZWWKKFGGXECOL-HNNXBMFYSA-N -1 0 343.383 3.593 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@@]2(c3ccccc3)C[C@H](F)C2)c1 ZINC000901561625 956341450 /nfs/dbraw/zinc/34/14/50/956341450.db2.gz VAIAXWOCWISIQU-UKIBZPOASA-N -1 0 341.382 3.712 20 0 EHADRM C[C@@H](OC(=O)[C@]1(C(=O)[O-])CC=CCC1)c1ccc(C(F)(F)F)cn1 ZINC001589159107 956391826 /nfs/dbraw/zinc/39/18/26/956391826.db2.gz QZBBMBZNTKGSEM-MEBBXXQBSA-N -1 0 343.301 3.516 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)C1(C(=O)[O-])CCSCC1 ZINC000901628901 956392122 /nfs/dbraw/zinc/39/21/22/956392122.db2.gz DRAVKQDJOBMGHH-GFCCVEGCSA-N -1 0 347.436 3.516 20 0 EHADRM CC(C)c1nc2cc(NC(=O)Nc3cncc(C(=O)[O-])c3)ccc2o1 ZINC001603107218 972184862 /nfs/dbraw/zinc/18/48/62/972184862.db2.gz QZXVRTXDZJYIHK-UHFFFAOYSA-N -1 0 340.339 3.688 20 0 EHADRM C[C@@H](SCCC(=O)[O-])c1nc(Cc2ccc(Cl)cc2)no1 ZINC001589169010 956452085 /nfs/dbraw/zinc/45/20/85/956452085.db2.gz AYMDSVSZAZDPDW-SECBINFHSA-N -1 0 326.805 3.583 20 0 EHADRM Cc1ccc(N(Cc2cccs2)C(=O)[C@@H]2CC[C@H]2C(=O)[O-])cc1 ZINC000901784340 956466435 /nfs/dbraw/zinc/46/64/35/956466435.db2.gz APPXSXXTKJYONQ-HZPDHXFCSA-N -1 0 329.421 3.701 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C2(Cc3cccc(F)c3)CCCCC2)C1 ZINC001589188436 956579522 /nfs/dbraw/zinc/57/95/22/956579522.db2.gz NPBHOUBANNHUCA-LJQANCHMSA-N -1 0 347.430 3.642 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)c1cc(Cl)cc(Cl)c1F ZINC000901998753 956597041 /nfs/dbraw/zinc/59/70/41/956597041.db2.gz MJGYJKISGLFMNG-SECBINFHSA-N -1 0 334.174 3.602 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)CC[C@@H]2CCc3ccccc32)Cc2ccccc21 ZINC000902068355 956636876 /nfs/dbraw/zinc/63/68/76/956636876.db2.gz AASUGAHZEPBKCG-OXJNMPFZSA-N -1 0 349.430 3.707 20 0 EHADRM CC1(C)CN(C(=O)Cc2ccccc2C(=O)[O-])[C@H]1c1cccs1 ZINC000902095636 956649543 /nfs/dbraw/zinc/64/95/43/956649543.db2.gz CNJKRAGLBFASMK-INIZCTEOSA-N -1 0 329.421 3.599 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC001589206128 956666689 /nfs/dbraw/zinc/66/66/89/956666689.db2.gz UBYRYQQGYSKCLT-ZDUSSCGKSA-N -1 0 335.831 3.581 20 0 EHADRM O=C([O-])c1cccc(NC(=O)C[C@H]2OCc3cc(Cl)ccc32)c1 ZINC001594678850 956684264 /nfs/dbraw/zinc/68/42/64/956684264.db2.gz LASNQMZRLTYWAJ-OAHLLOKOSA-N -1 0 331.755 3.638 20 0 EHADRM CC1(C)CC(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC(C)(C)C1 ZINC001589213424 956715144 /nfs/dbraw/zinc/71/51/44/956715144.db2.gz GBKMCVGBSPHGRK-INIZCTEOSA-N -1 0 331.456 3.651 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCc2ccc(F)c3ccccc23)ccn1 ZINC001594687794 956719835 /nfs/dbraw/zinc/71/98/35/956719835.db2.gz KUGPXAAYWAKHKE-UHFFFAOYSA-N -1 0 338.338 3.643 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCc2cnc3ccccc3c2)c(F)c1 ZINC001594690357 956745793 /nfs/dbraw/zinc/74/57/93/956745793.db2.gz NRUFOXZWAFATTK-UHFFFAOYSA-N -1 0 338.338 3.643 20 0 EHADRM O=C([O-])CCCc1csc(NC(=O)c2ccc(Cl)c(F)c2)n1 ZINC000389194892 972211086 /nfs/dbraw/zinc/21/10/86/972211086.db2.gz WVXKWMKCXZSOEJ-UHFFFAOYSA-N -1 0 342.779 3.595 20 0 EHADRM CC1(C)CCc2cccc(NC(=O)[C@@H](C(=O)[O-])C3CCCC3)c2O1 ZINC001589227301 956810728 /nfs/dbraw/zinc/81/07/28/956810728.db2.gz VJWBDCYJGGGEAS-HNNXBMFYSA-N -1 0 331.412 3.620 20 0 EHADRM O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)[C@H]2CC23CCCC3)C1 ZINC000902826742 956818404 /nfs/dbraw/zinc/81/84/04/956818404.db2.gz VJLQQSUXNVILOW-GDBMZVCRSA-N -1 0 327.424 3.637 20 0 EHADRM O=C([O-])c1ccc(CNc2ccc(OC[C@H]3CCCO3)cc2)s1 ZINC000903673850 956854033 /nfs/dbraw/zinc/85/40/33/956854033.db2.gz KPZNGOYQCGGPAC-CQSZACIVSA-N -1 0 333.409 3.616 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)Nc1ccc(-c2ccccn2)cc1 ZINC001594710300 956877575 /nfs/dbraw/zinc/87/75/75/956877575.db2.gz PQTAUZBXRQQFAT-UHFFFAOYSA-N -1 0 332.359 3.628 20 0 EHADRM COc1ccc(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000011947256 956897583 /nfs/dbraw/zinc/89/75/83/956897583.db2.gz LDICAUCSZNUGCL-UHFFFAOYSA-N -1 0 337.169 3.735 20 0 EHADRM CC[C@@H](C)c1ccc(OS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000013067497 956923286 /nfs/dbraw/zinc/92/32/86/956923286.db2.gz OKISBRQMXQXCDZ-GFCCVEGCSA-N -1 0 334.393 3.666 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2ccc(F)cc2s1)c1ccc(F)cc1 ZINC001594716071 956928047 /nfs/dbraw/zinc/92/80/47/956928047.db2.gz JSIQBCRBQRNLJC-HNNXBMFYSA-N -1 0 347.342 3.735 20 0 EHADRM Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2C(=O)[O-])c1 ZINC000013083511 956932043 /nfs/dbraw/zinc/93/20/43/956932043.db2.gz FQSHACCKRYZMLM-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM CCc1ccc([C@H](C)NC(=O)COc2ccc(C)cc2C(=O)[O-])cc1 ZINC000013085906 956938676 /nfs/dbraw/zinc/93/86/76/956938676.db2.gz LJCUQENZPZWBGC-AWEZNQCLSA-N -1 0 341.407 3.512 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000013171321 956954512 /nfs/dbraw/zinc/95/45/12/956954512.db2.gz QVNHHNLQQLPAPN-UHFFFAOYSA-N -1 0 336.303 3.699 20 0 EHADRM CC[C@@H](CNC(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C)C(=O)[O-] ZINC000905053854 956960287 /nfs/dbraw/zinc/96/02/87/956960287.db2.gz IBTRGJAJZJFXMY-CABCVRRESA-N -1 0 347.459 3.606 20 0 EHADRM CC[C@H](CNC(=O)Nc1ccc(N2CCCCCC2)cc1C)C(=O)[O-] ZINC000905056029 956963830 /nfs/dbraw/zinc/96/38/30/956963830.db2.gz NRISQVNLDKMCMQ-OAHLLOKOSA-N -1 0 347.459 3.608 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000905270907 956969925 /nfs/dbraw/zinc/96/99/25/956969925.db2.gz KAIDMXDPRYEYPK-KWCYVHTRSA-N -1 0 343.345 3.577 20 0 EHADRM CCOc1ccc2ccccc2c1C(=O)NCCCCCC(=O)[O-] ZINC000907581052 956976055 /nfs/dbraw/zinc/97/60/55/956976055.db2.gz DPWJHPRGPYDJHE-UHFFFAOYSA-N -1 0 329.396 3.613 20 0 EHADRM C[C@H]1CCc2sc(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)cc2C1 ZINC000013225673 956984157 /nfs/dbraw/zinc/98/41/57/956984157.db2.gz WCCJQWXTZYGVIA-JURCDPSOSA-N -1 0 347.480 3.731 20 0 EHADRM CC(C)(C)c1ccc([C@@H](O)CCC(=O)NC(C)(C)CCC(=O)[O-])cc1 ZINC000908948913 956995800 /nfs/dbraw/zinc/99/58/00/956995800.db2.gz UYDPTMOOHZPZGV-INIZCTEOSA-N -1 0 349.471 3.557 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(Cl)cc2F)cc1 ZINC000013258267 956996530 /nfs/dbraw/zinc/99/65/30/956996530.db2.gz HKDSEWJXWAQROT-OAHLLOKOSA-N -1 0 335.762 3.733 20 0 EHADRM C[C@@H]1[C@H](C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)[C@H]1c1ccccc1 ZINC001589257941 957014846 /nfs/dbraw/zinc/01/48/46/957014846.db2.gz DSXAXRAHGAWHCN-QVSURHGTSA-N -1 0 335.403 3.641 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2cc(Cl)ncc2Cl)cc1 ZINC000389654821 972237199 /nfs/dbraw/zinc/23/71/99/972237199.db2.gz PTKQRBAQSRTHON-UHFFFAOYSA-N -1 0 339.178 3.658 20 0 EHADRM Cc1cc(C)c(NC(=O)COc2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000013418877 957058782 /nfs/dbraw/zinc/05/87/82/957058782.db2.gz KIOOQGFLKAONON-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000013419581 957062194 /nfs/dbraw/zinc/06/21/94/957062194.db2.gz OMSBSZPWVSQBRM-UHFFFAOYSA-N -1 0 343.379 3.534 20 0 EHADRM CC(C)OCc1ccc(C(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC000013441425 957081385 /nfs/dbraw/zinc/08/13/85/957081385.db2.gz HTALSRQQESQISE-UHFFFAOYSA-N -1 0 327.380 3.586 20 0 EHADRM CCCC[C@H](NC(=O)CCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000035409903 957208946 /nfs/dbraw/zinc/20/89/46/957208946.db2.gz IDEZDNSKAUFJSY-ZDUSSCGKSA-N -1 0 332.227 3.686 20 0 EHADRM O=C([O-])CCCCCCNC(=O)Nc1ccc(Br)cc1 ZINC000040550538 957374886 /nfs/dbraw/zinc/37/48/86/957374886.db2.gz KGKIYEIKERCSQK-UHFFFAOYSA-N -1 0 343.221 3.606 20 0 EHADRM CCCC[C@H](Sc1ccc2nnc(-c3ccccc3)n2n1)C(=O)[O-] ZINC000060132818 957570328 /nfs/dbraw/zinc/57/03/28/957570328.db2.gz KWAFZCSZTLFOPI-ZDUSSCGKSA-N -1 0 342.424 3.527 20 0 EHADRM O=C([O-])c1ccc(OC(=O)/C=C/c2ccccc2)c(Br)c1 ZINC000066144889 957643748 /nfs/dbraw/zinc/64/37/48/957643748.db2.gz VXJUCFQBJHCIDD-RMKNXTFCSA-N -1 0 347.164 3.766 20 0 EHADRM Cc1ccc(NC(=O)NCC2(C(=O)[O-])CCC2)c(Cl)c1Cl ZINC001329976478 957715704 /nfs/dbraw/zinc/71/57/04/957715704.db2.gz NWOYUDOTHQQRGT-UHFFFAOYSA-N -1 0 331.199 3.678 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)O[C@@H]2c3ccccc3OC[C@@H]2C)c1 ZINC001594289692 957817879 /nfs/dbraw/zinc/81/78/79/957817879.db2.gz YFXQSYWCXCQLGJ-SJCJKPOMSA-N -1 0 326.348 3.620 20 0 EHADRM CCC(CC)CN(CC)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000390672056 972297722 /nfs/dbraw/zinc/29/77/22/972297722.db2.gz SGEJKVUHKXVBRH-UHFFFAOYSA-N -1 0 328.359 3.953 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC001339726639 957873753 /nfs/dbraw/zinc/87/37/53/957873753.db2.gz XUIIJKWPLGTWCK-XIRDDKMYSA-N -1 0 348.418 3.501 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC001574810490 957875023 /nfs/dbraw/zinc/87/50/23/957875023.db2.gz HLBITDXHYWJYMR-SJLPKXTDSA-N -1 0 337.419 3.660 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)CCc2c[nH]c3c2cccc3C)C1 ZINC001341857857 958006619 /nfs/dbraw/zinc/00/66/19/958006619.db2.gz JCWGWICRFQNRSB-HXUWFJFHSA-N -1 0 342.439 3.512 20 0 EHADRM COc1cc(C)ccc1Oc1ccc(NC(=O)[C@@H](C)C(=O)[O-])cc1F ZINC001594057798 958054489 /nfs/dbraw/zinc/05/44/89/958054489.db2.gz NYBDKAGZXBNROT-LLVKDONJSA-N -1 0 347.342 3.594 20 0 EHADRM COc1cc(OC)c(NC(=O)c2cc(C)cc(C(=O)[O-])c2)cc1Cl ZINC001594067228 958143999 /nfs/dbraw/zinc/14/39/99/958143999.db2.gz ISXKTWLCPNJRSJ-UHFFFAOYSA-N -1 0 349.770 3.616 20 0 EHADRM Cc1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1C(=O)[O-] ZINC001594325052 958157109 /nfs/dbraw/zinc/15/71/09/958157109.db2.gz VFGVZCAEPWKCMO-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM Cc1cc(NC(=O)c2ncccc2NCC2CCC2)ccc1C(=O)[O-] ZINC001594325079 958158403 /nfs/dbraw/zinc/15/84/03/958158403.db2.gz XPIIXMCFUCNXEE-UHFFFAOYSA-N -1 0 339.395 3.553 20 0 EHADRM Cc1ccc(-c2c[nH]cc2C(=O)NCc2ccccc2C(=O)[O-])s1 ZINC001594333372 958245580 /nfs/dbraw/zinc/24/55/80/958245580.db2.gz SCHLZCLKTVRWEE-UHFFFAOYSA-N -1 0 340.404 3.680 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)Nc3cncc(C(=O)[O-])c3)s2)o1 ZINC001594333801 958248873 /nfs/dbraw/zinc/24/88/73/958248873.db2.gz CNURKLJCUPFHOH-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM COc1ccc(C)cc1[C@H](C)NC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001594084004 958295191 /nfs/dbraw/zinc/29/51/91/958295191.db2.gz FYHDVOBEWDGTLZ-ZDUSSCGKSA-N -1 0 327.380 3.501 20 0 EHADRM O=C([O-])c1ccc(Br)cc1NC(=O)/C=C/c1ccccc1 ZINC000109687571 958379671 /nfs/dbraw/zinc/37/96/71/958379671.db2.gz SMQWHRSUZVWDOZ-RMKNXTFCSA-N -1 0 346.180 3.799 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2cncc(C(=O)[O-])c2)o1 ZINC001594354293 958399254 /nfs/dbraw/zinc/39/92/54/958399254.db2.gz QFXYIBIJEYPPDH-NHYWBVRUSA-N -1 0 343.383 3.686 20 0 EHADRM Cc1ccc(CNC(=O)[C@H](C(=O)[O-])C2CCCC2)c2ccccc12 ZINC001594358840 958431177 /nfs/dbraw/zinc/43/11/77/958431177.db2.gz VSGHOZMAHJMIAK-GOSISDBHSA-N -1 0 325.408 3.655 20 0 EHADRM Cc1ccc(F)c2oc(C(=O)Nc3ccc(O)c(C(=O)[O-])c3)cc21 ZINC001594365114 958486057 /nfs/dbraw/zinc/48/60/57/958486057.db2.gz NXBFVNDZECRSAK-UHFFFAOYSA-N -1 0 329.283 3.536 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)c1 ZINC001594123394 958609800 /nfs/dbraw/zinc/60/98/00/958609800.db2.gz JMRSMUNKADDNSV-BFYDXBDKSA-N -1 0 347.455 3.681 20 0 EHADRM COc1cccc([C@H](C)CC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC001594123565 958612946 /nfs/dbraw/zinc/61/29/46/958612946.db2.gz OWLWSVJGDCQXSA-CZUORRHYSA-N -1 0 335.444 3.585 20 0 EHADRM Cc1ccc(SC2(CNC(=O)[C@H]3CC[C@H]3C(=O)[O-])CCCC2)cc1 ZINC001594378609 958613413 /nfs/dbraw/zinc/61/34/13/958613413.db2.gz JROMCXDRHRTQEQ-JKSUJKDBSA-N -1 0 347.480 3.627 20 0 EHADRM C[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000391745055 972365288 /nfs/dbraw/zinc/36/52/88/972365288.db2.gz BTRWLKJBWFDPQP-SKDRFNHKSA-N -1 0 326.343 3.705 20 0 EHADRM COc1cccc(/C(C)=C/C(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000128688684 958679794 /nfs/dbraw/zinc/67/97/94/958679794.db2.gz KRPOFOBTDZCOJA-UKTHLTGXSA-N -1 0 325.364 3.744 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCc2c(Cl)c(Cl)ccc2C1 ZINC001573389488 958684624 /nfs/dbraw/zinc/68/46/24/958684624.db2.gz ASCQEXHLUBZNGC-LBPRGKRZSA-N -1 0 344.238 3.625 20 0 EHADRM CC(C)(C)[C@@H]1CCc2sc(C(=O)Nc3cc(C(=O)[O-])n[nH]3)cc2C1 ZINC001573390470 958694083 /nfs/dbraw/zinc/69/40/83/958694083.db2.gz LGENNCSDJCMMOU-SNVBAGLBSA-N -1 0 347.440 3.573 20 0 EHADRM Cc1cccc([C@@H](NC(=O)CCc2cccc(Cl)c2)C(=O)[O-])c1 ZINC001594391537 958730051 /nfs/dbraw/zinc/73/00/51/958730051.db2.gz GOLBHEJGMZVCAC-QGZVFWFLSA-N -1 0 331.799 3.523 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)c(C)o1 ZINC000132312610 958780980 /nfs/dbraw/zinc/78/09/80/958780980.db2.gz GAMDMUCJRZEGNS-UHFFFAOYSA-N -1 0 338.157 3.609 20 0 EHADRM O=C(Nc1cc(F)c(F)cc1F)c1csc(C(F)(F)F)n1 ZINC000188923195 1017339086 /nfs/dbraw/zinc/33/90/86/1017339086.db2.gz CELWSBAUIONIHI-UHFFFAOYSA-N -1 0 326.221 3.832 20 0 EHADRM Cc1cccc(C2(CNC(=O)C3(CC(=O)[O-])CCC3)CCCC2)c1 ZINC001594401591 958862144 /nfs/dbraw/zinc/86/21/44/958862144.db2.gz UEOOMKZZHOLVPN-UHFFFAOYSA-N -1 0 329.440 3.568 20 0 EHADRM CC(=O)c1ccc(NC(=S)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC001588531685 958902749 /nfs/dbraw/zinc/90/27/49/958902749.db2.gz MWRFRSJRAKMEMN-UHFFFAOYSA-N -1 0 342.420 3.715 20 0 EHADRM CC(C)(CCNC(=O)NC[C@H]1CCC(C)(C)c2ccccc21)C(=O)[O-] ZINC001573474233 958952189 /nfs/dbraw/zinc/95/21/89/958952189.db2.gz KWQGZLHCSVNPEI-CQSZACIVSA-N -1 0 346.471 3.642 20 0 EHADRM Cc1ccccc1-c1nc(CNc2cccc(CCC(=O)[O-])c2)no1 ZINC001594413744 958976729 /nfs/dbraw/zinc/97/67/29/958976729.db2.gz IBGBQWVZPPQFNC-UHFFFAOYSA-N -1 0 337.379 3.674 20 0 EHADRM O=C([O-])c1cc2cccc(NC(=O)c3ccc(Cl)nc3)c2s1 ZINC000146260345 958994840 /nfs/dbraw/zinc/99/48/40/958994840.db2.gz HMBIRQSMSUYNQG-UHFFFAOYSA-N -1 0 332.768 3.900 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1nc(/C=C\c2ccccc2)cs1 ZINC001573489893 959010148 /nfs/dbraw/zinc/01/01/48/959010148.db2.gz LJCBTYUXGFQHPR-QIAWRQBBSA-N -1 0 330.409 3.609 20 0 EHADRM O=C([O-])c1ccc(COc2cc(F)c([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000391985903 972397115 /nfs/dbraw/zinc/39/71/15/972397115.db2.gz VSLAYUVHTBWLSC-UHFFFAOYSA-N -1 0 343.669 3.804 20 0 EHADRM CC(C)[C@@H]1N(C(=O)c2cccc(OCC(=O)[O-])c2)CC12CCCCC2 ZINC001573501679 959067318 /nfs/dbraw/zinc/06/73/18/959067318.db2.gz JJENTZSZJFMTCT-SFHVURJKSA-N -1 0 345.439 3.581 20 0 EHADRM CC(C)[C@@H]1CCCCCN1C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001573502903 959076130 /nfs/dbraw/zinc/07/61/30/959076130.db2.gz VUUFFPOMFVWIBS-FXAWDEMLSA-N -1 0 346.471 3.639 20 0 EHADRM CSCCCC(=O)Nc1sc2c(c1C(=O)[O-])C[C@@H](C)O[C@H]2C ZINC001594184468 959106192 /nfs/dbraw/zinc/10/61/92/959106192.db2.gz MSSYIOBIOLBBBW-BDAKNGLRSA-N -1 0 343.470 3.550 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)Nc1ncccc1C(=O)[O-] ZINC001594188159 959138634 /nfs/dbraw/zinc/13/86/34/959138634.db2.gz MPXOEZUGWSOZON-UHFFFAOYSA-N -1 0 342.376 3.641 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC001594189616 959160561 /nfs/dbraw/zinc/16/05/61/959160561.db2.gz JKJIXJMRGQMERW-SNVBAGLBSA-N -1 0 330.837 3.540 20 0 EHADRM CCc1ccccc1C(=O)Nc1cc(Br)ccc1C(=O)[O-] ZINC000161703023 959190440 /nfs/dbraw/zinc/19/04/40/959190440.db2.gz UHHSOGFTGRHWBF-UHFFFAOYSA-N -1 0 348.196 3.962 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)O[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC001588583481 959278744 /nfs/dbraw/zinc/27/87/44/959278744.db2.gz BLQXVNLBISXNCU-RCOVLWMOSA-N -1 0 344.207 3.573 20 0 EHADRM CC(C)c1csc(NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])n1 ZINC001573565431 959286913 /nfs/dbraw/zinc/28/69/13/959286913.db2.gz ZHSCQYAJOPPWKW-JTQLQIEISA-N -1 0 327.450 3.668 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)CCCc1ccc2c(c1)CCCC2 ZINC001594212094 959298323 /nfs/dbraw/zinc/29/83/23/959298323.db2.gz GTNHROGYPXKWPP-DNVCBOLYSA-N -1 0 343.467 3.742 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC001594216498 959334841 /nfs/dbraw/zinc/33/48/41/959334841.db2.gz YCFRRZGSBMYTEA-BXKDBHETSA-N -1 0 342.317 3.674 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CCC(=O)N2CCc3cc(C(=O)[O-])ccc32)o1 ZINC000392214256 972427447 /nfs/dbraw/zinc/42/74/47/972427447.db2.gz ULNJNZURCIUWBP-LRDDRELGSA-N -1 0 339.391 3.623 20 0 EHADRM O=C([O-])c1cccc2[nH]c(NC(=O)c3cc4ccccc4s3)nc21 ZINC000168623566 959381856 /nfs/dbraw/zinc/38/18/56/959381856.db2.gz QLDJTTBZGDFTND-UHFFFAOYSA-N -1 0 337.360 3.728 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccn2Cc2cccs2)cc1 ZINC000177908093 959421136 /nfs/dbraw/zinc/42/11/36/959421136.db2.gz FOQYZWRGPVRHOK-UHFFFAOYSA-N -1 0 326.377 3.548 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccccc2OC2CCCC2)C1 ZINC000179973328 959435978 /nfs/dbraw/zinc/43/59/78/959435978.db2.gz RUNPREXICRUOLH-UONOGXRCSA-N -1 0 331.412 3.838 20 0 EHADRM C[C@H](NC(=O)c1cc(C(=O)[O-])co1)c1cc(F)c(Cl)cc1Cl ZINC000183790053 959448970 /nfs/dbraw/zinc/44/89/70/959448970.db2.gz QWEWEQXYFWQBCS-LURJTMIESA-N -1 0 346.141 3.915 20 0 EHADRM O=C([O-])c1coc(C(=O)Nc2ccc(COC3CCCC3)cc2)c1 ZINC000183795506 959449080 /nfs/dbraw/zinc/44/90/80/959449080.db2.gz FGJBBCDFDADJNW-UHFFFAOYSA-N -1 0 329.352 3.689 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)c1cc(C(=O)[O-])co1 ZINC000183785700 959449908 /nfs/dbraw/zinc/44/99/08/959449908.db2.gz JJERYJJANJDNLU-UHFFFAOYSA-N -1 0 325.773 3.996 20 0 EHADRM O=C([O-])c1ccccc1OCCN(Cc1ccccc1)CC(F)F ZINC000183928018 959458010 /nfs/dbraw/zinc/45/80/10/959458010.db2.gz BFGNGYVAKUTHFG-UHFFFAOYSA-N -1 0 335.350 3.531 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccc(-c3nccs3)cc2)C1 ZINC000183964972 959459878 /nfs/dbraw/zinc/45/98/78/959459878.db2.gz SQJYWCPOMOUEQS-CHWSQXEVSA-N -1 0 330.409 3.640 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)N(C)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001573607951 959462535 /nfs/dbraw/zinc/46/25/35/959462535.db2.gz KYVNAQVVYMYJHG-ZDUSSCGKSA-N -1 0 344.386 3.548 20 0 EHADRM O=C([O-])c1cc(NC(=O)Cc2ccc3ccccc3c2)c(F)cc1F ZINC000392246457 972432816 /nfs/dbraw/zinc/43/28/16/972432816.db2.gz QLGNRKRNUAACRT-UHFFFAOYSA-N -1 0 341.313 3.997 20 0 EHADRM O=C([O-])c1cccc(NC(=O)NCC2CCc3ccccc3CC2)c1 ZINC001605768551 972433054 /nfs/dbraw/zinc/43/30/54/972433054.db2.gz CMXNCASJHSXAFT-UHFFFAOYSA-N -1 0 338.407 3.702 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000187522128 959502974 /nfs/dbraw/zinc/50/29/74/959502974.db2.gz JJFBUCSFSBWIQP-KRWDZBQOSA-N -1 0 347.455 3.715 20 0 EHADRM C[C@H](NC(=O)NCc1ccccc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001594235614 959508729 /nfs/dbraw/zinc/50/87/29/959508729.db2.gz UPJNGPNDFPZIQU-NSHDSACASA-N -1 0 332.787 3.599 20 0 EHADRM CCOc1cccc2cc([C@@H](C)NC(=O)CC(C)(C)CC(=O)[O-])oc21 ZINC000190611939 959514309 /nfs/dbraw/zinc/51/43/09/959514309.db2.gz MTTQHJNEVRKFBR-GFCCVEGCSA-N -1 0 347.411 3.900 20 0 EHADRM CN(CCc1cccc2ccccc21)C(=O)CC(C)(C)CC(=O)[O-] ZINC000190626751 959516055 /nfs/dbraw/zinc/51/60/55/959516055.db2.gz YIXDTMSHEBBQAI-UHFFFAOYSA-N -1 0 327.424 3.732 20 0 EHADRM COc1ccc(N(C(=O)CC(C)(C)CC(=O)[O-])[C@H](C)C2CC2)cc1 ZINC000190629547 959516111 /nfs/dbraw/zinc/51/61/11/959516111.db2.gz AJMONUNXLFFBFH-CYBMUJFWSA-N -1 0 333.428 3.718 20 0 EHADRM CCOc1ccccc1C(F)(F)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000190870670 959526249 /nfs/dbraw/zinc/52/62/49/959526249.db2.gz OKNJUWOHAOFACU-UHFFFAOYSA-N -1 0 349.333 3.822 20 0 EHADRM Cc1cc(C)c(CC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000190917508 959527880 /nfs/dbraw/zinc/52/78/80/959527880.db2.gz KYKDQIKXIIWFDB-UHFFFAOYSA-N -1 0 325.408 3.511 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)c3ccncc3Cl)ccc2s1 ZINC000190898502 959528808 /nfs/dbraw/zinc/52/88/08/959528808.db2.gz BFNAILTVBOEBAW-UHFFFAOYSA-N -1 0 332.768 3.900 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1ccc(Cl)c(F)c1 ZINC000190949131 959532411 /nfs/dbraw/zinc/53/24/11/959532411.db2.gz CWYLNSKVJYREBK-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM CC[C@H]1CN(C(=O)CC(C)(C)CC(=O)[O-])CC[C@H]1c1ccccc1 ZINC000191139107 959541781 /nfs/dbraw/zinc/54/17/81/959541781.db2.gz BETJQDIZRDNDOP-DOTOQJQBSA-N -1 0 331.456 3.920 20 0 EHADRM CC(C)c1nc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cs1 ZINC000191388708 959556422 /nfs/dbraw/zinc/55/64/22/959556422.db2.gz CNVGFQQTDFQNOF-LLVKDONJSA-N -1 0 332.425 3.782 20 0 EHADRM Cc1cccc(C)c1OCC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000191393258 959557296 /nfs/dbraw/zinc/55/72/96/959557296.db2.gz LZQOVQQONVFRSM-OAHLLOKOSA-N -1 0 341.407 3.584 20 0 EHADRM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1 ZINC000191399103 959558718 /nfs/dbraw/zinc/55/87/18/959558718.db2.gz YNUJRYXEXDQSDC-LSDHHAIUSA-N -1 0 341.407 3.664 20 0 EHADRM COc1cc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)ccc1Cl ZINC000191425342 959566547 /nfs/dbraw/zinc/56/65/47/959566547.db2.gz BXQNJOQCWLCNBH-LLVKDONJSA-N -1 0 347.798 3.864 20 0 EHADRM C[C@@H](C(=O)N(CCCC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC000192912598 959596688 /nfs/dbraw/zinc/59/66/88/959596688.db2.gz DGARZESBGMIJHA-MRXNPFEDSA-N -1 0 325.408 3.684 20 0 EHADRM CC(C)[C@H](NC(=O)c1ccc(O[C@@H](C)c2ccccc2)cc1)C(=O)[O-] ZINC001573642152 959621403 /nfs/dbraw/zinc/62/14/03/959621403.db2.gz WIEHOUKMJWCKSN-KSSFIOAISA-N -1 0 341.407 3.666 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC001573656256 959674695 /nfs/dbraw/zinc/67/46/95/959674695.db2.gz UBYRYQQGYSKCLT-CYBMUJFWSA-N -1 0 335.831 3.581 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1nc2ccc3scnc3c2s1 ZINC001588640718 959687876 /nfs/dbraw/zinc/68/78/76/959687876.db2.gz MCVPUDDGUZZJTP-SECBINFHSA-N -1 0 349.437 3.591 20 0 EHADRM CC1(C)CN(C(=O)c2coc(/C=C\C(=O)[O-])c2)[C@@H]1c1ccccc1 ZINC001573675470 959722276 /nfs/dbraw/zinc/72/22/76/959722276.db2.gz KZEGKFRSRBKLNU-XZVRFQMRSA-N -1 0 325.364 3.601 20 0 EHADRM Cc1c(NCC(C)(C)C)cccc1C(=O)N1CCC[C@]1(C)C(=O)[O-] ZINC001594267305 959749532 /nfs/dbraw/zinc/74/95/32/959749532.db2.gz UUFQAUVDFUXDRO-LJQANCHMSA-N -1 0 332.444 3.532 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2cccc(F)c2C(C)(F)F)C1 ZINC001573697653 959789525 /nfs/dbraw/zinc/78/95/25/959789525.db2.gz BJWUJBPKGOMGPV-UWVGGRQHSA-N -1 0 344.333 3.512 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2cccc(F)c2C(C)(F)F)C1 ZINC001573697655 959789690 /nfs/dbraw/zinc/78/96/90/959789690.db2.gz BJWUJBPKGOMGPV-ZJUUUORDSA-N -1 0 344.333 3.512 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)N2CCc3c(cccc3C(=O)[O-])C2)s1 ZINC000392302587 972466742 /nfs/dbraw/zinc/46/67/42/972466742.db2.gz ASOSXZKRVZOLRJ-GFCCVEGCSA-N -1 0 344.436 3.584 20 0 EHADRM COc1cccc2c1ccnc2N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000392386708 972478679 /nfs/dbraw/zinc/47/86/79/972478679.db2.gz JFLGDOWAUOHLMV-CYBMUJFWSA-N -1 0 328.412 3.571 20 0 EHADRM Cc1oc(CNc2ccc(Br)cc2F)cc1C(=O)[O-] ZINC000232431619 960268119 /nfs/dbraw/zinc/26/81/19/960268119.db2.gz ZBZVVEQPHHTHIU-UHFFFAOYSA-N -1 0 328.137 3.800 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2ccc(Cl)nc2Cl)s1 ZINC000234152985 960341102 /nfs/dbraw/zinc/34/11/02/960341102.db2.gz JCYAYJMSPVALMM-UHFFFAOYSA-N -1 0 345.207 3.963 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)CC23CC4CC(CC(C4)C2)C3)C1 ZINC000392732797 972515633 /nfs/dbraw/zinc/51/56/33/972515633.db2.gz ZXXJPODDWWKWMD-JRQWYPPZSA-N -1 0 347.499 3.942 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)C(F)(F)F ZINC001573769668 960652719 /nfs/dbraw/zinc/65/27/19/960652719.db2.gz BDZXGMVHOWVMOG-WRWORJQWSA-N -1 0 336.285 3.622 20 0 EHADRM CC/C(C)=C(/C)C(=O)Nc1scc(-c2cnn(C)c2)c1C(=O)[O-] ZINC001573770740 960669914 /nfs/dbraw/zinc/66/99/14/960669914.db2.gz XITLSLKPSZLWIN-KTKRTIGZSA-N -1 0 333.413 3.532 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC000236655287 960725976 /nfs/dbraw/zinc/72/59/76/960725976.db2.gz JOAQGRYBNRZONS-HNNXBMFYSA-N -1 0 348.349 3.575 20 0 EHADRM O=C([O-])c1cccc(C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)c1 ZINC001261369465 960727150 /nfs/dbraw/zinc/72/71/50/960727150.db2.gz ACQSVSLOFXMOPN-UHFFFAOYSA-N -1 0 341.798 3.718 20 0 EHADRM Cc1c(NCC(C)(C)C)cccc1C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC001574304070 960729073 /nfs/dbraw/zinc/72/90/73/960729073.db2.gz KOEJHYNGQMTLKY-MRXNPFEDSA-N -1 0 334.460 3.682 20 0 EHADRM CC(C)(C)c1ccc(-c2ccc(C(=O)N3CCC[C@H]3C(=O)[O-])o2)cc1 ZINC000236708449 960737692 /nfs/dbraw/zinc/73/76/92/960737692.db2.gz CRIKNPQDBZQOMM-HNNXBMFYSA-N -1 0 341.407 3.933 20 0 EHADRM CC(C)Oc1ccc([C@@H](C)NC(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000236737310 960746967 /nfs/dbraw/zinc/74/69/67/960746967.db2.gz JGBSMCLQGQVVFD-CYBMUJFWSA-N -1 0 327.380 3.663 20 0 EHADRM CC(C)(C)n1cc(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)cn1 ZINC000236780868 960756400 /nfs/dbraw/zinc/75/64/00/960756400.db2.gz SAMJXYIWJOEDGI-UHFFFAOYSA-N -1 0 343.408 3.803 20 0 EHADRM CCC[C@](C)(NC(=O)[C@H](C)Sc1ccccc1Cl)C(=O)[O-] ZINC000236825550 960765634 /nfs/dbraw/zinc/76/56/34/960765634.db2.gz FTHLDMMTPIWISP-BONVTDFDSA-N -1 0 329.849 3.580 20 0 EHADRM CCC(CC)(CNC(=O)CCCOc1ccccc1Cl)C(=O)[O-] ZINC000236832431 960767651 /nfs/dbraw/zinc/76/76/51/960767651.db2.gz YVIDFPARRRGUPO-UHFFFAOYSA-N -1 0 341.835 3.506 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000263184708 1125474380 /nfs/dbraw/zinc/47/43/80/1125474380.db2.gz URRUTFUHBYSKCQ-HOCLYGCPSA-N -1 0 338.407 3.928 20 0 EHADRM CCC(CC)(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000236874110 960786370 /nfs/dbraw/zinc/78/63/70/960786370.db2.gz ZTQJRMSDKZGEMM-DOMZBBRYSA-N -1 0 337.847 3.767 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000236902006 960793824 /nfs/dbraw/zinc/79/38/24/960793824.db2.gz KQEVOIMCCSFGCR-GDBMZVCRSA-N -1 0 335.469 3.661 20 0 EHADRM CCCc1cc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])sc1C ZINC000236957517 960811043 /nfs/dbraw/zinc/81/10/43/960811043.db2.gz FYBGQIZBNXNDFZ-MRXNPFEDSA-N -1 0 343.448 3.661 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1 ZINC000237023333 960840180 /nfs/dbraw/zinc/84/01/80/960840180.db2.gz AMUGVAQQHKOFQR-LIRRHRJNSA-N -1 0 335.444 3.645 20 0 EHADRM Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N(C)CCCC(=O)[O-] ZINC000237038852 960850373 /nfs/dbraw/zinc/85/03/73/960850373.db2.gz OCDDJJSFQCMSLE-UHFFFAOYSA-N -1 0 346.452 3.672 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000237042782 960852797 /nfs/dbraw/zinc/85/27/97/960852797.db2.gz FSVNCJJABRHRPT-DLBZAZTESA-N -1 0 343.810 3.800 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000237059362 960858860 /nfs/dbraw/zinc/85/88/60/960858860.db2.gz DSESOXPNFFVMIT-LLVKDONJSA-N -1 0 344.386 3.577 20 0 EHADRM Cc1cc(F)c(C(F)(F)F)cc1NC(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC001574330682 960882031 /nfs/dbraw/zinc/88/20/31/960882031.db2.gz IWPVDJHXCNOULD-CQSZACIVSA-N -1 0 333.281 3.592 20 0 EHADRM CC[C@@H](NC(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1OC ZINC001573810542 960890091 /nfs/dbraw/zinc/89/00/91/960890091.db2.gz MUEVNNKDPFYRBX-OAHLLOKOSA-N -1 0 328.368 3.666 20 0 EHADRM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1cccc(C(=O)[O-])c1 ZINC000237254612 960894810 /nfs/dbraw/zinc/89/48/10/960894810.db2.gz ACPSYHVEWDIVGE-UHFFFAOYSA-N -1 0 338.190 3.964 20 0 EHADRM COc1ccc(-c2cc(C(=O)N[C@H](C(=O)[O-])C(C)C)sc2C)cc1 ZINC000237281447 960904720 /nfs/dbraw/zinc/90/47/20/960904720.db2.gz CFEDXHYWVUMPJR-INIZCTEOSA-N -1 0 347.436 3.571 20 0 EHADRM Cc1cc(NC(=O)NCCCCOc2ccccc2)ccc1C(=O)[O-] ZINC001574338248 960924046 /nfs/dbraw/zinc/92/40/46/960924046.db2.gz JHYHLXISAXQYHA-UHFFFAOYSA-N -1 0 342.395 3.674 20 0 EHADRM Cc1cc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])c(C)s1 ZINC000237405320 960927934 /nfs/dbraw/zinc/92/79/34/960927934.db2.gz IIVFVDDEZHMSTF-GFCCVEGCSA-N -1 0 331.437 3.728 20 0 EHADRM C[C@H](CC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC000237407568 960929737 /nfs/dbraw/zinc/92/97/37/960929737.db2.gz XQJQWDVWFKFDFQ-QKCSRTOESA-N -1 0 343.345 3.569 20 0 EHADRM C[C@@H](CN(C)C(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2)C(=O)[O-] ZINC000237410515 960930003 /nfs/dbraw/zinc/93/00/03/960930003.db2.gz GXCHBLYVDFFFCX-WCQYABFASA-N -1 0 337.485 3.692 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(C(=O)[O-])cn1)C1CC1 ZINC000237435224 960933611 /nfs/dbraw/zinc/93/36/11/960933611.db2.gz YYSATZKXMZZBNM-LLVKDONJSA-N -1 0 344.798 3.799 20 0 EHADRM CCOc1ccc(CCC(=O)Nc2ccc(C(=O)[O-])cc2C)cc1 ZINC001319324364 960940628 /nfs/dbraw/zinc/94/06/28/960940628.db2.gz LFKFDUHLGXICLB-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000237472074 960942018 /nfs/dbraw/zinc/94/20/18/960942018.db2.gz CHONHVGOMMZFOY-LBPRGKRZSA-N -1 0 347.798 3.512 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(-n3cccc3)c2)cc1 ZINC001319377027 960943734 /nfs/dbraw/zinc/94/37/34/960943734.db2.gz IWOPHRGLWSPBBA-LJQANCHMSA-N -1 0 348.402 3.732 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)c1ccc(C(=O)[O-])s1 ZINC000237526073 960953481 /nfs/dbraw/zinc/95/34/81/960953481.db2.gz JPVVSWBICWSHMO-SNVBAGLBSA-N -1 0 329.377 3.992 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])s1 ZINC001574343593 960954383 /nfs/dbraw/zinc/95/43/83/960954383.db2.gz ZDXJCQAFKPJSDF-SNVBAGLBSA-N -1 0 347.383 3.517 20 0 EHADRM Cc1cccc(Nc2ccccc2C(=O)N(C)C[C@@H](C)C(=O)[O-])c1C ZINC000237573097 960965328 /nfs/dbraw/zinc/96/53/28/960965328.db2.gz BAUOICDNDXJPME-CQSZACIVSA-N -1 0 340.423 3.840 20 0 EHADRM Cc1cc2scc(CC(=O)Nc3ncccc3C(=O)[O-])c2s1 ZINC001574347218 960969189 /nfs/dbraw/zinc/96/91/89/960969189.db2.gz FRBXPBPHCHGGEE-UHFFFAOYSA-N -1 0 332.406 3.546 20 0 EHADRM Cc1ccc(NC(=O)CCCc2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC000237601991 960971291 /nfs/dbraw/zinc/97/12/91/960971291.db2.gz GASFFMCITAQICO-UHFFFAOYSA-N -1 0 333.334 3.933 20 0 EHADRM Cc1ccc(NC(=O)CCSc2ccccc2F)cc1C(=O)[O-] ZINC000237608882 960972498 /nfs/dbraw/zinc/97/24/98/960972498.db2.gz RBMSGDRTEWYDEO-UHFFFAOYSA-N -1 0 333.384 3.953 20 0 EHADRM Cc1ccc(NC(=O)CSc2ccc3c(c2)CCC3)cc1C(=O)[O-] ZINC000237684229 960995618 /nfs/dbraw/zinc/99/56/18/960995618.db2.gz TUJISTXYIZUYQX-UHFFFAOYSA-N -1 0 341.432 3.913 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)cc1C(=O)[O-] ZINC000237705091 961000946 /nfs/dbraw/zinc/00/09/46/961000946.db2.gz HFFFNGAKNGQNEM-STQMWFEESA-N -1 0 331.318 3.714 20 0 EHADRM Cc1ccc(CCCCC(=O)NCCc2ccc(C(=O)[O-])cc2)cc1 ZINC000237702773 961001236 /nfs/dbraw/zinc/00/12/36/961001236.db2.gz PJEIDFJRHXDWSZ-UHFFFAOYSA-N -1 0 339.435 3.765 20 0 EHADRM Cc1ccc(C)c(OCCCCC(=O)Nc2ccc(C(=O)[O-])cn2)c1 ZINC001574359356 961012535 /nfs/dbraw/zinc/01/25/35/961012535.db2.gz CCLVAYILQUWMCI-UHFFFAOYSA-N -1 0 342.395 3.584 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)/C=C\c1nc2ccccc2s1 ZINC001322784741 961014507 /nfs/dbraw/zinc/01/45/07/961014507.db2.gz RSSJISHYFICSRQ-HJWRWDBZSA-N -1 0 338.388 3.955 20 0 EHADRM Cc1ccc(-c2nc(C(=O)Nc3cc(C(=O)[O-])ccc3F)cs2)o1 ZINC000237755233 961016845 /nfs/dbraw/zinc/01/68/45/961016845.db2.gz KXWCNDBYPNNFQQ-UHFFFAOYSA-N -1 0 346.339 3.801 20 0 EHADRM COc1ccc(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)cc1-c1ccccc1 ZINC001324021264 961025613 /nfs/dbraw/zinc/02/56/13/961025613.db2.gz NBLFOLZJGQUIRO-QGZVFWFLSA-N -1 0 341.407 3.591 20 0 EHADRM Cc1cccc(-c2cccc(CNC(=O)c3ccc(C(=O)[O-])o3)c2)c1 ZINC000237814144 961029635 /nfs/dbraw/zinc/02/96/35/961029635.db2.gz NRPYMTCJXLULJF-UHFFFAOYSA-N -1 0 335.359 3.883 20 0 EHADRM Cc1ccc(CCC2CCN(C(=O)[C@@]3(C(=O)[O-])CC3(C)C)CC2)cc1 ZINC001574366623 961039771 /nfs/dbraw/zinc/03/97/71/961039771.db2.gz MHDUBFQVLXJMIH-OAQYLSRUSA-N -1 0 343.467 3.667 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)CSc2ccccc2Cl)C1 ZINC000237950778 961052883 /nfs/dbraw/zinc/05/28/83/961052883.db2.gz BPNIFAONQADTKE-LBPRGKRZSA-N -1 0 341.860 3.536 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(CCc2ccc(Cl)cc2)CC2CC2)o1 ZINC000237966476 961056805 /nfs/dbraw/zinc/05/68/05/961056805.db2.gz WBNFXIDHLQWENN-UHFFFAOYSA-N -1 0 347.798 3.726 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cnn(C3CCCCC3)c2)cc1 ZINC001326050222 961068713 /nfs/dbraw/zinc/06/87/13/961068713.db2.gz DAFCVKLSZRKHCH-ZDUSSCGKSA-N -1 0 341.411 3.829 20 0 EHADRM Cc1ccc(NC(=O)C2(CC(=O)[O-])CCOCC2)c(Cl)c1Cl ZINC001574374205 961078039 /nfs/dbraw/zinc/07/80/39/961078039.db2.gz NVVROMNIWZCMHF-UHFFFAOYSA-N -1 0 346.210 3.512 20 0 EHADRM Cc1ccc(NC(=O)C2(C(=O)[O-])CC=CC2)cc1C(=O)c1ccccc1 ZINC001574374260 961080219 /nfs/dbraw/zinc/08/02/19/961080219.db2.gz PONHFRKKNBVOSK-UHFFFAOYSA-N -1 0 349.386 3.586 20 0 EHADRM Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)CCCC(=O)[O-] ZINC001326390995 961088056 /nfs/dbraw/zinc/08/80/56/961088056.db2.gz LYBPCKIDFYGNLR-UHFFFAOYSA-N -1 0 343.427 3.672 20 0 EHADRM CCCCNc1ccccc1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001573848798 961118028 /nfs/dbraw/zinc/11/80/28/961118028.db2.gz KPASULQJZNCHED-UHFFFAOYSA-N -1 0 326.396 3.527 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccccc2NCC(F)(F)F)c1 ZINC000238132259 961120000 /nfs/dbraw/zinc/12/00/00/961120000.db2.gz PPTWSMRLHOJLPX-UHFFFAOYSA-N -1 0 338.285 3.611 20 0 EHADRM Cc1ccc2cc(Cl)cc(C(=O)Nc3cccnc3C(=O)[O-])c2n1 ZINC001574384413 961126302 /nfs/dbraw/zinc/12/63/02/961126302.db2.gz MKCJRQHZQOZRSB-UHFFFAOYSA-N -1 0 341.754 3.542 20 0 EHADRM Cc1cccc([C@H](NC(=O)CSc2ccccc2Cl)C(=O)[O-])c1 ZINC001574390100 961166373 /nfs/dbraw/zinc/16/63/73/961166373.db2.gz RAKZJCTVQIVPKA-INIZCTEOSA-N -1 0 349.839 3.683 20 0 EHADRM Cc1cccc([C@@H](NC(=O)CSc2ccccc2Cl)C(=O)[O-])c1 ZINC001574390101 961167304 /nfs/dbraw/zinc/16/73/04/961167304.db2.gz RAKZJCTVQIVPKA-MRXNPFEDSA-N -1 0 349.839 3.683 20 0 EHADRM CC(C)(C)c1cccc(OCCNC(=O)C2(C(=O)[O-])CCCCC2)c1 ZINC001588741675 961173074 /nfs/dbraw/zinc/17/30/74/961173074.db2.gz JQJAYSQEMCZMOB-UHFFFAOYSA-N -1 0 347.455 3.514 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1nc(C(C)(C)C)cs1 ZINC000245771503 961191764 /nfs/dbraw/zinc/19/17/64/961191764.db2.gz XJQNWLWTWZSBQZ-SDDRHHMPSA-N -1 0 338.473 3.509 20 0 EHADRM CN(C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)C(C)(C)CC(=O)[O-] ZINC001328493425 961210782 /nfs/dbraw/zinc/21/07/82/961210782.db2.gz HJWRCGUFNPAQIA-OLZOCXBDSA-N -1 0 344.238 3.809 20 0 EHADRM Cc1ccccc1C1(C(=O)N(CC(=O)[O-])CC2CC2)CCCCC1 ZINC001574401498 961233347 /nfs/dbraw/zinc/23/33/47/961233347.db2.gz KRLWBZTVIBPFLB-UHFFFAOYSA-N -1 0 329.440 3.520 20 0 EHADRM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001574401750 961237343 /nfs/dbraw/zinc/23/73/43/961237343.db2.gz CQNVHQANRVCTCA-FPCVCCKLSA-N -1 0 329.440 3.545 20 0 EHADRM CC(C)(CCNC(=O)/C(F)=C\c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001588767459 961248805 /nfs/dbraw/zinc/24/88/05/961248805.db2.gz GRQRIXHODMXFPO-FMIVXFBMSA-N -1 0 347.308 3.633 20 0 EHADRM Cc1ccccc1[C@H]1C[C@H](NC(=O)Nc2cccc(CC(=O)[O-])c2)C1 ZINC001574407368 961265077 /nfs/dbraw/zinc/26/50/77/961265077.db2.gz JZOHSWFSRQFDEF-JCNLHEQBSA-N -1 0 338.407 3.690 20 0 EHADRM Cc1ccoc1C(=O)Nc1sc2c(c1C(=O)[O-])C[C@H](C)O[C@@H]2C ZINC001574411424 961296650 /nfs/dbraw/zinc/29/66/50/961296650.db2.gz ZLZWTBBTFIWVON-DTWKUNHWSA-N -1 0 335.381 3.622 20 0 EHADRM C[C@H]1CN(c2ccc3cc(Br)ccc3n2)CC[C@H]1C(=O)[O-] ZINC001330199118 961329868 /nfs/dbraw/zinc/32/98/68/961329868.db2.gz RDGGHSOYEWDYGV-GXFFZTMASA-N -1 0 349.228 3.544 20 0 EHADRM O=C([O-])C1(CNC(=O)c2occc2-c2ccccc2)CCCCC1 ZINC000261694456 961387083 /nfs/dbraw/zinc/38/70/83/961387083.db2.gz OBJXBILZAIQAHA-UHFFFAOYSA-N -1 0 327.380 3.712 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2cccc(-c3nccs3)c2)C1 ZINC000261897075 961397050 /nfs/dbraw/zinc/39/70/50/961397050.db2.gz OJTNTVDOZXPPQG-WCQYABFASA-N -1 0 330.409 3.640 20 0 EHADRM CC(C)[C@@H](C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000262084615 961445805 /nfs/dbraw/zinc/44/58/05/961445805.db2.gz BVIJHAZVORLACL-RBUKOAKNSA-N -1 0 337.419 3.637 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)CCCOc1ccccc1Cl ZINC000262087340 961447656 /nfs/dbraw/zinc/44/76/56/961447656.db2.gz FHAXYGGCMNOLII-UHFFFAOYSA-N -1 0 341.835 3.649 20 0 EHADRM CCCCCOc1ccc(C(=O)N(C[C@H](C)C(=O)[O-])C2CC2)cc1 ZINC000262103938 961461643 /nfs/dbraw/zinc/46/16/43/961461643.db2.gz FUXQKGYFTWWRHW-AWEZNQCLSA-N -1 0 333.428 3.581 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2C[C@H]2C2CC2)cc1 ZINC000262165934 961517629 /nfs/dbraw/zinc/51/76/29/961517629.db2.gz OMVHOFRMHJUAFJ-ULQDDVLXSA-N -1 0 329.440 3.662 20 0 EHADRM C[C@H](CC(=O)N[C@@H](CC1CC1)C(=O)[O-])c1ccccc1C(F)(F)F ZINC000262186315 961533555 /nfs/dbraw/zinc/53/35/55/961533555.db2.gz HGMJYHDJWQZETL-YGRLFVJLSA-N -1 0 343.345 3.569 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C2(Cc3ccccc3)CCC2)Cc2ccccc21 ZINC000262188257 961533999 /nfs/dbraw/zinc/53/39/99/961533999.db2.gz NEFDYXWCPJXKGJ-LJQANCHMSA-N -1 0 349.430 3.610 20 0 EHADRM CSc1ccccc1C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000262202196 961548191 /nfs/dbraw/zinc/54/81/91/961548191.db2.gz SIHDEBVYWMCYIK-HNNXBMFYSA-N -1 0 343.448 3.614 20 0 EHADRM CCOc1ccccc1C(F)(F)C(=O)Nc1ccccc1C(=O)[O-] ZINC001573926012 961551586 /nfs/dbraw/zinc/55/15/86/961551586.db2.gz JTDIPFGBBFWCND-UHFFFAOYSA-N -1 0 335.306 3.514 20 0 EHADRM CC(C)c1c(NC(=O)CCCC(=O)[O-])cnn1-c1ccc(Cl)cc1 ZINC001332414567 961563504 /nfs/dbraw/zinc/56/35/04/961563504.db2.gz XRZAFGNNXVVJNN-UHFFFAOYSA-N -1 0 349.818 3.843 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)N[C@@H](C(=O)[O-])C(C)C ZINC001573931874 961581986 /nfs/dbraw/zinc/58/19/86/961581986.db2.gz FZNRBKQPQCJAOU-GFCCVEGCSA-N -1 0 330.837 3.683 20 0 EHADRM Cc1ccc([C@H](NC(=O)c2ccc(C(=O)[O-])cc2F)C2CC2)cc1 ZINC000262311811 961636649 /nfs/dbraw/zinc/63/66/49/961636649.db2.gz BOPWGSWPZSXYNQ-KRWDZBQOSA-N -1 0 327.355 3.713 20 0 EHADRM CCc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1CC ZINC001573954972 961668098 /nfs/dbraw/zinc/66/80/98/961668098.db2.gz TWTPLUPITVMMAQ-KRWDZBQOSA-N -1 0 329.371 3.506 20 0 EHADRM CCCCOc1ccc(C(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000262430091 961716314 /nfs/dbraw/zinc/71/63/14/961716314.db2.gz DQWZUGVJCPLCNA-UHFFFAOYSA-N -1 0 345.395 3.737 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)[C@H](C)CC2CCCCC2)c1OC ZINC000262460559 961733973 /nfs/dbraw/zinc/73/39/73/961733973.db2.gz IICGHXDYUDGGHV-GFCCVEGCSA-N -1 0 349.427 3.947 20 0 EHADRM CC(C)[C@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC001588834064 961746266 /nfs/dbraw/zinc/74/62/66/961746266.db2.gz IIBMXOXAOHMRQT-KRWDZBQOSA-N -1 0 344.386 3.720 20 0 EHADRM CC[C@H]1CC[C@H](C)N1C(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000262662506 961798792 /nfs/dbraw/zinc/79/87/92/961798792.db2.gz MEXFYWIVLFUXHY-ZANVPECISA-N -1 0 340.217 3.550 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCC[C@@H]2c2cccc(Cl)c2)cn1 ZINC000262688696 961808254 /nfs/dbraw/zinc/80/82/54/961808254.db2.gz BQCIVNAVADMLRF-MRXNPFEDSA-N -1 0 344.798 3.801 20 0 EHADRM CC(C)[C@@H]1CCCCCN1C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001588842229 961814852 /nfs/dbraw/zinc/81/48/52/961814852.db2.gz WOIGWXVXDVWSOU-QXSJWSMHSA-N -1 0 338.492 3.732 20 0 EHADRM CC(C)[C@H]1N(C(=O)c2ccc(C(=O)[O-])nc2)CC12CCCCCC2 ZINC001588842390 961817929 /nfs/dbraw/zinc/81/79/29/961817929.db2.gz AGDHUDZVKMMKDZ-MRXNPFEDSA-N -1 0 330.428 3.601 20 0 EHADRM Cc1oc(CN(C)Cc2cccc(F)c2OC(F)F)cc1C(=O)[O-] ZINC001334780016 961828540 /nfs/dbraw/zinc/82/85/40/961828540.db2.gz RWCXSFWLPBTTJG-UHFFFAOYSA-N -1 0 343.301 3.659 20 0 EHADRM O=C([O-])CC1CC(Nc2ccc(OC(F)F)cc2OC(F)F)C1 ZINC001334798546 961833363 /nfs/dbraw/zinc/83/33/63/961833363.db2.gz DSFIVPMAOIRBFG-UHFFFAOYSA-N -1 0 337.269 3.555 20 0 EHADRM CCOc1ccccc1-c1cccc(C(=O)N(C)C[C@H](C)C(=O)[O-])c1 ZINC000262731148 961834593 /nfs/dbraw/zinc/83/45/93/961834593.db2.gz DECNSZWXWNYAOM-AWEZNQCLSA-N -1 0 341.407 3.545 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)CCc2ccc3[nH]ccc3c2)c2ccccc21 ZINC001574524967 961872996 /nfs/dbraw/zinc/87/29/96/961872996.db2.gz AIGBKTGUOSOTBU-MJGOQNOKSA-N -1 0 348.402 3.530 20 0 EHADRM Cc1ccsc1CCNC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000262798193 961873007 /nfs/dbraw/zinc/87/30/07/961873007.db2.gz MBARIDXYNXSPOB-LBPRGKRZSA-N -1 0 349.477 3.594 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cccc([C@H]3CCOC3)c2)c1 ZINC000262821275 961889094 /nfs/dbraw/zinc/88/90/94/961889094.db2.gz AVUFEKQQCFVGQV-DYVFJYSZSA-N -1 0 339.391 3.631 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N1CC[C@H](C)C2(CCCCC2)C1)C(=O)[O-] ZINC001588850523 961922347 /nfs/dbraw/zinc/92/23/47/961922347.db2.gz PFEFHPSZYUIIKT-HOTGVXAUSA-N -1 0 338.492 3.735 20 0 EHADRM O=C(NC(C1CCCCC1)C1CCCCC1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001574547059 961952221 /nfs/dbraw/zinc/95/22/21/961952221.db2.gz FSDXCQBPRKBMDN-IYBDPMFKSA-N -1 0 336.476 3.678 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1cc(-c2ccccc2)ns1)C(=O)[O-] ZINC001588852956 961952433 /nfs/dbraw/zinc/95/24/33/961952433.db2.gz MEWLMTSBDIURBL-CYBMUJFWSA-N -1 0 347.440 3.679 20 0 EHADRM C[C@@H](CC(=O)N1CCC[C@](C)(C(=O)[O-])C1)Cc1ccc(Cl)cc1 ZINC000262920890 962002010 /nfs/dbraw/zinc/00/20/10/962002010.db2.gz FQANHKARYWJIHI-ACJLOTCBSA-N -1 0 337.847 3.622 20 0 EHADRM Cc1cc(C(=O)NCCC(C)(C)C(=O)[O-])c(C)n1C1CCCCC1 ZINC000262925350 962006945 /nfs/dbraw/zinc/00/69/45/962006945.db2.gz GOVFDYZOOGPRRQ-UHFFFAOYSA-N -1 0 334.460 3.841 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)N(C)CCCC(=O)[O-])cc1F ZINC001588867747 962030894 /nfs/dbraw/zinc/03/08/94/962030894.db2.gz IROBSWLWJKCPQK-UHFFFAOYSA-N -1 0 340.395 3.579 20 0 EHADRM O=C([O-])C1CCC(Nc2ccccc2OC[C@@H]2CCCCO2)CC1 ZINC000262947665 962032058 /nfs/dbraw/zinc/03/20/58/962032058.db2.gz AKTGNBAIKXIZEA-GPANFISMSA-N -1 0 333.428 3.690 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)CC(C)(C)c1ccccc1 ZINC000262950610 962036110 /nfs/dbraw/zinc/03/61/10/962036110.db2.gz MUAGVGWPXQJWJM-UHFFFAOYSA-N -1 0 327.380 3.700 20 0 EHADRM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000262969112 962054368 /nfs/dbraw/zinc/05/43/68/962054368.db2.gz MPDPZEISNHHFGF-RFUYNDQBSA-N -1 0 348.402 3.646 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)NC1(CC(=O)[O-])CCCC1 ZINC000263000268 962095277 /nfs/dbraw/zinc/09/52/77/962095277.db2.gz WGUZBZKBAFOOOC-UHFFFAOYSA-N -1 0 335.400 3.866 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1coc2ccc(Cl)cc12)c1ccccc1 ZINC001574587522 962114866 /nfs/dbraw/zinc/11/48/66/962114866.db2.gz DYUSXZLBZMMPBN-HNNXBMFYSA-N -1 0 329.739 3.642 20 0 EHADRM CC[C@](CNC(=O)c1ccoc1C(C)C)(C(=O)[O-])c1ccccc1 ZINC000263021181 962127416 /nfs/dbraw/zinc/12/74/16/962127416.db2.gz OLSBJVYZLVPBMH-LJQANCHMSA-N -1 0 329.396 3.565 20 0 EHADRM Cc1ccccc1[C@H]1C[C@H](NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)C1 ZINC001343042010 962156884 /nfs/dbraw/zinc/15/68/84/962156884.db2.gz VRXZSOFLJUQLPU-BRWVUGGUSA-N -1 0 344.455 3.527 20 0 EHADRM C[C@H](CC(F)(F)F)C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001344522065 962186757 /nfs/dbraw/zinc/18/67/57/962186757.db2.gz HGWFBLYRRFBOPX-QMTHXVAHSA-N -1 0 339.313 3.670 20 0 EHADRM COCc1cc(NC(=O)CCCc2cccs2)cc(C(=O)[O-])c1 ZINC000263068593 962209720 /nfs/dbraw/zinc/20/97/20/962209720.db2.gz JHEORFOHKVYAIR-UHFFFAOYSA-N -1 0 333.409 3.554 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCC[C@H]1Cc1ccccc1)CC(=O)[O-] ZINC001588893255 962216528 /nfs/dbraw/zinc/21/65/28/962216528.db2.gz YYOJBDBGNIKERM-ROUUACIJSA-N -1 0 346.471 3.540 20 0 EHADRM CS[C@H](C)CC(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000263082710 962229529 /nfs/dbraw/zinc/22/95/29/962229529.db2.gz HCNIJWSDECEDCL-IUODEOHRSA-N -1 0 337.485 3.758 20 0 EHADRM CCOC1(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CCCC1 ZINC000263089545 962238064 /nfs/dbraw/zinc/23/80/64/962238064.db2.gz HQPNXDIZZRTBGK-UHFFFAOYSA-N -1 0 333.409 3.887 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)c2ccoc2C2CC2)(C(=O)[O-])c2ccccc21 ZINC001345183172 962256969 /nfs/dbraw/zinc/25/69/69/962256969.db2.gz BHTHDPPAGIWPAG-YUNKPMOVSA-N -1 0 339.391 3.764 20 0 EHADRM O=C([O-])C1(C(=O)N2Cc3ccccc3C(F)(F)C2)CCCCCC1 ZINC001574625993 962277506 /nfs/dbraw/zinc/27/75/06/962277506.db2.gz DUANBJSUNZDBHE-UHFFFAOYSA-N -1 0 337.366 3.546 20 0 EHADRM CC(C)c1cccc2c1CCN(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)C2 ZINC000263126567 962280209 /nfs/dbraw/zinc/28/02/09/962280209.db2.gz XKPBDSVXLWVKAI-HUUCEWRRSA-N -1 0 329.440 3.586 20 0 EHADRM Cc1cc(C)c(OCC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c(C)c1 ZINC000263175647 962328672 /nfs/dbraw/zinc/32/86/72/962328672.db2.gz GNNQBOJUMSBVQP-HNNXBMFYSA-N -1 0 341.407 3.817 20 0 EHADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1sc2cc(Cl)ccc2c1Cl ZINC000263176878 962329728 /nfs/dbraw/zinc/32/97/28/962329728.db2.gz GTRPQKFVBVUDGS-WRXNHJIOSA-N -1 0 344.219 3.801 20 0 EHADRM CC1(C)[C@H](c2ccccc2)CCN1C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000263238191 962383801 /nfs/dbraw/zinc/38/38/01/962383801.db2.gz RHUAMTRGGHJPEV-ZACQAIPSSA-N -1 0 329.440 3.672 20 0 EHADRM CC(C)(C)c1ccc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)nc1 ZINC000263243435 962388308 /nfs/dbraw/zinc/38/83/08/962388308.db2.gz RWDJUQRYTHLCGV-UHFFFAOYSA-N -1 0 326.396 3.649 20 0 EHADRM C[C@H](CN(C)C(=O)c1ccc(O[C@@H](C)c2ccccc2)cc1)C(=O)[O-] ZINC000263248350 962390626 /nfs/dbraw/zinc/39/06/26/962390626.db2.gz SMQOZBVMDVLFMP-CABCVRRESA-N -1 0 341.407 3.619 20 0 EHADRM COc1ccc2oc([C@@H](C)NC(=O)CCCCC(=O)[O-])c(C)c2c1 ZINC000263253180 962394710 /nfs/dbraw/zinc/39/47/10/962394710.db2.gz FCZAXRSXVMCUEI-GFCCVEGCSA-N -1 0 333.384 3.572 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)C23CCC(CC2)CC3)cc1F)C(=O)[O-] ZINC001347562929 962403030 /nfs/dbraw/zinc/40/30/30/962403030.db2.gz NMRMSPKWEHWKCO-OMTHAAKESA-N -1 0 335.375 3.587 20 0 EHADRM CO[C@@H](C(=O)[O-])C(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1 ZINC001574106680 962447960 /nfs/dbraw/zinc/44/79/60/962447960.db2.gz XKBORJOBOBAONF-BLLLJJGKSA-N -1 0 345.420 3.578 20 0 EHADRM CCC(CC)n1nc(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)cc1C ZINC000263320262 962460667 /nfs/dbraw/zinc/46/06/67/962460667.db2.gz NJHNRNGMWORHTM-CYBMUJFWSA-N -1 0 343.427 3.993 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2ccccc2OCC2CC2)c1 ZINC000263323216 962466111 /nfs/dbraw/zinc/46/61/11/962466111.db2.gz NZZJUNMSKKAAQZ-UHFFFAOYSA-N -1 0 325.364 3.734 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)NCC2CCCCCCC2)Cc2ccccc21 ZINC001574657809 962475507 /nfs/dbraw/zinc/47/55/07/962475507.db2.gz HCVBGFCMXBBPCW-GOSISDBHSA-N -1 0 344.455 3.741 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)C(C)(C)c2ccc(F)cc2)c1 ZINC000263333356 962480971 /nfs/dbraw/zinc/48/09/71/962480971.db2.gz QIRJFCSUTISASG-LBPRGKRZSA-N -1 0 329.371 3.930 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)NC1CCC(C(=O)[O-])CC1)CC2 ZINC000263381589 962539620 /nfs/dbraw/zinc/53/96/20/962539620.db2.gz PANKDNYGDNKNRP-JFUPDXTOSA-N -1 0 344.455 3.740 20 0 EHADRM C[C@@H](CC(=O)N1CCC[C@@]1(C)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000263385079 962544300 /nfs/dbraw/zinc/54/43/00/962544300.db2.gz BWEUOYPKBRETCD-ZBEGNZNMSA-N -1 0 343.345 3.665 20 0 EHADRM CC[C@@H](C)NC(=O)c1ccc(NCc2cccc(C(=O)[O-])c2)cc1 ZINC000263391517 962551011 /nfs/dbraw/zinc/55/10/11/962551011.db2.gz FHYCGAJMXLCIAZ-CYBMUJFWSA-N -1 0 326.396 3.525 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N[C@@H](C)CC(C)(C)c1ccccc1 ZINC000263399730 962561677 /nfs/dbraw/zinc/56/16/77/962561677.db2.gz GFMASPKUUBZXMO-AWEZNQCLSA-N -1 0 343.423 3.701 20 0 EHADRM Cc1ccc(NCc2cccc(C(=O)[O-])c2)cc1C(=O)N(C)C(C)C ZINC000263432804 962608014 /nfs/dbraw/zinc/60/80/14/962608014.db2.gz SSMYPZGEROTAAH-UHFFFAOYSA-N -1 0 340.423 3.786 20 0 EHADRM CC(=O)c1ccc(C(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)cc1 ZINC000263434737 962610424 /nfs/dbraw/zinc/61/04/24/962610424.db2.gz UXBSQFHGJSPMGQ-GOSISDBHSA-N -1 0 345.439 3.823 20 0 EHADRM CC(=O)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)cc1 ZINC000263434738 962611362 /nfs/dbraw/zinc/61/13/62/962611362.db2.gz UXBSQFHGJSPMGQ-SFHVURJKSA-N -1 0 345.439 3.823 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c(O)c1 ZINC001588962693 962627935 /nfs/dbraw/zinc/62/79/35/962627935.db2.gz JTVPTSFEVISMIZ-SJORKVTESA-N -1 0 339.391 3.559 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)C[C@@H]1C[C@H]1Cc1ccccc1 ZINC001574692538 962653671 /nfs/dbraw/zinc/65/36/71/962653671.db2.gz VVIDUDSECNFLAC-FGTMMUONSA-N -1 0 329.440 3.501 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)C2(Cc3ccccc3Cl)CC2)cc1 ZINC000263542863 962719160 /nfs/dbraw/zinc/71/91/60/962719160.db2.gz RUGQQVBXTOOPRR-UHFFFAOYSA-N -1 0 343.810 3.929 20 0 EHADRM Cc1cc(N[C@H](CCC(=O)[O-])Cc2ccccc2)nc(C2CC2)n1 ZINC000263541960 962719517 /nfs/dbraw/zinc/71/95/17/962719517.db2.gz DJRMPLBXMFCXOZ-MRXNPFEDSA-N -1 0 325.412 3.550 20 0 EHADRM CC(C)n1ncc2cc(NC(=O)c3coc(/C=C\C(=O)[O-])c3)ccc21 ZINC001588988666 962785723 /nfs/dbraw/zinc/78/57/23/962785723.db2.gz ZUCWEDSHVOTCNQ-XQRVVYSFSA-N -1 0 339.351 3.560 20 0 EHADRM Cc1nc(Cl)c(Cl)cc1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000313846123 963685449 /nfs/dbraw/zinc/68/54/49/963685449.db2.gz REEWVUYUSPBCIS-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM O=C([O-])C1(NC(=O)CCc2ccc(Cl)cc2Cl)CCCCC1 ZINC000314494020 963760343 /nfs/dbraw/zinc/76/03/43/963760343.db2.gz NKEGIEKRDNBZSG-UHFFFAOYSA-N -1 0 344.238 3.830 20 0 EHADRM Cc1c(NC(=O)c2cc(F)c(F)cc2Cl)cccc1C(=O)[O-] ZINC000315061224 963852016 /nfs/dbraw/zinc/85/20/16/963852016.db2.gz QPAIJNMLYZICRA-UHFFFAOYSA-N -1 0 325.698 3.877 20 0 EHADRM O=C([O-])c1cnc(Nc2ccc3cc(Br)ccc3c2)nc1 ZINC000315165222 963862779 /nfs/dbraw/zinc/86/27/79/963862779.db2.gz XLGPJSQSJLFWLJ-UHFFFAOYSA-N -1 0 344.168 3.834 20 0 EHADRM COc1ccc(NC(=O)c2cc3sccc3s2)c(C(=O)[O-])c1 ZINC000316897570 964069931 /nfs/dbraw/zinc/06/99/31/964069931.db2.gz RPKFWCWZZKLOGQ-UHFFFAOYSA-N -1 0 333.390 3.922 20 0 EHADRM COc1ccc(C2(C(=O)NCCC(C)(C)C(=O)[O-])CCCCC2)cc1 ZINC000455914795 1032073792 /nfs/dbraw/zinc/07/37/92/1032073792.db2.gz YFOSFWXSFMFBDX-UHFFFAOYSA-N -1 0 347.455 3.514 20 0 EHADRM Cc1cc2[nH]c(C(=O)N3CCCC[C@H]3CCC(=O)[O-])cc2c(C)c1 ZINC000237621244 967784679 /nfs/dbraw/zinc/78/46/79/967784679.db2.gz CHFDONIXRFKNTN-AWEZNQCLSA-N -1 0 328.412 3.644 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)CCSc1ccccc1F ZINC000237923741 967785052 /nfs/dbraw/zinc/78/50/52/967785052.db2.gz WTIGHSIBSASDNH-ZDUSSCGKSA-N -1 0 339.432 3.554 20 0 EHADRM C[C@H]1CN(C(=O)c2ccccc2Nc2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000262809024 967828023 /nfs/dbraw/zinc/82/80/23/967828023.db2.gz AXJXNCIUMZEMQR-HOCLYGCPSA-N -1 0 338.407 3.613 20 0 EHADRM Cc1cccc(C(NC(=O)N(C)CCC(=O)[O-])c2cccc(C)c2)c1 ZINC000263284780 967867129 /nfs/dbraw/zinc/86/71/29/967867129.db2.gz UKDXDJMOEQMCFU-UHFFFAOYSA-N -1 0 340.423 3.509 20 0 EHADRM O=C([O-])c1ccc(Br)c(NC(=O)[C@H]2CCC(F)(F)C2)c1 ZINC000312138329 967954504 /nfs/dbraw/zinc/95/45/04/967954504.db2.gz VUEIEFOGISHVAP-QMMMGPOBSA-N -1 0 348.143 3.521 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)/C=C\c1cccc(F)c1 ZINC000323884716 968026902 /nfs/dbraw/zinc/02/69/02/968026902.db2.gz LTCRYXQSXVEKON-TWGQIWQCSA-N -1 0 325.339 3.517 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)N2CCC(C(F)(F)F)CC2)c1 ZINC000325497240 968038234 /nfs/dbraw/zinc/03/82/34/968038234.db2.gz LROIQOKMYCSXMZ-UHFFFAOYSA-N -1 0 344.333 3.510 20 0 EHADRM CSCCCCC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000368890825 968059434 /nfs/dbraw/zinc/05/94/34/968059434.db2.gz WQOYEVQSIKXOLL-UHFFFAOYSA-N -1 0 335.469 3.624 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)NC[C@@H]2CCCCC2(F)F)c1 ZINC000390035679 968173766 /nfs/dbraw/zinc/17/37/66/968173766.db2.gz AITCVYDKQVBBMA-ZDUSSCGKSA-N -1 0 340.370 3.651 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000414631539 968340789 /nfs/dbraw/zinc/34/07/89/968340789.db2.gz QMNJKXIGLZYKLW-HNNXBMFYSA-N -1 0 346.452 3.538 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CC2(CCC2)[C@@H]1c1ccccc1)C(=O)[O-] ZINC000424422900 968365942 /nfs/dbraw/zinc/36/59/42/968365942.db2.gz NIZHGZGWDWDRIB-SJORKVTESA-N -1 0 344.455 3.670 20 0 EHADRM C[C@H]1CCN(C(=O)C2(c3cccs3)CCCCC2)C[C@@H]1C(=O)[O-] ZINC000573921445 968453811 /nfs/dbraw/zinc/45/38/11/968453811.db2.gz YLHDJDSRQVKOJX-KBPBESRZSA-N -1 0 335.469 3.519 20 0 EHADRM C[C@H](C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)c1c(Cl)cccc1Cl ZINC000647755632 968581897 /nfs/dbraw/zinc/58/18/97/968581897.db2.gz VXCIYQFVEGFFEV-VWYCJHECSA-N -1 0 344.238 3.666 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1ccc(Br)cc1Cl ZINC000650502426 968601342 /nfs/dbraw/zinc/60/13/42/968601342.db2.gz ZZTNQMZJABMXTK-PRHODGIISA-N -1 0 332.625 3.540 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@]3(C(=O)[O-])CC=CCC3)c2)oc1C ZINC000653281364 968637614 /nfs/dbraw/zinc/63/76/14/968637614.db2.gz FQOXAKWSEOWDQK-IBGZPJMESA-N -1 0 340.379 3.708 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000653302083 968645195 /nfs/dbraw/zinc/64/51/95/968645195.db2.gz HBZPPQNENWVBRZ-UHFFFAOYSA-N -1 0 328.368 3.703 20 0 EHADRM C[C@@H](NC(=O)[C@@H](C)CCc1cccc(F)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655579708 968686470 /nfs/dbraw/zinc/68/64/70/968686470.db2.gz WZAAQXIBACAMIF-UWWPHRKUSA-N -1 0 349.446 3.646 20 0 EHADRM C[C@@H](NC(=O)CC(C)(C)c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655579917 968686495 /nfs/dbraw/zinc/68/64/95/968686495.db2.gz BFEPSSACSHZRLF-VNQPRFMTSA-N -1 0 331.456 3.606 20 0 EHADRM COc1ccc([C@@H]2CCCN2C(=O)c2ccc(C(=O)[O-])cc2)cc1F ZINC000659190751 968726083 /nfs/dbraw/zinc/72/60/83/968726083.db2.gz CDPSRTNTPBBKAY-INIZCTEOSA-N -1 0 343.354 3.510 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)[C@@]3(C(=O)[O-])CC3(C)C)ccc2o1 ZINC000663030002 968762415 /nfs/dbraw/zinc/76/24/15/968762415.db2.gz RHEYVRCBNOXGPQ-GOSISDBHSA-N -1 0 330.384 3.565 20 0 EHADRM CC(C)C[C@@H](C)n1nccc1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000669503331 968856286 /nfs/dbraw/zinc/85/62/86/968856286.db2.gz ZJLOHCSZWMJHGG-CYBMUJFWSA-N -1 0 344.415 3.510 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)C1CC1 ZINC000864109896 969315455 /nfs/dbraw/zinc/31/54/55/969315455.db2.gz ZJKMVEWXRRDCCL-LECLMCCNSA-N -1 0 325.364 3.567 20 0 EHADRM Cc1cc2cc(NC(=O)N3CCCC[C@H]3CCC(=O)[O-])ccc2[nH]1 ZINC000899312215 969418768 /nfs/dbraw/zinc/41/87/68/969418768.db2.gz WEKTWHMWYBTMMR-HNNXBMFYSA-N -1 0 329.400 3.728 20 0 EHADRM COc1cc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])c(C)cc1C ZINC000899313288 969419016 /nfs/dbraw/zinc/41/90/16/969419016.db2.gz JEBXHNIPPQXEJN-AWEZNQCLSA-N -1 0 334.416 3.563 20 0 EHADRM Cc1ccc(NCc2ccc(C(=O)[O-])s2)cc1C(=O)NC(C)C ZINC000903674235 969581999 /nfs/dbraw/zinc/58/19/99/969581999.db2.gz DCEMWWJADVXFGQ-UHFFFAOYSA-N -1 0 332.425 3.505 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@H]1SCCc2sccc21 ZINC000905268256 969610207 /nfs/dbraw/zinc/61/02/07/969610207.db2.gz GROVMSDZOGRDIC-AWEZNQCLSA-N -1 0 333.434 3.724 20 0 EHADRM CC(C)(C)Oc1c(F)cc(NC(=O)CCCCC(=O)[O-])cc1F ZINC000911512896 969637878 /nfs/dbraw/zinc/63/78/78/969637878.db2.gz VFQDJEMDABEOBB-UHFFFAOYSA-N -1 0 329.343 3.726 20 0 EHADRM C[C@]1(C2CCCCC2)CCN1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001573678847 969826293 /nfs/dbraw/zinc/82/62/93/969826293.db2.gz QLNRBWJDWGLWAR-LJQANCHMSA-N -1 0 330.428 3.639 20 0 EHADRM Cc1cccc([C@@H](NC(=O)Nc2scnc2C(C)C)C(=O)[O-])c1 ZINC001594393664 970219118 /nfs/dbraw/zinc/21/91/18/970219118.db2.gz OFAHUMJIYAVCBT-CYBMUJFWSA-N -1 0 333.413 3.522 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2ccccc2C(=O)[O-])c(C)c1 ZINC000064872988 970307084 /nfs/dbraw/zinc/30/70/84/970307084.db2.gz VGFZGMWPSXGRKH-UHFFFAOYSA-N -1 0 327.380 3.799 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2cc(C)c(F)cc2F)s1 ZINC000317662547 970378078 /nfs/dbraw/zinc/37/80/78/970378078.db2.gz DCSVONCFDQGRTD-UHFFFAOYSA-N -1 0 325.336 3.848 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCSc2ccccc2)c(F)cc1F ZINC000319644879 970557483 /nfs/dbraw/zinc/55/74/83/970557483.db2.gz DRMOTPKRZCKDDY-UHFFFAOYSA-N -1 0 337.347 3.784 20 0 EHADRM O=C(C=C1CCSCC1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000091436982 1023253129 /nfs/dbraw/zinc/25/31/29/1023253129.db2.gz OMCALXUCDSKKEJ-UHFFFAOYSA-N -1 0 337.875 3.500 20 0 EHADRM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000319785909 970572003 /nfs/dbraw/zinc/57/20/03/970572003.db2.gz YZTZHAMFGRMSNM-VIFPVBQESA-N -1 0 337.734 3.583 20 0 EHADRM Cc1cc(Cl)cc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)c1 ZINC000319870365 970582945 /nfs/dbraw/zinc/58/29/45/970582945.db2.gz HSTNRYHKNNBVFL-UHFFFAOYSA-N -1 0 325.698 3.877 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)C2(c3ccc(F)cc3)CC2)c1 ZINC000320113379 970615739 /nfs/dbraw/zinc/61/57/39/970615739.db2.gz CJVWNJGVUXCAFQ-UHFFFAOYSA-N -1 0 333.746 3.848 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)Nc2cccc(Cl)c2F)cc1 ZINC000320262123 970639734 /nfs/dbraw/zinc/63/97/34/970639734.db2.gz RQTHITWFZHQDEF-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM Cc1cc([C@H](C)NC(=O)Nc2ccc(CC(=O)[O-])cc2)c(C)s1 ZINC000320484397 970669688 /nfs/dbraw/zinc/66/96/88/970669688.db2.gz FSQFCZJEHIHRBB-NSHDSACASA-N -1 0 332.425 3.875 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2ccc3ncccc3c2)s1 ZINC000320645990 970690474 /nfs/dbraw/zinc/69/04/74/970690474.db2.gz HZBKXIGFAPTPFQ-UHFFFAOYSA-N -1 0 326.377 3.809 20 0 EHADRM O=C([O-])c1ccc(SCC(=O)N2CCC[C@@H]3CCCC[C@H]32)cc1 ZINC000320654414 970692715 /nfs/dbraw/zinc/69/27/15/970692715.db2.gz KPDKCLZNOUWQRM-XJKSGUPXSA-N -1 0 333.453 3.658 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2c(s1)CCCCC2)C1CCCCC1 ZINC000320695013 970701546 /nfs/dbraw/zinc/70/15/46/970701546.db2.gz CSAONOAELQRJJY-INIZCTEOSA-N -1 0 335.469 3.780 20 0 EHADRM CCN(C(=O)N[C@H](C)CC(=O)[O-])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001610270464 970710769 /nfs/dbraw/zinc/71/07/69/970710769.db2.gz BMQZQSWJRMVJSB-GHMZBOCLSA-N -1 0 346.349 3.661 20 0 EHADRM O=C([O-])c1ncccc1OCc1ncc(-c2cccc(Cl)c2)o1 ZINC000320829989 970720673 /nfs/dbraw/zinc/72/06/73/970720673.db2.gz QLBGXCSWMDYOFN-UHFFFAOYSA-N -1 0 330.727 3.667 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)[C@@H](C)Oc2cccc(C)c2)s1 ZINC000320916633 970729383 /nfs/dbraw/zinc/72/93/83/970729383.db2.gz WRSNTBNYRBJUOG-LLVKDONJSA-N -1 0 333.409 3.723 20 0 EHADRM COc1ccc(C(=O)[O-])cc1COc1cc(Cl)ccc1[N+](=O)[O-] ZINC000321083461 970740991 /nfs/dbraw/zinc/74/09/91/970740991.db2.gz IMXFZPSOTZZWDX-UHFFFAOYSA-N -1 0 337.715 3.534 20 0 EHADRM Cc1cc(C(=O)CS[C@H](C)C(=O)[O-])c(C)n1Cc1cccs1 ZINC001600077690 970756575 /nfs/dbraw/zinc/75/65/75/970756575.db2.gz ZWLZHHOGKYJOPU-GFCCVEGCSA-N -1 0 337.466 3.604 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N[C@H]1CCCc2c(F)cccc21 ZINC001605863364 972619231 /nfs/dbraw/zinc/61/92/31/972619231.db2.gz PAWUTFHIYVTKDJ-HNNXBMFYSA-N -1 0 328.343 3.723 20 0 EHADRM CN(Cc1cccc2ccccc21)C(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001604189660 972621641 /nfs/dbraw/zinc/62/16/41/972621641.db2.gz BTKJAHBYKDDHGE-SFHVURJKSA-N -1 0 325.408 3.689 20 0 EHADRM CN(Cc1csc2ccccc12)C(=O)Nc1cccnc1C(=O)[O-] ZINC001604196744 972640943 /nfs/dbraw/zinc/64/09/43/972640943.db2.gz CRHNTIJZCIQTKO-UHFFFAOYSA-N -1 0 341.392 3.658 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCC(C)(C)[C@H](c2ccccc2)C1 ZINC001603328884 972684389 /nfs/dbraw/zinc/68/43/89/972684389.db2.gz LVRLGINDIZSVNQ-YWZLYKJASA-N -1 0 329.440 3.530 20 0 EHADRM CC1(C)CCC[C@@H]1[C@@H]1CCN(C(=O)c2coc(/C=C\C(=O)[O-])c2)C1 ZINC001603329079 972687378 /nfs/dbraw/zinc/68/73/78/972687378.db2.gz XWDJCQYUHRRJEW-PICKXAKRSA-N -1 0 331.412 3.666 20 0 EHADRM Cc1c2occ(CC(=O)N3C[C@H](C(=O)[O-])C[C@H](C)C3)c2ccc1Cl ZINC001605081959 972720442 /nfs/dbraw/zinc/72/04/42/972720442.db2.gz SAQRSIOZXVLMJP-CMPLNLGQSA-N -1 0 349.814 3.506 20 0 EHADRM C[C@]1(CCc2ccccc2)CCN(C(=O)[C@@]2(C(=O)[O-])CC=CCC2)C1 ZINC001603339430 972720676 /nfs/dbraw/zinc/72/06/76/972720676.db2.gz CRUIYFLXUBADCP-LEWJYISDSA-N -1 0 341.451 3.669 20 0 EHADRM Cc1cc(-c2csc(NC(=O)CCCC(=O)[O-])n2)c(F)cc1F ZINC001605092385 972743002 /nfs/dbraw/zinc/74/30/02/972743002.db2.gz MGVMDLJQVMLVQY-UHFFFAOYSA-N -1 0 340.351 3.590 20 0 EHADRM Cc1cc(CC(=O)Nc2scc(-c3ccsc3)c2C(=O)[O-])no1 ZINC001605164538 972858303 /nfs/dbraw/zinc/85/83/03/972858303.db2.gz VBZLWQSEMWMCJI-UHFFFAOYSA-N -1 0 348.405 3.652 20 0 EHADRM COc1cc(F)cc(NC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c1 ZINC000396361437 972865407 /nfs/dbraw/zinc/86/54/07/972865407.db2.gz IWNRXOPQRCPGKF-SNVBAGLBSA-N -1 0 332.331 3.666 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1 ZINC000396388027 972871271 /nfs/dbraw/zinc/87/12/71/972871271.db2.gz PTILXIUGTXILMA-MRVPVSSYSA-N -1 0 339.178 3.829 20 0 EHADRM Cc1cc(Cl)cnc1NCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001605172295 972878071 /nfs/dbraw/zinc/87/80/71/972878071.db2.gz AVXBJYWMCFBCBH-GFCCVEGCSA-N -1 0 349.818 3.550 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(OC3CCC3)c(F)c2)CCCCC1 ZINC001605937661 972881775 /nfs/dbraw/zinc/88/17/75/972881775.db2.gz JANFGNHFERYZFT-UHFFFAOYSA-N -1 0 335.375 3.731 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2sccc2-n2cccc2)cc1 ZINC000396540447 972914779 /nfs/dbraw/zinc/91/47/79/972914779.db2.gz ZRVMVNPLVGLGEA-GFCCVEGCSA-N -1 0 340.404 3.979 20 0 EHADRM C[C@H]1C[C@H](CNC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)C[C@@H](C)C1 ZINC001603375741 972927161 /nfs/dbraw/zinc/92/71/61/972927161.db2.gz DWHZCFURBXFHJU-WMRISBIYSA-N -1 0 344.455 3.671 20 0 EHADRM CCN(Cc1ccccc1)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000396645856 972929348 /nfs/dbraw/zinc/92/93/48/972929348.db2.gz RQNNFWJJFLTBPE-CQSZACIVSA-N -1 0 326.396 3.929 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)COc2ccccc2Cl)cc1 ZINC000396656661 972932034 /nfs/dbraw/zinc/93/20/34/972932034.db2.gz WOWWCOIRINRVCX-LLVKDONJSA-N -1 0 333.771 3.546 20 0 EHADRM C[C@@H]1C[C@@H](C)CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)C1 ZINC001603376138 972936200 /nfs/dbraw/zinc/93/62/00/972936200.db2.gz OVOHUTGUEVZIGI-RKDXNWHRSA-N -1 0 328.771 3.687 20 0 EHADRM Cc1ccc(CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])c(OCCCC(C)C)c1 ZINC001605278049 973075308 /nfs/dbraw/zinc/07/53/08/973075308.db2.gz XGQPGGIGJSNUDK-DLBZAZTESA-N -1 0 347.455 3.537 20 0 EHADRM Cc1ccc2sc(CNC(=O)C3(C(=O)[O-])CCCCCC3)nc2c1 ZINC001605315000 973144753 /nfs/dbraw/zinc/14/47/53/973144753.db2.gz RVHKZKMGOKIBCR-UHFFFAOYSA-N -1 0 346.452 3.646 20 0 EHADRM Cc1ccc2occ(CC(=O)N[C@H]3C[C@@H](C(=O)[O-])c4ccccc43)c2c1 ZINC001605315168 973145997 /nfs/dbraw/zinc/14/59/97/973145997.db2.gz XOCREWWSCMZODJ-MSOLQXFVSA-N -1 0 349.386 3.713 20 0 EHADRM Cc1cccc(-c2cnc(NC(=O)C3(CC(=O)[O-])CCC3)s2)c1 ZINC001605319034 973150901 /nfs/dbraw/zinc/15/09/01/973150901.db2.gz XJTZXHKVGGUMLD-UHFFFAOYSA-N -1 0 330.409 3.702 20 0 EHADRM O=C([O-])[C@H]1CN(Cc2cncc(Cl)c2Cl)Cc2ccccc21 ZINC001606048861 973158833 /nfs/dbraw/zinc/15/88/33/973158833.db2.gz ZYJQIYQLPQJTIG-ZDUSSCGKSA-N -1 0 337.206 3.572 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)NC[C@@H]2CCC[C@@H]2c2ccccc2)co1 ZINC001606062319 973180238 /nfs/dbraw/zinc/18/02/38/973180238.db2.gz CFXKCIBBRIGRIL-VSNRRYGASA-N -1 0 339.391 3.691 20 0 EHADRM Cc1cccc(C2(CNC(=O)N(C)CCCC(=O)[O-])CCCCC2)c1 ZINC001605335731 973220448 /nfs/dbraw/zinc/22/04/48/973220448.db2.gz KRAVTKFQJPGAQL-UHFFFAOYSA-N -1 0 346.471 3.703 20 0 EHADRM Cc1cccc(C)c1CNC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001605335835 973221725 /nfs/dbraw/zinc/22/17/25/973221725.db2.gz RPXFSVDYFKKTDD-UHFFFAOYSA-N -1 0 326.396 3.642 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cc(Cl)cc(Cl)c2F)CC[C@@H]1C(=O)[O-] ZINC001603450027 973246056 /nfs/dbraw/zinc/24/60/56/973246056.db2.gz JRIMXCDFTXEHBK-APPZFPTMSA-N -1 0 349.189 3.707 20 0 EHADRM Cc1ccccc1COC(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC001605356431 973273558 /nfs/dbraw/zinc/27/35/58/973273558.db2.gz YEUKKLAJYIZFAA-MRXNPFEDSA-N -1 0 325.364 3.710 20 0 EHADRM Cc1ccsc1CCCC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001605367349 973310788 /nfs/dbraw/zinc/31/07/88/973310788.db2.gz QSLVMUWVUICTRQ-HZSPNIEDSA-N -1 0 337.485 3.631 20 0 EHADRM O=C([O-])CC[C@H]1Cc2ccccc2N(CCCCCn2cccn2)C1 ZINC001606135606 973381477 /nfs/dbraw/zinc/38/14/77/973381477.db2.gz IDIHGHOWPYOBGE-KRWDZBQOSA-N -1 0 341.455 3.597 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)N[C@@H]2CSc3ccccc32)c1 ZINC001606209968 973454908 /nfs/dbraw/zinc/45/49/08/973454908.db2.gz FMYFAXSUGFIYAK-OAHLLOKOSA-N -1 0 342.420 3.672 20 0 EHADRM CC[C@H](CC(F)(F)F)C(=O)N(CCC(=O)[O-])c1ccccc1C ZINC000402531545 973619843 /nfs/dbraw/zinc/61/98/43/973619843.db2.gz VJACHQJTSSODBE-GFCCVEGCSA-N -1 0 331.334 3.781 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)Nc2ccc3c(c2)CCCCC3)C1 ZINC000404505446 973730875 /nfs/dbraw/zinc/73/08/75/973730875.db2.gz BDNLBGXFEJFGDV-CJNGLKHVSA-N -1 0 330.428 3.720 20 0 EHADRM Cn1ncc(C(=O)[O-])c1CN(Cc1ccccc1Cl)C1CCCC1 ZINC001605549707 973760999 /nfs/dbraw/zinc/76/09/99/973760999.db2.gz HHNKLZLWUXEQBU-UHFFFAOYSA-N -1 0 347.846 3.717 20 0 EHADRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000405194490 973778706 /nfs/dbraw/zinc/77/87/06/973778706.db2.gz ZYMOEKWFAVYMGP-CMPLNLGQSA-N -1 0 347.358 3.672 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)/C=C\c1cc(Cl)cc(Cl)c1)CC1CC1 ZINC000405259868 973806182 /nfs/dbraw/zinc/80/61/82/973806182.db2.gz MQPAHMUIYHUGBV-VSQXVHSFSA-N -1 0 342.222 3.624 20 0 EHADRM O=C([O-])[C@@H](CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)CC1CC1 ZINC000405268634 973808708 /nfs/dbraw/zinc/80/87/08/973808708.db2.gz SPPCRNLQSPPZKT-SECBINFHSA-N -1 0 332.278 3.526 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)[C@@H](C)CSCc2ccccc2)C1 ZINC001603594450 973823372 /nfs/dbraw/zinc/82/33/72/973823372.db2.gz WQRQJQYCWDUPOQ-KXBFYZLASA-N -1 0 349.496 3.659 20 0 EHADRM CC[C@@]1(Cc2ccccc2)CCCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001603617167 973900123 /nfs/dbraw/zinc/90/01/23/973900123.db2.gz RPVFBDSKQYGXDY-QKLQHJQFSA-N -1 0 329.440 3.501 20 0 EHADRM COc1cc(C(=O)[O-])cc(NCc2ccc(SC)s2)c1OC ZINC000417567948 973962228 /nfs/dbraw/zinc/96/22/28/973962228.db2.gz OIPQEFNQUJQTKX-UHFFFAOYSA-N -1 0 339.438 3.798 20 0 EHADRM COc1ccc(CNc2ccc(C[C@H](C)C(=O)[O-])cc2)c(C)c1OC ZINC000417612618 973965090 /nfs/dbraw/zinc/96/50/90/973965090.db2.gz RIKKKVNGQJSUIS-ZDUSSCGKSA-N -1 0 343.423 3.888 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NCc2cnc([C@@H]3CCCO3)s2)cc1 ZINC000417623848 973965421 /nfs/dbraw/zinc/96/54/21/973965421.db2.gz JMXKDZLAAFMGAH-HNNXBMFYSA-N -1 0 346.452 3.969 20 0 EHADRM CSCc1cnc(CNc2ccc(C(C)(C)C(=O)[O-])cc2)s1 ZINC000417621803 973965698 /nfs/dbraw/zinc/96/56/98/973965698.db2.gz GDGHTMKEEWWSHO-UHFFFAOYSA-N -1 0 336.482 3.980 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)NCCCCCC(=O)[O-])cc2)cs1 ZINC000417724987 973967798 /nfs/dbraw/zinc/96/77/98/973967798.db2.gz FMVMOAZBYHATQB-UHFFFAOYSA-N -1 0 347.440 3.885 20 0 EHADRM CCCCC1CCC(CNC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)CC1 ZINC001603641401 973990729 /nfs/dbraw/zinc/99/07/29/973990729.db2.gz MZTGNVIDGDRKTP-OTBWCIGPSA-N -1 0 338.492 3.735 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2cc3ccnc(Cl)c3s2)c1 ZINC001606511596 974004301 /nfs/dbraw/zinc/00/43/01/974004301.db2.gz GSQQPLFJWVWVLF-UHFFFAOYSA-N -1 0 346.795 3.578 20 0 EHADRM C[C@H]1CCCC[C@@H]1C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC000425236805 974039311 /nfs/dbraw/zinc/03/93/11/974039311.db2.gz GDIQTCHYTKUFQI-OSMBCOQSSA-N -1 0 349.858 3.793 20 0 EHADRM COc1ccc(Cl)cc1CN(C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001604799709 974039332 /nfs/dbraw/zinc/03/93/32/974039332.db2.gz YGHJGFSLPYWZEX-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM C[C@@H]1CCCC[C@H]1C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000425242010 974039775 /nfs/dbraw/zinc/03/97/75/974039775.db2.gz BMUILSNDQONTRH-TZMCWYRMSA-N -1 0 339.382 3.594 20 0 EHADRM COCc1cc(NC(=O)[C@H](C)c2cccc(Cl)c2)cc(C(=O)[O-])c1 ZINC000427709784 974056289 /nfs/dbraw/zinc/05/62/89/974056289.db2.gz LNFCZNWWPOXRFY-LLVKDONJSA-N -1 0 347.798 3.927 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)Nc2ccc3nc(C4CC4)oc3c2)o1 ZINC001605667597 974066348 /nfs/dbraw/zinc/06/63/48/974066348.db2.gz FUMAUAYYDDEOJJ-YVMONPNESA-N -1 0 338.319 3.648 20 0 EHADRM C[C@H](CNC(=O)c1ccc(Sc2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000431530486 974068066 /nfs/dbraw/zinc/06/80/66/974068066.db2.gz HFLUWINOLFKDSG-SECBINFHSA-N -1 0 339.800 3.535 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2CC(=O)OCc2ccc(C(=O)[O-])cc2)cc1 ZINC001604834171 974077134 /nfs/dbraw/zinc/07/71/34/974077134.db2.gz QKIIYSLKOLIHNW-WMZOPIPTSA-N -1 0 340.375 3.630 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000431996490 974082998 /nfs/dbraw/zinc/08/29/98/974082998.db2.gz XCUWOEKQXDYMFV-GFCCVEGCSA-N -1 0 347.798 3.621 20 0 EHADRM Cc1ccc(NC(=O)CCc2ccccc2C(=O)[O-])c2cccnc12 ZINC000432117955 974088565 /nfs/dbraw/zinc/08/85/65/974088565.db2.gz VPDUOTYQZVXORH-UHFFFAOYSA-N -1 0 334.375 3.813 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)CCCc1ccccc1)c1cccc(F)c1 ZINC000448996096 974135343 /nfs/dbraw/zinc/13/53/43/974135343.db2.gz RAQFZKHTCBYQMU-HXUWFJFHSA-N -1 0 343.398 3.655 20 0 EHADRM Cc1cc(C)c(C(=O)N[C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)o1 ZINC000455925125 974170302 /nfs/dbraw/zinc/17/03/02/974170302.db2.gz KMSLUERMMZJPMM-CYBMUJFWSA-N -1 0 341.285 3.628 20 0 EHADRM O=C([O-])c1ccc([C@H](NC(=O)C2CCCCC2)C(F)(F)F)cc1 ZINC000455930045 974171368 /nfs/dbraw/zinc/17/13/68/974171368.db2.gz NRWCHLZMVVBTSY-ZDUSSCGKSA-N -1 0 329.318 3.685 20 0 EHADRM CCc1occc1C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000455934761 974173514 /nfs/dbraw/zinc/17/35/14/974173514.db2.gz SIOJXYWLIWNXAH-CYBMUJFWSA-N -1 0 341.285 3.574 20 0 EHADRM Cc1c(Cl)cccc1OCC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000467931742 974193079 /nfs/dbraw/zinc/19/30/79/974193079.db2.gz ZQNFIIJDSFXWKU-UHFFFAOYSA-N -1 0 347.798 3.683 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCc2ccc(Cl)cc2Cl)c(F)c1 ZINC000478837114 974209299 /nfs/dbraw/zinc/20/92/99/974209299.db2.gz LKVNTXQXMWIXJI-UHFFFAOYSA-N -1 0 342.153 3.761 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCC[C@H]2Cc2ccccc2)c(F)c1 ZINC000478843111 974210328 /nfs/dbraw/zinc/21/03/28/974210328.db2.gz UCTULYDHVHIKOR-INIZCTEOSA-N -1 0 341.382 3.761 20 0 EHADRM CC(C)Oc1ccc(F)cc1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000478845246 974210885 /nfs/dbraw/zinc/21/08/85/974210885.db2.gz NJCZEYMVSIDHLP-UHFFFAOYSA-N -1 0 335.306 3.703 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)Cn1ccc2ccc(Cl)cc21 ZINC000486190791 974245039 /nfs/dbraw/zinc/24/50/39/974245039.db2.gz IVBZYIMJSRMRSO-UHFFFAOYSA-N -1 0 342.782 3.940 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)/C=C\c2nc3ccccc3s2)cc1 ZINC000492467723 974258770 /nfs/dbraw/zinc/25/87/70/974258770.db2.gz CSRJLRWXEKUVGK-KTKRTIGZSA-N -1 0 338.388 3.575 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CC(C)(C)C[C@@H]1c1ccccc1 ZINC000514732122 974291771 /nfs/dbraw/zinc/29/17/71/974291771.db2.gz BNPAGPZXEAGTNF-OAHLLOKOSA-N -1 0 341.407 3.829 20 0 EHADRM CC1(C)CN([C@@H](C(=O)[O-])c2ccsc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000514791344 974292942 /nfs/dbraw/zinc/29/29/42/974292942.db2.gz NWISSYPKLQVRJW-PXMRGAAZSA-N -1 0 335.469 3.543 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000514877382 974294254 /nfs/dbraw/zinc/29/42/54/974294254.db2.gz TUAKBWOMDRLSMW-KYJSFNMBSA-N -1 0 347.455 3.874 20 0 EHADRM O=C([O-])[C@H]1CCCN1C(=O)c1cc2cc(C(F)(F)F)ccc2s1 ZINC000518397140 974322990 /nfs/dbraw/zinc/32/29/90/974322990.db2.gz FSGBZFJCFWSRGM-SNVBAGLBSA-N -1 0 343.326 3.609 20 0 EHADRM Cc1ccc(-c2cc(C(=O)Nc3cc(C(=O)[O-])ccc3C)n[nH]2)cc1 ZINC000532595568 974375473 /nfs/dbraw/zinc/37/54/73/974375473.db2.gz BJOAEJXOEQYCOT-UHFFFAOYSA-N -1 0 335.363 3.644 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H](c2cccs2)c2ccc(F)cc2)o1 ZINC000537476824 974385590 /nfs/dbraw/zinc/38/55/90/974385590.db2.gz VUSGBCXRJTZMOX-HNNXBMFYSA-N -1 0 345.351 3.698 20 0 EHADRM O=C([O-])CC1(CNC(=O)C2(Cc3ccccc3)CCC2)CCCCC1 ZINC000539676370 974398577 /nfs/dbraw/zinc/39/85/77/974398577.db2.gz OZJWBGLLVNNABQ-UHFFFAOYSA-N -1 0 343.467 3.941 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)Cc2ccccc2C(=O)[O-])cc1C ZINC000540774762 974407409 /nfs/dbraw/zinc/40/74/09/974407409.db2.gz SUJOEUKVIMTTOY-LJQANCHMSA-N -1 0 337.419 3.908 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)Cc2ccccc2C(=O)[O-])cc1C ZINC000540774757 974407673 /nfs/dbraw/zinc/40/76/73/974407673.db2.gz SUJOEUKVIMTTOY-IBGZPJMESA-N -1 0 337.419 3.908 20 0 EHADRM Cc1ccc(NC(=O)CCc2ccc(OC(F)F)cc2)c(C(=O)[O-])c1 ZINC000544407977 974421065 /nfs/dbraw/zinc/42/10/65/974421065.db2.gz ODZURXXUGBHOCP-UHFFFAOYSA-N -1 0 349.333 3.866 20 0 EHADRM COc1cccc2c1CCN(Cc1ccc(C(=O)[O-])c(Cl)c1)C2 ZINC000566860433 974623876 /nfs/dbraw/zinc/62/38/76/974623876.db2.gz LTBJLAGKCZWSEG-UHFFFAOYSA-N -1 0 331.799 3.605 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000568284290 974665536 /nfs/dbraw/zinc/66/55/36/974665536.db2.gz BKVNBZWHOAMDIH-PBHICJAKSA-N -1 0 333.428 3.926 20 0 EHADRM O=C([O-])c1coc(CN(CCC(F)(F)F)Cc2ccccc2)c1 ZINC000568641326 974675761 /nfs/dbraw/zinc/67/57/61/974675761.db2.gz JYUALNZYDCTZED-UHFFFAOYSA-N -1 0 327.302 3.932 20 0 EHADRM Cc1ccc(Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)c(C(N)=O)c1 ZINC001211487773 1014213796 /nfs/dbraw/zinc/21/37/96/1014213796.db2.gz OGLZCHKHUJUKCH-UHFFFAOYSA-N -1 0 338.285 3.555 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)nc1 ZINC000570740056 974717525 /nfs/dbraw/zinc/71/75/25/974717525.db2.gz HTXSDOLZLKVEJJ-UHFFFAOYSA-N -1 0 326.396 3.820 20 0 EHADRM O=C([O-])[C@H](c1cccnc1)N1CC2(CCCC2)c2c1cccc2F ZINC000570808706 974719234 /nfs/dbraw/zinc/71/92/34/974719234.db2.gz XFMQKXVBNLAELM-KRWDZBQOSA-N -1 0 326.371 3.678 20 0 EHADRM CC(C)(c1ccccc1)C1(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000572424425 974748036 /nfs/dbraw/zinc/74/80/36/974748036.db2.gz GNBLQZWIWLQFFZ-LSDHHAIUSA-N -1 0 329.440 3.504 20 0 EHADRM CC1(CC(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)CCCCC1 ZINC000573507215 974767365 /nfs/dbraw/zinc/76/73/65/974767365.db2.gz SUWGDRAFBNTBQR-FQEVSTJZSA-N -1 0 329.440 3.602 20 0 EHADRM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000574509514 974783241 /nfs/dbraw/zinc/78/32/41/974783241.db2.gz HIEMWALPAUEJAU-WKILWMFISA-N -1 0 331.456 3.834 20 0 EHADRM O=C([O-])c1ccc(OCCN2CCc3ccsc3C2)c(Cl)c1 ZINC000582425764 974925918 /nfs/dbraw/zinc/92/59/18/974925918.db2.gz MUMYSEGYPHESEU-UHFFFAOYSA-N -1 0 337.828 3.537 20 0 EHADRM C[C@H](CC(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1)n1cccc1 ZINC000584458383 974955041 /nfs/dbraw/zinc/95/50/41/974955041.db2.gz MYJFGURQGCMITQ-WBVHZDCISA-N -1 0 334.460 3.759 20 0 EHADRM CCCC[C@H](C(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC)C(C)C ZINC000621534984 975027980 /nfs/dbraw/zinc/02/79/80/975027980.db2.gz WNFZBEKNVFMECJ-ZDUSSCGKSA-N -1 0 337.416 3.803 20 0 EHADRM CCn1cc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)c2ccccc21 ZINC000621555940 975031695 /nfs/dbraw/zinc/03/16/95/975031695.db2.gz WJDDAWNCSSNIGA-AWEZNQCLSA-N -1 0 342.420 3.669 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)CCCc1ccccc1 ZINC000621588415 975045973 /nfs/dbraw/zinc/04/59/73/975045973.db2.gz XLNVIKPLRMJACE-OALUTQOASA-N -1 0 337.419 3.826 20 0 EHADRM C[C@@H](NC(=O)c1ccc(OC(C)(C)C)cc1)c1ncc(C(=O)[O-])s1 ZINC000621610291 975058432 /nfs/dbraw/zinc/05/84/32/975058432.db2.gz FPJVNKKIFVRDCG-SNVBAGLBSA-N -1 0 348.424 3.510 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)CC2 ZINC000626761338 975069762 /nfs/dbraw/zinc/06/97/62/975069762.db2.gz UQVYVXILOQURPE-FDQGKXFDSA-N -1 0 344.455 3.550 20 0 EHADRM O=C([O-])c1ccc(F)c2c1CN(c1ccnc(C(F)(F)F)c1)CC2 ZINC000629384372 975092710 /nfs/dbraw/zinc/09/27/10/975092710.db2.gz RUWCMERSCLYBQZ-UHFFFAOYSA-N -1 0 340.276 3.500 20 0 EHADRM O=C([O-])c1ccc(F)c2c1CN(c1ncc(C(F)(F)F)s1)CC2 ZINC000629383921 975092924 /nfs/dbraw/zinc/09/29/24/975092924.db2.gz BXUVDYMNQSJUHC-UHFFFAOYSA-N -1 0 346.305 3.562 20 0 EHADRM CC[C@@H]1CCCC[C@H]1C(=O)N[C@H](CC(=O)[O-])c1ccc(OC)cc1 ZINC000630098273 975100039 /nfs/dbraw/zinc/10/00/39/975100039.db2.gz QLYDCSIKNSOGJS-KBRIMQKVSA-N -1 0 333.428 3.544 20 0 EHADRM Cc1ccccc1C[C@H](C)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000630100919 975101324 /nfs/dbraw/zinc/10/13/24/975101324.db2.gz IAXLWORETODREL-DZGCQCFKSA-N -1 0 331.437 3.567 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@@H](Cc3ccc(C)cc3)C2)oc1C(=O)[O-] ZINC000630114528 975107790 /nfs/dbraw/zinc/10/77/90/975107790.db2.gz QQDCFPBAVBCGAJ-INIZCTEOSA-N -1 0 341.407 3.690 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)C[C@H](C)c2ccco2)cc1 ZINC000630144912 975128408 /nfs/dbraw/zinc/12/84/08/975128408.db2.gz ODVIQUDCENMUEW-WFASDCNBSA-N -1 0 347.436 3.827 20 0 EHADRM Cc1cc(C(=O)N2CC[C@H](C)[C@H]2c2cccc(F)c2)oc1C(=O)[O-] ZINC000630152331 975131874 /nfs/dbraw/zinc/13/18/74/975131874.db2.gz JELLUUHPNQVCJM-BONVTDFDSA-N -1 0 331.343 3.649 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)CC(C1CCC1)C1CCC1)CC2 ZINC000630156688 975134317 /nfs/dbraw/zinc/13/43/17/975134317.db2.gz HQSKDTZGKWPEAF-UHFFFAOYSA-N -1 0 341.451 3.876 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000630157733 975134678 /nfs/dbraw/zinc/13/46/78/975134678.db2.gz TWLGWWSFAGHQCX-UHFFFAOYSA-N -1 0 344.238 3.639 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)cc1 ZINC000630161613 975136708 /nfs/dbraw/zinc/13/67/08/975136708.db2.gz YAGXJBCJOLDXMG-DLBZAZTESA-N -1 0 327.355 3.585 20 0 EHADRM CCC[C@@H](C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1)c1ccccn1 ZINC000630162334 975137464 /nfs/dbraw/zinc/13/74/64/975137464.db2.gz IHVMALDDEHNCGH-RHSMWYFYSA-N -1 0 340.423 3.867 20 0 EHADRM O=C([O-])[C@H](CNC(=O)CC(C1CCC1)C1CCC1)c1ccc(F)cc1 ZINC000630178940 975144911 /nfs/dbraw/zinc/14/49/11/975144911.db2.gz YFUYVGMFCYCLPD-GOSISDBHSA-N -1 0 347.430 3.717 20 0 EHADRM O=C([O-])c1cncc(C(=O)N2CCCC[C@@H]2c2cccc(Cl)c2)c1 ZINC000630181798 975145265 /nfs/dbraw/zinc/14/52/65/975145265.db2.gz VJCUHKQBUGLWDS-MRXNPFEDSA-N -1 0 344.798 3.801 20 0 EHADRM Cc1cc(C(=O)N2CC(C)(C)C[C@H]2c2ccccc2)oc1C(=O)[O-] ZINC000630199477 975156910 /nfs/dbraw/zinc/15/69/10/975156910.db2.gz LQYFCUVRMSYCDJ-AWEZNQCLSA-N -1 0 327.380 3.900 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC000630220360 975166400 /nfs/dbraw/zinc/16/64/00/975166400.db2.gz VLZRPKKGWBDOPX-HZPDHXFCSA-N -1 0 335.403 3.811 20 0 EHADRM CC(C)(C)CCCC(=O)N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000630245931 975191995 /nfs/dbraw/zinc/19/19/95/975191995.db2.gz OCGBJMBLKLCLTP-UHFFFAOYSA-N -1 0 338.473 3.764 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)C(C)(C)C2CCCC2)cc1F)C(=O)[O-] ZINC000630257524 975200374 /nfs/dbraw/zinc/20/03/74/975200374.db2.gz AUUZIBIWYQGYJJ-NSHDSACASA-N -1 0 337.391 3.833 20 0 EHADRM CC(C)CC1(C(=O)Nc2ccc(O[C@@H](C)C(=O)[O-])c(F)c2)CCC1 ZINC000630259114 975202853 /nfs/dbraw/zinc/20/28/53/975202853.db2.gz WLHHHJIVLNBIMG-LBPRGKRZSA-N -1 0 337.391 3.833 20 0 EHADRM Cc1[nH]c2ccc(C(=O)N3CC[C@H](C(=O)[O-])[C@@H]4CCC[C@@H]43)cc2c1C ZINC000630285305 975229587 /nfs/dbraw/zinc/22/95/87/975229587.db2.gz ZOPYAHKMAHLGNL-MPGHIAIKSA-N -1 0 340.423 3.500 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC000630287536 975231511 /nfs/dbraw/zinc/23/15/11/975231511.db2.gz YYVDNPBBSPSRAG-QZWWFDLISA-N -1 0 347.480 3.659 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)NCc1cc(C2CC2)ccc1F ZINC000630299159 975238331 /nfs/dbraw/zinc/23/83/31/975238331.db2.gz JYSBGMQRNDDQJE-UHFFFAOYSA-N -1 0 341.382 3.650 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)NC[C@@H]1CCCC12CC2)C(=O)[O-] ZINC000630306188 975242189 /nfs/dbraw/zinc/24/21/89/975242189.db2.gz VZHYFSNATYGETC-OLZOCXBDSA-N -1 0 333.453 3.562 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000630328655 975256027 /nfs/dbraw/zinc/25/60/27/975256027.db2.gz QZUDCUPKPIYDIE-UYHISHBKSA-N -1 0 341.382 3.831 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cc(C(F)F)ccc2Cl)CC[C@H]1C(=O)[O-] ZINC000630564956 975267706 /nfs/dbraw/zinc/26/77/06/975267706.db2.gz QSEGXLNGHDJKCE-WCBMZHEXSA-N -1 0 346.761 3.852 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccccc1COCc1ccccc1 ZINC000634817773 975277372 /nfs/dbraw/zinc/27/73/72/975277372.db2.gz NPZLADRZMGFBTJ-OAHLLOKOSA-N -1 0 341.407 3.843 20 0 EHADRM O=C([O-])CC1(CC(=O)N2CCC[C@H]2c2cccc(F)c2)CCCC1 ZINC000634868270 975279468 /nfs/dbraw/zinc/27/94/68/975279468.db2.gz AUNWMUYNQMTDCX-INIZCTEOSA-N -1 0 333.403 3.914 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2ccc3ccccc3c2)C2CC2)cn1 ZINC000642042562 975286969 /nfs/dbraw/zinc/28/69/69/975286969.db2.gz QSKDRVHWRUDYFR-UHFFFAOYSA-N -1 0 346.386 3.738 20 0 EHADRM COc1cc2ccccc2cc1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000642146342 975288028 /nfs/dbraw/zinc/28/80/28/975288028.db2.gz DHYZTUBTDPMBGM-UHFFFAOYSA-N -1 0 339.322 3.938 20 0 EHADRM CCCN(C(=O)c1ccc(C(=O)[O-])nc1)[C@@H](CC)c1ccccc1 ZINC000642064734 975288189 /nfs/dbraw/zinc/28/81/89/975288189.db2.gz TWMKPHNQQWOEMT-KRWDZBQOSA-N -1 0 326.396 3.783 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C1CC1)c1ccc(OCC(=O)[O-])cc1 ZINC000649251150 975389117 /nfs/dbraw/zinc/38/91/17/975389117.db2.gz MEESLKPZJZNNGR-MORSLUCNSA-N -1 0 345.439 3.544 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)NC[C@@H]1CC2CCC1CC2)C(=O)[O-] ZINC000649255906 975395087 /nfs/dbraw/zinc/39/50/87/975395087.db2.gz DDFGOAIBPVEVKY-URGYJCLVSA-N -1 0 347.480 3.808 20 0 EHADRM CC[C@@H](CNC(=O)c1ccc(SCc2ccccc2)cc1)C(=O)[O-] ZINC000649261704 975404437 /nfs/dbraw/zinc/40/44/37/975404437.db2.gz OTPDZBRJIOVVJY-HNNXBMFYSA-N -1 0 343.448 3.820 20 0 EHADRM CC[C@H](CNC(=O)CCCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000649261754 975404477 /nfs/dbraw/zinc/40/44/77/975404477.db2.gz PXHFXIOUWKTFDU-LLVKDONJSA-N -1 0 332.227 3.543 20 0 EHADRM CC[C@H](CNC(=O)c1cc(SC)c(Cl)cc1Cl)C(=O)[O-] ZINC000649264233 975405358 /nfs/dbraw/zinc/40/53/58/975405358.db2.gz VPESLYOSEGRSFH-SSDOTTSWSA-N -1 0 336.240 3.556 20 0 EHADRM CCc1ccc2occ(C(=O)N3CCC[C@H](C(C)(C)C(=O)[O-])C3)c2c1 ZINC000649364258 975408555 /nfs/dbraw/zinc/40/85/55/975408555.db2.gz PRZITYMQNBXJJH-AWEZNQCLSA-N -1 0 343.423 3.958 20 0 EHADRM Cc1csc(-c2cccc(C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])c2)n1 ZINC000652077109 975474182 /nfs/dbraw/zinc/47/41/82/975474182.db2.gz OGEAUIXWMIXFDB-AWEZNQCLSA-N -1 0 346.452 3.738 20 0 EHADRM CC(C)O[C@H](C(=O)O[C@@H](C)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC001591687109 975500725 /nfs/dbraw/zinc/50/07/25/975500725.db2.gz UOCMLOLJRNPFST-LRDDRELGSA-N -1 0 332.352 3.748 20 0 EHADRM Cc1ncsc1CN(C)[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000652409358 975524883 /nfs/dbraw/zinc/52/48/83/975524883.db2.gz PZKAGCFXGRYQAJ-CYBMUJFWSA-N -1 0 328.796 3.502 20 0 EHADRM Cc1ccccc1[C@H](C(=O)[O-])N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000652409679 975524921 /nfs/dbraw/zinc/52/49/21/975524921.db2.gz HLXPRPCATVXVJE-QZTJIDSGSA-N -1 0 345.826 3.848 20 0 EHADRM Cc1cc([C@@H](C)N2CCO[C@@H](c3ccccc3C)C2)oc1C(=O)[O-] ZINC000652417277 975527911 /nfs/dbraw/zinc/52/79/11/975527911.db2.gz IFPSSVILMGKQFK-RHSMWYFYSA-N -1 0 329.396 3.729 20 0 EHADRM CC(C)OC1(CNc2ncc(C(=O)[O-])cc2C(F)(F)F)CCC1 ZINC001591696235 975532426 /nfs/dbraw/zinc/53/24/26/975532426.db2.gz ORTZKKAGJQEPDY-UHFFFAOYSA-N -1 0 332.322 3.558 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)c2cccc(CC(=O)[O-])c2)c1C ZINC000653641731 975609538 /nfs/dbraw/zinc/60/95/38/975609538.db2.gz VSKDQQJBVFQHRB-LJQANCHMSA-N -1 0 337.419 3.908 20 0 EHADRM CC(C)c1ccc(C[C@H](C)NC(=O)c2cccc(CC(=O)[O-])c2)cc1 ZINC000653644597 975613985 /nfs/dbraw/zinc/61/39/85/975613985.db2.gz YNSONNNHCLXBNO-HNNXBMFYSA-N -1 0 339.435 3.798 20 0 EHADRM O=C([O-])c1ccc2c(c1)[C@@H](CNc1ncc(C(F)F)cn1)CCC2 ZINC000656783737 975706644 /nfs/dbraw/zinc/70/66/44/975706644.db2.gz VGOUMRWOKHZCOW-GFCCVEGCSA-N -1 0 333.338 3.644 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000659119229 975716010 /nfs/dbraw/zinc/71/60/10/975716010.db2.gz DMAWWAFFZLTYSA-CYBMUJFWSA-N -1 0 347.798 3.787 20 0 EHADRM CCN(C(=O)c1cc(C(=O)[O-])oc1C)[C@H](C)c1cccc(OC)c1 ZINC000659121106 975719210 /nfs/dbraw/zinc/71/92/10/975719210.db2.gz VHTBICMMCQYOQE-LLVKDONJSA-N -1 0 331.368 3.518 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(C(C)C)cn1 ZINC000659124657 975725619 /nfs/dbraw/zinc/72/56/19/975725619.db2.gz SPDDQJGUDFQKGO-UHFFFAOYSA-N -1 0 342.395 3.943 20 0 EHADRM CC(C)OCc1ccccc1CNC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001591735863 975728338 /nfs/dbraw/zinc/72/83/38/975728338.db2.gz WLVXQNBOHJXLKL-UHFFFAOYSA-N -1 0 342.395 3.632 20 0 EHADRM CC(C)(CC(F)(F)F)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000659137561 975738252 /nfs/dbraw/zinc/73/82/52/975738252.db2.gz YBDBMXAVGXSZCV-UHFFFAOYSA-N -1 0 331.334 3.966 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)C2CCC3(CC3)CC2)cc1Cl ZINC000659139950 975739217 /nfs/dbraw/zinc/73/92/17/975739217.db2.gz XMUHPWAQBJYQOJ-UHFFFAOYSA-N -1 0 337.803 3.712 20 0 EHADRM CCC1(C(=O)N2CCC(CCC(=O)[O-])CC2)CCC(F)(F)CC1 ZINC000659141550 975742067 /nfs/dbraw/zinc/74/20/67/975742067.db2.gz IWQQQLWYZUAAPB-UHFFFAOYSA-N -1 0 331.403 3.696 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C[C@@]23CCCC[C@@H]2C3(F)F)C1 ZINC000659144829 975744696 /nfs/dbraw/zinc/74/46/96/975744696.db2.gz LFNGDMCJWUCTQI-IGCXYCKISA-N -1 0 343.414 3.551 20 0 EHADRM CC(C)Oc1c(NC(=O)N(C)[C@H](C)c2ccco2)cccc1C(=O)[O-] ZINC001591741767 975758128 /nfs/dbraw/zinc/75/81/28/975758128.db2.gz QEDLXAXDVMGMKO-GFCCVEGCSA-N -1 0 346.383 3.990 20 0 EHADRM Cc1cc([C@H](NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)C2CC2)ccc1F ZINC000659166791 975765483 /nfs/dbraw/zinc/76/54/83/975765483.db2.gz YLIQAWXZUATOCL-ZMSDIMECSA-N -1 0 333.403 3.592 20 0 EHADRM Cc1cc([C@H](NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C2CC2)ccc1F ZINC000659166784 975765594 /nfs/dbraw/zinc/76/55/94/975765594.db2.gz YLIQAWXZUATOCL-HLLBOEOZSA-N -1 0 333.403 3.592 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2)C1 ZINC000659166953 975765689 /nfs/dbraw/zinc/76/56/89/975765689.db2.gz XSRVMIOZZPJVAH-GHMZBOCLSA-N -1 0 330.211 3.501 20 0 EHADRM CC(C)Oc1c(NC(=O)N[C@@H](C)c2cscn2)cccc1C(=O)[O-] ZINC001591744560 975770240 /nfs/dbraw/zinc/77/02/40/975770240.db2.gz PPUZVWLVIFVAAJ-JTQLQIEISA-N -1 0 349.412 3.511 20 0 EHADRM CSc1ccc(C(=O)NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)o1 ZINC000659185895 975782815 /nfs/dbraw/zinc/78/28/15/975782815.db2.gz WKCZMMIYXSLLGX-CYBMUJFWSA-N -1 0 345.420 3.550 20 0 EHADRM O=C([O-])c1ccc2c(c1)[C@@H](CNC(=O)CCc1cccs1)CCC2 ZINC000659186165 975783035 /nfs/dbraw/zinc/78/30/35/975783035.db2.gz XBQCGBOGQLFOHJ-OAHLLOKOSA-N -1 0 343.448 3.615 20 0 EHADRM CC(C)Oc1c(NC(=O)N[C@@H](C)C2CCCC2)cccc1C(=O)[O-] ZINC001591746904 975787392 /nfs/dbraw/zinc/78/73/92/975787392.db2.gz UJWLSPMCQXSQJR-LBPRGKRZSA-N -1 0 334.416 3.872 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000659195058 975797440 /nfs/dbraw/zinc/79/74/40/975797440.db2.gz OGVRCHNEVDAURH-XGXHKWSGSA-N -1 0 343.467 3.981 20 0 EHADRM Cc1ccc2oc(C(=O)N3CC[C@H](C(=O)[O-])[C@H]4CCCC[C@H]43)cc2c1 ZINC000659196038 975799795 /nfs/dbraw/zinc/79/97/95/975799795.db2.gz SFIAYDVGMMLMNO-OWCLPIDISA-N -1 0 341.407 3.847 20 0 EHADRM CC(C)(CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000659196488 975801691 /nfs/dbraw/zinc/80/16/91/975801691.db2.gz VAMSPBGTUOAMIT-BZSNNMDCSA-N -1 0 343.467 3.846 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)NCc2ccoc2C(=O)[O-])cc1 ZINC000659199945 975806657 /nfs/dbraw/zinc/80/66/57/975806657.db2.gz CBNFWJRFHKKXAJ-ZDUSSCGKSA-N -1 0 329.396 3.911 20 0 EHADRM CC(C)Oc1ccc(C(=O)CSc2nc(C(=O)[O-])cs2)cc1 ZINC001591758689 975837188 /nfs/dbraw/zinc/83/71/88/975837188.db2.gz JTCFWSORRMQRNH-UHFFFAOYSA-N -1 0 337.422 3.604 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1CCCCC1(F)F ZINC001591761512 975852154 /nfs/dbraw/zinc/85/21/54/975852154.db2.gz NNMVAKOWRVFQBK-GFCCVEGCSA-N -1 0 341.354 3.936 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CCC[C@H](C2CC2)C1 ZINC001591763120 975862511 /nfs/dbraw/zinc/86/25/11/975862511.db2.gz FUWBVTBNVDZIOH-HNNXBMFYSA-N -1 0 346.427 3.826 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CC[C@H](C)[C@@H](C)C1 ZINC001591763317 975866570 /nfs/dbraw/zinc/86/65/70/975866570.db2.gz NFPYRAXDLWYUBC-STQMWFEESA-N -1 0 334.416 3.682 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2scnc2C2CCCC2)CC1 ZINC000659775706 975872072 /nfs/dbraw/zinc/87/20/72/975872072.db2.gz CSSCJUNYAABWBP-UHFFFAOYSA-N -1 0 336.457 3.518 20 0 EHADRM CC(C)Oc1ccc([C@@H](C)NC(=O)c2cc(F)cc(C(=O)[O-])c2)cc1 ZINC001591772775 975907748 /nfs/dbraw/zinc/90/77/48/975907748.db2.gz KQSVUHSHWYBYCS-GFCCVEGCSA-N -1 0 345.370 3.802 20 0 EHADRM CSc1cc(C)c(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)o1 ZINC000663054849 975921917 /nfs/dbraw/zinc/92/19/17/975921917.db2.gz RHESBIKMSYUAIF-GFCCVEGCSA-N -1 0 331.393 3.529 20 0 EHADRM CC(C)[C@@H](NC(=O)NCCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000666512782 975964488 /nfs/dbraw/zinc/96/44/88/975964488.db2.gz ATBOHDJJRMIJNC-OAHLLOKOSA-N -1 0 326.824 3.591 20 0 EHADRM CC(C)Oc1ccc(NC(=O)c2ccc(C(C)C)cn2)c(C(=O)[O-])c1 ZINC001591788008 975966336 /nfs/dbraw/zinc/96/63/36/975966336.db2.gz JLERVAPCNRTEMZ-UHFFFAOYSA-N -1 0 342.395 3.943 20 0 EHADRM CC(C)Oc1ccc(NC(=O)c2ncc(Cl)s2)c(C(=O)[O-])c1 ZINC001591788461 975973904 /nfs/dbraw/zinc/97/39/04/975973904.db2.gz JUKWKRAUQVSWPX-UHFFFAOYSA-N -1 0 340.788 3.534 20 0 EHADRM Cc1cc(NC(=O)c2cccc([C@H]3CCCOC3)c2)ccc1C(=O)[O-] ZINC000668274551 975980864 /nfs/dbraw/zinc/98/08/64/975980864.db2.gz GEJUHPHOHCLMNK-INIZCTEOSA-N -1 0 339.391 3.840 20 0 EHADRM CC(C)Oc1ccc2ccccc2c1CNc1ncncc1C(=O)[O-] ZINC001591791748 975989120 /nfs/dbraw/zinc/98/91/20/975989120.db2.gz MPOAQJQSOKGNFI-UHFFFAOYSA-N -1 0 337.379 3.727 20 0 EHADRM CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000668316355 975994565 /nfs/dbraw/zinc/99/45/65/975994565.db2.gz FNJQWXOJOQIHNY-DWRORGKVSA-N -1 0 343.467 3.953 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000678973578 976032405 /nfs/dbraw/zinc/03/24/05/976032405.db2.gz GUICWGKUYIAAIS-INIZCTEOSA-N -1 0 347.455 3.618 20 0 EHADRM C[C@H](C(=O)N1CCC(CC(=O)[O-])CC1)c1c(Cl)cccc1Cl ZINC000678977430 976033301 /nfs/dbraw/zinc/03/33/01/976033301.db2.gz UDDFQPJLTZNYAZ-JTQLQIEISA-N -1 0 344.238 3.810 20 0 EHADRM CCn1cc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c2ccccc21 ZINC000679102986 976044343 /nfs/dbraw/zinc/04/43/43/976044343.db2.gz MGKQAJWLDBHBGD-CQSZACIVSA-N -1 0 342.439 3.624 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)CCc1ccc2ccccc2c1 ZINC000679400779 976051202 /nfs/dbraw/zinc/05/12/02/976051202.db2.gz SFJJVMQONPHCGI-SFHVURJKSA-N -1 0 325.408 3.628 20 0 EHADRM Cc1ccc2nc(C3CC3)cc(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)c2c1 ZINC000683306581 976083319 /nfs/dbraw/zinc/08/33/19/976083319.db2.gz DHOOQQKMYKMFAR-QGZVFWFLSA-N -1 0 340.423 3.650 20 0 EHADRM Cc1c(NC(=O)c2ccc(OC3CCCC3)nc2)cccc1C(=O)[O-] ZINC000683303666 976084117 /nfs/dbraw/zinc/08/41/17/976084117.db2.gz HJJCIDUMZWVERW-UHFFFAOYSA-N -1 0 340.379 3.662 20 0 EHADRM CC(C)Sc1ccc(C(=O)N(C2CC2)C2(C(=O)[O-])CCC2)cc1 ZINC001591828327 976085473 /nfs/dbraw/zinc/08/54/73/976085473.db2.gz LTHIEZGDPMLYTR-UHFFFAOYSA-N -1 0 333.453 3.799 20 0 EHADRM CC(C)[C@@H]1C[C@@H](OC(=O)CCc2ocnc2C(=O)[O-])c2ccccc21 ZINC001591846083 976126265 /nfs/dbraw/zinc/12/62/65/976126265.db2.gz JSWYZNYMDCDSMY-GOEBONIOSA-N -1 0 343.379 3.733 20 0 EHADRM CC(C)[C@@H]1C[C@H](NC(=O)Nc2ccc(C(=O)[O-])nc2)c2ccccc21 ZINC001591846889 976131814 /nfs/dbraw/zinc/13/18/14/976131814.db2.gz ZXBLRYDFACPFKB-RDJZCZTQSA-N -1 0 339.395 3.786 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)NCc1ccc(C(=O)[O-])o1)CC2 ZINC001591973512 976576545 /nfs/dbraw/zinc/57/65/45/976576545.db2.gz CHEHFCOCTRDFHT-INIZCTEOSA-N -1 0 342.395 3.588 20 0 EHADRM CC(C)c1ccc(OCCC(=O)NCC2(CC(=O)[O-])CCCC2)cc1 ZINC001591974380 976588714 /nfs/dbraw/zinc/58/87/14/976588714.db2.gz UACGAAMWPSTXRF-UHFFFAOYSA-N -1 0 347.455 3.730 20 0 EHADRM CC(C)c1cccc(CNC(=O)Nc2cc(C(=O)[O-])cnc2Cl)c1 ZINC001591987360 976612446 /nfs/dbraw/zinc/61/24/46/976612446.db2.gz OOBUZUOLZAZGHP-UHFFFAOYSA-N -1 0 347.802 3.878 20 0 EHADRM CC(C)c1ccccc1N(C)CC(=O)Nc1ccccc1C(=O)[O-] ZINC001591993989 976626925 /nfs/dbraw/zinc/62/69/25/976626925.db2.gz FGFJVDJJONHRCO-UHFFFAOYSA-N -1 0 326.396 3.583 20 0 EHADRM CC(C)c1cccc2c1CCN(C(=O)/C=C/c1cc(C(=O)[O-])co1)C2 ZINC001591994857 976637802 /nfs/dbraw/zinc/63/78/02/976637802.db2.gz VDDRDVWCPKZLCS-VOTSOKGWSA-N -1 0 339.391 3.699 20 0 EHADRM CC(C)c1nc(N2CCC[C@H](CCC(=O)[O-])C2)cc(C(C)(C)C)n1 ZINC001592021255 976713679 /nfs/dbraw/zinc/71/36/79/976713679.db2.gz ABZVTQQDFSJAHZ-CQSZACIVSA-N -1 0 333.476 3.979 20 0 EHADRM CC(C)c1nc(NC(=O)C[C@@H]2CCCC2(F)F)sc1C(=O)[O-] ZINC001592021932 976717282 /nfs/dbraw/zinc/71/72/82/976717282.db2.gz IZQVYMMAONPXMY-QMMMGPOBSA-N -1 0 332.372 3.729 20 0 EHADRM CC(C)c1nc2cc(NC(=O)NC[C@H](CC(=O)[O-])C3CC3)ccc2o1 ZINC001592030564 976737175 /nfs/dbraw/zinc/73/71/75/976737175.db2.gz VHGWZZMIRCYVPE-LBPRGKRZSA-N -1 0 345.399 3.574 20 0 EHADRM CC(C)c1ncsc1C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001592042650 976771358 /nfs/dbraw/zinc/77/13/58/976771358.db2.gz PUIUZHZROSXWFO-LBPRGKRZSA-N -1 0 339.800 3.903 20 0 EHADRM CC(C)c1nnc(N2CCC(C(=O)[O-])CC2)n1C[C@@H]1CCCC1(C)C ZINC001592061480 976818023 /nfs/dbraw/zinc/81/80/23/976818023.db2.gz UTWBSXJYFJTYNX-HNNXBMFYSA-N -1 0 348.491 3.529 20 0 EHADRM CC(C)c1nnc(S[C@@H](C(=O)[O-])c2ccc(Cl)cc2)n1C ZINC001592075574 976824562 /nfs/dbraw/zinc/82/45/62/976824562.db2.gz HMBLXPTVNWGDJT-LLVKDONJSA-N -1 0 325.821 3.510 20 0 EHADRM CC(C)c1nnsc1C(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001592093507 976842886 /nfs/dbraw/zinc/84/28/86/976842886.db2.gz BGVZDLRNNCNRID-CYBMUJFWSA-N -1 0 346.408 3.594 20 0 EHADRM CC(C)c1sc(NC(=O)C(C)(C)Nc2ccccc2)nc1C(=O)[O-] ZINC001592108141 976891118 /nfs/dbraw/zinc/89/11/18/976891118.db2.gz LJYQZZFPFRPLAY-UHFFFAOYSA-N -1 0 347.440 3.794 20 0 EHADRM CC(C)n1cc(NCc2ccc(C(=O)[O-])cc2Br)cn1 ZINC001592131599 976968027 /nfs/dbraw/zinc/96/80/27/976968027.db2.gz MTZRUAQNZHJHFG-UHFFFAOYSA-N -1 0 338.205 3.537 20 0 EHADRM C[C@H](/C=C\C(=O)[O-])NC(=O)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001592202165 977215675 /nfs/dbraw/zinc/21/56/75/977215675.db2.gz BVFQNWSBDJDTAS-LPVIATNSSA-N -1 0 339.391 3.586 20 0 EHADRM C[C@@H](/C=C/C(=O)[O-])NC(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC001592202732 977221589 /nfs/dbraw/zinc/22/15/89/977221589.db2.gz DNFIFJUMLVTWQW-PPGNKHEKSA-N -1 0 329.440 3.795 20 0 EHADRM C[C@H](CC(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21)c1ccco1 ZINC001592239558 977449395 /nfs/dbraw/zinc/44/93/95/977449395.db2.gz BBAQMDYCWLXSQY-YJYMSZOUSA-N -1 0 337.375 3.869 20 0 EHADRM C[C@@H](CC(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1)c1ccccc1F ZINC001592245677 977471939 /nfs/dbraw/zinc/47/19/39/977471939.db2.gz JWQALPUPZAYEGH-ORAYPTAESA-N -1 0 335.419 3.859 20 0 EHADRM C[C@@H](CC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1)c1cccnc1 ZINC001592262045 977506087 /nfs/dbraw/zinc/50/60/87/977506087.db2.gz MFHXYTGEZRJCDM-VIFPVBQESA-N -1 0 336.750 3.705 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)Nc1csnc1-c1ccccc1)C1CC1 ZINC001592297122 977633630 /nfs/dbraw/zinc/63/36/30/977633630.db2.gz FNPMFWHTDMQZMQ-KRWDZBQOSA-N -1 0 345.424 3.575 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N1CCCCC[C@@H]1Cc1ccccc1Cl ZINC001592341818 977792203 /nfs/dbraw/zinc/79/22/03/977792203.db2.gz FMHMFUOJBGPZFW-DZGCQCFKSA-N -1 0 337.847 3.765 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)Nc1ccccc1Nc1c(F)cccc1F ZINC001592361765 977850192 /nfs/dbraw/zinc/85/01/92/977850192.db2.gz AYIAOYRHWUICRX-JTQLQIEISA-N -1 0 334.322 3.758 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)Nc1nc(C(C)(C)c2ccccc2)cs1 ZINC001592367498 977872603 /nfs/dbraw/zinc/87/26/03/977872603.db2.gz OZYSSVBBBDVFMT-LLVKDONJSA-N -1 0 332.425 3.518 20 0 EHADRM CCc1ccc(S(=O)(=O)C=C([O-])c2ccc(Cl)s2)cc1 ZINC000579765912 1014435520 /nfs/dbraw/zinc/43/55/20/1014435520.db2.gz OJIGBVJDGQKMCX-UHFFFAOYSA-N -1 0 328.842 3.621 20 0 EHADRM C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)C3(C(=O)[O-])CCC3)c2)C1 ZINC000654821184 1014447398 /nfs/dbraw/zinc/44/73/98/1014447398.db2.gz QWAWNUDBEDQGNC-WMLDXEAASA-N -1 0 345.439 3.975 20 0 EHADRM C[C@H](CC(=O)[O-])c1nc([C@@H](C)c2ccc(Br)cc2)no1 ZINC001592424470 978045952 /nfs/dbraw/zinc/04/59/52/978045952.db2.gz SOYGBJMCFYDFOZ-BDAKNGLRSA-N -1 0 339.189 3.562 20 0 EHADRM C[C@H](CC(=O)[O-])c1nc([C@H](F)c2ccc(C(F)(F)F)cc2)no1 ZINC001592425028 978048573 /nfs/dbraw/zinc/04/85/73/978048573.db2.gz ZVSCJADVJLVJQK-RDDDGLTNSA-N -1 0 332.253 3.726 20 0 EHADRM C[C@@H](CC(C)(C)C)NC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001592444900 978106687 /nfs/dbraw/zinc/10/66/87/978106687.db2.gz SSXKULWBERAKFN-VIFPVBQESA-N -1 0 342.233 3.702 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N1[C@@H](C)CC(C(=O)[O-])C[C@@H]1C ZINC001592491786 978284514 /nfs/dbraw/zinc/28/45/14/978284514.db2.gz MTBMFBSADBNKCD-PMPSAXMXSA-N -1 0 331.456 3.746 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000736511762 978340061 /nfs/dbraw/zinc/34/00/61/978340061.db2.gz CRJGUKTTWNSNNB-WMLDXEAASA-N -1 0 332.444 3.562 20 0 EHADRM C[C@H](CCNC(=O)N1CCc2c(cccc2C(=O)[O-])C1)CC(C)(C)C ZINC001592513184 978344801 /nfs/dbraw/zinc/34/48/01/978344801.db2.gz OEGUPGRTZBDQHX-CQSZACIVSA-N -1 0 346.471 3.915 20 0 EHADRM CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000736904888 978365591 /nfs/dbraw/zinc/36/55/91/978365591.db2.gz DQYLIXZXHPIRDU-OAHLLOKOSA-N -1 0 341.411 3.944 20 0 EHADRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccc(F)cc1C ZINC000547631484 1014482805 /nfs/dbraw/zinc/48/28/05/1014482805.db2.gz OGMJVPSKSWTZRC-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM CC[C@@H](NC(=S)N1Cc2ccc(C(=O)[O-])cc2C1)c1cccs1 ZINC000736920416 978366603 /nfs/dbraw/zinc/36/66/03/978366603.db2.gz SIMKVCLVGGDEBW-CQSZACIVSA-N -1 0 346.477 3.788 20 0 EHADRM CCOC(=O)Nc1ccc(N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000737145883 978382939 /nfs/dbraw/zinc/38/29/39/978382939.db2.gz GRZJOWGOYBYSQW-HNNXBMFYSA-N -1 0 332.331 3.632 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1 ZINC001592545727 978429625 /nfs/dbraw/zinc/42/96/25/978429625.db2.gz BQGJYTIEBNVXHE-NJSLBKSFSA-N -1 0 335.419 3.544 20 0 EHADRM Cc1cc(C)c(C)c(OCCC(=O)O[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000738355642 978523104 /nfs/dbraw/zinc/52/31/04/978523104.db2.gz KTXDVWGSHOMGIE-IBGZPJMESA-N -1 0 342.391 3.750 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)C[C@H]1CCC(F)(F)C1)C(=O)[O-] ZINC001592601879 978537773 /nfs/dbraw/zinc/53/77/73/978537773.db2.gz GPMDEWPJKICGHX-DZGCQCFKSA-N -1 0 339.382 3.561 20 0 EHADRM O=C([O-])NCCCC(=O)N(Cc1ccccc1F)c1ccc(F)cc1 ZINC000739954374 978659831 /nfs/dbraw/zinc/65/98/31/978659831.db2.gz PGXZJHWWDQZVBK-UHFFFAOYSA-N -1 0 348.349 3.546 20 0 EHADRM CCCC[C@H](NC(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000753907482 978694802 /nfs/dbraw/zinc/69/48/02/978694802.db2.gz VKEHPIVDLNLGQT-VNDWYCCKSA-N -1 0 343.345 3.868 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCCc1ccc2ccccc2c1)C1CC1 ZINC000761642766 978713026 /nfs/dbraw/zinc/71/30/26/978713026.db2.gz NWABMXQGCALLQZ-GOSISDBHSA-N -1 0 325.408 3.532 20 0 EHADRM CC[C@H](C)n1ncc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1C1CC1 ZINC000761748076 978715302 /nfs/dbraw/zinc/71/53/02/978715302.db2.gz JWUCQXWDUPBAIU-JTQLQIEISA-N -1 0 345.374 3.821 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccnc2SC(F)(F)F)cc1 ZINC000766738588 978724839 /nfs/dbraw/zinc/72/48/39/978724839.db2.gz LIGWOIPEIPXULR-UHFFFAOYSA-N -1 0 342.298 3.644 20 0 EHADRM COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000766860301 978727570 /nfs/dbraw/zinc/72/75/70/978727570.db2.gz KFZMXPBJMZQQBR-UONOGXRCSA-N -1 0 345.782 3.789 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)/C=C/c1ccccc1F)C(=O)[O-] ZINC000766899025 978728894 /nfs/dbraw/zinc/72/88/94/978728894.db2.gz OLFICTFPAZZKPW-RUMSDORHSA-N -1 0 341.382 3.588 20 0 EHADRM CC[C@H](NC(=O)CCc1ccccc1C(=O)[O-])c1ccccc1OC ZINC000777358692 978775708 /nfs/dbraw/zinc/77/57/08/978775708.db2.gz NXKSDUNFLPPUGR-KRWDZBQOSA-N -1 0 341.407 3.594 20 0 EHADRM O=C([O-])c1ccc(/C=C2\C(=O)Nc3c2cccc3Br)cc1 ZINC000783711703 978793241 /nfs/dbraw/zinc/79/32/41/978793241.db2.gz COIXDBMAGKATRC-WQLSENKSSA-N -1 0 344.164 3.640 20 0 EHADRM CCOc1ccc(OC)cc1NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811817117 978860706 /nfs/dbraw/zinc/86/07/06/978860706.db2.gz OHANWBQFVBTDFJ-UHFFFAOYSA-N -1 0 349.770 3.698 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NCc2cccc3nsnc32)cc1 ZINC000826127384 978945046 /nfs/dbraw/zinc/94/50/46/978945046.db2.gz RWYQQQGVUCMFMC-UHFFFAOYSA-N -1 0 327.409 3.666 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1)C(=O)[O-] ZINC000827493339 978960285 /nfs/dbraw/zinc/96/02/85/978960285.db2.gz QJPQAEHDCRZFKO-NSHDSACASA-N -1 0 348.786 3.975 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)CCCc1cccc(C(F)(F)F)c1 ZINC000828095533 978969149 /nfs/dbraw/zinc/96/91/49/978969149.db2.gz RHISOQVOZNLRFQ-MRXNPFEDSA-N -1 0 345.361 3.788 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2CC[C@@H](c3ccc(C)cc3C)C2)s1 ZINC000471117103 1014541691 /nfs/dbraw/zinc/54/16/91/1014541691.db2.gz SANOLRRQDCVLCX-CQSZACIVSA-N -1 0 344.484 3.551 20 0 EHADRM COc1ccc(C(=O)[O-])c(NCc2ncc(-c3cccc(F)c3)o2)c1 ZINC000832182183 979041060 /nfs/dbraw/zinc/04/10/60/979041060.db2.gz CVQAHWYJGPZBEV-UHFFFAOYSA-N -1 0 342.326 3.800 20 0 EHADRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)CC(C)(C)C ZINC000832848244 979050162 /nfs/dbraw/zinc/05/01/62/979050162.db2.gz WKELFSXIGUITJB-UHFFFAOYSA-N -1 0 328.206 3.830 20 0 EHADRM C[C@@H](CNC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1)C(C)(C)C ZINC001592672768 979077497 /nfs/dbraw/zinc/07/74/97/979077497.db2.gz KLGNJWOLWWSDAG-LBPRGKRZSA-N -1 0 346.427 3.655 20 0 EHADRM CC[C@@H](C)n1nc(C(=O)NC[C@H](C(=O)[O-])C2CCCCCC2)cc1C ZINC001595023513 979115708 /nfs/dbraw/zinc/11/57/08/979115708.db2.gz UCFVLHWENXJCHV-CJNGLKHVSA-N -1 0 349.475 3.564 20 0 EHADRM CC[C@H](C)n1nccc1C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001595028313 979150960 /nfs/dbraw/zinc/15/09/60/979150960.db2.gz LWBNLYYUMDJVJA-LBPRGKRZSA-N -1 0 337.379 3.958 20 0 EHADRM CC[C@H](CC(F)(F)F)C(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC001595038972 979211927 /nfs/dbraw/zinc/21/19/27/979211927.db2.gz LRKROJAPKYSNIP-SECBINFHSA-N -1 0 336.331 3.747 20 0 EHADRM CC[C@H](CC(F)F)C(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001595042553 979236325 /nfs/dbraw/zinc/23/63/25/979236325.db2.gz OQWDRSBXVWCNNW-BDJLRTHQSA-N -1 0 347.789 3.523 20 0 EHADRM CC[C@@H](CC(F)(F)F)c1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC001595042755 979238996 /nfs/dbraw/zinc/23/89/96/979238996.db2.gz TXTFBUAOSCWXDL-VIFPVBQESA-N -1 0 344.289 3.793 20 0 EHADRM O=C([O-])c1ccc([C@H](NC(=O)C=C2CCCCC2)C(F)(F)F)cc1 ZINC000836754258 979260261 /nfs/dbraw/zinc/26/02/61/979260261.db2.gz FNQWVERJEMCTLR-HNNXBMFYSA-N -1 0 341.329 3.995 20 0 EHADRM CCC(CC)(CC(=O)[O-])C(=O)O[C@@H](C)c1nccn1-c1ccccc1 ZINC001595048086 979264011 /nfs/dbraw/zinc/26/40/11/979264011.db2.gz UMLZOAFZCBULDZ-AWEZNQCLSA-N -1 0 344.411 3.758 20 0 EHADRM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)/C=C/C2CCCCC2)c1 ZINC000836758203 979269131 /nfs/dbraw/zinc/26/91/31/979269131.db2.gz INYXICNFOFGKOB-YVNCXZRQSA-N -1 0 345.439 3.638 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NCc1ccc2c(c1)CCC(=O)N2C ZINC000841801639 979312894 /nfs/dbraw/zinc/31/28/94/979312894.db2.gz UJTRDMGMCPSKFN-UHFFFAOYSA-N -1 0 338.407 3.523 20 0 EHADRM CCC(CC)(CNC(=O)[C@@H](CCc1ccccc1)C(C)C)C(=O)[O-] ZINC001595064716 979328484 /nfs/dbraw/zinc/32/84/84/979328484.db2.gz KMBRNGFPHRNMQN-KRWDZBQOSA-N -1 0 333.472 3.899 20 0 EHADRM O=C([O-])CCCC(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000843339049 979342281 /nfs/dbraw/zinc/34/22/81/979342281.db2.gz BRCBVBGOCFBLBQ-YGXOJQJDSA-N -1 0 349.430 3.655 20 0 EHADRM CCC(CC)(NC(=O)c1sc(-c2ccc(C)cc2)nc1C)C(=O)[O-] ZINC001595098061 979400076 /nfs/dbraw/zinc/40/00/76/979400076.db2.gz XAYDMUGIZBAVNP-UHFFFAOYSA-N -1 0 346.452 3.800 20 0 EHADRM CCC(CC)[C@@H](NC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001595105997 979427889 /nfs/dbraw/zinc/42/78/89/979427889.db2.gz FNAFPIYKTHMRAT-IXDOHACOSA-N -1 0 332.444 3.669 20 0 EHADRM CCc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)sc1-c1ccccc1 ZINC000848878907 979484303 /nfs/dbraw/zinc/48/43/03/979484303.db2.gz MYMLFVOEHMOGQQ-DOMZBBRYSA-N -1 0 343.448 3.913 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)N(CCC(=O)[O-])CC(C)C)cc1 ZINC001595121354 979489701 /nfs/dbraw/zinc/48/97/01/979489701.db2.gz JRJDXQOHAXJZLR-UHFFFAOYSA-N -1 0 335.444 3.827 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)o1 ZINC000851596494 979511254 /nfs/dbraw/zinc/51/12/54/979511254.db2.gz SGTBRSUVECMIMR-SXAWMYDMSA-N -1 0 343.354 3.788 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001595126524 979518363 /nfs/dbraw/zinc/51/83/63/979518363.db2.gz WHDMZDQHOJPNRF-GFCCVEGCSA-N -1 0 329.400 3.806 20 0 EHADRM CC[C@@H](CC1CCCCC1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001595126529 979518852 /nfs/dbraw/zinc/51/88/52/979518852.db2.gz WJHBHEYKEJPBLB-FUHWJXTLSA-N -1 0 349.446 3.934 20 0 EHADRM O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)C2CC3(C2)CCCCC3)C1 ZINC000851609577 979537406 /nfs/dbraw/zinc/53/74/06/979537406.db2.gz WVBSUKCTSLEPRX-OAQYLSRUSA-N -1 0 341.451 3.602 20 0 EHADRM C[C@@H](CSc1nc(-c2ccccn2)nc2sccc21)C(=O)[O-] ZINC001592831868 979560590 /nfs/dbraw/zinc/56/05/90/979560590.db2.gz HNNVHLAVGMFECP-VIFPVBQESA-N -1 0 331.422 3.566 20 0 EHADRM C[C@@H](CSc1ccccc1)N(C)C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001592832977 979566766 /nfs/dbraw/zinc/56/67/66/979566766.db2.gz YRRGMQVGWDYORE-YXVBKTCISA-N -1 0 345.420 3.630 20 0 EHADRM CC[C@@](CNC(=O)[C@H](C)c1ccccc1C)(C(=O)[O-])c1ccccc1 ZINC001595135459 979575919 /nfs/dbraw/zinc/57/59/19/979575919.db2.gz SUCKUFCWMBNWBF-IERDGZPVSA-N -1 0 339.435 3.647 20 0 EHADRM CC[C@](CNC(=O)C12CCC(CC1)C2(C)C)(C(=O)[O-])c1ccccc1 ZINC001595138699 979583572 /nfs/dbraw/zinc/58/35/72/979583572.db2.gz MOWVYIJHKBONEB-VZDHWGDASA-N -1 0 343.467 3.752 20 0 EHADRM C[C@](Cc1ccc(Cl)cc1)(NC(=O)C1CCC2(CC2)CC1)C(=O)[O-] ZINC001592838250 979585839 /nfs/dbraw/zinc/58/58/39/979585839.db2.gz KZVSCFTXCPNZOT-GOSISDBHSA-N -1 0 349.858 3.812 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CC[C@H]2CC2(Cl)Cl)c2ccccc21 ZINC000852945516 979587182 /nfs/dbraw/zinc/58/71/82/979587182.db2.gz QIHGXPHOMMQJJF-CMPLNLGQSA-N -1 0 342.222 3.566 20 0 EHADRM C[C@@](Cc1ccc(Cl)cc1)(NC(=O)[C@H]1CCC=CCCC1)C(=O)[O-] ZINC001592839517 979597946 /nfs/dbraw/zinc/59/79/46/979597946.db2.gz WJVNIQJMKQSUSO-KXBFYZLASA-N -1 0 349.858 3.979 20 0 EHADRM CCCN(C)c1ccc(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cc1 ZINC000856722855 979610577 /nfs/dbraw/zinc/61/05/77/979610577.db2.gz RRNZKQWFANGUEK-CQSZACIVSA-N -1 0 340.423 3.973 20 0 EHADRM CC(C)[C@@H]1N(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)CC1(C)C ZINC001592860336 979689559 /nfs/dbraw/zinc/68/95/59/979689559.db2.gz HQSOIXCDUVQFHT-CJNGLKHVSA-N -1 0 332.444 3.848 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N2CC[C@H](C)C3(CCC3)C2)cc1)C(=O)[O-] ZINC001592860272 979689618 /nfs/dbraw/zinc/68/96/18/979689618.db2.gz GWWXMBFHWOOEGO-CABCVRRESA-N -1 0 344.455 3.994 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N2CC(C3CCCCC3)C2)cc1)C(=O)[O-] ZINC001592860710 979693238 /nfs/dbraw/zinc/69/32/38/979693238.db2.gz LQPIDNQNBGSLLB-AWEZNQCLSA-N -1 0 344.455 3.994 20 0 EHADRM Cc1ccc(CN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)C(C)C)s1 ZINC000864106231 979694254 /nfs/dbraw/zinc/69/42/54/979694254.db2.gz IPMFLLOTWGTODJ-RMKNXTFCSA-N -1 0 333.409 3.798 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)/C=C\c2cc(C(=O)[O-])co2)o1 ZINC000864112510 979703301 /nfs/dbraw/zinc/70/33/01/979703301.db2.gz ITTXXVBLWMKVMH-AFKMGRNLSA-N -1 0 343.379 3.892 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)NCC2(C)CC(F)(F)C2)cc1)C(=O)[O-] ZINC001592865625 979707979 /nfs/dbraw/zinc/70/79/79/979707979.db2.gz FBWIYUKLJTXNSO-NSHDSACASA-N -1 0 340.370 3.507 20 0 EHADRM Cc1ccc(C(=O)N[C@H](C2CCCC2)C(F)(F)F)cc1C(=O)[O-] ZINC000864138523 979741993 /nfs/dbraw/zinc/74/19/93/979741993.db2.gz LMURUCHZVOAUHO-CYBMUJFWSA-N -1 0 329.318 3.544 20 0 EHADRM C[C@H](Cc1ccc(NCCc2ccc3c(c2)CCO3)cc1)C(=O)[O-] ZINC001592877668 979745609 /nfs/dbraw/zinc/74/56/09/979745609.db2.gz ONTUSXAXQNCKNZ-CQSZACIVSA-N -1 0 325.408 3.539 20 0 EHADRM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000864148023 979753938 /nfs/dbraw/zinc/75/39/38/979753938.db2.gz TWUUUILXXYGQET-NCVQRMGESA-N -1 0 337.419 3.764 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001592885047 979768398 /nfs/dbraw/zinc/76/83/98/979768398.db2.gz IRQOFVKJZACKBK-LLVKDONJSA-N -1 0 340.354 3.823 20 0 EHADRM CC[C@@H](CNc1ncnc2sc(-c3ccccc3)cc21)C(=O)[O-] ZINC001595176700 979769529 /nfs/dbraw/zinc/76/95/29/979769529.db2.gz XPZOYUQJLOEXCY-NSHDSACASA-N -1 0 327.409 3.881 20 0 EHADRM O=C([O-])[C@@H]1CCCCCN1C(=O)/C=C/c1ccsc1C(F)(F)F ZINC000864158389 979771231 /nfs/dbraw/zinc/77/12/31/979771231.db2.gz KAXGXTNEGFSCOE-QRGHLMKCSA-N -1 0 347.358 3.636 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001592889865 979774530 /nfs/dbraw/zinc/77/45/30/979774530.db2.gz BSZDOYZDSMFYTD-SNVBAGLBSA-N -1 0 335.762 3.995 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)c2ccc(/C=C\C(=O)[O-])o2)c2ccccc21 ZINC000864177948 979823549 /nfs/dbraw/zinc/82/35/49/979823549.db2.gz UBPXQKUKIDGLOR-WWRUEGTHSA-N -1 0 325.364 3.777 20 0 EHADRM C[C@H]1CCn2ncc(C(=O)Nc3cc4ccccc4c(C(=O)[O-])c3)c2C1 ZINC000864224685 979910014 /nfs/dbraw/zinc/91/00/14/979910014.db2.gz GFICENYUXIJJRJ-LBPRGKRZSA-N -1 0 349.390 3.569 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)N[C@H](CC(=O)[O-])c1cccc(C)c1 ZINC000864229052 979922171 /nfs/dbraw/zinc/92/21/71/979922171.db2.gz IGOLQTQLKAVCEH-MSOLQXFVSA-N -1 0 347.455 3.755 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2C[C@H]2c2ccccc2C)c1 ZINC000864230871 979928746 /nfs/dbraw/zinc/92/87/46/979928746.db2.gz CCIWMNPIMILIJW-IPMKNSEASA-N -1 0 337.419 3.739 20 0 EHADRM CCC[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1)c1ccccn1 ZINC000864230810 979928759 /nfs/dbraw/zinc/92/87/59/979928759.db2.gz AWILTIDNLJAWHT-AEFFLSMTSA-N -1 0 340.423 3.606 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC001595210769 979985646 /nfs/dbraw/zinc/98/56/46/979985646.db2.gz KGXBYOYZIBUGKN-WMZOPIPTSA-N -1 0 331.456 3.653 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC001595211150 979988888 /nfs/dbraw/zinc/98/88/88/979988888.db2.gz QHEKNHWRHOAZGE-LBPRGKRZSA-N -1 0 344.436 3.926 20 0 EHADRM CC(C)(C(=O)Nc1cccc(SCCC(=O)[O-])c1)C(C)(F)F ZINC001592934681 979993297 /nfs/dbraw/zinc/99/32/97/979993297.db2.gz PSSRCCPZPDWXTB-UHFFFAOYSA-N -1 0 331.384 3.873 20 0 EHADRM CC(F)(F)c1c(F)cccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001592943403 980014134 /nfs/dbraw/zinc/01/41/34/980014134.db2.gz JIKJKNPNKDIDLW-VHSXEESVSA-N -1 0 329.318 3.767 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000872721865 980103220 /nfs/dbraw/zinc/10/32/20/980103220.db2.gz MOKMOSKWZUAICO-INIZCTEOSA-N -1 0 339.391 3.693 20 0 EHADRM CC[C@](NC(=O)C1=CC[C@@H](C)CC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595237126 980141853 /nfs/dbraw/zinc/14/18/53/980141853.db2.gz YICFTJCJOGMRAX-KZULUSFZSA-N -1 0 335.831 3.893 20 0 EHADRM CC[C@@H](NC(=O)/C=C/c1cc(C(=O)[O-])co1)C(C)(C)c1ccccc1 ZINC001595237492 980146093 /nfs/dbraw/zinc/14/60/93/980146093.db2.gz JMSWYCSFXPFQMT-SXSDINLZSA-N -1 0 341.407 3.864 20 0 EHADRM C[C@H](NC(=O)C(C)(C)C1CCCC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001592990050 980176948 /nfs/dbraw/zinc/17/69/48/980176948.db2.gz MXKQBFLKLFIHCD-YOEHRIQHSA-N -1 0 331.456 3.651 20 0 EHADRM C[C@@H](C(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1)[C@H](C)C(C)(C)C ZINC001592990811 980182735 /nfs/dbraw/zinc/18/27/35/980182735.db2.gz SLLBMOPJLSFTAD-RDBSUJKOSA-N -1 0 335.444 3.646 20 0 EHADRM CC[C@H](NC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1)c1ccc(C)cc1 ZINC001595251265 980211092 /nfs/dbraw/zinc/21/10/92/980211092.db2.gz YJVGIOOXAKKEGZ-YPMHNXCESA-N -1 0 347.440 3.661 20 0 EHADRM CC[C@H](NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])c1cc(C)ccc1C ZINC001595251484 980212444 /nfs/dbraw/zinc/21/24/44/980212444.db2.gz BLLGTJZZXZHYMT-BHYGNILZSA-N -1 0 332.444 3.697 20 0 EHADRM CC[C@H](NC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)c1ccncc1 ZINC001595252155 980216006 /nfs/dbraw/zinc/21/60/06/980216006.db2.gz GLSVQBUAKIXEGA-HNNXBMFYSA-N -1 0 338.367 3.534 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCCCC1(C)C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593007123 980223827 /nfs/dbraw/zinc/22/38/27/980223827.db2.gz KRIMLZDYPLHELM-BHYGNILZSA-N -1 0 331.456 3.651 20 0 EHADRM CC[C@@H](NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])c1ccc(Cl)s1 ZINC001595253371 980230012 /nfs/dbraw/zinc/23/00/12/980230012.db2.gz XZRXUIYNUKKSMH-HBNTYKKESA-N -1 0 344.864 3.795 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1)c1ccncc1 ZINC001595256572 980237647 /nfs/dbraw/zinc/23/76/47/980237647.db2.gz CNALIFSDHMRDRH-CXAGYDPISA-N -1 0 341.411 3.618 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccc(C)cc1 ZINC001595256608 980237861 /nfs/dbraw/zinc/23/78/61/980237861.db2.gz DODLDGLDTSHJGH-QGZVFWFLSA-N -1 0 326.396 3.895 20 0 EHADRM O=C([O-])c1cc2n(n1)CCC[C@H]2NCc1cc(Cl)ccc1Cl ZINC000900072009 980244517 /nfs/dbraw/zinc/24/45/17/980244517.db2.gz WBHCZZPFTSYESG-GFCCVEGCSA-N -1 0 340.210 3.513 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)c1ccncc1 ZINC001595257682 980248632 /nfs/dbraw/zinc/24/86/32/980248632.db2.gz TUUFNXDPNRBOIL-BBWFWOEESA-N -1 0 339.395 3.543 20 0 EHADRM C[C@@](NC(=O)CCCc1ccccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001593018984 980265902 /nfs/dbraw/zinc/26/59/02/980265902.db2.gz FDHWXLFACQZCLH-IBGZPJMESA-N -1 0 345.826 3.779 20 0 EHADRM O=C([O-])/C=C\c1ccc(CN[C@@H]2CCCOc3c(F)cccc32)o1 ZINC000901440180 980289021 /nfs/dbraw/zinc/28/90/21/980289021.db2.gz ZXHZCIFDODSECQ-HLRDLLSLSA-N -1 0 331.343 3.520 20 0 EHADRM CC[C@@](NC(=O)c1scc(C)c1Cl)(C(=O)[O-])c1ccccc1 ZINC001595277241 980305354 /nfs/dbraw/zinc/30/53/54/980305354.db2.gz SCRRKXFFFJAENV-INIZCTEOSA-N -1 0 337.828 3.830 20 0 EHADRM CC[C@](NCc1noc2c1CC(C)(C)CC2)(C(=O)[O-])c1ccccc1 ZINC001595306230 980457221 /nfs/dbraw/zinc/45/72/21/980457221.db2.gz XCUZQFGXTGKFBV-HXUWFJFHSA-N -1 0 342.439 3.669 20 0 EHADRM CC[C@@H]1C[C@H](Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)CCO1 ZINC000901773021 980502969 /nfs/dbraw/zinc/50/29/69/980502969.db2.gz BAHKZSDDQFXRMW-HZPDHXFCSA-N -1 0 332.444 3.745 20 0 EHADRM O=C([O-])[C@@]1(C(F)(F)F)CCN(Cc2ccsc2C(F)(F)F)C1 ZINC000901787867 980518539 /nfs/dbraw/zinc/51/85/39/980518539.db2.gz CSJLWVGVZJBYJL-SNVBAGLBSA-N -1 0 347.280 3.606 20 0 EHADRM O=C([O-])[C@@]1(C(F)(F)F)CCN(Cc2cscc2C(F)(F)F)C1 ZINC000901790496 980521476 /nfs/dbraw/zinc/52/14/76/980521476.db2.gz YDPNAGPGIPUOSR-SNVBAGLBSA-N -1 0 347.280 3.606 20 0 EHADRM CCc1cnc(CN[C@](CC)(C(=O)[O-])c2ccc(Cl)cc2)s1 ZINC000901874528 980589426 /nfs/dbraw/zinc/58/94/26/980589426.db2.gz YWZMJRDFKAZTIS-INIZCTEOSA-N -1 0 338.860 3.839 20 0 EHADRM CC[C@H](OC(=O)/C=C/c1cc(C(=O)[O-])co1)c1cccc(OC)c1 ZINC001595336432 980594203 /nfs/dbraw/zinc/59/42/03/980594203.db2.gz IMAULKAWGHOBMC-WAVCKPEOSA-N -1 0 330.336 3.694 20 0 EHADRM CC(C)(CC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)CC(F)(F)F ZINC000902014665 980692010 /nfs/dbraw/zinc/69/20/10/980692010.db2.gz XIDUUCAJFSHJMU-INIZCTEOSA-N -1 0 345.361 3.514 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC001595355184 980699776 /nfs/dbraw/zinc/69/97/76/980699776.db2.gz QZCMJMYHIIVMHX-JYJNAYRXSA-N -1 0 339.476 3.606 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1c(C)ccc(C(=O)[O-])c1O ZINC001595357075 980718743 /nfs/dbraw/zinc/71/87/43/980718743.db2.gz UZNNKVVWAGKNGD-HNNXBMFYSA-N -1 0 343.379 3.503 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)OCc1cc(C(=O)[O-])ccc1C ZINC001595357119 980719223 /nfs/dbraw/zinc/71/92/23/980719223.db2.gz QSKRZYULRNSOQI-GOSISDBHSA-N -1 0 342.391 3.902 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N[C@H](CC(C)(C)C)C(=O)[O-] ZINC001595357437 980722068 /nfs/dbraw/zinc/72/20/68/980722068.db2.gz ZMXXUJHWDNYCCZ-HZPDHXFCSA-N -1 0 349.471 3.973 20 0 EHADRM C[C@H]1[C@H](Nc2ccc(NC(=O)c3ccco3)cc2)CC[C@H]1CC(=O)[O-] ZINC000902091381 980728661 /nfs/dbraw/zinc/72/86/61/980728661.db2.gz GZWXMLVZBIYGJL-DVOMOZLQSA-N -1 0 342.395 3.833 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1ccsc1 ZINC001595358776 980735154 /nfs/dbraw/zinc/73/51/54/980735154.db2.gz JCAROICLTOKXHN-UONOGXRCSA-N -1 0 336.434 3.988 20 0 EHADRM CN(C)C(=O)Cc1ccc(N[C@@H]2CCC[C@H](CCCC(=O)[O-])C2)cc1 ZINC000902113003 980740261 /nfs/dbraw/zinc/74/02/61/980740261.db2.gz SAHMQJMHJQWSLJ-CRAIPNDOSA-N -1 0 346.471 3.543 20 0 EHADRM CC[C@H](c1ccccc1OC)N(C)C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001595363848 980787603 /nfs/dbraw/zinc/78/76/03/980787603.db2.gz KGOXXPSYSPZCFA-MRXNPFEDSA-N -1 0 345.370 3.756 20 0 EHADRM O=C([O-])/C=C/c1ccc(CNCc2ccccc2OC2CCC2)o1 ZINC000902288781 980818688 /nfs/dbraw/zinc/81/86/88/980818688.db2.gz YWXXRUQTFYHFQZ-ZHACJKMWSA-N -1 0 327.380 3.599 20 0 EHADRM COc1ccc(CNCc2ccoc2C(=O)[O-])c(OC2CCCC2)c1 ZINC000902309307 980827165 /nfs/dbraw/zinc/82/71/65/980827165.db2.gz WYFFQDGRMPLLHZ-UHFFFAOYSA-N -1 0 345.395 3.598 20 0 EHADRM CCC1(C(=O)Oc2cc(Br)cc(C(=O)[O-])c2)CCC1 ZINC001595368861 980832129 /nfs/dbraw/zinc/83/21/29/980832129.db2.gz MOAHYMAZHYBECI-UHFFFAOYSA-N -1 0 327.174 3.633 20 0 EHADRM COc1cc(C)c(NCc2ccc(O[C@H](C)C(=O)[O-])cc2)cc1F ZINC000902423047 980879803 /nfs/dbraw/zinc/87/98/03/980879803.db2.gz OFPATJFQYISOBL-GFCCVEGCSA-N -1 0 333.359 3.607 20 0 EHADRM Cc1ccccc1[C@@]1(F)CCN(Cc2ccc(/C=C/C(=O)[O-])o2)C1 ZINC000902453559 980895073 /nfs/dbraw/zinc/89/50/73/980895073.db2.gz RYTLEPGFKMQFKK-CSHXORCISA-N -1 0 329.371 3.757 20 0 EHADRM CC[C@@]1(CCc2ccccc2)CCCN1C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001595376672 980907633 /nfs/dbraw/zinc/90/76/33/980907633.db2.gz HUFKMNCGSHZNES-QKLQHJQFSA-N -1 0 329.440 3.501 20 0 EHADRM CCC1(CNC(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)CCC1 ZINC001595378513 980914484 /nfs/dbraw/zinc/91/44/84/980914484.db2.gz DFJJBYZCZHHHBK-UHFFFAOYSA-N -1 0 328.771 3.879 20 0 EHADRM CCc1oc(CN2C[C@@H](c3ccccc3)OC[C@H]2C)cc1C(=O)[O-] ZINC000902519179 980917584 /nfs/dbraw/zinc/91/75/84/980917584.db2.gz NJIUBLKFWMCRQG-ACJLOTCBSA-N -1 0 329.396 3.502 20 0 EHADRM CC[C@@H]1[C@H](C)CCN1C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001595406040 980989816 /nfs/dbraw/zinc/98/98/16/980989816.db2.gz XCEVRUYEHYDIGX-IUODEOHRSA-N -1 0 334.416 3.824 20 0 EHADRM CC[C@H]1C[C@@H](CC(=O)N2CCCc3ccc(C)c(C(=O)[O-])c32)CCO1 ZINC001595409325 981007179 /nfs/dbraw/zinc/00/71/79/981007179.db2.gz WDRCEKLBEWGPCT-HOCLYGCPSA-N -1 0 345.439 3.568 20 0 EHADRM CC[C@@H]1C[C@@H](CC(=O)Oc2cc(Cl)ccc2C(=O)[O-])CCO1 ZINC001595412261 981009934 /nfs/dbraw/zinc/00/99/34/981009934.db2.gz BIWYBTFUSSPLCB-CMPLNLGQSA-N -1 0 326.776 3.539 20 0 EHADRM CC[C@H]1CC[C@@H](C)N1C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001595416810 981033954 /nfs/dbraw/zinc/03/39/54/981033954.db2.gz ZIRRCOXWMJGYLC-OCCSQVGLSA-N -1 0 334.416 3.967 20 0 EHADRM CCC1CCC(NC(=O)/C=C(\C)c2ccc(OC)cc2)(C(=O)[O-])CC1 ZINC001595420688 981037408 /nfs/dbraw/zinc/03/74/08/981037408.db2.gz FXZLGBNKVFGXRG-BUHFOSPRSA-N -1 0 345.439 3.638 20 0 EHADRM CCC1CCC(NC(=O)Cc2ccc(C)c(Cl)c2)(C(=O)[O-])CC1 ZINC001595422401 981042106 /nfs/dbraw/zinc/04/21/06/981042106.db2.gz XNLQGZIYXSILFI-UHFFFAOYSA-N -1 0 337.847 3.731 20 0 EHADRM CC[C@@H]1CCC[C@@H]1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001595435021 981062185 /nfs/dbraw/zinc/06/21/85/981062185.db2.gz DZFUDASBJYQEOI-HIFRSBDPSA-N -1 0 330.428 3.750 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001595443892 981084201 /nfs/dbraw/zinc/08/42/01/981084201.db2.gz DUYLTAYATVOAAG-PVAVHDDUSA-N -1 0 332.444 3.779 20 0 EHADRM CC[C@@H]1CCC[C@H]1NC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001595459154 981136465 /nfs/dbraw/zinc/13/64/65/981136465.db2.gz WFYUJAUXLNOICW-MZMPZRCHSA-N -1 0 344.455 3.683 20 0 EHADRM CC[C@H]1CCCc2sc(NC(=O)NCc3ccoc3C(=O)[O-])nc21 ZINC001595459948 981141268 /nfs/dbraw/zinc/14/12/68/981141268.db2.gz PHLSZZCVTJCSGU-VIFPVBQESA-N -1 0 349.412 3.586 20 0 EHADRM Cc1cc(CN[C@@H](C)c2cc(Cl)cc3c2OCC3)oc1C(=O)[O-] ZINC000905769701 981146861 /nfs/dbraw/zinc/14/68/61/981146861.db2.gz IGZBHHKVULQWFY-JTQLQIEISA-N -1 0 335.787 3.725 20 0 EHADRM Cc1cccnc1[C@H](NCc1ccc(/C=C\C(=O)[O-])o1)C(C)(C)C ZINC000905798769 981156781 /nfs/dbraw/zinc/15/67/81/981156781.db2.gz OFROKAQTIXKAHR-LPADLIQXSA-N -1 0 328.412 3.958 20 0 EHADRM CC(C)(C)Cc1ccccc1C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000907551585 981187692 /nfs/dbraw/zinc/18/76/92/981187692.db2.gz ZBGWXQBGYCVTKZ-INIZCTEOSA-N -1 0 329.440 3.602 20 0 EHADRM CC/C=C(\C)C(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC001595505490 981283212 /nfs/dbraw/zinc/28/32/12/981283212.db2.gz DRPRWYOFMGXNCB-YIXHJXPBSA-N -1 0 340.423 3.928 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)c2cccc3cccc(O)c32)CCC1 ZINC000908333839 981301323 /nfs/dbraw/zinc/30/13/23/981301323.db2.gz CCKGCAXIDNGOJR-UHFFFAOYSA-N -1 0 341.407 3.700 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)C2CCc3ccccc3CC2)CCC1 ZINC000908339058 981304657 /nfs/dbraw/zinc/30/46/57/981304657.db2.gz WNAOMFHSSSPYSZ-UHFFFAOYSA-N -1 0 343.467 3.723 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)c2cc3cc(F)ccc3o2)CCC1 ZINC000908343625 981305862 /nfs/dbraw/zinc/30/58/62/981305862.db2.gz ZVFOBJSDPRCPSJ-UHFFFAOYSA-N -1 0 333.359 3.727 20 0 EHADRM Cc1cccc(C2=CCN(C(=O)c3cc(C(=O)[O-])co3)CC2)c1C ZINC000908420809 981317054 /nfs/dbraw/zinc/31/70/54/981317054.db2.gz NUUPWWOSXILJCB-UHFFFAOYSA-N -1 0 325.364 3.524 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000908699437 981341877 /nfs/dbraw/zinc/34/18/77/981341877.db2.gz PWMIQKPOMPAASH-VIFPVBQESA-N -1 0 341.285 3.796 20 0 EHADRM CCN(Cc1ccccc1Cl)C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000908722513 981347695 /nfs/dbraw/zinc/34/76/95/981347695.db2.gz CLAKNYGJKSCHSM-UHFFFAOYSA-N -1 0 335.831 3.724 20 0 EHADRM CCC(CC)[C@H](NC(=O)c1ccoc1CC(=O)[O-])c1cccs1 ZINC000908750056 981353466 /nfs/dbraw/zinc/35/34/66/981353466.db2.gz BJCZABVDDOZHHC-INIZCTEOSA-N -1 0 335.425 3.876 20 0 EHADRM Cc1cccc(C(C)(C)CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC000908760091 981355592 /nfs/dbraw/zinc/35/55/92/981355592.db2.gz KRRJHKUYBZEDEE-UHFFFAOYSA-N -1 0 343.467 3.814 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2C(=O)c2csc(C(=O)[O-])n2)cc1 ZINC000908801095 981365057 /nfs/dbraw/zinc/36/50/57/981365057.db2.gz ZOLXWAGCHHNIDL-AWEZNQCLSA-N -1 0 330.409 3.517 20 0 EHADRM O=C([O-])Cc1occc1C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000908832526 981370518 /nfs/dbraw/zinc/37/05/18/981370518.db2.gz HBKDIEMJDJZALF-UHFFFAOYSA-N -1 0 347.342 3.620 20 0 EHADRM CCC[C@@H](C(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)[O-])C(C)C ZINC001595536067 981380106 /nfs/dbraw/zinc/38/01/06/981380106.db2.gz NUEYCZNKLBAJDP-CVEARBPZSA-N -1 0 331.412 3.617 20 0 EHADRM CCC[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1)C(C)C ZINC001595536123 981380596 /nfs/dbraw/zinc/38/05/96/981380596.db2.gz PJXLTFMQCQWFJC-RISCZKNCSA-N -1 0 329.799 3.793 20 0 EHADRM CCC[C@H](C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-])c1ccccc1 ZINC001595536213 981381409 /nfs/dbraw/zinc/38/14/09/981381409.db2.gz RVCSPVJIUIRCRC-MSOLQXFVSA-N -1 0 331.456 3.968 20 0 EHADRM COc1cc(C)ccc1C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000908898234 981384354 /nfs/dbraw/zinc/38/43/54/981384354.db2.gz DMTZXQXMGCGGOP-UHFFFAOYSA-N -1 0 343.379 3.741 20 0 EHADRM CCC[C@@H](C(=O)OCCc1csc(C(=O)[O-])c1)c1ccccn1 ZINC001595537523 981387508 /nfs/dbraw/zinc/38/75/08/981387508.db2.gz LWZXNPGSFBIUIP-CYBMUJFWSA-N -1 0 333.409 3.511 20 0 EHADRM CCC[C@H](C(=O)OCc1cc(C(=O)[O-])sc1C)c1ccccn1 ZINC001595538437 981392078 /nfs/dbraw/zinc/39/20/78/981392078.db2.gz LGTUNNBGFCVJFI-ZDUSSCGKSA-N -1 0 333.409 3.777 20 0 EHADRM Cc1ccc(-c2c[nH]cc2C(=O)NCCCCCCC(=O)[O-])s1 ZINC000909146601 981427696 /nfs/dbraw/zinc/42/76/96/981427696.db2.gz PMEGYAVEZFIQJA-UHFFFAOYSA-N -1 0 334.441 3.817 20 0 EHADRM CCc1[nH]ccc1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000909224569 981436304 /nfs/dbraw/zinc/43/63/04/981436304.db2.gz QHOOQJUPEQSWJW-UHFFFAOYSA-N -1 0 332.425 3.537 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C[C@H]2CCC3(CCC3)CO2)cc1 ZINC000909289366 981461081 /nfs/dbraw/zinc/46/10/81/981461081.db2.gz PZUJOPYSOUGQAP-MRXNPFEDSA-N -1 0 345.439 3.727 20 0 EHADRM CCc1c(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)cnn1C1CCCC1 ZINC000909297347 981464206 /nfs/dbraw/zinc/46/42/06/981464206.db2.gz YRCWIIXFWLQHPY-UHFFFAOYSA-N -1 0 345.374 3.650 20 0 EHADRM CCC/C(C)=C\C(=O)N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001595567329 981467154 /nfs/dbraw/zinc/46/71/54/981467154.db2.gz YLHPZWCUKBLZJE-CFYYFVFUSA-N -1 0 329.318 3.694 20 0 EHADRM CCC[C@H](C)C(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001595573074 981486649 /nfs/dbraw/zinc/48/66/49/981486649.db2.gz QRAJESKWNYYZMD-ZETCQYMHSA-N -1 0 332.169 3.661 20 0 EHADRM Cc1ccsc1CCCC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000909449467 981494984 /nfs/dbraw/zinc/49/49/84/981494984.db2.gz FNRNYOALMKQESU-UHFFFAOYSA-N -1 0 343.448 3.662 20 0 EHADRM CCC[C@@H](CC(C)C)C(=O)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001595578709 981502215 /nfs/dbraw/zinc/50/22/15/981502215.db2.gz HPLHOCBAMBYVQG-QWHCGFSZSA-N -1 0 338.473 3.620 20 0 EHADRM CCC[C@@H](CC(C)C)C(=O)N1c2c(cccc2C(=O)[O-])NC(=O)[C@H]1C ZINC001595580110 981514099 /nfs/dbraw/zinc/51/40/99/981514099.db2.gz ZFGATSZOACVNSO-OLZOCXBDSA-N -1 0 346.427 3.521 20 0 EHADRM CCC[C@@H](CC(C)C)C(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1 ZINC001595585778 981525805 /nfs/dbraw/zinc/52/58/05/981525805.db2.gz CGAIVXRRXLLTCF-LBPRGKRZSA-N -1 0 335.400 3.572 20 0 EHADRM CCC[C@H](CC(C)C)C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-] ZINC001595585956 981527967 /nfs/dbraw/zinc/52/79/67/981527967.db2.gz JWYLMBPXDFXANW-HZPDHXFCSA-N -1 0 337.435 3.648 20 0 EHADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1ccc(C(F)F)cc1 ZINC000909530090 981533128 /nfs/dbraw/zinc/53/31/28/981533128.db2.gz AEUXBSSOJLVGNS-MRXNPFEDSA-N -1 0 347.361 3.830 20 0 EHADRM CCC[C@H](CCc1ccccc1)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001595591876 981548226 /nfs/dbraw/zinc/54/82/26/981548226.db2.gz NZTYAVDVLBWBOU-GOSISDBHSA-N -1 0 325.408 3.916 20 0 EHADRM CCC[C@@H](NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)C1CCCC1 ZINC001595597916 981565994 /nfs/dbraw/zinc/56/59/94/981565994.db2.gz DADYGMWAIJAFPN-QGZVFWFLSA-N -1 0 332.444 3.885 20 0 EHADRM CC[C@H](CN(CC)C(=O)c1ccoc1CC(=O)[O-])c1ccccc1 ZINC000909728551 981582015 /nfs/dbraw/zinc/58/20/15/981582015.db2.gz ACPXTWCTCWXUGJ-CQSZACIVSA-N -1 0 329.396 3.563 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@H]3CC[C@@H](Cc4ccccc4)C3)(CC1)C2 ZINC000909728626 981582045 /nfs/dbraw/zinc/58/20/45/981582045.db2.gz FJWDLYPQHKOKRW-AMZMEHNNSA-N -1 0 341.451 3.549 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)NC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000909730248 981583335 /nfs/dbraw/zinc/58/33/35/981583335.db2.gz AOEOYPMXVJYGHX-QMMMGPOBSA-N -1 0 349.736 3.575 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)C1CCC(C(F)(F)F)CC1 ZINC000909732362 981585574 /nfs/dbraw/zinc/58/55/74/981585574.db2.gz SPDQKEVPRKFDJW-UHFFFAOYSA-N -1 0 345.317 3.701 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC001594743351 981622368 /nfs/dbraw/zinc/62/23/68/981622368.db2.gz ORZQBAUSADFUJY-KGLIPLIRSA-N -1 0 343.345 3.870 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000909801833 981632227 /nfs/dbraw/zinc/63/22/27/981632227.db2.gz YZBWEKHRAJZDKH-SJKOYZFVSA-N -1 0 343.354 3.553 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000909801830 981632404 /nfs/dbraw/zinc/63/24/04/981632404.db2.gz YZBWEKHRAJZDKH-PXAZEXFGSA-N -1 0 343.354 3.553 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@@]2(c3ccccc3)C[C@H](F)C2)cc1 ZINC000909834190 981652461 /nfs/dbraw/zinc/65/24/61/981652461.db2.gz UGSGKXCLZCTRLE-RISOHXOYSA-N -1 0 341.382 3.883 20 0 EHADRM COc1ccc2c(c1)[C@@H](C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1)CC2 ZINC000909835686 981654783 /nfs/dbraw/zinc/65/47/83/981654783.db2.gz IMKSCUAEHCDDBC-SJCJKPOMSA-N -1 0 339.391 3.552 20 0 EHADRM CCC[C@]1(COC)CCCN1C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC001595618389 981665151 /nfs/dbraw/zinc/66/51/51/981665151.db2.gz VFWXIEZGKDCNDD-LJQANCHMSA-N -1 0 348.443 3.815 20 0 EHADRM CCC[C@@H]1C[C@H](C(=O)O[C@@H](C(=O)[O-])c2ccccc2Cl)CCO1 ZINC001595620415 981689207 /nfs/dbraw/zinc/68/92/07/981689207.db2.gz HLVSDMBXSUFREQ-LALPHHSUSA-N -1 0 340.803 3.604 20 0 EHADRM CCC[C@@H]1CCCC[C@H]1NC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001595621094 981696676 /nfs/dbraw/zinc/69/66/76/981696676.db2.gz BTQXSAZPJWVSCJ-IJLUTSLNSA-N -1 0 339.461 3.560 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2coc3cc(F)ccc23)[C@@H]2CCCC[C@@H]12 ZINC000909960968 981714400 /nfs/dbraw/zinc/71/44/00/981714400.db2.gz LTSRASHNCJQXJF-JGGQBBKZSA-N -1 0 345.370 3.677 20 0 EHADRM CC[C@@H](C(=O)OCc1ccc(C(=O)[O-])cc1F)c1ccc(OC)cc1 ZINC001594776254 981765798 /nfs/dbraw/zinc/76/57/98/981765798.db2.gz VODBQJYKTZRCOP-MRXNPFEDSA-N -1 0 346.354 3.770 20 0 EHADRM C[C@@H](NC(=O)CC[C@H]1CCc2ccccc21)c1ncc(C(=O)[O-])s1 ZINC000910156429 981767817 /nfs/dbraw/zinc/76/78/17/981767817.db2.gz LVRJCDCGDQQGCT-DGCLKSJQSA-N -1 0 344.436 3.529 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)CCCOc1cccc(C)c1 ZINC001594782108 981789050 /nfs/dbraw/zinc/78/90/50/981789050.db2.gz NBZNWUGEHHRJKM-HXUWFJFHSA-N -1 0 347.455 3.646 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@@H](C)c1ccc(Cl)cc1 ZINC001594782163 981789907 /nfs/dbraw/zinc/78/99/07/981789907.db2.gz ODVFIHLQXMBZON-SGTLLEGYSA-N -1 0 337.847 3.935 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)C/C=C/c1ccc(F)cc1 ZINC001594782413 981790551 /nfs/dbraw/zinc/79/05/51/981790551.db2.gz OYVQGCBVIHKKEH-VZSQWMKGSA-N -1 0 333.403 3.721 20 0 EHADRM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000910250201 981823822 /nfs/dbraw/zinc/82/38/22/981823822.db2.gz CVUCUISOTBHKAD-HLTSBHQESA-N -1 0 341.451 3.501 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000910252675 981827727 /nfs/dbraw/zinc/82/77/27/981827727.db2.gz WEGFJDNLQLHDPU-SHTZXODSSA-N -1 0 341.382 3.519 20 0 EHADRM CC[C@H](C(=O)Nc1c(C)nn(CCC(=O)[O-])c1C)C1CCC(C)CC1 ZINC000910304100 981861997 /nfs/dbraw/zinc/86/19/97/981861997.db2.gz XJCZMXZSTRECOB-MOQPWLNLSA-N -1 0 349.475 3.766 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cc2ccccc2nc1C ZINC001594794229 981868707 /nfs/dbraw/zinc/86/87/07/981868707.db2.gz XMQUCZHVHBUTNY-HXUWFJFHSA-N -1 0 340.423 3.649 20 0 EHADRM CCC(C)(C)C(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001594794725 981873486 /nfs/dbraw/zinc/87/34/86/981873486.db2.gz SGEQQUNUEHJNCV-UHFFFAOYSA-N -1 0 328.368 3.947 20 0 EHADRM CCC(C)(C)C1CCC(NC(=O)Nc2ccc(C(=O)[O-])nc2)CC1 ZINC001594796738 981880691 /nfs/dbraw/zinc/88/06/91/981880691.db2.gz JTJUKSRAKXWIDH-UHFFFAOYSA-N -1 0 333.432 3.896 20 0 EHADRM CCCC[C@@H](NC(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1)C(=O)[O-] ZINC001595634068 981881488 /nfs/dbraw/zinc/88/14/88/981881488.db2.gz FQGAOVRJNOJBQI-XJKSGUPXSA-N -1 0 335.444 3.511 20 0 EHADRM CCC(C)(C)C1CCC2(C[C@H]2C(=O)N[C@H](CC(F)F)C(=O)[O-])CC1 ZINC001594796917 981882788 /nfs/dbraw/zinc/88/27/88/981882788.db2.gz QXFAIDYVDWQGNT-NKXNIHSHSA-N -1 0 345.430 3.844 20 0 EHADRM CCC(C)(C)NC(=O)CSCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001594806016 981910668 /nfs/dbraw/zinc/91/06/68/981910668.db2.gz NACZGVDMKXPLOZ-UHFFFAOYSA-N -1 0 329.849 3.576 20 0 EHADRM CCC(C)(C)OCCNC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001594808600 981919842 /nfs/dbraw/zinc/91/98/42/981919842.db2.gz SYDCYEUCOYUYQA-UHFFFAOYSA-N -1 0 344.411 3.865 20 0 EHADRM CCCC[C@H](NC(=O)c1ccc(Oc2cc(C)ccn2)cc1)C(=O)[O-] ZINC001595636826 981922922 /nfs/dbraw/zinc/92/29/22/981922922.db2.gz TZLAOQKAZMJYSH-INIZCTEOSA-N -1 0 342.395 3.556 20 0 EHADRM CCC(C)(C)OCc1cccc(NC(=O)c2cc(C(=O)[O-])on2)c1C ZINC001594814660 981940047 /nfs/dbraw/zinc/94/00/47/981940047.db2.gz USMGVYSMIULCJS-UHFFFAOYSA-N -1 0 346.383 3.639 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H](OCC1CCCC1)c1ccccc1 ZINC001594816963 981953681 /nfs/dbraw/zinc/95/36/81/981953681.db2.gz LFFJGBSNIRTGEP-AZUAARDMSA-N -1 0 347.455 3.694 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)Cc1c[nH]c2ccc(Cl)cc12)C1CCCC1 ZINC000910564951 981991918 /nfs/dbraw/zinc/99/19/18/981991918.db2.gz QUHZAALVLKDHDL-MRXNPFEDSA-N -1 0 348.830 3.514 20 0 EHADRM CC(C)(C)c1cnc(NC(=O)c2ccccc2CCC(=O)[O-])s1 ZINC000910638571 982035946 /nfs/dbraw/zinc/03/59/46/982035946.db2.gz XDCCGBLFFYPLGR-UHFFFAOYSA-N -1 0 332.425 3.710 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)c2ccc(C(=O)[O-])s2)c1C1CC1 ZINC000910649782 982041683 /nfs/dbraw/zinc/04/16/83/982041683.db2.gz ZELVSHHYJNYJFX-VIFPVBQESA-N -1 0 333.413 3.744 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1C1CC1 ZINC000910649425 982041780 /nfs/dbraw/zinc/04/17/80/982041780.db2.gz XBTXGTJFFDVXMO-UBHSHLNASA-N -1 0 333.432 3.561 20 0 EHADRM Cc1ccc(-n2ncc(NC(=O)CCCCC(=O)[O-])c2C(C)C)cc1 ZINC000910659145 982045741 /nfs/dbraw/zinc/04/57/41/982045741.db2.gz QMYJFIVJOFYRIT-UHFFFAOYSA-N -1 0 343.427 3.888 20 0 EHADRM CC[C@@](C)(NC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001594841289 982052536 /nfs/dbraw/zinc/05/25/36/982052536.db2.gz BLUKRASRVNBOAO-PIGZYNQJSA-N -1 0 347.440 3.527 20 0 EHADRM CCCCC1CCC(C(=O)N(C)Cc2ccc(C(=O)[O-])cn2)CC1 ZINC001595657212 982059907 /nfs/dbraw/zinc/05/99/07/982059907.db2.gz NTDCNVMVKJUQEX-UHFFFAOYSA-N -1 0 332.444 3.735 20 0 EHADRM CC(C)c1nc(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)cs1 ZINC000910698959 982069692 /nfs/dbraw/zinc/06/96/92/982069692.db2.gz JLAVPPUJUJOPIO-UHFFFAOYSA-N -1 0 339.442 3.797 20 0 EHADRM CCOc1ccc(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)cc1 ZINC000910700967 982070510 /nfs/dbraw/zinc/07/05/10/982070510.db2.gz OGQREIMVJLRPHC-UHFFFAOYSA-N -1 0 334.397 3.616 20 0 EHADRM CC(C)c1sc(NC(=O)C(C)(C)CC(F)(F)F)nc1C(=O)[O-] ZINC000910705345 982074731 /nfs/dbraw/zinc/07/47/31/982074731.db2.gz FOXSURLESZCJKW-UHFFFAOYSA-N -1 0 338.351 3.882 20 0 EHADRM CCCC[C@H]1CCC[C@@H]1NC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001595661206 982075106 /nfs/dbraw/zinc/07/51/06/982075106.db2.gz RHGFNIDBLFEVPR-RDJZCZTQSA-N -1 0 332.444 3.585 20 0 EHADRM CCC[C@@H](C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1)C(C)C ZINC000910716636 982079003 /nfs/dbraw/zinc/07/90/03/982079003.db2.gz AGEMEKGZAHJSMJ-CHWSQXEVSA-N -1 0 338.473 3.886 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)c2cccn2C(C)C)nc1C(=O)[O-] ZINC000910719963 982081922 /nfs/dbraw/zinc/08/19/22/982081922.db2.gz DITCCEDNDUIZSP-LBPRGKRZSA-N -1 0 347.440 3.509 20 0 EHADRM C/C(=C\C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1)C(C)(C)C ZINC000910722925 982086332 /nfs/dbraw/zinc/08/63/32/982086332.db2.gz VKBMWTKDCRFCPL-VMPCVLLUSA-N -1 0 336.457 3.806 20 0 EHADRM O=C([O-])c1nc(NC(=O)C2(c3cccc(F)c3)CC2)sc1C1CC1 ZINC000910730902 982092939 /nfs/dbraw/zinc/09/29/39/982092939.db2.gz DPISDGVBZNEMFE-UHFFFAOYSA-N -1 0 346.383 3.528 20 0 EHADRM O=C([O-])c1nc(NC(=O)c2cc3c(s2)CCCC3)sc1C1CC1 ZINC000910738208 982099154 /nfs/dbraw/zinc/09/91/54/982099154.db2.gz XALZKDMKBHYRCS-UHFFFAOYSA-N -1 0 348.449 3.911 20 0 EHADRM O=C([O-])c1nc(NC(=O)CCCc2ccc(F)cc2)sc1C1CC1 ZINC000910742394 982107299 /nfs/dbraw/zinc/10/72/99/982107299.db2.gz QBZJJWOBXMQZEI-UHFFFAOYSA-N -1 0 348.399 3.819 20 0 EHADRM CCCCC[C@H](NC(=O)NC[C@H](CC(=O)[O-])C1CC1)C(C)(C)C ZINC001595671990 982128717 /nfs/dbraw/zinc/12/87/17/982128717.db2.gz ARIUWMZDJKIMBA-GJZGRUSLSA-N -1 0 326.481 3.782 20 0 EHADRM CC/C(C)=C(/C)C(=O)OCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001594860637 982139481 /nfs/dbraw/zinc/13/94/81/982139481.db2.gz MOBOMWZDLXRKNH-QXMHVHEDSA-N -1 0 329.352 3.829 20 0 EHADRM CC[C@](C)(OC)C(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001594862199 982152923 /nfs/dbraw/zinc/15/29/23/982152923.db2.gz UEXRPLOHLVGHEC-HNNXBMFYSA-N -1 0 345.848 3.660 20 0 EHADRM Cc1ccc(O)c(C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)c1 ZINC000108982339 1014805838 /nfs/dbraw/zinc/80/58/38/1014805838.db2.gz NLOLXZDEHFERPN-UHFFFAOYSA-N -1 0 348.406 3.548 20 0 EHADRM CCCCC[C@H](NC(=O)c1csc(-c2ccccc2C)n1)C(=O)[O-] ZINC001595680856 982157714 /nfs/dbraw/zinc/15/77/14/982157714.db2.gz JQTBBUKNKYDWTN-AWEZNQCLSA-N -1 0 346.452 3.882 20 0 EHADRM CCCCC[C@@H](NC(=O)c1ccnc(SC(C)(C)C)c1)C(=O)[O-] ZINC001595681272 982161500 /nfs/dbraw/zinc/16/15/00/982161500.db2.gz MVBVHZQQTVHFCA-CYBMUJFWSA-N -1 0 338.473 3.736 20 0 EHADRM CSCC1(CC(=O)Nc2ccc(SC)c(C(=O)[O-])c2)CC1 ZINC000910945473 982170809 /nfs/dbraw/zinc/17/08/09/982170809.db2.gz ALLANEJZJPHJIP-UHFFFAOYSA-N -1 0 325.455 3.579 20 0 EHADRM CSc1ccc(NC(=O)c2cc3c([nH]2)CCCC3)cc1C(=O)[O-] ZINC000910948138 982172611 /nfs/dbraw/zinc/17/26/11/982172611.db2.gz VBXLAJLHOXCMQS-UHFFFAOYSA-N -1 0 330.409 3.566 20 0 EHADRM Cc1cc(F)ccc1[C@H](C)NC(=O)CCc1ccccc1C(=O)[O-] ZINC000910989397 982185514 /nfs/dbraw/zinc/18/55/14/982185514.db2.gz XEEYZZVOUPNDFX-ZDUSSCGKSA-N -1 0 329.371 3.642 20 0 EHADRM CCCC[C@@H](C(=O)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1)C(C)C ZINC000911046485 982211405 /nfs/dbraw/zinc/21/14/05/982211405.db2.gz OTRRLZBQLZKNLA-CHWSQXEVSA-N -1 0 338.473 3.620 20 0 EHADRM COc1ccc([C@@H](NC(=O)c2oc(C(=O)[O-])cc2C)C2CCC2)cc1 ZINC000911063412 982221678 /nfs/dbraw/zinc/22/16/78/982221678.db2.gz VQASOLBJPDFDRV-INIZCTEOSA-N -1 0 343.379 3.566 20 0 EHADRM CCCCCC[C@H](CC)C(=O)N1[C@@H]2C[C@@H](C(=O)[O-])O[C@H]2CC[C@H]1C ZINC001595697952 982247544 /nfs/dbraw/zinc/24/75/44/982247544.db2.gz ODDHIQMIEPRKHT-ALYAQQCSSA-N -1 0 339.476 3.605 20 0 EHADRM O=C([O-])C12CCC(C(=O)Nc3cccc4ccc(O)cc43)(CC1)CC2 ZINC000911153907 982261997 /nfs/dbraw/zinc/26/19/97/982261997.db2.gz IYRNUKXGSUBSBA-UHFFFAOYSA-N -1 0 339.391 3.909 20 0 EHADRM CCCCCC[C@H](O)CCC(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC001595703287 982268554 /nfs/dbraw/zinc/26/85/54/982268554.db2.gz SOJCCBDEHNAMEY-CVEARBPZSA-N -1 0 347.455 3.703 20 0 EHADRM CCCCCCN(O)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001595708965 982288809 /nfs/dbraw/zinc/28/88/09/982288809.db2.gz NTXBNARGUNGDAR-HNNXBMFYSA-N -1 0 336.432 3.820 20 0 EHADRM CCCCCCO[C@H](C)C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1 ZINC001595711314 982299524 /nfs/dbraw/zinc/29/95/24/982299524.db2.gz ULPWMXCLFDCDRA-SNVBAGLBSA-N -1 0 340.445 3.643 20 0 EHADRM CCCCCCOc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)cc1 ZINC001595715640 982315198 /nfs/dbraw/zinc/31/51/98/982315198.db2.gz XZDWJBZPNUJAOO-RHSMWYFYSA-N -1 0 333.428 3.581 20 0 EHADRM CC(C)CCC(=O)N(Cc1ccoc1C(=O)[O-])[C@H](C)c1ccccn1 ZINC000911326462 982350914 /nfs/dbraw/zinc/35/09/14/982350914.db2.gz CWEPQKLJTKZQDK-CQSZACIVSA-N -1 0 344.411 3.899 20 0 EHADRM CC/C(C)=C/C(=O)N(Cc1ccoc1C(=O)[O-])[C@H](C)c1ccccn1 ZINC000911326949 982351785 /nfs/dbraw/zinc/35/17/85/982351785.db2.gz AYQAESFDJZZSFS-YPDDLIOESA-N -1 0 342.395 3.819 20 0 EHADRM CCCCCc1cc(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)n[nH]1 ZINC001595727727 982353942 /nfs/dbraw/zinc/35/39/42/982353942.db2.gz JLJCMJNQZULCHR-UHFFFAOYSA-N -1 0 340.383 3.574 20 0 EHADRM CCCCN(C(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccccn1 ZINC001595732207 982367805 /nfs/dbraw/zinc/36/78/05/982367805.db2.gz SRXVIACKEWPIBO-UHFFFAOYSA-N -1 0 332.787 3.880 20 0 EHADRM CC(C)(CC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)C(F)(F)F ZINC000911386750 982409881 /nfs/dbraw/zinc/40/98/81/982409881.db2.gz IEQVPYIFELNVJZ-UHFFFAOYSA-N -1 0 328.290 3.783 20 0 EHADRM CC(=O)c1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1C ZINC000911398648 982417091 /nfs/dbraw/zinc/41/70/91/982417091.db2.gz ZPNLOXLDFJURKA-UHFFFAOYSA-N -1 0 329.396 3.561 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1cc2cccc(Cl)c2s1)C(=O)[O-] ZINC001594912789 982425508 /nfs/dbraw/zinc/42/55/08/982425508.db2.gz ULAUIEWVNZBWAE-UFBFGSQYSA-N -1 0 325.817 3.784 20 0 EHADRM CCCCN1C(=O)N[C@H](c2ccc(C(F)F)cc2)C(C(=O)[O-])=C1C ZINC001595749576 982426067 /nfs/dbraw/zinc/42/60/67/982426067.db2.gz MVJJZJSDSHOLPX-CQSZACIVSA-N -1 0 338.354 3.849 20 0 EHADRM Cc1ncc(-c2ccccc2)cc1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000911429653 982429707 /nfs/dbraw/zinc/42/97/07/982429707.db2.gz DSTHZVMCPSWLPA-JKSUJKDBSA-N -1 0 338.407 3.887 20 0 EHADRM CCCCN1CCc2ccc(NC(=O)c3cc(C(=O)[O-])oc3C)cc21 ZINC001595751921 982437536 /nfs/dbraw/zinc/43/75/36/982437536.db2.gz YIZPEDCFAYOLRP-UHFFFAOYSA-N -1 0 342.395 3.701 20 0 EHADRM CCCCOc1ccc(C(=O)Nc2cccnc2C(=O)[O-])c(Cl)c1 ZINC001595776618 982544170 /nfs/dbraw/zinc/54/41/70/982544170.db2.gz IFZGASKRMRBCRL-UHFFFAOYSA-N -1 0 348.786 3.864 20 0 EHADRM CCCCOc1ccc(C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)c(Cl)c1 ZINC001595776876 982544494 /nfs/dbraw/zinc/54/44/94/982544494.db2.gz KBJRCTRBYYHELE-NHYWBVRUSA-N -1 0 341.835 3.748 20 0 EHADRM CC[C@H](C)[C@H](Sc1nnc(-c2ccc(F)cc2)n1CC)C(=O)[O-] ZINC001594930388 982551409 /nfs/dbraw/zinc/55/14/09/982551409.db2.gz WILJDRHXSYOCOB-GWCFXTLKSA-N -1 0 337.420 3.696 20 0 EHADRM CCCCS[C@H](C)C(=O)N1CCCc2c(C)ccc(C(=O)[O-])c21 ZINC001595785624 982569477 /nfs/dbraw/zinc/56/94/77/982569477.db2.gz ABTGLPVGPQISMY-CYBMUJFWSA-N -1 0 335.469 3.894 20 0 EHADRM CCCCS[C@H](C)C(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC001595785880 982573416 /nfs/dbraw/zinc/57/34/16/982573416.db2.gz KJHBLRDAUNSDEL-KBMXLJTQSA-N -1 0 335.469 3.725 20 0 EHADRM COc1cccc(C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)c1C ZINC000911734565 982619054 /nfs/dbraw/zinc/61/90/54/982619054.db2.gz VQAKDANGNPBDHJ-UHFFFAOYSA-N -1 0 343.379 3.741 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC001594942419 982619375 /nfs/dbraw/zinc/61/93/75/982619375.db2.gz PSBNQMQBBGOIBN-TVQRCGJNSA-N -1 0 332.227 3.542 20 0 EHADRM CC(C)Oc1c(NC(=O)CCc2ccccc2F)cccc1C(=O)[O-] ZINC000911738272 982620576 /nfs/dbraw/zinc/62/05/76/982620576.db2.gz ARTJUMRLIVUZSP-UHFFFAOYSA-N -1 0 345.370 3.882 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)Cc1cccc(Cl)c1Cl)C(=O)[O-] ZINC001594943101 982622099 /nfs/dbraw/zinc/62/20/99/982622099.db2.gz UUMWFQSYUHGFII-SKDRFNHKSA-N -1 0 332.227 3.542 20 0 EHADRM CC(C)Oc1c(NC(=O)[C@H](C)Oc2ccccc2)cccc1C(=O)[O-] ZINC000911739638 982622097 /nfs/dbraw/zinc/62/20/97/982622097.db2.gz WTJZUWGNFFGLNC-ZDUSSCGKSA-N -1 0 343.379 3.578 20 0 EHADRM CCCCn1ncc(NC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c1C ZINC001595807517 982634361 /nfs/dbraw/zinc/63/43/61/982634361.db2.gz MMETYCKIFDDCOC-UHFFFAOYSA-N -1 0 344.415 3.951 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)c1ccc(-c2csc(C)n2)cc1)C(=O)[O-] ZINC001594945897 982636834 /nfs/dbraw/zinc/63/68/34/982636834.db2.gz IITLRFRVZNKILJ-ABAIWWIYSA-N -1 0 346.452 3.738 20 0 EHADRM CCCCn1ncc(N[C@H](C)c2ccccc2OCC(=O)[O-])c1C ZINC001595810481 982645833 /nfs/dbraw/zinc/64/58/33/982645833.db2.gz LBPZXJQODRQAFZ-CYBMUJFWSA-N -1 0 331.416 3.628 20 0 EHADRM CCCN(C(=O)[C@H](OCC1CCCC1)c1ccccc1)[C@H](C)C(=O)[O-] ZINC001595814816 982662164 /nfs/dbraw/zinc/66/21/64/982662164.db2.gz VJIVXLVVENDRLS-CRAIPNDOSA-N -1 0 347.455 3.646 20 0 EHADRM CC[C@H](C)C[C@H](Nc1nc(-c2cc(F)cc(F)c2)ns1)C(=O)[O-] ZINC001594952198 982666378 /nfs/dbraw/zinc/66/63/78/982666378.db2.gz FTGMPIWCEZVTOH-UFBFGSQYSA-N -1 0 341.383 3.785 20 0 EHADRM CCCN(C(=O)Cc1cc2c(ccc3ccccc23)o1)[C@@H](C)C(=O)[O-] ZINC001595822942 982695949 /nfs/dbraw/zinc/69/59/49/982695949.db2.gz TUBSPRQTZXKPHB-ZDUSSCGKSA-N -1 0 339.391 3.840 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1ccsc1C(F)F)c1ccccc1 ZINC000923061672 982701386 /nfs/dbraw/zinc/70/13/86/982701386.db2.gz JPCOHTMGWWAWSU-SKDRFNHKSA-N -1 0 339.363 3.878 20 0 EHADRM CCCN(C(=O)c1cc(C2CC2)nc2ccc(C)cc21)[C@H](C)C(=O)[O-] ZINC001595824755 982707056 /nfs/dbraw/zinc/70/70/56/982707056.db2.gz UQXXTPUHFWNYEF-CYBMUJFWSA-N -1 0 340.423 3.746 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@]2(c3ccccc3)CCCO2)cc1 ZINC000923081510 982712135 /nfs/dbraw/zinc/71/21/35/982712135.db2.gz VEQGYOGBOBOQRV-VBKZILBWSA-N -1 0 339.391 3.519 20 0 EHADRM CCCN(C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3)[C@@H](C)C(=O)[O-] ZINC001595829868 982716242 /nfs/dbraw/zinc/71/62/42/982716242.db2.gz GTUMJVRKFXKOID-ZDUSSCGKSA-N -1 0 342.439 3.762 20 0 EHADRM COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cc(C(=O)[O-])sc1C ZINC000923090105 982716385 /nfs/dbraw/zinc/71/63/85/982716385.db2.gz KRJBNWBGOSKAPM-NWDGAFQWSA-N -1 0 331.393 3.506 20 0 EHADRM CC[C@@H](C)N(C)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1C ZINC001594967319 982726957 /nfs/dbraw/zinc/72/69/57/982726957.db2.gz POYKIXQXZIVAAR-MRVPVSSYSA-N -1 0 343.221 3.718 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)CCCCc1ccc(Cl)cc1 ZINC001594971461 982740744 /nfs/dbraw/zinc/74/07/44/982740744.db2.gz HQEJEJRISCGGIA-CYBMUJFWSA-N -1 0 325.836 3.765 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc(-c2cccc(F)c2)s1 ZINC001594975433 982749337 /nfs/dbraw/zinc/74/93/37/982749337.db2.gz IPBFSCAKLPQPMU-NSHDSACASA-N -1 0 335.400 3.880 20 0 EHADRM CCCN(C)c1ccccc1NC(=O)N[C@H](CC(=O)[O-])C1CCCC1 ZINC001595839217 982750991 /nfs/dbraw/zinc/75/09/91/982750991.db2.gz CAHCEXSFDZTMAV-MRXNPFEDSA-N -1 0 347.459 3.688 20 0 EHADRM CC(C)[C@H]1C[C@H](CC(=O)Nc2cc(F)cc(Cl)c2[O-])CCO1 ZINC000274757755 1014872112 /nfs/dbraw/zinc/87/21/12/1014872112.db2.gz YDUZBVSDJGVGCG-QMTHXVAHSA-N -1 0 329.799 3.965 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)C[C@@H](C)CC(C)(C)C ZINC000655050637 1014881683 /nfs/dbraw/zinc/88/16/83/1014881683.db2.gz UKXMKPLFBPBACX-LLVKDONJSA-N -1 0 330.432 3.887 20 0 EHADRM O=C([O-])CCC1(NC(=O)Cc2nsc3ccccc23)CCCCC1 ZINC000923215648 982846857 /nfs/dbraw/zinc/84/68/57/982846857.db2.gz MAXBYLTVJSJKNC-UHFFFAOYSA-N -1 0 346.452 3.523 20 0 EHADRM CC(C)[C@@H]1C[C@H](CC(=O)NC2(CCC(=O)[O-])CCCCC2)CCO1 ZINC000923217721 982848726 /nfs/dbraw/zinc/84/87/26/982848726.db2.gz HUBLEAYLITUZGF-CVEARBPZSA-N -1 0 339.476 3.512 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C\C(=O)NCC(CC)(CC)C(=O)[O-] ZINC001595003395 982915311 /nfs/dbraw/zinc/91/53/11/982915311.db2.gz DEZRHRQUQLLUSM-WIDZWVOGSA-N -1 0 347.455 3.884 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)N[C@](C)(CC(=O)[O-])C1CC1 ZINC001595003740 982916140 /nfs/dbraw/zinc/91/61/40/982916140.db2.gz FJNWSECSBFZHEY-FDCQJCQOSA-N -1 0 345.439 3.637 20 0 EHADRM CCCN(c1ccc(CC)cc1)S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001595894690 982931500 /nfs/dbraw/zinc/93/15/00/982931500.db2.gz RAMOBQQWOQIHSU-UHFFFAOYSA-N -1 0 347.436 3.553 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)N[C@H](CC(=O)[O-])C(C)(C)C ZINC001595014260 982950997 /nfs/dbraw/zinc/95/09/97/982950997.db2.gz QCRXTMLNJYBAND-XJKSGUPXSA-N -1 0 335.444 3.585 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N3CC4(C3)CCCC4)s2)c1 ZINC000547669504 1014898801 /nfs/dbraw/zinc/89/88/01/1014898801.db2.gz ZLAOBXQAGVAMNY-UHFFFAOYSA-N -1 0 342.468 3.652 20 0 EHADRM C[C@](NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12)(C(=O)[O-])c1ccccc1 ZINC001573611902 983068398 /nfs/dbraw/zinc/06/83/98/983068398.db2.gz VFTLOQMVWTYGTK-UJAMICLKSA-N -1 0 329.440 3.709 20 0 EHADRM CCCOc1ccc(NC(=O)c2ccc(/C=C/C(=O)[O-])o2)c(C)c1 ZINC001595961150 983156980 /nfs/dbraw/zinc/15/69/80/983156980.db2.gz TZCPXIJBSBXVHV-RMKNXTFCSA-N -1 0 329.352 3.727 20 0 EHADRM CCCOc1cccc(NC(=O)N[C@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC001595969994 983193529 /nfs/dbraw/zinc/19/35/29/983193529.db2.gz UZGIBFWXFGNRHO-SNVBAGLBSA-N -1 0 349.412 3.513 20 0 EHADRM CCC[C@@H](NC(=O)C1(c2c(Cl)cccc2Cl)CCC1)C(=O)[O-] ZINC001595992942 983247827 /nfs/dbraw/zinc/24/78/27/983247827.db2.gz MYNWTHFWHQHQTE-GFCCVEGCSA-N -1 0 344.238 3.785 20 0 EHADRM CCCc1ccc([C@@H](NC(=O)c2ccc(C(=O)[O-])cn2)C(C)C)cc1 ZINC001596062197 983370780 /nfs/dbraw/zinc/37/07/80/983370780.db2.gz BGPFBDSSTDHUBJ-SFHVURJKSA-N -1 0 340.423 3.859 20 0 EHADRM CCCc1ccc(CCCC(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1 ZINC001596063429 983375185 /nfs/dbraw/zinc/37/51/85/983375185.db2.gz YLXSMQOPHJEHIZ-UHFFFAOYSA-N -1 0 328.412 3.637 20 0 EHADRM CCCc1cccc(C(C)C)c1NC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001596069321 983384209 /nfs/dbraw/zinc/38/42/09/983384209.db2.gz WSNKBGVCZBENQR-CZUORRHYSA-N -1 0 332.444 3.947 20 0 EHADRM CCCc1ncc(CN[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)o1 ZINC001596089304 983411637 /nfs/dbraw/zinc/41/16/37/983411637.db2.gz VTDAATZAJCQIAB-CQSZACIVSA-N -1 0 342.317 3.561 20 0 EHADRM CCN(C(=O)[C@H](C)CC(=O)[O-])[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001596126663 983466043 /nfs/dbraw/zinc/46/60/43/983466043.db2.gz DUPZWZGFILFVOJ-NEPJUHHUSA-N -1 0 345.361 3.596 20 0 EHADRM CCN(C(=O)/C(C)=C\c1ccc(C)cc1)c1ncc(C(=O)[O-])s1 ZINC001596128126 983471582 /nfs/dbraw/zinc/47/15/82/983471582.db2.gz SMYFAHWJFZANEI-XFXZXTDPSA-N -1 0 330.409 3.606 20 0 EHADRM CCN(C(=O)[C@H](SC)c1ccccc1)c1ccccc1C(=O)[O-] ZINC001596131566 983479020 /nfs/dbraw/zinc/47/90/20/983479020.db2.gz OZSAIMNNXTZEOJ-MRXNPFEDSA-N -1 0 329.421 3.842 20 0 EHADRM CCN(C(=O)CCCc1cccc(C(F)(F)F)c1)C(C)(C)C(=O)[O-] ZINC001596137410 983486159 /nfs/dbraw/zinc/48/61/59/983486159.db2.gz KJWCPSCTMATOFP-UHFFFAOYSA-N -1 0 345.361 3.740 20 0 EHADRM CCN(C(=O)/C=C\c1cc(C(=O)[O-])co1)c1ccc(Cl)c(F)c1 ZINC001596137580 983487049 /nfs/dbraw/zinc/48/70/49/983487049.db2.gz MOJUOLWKUWKSTK-XQRVVYSFSA-N -1 0 337.734 3.837 20 0 EHADRM CCN(C(=O)NC1CC(CC(=O)[O-])C1)[C@H](C)c1cc2ccccc2o1 ZINC001596148841 983505620 /nfs/dbraw/zinc/50/56/20/983505620.db2.gz DSTRGZCOIJKVGF-DNOWBOINSA-N -1 0 344.411 3.779 20 0 EHADRM CCN(C(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-])C1CC1 ZINC001596158105 983520001 /nfs/dbraw/zinc/52/00/01/983520001.db2.gz KWNXCIYGKFILGV-UHFFFAOYSA-N -1 0 342.848 3.923 20 0 EHADRM CCN(C(=O)c1ccc(COc2ccccc2)cc1)C(C)(C)C(=O)[O-] ZINC001596167589 983532997 /nfs/dbraw/zinc/53/29/97/983532997.db2.gz ZHGOJVROWVPVDE-UHFFFAOYSA-N -1 0 341.407 3.591 20 0 EHADRM CCN(CC)C(=S)SCc1ccc(C(=O)[O-])c2cccnc12 ZINC001596253563 983657587 /nfs/dbraw/zinc/65/75/87/983657587.db2.gz BBWSERCJZQJUBV-UHFFFAOYSA-N -1 0 334.466 3.793 20 0 EHADRM CCN(CC)c1ccc(C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])cc1 ZINC001596289538 983709727 /nfs/dbraw/zinc/70/97/27/983709727.db2.gz KQVIOKKJJVAMQD-QGZVFWFLSA-N -1 0 346.471 3.544 20 0 EHADRM CCN(Cc1c[nH]c2ccccc12)Cn1nc(C(=O)[O-])c(Cl)c1C ZINC001596354219 983814632 /nfs/dbraw/zinc/81/46/32/983814632.db2.gz DRIVBPXLARQCOX-UHFFFAOYSA-N -1 0 346.818 3.504 20 0 EHADRM CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(C(=O)[O-])c1C ZINC001596363001 983842214 /nfs/dbraw/zinc/84/22/14/983842214.db2.gz PQOXQVRBWCNWRB-UHFFFAOYSA-N -1 0 342.395 3.756 20 0 EHADRM CCN(Cc1occc1C)C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC001596380672 983903418 /nfs/dbraw/zinc/90/34/18/983903418.db2.gz UIRTXANLPKVVRY-UHFFFAOYSA-N -1 0 330.384 3.957 20 0 EHADRM CCNc1ccc(C)cc1C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC001596501329 984254264 /nfs/dbraw/zinc/25/42/64/984254264.db2.gz OVNRHJOIWVILAO-ZDUSSCGKSA-N -1 0 326.396 3.867 20 0 EHADRM CCNc1ccc(C)cc1C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001596501368 984254892 /nfs/dbraw/zinc/25/48/92/984254892.db2.gz RIMPWHNESIDPND-CQSZACIVSA-N -1 0 340.423 3.942 20 0 EHADRM CCNc1ccc(C)cc1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001596501367 984254954 /nfs/dbraw/zinc/25/49/54/984254954.db2.gz RIMPWHNESIDPND-AWEZNQCLSA-N -1 0 340.423 3.942 20 0 EHADRM CCOC(=O)C1CCC(Nc2ccc(C(C)(C)C(=O)[O-])cc2)CC1 ZINC001596570721 984464633 /nfs/dbraw/zinc/46/46/33/984464633.db2.gz SEIGDRSJFRHHKR-UHFFFAOYSA-N -1 0 333.428 3.583 20 0 EHADRM C=Cc1ccccc1NC(=O)N[C@H](CC(=O)[O-])c1ccc(OC)cc1 ZINC001588921199 984578221 /nfs/dbraw/zinc/57/82/21/984578221.db2.gz AQVDXVDOWMVRNE-QGZVFWFLSA-N -1 0 340.379 3.676 20 0 EHADRM C=Cc1ccc(CCNC(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC001588921855 984580495 /nfs/dbraw/zinc/58/04/95/984580495.db2.gz NZPRGBWODHWAIN-UHFFFAOYSA-N -1 0 338.407 3.711 20 0 EHADRM C/C(=C/C(=O)NC[C@H](Cc1cccc(C)c1)C(=O)[O-])c1cccs1 ZINC001588938653 984623684 /nfs/dbraw/zinc/62/36/84/984623684.db2.gz ILVCCMFAAPLKQE-DNXIFWLFSA-N -1 0 343.448 3.520 20 0 EHADRM C/C(=C/C(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1)c1ccc(F)cc1 ZINC001588939268 984628502 /nfs/dbraw/zinc/62/85/02/984628502.db2.gz MOPDDGJBDRVDNQ-RMHQSFGDSA-N -1 0 341.382 3.870 20 0 EHADRM C/C(=C\C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)c1ccccc1C ZINC001588939348 984629123 /nfs/dbraw/zinc/62/91/23/984629123.db2.gz ODECXFMFHYQGAT-XRHIAGSSSA-N -1 0 349.430 3.725 20 0 EHADRM C/C(=C/C(=O)NCc1cc(C(=O)[O-])c(C)o1)c1cccc(Cl)c1 ZINC001588942325 984635037 /nfs/dbraw/zinc/63/50/37/984635037.db2.gz HMFNXRALHKDSSS-POHAHGRESA-N -1 0 333.771 3.659 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1 ZINC001599887667 984656388 /nfs/dbraw/zinc/65/63/88/984656388.db2.gz QLAJMPOIPXRMSC-SECBINFHSA-N -1 0 332.322 3.511 20 0 EHADRM Cc1ccccc1CN(C(=O)c1cc(F)c(F)c([O-])c1F)C1CC1 ZINC000348596733 1015055036 /nfs/dbraw/zinc/05/50/36/1015055036.db2.gz JQSZELFVHJEHLV-UHFFFAOYSA-N -1 0 335.325 3.923 20 0 EHADRM C/C(=C\C(=O)O[C@H](C(=O)[O-])C1CC1)c1cccc(C(F)(F)F)c1 ZINC001588952929 984690339 /nfs/dbraw/zinc/69/03/39/984690339.db2.gz FCDRBFGEZMHGFF-KGXGESDWSA-N -1 0 328.286 3.515 20 0 EHADRM C/C(=C/C1CCC(C)CC1)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC001588956745 984708371 /nfs/dbraw/zinc/70/83/71/984708371.db2.gz ZRQYUNGQULIJJF-KVJWROKDSA-N -1 0 329.440 3.744 20 0 EHADRM C[C@H](NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-])C1CCCCCC1 ZINC001599899782 984798709 /nfs/dbraw/zinc/79/87/09/984798709.db2.gz OFHYARIWDYLQBW-ZDUSSCGKSA-N -1 0 342.439 3.884 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001588995909 984930045 /nfs/dbraw/zinc/93/00/45/984930045.db2.gz WHSWRYWXELMXLE-GPZRYRNASA-N -1 0 341.382 3.522 20 0 EHADRM C[C@H](OC(=O)c1cccc([C@H]2CCOC2)c1)c1ccc(C(=O)[O-])cc1 ZINC001599906691 984932038 /nfs/dbraw/zinc/93/20/38/984932038.db2.gz UVBKEMWGBFYIKO-UGSOOPFHSA-N -1 0 340.375 3.807 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC001588998412 984934958 /nfs/dbraw/zinc/93/49/58/984934958.db2.gz KPADXEIWJQOASN-MDNBWPLSSA-N -1 0 341.382 3.788 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001588998521 984935598 /nfs/dbraw/zinc/93/55/98/984935598.db2.gz MBGSTOACFHGIOR-HJWRWDBZSA-N -1 0 335.281 3.844 20 0 EHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)NCc1ccccc1C(=O)[O-] ZINC001588998962 984935715 /nfs/dbraw/zinc/93/57/15/984935715.db2.gz OTLBIONZGVGSEO-BENRWUELSA-N -1 0 329.783 3.758 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)c2cc3cc(Cl)sc3[nH]2)(C(=O)[O-])CC1 ZINC001599907020 984936772 /nfs/dbraw/zinc/93/67/72/984936772.db2.gz ABSXJLLWECVLEH-APXWNHPRSA-N -1 0 340.832 3.646 20 0 EHADRM C/C(=C/c1ccccc1)CN(C)Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001589003491 984953048 /nfs/dbraw/zinc/95/30/48/984953048.db2.gz BLJGXZPPFXHYDZ-UVTDQMKNSA-N -1 0 335.407 3.796 20 0 EHADRM C/C(=C\c1ccncc1)C(=O)Nc1c(C(=O)[O-])ccc2ccccc21 ZINC001589011331 984989884 /nfs/dbraw/zinc/98/98/84/984989884.db2.gz ZMBKVQLMLKJFFF-OUKQBFOZSA-N -1 0 332.359 3.975 20 0 EHADRM CCOC(=O)c1ccc(SC[C@@H]2CCCC[C@H]2C(=O)[O-])c(F)c1 ZINC001596729700 984990529 /nfs/dbraw/zinc/99/05/29/984990529.db2.gz UCXJVTXDXWRRSJ-QWHCGFSZSA-N -1 0 340.416 3.986 20 0 EHADRM CC(=O)CC(C)(C)CC(=O)Nc1ccc(OC(C)C)cc1C(=O)[O-] ZINC001589030104 985058105 /nfs/dbraw/zinc/05/81/05/985058105.db2.gz PRJSZEZZKABDEO-UHFFFAOYSA-N -1 0 335.400 3.506 20 0 EHADRM CC(=O)CC1(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)CCC1 ZINC001589031138 985068626 /nfs/dbraw/zinc/06/86/26/985068626.db2.gz ZYYRIRKNBNNCCI-UHFFFAOYSA-N -1 0 325.364 3.626 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(OC3CCCC3)cc2)C[C@]1(C)C(=O)[O-] ZINC001599922707 985158742 /nfs/dbraw/zinc/15/87/42/985158742.db2.gz ZANSLWQMYTWITJ-DJJJIMSYSA-N -1 0 346.427 3.583 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(-c3cccc(F)c3)s2)C[C@]1(C)C(=O)[O-] ZINC001599924694 985183946 /nfs/dbraw/zinc/18/39/46/985183946.db2.gz XNRBODIJPWSSTO-VOJFVSQTSA-N -1 0 347.411 3.737 20 0 EHADRM CC(=O)N1CCCc2cc(NCc3ccc(C(=O)[O-])c(C)c3)ccc21 ZINC001589077657 985234582 /nfs/dbraw/zinc/23/45/82/985234582.db2.gz QVEQVEBTGTWPIH-UHFFFAOYSA-N -1 0 338.407 3.604 20 0 EHADRM CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(C(=O)[O-])cc2CC)C1(C)C ZINC001596809096 985341257 /nfs/dbraw/zinc/34/12/57/985341257.db2.gz HMTBXCSSDBASSG-HZPDHXFCSA-N -1 0 348.443 3.615 20 0 EHADRM C[Si](C)(C)CCCC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001599939420 985436364 /nfs/dbraw/zinc/43/63/64/985436364.db2.gz GGQZTSASVVVPEW-CQSZACIVSA-N -1 0 345.874 3.839 20 0 EHADRM C[C@]12CN(c3cc(C(F)(F)F)c(C(=O)[O-])cn3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001599939788 985440268 /nfs/dbraw/zinc/44/02/68/985440268.db2.gz YLCMEKHNVXHLFR-VRBDWZDPSA-N -1 0 340.345 3.671 20 0 EHADRM C[Si](C)(C)CCCC(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1 ZINC001599939913 985441801 /nfs/dbraw/zinc/44/18/01/985441801.db2.gz MAOOJDFVIJQKCW-OAHLLOKOSA-N -1 0 327.541 3.892 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)OC(=O)C[C@@H]2CCC[C@H](C)C2)c(C)c1C(=O)[O-] ZINC001599942642 985474419 /nfs/dbraw/zinc/47/44/19/985474419.db2.gz ALOFVGMHUUEPGG-LEWSCRJBSA-N -1 0 349.427 3.661 20 0 EHADRM Cc1[nH]c(C(=O)CN2CCCSc3ccccc32)c(C)c1C(=O)[O-] ZINC001599944393 985499009 /nfs/dbraw/zinc/49/90/09/985499009.db2.gz DTSUSIBRHQJFEZ-UHFFFAOYSA-N -1 0 344.436 3.515 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CC(C)(C)C1 ZINC001594478551 985505754 /nfs/dbraw/zinc/50/57/54/985505754.db2.gz OOLQPYWROZBVNH-SECBINFHSA-N -1 0 326.343 3.563 20 0 EHADRM CCO[C@@H]1C[C@H](Nc2nc(Cl)c(C(=O)[O-])s2)C1(CC)CC ZINC001596841704 985527031 /nfs/dbraw/zinc/52/70/31/985527031.db2.gz CIMZKSXPTQSUBM-DTWKUNHWSA-N -1 0 332.853 3.890 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cnc(C(=O)[O-])c(Cl)c2)[C@@H]1c1ccccc1 ZINC001594481495 985528307 /nfs/dbraw/zinc/52/83/07/985528307.db2.gz CFBKQNIDDFUAAD-BONVTDFDSA-N -1 0 345.786 3.658 20 0 EHADRM Cc1[nH]c(C(=O)N(Cc2cccc(F)c2)C(C)C)c(C)c1C(=O)[O-] ZINC001599950694 985601781 /nfs/dbraw/zinc/60/17/81/985601781.db2.gz LZPNUHIUKZNAAK-UHFFFAOYSA-N -1 0 332.375 3.520 20 0 EHADRM C[C@H]1CN([C@H](C(=O)[O-])c2c(F)cccc2Cl)CC2(CCCC2)O1 ZINC001594498945 985661151 /nfs/dbraw/zinc/66/11/51/985661151.db2.gz AYPTVJYZRSHPGZ-NHYWBVRUSA-N -1 0 341.810 3.638 20 0 EHADRM CC(=O)Nc1cccc(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)c1 ZINC001589204835 985664167 /nfs/dbraw/zinc/66/41/67/985664167.db2.gz FOZUSVNFYXYYLN-UHFFFAOYSA-N -1 0 348.358 3.749 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCCc1ccc(C(C)(C)C)cc1 ZINC001599955959 985689703 /nfs/dbraw/zinc/68/97/03/985689703.db2.gz ZCYJKCMYSVHSOV-UHFFFAOYSA-N -1 0 342.439 3.600 20 0 EHADRM Cc1[nH]c2ccccc2c1CC(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC001599965728 985901567 /nfs/dbraw/zinc/90/15/67/985901567.db2.gz UXNRUZMNEKSWSA-UHFFFAOYSA-N -1 0 341.338 3.600 20 0 EHADRM CC(=O)c1ccc(NCc2ncc(C(=O)[O-])s2)cc1C(F)(F)F ZINC001589290938 986031992 /nfs/dbraw/zinc/03/19/92/986031992.db2.gz HICUNAIPQQDEQT-UHFFFAOYSA-N -1 0 344.314 3.675 20 0 EHADRM CC(=O)c1csc(C(=O)O[C@H](CCCc2ccccc2)C(=O)[O-])c1 ZINC001589322620 986134319 /nfs/dbraw/zinc/13/43/19/986134319.db2.gz IUWKJYVCYYJSJP-OAHLLOKOSA-N -1 0 346.404 3.584 20 0 EHADRM C[C@H]1CN(Cc2cc(Br)ccc2C(=O)[O-])CCC1(F)F ZINC001594535636 986148035 /nfs/dbraw/zinc/14/80/35/986148035.db2.gz NQYQLZVVIHAKJD-VIFPVBQESA-N -1 0 348.187 3.624 20 0 EHADRM CCOCc1ccc(NC(=O)Nc2cc(C(=O)[O-])sc2C)cc1 ZINC001596966404 986175000 /nfs/dbraw/zinc/17/50/00/986175000.db2.gz RAEWKVXFXOTGIZ-UHFFFAOYSA-N -1 0 334.397 3.935 20 0 EHADRM Cc1c(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)ccn1C(C)C ZINC001599983785 986201335 /nfs/dbraw/zinc/20/13/35/986201335.db2.gz PBQDAIQVMBDHMY-UHFFFAOYSA-N -1 0 344.411 3.873 20 0 EHADRM CCOc1c(Cl)cccc1NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001596992224 986275481 /nfs/dbraw/zinc/27/54/81/986275481.db2.gz DNYSFFLGCAGGBE-MNOVXSKESA-N -1 0 340.807 3.504 20 0 EHADRM C[C@@H](C(=O)N1CCCc2ccc(C(=O)[O-])cc21)c1cccc(F)c1 ZINC001589358737 986351176 /nfs/dbraw/zinc/35/11/76/986351176.db2.gz FGSIGBUETHSVQJ-GFCCVEGCSA-N -1 0 327.355 3.607 20 0 EHADRM C[C@H]1CN(c2ccc(NC3CCC(CC(=O)[O-])CC3)cc2)C[C@H](C)O1 ZINC001594576265 986418155 /nfs/dbraw/zinc/41/81/55/986418155.db2.gz WBFAEEDFBCMXBH-JUVOFCAFSA-N -1 0 346.471 3.746 20 0 EHADRM C[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccsc1)c1ccc2ccccc2c1 ZINC001589378436 986443862 /nfs/dbraw/zinc/44/38/62/986443862.db2.gz JVVFLNPCSVURIS-YVEFUNNKSA-N -1 0 339.416 3.947 20 0 EHADRM CCOc1ccc([C@@H](Nc2nccc(C(=O)[O-])n2)c2ccccc2)cc1 ZINC001597074598 986600582 /nfs/dbraw/zinc/60/05/82/986600582.db2.gz QDPQOKAVDDPDBS-SFHVURJKSA-N -1 0 349.390 3.775 20 0 EHADRM C[C@H]1Cc2cc(C(=O)Nc3ccc(C(=O)[O-])c(Cl)c3)ccc2O1 ZINC001594614749 986628630 /nfs/dbraw/zinc/62/86/30/986628630.db2.gz GVHIQJCITQDXRW-VIFPVBQESA-N -1 0 331.755 3.614 20 0 EHADRM C[C@H](C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC001589424133 986688876 /nfs/dbraw/zinc/68/88/76/986688876.db2.gz YSEYECIYPZOIFE-UMNHJUIQSA-N -1 0 344.238 3.857 20 0 EHADRM CCOc1ccc(CCC(=O)Nc2scc(C)c2C(=O)[O-])cc1 ZINC001597095812 986697401 /nfs/dbraw/zinc/69/74/01/986697401.db2.gz PJVBMHVWPIILFW-UHFFFAOYSA-N -1 0 333.409 3.725 20 0 EHADRM C[C@H](C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)c1cccc(F)c1 ZINC001589429340 986708387 /nfs/dbraw/zinc/70/83/87/986708387.db2.gz NQHYIPYACOJMPG-JTQLQIEISA-N -1 0 326.327 3.747 20 0 EHADRM CC(C(=O)Nc1cc(-c2ccncc2)sc1C(=O)[O-])=C1CCC1 ZINC001589429942 986712675 /nfs/dbraw/zinc/71/26/75/986712675.db2.gz OTKIBHJEPNBOSS-UHFFFAOYSA-N -1 0 328.393 3.947 20 0 EHADRM CCOc1ccc(NC(=O)[C@H](C)c2cccs2)c(C(=O)[O-])c1F ZINC001597113443 986787467 /nfs/dbraw/zinc/78/74/67/986787467.db2.gz UERVIFZIYPSZLR-SECBINFHSA-N -1 0 337.372 3.726 20 0 EHADRM CCOc1ccc(NC(=O)N[C@@H](CC(=O)[O-])C2CCCC2)c(C)c1 ZINC001597119328 986805205 /nfs/dbraw/zinc/80/52/05/986805205.db2.gz RJFYGOSCNFWUBV-INIZCTEOSA-N -1 0 334.416 3.549 20 0 EHADRM CCOc1ccc(NC(=O)c2ccn(C(C)C)c2C)c(C(=O)[O-])c1F ZINC001597123172 986823752 /nfs/dbraw/zinc/82/37/52/986823752.db2.gz QVAJAHXTLMMYFX-UHFFFAOYSA-N -1 0 348.374 3.866 20 0 EHADRM CCOc1ccc([C@H](C)OC(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC001597143257 986899261 /nfs/dbraw/zinc/89/92/61/986899261.db2.gz YPHOJGUOIGNTFU-ZDUSSCGKSA-N -1 0 328.364 3.630 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Nc1cccc(C2CC2)n1)c1ccccc1 ZINC001589458724 986904110 /nfs/dbraw/zinc/90/41/10/986904110.db2.gz QRCKOCDOMKGOQJ-SJKOYZFVSA-N -1 0 339.395 3.543 20 0 EHADRM CCOc1cccc(/C=C\C(=O)OCc2cc(C(=O)[O-])ccc2C)c1 ZINC001597150877 986931707 /nfs/dbraw/zinc/93/17/07/986931707.db2.gz ZPDWOHCIMAHZDQ-NTMALXAHSA-N -1 0 340.375 3.849 20 0 EHADRM C[C@@H]1SCCN(Cc2ncc(C(=O)[O-])s2)[C@@H]1c1ccccc1 ZINC001594664324 986948989 /nfs/dbraw/zinc/94/89/89/986948989.db2.gz LNQVPKXPLJLHJA-NHYWBVRUSA-N -1 0 334.466 3.520 20 0 EHADRM C[C@@H]1c2ccccc2OCCN1C(=O)NCCCCCCCC(=O)[O-] ZINC001594667721 986973007 /nfs/dbraw/zinc/97/30/07/986973007.db2.gz OEQBYIMDBLGSFA-OAHLLOKOSA-N -1 0 348.443 3.577 20 0 EHADRM C/C=C\C[C@H]1CCCN(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)C1 ZINC001594686349 987064934 /nfs/dbraw/zinc/06/49/34/987064934.db2.gz STZGDBHFYGIZNB-ZRMMWKCHSA-N -1 0 334.391 3.663 20 0 EHADRM CC/C(=C/C(=O)N[C@@H](C(=O)[O-])c1ccsc1)c1ccc(C)cc1 ZINC001594690641 987081672 /nfs/dbraw/zinc/08/16/72/987081672.db2.gz GAJCPDFUXYFHDK-OJNOIJSXSA-N -1 0 329.421 3.792 20 0 EHADRM CC/C(=C\C(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-])c1ccc(OC)cc1 ZINC001594690822 987084173 /nfs/dbraw/zinc/08/41/73/987084173.db2.gz JKHKMFMDPLQYMI-BFMLKRJCSA-N -1 0 345.439 3.638 20 0 EHADRM CCC(=O)N(C)c1ccc(N[C@H](C(=O)[O-])c2ccccc2C)cc1 ZINC001594695702 987117502 /nfs/dbraw/zinc/11/75/02/987117502.db2.gz NQEIQQKICZSPRJ-SFHVURJKSA-N -1 0 326.396 3.606 20 0 EHADRM CCC(=O)N(C)c1ccc(N[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC001594696774 987124676 /nfs/dbraw/zinc/12/46/76/987124676.db2.gz ZPXBEKFBUFGDIF-QGZVFWFLSA-N -1 0 346.814 3.951 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NC2(c3ccccc3F)CC2)cc1 ZINC001589511772 987142927 /nfs/dbraw/zinc/14/29/27/987142927.db2.gz CTQAIVCPNJYPBP-GFCCVEGCSA-N -1 0 342.370 3.825 20 0 EHADRM CCC(=O)N1CCc2cc(-c3csc(CCCC(=O)[O-])n3)ccc21 ZINC001594705725 987148883 /nfs/dbraw/zinc/14/88/83/987148883.db2.gz LGRRESIQDYWFKR-UHFFFAOYSA-N -1 0 344.436 3.517 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2ccc(-c3cnn(C)c3)cc2)cc1 ZINC001589521502 987167174 /nfs/dbraw/zinc/16/71/74/987167174.db2.gz QKSVOTHRXNSUOJ-CYBMUJFWSA-N -1 0 349.390 3.528 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cncc(C(F)(F)F)c2)cc1 ZINC001589521671 987168968 /nfs/dbraw/zinc/16/89/68/987168968.db2.gz RRBDJDCMMPPZEG-VIFPVBQESA-N -1 0 338.285 3.541 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NCCC(=O)Nc2cccc(Cl)c2)c1 ZINC001589532629 987216513 /nfs/dbraw/zinc/21/65/13/987216513.db2.gz RXVNCUINVHNIKW-GFCCVEGCSA-N -1 0 346.814 3.969 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC2CCN(C(=O)CC(C)(C)C)CC2)c1 ZINC001589532953 987221085 /nfs/dbraw/zinc/22/10/85/987221085.db2.gz WSTMDRCGIZLMKI-AWEZNQCLSA-N -1 0 346.471 3.714 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)Nc2ccc3c(c2)N(C)CC3)c1 ZINC001589533847 987229522 /nfs/dbraw/zinc/22/95/22/987229522.db2.gz UGIBKTQYQPYVBN-GFCCVEGCSA-N -1 0 339.395 3.511 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001594728695 987236498 /nfs/dbraw/zinc/23/64/98/987236498.db2.gz IYUPLXFJFYIASF-LEWSCRJBSA-N -1 0 345.361 3.815 20 0 EHADRM C[C@@H](C(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F)C(C)(F)F ZINC001589540628 987246191 /nfs/dbraw/zinc/24/61/91/987246191.db2.gz NEVTYZHTOKBVFC-OIBJUYFYSA-N -1 0 340.244 3.823 20 0 EHADRM CCS[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001597258202 987266510 /nfs/dbraw/zinc/26/65/10/987266510.db2.gz HXNSIFFFHXOMIL-CABCVRRESA-N -1 0 336.457 3.879 20 0 EHADRM CC[C@H](C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1)c1c(C)noc1C ZINC001594735104 987266646 /nfs/dbraw/zinc/26/66/46/987266646.db2.gz IAKTUXBVVDWLTA-BONVTDFDSA-N -1 0 330.384 3.612 20 0 EHADRM CCS[C@@H]1CCCC[C@H]1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001597258676 987272154 /nfs/dbraw/zinc/27/21/54/987272154.db2.gz RJZSFUWLOMQSLF-ZIAGYGMSSA-N -1 0 327.490 3.592 20 0 EHADRM CCSCC[C@@H](C)NC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001597259317 987280345 /nfs/dbraw/zinc/28/03/45/987280345.db2.gz PUYBISBUDYCZKZ-MRVPVSSYSA-N -1 0 348.827 3.831 20 0 EHADRM CCSCc1ccc(NC(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC001597265083 987293702 /nfs/dbraw/zinc/29/37/02/987293702.db2.gz GVOCNHABKQOQDQ-UHFFFAOYSA-N -1 0 329.421 3.819 20 0 EHADRM CCSCc1ccc(C(=O)Oc2ccc(CC(=O)[O-])cc2)cc1 ZINC001597265426 987296755 /nfs/dbraw/zinc/29/67/55/987296755.db2.gz UZXBGEDFBIAQRB-UHFFFAOYSA-N -1 0 330.405 3.786 20 0 EHADRM CC(C)(C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])c1ccc(F)cc1 ZINC001589563537 987325744 /nfs/dbraw/zinc/32/57/44/987325744.db2.gz GCKUYYHFNXLSEJ-INIZCTEOSA-N -1 0 335.419 3.643 20 0 EHADRM CCSc1cccc(C(=O)OCC(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001597273679 987330836 /nfs/dbraw/zinc/33/08/36/987330836.db2.gz YHGLTEPBFPUCMI-UHFFFAOYSA-N -1 0 344.388 3.537 20 0 EHADRM CCSc1ccccc1CC(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC001597279042 987338983 /nfs/dbraw/zinc/33/89/83/987338983.db2.gz AMCPSGSUJZZLBX-UHFFFAOYSA-N -1 0 341.432 3.629 20 0 EHADRM CC(C)(C(=O)Nc1ccc(CC(=O)[O-])c(F)c1)c1cccc(F)c1 ZINC001589576756 987356620 /nfs/dbraw/zinc/35/66/20/987356620.db2.gz SDPFSBBBOPCPEH-UHFFFAOYSA-N -1 0 333.334 3.508 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)NCC12CCC(CC1)C2)c1ccccc1 ZINC001589594813 987412370 /nfs/dbraw/zinc/41/23/70/987412370.db2.gz SBQQNUDSQPAMHH-FXUPRZHBSA-N -1 0 344.455 3.718 20 0 EHADRM CC[C@H](C)[C@H](Nc1ncc(C(=O)[O-])cc1Cl)C(=O)OC(C)(C)C ZINC001597324950 987458773 /nfs/dbraw/zinc/45/87/73/987458773.db2.gz XQHFXUDVXFBSNO-CABZTGNLSA-N -1 0 342.823 3.602 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccc(F)cc1 ZINC001597335851 987472406 /nfs/dbraw/zinc/47/24/06/987472406.db2.gz FNRDWCNGKNEXFK-INIZCTEOSA-N -1 0 330.359 3.726 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(c2ncc(F)c(-c3ccsc3)n2)C1 ZINC001589616720 987483852 /nfs/dbraw/zinc/48/38/52/987483852.db2.gz DEQHOPCJILHEJP-LBPRGKRZSA-N -1 0 349.431 3.671 20 0 EHADRM CC(C)(C(=O)[O-])N(Cc1ccccc1)C(=O)c1cccc2c1CCC2 ZINC001589616820 987485927 /nfs/dbraw/zinc/48/59/27/987485927.db2.gz OTOXCIYPBVFSLW-UHFFFAOYSA-N -1 0 337.419 3.681 20 0 EHADRM CCc1[nH]c(C(=O)N(C)[C@@H](C)Cc2ccccc2C)c(C)c1C(=O)[O-] ZINC001597354467 987495932 /nfs/dbraw/zinc/49/59/32/987495932.db2.gz CWENGCVTXYPFDD-ZDUSSCGKSA-N -1 0 342.439 3.595 20 0 EHADRM CCc1[nH]c(C(=O)N(C)Cc2ccc(C(C)C)cc2)c(C)c1C(=O)[O-] ZINC001597355052 987500737 /nfs/dbraw/zinc/50/07/37/987500737.db2.gz ZRUKFNJLYQHFKH-UHFFFAOYSA-N -1 0 342.439 3.979 20 0 EHADRM CCc1[nH]c(C(=O)N[C@@H]2CC(C)(C)c3ccccc32)c(C)c1C(=O)[O-] ZINC001597366495 987537549 /nfs/dbraw/zinc/53/75/49/987537549.db2.gz FORPWINMGYLDGH-OAHLLOKOSA-N -1 0 340.423 3.736 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@H](O)C2CCCCCCC2)cc1 ZINC001589633783 987546760 /nfs/dbraw/zinc/54/67/60/987546760.db2.gz CFFUGGLFIVJUNQ-QGZVFWFLSA-N -1 0 347.455 3.709 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NC[C@@H]2C[C@H]2C2CCC2)cc1 ZINC001589638104 987558577 /nfs/dbraw/zinc/55/85/77/987558577.db2.gz WMLNLCIACZZNOO-BBRMVZONSA-N -1 0 330.428 3.607 20 0 EHADRM CCc1[nH]c(C(=O)Nc2cccc3c(C)nccc23)c(C)c1C(=O)[O-] ZINC001597374218 987561211 /nfs/dbraw/zinc/56/12/11/987561211.db2.gz HWFMSIDSABGNHL-UHFFFAOYSA-N -1 0 337.379 3.693 20 0 EHADRM CCc1[nH]c(C(=O)Nc2ccc3nc(C)sc3c2)c(C)c1C(=O)[O-] ZINC001597374529 987562558 /nfs/dbraw/zinc/56/25/58/987562558.db2.gz RZWKZPMVBADGEQ-UHFFFAOYSA-N -1 0 343.408 3.754 20 0 EHADRM CCc1c2ccccc2oc1C(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001597406484 987682638 /nfs/dbraw/zinc/68/26/38/987682638.db2.gz RCQQLEMQJDYVRX-UHFFFAOYSA-N -1 0 349.386 3.892 20 0 EHADRM CCc1cc(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)ccc1O ZINC001597434018 987777633 /nfs/dbraw/zinc/77/76/33/987777633.db2.gz OQFSXQDEQBYXBL-UHFFFAOYSA-N -1 0 337.734 3.698 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)/C(=C\c1ccccc1)C(F)(F)F ZINC001589700498 987791743 /nfs/dbraw/zinc/79/17/43/987791743.db2.gz MVWCWKYPHKNVFM-SRXBQZRASA-N -1 0 343.345 3.638 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)C(F)(F)c2ccccc2F)s1 ZINC001597440502 987799371 /nfs/dbraw/zinc/79/93/71/987799371.db2.gz FFNLHQJABSPUBG-UHFFFAOYSA-N -1 0 343.326 3.878 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2ncc(Cl)cc2Cl)s1 ZINC001597445477 987817212 /nfs/dbraw/zinc/81/72/12/987817212.db2.gz LSTMHKROPLIURA-UHFFFAOYSA-N -1 0 345.207 3.963 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)CCCOc1ccc(F)cc1 ZINC001597449687 987834823 /nfs/dbraw/zinc/83/48/23/987834823.db2.gz IGVWRYPSBPDELL-UHFFFAOYSA-N -1 0 345.370 3.884 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)Cc1ccccc1C(=O)[O-])c1cccc(F)c1 ZINC001589717457 987867446 /nfs/dbraw/zinc/86/74/46/987867446.db2.gz ZHYDRSMHIVTXNB-SFHVURJKSA-N -1 0 343.398 3.970 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@H]1CCCc2cccnc21 ZINC001597465595 987906731 /nfs/dbraw/zinc/90/67/31/987906731.db2.gz XHPJRNKGTIVCQZ-INIZCTEOSA-N -1 0 339.395 3.541 20 0 EHADRM CC(C)(C)C1CCC(CC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1 ZINC001589726969 987916862 /nfs/dbraw/zinc/91/68/62/987916862.db2.gz UNDAJMTWPUUOLO-WXRRBKDZSA-N -1 0 331.403 3.550 20 0 EHADRM CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001589728214 987929186 /nfs/dbraw/zinc/92/91/86/987929186.db2.gz GHWDXVPPDPSDGT-HOTGVXAUSA-N -1 0 348.443 3.876 20 0 EHADRM CS[C@@H](CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F)C(C)(C)C ZINC001599786453 987930101 /nfs/dbraw/zinc/93/01/01/987930101.db2.gz AVWWKPVOHDTANU-JTQLQIEISA-N -1 0 346.399 3.562 20 0 EHADRM CS[C@H](CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F)C(C)(C)C ZINC001599786454 987930113 /nfs/dbraw/zinc/93/01/13/987930113.db2.gz AVWWKPVOHDTANU-SNVBAGLBSA-N -1 0 346.399 3.562 20 0 EHADRM CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001589729377 987943709 /nfs/dbraw/zinc/94/37/09/987943709.db2.gz XYJRZASXMUSHSF-IDBCUWONSA-N -1 0 335.488 3.990 20 0 EHADRM CC(C)(C)C1CCN(C(=O)Nc2cc(C(=O)[O-])cnc2Cl)CC1 ZINC001589733026 987972443 /nfs/dbraw/zinc/97/24/43/987972443.db2.gz WHTHPKLPESSNAY-UHFFFAOYSA-N -1 0 339.823 3.723 20 0 EHADRM CCc1cc(N[C@H](C)CC(=O)Nc2cccc(C(=O)[O-])c2)ccc1F ZINC001597483391 987986785 /nfs/dbraw/zinc/98/67/85/987986785.db2.gz NJIJMDHSKDFEHM-GFCCVEGCSA-N -1 0 344.386 3.916 20 0 EHADRM CCc1cc2c(ccn(Cc3cccc(C(=O)[O-])c3Cl)c2=O)o1 ZINC001597488768 988001293 /nfs/dbraw/zinc/00/12/93/988001293.db2.gz LRYSOCQFDCURQJ-UHFFFAOYSA-N -1 0 331.755 3.557 20 0 EHADRM CS[C@H]1CCN(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)C1 ZINC001599790799 988004890 /nfs/dbraw/zinc/00/48/90/988004890.db2.gz LVRFZOARSYPSPD-NSHDSACASA-N -1 0 336.438 3.569 20 0 EHADRM CC(C)(C)CC(C)(C)NC(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001589742692 988019180 /nfs/dbraw/zinc/01/91/80/988019180.db2.gz WDURMWICDTUHRK-UHFFFAOYSA-N -1 0 336.432 3.876 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)[C@H](c1ccncc1)C1CCCCC1)C(=O)[O-] ZINC001589743265 988024618 /nfs/dbraw/zinc/02/46/18/988024618.db2.gz IWJYILJQMONTLM-SJORKVTESA-N -1 0 346.471 3.751 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)c1ccc(-c2ccccc2F)o1)C(=O)[O-] ZINC001589751151 988049751 /nfs/dbraw/zinc/04/97/51/988049751.db2.gz KETYVEBQUQWUFP-ZDUSSCGKSA-N -1 0 333.359 3.705 20 0 EHADRM CCc1ccc(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)cc1 ZINC001597502444 988067444 /nfs/dbraw/zinc/06/74/44/988067444.db2.gz BHMILANKAXGCGZ-UHFFFAOYSA-N -1 0 332.425 3.954 20 0 EHADRM CCc1ccc(C(C)(C)c2nc(-c3cc(C(=O)[O-])co3)no2)cc1 ZINC001597511545 988091481 /nfs/dbraw/zinc/09/14/81/988091481.db2.gz CDHNOZIVHAHJJO-UHFFFAOYSA-N -1 0 326.352 3.916 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)c1oc(C2CC2)nc1C(F)F)C(=O)[O-] ZINC001589762037 988096324 /nfs/dbraw/zinc/09/63/24/988096324.db2.gz VYUCUSBQIWUNBX-MRVPVSSYSA-N -1 0 331.315 3.536 20 0 EHADRM CCc1ccc([C@@H](COC)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)o1 ZINC001597513445 988110557 /nfs/dbraw/zinc/11/05/57/988110557.db2.gz UXUHTXISBATUEO-GDBMZVCRSA-N -1 0 337.803 3.598 20 0 EHADRM CSCC[C@@H](OC(=O)[C@H](C)Sc1ccccc1Cl)C(=O)[O-] ZINC001599796985 988112624 /nfs/dbraw/zinc/11/26/24/988112624.db2.gz YBOIGMROGSTFLZ-GXSJLCMTSA-N -1 0 348.873 3.570 20 0 EHADRM CSCCCC(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001599797290 988118236 /nfs/dbraw/zinc/11/82/36/988118236.db2.gz DLQFIVXNPBXFFG-LBPRGKRZSA-N -1 0 336.331 3.675 20 0 EHADRM CSCCCCCCC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001599797456 988120438 /nfs/dbraw/zinc/12/04/38/988120438.db2.gz MJYMSMLYVONNNW-UHFFFAOYSA-N -1 0 331.384 3.915 20 0 EHADRM CCc1ccc([C@@H]2CCCN(C(=O)c3cc(C(=O)[O-])oc3C)C2)cc1 ZINC001597516610 988129066 /nfs/dbraw/zinc/12/90/66/988129066.db2.gz FNYFQEZPOAYBDM-MRXNPFEDSA-N -1 0 341.407 3.868 20 0 EHADRM CSCCCN(C)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001599799131 988146205 /nfs/dbraw/zinc/14/62/05/988146205.db2.gz QNBCJKPFSUHBBR-UHFFFAOYSA-N -1 0 332.425 3.755 20 0 EHADRM CSCCCN(C)C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001599799165 988146249 /nfs/dbraw/zinc/14/62/49/988146249.db2.gz UGAFNUPBLSVGBZ-UHFFFAOYSA-N -1 0 338.454 3.816 20 0 EHADRM CCc1ccc(CC)c(C(=O)COC(=O)c2ccc(C(=O)[O-])s2)c1 ZINC001597521245 988154365 /nfs/dbraw/zinc/15/43/65/988154365.db2.gz KZATVPKXNNFKKV-UHFFFAOYSA-N -1 0 346.404 3.611 20 0 EHADRM CCc1ccc(CCC(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1 ZINC001597523354 988159687 /nfs/dbraw/zinc/15/96/87/988159687.db2.gz ODKYXQZCXRPPFL-FQEVSTJZSA-N -1 0 339.435 3.741 20 0 EHADRM CC(C)(C)Cc1csc(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)n1 ZINC001589788770 988171962 /nfs/dbraw/zinc/17/19/62/988171962.db2.gz DIBKACCWXBXOHF-ALCCZGGFSA-N -1 0 334.397 3.675 20 0 EHADRM CC(C)(C)N(Cc1ccccc1)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001589796602 988196717 /nfs/dbraw/zinc/19/67/17/988196717.db2.gz UVZZIUOIAFWBTQ-UHFFFAOYSA-N -1 0 329.371 3.965 20 0 EHADRM CCc1ccc(NC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1CC ZINC001597547725 988262957 /nfs/dbraw/zinc/26/29/57/988262957.db2.gz NUVVNYAYHFLELH-MRXNPFEDSA-N -1 0 330.428 3.530 20 0 EHADRM CSc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)co1 ZINC001599806772 988268605 /nfs/dbraw/zinc/26/86/05/988268605.db2.gz RVZIQTLJAAGTOB-MRXNPFEDSA-N -1 0 341.388 3.710 20 0 EHADRM CCc1ccc2c(c1)CN(C(=O)Nc1ccc(C)c(C(=O)[O-])c1)CC2 ZINC001597568458 988325881 /nfs/dbraw/zinc/32/58/81/988325881.db2.gz FUUQTHOBIKWNOA-UHFFFAOYSA-N -1 0 338.407 3.846 20 0 EHADRM CCc1ccc2nc(NC(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)sc2c1 ZINC001597570397 988343052 /nfs/dbraw/zinc/34/30/52/988343052.db2.gz HBJNJQGNXPTPDF-HAQNSBGRSA-N -1 0 332.425 3.688 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)Cc1ccc2cccnc2c1 ZINC001597571622 988351596 /nfs/dbraw/zinc/35/15/96/988351596.db2.gz DPYLJHTXQQLUBM-UHFFFAOYSA-N -1 0 334.375 3.677 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)COc1ccc(C)cc1C ZINC001597572969 988356914 /nfs/dbraw/zinc/35/69/14/988356914.db2.gz PHIMFESWTMLNOD-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM CCc1cccc(CC)c1NC(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001597585491 988396015 /nfs/dbraw/zinc/39/60/15/988396015.db2.gz PMLPWNFNTZNVJV-UHFFFAOYSA-N -1 0 340.423 3.760 20 0 EHADRM CCc1cccc(N(C)C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c1 ZINC001597592320 988419064 /nfs/dbraw/zinc/41/90/64/988419064.db2.gz CTZPTJNHIRVCKV-UHFFFAOYSA-N -1 0 334.322 3.894 20 0 EHADRM CSc1ccc(NC(=O)/C=C\c2ccnc(Cl)c2)cc1C(=O)[O-] ZINC001599815946 988424750 /nfs/dbraw/zinc/42/47/50/988424750.db2.gz JQCHCWAGIIMUDW-DJWKRKHSSA-N -1 0 348.811 3.807 20 0 EHADRM CSc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1C(=O)[O-] ZINC001599816242 988429432 /nfs/dbraw/zinc/42/94/32/988429432.db2.gz RQKIFAALFBJMOX-UONOGXRCSA-N -1 0 345.395 3.988 20 0 EHADRM CSc1ccc(NC(=O)N2C[C@@H](C3CC3)[C@H]2C2CC2)cc1C(=O)[O-] ZINC001599816922 988442968 /nfs/dbraw/zinc/44/29/68/988442968.db2.gz PAXDNSTUVGPXST-GOEBONIOSA-N -1 0 346.452 3.759 20 0 EHADRM CSc1ccc(NC(=O)c2ccc3cc(C)cn3c2)cc1C(=O)[O-] ZINC001599817111 988445836 /nfs/dbraw/zinc/44/58/36/988445836.db2.gz GZBHQQPKCGDXSU-UHFFFAOYSA-N -1 0 340.404 3.920 20 0 EHADRM CSc1ccc(NC(=O)c2ccc3[nH]ccc3c2)cc1C(=O)[O-] ZINC001599817723 988456004 /nfs/dbraw/zinc/45/60/04/988456004.db2.gz RVQCOWUYWGSWNM-UHFFFAOYSA-N -1 0 326.377 3.840 20 0 EHADRM CC(C)(C)OC(=O)CCC(=O)Nc1c(C(=O)[O-])ccc2ccccc21 ZINC001589872772 988511723 /nfs/dbraw/zinc/51/17/23/988511723.db2.gz ZSLKEAAKCQGALQ-UHFFFAOYSA-N -1 0 343.379 3.598 20 0 EHADRM CC(C)(C)OC(=O)CCC(=O)Oc1c(C(=O)[O-])ccc2ccccc21 ZINC001589872766 988511836 /nfs/dbraw/zinc/51/18/36/988511836.db2.gz ZLCUSLKRZMPGJD-UHFFFAOYSA-N -1 0 344.363 3.565 20 0 EHADRM CCc1ccccc1OCCC(=O)Nc1scc(C)c1C(=O)[O-] ZINC001597616135 988536277 /nfs/dbraw/zinc/53/62/77/988536277.db2.gz FYNOZZFVJCDTOR-UHFFFAOYSA-N -1 0 333.409 3.725 20 0 EHADRM CSc1ccccc1CC(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC001599823877 988563018 /nfs/dbraw/zinc/56/30/18/988563018.db2.gz JJFXVDXJFGJHJU-UHFFFAOYSA-N -1 0 334.368 3.532 20 0 EHADRM CSc1cccc(NC(=O)NCc2cc(C)c(C(=O)[O-])o2)c1C ZINC001599824876 988580846 /nfs/dbraw/zinc/58/08/46/988580846.db2.gz UZNUYVZXZNSFSW-UHFFFAOYSA-N -1 0 334.397 3.638 20 0 EHADRM CSc1cccc(NC(=O)Nc2cnc(C)c(C(=O)[O-])c2)c1C ZINC001599824860 988580953 /nfs/dbraw/zinc/58/09/53/988580953.db2.gz UDUZAIPDNOGICC-UHFFFAOYSA-N -1 0 331.397 3.763 20 0 EHADRM CCc1nc(C(C)C)ccc1COC(=O)c1c(C)coc1CC(=O)[O-] ZINC001597653181 988702817 /nfs/dbraw/zinc/70/28/17/988702817.db2.gz ZAJISBUQWYJFTI-UHFFFAOYSA-N -1 0 345.395 3.653 20 0 EHADRM CN(C(=O)c1c([O-])cccc1F)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000274813741 1015414971 /nfs/dbraw/zinc/41/49/71/1015414971.db2.gz WCKZXPGKXPCIKN-PBHICJAKSA-N -1 0 347.361 3.663 20 0 EHADRM CCc1nc(NC(=O)/C=C(\C)c2cccc(F)c2)sc1C(=O)[O-] ZINC001597677811 988793403 /nfs/dbraw/zinc/79/34/03/988793403.db2.gz BENBGWROJIQYMR-VQHVLOKHSA-N -1 0 334.372 3.585 20 0 EHADRM CCc1nc(NC(=O)CC[C@H]2CCc3ccccc32)sc1C(=O)[O-] ZINC001597678619 988798805 /nfs/dbraw/zinc/79/88/05/988798805.db2.gz SJSDRKGGXKBNAI-GFCCVEGCSA-N -1 0 344.436 3.852 20 0 EHADRM C[C@@H](NC(=O)c1cncc(C(=O)[O-])c1)c1cc(Cl)ccc1Cl ZINC001599840933 988828311 /nfs/dbraw/zinc/82/83/11/988828311.db2.gz YUIMIZHBFZFSER-MRVPVSSYSA-N -1 0 339.178 3.578 20 0 EHADRM CCc1nc2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])cc2s1 ZINC001597691061 988878638 /nfs/dbraw/zinc/87/86/38/988878638.db2.gz KNVKSPYZIVDBHK-NWDGAFQWSA-N -1 0 332.425 3.688 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)c(F)c1 ZINC000179525320 1015429405 /nfs/dbraw/zinc/42/94/05/1015429405.db2.gz ZTVZGUMTFKNQMC-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM CC(C)(C)OC(=O)N1CCCN(CCCCC(=O)[O-])c2ccccc21 ZINC001590034989 989053813 /nfs/dbraw/zinc/05/38/13/989053813.db2.gz OHQSXORXGPMLOZ-UHFFFAOYSA-N -1 0 348.443 3.893 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)C[C@H]1CC(=O)[O-] ZINC001599859341 989141924 /nfs/dbraw/zinc/14/19/24/989141924.db2.gz HALSJIKDFQJLCJ-RHSMWYFYSA-N -1 0 338.407 3.928 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccccc2OC2CCCCC2)C[C@H]1CC(=O)[O-] ZINC001599863250 989202984 /nfs/dbraw/zinc/20/29/84/989202984.db2.gz IVQOYLOJYQWZFY-HUUCEWRRSA-N -1 0 345.439 3.581 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)c(O)c2C)c1 ZINC000179593422 1015465547 /nfs/dbraw/zinc/46/55/47/1015465547.db2.gz LJWJBCOQYICUTP-UHFFFAOYSA-N -1 0 325.817 3.772 20 0 EHADRM CCc1oc(CNc2ccc(NC(=O)C(C)C)cc2)cc1C(=O)[O-] ZINC001597804883 989408826 /nfs/dbraw/zinc/40/88/26/989408826.db2.gz NHBRVPVULDNYDA-UHFFFAOYSA-N -1 0 330.384 3.747 20 0 EHADRM CCc1oc2ccccc2c1CC(=O)Nc1cc(C(=O)[O-])cs1 ZINC001597807761 989421512 /nfs/dbraw/zinc/42/15/12/989421512.db2.gz JSICTNWJOLGGHV-UHFFFAOYSA-N -1 0 329.377 3.936 20 0 EHADRM CCc1oc2ccccc2c1CC(=O)N(CC(=O)[O-])C1CCCCC1 ZINC001597807797 989421581 /nfs/dbraw/zinc/42/15/81/989421581.db2.gz KWIBQBLFJVYRCO-UHFFFAOYSA-N -1 0 343.423 3.784 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN1Cc1nc(-c2ccccc2Cl)cs1 ZINC001599884586 989533244 /nfs/dbraw/zinc/53/32/44/989533244.db2.gz QZZZYJDNQNRTPT-INIZCTEOSA-N -1 0 336.844 3.903 20 0 EHADRM CCn1c(COc2ccc(C)cc2)nnc1SCCCCC(=O)[O-] ZINC001597853129 989599999 /nfs/dbraw/zinc/59/99/99/989599999.db2.gz AVKGUZONIRYPMJ-UHFFFAOYSA-N -1 0 349.456 3.532 20 0 EHADRM CCn1c(SCC2(C(=O)[O-])CC2)nnc1-c1cccc(Cl)c1 ZINC001597865027 989652302 /nfs/dbraw/zinc/65/23/02/989652302.db2.gz UHPXIOGCOIAEHG-UHFFFAOYSA-N -1 0 337.832 3.575 20 0 EHADRM CCn1ncc(Cl)c1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001597957682 989973644 /nfs/dbraw/zinc/97/36/44/989973644.db2.gz CTAIQUXWAOHOCF-UHFFFAOYSA-N -1 0 349.799 3.722 20 0 EHADRM CC(C)(C)c1cc(C(=O)N[C@@H](C(=O)[O-])C2CC2)c(O)c(C(C)(C)C)c1 ZINC001590454128 990020544 /nfs/dbraw/zinc/02/05/44/990020544.db2.gz MORVJYNSECGNPU-OAHLLOKOSA-N -1 0 347.455 3.580 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N(CCc2ccccc2)CC(=O)[O-])cc1 ZINC001590471884 990041722 /nfs/dbraw/zinc/04/17/22/990041722.db2.gz BJYPSPXGVKFUMD-UHFFFAOYSA-N -1 0 339.435 3.754 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N[C@](C)(CC(=O)[O-])c2cccnc2)s1 ZINC001590475749 990051203 /nfs/dbraw/zinc/05/12/03/990051203.db2.gz UVHKXHFWTRYYDM-GOSISDBHSA-N -1 0 346.452 3.561 20 0 EHADRM CC(C)(C)c1ccc(CC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001590479691 990055221 /nfs/dbraw/zinc/05/52/21/990055221.db2.gz GXQJUSGNIJYVBE-GOSISDBHSA-N -1 0 331.456 3.676 20 0 EHADRM CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)nc1 ZINC001590481622 990075603 /nfs/dbraw/zinc/07/56/03/990075603.db2.gz LBMLYGBMEIOTIM-UHFFFAOYSA-N -1 0 332.787 3.983 20 0 EHADRM CC(C)(C)c1ccc(CCCCC(=O)N[C@@H](CCF)C(=O)[O-])cc1 ZINC001590484889 990080174 /nfs/dbraw/zinc/08/01/74/990080174.db2.gz HXAMRVJAXUWYGX-INIZCTEOSA-N -1 0 337.435 3.626 20 0 EHADRM CN(C(=O)[C@@H](c1ccncc1)C1CCCCC1)C1(C(=O)[O-])CCCC1 ZINC001597991526 990094721 /nfs/dbraw/zinc/09/47/21/990094721.db2.gz OTJADKUAJWPOPG-QGZVFWFLSA-N -1 0 344.455 3.601 20 0 EHADRM CC(C)(C)c1ccc(OCCCOc2cccnc2C(=O)[O-])cc1 ZINC001590498211 990106359 /nfs/dbraw/zinc/10/63/59/990106359.db2.gz QZORLRFJTLGGEB-UHFFFAOYSA-N -1 0 329.396 3.925 20 0 EHADRM CC(C)(C)c1cnc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)o1 ZINC001590515993 990134013 /nfs/dbraw/zinc/13/40/13/990134013.db2.gz UTPBNJNNCBBNJW-CQSZACIVSA-N -1 0 340.782 3.680 20 0 EHADRM CC(C)(C)c1cnc(SCc2nc3cc(C(=O)[O-])ccc3[nH]2)o1 ZINC001590526644 990136938 /nfs/dbraw/zinc/13/69/38/990136938.db2.gz HGXXQKLFQTUFLE-UHFFFAOYSA-N -1 0 331.397 3.839 20 0 EHADRM CC(C)(C)c1nc(NC(=O)[C@H]2CCCCC2(F)F)sc1C(=O)[O-] ZINC001590541636 990166154 /nfs/dbraw/zinc/16/61/54/990166154.db2.gz CURXVDCEHNJGFQ-MRVPVSSYSA-N -1 0 346.399 3.903 20 0 EHADRM CC(C)(C)c1nc(C[S@](=O)C[C@@H]2CCCC[C@@H]2C(=O)[O-])cs1 ZINC001590542463 990172876 /nfs/dbraw/zinc/17/28/76/990172876.db2.gz WHEYICVROAYNCL-OKNBYCPDSA-N -1 0 343.514 3.580 20 0 EHADRM CC(C)(C)c1nc(COC(=O)c2ccc(C(=O)[O-])c(F)c2)cs1 ZINC001590542560 990174135 /nfs/dbraw/zinc/17/41/35/990174135.db2.gz ZWYOMUUHFNPWET-UHFFFAOYSA-N -1 0 337.372 3.635 20 0 EHADRM CC(C)(C)c1nc(NC(=O)C[C@H]2CCC(F)(F)C2)sc1C(=O)[O-] ZINC001590545666 990184539 /nfs/dbraw/zinc/18/45/39/990184539.db2.gz ZUZSLKXMTZGKFB-MRVPVSSYSA-N -1 0 346.399 3.903 20 0 EHADRM CC(C)(C)n1ccc(C(=O)Nc2c(C(=O)[O-])ccc3ccccc32)n1 ZINC001590599908 990256472 /nfs/dbraw/zinc/25/64/72/990256472.db2.gz WGBOWRYNYUHXJX-UHFFFAOYSA-N -1 0 337.379 3.742 20 0 EHADRM CC(C)(C)n1ncnc1CNc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001590605197 990272076 /nfs/dbraw/zinc/27/20/76/990272076.db2.gz RKKGLSCZYJZTCR-UHFFFAOYSA-N -1 0 343.214 3.650 20 0 EHADRM CN(C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])C1CC(C)(C)C1 ZINC001598049136 990292915 /nfs/dbraw/zinc/29/29/15/990292915.db2.gz HXYQWIFHMHXJNJ-OAHLLOKOSA-N -1 0 332.444 3.669 20 0 EHADRM CC(C)(CC(=O)N[C@@](C)(C(=O)[O-])C1CC1)Cc1ccc(Cl)cc1 ZINC001590621113 990299960 /nfs/dbraw/zinc/29/99/60/990299960.db2.gz UIJQNSUWLWNWBY-GOSISDBHSA-N -1 0 337.847 3.668 20 0 EHADRM CC(C)(CC(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1)C(F)(F)F ZINC001590621985 990305753 /nfs/dbraw/zinc/30/57/53/990305753.db2.gz YZBDHOUVXNNYQO-UHFFFAOYSA-N -1 0 336.335 3.636 20 0 EHADRM CN(C(=O)Nc1ccc(CC(=O)[O-])c(F)c1)c1cccc2cc[nH]c21 ZINC001598057185 990323430 /nfs/dbraw/zinc/32/34/30/990323430.db2.gz RYYCEOYLRIDRGM-UHFFFAOYSA-N -1 0 341.342 3.602 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1nc2c(cccc2Cl)s1 ZINC001590636738 990325135 /nfs/dbraw/zinc/32/51/35/990325135.db2.gz FDGQFSXORWYPJG-UHFFFAOYSA-N -1 0 326.805 3.779 20 0 EHADRM CC(C)(CC1CCCCCC1)NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001590653699 990343238 /nfs/dbraw/zinc/34/32/38/990343238.db2.gz DSTREXWJTDGCRC-JKSUJKDBSA-N -1 0 339.476 3.512 20 0 EHADRM CN(C(=O)OC(C)(C)C)c1ccc(N[C@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC001598066470 990350992 /nfs/dbraw/zinc/35/09/92/990350992.db2.gz GHJMHUUVPOZMSW-JSGCOSHPSA-N -1 0 334.416 3.723 20 0 EHADRM CC(C)(CCc1ccccc1)NC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001590694453 990412706 /nfs/dbraw/zinc/41/27/06/990412706.db2.gz OERCSWXKPLXKLS-UHFFFAOYSA-N -1 0 346.452 3.657 20 0 EHADRM CN(C(=O)c1ccc(Cn2cccc2)cc1)c1ccccc1C(=O)[O-] ZINC001598085912 990416458 /nfs/dbraw/zinc/41/64/58/990416458.db2.gz UMTYTROFRDGMLB-UHFFFAOYSA-N -1 0 334.375 3.511 20 0 EHADRM CN(C(=O)c1cccc(OC(C)(C)C)c1)c1ccccc1C(=O)[O-] ZINC001598091914 990435953 /nfs/dbraw/zinc/43/59/53/990435953.db2.gz RZMYTRAKRPGGSU-UHFFFAOYSA-N -1 0 327.380 3.839 20 0 EHADRM CN(C(=O)c1ccnc2cc(Cl)ccc21)c1ccccc1C(=O)[O-] ZINC001598094135 990445736 /nfs/dbraw/zinc/44/57/36/990445736.db2.gz QGWHPEBULXUYNQ-UHFFFAOYSA-N -1 0 340.766 3.863 20 0 EHADRM CC(C)(CNC(=O)CC1(CC(=O)[O-])CCCC1)c1ccccc1F ZINC001590708443 990460558 /nfs/dbraw/zinc/46/05/58/990460558.db2.gz HGCOVUBAGOKXRV-UHFFFAOYSA-N -1 0 335.419 3.645 20 0 EHADRM CC(C)(CNC(=O)N1CC2(CCCC2)c2c1cccc2F)CC(=O)[O-] ZINC001590716031 990472857 /nfs/dbraw/zinc/47/28/57/990472857.db2.gz IZKVRPFJYQUURP-UHFFFAOYSA-N -1 0 348.418 3.668 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)CC(F)F ZINC001590738152 990530560 /nfs/dbraw/zinc/53/05/60/990530560.db2.gz CDODPKOHELIHOR-QWHCGFSZSA-N -1 0 340.370 3.678 20 0 EHADRM CC(C)(NC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1F ZINC001590854685 990735443 /nfs/dbraw/zinc/73/54/43/990735443.db2.gz FSQRNRUHVVSFPE-UHFFFAOYSA-N -1 0 334.322 3.720 20 0 EHADRM CC(C)(NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccccc1F ZINC001590854824 990737052 /nfs/dbraw/zinc/73/70/52/990737052.db2.gz KWMJIRKVUZRRCN-UHFFFAOYSA-N -1 0 334.322 3.720 20 0 EHADRM CC1(C)CC[C@H](CNC(=O)c2cc(Cl)c3ccccc3c2[O-])O1 ZINC001625811595 1015586827 /nfs/dbraw/zinc/58/68/27/1015586827.db2.gz MKDWLWYVMWDALI-LLVKDONJSA-N -1 0 333.815 3.886 20 0 EHADRM CC(C)(NCc1cc2ccccc2c(Cl)n1)c1cc(C(=O)[O-])on1 ZINC001590871278 990776823 /nfs/dbraw/zinc/77/68/23/990776823.db2.gz LLRYLOYOFKPESC-UHFFFAOYSA-N -1 0 345.786 3.599 20 0 EHADRM CC(C)(NCc1cccc(CC2CCC2)c1)c1cc(C(=O)[O-])on1 ZINC001590872735 990781834 /nfs/dbraw/zinc/78/18/34/990781834.db2.gz PBTKOQOMLXYCCS-UHFFFAOYSA-N -1 0 328.412 3.740 20 0 EHADRM CC(C)(NCc1nc(C(=O)[O-])cs1)c1ccc(C(F)(F)F)cc1 ZINC001590874625 990785180 /nfs/dbraw/zinc/78/51/80/990785180.db2.gz JGDUMBILCBWHFY-UHFFFAOYSA-N -1 0 344.358 3.885 20 0 EHADRM CC(C)(c1ccc(C(=O)OC2CC(CC(=O)[O-])C2)cc1)C(F)(F)F ZINC001590907150 990872563 /nfs/dbraw/zinc/87/25/63/990872563.db2.gz NXCWZDKLVSTQSZ-UHFFFAOYSA-N -1 0 344.329 3.937 20 0 EHADRM CC(C)(c1ccc(NC(=S)NCCCC(=O)[O-])cc1)C(F)(F)F ZINC001590908550 990876341 /nfs/dbraw/zinc/87/63/41/990876341.db2.gz HJCKNKDAJRJNDT-UHFFFAOYSA-N -1 0 348.390 3.678 20 0 EHADRM CC(C)=C[C@H]1[C@H](C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)C1(C)C ZINC001590915574 990904401 /nfs/dbraw/zinc/90/44/01/990904401.db2.gz XDTSFHLSKYDFQI-WDEREUQCSA-N -1 0 334.441 3.896 20 0 EHADRM CC(C)=CCC[C@H](C)NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001590921739 990913647 /nfs/dbraw/zinc/91/36/47/990913647.db2.gz JLURDWCXEBTKSD-ZDUSSCGKSA-N -1 0 328.412 3.660 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)NCC2(C(=O)[O-])CCCCC2)c1 ZINC001590924223 990920844 /nfs/dbraw/zinc/92/08/44/990920844.db2.gz CXLREBKVQFIUMO-UHFFFAOYSA-N -1 0 345.439 3.797 20 0 EHADRM COc1cccc(SCCOc2ccccc2[C@H](OC)C(=O)[O-])c1 ZINC001599684237 990961333 /nfs/dbraw/zinc/96/13/33/990961333.db2.gz RMSOZOUYQVISQA-KRWDZBQOSA-N -1 0 348.420 3.638 20 0 EHADRM CC(C)C(=O)c1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1 ZINC001590949066 991005260 /nfs/dbraw/zinc/00/52/60/991005260.db2.gz JEBHJFWFWYQETQ-UHFFFAOYSA-N -1 0 343.423 3.889 20 0 EHADRM CC(C)[C@@H](NC(=O)Nc1cccc(COC2CCCCC2)c1)C(=O)[O-] ZINC000579871239 1015603329 /nfs/dbraw/zinc/60/33/29/1015603329.db2.gz XTIXISNCTJWDCK-QGZVFWFLSA-N -1 0 348.443 3.767 20 0 EHADRM COc1cccc2c1[C@@H](C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1)CC2 ZINC001599689394 991042363 /nfs/dbraw/zinc/04/23/63/991042363.db2.gz GUZZCCBYPXRTOA-ZDUSSCGKSA-N -1 0 346.766 3.682 20 0 EHADRM CC(C)[C@H](C(=O)Nc1cc(C(=O)[O-])cnc1Cl)c1ccccc1 ZINC001590957891 991045099 /nfs/dbraw/zinc/04/50/99/991045099.db2.gz XVDHZJKULMLUHV-AWEZNQCLSA-N -1 0 332.787 3.812 20 0 EHADRM CC(C)[C@@H](C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1)c1cccnc1 ZINC001590960336 991050440 /nfs/dbraw/zinc/05/04/40/991050440.db2.gz AZGYMHNNLGAOBR-OAHLLOKOSA-N -1 0 333.771 3.778 20 0 EHADRM COc1cccc2c1CC[C@@H](Nc1cccc([C@H](C)C(=O)[O-])c1)C2 ZINC001599690102 991055124 /nfs/dbraw/zinc/05/51/24/991055124.db2.gz SYZAYQHTDSBULS-SUMWQHHRSA-N -1 0 325.408 3.853 20 0 EHADRM CC(C)[C@H](C)N(c1ccccc1)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001590974505 991111984 /nfs/dbraw/zinc/11/19/84/991111984.db2.gz PRBLJEUJGJTNOC-AWEZNQCLSA-N -1 0 347.436 3.625 20 0 EHADRM CC(C)[C@H](CC(=O)OCc1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC001590975376 991117527 /nfs/dbraw/zinc/11/75/27/991117527.db2.gz AZMVFMWFZWWOCZ-KRWDZBQOSA-N -1 0 327.380 3.653 20 0 EHADRM CC(C)[C@@H](CC(=O)N(CCC(F)(F)F)CC(=O)[O-])c1ccccc1 ZINC001590976598 991126097 /nfs/dbraw/zinc/12/60/97/991126097.db2.gz TYXZRDNZDROEKD-CQSZACIVSA-N -1 0 345.361 3.682 20 0 EHADRM CC(C)[C@@H](CCc1ccccc1)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001590980520 991133120 /nfs/dbraw/zinc/13/31/20/991133120.db2.gz GTVFEEKADMWEEW-QGZVFWFLSA-N -1 0 326.396 3.623 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)O[C@H](C)c1cc(C(=O)[O-])co1 ZINC001599696755 991160109 /nfs/dbraw/zinc/16/01/09/991160109.db2.gz ARAPWMMCRJZLKX-NWDGAFQWSA-N -1 0 332.352 3.784 20 0 EHADRM CN(C)c1c(F)c(F)ccc1CNc1ccc(Cl)c(C(=O)[O-])c1 ZINC001598283663 991176561 /nfs/dbraw/zinc/17/65/61/991176561.db2.gz ORQWXMYSAWEDND-UHFFFAOYSA-N -1 0 340.757 3.995 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)N1CCCCCCCC1 ZINC001598295391 991224585 /nfs/dbraw/zinc/22/45/85/991224585.db2.gz VOHFTEONMHFJFR-UHFFFAOYSA-N -1 0 333.432 3.639 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)Nc1cccc2[nH]ccc21 ZINC001598300121 991241833 /nfs/dbraw/zinc/24/18/33/991241833.db2.gz FIXNPPBRWHGWDK-UHFFFAOYSA-N -1 0 338.367 3.576 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)c1cc2ccccc2s1 ZINC001598300721 991247758 /nfs/dbraw/zinc/24/77/58/991247758.db2.gz YPDLTGRCGIXTKI-UHFFFAOYSA-N -1 0 340.404 3.918 20 0 EHADRM CN(C)c1ccc(C(=O)Oc2cccc3c(CC(=O)[O-])cccc23)cc1 ZINC001598313276 991287707 /nfs/dbraw/zinc/28/77/07/991287707.db2.gz HFIOYDXTCOSZQO-UHFFFAOYSA-N -1 0 349.386 3.752 20 0 EHADRM CC(C)C(NC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1)C(C)C ZINC001591014669 991292809 /nfs/dbraw/zinc/29/28/09/991292809.db2.gz ODVDPHGXGJOHHJ-UHFFFAOYSA-N -1 0 330.787 3.979 20 0 EHADRM CN(C)c1ccc(OC(=O)c2ccccc2C(C)(C)C)cc1C(=O)[O-] ZINC001598328050 991346931 /nfs/dbraw/zinc/34/69/31/991346931.db2.gz CMKSXMIYPFZRJE-UHFFFAOYSA-N -1 0 341.407 3.968 20 0 EHADRM CN(C)c1ccc(OC(=O)c2ccsc2C(F)F)cc1C(=O)[O-] ZINC001598328629 991353894 /nfs/dbraw/zinc/35/38/94/991353894.db2.gz VYWMXZQVLBBFLW-UHFFFAOYSA-N -1 0 341.335 3.669 20 0 EHADRM CC(C)[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC001591082673 991599262 /nfs/dbraw/zinc/59/92/62/991599262.db2.gz WDWDEZHVQSEQIM-NVXWUHKLSA-N -1 0 332.444 3.789 20 0 EHADRM CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1csc(C(=O)[O-])n1 ZINC001591094430 991672702 /nfs/dbraw/zinc/67/27/02/991672702.db2.gz LBFLGVJHINMSFG-IUODEOHRSA-N -1 0 344.436 3.531 20 0 EHADRM CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1ccc(C(=O)[O-])o1 ZINC001591095586 991682511 /nfs/dbraw/zinc/68/25/11/991682511.db2.gz XIIJEMUODPBKQR-SUMWQHHRSA-N -1 0 327.380 3.667 20 0 EHADRM CC(C)[C@H]1N(C(=O)Nc2ccc(CC(=O)[O-])cc2)CC12CCCC2 ZINC001591100411 991724079 /nfs/dbraw/zinc/72/40/79/991724079.db2.gz YBUCUMQPJUFHAJ-QGZVFWFLSA-N -1 0 330.428 3.746 20 0 EHADRM CC(C)[C@@H]1c2ccccc2CCN1C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001591105439 991733726 /nfs/dbraw/zinc/73/37/26/991733726.db2.gz TVMQKTAHIFAQAT-QGZVFWFLSA-N -1 0 339.395 3.567 20 0 EHADRM CC(C)C[C@H](C)n1nccc1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC001591138630 991860068 /nfs/dbraw/zinc/86/00/68/991860068.db2.gz PIJRICAFFHZWKH-NSHDSACASA-N -1 0 333.363 3.580 20 0 EHADRM CN(CC1(c2ccccc2)CC1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001598443913 991874296 /nfs/dbraw/zinc/87/42/96/991874296.db2.gz MFAAMPNVYWDAOT-UHFFFAOYSA-N -1 0 342.370 3.719 20 0 EHADRM CC(C)C[C@@H](CNC(=O)CCCc1ccc(C2CC2)cc1)C(=O)[O-] ZINC001591149313 991890785 /nfs/dbraw/zinc/89/07/85/991890785.db2.gz WFRLVIRDJUZONY-SFHVURJKSA-N -1 0 331.456 3.750 20 0 EHADRM CC(C)C[C@H](OC(=O)c1cccc(CC(=O)[O-])c1)c1ccccn1 ZINC001591190933 991998150 /nfs/dbraw/zinc/99/81/50/991998150.db2.gz GGWJPQZZTKLPAY-KRWDZBQOSA-N -1 0 327.380 3.653 20 0 EHADRM CC(C)CC1(C(=O)Nc2nc3c(cccc3C(=O)[O-])[nH]2)CCCC1 ZINC001591191749 992004398 /nfs/dbraw/zinc/00/43/98/992004398.db2.gz FIVUDAFHVBDOTP-UHFFFAOYSA-N -1 0 329.400 3.806 20 0 EHADRM CC(C)CC1(C(=O)N2CCOc3cc(C(=O)[O-])ccc3C2)CCCC1 ZINC001591192000 992006615 /nfs/dbraw/zinc/00/66/15/992006615.db2.gz KBECDHARFSARHP-UHFFFAOYSA-N -1 0 345.439 3.712 20 0 EHADRM CC(C)C[C@H]1C[C@H](Nc2cc(C(F)(F)F)c(C(=O)[O-])cn2)CCO1 ZINC001591205531 992029974 /nfs/dbraw/zinc/02/99/74/992029974.db2.gz JNSQJMIXVHAFMM-MNOVXSKESA-N -1 0 346.349 3.804 20 0 EHADRM CC(C)C[C@@H]1CCCCN1C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001591206497 992034862 /nfs/dbraw/zinc/03/48/62/992034862.db2.gz UWXKGTSNXGGEJE-HNNXBMFYSA-N -1 0 342.439 3.767 20 0 EHADRM CC(C)CC[C@@H](NC(=O)NCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC001591221664 992088038 /nfs/dbraw/zinc/08/80/38/992088038.db2.gz MEBULKFAFSEJAU-OAHLLOKOSA-N -1 0 340.851 3.981 20 0 EHADRM COCc1ncsc1C(=O)Nc1cc(Cl)ccc1SC ZINC000339803296 1015683242 /nfs/dbraw/zinc/68/32/42/1015683242.db2.gz ITNRMJUTOCNMFV-UHFFFAOYSA-N -1 0 328.846 3.917 20 0 EHADRM CC(C)CCC[C@H](C)NC(=O)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001591229060 992109201 /nfs/dbraw/zinc/10/92/01/992109201.db2.gz MKTFWYAHDSUTCI-AWEZNQCLSA-N -1 0 348.443 3.504 20 0 EHADRM CC(C)CCO[C@@H](C)C(=O)N1CCCCc2cc(C(=O)[O-])ccc21 ZINC001591252413 992152788 /nfs/dbraw/zinc/15/27/88/992152788.db2.gz ZCZPAITZDQEVAR-AWEZNQCLSA-N -1 0 333.428 3.505 20 0 EHADRM CC(C)CCc1ccccc1NC(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001591269468 992184859 /nfs/dbraw/zinc/18/48/59/992184859.db2.gz AHJPMBIQBIVHGK-UHFFFAOYSA-N -1 0 326.396 3.550 20 0 EHADRM CC(C)CN(C(=O)[C@H]1CCSc2ccccc21)C(C)(C)C(=O)[O-] ZINC001591281594 992216657 /nfs/dbraw/zinc/21/66/57/992216657.db2.gz UMBCRGPZKUABAY-AWEZNQCLSA-N -1 0 335.469 3.614 20 0 EHADRM CC(C)CN(C(=O)c1cc(F)cc(C(F)(F)F)c1)C(C)(C)C(=O)[O-] ZINC001591285643 992226024 /nfs/dbraw/zinc/22/60/24/992226024.db2.gz ZMXOAFHASYFIAG-UHFFFAOYSA-N -1 0 349.324 3.806 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC001591298179 992248005 /nfs/dbraw/zinc/24/80/05/992248005.db2.gz SPPHMKCRQZXMDS-UHFFFAOYSA-N -1 0 343.448 3.697 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1ccc(OC2CCC2)cc1 ZINC001591313314 992276573 /nfs/dbraw/zinc/27/65/73/992276573.db2.gz VNASYNLYWDKYHT-UHFFFAOYSA-N -1 0 347.455 3.827 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])c1cc(Cl)nc(C2CC2)n1 ZINC001591313626 992277803 /nfs/dbraw/zinc/27/78/03/992277803.db2.gz DESONFOQPANKRN-UHFFFAOYSA-N -1 0 325.840 3.581 20 0 EHADRM CC(C)CN(CCC(=O)[O-])c1ncnc2sc3c(c21)CCCC3 ZINC001591339853 992318790 /nfs/dbraw/zinc/31/87/90/992318790.db2.gz ZQNIJPWIFHJXJZ-UHFFFAOYSA-N -1 0 333.457 3.507 20 0 EHADRM CC(C)CN(CCc1ccccc1)C(=O)c1ccc(C(=O)[O-])s1 ZINC001591343054 992322716 /nfs/dbraw/zinc/32/27/16/992322716.db2.gz PEGNABXMYUHLMH-UHFFFAOYSA-N -1 0 331.437 3.787 20 0 EHADRM CS[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC001599783119 992391249 /nfs/dbraw/zinc/39/12/49/992391249.db2.gz CZQGBPMOUKKLHA-GUYCJALGSA-N -1 0 343.448 3.737 20 0 EHADRM CN(CCOc1ccc(/C=C/C(=O)[O-])cc1)Cc1c(F)cccc1F ZINC001598498577 992396962 /nfs/dbraw/zinc/39/69/62/992396962.db2.gz BJVAKBGMAFZLCG-JXMROGBWSA-N -1 0 347.361 3.573 20 0 EHADRM CN(CCOc1ccc(/C=C/C(=O)[O-])cc1)c1cccc2cccnc21 ZINC001598498871 992402523 /nfs/dbraw/zinc/40/25/23/992402523.db2.gz UFSBVRNIDTYJKW-FMIVXFBMSA-N -1 0 348.402 3.848 20 0 EHADRM CN(Cc1c(F)cccc1Cl)c1nc(Cl)c(C(=O)[O-])s1 ZINC001598505828 992501318 /nfs/dbraw/zinc/50/13/18/992501318.db2.gz NYYLJWXPRXXPNQ-UHFFFAOYSA-N -1 0 335.187 3.924 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1cc(Cl)c(F)cc1Cl ZINC001591423327 992508822 /nfs/dbraw/zinc/50/88/22/992508822.db2.gz AOEIMDIHGVYMMZ-LBPRGKRZSA-N -1 0 336.190 3.704 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)CCc1cccc(C(F)(F)F)c1 ZINC001591423631 992511718 /nfs/dbraw/zinc/51/17/18/992511718.db2.gz MYVAPRIEOIKUBT-AWEZNQCLSA-N -1 0 345.361 3.596 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)Nc2cccc(C(=O)[O-])c2N)c1 ZINC001591488975 992618961 /nfs/dbraw/zinc/61/89/61/992618961.db2.gz LURYMAAPKFBMEH-ZDUSSCGKSA-N -1 0 340.423 3.908 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)N[C@H](CC(C)(C)C)C(=O)[O-])c1 ZINC001591489357 992619737 /nfs/dbraw/zinc/61/97/37/992619737.db2.gz QMDMZBTVOARJAP-WMLDXEAASA-N -1 0 333.472 3.994 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)N[C@](C)(CC(=O)[O-])C2CC2)c1 ZINC001591489361 992619860 /nfs/dbraw/zinc/61/98/60/992619860.db2.gz QPIRCZZQKQLGII-JLTOFOAXSA-N -1 0 331.456 3.748 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)OCc2nc(C(=O)[O-])cs2)cc1 ZINC001591489379 992620679 /nfs/dbraw/zinc/62/06/79/992620679.db2.gz QWSZHTYSDORRBO-LBPRGKRZSA-N -1 0 347.436 3.887 20 0 EHADRM CC(C)Cc1nc(C(=O)OC[C@](C)(C(=O)[O-])c2ccccc2)cs1 ZINC001591496574 992628329 /nfs/dbraw/zinc/62/83/29/992628329.db2.gz BDFAOUOEHSNUOY-SFHVURJKSA-N -1 0 347.436 3.541 20 0 EHADRM CC(C)Cc1ncc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)s1 ZINC001591496639 992629189 /nfs/dbraw/zinc/62/91/89/992629189.db2.gz GNZGJHXRMWUQAH-UHFFFAOYSA-N -1 0 338.816 3.946 20 0 EHADRM CN(Cc1ccc(Cl)c(F)c1)C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001598517989 992641450 /nfs/dbraw/zinc/64/14/50/992641450.db2.gz NKJLGZMLSPTYAP-UHFFFAOYSA-N -1 0 339.725 3.589 20 0 EHADRM CC(C)N(C(=O)c1cc(C(=O)[O-])on1)c1ccc(Cl)c(Cl)c1 ZINC001591542057 992720878 /nfs/dbraw/zinc/72/08/78/992720878.db2.gz CARQIYLGFCVYHL-UHFFFAOYSA-N -1 0 343.166 3.735 20 0 EHADRM CN(Cc1cccc(OC2CC2)c1F)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598526391 992725885 /nfs/dbraw/zinc/72/58/85/992725885.db2.gz DNUNFLWPEJGCMC-GOSISDBHSA-N -1 0 329.371 3.625 20 0 EHADRM CN(Cc1ncc(C(=O)[O-])s1)Cc1c(Cl)cccc1Cl ZINC001598538482 992869708 /nfs/dbraw/zinc/86/97/08/992869708.db2.gz SFQSFRYCAQHEDC-UHFFFAOYSA-N -1 0 331.224 3.780 20 0 EHADRM CN(c1ccccc1)c1ccccc1C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001598545347 992939225 /nfs/dbraw/zinc/93/92/25/992939225.db2.gz ZYGNNCVVZXQAKK-UHFFFAOYSA-N -1 0 347.374 3.800 20 0 EHADRM COc1ccc(NC(=O)/C=C\Sc2ccccc2)c(C(=O)[O-])c1 ZINC001599590652 993677518 /nfs/dbraw/zinc/67/75/18/993677518.db2.gz RIKOPCPNRCCNHN-KTKRTIGZSA-N -1 0 329.377 3.638 20 0 EHADRM C[C@@H](NC(=O)NCC1(C)CCCCCC1)c1ncc(C(=O)[O-])s1 ZINC001593089361 993705586 /nfs/dbraw/zinc/70/55/86/993705586.db2.gz UDNMSQXYOLCIKP-LLVKDONJSA-N -1 0 339.461 3.562 20 0 EHADRM COc1ccc(NC(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c(OC)c1 ZINC001599593374 993716834 /nfs/dbraw/zinc/71/68/34/993716834.db2.gz NIICVARLWFYBRS-LLVKDONJSA-N -1 0 344.367 3.536 20 0 EHADRM C[C@@H](NC(=O)N[C@@H](C)C1CCCCCC1)c1ncc(C(=O)[O-])s1 ZINC001593102734 993747478 /nfs/dbraw/zinc/74/74/78/993747478.db2.gz WGSYVGXSCUBDOF-WDEREUQCSA-N -1 0 339.461 3.560 20 0 EHADRM COc1ccc(N[C@@H]2CCCc3ccc(C(=O)[O-])cc32)cc1OC ZINC001599596880 993759740 /nfs/dbraw/zinc/75/97/40/993759740.db2.gz COUSZYKAIWXTGL-MRXNPFEDSA-N -1 0 327.380 3.892 20 0 EHADRM C[C@@H](NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1cc2ccccc2s1 ZINC001593108764 993766916 /nfs/dbraw/zinc/76/69/16/993766916.db2.gz NIQTVPQLKSDDJN-RTXFEEFZSA-N -1 0 332.425 3.515 20 0 EHADRM C[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccc1F)c1c(F)cccc1F ZINC001593109509 993774437 /nfs/dbraw/zinc/77/44/37/993774437.db2.gz NAFJZKYCEOLPMT-MRVPVSSYSA-N -1 0 338.285 3.685 20 0 EHADRM COc1ccc(OCCS[C@H](Cc2ccc(C)cc2)C(=O)[O-])cc1 ZINC001599607075 993900696 /nfs/dbraw/zinc/90/06/96/993900696.db2.gz VHHRMMGUMYCEPC-GOSISDBHSA-N -1 0 346.448 3.812 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC001599620102 994069019 /nfs/dbraw/zinc/06/90/19/994069019.db2.gz CNCXQCCQNMJMFM-AAEUAGOBSA-N -1 0 331.393 3.587 20 0 EHADRM COc1ccc2c(CC(=O)O[C@@H](C)c3cc(C(=O)[O-])co3)coc2c1 ZINC001599625479 994142482 /nfs/dbraw/zinc/14/24/82/994142482.db2.gz ITJRMWSEZCHAFJ-JTQLQIEISA-N -1 0 344.319 3.580 20 0 EHADRM C[C@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)c1ccc(C(=O)[O-])o1 ZINC001593199665 994179876 /nfs/dbraw/zinc/17/98/76/994179876.db2.gz YCAHBHUJGUEHLS-STQMWFEESA-N -1 0 342.395 3.516 20 0 EHADRM O=C([O-])CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000238042988 1015840246 /nfs/dbraw/zinc/84/02/46/1015840246.db2.gz IQHREUVIHRHSAE-VXGBXAGGSA-N -1 0 342.222 3.563 20 0 EHADRM O=C([O-])CCN(C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)C1CC1 ZINC000238043878 1015840400 /nfs/dbraw/zinc/84/04/00/1015840400.db2.gz PAWUWPOXLUGIMN-UONOGXRCSA-N -1 0 342.222 3.563 20 0 EHADRM C[C@@H](N[C@@H](CCc1ccccc1)C(F)F)c1cncc(C(=O)[O-])c1 ZINC001593207075 994213018 /nfs/dbraw/zinc/21/30/18/994213018.db2.gz AKHGBXBLUKNCKS-WBMJQRKESA-N -1 0 334.366 3.697 20 0 EHADRM C[C@H](N[C@@H]1CCCOc2c(F)cccc21)c1ncc(C(=O)[O-])s1 ZINC001593221202 994321933 /nfs/dbraw/zinc/32/19/33/994321933.db2.gz YGRWKXOXIWVJCE-JOYOIKCWSA-N -1 0 336.388 3.545 20 0 EHADRM COc1ccc2sc(C(=O)Nc3cccnc3C(=O)[O-])c(C)c2c1 ZINC001599638450 994322933 /nfs/dbraw/zinc/32/29/33/994322933.db2.gz OUPFXMNPUBHIIX-UHFFFAOYSA-N -1 0 342.376 3.564 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)[C@H](C)Cc1cccc(Cl)c1 ZINC001599644650 994408166 /nfs/dbraw/zinc/40/81/66/994408166.db2.gz RGFTUFMGPLZDCJ-LLVKDONJSA-N -1 0 348.782 3.831 20 0 EHADRM COc1cccc(C(=O)[O-])c1CSc1nc2ccc(F)cc2o1 ZINC001599645757 994422729 /nfs/dbraw/zinc/42/27/29/994422729.db2.gz ZTXSZSDORZREDS-UHFFFAOYSA-N -1 0 333.340 3.966 20 0 EHADRM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)[C@@H]2CCC=CCCC2)c1 ZINC001599648714 994462688 /nfs/dbraw/zinc/46/26/88/994462688.db2.gz BXIUHHRNFZUAAK-FOIQADDNSA-N -1 0 345.439 3.638 20 0 EHADRM Cc1cccc(C)c1NC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000339900209 1015866797 /nfs/dbraw/zinc/86/67/97/1015866797.db2.gz ZEQWNUCHPKBDGC-UHFFFAOYSA-N -1 0 325.343 3.586 20 0 EHADRM COc1cccc([C@@H](C)C(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)c1 ZINC001599654525 994557305 /nfs/dbraw/zinc/55/73/05/994557305.db2.gz PXZBTOLKFJFHDM-OLZOCXBDSA-N -1 0 328.364 3.801 20 0 EHADRM COc1cccc([C@](C)(CC(=O)[O-])NCc2c(F)ccc(C)c2F)c1 ZINC001599656833 994594838 /nfs/dbraw/zinc/59/48/38/994594838.db2.gz XUWLZTDSBIAFNN-IBGZPJMESA-N -1 0 349.377 3.762 20 0 EHADRM COc1cccc([C@H](Sc2nnc(-c3ccccc3)o2)C(=O)[O-])c1 ZINC001599661862 994667773 /nfs/dbraw/zinc/66/77/73/994667773.db2.gz SMDFYXFYNUSYQL-AWEZNQCLSA-N -1 0 342.376 3.663 20 0 EHADRM COc1cccc([C@@H](Sc2ncnc3sc(C)cc32)C(=O)[O-])c1 ZINC001599661845 994667797 /nfs/dbraw/zinc/66/77/97/994667797.db2.gz RHGYUPDZWMRIAP-CYBMUJFWSA-N -1 0 346.433 3.926 20 0 EHADRM COc1cccc(C[C@H](C)CC(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC001599664132 994702497 /nfs/dbraw/zinc/70/24/97/994702497.db2.gz APTRUGXAAILHBB-NSHDSACASA-N -1 0 333.409 3.662 20 0 EHADRM C[C@@H](NCc1cccc(-c2nc(C(=O)[O-])cs2)c1)c1cscn1 ZINC001593304528 994747673 /nfs/dbraw/zinc/74/76/73/994747673.db2.gz NJWZPNDPGUTFJS-SNVBAGLBSA-N -1 0 345.449 3.816 20 0 EHADRM C[C@H](NCc1csc(-c2cccc(C(=O)[O-])c2)n1)c1cccnc1 ZINC001593311180 994779880 /nfs/dbraw/zinc/77/98/80/994779880.db2.gz DHADQALOGMHLNE-LBPRGKRZSA-N -1 0 339.420 3.754 20 0 EHADRM COc1cccc(NC(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC001599675812 994895926 /nfs/dbraw/zinc/89/59/26/994895926.db2.gz ABQGEPZBGBPYPI-LBPRGKRZSA-N -1 0 328.368 3.602 20 0 EHADRM CNc1ccc(Cl)c(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC001598679368 994901795 /nfs/dbraw/zinc/90/17/95/994901795.db2.gz FPPFYFTUWZENBB-ZBEGNZNMSA-N -1 0 346.814 3.574 20 0 EHADRM CNc1ccc(Cl)c(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c1 ZINC001598679796 994908727 /nfs/dbraw/zinc/90/87/27/994908727.db2.gz NRFIIPNURZIVNE-UHFFFAOYSA-N -1 0 332.787 3.949 20 0 EHADRM CNc1ccc(Cl)c(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC001598679974 994910908 /nfs/dbraw/zinc/91/09/08/994910908.db2.gz QWWTWTKPZDQQBC-LLVKDONJSA-N -1 0 346.814 3.897 20 0 EHADRM C[C@@H](Nc1ncc(C(=O)[O-])cn1)c1cc(Cl)cc(Cl)c1F ZINC001593375035 995076901 /nfs/dbraw/zinc/07/69/01/995076901.db2.gz ZLPPJJCOWOEHKJ-ZCFIWIBFSA-N -1 0 330.146 3.794 20 0 EHADRM COC(=O)[C@@H](SCc1ccccc1F)c1cccc(C(=O)[O-])c1 ZINC001598713704 995378072 /nfs/dbraw/zinc/37/80/72/995378072.db2.gz XHMGBFVBUCEAJD-HNNXBMFYSA-N -1 0 334.368 3.671 20 0 EHADRM C[C@@H](OC(=O)/C=C\c1ccc2[nH]ccc2c1)c1cc(C(=O)[O-])co1 ZINC001593514948 995535622 /nfs/dbraw/zinc/53/56/22/995535622.db2.gz LWXRUKISGRUCBS-USEMIUTHSA-N -1 0 325.320 3.777 20 0 EHADRM C[C@@H](OC(=O)C[C@@H]1CCc2ccccc2C1)c1cc(C(=O)[O-])co1 ZINC001593516698 995549847 /nfs/dbraw/zinc/54/98/47/995549847.db2.gz VOECBZJUVVBUKX-CHWSQXEVSA-N -1 0 328.364 3.777 20 0 EHADRM C[C@@H](OC(=O)CCSc1ccc(F)cc1)c1ccc(C(=O)[O-])o1 ZINC001593524159 995560343 /nfs/dbraw/zinc/56/03/43/995560343.db2.gz CTUNUWBTTDKONG-SNVBAGLBSA-N -1 0 338.356 3.904 20 0 EHADRM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3cccc(C)c3F)cc2)o1 ZINC000180476197 1015957208 /nfs/dbraw/zinc/95/72/08/1015957208.db2.gz LEWKZBDKXRFRQO-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM C[C@H](OC(=O)Cc1csc(C2CCCC2)n1)c1cc(C(=O)[O-])co1 ZINC001593537839 995605892 /nfs/dbraw/zinc/60/58/92/995605892.db2.gz XQGYNQGJULAKPQ-JTQLQIEISA-N -1 0 349.408 3.939 20 0 EHADRM C[C@@H](OC(=O)c1ccc(Cl)nc1Cl)c1cc(C(=O)[O-])co1 ZINC001593578733 995688686 /nfs/dbraw/zinc/68/86/86/995688686.db2.gz IRNRHALFASXWFL-ZCFIWIBFSA-N -1 0 330.123 3.598 20 0 EHADRM C[C@H](OC(=O)c1ccsc1Br)c1cc(C(=O)[O-])co1 ZINC001593598127 995742869 /nfs/dbraw/zinc/74/28/69/995742869.db2.gz VSVIKJNBHWTPKI-LURJTMIESA-N -1 0 345.170 3.720 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001593602709 995765091 /nfs/dbraw/zinc/76/50/91/995765091.db2.gz IXSPTQRUJZFNKH-JTQLQIEISA-N -1 0 341.354 3.729 20 0 EHADRM C[C@H](OCCCNC(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001593608813 995799301 /nfs/dbraw/zinc/79/93/01/995799301.db2.gz SWKXWPROXHUXKL-AWEZNQCLSA-N -1 0 342.395 3.674 20 0 EHADRM C[C@@H](Oc1ccccc1Cl)C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001593652557 996017653 /nfs/dbraw/zinc/01/76/53/996017653.db2.gz YAVCENBAWPQFHT-LLVKDONJSA-N -1 0 334.755 3.549 20 0 EHADRM C[C@@H](S[C@@H](C(=O)[O-])c1ccccc1Cl)C(=O)OC(C)(C)C ZINC001593658584 996033140 /nfs/dbraw/zinc/03/31/40/996033140.db2.gz KFFIMFDMUWVHOY-BXKDBHETSA-N -1 0 330.833 3.929 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC001593663820 996046459 /nfs/dbraw/zinc/04/64/59/996046459.db2.gz SREPFGCWOVVEKT-YOEHRIQHSA-N -1 0 349.496 3.848 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)OC[C@@H]1CC1(Cl)Cl)C(=O)[O-] ZINC001593673386 996084048 /nfs/dbraw/zinc/08/40/48/996084048.db2.gz KEMXAIWGEMQBNA-BDAKNGLRSA-N -1 0 349.235 3.602 20 0 EHADRM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001593685960 996120385 /nfs/dbraw/zinc/12/03/85/996120385.db2.gz GUURIFCVDJDBCI-NSHDSACASA-N -1 0 339.351 3.751 20 0 EHADRM C[C@H](c1ccc(C(=O)[O-])o1)S(=O)(=O)c1ccc(Cl)cc1Cl ZINC001593690174 996135402 /nfs/dbraw/zinc/13/54/02/996135402.db2.gz PRQWWXQPXPRYPR-SSDOTTSWSA-N -1 0 349.191 3.820 20 0 EHADRM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001593697984 996159818 /nfs/dbraw/zinc/15/98/18/996159818.db2.gz CGQMTRZHDSRLEJ-ZADCQDASSA-N -1 0 333.771 3.864 20 0 EHADRM C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001593706250 996195525 /nfs/dbraw/zinc/19/55/25/996195525.db2.gz OPGDGXRSFSWDGN-ACJLOTCBSA-N -1 0 341.382 3.932 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(C)C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001593713379 996220791 /nfs/dbraw/zinc/22/07/91/996220791.db2.gz MYEOKSDKOVAIGF-AEZGRPFRSA-N -1 0 333.771 3.864 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001593713599 996222592 /nfs/dbraw/zinc/22/25/92/996222592.db2.gz PHBPBZZNYBCFKR-GFCCVEGCSA-N -1 0 346.814 3.670 20 0 EHADRM C[C@H](c1ccccc1)n1cnnc1SCc1csc(C(=O)[O-])c1 ZINC001593714195 996228735 /nfs/dbraw/zinc/22/87/35/996228735.db2.gz WCUAYMYVUQQDAX-LLVKDONJSA-N -1 0 345.449 3.939 20 0 EHADRM C[C@H](c1ccccc1)n1cnnc1SCc1cc(C(=O)[O-])cs1 ZINC001593714687 996231847 /nfs/dbraw/zinc/23/18/47/996231847.db2.gz ZHAWXBBFKVKNTG-LLVKDONJSA-N -1 0 345.449 3.939 20 0 EHADRM C[C@@H](c1nc(C(=O)[O-])co1)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC001593725176 996274560 /nfs/dbraw/zinc/27/45/60/996274560.db2.gz NLLNETLKTOMEOW-JTQLQIEISA-N -1 0 336.338 3.592 20 0 EHADRM C[C@@H](c1nc(C(=O)[O-])co1)N1CC=C(c2ccccc2Cl)CC1 ZINC001593725847 996283335 /nfs/dbraw/zinc/28/33/35/996283335.db2.gz VBJHDMAMOSLXQU-NSHDSACASA-N -1 0 332.787 3.877 20 0 EHADRM C[C@@H](c1nc(C(=O)[O-])co1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC001593726057 996286645 /nfs/dbraw/zinc/28/66/45/996286645.db2.gz YOVALCQJJRIYQQ-NSHDSACASA-N -1 0 332.787 3.877 20 0 EHADRM C[C@@]1(Br)C[C@@H]1C(=O)Oc1cc2ccccc2cc1C(=O)[O-] ZINC001593739199 996351865 /nfs/dbraw/zinc/35/18/65/996351865.db2.gz DEMTVBGVZIUFNS-MLGOLLRUSA-N -1 0 349.180 3.617 20 0 EHADRM C[C@]1(C(=O)Nc2ncc(Cc3cccc(C(=O)[O-])c3)s2)C=CCC1 ZINC001593761738 996424335 /nfs/dbraw/zinc/42/43/35/996424335.db2.gz DJPMRWQQUABWFB-SFHVURJKSA-N -1 0 342.420 3.727 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)CCCCCc2ccc(F)cc2)C1 ZINC001593765957 996444359 /nfs/dbraw/zinc/44/43/59/996444359.db2.gz BPWSRTWMDBHWFB-IBGZPJMESA-N -1 0 335.419 3.642 20 0 EHADRM CC1(C(=O)Oc2ccc(SCC(=O)[O-])cc2)CCC(F)(F)CC1 ZINC001593817071 996558293 /nfs/dbraw/zinc/55/82/93/996558293.db2.gz UNWJBRYZLSZLKB-UHFFFAOYSA-N -1 0 344.379 3.984 20 0 EHADRM CC1(C)C[C@@H](O)c2c(OCc3ccc(F)cc3C(=O)[O-])cccc2O1 ZINC001593861896 996657343 /nfs/dbraw/zinc/65/73/43/996657343.db2.gz MPTHTJCJJBRLQI-CQSZACIVSA-N -1 0 346.354 3.697 20 0 EHADRM CC1(C)C[C@@]1(C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])c1ccccc1 ZINC001593864530 996666933 /nfs/dbraw/zinc/66/69/33/996666933.db2.gz WQWOKUUPGXJSKF-UWJYYQICSA-N -1 0 343.467 3.894 20 0 EHADRM CC1(C)C[C@@]1(NC(=O)NCCCCCCC(=O)[O-])c1ccccc1 ZINC001593868876 996675871 /nfs/dbraw/zinc/67/58/71/996675871.db2.gz QMRCJTUTVMKMEG-LJQANCHMSA-N -1 0 332.444 3.646 20 0 EHADRM CC1(C)CC[C@H](C(=O)N[C@H](CC(=O)[O-])C2CC2)[C@@H](c2ccccc2)C1 ZINC001593874092 996687584 /nfs/dbraw/zinc/68/75/84/996687584.db2.gz FCCVGNALMARFQM-RCCFBDPRSA-N -1 0 343.467 3.966 20 0 EHADRM CC1(C)CCC[C@@](NC(=O)C2CCc3ccccc3CC2)(C(=O)[O-])C1 ZINC001593890939 996734697 /nfs/dbraw/zinc/73/46/97/996734697.db2.gz HHSZTUBHNLASGD-NRFANRHFSA-N -1 0 343.467 3.721 20 0 EHADRM CC1(C)CCC[C@](NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)(C(=O)[O-])C1 ZINC001593890986 996734730 /nfs/dbraw/zinc/73/47/30/996734730.db2.gz HOSBYYQXZKWGJO-XHBSWPGZSA-N -1 0 349.393 3.895 20 0 EHADRM CC1(C)CCC[C@@](NC(=O)C/C=C/Cc2ccccc2)(C(=O)[O-])C1 ZINC001593892483 996740900 /nfs/dbraw/zinc/74/09/00/996740900.db2.gz RTXJIMGFDJPITN-YJJPMGAVSA-N -1 0 329.440 3.715 20 0 EHADRM CC1(C)CCC[C@](NC(=O)c2cc(F)ccc2Cl)(C(=O)[O-])C1 ZINC001593893238 996745825 /nfs/dbraw/zinc/74/58/25/996745825.db2.gz YYJCRHNYJKOKOH-MRXNPFEDSA-N -1 0 327.783 3.633 20 0 EHADRM COc1ccc(C(=O)N2CCCCc3cc(C(=O)[O-])ccc32)c(C)c1 ZINC001599481247 996779008 /nfs/dbraw/zinc/77/90/08/996779008.db2.gz BHDKTKMSPZEYPA-UHFFFAOYSA-N -1 0 339.391 3.685 20 0 EHADRM CC1(C)CCCC[C@H]1C(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001593905044 996784560 /nfs/dbraw/zinc/78/45/60/996784560.db2.gz MZKVQXCHTWQIAQ-JKSUJKDBSA-N -1 0 343.423 3.761 20 0 EHADRM CC1(C)CCc2cccc(NC(=O)/C=C/c3ccc(C(=O)[O-])o3)c2O1 ZINC001593915643 996811606 /nfs/dbraw/zinc/81/16/06/996811606.db2.gz AFUNWEJRRLPOQM-VQHVLOKHSA-N -1 0 341.363 3.733 20 0 EHADRM CC1(C)CCc2ccccc2[C@H](NC(=O)N[C@@H]2CC=C(C(=O)[O-])C2)C1 ZINC001593916456 996818540 /nfs/dbraw/zinc/81/85/40/996818540.db2.gz SGCXZSCNFQLGDA-NVXWUHKLSA-N -1 0 342.439 3.563 20 0 EHADRM COc1ccc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)[O-])c(F)c1 ZINC001599485660 996843862 /nfs/dbraw/zinc/84/38/62/996843862.db2.gz DLMOUDPFSPXPDJ-UHFFFAOYSA-N -1 0 337.734 3.747 20 0 EHADRM COc1ccc(C(=O)Nc2cc(C(=O)[O-])cc(Cl)c2Cl)cc1 ZINC001599486078 996851606 /nfs/dbraw/zinc/85/16/06/996851606.db2.gz QIEMOBKRDVQWOO-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM COCc1c2ccccc2oc1C(=O)Nc1cc(C)c(C(=O)[O-])s1 ZINC001599278579 996853843 /nfs/dbraw/zinc/85/38/43/996853843.db2.gz OVUSWVHRZXEHGC-UHFFFAOYSA-N -1 0 345.376 3.900 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)[C@H]1c1ccco1 ZINC001593935325 996907801 /nfs/dbraw/zinc/90/78/01/996907801.db2.gz WWUBRBXKEOOACR-AWEZNQCLSA-N -1 0 332.331 3.732 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@@H]2CCCc3sccc32)c1F ZINC001599489225 996908426 /nfs/dbraw/zinc/90/84/26/996908426.db2.gz LESIXNJDKWNJSL-SNVBAGLBSA-N -1 0 349.383 3.653 20 0 EHADRM COc1ccc(C(=O)Nc2scc(C(=O)[O-])c2C)cc1Cl ZINC001599489497 996913668 /nfs/dbraw/zinc/91/36/68/996913668.db2.gz ZELONCNPBHTGRL-UHFFFAOYSA-N -1 0 325.773 3.669 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cc3ccccc3s2)c1F ZINC001599490305 996925853 /nfs/dbraw/zinc/92/58/53/996925853.db2.gz WMIBGIKOOVTCPK-UHFFFAOYSA-N -1 0 345.351 4.000 20 0 EHADRM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1)c1cncc(Cl)c1 ZINC000339961615 1016076191 /nfs/dbraw/zinc/07/61/91/1016076191.db2.gz GHXTZVAMHLDVEK-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM COCc1cc(NC(=O)N[C@@H](C)c2ccc(C)cc2)cc(C(=O)[O-])c1 ZINC001599285736 996973899 /nfs/dbraw/zinc/97/38/99/996973899.db2.gz JQMVUEKUWGKCKR-ZDUSSCGKSA-N -1 0 342.395 3.722 20 0 EHADRM COc1cc(C(C)=O)ccc1OCc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001599388789 996993911 /nfs/dbraw/zinc/99/39/11/996993911.db2.gz RBJLPGUDGUSARD-UHFFFAOYSA-N -1 0 340.375 3.593 20 0 EHADRM COCc1cc(N[C@@H](C)c2cc3cnccc3o2)cc(C(=O)[O-])c1 ZINC001599287802 997011007 /nfs/dbraw/zinc/01/10/07/997011007.db2.gz HMWQAMYAHGXGBK-NSHDSACASA-N -1 0 326.352 3.846 20 0 EHADRM COc1cc(C)cc(CNc2ncc(C(=O)[O-])cc2C(F)(F)F)c1 ZINC001599392690 997067120 /nfs/dbraw/zinc/06/71/20/997067120.db2.gz RYRYZCRFYLEMKU-UHFFFAOYSA-N -1 0 340.301 3.728 20 0 EHADRM COC1([C@@H](C)NC(=O)Nc2cccc3cc(C(=O)[O-])sc32)CCC1 ZINC001599084481 997072620 /nfs/dbraw/zinc/07/26/20/997072620.db2.gz YBYMULXPCJNHPG-SNVBAGLBSA-N -1 0 348.424 3.679 20 0 EHADRM CC1(C)Cc2cc(NC(=O)N[C@@H](CC(=O)[O-])C3CCCC3)ccc2O1 ZINC001593964179 997093465 /nfs/dbraw/zinc/09/34/65/997093465.db2.gz DHTFAIDLISBIQT-HNNXBMFYSA-N -1 0 346.427 3.555 20 0 EHADRM CC1(C)Cc2cc(-c3nc(-c4cccc(C(=O)[O-])c4)no3)ccc2O1 ZINC001593964208 997093784 /nfs/dbraw/zinc/09/37/84/997093784.db2.gz DVPHSYWLVBLWRS-UHFFFAOYSA-N -1 0 336.347 3.815 20 0 EHADRM COCc1ccc(C(=O)OCc2c(Cl)cccc2C(=O)[O-])cc1 ZINC001599293942 997105197 /nfs/dbraw/zinc/10/51/97/997105197.db2.gz XQLARWYRPFJQEX-UHFFFAOYSA-N -1 0 334.755 3.542 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1c(C)cccc1Cl ZINC001599396464 997135294 /nfs/dbraw/zinc/13/52/94/997135294.db2.gz OLGIQWNCGGSGPS-CLFYSBASSA-N -1 0 346.766 3.974 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)/C=C(\C)c1ccccc1 ZINC001599396773 997140463 /nfs/dbraw/zinc/14/04/63/997140463.db2.gz RDTHSDQOBGHKIE-ZUJJVJDASA-N -1 0 338.359 3.802 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1cc(SC)oc1C ZINC001599397514 997154669 /nfs/dbraw/zinc/15/46/69/997154669.db2.gz FJPXLZGLFXDNPB-FNORWQNLSA-N -1 0 348.376 3.636 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC001599398207 997167343 /nfs/dbraw/zinc/16/73/43/997167343.db2.gz ZIQMQYNJSBLPDO-ICGPHACGSA-N -1 0 332.396 3.915 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)/C=C(\C)c1cccs1 ZINC001599398353 997169862 /nfs/dbraw/zinc/16/98/62/997169862.db2.gz ZKAFXSDARZNBQP-VTKKNFPDSA-N -1 0 344.388 3.863 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Nc2cnc(C(=O)[O-])c(Cl)c2)cc1 ZINC001599506211 997215048 /nfs/dbraw/zinc/21/50/48/997215048.db2.gz CDHCIDBQDDHHKG-SNVBAGLBSA-N -1 0 348.786 3.574 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)C[C@H]2CCCCC2(C)C)cc1 ZINC001599509680 997275520 /nfs/dbraw/zinc/27/55/20/997275520.db2.gz IGWWPOPWBITPSA-NVXWUHKLSA-N -1 0 347.455 3.934 20 0 EHADRM COCC1(c2noc(-c3cc(C(=O)[O-])ccc3Cl)n2)CCCC1 ZINC001599201830 997320740 /nfs/dbraw/zinc/32/07/40/997320740.db2.gz NJILEHIYQRLPNN-UHFFFAOYSA-N -1 0 336.775 3.546 20 0 EHADRM COc1cc(CN2CCC[C@H]2c2nc(C(=O)[O-])c(C)s2)ccc1C ZINC001599407990 997364515 /nfs/dbraw/zinc/36/45/15/997364515.db2.gz YSVOSGFFVVDSGL-AWEZNQCLSA-N -1 0 346.452 3.804 20 0 EHADRM COc1cc(CN2CCc3ccc(C(=O)[O-])cc3C2)ccc1Cl ZINC001599408188 997370622 /nfs/dbraw/zinc/37/06/22/997370622.db2.gz MSAKEYKXFPKIAO-UHFFFAOYSA-N -1 0 331.799 3.605 20 0 EHADRM COc1ccc([C@@H](NC(=O)CCCCC(C)C)C(=O)[O-])cc1Cl ZINC001599515113 997370731 /nfs/dbraw/zinc/37/07/31/997370731.db2.gz CHEGZQJINYBQAW-MRXNPFEDSA-N -1 0 341.835 3.807 20 0 EHADRM CON(C(=O)c1ccc(Oc2ccccc2)cc1C)[C@H](C)CC(=O)[O-] ZINC001599310840 997412004 /nfs/dbraw/zinc/41/20/04/997412004.db2.gz GGKYYWBEVFHPQV-CQSZACIVSA-N -1 0 343.379 3.654 20 0 EHADRM CO[C@@H]1CCC[C@H](C(=O)Nc2c(C(=O)[O-])ccc3ccccc32)C1 ZINC001599104924 997458452 /nfs/dbraw/zinc/45/84/52/997458452.db2.gz XSGVNPIUBKIWRM-UONOGXRCSA-N -1 0 327.380 3.682 20 0 EHADRM COc1ccc([C@@H](NC(=O)/C(C)=C/C2CCC(C)CC2)C(=O)[O-])cc1 ZINC001599521605 997490206 /nfs/dbraw/zinc/49/02/06/997490206.db2.gz XJTMDSVQCYPTMP-ONGATVRLSA-N -1 0 345.439 3.710 20 0 EHADRM C[C@@]1(CNC(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CCCCO1 ZINC001594021308 997540134 /nfs/dbraw/zinc/54/01/34/997540134.db2.gz FZBAYEUJSCWYMN-KRWDZBQOSA-N -1 0 348.424 3.680 20 0 EHADRM CO[C@@H]1CCC[C@@H](CC(=O)Nc2ccc(OC(C)C)cc2C(=O)[O-])C1 ZINC001599111148 997571236 /nfs/dbraw/zinc/57/12/36/997571236.db2.gz ARWFKXGDPZRDEQ-ZIAGYGMSSA-N -1 0 349.427 3.706 20 0 EHADRM COc1cc(Cl)c(NC(=O)c2ccsc2C(=O)[O-])cc1C ZINC001599419798 997574078 /nfs/dbraw/zinc/57/40/78/997574078.db2.gz LNRHCDIPPJYOKC-UHFFFAOYSA-N -1 0 325.773 3.669 20 0 EHADRM COc1cc(Cl)ccc1C(=O)O[C@@H](C)c1ccc(C(=O)[O-])cc1 ZINC001599420431 997585418 /nfs/dbraw/zinc/58/54/18/997585418.db2.gz FLMDRASADSYDIS-JTQLQIEISA-N -1 0 334.755 3.965 20 0 EHADRM CO[C@@H]1CCC[C@@H](CC(=O)Oc2ccc(Cl)cc2C(=O)[O-])C1 ZINC001599112855 997600513 /nfs/dbraw/zinc/60/05/13/997600513.db2.gz PKRMUVUAQOWRTR-ZYHUDNBSSA-N -1 0 326.776 3.539 20 0 EHADRM CO[C@@H]1CCC[C@@H](CC(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC001599114161 997623276 /nfs/dbraw/zinc/62/32/76/997623276.db2.gz XILYLQRGJGFBEL-XFJVYGCCSA-N -1 0 340.803 3.604 20 0 EHADRM CO[C@@H]1CCCC[C@H]1C(=O)Oc1cccc2c(CC(=O)[O-])cccc12 ZINC001599115343 997643327 /nfs/dbraw/zinc/64/33/27/997643327.db2.gz MSVOVCHZMFOCNZ-IAGOWNOFSA-N -1 0 342.391 3.578 20 0 EHADRM C[C@@]1(Cc2cccc(Cl)c2)CCCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001594042066 997670606 /nfs/dbraw/zinc/67/06/06/997670606.db2.gz XNDGWMXDWLHQAX-KHYOSLBOSA-N -1 0 349.858 3.765 20 0 EHADRM C[C@]1(Cc2noc([C@H]3CCC[C@H](C(=O)[O-])C3)n2)CC1(Cl)Cl ZINC001594044069 997685289 /nfs/dbraw/zinc/68/52/89/997685289.db2.gz WVEUSTAJGWPFAV-RVBZMBCESA-N -1 0 333.215 3.554 20 0 EHADRM COc1cc(NC(=O)[C@]2(C)CCc3ccccc3C2)ccc1C(=O)[O-] ZINC001599433310 997797882 /nfs/dbraw/zinc/79/78/82/997797882.db2.gz NJLJUARCRCHORB-HXUWFJFHSA-N -1 0 339.391 3.527 20 0 EHADRM COc1c(C)cccc1CNC(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC001599334409 997808007 /nfs/dbraw/zinc/80/80/07/997808007.db2.gz WGNYZLHAAJCWCJ-UHFFFAOYSA-N -1 0 342.395 3.640 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)C[C@@H]1CCCC[C@@H]1C ZINC001599541384 997848780 /nfs/dbraw/zinc/84/87/80/997848780.db2.gz CNSMBTYYCZKETF-MXOYHRSNSA-N -1 0 332.396 3.915 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)Cc1ccc(Cl)cc1 ZINC001599541498 997851666 /nfs/dbraw/zinc/85/16/66/997851666.db2.gz CUDPRKSCFWIUNT-WEVVVXLNSA-N -1 0 346.766 3.595 20 0 EHADRM COc1cc(NC(=O)NCC2CCCCCCC2)ccc1C(=O)[O-] ZINC001599436957 997864905 /nfs/dbraw/zinc/86/49/05/997864905.db2.gz DTQCGSXYAUCDTC-UHFFFAOYSA-N -1 0 334.416 3.875 20 0 EHADRM COc1c(NC(=O)/C(C)=C/c2ccc(C)cc2)cccc1C(=O)[O-] ZINC001599337774 997867625 /nfs/dbraw/zinc/86/76/25/997867625.db2.gz MFXKJGXJDCYSAX-ACCUITESSA-N -1 0 325.364 3.744 20 0 EHADRM COc1ccc(/C=C/c2nc(Cl)c(C(=O)[O-])s2)cc1OC ZINC001599543226 997879145 /nfs/dbraw/zinc/87/91/45/997879145.db2.gz CFEWYJNGTKRUFQ-GQCTYLIASA-N -1 0 325.773 3.682 20 0 EHADRM COc1ccc(/C=C/c2ccc(N3CCC(C(=O)[O-])CC3)nc2)cc1 ZINC001599543535 997885065 /nfs/dbraw/zinc/88/50/65/997885065.db2.gz JCOPTSFPBFQUFI-NSCUHMNNSA-N -1 0 338.407 3.562 20 0 EHADRM COc1c(NC(=O)N(C)[C@@H](C)c2ccccc2F)cccc1C(=O)[O-] ZINC001599338891 997886835 /nfs/dbraw/zinc/88/68/35/997886835.db2.gz ZIRKSAQZVYJNGO-NSHDSACASA-N -1 0 346.358 3.757 20 0 EHADRM COc1c(NC(=O)N[C@H](C)C2CCCCCC2)cccc1C(=O)[O-] ZINC001599339688 997901208 /nfs/dbraw/zinc/90/12/08/997901208.db2.gz VDDMDDMADQKWFQ-GFCCVEGCSA-N -1 0 334.416 3.874 20 0 EHADRM COC(=O)c1cc(NC(=O)C[C@@H](C)CCC=C(C)C)cc(C(=O)[O-])c1 ZINC001598938017 997907969 /nfs/dbraw/zinc/90/79/69/997907969.db2.gz KYLOYMXGJOSSMK-ZDUSSCGKSA-N -1 0 347.411 3.883 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1nccc2ccccc21 ZINC001599545088 997909975 /nfs/dbraw/zinc/90/99/75/997909975.db2.gz JTOCWANEYGWLIZ-VQHVLOKHSA-N -1 0 349.342 3.560 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1Oc1ncnc2c(C)cccc12 ZINC001599545859 997921031 /nfs/dbraw/zinc/92/10/31/997921031.db2.gz IZDLOZQQRDMVRK-VQHVLOKHSA-N -1 0 336.347 3.837 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OCCCc1cccc(F)c1 ZINC001599546057 997924452 /nfs/dbraw/zinc/92/44/52/997924452.db2.gz KSWMUFGHMVOKOB-NTMALXAHSA-N -1 0 330.355 3.944 20 0 EHADRM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001594076838 997950598 /nfs/dbraw/zinc/95/05/98/997950598.db2.gz PHBZCXRQHSSSAB-PXNSSMCTSA-N -1 0 349.390 3.718 20 0 EHADRM COc1cc(NCc2cnc(-c3ccco3)s2)ccc1C(=O)[O-] ZINC001599443545 997970834 /nfs/dbraw/zinc/97/08/34/997970834.db2.gz HNNOSTLSIWHQJJ-UHFFFAOYSA-N -1 0 330.365 3.722 20 0 EHADRM COc1cc(OC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)ccc1C(=O)[O-] ZINC001599446581 998019368 /nfs/dbraw/zinc/01/93/68/998019368.db2.gz ZMGYSDRZAOLDKN-MELADBBJSA-N -1 0 332.396 3.905 20 0 EHADRM COc1cc(OC(=O)c2cc(C3CC3)[nH]c2C2CC2)ccc1C(=O)[O-] ZINC001599447751 998037271 /nfs/dbraw/zinc/03/72/71/998037271.db2.gz LSNPDGCUFHMJBR-UHFFFAOYSA-N -1 0 341.363 3.696 20 0 EHADRM COC(=O)c1cc(NCc2ccc(C(=O)[O-])cc2F)c(C)cc1C ZINC001598948488 998100325 /nfs/dbraw/zinc/10/03/25/998100325.db2.gz ROKAYSKCEACHGI-UHFFFAOYSA-N -1 0 331.343 3.539 20 0 EHADRM COC(=O)c1cc(Oc2nc3c(cccc3C)s2)cc(C(=O)[O-])c1 ZINC001598950535 998142878 /nfs/dbraw/zinc/14/28/78/998142878.db2.gz CFIRKWIDGIJWTI-UHFFFAOYSA-N -1 0 343.360 3.882 20 0 EHADRM CC1=C(C)C[C@H](C(=O)N2c3ccccc3C[C@H](C)[C@@H]2C(=O)[O-])CC1 ZINC001594109476 998194633 /nfs/dbraw/zinc/19/46/33/998194633.db2.gz JRYBNNUSSWPCAB-YXJHDRRASA-N -1 0 327.424 3.802 20 0 EHADRM CC1=C(C)C[C@H](C(=O)N[C@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])CC1 ZINC001594110253 998207069 /nfs/dbraw/zinc/20/70/69/998207069.db2.gz SGWUVWRZOJKWMK-DNVCBOLYSA-N -1 0 349.858 3.979 20 0 EHADRM CC1=C(C)C[C@@](C)(C(=O)N2CCOc3cc(C(=O)[O-])ccc3C2)CC1 ZINC001594110447 998211499 /nfs/dbraw/zinc/21/14/99/998211499.db2.gz VWMZRZIYTNZCGK-FQEVSTJZSA-N -1 0 343.423 3.632 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)c2ccc3ccccc3c2)c1O ZINC001599361269 998265448 /nfs/dbraw/zinc/26/54/48/998265448.db2.gz DSAKUUOPZUTNIZ-UHFFFAOYSA-N -1 0 337.331 3.505 20 0 EHADRM COc1cc(C(=O)[O-])ccc1CCNC(=O)/C=C/C1CCCCCC1 ZINC001599363861 998305462 /nfs/dbraw/zinc/30/54/62/998305462.db2.gz ZDFHEGCFYVLPLT-DHZHZOJOSA-N -1 0 345.439 3.579 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N1C[C@H](C)c2ccccc21 ZINC001599369914 998394065 /nfs/dbraw/zinc/39/40/65/998394065.db2.gz DQMRZBLFCHVGMA-NSHDSACASA-N -1 0 326.352 3.549 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)C[C@@H](C)c1cccc(F)c1 ZINC001599370455 998401745 /nfs/dbraw/zinc/40/17/45/998401745.db2.gz WXWWKXMQIQRDSJ-LLVKDONJSA-N -1 0 331.343 3.665 20 0 EHADRM COc1ccc(CNc2ccc3c(C(=O)[O-])c[nH]c3c2)c(C)c1OC ZINC001599574742 998423882 /nfs/dbraw/zinc/42/38/82/998423882.db2.gz ORHCAFNMACISMW-UHFFFAOYSA-N -1 0 340.379 3.804 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)NC(C)(C)c1cccc(F)c1 ZINC001599372790 998438382 /nfs/dbraw/zinc/43/83/82/998438382.db2.gz PWLRSDHMMOPDLD-UHFFFAOYSA-N -1 0 346.358 3.589 20 0 EHADRM COc1ccc(COc2cc[nH]c2C(=O)[O-])cc1SC(F)(F)F ZINC001599575736 998439311 /nfs/dbraw/zinc/43/93/11/998439311.db2.gz LQBWVMDTUKGTCQ-UHFFFAOYSA-N -1 0 347.314 3.912 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)NCC(C)(C)C1CCCC1 ZINC001599373125 998442983 /nfs/dbraw/zinc/44/29/83/998442983.db2.gz IHNOTKXLXPIPKH-UHFFFAOYSA-N -1 0 334.416 3.731 20 0 EHADRM COc1cc(C(=O)[O-])ccc1N[C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC001599375544 998479391 /nfs/dbraw/zinc/47/93/91/998479391.db2.gz NUZZXGJOSTXDPS-CZUORRHYSA-N -1 0 326.396 3.927 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=S)Nc1cc(C)ccc1F ZINC001599375632 998480374 /nfs/dbraw/zinc/48/03/74/998480374.db2.gz RBCBTGRFOAJKHY-UHFFFAOYSA-N -1 0 334.372 3.650 20 0 EHADRM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000683329574 1016220250 /nfs/dbraw/zinc/22/02/50/1016220250.db2.gz UAJLPUDAFWRPFO-VIFPVBQESA-N -1 0 339.800 3.814 20 0 EHADRM COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)[nH]cc2C(=O)[O-] ZINC001599580570 998523388 /nfs/dbraw/zinc/52/33/88/998523388.db2.gz ZKNYMJZWTBBZBJ-UHFFFAOYSA-N -1 0 344.754 3.780 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)CCCc1ccc(Cl)cc1 ZINC001599378791 998533593 /nfs/dbraw/zinc/53/35/93/998533593.db2.gz ORGUFGMNQOZIFB-UHFFFAOYSA-N -1 0 348.782 3.975 20 0 EHADRM COC(=O)c1ccc(Cl)c(CNc2cccc([C@@H](C)C(=O)[O-])c2)c1 ZINC001598975391 998593901 /nfs/dbraw/zinc/59/39/01/998593901.db2.gz GDBCRAIAYUZEHH-LLVKDONJSA-N -1 0 347.798 3.927 20 0 EHADRM COC(=O)c1ccc(NC(=O)C[C@@H](C)CC(C)(C)C)cc1C(=O)[O-] ZINC001598979274 998639460 /nfs/dbraw/zinc/63/94/60/998639460.db2.gz ZEQHJNTVANXUEJ-LLVKDONJSA-N -1 0 335.400 3.572 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1c1oc(-c2ccccc2)nc1C(F)(F)F ZINC001594173020 998664205 /nfs/dbraw/zinc/66/42/05/998664205.db2.gz JXLSXIGPPWHMCJ-MWLCHTKSSA-N -1 0 340.301 3.660 20 0 EHADRM C[C@@H]1[C@H](C(=O)Oc2ccc(C(=O)[O-])cc2Cl)[C@H]1c1ccccc1 ZINC001594174722 998670191 /nfs/dbraw/zinc/67/01/91/998670191.db2.gz TUOZEFKWDVCHRN-JQAFLVLXSA-N -1 0 330.767 3.993 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001594175286 998671194 /nfs/dbraw/zinc/67/11/94/998671194.db2.gz WFGAWLDTYGEGJP-HNHYXYPQSA-N -1 0 330.767 3.993 20 0 EHADRM COC(=O)c1ccc(N[C@@H]2CCC[C@@H](CCCC(=O)[O-])C2)c(OC)c1 ZINC001598983249 998677585 /nfs/dbraw/zinc/67/75/85/998677585.db2.gz CXSYLQKBGPWUFF-DZGCQCFKSA-N -1 0 349.427 3.707 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1C(=O)c1ccc(Cl)c2occc21 ZINC001594206032 998792812 /nfs/dbraw/zinc/79/28/12/998792812.db2.gz OCSHAYZYFCHDPY-JGPRNRPPSA-N -1 0 335.787 3.800 20 0 EHADRM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1C(=O)c1cccc(-c2cscn2)c1 ZINC001594206166 998793347 /nfs/dbraw/zinc/79/33/47/998793347.db2.gz PSMXMGNQUKBKJF-VXGBXAGGSA-N -1 0 344.436 3.524 20 0 EHADRM C[C@@H](SCc1ccccc1C(=O)[O-])C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC001594222565 998857494 /nfs/dbraw/zinc/85/74/94/998857494.db2.gz YGHRSOGFFUMGLA-MGPQQGTHSA-N -1 0 335.469 3.511 20 0 EHADRM C[C@@H](NC(=O)C1CC(C(=O)[O-])C1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000683339996 1016262814 /nfs/dbraw/zinc/26/28/14/1016262814.db2.gz CEEONELXHNWGEY-AXOLYNHLSA-N -1 0 341.382 3.781 20 0 EHADRM O=C([O-])C1(CC(=O)NCCc2ccc(-c3ccccc3)cc2)CCC1 ZINC000683339569 1016264334 /nfs/dbraw/zinc/26/43/34/1016264334.db2.gz LVQRPWCAVQQPAI-UHFFFAOYSA-N -1 0 337.419 3.657 20 0 EHADRM COC(=O)c1sc(SCc2ccccc2C(=O)[O-])nc1Cl ZINC001599022811 998994314 /nfs/dbraw/zinc/99/43/14/998994314.db2.gz VPCZNSULXCSNRX-UHFFFAOYSA-N -1 0 343.813 3.574 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)c2cc(C(=O)[O-])co2)C[C@H](c2ccccc2)C1 ZINC001594261260 999008697 /nfs/dbraw/zinc/00/86/97/999008697.db2.gz VCWOZQGCZBALRE-JGGQBBKZSA-N -1 0 327.380 3.680 20 0 EHADRM C[C@@H]1C[C@H](c2cccnc2)N(C(=O)NCCCCCCCC(=O)[O-])C1 ZINC001594270110 999043744 /nfs/dbraw/zinc/04/37/44/999043744.db2.gz QIJNUTFIYKASGT-NVXWUHKLSA-N -1 0 347.459 3.599 20 0 EHADRM CO[C@@H](C)c1nc(CNc2cc(C(=O)[O-])cc3cccnc32)cs1 ZINC001599041493 999120570 /nfs/dbraw/zinc/12/05/70/999120570.db2.gz BGGLFBDRPFFCBZ-JTQLQIEISA-N -1 0 343.408 3.709 20 0 EHADRM C[C@H]1CC=C(C(=O)NCc2c3ccccc3sc2C(=O)[O-])CC1 ZINC001594291155 999122184 /nfs/dbraw/zinc/12/21/84/999122184.db2.gz QZGKIEWQJIGIOH-NSHDSACASA-N -1 0 329.421 3.962 20 0 EHADRM C[C@H]1CC/C(=C/C(=O)Oc2cc(Br)cc(C(=O)[O-])c2)C1 ZINC001594292812 999129461 /nfs/dbraw/zinc/12/94/61/999129461.db2.gz UJEKCXOQEDFDDD-QFQXNISHSA-N -1 0 339.185 3.799 20 0 EHADRM C[C@@H]1CC[C@](C)(/C=C/C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)C1(C)C ZINC001594295402 999136259 /nfs/dbraw/zinc/13/62/59/999136259.db2.gz BDCZHLCNNRQYIK-XOGDCZEBSA-N -1 0 333.472 3.718 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)Nc2cc(C(F)(F)F)cnc2C(=O)[O-])C[C@@H]1C ZINC001594295965 999139778 /nfs/dbraw/zinc/13/97/78/999139778.db2.gz LJYAXNXIWLIPBY-KXUCPTDWSA-N -1 0 344.333 3.809 20 0 EHADRM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001594299297 999155289 /nfs/dbraw/zinc/15/52/89/999155289.db2.gz XAHHLFMJKIEYPN-SCZZXKLOSA-N -1 0 349.736 3.841 20 0 EHADRM C[C@@H]1CC[C@@H](CC(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)C1 ZINC001594301720 999165024 /nfs/dbraw/zinc/16/50/24/999165024.db2.gz FWZHQXQEIHJVIB-NVXWUHKLSA-N -1 0 343.467 3.992 20 0 EHADRM C[C@@H]1CCC(F)(F)CN1C(=O)Nc1ccc2c(c1)[nH]cc2C(=O)[O-] ZINC001594307289 999187357 /nfs/dbraw/zinc/18/73/57/999187357.db2.gz WXJXHPIKDJSZCK-SECBINFHSA-N -1 0 337.326 3.518 20 0 EHADRM CC1CCC(OCC(=O)Nc2c(Cl)ccc(F)c2C(=O)[O-])CC1 ZINC001594330094 999268851 /nfs/dbraw/zinc/26/88/51/999268851.db2.gz ILOYYSUHLBONIJ-UHFFFAOYSA-N -1 0 343.782 3.711 20 0 EHADRM C[C@H]1CC[C@H](c2ccccc2)N(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C1 ZINC001594330205 999269279 /nfs/dbraw/zinc/26/92/79/999269279.db2.gz LOTURAUJYJQAEU-CIRFHOKZSA-N -1 0 344.455 3.813 20 0 EHADRM C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)C1 ZINC001594330685 999271244 /nfs/dbraw/zinc/27/12/44/999271244.db2.gz WOFKOZOGJXMZDQ-BZZMCLGOSA-N -1 0 329.440 3.877 20 0 EHADRM C[C@H]1CCC[C@H](C2CN(C(=O)CCc3ccccc3C(=O)[O-])C2)C1 ZINC001594345470 999307711 /nfs/dbraw/zinc/30/77/11/999307711.db2.gz VIWBXJOMVZEYAV-HOCLYGCPSA-N -1 0 329.440 3.602 20 0 EHADRM C[C@@H]1CCC[C@H](CNC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)[C@H]1C ZINC001594346937 999314165 /nfs/dbraw/zinc/31/41/65/999314165.db2.gz TYYWNSHDTFMZLX-QXSJWSMHSA-N -1 0 338.492 3.591 20 0 EHADRM C[C@@H]1CCC[C@@H](N(C)C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)C1 ZINC001594348019 999317802 /nfs/dbraw/zinc/31/78/02/999317802.db2.gz FACPWJDOTVBCJU-IUODEOHRSA-N -1 0 341.411 3.975 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3cn[nH]c3)c2)sc1C ZINC000091019295 1016304977 /nfs/dbraw/zinc/30/49/77/1016304977.db2.gz BUEOHBOCBRHLFL-UHFFFAOYSA-N -1 0 333.438 3.556 20 0 EHADRM C[C@H]1CCC[C@@H](OCC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)C1 ZINC001594354444 999338946 /nfs/dbraw/zinc/33/89/46/999338946.db2.gz CVVJVEXTFOUHHA-VHSXEESVSA-N -1 0 343.782 3.711 20 0 EHADRM C[C@@H]1CCC[C@@H](OCC(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)C1 ZINC001594354925 999340031 /nfs/dbraw/zinc/34/00/31/999340031.db2.gz GJFBENCGYAHWSZ-UKRRQHHQSA-N -1 0 334.412 3.550 20 0 EHADRM C[C@@H]1CCC[C@H]1CC(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC001594358027 999354071 /nfs/dbraw/zinc/35/40/71/999354071.db2.gz SKJPXIBSXLGVOF-WBVHZDCISA-N -1 0 343.467 3.992 20 0 EHADRM C[C@@H]1CCC[C@H]1CC(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC001594360492 999363100 /nfs/dbraw/zinc/36/31/00/999363100.db2.gz VUWCZKWFUKDOHG-ZJUUUORDSA-N -1 0 333.413 3.601 20 0 EHADRM C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)N1CCC(CC(=O)[O-])CC1 ZINC001594388809 999472178 /nfs/dbraw/zinc/47/21/78/999472178.db2.gz NSUYNAKFIMPBQJ-AUUYWEPGSA-N -1 0 344.455 3.596 20 0 EHADRM C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)N1CCC(CC(=O)[O-])CC1 ZINC001594388810 999472343 /nfs/dbraw/zinc/47/23/43/999472343.db2.gz NSUYNAKFIMPBQJ-IFXJQAMLSA-N -1 0 344.455 3.596 20 0 EHADRM C[C@H]1CCN(C(=O)/C=C/c2cc(C(=O)[O-])co2)CC12CCCCC2 ZINC001594396064 999492250 /nfs/dbraw/zinc/49/22/50/999492250.db2.gz HSUHUMQQNGGFFA-GJBLVYBDSA-N -1 0 331.412 3.810 20 0 EHADRM C[C@H]1CCN(C(=O)NCC2(CC(=O)[O-])CCCC2)[C@H](c2ccco2)C1 ZINC001594402270 999506730 /nfs/dbraw/zinc/50/67/30/999506730.db2.gz UUFDDBMWJSHCCY-GJZGRUSLSA-N -1 0 348.443 3.797 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cccc(C(=O)[O-])n2)[C@@H]1c1cccc(F)c1 ZINC001594406103 999520146 /nfs/dbraw/zinc/52/01/46/999520146.db2.gz RVBXZMFTKIBMSO-BZNIZROVSA-N -1 0 343.358 3.534 20 0 EHADRM C[C@@H]1CCc2[nH]nc(C(=O)Nc3ccc(C(=O)[O-])c4ccccc34)c2C1 ZINC001594449059 999646045 /nfs/dbraw/zinc/64/60/45/999646045.db2.gz YOVLRJBDOWYVMN-LLVKDONJSA-N -1 0 349.390 3.638 20 0 EHADRM C[C@H]1CCc2nc(CN(C)[C@@H](C(=O)[O-])c3ccccc3)sc2C1 ZINC001594450307 999647169 /nfs/dbraw/zinc/64/71/69/999647169.db2.gz DMQYUOQEMZOXSU-YVEFUNNKSA-N -1 0 330.453 3.526 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)N[C@]3(C)CCCC[C@H]3C(=O)[O-])cc2C1 ZINC001594450555 999647899 /nfs/dbraw/zinc/64/78/99/999647899.db2.gz HUVNUWJLEIRROQ-SUFBMKPHSA-N -1 0 335.469 3.636 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1cc2c(cccc2Cl)s1)C(=O)[O-] ZINC000655571281 1016350815 /nfs/dbraw/zinc/35/08/15/1016350815.db2.gz SBEBFIZEZLQSJZ-SNVBAGLBSA-N -1 0 325.817 3.641 20 0 EHADRM Cc1cc2occ(C(=O)N[C@H](C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)c2cc1C ZINC000655575427 1016373456 /nfs/dbraw/zinc/37/34/56/1016373456.db2.gz INWWHOQVWQRVHN-UHOFOFEASA-N -1 0 343.423 3.915 20 0 EHADRM C[C@@H](NC(=O)CC1CC(c2ccccc2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655574864 1016377965 /nfs/dbraw/zinc/37/79/65/1016377965.db2.gz FJTPKFVJHMSICP-IMXXYGAVSA-N -1 0 343.467 3.822 20 0 EHADRM C[C@H](NC(=O)c1ccc(-c2ccccc2)[nH]1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655580133 1016448998 /nfs/dbraw/zinc/44/89/98/1016448998.db2.gz HKFAJIDDZUYQAF-AEGPPILISA-N -1 0 340.423 3.547 20 0 EHADRM C[C@H](NC(=O)CCc1ccc([C@H]2C[C@H]2C)o1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655581653 1016487642 /nfs/dbraw/zinc/48/76/42/1016487642.db2.gz AOBIAYJAKSNRIB-ZLTXHLNPSA-N -1 0 347.455 3.587 20 0 EHADRM CCC[C@H](C)OC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC000748105753 1016530936 /nfs/dbraw/zinc/53/09/36/1016530936.db2.gz IIPMPBYUMMWJPU-LBPRGKRZSA-N -1 0 335.425 3.557 20 0 EHADRM Cc1cccc(C)c1[C@@H](C)NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000544875733 1016554862 /nfs/dbraw/zinc/55/48/62/1016554862.db2.gz MDPBPIRAVDPFBU-IERDGZPVSA-N -1 0 339.435 3.913 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3C[C@@H](C)CC3(C)C)n2)cc1 ZINC000472628606 1016659171 /nfs/dbraw/zinc/65/91/71/1016659171.db2.gz ITBAKQHZDXKSKC-AWEZNQCLSA-N -1 0 341.455 3.962 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)NC[C@H](CC(=O)[O-])CC(C)C)cc1 ZINC000659419098 1016676997 /nfs/dbraw/zinc/67/69/97/1016676997.db2.gz WSDGZFWMKGVUPW-HOTGVXAUSA-N -1 0 334.460 3.834 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)CC2(CCc3ccccc3)CCCC2)C1 ZINC000340198016 1016681526 /nfs/dbraw/zinc/68/15/26/1016681526.db2.gz YUCVLLFBANQSJJ-KRWDZBQOSA-N -1 0 329.440 3.503 20 0 EHADRM CCOc1ncccc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000340235713 1016751380 /nfs/dbraw/zinc/75/13/80/1016751380.db2.gz KEHZVMBVIZZJDZ-UHFFFAOYSA-N -1 0 347.223 3.588 20 0 EHADRM Cc1nc(C)c(C(=O)Nc2cc(C)cc(Br)c2O)s1 ZINC000182910587 1032150210 /nfs/dbraw/zinc/15/02/10/1032150210.db2.gz POSZSRKACAUQAE-UHFFFAOYSA-N -1 0 341.230 3.789 20 0 EHADRM CCC(=O)c1cccc([N-]S(=O)(=O)c2cccc3cccnc32)c1 ZINC000178812060 1016787465 /nfs/dbraw/zinc/78/74/65/1016787465.db2.gz WFEPPKCHARCOPN-UHFFFAOYSA-N -1 0 340.404 3.628 20 0 EHADRM COc1ccccc1-c1cc(Nc2ccc(C(=O)[O-])c(C)c2)n(C)n1 ZINC001211647947 1016930929 /nfs/dbraw/zinc/93/09/29/1016930929.db2.gz MVVKIPPRTDXRBE-UHFFFAOYSA-N -1 0 337.379 3.846 20 0 EHADRM C[C@H](NC(=O)c1cccc2ccccc21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655584510 1016936297 /nfs/dbraw/zinc/93/62/97/1016936297.db2.gz LARBCQLZYUGTDX-AFAVFJNCSA-N -1 0 325.408 3.705 20 0 EHADRM Cc1ccc(C)c(SCC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000655584050 1016970225 /nfs/dbraw/zinc/97/02/25/1016970225.db2.gz DYVCECQOIRYRTC-QLFBSQMISA-N -1 0 349.496 3.647 20 0 EHADRM COc1ccccc1-c1cccc(NC(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000237346893 1016973898 /nfs/dbraw/zinc/97/38/98/1016973898.db2.gz NIGSYEHETHVKPD-UHFFFAOYSA-N -1 0 337.331 3.906 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2cccc(N3CCCC3)c2)c1 ZINC000659764458 1016984148 /nfs/dbraw/zinc/98/41/48/1016984148.db2.gz KYLYEBGNTXQUAJ-UHFFFAOYSA-N -1 0 338.407 3.556 20 0 EHADRM O=C(Nc1nc(-c2cccs2)ns1)c1ccc([O-])c(Cl)c1 ZINC000182150476 1017052819 /nfs/dbraw/zinc/05/28/19/1017052819.db2.gz OEPRRECMESEYBT-UHFFFAOYSA-N -1 0 337.813 3.878 20 0 EHADRM O=C([O-])c1coc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1 ZINC000183750612 1032200463 /nfs/dbraw/zinc/20/04/63/1032200463.db2.gz UFCNEYPXDUCNNM-UHFFFAOYSA-N -1 0 347.330 3.773 20 0 EHADRM CC[C@@H](C(=O)N=c1nc(-c2cccnc2)[n-]s1)C1CCC(C)CC1 ZINC000461031824 1032229046 /nfs/dbraw/zinc/22/90/46/1032229046.db2.gz YDCZIVDHINLGLG-SSDMNJCBSA-N -1 0 344.484 3.813 20 0 EHADRM CC[C@H](C(=O)N=c1ccc(-c2ccccc2)n[n-]1)c1ccc(F)cc1 ZINC000461032210 1032229913 /nfs/dbraw/zinc/22/99/13/1032229913.db2.gz ZGQPVDSWKDNSNZ-KRWDZBQOSA-N -1 0 335.382 3.837 20 0 EHADRM CC(C)(NC(=O)NCCCCCC(=O)[O-])c1cccc(Cl)c1F ZINC000414626097 1017076940 /nfs/dbraw/zinc/07/69/40/1017076940.db2.gz LBWYBLOBNUWIII-UHFFFAOYSA-N -1 0 344.814 3.658 20 0 EHADRM O=C([O-])C1(c2nc(Cc3ccccc3Cl)cs2)CCOCC1 ZINC000905003074 1032316158 /nfs/dbraw/zinc/31/61/58/1032316158.db2.gz OPEBBNFKNJMVLC-UHFFFAOYSA-N -1 0 337.828 3.520 20 0 EHADRM CC[C@H](C)n1ncc2c1nc(/C=C\c1oc(C)nc1C)cc2C(=O)[O-] ZINC000905080002 1032331398 /nfs/dbraw/zinc/33/13/98/1032331398.db2.gz FTRAIRXVHKFINV-GFVADAIESA-N -1 0 340.383 3.876 20 0 EHADRM COCCCC[C@@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000905115706 1032349058 /nfs/dbraw/zinc/34/90/58/1032349058.db2.gz LCPUDVZWMFKSAD-FGTMMUONSA-N -1 0 347.455 3.552 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)N[C@@H]1CCc2cccc3cccc1c32 ZINC000905126624 1032356209 /nfs/dbraw/zinc/35/62/09/1032356209.db2.gz ROSKPMGQDRQALC-OAHLLOKOSA-N -1 0 343.448 3.540 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)N[C@@H]1CCc2cccc3cccc1c32 ZINC000905126575 1032356775 /nfs/dbraw/zinc/35/67/75/1032356775.db2.gz RFMLMFFCQSVKBW-SOLBZPMBSA-N -1 0 335.403 3.610 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)c2cc3cccnc3s2)s1 ZINC000449255552 1032363148 /nfs/dbraw/zinc/36/31/48/1032363148.db2.gz FCBBOINXSROVAD-UHFFFAOYSA-N -1 0 332.454 3.726 20 0 EHADRM COc1cccc([C@H](C)CC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000237325428 1032412189 /nfs/dbraw/zinc/41/21/89/1032412189.db2.gz NNPDXDVILMCAJI-GFCCVEGCSA-N -1 0 327.380 3.834 20 0 EHADRM COc1cc(NC(=O)C(C)(C)Cc2ccccc2)ccc1C(=O)[O-] ZINC000263062205 1032427002 /nfs/dbraw/zinc/42/70/02/1032427002.db2.gz XIJZYWWUUHYVRY-UHFFFAOYSA-N -1 0 327.380 3.601 20 0 EHADRM O=S(=O)([N-]c1ccc2scnc2c1)c1cc2ccccc2o1 ZINC000084920411 1032467652 /nfs/dbraw/zinc/46/76/52/1032467652.db2.gz VELYXUOZGGFPPD-UHFFFAOYSA-N -1 0 330.390 3.843 20 0 EHADRM CCCn1ccc2cc(NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-])ccc21 ZINC000601990880 1032582989 /nfs/dbraw/zinc/58/29/89/1032582989.db2.gz DXVGDOJZCIUPTG-VXGBXAGGSA-N -1 0 334.441 3.585 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-] ZINC000601990349 1032583604 /nfs/dbraw/zinc/58/36/04/1032583604.db2.gz YVOTVSGILCTMCU-HTQZYQBOSA-N -1 0 333.862 3.595 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)[C@H](C)S[C@@H](C)C(=O)[O-])cc1C ZINC000601994043 1032584706 /nfs/dbraw/zinc/58/47/06/1032584706.db2.gz LHGZSFXERMWZSN-DZKIICNBSA-N -1 0 335.469 3.562 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)C(C)(C)C ZINC000646151675 1032585593 /nfs/dbraw/zinc/58/55/93/1032585593.db2.gz KUXYMFXBBRHELD-SQWLQELKSA-N -1 0 332.444 3.635 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)N1CCCC[C@@H]1CCc1ccccc1 ZINC000602002692 1032589902 /nfs/dbraw/zinc/58/99/02/1032589902.db2.gz FJNSCQATHPESBY-HLLBOEOZSA-N -1 0 349.496 3.595 20 0 EHADRM CC[C@H](c1n[n-]c(=NC(=O)N2CCCC[C@H]2C)s1)c1ccccc1 ZINC000592938317 1032622431 /nfs/dbraw/zinc/62/24/31/1032622431.db2.gz UIOMQSXJTYLMGH-HIFRSBDPSA-N -1 0 344.484 3.908 20 0 EHADRM CC(C)(C)Cc1csc([N-]S(=O)(=O)CCc2ccccc2)n1 ZINC000537350335 1032651486 /nfs/dbraw/zinc/65/14/86/1032651486.db2.gz IEHKHYHVZWCYDV-UHFFFAOYSA-N -1 0 338.498 3.716 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N2C[C@H](C)CC2(C)C)s1 ZINC000471376625 1017211018 /nfs/dbraw/zinc/21/10/18/1017211018.db2.gz QRJOWCXWEUDYRP-SNVBAGLBSA-N -1 0 348.447 3.727 20 0 EHADRM CCOc1cc(Nc2ccc(C(=O)[O-])nc2)cc(C(F)(F)F)c1 ZINC001210176680 1017331688 /nfs/dbraw/zinc/33/16/88/1017331688.db2.gz GAODSRGDHJFZRZ-UHFFFAOYSA-N -1 0 326.274 3.941 20 0 EHADRM Cc1nn(C(C)(C)C)c(C)c1CN=c1[n-]nc(-c2ccc(C)cc2)o1 ZINC000650240145 1017346408 /nfs/dbraw/zinc/34/64/08/1017346408.db2.gz STBZFHCGUYIYIG-UHFFFAOYSA-N -1 0 339.443 3.647 20 0 EHADRM CC[C@H](CN(CC)C(=O)c1ccc2oc(=O)nc-2[n-]1)c1ccccc1 ZINC000613641801 1017374064 /nfs/dbraw/zinc/37/40/64/1017374064.db2.gz QMRYUQKSZQSLCR-CYBMUJFWSA-N -1 0 339.395 3.584 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(-c2ccccc2)[nH]1)C1CCCCC1 ZINC000537403781 1032704199 /nfs/dbraw/zinc/70/41/99/1032704199.db2.gz UGWNBAZJKCSPQS-GOSISDBHSA-N -1 0 340.423 3.835 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)[C@H]3CC[C@H](C)C3)n2)cc1 ZINC000430446256 1017519586 /nfs/dbraw/zinc/51/95/86/1017519586.db2.gz CHLXGIDCGBIENI-YOEHRIQHSA-N -1 0 341.455 3.962 20 0 EHADRM Cc1cc(C)nc(-c2noc(-c3ccc(Br)cc3[O-])n2)c1 ZINC000313766200 1017541672 /nfs/dbraw/zinc/54/16/72/1017541672.db2.gz MRZZCMYLPIQCIW-UHFFFAOYSA-N -1 0 346.184 3.884 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1n[nH]nc1-c1ccccc1 ZINC000189371836 1017724817 /nfs/dbraw/zinc/72/48/17/1017724817.db2.gz SBAPQDKTKZVMMW-UHFFFAOYSA-N -1 0 349.177 3.736 20 0 EHADRM O=C([O-])CC[C@H]1CCCC[N@@H+]1Cc1cccc(Br)c1F ZINC000394755238 1017797330 /nfs/dbraw/zinc/79/73/30/1017797330.db2.gz ARIOPZAAHHIXEY-GFCCVEGCSA-N -1 0 344.224 3.808 20 0 EHADRM CC(C)n1cc(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)cn1 ZINC001210323249 1017811769 /nfs/dbraw/zinc/81/17/69/1017811769.db2.gz DNCPAYVWJITRGJ-UHFFFAOYSA-N -1 0 331.397 3.608 20 0 EHADRM Cc1ccc(CN(C)C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1C ZINC000655899300 1017877851 /nfs/dbraw/zinc/87/78/51/1017877851.db2.gz DVXBGGJAHUPBDJ-BHYGNILZSA-N -1 0 346.471 3.580 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000377582273 1018014633 /nfs/dbraw/zinc/01/46/33/1018014633.db2.gz CXDVFHAYJYGFQL-UHFFFAOYSA-N -1 0 335.400 3.676 20 0 EHADRM Cc1cc(C)cc(C[C@H](C)NC(=O)CC2CCC(C(=O)[O-])CC2)c1 ZINC000574208705 1032740266 /nfs/dbraw/zinc/74/02/66/1032740266.db2.gz SWEZDHSKBWYNRJ-HJOIGYKYSA-N -1 0 331.456 3.632 20 0 EHADRM Cc1cc(Nc2cc(C(C)(C)C)sc2C(N)=O)ccc1C(=O)[O-] ZINC001211650251 1018069662 /nfs/dbraw/zinc/06/96/62/1018069662.db2.gz WNUREDXSCAJJSP-UHFFFAOYSA-N -1 0 332.425 3.895 20 0 EHADRM CCc1ccc(CSc2n[n-]c(=NC3CCCCC3)s2)nc1 ZINC000549306303 1018207832 /nfs/dbraw/zinc/20/78/32/1018207832.db2.gz MNAKPPSGSMGCKE-UHFFFAOYSA-N -1 0 334.514 3.954 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2cc3c(cccc3F)s2)cc1 ZINC000013092381 1018318386 /nfs/dbraw/zinc/31/83/86/1018318386.db2.gz LBTZOOGMAHDUGK-UHFFFAOYSA-N -1 0 329.352 3.669 20 0 EHADRM c1ccc(-c2noc(=N[C@H](c3ccccc3)c3ccccn3)[n-]2)cc1 ZINC000597895487 1032756069 /nfs/dbraw/zinc/75/60/69/1032756069.db2.gz PHKSYYDBRCZMKU-GOSISDBHSA-N -1 0 328.375 3.755 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)Cc1coc(-c2ccccc2C(F)(F)F)n1 ZINC000634692495 1018417679 /nfs/dbraw/zinc/41/76/79/1018417679.db2.gz BTVMFBJVJZTYQU-ZDUSSCGKSA-N -1 0 342.317 3.655 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1Cc1cc(-c2ccco2)on1 ZINC000584541488 1018542107 /nfs/dbraw/zinc/54/21/07/1018542107.db2.gz KMRLSCOLQXXWTF-GDBMZVCRSA-N -1 0 344.411 3.790 20 0 EHADRM C[C@H]1CCC[C@@H](CC(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)C1 ZINC000580074492 1018594529 /nfs/dbraw/zinc/59/45/29/1018594529.db2.gz VSXBUPLYTGTZGT-IDCNUPLLSA-N -1 0 329.440 3.530 20 0 EHADRM CCC[C@@](C)(NC(=O)N[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000580111821 1018657517 /nfs/dbraw/zinc/65/75/17/1018657517.db2.gz BEMACECNJJHBDF-ZUZCIYMTSA-N -1 0 346.349 3.709 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cnc3n2CCCC3)cc1 ZINC000584094531 1018673118 /nfs/dbraw/zinc/67/31/18/1018673118.db2.gz HXLSZQRBSJTPFD-CYBMUJFWSA-N -1 0 333.457 3.534 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CC[C@](F)(c2ccccc2)C1 ZINC000580217679 1018800631 /nfs/dbraw/zinc/80/06/31/1018800631.db2.gz WKPMKAWUYMIMAR-QGZVFWFLSA-N -1 0 337.753 3.896 20 0 EHADRM C[C@H](Oc1cccc(C(=O)/C=C/c2ccc(O)c(Cl)c2)c1)C(=O)[O-] ZINC000062692638 1032787383 /nfs/dbraw/zinc/78/73/83/1032787383.db2.gz QGOWAMGFTTWCHY-ZRQQLDRUSA-N -1 0 346.766 3.794 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])cc1)[C@H](CCc1ccccc1)C(F)F ZINC000630305281 1018839832 /nfs/dbraw/zinc/83/98/32/1018839832.db2.gz OWMJHUDVMWZHLJ-MRXNPFEDSA-N -1 0 347.361 3.723 20 0 EHADRM CCCOc1cncc(-c2cccc(C(=O)C[C@@H](C)C(=O)[O-])c2)c1 ZINC000580330656 1019046099 /nfs/dbraw/zinc/04/60/99/1019046099.db2.gz QIRMEGMXGVROPB-CYBMUJFWSA-N -1 0 327.380 3.831 20 0 EHADRM CCCOc1ccc(S(=O)(=O)[N-]c2cc(CC)ccc2O)cc1 ZINC000433528883 1019083308 /nfs/dbraw/zinc/08/33/08/1019083308.db2.gz GFIZMNDOEJFMRA-UHFFFAOYSA-N -1 0 335.425 3.544 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc3cc[nH]c3cn2)s1 ZINC000656186469 1019125107 /nfs/dbraw/zinc/12/51/07/1019125107.db2.gz AXZKZGLUJISRFZ-UHFFFAOYSA-N -1 0 335.454 3.723 20 0 EHADRM O=C([O-])c1ccccc1Nc1cccc(C(=O)Nc2cccnc2)c1 ZINC001210969515 1019149801 /nfs/dbraw/zinc/14/98/01/1019149801.db2.gz SHRLXNNTOVISKL-UHFFFAOYSA-N -1 0 333.347 3.776 20 0 EHADRM [O-]c1c(Cl)nccc1-c1nc(-c2ccc(C(F)(F)F)nc2)no1 ZINC001214066168 1019165201 /nfs/dbraw/zinc/16/52/01/1019165201.db2.gz VEOUFADELYLYGA-UHFFFAOYSA-N -1 0 342.664 3.571 20 0 EHADRM C[C@H]1CN(Cc2ccc(C(=O)[O-])c(Cl)c2)CC2(CCCCC2)O1 ZINC000656192124 1019170969 /nfs/dbraw/zinc/17/09/69/1019170969.db2.gz MFNRIYJSJSSBAH-ZDUSSCGKSA-N -1 0 337.847 3.962 20 0 EHADRM C=C(Nc1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1)c1ccccc1 ZINC001210989115 1019171803 /nfs/dbraw/zinc/17/18/03/1019171803.db2.gz FHVMMUYQUYVROQ-UHFFFAOYSA-N -1 0 341.388 3.875 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NCc1cnn(-c2ccc(F)cc2)c1 ZINC000340685553 1019310600 /nfs/dbraw/zinc/31/06/00/1019310600.db2.gz ZWPXUWSNOSDTDY-UHFFFAOYSA-N -1 0 339.370 3.939 20 0 EHADRM CC(C)C[C@H](NC(=O)Nc1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000580469499 1019420497 /nfs/dbraw/zinc/42/04/97/1019420497.db2.gz JOQUJCNLNYKVFN-ZDUSSCGKSA-N -1 0 346.349 3.802 20 0 EHADRM C[C@@H](CNC(=O)[C@@H](Sc1ccccc1)c1ccccc1)CC(=O)[O-] ZINC000262155278 1019550065 /nfs/dbraw/zinc/55/00/65/1019550065.db2.gz MHEXGGMTHJFHIQ-KDOFPFPSSA-N -1 0 343.448 3.747 20 0 EHADRM O=C([O-])[C@H]1CC[C@@H]1C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000262158296 1019551608 /nfs/dbraw/zinc/55/16/08/1019551608.db2.gz PPQPBDCDFSKTGL-IRXDYDNUSA-N -1 0 331.412 3.585 20 0 EHADRM C[C@H](CNC(=O)CCCc1cc(Cl)sc1Cl)CC(=O)[O-] ZINC000262254232 1019575109 /nfs/dbraw/zinc/57/51/09/1019575109.db2.gz SPYZTBBLNMSLQJ-QMMMGPOBSA-N -1 0 338.256 3.605 20 0 EHADRM C[C@H](Oc1ccccc1NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000262683693 1019706009 /nfs/dbraw/zinc/70/60/09/1019706009.db2.gz XLGAKUAKYVABQF-IMJJTQAJSA-N -1 0 339.391 3.876 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000262914684 1019764423 /nfs/dbraw/zinc/76/44/23/1019764423.db2.gz JXXXDGKLAYBSMO-MVWJERBFSA-N -1 0 342.222 3.563 20 0 EHADRM COc1cc(NC(=O)[C@H]2C[C@H]2c2sccc2C)ccc1C(=O)[O-] ZINC000262950545 1019775117 /nfs/dbraw/zinc/77/51/17/1019775117.db2.gz MTTVJJNTHYYTJH-OLZOCXBDSA-N -1 0 331.393 3.506 20 0 EHADRM Cc1cccc(OCCCCC(=O)N2CC[C@](C(=O)[O-])(C(C)C)C2)c1 ZINC000262996626 1019785049 /nfs/dbraw/zinc/78/50/49/1019785049.db2.gz VXSRPGMCESSKKN-HXUWFJFHSA-N -1 0 347.455 3.503 20 0 EHADRM O=C([O-])CCCCCCNC(=O)C1(Cc2ccccc2Cl)CC1 ZINC000263041938 1019797415 /nfs/dbraw/zinc/79/74/15/1019797415.db2.gz DSITVRPLMIFOEY-UHFFFAOYSA-N -1 0 337.847 3.814 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000263040072 1019798312 /nfs/dbraw/zinc/79/83/12/1019798312.db2.gz RKOZYEUIQMNULO-CJNGLKHVSA-N -1 0 345.361 3.728 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1C[C@@H]1c1sccc1C ZINC000263055579 1019802862 /nfs/dbraw/zinc/80/28/62/1019802862.db2.gz WUGZCAFRTINDDL-RYUDHWBXSA-N -1 0 331.393 3.506 20 0 EHADRM Cc1cc(CCCC(=O)N2CC[C@](C(=O)[O-])(C(C)C)C2)c(C)s1 ZINC000263112026 1019818514 /nfs/dbraw/zinc/81/85/14/1019818514.db2.gz WOBCSCJWRAUDEF-GOSISDBHSA-N -1 0 337.485 3.647 20 0 EHADRM Cc1cc(C(=O)N[C@H](C)[C@H](C)C(=O)[O-])c(C)n1[C@H](C)c1ccccc1 ZINC000263439074 1019905094 /nfs/dbraw/zinc/90/50/94/1019905094.db2.gz MADHTMOXNPTGGT-RRFJBIMHSA-N -1 0 342.439 3.553 20 0 EHADRM C[C@@H](NC(=O)c1ccc(CSc2ccccc2)cc1)[C@@H](C)C(=O)[O-] ZINC000263459926 1019909777 /nfs/dbraw/zinc/90/97/77/1019909777.db2.gz PTYYLSKZLCRLLH-ZIAGYGMSSA-N -1 0 343.448 3.818 20 0 EHADRM Cc1cc(C(=O)N=c2ncn(C(C)(C)C)[n-]2)sc1-c1ccccc1 ZINC000580722993 1019913871 /nfs/dbraw/zinc/91/38/71/1019913871.db2.gz MGLNGUSNVVXGGO-UHFFFAOYSA-N -1 0 340.452 3.744 20 0 EHADRM CCn1nc(C)c([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)c1C ZINC000014227617 1019932940 /nfs/dbraw/zinc/93/29/40/1019932940.db2.gz QGRMQWMVZSTHKB-UHFFFAOYSA-N -1 0 335.473 3.554 20 0 EHADRM Cc1cc(Cl)ccc1OCC(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000058072498 1019945444 /nfs/dbraw/zinc/94/54/44/1019945444.db2.gz UNQLOLSDQHGOAR-UHFFFAOYSA-N -1 0 345.848 3.646 20 0 EHADRM CC(C)COc1ccc(C(C)(C)C(=O)[N-]OCc2cccnc2)cc1 ZINC000155868285 1020088642 /nfs/dbraw/zinc/08/86/42/1020088642.db2.gz NCQMVHPVVXEBRP-UHFFFAOYSA-N -1 0 342.439 3.642 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1c[nH]c2ncccc12 ZINC000345508216 1020307304 /nfs/dbraw/zinc/30/73/04/1020307304.db2.gz SPJHOTATSBHQPY-UHFFFAOYSA-N -1 0 342.207 3.671 20 0 EHADRM Cc1ccc(-c2cc(F)ccc2OC[C@@H]2CCOC2)cc1C(=O)[O-] ZINC000580962168 1020308187 /nfs/dbraw/zinc/30/81/87/1020308187.db2.gz BKOOXTARHMETGH-CYBMUJFWSA-N -1 0 330.355 3.915 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)C1(c2ccccc2F)CC1 ZINC000160744589 1020385409 /nfs/dbraw/zinc/38/54/09/1020385409.db2.gz ZRGFYDNYNVWXOD-UHFFFAOYSA-N -1 0 328.368 3.926 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])C[N@@H+]1Cc1ccc(Cl)cc1Br ZINC000263461974 1020397837 /nfs/dbraw/zinc/39/78/37/1020397837.db2.gz BYHNWWPHOIUCHQ-ONGXEEELSA-N -1 0 346.652 3.788 20 0 EHADRM CC(C)n1ncc2cc(C(=O)Nc3cc(Cl)c([O-])cc3F)cnc21 ZINC000345656326 1020429465 /nfs/dbraw/zinc/42/94/65/1020429465.db2.gz NDZKLUNEPNEMGS-UHFFFAOYSA-N -1 0 348.765 3.763 20 0 EHADRM O=C(Cc1cnn(-c2ccccc2)c1)Nc1cc(Cl)c([O-])cc1F ZINC000345685342 1020451995 /nfs/dbraw/zinc/45/19/95/1020451995.db2.gz WDHLBHLZNYUDTG-UHFFFAOYSA-N -1 0 345.761 3.552 20 0 EHADRM COC(=O)c1[n-]c(=N[C@H](C)c2nc(C(C)(C)C)cs2)sc1C ZINC000434100124 1020479490 /nfs/dbraw/zinc/47/94/90/1020479490.db2.gz PRXMFQWQQRULIZ-MRVPVSSYSA-N -1 0 339.486 3.587 20 0 EHADRM CC(C)[C@H](C(=O)[O-])[S@](=O)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000581175833 1020502315 /nfs/dbraw/zinc/50/23/15/1020502315.db2.gz YTGOWPQFESKZSM-DGGJZMOXSA-N -1 0 334.412 3.773 20 0 EHADRM CN(CC(C)(C)O)C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000156045449 1020532752 /nfs/dbraw/zinc/53/27/52/1020532752.db2.gz UYHKVPWOHULPQH-UHFFFAOYSA-N -1 0 333.815 3.556 20 0 EHADRM CCOc1cccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000345890750 1020591150 /nfs/dbraw/zinc/59/11/50/1020591150.db2.gz RSTFEVDDNXODNF-MRXNPFEDSA-N -1 0 347.798 3.685 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc2cc[nH]c2c1)c1ccc(Cl)cc1 ZINC000345903962 1020600228 /nfs/dbraw/zinc/60/02/28/1020600228.db2.gz JLWMQZLYZQRABH-MRXNPFEDSA-N -1 0 342.782 3.767 20 0 EHADRM CCC[C@@H](CC(C)C)C(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)ccc1C ZINC000581262711 1020601454 /nfs/dbraw/zinc/60/14/54/1020601454.db2.gz QXCKMJWRHNKYEI-AWEZNQCLSA-N -1 0 330.432 3.887 20 0 EHADRM O=C([O-])c1sc2ccsc2c1CNC(=O)[C@@H]1Cc2ccccc21 ZINC000345912004 1020606093 /nfs/dbraw/zinc/60/60/93/1020606093.db2.gz WHSLDZSWSMBEME-LLVKDONJSA-N -1 0 343.429 3.617 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2ccc(F)c3ccccc23)C1 ZINC000326003470 1020680896 /nfs/dbraw/zinc/68/08/96/1020680896.db2.gz GUMDLRJQBYLVMV-CYBMUJFWSA-N -1 0 329.371 3.696 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2cccc(Br)c2F)CCC1 ZINC000656485368 1020704838 /nfs/dbraw/zinc/70/48/38/1020704838.db2.gz MBVSWUDKEKTEGJ-UHFFFAOYSA-N -1 0 344.180 3.562 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000656484644 1020706262 /nfs/dbraw/zinc/70/62/62/1020706262.db2.gz USKGLZAAECMRSU-WDEREUQCSA-N -1 0 325.817 3.667 20 0 EHADRM CC(C)(C)CCOc1cnccc1CN=c1[n-]nc(C(F)F)s1 ZINC000340971222 1020711278 /nfs/dbraw/zinc/71/12/78/1020711278.db2.gz FLAQHOPFPQLOJU-UHFFFAOYSA-N -1 0 342.415 3.720 20 0 EHADRM COc1cccc(/C=C(\CC(=O)[O-])c2nc3ccccc3o2)c1F ZINC000669644415 1032938282 /nfs/dbraw/zinc/93/82/82/1032938282.db2.gz UILAEBZUKCQNKU-FMIVXFBMSA-N -1 0 327.311 3.991 20 0 EHADRM CC(C)c1nc(/C=C/c2cnc(-c3ccccc3)nc2)ncc1C(=O)[O-] ZINC000607010059 1032942688 /nfs/dbraw/zinc/94/26/88/1032942688.db2.gz RJQGQWKUNHLMPR-CMDGGOBGSA-N -1 0 346.390 3.926 20 0 EHADRM C[C@H](c1ccccc1)[C@@H](NCc1csc(C(C)(C)C)n1)C(=O)[O-] ZINC000656569291 1020931011 /nfs/dbraw/zinc/93/10/11/1020931011.db2.gz NPMAMXKFUPMNTM-IUODEOHRSA-N -1 0 332.469 3.787 20 0 EHADRM CC(C)c1scnc1[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000341089019 1020960057 /nfs/dbraw/zinc/96/00/57/1020960057.db2.gz IRGXMCZVCKDJHY-UHFFFAOYSA-N -1 0 333.438 3.616 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)NCc1ccc(Cl)c(Cl)c1)C1CCC1 ZINC000656597566 1020980114 /nfs/dbraw/zinc/98/01/14/1020980114.db2.gz SIQFGUOPZIYBML-VIFPVBQESA-N -1 0 345.226 3.531 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000581498523 1021019380 /nfs/dbraw/zinc/01/93/80/1021019380.db2.gz AXGQAVIVUHBXKX-ZDUSSCGKSA-N -1 0 346.427 3.645 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000255323287 1021095921 /nfs/dbraw/zinc/09/59/21/1021095921.db2.gz BIWARZOPVRAVGD-QOHRORDFSA-N -1 0 335.469 3.710 20 0 EHADRM CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1c(C)ccc2cccnc21 ZINC000785052791 1021179855 /nfs/dbraw/zinc/17/98/55/1021179855.db2.gz RTAUKLFSZRZAGX-CQSZACIVSA-N -1 0 348.468 3.565 20 0 EHADRM Cn1cc(-c2noc(-c3ccc(Cl)cc3[O-])n2)c(C(F)(F)F)n1 ZINC000436775490 1021205084 /nfs/dbraw/zinc/20/50/84/1021205084.db2.gz PYMLXRPZTCAJPK-UHFFFAOYSA-N -1 0 344.680 3.515 20 0 EHADRM COCc1ccccc1CNC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000436763625 1021210182 /nfs/dbraw/zinc/21/01/82/1021210182.db2.gz YLNXGVIFUHJFBD-UHFFFAOYSA-N -1 0 340.206 3.775 20 0 EHADRM O=C(NCc1ccc(F)c(F)c1)c1c([O-])cc(Cl)cc1Cl ZINC000436763343 1021211229 /nfs/dbraw/zinc/21/12/29/1021211229.db2.gz XFLGUSGFPACQQI-UHFFFAOYSA-N -1 0 332.133 3.907 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000436783106 1021223473 /nfs/dbraw/zinc/22/34/73/1021223473.db2.gz QKLYQUOBVDHGDN-UHFFFAOYSA-N -1 0 342.345 3.740 20 0 EHADRM Cc1sc(/C=C/c2ccc(O)c(Br)c2)nc1C(=O)[O-] ZINC000436782892 1021224001 /nfs/dbraw/zinc/22/40/01/1021224001.db2.gz JQEMRXKPRKQQQX-HWKANZROSA-N -1 0 340.198 3.788 20 0 EHADRM CCc1ccc(C)nc1[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000656737433 1021230189 /nfs/dbraw/zinc/23/01/89/1021230189.db2.gz FWQYJXNOEGNMOZ-UHFFFAOYSA-N -1 0 342.823 3.854 20 0 EHADRM CCCCC[C@@H]1CCCN1C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000427213343 1021238298 /nfs/dbraw/zinc/23/82/98/1021238298.db2.gz UVATXPVJPQPOOO-MRXNPFEDSA-N -1 0 341.455 3.659 20 0 EHADRM CO[C@H]1CCOc2c(NC(=O)c3ccc(Cl)cc3[O-])cccc21 ZINC000436810262 1021254544 /nfs/dbraw/zinc/25/45/44/1021254544.db2.gz WXZZEWRIVWOUPZ-HNNXBMFYSA-N -1 0 333.771 3.768 20 0 EHADRM c1onc(Cc2ccccc2)c1CN=c1[n-]nc(C2CCCCC2)o1 ZINC000581649219 1021259895 /nfs/dbraw/zinc/25/98/95/1021259895.db2.gz CWFIODBXZKZZEO-UHFFFAOYSA-N -1 0 338.411 3.730 20 0 EHADRM CN(C(=O)c1cc(Cl)c2ccccc2c1[O-])[C@@H]1CCCC[C@H]1O ZINC000436833589 1021267833 /nfs/dbraw/zinc/26/78/33/1021267833.db2.gz KCQHAQYGIXADOO-HZPDHXFCSA-N -1 0 333.815 3.574 20 0 EHADRM COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1c([O-])cccc1F ZINC000436823018 1021274307 /nfs/dbraw/zinc/27/43/07/1021274307.db2.gz RZGQJRKJEXXOJI-CQSZACIVSA-N -1 0 337.778 3.644 20 0 EHADRM COc1cccc([C@@H]2C[C@H](C)CN2C(=O)c2ccc(C)cc2O)c1 ZINC000436841279 1021284364 /nfs/dbraw/zinc/28/43/64/1021284364.db2.gz YNDPFGWJBUMQCF-KSSFIOAISA-N -1 0 325.408 3.933 20 0 EHADRM O=C(c1cc(F)cc(Br)c1[O-])N1C[C@@H]2CCCC[C@H]2C1 ZINC000436846679 1021292231 /nfs/dbraw/zinc/29/22/31/1021292231.db2.gz CLBMXDQZPZAAKC-UWVGGRQHSA-N -1 0 342.208 3.556 20 0 EHADRM CC1(C)CO[C@@H](c2cccc(F)c2)CN1Cc1ccc(C(=O)[O-])s1 ZINC000656764849 1021296817 /nfs/dbraw/zinc/29/68/17/1021296817.db2.gz FPKIPXZSAUBDDD-OAHLLOKOSA-N -1 0 349.427 3.938 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000436870554 1021311077 /nfs/dbraw/zinc/31/10/77/1021311077.db2.gz NTFDBBSIIXKKOT-UHFFFAOYSA-N -1 0 337.297 3.795 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2ccc(-c3ccco3)nc2C)c1 ZINC000436875339 1021318396 /nfs/dbraw/zinc/31/83/96/1021318396.db2.gz XTLBMYIZQSRVFQ-UHFFFAOYSA-N -1 0 336.347 3.811 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)c1 ZINC000436875002 1021319598 /nfs/dbraw/zinc/31/95/98/1021319598.db2.gz XHEKWRPNINBCEW-QWHCGFSZSA-N -1 0 331.318 3.615 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)c1 ZINC000436874999 1021319841 /nfs/dbraw/zinc/31/98/41/1021319841.db2.gz XHEKWRPNINBCEW-CHWSQXEVSA-N -1 0 331.318 3.615 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cc(F)c(F)cc2Cl)c1 ZINC000436876817 1021324211 /nfs/dbraw/zinc/32/42/11/1021324211.db2.gz KWIZDKRFTRVHGS-UHFFFAOYSA-N -1 0 325.698 3.779 20 0 EHADRM O=C(c1cccc(Br)c1[O-])N1CCC[C@H]1c1cccnc1 ZINC000518572528 1021329173 /nfs/dbraw/zinc/32/91/73/1021329173.db2.gz UPBKFDUPXORPTJ-AWEZNQCLSA-N -1 0 347.212 3.527 20 0 EHADRM CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000436882214 1021333637 /nfs/dbraw/zinc/33/36/37/1021333637.db2.gz YCWAWLVBFHVAIF-UHFFFAOYSA-N -1 0 341.388 3.549 20 0 EHADRM O=C(c1cc(F)cc(Br)c1[O-])N1CCC[C@H]2CCC[C@H]21 ZINC000436884471 1021336154 /nfs/dbraw/zinc/33/61/54/1021336154.db2.gz DBDQXEMDYMMUCA-NOZJJQNGSA-N -1 0 342.208 3.699 20 0 EHADRM C[C@H](N(C)C(=O)c1cc(F)cc(Br)c1[O-])C1(C)CC1 ZINC000436888742 1021341523 /nfs/dbraw/zinc/34/15/23/1021341523.db2.gz OMEYPGPMIWHRSO-QMMMGPOBSA-N -1 0 330.197 3.554 20 0 EHADRM Cc1cnccc1C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000436904946 1021349806 /nfs/dbraw/zinc/34/98/06/1021349806.db2.gz RIMHCLXFGOPDLH-UHFFFAOYSA-N -1 0 341.592 3.764 20 0 EHADRM COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436907452 1021353589 /nfs/dbraw/zinc/35/35/89/1021353589.db2.gz GFHDLCODIYBAMK-YJBOKZPZSA-N -1 0 349.789 3.653 20 0 EHADRM COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436907449 1021354901 /nfs/dbraw/zinc/35/49/01/1021354901.db2.gz GFHDLCODIYBAMK-CRAIPNDOSA-N -1 0 349.789 3.653 20 0 EHADRM Cc1cc(C(=O)Nc2cc(F)cc(Cl)c2[O-])nn1-c1ccccc1 ZINC000436901498 1021364717 /nfs/dbraw/zinc/36/47/17/1021364717.db2.gz BNJRHHACFMFJFS-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM Cn1cc(/C=C(\CC(=O)[O-])c2nc3cc(Cl)ccc3s2)cn1 ZINC000518603018 1021365597 /nfs/dbraw/zinc/36/55/97/1021365597.db2.gz WQUHHWRJZKNPLJ-ONNFQVAWSA-N -1 0 333.800 3.699 20 0 EHADRM O=C([O-])c1nc(/C=C\c2ccc(O)c(F)c2)sc1Br ZINC000436930936 1021367271 /nfs/dbraw/zinc/36/72/71/1021367271.db2.gz IFLLAZHUOVGFIM-RQOWECAXSA-N -1 0 344.161 3.619 20 0 EHADRM Cc1cc(-c2ccc(C(=O)[O-])[nH]2)nc2ccc(Br)cc12 ZINC000427449501 1021408709 /nfs/dbraw/zinc/40/87/09/1021408709.db2.gz HTRYYNSFIPKIBI-UHFFFAOYSA-N -1 0 331.169 3.999 20 0 EHADRM Cc1c(NC(=O)c2cc(F)c([O-])c(Cl)c2)cnn1-c1ccccc1 ZINC000436963090 1021410046 /nfs/dbraw/zinc/41/00/46/1021410046.db2.gz NQSONVWXNIOEON-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM Cc1ccc([C@@H]2CSCCN2C(=O)c2c([O-])cccc2F)cc1 ZINC000436952104 1021416253 /nfs/dbraw/zinc/41/62/53/1021416253.db2.gz VMOLXTYTQFFYQZ-HNNXBMFYSA-N -1 0 331.412 3.770 20 0 EHADRM CCOC(=O)Cc1cccc(NC(=O)c2cc3ccccc3cc2O)c1 ZINC000436958112 1021421788 /nfs/dbraw/zinc/42/17/88/1021421788.db2.gz ZIOOMTSBSRIWHW-UHFFFAOYSA-N -1 0 349.386 3.903 20 0 EHADRM Oc1ccc(CCN=c2[n-]nc(-c3ccccc3Cl)s2)cc1 ZINC000436971954 1021427007 /nfs/dbraw/zinc/42/70/07/1021427007.db2.gz QLBRGFZWDSQHLS-UHFFFAOYSA-N -1 0 331.828 3.641 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)c2nn(-c3ccccc3)cc2[O-])c1C ZINC000439444287 1021443416 /nfs/dbraw/zinc/44/34/16/1021443416.db2.gz WWNPBLFYNAFPFI-HNNXBMFYSA-N -1 0 335.407 3.686 20 0 EHADRM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1c([O-])cccc1F)[C@@H]2C ZINC000436992492 1021448463 /nfs/dbraw/zinc/44/84/63/1021448463.db2.gz ZLCXVRIDEJCKDE-NWDGAFQWSA-N -1 0 329.371 3.688 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000436985374 1021455371 /nfs/dbraw/zinc/45/53/71/1021455371.db2.gz OPQNJTGFURCLQE-LLVKDONJSA-N -1 0 337.753 3.954 20 0 EHADRM CO[C@]1(C)CCCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C1 ZINC000437006210 1021463270 /nfs/dbraw/zinc/46/32/70/1021463270.db2.gz ZQFPQNDLHWQYLN-GOSISDBHSA-N -1 0 333.815 3.840 20 0 EHADRM C[C@@H](NC(=O)[C@H](C)C(=O)[O-])c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000656851922 1021484981 /nfs/dbraw/zinc/48/49/81/1021484981.db2.gz RZIMCUPIVXZOQF-ZNMIVQPWSA-N -1 0 341.407 3.725 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC2CC2)cc1 ZINC000607104027 1032986160 /nfs/dbraw/zinc/98/61/60/1032986160.db2.gz MYGXXUOTPWXKMU-UHFFFAOYSA-N -1 0 349.427 3.978 20 0 EHADRM COCCCC[C@H](N=c1nc(C(F)(F)F)[n-]s1)c1ccccc1 ZINC000516557523 1021557810 /nfs/dbraw/zinc/55/78/10/1021557810.db2.gz SCLFILUIOAOPHK-LBPRGKRZSA-N -1 0 345.390 3.949 20 0 EHADRM O=C(N=c1nc(-c2ccsc2)[n-]s1)N1CC[C@H](C2CCCC2)C1 ZINC000519637670 1021590732 /nfs/dbraw/zinc/59/07/32/1021590732.db2.gz GMCKVLNEJDLWGK-LBPRGKRZSA-N -1 0 348.497 3.733 20 0 EHADRM CC(C)Cc1nnc([N-]S(=O)(=O)c2cccc(C(C)C)c2)s1 ZINC000437186857 1021630928 /nfs/dbraw/zinc/63/09/28/1021630928.db2.gz WOBUQWSULJGDDX-UHFFFAOYSA-N -1 0 339.486 3.661 20 0 EHADRM COCc1nc(=NCc2sc3ccc(Cl)cc3c2C)s[n-]1 ZINC000440647052 1021689399 /nfs/dbraw/zinc/68/93/99/1021689399.db2.gz GQYCJXQGPCBPGI-UHFFFAOYSA-N -1 0 339.873 3.895 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cn2)c(F)c1 ZINC000437307094 1021719582 /nfs/dbraw/zinc/71/95/82/1021719582.db2.gz PNSIPVSBSROHBP-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CCc1cnc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)s1 ZINC000437321925 1021730096 /nfs/dbraw/zinc/73/00/96/1021730096.db2.gz HUJWYMLSYHTSQO-UHFFFAOYSA-N -1 0 337.253 3.813 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cn2)c(C)s1 ZINC000437334120 1021745726 /nfs/dbraw/zinc/74/57/26/1021745726.db2.gz FAMZVIAEEILMCJ-UHFFFAOYSA-N -1 0 337.253 3.868 20 0 EHADRM CCC(CC)(CC(=O)NCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000519893973 1021753720 /nfs/dbraw/zinc/75/37/20/1021753720.db2.gz NGJZYIMYWURFBB-UHFFFAOYSA-N -1 0 332.227 3.891 20 0 EHADRM C=C(C)COc1cccc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000066965654 1021775060 /nfs/dbraw/zinc/77/50/60/1021775060.db2.gz ORDUDMJOIGERJG-GOSISDBHSA-N -1 0 339.391 3.839 20 0 EHADRM CCCC[C@@H](CCC)CNC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000440813300 1021787480 /nfs/dbraw/zinc/78/74/80/1021787480.db2.gz APGNLFPSQURCIX-MRXNPFEDSA-N -1 0 343.471 3.810 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)N[C@@H](CC(=O)[O-])C2CCCCC2)cc1 ZINC000439902668 1021800905 /nfs/dbraw/zinc/80/09/05/1021800905.db2.gz NGSWXEFFZCQFHJ-YJBOKZPZSA-N -1 0 331.456 3.713 20 0 EHADRM CCOc1ccc(C[C@H](CNC(=O)C(C)(C)CC(C)C)C(=O)[O-])cc1 ZINC000439926169 1021832389 /nfs/dbraw/zinc/83/23/89/1021832389.db2.gz VVAORLRRFARVRL-MRXNPFEDSA-N -1 0 349.471 3.517 20 0 EHADRM CC(C)c1ccc(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])s1 ZINC000439941612 1021835658 /nfs/dbraw/zinc/83/56/58/1021835658.db2.gz GCXDZOFVHSXNHL-CYBMUJFWSA-N -1 0 349.427 3.684 20 0 EHADRM COc1ccc(C2(CN=c3[n-]nc(C)s3)CCCCC2)cc1OC ZINC000607146254 1033012943 /nfs/dbraw/zinc/01/29/43/1033012943.db2.gz IGNKCGHEZCRDKV-UHFFFAOYSA-N -1 0 347.484 3.600 20 0 EHADRM CC(C)CCc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000520078572 1021914061 /nfs/dbraw/zinc/91/40/61/1021914061.db2.gz CMCWZGCIMGNGHK-UHFFFAOYSA-N -1 0 347.436 3.774 20 0 EHADRM CCCc1nc(C)c([N-]S(=O)(=O)c2cc3ccccc3o2)s1 ZINC000548270295 1021974131 /nfs/dbraw/zinc/97/41/31/1021974131.db2.gz BXQYMOYVYQBFRX-UHFFFAOYSA-N -1 0 336.438 3.951 20 0 EHADRM CC[C@H](Cc1ccccc1)N(C)C(=O)N=c1[n-]nc(CC(C)C)s1 ZINC000437591902 1021981418 /nfs/dbraw/zinc/98/14/18/1021981418.db2.gz KDOTUGREZUQUNR-OAHLLOKOSA-N -1 0 346.500 3.644 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000520222467 1022040277 /nfs/dbraw/zinc/04/02/77/1022040277.db2.gz KPRZCBPBLCBGNN-JTQLQIEISA-N -1 0 347.440 3.645 20 0 EHADRM COc1ccc(-c2n[n-]c(=NC[C@H](C)c3nc(C)cs3)s2)cc1 ZINC000519375222 1022046219 /nfs/dbraw/zinc/04/62/19/1022046219.db2.gz XUGJGNYYKHLTHI-JTQLQIEISA-N -1 0 346.481 3.616 20 0 EHADRM COc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cc(C)cnc1C ZINC000650489173 1022071795 /nfs/dbraw/zinc/07/17/95/1022071795.db2.gz CXBJGUCJHADOCR-UHFFFAOYSA-N -1 0 348.468 3.805 20 0 EHADRM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000440295730 1022072881 /nfs/dbraw/zinc/07/28/81/1022072881.db2.gz NTMXFWWLAXDBLC-UHFFFAOYSA-N -1 0 347.436 3.518 20 0 EHADRM CCc1ccnc(CNC(=O)c2c([O-])cc(Cl)cc2Cl)c1 ZINC000437724143 1022084030 /nfs/dbraw/zinc/08/40/30/1022084030.db2.gz KYJOKZLKWUMBRC-UHFFFAOYSA-N -1 0 325.195 3.586 20 0 EHADRM O=C(CCCCCc1ccc(F)cc1)Nc1n[nH]c(C(F)(F)F)n1 ZINC000426642787 1022126287 /nfs/dbraw/zinc/12/62/87/1022126287.db2.gz LEWQMIJEWUXQSD-UHFFFAOYSA-N -1 0 344.312 3.704 20 0 EHADRM CCCCc1noc(CSc2nc(-c3ccccc3)cc(=O)[nH]2)n1 ZINC000022611067 1022155115 /nfs/dbraw/zinc/15/51/15/1022155115.db2.gz YSJHHXFUTOAJCN-UHFFFAOYSA-N -1 0 342.424 3.867 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)C1(c2ccc(Cl)cc2)CC1 ZINC000440400872 1022167730 /nfs/dbraw/zinc/16/77/30/1022167730.db2.gz BOXHZNGYHZQMNU-UHFFFAOYSA-N -1 0 349.821 3.889 20 0 EHADRM O=C(Cc1c(F)cccc1Cl)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000440416186 1022177082 /nfs/dbraw/zinc/17/70/82/1022177082.db2.gz URYCUHZCLCZSNS-UHFFFAOYSA-N -1 0 341.773 3.539 20 0 EHADRM CCSc1n[n-]c(=NC(=O)c2ccc(O[C@H](C)CC)cc2)s1 ZINC000425928949 1022238725 /nfs/dbraw/zinc/23/87/25/1022238725.db2.gz WOYQXXGJWJKAGP-SNVBAGLBSA-N -1 0 337.470 3.502 20 0 EHADRM Cc1cc(C(=O)N[C@H](CC(=O)[O-])C2CCCCC2)c(C)n1C1CC1 ZINC000345976567 1022242400 /nfs/dbraw/zinc/24/24/00/1022242400.db2.gz JVGGIZDCDIBOTP-QGZVFWFLSA-N -1 0 332.444 3.593 20 0 EHADRM COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000517360503 1022269348 /nfs/dbraw/zinc/26/93/48/1022269348.db2.gz MAMHKMRGCINBDC-UHFFFAOYSA-N -1 0 349.452 3.900 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)c1 ZINC000124737955 1022359882 /nfs/dbraw/zinc/35/98/82/1022359882.db2.gz OQBJGTDZTUAJGX-UHFFFAOYSA-N -1 0 349.839 3.968 20 0 EHADRM CCCOc1ccc(NC(=O)N[C@@H](CC2CC2)C(=O)[O-])cc1Cl ZINC000581922146 1022400481 /nfs/dbraw/zinc/40/04/81/1022400481.db2.gz NBOIYEYQWYMCCT-ZDUSSCGKSA-N -1 0 340.807 3.504 20 0 EHADRM CCc1nc(=O)c2sc(-c3cccc(Br)c3)cc2[n-]1 ZINC000049068757 1022436040 /nfs/dbraw/zinc/43/60/40/1022436040.db2.gz BIDWIOOTOCECRT-UHFFFAOYSA-N -1 0 335.226 3.977 20 0 EHADRM C[C@@H]1C[C@@H](C)N(C(=O)N=c2[n-]nc(SCc3ccccc3)s2)C1 ZINC000607194539 1033052225 /nfs/dbraw/zinc/05/22/25/1033052225.db2.gz WYNVILIWOWQKSG-VXGBXAGGSA-N -1 0 348.497 3.515 20 0 EHADRM O=C(Nc1cc(Cl)cc(Br)c1[O-])C1CCC(=O)CC1 ZINC000330489040 1022590765 /nfs/dbraw/zinc/59/07/65/1022590765.db2.gz JTGPUIOPPRUJMQ-UHFFFAOYSA-N -1 0 346.608 3.506 20 0 EHADRM O=C(Nc1cc(Cl)ccc1O)c1ccc(Br)cc1[O-] ZINC000049449099 1022593981 /nfs/dbraw/zinc/59/39/81/1022593981.db2.gz HSIUJNXODBCNOA-UHFFFAOYSA-N -1 0 342.576 3.766 20 0 EHADRM CC[C@H]1CC[C@H](C(=O)Nc2cc(Cl)cc(Br)c2[O-])O1 ZINC000330498114 1022596957 /nfs/dbraw/zinc/59/69/57/1022596957.db2.gz ZTNQXBNFKAXPPR-GZMMTYOYSA-N -1 0 348.624 3.704 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655580280 1022615208 /nfs/dbraw/zinc/61/52/08/1022615208.db2.gz KLQJTWIKOOZGGR-VHDGCEQUSA-N -1 0 343.423 3.915 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000517770551 1022635623 /nfs/dbraw/zinc/63/56/23/1022635623.db2.gz WMKNWKLHHLQGRV-GXTWGEPZSA-N -1 0 332.400 3.601 20 0 EHADRM O=S(=O)([N-]c1cccnc1Nc1ccccc1)c1ccc(F)cc1 ZINC000536308270 1022647579 /nfs/dbraw/zinc/64/75/79/1022647579.db2.gz DAEGAKRBWAHLCB-UHFFFAOYSA-N -1 0 343.383 3.765 20 0 EHADRM COc1ccc([C@@H](CCC(=O)[O-])[NH2+]Cc2cnc(C3CC3)s2)cc1 ZINC000669472581 1022666398 /nfs/dbraw/zinc/66/63/98/1022666398.db2.gz UOEBEYJUNUUTDZ-MRXNPFEDSA-N -1 0 346.452 3.725 20 0 EHADRM CCCc1nc(=NC(=O)[C@H](C)c2ccc(C(F)(F)F)cc2)s[n-]1 ZINC000409648004 1022710329 /nfs/dbraw/zinc/71/03/29/1022710329.db2.gz NTELBYWQVSRTJK-SECBINFHSA-N -1 0 343.374 3.674 20 0 EHADRM O=S(=O)([N-]C1(c2ccccc2)CCCC1)c1c(F)cccc1F ZINC000506255402 1022721766 /nfs/dbraw/zinc/72/17/66/1022721766.db2.gz SAAORANJVMPOMC-UHFFFAOYSA-N -1 0 337.391 3.713 20 0 EHADRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cccc(Cl)c2C)c1C ZINC000331093831 1022738841 /nfs/dbraw/zinc/73/88/41/1022738841.db2.gz KACMMDJAYQUQCA-SNVBAGLBSA-N -1 0 341.864 3.925 20 0 EHADRM CC(=O)c1ccc(C(=O)N2C[C@H](c3ccccc3C)C[C@H]2C)cc1O ZINC000331357540 1022800106 /nfs/dbraw/zinc/80/01/06/1022800106.db2.gz UBMJOMNLAJTKGS-RHSMWYFYSA-N -1 0 337.419 3.921 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)NCc2cccc(C)c2)s[n-]1 ZINC000473814450 1022843664 /nfs/dbraw/zinc/84/36/64/1022843664.db2.gz CKSLTDSCJHHGBR-UHFFFAOYSA-N -1 0 344.465 3.627 20 0 EHADRM O=S(=O)([N-]c1cc(C2CCCC2)[nH]n1)c1cccc(Cl)c1 ZINC000126820187 1022854258 /nfs/dbraw/zinc/85/42/58/1022854258.db2.gz WOFDSYIRGSDLPI-UHFFFAOYSA-N -1 0 325.821 3.522 20 0 EHADRM CC1CCC(CNC(=O)N=c2[n-]nc(-c3ccsc3)s2)CC1 ZINC000510669744 1022867051 /nfs/dbraw/zinc/86/70/51/1022867051.db2.gz VKIPPSWUWCUBEA-UHFFFAOYSA-N -1 0 336.486 3.636 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)N[C@H](C)CCC2CC2)s[n-]1 ZINC000473817685 1022877972 /nfs/dbraw/zinc/87/79/72/1022877972.db2.gz AMYZKOZQSGSRHO-SNVBAGLBSA-N -1 0 336.486 3.697 20 0 EHADRM O=C(Nc1ccc(Cl)cc1)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000550264403 1022934147 /nfs/dbraw/zinc/93/41/47/1022934147.db2.gz IIEJKBUIYSHSFD-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM COc1ccc(CC(C)(C)NC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000189067362 1022944495 /nfs/dbraw/zinc/94/44/95/1022944495.db2.gz MMYLHGNFCANJLC-UHFFFAOYSA-N -1 0 333.815 3.805 20 0 EHADRM Cc1nc(CNCc2ccc(-c3ccccc3)o2)sc1C(=O)[O-] ZINC000426678522 1022967123 /nfs/dbraw/zinc/96/71/23/1022967123.db2.gz QKUYUYLVFSBNKC-UHFFFAOYSA-N -1 0 328.393 3.700 20 0 EHADRM CN(Cc1sccc1Cl)Cc1nc(=O)c2sccc2[n-]1 ZINC000426152189 1022991744 /nfs/dbraw/zinc/99/17/44/1022991744.db2.gz GSGVMNVRUUTXMH-UHFFFAOYSA-N -1 0 325.846 3.744 20 0 EHADRM O=C([O-])Cc1ccccc1CNCc1csc(-c2ccccc2)n1 ZINC000426709337 1022995197 /nfs/dbraw/zinc/99/51/97/1022995197.db2.gz CBGNCFHBIHOPOQ-UHFFFAOYSA-N -1 0 338.432 3.727 20 0 EHADRM Cc1ncccc1CN[C@H](C(=O)[O-])c1c(Cl)cccc1Cl ZINC000426758946 1023029391 /nfs/dbraw/zinc/02/93/91/1023029391.db2.gz UWOASKLSROOTPM-AWEZNQCLSA-N -1 0 325.195 3.612 20 0 EHADRM O=C(Nc1ccc(C2CCC2)cc1)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000429608989 1023034454 /nfs/dbraw/zinc/03/44/54/1023034454.db2.gz HNCFMJZBGHEVNZ-UHFFFAOYSA-N -1 0 335.363 3.550 20 0 EHADRM Cc1ccc(-c2ccc(CN[C@@H](C(=O)[O-])c3ccc(O)cc3)o2)cc1 ZINC000426790165 1023047625 /nfs/dbraw/zinc/04/76/25/1023047625.db2.gz AZYNDPGGIDXKST-LJQANCHMSA-N -1 0 337.375 3.876 20 0 EHADRM O=C([O-])[C@@H](NCc1csc(-c2ccsc2)n1)c1ccsc1 ZINC000426790430 1023050767 /nfs/dbraw/zinc/05/07/67/1023050767.db2.gz DIQWOXYQBXXITA-LBPRGKRZSA-N -1 0 336.463 3.849 20 0 EHADRM COc1ccccc1[C@@H](NCc1ccc(C(C)(C)C)s1)C(=O)[O-] ZINC000426793274 1023051615 /nfs/dbraw/zinc/05/16/15/1023051615.db2.gz MWAJHMLYWAYJOG-MRXNPFEDSA-N -1 0 333.453 3.970 20 0 EHADRM O=C([O-])[C@@H](NCc1csc(-c2ccc(F)cc2)n1)c1cccs1 ZINC000426797429 1023053903 /nfs/dbraw/zinc/05/39/03/1023053903.db2.gz FSMZFAINDWQAHN-AWEZNQCLSA-N -1 0 348.424 3.926 20 0 EHADRM CCc1ccc([C@H](NCc2coc(-c3ccccc3)n2)C(=O)[O-])cc1 ZINC000426824774 1023069261 /nfs/dbraw/zinc/06/92/61/1023069261.db2.gz NYJMOLDELBWPQO-SFHVURJKSA-N -1 0 336.391 3.820 20 0 EHADRM CCc1cccc([N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)c1 ZINC000430981023 1023077241 /nfs/dbraw/zinc/07/72/41/1023077241.db2.gz IKRJHFKUFAZOSP-UHFFFAOYSA-N -1 0 333.306 3.606 20 0 EHADRM COc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000507018921 1023079825 /nfs/dbraw/zinc/07/98/25/1023079825.db2.gz CEVBXAAOKHKYKP-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2noc3ccccc32)s1 ZINC000438985385 1023192813 /nfs/dbraw/zinc/19/28/13/1023192813.db2.gz NLUMXTWJQFYCRS-UHFFFAOYSA-N -1 0 336.438 3.988 20 0 EHADRM CN(Cc1ccoc1)C(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000438998532 1023211019 /nfs/dbraw/zinc/21/10/19/1023211019.db2.gz JPWWYDVZFLTTLT-UHFFFAOYSA-N -1 0 344.592 3.673 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)cc1F ZINC000439058201 1023246102 /nfs/dbraw/zinc/24/61/02/1023246102.db2.gz UBZMKVLUDRAOTJ-UHFFFAOYSA-N -1 0 343.445 3.994 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2CC[C@@H](CC(C)C)C2)n1 ZINC000439101823 1023279365 /nfs/dbraw/zinc/27/93/65/1023279365.db2.gz PDAXHSAQZAAVDH-HNNXBMFYSA-N -1 0 341.455 3.649 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2c[nH]nc2-c2ccccc2)s1 ZINC000341774428 1023293441 /nfs/dbraw/zinc/29/34/41/1023293441.db2.gz GEBNDFHCCJQLJU-UHFFFAOYSA-N -1 0 333.438 3.501 20 0 EHADRM O=S(=O)([N-]c1c[nH]nc1-c1ccccc1)c1cccc(Cl)c1 ZINC000341778541 1023305312 /nfs/dbraw/zinc/30/53/12/1023305312.db2.gz ZLGMVPYCMYCWGU-UHFFFAOYSA-N -1 0 333.800 3.531 20 0 EHADRM CCn1ncc2ccc([N-]S(=O)(=O)c3sc(C)cc3C)cc21 ZINC000431154393 1023356121 /nfs/dbraw/zinc/35/61/21/1023356121.db2.gz VLFFQZDUPUJUIH-UHFFFAOYSA-N -1 0 335.454 3.535 20 0 EHADRM CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1N=c1nc(C2CC2)[n-]s1 ZINC000343799970 1033126056 /nfs/dbraw/zinc/12/60/56/1033126056.db2.gz BOBCIJSWAGYSFW-ARFHVFGLSA-N -1 0 329.469 3.601 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2sc(C)cc2C)cc1C ZINC000431162205 1023363773 /nfs/dbraw/zinc/36/37/73/1023363773.db2.gz HYZVEHFWMLPSNF-SNVBAGLBSA-N -1 0 327.475 3.642 20 0 EHADRM Cc1ccn(-c2ccccc2[N-]S(=O)(=O)c2sc(C)cc2C)n1 ZINC000431172741 1023379778 /nfs/dbraw/zinc/37/97/78/1023379778.db2.gz LPHXTVCNWLMYRN-UHFFFAOYSA-N -1 0 347.465 3.660 20 0 EHADRM O=C([O-])c1ccc2nc(/C=C\c3cnn(CC(F)F)c3)ccc2c1 ZINC000431177505 1023382926 /nfs/dbraw/zinc/38/29/26/1023382926.db2.gz AAGMHBKOKZOHAM-RJRFIUFISA-N -1 0 329.306 3.565 20 0 EHADRM O=C(c1cc(F)ccc1O)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000092429862 1023389375 /nfs/dbraw/zinc/38/93/75/1023389375.db2.gz XEGBTLBEYZDFNP-GOEBONIOSA-N -1 0 333.403 3.675 20 0 EHADRM CCCN(C(=O)NCc1ccc2ccccc2c1)[C@H](CC)C(=O)[O-] ZINC000559361923 1023417094 /nfs/dbraw/zinc/41/70/94/1023417094.db2.gz ASKADGNPDOXFBI-QGZVFWFLSA-N -1 0 328.412 3.625 20 0 EHADRM COc1c(F)cc(F)cc1NC(=O)CC1(CC(=O)[O-])CCCCC1 ZINC000348708180 1023443748 /nfs/dbraw/zinc/44/37/48/1023443748.db2.gz WWAKJDXUIWRKGC-UHFFFAOYSA-N -1 0 341.354 3.727 20 0 EHADRM Cc1cccc([C@H](NC(=O)N=c2[n-]nc(C(F)F)s2)C(C)C)c1 ZINC000528947738 1033137061 /nfs/dbraw/zinc/13/70/61/1033137061.db2.gz VTBRKLFHMNXAOJ-LLVKDONJSA-N -1 0 340.399 3.725 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000431210436 1023525591 /nfs/dbraw/zinc/52/55/91/1023525591.db2.gz HDKQLJGRCSGPPN-WNOSKKOXSA-N -1 0 349.858 3.763 20 0 EHADRM Cc1cc(Br)ccc1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000036829358 1033145604 /nfs/dbraw/zinc/14/56/04/1033145604.db2.gz OXZDBDMYWRCYJV-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM O=C([O-])CC1(CNC(=O)CCCOCc2ccccc2)CCCCC1 ZINC000537475134 1033141493 /nfs/dbraw/zinc/14/14/93/1033141493.db2.gz VENXONKPERIVBU-UHFFFAOYSA-N -1 0 347.455 3.525 20 0 EHADRM Cc1cc(C)c(OCC(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)c(C)c1 ZINC000326642573 1023684333 /nfs/dbraw/zinc/68/43/33/1023684333.db2.gz ADOPNIMIPMXBHU-TWGQIWQCSA-N -1 0 339.391 3.727 20 0 EHADRM Cc1[nH]c2ccccc2c1CC(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000471983091 1023784850 /nfs/dbraw/zinc/78/48/50/1023784850.db2.gz GIEPMXGBJMFXAK-UHFFFAOYSA-N -1 0 336.391 3.973 20 0 EHADRM C[C@]1(c2ccc(F)cc2)CCN(C(=O)c2c([O-])cc(F)cc2F)C1 ZINC000684623541 1023881926 /nfs/dbraw/zinc/88/19/26/1023881926.db2.gz BUDXODNAXFMXMD-SFHVURJKSA-N -1 0 335.325 3.613 20 0 EHADRM O=C([O-])C1=C(C(=O)N(Cc2ccco2)Cc2cccs2)CCCC1 ZINC000326685790 1023939972 /nfs/dbraw/zinc/93/99/72/1023939972.db2.gz RFTOJOCFTGPZLQ-UHFFFAOYSA-N -1 0 345.420 3.825 20 0 EHADRM CCC[C@H](NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)C1CCCC1 ZINC000458335460 1023949693 /nfs/dbraw/zinc/94/96/93/1023949693.db2.gz JKPMFEOLQPUHRE-KRWDZBQOSA-N -1 0 341.455 3.563 20 0 EHADRM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1c(C)cccc1C ZINC000181664487 1024039741 /nfs/dbraw/zinc/03/97/41/1024039741.db2.gz RGGMQDAHSVWTQX-UHFFFAOYSA-N -1 0 335.473 3.574 20 0 EHADRM COc1ccc(OC(F)F)c(NC(=O)c2ccc(Cl)cc2[O-])c1 ZINC000192511160 1024049804 /nfs/dbraw/zinc/04/98/04/1024049804.db2.gz CNKVFAOUCNGKBF-UHFFFAOYSA-N -1 0 343.713 3.908 20 0 EHADRM Cc1cnc(CN[C@]2(C(=O)[O-])C[C@@H](C(C)C)c3ccccc32)s1 ZINC000417561668 1024051751 /nfs/dbraw/zinc/05/17/51/1024051751.db2.gz BEEACWJKBMMUIH-KBXCAEBGSA-N -1 0 330.453 3.665 20 0 EHADRM COc1c(-c2ccccc2OC[C@@H]2CCOC2)ccc(F)c1C(=O)[O-] ZINC000657204111 1024081349 /nfs/dbraw/zinc/08/13/49/1024081349.db2.gz PNDNTIXZEBGINA-GFCCVEGCSA-N -1 0 346.354 3.615 20 0 EHADRM CCOc1ccc(-c2nc(C(=O)[O-])c(Cl)s2)cc1OCC ZINC000657203926 1024084335 /nfs/dbraw/zinc/08/43/35/1024084335.db2.gz LJOHVAFFBQYNIF-UHFFFAOYSA-N -1 0 327.789 3.959 20 0 EHADRM CCOCc1ccc(-c2ccc3c(c2)[C@@H](C(=O)[O-])CC(=O)N3)cc1F ZINC000657203967 1024084379 /nfs/dbraw/zinc/08/43/79/1024084379.db2.gz VTOMYNHGFJNKSN-HNNXBMFYSA-N -1 0 343.354 3.540 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1ccc(C(C)(C)C)cc1O ZINC000443527472 1024097838 /nfs/dbraw/zinc/09/78/38/1024097838.db2.gz GTYPQYHQBCEQJF-UHFFFAOYSA-N -1 0 341.454 3.561 20 0 EHADRM COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc(F)ccc2O)c1 ZINC000093908289 1024099561 /nfs/dbraw/zinc/09/95/61/1024099561.db2.gz LSRNJVIOWRYYIM-MRXNPFEDSA-N -1 0 345.370 3.526 20 0 EHADRM Cc1[nH]c2ccc(-c3cc(C(F)(F)F)nn3C)cc2c1CC(=O)[O-] ZINC000657205915 1024105226 /nfs/dbraw/zinc/10/52/26/1024105226.db2.gz QJYWXHBTQGIZKS-UHFFFAOYSA-N -1 0 337.301 3.523 20 0 EHADRM COc1cc(-c2cccc([C@@H]3C[C@H]3C(=O)[O-])c2)cnc1C(F)(F)F ZINC000657206703 1024129177 /nfs/dbraw/zinc/12/91/77/1024129177.db2.gz VINPYNOTLMXOQK-QWHCGFSZSA-N -1 0 337.297 3.964 20 0 EHADRM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(F)(F)F ZINC000443934475 1024129671 /nfs/dbraw/zinc/12/96/71/1024129671.db2.gz IWTSGSQPPDWRFX-WRWORJQWSA-N -1 0 347.761 3.734 20 0 EHADRM O=C([O-])[C@H]1CCc2cc(-c3ccc(C(F)(F)F)cc3CO)ccc21 ZINC000657207462 1024131396 /nfs/dbraw/zinc/13/13/96/1024131396.db2.gz MFXQCPRYBXENDD-INIZCTEOSA-N -1 0 336.309 3.979 20 0 EHADRM CC[C@H](C)[C@@H]([N-]S(=O)(=O)Cc1ccccc1Cl)C(F)(F)F ZINC000443937360 1024134771 /nfs/dbraw/zinc/13/47/71/1024134771.db2.gz RVAZKDSEBNBFEM-JOYOIKCWSA-N -1 0 343.798 3.736 20 0 EHADRM CC[C@@H](Cc1ccc(NCc2cccc3c2OCCO3)cc1)C(=O)[O-] ZINC000417609590 1024165652 /nfs/dbraw/zinc/16/56/52/1024165652.db2.gz LMUHRYVWBIAXDI-HNNXBMFYSA-N -1 0 341.407 3.723 20 0 EHADRM C[C@@H]1CCCN(Cc2coc(-c3ccc(Cl)cc3)n2)[C@@H]1C(=O)[O-] ZINC000324075943 1024178854 /nfs/dbraw/zinc/17/88/54/1024178854.db2.gz GHNRXEVGHQRRQJ-ABAIWWIYSA-N -1 0 334.803 3.680 20 0 EHADRM COc1ccc2oc(CN[C@@H](CSCC=C(C)C)C(=O)[O-])cc2c1 ZINC000417635018 1024223079 /nfs/dbraw/zinc/22/30/79/1024223079.db2.gz ZZYBXRXRXHYUKW-INIZCTEOSA-N -1 0 349.452 3.684 20 0 EHADRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)nn1[C@@H](C)C1CC1 ZINC000909513033 1024235884 /nfs/dbraw/zinc/23/58/84/1024235884.db2.gz MHKMIEFTGCLPLU-ZDUSSCGKSA-N -1 0 341.411 3.730 20 0 EHADRM C[C@H](CC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(F)c(F)c1[O-] ZINC001625992094 1033195720 /nfs/dbraw/zinc/19/57/20/1033195720.db2.gz LUFVLYMIOVBXBN-SECBINFHSA-N -1 0 337.297 3.657 20 0 EHADRM O=C([O-])[C@@H](C[NH2+]Cc1csc(-c2ccc(F)cc2)n1)C1CCC1 ZINC000665362751 1024294519 /nfs/dbraw/zinc/29/45/19/1024294519.db2.gz LDHYYTHGJBAPLV-HNNXBMFYSA-N -1 0 334.416 3.540 20 0 EHADRM CCCCCOc1ccc(S(=O)(=O)[N-]c2cc(C)ccn2)cc1 ZINC000520644554 1024326573 /nfs/dbraw/zinc/32/65/73/1024326573.db2.gz UQRLMHVKXQNQFR-UHFFFAOYSA-N -1 0 334.441 3.760 20 0 EHADRM CC(C)(C)c1ncc(CN[C@@H](C(=O)[O-])c2c(F)cccc2F)s1 ZINC000277258247 1024362509 /nfs/dbraw/zinc/36/25/09/1024362509.db2.gz KMNPAGMLWDDPTG-CYBMUJFWSA-N -1 0 340.395 3.634 20 0 EHADRM C[C@H](CNC(=O)C1(Cc2cccc(Cl)c2)CCCC1)CC(=O)[O-] ZINC000262225560 1024407292 /nfs/dbraw/zinc/40/72/92/1024407292.db2.gz NLWZRZSMJMPVKT-ZDUSSCGKSA-N -1 0 337.847 3.670 20 0 EHADRM Cc1cc(C)cc(C[C@H](C)NC(=O)CCc2ccccc2C(=O)[O-])c1 ZINC000262226572 1024414448 /nfs/dbraw/zinc/41/44/48/1024414448.db2.gz RTDQZBPEGXDAIG-INIZCTEOSA-N -1 0 339.435 3.682 20 0 EHADRM CC(C)CN=c1[n-]nc(SCCO[C@H]2CCCC[C@H]2C)s1 ZINC000514434809 1024467550 /nfs/dbraw/zinc/46/75/50/1024467550.db2.gz RVMSLKDNHKFIBR-OLZOCXBDSA-N -1 0 329.535 3.715 20 0 EHADRM O=C([O-])c1ccc([C@H](NC(=O)[C@@H]2CCC[C@@H](F)C2)C(F)(F)F)cc1 ZINC000425251868 1024509249 /nfs/dbraw/zinc/50/92/49/1024509249.db2.gz HUMOMUMOOJUTFW-UPJWGTAASA-N -1 0 347.308 3.633 20 0 EHADRM O=S(=O)([N-]c1n[nH]c2c1cccc2Cl)c1cccc(Cl)c1 ZINC000434968115 1024530683 /nfs/dbraw/zinc/53/06/83/1024530683.db2.gz RMPXDQVZEWVUOD-UHFFFAOYSA-N -1 0 342.207 3.671 20 0 EHADRM CCOc1cc(F)ccc1NC(=O)[C@](C)(CC(=O)[O-])CC(C)C ZINC000634817649 1024554987 /nfs/dbraw/zinc/55/49/87/1024554987.db2.gz JKPZUKUUECKCRF-KRWDZBQOSA-N -1 0 325.380 3.690 20 0 EHADRM O=C([O-])c1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)c(Cl)c1 ZINC000342256226 1024582263 /nfs/dbraw/zinc/58/22/63/1024582263.db2.gz YYPLEYUSSVLDQL-INIZCTEOSA-N -1 0 342.782 3.767 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)s1 ZINC000320681942 1024585226 /nfs/dbraw/zinc/58/52/26/1024585226.db2.gz MIYMSFYOWLEERH-UHFFFAOYSA-N -1 0 333.438 3.556 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2nc(C(C)(C)C)cs2)c1 ZINC000550441181 1024624700 /nfs/dbraw/zinc/62/47/00/1024624700.db2.gz WGRDOGSUAFTYOK-UHFFFAOYSA-N -1 0 328.434 3.689 20 0 EHADRM CC(C)c1cc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])nn1C(C)(C)C ZINC000236883355 1024639663 /nfs/dbraw/zinc/63/96/63/1024639663.db2.gz DMUCBHXTGGBQRY-CQSZACIVSA-N -1 0 349.475 3.621 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1n[nH]c(C)c1-c1ccccc1 ZINC000548608317 1024677575 /nfs/dbraw/zinc/67/75/75/1024677575.db2.gz BJPJKRWBMMFMNV-UHFFFAOYSA-N -1 0 341.436 3.748 20 0 EHADRM COc1cc(C)c(/C=C/c2ncc(C(=O)[O-])c(C(C)C)n2)cc1OC ZINC000435177145 1024681726 /nfs/dbraw/zinc/68/17/26/1024681726.db2.gz LLTNKOOUFOOTFJ-VOTSOKGWSA-N -1 0 342.395 3.794 20 0 EHADRM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1c(C)cccc1O ZINC000346415871 1024703198 /nfs/dbraw/zinc/70/31/98/1024703198.db2.gz XSJBERONFHOLHI-UHFFFAOYSA-N -1 0 335.356 3.695 20 0 EHADRM CC(C)Oc1ccc(CC[C@H](C)NC(=O)CC2(C(=O)[O-])CCC2)cc1 ZINC000262565474 1033230326 /nfs/dbraw/zinc/23/03/26/1033230326.db2.gz XTCOIYXDVIOBOP-HNNXBMFYSA-N -1 0 347.455 3.556 20 0 EHADRM COCc1cc(NC(=O)[C@H]2CC[C@H](C(C)C)CC2)cc(C(=O)[O-])c1 ZINC000427675267 1024726761 /nfs/dbraw/zinc/72/67/61/1024726761.db2.gz WNVFJVCDNQEUQN-SHTZXODSSA-N -1 0 333.428 3.932 20 0 EHADRM O=C([O-])[C@H]1CCCCCN1C(=O)NCc1ccc(Cl)cc1Cl ZINC000684711224 1024864699 /nfs/dbraw/zinc/86/46/99/1024864699.db2.gz QVSTYTQJAYFMLF-CYBMUJFWSA-N -1 0 345.226 3.532 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2cscc2C(F)F)CCCCC1 ZINC000909463123 1024881969 /nfs/dbraw/zinc/88/19/69/1024881969.db2.gz BDBKTOPQUUAZNJ-UHFFFAOYSA-N -1 0 331.384 3.841 20 0 EHADRM CC(C)(C(=O)NCCCCCCCC(=O)[O-])c1ccc(F)cc1F ZINC000909462904 1024886405 /nfs/dbraw/zinc/88/64/05/1024886405.db2.gz JRHNWVCMTSGCRF-UHFFFAOYSA-N -1 0 341.398 3.784 20 0 EHADRM Cc1cc(Nc2nc(Br)cnc2Cl)cc(C(=O)[O-])c1 ZINC001211537411 1024899959 /nfs/dbraw/zinc/89/99/59/1024899959.db2.gz INYUVEFBEHPURW-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)cc1F ZINC000327448071 1024921496 /nfs/dbraw/zinc/92/14/96/1024921496.db2.gz RBDAAHWWXRSKIF-VLIAUNLRSA-N -1 0 343.398 3.744 20 0 EHADRM COc1ccc(CC(=O)Nc2cc(F)cc(Cl)c2[O-])cc1F ZINC000474435753 1024967002 /nfs/dbraw/zinc/96/70/02/1024967002.db2.gz SZMODTFDLXDQOP-UHFFFAOYSA-N -1 0 327.714 3.514 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N2CC[C@H](c3ccccc3C)C2)s1 ZINC000508218781 1024968652 /nfs/dbraw/zinc/96/86/52/1024968652.db2.gz ZHXMTALUUNVBNQ-AWEZNQCLSA-N -1 0 344.484 3.632 20 0 EHADRM O=C(Cc1ccc(O)cc1Cl)Nc1cc(F)cc(Cl)c1[O-] ZINC000474437183 1024972947 /nfs/dbraw/zinc/97/29/47/1024972947.db2.gz GFUTXAZNXFIIBX-UHFFFAOYSA-N -1 0 330.142 3.725 20 0 EHADRM CC(C)(C)c1ccc(-c2ccc(C(=O)NCCCC(=O)[O-])o2)cc1 ZINC000428106771 1024997945 /nfs/dbraw/zinc/99/79/45/1024997945.db2.gz HVBJGJFZWRNRAX-UHFFFAOYSA-N -1 0 329.396 3.839 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]c1ccc(C)nc1 ZINC000431336805 1025051260 /nfs/dbraw/zinc/05/12/60/1025051260.db2.gz FZJYFIKDHHSZST-UHFFFAOYSA-N -1 0 336.800 3.899 20 0 EHADRM CCC(CC)(NC(=O)CC(C)(C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000582025920 1025054092 /nfs/dbraw/zinc/05/40/92/1025054092.db2.gz JWHLRSFNDYIPTR-UHFFFAOYSA-N -1 0 325.836 3.972 20 0 EHADRM C[C@@H](Sc1ccccc1)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000013177504 1025070675 /nfs/dbraw/zinc/07/06/75/1025070675.db2.gz NLYICYKREBBQED-MLGOLLRUSA-N -1 0 347.411 3.639 20 0 EHADRM CC[C@@H](NC(=O)N(C)[C@H](CC(C)C)C(=O)[O-])c1ccc(F)cc1F ZINC000684734544 1025100446 /nfs/dbraw/zinc/10/04/46/1025100446.db2.gz LPWSEFOVZMVNLT-HUUCEWRRSA-N -1 0 342.386 3.557 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)NCC2CCC(c3ccccc3)CC2)CC1 ZINC000435711747 1025100652 /nfs/dbraw/zinc/10/06/52/1025100652.db2.gz SMCXFTGCBUEKOP-CPXUNXPTSA-N -1 0 343.467 3.968 20 0 EHADRM CC[C@H](NC(=O)N(C)[C@H](CC(C)C)C(=O)[O-])c1ccc(F)cc1F ZINC000684734546 1025101049 /nfs/dbraw/zinc/10/10/49/1025101049.db2.gz LPWSEFOVZMVNLT-LSDHHAIUSA-N -1 0 342.386 3.557 20 0 EHADRM C[C@@H](NC(=O)C1CCC(C(=O)[O-])CC1)c1ccccc1C(F)(F)F ZINC000435719140 1025103247 /nfs/dbraw/zinc/10/32/47/1025103247.db2.gz IXLQNSZMOVYEDJ-VOMCLLRMSA-N -1 0 343.345 3.774 20 0 EHADRM Cc1ccc2cc(S(=O)(=O)[N-]c3cnn(C(C)(C)C)c3)ccc2c1 ZINC000451009689 1025144337 /nfs/dbraw/zinc/14/43/37/1025144337.db2.gz QUNFVTDVWDZIBG-UHFFFAOYSA-N -1 0 343.452 3.901 20 0 EHADRM Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)c(C)n1C1CCCCC1 ZINC000521025853 1025171090 /nfs/dbraw/zinc/17/10/90/1025171090.db2.gz WUCIRBFSHUJEMA-BBRMVZONSA-N -1 0 346.471 3.935 20 0 EHADRM O=C([O-])[C@H](CC1CC1)NC(=O)c1sc2cccc(F)c2c1Cl ZINC000909476002 1025177912 /nfs/dbraw/zinc/17/79/12/1025177912.db2.gz LHKGRIOCMKRDIG-VIFPVBQESA-N -1 0 341.791 3.677 20 0 EHADRM Cc1cc(Nc2sc3c(c2C(N)=O)C[C@H](C)CC3)cc(C(=O)[O-])c1 ZINC001211539480 1025211352 /nfs/dbraw/zinc/21/13/52/1025211352.db2.gz XGAQFFMJBNHAOJ-SECBINFHSA-N -1 0 344.436 3.722 20 0 EHADRM Cc1coc(-c2cccc(NC(=O)N3CCCCC[C@H]3C(=O)[O-])c2)n1 ZINC000684748255 1025237267 /nfs/dbraw/zinc/23/72/67/1025237267.db2.gz KHDLZVPWKGVBLP-HNNXBMFYSA-N -1 0 343.383 3.511 20 0 EHADRM CCCN(C(=O)Nc1ccc(OCC2CC2)cc1)[C@H](CC)C(=O)[O-] ZINC000684750342 1025271401 /nfs/dbraw/zinc/27/14/01/1025271401.db2.gz XXPZLWKGCYSPQI-MRXNPFEDSA-N -1 0 334.416 3.583 20 0 EHADRM Cc1ccccc1[C@H]1CN(C(=O)c2ccc([O-])c(Cl)c2)CCO1 ZINC000363574085 1033274133 /nfs/dbraw/zinc/27/41/33/1033274133.db2.gz ACKAZFCTLOSVGY-QGZVFWFLSA-N -1 0 331.799 3.568 20 0 EHADRM CCO[C@@H](CC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)C1=CCCC1 ZINC000431360116 1025351917 /nfs/dbraw/zinc/35/19/17/1025351917.db2.gz VRPWNCIDTWZSDS-HNNXBMFYSA-N -1 0 337.803 3.882 20 0 EHADRM O=C([O-])CC1CCN(C(=O)c2ccccc2Nc2ccccc2)CC1 ZINC000262372549 1025357216 /nfs/dbraw/zinc/35/72/16/1025357216.db2.gz AZRNILSNURPMHH-UHFFFAOYSA-N -1 0 338.407 3.757 20 0 EHADRM C[C@H](NS(=O)(=O)c1c(Cl)cc(F)cc1Cl)C1CCC1 ZINC000684763488 1025367603 /nfs/dbraw/zinc/36/76/03/1025367603.db2.gz QAGMIOFSVICWAB-ZETCQYMHSA-N -1 0 326.220 3.599 20 0 EHADRM Cc1cnc2c(NC(=O)NO[C@H]3CCCCO3)cccc2c1Cl ZINC000888980002 1025384265 /nfs/dbraw/zinc/38/42/65/1025384265.db2.gz MHLASIFNRPZCAI-ZDUSSCGKSA-N -1 0 335.791 3.776 20 0 EHADRM Cc1cc(C)c(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)c(C)c1 ZINC000013466775 1025398445 /nfs/dbraw/zinc/39/84/45/1025398445.db2.gz RESHADCAXKQOTB-HXUWFJFHSA-N -1 0 325.408 3.983 20 0 EHADRM CC(C)CN(CC(C)(C)C)C(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000474740148 1025409057 /nfs/dbraw/zinc/40/90/57/1025409057.db2.gz YIMMRYHVKDKWBN-UHFFFAOYSA-N -1 0 336.461 3.756 20 0 EHADRM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccnc1OC(C)C ZINC000515633147 1025427132 /nfs/dbraw/zinc/42/71/32/1025427132.db2.gz AVSNIUAEKOXNDY-UHFFFAOYSA-N -1 0 340.832 3.631 20 0 EHADRM CCn1c2ccccc2nc1[C@H](C)N=c1nc(C(F)(F)F)[n-]s1 ZINC000347055307 1025451923 /nfs/dbraw/zinc/45/19/23/1025451923.db2.gz OTXCTLDCCJTIFE-QMMMGPOBSA-N -1 0 341.362 3.522 20 0 EHADRM O=C([O-])C1(CNC(=O)CCCc2ccc3ccccc3c2)CCC1 ZINC000582158794 1025471547 /nfs/dbraw/zinc/47/15/47/1025471547.db2.gz QCFVWOFGTGSSRZ-UHFFFAOYSA-N -1 0 325.408 3.534 20 0 EHADRM Cc1onc([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)c1C ZINC000451053372 1025473437 /nfs/dbraw/zinc/47/34/37/1025473437.db2.gz ZIVYPSXAQCTRFE-UHFFFAOYSA-N -1 0 335.212 3.707 20 0 EHADRM O=C(N=c1[n-]nc(C2CC2)s1)N1CCC[C@@H]1CCC1CCCC1 ZINC000574579883 1033288392 /nfs/dbraw/zinc/28/83/92/1033288392.db2.gz ZEXYLQFZNFQWAM-CQSZACIVSA-N -1 0 334.489 3.804 20 0 EHADRM CCOc1ccc(Cl)c([N-]S(=O)(=O)c2sc(C)nc2C)c1 ZINC000451096370 1025540028 /nfs/dbraw/zinc/54/00/28/1025540028.db2.gz WTZVLZIANJUJGE-UHFFFAOYSA-N -1 0 346.861 3.613 20 0 EHADRM Cc1ccncc1[N-]S(=O)(=O)c1ccc(SC(F)(F)F)cc1 ZINC000085235331 1025545033 /nfs/dbraw/zinc/54/50/33/1025545033.db2.gz SYLKYQMNFBRMKH-UHFFFAOYSA-N -1 0 348.371 3.803 20 0 EHADRM CC1(C(=O)N=c2nc(-c3ccccc3)[n-]s2)CCC(F)(F)CC1 ZINC000530262696 1025545326 /nfs/dbraw/zinc/54/53/26/1025545326.db2.gz XGBZKOHVCJIOLF-UHFFFAOYSA-N -1 0 337.395 3.781 20 0 EHADRM O=S(=O)([N-]c1ccc2ccoc2c1)c1c[nH]c2cccc(F)c21 ZINC000442853558 1025550277 /nfs/dbraw/zinc/55/02/77/1025550277.db2.gz UPIJGJTXZCXTMF-UHFFFAOYSA-N -1 0 330.340 3.854 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Cc1csc2ccccc12 ZINC000262274419 1025556472 /nfs/dbraw/zinc/55/64/72/1025556472.db2.gz XFPBSOIVWKLSPA-CQSZACIVSA-N -1 0 331.437 3.690 20 0 EHADRM CCCC[C@H](NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000347258040 1025748070 /nfs/dbraw/zinc/74/80/70/1025748070.db2.gz JCPIGXFVFZYCFQ-MCIONIFRSA-N -1 0 344.238 3.857 20 0 EHADRM CCCC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000347256088 1025763490 /nfs/dbraw/zinc/76/34/90/1025763490.db2.gz FGHJPNUJSHHQTK-DYEKYZERSA-N -1 0 344.238 3.857 20 0 EHADRM Cc1ccc(C)c(Sc2ccc(NC(=O)c3n[nH]c(=O)[n-]3)cc2)c1 ZINC000515937534 1025773093 /nfs/dbraw/zinc/77/30/93/1025773093.db2.gz GLUUZWPGMOOEOT-UHFFFAOYSA-N -1 0 340.408 3.531 20 0 EHADRM C[C@H]1CCCC[C@@H]1CC(=O)N=c1nc(Cc2ccccc2)[n-]s1 ZINC000521909047 1025778298 /nfs/dbraw/zinc/77/82/98/1025778298.db2.gz CQRGHCCNNAEUCO-DZGCQCFKSA-N -1 0 329.469 3.706 20 0 EHADRM Cc1cc(C)cc(OCC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000530407169 1025778785 /nfs/dbraw/zinc/77/87/85/1025778785.db2.gz OIKNRXUSDSCOGP-UHFFFAOYSA-N -1 0 327.380 3.636 20 0 EHADRM Cc1cnc(C2CCN(Cc3nc(=O)c4sccc4[n-]3)CC2)s1 ZINC000277538461 1025779157 /nfs/dbraw/zinc/77/91/57/1025779157.db2.gz VFHQPKOFXWWCSJ-UHFFFAOYSA-N -1 0 346.481 3.541 20 0 EHADRM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000436521492 1025822744 /nfs/dbraw/zinc/82/27/44/1025822744.db2.gz FGEGJAHQNUXODE-OCCSQVGLSA-N -1 0 331.362 3.764 20 0 EHADRM O=C(N[C@H]1C[C@H]1c1c(F)cccc1Cl)c1cc(F)c([O-])c(F)c1 ZINC000436521276 1025823975 /nfs/dbraw/zinc/82/39/75/1025823975.db2.gz CVSOFZZXVFSCFQ-OQPBUACISA-N -1 0 341.716 3.749 20 0 EHADRM COc1ccc(C[C@@H](C)CN(C)C(=O)c2c([O-])cc(F)cc2F)cc1 ZINC000124932657 1025829422 /nfs/dbraw/zinc/82/94/22/1025829422.db2.gz FJBVSZXOVIVMIZ-GFCCVEGCSA-N -1 0 349.377 3.630 20 0 EHADRM O=C(NCCC1CCOCC1)c1cc(Cl)c2ccccc2c1[O-] ZINC000436549204 1025856009 /nfs/dbraw/zinc/85/60/09/1025856009.db2.gz VIGFNPSGYCGIAF-UHFFFAOYSA-N -1 0 333.815 3.745 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCO[C@@H]2CCC[C@H]21 ZINC000436549232 1025856113 /nfs/dbraw/zinc/85/61/13/1025856113.db2.gz VKSCBQZGWJEYDR-HZPDHXFCSA-N -1 0 331.799 3.592 20 0 EHADRM Cn1c2ccc(NC(=O)c3ccc(F)cc3[O-])cc2nc1C1CC1 ZINC000436564499 1025894084 /nfs/dbraw/zinc/89/40/84/1025894084.db2.gz KFVHGSMLNBQPPR-UHFFFAOYSA-N -1 0 325.343 3.548 20 0 EHADRM O=c1[n-]c([C@@H]2CCCCN2Cc2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000329472278 1025898411 /nfs/dbraw/zinc/89/84/11/1025898411.db2.gz BEMBGICXBLUVFL-LBPRGKRZSA-N -1 0 327.215 3.544 20 0 EHADRM COc1ccc(C[C@H]2CCCN(C(=O)c3ccc(F)cc3[O-])C2)cc1 ZINC000436592595 1025908637 /nfs/dbraw/zinc/90/86/37/1025908637.db2.gz WRPAYRLAFZVICZ-OAHLLOKOSA-N -1 0 343.398 3.635 20 0 EHADRM CCCN(C(=O)Nc1ccccc1C(F)(F)F)[C@H](CC)C(=O)[O-] ZINC000520486747 1025909868 /nfs/dbraw/zinc/90/98/68/1025909868.db2.gz NSXLPXYPZQAFSF-GFCCVEGCSA-N -1 0 332.322 3.813 20 0 EHADRM C[C@@H]1OCCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])[C@H]1C ZINC000436594095 1025911706 /nfs/dbraw/zinc/91/17/06/1025911706.db2.gz DDEOAKZNBYJRPI-STQMWFEESA-N -1 0 345.826 3.962 20 0 EHADRM COCCc1nc2cc(NC(=O)c3cc(Cl)ccc3[O-])ccc2o1 ZINC000436586307 1025926621 /nfs/dbraw/zinc/92/66/21/1025926621.db2.gz SRIXETQGOQJCLC-UHFFFAOYSA-N -1 0 346.770 3.628 20 0 EHADRM COc1ccc(N(C)C(=O)c2cc3c(cc2O)CCCC3)cc1F ZINC000436588262 1025926802 /nfs/dbraw/zinc/92/68/02/1025926802.db2.gz ZUHNKSXQLGMEHT-UHFFFAOYSA-N -1 0 329.371 3.695 20 0 EHADRM C[C@H]1CC[C@@H](N(C)C(=O)c2cc(Br)c(F)cc2[O-])C1 ZINC000451401772 1025927578 /nfs/dbraw/zinc/92/75/78/1025927578.db2.gz UNTYZIMRWCSEKU-DTWKUNHWSA-N -1 0 330.197 3.554 20 0 EHADRM C[C@H](CCc1cccn1C)NC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000436590091 1025931369 /nfs/dbraw/zinc/93/13/69/1025931369.db2.gz LYWAYOZQOKOEDR-SNVBAGLBSA-N -1 0 341.238 3.789 20 0 EHADRM COCC1(CNC(=O)c2cc(F)c([O-])c(Cl)c2)CCCCC1 ZINC000436618974 1025950633 /nfs/dbraw/zinc/95/06/33/1025950633.db2.gz PPRLBQQZKKRFKW-UHFFFAOYSA-N -1 0 329.799 3.511 20 0 EHADRM O=C(Nc1ccc(NC2CCOCC2)cc1)c1cc(Cl)ccc1[O-] ZINC000436625709 1025952504 /nfs/dbraw/zinc/95/25/04/1025952504.db2.gz GBWACNQVGPSGIL-UHFFFAOYSA-N -1 0 346.814 3.889 20 0 EHADRM CCO[C@H]1C[C@H](NC(=O)c2ccc([O-])c(Cl)c2)C12CCCCC2 ZINC000436637967 1025967330 /nfs/dbraw/zinc/96/73/30/1025967330.db2.gz DAHMBNCDNQHJSB-HOTGVXAUSA-N -1 0 337.847 3.903 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)c1 ZINC000436652635 1025981680 /nfs/dbraw/zinc/98/16/80/1025981680.db2.gz PCYHTGUHOOPSEW-GJZGRUSLSA-N -1 0 327.355 3.866 20 0 EHADRM COc1ccc(-c2cc(C(C)=O)ccc2F)cc1C1(C(=O)[O-])CC1 ZINC000582371005 1025984737 /nfs/dbraw/zinc/98/47/37/1025984737.db2.gz IFMRIBQAPGQWEL-UHFFFAOYSA-N -1 0 328.339 3.820 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)Oc2ccccc2F)c1 ZINC000436642615 1025990466 /nfs/dbraw/zinc/99/04/66/1025990466.db2.gz BRTOPSPVXGHAEK-LLVKDONJSA-N -1 0 331.343 3.530 20 0 EHADRM CC[C@H](CN=c1[n-]nc(C2CC2)o1)Oc1cccc(C(F)(F)F)c1 ZINC000342512665 1025995478 /nfs/dbraw/zinc/99/54/78/1025995478.db2.gz PHCXMDPQORTUKQ-GFCCVEGCSA-N -1 0 341.333 3.657 20 0 EHADRM CC(C)[C@@H](NC(=O)c1cc(Cl)c2ccccc2c1[O-])c1ncon1 ZINC000436646476 1025996291 /nfs/dbraw/zinc/99/62/91/1025996291.db2.gz GVVDVXAMGYVZFL-CQSZACIVSA-N -1 0 345.786 3.709 20 0 EHADRM CCOc1cccc(S(=O)(=O)[N-]c2ccc(C)cc2OCC)c1 ZINC000443404429 1026001019 /nfs/dbraw/zinc/00/10/19/1026001019.db2.gz FTRQKHATYDZANN-UHFFFAOYSA-N -1 0 335.425 3.593 20 0 EHADRM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ncc(C(C)C)s2)c1 ZINC000158465747 1026005324 /nfs/dbraw/zinc/00/53/24/1026005324.db2.gz GEAXTIMNBJVLQP-UHFFFAOYSA-N -1 0 338.454 3.660 20 0 EHADRM Fc1cncc(CSc2n[n-]c(=Nc3ccccc3F)s2)c1 ZINC000530527008 1026005943 /nfs/dbraw/zinc/00/59/43/1026005943.db2.gz PFJYHTRUIYRHGH-UHFFFAOYSA-N -1 0 336.392 3.669 20 0 EHADRM CCOc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2OC)c1 ZINC000443414020 1026006353 /nfs/dbraw/zinc/00/63/53/1026006353.db2.gz NLOYOTXNFKEJQD-UHFFFAOYSA-N -1 0 341.816 3.548 20 0 EHADRM CC(C)c1cccnc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000443422960 1026021064 /nfs/dbraw/zinc/02/10/64/1026021064.db2.gz BCALGTUJLGJRAC-UHFFFAOYSA-N -1 0 328.796 3.798 20 0 EHADRM Cc1ccc([C@@H]([N-]S(=O)(=O)c2ccc(C)s2)C(F)(F)F)o1 ZINC000655660775 1026023145 /nfs/dbraw/zinc/02/31/45/1026023145.db2.gz VJJAPYAJXPJDFB-LLVKDONJSA-N -1 0 339.360 3.540 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)Cc2ccccc2F)c1 ZINC000436661175 1026024019 /nfs/dbraw/zinc/02/40/19/1026024019.db2.gz XNNJESSZTNYCLH-LBPRGKRZSA-N -1 0 329.371 3.941 20 0 EHADRM Cc1cc(Cl)cc(C)c1CN=c1[n-]nc(CC(F)(F)F)s1 ZINC000475067184 1026026539 /nfs/dbraw/zinc/02/65/39/1026026539.db2.gz WSBYUCFOYBVCFO-UHFFFAOYSA-N -1 0 335.782 3.947 20 0 EHADRM O=C(NCc1cc(-c2ccccc2)on1)c1cc(F)cc(Cl)c1[O-] ZINC000436678903 1026028951 /nfs/dbraw/zinc/02/89/51/1026028951.db2.gz IMZKSHCCDSRXIX-UHFFFAOYSA-N -1 0 346.745 3.770 20 0 EHADRM Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1ncc(Br)cc1O ZINC000896797962 1026038001 /nfs/dbraw/zinc/03/80/01/1026038001.db2.gz KZETXXRKZHLHER-SNVBAGLBSA-N -1 0 339.208 3.848 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cccc(CC(F)(F)F)c2)[C@H](C(=O)[O-])C1 ZINC000516139996 1026041493 /nfs/dbraw/zinc/04/14/93/1026041493.db2.gz VEALHYKXWNZBAI-MFKMUULPSA-N -1 0 344.333 3.508 20 0 EHADRM Cc1ccsc1[C@@H](CO)NC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000436703511 1026068668 /nfs/dbraw/zinc/06/86/68/1026068668.db2.gz DWMANHUSBCHZEY-SNVBAGLBSA-N -1 0 346.235 3.532 20 0 EHADRM Cc1cccc(C)c1OC[C@H](C)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000436714899 1026081101 /nfs/dbraw/zinc/08/11/01/1026081101.db2.gz NLCCDEVEUJJNBX-ZDUSSCGKSA-N -1 0 333.815 3.860 20 0 EHADRM CCCCCN(CCCOC)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436727829 1026117389 /nfs/dbraw/zinc/11/73/89/1026117389.db2.gz DBIDFEKTNFJMKE-UHFFFAOYSA-N -1 0 331.815 3.854 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c(O)c1C ZINC000436752316 1026140157 /nfs/dbraw/zinc/14/01/57/1026140157.db2.gz ABBZPUWNEKSQMX-UHFFFAOYSA-N -1 0 340.423 3.790 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000436775019 1026149654 /nfs/dbraw/zinc/14/96/54/1026149654.db2.gz WGOGYVYFGHKFMU-UHFFFAOYSA-N -1 0 325.771 3.995 20 0 EHADRM CCC(CC)(NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000342539859 1026179629 /nfs/dbraw/zinc/17/96/29/1026179629.db2.gz DDEHXRCTSRYCRL-MNOVXSKESA-N -1 0 344.238 3.857 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cc(C)cc3cccnc32)c(C)c1 ZINC000614732200 1026216529 /nfs/dbraw/zinc/21/65/29/1026216529.db2.gz MEYBJWPURCUWIV-UHFFFAOYSA-N -1 0 326.421 3.961 20 0 EHADRM Cc1cc(C(=O)N=c2[n-]nc(-c3ccccn3)s2)c(C)cc1Cl ZINC000475124752 1026220894 /nfs/dbraw/zinc/22/08/94/1026220894.db2.gz ZTLDMUXDNBCFNE-UHFFFAOYSA-N -1 0 344.827 3.545 20 0 EHADRM CCSc1ccc(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000342552018 1026252494 /nfs/dbraw/zinc/25/24/94/1026252494.db2.gz YHPDGDBAYRYTGO-LJQANCHMSA-N -1 0 343.448 3.571 20 0 EHADRM O=C(c1cc(Br)c(F)cc1[O-])N1CCC[C@H](C2CC2)C1 ZINC000451786789 1026285445 /nfs/dbraw/zinc/28/54/45/1026285445.db2.gz LDGYKZAGVWEEHW-JTQLQIEISA-N -1 0 342.208 3.556 20 0 EHADRM C[C@@H](Oc1[n-]c(=O)ncc1Cl)c1ccc(F)c(Br)c1 ZINC001228482110 1026377015 /nfs/dbraw/zinc/37/70/15/1026377015.db2.gz JNQIUUOYBSCIRP-ZCFIWIBFSA-N -1 0 347.571 3.877 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)CC1CCC(C(=O)[O-])CC1)C1CC1 ZINC000582491103 1026415176 /nfs/dbraw/zinc/41/51/76/1026415176.db2.gz GKXRAUPASFAETQ-KJXMEXGPSA-N -1 0 329.440 3.843 20 0 EHADRM c1cc(OC2CCCCC2)ncc1CN=c1nc(C2CC2)[n-]s1 ZINC000530932453 1026431752 /nfs/dbraw/zinc/43/17/52/1026431752.db2.gz NHNGCOFAFWHGDB-UHFFFAOYSA-N -1 0 330.457 3.556 20 0 EHADRM CCC(C)(C)N(C)C(=O)N1C[C@@H](CC(=O)[O-])Sc2ccccc21 ZINC000684896580 1026444964 /nfs/dbraw/zinc/44/49/64/1026444964.db2.gz ZKFAXVBABSXSBZ-GFCCVEGCSA-N -1 0 336.457 3.682 20 0 EHADRM CCC[C@H](CC1CCCCC1)C(=O)N=c1nc([C@@H](C)OC)[n-]s1 ZINC000511141243 1026448287 /nfs/dbraw/zinc/44/82/87/1026448287.db2.gz RRSHFEWWINYACT-TZMCWYRMSA-N -1 0 339.505 3.993 20 0 EHADRM C[C@@H](NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)c1ccccc1Cl ZINC000325011207 1026523002 /nfs/dbraw/zinc/52/30/02/1026523002.db2.gz BVUBFBZFLQFTQC-BFUOFWGJSA-N -1 0 345.826 3.950 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)CC2(C(=O)[O-])CCCCCC2)cc1 ZINC000325182031 1026587733 /nfs/dbraw/zinc/58/77/33/1026587733.db2.gz AUARAHPOIGHBFX-CQSZACIVSA-N -1 0 333.428 3.688 20 0 EHADRM O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc([O-])c(Cl)c1 ZINC000031263829 1026593735 /nfs/dbraw/zinc/59/37/35/1026593735.db2.gz BFLWKNYSOUYYLD-HNNXBMFYSA-N -1 0 347.798 3.856 20 0 EHADRM Cc1cc(C(=O)[O-])cc(-n2nc(-c3ccncc3)c3cc(N)ccc32)c1 ZINC001211549211 1026615521 /nfs/dbraw/zinc/61/55/21/1026615521.db2.gz HJNQNEWXTXGRKM-UHFFFAOYSA-N -1 0 344.374 3.676 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2cc(F)ccc2OCC2CC2)c1 ZINC000192985026 1026658300 /nfs/dbraw/zinc/65/83/00/1026658300.db2.gz IFYUJSOIRZZDHY-UHFFFAOYSA-N -1 0 329.327 3.565 20 0 EHADRM CCc1cc(=O)[nH]c(-c2ccc(N(C)Cc3ccccc3C)nc2)n1 ZINC000301184328 1026714730 /nfs/dbraw/zinc/71/47/30/1026714730.db2.gz RALZNDFQVAXJCI-UHFFFAOYSA-N -1 0 334.423 3.751 20 0 EHADRM CC[C@](C)(CC(=O)[O-])C(=O)Nc1cc(C)ccc1Br ZINC000634827204 1026867986 /nfs/dbraw/zinc/86/79/86/1026867986.db2.gz PZZLOPJVIWDECM-CQSZACIVSA-N -1 0 328.206 3.587 20 0 EHADRM Cc1cc(C)c(-c2cccc(CO[C@H]3CCOC3)c2)cc1C(=O)[O-] ZINC000563437381 1026953043 /nfs/dbraw/zinc/95/30/43/1026953043.db2.gz IOQPNJAQLQSYBU-KRWDZBQOSA-N -1 0 326.392 3.974 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1)CO2 ZINC000531654631 1027159625 /nfs/dbraw/zinc/15/96/25/1027159625.db2.gz DMTAPOVZWCYVCE-JXFKEZNVSA-N -1 0 345.439 3.606 20 0 EHADRM Cc1csc(-c2cccc(NC(=O)[C@@H]3CC[C@H](C(=O)[O-])C3)c2)n1 ZINC000414428425 1027181320 /nfs/dbraw/zinc/18/13/20/1027181320.db2.gz AWTMACPZKGMTCO-YPMHNXCESA-N -1 0 330.409 3.558 20 0 EHADRM CC[C@@](CNC(=O)c1sccc1C1CC1)(C(=O)[O-])c1ccccc1 ZINC000414434180 1027242100 /nfs/dbraw/zinc/24/21/00/1027242100.db2.gz CRUOJAXTLRPCPR-IBGZPJMESA-N -1 0 343.448 3.788 20 0 EHADRM CC(C)(C)c1ccc(CN=c2[n-]nc(C3CCOCC3)s2)s1 ZINC000453049985 1027264633 /nfs/dbraw/zinc/26/46/33/1027264633.db2.gz DZNKAEGBFZNAJS-UHFFFAOYSA-N -1 0 337.514 3.825 20 0 EHADRM Cc1oc(CN(C)C(=O)Cc2coc3cc(C)ccc23)cc1C(=O)[O-] ZINC000531744045 1027294694 /nfs/dbraw/zinc/29/46/94/1027294694.db2.gz FUESQJRMBDTYSM-UHFFFAOYSA-N -1 0 341.363 3.542 20 0 EHADRM O=C([O-])CC1(NC(=O)Cc2cc(Cl)ccc2Cl)CCCCC1 ZINC000531748478 1027303650 /nfs/dbraw/zinc/30/36/50/1027303650.db2.gz VYILOHDSNJWLPQ-UHFFFAOYSA-N -1 0 344.238 3.830 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)[C@@H](C)CC2CCCCC2)c1 ZINC000531749284 1027306738 /nfs/dbraw/zinc/30/67/38/1027306738.db2.gz QAVVFUSMTHHLIL-KSSFIOAISA-N -1 0 347.455 3.934 20 0 EHADRM COCCc1nsc([N-]c2cnn(-c3cc(C)ccc3C)c2C)n1 ZINC000302837040 1027317719 /nfs/dbraw/zinc/31/77/19/1027317719.db2.gz XDBVBTOYVAYROW-UHFFFAOYSA-N -1 0 343.456 3.582 20 0 EHADRM Cc1onc(-c2ccccn2)c1C(=O)Nc1cc(-c2ccccc2)on1 ZINC000127752786 1027349984 /nfs/dbraw/zinc/34/99/84/1027349984.db2.gz YXKRUICNJSODEG-UHFFFAOYSA-N -1 0 346.346 3.952 20 0 EHADRM COCCOc1cccc(-c2ccc(OCCCC(=O)[O-])cc2)c1 ZINC000582737295 1027376454 /nfs/dbraw/zinc/37/64/54/1027376454.db2.gz XSCGYTVPFFPTIH-UHFFFAOYSA-N -1 0 330.380 3.622 20 0 EHADRM C[C@H]1c2ccsc2CCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000273384331 1027406692 /nfs/dbraw/zinc/40/66/92/1027406692.db2.gz NLPGUTGGJCGQKI-ZETCQYMHSA-N -1 0 327.327 3.631 20 0 EHADRM Cc1ccc(S[C@@H](C)C(=O)N(CC(=O)[O-])Cc2ccccc2)cc1 ZINC000347360924 1027425158 /nfs/dbraw/zinc/42/51/58/1027425158.db2.gz ICFKWUBNSHJSTJ-HNNXBMFYSA-N -1 0 343.448 3.589 20 0 EHADRM O=C(NC1CCC(O)(c2ccccc2)CC1)c1ccc([O-])c(Cl)c1 ZINC000273628867 1027525099 /nfs/dbraw/zinc/52/50/99/1027525099.db2.gz AYTMNKIDKAPODF-UHFFFAOYSA-N -1 0 345.826 3.606 20 0 EHADRM [O-]c1ccc(-c2nc([C@H]3COc4ccccc4O3)no2)cc1Cl ZINC000320920414 1027553151 /nfs/dbraw/zinc/55/31/51/1027553151.db2.gz HAHIVTKNSWHXLC-CQSZACIVSA-N -1 0 330.727 3.608 20 0 EHADRM CC(C)c1cnc(-c2ccc(NC(=O)[C@@H]3CC[C@H](C(=O)[O-])C3)cc2)o1 ZINC000414459411 1027615524 /nfs/dbraw/zinc/61/55/24/1027615524.db2.gz XBUMZQBJNIVBQW-KGLIPLIRSA-N -1 0 342.395 3.904 20 0 EHADRM CC[C@@H]1C[C@H](N=c2[n-]nc(Cc3ccc(Cl)cc3)s2)CCO1 ZINC000420642121 1027665361 /nfs/dbraw/zinc/66/53/61/1027665361.db2.gz SLIANRGJYQFUCB-ZIAGYGMSSA-N -1 0 337.876 3.574 20 0 EHADRM COc1ccc2c(c1)CCC[C@@H]2CC(=O)NCCCCCCC(=O)[O-] ZINC000237312049 1027678332 /nfs/dbraw/zinc/67/83/32/1027678332.db2.gz JRTDJGVQDYMSPK-MRXNPFEDSA-N -1 0 347.455 3.657 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1ccc2nccnc2c1 ZINC000389430729 1027726120 /nfs/dbraw/zinc/72/61/20/1027726120.db2.gz YBSOUYGIXXNWHY-UHFFFAOYSA-N -1 0 334.162 3.895 20 0 EHADRM C[C@]1(C(=O)Nc2cccc(CCC(=O)[O-])c2)CCc2ccccc2C1 ZINC000262535455 1027773337 /nfs/dbraw/zinc/77/33/37/1027773337.db2.gz QHANTKLWHPBELR-NRFANRHFSA-N -1 0 337.419 3.838 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc(OC3CCCCC3)cc2)C1 ZINC000422583004 1027805443 /nfs/dbraw/zinc/80/54/43/1027805443.db2.gz BRCRBRPJLJHKCY-ZBFHGGJFSA-N -1 0 345.439 3.581 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc(OC3CCCCC3)cc2)C1 ZINC000422583002 1027806816 /nfs/dbraw/zinc/80/68/16/1027806816.db2.gz BRCRBRPJLJHKCY-GOEBONIOSA-N -1 0 345.439 3.581 20 0 EHADRM CCC[C@@H](CC1CCCCC1)C(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000582812389 1027810013 /nfs/dbraw/zinc/81/00/13/1027810013.db2.gz YNYJGVZMGNYBQR-INIZCTEOSA-N -1 0 348.491 3.603 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2CCCC[C@H]2Cc2ccccc2)s1 ZINC000503510321 1027834323 /nfs/dbraw/zinc/83/43/23/1027834323.db2.gz MSJQIPHHFRXKLZ-HNNXBMFYSA-N -1 0 344.484 3.542 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CNC(=O)N=c2ccc(-c3ccccc3)n[n-]2)o1 ZINC000533452134 1027888068 /nfs/dbraw/zinc/88/80/68/1027888068.db2.gz NLISGDOGRQRIFX-CZUORRHYSA-N -1 0 348.406 3.604 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc2cc(F)ccc2s1 ZINC000261877981 1027896848 /nfs/dbraw/zinc/89/68/48/1027896848.db2.gz MBZPUHUGYNVTFV-HONMWMINSA-N -1 0 347.411 3.898 20 0 EHADRM CCc1cc2c(nc(-c3ccc(C[C@@H](C)C(=O)[O-])cc3)[nH]c2=O)s1 ZINC000653474396 1027967366 /nfs/dbraw/zinc/96/73/66/1027967366.db2.gz MMLRSUZBHACXMP-SNVBAGLBSA-N -1 0 342.420 3.890 20 0 EHADRM CSCC(C)(C)C(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000503620494 1027984334 /nfs/dbraw/zinc/98/43/34/1027984334.db2.gz XAAJYAHAVYWTOA-UHFFFAOYSA-N -1 0 341.889 3.608 20 0 EHADRM O=C(N=c1[n-]nc(/C=C/c2ccco2)s1)NC1CCC2(CC2)CC1 ZINC000434205567 1027990663 /nfs/dbraw/zinc/99/06/63/1027990663.db2.gz KOTJVZSOIMHVTC-ONEGZZNKSA-N -1 0 344.440 3.568 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)nn1C(C)C ZINC000421177983 1028054322 /nfs/dbraw/zinc/05/43/22/1028054322.db2.gz WJFITVVXXDIRSZ-UHFFFAOYSA-N -1 0 348.255 3.880 20 0 EHADRM CCC(CC)c1cc(C(=O)[N-]c2nnc(C(F)(F)F)s2)on1 ZINC000133844502 1028072756 /nfs/dbraw/zinc/07/27/56/1028072756.db2.gz NCACJAPNEIZREN-UHFFFAOYSA-N -1 0 334.323 3.701 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2cc(-c3ncco3)ccc2C)cc1 ZINC000134677864 1028137472 /nfs/dbraw/zinc/13/74/72/1028137472.db2.gz SPXYPBHKMVOBIW-UHFFFAOYSA-N -1 0 328.393 3.759 20 0 EHADRM Nc1cccc(-c2cccc(Nc3cc(Cl)cc(C(=O)[O-])c3)n2)n1 ZINC001211958181 1028167030 /nfs/dbraw/zinc/16/70/30/1028167030.db2.gz DEMCAZMUIUXFJY-UHFFFAOYSA-N -1 0 340.770 3.821 20 0 EHADRM COc1cccc(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])c1F ZINC000237339906 1028170355 /nfs/dbraw/zinc/17/03/55/1028170355.db2.gz QGRZLEIVVGZSPD-UHFFFAOYSA-N -1 0 339.322 3.938 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc3cccc(Cl)c3n2)cc1 ZINC000502395534 1028189525 /nfs/dbraw/zinc/18/95/25/1028189525.db2.gz WRCVEJLMLGQXTK-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM COC(=O)c1cnc(Cl)cc1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211960638 1028190749 /nfs/dbraw/zinc/19/07/49/1028190749.db2.gz GVOUZNNKYZOTQS-UHFFFAOYSA-N -1 0 341.150 3.617 20 0 EHADRM O=S(=O)([N-]c1cccnc1Nc1ccccc1)c1cccc(F)c1 ZINC000502447449 1028219455 /nfs/dbraw/zinc/21/94/55/1028219455.db2.gz FLWBUMSBWDRAAP-UHFFFAOYSA-N -1 0 343.383 3.765 20 0 EHADRM Clc1cc(CN=c2[n-]nc(-c3ccon3)s2)c(Cl)s1 ZINC000342932664 1028226732 /nfs/dbraw/zinc/22/67/32/1028226732.db2.gz NJCLQTUTQRHYRN-UHFFFAOYSA-N -1 0 333.225 3.595 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2ccc(N3CCCC3=O)cc2)c1 ZINC001211965111 1028271041 /nfs/dbraw/zinc/27/10/41/1028271041.db2.gz OPSWEDBLTSNGJL-UHFFFAOYSA-N -1 0 330.771 3.909 20 0 EHADRM COc1cc(-c2noc([C@H](C)SC)n2)cc(Br)c1O ZINC000445397751 1028297105 /nfs/dbraw/zinc/29/71/05/1028297105.db2.gz LSHIOBOQACPRJE-LURJTMIESA-N -1 0 345.218 3.637 20 0 EHADRM c1ccc(-c2nc(=N[C@H](c3ccccc3)[C@@H]3CCCO3)s[n-]2)cc1 ZINC000504060636 1028374480 /nfs/dbraw/zinc/37/44/80/1028374480.db2.gz SFKCBSPAPAGWQD-DLBZAZTESA-N -1 0 337.448 3.959 20 0 EHADRM COCCOc1cccc(-c2ccc(S[C@H](C)C(=O)[O-])cc2)c1 ZINC000582975279 1028420898 /nfs/dbraw/zinc/42/08/98/1028420898.db2.gz LDUFRMPDOONSGH-CYBMUJFWSA-N -1 0 332.421 3.944 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N[C@H](CC(C)(C)C)C(=O)[O-])c1 ZINC000401364438 1028467448 /nfs/dbraw/zinc/46/74/48/1028467448.db2.gz STVKJLNNCAWOCO-GFCCVEGCSA-N -1 0 329.849 3.681 20 0 EHADRM O=C([O-])C1(CNC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)CCCCC1 ZINC000261841457 1028514243 /nfs/dbraw/zinc/51/42/43/1028514243.db2.gz ITRNPCZOCPHLNQ-NEPJUHHUSA-N -1 0 335.366 3.506 20 0 EHADRM O=C(NCc1sccc1Br)c1cc(O)ccc1Cl ZINC000236555972 1028551251 /nfs/dbraw/zinc/55/12/51/1028551251.db2.gz GXBDFANVAKQAQD-UHFFFAOYSA-N -1 0 346.633 3.800 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000236610019 1028558514 /nfs/dbraw/zinc/55/85/14/1028558514.db2.gz QXYZDXUDDYBFGE-SCRDCRAPSA-N -1 0 344.238 3.712 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000502705275 1028578114 /nfs/dbraw/zinc/57/81/14/1028578114.db2.gz KPAAUGVLVQJFDQ-LBPRGKRZSA-N -1 0 341.411 3.583 20 0 EHADRM CC[C@@H](C)c1cc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)on1 ZINC000236893976 1028593513 /nfs/dbraw/zinc/59/35/13/1028593513.db2.gz LXDVOERWOZHSCF-LLVKDONJSA-N -1 0 348.424 3.758 20 0 EHADRM Cc1cc(C)cc(CN(C)C(=O)N=c2[n-]nc(-c3ccco3)s2)c1 ZINC000434155694 1028636214 /nfs/dbraw/zinc/63/62/14/1028636214.db2.gz VLOMFDYLFSZOHK-UHFFFAOYSA-N -1 0 342.424 3.501 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cccc3ccc(C)nc32)c(C)c1 ZINC000074858936 1028636463 /nfs/dbraw/zinc/63/64/63/1028636463.db2.gz UFIRUBOIQVWSHL-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM CCn1c(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc2ccccc21 ZINC000237199455 1028640640 /nfs/dbraw/zinc/64/06/40/1028640640.db2.gz BNCCMNUVMOFLNJ-MRXNPFEDSA-N -1 0 336.391 3.607 20 0 EHADRM [O-]c1ccc(-c2nc(-c3cccc(-n4cccn4)c3)no2)cc1Cl ZINC000445236991 1028646035 /nfs/dbraw/zinc/64/60/35/1028646035.db2.gz WNOLBHKIIFPXFM-UHFFFAOYSA-N -1 0 338.754 3.948 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2ccc(C(=O)[O-])cc2)C2CC2)o1 ZINC000237464034 1028653827 /nfs/dbraw/zinc/65/38/27/1028653827.db2.gz ULEGCMHJDUENOX-SJKOYZFVSA-N -1 0 339.391 3.906 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1cc2cc(F)ccc2[nH]1 ZINC000237612501 1028659395 /nfs/dbraw/zinc/65/93/95/1028659395.db2.gz CNEMTWMUYCITIW-MRXNPFEDSA-N -1 0 340.354 3.561 20 0 EHADRM Cc1csc(-c2cccc(NC(=O)CC(C)(C)CC(=O)[O-])c2)n1 ZINC000237820632 1028668348 /nfs/dbraw/zinc/66/83/48/1028668348.db2.gz HLCKCOBMUBWUIL-UHFFFAOYSA-N -1 0 332.425 3.948 20 0 EHADRM O=C([O-])c1ccc2[nH]c3c(c2c1)CN(C(=O)CCC1CCCC1)CC3 ZINC000238047961 1028676888 /nfs/dbraw/zinc/67/68/88/1028676888.db2.gz JRAQGPSRQDZDIH-UHFFFAOYSA-N -1 0 340.423 3.721 20 0 EHADRM CC[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1onc(C2CC2)c1Cl ZINC001212017463 1028744682 /nfs/dbraw/zinc/74/46/82/1028744682.db2.gz DFOYANCTDWQRRV-PWSUYJOCSA-N -1 0 346.880 3.700 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)NCC1(c2ccccc2)CCCC1)C1CC1 ZINC000574705436 1028745253 /nfs/dbraw/zinc/74/52/53/1028745253.db2.gz BLFQDACVAMIBGA-QGZVFWFLSA-N -1 0 344.455 3.536 20 0 EHADRM COc1ccc2sc(C(=O)N3CCC[C@H](C)[C@H]3C(=O)[O-])c(C)c2c1 ZINC000424256136 1028913885 /nfs/dbraw/zinc/91/38/85/1028913885.db2.gz MFYOYPOTLSQBJP-BONVTDFDSA-N -1 0 347.436 3.544 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000424254792 1028914023 /nfs/dbraw/zinc/91/40/23/1028914023.db2.gz TWEZWXKKMSPYFQ-SJLPKXTDSA-N -1 0 331.456 3.810 20 0 EHADRM Cc1ccc2cc(C(=O)N=c3nc(Cc4ccccc4)[n-]s3)[nH]c2c1 ZINC000503055111 1029025573 /nfs/dbraw/zinc/02/55/73/1029025573.db2.gz ZCSZIRKTQVMFCE-UHFFFAOYSA-N -1 0 348.431 3.593 20 0 EHADRM CC(C)C[C@H](C)n1nccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000524297442 1029059185 /nfs/dbraw/zinc/05/91/85/1029059185.db2.gz ZOZAQCOWYXHBQW-NSHDSACASA-N -1 0 343.399 3.569 20 0 EHADRM C[C@H](NC(=O)NCCC(C)(C)C(=O)[O-])c1cc2ccccc2s1 ZINC000424450007 1029067115 /nfs/dbraw/zinc/06/71/15/1029067115.db2.gz MRBDLMLMOWOGDY-NSHDSACASA-N -1 0 334.441 3.762 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)C[C@@H](C)c1cccc(F)c1 ZINC000237372402 1029087870 /nfs/dbraw/zinc/08/78/70/1029087870.db2.gz IGYWZCVCFLATCL-KDOFPFPSSA-N -1 0 343.398 3.960 20 0 EHADRM Cc1cccc(C2(C(=O)N=c3nc(-c4ccccc4)[n-]s3)CC2)c1 ZINC000503182845 1029121720 /nfs/dbraw/zinc/12/17/20/1029121720.db2.gz AERJBRLAHILORK-UHFFFAOYSA-N -1 0 335.432 3.606 20 0 EHADRM CC(C)(C)CCS(=O)(=O)[N-][C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000583179458 1029128752 /nfs/dbraw/zinc/12/87/52/1029128752.db2.gz SIIXVPAVBPRSGY-LBPRGKRZSA-N -1 0 341.370 3.785 20 0 EHADRM O=C(Nc1nc(C2CCC2)cs1)c1nn(-c2ccccc2)cc1[O-] ZINC000487517608 1029163387 /nfs/dbraw/zinc/16/33/87/1029163387.db2.gz KKUISLLADSAWCO-UHFFFAOYSA-N -1 0 340.408 3.554 20 0 EHADRM O=C([O-])[C@@H](CC(=O)NC1(c2ccc(F)cc2)CCC1)c1ccccc1 ZINC000634872547 1029208538 /nfs/dbraw/zinc/20/85/38/1029208538.db2.gz PBDLPSKDCXIJJD-KRWDZBQOSA-N -1 0 341.382 3.580 20 0 EHADRM CC(C)[C@@H]1CCCN(C(=O)N=c2[n-]nc(-c3ccco3)s2)CC1 ZINC000524481157 1029238880 /nfs/dbraw/zinc/23/88/80/1029238880.db2.gz KWBQNHJPYPFNCQ-GFCCVEGCSA-N -1 0 334.445 3.510 20 0 EHADRM CCOc1ccc(CCC(=O)NCCCCCCCC(=O)[O-])cc1 ZINC000271974136 1029252560 /nfs/dbraw/zinc/25/25/60/1029252560.db2.gz SNAMHNOQIOHZBC-UHFFFAOYSA-N -1 0 335.444 3.559 20 0 EHADRM Cc1cc(=NC(=O)CCCc2ccc(Cl)c(Cl)c2)[n-]nc1C ZINC000524514107 1029258412 /nfs/dbraw/zinc/25/84/12/1029258412.db2.gz PGWWHQIBHAUWLS-UHFFFAOYSA-N -1 0 338.238 3.784 20 0 EHADRM COC[C@@H](C)Oc1cccc(-c2ccc(C(=O)CCC(=O)[O-])cc2)c1 ZINC000583215136 1029259546 /nfs/dbraw/zinc/25/95/46/1029259546.db2.gz MGHPZTUJIPZVFV-CQSZACIVSA-N -1 0 342.391 3.815 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CCC(=O)c2cc(C)sc2C)c1 ZINC000272023115 1029275704 /nfs/dbraw/zinc/27/57/04/1029275704.db2.gz ABQMUHMOGZPXKJ-UHFFFAOYSA-N -1 0 345.420 3.875 20 0 EHADRM Cc1ccc2cc(S(=O)(=O)[N-]c3nnc(CC(C)C)o3)ccc2c1 ZINC000564412291 1029288142 /nfs/dbraw/zinc/28/81/42/1029288142.db2.gz JQJYYBXMRTWFSE-UHFFFAOYSA-N -1 0 345.424 3.531 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@H](C)CCOc2ccccc2)c1 ZINC000272095814 1029308647 /nfs/dbraw/zinc/30/86/47/1029308647.db2.gz LVQLAOXAELOQFB-CYBMUJFWSA-N -1 0 327.380 3.639 20 0 EHADRM Cc1c2cc(C)ccc2sc1C(=O)N=c1[n-]nc(C(F)F)s1 ZINC000446021763 1029335032 /nfs/dbraw/zinc/33/50/32/1029335032.db2.gz TUSZCASMDRVIAM-UHFFFAOYSA-N -1 0 339.392 3.981 20 0 EHADRM CCO[C@H](CNC(=O)CC1(CC(=O)[O-])CCCCC1)c1ccccc1 ZINC000446062249 1029375333 /nfs/dbraw/zinc/37/53/33/1029375333.db2.gz MYLGDWBNMTWTPI-QGZVFWFLSA-N -1 0 347.455 3.696 20 0 EHADRM CCc1oc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1C(=O)[O-] ZINC000261658536 1029470591 /nfs/dbraw/zinc/47/05/91/1029470591.db2.gz NOTCQIFYBNWTEJ-UHFFFAOYSA-N -1 0 340.335 3.811 20 0 EHADRM CCc1oc(C(=O)N2CCC[C@H]2c2ccccc2OC)cc1C(=O)[O-] ZINC000261615243 1029475517 /nfs/dbraw/zinc/47/55/17/1029475517.db2.gz GOTNPBCRGIOWLD-AWEZNQCLSA-N -1 0 343.379 3.526 20 0 EHADRM CC[C@@H]1C[C@]1(NC(=O)N=c1ccc(C2CC2)n[n-]1)c1cccc(C)c1 ZINC000505377888 1029498758 /nfs/dbraw/zinc/49/87/58/1029498758.db2.gz UWMVIHDHDQIADJ-FOIQADDNSA-N -1 0 336.439 3.531 20 0 EHADRM CCc1ccc(O)c(C(=O)N2C[C@@H](C)O[C@@H](c3ccsc3)C2)c1 ZINC000150868754 1029513530 /nfs/dbraw/zinc/51/35/30/1029513530.db2.gz BYNWKBQTYZHDGA-SJKOYZFVSA-N -1 0 331.437 3.618 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2F)CC[C@H]1c1ccccc1 ZINC000262327572 1029585324 /nfs/dbraw/zinc/58/53/24/1029585324.db2.gz DMYMLPLJZAHLAN-CZUORRHYSA-N -1 0 341.382 3.790 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)C(F)(F)F ZINC000446348117 1029590054 /nfs/dbraw/zinc/59/00/54/1029590054.db2.gz HZGCNZHWKBAFIB-UPONEAKYSA-N -1 0 327.705 3.892 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCC2(c3ccccc3Cl)CC2)s1 ZINC000262722936 1029628528 /nfs/dbraw/zinc/62/85/28/1029628528.db2.gz FOFLIPBTWQTALJ-UHFFFAOYSA-N -1 0 335.812 3.561 20 0 EHADRM C[C@]1(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)CCCC[C@@H]1C(=O)[O-] ZINC000262831250 1029641488 /nfs/dbraw/zinc/64/14/88/1029641488.db2.gz QIAXAWJVILFAKK-LWGWVAHUSA-N -1 0 335.831 3.593 20 0 EHADRM CC(C)c1ccc(C(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)cc1 ZINC000262952409 1029653323 /nfs/dbraw/zinc/65/33/23/1029653323.db2.gz QTTFNFUGGWKHQE-OALUTQOASA-N -1 0 337.419 3.750 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2cccc(-c3cccs3)c2)C1 ZINC000263086772 1029665024 /nfs/dbraw/zinc/66/50/24/1029665024.db2.gz IKPAAKBRUNVRCD-TZMCWYRMSA-N -1 0 344.436 3.990 20 0 EHADRM CC[C@@](CNC(=O)c1cc(C)c(C)s1)(C(=O)[O-])c1ccccc1 ZINC000263091966 1029665809 /nfs/dbraw/zinc/66/58/09/1029665809.db2.gz VQYLCDSSJVABPS-SFHVURJKSA-N -1 0 331.437 3.527 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@@H]1CCSc2ccccc21 ZINC000263207846 1029674300 /nfs/dbraw/zinc/67/43/00/1029674300.db2.gz WCOAITJQAYTXAM-DZGCQCFKSA-N -1 0 333.453 3.512 20 0 EHADRM C/C=C/C[C@H](NC(=O)C(C)(C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000263237660 1029679031 /nfs/dbraw/zinc/67/90/31/1029679031.db2.gz DGRIXDRRPQJIDE-IHVVCDCBSA-N -1 0 343.345 3.519 20 0 EHADRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)C[C@H](C)CC(C)C)c1 ZINC000263257347 1029681506 /nfs/dbraw/zinc/68/15/06/1029681506.db2.gz VYJZKELLGRZLGV-KUHUBIRLSA-N -1 0 335.444 3.574 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000263295805 1029684674 /nfs/dbraw/zinc/68/46/74/1029684674.db2.gz MZARZDUVLXZIIQ-WCQGTBRESA-N -1 0 344.238 3.542 20 0 EHADRM C[C@H](C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000263394036 1029692931 /nfs/dbraw/zinc/69/29/31/1029692931.db2.gz ZDYWEXGYSNLDMX-SCVCMEIPSA-N -1 0 344.238 3.666 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C(=O)c1cc(C(=O)[O-])ccn1)C1CC1 ZINC000263398331 1029695143 /nfs/dbraw/zinc/69/51/43/1029695143.db2.gz IEURRVNGOJJULG-LLVKDONJSA-N -1 0 344.798 3.799 20 0 EHADRM Cc1c(C(=O)[O-])cnn1-c1cccc(NC(=O)CCC(C)(C)C)c1 ZINC000263420152 1029696835 /nfs/dbraw/zinc/69/68/35/1029696835.db2.gz IPNLZDUIDMHNHF-UHFFFAOYSA-N -1 0 329.400 3.644 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccc(CC(F)(F)F)cc2)[C@H](C(=O)[O-])C1 ZINC000583359666 1029708258 /nfs/dbraw/zinc/70/82/58/1029708258.db2.gz DFTZLQCWCIDWCZ-GWCFXTLKSA-N -1 0 344.333 3.508 20 0 EHADRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000446627603 1029729098 /nfs/dbraw/zinc/72/90/98/1029729098.db2.gz GGPZYTDGBFNBOU-UHFFFAOYSA-N -1 0 341.429 3.665 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2nc(C(C)C)cs2)cc1C ZINC000525212636 1029754943 /nfs/dbraw/zinc/75/49/43/1029754943.db2.gz NRTXCILSTIUXIZ-UHFFFAOYSA-N -1 0 340.470 3.774 20 0 EHADRM O=C([O-])C1CCC(CC(=O)NC2(c3cccc(Cl)c3)CC2)CC1 ZINC000583443465 1029839341 /nfs/dbraw/zinc/83/93/41/1029839341.db2.gz OKUMLVLCQXXHJP-UHFFFAOYSA-N -1 0 335.831 3.726 20 0 EHADRM CCN=c1[n-]nc(S[C@H](C)Cc2ccc3ccccc3n2)s1 ZINC000481761684 1029940064 /nfs/dbraw/zinc/94/00/64/1029940064.db2.gz QKMBRRLHARJSFX-LLVKDONJSA-N -1 0 330.482 3.663 20 0 EHADRM C[C@@H]1C[C@@H](CSc2n[n-]c(=NC3CCCCC3)s2)CCO1 ZINC000447104702 1029942353 /nfs/dbraw/zinc/94/23/53/1029942353.db2.gz BEKVPWOAIVWIEP-NEPJUHHUSA-N -1 0 327.519 3.612 20 0 EHADRM CO[C@H](C)c1nc(=NCCc2cc(Cl)cc(Cl)c2)s[n-]1 ZINC000509650921 1029946922 /nfs/dbraw/zinc/94/69/22/1029946922.db2.gz RSKYQRSCKCLUEB-MRVPVSSYSA-N -1 0 332.256 3.629 20 0 EHADRM CC(C)CC(CC(C)C)NC(=O)N=c1[n-]nc(C(F)(F)F)s1 ZINC000509644094 1029961142 /nfs/dbraw/zinc/96/11/42/1029961142.db2.gz QQNPHFJIRAMLAI-UHFFFAOYSA-N -1 0 338.399 3.561 20 0 EHADRM Cc1cc2sc([N-]S(=O)(=O)c3cccc(F)c3)nc2cc1F ZINC000481884896 1030100260 /nfs/dbraw/zinc/10/02/60/1030100260.db2.gz QABNJYRUQYYRJN-UHFFFAOYSA-N -1 0 340.376 3.684 20 0 EHADRM CC(C)(C)CNC(=O)N=c1[n-]nc(-c2c(F)cccc2Cl)s1 ZINC000481915197 1030117369 /nfs/dbraw/zinc/11/73/69/1030117369.db2.gz BTHPWTPERPMFQE-UHFFFAOYSA-N -1 0 342.827 3.587 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N3C[C@H](C)C[C@H]3C)s2)c1 ZINC000481953599 1030132887 /nfs/dbraw/zinc/13/28/87/1030132887.db2.gz XYFCHGTYXCCWBJ-CHWSQXEVSA-N -1 0 330.457 3.506 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)c1 ZINC000481961494 1030136320 /nfs/dbraw/zinc/13/63/20/1030136320.db2.gz ODDRXWYIOIGCTD-UHFFFAOYSA-N -1 0 345.342 3.579 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2oc3ccccc3c2C)s1 ZINC000042316498 1030143062 /nfs/dbraw/zinc/14/30/62/1030143062.db2.gz NQGRSRDXTCTXAP-UHFFFAOYSA-N -1 0 335.406 3.805 20 0 EHADRM CCCCOc1cccc([N-]S(=O)(=O)c2sccc2OC)c1 ZINC000120987520 1030148289 /nfs/dbraw/zinc/14/82/89/1030148289.db2.gz YGGIOBWBCATSSI-UHFFFAOYSA-N -1 0 341.454 3.736 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)ccn1)c1c(Cl)cccc1Cl ZINC000088329886 1030205285 /nfs/dbraw/zinc/20/52/85/1030205285.db2.gz SNGUGUTWVHAFMB-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1cc(Cl)ccc1C ZINC000126903341 1030259193 /nfs/dbraw/zinc/25/91/93/1030259193.db2.gz JMZSXEIGOLOASW-UHFFFAOYSA-N -1 0 326.805 3.623 20 0 EHADRM C[C@H](CC(C)(C)NC(=O)N1CCC(Cc2ccccc2)CC1)C(=O)[O-] ZINC000583673345 1030422596 /nfs/dbraw/zinc/42/25/96/1030422596.db2.gz ZUOQYKDKTUWPBX-OAHLLOKOSA-N -1 0 346.471 3.540 20 0 EHADRM CCCOc1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccc(OC)c(F)c2)cc1 ZINC000583670009 1030426883 /nfs/dbraw/zinc/42/68/83/1030426883.db2.gz VHQNTLLJVLOQKF-GOSISDBHSA-N -1 0 347.386 3.539 20 0 EHADRM COc1cc(Cl)c(S(=O)(=O)[N-]c2cscc2C)cc1OC ZINC000447775130 1030475652 /nfs/dbraw/zinc/47/56/52/1030475652.db2.gz GGKXKKWVHFDURD-UHFFFAOYSA-N -1 0 347.845 3.528 20 0 EHADRM CC[C@@H](C(=O)N=c1cc(-c2ccc(C)o2)[n-][nH]1)c1ccc(OC)cc1 ZINC000447799656 1030484424 /nfs/dbraw/zinc/48/44/24/1030484424.db2.gz KUKSEYPGYBFKSC-OAHLLOKOSA-N -1 0 339.395 3.541 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)c3cc(C)n(C(C)C)c3C)[nH][n-]2)o1 ZINC000447801774 1030485558 /nfs/dbraw/zinc/48/55/58/1030485558.db2.gz FFHYCPQAKKRIDQ-UHFFFAOYSA-N -1 0 326.400 3.652 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)C[C@H](C)C2CCCCC2)c1 ZINC000532260453 1030509016 /nfs/dbraw/zinc/50/90/16/1030509016.db2.gz KVPVBLZVYYLPTQ-KSSFIOAISA-N -1 0 347.455 3.934 20 0 EHADRM CC[C@H](C(=O)Nc1ccccc1-n1ccc(C(=O)[O-])n1)c1ccccc1 ZINC000447892926 1030572697 /nfs/dbraw/zinc/57/26/97/1030572697.db2.gz JYEFWGKSDCKYPD-HNNXBMFYSA-N -1 0 349.390 3.703 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2=Cc3cc(Cl)ccc3OC2)c(F)c1 ZINC000392127039 1030665154 /nfs/dbraw/zinc/66/51/54/1030665154.db2.gz AFZGTAXIFNYEIV-UHFFFAOYSA-N -1 0 347.729 3.592 20 0 EHADRM CSc1ccc(CNC(=O)c2cc(F)c([O-])c(Cl)c2)cc1 ZINC000194484674 1030694725 /nfs/dbraw/zinc/69/47/25/1030694725.db2.gz RSSHIPWVMVWMNR-UHFFFAOYSA-N -1 0 325.792 3.837 20 0 EHADRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ncc(C(C)C)s1 ZINC000278432009 1030794925 /nfs/dbraw/zinc/79/49/25/1030794925.db2.gz ZJQKZCISDGKKCY-UHFFFAOYSA-N -1 0 346.861 3.729 20 0 EHADRM Cc1cc(F)ccc1CN=c1[n-]nc(-c2cccc(OC(F)F)c2)o1 ZINC000550960704 1030834099 /nfs/dbraw/zinc/83/40/99/1030834099.db2.gz KFZBWDVNSJWCKK-UHFFFAOYSA-N -1 0 349.312 3.820 20 0 EHADRM O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1cccc(Cl)c1[O-] ZINC000172111738 1030837471 /nfs/dbraw/zinc/83/74/71/1030837471.db2.gz LHGGMFYMGSZDJL-GFCCVEGCSA-N -1 0 344.798 3.575 20 0 EHADRM CCOCc1cccc([N-]S(=O)(=O)c2ccc(C)cc2Cl)c1 ZINC000102320469 1030893702 /nfs/dbraw/zinc/89/37/02/1030893702.db2.gz ZKTJKGZGIUEVLB-UHFFFAOYSA-N -1 0 339.844 3.986 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H]2CCc3ccc(-c4ccccc4)cc32)C1 ZINC000262819559 1030920848 /nfs/dbraw/zinc/92/08/48/1030920848.db2.gz ATBRKFNKPUFMMJ-NLWGTHIKSA-N -1 0 349.430 3.958 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)Cc1ccc(Cl)cc1Cl ZINC000262813450 1030923808 /nfs/dbraw/zinc/92/38/08/1030923808.db2.gz BDJYGYAUCVKWPF-HNNXBMFYSA-N -1 0 332.227 3.542 20 0 EHADRM CCc1cccnc1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000551020283 1030927690 /nfs/dbraw/zinc/92/76/90/1030927690.db2.gz JUWDIJLZQJPTOE-UHFFFAOYSA-N -1 0 349.214 3.891 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)N1CCC[C@]2(CC=CCC2)C1 ZINC000448353213 1031000611 /nfs/dbraw/zinc/00/06/11/1031000611.db2.gz GORMQKYGKWPIHT-OAQYLSRUSA-N -1 0 348.450 3.920 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)Cc3cccc(C(F)F)c3)[nH][n-]2)o1 ZINC000448375417 1031007619 /nfs/dbraw/zinc/00/76/19/1031007619.db2.gz NPGWWPAQKKTDCX-UHFFFAOYSA-N -1 0 331.322 3.519 20 0 EHADRM CCCc1ccccc1[N-]S(=O)(=O)c1ccccc1C(=O)OCC ZINC000194606818 1031055372 /nfs/dbraw/zinc/05/53/72/1031055372.db2.gz GXWVPYXQVMPFLV-UHFFFAOYSA-N -1 0 347.436 3.617 20 0 EHADRM CC(C)(C)CN(Cc1ccccc1)C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000668229779 1031082515 /nfs/dbraw/zinc/08/25/15/1031082515.db2.gz TXKROFGHBRSYSI-UHFFFAOYSA-N -1 0 339.395 3.617 20 0 EHADRM CCc1nc([C@H](C)NC(=O)c2cc(F)cc(Cl)c2[O-])cs1 ZINC000151195284 1031085834 /nfs/dbraw/zinc/08/58/34/1031085834.db2.gz ILVYJSWITMBLQK-ZETCQYMHSA-N -1 0 328.796 3.695 20 0 EHADRM CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1cccc(C)c1Cl ZINC000783876992 1031118504 /nfs/dbraw/zinc/11/85/04/1031118504.db2.gz MLRVZAWTCJQQHL-UHFFFAOYSA-N -1 0 341.791 3.791 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC000262901800 1031155420 /nfs/dbraw/zinc/15/54/20/1031155420.db2.gz ISRCYXAFELCXNS-BJJXKVORSA-N -1 0 349.427 3.706 20 0 EHADRM CO[C@@H](c1ccccc1Cl)[C@H](C)N=c1[n-]nc(C(C)C)s1 ZINC000477045348 1031212468 /nfs/dbraw/zinc/21/24/68/1031212468.db2.gz IKSXPGSLYPIPLU-GXFFZTMASA-N -1 0 325.865 3.925 20 0 EHADRM CC1(C)CN(C(=O)c2cccc(Br)c2[O-])[C@@H]2CCC[C@@H]21 ZINC000583955148 1031225175 /nfs/dbraw/zinc/22/51/75/1031225175.db2.gz GVFKOIDZXBEYMV-WCQYABFASA-N -1 0 338.245 3.805 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc([C@@H]3CCCOC3)cc2)cc1 ZINC000668268063 1031355395 /nfs/dbraw/zinc/35/53/95/1031355395.db2.gz FEAJNYAQMGMGHO-MRXNPFEDSA-N -1 0 325.364 3.531 20 0 EHADRM COc1cc(C)c([N-]S(=O)(=O)c2cc(Cl)ccc2F)cc1F ZINC000551467469 1031365509 /nfs/dbraw/zinc/36/55/09/1031365509.db2.gz WXYXTXBAELPPTE-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM Clc1ccc(Cl)c(CN=c2[n-]nc(-c3ccccn3)s2)c1 ZINC000483835644 1031368594 /nfs/dbraw/zinc/36/85/94/1031368594.db2.gz NCKOJAGXDFDCMX-UHFFFAOYSA-N -1 0 337.235 3.941 20 0 EHADRM Cc1cc2occ(C(=O)N3CC[C@](C(=O)[O-])(C(C)C)C3)c2cc1C ZINC000668288036 1031397514 /nfs/dbraw/zinc/39/75/14/1031397514.db2.gz PKEIHORQVRQWJK-LJQANCHMSA-N -1 0 329.396 3.623 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccsc2Cl)[C@H]2CCCC[C@@H]12 ZINC000668294999 1031411570 /nfs/dbraw/zinc/41/15/70/1031411570.db2.gz HUHMFSCQTWOSTC-UMNHJUIQSA-N -1 0 327.833 3.507 20 0 EHADRM CO[C@H](C)c1nc(CN=c2nc(-c3ccccc3C)[n-]s2)cs1 ZINC000527919191 1031455163 /nfs/dbraw/zinc/45/51/63/1031455163.db2.gz FQTMZAHPAXSYIA-LLVKDONJSA-N -1 0 346.481 3.711 20 0 EHADRM CC(C)[C@H](CC(=O)N=c1ccc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000484159101 1031479731 /nfs/dbraw/zinc/47/97/31/1031479731.db2.gz JSXLLZOVNMECQD-ZDUSSCGKSA-N -1 0 337.345 3.686 20 0 EHADRM CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1F ZINC000484237966 1031499283 /nfs/dbraw/zinc/49/92/83/1031499283.db2.gz YWIUFIFGFKKILC-UHFFFAOYSA-N -1 0 327.352 3.553 20 0 EHADRM CCO[C@H]1C[C@@H](N(C)C(=O)c2cc(F)c([O-])c(Cl)c2)C12CCC2 ZINC000194859160 1031571293 /nfs/dbraw/zinc/57/12/93/1031571293.db2.gz CSVUGHNAWPUKMC-KGLIPLIRSA-N -1 0 341.810 3.604 20 0 EHADRM Cc1ccsc1-c1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c(C)c1 ZINC000584064527 1031615081 /nfs/dbraw/zinc/61/50/81/1031615081.db2.gz FWGGZYSUSWKAAX-OAHLLOKOSA-N -1 0 343.448 3.969 20 0 EHADRM CCc1ccccc1[C@@H](CC(=O)[O-])NCc1nc(C(C)(C)C)co1 ZINC000904027348 1031634421 /nfs/dbraw/zinc/63/44/21/1031634421.db2.gz ZCFZMPKOCUYPPM-OAHLLOKOSA-N -1 0 330.428 3.840 20 0 EHADRM COc1ccc(C)nc1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000178200943 1031640575 /nfs/dbraw/zinc/64/05/75/1031640575.db2.gz NEJKZYDMNYUECL-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CCCc1nc(C)c(CN=c2nc(-c3ccccc3C)[n-]s2)o1 ZINC000528023302 1031640587 /nfs/dbraw/zinc/64/05/87/1031640587.db2.gz AEJZATCRBWTXJJ-UHFFFAOYSA-N -1 0 328.441 3.796 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(-c2ccccc2)on1 ZINC000085235266 1031719763 /nfs/dbraw/zinc/71/97/63/1031719763.db2.gz KBEFIBXZTPYUND-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM Cc1nsc(NC2CC2)c1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000551961327 1031802945 /nfs/dbraw/zinc/80/29/45/1031802945.db2.gz GDZIJTMQJQBJKK-UHFFFAOYSA-N -1 0 341.795 3.776 20 0 EHADRM Cc1ccc(F)cc1NCc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904198493 1031845918 /nfs/dbraw/zinc/84/59/18/1031845918.db2.gz FVLKYKXRXPUBGP-UHFFFAOYSA-N -1 0 332.375 3.640 20 0 EHADRM O=C([O-])N[C@H]1C[C@H](Nc2ccc(N3CCCC3)c(Cl)c2)C12CCC2 ZINC000904200384 1031847480 /nfs/dbraw/zinc/84/74/80/1031847480.db2.gz TWCPBJOWVWNAIJ-HOTGVXAUSA-N -1 0 349.862 3.931 20 0 EHADRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N(CC(C)C)C(C)C)n2)c1 ZINC000537730626 1031872484 /nfs/dbraw/zinc/87/24/84/1031872484.db2.gz OQZKNWKQJPIDRY-UHFFFAOYSA-N -1 0 333.407 3.532 20 0 EHADRM Cc1cc2ccccc2c(NC(=O)C[C@]2(C(=O)[O-])CCSC2)c1 ZINC000666107583 1031931046 /nfs/dbraw/zinc/93/10/46/1031931046.db2.gz NVNYDJYWXSDJFP-GOSISDBHSA-N -1 0 329.421 3.685 20 0 EHADRM CCc1ncc(S(=O)(=O)[N-]c2ccc(O[C@@H](C)CC)cc2)s1 ZINC000460764528 1032013410 /nfs/dbraw/zinc/01/34/10/1032013410.db2.gz ZJSNGLKNAWWIPA-NSHDSACASA-N -1 0 340.470 3.684 20 0 EHADRM CCN(Cc1cccc(Cl)c1)C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000574640164 1033330802 /nfs/dbraw/zinc/33/08/02/1033330802.db2.gz GEUWKMVDSMBPGM-UHFFFAOYSA-N -1 0 337.847 3.970 20 0 EHADRM Cc1cc2occ(CC(=O)N[C@@H](C)[C@H](C)C(=O)[O-])c2cc1C(C)C ZINC000263385109 1033369063 /nfs/dbraw/zinc/36/90/63/1033369063.db2.gz BWMYUUDTRZCFAL-STQMWFEESA-N -1 0 331.412 3.633 20 0 EHADRM c1ccc(OCC2CC2)c(CN=c2[n-]nc(CC3CCCC3)o2)c1 ZINC000537490960 1033378034 /nfs/dbraw/zinc/37/80/34/1033378034.db2.gz VSVDXBSFLOQIFV-UHFFFAOYSA-N -1 0 327.428 3.625 20 0 EHADRM [O-]c1c(F)cc(-c2noc(CSC3CC3)n2)cc1Br ZINC000598683209 1033382314 /nfs/dbraw/zinc/38/23/14/1033382314.db2.gz KTQCKKZUFTYFFH-UHFFFAOYSA-N -1 0 345.193 3.739 20 0 EHADRM C[C@@H]1CCCCCN1C(=O)c1cc(Br)c(F)cc1[O-] ZINC000449902878 1033403234 /nfs/dbraw/zinc/40/32/34/1033403234.db2.gz RBPOPFHXWYOHRY-SECBINFHSA-N -1 0 330.197 3.699 20 0 EHADRM COc1c(C)cc(C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)cc1C ZINC000588617105 1033425775 /nfs/dbraw/zinc/42/57/75/1033425775.db2.gz GCFOYZCTDXKXHQ-TWGQIWQCSA-N -1 0 325.364 3.662 20 0 EHADRM C[C@@H](NC(=O)CCCc1cccs1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000455954671 1033613762 /nfs/dbraw/zinc/61/37/62/1033613762.db2.gz STLBZROKGANNGV-PBHICJAKSA-N -1 0 345.464 3.519 20 0 EHADRM COCCOc1c(F)cc(Nc2ccc(C(=O)[O-])cc2C)cc1F ZINC001211626789 1033615812 /nfs/dbraw/zinc/61/58/12/1033615812.db2.gz XHEFWUIRHTYSSH-UHFFFAOYSA-N -1 0 337.322 3.740 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c2ccccc21 ZINC000608340022 1033619388 /nfs/dbraw/zinc/61/93/88/1033619388.db2.gz DWZWKHAWLMDDLN-JKIFEVAISA-N -1 0 327.424 3.582 20 0 EHADRM O=C(Nc1ccc2ncsc2c1)c1ccc2[n-]c(=S)oc2c1 ZINC000173962277 1033631242 /nfs/dbraw/zinc/63/12/42/1033631242.db2.gz ZFNATGKQIKPOOK-UHFFFAOYSA-N -1 0 327.390 3.979 20 0 EHADRM C[C@@H](N=c1[n-]c(-c2ccccc2)no1)c1ccc(-n2cccn2)cc1 ZINC000608368874 1033641770 /nfs/dbraw/zinc/64/17/70/1033641770.db2.gz WYSQLBRMOHUHDU-CQSZACIVSA-N -1 0 331.379 3.517 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1C[C@@H]2CCCN2c2ccccc21 ZINC000574871467 1033686786 /nfs/dbraw/zinc/68/67/86/1033686786.db2.gz ALOWGYIGIFSUGV-LBPRGKRZSA-N -1 0 346.789 3.814 20 0 EHADRM COc1ccc(CN=c2[n-]nc(S[C@H]3C=CCCC3)s2)cc1 ZINC000595153632 1033703437 /nfs/dbraw/zinc/70/34/37/1033703437.db2.gz RJHBVXXPJAFBTR-AWEZNQCLSA-N -1 0 333.482 3.782 20 0 EHADRM CSCc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)cc1 ZINC000595246248 1033717986 /nfs/dbraw/zinc/71/79/86/1033717986.db2.gz XYSQJKXSJKPPJU-ULQDDVLXSA-N -1 0 347.480 3.655 20 0 EHADRM CC[C@H]1CCCCCN1C(=O)c1cccc(Br)c1[O-] ZINC000608489472 1033744096 /nfs/dbraw/zinc/74/40/96/1033744096.db2.gz ADIDALSOWVTWHQ-NSHDSACASA-N -1 0 326.234 3.950 20 0 EHADRM Cc1n[n-]c(=NC(=O)N2CCC[C@H]2c2ccc(C(C)C)cc2)s1 ZINC000533921947 1033800308 /nfs/dbraw/zinc/80/03/08/1033800308.db2.gz BMIDSTAYGPHXRC-HNNXBMFYSA-N -1 0 330.457 3.761 20 0 EHADRM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(C)C)cc2)cc1 ZINC000046929455 1033896192 /nfs/dbraw/zinc/89/61/92/1033896192.db2.gz WWYBQOUFQWBQIS-UHFFFAOYSA-N -1 0 345.420 3.706 20 0 EHADRM CC[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C(C)=O)cc1)c1ccccc1 ZINC000046929547 1033899673 /nfs/dbraw/zinc/89/96/73/1033899673.db2.gz SSEVVZKJYVWJPS-QGZVFWFLSA-N -1 0 345.420 3.728 20 0 EHADRM COc1cc(-c2nc(=O)c3c(C)c(C)sc3[nH]2)cc(Cl)c1[O-] ZINC000055492790 1033976861 /nfs/dbraw/zinc/97/68/61/1033976861.db2.gz WIYJHZRFPLOJID-UHFFFAOYSA-N -1 0 336.800 3.636 20 0 EHADRM CSCCc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000609015989 1033977442 /nfs/dbraw/zinc/97/74/42/1033977442.db2.gz QPJBIXWFLFZLOX-UHFFFAOYSA-N -1 0 343.420 3.671 20 0 EHADRM Cc1ccc(Nc2nc(CN3CCC(C)(C(=O)[O-])CC3)cs2)cc1 ZINC000647376556 1034077531 /nfs/dbraw/zinc/07/75/31/1034077531.db2.gz VAWHAWYQTNVUGD-UHFFFAOYSA-N -1 0 345.468 3.882 20 0 EHADRM CCSCc1ccc(C(=O)N=c2[n-]nc(C(C)(C)C)s2)cc1 ZINC000604020977 1034145454 /nfs/dbraw/zinc/14/54/54/1034145454.db2.gz BPXQTENFBIBWIX-UHFFFAOYSA-N -1 0 335.498 3.763 20 0 EHADRM CCCCN(C(=O)c1s[n-]c(=O)c1Cl)[C@@H]1CCCC[C@H]1OC ZINC000456195620 1034195394 /nfs/dbraw/zinc/19/53/94/1034195394.db2.gz QJYQMGQCYBGBKC-GHMZBOCLSA-N -1 0 346.880 3.702 20 0 EHADRM Cc1cc(=NC(=O)c2ccccc2SCc2ccco2)[n-]nc1C ZINC000604233455 1034287352 /nfs/dbraw/zinc/28/73/52/1034287352.db2.gz GOWWKNMFOGWJOY-UHFFFAOYSA-N -1 0 339.420 3.653 20 0 EHADRM Cc1c2nc([N-]S(=O)(=O)Cc3ccccc3)sc2ccc1F ZINC000534242594 1034287763 /nfs/dbraw/zinc/28/77/63/1034287763.db2.gz QWFZLEBCTMINRC-UHFFFAOYSA-N -1 0 336.413 3.686 20 0 EHADRM C[C@H](Oc1cccc(/C=C2\C(=O)Nc3cc(Cl)ccc32)c1)C(=O)[O-] ZINC000060212486 1034296029 /nfs/dbraw/zinc/29/60/29/1034296029.db2.gz YAFBQIKAHFMWLQ-SOOGHKCXSA-N -1 0 343.766 3.685 20 0 EHADRM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(Cl)nc1C ZINC000227942443 1034364416 /nfs/dbraw/zinc/36/44/16/1034364416.db2.gz NEHGARUOSJXAEF-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CCc1oc(C(=O)N2CC[C@@H](c3ccccc3)C[C@@H]2C)cc1C(=O)[O-] ZINC000450532026 1034465842 /nfs/dbraw/zinc/46/58/42/1034465842.db2.gz LWQAHECFPWAXRZ-DZGCQCFKSA-N -1 0 341.407 3.949 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000450533272 1034469082 /nfs/dbraw/zinc/46/90/82/1034469082.db2.gz SVTBJLGTZCWDIM-NRSFXHEJSA-N -1 0 329.440 3.672 20 0 EHADRM COc1cccc([C@@H]2CN(C(=O)c3ccc(O)cc3F)CC2(C)C)c1 ZINC000529726137 1034514891 /nfs/dbraw/zinc/51/48/91/1034514891.db2.gz BLDNHZKWXCHYRI-KRWDZBQOSA-N -1 0 343.398 3.806 20 0 EHADRM Cc1nc2cc([N-]S(=O)(=O)c3cccc(C)c3Cl)ccc2[nH]1 ZINC000343811410 1034557918 /nfs/dbraw/zinc/55/79/18/1034557918.db2.gz ICQAJOGWDRBIIE-UHFFFAOYSA-N -1 0 335.816 3.634 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]C(=O)c1cccc2ccccc21 ZINC000060495129 1034611991 /nfs/dbraw/zinc/61/19/91/1034611991.db2.gz RNSGWBYSRTXGTA-UHFFFAOYSA-N -1 0 325.389 3.842 20 0 EHADRM FC1(F)CC(CSc2n[n-]c(=NCc3ccccc3)s2)C1 ZINC000450634371 1034623477 /nfs/dbraw/zinc/62/34/77/1034623477.db2.gz FRFRXDYJEFHMPP-UHFFFAOYSA-N -1 0 327.425 3.710 20 0 EHADRM CCc1sc(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2C)cc1C ZINC000060498661 1034627784 /nfs/dbraw/zinc/62/77/84/1034627784.db2.gz DLERLPBPQWNIFQ-UHFFFAOYSA-N -1 0 337.466 3.929 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1cccc(Cl)c1Cl ZINC000605165272 1034641827 /nfs/dbraw/zinc/64/18/27/1034641827.db2.gz YEDZHDLXCFOVBM-WCQGTBRESA-N -1 0 342.222 3.838 20 0 EHADRM CCCN(C(=O)N=c1[n-]nc2ccccn21)[C@H](CC)c1ccccc1 ZINC000605199072 1034658985 /nfs/dbraw/zinc/65/89/85/1034658985.db2.gz HPRQVVMHUQFGJK-MRXNPFEDSA-N -1 0 337.427 3.546 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N[C@@H]2CSc3ccccc32)s1 ZINC000605189275 1034668178 /nfs/dbraw/zinc/66/81/78/1034668178.db2.gz ITGAYRNBXGXURU-GFCCVEGCSA-N -1 0 348.497 3.661 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)C2(C(F)(F)F)CCC2)s[n-]1 ZINC000450703245 1034716886 /nfs/dbraw/zinc/71/68/86/1034716886.db2.gz SISMKAZNFFUJNY-UHFFFAOYSA-N -1 0 347.387 3.668 20 0 EHADRM CCc1cccc(CC)c1N=c1[n-]nc(SCC2(C)COC2)s1 ZINC000605364727 1034719589 /nfs/dbraw/zinc/71/95/89/1034719589.db2.gz UFNCBEJTIOJWRB-UHFFFAOYSA-N -1 0 349.525 3.957 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000431646661 1034776232 /nfs/dbraw/zinc/77/62/32/1034776232.db2.gz DTFRPMXDHXBWNM-UHFFFAOYSA-N -1 0 347.798 3.709 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cncc3ccccc32)c(F)cc1F ZINC000534673393 1034807733 /nfs/dbraw/zinc/80/77/33/1034807733.db2.gz MOPURKNPKPZIRL-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM CCOC(=O)CCc1c(C)[n-]n(-c2cc(Cl)ccc2Cl)c1=O ZINC000601941611 1034843010 /nfs/dbraw/zinc/84/30/10/1034843010.db2.gz YLGUWPQAHDORLY-LLVKDONJSA-N -1 0 343.210 3.675 20 0 EHADRM CCCOc1ccc(NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])cc1Cl ZINC000601985989 1034848547 /nfs/dbraw/zinc/84/85/47/1034848547.db2.gz NBGKIHRHNBIYCN-ZJUUUORDSA-N -1 0 345.848 3.662 20 0 EHADRM CCCc1ncc(CN=c2[n-]nc(Cc3ccc(Cl)cc3)s2)o1 ZINC000450842373 1034853772 /nfs/dbraw/zinc/85/37/72/1034853772.db2.gz AYEIAAHEHKFOSS-UHFFFAOYSA-N -1 0 348.859 3.757 20 0 EHADRM CSc1nc(=O)n(CCCCc2ccc(Cl)c(Cl)c2)[n-]1 ZINC000450913056 1034932455 /nfs/dbraw/zinc/93/24/55/1034932455.db2.gz UJVAPMPNAOUCDM-UHFFFAOYSA-N -1 0 332.256 3.623 20 0 EHADRM COCCc1nc(=N[C@H]2CC[C@H](c3cccc(Cl)c3)C2)s[n-]1 ZINC000450951211 1034973617 /nfs/dbraw/zinc/97/36/17/1034973617.db2.gz PGWBRMWDXKJNRE-JSGCOSHPSA-N -1 0 337.876 3.551 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)Cc2ccc(C(F)F)cc2)n1 ZINC000450987876 1035002073 /nfs/dbraw/zinc/00/20/73/1035002073.db2.gz YYUYATMAWAFNTJ-UHFFFAOYSA-N -1 0 346.424 3.975 20 0 EHADRM Cc1cc(Cl)ccc1C1=CCN([C@H](C(=O)[O-])c2cccnc2)CC1 ZINC000530172112 1035020439 /nfs/dbraw/zinc/02/04/39/1035020439.db2.gz IYQNQRPISGJEQM-SFHVURJKSA-N -1 0 342.826 3.958 20 0 EHADRM O=C([O-])[C@H]1c2ccoc2CCN1CCc1cc(Cl)cc(Cl)c1 ZINC000530164621 1035034109 /nfs/dbraw/zinc/03/41/09/1035034109.db2.gz BAGGTVDBUTVXOX-OAHLLOKOSA-N -1 0 340.206 3.813 20 0 EHADRM Cc1ccc(-c2ncccc2NS(=O)(=O)CCCCF)s1 ZINC000451040212 1035038407 /nfs/dbraw/zinc/03/84/07/1035038407.db2.gz JWPXDEDKIRMHIS-UHFFFAOYSA-N -1 0 328.434 3.610 20 0 EHADRM O=C([O-])CC1(CC(=O)NCC2CC(c3ccccc3)C2)CCCC1 ZINC000548945978 1035107723 /nfs/dbraw/zinc/10/77/23/1035107723.db2.gz DVUBBHMEHQXHLU-UHFFFAOYSA-N -1 0 329.440 3.722 20 0 EHADRM CC(C)(CC(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000584492792 1035127571 /nfs/dbraw/zinc/12/75/71/1035127571.db2.gz TXWDGPGKFXAIRD-UHFFFAOYSA-N -1 0 346.254 3.888 20 0 EHADRM CCCc1nc(=NC(=O)[C@@H](C)Sc2ccccc2Cl)s[n-]1 ZINC000545259901 1035154239 /nfs/dbraw/zinc/15/42/39/1035154239.db2.gz UBKHUVWHAAZSCO-SECBINFHSA-N -1 0 341.889 3.685 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)n2)ccc1OC(C)C ZINC000162267829 1035242793 /nfs/dbraw/zinc/24/27/93/1035242793.db2.gz SDLVZRNTNQILPL-UHFFFAOYSA-N -1 0 340.832 3.631 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccnn2C2CCCCC2)cc1F ZINC000066248307 1035326923 /nfs/dbraw/zinc/32/69/23/1035326923.db2.gz SWOOERXTGFOJFD-UHFFFAOYSA-N -1 0 337.420 3.637 20 0 EHADRM Cn1ncc(C2CC2)c1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000613158909 1035429298 /nfs/dbraw/zinc/42/92/98/1035429298.db2.gz KFVPGEKIWJIFLI-UHFFFAOYSA-N -1 0 326.183 3.562 20 0 EHADRM CCO[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccccc1C)C1=CCCC1 ZINC000431771165 1035459499 /nfs/dbraw/zinc/45/94/99/1035459499.db2.gz VDIPNVUDQLOGGF-ROUUACIJSA-N -1 0 345.439 3.533 20 0 EHADRM Cc1cccc(NC(=O)c2nn(-c3ccc(F)cc3C)cc2[O-])c1F ZINC000540663639 1035555594 /nfs/dbraw/zinc/55/55/94/1035555594.db2.gz COZRMVWEKGKOSE-UHFFFAOYSA-N -1 0 343.333 3.725 20 0 EHADRM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)CC1CCCCC1 ZINC000547551039 1035565149 /nfs/dbraw/zinc/56/51/49/1035565149.db2.gz HDXAWFDCYWKZDM-UHFFFAOYSA-N -1 0 345.848 3.669 20 0 EHADRM C[C@H](NC(=O)C[C@](C)(C(=O)[O-])c1ccc(Cl)cc1)c1ccccc1 ZINC000414113268 1035574294 /nfs/dbraw/zinc/57/42/94/1035574294.db2.gz NRJXBLNUEMCIGD-DJJJIMSYSA-N -1 0 345.826 3.950 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cc(Cl)ccc1F)C1CCCCC1 ZINC000540704021 1035586049 /nfs/dbraw/zinc/58/60/49/1035586049.db2.gz YGUIOELDRVGYOH-CQSZACIVSA-N -1 0 327.783 3.633 20 0 EHADRM CS(=O)(=O)c1ccc(-c2ccc(C3CCC3)cc2)c(C(=O)[O-])c1 ZINC000520611449 1035591297 /nfs/dbraw/zinc/59/12/97/1035591297.db2.gz MRZQMYPGFFJZDL-UHFFFAOYSA-N -1 0 330.405 3.723 20 0 EHADRM O=C([O-])CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)C1CCC1 ZINC000571723064 1035626250 /nfs/dbraw/zinc/62/62/50/1035626250.db2.gz IPNDLOZXUBZEIZ-UHFFFAOYSA-N -1 0 340.379 3.950 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@H]1CCCN1c1ccccc1 ZINC000376256900 1035641634 /nfs/dbraw/zinc/64/16/34/1035641634.db2.gz WNDNJEVSMMSIAT-OAHLLOKOSA-N -1 0 334.778 3.792 20 0 EHADRM CCCN1Cc2cccc([N-]S(=O)(=O)c3c(C)cccc3F)c2C1 ZINC000186570977 1035660227 /nfs/dbraw/zinc/66/02/27/1035660227.db2.gz ZWDWNKDFQHZTRB-UHFFFAOYSA-N -1 0 348.443 3.661 20 0 EHADRM Cc1coc(-c2cccc(NC(=O)c3cc(F)c([O-])c(F)c3)c2)n1 ZINC000186863470 1035733218 /nfs/dbraw/zinc/73/32/18/1035733218.db2.gz PYFVPIZTFZLIMY-UHFFFAOYSA-N -1 0 330.290 3.886 20 0 EHADRM O=C(N=c1nc(-c2ccsc2)[n-]s1)c1cccc(F)c1Cl ZINC000463743427 1035800671 /nfs/dbraw/zinc/80/06/71/1035800671.db2.gz DIYDZCCXNGNMQJ-UHFFFAOYSA-N -1 0 339.804 3.733 20 0 EHADRM O=C(Nc1cc(Br)cc(Cl)c1[O-])[C@H]1C[C@H]1C1CC1 ZINC000534940679 1035812833 /nfs/dbraw/zinc/81/28/33/1035812833.db2.gz SERZQGNPZXFWOR-IUCAKERBSA-N -1 0 330.609 3.793 20 0 EHADRM CCc1nc(=N[C@H](C)c2ccc(Oc3cccnc3)cc2)s[n-]1 ZINC000571953148 1035847200 /nfs/dbraw/zinc/84/72/00/1035847200.db2.gz MMEIXIQDFVWWLP-GFCCVEGCSA-N -1 0 326.425 3.883 20 0 EHADRM O=S(=O)([N-]c1scnc1C1CC1)c1cc(F)ccc1Cl ZINC000534973536 1035848671 /nfs/dbraw/zinc/84/86/71/1035848671.db2.gz TUVHOXUNUFMHAO-UHFFFAOYSA-N -1 0 332.809 3.614 20 0 EHADRM CC[C@@H](Cc1ccccc1-c1ccc(C(=O)NC)c(C)c1)C(=O)[O-] ZINC000521273508 1035886080 /nfs/dbraw/zinc/88/60/80/1035886080.db2.gz UIYGSELGDXIDBA-AWEZNQCLSA-N -1 0 325.408 3.675 20 0 EHADRM COc1ccc(Cl)c(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000321478771 1035892740 /nfs/dbraw/zinc/89/27/40/1035892740.db2.gz QXQASJLFXUFAEY-NSHDSACASA-N -1 0 340.807 3.600 20 0 EHADRM COc1cccc(N=c2[n-]nc(S[C@@H](C)C(F)(F)F)s2)c1 ZINC000466994835 1035975655 /nfs/dbraw/zinc/97/56/55/1035975655.db2.gz MOZLPMAOHIIZJM-ZETCQYMHSA-N -1 0 335.376 3.755 20 0 EHADRM CC(C)(CNC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)c1cccs1 ZINC000325421581 1036049335 /nfs/dbraw/zinc/04/93/35/1036049335.db2.gz WMDXZEDGTNMVKB-LJQANCHMSA-N -1 0 345.464 3.575 20 0 EHADRM COc1ccc(OC(F)F)c(CNc2cc(C(=O)[O-])ccc2C)c1 ZINC000572265635 1036069692 /nfs/dbraw/zinc/06/96/92/1036069692.db2.gz OVKVOVOAUXXCJN-UHFFFAOYSA-N -1 0 337.322 3.915 20 0 EHADRM CC(C)CCn1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)n1 ZINC000535138721 1036069753 /nfs/dbraw/zinc/06/97/53/1036069753.db2.gz QLGIPDGBRVRRTH-UHFFFAOYSA-N -1 0 345.827 3.523 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CN(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000572413422 1036082655 /nfs/dbraw/zinc/08/26/55/1036082655.db2.gz CTGQLARDDPNCDT-QGZVFWFLSA-N -1 0 347.386 3.607 20 0 EHADRM COc1ccc(/C=C\C(=O)Nc2cc(F)cc(Cl)c2[O-])cc1O ZINC000492671966 1036151265 /nfs/dbraw/zinc/15/12/65/1036151265.db2.gz CPWIPNJCXWNYBW-HYXAFXHYSA-N -1 0 337.734 3.551 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000170747325 1036194272 /nfs/dbraw/zinc/19/42/72/1036194272.db2.gz CXSWMZIGJOPGHZ-UHFFFAOYSA-N -1 0 349.346 3.645 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2c(C)cccc2OC(F)F)c1 ZINC000175015824 1036203943 /nfs/dbraw/zinc/20/39/43/1036203943.db2.gz LFWCABVJGDJUAR-UHFFFAOYSA-N -1 0 345.342 3.845 20 0 EHADRM O=C(/C=C/c1cnc2ccccc2n1)Nc1cc(F)cc(Cl)c1[O-] ZINC000492712183 1036204729 /nfs/dbraw/zinc/20/47/29/1036204729.db2.gz UYRVQTIXPSWLHJ-AATRIKPKSA-N -1 0 343.745 3.780 20 0 EHADRM CCCOc1ccc([C@H](C)Nc2ncccc2C(=O)[O-])cc1OC ZINC000613518663 1036439253 /nfs/dbraw/zinc/43/92/53/1036439253.db2.gz PDORFFCTUZJHCK-LBPRGKRZSA-N -1 0 330.384 3.750 20 0 EHADRM CC(C)c1n[n-]c(=N[C@@H]2CSc3ccc(Br)cc32)o1 ZINC000572711059 1036463658 /nfs/dbraw/zinc/46/36/58/1036463658.db2.gz FLYSQCWVRRZWNX-SNVBAGLBSA-N -1 0 340.246 3.636 20 0 EHADRM COc1cccc([C@H](C)N=c2[n-]nc(Cc3ccc(F)cc3)s2)c1 ZINC000541590834 1036476268 /nfs/dbraw/zinc/47/62/68/1036476268.db2.gz QFWSXUIHGSADDS-LBPRGKRZSA-N -1 0 343.427 3.872 20 0 EHADRM Cc1occc1-c1n[n-]c(=NCc2ccc(C(F)(F)F)c(C)c2)o1 ZINC000414295456 1036504818 /nfs/dbraw/zinc/50/48/18/1036504818.db2.gz NYGRTJBZJWBWTG-UHFFFAOYSA-N -1 0 337.301 3.999 20 0 EHADRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cnc(C(F)(F)F)cc1C ZINC000685902671 1036510376 /nfs/dbraw/zinc/51/03/76/1036510376.db2.gz VNGMSZMCEACRNR-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM CCCc1ccc(C(=O)N[C@H](C)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000263174084 1036602453 /nfs/dbraw/zinc/60/24/53/1036602453.db2.gz WLIVRCDOBNDGHG-CQSZACIVSA-N -1 0 341.407 3.594 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1cc(F)c(Cl)cc1Cl ZINC000263200073 1036625779 /nfs/dbraw/zinc/62/57/79/1036625779.db2.gz JUJMJPLLXUUROR-YIZRAAEISA-N -1 0 348.201 3.811 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)CCc2ccc(Cl)c(Cl)c2)C1 ZINC000263208847 1036633620 /nfs/dbraw/zinc/63/36/20/1036633620.db2.gz LCROPUMEPSQASP-INIZCTEOSA-N -1 0 344.238 3.639 20 0 EHADRM Cc1ccc(CCCC(=O)N(C)c2ccc(OCC(=O)[O-])cc2)s1 ZINC000263204197 1036636067 /nfs/dbraw/zinc/63/60/67/1036636067.db2.gz YWJRIMWZXDTYLD-UHFFFAOYSA-N -1 0 347.436 3.506 20 0 EHADRM CC(C)[C@@H](NC(=O)N=c1ncn(C2CCCCC2)[n-]1)c1ccccc1 ZINC000541794467 1036651158 /nfs/dbraw/zinc/65/11/58/1036651158.db2.gz BMCDQIMDRPNTMY-QGZVFWFLSA-N -1 0 341.459 3.724 20 0 EHADRM Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C\c1cc(C(=O)[O-])ncn1 ZINC000535592734 1036695759 /nfs/dbraw/zinc/69/57/59/1036695759.db2.gz IIOURDIDZVUULD-HJWRWDBZSA-N -1 0 348.406 3.515 20 0 EHADRM COc1ccc(C(=O)[O-])c(-c2ccc(O[C@H]3CCOC3)c(C)c2)c1 ZINC000518796829 1036722689 /nfs/dbraw/zinc/72/26/89/1036722689.db2.gz BDONTOYSBQZNCF-HNNXBMFYSA-N -1 0 328.364 3.537 20 0 EHADRM Cc1nc([C@H](C)NC(=O)c2ccc(Cl)cc2C)sc1C(=O)[O-] ZINC000263269794 1036741642 /nfs/dbraw/zinc/74/16/42/1036741642.db2.gz LWELPAOSLYOTFM-VIFPVBQESA-N -1 0 338.816 3.603 20 0 EHADRM CC[C@H](CC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-])c1ccc(OC)cc1 ZINC000263270511 1036742996 /nfs/dbraw/zinc/74/29/96/1036742996.db2.gz LYWIKJKYAAMCKA-ZTQAJYAQSA-N -1 0 347.455 3.729 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2ccnc3cc(Br)ccc32)C1 ZINC000263281312 1036745603 /nfs/dbraw/zinc/74/56/03/1036745603.db2.gz XHMSWFHGJRMKQJ-MNOVXSKESA-N -1 0 349.228 3.544 20 0 EHADRM C[C@@H]1CCN(C(=O)N=c2ccc(C3CC3)n[n-]2)CC12CCCCC2 ZINC000462281388 1036773187 /nfs/dbraw/zinc/77/31/87/1036773187.db2.gz ZYMLZRXGRQJSMW-CQSZACIVSA-N -1 0 328.460 3.600 20 0 EHADRM O=C([O-])C/C(=C\c1cncnc1)c1nc2cc(Cl)ccc2s1 ZINC000541896597 1036780876 /nfs/dbraw/zinc/78/08/76/1036780876.db2.gz RWODBYPXAFEQSD-XCVCLJGOSA-N -1 0 331.784 3.755 20 0 EHADRM CC(C)c1cc(C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c2ccccc2n1 ZINC000263383161 1036839520 /nfs/dbraw/zinc/83/95/20/1036839520.db2.gz XPWBCXNRZUHLKW-KGLIPLIRSA-N -1 0 340.423 3.541 20 0 EHADRM CCC(CC)(C(=O)N[C@H](C)[C@@H](C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000263410801 1036881394 /nfs/dbraw/zinc/88/13/94/1036881394.db2.gz GZMFIXKPJBAFCS-VXGBXAGGSA-N -1 0 325.836 3.623 20 0 EHADRM Cc1cccc(-c2ccc(CNC(=O)CC(C)(C)C(=O)[O-])cc2)c1 ZINC000237728884 1036894147 /nfs/dbraw/zinc/89/41/47/1036894147.db2.gz JETPAKYHAPJVIU-UHFFFAOYSA-N -1 0 325.408 3.779 20 0 EHADRM C[C@@H](C(=O)N(CCC(=O)[O-])CC1CC1)c1c(Cl)cccc1Cl ZINC000666362135 1036920813 /nfs/dbraw/zinc/92/08/13/1036920813.db2.gz UMBXOUOHWXPWCG-SNVBAGLBSA-N -1 0 344.238 3.810 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])C2CCCCC2)c2ccccc2n1 ZINC000539605493 1036966931 /nfs/dbraw/zinc/96/69/31/1036966931.db2.gz XHUNIFNLGUOSTH-SFHVURJKSA-N -1 0 340.423 3.697 20 0 EHADRM CCC[C@@H]1CCCC[C@@H]1NC(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000590625157 1036973910 /nfs/dbraw/zinc/97/39/10/1036973910.db2.gz DBPGUYYWAVRUBG-NEPJUHHUSA-N -1 0 334.445 3.700 20 0 EHADRM CN(C(=O)c1ccc2[n-]c(=S)oc2c1)[C@@H]1CCc2ccccc2C1 ZINC000174722419 1037004908 /nfs/dbraw/zinc/00/49/08/1037004908.db2.gz GVRLCCMSOUGTKZ-OAHLLOKOSA-N -1 0 338.432 3.746 20 0 EHADRM O=C(N=c1nc(-c2ccsc2)[n-]s1)c1cc(F)cc(Cl)c1 ZINC000464967651 1037018728 /nfs/dbraw/zinc/01/87/28/1037018728.db2.gz SMNRONSAWOJDPU-UHFFFAOYSA-N -1 0 339.804 3.733 20 0 EHADRM C[C@@H](Oc1cccc2ccccc21)C(=O)NC1(CC(=O)[O-])CCCC1 ZINC000263528385 1037046448 /nfs/dbraw/zinc/04/64/48/1037046448.db2.gz LFQJSZQMVHPLAE-CQSZACIVSA-N -1 0 341.407 3.511 20 0 EHADRM Cc1cc(Br)ccc1NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000539675991 1037055853 /nfs/dbraw/zinc/05/58/53/1037055853.db2.gz YRCNLXJOJXXQIX-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM O=C(C=C(C1CC1)C1CC1)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000054429308 1037085731 /nfs/dbraw/zinc/08/57/31/1037085731.db2.gz LOTBTJPPWOQFIK-UHFFFAOYSA-N -1 0 345.464 3.957 20 0 EHADRM CC(C)OCCCSc1n[n-]c(=NCCc2ccccc2)s1 ZINC000590820007 1037091243 /nfs/dbraw/zinc/09/12/43/1037091243.db2.gz FAJLJMQKKIKFPJ-UHFFFAOYSA-N -1 0 337.514 3.522 20 0 EHADRM O=C([O-])CCCCC(=O)NC1c2ccccc2Oc2ccccc21 ZINC000001669937 1037094675 /nfs/dbraw/zinc/09/46/75/1037094675.db2.gz BULAYKCSZFEZNE-UHFFFAOYSA-N -1 0 325.364 3.643 20 0 EHADRM C[C@H]1CC[C@H](NC(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)CC1 ZINC000666526548 1037181013 /nfs/dbraw/zinc/18/10/13/1037181013.db2.gz CPFOYJIVZBNZKU-KOMQPUFPSA-N -1 0 344.455 3.853 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)NCCC2=CCCC2)CC1 ZINC000666538869 1037196420 /nfs/dbraw/zinc/19/64/20/1037196420.db2.gz WEWQPUHWAUMADN-UHFFFAOYSA-N -1 0 342.439 3.774 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)N[C@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC000666543450 1037200625 /nfs/dbraw/zinc/20/06/25/1037200625.db2.gz HJLFLNDWGPTMRW-SZMVWBNQSA-N -1 0 344.455 3.609 20 0 EHADRM C[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(Br)c1[O-] ZINC000539864085 1037302069 /nfs/dbraw/zinc/30/20/69/1037302069.db2.gz GEYXQEPZAULQGE-LLVKDONJSA-N -1 0 346.224 3.742 20 0 EHADRM CC1(C)CC[C@H]1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000659129215 1037331618 /nfs/dbraw/zinc/33/16/18/1037331618.db2.gz IFJUZBDWKVVSOU-AWEZNQCLSA-N -1 0 327.380 3.678 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)[C@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000659144216 1037368835 /nfs/dbraw/zinc/36/88/35/1037368835.db2.gz TZMLMVNPCHQOBH-MOPGFXCFSA-N -1 0 343.467 3.749 20 0 EHADRM COCc1cc(NC(=O)C2CC3(C2)CCCCC3)cc(C(=O)[O-])c1 ZINC000659150204 1037376050 /nfs/dbraw/zinc/37/60/50/1037376050.db2.gz XIDADZSJNMTPOC-UHFFFAOYSA-N -1 0 331.412 3.830 20 0 EHADRM CC(C)C[C@H](C(=O)N[C@@H](C)[C@H](C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000659153387 1037385410 /nfs/dbraw/zinc/38/54/10/1037385410.db2.gz KOIRGAVNXYTIOV-HUBLWGQQSA-N -1 0 325.836 3.695 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)C1(C(=O)[O-])CC2(CCC2)C1)C(F)(F)F ZINC000659153177 1037385904 /nfs/dbraw/zinc/38/59/04/1037385904.db2.gz ILVPCVPNMRTSIX-JTQLQIEISA-N -1 0 335.366 3.505 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1 ZINC000659153641 1037386170 /nfs/dbraw/zinc/38/61/70/1037386170.db2.gz LMMSNJHXXXZBJP-JKSUJKDBSA-N -1 0 339.391 3.752 20 0 EHADRM O=C([O-])c1ccc([C@H](NC(=O)[C@@H]2CCC[C@H]3C[C@H]32)C(F)(F)F)cc1 ZINC000659156056 1037388242 /nfs/dbraw/zinc/38/82/42/1037388242.db2.gz INGJDNKJXWBSPE-DGAVXFQQSA-N -1 0 341.329 3.541 20 0 EHADRM CC1(C)CCC(CC(=O)N2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)CC1 ZINC000659165161 1037397204 /nfs/dbraw/zinc/39/72/04/1037397204.db2.gz FMKDTXSVKWODHI-OLZOCXBDSA-N -1 0 349.393 3.705 20 0 EHADRM Cc1cccc(C)c1[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000659168287 1037409430 /nfs/dbraw/zinc/40/94/30/1037409430.db2.gz UWXBLTIDKYZJEB-IKGGRYGDSA-N -1 0 329.440 3.858 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2ccc(Cl)c(C)c2)n1 ZINC000659181822 1037432081 /nfs/dbraw/zinc/43/20/81/1037432081.db2.gz DNFCVZBUYUGDFU-ZDUSSCGKSA-N -1 0 335.791 3.523 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2cccc(C)c2Cl)n1 ZINC000659183764 1037435628 /nfs/dbraw/zinc/43/56/28/1037435628.db2.gz YXCDAHPDCAVNOD-LBPRGKRZSA-N -1 0 335.791 3.523 20 0 EHADRM CCCc1ccc(C(=O)Nc2ccn([C@@H](CCC)C(=O)[O-])n2)cc1 ZINC000659186638 1037448705 /nfs/dbraw/zinc/44/87/05/1037448705.db2.gz ZEWSWYZAHPHRFH-HNNXBMFYSA-N -1 0 329.400 3.514 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2sccc2C(C)C)n1 ZINC000659187469 1037450841 /nfs/dbraw/zinc/45/08/41/1037450841.db2.gz PTYZBSGNQAVLDW-GFCCVEGCSA-N -1 0 335.429 3.746 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(C3CC3)cc2)[C@H]2CCCC[C@H]12 ZINC000659193795 1037461553 /nfs/dbraw/zinc/46/15/53/1037461553.db2.gz QOUQNEPUOPVNBN-KURKYZTESA-N -1 0 327.424 3.670 20 0 EHADRM C[C@H](CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21)c1ccc(F)cc1 ZINC000659196020 1037466164 /nfs/dbraw/zinc/46/61/64/1037466164.db2.gz RYSZMDJEZUEHJY-NKGKWGDASA-N -1 0 347.430 3.811 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)C/C=C/c2ccc(F)cc2)[C@@H]2CCCC[C@H]12 ZINC000659194448 1037466200 /nfs/dbraw/zinc/46/62/00/1037466200.db2.gz LJLPPTFMHPHYEH-SVDWJPHNSA-N -1 0 345.414 3.721 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)c2cc3ccc(Cl)cc3[nH]2)s1 ZINC000491455277 1037481590 /nfs/dbraw/zinc/48/15/90/1037481590.db2.gz GMLPOTIIIJCCHH-UHFFFAOYSA-N -1 0 334.832 3.546 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1Cl ZINC000007402392 1037491199 /nfs/dbraw/zinc/49/11/99/1037491199.db2.gz BLKTWXRNKLPTLV-UHFFFAOYSA-N -1 0 335.734 3.867 20 0 EHADRM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cnn([C@H](C)C2CC2)c1 ZINC000187745424 1037505949 /nfs/dbraw/zinc/50/59/49/1037505949.db2.gz GXVQQLZBJFNFNG-LLVKDONJSA-N -1 0 339.848 3.617 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)N2CCCC23CCC3)s[n-]1 ZINC000573407334 1037506684 /nfs/dbraw/zinc/50/66/84/1037506684.db2.gz CJBACSVGEYKBRV-UHFFFAOYSA-N -1 0 334.470 3.547 20 0 EHADRM CCOCCN(C)C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000089373126 1037521023 /nfs/dbraw/zinc/52/10/23/1037521023.db2.gz OMKPRIPGVGAVCI-UHFFFAOYSA-N -1 0 333.815 3.821 20 0 EHADRM Cc1cccc(N=c2[n-]nc(Sc3ccnc(C)n3)s2)c1C ZINC000462916963 1037547277 /nfs/dbraw/zinc/54/72/77/1037547277.db2.gz LXYDYDDDGMRGOX-UHFFFAOYSA-N -1 0 329.454 3.570 20 0 EHADRM CC(C)Oc1ccc(Cl)cc1C(=O)N[C@H]1CCC[C@]1(C)C(=O)[O-] ZINC000659234572 1037548928 /nfs/dbraw/zinc/54/89/28/1037548928.db2.gz HITGDZCURFFCOG-YOEHRIQHSA-N -1 0 339.819 3.500 20 0 EHADRM CCc1c([N-]S(=O)(=O)c2ccc(C)c(C)c2)cnn1CCC(C)C ZINC000491581503 1037557878 /nfs/dbraw/zinc/55/78/78/1037557878.db2.gz MVDRKDOUOZHJEN-UHFFFAOYSA-N -1 0 349.500 3.909 20 0 EHADRM COc1ccc2sc(C(=O)N[C@H]3CCC[C@]3(C)C(=O)[O-])c(C)c2c1 ZINC000659239242 1037564114 /nfs/dbraw/zinc/56/41/14/1037564114.db2.gz ZKHKCDIRUOYVKZ-KSSFIOAISA-N -1 0 347.436 3.592 20 0 EHADRM O=C(/C=C/[C@H]1CCOC1)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000493706377 1037570072 /nfs/dbraw/zinc/57/00/72/1037570072.db2.gz LYHYTOYTHHOXQH-HIXXPVPXSA-N -1 0 336.602 3.884 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)CCc1c(Cl)cccc1Cl ZINC000659243919 1037573549 /nfs/dbraw/zinc/57/35/49/1037573549.db2.gz WZUXUQYMJLJQNJ-XJKSGUPXSA-N -1 0 344.238 3.686 20 0 EHADRM CCc1c([N-]S(=O)(=O)c2sccc2C)cnn1CCC(C)C ZINC000491601959 1037580692 /nfs/dbraw/zinc/58/06/92/1037580692.db2.gz PPJFTSBIOSXTFL-UHFFFAOYSA-N -1 0 341.502 3.662 20 0 EHADRM O=C([O-])[C@H]([NH2+]Cc1ccc(Cl)nc1)c1ccc(C(F)(F)F)cc1 ZINC000756346334 1037603289 /nfs/dbraw/zinc/60/32/89/1037603289.db2.gz BSCJSXZBQMKMIP-CYBMUJFWSA-N -1 0 344.720 3.669 20 0 EHADRM Cc1nc([C@H](C)NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)sc1C(=O)[O-] ZINC000659141958 1037622193 /nfs/dbraw/zinc/62/21/93/1037622193.db2.gz BRAWCGUQMBXLKE-WUHRBBMRSA-N -1 0 336.457 3.543 20 0 EHADRM CC[C@@H]1Cc2ccccc2CN1C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000573614024 1037631480 /nfs/dbraw/zinc/63/14/80/1037631480.db2.gz QNGULPXAQHVDPE-JTTJXQCZSA-N -1 0 329.440 3.631 20 0 EHADRM CC(C)(CCC(=O)NCC1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC000431854381 1037648325 /nfs/dbraw/zinc/64/83/25/1037648325.db2.gz BVWWANOEKOKICA-UHFFFAOYSA-N -1 0 331.456 3.896 20 0 EHADRM CCC1(C(=O)NCCc2cccc(C(=O)[O-])c2)CCC(F)(F)CC1 ZINC000659142390 1037675821 /nfs/dbraw/zinc/67/58/21/1037675821.db2.gz OCPZDGUIABZXIN-UHFFFAOYSA-N -1 0 339.382 3.649 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(-c3ccccc3Cl)o2)C[C@@]1(C)C(=O)[O-] ZINC000573728683 1037735091 /nfs/dbraw/zinc/73/50/91/1037735091.db2.gz SUHBBTLYCVNCBB-ADLMAVQZSA-N -1 0 347.798 3.783 20 0 EHADRM CCC[C@](C)(NC(=O)c1ccc(C2SCCS2)cc1)C(=O)[O-] ZINC000262174381 1037751520 /nfs/dbraw/zinc/75/15/20/1037751520.db2.gz FLWNIPSDZVFHNY-INIZCTEOSA-N -1 0 339.482 3.538 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)CCc2cc(F)ccc2F)c2ccccc21 ZINC000669435573 1037869334 /nfs/dbraw/zinc/86/93/34/1037869334.db2.gz KJWHUIVDBMITLE-HNNXBMFYSA-N -1 0 345.345 3.503 20 0 EHADRM O=C([O-])CC1(CC(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)CCCCC1 ZINC000532614306 1037920389 /nfs/dbraw/zinc/92/03/89/1037920389.db2.gz KUWGIXAFZDVSOM-MBOZVWFJSA-N -1 0 341.451 3.504 20 0 EHADRM COc1ccc(-c2n[n-]c(=NCc3cccc(C(F)(F)F)c3)o2)cc1 ZINC000463248393 1037936290 /nfs/dbraw/zinc/93/62/90/1037936290.db2.gz OZPGLCCWSPEICN-UHFFFAOYSA-N -1 0 349.312 3.798 20 0 EHADRM CCOC(=O)N[N-]C(=O)c1sc2cccc(Cl)c2c1Cl ZINC000030578893 1038074249 /nfs/dbraw/zinc/07/42/49/1038074249.db2.gz BCUGQUQGZHBRMY-UHFFFAOYSA-N -1 0 333.196 3.599 20 0 EHADRM C[C@@H]1CC[C@H](C)N(C(=O)c2cc(F)cc(Br)c2[O-])C1 ZINC000416171286 1038260403 /nfs/dbraw/zinc/26/04/03/1038260403.db2.gz PENIBVQOSSLXNQ-BDAKNGLRSA-N -1 0 330.197 3.554 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(F)cc2Cl)cccc1N(C)C ZINC000181158901 1038348531 /nfs/dbraw/zinc/34/85/31/1038348531.db2.gz YGXJUWWQJORTLT-UHFFFAOYSA-N -1 0 342.823 3.654 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCC[C@H]1Cc1cc(F)ccc1F ZINC000416253701 1038426068 /nfs/dbraw/zinc/42/60/68/1038426068.db2.gz DMLHCKIBNHJAIY-ZDUSSCGKSA-N -1 0 335.325 3.657 20 0 EHADRM Fc1ccccc1C1(CN=c2[n-]nc(C3CCOCC3)s2)CCC1 ZINC000651361843 1038519778 /nfs/dbraw/zinc/51/97/78/1038519778.db2.gz IRFQQKVZEURAHR-UHFFFAOYSA-N -1 0 347.459 3.527 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ncccc2-c2ccccc2)ccc1F ZINC000538849124 1038562691 /nfs/dbraw/zinc/56/26/91/1038562691.db2.gz LDGOYKICDWDJAV-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM CCN(C(=O)c1cc(F)c(F)c([O-])c1F)c1ccc2[nH]ccc2c1 ZINC000472980239 1038591687 /nfs/dbraw/zinc/59/16/87/1038591687.db2.gz SSRXWCPDXQHSIQ-UHFFFAOYSA-N -1 0 334.297 3.958 20 0 EHADRM CCCOc1ccc([C@@H](C)N=c2nc(CCC)[n-]s2)cc1OC ZINC000461780798 1038608473 /nfs/dbraw/zinc/60/84/73/1038608473.db2.gz UZHUPEJDRYPAQR-GFCCVEGCSA-N -1 0 335.473 3.883 20 0 EHADRM O=C([O-])C1CCN(c2nc3cc(C(F)(F)F)ccc3s2)CC1 ZINC000416387032 1038616859 /nfs/dbraw/zinc/61/68/59/1038616859.db2.gz LKRIQTVYBJQACZ-UHFFFAOYSA-N -1 0 330.331 3.616 20 0 EHADRM CCCc1nc(=NC[C@@H]2CCCO[C@H]2c2ccc(C)cc2)s[n-]1 ZINC000461938590 1038686763 /nfs/dbraw/zinc/68/67/63/1038686763.db2.gz YZPFEIXTCGFZRZ-RDJZCZTQSA-N -1 0 331.485 3.801 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)sc1C ZINC000539113105 1038690533 /nfs/dbraw/zinc/69/05/33/1038690533.db2.gz XUDUPSTZDOPMBJ-UHFFFAOYSA-N -1 0 346.271 3.928 20 0 EHADRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000183393188 1038704454 /nfs/dbraw/zinc/70/44/54/1038704454.db2.gz JKUXJJZPTJJZAS-BQYQJAHWSA-N -1 0 336.775 3.763 20 0 EHADRM CSc1cccc(NC(=O)N=c2[n-]nc(C(C)(C)C)s2)c1C ZINC000539300883 1038757313 /nfs/dbraw/zinc/75/73/13/1038757313.db2.gz QHCBYZWETQQSEL-UHFFFAOYSA-N -1 0 336.486 3.932 20 0 EHADRM Cc1cc2occ(CC(=O)N[C@@]3(C)CCCC[C@H]3C(=O)[O-])c2cc1C ZINC000431888193 1038771777 /nfs/dbraw/zinc/77/17/77/1038771777.db2.gz UZXHAMFOGAKXCJ-JXFKEZNVSA-N -1 0 343.423 3.742 20 0 EHADRM C/C(=C/C(C)(C)C)C(=O)N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000910212398 1038780184 /nfs/dbraw/zinc/78/01/84/1038780184.db2.gz NVHIROKBQIMBGP-LUAWRHEFSA-N -1 0 336.457 3.540 20 0 EHADRM C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)C1 ZINC000910244898 1038784688 /nfs/dbraw/zinc/78/46/88/1038784688.db2.gz IJKPLVXSPWNUPF-BZNIZROVSA-N -1 0 349.390 3.566 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)c1ccoc1CC(=O)[O-] ZINC000910250375 1038789300 /nfs/dbraw/zinc/78/93/00/1038789300.db2.gz IFONJTXAUPXPST-MRXNPFEDSA-N -1 0 343.423 3.699 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccc[nH]2)cc1)c1c(F)cccc1F ZINC000539358333 1038801577 /nfs/dbraw/zinc/80/15/77/1038801577.db2.gz SMHLMEINCSLOGH-UHFFFAOYSA-N -1 0 334.347 3.761 20 0 EHADRM CC(=O)[C@@H](NS(=O)(=O)c1ccccc1C(C)C)c1ccccc1F ZINC000416654018 1038865087 /nfs/dbraw/zinc/86/50/87/1038865087.db2.gz UXIUMRCNJXJKSE-GOSISDBHSA-N -1 0 349.427 3.558 20 0 EHADRM CCC(C)(CC)C(=O)N1CCC(c2nc(C)c(C(=O)[O-])s2)CC1 ZINC000910353734 1038876363 /nfs/dbraw/zinc/87/63/63/1038876363.db2.gz GGOSFDSDQKNPNK-UHFFFAOYSA-N -1 0 338.473 3.682 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)c1Cl ZINC000539400731 1038896479 /nfs/dbraw/zinc/89/64/79/1038896479.db2.gz WACAKKQBCNHKJN-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM Cc1cccc2c(CC(=O)N[C@H](CC(=O)[O-])C3CCCCC3)c[nH]c21 ZINC000554100153 1038905218 /nfs/dbraw/zinc/90/52/18/1038905218.db2.gz HQHUEHMVMYKQGI-QGZVFWFLSA-N -1 0 342.439 3.559 20 0 EHADRM Cc1cc(C(C)C)nc(N[C@@H](C)c2ccc(OCC(=O)[O-])cc2)n1 ZINC000910467637 1038927525 /nfs/dbraw/zinc/92/75/25/1038927525.db2.gz ZWQNCLMEHXPZSF-ZDUSSCGKSA-N -1 0 329.400 3.545 20 0 EHADRM C[C@H](Nc1cc(C(F)(F)F)ccn1)c1ccc(OCC(=O)[O-])cc1 ZINC000910465890 1038927677 /nfs/dbraw/zinc/92/76/77/1038927677.db2.gz FSXZYLKUURBTGP-JTQLQIEISA-N -1 0 340.301 3.737 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccccc2)s1)N1CCC2(C1)CCCCC2 ZINC000479971574 1038966568 /nfs/dbraw/zinc/96/65/68/1038966568.db2.gz SFSSIINUSQIOCL-UHFFFAOYSA-N -1 0 342.468 3.815 20 0 EHADRM CC(C)CCC[C@@H](NC(=O)c1ccc(Cl)c(N)c1Cl)C(=O)[O-] ZINC000910576698 1038971903 /nfs/dbraw/zinc/97/19/03/1038971903.db2.gz WIEUWBCFPXMFBE-LLVKDONJSA-N -1 0 347.242 3.585 20 0 EHADRM COCc1cccc(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000044010325 1038973430 /nfs/dbraw/zinc/97/34/30/1038973430.db2.gz HHUBITOHASMGFW-GIJQJNRQSA-N -1 0 334.759 3.719 20 0 EHADRM O=C([O-])c1cccc(Cc2nc3cc(Cl)c(Cl)cc3c(=O)[nH]2)c1 ZINC000485374175 1038982573 /nfs/dbraw/zinc/98/25/73/1038982573.db2.gz WKFFJGQXNKUMQX-UHFFFAOYSA-N -1 0 349.173 3.519 20 0 EHADRM Cc1oc([C@@H](C)N2CCO[C@H](c3ccc(F)c(C)c3)C2)cc1C(=O)[O-] ZINC000567173294 1039002181 /nfs/dbraw/zinc/00/21/81/1039002181.db2.gz UJBXBQZSTZVOAK-XIKOKIGWSA-N -1 0 347.386 3.868 20 0 EHADRM CC12C[C@H]3C[C@@H](C1)CC(C(=O)Nc1nc(CCC(=O)[O-])cs1)(C3)C2 ZINC000910648839 1039003085 /nfs/dbraw/zinc/00/30/85/1039003085.db2.gz PDTUPIXOODFQPC-CCHVVGMOSA-N -1 0 348.468 3.705 20 0 EHADRM CCc1c(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)cnn1C(CC)CC ZINC000910656320 1039006124 /nfs/dbraw/zinc/00/61/24/1039006124.db2.gz MGUQHXHQHACUAP-UHFFFAOYSA-N -1 0 347.459 3.780 20 0 EHADRM CCOc1ccccc1C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC000910700779 1039027299 /nfs/dbraw/zinc/02/72/99/1039027299.db2.gz MAZAKKLJYMKISY-UHFFFAOYSA-N -1 0 334.397 3.616 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)c2ccoc2C2CC2)nc1C(=O)[O-] ZINC000910722918 1039032897 /nfs/dbraw/zinc/03/28/97/1039032897.db2.gz VGOJXRREIQLDDP-LBPRGKRZSA-N -1 0 346.408 3.597 20 0 EHADRM Cc1ccccc1C(C)(C)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910732748 1039040098 /nfs/dbraw/zinc/04/00/98/1039040098.db2.gz LYAPETYRXPKRSN-UHFFFAOYSA-N -1 0 344.436 3.943 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)/C=C\c2ccsc2)nc1C(=O)[O-] ZINC000910719331 1039057705 /nfs/dbraw/zinc/05/77/05/1039057705.db2.gz HXWDLCFAQZWMDK-RXNFCKPNSA-N -1 0 348.449 3.588 20 0 EHADRM COCc1ccc(NCc2ccc(C(=O)[O-])cn2)cc1C(F)(F)F ZINC000905727629 1039064778 /nfs/dbraw/zinc/06/47/78/1039064778.db2.gz KQPPHKYZVBPACA-UHFFFAOYSA-N -1 0 340.301 3.557 20 0 EHADRM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000500618081 1039072233 /nfs/dbraw/zinc/07/22/33/1039072233.db2.gz OIGMRHSLLJUYDF-SECBINFHSA-N -1 0 337.734 3.583 20 0 EHADRM C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000500619058 1039075420 /nfs/dbraw/zinc/07/54/20/1039075420.db2.gz UFNIZEUNMDZDJB-NSHDSACASA-N -1 0 333.384 3.891 20 0 EHADRM CCC1(C(=O)Nc2nc(C(=O)[O-])c(C)s2)CCC(F)(F)CC1 ZINC000910779713 1039085252 /nfs/dbraw/zinc/08/52/52/1039085252.db2.gz IWUOMCUXHFUTRQ-UHFFFAOYSA-N -1 0 332.372 3.694 20 0 EHADRM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCC(C)(C)CC(=O)[O-] ZINC000910820698 1039095242 /nfs/dbraw/zinc/09/52/42/1039095242.db2.gz HCECVOFZYGABEK-LLVKDONJSA-N -1 0 345.361 3.501 20 0 EHADRM CO[C@H](C)c1nc(=NC(C)(C)Cc2ccccc2Cl)s[n-]1 ZINC000509749320 1039118657 /nfs/dbraw/zinc/11/86/57/1039118657.db2.gz CXMIHWOAIMCBLT-SNVBAGLBSA-N -1 0 325.865 3.754 20 0 EHADRM CCC[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1CC)c1ccccn1 ZINC000910965615 1039162755 /nfs/dbraw/zinc/16/27/55/1039162755.db2.gz OTNPKXQZDHROPP-HNNXBMFYSA-N -1 0 326.396 3.865 20 0 EHADRM O=C(Cc1ccc(F)cc1Br)Nc1ccc(F)cc1O ZINC000485498371 1039163352 /nfs/dbraw/zinc/16/33/52/1039163352.db2.gz WPDOQTBWAIHIMP-UHFFFAOYSA-N -1 0 342.139 3.614 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)CC1 ZINC000911021163 1039186056 /nfs/dbraw/zinc/18/60/56/1039186056.db2.gz ZUOPYDAUZFWMBM-UHFFFAOYSA-N -1 0 347.333 3.581 20 0 EHADRM C[C@@H]1C[C@@H](N=c2[n-]c(C(F)(F)F)c(Br)s2)CS1 ZINC000418972388 1039191128 /nfs/dbraw/zinc/19/11/28/1039191128.db2.gz NPNKEYUVPXLDQK-RFZPGFLSSA-N -1 0 347.225 3.652 20 0 EHADRM CCOC(=O)CCc1ccc(NC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000155723745 1039201577 /nfs/dbraw/zinc/20/15/77/1039201577.db2.gz VGKKTMZJQPBWSV-UHFFFAOYSA-N -1 0 347.798 3.794 20 0 EHADRM Cc1ccc(/C=C\C(=O)Nc2ccccc2CC(=O)[O-])cc1Cl ZINC000320309637 1039230124 /nfs/dbraw/zinc/23/01/24/1039230124.db2.gz CNQCPZUMBHXYLV-HJWRWDBZSA-N -1 0 329.783 3.927 20 0 EHADRM CCCCCC[C@](C)(NC(=O)c1ccc2ncccc2c1)C(=O)[O-] ZINC000236735765 1039246357 /nfs/dbraw/zinc/24/63/57/1039246357.db2.gz APAKOALMJCMCTP-IBGZPJMESA-N -1 0 328.412 3.778 20 0 EHADRM C[C@H](N=c1[n-]nc(C2CCOCC2)s1)c1ccc(C2CC2)cc1 ZINC000419009866 1039255205 /nfs/dbraw/zinc/25/52/05/1039255205.db2.gz WVDWRSXJSATOAR-LBPRGKRZSA-N -1 0 329.469 3.905 20 0 EHADRM CC(C)(CCC(=O)[O-])C(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000911121259 1039256709 /nfs/dbraw/zinc/25/67/09/1039256709.db2.gz SSBJBTMTFPKWRX-UHFFFAOYSA-N -1 0 332.444 3.897 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2C[C@H](C)C[C@@H]2c2ccccc2)s1 ZINC000554387527 1039283517 /nfs/dbraw/zinc/28/35/17/1039283517.db2.gz UGPMRFXOSFZQCV-TZMCWYRMSA-N -1 0 330.457 3.528 20 0 EHADRM CCC[C@H](C(=O)Nc1ccc(OCC(=O)[O-])cc1C)c1ccccc1 ZINC000236995875 1039291038 /nfs/dbraw/zinc/29/10/38/1039291038.db2.gz OWHVKJFSNMTXNK-KRWDZBQOSA-N -1 0 341.407 3.981 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)N2CC(C)(C)C[C@H]2C)s[n-]1 ZINC000417000788 1039310298 /nfs/dbraw/zinc/31/02/98/1039310298.db2.gz RYHQQBKLYNUNHR-SNVBAGLBSA-N -1 0 336.486 3.649 20 0 EHADRM O=C([O-])C1CCC(CC(=O)Nc2ccc(F)cc2NC2CC2)CC1 ZINC000911333194 1039326497 /nfs/dbraw/zinc/32/64/97/1039326497.db2.gz SAEFTIIMOYKHEE-UHFFFAOYSA-N -1 0 334.391 3.620 20 0 EHADRM C[C@@H]1C[C@H](c2cccnc2)N(C(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000911391606 1039342852 /nfs/dbraw/zinc/34/28/52/1039342852.db2.gz WOFCSXQEUQIUQN-BDJLRTHQSA-N -1 0 344.798 3.657 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3CC[C@H](c4cccc(F)c4)C3)(CC1)CC2 ZINC000911371395 1039343738 /nfs/dbraw/zinc/34/37/38/1039343738.db2.gz NQKMVZZSBFTVKC-VMEOHVCESA-N -1 0 345.414 3.567 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F ZINC000237409728 1039359749 /nfs/dbraw/zinc/35/97/49/1039359749.db2.gz YUSMHNPPVQVVKF-ZPBHHCQCSA-N -1 0 349.736 3.655 20 0 EHADRM Cc1ncc(-c2ccccc2)cc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000911430635 1039361326 /nfs/dbraw/zinc/36/13/26/1039361326.db2.gz RLQFDXSWPXWZPS-SJORKVTESA-N -1 0 338.407 3.887 20 0 EHADRM Cc1ccc(CNC(=O)c2ccc(C(=O)[O-])cc2F)c(OC(C)C)c1 ZINC000439783868 1039364372 /nfs/dbraw/zinc/36/43/72/1039364372.db2.gz RMLZOSWCLJQXRI-UHFFFAOYSA-N -1 0 345.370 3.550 20 0 EHADRM COc1cc(C(=O)N2CC(C)(C)[C@H]2c2ccncc2)cc(Cl)c1O ZINC000554484057 1039380207 /nfs/dbraw/zinc/38/02/07/1039380207.db2.gz RSBCEFDFVAUPAU-MRXNPFEDSA-N -1 0 346.814 3.673 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(F)cc2OC(C)(C)C)oc1C(=O)[O-] ZINC000911496765 1039391100 /nfs/dbraw/zinc/39/11/00/1039391100.db2.gz BXRYIMOUKZBQDS-UHFFFAOYSA-N -1 0 335.331 3.855 20 0 EHADRM C[C@@H](Nc1ccccc1NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000911557068 1039411936 /nfs/dbraw/zinc/41/19/36/1039411936.db2.gz DDTZIYTVVNTJDT-BMFZPTHFSA-N -1 0 338.407 3.909 20 0 EHADRM Cc1c(-c2cc(F)ccc2OC[C@@H]2CCOC2)csc1C(=O)[O-] ZINC000906241917 1039428195 /nfs/dbraw/zinc/42/81/95/1039428195.db2.gz VBPKHXQXFSVOGG-LLVKDONJSA-N -1 0 336.384 3.976 20 0 EHADRM CC[C@@H](C(=O)N[C@H](CC(=O)[O-])c1ccncc1)C1CCC(C)CC1 ZINC000911665189 1039447843 /nfs/dbraw/zinc/44/78/43/1039447843.db2.gz ZLHXEQUYHUAVCJ-GMGZGELVSA-N -1 0 332.444 3.566 20 0 EHADRM Cc1cc(F)c(NC(=O)CCO[C@H](C)CC(C)C)cc1C(=O)[O-] ZINC000911680729 1039455909 /nfs/dbraw/zinc/45/59/09/1039455909.db2.gz FVTHFEPWCNNSNJ-GFCCVEGCSA-N -1 0 325.380 3.612 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)Cc1c(C)[nH]c2ccccc21)C(=O)[O-] ZINC000236690468 1039465775 /nfs/dbraw/zinc/46/57/75/1039465775.db2.gz JNQFKEUUPRHHKM-HXUWFJFHSA-N -1 0 344.455 3.949 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)cc1 ZINC000238045153 1039479344 /nfs/dbraw/zinc/47/93/44/1039479344.db2.gz ZRNDQPUJWGKJAA-JKSUJKDBSA-N -1 0 345.345 3.724 20 0 EHADRM CC(C)CCO[C@@H](C)C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC000911739623 1039480712 /nfs/dbraw/zinc/48/07/12/1039480712.db2.gz WCGKAGVRPSOTND-ZDUSSCGKSA-N -1 0 337.416 3.562 20 0 EHADRM CC(C)CCO[C@H](C)C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC000911739622 1039481258 /nfs/dbraw/zinc/48/12/58/1039481258.db2.gz WCGKAGVRPSOTND-CYBMUJFWSA-N -1 0 337.416 3.562 20 0 EHADRM CC(C)Oc1c(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)cccc1C(=O)[O-] ZINC000911733483 1039491162 /nfs/dbraw/zinc/49/11/62/1039491162.db2.gz AGTQOVCPVJFFHL-VNHYZAJKSA-N -1 0 329.396 3.713 20 0 EHADRM CC(C)Oc1c(NC(=O)[C@H](C)Cc2ccco2)cccc1C(=O)[O-] ZINC000911733787 1039491839 /nfs/dbraw/zinc/49/18/39/1039491839.db2.gz INBGTJGXCBZPMT-GFCCVEGCSA-N -1 0 331.368 3.582 20 0 EHADRM O=C([O-])CCCCCNC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000238147654 1039498470 /nfs/dbraw/zinc/49/84/70/1039498470.db2.gz VBTNCTRRCHWVAH-VXGBXAGGSA-N -1 0 344.238 3.858 20 0 EHADRM CC(C)C[C@H](NC(=O)N[C@@H](C)c1cc2ccccc2s1)C(=O)[O-] ZINC000554602979 1039513001 /nfs/dbraw/zinc/51/30/01/1039513001.db2.gz CYLQGJKGEINQQD-AAEUAGOBSA-N -1 0 334.441 3.761 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)[N-]S(=O)(=O)CCCF ZINC000080315690 1039538011 /nfs/dbraw/zinc/53/80/11/1039538011.db2.gz LWSLDPGMFRZHBE-CYBMUJFWSA-N -1 0 345.436 3.532 20 0 EHADRM FC(F)(F)COc1ccc(N=c2nc(C(F)(F)F)[n-]s2)cc1 ZINC000552906856 1039622714 /nfs/dbraw/zinc/62/27/14/1039622714.db2.gz DFHXDVTVNNJLOZ-UHFFFAOYSA-N -1 0 343.252 3.664 20 0 EHADRM CC[C@@H](C)c1ncc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cn1 ZINC000478712265 1039650234 /nfs/dbraw/zinc/65/02/34/1039650234.db2.gz WUNWXLWJLZKCJO-GFCCVEGCSA-N -1 0 333.457 3.716 20 0 EHADRM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)c1 ZINC000485951872 1039733580 /nfs/dbraw/zinc/73/35/80/1039733580.db2.gz CNPHHDVPOJXYSP-ROUUACIJSA-N -1 0 339.391 3.752 20 0 EHADRM Cc1cccc(CO[N-]C(=O)C2(c3cccc(F)c3)CCCC2)n1 ZINC000898936010 1039740578 /nfs/dbraw/zinc/74/05/78/1039740578.db2.gz MABDHHRZZZLYKM-UHFFFAOYSA-N -1 0 328.387 3.589 20 0 EHADRM Cc1cccc(CO[N-]C(=O)[C@@H](C)Sc2ccccc2Cl)n1 ZINC000898936392 1039742140 /nfs/dbraw/zinc/74/21/40/1039742140.db2.gz RTPSXUULCJLPGQ-GFCCVEGCSA-N -1 0 336.844 3.772 20 0 EHADRM CO[C@H](C)c1nsc(NC(=O)c2cc(Cl)cc(Cl)c2[O-])n1 ZINC000898937973 1039745480 /nfs/dbraw/zinc/74/54/80/1039745480.db2.gz BBKIWSPHWCVWLU-RXMQYKEDSA-N -1 0 348.211 3.510 20 0 EHADRM CCOc1cc(/C=C(\CC(=O)[O-])c2nc3ccccc3o2)ccc1O ZINC000007913960 1039749578 /nfs/dbraw/zinc/74/95/78/1039749578.db2.gz OGERAJMVMNYSSY-UKTHLTGXSA-N -1 0 339.347 3.947 20 0 EHADRM CCCc1nc(C)c([N-]S(=O)(=O)c2ccc(CC)s2)s1 ZINC000486130232 1039912965 /nfs/dbraw/zinc/91/29/65/1039912965.db2.gz RPGJRHBRRPOXOY-UHFFFAOYSA-N -1 0 330.500 3.829 20 0 EHADRM O=C(Nc1cccc2ccccc21)c1nn(-c2ccccc2)cc1[O-] ZINC000553274035 1039926246 /nfs/dbraw/zinc/92/62/46/1039926246.db2.gz IGGIEGDTXNCNMH-UHFFFAOYSA-N -1 0 329.359 3.983 20 0 EHADRM C[C@H]1CC(CCN=c2[n-]nc(Cc3ccc(F)cc3)s2)C[C@H](C)O1 ZINC000554933907 1039948867 /nfs/dbraw/zinc/94/88/67/1039948867.db2.gz VPNAWHUBVCCVOF-STQMWFEESA-N -1 0 349.475 3.696 20 0 EHADRM FC(F)(F)c1nc(=NCCc2ccccc2C(F)(F)F)s[n-]1 ZINC000553332092 1039978558 /nfs/dbraw/zinc/97/85/58/1039978558.db2.gz KWBIUJYNHPAONI-UHFFFAOYSA-N -1 0 341.280 3.652 20 0 EHADRM CSCc1cnc(CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])s1 ZINC000417561445 1039986687 /nfs/dbraw/zinc/98/66/87/1039986687.db2.gz LFNFOIISSJRERO-XHDPSFHLSA-N -1 0 336.482 3.558 20 0 EHADRM CC(C)c1ccc(O[C@@H](C)CN=c2[n-]nc(C(F)F)s2)cc1 ZINC000553318968 1039990393 /nfs/dbraw/zinc/99/03/93/1039990393.db2.gz KUZFPYHRAFQBPD-JTQLQIEISA-N -1 0 327.400 3.900 20 0 EHADRM CCC[C@@H](CNC(=O)c1ccc(OC2CCC2)cc1Cl)C(=O)[O-] ZINC000455924940 1040022521 /nfs/dbraw/zinc/02/25/21/1040022521.db2.gz MYTRHOSVNPHYFR-NSHDSACASA-N -1 0 339.819 3.502 20 0 EHADRM CCc1nc(C[NH2+][C@@H](CC(=O)[O-])C23CC4CC(CC(C4)C2)C3)cs1 ZINC000417583521 1040031819 /nfs/dbraw/zinc/03/18/19/1040031819.db2.gz WQQIEXRTMUCVMZ-QAQURRIXSA-N -1 0 348.512 3.855 20 0 EHADRM Cc1ccc(C(=O)CCSc2n[n-]c(=NCC(C)C)s2)cc1 ZINC000479204254 1040032221 /nfs/dbraw/zinc/03/22/21/1040032221.db2.gz BFKDAHHHVDOLPT-UHFFFAOYSA-N -1 0 335.498 3.701 20 0 EHADRM CC[C@@H](C)c1cc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)on1 ZINC000486286166 1040036946 /nfs/dbraw/zinc/03/69/46/1040036946.db2.gz VGNCDAYYHJHMEM-LLVKDONJSA-N -1 0 330.384 3.803 20 0 EHADRM Cc1nn(C)c([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1C ZINC000479247511 1040063888 /nfs/dbraw/zinc/06/38/88/1040063888.db2.gz DZCAPTUFSLPIDX-UHFFFAOYSA-N -1 0 341.436 3.505 20 0 EHADRM Cc1oc(C(C)(C)C)cc1C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000907658991 1040120083 /nfs/dbraw/zinc/12/00/83/1040120083.db2.gz IDSWWOUIUMHIOF-OAHLLOKOSA-N -1 0 347.386 3.623 20 0 EHADRM CCc1nn(C)c(CC)c1CNc1ccc(S[C@@H](C)C(=O)[O-])cc1 ZINC000417660252 1040126294 /nfs/dbraw/zinc/12/62/94/1040126294.db2.gz QBOOBXZKLKKMJL-LBPRGKRZSA-N -1 0 347.484 3.722 20 0 EHADRM CC1(c2ccccc2C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CC1 ZINC000907684561 1040128214 /nfs/dbraw/zinc/12/82/14/1040128214.db2.gz XOUIHUYDHNWJOW-UHFFFAOYSA-N -1 0 327.355 3.757 20 0 EHADRM CC1=C(C)C[C@@](C)(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)CC2)CC1 ZINC000907785980 1040170696 /nfs/dbraw/zinc/17/06/96/1040170696.db2.gz KJVIAUHSTSCWBP-HNNXBMFYSA-N -1 0 347.377 3.769 20 0 EHADRM CCN(C(=O)c1cnc(CC(C)C)s1)c1cccc(C(=O)[O-])c1 ZINC000907787242 1040172261 /nfs/dbraw/zinc/17/22/61/1040172261.db2.gz QEVJGEVIIRJIDN-UHFFFAOYSA-N -1 0 332.425 3.707 20 0 EHADRM CCC[C@H](C(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@H]12)c1cccc(Cl)c1 ZINC000907954422 1040245435 /nfs/dbraw/zinc/24/54/35/1040245435.db2.gz YKGCLXOAVXTJDH-QMPXSYISSA-N -1 0 349.858 3.839 20 0 EHADRM O=S(=O)([N-]c1cc(-c2cccc(Cl)c2)on1)c1ccccc1 ZINC000486568465 1040253693 /nfs/dbraw/zinc/25/36/93/1040253693.db2.gz VEVKABUSVRDIDM-UHFFFAOYSA-N -1 0 334.784 3.796 20 0 EHADRM COCc1n[n-]c(=NCc2ccc(-c3ccccc3)c(C)c2)s1 ZINC000489995586 1040274164 /nfs/dbraw/zinc/27/41/64/1040274164.db2.gz SWSWPCKWKMWZOX-UHFFFAOYSA-N -1 0 325.437 3.694 20 0 EHADRM CN(C(=O)[C@@H]1CCC[C@H]1c1ccccc1)c1cccc(CC(=O)[O-])c1 ZINC000908083015 1040280699 /nfs/dbraw/zinc/28/06/99/1040280699.db2.gz MSRMQRZAMXMVHI-RBUKOAKNSA-N -1 0 337.419 3.860 20 0 EHADRM CN(C(=O)[C@@H]1CCSc2ccccc21)c1cccc(CC(=O)[O-])c1 ZINC000908088691 1040282298 /nfs/dbraw/zinc/28/22/98/1040282298.db2.gz XRSAYXHNXHFVSH-MRXNPFEDSA-N -1 0 341.432 3.556 20 0 EHADRM Cc1occ(C(F)(F)F)c1C(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC000908067078 1040284910 /nfs/dbraw/zinc/28/49/10/1040284910.db2.gz GEGOZFYDGVPPFY-UHFFFAOYSA-N -1 0 339.269 3.508 20 0 EHADRM C[C@H](CC(=O)N(C)c1cccc(CC(=O)[O-])c1)c1ccc(F)cc1F ZINC000908081126 1040289330 /nfs/dbraw/zinc/28/93/30/1040289330.db2.gz XRUVGGSJECBZLF-GFCCVEGCSA-N -1 0 347.361 3.749 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N(C)c2cccc(CC(=O)[O-])c2)cc1 ZINC000908079287 1040290272 /nfs/dbraw/zinc/29/02/72/1040290272.db2.gz WXRJMZMFUJSLRX-CQSZACIVSA-N -1 0 325.408 3.643 20 0 EHADRM Cc1nc(CC(C)C)c(C(=O)N(C)c2cccc(CC(=O)[O-])c2)s1 ZINC000908081129 1040290786 /nfs/dbraw/zinc/29/07/86/1040290786.db2.gz XZVLEQQTMPUXRP-UHFFFAOYSA-N -1 0 346.452 3.554 20 0 EHADRM COc1ccc(CCCCC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000479498673 1040304099 /nfs/dbraw/zinc/30/40/99/1040304099.db2.gz LTWSVDBRDWOCRE-UHFFFAOYSA-N -1 0 345.370 3.884 20 0 EHADRM CCc1cnccc1-c1noc(-c2ccc(Br)cc2[O-])n1 ZINC000165313295 1040324064 /nfs/dbraw/zinc/32/40/64/1040324064.db2.gz SKXKQOLWALZKNV-UHFFFAOYSA-N -1 0 346.184 3.829 20 0 EHADRM Cc1nc2sc3c(c2c(-n2[n-]c(CC4CC4)cc2=O)n1)CCCC3 ZINC000899346677 1040351744 /nfs/dbraw/zinc/35/17/44/1040351744.db2.gz STRKTWBCBXJFCS-UHFFFAOYSA-N -1 0 340.452 3.771 20 0 EHADRM CCC[C@H](NC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1)C(=O)[O-] ZINC000908209840 1040353836 /nfs/dbraw/zinc/35/38/36/1040353836.db2.gz NJPOGDLWVSGPRK-LBPRGKRZSA-N -1 0 331.334 3.510 20 0 EHADRM O=c1c(C(F)(F)F)c(C2CC2)[n-]n1[C@H]1CCc2c1cccc2F ZINC000899356300 1040364569 /nfs/dbraw/zinc/36/45/69/1040364569.db2.gz JICMYVUYHFATTN-STQMWFEESA-N -1 0 326.293 3.600 20 0 EHADRM O=C(Nc1cnn(Cc2ccccc2)c1)c1ccc(Cl)cc1[O-] ZINC000390346819 1040383705 /nfs/dbraw/zinc/38/37/05/1040383705.db2.gz YGORVEIGBRFJSR-UHFFFAOYSA-N -1 0 327.771 3.543 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)Nc2ccc(C(=O)[O-])cc2F)o1 ZINC000479563851 1040386783 /nfs/dbraw/zinc/38/67/83/1040386783.db2.gz CBJBSBZRDRLAPY-IXOXFDKPSA-N -1 0 343.354 3.983 20 0 EHADRM CCc1onc(C)c1/C=C/c1cc(C(=O)[O-])c2cnn(C(C)C)c2n1 ZINC000899370859 1040407680 /nfs/dbraw/zinc/40/76/80/1040407680.db2.gz LHSDTHRHPPGFQM-VOTSOKGWSA-N -1 0 340.383 3.740 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N[C@@H]3CC[C@H](CC(=O)[O-])C3)[nH]c2c1 ZINC000908366519 1040414023 /nfs/dbraw/zinc/41/40/23/1040414023.db2.gz NOSZXCCRUKLPON-SWLSCSKDSA-N -1 0 328.412 3.665 20 0 EHADRM CCC[C@](C)(CC)C(=O)Nc1ccc(-n2[n-]c(C3CC3)cc2=O)nc1 ZINC000912867674 1040422506 /nfs/dbraw/zinc/42/25/06/1040422506.db2.gz XPOSZPDZRKVNES-IBGZPJMESA-N -1 0 342.443 3.739 20 0 EHADRM CCCC[C@H](CC)C(=O)Nc1ccc(-n2[n-]c(C3CC3)cc2=O)nc1 ZINC000912867779 1040422772 /nfs/dbraw/zinc/42/27/72/1040422772.db2.gz JTPXVMXNHAIRPC-ZDUSSCGKSA-N -1 0 342.443 3.739 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)[C@@H]1CC=CCC1)c1ccc(C(F)(F)F)cc1 ZINC000908408098 1040436516 /nfs/dbraw/zinc/43/65/16/1040436516.db2.gz PDLSPQZLKPKAQU-TZMCWYRMSA-N -1 0 341.329 3.694 20 0 EHADRM CN(C(=O)N=c1[n-]nc(SCc2ccccc2)s1)[C@H]1CC1(C)C ZINC000486792124 1040449476 /nfs/dbraw/zinc/44/94/76/1040449476.db2.gz SEIOKWGHRHOYQO-LBPRGKRZSA-N -1 0 348.497 3.515 20 0 EHADRM Cc1cc(Nc2cnc(Cl)c(Br)n2)ccc1C(=O)[O-] ZINC001211655037 1040523854 /nfs/dbraw/zinc/52/38/54/1040523854.db2.gz LCAJKMUZLBLEQA-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM CSc1nc(=NC(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)s[n-]1 ZINC000486916501 1040545208 /nfs/dbraw/zinc/54/52/08/1040545208.db2.gz UIIPGHAVKNWOBM-CHWSQXEVSA-N -1 0 348.497 3.530 20 0 EHADRM CCC[C@]1(C(=O)[O-])CCCN1C(=O)Nc1cccc(OC(F)F)c1 ZINC000908622807 1040550972 /nfs/dbraw/zinc/55/09/72/1040550972.db2.gz ZCVFJWIOTOMMAH-MRXNPFEDSA-N -1 0 342.342 3.539 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C[C@H]2CCC3(CCC3)CO2)cc1Cl ZINC000908684277 1040572849 /nfs/dbraw/zinc/57/28/49/1040572849.db2.gz SAKOKVCUJLONRQ-GFCCVEGCSA-N -1 0 337.803 3.716 20 0 EHADRM O=C([O-])CC1CCN(C(=O)C2(Cc3cccs3)CCCCC2)CC1 ZINC000908675509 1040583741 /nfs/dbraw/zinc/58/37/41/1040583741.db2.gz RQARWRVYSJVRRT-UHFFFAOYSA-N -1 0 349.496 3.954 20 0 EHADRM CCOc1ccc([C@@H](C)NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1 ZINC000908737506 1040619218 /nfs/dbraw/zinc/61/92/18/1040619218.db2.gz LLUPPKPACWRJJY-WPUWVODUSA-N -1 0 345.439 3.688 20 0 EHADRM CCN(C(=O)c1oc(C(=O)[O-])cc1C)[C@H](C)c1cccc(OC)c1 ZINC000908738195 1040620214 /nfs/dbraw/zinc/62/02/14/1040620214.db2.gz KHXKAHHXCWWTAR-GFCCVEGCSA-N -1 0 331.368 3.518 20 0 EHADRM CCC(CC)[C@@H](NC(=O)CCSCC(=O)[O-])c1cccs1 ZINC000908752964 1040633645 /nfs/dbraw/zinc/63/36/45/1040633645.db2.gz ZTAUTVWDOKDGKW-OAHLLOKOSA-N -1 0 329.487 3.550 20 0 EHADRM O=C([O-])C12CCC(C(=O)NCCc3cccc4ccccc43)(CC1)C2 ZINC000908789426 1040651182 /nfs/dbraw/zinc/65/11/82/1040651182.db2.gz UWEROVHMSVVVFF-UHFFFAOYSA-N -1 0 337.419 3.534 20 0 EHADRM O=C(c1cc(Br)c(F)cc1[O-])N1CC=CC12CCCC2 ZINC000913206505 1040654297 /nfs/dbraw/zinc/65/42/97/1040654297.db2.gz HBJSPNKXSRUAFU-UHFFFAOYSA-N -1 0 340.192 3.619 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CC[C@H](CC(C)C)C2)n1 ZINC000468749710 1040671381 /nfs/dbraw/zinc/67/13/81/1040671381.db2.gz PLAIDOUPVDCIKL-CQSZACIVSA-N -1 0 345.418 3.534 20 0 EHADRM C[C@@H](Nc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1)c1cscn1 ZINC000687631133 1040689584 /nfs/dbraw/zinc/68/95/84/1040689584.db2.gz OROLWTDBLOPHEE-MRVPVSSYSA-N -1 0 347.337 3.634 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]C(=O)CCc1c[nH]c2ccccc12 ZINC000042241955 1040712241 /nfs/dbraw/zinc/71/22/41/1040712241.db2.gz RULUSPALKDTTED-UHFFFAOYSA-N -1 0 342.420 3.754 20 0 EHADRM CSc1cc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)c(C)o1 ZINC000908945167 1040718951 /nfs/dbraw/zinc/71/89/51/1040718951.db2.gz UTNHOKYSZLIPEU-AWEZNQCLSA-N -1 0 333.409 3.646 20 0 EHADRM CC(C)CC(=O)N[N-]C(=O)c1csc(-c2ccc(C(C)C)cc2)n1 ZINC000029568063 1040719186 /nfs/dbraw/zinc/71/91/86/1040719186.db2.gz JNKMCVZEDCAUOA-UHFFFAOYSA-N -1 0 345.468 3.741 20 0 EHADRM Cc1cc(C(=O)N=c2nc(Sc3ccccc3)[n-]s2)ccc1F ZINC000600181949 1040790023 /nfs/dbraw/zinc/79/00/23/1040790023.db2.gz KDNONXGCWXXHES-UHFFFAOYSA-N -1 0 345.424 3.811 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)CC(C)(C)CC(F)(F)F)c1ccccc1 ZINC000909067781 1040790314 /nfs/dbraw/zinc/79/03/14/1040790314.db2.gz SNGBTIHLAOHMLI-SMDDNHRTSA-N -1 0 345.361 3.933 20 0 EHADRM CCc1c(C(=O)Nc2cccc(C(=O)[O-])c2)cnn1C1CCCC1 ZINC000909084777 1040791684 /nfs/dbraw/zinc/79/16/84/1040791684.db2.gz WMJXNCVEKFBDAV-UHFFFAOYSA-N -1 0 327.384 3.511 20 0 EHADRM CC(C)Oc1cccc(F)c1[N-]c1nnc(Br)s1 ZINC001211773150 1040809880 /nfs/dbraw/zinc/80/98/80/1040809880.db2.gz OGFNATFNYJTQJC-UHFFFAOYSA-N -1 0 332.198 3.971 20 0 EHADRM CC(C)(C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)C1CCOCC1 ZINC000909118856 1040814088 /nfs/dbraw/zinc/81/40/88/1040814088.db2.gz GEJKAEGFIQPHOB-UHFFFAOYSA-N -1 0 347.436 3.991 20 0 EHADRM CCSCc1ccccc1C(=O)N=c1nc(C2(C)CC2)[n-]s1 ZINC000600228303 1040882124 /nfs/dbraw/zinc/88/21/24/1040882124.db2.gz USZJREUBVKYXOA-UHFFFAOYSA-N -1 0 333.482 3.517 20 0 EHADRM O=C([O-])C(F)(F)c1cccc(-c2ccccc2OC[C@H]2CCOC2)c1 ZINC000899634840 1040886194 /nfs/dbraw/zinc/88/61/94/1040886194.db2.gz XUDAYFJCHSKTQA-ZDUSSCGKSA-N -1 0 348.345 3.945 20 0 EHADRM Cc1nn(C(C)C)c(C)c1CC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000909271472 1040894064 /nfs/dbraw/zinc/89/40/64/1040894064.db2.gz GVRSXSXRJJHQLF-UHFFFAOYSA-N -1 0 349.818 3.614 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)c2ccccc2COC(C)(C)C)C1 ZINC000909699380 1040942848 /nfs/dbraw/zinc/94/28/48/1040942848.db2.gz GYLUNLAJDQCQKH-HXUWFJFHSA-N -1 0 347.455 3.575 20 0 EHADRM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)c2csc(C(=O)[O-])n2)cc1 ZINC000909727817 1040968490 /nfs/dbraw/zinc/96/84/90/1040968490.db2.gz GKMJTDMFZIPRRY-UKRRQHHQSA-N -1 0 344.436 3.558 20 0 EHADRM Cc1ccc(CNC(=O)N(CC(=O)[O-])[C@@H](C)c2ccccc2)c(C)c1 ZINC000570904592 1040975049 /nfs/dbraw/zinc/97/50/49/1040975049.db2.gz VGNIRPIHXDITQD-INIZCTEOSA-N -1 0 340.423 3.661 20 0 EHADRM Cc1nc(N2CCC(Cc3ccccc3C(=O)[O-])CC2)sc1C ZINC000569852626 1041012973 /nfs/dbraw/zinc/01/29/73/1041012973.db2.gz UOHQJSOLNQRQSJ-UHFFFAOYSA-N -1 0 330.453 3.917 20 0 EHADRM CCC1(CC)CN(C(=O)c2ccc(C(=O)OC)[nH]2)c2ccccc21 ZINC000487676648 1041029461 /nfs/dbraw/zinc/02/94/61/1041029461.db2.gz WCURODJCFMPSFY-UHFFFAOYSA-N -1 0 326.396 3.520 20 0 EHADRM COc1cccc2c1[C@H](C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1)CC2 ZINC000909834700 1041031272 /nfs/dbraw/zinc/03/12/72/1041031272.db2.gz NIAPVABBXNBIMH-MLGOLLRUSA-N -1 0 339.391 3.552 20 0 EHADRM C[C@H]1CCCC[C@@H]1NC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000555723883 1041045844 /nfs/dbraw/zinc/04/58/44/1041045844.db2.gz ZHDHEAWGIRONDT-WFASDCNBSA-N -1 0 338.835 3.515 20 0 EHADRM Cc1ccnc(-c2cccc(NC(=O)[C@@H](CC(=O)[O-])CC(C)C)c2)n1 ZINC000899769903 1041083993 /nfs/dbraw/zinc/08/39/93/1041083993.db2.gz IQUXESMAJFGILS-OAHLLOKOSA-N -1 0 341.411 3.528 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)C[C@H](C(=O)[O-])c2ccc(C)cc2)s1 ZINC000899765429 1041095116 /nfs/dbraw/zinc/09/51/16/1041095116.db2.gz PTONYZWBBVEQMA-HIFRSBDPSA-N -1 0 331.437 3.801 20 0 EHADRM CCOc1cc(F)ccc1NC(=O)C[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000899766106 1041095878 /nfs/dbraw/zinc/09/58/78/1041095878.db2.gz SXQRPSPIPVTYIN-OAHLLOKOSA-N -1 0 345.370 3.730 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)NCc1ccc(C(C)(F)F)cc1 ZINC000899786228 1041121633 /nfs/dbraw/zinc/12/16/33/1041121633.db2.gz QJVVMXYVDHQGLJ-CYBMUJFWSA-N -1 0 327.371 3.552 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000899796693 1041148143 /nfs/dbraw/zinc/14/81/43/1041148143.db2.gz OPMZKQHPAYCVMF-SMDDNHRTSA-N -1 0 339.432 3.616 20 0 EHADRM Cc1ccc([C@H](CC(=O)N(C)[C@@H](C)c2ccccc2F)C(=O)[O-])cc1 ZINC000899814631 1041162231 /nfs/dbraw/zinc/16/22/31/1041162231.db2.gz RPZLHYNUXNZTCP-YOEHRIQHSA-N -1 0 343.398 3.912 20 0 EHADRM Cc1cc(F)ccc1[C@@H](C)NC(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC000899833305 1041178589 /nfs/dbraw/zinc/17/85/89/1041178589.db2.gz BFLDCBPDPNPPCL-DYVFJYSZSA-N -1 0 329.371 3.570 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])cs1 ZINC000910100999 1041190212 /nfs/dbraw/zinc/19/02/12/1041190212.db2.gz GDJCGLXLGJTXIG-DYEKYZERSA-N -1 0 336.457 3.721 20 0 EHADRM CCN(Cc1occc1C)C(=O)C[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC000899831097 1041190730 /nfs/dbraw/zinc/19/07/30/1041190730.db2.gz OXSYTXXJBILWQY-INIZCTEOSA-N -1 0 329.396 3.503 20 0 EHADRM Cc1ccc([C@H](CC(=O)NCc2ccc([C@H]3C[C@@H]3C)o2)C(=O)[O-])cc1 ZINC000899831558 1041192503 /nfs/dbraw/zinc/19/25/03/1041192503.db2.gz UKGPXZFASBSMGV-JQFCIGGWSA-N -1 0 341.407 3.586 20 0 EHADRM CC[C@@H](C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])cs1)c1ccccc1 ZINC000910113712 1041196186 /nfs/dbraw/zinc/19/61/86/1041196186.db2.gz OYQSAKFGQJSVGQ-UKRRQHHQSA-N -1 0 344.436 3.699 20 0 EHADRM CCC[C@]1(C(=O)[O-])CCCN1C(=O)c1nc(-c2ccccc2)oc1C ZINC000910117303 1041201996 /nfs/dbraw/zinc/20/19/96/1041201996.db2.gz DZSAGQQEQLBPGN-LJQANCHMSA-N -1 0 342.395 3.510 20 0 EHADRM CC1(C)C[C@@H](CNC(=O)CC2(CC(=O)[O-])CCCCC2)C(C)(C)O1 ZINC000899847522 1041207809 /nfs/dbraw/zinc/20/78/09/1041207809.db2.gz OOZKWFNLXCBHSU-AWEZNQCLSA-N -1 0 339.476 3.512 20 0 EHADRM O=C([O-])C1=CC[C@H](NC(=O)C2(Cc3cccs3)CCCCC2)C1 ZINC000910202841 1041222559 /nfs/dbraw/zinc/22/25/59/1041222559.db2.gz ZAOMUCVVMYHXBO-AWEZNQCLSA-N -1 0 333.453 3.531 20 0 EHADRM COc1cc([C@H](C)NC(=O)C[C@@H](C)CC(=O)[O-])cc2ccccc21 ZINC000899855995 1041237334 /nfs/dbraw/zinc/23/73/34/1041237334.db2.gz LWQWTHCIMNMEOU-OLZOCXBDSA-N -1 0 329.396 3.527 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000910194746 1041237583 /nfs/dbraw/zinc/23/75/83/1041237583.db2.gz OGYYRKPZAWVNKD-GFCCVEGCSA-N -1 0 349.333 3.584 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)Nc1cccc(-c2ccccc2OC)c1 ZINC000555848136 1041238136 /nfs/dbraw/zinc/23/81/36/1041238136.db2.gz UMCWQAYOGKNMIP-UHFFFAOYSA-N -1 0 342.395 3.691 20 0 EHADRM CCc1nc(CC(=O)Nc2cc3ccccc3cc2C(=O)[O-])cs1 ZINC000237033361 1041284401 /nfs/dbraw/zinc/28/44/01/1041284401.db2.gz HUUNWDZCPJMZIQ-UHFFFAOYSA-N -1 0 340.404 3.738 20 0 EHADRM Cc1cc(-c2ccc(F)c(C(=O)[O-])c2)cc(C)c1N1CCCC1=O ZINC000571419344 1041292157 /nfs/dbraw/zinc/29/21/57/1041292157.db2.gz WHMSRRHDRGIOLW-UHFFFAOYSA-N -1 0 327.355 3.935 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2ccc3c4c(cccc42)CC3)cc1 ZINC000431996520 1041455573 /nfs/dbraw/zinc/45/55/73/1041455573.db2.gz XIVYXCDCZJHKHR-UHFFFAOYSA-N -1 0 347.370 3.654 20 0 EHADRM CCN(C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])c1ccccc1 ZINC000193788398 1041588990 /nfs/dbraw/zinc/58/89/90/1041588990.db2.gz YUJQBYYHIQVUGW-UHFFFAOYSA-N -1 0 341.798 3.898 20 0 EHADRM C[C@@H](N=c1[n-]nc(C2CC2)s1)c1nc2ccccc2n1C(F)F ZINC000432121235 1041616399 /nfs/dbraw/zinc/61/63/99/1041616399.db2.gz VDMVVAVCTNHSRH-MRVPVSSYSA-N -1 0 335.383 3.755 20 0 EHADRM O=C([O-])C1(CC(=O)N2CCCC[C@@H]2CCc2ccccc2)CCC1 ZINC000432125126 1041623426 /nfs/dbraw/zinc/62/34/26/1041623426.db2.gz FFRZFYXZUHBAFN-QGZVFWFLSA-N -1 0 329.440 3.645 20 0 EHADRM CCCCOc1cccc(NC(=O)N2CCC(C)(C(=O)[O-])CC2)c1 ZINC000647694664 1041712724 /nfs/dbraw/zinc/71/27/24/1041712724.db2.gz JRHOGPRNAYTZEK-UHFFFAOYSA-N -1 0 334.416 3.584 20 0 EHADRM COC(=O)[C@@H]1CCc2cc(Nc3ccc(C(=O)[O-])c(C)c3)ccc21 ZINC001211663301 1041852536 /nfs/dbraw/zinc/85/25/36/1041852536.db2.gz CLCYGRASXLYGFE-QGZVFWFLSA-N -1 0 325.364 3.640 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1ccc2oc(=S)[n-]c2c1)C(F)(F)F ZINC000828948755 1041866172 /nfs/dbraw/zinc/86/61/72/1041866172.db2.gz KCNJHBRODHIKCC-NSHDSACASA-N -1 0 332.347 3.823 20 0 EHADRM Cc1cc(Nc2c(N)ccc(Br)c2F)ccc1C(=O)[O-] ZINC001211663655 1041885888 /nfs/dbraw/zinc/88/58/88/1041885888.db2.gz UXHNMBYOPBVJCJ-UHFFFAOYSA-N -1 0 339.164 3.921 20 0 EHADRM O=C([O-])CCC(=O)Nc1ccc(Nc2ccc(Cl)cc2O)cc1 ZINC001213190228 1042168940 /nfs/dbraw/zinc/16/89/40/1042168940.db2.gz VMEKMYLNTNJZHC-UHFFFAOYSA-N -1 0 334.759 3.593 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1c1nnc(-c2ccccc2Cl)s1 ZINC000662893817 1042205479 /nfs/dbraw/zinc/20/54/79/1042205479.db2.gz PAGQFODUBHLXJP-VHSXEESVSA-N -1 0 337.832 3.548 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1cscc1C(F)F ZINC000909374085 1042284470 /nfs/dbraw/zinc/28/44/70/1042284470.db2.gz CTWAOIXZZIXODA-CYBMUJFWSA-N -1 0 339.363 3.940 20 0 EHADRM C[C@@H](NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c1ccc(-c2cccnc2)cc1 ZINC000663038721 1042376341 /nfs/dbraw/zinc/37/63/41/1042376341.db2.gz JGXBXUNVIQSVQH-DYVFJYSZSA-N -1 0 340.423 3.673 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000653328041 1042379982 /nfs/dbraw/zinc/37/99/82/1042379982.db2.gz CPIIPUYMIMZNHK-GDIGMMSISA-N -1 0 337.419 3.603 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc2cc(Cl)ccc2s1 ZINC000663058245 1042407110 /nfs/dbraw/zinc/40/71/10/1042407110.db2.gz XCVMRVSBHSJQDT-NXEZZACHSA-N -1 0 337.828 3.880 20 0 EHADRM Cc1ccccc1-c1csc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)n1 ZINC000663081859 1042430203 /nfs/dbraw/zinc/43/02/03/1042430203.db2.gz OOKGMVOAMQNSJS-ZDUSSCGKSA-N -1 0 332.425 3.804 20 0 EHADRM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC000663109418 1042460975 /nfs/dbraw/zinc/46/09/75/1042460975.db2.gz ZRZQQFDBXXKDPE-VLIAUNLRSA-N -1 0 344.455 3.813 20 0 EHADRM O=C([O-])c1cccnc1C[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000652410052 1042461289 /nfs/dbraw/zinc/46/12/89/1042461289.db2.gz XEKOQGTYYSJITO-IBGZPJMESA-N -1 0 335.407 3.988 20 0 EHADRM Cc1ccccc1[C@H](C(=O)[O-])N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000652434883 1042474841 /nfs/dbraw/zinc/47/48/41/1042474841.db2.gz GXWGRSXOWZTYHQ-KBXCAEBGSA-N -1 0 345.826 3.927 20 0 EHADRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)C[C@@H](CC)c1ccc(C)cc1 ZINC000739184306 1042489983 /nfs/dbraw/zinc/48/99/83/1042489983.db2.gz RVNIXTBWLKAGLM-JKSUJKDBSA-N -1 0 339.501 3.761 20 0 EHADRM COc1cc(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)ccc1Cl ZINC000652470221 1042493140 /nfs/dbraw/zinc/49/31/40/1042493140.db2.gz QXAPTJWWHALKFM-OAHLLOKOSA-N -1 0 331.799 3.533 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663145990 1042493504 /nfs/dbraw/zinc/49/35/04/1042493504.db2.gz CABKDRNXVVNZPH-ZDUSSCGKSA-N -1 0 335.787 3.625 20 0 EHADRM Cc1c(C(=O)NC[C@H](C(=O)[O-])C2CCC2)oc2c1c(C)ccc2C ZINC000663150585 1042493986 /nfs/dbraw/zinc/49/39/86/1042493986.db2.gz LAWIPVGHVVUZHU-AWEZNQCLSA-N -1 0 329.396 3.589 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1csc(-c2ccncc2)n1 ZINC000188195056 1042534532 /nfs/dbraw/zinc/53/45/32/1042534532.db2.gz ALMBOFUMGWZBSF-UHFFFAOYSA-N -1 0 345.449 3.568 20 0 EHADRM CC(C)(CNC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)CC(F)(F)F ZINC000663230766 1042575177 /nfs/dbraw/zinc/57/51/77/1042575177.db2.gz GFWBJFVIQFQXIM-MRXNPFEDSA-N -1 0 345.361 3.514 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)NCc1cccc(Cl)c1Cl)C1CC1 ZINC000663271827 1042616534 /nfs/dbraw/zinc/61/65/34/1042616534.db2.gz QQWJOFGCHBLXES-GFCCVEGCSA-N -1 0 345.226 3.531 20 0 EHADRM Cc1ccc(NC(=O)Cc2noc(-c3ccc(Cl)cc3[O-])n2)cc1 ZINC000184827467 1042620307 /nfs/dbraw/zinc/62/03/07/1042620307.db2.gz XMIZFUUPRVXMHC-UHFFFAOYSA-N -1 0 343.770 3.585 20 0 EHADRM O=C(NCCOc1ccc2ccccc2c1)c1cc(F)c([O-])c(F)c1 ZINC000186432645 1042660568 /nfs/dbraw/zinc/66/05/68/1042660568.db2.gz LKHANEDQYKNRAB-UHFFFAOYSA-N -1 0 343.329 3.632 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)C2CCC(C3CC3)CC2)[C@@H]2CCCC[C@H]12 ZINC000659193646 1042685516 /nfs/dbraw/zinc/68/55/16/1042685516.db2.gz QDRAMZRMRIMVEG-NHHFINERSA-N -1 0 333.472 3.695 20 0 EHADRM Cc1ccc2cc(Cl)cc(C(=O)N3CCC[C@H](CC(=O)[O-])C3)c2n1 ZINC000647728064 1042693445 /nfs/dbraw/zinc/69/34/45/1042693445.db2.gz VQDRYSACUYGHHC-GFCCVEGCSA-N -1 0 346.814 3.524 20 0 EHADRM CCSc1cccc(F)c1NC(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663356021 1042746027 /nfs/dbraw/zinc/74/60/27/1042746027.db2.gz CSPYREROVFTSJL-NSHDSACASA-N -1 0 340.420 3.560 20 0 EHADRM Cc1cc(=O)[nH]c([C@H](C)N(C)Cc2ccc(Br)s2)n1 ZINC000177914321 1042823599 /nfs/dbraw/zinc/82/35/99/1042823599.db2.gz OAQVKUAMAWUEQB-VIFPVBQESA-N -1 0 342.262 3.508 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(C)C2CCCCCC2)n1 ZINC000432325980 1042906077 /nfs/dbraw/zinc/90/60/77/1042906077.db2.gz NWOWCGFBJAAURI-UHFFFAOYSA-N -1 0 345.418 3.820 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)c(F)c1 ZINC000303333934 1042926549 /nfs/dbraw/zinc/92/65/49/1042926549.db2.gz XLXREXYQZHWLGA-UHFFFAOYSA-N -1 0 349.305 3.834 20 0 EHADRM CC(C)(CN=c1[n-]nc(C(F)F)o1)c1ccc(Br)cc1 ZINC000432330027 1042933061 /nfs/dbraw/zinc/93/30/61/1042933061.db2.gz WUQHYBKUZBUHLV-UHFFFAOYSA-N -1 0 346.175 3.581 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)CCc2cc(Cl)cs2)c2ccccc21 ZINC000653331536 1042965412 /nfs/dbraw/zinc/96/54/12/1042965412.db2.gz SPFDCMJWHPUDPS-HUUCEWRRSA-N -1 0 349.839 3.764 20 0 EHADRM FC(F)(F)c1ccccc1[C@H]1C[C@@H]1N=c1[n-]nc(C2CC2)s1 ZINC000432350310 1042986564 /nfs/dbraw/zinc/98/65/64/1042986564.db2.gz YGZWFBWLQZTRIG-PWSUYJOCSA-N -1 0 325.359 3.824 20 0 EHADRM CCc1c([N-]S(=O)(=O)c2sc(C)cc2C)cnn1CC(C)C ZINC000644851143 1042988653 /nfs/dbraw/zinc/98/86/53/1042988653.db2.gz JACQOCQCEWPWSM-UHFFFAOYSA-N -1 0 341.502 3.581 20 0 EHADRM CC(=O)Nc1ccc(/C=C(\CC(=O)[O-])c2nc3ccccc3o2)cc1 ZINC000005110228 1042995260 /nfs/dbraw/zinc/99/52/60/1042995260.db2.gz FBQKDKYWQYWSSM-GXDHUFHOSA-N -1 0 336.347 3.802 20 0 EHADRM CN(C(=O)N=c1nc(-c2ccsc2)[n-]s1)[C@@H]1CCC(C)(C)C1 ZINC000432413207 1043121004 /nfs/dbraw/zinc/12/10/04/1043121004.db2.gz LHZXAJZPDAXFHT-LLVKDONJSA-N -1 0 336.486 3.731 20 0 EHADRM O=C(NCc1ncccc1O)Nc1cccc(CCC(F)(F)F)c1 ZINC000344038493 1043149177 /nfs/dbraw/zinc/14/91/77/1043149177.db2.gz UXQILRGZQVRBLR-UHFFFAOYSA-N -1 0 339.317 3.604 20 0 EHADRM CC[C@H](N=c1nc([C@@H](C)OC)[n-]s1)c1ccccc1OC(F)F ZINC000509734627 1043728812 /nfs/dbraw/zinc/72/88/12/1043728812.db2.gz YFZRQGQOPYJJIQ-KOLCDFICSA-N -1 0 343.399 3.832 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000262155430 1043765929 /nfs/dbraw/zinc/76/59/29/1043765929.db2.gz UNAUBFGVWCJPGM-GHMZBOCLSA-N -1 0 341.810 3.732 20 0 EHADRM CC[C@@H](C(=O)N(C)[C@H](CC)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000653336907 1043845576 /nfs/dbraw/zinc/84/55/76/1043845576.db2.gz OURFASRQCPJWCH-CHWSQXEVSA-N -1 0 331.334 3.521 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000324285601 1044261234 /nfs/dbraw/zinc/26/12/34/1044261234.db2.gz QINWBOSNOPSFIM-GFCCVEGCSA-N -1 0 333.359 3.740 20 0 EHADRM C[C@@H]1CCCC[C@@H]1C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000644873165 1044403206 /nfs/dbraw/zinc/40/32/06/1044403206.db2.gz CIOOORCZEHZBGE-OCCSQVGLSA-N -1 0 340.423 3.577 20 0 EHADRM CCCc1ccc(CCCC(=O)N2CCC(C)(C(=O)[O-])CC2)cc1 ZINC000647763013 1044461734 /nfs/dbraw/zinc/46/17/34/1044461734.db2.gz GFJOJRWOKSQTOU-UHFFFAOYSA-N -1 0 331.456 3.675 20 0 EHADRM CC[C@@H](C)[C@H](C(=O)NCc1nc(C)c(C(=O)[O-])s1)c1ccccc1 ZINC000324631542 1044489404 /nfs/dbraw/zinc/48/94/04/1044489404.db2.gz GBVXYAMCCXLZRK-ABAIWWIYSA-N -1 0 346.452 3.596 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)C1(C)C ZINC000236741497 1044766946 /nfs/dbraw/zinc/76/69/46/1044766946.db2.gz DXADLBTXGPPVDJ-VYDXJSESSA-N -1 0 333.403 3.696 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc(C(F)(F)F)c1 ZINC000261634226 1044864902 /nfs/dbraw/zinc/86/49/02/1044864902.db2.gz DHYXDMJTFSAMDV-SWHYSGLUSA-N -1 0 341.329 3.563 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])C(=O)Nc1c(F)ccc(C)c1Br ZINC000634834235 1125727707 /nfs/dbraw/zinc/72/77/07/1125727707.db2.gz XZPWYFLAQQNAHU-AWEZNQCLSA-N -1 0 346.196 3.726 20 0 EHADRM CCc1ncc(CN[C@@](CC)(C(=O)[O-])c2ccc(Cl)cc2)s1 ZINC000901871589 1126130620 /nfs/dbraw/zinc/13/06/20/1126130620.db2.gz DYNISLXKZGYVHI-MRXNPFEDSA-N -1 0 338.860 3.839 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CCc2cc(F)ccc21 ZINC000622585934 1126724956 /nfs/dbraw/zinc/72/49/56/1126724956.db2.gz QICHEZMLADJWIH-UHFFFAOYSA-N -1 0 325.261 3.753 20 0 EHADRM CC(C)Oc1ncc(Cl)cc1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000622649490 1126738786 /nfs/dbraw/zinc/73/87/86/1126738786.db2.gz VBUUJUCXQJYBIR-UHFFFAOYSA-N -1 0 342.729 3.758 20 0 EHADRM COc1ccc(CCC(=O)Nc2cccc(Cl)c2[O-])cc1OC ZINC000172110496 1126780915 /nfs/dbraw/zinc/78/09/15/1126780915.db2.gz UYGLQHIHLAOKFP-UHFFFAOYSA-N -1 0 335.787 3.634 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000062842967 1126819357 /nfs/dbraw/zinc/81/93/57/1126819357.db2.gz VYGZHAGTVSOVNY-UHFFFAOYSA-N -1 0 331.199 3.712 20 0 EHADRM C[C@@H](C(=O)N=c1ccc(-c2ccc(Cl)s2)n[n-]1)C(C)(F)F ZINC000622929255 1126830756 /nfs/dbraw/zinc/83/07/56/1126830756.db2.gz JFAGUKMBPXZNSY-ZETCQYMHSA-N -1 0 331.775 3.510 20 0 EHADRM CC(C)C[C@H](NC(=O)/C=C/c1ccc2ccc(Cl)cc2n1)C(=O)[O-] ZINC000185317089 1126866559 /nfs/dbraw/zinc/86/65/59/1126866559.db2.gz KVOPHMQVACCZMY-WAVCKPEOSA-N -1 0 346.814 3.517 20 0 EHADRM C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000623207632 1126895911 /nfs/dbraw/zinc/89/59/11/1126895911.db2.gz YQAQUOCXHUINBQ-XVKPBYJWSA-N -1 0 340.210 3.727 20 0 EHADRM O=S(=O)([N-]c1ccc2ncsc2c1)c1cccc2cccnc21 ZINC000192726592 1126936378 /nfs/dbraw/zinc/93/63/78/1126936378.db2.gz AHWCKTIAECCQSG-UHFFFAOYSA-N -1 0 341.417 3.645 20 0 EHADRM Cc1nc(C=Cc2cccc3ccccc23)[nH]c(=O)c1CCC(=O)[O-] ZINC000347425078 1126986898 /nfs/dbraw/zinc/98/68/98/1126986898.db2.gz WZQSDGKFDOSGBM-LUAWRHEFSA-N -1 0 334.375 3.831 20 0 EHADRM O=C(c1[n-]cnc1-c1nc([C@H]2CCC(F)(F)C2)no1)c1ccccc1 ZINC000350337087 1127072566 /nfs/dbraw/zinc/07/25/66/1127072566.db2.gz ZRHZQOVUVSZZCJ-NSHDSACASA-N -1 0 344.321 3.594 20 0 EHADRM C[C@H](C(=O)[N-]OCc1ccc(F)cc1)c1cn(C)c2ccccc12 ZINC000185923621 1127201499 /nfs/dbraw/zinc/20/14/99/1127201499.db2.gz XHCKBOQLKZIVKY-ZDUSSCGKSA-N -1 0 326.371 3.669 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(Cl)s2)cccc1N(C)C ZINC000181154686 1127267722 /nfs/dbraw/zinc/26/77/22/1127267722.db2.gz XDMDKSSVOIMTKU-UHFFFAOYSA-N -1 0 330.862 3.577 20 0 EHADRM Cc1ccc(C[C@@H](C)N(C)C(=O)c2cc(F)c(F)c([O-])c2F)cc1 ZINC000182790468 1127347581 /nfs/dbraw/zinc/34/75/81/1127347581.db2.gz LSHFPJKXUUHEQM-LLVKDONJSA-N -1 0 337.341 3.821 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(OC3CCC3)c(F)c2)c(C)o1 ZINC000182812375 1127348842 /nfs/dbraw/zinc/34/88/42/1127348842.db2.gz GRVDOUFEXHXMCW-UHFFFAOYSA-N -1 0 339.388 3.768 20 0 EHADRM C[C@H](CNC(=O)c1cc(F)c(F)c([O-])c1F)c1ccc(F)cc1F ZINC000182907938 1127353512 /nfs/dbraw/zinc/35/35/12/1127353512.db2.gz BJTPCYMCVZNJQZ-SSDOTTSWSA-N -1 0 345.267 3.621 20 0 EHADRM Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000183348214 1127373581 /nfs/dbraw/zinc/37/35/81/1127373581.db2.gz KRCJEJLCEGFYCD-UHFFFAOYSA-N -1 0 328.393 3.759 20 0 EHADRM CC[C@@H](C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1)c1ccc(F)cc1 ZINC000764785310 1127535995 /nfs/dbraw/zinc/53/59/95/1127535995.db2.gz ZITCDQUDWBABBA-CXAGYDPISA-N -1 0 349.427 3.527 20 0 EHADRM C[C@@H](CCC(C)(C)C)C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000755724364 1127574529 /nfs/dbraw/zinc/57/45/29/1127574529.db2.gz RAFCEMJMHFSXAR-LBPRGKRZSA-N -1 0 345.892 3.748 20 0 EHADRM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc3ccsc32)c1 ZINC000386300255 1127658455 /nfs/dbraw/zinc/65/84/55/1127658455.db2.gz KEFVVGGWHWXHGG-UHFFFAOYSA-N -1 0 331.418 3.905 20 0 EHADRM O=C(Nc1cccc(OC(F)(F)F)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000043506552 1127921610 /nfs/dbraw/zinc/92/16/10/1127921610.db2.gz BGJOECGKBVNUSV-UHFFFAOYSA-N -1 0 348.280 3.679 20 0 EHADRM CC(C)CCc1n[n-]c(=NCc2cscc2Br)o1 ZINC000351606966 1127964967 /nfs/dbraw/zinc/96/49/67/1127964967.db2.gz HZYHVHYWCCWTKV-UHFFFAOYSA-N -1 0 330.251 3.516 20 0 EHADRM Brc1cscc1CN=c1[n-]nc(CC2CCCC2)o1 ZINC000351624571 1127964974 /nfs/dbraw/zinc/96/49/74/1127964974.db2.gz OJKHCHXOURFPOW-UHFFFAOYSA-N -1 0 342.262 3.660 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1 ZINC000351658201 1127979724 /nfs/dbraw/zinc/97/97/24/1127979724.db2.gz XWMRYPWEZLKNDN-UHFFFAOYSA-N -1 0 348.371 3.623 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)CCc1cc2ccccc2o1 ZINC000347497992 1128013705 /nfs/dbraw/zinc/01/37/05/1128013705.db2.gz NHSZHVSZVCADHO-HNNXBMFYSA-N -1 0 329.396 3.611 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)c1C ZINC000472790980 1128017485 /nfs/dbraw/zinc/01/74/85/1128017485.db2.gz RZCDVTLXCHBPAF-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM COc1ccc(/C=C/c2nc3c(cccc3C(=O)[O-])o2)cc1OC ZINC000068267847 1128262682 /nfs/dbraw/zinc/26/26/82/1128262682.db2.gz NRIVWKGNXMVBRU-VQHVLOKHSA-N -1 0 325.320 3.714 20 0 EHADRM O=C([N-]c1nnc(-c2ccccc2)s1)c1cc(-c2ccco2)on1 ZINC000073350412 1128322094 /nfs/dbraw/zinc/32/20/94/1128322094.db2.gz NLEYPJQPOOVFPX-UHFFFAOYSA-N -1 0 338.348 3.705 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc3[n-]c(=S)oc3c2)c2c(O)cccc21 ZINC000186283326 1128373704 /nfs/dbraw/zinc/37/37/04/1128373704.db2.gz WHFFCSZZMZHRBA-JTQLQIEISA-N -1 0 340.404 3.976 20 0 EHADRM Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000106724353 1128509254 /nfs/dbraw/zinc/50/92/54/1128509254.db2.gz ISNIBJAORFJFBB-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM CCSc1ccc([C@@H](C)NC(=O)NC[C@H](C(=O)[O-])C(C)C)cc1 ZINC000655867188 1128513663 /nfs/dbraw/zinc/51/36/63/1128513663.db2.gz VTWNPMXMXVGKQE-DOMZBBRYSA-N -1 0 338.473 3.516 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1cccc(OCC(C)C)c1 ZINC000055637096 1128525900 /nfs/dbraw/zinc/52/59/00/1128525900.db2.gz AQHDIKIOAYRTSW-UHFFFAOYSA-N -1 0 335.425 3.531 20 0 EHADRM CCC(CC)N(CC(C)C)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655905446 1128532381 /nfs/dbraw/zinc/53/23/81/1128532381.db2.gz VVTKYFIREXYVIU-CWRNSKLLSA-N -1 0 340.508 3.978 20 0 EHADRM CC1(C)Cc2cc(CN=c3[n-]nc(-c4cccs4)o3)ccc2O1 ZINC000542753457 1128577284 /nfs/dbraw/zinc/57/72/84/1128577284.db2.gz VKKOHGCCUFQYAX-UHFFFAOYSA-N -1 0 327.409 3.546 20 0 EHADRM C[C@@H](Nc1nc(-c2ccccc2)ns1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656091657 1128733684 /nfs/dbraw/zinc/73/36/84/1128733684.db2.gz GSQIAFQJFVMIRF-KGYLQXTDSA-N -1 0 331.441 3.752 20 0 EHADRM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc2cccnc21 ZINC000205634280 1128809270 /nfs/dbraw/zinc/80/92/70/1128809270.db2.gz NWLDTMKQJYMYBQ-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM CC(C)c1n[n-]c(=N[C@@H](C)c2ccc(-n3cccn3)c(F)c2)s1 ZINC000338748455 1128836899 /nfs/dbraw/zinc/83/68/99/1128836899.db2.gz JBMRBTBYEULVOR-NSHDSACASA-N -1 0 331.420 3.581 20 0 EHADRM CCCCCOc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000063183786 1128863069 /nfs/dbraw/zinc/86/30/69/1128863069.db2.gz IYDIUGLJHWDKCI-UHFFFAOYSA-N -1 0 326.443 3.513 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-][C@H](C(F)F)C2CCCCC2)c(F)c1 ZINC001670481853 1120077973 /nfs/dbraw/zinc/07/79/73/1120077973.db2.gz HKNAGJFUGFABHS-HNNXBMFYSA-N -1 0 349.418 3.768 20 0 EHADRM CC(C)(C)C(F)(F)CNS(=O)(=O)c1ccc2ccccc2c1F ZINC001670558630 1120086219 /nfs/dbraw/zinc/08/62/19/1120086219.db2.gz VOUDIRPFZUGPGM-UHFFFAOYSA-N -1 0 345.386 3.939 20 0 EHADRM C[C@@H](O)[C@H](NC(=O)c1c([O-])cc(Cl)cc1Cl)c1ccccc1 ZINC001648938699 1120238197 /nfs/dbraw/zinc/23/81/97/1120238197.db2.gz CZSOSUAPSFXKMC-PSLIRLAXSA-N -1 0 340.206 3.551 20 0 EHADRM O=C(Nc1ccc2ccc(Cl)nc2n1)c1ccc(Cl)cc1[O-] ZINC001648939385 1120239654 /nfs/dbraw/zinc/23/96/54/1120239654.db2.gz UGJZQRHCILXDNU-UHFFFAOYSA-N -1 0 334.162 3.895 20 0 EHADRM CC[C@H](NCc1c(Cl)cccc1Cl)c1nc(C(=O)[O-])c[nH]1 ZINC000904066088 1120351958 /nfs/dbraw/zinc/35/19/58/1120351958.db2.gz XFSFYMDOYDXJRB-NSHDSACASA-N -1 0 328.199 3.656 20 0 EHADRM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c1 ZINC000185231734 1120405360 /nfs/dbraw/zinc/40/53/60/1120405360.db2.gz UWNNZMAKXQZFFE-NSHDSACASA-N -1 0 348.399 3.815 20 0 EHADRM CC(C)[C@H](C)N(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O ZINC000494555938 1120593076 /nfs/dbraw/zinc/59/30/76/1120593076.db2.gz SIRFAJCPXHHCGF-LBPRGKRZSA-N -1 0 336.432 3.856 20 0 EHADRM CC(C)(C)C[C@H]([N-]S(=O)(=O)CCc1cccs1)C(F)(F)F ZINC000189802654 1120612243 /nfs/dbraw/zinc/61/22/43/1120612243.db2.gz SVPQTTBUQXLLFB-NSHDSACASA-N -1 0 343.436 3.577 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2cc(C)c(Cl)s2)cc(OC)c1 ZINC000190185786 1120628993 /nfs/dbraw/zinc/62/89/93/1120628993.db2.gz DAGPTFHTWRJDFI-UHFFFAOYSA-N -1 0 347.845 3.528 20 0 EHADRM O=S(=O)([N-]c1cccc(Cl)c1)c1ccccc1OC(F)F ZINC000195438066 1120784209 /nfs/dbraw/zinc/78/42/09/1120784209.db2.gz PZKIQRTWGUTPCO-UHFFFAOYSA-N -1 0 333.743 3.742 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)c3cc(O)c4ccccc4c3)[nH][n-]2)o1 ZINC000356062571 1128941050 /nfs/dbraw/zinc/94/10/50/1128941050.db2.gz UBTYYJRKRYBXHV-UHFFFAOYSA-N -1 0 333.347 3.511 20 0 EHADRM C[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1ccccc1Cl ZINC000193911114 1120807797 /nfs/dbraw/zinc/80/77/97/1120807797.db2.gz KOJVFVLDNUFWIR-ZETCQYMHSA-N -1 0 329.705 3.954 20 0 EHADRM Cc1cc(=NC(=O)N[C@H](c2cccc(F)c2)C(C)(C)C)[n-]nc1C ZINC000467470138 1120873382 /nfs/dbraw/zinc/87/33/82/1120873382.db2.gz ROQPAEPPCJCZQT-MRXNPFEDSA-N -1 0 330.407 3.563 20 0 EHADRM O=C([O-])c1cc(Cl)cnc1N[C@@H](c1ccccn1)C(F)(F)F ZINC001168477122 1120949556 /nfs/dbraw/zinc/94/95/56/1120949556.db2.gz AZMUSBFFWDOSCN-JTQLQIEISA-N -1 0 331.681 3.544 20 0 EHADRM CCCCC[C@@H](NC(=O)c1ccnc(Oc2ccccc2)c1)C(=O)[O-] ZINC000761846705 1120986316 /nfs/dbraw/zinc/98/63/16/1120986316.db2.gz PXWPVRPVAJWANN-MRXNPFEDSA-N -1 0 342.395 3.637 20 0 EHADRM CC(C)[C@@H](CC1CCCC1)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000495204149 1120989041 /nfs/dbraw/zinc/98/90/41/1120989041.db2.gz ADFCEYCFEWBKFB-MGPQQGTHSA-N -1 0 349.393 3.560 20 0 EHADRM O=S(=O)(Nc1cccc(COCC2CC2)c1)c1cccc(F)c1 ZINC000064938368 1128980224 /nfs/dbraw/zinc/98/02/24/1128980224.db2.gz YVFRGKWRTQNCBY-UHFFFAOYSA-N -1 0 335.400 3.553 20 0 EHADRM Cc1ncc(C(=O)NCc2ccc(O)c(Cl)c2)c(Cl)c1Cl ZINC001649015046 1121363149 /nfs/dbraw/zinc/36/31/49/1121363149.db2.gz KQHIJUPEBOJMQR-UHFFFAOYSA-N -1 0 345.613 3.986 20 0 EHADRM CCc1cc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])sc1C ZINC000237123192 1121473912 /nfs/dbraw/zinc/47/39/12/1121473912.db2.gz KDWDLHLTKTYLEP-MEDUHNTESA-N -1 0 331.437 3.811 20 0 EHADRM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000237329266 1121480770 /nfs/dbraw/zinc/48/07/70/1121480770.db2.gz QSQSNOKGCSGIFL-CABCVRRESA-N -1 0 345.782 3.789 20 0 EHADRM C[C@@H]1CCc2c(C(=O)Nc3cc(C(=O)[O-])ccc3F)csc2C1 ZINC000237438567 1121483899 /nfs/dbraw/zinc/48/38/99/1121483899.db2.gz OQOVTLPALRIHOS-SECBINFHSA-N -1 0 333.384 3.963 20 0 EHADRM Cc1ccc(NC(=O)[C@@H](C)CCOc2ccccc2)cc1C(=O)[O-] ZINC000237579103 1121488399 /nfs/dbraw/zinc/48/83/99/1121488399.db2.gz RBGYHYFRVUOBIC-AWEZNQCLSA-N -1 0 327.380 3.737 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)cc1C(=O)[O-] ZINC000237696046 1121491495 /nfs/dbraw/zinc/49/14/95/1121491495.db2.gz YBIGPKCHAKGDKR-LSDHHAIUSA-N -1 0 331.318 3.714 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cn1 ZINC000237971913 1121499548 /nfs/dbraw/zinc/49/95/48/1121499548.db2.gz DURVNOAXNBKSSV-UHFFFAOYSA-N -1 0 346.386 3.622 20 0 EHADRM CC(C)COc1cccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1 ZINC000326642550 1121973037 /nfs/dbraw/zinc/97/30/37/1121973037.db2.gz ACHYJMJURXYFAB-QGTPRVQTSA-N -1 0 345.439 3.579 20 0 EHADRM CC(C)c1ccccc1OCC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000324657970 1122070067 /nfs/dbraw/zinc/07/00/67/1122070067.db2.gz ZJQLNKBWLOHEMZ-UHFFFAOYSA-N -1 0 331.343 3.665 20 0 EHADRM COc1ccc2oc(C)c(C(=O)Nc3ccc(F)c(C(=O)[O-])c3)c2c1 ZINC000916152334 1122082366 /nfs/dbraw/zinc/08/23/66/1122082366.db2.gz ZUILXUNMRLTWQS-UHFFFAOYSA-N -1 0 343.310 3.839 20 0 EHADRM O=C([O-])CCCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000037835273 1122241098 /nfs/dbraw/zinc/24/10/98/1122241098.db2.gz NOKCIMOEDMVWQB-ZDUSSCGKSA-N -1 0 330.211 3.912 20 0 EHADRM CCn1cc(C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)cn1 ZINC000127620701 1122497589 /nfs/dbraw/zinc/49/75/89/1122497589.db2.gz OYTAHQIVCJFWBG-UHFFFAOYSA-N -1 0 334.590 3.821 20 0 EHADRM C[C@H](CC1CC1)NC(=O)N=c1[n-]nc(SCc2ccccc2)s1 ZINC000497484411 1122563135 /nfs/dbraw/zinc/56/31/35/1122563135.db2.gz PTFNKWCJKMJZFD-LLVKDONJSA-N -1 0 348.497 3.562 20 0 EHADRM O=C([O-])c1cccc2oc(/C=C\c3cccc(-n4cccn4)c3)nc21 ZINC000670369722 1122579815 /nfs/dbraw/zinc/57/98/15/1122579815.db2.gz OQSKPKMVRCSZSL-HJWRWDBZSA-N -1 0 331.331 3.882 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2O)c1 ZINC000498033159 1122738537 /nfs/dbraw/zinc/73/85/37/1122738537.db2.gz SIGCVXRUPUKQAH-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM C[C@@H]1CN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC[C@H]1c1ccccc1 ZINC000262708360 1122741905 /nfs/dbraw/zinc/74/19/05/1122741905.db2.gz KNWQPUFTWXDGSB-VDHUWJSZSA-N -1 0 329.440 3.530 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)CC1 ZINC000262713936 1122776816 /nfs/dbraw/zinc/77/68/16/1122776816.db2.gz MQLXCCTUEYISPB-BFYDXBDKSA-N -1 0 333.403 3.674 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N[C@H](c2ccccc2)C2CCCC2)CC1 ZINC000262720145 1122781649 /nfs/dbraw/zinc/78/16/49/1122781649.db2.gz PJDNJGFXEVHPLF-KZNAEPCWSA-N -1 0 329.440 3.925 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)[C@H]2CCCC(C)(C)C2)c1 ZINC000556219348 1122885119 /nfs/dbraw/zinc/88/51/19/1122885119.db2.gz CSDXQOBMKCOJJP-HOCLYGCPSA-N -1 0 333.428 3.544 20 0 EHADRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2c(C)onc2CC)c1 ZINC000556346659 1122938473 /nfs/dbraw/zinc/93/84/73/1122938473.db2.gz HLLYUIBCKVQPLB-UHFFFAOYSA-N -1 0 342.848 3.952 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cnn(C(C)(C)C)c2)cc1 ZINC000065834041 1129096097 /nfs/dbraw/zinc/09/60/97/1129096097.db2.gz UTBOOSMQOSAHKP-ZDUSSCGKSA-N -1 0 335.473 3.952 20 0 EHADRM Cc1cc(F)ccc1[C@H]1CCCN1C(=O)c1s[n-]c(=O)c1Cl ZINC000556689779 1123085189 /nfs/dbraw/zinc/08/51/89/1123085189.db2.gz FIALZGXHTDGBNF-LLVKDONJSA-N -1 0 340.807 3.927 20 0 EHADRM CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)c1 ZINC000131448584 1123108957 /nfs/dbraw/zinc/10/89/57/1123108957.db2.gz DRAJVULEEPUYDL-UHFFFAOYSA-N -1 0 334.228 3.572 20 0 EHADRM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cc3ccccc3o2)c1 ZINC000131779705 1123180169 /nfs/dbraw/zinc/18/01/69/1123180169.db2.gz MSKRZFSPBDOEHB-LBPRGKRZSA-N -1 0 331.393 3.941 20 0 EHADRM Cc1cc(Cl)c([N-]S(=O)(=O)c2cn(C(C)C)cn2)cc1Cl ZINC000132220385 1123211242 /nfs/dbraw/zinc/21/12/42/1123211242.db2.gz KTARZIQVYUNNSO-UHFFFAOYSA-N -1 0 348.255 3.880 20 0 EHADRM Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)c(C)n1C1CCCCC1 ZINC000262991493 1123260492 /nfs/dbraw/zinc/26/04/92/1123260492.db2.gz ODWHGFOVZPYMEO-DYVFJYSZSA-N -1 0 346.471 3.793 20 0 EHADRM COc1ccc(CCCN(C)C(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000133083657 1123338587 /nfs/dbraw/zinc/33/85/87/1123338587.db2.gz SZUZCZOUQCDJFV-UHFFFAOYSA-N -1 0 333.815 3.759 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCC4(CCC4)C3)n2)c1 ZINC000163270442 1123363214 /nfs/dbraw/zinc/36/32/14/1123363214.db2.gz HPQLQYJGQGKCKV-UHFFFAOYSA-N -1 0 339.439 3.718 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@H]1CCCC[C@H]1C1CC1 ZINC000649245120 1123366983 /nfs/dbraw/zinc/36/69/83/1123366983.db2.gz PYDIKFYQFJRMGH-HOTGVXAUSA-N -1 0 331.412 3.613 20 0 EHADRM O=C(NCc1ccccc1N1CCCC1)c1c(O)cccc1Cl ZINC000920456740 1123371276 /nfs/dbraw/zinc/37/12/76/1123371276.db2.gz DWVJNDZMUINAPK-UHFFFAOYSA-N -1 0 330.815 3.576 20 0 EHADRM O=C(Nc1ccc(-n2cccn2)c(F)c1)c1c([O-])cccc1Cl ZINC000920457868 1123371850 /nfs/dbraw/zinc/37/18/50/1123371850.db2.gz XXLZFKHBDFVNSC-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM C[C@H](CNC(=O)c1ccc([O-])c(Cl)c1)c1ccc(F)cc1F ZINC000075350117 1123392144 /nfs/dbraw/zinc/39/21/44/1123392144.db2.gz UOBAIVQDHCWEEQ-SECBINFHSA-N -1 0 325.742 3.857 20 0 EHADRM CC(C)c1ccc(CCC(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000236638323 1123441804 /nfs/dbraw/zinc/44/18/04/1123441804.db2.gz SNIXQPILBINWQI-UHFFFAOYSA-N -1 0 325.408 3.757 20 0 EHADRM CCCC(CCC)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000236769623 1123463186 /nfs/dbraw/zinc/46/31/86/1123463186.db2.gz GBJFDHHIZDDTRO-UHFFFAOYSA-N -1 0 327.808 3.958 20 0 EHADRM CCCOC1(CNC(=O)CCc2ccc(C(=O)[O-])cc2)CCCCC1 ZINC000236883224 1123480734 /nfs/dbraw/zinc/48/07/34/1123480734.db2.gz XLQQALOZKYMYED-UHFFFAOYSA-N -1 0 347.455 3.563 20 0 EHADRM COc1ccccc1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000237101652 1123493632 /nfs/dbraw/zinc/49/36/32/1123493632.db2.gz BWAFEWSYZLCNCC-UHFFFAOYSA-N -1 0 327.361 3.860 20 0 EHADRM O=C(NCCSc1ccc(Cl)cc1)c1c([O-])cc(F)cc1F ZINC000066042380 1129125469 /nfs/dbraw/zinc/12/54/69/1129125469.db2.gz QDMDZPCPNPQTTP-UHFFFAOYSA-N -1 0 343.782 3.846 20 0 EHADRM O=C(NCCOc1ccc2ccccc2c1)c1c([O-])cc(F)cc1F ZINC000066042463 1129125529 /nfs/dbraw/zinc/12/55/29/1129125529.db2.gz WQWHIJOCPXKWQQ-UHFFFAOYSA-N -1 0 343.329 3.632 20 0 EHADRM C[C@@H]1C[C@H]1[C@@H](NC(=O)c1ccc(C(=O)[O-])o1)c1ccc(Cl)cc1 ZINC000237454395 1123520062 /nfs/dbraw/zinc/52/00/62/1123520062.db2.gz OBDUGOSIQUMQSY-BCQZVRRWSA-N -1 0 333.771 3.758 20 0 EHADRM Cc1nc([C@H](C)NC(=O)C(C)(C)c2ccc(C)cc2)sc1C(=O)[O-] ZINC000237543240 1123744688 /nfs/dbraw/zinc/74/46/88/1123744688.db2.gz ZSRXNZKKLJKBSI-LBPRGKRZSA-N -1 0 346.452 3.613 20 0 EHADRM CC(C)n1nccc1[N-]S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000066248454 1129142270 /nfs/dbraw/zinc/14/22/70/1129142270.db2.gz CPSJSEAWCIYHRH-UHFFFAOYSA-N -1 0 341.436 3.932 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)Nc2ccc(F)cc2F)n1 ZINC000080441821 1123754078 /nfs/dbraw/zinc/75/40/78/1123754078.db2.gz ISGKNWNDBGOXDD-UHFFFAOYSA-N -1 0 347.296 3.556 20 0 EHADRM O=C(Nc1c(=O)[nH][n-]c1-c1ccccc1)C1CCC(C2CC2)CC1 ZINC000615281173 1123770998 /nfs/dbraw/zinc/77/09/98/1123770998.db2.gz MNXSOSUMRLLGFI-UHFFFAOYSA-N -1 0 325.412 3.937 20 0 EHADRM C[C@H](NC(=O)CCCCC(=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000263345518 1123818063 /nfs/dbraw/zinc/81/80/63/1123818063.db2.gz YWIBZPQFLYHJRH-INIZCTEOSA-N -1 0 339.435 3.968 20 0 EHADRM Cc1ccc2oc(C(=O)[N-]NC(=O)CCCc3ccccc3)cc2c1 ZINC000068051723 1123819015 /nfs/dbraw/zinc/81/90/15/1123819015.db2.gz PGUXNDNWHMRPEF-UHFFFAOYSA-N -1 0 336.391 3.525 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N[C@H](C)[C@@H](C)C(=O)[O-] ZINC000263478245 1123890674 /nfs/dbraw/zinc/89/06/74/1123890674.db2.gz UBBZWYGGZLBEFJ-ZYHUDNBSSA-N -1 0 325.364 3.733 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000237940894 1123917774 /nfs/dbraw/zinc/91/77/74/1123917774.db2.gz QYEIIIXLFXAFKH-HNNXBMFYSA-N -1 0 345.370 3.945 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)CSC(F)(F)F)ccc2s1 ZINC000238010310 1123945175 /nfs/dbraw/zinc/94/51/75/1123945175.db2.gz HNINHYQVDJLZEU-UHFFFAOYSA-N -1 0 335.328 3.791 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000245858728 1123963438 /nfs/dbraw/zinc/96/34/38/1123963438.db2.gz BEZVERVRRNPSMB-DVOMOZLQSA-N -1 0 343.402 3.510 20 0 EHADRM CCCc1occc1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000263539143 1124034157 /nfs/dbraw/zinc/03/41/57/1124034157.db2.gz QAEUBZDLXRYZFK-UHFFFAOYSA-N -1 0 331.368 3.728 20 0 EHADRM COc1ccc(-c2cc(C(=O)N[C@H](C)[C@H](C)C(=O)[O-])sc2C)cc1 ZINC000263548407 1124079010 /nfs/dbraw/zinc/07/90/10/1124079010.db2.gz VFBAHOBZTPPGHJ-WDEREUQCSA-N -1 0 347.436 3.571 20 0 EHADRM C[C@H](Oc1cccc(C(=O)/C=C/c2cccc3cnccc23)c1)C(=O)[O-] ZINC000180931282 1124105204 /nfs/dbraw/zinc/10/52/04/1124105204.db2.gz RMFNREZRDRDLJS-VFNNOXKTSA-N -1 0 347.370 3.983 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)N=c1[n-]nc(C)s1)c1ccc(Cl)cc1 ZINC000466073780 1129176366 /nfs/dbraw/zinc/17/63/66/1129176366.db2.gz ZXMWAIZQOTWFFR-TVQRCGJNSA-N -1 0 338.864 3.831 20 0 EHADRM C[C@H]1CCC[C@@H](CCNC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)C1 ZINC000734558436 1131249347 /nfs/dbraw/zinc/24/93/47/1131249347.db2.gz UMILSXBJZXBFJQ-RYUDHWBXSA-N -1 0 345.468 3.570 20 0 EHADRM COc1ccccc1[C@H](CC(C)C)NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000263571498 1124538169 /nfs/dbraw/zinc/53/81/69/1124538169.db2.gz JLRHHFNDUUVKCE-ZOBUZTSGSA-N -1 0 347.455 3.790 20 0 EHADRM CCCOc1ccc(O[C@H]2CCCC[C@H]2[N-]C(=O)C(F)(F)F)cc1 ZINC000735062759 1131305481 /nfs/dbraw/zinc/30/54/81/1131305481.db2.gz NLLCWCFSVDYSHZ-CABCVRRESA-N -1 0 345.361 3.844 20 0 EHADRM CCCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000735204229 1131316617 /nfs/dbraw/zinc/31/66/17/1131316617.db2.gz SFZGWJBFJSGEMZ-ZDUSSCGKSA-N -1 0 329.437 3.627 20 0 EHADRM CCCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000735204252 1131316808 /nfs/dbraw/zinc/31/68/08/1131316808.db2.gz TUPGVVPVWZTCKG-OAHLLOKOSA-N -1 0 343.464 3.768 20 0 EHADRM CCCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000735204228 1131316850 /nfs/dbraw/zinc/31/68/50/1131316850.db2.gz SFZGWJBFJSGEMZ-CYBMUJFWSA-N -1 0 329.437 3.627 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)c1 ZINC000090166843 1124899409 /nfs/dbraw/zinc/89/94/09/1124899409.db2.gz SGTHDXKYTVKHLY-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM O=C(c1nn(-c2ccccc2)cc1[O-])N1CC[C@@H](C2CCCCC2)C1 ZINC000618184678 1125019756 /nfs/dbraw/zinc/01/97/56/1125019756.db2.gz CSYICGGVKVDVCA-MRXNPFEDSA-N -1 0 339.439 3.620 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1cccc(Cl)c1[O-])C(=O)OC(C)(C)C ZINC001127668804 1125121558 /nfs/dbraw/zinc/12/15/58/1125121558.db2.gz SBPPFOLAFOUHLC-GWCFXTLKSA-N -1 0 341.835 3.532 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)Cc2ccccc2)cc1 ZINC000070031319 1125164444 /nfs/dbraw/zinc/16/44/44/1125164444.db2.gz BADVHCJSUBCGPY-CQSZACIVSA-N -1 0 331.437 3.839 20 0 EHADRM CC[C@H]1CC[C@H](C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)CC1 ZINC000253586268 1125174974 /nfs/dbraw/zinc/17/49/74/1125174974.db2.gz XPLUIKURRLFEGC-HAQNSBGRSA-N -1 0 333.457 3.572 20 0 EHADRM CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2cc(F)c([O-])c(F)c2)C12CCC2 ZINC000619100461 1125280770 /nfs/dbraw/zinc/28/07/70/1125280770.db2.gz AKYGFNLGJHOTQL-ZIAGYGMSSA-N -1 0 339.382 3.527 20 0 EHADRM [O-]C(=Cc1cc2ccccc2o1)Nc1nc(-c2ccccc2)ns1 ZINC000619597866 1125370810 /nfs/dbraw/zinc/37/08/10/1125370810.db2.gz DPYCRQRDMDOZDM-UHFFFAOYSA-N -1 0 335.388 3.554 20 0 EHADRM C[C@H]1CN(C(=O)c2sccc2-c2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000261887215 1125388545 /nfs/dbraw/zinc/38/85/45/1125388545.db2.gz NHLMEEOBXDRWGJ-JSGCOSHPSA-N -1 0 329.421 3.598 20 0 EHADRM COC[C@H](C)Oc1cccc(-c2ccc3c(c2)[C@@H](C(=O)[O-])CCO3)c1 ZINC000657205369 1129208077 /nfs/dbraw/zinc/20/80/77/1129208077.db2.gz SVLCTEXKHDCFEB-GUYCJALGSA-N -1 0 342.391 3.718 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccsc2)s1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000466132434 1129238777 /nfs/dbraw/zinc/23/87/77/1129238777.db2.gz NOHYBDSTGGJAJI-DMDPSCGWSA-N -1 0 348.497 3.779 20 0 EHADRM Cc1cccnc1[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000068038427 1129335650 /nfs/dbraw/zinc/33/56/50/1129335650.db2.gz ODRXWNIPNVDCOK-UHFFFAOYSA-N -1 0 345.251 3.536 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cn1)c1cccc(C(F)(F)F)c1 ZINC000068300357 1129359255 /nfs/dbraw/zinc/35/92/55/1129359255.db2.gz FRHYBMXNMMSUHX-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000499747593 1129450621 /nfs/dbraw/zinc/45/06/21/1129450621.db2.gz FUDMOXSITDWFCI-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM O=C([O-])c1cccc(N2N=C(c3ccc4c(c3)CCCC4)CCC2=O)c1 ZINC000013060444 1129496075 /nfs/dbraw/zinc/49/60/75/1129496075.db2.gz FXOCBYNMVVSKHY-UHFFFAOYSA-N -1 0 348.402 3.795 20 0 EHADRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)cc1)c1ccccc1 ZINC000013187516 1129509662 /nfs/dbraw/zinc/50/96/62/1129509662.db2.gz OCGGGILZDWSEHZ-MSOLQXFVSA-N -1 0 341.407 3.521 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000922537465 1129565186 /nfs/dbraw/zinc/56/51/86/1129565186.db2.gz GQGCUZPKMDAIHN-XPTSAGLGSA-N -1 0 333.309 3.884 20 0 EHADRM Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000347726079 1129600680 /nfs/dbraw/zinc/60/06/80/1129600680.db2.gz DTNPNASXEJEJTE-UHFFFAOYSA-N -1 0 336.347 3.529 20 0 EHADRM Cc1ccccc1[C@]1(F)CCN(C(=O)c2cc(F)cc(F)c2[O-])C1 ZINC001626087277 1129681788 /nfs/dbraw/zinc/68/17/88/1129681788.db2.gz MIUMMIVTCGEOMK-SFHVURJKSA-N -1 0 335.325 3.690 20 0 EHADRM C[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccccc1Cl)CC(C)(C)C ZINC000751871472 1131392659 /nfs/dbraw/zinc/39/26/59/1131392659.db2.gz DMASQLKPIXGPGZ-GFCCVEGCSA-N -1 0 345.892 3.748 20 0 EHADRM FC(F)(F)CN=c1[n-]nc(SC[C@@H]2CCCC(F)(F)C2)s1 ZINC000509070809 1129717955 /nfs/dbraw/zinc/71/79/55/1129717955.db2.gz WVTNWEFYELFMDC-SSDOTTSWSA-N -1 0 347.378 3.852 20 0 EHADRM Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C ZINC000509078955 1129726438 /nfs/dbraw/zinc/72/64/38/1129726438.db2.gz DWWFFLQSTFLHAX-UHFFFAOYSA-N -1 0 345.342 3.829 20 0 EHADRM C[C@H](OC(=O)c1c(F)cc([O-])cc1F)C(=O)c1ccc(Cl)cc1 ZINC000735949372 1131393751 /nfs/dbraw/zinc/39/37/51/1131393751.db2.gz DLSHHUMTHIUXJW-QMMMGPOBSA-N -1 0 340.709 3.752 20 0 EHADRM CC[C@H](NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)C1CCCCC1 ZINC000673654672 1129767782 /nfs/dbraw/zinc/76/77/82/1129767782.db2.gz ZCBMZCWAWWUEGU-KRWDZBQOSA-N -1 0 341.455 3.563 20 0 EHADRM CCC(C)(C)CS(=O)(=O)[N-][C@H](c1ccc(C)o1)C(F)(F)F ZINC000625272888 1129795913 /nfs/dbraw/zinc/79/59/13/1129795913.db2.gz YAJLOOMTTMWWJC-LLVKDONJSA-N -1 0 327.368 3.547 20 0 EHADRM O=C(CCCOc1ccc2c(c1)OCO2)Nc1ccc(O)c(Cl)c1 ZINC000509163255 1129901022 /nfs/dbraw/zinc/90/10/22/1129901022.db2.gz DQXWKTOGOKRPIL-UHFFFAOYSA-N -1 0 349.770 3.572 20 0 EHADRM Cc1cccc(O)c1C(=O)N1C[C@H](c2ccccc2Cl)OC[C@H]1C ZINC000625486586 1129902798 /nfs/dbraw/zinc/90/27/98/1129902798.db2.gz HUYPGJVLNMWCFJ-CXAGYDPISA-N -1 0 345.826 3.956 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(Br)ncc2F)c(F)c1F ZINC001212511963 1129916776 /nfs/dbraw/zinc/91/67/76/1129916776.db2.gz OAENCWZEXMGWNR-UHFFFAOYSA-N -1 0 347.090 3.703 20 0 EHADRM COCCNc1cccc(F)c1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212516101 1129928377 /nfs/dbraw/zinc/92/83/77/1129928377.db2.gz ZBRCRXPSJCIYQV-UHFFFAOYSA-N -1 0 340.301 3.604 20 0 EHADRM CC(C)Cc1n[n-]c(=NCc2cn(-c3ccccc3)nc2C(C)C)o1 ZINC000347882449 1129973594 /nfs/dbraw/zinc/97/35/94/1129973594.db2.gz OFBJKMCFMFTGRN-UHFFFAOYSA-N -1 0 339.443 3.611 20 0 EHADRM FC(F)(F)c1ccccc1CN=c1[n-]nc(Cc2ccsc2)o1 ZINC000347883771 1129976820 /nfs/dbraw/zinc/97/68/20/1129976820.db2.gz PNRFPYGWKSTAJK-UHFFFAOYSA-N -1 0 339.342 3.775 20 0 EHADRM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000171013638 1129997864 /nfs/dbraw/zinc/99/78/64/1129997864.db2.gz QWPHCLIGJBFHIO-SNVBAGLBSA-N -1 0 343.807 3.987 20 0 EHADRM CCCCc1nnc(NC(=O)c2cnc(-c3ccccn3)s2)s1 ZINC000171401519 1130053960 /nfs/dbraw/zinc/05/39/60/1130053960.db2.gz WETDPICNVITMOL-UHFFFAOYSA-N -1 0 345.453 3.652 20 0 EHADRM COCc1cccc(S(=O)(=O)[N-]c2ccccc2OCC(C)C)c1 ZINC000171337238 1130046642 /nfs/dbraw/zinc/04/66/42/1130046642.db2.gz IYQABJXBRPONBZ-UHFFFAOYSA-N -1 0 349.452 3.669 20 0 EHADRM CC(C)Sc1ccc(Cl)cc1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000172368930 1130127987 /nfs/dbraw/zinc/12/79/87/1130127987.db2.gz JNOOCHJWHKAEJW-LBPRGKRZSA-N -1 0 349.905 3.761 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1O ZINC000674754336 1130187580 /nfs/dbraw/zinc/18/75/80/1130187580.db2.gz CYPDJPUBDYAHFZ-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM Fc1cncc(-c2nc(-c3ccc4[n-]c(=S)sc4c3)no2)c1 ZINC001212534058 1130305269 /nfs/dbraw/zinc/30/52/69/1130305269.db2.gz VQHQLHJUFFJNGN-UHFFFAOYSA-N -1 0 330.369 3.836 20 0 EHADRM O=S(=O)([O-])c1cccc2cc(Nc3cccc(O)c3F)ccc21 ZINC001212551375 1130362687 /nfs/dbraw/zinc/36/26/87/1130362687.db2.gz OEDAVNXQGKKCPC-UHFFFAOYSA-N -1 0 333.340 3.675 20 0 EHADRM O=S(=O)([N-]c1cc(C2CCCC2)[nH]n1)c1ccc(F)c(Cl)c1 ZINC000675546645 1130426204 /nfs/dbraw/zinc/42/62/04/1130426204.db2.gz IWSRGQGORLUTQD-UHFFFAOYSA-N -1 0 343.811 3.661 20 0 EHADRM O=C([O-])CCN(CC1CC1)C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000675969374 1130512312 /nfs/dbraw/zinc/51/23/12/1130512312.db2.gz AZEPYAHGBJBNFB-UHFFFAOYSA-N -1 0 347.798 3.927 20 0 EHADRM C[C@H](CC(=O)N(CC(=O)[O-])CC1CC1)c1ccccc1C(F)(F)F ZINC000675974710 1130513779 /nfs/dbraw/zinc/51/37/79/1130513779.db2.gz XPUBZDDWRNIOCT-LLVKDONJSA-N -1 0 343.345 3.522 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cccc(C(F)F)c2)cnn1CC(C)C ZINC000780397528 1130620218 /nfs/dbraw/zinc/62/02/18/1130620218.db2.gz MNECUSMQIRKPCE-UHFFFAOYSA-N -1 0 343.399 3.586 20 0 EHADRM C[C@H](C[N-]C(=O)C(F)(F)F)Sc1ccc(Br)cc1 ZINC000731654066 1130823370 /nfs/dbraw/zinc/82/33/70/1130823370.db2.gz HZTONKGIWCURGI-SSDOTTSWSA-N -1 0 342.180 3.608 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1n[n-]c2ccccc2c1=O ZINC000731871641 1130856680 /nfs/dbraw/zinc/85/66/80/1130856680.db2.gz PDJYYLMXUJAUIC-CQSZACIVSA-N -1 0 349.434 3.822 20 0 EHADRM O=C(Nc1ccc(N2CCCC2=O)c(F)c1)c1c([O-])cccc1Cl ZINC000732678288 1130947431 /nfs/dbraw/zinc/94/74/31/1130947431.db2.gz ZYWSRZYJKUDEJA-UHFFFAOYSA-N -1 0 348.761 3.564 20 0 EHADRM COc1cc(Cl)c(C)cc1NC(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC000032496809 1131027392 /nfs/dbraw/zinc/02/73/92/1131027392.db2.gz TVFZPMJANYZREK-ZDUSSCGKSA-N -1 0 347.798 3.854 20 0 EHADRM CCC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)Cc1ccccc1 ZINC000733680424 1131066944 /nfs/dbraw/zinc/06/69/44/1131066944.db2.gz QIAJIXMTRMVFEN-QGZVFWFLSA-N -1 0 337.485 3.629 20 0 EHADRM CCC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000733686686 1131068224 /nfs/dbraw/zinc/06/82/24/1131068224.db2.gz UXZIUYAGGFYAEE-HNNXBMFYSA-N -1 0 329.506 3.762 20 0 EHADRM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@H](C)C1CCCCC1 ZINC000737344586 1131447613 /nfs/dbraw/zinc/44/76/13/1131447613.db2.gz JWSIJGKXZXOVEI-LSDHHAIUSA-N -1 0 337.485 3.800 20 0 EHADRM C[C@H](CC(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1)C1CCCCC1 ZINC000737344583 1131447715 /nfs/dbraw/zinc/44/77/15/1131447715.db2.gz JWSIJGKXZXOVEI-HUUCEWRRSA-N -1 0 337.485 3.800 20 0 EHADRM Cc1c(Cl)cccc1OCC(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000738202579 1131463779 /nfs/dbraw/zinc/46/37/79/1131463779.db2.gz SCVNHRADWMOQHI-JXMROGBWSA-N -1 0 345.782 3.764 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)c2csc(-c3ccoc3)n2)cc1 ZINC000738558324 1131472187 /nfs/dbraw/zinc/47/21/87/1131472187.db2.gz KPOFVIWHDNRPAG-UTCJRWHESA-N -1 0 340.360 3.753 20 0 EHADRM CC[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 ZINC000739139135 1131493425 /nfs/dbraw/zinc/49/34/25/1131493425.db2.gz WKINGBNOJGVHFU-MRXNPFEDSA-N -1 0 345.464 3.692 20 0 EHADRM O=C(c1n[n-]c2ccccc2c1=O)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000742137791 1131689901 /nfs/dbraw/zinc/68/99/01/1131689901.db2.gz FHRXEYUZDNBIFP-OAHLLOKOSA-N -1 0 339.782 3.576 20 0 EHADRM CN(C(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C1CCCCCC1 ZINC000180624461 1131790469 /nfs/dbraw/zinc/79/04/69/1131790469.db2.gz NFHDYXUFVLCQKF-UHFFFAOYSA-N -1 0 331.391 3.512 20 0 EHADRM CCc1cnc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)s1 ZINC000743047853 1131842824 /nfs/dbraw/zinc/84/28/24/1131842824.db2.gz DYBUHKZLBSJCGD-BQYQJAHWSA-N -1 0 328.846 3.772 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)C2CCCCCCC2)c(C)s1 ZINC000744079412 1132016447 /nfs/dbraw/zinc/01/64/47/1132016447.db2.gz OGWCTLVJALVKFD-UHFFFAOYSA-N -1 0 329.487 3.530 20 0 EHADRM Cc1cc(S(=O)(=O)[O-])c(Nc2ccc(F)cc2F)cc1Cl ZINC001173927293 1132172961 /nfs/dbraw/zinc/17/29/61/1132172961.db2.gz SDMWFFXQPLJQAJ-UHFFFAOYSA-N -1 0 333.743 3.917 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)C=Cc2ccc(Cl)cc2)c2n[nH]cc21 ZINC000745833688 1132322305 /nfs/dbraw/zinc/32/23/05/1132322305.db2.gz CLBYHFIAFKZUIT-HJWRWDBZSA-N -1 0 347.827 3.937 20 0 EHADRM CCC(C)(C)CC(=O)[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000745948923 1132335898 /nfs/dbraw/zinc/33/58/98/1132335898.db2.gz ZIGIHENESUGKFS-UHFFFAOYSA-N -1 0 325.474 3.551 20 0 EHADRM COc1cc(OC)c(F)c(Nc2cccc(/C=C/C(=O)[O-])c2)c1F ZINC001174496944 1132372056 /nfs/dbraw/zinc/37/20/56/1132372056.db2.gz WEMSNRZPALHAIV-VOTSOKGWSA-N -1 0 335.306 3.823 20 0 EHADRM COc1cccc([C@@H](C)NC(=O)c2ccc3[n-]c(=S)oc3c2)c1 ZINC000746120391 1132377724 /nfs/dbraw/zinc/37/77/24/1132377724.db2.gz QEMDIHYXRGCKMW-SNVBAGLBSA-N -1 0 328.393 3.616 20 0 EHADRM CCN(C)c1ccccc1CNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000746229176 1132393643 /nfs/dbraw/zinc/39/36/43/1132393643.db2.gz LAUYBPFMISFNOP-UHFFFAOYSA-N -1 0 341.436 3.503 20 0 EHADRM O=C(NCCc1cc2ccccc2o1)c1ccc2[n-]c(=S)oc2c1 ZINC000746290029 1132397708 /nfs/dbraw/zinc/39/77/08/1132397708.db2.gz UFDZFMZJBSJTIH-UHFFFAOYSA-N -1 0 338.388 3.835 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cc(C(F)(F)F)ccc1O ZINC001174677081 1132433632 /nfs/dbraw/zinc/43/36/32/1132433632.db2.gz UVMLTLSDROJMMJ-UHFFFAOYSA-N -1 0 327.258 3.861 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc2ncnc(Cl)c2c1 ZINC001174680042 1132434633 /nfs/dbraw/zinc/43/46/33/1132434633.db2.gz LPQJYDYBQXWOEN-UHFFFAOYSA-N -1 0 329.743 3.734 20 0 EHADRM COc1cc(Nc2c(C)cnn2-c2ccccc2C)ccc1C(=O)[O-] ZINC001174682596 1132435068 /nfs/dbraw/zinc/43/50/68/1132435068.db2.gz DEMMCVSMTJHQRL-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM COC(=O)c1ccc(Cl)c(Nc2ccc(C(=O)[O-])c(OC)c2)c1 ZINC001174685724 1132435730 /nfs/dbraw/zinc/43/57/30/1132435730.db2.gz XAOVLHIFLLDCBL-UHFFFAOYSA-N -1 0 335.743 3.577 20 0 EHADRM COc1cc(Nc2cnc3c(ccc(F)c3F)c2)ccc1C(=O)[O-] ZINC001174684497 1132435811 /nfs/dbraw/zinc/43/58/11/1132435811.db2.gz QIGPGQZNKULMGI-UHFFFAOYSA-N -1 0 330.290 3.963 20 0 EHADRM CC1(C)CN(C(=O)c2c([O-])cc(F)cc2F)CC[C@@H]1C(F)(F)F ZINC000190652094 1132454886 /nfs/dbraw/zinc/45/48/86/1132454886.db2.gz XRNWWHRUKOJPBJ-NSHDSACASA-N -1 0 337.288 3.721 20 0 EHADRM O=C([O-])c1ccc(Nc2cnc3ccc(Br)cn23)s1 ZINC001174805384 1132477877 /nfs/dbraw/zinc/47/78/77/1132477877.db2.gz RDTBFELMMJLXDW-UHFFFAOYSA-N -1 0 338.186 3.600 20 0 EHADRM CC(C)(C)OC(=O)c1ccc(Nc2ccc(C(=O)[O-])s2)c(O)c1 ZINC001174807931 1132478934 /nfs/dbraw/zinc/47/89/34/1132478934.db2.gz MXTFEXXQAMOFHQ-UHFFFAOYSA-N -1 0 335.381 3.851 20 0 EHADRM Nc1cc2c(ccn2-c2ccc(C(=O)[O-])s2)cc1Br ZINC001174808657 1132479100 /nfs/dbraw/zinc/47/91/00/1132479100.db2.gz WUUJRDKZWDKJJH-UHFFFAOYSA-N -1 0 337.198 3.735 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(N3CCSCC3)c(F)c2)s1 ZINC001174808746 1132479391 /nfs/dbraw/zinc/47/93/91/1132479391.db2.gz YHWJSRNVEVKUHJ-UHFFFAOYSA-N -1 0 338.429 3.882 20 0 EHADRM CNc1cccc(Br)c1Nc1ccc(C(=O)[O-])s1 ZINC001174809231 1132479940 /nfs/dbraw/zinc/47/99/40/1132479940.db2.gz CUCBSWWIBDQUSI-UHFFFAOYSA-N -1 0 327.203 3.994 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)CCn2ccc3ccccc32)cc1 ZINC000746349698 1132482780 /nfs/dbraw/zinc/48/27/80/1132482780.db2.gz WDCYQDYXXCELQY-YFHOEESVSA-N -1 0 334.375 3.768 20 0 EHADRM CC(C)(C)OCc1ccc(Nc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC001174912720 1132502627 /nfs/dbraw/zinc/50/26/27/1132502627.db2.gz WBSVOCNFVTWJDM-UHFFFAOYSA-N -1 0 335.425 3.992 20 0 EHADRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)/C=C/c1ccsc1 ZINC000746377882 1132503601 /nfs/dbraw/zinc/50/36/01/1132503601.db2.gz YWJDADKWHDHPDT-ZZXKWVIFSA-N -1 0 335.812 3.528 20 0 EHADRM O=C([O-])Cc1ccc(Nc2cc(Cl)ncc2Br)cc1 ZINC001174948807 1132515780 /nfs/dbraw/zinc/51/57/80/1132515780.db2.gz DXBSXSBHCMDIDJ-UHFFFAOYSA-N -1 0 341.592 3.868 20 0 EHADRM COC(=O)c1cc(Nc2ccc(CC(=O)[O-])cc2)c(F)cc1Cl ZINC001174954264 1132517294 /nfs/dbraw/zinc/51/72/94/1132517294.db2.gz IMXNYGPSJZGOBL-UHFFFAOYSA-N -1 0 337.734 3.636 20 0 EHADRM CCN(CC)C(=O)c1ccccc1Nc1ccc(CC(=O)[O-])cc1 ZINC001174956160 1132518460 /nfs/dbraw/zinc/51/84/60/1132518460.db2.gz IWKCBTWHQHGNDQ-UHFFFAOYSA-N -1 0 326.396 3.539 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CCC(=O)NCC2(CC(=O)[O-])CCCCC2)o1 ZINC000392649737 1132520415 /nfs/dbraw/zinc/52/04/15/1132520415.db2.gz TXIFMABFLHCRSV-HOCLYGCPSA-N -1 0 347.455 3.877 20 0 EHADRM CN(C)c1cccc(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)c1 ZINC001174963831 1132520990 /nfs/dbraw/zinc/52/09/90/1132520990.db2.gz UBCHBJMQCYZSGN-UHFFFAOYSA-N -1 0 342.420 3.896 20 0 EHADRM COc1c(C)cc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)cc1C ZINC001174997307 1132525659 /nfs/dbraw/zinc/52/56/59/1132525659.db2.gz OZNUKBOYJCWSHB-UHFFFAOYSA-N -1 0 341.816 3.956 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)C[C@H](C)CC(C)(C)C)c(C)s1 ZINC000746430219 1132525896 /nfs/dbraw/zinc/52/58/96/1132525896.db2.gz KRVSVRACUCUZJQ-JTQLQIEISA-N -1 0 331.503 3.632 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1ccc(N2CCOCC2)c(C)c1 ZINC001174981413 1132534041 /nfs/dbraw/zinc/53/40/41/1132534041.db2.gz BHKUTDZCZHXNRY-UHFFFAOYSA-N -1 0 326.396 3.582 20 0 EHADRM CCOC(=O)c1ccc(Nc2cc(C(=O)[O-])ccc2C)c(OC)c1 ZINC001174984029 1132535015 /nfs/dbraw/zinc/53/50/15/1132535015.db2.gz JTEXWXIAVMZDQR-UHFFFAOYSA-N -1 0 329.352 3.622 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1cnc(Br)c(F)c1 ZINC001174982601 1132535203 /nfs/dbraw/zinc/53/52/03/1132535203.db2.gz ULIWWASHNFSKQY-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM CCOc1ccc(F)cc1Nc1c(C)cc(C)cc1S(=O)(=O)[O-] ZINC001175081348 1132561840 /nfs/dbraw/zinc/56/18/40/1132561840.db2.gz PFILHPALMLWYAK-UHFFFAOYSA-N -1 0 339.388 3.832 20 0 EHADRM O=C([O-])c1ccc(Nc2nc(F)cc(C(F)(F)F)c2F)cc1F ZINC001175154355 1132569092 /nfs/dbraw/zinc/56/90/92/1132569092.db2.gz LFMNYZLRSPBKDD-UHFFFAOYSA-N -1 0 336.191 3.960 20 0 EHADRM COc1cc(OC)c(Nc2ccc(C(=O)[O-])c(F)c2)cc1Cl ZINC001175157850 1132569577 /nfs/dbraw/zinc/56/95/77/1132569577.db2.gz VKRARRRNRUPCGM-UHFFFAOYSA-N -1 0 325.723 3.938 20 0 EHADRM Cc1cc(Nc2ccc(C(=O)[O-])c(F)c2)n(Cc2cccc(F)c2)n1 ZINC001175157132 1132569721 /nfs/dbraw/zinc/56/97/21/1132569721.db2.gz ACSUOPJIVFLPCW-UHFFFAOYSA-N -1 0 343.333 3.960 20 0 EHADRM Cc1cc(N)c(Nc2ccc(C(=O)[O-])c(F)c2)cc1Br ZINC001175158830 1132570983 /nfs/dbraw/zinc/57/09/83/1132570983.db2.gz YNIKJLFUHOQULK-UHFFFAOYSA-N -1 0 339.164 3.921 20 0 EHADRM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)[N-]Oc1ccccc1 ZINC000773468901 1132588765 /nfs/dbraw/zinc/58/87/65/1132588765.db2.gz VRFFLNOFWQKFEE-NSHDSACASA-N -1 0 325.286 3.583 20 0 EHADRM Cc1ccc(-c2cc(Nc3ccc(F)c(C(=O)[O-])c3)n(C)n2)cc1 ZINC001175219595 1132597741 /nfs/dbraw/zinc/59/77/41/1132597741.db2.gz AQAHIKZIMAVHHU-UHFFFAOYSA-N -1 0 325.343 3.976 20 0 EHADRM COC(=O)c1nc2ccccc2cc1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175221316 1132598795 /nfs/dbraw/zinc/59/87/95/1132598795.db2.gz YOVARYNGFOPBDC-UHFFFAOYSA-N -1 0 340.310 3.602 20 0 EHADRM Cc1ccc(Br)nc1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175220073 1132598925 /nfs/dbraw/zinc/59/89/25/1132598925.db2.gz KQMTZCYJAVVJIR-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM COC(=O)c1cc(F)c(Nc2ccc(F)c(C(=O)[O-])c2)c(C)c1F ZINC001175220775 1132599129 /nfs/dbraw/zinc/59/91/29/1132599129.db2.gz AELQXWZGRBCVOL-UHFFFAOYSA-N -1 0 339.269 3.641 20 0 EHADRM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1sccc1C1CC1 ZINC001168913985 1132604867 /nfs/dbraw/zinc/60/48/67/1132604867.db2.gz IQIGAZAPLFKGTD-UHFFFAOYSA-N -1 0 325.393 3.769 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(Br)cn2)cc1Cl ZINC001175313728 1132635368 /nfs/dbraw/zinc/63/53/68/1132635368.db2.gz JSCZSOHGSFPALN-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000766569962 1132637234 /nfs/dbraw/zinc/63/72/34/1132637234.db2.gz IUBIBQGFOKBRRQ-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(C(=O)CCCO)cc2)cc1Cl ZINC001175320983 1132637940 /nfs/dbraw/zinc/63/79/40/1132637940.db2.gz MICWHSOUGUZEIL-UHFFFAOYSA-N -1 0 333.771 3.737 20 0 EHADRM CN1Cc2cc(Nc3ccc(C(=O)[O-])c(Cl)c3)ccc2N(C)C1=O ZINC001175320497 1132638117 /nfs/dbraw/zinc/63/81/17/1132638117.db2.gz GIOOESLPRBUDSK-UHFFFAOYSA-N -1 0 345.786 3.783 20 0 EHADRM CC(=O)COC(=O)c1ccccc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175322037 1132638930 /nfs/dbraw/zinc/63/89/30/1132638930.db2.gz QUFUWUNAKZPVNA-UHFFFAOYSA-N -1 0 347.754 3.528 20 0 EHADRM CCOC(=O)c1sc2ncccc2c1Nc1cccc(C(=O)[O-])c1 ZINC001175327416 1132639078 /nfs/dbraw/zinc/63/90/78/1132639078.db2.gz LEURLTQUIPHCSE-UHFFFAOYSA-N -1 0 342.376 3.915 20 0 EHADRM COC(=O)c1cc(Cl)nc(Cl)c1Nc1cccc(C(=O)[O-])c1 ZINC001175327644 1132639346 /nfs/dbraw/zinc/63/93/46/1132639346.db2.gz SBWQBQUMGUKCJV-UHFFFAOYSA-N -1 0 341.150 3.617 20 0 EHADRM O=C([O-])c1cccc(Nc2cncc(Br)c2Cl)c1 ZINC001175327323 1132639353 /nfs/dbraw/zinc/63/93/53/1132639353.db2.gz GAOKLXBHBNPJRS-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM O=C([O-])c1cccc(Nc2cccc(F)c2OC[C@H]2CCCO2)c1 ZINC001175335183 1132642166 /nfs/dbraw/zinc/64/21/66/1132642166.db2.gz XANZQRRYSOCMDP-CQSZACIVSA-N -1 0 331.343 3.825 20 0 EHADRM CC(C)Sc1ccc(Nc2ccc(C(=O)NCC(=O)[O-])cc2)cc1 ZINC001175628865 1132718108 /nfs/dbraw/zinc/71/81/08/1132718108.db2.gz JNOXZGLOGNAEIM-UHFFFAOYSA-N -1 0 344.436 3.745 20 0 EHADRM O=C(Nc1nccc(Br)c1[O-])[C@@H]1CCCc2ccccc21 ZINC001169374009 1132736565 /nfs/dbraw/zinc/73/65/65/1132736565.db2.gz SNQFNUKISBBJJE-GFCCVEGCSA-N -1 0 347.212 3.608 20 0 EHADRM O=S(=O)([O-])c1cc(Cl)ccc1Nc1ccc2ccncc2c1 ZINC001175705573 1132753817 /nfs/dbraw/zinc/75/38/17/1132753817.db2.gz BSZXPSLZMJBCAA-UHFFFAOYSA-N -1 0 334.784 3.879 20 0 EHADRM Cc1c(C)c(-c2ccc(Cl)cc2)nnc1NCc1cc(=O)[n-]o1 ZINC001169484563 1132765681 /nfs/dbraw/zinc/76/56/81/1132765681.db2.gz TUNIDEKOCKOXQK-UHFFFAOYSA-N -1 0 330.775 3.720 20 0 EHADRM O=C([O-])c1cncc(Nc2cc(Br)ccc2Cl)c1 ZINC001175841442 1132772399 /nfs/dbraw/zinc/77/23/99/1132772399.db2.gz FXIQUEIJHGLUPC-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM O=C([O-])c1cncc(Nc2cc(C3CCC3)nn2-c2ccccc2)c1 ZINC001175841188 1132772500 /nfs/dbraw/zinc/77/25/00/1132772500.db2.gz SSBYGPUKXJBRMD-UHFFFAOYSA-N -1 0 334.379 3.977 20 0 EHADRM CCCn1nc(C)cc1Nc1ccc2c(cccc2S(=O)(=O)[O-])c1 ZINC001175805521 1132775540 /nfs/dbraw/zinc/77/55/40/1132775540.db2.gz ZRSYGOQQPUYBQZ-UHFFFAOYSA-N -1 0 345.424 3.745 20 0 EHADRM O=C(CSCc1ccc(Cl)cc1Cl)[N-]OCC(F)(F)F ZINC000766767671 1132802304 /nfs/dbraw/zinc/80/23/04/1132802304.db2.gz HPSYNIIBOUFLSK-UHFFFAOYSA-N -1 0 348.173 3.837 20 0 EHADRM CCOC(=O)c1c2c(sc1[N-]c1c(C)noc1C)C(=O)CCC2 ZINC001176176643 1132857121 /nfs/dbraw/zinc/85/71/21/1132857121.db2.gz NWDPMCKZHXXARW-UHFFFAOYSA-N -1 0 334.397 3.792 20 0 EHADRM CC(C)Oc1cc(Nc2cnn(CC(=O)[O-])c2)cc(C(F)(F)F)c1 ZINC001176273273 1132899539 /nfs/dbraw/zinc/89/95/39/1132899539.db2.gz WQEGVEOZIBWPRG-UHFFFAOYSA-N -1 0 343.305 3.517 20 0 EHADRM O=C([O-])Cn1cc(Nc2cccc3ccc(-c4ccccc4)nc32)cn1 ZINC001176272366 1132899960 /nfs/dbraw/zinc/89/99/60/1132899960.db2.gz IYILXVDVMMAOHL-UHFFFAOYSA-N -1 0 344.374 3.927 20 0 EHADRM Cc1ccc(F)c([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)c1 ZINC000766891614 1132910518 /nfs/dbraw/zinc/91/05/18/1132910518.db2.gz HKVDGFBCCIVHBW-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM S=c1[n-]c2ccc(Nc3cnn(Cc4cccnc4)c3)cc2s1 ZINC001176456191 1132938879 /nfs/dbraw/zinc/93/88/79/1132938879.db2.gz FYLFFNZKYPUXEU-UHFFFAOYSA-N -1 0 339.449 3.968 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3cc(-c4ccccc4O)no3)cc2)CC1 ZINC001176586732 1132960739 /nfs/dbraw/zinc/96/07/39/1132960739.db2.gz MTEUGCMHAWKGKA-UHFFFAOYSA-N -1 0 336.347 3.907 20 0 EHADRM O=C([O-])C=Cc1ccc(Nc2cc(-c3ccncc3)c[nH]c2=O)cc1 ZINC001176588336 1132961428 /nfs/dbraw/zinc/96/14/28/1132961428.db2.gz CLIWIDVUWDZJOX-ZZXKWVIFSA-N -1 0 333.347 3.691 20 0 EHADRM COC(=O)Cc1cc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)ccc1C ZINC001176588091 1132961644 /nfs/dbraw/zinc/96/16/44/1132961644.db2.gz HTRSWJWVLOKSBR-UHFFFAOYSA-N -1 0 339.391 3.570 20 0 EHADRM COc1ccc(C(C)=O)c(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1 ZINC001176590793 1132962579 /nfs/dbraw/zinc/96/25/79/1132962579.db2.gz SINVWNYGMBHKGS-UHFFFAOYSA-N -1 0 325.364 3.758 20 0 EHADRM CC(C)c1ccc2cc(C(=O)NCC3(C(=O)[O-])CCCC3)[nH]c2c1 ZINC000767185659 1132962850 /nfs/dbraw/zinc/96/28/50/1132962850.db2.gz FOSYBIVUDSJTAS-UHFFFAOYSA-N -1 0 328.412 3.666 20 0 EHADRM COc1ccc(-n2nccc2Nc2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC001176593826 1132963357 /nfs/dbraw/zinc/96/33/57/1132963357.db2.gz KMVNHPVBZDJJDI-NYYWCZLTSA-N -1 0 335.363 3.722 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2nc(F)ccc2Br)cc1 ZINC001176593783 1132963439 /nfs/dbraw/zinc/96/34/39/1132963439.db2.gz IWKLKLBBHBRHHE-FPYGCLRLSA-N -1 0 337.148 3.825 20 0 EHADRM COc1cc(Nc2ccc(/C=C/C(=O)[O-])cc2)cc(Br)n1 ZINC001176592664 1132963557 /nfs/dbraw/zinc/96/35/57/1132963557.db2.gz LSOFGJSVYXPWPV-QPJJXVBHSA-N -1 0 349.184 3.694 20 0 EHADRM COc1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)c(Br)n1 ZINC001176594068 1132963667 /nfs/dbraw/zinc/96/36/67/1132963667.db2.gz NQVUFHJHLYHSDH-RUDMXATFSA-N -1 0 349.184 3.694 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc3nnc(-c4ccc(F)cc4)n3c2)cc1 ZINC001176710886 1132995456 /nfs/dbraw/zinc/99/54/56/1132995456.db2.gz QRIPJTVXMZTWQR-UHFFFAOYSA-N -1 0 348.337 3.977 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)CCCC1CCCC1 ZINC000767567850 1133020739 /nfs/dbraw/zinc/02/07/39/1133020739.db2.gz DLWVOEHMXZGYJN-UHFFFAOYSA-N -1 0 343.876 3.814 20 0 EHADRM CC[C@H](C)[C@@H]([N-]S(=O)(=O)/C=C\c1ccc(C)cc1)C(F)(F)F ZINC000767603463 1133024500 /nfs/dbraw/zinc/02/45/00/1133024500.db2.gz HONPLUCBXRIWMV-AWQXJLDRSA-N -1 0 335.391 3.862 20 0 EHADRM O=C(Cc1nc(-c2ccc(F)cc2)cs1)[N-]Oc1ccccc1F ZINC001177109978 1133032251 /nfs/dbraw/zinc/03/22/51/1133032251.db2.gz YNRPQIGWGPUXLT-UHFFFAOYSA-N -1 0 346.358 3.741 20 0 EHADRM COc1ccc(F)cc1[N-]S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000768283320 1133120971 /nfs/dbraw/zinc/12/09/71/1133120971.db2.gz OQYWFMSQDKVVCS-HJWRWDBZSA-N -1 0 341.791 3.900 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)NC3CCC=CCC3)n2)c1 ZINC001178112688 1133132515 /nfs/dbraw/zinc/13/25/15/1133132515.db2.gz OCRFJLGZJLVRJD-UHFFFAOYSA-N -1 0 339.439 3.930 20 0 EHADRM Cc1cccnc1C1(C(=O)Nc2ccc3[n-]c(=S)sc3c2)CC1 ZINC001178205498 1133142601 /nfs/dbraw/zinc/14/26/01/1133142601.db2.gz VVECCTGQVGFBAS-UHFFFAOYSA-N -1 0 341.461 3.959 20 0 EHADRM CC(=O)c1cc(F)c([O-])c(NC(=O)[C@H]2Cc3ccc(C)cc3S2)c1 ZINC001178428951 1133168504 /nfs/dbraw/zinc/16/85/04/1133168504.db2.gz XRARUFOWQLHDMD-MRXNPFEDSA-N -1 0 345.395 3.698 20 0 EHADRM O=C([N-][C@@H]1CCc2c1c(F)ccc2F)C(F)(F)C(F)(F)Cl ZINC001179781913 1133279372 /nfs/dbraw/zinc/27/93/72/1133279372.db2.gz VRKSEQIWSLDSJT-MRVPVSSYSA-N -1 0 331.643 3.535 20 0 EHADRM Nc1ccccc1N(C(=O)C1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC001180437941 1133370208 /nfs/dbraw/zinc/37/02/08/1133370208.db2.gz HTCHTQMSKLCPAS-UHFFFAOYSA-N -1 0 338.407 3.969 20 0 EHADRM COc1ccc(F)cc1[C@H](C)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000746131509 1133487775 /nfs/dbraw/zinc/48/77/75/1133487775.db2.gz ZTVXQVPJGGOVGY-VIFPVBQESA-N -1 0 346.383 3.755 20 0 EHADRM CCOC(CC(=O)Nc1cc(Cl)c(C)c(Cl)c1[O-])OCC ZINC001181794044 1133528839 /nfs/dbraw/zinc/52/88/39/1133528839.db2.gz GHEOLNCQWDUHPU-UHFFFAOYSA-N -1 0 336.215 3.735 20 0 EHADRM COCCn1ccc2ccc(NC(=O)c3c([O-])cccc3Cl)cc21 ZINC000771342127 1133544027 /nfs/dbraw/zinc/54/40/27/1133544027.db2.gz XIWDLHIKDYNRLA-UHFFFAOYSA-N -1 0 344.798 3.899 20 0 EHADRM Cc1cc2c(cc1C)[C@@H](C(=O)Nc1ccc3[n-]c(=S)oc3c1)CO2 ZINC000771412635 1133547354 /nfs/dbraw/zinc/54/73/54/1133547354.db2.gz CZGKMHQNXJNYTI-ZDUSSCGKSA-N -1 0 340.404 3.848 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC(C)(C)C)c1Cl ZINC000774288473 1133657590 /nfs/dbraw/zinc/65/75/90/1133657590.db2.gz NVKFIULQWUNBGQ-NSHDSACASA-N -1 0 331.865 3.526 20 0 EHADRM COc1cc(CNC(=O)c2c([O-])cc(Cl)cc2Cl)ccc1C ZINC001182464600 1133682697 /nfs/dbraw/zinc/68/26/97/1133682697.db2.gz MUFLVSYYBDOIAC-UHFFFAOYSA-N -1 0 340.206 3.946 20 0 EHADRM CC(C)CO[N-]C(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 ZINC001183057653 1133764539 /nfs/dbraw/zinc/76/45/39/1133764539.db2.gz LDBQAUCJSWRNNT-LJQANCHMSA-N -1 0 337.423 3.698 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])s1 ZINC000785936636 1133786335 /nfs/dbraw/zinc/78/63/35/1133786335.db2.gz YBMNZYMQNUXKSF-NSHDSACASA-N -1 0 345.399 3.578 20 0 EHADRM CC[C@H]1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC001183610237 1133827693 /nfs/dbraw/zinc/82/76/93/1133827693.db2.gz GBJVIMPVJQLKOV-WCQYABFASA-N -1 0 345.468 3.570 20 0 EHADRM C[C@H]1CCCCN(C(=O)CCC(=O)C=C([O-])c2ccc(Cl)cc2)C1 ZINC001184117459 1133899955 /nfs/dbraw/zinc/89/99/55/1133899955.db2.gz YRUDRZNKHOLMTG-AWEZNQCLSA-N -1 0 349.858 3.911 20 0 EHADRM CCOC(=O)c1cnc(NC(=O)[C@@]23C[C@H]4C[C@@](C)(C2)C[C@](C)(C4)C3)[n-]1 ZINC001184494538 1133941615 /nfs/dbraw/zinc/94/16/15/1133941615.db2.gz HJMRNJMBEUOZTA-BWEKPBJLSA-N -1 0 345.443 3.522 20 0 EHADRM CC(C)(CNC(=O)c1c([O-])cc(Cl)cc1Cl)C1=CCOCC1 ZINC001184461225 1133943899 /nfs/dbraw/zinc/94/38/99/1133943899.db2.gz SSJNZQYMRJVZEQ-UHFFFAOYSA-N -1 0 344.238 3.802 20 0 EHADRM Cc1cc2cc(NS(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)ccc2o1 ZINC001184697482 1133976976 /nfs/dbraw/zinc/97/69/76/1133976976.db2.gz UPVWYYQWXQHLTD-UHFFFAOYSA-N -1 0 345.376 3.549 20 0 EHADRM O=C(NCCc1ccccc1)Nc1c(Cl)c(F)[n-]c(=O)c1Cl ZINC001184909664 1134004689 /nfs/dbraw/zinc/00/46/89/1134004689.db2.gz DGWXXLVBFMJKQP-UHFFFAOYSA-N -1 0 344.173 3.597 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3n[n-]c4ccccc4c3=O)C2)cc1 ZINC000787793686 1134042139 /nfs/dbraw/zinc/04/21/39/1134042139.db2.gz DBDQPJZNMXBOCC-GOEBONIOSA-N -1 0 347.418 3.662 20 0 EHADRM O=S(=O)([N-]c1cccc(F)c1N1CCCCC1)c1ccsc1 ZINC001185392010 1134078300 /nfs/dbraw/zinc/07/83/00/1134078300.db2.gz HBAAMPHERBYOLR-UHFFFAOYSA-N -1 0 340.445 3.678 20 0 EHADRM O=C(C=C([O-])c1ccccc1Cl)N[C@@H]1CCCc2cnccc21 ZINC001185443545 1134087341 /nfs/dbraw/zinc/08/73/41/1134087341.db2.gz AGJNTINVTXFTDL-MRXNPFEDSA-N -1 0 328.799 3.502 20 0 EHADRM O=S(=O)([N-]c1ccc2cc(F)ccc2c1)c1ccc(Cl)nc1 ZINC001185687683 1134120093 /nfs/dbraw/zinc/12/00/93/1134120093.db2.gz VJFDSWPCZSBDOO-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM Cc1cccc2cccc([N-]S(=O)(=O)c3ccc(Cl)nc3)c12 ZINC001185687202 1134120098 /nfs/dbraw/zinc/12/00/98/1134120098.db2.gz APYVNQAAXOAGNW-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1cc(NCC[C@@H]2CCc3ccc4c(c32)CCO4)cnc1C(=O)[O-] ZINC001170085305 1134125714 /nfs/dbraw/zinc/12/57/14/1134125714.db2.gz JDBZLJOBAFQTHA-AWEZNQCLSA-N -1 0 338.407 3.555 20 0 EHADRM CC(C)Sc1ccccc1[N-]S(=O)(=O)c1ccc2n[nH]cc2c1 ZINC001185991673 1134153974 /nfs/dbraw/zinc/15/39/74/1134153974.db2.gz WIUMRLZVPOIWMC-UHFFFAOYSA-N -1 0 347.465 3.864 20 0 EHADRM CC1(C)CC(=O)Nc2c(NC(=O)c3cccc([S-])c3)cccc21 ZINC001186157346 1134176876 /nfs/dbraw/zinc/17/68/76/1134176876.db2.gz YXHKJIXIMLLPFM-UHFFFAOYSA-N -1 0 326.421 3.847 20 0 EHADRM CC[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)C1CCCCC1 ZINC001186286070 1134193660 /nfs/dbraw/zinc/19/36/60/1134193660.db2.gz KDFZLCOZOBAPAN-CQSZACIVSA-N -1 0 335.391 3.741 20 0 EHADRM O=S(=O)([N-]c1nc2ccc(F)cc2o1)c1csc2ccccc21 ZINC001186441069 1134213745 /nfs/dbraw/zinc/21/37/45/1134213745.db2.gz GDKYSBRJYXIQRV-UHFFFAOYSA-N -1 0 348.380 3.982 20 0 EHADRM O=S(=O)([N-]c1cc(F)c(F)cc1O)c1csc2ccccc21 ZINC001186495523 1134222314 /nfs/dbraw/zinc/22/23/14/1134222314.db2.gz PUUFNAUMMFIOKO-UHFFFAOYSA-N -1 0 341.360 3.686 20 0 EHADRM O=c1[nH]oc2ccc([N-]S(=O)(=O)c3csc4ccccc43)cc12 ZINC001186497663 1134222452 /nfs/dbraw/zinc/22/24/52/1134222452.db2.gz CLUDIVCKXAIYJQ-UHFFFAOYSA-N -1 0 346.389 3.549 20 0 EHADRM O=S(=O)([N-]c1cc(F)cc(F)c1O)c1csc2ccccc21 ZINC001186508322 1134226629 /nfs/dbraw/zinc/22/66/29/1134226629.db2.gz BYSYJIKLCBQSDK-UHFFFAOYSA-N -1 0 341.360 3.686 20 0 EHADRM CCNc1ccnc(Cl)c1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC001186771461 1134255973 /nfs/dbraw/zinc/25/59/73/1134255973.db2.gz XPBORRBQWHXHLG-UHFFFAOYSA-N -1 0 345.708 3.542 20 0 EHADRM Cc1cc(NC(=O)c2cc(F)c(F)c([O-])c2F)c2ccsc2n1 ZINC001186770834 1134256029 /nfs/dbraw/zinc/25/60/29/1134256029.db2.gz MOCGLKLQJZLDFC-UHFFFAOYSA-N -1 0 338.310 3.980 20 0 EHADRM O=C(Nc1cccc2c1C(=O)CCC2)c1cc(F)c(F)c([O-])c1F ZINC001186778460 1134256500 /nfs/dbraw/zinc/25/65/00/1134256500.db2.gz ADPYHKMADSMTCE-UHFFFAOYSA-N -1 0 335.281 3.581 20 0 EHADRM O=C(Nc1ccccc1-c1cnco1)c1cc(F)c(F)c([O-])c1F ZINC001186780284 1134256833 /nfs/dbraw/zinc/25/68/33/1134256833.db2.gz QZXNSVPGGMIXSW-UHFFFAOYSA-N -1 0 334.253 3.717 20 0 EHADRM CC(C)(Cc1ccc(F)cc1)NC(=O)c1cc(F)c(F)c([O-])c1F ZINC001186787322 1134257997 /nfs/dbraw/zinc/25/79/97/1134257997.db2.gz DEJGHHQMISATII-UHFFFAOYSA-N -1 0 341.304 3.700 20 0 EHADRM COc1ccccc1-c1ccc([N-]S(=O)(=O)c2ccco2)cc1 ZINC001186856916 1134269797 /nfs/dbraw/zinc/26/97/97/1134269797.db2.gz CTIXKDUTQSTIBS-UHFFFAOYSA-N -1 0 329.377 3.756 20 0 EHADRM CC(C)c1cccnc1[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187188508 1134307071 /nfs/dbraw/zinc/30/70/71/1134307071.db2.gz DOANUFDYGYJYAX-UHFFFAOYSA-N -1 0 336.482 3.946 20 0 EHADRM Cc1cnc(C)c(Nc2cc(Cl)c(C)cc2S(=O)(=O)[O-])c1 ZINC001203663438 1134345807 /nfs/dbraw/zinc/34/58/07/1134345807.db2.gz KBVVEZMXSUUMGA-UHFFFAOYSA-N -1 0 326.805 3.651 20 0 EHADRM CC(C)Oc1cccc(CNc2cc3c(c(C(=O)[O-])c2)OCCO3)c1 ZINC000789902071 1134347503 /nfs/dbraw/zinc/34/75/03/1134347503.db2.gz JLWJDONZQNSTAZ-UHFFFAOYSA-N -1 0 343.379 3.555 20 0 EHADRM CC(C)(c1ccccc1)c1ccc([N-]S(=O)(=O)c2c[nH]cn2)cc1 ZINC001187762096 1134381946 /nfs/dbraw/zinc/38/19/46/1134381946.db2.gz HZIOQUBNAREMBI-UHFFFAOYSA-N -1 0 341.436 3.536 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)c(Cl)c(Cl)c1)c1nccs1 ZINC001187894189 1134393543 /nfs/dbraw/zinc/39/35/43/1134393543.db2.gz DUOYGZRNFSFPEC-UHFFFAOYSA-N -1 0 343.644 3.904 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2nccc3ccncc32)cc1 ZINC000790642489 1134450779 /nfs/dbraw/zinc/45/07/79/1134450779.db2.gz NZRVFTLINLXZGJ-CYBMUJFWSA-N -1 0 341.436 3.944 20 0 EHADRM CCc1cccc(CC)c1S(=O)(=O)[N-]c1nccc2ccncc21 ZINC000790644497 1134450786 /nfs/dbraw/zinc/45/07/86/1134450786.db2.gz QPIPXENEYLBSGZ-UHFFFAOYSA-N -1 0 341.436 3.555 20 0 EHADRM O=S(=O)(/C=C/c1ccc(Cl)cc1)[N-]c1nccc2ccncc21 ZINC000790644030 1134451061 /nfs/dbraw/zinc/45/10/61/1134451061.db2.gz MWDNQDUSLFCWSL-JXMROGBWSA-N -1 0 345.811 3.696 20 0 EHADRM COc1ccc(-c2ccccc2)c([N-]S(=O)(=O)c2ccoc2)c1 ZINC001188607471 1134481478 /nfs/dbraw/zinc/48/14/78/1134481478.db2.gz CUDKLQGVOLHLQF-UHFFFAOYSA-N -1 0 329.377 3.756 20 0 EHADRM O=C(c1ccc([O-])c(C(F)(F)F)c1)N1CCC[C@@H]1c1ccccn1 ZINC001188585674 1134484547 /nfs/dbraw/zinc/48/45/47/1134484547.db2.gz GIEURTFELMRPFD-CQSZACIVSA-N -1 0 336.313 3.783 20 0 EHADRM O=S(=O)([N-]c1cscn1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001188721347 1134501003 /nfs/dbraw/zinc/50/10/03/1134501003.db2.gz ZDEZQCSNXIHFNL-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM CC[C@](C)([N-]S(=O)(=O)/C=C/c1cccc(Cl)c1)C(F)(F)F ZINC000775210376 1134525268 /nfs/dbraw/zinc/52/52/68/1134525268.db2.gz USOVVEJQLDEQMA-GUOLPTJISA-N -1 0 341.782 3.961 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NS(=O)(=O)c1cc([O-])cc(F)c1 ZINC001189178718 1134549619 /nfs/dbraw/zinc/54/96/19/1134549619.db2.gz RZOOVSBEWFBVSK-LLVKDONJSA-N -1 0 349.383 3.625 20 0 EHADRM CC(=O)c1cccc(S(=O)(=O)Nc2c([S-])cccc2Cl)c1 ZINC001189239767 1134555690 /nfs/dbraw/zinc/55/56/90/1134555690.db2.gz RODWCMXXJOPUOZ-UHFFFAOYSA-N -1 0 341.841 3.632 20 0 EHADRM CC(C)(C)c1csc([N-]S(=O)(=O)Cc2ccc(F)c(F)c2)n1 ZINC001189263860 1134564250 /nfs/dbraw/zinc/56/42/50/1134564250.db2.gz GMKCWDAUFFWYAL-UHFFFAOYSA-N -1 0 346.424 3.661 20 0 EHADRM CCOCCO[N-]C(=O)C(C)(C)c1ccc(-c2ccccc2)cc1 ZINC000775234583 1134566057 /nfs/dbraw/zinc/56/60/57/1134566057.db2.gz MCHKHFKWVGQZIR-UHFFFAOYSA-N -1 0 327.424 3.716 20 0 EHADRM O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)c1cn[nH]n1 ZINC001189347989 1134575016 /nfs/dbraw/zinc/57/50/16/1134575016.db2.gz HROGDUBUFBOBNQ-UHFFFAOYSA-N -1 0 348.284 3.868 20 0 EHADRM CCCc1cc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)on1 ZINC001189357034 1134579657 /nfs/dbraw/zinc/57/96/57/1134579657.db2.gz QBEHTAUALJFKML-UHFFFAOYSA-N -1 0 334.372 3.720 20 0 EHADRM O=C(CSc1ccc(Cl)c(F)c1)[N-]OCc1ccccc1 ZINC001189677012 1134609557 /nfs/dbraw/zinc/60/95/57/1134609557.db2.gz VAZSYXDOXSIICQ-UHFFFAOYSA-N -1 0 325.792 3.819 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)C[C@@H](C)CC(C)(C)C)sc1C ZINC000775292997 1134616028 /nfs/dbraw/zinc/61/60/28/1134616028.db2.gz VNXQQLPZSDHSFJ-SNVBAGLBSA-N -1 0 331.503 3.632 20 0 EHADRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000775295843 1134616985 /nfs/dbraw/zinc/61/69/85/1134616985.db2.gz CVGKVBYBEOBYQG-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM Cc1ccnc2c([N-]S(=O)(=O)Cc3ccc(F)cc3F)cccc12 ZINC001189827018 1134631252 /nfs/dbraw/zinc/63/12/52/1134631252.db2.gz IJLZWGCUALNBDN-UHFFFAOYSA-N -1 0 348.374 3.763 20 0 EHADRM O=C(Nc1c(Cl)ccc([O-])c1Cl)c1ccc(-n2cccn2)nc1 ZINC001189968561 1134638020 /nfs/dbraw/zinc/63/80/20/1134638020.db2.gz XQMOTNMABJNQPC-UHFFFAOYSA-N -1 0 349.177 3.532 20 0 EHADRM Cc1cc(F)ccc1CS(=O)(=O)[N-]C(=O)C[C@@H](C)CC(C)(C)C ZINC000792065381 1134646803 /nfs/dbraw/zinc/64/68/03/1134646803.db2.gz TZAPCEXWFFBUCL-GFCCVEGCSA-N -1 0 343.464 3.543 20 0 EHADRM Cc1nc2ccc(C(=O)Nc3ccc4[n-]c(=S)oc4c3)cc2o1 ZINC000792228452 1134669912 /nfs/dbraw/zinc/66/99/12/1134669912.db2.gz CMOCICXMDXVBMX-UHFFFAOYSA-N -1 0 325.349 3.818 20 0 EHADRM CC[C@H](C)C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000772792642 1134683831 /nfs/dbraw/zinc/68/38/31/1134683831.db2.gz RLFUOCRMESOOID-IUCAKERBSA-N -1 0 338.256 3.547 20 0 EHADRM COc1cc(C)c([N-]S(=O)(=O)c2cc(F)cc(F)c2F)c(C)c1 ZINC001190391110 1134689334 /nfs/dbraw/zinc/68/93/34/1134689334.db2.gz PQMSNSKKAVEKEJ-UHFFFAOYSA-N -1 0 345.342 3.530 20 0 EHADRM Cc1cc(Nc2ccc(C(=O)[O-])cc2F)n(Cc2ccccc2F)n1 ZINC001203287549 1134691158 /nfs/dbraw/zinc/69/11/58/1134691158.db2.gz DSQUUVSSOLATCP-UHFFFAOYSA-N -1 0 343.333 3.960 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2nccnc2C(C)C)cc1 ZINC001191232926 1134832542 /nfs/dbraw/zinc/83/25/42/1134832542.db2.gz MCPRIROXLLSZQL-UHFFFAOYSA-N -1 0 333.457 3.743 20 0 EHADRM O=S(=O)(CC1CCCC1)[N-]c1ncccc1OCc1ccccc1 ZINC001191477497 1134869920 /nfs/dbraw/zinc/86/99/20/1134869920.db2.gz WKIIIDHTTAQHJK-UHFFFAOYSA-N -1 0 346.452 3.593 20 0 EHADRM O=C(Nc1c(Cl)ccc([O-])c1Cl)c1n[nH]cc1-c1ccccn1 ZINC001191493970 1134873770 /nfs/dbraw/zinc/87/37/70/1134873770.db2.gz LCLQVCXVUXNWKN-UHFFFAOYSA-N -1 0 349.177 3.736 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC001191779551 1134920467 /nfs/dbraw/zinc/92/04/67/1134920467.db2.gz FNZUJUHWZNZHKQ-UHFFFAOYSA-N -1 0 349.452 3.982 20 0 EHADRM CC(=O)c1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2F)cc1 ZINC001191857159 1134928385 /nfs/dbraw/zinc/92/83/85/1134928385.db2.gz XRNRKLUJRPJAOF-UHFFFAOYSA-N -1 0 341.791 3.624 20 0 EHADRM COc1ccc2cc(S(=O)(=O)[N-]c3cnc(C)cc3C)ccc2c1 ZINC001191940867 1134944181 /nfs/dbraw/zinc/94/41/81/1134944181.db2.gz UQZDBWGFMTVRKE-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM O=S(=O)([N-]c1ccccc1C(F)(F)F)C(Cl)(Cl)Cl ZINC001191997998 1134949562 /nfs/dbraw/zinc/94/95/62/1134949562.db2.gz ZKZXDOCISKOBII-UHFFFAOYSA-N -1 0 342.553 3.775 20 0 EHADRM Cc1cc(NC(=O)c2ccc(F)c(F)c2[O-])n(-c2ccccc2F)n1 ZINC001192797313 1135056331 /nfs/dbraw/zinc/05/63/31/1135056331.db2.gz PEYYRYSUHWOHGJ-UHFFFAOYSA-N -1 0 347.296 3.556 20 0 EHADRM O=C(Nc1ccc(-c2cccnc2)cc1)c1ccc(F)c(F)c1[O-] ZINC001192811686 1135057998 /nfs/dbraw/zinc/05/79/98/1135057998.db2.gz WHCNIRGXWRQKRB-UHFFFAOYSA-N -1 0 326.302 3.985 20 0 EHADRM N=C(NC(=O)c1ccc([O-])c(F)c1F)C12CC3CC(CC(C3)C1)C2 ZINC001192841540 1135063529 /nfs/dbraw/zinc/06/35/29/1135063529.db2.gz QJJLIDDBOJIRTC-UHFFFAOYSA-N -1 0 334.366 3.594 20 0 EHADRM O=C(N[C@@H](c1ccccc1)c1ccncc1)c1ccc([O-])c(F)c1F ZINC001192840881 1135064073 /nfs/dbraw/zinc/06/40/73/1135064073.db2.gz CXCICLLLCPXROW-SFHVURJKSA-N -1 0 340.329 3.585 20 0 EHADRM O=C(c1cc(F)c([O-])cc1F)N1CCC2(C=Cc3ccccc32)CC1 ZINC001192860143 1135067762 /nfs/dbraw/zinc/06/77/62/1135067762.db2.gz QDCQNGNNIZEQDC-UHFFFAOYSA-N -1 0 341.357 3.871 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccco2)cc1)c1cnccc1Cl ZINC001192890014 1135068581 /nfs/dbraw/zinc/06/85/81/1135068581.db2.gz JZVGIFPHLIHRJR-UHFFFAOYSA-N -1 0 334.784 3.796 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(F)c([O-])c1F)c1ccc(F)c(F)c1 ZINC001193800489 1135186599 /nfs/dbraw/zinc/18/65/99/1135186599.db2.gz MGISFIBNRCLEQT-CYBMUJFWSA-N -1 0 327.277 3.830 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ncc(Cl)cc2O)c2ccccc12 ZINC001193832607 1135190107 /nfs/dbraw/zinc/19/01/07/1135190107.db2.gz DCUKUICEJONRON-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nccc3cnccc32)c2ccccc12 ZINC001193834302 1135190809 /nfs/dbraw/zinc/19/08/09/1135190809.db2.gz XYQAYUAPNMWIPJ-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM C[C@@]1(C2CCCCC2)CCN1S(=O)(=O)c1cccc(Cl)c1[O-] ZINC001194036085 1135218613 /nfs/dbraw/zinc/21/86/13/1135218613.db2.gz MXAMUKYTIMLTIW-INIZCTEOSA-N -1 0 343.876 3.779 20 0 EHADRM Cc1cccnc1[N-]S(=O)(=O)c1ccc(-c2cccs2)cc1 ZINC001194131203 1135230054 /nfs/dbraw/zinc/23/00/54/1135230054.db2.gz OBYZYUYBQKJCEK-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM O=S(=O)([N-]c1cccc(F)n1)c1ccc(-c2cccs2)cc1 ZINC001194142195 1135239241 /nfs/dbraw/zinc/23/92/41/1135239241.db2.gz QFCKPKYIJKOOTF-UHFFFAOYSA-N -1 0 334.397 3.750 20 0 EHADRM Cc1ncc([N-]S(=O)(=O)c2ccc3c(Cl)cccc3c2)c(C)n1 ZINC001194226211 1135247167 /nfs/dbraw/zinc/24/71/67/1135247167.db2.gz WORNSCNWBXFXPF-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM CCCc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1 ZINC001194261759 1135252322 /nfs/dbraw/zinc/25/23/22/1135252322.db2.gz VKQZCKBMXRFUDO-UHFFFAOYSA-N -1 0 344.358 3.854 20 0 EHADRM CCC(=O)Nc1cccc(C(=O)Nc2cc(Cl)c([O-])cc2F)c1 ZINC000805256642 1135253859 /nfs/dbraw/zinc/25/38/59/1135253859.db2.gz RKVKOKFGASXLMW-UHFFFAOYSA-N -1 0 336.750 3.786 20 0 EHADRM COc1cc(C)c(NC(=O)c2n[n-]c3ccccc3c2=O)c(C)c1C ZINC000805291167 1135257155 /nfs/dbraw/zinc/25/71/55/1135257155.db2.gz APPWOZVUESJSAQ-UHFFFAOYSA-N -1 0 337.379 3.522 20 0 EHADRM C=Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1 ZINC001194295729 1135257599 /nfs/dbraw/zinc/25/75/99/1135257599.db2.gz VYWYMVJRFWMCHC-UHFFFAOYSA-N -1 0 328.315 3.544 20 0 EHADRM Cc1cc(=O)oc2cc(N(C)C(=O)c3cc(Cl)ccc3[O-])ccc12 ZINC000805351670 1135262850 /nfs/dbraw/zinc/26/28/50/1135262850.db2.gz MGYHFKVJFAPHPR-UHFFFAOYSA-N -1 0 343.766 3.737 20 0 EHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1cc(F)cc2cccnc21 ZINC001194642463 1135295286 /nfs/dbraw/zinc/29/52/86/1135295286.db2.gz FRJJPGZTJAIXIN-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM CC(C)(C)n1cc(C(=O)Nc2ccc3[n-]c(=S)sc3c2)cn1 ZINC001194801091 1135322265 /nfs/dbraw/zinc/32/22/65/1135322265.db2.gz AFSDOQKNAACELL-UHFFFAOYSA-N -1 0 332.454 3.789 20 0 EHADRM CC[C@H](C)c1ccc([N-]S(=O)(=O)c2cccc3nccnc32)cc1 ZINC001194933933 1135348330 /nfs/dbraw/zinc/34/83/30/1135348330.db2.gz WUJORCLPBRANII-ZDUSSCGKSA-N -1 0 341.436 3.944 20 0 EHADRM COc1ccc(-c2n[n-]sc2=NC(=O)Oc2ccc(F)cc2)cc1 ZINC001195005442 1135352925 /nfs/dbraw/zinc/35/29/25/1135352925.db2.gz RBVWLVQADXPKMU-UHFFFAOYSA-N -1 0 345.355 3.964 20 0 EHADRM C[Si](C)(C)CCS(=O)(=O)[N-][C@@H](c1ccccc1)C(F)(F)F ZINC001195082189 1135366233 /nfs/dbraw/zinc/36/62/33/1135366233.db2.gz CKVYQWRBCKMNSM-LBPRGKRZSA-N -1 0 339.455 3.548 20 0 EHADRM O=C(Nc1c(Cl)ccc([O-])c1Cl)c1ccc(Cl)[nH]c1=O ZINC001195134145 1135375315 /nfs/dbraw/zinc/37/53/15/1135375315.db2.gz NIKYSMATDVEYMZ-UHFFFAOYSA-N -1 0 333.558 3.705 20 0 EHADRM COc1cc(C)c(CN(C)C(=O)c2cccc(Cl)c2[O-])cc1OC ZINC000775642548 1135384874 /nfs/dbraw/zinc/38/48/74/1135384874.db2.gz IQEXIGOPFYCKLB-UHFFFAOYSA-N -1 0 349.814 3.643 20 0 EHADRM O=C(NCCc1cccc2cccnc21)c1cccc(Cl)c1[O-] ZINC000775645427 1135392132 /nfs/dbraw/zinc/39/21/32/1135392132.db2.gz LJTQORJIIWNJNF-UHFFFAOYSA-N -1 0 326.783 3.566 20 0 EHADRM CC(=O)Nc1ccc(C)c(C(=O)Nc2cc(Cl)c([O-])cc2F)c1 ZINC000805255756 1135418272 /nfs/dbraw/zinc/41/82/72/1135418272.db2.gz XRNJQHMHGXBZTF-UHFFFAOYSA-N -1 0 336.750 3.704 20 0 EHADRM CCOC(=O)NC(=S)Nc1c(F)cccc1OC1CCCCC1 ZINC001195493103 1135432894 /nfs/dbraw/zinc/43/28/94/1135432894.db2.gz UZDMTXAEMQFSCF-UHFFFAOYSA-N -1 0 340.420 3.980 20 0 EHADRM Cc1nn(CC(F)(F)F)c(C)c1C(=O)Nc1ccccc1[S-] ZINC001195582821 1135439252 /nfs/dbraw/zinc/43/92/52/1135439252.db2.gz GBUSJGUVVTVPNI-UHFFFAOYSA-N -1 0 329.347 3.603 20 0 EHADRM O=C(Nc1nnc(Cc2ccccc2)s1)c1cccc(Cl)c1[O-] ZINC000775669086 1135456709 /nfs/dbraw/zinc/45/67/09/1135456709.db2.gz RJKICDMGKIUFPE-UHFFFAOYSA-N -1 0 345.811 3.740 20 0 EHADRM CC(C)n1ncc2c1nc(/C=C/c1nc(Cl)cs1)cc2C(=O)[O-] ZINC000806561078 1135459639 /nfs/dbraw/zinc/45/96/39/1135459639.db2.gz UDCSXSYYFLELQZ-ONEGZZNKSA-N -1 0 348.815 3.991 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccnn2C2CCCC2)c1Cl ZINC000775671897 1135471404 /nfs/dbraw/zinc/47/14/04/1135471404.db2.gz KERQYHWLPBGPMW-UHFFFAOYSA-N -1 0 339.848 3.761 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc3scnc3c(C)c2)c(F)c1 ZINC001196386410 1135553368 /nfs/dbraw/zinc/55/33/68/1135553368.db2.gz AAFQBNANSGAZMN-UHFFFAOYSA-N -1 0 336.413 3.853 20 0 EHADRM O=C(c1cc(Cl)ncc1[O-])N1CCC[C@H](Cc2ccccc2)C1 ZINC001196394401 1135554484 /nfs/dbraw/zinc/55/44/84/1135554484.db2.gz ARNQRKAXTLJBCH-CQSZACIVSA-N -1 0 330.815 3.536 20 0 EHADRM Cc1nc2cc(NC(=O)c3cc(Cl)ncc3[O-])c(C)cc2s1 ZINC001196397179 1135555476 /nfs/dbraw/zinc/55/54/76/1135555476.db2.gz ZWNUDBOYJTXNAZ-UHFFFAOYSA-N -1 0 333.800 3.919 20 0 EHADRM Cc1ncnc(C)c1[N-]S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC001196417347 1135560795 /nfs/dbraw/zinc/56/07/95/1135560795.db2.gz VMTZHMKIFQAXFU-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM O=C(NCc1nccc2ccccc21)c1cc(Cl)c(F)cc1[O-] ZINC001196466887 1135563827 /nfs/dbraw/zinc/56/38/27/1135563827.db2.gz MQXDCUGFTUHNIH-UHFFFAOYSA-N -1 0 330.746 3.663 20 0 EHADRM Cc1c(NC(=O)c2cc(Cl)c(F)cc2[O-])ccc2c1OCCO2 ZINC001196466846 1135563857 /nfs/dbraw/zinc/56/38/57/1135563857.db2.gz KWFPZONHWMQVKU-UHFFFAOYSA-N -1 0 337.734 3.517 20 0 EHADRM CCNc1ccnc(Cl)c1NC(=O)c1cc(Cl)c(F)cc1[O-] ZINC001196459312 1135570253 /nfs/dbraw/zinc/57/02/53/1135570253.db2.gz NZWBOGPWSALOOD-UHFFFAOYSA-N -1 0 344.173 3.917 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2n[n-]c3ccccc3c2=O)C(C)C)c1 ZINC001170534094 1135573437 /nfs/dbraw/zinc/57/34/37/1135573437.db2.gz HBFRYNCUEYUZMG-KRWDZBQOSA-N -1 0 335.407 3.771 20 0 EHADRM O=C(Nc1nc(-c2ccccn2)cs1)c1cccc(Cl)c1[O-] ZINC000775727278 1135582910 /nfs/dbraw/zinc/58/29/10/1135582910.db2.gz PKMGZIDCHAJFFK-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM CN(Cc1ccccc1Cl)C(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197095095 1135644779 /nfs/dbraw/zinc/64/47/79/1135644779.db2.gz AUHWOPXCTZZEFG-UHFFFAOYSA-N -1 0 334.828 3.867 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC001197096927 1135645664 /nfs/dbraw/zinc/64/56/64/1135645664.db2.gz QEJSHZUCFIKKJM-CQSZACIVSA-N -1 0 344.411 3.710 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2nc(Cl)ccc2Cl)cc1 ZINC001197084024 1135648164 /nfs/dbraw/zinc/64/81/64/1135648164.db2.gz SEPJWXGKCOPHGU-UHFFFAOYSA-N -1 0 342.207 3.896 20 0 EHADRM CC(C)C[C@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)c1ccccn1 ZINC001197136379 1135648992 /nfs/dbraw/zinc/64/89/92/1135648992.db2.gz ABKYDFCZMFXTDT-INIZCTEOSA-N -1 0 343.452 3.854 20 0 EHADRM CCn1ncc2cc(NC(=S)Nc3ccc(C(=O)[O-])cc3)ccc21 ZINC001197116253 1135651406 /nfs/dbraw/zinc/65/14/06/1135651406.db2.gz SATBUVMWCFSWBD-UHFFFAOYSA-N -1 0 340.408 3.563 20 0 EHADRM Cc1nc2ccc(NC(=S)Nc3ccc(C(=O)[O-])cc3)cc2o1 ZINC001197113480 1135651541 /nfs/dbraw/zinc/65/15/41/1135651541.db2.gz SAAAQUCQNFEHOY-UHFFFAOYSA-N -1 0 327.365 3.643 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2cccc3c2CCCO3)cc1 ZINC001197122022 1135651883 /nfs/dbraw/zinc/65/18/83/1135651883.db2.gz VJQHQSPIUCRGQH-UHFFFAOYSA-N -1 0 328.393 3.519 20 0 EHADRM Cc1ncccc1[C@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)C1CC1 ZINC001197147801 1135654078 /nfs/dbraw/zinc/65/40/78/1135654078.db2.gz QOGPVKBCOMFRTI-MRXNPFEDSA-N -1 0 341.436 3.526 20 0 EHADRM O=S(=O)(Cc1ccccn1)[N-]c1ccccc1Oc1ccccc1 ZINC001197820534 1135743389 /nfs/dbraw/zinc/74/33/89/1135743389.db2.gz DLBIWXSQGBSRPH-UHFFFAOYSA-N -1 0 340.404 3.816 20 0 EHADRM O=S(=O)([N-]c1cc(C2CCCCC2)no1)c1cccc(Cl)n1 ZINC001198196716 1135787570 /nfs/dbraw/zinc/78/75/70/1135787570.db2.gz FGJJWZQKXDIBKZ-UHFFFAOYSA-N -1 0 341.820 3.572 20 0 EHADRM COc1cc(C)ccc1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000081669509 1135806978 /nfs/dbraw/zinc/80/69/78/1135806978.db2.gz JKDSRHKFKHFENQ-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM Cc1cccnc1[N-]S(=O)(=O)c1ccccc1Oc1ccccc1 ZINC001198432216 1135814123 /nfs/dbraw/zinc/81/41/23/1135814123.db2.gz IGLKUELHPOYXHC-UHFFFAOYSA-N -1 0 340.404 3.983 20 0 EHADRM CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198868693 1135864596 /nfs/dbraw/zinc/86/45/96/1135864596.db2.gz LRHMBGRDGXZMAC-UHFFFAOYSA-N -1 0 333.340 3.575 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cc3ccccc3cc2O)c(C)c1 ZINC001198941396 1135868331 /nfs/dbraw/zinc/86/83/31/1135868331.db2.gz BJNZSOBAZKXIFC-UHFFFAOYSA-N -1 0 343.404 3.663 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)sc2c1)c1cnoc1C(F)(F)F ZINC001199055340 1135876203 /nfs/dbraw/zinc/87/62/03/1135876203.db2.gz NRNMDWQIKXFOFS-UHFFFAOYSA-N -1 0 345.327 3.844 20 0 EHADRM O=C(Nc1c(Cl)ccc([O-])c1Cl)c1nccn1CC1CC1 ZINC001199453790 1135905223 /nfs/dbraw/zinc/90/52/23/1135905223.db2.gz PDFYYGBDBMJHAC-UHFFFAOYSA-N -1 0 326.183 3.558 20 0 EHADRM COc1cccc2cc(Nc3cc(F)c(C(=O)[O-])c(F)c3)cnc21 ZINC001203321767 1135905993 /nfs/dbraw/zinc/90/59/93/1135905993.db2.gz KZBNHKCDXKKROI-UHFFFAOYSA-N -1 0 330.290 3.963 20 0 EHADRM COCCSc1ccc([C@H](C)N=c2nc(C(C)(C)C)o[n-]2)cc1 ZINC000543694304 1135946915 /nfs/dbraw/zinc/94/69/15/1135946915.db2.gz SOZZZIMAVLXMCG-LBPRGKRZSA-N -1 0 335.473 3.701 20 0 EHADRM S=C(Nc1ccc([S-])cc1)Nc1ccc(-n2cccn2)cc1 ZINC001200884484 1135963874 /nfs/dbraw/zinc/96/38/74/1135963874.db2.gz VBYYXUHKZOCSRD-UHFFFAOYSA-N -1 0 326.450 3.970 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccnn2C2CCCCC2)c1 ZINC000747610915 1135976602 /nfs/dbraw/zinc/97/66/02/1135976602.db2.gz IILOEOYAQRHQOQ-UHFFFAOYSA-N -1 0 337.420 3.637 20 0 EHADRM COC[C@H](OC(=O)c1cc2cc(Cl)sc2[nH]1)C(F)(F)F ZINC000810637956 1135987916 /nfs/dbraw/zinc/98/79/16/1135987916.db2.gz JWMPVOYUVXRQPY-ZETCQYMHSA-N -1 0 327.711 3.617 20 0 EHADRM Cc1cccnc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1F ZINC001201244150 1135998880 /nfs/dbraw/zinc/99/88/80/1135998880.db2.gz BYTDKMHNOURHDM-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM O=S(=O)([N-]c1cnsc1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC001201347313 1136010624 /nfs/dbraw/zinc/01/06/24/1136010624.db2.gz JSGAPNRQALIAMC-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM CC(=O)c1ccncc1[N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC001201793176 1136062801 /nfs/dbraw/zinc/06/28/01/1136062801.db2.gz ZZGTTZVDMUGRRP-UHFFFAOYSA-N -1 0 346.452 3.627 20 0 EHADRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cnn3ccccc23)c(C)c1C ZINC001201794341 1136063574 /nfs/dbraw/zinc/06/35/74/1136063574.db2.gz CYVYDIUTGZXJRS-UHFFFAOYSA-N -1 0 343.452 3.677 20 0 EHADRM COc1cc(F)c(F)cc1[N-]S(=O)(=O)/C=C\c1ccccc1F ZINC000811712523 1136123937 /nfs/dbraw/zinc/12/39/37/1136123937.db2.gz BAEKAMNRVDEGNN-SREVYHEPSA-N -1 0 343.326 3.525 20 0 EHADRM C[C@H](CN(C)C(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccccc1 ZINC000811818792 1136144998 /nfs/dbraw/zinc/14/49/98/1136144998.db2.gz WLLNVBKXERESCA-GFCCVEGCSA-N -1 0 331.799 3.914 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)NCCC2Cc3ccccc3C2)c1 ZINC000811821907 1136145743 /nfs/dbraw/zinc/14/57/43/1136145743.db2.gz UXJCOROCWOBOME-UHFFFAOYSA-N -1 0 343.810 3.573 20 0 EHADRM Cc1cc(Cl)cnc1[N-]S(=O)(=O)c1cccc2c1CCCC2 ZINC000812331045 1136195423 /nfs/dbraw/zinc/19/54/23/1136195423.db2.gz FICPVHMZINQZRK-UHFFFAOYSA-N -1 0 336.844 3.723 20 0 EHADRM O=C([N-]OC/C=C/Cl)[C@@H](c1ccccc1)N1CCc2ccccc21 ZINC000812405764 1136209310 /nfs/dbraw/zinc/20/93/10/1136209310.db2.gz GUVIQVLJLGHDHL-NORHQAJESA-N -1 0 342.826 3.591 20 0 EHADRM CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)[N-]OCCC(F)(F)F ZINC000812544314 1136219541 /nfs/dbraw/zinc/21/95/41/1136219541.db2.gz PLJJJHGADQPKBD-LBPRGKRZSA-N -1 0 339.741 3.744 20 0 EHADRM CCC[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000813068011 1136284773 /nfs/dbraw/zinc/28/47/73/1136284773.db2.gz TUIGVGLXQXYJEO-SJLPKXTDSA-N -1 0 343.448 3.595 20 0 EHADRM CCc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c1 ZINC000109687053 1136328133 /nfs/dbraw/zinc/32/81/33/1136328133.db2.gz CYCDQTIETGWZFC-UHFFFAOYSA-N -1 0 331.224 3.752 20 0 EHADRM O=C(O[C@H]1C[C@H]([N-]C(=O)C(F)(F)F)c2ccccc21)C1CCCC1 ZINC000851175052 1136346291 /nfs/dbraw/zinc/34/62/91/1136346291.db2.gz DFELLLJTTSQDEH-KBPBESRZSA-N -1 0 341.329 3.584 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H](C)c1cccc(C)c1 ZINC000814016603 1136386821 /nfs/dbraw/zinc/38/68/21/1136386821.db2.gz NPVXXPFIYAAUQQ-YJBOKZPZSA-N -1 0 345.464 3.696 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cc(C)sc1C ZINC000814019422 1136386924 /nfs/dbraw/zinc/38/69/24/1136386924.db2.gz YQYGWHICXYKIQN-HNNXBMFYSA-N -1 0 337.466 3.576 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CC1(C)CCCCC1 ZINC000814020097 1136387247 /nfs/dbraw/zinc/38/72/47/1136387247.db2.gz IYVISUNFZPEZJD-INIZCTEOSA-N -1 0 337.485 3.944 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851593679 1136395061 /nfs/dbraw/zinc/39/50/61/1136395061.db2.gz AODYONLBBYJBBK-GAJOTYCWSA-N -1 0 341.407 3.864 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCN2C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851596992 1136395235 /nfs/dbraw/zinc/39/52/35/1136395235.db2.gz VVFXNPHFFSDPEI-TWGQIWQCSA-N -1 0 339.391 3.878 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[C@H](c2ccccc2)CC1 ZINC000851597392 1136395306 /nfs/dbraw/zinc/39/53/06/1136395306.db2.gz XPOCASAYFRVRRX-HNNXBMFYSA-N -1 0 327.380 3.696 20 0 EHADRM CCCc1occc1C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000828138735 1136434446 /nfs/dbraw/zinc/43/44/46/1136434446.db2.gz MRDOZFHEHCAOCC-AWEZNQCLSA-N -1 0 335.787 3.831 20 0 EHADRM C/C(=C\C(=O)N([C@H](C)C(=O)[O-])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000776618880 1136482352 /nfs/dbraw/zinc/48/23/52/1136482352.db2.gz FHMZLCGYQMRYMA-PBQZMEPESA-N -1 0 341.329 3.573 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]2c2ccccc2)C1 ZINC000852942905 1136493790 /nfs/dbraw/zinc/49/37/90/1136493790.db2.gz NZOXCWZLXZXDOT-JQHSSLGASA-N -1 0 329.440 3.674 20 0 EHADRM CC1(C)CN(C(=O)c2ccc3oc(=S)[n-]c3c2)[C@@H]1c1ccncc1 ZINC000852965494 1136494720 /nfs/dbraw/zinc/49/47/20/1136494720.db2.gz BGTNXQUVVHPGRO-OAHLLOKOSA-N -1 0 339.420 3.735 20 0 EHADRM CC[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1F)C(C)C ZINC000776653553 1136523644 /nfs/dbraw/zinc/52/36/44/1136523644.db2.gz HLGYJXZTTLOSNS-XHDPSFHLSA-N -1 0 327.371 3.669 20 0 EHADRM C[C@H](CC1CCCC1)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000776660365 1136528728 /nfs/dbraw/zinc/52/87/28/1136528728.db2.gz WCBHPNMVEUUQBR-BDJLRTHQSA-N -1 0 339.382 3.813 20 0 EHADRM C[C@@H]1c2ccsc2CCN1C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000854301184 1136605773 /nfs/dbraw/zinc/60/57/73/1136605773.db2.gz KGNYPEWHTMIZEA-SECBINFHSA-N -1 0 330.434 3.938 20 0 EHADRM C[C@H](CCCc1cccnc1)NC(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000854907644 1136652826 /nfs/dbraw/zinc/65/28/26/1136652826.db2.gz LPJGMIMYAKZZFP-GFCCVEGCSA-N -1 0 341.436 3.653 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)n1 ZINC001135308694 1136656512 /nfs/dbraw/zinc/65/65/12/1136656512.db2.gz JXLRVDWCTBKVHF-OSAQELSMSA-N -1 0 345.418 3.580 20 0 EHADRM Cc1ccc(C(=O)[N-]S(=O)(=O)[C@H](c2ccccc2)C(C)C)c(C)c1 ZINC000816110662 1136677657 /nfs/dbraw/zinc/67/76/57/1136677657.db2.gz FNQBMGUMWDSYIV-SFHVURJKSA-N -1 0 345.464 3.760 20 0 EHADRM CC[C@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)[C@H](c1ccccc1)C(C)C ZINC000816109855 1136677753 /nfs/dbraw/zinc/67/77/53/1136677753.db2.gz NOIHFQFEEWOSPL-DZKIICNBSA-N -1 0 325.474 3.512 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)/C=C\c1cccs1 ZINC000816113561 1136678160 /nfs/dbraw/zinc/67/81/60/1136678160.db2.gz WDYVRJXHGSCZKT-MQNTZWLQSA-N -1 0 349.477 3.605 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1ccccc1NC(=O)C1CC1 ZINC000816151504 1136679075 /nfs/dbraw/zinc/67/90/75/1136679075.db2.gz BTNFVQKWVBZMRM-UHFFFAOYSA-N -1 0 348.761 3.786 20 0 EHADRM C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)[N-]OCC1CC1 ZINC000817330911 1136798766 /nfs/dbraw/zinc/79/87/66/1136798766.db2.gz SKBTXQUJSIUSAP-SNVBAGLBSA-N -1 0 336.844 3.827 20 0 EHADRM O=C(COC(c1ccccc1)c1ccccc1)[N-]OCCC1CC1 ZINC000817408394 1136805797 /nfs/dbraw/zinc/80/57/97/1136805797.db2.gz UYSKITNOOXTQME-UHFFFAOYSA-N -1 0 325.408 3.641 20 0 EHADRM Cc1ccc(CNC(=O)c2cccc(Br)c2[O-])c(C)c1 ZINC001136181588 1136906249 /nfs/dbraw/zinc/90/62/49/1136906249.db2.gz RWQILENFZGNTHV-UHFFFAOYSA-N -1 0 334.213 3.702 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@]2(c3ccccc3)CCCO2)c1 ZINC000819978546 1136967999 /nfs/dbraw/zinc/96/79/99/1136967999.db2.gz VDSUUUJTRBENED-FQEVSTJZSA-N -1 0 339.391 3.629 20 0 EHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCC[C@H](C(F)(F)F)C1 ZINC000820319784 1136989180 /nfs/dbraw/zinc/98/91/80/1136989180.db2.gz NUFSEFKZTFMIOQ-VIFPVBQESA-N -1 0 330.331 3.531 20 0 EHADRM CN(Cc1ccccc1)c1ccccc1NC(=O)c1ncccc1[O-] ZINC001136403212 1137013697 /nfs/dbraw/zinc/01/36/97/1137013697.db2.gz GCVDDYLVGJCWOO-UHFFFAOYSA-N -1 0 333.391 3.676 20 0 EHADRM CCCCOc1ncccc1CNC(=O)c1ccc(Cl)c([O-])c1 ZINC001136412042 1137016468 /nfs/dbraw/zinc/01/64/68/1137016468.db2.gz KHWWUZSLDQWXDT-UHFFFAOYSA-N -1 0 334.803 3.550 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)/C=C/c1ccccc1Cl ZINC000013225238 1137058565 /nfs/dbraw/zinc/05/85/65/1137058565.db2.gz IRWBYDSVZOUDGZ-LDXRTFPQSA-N -1 0 333.815 3.598 20 0 EHADRM CC(C)CCOC1CCN(C(=O)c2ccc3oc(=S)[n-]c3c2)CC1 ZINC000822412217 1137058865 /nfs/dbraw/zinc/05/88/65/1137058865.db2.gz RZGQSHYHTHLYFA-UHFFFAOYSA-N -1 0 348.468 3.784 20 0 EHADRM O=C(CC(C1CCC1)C1CCC1)[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC000860448854 1137060734 /nfs/dbraw/zinc/06/07/34/1137060734.db2.gz MPXCGOFPAKRCHX-OUKQBFOZSA-N -1 0 347.480 3.710 20 0 EHADRM CCC[C@@H](C(=O)[N-]S(=O)(=O)C1CCCC1)c1cccc(Cl)c1 ZINC000860595585 1137068141 /nfs/dbraw/zinc/06/81/41/1137068141.db2.gz ZGKCESGWJIFSFZ-OAHLLOKOSA-N -1 0 343.876 3.612 20 0 EHADRM O=S(=O)([N-]c1ccsc1)c1ccc2nc(Cl)sc2c1 ZINC000772864089 1137077268 /nfs/dbraw/zinc/07/72/68/1137077268.db2.gz DJIPPERIIIRMAW-UHFFFAOYSA-N -1 0 330.843 3.812 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@@H](C)c1ccco1 ZINC000860789794 1137078426 /nfs/dbraw/zinc/07/84/26/1137078426.db2.gz KEVKMVRJICGDHV-KDOFPFPSSA-N -1 0 349.452 3.617 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)COc1ccccc1C(C)C ZINC000013432033 1137082118 /nfs/dbraw/zinc/08/21/18/1137082118.db2.gz NDHBGNAGUQFTIR-UHFFFAOYSA-N -1 0 327.380 3.834 20 0 EHADRM C[C@H]1CCc2c(C(=O)N3CCc4cc(C(=O)[O-])ccc43)csc2C1 ZINC000013448426 1137085778 /nfs/dbraw/zinc/08/57/78/1137085778.db2.gz KDFFVTAIATYCFE-NSHDSACASA-N -1 0 341.432 3.774 20 0 EHADRM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CC[C@H](c2cccnc2)C1 ZINC000823462346 1137100580 /nfs/dbraw/zinc/10/05/80/1137100580.db2.gz UIVOPQHQQUBSDU-NSHDSACASA-N -1 0 337.206 3.724 20 0 EHADRM O=C(c1cc(F)cc(F)c1[O-])N(CCc1ccc(F)cc1)C1CC1 ZINC001136744932 1137104995 /nfs/dbraw/zinc/10/49/95/1137104995.db2.gz GQPNWMQODDAVRE-UHFFFAOYSA-N -1 0 335.325 3.657 20 0 EHADRM CC(C)O[C@@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000823871175 1137117200 /nfs/dbraw/zinc/11/72/00/1137117200.db2.gz RBNUTIYQFRPJKQ-LLVKDONJSA-N -1 0 332.227 3.729 20 0 EHADRM CC[C@H](C(=O)[N-]OC/C=C\Cl)c1ccc(Br)cc1 ZINC000861782645 1137120788 /nfs/dbraw/zinc/12/07/88/1137120788.db2.gz GTRDXMYNTSKBLC-KJPDOOANSA-N -1 0 332.625 3.743 20 0 EHADRM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CCC2(CC2(F)F)CC1 ZINC000823969112 1137120828 /nfs/dbraw/zinc/12/08/28/1137120828.db2.gz HUQMBIVLSICVAC-UHFFFAOYSA-N -1 0 336.165 3.960 20 0 EHADRM CC[C@H](C)c1cccc(NC(=O)C(=O)[N-]OCc2ccc(F)cc2)c1 ZINC000861801452 1137121186 /nfs/dbraw/zinc/12/11/86/1137121186.db2.gz PXKMHZVLHKQBPD-ZDUSSCGKSA-N -1 0 344.386 3.526 20 0 EHADRM O=C(CN1c2ccccc2Sc2ccccc21)[N-]OC1CCC1 ZINC000861880874 1137123291 /nfs/dbraw/zinc/12/32/91/1137123291.db2.gz JSHWUOFUQCUTHF-UHFFFAOYSA-N -1 0 326.421 3.890 20 0 EHADRM O=C(N[C@H](c1ccccn1)C1CCC1)c1ccc2[n-]c(=S)oc2c1 ZINC000862744036 1137155607 /nfs/dbraw/zinc/15/56/07/1137155607.db2.gz AAFCLHAMJFYGBO-INIZCTEOSA-N -1 0 339.420 3.783 20 0 EHADRM CC1(C)CCC[C@@H]1[C@H]1CCN(C(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC000844035049 1137195013 /nfs/dbraw/zinc/19/50/13/1137195013.db2.gz VAKVFZAIOHDCGH-DZGCQCFKSA-N -1 0 339.439 3.624 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)/C=C\c2cc(C(=O)[O-])co2)c1 ZINC000864103386 1137215082 /nfs/dbraw/zinc/21/50/82/1137215082.db2.gz JIJQKUCKSQQJRI-ZPUOCTKUSA-N -1 0 325.364 3.663 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(N3CCCC3)c(F)c2)cc1C(=O)[O-] ZINC000864105674 1137215324 /nfs/dbraw/zinc/21/53/24/1137215324.db2.gz LPPQEERIEXAMGX-UHFFFAOYSA-N -1 0 342.370 3.685 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N(Cc2ccccc2)CC2CCC2)o1 ZINC000864106400 1137215361 /nfs/dbraw/zinc/21/53/61/1137215361.db2.gz LEGFTKRTWVTNOT-ZRDIBKRKSA-N -1 0 339.391 3.820 20 0 EHADRM O=C([O-])CCCCCCNC(=O)/C=C/c1csc(C(F)(F)F)c1 ZINC000864120859 1137216030 /nfs/dbraw/zinc/21/60/30/1137216030.db2.gz DPCXFRBMFMKPBW-VOTSOKGWSA-N -1 0 349.374 3.931 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)Cc1cc(Cl)cc2ccccc21 ZINC000864119236 1137216087 /nfs/dbraw/zinc/21/60/87/1137216087.db2.gz YFSVYZUVRZDUDS-SFHVURJKSA-N -1 0 333.815 3.795 20 0 EHADRM Cc1ccc(C(=O)N2CCC[C@@H]2CCc2ccccc2)cc1C(=O)[O-] ZINC000864125267 1137216301 /nfs/dbraw/zinc/21/63/01/1137216301.db2.gz QJWHDMFIORFQIV-GOSISDBHSA-N -1 0 337.419 3.931 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC000864155406 1137217406 /nfs/dbraw/zinc/21/74/06/1137217406.db2.gz QKHDBUUDZXUTIB-XLIONFOSSA-N -1 0 331.456 3.509 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)CCc1cccc2ccccc21 ZINC000864159293 1137217616 /nfs/dbraw/zinc/21/76/16/1137217616.db2.gz AVZYSDRDTNHRNI-MSOLQXFVSA-N -1 0 325.408 3.532 20 0 EHADRM CC(C)(CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21)c1ccc(F)cc1 ZINC000864174254 1137217802 /nfs/dbraw/zinc/21/78/02/1137217802.db2.gz DTAQJUKQBKUMJA-IXDOHACOSA-N -1 0 347.430 3.595 20 0 EHADRM CCc1ccc(N(CC2CC2)C(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000864188648 1137218508 /nfs/dbraw/zinc/21/85/08/1137218508.db2.gz JHDXFRKRFLTINY-UHFFFAOYSA-N -1 0 329.440 3.883 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)N[C@@](C)(CC(=O)[O-])C2CC2)cc1 ZINC000864204145 1137218793 /nfs/dbraw/zinc/21/87/93/1137218793.db2.gz RJWVNJKOGXYNTO-SGSXCFNPSA-N -1 0 329.440 3.973 20 0 EHADRM CC1(C)[C@H](c2ccccc2F)CCN1C(=O)C1CCC(C(=O)[O-])CC1 ZINC000864217000 1137219063 /nfs/dbraw/zinc/21/90/63/1137219063.db2.gz JSICLKZXIMCCJI-XUJLQICISA-N -1 0 347.430 3.811 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NCC1(c2cccc(Cl)c2)CCC1 ZINC000864216250 1137219131 /nfs/dbraw/zinc/21/91/31/1137219131.db2.gz MKGJTGZDCVFKIG-UHFFFAOYSA-N -1 0 337.847 3.769 20 0 EHADRM COc1cc(C)cc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)c1C ZINC000864227648 1137219408 /nfs/dbraw/zinc/21/94/08/1137219408.db2.gz HLAWOHMCKKRRBO-AWEZNQCLSA-N -1 0 339.391 3.531 20 0 EHADRM Cc1c(Cl)ccc2c1CN(C(=O)CC1CCC(C(=O)[O-])CC1)CC2 ZINC000864227906 1137219442 /nfs/dbraw/zinc/21/94/42/1137219442.db2.gz IFSQPFSXTFTIJF-UHFFFAOYSA-N -1 0 349.858 3.814 20 0 EHADRM C[C@H]1CC[C@@H](CCC(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)O1 ZINC000864225968 1137219448 /nfs/dbraw/zinc/21/94/48/1137219448.db2.gz UWNHMJDLGJXLQT-WFASDCNBSA-N -1 0 327.380 3.824 20 0 EHADRM Cc1nc(CNCc2ccccc2CC(F)(F)F)sc1C(=O)[O-] ZINC000864504237 1137230410 /nfs/dbraw/zinc/23/04/10/1137230410.db2.gz COAPOQYCIMVISO-UHFFFAOYSA-N -1 0 344.358 3.544 20 0 EHADRM Cc1cc(C)cc(C[C@@H](NCc2nc(C(C)(C)C)cs2)C(=O)[O-])c1 ZINC000864508314 1137230866 /nfs/dbraw/zinc/23/08/66/1137230866.db2.gz YHKXTYKWHJLGEH-OAHLLOKOSA-N -1 0 346.496 3.843 20 0 EHADRM CC(C)(C)c1csc(CN[C@H](C(=O)[O-])c2ccc(F)cc2F)n1 ZINC000864517736 1137231526 /nfs/dbraw/zinc/23/15/26/1137231526.db2.gz YKLSYZZJBPXZKH-AWEZNQCLSA-N -1 0 340.395 3.634 20 0 EHADRM Cc1ccc(C[C@@H](NCc2nc(C(C)(C)C)cs2)C(=O)[O-])cc1C ZINC000864516473 1137231582 /nfs/dbraw/zinc/23/15/82/1137231582.db2.gz NRVAWTNVWVZNKH-OAHLLOKOSA-N -1 0 346.496 3.843 20 0 EHADRM CC[C@@H](C)CCCCC(=O)N[C@@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1 ZINC001171140802 1137241063 /nfs/dbraw/zinc/24/10/63/1137241063.db2.gz WSLZXWMVIXYNNG-ZBFHGGJFSA-N -1 0 344.459 3.517 20 0 EHADRM CC[C@@H](C)CCCCC(=O)N[C@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1 ZINC001171140799 1137241151 /nfs/dbraw/zinc/24/11/51/1137241151.db2.gz WSLZXWMVIXYNNG-GDBMZVCRSA-N -1 0 344.459 3.517 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)Cc1c(Cl)n(-c2ccccc2)nc1C(C)C ZINC000844938735 1137264341 /nfs/dbraw/zinc/26/43/41/1137264341.db2.gz WUKRTGSQKBTAKO-HNNXBMFYSA-N -1 0 349.862 3.944 20 0 EHADRM CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)oc1ccccc12 ZINC000845826554 1137313105 /nfs/dbraw/zinc/31/31/05/1137313105.db2.gz VSYXWIWAZORMAY-UHFFFAOYSA-N -1 0 345.420 3.827 20 0 EHADRM CC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)oc1ccccc12 ZINC000845828225 1137313312 /nfs/dbraw/zinc/31/33/12/1137313312.db2.gz PEOYWYKXGUVLEB-GFCCVEGCSA-N -1 0 345.420 3.827 20 0 EHADRM Cc1ncc(S(=O)(=O)[N-]c2cccc(Cl)c2OC(C)C)s1 ZINC000339074128 1137324034 /nfs/dbraw/zinc/32/40/34/1137324034.db2.gz NUVJZKVYVVLGCQ-UHFFFAOYSA-N -1 0 346.861 3.693 20 0 EHADRM O=C(NCCCc1c[nH]c2ccccc12)c1ccc(Cl)c([O-])c1 ZINC001144686645 1137330263 /nfs/dbraw/zinc/33/02/63/1137330263.db2.gz UJHPNJMBWGCBBS-UHFFFAOYSA-N -1 0 328.799 3.890 20 0 EHADRM CC(C)(C)c1csc(CO[N-]C(=O)C(C)(C)c2ccccc2)n1 ZINC000120924149 1137332563 /nfs/dbraw/zinc/33/25/63/1137332563.db2.gz JZCOAWAMNVYXRJ-UHFFFAOYSA-N -1 0 332.469 3.966 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1C[C@@H]1C1CCCC1)c1cccc(Cl)c1 ZINC000846117442 1137333952 /nfs/dbraw/zinc/33/39/52/1137333952.db2.gz PYTCCOLOCSKWJY-OAGGEKHMSA-N -1 0 335.831 3.798 20 0 EHADRM Cc1nc([C@H](C)NC(=O)/C=C\C2CCCCCC2)sc1C(=O)[O-] ZINC000846117328 1137334182 /nfs/dbraw/zinc/33/41/82/1137334182.db2.gz CGFGVFUZWCJOGH-PRDAAYKISA-N -1 0 336.457 3.854 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCS[C@H](c2ccccc2)C1 ZINC001145094784 1137385813 /nfs/dbraw/zinc/38/58/13/1137385813.db2.gz OUVHKSLFFRNXMW-INIZCTEOSA-N -1 0 333.840 3.976 20 0 EHADRM Cc1ccccc1C[C@@H]1CCCN1C(=O)c1cc(F)cc(F)c1[O-] ZINC001147074176 1137399757 /nfs/dbraw/zinc/39/97/57/1137399757.db2.gz NHTPQTDQUQWHQJ-HNNXBMFYSA-N -1 0 331.362 3.826 20 0 EHADRM Cc1c(F)cccc1NC(=O)c1cc(Br)cc(F)c1[O-] ZINC001147888690 1137413899 /nfs/dbraw/zinc/41/38/99/1137413899.db2.gz TXTMLKOCRLJCJC-UHFFFAOYSA-N -1 0 342.139 3.994 20 0 EHADRM CCOCc1ccc(NC(=O)c2ccc3oc(=S)[n-]c3c2)cc1 ZINC001148113326 1137417873 /nfs/dbraw/zinc/41/78/73/1137417873.db2.gz NFCBQHQDUICWLQ-UHFFFAOYSA-N -1 0 328.393 3.905 20 0 EHADRM C[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(C(F)(F)F)c(O)c1 ZINC001148514810 1137426412 /nfs/dbraw/zinc/42/64/12/1137426412.db2.gz SRWJGRGVWIHROK-LLVKDONJSA-N -1 0 335.325 3.998 20 0 EHADRM CC(C)C[C@@H]1CCN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])C1 ZINC001148547068 1137427501 /nfs/dbraw/zinc/42/75/01/1137427501.db2.gz FZENKFCOXGGUCF-AWEZNQCLSA-N -1 0 341.407 3.973 20 0 EHADRM CCc1oc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000339086596 1137434095 /nfs/dbraw/zinc/43/40/95/1137434095.db2.gz BWVZKBMHEJXHQF-UHFFFAOYSA-N -1 0 327.258 3.811 20 0 EHADRM CON(Cc1ccc(Cl)cc1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000795064516 1137443529 /nfs/dbraw/zinc/44/35/29/1137443529.db2.gz IARRQASAKIOAHD-UHFFFAOYSA-N -1 0 345.704 3.667 20 0 EHADRM CC(=CC(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)ccc1C)c1ccccc1 ZINC000773315446 1137489502 /nfs/dbraw/zinc/48/95/02/1137489502.db2.gz JVRGRVPHKXOISO-JLHYYAGUSA-N -1 0 334.379 3.528 20 0 EHADRM O=C(NCC1([C@H]2CCCCO2)CCC1)c1ccc2[n-]c(=S)oc2c1 ZINC000871040999 1137519438 /nfs/dbraw/zinc/51/94/38/1137519438.db2.gz IDTFTBQCRCYWAV-OAHLLOKOSA-N -1 0 346.452 3.586 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC[C@@H](OC2CCC2)CC1 ZINC000871327919 1137536751 /nfs/dbraw/zinc/53/67/51/1137536751.db2.gz BYUMHCCWLXTOPC-CYBMUJFWSA-N -1 0 341.810 3.749 20 0 EHADRM C/C(=C/C(=O)Nc1nccc(Br)c1[O-])c1cccs1 ZINC001150032076 1137555796 /nfs/dbraw/zinc/55/57/96/1137555796.db2.gz KSBBLWHCHDLWOY-FPLPWBNLSA-N -1 0 339.214 3.653 20 0 EHADRM COc1ccc(CN[C@@H](CC(=O)[O-])c2ccccc2Cl)c(OC)c1 ZINC000871883032 1137562450 /nfs/dbraw/zinc/56/24/50/1137562450.db2.gz ADLYBRGNZDTZDP-INIZCTEOSA-N -1 0 349.814 3.663 20 0 EHADRM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(C(F)F)o2)cc1 ZINC000872002277 1137564268 /nfs/dbraw/zinc/56/42/68/1137564268.db2.gz JCXQHBWKFSDAOG-UHFFFAOYSA-N -1 0 344.383 3.864 20 0 EHADRM Cc1c([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)noc1C(C)(C)C ZINC000872007682 1137564404 /nfs/dbraw/zinc/56/44/04/1137564404.db2.gz XUZVHZXQPDNTLL-MDZDMXLPSA-N -1 0 338.404 3.832 20 0 EHADRM O=S(=O)([N-]c1cnccc1C(F)(F)F)c1ccc(C2CC2)cc1 ZINC000872010658 1137564460 /nfs/dbraw/zinc/56/44/60/1137564460.db2.gz BNCQMIMJYIBJHW-UHFFFAOYSA-N -1 0 342.342 3.779 20 0 EHADRM Cc1ccc(CN2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1C(=O)[O-] ZINC000872159256 1137574596 /nfs/dbraw/zinc/57/45/96/1137574596.db2.gz RCLGJCLFZKAYMO-AUUYWEPGSA-N -1 0 343.398 3.794 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1sccc1C(F)F ZINC000872695635 1137582872 /nfs/dbraw/zinc/58/28/72/1137582872.db2.gz IKWWESZLHHHBAC-GDPRMGEGSA-N -1 0 329.368 3.544 20 0 EHADRM Cc1nc(-c2ccc(C)cc2)sc1C(=O)N(CCC(=O)[O-])C(C)C ZINC000872711617 1137582996 /nfs/dbraw/zinc/58/29/96/1137582996.db2.gz KNFQULOKHLJPTF-UHFFFAOYSA-N -1 0 346.452 3.752 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)c1cc3c(cccc3C3CC3)[nH]1)CC2 ZINC000872764794 1137584016 /nfs/dbraw/zinc/58/40/16/1137584016.db2.gz GVAZVJMHOUSQKP-XLIONFOSSA-N -1 0 338.407 3.515 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000872766171 1137584031 /nfs/dbraw/zinc/58/40/31/1137584031.db2.gz URBKVDXEQNPHPL-OXFYSEKESA-N -1 0 329.440 3.501 20 0 EHADRM CC(C)[C@H](NC(=O)C(C)(C)SCC(=O)[O-])c1ccccc1Cl ZINC000872845936 1137585454 /nfs/dbraw/zinc/58/54/54/1137585454.db2.gz QDBCGDIZAAKFKJ-AWEZNQCLSA-N -1 0 343.876 3.750 20 0 EHADRM Cc1ccc(-c2cccnc2)cc1NC(=O)C(C)(C)SCC(=O)[O-] ZINC000872862021 1137585745 /nfs/dbraw/zinc/58/57/45/1137585745.db2.gz CMBGJSQYAMQUMY-UHFFFAOYSA-N -1 0 344.436 3.592 20 0 EHADRM Cc1ccc(C)c(C(=O)NCC[C@@]2(C)CC2(Cl)Cl)c1C(=O)[O-] ZINC000872871836 1137585854 /nfs/dbraw/zinc/58/58/54/1137585854.db2.gz ITTQXINKONNKJW-HNNXBMFYSA-N -1 0 344.238 3.705 20 0 EHADRM CCC(CC)[C@@H](NC(=O)C(C)(C)SCC(=O)[O-])c1cccs1 ZINC000872909266 1137586390 /nfs/dbraw/zinc/58/63/90/1137586390.db2.gz IPQQNPIKMMEHPV-CQSZACIVSA-N -1 0 343.514 3.938 20 0 EHADRM CC(C)C[C@](C)(CC(=O)[O-])C(=O)N[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000872998797 1137587743 /nfs/dbraw/zinc/58/77/43/1137587743.db2.gz MSUKSDMWNDQBJR-LALPHHSUSA-N -1 0 335.366 3.527 20 0 EHADRM Cc1sc(N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)nc1-c1ccc(F)cc1 ZINC000873061134 1137589280 /nfs/dbraw/zinc/58/92/80/1137589280.db2.gz HMLOTDLDYGUDNJ-IINYFYTJSA-N -1 0 334.416 3.805 20 0 EHADRM C[C@H](CC(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1F)c1ccccc1 ZINC000873567691 1137602603 /nfs/dbraw/zinc/60/26/03/1137602603.db2.gz UCTQQHOOFCODJA-KGLIPLIRSA-N -1 0 349.427 3.527 20 0 EHADRM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CCC(c2ccon2)CC1 ZINC000825712591 1137610548 /nfs/dbraw/zinc/61/05/48/1137610548.db2.gz MKKNUPPLTHEJAY-UHFFFAOYSA-N -1 0 341.194 3.707 20 0 EHADRM C[C@]1(C(F)(F)F)CCN(C(=O)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000874473362 1137614750 /nfs/dbraw/zinc/61/47/50/1137614750.db2.gz CZFZEWODVZQSSZ-LBPRGKRZSA-N -1 0 341.251 3.826 20 0 EHADRM O=Cc1cc(-c2cccc(OC(F)(F)F)c2)ccc1OCC(=O)[O-] ZINC000874969305 1137627195 /nfs/dbraw/zinc/62/71/95/1137627195.db2.gz MOKBWMKDRIDHPT-UHFFFAOYSA-N -1 0 340.253 3.528 20 0 EHADRM O=Cc1cc(-c2ccc(C(F)(F)F)s2)ccc1OCC(=O)[O-] ZINC000874969728 1137627222 /nfs/dbraw/zinc/62/72/22/1137627222.db2.gz UDFUAIUHHCYXRN-UHFFFAOYSA-N -1 0 330.283 3.710 20 0 EHADRM O=Cc1cc(-c2ccccc2[C@@H](O)CC(=O)[O-])cc(C(F)(F)F)c1 ZINC000874970092 1137627228 /nfs/dbraw/zinc/62/72/28/1137627228.db2.gz LCQKPGPPULNXLZ-HNNXBMFYSA-N -1 0 338.281 3.693 20 0 EHADRM O=Cc1ccc(-c2ccc(-n3ccnc3SCC(=O)[O-])cc2)cc1 ZINC000874972936 1137627383 /nfs/dbraw/zinc/62/73/83/1137627383.db2.gz RQJXMGMNIVJGSK-UHFFFAOYSA-N -1 0 338.388 3.529 20 0 EHADRM Cc1cc([C@@H](C)NCc2nnc(-c3ccccc3O)o2)c(C)s1 ZINC000878350901 1137711970 /nfs/dbraw/zinc/71/19/70/1137711970.db2.gz NQCMJZODVLWKGW-LLVKDONJSA-N -1 0 329.425 3.971 20 0 EHADRM CC(C)CN(Cc1nc2c(c(=O)[nH]1)COCC2)c1cccc(Cl)c1 ZINC000878688640 1137725129 /nfs/dbraw/zinc/72/51/29/1137725129.db2.gz NIQXMPYPBLAJLK-UHFFFAOYSA-N -1 0 347.846 3.571 20 0 EHADRM O=C([N-]OCc1ccc(F)cc1)C1(c2cccnc2)CC2(CCC2)C1 ZINC000879470774 1137748666 /nfs/dbraw/zinc/74/86/66/1137748666.db2.gz QOVNFVIDGDIFGT-UHFFFAOYSA-N -1 0 340.398 3.671 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ncsc2C2CC2)c1Cl ZINC000882771961 1137833920 /nfs/dbraw/zinc/83/39/20/1137833920.db2.gz AQYQXQSZYXMDJQ-UHFFFAOYSA-N -1 0 328.846 3.783 20 0 EHADRM Cc1ccc2c(cccc2Nc2nc[n-]c(=O)c2Br)n1 ZINC001212795902 1137866135 /nfs/dbraw/zinc/86/61/35/1137866135.db2.gz IFNOSZGFXHAMFS-UHFFFAOYSA-N -1 0 331.173 3.545 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)N2CCc3ccccc3C2)cc1 ZINC000108067623 1137888576 /nfs/dbraw/zinc/88/85/76/1137888576.db2.gz RYKIYHRXDAWQGR-DEOSSOPVSA-N -1 0 341.476 3.503 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N[C@@H](CC)c2ccc(OC)cc2)s1 ZINC000348291839 1137904864 /nfs/dbraw/zinc/90/48/64/1137904864.db2.gz JCQPXZFIZXQAMN-AWEZNQCLSA-N -1 0 348.472 3.584 20 0 EHADRM CC(C)n1ccnc1CSc1n[n-]c(=NC2CCCCC2)s1 ZINC000331441397 1137908521 /nfs/dbraw/zinc/90/85/21/1137908521.db2.gz NJEOBCKVLLJIHF-UHFFFAOYSA-N -1 0 337.518 3.774 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2C[C@@H](C)C[C@H]2c2ccccc2F)s1 ZINC000331469961 1137909640 /nfs/dbraw/zinc/90/96/40/1137909640.db2.gz CNTFXLSQQXEZNT-FZMZJTMJSA-N -1 0 348.447 3.667 20 0 EHADRM Cc1cccc(NC(=O)Nc2ncc(Br)cc2[O-])c1C ZINC001202690097 1137927281 /nfs/dbraw/zinc/92/72/81/1137927281.db2.gz ANINYJBMRYQODI-UHFFFAOYSA-N -1 0 336.189 3.811 20 0 EHADRM CC(C)(C)[C@@H]1CCCN1C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000332107641 1137931836 /nfs/dbraw/zinc/93/18/36/1137931836.db2.gz IGBUUIGRIXWLGE-HNNXBMFYSA-N -1 0 347.846 3.882 20 0 EHADRM CC[C@H](c1ccncc1)N(CC)C(=O)c1s[n-]c(=O)c1Cl ZINC000282953985 1138062388 /nfs/dbraw/zinc/06/23/88/1138062388.db2.gz FEORDGBBKKGZIF-SNVBAGLBSA-N -1 0 325.821 3.511 20 0 EHADRM Cn1cccc1[C@H]1CCCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000072832000 1138108271 /nfs/dbraw/zinc/10/82/71/1138108271.db2.gz LQSQGAVVWXJYBX-CQSZACIVSA-N -1 0 327.409 3.806 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])ccc1-c1ccncc1 ZINC000887294484 1138257524 /nfs/dbraw/zinc/25/75/24/1138257524.db2.gz BDVIJFFBBNJVRL-OHQAAIJDSA-N -1 0 348.402 3.518 20 0 EHADRM CCc1cc(=O)n(-c2cccc(OC(F)F)c2Br)[n-]1 ZINC000887295027 1138257949 /nfs/dbraw/zinc/25/79/49/1138257949.db2.gz UNSRYYDWFPUZCO-UHFFFAOYSA-N -1 0 333.132 3.553 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC000887315805 1138263045 /nfs/dbraw/zinc/26/30/45/1138263045.db2.gz BRYHXWRQXHBBAH-JHJVBQTASA-N -1 0 345.292 3.865 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCC[C@H]1c1ccc(F)cc1 ZINC000348414084 1138273590 /nfs/dbraw/zinc/27/35/90/1138273590.db2.gz UVPGFDHHKIWASH-ZDUSSCGKSA-N -1 0 339.288 3.926 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC000887382821 1138294303 /nfs/dbraw/zinc/29/43/03/1138294303.db2.gz SVWLHCNSTVVRLZ-GFCCVEGCSA-N -1 0 336.285 3.588 20 0 EHADRM CCCOc1ccc(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1C(C)C ZINC000887394639 1138302948 /nfs/dbraw/zinc/30/29/48/1138302948.db2.gz XRSTVMSHESRTLC-CQSZACIVSA-N -1 0 348.443 3.927 20 0 EHADRM Cc1ncc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)s1 ZINC000337159489 1138482173 /nfs/dbraw/zinc/48/21/73/1138482173.db2.gz RVJJZCMMTNMCKV-UHFFFAOYSA-N -1 0 341.216 3.698 20 0 EHADRM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1ccc(C)c(O)c1 ZINC000348450629 1138582240 /nfs/dbraw/zinc/58/22/40/1138582240.db2.gz PKBWIPSXXUPYRH-UHFFFAOYSA-N -1 0 335.356 3.695 20 0 EHADRM Cc1ccnc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)c1 ZINC000337785888 1138667357 /nfs/dbraw/zinc/66/73/57/1138667357.db2.gz XAGCLPKECQQDGB-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM Cc1cc2cccnc2c([N-]S(=O)(=O)c2cnc3ccccc3c2)c1 ZINC000337881512 1138689783 /nfs/dbraw/zinc/68/97/83/1138689783.db2.gz YNDVFHFGSYUMHT-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@H](C)c2ccc(-c3ccncc3)cc2)s[n-]1 ZINC000337886330 1138691209 /nfs/dbraw/zinc/69/12/09/1138691209.db2.gz YCXIEMYOLGZIQG-OLZOCXBDSA-N -1 0 340.452 3.903 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@H](C)c2nc(-c3ccccc3)cs2)s[n-]1 ZINC000337911211 1138696913 /nfs/dbraw/zinc/69/69/13/1138696913.db2.gz IZXNOUAZPBZWHZ-MNOVXSKESA-N -1 0 346.481 3.964 20 0 EHADRM CC(C)(CNC(=O)c1s[n-]c(=O)c1Cl)c1cccc(Cl)c1 ZINC000283027341 1138889133 /nfs/dbraw/zinc/88/91/33/1138889133.db2.gz MLCMIORCSCVJTH-UHFFFAOYSA-N -1 0 345.251 3.863 20 0 EHADRM CN(Cc1ccc(Cl)cc1)C(=O)CSc1n[n-]c(=S)s1 ZINC000174891508 1139449318 /nfs/dbraw/zinc/44/93/18/1139449318.db2.gz KVHCIZIOHGJBRR-UHFFFAOYSA-N -1 0 345.902 3.605 20 0 EHADRM CCc1c([N-]S(=O)(=O)c2ccsc2)cnn1C(CC)CC ZINC000350831593 1139480272 /nfs/dbraw/zinc/48/02/72/1139480272.db2.gz MPYVNPMMQRCRON-UHFFFAOYSA-N -1 0 327.475 3.669 20 0 EHADRM Cc1ccc(C)c([C@H]2CCCN2C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000180129451 1139811456 /nfs/dbraw/zinc/81/14/56/1139811456.db2.gz UGTPVOQDGBCJAK-XYJFISCASA-N -1 0 329.440 3.858 20 0 EHADRM COc1cccc(/C(C)=C/C(=O)NCC2(CC(=O)[O-])CCCCC2)c1 ZINC000777380888 1139948452 /nfs/dbraw/zinc/94/84/52/1139948452.db2.gz PDUSJKQYCVZTRV-RVDMUPIBSA-N -1 0 345.439 3.640 20 0 EHADRM O=C([N-]c1ncn(C2CCCCC2)n1)c1c(F)c(F)cc(F)c1F ZINC000182720819 1139988057 /nfs/dbraw/zinc/98/80/57/1139988057.db2.gz GDWXJAGXCQLSDC-UHFFFAOYSA-N -1 0 342.296 3.592 20 0 EHADRM C[C@H](CNC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)CC(=O)[O-] ZINC000777396806 1140048601 /nfs/dbraw/zinc/04/86/01/1140048601.db2.gz RFMYLWZSEIVXMG-XBUHWIKASA-N -1 0 347.411 3.655 20 0 EHADRM CC(C)(C(=O)[O-])n1cc(NC(=O)CCCCCc2cccs2)cn1 ZINC000193014909 1140559626 /nfs/dbraw/zinc/55/96/26/1140559626.db2.gz SJTXZYIDIIDCFJ-UHFFFAOYSA-N -1 0 349.456 3.506 20 0 EHADRM O=C([O-])C1CCC(C(=O)NCC2(c3ccc(F)cc3)CCCC2)CC1 ZINC000194396121 1140607880 /nfs/dbraw/zinc/60/78/80/1140607880.db2.gz SSBYUDWDMNATAX-UHFFFAOYSA-N -1 0 347.430 3.645 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2ccccc2CC(F)(F)F)CC1 ZINC000194422303 1140608917 /nfs/dbraw/zinc/60/89/17/1140608917.db2.gz LXEPJORVPFVTFG-UHFFFAOYSA-N -1 0 329.318 3.621 20 0 EHADRM C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000194561243 1140614481 /nfs/dbraw/zinc/61/44/81/1140614481.db2.gz CGFJJVVNEIUDRV-MEDUHNTESA-N -1 0 349.789 3.787 20 0 EHADRM CC1=CCN(C(=O)c2cc(Cl)cc(Br)c2[O-])CC1 ZINC000270280124 1141201269 /nfs/dbraw/zinc/20/12/69/1141201269.db2.gz WNECTKDSALASQT-UHFFFAOYSA-N -1 0 330.609 3.600 20 0 EHADRM C[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1c(F)cccc1F ZINC000348641065 1141560179 /nfs/dbraw/zinc/56/01/79/1141560179.db2.gz IWNGMIOWXXJGND-LURJTMIESA-N -1 0 331.240 3.579 20 0 EHADRM Cc1cc(Cl)cc(C)c1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[nH]1 ZINC000349105695 1141639360 /nfs/dbraw/zinc/63/93/60/1141639360.db2.gz HBMMELYBBQVJCB-SNAWJCMRSA-N -1 0 332.787 3.558 20 0 EHADRM Cn1c2ccc(NC(=O)c3s[n-]c(=O)c3Cl)cc2nc1C1CC1 ZINC000283507835 1141642062 /nfs/dbraw/zinc/64/20/62/1141642062.db2.gz RQXWICUXNJBCPF-UHFFFAOYSA-N -1 0 348.815 3.519 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc(Cl)nc(Cl)c2)ccc1Cl ZINC000037985490 202078886 /nfs/dbraw/zinc/07/88/86/202078886.db2.gz OWPOELRTWAKVHY-UHFFFAOYSA-N -1 0 345.569 3.992 20 0 EHADRM COc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C)cc1Cl ZINC000071977822 203156271 /nfs/dbraw/zinc/15/62/71/203156271.db2.gz SYJHVPZIVWTXRR-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)c1ccccc1Br ZINC000019502796 212035642 /nfs/dbraw/zinc/03/56/42/212035642.db2.gz UGTQGKNGMKBPCH-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2ccc(Br)cc2F)c1 ZINC000013259581 207367857 /nfs/dbraw/zinc/36/78/57/207367857.db2.gz YVJACYCJHNPPKX-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM Cc1ccc(C(C)(C)C)cc1S([O-])=CC(=O)N1CCCC[C@H]1C ZINC000107959020 526243334 /nfs/dbraw/zinc/24/33/34/526243334.db2.gz XUGFLUYZOZYYSA-CMJOXMDJSA-N -1 0 335.513 3.801 20 0 EHADRM O=C([O-])C1CCN(C(=S)Nc2ccccc2-c2ccccc2)CC1 ZINC000740480325 596913141 /nfs/dbraw/zinc/91/31/41/596913141.db2.gz OUHKXTRPNKHAKZ-UHFFFAOYSA-N -1 0 340.448 3.847 20 0 EHADRM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818084862 596925168 /nfs/dbraw/zinc/92/51/68/596925168.db2.gz FHPKXDLQEPGGIN-WMLDXEAASA-N -1 0 338.407 3.724 20 0 EHADRM Cc1ccc(Oc2ccccc2)c(NC(=O)CSCC(=O)[O-])c1 ZINC000581861441 596938990 /nfs/dbraw/zinc/93/89/90/596938990.db2.gz NFOXLLGPDIHTEV-UHFFFAOYSA-N -1 0 331.393 3.544 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)CCSc2ccccc2Cl)C1 ZINC000386011301 597101297 /nfs/dbraw/zinc/10/12/97/597101297.db2.gz PZHVUZDWYDKAJU-LBPRGKRZSA-N -1 0 341.860 3.536 20 0 EHADRM CC(C)(C)[C@H](NC(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1ccccc1 ZINC000574138517 597118774 /nfs/dbraw/zinc/11/87/74/597118774.db2.gz XBCBBBXYIWDKHU-WMLDXEAASA-N -1 0 332.444 3.670 20 0 EHADRM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737722001 597196070 /nfs/dbraw/zinc/19/60/70/597196070.db2.gz UBBSLDCPDANLHA-NSHDSACASA-N -1 0 348.349 3.817 20 0 EHADRM C[C@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)c1ccc(Cl)s1 ZINC000316594014 597197113 /nfs/dbraw/zinc/19/71/13/597197113.db2.gz UFTDIMBFQXDQID-VIFPVBQESA-N -1 0 338.816 3.911 20 0 EHADRM CCc1ccc([C@H]2CCCN2C(=O)NCc2ccc(C(=O)[O-])cc2)o1 ZINC000263459995 597231790 /nfs/dbraw/zinc/23/17/90/597231790.db2.gz ILKVEUPHESTFPW-MRXNPFEDSA-N -1 0 342.395 3.587 20 0 EHADRM CN(C(=O)NCc1ccc(C(=O)[O-])cc1)[C@@H]1CCCc2ccccc21 ZINC000581654568 597298789 /nfs/dbraw/zinc/29/87/89/597298789.db2.gz RSFQNWNLRXSDTP-GOSISDBHSA-N -1 0 338.407 3.604 20 0 EHADRM CC(=O)N(Cc1ccc(NCc2ccc(C(=O)[O-])cc2)cc1)C1CC1 ZINC000263441175 597300483 /nfs/dbraw/zinc/30/04/83/597300483.db2.gz DOEMBWPXEOCTFM-UHFFFAOYSA-N -1 0 338.407 3.508 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)NCc1cc2c(s1)CCCC2 ZINC000819618130 597325351 /nfs/dbraw/zinc/32/53/51/597325351.db2.gz NDJCMXBIRAZHNV-UHFFFAOYSA-N -1 0 344.436 3.576 20 0 EHADRM CN(Cc1ccccc1Cl)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000390690887 597331430 /nfs/dbraw/zinc/33/14/30/597331430.db2.gz AZPICXFEAQZYAT-UHFFFAOYSA-N -1 0 332.787 3.631 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N1CCC[C@H]1c1cccs1 ZINC000819610320 597339186 /nfs/dbraw/zinc/33/91/86/597339186.db2.gz PCKDHYUVPMGTRD-AWEZNQCLSA-N -1 0 330.409 3.744 20 0 EHADRM O=C([O-])CCCCNC(=O)Nc1cccc(C2SCCS2)c1 ZINC000821518790 598169121 /nfs/dbraw/zinc/16/91/21/598169121.db2.gz KRIOEDZLOYZMSQ-UHFFFAOYSA-N -1 0 340.470 3.542 20 0 EHADRM CSc1cccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1C ZINC000780713321 598180129 /nfs/dbraw/zinc/18/01/29/598180129.db2.gz CERCHVNKGYYAAU-OAHLLOKOSA-N -1 0 344.436 3.534 20 0 EHADRM CSc1ccc(C)c(NC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000780721972 598189783 /nfs/dbraw/zinc/18/97/83/598189783.db2.gz WLKBAKIXOVQKGP-INIZCTEOSA-N -1 0 344.436 3.534 20 0 EHADRM CCCCN(C)c1ccc(NC(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000736993430 599701026 /nfs/dbraw/zinc/70/10/26/599701026.db2.gz ZNCADRLQOOQDGV-UHFFFAOYSA-N -1 0 347.459 3.688 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)Nc1cccc(Br)c1 ZINC000740057447 599706350 /nfs/dbraw/zinc/70/63/50/599706350.db2.gz UQOGGMCHMRFQES-UHFFFAOYSA-N -1 0 335.157 3.791 20 0 EHADRM C[C@@H](OCCCNC(=O)c1ccccc1NC(=O)[O-])c1ccccc1 ZINC000736699907 599706362 /nfs/dbraw/zinc/70/63/62/599706362.db2.gz GSPFAKPYJLJKJY-CQSZACIVSA-N -1 0 342.395 3.674 20 0 EHADRM CCCC[C@@H](Sc1nnc(Cc2ccccc2)n1CC)C(=O)[O-] ZINC000736986134 599709016 /nfs/dbraw/zinc/70/90/16/599709016.db2.gz UGJSGPFQUXGJOQ-CQSZACIVSA-N -1 0 333.457 3.624 20 0 EHADRM CCCCc1ccc(-c2csc(NC(=O)CCNC(=O)[O-])n2)cc1 ZINC000737001083 599710576 /nfs/dbraw/zinc/71/05/76/599710576.db2.gz KNZZATBAACUGGN-UHFFFAOYSA-N -1 0 347.440 3.749 20 0 EHADRM O=C([O-])C1(NC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)CCCCC1 ZINC000238053097 599716015 /nfs/dbraw/zinc/71/60/15/599716015.db2.gz RZWIUKLJKRGGHZ-ZWKOTPCHSA-N -1 0 337.419 3.847 20 0 EHADRM Cn1cccc1[C@@H]1CCCN1C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000739042946 599717120 /nfs/dbraw/zinc/71/71/20/599717120.db2.gz LGZUXAHZEPUXGO-HNNXBMFYSA-N -1 0 346.362 3.623 20 0 EHADRM C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCCNC(=O)[O-] ZINC000736724475 599718272 /nfs/dbraw/zinc/71/82/72/599718272.db2.gz MAUCNKXEQZNSSX-MRXNPFEDSA-N -1 0 340.423 3.824 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N2CCC[C@H]2c2ccccn2)ccc1F ZINC000740006212 599718716 /nfs/dbraw/zinc/71/87/16/599718716.db2.gz SRNFAEAMQIBWIM-HNNXBMFYSA-N -1 0 344.346 3.680 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N[C@H]2CCc3ccccc3C2)ccc1F ZINC000740006227 599719469 /nfs/dbraw/zinc/71/94/69/599719469.db2.gz TVUNGXVZMXBJDO-ZDUSSCGKSA-N -1 0 343.358 3.595 20 0 EHADRM C[C@H](c1ccc2ccccc2c1)N(C(=O)CCNC(=O)[O-])C1CC1 ZINC000736718778 599725943 /nfs/dbraw/zinc/72/59/43/599725943.db2.gz WCXYMBIUOMUIKE-CYBMUJFWSA-N -1 0 326.396 3.550 20 0 EHADRM O=C([O-])C1(NC(=O)Cc2ccccc2C(F)(F)F)CCCCCC1 ZINC000431990749 599728647 /nfs/dbraw/zinc/72/86/47/599728647.db2.gz IKAIIPSMBAAFNQ-UHFFFAOYSA-N -1 0 343.345 3.542 20 0 EHADRM CCC(CC)(CNC(=O)CCCNC(=O)[O-])c1ccc(Cl)cc1 ZINC000736893352 599729902 /nfs/dbraw/zinc/72/99/02/599729902.db2.gz JAHVXEIWRBKUAE-UHFFFAOYSA-N -1 0 340.851 3.562 20 0 EHADRM C[C@H](NC(=O)CCCNC(=O)[O-])c1ccc(Oc2ccccc2)cc1 ZINC000736636974 599729929 /nfs/dbraw/zinc/72/99/29/599729929.db2.gz PODNTZNXHPEPKV-AWEZNQCLSA-N -1 0 342.395 3.704 20 0 EHADRM CCC[C@@H](NC(=O)CCCNC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000736969959 599730615 /nfs/dbraw/zinc/73/06/15/599730615.db2.gz KHAHUDVENQOAJI-CYBMUJFWSA-N -1 0 346.349 3.711 20 0 EHADRM Cc1nc(CC(C)C)sc1C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000343091229 599744447 /nfs/dbraw/zinc/74/44/47/599744447.db2.gz LBENILKSALGWKU-CQSZACIVSA-N -1 0 346.452 3.596 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)CCCC(=O)c1c(C)cc(C)cc1C)C(=O)[O-] ZINC000737234620 599744474 /nfs/dbraw/zinc/74/44/74/599744474.db2.gz QCLAAGBWWIVZOU-DJJJIMSYSA-N -1 0 347.455 3.580 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000236968654 599745037 /nfs/dbraw/zinc/74/50/37/599745037.db2.gz VCDGHTROOUKZDA-AWEZNQCLSA-N -1 0 325.408 3.709 20 0 EHADRM CCC/C=C\C(=O)N(Cc1ccoc1C(=O)[O-])[C@H](C)c1ccccn1 ZINC000736974551 599748229 /nfs/dbraw/zinc/74/82/29/599748229.db2.gz MILXZWGCYZELQI-VYLZPFMQSA-N -1 0 342.395 3.819 20 0 EHADRM CCCN(C(=O)CCSCC(=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000737009048 599750153 /nfs/dbraw/zinc/75/01/53/599750153.db2.gz MLBOLHURLXZNMI-ZDUSSCGKSA-N -1 0 349.452 3.940 20 0 EHADRM Cc1csc([C@@H]2CCCCN2C(=O)c2ccc(C(=O)[O-])s2)n1 ZINC000262656129 599751753 /nfs/dbraw/zinc/75/17/53/599751753.db2.gz STHXDOVHUJSVRG-JTQLQIEISA-N -1 0 336.438 3.579 20 0 EHADRM CCN(C)[C@@H](C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccccc1 ZINC000737068173 599755208 /nfs/dbraw/zinc/75/52/08/599755208.db2.gz GHJIHWUMIDYVPX-MRXNPFEDSA-N -1 0 346.814 3.670 20 0 EHADRM COc1ccc([C@H](NC(=O)c2cc3sccc3s2)C(=O)[O-])cc1 ZINC000737960884 599762508 /nfs/dbraw/zinc/76/25/08/599762508.db2.gz DMPHJSRVHMSFFA-AWEZNQCLSA-N -1 0 347.417 3.527 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000236965672 599763164 /nfs/dbraw/zinc/76/31/64/599763164.db2.gz FEBXYIUQRWHIPY-CBRVECNMSA-N -1 0 344.238 3.712 20 0 EHADRM CC[C@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc(OC)cc1)c1ccccc1 ZINC000263147391 599764252 /nfs/dbraw/zinc/76/42/52/599764252.db2.gz LBSTUQDATKFLMU-AUUYWEPGSA-N -1 0 341.407 3.521 20 0 EHADRM Cc1oc(COC(=O)c2ccc(-c3ccco3)nc2C)cc1C(=O)[O-] ZINC000738838420 599764307 /nfs/dbraw/zinc/76/43/07/599764307.db2.gz TYLFVSWWVFRRMG-UHFFFAOYSA-N -1 0 341.319 3.607 20 0 EHADRM CCc1ccc(CCC(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000237167323 599767000 /nfs/dbraw/zinc/76/70/00/599767000.db2.gz QJFSSZYMAASDJB-UHFFFAOYSA-N -1 0 325.408 3.838 20 0 EHADRM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000237663025 599767019 /nfs/dbraw/zinc/76/70/19/599767019.db2.gz PMGDOZDXUOJJKE-LBPRGKRZSA-N -1 0 347.798 3.763 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1 ZINC000238044210 599767846 /nfs/dbraw/zinc/76/78/46/599767846.db2.gz XWXAKZUXSVHATP-IAGOWNOFSA-N -1 0 327.355 3.585 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CC3(CCC3)c3c2cccc3F)cc1 ZINC000647195042 599768712 /nfs/dbraw/zinc/76/87/12/599768712.db2.gz YIXYPJPKFDSAMB-UHFFFAOYSA-N -1 0 325.339 3.606 20 0 EHADRM COc1cccc2cc(C(=O)Nc3ccc(CCC(=O)[O-])cc3)oc21 ZINC000237355375 599769777 /nfs/dbraw/zinc/76/97/77/599769777.db2.gz KNSNOIAIDAPVBO-UHFFFAOYSA-N -1 0 339.347 3.711 20 0 EHADRM CC(C)Oc1cccc(CC(=O)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC000236759120 599771404 /nfs/dbraw/zinc/77/14/04/599771404.db2.gz DUGMYGUHEQBXOT-UHFFFAOYSA-N -1 0 341.407 3.672 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)NCCCCCC(=O)[O-])cc2)oc1C ZINC000669496848 599775981 /nfs/dbraw/zinc/77/59/81/599775981.db2.gz BCBYRADNLWABSS-UHFFFAOYSA-N -1 0 345.399 3.725 20 0 EHADRM C[C@H](CNC(=O)NCCCCC(=O)[O-])c1c(Cl)cccc1Cl ZINC000666524162 599788109 /nfs/dbraw/zinc/78/81/09/599788109.db2.gz KOVFFKZJOREVEM-SNVBAGLBSA-N -1 0 347.242 3.651 20 0 EHADRM O=C([O-])c1occc1COC(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000740280594 599791458 /nfs/dbraw/zinc/79/14/58/599791458.db2.gz CSTAWXSVQAQAFM-IRXDYDNUSA-N -1 0 336.343 3.978 20 0 EHADRM CCCCc1nc(-c2ccc(OCc3cc(C(=O)[O-])co3)cc2)no1 ZINC000737003287 599804500 /nfs/dbraw/zinc/80/45/00/599804500.db2.gz FWDUNRXOOXLIOZ-UHFFFAOYSA-N -1 0 342.351 3.949 20 0 EHADRM CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000736378238 599805939 /nfs/dbraw/zinc/80/59/39/599805939.db2.gz WNRGAYHJCLEAQZ-MRXNPFEDSA-N -1 0 328.368 3.710 20 0 EHADRM O=C([O-])CCN(Cc1coc(-c2ccccc2)n1)Cc1ccccc1 ZINC000692476990 599812411 /nfs/dbraw/zinc/81/24/11/599812411.db2.gz UAFUIZDHBDIVFD-UHFFFAOYSA-N -1 0 336.391 3.819 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C(F)F)cc2)cc1 ZINC000737950989 599816625 /nfs/dbraw/zinc/81/66/25/599816625.db2.gz DCOZAKGMJAWHPN-HNNXBMFYSA-N -1 0 349.333 3.579 20 0 EHADRM Cc1cc(C(=O)N[C@@H](C(=O)[O-])C(C)C)sc1-c1ccc(F)cc1 ZINC000236706110 599816634 /nfs/dbraw/zinc/81/66/34/599816634.db2.gz LQCKBCQMCMRLMU-CQSZACIVSA-N -1 0 335.400 3.702 20 0 EHADRM O=C([O-])c1coc(COC(=O)c2ccccc2Oc2cccnc2)c1 ZINC000740272782 599818414 /nfs/dbraw/zinc/81/84/14/599818414.db2.gz WQMAQRQCVHGBCO-UHFFFAOYSA-N -1 0 339.303 3.522 20 0 EHADRM Cc1cccc2c1CCN(C(=O)Nc1ccc(N(C)C(=O)[O-])cc1)C2 ZINC000738319028 599820749 /nfs/dbraw/zinc/82/07/49/599820749.db2.gz DMLJIDVETIKLJH-UHFFFAOYSA-N -1 0 339.395 3.699 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1nc(C)cs1 ZINC000736913749 599822518 /nfs/dbraw/zinc/82/25/18/599822518.db2.gz HDZVIOWJLJBLTB-CQSZACIVSA-N -1 0 347.440 3.742 20 0 EHADRM Cc1cccc2c1CC[C@H]2NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000738748600 599822561 /nfs/dbraw/zinc/82/25/61/599822561.db2.gz VJYWIDFFRGTVJJ-GOSISDBHSA-N -1 0 338.407 3.821 20 0 EHADRM O=C([O-])c1ccccc1C(=O)OCc1ccc(Br)cc1 ZINC000740242074 599829348 /nfs/dbraw/zinc/82/93/48/599829348.db2.gz MSOSXZXZEQMJOV-UHFFFAOYSA-N -1 0 335.153 3.504 20 0 EHADRM CN(C(=O)Cc1csc2ccccc12)c1ccccc1C(=O)[O-] ZINC000737325986 599837888 /nfs/dbraw/zinc/83/78/88/599837888.db2.gz ROXWKUBFVSUJEK-UHFFFAOYSA-N -1 0 325.389 3.805 20 0 EHADRM CN(C(=O)c1nc(-c2ccccc2)cs1)c1ccccc1C(=O)[O-] ZINC000737348768 599837907 /nfs/dbraw/zinc/83/79/07/599837907.db2.gz PPDZAJYPYNAIPB-UHFFFAOYSA-N -1 0 338.388 3.785 20 0 EHADRM CN(Cc1cc(C(=O)[O-])co1)Cc1ccccc1OC(F)(F)F ZINC000567620233 599845717 /nfs/dbraw/zinc/84/57/17/599845717.db2.gz VHBONZUGGVNBPE-UHFFFAOYSA-N -1 0 329.274 3.508 20 0 EHADRM CC(C)Cc1ccc(CC(=O)Nc2cccc(F)c2C(=O)[O-])cc1 ZINC000736452794 599846376 /nfs/dbraw/zinc/84/63/76/599846376.db2.gz GCCYNBQVBGIFPA-UHFFFAOYSA-N -1 0 329.371 3.904 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)Cc2ccc(C)cc2)cc1 ZINC000237358333 599846847 /nfs/dbraw/zinc/84/68/47/599846847.db2.gz NHNMSLQIYXQRBM-KRWDZBQOSA-N -1 0 343.448 3.592 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(Cl)o2)cc1 ZINC000237353332 599847605 /nfs/dbraw/zinc/84/76/05/599847605.db2.gz ZUBSTWZIARMDQT-LLVKDONJSA-N -1 0 339.800 3.601 20 0 EHADRM CCC[C@@H](NC(=O)c1cccc(OCC(=O)[O-])c1)C1CCCCC1 ZINC000537375628 599849841 /nfs/dbraw/zinc/84/98/41/599849841.db2.gz UZPWGNJMWIIRCF-QGZVFWFLSA-N -1 0 333.428 3.629 20 0 EHADRM Cc1cc(Cl)ccc1NC(=O)CNc1cccc(F)c1C(=O)[O-] ZINC000738399798 599856883 /nfs/dbraw/zinc/85/68/83/599856883.db2.gz UDLXWSCXTLYNFE-UHFFFAOYSA-N -1 0 336.750 3.536 20 0 EHADRM O=C([O-])CN(Cc1nc2ccccc2s1)Cc1ccc(F)c(F)c1 ZINC000739795830 599865313 /nfs/dbraw/zinc/86/53/13/599865313.db2.gz PXWXZSWMJMXNJG-UHFFFAOYSA-N -1 0 348.374 3.661 20 0 EHADRM CC(C)Oc1ccc(COC(=O)c2ccccc2NC(=O)[O-])cc1 ZINC000736495224 599866743 /nfs/dbraw/zinc/86/67/43/599866743.db2.gz ZXJGRVIHXFWNBJ-UHFFFAOYSA-N -1 0 329.352 3.921 20 0 EHADRM CCCCN(C(=O)N[C@@H]1CCCN(C(=O)[O-])C1)[C@@H](C)c1ccccc1 ZINC000736992096 599872199 /nfs/dbraw/zinc/87/21/99/599872199.db2.gz UYLUSYDYMLKBLT-DOTOQJQBSA-N -1 0 347.459 3.702 20 0 EHADRM Cc1cc([C@@H]2CCCN2C(=O)Nc2sc(C)c(C)c2C(=O)[O-])on1 ZINC000324833257 599880442 /nfs/dbraw/zinc/88/04/42/599880442.db2.gz ZMWYGRIPPKIJOP-NSHDSACASA-N -1 0 349.412 3.729 20 0 EHADRM Cc1cnc(NC(=O)NCc2c3ccccc3sc2C(=O)[O-])s1 ZINC000738802680 599881058 /nfs/dbraw/zinc/88/10/58/599881058.db2.gz NLFFPHUYONXAKK-UHFFFAOYSA-N -1 0 347.421 3.686 20 0 EHADRM CCC[C@H]1CCCC[C@@H]1NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000736974593 599881538 /nfs/dbraw/zinc/88/15/38/599881538.db2.gz NQHPXCZNWJSQKW-RDJZCZTQSA-N -1 0 332.444 3.885 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000736893133 599884956 /nfs/dbraw/zinc/88/49/56/599884956.db2.gz XPARUGKVPBEYGP-PDOXMOPTSA-N -1 0 345.439 3.733 20 0 EHADRM O=C([O-])c1coc(COC(=O)CCc2ccc(Cl)c(Cl)c2)c1 ZINC000739261450 599885554 /nfs/dbraw/zinc/88/55/54/599885554.db2.gz SGXZKYAMFWWJIO-UHFFFAOYSA-N -1 0 343.162 3.961 20 0 EHADRM O=C([O-])C1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)CC1 ZINC000238074539 599899049 /nfs/dbraw/zinc/89/90/49/599899049.db2.gz ONFOQGZSPPDMJY-SJROMKODSA-N -1 0 337.419 3.703 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000738119523 599900892 /nfs/dbraw/zinc/90/08/92/599900892.db2.gz HOTZBOUIPXKISO-LLVKDONJSA-N -1 0 331.343 3.665 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000738122161 599906929 /nfs/dbraw/zinc/90/69/29/599906929.db2.gz YMYYGJZMKNRBJL-GFCCVEGCSA-N -1 0 328.368 3.917 20 0 EHADRM CC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000736159360 599907604 /nfs/dbraw/zinc/90/76/04/599907604.db2.gz HNKZJPIVQLVDPS-UHFFFAOYSA-N -1 0 347.758 3.641 20 0 EHADRM CC(C)Cn1nnnc1SCc1c2ccccc2sc1C(=O)[O-] ZINC000736453468 599908360 /nfs/dbraw/zinc/90/83/60/599908360.db2.gz GCZWKXFRNCJBOY-UHFFFAOYSA-N -1 0 348.453 3.534 20 0 EHADRM CCCCCC[C@@H](C)CC(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000736983733 599912620 /nfs/dbraw/zinc/91/26/20/599912620.db2.gz GHGDWPLHDPXYHO-PBHICJAKSA-N -1 0 333.428 3.862 20 0 EHADRM Cc1cc(NC(=O)c2cc(F)c(F)c(F)c2F)ccc1C(=O)[O-] ZINC000321278456 599917939 /nfs/dbraw/zinc/91/79/39/599917939.db2.gz FVJNJYOUZJNSPS-UHFFFAOYSA-N -1 0 327.233 3.502 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)c2cc3c(s2)CCC3)c1 ZINC000238085046 599923272 /nfs/dbraw/zinc/92/32/72/599923272.db2.gz MDCBACWPTFTINS-UHFFFAOYSA-N -1 0 347.461 3.807 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)/C=C\c2ccccc2F)c1 ZINC000739871411 599923841 /nfs/dbraw/zinc/92/38/41/599923841.db2.gz CIIXUBDEYSLBOP-HJWRWDBZSA-N -1 0 345.395 3.795 20 0 EHADRM CC(C)C[C@H](NC(=O)CN(C)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000736409910 599926106 /nfs/dbraw/zinc/92/61/06/599926106.db2.gz AQLUXZGTCBTTTO-ZDUSSCGKSA-N -1 0 346.349 3.519 20 0 EHADRM C[C@@H]1CCCC[C@@H]1NC(=S)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000736785485 599926841 /nfs/dbraw/zinc/92/68/41/599926841.db2.gz PSSCWHACAYCXKQ-VNQPRFMTSA-N -1 0 334.485 3.635 20 0 EHADRM Cc1cccc(NC(=S)N[C@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000738736868 599927212 /nfs/dbraw/zinc/92/72/12/599927212.db2.gz YEPFCNSALBIODE-MRXNPFEDSA-N -1 0 328.437 3.888 20 0 EHADRM Cn1c(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)cc2ccccc21 ZINC000139279455 599931969 /nfs/dbraw/zinc/93/19/69/599931969.db2.gz LFCVXGLDHQLDCD-INIZCTEOSA-N -1 0 336.391 3.514 20 0 EHADRM C[C@H](CC(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-])CC(C)(C)C ZINC000736541529 599944248 /nfs/dbraw/zinc/94/42/48/599944248.db2.gz KOWSRGCJEQTVAZ-UKRRQHHQSA-N -1 0 337.435 3.648 20 0 EHADRM Cc1ccc(C(=O)OCc2c3ccccc3sc2C(=O)[O-])n1C ZINC000738546469 599944445 /nfs/dbraw/zinc/94/44/45/599944445.db2.gz DNCSENSAARKVFF-UHFFFAOYSA-N -1 0 329.377 3.603 20 0 EHADRM CCCCOc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2O)cc1 ZINC000392434658 599946460 /nfs/dbraw/zinc/94/64/60/599946460.db2.gz IQSWXVHUOSDFSR-UHFFFAOYSA-N -1 0 329.352 3.522 20 0 EHADRM Cc1c(C(=O)Nc2cccc(C(=O)[O-])c2O)sc2nccc(C)c12 ZINC000738798390 599950263 /nfs/dbraw/zinc/95/02/63/599950263.db2.gz PFEZGURFDWBESH-UHFFFAOYSA-N -1 0 342.376 3.569 20 0 EHADRM Cc1ccccc1NCCC(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000738778652 599952670 /nfs/dbraw/zinc/95/26/70/599952670.db2.gz RJHYICJFFVWFKY-GOSISDBHSA-N -1 0 340.423 3.519 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc(C2CC2)nc2ccccc21)c1ccccc1 ZINC000238030811 599987627 /nfs/dbraw/zinc/98/76/27/599987627.db2.gz LXNKPXVQVAKVGG-LJQANCHMSA-N -1 0 346.386 3.668 20 0 EHADRM CC(C)c1ccsc1C(=O)OCc1cn2cccc(C(=O)[O-])c2n1 ZINC000736523493 599988457 /nfs/dbraw/zinc/98/84/57/599988457.db2.gz SMLHNQGBUYKHIW-UHFFFAOYSA-N -1 0 344.392 3.574 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000128673141 599994590 /nfs/dbraw/zinc/99/45/90/599994590.db2.gz ZGMWHHLTINFLMN-CHWSQXEVSA-N -1 0 331.318 3.714 20 0 EHADRM Cc1c(NC(=O)NC2CC(C)(c3ccccc3)C2)cccc1C(=O)[O-] ZINC000738303756 599995302 /nfs/dbraw/zinc/99/53/02/599995302.db2.gz JEBRYMPGICYCLN-UHFFFAOYSA-N -1 0 338.407 3.935 20 0 EHADRM CC(C)Oc1ccc(COC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000736494271 599996346 /nfs/dbraw/zinc/99/63/46/599996346.db2.gz KXOWXYBMEDXYAX-UHFFFAOYSA-N -1 0 329.352 3.921 20 0 EHADRM Cc1cccc(C)c1OCCOC(=O)c1cccc(NC(=O)[O-])c1 ZINC000738687098 599997005 /nfs/dbraw/zinc/99/70/05/599997005.db2.gz DIKPRYDMKMZGRC-UHFFFAOYSA-N -1 0 329.352 3.629 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)N[C@H](CC(=O)[O-])c2ccccc2)c1 ZINC000737732150 600000428 /nfs/dbraw/zinc/00/04/28/600000428.db2.gz BUYJXAYRCMGADH-SUMWQHHRSA-N -1 0 342.395 3.732 20 0 EHADRM O=C([O-])c1ccc(CNCc2csc(-c3ccsc3)n2)cc1 ZINC000426697909 600007756 /nfs/dbraw/zinc/00/77/56/600007756.db2.gz WKIUTGRMRXGYIV-UHFFFAOYSA-N -1 0 330.434 3.860 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000736322252 600007936 /nfs/dbraw/zinc/00/79/36/600007936.db2.gz UALISTDROIPFRW-UHFFFAOYSA-N -1 0 330.359 3.623 20 0 EHADRM O=C([O-])C1CCC(NC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000037561652 600010001 /nfs/dbraw/zinc/01/00/01/600010001.db2.gz PEKSTAVWQRSTGA-UHFFFAOYSA-N -1 0 331.199 3.758 20 0 EHADRM Cc1cc(NC(=O)NC(C)(C)c2ccc(F)cc2)ccc1C(=O)[O-] ZINC000738437944 600012446 /nfs/dbraw/zinc/01/24/46/600012446.db2.gz UJIZAXONIXCHID-UHFFFAOYSA-N -1 0 330.359 3.889 20 0 EHADRM CCc1ccc([C@@H](C)NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000737259612 600013232 /nfs/dbraw/zinc/01/32/32/600013232.db2.gz VDEIIPITOCRMML-CYBMUJFWSA-N -1 0 338.407 3.734 20 0 EHADRM Cc1cc(NC(=O)N2CCC(OCCC(C)C)CC2)ccc1C(=O)[O-] ZINC000738437215 600013340 /nfs/dbraw/zinc/01/33/40/600013340.db2.gz KGPJTCMGUCSBCQ-UHFFFAOYSA-N -1 0 348.443 3.752 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)N[C@@H]1CC[C@@H]3CCCC[C@@H]3C1)C2 ZINC000740201786 600014436 /nfs/dbraw/zinc/01/44/36/600014436.db2.gz AXECLULICFBXCL-PMUMKWKESA-N -1 0 342.439 3.769 20 0 EHADRM Cc1cc(NC(=O)NCCOc2cccc(Cl)c2)ccc1C(=O)[O-] ZINC000738440127 600014796 /nfs/dbraw/zinc/01/47/96/600014796.db2.gz IJPHAWBLXXXBJI-UHFFFAOYSA-N -1 0 348.786 3.547 20 0 EHADRM CC[C@H](NC(=O)NC1CCC(C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000262957328 600015527 /nfs/dbraw/zinc/01/55/27/600015527.db2.gz IRQSQADTNPQZJZ-KWCHVYNWSA-N -1 0 338.835 3.734 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)NC1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000262903118 600016424 /nfs/dbraw/zinc/01/64/24/600016424.db2.gz DBWVAAUTTWIATM-GPANFISMSA-N -1 0 332.444 3.716 20 0 EHADRM Cc1ccccc1C1CCN(C(=O)NCCCCCCC(=O)[O-])CC1 ZINC000738323702 600018298 /nfs/dbraw/zinc/01/82/98/600018298.db2.gz AGVVCIREHZFNTB-UHFFFAOYSA-N -1 0 346.471 3.919 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)C1 ZINC000463465990 600022818 /nfs/dbraw/zinc/02/28/18/600022818.db2.gz FZSRVSUUQXUULA-AWEZNQCLSA-N -1 0 349.858 3.865 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)c1oc2c(ccc3ccccc23)c1C ZINC000351524236 600022933 /nfs/dbraw/zinc/02/29/33/600022933.db2.gz QEFWBIOCWVCUNN-UHFFFAOYSA-N -1 0 325.364 3.831 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C ZINC000236941349 600023448 /nfs/dbraw/zinc/02/34/48/600023448.db2.gz WQGSHARMZFMZHC-OAHLLOKOSA-N -1 0 342.439 3.651 20 0 EHADRM Cc1cccc(C[C@H](CNC(=O)Nc2cc(C)ccc2C)C(=O)[O-])c1 ZINC000738707887 600025799 /nfs/dbraw/zinc/02/57/99/600025799.db2.gz JCYKYEUYCIAEPA-QGZVFWFLSA-N -1 0 340.423 3.677 20 0 EHADRM Cc1cc(Br)ccc1C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000738314251 600026493 /nfs/dbraw/zinc/02/64/93/600026493.db2.gz VZQOUYFZCWOGDG-UHFFFAOYSA-N -1 0 349.180 3.604 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)NC2CCC(C(=O)[O-])CC2)c(C)c1 ZINC000263475465 600027601 /nfs/dbraw/zinc/02/76/01/600027601.db2.gz MMGLBZTYRJMBMI-FHERZECASA-N -1 0 332.444 3.649 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)/C=C/c2nc3ccccc3s2)c1 ZINC000739890283 600028592 /nfs/dbraw/zinc/02/85/92/600028592.db2.gz YZIFDTONSCJCJK-CMDGGOBGSA-N -1 0 339.372 3.542 20 0 EHADRM O=C([O-])C1CCC(NC(=S)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000739563786 600034424 /nfs/dbraw/zinc/03/44/24/600034424.db2.gz LCMQCUFZKYEOJV-UHFFFAOYSA-N -1 0 347.267 3.923 20 0 EHADRM CN(C(=O)CCc1ccc(C(=O)[O-])cc1)[C@H]1CCCc2ccccc21 ZINC000237288583 600034815 /nfs/dbraw/zinc/03/48/15/600034815.db2.gz HTPRMCHLDQMTFX-IBGZPJMESA-N -1 0 337.419 3.853 20 0 EHADRM COc1ccccc1C/C(C)=C\C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000738123323 600036473 /nfs/dbraw/zinc/03/64/73/600036473.db2.gz DWILBJJSFZNDKG-BENRWUELSA-N -1 0 343.354 3.660 20 0 EHADRM COc1ccccc1C/C(C)=C/C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000738123808 600037981 /nfs/dbraw/zinc/03/79/81/600037981.db2.gz JAUHIXWZCBWVRY-WYMLVPIESA-N -1 0 339.391 3.829 20 0 EHADRM CCc1cccc2c(CC(=O)Nc3sccc3C(=O)[O-])c[nH]c21 ZINC000737269937 600040357 /nfs/dbraw/zinc/04/03/57/600040357.db2.gz LDMOXFHGXLBSMJ-UHFFFAOYSA-N -1 0 328.393 3.671 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1ccc(Cl)c(Cl)c1)C2 ZINC000316938675 600044279 /nfs/dbraw/zinc/04/42/79/600044279.db2.gz AVXRHCGJEGDBPV-UHFFFAOYSA-N -1 0 336.174 3.848 20 0 EHADRM CC(C)c1ccc(CCC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000621555788 600046464 /nfs/dbraw/zinc/04/64/64/600046464.db2.gz YRPSMBNNXYQTSE-UHFFFAOYSA-N -1 0 337.419 3.983 20 0 EHADRM Cc1ccc2c(CC(=O)N3Cc4ccc(C(=O)[O-])cc4C3)coc2c1C ZINC000738667114 600048176 /nfs/dbraw/zinc/04/81/76/600048176.db2.gz BCWBRTSJQPNACF-UHFFFAOYSA-N -1 0 349.386 3.833 20 0 EHADRM Cc1ccc(SCCC(=O)NC2CCC(C(=O)[O-])CC2)cc1C ZINC000261769746 600048764 /nfs/dbraw/zinc/04/87/64/600048764.db2.gz QUJIGTKKPOWJIF-UHFFFAOYSA-N -1 0 335.469 3.545 20 0 EHADRM Cn1c(SCc2ccc(F)cc2C(=O)[O-])nnc1-c1ccccc1 ZINC000739014630 600058342 /nfs/dbraw/zinc/05/83/42/600058342.db2.gz PDFVTRLQGHGDEQ-UHFFFAOYSA-N -1 0 343.383 3.612 20 0 EHADRM CCc1ccsc1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000737275437 600061280 /nfs/dbraw/zinc/06/12/80/600061280.db2.gz UWIGIJCIANVZBT-UHFFFAOYSA-N -1 0 344.436 3.861 20 0 EHADRM CC(C)(C(=O)N1CCc2cc(C(=O)[O-])ccc21)c1ccccc1Cl ZINC000736223718 600061294 /nfs/dbraw/zinc/06/12/94/600061294.db2.gz KCRPKUWEQJHMSA-UHFFFAOYSA-N -1 0 343.810 3.905 20 0 EHADRM Cc1cccc(C[C@@H](CNC(=O)C[C@@H](C)c2ccccc2)C(=O)[O-])c1 ZINC000237653183 600061392 /nfs/dbraw/zinc/06/13/92/600061392.db2.gz CEXJWWKLWKUWSL-APWZRJJASA-N -1 0 339.435 3.548 20 0 EHADRM CC[C@@H](CC(=O)Nc1ccc(OCC(=O)[O-])cc1C)c1ccccc1 ZINC000236934065 600062085 /nfs/dbraw/zinc/06/20/85/600062085.db2.gz JJFGBNIQAXZGQI-HNNXBMFYSA-N -1 0 341.407 3.981 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OC(=O)c1cnc(-c2ccco2)s1 ZINC000740307373 600062522 /nfs/dbraw/zinc/06/25/22/600062522.db2.gz LJUQAKQNYWNEDS-UHFFFAOYSA-N -1 0 349.751 3.974 20 0 EHADRM CC(C)N(C(=O)Cn1cc(C(=O)[O-])c2ccccc21)C1CCCCC1 ZINC000736456069 600062934 /nfs/dbraw/zinc/06/29/34/600062934.db2.gz XHLIWQVUXYGFNU-UHFFFAOYSA-N -1 0 342.439 3.909 20 0 EHADRM COc1ccc(CCCCCC(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC000237208120 600065501 /nfs/dbraw/zinc/06/55/01/600065501.db2.gz KCJAJSBCCJHSAH-UHFFFAOYSA-N -1 0 347.455 3.702 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000738121696 600066293 /nfs/dbraw/zinc/06/62/93/600066293.db2.gz SWYLJAPGSJULSO-LUAWRHEFSA-N -1 0 329.327 3.575 20 0 EHADRM Cc1ccccc1CC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000237715881 600067297 /nfs/dbraw/zinc/06/72/97/600067297.db2.gz VUNNOGFZNNHFQQ-UHFFFAOYSA-N -1 0 343.448 3.884 20 0 EHADRM O=C([O-])C1CCC(NC(=O)c2ccccc2Nc2ccccc2)CC1 ZINC000261996781 600075057 /nfs/dbraw/zinc/07/50/57/600075057.db2.gz DEUZOIILRGFQKZ-UHFFFAOYSA-N -1 0 338.407 3.803 20 0 EHADRM CCc1cc(Oc2cccc(CC(=O)[O-])c2)nc(-c2ccncc2)n1 ZINC000737251848 600075094 /nfs/dbraw/zinc/07/50/94/600075094.db2.gz HTRJGAXDPJIAAD-UHFFFAOYSA-N -1 0 335.363 3.520 20 0 EHADRM Cc1ccc2c(CNc3cccc(F)c3C(=O)[O-])cc(=O)oc2c1 ZINC000738665309 600075909 /nfs/dbraw/zinc/07/59/09/600075909.db2.gz LIGFCVBPVNEEQG-UHFFFAOYSA-N -1 0 327.311 3.551 20 0 EHADRM Cc1cn2nc(Nc3cccc(CSCCC(=O)[O-])c3)sc2n1 ZINC000738798855 600079549 /nfs/dbraw/zinc/07/95/49/600079549.db2.gz PCCNVWKYOCIRCI-UHFFFAOYSA-N -1 0 348.453 3.551 20 0 EHADRM Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000738306184 600081691 /nfs/dbraw/zinc/08/16/91/600081691.db2.gz XOSTXORVYDSYDB-GJZGRUSLSA-N -1 0 329.783 3.975 20 0 EHADRM Cc1ncc(CS[C@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)s1 ZINC000738885895 600085234 /nfs/dbraw/zinc/08/52/34/600085234.db2.gz YITNGOAUCUROGH-SECBINFHSA-N -1 0 338.454 3.599 20 0 EHADRM Cc1cc(C)n(-c2ccc(CN3Cc4ccc(C(=O)[O-])cc4C3)cc2)n1 ZINC000738372872 600085260 /nfs/dbraw/zinc/08/52/60/600085260.db2.gz ZIBZRHJAJVTQIX-UHFFFAOYSA-N -1 0 347.418 3.703 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000738115251 600087395 /nfs/dbraw/zinc/08/73/95/600087395.db2.gz KQRMVBJQGZCZEJ-UHFFFAOYSA-N -1 0 346.358 3.841 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)CCCOc2ccccc2)ccc1F ZINC000740004944 600090328 /nfs/dbraw/zinc/09/03/28/600090328.db2.gz BVXPAWISDNPOSD-UHFFFAOYSA-N -1 0 332.331 3.713 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2cc(F)c(F)c(F)c2F)ccc1F ZINC000740008576 600090450 /nfs/dbraw/zinc/09/04/50/600090450.db2.gz RENUUEPPESYEOQ-UHFFFAOYSA-N -1 0 346.211 3.724 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCC2(Sc3ccccc3)CC2)cc1 ZINC000738498415 600095454 /nfs/dbraw/zinc/09/54/54/600095454.db2.gz HICAJFMSCRXJRK-UHFFFAOYSA-N -1 0 342.420 3.831 20 0 EHADRM CN(CCc1ccccc1F)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000737447349 600097328 /nfs/dbraw/zinc/09/73/28/600097328.db2.gz XSVNTCKVKYECPF-UHFFFAOYSA-N -1 0 344.386 3.549 20 0 EHADRM C[C@@H](COc1cccc(F)c1)OC(=O)c1cccc(NC(=O)[O-])c1 ZINC000736616178 600101734 /nfs/dbraw/zinc/10/17/34/600101734.db2.gz RAPGOADNZPCVJM-NSHDSACASA-N -1 0 333.315 3.540 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CN1CCO[C@H](c2ccccc2Cl)C1 ZINC000579119396 600102232 /nfs/dbraw/zinc/10/22/32/600102232.db2.gz OIYFYGJOVAVEMG-INIZCTEOSA-N -1 0 335.787 3.513 20 0 EHADRM Cc1ccc(OS(=O)(=O)c2ccc(C(C)C)cc2)c(C(=O)[O-])c1 ZINC000013268239 600106620 /nfs/dbraw/zinc/10/66/20/600106620.db2.gz CCIXUVCUYAVMQC-UHFFFAOYSA-N -1 0 334.393 3.584 20 0 EHADRM O=C([O-])c1ccc(-c2noc(Cc3cccc4cccnc43)n2)cc1 ZINC000740101218 600111741 /nfs/dbraw/zinc/11/17/41/600111741.db2.gz AGLJRROMIUFTIX-UHFFFAOYSA-N -1 0 331.331 3.574 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CCCc3ccccc3C2)c(F)cc1F ZINC000392936085 600112543 /nfs/dbraw/zinc/11/25/43/600112543.db2.gz MSEYCYDJRDPHBM-UHFFFAOYSA-N -1 0 346.333 3.643 20 0 EHADRM COc1ccc2cc(-c3nc(-c4ccc(C(=O)[O-])cc4)no3)[nH]c2c1 ZINC000738081181 600114697 /nfs/dbraw/zinc/11/46/97/600114697.db2.gz YARUMRBJJLOFGW-UHFFFAOYSA-N -1 0 335.319 3.592 20 0 EHADRM Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)s1 ZINC000738843866 600115320 /nfs/dbraw/zinc/11/53/20/600115320.db2.gz FFFQZBOUCCRQAD-LLVKDONJSA-N -1 0 347.440 3.991 20 0 EHADRM O=C([O-])c1ccc(-c2noc([C@@H]3C[C@@H]3c3ccc(F)c(F)c3)n2)cc1 ZINC000740101504 600115347 /nfs/dbraw/zinc/11/53/47/600115347.db2.gz OQJZZGFFXIZJGS-CHWSQXEVSA-N -1 0 342.301 3.984 20 0 EHADRM C[C@@H](CC(=O)OCc1ccc(F)cc1C(=O)[O-])c1ccccc1F ZINC000736555146 600116679 /nfs/dbraw/zinc/11/66/79/600116679.db2.gz BOLCJSBBDSPRQE-NSHDSACASA-N -1 0 334.318 3.900 20 0 EHADRM Cc1cc(NC(=O)c2cc3c(s2)CCCCCC3)c(C(=O)[O-])[nH]1 ZINC000322503125 600122210 /nfs/dbraw/zinc/12/22/10/600122210.db2.gz CVORCPGOOCCOKS-UHFFFAOYSA-N -1 0 332.425 3.994 20 0 EHADRM CO[C@@](C)(C(=O)O[C@@H](C)c1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000737724068 600122197 /nfs/dbraw/zinc/12/21/97/600122197.db2.gz SXSOXXYNWXBVDS-ORAYPTAESA-N -1 0 328.364 3.551 20 0 EHADRM CC[C@@](NCc1cc(-c2ccccc2)no1)(C(=O)[O-])c1ccccc1 ZINC000736919404 600131822 /nfs/dbraw/zinc/13/18/22/600131822.db2.gz YOOTYNYYFAWSHQ-FQEVSTJZSA-N -1 0 336.391 3.821 20 0 EHADRM COc1ccc(S[C@H](C)C(=O)Oc2ccc(C)cc2C(=O)[O-])cc1 ZINC000738069660 600132225 /nfs/dbraw/zinc/13/22/25/600132225.db2.gz QRPIZUMRZIRDSV-GFCCVEGCSA-N -1 0 346.404 3.788 20 0 EHADRM O=C([O-])CCCNC(=S)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000739681430 600149422 /nfs/dbraw/zinc/14/94/22/600149422.db2.gz NPILETXZBKZPJT-OAHLLOKOSA-N -1 0 340.876 3.510 20 0 EHADRM O=C([O-])CCc1ccc(NC(=S)Nc2ccc(F)cc2F)cc1 ZINC000739764475 600149612 /nfs/dbraw/zinc/14/96/12/600149612.db2.gz ZQEDYVWVKCBURQ-UHFFFAOYSA-N -1 0 336.363 3.791 20 0 EHADRM O=C([O-])CCCCCNC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000238153401 600150018 /nfs/dbraw/zinc/15/00/18/600150018.db2.gz ALMFGBBYDICHJL-STQMWFEESA-N -1 0 344.238 3.858 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)Nc1ccc(Cl)nc1)C(=O)[O-] ZINC000736715265 600153480 /nfs/dbraw/zinc/15/34/80/600153480.db2.gz BNYOPXWHNRPLFG-VIFPVBQESA-N -1 0 336.800 3.553 20 0 EHADRM CC[C@H](CC(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1)c1ccccc1 ZINC000486390432 600154140 /nfs/dbraw/zinc/15/41/40/600154140.db2.gz ZXRVNEKSFPTSEG-VQIMIIECSA-N -1 0 339.435 3.863 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)Cc2ccccc2Br)c1 ZINC000740042076 600157143 /nfs/dbraw/zinc/15/71/43/600157143.db2.gz DJEWYFSUHHAKLR-UHFFFAOYSA-N -1 0 349.184 3.720 20 0 EHADRM CC(C)(NC(=O)[O-])C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000736332491 600158737 /nfs/dbraw/zinc/15/87/37/600158737.db2.gz JKZKHCAWPRQIMN-UHFFFAOYSA-N -1 0 334.416 3.521 20 0 EHADRM COc1ccc(C(=O)[O-])c(OCc2cc(-c3ccccc3)on2)c1 ZINC000324653822 600160030 /nfs/dbraw/zinc/16/00/30/600160030.db2.gz AUNNUAJPNBABEI-UHFFFAOYSA-N -1 0 325.320 3.627 20 0 EHADRM Cc1ccc([C@H](CNC(=O)/C=C\Sc2ccccc2)C(=O)[O-])cc1 ZINC000738554593 600161821 /nfs/dbraw/zinc/16/18/21/600161821.db2.gz QDXGQGGWIGBAKE-CPFIRTDXSA-N -1 0 341.432 3.585 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)/C=C\c2ccccc2Cl)C(=O)[O-])cc1 ZINC000738553594 600163056 /nfs/dbraw/zinc/16/30/56/600163056.db2.gz FHGMNULPEHFDLV-BLIJAFNYSA-N -1 0 343.810 3.646 20 0 EHADRM Cc1ccc([C@H](CNC(=O)/C=C\c2ccccc2Cl)C(=O)[O-])cc1 ZINC000738553602 600163135 /nfs/dbraw/zinc/16/31/35/600163135.db2.gz FHGMNULPEHFDLV-SNGWPZLWSA-N -1 0 343.810 3.646 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)NC[C@H](C(=O)[O-])c2ccc(C)cc2)C1(C)C ZINC000676022337 600165996 /nfs/dbraw/zinc/16/59/96/600165996.db2.gz VBQDVFRJAUPEPY-BBWFWOEESA-N -1 0 329.440 3.518 20 0 EHADRM Cc1ccc([C@H](CNc2ncnc3cc(Cl)ccc32)C(=O)[O-])cc1 ZINC000738566713 600167266 /nfs/dbraw/zinc/16/72/66/600167266.db2.gz AVJGNNLOXVJNSC-HNNXBMFYSA-N -1 0 341.798 3.872 20 0 EHADRM O=C([O-])c1ccc(NCc2ccccc2Sc2ccccc2)nn1 ZINC000740154472 600167792 /nfs/dbraw/zinc/16/77/92/600167792.db2.gz CKEZWOCGZZMYGW-UHFFFAOYSA-N -1 0 337.404 3.938 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c(F)c1 ZINC000324777137 600168114 /nfs/dbraw/zinc/16/81/14/600168114.db2.gz GMZVPNUPHLGMRH-UHFFFAOYSA-N -1 0 343.232 3.675 20 0 EHADRM CC[C@](NC(=O)c1cc(C)n(C(C)C)c1C)(C(=O)[O-])c1ccccc1 ZINC000262396127 600170006 /nfs/dbraw/zinc/17/00/06/600170006.db2.gz GSFRGUWSTWPOTR-HXUWFJFHSA-N -1 0 342.439 3.806 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CC[C@H](c2ccccc2F)C1 ZINC000738534676 600172015 /nfs/dbraw/zinc/17/20/15/600172015.db2.gz ZZCDHNOWXFAYSC-AWEZNQCLSA-N -1 0 342.370 3.854 20 0 EHADRM Cc1cc(C)cc([C@H](C)NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000738363872 600173367 /nfs/dbraw/zinc/17/33/67/600173367.db2.gz OLIHCQCZNNBOHR-AWEZNQCLSA-N -1 0 338.407 3.788 20 0 EHADRM CC(C)c1cccc(O[C@H](C(=O)OCC(=O)[O-])c2ccccc2)c1 ZINC000736521235 600174672 /nfs/dbraw/zinc/17/46/72/600174672.db2.gz NLTODGHNGBIROB-SFHVURJKSA-N -1 0 328.364 3.558 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC000738125615 600175777 /nfs/dbraw/zinc/17/57/77/600175777.db2.gz HJEHKTBBYZVCMH-KUHUBIRLSA-N -1 0 342.391 3.633 20 0 EHADRM CC(C)c1ccc(-c2ncc(COC(=O)[C@H]3C[C@@H]3C(=O)[O-])s2)cc1 ZINC000736515199 600175973 /nfs/dbraw/zinc/17/59/73/600175973.db2.gz HUSSHXVNKMDRLV-GJZGRUSLSA-N -1 0 345.420 3.697 20 0 EHADRM O=C([O-])c1ccoc1COC(=O)c1sccc1SC(F)F ZINC000740253908 600175964 /nfs/dbraw/zinc/17/59/64/600175964.db2.gz VIIZERAVKULHMK-UHFFFAOYSA-N -1 0 334.321 3.711 20 0 EHADRM CN(CCc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)[O-] ZINC000737448376 600178098 /nfs/dbraw/zinc/17/80/98/600178098.db2.gz MNMSVIJYFRDCCZ-UHFFFAOYSA-N -1 0 332.787 3.745 20 0 EHADRM CCN(C(=O)Nc1ccc(C(=O)[O-])cc1F)[C@H](C)c1cccnc1 ZINC000737059926 600183310 /nfs/dbraw/zinc/18/33/10/600183310.db2.gz KJJXMTBDZWLTTB-LLVKDONJSA-N -1 0 331.347 3.534 20 0 EHADRM C[C@H](CCC1CCCCC1)NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736560770 600189796 /nfs/dbraw/zinc/18/97/96/600189796.db2.gz DULVNSUPGIANEL-GDBMZVCRSA-N -1 0 336.476 3.632 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC000736616859 600189861 /nfs/dbraw/zinc/18/98/61/600189861.db2.gz BJETWWHIBHGYOW-ZDUSSCGKSA-N -1 0 330.405 3.648 20 0 EHADRM C/C(=C/C(=O)N(CCC(=O)[O-])Cc1ccccc1)c1cccc(F)c1 ZINC000736119004 600191943 /nfs/dbraw/zinc/19/19/43/600191943.db2.gz ZVGUGNUNKUJYLJ-QINSGFPZSA-N -1 0 341.382 3.733 20 0 EHADRM O=C([O-])c1sc2ccccc2c1COC(=O)CCc1cscn1 ZINC000739259055 600195173 /nfs/dbraw/zinc/19/51/73/600195173.db2.gz IDULSOUQLLPIPX-UHFFFAOYSA-N -1 0 347.417 3.732 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)c2cc(-c3ccccc3)ccc2Cl)C1 ZINC000128504543 600197257 /nfs/dbraw/zinc/19/72/57/600197257.db2.gz HONJQAVFXVXMBL-HNNXBMFYSA-N -1 0 343.810 3.944 20 0 EHADRM COc1ccc(SCCC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000479554999 600200902 /nfs/dbraw/zinc/20/09/02/600200902.db2.gz HIYWMFZPODPZKT-UHFFFAOYSA-N -1 0 349.383 3.653 20 0 EHADRM CCc1cccc2c(CC(=O)Nc3ccc(C(=O)[O-])cc3F)c[nH]c21 ZINC000737270784 600201026 /nfs/dbraw/zinc/20/10/26/600201026.db2.gz YXMMFXIVVOBBIG-UHFFFAOYSA-N -1 0 340.354 3.749 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2cc(Cl)c(Cl)[nH]2)c1 ZINC000147486200 600201926 /nfs/dbraw/zinc/20/19/26/600201926.db2.gz YIAWEQMPWOQOGS-UHFFFAOYSA-N -1 0 333.558 3.925 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2cc3ccccc3[nH]c2=O)c1 ZINC000740072397 600203485 /nfs/dbraw/zinc/20/34/85/600203485.db2.gz NQZPROXLOCVPJB-UHFFFAOYSA-N -1 0 342.738 3.544 20 0 EHADRM Cc1nc(-c2ccccc2F)sc1[C@H](C)OC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000738833489 600204452 /nfs/dbraw/zinc/20/44/52/600204452.db2.gz YLXSECAVNUYGDY-MVWJERBFSA-N -1 0 349.383 3.583 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000320820484 600204478 /nfs/dbraw/zinc/20/44/78/600204478.db2.gz YIANPBDENMZMRX-UHFFFAOYSA-N -1 0 337.715 3.534 20 0 EHADRM Cc1ccc([C@H]2NC(=O)N(Cc3cccs3)C(C)=C2C(=O)[O-])s1 ZINC000736752193 600205949 /nfs/dbraw/zinc/20/59/49/600205949.db2.gz VEJIZJWYTRGUCF-CQSZACIVSA-N -1 0 348.449 3.743 20 0 EHADRM Cc1cccc([C@H]2NC(=O)N(Cc3cccs3)C(C)=C2C(=O)[O-])c1 ZINC000736749400 600205953 /nfs/dbraw/zinc/20/59/53/600205953.db2.gz BKJBBPTZCIZAQP-MRXNPFEDSA-N -1 0 342.420 3.682 20 0 EHADRM CC1=C(C(=O)[O-])[C@H](c2ccc(F)cc2)NC(=O)N1Cc1cccs1 ZINC000736749476 600206033 /nfs/dbraw/zinc/20/60/33/600206033.db2.gz CCAZHWKHNPVMER-HNNXBMFYSA-N -1 0 346.383 3.512 20 0 EHADRM C[C@H](CC(=O)N1CCc2cc(C(=O)[O-])ccc21)c1cccc(F)c1 ZINC000736540951 600206067 /nfs/dbraw/zinc/20/60/67/600206067.db2.gz FEUAQYOCXHDZER-GFCCVEGCSA-N -1 0 327.355 3.607 20 0 EHADRM Cc1c(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)cccc1C(=O)[O-] ZINC000675966730 600206976 /nfs/dbraw/zinc/20/69/76/600206976.db2.gz SSHPGFJJYZLWPO-RYUDHWBXSA-N -1 0 331.318 3.714 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000485728101 600207260 /nfs/dbraw/zinc/20/72/60/600207260.db2.gz ABCJSHOCUYDPBX-HZPDHXFCSA-N -1 0 345.782 3.578 20 0 EHADRM Cc1ccc(NC(=O)CNc2cc(Cl)cc(C(=O)[O-])c2)c(C)c1 ZINC000738621494 600208048 /nfs/dbraw/zinc/20/80/48/600208048.db2.gz ILOMIHKLBLQVCF-UHFFFAOYSA-N -1 0 332.787 3.706 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(F)ccc2F)c(OC(F)F)c1 ZINC000740150207 600212380 /nfs/dbraw/zinc/21/23/80/600212380.db2.gz PMAZAFVCAAERJN-UHFFFAOYSA-N -1 0 343.232 3.517 20 0 EHADRM CN(Cc1c(F)c(F)c(F)c(F)c1F)[C@H](C(=O)[O-])c1ccccc1 ZINC000737454268 600212452 /nfs/dbraw/zinc/21/24/52/600212452.db2.gz HQUFQWWCFPHIRE-HNNXBMFYSA-N -1 0 345.267 3.640 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N3CCC[C@@H]3c3ccco3)c12 ZINC000649389163 600214358 /nfs/dbraw/zinc/21/43/58/600214358.db2.gz RLFMOWDXBMMNAF-LLVKDONJSA-N -1 0 343.408 3.941 20 0 EHADRM CC(C)c1ccccc1NC(=O)CN(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000736523390 600217157 /nfs/dbraw/zinc/21/71/57/600217157.db2.gz OCKJCSXYEBDUCP-LJQANCHMSA-N -1 0 340.423 3.506 20 0 EHADRM CC[C@H](C)c1ccc(OS(=O)(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC000736890698 600219547 /nfs/dbraw/zinc/21/95/47/600219547.db2.gz GYBPWVZRDQETPC-ZDUSSCGKSA-N -1 0 348.420 3.807 20 0 EHADRM COc1cc2ccccc2cc1C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000737908474 600220778 /nfs/dbraw/zinc/22/07/78/600220778.db2.gz VKQISABJPSCNRB-KRWDZBQOSA-N -1 0 347.370 3.677 20 0 EHADRM CC(C)COc1ccc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000262309402 600223690 /nfs/dbraw/zinc/22/36/90/600223690.db2.gz YUTRKMJXBACEEC-KRWDZBQOSA-N -1 0 339.391 3.550 20 0 EHADRM CCCCc1nnc(NC(=O)Nc2cccc(NC(=O)[O-])c2)s1 ZINC000737002762 600225001 /nfs/dbraw/zinc/22/50/01/600225001.db2.gz ABAHORHSVMBFBG-UHFFFAOYSA-N -1 0 335.389 3.615 20 0 EHADRM CC(C)OCc1cccc(NC(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000736486084 600227210 /nfs/dbraw/zinc/22/72/10/600227210.db2.gz MYKKUTRWIGIMPW-UHFFFAOYSA-N -1 0 328.368 3.954 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)Nc2cc(F)c(F)cc2F)c1 ZINC000740043173 600235621 /nfs/dbraw/zinc/23/56/21/600235621.db2.gz PICFAOYTXYJJKG-UHFFFAOYSA-N -1 0 325.246 3.838 20 0 EHADRM CC(C)(C)[C@H]1CCc2sc(C(=O)N3CCC[C@H]3C(=O)[O-])cc2C1 ZINC000236729580 600235723 /nfs/dbraw/zinc/23/57/23/600235723.db2.gz LMKPFKGJULQNGY-STQMWFEESA-N -1 0 335.469 3.588 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)Nc2cc(C(=O)[O-])ccc2F)o1 ZINC000738582588 600240363 /nfs/dbraw/zinc/24/03/63/600240363.db2.gz LBJGMEVTYKAYIN-AWEZNQCLSA-N -1 0 332.331 3.794 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)C[C@H](C)c1cccc(F)c1 ZINC000736187711 600245639 /nfs/dbraw/zinc/24/56/39/600245639.db2.gz YNNFQLBXEXBXIF-NSHDSACASA-N -1 0 344.338 3.826 20 0 EHADRM Cc1nc(NC(=O)C(C)(C)c2cccc(Cl)c2)sc1C(=O)[O-] ZINC000738362364 600247291 /nfs/dbraw/zinc/24/72/91/600247291.db2.gz KZDREBRUCCJRML-UHFFFAOYSA-N -1 0 338.816 3.719 20 0 EHADRM CCCCc1ccc(NC(=S)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000737003407 600248325 /nfs/dbraw/zinc/24/83/25/600248325.db2.gz GZMYPPXGVIFCOD-MRXNPFEDSA-N -1 0 346.496 3.913 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000738085327 600248374 /nfs/dbraw/zinc/24/83/74/600248374.db2.gz NONGKEGERVEYEJ-VHSXEESVSA-N -1 0 346.301 3.668 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)CC[C@H]1CCCCO1 ZINC000676018673 600250114 /nfs/dbraw/zinc/25/01/14/600250114.db2.gz CSWCBHPFWMWBAR-GFCCVEGCSA-N -1 0 347.436 3.565 20 0 EHADRM CN(CCCC(=O)O[C@@H]1CCCC[C@H]1c1ccc(F)cc1)C(=O)[O-] ZINC000737432773 600250495 /nfs/dbraw/zinc/25/04/95/600250495.db2.gz FIMTUJHBIZXTDW-JKSUJKDBSA-N -1 0 337.391 3.785 20 0 EHADRM Cc1cc(NC(=O)CCCCOc2cc(C)ccc2C)c(C(=O)[O-])[nH]1 ZINC000738577140 600252932 /nfs/dbraw/zinc/25/29/32/600252932.db2.gz OEOLOYQLVMWYBX-UHFFFAOYSA-N -1 0 344.411 3.826 20 0 EHADRM Cc1cc(NC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)c(C(=O)[O-])[nH]1 ZINC000738421000 600253776 /nfs/dbraw/zinc/25/37/76/600253776.db2.gz BHTZJAUVPRJORT-CVEARBPZSA-N -1 0 334.375 3.917 20 0 EHADRM O=C([O-])CCCCCNC(=O)C1(Sc2ccccc2)CCCC1 ZINC000238137338 600254445 /nfs/dbraw/zinc/25/44/45/600254445.db2.gz RZMJAUVVUUUKJJ-UHFFFAOYSA-N -1 0 335.469 3.853 20 0 EHADRM CC[C@H](C)[C@H](C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccccc1 ZINC000262492563 600257420 /nfs/dbraw/zinc/25/74/20/600257420.db2.gz WVJDRKMVVOZSGJ-XIRDDKMYSA-N -1 0 329.440 3.530 20 0 EHADRM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000237542678 600258818 /nfs/dbraw/zinc/25/88/18/600258818.db2.gz UHGSPWSSLQJQPR-CMPLNLGQSA-N -1 0 333.384 3.604 20 0 EHADRM Cc1cc(F)cc2[nH]c(C(=O)O[C@H](C)c3ccc(C(=O)[O-])o3)cc21 ZINC000738396338 600268104 /nfs/dbraw/zinc/26/81/04/600268104.db2.gz CQYQNQYBRDWRNJ-SECBINFHSA-N -1 0 331.299 3.825 20 0 EHADRM O=C([O-])[C@H]1C[C@H]1C(=O)OCc1ccc(Oc2ccccc2F)c(F)c1 ZINC000739555673 600269791 /nfs/dbraw/zinc/26/97/91/600269791.db2.gz FIHQGVLYRKDZMD-NWDGAFQWSA-N -1 0 348.301 3.521 20 0 EHADRM Cc1cc(COC(=O)C(C)(C)c2cccc(Cl)c2)oc1C(=O)[O-] ZINC000738391392 600272156 /nfs/dbraw/zinc/27/21/56/600272156.db2.gz BRRCSFMSNGMCSX-UHFFFAOYSA-N -1 0 336.771 3.961 20 0 EHADRM CC(C)[C@@H](CC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccccc1 ZINC000262477644 600272435 /nfs/dbraw/zinc/27/24/35/600272435.db2.gz TWYLVPVVLDOEMJ-SJORKVTESA-N -1 0 329.440 3.530 20 0 EHADRM CC(C)(C)c1ccc(/C=C/C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000736298350 600273843 /nfs/dbraw/zinc/27/38/43/600273843.db2.gz QJOZIWWXJLROQP-NADMHLTPSA-N -1 0 341.451 3.711 20 0 EHADRM CCCCCOc1ccc(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000262433521 600274356 /nfs/dbraw/zinc/27/43/56/600274356.db2.gz MUVMSRHDVYYYKL-QGZVFWFLSA-N -1 0 345.439 3.583 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N2CCCC3(CCCCC3)C2)cc1 ZINC000262352028 600279776 /nfs/dbraw/zinc/27/97/76/600279776.db2.gz BPDWBDHLGPTJAI-UHFFFAOYSA-N -1 0 329.440 3.890 20 0 EHADRM C[C@@H](c1ccncc1)N(C)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000383994800 600286558 /nfs/dbraw/zinc/28/65/58/600286558.db2.gz VIWDGKZMKRVIII-JTQLQIEISA-N -1 0 333.775 3.658 20 0 EHADRM CC(C)(NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1nccs1 ZINC000319022977 600286611 /nfs/dbraw/zinc/28/66/11/600286611.db2.gz WSTQLGRYYOHBCU-UHFFFAOYSA-N -1 0 339.804 3.552 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C1(C)C ZINC000736344279 600287047 /nfs/dbraw/zinc/28/70/47/600287047.db2.gz YGHYLGKMKHIMDT-CVEARBPZSA-N -1 0 330.428 3.973 20 0 EHADRM C[C@H](Cc1ccsc1)NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000388562027 600289131 /nfs/dbraw/zinc/28/91/31/600289131.db2.gz ZZKKMSBTFCZKDN-SECBINFHSA-N -1 0 338.816 3.852 20 0 EHADRM C[C@H](CNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)Oc1ccccc1 ZINC000736598056 600289169 /nfs/dbraw/zinc/28/91/69/600289169.db2.gz FZDIRPCBILAWGG-LLVKDONJSA-N -1 0 348.786 3.627 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)Cc2cccc3ccccc32)cc1 ZINC000739987935 600291218 /nfs/dbraw/zinc/29/12/18/600291218.db2.gz HWHBIKATNHAISA-UHFFFAOYSA-N -1 0 334.375 3.789 20 0 EHADRM O=C([O-])NCc1ccc(Nc2ncnc3cc(Cl)ccc32)cc1 ZINC000740000065 600314581 /nfs/dbraw/zinc/31/45/81/600314581.db2.gz CGXVCBWPBRRLNZ-UHFFFAOYSA-N -1 0 328.759 3.794 20 0 EHADRM Cc1cccc(O[C@@H](C)C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000738735213 600323544 /nfs/dbraw/zinc/32/35/44/600323544.db2.gz SAPZCYVVSAPHNF-BLLLJJGKSA-N -1 0 348.782 3.785 20 0 EHADRM CCO[C@H](C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1)c1ccccc1 ZINC000737157237 600327163 /nfs/dbraw/zinc/32/71/63/600327163.db2.gz SHHFBANKGCQEQG-HOTGVXAUSA-N -1 0 348.782 3.787 20 0 EHADRM Nc1ccc(Cl)c(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000739203060 600327825 /nfs/dbraw/zinc/32/78/25/600327825.db2.gz MVEHZIHJPZCSLO-ZDUSSCGKSA-N -1 0 340.162 3.558 20 0 EHADRM Cc1ccc(C)c(NC(=O)[C@H](C)Nc2ccc(CNC(=O)[O-])cc2)c1 ZINC000738573710 600328207 /nfs/dbraw/zinc/32/82/07/600328207.db2.gz GYJVJDOSHMJEHH-AWEZNQCLSA-N -1 0 341.411 3.510 20 0 EHADRM O=C([O-])[C@H](OC(=O)CCOCc1ccccc1)c1cccc(Cl)c1 ZINC000739250689 600328215 /nfs/dbraw/zinc/32/82/15/600328215.db2.gz HCBYHGAQXTTZMH-QGZVFWFLSA-N -1 0 348.782 3.616 20 0 EHADRM COc1ccc([C@@H](C)C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000737951458 600329634 /nfs/dbraw/zinc/32/96/34/600329634.db2.gz VPIFZJYWXXDDCK-BDJLRTHQSA-N -1 0 348.782 3.821 20 0 EHADRM CSc1ccc(NC(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000738210842 600334992 /nfs/dbraw/zinc/33/49/92/600334992.db2.gz BIZMRPHKCLXEIU-UHFFFAOYSA-N -1 0 331.397 3.820 20 0 EHADRM CCCOc1ccc(NC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)c(C)c1 ZINC000737031252 600336733 /nfs/dbraw/zinc/33/67/33/600336733.db2.gz LJGRBDTUVJAFSD-HNNXBMFYSA-N -1 0 346.427 3.502 20 0 EHADRM CCOc1ccc(NC(=O)Nc2ccc(CNC(=O)[O-])cc2)c(C)c1 ZINC000737202416 600338235 /nfs/dbraw/zinc/33/82/35/600338235.db2.gz FKAYXWCBBKALLM-UHFFFAOYSA-N -1 0 343.383 3.805 20 0 EHADRM CS[C@@H]1CCC[C@H](NC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)C1 ZINC000738140114 600338815 /nfs/dbraw/zinc/33/88/15/600338815.db2.gz SDTJGOQBAAESMN-GXTWGEPZSA-N -1 0 337.445 3.597 20 0 EHADRM CC(C)c1ccc([C@H](C)NC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000736511754 600340970 /nfs/dbraw/zinc/34/09/70/600340970.db2.gz CRFBARFSGXFIFS-WMLDXEAASA-N -1 0 344.455 3.767 20 0 EHADRM CC1CCC(C)(NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)CC1 ZINC000736762832 600346699 /nfs/dbraw/zinc/34/66/99/600346699.db2.gz MBBSCSVKUCEQGO-UHFFFAOYSA-N -1 0 333.432 3.887 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000736598567 600348184 /nfs/dbraw/zinc/34/81/84/600348184.db2.gz MKDSGYQXZJXKLR-LBPRGKRZSA-N -1 0 345.374 3.519 20 0 EHADRM CC(C)(NC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000736325048 600348213 /nfs/dbraw/zinc/34/82/13/600348213.db2.gz VLXOFKQCDPKDKW-UHFFFAOYSA-N -1 0 345.374 3.650 20 0 EHADRM CCC[C@H](NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)C1CCCCC1 ZINC000736972456 600351576 /nfs/dbraw/zinc/35/15/76/600351576.db2.gz FUAUWRYFMOPSSG-HOTGVXAUSA-N -1 0 336.476 3.632 20 0 EHADRM O=C([O-])NCCOC(=O)c1ccc(-c2ccc(Cl)cc2)cc1F ZINC000739973306 600359965 /nfs/dbraw/zinc/35/99/65/600359965.db2.gz NMOIYVLTGJGVHJ-UHFFFAOYSA-N -1 0 337.734 3.571 20 0 EHADRM CC[C@H](Sc1[nH]c(=O)nc(C)c1C(=O)[O-])c1ccc(F)cc1F ZINC000736929705 600361405 /nfs/dbraw/zinc/36/14/05/600361405.db2.gz SIEQENVIAPZFOU-NSHDSACASA-N -1 0 340.351 3.710 20 0 EHADRM C[C@@H](SCC(=O)Nc1ccsc1C(=O)[O-])c1cccs1 ZINC000736706622 600362641 /nfs/dbraw/zinc/36/26/41/600362641.db2.gz BTKYSFPDCSVHOD-MRVPVSSYSA-N -1 0 327.452 3.941 20 0 EHADRM CCN(CC)[C@H](C(=O)OCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000737086487 600368622 /nfs/dbraw/zinc/36/86/22/600368622.db2.gz ZDHZRECTDGUBOL-SFHVURJKSA-N -1 0 341.407 3.511 20 0 EHADRM Cc1cc(NC(=O)c2nc(C(C)C)ncc2Cl)sc1C(=O)[O-] ZINC000315192319 600371269 /nfs/dbraw/zinc/37/12/69/600371269.db2.gz ZQJUIYLNFAPSNO-UHFFFAOYSA-N -1 0 339.804 3.574 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)/C=C/c1ccnc2ccccc12)c1ccccc1 ZINC000178277445 600380861 /nfs/dbraw/zinc/38/08/61/600380861.db2.gz FSWWBOZXZMHVPV-GNISGLHKSA-N -1 0 346.386 3.580 20 0 EHADRM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC(C)(C)CCC(=O)[O-] ZINC000237598208 600381618 /nfs/dbraw/zinc/38/16/18/600381618.db2.gz ZYWOCEVBEQBXLB-ZDUSSCGKSA-N -1 0 335.444 3.511 20 0 EHADRM O=C([O-])c1cc(NC(=O)NCc2cccc3ccccc32)ccc1F ZINC000392897726 600383018 /nfs/dbraw/zinc/38/30/18/600383018.db2.gz MLGQECYRLJBBTH-UHFFFAOYSA-N -1 0 338.338 3.999 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000738757109 600383326 /nfs/dbraw/zinc/38/33/26/600383326.db2.gz WKOVOBHBNJAOGX-HNNXBMFYSA-N -1 0 340.423 3.937 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)c1cc2cc(F)ccc2o1)c1ccccc1 ZINC000139416887 600383607 /nfs/dbraw/zinc/38/36/07/600383607.db2.gz PTTICJVFXTZOJM-OAHLLOKOSA-N -1 0 341.338 3.908 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000236770119 600383708 /nfs/dbraw/zinc/38/37/08/600383708.db2.gz GYUIHQPJZYGUGB-UHFFFAOYSA-N -1 0 325.408 3.911 20 0 EHADRM Cc1cc(NC(=O)c2ccc(OC3CCCCC3)cc2)c(C(=O)[O-])[nH]1 ZINC000738448383 600383946 /nfs/dbraw/zinc/38/39/46/600383946.db2.gz FTEVJIDBUSOYOZ-UHFFFAOYSA-N -1 0 342.395 3.985 20 0 EHADRM O=C([O-])c1cc(NC(=O)NC2CCC(C(F)(F)F)CC2)ccc1F ZINC000739474523 600384783 /nfs/dbraw/zinc/38/47/83/600384783.db2.gz WXQGHZGILKTUJX-UHFFFAOYSA-N -1 0 348.296 3.767 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@@H]2CCSc3ccccc32)ccc1F ZINC000739471486 600385938 /nfs/dbraw/zinc/38/59/38/600385938.db2.gz KSGLBGIPVRJUQD-CQSZACIVSA-N -1 0 346.383 3.883 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)N(c1ccccc1)[C@H](CC)C(=O)[O-] ZINC000736928469 600386212 /nfs/dbraw/zinc/38/62/12/600386212.db2.gz TVPNLAIHEWCMFW-IAGOWNOFSA-N -1 0 333.428 3.621 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@@H](C)Cc1ccc(F)cc1)c1ccccc1 ZINC000736848039 600388192 /nfs/dbraw/zinc/38/81/92/600388192.db2.gz LOWKNKQARCRWJC-KBXCAEBGSA-N -1 0 343.398 3.901 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1csc(C(C)(C)C)n1)c1ccccc1 ZINC000736849874 600388209 /nfs/dbraw/zinc/38/82/09/600388209.db2.gz ATPOWCACOCUJIF-AWEZNQCLSA-N -1 0 346.452 3.951 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)COc1cc(C)cc(C)c1)c1ccccc1 ZINC000736851340 600389324 /nfs/dbraw/zinc/38/93/24/600389324.db2.gz HDOGXLFGXFTORS-SFHVURJKSA-N -1 0 341.407 3.579 20 0 EHADRM O=C([O-])c1cc(NC(=O)NCc2c(F)cccc2Cl)ccc1F ZINC000739436551 600390393 /nfs/dbraw/zinc/39/03/93/600390393.db2.gz QQVATGZZTBLIKE-UHFFFAOYSA-N -1 0 340.713 3.638 20 0 EHADRM Cc1cccc([C@H]2CCCCCN2C(=O)CCCN(C)C(=O)[O-])c1 ZINC000738687836 600391059 /nfs/dbraw/zinc/39/10/59/600391059.db2.gz VRYNGWCMZDQMMY-QGZVFWFLSA-N -1 0 332.444 3.829 20 0 EHADRM COc1ccc(C)cc1[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000737975077 600395003 /nfs/dbraw/zinc/39/50/03/600395003.db2.gz FQUJZXOHSMKKSM-NSHDSACASA-N -1 0 346.358 3.724 20 0 EHADRM Cc1ccc([C@H](CNC(=O)CC/C=C/c2ccccc2)C(=O)[O-])cc1 ZINC000486405140 600399749 /nfs/dbraw/zinc/39/97/49/600399749.db2.gz NBQDSCLSGVZSIS-SQUITACLSA-N -1 0 337.419 3.773 20 0 EHADRM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000736823246 600401230 /nfs/dbraw/zinc/40/12/30/600401230.db2.gz BPNHIAIGONUXBI-QLJPJBMISA-N -1 0 328.343 3.579 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccc(F)c(F)c1 ZINC000736648554 600401271 /nfs/dbraw/zinc/40/12/71/600401271.db2.gz GAPKQUDNURRGHO-QMMMGPOBSA-N -1 0 338.285 3.685 20 0 EHADRM O=C([O-])[C@@H](c1ccccc1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000517381390 600403428 /nfs/dbraw/zinc/40/34/28/600403428.db2.gz JSPQMTCKPLVWQQ-IAGOWNOFSA-N -1 0 349.789 3.678 20 0 EHADRM C[C@H]1CCC[C@@H](NC(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC000736777021 600405944 /nfs/dbraw/zinc/40/59/44/600405944.db2.gz UQEOTDXTBCDFEL-GXSJLCMTSA-N -1 0 342.342 3.686 20 0 EHADRM CC(C)(C)/C=C\C(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC000736252399 600407025 /nfs/dbraw/zinc/40/70/25/600407025.db2.gz ZCIABBCUIXUGKS-KTKRTIGZSA-N -1 0 344.436 3.978 20 0 EHADRM CC1(C)CCN(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)CC1 ZINC000736732649 600408320 /nfs/dbraw/zinc/40/83/20/600408320.db2.gz MAIUQRMYZXWIKF-UHFFFAOYSA-N -1 0 342.342 3.640 20 0 EHADRM CC(=O)Nc1ccc(C)c(N[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000736163056 600421947 /nfs/dbraw/zinc/42/19/47/600421947.db2.gz ZGDRSXJRJUCMPM-MRXNPFEDSA-N -1 0 332.787 3.845 20 0 EHADRM CC[C@H](NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)c1ccc(Cl)s1 ZINC000736914294 600423162 /nfs/dbraw/zinc/42/31/62/600423162.db2.gz OKMILNWBDHEQFL-VIFPVBQESA-N -1 0 340.832 3.926 20 0 EHADRM CCN(CCC(=O)[O-])Cn1nc(-c2c(C)cc(C)cc2C)oc1=S ZINC000737095720 600423659 /nfs/dbraw/zinc/42/36/59/600423659.db2.gz BUBOHFUFYNFFEN-UHFFFAOYSA-N -1 0 349.456 3.552 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)C[C@@H]2CCc3ccccc3C2)c1 ZINC000262066614 600426386 /nfs/dbraw/zinc/42/63/86/600426386.db2.gz CJBYFULCRVCBME-GFCCVEGCSA-N -1 0 327.355 3.658 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)c1 ZINC000740242910 600429235 /nfs/dbraw/zinc/42/92/35/600429235.db2.gz WCULOWTVYAKMDD-SJORKVTESA-N -1 0 332.359 3.675 20 0 EHADRM O=C([O-])[C@H](Nc1cccc(COCC2CC2)c1)c1ccc(F)cc1 ZINC000739511266 600430633 /nfs/dbraw/zinc/43/06/33/600430633.db2.gz GJFDNOUCTIMHBR-GOSISDBHSA-N -1 0 329.371 3.990 20 0 EHADRM O=C([O-])[C@H](NCc1sccc1Br)c1ccc(F)cc1 ZINC000739506220 600431610 /nfs/dbraw/zinc/43/16/10/600431610.db2.gz VTHZAVYHMXTILW-GFCCVEGCSA-N -1 0 344.205 3.565 20 0 EHADRM Cc1ccc2c(c1C)OC[C@@H]2N[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000738674858 600434574 /nfs/dbraw/zinc/43/45/74/600434574.db2.gz CJERGRLSNYWJCC-JKSUJKDBSA-N -1 0 331.799 3.806 20 0 EHADRM CC[C@H]1c2ccccc2CCN1CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000736949606 600448501 /nfs/dbraw/zinc/44/85/01/600448501.db2.gz KZCREVPWXOIVBQ-INIZCTEOSA-N -1 0 340.423 3.522 20 0 EHADRM Cc1ccc(OCCC(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1C ZINC000738643229 600449240 /nfs/dbraw/zinc/44/92/40/600449240.db2.gz KVADBRGTMUXMTM-GOSISDBHSA-N -1 0 346.354 3.581 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](NC(=O)CCSCC(=O)[O-])C(C)C ZINC000738288840 600450289 /nfs/dbraw/zinc/45/02/89/600450289.db2.gz IRYPMVUMSYTIIJ-KRWDZBQOSA-N -1 0 349.452 3.762 20 0 EHADRM Cc1cc(C)n(CCC(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])n1 ZINC000738227237 600451886 /nfs/dbraw/zinc/45/18/86/600451886.db2.gz QDFOHEBICSMSLI-UHFFFAOYSA-N -1 0 349.456 3.586 20 0 EHADRM Cc1cc(NC(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)no1 ZINC000738442826 600455364 /nfs/dbraw/zinc/45/53/64/600455364.db2.gz TZNBVENWYYHRNQ-CQSZACIVSA-N -1 0 345.399 3.618 20 0 EHADRM C[C@@H](CC(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(F)cc1 ZINC000736556966 600456452 /nfs/dbraw/zinc/45/64/52/600456452.db2.gz OWTZUIDMAOWDRI-APPDUMDISA-N -1 0 334.318 3.828 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N[C@H]2CSc3ccccc32)ccc1F ZINC000740004461 600463910 /nfs/dbraw/zinc/46/39/10/600463910.db2.gz BYWGEJLYGJFNHY-ZDUSSCGKSA-N -1 0 347.371 3.884 20 0 EHADRM O=C(/C=C/C1CCOCC1)OCc1c2ccccc2sc1C(=O)[O-] ZINC000739216553 600466758 /nfs/dbraw/zinc/46/67/58/600466758.db2.gz UDAWJQJWPDEGFE-AATRIKPKSA-N -1 0 346.404 3.626 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)Nc2ccc(-c3ccccc3)cc2F)C1 ZINC000669495766 600474401 /nfs/dbraw/zinc/47/44/01/600474401.db2.gz OCMBYXFRUNEKQL-OAHLLOKOSA-N -1 0 342.370 3.821 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)[C@H]1CSc2ccccc21 ZINC000325789816 600474722 /nfs/dbraw/zinc/47/47/22/600474722.db2.gz GFVDQUFUHVFMMI-HNNXBMFYSA-N -1 0 339.416 3.554 20 0 EHADRM Cc1c(NC(=O)N2CCc3cccc(F)c3[C@H]2C)cccc1C(=O)[O-] ZINC000738303729 600475906 /nfs/dbraw/zinc/47/59/06/600475906.db2.gz IDROMYLZTAZFPC-GFCCVEGCSA-N -1 0 342.370 3.984 20 0 EHADRM CC(C(=O)NCc1ccc(C(=O)[O-])o1)(c1ccccc1)c1ccccc1 ZINC000736215348 600477835 /nfs/dbraw/zinc/47/78/35/600477835.db2.gz NZFHOSRTUZLPSR-UHFFFAOYSA-N -1 0 349.386 3.600 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000736904007 600478835 /nfs/dbraw/zinc/47/88/35/600478835.db2.gz NVJMPHVHILULCV-MRXNPFEDSA-N -1 0 341.407 3.748 20 0 EHADRM Cc1c(Cl)cc(NC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1Cl ZINC000263477931 600479368 /nfs/dbraw/zinc/47/93/68/600479368.db2.gz JWQGBIJMUSNZHZ-VIFPVBQESA-N -1 0 331.199 3.630 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000558139294 600479291 /nfs/dbraw/zinc/47/92/91/600479291.db2.gz SRGQBSUUSJHQSZ-UHFFFAOYSA-N -1 0 341.388 3.945 20 0 EHADRM Cc1c(Cl)cc(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1Cl ZINC000263477929 600479386 /nfs/dbraw/zinc/47/93/86/600479386.db2.gz JWQGBIJMUSNZHZ-SECBINFHSA-N -1 0 331.199 3.630 20 0 EHADRM C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000320888665 600479576 /nfs/dbraw/zinc/47/95/76/600479576.db2.gz YGSTYGYFSQUXRD-VIFPVBQESA-N -1 0 337.734 3.583 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)o1 ZINC000345910517 600479569 /nfs/dbraw/zinc/47/95/69/600479569.db2.gz UJVOIDCKSSUWQS-DLBZAZTESA-N -1 0 335.359 3.551 20 0 EHADRM Cc1c(Br)cccc1NC(=O)NCCCCCC(=O)[O-] ZINC000232218168 600480241 /nfs/dbraw/zinc/48/02/41/600480241.db2.gz LIBXPELSJGMOHJ-UHFFFAOYSA-N -1 0 343.221 3.524 20 0 EHADRM Cc1ccc([C@H](C)CNC(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000738550001 600483187 /nfs/dbraw/zinc/48/31/87/600483187.db2.gz ADIPIOJRORHSET-OAHLLOKOSA-N -1 0 340.423 3.937 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1cccc(Nc2ccccc2)c1 ZINC000736466029 600485805 /nfs/dbraw/zinc/48/58/05/600485805.db2.gz YSYMSOVENARZNF-UHFFFAOYSA-N -1 0 326.396 3.756 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000738533658 600502380 /nfs/dbraw/zinc/50/23/80/600502380.db2.gz QQTAHXFYGFBFCE-GOEBONIOSA-N -1 0 348.443 3.656 20 0 EHADRM Cc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1F ZINC000738597569 600515719 /nfs/dbraw/zinc/51/57/19/600515719.db2.gz LVEOGVGCFWUOHU-UHFFFAOYSA-N -1 0 336.750 3.807 20 0 EHADRM Cn1cccc1[C@@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000739041854 600516892 /nfs/dbraw/zinc/51/68/92/600516892.db2.gz CQUARYRLGIJZKS-HNNXBMFYSA-N -1 0 347.802 3.746 20 0 EHADRM O=C([O-])c1cccc(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)c1 ZINC000739338396 600521541 /nfs/dbraw/zinc/52/15/41/600521541.db2.gz IDUNLSJPBWJFBX-UHFFFAOYSA-N -1 0 328.755 3.701 20 0 EHADRM CCN(C(=O)CCCOc1ccccc1C)c1ccccc1C(=O)[O-] ZINC000737053615 600523079 /nfs/dbraw/zinc/52/30/79/600523079.db2.gz VBBVQZNTZODTJN-UHFFFAOYSA-N -1 0 341.407 3.905 20 0 EHADRM O=C([O-])C1(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)CCCCCC1 ZINC000739339479 600523698 /nfs/dbraw/zinc/52/36/98/600523698.db2.gz VDROQVAVJBNHMD-UHFFFAOYSA-N -1 0 348.830 3.658 20 0 EHADRM C[C@H](NC(=O)NCc1ccc(C(=O)[O-])o1)c1ccc(C(C)(C)C)cc1 ZINC000736646899 600528677 /nfs/dbraw/zinc/52/86/77/600528677.db2.gz NAICLEDTBOXVQF-LBPRGKRZSA-N -1 0 344.411 3.836 20 0 EHADRM C[C@@H](NC(=O)NCc1ccc(C(=O)[O-])o1)c1ccc(C(C)(C)C)cc1 ZINC000736646897 600528749 /nfs/dbraw/zinc/52/87/49/600528749.db2.gz NAICLEDTBOXVQF-GFCCVEGCSA-N -1 0 344.411 3.836 20 0 EHADRM CCN(C(=O)c1ccc(-n2cc(C)cn2)cc1)c1ccccc1C(=O)[O-] ZINC000737058257 600532108 /nfs/dbraw/zinc/53/21/08/600532108.db2.gz NZJAQIKYHHFAOY-UHFFFAOYSA-N -1 0 349.390 3.546 20 0 EHADRM CC(C)(C)[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000675987244 600532818 /nfs/dbraw/zinc/53/28/18/600532818.db2.gz UQCXXNZXAUPQNG-LJQANCHMSA-N -1 0 339.435 3.824 20 0 EHADRM C[C@@H](NC(=O)NCc1ccc(C(=O)[O-])o1)c1ccc2ccccc2c1 ZINC000736648490 600533181 /nfs/dbraw/zinc/53/31/81/600533181.db2.gz ZBRPENAWQQFCRV-GFCCVEGCSA-N -1 0 338.363 3.691 20 0 EHADRM C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccccc1C(=O)[O-] ZINC000681679920 600549937 /nfs/dbraw/zinc/54/99/37/600549937.db2.gz SZPXBCGGZLSHLP-VIFPVBQESA-N -1 0 337.734 3.583 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)NCC1(c2cccc(Cl)c2)CC1 ZINC000740047493 600550737 /nfs/dbraw/zinc/55/07/37/600550737.db2.gz UFANBVPBQISZFZ-UHFFFAOYSA-N -1 0 344.798 3.892 20 0 EHADRM C[C@@H](C(=O)N1CCCC[C@@H]1CC(=O)[O-])c1c(Cl)cccc1Cl ZINC000666364407 600553522 /nfs/dbraw/zinc/55/35/22/600553522.db2.gz YQDUUFXIWAJUMN-GHMZBOCLSA-N -1 0 344.238 3.953 20 0 EHADRM C[C@@H](CN(C(=O)[C@@H](C)c1c(Cl)cccc1Cl)C1CC1)C(=O)[O-] ZINC000666364249 600554928 /nfs/dbraw/zinc/55/49/28/600554928.db2.gz FPDFPGBBAQFSRD-UWVGGRQHSA-N -1 0 344.238 3.809 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)CCCCc1nc2ccccc2s1 ZINC000236726010 600561793 /nfs/dbraw/zinc/56/17/93/600561793.db2.gz SUNJQYXITFPHHZ-UHFFFAOYSA-N -1 0 348.468 3.721 20 0 EHADRM Cc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCC(C(=O)[O-])CC1 ZINC000263273536 600564777 /nfs/dbraw/zinc/56/47/77/600564777.db2.gz RWOFWOBVQYOUOQ-QGZVFWFLSA-N -1 0 332.444 3.588 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)NCCCCCc1ccccc1 ZINC000740046739 600578030 /nfs/dbraw/zinc/57/80/30/600578030.db2.gz PRMKMUFFTWSOOA-UHFFFAOYSA-N -1 0 326.396 3.919 20 0 EHADRM C[C@@H](CC(=O)[O-])SC[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000736553088 600585200 /nfs/dbraw/zinc/58/52/00/600585200.db2.gz RUZVMBHHWMWFPT-WMLDXEAASA-N -1 0 346.448 3.690 20 0 EHADRM Cc1nn(Cc2ccccc2)c(Cl)c1CS[C@@H](C)CC(=O)[O-] ZINC000738379641 600592269 /nfs/dbraw/zinc/59/22/69/600592269.db2.gz SEWPSGVCCOYJBK-NSHDSACASA-N -1 0 338.860 3.990 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000738252778 600593791 /nfs/dbraw/zinc/59/37/91/600593791.db2.gz JCVQQAVLYWHFOS-MRXNPFEDSA-N -1 0 341.338 3.778 20 0 EHADRM C[C@@H](CSCc1nnc(-c2c(Cl)cccc2Cl)o1)C(=O)[O-] ZINC000736618376 600595316 /nfs/dbraw/zinc/59/53/16/600595316.db2.gz OTJPIEYBOZGVHA-ZETCQYMHSA-N -1 0 347.223 3.997 20 0 EHADRM CN(C(=O)c1cc2cc(Cl)ccc2o1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737334271 600597298 /nfs/dbraw/zinc/59/72/98/600597298.db2.gz UWCOATIBXMFPLN-MRXNPFEDSA-N -1 0 343.766 3.984 20 0 EHADRM CC(C)CCC(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000486389299 600598507 /nfs/dbraw/zinc/59/85/07/600598507.db2.gz POSNMCGGLKEYGR-QGZVFWFLSA-N -1 0 327.424 3.636 20 0 EHADRM CCC/C=C/C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000736976312 600598869 /nfs/dbraw/zinc/59/88/69/600598869.db2.gz ZHMIXEQGDWMYHO-XAANGBPESA-N -1 0 325.408 3.556 20 0 EHADRM CCCc1cc(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)sc1C ZINC000737044656 600599200 /nfs/dbraw/zinc/59/92/00/600599200.db2.gz YMJRUFLLDVEODJ-INIZCTEOSA-N -1 0 331.437 3.907 20 0 EHADRM Cc1cc(C)c(/C=C/C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)cc1C ZINC000738356063 600600465 /nfs/dbraw/zinc/60/04/65/600600465.db2.gz QJDKXMRTPMVOEU-CTDFXDFQSA-N -1 0 337.419 3.909 20 0 EHADRM CCC[C@@H](C)C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000262710372 600602549 /nfs/dbraw/zinc/60/25/49/600602549.db2.gz FGHBJNXDCIEVDN-RHSMWYFYSA-N -1 0 327.424 3.636 20 0 EHADRM CCCc1sc(C(=O)N(CC(=O)[O-])c2ccccc2)cc1CC ZINC000319885247 600604487 /nfs/dbraw/zinc/60/44/87/600604487.db2.gz XJVBMTWAVZSBHS-UHFFFAOYSA-N -1 0 331.437 3.994 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)C[C@H]1CCc2ccccc21)c1ccccc1 ZINC000139391802 600609271 /nfs/dbraw/zinc/60/92/71/600609271.db2.gz WUBCDYXMROWAQX-MJGOQNOKSA-N -1 0 337.419 3.829 20 0 EHADRM CCc1cc(NC[C@@H](Cc2cccc3ccccc32)C(=O)[O-])ncn1 ZINC000737251301 600611490 /nfs/dbraw/zinc/61/14/90/600611490.db2.gz CSIFLMYKNPHQMC-MRXNPFEDSA-N -1 0 335.407 3.548 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)[C@@H]1COc2ccccc21 ZINC000327192183 600617071 /nfs/dbraw/zinc/61/70/71/600617071.db2.gz DITNLBNHJZYHKZ-MRXNPFEDSA-N -1 0 333.343 3.653 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2ccc3ncccc3c2)c1 ZINC000178799252 600621979 /nfs/dbraw/zinc/62/19/79/600621979.db2.gz WLQOCTXVDSGPHP-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM COc1cccc([C@@H](C)C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000181867448 600622054 /nfs/dbraw/zinc/62/20/54/600622054.db2.gz UILIRRLRPLSVJK-SNVBAGLBSA-N -1 0 333.771 3.789 20 0 EHADRM C[C@H]1CC(NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C[C@H](C)C1 ZINC000321055656 600623565 /nfs/dbraw/zinc/62/35/65/600623565.db2.gz YGWOBZQARMZGGW-RKDXNWHRSA-N -1 0 326.343 3.609 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)Cc2c[nH]c3ccccc23)c1 ZINC000178253753 600624236 /nfs/dbraw/zinc/62/42/36/600624236.db2.gz TWLCABDXZDWUEG-UHFFFAOYSA-N -1 0 328.755 3.701 20 0 EHADRM Cc1c(Cl)ccc2c1N(C(=O)c1cccc(C(=O)[O-])c1)CCC2 ZINC000738290635 600626398 /nfs/dbraw/zinc/62/63/98/600626398.db2.gz TYBJRXVKRILHOV-UHFFFAOYSA-N -1 0 329.783 3.940 20 0 EHADRM CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)c1ccc(C(=O)[O-])cn1 ZINC000555733376 600634476 /nfs/dbraw/zinc/63/44/76/600634476.db2.gz MGAFTDQCPSVSLU-MRXNPFEDSA-N -1 0 346.814 3.903 20 0 EHADRM Cc1cc(OCC(=O)Nc2c(C)cc(C)cc2C)c(C(=O)[O-])s1 ZINC000320773986 600639012 /nfs/dbraw/zinc/63/90/12/600639012.db2.gz ZVWFFOUCZXYAAX-UHFFFAOYSA-N -1 0 333.409 3.697 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)C(=O)[O-] ZINC000736243819 600642421 /nfs/dbraw/zinc/64/24/21/600642421.db2.gz HNIKXLVZKMUKCI-LBPRGKRZSA-N -1 0 343.210 3.704 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000736621962 600643024 /nfs/dbraw/zinc/64/30/24/600643024.db2.gz HYXUTCNQLRCJNT-NOZJJQNGSA-N -1 0 346.254 3.788 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2nc3c(s2)CCCCCC3)C1 ZINC000739573424 600660435 /nfs/dbraw/zinc/66/04/35/600660435.db2.gz BXMAABIRANJYHB-RYUDHWBXSA-N -1 0 336.457 3.632 20 0 EHADRM Cc1cccc(C2(CNC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)CCCC2)c1 ZINC000498635164 600664951 /nfs/dbraw/zinc/66/49/51/600664951.db2.gz NOGXSQOUORVDLZ-DLBZAZTESA-N -1 0 343.467 3.814 20 0 EHADRM Cc1ccc(-c2ccncc2)cc1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000738487565 600665411 /nfs/dbraw/zinc/66/54/11/600665411.db2.gz AQBYKUUHYKQCCL-IAGOWNOFSA-N -1 0 338.407 3.887 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NCC(=O)NC2CCCCCCC2)cc1 ZINC000736233228 600680614 /nfs/dbraw/zinc/68/06/14/600680614.db2.gz SGLZIEMBLSMQNL-UHFFFAOYSA-N -1 0 346.471 3.690 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2nc(-c3cccc(O)c3)cs2)s1 ZINC000740114925 600683808 /nfs/dbraw/zinc/68/38/08/600683808.db2.gz PKWMRUJIOLUWOT-UHFFFAOYSA-N -1 0 346.389 3.528 20 0 EHADRM CC[C@H](C)c1ccccc1OS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000736890871 600688677 /nfs/dbraw/zinc/68/86/77/600688677.db2.gz JFDLWXLUFZQTCB-JTQLQIEISA-N -1 0 340.422 3.728 20 0 EHADRM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)CCSCC(=O)[O-] ZINC000736723582 600692784 /nfs/dbraw/zinc/69/27/84/600692784.db2.gz HLPAEYXTSVTEKR-AWEZNQCLSA-N -1 0 335.469 3.584 20 0 EHADRM C[C@H](OC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)c1ccc(C(=O)[O-])o1 ZINC000827816958 600695819 /nfs/dbraw/zinc/69/58/19/600695819.db2.gz FHRXVXQKJRXCJZ-PEXQALLHSA-N -1 0 336.290 3.664 20 0 EHADRM O=C([O-])c1cccc(-c2noc([C@H]3C[C@@H]3c3cccc(F)c3F)n2)c1 ZINC000833328150 600698391 /nfs/dbraw/zinc/69/83/91/600698391.db2.gz YHQMJKQEFFRLQE-OLZOCXBDSA-N -1 0 342.301 3.984 20 0 EHADRM O=C([O-])c1cccc(-c2noc(Cc3c[nH]c4cc(F)ccc34)n2)c1 ZINC000833328143 600698421 /nfs/dbraw/zinc/69/84/21/600698421.db2.gz XRWOESBYSKRNGH-UHFFFAOYSA-N -1 0 337.310 3.646 20 0 EHADRM C[C@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl)C(F)(F)F ZINC000826061236 600725486 /nfs/dbraw/zinc/72/54/86/600725486.db2.gz GVSVJMAVPPFKHK-MLUIRONXSA-N -1 0 345.100 3.861 20 0 EHADRM C/C(=C/CSc1nnc2cc(C)c3cc(C)cc(C)c3n21)C(=O)[O-] ZINC000825792539 600726074 /nfs/dbraw/zinc/72/60/74/600726074.db2.gz GWVDORUZEQFMPO-WZUFQYTHSA-N -1 0 341.436 3.931 20 0 EHADRM CC(C)Oc1cccc(COC(=O)c2ccc(NC(=O)[O-])c(O)c2)c1 ZINC000827058316 600732201 /nfs/dbraw/zinc/73/22/01/600732201.db2.gz BLOMXSARGYKOPN-UHFFFAOYSA-N -1 0 345.351 3.626 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)[C@]1(C)CCc2ccccc2C1 ZINC000833025471 600735020 /nfs/dbraw/zinc/73/50/20/600735020.db2.gz MAVWVBGSPQSTOG-LJQANCHMSA-N -1 0 328.364 3.525 20 0 EHADRM C[C@H](OC(=O)[C@@H]1C[C@@]12CCCc1ccccc12)c1ccc(C(=O)[O-])o1 ZINC000827818665 600737103 /nfs/dbraw/zinc/73/71/03/600737103.db2.gz VLYAADZHODIXAJ-NRKGENKXSA-N -1 0 340.375 3.876 20 0 EHADRM O=C([O-])[C@@H](Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccccc1F ZINC000833169631 600737511 /nfs/dbraw/zinc/73/75/11/600737511.db2.gz LGNHXLRAILLKJS-YJBOKZPZSA-N -1 0 345.370 3.621 20 0 EHADRM CC(C)C[C@H](C(=O)OCC(=O)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC000736402031 600738725 /nfs/dbraw/zinc/73/87/25/600738725.db2.gz NWTUPCOYLXPFKD-HNNXBMFYSA-N -1 0 344.363 3.534 20 0 EHADRM CCc1ccccc1CNC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000737272984 600745711 /nfs/dbraw/zinc/74/57/11/600745711.db2.gz SGPSVMBNZSNWAO-UHFFFAOYSA-N -1 0 331.347 3.800 20 0 EHADRM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)NC2CCC(C(=O)[O-])CC2)C1 ZINC000263511695 600747985 /nfs/dbraw/zinc/74/79/85/600747985.db2.gz YYXKOMFRDWOAQK-PSPNYPNSSA-N -1 0 348.418 3.562 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000263514247 600748931 /nfs/dbraw/zinc/74/89/31/600748931.db2.gz ZUVBRRUTFOOCSW-UHFFFAOYSA-N -1 0 348.443 3.876 20 0 EHADRM O=C([O-])[C@@H](NCc1ccccc1OC1CCC1)c1ccccc1F ZINC000833170335 600751839 /nfs/dbraw/zinc/75/18/39/600751839.db2.gz SJHQAQKXGBUYRJ-SFHVURJKSA-N -1 0 329.371 3.673 20 0 EHADRM CC(C)(CC(=O)[O-])NC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000736311334 600778551 /nfs/dbraw/zinc/77/85/51/600778551.db2.gz PCBYGSXOAWOJGU-UHFFFAOYSA-N -1 0 349.333 3.740 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)c1 ZINC000238040409 600784560 /nfs/dbraw/zinc/78/45/60/600784560.db2.gz DBBRXIKXKUAHCM-MGPUTAFESA-N -1 0 339.366 3.757 20 0 EHADRM Cc1[nH]c(C(=O)Nc2ccc(C(F)(F)F)c(C)c2)c(C)c1C(=O)[O-] ZINC000832895482 600786226 /nfs/dbraw/zinc/78/62/26/600786226.db2.gz XWVHFNUFPBETEA-UHFFFAOYSA-N -1 0 340.301 3.909 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cccc3ccc(C)nc32)c1 ZINC000737942484 600787369 /nfs/dbraw/zinc/78/73/69/600787369.db2.gz JCSNSJNUVVCYMB-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM CC(C)(CC(=O)[O-])NC(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000736313032 600788025 /nfs/dbraw/zinc/78/80/25/600788025.db2.gz UDWVJRWEPZOBLQ-UHFFFAOYSA-N -1 0 344.392 3.539 20 0 EHADRM Cc1ccc(CC(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)s1 ZINC000776674161 600797720 /nfs/dbraw/zinc/79/77/20/600797720.db2.gz QCJNVPZPHQSVKN-CQSZACIVSA-N -1 0 337.828 3.585 20 0 EHADRM Cc1ccc(CCC(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000776676026 600803148 /nfs/dbraw/zinc/80/31/48/600803148.db2.gz ZXOQWJKBWYMTQF-KRWDZBQOSA-N -1 0 345.826 3.913 20 0 EHADRM CCC1(CNc2nc(C)nc3sc(C(=O)[O-])c(C)c32)CCOCC1 ZINC000567978388 600804136 /nfs/dbraw/zinc/80/41/36/600804136.db2.gz CTZJWAKKXQGJEA-UHFFFAOYSA-N -1 0 349.456 3.625 20 0 EHADRM Cc1sc(NC(=O)c2cccc3cnccc32)c(C(=O)[O-])c1C ZINC000833035978 600807184 /nfs/dbraw/zinc/80/71/84/600807184.db2.gz GCOGURKRWHQPHY-UHFFFAOYSA-N -1 0 326.377 3.864 20 0 EHADRM Cc1ccc2cccc(C(=O)OCc3ccc(F)cc3C(=O)[O-])c2n1 ZINC000738674892 600807399 /nfs/dbraw/zinc/80/73/99/600807399.db2.gz GGJBTTRYAWBQSL-UHFFFAOYSA-N -1 0 339.322 3.738 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(Oc3ccccc3)ccn2)s1 ZINC000833158225 600807897 /nfs/dbraw/zinc/80/78/97/600807897.db2.gz RUAZHLOTTAVOIN-UHFFFAOYSA-N -1 0 340.360 3.886 20 0 EHADRM O=C([O-])CCn1c(=O)c2ccccc2nc1SCCC1CCCC1 ZINC000739781915 600817850 /nfs/dbraw/zinc/81/78/50/600817850.db2.gz RKZJVRQBQICYBV-UHFFFAOYSA-N -1 0 346.452 3.544 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1cccc2cnccc21)c1ccccc1 ZINC000828595480 600818187 /nfs/dbraw/zinc/81/81/87/600818187.db2.gz ZNFBDEMEJMEHFM-GOSISDBHSA-N -1 0 334.375 3.745 20 0 EHADRM CN(Cc1csc(-c2cccc(C(=O)[O-])c2)n1)C[C@@H]1CCCCO1 ZINC000582306178 600819361 /nfs/dbraw/zinc/81/93/61/600819361.db2.gz DTLYRGFMPYMQSH-INIZCTEOSA-N -1 0 346.452 3.509 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N3CCC[C@H]4CCC[C@@H]43)c12 ZINC000833001377 600820577 /nfs/dbraw/zinc/82/05/77/600820577.db2.gz CXAZIETWHKUSRF-NEPJUHHUSA-N -1 0 331.441 3.775 20 0 EHADRM O=C([O-])c1cc(NCc2ncc(-c3cccs3)o2)c(F)cc1F ZINC000833301340 600826505 /nfs/dbraw/zinc/82/65/05/600826505.db2.gz XSDZFPJARPQRQQ-UHFFFAOYSA-N -1 0 336.319 3.992 20 0 EHADRM CN(Cc1csc(-c2cccc(C(=O)[O-])c2)n1)CC(F)(F)F ZINC000568060250 600829153 /nfs/dbraw/zinc/82/91/53/600829153.db2.gz XSQXYUTWFPUSQM-UHFFFAOYSA-N -1 0 330.331 3.502 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)c1 ZINC000238149728 600829420 /nfs/dbraw/zinc/82/94/20/600829420.db2.gz CGWLBNJGUQSJGM-ZYHUDNBSSA-N -1 0 335.281 3.544 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CN1C[C@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000566361307 600835040 /nfs/dbraw/zinc/83/50/40/600835040.db2.gz IACBWLLVBZTAIH-IFXJQAMLSA-N -1 0 343.423 3.865 20 0 EHADRM O=C([O-])[C@@H](Sc1nccn1Cc1ccccc1)c1ccccc1F ZINC000833171474 600835378 /nfs/dbraw/zinc/83/53/78/600835378.db2.gz YZVOGTTZZCCXCR-INIZCTEOSA-N -1 0 342.395 3.989 20 0 EHADRM Cc1oc(CN2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)cc1C(=O)[O-] ZINC000568066404 600835438 /nfs/dbraw/zinc/83/54/38/600835438.db2.gz YZYMBIVXOHJMPE-LIRRHRJNSA-N -1 0 343.423 3.865 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)cc1 ZINC000737328800 600835971 /nfs/dbraw/zinc/83/59/71/600835971.db2.gz JQHUBZOUIKIYTB-ZFWWWQNUSA-N -1 0 346.333 3.821 20 0 EHADRM O=C([O-])[C@H](NC(=O)C1CCCCCCC1)c1cc(F)ccc1F ZINC000739368919 600837811 /nfs/dbraw/zinc/83/78/11/600837811.db2.gz NAUVQROJNNKPSO-OAHLLOKOSA-N -1 0 325.355 3.567 20 0 EHADRM COC(=O)[C@H](S[C@H](C)CC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000831085149 600840147 /nfs/dbraw/zinc/84/01/47/600840147.db2.gz WWQWCJYAMSQTJV-JMCQJSRRSA-N -1 0 337.224 3.804 20 0 EHADRM C[C@@H]1CCC[C@@H](C(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)C1 ZINC000237572183 600841695 /nfs/dbraw/zinc/84/16/95/600841695.db2.gz JMINHCYDHXDYEA-TZMCWYRMSA-N -1 0 339.382 3.594 20 0 EHADRM CC(C)(C)c1ncc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)s1 ZINC000736303409 600848829 /nfs/dbraw/zinc/84/88/29/600848829.db2.gz JARROSCQIPLNTF-LLVKDONJSA-N -1 0 344.436 3.659 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)C(F)(F)c2ccc(F)cc2)c2ccccc21 ZINC000739639618 600849646 /nfs/dbraw/zinc/84/96/46/600849646.db2.gz ASDFFRMZLNUEAN-NSHDSACASA-N -1 0 349.308 3.523 20 0 EHADRM C/C(=C\C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)C(C)(C)C ZINC000825725068 600854449 /nfs/dbraw/zinc/85/44/49/600854449.db2.gz ZPQREQTWSLHZLY-ACCUITESSA-N -1 0 330.428 3.916 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000827428408 600854555 /nfs/dbraw/zinc/85/45/55/600854555.db2.gz VSHBLFXEXHHXIK-AWEZNQCLSA-N -1 0 335.419 3.688 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)C1(C)C ZINC000736344028 600854946 /nfs/dbraw/zinc/85/49/46/600854946.db2.gz QUWWZEWJMGWXIF-JOQOYGCGSA-N -1 0 327.424 3.830 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000237500243 600858917 /nfs/dbraw/zinc/85/89/17/600858917.db2.gz MDZGBXBVVXCBNS-CQSZACIVSA-N -1 0 343.398 3.751 20 0 EHADRM Cc1ccc(SCC(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000391737592 600860456 /nfs/dbraw/zinc/86/04/56/600860456.db2.gz YXGAMWAQPMTCSI-AWEZNQCLSA-N -1 0 341.432 3.692 20 0 EHADRM CCO[C@H](C)c1ncc(C(=O)Nc2cccc(NC(=O)[O-])c2)s1 ZINC000829908090 600863516 /nfs/dbraw/zinc/86/35/16/600863516.db2.gz RXLZQOMNOJNGHJ-SECBINFHSA-N -1 0 335.385 3.583 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccc(Cc3ccncc3)cc2)C1 ZINC000833185278 600871794 /nfs/dbraw/zinc/87/17/94/600871794.db2.gz GISQKHWQPJHMCR-DLBZAZTESA-N -1 0 338.407 3.502 20 0 EHADRM CC1CCN(c2ccc(NC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)cc2)CC1 ZINC000327904584 600872110 /nfs/dbraw/zinc/87/21/10/600872110.db2.gz FDPDNODQALJKQQ-HOTGVXAUSA-N -1 0 344.455 3.752 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000171789463 600873810 /nfs/dbraw/zinc/87/38/10/600873810.db2.gz FIQAUUIVFPBVGB-ZWKOTPCHSA-N -1 0 337.419 3.783 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000245983148 600873845 /nfs/dbraw/zinc/87/38/45/600873845.db2.gz PRMFTVAMEPXBJV-IIAWOOMASA-N -1 0 335.831 3.798 20 0 EHADRM CCOc1c(F)cccc1C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000830026933 600874610 /nfs/dbraw/zinc/87/46/10/600874610.db2.gz IIOSPANACGATTK-UHFFFAOYSA-N -1 0 336.294 3.706 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(C)cc(F)c2)cc1 ZINC000237351363 600874973 /nfs/dbraw/zinc/87/49/73/600874973.db2.gz QIQNRICOKAWRQP-MRXNPFEDSA-N -1 0 347.411 3.802 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cnc(C3CC3)s2)cc1 ZINC000532009754 600880365 /nfs/dbraw/zinc/88/03/65/600880365.db2.gz DBKQHMFNYMRRKW-UHFFFAOYSA-N -1 0 330.409 3.635 20 0 EHADRM CCCOc1ccc([C@H](C)NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000829528322 600885391 /nfs/dbraw/zinc/88/53/91/600885391.db2.gz VAFRLHRQOUHMPO-BPUTZDHNSA-N -1 0 333.428 3.544 20 0 EHADRM Cc1cc(S(=O)(=O)Nc2ccc3ccccc3c2)ccc1C(=O)[O-] ZINC000326370780 600885472 /nfs/dbraw/zinc/88/54/72/600885472.db2.gz FHJFVXFHZKSBDC-UHFFFAOYSA-N -1 0 341.388 3.647 20 0 EHADRM CN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000179985188 600894608 /nfs/dbraw/zinc/89/46/08/600894608.db2.gz DWZBQFSLJWKJPG-STQMWFEESA-N -1 0 343.345 3.555 20 0 EHADRM CCOc1ccc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1Cl ZINC000261988040 600895110 /nfs/dbraw/zinc/89/51/10/600895110.db2.gz BCUGLOBYDVAMMR-QWRGUYRKSA-N -1 0 325.792 3.568 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2c[nH]nc2-c2ccccc2)cc1 ZINC000826127457 600896173 /nfs/dbraw/zinc/89/61/73/600896173.db2.gz VJNDVKZZWJIMNL-UHFFFAOYSA-N -1 0 349.390 3.691 20 0 EHADRM COc1cc2ccccc2cc1C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000832112704 600898777 /nfs/dbraw/zinc/89/87/77/600898777.db2.gz WQEURBWYGHLORS-UHFFFAOYSA-N -1 0 327.361 3.860 20 0 EHADRM C/C=C\c1ccc(OCC(=O)Nc2ccc(C(=O)[O-])s2)c(OC)c1 ZINC000828543980 600900768 /nfs/dbraw/zinc/90/07/68/600900768.db2.gz ZRZKOYKMNIUFSI-ARJAWSKDSA-N -1 0 347.392 3.506 20 0 EHADRM Cc1ccc2c(CC(=O)Nc3ccc(C(=O)[O-])s3)coc2c1C ZINC000832959660 600902202 /nfs/dbraw/zinc/90/22/02/600902202.db2.gz IFKQKLOFIKAYFP-UHFFFAOYSA-N -1 0 329.377 3.991 20 0 EHADRM O=C([O-])CCCCNC(=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000238169304 600903715 /nfs/dbraw/zinc/90/37/15/600903715.db2.gz JIKOFPWNPMIWPT-UHFFFAOYSA-N -1 0 337.847 3.814 20 0 EHADRM C[C@H](CC(=O)NC(C)(C)CCC(=O)[O-])c1ccccc1C(F)(F)F ZINC000237589063 600905590 /nfs/dbraw/zinc/90/55/90/600905590.db2.gz HOQWHXCGQYDYFA-LLVKDONJSA-N -1 0 345.361 3.959 20 0 EHADRM C[C@@H](CN(C)C(=O)C1(Cc2cccc(Cl)c2)CCCC1)C(=O)[O-] ZINC000237370371 600905629 /nfs/dbraw/zinc/90/56/29/600905629.db2.gz NNXIVTXYMKDOST-ZDUSSCGKSA-N -1 0 337.847 3.622 20 0 EHADRM CC(C)CN(Cc1ccccc1F)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000630227238 600914836 /nfs/dbraw/zinc/91/48/36/600914836.db2.gz JYWIQAMPPHCZGH-GJZGRUSLSA-N -1 0 335.419 3.701 20 0 EHADRM COc1cccc(CN(CC(C)C)C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000630226080 600915142 /nfs/dbraw/zinc/91/51/42/600915142.db2.gz ACBCGPKTFIAVIA-IRXDYDNUSA-N -1 0 347.455 3.571 20 0 EHADRM Cc1nc(-c2ccccc2)ccc1C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000191026475 600920174 /nfs/dbraw/zinc/92/01/74/600920174.db2.gz WMXBPNVJAQWYHT-INIZCTEOSA-N -1 0 340.423 3.534 20 0 EHADRM CC(C)C[C@H](CNC(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2)C(=O)[O-] ZINC000391787762 600920300 /nfs/dbraw/zinc/92/03/00/600920300.db2.gz IGRCLCZNZCKAAC-SYQJFKEFSA-N -1 0 335.488 3.846 20 0 EHADRM CSc1ccc(Cl)c(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000094701732 600920666 /nfs/dbraw/zinc/92/06/66/600920666.db2.gz AZEGQGFUEDOJNA-SNVBAGLBSA-N -1 0 329.849 3.539 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000539604633 600921126 /nfs/dbraw/zinc/92/11/26/600921126.db2.gz AYRITCQWTOOVTQ-AYOQOUSVSA-N -1 0 339.435 3.806 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1)C(=O)[O-] ZINC000486289105 600922561 /nfs/dbraw/zinc/92/25/61/600922561.db2.gz ZUUPZLNJKXFELV-KZNAEPCWSA-N -1 0 331.456 3.777 20 0 EHADRM CC(C)C[C@@H](CNC(=O)CCc1ccc(-c2ccccc2)o1)C(=O)[O-] ZINC000486280259 600925203 /nfs/dbraw/zinc/92/52/03/600925203.db2.gz DMPNZJXFSMZIRK-INIZCTEOSA-N -1 0 343.423 3.742 20 0 EHADRM O=C([O-])COc1ccc(C(=O)N2CCCC3(C2)CCCCCC3)cc1 ZINC000659759438 600930395 /nfs/dbraw/zinc/93/03/95/600930395.db2.gz RREZWDYGQASZJM-UHFFFAOYSA-N -1 0 345.439 3.727 20 0 EHADRM CCCC[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)[O-] ZINC000736984499 600936110 /nfs/dbraw/zinc/93/61/10/600936110.db2.gz JPAGBLIAXKKHHF-CQSZACIVSA-N -1 0 331.441 3.880 20 0 EHADRM CCCC[C@@H](Sc1nnc(COc2ccc(C)cc2)o1)C(=O)[O-] ZINC000736984764 600937434 /nfs/dbraw/zinc/93/74/34/600937434.db2.gz KBNFMYLVUVMXPD-CYBMUJFWSA-N -1 0 336.413 3.693 20 0 EHADRM Cc1oc(COC(=O)/C=C/c2cnc(C(C)(C)C)s2)cc1C(=O)[O-] ZINC000833027728 600942369 /nfs/dbraw/zinc/94/23/69/600942369.db2.gz WVVQCUZSTCPAOC-AATRIKPKSA-N -1 0 349.408 3.797 20 0 EHADRM Cc1cccc2nc(CNc3cc(C(=O)[O-])ccc3OC(C)C)cn21 ZINC000738750603 600943457 /nfs/dbraw/zinc/94/34/57/600943457.db2.gz WPBGJCOSHSOBKI-UHFFFAOYSA-N -1 0 339.395 3.740 20 0 EHADRM Cc1c(Br)cccc1C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000832849545 600947132 /nfs/dbraw/zinc/94/71/32/600947132.db2.gz IZHGCIVRRSLMAK-UHFFFAOYSA-N -1 0 349.180 3.604 20 0 EHADRM Cc1cc(COC(=O)c2ccc(NC(=O)[O-])cc2)c2ccccc2n1 ZINC000832885489 600947173 /nfs/dbraw/zinc/94/71/73/600947173.db2.gz ONKNBRWDMGHRJK-UHFFFAOYSA-N -1 0 336.347 3.990 20 0 EHADRM O=C([O-])CN(Cc1ncc(-c2ccccc2F)o1)Cc1ccccc1 ZINC000738608912 600949704 /nfs/dbraw/zinc/94/97/04/600949704.db2.gz LYGJSHGBNWYUDZ-UHFFFAOYSA-N -1 0 340.354 3.568 20 0 EHADRM Cc1nc(-c2cccs2)sc1C(=O)O[C@@H](CC(C)C)C(=O)[O-] ZINC000832993292 600958805 /nfs/dbraw/zinc/95/88/05/600958805.db2.gz PWRKCWGDQCKOPP-JTQLQIEISA-N -1 0 339.438 3.836 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000180012805 600959305 /nfs/dbraw/zinc/95/93/05/600959305.db2.gz UMXZYZNIJJQANE-VXGBXAGGSA-N -1 0 339.819 3.957 20 0 EHADRM C[C@@H]1SCCN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)[C@@H]1c1ccccc1 ZINC000245651626 600959376 /nfs/dbraw/zinc/95/93/76/600959376.db2.gz CRVWMXFWZAQGRO-SVGFKBNWSA-N -1 0 347.480 3.583 20 0 EHADRM C[C@@H]1SCCN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)[C@H]1c1ccccc1 ZINC000180126923 600959383 /nfs/dbraw/zinc/95/93/83/600959383.db2.gz CRVWMXFWZAQGRO-PQEBFOHHSA-N -1 0 347.480 3.583 20 0 EHADRM CCO[C@@H]1C[C@@H](OC(=O)c2ccc(C(=O)[O-])s2)C12CCCCC2 ZINC000829931962 600960920 /nfs/dbraw/zinc/96/09/20/600960920.db2.gz YIODDTAACMTSGA-ZIAGYGMSSA-N -1 0 338.425 3.731 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NCC2(c3cccs3)CCCCC2)C1 ZINC000498646140 600965051 /nfs/dbraw/zinc/96/50/51/600965051.db2.gz LVPUWUXDQCVQTN-CABCVRRESA-N -1 0 349.496 3.957 20 0 EHADRM Cc1cc(NC(=O)[C@H]2SCCc3ccccc32)sc1C(=O)[O-] ZINC000832892474 600965656 /nfs/dbraw/zinc/96/56/56/600965656.db2.gz BBXONVYKYGZQBP-AWEZNQCLSA-N -1 0 333.434 3.724 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000262112810 600967838 /nfs/dbraw/zinc/96/78/38/600967838.db2.gz IBHPVDYUOFKORN-GHJWDPDVSA-N -1 0 337.391 3.836 20 0 EHADRM COc1ccc(Cl)c(NC(=S)Nc2ccc(C(=O)[O-])s2)c1 ZINC000832362479 600969747 /nfs/dbraw/zinc/96/97/47/600969747.db2.gz KAFYNRJAWOSOJN-UHFFFAOYSA-N -1 0 342.829 3.917 20 0 EHADRM Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1ccc(Cl)cc1C(=O)[O-])C2 ZINC000832905999 600970749 /nfs/dbraw/zinc/97/07/49/600970749.db2.gz ORGYLOUSNOOZKU-MRXNPFEDSA-N -1 0 345.782 3.597 20 0 EHADRM CCOc1cccc(NC(=S)Nc2ccc(CNC(=O)[O-])cc2)c1 ZINC000830104906 600970887 /nfs/dbraw/zinc/97/08/87/600970887.db2.gz ZASBXDPRTQYHOW-UHFFFAOYSA-N -1 0 345.424 3.662 20 0 EHADRM C[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(F)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000581671722 600971804 /nfs/dbraw/zinc/97/18/04/600971804.db2.gz FRLWMTBTASOECQ-NXOUGTEYSA-N -1 0 347.361 3.553 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CC[C@H](CSc3ccccc3)C2)C1 ZINC000245700222 600975357 /nfs/dbraw/zinc/97/53/57/600975357.db2.gz LOIJUUXDGQITOU-HRCADAONSA-N -1 0 347.480 3.518 20 0 EHADRM O=C([O-])c1cccc(OC(=O)c2ncoc2-c2ccccc2Cl)c1 ZINC000738691250 600995500 /nfs/dbraw/zinc/99/55/00/600995500.db2.gz JGMOCJKPBGAIMK-UHFFFAOYSA-N -1 0 343.722 3.912 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)/C=C(\C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000736868790 600996098 /nfs/dbraw/zinc/99/60/98/600996098.db2.gz AXNSITMQWQNDCJ-QQRWEJIZSA-N -1 0 343.345 3.724 20 0 EHADRM CCO[C@H](CCNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)C(C)C ZINC000829918380 600998028 /nfs/dbraw/zinc/99/80/28/600998028.db2.gz PGQJTWIFGHYMPM-CQSZACIVSA-N -1 0 342.823 3.611 20 0 EHADRM CCO[C@@H]1C[C@@H](NC(=O)Nc2cc(C(=O)[O-])ccc2C)C12CCCC2 ZINC000829925129 600998452 /nfs/dbraw/zinc/99/84/52/600998452.db2.gz NPPJHXANGBDFNW-HZPDHXFCSA-N -1 0 346.427 3.553 20 0 EHADRM C[C@@H](C(=O)N1CCc2cc(C(=O)[O-])ccc21)c1cccc(Cl)c1 ZINC000736211395 600999542 /nfs/dbraw/zinc/99/95/42/600999542.db2.gz KXBARZARVHXUJD-LLVKDONJSA-N -1 0 329.783 3.731 20 0 EHADRM CCC[C@@](C)(NC(=O)/C=C(/C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000236969486 601000941 /nfs/dbraw/zinc/00/09/41/601000941.db2.gz LWCRNUMUFRBDLY-BLIJAFNYSA-N -1 0 343.345 3.868 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)N[C@H](C(=O)[O-])c2cccs2)c1 ZINC000736343690 601007390 /nfs/dbraw/zinc/00/73/90/601007390.db2.gz OJAPBJJVPHBYAA-INIZCTEOSA-N -1 0 345.420 3.649 20 0 EHADRM CO[C@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000831512087 601007791 /nfs/dbraw/zinc/00/77/91/601007791.db2.gz WQMBYLUSMOCTBQ-OAHLLOKOSA-N -1 0 348.786 3.547 20 0 EHADRM Cc1cccc(O[C@H](C)CNC(=O)Nc2cccc(C(=O)[O-])c2C)c1 ZINC000832972965 601015866 /nfs/dbraw/zinc/01/58/66/601015866.db2.gz NAQOQGWPZRGBQW-CYBMUJFWSA-N -1 0 342.395 3.591 20 0 EHADRM Cc1cccc(O[C@H](C)CNC(=O)Nc2cccc(NC(=O)[O-])c2)c1 ZINC000832973326 601022398 /nfs/dbraw/zinc/02/23/98/601022398.db2.gz VXBQILWULKKCIO-CYBMUJFWSA-N -1 0 343.383 3.674 20 0 EHADRM CCOc1cc(C(=O)N(CCC(=O)[O-])c2cccc(F)c2)ccc1C ZINC000737182130 601028218 /nfs/dbraw/zinc/02/82/18/601028218.db2.gz IDXJHPJFGJOUIM-UHFFFAOYSA-N -1 0 345.370 3.654 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1cccc(F)c1 ZINC000262558799 601029089 /nfs/dbraw/zinc/02/90/89/601029089.db2.gz YYEUEWFBWCUBJX-GFCCVEGCSA-N -1 0 329.371 3.930 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c(C)c1 ZINC000262706505 601029186 /nfs/dbraw/zinc/02/91/86/601029186.db2.gz DJOVIRXITDISGT-UHFFFAOYSA-N -1 0 327.380 3.618 20 0 EHADRM C[C@@H]1C[C@H]1[C@H](NC(=O)CCCN(C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000736766304 601033983 /nfs/dbraw/zinc/03/39/83/601033983.db2.gz RBABKQWERSJVDR-DJSGYFEHSA-N -1 0 338.835 3.543 20 0 EHADRM C[C@@H]1Cc2ccccc2CN1C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000828516846 601037623 /nfs/dbraw/zinc/03/76/23/601037623.db2.gz UXAMKKUOEBBRBJ-LLVKDONJSA-N -1 0 343.358 3.894 20 0 EHADRM Cc1cc(NC(=O)N2CC[C@@H](Cc3ccccc3)C2)ccc1C(=O)[O-] ZINC000832894838 601041814 /nfs/dbraw/zinc/04/18/14/601041814.db2.gz OLMMLBXUUSRPNT-INIZCTEOSA-N -1 0 338.407 3.790 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(CNC(=O)[O-])cc1)Cc1cccs1 ZINC000827485947 601050992 /nfs/dbraw/zinc/05/09/92/601050992.db2.gz DSMAHCIEDVGRBE-GFCCVEGCSA-N -1 0 347.440 3.516 20 0 EHADRM CC(C)C1CCN(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)CC1 ZINC000826736530 601051187 /nfs/dbraw/zinc/05/11/87/601051187.db2.gz XCXMFIKODKOVFZ-UHFFFAOYSA-N -1 0 333.432 3.696 20 0 EHADRM Cc1[nH]c(C(=O)CN2CC[C@@H](C)C[C@@H]2c2ccco2)c(C)c1C(=O)[O-] ZINC000832844045 601053632 /nfs/dbraw/zinc/05/36/32/601053632.db2.gz LNPAJOPXGAIQAP-BXUZGUMPSA-N -1 0 344.411 3.579 20 0 EHADRM CCSCC[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000160582162 601054752 /nfs/dbraw/zinc/05/47/52/601054752.db2.gz LKFIJSCRAWBPFO-VIFPVBQESA-N -1 0 330.837 3.691 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)[C@H](C)c2cccc(Cl)c2)C(=O)[O-])cc1 ZINC000537366934 601060547 /nfs/dbraw/zinc/06/05/47/601060547.db2.gz BAPCUTNHANWARQ-CXAGYDPISA-N -1 0 345.826 3.737 20 0 EHADRM C[C@@H](CN(C)C(=O)C[C@H](Cc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000262928400 601061501 /nfs/dbraw/zinc/06/15/01/601061501.db2.gz GBWHZCZZEQCRAP-LPHOPBHVSA-N -1 0 339.435 3.582 20 0 EHADRM CC(C)C[C@H](CNC(=O)C(C)(C)c1ccc2ccccc2c1)C(=O)[O-] ZINC000736404104 601063824 /nfs/dbraw/zinc/06/38/24/601063824.db2.gz QSDHSETWPSIRIV-QGZVFWFLSA-N -1 0 341.451 3.981 20 0 EHADRM O=C([O-])[C@H](OC(=O)Cc1ccsc1)c1ccc(Cl)cc1Cl ZINC000833119947 601064033 /nfs/dbraw/zinc/06/40/33/601064033.db2.gz JXNPVPQYWYXTQZ-CYBMUJFWSA-N -1 0 345.203 3.967 20 0 EHADRM CC(C)c1ccccc1OCC(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000827139865 601065385 /nfs/dbraw/zinc/06/53/85/601065385.db2.gz UPZCKISAECFLFU-GOSISDBHSA-N -1 0 346.354 3.697 20 0 EHADRM CC/C(=C/C(=O)N(C[C@@H](C)C(=O)[O-])C1CC1)c1cccc(Cl)c1 ZINC000828549594 601065609 /nfs/dbraw/zinc/06/56/09/601065609.db2.gz MTZKDAQMFAYWHH-YGYTWAPGSA-N -1 0 335.831 3.845 20 0 EHADRM Cc1ccc(NC(=O)Cc2ccccc2Br)cc1C(=O)[O-] ZINC000237624976 601067703 /nfs/dbraw/zinc/06/77/03/601067703.db2.gz DOUZYSORSLOBEU-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM Cc1ccc2c(CCC(=O)N3C[C@H](C(=O)[O-])c4ccccc43)c[nH]c2c1 ZINC000832959795 601067945 /nfs/dbraw/zinc/06/79/45/601067945.db2.gz JUIQXTSZUAOLOF-KRWDZBQOSA-N -1 0 348.402 3.624 20 0 EHADRM CCC[C@@H](C(=O)NC[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000262466828 601068104 /nfs/dbraw/zinc/06/81/04/601068104.db2.gz JAMQKZRJVNXSIO-MSOLQXFVSA-N -1 0 325.408 3.555 20 0 EHADRM Cc1cccc(F)c1CNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000832968664 601070148 /nfs/dbraw/zinc/07/01/48/601070148.db2.gz CVQXCBSNCVVMMW-UHFFFAOYSA-N -1 0 336.750 3.807 20 0 EHADRM CC(C)c1ccc(CCC(=O)NC[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000262453435 601071279 /nfs/dbraw/zinc/07/12/79/601071279.db2.gz HNNXPCBTMQVCHJ-IBGZPJMESA-N -1 0 339.435 3.727 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccc2ccccc2c1O)c1ccccc1F ZINC000833351881 601073541 /nfs/dbraw/zinc/07/35/41/601073541.db2.gz PMZDTSPNUMCFOU-KRWDZBQOSA-N -1 0 340.306 3.667 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000316023028 601074617 /nfs/dbraw/zinc/07/46/17/601074617.db2.gz XXWUXNFLOSPCMX-LBPRGKRZSA-N -1 0 338.190 3.592 20 0 EHADRM Cc1cc(NC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)ccc1OC(C)C ZINC000832894148 601077279 /nfs/dbraw/zinc/07/72/79/601077279.db2.gz FNXYWHBNTIFWLF-HNNXBMFYSA-N -1 0 346.427 3.501 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)[C@@H]1CCc2ccccc21 ZINC000833176108 601080735 /nfs/dbraw/zinc/08/07/35/601080735.db2.gz AUQSUNUTROAJOG-QRQLOZEOSA-N -1 0 341.451 3.598 20 0 EHADRM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000357429563 601085309 /nfs/dbraw/zinc/08/53/09/601085309.db2.gz YJUBQTZSVVDUBH-SJKOYZFVSA-N -1 0 327.355 3.747 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)Nc1ncc(Cl)s1)C(=O)[O-] ZINC000736715500 601095292 /nfs/dbraw/zinc/09/52/92/601095292.db2.gz FUYSJGHCUMYTSV-SSDOTTSWSA-N -1 0 342.829 3.614 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1ccccc1 ZINC000327963538 601096955 /nfs/dbraw/zinc/09/69/55/601096955.db2.gz MMNFKEYAEIWGPA-AWEZNQCLSA-N -1 0 340.423 3.974 20 0 EHADRM COc1ccccc1[C@H](CC(C)C)NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000263561693 601107436 /nfs/dbraw/zinc/10/74/36/601107436.db2.gz CGXFIQXRWYNAFB-INMHGKMJSA-N -1 0 347.455 3.790 20 0 EHADRM C[C@H]1CCN(C(=O)c2cccc(C(=O)[O-])c2)[C@@H]1c1cccc(F)c1 ZINC000237553308 601107830 /nfs/dbraw/zinc/10/78/30/601107830.db2.gz UPOMINLHSIHJDT-SJCJKPOMSA-N -1 0 327.355 3.747 20 0 EHADRM CC[C@@H](Oc1ccccc1F)C(=O)N(CC)c1ccccc1C(=O)[O-] ZINC000829021810 601129203 /nfs/dbraw/zinc/12/92/03/601129203.db2.gz YFKPDWPAYHCNNF-MRXNPFEDSA-N -1 0 345.370 3.734 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1C[C@H](C)CC1(C)C ZINC000828368951 601131685 /nfs/dbraw/zinc/13/16/85/601131685.db2.gz IXMKVIRRTVJAJS-GFCCVEGCSA-N -1 0 334.416 3.824 20 0 EHADRM O=C([O-])C1(NC(=O)c2ccc(Oc3ccccc3)o2)CCCCC1 ZINC000237977478 601135799 /nfs/dbraw/zinc/13/57/99/601135799.db2.gz DTCWZHIRPYURLX-UHFFFAOYSA-N -1 0 329.352 3.589 20 0 EHADRM Cc1c(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)cnc2ccccc12 ZINC000431438676 601137801 /nfs/dbraw/zinc/13/78/01/601137801.db2.gz NECBEKRLSZIFFC-GOSISDBHSA-N -1 0 348.402 3.879 20 0 EHADRM Cc1ccc(NC(=O)N2CCc3cc(F)ccc3[C@H]2C)cc1C(=O)[O-] ZINC000832945844 601137919 /nfs/dbraw/zinc/13/79/19/601137919.db2.gz JCCFMYMVHLPYLM-GFCCVEGCSA-N -1 0 342.370 3.984 20 0 EHADRM Cc1c(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cnc2ccccc12 ZINC000832851207 601138621 /nfs/dbraw/zinc/13/86/21/601138621.db2.gz GQCJCUJJSLDQGG-UHFFFAOYSA-N -1 0 349.390 3.905 20 0 EHADRM CCOc1ccc(CNC(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1F ZINC000830075497 601139469 /nfs/dbraw/zinc/13/94/69/601139469.db2.gz YHARSHKQRIMATJ-UHFFFAOYSA-N -1 0 346.358 3.553 20 0 EHADRM Cc1ccc(NC(=O)NC2(c3ccc(F)cc3)CC2)cc1C(=O)[O-] ZINC000832945887 601141580 /nfs/dbraw/zinc/14/15/80/601141580.db2.gz ARSAGRWYAGRLDM-UHFFFAOYSA-N -1 0 328.343 3.643 20 0 EHADRM Cc1ccc(NC(=O)N(C)C[C@H](C)c2ccccc2)cc1C(=O)[O-] ZINC000832945322 601142296 /nfs/dbraw/zinc/14/22/96/601142296.db2.gz UPBJOUMTOLCITM-AWEZNQCLSA-N -1 0 326.396 3.961 20 0 EHADRM Cc1ccc(NC(=O)NC[C@H]2CCCO[C@H]2C(C)(C)C)cc1C(=O)[O-] ZINC000832944844 601144397 /nfs/dbraw/zinc/14/43/97/601144397.db2.gz MDTMWTGNFAZSAQ-CZUORRHYSA-N -1 0 348.443 3.656 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc(C(F)(F)F)c2F)cc1 ZINC000238122394 601145058 /nfs/dbraw/zinc/14/50/58/601145058.db2.gz WUHDTEHADGRADA-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Oc2ccc(Oc3ccccn3)cc2)C1 ZINC000833187622 601149054 /nfs/dbraw/zinc/14/90/54/601149054.db2.gz RKNATWVKWPQESI-ZIAGYGMSSA-N -1 0 341.363 3.670 20 0 EHADRM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1sccc1C(=O)[O-] ZINC000829015126 601151789 /nfs/dbraw/zinc/15/17/89/601151789.db2.gz YDLNITSXXVBYDL-NSHDSACASA-N -1 0 339.800 3.896 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2nc(-c3ccccc3F)cs2)C1 ZINC000833187747 601152509 /nfs/dbraw/zinc/15/25/09/601152509.db2.gz SXBOXKURHQCEPS-QWRGUYRKSA-N -1 0 348.399 3.779 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccc(F)cc2C(F)(F)F)C1 ZINC000833186444 601154560 /nfs/dbraw/zinc/15/45/60/601154560.db2.gz MFMXOAXYTUAGLP-RKDXNWHRSA-N -1 0 333.281 3.674 20 0 EHADRM C[C@H](OC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(OC(F)F)cc1 ZINC000827825142 601157396 /nfs/dbraw/zinc/15/73/96/601157396.db2.gz DASATENSKGWIRM-CYZMBNFOSA-N -1 0 342.338 3.783 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2cc(-c3ccccc3)ns2)C1 ZINC000833187588 601158152 /nfs/dbraw/zinc/15/81/52/601158152.db2.gz SBXYTLTVIGYLRJ-STQMWFEESA-N -1 0 330.409 3.640 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1cnc(C(C)(C)C)s1)c1ccccc1 ZINC000237626456 601165276 /nfs/dbraw/zinc/16/52/76/601165276.db2.gz RPRRFXLGCPDLNP-FZMZJTMJSA-N -1 0 346.452 3.632 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)C2CC(OCc3ccccc3)C2)cc1 ZINC000833289408 601180502 /nfs/dbraw/zinc/18/05/02/601180502.db2.gz HMVFZYRECLYTRZ-UHFFFAOYSA-N -1 0 341.363 3.677 20 0 EHADRM CCCCO[C@H]1C[C@H](NC(=O)Nc2ccc(NC(=O)[O-])cc2)C1(C)C ZINC000829413616 601191493 /nfs/dbraw/zinc/19/14/93/601191493.db2.gz WGOWOIADXIYSRF-GJZGRUSLSA-N -1 0 349.431 3.882 20 0 EHADRM O=C([O-])[C@@H](OC(=O)CCn1cccc1)c1ccc(Cl)cc1Cl ZINC000833103782 601193954 /nfs/dbraw/zinc/19/39/54/601193954.db2.gz GBCNIRWXZBORHZ-AWEZNQCLSA-N -1 0 342.178 3.554 20 0 EHADRM O=C([O-])c1cccnc1SCc1cc(F)cc(Br)c1 ZINC000093981061 601208067 /nfs/dbraw/zinc/20/80/67/601208067.db2.gz RDCRAUKYBHIUBJ-UHFFFAOYSA-N -1 0 342.189 3.974 20 0 EHADRM C[C@@H]1CC[C@@H](C)N(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC000828214917 601221467 /nfs/dbraw/zinc/22/14/67/601221467.db2.gz VZTYAJSKKCOOLJ-ZIAGYGMSSA-N -1 0 345.443 3.637 20 0 EHADRM O=C([O-])c1cc(NCc2cnn(-c3ccccc3)c2)ccc1Cl ZINC000319932426 601246701 /nfs/dbraw/zinc/24/67/01/601246701.db2.gz CVXJSAPKHVISAQ-UHFFFAOYSA-N -1 0 327.771 3.836 20 0 EHADRM C[C@@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1ccc(-c2ccccc2)cc1 ZINC000827710333 601270672 /nfs/dbraw/zinc/27/06/72/601270672.db2.gz PSLQQKQSRUOWBI-CQSZACIVSA-N -1 0 346.386 3.938 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000666361569 601276394 /nfs/dbraw/zinc/27/63/94/601276394.db2.gz BWFHZPKQCXTAOH-HUUCEWRRSA-N -1 0 347.436 3.546 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)C/C=C/c1ccc(F)cc1 ZINC000833334091 601276872 /nfs/dbraw/zinc/27/68/72/601276872.db2.gz JBGZXKFWEDVCBD-DAFODLJHSA-N -1 0 339.366 3.907 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000829014917 601280970 /nfs/dbraw/zinc/28/09/70/601280970.db2.gz UMGMWQGQHZSAQY-INIZCTEOSA-N -1 0 342.395 3.905 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2oc(C)cc2C)cc1 ZINC000237355589 601282871 /nfs/dbraw/zinc/28/28/71/601282871.db2.gz SMTIAMBYDIQBLZ-CQSZACIVSA-N -1 0 333.409 3.564 20 0 EHADRM Cc1cc(C)c(C(=O)NCc2c3ccccc3sc2C(=O)[O-])o1 ZINC000676018525 601282917 /nfs/dbraw/zinc/28/29/17/601282917.db2.gz KIDJKZZNIAIPDM-UHFFFAOYSA-N -1 0 329.377 3.739 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1cccc2[nH]ccc21 ZINC000833178709 601292140 /nfs/dbraw/zinc/29/21/40/601292140.db2.gz IIKJDSBNSMBNQV-RDTXWAMCSA-N -1 0 340.423 3.664 20 0 EHADRM CN(C(=O)c1ccnc(C(=O)[O-])c1)C1c2ccccc2-c2ccccc21 ZINC000432123792 601293191 /nfs/dbraw/zinc/29/31/91/601293191.db2.gz GMXGYERKIFMTKY-UHFFFAOYSA-N -1 0 344.370 3.622 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ccnc(C(=O)[O-])c1 ZINC000237547528 601293267 /nfs/dbraw/zinc/29/32/67/601293267.db2.gz AKGIIJUHQWTYLW-RYUDHWBXSA-N -1 0 346.814 3.697 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)c1ccnc(C(=O)[O-])c1 ZINC000832853441 601293442 /nfs/dbraw/zinc/29/34/42/601293442.db2.gz LWLMFHUCHOOBGE-UHFFFAOYSA-N -1 0 342.395 3.656 20 0 EHADRM CCc1sc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1C ZINC000237104645 601295881 /nfs/dbraw/zinc/29/58/81/601295881.db2.gz IDTNAZIGMFJOKS-MLGOLLRUSA-N -1 0 331.437 3.811 20 0 EHADRM COc1cc(Cl)ccc1C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832003950 601297773 /nfs/dbraw/zinc/29/77/73/601297773.db2.gz GRWACZDSLRDKBK-ZBEGNZNMSA-N -1 0 347.798 3.540 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(SC(F)F)cc1 ZINC000262185732 601304688 /nfs/dbraw/zinc/30/46/88/601304688.db2.gz YCAZIESJRYGYMY-UHFFFAOYSA-N -1 0 331.384 3.765 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)CCCc1ccc(Cl)cc1 ZINC000262269158 601306057 /nfs/dbraw/zinc/30/60/57/601306057.db2.gz ZVFNPRKPTYZGRV-UHFFFAOYSA-N -1 0 325.836 3.812 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Cc1c(Cl)cccc1Cl ZINC000262144076 601308337 /nfs/dbraw/zinc/30/83/37/601308337.db2.gz SITOZVVHKKOYMM-UHFFFAOYSA-N -1 0 332.227 3.686 20 0 EHADRM CC(C)[C@@H](C(=O)Nc1cc(C(=O)[O-])n(C)c1)c1cccc(Cl)c1 ZINC000826677644 601314371 /nfs/dbraw/zinc/31/43/71/601314371.db2.gz WJWOOULVRKGVBB-OAHLLOKOSA-N -1 0 334.803 3.755 20 0 EHADRM CC[C@@](C)(NCCOc1ccc(C(=O)[O-])cc1Cl)C(F)(F)F ZINC000828692989 601321932 /nfs/dbraw/zinc/32/19/32/601321932.db2.gz PLIWNLVXWDJDOR-CYBMUJFWSA-N -1 0 339.741 3.738 20 0 EHADRM Cc1ccc(NC(=S)Nc2ccc3c(c2)CCC3)cc1C(=O)[O-] ZINC000832948960 601339160 /nfs/dbraw/zinc/33/91/60/601339160.db2.gz KTHVKWHTOOKJBW-UHFFFAOYSA-N -1 0 326.421 3.991 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)Sc1ccccc1O ZINC000832917215 601347031 /nfs/dbraw/zinc/34/70/31/601347031.db2.gz VRIOJDRJHCWPCB-NSHDSACASA-N -1 0 331.393 3.518 20 0 EHADRM O=C([O-])c1cccc(OCc2noc(Cc3ccccc3Cl)n2)c1 ZINC000833332927 601365661 /nfs/dbraw/zinc/36/56/61/601365661.db2.gz FDTVKYUQNFDLEM-UHFFFAOYSA-N -1 0 344.754 3.591 20 0 EHADRM O=C([O-])c1cccc(OCc2noc(-c3ccc(Cl)s3)n2)c1 ZINC000833332662 601365742 /nfs/dbraw/zinc/36/57/42/601365742.db2.gz OXFRRLPKVMOCIM-UHFFFAOYSA-N -1 0 336.756 3.729 20 0 EHADRM C[C@@H](Cc1nc(COc2cccc(C(=O)[O-])c2)no1)c1ccccc1 ZINC000827597075 601367814 /nfs/dbraw/zinc/36/78/14/601367814.db2.gz LEHUYCFZZDRWBU-ZDUSSCGKSA-N -1 0 338.363 3.693 20 0 EHADRM O=C([O-])Nc1ccccc1OCC(=O)Nc1ccc2ccccc2c1 ZINC000833288985 601369420 /nfs/dbraw/zinc/36/94/20/601369420.db2.gz YKPIPDZATLTWKB-UHFFFAOYSA-N -1 0 336.347 3.947 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2O)c1 ZINC000833287863 601375149 /nfs/dbraw/zinc/37/51/49/601375149.db2.gz BVQFXKOYOULPCL-UHFFFAOYSA-N -1 0 340.257 3.753 20 0 EHADRM CC[C@H](NC(=S)NC(CC)(CC)CC(=O)[O-])c1cccs1 ZINC000828982643 601378232 /nfs/dbraw/zinc/37/82/32/601378232.db2.gz FVTJNEFLJVPOTD-NSHDSACASA-N -1 0 328.503 3.697 20 0 EHADRM COc1ccc(Br)c(NCc2cc(C(=O)[O-])oc2C)c1 ZINC000234957532 601390656 /nfs/dbraw/zinc/39/06/56/601390656.db2.gz KOVXHVWPEYZJNK-UHFFFAOYSA-N -1 0 340.173 3.669 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)NCCc2ccc(C(=O)[O-])cc2)cc1 ZINC000828763813 601392491 /nfs/dbraw/zinc/39/24/91/601392491.db2.gz DIDWFVSNLZQXTO-AWEZNQCLSA-N -1 0 341.407 3.535 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC000358614448 601394979 /nfs/dbraw/zinc/39/49/79/601394979.db2.gz YIMPBFWAQBAKLP-IKICRFKJSA-N -1 0 345.439 3.722 20 0 EHADRM C[C@H](C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-])c1ccc(Cl)s1 ZINC000248535214 601395151 /nfs/dbraw/zinc/39/51/51/601395151.db2.gz KAYYLYZWNOIDRB-QCNOEVLYSA-N -1 0 341.860 3.749 20 0 EHADRM C/C(=C/COC(=O)c1ccc(-c2nc3ccccc3s2)o1)C(=O)[O-] ZINC000825774145 601405681 /nfs/dbraw/zinc/40/56/81/601405681.db2.gz CHDAQIXCRDHTIC-NTMALXAHSA-N -1 0 343.360 3.744 20 0 EHADRM Cc1cccnc1C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000262802093 601409390 /nfs/dbraw/zinc/40/93/90/601409390.db2.gz RUGKKBXGRAAZTP-MRXNPFEDSA-N -1 0 340.423 3.633 20 0 EHADRM C/C(=C\COC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000825758862 601425773 /nfs/dbraw/zinc/42/57/73/601425773.db2.gz RLYXPOLBJOOMEO-PFEDMVJOSA-N -1 0 330.302 3.773 20 0 EHADRM Cc1oc(CN(C)C(=O)N[C@@H](C)c2ccc(F)c(C)c2)cc1C(=O)[O-] ZINC000832870520 601425971 /nfs/dbraw/zinc/42/59/71/601425971.db2.gz IYYXNJGUSNFRLK-NSHDSACASA-N -1 0 348.374 3.636 20 0 EHADRM C/C(=C\COC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000825758627 601427391 /nfs/dbraw/zinc/42/73/91/601427391.db2.gz MYDZAKJFZZQIEP-RUYJGKKWSA-N -1 0 330.302 3.773 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c1 ZINC000833288664 601429402 /nfs/dbraw/zinc/42/94/02/601429402.db2.gz CRSWNXQYJJRSEG-UHFFFAOYSA-N -1 0 342.370 3.935 20 0 EHADRM O=C([O-])CC1(NC(=O)c2ccc(OC3CCCCC3)cc2)CCC1 ZINC000346021548 601432371 /nfs/dbraw/zinc/43/23/71/601432371.db2.gz DGCBNCBYJVGOBW-UHFFFAOYSA-N -1 0 331.412 3.525 20 0 EHADRM Cc1nc(NC(=O)CCCCCc2ccc(O)cc2)sc1C(=O)[O-] ZINC000833003327 601435519 /nfs/dbraw/zinc/43/55/19/601435519.db2.gz KCALNHJQTLSPJZ-UHFFFAOYSA-N -1 0 348.424 3.597 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CCC1 ZINC000262510240 601438163 /nfs/dbraw/zinc/43/81/63/601438163.db2.gz KAXWPGPIHIFCFW-NEPJUHHUSA-N -1 0 342.222 3.611 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000666361575 601445499 /nfs/dbraw/zinc/44/54/99/601445499.db2.gz CEUICHPKTLFOLB-KBPBESRZSA-N -1 0 347.436 3.546 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccc(OC3CCC3)c(F)c2)C1 ZINC000180131071 601454318 /nfs/dbraw/zinc/45/43/18/601454318.db2.gz SDTJUTADMXUXGH-RYUDHWBXSA-N -1 0 335.375 3.587 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000237110624 601469862 /nfs/dbraw/zinc/46/98/62/601469862.db2.gz SHHLEHHPJLRGAT-XHBSWPGZSA-N -1 0 344.238 3.857 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C ZINC000237108503 601471145 /nfs/dbraw/zinc/47/11/45/601471145.db2.gz HFTYXRUWJJYUJM-AUUYWEPGSA-N -1 0 335.444 3.645 20 0 EHADRM CC(C)(CC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-])c1ccccc1 ZINC000262530348 601474229 /nfs/dbraw/zinc/47/42/29/601474229.db2.gz OTLALMFLXOBVQK-LJQANCHMSA-N -1 0 337.419 3.565 20 0 EHADRM Cc1[nH]ccc1C(=O)OCc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000832847549 601474676 /nfs/dbraw/zinc/47/46/76/601474676.db2.gz LWFJHXMODMBIJH-UHFFFAOYSA-N -1 0 342.376 3.502 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000262484879 601475928 /nfs/dbraw/zinc/47/59/28/601475928.db2.gz FAYYSDMADXGJON-MGPUTAFESA-N -1 0 337.419 3.699 20 0 EHADRM CCS[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000830157472 601478117 /nfs/dbraw/zinc/47/81/17/601478117.db2.gz JVMNXVBQBKJWIS-LSDHHAIUSA-N -1 0 336.457 3.879 20 0 EHADRM CCS[C@H]1CCCC[C@H]1NC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000830158320 601479653 /nfs/dbraw/zinc/47/96/53/601479653.db2.gz UCYSQVBDGWZJHT-KGLIPLIRSA-N -1 0 337.445 3.962 20 0 EHADRM Cc1ccc(C(C)C)c(OS(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000013075394 601481058 /nfs/dbraw/zinc/48/10/58/601481058.db2.gz BPJNNAXNCYSEFR-UHFFFAOYSA-N -1 0 334.393 3.584 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000391996500 601484427 /nfs/dbraw/zinc/48/44/27/601484427.db2.gz DIEGCUKILZHFKJ-UHFFFAOYSA-N -1 0 344.333 3.814 20 0 EHADRM C[C@H](C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-])c1ccc(Cl)s1 ZINC000262841949 601496913 /nfs/dbraw/zinc/49/69/13/601496913.db2.gz ZXASGLYFYCBCRR-BONVTDFDSA-N -1 0 349.839 3.716 20 0 EHADRM Cc1ccc(/C=C/CC(=O)Nc2ccc(OCC(=O)[O-])cc2C)cc1 ZINC000237797152 601499921 /nfs/dbraw/zinc/49/99/21/601499921.db2.gz GEUBZWQCRWLYOG-ONEGZZNKSA-N -1 0 339.391 3.809 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)C3CC(F)(F)C3)ccc2n1C1CC1 ZINC000832851544 601505139 /nfs/dbraw/zinc/50/51/39/601505139.db2.gz TVPIGDBNHMFZSC-UHFFFAOYSA-N -1 0 349.333 3.934 20 0 EHADRM Cc1cc(OS(=O)(=O)c2cccc3ccccc32)c(C(=O)[O-])s1 ZINC000832900596 601515766 /nfs/dbraw/zinc/51/57/66/601515766.db2.gz HJWMCSAXONZMIG-UHFFFAOYSA-N -1 0 348.401 3.676 20 0 EHADRM Cc1ccccc1[C@@H](C)NC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000237498647 601528461 /nfs/dbraw/zinc/52/84/61/601528461.db2.gz XRSAIGPZXIBAEU-OAHLLOKOSA-N -1 0 341.407 3.566 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1Cc1ncc(-c2cccs2)o1 ZINC000833195421 601548973 /nfs/dbraw/zinc/54/89/73/601548973.db2.gz DJZXEXBOJXIWBK-KRWDZBQOSA-N -1 0 340.404 3.587 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2(Cc3ccccc3)CC2)cc1Cl ZINC000238164004 601564264 /nfs/dbraw/zinc/56/42/64/601564264.db2.gz SRKYGKBKNDSXIN-UHFFFAOYSA-N -1 0 329.783 4.000 20 0 EHADRM C[C@@H]1CN(c2nc(-c3cccs3)nc3ccccc32)C[C@@H]1C(=O)[O-] ZINC000828500589 601564641 /nfs/dbraw/zinc/56/46/41/601564641.db2.gz UTNCTBWEDLTWDB-YPMHNXCESA-N -1 0 339.420 3.515 20 0 EHADRM CC1CC(C(=O)OCc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC000828156896 601568010 /nfs/dbraw/zinc/56/80/10/601568010.db2.gz UEGJUYOROABHJG-UHFFFAOYSA-N -1 0 331.393 3.598 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)/C=C\SCc1ccco1 ZINC000776589623 601571429 /nfs/dbraw/zinc/57/14/29/601571429.db2.gz ULFBHXHMQAKQRQ-XFXZXTDPSA-N -1 0 345.420 3.530 20 0 EHADRM Cc1cccc([C@H](C)C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000537364097 601587448 /nfs/dbraw/zinc/58/74/48/601587448.db2.gz QXCPTKAORIAILJ-LRDDRELGSA-N -1 0 331.799 3.694 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)Nc1cc(-c3ccccc3)on1)C2 ZINC000833324391 601588347 /nfs/dbraw/zinc/58/83/47/601588347.db2.gz CECBCACMFJGWJS-UHFFFAOYSA-N -1 0 349.346 3.588 20 0 EHADRM O=C([O-])[C@H](NC(=O)CCCc1ccc2c(c1)-c1ccccc1C2)C1CC1 ZINC000431445003 601593377 /nfs/dbraw/zinc/59/33/77/601593377.db2.gz MGNWWPQZEZAWEI-OAQYLSRUSA-N -1 0 349.430 3.560 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc(-c2ccccc2)ccc1Cl)C1CC1 ZINC000346017464 601596796 /nfs/dbraw/zinc/59/67/96/601596796.db2.gz AFXRDSKQFQMVDW-INIZCTEOSA-N -1 0 329.783 3.600 20 0 EHADRM CC(C)Oc1ccc(Cl)cc1C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000676025366 601599078 /nfs/dbraw/zinc/59/90/78/601599078.db2.gz SQJVWCIWNDRREN-UHFFFAOYSA-N -1 0 339.819 3.502 20 0 EHADRM Cc1ccc2cccc(C(=O)N[C@@H](c3ccccc3)[C@@H](C)C(=O)[O-])c2n1 ZINC000190856545 601610022 /nfs/dbraw/zinc/61/00/22/601610022.db2.gz YIHHLICKGFZPGG-RDTXWAMCSA-N -1 0 348.402 3.735 20 0 EHADRM Cc1ccc2cccc(C(=O)N[C@@H](c3ccccc3)[C@H](C)C(=O)[O-])c2n1 ZINC000190856565 601610072 /nfs/dbraw/zinc/61/00/72/601610072.db2.gz YIHHLICKGFZPGG-KBXCAEBGSA-N -1 0 348.402 3.735 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Nc1cc(F)ccc1F)c1ccccc1 ZINC000826039405 601614393 /nfs/dbraw/zinc/61/43/93/601614393.db2.gz SJHCNTYQSDPVPH-BMIGLBTASA-N -1 0 334.322 3.548 20 0 EHADRM CC(C)COc1cccc(C(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000236697644 601614644 /nfs/dbraw/zinc/61/46/44/601614644.db2.gz VCQYMTFXOZNQNS-UHFFFAOYSA-N -1 0 327.380 3.601 20 0 EHADRM Cc1ccc(F)cc1NC(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832934036 601614785 /nfs/dbraw/zinc/61/47/85/601614785.db2.gz HKWYSDAIPSFYSP-LRDDRELGSA-N -1 0 330.359 3.718 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1ccnc(Oc2ccccc2)c1 ZINC000532695115 601616010 /nfs/dbraw/zinc/61/60/10/601616010.db2.gz VHCDBPRJEJACNT-UHFFFAOYSA-N -1 0 348.358 3.753 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)CCSc1ccccc1F ZINC000238071321 601616739 /nfs/dbraw/zinc/61/67/39/601616739.db2.gz YPYOPFWBYYLKOW-UHFFFAOYSA-N -1 0 333.384 3.574 20 0 EHADRM C[C@@H](c1ccco1)N(C(=O)Nc1ccc(F)c(C(=O)[O-])c1)C1CC1 ZINC000827955782 601619545 /nfs/dbraw/zinc/61/95/45/601619545.db2.gz COZULZZFUIYDMK-JTQLQIEISA-N -1 0 332.331 3.874 20 0 EHADRM C[C@H](c1ccco1)N(C(=O)Nc1ccc(CC(=O)[O-])cc1)C1CC1 ZINC000827958539 601621742 /nfs/dbraw/zinc/62/17/42/601621742.db2.gz XCXWJVPMJYWZNV-GFCCVEGCSA-N -1 0 328.368 3.664 20 0 EHADRM C[C@@H](CNC(=O)Nc1cccc(CO[C@@H]2CCC[C@@H](C)C2)c1)C(=O)[O-] ZINC000828244803 601622007 /nfs/dbraw/zinc/62/20/07/601622007.db2.gz DCIPWFRMFCBEIT-JKIFEVAISA-N -1 0 348.443 3.624 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Nc1ccc2[nH]ccc2c1)c1ccccc1 ZINC000826038753 601622463 /nfs/dbraw/zinc/62/24/63/601622463.db2.gz HAFQBVRZBIBJIJ-PXAZEXFGSA-N -1 0 337.379 3.751 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC000830169354 601624184 /nfs/dbraw/zinc/62/41/84/601624184.db2.gz SZYRCQCLLCRNKQ-UHFFFAOYSA-N -1 0 336.800 3.798 20 0 EHADRM CN(Cc1ccc(NC(=O)N2CCC[C@H]3CCC[C@@H]32)cc1)C(=O)[O-] ZINC000830835498 601625058 /nfs/dbraw/zinc/62/50/58/601625058.db2.gz GQNWABUTTKWVQH-ZBFHGGJFSA-N -1 0 331.416 3.593 20 0 EHADRM O=C([O-])[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000136476205 601627651 /nfs/dbraw/zinc/62/76/51/601627651.db2.gz WUEYQVUMWJUTGC-OUCADQQQSA-N -1 0 342.222 3.563 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000237315037 601629164 /nfs/dbraw/zinc/62/91/64/601629164.db2.gz IOXNCIYPNYGXNG-IINYFYTJSA-N -1 0 344.238 3.638 20 0 EHADRM C/C(=C/C(=O)N1CCCC[C@@H]1C(=O)[O-])c1ccccc1C(F)(F)F ZINC000128612396 601629685 /nfs/dbraw/zinc/62/96/85/601629685.db2.gz UWOQPQNRYFZIET-IWMPZKFUSA-N -1 0 341.329 3.574 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCCCC[C@@H]2[C@H]2CCCCC2=O)c1 ZINC000821547498 601630034 /nfs/dbraw/zinc/63/00/34/601630034.db2.gz WZCMRTAKVXDOOV-IAGOWNOFSA-N -1 0 343.423 3.529 20 0 EHADRM O=C([O-])c1ccc(COc2cc([N+](=O)[O-])ccc2Cl)cc1F ZINC000318361351 601640130 /nfs/dbraw/zinc/64/01/30/601640130.db2.gz DCFCIJOIWPVLPT-UHFFFAOYSA-N -1 0 325.679 3.665 20 0 EHADRM CCCCC[C@H](NC(=O)c1cccc(-c2cscn2)c1)C(=O)[O-] ZINC000829333977 601643149 /nfs/dbraw/zinc/64/31/49/601643149.db2.gz YOJSZRXIBWYGJO-AWEZNQCLSA-N -1 0 332.425 3.573 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2cc(F)cc(C(F)(F)F)c2)c1 ZINC000238105918 601644645 /nfs/dbraw/zinc/64/46/45/601644645.db2.gz RBPVKYTYYXHALA-UHFFFAOYSA-N -1 0 345.223 3.934 20 0 EHADRM CC(C)c1nc(C2(NCc3ccc(C(=O)[O-])c(F)c3)CCCC2)no1 ZINC000827144203 601646737 /nfs/dbraw/zinc/64/67/37/601646737.db2.gz HTCQDLNNPATTLG-UHFFFAOYSA-N -1 0 347.390 3.589 20 0 EHADRM C[C@H](CSc1ccc(F)cc1)C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000827581298 601656649 /nfs/dbraw/zinc/65/66/49/601656649.db2.gz LLMPONGYANBFGD-GFCCVEGCSA-N -1 0 347.411 3.915 20 0 EHADRM Cc1ccc(OC(F)F)c(CNc2ccc(CNC(=O)[O-])cc2)c1 ZINC000832951287 601660684 /nfs/dbraw/zinc/66/06/84/601660684.db2.gz UDTSNWHYOHHTPK-UHFFFAOYSA-N -1 0 336.338 3.976 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1cc(F)cc(Cl)c1)c1ccccc1 ZINC000826039634 601678772 /nfs/dbraw/zinc/67/87/72/601678772.db2.gz WVFDIVUENBFZJU-BONVTDFDSA-N -1 0 335.762 3.671 20 0 EHADRM Cc1cc(C(=O)N2CCC3(CCCC3)CC2)cc(C)c1OCC(=O)[O-] ZINC000832861043 601680645 /nfs/dbraw/zinc/68/06/45/601680645.db2.gz TYEVQHFMWJYZKQ-UHFFFAOYSA-N -1 0 345.439 3.563 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2ccc3ccc(Cl)cc3n2)cc1 ZINC000833316187 601683297 /nfs/dbraw/zinc/68/32/97/601683297.db2.gz UEZKSFYMDYONAP-UHFFFAOYSA-N -1 0 341.750 3.943 20 0 EHADRM O=C([O-])CC1(NC(=O)CCCc2csc3ccccc23)CCC1 ZINC000262231973 601684858 /nfs/dbraw/zinc/68/48/58/601684858.db2.gz WVZOAWIXZLVOAX-UHFFFAOYSA-N -1 0 331.437 3.738 20 0 EHADRM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NCC(C)(C)C(=O)[O-] ZINC000827935036 601685767 /nfs/dbraw/zinc/68/57/67/601685767.db2.gz MGBHCNJTSFFJLV-SECBINFHSA-N -1 0 347.242 3.807 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2cccc(OC3CCCC3)c2)CCCC1 ZINC000833136744 601690210 /nfs/dbraw/zinc/69/02/10/601690210.db2.gz XVRVUGXMVZJCQD-UHFFFAOYSA-N -1 0 346.427 3.775 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCC(c3ccc(F)cc3)CC2)cc1 ZINC000833319883 601692028 /nfs/dbraw/zinc/69/20/28/601692028.db2.gz OJJYEXNAQDMAGB-UHFFFAOYSA-N -1 0 342.370 3.935 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)c1ccc(Cl)cc1 ZINC000776650976 601698703 /nfs/dbraw/zinc/69/87/03/601698703.db2.gz QIOJTPGNWIQIRM-JTQLQIEISA-N -1 0 347.585 3.531 20 0 EHADRM C[C@@H](N(C)C(=O)Nc1cccc(CSCC(=O)[O-])c1)C1(C)CC1 ZINC000827602987 601715499 /nfs/dbraw/zinc/71/54/99/601715499.db2.gz CXDKLNQVCXOSRQ-GFCCVEGCSA-N -1 0 336.457 3.657 20 0 EHADRM CCC1(CNC(=O)Nc2cccc(CSCCC(=O)[O-])c2)CC1 ZINC000829065429 601718670 /nfs/dbraw/zinc/71/86/70/601718670.db2.gz DCMJBJJNJPUXKL-UHFFFAOYSA-N -1 0 336.457 3.706 20 0 EHADRM CSCc1cc(F)ccc1CNC(=O)c1ccccc1NC(=O)[O-] ZINC000832770864 601721243 /nfs/dbraw/zinc/72/12/43/601721243.db2.gz KQXCYRVLQWQIHB-UHFFFAOYSA-N -1 0 348.399 3.709 20 0 EHADRM Cc1cccc(C)c1OCCC(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000832966071 601721965 /nfs/dbraw/zinc/72/19/65/601721965.db2.gz PONWMIZRGMXSPH-UHFFFAOYSA-N -1 0 346.354 3.653 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000832994737 601722943 /nfs/dbraw/zinc/72/29/43/601722943.db2.gz ZIIAMIKKDAVAFH-UHFFFAOYSA-N -1 0 337.372 3.769 20 0 EHADRM CCc1c(C(=O)OCc2cc(C(=O)[O-])sc2C)[nH]c(C)c1C(C)=O ZINC000830209697 601724395 /nfs/dbraw/zinc/72/43/95/601724395.db2.gz ODUNBIAWNSXQAD-UHFFFAOYSA-N -1 0 349.408 3.513 20 0 EHADRM CCc1ccc(CC)c(NC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC000830245148 601730848 /nfs/dbraw/zinc/73/08/48/601730848.db2.gz RDLLYXAKYWOUGX-OAHLLOKOSA-N -1 0 330.428 3.530 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC000826616593 601744730 /nfs/dbraw/zinc/74/47/30/601744730.db2.gz OLHHCOMXEGLHKR-UHFFFAOYSA-N -1 0 346.452 3.758 20 0 EHADRM CCC1(C(=O)O[C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)CCCC1 ZINC000829038650 601748187 /nfs/dbraw/zinc/74/81/87/601748187.db2.gz AWVBDZWWJRUABF-CYBMUJFWSA-N -1 0 347.411 3.534 20 0 EHADRM CC[C@H](NC(=O)[C@@H](Sc1ccccc1F)c1ccccc1)C(=O)[O-] ZINC000828914552 601755182 /nfs/dbraw/zinc/75/51/82/601755182.db2.gz AHPAYISXWHTVGV-HOCLYGCPSA-N -1 0 347.411 3.639 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccccc2Oc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000327560595 601772214 /nfs/dbraw/zinc/77/22/14/601772214.db2.gz DYEBCUYOBMPEDR-ZFWWWQNUSA-N -1 0 340.379 3.663 20 0 EHADRM O=C([O-])c1cccc(C(=O)N[C@@H](c2ccccc2F)C2CCCC2)n1 ZINC000833328269 601775320 /nfs/dbraw/zinc/77/53/20/601775320.db2.gz GMWHTFDNRFOGDH-QGZVFWFLSA-N -1 0 342.370 3.580 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)N2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000833288297 601781863 /nfs/dbraw/zinc/78/18/63/601781863.db2.gz KNEUQXDESIRNIA-ZDUSSCGKSA-N -1 0 343.358 3.937 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)NCCC2CCC2)c1 ZINC000833239818 601791984 /nfs/dbraw/zinc/79/19/84/601791984.db2.gz MNYZOUDOUUBOBC-UHFFFAOYSA-N -1 0 336.457 3.706 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)Oc2c(OC)cccc2C(=O)[O-])c1 ZINC000832532566 601802065 /nfs/dbraw/zinc/80/20/65/601802065.db2.gz CVASXJSLHSDELA-LBPRGKRZSA-N -1 0 344.363 3.501 20 0 EHADRM Cc1cccc(N(CC(=O)[O-])C(=O)c2cc3cccc(Cl)c3o2)n1 ZINC000832970771 601804329 /nfs/dbraw/zinc/80/43/29/601804329.db2.gz DBRXZKWHJQJERW-UHFFFAOYSA-N -1 0 344.754 3.521 20 0 EHADRM Cc1nnc(SCc2ccsc2C(=O)[O-])n1-c1ccccc1C ZINC000832976269 601806095 /nfs/dbraw/zinc/80/60/95/601806095.db2.gz LXJXIPRFTPWKQT-UHFFFAOYSA-N -1 0 345.449 3.936 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccc(CCC(F)(F)F)cc2)n1 ZINC000833328541 601806576 /nfs/dbraw/zinc/80/65/76/601806576.db2.gz MMWXSRVSYIYIGA-UHFFFAOYSA-N -1 0 338.285 3.527 20 0 EHADRM CCOC(=O)c1oc2ccccc2c1CNc1cccc(C(=O)[O-])c1 ZINC000829895221 601806703 /nfs/dbraw/zinc/80/67/03/601806703.db2.gz KRLYIUJOEJFXHI-UHFFFAOYSA-N -1 0 339.347 3.920 20 0 EHADRM O=C([O-])c1ccc(CSCc2cccc3c2OCCO3)cc1F ZINC000833317105 601813721 /nfs/dbraw/zinc/81/37/21/601813721.db2.gz OQCVUBVSRIQXGR-UHFFFAOYSA-N -1 0 334.368 3.729 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1ccc(F)c(F)c1F)c1ccccc1 ZINC000828595381 601815197 /nfs/dbraw/zinc/81/51/97/601815197.db2.gz XFEIWVMGLAFSJR-ZDUSSCGKSA-N -1 0 337.297 3.614 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)C2(c3ccc(F)cc3)CCCC2)CC1 ZINC000540781765 601821822 /nfs/dbraw/zinc/82/18/22/601821822.db2.gz MEHPXZWQRHLKCG-UHFFFAOYSA-N -1 0 347.430 3.741 20 0 EHADRM O=C([O-])c1sccc1CN1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000833348249 601823361 /nfs/dbraw/zinc/82/33/61/601823361.db2.gz FTUZBASPGPPKAH-UHFFFAOYSA-N -1 0 330.384 3.625 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC000659393104 601824241 /nfs/dbraw/zinc/82/42/41/601824241.db2.gz QKLGJAZTWXNKBT-YESZJQIVSA-N -1 0 336.476 3.632 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)N[C@@H]2CCCCc3ccccc32)CC1 ZINC000659395898 601826343 /nfs/dbraw/zinc/82/63/43/601826343.db2.gz YRVAHUFXGBSLTL-GOSISDBHSA-N -1 0 344.455 3.741 20 0 EHADRM O=C([O-])c1cc(F)c(F)cc1NCc1ncc(-c2cccs2)o1 ZINC000833299848 601831549 /nfs/dbraw/zinc/83/15/49/601831549.db2.gz VVYYUXDXWLRDBA-UHFFFAOYSA-N -1 0 336.319 3.992 20 0 EHADRM Cn1c2ccccc2nc1[C@H]1CCCN1Cc1ccsc1C(=O)[O-] ZINC000580838710 601841579 /nfs/dbraw/zinc/84/15/79/601841579.db2.gz SBAQNKWJTDJXTA-OAHLLOKOSA-N -1 0 341.436 3.670 20 0 EHADRM Cc1ccc(-c2nc(CN3CCC(CCC(=O)[O-])CC3)cs2)o1 ZINC000565099758 601842558 /nfs/dbraw/zinc/84/25/58/601842558.db2.gz WPBSHYHNKDSYQZ-UHFFFAOYSA-N -1 0 334.441 3.788 20 0 EHADRM Cc1ccc(-c2cncc(C(=O)NCc3ccc(C(=O)[O-])cc3)c2)cc1 ZINC000237736170 601844868 /nfs/dbraw/zinc/84/48/68/601844868.db2.gz STIGOHIUMHMQPY-UHFFFAOYSA-N -1 0 346.386 3.685 20 0 EHADRM CN(CC1CCCCC1)C(=O)CSCc1ccc(C(=O)[O-])s1 ZINC000830718590 601846886 /nfs/dbraw/zinc/84/68/86/601846886.db2.gz VFGCTTZHXIVDDM-UHFFFAOYSA-N -1 0 341.498 3.718 20 0 EHADRM CCN(C(=O)CSCc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000829598043 601847018 /nfs/dbraw/zinc/84/70/18/601847018.db2.gz XRKDXPKBINHJRJ-UHFFFAOYSA-N -1 0 335.450 3.733 20 0 EHADRM Cc1ccc(-c2cncc(C(=O)OCc3ccc(C(=O)[O-])o3)c2)cc1 ZINC000832907588 601848630 /nfs/dbraw/zinc/84/86/30/601848630.db2.gz XTMLXYPOCZGLOS-UHFFFAOYSA-N -1 0 337.331 3.705 20 0 EHADRM Cc1cc([C@H](C)NC(=O)NCc2cccc(C(=O)[O-])c2)c(C)s1 ZINC000320773603 601849737 /nfs/dbraw/zinc/84/97/37/601849737.db2.gz GZJNBBXHFLSLPI-NSHDSACASA-N -1 0 332.425 3.624 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c(Cl)cc1F ZINC000237752966 601856005 /nfs/dbraw/zinc/85/60/05/601856005.db2.gz SMJLMIJJODARGN-HNNXBMFYSA-N -1 0 335.762 3.733 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)[C@@H]2C[C@H]2Cc2ccccc2)cc1 ZINC000833262074 601875296 /nfs/dbraw/zinc/87/52/96/601875296.db2.gz ATRGLUJCWXQLKQ-RHSMWYFYSA-N -1 0 342.416 3.648 20 0 EHADRM C[C@H](C(=O)Oc1ccc(SCC(=O)[O-])cc1)c1cccc(F)c1 ZINC000826071056 601876225 /nfs/dbraw/zinc/87/62/25/601876225.db2.gz HLHXHIKHKHRCGV-NSHDSACASA-N -1 0 334.368 3.712 20 0 EHADRM Cc1nc(Cl)sc1C(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC000833000968 601878523 /nfs/dbraw/zinc/87/85/23/601878523.db2.gz SHVMTEMBWYNRTP-UHFFFAOYSA-N -1 0 343.813 3.501 20 0 EHADRM CCCCOc1ccc(NC(=O)C2(NC(=O)[O-])CCCC2)c(C)c1 ZINC000739338070 601889173 /nfs/dbraw/zinc/88/91/73/601889173.db2.gz AMTKZNJOHGSXPX-UHFFFAOYSA-N -1 0 334.416 3.693 20 0 EHADRM CC1(C)CN(C(=O)[C@@H](NC(=O)[O-])c2ccccc2)[C@@H]1c1ccccc1 ZINC000739063187 601897829 /nfs/dbraw/zinc/89/78/29/601897829.db2.gz HVQGNURRCWNLDO-DLBZAZTESA-N -1 0 338.407 3.605 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)c1cnc(Cl)c(Cl)c1 ZINC000833129758 601900620 /nfs/dbraw/zinc/90/06/20/601900620.db2.gz CNFCSXFPJDCSFC-CMPLNLGQSA-N -1 0 345.226 3.542 20 0 EHADRM CSCc1ccc(C(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])cc1 ZINC000537410690 601908439 /nfs/dbraw/zinc/90/84/39/601908439.db2.gz IGRLEYFMMLDZKQ-CVEARBPZSA-N -1 0 335.469 3.703 20 0 EHADRM CC(C)OCc1ccc(C(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])cc1 ZINC000262053397 601908996 /nfs/dbraw/zinc/90/89/96/601908996.db2.gz CDUWULVUYDWANL-ZWKOTPCHSA-N -1 0 347.455 3.765 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000237538909 601917085 /nfs/dbraw/zinc/91/70/85/601917085.db2.gz QMQJKVBYIYTAPV-NSHDSACASA-N -1 0 349.839 3.835 20 0 EHADRM CC(C)[C@H](CC(=O)NCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000532254540 601928473 /nfs/dbraw/zinc/92/84/73/601928473.db2.gz LCYPOUQNDJLNFZ-SFHVURJKSA-N -1 0 325.408 3.831 20 0 EHADRM COc1cccc(N(CC(C)C)C(=O)C2CCC(NC(=O)[O-])CC2)c1 ZINC000739950350 601928474 /nfs/dbraw/zinc/92/84/74/601928474.db2.gz MHBWIHDHPYVOEY-UHFFFAOYSA-N -1 0 348.443 3.511 20 0 EHADRM CC[C@H](NC(=O)[O-])C(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1 ZINC000739520517 601928585 /nfs/dbraw/zinc/92/85/85/601928585.db2.gz FHFDULPPTXVRSM-ZFWWWQNUSA-N -1 0 346.452 3.884 20 0 EHADRM CC[C@](NC(=O)c1cc(C)c(F)cc1Cl)(C(=O)[O-])c1ccccc1 ZINC000553757502 601928660 /nfs/dbraw/zinc/92/86/60/601928660.db2.gz RYMPQZKOVNLBJH-GOSISDBHSA-N -1 0 349.789 3.907 20 0 EHADRM O=C([O-])Nc1cc(C(=O)NC2CCCCC2)cc(C(F)(F)F)c1 ZINC000833281678 601950544 /nfs/dbraw/zinc/95/05/44/601950544.db2.gz LXLDUDVGZGTMQM-UHFFFAOYSA-N -1 0 330.306 3.858 20 0 EHADRM CCC[C@H]1CCc2ccccc2N1Cc1noc(CCCC(=O)[O-])n1 ZINC000829267789 601954817 /nfs/dbraw/zinc/95/48/17/601954817.db2.gz WSIBIHGTSCKKKL-HNNXBMFYSA-N -1 0 343.427 3.598 20 0 EHADRM O=C([O-])Cc1cccc(NCc2c(F)c(F)c(F)c(F)c2F)c1 ZINC000738631049 601967879 /nfs/dbraw/zinc/96/78/79/601967879.db2.gz XYSATIBMWZJEAQ-UHFFFAOYSA-N -1 0 331.240 3.621 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000261607842 601982471 /nfs/dbraw/zinc/98/24/71/601982471.db2.gz CZSNYHXASIQPPL-LJQANCHMSA-N -1 0 340.379 3.807 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2ccccc2Br)s1 ZINC000833315925 601997792 /nfs/dbraw/zinc/99/77/92/601997792.db2.gz LILRFBHWLOGRGS-UHFFFAOYSA-N -1 0 341.182 3.566 20 0 EHADRM CC(C)c1ccccc1OCC(=O)OCc1ccc(C(=O)[O-])s1 ZINC000827139834 601997862 /nfs/dbraw/zinc/99/78/62/601997862.db2.gz RVUQKCKDNIDZNB-UHFFFAOYSA-N -1 0 334.393 3.692 20 0 EHADRM CC(C)(CCc1ccccc1)NC(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000738748089 601998875 /nfs/dbraw/zinc/99/88/75/601998875.db2.gz VZKHRGKYKKUSTF-UHFFFAOYSA-N -1 0 340.423 3.595 20 0 EHADRM CN(C(=O)CCC(C)(C)C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830472257 602000368 /nfs/dbraw/zinc/00/03/68/602000368.db2.gz QLFTXOZDBPORSO-AWEZNQCLSA-N -1 0 331.334 3.514 20 0 EHADRM Cc1cccc(NC(=O)N2CCCC[C@@H]2[C@H]2CCCN2C(=O)[O-])c1 ZINC000740172345 602004358 /nfs/dbraw/zinc/00/43/58/602004358.db2.gz XCNMVLXQJYUZSW-HZPDHXFCSA-N -1 0 331.416 3.524 20 0 EHADRM Cc1ccc(SC2(C(=O)N3CC[C@@](C)(C(=O)[O-])C3)CCCC2)cc1 ZINC000237861174 602014562 /nfs/dbraw/zinc/01/45/62/602014562.db2.gz FZAFLZFPNXQGKJ-GOSISDBHSA-N -1 0 347.480 3.723 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N[C@@H]2CC=CCC2)cc(C(F)(F)F)c1 ZINC000833281683 602016141 /nfs/dbraw/zinc/01/61/41/602016141.db2.gz MLMAWYIJGSVXSO-LLVKDONJSA-N -1 0 328.290 3.634 20 0 EHADRM CCOCCC1(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)CCCC1 ZINC000829989367 602017417 /nfs/dbraw/zinc/01/74/17/602017417.db2.gz AGEIDNMOBJOWKA-OAHLLOKOSA-N -1 0 345.439 3.579 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)c1csc(Br)c1 ZINC000238107086 602021936 /nfs/dbraw/zinc/02/19/36/602021936.db2.gz JFFUIZHUBDJPCQ-UHFFFAOYSA-N -1 0 348.262 3.666 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)c1ccc(Br)cc1 ZINC000039137524 602022218 /nfs/dbraw/zinc/02/22/18/602022218.db2.gz VTPOKFBRNRFGKF-UHFFFAOYSA-N -1 0 342.233 3.604 20 0 EHADRM CC(C)n1cc(NC(=O)c2cc3ccccc3cc2NC(=O)[O-])cn1 ZINC000738886613 602025371 /nfs/dbraw/zinc/02/53/71/602025371.db2.gz SQSCDZLIGLXVPS-UHFFFAOYSA-N -1 0 338.367 3.959 20 0 EHADRM COc1c(C)ccc(NC(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])c1C ZINC000831847653 602029800 /nfs/dbraw/zinc/02/98/00/602029800.db2.gz QFFFPLMVNYTDBY-HOCLYGCPSA-N -1 0 348.443 3.857 20 0 EHADRM COc1c(C)ccc(NC(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])c1C ZINC000831847596 602029804 /nfs/dbraw/zinc/02/98/04/602029804.db2.gz QFFFPLMVNYTDBY-GDBMZVCRSA-N -1 0 348.443 3.857 20 0 EHADRM CC(C)COc1cccc(NC(=O)NCc2cccc(C(=O)[O-])c2)c1 ZINC000826905439 602032714 /nfs/dbraw/zinc/03/27/14/602032714.db2.gz KYYUGLKWLCHOBS-UHFFFAOYSA-N -1 0 342.395 3.741 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)Nc1cccc(F)c1F ZINC000833158957 602036305 /nfs/dbraw/zinc/03/63/05/602036305.db2.gz RLUZMMVZPQDDIE-JQWIXIFHSA-N -1 0 326.343 3.510 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)Nc1cccc(F)c1F ZINC000833158959 602036340 /nfs/dbraw/zinc/03/63/40/602036340.db2.gz RLUZMMVZPQDDIE-ZYHUDNBSSA-N -1 0 326.343 3.510 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2cc(Cl)ccc2NC2CC2)C1 ZINC000833186739 602047616 /nfs/dbraw/zinc/04/76/16/602047616.db2.gz NWARLYYXKRGESV-MNOVXSKESA-N -1 0 336.819 3.744 20 0 EHADRM C[C@H](NC(=O)Nc1cccc(C(F)F)c1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738991641 602050941 /nfs/dbraw/zinc/05/09/41/602050941.db2.gz VBGMDORNJNHGFR-JQWIXIFHSA-N -1 0 341.358 3.524 20 0 EHADRM O=C([O-])NC1(CNC(=O)Nc2cccc(C(F)F)c2)CCCCC1 ZINC000740547397 602052496 /nfs/dbraw/zinc/05/24/96/602052496.db2.gz HGFWHIYLBMJEGM-UHFFFAOYSA-N -1 0 341.358 3.716 20 0 EHADRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)[C@H]1CC12CCC2 ZINC000832848069 602054457 /nfs/dbraw/zinc/05/44/57/602054457.db2.gz MSWXTVLYXLSVLF-SNVBAGLBSA-N -1 0 338.201 3.584 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)N[C@@H]1CCCOc2ccccc21 ZINC000833225526 602065598 /nfs/dbraw/zinc/06/55/98/602065598.db2.gz XFZILBYZBYDMRW-MRXNPFEDSA-N -1 0 348.443 3.625 20 0 EHADRM C[C@H]1CCc2sc(C(=O)Nc3cccc(CC(=O)[O-])c3)cc2C1 ZINC000237718940 602066895 /nfs/dbraw/zinc/06/68/95/602066895.db2.gz HEHXFJTWSFRMBL-NSHDSACASA-N -1 0 329.421 3.752 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)[C@@H]2CCSc3ccccc32)c1 ZINC000676210781 602074359 /nfs/dbraw/zinc/07/43/59/602074359.db2.gz WLMWDPRLPIHKNW-OAHLLOKOSA-N -1 0 327.405 3.532 20 0 EHADRM CCCCO[C@@H](C)C(=O)O[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000829413848 602084579 /nfs/dbraw/zinc/08/45/79/602084579.db2.gz YOCMIPHBYKZZTH-TVQRCGJNSA-N -1 0 349.210 3.868 20 0 EHADRM CSC[C@H](C)C(=O)O[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000832753373 602086460 /nfs/dbraw/zinc/08/64/60/602086460.db2.gz KOPIGAGFGIEVPU-CPCISQLKSA-N -1 0 337.224 3.661 20 0 EHADRM O=C([O-])[C@@H](OC(=O)C[C@H]1CCCCO1)c1cc(Cl)cc(Cl)c1 ZINC000833094248 602089255 /nfs/dbraw/zinc/08/92/55/602089255.db2.gz SZAGFPYPUGUBPX-OCCSQVGLSA-N -1 0 347.194 3.622 20 0 EHADRM C[C@H](CC(=O)[O-])c1nc(-c2cccc(NC(=O)OC(C)(C)C)c2)no1 ZINC000205389846 602103487 /nfs/dbraw/zinc/10/34/87/602103487.db2.gz WULGDRYIHAVVCW-SNVBAGLBSA-N -1 0 347.371 3.662 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Nc2cc(-c3ccccc3)on2)c1 ZINC000833268141 602107021 /nfs/dbraw/zinc/10/70/21/602107021.db2.gz YVJPTXIPHLCZKM-UHFFFAOYSA-N -1 0 337.335 3.613 20 0 EHADRM CCOCCC1(C(=O)Nc2cc(C)c(C(=O)[O-])s2)CCCC1 ZINC000829990347 602109644 /nfs/dbraw/zinc/10/96/44/602109644.db2.gz WLPYMFHCHIQYSR-UHFFFAOYSA-N -1 0 325.430 3.680 20 0 EHADRM CCC[C@](C)(NC(=O)[O-])C(=O)Nc1ccc2oc(C(C)C)nc2c1 ZINC000739296995 602121969 /nfs/dbraw/zinc/12/19/69/602121969.db2.gz QUCLTOZKZPOQFJ-KRWDZBQOSA-N -1 0 333.388 3.716 20 0 EHADRM N#Cc1cc(C(F)(F)F)ccc1N1CCC(CCC(=O)[O-])CC1 ZINC000320239349 602133642 /nfs/dbraw/zinc/13/36/42/602133642.db2.gz AOJUONWNCDXWQK-UHFFFAOYSA-N -1 0 326.318 3.658 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000237055202 602140270 /nfs/dbraw/zinc/14/02/70/602140270.db2.gz WYRBDIGGJVISSQ-QGZVFWFLSA-N -1 0 333.428 3.770 20 0 EHADRM CC(C)[C@H](NC(=O)[C@@H](C)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000827270885 602141035 /nfs/dbraw/zinc/14/10/35/602141035.db2.gz FEIJYBAMACLQPR-HZMBPMFUSA-N -1 0 331.334 3.630 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(NC[C@]3(C)CCCS3)c12 ZINC000833002868 602142883 /nfs/dbraw/zinc/14/28/83/602142883.db2.gz HZRMBKSSVVLWOJ-HNNXBMFYSA-N -1 0 337.470 3.704 20 0 EHADRM CCC[C@](C)(NC(=O)[O-])C(=O)Nc1ccc(Oc2ccncc2)cc1 ZINC000739300083 602145132 /nfs/dbraw/zinc/14/51/32/602145132.db2.gz HKLNUBKIWDNKQF-SFHVURJKSA-N -1 0 343.383 3.639 20 0 EHADRM Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)[C@@H](C)CC(=O)[O-] ZINC000832900535 602146103 /nfs/dbraw/zinc/14/61/03/602146103.db2.gz DQWPPUMLNMPRMB-ZDUSSCGKSA-N -1 0 345.370 3.762 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000827317130 602167555 /nfs/dbraw/zinc/16/75/55/602167555.db2.gz IPBNFAZLSLCPMF-ZETCQYMHSA-N -1 0 337.775 3.747 20 0 EHADRM COc1cc(OC)cc([C@H](Nc2cccc([C@@H](C)OC)c2)C(=O)[O-])c1 ZINC000832067836 602170774 /nfs/dbraw/zinc/17/07/74/602170774.db2.gz SDZZTEMDYITHHE-XIKOKIGWSA-N -1 0 345.395 3.649 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)c1cccc(Nc2ncccn2)c1 ZINC000740714918 602176958 /nfs/dbraw/zinc/17/69/58/602176958.db2.gz CEXWBJLUCZOPCR-UHFFFAOYSA-N -1 0 349.350 3.562 20 0 EHADRM Cc1ccc(OCCC(=O)Nc2ccccc2NC(=O)[O-])cc1C ZINC000740147364 602179874 /nfs/dbraw/zinc/17/98/74/602179874.db2.gz MOLJBZIGEGEZES-UHFFFAOYSA-N -1 0 328.368 3.801 20 0 EHADRM Cc1cc(C)cc(OCCC(=O)Nc2ccccc2NC(=O)[O-])c1 ZINC000740066954 602180043 /nfs/dbraw/zinc/18/00/43/602180043.db2.gz FWUJNIWLNCZBPF-UHFFFAOYSA-N -1 0 328.368 3.801 20 0 EHADRM Cc1oc(-c2cccs2)nc1CC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000191345477 602181884 /nfs/dbraw/zinc/18/18/84/602181884.db2.gz DQKBZROEJMRDQA-UHFFFAOYSA-N -1 0 348.405 3.652 20 0 EHADRM C[C@@H](CC(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccc(F)cc1 ZINC000738890987 602198896 /nfs/dbraw/zinc/19/88/96/602198896.db2.gz LSKNOZSXTXNZHQ-LBPRGKRZSA-N -1 0 330.359 3.726 20 0 EHADRM C[C@@H](OC(=O)c1ccc(NC(=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000736692801 602213819 /nfs/dbraw/zinc/21/38/19/602213819.db2.gz XHIFWKPNPFKULJ-SNVBAGLBSA-N -1 0 325.324 3.571 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)[C@@H]1C ZINC000828278874 602224039 /nfs/dbraw/zinc/22/40/39/602224039.db2.gz STYXSCCEBVUVQR-CHWSQXEVSA-N -1 0 342.395 3.565 20 0 EHADRM CCC[C@@H](C)N(C)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000829215301 602224158 /nfs/dbraw/zinc/22/41/58/602224158.db2.gz AHOQTBOPKQWPOZ-CYBMUJFWSA-N -1 0 344.411 3.956 20 0 EHADRM CC(C)CCN(C)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000826848959 602227184 /nfs/dbraw/zinc/22/71/84/602227184.db2.gz OTZDQMGONPFDIK-UHFFFAOYSA-N -1 0 344.411 3.813 20 0 EHADRM C[C@H]1CCCC[C@H]1NC(=S)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739098359 602234880 /nfs/dbraw/zinc/23/48/80/602234880.db2.gz KENXZRXHXFFCHF-SMDDNHRTSA-N -1 0 333.457 3.592 20 0 EHADRM C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000828528441 602236907 /nfs/dbraw/zinc/23/69/07/602236907.db2.gz UHQLRNPLLBDUPP-SNVBAGLBSA-N -1 0 346.333 3.814 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)c3cncc4ccccc43)ccc21 ZINC000740467071 602238220 /nfs/dbraw/zinc/23/82/20/602238220.db2.gz RLCJDFAZTSUTOE-UHFFFAOYSA-N -1 0 333.347 3.528 20 0 EHADRM CCn1c(SCc2ccoc2C(=O)[O-])nnc1-c1ccc(F)cc1 ZINC000830416301 602239521 /nfs/dbraw/zinc/23/95/21/602239521.db2.gz PDYTZCVOVYZKJH-UHFFFAOYSA-N -1 0 347.371 3.688 20 0 EHADRM Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000740031823 602240145 /nfs/dbraw/zinc/24/01/45/602240145.db2.gz AUDXFLYAPUBRBY-UHFFFAOYSA-N -1 0 349.390 3.698 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)[C@H]3CCCc4ccccc43)ccc21 ZINC000740471895 602241033 /nfs/dbraw/zinc/24/10/33/602241033.db2.gz OREVUISAQFCHMJ-KRWDZBQOSA-N -1 0 336.391 3.786 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)c3cc4ccsc4[nH]3)ccc21 ZINC000740471611 602252922 /nfs/dbraw/zinc/25/29/22/602252922.db2.gz XCCMJAOPYKXGQF-UHFFFAOYSA-N -1 0 327.365 3.522 20 0 EHADRM CCCCC[C@@H](NC(=O)N1CC[C@@H](CNC(=O)[O-])C1)c1ccccc1 ZINC000739330177 602260836 /nfs/dbraw/zinc/26/08/36/602260836.db2.gz LHSFKJCUWOMYNO-DOTOQJQBSA-N -1 0 347.459 3.607 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)N3CCC[C@H]3C3CCCC3)ccc21 ZINC000740529097 602277640 /nfs/dbraw/zinc/27/76/40/602277640.db2.gz HNQFMVNIIUSJLZ-INIZCTEOSA-N -1 0 343.427 3.914 20 0 EHADRM C[C@@H](OC(=O)C1CCN(C(=O)[O-])CC1)c1ccc(C(F)(F)F)cc1 ZINC000737702334 602283858 /nfs/dbraw/zinc/28/38/58/602283858.db2.gz CKMSNANOSFIIIA-SNVBAGLBSA-N -1 0 345.317 3.700 20 0 EHADRM COc1ccc([C@@H]2CCCN2C(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000832272605 602290152 /nfs/dbraw/zinc/29/01/52/602290152.db2.gz IJRBFVXASIJJAH-AWEZNQCLSA-N -1 0 346.408 3.824 20 0 EHADRM O=C([O-])c1csc(NC(=O)N2CCC[C@H]2Cc2ccccc2)c1 ZINC000833341985 602290533 /nfs/dbraw/zinc/29/05/33/602290533.db2.gz BYVXFVUVEDTTLL-AWEZNQCLSA-N -1 0 330.409 3.685 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000740706145 602293095 /nfs/dbraw/zinc/29/30/95/602293095.db2.gz ZVUMCSKSGQDONS-UHFFFAOYSA-N -1 0 328.221 3.585 20 0 EHADRM O=C([O-])NCCC(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1 ZINC000738654936 602296131 /nfs/dbraw/zinc/29/61/31/602296131.db2.gz FSCPDKQGLCJLNU-UHFFFAOYSA-N -1 0 336.750 3.742 20 0 EHADRM CCC[C@H](NC(=O)CNc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000829223084 602301784 /nfs/dbraw/zinc/30/17/84/602301784.db2.gz KZFSMHPQCOURTR-KRWDZBQOSA-N -1 0 344.386 3.593 20 0 EHADRM C[C@H]1CC[C@@H](CC(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)C1 ZINC000828221338 602314236 /nfs/dbraw/zinc/31/42/36/602314236.db2.gz NBAXBNYHSQGFTE-QWHCGFSZSA-N -1 0 339.382 3.594 20 0 EHADRM CC(C)C[C@@H]1CCCN(C(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000826832077 602325275 /nfs/dbraw/zinc/32/52/75/602325275.db2.gz LCKDSZGZCSBPNZ-INIZCTEOSA-N -1 0 347.459 3.787 20 0 EHADRM CSCC[C@H](NC(=O)[O-])C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000740010489 602330291 /nfs/dbraw/zinc/33/02/91/602330291.db2.gz HBPNLTRGJNDYKL-INIZCTEOSA-N -1 0 344.436 3.681 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)c2cc(-c3ccc(F)cc3)on2)cc1 ZINC000833290180 602341681 /nfs/dbraw/zinc/34/16/81/602341681.db2.gz PFUDLQUEODTKJM-UHFFFAOYSA-N -1 0 342.282 3.790 20 0 EHADRM C[C@H](NC(=O)C1CCC(NC(=O)[O-])CC1)c1ccc2ccccc2c1 ZINC000738955323 602341779 /nfs/dbraw/zinc/34/17/79/602341779.db2.gz SNBWIPWZDHBQLP-UQHVZDHRSA-N -1 0 340.423 3.843 20 0 EHADRM CCC(=CC(=O)Nc1cc(C(=O)[O-])c(F)cc1Br)CC ZINC000828548910 602348530 /nfs/dbraw/zinc/34/85/30/602348530.db2.gz HDSWLZNPKOPYPE-UHFFFAOYSA-N -1 0 344.180 3.971 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)cc1F ZINC000776645750 602353890 /nfs/dbraw/zinc/35/38/90/602353890.db2.gz AZNVVCKTQFQSIA-NWDGAFQWSA-N -1 0 335.281 3.544 20 0 EHADRM CCOc1ccc([C@H]2CCCN2C(=O)CCN(C(=O)[O-])C(C)C)cc1 ZINC000739496816 602355077 /nfs/dbraw/zinc/35/50/77/602355077.db2.gz KNUATMLDZCGKEH-QGZVFWFLSA-N -1 0 348.443 3.527 20 0 EHADRM CC(C)COc1ccc(CC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000767201061 602355235 /nfs/dbraw/zinc/35/52/35/602355235.db2.gz LBUMNHNJJKCOQN-UHFFFAOYSA-N -1 0 345.370 3.740 20 0 EHADRM Cn1cc(NC(=O)NC(c2ccccc2)c2ccccc2)cc1C(=O)[O-] ZINC000833048199 602355367 /nfs/dbraw/zinc/35/53/67/602355367.db2.gz FHCZUSYCQWKKAH-UHFFFAOYSA-N -1 0 349.390 3.634 20 0 EHADRM CC(C)(C)CN(Cc1ccccc1)C(=O)C1CCC(NC(=O)[O-])CC1 ZINC000738697655 602357962 /nfs/dbraw/zinc/35/79/62/602357962.db2.gz HXFIPAXHCKCXLE-UHFFFAOYSA-N -1 0 346.471 3.888 20 0 EHADRM CCC[C@H](NC(=O)[O-])C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000739319741 602371597 /nfs/dbraw/zinc/37/15/97/602371597.db2.gz AGIYSLFIRMDNQN-INIZCTEOSA-N -1 0 327.384 3.805 20 0 EHADRM CN(C(=O)Nc1ccc(C(=O)[O-])c(F)c1)[C@@H]1CCc2ccccc2C1 ZINC000830499727 602374467 /nfs/dbraw/zinc/37/44/67/602374467.db2.gz BFJGNHXHAOJYID-OAHLLOKOSA-N -1 0 342.370 3.545 20 0 EHADRM CCOc1cccc([C@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000830100262 602377206 /nfs/dbraw/zinc/37/72/06/602377206.db2.gz ZUUIZGZVWDARAN-NSHDSACASA-N -1 0 346.358 3.805 20 0 EHADRM COc1ccc([C@H](C)N(C)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000832221060 602378711 /nfs/dbraw/zinc/37/87/11/602378711.db2.gz ROAZUMOAPMTHIS-NSHDSACASA-N -1 0 346.358 3.757 20 0 EHADRM CN(C(=O)Nc1ccc(C(=O)[O-])c(F)c1)[C@@H]1CCc2ccccc21 ZINC000830500147 602378759 /nfs/dbraw/zinc/37/87/59/602378759.db2.gz LUAVFMGBRBYYGT-MRXNPFEDSA-N -1 0 328.343 3.675 20 0 EHADRM CCC[C@@H](NC(=O)[O-])C(=O)N(C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000739302054 602381235 /nfs/dbraw/zinc/38/12/35/602381235.db2.gz HLGWONFUGSRKDB-GXFFZTMASA-N -1 0 346.349 3.661 20 0 EHADRM CC(C)c1cccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])n1 ZINC000827129849 602391317 /nfs/dbraw/zinc/39/13/17/602391317.db2.gz XKPSODKOGOVATB-MAUKXSAKSA-N -1 0 344.455 3.701 20 0 EHADRM Cc1cc(C)cc(C2(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)CC2)c1 ZINC000767199012 602393709 /nfs/dbraw/zinc/39/37/09/602393709.db2.gz BFQRYRTWPNBOCU-UHFFFAOYSA-N -1 0 327.355 3.811 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCn2ccc3ccccc32)cc1F ZINC000767199503 602395326 /nfs/dbraw/zinc/39/53/26/602395326.db2.gz GUSWKTJPLZROCY-UHFFFAOYSA-N -1 0 326.327 3.507 20 0 EHADRM COc1ccccc1C/C(C)=C\C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000776648059 602395732 /nfs/dbraw/zinc/39/57/32/602395732.db2.gz YBEZORZORATYAT-BENRWUELSA-N -1 0 343.354 3.660 20 0 EHADRM Cc1ccc(CCCCC(=O)N2CCC([C@@H](C)NC(=O)[O-])CC2)cc1 ZINC000740124101 602403583 /nfs/dbraw/zinc/40/35/83/602403583.db2.gz GCVQYWWEBDOHMA-MRXNPFEDSA-N -1 0 346.471 3.603 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(CCc2ccc(Cl)s2)n1 ZINC000738825257 602407736 /nfs/dbraw/zinc/40/77/36/602407736.db2.gz WDUZYCWQDLKWOW-JTQLQIEISA-N -1 0 343.836 3.925 20 0 EHADRM CCCCc1ccc(NC(=O)N2CCC(CN(C)C(=O)[O-])CC2)cc1 ZINC000739341907 602408368 /nfs/dbraw/zinc/40/83/68/602408368.db2.gz PCKJKYLYZZXVIF-UHFFFAOYSA-N -1 0 347.459 3.883 20 0 EHADRM O=C([O-])NC1(c2noc([C@H]3C[C@H]3c3ccc(F)cc3)n2)CCCC1 ZINC000740548930 602413653 /nfs/dbraw/zinc/41/36/53/602413653.db2.gz MHLGBWZAEDOURQ-STQMWFEESA-N -1 0 331.347 3.517 20 0 EHADRM C[C@@H](NC(=O)CC[C@H](NC(=O)[O-])c1ccccc1)c1cccs1 ZINC000738960865 602455025 /nfs/dbraw/zinc/45/50/25/602455025.db2.gz MXVYKYFDABPCHF-OCCSQVGLSA-N -1 0 332.425 3.714 20 0 EHADRM C[C@@H](c1ccccc1)N(C)C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000739058744 602455673 /nfs/dbraw/zinc/45/56/73/602455673.db2.gz NACLVMVBYCJBLG-MAUKXSAKSA-N -1 0 340.423 3.995 20 0 EHADRM CCN(Cc1ccccc1)C(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000739443403 602456517 /nfs/dbraw/zinc/45/65/17/602456517.db2.gz JKQMRNGGUBRWNK-SFHVURJKSA-N -1 0 340.423 3.824 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)N[C@H]1CCCc2occc21)c1ccccc1 ZINC000740539494 602457656 /nfs/dbraw/zinc/45/76/56/602457656.db2.gz PIEBPFQMNIFHTA-HOTGVXAUSA-N -1 0 342.395 3.562 20 0 EHADRM COc1cc(F)ccc1NC(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000739865870 602458228 /nfs/dbraw/zinc/45/82/28/602458228.db2.gz CWBLNIYOHPDDFU-CQSZACIVSA-N -1 0 346.358 3.562 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N[C@@H]2CCSc3ccccc32)ccc1F ZINC000740695246 602484837 /nfs/dbraw/zinc/48/48/37/602484837.db2.gz GSXCRKJOUXASFL-CYBMUJFWSA-N -1 0 346.383 3.883 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2cccc(OC(F)F)c2)ccc1F ZINC000740699042 602485159 /nfs/dbraw/zinc/48/51/59/602485159.db2.gz QJIVYRJIQGWBQI-UHFFFAOYSA-N -1 0 340.257 3.769 20 0 EHADRM CC(C)(Oc1ccc(F)cc1)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738758488 602501062 /nfs/dbraw/zinc/50/10/62/602501062.db2.gz WVPCBJKFIYWCLZ-UHFFFAOYSA-N -1 0 332.331 3.712 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2sccc2-n2cccc2)cc1 ZINC000740713257 602501816 /nfs/dbraw/zinc/50/18/16/602501816.db2.gz SXKIIAGBPBLJID-UHFFFAOYSA-N -1 0 327.365 3.881 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)CCCn2cnc3ccccc32)cc1 ZINC000740708593 602502992 /nfs/dbraw/zinc/50/29/92/602502992.db2.gz IWRKLUVSNATQSW-UHFFFAOYSA-N -1 0 338.367 3.545 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)CCCOc2ccccc2F)cc1 ZINC000740708382 602503619 /nfs/dbraw/zinc/50/36/19/602503619.db2.gz CZTNSAYJBKKRBW-UHFFFAOYSA-N -1 0 332.331 3.713 20 0 EHADRM CC(C)c1ncc(Cl)c(C(=O)Nc2ccc(NC(=O)[O-])cc2)n1 ZINC000738882093 602503936 /nfs/dbraw/zinc/50/39/36/602503936.db2.gz ZLZYSHZAPSMVDR-UHFFFAOYSA-N -1 0 334.763 3.596 20 0 EHADRM O=C(/C=C/c1cccs1)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000740346514 602506454 /nfs/dbraw/zinc/50/64/54/602506454.db2.gz JUCBQJXMYSJDQZ-SOFGYWHQSA-N -1 0 328.393 3.831 20 0 EHADRM C[C@@H]1CCCC[C@@]1(CNC(=O)[O-])NC(=O)c1ccc(C(F)F)cc1 ZINC000739097636 602509911 /nfs/dbraw/zinc/50/99/11/602509911.db2.gz GFJAXNMUZCWUNX-DIFFPNOSSA-N -1 0 340.370 3.571 20 0 EHADRM O=C([O-])NC1CCC(C(=O)Nc2ccnc(-c3ccccc3)c2)CC1 ZINC000740552996 602543059 /nfs/dbraw/zinc/54/30/59/602543059.db2.gz NZVCGSCWXTXQFQ-UHFFFAOYSA-N -1 0 339.395 3.514 20 0 EHADRM CC(C)C[C@H](NC(=O)N1CCC(N(C)C(=O)[O-])CC1)c1ccccc1 ZINC000737623928 602560816 /nfs/dbraw/zinc/56/08/16/602560816.db2.gz WXPPCZCPRYAHCZ-KRWDZBQOSA-N -1 0 347.459 3.558 20 0 EHADRM CCCCCc1ccc(NC(=O)N2CC[C@@H](CN(C)C(=O)[O-])C2)cc1 ZINC000739327041 602581956 /nfs/dbraw/zinc/58/19/56/602581956.db2.gz PJCXQQPHJQEZBX-INIZCTEOSA-N -1 0 347.459 3.883 20 0 EHADRM CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739440715 602600713 /nfs/dbraw/zinc/60/07/13/602600713.db2.gz FZTAUKXIBPYQMO-UHFFFAOYSA-N -1 0 343.383 3.839 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CNC(=O)Nc2ccc(NC(=O)[O-])cc2)o1 ZINC000739093798 602600782 /nfs/dbraw/zinc/60/07/82/602600782.db2.gz YGQASJNASRZAOI-HZMBPMFUSA-N -1 0 329.356 3.815 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NCCCOc2ccccc2F)cc1 ZINC000740710985 602602095 /nfs/dbraw/zinc/60/20/95/602602095.db2.gz OSTQCHSZKOKHLZ-UHFFFAOYSA-N -1 0 347.346 3.506 20 0 EHADRM COc1ccccc1C(C)(C)NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738122210 602603317 /nfs/dbraw/zinc/60/33/17/602603317.db2.gz ZIJAJCBBMOLPEI-UHFFFAOYSA-N -1 0 343.383 3.842 20 0 EHADRM Cc1csc(CCCCNC(=O)Nc2ccc(NC(=O)[O-])cc2)n1 ZINC000738337613 602603453 /nfs/dbraw/zinc/60/34/53/602603453.db2.gz XDDYHTCWKXBIHG-UHFFFAOYSA-N -1 0 348.428 3.686 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)NC[C@H]3CC=CCC3)ccc21 ZINC000740413085 602605400 /nfs/dbraw/zinc/60/54/00/602605400.db2.gz LQIZFLBBOYLGPJ-ZDUSSCGKSA-N -1 0 329.400 3.595 20 0 EHADRM Cc1ncccc1C(=O)Nc1cc(C(F)(F)F)ccc1NC(=O)[O-] ZINC000740235568 602626406 /nfs/dbraw/zinc/62/64/06/602626406.db2.gz GYOUFICNHOJEEL-UHFFFAOYSA-N -1 0 339.273 3.751 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)C[C@H]2CCc3ccccc3C2)c1 ZINC000740674481 602667707 /nfs/dbraw/zinc/66/77/07/602667707.db2.gz RIFUNMVJASQFAS-AWEZNQCLSA-N -1 0 338.407 3.588 20 0 EHADRM CCc1cc2c(ncnc2Oc2cccc(CNC(=O)[O-])c2)s1 ZINC000739544274 602687195 /nfs/dbraw/zinc/68/71/95/602687195.db2.gz YJTMMDWNAAQSKW-UHFFFAOYSA-N -1 0 329.381 3.814 20 0 EHADRM C[C@@H](NC(=O)[O-])C1CCN(C(=O)Nc2cccc3ccccc32)CC1 ZINC000739008525 602688750 /nfs/dbraw/zinc/68/87/50/602688750.db2.gz MLHCSTDKLZNUSG-CYBMUJFWSA-N -1 0 341.411 3.740 20 0 EHADRM Cc1cc(C(C)(C)C)ccc1OC(=O)c1csc(CNC(=O)[O-])n1 ZINC000740058668 602694814 /nfs/dbraw/zinc/69/48/14/602694814.db2.gz BJLFQYJFCKASJO-UHFFFAOYSA-N -1 0 348.424 3.736 20 0 EHADRM CC(C)CCc1ccccc1NC(=O)c1csc(CNC(=O)[O-])n1 ZINC000738821883 602700755 /nfs/dbraw/zinc/70/07/55/602700755.db2.gz VDZRRSKUVWGRCC-UHFFFAOYSA-N -1 0 347.440 3.752 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739262296 602713932 /nfs/dbraw/zinc/71/39/32/602713932.db2.gz ZLYAEFMMQJIQJW-INIZCTEOSA-N -1 0 326.396 3.662 20 0 EHADRM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000738095451 602726761 /nfs/dbraw/zinc/72/67/61/602726761.db2.gz HUWNLVKJHCCPML-HOTGVXAUSA-N -1 0 326.352 3.527 20 0 EHADRM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000738095450 602726783 /nfs/dbraw/zinc/72/67/83/602726783.db2.gz HUWNLVKJHCCPML-CVEARBPZSA-N -1 0 326.352 3.527 20 0 EHADRM O=C([O-])NCc1cccc(OC(=O)CCc2ccc(Cl)s2)c1 ZINC000740680328 602730758 /nfs/dbraw/zinc/73/07/58/602730758.db2.gz PPJOQJOXUWZXFN-UHFFFAOYSA-N -1 0 339.800 3.707 20 0 EHADRM C[C@@H]1CCC[C@@H](OCC(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])C1 ZINC000739094912 602732239 /nfs/dbraw/zinc/73/22/39/602732239.db2.gz ITJWFJLDSGPZNT-CZUORRHYSA-N -1 0 346.427 3.651 20 0 EHADRM CC(C)(CCCc1ccccc1)C(=O)N1CCC[C@@H](CNC(=O)[O-])C1 ZINC000738748363 602733010 /nfs/dbraw/zinc/73/30/10/602733010.db2.gz XKQPQRYKFYRFJQ-KRWDZBQOSA-N -1 0 346.471 3.542 20 0 EHADRM CC(C)[C@H](c1ccccc1)N(C)C(=O)CC1CCN(C(=O)[O-])CC1 ZINC000738800682 602735493 /nfs/dbraw/zinc/73/54/93/602735493.db2.gz OXJDUKAWDPVHGE-GOSISDBHSA-N -1 0 332.444 3.622 20 0 EHADRM C[C@H]1CN(Cc2csc(C3CCCCC3)n2)CC[C@@H]1NC(=O)[O-] ZINC000739193387 602760377 /nfs/dbraw/zinc/76/03/77/602760377.db2.gz SQRPKIXDXTVLGD-WFASDCNBSA-N -1 0 337.489 3.669 20 0 EHADRM CCCN(C(=O)C[C@@H]1CCCN1C(=O)[O-])[C@H](C)c1ccccc1OC ZINC000826858427 602762297 /nfs/dbraw/zinc/76/22/97/602762297.db2.gz NUBORMFXGHHVJP-CABCVRRESA-N -1 0 348.443 3.527 20 0 EHADRM O=C([O-])N1[C@@H]2CC[C@H]1CC(OC(=O)CCc1cc(Cl)cs1)C2 ZINC000740358694 602778152 /nfs/dbraw/zinc/77/81/52/602778152.db2.gz BHDVEBSOUBWNBZ-FOSCPWQOSA-N -1 0 343.832 3.551 20 0 EHADRM Cc1ccc(C(=O)N2CCC(OC3CCCC3)CC2)cc1NC(=O)[O-] ZINC000830186819 602785038 /nfs/dbraw/zinc/78/50/38/602785038.db2.gz KRXJLKGIPUGBPK-UHFFFAOYSA-N -1 0 346.427 3.649 20 0 EHADRM C[C@H](c1cc2ccccc2o1)N(C)C(=O)CCC(C)(C)NC(=O)[O-] ZINC000739053590 602789125 /nfs/dbraw/zinc/78/91/25/602789125.db2.gz MIQCVGHYRSZPIC-GFCCVEGCSA-N -1 0 332.400 3.779 20 0 EHADRM COc1ccccc1[C@H]1CCCCN1C(=O)CCC(C)(C)NC(=O)[O-] ZINC000739968489 602804514 /nfs/dbraw/zinc/80/45/14/602804514.db2.gz FCLSEDOWHUHMFY-OAHLLOKOSA-N -1 0 348.443 3.575 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)Nc2ccccc2CC(F)(F)F)C1 ZINC000740565597 602811875 /nfs/dbraw/zinc/81/18/75/602811875.db2.gz OKKIWGOHRLIWQT-ZYHUDNBSSA-N -1 0 344.333 3.556 20 0 EHADRM O=C([O-])N1CCCC[C@H](Nc2nc(C(F)F)nc3ccccc32)C1 ZINC000740520611 602814926 /nfs/dbraw/zinc/81/49/26/602814926.db2.gz SOIILWWGPWITBF-JTQLQIEISA-N -1 0 336.342 3.512 20 0 EHADRM CC(C)(C)c1ncc(C=CC(=O)Nc2ccc(NC(=O)[O-])nc2)s1 ZINC000823870286 602828422 /nfs/dbraw/zinc/82/84/22/602828422.db2.gz TYOUNAXFHRRCJN-ALCCZGGFSA-N -1 0 346.412 3.577 20 0 EHADRM Cc1nc(C2CCCC2)sc1C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000830735219 602829551 /nfs/dbraw/zinc/82/95/51/602829551.db2.gz QARIALZNRPXWBU-UHFFFAOYSA-N -1 0 346.412 3.846 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)C2CCC(NC(=O)[O-])CC2)C1 ZINC000740181772 602842127 /nfs/dbraw/zinc/84/21/27/602842127.db2.gz SPAOXUMPXGGSTJ-ORBLRFAASA-N -1 0 344.455 3.526 20 0 EHADRM C[C@H](C(=O)N1CCC[C@H]1C(C)(C)C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823668170 602856702 /nfs/dbraw/zinc/85/67/02/602856702.db2.gz CDTMVTKYPDMJQT-CWRNSKLLSA-N -1 0 332.444 3.669 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)c2cc3cccc(F)c3o2)c1 ZINC000740680781 602900489 /nfs/dbraw/zinc/90/04/89/602900489.db2.gz VNWRADZERANIFL-UHFFFAOYSA-N -1 0 328.299 3.592 20 0 EHADRM CC(C)CCc1ccc(NC(=O)N2CC[C@@H](NC(=O)[O-])[C@H](C)C2)cc1 ZINC000738822666 602917514 /nfs/dbraw/zinc/91/75/14/602917514.db2.gz QCKPSCFBIILMOP-RHSMWYFYSA-N -1 0 347.459 3.785 20 0 EHADRM CCN(CC)C(=O)[C@H](Nc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000737079060 602928519 /nfs/dbraw/zinc/92/85/19/602928519.db2.gz WZHACALGLRDWST-QGZVFWFLSA-N -1 0 341.411 3.798 20 0 EHADRM CCOc1ccccc1NC(=O)Nc1ccc(OC)c(NC(=O)[O-])c1 ZINC000739510368 602942901 /nfs/dbraw/zinc/94/29/01/602942901.db2.gz PBUHBVPMSXCQGW-UHFFFAOYSA-N -1 0 345.355 3.828 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCC[C@H]1NC(=O)[O-])c1cc(Cl)ccc1Cl ZINC000738961054 602950030 /nfs/dbraw/zinc/95/00/30/602950030.db2.gz NXPCKLRQNURAEU-GMOODISLSA-N -1 0 345.226 3.607 20 0 EHADRM Cc1csc(C(C)(C)NC(=O)c2ccc(C)c(NC(=O)[O-])c2)n1 ZINC000830655733 602952933 /nfs/dbraw/zinc/95/29/33/602952933.db2.gz WBQCVKUFZXZDFM-UHFFFAOYSA-N -1 0 333.413 3.515 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)c2csc(Br)c2)cc1 ZINC000738668758 602964167 /nfs/dbraw/zinc/96/41/67/602964167.db2.gz LMGGVZOWGYKHRA-UHFFFAOYSA-N -1 0 342.170 3.820 20 0 EHADRM Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)C[C@@H](C)NC(=O)[O-] ZINC000830615555 602968672 /nfs/dbraw/zinc/96/86/72/602968672.db2.gz BCODUJLUORMCOR-HIFRSBDPSA-N -1 0 346.452 3.503 20 0 EHADRM CCc1nc(C)c([C@H](C)OC(=O)c2ccc(CNC(=O)[O-])cc2)s1 ZINC000739557551 602971510 /nfs/dbraw/zinc/97/15/10/602971510.db2.gz VJBNHKNHIBBUJW-NSHDSACASA-N -1 0 348.424 3.700 20 0 EHADRM CCCCCC[C@](C)(CC)C(=O)N1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000826820641 602979086 /nfs/dbraw/zinc/97/90/86/602979086.db2.gz NWVQQIYEFXBCHS-MPGHIAIKSA-N -1 0 326.481 3.878 20 0 EHADRM CC(C)(CC(=O)N(Cc1ccsc1)c1ccccc1)NC(=O)[O-] ZINC000738730864 602980177 /nfs/dbraw/zinc/98/01/77/602980177.db2.gz IKFXGVLRGRZTET-UHFFFAOYSA-N -1 0 332.425 3.718 20 0 EHADRM C[C@H](CC(=O)Nc1cccc(CSC2CCCC2)c1)NC(=O)[O-] ZINC000824703593 602984349 /nfs/dbraw/zinc/98/43/49/602984349.db2.gz NNAPYTPIFDMZJM-GFCCVEGCSA-N -1 0 336.457 3.847 20 0 EHADRM CCc1ccc([C@H]2CCCCN2C(=O)c2ccc(CNC(=O)[O-])o2)o1 ZINC000827584404 602989402 /nfs/dbraw/zinc/98/94/02/602989402.db2.gz RINBOGGBAFSSDV-CQSZACIVSA-N -1 0 346.383 3.570 20 0 EHADRM CCO[C@@H](C)c1ncc(C(=O)Oc2ccc(NC(=O)[O-])cc2)s1 ZINC000827361429 602999129 /nfs/dbraw/zinc/99/91/29/602999129.db2.gz IFBKWZUFRDFDBZ-VIFPVBQESA-N -1 0 336.369 3.550 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(-c2ccc3ncsc3c2)n1 ZINC000738815569 603000196 /nfs/dbraw/zinc/00/01/96/603000196.db2.gz HKJGPAJGKGTGCB-LLVKDONJSA-N -1 0 332.385 3.701 20 0 EHADRM C[C@@H](CN(C)C(=O)[O-])c1noc([C@H](C)Oc2cccc(Cl)c2)n1 ZINC000738908113 603014958 /nfs/dbraw/zinc/01/49/58/603014958.db2.gz NAQPBHFQLYEETK-UWVGGRQHSA-N -1 0 339.779 3.576 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc(CSc2ccc(Cl)cc2)n1 ZINC000738910546 603019806 /nfs/dbraw/zinc/01/98/06/603019806.db2.gz FYEJAMAYFQIVAW-SECBINFHSA-N -1 0 341.820 3.729 20 0 EHADRM C[C@@H](CN(C)C(=O)[O-])c1noc(-c2ccc(SC(F)F)cc2)n1 ZINC000738907673 603021418 /nfs/dbraw/zinc/02/14/18/603021418.db2.gz HZMICHMHLMZNAU-QMMMGPOBSA-N -1 0 343.355 3.765 20 0 EHADRM CCC(CC)[C@@H](NC(=O)C1CCN(C(=O)[O-])CC1)c1ccccc1 ZINC000826566389 603033396 /nfs/dbraw/zinc/03/33/96/603033396.db2.gz HPZSDRXNFQJYPM-QGZVFWFLSA-N -1 0 332.444 3.670 20 0 EHADRM Cc1ccccc1C[C@@H](C)NC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000740183624 603037851 /nfs/dbraw/zinc/03/78/51/603037851.db2.gz LPZXOLHYAZTACN-GFCCVEGCSA-N -1 0 345.374 3.977 20 0 EHADRM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)CC2CCN(C(=O)[O-])CC2)C1 ZINC000739085741 603039052 /nfs/dbraw/zinc/03/90/52/603039052.db2.gz UWGPRILWCFAJQS-SUMWQHHRSA-N -1 0 348.418 3.515 20 0 EHADRM C[C@H](CC(=O)Oc1ccc(N(C)C(=O)[O-])cc1)C(=O)c1ccccc1 ZINC000824742976 603040197 /nfs/dbraw/zinc/04/01/97/603040197.db2.gz FHAFAMBUFWIMGB-CYBMUJFWSA-N -1 0 341.363 3.615 20 0 EHADRM CC(C)(C)n1cc(NC(=O)Nc2cc(NC(=O)[O-])ccc2F)cn1 ZINC000738732307 603042102 /nfs/dbraw/zinc/04/21/02/603042102.db2.gz XYFHRTBJRUCDPS-UHFFFAOYSA-N -1 0 335.339 3.511 20 0 EHADRM Cc1cc(CNC(=O)Nc2cc(NC(=O)[O-])ccc2F)ccc1F ZINC000740072505 603042913 /nfs/dbraw/zinc/04/29/13/603042913.db2.gz HUYZTYPZWYUFKR-UHFFFAOYSA-N -1 0 335.310 3.685 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)NCCCOc2ccccc2)c1 ZINC000740705328 603043574 /nfs/dbraw/zinc/04/35/74/603043574.db2.gz SVSWPWUVLDHFKD-UHFFFAOYSA-N -1 0 347.346 3.506 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)c2cc(-c3cccs3)on2)cc1 ZINC000827914070 603044085 /nfs/dbraw/zinc/04/40/85/603044085.db2.gz FIVYOAQRJJZQAM-UHFFFAOYSA-N -1 0 344.348 3.737 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000827899784 603049463 /nfs/dbraw/zinc/04/94/63/603049463.db2.gz JEIFSOSGNMRVLU-UHFFFAOYSA-N -1 0 329.396 3.923 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)c2cc3cc(F)ccc3[nH]2)cc1 ZINC000827914089 603050425 /nfs/dbraw/zinc/05/04/25/603050425.db2.gz FULIGLCXWXZYNE-UHFFFAOYSA-N -1 0 328.299 3.640 20 0 EHADRM CCc1ccsc1C(=O)N1CCCN(C(=O)[O-])c2ccccc21 ZINC000739549900 603056010 /nfs/dbraw/zinc/05/60/10/603056010.db2.gz NOLKSQLKFOVSJZ-UHFFFAOYSA-N -1 0 330.409 3.845 20 0 EHADRM O=C([O-])N1CCCN(C(=O)c2cccc3cccnc32)c2ccccc21 ZINC000740515856 603056796 /nfs/dbraw/zinc/05/67/96/603056796.db2.gz LNWOVGQAWWVPHR-UHFFFAOYSA-N -1 0 347.374 3.770 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)C1 ZINC000825851518 603061465 /nfs/dbraw/zinc/06/14/65/603061465.db2.gz IUJWJGHGIKTJQQ-XJIUQZFPSA-N -1 0 348.418 3.562 20 0 EHADRM C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)CCNC(=O)[O-] ZINC000825624311 603085081 /nfs/dbraw/zinc/08/50/81/603085081.db2.gz VOIVHQJQFJWTKP-AWEZNQCLSA-N -1 0 326.396 3.531 20 0 EHADRM Cc1ccc(CNC(=O)Nc2ccccc2CN(C)C(=O)[O-])c(C)c1 ZINC000740130796 603141095 /nfs/dbraw/zinc/14/10/95/603141095.db2.gz VWWVGRSTJXOREX-UHFFFAOYSA-N -1 0 341.411 3.735 20 0 EHADRM CC[C@H]1CCCN(C(=O)Nc2cccc(CN(CC)C(=O)[O-])c2)C1 ZINC000739266587 603142289 /nfs/dbraw/zinc/14/22/89/603142289.db2.gz GLKJYSIIAVAANO-AWEZNQCLSA-N -1 0 333.432 3.840 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@H](C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000740567425 603149284 /nfs/dbraw/zinc/14/92/84/603149284.db2.gz CUBAICZLNPWIAC-ONGXEEELSA-N -1 0 344.383 3.766 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)COc2ccc(NC(=O)[O-])cc2)cc1C ZINC000738262454 603156589 /nfs/dbraw/zinc/15/65/89/603156589.db2.gz YWHLRJBBOPYSNY-CQSZACIVSA-N -1 0 342.395 3.650 20 0 EHADRM Cc1ccccc1CN(C)C(=O)[C@@H](C)Oc1ccc(NC(=O)[O-])cc1 ZINC000830573376 603157156 /nfs/dbraw/zinc/15/71/56/603157156.db2.gz JHYZFBMDSWRQCQ-CQSZACIVSA-N -1 0 342.395 3.511 20 0 EHADRM C[C@@H](Oc1ccc(NC(=O)[O-])cc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000825616794 603157261 /nfs/dbraw/zinc/15/72/61/603157261.db2.gz KKACDJWFJQTEBG-QWHCGFSZSA-N -1 0 340.379 3.522 20 0 EHADRM CCOc1ccc(C(C)=O)cc1COc1ccc(N(C)C(=O)[O-])cc1 ZINC000827427072 603157915 /nfs/dbraw/zinc/15/79/15/603157915.db2.gz FBAUSYNHIOHHDA-UHFFFAOYSA-N -1 0 343.379 3.981 20 0 EHADRM C[C@@H](Oc1ccc(NC(=O)[O-])cc1)C(=O)NCc1ccccc1Cl ZINC000825618398 603157999 /nfs/dbraw/zinc/15/79/99/603157999.db2.gz VZDVZYTXOREUTI-LLVKDONJSA-N -1 0 348.786 3.514 20 0 EHADRM Cc1cccc(NC(=O)[C@@H](C)Oc2ccc(NC(=O)[O-])cc2)c1C ZINC000830511291 603159231 /nfs/dbraw/zinc/15/92/31/603159231.db2.gz GRNXLCNAAURHBJ-CYBMUJFWSA-N -1 0 328.368 3.799 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)COc2cccc(Cl)c2)cc1 ZINC000825423124 603174564 /nfs/dbraw/zinc/17/45/64/603174564.db2.gz NTLNIZWLTCETCI-LLVKDONJSA-N -1 0 348.786 3.686 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)c3cc4occc4s3)ccc21 ZINC000740470206 603174700 /nfs/dbraw/zinc/17/47/00/603174700.db2.gz LLHULZWPYMFWBY-UHFFFAOYSA-N -1 0 328.349 3.787 20 0 EHADRM CCc1cccc2c1N(C(=O)c1ccc(CNC(=O)[O-])cc1)CCC2 ZINC000739549846 603178507 /nfs/dbraw/zinc/17/85/07/603178507.db2.gz YQNLJMOWNNTLPT-UHFFFAOYSA-N -1 0 338.407 3.610 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2cc3c(cccc3F)[nH]2)cc1 ZINC000825442785 603179465 /nfs/dbraw/zinc/17/94/65/603179465.db2.gz PMMOHEFYJWZVFR-JTQLQIEISA-N -1 0 341.342 3.888 20 0 EHADRM O=C([O-])N1CCC[C@H]1C1CCN(c2ccnc3ccsc32)CC1 ZINC000832007634 603182150 /nfs/dbraw/zinc/18/21/50/603182150.db2.gz ZXXULQRGLLFVSL-AWEZNQCLSA-N -1 0 331.441 3.655 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2cccc3ncccc32)cc1 ZINC000825449568 603183010 /nfs/dbraw/zinc/18/30/10/603183010.db2.gz UECXKCHGIDGRHY-LBPRGKRZSA-N -1 0 335.363 3.816 20 0 EHADRM COc1cccc(CCC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)c1 ZINC000829557066 603184142 /nfs/dbraw/zinc/18/41/42/603184142.db2.gz YMJQIVXJRWMZTF-CYBMUJFWSA-N -1 0 342.395 3.595 20 0 EHADRM Cc1ccc2oc(C(=O)Nc3ccc([C@H](C)NC(=O)[O-])cc3)cc2n1 ZINC000830459670 603195735 /nfs/dbraw/zinc/19/57/35/603195735.db2.gz ISWSJGKFYGCBIG-NSHDSACASA-N -1 0 339.351 3.717 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)C2(c3ccccc3F)CC2)cc1 ZINC000825418096 603196386 /nfs/dbraw/zinc/19/63/86/603196386.db2.gz SAFLPLUHAQXOPL-LBPRGKRZSA-N -1 0 342.370 3.825 20 0 EHADRM CC(C)(NC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1)c1cccc(Cl)c1 ZINC000738752862 603209880 /nfs/dbraw/zinc/20/98/80/603209880.db2.gz OMMUGICHMXIGJV-FZMZJTMJSA-N -1 0 338.835 3.518 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2C(=O)CCC(C)(C)NC(=O)[O-])cc1 ZINC000740118250 603216747 /nfs/dbraw/zinc/21/67/47/603216747.db2.gz OBGBJHHVDOWHFT-INIZCTEOSA-N -1 0 332.444 3.875 20 0 EHADRM COc1ccc(C)cc1NC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000829321048 603218789 /nfs/dbraw/zinc/21/87/89/603218789.db2.gz FWWYLPDACJFLSC-SUMWQHHRSA-N -1 0 342.395 3.587 20 0 EHADRM CC[C@](C)(NC(=O)Cc1ccc(NC(=O)[O-])cc1)c1nc(C)cs1 ZINC000739218709 603222226 /nfs/dbraw/zinc/22/22/26/603222226.db2.gz LQLKEJNXNZAXAB-KRWDZBQOSA-N -1 0 347.440 3.526 20 0 EHADRM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccc(CNC(=O)[O-])o1 ZINC000828355960 603227282 /nfs/dbraw/zinc/22/72/82/603227282.db2.gz SLQODTNPBJVMOL-UHFFFAOYSA-N -1 0 344.411 3.617 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CCN(C(=O)[O-])C(C)C)o1 ZINC000830281961 603230986 /nfs/dbraw/zinc/23/09/86/603230986.db2.gz NEBGQOOMGVHOQC-HIFRSBDPSA-N -1 0 336.432 3.666 20 0 EHADRM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CCCN(C)C(=O)[O-])o1 ZINC000827585080 603232951 /nfs/dbraw/zinc/23/29/51/603232951.db2.gz ZGEAXKPTVQNMKA-ZFWWWQNUSA-N -1 0 336.432 3.532 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)c(Cl)c1 ZINC000740699119 603233695 /nfs/dbraw/zinc/23/36/95/603233695.db2.gz QNLSBQPICMZAPV-HIFRSBDPSA-N -1 0 348.761 3.855 20 0 EHADRM C[C@H](C(=O)NCCC1=CCCCC1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823693149 603239510 /nfs/dbraw/zinc/23/95/10/603239510.db2.gz JUWRCUAPIBTZLK-WMLDXEAASA-N -1 0 330.428 3.638 20 0 EHADRM C[C@@H](C(=O)NCCC1=CCCCC1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823693148 603239669 /nfs/dbraw/zinc/23/96/69/603239669.db2.gz JUWRCUAPIBTZLK-RHSMWYFYSA-N -1 0 330.428 3.638 20 0 EHADRM O=C([O-])N1CC[C@@H](C(=O)Nc2cc(F)ccc2Oc2ccccc2)C1 ZINC000740457667 603241721 /nfs/dbraw/zinc/24/17/21/603241721.db2.gz PZFQPMRFXDQWIL-GFCCVEGCSA-N -1 0 344.342 3.556 20 0 EHADRM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(Cl)cc1Cl ZINC000832474961 603248334 /nfs/dbraw/zinc/24/83/34/603248334.db2.gz KKTRERNCOXFVDV-GZMMTYOYSA-N -1 0 346.214 3.551 20 0 EHADRM CC(C)c1ccccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000824476120 603249327 /nfs/dbraw/zinc/24/93/27/603249327.db2.gz GIFHATJSTBETTK-AGUYFDCRSA-N -1 0 331.416 3.605 20 0 EHADRM Cc1ccc(F)c(NC(=O)[C@@H](C)[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000830329133 603255990 /nfs/dbraw/zinc/25/59/90/603255990.db2.gz MYOJRXZGZRPMAD-LRDDRELGSA-N -1 0 330.359 3.718 20 0 EHADRM Cc1ccc(OCCN(C)C(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1 ZINC000830407646 603260321 /nfs/dbraw/zinc/26/03/21/603260321.db2.gz RMBIHJATSSRQKG-UHFFFAOYSA-N -1 0 342.395 3.544 20 0 EHADRM Cc1ccc(C(=O)Nc2ccnn2CCC(C)C)cc1NC(=O)[O-] ZINC000830234258 603263481 /nfs/dbraw/zinc/26/34/81/603263481.db2.gz PPNPDYRJSJJQFO-UHFFFAOYSA-N -1 0 330.388 3.580 20 0 EHADRM CCOc1ccc([C@@H](C)NC(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1 ZINC000827427405 603266109 /nfs/dbraw/zinc/26/61/09/603266109.db2.gz IGQVZWFHADQMCW-CYBMUJFWSA-N -1 0 342.395 3.975 20 0 EHADRM O=C([O-])NC[C@@H]1CCCN1C(=O)Nc1ccccc1-c1cccs1 ZINC000832561154 603266276 /nfs/dbraw/zinc/26/62/76/603266276.db2.gz FRLQRXPOVXCBNL-LBPRGKRZSA-N -1 0 345.424 3.679 20 0 EHADRM CC[C@@H](NC(=O)CC1CCN(C(=O)[O-])CC1)C(C)(C)c1ccccc1 ZINC000739262116 603274511 /nfs/dbraw/zinc/27/45/11/603274511.db2.gz JDZJMYZEGZNBRD-QGZVFWFLSA-N -1 0 346.471 3.639 20 0 EHADRM CCSCc1cccc(NC(=O)[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000739519750 603278295 /nfs/dbraw/zinc/27/82/95/603278295.db2.gz WGFHULBDNWYQNU-INIZCTEOSA-N -1 0 344.436 3.887 20 0 EHADRM COc1cc(NC(=O)N([C@H](C)C2CC2)C2CC2)ccc1NC(=O)[O-] ZINC000829159397 603282092 /nfs/dbraw/zinc/28/20/92/603282092.db2.gz RLRQNWRFILMGSY-SNVBAGLBSA-N -1 0 333.388 3.580 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(-n3ccnc3)cc2)cc1NC(=O)[O-] ZINC000830230246 603287862 /nfs/dbraw/zinc/28/78/62/603287862.db2.gz AEENNCABWKKSJO-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM O=C([O-])N[C@@H](C(=O)Nc1cccc(F)c1F)c1cccc(Cl)c1 ZINC000740530977 603291262 /nfs/dbraw/zinc/29/12/62/603291262.db2.gz BMRIZIPLVLCEBQ-CYBMUJFWSA-N -1 0 340.713 3.566 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc2c1CCN(C(=O)[O-])C2)c1cccs1 ZINC000738978723 603293082 /nfs/dbraw/zinc/29/30/82/603293082.db2.gz KRPAODFREBLHDO-LLVKDONJSA-N -1 0 345.424 3.667 20 0 EHADRM O=C([O-])N1CCCN(C(=O)CCc2ccccc2F)c2ccccc21 ZINC000740515092 603297717 /nfs/dbraw/zinc/29/77/17/603297717.db2.gz AVZKZIXWEHUAND-UHFFFAOYSA-N -1 0 342.370 3.680 20 0 EHADRM CCOCc1ccc(CNC(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1 ZINC000827409770 603308450 /nfs/dbraw/zinc/30/84/50/603308450.db2.gz QRRUHAATSOSDSG-UHFFFAOYSA-N -1 0 342.395 3.551 20 0 EHADRM Cc1ccc(CC[C@@H](C)NC(=O)Nc2ccc(NC(=O)[O-])cc2)o1 ZINC000830297055 603311392 /nfs/dbraw/zinc/31/13/92/603311392.db2.gz WLASBZVTBLSWDP-LLVKDONJSA-N -1 0 331.372 3.821 20 0 EHADRM CS[C@@H]1CC[C@@H](NC(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])C1 ZINC000829711757 603313359 /nfs/dbraw/zinc/31/33/59/603313359.db2.gz WQTGRIBMXLPJPN-ZIAGYGMSSA-N -1 0 349.456 3.523 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(-n3cccn3)cc2)cc1NC(=O)[O-] ZINC000830230402 603317332 /nfs/dbraw/zinc/31/73/32/603317332.db2.gz IFZVUTXBFVFLTJ-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)NCc2cccc3ccccc32)c1 ZINC000740680046 603322829 /nfs/dbraw/zinc/32/28/29/603322829.db2.gz JJTPOHIRKLGNHN-UHFFFAOYSA-N -1 0 349.390 3.929 20 0 EHADRM CN(Cc1ccccc1NC(=O)N[C@@H]1C[C@@H]1C1CCCCC1)C(=O)[O-] ZINC000828399590 603328215 /nfs/dbraw/zinc/32/82/15/603328215.db2.gz BYXCDWWTOIHBHS-NVXWUHKLSA-N -1 0 345.443 3.887 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000738988811 603328156 /nfs/dbraw/zinc/32/81/56/603328156.db2.gz OXLLKPHBWMVCRL-SNVBAGLBSA-N -1 0 349.337 3.615 20 0 EHADRM Cc1ccc(C(=O)Nc2cccc(-n3cccn3)c2)cc1NC(=O)[O-] ZINC000830233576 603330347 /nfs/dbraw/zinc/33/03/47/603330347.db2.gz AUZREIDMKSFQGQ-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM Cc1ccc(C(=O)N2CCC(OCCC(C)C)CC2)cc1NC(=O)[O-] ZINC000830187762 603349022 /nfs/dbraw/zinc/34/90/22/603349022.db2.gz SIZIMYRSEOBLRB-UHFFFAOYSA-N -1 0 348.443 3.752 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N[C@@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000739448372 603350302 /nfs/dbraw/zinc/35/03/02/603350302.db2.gz SKQXCIDGPGSTAE-UKRRQHHQSA-N -1 0 333.432 3.887 20 0 EHADRM C[C@H](CC(=O)N[C@H](CCc1ccccc1)c1ccccc1)NC(=O)[O-] ZINC000824614534 603357306 /nfs/dbraw/zinc/35/73/06/603357306.db2.gz KRBKVMAHJSJDOO-CRAIPNDOSA-N -1 0 340.423 3.523 20 0 EHADRM CN(Cc1cccc(NC(=O)N(C)C2CCCCCC2)c1)C(=O)[O-] ZINC000739707751 603358107 /nfs/dbraw/zinc/35/81/07/603358107.db2.gz YZNJXDHMQRKYOD-UHFFFAOYSA-N -1 0 333.432 3.983 20 0 EHADRM CC[C@H](c1nnc(SC[C@@H]2CCN(C(=O)[O-])C2)o1)c1ccccc1 ZINC000739262827 603373680 /nfs/dbraw/zinc/37/36/80/603373680.db2.gz GHKOMKUWGIFRFN-OCCSQVGLSA-N -1 0 347.440 3.704 20 0 EHADRM C[C@H](Cc1ccsc1)NC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000825030424 603375899 /nfs/dbraw/zinc/37/58/99/603375899.db2.gz KFYOOEVYNLCJDP-NEPJUHHUSA-N -1 0 347.440 3.829 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000825426326 603375935 /nfs/dbraw/zinc/37/59/35/603375935.db2.gz BXJWJCKWDOWFQT-AFAVFJNCSA-N -1 0 339.395 3.693 20 0 EHADRM CC(C)c1ccc(NC(=S)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc1 ZINC000738877897 603378503 /nfs/dbraw/zinc/37/85/03/603378503.db2.gz UYZCPSKSDZORLJ-MQVJKMGUSA-N -1 0 347.484 3.770 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1)c1cccs1 ZINC000825427645 603378797 /nfs/dbraw/zinc/37/87/97/603378797.db2.gz XUNSBXRYKPABIM-WDEREUQCSA-N -1 0 333.413 3.959 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N2CCC[C@H]2C2CCC2)cc1 ZINC000825427409 603383738 /nfs/dbraw/zinc/38/37/38/603383738.db2.gz VDLYAFVNILPEPV-LRDDRELGSA-N -1 0 331.416 3.812 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)NCc2cc(F)ccc2F)cc1 ZINC000825434725 603384918 /nfs/dbraw/zinc/38/49/18/603384918.db2.gz XAQLVFOISMQBND-JTQLQIEISA-N -1 0 349.337 3.615 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N(C)[C@@H](C)c2ccccn2)cc1 ZINC000825423082 603385399 /nfs/dbraw/zinc/38/53/99/603385399.db2.gz NFDKHYBHRDNBHT-OLZOCXBDSA-N -1 0 342.399 3.635 20 0 EHADRM COc1ccc(NC(=O)C[C@H]2CCc3ccccc32)cc1NC(=O)[O-] ZINC000739918134 603397993 /nfs/dbraw/zinc/39/79/93/603397993.db2.gz BRXQDZNNBGNAPH-CYBMUJFWSA-N -1 0 340.379 3.844 20 0 EHADRM Cc1cc2cc(C(=O)N3CCC[C@@H](CN(C)C(=O)[O-])C3)oc2cc1C ZINC000830144941 603404164 /nfs/dbraw/zinc/40/41/64/603404164.db2.gz ZGUPURUPNDJJMQ-AWEZNQCLSA-N -1 0 344.411 3.512 20 0 EHADRM C[C@H](c1nc(Cc2cccs2)no1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000825645313 603408348 /nfs/dbraw/zinc/40/83/48/603408348.db2.gz NVKINCHFUQRNSD-XHDPSFHLSA-N -1 0 343.408 3.834 20 0 EHADRM Cc1cc2cc(-c3nc(C4(NC(=O)[O-])CCC4)no3)oc2cc1C ZINC000830143225 603419001 /nfs/dbraw/zinc/41/90/01/603419001.db2.gz FYXXRZFNTUBICQ-UHFFFAOYSA-N -1 0 327.340 3.746 20 0 EHADRM Cc1ccc(C(=O)NCCc2ccccc2Cl)cc1NC(=O)[O-] ZINC000830220504 603421293 /nfs/dbraw/zinc/42/12/93/603421293.db2.gz WPXFIDMUROAIBA-UHFFFAOYSA-N -1 0 332.787 3.711 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC000825081227 603430287 /nfs/dbraw/zinc/43/02/87/603430287.db2.gz AUMQEXCIPQJYDG-QXEWZRGKSA-N -1 0 345.226 3.607 20 0 EHADRM O=C([O-])N1CCCN(C(=O)Cn2ccc3ccccc32)c2ccccc21 ZINC000740516197 603432148 /nfs/dbraw/zinc/43/21/48/603432148.db2.gz MUXAQEQBRXBVKM-UHFFFAOYSA-N -1 0 349.390 3.563 20 0 EHADRM C[C@H]1CCN(C)c2ccccc2N1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736796514 603432470 /nfs/dbraw/zinc/43/24/70/603432470.db2.gz DPTCBHDMHPHXQR-ZDUSSCGKSA-N -1 0 339.395 3.652 20 0 EHADRM C[C@@H](OC(=O)c1ccc(CNC(=O)[O-])o1)c1ccc(F)cc1Cl ZINC000829801789 603436314 /nfs/dbraw/zinc/43/63/14/603436314.db2.gz KWUIWAFYRVTXKL-MRVPVSSYSA-N -1 0 341.722 3.758 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)OCc1ccoc1C ZINC000829193127 603447486 /nfs/dbraw/zinc/44/74/86/603447486.db2.gz XSDHSRQLMLDDOM-UHFFFAOYSA-N -1 0 339.731 3.697 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000832285213 603453104 /nfs/dbraw/zinc/45/31/04/603453104.db2.gz DNYIPOVTNPEBCL-XJKSGUPXSA-N -1 0 336.391 3.633 20 0 EHADRM C[C@H](NC(=S)NCCc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000736660658 603461056 /nfs/dbraw/zinc/46/10/56/603461056.db2.gz NEQLATXLODRXOE-ZDUSSCGKSA-N -1 0 343.452 3.544 20 0 EHADRM Cc1ccc(C)c(NC(=S)NCCc2ccc(NC(=O)[O-])cc2)c1 ZINC000738573083 603461391 /nfs/dbraw/zinc/46/13/91/603461391.db2.gz FQCGPUKGNZNEBO-UHFFFAOYSA-N -1 0 343.452 3.922 20 0 EHADRM CC(C)c1ncc(Cl)c(C(=O)Oc2cccc(NC(=O)[O-])c2)n1 ZINC000824496623 603483876 /nfs/dbraw/zinc/48/38/76/603483876.db2.gz YRABZLRCBACFKS-UHFFFAOYSA-N -1 0 335.747 3.563 20 0 EHADRM O=C([O-])NCc1ccc2c(c1)CCCN2C(=O)c1cccc2[nH]ccc21 ZINC000832714680 603491387 /nfs/dbraw/zinc/49/13/87/603491387.db2.gz GKUSCKVQCFIKMG-UHFFFAOYSA-N -1 0 349.390 3.529 20 0 EHADRM CCN(CC1CCN(Cc2ncc(-c3ccccc3)o2)CC1)C(=O)[O-] ZINC000827099156 603507667 /nfs/dbraw/zinc/50/76/67/603507667.db2.gz MLNGAAKQWCNPQW-UHFFFAOYSA-N -1 0 343.427 3.554 20 0 EHADRM CCN(CC1CCN(Cc2coc(-c3cccs3)n2)CC1)C(=O)[O-] ZINC000827098564 603513831 /nfs/dbraw/zinc/51/38/31/603513831.db2.gz CQYOQJOGRLZANF-UHFFFAOYSA-N -1 0 349.456 3.615 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N(C(C)C)C1CCC1 ZINC000829168259 603541333 /nfs/dbraw/zinc/54/13/33/603541333.db2.gz XBHGJZITZCSZPA-UHFFFAOYSA-N -1 0 340.807 3.842 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N1C[C@H](C)CC[C@@H]1C ZINC000829174078 603548576 /nfs/dbraw/zinc/54/85/76/603548576.db2.gz PKPDQQGDFNFSEY-ZJUUUORDSA-N -1 0 340.807 3.699 20 0 EHADRM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CC1CN(C(=O)[O-])C1 ZINC000825629602 603560331 /nfs/dbraw/zinc/56/03/31/603560331.db2.gz FTCZXSKIIWSGIN-SECBINFHSA-N -1 0 345.226 3.513 20 0 EHADRM CCC(CC)N(C(=O)NCCc1ccc(NC(=O)[O-])cc1)C1CC1 ZINC000826571820 603574278 /nfs/dbraw/zinc/57/42/78/603574278.db2.gz MQWCOLYOUDRBNA-UHFFFAOYSA-N -1 0 333.432 3.682 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000825861884 603585116 /nfs/dbraw/zinc/58/51/16/603585116.db2.gz ZNYLOUXMHHQQLT-XNRPHZJLSA-N -1 0 331.416 3.639 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)Nc2cc(C3CCCCC3)[nH]n2)cc1 ZINC000832841670 603634344 /nfs/dbraw/zinc/63/43/44/603634344.db2.gz KSWKEWIYSOIONJ-UHFFFAOYSA-N -1 0 342.399 3.729 20 0 EHADRM Cc1ccc(NC(=O)[O-])c(OCc2nnc(-c3cccc(F)c3)o2)c1 ZINC000830390034 603638539 /nfs/dbraw/zinc/63/85/39/603638539.db2.gz BIIZUULMGSHTQJ-UHFFFAOYSA-N -1 0 343.314 3.853 20 0 EHADRM Cc1ccc(NC(=O)[O-])c(OCC(=O)Nc2c(C)cccc2C)c1 ZINC000830390368 603640374 /nfs/dbraw/zinc/64/03/74/603640374.db2.gz OBRXWRDBJQUXAQ-UHFFFAOYSA-N -1 0 328.368 3.719 20 0 EHADRM CC(=O)c1ccc(Cc2nc(-c3cccc(NC(=O)[O-])c3)no2)cc1 ZINC000823632924 603641046 /nfs/dbraw/zinc/64/10/46/603641046.db2.gz XEIOTWRSKNSSHM-UHFFFAOYSA-N -1 0 337.335 3.620 20 0 EHADRM CC(C)C[C@@H]1CCN(C(=O)[C@@H](C)[C@@H](NC(=O)[O-])c2ccccc2)C1 ZINC000824223137 603642313 /nfs/dbraw/zinc/64/23/13/603642313.db2.gz CDAGXIDLCJYHJX-YQQAZPJKSA-N -1 0 332.444 3.526 20 0 EHADRM CC(C)C[C@@H]1CCN(C(=O)[C@H](C)[C@H](NC(=O)[O-])c2ccccc2)C1 ZINC000824223136 603642351 /nfs/dbraw/zinc/64/23/51/603642351.db2.gz CDAGXIDLCJYHJX-VYDXJSESSA-N -1 0 332.444 3.526 20 0 EHADRM CC[C@@H](NC(=O)N(C)C1CCC(NC(=O)[O-])CC1)C1CCCCC1 ZINC000826599404 603643470 /nfs/dbraw/zinc/64/34/70/603643470.db2.gz DFQJMMSSRSZDLD-UYSNPLJNSA-N -1 0 339.480 3.566 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)Nc2ccccc2CCC(F)(F)F)C1 ZINC000832298040 603729173 /nfs/dbraw/zinc/72/91/73/603729173.db2.gz RAQBHUHHDKYVCI-VXGBXAGGSA-N -1 0 344.333 3.556 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)c2ccc(CNC(=O)[O-])o2)cc1 ZINC000824246053 603771734 /nfs/dbraw/zinc/77/17/34/603771734.db2.gz ZLZZLKPZIKQLSB-UHFFFAOYSA-N -1 0 346.383 3.724 20 0 EHADRM C[C@H](NC(=O)[C@H](C)Oc1ccc(NC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000825616474 603780109 /nfs/dbraw/zinc/78/01/09/603780109.db2.gz DOJWBOGZABFJPY-RYUDHWBXSA-N -1 0 346.358 3.560 20 0 EHADRM CCc1ccc(CN(C)C(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc1 ZINC000827583827 603816929 /nfs/dbraw/zinc/81/69/29/603816929.db2.gz NEKIBRJPKPJAHB-AYHJJNSGSA-N -1 0 344.455 3.519 20 0 EHADRM CC(C)Nc1cc(F)ccc1NC(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000824382089 603829679 /nfs/dbraw/zinc/82/96/79/603829679.db2.gz LEAUKFNIPXCXLD-UHFFFAOYSA-N -1 0 345.374 3.917 20 0 EHADRM O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)N(Cc1cccs1)C1CC1)C2 ZINC000831298693 603834244 /nfs/dbraw/zinc/83/42/44/603834244.db2.gz HYRUZDOWYUBYHZ-LQDVMPOASA-N -1 0 348.468 3.550 20 0 EHADRM O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)N1CCC[C@H]1C1CCCCC1)C2 ZINC000831298689 603851668 /nfs/dbraw/zinc/85/16/68/603851668.db2.gz HXMCKSGRHQSQFW-ONQFOCNCSA-N -1 0 348.487 3.869 20 0 EHADRM CCO[C@@H](CCNC(=O)c1ccc(NC(=O)[O-])cc1Cl)C(C)C ZINC000827370623 603878040 /nfs/dbraw/zinc/87/80/40/603878040.db2.gz DTZIUTPFDBQHDL-AWEZNQCLSA-N -1 0 342.823 3.611 20 0 EHADRM CC[C@H](Oc1ccccc1C)c1nc([C@H](C)CN(C)C(=O)[O-])no1 ZINC000826632851 603880268 /nfs/dbraw/zinc/88/02/68/603880268.db2.gz UKKSQSHGFBUAMU-OLZOCXBDSA-N -1 0 333.388 3.621 20 0 EHADRM CCc1ccc(O)c(NC(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000827589403 603894913 /nfs/dbraw/zinc/89/49/13/603894913.db2.gz KDXOXGZWWRPFRE-OAHLLOKOSA-N -1 0 342.395 3.682 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)c1ccccc1OC(F)F ZINC000831797819 603942804 /nfs/dbraw/zinc/94/28/04/603942804.db2.gz WAVHQTWTCVSFOG-UHFFFAOYSA-N -1 0 348.305 3.581 20 0 EHADRM Cc1cccc(C2(C(=O)Nc3cccc4c3CCN4C(=O)[O-])CC2)c1 ZINC000830491328 603952672 /nfs/dbraw/zinc/95/26/72/603952672.db2.gz AYGRNQHWQYCDDC-UHFFFAOYSA-N -1 0 336.391 3.706 20 0 EHADRM CCC(CC)[C@H](NC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1)c1cccs1 ZINC000826566804 603954875 /nfs/dbraw/zinc/95/48/75/603954875.db2.gz XPEVLMXPXYIDCA-YDHLFZDLSA-N -1 0 338.473 3.778 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000827508667 603973380 /nfs/dbraw/zinc/97/33/80/603973380.db2.gz PZKOFLJBIAQEKV-ONGXEEELSA-N -1 0 342.848 3.827 20 0 EHADRM CC[C@@H]1CCCCCN1C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000826669864 603981652 /nfs/dbraw/zinc/98/16/52/603981652.db2.gz ZYGCKZOEQMPBRP-CYBMUJFWSA-N -1 0 331.416 3.914 20 0 EHADRM CCc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)o1 ZINC000827582893 603988474 /nfs/dbraw/zinc/98/84/74/603988474.db2.gz CJUIKEURZZHZCQ-DZKIICNBSA-N -1 0 348.443 3.722 20 0 EHADRM Cc1nc(CCCC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)cs1 ZINC000830741510 603989931 /nfs/dbraw/zinc/98/99/31/603989931.db2.gz JAYMRFVHERUJKE-NSHDSACASA-N -1 0 347.440 3.742 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])C(C)(C)C1 ZINC000826015513 604012884 /nfs/dbraw/zinc/01/28/84/604012884.db2.gz ZQLIZBHXUPOZOY-GFCCVEGCSA-N -1 0 331.416 3.770 20 0 EHADRM Cn1cnc2cc(NC(=O)c3ccc(NC(=O)[O-])cc3Cl)ccc21 ZINC000831040923 604013718 /nfs/dbraw/zinc/01/37/18/604013718.db2.gz CVERYNZWVUOCQS-UHFFFAOYSA-N -1 0 344.758 3.569 20 0 EHADRM O=C([O-])N1[C@@H]2CC[C@H]1CN(C(=O)Nc1ccc3ccccc3c1)CC2 ZINC000831778588 604120613 /nfs/dbraw/zinc/12/06/13/604120613.db2.gz RPZCUQDSPJEDHG-SJORKVTESA-N -1 0 339.395 3.588 20 0 EHADRM CCS[C@H]1CCC[C@@H]1NC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000827503724 604127536 /nfs/dbraw/zinc/12/75/36/604127536.db2.gz LIHJEBUCOSJJIH-AAEUAGOBSA-N -1 0 341.408 3.711 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NCc2noc(-c3cccs3)n2)cc1 ZINC000825449027 604130668 /nfs/dbraw/zinc/13/06/68/604130668.db2.gz JVRRKVQCYNGSDN-SNVBAGLBSA-N -1 0 344.396 3.739 20 0 EHADRM O=C([O-])N1CCc2c(cccc2NC(=O)N2CCC[C@H]3CCC[C@H]32)C1 ZINC000832079078 604138538 /nfs/dbraw/zinc/13/85/38/604138538.db2.gz CXGRSUYQTCFHJA-CXAGYDPISA-N -1 0 343.427 3.519 20 0 EHADRM CC(C)C[C@H](C)OCCC(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000824183145 604217963 /nfs/dbraw/zinc/21/79/63/604217963.db2.gz OCRVZGSSKCWLGN-ZDUSSCGKSA-N -1 0 334.416 3.507 20 0 EHADRM COc1cc(NC(=O)C/C=C\c2cccc(F)c2)ccc1NC(=O)[O-] ZINC000829153566 604245868 /nfs/dbraw/zinc/24/58/68/604245868.db2.gz IGNKSFAVZOQBRF-HYXAFXHYSA-N -1 0 344.342 3.966 20 0 EHADRM CSCc1ccc(C(=O)NCCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738195563 604250385 /nfs/dbraw/zinc/25/03/85/604250385.db2.gz WUVNCMGTIGOYOH-UHFFFAOYSA-N -1 0 344.436 3.612 20 0 EHADRM CC(C)N(C(=O)CNc1ccc([C@H](C)NC(=O)[O-])cc1)C1CCCC1 ZINC000825449228 604270487 /nfs/dbraw/zinc/27/04/87/604270487.db2.gz MBQBYNRBDWUNHD-AWEZNQCLSA-N -1 0 347.459 3.607 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N(C)Cc1csc2ccccc12 ZINC000832846495 604283363 /nfs/dbraw/zinc/28/33/63/604283363.db2.gz QKBJUIJNUUXLHS-UHFFFAOYSA-N -1 0 342.420 3.817 20 0 EHADRM CC(C)[C@H]1CN(C(=O)c2ccc(C(=O)[O-])c(F)c2)c2ccccc2N1 ZINC000826741801 604295696 /nfs/dbraw/zinc/29/56/96/604295696.db2.gz PIITVKUEPBCION-MRXNPFEDSA-N -1 0 342.370 3.621 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])c(F)c2)[C@@H]1c1cccc(F)c1 ZINC000828284088 604297987 /nfs/dbraw/zinc/29/79/87/604297987.db2.gz CENBUNQJWMBANI-GTNSWQLSSA-N -1 0 345.345 3.886 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)Nc1ccc(F)c(F)c1)c1ccccc1 ZINC000826103360 604307383 /nfs/dbraw/zinc/30/73/83/604307383.db2.gz PVOATTXGHXGEPV-HNNXBMFYSA-N -1 0 348.349 3.938 20 0 EHADRM COc1ccc(CNC(=O)Nc2cccc(NC(=O)[O-])c2)cc1Cl ZINC000832335829 604325883 /nfs/dbraw/zinc/32/58/83/604325883.db2.gz BCBDSYVMFJRQPN-UHFFFAOYSA-N -1 0 349.774 3.760 20 0 EHADRM C[C@H](CC(=O)Nc1cccc(C(F)F)c1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824695176 604327615 /nfs/dbraw/zinc/32/76/15/604327615.db2.gz JSDFJDGULRVLBE-YPMHNXCESA-N -1 0 340.370 3.979 20 0 EHADRM Cc1cccc(-c2cncc(C(=O)Nc3ccccc3CC(=O)[O-])c2)c1 ZINC000431666621 604331212 /nfs/dbraw/zinc/33/12/12/604331212.db2.gz UZCPQPXEDKWOTJ-UHFFFAOYSA-N -1 0 346.386 3.936 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)c2cccc(Cl)c2F)c1 ZINC000829469183 604332291 /nfs/dbraw/zinc/33/22/91/604332291.db2.gz GJQUTLRREBNPBY-UHFFFAOYSA-N -1 0 338.722 3.830 20 0 EHADRM COc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1Cl ZINC000832336464 604334048 /nfs/dbraw/zinc/33/40/48/604334048.db2.gz SCOOETSXRKNGJU-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM C[C@](CNC(=O)[O-])(NCc1ncc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000824953788 604341235 /nfs/dbraw/zinc/34/12/35/604341235.db2.gz XOVVVQMXENAWEE-QGZVFWFLSA-N -1 0 349.818 3.521 20 0 EHADRM Cc1cccc(C)c1CCNC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000832964472 604360790 /nfs/dbraw/zinc/36/07/90/604360790.db2.gz KMXHBHHFQUAAHM-UHFFFAOYSA-N -1 0 330.359 3.505 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)/C=C/c1ccsc1)c1ccccc1 ZINC000826091106 604372777 /nfs/dbraw/zinc/37/27/77/604372777.db2.gz ZWFSLFJXQBYEFK-ROJDOSBLSA-N -1 0 329.421 3.730 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1nccc2ccccc21)c1ccccc1 ZINC000826106061 604375438 /nfs/dbraw/zinc/37/54/38/604375438.db2.gz QNKYDGRZVPWJOX-GOSISDBHSA-N -1 0 348.402 3.817 20 0 EHADRM CC(=O)c1csc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])c1 ZINC000825966563 604380642 /nfs/dbraw/zinc/38/06/42/604380642.db2.gz HBUVOCMKNJWLDH-OAHLLOKOSA-N -1 0 345.420 3.533 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1cc2ccsc2[nH]1)c1ccccc1 ZINC000826103058 604382815 /nfs/dbraw/zinc/38/28/15/604382815.db2.gz MLVQMXAJKPUCTG-CQSZACIVSA-N -1 0 342.420 3.811 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000829010020 604393190 /nfs/dbraw/zinc/39/31/90/604393190.db2.gz ZCGFZSNTDAUIPH-IRXDYDNUSA-N -1 0 347.455 3.693 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000825383812 604427670 /nfs/dbraw/zinc/42/76/70/604427670.db2.gz XEXQFFSNUJCWQQ-ZIAGYGMSSA-N -1 0 341.411 3.576 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)CCc1ccc(F)cc1 ZINC000829028146 604428175 /nfs/dbraw/zinc/42/81/75/604428175.db2.gz SSUCUAIMTJFTGH-GOSISDBHSA-N -1 0 343.398 3.823 20 0 EHADRM CCCOc1cccc(CC(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000829542001 604445966 /nfs/dbraw/zinc/44/59/66/604445966.db2.gz ZQLGEFAEBGJYNN-SFHVURJKSA-N -1 0 346.354 3.526 20 0 EHADRM CC1(C)C[C@H](NC(=O)Nc2ccc(CC(=O)[O-])cc2)c2ccccc21 ZINC000828055963 604451135 /nfs/dbraw/zinc/45/11/35/604451135.db2.gz KRYVEJGTUCZKBV-KRWDZBQOSA-N -1 0 338.407 3.858 20 0 EHADRM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCC[C@H]2c2ccsc2)c1 ZINC000568060848 604456995 /nfs/dbraw/zinc/45/69/95/604456995.db2.gz QRFYJQPXDWJALA-IRXDYDNUSA-N -1 0 347.436 3.728 20 0 EHADRM CC(C)(C)SCCCC(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC000833447350 604463958 /nfs/dbraw/zinc/46/39/58/604463958.db2.gz PNFFNJANHRHUJQ-UHFFFAOYSA-N -1 0 327.421 3.555 20 0 EHADRM C[C@H]1CSc2ccccc2N(C(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000833633056 604485210 /nfs/dbraw/zinc/48/52/10/604485210.db2.gz RVJJLIIWOHJCPP-GFCCVEGCSA-N -1 0 327.405 3.773 20 0 EHADRM O=C([O-])c1csc(NC(=O)N(Cc2cccc(F)c2)C2CC2)c1 ZINC000833340644 604493851 /nfs/dbraw/zinc/49/38/51/604493851.db2.gz LSIZCPDUCMGOLM-UHFFFAOYSA-N -1 0 334.372 3.782 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)Nc2cc(C(=O)[O-])cs2)n1 ZINC000832967573 604500931 /nfs/dbraw/zinc/50/09/31/604500931.db2.gz IGQQKBVFUGPRPT-CYBMUJFWSA-N -1 0 331.397 3.519 20 0 EHADRM CCN(C(=O)Nc1cc(C(=O)[O-])cs1)[C@H](C)c1cccc(O)c1 ZINC000829596717 604502615 /nfs/dbraw/zinc/50/26/15/604502615.db2.gz BAAKUHMYUAVTJY-SNVBAGLBSA-N -1 0 334.397 3.767 20 0 EHADRM CCOC(=O)Nc1ccc(NC(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000829866181 604518507 /nfs/dbraw/zinc/51/85/07/604518507.db2.gz QPDKLWIYXXIQDS-UHFFFAOYSA-N -1 0 349.368 3.659 20 0 EHADRM CC(C)[C@H](NC(=O)N1CCC[C@H]1CC(=O)[O-])c1ccccc1Cl ZINC000826700394 604519738 /nfs/dbraw/zinc/51/97/38/604519738.db2.gz SCZGVKKCZAWAHU-LRDDRELGSA-N -1 0 338.835 3.686 20 0 EHADRM CC[C@@H]1CCCN(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000829125129 604523063 /nfs/dbraw/zinc/52/30/63/604523063.db2.gz GCUFRXJDYCCXBT-GDBMZVCRSA-N -1 0 332.444 3.670 20 0 EHADRM O=C([O-])[C@@H]1CCCN1Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000263388707 604523982 /nfs/dbraw/zinc/52/39/82/604523982.db2.gz DQJAPMSAIPNCDY-ZDUSSCGKSA-N -1 0 328.393 3.605 20 0 EHADRM O=C([O-])c1cc(CN2CCc3sccc3[C@@H]2c2cccs2)c[nH]1 ZINC000833779898 604524163 /nfs/dbraw/zinc/52/41/63/604524163.db2.gz OPMOWZJRCDGDKL-MRXNPFEDSA-N -1 0 344.461 3.984 20 0 EHADRM Cc1ccc(NC(=O)NCc2ccc([C@H](C)NC(=O)[O-])cc2)c(C)c1 ZINC000830391031 604525481 /nfs/dbraw/zinc/52/54/81/604525481.db2.gz ZXXJGFYBOHXFLR-AWEZNQCLSA-N -1 0 341.411 3.954 20 0 EHADRM CN(C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])C(C1CC1)C1CC1 ZINC000830500602 604530096 /nfs/dbraw/zinc/53/00/96/604530096.db2.gz SXFGXKGAEUXGER-KRWDZBQOSA-N -1 0 344.455 3.669 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)cn1 ZINC000827117642 604533577 /nfs/dbraw/zinc/53/35/77/604533577.db2.gz GHWDLLGUFUXGNT-UHFFFAOYSA-N -1 0 330.409 3.706 20 0 EHADRM C[C@@H](N(C)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])C1(C)CC1 ZINC000827603507 604534163 /nfs/dbraw/zinc/53/41/63/604534163.db2.gz SFXYDIMLNZCYTF-UKRRQHHQSA-N -1 0 332.444 3.669 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)CCCOc2ccccc2)oc1C(=O)[O-] ZINC000832876265 604540354 /nfs/dbraw/zinc/54/03/54/604540354.db2.gz QXUOWICZZYQHJQ-CYBMUJFWSA-N -1 0 332.352 3.750 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)COc2cccc(Cl)c2)oc1C(=O)[O-] ZINC000832872049 604542059 /nfs/dbraw/zinc/54/20/59/604542059.db2.gz LQYJMVBELWSFKR-SNVBAGLBSA-N -1 0 338.743 3.623 20 0 EHADRM C/C(=C\c1ccccc1Cl)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000761977062 604542818 /nfs/dbraw/zinc/54/28/18/604542818.db2.gz FCKYQWYWSMENAK-ZRDIBKRKSA-N -1 0 345.782 3.845 20 0 EHADRM Cc1cncc(/C=C\C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)c1 ZINC000493498241 604544144 /nfs/dbraw/zinc/54/41/44/604544144.db2.gz YSNREIQVFATTRE-DAXSKMNVSA-N -1 0 340.379 3.527 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000236738613 604550728 /nfs/dbraw/zinc/55/07/28/604550728.db2.gz RVUXOGRKZFXXEV-UHFFFAOYSA-N -1 0 329.400 3.514 20 0 EHADRM CC(C)(C)Oc1cccc(CN2CC[C@H](C(=O)[O-])c3ccccc32)n1 ZINC000567368618 604563768 /nfs/dbraw/zinc/56/37/68/604563768.db2.gz COXFWCRCBWLESJ-INIZCTEOSA-N -1 0 340.423 3.837 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)Cc2c[nH]c3ccc(F)cc23)oc1C(=O)[O-] ZINC000832870989 604587797 /nfs/dbraw/zinc/58/77/97/604587797.db2.gz FBLFNCBKCHFDJF-SNVBAGLBSA-N -1 0 345.326 3.754 20 0 EHADRM Cc1cc([C@H](C)OC(=O)C[C@H]2OCCc3ccccc32)oc1C(=O)[O-] ZINC000832874492 604587922 /nfs/dbraw/zinc/58/79/22/604587922.db2.gz KNNQDZUTMWNCJK-BLLLJJGKSA-N -1 0 344.363 3.595 20 0 EHADRM CC(C)CSCCCNC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000833491368 604591958 /nfs/dbraw/zinc/59/19/58/604591958.db2.gz HTADDMXAWPGROO-UHFFFAOYSA-N -1 0 325.434 3.677 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)[C@H]2SCCc3ccccc32)oc1C(=O)[O-] ZINC000832876987 604592307 /nfs/dbraw/zinc/59/23/07/604592307.db2.gz RYIOCJASDZAQNI-BZNIZROVSA-N -1 0 346.404 3.921 20 0 EHADRM Cc1cc([C@H](C)OC(=O)[C@H]2C[C@@]23CCc2ccccc23)oc1C(=O)[O-] ZINC000832878961 604594283 /nfs/dbraw/zinc/59/42/83/604594283.db2.gz ZOFXYBBKECNNSI-PGICJIBASA-N -1 0 340.375 3.795 20 0 EHADRM O=C([O-])c1cc(CN2CCC[C@@H]2c2ccc(Br)cc2)c[nH]1 ZINC000833780141 604595445 /nfs/dbraw/zinc/59/54/45/604595445.db2.gz ROAFEEAQIFOIRZ-OAHLLOKOSA-N -1 0 349.228 3.813 20 0 EHADRM COc1cc(C)c(C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)cc1OC ZINC000831961589 604597435 /nfs/dbraw/zinc/59/74/35/604597435.db2.gz GNPUIMABCLKTAU-NSHDSACASA-N -1 0 348.351 3.530 20 0 EHADRM CC1(C)CCC[C@@H]1NC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833560443 604602407 /nfs/dbraw/zinc/60/24/07/604602407.db2.gz FKPGHMCECSBWCE-AWEZNQCLSA-N -1 0 336.457 3.954 20 0 EHADRM CC(C)CN(C(=O)NCc1ccc([C@@H](C)NC(=O)[O-])cc1)C(C)C ZINC000824251986 604612448 /nfs/dbraw/zinc/61/24/48/604612448.db2.gz RZLZFOLHWNECNS-CQSZACIVSA-N -1 0 335.448 3.591 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)Nc1ccc2c(c1)COC2)C(=O)[O-] ZINC000432096015 604616942 /nfs/dbraw/zinc/61/69/42/604616942.db2.gz RGQWMZQAYOVTBD-LLVKDONJSA-N -1 0 343.404 3.534 20 0 EHADRM CC1(C)CCC[C@H](CC(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)C1 ZINC000833560447 604621286 /nfs/dbraw/zinc/62/12/86/604621286.db2.gz FONYZBVVVUVTCV-LLVKDONJSA-N -1 0 336.457 3.943 20 0 EHADRM C[C@@H](CN(C)c1ncnc2sc(-c3ccccc3)cc21)C(=O)[O-] ZINC000827442170 604624813 /nfs/dbraw/zinc/62/48/13/604624813.db2.gz CMAUOBGQVCVSEE-NSHDSACASA-N -1 0 327.409 3.515 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCC2(Cc3ccccc3)CC2)c(F)c1 ZINC000833141397 604629208 /nfs/dbraw/zinc/62/92/08/604629208.db2.gz YCYAEHNENSCKKE-UHFFFAOYSA-N -1 0 342.370 3.668 20 0 EHADRM CC1(C)CO[C@@H](c2ccccc2Cl)CN1Cc1c[nH]c(C(=O)[O-])c1 ZINC000833561104 604642273 /nfs/dbraw/zinc/64/22/73/604642273.db2.gz NXXJWQJTOKQOEJ-MRXNPFEDSA-N -1 0 348.830 3.718 20 0 EHADRM CCc1ccccc1C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000766237311 604660004 /nfs/dbraw/zinc/66/00/04/604660004.db2.gz YPLAXUPLUDSDIP-INIZCTEOSA-N -1 0 331.799 3.848 20 0 EHADRM Cc1cc(C(=O)NCc2c3ccccc3sc2C(=O)[O-])oc1C ZINC000678982022 604685828 /nfs/dbraw/zinc/68/58/28/604685828.db2.gz MXTCEGPHHXGSFD-UHFFFAOYSA-N -1 0 329.377 3.739 20 0 EHADRM Cc1cc([C@H](C)Sc2nnc(-c3ccoc3C)n2C)oc1C(=O)[O-] ZINC000832873494 604697973 /nfs/dbraw/zinc/69/79/73/604697973.db2.gz KLVGLNYZDTVQKC-JTQLQIEISA-N -1 0 347.396 3.836 20 0 EHADRM CC(C)C(=O)Nc1ccc(OCc2ccc(C(=O)[O-])cc2F)cc1 ZINC000833466711 604702677 /nfs/dbraw/zinc/70/26/77/604702677.db2.gz MGWNNMKITPUZQL-UHFFFAOYSA-N -1 0 331.343 3.697 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H]2CCCc2ccccc2)C1 ZINC000263567078 604716737 /nfs/dbraw/zinc/71/67/37/604716737.db2.gz GJTHFPJAZBRYBZ-QRVBRYPASA-N -1 0 343.467 3.891 20 0 EHADRM CC(C)N(Cc1ccccc1F)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000833499725 604725133 /nfs/dbraw/zinc/72/51/33/604725133.db2.gz YBZXIKRALIYGLY-UHFFFAOYSA-N -1 0 329.371 3.504 20 0 EHADRM C[C@H](OC(=O)CCc1ccccc1C(=O)[O-])c1ncc(C(C)(C)C)o1 ZINC000833528492 604734802 /nfs/dbraw/zinc/73/48/02/604734802.db2.gz KLEZSEYOBWCCKW-LBPRGKRZSA-N -1 0 345.395 3.907 20 0 EHADRM C[C@H](c1ccco1)N(C(=O)C[C@H](C)C1CCN(C(=O)[O-])CC1)C1CC1 ZINC000824558235 604743111 /nfs/dbraw/zinc/74/31/11/604743111.db2.gz MGBCRJCPBMULSX-UONOGXRCSA-N -1 0 348.443 3.748 20 0 EHADRM O=C([O-])c1ccc(-c2nc(-c3nccc4ccccc43)no2)cc1F ZINC000833308521 604763181 /nfs/dbraw/zinc/76/31/81/604763181.db2.gz RFMJPZXTIDPMRI-UHFFFAOYSA-N -1 0 335.294 3.789 20 0 EHADRM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000537473547 604775931 /nfs/dbraw/zinc/77/59/31/604775931.db2.gz ZOZJOFQMKBVIQM-BLVKFPJESA-N -1 0 341.382 3.506 20 0 EHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000761951799 604778581 /nfs/dbraw/zinc/77/85/81/604778581.db2.gz YRYNBUKCIDLOLJ-SEYXRHQNSA-N -1 0 335.831 3.847 20 0 EHADRM CCC(=CC(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1)CC ZINC000828549756 604779467 /nfs/dbraw/zinc/77/94/67/604779467.db2.gz POKGRWGGHQUEOJ-UHFFFAOYSA-N -1 0 330.428 3.534 20 0 EHADRM O=C([O-])c1cccc(NC2CCN(C(=O)CC3=CCCCC3)CC2)c1 ZINC000833330732 604787120 /nfs/dbraw/zinc/78/71/20/604787120.db2.gz ZFDJHQOZCMUKLP-UHFFFAOYSA-N -1 0 342.439 3.678 20 0 EHADRM CC(C)C[C@@H](C)CC(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000826759817 604789416 /nfs/dbraw/zinc/78/94/16/604789416.db2.gz PYSPFYHMHQAGFD-OAHLLOKOSA-N -1 0 346.471 3.860 20 0 EHADRM O=C([O-])c1ccc(-c2noc([C@H]3CCCc4sccc43)n2)cc1 ZINC000322596069 604796852 /nfs/dbraw/zinc/79/68/52/604796852.db2.gz KZQAIMWYBOTANB-ZDUSSCGKSA-N -1 0 326.377 3.965 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)C2(Cc3ccc(Cl)cc3)CC2)c1 ZINC000833783373 604808250 /nfs/dbraw/zinc/80/82/50/604808250.db2.gz ACPKMNQUJNHXKI-UHFFFAOYSA-N -1 0 343.810 3.677 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N[C@H]1CC12CCCCC2)C(=O)[O-] ZINC000192972639 604818415 /nfs/dbraw/zinc/81/84/15/604818415.db2.gz TUUGKLLJOAYABE-WFASDCNBSA-N -1 0 333.453 3.704 20 0 EHADRM CCn1c2ccc(Cl)cc2nc1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833683308 604820316 /nfs/dbraw/zinc/82/03/16/604820316.db2.gz HXDNQZSTESDELV-MNOVXSKESA-N -1 0 349.818 3.539 20 0 EHADRM C[C@H](OC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1c(F)cc(F)cc1F ZINC000827828359 604820656 /nfs/dbraw/zinc/82/06/56/604820656.db2.gz ZMDKHNZHGGFSLU-IVZWLZJFSA-N -1 0 330.302 3.599 20 0 EHADRM CC(C)c1ncc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])s1 ZINC000827158588 604831561 /nfs/dbraw/zinc/83/15/61/604831561.db2.gz OMKATFLKBRBSKQ-CQSZACIVSA-N -1 0 346.452 3.848 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2ccc(SC(F)F)nc2)c1 ZINC000833291566 604840703 /nfs/dbraw/zinc/84/07/03/604840703.db2.gz LYSCORJDVJJPRW-UHFFFAOYSA-N -1 0 339.323 3.739 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)/C=C/c2ccsc2)cc1Cl ZINC000492383657 604849437 /nfs/dbraw/zinc/84/94/37/604849437.db2.gz BMFCKCYSHVJBMM-DAFODLJHSA-N -1 0 337.784 3.517 20 0 EHADRM C[C@@H]1CC[C@@H](CC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)C1 ZINC000828221855 604850256 /nfs/dbraw/zinc/85/02/56/604850256.db2.gz ZTTDJOODNNMYSP-GHMZBOCLSA-N -1 0 325.792 3.568 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@H]1CCCc2sccc21 ZINC000372961371 604855905 /nfs/dbraw/zinc/85/59/05/604855905.db2.gz ICFNRIZVAFBYRG-AWEZNQCLSA-N -1 0 345.420 3.579 20 0 EHADRM CC[C@](NC(=O)[C@@H]1CCCc2sccc21)(C(=O)[O-])c1ccccc1 ZINC000431427345 604861392 /nfs/dbraw/zinc/86/13/92/604861392.db2.gz MYPCAKAMUMKQIL-DNVCBOLYSA-N -1 0 343.448 3.674 20 0 EHADRM Cc1ccc(Cl)c(NC(=O)N2CCC[C@H]([C@H](C)NC(=O)[O-])C2)c1 ZINC000830324845 604864156 /nfs/dbraw/zinc/86/41/56/604864156.db2.gz VNOUFOHULUURSR-RYUDHWBXSA-N -1 0 339.823 3.548 20 0 EHADRM O=C([O-])c1ccc(C(=O)OCc2cc(F)cc3cccnc32)cc1F ZINC000833353564 604864707 /nfs/dbraw/zinc/86/47/07/604864707.db2.gz UYZWWAQJEICJBC-UHFFFAOYSA-N -1 0 343.285 3.568 20 0 EHADRM Cc1ccc(C)c([C@H]2CCCN2C(=O)c2ccc(CNC(=O)[O-])o2)c1 ZINC000830268716 604868433 /nfs/dbraw/zinc/86/84/33/604868433.db2.gz UTCBLEKDNALCRY-MRXNPFEDSA-N -1 0 342.395 3.641 20 0 EHADRM C/C(=C\C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1)C(C)(C)C ZINC000776688212 604870114 /nfs/dbraw/zinc/87/01/14/604870114.db2.gz MWXPJPMYBCMJQB-RCQQVGEISA-N -1 0 327.783 3.713 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000317339504 604871901 /nfs/dbraw/zinc/87/19/01/604871901.db2.gz XADRFYNPSCPXPD-JTQLQIEISA-N -1 0 326.780 3.575 20 0 EHADRM Cc1cnc(CNc2ccc(OCC(=O)[O-])c3ccccc23)s1 ZINC000833754202 604871971 /nfs/dbraw/zinc/87/19/71/604871971.db2.gz RCOXCNWDLDJVSV-UHFFFAOYSA-N -1 0 328.393 3.680 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(c2nc(-c3cccc(Cl)c3)no2)C1 ZINC000649405880 604872584 /nfs/dbraw/zinc/87/25/84/604872584.db2.gz SIDXFKWAHFBLEL-LBPRGKRZSA-N -1 0 349.818 3.717 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)Cc2cccc3ccccc32)C1 ZINC000392611113 604878604 /nfs/dbraw/zinc/87/86/04/604878604.db2.gz DVGLZNXUKIQWTA-QGZVFWFLSA-N -1 0 339.435 3.732 20 0 EHADRM Cc1ccc(SCC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c(C)c1 ZINC000013224776 604880413 /nfs/dbraw/zinc/88/04/13/604880413.db2.gz ZLXORZIRPVUHGA-INIZCTEOSA-N -1 0 343.448 3.728 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC000325412124 604883984 /nfs/dbraw/zinc/88/39/84/604883984.db2.gz DZDAPCYBBDWGDT-AWEZNQCLSA-N -1 0 349.858 3.721 20 0 EHADRM CC(C)Cc1ccc(CC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000833493113 604884513 /nfs/dbraw/zinc/88/45/13/604884513.db2.gz JJCCTMTUNQSPIH-GOSISDBHSA-N -1 0 345.483 3.777 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)o1 ZINC000326829713 604886798 /nfs/dbraw/zinc/88/67/98/604886798.db2.gz KSRQXNXXHBNTIC-FMKPAKJESA-N -1 0 347.455 3.685 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)/C=C\Sc2ccccc2)C1 ZINC000833414720 604887295 /nfs/dbraw/zinc/88/72/95/604887295.db2.gz CQORQXWJTWQVPW-GAJOTYCWSA-N -1 0 333.453 3.642 20 0 EHADRM C[C@@H]1CCc2c(C(=O)N3CCC[C@H](C(C)(C)C(=O)[O-])C3)csc2C1 ZINC000392018714 604889912 /nfs/dbraw/zinc/88/99/12/604889912.db2.gz XGYSOOLRGJISAY-OLZOCXBDSA-N -1 0 349.496 3.836 20 0 EHADRM C[C@]1(NC(=O)c2cccc(Cl)c2Cl)CCCC[C@H]1C(=O)[O-] ZINC000262821090 604890005 /nfs/dbraw/zinc/89/00/05/604890005.db2.gz PNJYSMHYVYFRRG-BONVTDFDSA-N -1 0 330.211 3.757 20 0 EHADRM CCOc1cccc(CCNC(=O)Nc2cccc(NC(=O)[O-])c2)c1 ZINC000830100092 604893326 /nfs/dbraw/zinc/89/33/26/604893326.db2.gz VNCWVNBLOJDGLG-UHFFFAOYSA-N -1 0 343.383 3.539 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)CCc2ccc(Cl)s2)C1 ZINC000679102015 604893620 /nfs/dbraw/zinc/89/36/20/604893620.db2.gz RKANJLIEOHJVCP-NSHDSACASA-N -1 0 343.876 3.684 20 0 EHADRM C[C@@H](CC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccccc1F ZINC000679101804 604894257 /nfs/dbraw/zinc/89/42/57/604894257.db2.gz OGZCERQYZMRZSX-KBPBESRZSA-N -1 0 335.419 3.669 20 0 EHADRM Cc1cc(NC(=O)NCCc2cc3ccccc3[nH]2)ccc1C(=O)[O-] ZINC000832894946 604895560 /nfs/dbraw/zinc/89/55/60/604895560.db2.gz OISDAJSJFCGYLJ-UHFFFAOYSA-N -1 0 337.379 3.539 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2ccccc2OCC(F)F)cc1 ZINC000832839024 604902766 /nfs/dbraw/zinc/90/27/66/604902766.db2.gz PBOTUDZESQCZBW-UHFFFAOYSA-N -1 0 336.294 3.673 20 0 EHADRM CC(C)c1cc(Br)ccc1NC(=O)CCCNC(=O)[O-] ZINC000833508324 604915472 /nfs/dbraw/zinc/91/54/72/604915472.db2.gz DQXVZDWWRQWESD-UHFFFAOYSA-N -1 0 343.221 3.559 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CCc2ccsc2C1)C(=O)[O-] ZINC000262733813 604916831 /nfs/dbraw/zinc/91/68/31/604916831.db2.gz HQDSNKSLNNLXKA-NSHDSACASA-N -1 0 347.461 3.512 20 0 EHADRM CCC[C@@H](CC)NC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000829216194 604925185 /nfs/dbraw/zinc/92/51/85/604925185.db2.gz JVULNLBNRCMZAN-SNVBAGLBSA-N -1 0 328.796 3.504 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC000237545207 604936958 /nfs/dbraw/zinc/93/69/58/604936958.db2.gz BWAAHDDBHGNGOS-QGZVFWFLSA-N -1 0 339.435 3.759 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC000833680761 604937872 /nfs/dbraw/zinc/93/78/72/604937872.db2.gz NNJAIVHOBKOVBH-VXGBXAGGSA-N -1 0 334.393 3.757 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2Cc2cccc(F)c2)cc1F ZINC000833309279 604941872 /nfs/dbraw/zinc/94/18/72/604941872.db2.gz CVVAPBWGQSERFV-OAHLLOKOSA-N -1 0 345.345 3.510 20 0 EHADRM CC(C)CC[C@H]1CCCN1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000826845175 604945034 /nfs/dbraw/zinc/94/50/34/604945034.db2.gz QQAQOBGBOJCSMN-OAHLLOKOSA-N -1 0 334.416 3.583 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)Nc2nc(CC(=O)[O-])cs2)cc1 ZINC000012027398 604948729 /nfs/dbraw/zinc/94/87/29/604948729.db2.gz FDZJQXQECRZEJA-LBPRGKRZSA-N -1 0 346.452 3.711 20 0 EHADRM Cc1cc(NC(=O)N2CCc3ccc(F)c(F)c3C2)ccc1C(=O)[O-] ZINC000832895632 604953754 /nfs/dbraw/zinc/95/37/54/604953754.db2.gz LZPLNEPKQVFLDN-UHFFFAOYSA-N -1 0 346.333 3.562 20 0 EHADRM COc1ccc2oc(C)c(C(=O)N[C@@]3(C)CCCC[C@@H]3C(=O)[O-])c2c1 ZINC000762219607 604960255 /nfs/dbraw/zinc/96/02/55/604960255.db2.gz AZSBDGPCGQBEEL-KUHUBIRLSA-N -1 0 345.395 3.513 20 0 EHADRM CCCC[C@H]1CCC[C@H]1NC(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000829305101 604966865 /nfs/dbraw/zinc/96/68/65/604966865.db2.gz QKPOJDRNPZAKDN-WCQYABFASA-N -1 0 339.461 3.641 20 0 EHADRM CCc1nc(C)c(C(=O)N(CC(=O)[O-])[C@@H](CC)c2ccccc2)s1 ZINC000833673004 604975908 /nfs/dbraw/zinc/97/59/08/604975908.db2.gz HBBXUSIEWUPBKX-AWEZNQCLSA-N -1 0 346.452 3.692 20 0 EHADRM C[C@H]1CC[C@H](COC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)O1 ZINC000833601648 604983775 /nfs/dbraw/zinc/98/37/75/604983775.db2.gz CWTAFEZRRTZXAZ-QPUJVOFHSA-N -1 0 347.289 3.520 20 0 EHADRM CCc1nc(NC(=O)[C@H]2CCSc3ccccc32)sc1C(=O)[O-] ZINC000833676737 604994284 /nfs/dbraw/zinc/99/42/84/604994284.db2.gz UVHBCHGTHGKNGO-JTQLQIEISA-N -1 0 348.449 3.622 20 0 EHADRM CCc1nc(NC(=O)C[C@H](C)c2cccc(OC)c2)sc1C(=O)[O-] ZINC000833676158 604995902 /nfs/dbraw/zinc/99/59/02/604995902.db2.gz LISCQWAFSLCJTB-JTQLQIEISA-N -1 0 348.424 3.545 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2O)C1 ZINC000326980143 604997437 /nfs/dbraw/zinc/99/74/37/604997437.db2.gz PKPGZCCIHDNECM-CQSZACIVSA-N -1 0 341.407 3.508 20 0 EHADRM CCc1nc(NC(=O)C23CC4CC(CC(C4)C2)C3)sc1C(=O)[O-] ZINC000833673299 604998655 /nfs/dbraw/zinc/99/86/55/604998655.db2.gz IGFDIHQIZVNWPG-UHFFFAOYSA-N -1 0 334.441 3.559 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)OCc1cc(Cl)cc2cccnc21 ZINC000833454488 605032419 /nfs/dbraw/zinc/03/24/19/605032419.db2.gz BPJSJPTUFKEVQE-UHFFFAOYSA-N -1 0 335.787 3.822 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)OCc1ccc(OC(F)(F)F)cc1 ZINC000833455402 605034350 /nfs/dbraw/zinc/03/43/50/605034350.db2.gz PRFGEQLGLYCGQS-UHFFFAOYSA-N -1 0 334.290 3.519 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)OCc1csc(Cc2ccccc2)n1 ZINC000833455593 605034422 /nfs/dbraw/zinc/03/44/22/605034422.db2.gz VNGBXLTVHNUKEH-UHFFFAOYSA-N -1 0 347.436 3.668 20 0 EHADRM Cc1ccc(F)c(NC(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000263492682 605036897 /nfs/dbraw/zinc/03/68/97/605036897.db2.gz PLJXSKXJAIAWAE-HNNXBMFYSA-N -1 0 344.386 3.732 20 0 EHADRM CC(C)c1cnc(CNc2ccc(Br)c(C(=O)[O-])c2)o1 ZINC000833511431 605039480 /nfs/dbraw/zinc/03/94/80/605039480.db2.gz RNGFEYWFQQKIGA-UHFFFAOYSA-N -1 0 339.189 3.871 20 0 EHADRM C[C@H](C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21)c1c(F)cccc1F ZINC000833402606 605039540 /nfs/dbraw/zinc/03/95/40/605039540.db2.gz QXEDKDFYOFEVLT-NWDGAFQWSA-N -1 0 345.345 3.673 20 0 EHADRM C[C@H](CC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000761619890 605065254 /nfs/dbraw/zinc/06/52/54/605065254.db2.gz MFAGDUPJXCFEMU-XIKOKIGWSA-N -1 0 347.361 3.743 20 0 EHADRM CC1(C)CC[C@H](C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC000833557734 605070844 /nfs/dbraw/zinc/07/08/44/605070844.db2.gz YGOAWOWEXIBZPA-AWEZNQCLSA-N -1 0 330.428 3.750 20 0 EHADRM CC(C)(C)c1ccc(-c2nnc(S[C@@H](C(=O)[O-])C3CC3)o2)cc1 ZINC000833450379 605071910 /nfs/dbraw/zinc/07/19/10/605071910.db2.gz QWMHVZHEFREARO-CYBMUJFWSA-N -1 0 332.425 3.989 20 0 EHADRM C[C@H](CC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccc(F)cc1F ZINC000581703533 605085128 /nfs/dbraw/zinc/08/51/28/605085128.db2.gz CQAIILFJJNIGNY-GFCCVEGCSA-N -1 0 339.382 3.562 20 0 EHADRM O=C([O-])N[C@H]1CCN(C(=O)Nc2ccccc2SC2CCCC2)C1 ZINC000740590734 605085329 /nfs/dbraw/zinc/08/53/29/605085329.db2.gz USHNJTHMMYQSST-LBPRGKRZSA-N -1 0 349.456 3.595 20 0 EHADRM C[C@H]1CC[C@]2(CCN(C(=O)Nc3ccc(CN(C)C(=O)[O-])cc3)C2)C1 ZINC000833612354 605096430 /nfs/dbraw/zinc/09/64/30/605096430.db2.gz TYHWZJRWTXZGML-LIRRHRJNSA-N -1 0 345.443 3.840 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cccc(COC(C)C)c1)C(=O)[O-] ZINC000833640989 605097507 /nfs/dbraw/zinc/09/75/07/605097507.db2.gz BMFSCVKUHQUWLI-UHFFFAOYSA-N -1 0 336.432 3.624 20 0 EHADRM CC(C)C[C@H](C)NC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000833475221 605103866 /nfs/dbraw/zinc/10/38/66/605103866.db2.gz OEJSIFXFSMUPRU-ZDUSSCGKSA-N -1 0 344.411 3.859 20 0 EHADRM CCS[C@H]1CC[C@H](N(C)C(=O)Nc2ccc(F)cc2C(=O)[O-])C1 ZINC000833668258 605134297 /nfs/dbraw/zinc/13/42/97/605134297.db2.gz QCFSUBAICFXQDL-RYUDHWBXSA-N -1 0 340.420 3.662 20 0 EHADRM CC(C)(C)Oc1cc(F)ccc1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833447163 605137092 /nfs/dbraw/zinc/13/70/92/605137092.db2.gz CRQFWPRJUNBXNK-VXGBXAGGSA-N -1 0 337.391 3.833 20 0 EHADRM CC1(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CCCCC1 ZINC000514950103 605144983 /nfs/dbraw/zinc/14/49/83/605144983.db2.gz DIAQCMSSAFZQCF-QGZVFWFLSA-N -1 0 342.439 3.640 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)(F)F)C1 ZINC000833601214 605147267 /nfs/dbraw/zinc/14/72/67/605147267.db2.gz KGLOYOTVTFJSNX-ZJUUUORDSA-N -1 0 345.317 3.701 20 0 EHADRM CC(C)(C)C[C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)[O-] ZINC000833429306 605149450 /nfs/dbraw/zinc/14/94/50/605149450.db2.gz JJXSHWPQGRJTDK-CYBMUJFWSA-N -1 0 346.456 3.657 20 0 EHADRM CC(C)(C)C[C@H](Sc1nc2ccccc2c(=O)n1C1CC1)C(=O)[O-] ZINC000833430599 605149955 /nfs/dbraw/zinc/14/99/55/605149955.db2.gz XQBBDTVEAOSQOR-AWEZNQCLSA-N -1 0 346.452 3.713 20 0 EHADRM CC(C)n1ccn(CN2CC[C@@H](C(=O)[O-])c3ccccc32)c1=S ZINC000833513244 605156455 /nfs/dbraw/zinc/15/64/55/605156455.db2.gz HMTLEYAFBUAHOH-CQSZACIVSA-N -1 0 331.441 3.636 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)c1C(C)C ZINC000833400889 605159406 /nfs/dbraw/zinc/15/94/06/605159406.db2.gz PCDLNCOSVGUSEM-LLVKDONJSA-N -1 0 347.367 3.858 20 0 EHADRM Cc1ccc(C(=O)O[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)nc1 ZINC000833747973 605160439 /nfs/dbraw/zinc/16/04/39/605160439.db2.gz QAZUSYRJBXAKEO-ZDUSSCGKSA-N -1 0 340.162 3.680 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)OCc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000833607083 605163962 /nfs/dbraw/zinc/16/39/62/605163962.db2.gz YXSFNDQVPLUMHP-RISCZKNCSA-N -1 0 345.420 3.988 20 0 EHADRM CC(C)(C)Oc1cc(F)ccc1NC(=O)NCCCCCC(=O)[O-] ZINC000417772137 605166204 /nfs/dbraw/zinc/16/62/04/605166204.db2.gz WBMVPADDPFWNIG-UHFFFAOYSA-N -1 0 340.395 3.770 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)Nc1cncc(C(=O)[O-])c1 ZINC000833505974 605172558 /nfs/dbraw/zinc/17/25/58/605172558.db2.gz ZCPDVWOKBQWCDT-UHFFFAOYSA-N -1 0 349.774 3.864 20 0 EHADRM CC(C)(Cc1ccccc1Cl)NC(=O)Nc1cncc(C(=O)[O-])c1 ZINC000833459699 605174475 /nfs/dbraw/zinc/17/44/75/605174475.db2.gz DORUEXMJQUPVPC-UHFFFAOYSA-N -1 0 347.802 3.576 20 0 EHADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000320467166 605180681 /nfs/dbraw/zinc/18/06/81/605180681.db2.gz PYJRBWCTZVAQIE-SNVBAGLBSA-N -1 0 333.775 3.658 20 0 EHADRM CC(C)(C)O[C@@H](C(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000833445801 605181305 /nfs/dbraw/zinc/18/13/05/605181305.db2.gz HVNKLNNDUQXARF-MRXNPFEDSA-N -1 0 327.380 3.880 20 0 EHADRM CC(C)(C)O[C@H](C(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC000833446120 605181553 /nfs/dbraw/zinc/18/15/53/605181553.db2.gz OZXAMJYRVBYNHF-SFHVURJKSA-N -1 0 341.407 3.809 20 0 EHADRM O=C([O-])c1sc(-c2ccccc2)cc1OCCOC[C@@H]1CCCO1 ZINC000833785306 605186559 /nfs/dbraw/zinc/18/65/59/605186559.db2.gz PBLCOPAYAUAXJK-AWEZNQCLSA-N -1 0 348.420 3.688 20 0 EHADRM C[C@@H]1CC[C@H](CC(=O)OCc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000833605470 605190911 /nfs/dbraw/zinc/19/09/11/605190911.db2.gz ZRWQBIWJSIZDNE-OLZOCXBDSA-N -1 0 343.379 3.909 20 0 EHADRM CCc1ccc([C@H](C)N[C@H](C(=O)OC)c2cccc(C(=O)[O-])c2)cc1 ZINC000833671483 605194273 /nfs/dbraw/zinc/19/42/73/605194273.db2.gz ZDMYQGWCPOIJLF-UGSOOPFHSA-N -1 0 341.407 3.512 20 0 EHADRM CC[C@H](C)Oc1cc(C(=O)Nc2ccc(NC(=O)[O-])cc2)ccn1 ZINC000833640895 605205611 /nfs/dbraw/zinc/20/56/11/605205611.db2.gz IJDVZTYAGMXXOW-NSHDSACASA-N -1 0 329.356 3.601 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(F)c(Cl)c1F)c1cccs1 ZINC000833772504 605216361 /nfs/dbraw/zinc/21/63/61/605216361.db2.gz AQMOCBLLUDGQBS-VIFPVBQESA-N -1 0 345.754 3.626 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000833641870 605231799 /nfs/dbraw/zinc/23/17/99/605231799.db2.gz QZAPFKLOSMKAJI-ZDUSSCGKSA-N -1 0 349.456 3.560 20 0 EHADRM Cc1sc(NC(=O)COc2ccc3c(c2)CCC3)c(C(=O)[O-])c1C ZINC000391789795 605237661 /nfs/dbraw/zinc/23/76/61/605237661.db2.gz YJJJUXPEDAFQNE-UHFFFAOYSA-N -1 0 345.420 3.569 20 0 EHADRM CC(C)CN(Cc1ccccc1)C(=O)Cc1ccccc1C(=O)[O-] ZINC000621541196 605240718 /nfs/dbraw/zinc/24/07/18/605240718.db2.gz WNGPLHMUYWUTER-UHFFFAOYSA-N -1 0 325.408 3.612 20 0 EHADRM CN(Cc1cc(F)c(F)c(F)c1)Cc1ccc(C(=O)[O-])cc1F ZINC000833694314 605246628 /nfs/dbraw/zinc/24/66/28/605246628.db2.gz PSMNUYFFBOMOKD-UHFFFAOYSA-N -1 0 327.277 3.573 20 0 EHADRM Cc1ccc(-c2n[nH]cc2CNc2ccc3c(c2)CCN3C(=O)[O-])o1 ZINC000830153868 605250272 /nfs/dbraw/zinc/25/02/72/605250272.db2.gz AVJLIJSCAGNMKI-UHFFFAOYSA-N -1 0 338.367 3.631 20 0 EHADRM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Cc2ccccc2C(=O)[O-])C1 ZINC000263285681 605251709 /nfs/dbraw/zinc/25/17/09/605251709.db2.gz PNADKULBBNHFDV-ACJLOTCBSA-N -1 0 341.382 3.676 20 0 EHADRM CC(C)c1cc(C(=O)Nc2ccc(C(=O)[O-])nc2)c2ccccc2n1 ZINC000833509019 605253612 /nfs/dbraw/zinc/25/36/12/605253612.db2.gz AWIFGXNEYYYWNC-UHFFFAOYSA-N -1 0 335.363 3.704 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000170739857 605255732 /nfs/dbraw/zinc/25/57/32/605255732.db2.gz MRYZPOZWYXWBKS-GFCCVEGCSA-N -1 0 341.860 3.884 20 0 EHADRM CCCN(C(=O)Nc1cc(C)cc(F)c1)C1CCN(C(=O)[O-])CC1 ZINC000826876253 605260263 /nfs/dbraw/zinc/26/02/63/605260263.db2.gz SYZBFRIZTPFXTQ-UHFFFAOYSA-N -1 0 337.395 3.520 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)Cc1ccccc1C(=O)[O-] ZINC000262721156 605267385 /nfs/dbraw/zinc/26/73/85/605267385.db2.gz FAFOQAYMXSXCIB-CHWSQXEVSA-N -1 0 341.382 3.601 20 0 EHADRM C/C(=C/C(=O)O[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[O-])C1CC1 ZINC000833384467 605279432 /nfs/dbraw/zinc/27/94/32/605279432.db2.gz RABQIONTMJFQLX-QQBNSCQMSA-N -1 0 342.313 3.601 20 0 EHADRM CCc1cc(N[C@H](C(=O)OC)c2cccc(C(=O)[O-])c2)ccc1C ZINC000833671186 605290170 /nfs/dbraw/zinc/29/01/70/605290170.db2.gz HJMRIIAXKVMPIY-KRWDZBQOSA-N -1 0 327.380 3.582 20 0 EHADRM CCC(CC)[C@H]1C[C@H](Nc2nc(Cl)c(C(=O)[O-])s2)CCO1 ZINC000833642233 605295075 /nfs/dbraw/zinc/29/50/75/605295075.db2.gz IUCPYRSHAVUNTB-NXEZZACHSA-N -1 0 332.853 3.890 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)Nc1ncccc1Cl)C(=O)[O-] ZINC000833544822 605300890 /nfs/dbraw/zinc/30/08/90/605300890.db2.gz JWXBYULGMNNWJD-VIFPVBQESA-N -1 0 336.800 3.553 20 0 EHADRM CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cccc(C(=O)[O-])c2)CC1 ZINC000309995704 605301295 /nfs/dbraw/zinc/30/12/95/605301295.db2.gz VQQNKJGGZYMYKS-CQSZACIVSA-N -1 0 334.416 3.586 20 0 EHADRM CC(C)(C)/C=C/C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000833422264 605308884 /nfs/dbraw/zinc/30/88/84/605308884.db2.gz DQNXGHIDBOYUMF-XEHSLEBBSA-N -1 0 343.345 3.940 20 0 EHADRM CC(C)(C)/C=C\C(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000833422262 605308978 /nfs/dbraw/zinc/30/89/78/605308978.db2.gz DQNXGHIDBOYUMF-LJTDUEICSA-N -1 0 343.345 3.940 20 0 EHADRM COCCC[C@H](C)C(=O)O[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000833725475 605314754 /nfs/dbraw/zinc/31/47/54/605314754.db2.gz ZGGVWRLOBWBEIB-TVQRCGJNSA-N -1 0 349.210 3.725 20 0 EHADRM CC[C@@H]1CN(C(=O)c2ccc(Cl)cc2Cl)CC[C@@H]1NC(=O)[O-] ZINC000833850840 605340756 /nfs/dbraw/zinc/34/07/56/605340756.db2.gz KNZJNMCRRQGPOG-RNCFNFMXSA-N -1 0 345.226 3.502 20 0 EHADRM Cc1c(NC(=O)Nc2cc(NC(=O)[O-])ccc2C)cnn1CC(C)C ZINC000833906471 605351886 /nfs/dbraw/zinc/35/18/86/605351886.db2.gz SPIPQEIVOKZIDQ-UHFFFAOYSA-N -1 0 345.403 3.890 20 0 EHADRM COCc1cccc(CN[C@@H](C(=O)[O-])c2c(F)cccc2Cl)c1 ZINC000833725693 605355788 /nfs/dbraw/zinc/35/57/88/605355788.db2.gz GBPLXDMKZVDQHK-MRXNPFEDSA-N -1 0 337.778 3.541 20 0 EHADRM Cc1cc(Nc2nc(Cl)c(C(=O)[O-])s2)nn1[C@@H](C)C1CC1 ZINC000833747146 605379764 /nfs/dbraw/zinc/37/97/64/605379764.db2.gz RXQHIUUAULYNPE-ZETCQYMHSA-N -1 0 326.809 3.714 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)Nc1ccc(CC(=O)[O-])cc1)C(F)(F)F ZINC000833425878 605394917 /nfs/dbraw/zinc/39/49/17/605394917.db2.gz YVQAFMGMQGHRCJ-LBPRGKRZSA-N -1 0 346.349 3.802 20 0 EHADRM CCC(CC)[C@@H]1C[C@H](NC(=O)Nc2ccc(NC(=O)[O-])cc2)CCO1 ZINC000833642294 605395493 /nfs/dbraw/zinc/39/54/93/605395493.db2.gz KDIMBXKVDTVVTO-CVEARBPZSA-N -1 0 349.431 3.882 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000431992832 605419483 /nfs/dbraw/zinc/41/94/83/605419483.db2.gz HHFDQMCPPPUXSK-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(-c3ncc[nH]3)c2)ccc1NC(=O)[O-] ZINC000829965682 605432743 /nfs/dbraw/zinc/43/27/43/605432743.db2.gz DNKDAAJMDLDCHN-UHFFFAOYSA-N -1 0 336.351 3.727 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N(Cc1ccccc1)c1ccncc1 ZINC000833451660 605507272 /nfs/dbraw/zinc/50/72/72/605507272.db2.gz UOGKAARMGIZKBL-UHFFFAOYSA-N -1 0 326.396 3.506 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000832342074 605529653 /nfs/dbraw/zinc/52/96/53/605529653.db2.gz VPJQWMIEBNRSTL-WCBMZHEXSA-N -1 0 332.734 3.652 20 0 EHADRM CCCN(C(=O)Nc1ccc(C)cc1F)C1CCN(C(=O)[O-])CC1 ZINC000826878833 605539075 /nfs/dbraw/zinc/53/90/75/605539075.db2.gz AOKMGXQGFPWHTL-UHFFFAOYSA-N -1 0 337.395 3.520 20 0 EHADRM Cc1nc(CCCC(=O)OCc2cccc(NC(=O)[O-])c2)cs1 ZINC000830742078 605550742 /nfs/dbraw/zinc/55/07/42/605550742.db2.gz XVKVNHYTCYPJNW-UHFFFAOYSA-N -1 0 334.397 3.608 20 0 EHADRM CC(C)[C@H](CNC(=O)Nc1cc(C(F)F)ccc1Cl)NC(=O)[O-] ZINC000824122227 605555249 /nfs/dbraw/zinc/55/52/49/605555249.db2.gz DTISXCBSIBBAJS-NSHDSACASA-N -1 0 349.765 3.691 20 0 EHADRM O=C([O-])N[C@@H](CC(=O)N1CCC[C@H]1c1ccsc1)c1ccccc1 ZINC000832093724 605588087 /nfs/dbraw/zinc/58/80/87/605588087.db2.gz PJZZRUSNYYSSDP-HOTGVXAUSA-N -1 0 344.436 3.811 20 0 EHADRM O=C([O-])N[C@H](CC(=O)Nc1ccc2ncccc2c1)c1ccccc1 ZINC000832113984 605588757 /nfs/dbraw/zinc/58/87/57/605588757.db2.gz PLPGUUXOEOBOBD-QGZVFWFLSA-N -1 0 335.363 3.572 20 0 EHADRM COc1ccc([C@H](C)N(C)C(=O)c2ccc(NC(=O)[O-])c(C)c2)cc1 ZINC000829303677 605591361 /nfs/dbraw/zinc/59/13/61/605591361.db2.gz QXGFEXLDCWLWFR-ZDUSSCGKSA-N -1 0 342.395 3.927 20 0 EHADRM Cc1cc(C(=O)N2CCCc3c(F)cc(F)cc32)ccc1NC(=O)[O-] ZINC000829929992 605612003 /nfs/dbraw/zinc/61/20/03/605612003.db2.gz GLEBCTPYRADCAG-UHFFFAOYSA-N -1 0 346.333 3.956 20 0 EHADRM CCN(Cc1ccccc1NC(=O)/C=C\c1cncc(C)c1)C(=O)[O-] ZINC000827182870 605616733 /nfs/dbraw/zinc/61/67/33/605616733.db2.gz UUFCTUSBGOFORP-HJWRWDBZSA-N -1 0 339.395 3.542 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCC[C@@H]2c2cccs2)c(O)c1 ZINC000834254307 605628381 /nfs/dbraw/zinc/62/83/81/605628381.db2.gz CCOFQUCAONIKBR-GFCCVEGCSA-N -1 0 332.381 3.521 20 0 EHADRM Cc1ncc(-c2ccc(N[C@H](C)[C@@H]3CCCN(C(=O)[O-])C3)cc2)o1 ZINC000833915983 605658578 /nfs/dbraw/zinc/65/85/78/605658578.db2.gz SREOFVYBZYKIPE-IUODEOHRSA-N -1 0 329.400 3.840 20 0 EHADRM O=C([O-])NC1CCC(Nc2cccc(NC(=O)c3ccoc3)c2)CC1 ZINC000834168113 605697841 /nfs/dbraw/zinc/69/78/41/605697841.db2.gz MQTXIUUOKLKIQM-UHFFFAOYSA-N -1 0 343.383 3.523 20 0 EHADRM C/C(=C/CN[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)C(=O)[O-] ZINC000833386185 605702139 /nfs/dbraw/zinc/70/21/39/605702139.db2.gz VVHTUWVGIVSEPZ-JYKYSHPRSA-N -1 0 341.251 3.929 20 0 EHADRM Cc1ccc(NC(=O)CC[C@H](NC(=O)[O-])c2ccccc2)c(C)c1O ZINC000833904422 605708949 /nfs/dbraw/zinc/70/89/49/605708949.db2.gz DGKWDCCESAFVLS-INIZCTEOSA-N -1 0 342.395 3.737 20 0 EHADRM Cc1cc(C(=O)N2CC[C@H](c3ccc(F)cc3)C2)ccc1NC(=O)[O-] ZINC000829924171 605709560 /nfs/dbraw/zinc/70/95/60/605709560.db2.gz DVCRSRAOCQEIPS-HNNXBMFYSA-N -1 0 342.370 3.854 20 0 EHADRM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000833606219 605713742 /nfs/dbraw/zinc/71/37/42/605713742.db2.gz OEXZGDNTVDZBNE-CBAPKCEASA-N -1 0 336.335 3.641 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)NCc2cccc(-c3ccccn3)c2)c1 ZINC000834263601 605719779 /nfs/dbraw/zinc/71/97/79/605719779.db2.gz CMERFIPTTJZTEV-UHFFFAOYSA-N -1 0 347.374 3.769 20 0 EHADRM O=C([O-])Nc1cccc(COC(=O)c2ncccc2C(F)(F)F)c1 ZINC000834267743 605722849 /nfs/dbraw/zinc/72/28/49/605722849.db2.gz ASLDYHQUVIWHQX-UHFFFAOYSA-N -1 0 340.257 3.547 20 0 EHADRM Cc1cncc(/C=C/c2nc([C@H]3CCCCCN3C(=O)[O-])no2)c1 ZINC000833912924 605723620 /nfs/dbraw/zinc/72/36/20/605723620.db2.gz VEZNDDCJQMMTLV-PSKZRQQASA-N -1 0 328.372 3.539 20 0 EHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(O)c2)cc1 ZINC000833450564 605754689 /nfs/dbraw/zinc/75/46/89/605754689.db2.gz VKWBMBVZRXZXTG-QGZVFWFLSA-N -1 0 341.407 3.636 20 0 EHADRM Cc1nc(C2CCCC2)sc1C(=O)N1CCCCC[C@H]1C(=O)[O-] ZINC000621568217 605794302 /nfs/dbraw/zinc/79/43/02/605794302.db2.gz ORXITJHTYCWXNA-ZDUSSCGKSA-N -1 0 336.457 3.579 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CN(C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)CC2 ZINC000191654072 605795142 /nfs/dbraw/zinc/79/51/42/605795142.db2.gz BWZHAVHAAQJOLV-HOTGVXAUSA-N -1 0 343.467 3.760 20 0 EHADRM C[C@H](CCC(=O)N(C)C1CCC(NC(=O)[O-])CC1)c1ccccc1 ZINC000833803744 605796065 /nfs/dbraw/zinc/79/60/65/605796065.db2.gz PFSJSFQRBMDVTH-ODIFPOPNSA-N -1 0 332.444 3.608 20 0 EHADRM C[C@H]1CN(Cc2cc(C(=O)[O-])ccc2F)C[C@H](c2ccc(F)cc2)O1 ZINC000833630092 605835419 /nfs/dbraw/zinc/83/54/19/605835419.db2.gz PUSFBCQNCIILEV-KPZWWZAWSA-N -1 0 347.361 3.625 20 0 EHADRM CC(C)(C)n1cnnc1SCc1cc(C(=O)[O-])ccc1Cl ZINC000833452290 605861993 /nfs/dbraw/zinc/86/19/93/605861993.db2.gz VMARYLVZRJPWMC-UHFFFAOYSA-N -1 0 325.821 3.677 20 0 EHADRM O=C([O-])NCCCCC(=O)N(Cc1cccc(F)c1)C1CCCC1 ZINC000834235456 605923282 /nfs/dbraw/zinc/92/32/82/605923282.db2.gz VXOIWJSPYMQPEI-UHFFFAOYSA-N -1 0 336.407 3.535 20 0 EHADRM O=C([O-])NCCCCC(=O)Nc1nc2ccccc2n1C1CCCC1 ZINC000834240626 605924346 /nfs/dbraw/zinc/92/43/46/605924346.db2.gz LHYONNGJLFFMPL-UHFFFAOYSA-N -1 0 344.415 3.528 20 0 EHADRM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc2ccccc21 ZINC000834096049 605944280 /nfs/dbraw/zinc/94/42/80/605944280.db2.gz GUHYYVVSMXLIJB-CABCVRRESA-N -1 0 339.395 3.588 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NC/C=C/c1ccccc1 ZINC000833906393 606013409 /nfs/dbraw/zinc/01/34/09/606013409.db2.gz COFGWMRWHRRTOE-VMPITWQZSA-N -1 0 325.368 3.920 20 0 EHADRM O=C([O-])Nc1ccccc1Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000834275465 606045206 /nfs/dbraw/zinc/04/52/06/606045206.db2.gz IYLCGLLQOJZPDQ-UHFFFAOYSA-N -1 0 331.278 3.696 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N1CCCC[C@@H]1c1ccco1 ZINC000834270363 606062431 /nfs/dbraw/zinc/06/24/31/606062431.db2.gz FSAJCBSKRQZGDX-OAHLLOKOSA-N -1 0 328.368 3.666 20 0 EHADRM CC(C)CSCCCNC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000833797472 606084686 /nfs/dbraw/zinc/08/46/86/606084686.db2.gz RRXMTLABIMYLKS-UHFFFAOYSA-N -1 0 344.864 3.939 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)OCc1ccc2ncccc2c1 ZINC000834274789 606092557 /nfs/dbraw/zinc/09/25/57/606092557.db2.gz MQUIPWNDRYIQNJ-UHFFFAOYSA-N -1 0 336.347 3.611 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)O[C@H]1CCc2ccc(F)cc21 ZINC000834275266 606093977 /nfs/dbraw/zinc/09/39/77/606093977.db2.gz VRRGMZXVLQKIKZ-INIZCTEOSA-N -1 0 329.327 3.689 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cccc2[nH]ccc21)c1ccc2ccccc2c1 ZINC000191476098 939037490 /nfs/dbraw/zinc/03/74/90/939037490.db2.gz YJHQKRCAYPSTHO-LJQANCHMSA-N -1 0 344.370 3.877 20 0 EHADRM CC[C@H](C)[C@@H](C)NC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000684737467 939038944 /nfs/dbraw/zinc/03/89/44/939038944.db2.gz WORFYQYCDLYGCI-AHIWAGSCSA-N -1 0 328.412 3.699 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000237354666 939046218 /nfs/dbraw/zinc/04/62/18/939046218.db2.gz OKVSZTPIFSKQKA-IAQYHMDHSA-N -1 0 349.839 3.763 20 0 EHADRM Cc1ccc(CCCCC(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000237703492 939048604 /nfs/dbraw/zinc/04/86/04/939048604.db2.gz VQYKEXWUNGMKJF-LJQANCHMSA-N -1 0 325.408 3.650 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000237838379 939050871 /nfs/dbraw/zinc/05/08/71/939050871.db2.gz STYHJLAIFFDLDM-HNNXBMFYSA-N -1 0 343.379 3.905 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CCc1ccc(-c2ccccc2)o1)c1ccccc1 ZINC000237991274 939053502 /nfs/dbraw/zinc/05/35/02/939053502.db2.gz WVOBIGWVVSRSMC-FQEVSTJZSA-N -1 0 349.386 3.821 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc2c(c1)Cc1ccccc1-2)c1ccccc1 ZINC000238027785 939055884 /nfs/dbraw/zinc/05/58/84/939055884.db2.gz FXFILHJMNIOPEL-FQEVSTJZSA-N -1 0 343.382 3.814 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1ccccc1 ZINC000238038763 939055924 /nfs/dbraw/zinc/05/59/24/939055924.db2.gz PCCBISNHQFAXHC-LJQANCHMSA-N -1 0 348.402 3.602 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2c(C(C)C)nc3ccccn32)c1 ZINC001600110109 970767103 /nfs/dbraw/zinc/76/71/03/970767103.db2.gz BRQZRHMBEJTTHM-UHFFFAOYSA-N -1 0 337.379 3.717 20 0 EHADRM CC[C@@](NC(=O)[C@@H](C)c1c(F)cccc1F)(C(=O)[O-])c1ccccc1 ZINC000263048022 939095275 /nfs/dbraw/zinc/09/52/75/939095275.db2.gz FERHWBGEPNRVSU-BUXKBTBVSA-N -1 0 347.361 3.575 20 0 EHADRM O=C([O-])[C@@H](NC(=O)/C=C/C1CCCCC1)c1ccc(Cl)c(F)c1 ZINC000776687837 939104477 /nfs/dbraw/zinc/10/44/77/939104477.db2.gz BPMVOPAFBUAMBF-FSNWXROXSA-N -1 0 339.794 3.858 20 0 EHADRM O=C([O-])[C@H](NC(=O)C=C1CCCCC1)c1ccc(Cl)c(F)c1 ZINC000776688465 939105537 /nfs/dbraw/zinc/10/55/37/939105537.db2.gz OUTHPLLOGWOOAL-OAHLLOKOSA-N -1 0 325.767 3.612 20 0 EHADRM C/C(=C/C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000776688469 939105597 /nfs/dbraw/zinc/10/55/97/939105597.db2.gz PAXHVGKMDQDIJN-FPISAVPCSA-N -1 0 347.773 3.825 20 0 EHADRM Cc1cc(C)cc([C@@H](NC(=O)CCCc2cccs2)C(=O)[O-])c1 ZINC000263178517 939107117 /nfs/dbraw/zinc/10/71/17/939107117.db2.gz WUQUDUAVYIPPFF-QGZVFWFLSA-N -1 0 331.437 3.630 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC000263206913 939109659 /nfs/dbraw/zinc/10/96/59/939109659.db2.gz ZFUVUSCNTDJJGV-MRXNPFEDSA-N -1 0 333.359 3.715 20 0 EHADRM Cc1ccc([C@H](NC(=O)CC(C)(C)C(F)(F)F)C(=O)[O-])cc1C ZINC000263548936 939115727 /nfs/dbraw/zinc/11/57/27/939115727.db2.gz VNJHFTUTSJXQNB-ZDUSSCGKSA-N -1 0 331.334 3.524 20 0 EHADRM CCC1CCC(NC(=O)Nc2cccc(SC)c2)(C(=O)[O-])CC1 ZINC000320258896 939123543 /nfs/dbraw/zinc/12/35/43/939123543.db2.gz RDTQUUNMVSMVIY-UHFFFAOYSA-N -1 0 336.457 3.954 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2c(cccc2F)s1)c1ccccc1 ZINC000321946600 939123968 /nfs/dbraw/zinc/12/39/68/939123968.db2.gz GFCCYIBZLSYQDF-OAHLLOKOSA-N -1 0 329.352 3.596 20 0 EHADRM CCCOc1ccc(NC(=O)NC2(C(=O)[O-])CCCCC2)c(C)c1 ZINC000780458365 939124942 /nfs/dbraw/zinc/12/49/42/939124942.db2.gz FRLMSDASQJVIBN-UHFFFAOYSA-N -1 0 334.416 3.693 20 0 EHADRM CCCCS[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000345814298 939128274 /nfs/dbraw/zinc/12/82/74/939128274.db2.gz VVQPZNXJBCYGNA-ZANVPECISA-N -1 0 347.839 3.643 20 0 EHADRM CCC1CCC(NC(=O)[C@H]2C[C@H]2c2sccc2C)(C(=O)[O-])CC1 ZINC000346015877 939128428 /nfs/dbraw/zinc/12/84/28/939128428.db2.gz NIQDKBMFMKMFRK-NTXUUIFSSA-N -1 0 335.469 3.700 20 0 EHADRM O=C([O-])C1(NC(=O)c2cc3c(ccc(Cl)c3Cl)[nH]2)CCCC1 ZINC000345800943 939128455 /nfs/dbraw/zinc/12/84/55/939128455.db2.gz CFNCHXZFCDKNGT-UHFFFAOYSA-N -1 0 341.194 3.602 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2cccc(SC(F)F)c2)CCCCC1 ZINC000780534328 939131426 /nfs/dbraw/zinc/13/14/26/939131426.db2.gz JEMXRQTVXWHYQN-UHFFFAOYSA-N -1 0 344.383 3.910 20 0 EHADRM CSc1cccc(NC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000390572442 939134839 /nfs/dbraw/zinc/13/48/39/939134839.db2.gz CMMRPFFBTPHLMS-QGZVFWFLSA-N -1 0 330.409 3.530 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1cc(Cl)c(Cl)c(Cl)c1)C1CC1 ZINC000404256467 939140213 /nfs/dbraw/zinc/14/02/13/939140213.db2.gz QCGSANYQDLDBRN-SNVBAGLBSA-N -1 0 337.590 3.632 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@H]1CCC[C@@H](F)C1)c1ccc(Cl)cc1Cl ZINC000425241901 939141680 /nfs/dbraw/zinc/14/16/80/939141680.db2.gz NYXHCJAIZPQGFA-PLMOITTCSA-N -1 0 348.201 3.764 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)NC3(C(=O)[O-])CCCCC3)s2)o1 ZINC000430331435 939148535 /nfs/dbraw/zinc/14/85/35/939148535.db2.gz LCWNASLQBKHFLC-UHFFFAOYSA-N -1 0 333.409 3.834 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccccn1 ZINC000788323557 939151236 /nfs/dbraw/zinc/15/12/36/939151236.db2.gz XAANNNCOOLPOCL-GOSISDBHSA-N -1 0 347.374 3.696 20 0 EHADRM CCC1CCC(NC(=O)c2cc(F)cc3cccnc32)(C(=O)[O-])CC1 ZINC000431782009 939155937 /nfs/dbraw/zinc/15/59/37/939155937.db2.gz NFKOQJWYOASQSG-UHFFFAOYSA-N -1 0 344.386 3.527 20 0 EHADRM CC(C)c1cc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)on1 ZINC000431878090 939166834 /nfs/dbraw/zinc/16/68/34/939166834.db2.gz OQWNDQBXLJFDLJ-KRWDZBQOSA-N -1 0 338.363 3.507 20 0 EHADRM CCCOc1cccc(NC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000797736372 939198765 /nfs/dbraw/zinc/19/87/65/939198765.db2.gz QFZKASUIHRJCQN-LJQANCHMSA-N -1 0 342.395 3.597 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@](C)(C(=O)[O-])c2ccc(F)cc2)s1 ZINC000455941818 939216408 /nfs/dbraw/zinc/21/64/08/939216408.db2.gz KOSPHWJLKPYZMH-KRWDZBQOSA-N -1 0 335.400 3.740 20 0 EHADRM CC[C@](NC(=O)[C@@H]1CC12CCCC2)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507316468 939235082 /nfs/dbraw/zinc/23/50/82/939235082.db2.gz GZBYCHIEWJNNIG-KBXCAEBGSA-N -1 0 335.831 3.726 20 0 EHADRM CCc1cc2c(CC(=O)NC3(C(=O)[O-])CCCC3)csc2s1 ZINC000864100683 939246622 /nfs/dbraw/zinc/24/66/22/939246622.db2.gz VHWIQTARNVQYLA-UHFFFAOYSA-N -1 0 337.466 3.581 20 0 EHADRM CSc1ccc(CCCC(=O)N[C@H](C(=O)[O-])c2cccs2)cc1 ZINC000520588341 939255027 /nfs/dbraw/zinc/25/50/27/939255027.db2.gz MHEBEIQYEXCYCB-INIZCTEOSA-N -1 0 349.477 3.735 20 0 EHADRM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)NC1(C(=O)[O-])CCC1 ZINC000900344037 939278108 /nfs/dbraw/zinc/27/81/08/939278108.db2.gz ZWFXQTVVYFDFJO-CQSZACIVSA-N -1 0 345.443 3.503 20 0 EHADRM Cc1cccc(CCC(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000539570055 939282278 /nfs/dbraw/zinc/28/22/78/939282278.db2.gz ZFSBQHGIBISEJW-QGZVFWFLSA-N -1 0 349.789 3.662 20 0 EHADRM C[C@@](NC(=O)NC1CCCC1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000559354313 939312211 /nfs/dbraw/zinc/31/22/11/939312211.db2.gz UQIQGKFFALSUJC-HNNXBMFYSA-N -1 0 345.226 3.535 20 0 EHADRM CC[C@@](NC(=O)c1ccoc1C1CC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000563202144 939338195 /nfs/dbraw/zinc/33/81/95/939338195.db2.gz UBHCFKXYGGBCOI-SFHVURJKSA-N -1 0 347.798 3.930 20 0 EHADRM CO[C@@H]1CCC[C@@H]([C@H](NC(=O)Nc2ccccc2C(C)C)C(=O)[O-])C1 ZINC000565042770 939346697 /nfs/dbraw/zinc/34/66/97/939346697.db2.gz AUIIMRKCRHOUJM-CPUCHLNUSA-N -1 0 348.443 3.590 20 0 EHADRM CSc1ccc(CCCC(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000566563437 939355067 /nfs/dbraw/zinc/35/50/67/939355067.db2.gz HYVFIRJGMCRADJ-SFHVURJKSA-N -1 0 343.448 3.673 20 0 EHADRM CCOc1cccc([C@@H](C)NC(=O)NC2(C(=O)[O-])CCCCCC2)c1 ZINC000569548852 939376340 /nfs/dbraw/zinc/37/63/40/939376340.db2.gz PUIMLVWMLIZODN-CQSZACIVSA-N -1 0 348.443 3.623 20 0 EHADRM CC(C)(C)c1ccc(SCC(=O)NC2(C(=O)[O-])CCCC2)cc1 ZINC000573237587 939406129 /nfs/dbraw/zinc/40/61/29/939406129.db2.gz QUKSSQXHLDTLJM-UHFFFAOYSA-N -1 0 335.469 3.590 20 0 EHADRM Cc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(F)c(C)c2)cc1C ZINC000574386252 939726179 /nfs/dbraw/zinc/72/61/79/939726179.db2.gz PZNCQJUPXBVITP-INIZCTEOSA-N -1 0 330.359 3.698 20 0 EHADRM CCC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC000575821476 939734171 /nfs/dbraw/zinc/73/41/71/939734171.db2.gz JOWSXPBXEOFSDW-GOEBONIOSA-N -1 0 346.452 3.584 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2cscc2C(F)F)C(=O)[O-])c1C ZINC000909801374 939738179 /nfs/dbraw/zinc/73/81/79/939738179.db2.gz MEBUWEJUZAHUPI-ZDUSSCGKSA-N -1 0 339.363 3.858 20 0 EHADRM CO[C@@H]1CCC[C@@H]([C@H](NC(=O)Nc2ccc(C(C)C)cc2)C(=O)[O-])C1 ZINC000576350577 939738668 /nfs/dbraw/zinc/73/86/68/939738668.db2.gz KYROLOYQBIQBEC-OIISXLGYSA-N -1 0 348.443 3.590 20 0 EHADRM CCOc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(C)c(C)c2)c1 ZINC000579072845 939759691 /nfs/dbraw/zinc/75/96/91/939759691.db2.gz PBMKUIFUXDGNDG-KRWDZBQOSA-N -1 0 342.395 3.650 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N[C@H](C(=O)[O-])c2cccnc2)cc1 ZINC000910982810 939764788 /nfs/dbraw/zinc/76/47/88/939764788.db2.gz QKHDXNJJNSMTJV-KUHUBIRLSA-N -1 0 340.423 3.641 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)N[C@H](C(=O)[O-])c2cccnc2)cc1 ZINC000910982811 939764797 /nfs/dbraw/zinc/76/47/97/939764797.db2.gz QKHDXNJJNSMTJV-LIRRHRJNSA-N -1 0 340.423 3.641 20 0 EHADRM CCC[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccccn1)c1cccc(Cl)c1 ZINC000911482676 939774247 /nfs/dbraw/zinc/77/42/47/939774247.db2.gz FLXIMTYIOCTSRO-ZBFHGGJFSA-N -1 0 346.814 3.561 20 0 EHADRM CC(C)Sc1ccc([C@@H](C)NC(=O)NC2(C(=O)[O-])CCC2)cc1 ZINC000581862090 939780573 /nfs/dbraw/zinc/78/05/73/939780573.db2.gz BXUQROAPSFIEGL-GFCCVEGCSA-N -1 0 336.457 3.555 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2ccsc2C(F)F)C(=O)[O-])c1C ZINC000923081305 939785051 /nfs/dbraw/zinc/78/50/51/939785051.db2.gz LZUIFMQEXDNGEQ-LBPRGKRZSA-N -1 0 339.363 3.858 20 0 EHADRM CCC[C@H](C(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1)c1ccccn1 ZINC000630247927 939820262 /nfs/dbraw/zinc/82/02/62/939820262.db2.gz LQOARRGHGFCEKC-IFXJQAMLSA-N -1 0 332.444 3.505 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1ccc(Cl)c(OC(F)F)c1)C1CCCC1 ZINC000663043823 939850885 /nfs/dbraw/zinc/85/08/85/939850885.db2.gz IWNDUTDCULVSJS-GFCCVEGCSA-N -1 0 347.745 3.771 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1ccc2oc(C3CC3)nc2c1)C1CCCC1 ZINC000663073192 939852661 /nfs/dbraw/zinc/85/26/61/939852661.db2.gz ZHBYFVYQJUEGKK-OAHLLOKOSA-N -1 0 328.368 3.535 20 0 EHADRM C[C@@H](NC(=O)[C@@H](C(=O)[O-])C1CCCC1)c1c(F)cccc1Cl ZINC000663097817 939854428 /nfs/dbraw/zinc/85/44/28/939854428.db2.gz FKYYPYJQVFETGV-OTYXRUKQSA-N -1 0 327.783 3.547 20 0 EHADRM C[C@H](Nc1ccc(NC(=O)[C@H](C(=O)[O-])C2CC2)cc1)c1ccccc1 ZINC000663096375 939854457 /nfs/dbraw/zinc/85/44/57/939854457.db2.gz LVMUGUKFMRWPKO-SCLBCKFNSA-N -1 0 338.407 3.909 20 0 EHADRM Cc1cc(Cl)c(C(=O)N[C@]2(C(=O)[O-])CCc3ccccc32)cc1C ZINC000683310529 939870660 /nfs/dbraw/zinc/87/06/60/939870660.db2.gz UZFGSUCFWOVQMH-LJQANCHMSA-N -1 0 343.810 3.613 20 0 EHADRM Cc1ccc(NC(=O)N[C@]2(C(=O)[O-])CCc3ccccc32)cc1Cl ZINC000683921392 939871152 /nfs/dbraw/zinc/87/11/52/939871152.db2.gz PYPHBZXCJRTUJU-GOSISDBHSA-N -1 0 344.798 3.696 20 0 EHADRM Cc1cc(C)c(C(=O)CCCC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(C)c1 ZINC001600147989 970770895 /nfs/dbraw/zinc/77/08/95/970770895.db2.gz XSGZTEKUYXSXGQ-INIZCTEOSA-N -1 0 347.455 3.580 20 0 EHADRM Cc1cnc(C(C)(C)NC(=O)Nc2cccc(CCC(=O)[O-])c2)s1 ZINC001600617382 970838008 /nfs/dbraw/zinc/83/80/08/970838008.db2.gz GFYCKGZGOPZMJL-UHFFFAOYSA-N -1 0 347.440 3.526 20 0 EHADRM C[C@H](c1cccs1)N(C)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000322363450 970878440 /nfs/dbraw/zinc/87/84/40/970878440.db2.gz BWEKEIKSTBALBL-GFCCVEGCSA-N -1 0 332.425 3.990 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)c2cc(Cl)ccc2F)c2ccccc21 ZINC000322382824 970880276 /nfs/dbraw/zinc/88/02/76/970880276.db2.gz NRQNYHMMZWUADB-LBPRGKRZSA-N -1 0 333.746 3.698 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)Nc2c(F)cccc2Cl)cc1 ZINC000322517866 970897819 /nfs/dbraw/zinc/89/78/19/970897819.db2.gz RTBVTKLCXOULNJ-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM Cc1c(C(=O)N2CC[C@H](C)C[C@@H]2C(=O)[O-])sc2cccc(F)c12 ZINC000322573415 970905028 /nfs/dbraw/zinc/90/50/28/970905028.db2.gz HHCGGLNIFRXSSI-JOYOIKCWSA-N -1 0 335.400 3.674 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cc2c(s1)CCCCCC2 ZINC000322898545 970942037 /nfs/dbraw/zinc/94/20/37/970942037.db2.gz FSQZYCZCIFIIRG-TZMCWYRMSA-N -1 0 335.469 3.732 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)c1cnc(Cl)c2ccccc12 ZINC000323108300 970967780 /nfs/dbraw/zinc/96/77/80/970967780.db2.gz DXMFCUPDLDMEBQ-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)Cc1csc(C2CCCC2)n1 ZINC001601373195 970985305 /nfs/dbraw/zinc/98/53/05/970985305.db2.gz HPNMBLDUYRKRHK-UHFFFAOYSA-N -1 0 336.438 3.742 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](c2nc(Cc3c(F)cccc3Cl)no2)C1 ZINC000323302765 970987584 /nfs/dbraw/zinc/98/75/84/970987584.db2.gz AVTMELIJTUBBSF-UWVGGRQHSA-N -1 0 338.766 3.811 20 0 EHADRM CCc1ccc(NC(=O)COc2ccccc2Cl)c(C(=O)[O-])c1 ZINC000323348423 970993984 /nfs/dbraw/zinc/99/39/84/970993984.db2.gz RUJCNTUSVVPAHQ-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM O=C([O-])c1cccc(NC(=O)NCc2cc(F)c(Cl)cc2F)c1 ZINC001601531339 971010399 /nfs/dbraw/zinc/01/03/99/971010399.db2.gz RSPMXUWBKWDRBL-UHFFFAOYSA-N -1 0 340.713 3.638 20 0 EHADRM O=C([O-])[C@@H](NC(=O)/C(=C/c1ccccc1)C(F)(F)F)c1ccccc1 ZINC001601567694 971018193 /nfs/dbraw/zinc/01/81/93/971018193.db2.gz XLOZQPRLBCIZHI-SZGZABIGSA-N -1 0 349.308 3.574 20 0 EHADRM CCN(CC)c1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000323867725 971048330 /nfs/dbraw/zinc/04/83/30/971048330.db2.gz HQQVZUZGXDRDML-UHFFFAOYSA-N -1 0 326.396 3.792 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCc2c[nH]c3ccccc23)ccc1F ZINC000324226792 971098979 /nfs/dbraw/zinc/09/89/79/971098979.db2.gz TXUHCLJAGXRHJY-UHFFFAOYSA-N -1 0 326.327 3.577 20 0 EHADRM O=C([O-])c1cccc(OCCOc2c(F)c(F)c(F)c(F)c2F)c1 ZINC000324852484 971162988 /nfs/dbraw/zinc/16/29/88/971162988.db2.gz KSDCDXCUUGMFQU-UHFFFAOYSA-N -1 0 348.223 3.538 20 0 EHADRM COc1ccc(C(=O)[O-])c(OCc2ccc(OC(F)(F)F)cc2)c1 ZINC000325088131 971183181 /nfs/dbraw/zinc/18/31/81/971183181.db2.gz MFGMXMSXYGNOJU-UHFFFAOYSA-N -1 0 342.269 3.871 20 0 EHADRM O=C([O-])c1ccc(C(=O)OCc2cc(-c3cccc(F)c3)on2)cc1 ZINC001602327445 971183269 /nfs/dbraw/zinc/18/32/69/971183269.db2.gz WLXMOBDBENNBQH-UHFFFAOYSA-N -1 0 341.294 3.536 20 0 EHADRM O=C([O-])c1cccc(CNc2ccc(NC(=O)c3ccccc3)cn2)c1 ZINC001602438159 971198182 /nfs/dbraw/zinc/19/81/82/971198182.db2.gz RFXPSRUOHHXBDY-UHFFFAOYSA-N -1 0 347.374 3.644 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000325285669 971201899 /nfs/dbraw/zinc/20/18/99/971201899.db2.gz VHJMAQBIXPLBQS-LLVKDONJSA-N -1 0 348.321 3.596 20 0 EHADRM O=C([O-])C1(CNC(=O)c2cccc(C(F)(F)F)c2F)CCCCC1 ZINC000325355921 971208251 /nfs/dbraw/zinc/20/82/51/971208251.db2.gz GKYZCOWWCKBBLI-UHFFFAOYSA-N -1 0 347.308 3.609 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCc2ccccc2Cl)c2ccccc21 ZINC000325431130 971214852 /nfs/dbraw/zinc/21/48/52/971214852.db2.gz RIEFOYAYJGVRCH-OAHLLOKOSA-N -1 0 343.810 3.878 20 0 EHADRM Cc1cc(C)cc(N(C)C(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC000325428370 971215080 /nfs/dbraw/zinc/21/50/80/971215080.db2.gz YVPJCIYLGYGQHW-UHFFFAOYSA-N -1 0 326.396 3.989 20 0 EHADRM O=C([O-])c1ccc2c(c1)N(C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)CC2 ZINC000325816965 971246438 /nfs/dbraw/zinc/24/64/38/971246438.db2.gz QRUAKEGRQGGVPU-OLZOCXBDSA-N -1 0 341.329 3.643 20 0 EHADRM CCCC[C@@H](CC)CNC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000326053217 971263573 /nfs/dbraw/zinc/26/35/73/971263573.db2.gz BXMKGAJPNLQCCF-RHSMWYFYSA-N -1 0 332.444 3.596 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cnc(Cl)c3ccccc23)c(F)c1 ZINC000326075817 971264533 /nfs/dbraw/zinc/26/45/33/971264533.db2.gz NKZPHNZBQFCUKY-UHFFFAOYSA-N -1 0 344.729 3.978 20 0 EHADRM Cc1ccc2oc(C(=O)N[C@@H](CC3CCCCC3)C(=O)[O-])cc2c1 ZINC000326189988 971272932 /nfs/dbraw/zinc/27/29/32/971272932.db2.gz AOSCLVCUGZHIGY-HNNXBMFYSA-N -1 0 329.396 3.895 20 0 EHADRM Cc1cc(F)ccc1COc1cn(-c2ccccc2)nc1C(=O)[O-] ZINC000326244322 971276569 /nfs/dbraw/zinc/27/65/69/971276569.db2.gz SWDVBSDVULTMLY-UHFFFAOYSA-N -1 0 326.327 3.597 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)N3CCc4ccc(C(=O)[O-])cc43)cc2C1 ZINC000326421946 971291916 /nfs/dbraw/zinc/29/19/16/971291916.db2.gz MWOSEVPMTPQOSN-LLVKDONJSA-N -1 0 341.432 3.774 20 0 EHADRM O=C([O-])/C=C\c1ccc(N2CCc3ccc(F)cc32)c([N+](=O)[O-])c1 ZINC000326440953 971294259 /nfs/dbraw/zinc/29/42/59/971294259.db2.gz ZJTICJWNSJWJAT-KXFIGUGUSA-N -1 0 328.299 3.526 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000326658184 971313873 /nfs/dbraw/zinc/31/38/73/971313873.db2.gz ZPKVLMFGOYXDTQ-HZSPNIEDSA-N -1 0 349.393 3.895 20 0 EHADRM CCC1CCC(NC(=O)COc2cccc(C(C)C)c2)(C(=O)[O-])CC1 ZINC000326706921 971318995 /nfs/dbraw/zinc/31/89/95/971318995.db2.gz XTBRKNTZJPTFQN-UHFFFAOYSA-N -1 0 347.455 3.729 20 0 EHADRM O=C([O-])CC1(CC(=O)N(Cc2ccco2)Cc2ccco2)CCCC1 ZINC000326803854 971329368 /nfs/dbraw/zinc/32/93/68/971329368.db2.gz FKPBEPYDOAWMCX-UHFFFAOYSA-N -1 0 345.395 3.827 20 0 EHADRM COc1cc(NC(=O)N[C@H](C)c2cc(C)sc2C)ccc1C(=O)[O-] ZINC000326889065 971341133 /nfs/dbraw/zinc/34/11/33/971341133.db2.gz FSRIUOJMBWUIKJ-SNVBAGLBSA-N -1 0 348.424 3.954 20 0 EHADRM O=C([O-])[C@@H]1Cc2ccccc2N(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000326895875 971342117 /nfs/dbraw/zinc/34/21/17/971342117.db2.gz HRJXVDCWQHSMAX-CYBMUJFWSA-N -1 0 346.770 3.512 20 0 EHADRM Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000327091972 971365266 /nfs/dbraw/zinc/36/52/66/971365266.db2.gz BFPCMLBWHFULLB-UHFFFAOYSA-N -1 0 342.351 3.518 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC000327563227 971408843 /nfs/dbraw/zinc/40/88/43/971408843.db2.gz ZFEMFSDWWPDQBN-CYBMUJFWSA-N -1 0 342.395 3.595 20 0 EHADRM CCOc1ccc(-n2nc(C(=O)[O-])cc2-c2ccccc2OC)cc1 ZINC000327574342 971409730 /nfs/dbraw/zinc/40/97/30/971409730.db2.gz BRHJUFSYGWCZTE-UHFFFAOYSA-N -1 0 338.363 3.645 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)c2ccc(F)c3ccccc23)c1 ZINC000327855813 971430083 /nfs/dbraw/zinc/43/00/83/971430083.db2.gz NNRGDAJXDXEGTN-UHFFFAOYSA-N -1 0 337.350 3.650 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)CCCSc1ccc(Cl)cc1 ZINC000037411638 948828302 /nfs/dbraw/zinc/82/83/02/948828302.db2.gz BWNBMSPDIMXXGW-UHFFFAOYSA-N -1 0 329.849 3.536 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1ccc(C(F)(F)F)cc1)CC2 ZINC000336895824 971516240 /nfs/dbraw/zinc/51/62/40/971516240.db2.gz ZTLCMNIINQZVNQ-UHFFFAOYSA-N -1 0 349.308 3.602 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)[O-] ZINC000339341936 971516515 /nfs/dbraw/zinc/51/65/15/971516515.db2.gz CTBUNSDLMSHMGY-BMIGLBTASA-N -1 0 345.420 3.537 20 0 EHADRM CN(Cc1cccc(Cl)c1Cl)C(=O)c1cccc(C(=O)[O-])c1 ZINC000345785547 971519836 /nfs/dbraw/zinc/51/98/36/971519836.db2.gz DCDXBVGXSDARHA-UHFFFAOYSA-N -1 0 338.190 3.964 20 0 EHADRM CCCC[C@@H](NC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000347256845 971522137 /nfs/dbraw/zinc/52/21/37/971522137.db2.gz GTZAUTLCXDJBIL-QMTHXVAHSA-N -1 0 346.254 3.932 20 0 EHADRM CCCC[C@H](NC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000347268291 971523013 /nfs/dbraw/zinc/52/30/13/971523013.db2.gz PQDQKVZUFXPBQB-BZSNNMDCSA-N -1 0 325.408 3.703 20 0 EHADRM C[C@H](C(=O)NC1(CC(=O)[O-])CCCCC1)c1cn(C)c2ccccc12 ZINC001602789034 971540515 /nfs/dbraw/zinc/54/05/15/971540515.db2.gz KVCZUTNUGRNYDR-AWEZNQCLSA-N -1 0 342.439 3.576 20 0 EHADRM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000358610256 971532148 /nfs/dbraw/zinc/53/21/48/971532148.db2.gz QAAPJAZEBWORIY-VIFPVBQESA-N -1 0 337.297 3.635 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N(C)c1ccc(F)cc1)C(=O)[O-] ZINC000362483488 971534888 /nfs/dbraw/zinc/53/48/88/971534888.db2.gz COYDJTDXMVMMGI-LLVKDONJSA-N -1 0 333.384 3.668 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H](c2ccc(F)cc2F)C2CC2)cc1 ZINC001595215392 949217159 /nfs/dbraw/zinc/21/71/59/949217159.db2.gz CKBLCXYWBMTAOI-INIZCTEOSA-N -1 0 331.318 3.544 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2ccc(SC(F)(F)F)o2)cc1 ZINC001595230752 949342541 /nfs/dbraw/zinc/34/25/41/949342541.db2.gz LUVZCVLKNSYWEY-UHFFFAOYSA-N -1 0 345.298 3.520 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1N(C)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589621243 949414175 /nfs/dbraw/zinc/41/41/75/949414175.db2.gz HVDZVNTZYZZGMY-LJIZCISZSA-N -1 0 338.492 3.732 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)[C@@H]2CCC[C@H]2Cc2ccccc2)c1 ZINC001595243416 949488109 /nfs/dbraw/zinc/48/81/09/949488109.db2.gz WEOBAHRRDACKNR-PKOBYXMFSA-N -1 0 337.419 3.660 20 0 EHADRM CC[C@@H](CC(=O)NCc1cccc(C(=O)[O-])c1)c1ccc(OC)cc1 ZINC000192874441 949510627 /nfs/dbraw/zinc/51/06/27/949510627.db2.gz YOQFMAGZNVVXDJ-HNNXBMFYSA-N -1 0 341.407 3.594 20 0 EHADRM CC(C)(CC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000193090752 949518823 /nfs/dbraw/zinc/51/88/23/949518823.db2.gz LXDNCQQWGQVDAN-NRFANRHFSA-N -1 0 339.435 3.513 20 0 EHADRM CCCC[C@@H]1CCC[C@@H]1NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001589639733 949671304 /nfs/dbraw/zinc/67/13/04/949671304.db2.gz JRZBPDMRNQCPRF-JLSDUUJJSA-N -1 0 344.455 3.739 20 0 EHADRM CCCCCCN(Cc1ccco1)C(=O)NCC1(C(=O)[O-])CCC1 ZINC001589645461 949725376 /nfs/dbraw/zinc/72/53/76/949725376.db2.gz CDTXRQRKHHDMJC-UHFFFAOYSA-N -1 0 336.432 3.626 20 0 EHADRM CCCCCc1ccc(NC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)cc1 ZINC001589646826 949742765 /nfs/dbraw/zinc/74/27/65/949742765.db2.gz SKKUVLAPJASQIP-RDJZCZTQSA-N -1 0 333.428 3.628 20 0 EHADRM CCCCCn1nc(C)cc1NC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001589648243 949761125 /nfs/dbraw/zinc/76/11/25/949761125.db2.gz QQYCVLXWAMSOPO-UHFFFAOYSA-N -1 0 329.400 3.641 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)/C=C/c2cc(Cl)cc(Cl)c2)C1 ZINC000379176628 971608953 /nfs/dbraw/zinc/60/89/53/971608953.db2.gz FNATXHFSLAKNPL-QYRYRTANSA-N -1 0 342.222 3.766 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)c1ccc(-c2cccc(F)c2)s1)C1CC1 ZINC001602814628 971609388 /nfs/dbraw/zinc/60/93/88/971609388.db2.gz DANRUMHCQYCAAB-SNVBAGLBSA-N -1 0 333.384 3.632 20 0 EHADRM CCCCc1ccc([C@H](NC(=O)c2cc(C(=O)[O-])n[nH]2)C(C)C)cc1 ZINC001589655806 949817305 /nfs/dbraw/zinc/81/73/05/949817305.db2.gz LXPALGGRAPRAFG-QGZVFWFLSA-N -1 0 343.427 3.578 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1ccccc1Oc1ccccc1)C(=O)[O-] ZINC000236594869 949927289 /nfs/dbraw/zinc/92/72/89/949927289.db2.gz LOAYRAROHGRPQK-MRXNPFEDSA-N -1 0 327.380 3.708 20 0 EHADRM C[C@H]1CCc2sc(C(=O)N3CCCC[C@@H]3CCC(=O)[O-])cc2C1 ZINC000237716665 949976594 /nfs/dbraw/zinc/97/65/94/949976594.db2.gz FXELFGJZBKVXOL-GXTWGEPZSA-N -1 0 335.469 3.732 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cnc(-c2ccccc2)s1 ZINC000237997028 949986068 /nfs/dbraw/zinc/98/60/68/949986068.db2.gz IJFAJNPGOLTWPH-CQSZACIVSA-N -1 0 344.436 3.670 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001589681437 950051828 /nfs/dbraw/zinc/05/18/28/950051828.db2.gz OSAXKFXVEKHIFA-PWSUYJOCSA-N -1 0 340.807 3.504 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000262058721 950057887 /nfs/dbraw/zinc/05/78/87/950057887.db2.gz CSPGWBSMPZEXSG-GOSISDBHSA-N -1 0 341.407 3.667 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000262073429 950060084 /nfs/dbraw/zinc/06/00/84/950060084.db2.gz KEHRTDQECOPFSI-NFAWXSAZSA-N -1 0 349.839 3.718 20 0 EHADRM CCCc1cc(C(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)sc1C ZINC001589689094 950102876 /nfs/dbraw/zinc/10/28/76/950102876.db2.gz LYNCKTVHTUYFFE-HNNXBMFYSA-N -1 0 335.400 3.704 20 0 EHADRM CCCn1c(C(=O)NCC(CC)(CC)C(=O)[O-])cc2ccccc21 ZINC001589695159 950160471 /nfs/dbraw/zinc/16/04/71/950160471.db2.gz ZEPXIHXSDFUIIP-UHFFFAOYSA-N -1 0 330.428 3.672 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000263033906 950224487 /nfs/dbraw/zinc/22/44/87/950224487.db2.gz BOTDLLGORFXHIK-BDAKNGLRSA-N -1 0 331.199 3.568 20 0 EHADRM CN(CCC(=O)[O-])C(=O)Nc1cc(Cl)ccc1OC1CCCC1 ZINC000263061363 950238382 /nfs/dbraw/zinc/23/83/82/950238382.db2.gz ONVWWYQJYAQVJW-UHFFFAOYSA-N -1 0 340.807 3.600 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N3C[C@H](C)C[C@H](C(=O)[O-])C3)o2)cc1 ZINC000263108069 950270734 /nfs/dbraw/zinc/27/07/34/950270734.db2.gz BMKLYZCEFCDFLH-CJNGLKHVSA-N -1 0 341.407 3.692 20 0 EHADRM CCSCc1ccc(NC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1 ZINC000263121827 950277675 /nfs/dbraw/zinc/27/76/75/950277675.db2.gz MCMKCZPKXFJGPS-JSGCOSHPSA-N -1 0 336.457 3.514 20 0 EHADRM Cc1cc([C@@H](NC(=O)NC2CCC(C(=O)[O-])CC2)C2CC2)ccc1F ZINC000263150538 950295776 /nfs/dbraw/zinc/29/57/76/950295776.db2.gz BBJDCFKYMZTERN-PGEKIEPBSA-N -1 0 348.418 3.528 20 0 EHADRM C[C@H](CN(C)C(=O)N[C@H](CC1CCCC1)c1ccccc1)C(=O)[O-] ZINC000263237970 950338137 /nfs/dbraw/zinc/33/81/37/950338137.db2.gz NHWLPYNQKNIDTG-RHSMWYFYSA-N -1 0 332.444 3.670 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccccc2Nc2ccccc2)C1 ZINC000263393606 950434795 /nfs/dbraw/zinc/43/47/95/950434795.db2.gz ZCMWBXZDQCDXNG-CABCVRRESA-N -1 0 338.407 3.613 20 0 EHADRM C[C@@H]1CN(c2ccccc2NCc2cccc(C(=O)[O-])c2)C[C@H](C)O1 ZINC000263462161 950474180 /nfs/dbraw/zinc/47/41/80/950474180.db2.gz JBDAFDVIERXHMG-GASCZTMLSA-N -1 0 340.423 3.611 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000263535139 950504945 /nfs/dbraw/zinc/50/49/45/950504945.db2.gz YTFJAVPATAOINN-GRYCIOLGSA-N -1 0 341.860 3.532 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC001602852586 971691216 /nfs/dbraw/zinc/69/12/16/971691216.db2.gz MTKUJNYKZGLSDQ-ZDUSSCGKSA-N -1 0 344.238 3.625 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1ncc(-c2ccccc2F)s1 ZINC001602852984 971694875 /nfs/dbraw/zinc/69/48/75/971694875.db2.gz HSZDDTWPORJCLH-GFCCVEGCSA-N -1 0 336.388 3.635 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000318543420 950928256 /nfs/dbraw/zinc/92/82/56/950928256.db2.gz LTYUGADWPLSEGO-SUNKGSAMSA-N -1 0 341.860 3.532 20 0 EHADRM CSc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000322386006 951029155 /nfs/dbraw/zinc/02/91/55/951029155.db2.gz OQKGMABJYDVOSA-OAHLLOKOSA-N -1 0 327.405 3.627 20 0 EHADRM Cc1cc(NC(=O)N[C@H](C(=O)[O-])c2ccccc2)c(Cl)cc1F ZINC000323441768 951045382 /nfs/dbraw/zinc/04/53/82/951045382.db2.gz CTQBTPYXFLVLBW-AWEZNQCLSA-N -1 0 336.750 3.735 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000323836039 951053115 /nfs/dbraw/zinc/05/31/15/951053115.db2.gz CARQUXXPNMQBHI-UHFFFAOYSA-N -1 0 329.283 3.536 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2csc(C3CCCCC3)n2)C1 ZINC001594993289 951055976 /nfs/dbraw/zinc/05/59/76/951055976.db2.gz YDDKZZOVROZOOL-LBPRGKRZSA-N -1 0 336.457 3.518 20 0 EHADRM Cc1cc(F)ccc1CCNC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000325666528 951088640 /nfs/dbraw/zinc/08/86/40/951088640.db2.gz IWBBAUALYVDWIT-UHFFFAOYSA-N -1 0 330.359 3.505 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)Nc2ccc(Cl)c(F)c2)Cc2ccccc21 ZINC000325607412 951089773 /nfs/dbraw/zinc/08/97/73/951089773.db2.gz IPWXUVKBTRWSRX-ZDUSSCGKSA-N -1 0 348.761 3.695 20 0 EHADRM Cc1c2ccccc2oc1C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000327547081 951116169 /nfs/dbraw/zinc/11/61/69/951116169.db2.gz RTGVUQHKBRJLPW-MRXNPFEDSA-N -1 0 335.359 3.565 20 0 EHADRM CC[C@H](NC(=O)c1cccc(OCC(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000345810270 951133926 /nfs/dbraw/zinc/13/39/26/951133926.db2.gz UYHHKVRLVVPHDI-INIZCTEOSA-N -1 0 347.798 3.685 20 0 EHADRM Cc1cccc(C2(C(=O)N3CCC(C)(C(=O)[O-])CC3)CCCC2)c1 ZINC000364203939 951139488 /nfs/dbraw/zinc/13/94/88/951139488.db2.gz ZQRKCSLAJBWPEX-UHFFFAOYSA-N -1 0 329.440 3.520 20 0 EHADRM Cc1cc(C)c(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)o1 ZINC000368886128 951143607 /nfs/dbraw/zinc/14/36/07/951143607.db2.gz AAEJJXJJGURBJL-UHFFFAOYSA-N -1 0 327.380 3.614 20 0 EHADRM COc1cc(C)ccc1NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000383799375 951260933 /nfs/dbraw/zinc/26/09/33/951260933.db2.gz ILRUHSKYZGDCIC-UHFFFAOYSA-N -1 0 328.368 3.665 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000387718695 951319195 /nfs/dbraw/zinc/31/91/95/951319195.db2.gz AFJIQVIUYNZEFZ-OAHLLOKOSA-N -1 0 328.771 3.588 20 0 EHADRM C[C@H]1CN(Cc2ccc(Br)c(Cl)c2)CC[C@H]1C(=O)[O-] ZINC000388376830 951329697 /nfs/dbraw/zinc/32/96/97/951329697.db2.gz MZBPTDATYZIFFJ-GXSJLCMTSA-N -1 0 346.652 3.645 20 0 EHADRM CCOc1ccc(CCN(C)C(=O)C2(C(=O)[O-])CCCCCC2)cc1 ZINC001592448165 951341809 /nfs/dbraw/zinc/34/18/09/951341809.db2.gz YJUNNKXSOZNWNM-UHFFFAOYSA-N -1 0 347.455 3.511 20 0 EHADRM CCOc1ccc(N(C)C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC001592663338 951344581 /nfs/dbraw/zinc/34/45/81/951344581.db2.gz NCZDMFFUWFBKGH-UHFFFAOYSA-N -1 0 332.331 3.591 20 0 EHADRM CCOc1ccc2ccccc2c1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001592815763 951367832 /nfs/dbraw/zinc/36/78/32/951367832.db2.gz MDHSCIVUIAXCLX-UHFFFAOYSA-N -1 0 336.347 3.584 20 0 EHADRM O=C([O-])CCCCC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC001595034190 951382845 /nfs/dbraw/zinc/38/28/45/951382845.db2.gz BLWVLYQJYICIOD-MRXNPFEDSA-N -1 0 327.783 3.691 20 0 EHADRM O=C([O-])CCNC(=O)N[C@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC001595059120 951509822 /nfs/dbraw/zinc/50/98/22/951509822.db2.gz TZOUREOBQROTMT-GJZGRUSLSA-N -1 0 338.835 3.530 20 0 EHADRM Cc1cccc(N2CCN(Cc3cccc(C(=O)[O-])c3Cl)CC2)c1 ZINC000381553259 971764577 /nfs/dbraw/zinc/76/45/77/971764577.db2.gz UZCATLXSXWJNMB-UHFFFAOYSA-N -1 0 344.842 3.669 20 0 EHADRM CC(C)(Cc1ccccc1Cl)NC(=O)NCCCCCC(=O)[O-] ZINC001602948844 971923716 /nfs/dbraw/zinc/92/37/16/971923716.db2.gz QQYZRJSTSDLBRQ-UHFFFAOYSA-N -1 0 340.851 3.605 20 0 EHADRM C[C@@H](NC(=O)N(C)CCCC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000414593988 953395708 /nfs/dbraw/zinc/39/57/08/953395708.db2.gz FJXNFKVDWRRFQB-SECBINFHSA-N -1 0 333.215 3.561 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)NCc1ccc(C2CCCCC2)cc1 ZINC000414610202 953398009 /nfs/dbraw/zinc/39/80/09/953398009.db2.gz NALUGYMIWAPYJF-UHFFFAOYSA-N -1 0 332.444 3.741 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)NCCCCCC(=O)[O-] ZINC000414610654 953398178 /nfs/dbraw/zinc/39/81/78/953398178.db2.gz NKCMTPGWFOKNDR-QGZVFWFLSA-N -1 0 334.460 3.603 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000414632296 953403901 /nfs/dbraw/zinc/40/39/01/953403901.db2.gz RSIBIBBVAZWRBU-QGZVFWFLSA-N -1 0 336.407 3.563 20 0 EHADRM COc1ccc(CNc2cccc(CCC(=O)[O-])c2)c(C)c1OC ZINC000414661906 953407248 /nfs/dbraw/zinc/40/72/48/953407248.db2.gz QRSVUGVZRQQVGO-UHFFFAOYSA-N -1 0 329.396 3.642 20 0 EHADRM CC[C@@H](NC(=O)Nc1cc(C(C)(C)C)cc2cccnc21)C(=O)[O-] ZINC001593603175 953415367 /nfs/dbraw/zinc/41/53/67/953415367.db2.gz UWTJCOORGVKMFE-CYBMUJFWSA-N -1 0 329.400 3.517 20 0 EHADRM CC(C)Cn1cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)c2ccccc21 ZINC000422580842 953424006 /nfs/dbraw/zinc/42/40/06/953424006.db2.gz NBHZCWSEVUHBET-CABCVRRESA-N -1 0 342.439 3.623 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc3cc(C(C)(C)C)ccc3[nH]2)C1 ZINC001589274261 953444415 /nfs/dbraw/zinc/44/44/15/953444415.db2.gz BRVCRPVXPRROIF-OCCSQVGLSA-N -1 0 342.439 3.648 20 0 EHADRM CC(C)(CCNC(=O)N1CCC[C@H]1c1cccc(Cl)c1)C(=O)[O-] ZINC000424393792 953457795 /nfs/dbraw/zinc/45/77/95/953457795.db2.gz BKZXWSVJXNKBDG-AWEZNQCLSA-N -1 0 338.835 3.687 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1)C(=O)[O-] ZINC000424425009 953482602 /nfs/dbraw/zinc/48/26/02/953482602.db2.gz PWMBJTWOGILQNX-DJIMGWMZSA-N -1 0 332.444 3.526 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000507283275 953534762 /nfs/dbraw/zinc/53/47/62/953534762.db2.gz UNEKSZMEJHJMPN-ZIAGYGMSSA-N -1 0 346.770 3.577 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N[C@@H]2CCc3ccc(Cl)cc32)cc1 ZINC001594769161 953550268 /nfs/dbraw/zinc/55/02/68/953550268.db2.gz RZEWAANNLVXUEJ-MRXNPFEDSA-N -1 0 344.798 3.525 20 0 EHADRM CCc1cc(Br)ccc1NC(=O)C1(CC(=O)[O-])CCC1 ZINC001593628796 953576817 /nfs/dbraw/zinc/57/68/17/953576817.db2.gz UZLPVKZYAGTMAO-UHFFFAOYSA-N -1 0 340.217 3.595 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)nc1 ZINC000556672883 953583799 /nfs/dbraw/zinc/58/37/99/953583799.db2.gz MSJBSSPPWADCKJ-QGZVFWFLSA-N -1 0 342.370 3.580 20 0 EHADRM CCc1ccc(-c2nc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])cs2)cc1 ZINC001593633383 953591317 /nfs/dbraw/zinc/59/13/17/953591317.db2.gz BEXMYOLKEDBQPK-AWEZNQCLSA-N -1 0 346.452 3.602 20 0 EHADRM CCc1ccc(C(C)(C)CNC(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC001593635233 953606047 /nfs/dbraw/zinc/60/60/47/953606047.db2.gz IJSDZTLSIKYKJH-MRXNPFEDSA-N -1 0 348.487 3.573 20 0 EHADRM C[C@@H]1CCN(C(=O)C2CCC(c3ccccc3)CC2)C[C@@H]1C(=O)[O-] ZINC000564977864 953609196 /nfs/dbraw/zinc/60/91/96/953609196.db2.gz IRWIZPLWAMACBQ-LTDKPHRXSA-N -1 0 329.440 3.530 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2cccc(CCC(=O)[O-])c2)s1 ZINC000565045069 953612761 /nfs/dbraw/zinc/61/27/61/953612761.db2.gz WPGRNIYIRKERMF-UHFFFAOYSA-N -1 0 345.420 3.675 20 0 EHADRM CCc1ccc2ccccc2c1CNC(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC001593640034 953635983 /nfs/dbraw/zinc/63/59/83/953635983.db2.gz IENFURQJPVKOES-HXUWFJFHSA-N -1 0 325.408 3.519 20 0 EHADRM CCc1ccc2occ(C(=O)N[C@@](C)(C(=O)[O-])c3ccccc3)c2c1 ZINC001593640020 953636015 /nfs/dbraw/zinc/63/60/15/953636015.db2.gz HHOCKCWJYKQEDI-HXUWFJFHSA-N -1 0 337.375 3.725 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])o1 ZINC001589295242 953639808 /nfs/dbraw/zinc/63/98/08/953639808.db2.gz FFAZCXLRPGNLBQ-VHDGCEQUSA-N -1 0 335.444 3.731 20 0 EHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001593642324 953657831 /nfs/dbraw/zinc/65/78/31/953657831.db2.gz FJAQZMCKURUVRU-DLBZAZTESA-N -1 0 329.440 3.646 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCCCCc1ccc(F)cc1 ZINC001589298606 953670770 /nfs/dbraw/zinc/67/07/70/953670770.db2.gz NSXKYSKKOYGVBQ-HOCLYGCPSA-N -1 0 335.419 3.640 20 0 EHADRM C[C@@H](NC(=O)C1(C(=O)[O-])CCC1)c1cc(F)c(Cl)cc1Cl ZINC000574016660 953677328 /nfs/dbraw/zinc/67/73/28/953677328.db2.gz YSEOZVMKVUSEMP-SSDOTTSWSA-N -1 0 334.174 3.565 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000574638590 953680096 /nfs/dbraw/zinc/68/00/96/953680096.db2.gz YVVIADOQRRHVBE-ZWNOBZJWSA-N -1 0 341.860 3.635 20 0 EHADRM CCc1nc(C(C)C)ccc1C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593648951 953697478 /nfs/dbraw/zinc/69/74/78/953697478.db2.gz RCEDEOMMYZGGSL-AEGPPILISA-N -1 0 346.471 3.633 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1ccc2ccnc(Cl)c2c1 ZINC001589302957 953703471 /nfs/dbraw/zinc/70/34/71/953703471.db2.gz CILSBNAEXWJAAT-JQWIXIFHSA-N -1 0 347.802 3.605 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)N[C@H](CC(C)C)C(=O)[O-])cc2)cs1 ZINC000581862345 953721005 /nfs/dbraw/zinc/72/10/05/953721005.db2.gz UOURJRPROPFVIT-CQSZACIVSA-N -1 0 347.440 3.739 20 0 EHADRM CC[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1)c1cccc(Cl)c1 ZINC000626745861 953798910 /nfs/dbraw/zinc/79/89/10/953798910.db2.gz GQNALKBFKSNHDC-DFBGVHRSSA-N -1 0 338.835 3.543 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2F)c1 ZINC001594809045 953798994 /nfs/dbraw/zinc/79/89/94/953798994.db2.gz JCWKKNNCIAIMRA-HZPDHXFCSA-N -1 0 328.343 3.532 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)c1ccc(OCc2ccccc2)cn1 ZINC001594809902 953803282 /nfs/dbraw/zinc/80/32/82/953803282.db2.gz BOPHUEQPXDDNGQ-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM C[C@H]1CCC[C@@H](C(=O)Nc2scc(-c3cnn(C)c3)c2C(=O)[O-])C1 ZINC001589314588 953820798 /nfs/dbraw/zinc/82/07/98/953820798.db2.gz HJFXIGFLIFFUQH-WDEREUQCSA-N -1 0 347.440 3.612 20 0 EHADRM C[C@H]1CN(c2nc3cc(Cl)cc(Cl)c3o2)CC[C@H]1C(=O)[O-] ZINC000629768981 953833304 /nfs/dbraw/zinc/83/33/04/953833304.db2.gz SFCONFTYTGOGGG-IONNQARKSA-N -1 0 329.183 3.682 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@H]1CC[C@H]1c1ccc(F)cc1)CC(=O)[O-] ZINC000630200699 953846297 /nfs/dbraw/zinc/84/62/97/953846297.db2.gz MJCPNIQOTIROGA-JQFCIGGWSA-N -1 0 335.419 3.573 20 0 EHADRM C[C@@H]1CCCC[C@H]1CC(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001589320182 953855663 /nfs/dbraw/zinc/85/56/63/953855663.db2.gz WRQJEYMUVVOLTQ-MNOVXSKESA-N -1 0 337.441 3.674 20 0 EHADRM CCCn1ccc2ccc(NC(=O)N3CC[C@H](C(=O)[O-])[C@@H](C)C3)cc21 ZINC000630563299 953860931 /nfs/dbraw/zinc/86/09/31/953860931.db2.gz WOVKQMVVONVJHQ-BBRMVZONSA-N -1 0 343.427 3.626 20 0 EHADRM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001589320757 953868617 /nfs/dbraw/zinc/86/86/17/953868617.db2.gz AWUNWRHNEITIDO-SKDRFNHKSA-N -1 0 343.782 3.711 20 0 EHADRM C[C@@H]1CCCN(C(=O)CCCCCc2ccc(F)cc2)[C@H]1C(=O)[O-] ZINC001589325234 953897516 /nfs/dbraw/zinc/89/75/16/953897516.db2.gz BHHOHCCEKXCKRE-RDTXWAMCSA-N -1 0 335.419 3.640 20 0 EHADRM CN(C(=O)C1(C(=O)[O-])CCCCC1)c1cccc(OC(F)(F)F)c1 ZINC001593674788 953909103 /nfs/dbraw/zinc/90/91/03/953909103.db2.gz AFQPWYXXBAVSKF-UHFFFAOYSA-N -1 0 345.317 3.583 20 0 EHADRM C[C@H]1CCCN(C(=O)CCc2ccc(C(C)(C)C)cc2)[C@@H]1C(=O)[O-] ZINC001589326065 953911553 /nfs/dbraw/zinc/91/15/53/953911553.db2.gz PKBHMFKRCGIEMU-KSSFIOAISA-N -1 0 331.456 3.628 20 0 EHADRM CN(C(=O)CCCC(=O)[O-])[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC001593676334 953931510 /nfs/dbraw/zinc/93/15/10/953931510.db2.gz PWOMMNMCVHSYHS-IBGZPJMESA-N -1 0 329.371 3.628 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCc2ccc(F)cc2F)c2ccccc21 ZINC000649421305 953995513 /nfs/dbraw/zinc/99/55/13/953995513.db2.gz CLIHYYRMJKCCFY-OAHLLOKOSA-N -1 0 345.345 3.503 20 0 EHADRM Cc1cc(NS(=O)(=O)c2ccccc2C(C)(C)C)ccc1C(=O)[O-] ZINC000460823222 1032061787 /nfs/dbraw/zinc/06/17/87/1032061787.db2.gz KRQAFPFPDQMGHP-UHFFFAOYSA-N -1 0 347.436 3.792 20 0 EHADRM CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001602975459 971986885 /nfs/dbraw/zinc/98/68/85/971986885.db2.gz XNYCBYUMFPRJDK-HDMKZQKVSA-N -1 0 337.847 3.524 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC000653289200 954098840 /nfs/dbraw/zinc/09/88/40/954098840.db2.gz LUNWKKBDFKSWML-BFUOFWGJSA-N -1 0 327.380 3.730 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[C@H]2C2CC2)c2ccccc21 ZINC000653327338 954153980 /nfs/dbraw/zinc/15/39/80/954153980.db2.gz WEXZCWHFXZGOQW-LIRZEXBASA-N -1 0 327.424 3.632 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(F)c(Cl)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653533866 954181258 /nfs/dbraw/zinc/18/12/58/954181258.db2.gz KDQCOCWZHOZQDP-INTQDDNPSA-N -1 0 342.798 3.736 20 0 EHADRM CCCCOc1ccc(NC(=O)NC[C@H](C(=O)[O-])C(C)C)c(C)c1 ZINC000653537276 954185666 /nfs/dbraw/zinc/18/56/66/954185666.db2.gz SGBHLLKXERCNMW-HNNXBMFYSA-N -1 0 336.432 3.652 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc(F)c1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653546122 954194284 /nfs/dbraw/zinc/19/42/84/954194284.db2.gz YSZQGFJEWPRAIK-KXUCPTDWSA-N -1 0 342.798 3.736 20 0 EHADRM O=C([O-])CCCCC(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000655554197 954200372 /nfs/dbraw/zinc/20/03/72/954200372.db2.gz AEBHRTZMFQXZHP-SFHVURJKSA-N -1 0 346.814 3.586 20 0 EHADRM O=C([O-])C1(C(=O)NCC2(c3ccc(Cl)cc3)CCCC2)CC=CC1 ZINC001594856383 954240345 /nfs/dbraw/zinc/24/03/45/954240345.db2.gz MEZNXLNNSIQUNO-UHFFFAOYSA-N -1 0 347.842 3.689 20 0 EHADRM CC(C)[C@@H](CNC(=O)N[C@H](C)c1ccc(F)c2ccccc21)C(=O)[O-] ZINC000655880502 954265413 /nfs/dbraw/zinc/26/54/13/954265413.db2.gz ZYERADFXESQYCQ-MLGOLLRUSA-N -1 0 346.402 3.696 20 0 EHADRM C[C@H](NC(=O)N(C)C1CCC(C)(C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655904578 954286130 /nfs/dbraw/zinc/28/61/30/954286130.db2.gz LGPPYYQTPGHGQH-AEGPPILISA-N -1 0 338.492 3.732 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C(C)C ZINC000659399089 954325109 /nfs/dbraw/zinc/32/51/09/954325109.db2.gz ZEEQYPXBYBVDDD-DOTOQJQBSA-N -1 0 349.475 3.523 20 0 EHADRM CC(C)C(CNC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)C(C)C ZINC001602983365 972005678 /nfs/dbraw/zinc/00/56/78/972005678.db2.gz NRQJDYOEFQLOGM-WBVHZDCISA-N -1 0 332.444 3.527 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2ccc(-c3nccs3)cc2)CC=CCC1 ZINC001594869874 954342284 /nfs/dbraw/zinc/34/22/84/954342284.db2.gz MOFBSEQZTCSMCH-QGZVFWFLSA-N -1 0 328.393 3.560 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)CC=CC1 ZINC001594870545 954350317 /nfs/dbraw/zinc/35/03/17/954350317.db2.gz NCKKZTDBQCLGHO-UHFFFAOYSA-N -1 0 349.692 3.598 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)CC12CCCCC2 ZINC000659761425 954362369 /nfs/dbraw/zinc/36/23/69/954362369.db2.gz ZWYWFHYWPLGPHZ-OAHLLOKOSA-N -1 0 345.439 3.583 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000659781759 954373286 /nfs/dbraw/zinc/37/32/86/954373286.db2.gz QDNKYQBNRJKQCP-CYBMUJFWSA-N -1 0 345.361 3.682 20 0 EHADRM CC(C)C(=O)c1ccc([C@@H](C)C(=O)N(CC(=O)[O-])CC(C)(C)C)cc1 ZINC000659782383 954373346 /nfs/dbraw/zinc/37/33/46/954373346.db2.gz SQAVNCWIXOYTJK-CQSZACIVSA-N -1 0 347.455 3.588 20 0 EHADRM CN(CCc1cccc2ccccc21)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001593755290 954445785 /nfs/dbraw/zinc/44/57/85/954445785.db2.gz DCUVBRODMORBSQ-UHFFFAOYSA-N -1 0 349.390 3.639 20 0 EHADRM CC(C)[C@@H](CNc1nc2cccc(OC(F)F)c2s1)C(=O)[O-] ZINC001602990929 972014838 /nfs/dbraw/zinc/01/48/38/972014838.db2.gz ANEOCRISRFVDJG-MRVPVSSYSA-N -1 0 330.356 3.666 20 0 EHADRM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C1(C(=O)[O-])CCC1 ZINC000663107697 954496551 /nfs/dbraw/zinc/49/65/51/954496551.db2.gz LNORWESSFFFQNK-AWEZNQCLSA-N -1 0 330.428 3.567 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000663121291 954515878 /nfs/dbraw/zinc/51/58/78/954515878.db2.gz XODOPJPEHWASEV-MANSERQUSA-N -1 0 335.403 3.528 20 0 EHADRM CCOc1ccc(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)c(C)c1 ZINC000663343346 954536996 /nfs/dbraw/zinc/53/69/96/954536996.db2.gz NKQIQQADZYFYCJ-AWEZNQCLSA-N -1 0 336.432 3.652 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)NCc2ccsc2)CC1 ZINC000666516483 954547655 /nfs/dbraw/zinc/54/76/55/954547655.db2.gz WKYJSPTVLRYACF-UHFFFAOYSA-N -1 0 344.436 3.536 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)C(=O)Cc1coc2cc(C)c(C(C)C)cc12 ZINC001589433661 954672067 /nfs/dbraw/zinc/67/20/67/954672067.db2.gz HRQPWNNNJNTSPW-MRXNPFEDSA-N -1 0 331.412 3.729 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)C2)c2ccccc21 ZINC001594914553 954731565 /nfs/dbraw/zinc/73/15/65/954731565.db2.gz KLVSDNOFENQBIF-NQBHXWOUSA-N -1 0 341.329 3.570 20 0 EHADRM CC[C@H](C)[C@@H]1CCCCN1C(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001589456906 954835057 /nfs/dbraw/zinc/83/50/57/954835057.db2.gz CJUMIXGLVJCNPT-JYJNAYRXSA-N -1 0 326.481 3.734 20 0 EHADRM CC[C@H](C)[C@H]1CCCCN1C(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001589456904 954835283 /nfs/dbraw/zinc/83/52/83/954835283.db2.gz CJUMIXGLVJCNPT-HRCADAONSA-N -1 0 326.481 3.734 20 0 EHADRM O=C([O-])[C@@H]1CCN(Cc2cccc3c2OC(F)(F)O3)c2ccccc21 ZINC001594933963 954843634 /nfs/dbraw/zinc/84/36/34/954843634.db2.gz MRUHMIGDVHAGST-CYBMUJFWSA-N -1 0 347.317 3.587 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N(C)[C@@H](CCc1ccccc1)C(F)F ZINC001589467009 954911401 /nfs/dbraw/zinc/91/14/01/954911401.db2.gz NDYVCRBSHJWIIU-AWEZNQCLSA-N -1 0 341.398 3.602 20 0 EHADRM CCC(CC)(NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001589510712 955049449 /nfs/dbraw/zinc/04/94/49/955049449.db2.gz VLMPXBDUZZUYSE-VDISTLRHSA-N -1 0 338.835 3.518 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)[C@H](F)CC1CCCCC1 ZINC001594966125 955058130 /nfs/dbraw/zinc/05/81/30/955058130.db2.gz UWUYXUSBGXBQAV-IAGOWNOFSA-N -1 0 333.403 3.506 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N[C@@H](c1ccccc1)C1CCC1)C(=O)[O-] ZINC001603012508 972067303 /nfs/dbraw/zinc/06/73/03/972067303.db2.gz SKDUTLFJVHZTGG-IRXDYDNUSA-N -1 0 332.444 3.574 20 0 EHADRM Cc1csc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)c1Cl ZINC000386726433 972076215 /nfs/dbraw/zinc/07/62/15/972076215.db2.gz UANCCTWFRAILOJ-UHFFFAOYSA-N -1 0 331.727 3.939 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCCC[C@H]1CC(C)C)CC(=O)[O-] ZINC001603018452 972077665 /nfs/dbraw/zinc/07/76/65/972077665.db2.gz RIKAOQVDHYGZIX-HOTGVXAUSA-N -1 0 326.481 3.734 20 0 EHADRM CC[C@H](CNC(=O)Nc1cccc(SC(F)(F)F)c1)C(=O)[O-] ZINC001589545948 955199308 /nfs/dbraw/zinc/19/93/08/955199308.db2.gz NAZXQWCDZVDYBG-MRVPVSSYSA-N -1 0 336.335 3.531 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl ZINC000766945247 955315764 /nfs/dbraw/zinc/31/57/64/955315764.db2.gz PUFVRKVVNNVLQH-ZZXKWVIFSA-N -1 0 349.736 3.694 20 0 EHADRM CC(C)CN(Cc1ccccc1F)C(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001603026062 972086539 /nfs/dbraw/zinc/08/65/39/972086539.db2.gz UJVAYZDMTQSJHJ-LJQANCHMSA-N -1 0 333.403 3.621 20 0 EHADRM C/C(=C\C(=O)N1CCCC[C@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000776601566 955329488 /nfs/dbraw/zinc/32/94/88/955329488.db2.gz MROJJBXRIDHBKI-VNDWYCCKSA-N -1 0 341.329 3.574 20 0 EHADRM CC(C)CON(CC1CCCCC1)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC001603030855 972091863 /nfs/dbraw/zinc/09/18/63/972091863.db2.gz TVZSPDSWIVUTSB-INIZCTEOSA-N -1 0 342.480 3.523 20 0 EHADRM CC(C)(CCNC(=O)Nc1cccc(SC(F)F)c1)C(=O)[O-] ZINC000818624581 955412000 /nfs/dbraw/zinc/41/20/00/955412000.db2.gz UCRXRLCZPILIMY-UHFFFAOYSA-N -1 0 332.372 3.624 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)/C=C/c1ccc(Cl)s1 ZINC000387016593 972097402 /nfs/dbraw/zinc/09/74/02/972097402.db2.gz HSMGWSRBRJRKKE-GTFJTLSCSA-N -1 0 339.844 3.659 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)CCc1ccc(Cl)cc1Cl ZINC000387013192 972097529 /nfs/dbraw/zinc/09/75/29/972097529.db2.gz BKGMSLSPRGQNDY-ZDUSSCGKSA-N -1 0 344.238 3.782 20 0 EHADRM Cn1cc(-c2ccc(CN3CC[C@H](C(=O)[O-])c4ccccc43)cc2)cn1 ZINC001594523838 955483259 /nfs/dbraw/zinc/48/32/59/955483259.db2.gz XUAHHYIJIBWFKK-IBGZPJMESA-N -1 0 347.418 3.666 20 0 EHADRM C[C@@H]1CN(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)CC[C@H]1C(=O)[O-] ZINC000823340614 955527757 /nfs/dbraw/zinc/52/77/57/955527757.db2.gz JXCDJQXVKMXDCY-SFSKKFTQSA-N -1 0 329.440 3.567 20 0 EHADRM C[C@@](CNC(=O)c1cccc(C2CCC2)c1)(C(=O)[O-])c1ccccc1 ZINC001589063409 955733701 /nfs/dbraw/zinc/73/37/01/955733701.db2.gz WEZYQLHYAHIYSX-NRFANRHFSA-N -1 0 337.419 3.726 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1sccc1-c1ccc(F)cc1)C(=O)[O-] ZINC000848451355 955738105 /nfs/dbraw/zinc/73/81/05/955738105.db2.gz HBHYIXDVWPHZCR-CQSZACIVSA-N -1 0 335.400 3.641 20 0 EHADRM Cc1nc(NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)sc1-c1ccccc1 ZINC000852951557 955874557 /nfs/dbraw/zinc/87/45/57/955874557.db2.gz RDOJRCAKKNPTJL-QGZVFWFLSA-N -1 0 330.409 3.558 20 0 EHADRM O=C([O-])c1ccc2c(c1)N(C(=O)/C=C/c1ccc(Cl)s1)CC2 ZINC000387840309 972143782 /nfs/dbraw/zinc/14/37/82/972143782.db2.gz DDEFGEHDAVEXNG-GQCTYLIASA-N -1 0 333.796 3.702 20 0 EHADRM CO[C@@H](C(=O)[O-])C(=O)O[C@@H](C)c1ccc(Sc2ccccc2)cc1 ZINC001593919565 956062088 /nfs/dbraw/zinc/06/20/88/956062088.db2.gz PECWYQJIAHKYBK-LRDDRELGSA-N -1 0 346.404 3.542 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)NCc2ccccc2C(=O)[O-])cc1 ZINC000874409406 956181415 /nfs/dbraw/zinc/18/14/15/956181415.db2.gz JOCMALZYAIQNKH-AWEZNQCLSA-N -1 0 326.396 3.596 20 0 EHADRM Cc1ccc(-c2cccnc2)cc1NC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000900346495 956296789 /nfs/dbraw/zinc/29/67/89/956296789.db2.gz JHZLISBJJDBKEW-KRWDZBQOSA-N -1 0 341.411 3.678 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N2CCCCC[C@@H]2c2ccncc2)o1 ZINC000901566366 956340995 /nfs/dbraw/zinc/34/09/95/956340995.db2.gz CRLGZXJPOIJATF-IQIBNGDESA-N -1 0 340.379 3.530 20 0 EHADRM Cc1nc2ccccc2c(C)c1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000901571971 956344164 /nfs/dbraw/zinc/34/41/64/956344164.db2.gz BQDRWJXRRPNTDI-OAHLLOKOSA-N -1 0 340.423 3.569 20 0 EHADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)Nc2cccc(-c3cccs3)c2)CO1 ZINC000901592882 956359792 /nfs/dbraw/zinc/35/97/92/956359792.db2.gz SEOQSUCZQNPCFE-DZGCQCFKSA-N -1 0 345.420 3.624 20 0 EHADRM CC(C)c1ccc2occ(C(=O)N3CC[C@H](C(=O)[O-])[C@@H](C)C3)c2c1 ZINC001603107010 972182149 /nfs/dbraw/zinc/18/21/49/972182149.db2.gz OOUJJYOKICEVAY-JSGCOSHPSA-N -1 0 329.396 3.739 20 0 EHADRM CC(C)c1csc(CNC(=O)Nc2cccc(CCC(=O)[O-])c2)n1 ZINC001603107256 972184786 /nfs/dbraw/zinc/18/47/86/972184786.db2.gz UGEDCTODELXMPD-UHFFFAOYSA-N -1 0 347.440 3.605 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)Nc1cccnc1C(=O)[O-] ZINC001589172573 956472579 /nfs/dbraw/zinc/47/25/79/956472579.db2.gz KQEVPVBJUFCOGT-SECBINFHSA-N -1 0 336.800 3.553 20 0 EHADRM C[C@H](c1ccc(COC(=O)C2(C(=O)[O-])CCC2)cc1)C(F)(F)F ZINC001589174500 956479186 /nfs/dbraw/zinc/47/91/86/956479186.db2.gz JQOKUWWIRTXGMI-SNVBAGLBSA-N -1 0 330.302 3.651 20 0 EHADRM CCC(CC)[C@H](NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000901865965 956510551 /nfs/dbraw/zinc/51/05/51/956510551.db2.gz QXPXWLBWDARNOX-AOIWGVFYSA-N -1 0 347.455 3.550 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1nc(-c2cccc(Cl)c2)cs1 ZINC000901905250 956534618 /nfs/dbraw/zinc/53/46/18/956534618.db2.gz WHLJFTXJAPSOGI-GHMZBOCLSA-N -1 0 336.800 3.513 20 0 EHADRM O=C(C=C1CCSCC1)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001594667647 956592512 /nfs/dbraw/zinc/59/25/12/956592512.db2.gz LAFVOQBNJVKUHC-UHFFFAOYSA-N -1 0 337.466 3.717 20 0 EHADRM COc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1C(=O)[O-] ZINC000388930358 972199068 /nfs/dbraw/zinc/19/90/68/972199068.db2.gz QKOCMCODVCVQOF-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM CSCCCCCCC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000902029129 956618919 /nfs/dbraw/zinc/61/89/19/956618919.db2.gz DCPHKCFCUNTTLC-MELADBBJSA-N -1 0 329.506 3.552 20 0 EHADRM O=C(/C=C/c1ccc2[nH]ccc2c1)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001594675208 956652888 /nfs/dbraw/zinc/65/28/88/956652888.db2.gz QLZQAKJNUULDDZ-IPKGOGJASA-N -1 0 346.386 3.611 20 0 EHADRM O=C([O-])c1cncc(NC(=O)CCCc2ccc3c(c2)CCCC3)c1 ZINC001594685425 956710159 /nfs/dbraw/zinc/71/01/59/956710159.db2.gz LXMLUYIOOUNHFF-UHFFFAOYSA-N -1 0 338.407 3.620 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1nc2c(ccc3c2CCCC3)s1 ZINC001589218962 956750435 /nfs/dbraw/zinc/75/04/35/956750435.db2.gz WAFLSYAPLXWRIU-SFHVURJKSA-N -1 0 344.436 3.615 20 0 EHADRM CSCC1(CC(=O)N2C[C@H](CCC(=O)[O-])Cc3ccccc32)CC1 ZINC000902821446 956810987 /nfs/dbraw/zinc/81/09/87/956810987.db2.gz YRONFFBGGUUODS-CQSZACIVSA-N -1 0 347.480 3.590 20 0 EHADRM Cc1ccc(S(=O)(=O)Oc2ccc(C(C)C)c(C)c2)cc1C(=O)[O-] ZINC000013075407 956928297 /nfs/dbraw/zinc/92/82/97/956928297.db2.gz QSCGXLMMWSSSCP-UHFFFAOYSA-N -1 0 348.420 3.893 20 0 EHADRM Cc1cc(C)c(OCC(=O)Nc2cc(C(=O)[O-])ccc2C)c(C)c1 ZINC000013169863 956953191 /nfs/dbraw/zinc/95/31/91/956953191.db2.gz FAGWEIDTYBDCEF-UHFFFAOYSA-N -1 0 327.380 3.636 20 0 EHADRM Cc1ccc(C)c(OCCC(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000013169794 956953306 /nfs/dbraw/zinc/95/33/06/956953306.db2.gz APWQDMLEWPVBGD-UHFFFAOYSA-N -1 0 327.380 3.718 20 0 EHADRM Cc1nc(C)c(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])s1 ZINC000013171752 956955015 /nfs/dbraw/zinc/95/50/15/956955015.db2.gz QWUMVMAICYQDBP-UHFFFAOYSA-N -1 0 326.377 3.864 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(F)cc2Cl)cc1 ZINC000013179379 956962120 /nfs/dbraw/zinc/96/21/20/956962120.db2.gz VOSCMKDFYXIJOY-HNNXBMFYSA-N -1 0 335.762 3.733 20 0 EHADRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1)c1ccccc1 ZINC000013179069 956962498 /nfs/dbraw/zinc/96/24/98/956962498.db2.gz QVMXNGPNELNEGA-ROUUACIJSA-N -1 0 325.408 3.821 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000905270908 956970072 /nfs/dbraw/zinc/97/00/72/956970072.db2.gz KAIDMXDPRYEYPK-MRVWCRGKSA-N -1 0 343.345 3.577 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OCC(=O)Nc1ccc2ccccc2c1 ZINC000013248507 956990307 /nfs/dbraw/zinc/99/03/07/956990307.db2.gz OLKOOJRZWLLJKI-UHFFFAOYSA-N -1 0 335.359 3.864 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2csc(-c3ccc(F)cc3)n2)c1 ZINC000013259564 956996867 /nfs/dbraw/zinc/99/68/67/956996867.db2.gz OSIGLDKXTBKRRD-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2ccc(-n3cccc3)cc2)c2ccccc21 ZINC001594726224 957005243 /nfs/dbraw/zinc/00/52/43/957005243.db2.gz KIXLJBLTOZBZBZ-RTBURBONSA-N -1 0 346.386 3.520 20 0 EHADRM COc1cccc(CC2(C(=O)NCCCCC(=O)[O-])CCCCC2)c1 ZINC000909188083 957007718 /nfs/dbraw/zinc/00/77/18/957007718.db2.gz TWYVTFDACQOKEC-UHFFFAOYSA-N -1 0 347.455 3.559 20 0 EHADRM O=C([O-])c1cc(NC(=O)NCC2CCCCCC2)c(F)cc1F ZINC000389605409 972234287 /nfs/dbraw/zinc/23/42/87/972234287.db2.gz NEJOLLBAFSKCNT-UHFFFAOYSA-N -1 0 326.343 3.755 20 0 EHADRM CCCCNc1ccccc1C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000909436666 957017183 /nfs/dbraw/zinc/01/71/83/957017183.db2.gz UHKFGBCNMYMDTI-UHFFFAOYSA-N -1 0 332.444 3.616 20 0 EHADRM CCSCc1ccccc1C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000909435755 957018257 /nfs/dbraw/zinc/01/82/57/957018257.db2.gz ARRVLULJJGAYDO-UHFFFAOYSA-N -1 0 335.469 3.657 20 0 EHADRM C[C@H]1CCc2sc(C(=O)N[C@H](CC(=O)[O-])c3cccs3)cc2C1 ZINC000013388405 957039361 /nfs/dbraw/zinc/03/93/61/957039361.db2.gz ZAUAFMSZOSNMFC-CMPLNLGQSA-N -1 0 349.477 3.880 20 0 EHADRM CC(C)(CCNc1ccnc(CSc2ccccc2)n1)C(=O)[O-] ZINC000910435228 957045303 /nfs/dbraw/zinc/04/53/03/957045303.db2.gz QXKRDBREISALHZ-UHFFFAOYSA-N -1 0 331.441 3.682 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)c1 ZINC000911529814 957076979 /nfs/dbraw/zinc/07/69/79/957076979.db2.gz FTYUWXYSELJRPQ-QGZVFWFLSA-N -1 0 349.390 3.629 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000013440008 957078158 /nfs/dbraw/zinc/07/81/58/957078158.db2.gz LMYILEKCYXRXEQ-UHFFFAOYSA-N -1 0 339.322 3.965 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000911575117 957081585 /nfs/dbraw/zinc/08/15/85/957081585.db2.gz UMORHLSBDOJCON-QZTJIDSGSA-N -1 0 347.455 3.526 20 0 EHADRM CCCOc1ccccc1NC(=O)N1CCC[C@@](CC)(C(=O)[O-])C1 ZINC000925912341 957132834 /nfs/dbraw/zinc/13/28/34/957132834.db2.gz SNWYPYWLZPDWCQ-GOSISDBHSA-N -1 0 334.416 3.584 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)s2)C[C@@H]1C(=O)[O-] ZINC001118261149 957164528 /nfs/dbraw/zinc/16/45/28/957164528.db2.gz VBTLPBQZWMOJFK-JSGCOSHPSA-N -1 0 329.421 3.598 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(OCC(F)(F)F)cc2)CCCCC1 ZINC001180436290 957246897 /nfs/dbraw/zinc/24/68/97/957246897.db2.gz DLHUOCOIJWBUQA-UHFFFAOYSA-N -1 0 345.317 3.601 20 0 EHADRM Cc1oc(CNC(=O)c2c(Cl)cccc2Cl)cc1C(=O)[O-] ZINC000038059668 957354402 /nfs/dbraw/zinc/35/44/02/957354402.db2.gz DEAAVUPLRQVADE-UHFFFAOYSA-N -1 0 328.151 3.523 20 0 EHADRM CN(Cc1cccc(C(=O)[O-])c1)Cc1ccccc1Br ZINC000048892600 957469105 /nfs/dbraw/zinc/46/91/05/957469105.db2.gz RVTPBALUBGZMQU-UHFFFAOYSA-N -1 0 334.213 3.779 20 0 EHADRM O=C([O-])Cc1sc(NC(=O)c2ccsc2)nc1-c1ccccc1 ZINC000054231917 957524643 /nfs/dbraw/zinc/52/46/43/957524643.db2.gz MEXPKPCDLOJQJZ-UHFFFAOYSA-N -1 0 344.417 3.751 20 0 EHADRM O=C([O-])Cc1sc(NC(=O)[C@H]2CC=CCC2)nc1-c1ccccc1 ZINC000054232455 957524797 /nfs/dbraw/zinc/52/47/97/957524797.db2.gz OQYAWPAGOVKWLZ-ZDUSSCGKSA-N -1 0 342.420 3.732 20 0 EHADRM Cc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)c(C(=O)[O-])c1 ZINC000390339554 972276569 /nfs/dbraw/zinc/27/65/69/972276569.db2.gz VDIWNZDYNKSCHA-UHFFFAOYSA-N -1 0 333.409 3.617 20 0 EHADRM O=C([O-])c1cc(NC(=O)NCCC2CCCCC2)c(F)cc1F ZINC000390365996 972279078 /nfs/dbraw/zinc/27/90/78/972279078.db2.gz NZLKSFCTBUJRLE-UHFFFAOYSA-N -1 0 326.343 3.755 20 0 EHADRM O=C([O-])c1cccnc1SCc1coc(-c2cccc(F)c2)n1 ZINC000390388070 972280471 /nfs/dbraw/zinc/28/04/71/972280471.db2.gz YLBCVOUSUBAFSV-UHFFFAOYSA-N -1 0 330.340 3.866 20 0 EHADRM Cc1ccc(C(C)C)c(OCC(=O)Oc2cccc(C(=O)[O-])c2)c1 ZINC000066144212 957641817 /nfs/dbraw/zinc/64/18/17/957641817.db2.gz MXNPNLLCLQOBQM-UHFFFAOYSA-N -1 0 328.364 3.801 20 0 EHADRM O=C([O-])COc1cccc(C(=O)Oc2ccc(Cl)cc2Cl)c1 ZINC001574738745 957681071 /nfs/dbraw/zinc/68/10/71/957681071.db2.gz KHSYMDKSIJXKBR-UHFFFAOYSA-N -1 0 341.146 3.676 20 0 EHADRM Cc1cc(C(=O)Nc2sc3c(c2C(=O)[O-])COCC3)cc(C)c1F ZINC001594281509 957750560 /nfs/dbraw/zinc/75/05/60/957750560.db2.gz QYOUURQHZOGQFI-UHFFFAOYSA-N -1 0 349.383 3.527 20 0 EHADRM Cc1oc(CSc2ccc(Br)cn2)cc1C(=O)[O-] ZINC000079421621 957755450 /nfs/dbraw/zinc/75/54/50/957755450.db2.gz KXOZFOMLJFJWSV-UHFFFAOYSA-N -1 0 328.187 3.736 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2ccc(Br)cc2)c1 ZINC001594288206 957794495 /nfs/dbraw/zinc/79/44/95/957794495.db2.gz DMESMULDQQRPJX-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM O=C([O-])c1c(NC(=O)c2coc3ccccc32)sc2c1CCOC2 ZINC001574788316 957795478 /nfs/dbraw/zinc/79/54/78/957795478.db2.gz PLAKBFJVCKRSAH-UHFFFAOYSA-N -1 0 343.360 3.518 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)ccn1 ZINC001574790405 957804994 /nfs/dbraw/zinc/80/49/94/957804994.db2.gz RYPIFURHTHAVTI-IAGOWNOFSA-N -1 0 332.359 3.675 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2C[C@@H](c3ccccc3)c3ccccc32)nc1 ZINC001574790981 957809059 /nfs/dbraw/zinc/80/90/59/957809059.db2.gz ATEYHCWWYGHMPK-KRWDZBQOSA-N -1 0 344.370 3.572 20 0 EHADRM Cc1cc(C(F)(F)F)c(Nc2cccc(CCC(=O)[O-])c2)nn1 ZINC001594289833 957820685 /nfs/dbraw/zinc/82/06/85/957820685.db2.gz GGVQZDQTKHTLOU-UHFFFAOYSA-N -1 0 325.290 3.565 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2C[C@H](c3ccccc3Cl)C2)cc1 ZINC001574796397 957822529 /nfs/dbraw/zinc/82/25/29/957822529.db2.gz NIKMVAGEIOYGNA-HDJSIYSDSA-N -1 0 329.783 3.714 20 0 EHADRM Cc1cc(C)cc(C[C@H](C)NC(=O)c2cc(C)cc(C(=O)[O-])c2)c1 ZINC001594294669 957865516 /nfs/dbraw/zinc/86/55/16/957865516.db2.gz BPYWQSFLIHDUJV-HNNXBMFYSA-N -1 0 325.408 3.671 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2cc3cc(Cl)sc3[nH]2)c1 ZINC001574809296 957868800 /nfs/dbraw/zinc/86/88/00/957868800.db2.gz IOKJAMAEBUTUDA-UHFFFAOYSA-N -1 0 334.784 3.511 20 0 EHADRM CON(Cc1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001594044115 957905131 /nfs/dbraw/zinc/90/51/31/957905131.db2.gz RDQHNFNLDBTBHM-UHFFFAOYSA-N -1 0 334.759 3.634 20 0 EHADRM CCOc1ccc2nc(NC(=O)CC(C)(C)CC(=O)[O-])sc2c1 ZINC000390920406 972308297 /nfs/dbraw/zinc/30/82/97/972308297.db2.gz WOOVNCAVJXFUCQ-UHFFFAOYSA-N -1 0 336.413 3.525 20 0 EHADRM C[C@H](c1ccccc1)[C@H](C)NC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001343038820 958020166 /nfs/dbraw/zinc/02/01/66/958020166.db2.gz USGCIVIAJLLHLG-ZOBUZTSGSA-N -1 0 332.444 3.608 20 0 EHADRM Cc1cc(NC(=O)c2cc(C(F)(F)F)ccc2N)ccc1C(=O)[O-] ZINC001594324894 958153848 /nfs/dbraw/zinc/15/38/48/958153848.db2.gz YNJSMPUEOFFAFN-UHFFFAOYSA-N -1 0 338.285 3.547 20 0 EHADRM C[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000391215120 972323881 /nfs/dbraw/zinc/32/38/81/972323881.db2.gz RYKRJGKXLJWRFM-ZANVPECISA-N -1 0 326.343 3.705 20 0 EHADRM CSCCCCCNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000391217606 972324014 /nfs/dbraw/zinc/32/40/14/972324014.db2.gz TYQXRHVLEDKVRF-UHFFFAOYSA-N -1 0 338.473 3.704 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(-c3ccccc3)s2)CC[C@H]1C(=O)[O-] ZINC001353922267 958162978 /nfs/dbraw/zinc/16/29/78/958162978.db2.gz MUFDBGNVOCYMIC-GXTWGEPZSA-N -1 0 329.421 3.598 20 0 EHADRM CC(F)(F)c1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC001603211002 972325248 /nfs/dbraw/zinc/32/52/48/972325248.db2.gz RCEGNLUVPRCBLO-LBPRGKRZSA-N -1 0 325.355 3.515 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@H]2CCSc3ccccc32)C1 ZINC001356547322 958176021 /nfs/dbraw/zinc/17/60/21/958176021.db2.gz FRXXJPRGRLBWMS-KBXCAEBGSA-N -1 0 348.468 3.510 20 0 EHADRM Cc1cc(O[C@@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C(=O)[O-])ccc1C(C)C ZINC001594326841 958179805 /nfs/dbraw/zinc/17/98/05/958179805.db2.gz KCZGKIXTRAWFKZ-RVKKMQEKSA-N -1 0 347.455 3.740 20 0 EHADRM COc1ccc(-c2csc3ncnc(N[C@@H](C)CC(=O)[O-])c23)cc1 ZINC001594071304 958187307 /nfs/dbraw/zinc/18/73/07/958187307.db2.gz RJJWZVIGAQLAJY-JTQLQIEISA-N -1 0 343.408 3.642 20 0 EHADRM CC[C@H](CNC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1)C(=O)[O-] ZINC001357173792 958189382 /nfs/dbraw/zinc/18/93/82/958189382.db2.gz HOVBYMHAWVEAPQ-CXAGYDPISA-N -1 0 343.427 3.515 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)N2CCCC[C@H]2CCC(=O)[O-])ccc1F ZINC001594330677 958214796 /nfs/dbraw/zinc/21/47/96/958214796.db2.gz PIBZJSKTRCNIPM-HIFRSBDPSA-N -1 0 336.407 3.624 20 0 EHADRM Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000391366909 972331587 /nfs/dbraw/zinc/33/15/87/972331587.db2.gz QYKAUYXGXFIYFR-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM Cc1ccc(Br)cc1CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001594342725 958306563 /nfs/dbraw/zinc/30/65/63/958306563.db2.gz RAEOFTYXRBSSCM-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)Nc2ccnc(C(=O)[O-])c2)c(C)c1 ZINC001594349934 958340813 /nfs/dbraw/zinc/34/08/13/958340813.db2.gz RNLXOWWGIQYHJR-ZDUSSCGKSA-N -1 0 327.384 3.622 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(C(=O)[O-])cn2)c1 ZINC001594350158 958343731 /nfs/dbraw/zinc/34/37/31/958343731.db2.gz UHEFPJAHWQEQIA-CYBMUJFWSA-N -1 0 342.395 3.618 20 0 EHADRM Cc1ccc(C2(CNC(=O)[C@H](C(=O)[O-])C3CCCC3)CCC2)cc1C ZINC001594353903 958392051 /nfs/dbraw/zinc/39/20/51/958392051.db2.gz ZTOHXYDIIBFBPO-GOSISDBHSA-N -1 0 343.467 3.732 20 0 EHADRM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001594354027 958394109 /nfs/dbraw/zinc/39/41/09/958394109.db2.gz KLFAEYMXFMYCTB-XMTFNYHQSA-N -1 0 344.455 3.526 20 0 EHADRM Cc1ccc([C@@H]2CCC[C@H]2OC(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC001594354979 958406350 /nfs/dbraw/zinc/40/63/50/958406350.db2.gz YYRJNCAYWKIALR-DOTOQJQBSA-N -1 0 325.364 3.581 20 0 EHADRM CCOc1ccc2cc(C(=O)Nc3cc(C(=O)[O-])ccc3C)[nH]c2c1 ZINC000120262202 958469397 /nfs/dbraw/zinc/46/93/97/958469397.db2.gz GNJVRDNKWANXTC-UHFFFAOYSA-N -1 0 338.363 3.826 20 0 EHADRM Cc1ccc(Cl)c2ccc(NC(=O)c3ccc(C(=O)[O-])nc3)nc12 ZINC001594363166 958471987 /nfs/dbraw/zinc/47/19/87/958471987.db2.gz JUTFJLFTXOMDJY-UHFFFAOYSA-N -1 0 341.754 3.542 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)c(Cl)c1Cl ZINC001594369151 958527631 /nfs/dbraw/zinc/52/76/31/958527631.db2.gz WVHQBUGXYHTYAW-ZJUUUORDSA-N -1 0 346.210 3.510 20 0 EHADRM Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)C1(C(=O)[O-])CCC1 ZINC001594373023 958556992 /nfs/dbraw/zinc/55/69/92/958556992.db2.gz VMIAQUUBRCZOOX-UHFFFAOYSA-N -1 0 348.399 3.535 20 0 EHADRM COc1cccc(-c2nc3ccccc3c(N[C@H]3C[C@H](C(=O)[O-])C3)n2)c1 ZINC001594120134 958594031 /nfs/dbraw/zinc/59/40/31/958594031.db2.gz UZJMBSOUQFQLBM-HDJSIYSDSA-N -1 0 349.390 3.581 20 0 EHADRM C/C(=C/C(=O)Nc1sc2c(c1C(=O)[O-])COCC2)c1cccs1 ZINC001588482089 958598596 /nfs/dbraw/zinc/59/85/96/958598596.db2.gz SDEBZMTXDGYLBG-CLFYSBASSA-N -1 0 349.433 3.623 20 0 EHADRM Cc1ccc2c(CC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])coc2c1 ZINC001594382111 958640623 /nfs/dbraw/zinc/64/06/23/958640623.db2.gz SOVRMUXFFHKOLJ-OAHLLOKOSA-N -1 0 331.412 3.679 20 0 EHADRM CCCC1(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CCC1 ZINC000391744649 972365103 /nfs/dbraw/zinc/36/51/03/972365103.db2.gz MESIWQMYMXZVBM-UHFFFAOYSA-N -1 0 326.343 3.755 20 0 EHADRM Cc1cc(Cl)c(NC(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])cc1Cl ZINC000128402301 958660906 /nfs/dbraw/zinc/66/09/06/958660906.db2.gz YSURUDFRZAKTTF-LDYMZIIASA-N -1 0 331.199 3.677 20 0 EHADRM Cc1cccc(NC(=O)c2ccc(C(=O)[O-])s2)c1Br ZINC000129199884 958694107 /nfs/dbraw/zinc/69/41/07/958694107.db2.gz ZAZWLGZYNPJGQN-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)c1cccs1 ZINC000129560071 958711405 /nfs/dbraw/zinc/71/14/05/958711405.db2.gz LTDVCJVYFRBXAI-ZDUSSCGKSA-N -1 0 344.219 3.540 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)CCCCc1cccc(O)c1)C(=O)[O-] ZINC001573394878 958713142 /nfs/dbraw/zinc/71/31/42/958713142.db2.gz HQTCNTYFXBPSOD-INIZCTEOSA-N -1 0 335.444 3.501 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2ccc(C)c(-n3cccc3)c2)C(=O)[O-])c1 ZINC001594394193 958754927 /nfs/dbraw/zinc/75/49/27/958754927.db2.gz RWVKENDLODHTOD-LJQANCHMSA-N -1 0 348.402 3.650 20 0 EHADRM CCC[C@@H](CC)NC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000132544189 958788880 /nfs/dbraw/zinc/78/88/80/958788880.db2.gz COLJZVPZSXHZPO-SECBINFHSA-N -1 0 343.221 3.848 20 0 EHADRM Cc1cccc([C@H](NCc2ccsc2Br)C(=O)[O-])c1 ZINC001594398201 958795997 /nfs/dbraw/zinc/79/59/97/958795997.db2.gz TYQLQPUKSUIUOY-LBPRGKRZSA-N -1 0 340.242 3.735 20 0 EHADRM CC(C)(CCNC(=O)N[C@H](c1ccccc1)C1CCCC1)C(=O)[O-] ZINC001573474349 958951248 /nfs/dbraw/zinc/95/12/48/958951248.db2.gz RBYFBHRWVPGFJY-MRXNPFEDSA-N -1 0 332.444 3.718 20 0 EHADRM Cc1ccccc1-c1csc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)n1 ZINC001594413472 958969226 /nfs/dbraw/zinc/96/92/26/958969226.db2.gz CEKXOWDRUODWPA-NWDGAFQWSA-N -1 0 330.409 3.558 20 0 EHADRM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)C2(C(=O)[O-])CCCCC2)C1 ZINC001594416978 959013198 /nfs/dbraw/zinc/01/31/98/959013198.db2.gz QDLIHNYVEPLEJR-CVEARBPZSA-N -1 0 329.440 3.735 20 0 EHADRM Cc1ccccc1C[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001594417457 959017807 /nfs/dbraw/zinc/01/78/07/959017807.db2.gz JNBJHJSDYUKRPV-SOGBHIHOSA-N -1 0 339.391 3.533 20 0 EHADRM C[C@@H](C(=O)NC1(C(=O)[O-])CCCCCC1)c1cn(C)c2ccccc12 ZINC001588552255 959032003 /nfs/dbraw/zinc/03/20/03/959032003.db2.gz PUPOHHDPLAAJAO-CQSZACIVSA-N -1 0 342.439 3.576 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc(F)c2Br)cc1 ZINC000155677239 959041613 /nfs/dbraw/zinc/04/16/13/959041613.db2.gz PSAHVCVOJRFTCF-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM CC(C)[C@@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001573498843 959044701 /nfs/dbraw/zinc/04/47/01/959044701.db2.gz HAYPEBCEURZRSG-BFHYXJOUSA-N -1 0 343.345 3.630 20 0 EHADRM CSCc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC001594188017 959139282 /nfs/dbraw/zinc/13/92/82/959139282.db2.gz IJHQWUUAKCBBMZ-UHFFFAOYSA-N -1 0 348.399 3.709 20 0 EHADRM CC(C)C[C@@H](NC(=O)Nc1cccc(SC(F)F)c1)C(=O)[O-] ZINC001573529242 959155805 /nfs/dbraw/zinc/15/58/05/959155805.db2.gz KEKWUZXRMDTSKK-LLVKDONJSA-N -1 0 332.372 3.622 20 0 EHADRM CSc1cc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)ccn1 ZINC001594189322 959156342 /nfs/dbraw/zinc/15/63/42/959156342.db2.gz DXZRXVLUXLJPQM-UHFFFAOYSA-N -1 0 340.763 3.547 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1cc(OCc2ccccc2)cs1)C(=O)[O-] ZINC001573529414 959157759 /nfs/dbraw/zinc/15/77/59/959157759.db2.gz QYPKBWOMDXVFQA-OAHLLOKOSA-N -1 0 347.436 3.556 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCC[C@@H](C2CCCC2)C1)CC(=O)[O-] ZINC001573531699 959164202 /nfs/dbraw/zinc/16/42/02/959164202.db2.gz LKXZZQBMZXDWJZ-DOTOQJQBSA-N -1 0 338.492 3.735 20 0 EHADRM CC(C)OC1(CNC(=O)Nc2ccccc2CC(=O)[O-])CCCCC1 ZINC001573549480 959226165 /nfs/dbraw/zinc/22/61/65/959226165.db2.gz IVGCGNVEBMYNSI-UHFFFAOYSA-N -1 0 348.443 3.563 20 0 EHADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCC1(c2ccccc2)CCCCCC1 ZINC001594226112 959429219 /nfs/dbraw/zinc/42/92/19/959429219.db2.gz XTYAFVNJKDSTCL-QRWLVFNGSA-N -1 0 329.440 3.506 20 0 EHADRM O=C([O-])[C@H]1CCCN1C(=O)c1cc2sc3ccccc3c2s1 ZINC000178276819 959429167 /nfs/dbraw/zinc/42/91/67/959429167.db2.gz MXVBMBZLLQQIJV-SNVBAGLBSA-N -1 0 331.418 3.805 20 0 EHADRM C[C@H](C(=O)[O-])c1noc(CCCOc2cccc(Cl)c2Cl)n1 ZINC001588602579 959442557 /nfs/dbraw/zinc/44/25/57/959442557.db2.gz NOHUZIDGLRHLMD-QMMMGPOBSA-N -1 0 345.182 3.576 20 0 EHADRM C[C@H](CSCc1ccccc1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001573607914 959460635 /nfs/dbraw/zinc/46/06/35/959460635.db2.gz JRFZWUJUQNOVEF-CVEARBPZSA-N -1 0 349.496 3.659 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)cc2)cs1 ZINC000183970272 959461446 /nfs/dbraw/zinc/46/14/46/959461446.db2.gz WLGNKPJLRAVLNL-KBPBESRZSA-N -1 0 344.436 3.948 20 0 EHADRM O=C([O-])[C@H]1Cc2ccccc2N(C(=O)c2csc3ccccc23)C1 ZINC000392234770 972431771 /nfs/dbraw/zinc/43/17/71/972431771.db2.gz VBGMTUHVVLHKLB-ZDUSSCGKSA-N -1 0 337.400 3.805 20 0 EHADRM Cc1nc2ccc(COC(=O)[C@H](C(=O)[O-])C3CCCC3)cc2s1 ZINC001594464261 959493227 /nfs/dbraw/zinc/49/32/27/959493227.db2.gz OTUKYYVNRJBJHE-HNNXBMFYSA-N -1 0 333.409 3.539 20 0 EHADRM C[C@@H](CC(=O)N(C)Cc1ccc(OCC(=O)[O-])cc1)C1CCCCC1 ZINC000187524976 959504630 /nfs/dbraw/zinc/50/46/30/959504630.db2.gz OOAPETNYUYKPBY-HNNXBMFYSA-N -1 0 347.455 3.715 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(Cl)c1Br ZINC000190089689 959510157 /nfs/dbraw/zinc/51/01/57/959510157.db2.gz DWSZACGKXYIZPK-UHFFFAOYSA-N -1 0 348.624 3.932 20 0 EHADRM Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000190610907 959514749 /nfs/dbraw/zinc/51/47/49/959514749.db2.gz ZNUIMCRJHBATAN-MRVPVSSYSA-N -1 0 336.775 3.775 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000190763634 959521085 /nfs/dbraw/zinc/52/10/85/959521085.db2.gz OCRQLAIOVQBOGE-HNNXBMFYSA-N -1 0 335.762 3.815 20 0 EHADRM Cc1nscc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000190811128 959524341 /nfs/dbraw/zinc/52/43/41/959524341.db2.gz PNVGGWDGARJICL-HNNXBMFYSA-N -1 0 346.452 3.695 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)Cc2cccc(Cl)c2)cc1)C(=O)[O-] ZINC000191394044 959558313 /nfs/dbraw/zinc/55/83/13/959558313.db2.gz RMAGZMLVJHGAFY-GFCCVEGCSA-N -1 0 331.799 3.784 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1)C(=O)[O-] ZINC000191400645 959561121 /nfs/dbraw/zinc/56/11/21/959561121.db2.gz OVQZJPDXLDRLOB-NSHDSACASA-N -1 0 329.421 3.752 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000191510795 959573510 /nfs/dbraw/zinc/57/35/10/959573510.db2.gz MCYMWIXSBUQWNI-CQSZACIVSA-N -1 0 335.419 3.546 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000192891153 959594813 /nfs/dbraw/zinc/59/48/13/959594813.db2.gz KAXRBXRRBNEUJH-NSHDSACASA-N -1 0 343.876 3.929 20 0 EHADRM CC[C@H](CC(=O)Nc1cc(C(=O)[O-])cs1)c1ccc(OC)cc1 ZINC000192917728 959596777 /nfs/dbraw/zinc/59/67/77/959596777.db2.gz BIVQULCDLNKFDE-LLVKDONJSA-N -1 0 333.409 3.977 20 0 EHADRM Cc1[nH]c2ccccc2c1C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001594250150 959603362 /nfs/dbraw/zinc/60/33/62/959603362.db2.gz POXSNDFXYGRTEQ-NVXWUHKLSA-N -1 0 334.375 3.519 20 0 EHADRM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC001573640022 959605499 /nfs/dbraw/zinc/60/54/99/959605499.db2.gz CYNVUSDCLYHZST-CKEIUWERSA-N -1 0 347.455 3.606 20 0 EHADRM Cc1nn(-c2ccccc2F)cc1CNc1cccc(CC(=O)[O-])c1 ZINC001594478068 959616769 /nfs/dbraw/zinc/61/67/69/959616769.db2.gz WVIKFOHFRYGQAS-UHFFFAOYSA-N -1 0 339.370 3.559 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC001588631462 959617954 /nfs/dbraw/zinc/61/79/54/959617954.db2.gz LGCPLZMUVLKTDY-BBRMVZONSA-N -1 0 335.419 3.669 20 0 EHADRM C[C@@H](c1ccc(C(=O)Nc2ccnc(C(=O)[O-])c2)cc1)C(F)(F)F ZINC001573644304 959632563 /nfs/dbraw/zinc/63/25/63/959632563.db2.gz XRSMKNGMAIATBW-VIFPVBQESA-N -1 0 338.285 3.698 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc2nc(C(F)(F)F)oc2c1 ZINC001588634824 959644507 /nfs/dbraw/zinc/64/45/07/959644507.db2.gz VOEBXIVBTHBLAT-SNVBAGLBSA-N -1 0 344.289 3.532 20 0 EHADRM Cc1c(F)c(C(F)(F)F)ccc1C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC001594256504 959650387 /nfs/dbraw/zinc/65/03/87/959650387.db2.gz HGIDISYGWVRFQQ-JTQLQIEISA-N -1 0 347.308 3.622 20 0 EHADRM CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)C1(C(=O)[O-])CCSCC1 ZINC001588643456 959715172 /nfs/dbraw/zinc/71/51/72/959715172.db2.gz QLNRHBYAOPKMAC-KBPBESRZSA-N -1 0 341.517 3.553 20 0 EHADRM Cc1c2nc(NC(=O)c3coc(/C=C/C(=O)[O-])c3)sc2ccc1F ZINC001594263020 959716414 /nfs/dbraw/zinc/71/64/14/959716414.db2.gz YQCXJDSLDZPNCD-GORDUTHDSA-N -1 0 346.339 3.687 20 0 EHADRM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC001594266050 959738293 /nfs/dbraw/zinc/73/82/93/959738293.db2.gz ABPLRNVYYAZTCN-KGLIPLIRSA-N -1 0 332.444 3.529 20 0 EHADRM C[C@@H]1C[C@H](NC(=O)NCC2(C(=O)[O-])CCC2)C[C@@H](c2ccccc2)C1 ZINC001573701616 959836000 /nfs/dbraw/zinc/83/60/00/959836000.db2.gz QDEFOPQCQGCCRO-XIRDDKMYSA-N -1 0 344.455 3.513 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)Nc1cc(F)ccc1Cl)C2 ZINC000392313295 972469894 /nfs/dbraw/zinc/46/98/94/972469894.db2.gz HKZWDJDZHWTYDK-UHFFFAOYSA-N -1 0 348.761 3.768 20 0 EHADRM CCC(CC)n1ccc(CN2CCCc3c(C(=O)[O-])cccc32)n1 ZINC000392456524 972488081 /nfs/dbraw/zinc/48/80/81/972488081.db2.gz HBSRHVPAMAXRJO-UHFFFAOYSA-N -1 0 327.428 3.895 20 0 EHADRM C[C@@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)C[C@@H]1C(=O)[O-] ZINC001573725669 960401883 /nfs/dbraw/zinc/40/18/83/960401883.db2.gz GGXXOZSSVLVUIN-CJNGLKHVSA-N -1 0 349.858 3.721 20 0 EHADRM CCCCOc1ccc(C(=O)N2CCc3ccc(C(=O)[O-])cc32)cc1 ZINC000392641477 972504399 /nfs/dbraw/zinc/50/43/99/972504399.db2.gz LHKPBGQYYFTXKH-UHFFFAOYSA-N -1 0 339.391 3.767 20 0 EHADRM CSc1ccc([C@@H](C)NC(=O)c2coc(/C=C\C(=O)[O-])c2)cc1 ZINC001574257372 960541377 /nfs/dbraw/zinc/54/13/77/960541377.db2.gz HTHXIKIEKQVVLI-UIJKISKDSA-N -1 0 331.393 3.590 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)NCc1ccc(C2CCC2)cc1 ZINC001605800312 972512922 /nfs/dbraw/zinc/51/29/22/972512922.db2.gz LKBWALQXJOAEOC-UHFFFAOYSA-N -1 0 338.407 3.652 20 0 EHADRM C[C@H]1Cc2ccccc2N1Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001573757018 960564610 /nfs/dbraw/zinc/56/46/10/960564610.db2.gz FOKXHYOWCGFPIM-HOCLYGCPSA-N -1 0 340.423 3.532 20 0 EHADRM CCC(=O)c1ccc(OCCOc2ccccc2C(=O)[O-])c(F)c1 ZINC001573757886 960576040 /nfs/dbraw/zinc/57/60/40/960576040.db2.gz DBRVNRYXJVHWRK-UHFFFAOYSA-N -1 0 332.327 3.574 20 0 EHADRM C/C=C\C[C@@H]1CCCN(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)C1 ZINC001573760184 960608260 /nfs/dbraw/zinc/60/82/60/960608260.db2.gz WSQXLLLQSGTZAL-OSMXNAILSA-N -1 0 342.439 3.687 20 0 EHADRM O=C([O-])c1ccccc1CCNC(=O)c1cc(Cl)sc1Cl ZINC000236457747 960630254 /nfs/dbraw/zinc/63/02/54/960630254.db2.gz PGAUDEQPFAZWSC-UHFFFAOYSA-N -1 0 344.219 3.726 20 0 EHADRM CCOc1ccc2cc(C(=O)Nc3ccc(C(=O)[O-])cc3C)[nH]c2c1 ZINC001253328869 960645651 /nfs/dbraw/zinc/64/56/51/960645651.db2.gz ALCCIDKHKOBAJB-UHFFFAOYSA-N -1 0 338.363 3.826 20 0 EHADRM CC(C)Sc1ccccc1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000236624178 960719131 /nfs/dbraw/zinc/71/91/31/960719131.db2.gz LNBHJSLCMKRAQI-CQSZACIVSA-N -1 0 335.469 3.904 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000236678208 960732053 /nfs/dbraw/zinc/73/20/53/960732053.db2.gz IQXMGSUVKMECSV-MSOLQXFVSA-N -1 0 325.408 3.513 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1nnc(-c2cc(C)cc(C)c2)s1 ZINC001573785395 960733712 /nfs/dbraw/zinc/73/37/12/960733712.db2.gz SQMHLTGVJASKFX-UHFFFAOYSA-N -1 0 347.440 3.651 20 0 EHADRM Cc1c(F)cccc1NCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001574305259 960735942 /nfs/dbraw/zinc/73/59/42/960735942.db2.gz ZWMOPQAQRKQXMB-CYBMUJFWSA-N -1 0 332.375 3.640 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)[C@H](C)CSc1ccc(F)cc1 ZINC000236731354 960744974 /nfs/dbraw/zinc/74/49/74/960744974.db2.gz NHZJPFREXOPQKS-CYBMUJFWSA-N -1 0 341.448 3.513 20 0 EHADRM Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000236780328 960755333 /nfs/dbraw/zinc/75/53/33/960755333.db2.gz XVPNOMVGLILKLB-AWEZNQCLSA-N -1 0 346.452 3.574 20 0 EHADRM CN(C(=O)CCSc1ccccc1Cl)C(C)(C)CC(=O)[O-] ZINC001261763035 960758712 /nfs/dbraw/zinc/75/87/12/960758712.db2.gz PJYMEAAZXYCTNV-UHFFFAOYSA-N -1 0 329.849 3.534 20 0 EHADRM CCC[C@](C)(NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000236808911 960763240 /nfs/dbraw/zinc/76/32/40/960763240.db2.gz WGVYCIIKJBDSFN-BZNIZROVSA-N -1 0 345.361 3.959 20 0 EHADRM CCC(CC)(CNC(=O)[C@H](C)Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000236866598 960781757 /nfs/dbraw/zinc/78/17/57/960781757.db2.gz LETQDNOOJUWTMM-NSHDSACASA-N -1 0 343.876 3.828 20 0 EHADRM CCSCc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000236862924 960782696 /nfs/dbraw/zinc/78/26/96/960782696.db2.gz CYIHTKGJLBSRKC-AWEZNQCLSA-N -1 0 349.477 3.947 20 0 EHADRM COc1cc(CN(C)Cc2cc(C(=O)[O-])c(C)o2)ccc1OC(C)C ZINC001262156569 960786826 /nfs/dbraw/zinc/78/68/26/960786826.db2.gz WYLYPZXHWOPHTF-UHFFFAOYSA-N -1 0 347.411 3.714 20 0 EHADRM CC[C@@H](C)NC(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000236890738 960790030 /nfs/dbraw/zinc/79/00/30/960790030.db2.gz AQVILOISEMNQHX-LLVKDONJSA-N -1 0 333.409 3.798 20 0 EHADRM CCCc1c(C(=O)Nc2cc(C(=O)[O-])ccc2F)[nH]c(C)c1C(C)=O ZINC000236893030 960791963 /nfs/dbraw/zinc/79/19/63/960791963.db2.gz IVQJMKCURLGCAW-UHFFFAOYSA-N -1 0 346.358 3.568 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NC[C@H]2CCCCC(F)(F)C2)c1 ZINC001574317971 960798582 /nfs/dbraw/zinc/79/85/82/960798582.db2.gz FAFIVUDFEZDZTR-LBPRGKRZSA-N -1 0 325.355 3.639 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1ccccc1OC(F)F ZINC000236961247 960812473 /nfs/dbraw/zinc/81/24/73/960812473.db2.gz STCKIOFREIBCHS-CQSZACIVSA-N -1 0 349.333 3.867 20 0 EHADRM Cc1cc(C)c2c(c1)CN(C(=O)C1(C(=O)[O-])CCCCCC1)CC2 ZINC001574322073 960829807 /nfs/dbraw/zinc/82/98/07/960829807.db2.gz MRENXQLLFYTEQX-UHFFFAOYSA-N -1 0 329.440 3.613 20 0 EHADRM CCOc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1Cl ZINC000237016256 960836905 /nfs/dbraw/zinc/83/69/05/960836905.db2.gz IEILMSWCGUIGKD-NWDGAFQWSA-N -1 0 325.792 3.568 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)Nc1nc(CC(=O)[O-])cs1)c1ccccc1 ZINC000237029167 960845246 /nfs/dbraw/zinc/84/52/46/960845246.db2.gz LYUZNSCDBOBZMH-XHDPSFHLSA-N -1 0 332.425 3.539 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)CSc1cccc(C(F)(F)F)c1 ZINC000237036421 960847180 /nfs/dbraw/zinc/84/71/80/960847180.db2.gz ODIPJNWYJAOOSY-SNVBAGLBSA-N -1 0 349.374 3.509 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1nc(-c2ccccc2)oc1C1CC1 ZINC000237070179 960861526 /nfs/dbraw/zinc/86/15/26/960861526.db2.gz AHPPLNLGFAKZHB-GFCCVEGCSA-N -1 0 342.395 3.544 20 0 EHADRM CCOc1ccc([C@@H]2CCCN2C(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000237115776 960873788 /nfs/dbraw/zinc/87/37/88/960873788.db2.gz XQSLRFLVMCBNBL-SFHVURJKSA-N -1 0 339.391 3.761 20 0 EHADRM CN(Cc1csc2ccccc12)C(=O)c1cccc(C(=O)[O-])c1 ZINC000237190538 960884299 /nfs/dbraw/zinc/88/42/99/960884299.db2.gz ZTOCIICWPHJKMD-UHFFFAOYSA-N -1 0 325.389 3.872 20 0 EHADRM Cc1cc(NC(=O)[C@H](C(=O)[O-])C2CCCC2)ccc1Br ZINC001574333235 960897695 /nfs/dbraw/zinc/89/76/95/960897695.db2.gz LWTYRQDDVIEFME-CYBMUJFWSA-N -1 0 340.217 3.587 20 0 EHADRM Cc1cc(NC(=O)Cc2ccccc2C(=O)[O-])c2cccnc2c1C ZINC001574337754 960908283 /nfs/dbraw/zinc/90/82/83/960908283.db2.gz HFCDHSHBQPVQMB-UHFFFAOYSA-N -1 0 334.375 3.731 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)N1CCC[C@@](CC)(C(=O)[O-])C1 ZINC001573812852 960908704 /nfs/dbraw/zinc/90/87/04/960908704.db2.gz HGNKRXFQSNCPPP-CRAIPNDOSA-N -1 0 335.469 3.661 20 0 EHADRM COc1cc(CNC(=O)C[C@@H](C)C2CCCCC2)ccc1C(=O)[O-] ZINC000237341189 960914941 /nfs/dbraw/zinc/91/49/41/960914941.db2.gz NVSQQHSZPVEWBL-CYBMUJFWSA-N -1 0 333.428 3.616 20 0 EHADRM CC[C@H](OC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccc(OC)cc1 ZINC001573813737 960918831 /nfs/dbraw/zinc/91/88/31/960918831.db2.gz QAEUIDYRFWLOPX-KLQCNHIUSA-N -1 0 330.336 3.694 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N(C)Cc1cccc(F)c1)C(=O)[O-] ZINC000237366752 960920294 /nfs/dbraw/zinc/92/02/94/960920294.db2.gz DCMPVUNLWLSISQ-GFCCVEGCSA-N -1 0 347.411 3.663 20 0 EHADRM Cc1ccc(F)c(NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])c1 ZINC000237382656 960921633 /nfs/dbraw/zinc/92/16/33/960921633.db2.gz RSUQYHSBRJMSBL-LLVKDONJSA-N -1 0 333.384 3.952 20 0 EHADRM CCCc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C)cc2)cc1 ZINC001319219656 960925503 /nfs/dbraw/zinc/92/55/03/960925503.db2.gz XDLIEKSRRBQOEJ-SFHVURJKSA-N -1 0 325.408 3.893 20 0 EHADRM Cc1cc(/C=C/C(=O)N(C)C[C@H](C)C(=O)[O-])c(C)n1C1CCCCC1 ZINC000237400589 960927577 /nfs/dbraw/zinc/92/75/77/960927577.db2.gz XZNCTFHLFQTBBL-VNDWYCCKSA-N -1 0 346.471 3.802 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)CC(C1CC1)C1CC1)C(=O)[O-] ZINC001319309367 960936982 /nfs/dbraw/zinc/93/69/82/960936982.db2.gz JBPWCPGXCYPJAV-AWEZNQCLSA-N -1 0 329.440 3.562 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000237521430 960953725 /nfs/dbraw/zinc/95/37/25/960953725.db2.gz BJGSZHQSQXMUEM-HJWJTTGWSA-N -1 0 347.480 3.553 20 0 EHADRM Cc1ccc(CNC(=O)CC(C)(C)CC(=O)[O-])c(OC(C)(C)C)c1 ZINC000237537597 960956587 /nfs/dbraw/zinc/95/65/87/960956587.db2.gz GDXIUJAMFWBZPS-UHFFFAOYSA-N -1 0 335.444 3.680 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)Nc3cc(C(=O)[O-])ccc3F)cc2C1 ZINC000237550491 960957765 /nfs/dbraw/zinc/95/77/65/960957765.db2.gz XKGYHCUYECVJTN-SECBINFHSA-N -1 0 333.384 3.963 20 0 EHADRM Cc1cccc(F)c1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC001320090780 960973328 /nfs/dbraw/zinc/97/33/28/960973328.db2.gz MVDZUQYIJTYPMO-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM C[C@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1cc2ccccc2o1 ZINC000237616673 960974446 /nfs/dbraw/zinc/97/44/46/960974446.db2.gz HWTNLDDNPYZJAZ-ZDUSSCGKSA-N -1 0 337.375 3.941 20 0 EHADRM C[C@H](NC(=O)c1cccc(C(=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC000237615122 960974564 /nfs/dbraw/zinc/97/45/64/960974564.db2.gz OOVDXTJVEBPGIF-JTQLQIEISA-N -1 0 332.425 3.630 20 0 EHADRM Cc1cccc(Nc2ccccc2C(=O)N[C@H](C)CC(=O)[O-])c1C ZINC000237636368 960981288 /nfs/dbraw/zinc/98/12/88/960981288.db2.gz LVGVDENMLUFTTF-CYBMUJFWSA-N -1 0 326.396 3.640 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)cc1C(=O)[O-] ZINC000237695347 960999974 /nfs/dbraw/zinc/99/99/74/960999974.db2.gz NBWOOJCIXDWYKX-UKRRQHHQSA-N -1 0 331.318 3.714 20 0 EHADRM Cc1cccc(OCCCCC(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC000237707978 961002707 /nfs/dbraw/zinc/00/27/07/961002707.db2.gz KHFODXLTZBYQQH-QGZVFWFLSA-N -1 0 347.455 3.648 20 0 EHADRM Cn1c2ccccc2c(Cl)c1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000237726241 961008591 /nfs/dbraw/zinc/00/85/91/961008591.db2.gz ZIYOCONZGATMJV-UHFFFAOYSA-N -1 0 328.755 3.782 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)CCc1ccccc1Cl ZINC000237753957 961016133 /nfs/dbraw/zinc/01/61/33/961016133.db2.gz ACGXHFHZWASMMN-UHFFFAOYSA-N -1 0 347.798 3.683 20 0 EHADRM CCC[C@@H](C)CC(=O)Nc1scc(-c2cnn(C)c2)c1C(=O)[O-] ZINC001573831723 961028957 /nfs/dbraw/zinc/02/89/57/961028957.db2.gz HMHJGJUPKLXJSW-SNVBAGLBSA-N -1 0 335.429 3.612 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)ccc1C(=O)[O-] ZINC000237816038 961029706 /nfs/dbraw/zinc/02/97/06/961029706.db2.gz FWTZJVJDUVISFA-GHTZIAJQSA-N -1 0 335.403 3.926 20 0 EHADRM Cc1ccc2c(CC(=O)N[C@@H](CC(=O)[O-])c3cccs3)coc2c1 ZINC000237874983 961036996 /nfs/dbraw/zinc/03/69/96/961036996.db2.gz RWYOZMCWSBLMDM-AWEZNQCLSA-N -1 0 343.404 3.677 20 0 EHADRM Cc1ccc2oc(C(=O)Nc3ccc(OCCC(=O)[O-])cc3)cc2c1 ZINC000237911499 961039698 /nfs/dbraw/zinc/03/96/98/961039698.db2.gz JZTWYRCAODXPMQ-UHFFFAOYSA-N -1 0 339.347 3.847 20 0 EHADRM Cc1ccc(CN(CC(C)C)C(=O)NCCCCC(=O)[O-])c(C)c1 ZINC001574366745 961042866 /nfs/dbraw/zinc/04/28/66/961042866.db2.gz QSNGXFIOHABCLY-UHFFFAOYSA-N -1 0 334.460 3.726 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCc1ccc(Cl)s1 ZINC000237968520 961058529 /nfs/dbraw/zinc/05/85/29/961058529.db2.gz ZRYLMYCCDMOLER-DRZSPHRISA-N -1 0 341.860 3.578 20 0 EHADRM Cc1ccc(F)c2oc(C(=O)N3CCCC[C@H]3CCC(=O)[O-])cc21 ZINC001574368914 961063064 /nfs/dbraw/zinc/06/30/64/961063064.db2.gz IQCJFSZZURLLRB-LBPRGKRZSA-N -1 0 333.359 3.740 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2Cc2ccccc2Cl)s1 ZINC000237980012 961063688 /nfs/dbraw/zinc/06/36/88/961063688.db2.gz YLPMCRIOKWNMTQ-LBPRGKRZSA-N -1 0 349.839 3.947 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)Cc1noc2ccccc12 ZINC000238014005 961075270 /nfs/dbraw/zinc/07/52/70/961075270.db2.gz LNZBSLPBUGEITI-UHFFFAOYSA-N -1 0 346.342 3.860 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)[C@@H]1OCCc2ccccc21 ZINC000238015724 961077569 /nfs/dbraw/zinc/07/75/69/961077569.db2.gz BYUZNHQGLZUMKE-LJQANCHMSA-N -1 0 347.370 3.791 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H](Cc2ccccc2)c2cccs2)o1 ZINC000238036408 961083588 /nfs/dbraw/zinc/08/35/88/961083588.db2.gz LIUXMGNRJPKHGN-CYBMUJFWSA-N -1 0 341.388 3.753 20 0 EHADRM Cc1ccc(OCc2ccccc2)c(NC(=O)NCCCC(=O)[O-])c1 ZINC001574378598 961102876 /nfs/dbraw/zinc/10/28/76/961102876.db2.gz SQTIJOVUJXLGCJ-UHFFFAOYSA-N -1 0 342.395 3.560 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2cccc(OCC(F)(F)F)c2)c1 ZINC000238132122 961119137 /nfs/dbraw/zinc/11/91/37/961119137.db2.gz SQRFOILNBWMCGY-UHFFFAOYSA-N -1 0 339.269 3.578 20 0 EHADRM O=C([O-])Cc1csc(NC(=O)c2sccc2-c2ccccc2)n1 ZINC000238142348 961124838 /nfs/dbraw/zinc/12/48/38/961124838.db2.gz QXSLHQUIQUPHHQ-UHFFFAOYSA-N -1 0 344.417 3.751 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2occc2COc2ccccc2)c1 ZINC000238226390 961166066 /nfs/dbraw/zinc/16/60/66/961166066.db2.gz VYNLSEUYMRUNGP-UHFFFAOYSA-N -1 0 337.331 3.809 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2csc(C(F)(F)F)c2)C(=O)[O-])c1 ZINC001574390803 961177927 /nfs/dbraw/zinc/17/79/27/961177927.db2.gz FDCWMSGRBSCBIW-LBPRGKRZSA-N -1 0 343.326 3.631 20 0 EHADRM CCCc1ccc(C(=O)CCC(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC001573864277 961181849 /nfs/dbraw/zinc/18/18/49/961181849.db2.gz AKNVZAQBJVRWNR-UHFFFAOYSA-N -1 0 345.439 3.506 20 0 EHADRM Cc1cccc([C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)C(=O)[O-])c1 ZINC001574392173 961188428 /nfs/dbraw/zinc/18/84/28/961188428.db2.gz QJIAGQOQSRGPLQ-OTWHNJEPSA-N -1 0 337.419 3.657 20 0 EHADRM CC(C)c1ncc(Cl)c(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)n1 ZINC000263206391 1125476623 /nfs/dbraw/zinc/47/66/23/1125476623.db2.gz KUZKDRPFJSVNJY-SNVBAGLBSA-N -1 0 347.802 3.694 20 0 EHADRM CC(C)(CCNC(=O)/C=C\c1ccc(F)c2ccccc12)C(=O)[O-] ZINC001588770296 961259107 /nfs/dbraw/zinc/25/91/07/961259107.db2.gz OHJSMLSEHHUOOY-NTMALXAHSA-N -1 0 329.371 3.609 20 0 EHADRM Cc1ccccc1Oc1ccc(C(=O)Nc2ncccc2C(=O)[O-])nc1 ZINC001574404699 961260758 /nfs/dbraw/zinc/26/07/58/961260758.db2.gz XXEXLPPAAOTRKG-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C(=O)[O-])C(C)C ZINC001573881174 961277277 /nfs/dbraw/zinc/27/72/77/961277277.db2.gz MJSRBICAUCFVPB-CYBMUJFWSA-N -1 0 332.227 3.699 20 0 EHADRM C[C@H](C(=O)N(C)C(C)(C)CC(=O)[O-])c1c(Cl)cccc1Cl ZINC001331050670 961363214 /nfs/dbraw/zinc/36/32/14/961363214.db2.gz WUUHNSJEWLQHLT-VIFPVBQESA-N -1 0 332.227 3.809 20 0 EHADRM Cc1nc2cccc(Cl)c2cc1C(=O)N1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC001574426849 961370478 /nfs/dbraw/zinc/37/04/78/961370478.db2.gz OWRBGJKPEQBQFR-HWPZZCPQSA-N -1 0 346.814 3.522 20 0 EHADRM O=C([O-])CCCCC(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000261556038 961379992 /nfs/dbraw/zinc/37/99/92/961379992.db2.gz VOPRVHCLRNSNJO-UHFFFAOYSA-N -1 0 325.408 3.860 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)NCc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000262095238 961451380 /nfs/dbraw/zinc/45/13/80/961451380.db2.gz MCUHCZGQMNIQCS-LBPRGKRZSA-N -1 0 329.396 3.659 20 0 EHADRM CCN(C(=O)Cc1ccccc1C(=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC000262094656 961452245 /nfs/dbraw/zinc/45/22/45/961452245.db2.gz GUTRPEDRSBYVKN-AWEZNQCLSA-N -1 0 341.407 3.546 20 0 EHADRM C[C@H](CC(=O)N[C@H](CC1CC1)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000262095800 961454583 /nfs/dbraw/zinc/45/45/83/961454583.db2.gz BLOCUBKXUAAMNV-QMTHXVAHSA-N -1 0 343.345 3.569 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N1CCC(c2ccccc2)CC1 ZINC000262109651 961466651 /nfs/dbraw/zinc/46/66/51/961466651.db2.gz IMHDKPKQMAVSCN-UHFFFAOYSA-N -1 0 337.419 3.724 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1cccc(OCCc2ccccc2)c1 ZINC001588809139 961506755 /nfs/dbraw/zinc/50/67/55/961506755.db2.gz BQRHJGQJTWVQGQ-GOSISDBHSA-N -1 0 341.407 3.603 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)OCc1cccc(Br)c1Cl ZINC001588812520 961529407 /nfs/dbraw/zinc/52/94/07/961529407.db2.gz GBJGHSTWBNUELY-SNVBAGLBSA-N -1 0 349.608 3.503 20 0 EHADRM CCOc1ccc(NC(=O)C2(C(=O)[O-])CCCCC2)cc1Cl ZINC001573920332 961529577 /nfs/dbraw/zinc/52/95/77/961529577.db2.gz YJSUZCDGZGNSNE-UHFFFAOYSA-N -1 0 325.792 3.712 20 0 EHADRM CC[C@@H](NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)c1ccccc1F ZINC001573931349 961575895 /nfs/dbraw/zinc/57/58/95/961575895.db2.gz TXUZPONVTHYXMG-XJKSGUPXSA-N -1 0 338.423 3.713 20 0 EHADRM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000262233260 961576873 /nfs/dbraw/zinc/57/68/73/961576873.db2.gz SPUIKZYQCTUHJZ-HNNXBMFYSA-N -1 0 337.419 3.755 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N1CCC[C@H]1c1ccsc1 ZINC000262273079 961610416 /nfs/dbraw/zinc/61/04/16/961610416.db2.gz YLJAPZBUJREXRN-INIZCTEOSA-N -1 0 329.421 3.743 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CCCc2ccccc21)c1ccc(F)cc1 ZINC000262320017 961640562 /nfs/dbraw/zinc/64/05/62/961640562.db2.gz QRKNQKFPANSCDA-MSOLQXFVSA-N -1 0 341.382 3.578 20 0 EHADRM CCc1ccc(CN(CC(C)C)C(=O)C2(C(=O)[O-])CC=CC2)cc1 ZINC001573957071 961678304 /nfs/dbraw/zinc/67/83/04/961678304.db2.gz VYJGXCXDTYBQND-UHFFFAOYSA-N -1 0 329.440 3.655 20 0 EHADRM CCc1ccc2occ(C(=O)N3CCC[C@](CC)(C(=O)[O-])C3)c2c1 ZINC001573960415 961681898 /nfs/dbraw/zinc/68/18/98/961681898.db2.gz HHZYSVGJRFNYPY-IBGZPJMESA-N -1 0 329.396 3.712 20 0 EHADRM C[C@H](CCOc1ccccc1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000262387214 961688320 /nfs/dbraw/zinc/68/83/20/961688320.db2.gz LOFQJMKSFOGIES-OAHLLOKOSA-N -1 0 341.407 3.748 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CC/C=C/c1ccccc1 ZINC000262418040 961706914 /nfs/dbraw/zinc/70/69/14/961706914.db2.gz KNAJEGPWUQEAFK-IBRDKZOMSA-N -1 0 327.424 3.724 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)/C=C/c1cc(Cl)cc(Cl)c1 ZINC001333549388 961717667 /nfs/dbraw/zinc/71/76/67/961717667.db2.gz BGWFNPQHTSQSKJ-RGDDUWESSA-N -1 0 330.211 3.766 20 0 EHADRM CC(C)CN(C)C(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000262657188 961795903 /nfs/dbraw/zinc/79/59/03/961795903.db2.gz SVQJQZHHZKQRMY-UHFFFAOYSA-N -1 0 347.436 3.998 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)NC[C@@H](C)c1ccccc1)C(=O)[O-] ZINC000262656067 961796090 /nfs/dbraw/zinc/79/60/90/961796090.db2.gz SSPRXJIZNVKHKO-ZIAGYGMSSA-N -1 0 343.448 3.785 20 0 EHADRM CC(C)[C@@H]1CCCCCN1C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001588842227 961813962 /nfs/dbraw/zinc/81/39/62/961813962.db2.gz WOIGWXVXDVWSOU-JONQDZQNSA-N -1 0 338.492 3.732 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262703098 961815415 /nfs/dbraw/zinc/81/54/15/961815415.db2.gz IQPTZAMZMJSLFV-JYJNAYRXSA-N -1 0 331.456 3.750 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC000262705331 961816418 /nfs/dbraw/zinc/81/64/18/961816418.db2.gz JFFHHDWIYSOIHZ-QEJZJMRPSA-N -1 0 335.469 3.867 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)C(C)(C)c2ccccc2F)cc1 ZINC000262824871 961890254 /nfs/dbraw/zinc/89/02/54/961890254.db2.gz BAXPDYSGADZEIB-LBPRGKRZSA-N -1 0 329.371 3.930 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CC[C@H](C(C)(C)C)C[C@H]1C)C(=O)[O-] ZINC001588850646 961924740 /nfs/dbraw/zinc/92/47/40/961924740.db2.gz XEPZRQDEDYIZCO-KFWWJZLASA-N -1 0 326.481 3.590 20 0 EHADRM CC(C)(CCNC(=O)C1(c2ccc(Cl)cc2)CCCC1)C(=O)[O-] ZINC000262879976 961953840 /nfs/dbraw/zinc/95/38/40/961953840.db2.gz CBDOYTOBRANEEZ-UHFFFAOYSA-N -1 0 337.847 3.769 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)c1ccc(F)cc1 ZINC001574548256 961957601 /nfs/dbraw/zinc/95/76/01/961957601.db2.gz NOMKHJNQZWLUCM-ZDUSSCGKSA-N -1 0 342.153 3.688 20 0 EHADRM CC(C)[C@H](CC(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-])c1ccccc1 ZINC000262895686 961970189 /nfs/dbraw/zinc/97/01/89/961970189.db2.gz HTQNKVTWVOZYPP-ZMMAXQRCSA-N -1 0 329.440 3.528 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H]2CCC[C@H](c3ccccc3)CC2)C1 ZINC001574557018 961994573 /nfs/dbraw/zinc/99/45/73/961994573.db2.gz XQYQARVVJXZTHM-WNRNVDISSA-N -1 0 329.440 3.720 20 0 EHADRM CCc1occc1C(=O)N[C@@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC000262915599 961997128 /nfs/dbraw/zinc/99/71/28/961997128.db2.gz DWLPKUCPNCNQBK-YOEHRIQHSA-N -1 0 341.407 3.535 20 0 EHADRM Cc1c(C(=O)Nc2ccc(C(=O)[O-])cc2C)cnn1C1CCCC1 ZINC001339078813 961999612 /nfs/dbraw/zinc/99/96/12/961999612.db2.gz CNDGXLAPWQJVFN-UHFFFAOYSA-N -1 0 327.384 3.566 20 0 EHADRM Cc1nc(CN[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)c(C)s1 ZINC001339320054 962023553 /nfs/dbraw/zinc/02/35/53/962023553.db2.gz QYMWPYUMWXSPTA-CYBMUJFWSA-N -1 0 344.358 3.694 20 0 EHADRM CC(C)CCOc1ccccc1NC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001588867686 962028883 /nfs/dbraw/zinc/02/88/83/962028883.db2.gz CRYUKMATLWTJHD-HUUCEWRRSA-N -1 0 348.443 3.686 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)CCCc1ccc2ccccc2c1 ZINC000262986555 962077786 /nfs/dbraw/zinc/07/77/86/962077786.db2.gz UVRUMKQNLUHOTM-MSOLQXFVSA-N -1 0 325.408 3.532 20 0 EHADRM CC(C)CN(C(=O)c1ccc(C(=O)[O-])cn1)c1ccccc1Cl ZINC001588870982 962078603 /nfs/dbraw/zinc/07/86/03/962078603.db2.gz BPSWLSHPUFMXPA-UHFFFAOYSA-N -1 0 332.787 3.736 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000262988485 962080424 /nfs/dbraw/zinc/08/04/24/962080424.db2.gz QAEUBHSSYALTIR-ADLMAVQZSA-N -1 0 345.370 3.578 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000263007475 962104851 /nfs/dbraw/zinc/10/48/51/962104851.db2.gz PJIWQXCDJYUATH-JOYOIKCWSA-N -1 0 335.400 3.532 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC001340794512 962110240 /nfs/dbraw/zinc/11/02/40/962110240.db2.gz BHIDQIMMJWNNJI-NWDGAFQWSA-N -1 0 331.318 3.714 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC000263024176 962134691 /nfs/dbraw/zinc/13/46/91/962134691.db2.gz UGMXQHOBQOGOCX-JTQLQIEISA-N -1 0 345.420 3.832 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2csc(C(C)(C)C)n2)c1 ZINC000263037834 962159644 /nfs/dbraw/zinc/15/96/44/962159644.db2.gz CRADQVSEAWZGIK-JTQLQIEISA-N -1 0 332.425 3.881 20 0 EHADRM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000263044234 962171819 /nfs/dbraw/zinc/17/18/19/962171819.db2.gz PKMHXYSQTMDGIS-NSHDSACASA-N -1 0 345.361 3.501 20 0 EHADRM CC(C)C[C@@H](Nc1cc(SCc2ccccc2)ncn1)C(=O)[O-] ZINC001588887374 962182525 /nfs/dbraw/zinc/18/25/25/962182525.db2.gz GTDJVQQNSBSCLR-CQSZACIVSA-N -1 0 331.441 3.680 20 0 EHADRM Cc1sc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)cc1-c1ccc(F)cc1 ZINC000263057475 962193195 /nfs/dbraw/zinc/19/31/95/962193195.db2.gz AYAYGTQIHMLUFJ-HZMBPMFUSA-N -1 0 347.411 3.798 20 0 EHADRM O=C([O-])[C@@H](C(=O)NCCCCCc1ccc(F)cc1)C1CCCC1 ZINC001574615962 962219214 /nfs/dbraw/zinc/21/92/14/962219214.db2.gz CBSNJIQUAGEGMR-QGZVFWFLSA-N -1 0 335.419 3.546 20 0 EHADRM O=C([O-])[C@H](C(=O)N(Cc1ccccc1)CC1CCC1)C1CCCC1 ZINC001574616047 962219454 /nfs/dbraw/zinc/21/94/54/962219454.db2.gz LMMFSZJPQDTQFV-SFHVURJKSA-N -1 0 329.440 3.706 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1ccc(C(F)(F)F)s1)CC(=O)[O-] ZINC001588894262 962223153 /nfs/dbraw/zinc/22/31/53/962223153.db2.gz ILXFUNONFHWLOC-VIFPVBQESA-N -1 0 337.363 3.634 20 0 EHADRM C[C@@H](C(=O)N1CCC[C@](C)(C(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000263081525 962225609 /nfs/dbraw/zinc/22/56/09/962225609.db2.gz USMSCHMSUCMKLA-HWPZZCPQSA-N -1 0 344.238 3.810 20 0 EHADRM CS[C@@H](C)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000263082714 962228540 /nfs/dbraw/zinc/22/85/40/962228540.db2.gz HCNIJWSDECEDCL-WFASDCNBSA-N -1 0 337.485 3.758 20 0 EHADRM CCc1ccccc1CC(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000263095183 962244787 /nfs/dbraw/zinc/24/47/87/962244787.db2.gz IGLIBASCWSGQIX-GOSISDBHSA-N -1 0 325.408 3.514 20 0 EHADRM C[C@@H](C(=O)N1CCCC[C@@H]1c1ccc(C(=O)[O-])n1C)c1ccsc1 ZINC001345185388 962260093 /nfs/dbraw/zinc/26/00/93/962260093.db2.gz MQXIPOADMSURQJ-IUODEOHRSA-N -1 0 346.452 3.642 20 0 EHADRM O=C([O-])[C@@]1(C(=O)N2CC3(CCCC3)c3ccccc32)CC=CCC1 ZINC001574625042 962267202 /nfs/dbraw/zinc/26/72/02/962267202.db2.gz LGRSTJBIGHFYFX-FQEVSTJZSA-N -1 0 325.408 3.656 20 0 EHADRM CC(C)Cn1ccc2c1cccc2C(=O)N1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC001588911649 962319557 /nfs/dbraw/zinc/31/95/57/962319557.db2.gz LHEUUVNGLFRTIM-KBXCAEBGSA-N -1 0 342.439 3.623 20 0 EHADRM CC(C)Cn1ccc2c1cccc2C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC001588911713 962320225 /nfs/dbraw/zinc/32/02/25/962320225.db2.gz PBRTXUKCUCPHMP-LSDHHAIUSA-N -1 0 342.439 3.623 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@H]2SCCc3sccc32)cc1 ZINC000263173576 962325464 /nfs/dbraw/zinc/32/54/64/962325464.db2.gz GGJYDLWRKPYKQL-BONVTDFDSA-N -1 0 347.461 3.905 20 0 EHADRM O=C([O-])C1(C(=O)OCc2cc(Cl)ccc2Cl)CCSCC1 ZINC001574639188 962330466 /nfs/dbraw/zinc/33/04/66/962330466.db2.gz YSDIECGUYCRNPS-UHFFFAOYSA-N -1 0 349.235 3.635 20 0 EHADRM CC(C)Oc1ccccc1C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000263179201 962333552 /nfs/dbraw/zinc/33/35/52/962333552.db2.gz HAKHKCUVEIYVDD-CYBMUJFWSA-N -1 0 327.380 3.914 20 0 EHADRM Cc1cc2c(cc1C)[C@H](C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1)CO2 ZINC000263195654 962349916 /nfs/dbraw/zinc/34/99/16/962349916.db2.gz JDEKPDGHUDJLNA-CXAGYDPISA-N -1 0 339.391 3.606 20 0 EHADRM CC[C@H]1CC[C@H](C(=O)Nc2cc(C(=O)[O-])cc(OC)c2OC)CC1 ZINC000263196170 962351940 /nfs/dbraw/zinc/35/19/40/962351940.db2.gz UGJGVNRROWHRTB-HAQNSBGRSA-N -1 0 335.400 3.557 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2cscc2C(F)(F)F)CCCC1 ZINC001346349955 962359432 /nfs/dbraw/zinc/35/94/32/962359432.db2.gz WLKSZDAHPKXDBF-UHFFFAOYSA-N -1 0 335.347 3.532 20 0 EHADRM O=C([O-])c1csc(-c2cccc(CNC(=O)C3CCCCC3)c2)n1 ZINC000263223823 962374933 /nfs/dbraw/zinc/37/49/33/962374933.db2.gz REBHYRIEDZBMFA-UHFFFAOYSA-N -1 0 344.436 3.705 20 0 EHADRM O=C([O-])CCCCC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000263246391 962390720 /nfs/dbraw/zinc/39/07/20/962390720.db2.gz DDEZCCSVKYSVQT-LJQANCHMSA-N -1 0 337.419 3.806 20 0 EHADRM O=C([O-])CCCCC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000263246387 962391490 /nfs/dbraw/zinc/39/14/90/962391490.db2.gz DDEZCCSVKYSVQT-IBGZPJMESA-N -1 0 337.419 3.806 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C1(Oc2ccccc2)CC1 ZINC000263260999 962399938 /nfs/dbraw/zinc/39/99/38/962399938.db2.gz UUSXDPZZYOJNSO-UHFFFAOYSA-N -1 0 325.364 3.552 20 0 EHADRM O=C([O-])CCCCC(=O)NCCCOc1ccc(Cl)cc1Cl ZINC000263271891 962409325 /nfs/dbraw/zinc/40/93/25/962409325.db2.gz IFVAVJJKEKZFJP-UHFFFAOYSA-N -1 0 348.226 3.524 20 0 EHADRM O=C([O-])C1CC(Nc2ccc(OC(F)F)c(C(F)(F)F)c2)C1 ZINC001574650962 962428687 /nfs/dbraw/zinc/42/86/87/962428687.db2.gz XJCNOLFJNJWCCG-UHFFFAOYSA-N -1 0 325.233 3.582 20 0 EHADRM CCSCc1ccc(C(=O)NCc2ccc(C(=O)[O-])s2)cc1 ZINC000263295191 962437274 /nfs/dbraw/zinc/43/72/74/962437274.db2.gz ZJSFFOONXMEJDD-UHFFFAOYSA-N -1 0 335.450 3.629 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2c(F)cccc2Sc2ccccc2)C1 ZINC001574655777 962456158 /nfs/dbraw/zinc/45/61/58/962456158.db2.gz HABLPKUIEIRNGK-GFCCVEGCSA-N -1 0 345.395 3.524 20 0 EHADRM CCOc1ccc2c(c1)CN([C@@H](C)c1cc(C)c(C(=O)[O-])o1)CC2 ZINC001349584483 962473487 /nfs/dbraw/zinc/47/34/87/962473487.db2.gz XNIOZUFQNKLCKN-ZDUSSCGKSA-N -1 0 329.396 3.804 20 0 EHADRM CC[C@H](C)Oc1cc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)ccn1 ZINC000263341196 962493140 /nfs/dbraw/zinc/49/31/40/962493140.db2.gz SAMJGMRHPULSJX-STQMWFEESA-N -1 0 342.395 3.699 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000263343044 962495498 /nfs/dbraw/zinc/49/54/98/962495498.db2.gz YDUMXCPNWUAKTN-CQSZACIVSA-N -1 0 341.860 3.602 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)C(C)(C)Oc2ccc(F)cc2)cc1 ZINC000263346432 962499463 /nfs/dbraw/zinc/49/94/63/962499463.db2.gz UEMNCQQCRLFSTB-GFCCVEGCSA-N -1 0 345.370 3.810 20 0 EHADRM CC(C)[C@@H](c1ccccc1)N(C)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000263350901 962504041 /nfs/dbraw/zinc/50/40/41/962504041.db2.gz PPRUNIYCEYIOTH-IBGZPJMESA-N -1 0 325.408 3.783 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCCC[C@@H]2/C=C/c2ccccc2)C1 ZINC000263354173 962508016 /nfs/dbraw/zinc/50/80/16/962508016.db2.gz WLJGKRXIXSRIBW-BETPZFIMSA-N -1 0 341.451 3.972 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)Nc2c(F)cc(Cl)cc2F)co1 ZINC001574667184 962524494 /nfs/dbraw/zinc/52/44/94/962524494.db2.gz KQPZASVDFMFQNO-OWOJBTEDSA-N -1 0 327.670 3.561 20 0 EHADRM O=C([O-])c1ccnc(C(=O)N2CCC[C@H]2CCC2CCCCC2)c1 ZINC000263380418 962537177 /nfs/dbraw/zinc/53/71/77/962537177.db2.gz CHNCWBKYOOYGQJ-INIZCTEOSA-N -1 0 330.428 3.745 20 0 EHADRM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000263391192 962550962 /nfs/dbraw/zinc/55/09/62/962550962.db2.gz FGXKCBBAJFSFLB-QMMMGPOBSA-N -1 0 330.331 3.711 20 0 EHADRM C[C@H](C(=O)N1CCC[C@@]1(C)C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000263392113 962553656 /nfs/dbraw/zinc/55/36/56/962553656.db2.gz CZUYTYDLDONDFV-VFZGTOFNSA-N -1 0 330.211 3.563 20 0 EHADRM O=C([O-])C1CCC(Nc2cccc(-c3ncc4n3CCCC4)c2)CC1 ZINC000263398814 962559683 /nfs/dbraw/zinc/55/96/83/962559683.db2.gz HKTLITAJGWVDDK-UHFFFAOYSA-N -1 0 339.439 3.942 20 0 EHADRM Cc1cc(C(=O)N(C)C(C)(C)CC(=O)[O-])c(C)n1C1CCCCC1 ZINC001351155006 962610229 /nfs/dbraw/zinc/61/02/29/962610229.db2.gz YREFLWKULPUOOA-UHFFFAOYSA-N -1 0 334.460 3.935 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)NC3CCC(C(=O)[O-])CC3)C2)cc1 ZINC000263438207 962615664 /nfs/dbraw/zinc/61/56/64/962615664.db2.gz CWSYRKKHEHWESV-FQXVJMBOSA-N -1 0 344.455 3.526 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC000263445858 962628989 /nfs/dbraw/zinc/62/89/89/962628989.db2.gz QXIYILGWNQNBJJ-OAHLLOKOSA-N -1 0 341.407 3.762 20 0 EHADRM CC[C@H](NC(=O)c1c(C)coc1CC(=O)[O-])c1ccc(Cl)cc1 ZINC000263452774 962642217 /nfs/dbraw/zinc/64/22/17/962642217.db2.gz TTXDBDWIMYTOQM-ZDUSSCGKSA-N -1 0 335.787 3.750 20 0 EHADRM CC(C)c1ccc([C@H]2CCCCN2C(=O)c2cc(C(=O)[O-])n[nH]2)cc1 ZINC001588967082 962653793 /nfs/dbraw/zinc/65/37/93/962653793.db2.gz ZFKYFSFZHSMKEY-QGZVFWFLSA-N -1 0 341.411 3.599 20 0 EHADRM Cc1c(C(=O)Nc2cccc(CCC(=O)[O-])c2)cnn1CCC(C)C ZINC000263472279 962657403 /nfs/dbraw/zinc/65/74/03/962657403.db2.gz YGBDUHBDGOHLBC-UHFFFAOYSA-N -1 0 343.427 3.507 20 0 EHADRM CC(C)c1ccc2c(c1)CN(C(=O)C1(C(=O)[O-])CCCCC1)CC2 ZINC001588969379 962661161 /nfs/dbraw/zinc/66/11/61/962661161.db2.gz AWNSNISZSQGMGN-UHFFFAOYSA-N -1 0 329.440 3.730 20 0 EHADRM CC(C)c1ccccc1Nc1ccc(C(=O)N(C)CC(=O)[O-])cc1 ZINC001588972873 962668516 /nfs/dbraw/zinc/66/85/16/962668516.db2.gz AVXMIAKOXHKLFU-UHFFFAOYSA-N -1 0 326.396 3.710 20 0 EHADRM CC1(C)CCCC[C@@H]1CC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000263482926 962668782 /nfs/dbraw/zinc/66/87/82/962668782.db2.gz BAGLJIMULSULPW-WBVHZDCISA-N -1 0 329.440 3.804 20 0 EHADRM C[C@@H](CCC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000263517864 962698989 /nfs/dbraw/zinc/69/89/89/962698989.db2.gz FPGSRFZXPVSSCD-HNAYVOBHSA-N -1 0 337.419 3.781 20 0 EHADRM CC(C)c1noc(-c2ccc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc2)n1 ZINC001588981089 962724929 /nfs/dbraw/zinc/72/49/29/962724929.db2.gz CMEVVQLLNUGHRI-ZDUSSCGKSA-N -1 0 345.399 3.545 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000263562930 962731044 /nfs/dbraw/zinc/73/10/44/962731044.db2.gz DBHLFXBRKIYCGC-FGTMMUONSA-N -1 0 329.440 3.501 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H](CCCc3ccccc3)C2)o1 ZINC000263576580 962742985 /nfs/dbraw/zinc/74/29/85/962742985.db2.gz QPKKJZYFMJARPE-INIZCTEOSA-N -1 0 341.407 3.853 20 0 EHADRM CC(C)(NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1cccc(Cl)c1F ZINC000263578427 962744192 /nfs/dbraw/zinc/74/41/92/962744192.db2.gz SQILPXPDNSOWAU-MNOVXSKESA-N -1 0 341.810 3.721 20 0 EHADRM Cc1cc(OCc2ccccc2)ccc1NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001517259792 962763365 /nfs/dbraw/zinc/76/33/65/962763365.db2.gz MQVBRIIRDAOKIA-IYBDPMFKSA-N -1 0 339.391 3.623 20 0 EHADRM COc1cc([C@@H](C)NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc2ccccc21 ZINC001574177807 962809481 /nfs/dbraw/zinc/80/94/81/962809481.db2.gz ZYWZHXKICGMTJP-VHDGCEQUSA-N -1 0 341.407 3.527 20 0 EHADRM O=C([O-])COc1ccc(C(=O)O[C@@H]2CCSc3ccccc32)cc1 ZINC001574731524 962841266 /nfs/dbraw/zinc/84/12/66/962841266.db2.gz CHMJRZRHIDMDLL-OAHLLOKOSA-N -1 0 344.388 3.544 20 0 EHADRM C=Cc1ccc(CCNC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC001573340577 962900714 /nfs/dbraw/zinc/90/07/14/962900714.db2.gz SPYLKPDHPNMSEO-UHFFFAOYSA-N -1 0 328.343 3.531 20 0 EHADRM CC(C)c1[nH]ccc1C(=O)N1CCCC[C@H]1c1ccc(C(=O)[O-])n1C ZINC001526765518 962905807 /nfs/dbraw/zinc/90/58/07/962905807.db2.gz GUDBJDPXKZNLDF-HNNXBMFYSA-N -1 0 343.427 3.542 20 0 EHADRM CCCC[C@H](C)C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000311362580 963474961 /nfs/dbraw/zinc/47/49/61/963474961.db2.gz BXRCVORHEHNVPT-VIFPVBQESA-N -1 0 328.206 3.912 20 0 EHADRM Cc1cc(NC(=O)CSCc2cccc(C)c2)sc1C(=O)[O-] ZINC000314289993 963736251 /nfs/dbraw/zinc/73/62/51/963736251.db2.gz RRMFGLZASUJORF-UHFFFAOYSA-N -1 0 335.450 3.935 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])[nH]1)c1ccc(Cl)cc1Cl ZINC000314315103 963739716 /nfs/dbraw/zinc/73/97/16/963739716.db2.gz MQTVQOLAQVQJAQ-SSDOTTSWSA-N -1 0 327.167 3.511 20 0 EHADRM O=C([O-])c1ccc(Cl)cc1OCc1noc(-c2cccs2)n1 ZINC000314631219 963780530 /nfs/dbraw/zinc/78/05/30/963780530.db2.gz IXDNRJDTEBVRBP-UHFFFAOYSA-N -1 0 336.756 3.729 20 0 EHADRM C[C@H](NCc1cc(Br)cs1)c1ncc(C(=O)[O-])s1 ZINC000314677132 963789405 /nfs/dbraw/zinc/78/94/05/963789405.db2.gz QTIONTQDJDCJLL-LURJTMIESA-N -1 0 347.259 3.516 20 0 EHADRM C[C@H](NCc1ccc(C(F)(F)F)cc1)c1ncc(C(=O)[O-])s1 ZINC000315291851 963875812 /nfs/dbraw/zinc/87/58/12/963875812.db2.gz HYUFZMBGLZBEIJ-QMMMGPOBSA-N -1 0 330.331 3.711 20 0 EHADRM Cc1cc(C(=O)[O-])c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000315729929 963929943 /nfs/dbraw/zinc/92/99/43/963929943.db2.gz TZBJFJIBCAOJSN-UHFFFAOYSA-N -1 0 340.744 3.569 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2ccc(F)cc2Cl)CCCCC1 ZINC000316457177 964014710 /nfs/dbraw/zinc/01/47/10/964014710.db2.gz HTALSISLUHSVTM-UHFFFAOYSA-N -1 0 328.771 3.636 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2sc3ccccc3c2Cl)cn1 ZINC000316985305 964083320 /nfs/dbraw/zinc/08/33/20/964083320.db2.gz MDHBDDHURCZXSK-UHFFFAOYSA-N -1 0 332.768 3.900 20 0 EHADRM Cc1c(Br)cccc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000225889720 967700740 /nfs/dbraw/zinc/70/07/40/967700740.db2.gz VOXNWYBFOKVFQK-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1c[nH]cc1-c1ccc(Cl)s1)C(=O)[O-] ZINC000262885050 967831059 /nfs/dbraw/zinc/83/10/59/967831059.db2.gz MJDPKHFFSJKHIS-LLVKDONJSA-N -1 0 340.832 3.626 20 0 EHADRM CCc1cc(C)cc(CC)c1NC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263066780 967843306 /nfs/dbraw/zinc/84/33/06/967843306.db2.gz GGTYZKZJOYJGOL-XJKSGUPXSA-N -1 0 332.444 3.694 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCCCC(=O)[O-] ZINC000263239358 967865157 /nfs/dbraw/zinc/86/51/57/967865157.db2.gz CAXQIAWAMSYRAI-JTQLQIEISA-N -1 0 332.227 3.686 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Nc1ccc(Cl)c(F)c1 ZINC000315716315 967973732 /nfs/dbraw/zinc/97/37/32/967973732.db2.gz DJXNKGUIRSWYNX-LLVKDONJSA-N -1 0 328.771 3.730 20 0 EHADRM CC(C)C[C@H](CNC(=O)CCc1ccc([C@H]2C[C@H]2C)o1)CC(=O)[O-] ZINC000325079279 968036294 /nfs/dbraw/zinc/03/62/94/968036294.db2.gz YHJDPVSVBYLAQO-YCPHGPKFSA-N -1 0 335.444 3.589 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)Cc1c(F)cccc1Cl ZINC000391784614 968192036 /nfs/dbraw/zinc/19/20/36/968192036.db2.gz IHYVHILZNAJNLA-UHFFFAOYSA-N -1 0 347.773 3.699 20 0 EHADRM Cc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000392042134 968194776 /nfs/dbraw/zinc/19/47/76/968194776.db2.gz POPIRFKSYZIXNP-UHFFFAOYSA-N -1 0 329.312 3.554 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2sc3ccccc3c2Cl)C1 ZINC000398837584 968280433 /nfs/dbraw/zinc/28/04/33/968280433.db2.gz NSDGYNGGTNCJGU-NXEZZACHSA-N -1 0 337.828 3.738 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000432130104 968373226 /nfs/dbraw/zinc/37/32/26/968373226.db2.gz PIGVCEDOHYWLLO-MENFKHAKSA-N -1 0 335.403 3.632 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000432130106 968373580 /nfs/dbraw/zinc/37/35/80/968373580.db2.gz PIGVCEDOHYWLLO-SQVRQVGWSA-N -1 0 335.403 3.632 20 0 EHADRM Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)[C@@H](C(=O)[O-])C(C)C ZINC000578656498 968467389 /nfs/dbraw/zinc/46/73/89/968467389.db2.gz YZYCQTWKRSYZNA-FZMZJTMJSA-N -1 0 346.452 3.653 20 0 EHADRM CCc1ccc([C@H](NC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)C(C)C)cc1 ZINC000626745564 968514757 /nfs/dbraw/zinc/51/47/57/968514757.db2.gz VVXJPBCOLSVQPC-FHLIZLRMSA-N -1 0 346.471 3.698 20 0 EHADRM CSc1ccsc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653334854 968665842 /nfs/dbraw/zinc/66/58/42/968665842.db2.gz INSSHNWPWUNABT-NEPJUHHUSA-N -1 0 333.434 3.513 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000653341454 968667496 /nfs/dbraw/zinc/66/74/96/968667496.db2.gz FABJNPZUCMQQMF-ZWNOBZJWSA-N -1 0 331.334 3.521 20 0 EHADRM O=C([O-])CN(C(=O)c1cccc(Oc2ccccc2)c1)C1CCC1 ZINC000655596431 968690629 /nfs/dbraw/zinc/69/06/29/968690629.db2.gz FWTVLKXSAVZMHH-UHFFFAOYSA-N -1 0 325.364 3.558 20 0 EHADRM C[C@@H](NC(=O)N1CCCC12CCCCC2)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655901521 968710945 /nfs/dbraw/zinc/71/09/45/968710945.db2.gz KBUKTYPKOARORR-QLFBSQMISA-N -1 0 336.476 3.630 20 0 EHADRM CCN(C(=O)c1cc(-c2ccc(OC)cc2)c(C)s1)[C@H](C)C(=O)[O-] ZINC000659774640 968748313 /nfs/dbraw/zinc/74/83/13/968748313.db2.gz JFWJUVJOSQSWGL-LLVKDONJSA-N -1 0 347.436 3.667 20 0 EHADRM Cc1sc(NC(=O)[C@]2(C(=O)[O-])CC2(C)C)nc1-c1ccccc1 ZINC000663079439 968789462 /nfs/dbraw/zinc/78/94/62/968789462.db2.gz IUVQAQGYZIWLAK-KRWDZBQOSA-N -1 0 330.409 3.558 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000663089744 968797124 /nfs/dbraw/zinc/79/71/24/968797124.db2.gz AEYDUEWLUZOVGH-LJQANCHMSA-N -1 0 331.412 3.585 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)[C@H]2CC23CCCC3)CC1 ZINC000682187944 968870218 /nfs/dbraw/zinc/87/02/18/968870218.db2.gz OXGGFOLGCJDZPS-QGZVFWFLSA-N -1 0 327.424 3.671 20 0 EHADRM CC[C@H](C)[C@H](Nc1nc(-c2cccnc2)nc2ccccc21)C(=O)[O-] ZINC000841490717 969221958 /nfs/dbraw/zinc/22/19/58/969221958.db2.gz IBLXEPXPKVGMRV-LRDDRELGSA-N -1 0 336.395 3.603 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(SC(F)F)cc2)CC[C@@H]1C(=O)[O-] ZINC000864586093 969330821 /nfs/dbraw/zinc/33/08/21/969330821.db2.gz OVZZJTCYKSUXIC-SKDRFNHKSA-N -1 0 344.383 3.576 20 0 EHADRM Cc1cc2c(CC(=O)N3CCC[C@H](CC(=O)[O-])C3)csc2s1 ZINC000868435374 969336774 /nfs/dbraw/zinc/33/67/74/969336774.db2.gz XBRSGUSRBPUCTE-LLVKDONJSA-N -1 0 337.466 3.527 20 0 EHADRM Cc1ccc(-c2ccc(C)c(NC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)c2)o1 ZINC000871655641 969349338 /nfs/dbraw/zinc/34/93/38/969349338.db2.gz FBRLHQOWVCMFGK-HDJSIYSDSA-N -1 0 328.368 3.548 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)Nc2ccc([C@@H](F)C(F)(F)F)cc2)C1 ZINC000887394219 969411684 /nfs/dbraw/zinc/41/16/84/969411684.db2.gz IMDACQRDYZWZND-RISCZKNCSA-N -1 0 348.296 3.588 20 0 EHADRM Cc1nc(-c2ccc(C(=O)NC(C)(C)CCC(=O)[O-])s2)cs1 ZINC000901449315 969430354 /nfs/dbraw/zinc/43/03/54/969430354.db2.gz PHXUHHXYQWVFHB-UHFFFAOYSA-N -1 0 338.454 3.553 20 0 EHADRM Cc1ccc([C@H](NC(=O)c2coc(/C=C/C(=O)[O-])c2)C2CC2)cc1 ZINC000901584307 969443097 /nfs/dbraw/zinc/44/30/97/969443097.db2.gz FCQGLQUNLKNTKH-BLGFXRMMSA-N -1 0 325.364 3.567 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N2CCC(c3ccccc3F)CC2)o1 ZINC000901776252 969473324 /nfs/dbraw/zinc/47/33/24/969473324.db2.gz UZHUDAAVPZQZKC-SOFGYWHQSA-N -1 0 343.354 3.536 20 0 EHADRM C[C@@H](NC(=O)C1(C(=O)[O-])CCSCC1)c1cccc2ccccc21 ZINC000901799274 969476836 /nfs/dbraw/zinc/47/68/36/969476836.db2.gz QEADSGYWVHSOMN-CYBMUJFWSA-N -1 0 343.448 3.615 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2c(F)cc(Cl)cc2F)C1 ZINC000926085064 969656786 /nfs/dbraw/zinc/65/67/86/969656786.db2.gz QFUFFUALNRPLNB-HNNXBMFYSA-N -1 0 346.761 3.727 20 0 EHADRM Cc1ccc(F)c(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)c1F ZINC000317842825 970390897 /nfs/dbraw/zinc/39/08/97/970390897.db2.gz XUHOZVRXRJDBIV-UHFFFAOYSA-N -1 0 325.698 3.877 20 0 EHADRM O=C([O-])c1cccc(COc2cc(Cl)c(Cl)cc2[N+](=O)[O-])n1 ZINC000317972391 970400061 /nfs/dbraw/zinc/40/00/61/970400061.db2.gz OXBWATBAAKBMIM-UHFFFAOYSA-N -1 0 343.122 3.574 20 0 EHADRM CCCC[C@H](CCC)NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000318739939 970466629 /nfs/dbraw/zinc/46/66/29/970466629.db2.gz OHRRBUXJPQLUTC-NSHDSACASA-N -1 0 347.864 3.675 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cccc3cccnc32)ccc1Cl ZINC000319654995 970558296 /nfs/dbraw/zinc/55/82/96/970558296.db2.gz RUVCEHXTCXZOTD-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cccc(OC(F)F)c2)ccc1Cl ZINC000319668527 970559916 /nfs/dbraw/zinc/55/99/16/970559916.db2.gz RYYLDEWPHOZDQE-UHFFFAOYSA-N -1 0 341.697 3.892 20 0 EHADRM Cc1ccc(NC(=O)CCSc2ccccc2F)c(C(=O)[O-])c1 ZINC000319775197 970570591 /nfs/dbraw/zinc/57/05/91/970570591.db2.gz AQMRSWRPYIVKPJ-UHFFFAOYSA-N -1 0 333.384 3.953 20 0 EHADRM O=C([O-])c1cccc(OCCOc2ccc(C(F)(F)F)cc2)c1 ZINC000319915284 970590295 /nfs/dbraw/zinc/59/02/95/970590295.db2.gz ZBBOGJIEGWQOFA-UHFFFAOYSA-N -1 0 326.270 3.861 20 0 EHADRM CCCc1sc(C(=O)NCc2cccc(C(=O)[O-])c2)cc1CC ZINC000319944631 970592837 /nfs/dbraw/zinc/59/28/37/970592837.db2.gz FJDLVBLFQDHKOO-UHFFFAOYSA-N -1 0 331.437 3.891 20 0 EHADRM Cc1cc(=O)oc2cc(Oc3ncc(C(=O)[O-])cc3Cl)ccc12 ZINC000320022886 970603322 /nfs/dbraw/zinc/60/33/22/970603322.db2.gz OUZGRGOHXUMEDJ-UHFFFAOYSA-N -1 0 331.711 3.640 20 0 EHADRM CN(C(=O)CSc1ccc(Cl)cc1)C1(C(=O)[O-])CCCCC1 ZINC000320230505 970634528 /nfs/dbraw/zinc/63/45/28/970634528.db2.gz UMECUYXGSGOONN-UHFFFAOYSA-N -1 0 341.860 3.678 20 0 EHADRM O=C([O-])c1ccc(-c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 ZINC000320319753 970648834 /nfs/dbraw/zinc/64/88/34/970648834.db2.gz FALRAIKYJJTFGY-UHFFFAOYSA-N -1 0 325.345 3.904 20 0 EHADRM CCCN(C[C@H]1CCCCO1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001610251618 970706947 /nfs/dbraw/zinc/70/69/47/970706947.db2.gz PNVNGNFAUNOVSC-QGZVFWFLSA-N -1 0 348.443 3.517 20 0 EHADRM CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000320780292 970714298 /nfs/dbraw/zinc/71/42/98/970714298.db2.gz HUPDSPHSECDQPS-NOZJJQNGSA-N -1 0 326.343 3.753 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCc2cncc3ccccc32)c(F)c1 ZINC001610660759 970758826 /nfs/dbraw/zinc/75/88/26/970758826.db2.gz IQIURNLBNSDGGA-UHFFFAOYSA-N -1 0 338.338 3.643 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N(C)c2ccccc2Br)c1 ZINC001600107507 970759533 /nfs/dbraw/zinc/75/95/33/970759533.db2.gz VYTALVOZIYFNCQ-UHFFFAOYSA-N -1 0 348.196 3.732 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N(Cc2cccc(F)c2)C2CC2)c1 ZINC001600107509 970759802 /nfs/dbraw/zinc/75/98/02/970759802.db2.gz WBLLMHBGFMBPBH-UHFFFAOYSA-N -1 0 327.355 3.637 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCc3ccc(F)cc3[C@H](C)C2)c1 ZINC001600108529 970761717 /nfs/dbraw/zinc/76/17/17/970761717.db2.gz ZGFYPPIUSDILAJ-CYBMUJFWSA-N -1 0 341.382 3.634 20 0 EHADRM CSCc1ccc(CNC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC001604958175 972536275 /nfs/dbraw/zinc/53/62/75/972536275.db2.gz FTWZVEFASZULLS-UHFFFAOYSA-N -1 0 330.409 3.570 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)c2ccccc12 ZINC000392950947 972546520 /nfs/dbraw/zinc/54/65/20/972546520.db2.gz DBSQFSGXAHDTKD-IGNZVWTISA-N -1 0 341.382 3.837 20 0 EHADRM C[C@@H](C1CCCCC1)N(C)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001604979163 972571203 /nfs/dbraw/zinc/57/12/03/972571203.db2.gz QJKOWAOMWUJEOG-YWZLYKJASA-N -1 0 346.471 3.639 20 0 EHADRM CC(C)(C)C1CCC(CNC(=O)N2CCC(C)(C(=O)[O-])CC2)CC1 ZINC001603301946 972584022 /nfs/dbraw/zinc/58/40/22/972584022.db2.gz VIMWDOYUDZCZMI-UHFFFAOYSA-N -1 0 338.492 3.735 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)[C@@H]2CCC[C@@H]21 ZINC000393505536 972607184 /nfs/dbraw/zinc/60/71/84/972607184.db2.gz HKXKZNIWLMSOTR-JOYOIKCWSA-N -1 0 338.354 3.705 20 0 EHADRM CN(Cc1c(F)cccc1F)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001604181443 972609180 /nfs/dbraw/zinc/60/91/80/972609180.db2.gz PVGBUOIXYVJHPE-UHFFFAOYSA-N -1 0 348.349 3.646 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)N[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC001605867313 972626712 /nfs/dbraw/zinc/62/67/12/972626712.db2.gz VMWRVZRJJOMDEA-XYPYZODXSA-N -1 0 345.786 3.501 20 0 EHADRM CC1(C)CC[C@H](C(=O)Nc2cc(C(=O)[O-])n[nH]2)[C@H](c2ccccc2)C1 ZINC001603327088 972673443 /nfs/dbraw/zinc/67/34/43/972673443.db2.gz GDFVAFRKUABXKA-KBPBESRZSA-N -1 0 341.411 3.657 20 0 EHADRM CC1(C)CCCC[C@@H]1NC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001603328719 972681077 /nfs/dbraw/zinc/68/10/77/972681077.db2.gz BQDLSYHGXVAANI-XHSDSOJGSA-N -1 0 330.428 3.568 20 0 EHADRM C[C@@H]1[C@H](C(=O)N2CCCc3cc(C(=O)[O-])ccc32)[C@H]1c1ccccc1 ZINC001603354197 972787954 /nfs/dbraw/zinc/78/79/54/972787954.db2.gz GJJLPOGEFNFABI-BKTGTZMESA-N -1 0 335.403 3.714 20 0 EHADRM C[C@@H]1[C@@H](C(=O)N2CCCc3cc(C(=O)[O-])ccc32)[C@@H]1c1ccccc1 ZINC001603354199 972788346 /nfs/dbraw/zinc/78/83/46/972788346.db2.gz GJJLPOGEFNFABI-FASAQXTFSA-N -1 0 335.403 3.714 20 0 EHADRM C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001603355857 972808319 /nfs/dbraw/zinc/80/83/19/972808319.db2.gz UKWVXOZDRSPNRE-WCBMZHEXSA-N -1 0 348.296 3.719 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000396350546 972862371 /nfs/dbraw/zinc/86/23/71/972862371.db2.gz DVRGGYAAYFVGJA-JTQLQIEISA-N -1 0 348.196 3.890 20 0 EHADRM CS[C@@H]1CCC[C@H](NC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)C1 ZINC000396429840 972883019 /nfs/dbraw/zinc/88/30/19/972883019.db2.gz HXBFIMXQIHTFTI-BYCMXARLSA-N -1 0 336.457 3.670 20 0 EHADRM Cc1oc(Br)cc1C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000396464629 972896833 /nfs/dbraw/zinc/89/68/33/972896833.db2.gz FMHGLZXKRNHKGD-UHFFFAOYSA-N -1 0 338.157 3.609 20 0 EHADRM Cc1cc(F)c(C(F)(F)F)cc1NC(=O)C1(C(=O)[O-])CC=CC1 ZINC001605180411 972898867 /nfs/dbraw/zinc/89/88/67/972898867.db2.gz YRXOFQXGYRARIT-UHFFFAOYSA-N -1 0 331.265 3.512 20 0 EHADRM O=C([O-])C1(c2noc(-c3ccc(CCC(F)(F)F)cc3)n2)CCC1 ZINC001605963897 972944312 /nfs/dbraw/zinc/94/43/12/972944312.db2.gz PDKUWZIQUYSUEW-UHFFFAOYSA-N -1 0 340.301 3.738 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001603380870 972952761 /nfs/dbraw/zinc/95/27/61/972952761.db2.gz RKLFOXBMFVBKDM-IGCXYCKISA-N -1 0 339.395 3.578 20 0 EHADRM Cc1cc(OCc2ccccc2)c(C(=O)N(C)CCCC(=O)[O-])s1 ZINC001605219818 972968425 /nfs/dbraw/zinc/96/84/25/972968425.db2.gz MDBUJYQJMXHRAV-UHFFFAOYSA-N -1 0 347.436 3.572 20 0 EHADRM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21 ZINC001603383149 972975581 /nfs/dbraw/zinc/97/55/81/972975581.db2.gz OADIBGAANRCDOL-TWPTVVAISA-N -1 0 341.451 3.739 20 0 EHADRM CC(C)CSCCNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC000397183983 972976548 /nfs/dbraw/zinc/97/65/48/972976548.db2.gz KRCAUGCGBZJDRL-UHFFFAOYSA-N -1 0 332.809 3.748 20 0 EHADRM C[C@@H]1CCCC[C@H]1CC(=O)Nc1sc2c(c1C(=O)[O-])COCC2 ZINC001603399495 973046673 /nfs/dbraw/zinc/04/66/73/973046673.db2.gz IYRHJQMXDAWBJO-MNOVXSKESA-N -1 0 337.441 3.674 20 0 EHADRM C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001603416408 973114733 /nfs/dbraw/zinc/11/47/33/973114733.db2.gz OTMSBZFSIXKEIQ-SJKOYZFVSA-N -1 0 339.395 3.615 20 0 EHADRM Cc1ccc2sc(NC(=O)[C@]3(C(=O)[O-])CC=CCC3)nc2c1C ZINC001605314831 973143467 /nfs/dbraw/zinc/14/34/67/973143467.db2.gz LOIUWLQBQCBUBG-KRWDZBQOSA-N -1 0 330.409 3.663 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)Nc2cscc2Cl)Cc2ccccc21 ZINC001606041829 973148203 /nfs/dbraw/zinc/14/82/03/973148203.db2.gz YXFPZPIUXVAOSL-NSHDSACASA-N -1 0 336.800 3.617 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)C1CC(OCc2ccccc2)C1 ZINC001605320179 973152526 /nfs/dbraw/zinc/15/25/26/973152526.db2.gz BNBRWFHRQPVHIU-UHFFFAOYSA-N -1 0 339.391 3.627 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(-c3cccc(F)c3)s2)C[C@H]1C(=O)[O-] ZINC001603425791 973152551 /nfs/dbraw/zinc/15/25/51/973152551.db2.gz USDMQEOLJJXEIV-SMDDNHRTSA-N -1 0 347.411 3.737 20 0 EHADRM O=C([O-])[C@@H]1CN(c2nc3ccc(F)cc3s2)Cc2ccccc21 ZINC001606048764 973157443 /nfs/dbraw/zinc/15/74/43/973157443.db2.gz OXUPTRRLISHLKH-CYBMUJFWSA-N -1 0 328.368 3.624 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC001605320698 973157529 /nfs/dbraw/zinc/15/75/29/973157529.db2.gz YHYSNXUXMMKJPM-OCCSQVGLSA-N -1 0 331.318 3.714 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1cnc2onc(C(C)C)c2c1 ZINC001605321353 973158722 /nfs/dbraw/zinc/15/87/22/973158722.db2.gz HQHWMANLVSWCIB-UHFFFAOYSA-N -1 0 339.351 3.605 20 0 EHADRM Cc1cccc([C@@H](NC(=O)Nc2cc(F)cc(Cl)c2)C(=O)[O-])c1 ZINC001605328122 973177662 /nfs/dbraw/zinc/17/76/62/973177662.db2.gz KLRLLWJWKUTQQS-CQSZACIVSA-N -1 0 336.750 3.735 20 0 EHADRM C[C@@H]1CN(C(=O)C(C)(C)c2cccc3ccccc32)CC[C@@H]1C(=O)[O-] ZINC001603440666 973227119 /nfs/dbraw/zinc/22/71/19/973227119.db2.gz ZQTIYDVRMDKCRO-ZBFHGGJFSA-N -1 0 339.435 3.687 20 0 EHADRM C[C@@H]1CN(C(=O)NC[C@@H]2CCCC[C@H]2C(C)(C)C)CC[C@H]1C(=O)[O-] ZINC001603450220 973248957 /nfs/dbraw/zinc/24/89/57/973248957.db2.gz PPZHPEPDHAOCLQ-QKPAOTATSA-N -1 0 338.492 3.591 20 0 EHADRM O=C([O-])CCC(=O)Nc1ccccc1NCCCc1ccccc1 ZINC001606101633 973279148 /nfs/dbraw/zinc/27/91/48/973279148.db2.gz FLOMJUMHVZXOAI-UHFFFAOYSA-N -1 0 326.396 3.535 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)C(C)(C)C ZINC001605360701 973296676 /nfs/dbraw/zinc/29/66/76/973296676.db2.gz YYMPQMNJDBNMFK-MRXNPFEDSA-N -1 0 326.396 3.605 20 0 EHADRM O=C([O-])CCCCC(=O)Oc1cc(Cl)cc(Br)c1 ZINC001606146407 973403731 /nfs/dbraw/zinc/40/37/31/973403731.db2.gz XICPTRWCEJFNBI-UHFFFAOYSA-N -1 0 335.581 3.653 20 0 EHADRM O=C([O-])CCCNC(=O)c1ccccc1NCCC1=CCCCC1 ZINC001606179523 973428070 /nfs/dbraw/zinc/42/80/70/973428070.db2.gz XITKPWLJPJDQEU-UHFFFAOYSA-N -1 0 330.428 3.584 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)C(=O)c1cc(F)c(Oc2ccccc2)c(F)c1 ZINC001603492858 973444042 /nfs/dbraw/zinc/44/40/42/973444042.db2.gz VDQYTIKNUNAACL-OAHLLOKOSA-N -1 0 349.333 3.692 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)N[C@H]2CSc3ccccc32)c1 ZINC001606209967 973454575 /nfs/dbraw/zinc/45/45/75/973454575.db2.gz FMYFAXSUGFIYAK-HNNXBMFYSA-N -1 0 342.420 3.672 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cn(C)nc2-c2ccccc2)cc1C ZINC000538010902 1032082337 /nfs/dbraw/zinc/08/23/37/1032082337.db2.gz RZLNHSAANARRQT-UHFFFAOYSA-N -1 0 341.436 3.505 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)sc1C ZINC000538010558 1032082470 /nfs/dbraw/zinc/08/24/70/1032082470.db2.gz JITRLRVSLBXQTJ-UHFFFAOYSA-N -1 0 337.466 3.955 20 0 EHADRM CCC(CC)(CNC(=O)N[C@H]1CCCc2c(C)cccc21)C(=O)[O-] ZINC001603535197 973587044 /nfs/dbraw/zinc/58/70/44/973587044.db2.gz HXYBNYHMQADKPQ-INIZCTEOSA-N -1 0 332.444 3.563 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)Nc2ccnc(C(=O)[O-])c2)cc1 ZINC001603544972 973603502 /nfs/dbraw/zinc/60/35/02/973603502.db2.gz UIWUYFRACPLPKX-UHFFFAOYSA-N -1 0 328.368 3.600 20 0 EHADRM O=C([O-])COc1cccc(C(=O)O[C@H]2CCc3cc(Cl)ccc32)c1 ZINC001606291727 973698125 /nfs/dbraw/zinc/69/81/25/973698125.db2.gz YVIQVAIFTUAVCH-INIZCTEOSA-N -1 0 346.766 3.648 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2ncsc2-c2ccccc2)c1 ZINC001606312454 973727994 /nfs/dbraw/zinc/72/79/94/973727994.db2.gz RKIJLZATTNKODG-UHFFFAOYSA-N -1 0 338.388 3.690 20 0 EHADRM CC[C@@H](NC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)C1CCCCC1 ZINC001603582923 973747546 /nfs/dbraw/zinc/74/75/46/973747546.db2.gz UFHHKCUVBYIVAJ-YLJYHZDGSA-N -1 0 346.471 3.687 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)/C=C/c1cc(Cl)cc(Cl)c1)CC1CC1 ZINC000405259863 973805981 /nfs/dbraw/zinc/80/59/81/973805981.db2.gz MQPAHMUIYHUGBV-AAOUONPWSA-N -1 0 342.222 3.624 20 0 EHADRM CC[C@@H](OC(=O)c1coc(/C=C/C(=O)[O-])c1)c1cccc(OC)c1 ZINC001603594017 973815753 /nfs/dbraw/zinc/81/57/53/973815753.db2.gz VCTDVNUODMABMS-KXPUMZMLSA-N -1 0 330.336 3.694 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C2(c3cccc(F)c3)CCCC2)C1 ZINC001603594112 973816780 /nfs/dbraw/zinc/81/67/80/973816780.db2.gz PFHHIWXJAWCZTD-IBGZPJMESA-N -1 0 347.430 3.741 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1 ZINC000107946720 1014142577 /nfs/dbraw/zinc/14/25/77/1014142577.db2.gz BGMSIGLDRNMMMX-MCMMXHMISA-N -1 0 335.856 3.633 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@H]2CCCc3sccc32)c1 ZINC000414454967 973940196 /nfs/dbraw/zinc/94/01/96/973940196.db2.gz SAXSWWZBKKQVLI-NHYWBVRUSA-N -1 0 329.421 3.995 20 0 EHADRM CC(C)[C@H](NC(=O)NCCCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000414591216 973941037 /nfs/dbraw/zinc/94/10/37/973941037.db2.gz AZJQWMUNXFEOEE-INIZCTEOSA-N -1 0 340.851 3.981 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CC3(CCCC3)[C@H]2c2ccco2)ccn1 ZINC001606466345 973942330 /nfs/dbraw/zinc/94/23/30/973942330.db2.gz RFSJTAPZPRGPGT-OAHLLOKOSA-N -1 0 341.367 3.522 20 0 EHADRM CCCCCCCCC(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000120070496 1014154238 /nfs/dbraw/zinc/15/42/38/1014154238.db2.gz VICPISTYWNGDOK-UHFFFAOYSA-N -1 0 337.894 3.957 20 0 EHADRM CCC[C@]1(COC)CCCN1C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001603636589 973976548 /nfs/dbraw/zinc/97/65/48/973976548.db2.gz ZGDUABPNNLASBQ-GOSISDBHSA-N -1 0 334.416 3.506 20 0 EHADRM CCC[C@@]1(COC)CCCN1C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001603636607 973977181 /nfs/dbraw/zinc/97/71/81/973977181.db2.gz ZGDUABPNNLASBQ-SFHVURJKSA-N -1 0 334.416 3.506 20 0 EHADRM CCCCN(CC)c1ccc(C(=O)N[C@H](CC(C)C)C(=O)[O-])cc1 ZINC001603647397 974005112 /nfs/dbraw/zinc/00/51/12/974005112.db2.gz KUVHKVFXXBNSCO-QGZVFWFLSA-N -1 0 334.460 3.542 20 0 EHADRM CCCCN(CC)c1ccc(C(=O)Nc2ccc(C(=O)[O-])cn2)cc1 ZINC001603647395 974005488 /nfs/dbraw/zinc/00/54/88/974005488.db2.gz KTJIQWORJDPKQK-UHFFFAOYSA-N -1 0 341.411 3.659 20 0 EHADRM O=C([O-])c1ccoc1CSc1ccccc1C(=O)N[C@H]1CC12CC2 ZINC000425258729 974043256 /nfs/dbraw/zinc/04/32/56/974043256.db2.gz RKKPJBDLRRSBJS-HNNXBMFYSA-N -1 0 343.404 3.552 20 0 EHADRM O=C([O-])c1ccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2F)cc1 ZINC000426684049 974044757 /nfs/dbraw/zinc/04/47/57/974044757.db2.gz WWXHYACNYWZNPM-UHFFFAOYSA-N -1 0 327.277 3.833 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)c1cc2c(s1)-c1ccccc1C(C)(C)C2 ZINC000427732853 974057672 /nfs/dbraw/zinc/05/76/72/974057672.db2.gz YMWNJQFLEDJCBF-NSHDSACASA-N -1 0 343.448 3.842 20 0 EHADRM Cc1cc(C)cc(CCC(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000431446913 974064281 /nfs/dbraw/zinc/06/42/81/974064281.db2.gz STBPTBVTSWXGQY-IBGZPJMESA-N -1 0 339.435 3.958 20 0 EHADRM CC(C)c1cccc(-c2ccc(C(=O)N(CC(=O)[O-])C3CC3)o2)c1 ZINC000431459584 974065083 /nfs/dbraw/zinc/06/50/83/974065083.db2.gz OEPSZQZJAWLCGA-UHFFFAOYSA-N -1 0 327.380 3.759 20 0 EHADRM Cc1cc(C)c(CC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c(C)c1 ZINC000431654639 974071463 /nfs/dbraw/zinc/07/14/63/974071463.db2.gz ROPQGJNZHAWAFF-OXQOHEQNSA-N -1 0 339.435 3.733 20 0 EHADRM O=C([O-])[C@@H](NC(=O)C[C@@H]1CCCc2ccccc21)c1ccc(F)cc1 ZINC001605670066 974079401 /nfs/dbraw/zinc/07/94/01/974079401.db2.gz FJVPBTBCPMPEAX-KXBFYZLASA-N -1 0 341.382 3.578 20 0 EHADRM C[C@]1(NC(=O)c2cc(Cl)cc(Cl)c2)CCCC[C@H]1C(=O)[O-] ZINC000432102404 974086578 /nfs/dbraw/zinc/08/65/78/974086578.db2.gz JWPBVUFGYRHFDO-WFASDCNBSA-N -1 0 330.211 3.757 20 0 EHADRM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000432100928 974086594 /nfs/dbraw/zinc/08/65/94/974086594.db2.gz WGOAEALNINIKJE-DIFFPNOSSA-N -1 0 327.355 3.577 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N[C@@]3(C)CCCC[C@@H]3C(=O)[O-])cc2c1C ZINC000432123603 974089821 /nfs/dbraw/zinc/08/98/21/974089821.db2.gz VPYDNTFHLFTQRK-KUHUBIRLSA-N -1 0 328.412 3.548 20 0 EHADRM Cc1ccc(SCC(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])c(C)c1 ZINC000432124966 974090095 /nfs/dbraw/zinc/09/00/95/974090095.db2.gz DUPVJWALWBSPKU-KDOFPFPSSA-N -1 0 335.469 3.545 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000439701836 974108855 /nfs/dbraw/zinc/10/88/55/974108855.db2.gz YPHGZSASLXNLAJ-ZDUSSCGKSA-N -1 0 337.375 3.859 20 0 EHADRM Cc1ccccc1CCC(=O)N[C@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC000448996482 974135569 /nfs/dbraw/zinc/13/55/69/974135569.db2.gz ROSHYSRWAHZWFN-HXUWFJFHSA-N -1 0 343.398 3.573 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)NCc1c(Cl)cccc1Cl ZINC001605716109 974151066 /nfs/dbraw/zinc/15/10/66/974151066.db2.gz YLMSZUFYJGXYDY-UHFFFAOYSA-N -1 0 338.190 3.551 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)CCCn1ccc2cc(Cl)ccc21 ZINC000455859571 974154634 /nfs/dbraw/zinc/15/46/34/974154634.db2.gz ANMUNYZRLGALTH-OAHLLOKOSA-N -1 0 348.830 3.541 20 0 EHADRM CC(C)(C)c1ccc(CCCC(=O)N2CCC[C@H]2CC(=O)[O-])cc1 ZINC000455867331 974156041 /nfs/dbraw/zinc/15/60/41/974156041.db2.gz IEEGVDVYMWOJIF-KRWDZBQOSA-N -1 0 331.456 3.773 20 0 EHADRM Cc1cc(C)c(C(=O)N[C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)o1 ZINC000455925126 974170190 /nfs/dbraw/zinc/17/01/90/974170190.db2.gz KMSLUERMMZJPMM-ZDUSSCGKSA-N -1 0 341.285 3.628 20 0 EHADRM O=C([O-])c1cc(Br)cc(C(=O)NC2CCCCCC2)c1 ZINC000462899279 974187364 /nfs/dbraw/zinc/18/73/64/974187364.db2.gz XOXZHHYMNNZHTR-UHFFFAOYSA-N -1 0 340.217 3.600 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(-c3nccs3)c2)c(F)c1 ZINC000478840231 974210444 /nfs/dbraw/zinc/21/04/44/974210444.db2.gz XDQNUGLMGKHNHH-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000485743395 974235993 /nfs/dbraw/zinc/23/59/93/974235993.db2.gz RDCJXZZOGJNTGY-UHFFFAOYSA-N -1 0 346.254 3.885 20 0 EHADRM Cc1cc([C@H](C)N2CCO[C@H](c3ccc(F)c(C)c3)C2)oc1C(=O)[O-] ZINC000516481711 974306457 /nfs/dbraw/zinc/30/64/57/974306457.db2.gz LDCBFBHWAHDWJE-GUYCJALGSA-N -1 0 347.386 3.868 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1csc(Cc2ccccc2)n1)C1CCC1 ZINC000517965403 974321228 /nfs/dbraw/zinc/32/12/28/974321228.db2.gz MMFCWZAUEYPUSF-CYBMUJFWSA-N -1 0 330.453 3.562 20 0 EHADRM O=C([O-])[C@@H](c1ccccc1)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000519613565 974331834 /nfs/dbraw/zinc/33/18/34/974331834.db2.gz YNRGFSOQMTWIFH-IAGOWNOFSA-N -1 0 331.799 3.539 20 0 EHADRM C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1Cc1ccc(C(=O)[O-])o1 ZINC000521633991 974345839 /nfs/dbraw/zinc/34/58/39/974345839.db2.gz HJTOIRCZAWQWKS-ZBEGNZNMSA-N -1 0 335.787 3.593 20 0 EHADRM CCOc1ccc(C[C@@H](C)C(=O)Nc2sccc2C(=O)[O-])cc1 ZINC001603861138 974364326 /nfs/dbraw/zinc/36/43/26/974364326.db2.gz NNZFKNUYZVWGIS-LLVKDONJSA-N -1 0 333.409 3.662 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000537475160 974384259 /nfs/dbraw/zinc/38/42/59/974384259.db2.gz WAMAHVLTJYPJEE-UHFFFAOYSA-N -1 0 337.297 3.975 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)[C@@H]3COc4ccccc43)ccc2s1 ZINC000537626035 974386548 /nfs/dbraw/zinc/38/65/48/974386548.db2.gz DGUXQYWHJNAPIS-CYBMUJFWSA-N -1 0 339.372 3.714 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@@H](c1cccc(Cl)c1)C(C)C)C(=O)[O-] ZINC000538503733 974388691 /nfs/dbraw/zinc/38/86/91/974388691.db2.gz IFKOVPNXBUSVDQ-GDBMZVCRSA-N -1 0 339.863 3.943 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@H](c1cccc(Cl)c1)C(C)C)C(=O)[O-] ZINC000538503736 974389142 /nfs/dbraw/zinc/38/91/42/974389142.db2.gz IFKOVPNXBUSVDQ-ZBFHGGJFSA-N -1 0 339.863 3.943 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000539677726 974400031 /nfs/dbraw/zinc/40/00/31/974400031.db2.gz JVKJHSFKVXCYQR-LJQANCHMSA-N -1 0 339.435 3.558 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)CC1CCCCCC1)Cc1cccc(F)c1 ZINC000540669443 974404243 /nfs/dbraw/zinc/40/42/43/974404243.db2.gz IMZRDSFJZFLWGV-MRXNPFEDSA-N -1 0 335.419 3.546 20 0 EHADRM CC[C@@H](NC(=O)Nc1cccc(OCc2ccccc2C)c1)C(=O)[O-] ZINC001603906967 974410062 /nfs/dbraw/zinc/41/00/62/974410062.db2.gz YNWOUENBHABDNB-QGZVFWFLSA-N -1 0 342.395 3.559 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(Br)cc1C(C)C)C(=O)[O-] ZINC001603951721 974431222 /nfs/dbraw/zinc/43/12/22/974431222.db2.gz RCVSWCXXJTXUKA-NSHDSACASA-N -1 0 343.221 3.557 20 0 EHADRM CCc1onc(C)c1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001603998027 974501481 /nfs/dbraw/zinc/50/14/81/974501481.db2.gz PKXCDPYOUMIADA-UHFFFAOYSA-N -1 0 341.726 3.680 20 0 EHADRM CCc1oc2ccccc2c1CC(=O)NCC(CC)(CC)C(=O)[O-] ZINC001603998387 974503330 /nfs/dbraw/zinc/50/33/30/974503330.db2.gz WZNYMSZAUAGCTG-UHFFFAOYSA-N -1 0 331.412 3.545 20 0 EHADRM Cc1ccc([C@@H]2COCCN2Cc2cc(C(=O)[O-])ccc2Cl)o1 ZINC000563280377 974525964 /nfs/dbraw/zinc/52/59/64/974525964.db2.gz ROVWUQVDIIHJAT-HNNXBMFYSA-N -1 0 335.787 3.513 20 0 EHADRM CCOc1cccc2cc([C@@H](C)NC(=O)C[C@H](C)CC(=O)[O-])oc21 ZINC000563422942 974530930 /nfs/dbraw/zinc/53/09/30/974530930.db2.gz IWVALYFNTSNCQF-NWDGAFQWSA-N -1 0 333.384 3.510 20 0 EHADRM Cc1cc(C(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)ccc1Cl ZINC000565032166 974561564 /nfs/dbraw/zinc/56/15/64/974561564.db2.gz SLCVDMRUUSHIBX-UHFFFAOYSA-N -1 0 344.798 3.549 20 0 EHADRM O=C([O-])[C@@]1(C(F)(F)F)CCN(c2ncc(-c3ccccc3)s2)C1 ZINC000565042370 974565733 /nfs/dbraw/zinc/56/57/33/974565733.db2.gz YIDCCSGHUXSVAN-CQSZACIVSA-N -1 0 342.342 3.654 20 0 EHADRM C[C@H](Nc1cncc(OC2CCCCC2)n1)c1ncc(C(=O)[O-])s1 ZINC000565041593 974565754 /nfs/dbraw/zinc/56/57/54/974565754.db2.gz QGIYXWOKMQWTFQ-JTQLQIEISA-N -1 0 348.428 3.516 20 0 EHADRM O=C([O-])Cc1cccc(-c2cc(F)ccc2OC[C@@H]2CCCO2)c1 ZINC000566926500 974624675 /nfs/dbraw/zinc/62/46/75/974624675.db2.gz MPLOHOQLHOCGQU-INIZCTEOSA-N -1 0 330.355 3.678 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1cc(Cl)cc2cccnc21 ZINC000567572195 974637000 /nfs/dbraw/zinc/63/70/00/974637000.db2.gz HJEYPXOKQYBDOE-UHFFFAOYSA-N -1 0 335.791 3.655 20 0 EHADRM C[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(Cl)c2)C[C@@H](c2ccccc2)O1 ZINC000568061977 974658357 /nfs/dbraw/zinc/65/83/57/974658357.db2.gz YUSSFBZPQJBMHL-JEBQAFNWSA-N -1 0 345.826 3.928 20 0 EHADRM C[C@](CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)(C(=O)[O-])c1ccccc1 ZINC000568436793 974671535 /nfs/dbraw/zinc/67/15/35/974671535.db2.gz DJFSRBFGQDNDQO-BIZBXSGISA-N -1 0 343.467 3.752 20 0 EHADRM C[C@H](CCNC(=O)C[C@H](C)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000568664182 974676868 /nfs/dbraw/zinc/67/68/68/974676868.db2.gz MRMRVJKMXYRLAQ-NWDGAFQWSA-N -1 0 345.361 3.816 20 0 EHADRM Cc1nc(C(C)C)sc1[C@@H](C)N(C)Cc1nc(C(=O)[O-])cs1 ZINC000569130130 974685839 /nfs/dbraw/zinc/68/58/39/974685839.db2.gz UFJJYGQVZRLEHI-SNVBAGLBSA-N -1 0 339.486 3.923 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000570970577 974720786 /nfs/dbraw/zinc/72/07/86/974720786.db2.gz XCGOVELBPZUHII-IBGZPJMESA-N -1 0 343.810 3.517 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N(CCc1ccc(F)cc1)C1CCCC1 ZINC000572975167 974757698 /nfs/dbraw/zinc/75/76/98/974757698.db2.gz NELTWCTYPAFEEP-CQSZACIVSA-N -1 0 335.419 3.640 20 0 EHADRM Cc1ccccc1[C@@H](C(=O)[O-])N(C)Cc1nc(C(F)(F)F)cs1 ZINC000573499638 974766343 /nfs/dbraw/zinc/76/63/43/974766343.db2.gz KNSGPDZAMFCVJC-ZDUSSCGKSA-N -1 0 344.358 3.728 20 0 EHADRM Cc1ccc(CC(=O)[O-])cc1-c1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000574927804 974792105 /nfs/dbraw/zinc/79/21/05/974792105.db2.gz XQNKRYJBSYXING-INIZCTEOSA-N -1 0 344.382 3.986 20 0 EHADRM C[C@H](c1ccc(Oc2ccccc2)cc1)N1CCO[C@H](CC(=O)[O-])C1 ZINC000576233336 974810534 /nfs/dbraw/zinc/81/05/34/974810534.db2.gz WLHZCTWFOCLWLP-DNVCBOLYSA-N -1 0 341.407 3.715 20 0 EHADRM CCC(CC)n1nc(C(=O)NCC2(CC(=O)[O-])CCCCC2)cc1C ZINC000577333714 974834228 /nfs/dbraw/zinc/83/42/28/974834228.db2.gz VWYIQVBRFQOQDM-UHFFFAOYSA-N -1 0 349.475 3.708 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)CCCc2ccc(F)cc2)cc1 ZINC000578244759 974851345 /nfs/dbraw/zinc/85/13/45/974851345.db2.gz JECKASHUUFLYAD-CYBMUJFWSA-N -1 0 329.371 3.975 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000581380245 974909637 /nfs/dbraw/zinc/90/96/37/974909637.db2.gz NDGYAIPOHIDLIG-CRAIPNDOSA-N -1 0 325.408 3.588 20 0 EHADRM Cc1ccccc1[C@@]1(F)CCN(C(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC000582966053 974933690 /nfs/dbraw/zinc/93/36/90/974933690.db2.gz CYQQTLOHDNLTIC-LJQANCHMSA-N -1 0 345.345 3.543 20 0 EHADRM Cc1ccccc1[C@]1(F)CCN(C(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC000582966052 974933719 /nfs/dbraw/zinc/93/37/19/974933719.db2.gz CYQQTLOHDNLTIC-IBGZPJMESA-N -1 0 345.345 3.543 20 0 EHADRM Cc1c(Cl)cccc1C(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000584612142 974956793 /nfs/dbraw/zinc/95/67/93/974956793.db2.gz LSIJFJJXSNJADV-LJQANCHMSA-N -1 0 343.810 3.517 20 0 EHADRM CCCCS[C@@H](C)C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC000600869918 975007786 /nfs/dbraw/zinc/00/77/86/975007786.db2.gz NHLABHGCPISCPY-QWRGUYRKSA-N -1 0 343.420 3.538 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccs1 ZINC000611826303 975018767 /nfs/dbraw/zinc/01/87/67/975018767.db2.gz KTAYZCOMPBIYBT-MXWKQRLJSA-N -1 0 349.374 3.749 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Cc1csc2ccccc12)c1cccs1 ZINC000611826093 975019093 /nfs/dbraw/zinc/01/90/93/975019093.db2.gz AMIMUJGXKZNREV-ZDUSSCGKSA-N -1 0 345.445 3.838 20 0 EHADRM CCCC[C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)C(C)C ZINC000621537647 975028892 /nfs/dbraw/zinc/02/88/92/975028892.db2.gz XWQQWCQQXNUGHM-OKZBNKHCSA-N -1 0 331.456 3.776 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)C1CCC(F)(F)CC1 ZINC000621589044 975046694 /nfs/dbraw/zinc/04/66/94/975046694.db2.gz MEWGVGAYKGGVMQ-GJZGRUSLSA-N -1 0 337.366 3.629 20 0 EHADRM O=C([O-])c1ccc(F)c2c1CN(c1ncccc1C(F)(F)F)CC2 ZINC000629384543 975092778 /nfs/dbraw/zinc/09/27/78/975092778.db2.gz WPSRSGYDKDJMIS-UHFFFAOYSA-N -1 0 340.276 3.500 20 0 EHADRM CC[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)cc1)C(C)(C)C ZINC000630097557 975099434 /nfs/dbraw/zinc/09/94/34/975099434.db2.gz JHVJXOVDHQULOK-ZBFHGGJFSA-N -1 0 335.444 3.790 20 0 EHADRM CCC[C@@H](C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000630100288 975101266 /nfs/dbraw/zinc/10/12/66/975101266.db2.gz GIVZYWDISPFETD-HZPDHXFCSA-N -1 0 349.858 3.937 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccsc1)c1ccccc1 ZINC000630128257 975114148 /nfs/dbraw/zinc/11/41/48/975114148.db2.gz ZGFFPIGNWBBARA-ARFHVFGLSA-N -1 0 329.421 3.574 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000630142359 975126436 /nfs/dbraw/zinc/12/64/36/975126436.db2.gz MSPAORYTJVOWFZ-QRVBRYPASA-N -1 0 337.419 3.555 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)c2coc(C(F)F)c2)cc1 ZINC000630144577 975127660 /nfs/dbraw/zinc/12/76/60/975127660.db2.gz NKNQJGGJWXJKLE-UHFFFAOYSA-N -1 0 339.294 3.713 20 0 EHADRM Cc1cc(C(=O)NCCCCc2ccc(Cl)s2)oc1C(=O)[O-] ZINC000630183425 975146310 /nfs/dbraw/zinc/14/63/10/975146310.db2.gz WFZCQCJNNXYCNO-UHFFFAOYSA-N -1 0 341.816 3.754 20 0 EHADRM CC(C)[C@@H](CC(=O)NCc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC000630233492 975180619 /nfs/dbraw/zinc/18/06/19/975180619.db2.gz WIIIUCBZEUPQFD-LJQANCHMSA-N -1 0 339.435 3.760 20 0 EHADRM Cc1cc2cc(C(=O)N3CC[C@H](C(=O)[O-])[C@@H]4CCC[C@H]43)oc2cc1C ZINC000630281493 975226098 /nfs/dbraw/zinc/22/60/98/975226098.db2.gz CGQGZEJHIDJUGJ-HRCADAONSA-N -1 0 341.407 3.765 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)cc1 ZINC000630286076 975230510 /nfs/dbraw/zinc/23/05/10/975230510.db2.gz PRICRQICYHUFIW-YESZJQIVSA-N -1 0 345.439 3.579 20 0 EHADRM Cc1cc(C(=O)N2[C@H](C)C[C@@H](c3ccccc3)[C@@H]2C)oc1C(=O)[O-] ZINC000630295999 975235773 /nfs/dbraw/zinc/23/57/73/975235773.db2.gz XCJNYWBNWNLJBW-VNHYZAJKSA-N -1 0 327.380 3.693 20 0 EHADRM CC(C)c1ccc([C@@H]2CCCN2C(=O)c2cc(C(=O)[O-])ccn2)cc1 ZINC000630298375 975237895 /nfs/dbraw/zinc/23/78/95/975237895.db2.gz LWXMOZLTLLWDEU-SFHVURJKSA-N -1 0 338.407 3.881 20 0 EHADRM Cc1cc(CNC(=O)[C@@H]2CCC[C@@H]2Cc2ccccc2)oc1C(=O)[O-] ZINC000630330019 975258170 /nfs/dbraw/zinc/25/81/70/975258170.db2.gz IRKXQOBNDHFGPZ-NVXWUHKLSA-N -1 0 341.407 3.561 20 0 EHADRM COc1cc(OC)c(CNc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)cc1F ZINC000630468562 975266233 /nfs/dbraw/zinc/26/62/33/975266233.db2.gz SLEWDQJYBPMKAK-LSDHHAIUSA-N -1 0 345.370 3.643 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC000647264988 975358486 /nfs/dbraw/zinc/35/84/86/975358486.db2.gz CFMAHLSGDKHSFA-HIFRSBDPSA-N -1 0 343.354 3.601 20 0 EHADRM O=C([O-])c1ccc(N2CCC([C@H](F)c3ccccc3F)CC2)nc1 ZINC000647454952 975364963 /nfs/dbraw/zinc/36/49/63/975364963.db2.gz GRLBRJYNHCELMI-KRWDZBQOSA-N -1 0 332.350 3.846 20 0 EHADRM CCCc1ccc(CCCC(=O)Nc2nc(CC(=O)[O-])cs2)cc1 ZINC000649239955 975384304 /nfs/dbraw/zinc/38/43/04/975384304.db2.gz SPGDGXDAHSRLOG-UHFFFAOYSA-N -1 0 346.452 3.684 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)NC[C@H]1CC2CCC1CC2)C(=O)[O-] ZINC000649255908 975395454 /nfs/dbraw/zinc/39/54/54/975395454.db2.gz DDFGOAIBPVEVKY-XSCHDIRWSA-N -1 0 347.480 3.808 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)C2(Cc3ccccc3Cl)CC2)CC1 ZINC000649363183 975408359 /nfs/dbraw/zinc/40/83/59/975408359.db2.gz LSMWOFNVMKYKJQ-UHFFFAOYSA-N -1 0 349.858 3.766 20 0 EHADRM CC(C)OC1(C(=O)Nc2cccc(SCCC(=O)[O-])c2)CCC1 ZINC001591692612 975504400 /nfs/dbraw/zinc/50/44/00/975504400.db2.gz HDRWWGVEGRIRTO-UHFFFAOYSA-N -1 0 337.441 3.540 20 0 EHADRM CCCN(Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)CC(F)(F)F ZINC000652396491 975520688 /nfs/dbraw/zinc/52/06/88/975520688.db2.gz CLMODHWNEWPGPS-UHFFFAOYSA-N -1 0 342.317 3.814 20 0 EHADRM CC(C)CO[C@H]1CCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000652441082 975535067 /nfs/dbraw/zinc/53/50/67/975535067.db2.gz NNARMWZRSJNKAK-GJZGRUSLSA-N -1 0 346.254 3.866 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(Cc2nc3ccccc3n2C(F)F)C1 ZINC000652495897 975556271 /nfs/dbraw/zinc/55/62/71/975556271.db2.gz FCIBXGYJSBAUIA-LBPRGKRZSA-N -1 0 337.370 3.508 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N(C)[C@@H](C)c2ccccc2)c(C)c1 ZINC000107971868 1014268688 /nfs/dbraw/zinc/26/86/88/1014268688.db2.gz XSIZZSRMWNROFK-HJPURHCSSA-N -1 0 329.465 3.631 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000653644298 975612776 /nfs/dbraw/zinc/61/27/76/975612776.db2.gz DDUYCMHYNVKNKW-MAUKXSAKSA-N -1 0 341.382 3.519 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CC=C(c2cccc3ccccc32)CC1 ZINC000656233660 975649017 /nfs/dbraw/zinc/64/90/17/975649017.db2.gz SEIIEPOQGVBHNM-OAHLLOKOSA-N -1 0 337.419 3.956 20 0 EHADRM COc1ccc2c(c1)[C@@H](C(=O)Nc1cc(C(=O)[O-])ccc1F)CCC2 ZINC000656235963 975650365 /nfs/dbraw/zinc/65/03/65/975650365.db2.gz ZJVUZBQXVXMUJB-AWEZNQCLSA-N -1 0 343.354 3.591 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C[C@@H]2OCc3ccccc32)cc1 ZINC000656235276 975650395 /nfs/dbraw/zinc/65/03/95/975650395.db2.gz FMEANVGJGBLWBD-KRWDZBQOSA-N -1 0 339.391 3.649 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)CCC2CCCCCC2)Cc2ccccc21 ZINC000656237273 975652240 /nfs/dbraw/zinc/65/22/40/975652240.db2.gz QADHJCLQQVITAL-GOSISDBHSA-N -1 0 329.440 3.948 20 0 EHADRM COCc1csc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)c1 ZINC000659123810 975724546 /nfs/dbraw/zinc/72/45/46/975724546.db2.gz BEQYEDIMGWXGCG-UHFFFAOYSA-N -1 0 349.408 3.632 20 0 EHADRM C[C@@H](CN(C)C(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)[O-] ZINC000659130054 975729287 /nfs/dbraw/zinc/72/92/87/975729287.db2.gz CMWUBJMPZRAUHL-GUYCJALGSA-N -1 0 345.826 3.651 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C1[C@H]2CCCCCC[C@H]12 ZINC000659130704 975730422 /nfs/dbraw/zinc/73/04/22/975730422.db2.gz FSSDRIJBQHAQSD-GJZGRUSLSA-N -1 0 331.412 3.613 20 0 EHADRM O=C([O-])CC1(CNC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)CCCCC1 ZINC000659143559 975743257 /nfs/dbraw/zinc/74/32/57/975743257.db2.gz WMNAQPNYTFXCEO-GUYCJALGSA-N -1 0 343.414 3.743 20 0 EHADRM CC1(C)C[C@]1(C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000659144840 975744385 /nfs/dbraw/zinc/74/43/85/975744385.db2.gz ZTPGDIXJBQPTQN-XMSQKQJNSA-N -1 0 349.430 3.565 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000659148746 975750647 /nfs/dbraw/zinc/75/06/47/975750647.db2.gz WZVBWSFGDHIJMD-FEAKQIBJSA-N -1 0 325.364 3.604 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)[C@@H]1CCC[C@H]2C[C@H]21)c1cccc2ccccc21 ZINC000659158204 975756244 /nfs/dbraw/zinc/75/62/44/975756244.db2.gz YCJVAURSJLMHDC-JEDBISTDSA-N -1 0 337.419 3.908 20 0 EHADRM CC(C)Oc1c(NC(=O)c2onc3ccccc32)cccc1C(=O)[O-] ZINC001591746308 975781056 /nfs/dbraw/zinc/78/10/56/975781056.db2.gz HPSQTJVIZFDXFS-UHFFFAOYSA-N -1 0 340.335 3.566 20 0 EHADRM C[C@H](CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21)c1cccc(F)c1 ZINC000659192791 975792162 /nfs/dbraw/zinc/79/21/62/975792162.db2.gz GSMRCCZTHGGZCY-NKGKWGDASA-N -1 0 347.430 3.811 20 0 EHADRM C[C@@H](CCC(=O)NCc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000659223580 975835432 /nfs/dbraw/zinc/83/54/32/975835432.db2.gz OHOXPCJWPLTWFL-ZDUSSCGKSA-N -1 0 329.371 3.724 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CC[C@@H](C)[C@H](C)C1 ZINC001591763314 975866000 /nfs/dbraw/zinc/86/60/00/975866000.db2.gz NFPYRAXDLWYUBC-CHWSQXEVSA-N -1 0 334.416 3.682 20 0 EHADRM CC(C)=CCC[N@@H+]1Cc2cccc(Br)c2C[C@H]1C(=O)[O-] ZINC000659789083 975876526 /nfs/dbraw/zinc/87/65/26/975876526.db2.gz QBUYVQWBWWRUFI-HNNXBMFYSA-N -1 0 338.245 3.617 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NCc1cccc2c1OCC2 ZINC001591772868 975909690 /nfs/dbraw/zinc/90/96/90/975909690.db2.gz NVUCRSBZLGJDOK-UHFFFAOYSA-N -1 0 327.380 3.719 20 0 EHADRM CC(C)Oc1ccc(NC(=O)c2cc3ncccc3o2)c(C(=O)[O-])c1 ZINC001591788185 975969118 /nfs/dbraw/zinc/96/91/18/975969118.db2.gz RRHCIBDQWAHUAG-UHFFFAOYSA-N -1 0 340.335 3.566 20 0 EHADRM O=C([O-])CCCCNC(=O)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000666558657 975972951 /nfs/dbraw/zinc/97/29/51/975972951.db2.gz UHBZERBHHBQKET-GOSISDBHSA-N -1 0 340.423 3.941 20 0 EHADRM Cc1cccc2cc(C(=O)N3CCC4(C[C@@H]4C(=O)[O-])CC3)sc21 ZINC000668267413 975977609 /nfs/dbraw/zinc/97/76/09/975977609.db2.gz NDHKFIJWKKJVMO-CYBMUJFWSA-N -1 0 329.421 3.537 20 0 EHADRM Cc1c(NC(=O)c2ccc([C@@H]3CCCOC3)cc2)cccc1C(=O)[O-] ZINC000668268696 975977948 /nfs/dbraw/zinc/97/79/48/975977948.db2.gz YPPYKEHTASWGLL-MRXNPFEDSA-N -1 0 339.391 3.840 20 0 EHADRM CO[C@@](C)(C(=O)Nc1cc(C(=O)[O-])c(C)cc1C)c1ccccc1F ZINC000668283033 975984454 /nfs/dbraw/zinc/98/44/54/975984454.db2.gz HTGPLQFGVSDASY-LJQANCHMSA-N -1 0 345.370 3.641 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000668297374 975990091 /nfs/dbraw/zinc/99/00/91/975990091.db2.gz PCALLMJRMPPWGG-SSDOTTSWSA-N -1 0 339.697 3.678 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)C2)cc1 ZINC000668300752 975991397 /nfs/dbraw/zinc/99/13/97/975991397.db2.gz VKJZBLAIQMOKRA-LEUOFYLZSA-N -1 0 329.440 3.590 20 0 EHADRM CC(C)Oc1cccc(CN(C)c2ncc(C(=O)[O-])cc2Cl)c1 ZINC001591792272 975998245 /nfs/dbraw/zinc/99/82/45/975998245.db2.gz SMLQVJUGQMYUJJ-UHFFFAOYSA-N -1 0 334.803 3.857 20 0 EHADRM CC[C@@H]1CC[C@H](C)N(C(=O)c2ccccc2S[C@H](C)C(=O)[O-])C1 ZINC000668325498 975999194 /nfs/dbraw/zinc/99/91/94/975999194.db2.gz VATOOXVCJIAJPT-BFHYXJOUSA-N -1 0 335.469 3.903 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000669435096 976001260 /nfs/dbraw/zinc/00/12/60/976001260.db2.gz TWFYHSGETNMSFX-SJLPKXTDSA-N -1 0 337.419 3.860 20 0 EHADRM CC(C)Oc1cccc(NCc2cc(C(=O)[O-])c3n2CCCC3)c1 ZINC001591795813 976003026 /nfs/dbraw/zinc/00/30/26/976003026.db2.gz NHCYABRDRLWWHJ-UHFFFAOYSA-N -1 0 328.412 3.922 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000669436742 976004944 /nfs/dbraw/zinc/00/49/44/976004944.db2.gz FJVIAAVYVFZRAF-FUHWJXTLSA-N -1 0 345.439 3.719 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000674995986 976011274 /nfs/dbraw/zinc/01/12/74/976011274.db2.gz VHOXXHHRFOMZQH-OAHLLOKOSA-N -1 0 328.412 3.519 20 0 EHADRM CC(C)Oc1cccc(NC(=O)Nc2cc(C(=O)[O-])ccc2F)c1 ZINC001591797106 976013394 /nfs/dbraw/zinc/01/33/94/976013394.db2.gz XHGXXFCHNGNXDQ-UHFFFAOYSA-N -1 0 332.331 3.955 20 0 EHADRM CC(C)Oc1ccccc1CC(=O)Oc1ccc(Cl)cc1C(=O)[O-] ZINC001591801201 976016957 /nfs/dbraw/zinc/01/69/57/976016957.db2.gz LQALLLIPQTVVGI-UHFFFAOYSA-N -1 0 348.782 3.974 20 0 EHADRM Cc1oc(CN(C)C(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)cc1C(=O)[O-] ZINC000676002487 976026256 /nfs/dbraw/zinc/02/62/56/976026256.db2.gz RJJUAQIYAVUCGZ-NHYWBVRUSA-N -1 0 345.395 3.594 20 0 EHADRM Cc1cc(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)c(C)s1 ZINC000683335040 976090023 /nfs/dbraw/zinc/09/00/23/976090023.db2.gz MHGCTJNEBIZONV-OAHLLOKOSA-N -1 0 331.437 3.571 20 0 EHADRM CC(C)Sc1ccccc1NC(=O)NCc1ccoc1C(=O)[O-] ZINC001591829602 976092604 /nfs/dbraw/zinc/09/26/04/976092604.db2.gz SDIMMTWDSCKRMB-UHFFFAOYSA-N -1 0 334.397 3.800 20 0 EHADRM CC(C)Sc1ccc(C(=O)NCc2ccccc2CC(=O)[O-])cc1 ZINC001591829595 976092821 /nfs/dbraw/zinc/09/28/21/976092821.db2.gz RVSYFCRLGMXAFF-UHFFFAOYSA-N -1 0 343.448 3.744 20 0 EHADRM CC(C)Cc1ccc(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000685023296 976093792 /nfs/dbraw/zinc/09/37/92/976093792.db2.gz JSZOPQMXTLEPKM-NRFANRHFSA-N -1 0 339.435 3.657 20 0 EHADRM CC(C)[C@@H](NC(=O)c1ccc(Oc2cccc(Cl)c2)cc1)C(=O)[O-] ZINC001591837020 976110657 /nfs/dbraw/zinc/11/06/57/976110657.db2.gz BBWLZTBCIAYGMC-MRXNPFEDSA-N -1 0 347.798 3.971 20 0 EHADRM CC(C)c1[nH]c(CN2CC(Cc3ccc(F)c(F)c3)C2)cc1C(=O)[O-] ZINC001591910339 976317780 /nfs/dbraw/zinc/31/77/80/976317780.db2.gz CHUSBKLBIZHIQZ-UHFFFAOYSA-N -1 0 348.393 3.789 20 0 EHADRM CC(C)c1[nH]c(CN2CCc3ccc(F)c(F)c3C2)cc1C(=O)[O-] ZINC001591912829 976352654 /nfs/dbraw/zinc/35/26/54/976352654.db2.gz SKRVWZKXQPXQGK-UHFFFAOYSA-N -1 0 334.366 3.673 20 0 EHADRM CC(C)c1cc(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)c(O)c(C(C)C)c1 ZINC001591931173 976433025 /nfs/dbraw/zinc/43/30/25/976433025.db2.gz SXGCQIGUWGBOMA-CKNLXJGOSA-N -1 0 345.439 3.622 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccc3ccccc32)cn1 ZINC001591941717 976462629 /nfs/dbraw/zinc/46/26/29/976462629.db2.gz DLCBDCBYDKNQRS-LJQANCHMSA-N -1 0 348.402 3.914 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(O)cc2)cc1Cl ZINC001591941881 976464317 /nfs/dbraw/zinc/46/43/17/976464317.db2.gz HYUBKFFXJVOKCE-MRXNPFEDSA-N -1 0 347.798 3.725 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2c3cccnc3n(C)c2C(=O)[O-])cc1 ZINC001591943160 976475689 /nfs/dbraw/zinc/47/56/89/976475689.db2.gz NGWZNTFLTBPLML-UHFFFAOYSA-N -1 0 337.379 3.647 20 0 EHADRM CC(C)c1ccc(-n2nnnc2SCC2(C(=O)[O-])CCCC2)cc1 ZINC001591943659 976482435 /nfs/dbraw/zinc/48/24/35/976482435.db2.gz OVMZTQXLGFMCIS-UHFFFAOYSA-N -1 0 346.456 3.523 20 0 EHADRM CC(C)c1ccc(C(=O)OCc2cn3cccc(C(=O)[O-])c3n2)cc1 ZINC001591946991 976486336 /nfs/dbraw/zinc/48/63/36/976486336.db2.gz BIZOBPYMRBVUHR-UHFFFAOYSA-N -1 0 338.363 3.513 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)NCCSCCC(=O)[O-])cc1 ZINC001591947532 976492005 /nfs/dbraw/zinc/49/20/05/976492005.db2.gz NLLOOAPWTMTHEW-AWEZNQCLSA-N -1 0 337.485 3.628 20 0 EHADRM CC(C)c1ccc(C2(CNC(=O)C3(C(=O)[O-])CC3)CCCC2)cc1 ZINC001591948830 976501986 /nfs/dbraw/zinc/50/19/86/976501986.db2.gz LJFIOFFWIQMRBT-UHFFFAOYSA-N -1 0 329.440 3.603 20 0 EHADRM CC(C)c1ccc(CC2CCN(C(=O)[C@H]3C[C@@H](C(=O)[O-])C3)CC2)cc1 ZINC001591953285 976516924 /nfs/dbraw/zinc/51/69/24/976516924.db2.gz VRUZSIVVOWQCSO-KDURUIRLSA-N -1 0 343.467 3.702 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)c1ccsc1C(=O)[O-])CC2 ZINC001591974599 976591078 /nfs/dbraw/zinc/59/10/78/976591078.db2.gz ZESIXEOOKZNSHS-OAHLLOKOSA-N -1 0 329.421 3.987 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)N[C@H]1CC=C(C(=O)[O-])C1)CCC2 ZINC001591981572 976597721 /nfs/dbraw/zinc/59/77/21/976597721.db2.gz RPGIHBJARRAXHI-FUHWJXTLSA-N -1 0 342.439 3.660 20 0 EHADRM CC(C)c1cccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(Cl)cc2)n1 ZINC001591986336 976606779 /nfs/dbraw/zinc/60/67/79/976606779.db2.gz BWFXCCVENAAFHG-OAHLLOKOSA-N -1 0 333.771 3.841 20 0 EHADRM CC(C)c1cccc(C(=O)OCc2c(Cl)cccc2C(=O)[O-])n1 ZINC001591986938 976609615 /nfs/dbraw/zinc/60/96/15/976609615.db2.gz JZIOWRRQZSGVLC-UHFFFAOYSA-N -1 0 333.771 3.914 20 0 EHADRM CC(C)c1ccccc1OCCC(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC001591998028 976644483 /nfs/dbraw/zinc/64/44/83/976644483.db2.gz KOPVRGQILMCXFV-UHFFFAOYSA-N -1 0 347.455 3.825 20 0 EHADRM CC(C)c1ncc(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)s1 ZINC001592031402 976740306 /nfs/dbraw/zinc/74/03/06/976740306.db2.gz CZBDBHQERFBWKP-UHFFFAOYSA-N -1 0 341.392 3.765 20 0 EHADRM CC(C)c1ncsc1C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001592042648 976771095 /nfs/dbraw/zinc/77/10/95/976771095.db2.gz PUIUZHZROSXWFO-GFCCVEGCSA-N -1 0 339.800 3.903 20 0 EHADRM CC(C)c1nnc(CN[C@@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)s1 ZINC001592060593 976805448 /nfs/dbraw/zinc/80/54/48/976805448.db2.gz RLRPPDUMSLXCSA-XIKOKIGWSA-N -1 0 345.468 3.629 20 0 EHADRM CC(C)c1noc2ncc(C(=O)O[C@@H](C)c3cc(C(=O)[O-])co3)cc21 ZINC001592106452 976883900 /nfs/dbraw/zinc/88/39/00/976883900.db2.gz RHGIZLQQZCDLFZ-VIFPVBQESA-N -1 0 344.323 3.555 20 0 EHADRM CC(C)c1sc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)nc1C(=O)[O-] ZINC001592111730 976902230 /nfs/dbraw/zinc/90/22/30/976902230.db2.gz MQGMHOVAFAMYEZ-NWDGAFQWSA-N -1 0 330.409 3.707 20 0 EHADRM CC(C)n1cc2c(n1)[C@H](N[C@@H](C(=O)[O-])c1ccccc1Cl)CCC2 ZINC001592130736 976960840 /nfs/dbraw/zinc/96/08/40/976960840.db2.gz HTAVSXJJBOJICG-NVXWUHKLSA-N -1 0 347.846 3.910 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])c1ccccc1F ZINC001592242480 977461472 /nfs/dbraw/zinc/46/14/72/977461472.db2.gz JFVRTHXFDKMFEI-GUYCJALGSA-N -1 0 335.419 3.859 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)c2cccc3c(C)ccnc32)n1 ZINC000547628535 1014398708 /nfs/dbraw/zinc/39/87/08/1014398708.db2.gz HWVJSKQNJFHVBB-UHFFFAOYSA-N -1 0 347.465 3.753 20 0 EHADRM C[C@@H](CC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC001592258884 977497395 /nfs/dbraw/zinc/49/73/95/977497395.db2.gz KSXJCQUNUWJKIN-IVMMDQJWSA-N -1 0 337.847 3.668 20 0 EHADRM C[C@H](CC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)Cc1ccc(Cl)cc1 ZINC001592261490 977503213 /nfs/dbraw/zinc/50/32/13/977503213.db2.gz DDIYZAFNLIGPBF-ABGQGECKSA-N -1 0 349.858 3.524 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000654791702 1014402452 /nfs/dbraw/zinc/40/24/52/1014402452.db2.gz HNWQWCLQCOMLMX-GHMZBOCLSA-N -1 0 346.349 3.661 20 0 EHADRM C[C@@H](CC(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1)c1ccccc1 ZINC001592278254 977561536 /nfs/dbraw/zinc/56/15/36/977561536.db2.gz RRCXSQJCFNNHLE-JTQLQIEISA-N -1 0 330.409 3.851 20 0 EHADRM Cc1oc2ccc(NC(=O)N(C)C3(C(=O)[O-])CCCC3)cc2c1C ZINC000654798452 1014414453 /nfs/dbraw/zinc/41/44/53/1014414453.db2.gz SSDFTCHGDIKQLM-UHFFFAOYSA-N -1 0 330.384 3.911 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)Nc1cccc(-c2nccs2)c1)C1CC1 ZINC001592298995 977650531 /nfs/dbraw/zinc/65/05/31/977650531.db2.gz YBBYAKIXQKWPKM-KRWDZBQOSA-N -1 0 345.424 3.575 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)c1ccc(C(F)(F)F)cc1Cl)C1CC1 ZINC001592304149 977662624 /nfs/dbraw/zinc/66/26/24/977662624.db2.gz KLHAPSCBEDFSIR-AWEZNQCLSA-N -1 0 349.736 3.732 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cn1 ZINC001592361901 977853028 /nfs/dbraw/zinc/85/30/28/977853028.db2.gz KGQLHRJFQMTFNO-JTQLQIEISA-N -1 0 334.759 3.577 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Oc1ccc(Sc2ccncc2)cc1 ZINC001592401273 977966615 /nfs/dbraw/zinc/96/66/15/977966615.db2.gz JMOPOIFXZBMCIQ-LBPRGKRZSA-N -1 0 331.393 3.639 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)OCc1ccc(Br)cc1Cl ZINC001592401617 977967189 /nfs/dbraw/zinc/96/71/89/977967189.db2.gz KJPKVAJPSKDGID-QMMMGPOBSA-N -1 0 349.608 3.647 20 0 EHADRM C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)C3(C(=O)[O-])CCC3)c2)C1 ZINC000654821183 1014447488 /nfs/dbraw/zinc/44/74/88/1014447488.db2.gz QWAWNUDBEDQGNC-RHSMWYFYSA-N -1 0 345.439 3.975 20 0 EHADRM C[C@H](CC(=O)[O-])SCc1ccc(OCc2ccccc2F)nc1 ZINC001592422086 978035741 /nfs/dbraw/zinc/03/57/41/978035741.db2.gz KYHWBVSWADNBIT-GFCCVEGCSA-N -1 0 335.400 3.896 20 0 EHADRM C[C@H](CC(=O)[O-])SCCc1cc(Cl)c2c(c1)OCCCO2 ZINC001592422632 978037472 /nfs/dbraw/zinc/03/74/72/978037472.db2.gz UIUFTRHHKVQGOP-SNVBAGLBSA-N -1 0 330.833 3.640 20 0 EHADRM C[C@H](CC(=O)O[C@H]1CCC[C@@H](C(=O)[O-])C1)c1c[nH]c2ccccc21 ZINC001592429378 978054126 /nfs/dbraw/zinc/05/41/26/978054126.db2.gz KJNPQFXSOBTCPS-MCIONIFRSA-N -1 0 329.396 3.848 20 0 EHADRM C[C@H](CC(F)(F)F)C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001592451936 978140284 /nfs/dbraw/zinc/14/02/84/978140284.db2.gz IDVJZIAJDPGEAP-RXMQYKEDSA-N -1 0 327.661 3.704 20 0 EHADRM C[C@@H](CC(F)(F)F)C(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1 ZINC001592452168 978142488 /nfs/dbraw/zinc/14/24/88/978142488.db2.gz JTXWQCUICKMPGV-AAEUAGOBSA-N -1 0 337.382 3.895 20 0 EHADRM Oc1ccc(OCc2ccccc2)cc1-c1nc([C@@H]2CCOC2)no1 ZINC000579777896 1014467662 /nfs/dbraw/zinc/46/76/62/1014467662.db2.gz LVNQXCUGOGQMQT-CQSZACIVSA-N -1 0 338.363 3.525 20 0 EHADRM C[C@H](CCC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-])c1ccccc1 ZINC001592470349 978220953 /nfs/dbraw/zinc/22/09/53/978220953.db2.gz KDQPRTXCFBFXNU-RDTXWAMCSA-N -1 0 343.398 3.522 20 0 EHADRM C[C@H](CCC(=O)N(CC(=O)[O-])c1cccc(F)c1)c1ccccc1 ZINC001592471928 978234644 /nfs/dbraw/zinc/23/46/44/978234644.db2.gz WYWFXDAPFLFXIM-CQSZACIVSA-N -1 0 329.371 3.827 20 0 EHADRM C[C@H](CCC(C)(C)C)NC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001592477425 978242963 /nfs/dbraw/zinc/24/29/63/978242963.db2.gz IQPUPKYKJALBLO-GFCCVEGCSA-N -1 0 335.448 3.787 20 0 EHADRM C[C@H](CCC(C)(C)C)C(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001592477601 978245618 /nfs/dbraw/zinc/24/56/18/978245618.db2.gz LSQNJSUNDVTVEW-VUULHSHRSA-N -1 0 341.517 3.694 20 0 EHADRM C[C@@H](CCC(C)(C)C)C(=O)N1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001592478601 978252907 /nfs/dbraw/zinc/25/29/07/978252907.db2.gz UPUPOJZJIKTIPM-LBPRGKRZSA-N -1 0 336.432 3.541 20 0 EHADRM C[C@H](CCCC(F)(F)F)NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001592478816 978254511 /nfs/dbraw/zinc/25/45/11/978254511.db2.gz YNRWIOKIUMBOQM-LLVKDONJSA-N -1 0 331.334 3.555 20 0 EHADRM CC(C)Oc1ncccc1NC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000736493249 978338992 /nfs/dbraw/zinc/33/89/92/978338992.db2.gz QOAYKZGTDRJOEL-UHFFFAOYSA-N -1 0 330.344 3.603 20 0 EHADRM C[C@@H](CCNC(=O)NCc1ccc(C(=O)[O-])s1)CC(C)(C)C ZINC001592522191 978379432 /nfs/dbraw/zinc/37/94/32/978379432.db2.gz WVRIIARXWNYUBF-NSHDSACASA-N -1 0 326.462 3.708 20 0 EHADRM CC(C)(NC(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC000737596119 978420981 /nfs/dbraw/zinc/42/09/81/978420981.db2.gz KETXFCDNJOBFFZ-NTMALXAHSA-N -1 0 333.384 3.547 20 0 EHADRM C[C@H](CN(C(=O)CC1(CSc2ccccc2)CC1)C1CC1)C(=O)[O-] ZINC001592557734 978447968 /nfs/dbraw/zinc/44/79/68/978447968.db2.gz PIQCTNDTEAAQRX-CQSZACIVSA-N -1 0 347.480 3.661 20 0 EHADRM C[C@H](CN(C(=O)c1ccc(-c2cccc(F)c2)s1)C1CC1)C(=O)[O-] ZINC001592562644 978450587 /nfs/dbraw/zinc/45/05/87/978450587.db2.gz FDIOSOPWIAGAKI-LLVKDONJSA-N -1 0 347.411 3.880 20 0 EHADRM C[C@H](CN(C)C(=O)c1ccc(Oc2cccc(Cl)c2)cc1)C(=O)[O-] ZINC001592579869 978490478 /nfs/dbraw/zinc/49/04/78/978490478.db2.gz LQPBWCFMPCIQFT-GFCCVEGCSA-N -1 0 347.798 3.925 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)C1CCC(C)(C)CC1)C(=O)[O-] ZINC001592602504 978540679 /nfs/dbraw/zinc/54/06/79/978540679.db2.gz RLODPIOVFLOWQO-OAHLLOKOSA-N -1 0 331.456 3.952 20 0 EHADRM Cc1ccc(-c2cc(C(=O)Nc3cc(Cl)cc(C(=O)[O-])c3)n[nH]2)o1 ZINC000738488384 978547294 /nfs/dbraw/zinc/54/72/94/978547294.db2.gz MLTRHUMZIBLBLH-UHFFFAOYSA-N -1 0 345.742 3.582 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1cccc2ccncc21)C(=O)[O-] ZINC001592606409 978555229 /nfs/dbraw/zinc/55/52/29/978555229.db2.gz ZFFGODALCIOONB-HNNXBMFYSA-N -1 0 348.402 3.598 20 0 EHADRM C[C@H](CN(Cc1ccccc1)c1nc2cccc(F)c2o1)C(=O)[O-] ZINC001592609723 978557246 /nfs/dbraw/zinc/55/72/46/978557246.db2.gz KSBWFGXTRDTZBC-GFCCVEGCSA-N -1 0 328.343 3.694 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCC[C@H]2Cc2ccccc2)c(F)c1 ZINC000740147602 978670802 /nfs/dbraw/zinc/67/08/02/978670802.db2.gz MOPGHMVISQSWPC-HNNXBMFYSA-N -1 0 342.370 3.763 20 0 EHADRM COc1cc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)ccc1Cl ZINC000761727517 978714625 /nfs/dbraw/zinc/71/46/25/978714625.db2.gz VNFLGAFEZARGKO-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM Cc1nc2ccccc2cc1C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000761980218 978717218 /nfs/dbraw/zinc/71/72/18/978717218.db2.gz WRWODADUQMZPFP-OAHLLOKOSA-N -1 0 340.423 3.506 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000766846053 978727071 /nfs/dbraw/zinc/72/70/71/978727071.db2.gz WPYYVEZAZXHKOD-UHFFFAOYSA-N -1 0 340.766 3.722 20 0 EHADRM O=C([O-])CCNC(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000766855397 978727724 /nfs/dbraw/zinc/72/77/24/978727724.db2.gz CDJWWOAQKZNWDQ-LFIBNONCSA-N -1 0 347.773 3.611 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCN2C(=O)c1ccc(C(=O)[O-])s1 ZINC000766883413 978728170 /nfs/dbraw/zinc/72/81/70/978728170.db2.gz JBTJKIKXCRXUHK-UHFFFAOYSA-N -1 0 329.421 3.947 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)/C=C\c1ccccc1Cl ZINC000767125586 978735388 /nfs/dbraw/zinc/73/53/88/978735388.db2.gz SRKVPQSTTVTDNM-TWGQIWQCSA-N -1 0 345.782 3.764 20 0 EHADRM O=C([O-])c1cccc(CC(=O)Nc2cccc(SC(F)F)c2)c1 ZINC000777359726 978775814 /nfs/dbraw/zinc/77/58/14/978775814.db2.gz MLCYUBQVQUAWGW-UHFFFAOYSA-N -1 0 337.347 3.881 20 0 EHADRM Cc1ccc(OC[C@H](C)NC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000811815137 978858314 /nfs/dbraw/zinc/85/83/14/978858314.db2.gz GZCSWPGVFQLPSF-LBPRGKRZSA-N -1 0 347.798 3.544 20 0 EHADRM CCc1cccc2c1N(C(=O)c1cc(C(=O)[O-])ccc1Cl)CC2 ZINC000811818473 978862445 /nfs/dbraw/zinc/86/24/45/978862445.db2.gz OEGWJTUACYKZHG-UHFFFAOYSA-N -1 0 329.783 3.804 20 0 EHADRM CC[C@@H](Cc1ccccc1)NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811822652 978867523 /nfs/dbraw/zinc/86/75/23/978867523.db2.gz IUMGGTYSLMQBLE-AWEZNQCLSA-N -1 0 331.799 3.789 20 0 EHADRM C[C@H](CCc1cccn1C)NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000827427330 978959770 /nfs/dbraw/zinc/95/97/70/978959770.db2.gz FTHNVRLETNLSMD-LLVKDONJSA-N -1 0 349.818 3.520 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000828652461 978986620 /nfs/dbraw/zinc/98/66/20/978986620.db2.gz MLWXMHAPQLXADL-CYBMUJFWSA-N -1 0 335.256 3.923 20 0 EHADRM Cc1ccc(NC(=O)CNc2ccc(C)c(C(=O)[O-])c2)c(Cl)c1 ZINC000832943893 979059173 /nfs/dbraw/zinc/05/91/73/979059173.db2.gz MOGPTYZUAAZKFN-UHFFFAOYSA-N -1 0 332.787 3.706 20 0 EHADRM CC[C@@H](C)c1nnc(N(C)Cc2cc(C(=O)[O-])c(C)o2)n1CC(C)C ZINC001595018183 979088343 /nfs/dbraw/zinc/08/83/43/979088343.db2.gz PLJNQLMNOKRKNL-GFCCVEGCSA-N -1 0 348.447 3.684 20 0 EHADRM CC[C@H](C)c1nnc(N2CC[C@@H](C(=O)[O-])C2)n1C1CC(C(C)(C)C)C1 ZINC001595019178 979093930 /nfs/dbraw/zinc/09/39/30/979093930.db2.gz XNVXSMHGLHLGIR-ZUJMUWTESA-N -1 0 348.491 3.700 20 0 EHADRM CC[C@@H](C)c1nnc(N2CC[C@@H](C(=O)[O-])C2)n1C1CC(C(C)(C)C)C1 ZINC001595019176 979094170 /nfs/dbraw/zinc/09/41/70/979094170.db2.gz XNVXSMHGLHLGIR-LMRVLLHPSA-N -1 0 348.491 3.700 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NC2(c3ccc(F)cc3)CCC2)cc1F ZINC000833153743 979097497 /nfs/dbraw/zinc/09/74/97/979097497.db2.gz QTEINCVABJHJTM-UHFFFAOYSA-N -1 0 346.333 3.864 20 0 EHADRM O=C([O-])Nc1cc(C(=O)OCC[C@@H]2CCCO2)cc(C(F)(F)F)c1 ZINC000833284573 979139804 /nfs/dbraw/zinc/13/98/04/979139804.db2.gz WKADFOLQVBUFHV-LBPRGKRZSA-N -1 0 347.289 3.521 20 0 EHADRM CC[C@H](CC(=O)NC[C@H](CC1CCCC1)C(=O)[O-])c1ccccc1 ZINC001595033002 979172204 /nfs/dbraw/zinc/17/22/04/979172204.db2.gz ADFGDCCUKXLHNF-AEFFLSMTSA-N -1 0 331.456 3.968 20 0 EHADRM CC[C@@H](CC(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)[O-])C(C)C ZINC001595034040 979180316 /nfs/dbraw/zinc/18/03/16/979180316.db2.gz XNTPYRUKKQCOAX-BBRMVZONSA-N -1 0 331.412 3.617 20 0 EHADRM CCC(CC)(C(=O)Nc1ccnc(C(=O)[O-])n1)c1ccc(Cl)cc1 ZINC001595041656 979227371 /nfs/dbraw/zinc/22/73/71/979227371.db2.gz SUBPBTUWPKTCEA-UHFFFAOYSA-N -1 0 347.802 3.525 20 0 EHADRM CCC(CC)(CC(=O)[O-])C(=O)OCc1coc(-c2cccc(F)c2)n1 ZINC001595048619 979265727 /nfs/dbraw/zinc/26/57/27/979265727.db2.gz CETPYAWPBYVJRQ-UHFFFAOYSA-N -1 0 349.358 3.805 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1ccc(CCSC)cc1 ZINC001595049711 979274672 /nfs/dbraw/zinc/27/46/72/979274672.db2.gz AJNGGJGNQCXCSM-UHFFFAOYSA-N -1 0 338.473 3.747 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1cccc2c(C)nccc12 ZINC001595049786 979275729 /nfs/dbraw/zinc/27/57/29/979275729.db2.gz FAAUQEFSIFJUOM-UHFFFAOYSA-N -1 0 329.400 3.698 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N(Cc2ccccc2F)C2CCCCC2)C1 ZINC000840943106 979279739 /nfs/dbraw/zinc/27/97/39/979279739.db2.gz BRYYJQVEMRVNOE-LSDHHAIUSA-N -1 0 347.430 3.988 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000840944708 979284728 /nfs/dbraw/zinc/28/47/28/979284728.db2.gz ROJQNOXRMLGJCP-STQMWFEESA-N -1 0 329.371 3.831 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc(OC)c2ccccc12)C(=O)[O-] ZINC001595071237 979340369 /nfs/dbraw/zinc/34/03/69/979340369.db2.gz NRVAHVBSUZHENW-UHFFFAOYSA-N -1 0 344.411 3.861 20 0 EHADRM CCCNc1ccc(C(F)(F)F)cc1NC(=O)CCCC(=O)[O-] ZINC000844246877 979391726 /nfs/dbraw/zinc/39/17/26/979391726.db2.gz YJUMGBIGFXEVPG-UHFFFAOYSA-N -1 0 332.322 3.721 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N2CCC(C3CCCCC3)CC2)c1 ZINC000846126054 979409886 /nfs/dbraw/zinc/40/98/86/979409886.db2.gz TVBIVPGMFRGNCT-UHFFFAOYSA-N -1 0 329.440 3.746 20 0 EHADRM C[C@H](COc1ccccc1)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC001592782824 979419897 /nfs/dbraw/zinc/41/98/97/979419897.db2.gz MNIVAUDNNXQSEW-KGLIPLIRSA-N -1 0 327.380 3.528 20 0 EHADRM CCC(CC)[C@@H]1C[C@H](NC(=O)Nc2ccc(C(=O)[O-])cc2C)CCO1 ZINC001595110219 979453757 /nfs/dbraw/zinc/45/37/57/979453757.db2.gz UZSMESPLJSVVNH-WBVHZDCISA-N -1 0 348.443 3.799 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)o1 ZINC000851594873 979507475 /nfs/dbraw/zinc/50/74/75/979507475.db2.gz MHQGSYQLKNXEBS-QJWNTBNXSA-N -1 0 337.375 3.670 20 0 EHADRM C[C@@H](CN(C(=O)c1cccc(SC(F)(F)F)c1)C1CC1)C(=O)[O-] ZINC000851601393 979520504 /nfs/dbraw/zinc/52/05/04/979520504.db2.gz SCOAHOLWBUZZEX-VIFPVBQESA-N -1 0 347.358 3.624 20 0 EHADRM CC[C@H](CN(CC)C(=O)Nc1ccc(C(=O)[O-])nc1)c1ccccc1 ZINC001595130081 979540171 /nfs/dbraw/zinc/54/01/71/979540171.db2.gz UEBLLESUACNZPG-CQSZACIVSA-N -1 0 341.411 3.827 20 0 EHADRM C[C@H](CSCc1nc2cc(Br)ccc2o1)C(=O)[O-] ZINC001592829768 979550496 /nfs/dbraw/zinc/55/04/96/979550496.db2.gz AUNQYGOCTZYJOB-SSDOTTSWSA-N -1 0 330.203 3.544 20 0 EHADRM CC[C@](CNC(=O)C1CCC(C2CC2)CC1)(C(=O)[O-])c1ccccc1 ZINC001595139138 979587889 /nfs/dbraw/zinc/58/78/89/979587889.db2.gz BNYHFEMSDHITLQ-MYKUNDNFSA-N -1 0 343.467 3.752 20 0 EHADRM CC[C@@](CNC(=O)[C@@H]1CCC=CCCC1)(C(=O)[O-])c1ccccc1 ZINC001595139102 979588029 /nfs/dbraw/zinc/58/80/29/979588029.db2.gz AOENIFITZLDBOH-UZLBHIALSA-N -1 0 329.440 3.672 20 0 EHADRM CCN(C(=O)CCCC(=O)[O-])[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000852956775 979590197 /nfs/dbraw/zinc/59/01/97/979590197.db2.gz GXYIBKZQTSRVMV-LBPRGKRZSA-N -1 0 345.361 3.740 20 0 EHADRM CCCCN(C)c1ccc(C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000856723233 979610372 /nfs/dbraw/zinc/61/03/72/979610372.db2.gz ZLMWUKXWVLUIMF-UHFFFAOYSA-N -1 0 340.423 3.802 20 0 EHADRM CCC[C@](C)(NC(=O)/C=C/c1csc(C(F)(F)F)c1)C(=O)[O-] ZINC000864113174 979705254 /nfs/dbraw/zinc/70/52/54/979705254.db2.gz PVHUQUKGWPGVPE-IHVVCDCBSA-N -1 0 335.347 3.540 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N[C@H]2CCCC3(CC3)C2)cc1)C(=O)[O-] ZINC001592865494 979705974 /nfs/dbraw/zinc/70/59/74/979705974.db2.gz CCRSDFGQIXVMGC-BBRMVZONSA-N -1 0 330.428 3.794 20 0 EHADRM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000864123360 979721980 /nfs/dbraw/zinc/72/19/80/979721980.db2.gz MUPHHFNESHGSRI-IXOXFDKPSA-N -1 0 329.421 3.508 20 0 EHADRM CCC(CC)(CNC(=O)/C=C/c1csc(C(F)(F)F)c1)C(=O)[O-] ZINC000864127274 979727508 /nfs/dbraw/zinc/72/75/08/979727508.db2.gz RIGBIXXFPXDILI-AATRIKPKSA-N -1 0 349.374 3.787 20 0 EHADRM CSCCCCCCC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000864131113 979732919 /nfs/dbraw/zinc/73/29/19/979732919.db2.gz RQPVBYOGXDHJOF-UHFFFAOYSA-N -1 0 335.469 3.583 20 0 EHADRM CC[C@H](CNc1ccccc1)NC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001595172431 979741895 /nfs/dbraw/zinc/74/18/95/979741895.db2.gz CVXONNMDYYGUCT-OAHLLOKOSA-N -1 0 341.411 3.705 20 0 EHADRM CC[C@@](CNc1cc(C(C)(C)C)ncn1)(C(=O)[O-])c1ccccc1 ZINC001595172504 979742586 /nfs/dbraw/zinc/74/25/86/979742586.db2.gz GJOJORYNGCJYSU-IBGZPJMESA-N -1 0 327.428 3.619 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2nc(C(C)(C)C)cs2)cc1)C(=O)[O-] ZINC001592877018 979742801 /nfs/dbraw/zinc/74/28/01/979742801.db2.gz GURVKKLEFZHONF-NSHDSACASA-N -1 0 346.452 3.956 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC001592883211 979758108 /nfs/dbraw/zinc/75/81/08/979758108.db2.gz NEMIXVCLDZLZET-LRDDRELGSA-N -1 0 337.847 3.668 20 0 EHADRM Cc1cocc1C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC000864149791 979758734 /nfs/dbraw/zinc/75/87/34/979758734.db2.gz OTAAQXBZTBQOEM-UHFFFAOYSA-N -1 0 328.368 3.529 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC001592884783 979765546 /nfs/dbraw/zinc/76/55/46/979765546.db2.gz BKCTYWMQLKTEDL-SNVBAGLBSA-N -1 0 333.771 3.561 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC001592884782 979765732 /nfs/dbraw/zinc/76/57/32/979765732.db2.gz BKCTYWMQLKTEDL-JTQLQIEISA-N -1 0 333.771 3.561 20 0 EHADRM O=C([O-])c1coc(/C=C/C(=O)N(Cc2ccccc2F)CC2CC2)c1 ZINC000864154789 979766671 /nfs/dbraw/zinc/76/66/71/979766671.db2.gz MFMRGTFFQINYAU-BQYQJAHWSA-N -1 0 343.354 3.569 20 0 EHADRM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000864157540 979769071 /nfs/dbraw/zinc/76/90/71/979769071.db2.gz NFJNOJZJMDNYBN-JJEJIETFSA-N -1 0 343.379 3.609 20 0 EHADRM Cc1cc2c(CC(=O)N(CC(=O)[O-])C3CCCC3)csc2s1 ZINC000864158326 979771225 /nfs/dbraw/zinc/77/12/25/979771225.db2.gz IQWLPVOTHLHTTL-UHFFFAOYSA-N -1 0 337.466 3.670 20 0 EHADRM COc1cccc(Nc2ccc(NC(=O)C[C@@H](C)CC(=O)[O-])cc2)c1 ZINC000864161478 979778090 /nfs/dbraw/zinc/77/80/90/979778090.db2.gz UBPORHDRNUYDBH-CYBMUJFWSA-N -1 0 342.395 3.878 20 0 EHADRM O=C([O-])C1=CC[C@@H](NC(=O)CC2CCC(c3ccccc3)CC2)C1 ZINC000864162998 979782196 /nfs/dbraw/zinc/78/21/96/979782196.db2.gz DFNOFUQHMDXVMK-JFUPDXTOSA-N -1 0 327.424 3.640 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)N1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC001592891886 979786057 /nfs/dbraw/zinc/78/60/57/979786057.db2.gz SEHVYGKLUHYDAT-GUIRCDHDSA-N -1 0 337.847 3.619 20 0 EHADRM Cc1ccc(C(=O)N[C@H]2CC[C@H](OCCC(C)C)CC2)cc1C(=O)[O-] ZINC000864172536 979804671 /nfs/dbraw/zinc/80/46/71/979804671.db2.gz XIMYGWFGMTXHEN-QAQDUYKDSA-N -1 0 347.455 3.797 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@@]2(C)Cc2ccc(C)cc2)oc1C(=O)[O-] ZINC000864195126 979854885 /nfs/dbraw/zinc/85/48/85/979854885.db2.gz YNRVXLMOYIVRNY-FQEVSTJZSA-N -1 0 341.407 3.832 20 0 EHADRM COC(C)(C)CCNC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000864201857 979880335 /nfs/dbraw/zinc/88/03/35/979880335.db2.gz GEMQXBBYRIQNGU-UHFFFAOYSA-N -1 0 341.407 3.597 20 0 EHADRM C[C@H](c1ccc(C(=O)NCc2cc(C(=O)[O-])co2)cc1)C(F)(F)F ZINC000864358547 979932915 /nfs/dbraw/zinc/93/29/15/979932915.db2.gz AHXYWCLZKZJKPN-SECBINFHSA-N -1 0 341.285 3.574 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)c1csc(C(=O)[O-])n1 ZINC001595204158 979973119 /nfs/dbraw/zinc/97/31/19/979973119.db2.gz ALCWPXHQZAMNNV-AWEZNQCLSA-N -1 0 346.452 3.633 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001595205166 979979500 /nfs/dbraw/zinc/97/95/00/979979500.db2.gz RJOHBSJBKZGIPQ-MSOLQXFVSA-N -1 0 344.455 3.521 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)Oc1ccc(N(C)C)c(C(=O)[O-])c1 ZINC001595210082 979982760 /nfs/dbraw/zinc/98/27/60/979982760.db2.gz BJQVIQXAPWYDHO-OAHLLOKOSA-N -1 0 341.407 3.625 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)NCc1ccccc1C(=O)[O-] ZINC001595210431 979984348 /nfs/dbraw/zinc/98/43/48/979984348.db2.gz GMPKBURRNMEJGX-MRXNPFEDSA-N -1 0 325.408 3.578 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC001595211130 979989004 /nfs/dbraw/zinc/98/90/04/979989004.db2.gz PZUXTPCIDSNUGX-MAUKXSAKSA-N -1 0 343.398 3.645 20 0 EHADRM CC(C)(CNc1cc(C(F)(F)F)c(C(=O)[O-])cn1)C(C)(F)F ZINC001592934108 979990361 /nfs/dbraw/zinc/99/03/61/979990361.db2.gz DCEZUJYMQZETLV-UHFFFAOYSA-N -1 0 326.265 3.892 20 0 EHADRM CC(F)(F)CC(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001592936361 980000385 /nfs/dbraw/zinc/00/03/85/980000385.db2.gz URRSVWHYKPUEIZ-UHFFFAOYSA-N -1 0 341.335 3.597 20 0 EHADRM CC(F)(F)c1cccc(NC(=O)N2CCC(CC(=O)[O-])CC2)c1 ZINC001592944049 980019360 /nfs/dbraw/zinc/01/93/60/980019360.db2.gz HFNMVFBIIPFVGW-UHFFFAOYSA-N -1 0 326.343 3.517 20 0 EHADRM CC(F)(F)c1ccccc1NC(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001592944979 980024983 /nfs/dbraw/zinc/02/49/83/980024983.db2.gz UTDSIRLHDFBGTQ-UHFFFAOYSA-N -1 0 348.349 3.747 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)Nc1cnc(C(=O)[O-])c(Cl)c1 ZINC001595220396 980049238 /nfs/dbraw/zinc/04/92/38/980049238.db2.gz ZBIQBDGLVGSXPH-LBPRGKRZSA-N -1 0 346.814 3.949 20 0 EHADRM O=C([O-])c1cccc(NC(=O)Cc2csc(C3CCCC3)n2)c1 ZINC000872712578 980092345 /nfs/dbraw/zinc/09/23/45/980092345.db2.gz TYBWLOYRHHAQQB-UHFFFAOYSA-N -1 0 330.409 3.680 20 0 EHADRM C[C@H](NC(=O)C12CC(C(=O)[O-])(C1)C2)c1cc(F)c(Cl)cc1Cl ZINC001592998540 980208116 /nfs/dbraw/zinc/20/81/16/980208116.db2.gz MCUKMJCDFMTXDJ-FBPSZTJUSA-N -1 0 346.185 3.565 20 0 EHADRM C[C@H](NC(=O)C12CCC(C(=O)[O-])(CC1)C2)c1ccc(Cl)c(F)c1 ZINC001592999201 980212197 /nfs/dbraw/zinc/21/21/97/980212197.db2.gz WOVSLHIHUSBAEE-DTUOUAAVSA-N -1 0 339.794 3.691 20 0 EHADRM CC[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccc1C)c1c(C)noc1C ZINC001595251486 980212526 /nfs/dbraw/zinc/21/25/26/980212526.db2.gz BNLWJPGYPOKLPW-CYBMUJFWSA-N -1 0 331.372 3.571 20 0 EHADRM C[C@@H](NC(=O)C1CC2(C1)CCCCC2)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593002335 980214811 /nfs/dbraw/zinc/21/48/11/980214811.db2.gz FTFQHJIYFIWCBQ-QAPCUYQASA-N -1 0 343.467 3.795 20 0 EHADRM CC[C@H](NC(=O)NCc1ccc(CC(=O)[O-])cc1)c1ccc(C)cc1 ZINC001595253063 980226382 /nfs/dbraw/zinc/22/63/82/980226382.db2.gz NVXPPRWWEUMYFY-SFHVURJKSA-N -1 0 340.423 3.573 20 0 EHADRM Cc1cccc(NC(=O)CCCC(=O)[O-])c1OCc1ccccc1 ZINC000899850581 980232400 /nfs/dbraw/zinc/23/24/00/980232400.db2.gz JFVWARRHCZKXJS-UHFFFAOYSA-N -1 0 327.380 3.767 20 0 EHADRM CC[C@@H](NC(=O)Nc1cc(C(=O)[O-])sc1C)c1nc(C)cs1 ZINC001595256366 980237025 /nfs/dbraw/zinc/23/70/25/980237025.db2.gz BGIHSTAFBPVFDZ-SECBINFHSA-N -1 0 339.442 3.792 20 0 EHADRM O=C([O-])c1cc2n(n1)CCC[C@@H]2NCc1c(Cl)oc2ccccc21 ZINC000900070561 980242997 /nfs/dbraw/zinc/24/29/97/980242997.db2.gz MLUMXOQZPDTDSW-LBPRGKRZSA-N -1 0 345.786 3.606 20 0 EHADRM CC[C@H](NC(=O)Nc1cccc(CC(=O)[O-])n1)c1cc(C)ccc1C ZINC001595258211 980253107 /nfs/dbraw/zinc/25/31/07/980253107.db2.gz MYCJFUAUUQROLC-INIZCTEOSA-N -1 0 341.411 3.598 20 0 EHADRM Cc1coc(-c2cccc([N-]S(=O)(=O)c3cc(C)oc3C)c2)n1 ZINC000182816670 1032099012 /nfs/dbraw/zinc/09/90/12/1032099012.db2.gz UDEOAYCNJAZKKR-UHFFFAOYSA-N -1 0 332.381 3.661 20 0 EHADRM C[C@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)[C@H]1CC2CCC1CC2 ZINC001593019876 980275478 /nfs/dbraw/zinc/27/54/78/980275478.db2.gz KGJRUKBJXXUFFR-VDINOMKWSA-N -1 0 329.440 3.648 20 0 EHADRM CC[C@H](NC(=O)c1ccc(/C=C/C(=O)[O-])o1)c1ccc(F)cc1F ZINC001595269286 980285167 /nfs/dbraw/zinc/28/51/67/980285167.db2.gz YCJRSGDVDXLPEA-GPAKFWEMSA-N -1 0 335.306 3.537 20 0 EHADRM CC[C@@](NC(=O)c1cccc2c1CCCC2)(C(=O)[O-])c1ccccc1 ZINC001595270268 980285739 /nfs/dbraw/zinc/28/57/39/980285739.db2.gz DVDZIFKRTVZTBP-NRFANRHFSA-N -1 0 337.419 3.685 20 0 EHADRM C[C@@H](N[C@H](C(=O)[O-])c1ccc2c(c1)CCO2)c1cc2ccccc2o1 ZINC000901524875 980348328 /nfs/dbraw/zinc/34/83/28/980348328.db2.gz JAPZIPZVLATBHK-BLVKFPJESA-N -1 0 337.375 3.844 20 0 EHADRM CC[C@@H](NCc1ccc(Cl)c(C(=O)[O-])n1)c1ccc(F)cc1F ZINC001595299939 980431958 /nfs/dbraw/zinc/43/19/58/980431958.db2.gz KPXIJBWMUPSMSV-CQSZACIVSA-N -1 0 340.757 3.952 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC2CCC(C(F)F)CC2)c1OC ZINC000901711751 980461550 /nfs/dbraw/zinc/46/15/50/980461550.db2.gz PACSRXUHDQCLSC-UHFFFAOYSA-N -1 0 329.343 3.638 20 0 EHADRM C[C@H](Cc1ccc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1)C(=O)[O-] ZINC000901735234 980471353 /nfs/dbraw/zinc/47/13/53/980471353.db2.gz PMGGHINJDNLKKR-RNJTYBCJSA-N -1 0 329.440 3.709 20 0 EHADRM Cc1cnc(CN[C@@](C)(C(=O)[O-])c2ccc(Cl)c(Cl)c2)s1 ZINC000901745656 980475604 /nfs/dbraw/zinc/47/56/04/980475604.db2.gz BUWSXWQXDZLHSS-CQSZACIVSA-N -1 0 345.251 3.848 20 0 EHADRM O=C([O-])[C@H](CC(F)(F)F)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000901781074 980511848 /nfs/dbraw/zinc/51/18/48/980511848.db2.gz WMKDICAXFDUYFW-LBPRGKRZSA-N -1 0 331.265 3.581 20 0 EHADRM CC[C@@H](Nc1cnn(CC(C)C)c1C(F)F)C1(C(=O)[O-])CCC1 ZINC001595322893 980517332 /nfs/dbraw/zinc/51/73/32/980517332.db2.gz NDWKIBGRVLOOLY-GFCCVEGCSA-N -1 0 329.391 3.922 20 0 EHADRM CC[C@H](OC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccc(F)cc1F ZINC001595338819 980610138 /nfs/dbraw/zinc/61/01/38/980610138.db2.gz WYBJKJFYNGYZAH-PODYEWJSSA-N -1 0 336.290 3.964 20 0 EHADRM CC[C@@H](OC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccc(F)cc1F ZINC001595338818 980610238 /nfs/dbraw/zinc/61/02/38/980610238.db2.gz WYBJKJFYNGYZAH-LHRNQBEKSA-N -1 0 336.290 3.964 20 0 EHADRM CC[C@@H](OC(=O)c1cc(C(=O)[O-])ccn1)c1cccc(Cl)c1F ZINC001595344554 980627754 /nfs/dbraw/zinc/62/77/54/980627754.db2.gz LXBUDIJDFALJBS-CYBMUJFWSA-N -1 0 337.734 3.880 20 0 EHADRM O=C([O-])CN(Cc1ccc(-c2nc3ccccc3s2)o1)C1CC1 ZINC000901971099 980654955 /nfs/dbraw/zinc/65/49/55/980654955.db2.gz GEGWVHDPKZGMIF-UHFFFAOYSA-N -1 0 328.393 3.605 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001595355559 980703155 /nfs/dbraw/zinc/70/31/55/980703155.db2.gz CFIJUPKIFBIFNB-WBVHZDCISA-N -1 0 339.476 3.512 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)O[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001595355619 980703779 /nfs/dbraw/zinc/70/37/79/980703779.db2.gz GKKUIGRHRGHCDZ-LSDHHAIUSA-N -1 0 340.803 3.747 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)Oc1cc(C(=O)[O-])cc(F)c1C ZINC001595356354 980711484 /nfs/dbraw/zinc/71/14/84/980711484.db2.gz BVUPAQCOMVGBFV-MRXNPFEDSA-N -1 0 346.354 3.904 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001595356738 980715298 /nfs/dbraw/zinc/71/52/98/980715298.db2.gz JRQMXXPLCCZYPB-CQSZACIVSA-N -1 0 349.333 3.768 20 0 EHADRM CC(C)CC(=O)Nc1ccc(NCc2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC000902098861 980732742 /nfs/dbraw/zinc/73/27/42/980732742.db2.gz MAYNJBICKKZWCO-MDZDMXLPSA-N -1 0 342.395 3.974 20 0 EHADRM CNC(=O)c1cccc(N[C@@H]2CCC[C@@H](CCCC(=O)[O-])C2)c1C ZINC000902104170 980735645 /nfs/dbraw/zinc/73/56/45/980735645.db2.gz JDENIMNBGUTXOK-LSDHHAIUSA-N -1 0 332.444 3.580 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1csc(C(C)C)n1 ZINC001595360461 980752014 /nfs/dbraw/zinc/75/20/14/980752014.db2.gz HQPLIGKSJULWTB-HNNXBMFYSA-N -1 0 346.452 3.945 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CN[C@@H](c1nc2ccccc2[nH]1)C(C)C ZINC000902140367 980753795 /nfs/dbraw/zinc/75/37/95/980753795.db2.gz STUWTOTZBIBDFZ-MRXNPFEDSA-N -1 0 327.384 3.649 20 0 EHADRM CCc1oc(CNc2ccc(N3CCCC3)c(F)c2)cc1C(=O)[O-] ZINC000902153639 980760295 /nfs/dbraw/zinc/76/02/95/980760295.db2.gz LEGCTENKBHBBHZ-UHFFFAOYSA-N -1 0 332.375 3.892 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccc(C)c(F)c1F ZINC001595361514 980762525 /nfs/dbraw/zinc/76/25/25/980762525.db2.gz YTMZOGOXADALHE-OAHLLOKOSA-N -1 0 347.361 3.951 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cc(C)ccc1F ZINC001595361588 980763153 /nfs/dbraw/zinc/76/31/53/980763153.db2.gz JWIPAXSXULIGSR-QGZVFWFLSA-N -1 0 329.371 3.812 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)CC1(CSC)CC1 ZINC001595361730 980764413 /nfs/dbraw/zinc/76/44/13/980764413.db2.gz NLESDWYSDBEACV-HNNXBMFYSA-N -1 0 335.469 3.584 20 0 EHADRM CC(C)(CCNc1cccc(C[S@@](=O)c2ccccc2)c1)C(=O)[O-] ZINC000902268815 980809263 /nfs/dbraw/zinc/80/92/63/980809263.db2.gz IFXDLDFATZDTAU-XMMPIXPASA-N -1 0 345.464 3.907 20 0 EHADRM CC[C@@]1(C)CN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CCO1 ZINC001595370073 980838514 /nfs/dbraw/zinc/83/85/14/980838514.db2.gz ADWSCBPSUDFHPG-HIFRSBDPSA-N -1 0 332.227 3.620 20 0 EHADRM CCc1oc(CNc2ccc(F)cc2OCC(F)F)cc1C(=O)[O-] ZINC000902355851 980849659 /nfs/dbraw/zinc/84/96/59/980849659.db2.gz UUFYMTBLCBSMQY-UHFFFAOYSA-N -1 0 343.301 3.935 20 0 EHADRM C[C@@H](N[C@@H](C)CC(C)(C)CC(=O)[O-])c1noc(Cc2ccccc2)n1 ZINC000902362160 980853229 /nfs/dbraw/zinc/85/32/29/980853229.db2.gz AELWAAQOFLARKN-UONOGXRCSA-N -1 0 345.443 3.591 20 0 EHADRM C[C@H](Nc1cccc(NC(=O)C2CCCCC2)c1)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000902368442 980856651 /nfs/dbraw/zinc/85/66/51/980856651.db2.gz QWJCKJHOTLUDDF-ZLIFDBKOSA-N -1 0 330.428 3.727 20 0 EHADRM Cc1oc(CN[C@@H]2CCCOc3cc(Cl)ccc32)cc1C(=O)[O-] ZINC000902434255 980884459 /nfs/dbraw/zinc/88/44/59/980884459.db2.gz VIJTUYRKXZMIEG-OAHLLOKOSA-N -1 0 335.787 3.943 20 0 EHADRM CCC1(CC)CCC(NC(=O)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC001595374604 980886123 /nfs/dbraw/zinc/88/61/23/980886123.db2.gz KOAUDHVTQNTCPV-UHFFFAOYSA-N -1 0 333.428 3.629 20 0 EHADRM CC(C)Cn1nccc1CN[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC000902565730 980935495 /nfs/dbraw/zinc/93/54/95/980935495.db2.gz PEQBMHIIIZEMFQ-LJQANCHMSA-N -1 0 337.423 3.608 20 0 EHADRM CC[C@@H]1C[C@H](CC(=O)O[C@@H](C(=O)[O-])c2ccccc2Cl)CCO1 ZINC001595413864 981017593 /nfs/dbraw/zinc/01/75/93/981017593.db2.gz UCJVRVOLCNOLGA-XHBSWPGZSA-N -1 0 340.803 3.604 20 0 EHADRM CC[C@H]1C[C@H](CC(=O)OCc2cccc(C(=O)[O-])c2Cl)CCO1 ZINC001595414204 981020700 /nfs/dbraw/zinc/02/07/00/981020700.db2.gz ZKWHJYNLKQEGMX-YPMHNXCESA-N -1 0 340.803 3.677 20 0 EHADRM CC(C)CN(CC(=O)[O-])Cc1nc2c(s1)C(C)(C)CC(C)(C)C2 ZINC000903896776 981026545 /nfs/dbraw/zinc/02/65/45/981026545.db2.gz ULQNHWZZSPKVKW-UHFFFAOYSA-N -1 0 338.517 3.936 20 0 EHADRM CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001595416643 981033272 /nfs/dbraw/zinc/03/32/72/981033272.db2.gz XMSOYPPNQZGIRS-CHWSQXEVSA-N -1 0 334.416 3.967 20 0 EHADRM CCC1CCC(NC(=O)[C@@H](F)CC2CCCCC2)(C(=O)[O-])CC1 ZINC001595420390 981034762 /nfs/dbraw/zinc/03/47/62/981034762.db2.gz IULAJMAAVWNIAH-DBQDNQAGSA-N -1 0 327.440 3.835 20 0 EHADRM CC[C@H]1CCC[C@@H](NC(=O)Nc2cc(C(=O)[O-])cnc2Cl)C1 ZINC001595432593 981058240 /nfs/dbraw/zinc/05/82/40/981058240.db2.gz VGBKMKYBMLVQDT-GXSJLCMTSA-N -1 0 325.796 3.524 20 0 EHADRM CC[C@H]1CCC[C@H]1C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC001595435082 981062149 /nfs/dbraw/zinc/06/21/49/981062149.db2.gz GADUJSPWSCNQIN-UONOGXRCSA-N -1 0 339.382 3.594 20 0 EHADRM CC[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC001595439234 981074429 /nfs/dbraw/zinc/07/44/29/981074429.db2.gz CSGDXQQVDDBZGD-FGTMMUONSA-N -1 0 331.456 3.795 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC001595443712 981082583 /nfs/dbraw/zinc/08/25/83/981082583.db2.gz AHVVULRLDYEMCB-YPMHNXCESA-N -1 0 339.461 3.593 20 0 EHADRM CC[C@@H](CNC(=O)Nc1cc(-c2ccc(C)o2)ccc1C)C(=O)[O-] ZINC000905055647 981088261 /nfs/dbraw/zinc/08/82/61/981088261.db2.gz ISQXNVHWCLNCFZ-ZDUSSCGKSA-N -1 0 330.384 3.796 20 0 EHADRM COc1cccc([C@@H](C(=O)[O-])N(C)Cc2cc(C(F)(F)F)co2)c1 ZINC000905372662 981096620 /nfs/dbraw/zinc/09/66/20/981096620.db2.gz HTERCBOGXHWJMF-AWEZNQCLSA-N -1 0 343.301 3.565 20 0 EHADRM CC[C@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)CC1 ZINC001595453688 981119606 /nfs/dbraw/zinc/11/96/06/981119606.db2.gz VDWQOWXWURITPL-ZDUSSCGKSA-N -1 0 341.411 3.977 20 0 EHADRM CC[C@@H]1CCC[C@H]1CNC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001595456423 981126162 /nfs/dbraw/zinc/12/61/62/981126162.db2.gz QDDOYUNPTHMFAV-NQZOLGFYSA-N -1 0 330.428 3.823 20 0 EHADRM CC[C@@H]1CCCc2sc(NC(=O)NCc3cc(C(=O)[O-])co3)nc21 ZINC001595458974 981133962 /nfs/dbraw/zinc/13/39/62/981133962.db2.gz BCUOMTAUAZCOJV-SECBINFHSA-N -1 0 349.412 3.586 20 0 EHADRM CC[C@@H]1CCN(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)[C@H]1C ZINC001595460157 981142542 /nfs/dbraw/zinc/14/25/42/981142542.db2.gz RJQUTPWGWDNXBZ-NWDGAFQWSA-N -1 0 327.384 3.585 20 0 EHADRM Cc1oc(CN[C@H](C)c2cc(Cl)cc3c2OCC3)cc1C(=O)[O-] ZINC000905770122 981147716 /nfs/dbraw/zinc/14/77/16/981147716.db2.gz MVEBUJMCIOPYEU-SECBINFHSA-N -1 0 335.787 3.725 20 0 EHADRM CC[C@H]1CCc2ccccc2N1CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001595467119 981154554 /nfs/dbraw/zinc/15/45/54/981154554.db2.gz DXCQNDHUHQPQMV-KRWDZBQOSA-N -1 0 338.407 3.555 20 0 EHADRM CC[C@H]1CN(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)CCS1 ZINC001595475968 981193729 /nfs/dbraw/zinc/19/37/29/981193729.db2.gz VROAFWGRLCDSOC-AWEZNQCLSA-N -1 0 344.436 3.897 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)c1 ZINC000907587763 981198097 /nfs/dbraw/zinc/19/80/97/981198097.db2.gz GPZUSUFFBHZPRU-CWRNSKLLSA-N -1 0 333.453 3.769 20 0 EHADRM CCCc1ccccc1C(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2 ZINC000907768455 981217290 /nfs/dbraw/zinc/21/72/90/981217290.db2.gz KXLMGBBFOMIQGB-GFCCVEGCSA-N -1 0 344.436 3.537 20 0 EHADRM O=C([O-])[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccccc1C1CCC1 ZINC000907780083 981218305 /nfs/dbraw/zinc/21/83/05/981218305.db2.gz BRPXYDAYOUQETL-GOSISDBHSA-N -1 0 341.382 3.519 20 0 EHADRM CC[C@H]1CN(Cc2cc(C(=O)[O-])ccc2OC)c2ccccc2O1 ZINC001595489482 981239178 /nfs/dbraw/zinc/23/91/78/981239178.db2.gz WBDZCQXCHSXAQJ-HNNXBMFYSA-N -1 0 327.380 3.571 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)c1ccc(C(=O)[O-])s1)C(C)(C)C ZINC000908120106 981266543 /nfs/dbraw/zinc/26/65/43/981266543.db2.gz OGQXVJYLXDSKJC-CQSZACIVSA-N -1 0 332.425 3.667 20 0 EHADRM CCC1(C(=O)N[C@H]2CCSC3(CC(C(=O)[O-])C3)C2)CCCCC1 ZINC000908165025 981275684 /nfs/dbraw/zinc/27/56/84/981275684.db2.gz MQXXVPRHXOWYPO-FVRSWCFKSA-N -1 0 339.501 3.592 20 0 EHADRM CC[C@H]1c2ccccc2CN1C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001595503839 981277172 /nfs/dbraw/zinc/27/71/72/981277172.db2.gz DLCHMLWKGRDAGN-SFHVURJKSA-N -1 0 348.402 3.902 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1ccc(C(F)F)cc1)CC1CCCC1 ZINC000908290321 981296915 /nfs/dbraw/zinc/29/69/15/981296915.db2.gz WFSNEOPQRXRDSK-CQSZACIVSA-N -1 0 325.355 3.635 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)[C@@H]2CCCc3ccccc32)CCC1 ZINC000908340992 981305109 /nfs/dbraw/zinc/30/51/09/981305109.db2.gz IYPREOHGLUEEOL-QGZVFWFLSA-N -1 0 329.440 3.648 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)c2sccc2OC(F)F)CCC1 ZINC000908341344 981305270 /nfs/dbraw/zinc/30/52/70/981305270.db2.gz KXYPJGDBLKNOJA-UHFFFAOYSA-N -1 0 347.383 3.505 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)C2CCC(c3ccccc3)CC2)C1 ZINC000908371453 981309220 /nfs/dbraw/zinc/30/92/20/981309220.db2.gz BUZMRRUWUDMFGF-LTDKPHRXSA-N -1 0 329.440 3.720 20 0 EHADRM Cc1cc(C(=O)N2CC=C(c3cccc(C)c3C)CC2)oc1C(=O)[O-] ZINC000908421312 981316952 /nfs/dbraw/zinc/31/69/52/981316952.db2.gz UVWXDHKFKVGWGQ-UHFFFAOYSA-N -1 0 339.391 3.833 20 0 EHADRM COc1c(NC(=O)C[C@H](C)c2ccccc2C)cccc1C(=O)[O-] ZINC000908506254 981319256 /nfs/dbraw/zinc/31/92/56/981319256.db2.gz DCRQCJCKCYIUGH-ZDUSSCGKSA-N -1 0 327.380 3.834 20 0 EHADRM CC(C)(O)C1CCC(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC000908689223 981339789 /nfs/dbraw/zinc/33/97/89/981339789.db2.gz VMFOYVVDIAYBBJ-UHFFFAOYSA-N -1 0 339.819 3.554 20 0 EHADRM O=C([O-])C12CCC(C(=O)Nc3cccc(C(F)(F)F)c3)(CC1)C2 ZINC000908687501 981339800 /nfs/dbraw/zinc/33/98/00/981339800.db2.gz HLQPOQCCWJFLAM-UHFFFAOYSA-N -1 0 327.302 3.679 20 0 EHADRM O=C([O-])C12CCC(C(=O)NCC3(c4ccccc4)CCC3)(CC1)CC2 ZINC000908711258 981344446 /nfs/dbraw/zinc/34/44/46/981344446.db2.gz SDUDLRDYXBEWBO-UHFFFAOYSA-N -1 0 341.451 3.650 20 0 EHADRM Cc1cccc([C@H]2CCCCCN2C(=O)c2ccoc2CC(=O)[O-])c1 ZINC000908809087 981366737 /nfs/dbraw/zinc/36/67/37/981366737.db2.gz IVRRZXRQAXQWQI-QGZVFWFLSA-N -1 0 341.407 3.973 20 0 EHADRM CC(C)(CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2)Cc1ccccc1 ZINC000908816914 981367285 /nfs/dbraw/zinc/36/72/85/981367285.db2.gz DCSWEAJXOPFNRV-UHFFFAOYSA-N -1 0 343.467 3.797 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NC(c1cccs1)c1cccs1 ZINC000908819037 981368082 /nfs/dbraw/zinc/36/80/82/981368082.db2.gz BSDDIXYTIKSHFK-NWDGAFQWSA-N -1 0 349.477 3.906 20 0 EHADRM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000908832520 981370367 /nfs/dbraw/zinc/37/03/67/981370367.db2.gz GVNYZFHJCLFXLT-HQBWRIINSA-N -1 0 341.451 3.816 20 0 EHADRM Cc1c(NC(=O)[C@@H](C)[C@@H]2OCCc3sccc32)cccc1C(=O)[O-] ZINC000908845031 981376549 /nfs/dbraw/zinc/37/65/49/981376549.db2.gz URZQVHXXYWRJHR-ZBEGNZNMSA-N -1 0 345.420 3.643 20 0 EHADRM Cc1c(NC(=O)[C@@H]2CC(C)(C)Oc3ccccc32)cccc1C(=O)[O-] ZINC000908845454 981376610 /nfs/dbraw/zinc/37/66/10/981376610.db2.gz WVXUBQIWIILNRT-OAHLLOKOSA-N -1 0 339.391 3.977 20 0 EHADRM C/C=C(/CC)C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000908857216 981378825 /nfs/dbraw/zinc/37/88/25/981378825.db2.gz RRZSCGRJGFEXDS-JUSXSOTRSA-N -1 0 345.317 3.574 20 0 EHADRM CCC[C@@H]1C[C@@H](C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)CCO1 ZINC000908898282 981384114 /nfs/dbraw/zinc/38/41/14/981384114.db2.gz HATVJKRQNKUKOP-DZGCQCFKSA-N -1 0 349.427 3.706 20 0 EHADRM CN(C(=O)CC(C)(C)CC(F)(F)F)[C@@H](C(=O)[O-])c1ccccc1 ZINC000909002495 981400003 /nfs/dbraw/zinc/40/00/03/981400003.db2.gz TUGUSNNDWPESPB-CYBMUJFWSA-N -1 0 331.334 3.639 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Cc1cccc(C(F)F)c1)c1ccccc1 ZINC000909062480 981408860 /nfs/dbraw/zinc/40/88/60/981408860.db2.gz HKNLHSGOSZQMHC-PXAZEXFGSA-N -1 0 347.361 3.745 20 0 EHADRM CCC[C@](C)(NC(=O)CCCOc1cccc2ccccc21)C(=O)[O-] ZINC001595546689 981413209 /nfs/dbraw/zinc/41/32/09/981413209.db2.gz FTHJSADMSAXYAP-FQEVSTJZSA-N -1 0 343.423 3.758 20 0 EHADRM CC1(/C=C/C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CCOCC1 ZINC000909121083 981421333 /nfs/dbraw/zinc/42/13/33/981421333.db2.gz ANWIZDWLLIHAJE-SNAWJCMRSA-N -1 0 345.420 3.911 20 0 EHADRM CCC[C@@](C)(NC(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC001595552737 981424391 /nfs/dbraw/zinc/42/43/91/981424391.db2.gz CFVXITBAFHDTFI-OAHLLOKOSA-N -1 0 325.817 3.928 20 0 EHADRM Cc1c(C(=O)Nc2cc(C(=O)[O-])ccc2F)cnn1C1CCCCC1 ZINC000909320212 981467626 /nfs/dbraw/zinc/46/76/26/981467626.db2.gz GIPFYAIHJMTAQN-UHFFFAOYSA-N -1 0 345.374 3.786 20 0 EHADRM Cc1c(C(=O)Nc2cc(C(=O)[O-])cs2)cnn1C1CCCCC1 ZINC000909515423 981522287 /nfs/dbraw/zinc/52/22/87/981522287.db2.gz LVGBZDDGGBNSMS-UHFFFAOYSA-N -1 0 333.413 3.709 20 0 EHADRM CSc1ccccc1CC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000909522970 981529185 /nfs/dbraw/zinc/52/91/85/981529185.db2.gz IZSPYYBQCMKGPV-ZDUSSCGKSA-N -1 0 343.448 3.853 20 0 EHADRM C[C@]1(NC(=O)C2CCC(C(F)(F)F)CC2)CCCC[C@H]1C(=O)[O-] ZINC000909538875 981536408 /nfs/dbraw/zinc/53/64/08/981536408.db2.gz UQPALYLANJGWLL-UFDFEIGVSA-N -1 0 335.366 3.505 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N1CCCC[C@@H]1CCc1ccccc1 ZINC000909545857 981537985 /nfs/dbraw/zinc/53/79/85/981537985.db2.gz OQWOQSWJJCBJOB-MRXNPFEDSA-N -1 0 341.407 3.534 20 0 EHADRM CCC[C@H](CC)NC(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001595587393 981541179 /nfs/dbraw/zinc/54/11/79/981541179.db2.gz KPTDKUDWKRXRFB-STQMWFEESA-N -1 0 346.349 3.866 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)c1ccoc1CC(=O)[O-])CCC2 ZINC000909557793 981541672 /nfs/dbraw/zinc/54/16/72/981541672.db2.gz CLCUUSIVZZUFOJ-QGZVFWFLSA-N -1 0 341.407 3.838 20 0 EHADRM CCC[C@H](CCc1ccccc1)NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001595590847 981546318 /nfs/dbraw/zinc/54/63/18/981546318.db2.gz DBQGOTUXOODOTG-RCCFBDPRSA-N -1 0 346.471 3.731 20 0 EHADRM CCC[C@@H](NC(=O)Cc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1F ZINC001595599075 981570608 /nfs/dbraw/zinc/57/06/08/981570608.db2.gz TUPSJLXRGXSJIG-QGZVFWFLSA-N -1 0 347.361 3.863 20 0 EHADRM CCC[C@@H](NC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)C1CCC1 ZINC001595600331 981578896 /nfs/dbraw/zinc/57/88/96/981578896.db2.gz OWJDYBFUINZDSK-OAHLLOKOSA-N -1 0 329.400 3.956 20 0 EHADRM CCC[C@H](NC(=O)Nc1ccc(CC(=O)[O-])c(F)c1)C1CCCC1 ZINC001595600313 981579083 /nfs/dbraw/zinc/57/90/83/981579083.db2.gz NTJMJWAJLUPHCR-INIZCTEOSA-N -1 0 336.407 3.933 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@H]3CC[C@H](Cc4ccccc4)C3)(CC1)C2 ZINC000909728628 981582830 /nfs/dbraw/zinc/58/28/30/981582830.db2.gz FJWDLYPQHKOKRW-UUBYJMPYSA-N -1 0 341.451 3.549 20 0 EHADRM CCC[C@H](NS(=O)(=O)c1cccc(Cl)c1C(=O)[O-])C(C)(C)C ZINC001595605009 981590991 /nfs/dbraw/zinc/59/09/91/981590991.db2.gz VROCCTZGQKCHRI-LBPRGKRZSA-N -1 0 347.864 3.531 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N(Cc1ccccc1)[C@H](C)Cc1ccccc1 ZINC001594741438 981611189 /nfs/dbraw/zinc/61/11/89/981611189.db2.gz PDFFZMQHWWHFSM-VQIMIIECSA-N -1 0 339.435 3.757 20 0 EHADRM C[C@H](c1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C(=O)[O-])cc1)C(F)(F)F ZINC000909780010 981617670 /nfs/dbraw/zinc/61/76/70/981617670.db2.gz IQTDZMQXVJYTBJ-GYSYKLTISA-N -1 0 343.345 3.678 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N1CCc2c(Cl)cc(Cl)cc2[C@H]1C ZINC001594744825 981626617 /nfs/dbraw/zinc/62/66/17/981626617.db2.gz BMGPTESQAYLPAT-SCZZXKLOSA-N -1 0 330.211 3.550 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)CCC[C@H](O)c2ccccc2)c1 ZINC000909835335 981654138 /nfs/dbraw/zinc/65/41/38/981654138.db2.gz RQDWOMHOEZEJME-KSSFIOAISA-N -1 0 341.407 3.717 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1ccc(Oc2cccc(C)c2C)nc1 ZINC001594759110 981685071 /nfs/dbraw/zinc/68/50/71/981685071.db2.gz CFYCMFPLEDBWCL-CQSZACIVSA-N -1 0 328.368 3.540 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1nc(-c2ccc(F)c(Cl)c2)cs1 ZINC001594762307 981697884 /nfs/dbraw/zinc/69/78/84/981697884.db2.gz SYDKMIDSDPCGDT-MRVPVSSYSA-N -1 0 342.779 3.652 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2coc3cc(F)ccc23)[C@@H]2CCCC[C@H]12 ZINC000909960970 981714450 /nfs/dbraw/zinc/71/44/50/981714450.db2.gz LTSRASHNCJQXJF-XNRPHZJLSA-N -1 0 345.370 3.677 20 0 EHADRM CCCC1CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CC1 ZINC001595623304 981719658 /nfs/dbraw/zinc/71/96/58/981719658.db2.gz JPKBJTPUEBBNGD-DLBZAZTESA-N -1 0 330.428 3.919 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)Cc1coc2ccccc12)c1ccccc1 ZINC001594768297 981729423 /nfs/dbraw/zinc/72/94/23/981729423.db2.gz UVBLZIZRWLMPMS-KRWDZBQOSA-N -1 0 337.375 3.872 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CNC(=O)c2ccoc2CC(=O)[O-])c2ccccc21 ZINC000910022493 981736789 /nfs/dbraw/zinc/73/67/89/981736789.db2.gz OBXBVRPSYJQRKO-GUYCJALGSA-N -1 0 341.407 3.564 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1cccc2ccncc21)c1ccccc1 ZINC001594770625 981741297 /nfs/dbraw/zinc/74/12/97/981741297.db2.gz KVINKDGYSIXPSG-SFHVURJKSA-N -1 0 334.375 3.745 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)C1(C3CCCCC3)CC1)C2 ZINC000910071448 981752312 /nfs/dbraw/zinc/75/23/12/981752312.db2.gz VPPSKZOWNRPODF-UHFFFAOYSA-N -1 0 327.424 3.630 20 0 EHADRM CC[C@H](C(=O)OCc1ccccc1C(=O)[O-])c1ccc(OC)cc1 ZINC001594775300 981757646 /nfs/dbraw/zinc/75/76/46/981757646.db2.gz LLQCSOQQTAPOLA-INIZCTEOSA-N -1 0 328.364 3.630 20 0 EHADRM C/C(=C\C1CCC(C)CC1)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000910153953 981767725 /nfs/dbraw/zinc/76/77/25/981767725.db2.gz AVNYKHBYNABQGV-XRGVTNESSA-N -1 0 336.457 3.791 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)Cc1ccc2c(c1)CCCC2 ZINC001594779883 981782099 /nfs/dbraw/zinc/78/20/99/981782099.db2.gz BIFQYLZZOBOILQ-OAQYLSRUSA-N -1 0 343.467 3.600 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)/C=C(/C)c1ccccc1OC ZINC001594782540 981791454 /nfs/dbraw/zinc/79/14/54/981791454.db2.gz RGQFWWMCEJXNTL-XYELWLDHSA-N -1 0 345.439 3.590 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)c(Cl)c1C ZINC000910239335 981806360 /nfs/dbraw/zinc/80/63/60/981806360.db2.gz JYOMSRJHWZLUJE-VNHYZAJKSA-N -1 0 335.831 3.672 20 0 EHADRM CCCC[C@@H](C)N(C)S(=O)(=O)c1ccc(C(=O)[O-])c2ccccc21 ZINC001595631254 981835629 /nfs/dbraw/zinc/83/56/29/981835629.db2.gz INBGUTIKPAMSPN-CYBMUJFWSA-N -1 0 349.452 3.737 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cc(C)oc1C(F)(F)F ZINC001594791328 981848900 /nfs/dbraw/zinc/84/89/00/981848900.db2.gz IBBJVBHZKYFXKY-HNNXBMFYSA-N -1 0 347.333 3.712 20 0 EHADRM CCCC[C@H](CCC)CNC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001595632854 981861895 /nfs/dbraw/zinc/86/18/95/981861895.db2.gz TYWBRZHKUOYFPS-ZDUSSCGKSA-N -1 0 338.423 3.930 20 0 EHADRM CCCC[C@H](CCC)CNS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001595632895 981862226 /nfs/dbraw/zinc/86/22/26/981862226.db2.gz VHWHVVCQADCORG-AWEZNQCLSA-N -1 0 341.473 3.578 20 0 EHADRM CCCC[C@@H](CCC)NC(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001595633372 981870445 /nfs/dbraw/zinc/87/04/45/981870445.db2.gz JARSMPODEVMQSI-LLVKDONJSA-N -1 0 327.812 3.914 20 0 EHADRM Cc1c2cccc(Cl)c2[nH]c1C(=O)N[C@](C)(CC(=O)[O-])C1CC1 ZINC000910318448 981872467 /nfs/dbraw/zinc/87/24/67/981872467.db2.gz LXIDJDCQIYXTBL-QGZVFWFLSA-N -1 0 334.803 3.503 20 0 EHADRM CCC(C)(C)C1CCC(CC(=O)N[C@H](C(=O)[O-])c2ccccn2)CC1 ZINC001594796565 981878412 /nfs/dbraw/zinc/87/84/12/981878412.db2.gz FAVIHQOZWZZPHL-JMLCCBQJSA-N -1 0 346.471 3.956 20 0 EHADRM CCC(C)(C)C1CCC(CC(=O)Nc2cnn(CC(=O)[O-])c2C)CC1 ZINC001594796716 981880528 /nfs/dbraw/zinc/88/05/28/981880528.db2.gz JCZQZGFDEVAWAN-UHFFFAOYSA-N -1 0 349.475 3.847 20 0 EHADRM CCCC[C@@H](NC(=O)c1ccc(Oc2ncccc2C)cc1)C(=O)[O-] ZINC001595636549 981918755 /nfs/dbraw/zinc/91/87/55/981918755.db2.gz AOJOQDOVFYQHSZ-MRXNPFEDSA-N -1 0 342.395 3.556 20 0 EHADRM CCCC[C@@H](N[C@@H](C)c1nc(-c2ccc(CC)cc2)no1)C(=O)[O-] ZINC001595637603 981933110 /nfs/dbraw/zinc/93/31/10/981933110.db2.gz MIHWSHHBYPYSAZ-SWLSCSKDSA-N -1 0 331.416 3.593 20 0 EHADRM CCCC[C@H](OC(=O)c1cc2ccccc2cc1NC(C)=O)C(=O)[O-] ZINC001595645813 981992949 /nfs/dbraw/zinc/99/29/49/981992949.db2.gz VEACGIRKXRAYOL-KRWDZBQOSA-N -1 0 343.379 3.598 20 0 EHADRM CCCC[C@H](S[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)C(C)C)C(=O)[O-] ZINC001595652708 982035986 /nfs/dbraw/zinc/03/59/86/982035986.db2.gz WNRWGINLDFLCJD-XUWVNRHRSA-N -1 0 343.533 3.892 20 0 EHADRM O=C([O-])CCc1csc(NC(=O)[C@H]2CCC[C@H]2c2ccccc2)n1 ZINC000910645093 982037734 /nfs/dbraw/zinc/03/77/34/982037734.db2.gz VIRFIONYGRXZOQ-GJZGRUSLSA-N -1 0 344.436 3.683 20 0 EHADRM CCCC[C@H](SCC(=O)Nc1ccc(Cl)c(F)c1)C(=O)[O-] ZINC001595654082 982038792 /nfs/dbraw/zinc/03/87/92/982038792.db2.gz ALENIPVLCSELSY-LBPRGKRZSA-N -1 0 333.812 3.794 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)Cc2ccc(C(=O)[O-])cc2)c1C1CC1 ZINC000910648597 982040929 /nfs/dbraw/zinc/04/09/29/982040929.db2.gz LCNBCTSCFJZIKK-LBPRGKRZSA-N -1 0 341.411 3.611 20 0 EHADRM CC[C@@H](C)n1ncc(NC(=O)/C=C\c2cc(C(=O)[O-])co2)c1C1CC1 ZINC000910649382 982041701 /nfs/dbraw/zinc/04/17/01/982041701.db2.gz VHUPJMPOLSVPKF-JMEBYUIHSA-N -1 0 343.383 3.675 20 0 EHADRM CCCC[C@@H](SCC(=O)N[C@H](c1ccccc1)C1CC1)C(=O)[O-] ZINC001595655119 982042543 /nfs/dbraw/zinc/04/25/43/982042543.db2.gz HHYLSVCYKOVRIL-NVXWUHKLSA-N -1 0 335.469 3.631 20 0 EHADRM Cc1c(NC(=O)c2ccc(C)c(C(=O)[O-])c2)cnn1C1CCCC1 ZINC000910655256 982043505 /nfs/dbraw/zinc/04/35/05/982043505.db2.gz IUOHNEYOZAAMCJ-UHFFFAOYSA-N -1 0 327.384 3.566 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)Nc1nc(C2CCC2)cs1 ZINC000910656581 982044774 /nfs/dbraw/zinc/04/47/74/982044774.db2.gz OJUYGLCYEACUQF-UHFFFAOYSA-N -1 0 330.409 3.680 20 0 EHADRM Cc1cc(NC(=O)c2ccc(C(=O)[O-])cc2)nn1C1CCCCC1 ZINC000910664846 982047682 /nfs/dbraw/zinc/04/76/82/982047682.db2.gz KBHKKYBAIFBYIS-UHFFFAOYSA-N -1 0 327.384 3.647 20 0 EHADRM CCCC[C@@H](SCC(=O)Nc1ccc(Cl)cc1C)C(=O)[O-] ZINC001595656124 982050537 /nfs/dbraw/zinc/05/05/37/982050537.db2.gz UQMFKNFUXTWPMN-CYBMUJFWSA-N -1 0 329.849 3.964 20 0 EHADRM CCCC[C@@H](SCc1nc(Cc2ccc(F)cc2)no1)C(=O)[O-] ZINC001595657883 982066461 /nfs/dbraw/zinc/06/64/61/982066461.db2.gz UZGMECICDUVHBB-CYBMUJFWSA-N -1 0 338.404 3.676 20 0 EHADRM CC(C)C[C@@H](C)OCCC(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC000910700448 982070533 /nfs/dbraw/zinc/07/05/33/982070533.db2.gz ZFJMMKRVAYTLSI-LLVKDONJSA-N -1 0 342.461 3.745 20 0 EHADRM CCCCC1CCC(CNC(=O)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC001595660482 982070739 /nfs/dbraw/zinc/07/07/39/982070739.db2.gz GMBQCJSMBVDPLA-UHFFFAOYSA-N -1 0 347.455 3.876 20 0 EHADRM CCCCCC(C)(C)C(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1 ZINC001595662475 982078798 /nfs/dbraw/zinc/07/87/98/982078798.db2.gz FSDRLFJJQFULKJ-UHFFFAOYSA-N -1 0 335.400 3.716 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)c2cccc(F)c2C)nc1C(=O)[O-] ZINC000910717694 982079899 /nfs/dbraw/zinc/07/98/99/982079899.db2.gz FUMYWYKQBSVRPZ-ZDUSSCGKSA-N -1 0 348.399 3.575 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)c2cc(C)ccc2C)nc1C(=O)[O-] ZINC000910721332 982084054 /nfs/dbraw/zinc/08/40/54/982084054.db2.gz DSHPZEMDCZNQEG-CQSZACIVSA-N -1 0 344.436 3.744 20 0 EHADRM C/C=C(/C=C/C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1)CC ZINC000910721921 982084982 /nfs/dbraw/zinc/08/49/82/982084982.db2.gz ODDRDKBCFCZIST-JZXXMDGMSA-N -1 0 334.441 3.726 20 0 EHADRM C/C(=C/C(C)(C)C)C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910723787 982086953 /nfs/dbraw/zinc/08/69/53/982086953.db2.gz OYCMEORFFZFXMF-ZWLSGLHFSA-N -1 0 336.457 3.806 20 0 EHADRM CC(C)c1ncc(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)s1 ZINC000910732379 982094610 /nfs/dbraw/zinc/09/46/10/982094610.db2.gz AEUJWKIXXBDWFU-UHFFFAOYSA-N -1 0 337.426 3.551 20 0 EHADRM Cc1ccc(CCC(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)cc1 ZINC000910733309 982095563 /nfs/dbraw/zinc/09/55/63/982095563.db2.gz BMJGIAIMONSMNR-UHFFFAOYSA-N -1 0 330.409 3.598 20 0 EHADRM CCCCC[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1C)C(=O)[O-] ZINC001595670448 982118255 /nfs/dbraw/zinc/11/82/55/982118255.db2.gz PUNFQYGLKYZOGY-JSGCOSHPSA-N -1 0 341.835 3.565 20 0 EHADRM CCCCC[C@H](NC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001595671109 982123279 /nfs/dbraw/zinc/12/32/79/982123279.db2.gz ZMOXPYPREHKNKP-STQMWFEESA-N -1 0 349.324 3.866 20 0 EHADRM CCCCC[C@@H](NC(=O)CCc1ccc2ccccc2c1)C(=O)[O-] ZINC001595672500 982134345 /nfs/dbraw/zinc/13/43/45/982134345.db2.gz QBSUTQDVRQFCIE-GOSISDBHSA-N -1 0 327.424 3.922 20 0 EHADRM CCCCC[C@H](NC(=O)CCc1ccccc1C(F)(F)F)C(=O)[O-] ZINC001595672576 982135679 /nfs/dbraw/zinc/13/56/79/982135679.db2.gz RCKYXXBLKJOXLE-AWEZNQCLSA-N -1 0 345.361 3.788 20 0 EHADRM CC/C(C)=C\C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC001594860668 982140660 /nfs/dbraw/zinc/14/06/60/982140660.db2.gz NPSUTCOPFFJJQI-RXEWJAMOSA-N -1 0 325.408 3.556 20 0 EHADRM CCCCC[C@@H](NC(=O)c1cc(Cl)nc(C(C)(C)C)c1)C(=O)[O-] ZINC001595677308 982151132 /nfs/dbraw/zinc/15/11/32/982151132.db2.gz WVVFSGGIPUWTHC-GFCCVEGCSA-N -1 0 340.851 3.796 20 0 EHADRM C[C@@H]1CN(C(=O)C(C)(C)CCCc2ccccc2)C[C@H]1CC(=O)[O-] ZINC000910861620 982151627 /nfs/dbraw/zinc/15/16/27/982151627.db2.gz VRYCHIMMHCFANE-NVXWUHKLSA-N -1 0 331.456 3.605 20 0 EHADRM CC/C(C)=C(\C)C(=O)N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001594862237 982153959 /nfs/dbraw/zinc/15/39/59/982153959.db2.gz VDLOXHCCLPTQEP-WTNCMQEWSA-N -1 0 329.318 3.694 20 0 EHADRM CSc1ccc(NC(=O)c2cnc(C)nc2C(C)C)cc1C(=O)[O-] ZINC000910946539 982171767 /nfs/dbraw/zinc/17/17/67/982171767.db2.gz PKIZTRRVLBTMSC-UHFFFAOYSA-N -1 0 345.424 3.581 20 0 EHADRM CCCCC[C@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)C(C)(C)C ZINC001595686537 982175554 /nfs/dbraw/zinc/17/55/54/982175554.db2.gz CSSUWIIGHZRHQO-HNNXBMFYSA-N -1 0 341.473 3.658 20 0 EHADRM CCCCC[C@H]1CCCCN1C(=O)NCc1cc(C(=O)[O-])c(C)n1C ZINC001595689582 982187437 /nfs/dbraw/zinc/18/74/37/982187437.db2.gz DGRRILWZUGNUKD-HNNXBMFYSA-N -1 0 349.475 3.676 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000911087931 982231736 /nfs/dbraw/zinc/23/17/36/982231736.db2.gz VRHWTMFXUNQSOE-UHFFFAOYSA-N -1 0 328.368 3.529 20 0 EHADRM CC[C@H](C)[C@@H](C)C(=O)Oc1ccc(Br)cc1C(=O)[O-] ZINC001594882443 982248657 /nfs/dbraw/zinc/24/86/57/982248657.db2.gz XDVFOUSXUBMVDL-DTWKUNHWSA-N -1 0 329.190 3.735 20 0 EHADRM CCCCCC[C@H](CC)C(=O)N[C@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC001595699197 982257055 /nfs/dbraw/zinc/25/70/55/982257055.db2.gz YBZBUCLHRFSQRA-KSSFIOAISA-N -1 0 347.455 3.860 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)Nc1ccccc1N1CCCCCC1 ZINC000911150820 982259910 /nfs/dbraw/zinc/25/99/10/982259910.db2.gz AKQUUEMDNSHETE-UHFFFAOYSA-N -1 0 342.395 3.919 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)/C=C\c1ccc(F)c2ccccc12)C(=O)[O-] ZINC001594884600 982264747 /nfs/dbraw/zinc/26/47/47/982264747.db2.gz WYPPUYOUQXRKGZ-JTDZUGHHSA-N -1 0 329.371 3.608 20 0 EHADRM CCCCCCO[C@H](C)C(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC001595711207 982298333 /nfs/dbraw/zinc/29/83/33/982298333.db2.gz RNJKLGDQGJPXJD-CQSZACIVSA-N -1 0 333.428 3.649 20 0 EHADRM CCCCCCOCC(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001595711258 982298675 /nfs/dbraw/zinc/29/86/75/982298675.db2.gz SRNHYUYSARQJBT-KRWDZBQOSA-N -1 0 334.412 3.902 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2c(F)cccc2NC2CC2)CCCC1 ZINC000911237899 982307159 /nfs/dbraw/zinc/30/71/59/982307159.db2.gz XSMYQGFCKPPUNT-UHFFFAOYSA-N -1 0 334.391 3.764 20 0 EHADRM CCCCCCOc1ccc(C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])cc1 ZINC001595715688 982314785 /nfs/dbraw/zinc/31/47/85/982314785.db2.gz ZBTACDHUYSGRFJ-UZLBHIALSA-N -1 0 345.439 3.725 20 0 EHADRM CCCCCOc1ccc(C(=O)N[C@@](C)(CC(=O)[O-])C2CC2)cc1 ZINC001595722198 982339620 /nfs/dbraw/zinc/33/96/20/982339620.db2.gz XJSCJUQMLCCGLC-IBGZPJMESA-N -1 0 333.428 3.629 20 0 EHADRM O=C([O-])CCCC(=O)Nc1cccc(CC[C@H](O)c2ccccc2)c1 ZINC000911341009 982367532 /nfs/dbraw/zinc/36/75/32/982367532.db2.gz HGTKUAAWEYAYHC-SFHVURJKSA-N -1 0 341.407 3.546 20 0 EHADRM CCCCN(C(=O)c1[nH]c2ccccc2c1CC(=O)[O-])[C@H](C)CC ZINC001595732374 982368954 /nfs/dbraw/zinc/36/89/54/982368954.db2.gz WWGZZTXQGUWLTC-CYBMUJFWSA-N -1 0 330.428 3.836 20 0 EHADRM CCCCN(C)c1ccc(C(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])cc1 ZINC001595740263 982394780 /nfs/dbraw/zinc/39/47/80/982394780.db2.gz CVQYBLUYHLMQRM-FXAWDEMLSA-N -1 0 346.471 3.686 20 0 EHADRM O=C([O-])CC1(CC(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCCC1 ZINC000911391115 982414955 /nfs/dbraw/zinc/41/49/55/982414955.db2.gz UZKBEELVKALSQL-CHWSQXEVSA-N -1 0 349.393 3.897 20 0 EHADRM CCCCNc1ccccc1C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001595764044 982477508 /nfs/dbraw/zinc/47/75/08/982477508.db2.gz ZHMHTUXPOBBSAY-UHFFFAOYSA-N -1 0 332.444 3.664 20 0 EHADRM Cc1noc([N-]C(=O)c2ccc(-c3nc4ccccc4s3)o2)n1 ZINC000042762455 1014847021 /nfs/dbraw/zinc/84/70/21/1014847021.db2.gz YBYKAXIBNDLKII-UHFFFAOYSA-N -1 0 326.337 3.500 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000911565024 982505546 /nfs/dbraw/zinc/50/55/46/982505546.db2.gz SPTCTZZZZDJXEI-QVKFZJNVSA-N -1 0 337.419 3.662 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N[C@H]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000911569712 982509086 /nfs/dbraw/zinc/50/90/86/982509086.db2.gz GAEFLBRIKWUOBD-YJBOKZPZSA-N -1 0 341.382 3.519 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N1CC2(CCCC2)c2cccc(F)c21 ZINC000911589688 982520561 /nfs/dbraw/zinc/52/05/61/982520561.db2.gz SOYARWQIMFWUAA-UHFFFAOYSA-N -1 0 343.354 3.518 20 0 EHADRM CC[C@H](C)[C@H](OC)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001594927348 982523899 /nfs/dbraw/zinc/52/38/99/982523899.db2.gz STHKYNUHKXVOPF-OWQGQXMQSA-N -1 0 349.471 3.677 20 0 EHADRM CCCCOc1ccc(CNc2ncncc2C(=O)[O-])cc1Cl ZINC001595775480 982535806 /nfs/dbraw/zinc/53/58/06/982535806.db2.gz GUMVSGOJIGAQSO-UHFFFAOYSA-N -1 0 335.791 3.619 20 0 EHADRM CCCCOc1ccc(C(=O)Nc2cccc(C(=O)[O-])n2)c(Cl)c1 ZINC001595777376 982546419 /nfs/dbraw/zinc/54/64/19/982546419.db2.gz UHVGALDDWLNHHX-UHFFFAOYSA-N -1 0 348.786 3.864 20 0 EHADRM CCCCOc1ccccc1CNCc1ccc(Cl)c(C(=O)[O-])n1 ZINC001595780869 982555533 /nfs/dbraw/zinc/55/55/33/982555533.db2.gz JGKMDEFWBGAPFL-UHFFFAOYSA-N -1 0 348.830 3.902 20 0 EHADRM CCCCS[C@H](C)C(=O)N1CCCCc2cc(C(=O)[O-])ccc21 ZINC001595786161 982574169 /nfs/dbraw/zinc/57/41/69/982574169.db2.gz PZBAPVKDHULZTJ-CYBMUJFWSA-N -1 0 335.469 3.976 20 0 EHADRM CC/C(=C/C(=O)N[C@@H](CC(=O)[O-])c1ccncc1)c1ccc(C)cc1 ZINC000911658767 982588193 /nfs/dbraw/zinc/58/81/93/982588193.db2.gz HHBPYROADIRMTG-NZHZHZHDSA-N -1 0 338.407 3.516 20 0 EHADRM CC(C)(CC(=O)N[C@H](CC(=O)[O-])c1ccncc1)C1CCCCC1 ZINC000911662665 982592703 /nfs/dbraw/zinc/59/27/03/982592703.db2.gz JDOUJSWXHPEDLX-MRXNPFEDSA-N -1 0 332.444 3.710 20 0 EHADRM CCCCc1ccc(CC(=O)N(CC(=O)[O-])C2CCCCC2)cc1 ZINC001595793759 982596258 /nfs/dbraw/zinc/59/62/58/982596258.db2.gz LGIFCBIWXLGWAC-UHFFFAOYSA-N -1 0 331.456 3.818 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)CCOc1cc(C)ccc1C(C)C)C(=O)[O-] ZINC001594937931 982603385 /nfs/dbraw/zinc/60/33/85/982603385.db2.gz BOHSTYVIDYKOEU-YOEHRIQHSA-N -1 0 349.471 3.893 20 0 EHADRM CO[C@H]1CCC[C@@H](CC(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)C1 ZINC000911734521 982619206 /nfs/dbraw/zinc/61/92/06/982619206.db2.gz UMIAPHLSDIAWAN-KGLIPLIRSA-N -1 0 349.427 3.706 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC001594942420 982619419 /nfs/dbraw/zinc/61/94/19/982619419.db2.gz PSBNQMQBBGOIBN-ZANVPECISA-N -1 0 332.227 3.542 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)c1ccnc2cc(Cl)ccc21)C(=O)[O-] ZINC001594945702 982634766 /nfs/dbraw/zinc/63/47/66/982634766.db2.gz GDHFUMDXOROIJD-BONVTDFDSA-N -1 0 334.803 3.507 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)c1ccc(OC(F)F)c(Cl)c1)C(=O)[O-] ZINC001594946949 982645036 /nfs/dbraw/zinc/64/50/36/982645036.db2.gz UWXSKIBRDHTOCI-GZMMTYOYSA-N -1 0 349.761 3.561 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCc2ccc(Cl)s2)ccc1F ZINC000916047791 982672088 /nfs/dbraw/zinc/67/20/88/982672088.db2.gz UUYXHVHSSSGZCI-UHFFFAOYSA-N -1 0 327.764 3.810 20 0 EHADRM CCCN(C(=O)/C=C/c1cc(C(=O)[O-])co1)c1ccc(CC)cc1 ZINC001595817648 982682224 /nfs/dbraw/zinc/68/22/24/982682224.db2.gz WIKUBVVVHFVKCN-MDZDMXLPSA-N -1 0 327.380 3.997 20 0 EHADRM CCCN(C(=O)Cc1csc2sc(C)cc12)[C@H](C)C(=O)[O-] ZINC001595820637 982686281 /nfs/dbraw/zinc/68/62/81/982686281.db2.gz HXCLHTXSGWKAFW-SNVBAGLBSA-N -1 0 325.455 3.525 20 0 EHADRM CCCN(C(=O)Cc1cc2c(ccc3ccccc23)o1)[C@H](C)C(=O)[O-] ZINC001595822941 982696080 /nfs/dbraw/zinc/69/60/80/982696080.db2.gz TUBSPRQTZXKPHB-CYBMUJFWSA-N -1 0 339.391 3.840 20 0 EHADRM CC[C@H](C)CCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001594958539 982698482 /nfs/dbraw/zinc/69/84/82/982698482.db2.gz CHGSATRMQAXJQE-KSSFIOAISA-N -1 0 344.455 3.886 20 0 EHADRM CC[C@H](C)CCCCC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001594959046 982703032 /nfs/dbraw/zinc/70/30/32/982703032.db2.gz JKFASYOHXABMJM-OXJNMPFZSA-N -1 0 331.456 3.848 20 0 EHADRM CCCN(C(=O)c1cc(C(=O)[O-])oc1C)[C@@H](C)c1ccccc1OC ZINC001595824569 982705193 /nfs/dbraw/zinc/70/51/93/982705193.db2.gz MABNKLXUNKKVAR-LBPRGKRZSA-N -1 0 345.395 3.908 20 0 EHADRM CC[C@@H](C)CCCCC(=O)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001594959585 982708812 /nfs/dbraw/zinc/70/88/12/982708812.db2.gz YOTLCOLLUYKPTD-FHLIZLRMSA-N -1 0 347.455 3.625 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@]2(c3ccccc3)CCCO2)cc1 ZINC000923081509 982712179 /nfs/dbraw/zinc/71/21/79/982712179.db2.gz VEQGYOGBOBOQRV-JLTOFOAXSA-N -1 0 339.391 3.519 20 0 EHADRM CCCN(C(=O)c1ccc(/C=C\C(=O)[O-])o1)[C@@H]1CCc2ccccc21 ZINC001595827379 982713226 /nfs/dbraw/zinc/71/32/26/982713226.db2.gz QUMCVCZZZFLJAR-QJWNTBNXSA-N -1 0 339.391 3.917 20 0 EHADRM CC[C@@H](C)CN(C)C(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001594961087 982713935 /nfs/dbraw/zinc/71/39/35/982713935.db2.gz UJDHONKVUAIESJ-SECBINFHSA-N -1 0 343.221 3.657 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)c1cnn(CC(C)C)c1C1CC1 ZINC000923093517 982718283 /nfs/dbraw/zinc/71/82/83/982718283.db2.gz BQHWIASZUFPHQI-UHFFFAOYSA-N -1 0 347.440 3.737 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@@H](C)Sc1ccccc1Cl ZINC001594968146 982731938 /nfs/dbraw/zinc/73/19/38/982731938.db2.gz HLVLWEKTROSCBF-GHMZBOCLSA-N -1 0 329.849 3.532 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@H](C)Cc1ccc(Cl)cc1Cl ZINC001594968390 982734464 /nfs/dbraw/zinc/73/44/64/982734464.db2.gz MWGPVBARCGZMST-GHMZBOCLSA-N -1 0 346.254 3.884 20 0 EHADRM CC(C)[C@H](CC(=O)NCCc1ccccc1C(=O)[O-])c1ccccc1 ZINC000923118805 982737693 /nfs/dbraw/zinc/73/76/93/982737693.db2.gz GWSHYDCDLUXHMK-IBGZPJMESA-N -1 0 339.435 3.873 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)CCCCc1ccc(Cl)cc1 ZINC001594971462 982740602 /nfs/dbraw/zinc/74/06/02/982740602.db2.gz HQEJEJRISCGGIA-ZDUSSCGKSA-N -1 0 325.836 3.765 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)Cc1cc(Cl)cc2ccccc21 ZINC001594974665 982746101 /nfs/dbraw/zinc/74/61/01/982746101.db2.gz KKQUJLHQCVNNQP-GFCCVEGCSA-N -1 0 333.815 3.747 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC001594977122 982754625 /nfs/dbraw/zinc/75/46/25/982754625.db2.gz FQDVODPNLDTLRI-MRVPVSSYSA-N -1 0 337.725 3.684 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000923154297 982769115 /nfs/dbraw/zinc/76/91/15/982769115.db2.gz NLFMJMAQRKQEHP-BYNBJNPRSA-N -1 0 337.419 3.655 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)CCCOc1ccc(C(C)(C)C)cc1C ZINC001595848521 982778613 /nfs/dbraw/zinc/77/86/13/982778613.db2.gz UXYKUUVXNVUJNZ-UHFFFAOYSA-N -1 0 349.471 3.775 20 0 EHADRM CC[C@H](C)N1C(=O)N[C@H](c2sccc2Cl)C(C(=O)[O-])=C1C ZINC001594985472 982800925 /nfs/dbraw/zinc/80/09/25/982800925.db2.gz QSNPRWWSAIBMDO-CPCISQLKSA-N -1 0 328.821 3.625 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cc(-c3n[nH]c(=O)[n-]3)ccc2C)C1(C)C ZINC000655050609 1014881769 /nfs/dbraw/zinc/88/17/69/1014881769.db2.gz QENDJSOFIMQTQP-HIFRSBDPSA-N -1 0 340.427 3.663 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)C(C)(C)C1CCCC1 ZINC000655050511 1014882185 /nfs/dbraw/zinc/88/21/85/1014882185.db2.gz ALQHNVPXJXSKOB-UHFFFAOYSA-N -1 0 328.416 3.641 20 0 EHADRM Cc1cc(C(F)F)oc1C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1 ZINC000923175560 982826670 /nfs/dbraw/zinc/82/66/70/982826670.db2.gz VTXOZLQKONNMKN-GFCCVEGCSA-N -1 0 343.370 3.927 20 0 EHADRM CCCN(CC)c1ccc(C(=O)N[C@H](CC(=O)[O-])C2CCCC2)cc1 ZINC001595869230 982845933 /nfs/dbraw/zinc/84/59/33/982845933.db2.gz PQUBSDNYGIYWMG-GOSISDBHSA-N -1 0 346.471 3.686 20 0 EHADRM CCCN(CCc1cccc(F)c1)C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001595884140 982904625 /nfs/dbraw/zinc/90/46/25/982904625.db2.gz LDJOMALZVSEPBN-UHFFFAOYSA-N -1 0 343.398 3.927 20 0 EHADRM CCCN(Cc1cc(C(=O)[O-])no1)Cc1c(F)cccc1Cl ZINC001595885726 982908851 /nfs/dbraw/zinc/90/88/51/982908851.db2.gz DHOLGXDLVOPOBO-UHFFFAOYSA-N -1 0 326.755 3.578 20 0 EHADRM CCCN(Cc1ccc(F)cc1F)C(=O)c1cccc(C(=O)[O-])c1 ZINC001595888573 982918127 /nfs/dbraw/zinc/91/81/27/982918127.db2.gz OMGQKMJLRPTTSH-UHFFFAOYSA-N -1 0 333.334 3.715 20 0 EHADRM CC[C@H](C)Oc1ccc(NC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)cc1 ZINC001595008284 982928217 /nfs/dbraw/zinc/92/82/17/982928217.db2.gz NNUPOICXNLHMTQ-JTQLQIEISA-N -1 0 330.384 3.759 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC001116479256 982930798 /nfs/dbraw/zinc/93/07/98/982930798.db2.gz PMCFBIFHENASKQ-UWJYYQICSA-N -1 0 335.403 3.926 20 0 EHADRM CC[C@H](C)c1ccc(C(=O)COC(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC001595010053 982938515 /nfs/dbraw/zinc/93/85/15/982938515.db2.gz MPUUNXSPDKWECY-ZDUSSCGKSA-N -1 0 340.375 3.938 20 0 EHADRM CCCN1Cc2cccc(NC(=O)c3cc(C)cc(C(=O)[O-])c3)c2C1 ZINC001595915186 983009800 /nfs/dbraw/zinc/00/98/00/983009800.db2.gz AYZBARMGISQOFJ-UHFFFAOYSA-N -1 0 338.407 3.671 20 0 EHADRM CCCNc1ccc(CNc2nc(Cl)c(C(=O)[O-])s2)cc1 ZINC001595936531 983076132 /nfs/dbraw/zinc/07/61/32/983076132.db2.gz GBSBZPIREKXONJ-UHFFFAOYSA-N -1 0 325.821 3.929 20 0 EHADRM CCCOc1ccc(NC(=O)c2cc(F)cc(C(=O)[O-])c2)cc1C ZINC001595960355 983150519 /nfs/dbraw/zinc/15/05/19/983150519.db2.gz HFZYZCBGAVMFRC-UHFFFAOYSA-N -1 0 331.343 3.873 20 0 EHADRM CCCOc1ccc(NC(=O)N[C@H](CC(=O)[O-])C2CC2)cc1C(C)C ZINC001595960685 983153426 /nfs/dbraw/zinc/15/34/26/983153426.db2.gz OSZKMDUGSASURS-MRXNPFEDSA-N -1 0 348.443 3.974 20 0 EHADRM CCCOc1ccc(NC(=O)c2ccc(C(=O)[O-])o2)cc1OCCC ZINC001595960649 983153583 /nfs/dbraw/zinc/15/35/83/983153583.db2.gz MVWVDYMEZSDCAG-UHFFFAOYSA-N -1 0 347.367 3.808 20 0 EHADRM CCCOc1ccc(NC(=O)c2csc(C(=O)[O-])n2)cc1Cl ZINC001595960750 983154507 /nfs/dbraw/zinc/15/45/07/983154507.db2.gz PIHVHZSANFJOPN-UHFFFAOYSA-N -1 0 340.788 3.536 20 0 EHADRM CCC[C@H](NC(=O)c1c(F)cccc1Sc1ccccc1)C(=O)[O-] ZINC001596018404 983280598 /nfs/dbraw/zinc/28/05/98/983280598.db2.gz OGLPSUBFWQUNSS-AWEZNQCLSA-N -1 0 347.411 3.960 20 0 EHADRM CCCc1c(C(=O)N2CCC[C@@H](C(C)C)CC2)[nH]c(C)c1C(=O)[O-] ZINC001596032169 983307639 /nfs/dbraw/zinc/30/76/39/983307639.db2.gz MEQDWFDTXGBSTG-CQSZACIVSA-N -1 0 334.460 3.872 20 0 EHADRM CCCc1c(C(=O)OC2CCC(C(=O)[O-])CC2)cnn1C1CCCC1 ZINC001596047175 983341584 /nfs/dbraw/zinc/34/15/84/983341584.db2.gz RBPXSKRHAFSNTR-UHFFFAOYSA-N -1 0 348.443 3.751 20 0 EHADRM CCCc1c(NC[C@H]2[C@H](C(=O)[O-])C2(F)F)cnn1-c1ccc(C)cc1 ZINC001596050760 983349474 /nfs/dbraw/zinc/34/94/74/983349474.db2.gz LIONQZROIWAMKI-XJKSGUPXSA-N -1 0 349.381 3.511 20 0 EHADRM CCCc1cc(C(=O)NCc2ccccc2CC(=O)[O-])ccc1Cl ZINC001596055130 983357285 /nfs/dbraw/zinc/35/72/85/983357285.db2.gz HYVIECKCEAVNFW-UHFFFAOYSA-N -1 0 345.826 3.850 20 0 EHADRM CCCc1ccc(C(=O)COc2ccc(C(=O)[O-])c(OC)c2)cc1 ZINC001596060862 983370684 /nfs/dbraw/zinc/37/06/84/983370684.db2.gz XSAXVYZBKUVIJY-UHFFFAOYSA-N -1 0 328.364 3.608 20 0 EHADRM CCCc1sc(C(=O)NCc2cc(C(=O)[O-])c(C)n2C)cc1CC ZINC001596106089 983430736 /nfs/dbraw/zinc/43/07/36/983430736.db2.gz QSUDYYXCPDTKAO-UHFFFAOYSA-N -1 0 348.468 3.538 20 0 EHADRM CCCn1ccc2ccc(NC(=O)c3ccc(/C=C\C(=O)[O-])o3)cc21 ZINC001596116205 983446750 /nfs/dbraw/zinc/44/67/50/983446750.db2.gz VQTIJZQAOJZTMQ-VURMDHGXSA-N -1 0 338.363 3.994 20 0 EHADRM CCN(C(=O)CCCC(=O)[O-])C(c1ccccc1)c1ccccc1 ZINC001596134382 983483570 /nfs/dbraw/zinc/48/35/70/983483570.db2.gz XOORWFMXKYMHHA-UHFFFAOYSA-N -1 0 325.408 3.879 20 0 EHADRM CCN(C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F)C1CCC1 ZINC001596149078 983506463 /nfs/dbraw/zinc/50/64/63/983506463.db2.gz JZSUXDCMXOZVEK-CYBMUJFWSA-N -1 0 344.333 3.572 20 0 EHADRM CCN(C(=O)c1cccc(C(C)(C)C)c1)c1ncc(C(=O)[O-])s1 ZINC001596169663 983533566 /nfs/dbraw/zinc/53/35/66/983533566.db2.gz KSQXCLFTNSXRAE-UHFFFAOYSA-N -1 0 332.425 3.806 20 0 EHADRM CCN([C@H](C)c1ncc(C(=O)[O-])s1)[C@@H](C)c1cccc(OC)c1 ZINC001596181377 983551334 /nfs/dbraw/zinc/55/13/34/983551334.db2.gz RIEMPAXOUABVMM-NWDGAFQWSA-N -1 0 334.441 3.994 20 0 EHADRM CCN(CC(=O)Nc1c(C)sc(C)c1C(=O)[O-])c1ccccc1 ZINC001596208325 983597431 /nfs/dbraw/zinc/59/74/31/983597431.db2.gz PYVXGXCAMJDKNH-UHFFFAOYSA-N -1 0 332.425 3.528 20 0 EHADRM CCN(CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)c1ccccc1Cl ZINC001596228023 983619240 /nfs/dbraw/zinc/61/92/40/983619240.db2.gz AJYQIZHIQFCLBY-UHFFFAOYSA-N -1 0 334.803 3.692 20 0 EHADRM CCN(CC)c1ccc(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)cc1 ZINC001596288035 983707403 /nfs/dbraw/zinc/70/74/03/983707403.db2.gz FNIKYXKKEHFZPR-UHFFFAOYSA-N -1 0 330.428 3.506 20 0 EHADRM CCN(Cc1ccc2c(c1)OCO2)Cc1cc(C(=O)[O-])ccc1Cl ZINC001596364516 983848885 /nfs/dbraw/zinc/84/88/85/983848885.db2.gz KAKAEZBXTFUYTM-UHFFFAOYSA-N -1 0 347.798 3.789 20 0 EHADRM CCN(Cc1ccccc1F)C(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001596371950 983875467 /nfs/dbraw/zinc/87/54/67/983875467.db2.gz WKTCEBJHWANAQU-UHFFFAOYSA-N -1 0 346.358 3.587 20 0 EHADRM CCN(Cc1cccs1)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001596375080 983882169 /nfs/dbraw/zinc/88/21/69/983882169.db2.gz GLTBAVABQUCKAL-JKSUJKDBSA-N -1 0 344.436 3.990 20 0 EHADRM CCN(Cc1ccoc1)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001596375157 983883151 /nfs/dbraw/zinc/88/31/51/983883151.db2.gz LPTFYSQWUHGWHH-UHFFFAOYSA-N -1 0 340.738 3.824 20 0 EHADRM CCN(c1ccc(C(=O)Nc2ccsc2C(=O)[O-])cc1)C(C)C ZINC001596382760 983904677 /nfs/dbraw/zinc/90/46/77/983904677.db2.gz AFEICHMLAMNGDA-UHFFFAOYSA-N -1 0 332.425 3.933 20 0 EHADRM CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cc(C(=O)[O-])c(C)o1 ZINC001596395204 983932751 /nfs/dbraw/zinc/93/27/51/983932751.db2.gz WOXKYAVOQGGDCI-AWEZNQCLSA-N -1 0 334.759 3.526 20 0 EHADRM C/C(=C(\F)C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1)C1CC1 ZINC001588932109 984605716 /nfs/dbraw/zinc/60/57/16/984605716.db2.gz AWJMDIDCYKJOLQ-SFQUDFHCSA-N -1 0 346.402 3.967 20 0 EHADRM C/C(=C\C(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-])c1ccccc1Cl ZINC001588938354 984621439 /nfs/dbraw/zinc/62/14/39/984621439.db2.gz CLBALBSEEUOZBJ-NCJWYGOHSA-N -1 0 335.831 3.893 20 0 EHADRM C/C(=C/C(=O)N1CCc2cccc(C(=O)[O-])c2C1)c1ccccc1C ZINC001588938436 984622013 /nfs/dbraw/zinc/62/20/13/984622013.db2.gz BNVJCMBTIIHDDX-QINSGFPZSA-N -1 0 335.403 3.681 20 0 EHADRM C/C(=C/C(=O)N[C@@H](C(=O)[O-])c1cc(C)cc(C)c1)c1cccs1 ZINC001588938610 984623090 /nfs/dbraw/zinc/62/30/90/984623090.db2.gz DFFQZTIPWXICFB-OJNOIJSXSA-N -1 0 329.421 3.710 20 0 EHADRM C/C(=C\C(=O)N1CCc2cccc(C(=O)[O-])c2C1)c1ccc(F)cc1 ZINC001588938914 984625762 /nfs/dbraw/zinc/62/57/62/984625762.db2.gz IQCOMLNKXFGLIP-ACCUITESSA-N -1 0 339.366 3.512 20 0 EHADRM C/C(=C\C(=O)N[C@@H](CC(=O)[O-])C1CCCC1)c1cccc(Cl)c1 ZINC001588939898 984632105 /nfs/dbraw/zinc/63/21/05/984632105.db2.gz UZRVSFUFGRYNDX-YHVDPYDOSA-N -1 0 335.831 3.893 20 0 EHADRM C/C(=C/C(=O)Nc1ccc(OCCC(=O)[O-])cc1)c1ccccc1C ZINC001588944201 984645925 /nfs/dbraw/zinc/64/59/25/984645925.db2.gz RRRFMJMMVAKJQS-SQFISAMPSA-N -1 0 339.391 3.891 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cccc2cc(O)ccc21 ZINC001599888764 984668988 /nfs/dbraw/zinc/66/89/88/984668988.db2.gz RFNLOABCBLXGNN-CQSZACIVSA-N -1 0 349.386 3.661 20 0 EHADRM C[C@H](CC(=O)[O-])OC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl ZINC001599889696 984679774 /nfs/dbraw/zinc/67/97/74/984679774.db2.gz WVTOPPVYWVNQEC-IBDUZEINSA-N -1 0 336.693 3.778 20 0 EHADRM C/C(=C/C1CCC(C)CC1)C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC001588956119 984701138 /nfs/dbraw/zinc/70/11/38/984701138.db2.gz HBULECAZSAWMIF-ILGFIVOKSA-N -1 0 343.467 3.961 20 0 EHADRM C/C(=C/C1CCC(C)CC1)C(=O)N1CCCc2nc(C(=O)[O-])ccc21 ZINC001588956157 984701216 /nfs/dbraw/zinc/70/12/16/984701216.db2.gz HUKGAHXQDPCQMK-OWBHPGMISA-N -1 0 342.439 3.832 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)N(Cc1ccccc1)C(C)(C)C(=O)[O-] ZINC001599892067 984707306 /nfs/dbraw/zinc/70/73/06/984707306.db2.gz DAXJZMYJKDSNIP-MRXNPFEDSA-N -1 0 339.435 3.757 20 0 EHADRM C[C@H](OC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1cccc(OC(F)F)c1 ZINC001599903712 984892646 /nfs/dbraw/zinc/89/26/46/984892646.db2.gz CNFBYTNNUOYGMF-UHTWSYAYSA-N -1 0 342.338 3.783 20 0 EHADRM C/C(=C/Cl)CSCC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001588990803 984912184 /nfs/dbraw/zinc/91/21/84/984912184.db2.gz HIXOPDRNUMQBLK-DAXSKMNVSA-N -1 0 333.862 3.877 20 0 EHADRM C/C(=C/c1c(Cl)cccc1Cl)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC001588995632 984926538 /nfs/dbraw/zinc/92/65/38/984926538.db2.gz ODMCPKRVOOKIJW-RNKPRXRFSA-N -1 0 330.211 3.576 20 0 EHADRM C/C(=C\c1c(Cl)cccc1Cl)C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001588995640 984926589 /nfs/dbraw/zinc/92/65/89/984926589.db2.gz OHHUPVSOPMWMLQ-RJSYSCLSSA-N -1 0 342.222 3.718 20 0 EHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC001588997714 984931827 /nfs/dbraw/zinc/93/18/27/984931827.db2.gz ATMSGXLIUOGFNE-ROKGZBQXSA-N -1 0 347.842 3.988 20 0 EHADRM C[C@H]1CC[C@@](C)(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])C1(C)C ZINC001599907916 984947319 /nfs/dbraw/zinc/94/73/19/984947319.db2.gz HQZTZWXZHQUTJE-KPHUOKFYSA-N -1 0 349.446 3.648 20 0 EHADRM C/C(=C/c1ccccn1)C(=O)Oc1cc2ccccc2cc1C(=O)[O-] ZINC001589006892 984971810 /nfs/dbraw/zinc/97/18/10/984971810.db2.gz XMVYXHPNIRVIQR-RAXLEYEMSA-N -1 0 333.343 3.942 20 0 EHADRM CCOC(=O)c1cccc(S[C@H](Cc2ccc(F)cc2)C(=O)[O-])c1 ZINC001596730417 984994635 /nfs/dbraw/zinc/99/46/35/984994635.db2.gz ICSARKREDFCPGQ-MRXNPFEDSA-N -1 0 348.395 3.790 20 0 EHADRM CCOC(=O)c1cccc(S[C@@H](Cc2ccc(F)cc2)C(=O)[O-])c1 ZINC001596730416 984994797 /nfs/dbraw/zinc/99/47/97/984994797.db2.gz ICSARKREDFCPGQ-INIZCTEOSA-N -1 0 348.395 3.790 20 0 EHADRM CCOC(=O)c1cccc(SCc2cc(C(=O)[O-])ccc2OC)c1 ZINC001596731215 984999514 /nfs/dbraw/zinc/99/95/14/984999514.db2.gz ZWJBXDTZUFCUOE-UHFFFAOYSA-N -1 0 346.404 3.862 20 0 EHADRM C[C@H]1CN(C(=O)N[C@@H](c2ccccc2)C2CCCC2)CC[C@H]1C(=O)[O-] ZINC001599917650 985080777 /nfs/dbraw/zinc/08/07/77/985080777.db2.gz UZUCLMCZUIQKJO-QGTPRVQTSA-N -1 0 344.455 3.670 20 0 EHADRM CCOC(=O)c1sc(S[C@H](C(=O)[O-])c2ccccc2)nc1C ZINC001596761061 985149572 /nfs/dbraw/zinc/14/95/72/985149572.db2.gz NFSRXYVBVAPIKG-LBPRGKRZSA-N -1 0 337.422 3.546 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(COC(C)(C)C)cc2)C[C@]1(C)C(=O)[O-] ZINC001599922496 985155088 /nfs/dbraw/zinc/15/50/88/985155088.db2.gz JEXSDJZXODJIRL-DJJJIMSYSA-N -1 0 348.443 3.576 20 0 EHADRM CCO[C@@H](C)c1noc(COc2cccc3cc(C(=O)[O-])ccc32)n1 ZINC001596774069 985199844 /nfs/dbraw/zinc/19/98/44/985199844.db2.gz AOQQDWRAZYJUEL-NSHDSACASA-N -1 0 342.351 3.598 20 0 EHADRM CCO[C@H](C)c1ncc(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)s1 ZINC001596775238 985205271 /nfs/dbraw/zinc/20/52/71/985205271.db2.gz BAEHXHZKKYNXLC-GHMZBOCLSA-N -1 0 348.424 3.681 20 0 EHADRM CC(=O)N1Cc2ccc(N[C@@H](C)c3ccc(C(=O)[O-])cc3C)cc2C1 ZINC001589096553 985291694 /nfs/dbraw/zinc/29/16/94/985291694.db2.gz AJLRDGWRWVSGIW-ZDUSSCGKSA-N -1 0 338.407 3.728 20 0 EHADRM CCOC1CC(CC(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)C1 ZINC001596803221 985311965 /nfs/dbraw/zinc/31/19/65/985311965.db2.gz HUKVLJFWCQMGKE-UHFFFAOYSA-N -1 0 327.380 3.682 20 0 EHADRM C[C@]1(c2ccccc2)C[C@H]1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001599938286 985423463 /nfs/dbraw/zinc/42/34/63/985423463.db2.gz FXIKUDSFDNPHOM-KBXCAEBGSA-N -1 0 329.783 3.955 20 0 EHADRM CCO[C@@H]1C[C@H](NC(=O)Nc2cc(C(=O)[O-])ccc2C)C1(CC)CC ZINC001596823123 985423497 /nfs/dbraw/zinc/42/34/97/985423497.db2.gz OMKUEVYYEZYRKR-JKSUJKDBSA-N -1 0 348.443 3.799 20 0 EHADRM CC(=O)NCc1ccc(N[C@@H]2CCCc3ccc(C(=O)[O-])cc32)cc1 ZINC001589149595 985464232 /nfs/dbraw/zinc/46/42/32/985464232.db2.gz BMKAZDIOXDUSLJ-LJQANCHMSA-N -1 0 338.407 3.510 20 0 EHADRM CC(=O)Nc1c(C)cccc1C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC001589166075 985511195 /nfs/dbraw/zinc/51/11/95/985511195.db2.gz ATSZZTQGUYEIKN-UHFFFAOYSA-N -1 0 340.379 3.521 20 0 EHADRM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001594479167 985511571 /nfs/dbraw/zinc/51/15/71/985511571.db2.gz UJWDUUCAWHYCNK-HRDYMLBCSA-N -1 0 328.771 3.686 20 0 EHADRM Cc1[nH]c(C(=O)CN2CCC[C@@H](C)c3ccccc32)c(C)c1C(=O)[O-] ZINC001599945794 985525016 /nfs/dbraw/zinc/52/50/16/985525016.db2.gz RKKYCUISKRTWJH-GFCCVEGCSA-N -1 0 340.423 3.916 20 0 EHADRM Cc1[nH]c(C(=O)[C@@H](C)N2Cc3ccccc3[C@@H](C)C2)c(C)c1C(=O)[O-] ZINC001599946564 985538756 /nfs/dbraw/zinc/53/87/56/985538756.db2.gz VLPPVRFAETZIAL-SMDDNHRTSA-N -1 0 340.423 3.520 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CC(C)(C)O1 ZINC001594482713 985541522 /nfs/dbraw/zinc/54/15/22/985541522.db2.gz SMVLUZFDWXRYDR-JTQLQIEISA-N -1 0 348.424 3.631 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCSc1ccc(Cl)cc1 ZINC000263479787 1125493584 /nfs/dbraw/zinc/49/35/84/1125493584.db2.gz GBDJXNRZLHNLQV-RYUDHWBXSA-N -1 0 341.860 3.534 20 0 EHADRM Cc1[nH]c(C(=O)N2CCC[C@]2(C)Cc2ccccc2)c(C)c1C(=O)[O-] ZINC001599951256 985611306 /nfs/dbraw/zinc/61/13/06/985611306.db2.gz UYISEMSZIKEBCM-HXUWFJFHSA-N -1 0 340.423 3.567 20 0 EHADRM Cc1[nH]c(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)c(C)c1C=O ZINC001599952990 985641754 /nfs/dbraw/zinc/64/17/54/985641754.db2.gz DWXSVNIIHLXVHB-UHFFFAOYSA-N -1 0 336.347 3.548 20 0 EHADRM Cc1[nH]c(C(=O)Nc2cccc3cc(C(=O)[O-])sc32)c(C)c1C=O ZINC001599954427 985663054 /nfs/dbraw/zinc/66/30/54/985663054.db2.gz FUCWSIKXAHWPAO-UHFFFAOYSA-N -1 0 342.376 3.609 20 0 EHADRM CC(=O)Nc1cccc(C(=O)Nc2cccc(C(=O)[O-])c2Cl)c1C ZINC001589205158 985667344 /nfs/dbraw/zinc/66/73/44/985667344.db2.gz HXQPXUNCCKTMTB-UHFFFAOYSA-N -1 0 346.770 3.557 20 0 EHADRM Cc1[nH]c(CN2CCC(=Cc3ccc(F)c(F)c3)CC2)cc1C(=O)[O-] ZINC001599961856 985797118 /nfs/dbraw/zinc/79/71/18/985797118.db2.gz JZRDATZPMOSVRI-UHFFFAOYSA-N -1 0 346.377 3.979 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C(=O)[O-])s2)c1C(C)C ZINC001589248941 985865666 /nfs/dbraw/zinc/86/56/66/985865666.db2.gz BJKDEEHVQRXBTB-UHFFFAOYSA-N -1 0 334.397 3.661 20 0 EHADRM CC(=O)c1c(C)cc(C)c(CN(C)Cc2ccc(C(=O)[O-])cn2)c1C ZINC001589253951 985881646 /nfs/dbraw/zinc/88/16/46/985881646.db2.gz DXFXJJQFWPVQBS-UHFFFAOYSA-N -1 0 340.423 3.540 20 0 EHADRM CCOCCCCNC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001596907503 985890345 /nfs/dbraw/zinc/89/03/45/985890345.db2.gz JQSZFPIJFDCZEB-UHFFFAOYSA-N -1 0 341.407 3.598 20 0 EHADRM Cc1[nH]c2ccccc2c1C1=CC[N@H+](Cc2ccc(C(=O)[O-])n2C)CC1 ZINC001599965388 985894658 /nfs/dbraw/zinc/89/46/58/985894658.db2.gz JIEXHHROKQSSOG-UHFFFAOYSA-N -1 0 349.434 3.802 20 0 EHADRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C ZINC001599966015 985907240 /nfs/dbraw/zinc/90/72/40/985907240.db2.gz CGNQXEFGGFYZED-ZDUSSCGKSA-N -1 0 336.819 3.749 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])[nH]c1NC(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 ZINC001589262019 985925835 /nfs/dbraw/zinc/92/58/35/985925835.db2.gz OVXHXEQOJVCZCG-CMPLNLGQSA-N -1 0 334.416 3.707 20 0 EHADRM CC(=O)c1cccc(C(F)(F)F)c1OCc1ccoc1C(=O)[O-] ZINC001589310113 986084451 /nfs/dbraw/zinc/08/44/51/986084451.db2.gz YRGSLIGOOZBLHJ-UHFFFAOYSA-N -1 0 328.242 3.778 20 0 EHADRM Cc1c2cccc(Cl)c2[nH]c1C(=O)N[C@@H](C(=O)[O-])c1ccsc1 ZINC001599977703 986116940 /nfs/dbraw/zinc/11/69/40/986116940.db2.gz FANLBDCCVWJTNY-CYBMUJFWSA-N -1 0 348.811 3.747 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001599978611 986129849 /nfs/dbraw/zinc/12/98/49/986129849.db2.gz NJKFENFLAPHVAN-JLTOFOAXSA-N -1 0 341.407 3.767 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)[C@H]3CC34CC4)ccc2n1C1CC1 ZINC001599986121 986228320 /nfs/dbraw/zinc/22/83/20/986228320.db2.gz QWHIZPHZZXXDRJ-CQSZACIVSA-N -1 0 325.364 3.688 20 0 EHADRM C[C@@H](C(=O)N(C)c1ccc(OCC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001589339899 986242120 /nfs/dbraw/zinc/24/21/20/986242120.db2.gz MGQUIBJQAGMTHH-GFCCVEGCSA-N -1 0 347.798 3.570 20 0 EHADRM FC(F)(F)Cc1n[n-]c(=NCc2csc(C(F)(F)F)c2)s1 ZINC000624704586 1015202380 /nfs/dbraw/zinc/20/23/80/1015202380.db2.gz XWHYXBDRFKIPGA-UHFFFAOYSA-N -1 0 347.309 3.757 20 0 EHADRM CCOc1cc(Br)c(F)cc1N[C@H](C)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001596993785 986289260 /nfs/dbraw/zinc/28/92/60/986289260.db2.gz YNWHNOVWANQLAC-VGMNWLOBSA-N -1 0 346.196 3.508 20 0 EHADRM C[C@H](C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001589368484 986399396 /nfs/dbraw/zinc/39/93/96/986399396.db2.gz BJAQGZBZYBXJGO-WPKBUWHJSA-N -1 0 335.831 3.547 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NC[C@@H]1C[C@H]1C1CCCC1 ZINC001597021618 986412393 /nfs/dbraw/zinc/41/23/93/986412393.db2.gz KWKGUCFBOWSCEM-GJZGRUSLSA-N -1 0 346.427 3.731 20 0 EHADRM C[C@@H]1CN(c2ccc(NC3CCC(CC(=O)[O-])CC3)cc2)C[C@@H](C)O1 ZINC001594576266 986418204 /nfs/dbraw/zinc/41/82/04/986418204.db2.gz WBFAEEDFBCMXBH-NUWOQIAWSA-N -1 0 346.471 3.746 20 0 EHADRM CCOc1cc(Cl)ccc1NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001597036351 986476979 /nfs/dbraw/zinc/47/69/79/986476979.db2.gz CQYXKEOKURFHTF-CMPLNLGQSA-N -1 0 340.807 3.504 20 0 EHADRM CC(C(=O)N[C@@H](C[C@H]1CCCc2ccccc21)C(=O)[O-])=C1CCCC1 ZINC001589386193 986484377 /nfs/dbraw/zinc/48/43/77/986484377.db2.gz ULTAJWSETRXWDP-MJGOQNOKSA-N -1 0 341.451 3.957 20 0 EHADRM C[C@H](C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F)c1ccco1 ZINC001589387043 986490753 /nfs/dbraw/zinc/49/07/53/986490753.db2.gz DBELQSGRZRUAMW-TVQRCGJNSA-N -1 0 341.285 3.501 20 0 EHADRM CCOc1cc(O)ccc1NC(=O)Nc1ccc(C(=O)[O-])cc1CC ZINC001597044727 986505344 /nfs/dbraw/zinc/50/53/44/986505344.db2.gz MNLVYTXWCYGQTF-UHFFFAOYSA-N -1 0 344.367 3.696 20 0 EHADRM CCOc1ccc(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])cn1 ZINC001597061796 986550068 /nfs/dbraw/zinc/55/00/68/986550068.db2.gz JNDMRDNJDHYHLL-UHFFFAOYSA-N -1 0 328.368 3.554 20 0 EHADRM CCOc1ccc(/C=C2\C(=O)Nc3cc(F)c(C(=O)[O-])cc32)cc1F ZINC001597082167 986632228 /nfs/dbraw/zinc/63/22/28/986632228.db2.gz YEPKFWCWYKMUIW-WZUFQYTHSA-N -1 0 345.301 3.554 20 0 EHADRM CCOc1ccc(/C=C2/C(=O)Nc3cc(F)c(C(=O)[O-])cc32)cc1F ZINC001597082166 986632441 /nfs/dbraw/zinc/63/24/41/986632441.db2.gz YEPKFWCWYKMUIW-VZUCSPMQSA-N -1 0 345.301 3.554 20 0 EHADRM C[C@@H]1Cc2cccc(C(=O)Nc3cc(F)cc(Cl)c3C(=O)[O-])c2O1 ZINC001594619353 986650660 /nfs/dbraw/zinc/65/06/60/986650660.db2.gz CQUAZEMOJRFOMH-MRVPVSSYSA-N -1 0 349.745 3.753 20 0 EHADRM C[C@H]1Cc2cccc(C(=O)Nc3cccc(C(=O)[O-])c3Cl)c2O1 ZINC001594621218 986660868 /nfs/dbraw/zinc/66/08/68/986660868.db2.gz UHGMNLDRNLGVIL-VIFPVBQESA-N -1 0 331.755 3.614 20 0 EHADRM CCOc1ccc(CN(C)Cc2cc(C(=O)[O-])ccc2F)cc1OC ZINC001597100842 986710211 /nfs/dbraw/zinc/71/02/11/986710211.db2.gz QFDQJCRJTHDEPO-UHFFFAOYSA-N -1 0 347.386 3.563 20 0 EHADRM C[C@@H](C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)c1c(F)cccc1F ZINC001589430311 986717025 /nfs/dbraw/zinc/71/70/25/986717025.db2.gz UPWOOBODQUWSEB-SECBINFHSA-N -1 0 344.317 3.887 20 0 EHADRM CCOc1ccc(NC(=O)/C=C/c2ccsc2)c(C(=O)[O-])c1F ZINC001597111462 986765212 /nfs/dbraw/zinc/76/52/12/986765212.db2.gz DNZWNOVSBBFFEF-ZZXKWVIFSA-N -1 0 335.356 3.636 20 0 EHADRM CCOc1ccc(NC(=O)/C=C\c2cccs2)c(C(=O)[O-])c1F ZINC001597111588 986767544 /nfs/dbraw/zinc/76/75/44/986767544.db2.gz GNBGBVPOUUMRNG-YVMONPNESA-N -1 0 335.356 3.636 20 0 EHADRM CCOc1ccc(NC(=O)[C@@H]2CC3CCC2CC3)c(C(=O)[O-])c1F ZINC001597113865 986789339 /nfs/dbraw/zinc/78/93/39/986789339.db2.gz YBCYLQPDVAZTDU-HTAVTVPLSA-N -1 0 335.375 3.687 20 0 EHADRM CCOc1ccc(NC(=O)c2ccc(/C=C\C(=O)[O-])o2)cc1Cl ZINC001597123550 986825492 /nfs/dbraw/zinc/82/54/92/986825492.db2.gz UNGZFAACCZRUAY-YVMONPNESA-N -1 0 335.743 3.682 20 0 EHADRM CCOc1cccc(C(=O)N[C@@H](C(=O)[O-])c2cccc3ccccc32)c1 ZINC001597145357 986906046 /nfs/dbraw/zinc/90/60/46/986906046.db2.gz GLRFLIQSRJGPNI-LJQANCHMSA-N -1 0 349.386 3.794 20 0 EHADRM CCOc1cccc(/C=C\C(=O)N(CC2CC2)[C@@](C)(CC)C(=O)[O-])c1 ZINC001597150266 986926643 /nfs/dbraw/zinc/92/66/43/986926643.db2.gz PSXSXGMEIWMZMY-DUQGCJEPSA-N -1 0 345.439 3.590 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1sccc1C1CC1)c1ccccc1 ZINC001589469925 986950271 /nfs/dbraw/zinc/95/02/71/986950271.db2.gz RBILTWXQIVTIJG-ABAIWWIYSA-N -1 0 329.421 3.817 20 0 EHADRM C[C@@H]1SCCN(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)[C@H]1C ZINC001594664753 986955199 /nfs/dbraw/zinc/95/51/99/986955199.db2.gz YHQXJVBTMOWFDC-YUMQZZPRSA-N -1 0 346.811 3.535 20 0 EHADRM CCOc1cccc(Cl)c1CN[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001597156003 986956489 /nfs/dbraw/zinc/95/64/89/986956489.db2.gz ZLSDXZQHHFHQLZ-VIFPVBQESA-N -1 0 340.832 3.744 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)CCc1cccc2ccccc21)C1CCC1 ZINC001589471854 986963098 /nfs/dbraw/zinc/96/30/98/986963098.db2.gz LBHJNOGKNVRFTK-CQSZACIVSA-N -1 0 325.408 3.627 20 0 EHADRM C[C@@H]1c2cc(F)cc(F)c2CCN1c1nc(Cl)c(C(=O)[O-])s1 ZINC001594666860 986967377 /nfs/dbraw/zinc/96/73/77/986967377.db2.gz AKEFUFRRWQRUIV-ZCFIWIBFSA-N -1 0 344.770 3.897 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)/C=C/c1ccsc1C(F)(F)F)C1CCC1 ZINC001589473121 986970986 /nfs/dbraw/zinc/97/09/86/986970986.db2.gz WPMJFAMNWRKIMH-VUHVRTRXSA-N -1 0 347.358 3.634 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1)C1CCC1 ZINC001589477106 986981263 /nfs/dbraw/zinc/98/12/63/986981263.db2.gz LBMDFKSMMLMALC-LBPRGKRZSA-N -1 0 342.439 3.933 20 0 EHADRM CC[C@@H](C)Oc1ccccc1-c1ccc(C(=O)N[C@@H](C)C(=O)[O-])s1 ZINC000579853298 1015267506 /nfs/dbraw/zinc/26/75/06/1015267506.db2.gz LSCWHMIDHSFGET-NEPJUHHUSA-N -1 0 347.436 3.795 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)c1ccc2c(c1)Cc1ccccc1-2)C1CCC1 ZINC001589477802 986988296 /nfs/dbraw/zinc/98/82/96/986988296.db2.gz CWLQTDMKAWICHA-CYBMUJFWSA-N -1 0 335.403 3.726 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)c1cccc(Oc2ccccc2)c1)C1CCC1 ZINC001589478903 987002372 /nfs/dbraw/zinc/00/23/72/987002372.db2.gz OJCWDDBHYFWJOR-CQSZACIVSA-N -1 0 339.391 3.947 20 0 EHADRM CCOc1ccccc1[C@H](CC)NC(=O)c1oc(C(=O)[O-])cc1C ZINC001597173301 987015501 /nfs/dbraw/zinc/01/55/01/987015501.db2.gz TXAPXQWLDVYKGI-ZDUSSCGKSA-N -1 0 331.368 3.566 20 0 EHADRM CCOc1ccccc1OCCOc1ccc(C(=O)[O-])c(Cl)c1 ZINC001597185440 987047991 /nfs/dbraw/zinc/04/79/91/987047991.db2.gz RDTFENPFINVVSY-UHFFFAOYSA-N -1 0 336.771 3.895 20 0 EHADRM C/C=C\C[C@@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])cnc2Cl)C1 ZINC001594685450 987053759 /nfs/dbraw/zinc/05/37/59/987053759.db2.gz BZHLEYSGYANRJL-OTDNITJGSA-N -1 0 337.807 3.643 20 0 EHADRM C/C=C/COc1cccc(CC(=O)O[C@@H](C)c2cc(C(=O)[O-])co2)c1 ZINC001594689656 987077124 /nfs/dbraw/zinc/07/71/24/987077124.db2.gz UTEQAPXYKNRATH-OOPCZODUSA-N -1 0 344.363 3.780 20 0 EHADRM CC/C(=C/C(=O)NCC1(CC(=O)[O-])CCCC1)c1ccc(C)cc1 ZINC001594690675 987081524 /nfs/dbraw/zinc/08/15/24/987081524.db2.gz HAEXMSNZOZQUPK-VBKFSLOCSA-N -1 0 329.440 3.940 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)C(F)(F)c2ccccc2F)cc1 ZINC001589504086 987112647 /nfs/dbraw/zinc/11/26/47/987112647.db2.gz OACALLGVBNEYGQ-SNVBAGLBSA-N -1 0 337.297 3.744 20 0 EHADRM CCC(=O)N(C)c1ccc(N[C@@H](C(=O)[O-])c2ccccc2C)cc1 ZINC001594695701 987117577 /nfs/dbraw/zinc/11/75/77/987117577.db2.gz NQEIQQKICZSPRJ-GOSISDBHSA-N -1 0 326.396 3.606 20 0 EHADRM CCC(=O)N(C)c1ccc(N[C@@H](C(=O)[O-])c2ccccc2Cl)cc1 ZINC001594696573 987122284 /nfs/dbraw/zinc/12/22/84/987122284.db2.gz WHGSSFSBHBXASM-QGZVFWFLSA-N -1 0 346.814 3.951 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2CCC[C@]3(CCSC3)C2)cc1 ZINC001589508252 987128057 /nfs/dbraw/zinc/12/80/57/987128057.db2.gz IXDROXJGROIUFA-UGSOOPFHSA-N -1 0 348.468 3.626 20 0 EHADRM CCC(=O)c1ccc(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cc1 ZINC001594716728 987190176 /nfs/dbraw/zinc/19/01/76/987190176.db2.gz CDJMVBCFXNTEON-GFCCVEGCSA-N -1 0 325.364 3.720 20 0 EHADRM CCC(=O)c1cc(C(=O)Nc2ccc(CC)cc2C(=O)[O-])ccc1F ZINC001594717345 987193674 /nfs/dbraw/zinc/19/36/74/987193674.db2.gz CCNSUSVWAVLIBL-UHFFFAOYSA-N -1 0 343.354 3.931 20 0 EHADRM CCC(=O)c1cc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)ccc1F ZINC001594718874 987200278 /nfs/dbraw/zinc/20/02/78/987200278.db2.gz ZARDGKXPAKLOAJ-UHFFFAOYSA-N -1 0 343.354 3.688 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)Cc2cccc3ncccc23)c1 ZINC001589533504 987227626 /nfs/dbraw/zinc/22/76/26/987227626.db2.gz RADBAWFTQUAXMO-CYBMUJFWSA-N -1 0 334.375 3.604 20 0 EHADRM CC[C@H](C(=O)N1CCc2ccc(C(=O)[O-])cc21)c1ccc(F)cc1 ZINC001594728534 987234829 /nfs/dbraw/zinc/23/48/29/987234829.db2.gz GNFPDDDBICVKOX-INIZCTEOSA-N -1 0 327.355 3.607 20 0 EHADRM CC[C@@H](C(=O)N[C@](C)(CC(=O)[O-])c1ccccn1)C1CCC(C)CC1 ZINC001594729486 987242857 /nfs/dbraw/zinc/24/28/57/987242857.db2.gz RZPKTULMDDWEFH-JNKIDDAASA-N -1 0 346.471 3.740 20 0 EHADRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1)c1ccc(F)cc1 ZINC001594730129 987248188 /nfs/dbraw/zinc/24/81/88/987248188.db2.gz ZVJGEPJBWVLPRO-ROUUACIJSA-N -1 0 343.398 3.960 20 0 EHADRM C[C@H](C(=O)O[C@@H](C(=O)[O-])c1ccsc1)c1ccc(Cl)s1 ZINC001589540808 987248271 /nfs/dbraw/zinc/24/82/71/987248271.db2.gz RNBCVTHWMSOZQS-WRWORJQWSA-N -1 0 330.814 3.936 20 0 EHADRM CC[C@@H](C(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1)C1CCC(C)CC1 ZINC001594730605 987252027 /nfs/dbraw/zinc/25/20/27/987252027.db2.gz WQZKOJQVTINOHB-CULRUXPZSA-N -1 0 349.393 3.705 20 0 EHADRM CCS[C@@H]1CCC[C@H]1NC(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001597255695 987255617 /nfs/dbraw/zinc/25/56/17/987255617.db2.gz FLIFSWRCLMLMGZ-GHMZBOCLSA-N -1 0 342.486 3.859 20 0 EHADRM CCS[C@H]1CC[C@@H](N(C)c2cc(C(F)(F)F)c(C(=O)[O-])cn2)C1 ZINC001597256860 987260243 /nfs/dbraw/zinc/26/02/43/987260243.db2.gz PDNJOXKNJPLIJQ-ZJUUUORDSA-N -1 0 348.390 3.909 20 0 EHADRM CCSCCS[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001597263108 987287117 /nfs/dbraw/zinc/28/71/17/987287117.db2.gz ARLLSOANSFQNAR-NSHDSACASA-N -1 0 327.471 3.507 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)Nc2cc(C(=O)[O-])ccn2)cc1 ZINC001597270767 987312133 /nfs/dbraw/zinc/31/21/33/987312133.db2.gz BOEJSTZLPVABET-NSHDSACASA-N -1 0 345.424 3.775 20 0 EHADRM CCSc1ccc([C@@H](C)NC(=O)c2ccsc2CC(=O)[O-])cc1 ZINC001597270986 987315320 /nfs/dbraw/zinc/31/53/20/987315320.db2.gz OJHWMOZATMFPKD-LLVKDONJSA-N -1 0 349.477 3.978 20 0 EHADRM CCSc1cccc(N[C@H](C(=O)[O-])c2cccc(C(=O)OC)c2)c1 ZINC001597277510 987335756 /nfs/dbraw/zinc/33/57/56/987335756.db2.gz SYQBEFGQZOFXQJ-INIZCTEOSA-N -1 0 345.420 3.823 20 0 EHADRM CCSc1cccc(N[C@@H](C(=O)[O-])c2cccc(C(=O)OC)c2)c1 ZINC001597277512 987336162 /nfs/dbraw/zinc/33/61/62/987336162.db2.gz SYQBEFGQZOFXQJ-MRXNPFEDSA-N -1 0 345.420 3.823 20 0 EHADRM CC(C)(C(=O)NCCCCCCC(=O)[O-])c1cccc(Cl)c1F ZINC001589570546 987339964 /nfs/dbraw/zinc/33/99/64/987339964.db2.gz OJZPXUZTQFHODV-UHFFFAOYSA-N -1 0 343.826 3.908 20 0 EHADRM CCSc1nnc(SCc2cc(C(=O)[O-])ccc2F)s1 ZINC001597279776 987345216 /nfs/dbraw/zinc/34/52/16/987345216.db2.gz LLQKDEFMEOZPKF-UHFFFAOYSA-N -1 0 330.431 3.780 20 0 EHADRM CC[C@@H](NC(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccccc1F ZINC001597288721 987372665 /nfs/dbraw/zinc/37/26/65/987372665.db2.gz OINQVCALFNVMAH-MRXNPFEDSA-N -1 0 346.358 3.562 20 0 EHADRM CCc1[nH]c(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)c(C)c1C(=O)[O-] ZINC001597354590 987497022 /nfs/dbraw/zinc/49/70/22/987497022.db2.gz KKFZFIYCDAIJLK-NSHDSACASA-N -1 0 332.375 3.556 20 0 EHADRM CC[C@H]1CC[C@H](C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)CC1 ZINC001597355015 987500109 /nfs/dbraw/zinc/50/01/09/987500109.db2.gz XBEUNKXZXPLJLW-HAQNSBGRSA-N -1 0 339.819 3.958 20 0 EHADRM CCc1[nH]c(C(=O)NC[C@H](c2ccccc2)C2CC2)c(C)c1C(=O)[O-] ZINC001597366595 987537829 /nfs/dbraw/zinc/53/78/29/987537829.db2.gz HFAYPZLJFFDGMB-OAHLLOKOSA-N -1 0 340.423 3.507 20 0 EHADRM CCc1[nH]c(C(=O)Nc2ccc(F)cc2SC)c(C)c1C(=O)[O-] ZINC001597373656 987558357 /nfs/dbraw/zinc/55/83/57/987558357.db2.gz WAFGBFZDOMVPHM-UHFFFAOYSA-N -1 0 336.388 3.697 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(NC(=O)CCCc2cccs2)n1 ZINC001589648783 987582323 /nfs/dbraw/zinc/58/23/23/987582323.db2.gz CJRWVABDZRRXAY-UHFFFAOYSA-N -1 0 338.454 3.528 20 0 EHADRM CCc1[nH]c(C(=O)Nc2c(C)cccc2SC)c(C)c1C(=O)[O-] ZINC001597385847 987598243 /nfs/dbraw/zinc/59/82/43/987598243.db2.gz SEDUDEROKQKCRJ-UHFFFAOYSA-N -1 0 332.425 3.866 20 0 EHADRM CC(C)(C(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21)[C@H]1CCCCO1 ZINC001589680653 987704726 /nfs/dbraw/zinc/70/47/26/987704726.db2.gz IYTYHTYDEFGIAP-IAGOWNOFSA-N -1 0 346.423 3.901 20 0 EHADRM CC(C)(C(=O)OCC1(CC(=O)[O-])CC1)c1cccc(Cl)c1F ZINC001589680981 987709111 /nfs/dbraw/zinc/70/91/11/987709111.db2.gz LLGCUWLKPRSQGK-UHFFFAOYSA-N -1 0 328.767 3.555 20 0 EHADRM CCc1c(NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cnn1CC(C)C ZINC001597420270 987733234 /nfs/dbraw/zinc/73/32/34/987733234.db2.gz OYPLNTNUQBZSFC-UHFFFAOYSA-N -1 0 348.378 3.583 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)Nc1ccc(Cl)c2ncccc12 ZINC001589702626 987801896 /nfs/dbraw/zinc/80/18/96/987801896.db2.gz NFLFQOREGNZWQN-CYBMUJFWSA-N -1 0 349.818 3.899 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2ccnc(OC3CCC3)c2)s1 ZINC001597444759 987814054 /nfs/dbraw/zinc/81/40/54/987814054.db2.gz AGUWLXCIBVIXQS-UHFFFAOYSA-N -1 0 346.408 3.587 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)c1cc2ccccc2nc1Cl ZINC001589705418 987820128 /nfs/dbraw/zinc/82/01/28/987820128.db2.gz YGXIMIKLJPLZCP-CYBMUJFWSA-N -1 0 334.803 3.507 20 0 EHADRM CSC1(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)CCC1 ZINC001599784009 987892259 /nfs/dbraw/zinc/89/22/59/987892259.db2.gz PEHMRBFSLZVJKC-UHFFFAOYSA-N -1 0 345.420 3.527 20 0 EHADRM CC(C)(C)[C@H]1C[C@H](OC(=O)C23CCC(C(=O)[O-])(CC2)CC3)CCO1 ZINC001589727177 987921298 /nfs/dbraw/zinc/92/12/98/987921298.db2.gz XHTDFGMSVIZLFT-CXTCDGGRSA-N -1 0 338.444 3.549 20 0 EHADRM CCc1cc(CCCS[C@H](Cc2ccc(C)cc2)C(=O)[O-])on1 ZINC001597470917 987926077 /nfs/dbraw/zinc/92/60/77/987926077.db2.gz NYHSZWVESMLCAN-QGZVFWFLSA-N -1 0 333.453 3.907 20 0 EHADRM CS[C@H]1CC[C@H](N(C)C(=O)Nc2cc(C(=O)[O-])sc2C)C1 ZINC001599788222 987960851 /nfs/dbraw/zinc/96/08/51/987960851.db2.gz QAZOPDYYMSLKFS-UWVGGRQHSA-N -1 0 328.459 3.503 20 0 EHADRM CCc1cc(O)ccc1NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001597482666 987981352 /nfs/dbraw/zinc/98/13/52/987981352.db2.gz RCAXASBAOMQGLV-UHFFFAOYSA-N -1 0 334.759 3.950 20 0 EHADRM CC(C)(C)/C=C\C(=O)N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001589738820 988006936 /nfs/dbraw/zinc/00/69/36/988006936.db2.gz WTDAAEINDJQHKZ-WSROAFLRSA-N -1 0 329.318 3.550 20 0 EHADRM CCc1ccc(-c2nc(SCc3cc(C(=O)[O-])c(C)o3)n[nH]2)cc1 ZINC001597491411 988016981 /nfs/dbraw/zinc/01/69/81/988016981.db2.gz CQWXTWYITYRXNN-UHFFFAOYSA-N -1 0 343.408 3.926 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N([C@H](C)C(=O)[O-])C3CCC3)o2)cc1 ZINC001597492895 988033420 /nfs/dbraw/zinc/03/34/20/988033420.db2.gz XNEQHBINCORDHL-CYBMUJFWSA-N -1 0 341.407 3.977 20 0 EHADRM CSCC1(CC(=O)N2CCCc3ccc(C)c(C(=O)[O-])c32)CC1 ZINC001599793663 988056093 /nfs/dbraw/zinc/05/60/93/988056093.db2.gz UWHWQHUMNNBTLZ-UHFFFAOYSA-N -1 0 333.453 3.506 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)[C@@H]1SCCc2sccc21)C(=O)[O-] ZINC001589760137 988082585 /nfs/dbraw/zinc/08/25/85/988082585.db2.gz OXDVBLJFISZZSE-CMPLNLGQSA-N -1 0 328.455 3.511 20 0 EHADRM CCc1ccc([C@H](C)C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])cc1 ZINC001597511808 988092665 /nfs/dbraw/zinc/09/26/65/988092665.db2.gz IQQRSWBWRXPGNG-KSSFIOAISA-N -1 0 331.456 3.750 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)Nc2cc(F)cc(C(=O)[O-])c2F)cc1 ZINC001597512398 988098018 /nfs/dbraw/zinc/09/80/18/988098018.db2.gz YFZXUKOCMBKXSE-SNVBAGLBSA-N -1 0 333.334 3.968 20 0 EHADRM CSCCCCCCC(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1 ZINC001599797722 988124915 /nfs/dbraw/zinc/12/49/15/988124915.db2.gz UFLVDVYZBQTXEU-UHFFFAOYSA-N -1 0 335.429 3.513 20 0 EHADRM CC(C)(C)CCCCC(=O)Nc1c(C(=O)[O-])nnn1-c1ccccc1 ZINC001589771795 988125013 /nfs/dbraw/zinc/12/50/13/988125013.db2.gz HVDGUVZDESFYMM-UHFFFAOYSA-N -1 0 344.415 3.511 20 0 EHADRM CCc1ccc([C@H]2CCN(Cn3nc(C(=O)[O-])c(Cl)c3C)C2)cc1 ZINC001597518349 988136952 /nfs/dbraw/zinc/13/69/52/988136952.db2.gz SVHMVIIXAPFVGV-HNNXBMFYSA-N -1 0 347.846 3.553 20 0 EHADRM CC(C)(C)CN(CC(F)(F)F)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001589780096 988146616 /nfs/dbraw/zinc/14/66/16/988146616.db2.gz KIBXFZNCTGOMBP-UHFFFAOYSA-N -1 0 335.297 3.575 20 0 EHADRM CSCCCCCCNC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001599799743 988156616 /nfs/dbraw/zinc/15/66/16/988156616.db2.gz SPTJSRIWVLIGOZ-UHFFFAOYSA-N -1 0 349.456 3.911 20 0 EHADRM CC(C)(C)Cc1ccccc1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001589788736 988171822 /nfs/dbraw/zinc/17/18/22/988171822.db2.gz BTAFFOJGILWLIS-UHFFFAOYSA-N -1 0 325.408 3.903 20 0 EHADRM CSCCc1ccccc1NC(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC001599801956 988191271 /nfs/dbraw/zinc/19/12/71/988191271.db2.gz NBKIDFBJQMHXRC-UHFFFAOYSA-N -1 0 348.424 3.513 20 0 EHADRM CSCCc1ccccc1NC(=O)N[C@H](CC(=O)[O-])C(C)(C)C ZINC001599802326 988197872 /nfs/dbraw/zinc/19/78/72/988197872.db2.gz XYUAZTIFJBMCBC-CQSZACIVSA-N -1 0 338.473 3.603 20 0 EHADRM CCc1ccc(NC(=O)[C@@H](C)OCc2ccc(F)cc2)c(C(=O)[O-])c1 ZINC001597542628 988231774 /nfs/dbraw/zinc/23/17/74/988231774.db2.gz FFCBPKKWGCTKBV-GFCCVEGCSA-N -1 0 345.370 3.630 20 0 EHADRM CCc1ccc(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cc1F ZINC001597546408 988249981 /nfs/dbraw/zinc/24/99/81/988249981.db2.gz FCTBXFFFVOZUEQ-INIZCTEOSA-N -1 0 348.349 3.865 20 0 EHADRM CSc1cc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)ccc1F ZINC001599806278 988261457 /nfs/dbraw/zinc/26/14/57/988261457.db2.gz BTRXWDCLOWEWKG-LLVKDONJSA-N -1 0 339.413 3.555 20 0 EHADRM CSc1c(F)cccc1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001599806374 988262288 /nfs/dbraw/zinc/26/22/88/988262288.db2.gz SQKIRVBNIFHXJH-UHFFFAOYSA-N -1 0 333.384 3.817 20 0 EHADRM CCc1ccc(NC(=O)c2ccn(C(CC)CC)n2)c(C(=O)[O-])c1 ZINC001597550430 988267495 /nfs/dbraw/zinc/26/74/95/988267495.db2.gz AVTYGWKLWJZBAX-UHFFFAOYSA-N -1 0 329.400 3.757 20 0 EHADRM CCc1ccc(NC(=O)c2cc(C)n([C@H](C)C3CC3)n2)c(C(=O)[O-])c1 ZINC001597550518 988268155 /nfs/dbraw/zinc/26/81/55/988268155.db2.gz GWEXDNIRMYNNOE-GFCCVEGCSA-N -1 0 341.411 3.675 20 0 EHADRM CCc1ccc(NCC(=O)Nc2ccccc2Cl)c(C(=O)[O-])c1 ZINC001597551093 988271440 /nfs/dbraw/zinc/27/14/40/988271440.db2.gz BDNKFTSFZXNNLQ-UHFFFAOYSA-N -1 0 332.787 3.651 20 0 EHADRM CSc1cc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)ccc1F ZINC001599807292 988275828 /nfs/dbraw/zinc/27/58/28/988275828.db2.gz MNAVNFMNAOZZNA-UONOGXRCSA-N -1 0 345.395 3.988 20 0 EHADRM CSc1cc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)ccc1F ZINC001599807297 988276043 /nfs/dbraw/zinc/27/60/43/988276043.db2.gz CABVHSQACVOIHU-CYBMUJFWSA-N -1 0 345.395 3.766 20 0 EHADRM CSc1cc(C(=O)Nc2sc(C)c(C)c2C(=O)[O-])c(C)o1 ZINC001599807453 988279115 /nfs/dbraw/zinc/27/91/15/988279115.db2.gz NVXCOHBAPZRVQR-UHFFFAOYSA-N -1 0 325.411 3.939 20 0 EHADRM CSc1cc(C(=O)N2CCCc3ccc(C(=O)[O-])cc32)c(C)o1 ZINC001599807847 988285006 /nfs/dbraw/zinc/28/50/06/988285006.db2.gz PTASXHDCNCFDKQ-UHFFFAOYSA-N -1 0 331.393 3.601 20 0 EHADRM CSc1cc(F)ccc1NC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001599809220 988305593 /nfs/dbraw/zinc/30/55/93/988305593.db2.gz XJZBMGVOCQCDIH-LLVKDONJSA-N -1 0 340.420 3.656 20 0 EHADRM CCc1ccc2nc(NC(=O)c3c(C)[nH]c(C(=O)[O-])c3C)sc2c1 ZINC001597570645 988347668 /nfs/dbraw/zinc/34/76/68/988347668.db2.gz VSOMLOBKQJGUEG-UHFFFAOYSA-N -1 0 343.408 3.754 20 0 EHADRM CSc1ccc(CCC(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC001599812993 988370958 /nfs/dbraw/zinc/37/09/58/988370958.db2.gz RPDCCNUIXWGBRZ-UHFFFAOYSA-N -1 0 329.421 3.986 20 0 EHADRM CSc1ccc(/C=C/C(=O)Nc2ccsc2C(=O)[O-])s1 ZINC001599813476 988379710 /nfs/dbraw/zinc/37/97/10/988379710.db2.gz WNGFPVMPSRBVKB-DUXPYHPUSA-N -1 0 325.436 3.882 20 0 EHADRM CSc1ccc(/C=C\C(=O)Nc2cc(C)c(C(=O)[O-])cn2)s1 ZINC001599813555 988380565 /nfs/dbraw/zinc/38/05/65/988380565.db2.gz XIHSPRKMRNXSAS-HYXAFXHYSA-N -1 0 334.422 3.524 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001599814750 988402431 /nfs/dbraw/zinc/40/24/31/988402431.db2.gz QNHUVNRFMIJRLU-VFZGTOFNSA-N -1 0 342.848 3.636 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)c1cc(C(=O)[O-])oc1C ZINC001599815002 988405907 /nfs/dbraw/zinc/40/59/07/988405907.db2.gz YOZFGZYCATVNBA-UHFFFAOYSA-N -1 0 325.773 3.914 20 0 EHADRM CCc1cccc(CNC(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)c1 ZINC001597587229 988409470 /nfs/dbraw/zinc/40/94/70/988409470.db2.gz RUMMGNNGWXJBKK-UHFFFAOYSA-N -1 0 337.379 3.750 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cccc2c1O[C@H](C)C2 ZINC001597590596 988412851 /nfs/dbraw/zinc/41/28/51/988412851.db2.gz ACCQOHJBXRXKKB-LLVKDONJSA-N -1 0 325.364 3.523 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1ccc(-n2nccc2C)cc1 ZINC001597593065 988424861 /nfs/dbraw/zinc/42/48/61/988424861.db2.gz LSEWGQVCXIFNIY-UHFFFAOYSA-N -1 0 349.390 3.694 20 0 EHADRM CSc1ccc(NC(=O)N2CCc3c2cccc3F)cc1C(=O)[O-] ZINC001599818773 988475414 /nfs/dbraw/zinc/47/54/14/988475414.db2.gz ZVLWGCVIIAWQKL-UHFFFAOYSA-N -1 0 346.383 3.840 20 0 EHADRM CSc1ccc(O)c(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC001599819648 988489628 /nfs/dbraw/zinc/48/96/28/988489628.db2.gz ANUPKKAFPUSXDQ-LLVKDONJSA-N -1 0 345.420 3.630 20 0 EHADRM CC(C)(C)OC(=O)CCS[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001589877622 988538916 /nfs/dbraw/zinc/53/89/16/988538916.db2.gz AUUXICWATBRIHI-ZDUSSCGKSA-N -1 0 344.860 3.801 20 0 EHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC001597621267 988545244 /nfs/dbraw/zinc/54/52/44/988545244.db2.gz HQGNKAJEUXXOJY-JKSUJKDBSA-N -1 0 342.366 3.724 20 0 EHADRM CSc1ccccc1C(=O)N[C@@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC001599823266 988551266 /nfs/dbraw/zinc/55/12/66/988551266.db2.gz KGMZRADZQWYBFG-MRXNPFEDSA-N -1 0 329.421 3.581 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cc(Cl)ccc1F ZINC001599832671 988697742 /nfs/dbraw/zinc/69/77/42/988697742.db2.gz YSIYYDYGDAWNBC-NSHDSACASA-N -1 0 335.762 3.595 20 0 EHADRM C[C@@H](C1CCCCC1)N(C)C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001599833661 988711253 /nfs/dbraw/zinc/71/12/53/988711253.db2.gz SHHSVFGKSWSPIN-AWEZNQCLSA-N -1 0 342.439 3.767 20 0 EHADRM CCc1nc(C)c([C@H](C)N(C)Cc2cc(C(=O)[O-])c(C)n2C)s1 ZINC001597657954 988721901 /nfs/dbraw/zinc/72/19/01/988721901.db2.gz QMQJYKMBBJXEFA-LBPRGKRZSA-N -1 0 335.473 3.552 20 0 EHADRM CCc1nc(NC(=O)[C@@H](F)CC2CCCCC2)sc1C(=O)[O-] ZINC001597676355 988791313 /nfs/dbraw/zinc/79/13/13/988791313.db2.gz VSEOIFBCEVIQCR-JTQLQIEISA-N -1 0 328.409 3.651 20 0 EHADRM CCc1nc(NC(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)sc1C ZINC001597680471 988806474 /nfs/dbraw/zinc/80/64/74/988806474.db2.gz MZGDETNEWBEPNB-SECBINFHSA-N -1 0 333.413 3.846 20 0 EHADRM CCc1nc(NC(=O)c2cc(C(F)F)ccc2F)sc1C(=O)[O-] ZINC001597681473 988814179 /nfs/dbraw/zinc/81/41/79/988814179.db2.gz CLXASJWTMIEJSR-UHFFFAOYSA-N -1 0 344.314 3.733 20 0 EHADRM CCc1nc2cc(NC(=O)N[C@@H](CC(=O)[O-])C3CCCC3)ccc2o1 ZINC001597691458 988884146 /nfs/dbraw/zinc/88/41/46/988884146.db2.gz SUZUYKFWJDSULM-ZDUSSCGKSA-N -1 0 345.399 3.545 20 0 EHADRM CCc1noc(C)c1COc1cccc2c(CC(=O)[O-])cccc12 ZINC001597745568 989112080 /nfs/dbraw/zinc/11/20/80/989112080.db2.gz FPTXWHHVHRJLOB-UHFFFAOYSA-N -1 0 325.364 3.905 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(F)cc2C(C)(F)F)C[C@H]1CC(=O)[O-] ZINC001599860208 989155415 /nfs/dbraw/zinc/15/54/15/989155415.db2.gz BDGGWNYYXXFXAO-NXEZZACHSA-N -1 0 344.333 3.512 20 0 EHADRM CCc1nocc1CN(C)[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001597756586 989173996 /nfs/dbraw/zinc/17/39/96/989173996.db2.gz NJTOKBVTBZWDAH-AWEZNQCLSA-N -1 0 342.317 3.514 20 0 EHADRM CC(C)(C)OC(=O)N1CCc2c1cccc2NCCC(C)(C)C(=O)[O-] ZINC001590083055 989189450 /nfs/dbraw/zinc/18/94/50/989189450.db2.gz STODKJGBLTVSLZ-UHFFFAOYSA-N -1 0 348.443 3.897 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)CC[C@H]1CC1(Cl)Cl ZINC001597768294 989231079 /nfs/dbraw/zinc/23/10/79/989231079.db2.gz WPFJFUTYCKDUCO-VIFPVBQESA-N -1 0 335.183 3.557 20 0 EHADRM CCc1oc([C@@H]2Nc3ccccc3C(=O)N2CC(C)C)cc1C(=O)[O-] ZINC001597790981 989316804 /nfs/dbraw/zinc/31/68/04/989316804.db2.gz GZBUMUAQILYVLM-QGZVFWFLSA-N -1 0 342.395 3.763 20 0 EHADRM CCc1oc(CNc2cc(C(=O)OC)c(C)cc2C)cc1C(=O)[O-] ZINC001597804672 989407622 /nfs/dbraw/zinc/40/76/22/989407622.db2.gz IVKLEJQLTQFVDV-UHFFFAOYSA-N -1 0 331.368 3.556 20 0 EHADRM CCc1oc2ccccc2c1C(=O)NCCc1ccccc1C(=O)[O-] ZINC001597807537 989419347 /nfs/dbraw/zinc/41/93/47/989419347.db2.gz BFRBJWLUJANMOC-UHFFFAOYSA-N -1 0 337.375 3.666 20 0 EHADRM CCc1oc2ccccc2c1C(=O)OCc1nc(C)c(C(=O)[O-])s1 ZINC001597807793 989421343 /nfs/dbraw/zinc/42/13/43/989421343.db2.gz KSKWOHGZXYURDF-UHFFFAOYSA-N -1 0 345.376 3.815 20 0 EHADRM CCc1oc2ccccc2c1C(=O)N1c2cccc(C)c2C[C@H]1C(=O)[O-] ZINC001597808063 989422675 /nfs/dbraw/zinc/42/26/75/989422675.db2.gz RKIBETXMACUYMB-INIZCTEOSA-N -1 0 349.386 3.960 20 0 EHADRM CCc1sc(C(=O)Oc2ccc(/C=C/C(=O)[O-])cc2OC)cc1C ZINC001597820883 989462285 /nfs/dbraw/zinc/46/22/85/989462285.db2.gz RXJAMECMTXUCPW-SOFGYWHQSA-N -1 0 346.404 3.945 20 0 EHADRM CCn1c2ccccc2nc1[C@H](C)Nc1ncc(C(=O)[O-])cc1Cl ZINC001597841178 989541032 /nfs/dbraw/zinc/54/10/32/989541032.db2.gz YEHPBKJKARIYRO-JTQLQIEISA-N -1 0 344.802 3.976 20 0 EHADRM CCn1c(S[C@@H](C(=O)[O-])c2ccsc2)nnc1-c1ccccc1 ZINC001597862554 989643744 /nfs/dbraw/zinc/64/37/44/989643744.db2.gz VSRFKPRKICNKHM-CYBMUJFWSA-N -1 0 345.449 3.945 20 0 EHADRM COc1cc(C)c([N-]S(=O)(=O)c2cc(C)c(C)s2)cc1F ZINC000274850584 1015492392 /nfs/dbraw/zinc/49/23/92/1015492392.db2.gz XXIGTDZZFYHCPY-UHFFFAOYSA-N -1 0 329.418 3.622 20 0 EHADRM CCn1cc(CC(=O)Nc2ccc(C(=O)[O-])s2)c2ccccc21 ZINC001597884730 989722298 /nfs/dbraw/zinc/72/22/98/989722298.db2.gz SRNAXNMSJVEXHH-UHFFFAOYSA-N -1 0 328.393 3.602 20 0 EHADRM CCn1cc(CC(=O)Oc2ccc(C)cc2C(=O)[O-])c2ccccc21 ZINC001597886235 989728344 /nfs/dbraw/zinc/72/83/44/989728344.db2.gz SOXRJWQLYYZMGF-UHFFFAOYSA-N -1 0 337.375 3.816 20 0 EHADRM CC(C)(C)OC(=O)c1nc(-c2c[nH]c3ccc(C(=O)[O-])cc32)cs1 ZINC001590370027 989863297 /nfs/dbraw/zinc/86/32/97/989863297.db2.gz XUBLHNSWNPRXDP-UHFFFAOYSA-N -1 0 344.392 3.945 20 0 EHADRM CC(C)(C)OCc1ccccc1NC(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001590398573 989930542 /nfs/dbraw/zinc/93/05/42/989930542.db2.gz HALDBPGTSFUSQV-OAHLLOKOSA-N -1 0 348.443 3.624 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)n1 ZINC001590416651 989955788 /nfs/dbraw/zinc/95/57/88/989955788.db2.gz MMUDXICNVUMOBC-UHFFFAOYSA-N -1 0 348.786 3.863 20 0 EHADRM CC(C)(C)Oc1cccc(NC(=O)NCc2cccc(C(=O)[O-])c2)c1 ZINC001590419611 989961345 /nfs/dbraw/zinc/96/13/45/989961345.db2.gz FZCBAVZFCBXFCP-UHFFFAOYSA-N -1 0 342.395 3.884 20 0 EHADRM CC(C)(C)Oc1cccc(CNC(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC001590420662 989966407 /nfs/dbraw/zinc/96/64/07/989966407.db2.gz XTTUDNZFLQCUPQ-UHFFFAOYSA-N -1 0 348.424 3.945 20 0 EHADRM CC(C)(C)c1ccc(CC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc1 ZINC001590479871 990058356 /nfs/dbraw/zinc/05/83/56/990058356.db2.gz KPNYZWPGBKEXMK-DYESRHJHSA-N -1 0 343.467 3.630 20 0 EHADRM CC(C)(C)c1ccc(OCC(=O)NC2(C(=O)[O-])CCCCCC2)cc1 ZINC001590494226 990100655 /nfs/dbraw/zinc/10/06/55/990100655.db2.gz WXQFUHVIMXTMIP-UHFFFAOYSA-N -1 0 347.455 3.657 20 0 EHADRM CC(C)(C)c1cccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1 ZINC001590499630 990113985 /nfs/dbraw/zinc/11/39/85/990113985.db2.gz ZSASCAWQYRGWTQ-JQFCIGGWSA-N -1 0 329.440 3.842 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCN2C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001590501051 990116499 /nfs/dbraw/zinc/11/64/99/990116499.db2.gz QKXJEQXKCXENMM-HNNXBMFYSA-N -1 0 344.455 3.557 20 0 EHADRM CN(C(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1)c1ccccc1C(=O)[O-] ZINC001598002891 990137632 /nfs/dbraw/zinc/13/76/32/990137632.db2.gz CIIAGTGOMDDHEK-LSDHHAIUSA-N -1 0 327.355 3.681 20 0 EHADRM CN(C(=O)[C@H]1CC[C@H]1c1ccc(F)cc1)c1ccccc1C(=O)[O-] ZINC001598002888 990137683 /nfs/dbraw/zinc/13/76/83/990137683.db2.gz CIIAGTGOMDDHEK-GJZGRUSLSA-N -1 0 327.355 3.681 20 0 EHADRM CC(C)(C)c1ncc(/C=C/C(=O)OCc2ccc(C(=O)[O-])cc2)s1 ZINC001590556554 990197885 /nfs/dbraw/zinc/19/78/85/990197885.db2.gz VGDGDWPGGYCIAM-CMDGGOBGSA-N -1 0 345.420 3.895 20 0 EHADRM CN(C(=O)CCc1ccc(Cl)c(F)c1)c1ccccc1C(=O)[O-] ZINC001598018506 990201951 /nfs/dbraw/zinc/20/19/51/990201951.db2.gz QBGQKZZGDMCRFB-UHFFFAOYSA-N -1 0 335.762 3.773 20 0 EHADRM CN(C(=O)N[C@@H]1CC=C(C(=O)[O-])C1)C1c2ccccc2-c2ccccc21 ZINC001598049514 990297582 /nfs/dbraw/zinc/29/75/82/990297582.db2.gz RTODOTQODSMNBI-CQSZACIVSA-N -1 0 348.402 3.571 20 0 EHADRM CN(C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)[C@@H]1CCSC1 ZINC001598056312 990315234 /nfs/dbraw/zinc/31/52/34/990315234.db2.gz IYUBVEFWZFZGNQ-CYBMUJFWSA-N -1 0 330.409 3.507 20 0 EHADRM CN(C(=O)Nc1cc(C(=O)[O-])cc2cccnc21)C1CCCCC1 ZINC001598056540 990316753 /nfs/dbraw/zinc/31/67/53/990316753.db2.gz OGILKUXXSPVVGS-UHFFFAOYSA-N -1 0 327.384 3.729 20 0 EHADRM CN(C(=O)Nc1cccc(-c2cccs2)c1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598060266 990328386 /nfs/dbraw/zinc/32/83/86/990328386.db2.gz LAFDBSRLEOOWDV-XBXGTLAGSA-N -1 0 330.409 3.742 20 0 EHADRM CC(C)(CC(F)F)C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001590648744 990334036 /nfs/dbraw/zinc/33/40/36/990334036.db2.gz DPOLFDKOGXEZBW-ZDUSSCGKSA-N -1 0 339.382 3.602 20 0 EHADRM CN(C(=O)Nc1ccccc1Oc1ccccc1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598061719 990335837 /nfs/dbraw/zinc/33/58/37/990335837.db2.gz NBNWJMIQOMMGDY-OKILXGFUSA-N -1 0 340.379 3.806 20 0 EHADRM CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C(C)(C)CC(=O)[O-] ZINC001598067893 990362188 /nfs/dbraw/zinc/36/21/88/990362188.db2.gz CRUASUBENXABHY-WDEREUQCSA-N -1 0 344.238 3.809 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])cc1F)[C@H]1CCCC[C@H]1C(F)(F)F ZINC001598083331 990409738 /nfs/dbraw/zinc/40/97/38/990409738.db2.gz RRRLTQVWGJHKBG-YPMHNXCESA-N -1 0 347.308 3.717 20 0 EHADRM CC(C)(CNC(=O)c1ccc(-c2ccc(F)cc2)s1)CC(=O)[O-] ZINC001590749450 990549260 /nfs/dbraw/zinc/54/92/60/990549260.db2.gz YJIFSVCBBFYWTO-UHFFFAOYSA-N -1 0 335.400 3.785 20 0 EHADRM CC(C)(CNc1cc(C(F)(F)F)c(C(=O)[O-])cn1)C1=CCOCC1 ZINC001590774257 990576415 /nfs/dbraw/zinc/57/64/15/990576415.db2.gz LYZFTLSEVYXRGL-UHFFFAOYSA-N -1 0 344.333 3.583 20 0 EHADRM CC(C)(CSc1nn(-c2ccccc2)c(=S)s1)C(=O)[O-] ZINC001590820205 990653447 /nfs/dbraw/zinc/65/34/47/990653447.db2.gz IQNNUYSIUHFNIH-UHFFFAOYSA-N -1 0 326.468 3.866 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001590822155 990663439 /nfs/dbraw/zinc/66/34/39/990663439.db2.gz XHOSEGKNIGDSKV-DOMZBBRYSA-N -1 0 337.847 3.668 20 0 EHADRM CC(C)(NC(=O)Nc1cccc(CSCC(=O)[O-])c1)C1CCC1 ZINC001590856076 990745011 /nfs/dbraw/zinc/74/50/11/990745011.db2.gz ZVDJMRANYNOBHO-UHFFFAOYSA-N -1 0 336.457 3.705 20 0 EHADRM CC(C)(NCc1cc2ccccc2c(Cl)n1)c1nocc1C(=O)[O-] ZINC001590871407 990777779 /nfs/dbraw/zinc/77/77/79/990777779.db2.gz RUHAXRZUKJTGIQ-UHFFFAOYSA-N -1 0 345.786 3.599 20 0 EHADRM CC(C)(Oc1cccc(Cl)c1)C(=O)OC1CCC(C(=O)[O-])CC1 ZINC001590907516 990874340 /nfs/dbraw/zinc/87/43/40/990874340.db2.gz ZWOHUNXIQRIWOO-UHFFFAOYSA-N -1 0 340.803 3.684 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)C1(C)C ZINC001590915571 990904310 /nfs/dbraw/zinc/90/43/10/990904310.db2.gz XDTSFHLSKYDFQI-GHMZBOCLSA-N -1 0 334.441 3.896 20 0 EHADRM CC(C)=CCSCC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001590926966 990928927 /nfs/dbraw/zinc/92/89/27/990928927.db2.gz NBORAQMQYDTRKW-UHFFFAOYSA-N -1 0 339.482 3.963 20 0 EHADRM COc1cccc(SCCN2C[C@H](CC(=O)[O-])c3ccccc32)c1 ZINC001599684344 990963145 /nfs/dbraw/zinc/96/31/45/990963145.db2.gz UAYRJVMYCZAUNB-AWEZNQCLSA-N -1 0 343.448 3.866 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001590967597 991082315 /nfs/dbraw/zinc/08/23/15/991082315.db2.gz ATBLZGUWNIEQPA-IBGZPJMESA-N -1 0 326.396 3.623 20 0 EHADRM CC(C)[C@@H](CCc1ccccc1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001590980396 991131497 /nfs/dbraw/zinc/13/14/97/991131497.db2.gz CEMVWFVXXILHTF-RBUKOAKNSA-N -1 0 345.483 3.995 20 0 EHADRM CC(C)C(CNC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C)C(C)C ZINC001590989477 991199089 /nfs/dbraw/zinc/19/90/89/991199089.db2.gz VPRKAAVUGCCNTI-UHFFFAOYSA-N -1 0 335.448 3.501 20 0 EHADRM COc1ccccc1[C@H](Nc1nc(C)cc(C(=O)[O-])n1)c1ccccc1 ZINC001599700691 991213868 /nfs/dbraw/zinc/21/38/68/991213868.db2.gz ZBJJOJQPRYJNJD-GOSISDBHSA-N -1 0 349.390 3.693 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC001598298636 991235156 /nfs/dbraw/zinc/23/51/56/991235156.db2.gz PBNHVBSYLUSQIH-GZBFAFLISA-N -1 0 345.443 3.541 20 0 EHADRM CC(C)[C@H](NC(=O)c1cc(C(=O)[O-])on1)c1ccc(C(C)(C)C)cc1 ZINC001591018598 991297728 /nfs/dbraw/zinc/29/77/28/991297728.db2.gz BIGDLVUBGIQNAR-INIZCTEOSA-N -1 0 344.411 3.797 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)OC1CCC(CC(=O)[O-])CC1 ZINC001599708309 991327422 /nfs/dbraw/zinc/32/74/22/991327422.db2.gz GCSAVEOPHHFQNM-UQPPLGOBSA-N -1 0 348.439 3.841 20 0 EHADRM COc1ccccc1CCC(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC001599708416 991328381 /nfs/dbraw/zinc/32/83/81/991328381.db2.gz BFRLRGFENFWTJQ-UHFFFAOYSA-N -1 0 334.755 3.585 20 0 EHADRM COc1ccccc1CCCN1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC001599708480 991329456 /nfs/dbraw/zinc/32/94/56/991329456.db2.gz DWFSMBNUOWQIJG-MRXNPFEDSA-N -1 0 325.408 3.706 20 0 EHADRM CN(C)c1ccc(OC(=O)[C@@H]2CCCC[C@@H]2C2CC2)cc1C(=O)[O-] ZINC001598328788 991356188 /nfs/dbraw/zinc/35/61/88/991356188.db2.gz BNGMGTNGVFBBRI-HUUCEWRRSA-N -1 0 331.412 3.573 20 0 EHADRM CN(C)c1cccc(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)c1 ZINC001598335468 991389603 /nfs/dbraw/zinc/38/96/03/991389603.db2.gz LTAJFQORZFAVDN-UHFFFAOYSA-N -1 0 334.375 3.856 20 0 EHADRM CC(C)[C@H](OC(=O)c1ccc(COc2ccccc2)cc1)C(=O)[O-] ZINC001591046682 991435192 /nfs/dbraw/zinc/43/51/92/991435192.db2.gz CTHSSYIENPFTRY-KRWDZBQOSA-N -1 0 328.364 3.532 20 0 EHADRM COc1ccccc1[C@@H]1C[C@H]1C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001599718824 991502798 /nfs/dbraw/zinc/50/27/98/991502798.db2.gz BFXJDRZIXWDGTI-UONOGXRCSA-N -1 0 346.766 3.756 20 0 EHADRM CC(C)[C@]1(C)C[C@H]1C(=O)Oc1ccc(C(=O)[O-])cc1Br ZINC001591061647 991503064 /nfs/dbraw/zinc/50/30/64/991503064.db2.gz MPICBFKMFMKSMB-BONVTDFDSA-N -1 0 341.201 3.735 20 0 EHADRM CC(C)[C@]1(C)C[C@@H]1NC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001591062498 991508417 /nfs/dbraw/zinc/50/84/17/991508417.db2.gz WNEFORKYFKRFDE-YOEHRIQHSA-N -1 0 336.457 3.561 20 0 EHADRM CC(C)[C@@H]1CCC[C@@H](NC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C1 ZINC001591080961 991589120 /nfs/dbraw/zinc/58/91/20/991589120.db2.gz FXXMNJULXDDOIF-GHMZBOCLSA-N -1 0 340.370 3.999 20 0 EHADRM CC(C)[C@@H]1C[C@H]1C(=O)N(C)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001591081382 991591252 /nfs/dbraw/zinc/59/12/52/991591252.db2.gz YHHUTDDEPRWBOM-WDMOLILDSA-N -1 0 344.238 3.870 20 0 EHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)CC1 ZINC001591081838 991595081 /nfs/dbraw/zinc/59/50/81/991595081.db2.gz LKHIZLKYFXPYFA-CNTRQJEFSA-N -1 0 343.467 3.966 20 0 EHADRM CC(C)[C@@H]1CCC[C@@H](NC(=O)NCCc2ccc(C(=O)[O-])cc2)CC1 ZINC001591081977 991596151 /nfs/dbraw/zinc/59/61/51/991596151.db2.gz OKTACTFUQQAKBC-SJLPKXTDSA-N -1 0 346.471 3.831 20 0 EHADRM CC(C)[C@@H]1CCCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC001591087068 991607338 /nfs/dbraw/zinc/60/73/38/991607338.db2.gz JLVZYQNNJKTJFB-SNVBAGLBSA-N -1 0 326.343 3.563 20 0 EHADRM COc1cncc(/C=C/CCNc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC001599726636 991637930 /nfs/dbraw/zinc/63/79/30/991637930.db2.gz QHSJEIMPOTYBBY-GQCTYLIASA-N -1 0 340.423 3.968 20 0 EHADRM CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001591093707 991661883 /nfs/dbraw/zinc/66/18/83/991661883.db2.gz ZKGJLIHQSKHHFM-DGCLKSJQSA-N -1 0 339.823 3.578 20 0 EHADRM CN(CC(=O)Nc1ccc(C(=O)[O-])c2ccccc12)c1ccccc1 ZINC001598397202 991669394 /nfs/dbraw/zinc/66/93/94/991669394.db2.gz SGZOYYZQDVREHT-UHFFFAOYSA-N -1 0 334.375 3.613 20 0 EHADRM CC(C)[C@@H]1N(C(=O)NCc2ccc(C(=O)[O-])s2)CC12CCCC2 ZINC001591098267 991698457 /nfs/dbraw/zinc/69/84/57/991698457.db2.gz ALCPDNVDRPDZIT-AWEZNQCLSA-N -1 0 336.457 3.557 20 0 EHADRM CC(C)C[C@@H](C(=O)N[C@](C)(CCF)C(=O)[O-])c1ccc(Cl)cc1 ZINC001591117682 991777132 /nfs/dbraw/zinc/77/71/32/991777132.db2.gz DZBUYGAFCONHIX-RHSMWYFYSA-N -1 0 343.826 3.789 20 0 EHADRM CC(C)C[C@@H](C(=O)Nc1ccnc(C(=O)[O-])n1)c1ccc(Cl)cc1 ZINC001591120919 991793658 /nfs/dbraw/zinc/79/36/58/991793658.db2.gz QOFYIFZVYBHDNF-CYBMUJFWSA-N -1 0 347.802 3.597 20 0 EHADRM CC(C)C[C@H](C(=O)Nc1ccnc(C(=O)[O-])n1)c1ccc(Cl)cc1 ZINC001591120921 991794192 /nfs/dbraw/zinc/79/41/92/991794192.db2.gz QOFYIFZVYBHDNF-ZDUSSCGKSA-N -1 0 347.802 3.597 20 0 EHADRM CC(C)C[C@H](C)CC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001591132678 991830466 /nfs/dbraw/zinc/83/04/66/991830466.db2.gz CLQHXIRATMMMCK-ZUZCIYMTSA-N -1 0 329.799 3.793 20 0 EHADRM CC(C)C[C@H](C)OC(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC001591137652 991845860 /nfs/dbraw/zinc/84/58/60/991845860.db2.gz JAOBAZJTHCUCAP-AWEZNQCLSA-N -1 0 348.443 3.832 20 0 EHADRM CC(C)CC(CC(C)C)C(=O)N1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001591142514 991865270 /nfs/dbraw/zinc/86/52/70/991865270.db2.gz FJXXGRNOBDGOSS-UHFFFAOYSA-N -1 0 347.455 3.814 20 0 EHADRM COc1nsc(CNc2cccc([C@H](C)C(=O)[O-])c2)c1Cl ZINC001599741683 991867610 /nfs/dbraw/zinc/86/76/10/991867610.db2.gz LMSMIIRVZHGVKE-QMMMGPOBSA-N -1 0 326.805 3.605 20 0 EHADRM CC(C)C[C@@H](CNC(=O)C1=C(c2ccccc2)CCCC1)C(=O)[O-] ZINC001591146691 991884244 /nfs/dbraw/zinc/88/42/44/991884244.db2.gz LNWHDQKOXIXTQU-INIZCTEOSA-N -1 0 329.440 3.877 20 0 EHADRM CC(C)C[C@H](CNC(=O)CCCc1ccc2c(c1)CCCC2)C(=O)[O-] ZINC001591149291 991889681 /nfs/dbraw/zinc/88/96/81/991889681.db2.gz SWDPDVWFEGWXKN-LJQANCHMSA-N -1 0 345.483 3.751 20 0 EHADRM CC(C)C[C@@H](CNC(=O)c1cccc2c1ccn2CC(C)C)C(=O)[O-] ZINC001591156170 991901006 /nfs/dbraw/zinc/90/10/06/991901006.db2.gz MNFDNHQTSFIXCP-HNNXBMFYSA-N -1 0 344.455 3.774 20 0 EHADRM CC(C)C[C@@H](CNC(=O)c1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC001591156310 991902951 /nfs/dbraw/zinc/90/29/51/991902951.db2.gz VIOHAKYJBRTCDK-INIZCTEOSA-N -1 0 341.407 3.956 20 0 EHADRM CN(C[C@@H]1CCc2ccccc21)C(=O)Nc1ccsc1C(=O)[O-] ZINC001598467636 991977433 /nfs/dbraw/zinc/97/74/33/991977433.db2.gz NQQYLXKHVBVLCU-LBPRGKRZSA-N -1 0 330.409 3.640 20 0 EHADRM CN(CCC1CC1)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001598470556 992019742 /nfs/dbraw/zinc/01/97/42/992019742.db2.gz IVELSKQUHNXBFO-UHFFFAOYSA-N -1 0 336.457 3.658 20 0 EHADRM CC(C)CC1CCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC001591207441 992041022 /nfs/dbraw/zinc/04/10/22/992041022.db2.gz MECUJNHIDSAMLP-UHFFFAOYSA-N -1 0 340.370 3.953 20 0 EHADRM CC(C)CCCCNC(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001591236303 992115598 /nfs/dbraw/zinc/11/55/98/992115598.db2.gz AVJJKRYMJMYSCD-UHFFFAOYSA-N -1 0 329.400 3.881 20 0 EHADRM CC(C)CCCCCC(=O)N1C[C@@H](C(=O)[O-])Oc2cc(F)ccc21 ZINC001591236703 992118777 /nfs/dbraw/zinc/11/87/77/992118777.db2.gz MJBPSDNWASHWEA-INIZCTEOSA-N -1 0 337.391 3.611 20 0 EHADRM CC(C)CN(C(=O)[C@H](C)CCc1cccc(F)c1)C(C)(C)C(=O)[O-] ZINC001591280368 992208080 /nfs/dbraw/zinc/20/80/80/992208080.db2.gz GZZZHTCWEUMMHS-CQSZACIVSA-N -1 0 337.435 3.742 20 0 EHADRM CC(C)CN(C(=O)c1cccc(OC2CCCC2)c1)C(C)(C)C(=O)[O-] ZINC001591285529 992224777 /nfs/dbraw/zinc/22/47/77/992224777.db2.gz WBSNZQDNAWRVCF-UHFFFAOYSA-N -1 0 347.455 3.969 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)[C@H](C)Cc1ccccc1F ZINC001591309900 992270379 /nfs/dbraw/zinc/27/03/79/992270379.db2.gz NRLLYGJAZYTUOV-CQSZACIVSA-N -1 0 337.435 3.600 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1ccc(-n2cccc2)cc1 ZINC001591313323 992276789 /nfs/dbraw/zinc/27/67/89/992276789.db2.gz WBCGWQHZYAKECF-UHFFFAOYSA-N -1 0 342.439 3.686 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])c1ncnc2sc3c(c21)CCC3 ZINC001591314248 992280650 /nfs/dbraw/zinc/28/06/50/992280650.db2.gz QGCANDYKKCAWGI-UHFFFAOYSA-N -1 0 347.484 3.753 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)/C=C\c1cc(Cl)cc(Cl)c1 ZINC001591323925 992298285 /nfs/dbraw/zinc/29/82/85/992298285.db2.gz ZQJAUNCZKOCEBR-ARJAWSKDSA-N -1 0 344.238 3.966 20 0 EHADRM CC(C)CN(Cc1ccccc1O[C@@H](C)C(=O)[O-])CC(F)(F)F ZINC001591344279 992329240 /nfs/dbraw/zinc/32/92/40/992329240.db2.gz UGZVWKGNAFWCRT-LBPRGKRZSA-N -1 0 333.350 3.559 20 0 EHADRM CC(C)CN(Cc1ccccc1F)C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001591344335 992330319 /nfs/dbraw/zinc/33/03/19/992330319.db2.gz XTNRUPBWHBZEHX-UHFFFAOYSA-N -1 0 347.430 3.845 20 0 EHADRM CC(C)COC1CCN(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)CC1 ZINC001591391313 992451713 /nfs/dbraw/zinc/45/17/13/992451713.db2.gz JZAVGCJKWRQGSZ-CQSZACIVSA-N -1 0 348.443 3.544 20 0 EHADRM CC(C)COc1ccccc1C(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001591410481 992488079 /nfs/dbraw/zinc/48/80/79/992488079.db2.gz ZTRNSWNVNXMJOH-UHFFFAOYSA-N -1 0 349.333 3.950 20 0 EHADRM CC(C)CSCCCNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001591416295 992496427 /nfs/dbraw/zinc/49/64/27/992496427.db2.gz UWDPJFVGWKLVMD-UHFFFAOYSA-N -1 0 344.864 3.939 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1sc2ncccc2c1Cl ZINC001591428417 992516344 /nfs/dbraw/zinc/51/63/44/992516344.db2.gz GZEMCAPMDHGOPS-JTQLQIEISA-N -1 0 340.832 3.521 20 0 EHADRM CN(Cc1ccc(-c2ccc(Cl)cc2)o1)c1cnc(C(=O)[O-])cn1 ZINC001598508871 992540860 /nfs/dbraw/zinc/54/08/60/992540860.db2.gz ITTUICJOVPTNQS-UHFFFAOYSA-N -1 0 343.770 3.725 20 0 EHADRM CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001598508878 992541575 /nfs/dbraw/zinc/54/15/75/992541575.db2.gz JBMXMPHFJONZLP-LSDHHAIUSA-N -1 0 347.798 3.669 20 0 EHADRM CN(Cc1cc2ccccc2o1)C(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001598508933 992542693 /nfs/dbraw/zinc/54/26/93/992542693.db2.gz MVXJTYMGBLZJIZ-LAUBAEHRSA-N -1 0 349.386 3.650 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])c(Cl)c1)Cc1ccc(F)cc1F ZINC001598509501 992551392 /nfs/dbraw/zinc/55/13/92/992551392.db2.gz WUOCQVUFOQLVJT-UHFFFAOYSA-N -1 0 325.742 3.948 20 0 EHADRM CC(C)Cc1c[nH]c(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)c1 ZINC001591475810 992590724 /nfs/dbraw/zinc/59/07/24/992590724.db2.gz ILVSZENXNUGNOQ-UHFFFAOYSA-N -1 0 325.368 3.645 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)c1ncnc2c3ccccc3oc21 ZINC001598513740 992594757 /nfs/dbraw/zinc/59/47/57/992594757.db2.gz WTAWMGRKNMATSQ-UHFFFAOYSA-N -1 0 333.347 3.711 20 0 EHADRM CC(C)Cc1ccc(CN(CCC(=O)[O-])CC(=O)OC(C)(C)C)cc1 ZINC001591483191 992600893 /nfs/dbraw/zinc/60/08/93/992600893.db2.gz BNGXPSSTIABVBC-UHFFFAOYSA-N -1 0 349.471 3.504 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)N2CCC[C@@](C)(C(=O)[O-])C2)cc1 ZINC001591484151 992608300 /nfs/dbraw/zinc/60/83/00/992608300.db2.gz SNVRTIRPTQGOPD-HXUWFJFHSA-N -1 0 331.456 3.531 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)N[C@H](C(=O)[O-])c2ccccc2)c1 ZINC001591488221 992615064 /nfs/dbraw/zinc/61/50/64/992615064.db2.gz BRVIZQHCJDPVQN-BEFAXECRSA-N -1 0 339.435 3.931 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC001591488267 992615715 /nfs/dbraw/zinc/61/57/15/992615715.db2.gz FAOZLVXXFXJZQA-HNAYVOBHSA-N -1 0 339.435 3.931 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)Nc2ccc(C(=O)[O-])nc2)c1 ZINC001591488273 992615777 /nfs/dbraw/zinc/61/57/77/992615777.db2.gz FBCXYLHTEBNMBF-CYBMUJFWSA-N -1 0 326.396 3.721 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC001591488268 992615839 /nfs/dbraw/zinc/61/58/39/992615839.db2.gz FAOZLVXXFXJZQA-KXBFYZLASA-N -1 0 339.435 3.931 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)N2CCC[C@](C)(C(=O)[O-])C2)c1 ZINC001591489162 992618687 /nfs/dbraw/zinc/61/86/87/992618687.db2.gz NILYCCIORKKESV-QRWLVFNGSA-N -1 0 331.456 3.702 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)N2CCCC[C@H]2CC(=O)[O-])cc1 ZINC001591489198 992618899 /nfs/dbraw/zinc/61/88/99/992618899.db2.gz NVESQERLEJRVPV-YJBOKZPZSA-N -1 0 331.456 3.844 20 0 EHADRM CC(C)Cc1ccccc1CNC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC001591490856 992624241 /nfs/dbraw/zinc/62/42/41/992624241.db2.gz KLYSHUJSECYSJD-UHFFFAOYSA-N -1 0 329.440 3.536 20 0 EHADRM CN(Cc1ccc(OC(F)(F)F)cc1)[C@H](C(=O)[O-])c1ccsc1 ZINC001598518869 992654180 /nfs/dbraw/zinc/65/41/80/992654180.db2.gz DMWJRVMYPDDUHE-ZDUSSCGKSA-N -1 0 345.342 3.904 20 0 EHADRM CC(C)N(C(=O)c1ccc(OCC(=O)[O-])cc1)[C@H](C)c1ccsc1 ZINC001591542034 992720704 /nfs/dbraw/zinc/72/07/04/992720704.db2.gz BERJIQJDQLWICR-CYBMUJFWSA-N -1 0 347.436 3.823 20 0 EHADRM CC(C)N(C(=O)Cc1ccc(C(=O)[O-])cc1)[C@H](C)c1ccccc1 ZINC001591543229 992725720 /nfs/dbraw/zinc/72/57/20/992725720.db2.gz ACWSKEFPKWTTOA-OAHLLOKOSA-N -1 0 325.408 3.926 20 0 EHADRM CC(C)N(Cc1ccc(F)cc1)C(=O)c1ccccc1CCC(=O)[O-] ZINC001591597134 992827373 /nfs/dbraw/zinc/82/73/73/992827373.db2.gz YSWOOXDEFKCYSZ-UHFFFAOYSA-N -1 0 343.398 3.894 20 0 EHADRM CN(Cc1nc(C(=O)[O-])cs1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001598536494 992846115 /nfs/dbraw/zinc/84/61/15/992846115.db2.gz FZGIYPKKVRHSER-LSDHHAIUSA-N -1 0 346.452 3.519 20 0 EHADRM CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1CSCC(C)(C)C ZINC001598556146 993059562 /nfs/dbraw/zinc/05/95/62/993059562.db2.gz XJDJAFISVBOVHO-HNNXBMFYSA-N -1 0 348.468 3.501 20 0 EHADRM COc1ccc(NC(=O)N(C)[C@@H](C)C2CCCCC2)c(C(=O)[O-])c1 ZINC001599592110 993697872 /nfs/dbraw/zinc/69/78/72/993697872.db2.gz QSTHRGKIHYIMDI-LBPRGKRZSA-N -1 0 334.416 3.826 20 0 EHADRM C[C@H](NC(=O)NCCCCCCC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001593095489 993718973 /nfs/dbraw/zinc/71/89/73/993718973.db2.gz WVFBDQBAIWNUJG-NSHDSACASA-N -1 0 344.814 3.874 20 0 EHADRM C[C@H](NC(=O)N[C@@H](C)C1CCCCCC1)c1ncc(C(=O)[O-])s1 ZINC001593102732 993747763 /nfs/dbraw/zinc/74/77/63/993747763.db2.gz WGSYVGXSCUBDOF-QWRGUYRKSA-N -1 0 339.461 3.560 20 0 EHADRM COc1ccc(NC(=O)c2ccc(F)c(SC)c2)c(C(=O)[O-])c1 ZINC001599596227 993751808 /nfs/dbraw/zinc/75/18/08/993751808.db2.gz HJXUODPRPPBJAR-UHFFFAOYSA-N -1 0 335.356 3.507 20 0 EHADRM COc1ccc(NC(=O)c2ccc(CC(C)C)s2)c(C(=O)[O-])c1 ZINC001599596385 993753729 /nfs/dbraw/zinc/75/37/29/993753729.db2.gz WIDJHNGUZJOCRR-UHFFFAOYSA-N -1 0 333.409 3.906 20 0 EHADRM COc1ccc(NCc2cc(C(=O)[O-])c(C)o2)c(C(F)(F)F)c1 ZINC001599597721 993770077 /nfs/dbraw/zinc/77/00/77/993770077.db2.gz VETZWFBMLIPFPE-UHFFFAOYSA-N -1 0 329.274 3.926 20 0 EHADRM COc1ccc(OC(=O)c2ccc(/C=C\C(=O)[O-])o2)c2ccccc12 ZINC001599600875 993813139 /nfs/dbraw/zinc/81/31/39/993813139.db2.gz TXOBMFYLGUSOMC-XFFZJAGNSA-N -1 0 338.315 3.758 20 0 EHADRM COc1ccc(OC[C@H]2CCCC[C@H]2C(=O)[O-])c(Br)c1 ZINC001599605279 993876273 /nfs/dbraw/zinc/87/62/73/993876273.db2.gz FWAWOGUVINCHHT-ZYHUDNBSSA-N -1 0 343.217 3.728 20 0 EHADRM COc1ccc(OCCSCc2cc(C(=O)[O-])ccc2F)cc1 ZINC001599606843 993897697 /nfs/dbraw/zinc/89/76/97/993897697.db2.gz NUCAWWRBRLDIGB-UHFFFAOYSA-N -1 0 336.384 3.845 20 0 EHADRM C[C@H](NC(=O)c1c[nH]c(C(=O)[O-])c1)C(c1ccccc1)c1ccccc1 ZINC001593146920 993947328 /nfs/dbraw/zinc/94/73/28/993947328.db2.gz UYNGOUVDCXIYDG-AWEZNQCLSA-N -1 0 348.402 3.663 20 0 EHADRM CN1CCc2cc(C(=O)Nc3cc4ccccc4c(C(=O)[O-])c3)ccc21 ZINC001598627053 994114300 /nfs/dbraw/zinc/11/43/00/994114300.db2.gz FUTITAZRAUAMAW-UHFFFAOYSA-N -1 0 346.386 3.783 20 0 EHADRM C[C@H](NC(=S)Nc1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 ZINC001593190076 994117491 /nfs/dbraw/zinc/11/74/91/994117491.db2.gz LBRKGKSAHKZBCN-VIFPVBQESA-N -1 0 336.363 3.711 20 0 EHADRM CN1CCc2ccc(Nc3cc(C(F)(F)F)c(C(=O)[O-])cn3)cc21 ZINC001598627802 994126746 /nfs/dbraw/zinc/12/67/46/994126746.db2.gz RBQAAHLRZGVPFF-UHFFFAOYSA-N -1 0 337.301 3.535 20 0 EHADRM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1)c1cscn1 ZINC001593190887 994128959 /nfs/dbraw/zinc/12/89/59/994128959.db2.gz YATPWVPGSFJYMK-JMCQJSRRSA-N -1 0 331.224 3.926 20 0 EHADRM COc1ccc2c(c1)[C@H](C(=O)Oc1cc(Cl)ccc1C(=O)[O-])CC2 ZINC001599624650 994131225 /nfs/dbraw/zinc/13/12/25/994131225.db2.gz HTJJRWLYZHMBHK-CYBMUJFWSA-N -1 0 346.766 3.682 20 0 EHADRM C[C@@H](N[C@@H](C)c1ccc(C(F)(F)F)cn1)c1ncc(C(=O)[O-])s1 ZINC001593204240 994199681 /nfs/dbraw/zinc/19/96/81/994199681.db2.gz OPHMSJNOLARGJB-JGVFFNPUSA-N -1 0 345.346 3.667 20 0 EHADRM C[C@@H](N[C@H](Cc1ccccc1)c1ncco1)c1ccc(C(=O)[O-])o1 ZINC001593211041 994259713 /nfs/dbraw/zinc/25/97/13/994259713.db2.gz UVUWUQLYSDIYAV-TZMCWYRMSA-N -1 0 326.352 3.600 20 0 EHADRM COc1ccc2ccc(C(=O)N(CC(=O)[O-])Cc3ccccc3)cc2c1 ZINC001599636923 994302605 /nfs/dbraw/zinc/30/26/05/994302605.db2.gz XAUYWFUGKGQGPF-UHFFFAOYSA-N -1 0 349.386 3.575 20 0 EHADRM COc1ccc2oc([C@H](C)N[C@H](C)c3nc(C(=O)[O-])co3)c(C)c2c1 ZINC001599637880 994315054 /nfs/dbraw/zinc/31/50/54/994315054.db2.gz LPANNIQPRLFFNH-WDEREUQCSA-N -1 0 344.367 3.848 20 0 EHADRM C[C@H]([NH2+][C@H]1CCC[C@H](CCCC(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593225564 994347094 /nfs/dbraw/zinc/34/70/94/994347094.db2.gz UZENEDSWXDYKSJ-XFIYOXNOSA-N -1 0 339.476 3.525 20 0 EHADRM COc1cccc(C(=O)N2CCCc3c(C(=O)[O-])ccc(C)c32)c1C ZINC001599641178 994361255 /nfs/dbraw/zinc/36/12/55/994361255.db2.gz SYEBTGHZUTZSPH-UHFFFAOYSA-N -1 0 339.391 3.603 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)CC[C@@H](C)c1ccccc1 ZINC001599644627 994408117 /nfs/dbraw/zinc/40/81/17/994408117.db2.gz QPFDCNFUVWMICP-CYBMUJFWSA-N -1 0 328.364 3.883 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)C[C@H](C)c1ccccc1C ZINC001599645736 994423032 /nfs/dbraw/zinc/42/30/32/994423032.db2.gz LVSZZRACEPONDF-AWEZNQCLSA-N -1 0 341.407 3.858 20 0 EHADRM COc1cccc(/C(C)=C/C(=O)O[C@H](C(=O)[O-])c2ccsc2)c1 ZINC001599654643 994558093 /nfs/dbraw/zinc/55/80/93/994558093.db2.gz VWTROAONDHMLGS-KXKDPZRNSA-N -1 0 332.377 3.529 20 0 EHADRM COc1cccc([C@@H](C)CCCC(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])c1 ZINC001599655371 994570692 /nfs/dbraw/zinc/57/06/92/994570692.db2.gz ONDLGIHHVPEPLI-YOEHRIQHSA-N -1 0 349.471 3.975 20 0 EHADRM COc1cccc([C@H](C)c2noc(C34CCC(C(=O)[O-])(CC3)C4)n2)c1 ZINC001599657983 994611595 /nfs/dbraw/zinc/61/15/95/994611595.db2.gz RSTKTHDMDQNEGZ-RMEHTXHKSA-N -1 0 342.395 3.517 20 0 EHADRM C[C@H](NCc1c(F)c(F)cc(F)c1F)c1cc(C(=O)[O-])cs1 ZINC001593285943 994639682 /nfs/dbraw/zinc/63/96/82/994639682.db2.gz LKMRSJPQINLMHX-LURJTMIESA-N -1 0 333.306 3.854 20 0 EHADRM COc1cccc(C)c1NC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC001599661028 994655662 /nfs/dbraw/zinc/65/56/62/994655662.db2.gz APUBXKBQUPQACS-GFCCVEGCSA-N -1 0 328.368 3.836 20 0 EHADRM COc1cccc([C@@H](Sc2nccc(C(C)(C)C)n2)C(=O)[O-])c1 ZINC001599661844 994667712 /nfs/dbraw/zinc/66/77/12/994667712.db2.gz REUVUBYCHUUMHY-CQSZACIVSA-N -1 0 332.425 3.701 20 0 EHADRM COc1cccc(C2(c3noc(-c4cccc(C(=O)[O-])c4)n3)CC2)c1 ZINC001599663728 994695591 /nfs/dbraw/zinc/69/55/91/994695591.db2.gz BDEXIMAKOHGZON-UHFFFAOYSA-N -1 0 336.347 3.523 20 0 EHADRM C[C@H](NCc1ccc(/C=C\C(=O)[O-])o1)c1nc(C(F)(F)F)cs1 ZINC001593296847 994699549 /nfs/dbraw/zinc/69/95/49/994699549.db2.gz QUZHMXFRABZQCK-LGYSABEFSA-N -1 0 346.330 3.704 20 0 EHADRM COc1cccc(CC(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])c1 ZINC001599665920 994728983 /nfs/dbraw/zinc/72/89/83/994728983.db2.gz RNAVFJUMVOZQHK-UHFFFAOYSA-N -1 0 327.380 3.698 20 0 EHADRM C[C@](NCc1csc(-c2ccoc2)n1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593311326 994781337 /nfs/dbraw/zinc/78/13/37/994781337.db2.gz FREUEBFIOBRGID-QGZVFWFLSA-N -1 0 346.383 3.632 20 0 EHADRM C[C@@H](NCc1csc(-c2cccc(C(=O)[O-])c2)n1)c1ccns1 ZINC001593312210 994796566 /nfs/dbraw/zinc/79/65/66/994796566.db2.gz QJYQMZAOSHFSPZ-SNVBAGLBSA-N -1 0 345.449 3.816 20 0 EHADRM CNc1ccc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)c(Cl)c1 ZINC001598678476 994887116 /nfs/dbraw/zinc/88/71/16/994887116.db2.gz UODVBFDUOHSEDQ-NSHDSACASA-N -1 0 344.798 3.600 20 0 EHADRM CNc1ccc(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)cc1F ZINC001598678547 994888659 /nfs/dbraw/zinc/88/86/59/994888659.db2.gz HQKZTXARHAYINE-UHFFFAOYSA-N -1 0 340.713 3.610 20 0 EHADRM COc1cccc(Cl)c1CC(=O)Nc1cc(C)c(C(=O)[O-])s1 ZINC001599676433 994904333 /nfs/dbraw/zinc/90/43/33/994904333.db2.gz IPXQSIRFKSCNPT-UHFFFAOYSA-N -1 0 339.800 3.598 20 0 EHADRM COc1cccc(N(C(=O)c2cc(C(=O)[O-])ccn2)c2ccccc2)c1 ZINC001599677479 994921122 /nfs/dbraw/zinc/92/11/22/994921122.db2.gz NNTKNAGAHSQNPG-UHFFFAOYSA-N -1 0 348.358 3.767 20 0 EHADRM C[C@H](Nc1cnc2c(ccc(F)c2F)c1)c1ncc(C(=O)[O-])s1 ZINC001593367895 995060804 /nfs/dbraw/zinc/06/08/04/995060804.db2.gz RUUJOAYYYKICMX-ZETCQYMHSA-N -1 0 335.335 3.841 20 0 EHADRM COC(=O)[C@H](C)c1cccc(NCc2cc(C(=O)[O-])ccc2Cl)c1 ZINC001598692030 995080195 /nfs/dbraw/zinc/08/01/95/995080195.db2.gz MZMSRWIMZQQPEH-LLVKDONJSA-N -1 0 347.798 3.927 20 0 EHADRM C[C@H](OC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)c1cc(C(=O)[O-])co1 ZINC001593499256 995491063 /nfs/dbraw/zinc/49/10/63/995491063.db2.gz JQFZBEZUPLXVBX-KPXOXKRLSA-N -1 0 336.290 3.664 20 0 EHADRM C[C@H](OC(=O)C[C@@H]1CCc2ccccc2C1)c1cc(C(=O)[O-])co1 ZINC001593516700 995549713 /nfs/dbraw/zinc/54/97/13/995549713.db2.gz VOECBZJUVVBUKX-QWHCGFSZSA-N -1 0 328.364 3.777 20 0 EHADRM C[C@H](OC(=O)c1cccc(C(F)(F)F)c1)c1cc(C(=O)[O-])co1 ZINC001593585582 995702724 /nfs/dbraw/zinc/70/27/24/995702724.db2.gz JKNHFOKXWDAJFX-QMMMGPOBSA-N -1 0 328.242 3.915 20 0 EHADRM C[C@H](OC(=O)c1ccccc1-n1cccc1)c1cc(C(=O)[O-])co1 ZINC001593594171 995729235 /nfs/dbraw/zinc/72/92/35/995729235.db2.gz WHQYRQGAGKMXFX-LBPRGKRZSA-N -1 0 325.320 3.687 20 0 EHADRM C[C@@H](OC(=O)c1cnn(C2CCCCC2)c1)c1ccc(C(=O)[O-])o1 ZINC001593600239 995752145 /nfs/dbraw/zinc/75/21/45/995752145.db2.gz XCIOWEAMEYSEJM-LLVKDONJSA-N -1 0 332.356 3.598 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CCCc2sccc21)c1cccs1 ZINC000683299472 1015973358 /nfs/dbraw/zinc/97/33/58/1015973358.db2.gz YJELZEOMHSGHLR-NEPJUHHUSA-N -1 0 335.450 3.562 20 0 EHADRM C[C@@H](Oc1ccc(NC(=O)c2ccc(Cl)cc2)cc1F)C(=O)[O-] ZINC001593633787 995923768 /nfs/dbraw/zinc/92/37/68/995923768.db2.gz JIHJWVDBUPCYJT-SECBINFHSA-N -1 0 337.734 3.583 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)c1 ZINC001593636270 995936761 /nfs/dbraw/zinc/93/67/61/995936761.db2.gz MCRKVQHDVQJEAE-XJKSGUPXSA-N -1 0 335.444 3.583 20 0 EHADRM C[C@@H](SCC(=O)Nc1ccccc1C(=O)[O-])c1ccccc1F ZINC001593657144 996030962 /nfs/dbraw/zinc/03/09/62/996030962.db2.gz ZOPKMPBHKJUPMS-LLVKDONJSA-N -1 0 333.384 3.957 20 0 EHADRM C[C@@H](SCC(=O)N(C1CCCCC1)C1CCCCC1)C(=O)[O-] ZINC001593658728 996033805 /nfs/dbraw/zinc/03/38/05/996033805.db2.gz LBIOVRMCGCCUHN-CYBMUJFWSA-N -1 0 327.490 3.687 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)OC1CC(CC(=O)[O-])C1 ZINC001593664070 996049090 /nfs/dbraw/zinc/04/90/90/996049090.db2.gz FXLRUSXCLQPQOG-BMQDGWLCSA-N -1 0 328.817 3.617 20 0 EHADRM C[C@H](Sc1ccc(F)cc1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001593666822 996052973 /nfs/dbraw/zinc/05/29/73/996052973.db2.gz AMVANCMKZPKSAJ-LBPRGKRZSA-N -1 0 347.411 3.663 20 0 EHADRM C[C@H](Sc1n[nH]c(-c2ccccc2F)n1)c1ccc(C(=O)[O-])o1 ZINC001593678690 996094283 /nfs/dbraw/zinc/09/42/83/996094283.db2.gz XDVPQXMJKVFWMW-QMMMGPOBSA-N -1 0 333.344 3.755 20 0 EHADRM C[C@H](Sc1nc(C(=O)[O-])cs1)C(=O)c1ccc2c(c1)CCC2 ZINC001593680430 996108721 /nfs/dbraw/zinc/10/87/21/996108721.db2.gz ZPJDTTCDKDMCKG-VIFPVBQESA-N -1 0 333.434 3.694 20 0 EHADRM C[C@H](Sc1cnc(C(=O)[O-])cn1)c1cccc(Br)c1 ZINC001593680414 996108872 /nfs/dbraw/zinc/10/88/72/996108872.db2.gz ZEMRFTGSMUMVGM-QMMMGPOBSA-N -1 0 339.214 3.791 20 0 EHADRM C[C@@H](Sc1nc(-c2ccccc2)cs1)C(=O)C(C)(C)C(=O)[O-] ZINC001593680428 996108936 /nfs/dbraw/zinc/10/89/36/996108936.db2.gz ZOFDFKZHAXSIPS-SNVBAGLBSA-N -1 0 335.450 3.971 20 0 EHADRM C[C@@H](c1ccc(COC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1)C(F)(F)F ZINC001593694707 996152028 /nfs/dbraw/zinc/15/20/28/996152028.db2.gz ZJRWMFSYGYEYNF-GDLCADMTSA-N -1 0 344.329 3.897 20 0 EHADRM C[C@H](c1ccc(F)cc1F)N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001593697124 996154288 /nfs/dbraw/zinc/15/42/88/996154288.db2.gz FDVQFEAXBLTSQN-KXUCPTDWSA-N -1 0 337.288 3.611 20 0 EHADRM C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001593705986 996194043 /nfs/dbraw/zinc/19/40/43/996194043.db2.gz NAUMJVOUDJDYEL-CIRFHOKZSA-N -1 0 344.455 3.608 20 0 EHADRM C[C@@H](c1ccccc1)n1cc(Nc2ncc(C(=O)[O-])cc2Cl)cn1 ZINC001593714067 996227636 /nfs/dbraw/zinc/22/76/36/996227636.db2.gz RUJXPFLNMKCPFR-NSHDSACASA-N -1 0 342.786 3.983 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)C1 ZINC001593765490 996441074 /nfs/dbraw/zinc/44/10/74/996441074.db2.gz RSFUYOFJVQFKBQ-SFHVURJKSA-N -1 0 349.858 3.865 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)/C=C\c2ccc(F)c3ccccc23)C1 ZINC001593766858 996448692 /nfs/dbraw/zinc/44/86/92/996448692.db2.gz ZOPIKWCSBQHUNO-WSCHBXBGSA-N -1 0 341.382 3.705 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)NC2CCC(c3ccccc3)CC2)C1 ZINC001593768073 996452731 /nfs/dbraw/zinc/45/27/31/996452731.db2.gz KSMQJWQZGIXDEJ-UHYCVJNDSA-N -1 0 344.455 3.609 20 0 EHADRM COC(=O)CC(C)(C)C[C@@H](C)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001598833808 996463865 /nfs/dbraw/zinc/46/38/65/996463865.db2.gz KLKOCKNQRCCUIV-LLVKDONJSA-N -1 0 332.400 3.646 20 0 EHADRM COC(=O)CC1CCC(Nc2ccc(SC)c(C(=O)[O-])c2)CC1 ZINC001598846458 996570041 /nfs/dbraw/zinc/57/00/41/996570041.db2.gz HCQFIXPXJKZWJU-UHFFFAOYSA-N -1 0 337.441 3.641 20 0 EHADRM CC1(C)[C@@H](c2ccc(Cl)cc2)CCN1c1nccc(C(=O)[O-])n1 ZINC001593837101 996594227 /nfs/dbraw/zinc/59/42/27/996594227.db2.gz DUSJWZYFXHBZOE-CYBMUJFWSA-N -1 0 331.803 3.601 20 0 EHADRM CC1(C)C2CCC1(C(=O)Nc1cc(CCC(=O)[O-])ccc1O)CC2 ZINC001593842681 996604981 /nfs/dbraw/zinc/60/49/81/996604981.db2.gz UXVIRGWITSSFPU-UHFFFAOYSA-N -1 0 331.412 3.564 20 0 EHADRM CC1(C)C[C@H](C(=O)Nc2cc(Cl)c(Cl)cc2C(=O)[O-])CCO1 ZINC001593848424 996619553 /nfs/dbraw/zinc/61/95/53/996619553.db2.gz QKASJMBZSTXVHC-MRVPVSSYSA-N -1 0 346.210 3.835 20 0 EHADRM CC1(C)C[C@H](OC(=O)c2ccc(C(=O)[O-])c(F)c2)c2ccccc2O1 ZINC001593862980 996661621 /nfs/dbraw/zinc/66/16/21/996661621.db2.gz ADMYQLKZFMDNQX-INIZCTEOSA-N -1 0 344.338 3.983 20 0 EHADRM CC1(C)CCC(C)(NC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CC1 ZINC001593874045 996687064 /nfs/dbraw/zinc/68/70/64/996687064.db2.gz KQKKLTCHOJVPBA-UHFFFAOYSA-N -1 0 336.407 3.933 20 0 EHADRM CC1(C)CC[C@H](C(=O)N[C@H]2CC=C(C(=O)[O-])C2)[C@@H](c2ccccc2)C1 ZINC001593874894 996692764 /nfs/dbraw/zinc/69/27/64/996692764.db2.gz RNRPJAZOAFSYRU-OKZBNKHCSA-N -1 0 341.451 3.886 20 0 EHADRM CC1(C)Cc2cc(C(=O)N[C@]3(C(=O)[O-])CCCC(C)(C)C3)ccc2O1 ZINC001593892456 996741141 /nfs/dbraw/zinc/74/11/41/996741141.db2.gz NPJPTBILENOCGS-HXUWFJFHSA-N -1 0 345.439 3.554 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)NC[C@@H]1CCCC1(C)C)c1ccccc1 ZINC001593903415 996773728 /nfs/dbraw/zinc/77/37/28/996773728.db2.gz SREVFJLEAZNQBD-HOTGVXAUSA-N -1 0 346.471 3.964 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC001599379109 996803566 /nfs/dbraw/zinc/80/35/66/996803566.db2.gz VAKFGKYKPUXWGB-AEGPPILISA-N -1 0 332.396 3.905 20 0 EHADRM CC1(C)CCc2nc(NC(=O)c3ccc(C(=O)[O-])cc3F)sc2C1 ZINC001593916110 996817615 /nfs/dbraw/zinc/81/76/15/996817615.db2.gz MNRXAHCVLCWCIZ-UHFFFAOYSA-N -1 0 348.399 3.748 20 0 EHADRM CC1(C)CN(C(=O)CCc2ccccc2C(=O)[O-])[C@H]1c1cccs1 ZINC001593928469 996872375 /nfs/dbraw/zinc/87/23/75/996872375.db2.gz BYUVXYLYXJRJSD-KRWDZBQOSA-N -1 0 343.448 3.989 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)C/C=C/c2ccc(C)cc2)c1 ZINC001599487343 996874870 /nfs/dbraw/zinc/87/48/70/996874870.db2.gz GTKQZASYCRBTHY-ONEGZZNKSA-N -1 0 325.364 3.744 20 0 EHADRM CC1(C)CN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)c2ccc(Cl)cc21 ZINC001593928900 996881882 /nfs/dbraw/zinc/88/18/82/996881882.db2.gz XIKSOGHDJZPCSJ-VMPITWQZSA-N -1 0 345.782 3.969 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)[C@@H]1c1ccco1 ZINC001593934884 996902914 /nfs/dbraw/zinc/90/29/14/996902914.db2.gz OOEQPOAZPSKLHQ-CQSZACIVSA-N -1 0 332.331 3.732 20 0 EHADRM CC1(C)CN(C(=O)Nc2cccc3cc(C(=O)[O-])sc32)CCCO1 ZINC001593935621 996912437 /nfs/dbraw/zinc/91/24/37/996912437.db2.gz RXZLMGBQISCXPM-UHFFFAOYSA-N -1 0 348.424 3.632 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)N(C2CC2)C2CCCCC2)c1 ZINC001599489546 996913136 /nfs/dbraw/zinc/91/31/36/996913136.db2.gz KPOBPYPMEPZBQH-UHFFFAOYSA-N -1 0 332.400 3.722 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2sccc2C2CC2)c1F ZINC001599490870 996936015 /nfs/dbraw/zinc/93/60/15/996936015.db2.gz HOSAEYPJOWRHIN-UHFFFAOYSA-N -1 0 335.356 3.724 20 0 EHADRM COCc1cc(NC(=O)N[C@@H](C)[C@@H]2CCC[C@H](C)C2)cc(C(=O)[O-])c1 ZINC001599286264 996983155 /nfs/dbraw/zinc/98/31/55/996983155.db2.gz PIHOBZGJTWEQHH-KCQAQPDRSA-N -1 0 348.443 3.868 20 0 EHADRM COCc1cc(NC(=O)NCCC2=CCCCC2)cc(C(=O)[O-])c1 ZINC001599287142 997000419 /nfs/dbraw/zinc/00/04/19/997000419.db2.gz FWTZVDUGWFFXEQ-UHFFFAOYSA-N -1 0 332.400 3.543 20 0 EHADRM COCc1cc(NC(=O)N[C@@H]2CCC[C@H]2C(C)(C)C)cc(C(=O)[O-])c1 ZINC001599287420 997004299 /nfs/dbraw/zinc/00/42/99/997004299.db2.gz MZMZRMNTWKAXIS-HZPDHXFCSA-N -1 0 348.443 3.868 20 0 EHADRM COCc1cc(N[C@H](C)c2cc3cnccc3o2)cc(C(=O)[O-])c1 ZINC001599287801 997011369 /nfs/dbraw/zinc/01/13/69/997011369.db2.gz HMWQAMYAHGXGBK-LLVKDONJSA-N -1 0 326.352 3.846 20 0 EHADRM COCc1cc(NC(=S)Nc2cc(C)cc(C)c2)cc(C(=O)[O-])c1 ZINC001599288432 997021481 /nfs/dbraw/zinc/02/14/81/997021481.db2.gz VHDQLFHCCZDSJS-UHFFFAOYSA-N -1 0 344.436 3.957 20 0 EHADRM COc1cc(C)c([C@H](C)OC(=O)/C=C/c2cc(C(=O)[O-])co2)cc1C ZINC001599390803 997031654 /nfs/dbraw/zinc/03/16/54/997031654.db2.gz POMYMBRSADDRCO-GFUIURDCSA-N -1 0 344.363 3.921 20 0 EHADRM COc1cc(C)cc(C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)c1C ZINC001599392116 997057101 /nfs/dbraw/zinc/05/71/01/997057101.db2.gz NBMOIDAWUBJHFA-UHFFFAOYSA-N -1 0 345.420 3.984 20 0 EHADRM COc1cc(C)cc(C(=O)NC[C@@H](C(=O)[O-])C2CCCCCC2)c1C ZINC001599392133 997057285 /nfs/dbraw/zinc/05/72/85/997057285.db2.gz NYARGXLSTWWIIV-QGZVFWFLSA-N -1 0 347.455 3.713 20 0 EHADRM CC1(C)COc2ccc(C(=O)Nc3c(F)ccc(F)c3C(=O)[O-])cc21 ZINC001593960653 997078785 /nfs/dbraw/zinc/07/87/85/997078785.db2.gz IJKXGVWSLSRCQH-UHFFFAOYSA-N -1 0 347.317 3.585 20 0 EHADRM COc1ccc(C(=O)[O-])cc1COc1ccc(Cl)cc1C(C)=O ZINC001599499356 997084663 /nfs/dbraw/zinc/08/46/63/997084663.db2.gz DIXHLZBZCSCQKU-UHFFFAOYSA-N -1 0 334.755 3.828 20 0 EHADRM COc1ccc(C(=O)[O-])cc1CN[C@H](c1ccc(F)cc1F)C1CC1 ZINC001599500126 997101666 /nfs/dbraw/zinc/10/16/66/997101666.db2.gz FKWQVXRERXFDNA-SFHVURJKSA-N -1 0 347.361 3.913 20 0 EHADRM CC1(C)Cc2ccc(Cl)c(NCc3cccc(C(=O)[O-])n3)c2O1 ZINC001593965171 997103707 /nfs/dbraw/zinc/10/37/07/997103707.db2.gz PPGFHGHUEAQNTM-UHFFFAOYSA-N -1 0 332.787 3.759 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OCCCOc1ccc(F)cc1 ZINC001599398387 997170140 /nfs/dbraw/zinc/17/01/40/997170140.db2.gz FEWNLUSNLFULNG-ONNFQVAWSA-N -1 0 346.354 3.780 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)[C@@H](C)c1ccccc1C ZINC001599399451 997189017 /nfs/dbraw/zinc/18/90/17/997189017.db2.gz NWQQDKZYXZYJNX-FPAJZGIOSA-N -1 0 340.375 3.811 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1ccc(C)c(C)c1 ZINC001599400651 997209120 /nfs/dbraw/zinc/20/91/20/997209120.db2.gz TYUDBYCSUDSEPK-TWGQIWQCSA-N -1 0 326.348 3.629 20 0 EHADRM COc1ccc(/C(C)=C\C(=O)N[C@]2(C(=O)[O-])CCCC(C)(C)C2)cc1 ZINC001599505959 997210216 /nfs/dbraw/zinc/21/02/16/997210216.db2.gz AEJGODJNOHWFGN-XYELWLDHSA-N -1 0 345.439 3.638 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Nc2c(F)cccc2C(=O)[O-])cc1 ZINC001599506893 997225356 /nfs/dbraw/zinc/22/53/56/997225356.db2.gz NTAWXGUVXSITNV-NSHDSACASA-N -1 0 331.343 3.665 20 0 EHADRM COCc1nc(NC(=O)CC[C@H](C)c2ccccc2)sc1C(=O)[O-] ZINC001599302558 997256977 /nfs/dbraw/zinc/25/69/77/997256977.db2.gz BJQMUZAGWAHDQP-NSHDSACASA-N -1 0 348.424 3.510 20 0 EHADRM COC1CC(C(=O)Nc2c(-c3ccc(C)cc3)csc2C(=O)[O-])C1 ZINC001599094798 997259542 /nfs/dbraw/zinc/25/95/42/997259542.db2.gz WTRGTXGQFSXOTM-UHFFFAOYSA-N -1 0 345.420 3.785 20 0 EHADRM C[C@@]1(CC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CC1(Cl)Cl ZINC001593997953 997320076 /nfs/dbraw/zinc/32/00/76/997320076.db2.gz GLQUBNZDAUCPQS-GFCCVEGCSA-N -1 0 336.602 3.951 20 0 EHADRM COCc1sccc1C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001599306861 997332871 /nfs/dbraw/zinc/33/28/71/997332871.db2.gz DVVWTMOMWLBVMF-UHFFFAOYSA-N -1 0 341.388 3.998 20 0 EHADRM COC1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])CC1 ZINC001599099132 997347843 /nfs/dbraw/zinc/34/78/43/997347843.db2.gz NVJUPORVOMMDSI-UHFFFAOYSA-N -1 0 345.317 3.547 20 0 EHADRM COC1CCC(CCNC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)CC1 ZINC001599100500 997374463 /nfs/dbraw/zinc/37/44/63/997374463.db2.gz ZMTSPCSMKLPHJH-TUBUQKNSSA-N -1 0 348.443 3.592 20 0 EHADRM CO[C@@H]1CCC[C@H](C(=O)O[C@H]2CCCc3cc(C(=O)[O-])ccc32)C1 ZINC001599104209 997444801 /nfs/dbraw/zinc/44/48/01/997444801.db2.gz TUXXWUZGXUWJKA-UXLLHSPISA-N -1 0 332.396 3.511 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000655548994 1016123788 /nfs/dbraw/zinc/12/37/88/1016123788.db2.gz FYMLXUQXMRSJBT-OAQYLSRUSA-N -1 0 337.419 3.806 20 0 EHADRM CC1(CN2Cc3sc(C(=O)[O-])c(Br)c3C2)CCC1 ZINC001594014255 997487148 /nfs/dbraw/zinc/48/71/48/997487148.db2.gz YVVVAPKBSHVFAA-UHFFFAOYSA-N -1 0 330.247 3.715 20 0 EHADRM COc1cc(CN[C@H](C(=O)[O-])c2cccs2)cc2ccccc21 ZINC001599416078 997512813 /nfs/dbraw/zinc/51/28/13/997512813.db2.gz LOAWWRJCOWPTCL-KRWDZBQOSA-N -1 0 327.405 3.825 20 0 EHADRM COc1cc(CN[C@@H](C(=O)[O-])c2cccs2)cc2ccccc21 ZINC001599416079 997512962 /nfs/dbraw/zinc/51/29/62/997512962.db2.gz LOAWWRJCOWPTCL-QGZVFWFLSA-N -1 0 327.405 3.825 20 0 EHADRM CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001599317507 997526385 /nfs/dbraw/zinc/52/63/85/997526385.db2.gz NVKMRQBIIQSYRP-VXGBXAGGSA-N -1 0 338.379 3.746 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(NC(=O)NCC2(C)CCCCC2)n1 ZINC001594021663 997542338 /nfs/dbraw/zinc/54/23/38/997542338.db2.gz KWROWRMHKIZOTK-UHFFFAOYSA-N -1 0 339.461 3.597 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000655548857 1016132988 /nfs/dbraw/zinc/13/29/88/1016132988.db2.gz JFVMMLWKHZDBJF-LBPRGKRZSA-N -1 0 341.810 3.658 20 0 EHADRM COc1cc(Cl)c(Cl)cc1C(=O)OCCCCCC(=O)[O-] ZINC001599418944 997559778 /nfs/dbraw/zinc/55/97/78/997559778.db2.gz RCGAVGRQSBJLFP-UHFFFAOYSA-N -1 0 335.183 3.804 20 0 EHADRM COc1cc(Cl)c(F)c(C(=O)Nc2sc(C)cc2C(=O)[O-])c1 ZINC001599419466 997569160 /nfs/dbraw/zinc/56/91/60/997569160.db2.gz KTZSUVGUDJWONY-UHFFFAOYSA-N -1 0 343.763 3.808 20 0 EHADRM COc1cc(Cl)ccc1CNc1ccc(F)c(C(=O)[O-])c1F ZINC001599420369 997583919 /nfs/dbraw/zinc/58/39/19/997583919.db2.gz BOLOARTWMAAPPY-UHFFFAOYSA-N -1 0 327.714 3.937 20 0 EHADRM COCC[C@@H](NCc1cc(C(=O)[O-])ccc1Cl)c1ccc(C)o1 ZINC001599218938 997632616 /nfs/dbraw/zinc/63/26/16/997632616.db2.gz UQLIOEKWMQCGLR-OAHLLOKOSA-N -1 0 337.803 3.807 20 0 EHADRM COc1ccc([C@@H](NCc2cc(C(C)(C)C)oc2C)C(=O)[O-])cc1O ZINC001599530356 997638822 /nfs/dbraw/zinc/63/88/22/997638822.db2.gz CCCMKBWWQXBRLL-QGZVFWFLSA-N -1 0 347.411 3.515 20 0 EHADRM COc1ccc([C@@H](NCc2cccc(C(=O)[O-])c2)C(F)(F)F)cc1 ZINC001599530418 997641262 /nfs/dbraw/zinc/64/12/62/997641262.db2.gz BTHPVBPMGYQMJJ-OAHLLOKOSA-N -1 0 339.313 3.787 20 0 EHADRM COc1ccc(C)cc1C(=O)COc1ccc(C(=O)[O-])cc1Cl ZINC001599533935 997708791 /nfs/dbraw/zinc/70/87/91/997708791.db2.gz GXHUWVKSBIBAGG-UHFFFAOYSA-N -1 0 334.755 3.617 20 0 EHADRM COc1ccc([C@H](OC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)C2CC2)c(C)c1 ZINC001599534630 997720820 /nfs/dbraw/zinc/72/08/20/997720820.db2.gz RTVQHKVMUVCNRS-IIDMSEBBSA-N -1 0 346.423 3.889 20 0 EHADRM COc1cc(NC(=O)[C@H]2CCCC(C)(C)C2)c(C(=O)[O-])cc1OC ZINC001599431057 997759601 /nfs/dbraw/zinc/75/96/01/997759601.db2.gz CEZUQERTECXZLK-NSHDSACASA-N -1 0 335.400 3.557 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1cnc2ccsc2c1 ZINC000683319592 1016155836 /nfs/dbraw/zinc/15/58/36/1016155836.db2.gz RBXCDJBBKUXREM-OAHLLOKOSA-N -1 0 340.404 3.551 20 0 EHADRM COc1c(C)cnc(CS[C@@H](Cc2ccc(C)cc2)C(=O)[O-])c1C ZINC001599333827 997796849 /nfs/dbraw/zinc/79/68/49/997796849.db2.gz RUUPEODZIHSETO-KRWDZBQOSA-N -1 0 345.464 3.945 20 0 EHADRM COc1ccc([C@H]2CCCN2c2nc(Cl)c(C(=O)[O-])s2)cc1 ZINC001599539409 997807699 /nfs/dbraw/zinc/80/76/99/997807699.db2.gz IYTPVNIICIHHHT-LLVKDONJSA-N -1 0 338.816 3.845 20 0 EHADRM COc1ccc([C@@H]2CCCN2c2nc(Cl)c(C(=O)[O-])s2)cc1 ZINC001599539410 997808346 /nfs/dbraw/zinc/80/83/46/997808346.db2.gz IYTPVNIICIHHHT-NSHDSACASA-N -1 0 338.816 3.845 20 0 EHADRM CC1(NC(=O)Nc2nc(-c3ccccc3)c(CC(=O)[O-])s2)CCC1 ZINC001594058150 997817367 /nfs/dbraw/zinc/81/73/67/997817367.db2.gz YSYYPRGWNDNYNN-UHFFFAOYSA-N -1 0 345.424 3.501 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)[C@H](C)c1cccc(F)c1 ZINC001599541416 997849548 /nfs/dbraw/zinc/84/95/48/997849548.db2.gz FNZSUQQVIMAIMH-YPUOHESYSA-N -1 0 344.338 3.641 20 0 EHADRM COC(=O)c1cc(COc2ccc(C(=O)[O-])c(Cl)c2)ccc1C ZINC001598935455 997856196 /nfs/dbraw/zinc/85/61/96/997856196.db2.gz VIWBLXWQFHKVCI-UHFFFAOYSA-N -1 0 334.755 3.712 20 0 EHADRM CC1(OCC(=O)O[C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CCC1 ZINC001594069896 997905499 /nfs/dbraw/zinc/90/54/99/997905499.db2.gz UGYCQEFBTYGAQN-ZDUSSCGKSA-N -1 0 347.194 3.622 20 0 EHADRM COc1c(NC(=O)N2CCc3ccccc3[C@@H]2C)cccc1C(=O)[O-] ZINC001599340205 997909663 /nfs/dbraw/zinc/90/96/63/997909663.db2.gz HAKDITZAUMGJJT-LBPRGKRZSA-N -1 0 340.379 3.545 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)c1cccc2c1CCC2 ZINC001599545165 997911229 /nfs/dbraw/zinc/91/12/29/997911229.db2.gz LTWUVZQJLJFCBE-LUAWRHEFSA-N -1 0 338.359 3.501 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)c1cc(C)c(F)cc1F ZINC001599545861 997921193 /nfs/dbraw/zinc/92/11/93/997921193.db2.gz JNTRREQVPUIRGE-XQRVVYSFSA-N -1 0 348.301 3.599 20 0 EHADRM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001594076431 997946884 /nfs/dbraw/zinc/94/68/84/997946884.db2.gz IRGJAZQIMKUSEN-PXNSSMCTSA-N -1 0 338.407 3.556 20 0 EHADRM COc1cc(N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@H]23)ccc1C(F)(F)F ZINC001599442328 997949704 /nfs/dbraw/zinc/94/97/04/997949704.db2.gz AMBUUHXJHTZSPU-LKAMGYQZSA-N -1 0 329.318 3.625 20 0 EHADRM COc1c(NC(=O)Nc2ccc(O)c(C(C)C)c2)cccc1C(=O)[O-] ZINC001599343199 997955830 /nfs/dbraw/zinc/95/58/30/997955830.db2.gz VCXCUZHMTXAKBT-UHFFFAOYSA-N -1 0 344.367 3.866 20 0 EHADRM COc1ccc(CC(C)(C)Nc2ncc(C(=O)[O-])cc2Cl)cc1 ZINC001599549332 997977638 /nfs/dbraw/zinc/97/76/38/997977638.db2.gz LYMPTGSXGZHILR-UHFFFAOYSA-N -1 0 334.803 3.875 20 0 EHADRM COc1ccc(C[C@H](C)C(=O)OCc2cc(C(=O)[O-])sc2C)cc1 ZINC001599549764 997985127 /nfs/dbraw/zinc/98/51/27/997985127.db2.gz BNIYBOBRHQGKSV-NSHDSACASA-N -1 0 348.420 3.685 20 0 EHADRM COc1cc(OC(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)ccc1C(=O)[O-] ZINC001599445498 998002601 /nfs/dbraw/zinc/00/26/01/998002601.db2.gz DJUVEATXMTVNHP-LSDHHAIUSA-N -1 0 344.338 3.632 20 0 EHADRM COc1cc(OC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)ccc1C(=O)[O-] ZINC001599446216 998014516 /nfs/dbraw/zinc/01/45/16/998014516.db2.gz PRHWOLJYSZQZGP-UWVGGRQHSA-N -1 0 346.301 3.668 20 0 EHADRM COc1cc(Br)ccc1CCCSC[C@H](C)C(=O)[O-] ZINC001599347169 998028955 /nfs/dbraw/zinc/02/89/55/998028955.db2.gz CJBMGOBNEQERCF-JTQLQIEISA-N -1 0 347.274 3.844 20 0 EHADRM COc1cc(OC)c2c(c1)N([C@@H](C(=O)[O-])c1ccccc1C)CCC2 ZINC001599449099 998060958 /nfs/dbraw/zinc/06/09/58/998060958.db2.gz OTRCULSGKLWDRL-LJQANCHMSA-N -1 0 341.407 3.591 20 0 EHADRM COc1cc(OC)cc([C@H](C(=O)[O-])N2CC=C(C(C)(C)C)CC2)c1 ZINC001599450818 998094729 /nfs/dbraw/zinc/09/47/29/998094729.db2.gz KXBKBLRTUGTEFU-QGZVFWFLSA-N -1 0 333.428 3.508 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3CCCC[C@@H]3CC(=O)[O-])s2)o1 ZINC000683324765 1016185144 /nfs/dbraw/zinc/18/51/44/1016185144.db2.gz OEGULRBOICXKBU-GFCCVEGCSA-N -1 0 333.409 3.786 20 0 EHADRM COc1cc(OC)cc([C@H](SC[C@@H]2CC[C@H]3C[C@H]3C2)C(=O)[O-])c1 ZINC001599452192 998122934 /nfs/dbraw/zinc/12/29/34/998122934.db2.gz YKHUZADQDSVJMI-ZHRONYKTSA-N -1 0 336.453 3.999 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000683324784 1016186670 /nfs/dbraw/zinc/18/66/70/1016186670.db2.gz ONFWUNADPMGAHV-AWEZNQCLSA-N -1 0 336.391 3.791 20 0 EHADRM CC1=C(C(=O)[O-])C[C@H](COc2cc(C(F)(F)F)ccc2Cl)O1 ZINC001594105622 998161761 /nfs/dbraw/zinc/16/17/61/998161761.db2.gz FILPARAJHWXSIK-SECBINFHSA-N -1 0 336.693 3.885 20 0 EHADRM Cc1cc(NC(=O)N2CCC(C)=C(c3ccco3)C2)ccc1C(=O)[O-] ZINC001594109915 998200478 /nfs/dbraw/zinc/20/04/78/998200478.db2.gz MFDYQAUJHASACT-UHFFFAOYSA-N -1 0 340.379 3.998 20 0 EHADRM COc1cc(OCCOc2ccc(Cl)c(F)c2)ccc1C(=O)[O-] ZINC001599457149 998206656 /nfs/dbraw/zinc/20/66/56/998206656.db2.gz YDBKJNPHLNLXDM-UHFFFAOYSA-N -1 0 340.734 3.644 20 0 EHADRM COC(=O)c1cc2cc(N[C@@H]3CC[C@H](CC(=O)[O-])[C@@H]3C)ccc2s1 ZINC001598958174 998283020 /nfs/dbraw/zinc/28/30/20/998283020.db2.gz VJXPGUCFNDXBFQ-MISXGVKJSA-N -1 0 347.436 3.989 20 0 EHADRM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)C[C@H](C)CCC=C(C)C)c1 ZINC001598961479 998340283 /nfs/dbraw/zinc/34/02/83/998340283.db2.gz NLSVOBIATWMDBG-CYBMUJFWSA-N -1 0 347.411 3.883 20 0 EHADRM COc1cc(C(=O)[O-])ccc1CCNc1ncncc1-c1ccccc1 ZINC001599366885 998349158 /nfs/dbraw/zinc/34/91/58/998349158.db2.gz FQCSXVHUTSCOPM-UHFFFAOYSA-N -1 0 349.390 3.505 20 0 EHADRM COC[C@H](C)[C@H](C)C(=O)Nc1scc(-c2ccccc2)c1C(=O)[O-] ZINC001599157213 998392580 /nfs/dbraw/zinc/39/25/80/998392580.db2.gz BBAHZUPTMNKUGZ-RYUDHWBXSA-N -1 0 347.436 3.970 20 0 EHADRM COC[C@@H](C)[C@@H](C)C(=O)Nc1scc(-c2ccccc2)c1C(=O)[O-] ZINC001599157214 998392798 /nfs/dbraw/zinc/39/27/98/998392798.db2.gz BBAHZUPTMNKUGZ-VXGBXAGGSA-N -1 0 347.436 3.970 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N1CC=C(C(C)(C)C)CC1 ZINC001599369940 998393355 /nfs/dbraw/zinc/39/33/55/998393355.db2.gz BYTXXKXXJDAVNB-UHFFFAOYSA-N -1 0 332.400 3.604 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)C1(C(F)(F)F)CCCCC1 ZINC001599370092 998396251 /nfs/dbraw/zinc/39/62/51/998396251.db2.gz FWDKMPFYIYUUKV-UHFFFAOYSA-N -1 0 345.317 3.845 20 0 EHADRM COc1ccc(-c2cc(CSc3ncccc3C(=O)[O-])on2)cc1 ZINC001599467940 998397577 /nfs/dbraw/zinc/39/75/77/998397577.db2.gz XYBJEYJFISDQAH-UHFFFAOYSA-N -1 0 342.376 3.736 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@H](CC(C)C)C1 ZINC001599370321 998399286 /nfs/dbraw/zinc/39/92/86/998399286.db2.gz FDWRKZHVNXPHQE-CYBMUJFWSA-N -1 0 334.416 3.683 20 0 EHADRM COc1ccc(Cl)c(NC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)c1 ZINC001599577163 998462979 /nfs/dbraw/zinc/46/29/79/998462979.db2.gz VJHJALDLGQCLBW-SCLBCKFNSA-N -1 0 345.782 3.546 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1cc(C)c2ccccc2n1 ZINC001599374334 998463367 /nfs/dbraw/zinc/46/33/67/998463367.db2.gz MSODOJMHMWRCGU-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 ZINC001594145237 998473410 /nfs/dbraw/zinc/47/34/10/998473410.db2.gz NVFDOCVUDOKVNA-OLPJDUCYSA-N -1 0 333.472 3.695 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=S)Nc1ccc2c(c1)CCC2 ZINC001599375185 998473787 /nfs/dbraw/zinc/47/37/87/998473787.db2.gz ILXWJHKGVQYDMP-UHFFFAOYSA-N -1 0 342.420 3.691 20 0 EHADRM COc1ccc(Cl)cc1CN(C)Cc1[nH]cc(C(=O)[O-])c1C1CC1 ZINC001599577964 998477807 /nfs/dbraw/zinc/47/78/07/998477807.db2.gz OCUOCGCOKLXHBQ-UHFFFAOYSA-N -1 0 348.830 3.884 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001594153483 998546950 /nfs/dbraw/zinc/54/69/50/998546950.db2.gz NFQOKKGBBWZEAA-ZHAHWJHGSA-N -1 0 348.296 3.586 20 0 EHADRM COCOc1ccc(CCC(=O)[O-])cc1NC(=O)C(C)=C1CCCC1 ZINC001599274863 998596696 /nfs/dbraw/zinc/59/66/96/998596696.db2.gz QNVUSLKTLQXLON-UHFFFAOYSA-N -1 0 347.411 3.516 20 0 EHADRM COC(=O)c1ccc(CSCc2ccccc2CC(=O)[O-])cc1F ZINC001598976467 998605680 /nfs/dbraw/zinc/60/56/80/998605680.db2.gz XTFYSRMTCGAACN-UHFFFAOYSA-N -1 0 348.395 3.673 20 0 EHADRM COC(=O)c1ccc(NC(=O)C[C@@H](C)C2CCCCC2)cc1C(=O)[O-] ZINC001598979280 998639881 /nfs/dbraw/zinc/63/98/81/998639881.db2.gz ZNDWKSDXOXQNFO-GFCCVEGCSA-N -1 0 347.411 3.716 20 0 EHADRM COC(=O)c1ccc2nc(SC[C@@H]3CCCC[C@H]3C(=O)[O-])oc2c1 ZINC001598991879 998745037 /nfs/dbraw/zinc/74/50/37/998745037.db2.gz WPMSOCUOBGIPRS-NWDGAFQWSA-N -1 0 349.408 3.598 20 0 EHADRM COC(=O)c1cccc([C@H](Sc2cc(F)ccc2F)C(=O)[O-])c1 ZINC001598993288 998756783 /nfs/dbraw/zinc/75/67/83/998756783.db2.gz UOGDIBURACQZOM-AWEZNQCLSA-N -1 0 338.331 3.669 20 0 EHADRM COC(=O)c1cccc([C@@H](SCCCc2ccccc2)C(=O)[O-])c1 ZINC001598993715 998760104 /nfs/dbraw/zinc/76/01/04/998760104.db2.gz XTBZJHULCKDMDB-QGZVFWFLSA-N -1 0 344.432 3.965 20 0 EHADRM CC1CC(C(=O)Nc2cccc(C(=O)[O-])n2)(c2cccc(Cl)c2)C1 ZINC001594204454 998787140 /nfs/dbraw/zinc/78/71/40/998787140.db2.gz ZZYIPMUFOBCIEC-UHFFFAOYSA-N -1 0 344.798 3.740 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1C(=O)c1cc2c(cccc2F)s1 ZINC001594206066 998792686 /nfs/dbraw/zinc/79/26/86/998792686.db2.gz OQSHKWDHMIKSAW-JGPRNRPPSA-N -1 0 335.400 3.754 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1C(=O)c1sccc1SC(F)F ZINC001594207319 998798035 /nfs/dbraw/zinc/79/80/35/998798035.db2.gz AAEGIWXBMNFMMN-AYMMMOKOSA-N -1 0 349.424 3.777 20 0 EHADRM C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001594213960 998824977 /nfs/dbraw/zinc/82/49/77/998824977.db2.gz HCPDXHZKMNQHEI-WMLDXEAASA-N -1 0 346.471 3.784 20 0 EHADRM C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001594215326 998829133 /nfs/dbraw/zinc/82/91/33/998829133.db2.gz RUYQHHJFZARLQM-HIFRSBDPSA-N -1 0 332.444 3.992 20 0 EHADRM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001594217529 998838290 /nfs/dbraw/zinc/83/82/90/998838290.db2.gz UWGXOWPOFQFKRR-XOKHGSTOSA-N -1 0 344.455 3.595 20 0 EHADRM C[C@@H]1C[C@H](CCNC(=O)Nc2cc(C(=O)[O-])ccn2)CC(C)(C)C1 ZINC001594233411 998889497 /nfs/dbraw/zinc/88/94/97/998889497.db2.gz VUSDEUIBZTVNEK-OLZOCXBDSA-N -1 0 333.432 3.754 20 0 EHADRM C[C@H]1CC(CCNc2ncc(C(=O)[O-])cc2C(F)(F)F)C[C@H](C)O1 ZINC001594235666 998896463 /nfs/dbraw/zinc/89/64/63/998896463.db2.gz JCGRRTPRHMRZDS-UWVGGRQHSA-N -1 0 346.349 3.804 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)/C=C\c2cc(C(=O)[O-])co2)C1 ZINC001594269198 999040778 /nfs/dbraw/zinc/04/07/78/999040778.db2.gz GSNYVIAYYRPTAA-XQSVNDDMSA-N -1 0 325.364 3.601 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2cc(F)cc(C(=O)[O-])c2)C1 ZINC001594270452 999044905 /nfs/dbraw/zinc/04/49/05/999044905.db2.gz UUVFVTARPXDMIR-APPDUMDISA-N -1 0 345.345 3.886 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CNC(=O)NCCCCC2(C(=O)[O-])CCC2)o1 ZINC001594279820 999085629 /nfs/dbraw/zinc/08/56/29/999085629.db2.gz LKVFXMGGTHGCSN-DZGCQCFKSA-N -1 0 348.443 3.627 20 0 EHADRM CO[C@@](C)(CNC(=O)Nc1cccc2cc(C(=O)[O-])sc21)C1CC1 ZINC001599037284 999091835 /nfs/dbraw/zinc/09/18/35/999091835.db2.gz VYBFDPDYESOLSJ-KRWDZBQOSA-N -1 0 348.424 3.536 20 0 EHADRM C[C@@H]1CC=C(C(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)CC1 ZINC001594290725 999119490 /nfs/dbraw/zinc/11/94/90/999119490.db2.gz DLUSCFTZRYTPPD-CKNLXJGOSA-N -1 0 327.424 3.726 20 0 EHADRM CO[C@@H](C)c1nsc(N[C@H](CCC(=O)[O-])CC2CCCCC2)n1 ZINC001599042047 999124375 /nfs/dbraw/zinc/12/43/75/999124375.db2.gz IDNHDNKPWPLAPH-WCQYABFASA-N -1 0 341.477 3.861 20 0 EHADRM CO[C@@H](C)c1nc(CNc2cccc(C(=O)[O-])c2Cl)cs1 ZINC001599043459 999134681 /nfs/dbraw/zinc/13/46/81/999134681.db2.gz VEZQUJVDYMQHMF-QMMMGPOBSA-N -1 0 326.805 3.814 20 0 EHADRM CC1CCC(C)(CNC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC001594296277 999141003 /nfs/dbraw/zinc/14/10/03/999141003.db2.gz PQZCXAWOOGDFOF-UHFFFAOYSA-N -1 0 332.444 3.743 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1CNC(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001594299343 999155857 /nfs/dbraw/zinc/15/58/57/999155857.db2.gz YCJBMTQVCJJBJO-YCPHGPKFSA-N -1 0 347.459 3.539 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C[C@H]1C ZINC001594315916 999223716 /nfs/dbraw/zinc/22/37/16/999223716.db2.gz ZAJABQVHQNCTNI-TXCZRRACSA-N -1 0 346.471 3.962 20 0 EHADRM CO[C@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001599060446 999261285 /nfs/dbraw/zinc/26/12/85/999261285.db2.gz ZXFBJBQAMYLESY-LJQANCHMSA-N -1 0 349.386 3.734 20 0 EHADRM CC1CCC(OCC(=O)Oc2cc(Cl)ccc2C(=O)[O-])CC1 ZINC001594329982 999268361 /nfs/dbraw/zinc/26/83/61/999268361.db2.gz HDWPPZAQQCKUHX-UHFFFAOYSA-N -1 0 326.776 3.539 20 0 EHADRM C[C@H](NC(=O)Cn1cc(C(=O)[O-])c2ccccc21)[C@H]1CCC[C@H](C)C1 ZINC001594354745 999339458 /nfs/dbraw/zinc/33/94/58/999339458.db2.gz FVPUOGIUJPMABG-KKUMJFAQSA-N -1 0 342.439 3.671 20 0 EHADRM C[C@H]1CCC[C@@H](OCCCCCC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001594356551 999347361 /nfs/dbraw/zinc/34/73/61/999347361.db2.gz XDHNMHPICKJNLX-VVLHAWIVSA-N -1 0 339.476 3.512 20 0 EHADRM C[C@@H]1CCC[C@@H]1CC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001594358265 999355324 /nfs/dbraw/zinc/35/53/24/999355324.db2.gz WNSBFLWCPDNQGK-QIJZBDPFSA-N -1 0 349.858 3.793 20 0 EHADRM C[C@@H]1CCCN(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)[C@H]1C ZINC001594377421 999422194 /nfs/dbraw/zinc/42/21/94/999422194.db2.gz CEQMQCADJHCYLP-BDAKNGLRSA-N -1 0 328.771 3.830 20 0 EHADRM C[C@@H]1CCCN(C(=O)/C=C/c2cc(C(=O)[O-])co2)c2ccccc21 ZINC001594377644 999423086 /nfs/dbraw/zinc/42/30/86/999423086.db2.gz AXRXZYIQHHUWGK-MMQHEFTJSA-N -1 0 325.364 3.922 20 0 EHADRM C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001594388453 999470315 /nfs/dbraw/zinc/47/03/15/999470315.db2.gz LAPBYTAERASDRE-CIYILRSASA-N -1 0 339.391 3.821 20 0 EHADRM C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001594389403 999475576 /nfs/dbraw/zinc/47/55/76/999475576.db2.gz XPNSBMKIFHHODA-VGDUNAEUSA-N -1 0 344.455 3.643 20 0 EHADRM C[C@@H]1CCN(C(=O)CCc2ccc(Cl)c(Cl)c2)[C@H](C(=O)[O-])C1 ZINC001594400397 999498878 /nfs/dbraw/zinc/49/88/78/999498878.db2.gz GLLDPQDBKXRUTB-YGRLFVJLSA-N -1 0 344.238 3.638 20 0 EHADRM C[C@H]1CCN(C(=O)CCc2ccc(C(=O)[O-])cc2)c2c(O)cccc21 ZINC001594401154 999501692 /nfs/dbraw/zinc/50/16/92/999501692.db2.gz UUUISGAAEVIUMK-ZDUSSCGKSA-N -1 0 339.391 3.563 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccc(Cl)cc2SCCC(=O)[O-])C1 ZINC001594406523 999522522 /nfs/dbraw/zinc/52/25/22/999522522.db2.gz ZGWWZECEAFLXAM-JTQLQIEISA-N -1 0 342.848 3.781 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc3c(cccc3Cl)s2)[C@@H](C(=O)[O-])C1 ZINC001594409875 999529965 /nfs/dbraw/zinc/52/99/65/999529965.db2.gz HXDZGFDGAAJKLZ-BXKDBHETSA-N -1 0 337.828 3.880 20 0 EHADRM C[C@H]1CCc2ccccc2[C@H]1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001594444789 999635609 /nfs/dbraw/zinc/63/56/09/999635609.db2.gz AJEHXSNHSUANSG-GTNSWQLSSA-N -1 0 342.370 3.969 20 0 EHADRM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001594445425 999636962 /nfs/dbraw/zinc/63/69/62/999636962.db2.gz JGLFSCOBFUOTCB-BZNIZROVSA-N -1 0 344.436 3.569 20 0 EHADRM C[C@@H]1CCc2ccccc2N1C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001594446208 999639445 /nfs/dbraw/zinc/63/94/45/999639445.db2.gz YKUVJLWRTPHPSS-CYBMUJFWSA-N -1 0 348.402 3.777 20 0 EHADRM C[C@H]1CN(C(=O)CC2(CC(=O)[O-])CCCC2)c2ccccc2S1 ZINC001594466965 999692405 /nfs/dbraw/zinc/69/24/05/999692405.db2.gz VNCKVSJKAFOVCE-ZDUSSCGKSA-N -1 0 333.453 3.939 20 0 EHADRM Cc1nc2cc([N-]S(=O)(=O)c3ccc(C)cc3Cl)ccc2[nH]1 ZINC000340145280 1016454612 /nfs/dbraw/zinc/45/46/12/1016454612.db2.gz XDDGKWZQNOCBMZ-UHFFFAOYSA-N -1 0 335.816 3.634 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)CC(C)(C)O3)o1 ZINC000430378366 1016551925 /nfs/dbraw/zinc/55/19/25/1016551925.db2.gz RMQKBKOMRAIKEE-UHFFFAOYSA-N -1 0 341.816 3.756 20 0 EHADRM O=C([O-])/C=C\c1cnc(/C=C\c2cc(Cl)cc3c2OCC3)s1 ZINC000782890140 1016553174 /nfs/dbraw/zinc/55/31/74/1016553174.db2.gz SWUIVVQCGFFIRB-CCAGOZQPSA-N -1 0 333.796 4.000 20 0 EHADRM O=C([O-])C[C@H]1CCCN(Cc2ccc(Br)c(Cl)c2)C1 ZINC000236426380 1016644573 /nfs/dbraw/zinc/64/45/73/1016644573.db2.gz LQGTYDOIHIVIBN-SNVBAGLBSA-N -1 0 346.652 3.789 20 0 EHADRM CCC(CC)[C@@H](NC(=O)NCC1(C(=O)[O-])CCC1)c1cccs1 ZINC000659394031 1016650479 /nfs/dbraw/zinc/65/04/79/1016650479.db2.gz KACJZHKMOLXCFY-CQSZACIVSA-N -1 0 338.473 3.780 20 0 EHADRM O=C(NCc1nccc2ccccc21)c1cc(F)cc(Cl)c1[O-] ZINC000178460463 1016672798 /nfs/dbraw/zinc/67/27/98/1016672798.db2.gz LBBFOQXUVPQDDT-UHFFFAOYSA-N -1 0 330.746 3.663 20 0 EHADRM Cn1ccc2c1cccc2[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000547822667 1016868977 /nfs/dbraw/zinc/86/89/77/1016868977.db2.gz XGOQXQPBWMEFEW-UHFFFAOYSA-N -1 0 343.433 3.589 20 0 EHADRM Cc1cc(Oc2ccc(NC(=O)c3cc(F)c([O-])c(F)c3)cc2)n[nH]1 ZINC000180156134 1016888352 /nfs/dbraw/zinc/88/83/52/1016888352.db2.gz ZNFQCCHWOVLYRY-UHFFFAOYSA-N -1 0 345.305 3.747 20 0 EHADRM CC(C)(C)c1ccc(O)c(NC(=O)c2cc(=O)c3ccccc3[n-]2)c1 ZINC000340300336 1016901363 /nfs/dbraw/zinc/90/13/63/1016901363.db2.gz BQOIMNXZRSYLRK-UHFFFAOYSA-N -1 0 336.391 3.784 20 0 EHADRM C[C@H](NC(=O)c1ccc(O)cc1F)c1ccc(OC(F)(F)F)cc1 ZINC000181118206 1016911176 /nfs/dbraw/zinc/91/11/76/1016911176.db2.gz BBJWAEWEQCYGSJ-VIFPVBQESA-N -1 0 343.276 3.921 20 0 EHADRM O=c1nc(CN[C@@H](c2ccccc2)c2ccccn2)[n-]c2ccsc21 ZINC000340329439 1016953239 /nfs/dbraw/zinc/95/32/39/1016953239.db2.gz FMNCMHHTFCNSDO-KRWDZBQOSA-N -1 0 348.431 3.671 20 0 EHADRM C[C@H](NC(=O)c1cccc(Cl)c1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655583893 1016964854 /nfs/dbraw/zinc/96/48/54/1016964854.db2.gz CHJIOCTVPOPXOF-INTQDDNPSA-N -1 0 344.238 3.859 20 0 EHADRM CCN(C(=O)c1ccc(O[C@@H](C)c2ccccc2)cc1)[C@H](C)C(=O)[O-] ZINC000659769710 1016983491 /nfs/dbraw/zinc/98/34/91/1016983491.db2.gz KCVGEBSJSYATGR-CABCVRRESA-N -1 0 341.407 3.762 20 0 EHADRM CCO[C@@H](C)c1nc(CN(CC2CC2)[C@](C)(CC)C(=O)[O-])cs1 ZINC000659792508 1017021423 /nfs/dbraw/zinc/02/14/23/1017021423.db2.gz BBPOQDSNKGYQTM-YVEFUNNKSA-N -1 0 340.489 3.706 20 0 EHADRM CCCCN(C)C(=O)N=c1[n-]nc(-c2ccc(Cl)cc2F)s1 ZINC000471318732 1017039752 /nfs/dbraw/zinc/03/97/52/1017039752.db2.gz VJZCLXAJDFIROO-UHFFFAOYSA-N -1 0 342.827 3.683 20 0 EHADRM CSCc1ccccc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000184028952 1032227223 /nfs/dbraw/zinc/22/72/23/1032227223.db2.gz USBQLRAOAJYFKS-UHFFFAOYSA-N -1 0 344.461 3.899 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)CCc1ccnc2ccccc12)C(=O)[O-] ZINC000449141995 1032245792 /nfs/dbraw/zinc/24/57/92/1032245792.db2.gz FRGIRAJVFQRUMJ-QGZVFWFLSA-N -1 0 342.439 3.563 20 0 EHADRM O=C([O-])CCCCCNC(=O)N1CCCC[C@@H]1CCc1ccccc1 ZINC000414626238 1017076053 /nfs/dbraw/zinc/07/60/53/1017076053.db2.gz LRLBMYFAZNMBPR-GOSISDBHSA-N -1 0 346.471 3.828 20 0 EHADRM O=C(C[C@]1(C(=O)[O-])CCSC1)Nc1ccc(OC2CCCC2)cc1 ZINC000146977903 1032320132 /nfs/dbraw/zinc/32/01/32/1032320132.db2.gz LOFCYUUBVSIDFZ-GOSISDBHSA-N -1 0 349.452 3.545 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000538505382 1032403642 /nfs/dbraw/zinc/40/36/42/1032403642.db2.gz SKHKSZNQOZMTCF-AWEZNQCLSA-N -1 0 343.345 3.859 20 0 EHADRM COc1cccc(N=c2[n-]nc(C3CCC3)n2Cc2cccs2)c1 ZINC000461319300 1032408509 /nfs/dbraw/zinc/40/85/09/1032408509.db2.gz AMPWRGHMGLVHBK-UHFFFAOYSA-N -1 0 340.452 3.830 20 0 EHADRM C[C@H]1CN(C(=O)CCCc2csc3ccccc23)CC[C@@H]1C(=O)[O-] ZINC000263027252 1032412021 /nfs/dbraw/zinc/41/20/21/1032412021.db2.gz QQSDCCVDRGLBJG-ZFWWWQNUSA-N -1 0 345.464 3.793 20 0 EHADRM Cc1c(Cl)cc(NC(=O)C[C@@]2(C(=O)[O-])CCSC2)cc1Cl ZINC000147046172 1032422637 /nfs/dbraw/zinc/42/26/37/1032422637.db2.gz SILBJWDWEQXCRU-AWEZNQCLSA-N -1 0 348.251 3.838 20 0 EHADRM CCOCc1cccc([N-]S(=O)(=O)c2cnc3ccsc3c2)c1 ZINC000084460849 1032430501 /nfs/dbraw/zinc/43/05/01/1032430501.db2.gz KHCJCLANWNQXHQ-UHFFFAOYSA-N -1 0 348.449 3.634 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cccc2ccccc21 ZINC000084460617 1032430628 /nfs/dbraw/zinc/43/06/28/1032430628.db2.gz UFQOEHGRPPNWPB-UHFFFAOYSA-N -1 0 341.388 3.647 20 0 EHADRM COc1cc(C)c([N-]S(=O)(=O)c2cc3ccccc3o2)cc1OC ZINC000084920047 1032467791 /nfs/dbraw/zinc/46/77/91/1032467791.db2.gz BYZHQQVTYNGNGG-UHFFFAOYSA-N -1 0 347.392 3.559 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1C ZINC000536988821 1032463753 /nfs/dbraw/zinc/46/37/53/1032463753.db2.gz PCSKGJLBTUYFBL-UHFFFAOYSA-N -1 0 329.393 3.796 20 0 EHADRM CC[C@H]1C[C@@]1(NC(=O)NC1CCC(C(=O)[O-])CC1)c1cccc(C)c1 ZINC000414633453 1017096446 /nfs/dbraw/zinc/09/64/46/1017096446.db2.gz ZLSMOKBAUYYQLY-FGFUGZQNSA-N -1 0 344.455 3.563 20 0 EHADRM Cc1ccc([C@@H](C)CNC(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000579912054 1017099325 /nfs/dbraw/zinc/09/93/25/1017099325.db2.gz XCTHGQUXSMSQQU-MAUKXSAKSA-N -1 0 340.423 3.566 20 0 EHADRM Cc1cc(NC(=O)CC2(C(=O)[O-])CCC2)cc(C)c1Br ZINC000261877723 1032557734 /nfs/dbraw/zinc/55/77/34/1032557734.db2.gz ZXRPJWSBTZDADQ-UHFFFAOYSA-N -1 0 340.217 3.649 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])CC2 ZINC000602014046 1032581526 /nfs/dbraw/zinc/58/15/26/1032581526.db2.gz WVSLJRWDIMMXCI-MQIPJXDCSA-N -1 0 335.469 3.508 20 0 EHADRM C[C@@H](S[C@H](C)C(=O)Nc1ccc(-c2ccco2)cc1F)C(=O)[O-] ZINC000601993607 1032585331 /nfs/dbraw/zinc/58/53/31/1032585331.db2.gz SQEPEESKYUDARD-NXEZZACHSA-N -1 0 337.372 3.619 20 0 EHADRM CC[C@@H]1CN(C(=O)[C@H](C)S[C@H](C)C(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000602001449 1032588192 /nfs/dbraw/zinc/58/81/92/1032588192.db2.gz NYGMZGCGNWEUKX-HWMZRRJGSA-N -1 0 349.496 3.624 20 0 EHADRM Cc1cc2c[nH]nc2cc1NC(=O)c1cccc(Br)c1[O-] ZINC000592872787 1032601942 /nfs/dbraw/zinc/60/19/42/1032601942.db2.gz PFMOXZMIIPAIAU-UHFFFAOYSA-N -1 0 346.184 3.592 20 0 EHADRM CC[C@H]1CCCN1C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000530744497 1017195063 /nfs/dbraw/zinc/19/50/63/1017195063.db2.gz NHDURZMTJUHPBS-HNNXBMFYSA-N -1 0 327.428 3.716 20 0 EHADRM CCCN(CCC)C(=O)N=c1[n-]nc(-c2cc(F)ccc2C)s1 ZINC000471378079 1017219976 /nfs/dbraw/zinc/21/99/76/1017219976.db2.gz OLFHHSBYWXGBRO-UHFFFAOYSA-N -1 0 336.436 3.728 20 0 EHADRM CC(C)C(=O)Nc1cccc(NC(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000183382163 1017308078 /nfs/dbraw/zinc/30/80/78/1017308078.db2.gz QLGLZNBTPPKAKC-UHFFFAOYSA-N -1 0 334.322 3.517 20 0 EHADRM CC1(C(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)CCCCCC1 ZINC000183523337 1017341761 /nfs/dbraw/zinc/34/17/61/1017341761.db2.gz ANFCRGYUKMZNNG-UHFFFAOYSA-N -1 0 335.878 3.567 20 0 EHADRM Cc1ccc([C@H]([N-]S(=O)(=O)c2ccc(C)s2)C(F)(F)F)o1 ZINC000655660776 1017349990 /nfs/dbraw/zinc/34/99/90/1017349990.db2.gz VJJAPYAJXPJDFB-NSHDSACASA-N -1 0 339.360 3.540 20 0 EHADRM [O-]c1c(Cl)cc(Cl)cc1CNc1ccc(-n2nccn2)cc1 ZINC000238043732 1017444179 /nfs/dbraw/zinc/44/41/79/1017444179.db2.gz LJKONKUVKZTQSP-UHFFFAOYSA-N -1 0 335.194 3.892 20 0 EHADRM O=C(OC[C@@H]1C[C@@H]2CCC[C@H]2O1)c1cccc2[nH]c(C(F)F)nc21 ZINC000924085851 1017475899 /nfs/dbraw/zinc/47/58/99/1017475899.db2.gz VEJPICJPSAZDED-OUJBWJOFSA-N -1 0 336.338 3.615 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(Cl)cc1F)C1CCCCC1 ZINC000537403338 1032704999 /nfs/dbraw/zinc/70/49/99/1032704999.db2.gz KWNQOLJNBFUSOE-AWEZNQCLSA-N -1 0 327.783 3.633 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCCO[C@@H](c2ccccc2)C1 ZINC000683619223 1017725337 /nfs/dbraw/zinc/72/53/37/1017725337.db2.gz IMQKSPDSUOJPMT-MRXNPFEDSA-N -1 0 349.789 3.789 20 0 EHADRM CC(C)[C@H](CNC(=O)N[C@@H](C)c1cccc2ccccc21)C(=O)[O-] ZINC000655859402 1017804071 /nfs/dbraw/zinc/80/40/71/1017804071.db2.gz KDDZDEPHEIKILD-GUYCJALGSA-N -1 0 328.412 3.557 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@]2(c3ccccc3)CC2(C)C)cc1C(=O)[O-] ZINC000659129983 1017833393 /nfs/dbraw/zinc/83/33/93/1017833393.db2.gz GIYLCIWBRYZPTM-HXUWFJFHSA-N -1 0 341.407 3.613 20 0 EHADRM CC(C)CN(C(=O)NC[C@H](C)C(=O)[O-])[C@H](C)c1ccccc1Cl ZINC000655881937 1017851434 /nfs/dbraw/zinc/85/14/34/1017851434.db2.gz RYTWCLNOVVHZIH-QWHCGFSZSA-N -1 0 340.851 3.789 20 0 EHADRM CC(C)C[C@H]1CCCN(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1 ZINC000655901017 1017882258 /nfs/dbraw/zinc/88/22/58/1017882258.db2.gz FLEHBNVKVBUXPE-XUWVNRHRSA-N -1 0 338.492 3.590 20 0 EHADRM COC(=O)c1sc2cccnc2c1Nc1ccc(C(=O)[O-])c(C)c1 ZINC001211650225 1018052381 /nfs/dbraw/zinc/05/23/81/1018052381.db2.gz WADABZSIEBLAJL-UHFFFAOYSA-N -1 0 342.376 3.833 20 0 EHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000761375220 1032746043 /nfs/dbraw/zinc/74/60/43/1032746043.db2.gz FJXWLMLPVCRYQI-ZRDIBKRKSA-N -1 0 329.783 3.758 20 0 EHADRM O=C(N[C@H](c1ccccc1)c1ccccn1)c1cc(F)c([O-])c(F)c1 ZINC000377966774 1018606232 /nfs/dbraw/zinc/60/62/32/1018606232.db2.gz RCVLJZAYOYLCTE-QGZVFWFLSA-N -1 0 340.329 3.585 20 0 EHADRM CCc1ccc(N=c2[n-]nc([C@@H]3CC[C@H](C)O3)n2C2CC2)cc1OC ZINC000580085966 1018618223 /nfs/dbraw/zinc/61/82/23/1018618223.db2.gz AMRMQDQSJCMXIU-LRDDRELGSA-N -1 0 342.443 3.590 20 0 EHADRM Cc1ccc(-c2ccc(NC(=O)C(C)(C)C)nc2)cc1CC(=O)[O-] ZINC000580096258 1018638764 /nfs/dbraw/zinc/63/87/64/1018638764.db2.gz ZBHJEPRPGSJCTN-UHFFFAOYSA-N -1 0 326.396 3.669 20 0 EHADRM CCc1cccc(C)c1N=c1[n-]nc(SCc2ccn(C)n2)s1 ZINC000580099329 1018644936 /nfs/dbraw/zinc/64/49/36/1018644936.db2.gz ARCOSTUFMFYPQI-UHFFFAOYSA-N -1 0 345.497 3.600 20 0 EHADRM Cc1ccc(-c2[n-][nH]c(=NC(=O)c3c(F)ccc(C)c3F)c2C)o1 ZINC000584093125 1018673448 /nfs/dbraw/zinc/67/34/48/1018673448.db2.gz DYLWREBEEQHRQP-UHFFFAOYSA-N -1 0 331.322 3.547 20 0 EHADRM CCS(=O)(=O)c1ccc(-c2ccc(C(C)C)cc2)c(C(=O)[O-])c1 ZINC000580214486 1018805379 /nfs/dbraw/zinc/80/53/79/1018805379.db2.gz XDMPUJLZBSSHEP-UHFFFAOYSA-N -1 0 332.421 3.969 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)c(F)c1 ZINC000630304580 1018840278 /nfs/dbraw/zinc/84/02/78/1018840278.db2.gz ASFAAHIAIOONFM-RHSMWYFYSA-N -1 0 327.355 3.590 20 0 EHADRM Cc1ccc([C@@H](C)N(C)C(=O)N=c2[n-]nc(C3CC3)s2)c(C)c1 ZINC000549920429 1019101638 /nfs/dbraw/zinc/10/16/38/1019101638.db2.gz USAGMRNEUXZBAI-GFCCVEGCSA-N -1 0 330.457 3.679 20 0 EHADRM O=C([O-])c1ccccc1Nc1ccc(C(=O)NCc2ccco2)cc1 ZINC001210967690 1019149356 /nfs/dbraw/zinc/14/93/56/1019149356.db2.gz RNKUBCHKHGYSTD-UHFFFAOYSA-N -1 0 336.347 3.651 20 0 EHADRM Nc1ccc(C(=O)Nc2ccc(Nc3ccccc3C(=O)[O-])cc2)cc1 ZINC001210969403 1019149369 /nfs/dbraw/zinc/14/93/69/1019149369.db2.gz QYWARLNNSJQMNC-UHFFFAOYSA-N -1 0 347.374 3.963 20 0 EHADRM O=C([O-])c1ccccc1Nc1ccc(OC2CCOCC2)c(F)c1 ZINC001210968096 1019150038 /nfs/dbraw/zinc/15/00/38/1019150038.db2.gz DUHWMCKIFFEXCV-UHFFFAOYSA-N -1 0 331.343 3.825 20 0 EHADRM COc1ccc(NC(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])cc1 ZINC000683921154 1019242204 /nfs/dbraw/zinc/24/22/04/1019242204.db2.gz IGZSYMGYDDMXAC-YOEHRIQHSA-N -1 0 346.427 3.583 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N[C@@]2(C)CCCC[C@H]2C)n1 ZINC001625864753 1019322174 /nfs/dbraw/zinc/32/21/74/1019322174.db2.gz ZNPCKBVWTSFYDQ-VLIAUNLRSA-N -1 0 341.455 3.839 20 0 EHADRM COCc1cc(-c2cc(C)ccc2O[C@H](C)C(=O)[O-])ccc1OC ZINC000515671313 1032826710 /nfs/dbraw/zinc/82/67/10/1032826710.db2.gz FEXXFZRHVMETGB-CYBMUJFWSA-N -1 0 330.380 3.669 20 0 EHADRM Cc1cn([C@@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1cccs1 ZINC000471580048 1019425986 /nfs/dbraw/zinc/42/59/86/1019425986.db2.gz DWDIXXYVNZTTLM-ZDUSSCGKSA-N -1 0 347.465 3.663 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C[C@H]1OCc2ccccc21 ZINC000656237726 1019504025 /nfs/dbraw/zinc/50/40/25/1019504025.db2.gz DANMVVPDMSSWJU-QGZVFWFLSA-N -1 0 325.364 3.602 20 0 EHADRM O=S(=O)(Cc1cccc(C(F)(F)F)c1)c1nc2ccccc2[n-]1 ZINC000047940129 1019540386 /nfs/dbraw/zinc/54/03/86/1019540386.db2.gz RGLLCVLPZGSTAM-UHFFFAOYSA-N -1 0 340.326 3.556 20 0 EHADRM CCC[C@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000262146696 1019548820 /nfs/dbraw/zinc/54/88/20/1019548820.db2.gz OYLQBZMWGRKTGQ-MJBXVCDLSA-N -1 0 343.345 3.774 20 0 EHADRM CC(C)(C)SCC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000262417232 1019621891 /nfs/dbraw/zinc/62/18/91/1019621891.db2.gz CCTUBALSPLWTBF-UHFFFAOYSA-N -1 0 347.436 3.773 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2ccccc2OC(F)F)c1 ZINC000433811000 1019637569 /nfs/dbraw/zinc/63/75/69/1019637569.db2.gz NAFRVNHWNLORSR-UHFFFAOYSA-N -1 0 327.352 3.651 20 0 EHADRM CC(C)(C)c1cc(CN2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])no1 ZINC000580572349 1019658064 /nfs/dbraw/zinc/65/80/64/1019658064.db2.gz TXFSLYBSSAGRIA-GDBMZVCRSA-N -1 0 334.460 3.828 20 0 EHADRM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1n[nH]c2ccccc21 ZINC000760319434 1032852038 /nfs/dbraw/zinc/85/20/38/1032852038.db2.gz ZJALORIGNAJOMM-UHFFFAOYSA-N -1 0 345.355 3.557 20 0 EHADRM CC(C)(CCNC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000262864540 1019750463 /nfs/dbraw/zinc/75/04/63/1019750463.db2.gz AYEYDILRQKMESQ-SJORKVTESA-N -1 0 325.408 3.560 20 0 EHADRM Cc1sc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)nc1-c1ccc(C)cc1 ZINC000650290696 1019767573 /nfs/dbraw/zinc/76/75/73/1019767573.db2.gz VUWLCKCIIIOPOX-KGLIPLIRSA-N -1 0 344.436 3.866 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N[C@@](C)(CC(=O)[O-])C(C)C)c1 ZINC000262996993 1019785241 /nfs/dbraw/zinc/78/52/41/1019785241.db2.gz ONEBATUBNXYNAV-HNNXBMFYSA-N -1 0 329.849 3.681 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N[C@](C)(CC(=O)[O-])C(C)C)c1 ZINC000262996994 1019785341 /nfs/dbraw/zinc/78/53/41/1019785341.db2.gz ONEBATUBNXYNAV-OAHLLOKOSA-N -1 0 329.849 3.681 20 0 EHADRM Cc1ccc2c(C(=O)N3CCC4(C[C@@H]4C(=O)[O-])CC3)csc2c1 ZINC000263165063 1019829959 /nfs/dbraw/zinc/82/99/59/1019829959.db2.gz PGJQOISPFZZPOU-CQSZACIVSA-N -1 0 329.421 3.537 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000263329100 1019873395 /nfs/dbraw/zinc/87/33/95/1019873395.db2.gz LLRPCSFXOCUUKB-MRXNPFEDSA-N -1 0 339.391 3.758 20 0 EHADRM CC[C@H](N=c1[n-]c(C(=O)OC)c(C)s1)c1cc(F)ccc1F ZINC000434077537 1019925305 /nfs/dbraw/zinc/92/53/05/1019925305.db2.gz SLNYIKFSGDXAPO-LBPRGKRZSA-N -1 0 326.368 3.501 20 0 EHADRM COc1cccc([C@@H](C)C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC000588388004 1019999095 /nfs/dbraw/zinc/99/90/95/1019999095.db2.gz BEXUALVQOVUPAD-BIRHUZIMSA-N -1 0 325.364 3.535 20 0 EHADRM CCCNC(=O)N[N-]C(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000137561737 1032867724 /nfs/dbraw/zinc/86/77/24/1032867724.db2.gz YQQSAVVIRASDJM-UHFFFAOYSA-N -1 0 346.239 3.562 20 0 EHADRM Cc1cc([C@@H](N=c2nc(C(F)(F)F)[n-]s2)C2CC2)ccc1F ZINC000557626110 1020007319 /nfs/dbraw/zinc/00/73/19/1020007319.db2.gz OMHGFUPIBXRHRU-NSHDSACASA-N -1 0 331.338 3.990 20 0 EHADRM O=C(N[C@@H](c1cc(F)ccc1F)C(F)F)c1c([O-])cc(F)cc1F ZINC000684071096 1020050352 /nfs/dbraw/zinc/05/03/52/1020050352.db2.gz KSBBNCQJJWRXTD-ZDUSSCGKSA-N -1 0 349.230 3.685 20 0 EHADRM CCCC[C@@H](NC(=O)CCCOc1ccc(Cl)c(C)c1)C(=O)[O-] ZINC000345203251 1020059382 /nfs/dbraw/zinc/05/93/82/1020059382.db2.gz BYDJHHZVKHQOEP-OAHLLOKOSA-N -1 0 341.835 3.567 20 0 EHADRM Cc1cccc([C@H](C)CNC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000580871143 1020164322 /nfs/dbraw/zinc/16/43/22/1020164322.db2.gz KITFLZSOZFUQFV-QAPCUYQASA-N -1 0 340.423 3.566 20 0 EHADRM CO[C@]1(C)CCCN(C(=O)c2c([O-])cc(Cl)cc2Cl)CC1 ZINC000280177623 1020168767 /nfs/dbraw/zinc/16/87/67/1020168767.db2.gz ZNWMLUTWHZJSAD-OAHLLOKOSA-N -1 0 332.227 3.730 20 0 EHADRM CCC[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000728310608 1020226958 /nfs/dbraw/zinc/22/69/58/1020226958.db2.gz OURCHIMTUWHLLM-SMDDNHRTSA-N -1 0 345.468 3.713 20 0 EHADRM CC[C@H]1CCCCCN1C(=O)N=c1[n-]nc(Cc2ccccc2)s1 ZINC000606934712 1032887667 /nfs/dbraw/zinc/88/76/67/1032887667.db2.gz JXQFQSURXURVSD-HNNXBMFYSA-N -1 0 344.484 3.737 20 0 EHADRM CC[C@](C)(NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000548146328 1020269012 /nfs/dbraw/zinc/26/90/12/1020269012.db2.gz KBYNROCEKZANHR-JTQLQIEISA-N -1 0 349.296 3.715 20 0 EHADRM CCCN(CC(F)F)[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000580956181 1020307212 /nfs/dbraw/zinc/30/72/12/1020307212.db2.gz YHNZEKHIBYXRME-LBPRGKRZSA-N -1 0 325.277 3.808 20 0 EHADRM Cc1ccc(-c2cc(F)ccc2OC[C@H]2CCOC2)cc1C(=O)[O-] ZINC000580962174 1020309008 /nfs/dbraw/zinc/30/90/08/1020309008.db2.gz BKOOXTARHMETGH-ZDUSSCGKSA-N -1 0 330.355 3.915 20 0 EHADRM CC(C)c1csc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)n1 ZINC000175972679 1020382100 /nfs/dbraw/zinc/38/21/00/1020382100.db2.gz NFVLYWGZCXWTLY-UHFFFAOYSA-N -1 0 334.466 3.996 20 0 EHADRM CCCn1ccc2ccc(NC(=O)N[C@@H](C(=O)[O-])[C@@H](C)CC)cc21 ZINC000581049722 1020385049 /nfs/dbraw/zinc/38/50/49/1020385049.db2.gz HLYKNPMLQSLMNS-BLLLJJGKSA-N -1 0 331.416 3.672 20 0 EHADRM O=C(CCSc1ccccn1)Nc1cc(Cl)c([O-])cc1F ZINC000345658574 1020430194 /nfs/dbraw/zinc/43/01/94/1020430194.db2.gz PIJQXORKVKKMPI-UHFFFAOYSA-N -1 0 326.780 3.701 20 0 EHADRM O=C([N-]Cc1cccnc1Oc1cccc(F)c1)C(F)(F)C(F)F ZINC000175981306 1020431178 /nfs/dbraw/zinc/43/11/78/1020431178.db2.gz WUTYDDUCTFPKFP-UHFFFAOYSA-N -1 0 346.255 3.530 20 0 EHADRM CCO[C@H](C(=O)Nc1cc(C)c(C)c(C(=O)[O-])c1)c1ccccc1 ZINC000345860950 1020563882 /nfs/dbraw/zinc/56/38/82/1020563882.db2.gz ISKCPXPTWCKHCB-KRWDZBQOSA-N -1 0 327.380 3.718 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000345898278 1020595117 /nfs/dbraw/zinc/59/51/17/1020595117.db2.gz CVDZVSNQCYNFFZ-LJQANCHMSA-N -1 0 348.402 3.936 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)ccc2O)s1 ZINC000035133732 1032913367 /nfs/dbraw/zinc/91/33/67/1032913367.db2.gz LXGYLYFPDRCEJT-UHFFFAOYSA-N -1 0 325.455 3.860 20 0 EHADRM COc1nc(C(F)(F)F)ccc1-c1ccc([C@H](C)C(=O)[O-])cc1 ZINC000581321283 1020686700 /nfs/dbraw/zinc/68/67/00/1020686700.db2.gz FCQNVQOTLXQNCA-VIFPVBQESA-N -1 0 325.286 3.964 20 0 EHADRM CCc1ccc(NC(=O)N(C)[C@@H](C(=O)[O-])c2cccc(OC)c2)cc1 ZINC000656475505 1020696241 /nfs/dbraw/zinc/69/62/41/1020696241.db2.gz WGWMNGVLUBZBIH-QGZVFWFLSA-N -1 0 342.395 3.547 20 0 EHADRM Cc1ccccc1-c1n[n-]c(=NCc2cnc(-c3ccccn3)s2)o1 ZINC000581343392 1020717729 /nfs/dbraw/zinc/71/77/29/1020717729.db2.gz PXUIHLIBYXKWMY-UHFFFAOYSA-N -1 0 349.419 3.598 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cccc(OC(F)F)c2)CCCCC1 ZINC000048383479 1020732834 /nfs/dbraw/zinc/73/28/34/1020732834.db2.gz MSUUKALQNBZQLW-UHFFFAOYSA-N -1 0 327.327 3.652 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@H](C)c1c(Cl)cccc1Cl ZINC000676868385 1020808846 /nfs/dbraw/zinc/80/88/46/1020808846.db2.gz LRNFIBXQTJOGJC-VHSXEESVSA-N -1 0 332.227 3.809 20 0 EHADRM O=C([O-])Cc1cc(Cl)ccc1-c1cccc(CO[C@@H]2CCOC2)c1 ZINC000581439859 1020918248 /nfs/dbraw/zinc/91/82/48/1020918248.db2.gz LISDXGWOAHUQMO-QGZVFWFLSA-N -1 0 346.810 3.940 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)c2ccc(SC3CC3)cc2)s1 ZINC000341091730 1020973177 /nfs/dbraw/zinc/97/31/77/1020973177.db2.gz SNXYYBXQOKQWIW-UHFFFAOYSA-N -1 0 333.482 3.665 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)c1ccc(Sc2ccccn2)cc1 ZINC000341209427 1021102165 /nfs/dbraw/zinc/10/21/65/1021102165.db2.gz RASXSHUQZRPAOA-UHFFFAOYSA-N -1 0 348.431 3.574 20 0 EHADRM Cc1ccsc1[C@H]1C[C@H]1C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000439124311 1021167307 /nfs/dbraw/zinc/16/73/07/1021167307.db2.gz OEYSVWNBPHCUPA-QWHCGFSZSA-N -1 0 341.461 3.739 20 0 EHADRM COc1cccc(Cn2nccc2Nc2ccc(C(=O)[O-])cc2C)c1 ZINC001211620878 1032960812 /nfs/dbraw/zinc/96/08/12/1032960812.db2.gz LQZGVDUYZWIMSB-UHFFFAOYSA-N -1 0 337.379 3.690 20 0 EHADRM Cc1ccnc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1C1CC1 ZINC000656738220 1021232327 /nfs/dbraw/zinc/23/23/27/1021232327.db2.gz HBJQILOGCLVXJR-UHFFFAOYSA-N -1 0 340.807 3.861 20 0 EHADRM O=C([O-])[C@H]1CC[C@@H]1C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000507401420 1021253638 /nfs/dbraw/zinc/25/36/38/1021253638.db2.gz JEZMBUQDOBBGPR-HOTGVXAUSA-N -1 0 329.327 3.667 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CSc2cccc(OC)c2)c1 ZINC000436830264 1021262755 /nfs/dbraw/zinc/26/27/55/1021262755.db2.gz CUTXUDQWIZNTRA-UHFFFAOYSA-N -1 0 345.420 3.724 20 0 EHADRM O=C(Nc1ncc(-c2cccnc2)s1)c1ccc([O-])c(Cl)c1 ZINC000436837141 1021268952 /nfs/dbraw/zinc/26/89/52/1021268952.db2.gz JGTATMLQFVBZBZ-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)c2cc(C(C)C)c(O)cc2C)s1 ZINC000436856309 1021280652 /nfs/dbraw/zinc/28/06/52/1021280652.db2.gz MHZWNGJWXAZEAO-UHFFFAOYSA-N -1 0 333.457 3.692 20 0 EHADRM C[C@H](NC(=O)c1cc(F)cc(Br)c1[O-])c1cccs1 ZINC000436846979 1021291541 /nfs/dbraw/zinc/29/15/41/1021291541.db2.gz DBARXQDJQJESBM-ZETCQYMHSA-N -1 0 344.205 3.846 20 0 EHADRM COc1cccc(/C=C\c2nc3c(cccc3C(=O)[O-])o2)c1OC ZINC000439276018 1021312756 /nfs/dbraw/zinc/31/27/56/1021312756.db2.gz RJDCBKKQQWXVAH-KTKRTIGZSA-N -1 0 325.320 3.714 20 0 EHADRM C/C=C/COc1cccc(CC(=O)Nc2ccc(F)c(F)c2[O-])c1 ZINC001625988289 1032969500 /nfs/dbraw/zinc/96/95/00/1032969500.db2.gz UFZNCZDFOGLCJZ-NSCUHMNNSA-N -1 0 333.334 3.807 20 0 EHADRM CC[C@H](C)CN(CC)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000436856337 1021322774 /nfs/dbraw/zinc/32/27/74/1021322774.db2.gz XLRGZSVVUHWFBK-VIFPVBQESA-N -1 0 332.213 3.802 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)c1 ZINC000436877387 1021327191 /nfs/dbraw/zinc/32/71/91/1021327191.db2.gz OUHAJZISLQAFJX-UONOGXRCSA-N -1 0 331.318 3.615 20 0 EHADRM O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1cc(F)c([O-])c(Cl)c1 ZINC000436882356 1021333536 /nfs/dbraw/zinc/33/35/36/1021333536.db2.gz RFJSJRVUVYHNAU-UHFFFAOYSA-N -1 0 345.660 3.759 20 0 EHADRM O=C(Nc1cccc(N2CCCCC2=O)c1)c1cc(Cl)ccc1[O-] ZINC000436911050 1021357062 /nfs/dbraw/zinc/35/70/62/1021357062.db2.gz ROHSFMJMEDROSF-UHFFFAOYSA-N -1 0 344.798 3.815 20 0 EHADRM O=C(N[C@H](CO)c1ccsc1)c1cc(Cl)c2ccccc2c1[O-] ZINC000436911826 1021358711 /nfs/dbraw/zinc/35/87/11/1021358711.db2.gz BADSPKULQDLWOV-OAHLLOKOSA-N -1 0 347.823 3.724 20 0 EHADRM COc1cc(/C=C/c2nc3ccc(C(=O)[O-])cc3s2)ccc1O ZINC000436921537 1021379071 /nfs/dbraw/zinc/37/90/71/1021379071.db2.gz VTIWYDFKGCQGRE-XVNBXDOJSA-N -1 0 327.361 3.879 20 0 EHADRM C[C@@]1(CNC(=O)c2cc(F)c([O-])c(F)c2)CCCc2ccccc21 ZINC000436963327 1021409550 /nfs/dbraw/zinc/40/95/50/1021409550.db2.gz BYNJDBMPOBOJEF-IBGZPJMESA-N -1 0 331.362 3.694 20 0 EHADRM C[C@@H]1COCC[C@@H]1NC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436949126 1021410496 /nfs/dbraw/zinc/41/04/96/1021410496.db2.gz LPLZGDRBTJYQSC-PXAZEXFGSA-N -1 0 345.826 3.867 20 0 EHADRM O=C(Nc1ccc2[nH]c(-c3ccccn3)nc2c1)c1c([O-])cccc1F ZINC000436970679 1021425669 /nfs/dbraw/zinc/42/56/69/1021425669.db2.gz FSJSVOGYTQPTQP-UHFFFAOYSA-N -1 0 348.337 3.722 20 0 EHADRM Cc1c(NC(=O)c2cc(F)c([O-])c(Cl)c2)cnn1CC(C)C ZINC000436976528 1021431885 /nfs/dbraw/zinc/43/18/85/1021431885.db2.gz BYJIMURZKVKRSO-UHFFFAOYSA-N -1 0 325.771 3.598 20 0 EHADRM O=C(NCC1(c2ccncc2)CCCC1)c1cc(F)c([O-])c(Cl)c1 ZINC000436981833 1021436959 /nfs/dbraw/zinc/43/69/59/1021436959.db2.gz RFORNEWRVPQBCB-UHFFFAOYSA-N -1 0 348.805 3.822 20 0 EHADRM Cc1ccc([C@@H]2CCN(C(=O)c3cc(F)c([O-])c(F)c3)C2)c(C)c1 ZINC000436998298 1021452518 /nfs/dbraw/zinc/45/25/18/1021452518.db2.gz ITPXEJDXDLLCSA-CYBMUJFWSA-N -1 0 331.362 3.917 20 0 EHADRM COCCCC[C@@H](NC(=O)c1cc(F)c([O-])c(F)c1)c1ccccc1 ZINC000436997711 1021454900 /nfs/dbraw/zinc/45/49/00/1021454900.db2.gz HKKORMGUMGLPML-QGZVFWFLSA-N -1 0 349.377 3.958 20 0 EHADRM COc1cc(Nc2ccc(C(=O)[O-])cc2C)ncc1C(F)(F)F ZINC001211621041 1032980693 /nfs/dbraw/zinc/98/06/93/1032980693.db2.gz SUGJNEFGTAPYFO-UHFFFAOYSA-N -1 0 326.274 3.859 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000436985375 1021455972 /nfs/dbraw/zinc/45/59/72/1021455972.db2.gz OPQNJTGFURCLQE-NSHDSACASA-N -1 0 337.753 3.954 20 0 EHADRM Cc1cc(C(=O)N[C@H](CC(=O)[O-])C2CCCCC2)c(C)n1C(C)C ZINC000345999801 1021492325 /nfs/dbraw/zinc/49/23/25/1021492325.db2.gz OBBKOSCSIGDUKA-QGZVFWFLSA-N -1 0 334.460 3.839 20 0 EHADRM CSc1ccc(CCCC(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])cc1 ZINC000518775831 1021533415 /nfs/dbraw/zinc/53/34/15/1021533415.db2.gz XBCBNZFHHLNTDY-VQIMIIECSA-N -1 0 349.496 3.881 20 0 EHADRM O=S(=O)([N-]c1cnn(-c2ccccc2)c1)c1cccc2ccccc21 ZINC000439572812 1021564846 /nfs/dbraw/zinc/56/48/46/1021564846.db2.gz QSFMQVQBJRQDQF-UHFFFAOYSA-N -1 0 349.415 3.826 20 0 EHADRM CC[C@H](C(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000048617809 1021588894 /nfs/dbraw/zinc/58/88/94/1021588894.db2.gz OGAZLBNUBBSROM-ZDUSSCGKSA-N -1 0 339.363 3.804 20 0 EHADRM CN(C(=O)Nc1cc(F)cc(Cl)c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000516617595 1021599213 /nfs/dbraw/zinc/59/92/13/1021599213.db2.gz PPBZITVDPJEQOQ-CQSZACIVSA-N -1 0 336.750 3.769 20 0 EHADRM CCCCCc1nnc([N-]S(=O)(=O)c2cccc(CC)c2)s1 ZINC000437174218 1021612941 /nfs/dbraw/zinc/61/29/41/1021612941.db2.gz AUNDYNHFAOBKBF-UHFFFAOYSA-N -1 0 339.486 3.634 20 0 EHADRM CCc1ccc(NC(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])cc1F ZINC000519741606 1021652945 /nfs/dbraw/zinc/65/29/45/1021652945.db2.gz IEFRUEQJOCKEBN-QGZVFWFLSA-N -1 0 342.370 3.604 20 0 EHADRM CC(C)[C@@H]1N(C(=O)N=c2[n-]nc(-c3ccccc3)s2)CC12CCC2 ZINC000516700420 1021667386 /nfs/dbraw/zinc/66/73/86/1021667386.db2.gz CWFFMTZBWCCITN-AWEZNQCLSA-N -1 0 342.468 3.669 20 0 EHADRM O=S(=O)([N-]c1ccnn1-c1ccccc1)c1ccc2ccccc2c1 ZINC000437332360 1021741671 /nfs/dbraw/zinc/74/16/71/1021741671.db2.gz MEVDFXOGCGKNGJ-UHFFFAOYSA-N -1 0 349.415 3.826 20 0 EHADRM C=C(C)COc1cccc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000066965651 1021774959 /nfs/dbraw/zinc/77/49/59/1021774959.db2.gz ORDUDMJOIGERJG-SFHVURJKSA-N -1 0 339.391 3.839 20 0 EHADRM CC(C)CCOc1cccc([N-]S(=O)(=O)c2ccsc2)c1 ZINC000506709064 1021797918 /nfs/dbraw/zinc/79/79/18/1021797918.db2.gz WMYZURQFWMJOIO-UHFFFAOYSA-N -1 0 325.455 3.974 20 0 EHADRM CC(C)c1ccc(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)s1 ZINC000439916258 1021823022 /nfs/dbraw/zinc/82/30/22/1021823022.db2.gz ZIDHGDXDRBKZSM-AWEZNQCLSA-N -1 0 329.421 3.696 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000581834392 1021852118 /nfs/dbraw/zinc/85/21/18/1021852118.db2.gz NAKZBYNZLLUKMR-TZMCWYRMSA-N -1 0 325.330 3.672 20 0 EHADRM CCC[C@@]1(C)CCCN(C(=O)c2cnc3nc(C)ccc3c2O)C1 ZINC000440924605 1021872112 /nfs/dbraw/zinc/87/21/12/1021872112.db2.gz OHBXIJIELIMGPF-IBGZPJMESA-N -1 0 327.428 3.686 20 0 EHADRM CCc1ccc(-c2nc(CN(CC(=O)[O-])C3CCC3)cs2)cc1 ZINC000516938306 1021874788 /nfs/dbraw/zinc/87/47/88/1021874788.db2.gz VBKFIUIDYDNLFP-UHFFFAOYSA-N -1 0 330.453 3.812 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)s1 ZINC000437552429 1021936441 /nfs/dbraw/zinc/93/64/41/1021936441.db2.gz AVHKUEQMDGBTFW-DZGCQCFKSA-N -1 0 344.484 3.570 20 0 EHADRM C[C@H](NC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)c1cccc2ccccc21 ZINC000517028302 1021957412 /nfs/dbraw/zinc/95/74/12/1021957412.db2.gz AKEJEEALYHPDID-SUNYJGFJSA-N -1 0 340.423 3.653 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N(C)[C@@H](C)CCSCC)s1 ZINC000437595815 1021968663 /nfs/dbraw/zinc/96/86/63/1021968663.db2.gz SYZLPWWNNIINRT-LBPRGKRZSA-N -1 0 344.550 3.688 20 0 EHADRM CCc1n[n-]c(=NC(=O)N(C)[C@H]2CCC[C@H]2c2ccc(C)cc2)s1 ZINC000437593036 1021983898 /nfs/dbraw/zinc/98/38/98/1021983898.db2.gz SWYALFDPDXXOOI-GJZGRUSLSA-N -1 0 344.484 3.631 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1ccc2oc(C)nc2c1 ZINC000188295709 1021994224 /nfs/dbraw/zinc/99/42/24/1021994224.db2.gz OUKDNIWYUXVGDS-UHFFFAOYSA-N -1 0 334.422 3.659 20 0 EHADRM CCSCC[C@@H](C)N(C)C(=O)N=c1[n-]nc(C(CC)CC)s1 ZINC000437643828 1022014824 /nfs/dbraw/zinc/01/48/24/1022014824.db2.gz TZZIAXKQEMZOFB-LLVKDONJSA-N -1 0 344.550 3.859 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N[C@@H]2CCC[C@H]2C)s1)c1ccccc1 ZINC000519340821 1022019812 /nfs/dbraw/zinc/01/98/12/1022019812.db2.gz IZLZSLNYVPYWIO-BPLDGKMQSA-N -1 0 344.484 3.812 20 0 EHADRM CC(C)Oc1ccc(CN=c2[n-]c(-c3cccc(Cl)c3)no2)cn1 ZINC000519356493 1022030624 /nfs/dbraw/zinc/03/06/24/1022030624.db2.gz KLBANAFWORZUOK-UHFFFAOYSA-N -1 0 344.802 3.606 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)N[C@@H](c2ccccc2)C2CCC2)s1 ZINC000517115459 1022042087 /nfs/dbraw/zinc/04/20/87/1022042087.db2.gz QBQYIFKXIGRNQH-AWEZNQCLSA-N -1 0 344.484 3.920 20 0 EHADRM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccco2)c(C(F)(F)F)c1 ZINC000437682984 1022051890 /nfs/dbraw/zinc/05/18/90/1022051890.db2.gz PHBSODBYCMRUNY-UHFFFAOYSA-N -1 0 349.330 3.886 20 0 EHADRM CCCc1ccc(NC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1 ZINC000326365649 1022093624 /nfs/dbraw/zinc/09/36/24/1022093624.db2.gz DLSIXQMQPKVIEW-GOSISDBHSA-N -1 0 338.407 3.683 20 0 EHADRM CN(Cc1cc(Cl)cn1C)C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000517173312 1022093482 /nfs/dbraw/zinc/09/34/82/1022093482.db2.gz WQXSYVHGJQXMML-UHFFFAOYSA-N -1 0 346.736 3.675 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(c2nccc3c(Br)cccc32)C1 ZINC000399061772 1022119600 /nfs/dbraw/zinc/11/96/00/1022119600.db2.gz JEYLRFKSQPFGFF-WDEREUQCSA-N -1 0 349.228 3.544 20 0 EHADRM CCc1nc(CNCc2ccc(-c3ccccc3)o2)ccc1C(=O)[O-] ZINC000426651326 1022148570 /nfs/dbraw/zinc/14/85/70/1022148570.db2.gz LLGPGWQFLQPWPD-UHFFFAOYSA-N -1 0 336.391 3.892 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N2CCCC[C@@H]2Cc2ccccc2)CC1 ZINC000520412280 1022214767 /nfs/dbraw/zinc/21/47/67/1022214767.db2.gz RPUBBQGSNVGMHW-CTWPCTMYSA-N -1 0 343.467 3.891 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000187840842 1022254913 /nfs/dbraw/zinc/25/49/13/1022254913.db2.gz DCQDSVVAVDOKRA-DZGCQCFKSA-N -1 0 333.403 3.675 20 0 EHADRM CC[C@H](Cc1ccccc1)N(C)C(=O)N=c1[n-]nc(C(C)(C)C)s1 ZINC000437907650 1022259751 /nfs/dbraw/zinc/25/97/51/1022259751.db2.gz UOMRTOKWLWAANJ-CQSZACIVSA-N -1 0 346.500 3.743 20 0 EHADRM C[C@H](c1ccccc1)[C@H](C)NC(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000473628300 1022280111 /nfs/dbraw/zinc/28/01/11/1022280111.db2.gz JGUDEEZWLVGWLL-RYUDHWBXSA-N -1 0 342.424 3.534 20 0 EHADRM FC(F)(F)[C@H](C[C@H]1CCCO1)[N-]c1nnc(Cc2ccccc2)o1 ZINC000894435391 1022281722 /nfs/dbraw/zinc/28/17/22/1022281722.db2.gz OGMMPWYANUOUEI-OLZOCXBDSA-N -1 0 341.333 3.572 20 0 EHADRM Cc1cc(S(=O)(=O)N[C@@H]2CCCC(F)(F)C2)sc1Cl ZINC000473951105 1022379916 /nfs/dbraw/zinc/37/99/16/1022379916.db2.gz QZOJFRWYUZNMPI-MRVPVSSYSA-N -1 0 329.821 3.566 20 0 EHADRM CCCOc1ccc(NC(=O)N[C@H](CC2CC2)C(=O)[O-])cc1Cl ZINC000581922145 1022399933 /nfs/dbraw/zinc/39/99/33/1022399933.db2.gz NBOIYEYQWYMCCT-CYBMUJFWSA-N -1 0 340.807 3.504 20 0 EHADRM COc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)ccc1C ZINC000345979323 1022454605 /nfs/dbraw/zinc/45/46/05/1022454605.db2.gz ZKQGOGXOYKAXGG-OAHLLOKOSA-N -1 0 347.798 3.603 20 0 EHADRM CCCN(C(=O)c1s[n-]c(=O)c1Cl)[C@H]1C[C@@H](OCC)C1(C)C ZINC000328748424 1022480713 /nfs/dbraw/zinc/48/07/13/1022480713.db2.gz BHGYSNWHTJDVIN-VHSXEESVSA-N -1 0 346.880 3.558 20 0 EHADRM COc1ccc(-c2n[n-]c(=NCc3ccc(Cl)cc3F)o2)cc1 ZINC000438249316 1022503118 /nfs/dbraw/zinc/50/31/18/1022503118.db2.gz CJTUIXREPWBWRZ-UHFFFAOYSA-N -1 0 333.750 3.572 20 0 EHADRM O=C([O-])C1CCC(CC(=O)Nc2cccc(OC(F)F)c2)CC1 ZINC000581946048 1022508112 /nfs/dbraw/zinc/50/81/12/1022508112.db2.gz XGNQTXQEFXVFKD-UHFFFAOYSA-N -1 0 327.327 3.508 20 0 EHADRM Cc1csc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)n1 ZINC000506850836 1022549878 /nfs/dbraw/zinc/54/98/78/1022549878.db2.gz ITEZDWZJDOUDGT-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM CC1=C[C@@H](C)CN(C(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000438333622 1022555924 /nfs/dbraw/zinc/55/59/24/1022555924.db2.gz VGYXUVWISIKNAP-MRVPVSSYSA-N -1 0 344.636 3.846 20 0 EHADRM O=C(NCCc1csc2ccccc12)c1s[n-]c(=O)c1Cl ZINC000550139012 1022572557 /nfs/dbraw/zinc/57/25/57/1022572557.db2.gz NZVOMDOGNNRHQV-UHFFFAOYSA-N -1 0 338.841 3.689 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-] ZINC000391726919 1022582172 /nfs/dbraw/zinc/58/21/72/1022582172.db2.gz KCXNGTHUONIHLW-OCCSQVGLSA-N -1 0 333.359 3.644 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])[C@H](C)[C@@H](C)O1 ZINC000438392789 1022632851 /nfs/dbraw/zinc/63/28/51/1022632851.db2.gz FCYSJVKQNPWEHD-IJLUTSLNSA-N -1 0 333.815 3.837 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])[C@@H](C)[C@H](C)O1 ZINC000438392794 1022632870 /nfs/dbraw/zinc/63/28/70/1022632870.db2.gz FCYSJVKQNPWEHD-WOPDTQHZSA-N -1 0 333.815 3.837 20 0 EHADRM Cc1cccnc1NC(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000303953613 1022656843 /nfs/dbraw/zinc/65/68/43/1022656843.db2.gz WLGKYTZTPMKJIZ-UHFFFAOYSA-N -1 0 336.395 3.657 20 0 EHADRM CN(CC(C)(C)C)C(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000330818552 1022682555 /nfs/dbraw/zinc/68/25/55/1022682555.db2.gz CPHXYRPKJTZGPK-UHFFFAOYSA-N -1 0 338.864 3.790 20 0 EHADRM C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)N=c2nc(-c3ccccc3)[n-]s2)C1 ZINC000473767647 1022695652 /nfs/dbraw/zinc/69/56/52/1022695652.db2.gz UKQCYSYFLWDLJZ-JHJVBQTASA-N -1 0 330.457 3.525 20 0 EHADRM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)N=c2nc(-c3ccccc3)[n-]s2)C1 ZINC000473767645 1022696472 /nfs/dbraw/zinc/69/64/72/1022696472.db2.gz UKQCYSYFLWDLJZ-FRRDWIJNSA-N -1 0 330.457 3.525 20 0 EHADRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1C ZINC000331118692 1022749513 /nfs/dbraw/zinc/74/95/13/1022749513.db2.gz WQOAAVIUHBAPFR-AWEZNQCLSA-N -1 0 335.473 3.889 20 0 EHADRM CCc1nc(C)c([N-]S(=O)(=O)c2cc(C)ccc2Cl)s1 ZINC000331134015 1022753063 /nfs/dbraw/zinc/75/30/63/1022753063.db2.gz UHHRQJLQCUJFCX-UHFFFAOYSA-N -1 0 330.862 3.777 20 0 EHADRM CCCc1nc(=NC(=O)N2C[C@@H](C)CC[C@@H]2c2ccccc2)s[n-]1 ZINC000518011970 1022929102 /nfs/dbraw/zinc/92/91/02/1022929102.db2.gz UAPPIXCQOCERJQ-DZGCQCFKSA-N -1 0 344.484 3.918 20 0 EHADRM CSCc1cc(C(=O)N=c2nc(C(C)(C)C)[n-]s2)ccc1F ZINC000471889374 1022966378 /nfs/dbraw/zinc/96/63/78/1022966378.db2.gz UMCDKLCWPGSTFA-UHFFFAOYSA-N -1 0 339.461 3.512 20 0 EHADRM O=C([O-])[C@@H](NCc1ccc(Cl)c(F)c1)c1c(F)cccc1F ZINC000426727663 1023014809 /nfs/dbraw/zinc/01/48/09/1023014809.db2.gz PLDJRTPZXAYPHO-AWEZNQCLSA-N -1 0 329.705 3.673 20 0 EHADRM CC(C)C[C@H]1CCCN(C(=O)N=c2[n-]nc(-c3ccco3)s2)C1 ZINC000469511449 1023015472 /nfs/dbraw/zinc/01/54/72/1023015472.db2.gz BJINYFFKHISRRO-GFCCVEGCSA-N -1 0 334.445 3.510 20 0 EHADRM CO[C@@H](C)c1nc(=Nc2cccc(Oc3ccccn3)c2)s[n-]1 ZINC000509549634 1023028152 /nfs/dbraw/zinc/02/81/52/1023028152.db2.gz REIMJCKBQCSWCF-NSHDSACASA-N -1 0 328.397 3.598 20 0 EHADRM COc1ccccc1[C@@H](NCc1ccc(-c2ccccc2)o1)C(=O)[O-] ZINC000426771810 1023034237 /nfs/dbraw/zinc/03/42/37/1023034237.db2.gz AXICUIUUSMOCIB-LJQANCHMSA-N -1 0 337.375 3.871 20 0 EHADRM CCc1ccc([C@H](NCc2nc3c(s2)C[C@H](C)CC3)C(=O)[O-])cc1 ZINC000426812826 1023060934 /nfs/dbraw/zinc/06/09/34/1023060934.db2.gz SEEGPQHUKUJAFF-XIKOKIGWSA-N -1 0 344.480 3.746 20 0 EHADRM C[C@@H]1CCC[C@@H](NC(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)C1 ZINC000574376340 1033103093 /nfs/dbraw/zinc/10/30/93/1033103093.db2.gz JJMSFUIDILVNHZ-IUODEOHRSA-N -1 0 338.835 3.515 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N=c1nc(Cc2ccccc2)[n-]s1 ZINC000510735880 1023083882 /nfs/dbraw/zinc/08/38/82/1023083882.db2.gz NHKDRIHFXHAEGE-UHFFFAOYSA-N -1 0 341.436 3.828 20 0 EHADRM CCC[C@@H](N=c1nc([C@@H](C)OC)[n-]s1)c1ccc(F)cc1F ZINC000509582738 1023088468 /nfs/dbraw/zinc/08/84/68/1023088468.db2.gz IJSXPZATKMIIQC-NOZJJQNGSA-N -1 0 327.400 3.899 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CCc2ccsc2C1 ZINC000518214218 1023135618 /nfs/dbraw/zinc/13/56/18/1023135618.db2.gz POEYVKWBUJGBJV-UHFFFAOYSA-N -1 0 327.327 3.671 20 0 EHADRM O=C([O-])c1cc(/C=C/C2=Cc3cc(Cl)cc(Cl)c3OC2)ncn1 ZINC000536389021 1023193951 /nfs/dbraw/zinc/19/39/51/1023193951.db2.gz MLLPDQXPUPJPGN-OWOJBTEDSA-N -1 0 349.173 3.971 20 0 EHADRM CCCCCC[C@](C)(NC(=O)C1C[C@H]2CC[C@@H](C1)S2)C(=O)[O-] ZINC000909432319 1023194400 /nfs/dbraw/zinc/19/44/00/1023194400.db2.gz UUHLTGBJRZKUKJ-PLTIAYLTSA-N -1 0 327.490 3.591 20 0 EHADRM Cc1cn2cc([N-]S(=O)(=O)c3ccc(C(C)(C)C)s3)ccc2n1 ZINC000439008848 1023204109 /nfs/dbraw/zinc/20/41/09/1023204109.db2.gz KIABELRXEUOEBE-UHFFFAOYSA-N -1 0 349.481 3.803 20 0 EHADRM COc1ccc(NC(=O)c2cc(F)c(F)c([O-])c2F)c2ncccc12 ZINC000548440507 1023204669 /nfs/dbraw/zinc/20/46/69/1023204669.db2.gz DIPMYCVGJRCZKY-UHFFFAOYSA-N -1 0 348.280 3.619 20 0 EHADRM O=C(N=c1cc(-c2ccccc2)[nH][nH]1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000439023173 1023212771 /nfs/dbraw/zinc/21/27/71/1023212771.db2.gz UTFJDPPFMDENCT-ZIAGYGMSSA-N -1 0 339.345 3.519 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)[C@@H]1CCOC2(CCCC2)C1)C(=O)[O-] ZINC000909433325 1023216233 /nfs/dbraw/zinc/21/62/33/1023216233.db2.gz YAVIMYFENUUCQZ-CRAIPNDOSA-N -1 0 339.476 3.656 20 0 EHADRM C[C@H]1CCn2ncc(C(=O)Nc3cc(Cl)c([O-])c(Cl)c3)c2C1 ZINC000519601110 1023250869 /nfs/dbraw/zinc/25/08/69/1023250869.db2.gz HFDFUEVPYZTKAL-QMMMGPOBSA-N -1 0 340.210 3.730 20 0 EHADRM C[C@@H](c1ccc(Br)cc1)S(=O)(=O)c1ccc(O)cc1 ZINC000427164577 1023252870 /nfs/dbraw/zinc/25/28/70/1023252870.db2.gz XCTIWNSKOVRQAM-JTQLQIEISA-N -1 0 341.226 3.690 20 0 EHADRM CCC(CC)C(=O)[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000048564049 1023253234 /nfs/dbraw/zinc/25/32/34/1023253234.db2.gz HMVSPZCYNSKZFT-UHFFFAOYSA-N -1 0 348.808 3.638 20 0 EHADRM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000518380255 1023267732 /nfs/dbraw/zinc/26/77/32/1023267732.db2.gz XHPAJBVXQGRXDE-HESLUPGFSA-N -1 0 347.430 3.941 20 0 EHADRM COCc1n[n-]c(=N[C@H](c2ccc(C(F)(F)F)cc2)C(C)C)s1 ZINC000439107757 1023271642 /nfs/dbraw/zinc/27/16/42/1023271642.db2.gz KYAUSBKSWNWPRB-ZDUSSCGKSA-N -1 0 345.390 3.934 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC(C(C)C)CC2)n1 ZINC000439109382 1023271862 /nfs/dbraw/zinc/27/18/62/1023271862.db2.gz OYBGSZQMUSIMSU-UHFFFAOYSA-N -1 0 341.455 3.649 20 0 EHADRM Cc1n[n-]c(=N[C@H](c2ccccc2)c2ccc(Br)cc2)o1 ZINC000341760020 1023277056 /nfs/dbraw/zinc/27/70/56/1023277056.db2.gz XNQCGBNTTQPHDY-OAHLLOKOSA-N -1 0 344.212 3.764 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2CC[C@H](CC(C)C)C2)n1 ZINC000439101824 1023279376 /nfs/dbraw/zinc/27/93/76/1023279376.db2.gz PDAXHSAQZAAVDH-OAHLLOKOSA-N -1 0 341.455 3.649 20 0 EHADRM O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1c[nH]c2cccc(F)c21 ZINC000471928614 1023295301 /nfs/dbraw/zinc/29/53/01/1023295301.db2.gz RTFLOLJGOWTUBB-UHFFFAOYSA-N -1 0 342.754 3.900 20 0 EHADRM COc1cccc(-c2nc(=NC(=O)c3ccccc3Cl)s[n-]2)c1 ZINC000476322308 1033121517 /nfs/dbraw/zinc/12/15/17/1033121517.db2.gz JJXAKSLBHBJBQR-UHFFFAOYSA-N -1 0 345.811 3.541 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)cc1 ZINC000471960089 1023439877 /nfs/dbraw/zinc/43/98/77/1023439877.db2.gz CUXILMRSRCUGKG-UHFFFAOYSA-N -1 0 347.820 3.707 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2cccc3c(OC)ccnc23)c1 ZINC000535765911 1023617675 /nfs/dbraw/zinc/61/76/75/1023617675.db2.gz MGYFNPKMOCPZAQ-UHFFFAOYSA-N -1 0 342.420 3.607 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)n1 ZINC000535769411 1023620967 /nfs/dbraw/zinc/62/09/67/1023620967.db2.gz LVYNMNHVHNRVAP-UHFFFAOYSA-N -1 0 340.470 3.522 20 0 EHADRM O=C(C[C@@H]1CCC2(CCC2)CO1)Nc1cc(Cl)c([O-])cc1F ZINC000897757268 1033150323 /nfs/dbraw/zinc/15/03/23/1033150323.db2.gz BMVADOZFVDCYAP-JTQLQIEISA-N -1 0 327.783 3.863 20 0 EHADRM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000238063148 1033159962 /nfs/dbraw/zinc/15/99/62/1033159962.db2.gz DUIXTTNPDKOLFU-OLZOCXBDSA-N -1 0 328.368 3.535 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC001211623057 1033161730 /nfs/dbraw/zinc/16/17/30/1033161730.db2.gz WARQLMWWBKEITK-UHFFFAOYSA-N -1 0 346.814 3.927 20 0 EHADRM O=C([O-])/C=C\c1cnc(/C=C\c2cncc(Br)c2)s1 ZINC000588476316 1023787586 /nfs/dbraw/zinc/78/75/86/1023787586.db2.gz JXASZXCCHDLTRO-CCAGOZQPSA-N -1 0 337.198 3.569 20 0 EHADRM Cn1ccc2c1cccc2[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000535890832 1023951555 /nfs/dbraw/zinc/95/15/55/1023951555.db2.gz FUGXCKLNAJHQLI-UHFFFAOYSA-N -1 0 338.791 3.772 20 0 EHADRM COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc3ccsc32)c1 ZINC000443462331 1023962345 /nfs/dbraw/zinc/96/23/45/1023962345.db2.gz QWYKSJVLUBJOHW-UHFFFAOYSA-N -1 0 349.433 3.719 20 0 EHADRM CC(C)CCn1nccc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000520498030 1023971134 /nfs/dbraw/zinc/97/11/34/1023971134.db2.gz AIYRELWFZAXLTL-UHFFFAOYSA-N -1 0 345.827 3.523 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)Cc2ccc(SC3CC3)cc2)CC1 ZINC000909439210 1024042498 /nfs/dbraw/zinc/04/24/98/1024042498.db2.gz KZYQOMLWYBXSKE-UHFFFAOYSA-N -1 0 347.480 3.587 20 0 EHADRM Cc1ccccc1[C@@H]1CCCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000262186363 1024047539 /nfs/dbraw/zinc/04/75/39/1024047539.db2.gz MWSCMBLKXVAZJR-IBGZPJMESA-N -1 0 337.419 3.990 20 0 EHADRM Cc1ccc(SC2CCCC2)c(C(=O)NC[C@H](C)CC(=O)[O-])c1 ZINC000191225408 1024047900 /nfs/dbraw/zinc/04/79/00/1024047900.db2.gz IFXMFVISNAIQJK-CYBMUJFWSA-N -1 0 335.469 3.870 20 0 EHADRM Cc1cnc(CN[C@@]2(C(=O)[O-])C[C@@H](C(C)C)c3ccccc32)s1 ZINC000417561670 1024051678 /nfs/dbraw/zinc/05/16/78/1024051678.db2.gz BEEACWJKBMMUIH-KSSFIOAISA-N -1 0 330.453 3.665 20 0 EHADRM CC(C)c1ccc(CCC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000236635657 1024053076 /nfs/dbraw/zinc/05/30/76/1024053076.db2.gz YMTXXEUZZYPJRM-SFHVURJKSA-N -1 0 331.456 3.989 20 0 EHADRM Cc1cccc([C@H](NCc2cnc([C@H]3CCCO3)s2)C(=O)[O-])c1C ZINC000417565086 1024068269 /nfs/dbraw/zinc/06/82/69/1024068269.db2.gz PESGZDHXEFFLKY-CVEARBPZSA-N -1 0 346.452 3.527 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(-c2ccccc2OC[C@H]2CCOC2)cc1 ZINC000657204075 1024081620 /nfs/dbraw/zinc/08/16/20/1024081620.db2.gz KAMGITLYWYIFLP-GJZGRUSLSA-N -1 0 326.392 3.957 20 0 EHADRM O=C([N-]OCc1ccccn1)C1(Sc2ccccc2)CCCC1 ZINC000909538886 1024086160 /nfs/dbraw/zinc/08/61/60/1024086160.db2.gz UUOFSNNZTUEMMK-UHFFFAOYSA-N -1 0 328.437 3.735 20 0 EHADRM Cc1ccccc1-c1ccc(S(=O)(=O)C2(C(=O)[O-])CCCC2)cc1 ZINC000657205122 1024086337 /nfs/dbraw/zinc/08/63/37/1024086337.db2.gz ZTQSKQFSCOSGSO-UHFFFAOYSA-N -1 0 344.432 3.833 20 0 EHADRM CC(C)(Oc1ccc(-c2ccc(O[C@@H]3CCOC3)cc2)cc1)C(=O)[O-] ZINC000657204381 1024104201 /nfs/dbraw/zinc/10/42/01/1024104201.db2.gz HXDBDOUQRBAKEC-GOSISDBHSA-N -1 0 342.391 3.763 20 0 EHADRM COc1cccc2cc(-c3cncc([C@@H]4OCC[C@H]4C(=O)[O-])c3)oc21 ZINC000657206651 1024128925 /nfs/dbraw/zinc/12/89/25/1024128925.db2.gz NVFPIULSXJPYOF-PBHICJAKSA-N -1 0 339.347 3.666 20 0 EHADRM O=C([O-])C1(c2cc(F)cc(-c3cccc4c3OCCCO4)c2)CC1 ZINC000657208028 1024130493 /nfs/dbraw/zinc/13/04/93/1024130493.db2.gz XCBDTTUYNFBWMS-UHFFFAOYSA-N -1 0 328.339 3.770 20 0 EHADRM O=C([O-])C1(c2cccc(-c3ccc(C(F)(F)F)cc3CO)c2)CC1 ZINC000657208030 1024130902 /nfs/dbraw/zinc/13/09/02/1024130902.db2.gz XGMLGIASGVIJET-UHFFFAOYSA-N -1 0 336.309 3.981 20 0 EHADRM COc1ccc(CO)c(-c2ccc(CC[C@H](C)CC(=O)[O-])cc2)c1 ZINC000657208217 1024132673 /nfs/dbraw/zinc/13/26/73/1024132673.db2.gz XQUYXSSFUZSLBU-AWEZNQCLSA-N -1 0 328.408 3.898 20 0 EHADRM C[C@@H]1CCc2c(C(=O)N3[C@H](C(=O)[O-])C[C@H]4CCCC[C@@H]43)csc2C1 ZINC000324099027 1024199897 /nfs/dbraw/zinc/19/98/97/1024199897.db2.gz LAKAOKUEWANLQW-MPTQWLOMSA-N -1 0 347.480 3.731 20 0 EHADRM CCOCc1cccc([N-]S(=O)(=O)c2c(C)cc(C)cc2OC)c1 ZINC000434627152 1024228060 /nfs/dbraw/zinc/22/80/60/1024228060.db2.gz LXNOJJAIEPICCF-UHFFFAOYSA-N -1 0 349.452 3.649 20 0 EHADRM O=C1CCCc2nc([N-]c3cnc(Br)s3)sc21 ZINC001216264531 1024258054 /nfs/dbraw/zinc/25/80/54/1024258054.db2.gz CRXGQXRSXZLKNL-UHFFFAOYSA-N -1 0 330.232 3.625 20 0 EHADRM CC[C@H]1CCC[C@H]1CNS(=O)(=O)c1cc2cc(F)ccc2o1 ZINC001211889361 1024310694 /nfs/dbraw/zinc/31/06/94/1024310694.db2.gz BDZUTDPOKPDDDK-RYUDHWBXSA-N -1 0 325.405 3.677 20 0 EHADRM O=C(N=c1cccn[n-]1)[C@@H](Sc1ccccc1F)c1ccccc1 ZINC000346042158 1024321593 /nfs/dbraw/zinc/32/15/93/1024321593.db2.gz AEOFWUQVHJSIBR-KRWDZBQOSA-N -1 0 339.395 3.510 20 0 EHADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000029046187 1024333801 /nfs/dbraw/zinc/33/38/01/1024333801.db2.gz YWXUFMXCSRWZEU-UHFFFAOYSA-N -1 0 335.425 3.531 20 0 EHADRM Cc1cc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)sc1-c1ccc(F)cc1 ZINC000194473210 1024416028 /nfs/dbraw/zinc/41/60/28/1024416028.db2.gz UTPAHIJJVYKNQW-GXTWGEPZSA-N -1 0 347.411 3.846 20 0 EHADRM CN(C(=O)c1cc(C(=O)[O-])co1)C1c2ccccc2-c2ccccc21 ZINC000191619597 1024466258 /nfs/dbraw/zinc/46/62/58/1024466258.db2.gz QZTGZHGAQNSYJS-UHFFFAOYSA-N -1 0 333.343 3.820 20 0 EHADRM O=C([O-])c1ccc([C@H](NC(=O)[C@H]2CCC[C@@H](F)C2)C(F)(F)F)cc1 ZINC000425251869 1024509155 /nfs/dbraw/zinc/50/91/55/1024509155.db2.gz HUMOMUMOOJUTFW-XQQFMLRXSA-N -1 0 347.308 3.633 20 0 EHADRM Cc1csc(-c2cccc(NC(=O)NCCCCCC(=O)[O-])c2)n1 ZINC000417755788 1024553031 /nfs/dbraw/zinc/55/30/31/1024553031.db2.gz LTJYSYVXWFRTEQ-UHFFFAOYSA-N -1 0 347.440 3.885 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)s1 ZINC000435077693 1024606167 /nfs/dbraw/zinc/60/61/67/1024606167.db2.gz DALKZLVTBRYVRD-ZFWWWQNUSA-N -1 0 344.484 3.568 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1Cl)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000514630763 1024608194 /nfs/dbraw/zinc/60/81/94/1024608194.db2.gz MWODUKLSHPSASK-UWVGGRQHSA-N -1 0 341.242 3.758 20 0 EHADRM CC(=O)c1c(C)cc(C)c(C[S@@](=O)[C@@H](CC(C)C)C(=O)[O-])c1C ZINC000514657240 1024640518 /nfs/dbraw/zinc/64/05/18/1024640518.db2.gz LUPOVBXJBRUBJH-QMHKHESXSA-N -1 0 338.469 3.562 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)CCc2ccccc2C(=O)[O-])c1 ZINC000262141163 1024653606 /nfs/dbraw/zinc/65/36/06/1024653606.db2.gz IQBNNMHOABVEPG-IBGZPJMESA-N -1 0 337.419 3.990 20 0 EHADRM Cc1cccc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1Cl ZINC000190851082 1024657709 /nfs/dbraw/zinc/65/77/09/1024657709.db2.gz ARWRPCNQFDUUAG-LRDDRELGSA-N -1 0 331.799 3.840 20 0 EHADRM CC(C)(CC(=O)N1CCc2ccc(C(=O)[O-])cc2C1)CC(F)(F)F ZINC000909453653 1024678646 /nfs/dbraw/zinc/67/86/46/1024678646.db2.gz HNPDXLJNHVIGQK-UHFFFAOYSA-N -1 0 343.345 3.638 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1ccc(COC2CCCC2)cc1)C(=O)[O-] ZINC000514723441 1024696214 /nfs/dbraw/zinc/69/62/14/1024696214.db2.gz OFNATWRWMMPPRU-GUYCJALGSA-N -1 0 348.443 3.767 20 0 EHADRM CC1(C)CCC(CC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)CC1 ZINC000427672335 1024718350 /nfs/dbraw/zinc/71/83/50/1024718350.db2.gz MBYSBKPLEUCFJW-ZWKOTPCHSA-N -1 0 343.467 3.920 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)CC2CCC(C(=O)[O-])CC2)c(C)c1 ZINC000563201677 1024769150 /nfs/dbraw/zinc/76/91/50/1024769150.db2.gz NDRCPOXCAGGXFA-KLAILNCOSA-N -1 0 331.456 3.632 20 0 EHADRM CN(Cc1ccc(Cl)c(F)c1)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000191647409 1024774723 /nfs/dbraw/zinc/77/47/23/1024774723.db2.gz FYFZIVCKZVGOOU-UHFFFAOYSA-N -1 0 349.789 3.769 20 0 EHADRM Cc1cc(NC(=O)CCCOc2ccc(F)cc2)cc(C(=O)[O-])c1C ZINC000327376964 1024788914 /nfs/dbraw/zinc/78/89/14/1024788914.db2.gz UFAANZAODFGNIM-UHFFFAOYSA-N -1 0 345.370 3.938 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2noc3ccc(Cl)cc32)c1 ZINC000427779711 1024790901 /nfs/dbraw/zinc/79/09/01/1024790901.db2.gz LYTIKBDUGZPGMM-UHFFFAOYSA-N -1 0 340.763 3.730 20 0 EHADRM C[C@@H](NC(=O)N1CCCCC[C@H]1C(=O)[O-])c1cc2ccccc2o1 ZINC000684713297 1024884282 /nfs/dbraw/zinc/88/42/82/1024884282.db2.gz FHMSNQSFNBRYLK-OCCSQVGLSA-N -1 0 330.384 3.533 20 0 EHADRM O=C(COc1ccc(F)cc1Cl)Nc1cc(F)cc(Cl)c1[O-] ZINC000474423711 1024935724 /nfs/dbraw/zinc/93/57/24/1024935724.db2.gz BEHRLBXNSGAJOU-UHFFFAOYSA-N -1 0 348.132 3.995 20 0 EHADRM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474427399 1024951233 /nfs/dbraw/zinc/95/12/33/1024951233.db2.gz AXTXIUCWUIGHKK-SSDOTTSWSA-N -1 0 345.704 3.869 20 0 EHADRM O=S(=O)([N-]c1ccsc1)c1c(Cl)cc(F)cc1Cl ZINC000435476695 1024958914 /nfs/dbraw/zinc/95/89/14/1024958914.db2.gz IKRFBYUTCJJSMK-UHFFFAOYSA-N -1 0 326.201 3.995 20 0 EHADRM C[C@H](c1ccccc1)[C@](C)(O)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474432837 1024960315 /nfs/dbraw/zinc/96/03/15/1024960315.db2.gz NUBKRGYMOITVPK-QGHHPUGFSA-N -1 0 337.778 3.678 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1cc(-c2ccccc2)[nH]n1 ZINC000474441824 1024975834 /nfs/dbraw/zinc/97/58/34/1024975834.db2.gz QWCVMCSTYHSNEL-UHFFFAOYSA-N -1 0 331.734 3.827 20 0 EHADRM COc1ccc(CCC(=O)Nc2cc(F)cc(Cl)c2[O-])cc1F ZINC000474445674 1024980718 /nfs/dbraw/zinc/98/07/18/1024980718.db2.gz MXBIPUKVKXFYNK-UHFFFAOYSA-N -1 0 341.741 3.904 20 0 EHADRM CC(C)Cc1nc(=N[C@H]2C[C@@H]2c2ccccc2OC(F)F)s[n-]1 ZINC000435573791 1025005242 /nfs/dbraw/zinc/00/52/42/1025005242.db2.gz KASUUTWQUQKJCP-NEPJUHHUSA-N -1 0 339.411 3.728 20 0 EHADRM COCCCOc1ccccc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000097151943 1025007601 /nfs/dbraw/zinc/00/76/01/1025007601.db2.gz OSJQWURKZTUVPM-UHFFFAOYSA-N -1 0 335.787 3.713 20 0 EHADRM Cc1ccc(S[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000013225077 1025078600 /nfs/dbraw/zinc/07/86/00/1025078600.db2.gz BCCFTMQGHVOGDP-PBHICJAKSA-N -1 0 343.448 3.808 20 0 EHADRM Cc1cc(=NC(=O)N2CCCC[C@@H]2c2ccc(Cl)cc2)[n-]nc1C ZINC000515209288 1025093747 /nfs/dbraw/zinc/09/37/47/1025093747.db2.gz TUZLZEVMXSFOTK-MRXNPFEDSA-N -1 0 344.846 3.928 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccccc1C(F)(F)F ZINC000435719138 1025103629 /nfs/dbraw/zinc/10/36/29/1025103629.db2.gz IXLQNSZMOVYEDJ-SRVKXCTJSA-N -1 0 343.345 3.774 20 0 EHADRM CSc1ccc(CCNC(=O)CC2(C(=O)[O-])CCCCCC2)cc1 ZINC000435722060 1025105146 /nfs/dbraw/zinc/10/51/46/1025105146.db2.gz HFLIJXAVAKVIPZ-UHFFFAOYSA-N -1 0 349.496 3.883 20 0 EHADRM CCCOCc1ccccc1CNC(=O)c1ccc([O-])c(Cl)c1 ZINC000054037937 1025111474 /nfs/dbraw/zinc/11/14/74/1025111474.db2.gz JWKQZEIYUKQDQU-UHFFFAOYSA-N -1 0 333.815 3.902 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2CCC[C@@H]2c2cc(C)ccc2C)s1 ZINC000474560772 1025150521 /nfs/dbraw/zinc/15/05/21/1025150521.db2.gz BXLXZLBLAXQJAL-OAHLLOKOSA-N -1 0 344.484 3.898 20 0 EHADRM Cc1cc(Nc2cc(Br)c3nccn3c2)cc(C(=O)[O-])c1 ZINC001211539141 1025167159 /nfs/dbraw/zinc/16/71/59/1025167159.db2.gz HZXKAJCPHMUGRW-UHFFFAOYSA-N -1 0 346.184 3.847 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccccc3)s2)cc1 ZINC000442112812 1025174129 /nfs/dbraw/zinc/17/41/29/1025174129.db2.gz QJKSYRJOEJRJFD-UHFFFAOYSA-N -1 0 345.449 3.568 20 0 EHADRM CO[C@@H](C)c1nc(=NC(=O)c2ccc(C3CCCCC3)cc2)s[n-]1 ZINC000511070727 1025215668 /nfs/dbraw/zinc/21/56/68/1025215668.db2.gz VWWOHQWDJSMBGS-LBPRGKRZSA-N -1 0 345.468 3.967 20 0 EHADRM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)CC1(C(=O)[O-])CCCCCC1 ZINC000237380696 1025226332 /nfs/dbraw/zinc/22/63/32/1025226332.db2.gz SFTNWWWBJIHKGL-KDOFPFPSSA-N -1 0 329.440 3.851 20 0 EHADRM O=C([O-])[C@H]1CCCCCN1C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000684748002 1025247268 /nfs/dbraw/zinc/24/72/68/1025247268.db2.gz FVHMYZLAJICQFT-CYBMUJFWSA-N -1 0 344.333 3.653 20 0 EHADRM Cc1cc(NC(=O)N2CCCCC[C@@H]2C(=O)[O-])ccc1OC(C)C ZINC000684748865 1025259927 /nfs/dbraw/zinc/25/99/27/1025259927.db2.gz RCWNWQQYNDFZLH-OAHLLOKOSA-N -1 0 334.416 3.643 20 0 EHADRM CC1(C)CN(C(=O)c2cc(F)c([O-])c(Cl)c2)CC2(CCCC2)O1 ZINC000192623164 1025277722 /nfs/dbraw/zinc/27/77/22/1025277722.db2.gz VZWSPRIGPBVNKV-UHFFFAOYSA-N -1 0 341.810 3.749 20 0 EHADRM O=S(=O)([N-]c1cccc(Cl)c1)c1cnc(-c2ccccc2)nc1 ZINC000436007329 1025301803 /nfs/dbraw/zinc/30/18/03/1025301803.db2.gz NFFCVFMYTVCQBR-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM CC(C)COc1cccc(NC(=O)N([C@H](C)C(=O)[O-])C2CCC2)c1 ZINC000515549794 1025342515 /nfs/dbraw/zinc/34/25/15/1025342515.db2.gz FRNYWTATVDFEPG-CYBMUJFWSA-N -1 0 334.416 3.581 20 0 EHADRM O=S(=O)([N-]c1ccccc1OC(F)F)[C@@H]1C[C@H]1c1ccccc1 ZINC000521405164 1025358936 /nfs/dbraw/zinc/35/89/36/1025358936.db2.gz ONDAYNOOGFNTNL-SWLSCSKDSA-N -1 0 339.363 3.586 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)cc1 ZINC000048582222 1025412907 /nfs/dbraw/zinc/41/29/07/1025412907.db2.gz DDUOBQSKGGUXQA-CABCVRRESA-N -1 0 337.441 3.579 20 0 EHADRM CCCCC1CCC(C(=O)N=c2nc([C@H](C)OC)[n-]s2)CC1 ZINC000511082346 1025414812 /nfs/dbraw/zinc/41/48/12/1025414812.db2.gz ZVKYEVRFOARTOV-HIFPTAJRSA-N -1 0 325.478 3.603 20 0 EHADRM CC1=C(Br)CN(C(=O)c2ccc([O-])c(Cl)c2)CC1 ZINC000281744657 1025423412 /nfs/dbraw/zinc/42/34/12/1025423412.db2.gz JNPIGQXNYOGYTP-UHFFFAOYSA-N -1 0 330.609 3.560 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cccn2)cc1 ZINC000515632092 1025425690 /nfs/dbraw/zinc/42/56/90/1025425690.db2.gz JGTPTLDZPBOONG-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM Cc1sc([C@@H]2CCCN2c2cc(C)nc(C(C)C)n2)nc1C(=O)[O-] ZINC000515654875 1025440040 /nfs/dbraw/zinc/44/00/40/1025440040.db2.gz BJPRTRYOZKTGQM-LBPRGKRZSA-N -1 0 346.456 3.713 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2-n2nccc2C)sc1C ZINC000342437455 1025468545 /nfs/dbraw/zinc/46/85/45/1025468545.db2.gz JGMROQOJTAJWEK-UHFFFAOYSA-N -1 0 347.465 3.660 20 0 EHADRM COc1c(C)ccc([N-]S(=O)(=O)c2cccc(Cl)c2F)c1C ZINC000515693462 1025478065 /nfs/dbraw/zinc/47/80/65/1025478065.db2.gz XFEABFNIDCYJPR-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2nc(C(C)C)cs2)c(Cl)c1 ZINC000515702457 1025489872 /nfs/dbraw/zinc/48/98/72/1025489872.db2.gz KVYTYFZEROJQPU-UHFFFAOYSA-N -1 0 346.861 3.729 20 0 EHADRM CCc1cc([N-]S(=O)(=O)c2cnccc2C(F)(F)F)ccc1C ZINC000442821346 1025499887 /nfs/dbraw/zinc/49/98/87/1025499887.db2.gz DFNYQDXKBNSRSY-UHFFFAOYSA-N -1 0 344.358 3.772 20 0 EHADRM CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccccc3F)cc2O1 ZINC000442839271 1025527041 /nfs/dbraw/zinc/52/70/41/1025527041.db2.gz VSDWNYSLMOGFLF-MRXNPFEDSA-N -1 0 337.372 3.524 20 0 EHADRM O=S(=O)([N-]c1ccc2ccoc2c1)c1ccc(F)c(F)c1F ZINC000442852022 1025547167 /nfs/dbraw/zinc/54/71/67/1025547167.db2.gz SCCPZBOPNRMAMM-UHFFFAOYSA-N -1 0 327.283 3.651 20 0 EHADRM C[C@H](NC(=O)NC[C@@H](C(=O)[O-])C1CCC1)c1cccc2ccccc21 ZINC000665300956 1025608652 /nfs/dbraw/zinc/60/86/52/1025608652.db2.gz LBXSFFUPGYLZPA-SCLBCKFNSA-N -1 0 340.423 3.701 20 0 EHADRM C[C@@H]1CCN(C(=O)N=c2[n-]nc(-c3ccsc3)s2)CC12CCC2 ZINC000329153376 1025629932 /nfs/dbraw/zinc/62/99/32/1025629932.db2.gz UETNPRHJNJLXHD-LLVKDONJSA-N -1 0 348.497 3.733 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)CCc2cc(Cl)cs2)c1 ZINC000262394042 1025654123 /nfs/dbraw/zinc/65/41/23/1025654123.db2.gz MPXDBJVRLDCZEK-UHFFFAOYSA-N -1 0 337.828 3.990 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000909559500 1025694428 /nfs/dbraw/zinc/69/44/28/1025694428.db2.gz IJFVTULITBZZCG-AWEZNQCLSA-N -1 0 327.380 3.533 20 0 EHADRM CCCC[C@H](NC(=O)c1cc(Cl)ccc1OCCC)C(=O)[O-] ZINC000347253404 1025732777 /nfs/dbraw/zinc/73/27/77/1025732777.db2.gz BFNDBTJMLCSPQC-ZDUSSCGKSA-N -1 0 327.808 3.502 20 0 EHADRM Cc1cc(NC(=O)N=c2nc(-c3ccccc3)[n-]s2)cc(C)c1O ZINC000443129974 1025742590 /nfs/dbraw/zinc/74/25/90/1025742590.db2.gz GQFKCMGZOAOHSM-UHFFFAOYSA-N -1 0 340.408 3.593 20 0 EHADRM Cc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])c(C)c1 ZINC000436476331 1025771653 /nfs/dbraw/zinc/77/16/53/1025771653.db2.gz DUGDMBDLIYVJSF-UHFFFAOYSA-N -1 0 345.342 3.829 20 0 EHADRM O=C(N[C@H](C1CCCCC1)C(F)(F)F)c1cc(F)c([O-])c(F)c1 ZINC000436521064 1025825790 /nfs/dbraw/zinc/82/57/90/1025825790.db2.gz BPHMPJIZOXHTAB-CYBMUJFWSA-N -1 0 337.288 3.911 20 0 EHADRM CCN(Cc1ccc(Cl)cc1)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000436533695 1025840774 /nfs/dbraw/zinc/84/07/74/1025840774.db2.gz VAALBMBGFOPXJZ-UHFFFAOYSA-N -1 0 325.742 3.986 20 0 EHADRM COC(=O)c1ccc(O)c(NC(=O)C2(c3cccc(Cl)c3)CC2)c1 ZINC000436518800 1025848784 /nfs/dbraw/zinc/84/87/84/1025848784.db2.gz LQAHTJNBIWMFAP-UHFFFAOYSA-N -1 0 345.782 3.503 20 0 EHADRM O=C(c1ccc(F)cc1[O-])N1CCC(Cc2cccc(F)c2)CC1 ZINC000436550677 1025854606 /nfs/dbraw/zinc/85/46/06/1025854606.db2.gz YIGRQKDAPMOKOK-UHFFFAOYSA-N -1 0 331.362 3.765 20 0 EHADRM O=C([O-])CC1CCN(C(=O)C2(c3ccc(F)cc3)CCCCC2)CC1 ZINC000262404873 1025861489 /nfs/dbraw/zinc/86/14/89/1025861489.db2.gz IARVFBVNGLXHDJ-UHFFFAOYSA-N -1 0 347.430 3.741 20 0 EHADRM C[C@H](CO)CCCNC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436537811 1025864645 /nfs/dbraw/zinc/86/46/45/1025864645.db2.gz FZTQXLDARNJDSY-ZDUSSCGKSA-N -1 0 347.842 3.851 20 0 EHADRM CCCN(CC(=O)OCC)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436542402 1025875543 /nfs/dbraw/zinc/87/55/43/1025875543.db2.gz BLJNSSSIMNDZKB-UHFFFAOYSA-N -1 0 349.814 3.614 20 0 EHADRM COCc1cccc2sc(NC(=O)c3ccc(F)cc3[O-])nc21 ZINC000436567965 1025895667 /nfs/dbraw/zinc/89/56/67/1025895667.db2.gz QGNSKJZPDXFHCN-UHFFFAOYSA-N -1 0 332.356 3.540 20 0 EHADRM CCn1cc(NC(=O)c2cc(Cl)c3ccccc3c2[O-])ccc1=O ZINC000436566278 1025896407 /nfs/dbraw/zinc/89/64/07/1025896407.db2.gz WZUDUNBGFLUBNB-UHFFFAOYSA-N -1 0 342.782 3.633 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)nnc1C ZINC000522900393 1025921573 /nfs/dbraw/zinc/92/15/73/1025921573.db2.gz XOHBJDDWHJSGNM-UHFFFAOYSA-N -1 0 339.420 3.561 20 0 EHADRM CCc1cccc2c1OCC[C@@H]2NC(=O)c1ccc([O-])c(Cl)c1 ZINC000436626347 1025954921 /nfs/dbraw/zinc/95/49/21/1025954921.db2.gz HIBOLOSLJPAGLU-HNNXBMFYSA-N -1 0 331.799 3.862 20 0 EHADRM O=C([O-])CCc1ccc(Nc2ncc(F)cc2Br)cc1 ZINC001213620947 1025963589 /nfs/dbraw/zinc/96/35/89/1025963589.db2.gz HGMJRCSDJMTNOJ-UHFFFAOYSA-N -1 0 339.164 3.744 20 0 EHADRM Cc1cc(Cl)c(C(=O)NCCc2cccc(C(=O)[O-])c2)cc1C ZINC000191175433 1025977879 /nfs/dbraw/zinc/97/78/79/1025977879.db2.gz FRDCJZHBPUCJGE-UHFFFAOYSA-N -1 0 331.799 3.628 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)OCc2ccccc2)c1 ZINC000436650739 1025978110 /nfs/dbraw/zinc/97/81/10/1025978110.db2.gz BNSVPXYZSSNFSM-CYBMUJFWSA-N -1 0 327.380 3.529 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cccc([C@@H]3CCOC3)c2)c1 ZINC000436651748 1025978450 /nfs/dbraw/zinc/97/84/50/1025978450.db2.gz HPPVEFMIVMCIEE-MRXNPFEDSA-N -1 0 339.391 3.741 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)Cc2ccc(O)cc2Cl)c1 ZINC000436652491 1025981434 /nfs/dbraw/zinc/98/14/34/1025981434.db2.gz NUZCOBCFSSFFOF-UHFFFAOYSA-N -1 0 333.771 3.525 20 0 EHADRM Cc1cc(O)c(C(C)C)cc1C(=O)N=c1ncn(C2CCCCC2)[n-]1 ZINC000436647084 1025996543 /nfs/dbraw/zinc/99/65/43/1025996543.db2.gz PPPSZJWIEXAFLN-UHFFFAOYSA-N -1 0 342.443 3.595 20 0 EHADRM Cc1cc(F)ccc1[N-]S(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000443402451 1025998379 /nfs/dbraw/zinc/99/83/79/1025998379.db2.gz YTBYUECBVVJAMB-UHFFFAOYSA-N -1 0 335.400 3.648 20 0 EHADRM CCc1cccc(Cl)c1C[NH+]=c1[n-]ncn1Cc1ccccc1 ZINC000530542946 1025998730 /nfs/dbraw/zinc/99/87/30/1025998730.db2.gz NGIACSRVBZYCGI-UHFFFAOYSA-N -1 0 326.831 3.576 20 0 EHADRM CCC[C@@](C)(NC(=O)Nc1ccc(OC2CCCC2)cc1)C(=O)[O-] ZINC000582379165 1026007160 /nfs/dbraw/zinc/00/71/60/1026007160.db2.gz VKSRDEMSTDNAPL-GOSISDBHSA-N -1 0 334.416 3.773 20 0 EHADRM C[C@H]1CN(C(=O)Cc2cccc(C(=O)[O-])c2)CC[C@H]1c1ccccc1 ZINC000262175704 1026007255 /nfs/dbraw/zinc/00/72/55/1026007255.db2.gz LUVBAPZZAZPJRD-HNAYVOBHSA-N -1 0 337.419 3.580 20 0 EHADRM O=c1[n-]c([C@@H]2CCCCN2Cc2cc(Cl)ccc2Cl)n[nH]1 ZINC000329564163 1026011406 /nfs/dbraw/zinc/01/14/06/1026011406.db2.gz GXPYJYUCALZFFB-LBPRGKRZSA-N -1 0 327.215 3.544 20 0 EHADRM CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000436674053 1026013900 /nfs/dbraw/zinc/01/39/00/1026013900.db2.gz QWBNYTODOLHAMQ-NSHDSACASA-N -1 0 346.814 3.826 20 0 EHADRM CC[C@@H](C)n1ncc(NC(=O)c2cc(F)cc(Cl)c2[O-])c1C ZINC000436674517 1026018361 /nfs/dbraw/zinc/01/83/61/1026018361.db2.gz ILTZIEQWRZCFEF-MRVPVSSYSA-N -1 0 325.771 3.913 20 0 EHADRM CC(C)[C@H](c1ccccc1)N(C)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000665326179 1026026077 /nfs/dbraw/zinc/02/60/77/1026026077.db2.gz WWGZDXKAIVSYCY-IAGOWNOFSA-N -1 0 332.444 3.526 20 0 EHADRM CC(C)(C)CS(=O)(=O)[N-][C@H](c1c[nH]c2ccccc12)C(F)(F)F ZINC000443443003 1026040039 /nfs/dbraw/zinc/04/00/39/1026040039.db2.gz HWANRXXPRKAHIF-CYBMUJFWSA-N -1 0 348.390 3.737 20 0 EHADRM CC[C@H](C)n1[nH]c(=NC(=O)c2c([O-])cc(Cl)cc2Cl)cc1C ZINC000436687497 1026041883 /nfs/dbraw/zinc/04/18/83/1026041883.db2.gz IRMQVGOKCRGXPH-QMMMGPOBSA-N -1 0 342.226 3.849 20 0 EHADRM Cc1c(Br)cccc1NC(=O)C(C)(C)CCC(=O)[O-] ZINC000634820062 1026043916 /nfs/dbraw/zinc/04/39/16/1026043916.db2.gz JXEVFAGVZYMYCA-UHFFFAOYSA-N -1 0 328.206 3.587 20 0 EHADRM Oc1ccc(-c2nc(-c3cnc(-c4ccccc4)nc3)no2)c(F)c1 ZINC000436690508 1026048524 /nfs/dbraw/zinc/04/85/24/1026048524.db2.gz RDXAXVSUHIOEQT-UHFFFAOYSA-N -1 0 334.310 3.705 20 0 EHADRM CCC[C@H](CC)S(=O)(=O)Nc1c(C)ccc(Cl)c1C(=O)[O-] ZINC000684844501 1026051148 /nfs/dbraw/zinc/05/11/48/1026051148.db2.gz GGXKFZQRGQDHQV-JTQLQIEISA-N -1 0 333.837 3.667 20 0 EHADRM O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc([O-])c(Cl)c1 ZINC000158502255 1026052493 /nfs/dbraw/zinc/05/24/93/1026052493.db2.gz PRNZWBGTFBPAFV-WMLDXEAASA-N -1 0 331.799 3.696 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(C)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000665327947 1026055330 /nfs/dbraw/zinc/05/53/30/1026055330.db2.gz AFPWTKRJYVACEK-SMDDNHRTSA-N -1 0 338.835 3.543 20 0 EHADRM CCC(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000563321287 1026062187 /nfs/dbraw/zinc/06/21/87/1026062187.db2.gz FOUKFXYMMFVZEQ-UHFFFAOYSA-N -1 0 341.791 3.873 20 0 EHADRM O=C(c1nn(-c2ccc(F)cc2)cc1[O-])N1CCC[C@@H]2CCCC[C@@H]21 ZINC000129614056 1026066153 /nfs/dbraw/zinc/06/61/53/1026066153.db2.gz IHXDVXIGKJOYSM-BBRMVZONSA-N -1 0 343.402 3.512 20 0 EHADRM CC(C)(CCC(=O)[O-])C(=O)Nc1ccc(Oc2ccncc2)cc1 ZINC000634820562 1026073640 /nfs/dbraw/zinc/07/36/40/1026073640.db2.gz YWCRRITWYRDOAX-UHFFFAOYSA-N -1 0 328.368 3.703 20 0 EHADRM Cc1cc(=NC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)[n-]nc1C ZINC000467474927 1026091523 /nfs/dbraw/zinc/09/15/23/1026091523.db2.gz HTJTWTMNVNLQSO-UHFFFAOYSA-N -1 0 338.455 3.835 20 0 EHADRM C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000516192617 1026101245 /nfs/dbraw/zinc/10/12/45/1026101245.db2.gz GOSJOLAQJXCXHQ-CBAPKCEASA-N -1 0 341.251 3.824 20 0 EHADRM O=C(NCCc1cccnc1)c1cc(Cl)c2ccccc2c1[O-] ZINC000436758486 1026126918 /nfs/dbraw/zinc/12/69/18/1026126918.db2.gz ZEYXEBYWIPDPPR-UHFFFAOYSA-N -1 0 326.783 3.566 20 0 EHADRM NC(=O)c1ccc(NC(=O)c2cc(Cl)c3ccccc3c2[O-])cc1 ZINC000436754476 1026144764 /nfs/dbraw/zinc/14/47/64/1026144764.db2.gz HSBJWJWSDCNBOR-UHFFFAOYSA-N -1 0 340.766 3.550 20 0 EHADRM C[C@H]1COc2ccccc2CN1C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436772308 1026149945 /nfs/dbraw/zinc/14/99/45/1026149945.db2.gz JLDRVMBTRJPVRT-JTQLQIEISA-N -1 0 335.762 3.608 20 0 EHADRM CCC(CC)(NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000342539862 1026179528 /nfs/dbraw/zinc/17/95/28/1026179528.db2.gz DDEHXRCTSRYCRL-QWRGUYRKSA-N -1 0 344.238 3.857 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H]1C(=O)Nc1cc(Cl)ccc1Br ZINC000128293598 1026250296 /nfs/dbraw/zinc/25/02/96/1026250296.db2.gz AYEKUZJTOZUGDC-RKDXNWHRSA-N -1 0 346.608 3.542 20 0 EHADRM Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2CC(F)(F)F)s1 ZINC000451749555 1026259464 /nfs/dbraw/zinc/25/94/64/1026259464.db2.gz RCGISGAMNRVURC-QWRGUYRKSA-N -1 0 341.420 3.846 20 0 EHADRM O=S(=O)(N[C@H]1CCCC[C@H]1CC(F)(F)F)c1ccccc1F ZINC000451751055 1026259848 /nfs/dbraw/zinc/25/98/48/1026259848.db2.gz WWBPEFFZLYADJA-JQWIXIFHSA-N -1 0 339.354 3.615 20 0 EHADRM Cn1ccc2c1cccc2[N-]S(=O)(=O)c1cnc2ccsc2c1 ZINC000530757060 1026289551 /nfs/dbraw/zinc/28/95/51/1026289551.db2.gz YGKNWVVQHJKDMD-UHFFFAOYSA-N -1 0 343.433 3.589 20 0 EHADRM CC(C)c1ncc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)cn1 ZINC000342577542 1026331337 /nfs/dbraw/zinc/33/13/37/1026331337.db2.gz VXMFZUAHQPVJJZ-UHFFFAOYSA-N -1 0 346.239 3.708 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@@H]2CCSc3ccccc32)c1 ZINC000262460070 1026358611 /nfs/dbraw/zinc/35/86/11/1026358611.db2.gz FQUQPCFYPKBYSA-MRXNPFEDSA-N -1 0 341.432 3.922 20 0 EHADRM CC(C)N(Cc1ccc(F)cc1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000348736799 1026365180 /nfs/dbraw/zinc/36/51/80/1026365180.db2.gz AFZMJPOPLOKCBT-UHFFFAOYSA-N -1 0 341.304 3.999 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N2Cc3ccc(C)cc3C2)s1 ZINC000431421820 1026367763 /nfs/dbraw/zinc/36/77/63/1026367763.db2.gz NGSCPVDPKQLXNS-UHFFFAOYSA-N -1 0 330.457 3.549 20 0 EHADRM CCC(CC)(CC(=O)Nc1ccc(OC(C)C)c(OC)c1)C(=O)[O-] ZINC000342611241 1026463944 /nfs/dbraw/zinc/46/39/44/1026463944.db2.gz XDWLCLGIEAPSPE-UHFFFAOYSA-N -1 0 337.416 3.702 20 0 EHADRM Cc1cc(Nc2ccc(OC3CCOCC3)cc2)cc(C(=O)[O-])c1 ZINC001211547472 1026470833 /nfs/dbraw/zinc/47/08/33/1026470833.db2.gz QIRKFHMPXFSCDN-UHFFFAOYSA-N -1 0 327.380 3.995 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2n[nH]c3ccccc32)cc1 ZINC000320573569 1026533009 /nfs/dbraw/zinc/53/30/09/1026533009.db2.gz WHHRRMYDLFDOGF-UHFFFAOYSA-N -1 0 329.425 3.661 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1ccc(C(C)C)s1 ZINC000192880456 1026573235 /nfs/dbraw/zinc/57/32/35/1026573235.db2.gz HKDKMUTXSMKRQE-UHFFFAOYSA-N -1 0 333.409 3.896 20 0 EHADRM CCn1nc([N-]S(=O)(=O)c2cc(Cl)ccc2C)cc1C1CC1 ZINC000531163125 1026634916 /nfs/dbraw/zinc/63/49/16/1026634916.db2.gz PBEOSSHUIWZWTB-UHFFFAOYSA-N -1 0 339.848 3.543 20 0 EHADRM CC(C)(CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1)C(=O)[O-] ZINC000582629848 1026819845 /nfs/dbraw/zinc/81/98/45/1026819845.db2.gz OPRVEGYEMKPKFG-UHFFFAOYSA-N -1 0 335.419 3.988 20 0 EHADRM COc1ccc(CC[C@@H](C)NC(=O)c2cc(O)ccc2Cl)cc1 ZINC000277762948 1026836448 /nfs/dbraw/zinc/83/64/48/1026836448.db2.gz SKMGFXFWJIYTEH-GFCCVEGCSA-N -1 0 333.815 3.805 20 0 EHADRM CCC[C@@](C)(NC(=O)Nc1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000582657789 1026881349 /nfs/dbraw/zinc/88/13/49/1026881349.db2.gz TWXAVBBQNRTESY-OAHLLOKOSA-N -1 0 346.349 3.946 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)cc1C ZINC000342756988 1026957518 /nfs/dbraw/zinc/95/75/18/1026957518.db2.gz LWJQFIYJOVIJTO-JTQLQIEISA-N -1 0 343.399 3.550 20 0 EHADRM COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2cccc(Cl)c2[O-])cc1 ZINC000760144944 1026988780 /nfs/dbraw/zinc/98/87/80/1026988780.db2.gz XRJXJIHFMWUWAS-NSHDSACASA-N -1 0 347.798 3.650 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CNC(=O)c2c([O-])cc(Cl)cc2Cl)CCO1 ZINC000452840736 1027035831 /nfs/dbraw/zinc/03/58/31/1027035831.db2.gz PUVWJPAQEJCBIR-HZMBPMFUSA-N -1 0 346.254 3.880 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1C ZINC000531600208 1027093718 /nfs/dbraw/zinc/09/37/18/1027093718.db2.gz PTTUQGLKWJGIOF-UHFFFAOYSA-N -1 0 341.454 3.653 20 0 EHADRM CC[C@H]1CCN(C(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])C1 ZINC000153155163 1027127584 /nfs/dbraw/zinc/12/75/84/1027127584.db2.gz RLJAQEJTQKFRFB-AWEZNQCLSA-N -1 0 327.428 3.573 20 0 EHADRM COc1ccc(C)cc1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000614738272 1027202728 /nfs/dbraw/zinc/20/27/28/1027202728.db2.gz XSNWKJYNCBKUID-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM CCCOc1c(Cl)cc(CN=c2[n-]nc(CC)o2)cc1OCC ZINC000453052485 1027292645 /nfs/dbraw/zinc/29/26/45/1027292645.db2.gz PJTJDIVOVPNQRY-UHFFFAOYSA-N -1 0 339.823 3.507 20 0 EHADRM Cc1n[nH]c(C)c1[C@@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000273187807 1027303521 /nfs/dbraw/zinc/30/35/21/1027303521.db2.gz GFNJMHQZUBFVIR-ZCFIWIBFSA-N -1 0 328.199 3.781 20 0 EHADRM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC000614739249 1027327296 /nfs/dbraw/zinc/32/72/96/1027327296.db2.gz KFXLKRKRNUJKEL-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM C[C@@H](NC(=O)C[C@@H](C(=O)[O-])c1ccccc1)c1cc2ccccc2o1 ZINC000029010800 1027375822 /nfs/dbraw/zinc/37/58/22/1027375822.db2.gz LVEPCRBJKUGIKC-CZUORRHYSA-N -1 0 337.375 3.869 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)C1 ZINC000414444806 1027392923 /nfs/dbraw/zinc/39/29/23/1027392923.db2.gz GBMGEZSTVSROKN-HOSYDEDBSA-N -1 0 349.736 3.561 20 0 EHADRM O=C([O-])C1(CC(=O)NCC(c2ccccc2)c2ccccc2)CCC1 ZINC000262522425 1027576194 /nfs/dbraw/zinc/57/61/94/1027576194.db2.gz NZUDUEZJATYESL-UHFFFAOYSA-N -1 0 337.419 3.580 20 0 EHADRM O=C([O-])CCCCCNC(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000414642191 1027643030 /nfs/dbraw/zinc/64/30/30/1027643030.db2.gz LVERUUIWGBLGCC-QGZVFWFLSA-N -1 0 348.418 3.706 20 0 EHADRM CCCOc1cccc([N-]S(=O)(=O)c2ccc(CC)s2)c1 ZINC000614790809 1027683664 /nfs/dbraw/zinc/68/36/64/1027683664.db2.gz JMSZZWZJADUBJG-UHFFFAOYSA-N -1 0 325.455 3.900 20 0 EHADRM CCC1CCC(N(C)C(=O)N=c2[n-]nc(-c3ccco3)s2)CC1 ZINC000503266678 1027702520 /nfs/dbraw/zinc/70/25/20/1027702520.db2.gz KBQVNOYRXNBMFI-UHFFFAOYSA-N -1 0 334.445 3.653 20 0 EHADRM CC[C@H](C(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1)c1ccccc1 ZINC000262535710 1027773099 /nfs/dbraw/zinc/77/30/99/1027773099.db2.gz JRPNOPXCMMFSDM-YPMHNXCESA-N -1 0 332.425 3.521 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cccc(COCc3ccco3)c2)CCC1 ZINC000262535520 1027773369 /nfs/dbraw/zinc/77/33/69/1027773369.db2.gz QHHYFGZCCUXZSS-UHFFFAOYSA-N -1 0 343.379 3.580 20 0 EHADRM CCOc1cccc(S(=O)(=O)[N-]c2nc(C3CCC3)cs2)c1 ZINC000548771086 1027780331 /nfs/dbraw/zinc/78/03/31/1027780331.db2.gz SUNORLYSIRQQEM-UHFFFAOYSA-N -1 0 338.454 3.610 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc(OC3CCCCC3)cc2)C1 ZINC000422583001 1027805597 /nfs/dbraw/zinc/80/55/97/1027805597.db2.gz BRCRBRPJLJHKCY-GDBMZVCRSA-N -1 0 345.439 3.581 20 0 EHADRM Cc1ccc(C)c(S([O-])=CC(=O)NC2(c3ccccc3)CCC2)c1 ZINC000132383191 1027914474 /nfs/dbraw/zinc/91/44/74/1027914474.db2.gz FIXQYERMTXCGHJ-XMMPIXPASA-N -1 0 341.476 3.607 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC000262191466 1027958490 /nfs/dbraw/zinc/95/84/90/1027958490.db2.gz YWYKCKVBZVSVJH-KDOFPFPSSA-N -1 0 343.398 3.960 20 0 EHADRM CC(=O)Nc1ccc(/C=C(/CC(=O)[O-])c2nc3ccccc3o2)cc1 ZINC000213701459 1027967578 /nfs/dbraw/zinc/96/75/78/1027967578.db2.gz FBQKDKYWQYWSSM-UVTDQMKNSA-N -1 0 336.347 3.802 20 0 EHADRM C[C@]1(CCc2ccccc2)CCN(C(=O)CC2(C(=O)[O-])CCC2)C1 ZINC000262554706 1027986138 /nfs/dbraw/zinc/98/61/38/1027986138.db2.gz UQISACQTKXRHGL-IBGZPJMESA-N -1 0 329.440 3.503 20 0 EHADRM C[C@@H]1CCN(C(=O)CC2CCC(C(=O)[O-])CC2)[C@H](c2ccco2)C1 ZINC000582847171 1027995390 /nfs/dbraw/zinc/99/53/90/1027995390.db2.gz DHIXVHXYZHOURM-LMPOIIKSSA-N -1 0 333.428 3.860 20 0 EHADRM Cc1ccc2c(CCNC(=O)c3ccc([O-])c(Cl)c3)cn(C)c2c1 ZINC000444518431 1028004866 /nfs/dbraw/zinc/00/48/66/1028004866.db2.gz JKKDMXWNRXDYLF-UHFFFAOYSA-N -1 0 342.826 3.818 20 0 EHADRM CCCN(C(=O)c1ccc(Cl)c(Cl)c1[O-])[C@H](C)C(=O)OCC ZINC000444674786 1028146030 /nfs/dbraw/zinc/14/60/30/1028146030.db2.gz PZXXRIUFGFAKKF-SECBINFHSA-N -1 0 348.226 3.503 20 0 EHADRM CCn1nccc1[N-]S(=O)(=O)c1c(C)sc2c1cccc2C ZINC000421223857 1028209400 /nfs/dbraw/zinc/20/94/00/1028209400.db2.gz GQHBBTYENWINMA-UHFFFAOYSA-N -1 0 335.454 3.535 20 0 EHADRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000614852841 1028211424 /nfs/dbraw/zinc/21/14/24/1028211424.db2.gz TZJMWHCFEYHDJJ-UHFFFAOYSA-N -1 0 343.807 3.987 20 0 EHADRM Cc1cc(Nc2cc(Cl)cc(C(=O)[O-])c2)n(CC2CCOCC2)n1 ZINC001211962710 1028215970 /nfs/dbraw/zinc/21/59/70/1028215970.db2.gz MVBJINVUBPHPRP-UHFFFAOYSA-N -1 0 349.818 3.713 20 0 EHADRM COC(Cc1ccccc1Nc1cc(Cl)cc(C(=O)[O-])c1)OC ZINC001211965025 1028268863 /nfs/dbraw/zinc/26/88/63/1028268863.db2.gz JZZLLVSNPGMHIJ-UHFFFAOYSA-N -1 0 335.787 3.943 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000236609062 1028559270 /nfs/dbraw/zinc/55/92/70/1028559270.db2.gz LDRFCHMOIUOTFZ-GYSYKLTISA-N -1 0 344.238 3.712 20 0 EHADRM CC(C)(C)CCCC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000236600621 1028560075 /nfs/dbraw/zinc/56/00/75/1028560075.db2.gz CUAKPHBPKXFBPD-INIZCTEOSA-N -1 0 348.418 3.635 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cccc(OC2CCCC2)c1 ZINC000237996126 1028559978 /nfs/dbraw/zinc/55/99/78/1028559978.db2.gz NHTZCOPJMPDGAT-MRXNPFEDSA-N -1 0 345.439 3.868 20 0 EHADRM Cc1cccc(Oc2ccccc2CNC(=O)CC(C)(C)C(=O)[O-])c1 ZINC000523739118 1028581042 /nfs/dbraw/zinc/58/10/42/1028581042.db2.gz BNRILJRZPZMCQV-UHFFFAOYSA-N -1 0 341.407 3.904 20 0 EHADRM Cc1nc([C@H](C)NC(=O)c2sccc2C(C)C)sc1C(=O)[O-] ZINC000236814256 1028590978 /nfs/dbraw/zinc/59/09/78/1028590978.db2.gz JKPLZYSCUCZUQL-VIFPVBQESA-N -1 0 338.454 3.826 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000236972744 1028605322 /nfs/dbraw/zinc/60/53/22/1028605322.db2.gz URGOCFOZUVYJEF-AEHQLWAISA-N -1 0 344.238 3.712 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cccc3ccc(C)nc32)cc1C ZINC000074858935 1028636674 /nfs/dbraw/zinc/63/66/74/1028636674.db2.gz YVPYFPFPRWUZAF-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM CCn1c(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc2ccccc21 ZINC000237198975 1028641538 /nfs/dbraw/zinc/64/15/38/1028641538.db2.gz BNCCMNUVMOFLNJ-INIZCTEOSA-N -1 0 336.391 3.607 20 0 EHADRM CCCC[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000075240442 1028643881 /nfs/dbraw/zinc/64/38/81/1028643881.db2.gz YNTUKQUJMORUJM-IBGZPJMESA-N -1 0 339.435 3.968 20 0 EHADRM C[C@H](CN(C(=O)c1cccc(OC2CCCCC2)c1)C1CC1)C(=O)[O-] ZINC000237384503 1028650072 /nfs/dbraw/zinc/65/00/72/1028650072.db2.gz YQQSIMBFAYZDNW-CQSZACIVSA-N -1 0 345.439 3.723 20 0 EHADRM C[C@H](C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])c1cc2ccccc2o1 ZINC000237415659 1028650818 /nfs/dbraw/zinc/65/08/18/1028650818.db2.gz DGRLFLVSOJOQBR-SUMWQHHRSA-N -1 0 349.386 3.574 20 0 EHADRM Cc1cc(C(=O)N2CCCC[C@H]2C(=O)[O-])c(C)n1C1CCCCC1 ZINC000237684340 1028663013 /nfs/dbraw/zinc/66/30/13/1028663013.db2.gz VIYAUEUETUDSHG-KRWDZBQOSA-N -1 0 332.444 3.689 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)c1 ZINC000238032684 1028672931 /nfs/dbraw/zinc/67/29/31/1028672931.db2.gz DGKQMOSNEAPGSX-HUUCEWRRSA-N -1 0 345.782 3.546 20 0 EHADRM O=C([O-])c1ccn(-c2ccccc2NC(=O)c2coc3ccccc23)n1 ZINC000238072204 1028675525 /nfs/dbraw/zinc/67/55/25/1028675525.db2.gz RWSYCQDIXZTBHB-UHFFFAOYSA-N -1 0 347.330 3.569 20 0 EHADRM CCc1ccc(O)c(C(=O)Nc2nnc(/C=C\c3ccco3)s2)c1 ZINC001167651781 1028676926 /nfs/dbraw/zinc/67/69/26/1028676926.db2.gz YSUYXLFFXKEZGV-VURMDHGXSA-N -1 0 341.392 3.822 20 0 EHADRM CCc1ccc(O)c(C(=O)Nc2nnc(/C=C/c3ccco3)s2)c1 ZINC001167651780 1028677043 /nfs/dbraw/zinc/67/70/43/1028677043.db2.gz YSUYXLFFXKEZGV-SOFGYWHQSA-N -1 0 341.392 3.822 20 0 EHADRM O=C([O-])c1cc(C(=O)N[C@@H](c2cccc(F)c2)C2CCCC2)ccn1 ZINC000238178338 1028681933 /nfs/dbraw/zinc/68/19/33/1028681933.db2.gz BIIODRDWFAOQJI-QGZVFWFLSA-N -1 0 342.370 3.580 20 0 EHADRM CC[C@H](CNC(=O)N=c1nc(C(C)(C)C)[n-]s1)c1ccccc1 ZINC000523927687 1028719523 /nfs/dbraw/zinc/71/95/23/1028719523.db2.gz LGUOBHXMCWUEPN-GFCCVEGCSA-N -1 0 332.473 3.573 20 0 EHADRM CC[C@](C)(NC(=O)NCc1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000583061728 1028724456 /nfs/dbraw/zinc/72/44/56/1028724456.db2.gz LLTFXQPAGVLRID-IBGZPJMESA-N -1 0 342.395 3.531 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccc(OCC(C)C)nc2)s1 ZINC000523958537 1028742776 /nfs/dbraw/zinc/74/27/76/1028742776.db2.gz ZIQPKFKUPHORLW-UHFFFAOYSA-N -1 0 340.470 3.541 20 0 EHADRM C[C@H]1CCN(C(=O)N=c2nc(-c3ccccc3)[n-]s2)C[C@@H](C)C1 ZINC000502864802 1028776313 /nfs/dbraw/zinc/77/63/13/1028776313.db2.gz WEOXRNRIAKYGNT-STQMWFEESA-N -1 0 330.457 3.527 20 0 EHADRM C[C@@H]1CCN(C(=O)N=c2nc(-c3ccccc3)[n-]s2)C[C@@H](C)C1 ZINC000502864800 1028776532 /nfs/dbraw/zinc/77/65/32/1028776532.db2.gz WEOXRNRIAKYGNT-OLZOCXBDSA-N -1 0 330.457 3.527 20 0 EHADRM COc1cc(/C=C\c2nc(-c3ccc(O)cc3F)no2)cc(OC)c1 ZINC000445462650 1028831464 /nfs/dbraw/zinc/83/14/64/1028831464.db2.gz MAIFAMGEMWAREI-UTCJRWHESA-N -1 0 342.326 3.769 20 0 EHADRM Cc1cc(F)c(S(=O)(=O)[N-]c2ncc(C(C)C)s2)c(F)c1 ZINC000424210203 1028871741 /nfs/dbraw/zinc/87/17/41/1028871741.db2.gz UMFVFQJVUOJXRN-UHFFFAOYSA-N -1 0 332.397 3.654 20 0 EHADRM Cc1ccc(Nc2nc(CN3CCC[C@@H](C)[C@H]3C(=O)[O-])cs2)cc1 ZINC000424265761 1028921959 /nfs/dbraw/zinc/92/19/59/1028921959.db2.gz IIOFMKWNKZSGOK-CJNGLKHVSA-N -1 0 345.468 3.880 20 0 EHADRM COCc1ccc(NC(=O)CC2(C(=O)[O-])CCCCCC2)cc1OC ZINC000634849481 1028956398 /nfs/dbraw/zinc/95/63/98/1028956398.db2.gz CKAUJBUZVAJVDM-UHFFFAOYSA-N -1 0 349.427 3.595 20 0 EHADRM CC1(C)CCc2sc(NC(=O)c3cc(F)c(F)c([O-])c3F)nc21 ZINC000421959050 1028967212 /nfs/dbraw/zinc/96/72/12/1028967212.db2.gz IOKCKKSSJWOGCL-UHFFFAOYSA-N -1 0 342.342 3.742 20 0 EHADRM Cc1c(NC(=O)NCCC(C)(C)C(=O)[O-])cccc1C(F)(F)F ZINC000424386327 1029038632 /nfs/dbraw/zinc/03/86/32/1029038632.db2.gz VHSIUJXLMQNZEZ-UHFFFAOYSA-N -1 0 332.322 3.636 20 0 EHADRM CC(C)C[C@H](CNC(=O)N[C@H](C)c1cc2ccccc2o1)C(=O)[O-] ZINC000424385558 1029039977 /nfs/dbraw/zinc/03/99/77/1029039977.db2.gz GPVONALQGKXKOJ-TZMCWYRMSA-N -1 0 332.400 3.540 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)NCCC(C)(C)C(=O)[O-])c1ccc(F)cc1 ZINC000424398697 1029049378 /nfs/dbraw/zinc/04/93/78/1029049378.db2.gz VWMFNMNMTYZPHI-AWEZNQCLSA-N -1 0 338.423 3.713 20 0 EHADRM C[C@@H](NC(=O)NCCC(C)(C)C(=O)[O-])c1ccc(F)c2ccccc21 ZINC000424397431 1029050713 /nfs/dbraw/zinc/05/07/13/1029050713.db2.gz JZOGTKDDOYCDMF-GFCCVEGCSA-N -1 0 346.402 3.840 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)NC[C@H](CC(C)C)C(=O)[O-])s1 ZINC000424429246 1029073148 /nfs/dbraw/zinc/07/31/48/1029073148.db2.gz ZINYTPRBVPXGOL-UONOGXRCSA-N -1 0 338.473 3.650 20 0 EHADRM Cc1nc([C@H](C)NC(=O)C[C@@H](C)c2ccccc2C)sc1C(=O)[O-] ZINC000237365133 1029075760 /nfs/dbraw/zinc/07/57/60/1029075760.db2.gz SYSUMZYXDLZMTL-YPMHNXCESA-N -1 0 346.452 3.829 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)NCc2cccc(Cl)c2)s1 ZINC000503135089 1029086929 /nfs/dbraw/zinc/08/69/29/1029086929.db2.gz NHPIWOWBZGJYKG-UHFFFAOYSA-N -1 0 338.864 3.839 20 0 EHADRM c1ccc(-c2n[n-]c(=Nc3ccc(N4CCCCC4)nc3)s2)cc1 ZINC000524365831 1029102590 /nfs/dbraw/zinc/10/25/90/1029102590.db2.gz NPVGYEDUKHKWCI-UHFFFAOYSA-N -1 0 337.452 3.756 20 0 EHADRM CCCOc1cc(/C=C/c2nc(C(=O)[O-])ccc2C#N)ccc1OC ZINC000031732851 1029116498 /nfs/dbraw/zinc/11/64/98/1029116498.db2.gz HUDFSBHULRMHAR-QPJJXVBHSA-N -1 0 338.363 3.619 20 0 EHADRM C[C@@H](CC(=O)NCCCCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000237421563 1029198438 /nfs/dbraw/zinc/19/84/38/1029198438.db2.gz YLTAZRAFGZKEKY-LBPRGKRZSA-N -1 0 345.361 3.960 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)[C@@H]1Cc2cc(F)ccc2O1 ZINC000154708479 1029292192 /nfs/dbraw/zinc/29/21/92/1029292192.db2.gz CPAIQAUDKIABAI-ZDUSSCGKSA-N -1 0 342.153 3.780 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)NC[C@@H](C)c2ccc(C)cc2)s1 ZINC000524591465 1029340871 /nfs/dbraw/zinc/34/08/71/1029340871.db2.gz IKPAUNHOYJWEMB-CYBMUJFWSA-N -1 0 332.473 3.536 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N=c3nc(-c4ccsc4)[n-]s3)cc2c1 ZINC000524638565 1029374969 /nfs/dbraw/zinc/37/49/69/1029374969.db2.gz SZGGPVJLSDNCDX-UHFFFAOYSA-N -1 0 340.433 3.731 20 0 EHADRM O=C(Nc1ccc(F)cc1)C1(C(=O)Nc2ccc(Cl)cc2O)CC1 ZINC000533159623 1029386560 /nfs/dbraw/zinc/38/65/60/1029386560.db2.gz MFYQCPDYVSZSJW-UHFFFAOYSA-N -1 0 348.761 3.542 20 0 EHADRM CCc1oc(C(=O)N2CCc3sccc3[C@@H]2CC)cc1C(=O)[O-] ZINC000261604012 1029460716 /nfs/dbraw/zinc/46/07/16/1029460716.db2.gz CXKHJWFKZFGBPK-LBPRGKRZSA-N -1 0 333.409 3.751 20 0 EHADRM O=C([O-])CC1(CC(=O)N2CC[C@H](c3ccc(F)cc3)C2)CCCC1 ZINC000634897844 1029496729 /nfs/dbraw/zinc/49/67/29/1029496729.db2.gz UEYBVQHGJUTOJQ-HNNXBMFYSA-N -1 0 333.403 3.567 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cccc(Cl)c1Cl ZINC000050921297 1029542512 /nfs/dbraw/zinc/54/25/12/1029542512.db2.gz HUPVITBFUYOEBN-SNVBAGLBSA-N -1 0 330.211 3.853 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2F)CC[C@@H]1c1ccccc1 ZINC000262327570 1029585315 /nfs/dbraw/zinc/58/53/15/1029585315.db2.gz DMYMLPLJZAHLAN-CJNGLKHVSA-N -1 0 341.382 3.790 20 0 EHADRM CC(C)Oc1cccc([C@@H](C)NC(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000262400589 1029589102 /nfs/dbraw/zinc/58/91/02/1029589102.db2.gz OAZMNCKVWPDMIG-GFCCVEGCSA-N -1 0 345.370 3.802 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)N2CCC(CC(=O)[O-])CC2)ccc1C(C)C ZINC000262442318 1029594961 /nfs/dbraw/zinc/59/49/61/1029594961.db2.gz NZKZMWMJEULYHN-OAHLLOKOSA-N -1 0 347.455 3.599 20 0 EHADRM Cc1cc(C)cc(C2=CCN(C(=O)Cc3ccccc3C(=O)[O-])CC2)c1 ZINC000262825704 1029642023 /nfs/dbraw/zinc/64/20/23/1029642023.db2.gz QJFCWLWTCQSMQC-UHFFFAOYSA-N -1 0 349.430 3.860 20 0 EHADRM Cc1nc([C@H](C)NC(=O)CCc2cc(C)cc(C)c2)sc1C(=O)[O-] ZINC000262827318 1029642240 /nfs/dbraw/zinc/64/22/40/1029642240.db2.gz QPGCHLYUMUBZEI-ZDUSSCGKSA-N -1 0 346.452 3.577 20 0 EHADRM CCc1cc(C)cc(CC)c1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000262983073 1029654171 /nfs/dbraw/zinc/65/41/71/1029654171.db2.gz CFSDWENGRWMDKN-UHFFFAOYSA-N -1 0 332.444 3.885 20 0 EHADRM Cc1c(Cl)cc(F)c(NC(=O)NC(C)(C)CCC(=O)[O-])c1F ZINC000263043542 1029660947 /nfs/dbraw/zinc/66/09/47/1029660947.db2.gz MFRWSCHSNYTOEJ-UHFFFAOYSA-N -1 0 334.750 3.692 20 0 EHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(Oc2ccccc2)o1 ZINC000263115435 1029666918 /nfs/dbraw/zinc/66/69/18/1029666918.db2.gz WSHHMPNWRPVAMG-GOSISDBHSA-N -1 0 331.368 3.691 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N2CC[C@](C(=O)[O-])(C(C)C)C2)cc1 ZINC000263152948 1029669694 /nfs/dbraw/zinc/66/96/94/1029669694.db2.gz ZFGBHILALKCJPC-FOIQADDNSA-N -1 0 331.456 3.702 20 0 EHADRM Cc1ccc(O[C@@H](C)C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)cc1 ZINC000263168209 1029670481 /nfs/dbraw/zinc/67/04/81/1029670481.db2.gz FQEOVIWSMPTIHX-KGLIPLIRSA-N -1 0 327.380 3.589 20 0 EHADRM Cc1cc2c(cc1C)[C@@H](C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1)CO2 ZINC000263207995 1029674414 /nfs/dbraw/zinc/67/44/14/1029674414.db2.gz KZXPLRVOEMAWKQ-GUYCJALGSA-N -1 0 339.391 3.606 20 0 EHADRM C/C=C/C[C@@H](NC(=O)c1ccc(Cl)cc1SCC)C(=O)[O-] ZINC000263239330 1029678083 /nfs/dbraw/zinc/67/80/83/1029678083.db2.gz DQBKMOQJPBSWDU-OGOUPESXSA-N -1 0 327.833 3.601 20 0 EHADRM CC[C@@H](CC(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1ccc(OC)cc1 ZINC000263318831 1029688132 /nfs/dbraw/zinc/68/81/32/1029688132.db2.gz ZXGKIXJKVZHOLH-DOTOQJQBSA-N -1 0 347.455 3.825 20 0 EHADRM COc1ccc(CCCCCC(=O)N2CCC[C@](C)(C(=O)[O-])C2)cc1 ZINC000263320210 1029688210 /nfs/dbraw/zinc/68/82/10/1029688210.db2.gz NHZUHUZXDAWNDP-FQEVSTJZSA-N -1 0 347.455 3.511 20 0 EHADRM CCCCCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000263326100 1029688730 /nfs/dbraw/zinc/68/87/30/1029688730.db2.gz OUBWPGNDOMUQFB-CVEARBPZSA-N -1 0 335.419 3.845 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)c1 ZINC000263346087 1029690068 /nfs/dbraw/zinc/69/00/68/1029690068.db2.gz UAXXCZIBYVIMIU-SUMWQHHRSA-N -1 0 341.382 3.851 20 0 EHADRM Cc1ccc(Oc2ccccc2NC(=O)N(C)C[C@H](C)C(=O)[O-])cc1 ZINC000263461106 1029700376 /nfs/dbraw/zinc/70/03/76/1029700376.db2.gz DOOYLIDJYIHSDS-AWEZNQCLSA-N -1 0 342.395 3.972 20 0 EHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)[C@H](C)Cc1ccccc1Cl ZINC000263522020 1029708121 /nfs/dbraw/zinc/70/81/21/1029708121.db2.gz HQVPIOGCIOBLRR-SJKOYZFVSA-N -1 0 325.836 3.524 20 0 EHADRM CN(C[C@H]1OCCc2ccccc21)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000278229582 1029741158 /nfs/dbraw/zinc/74/11/58/1029741158.db2.gz VBHGAQCJFVMPPG-MRXNPFEDSA-N -1 0 349.789 3.571 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1ccc(SC)cc1OC ZINC000446648670 1029746153 /nfs/dbraw/zinc/74/61/53/1029746153.db2.gz PKXDKAZKTRJEHL-UHFFFAOYSA-N -1 0 337.466 3.780 20 0 EHADRM CO[C@@H](C)c1nc(=NCC(c2ccccc2)c2ccccc2)s[n-]1 ZINC000509683677 1029772306 /nfs/dbraw/zinc/77/23/06/1029772306.db2.gz NAMVZPKJAXXCOM-AWEZNQCLSA-N -1 0 339.464 3.911 20 0 EHADRM CCCC[C@@H](CC)CC(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000262578051 1029794562 /nfs/dbraw/zinc/79/45/62/1029794562.db2.gz PEGRMVGOTRYFIT-VXGBXAGGSA-N -1 0 326.462 3.933 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-]c2nc3ccsc3s2)c(F)c1 ZINC000446828709 1029811652 /nfs/dbraw/zinc/81/16/52/1029811652.db2.gz YDERCYDSHAHEFW-UHFFFAOYSA-N -1 0 342.442 3.747 20 0 EHADRM C/C=C\C[C@@H](NC(=O)c1ccccc1SCC=C(C)C)C(=O)[O-] ZINC000555915389 1029917038 /nfs/dbraw/zinc/91/70/38/1029917038.db2.gz QZVFRUCVFHYCKD-FOSCPCJNSA-N -1 0 333.453 3.894 20 0 EHADRM Cc1c(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cnn1C1CCCCC1 ZINC000455795762 1029978609 /nfs/dbraw/zinc/97/86/09/1029978609.db2.gz PPZWADAMDZQLHS-MRXNPFEDSA-N -1 0 349.475 3.706 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N2CC3(CCC3)[C@@H]2C2CC2)s1 ZINC000583534257 1030060875 /nfs/dbraw/zinc/06/08/75/1030060875.db2.gz GJPBQHHTSSHAMX-ZDUSSCGKSA-N -1 0 334.489 3.660 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2ncc(-c3ccccc3)cn2)c1 ZINC000481869752 1030072504 /nfs/dbraw/zinc/07/25/04/1030072504.db2.gz PALVTKUVONOTPF-UHFFFAOYSA-N -1 0 339.420 3.507 20 0 EHADRM COc1cc(Cl)c(NC(=O)N(CC(=O)[O-])C2CCCC2)cc1C ZINC000900341130 1030220616 /nfs/dbraw/zinc/22/06/16/1030220616.db2.gz SXXXLKRQDUNZKK-UHFFFAOYSA-N -1 0 340.807 3.518 20 0 EHADRM C[C@H](c1ccccc1F)S(=O)(=O)c1nc(-c2ccc(F)cc2)c[nH]1 ZINC000447495794 1030228638 /nfs/dbraw/zinc/22/86/38/1030228638.db2.gz BGXPNXFNLHIQNY-LLVKDONJSA-N -1 0 348.374 3.890 20 0 EHADRM CC(C)(C)[C@H]1CCN(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])C1 ZINC000447534626 1030270051 /nfs/dbraw/zinc/27/00/51/1030270051.db2.gz YWFIDWMBBYPWSV-LBPRGKRZSA-N -1 0 347.846 3.740 20 0 EHADRM Cc1cc(C)c(NC(=O)C[C@H](C)CC(=O)[O-])c(Br)c1 ZINC000159568313 1030271509 /nfs/dbraw/zinc/27/15/09/1030271509.db2.gz PDEMBEYJCIORDU-VIFPVBQESA-N -1 0 328.206 3.505 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)C1(c2c(Cl)cccc2Cl)CC1 ZINC000532097775 1030395307 /nfs/dbraw/zinc/39/53/07/1030395307.db2.gz SPCORALKVAYJBU-UHFFFAOYSA-N -1 0 348.233 3.753 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])s1)c1cccc(C(F)(F)F)c1 ZINC000237602512 1030448763 /nfs/dbraw/zinc/44/87/63/1030448763.db2.gz WUIAIUHULZFCDJ-QMMMGPOBSA-N -1 0 343.326 3.956 20 0 EHADRM CCO[C@H](CNC(=O)c1cc(F)cc(Cl)c1[O-])c1ccccc1 ZINC000447715977 1030448859 /nfs/dbraw/zinc/44/88/59/1030448859.db2.gz AVMGUQSNFZVVON-OAHLLOKOSA-N -1 0 337.778 3.692 20 0 EHADRM CCOc1ccc(NC(=O)c2cc(F)c([O-])c(Cl)c2)cc1OC ZINC000194368073 1030468699 /nfs/dbraw/zinc/46/86/99/1030468699.db2.gz OMYDUDIMAUNIKK-UHFFFAOYSA-N -1 0 339.750 3.844 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1cccc2c1OCC[C@@H]2OC ZINC000447782169 1030472250 /nfs/dbraw/zinc/47/22/50/1030472250.db2.gz XGODGOMIIWQSAS-INIZCTEOSA-N -1 0 347.436 3.520 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)c3cc(F)c(Cl)cc3F)[nH][n-]2)o1 ZINC000447801473 1030485825 /nfs/dbraw/zinc/48/58/25/1030485825.db2.gz CGNGEDAPOJGTMY-UHFFFAOYSA-N -1 0 337.713 3.584 20 0 EHADRM COc1nc(Br)ccc1Nc1ccc(C)c(C(=O)[O-])c1 ZINC001211594259 1030489022 /nfs/dbraw/zinc/48/90/22/1030489022.db2.gz QTXHEPUCIMOPMM-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM CCS[C@@H]1CCC[C@H]1NC(=O)c1cccc(Br)c1[O-] ZINC000532284693 1030534098 /nfs/dbraw/zinc/53/40/98/1030534098.db2.gz XPFFYMFHEOVTJV-VXGBXAGGSA-N -1 0 344.274 3.559 20 0 EHADRM CCCn1ccc2ccc(NC(=O)N(CC(=O)[O-])CC(C)C)cc21 ZINC000583730977 1030576406 /nfs/dbraw/zinc/57/64/06/1030576406.db2.gz GSPWAGSZRPMWLG-UHFFFAOYSA-N -1 0 331.416 3.626 20 0 EHADRM CCCC[C@@H](CC)C(=O)N(CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000447897740 1030577315 /nfs/dbraw/zinc/57/73/15/1030577315.db2.gz OVTJQLLDRUYIEQ-CYBMUJFWSA-N -1 0 327.371 3.594 20 0 EHADRM C[C@@H](NCc1ccc(C(=O)[O-])c(Cl)c1)c1nc(C(C)(C)C)no1 ZINC000901464671 1030578087 /nfs/dbraw/zinc/57/80/87/1030578087.db2.gz MQVILGSQKHNCAA-SECBINFHSA-N -1 0 337.807 3.570 20 0 EHADRM CCSc1n[n-]c(=NCc2cnc(-c3cccs3)s2)s1 ZINC000447953707 1030623855 /nfs/dbraw/zinc/62/38/55/1030623855.db2.gz LQUICCCQSGVCEH-UHFFFAOYSA-N -1 0 340.524 3.869 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N2CCC[C@H]2/C=C/c2ccccc2)CC1 ZINC000583755309 1030643094 /nfs/dbraw/zinc/64/30/94/1030643094.db2.gz LQDPNMRWQBSIAF-WDEJTHANSA-N -1 0 341.451 3.972 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N2CCC[C@@H]2/C=C\c2ccccc2)CC1 ZINC000583755307 1030643258 /nfs/dbraw/zinc/64/32/58/1030643258.db2.gz LQDPNMRWQBSIAF-LHLQUBDCSA-N -1 0 341.451 3.972 20 0 EHADRM CCc1onc(C)c1[N-]S(=O)(=O)c1c(C)cc(Cl)cc1C ZINC000901649559 1030644315 /nfs/dbraw/zinc/64/43/15/1030644315.db2.gz ZWVDVPQBWVZRLM-UHFFFAOYSA-N -1 0 328.821 3.616 20 0 EHADRM C[C@@H]1CN(C(=O)N=c2nc(-c3ccsc3)[n-]s2)[C@H]2CCCC[C@H]12 ZINC000448000758 1030650975 /nfs/dbraw/zinc/65/09/75/1030650975.db2.gz OLSLWLLJBOJWLB-RTXFEEFZSA-N -1 0 348.497 3.731 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1cnn(CC(C)C)c1C1CC1 ZINC000583756830 1030651152 /nfs/dbraw/zinc/65/11/52/1030651152.db2.gz RBOMHNUMNQOHFR-UHFFFAOYSA-N -1 0 339.486 3.587 20 0 EHADRM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CC[C@H](C2CCOCC2)C1 ZINC000935080410 1030680957 /nfs/dbraw/zinc/68/09/57/1030680957.db2.gz ZFBLGQUIPFSPIW-NSHDSACASA-N -1 0 344.238 3.588 20 0 EHADRM O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1ccc(O)cc1O ZINC000194211775 1030689796 /nfs/dbraw/zinc/68/97/96/1030689796.db2.gz ZZQMSBGOOSLTCZ-UHFFFAOYSA-N -1 0 349.390 3.550 20 0 EHADRM O=S(=O)([N-]c1nc(C2CCC2)cs1)C1=Cc2ccccc2OC1 ZINC000278423271 1030741700 /nfs/dbraw/zinc/74/17/00/1030741700.db2.gz RXCIHUYAZKMADV-UHFFFAOYSA-N -1 0 348.449 3.586 20 0 EHADRM CO[C@H](C)c1cccc(NS(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000157740170 1030817033 /nfs/dbraw/zinc/81/70/33/1030817033.db2.gz CBWNFIHAIRPAQH-SECBINFHSA-N -1 0 345.342 3.612 20 0 EHADRM Cc1ccc(Nc2sc3c(c2C(N)=O)C[C@@H](C)CC3)cc1C(=O)[O-] ZINC001211599126 1030831705 /nfs/dbraw/zinc/83/17/05/1030831705.db2.gz BHGJWGPIDZVGDX-VIFPVBQESA-N -1 0 344.436 3.722 20 0 EHADRM Cc1cc(N2CCC(c3ccccc3C(=O)[O-])CC2)nc(C2CC2)n1 ZINC000668169885 1030835968 /nfs/dbraw/zinc/83/59/68/1030835968.db2.gz LCZQMYGLJGXDTJ-UHFFFAOYSA-N -1 0 337.423 3.745 20 0 EHADRM COc1cc(Nc2ccc(C)c(C(=O)[O-])c2)cc(Br)n1 ZINC001211599771 1030874831 /nfs/dbraw/zinc/87/48/31/1030874831.db2.gz VRMQDRLNYGWQMK-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM COCc1cc(-c2ccc(C3(C(=O)[O-])CCOCC3)cc2)cs1 ZINC000630576749 1030911581 /nfs/dbraw/zinc/91/15/81/1030911581.db2.gz PKYAKNJFQCITQT-UHFFFAOYSA-N -1 0 332.421 3.694 20 0 EHADRM COC(=O)c1ccc(NC(=O)c2cc(F)c([O-])c(Cl)c2)cc1C ZINC000194586154 1030926594 /nfs/dbraw/zinc/92/65/94/1030926594.db2.gz DMPUSLDAHZGZLB-UHFFFAOYSA-N -1 0 337.734 3.532 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cnc(CC3CC3)nc2)cc1 ZINC000551037361 1030962995 /nfs/dbraw/zinc/96/29/95/1030962995.db2.gz OIPOXVVIWHQNEN-UHFFFAOYSA-N -1 0 345.468 3.527 20 0 EHADRM O=C([O-])[C@@]1(CC(=O)Nc2ccc(Cl)c(Cl)c2)CCSC1 ZINC000146864544 1030980276 /nfs/dbraw/zinc/98/02/76/1030980276.db2.gz WJEIANJUWXNDQN-CYBMUJFWSA-N -1 0 334.224 3.530 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NCc1c[nH]nc1-c1ccccc1F ZINC000551057963 1030991786 /nfs/dbraw/zinc/99/17/86/1030991786.db2.gz PHEDWUMIHMZJOA-UHFFFAOYSA-N -1 0 325.343 3.835 20 0 EHADRM CN(Cc1ccccc1Br)C(=O)c1ccc(F)cc1[O-] ZINC000123203824 1031002664 /nfs/dbraw/zinc/00/26/64/1031002664.db2.gz OWTXIIMBOUHJHD-UHFFFAOYSA-N -1 0 338.176 3.566 20 0 EHADRM C[C@H]1CN(C(=O)CC2CCC(c3ccccc3)CC2)CC[C@H]1C(=O)[O-] ZINC000262887393 1031012032 /nfs/dbraw/zinc/01/20/32/1031012032.db2.gz HFXTYAXOAPRTGP-NHFHULPWSA-N -1 0 343.467 3.920 20 0 EHADRM COc1ccc2oc([C@@H](C)NC(=O)C3(C(=O)[O-])CCCC3)c(C)c2c1 ZINC000583874025 1031018713 /nfs/dbraw/zinc/01/87/13/1031018713.db2.gz GNLGIWZXTZJQKD-GFCCVEGCSA-N -1 0 345.395 3.572 20 0 EHADRM O=C([O-])[C@@]1(CC(=O)Nc2cc(Cl)cc(Cl)c2)CCSC1 ZINC000146869696 1031028844 /nfs/dbraw/zinc/02/88/44/1031028844.db2.gz XVIRENQPYGQXNT-CYBMUJFWSA-N -1 0 334.224 3.530 20 0 EHADRM CCC(C)(C)CC(=O)[N-]S(=O)(=O)c1cc(C(C)(C)C)ccc1C ZINC000745948904 1031146162 /nfs/dbraw/zinc/14/61/62/1031146162.db2.gz YQFLUOOTUNOUJH-UHFFFAOYSA-N -1 0 339.501 3.924 20 0 EHADRM CC(C)c1cnc(NCc2ccc(OCCCC(=O)[O-])cc2)s1 ZINC000583937701 1031173587 /nfs/dbraw/zinc/17/35/87/1031173587.db2.gz XIOJDJSFPPXIHJ-UHFFFAOYSA-N -1 0 334.441 3.544 20 0 EHADRM Cc1ccnc(N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1Br ZINC000650776196 1031247306 /nfs/dbraw/zinc/24/73/06/1031247306.db2.gz QMXOJRFWELAKLQ-OLZOCXBDSA-N -1 0 347.212 3.878 20 0 EHADRM Cc1cc(NC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)[O-])ccc1F ZINC000583972663 1031277970 /nfs/dbraw/zinc/27/79/70/1031277970.db2.gz SZHVSENCYMPRGI-ZDUSSCGKSA-N -1 0 330.359 3.641 20 0 EHADRM COCc1n[n-]c(=NCC(C)(C)c2c(Cl)cccc2Cl)s1 ZINC000477129678 1031279403 /nfs/dbraw/zinc/27/94/03/1031279403.db2.gz XIFKKKIBHLJSPX-UHFFFAOYSA-N -1 0 346.283 3.803 20 0 EHADRM CO[C@@](C)(C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1)c1ccccc1F ZINC000668292437 1031408449 /nfs/dbraw/zinc/40/84/49/1031408449.db2.gz HCRZIRDCPSJKDN-CWTRNNRKSA-N -1 0 345.370 3.514 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)/C=C\c2cc(Cl)ccc2Cl)C1 ZINC000315583179 1031408469 /nfs/dbraw/zinc/40/84/69/1031408469.db2.gz IRKIALAYRYRCPJ-UUSYTGMJSA-N -1 0 342.222 3.720 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N[C@@H]1C[C@H]1c1ccccc1Cl ZINC000564739539 1031414885 /nfs/dbraw/zinc/41/48/85/1031414885.db2.gz IXLXKHHUSVOOQA-DOTOQJQBSA-N -1 0 343.810 3.643 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N1CC[C@@H](C)C[C@H](C)C1)C(=O)[O-] ZINC000668301288 1031431261 /nfs/dbraw/zinc/43/12/61/1031431261.db2.gz HWLWNAWTBKQTOT-HZSPNIEDSA-N -1 0 335.469 3.760 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N[C@@H](C2CCCCC2)C(F)(F)F)CC1 ZINC000668301725 1031433628 /nfs/dbraw/zinc/43/36/28/1031433628.db2.gz QNOQWGIDFPAEEZ-HGMXIMQMSA-N -1 0 349.393 3.895 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CC[C@@H](C)C[C@H](C)C1)C(=O)[O-] ZINC000668301291 1031433938 /nfs/dbraw/zinc/43/39/38/1031433938.db2.gz HWLWNAWTBKQTOT-RDBSUJKOSA-N -1 0 335.469 3.760 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N=c2ccc(C(F)(F)F)n[n-]2)cc1 ZINC000484156207 1031479936 /nfs/dbraw/zinc/47/99/36/1031479936.db2.gz GMQPJZMZGQLOCA-LLVKDONJSA-N -1 0 337.345 3.612 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(F)c([O-])c(Cl)c2)c2ccc(F)cc2O1 ZINC000194758992 1031484836 /nfs/dbraw/zinc/48/48/36/1031484836.db2.gz RADBECTUTQVJEL-MRVPVSSYSA-N -1 0 339.725 3.752 20 0 EHADRM Cc1cccc(O[C@@H](C)CNC(=O)c2cc(F)c([O-])c(Cl)c2)c1 ZINC000194763123 1031485811 /nfs/dbraw/zinc/48/58/11/1031485811.db2.gz SZPUSNKSEFNXOW-NSHDSACASA-N -1 0 337.778 3.690 20 0 EHADRM Cc1cccc(O[C@H](C)CNC(=O)c2cc(F)c([O-])c(Cl)c2)c1 ZINC000194763136 1031486093 /nfs/dbraw/zinc/48/60/93/1031486093.db2.gz SZPUSNKSEFNXOW-LLVKDONJSA-N -1 0 337.778 3.690 20 0 EHADRM COCC[C@H](N=c1nc(-c2ccccc2C)[n-]s1)c1ccco1 ZINC000527955841 1031489103 /nfs/dbraw/zinc/48/91/03/1031489103.db2.gz SQBMAQWZEVKGOA-AWEZNQCLSA-N -1 0 329.425 3.718 20 0 EHADRM CC(C)(CC(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)C(=O)[O-] ZINC000668323076 1031491342 /nfs/dbraw/zinc/49/13/42/1031491342.db2.gz OCVUKUXQPXBGQK-AULYBMBSSA-N -1 0 343.345 3.569 20 0 EHADRM O=S(=O)([N-]c1cc(F)cc(Cl)c1)c1c(F)cc(F)cc1F ZINC000477390608 1031519109 /nfs/dbraw/zinc/51/91/09/1031519109.db2.gz FHAKHUQMUPVLTI-UHFFFAOYSA-N -1 0 339.697 3.697 20 0 EHADRM CC[C@@H](C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl)[C@@H](C)O ZINC000477390059 1031519194 /nfs/dbraw/zinc/51/91/94/1031519194.db2.gz CQHZZMWRLKCYGI-PHDIDXHHSA-N -1 0 326.607 3.698 20 0 EHADRM CCN(CC)C(=O)c1ccccc1Nc1ccc(C)c(C(=O)[O-])c1 ZINC001211608468 1031557995 /nfs/dbraw/zinc/55/79/95/1031557995.db2.gz WIMZJYUJDKWSPV-UHFFFAOYSA-N -1 0 326.396 3.919 20 0 EHADRM CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc(F)c([O-])c(Cl)c2)C12CCC2 ZINC000194859144 1031571984 /nfs/dbraw/zinc/57/19/84/1031571984.db2.gz CSVUGHNAWPUKMC-ZIAGYGMSSA-N -1 0 341.810 3.604 20 0 EHADRM CCO[C@H]1C[C@H](N(C)C(=O)c2cc(F)c([O-])c(Cl)c2)C12CCC2 ZINC000194859128 1031572197 /nfs/dbraw/zinc/57/21/97/1031572197.db2.gz CSVUGHNAWPUKMC-KBPBESRZSA-N -1 0 341.810 3.604 20 0 EHADRM COc1ccc(CNc2ccc(C[C@H](C)C(=O)[O-])cc2)c(F)c1OC ZINC000904015530 1031603763 /nfs/dbraw/zinc/60/37/63/1031603763.db2.gz QWMZWKRBUBXVFF-LBPRGKRZSA-N -1 0 347.386 3.718 20 0 EHADRM O=C([O-])c1c[nH]c(=O)c2cc(NCc3nccc4c3CCCC4)ccc12 ZINC000904018260 1031609163 /nfs/dbraw/zinc/60/91/63/1031609163.db2.gz MQAOSSNSAJHUPJ-UHFFFAOYSA-N -1 0 349.390 3.525 20 0 EHADRM COc1c(F)cc([N-]S(=O)(=O)c2cccc3ccccc32)cc1F ZINC000084460750 1031631117 /nfs/dbraw/zinc/63/11/17/1031631117.db2.gz YZRHQWHITHXOKI-UHFFFAOYSA-N -1 0 349.358 3.927 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)N(CC3CC3)c3ccccc3)cc2=O)cc1 ZINC000084373348 1031637036 /nfs/dbraw/zinc/63/70/36/1031637036.db2.gz WCFAMVCZDORCFG-UHFFFAOYSA-N -1 0 347.418 3.531 20 0 EHADRM O=C([O-])C[C@@H](NCc1ncc(C(F)(F)F)s1)c1ccccc1F ZINC000904045838 1031664354 /nfs/dbraw/zinc/66/43/54/1031664354.db2.gz PQPILRMVCJMXGU-SNVBAGLBSA-N -1 0 348.321 3.607 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])[NH2+]Cc2nc3c(s2)CCCC3)c1 ZINC000904045142 1031665008 /nfs/dbraw/zinc/66/50/08/1031665008.db2.gz HOWIIHDAFXJEDA-OAHLLOKOSA-N -1 0 330.453 3.636 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3C)nn2C)s1 ZINC000080647893 1031680079 /nfs/dbraw/zinc/68/00/79/1031680079.db2.gz DDMLGUTYOXAOIF-UHFFFAOYSA-N -1 0 347.465 3.566 20 0 EHADRM CCc1ccc(CN[C@@H](C(=O)[O-])c2csc(Br)c2)o1 ZINC000904071333 1031698285 /nfs/dbraw/zinc/69/82/85/1031698285.db2.gz ANGFINAOZYPJHE-GFCCVEGCSA-N -1 0 344.230 3.582 20 0 EHADRM Cc1ccsc1CN[C@H](C(=O)[O-])c1csc(Br)c1 ZINC000904071478 1031699182 /nfs/dbraw/zinc/69/91/82/1031699182.db2.gz DUGAKZIINPGCPS-NSHDSACASA-N -1 0 346.271 3.796 20 0 EHADRM COCc1ccccc1S(=O)(=O)[N-]c1ccccc1OC(C)(C)C ZINC000484573881 1031730339 /nfs/dbraw/zinc/73/03/39/1031730339.db2.gz RUCJZWQNQNGCOV-UHFFFAOYSA-N -1 0 349.452 3.811 20 0 EHADRM Cc1cc(CC(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)no1 ZINC000179648131 1031795736 /nfs/dbraw/zinc/79/57/36/1031795736.db2.gz HYPMJXLIVOMBDN-UHFFFAOYSA-N -1 0 335.574 3.830 20 0 EHADRM O=C(Nc1ncn(C2CCCCC2)n1)c1cc(F)c([O-])c(Cl)c1 ZINC000278645497 1031796314 /nfs/dbraw/zinc/79/63/14/1031796314.db2.gz NDYUFQPSRGFKJG-UHFFFAOYSA-N -1 0 338.770 3.534 20 0 EHADRM Cc1cccc(N=c2[n-]nc(SCc3ccc(CO)cc3)s2)c1 ZINC000484641897 1031811623 /nfs/dbraw/zinc/81/16/23/1031811623.db2.gz JPPOQWYSPXQQFB-UHFFFAOYSA-N -1 0 343.477 3.797 20 0 EHADRM O=C([O-])N[C@@H]1C[C@H](Nc2cccc(-c3nccs3)c2)C12CCC2 ZINC000904189268 1031835141 /nfs/dbraw/zinc/83/51/41/1031835141.db2.gz HIARYPOLVTZVDG-UONOGXRCSA-N -1 0 329.425 3.801 20 0 EHADRM CC[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1ccc(F)cc1F ZINC000180043690 1031835406 /nfs/dbraw/zinc/83/54/06/1031835406.db2.gz MNAAQYPYLMBPKO-GFCCVEGCSA-N -1 0 345.267 3.969 20 0 EHADRM Cc1coc(-c2ccc(C)c(N[C@@H]3C[C@@H](NC(=O)[O-])C34CCC4)c2)n1 ZINC000904199461 1031845215 /nfs/dbraw/zinc/84/52/15/1031845215.db2.gz KIUQKTRLOAIDSS-HZPDHXFCSA-N -1 0 341.411 3.949 20 0 EHADRM CCCCn1ncc(N[C@H]2C[C@@H](NC(=O)[O-])C23CCC3)c1C(C)C ZINC000904234414 1031883379 /nfs/dbraw/zinc/88/33/79/1031883379.db2.gz KUJYHRDQWYAJRP-LSDHHAIUSA-N -1 0 334.464 3.797 20 0 EHADRM C[C@@H]1CCN(C(=O)N=c2nc(-c3ccccc3)[n-]s2)CC12CCC2 ZINC000537842630 1031958551 /nfs/dbraw/zinc/95/85/51/1031958551.db2.gz AJIJSKXNWXJXFQ-CYBMUJFWSA-N -1 0 342.468 3.671 20 0 EHADRM CCc1sc(C(=O)NC[C@](C)(C(=O)[O-])c2ccc(F)cc2)cc1C ZINC000448990379 1031999253 /nfs/dbraw/zinc/99/92/53/1031999253.db2.gz ILXNABNWVIFNJS-SFHVURJKSA-N -1 0 349.427 3.530 20 0 EHADRM CCc1nc2sccc2c(N2CCC(C(C)(C)C(=O)[O-])CC2)n1 ZINC000574575058 1033303210 /nfs/dbraw/zinc/30/32/10/1033303210.db2.gz ZAKAPLIPCMGZIF-UHFFFAOYSA-N -1 0 333.457 3.581 20 0 EHADRM CCCC[C@@H](NC(=O)Nc1ccc(CC(F)(F)F)cc1)C(=O)[O-] ZINC000574663988 1033318249 /nfs/dbraw/zinc/31/82/49/1033318249.db2.gz JWELRRNTDHQCFE-GFCCVEGCSA-N -1 0 332.322 3.556 20 0 EHADRM CCCCCc1n[n-]c(=NCc2cnc(-c3ccccc3)nc2)s1 ZINC000537505360 1033511240 /nfs/dbraw/zinc/51/12/40/1033511240.db2.gz NVHBXTHMTRUGGL-UHFFFAOYSA-N -1 0 339.468 3.762 20 0 EHADRM CC(C)Cc1csc2[nH]c(-c3ccc(C(=O)[O-])cc3)nc(=O)c12 ZINC000046703286 1033555636 /nfs/dbraw/zinc/55/56/36/1033555636.db2.gz MCLCNCNQRTVFQJ-UHFFFAOYSA-N -1 0 328.393 3.548 20 0 EHADRM Cc1ccc(Cc2n[n-]c(=NC(=O)N(C)C3CCCCC3)s2)cc1 ZINC000594942394 1033589318 /nfs/dbraw/zinc/58/93/18/1033589318.db2.gz SURZZORTGMIKIP-UHFFFAOYSA-N -1 0 344.484 3.656 20 0 EHADRM CC(C)CCc1ccc(S(=O)(=O)[N-]c2cnn(CC3CC3)c2)cc1 ZINC000608343541 1033623552 /nfs/dbraw/zinc/62/35/52/1033623552.db2.gz FXQOTIWSMXIIBI-UHFFFAOYSA-N -1 0 347.484 3.683 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@H](C)Oc2cc(C)ccc2Cl)c1 ZINC000537545639 1033631123 /nfs/dbraw/zinc/63/11/23/1033631123.db2.gz CIFVPNOFWUUAQD-LBPRGKRZSA-N -1 0 347.798 3.963 20 0 EHADRM C[C@@H]1CC[C@H](C)CN1C(=O)c1cc(Br)c(F)cc1[O-] ZINC000450054017 1033637048 /nfs/dbraw/zinc/63/70/48/1033637048.db2.gz UZKMSIDLCCYWBI-DTWKUNHWSA-N -1 0 330.197 3.554 20 0 EHADRM Cc1cc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)ccc1OC(C)C ZINC000608340755 1033644564 /nfs/dbraw/zinc/64/45/64/1033644564.db2.gz VYEZGEQASACWPI-KRWDZBQOSA-N -1 0 341.407 3.979 20 0 EHADRM N#C/C(=C\c1ccccc1OCC(=O)[O-])C(=O)c1cc2ccccc2o1 ZINC000061110374 1033662981 /nfs/dbraw/zinc/66/29/81/1033662981.db2.gz QTHXLBVSOOMCHN-OQLLNIDSSA-N -1 0 347.326 3.686 20 0 EHADRM C[C@@H]1CN(C(=O)c2c([O-])cc(F)cc2F)CC[C@H]1c1ccccc1 ZINC000608467243 1033721715 /nfs/dbraw/zinc/72/17/15/1033721715.db2.gz AAMKGJVXIWUGIO-IUODEOHRSA-N -1 0 331.362 3.936 20 0 EHADRM CC[C@@H]1CCCCCN1C(=O)c1cccc(Br)c1[O-] ZINC000608489471 1033744852 /nfs/dbraw/zinc/74/48/52/1033744852.db2.gz ADIDALSOWVTWHQ-LLVKDONJSA-N -1 0 326.234 3.950 20 0 EHADRM O=C(Nc1ccc2ccccc2n1)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000046810464 1033763311 /nfs/dbraw/zinc/76/33/11/1033763311.db2.gz IMJDEWBXUUQVKC-UHFFFAOYSA-N -1 0 348.387 3.798 20 0 EHADRM Cc1nn(-c2ccccc2)cc1CN=c1nc(-c2ccccc2)[n-]s1 ZINC000511321475 1033776183 /nfs/dbraw/zinc/77/61/83/1033776183.db2.gz FABOQEMMONNZKX-UHFFFAOYSA-N -1 0 347.447 3.733 20 0 EHADRM CC(C)(CCc1ccccc1)NS(=O)(=O)c1cccc(F)c1F ZINC000550631733 1033778770 /nfs/dbraw/zinc/77/87/70/1033778770.db2.gz XBFREWHKAUBJFT-UHFFFAOYSA-N -1 0 339.407 3.655 20 0 EHADRM CC(C)(C)C[C@@H]1CCCN1C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000550648883 1033803695 /nfs/dbraw/zinc/80/36/95/1033803695.db2.gz LWKOXMVFULXBSD-HNNXBMFYSA-N -1 0 345.418 3.758 20 0 EHADRM O=C(C=Cc1ccccc1F)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000046928877 1033895847 /nfs/dbraw/zinc/89/58/47/1033895847.db2.gz NCJJZYOLALCYGH-FNORWQNLSA-N -1 0 345.804 3.899 20 0 EHADRM COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1C(C)(C)C ZINC000460439086 1033903860 /nfs/dbraw/zinc/90/38/60/1033903860.db2.gz XDXCUSGNGYOEGA-UHFFFAOYSA-N -1 0 347.436 3.572 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1cc(Br)ccc1Cl ZINC000235358607 1033973071 /nfs/dbraw/zinc/97/30/71/1033973071.db2.gz ZFZDKVALHVIGLC-NXEZZACHSA-N -1 0 346.652 3.788 20 0 EHADRM COCCCOc1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000057120976 1034095509 /nfs/dbraw/zinc/09/55/09/1034095509.db2.gz GSEUVMCMJAGPED-UHFFFAOYSA-N -1 0 349.452 3.520 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c(O)c1 ZINC000119516582 1034177054 /nfs/dbraw/zinc/17/70/54/1034177054.db2.gz QPYNICSIJGIZOU-UHFFFAOYSA-N -1 0 331.315 3.520 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)cc1 ZINC000534165603 1034199158 /nfs/dbraw/zinc/19/91/58/1034199158.db2.gz DZXHNXZSBRBRKX-UHFFFAOYSA-N -1 0 344.358 3.854 20 0 EHADRM CCCCOc1ccc([N-]S(=O)(=O)c2ccccc2OC)c(C)c1 ZINC000119623521 1034208706 /nfs/dbraw/zinc/20/87/06/1034208706.db2.gz QRSRNGCNEYFWLE-UHFFFAOYSA-N -1 0 349.452 3.983 20 0 EHADRM O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccc(Cl)cc1[O-] ZINC000119704364 1034227283 /nfs/dbraw/zinc/22/72/83/1034227283.db2.gz OCRWLPRHNJTDAH-UHFFFAOYSA-N -1 0 344.798 3.534 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1C(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000326345312 1034266445 /nfs/dbraw/zinc/26/64/45/1034266445.db2.gz BTGJKKKJQKOKNW-SQWLQELKSA-N -1 0 347.411 3.594 20 0 EHADRM COC[C@@H](C)Oc1cccc(-c2ccc3c(c2)CC[C@H]3C(=O)[O-])c1 ZINC000517176463 1034270809 /nfs/dbraw/zinc/27/08/09/1034270809.db2.gz NIOPMNGTNAVLOB-BFUOFWGJSA-N -1 0 326.392 3.882 20 0 EHADRM Cc1cccc(COc2cccc(C(=O)N=c3cc(C)c(C)n[n-]3)c2)c1 ZINC000604233040 1034286554 /nfs/dbraw/zinc/28/65/54/1034286554.db2.gz JTEKHRDEASAAPD-UHFFFAOYSA-N -1 0 347.418 3.655 20 0 EHADRM Cc1cc(=NC(=O)CCCc2ccc(C(C)(C)C)cc2)[n-]nc1C ZINC000604233936 1034287928 /nfs/dbraw/zinc/28/79/28/1034287928.db2.gz HKRRMXRSQDINMG-UHFFFAOYSA-N -1 0 325.456 3.774 20 0 EHADRM COc1ccc2c(ccn2CC(=O)Nc2cccc(Cl)c2[O-])c1 ZINC000604266772 1034309765 /nfs/dbraw/zinc/30/97/65/1034309765.db2.gz UFWKOGHQDBONJQ-UHFFFAOYSA-N -1 0 330.771 3.648 20 0 EHADRM Cc1ccc(C)c([C@H](C)N(C)C(=O)c2ccc(C(=O)[O-])c(C)n2)c1 ZINC000448990180 1034410582 /nfs/dbraw/zinc/41/05/82/1034410582.db2.gz IAVBQOMYOSANLB-AWEZNQCLSA-N -1 0 326.396 3.538 20 0 EHADRM CCc1n[n-]c(=NC(=O)N[C@H](c2ccccc2Cl)C(C)C)s1 ZINC000604609889 1034436428 /nfs/dbraw/zinc/43/64/28/1034436428.db2.gz QJKCHHTXEATWHR-ZDUSSCGKSA-N -1 0 338.864 3.695 20 0 EHADRM C[C@H](C(=O)N=c1ccc(C2CC2)n[n-]1)c1c(Cl)cccc1Cl ZINC000604707971 1034462986 /nfs/dbraw/zinc/46/29/86/1034462986.db2.gz DNOVJJNEENSHSV-VIFPVBQESA-N -1 0 336.222 3.825 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000450533270 1034468793 /nfs/dbraw/zinc/46/87/93/1034468793.db2.gz SVTBJLGTZCWDIM-BGTYHANMSA-N -1 0 329.440 3.672 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)n1 ZINC000604838831 1034522550 /nfs/dbraw/zinc/52/25/50/1034522550.db2.gz CTUTUNDGHSKGQM-UHFFFAOYSA-N -1 0 336.416 3.762 20 0 EHADRM CCCCOc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000060488960 1034622601 /nfs/dbraw/zinc/62/26/01/1034622601.db2.gz FKXQLVOGVWYKHJ-UHFFFAOYSA-N -1 0 333.409 3.559 20 0 EHADRM Cc1cccc(-c2ccc(CNC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])cc2)c1 ZINC000605165079 1034642063 /nfs/dbraw/zinc/64/20/63/1034642063.db2.gz HDJMZOLXIZUMBI-VQTJNVASSA-N -1 0 349.430 3.945 20 0 EHADRM O=C(OCc1noc(-c2ccccc2O)n1)c1cccc(Cl)c1F ZINC000784166867 1034673565 /nfs/dbraw/zinc/67/35/65/1034673565.db2.gz FKNDVBGNCHHHFE-UHFFFAOYSA-N -1 0 348.717 3.592 20 0 EHADRM CC(C)(C)[C@@H]1OCCC[C@H]1CN=c1[n-]nc(-c2ccccc2)s1 ZINC000605315843 1034708311 /nfs/dbraw/zinc/70/83/11/1034708311.db2.gz SNJWVSXNKYNYOW-LSDHHAIUSA-N -1 0 331.485 3.880 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H]1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000326446590 1034714992 /nfs/dbraw/zinc/71/49/92/1034714992.db2.gz NEXGOCXLJRDVSM-GJZGRUSLSA-N -1 0 325.364 3.918 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)nnc1C ZINC000605432222 1034734036 /nfs/dbraw/zinc/73/40/36/1034734036.db2.gz KUFAONBEBNOREX-UHFFFAOYSA-N -1 0 345.468 3.942 20 0 EHADRM CCC(CC)(C(=O)N=c1cccn[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000605471226 1034751910 /nfs/dbraw/zinc/75/19/10/1034751910.db2.gz ZBQQWBVMQUKGCN-UHFFFAOYSA-N -1 0 338.238 3.902 20 0 EHADRM Cc1[nH]nc([N-]S(=O)(=O)c2cc(F)ccc2C)c1-c1ccccc1 ZINC000534683054 1034796961 /nfs/dbraw/zinc/79/69/61/1034796961.db2.gz XETXTURGBAALBM-UHFFFAOYSA-N -1 0 345.399 3.633 20 0 EHADRM CSCCc1ccccc1[N-]S(=O)(=O)c1sccc1C ZINC000601979392 1034844950 /nfs/dbraw/zinc/84/49/50/1034844950.db2.gz MTJUMKSMNGVGMD-UHFFFAOYSA-N -1 0 327.496 3.763 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)N1Cc2ccccc2-c2ccccc21 ZINC000602010182 1034857194 /nfs/dbraw/zinc/85/71/94/1034857194.db2.gz UEZZJYDISMQPGY-OLZOCXBDSA-N -1 0 341.432 3.795 20 0 EHADRM COCCc1nc(=N[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)s[n-]1 ZINC000450951209 1034973177 /nfs/dbraw/zinc/97/31/77/1034973177.db2.gz PGWBRMWDXKJNRE-GXTWGEPZSA-N -1 0 337.876 3.551 20 0 EHADRM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(Cl)cc1C(C)C ZINC000530146871 1035005924 /nfs/dbraw/zinc/00/59/24/1035005924.db2.gz TVRQYBOWRAAMQG-UHFFFAOYSA-N -1 0 327.837 3.604 20 0 EHADRM O=S(=O)([N-]c1cc(C2CCCC2)[nH]n1)c1sccc1Cl ZINC000450980952 1035011854 /nfs/dbraw/zinc/01/18/54/1035011854.db2.gz OVPXJGUKOBQESI-UHFFFAOYSA-N -1 0 331.850 3.583 20 0 EHADRM CC(C)CO[C@@H]1CCN(C(=O)c2c([O-])cc(Cl)cc2Cl)C1 ZINC000161519913 1035030567 /nfs/dbraw/zinc/03/05/67/1035030567.db2.gz ZHJILYPCBFGYLR-LLVKDONJSA-N -1 0 332.227 3.586 20 0 EHADRM C[C@H](c1ccccc1Cl)N(Cc1cnc(C(=O)[O-])cn1)C1CC1 ZINC000530161640 1035031036 /nfs/dbraw/zinc/03/10/36/1035031036.db2.gz JPIPAHMZAREWNY-LLVKDONJSA-N -1 0 331.803 3.554 20 0 EHADRM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1sccc1Cl)C(F)(F)F ZINC000451012714 1035031265 /nfs/dbraw/zinc/03/12/65/1035031265.db2.gz XIYZBPUAFJWCDE-HTRCEHHLSA-N -1 0 335.800 3.657 20 0 EHADRM C[C@]1(c2ccc(F)cc2)CCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000376023233 1035137484 /nfs/dbraw/zinc/13/74/84/1035137484.db2.gz WTWBWXSWVNZLSX-SFHVURJKSA-N -1 0 343.427 3.700 20 0 EHADRM CC(C)(C)c1ccc(C2(NC(=O)c3cc(=O)[nH][n-]3)CCCC2)cc1 ZINC000612910321 1035296887 /nfs/dbraw/zinc/29/68/87/1035296887.db2.gz WOFRMKIQASBJLN-UHFFFAOYSA-N -1 0 327.428 3.612 20 0 EHADRM CCCCS(=O)(=O)[N-]C(=O)[C@@H](Sc1ccccc1)C(C)C ZINC000066229931 1035301585 /nfs/dbraw/zinc/30/15/85/1035301585.db2.gz QODCYENFUKNMEZ-AWEZNQCLSA-N -1 0 329.487 3.890 20 0 EHADRM CC(C)c1ccc([C@@H]2CCCCN2C(=O)c2cc(=O)n(C)[n-]2)cc1 ZINC000613139463 1035420192 /nfs/dbraw/zinc/42/01/92/1035420192.db2.gz POMBZSABDQWUHC-KRWDZBQOSA-N -1 0 327.428 3.617 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)N2CCCC[C@H]2CCC(=O)[O-])c1C(C)C ZINC000431776727 1035473733 /nfs/dbraw/zinc/47/37/33/1035473733.db2.gz SSQOZWVZSPLHKY-AWEZNQCLSA-N -1 0 348.443 3.509 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cccc3c2CN(C(C)C)C3)c1F ZINC000185922958 1035540671 /nfs/dbraw/zinc/54/06/71/1035540671.db2.gz PVOHBTHXXFGYQX-UHFFFAOYSA-N -1 0 348.443 3.659 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cc(F)cc2cccnc21)C1CCCCC1 ZINC000431795493 1035540682 /nfs/dbraw/zinc/54/06/82/1035540682.db2.gz POQLZJHVFQXBCL-MRXNPFEDSA-N -1 0 344.386 3.527 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)[C@@H]1CCCc2sccc21)C1CCCCC1 ZINC000431801637 1035595795 /nfs/dbraw/zinc/59/57/95/1035595795.db2.gz SHRVEGMCVQKSFS-HUUCEWRRSA-N -1 0 335.469 3.708 20 0 EHADRM Cc1cccn2c(CN=c3[n-]nc(C[C@@H](C)CC(C)(C)C)o3)cnc12 ZINC000540792509 1035687255 /nfs/dbraw/zinc/68/72/55/1035687255.db2.gz MDZMLWSWQFQNHB-CYBMUJFWSA-N -1 0 341.459 3.675 20 0 EHADRM CC[C@H](C)[C@@H]1CCCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000540928054 1035817495 /nfs/dbraw/zinc/81/74/95/1035817495.db2.gz GMDHWLDBZKKWQL-BBRMVZONSA-N -1 0 345.418 3.758 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c2ncccc12 ZINC000463783695 1035849469 /nfs/dbraw/zinc/84/94/69/1035849469.db2.gz CFLLDEPKSGJGSQ-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM CCC(=O)CSc1n[n-]c(=Nc2cccc(Cl)c2C)s1 ZINC000589038351 1035855394 /nfs/dbraw/zinc/85/53/94/1035855394.db2.gz MZFKZIUWDOQWNW-UHFFFAOYSA-N -1 0 327.862 3.737 20 0 EHADRM CC(C)n1cc([C@@H](C)NC(=O)c2c([O-])cc(Cl)cc2Cl)cn1 ZINC000535006182 1035896411 /nfs/dbraw/zinc/89/64/11/1035896411.db2.gz RUOONNQDHWOIED-SECBINFHSA-N -1 0 342.226 3.967 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)Nc3cc(Cl)ccc3C)cc2=O)cc1 ZINC000174393678 1035925766 /nfs/dbraw/zinc/92/57/66/1035925766.db2.gz ULHKPYJZZFKYCT-UHFFFAOYSA-N -1 0 341.798 3.688 20 0 EHADRM CCC[C@]1(C(=O)[O-])CCCN1C(=O)Nc1cc(OC)ccc1Cl ZINC000324053537 1035982177 /nfs/dbraw/zinc/98/21/77/1035982177.db2.gz HBRBSYUFHUZHMB-MRXNPFEDSA-N -1 0 340.807 3.600 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc3ccccc3n2)ccc1Cl ZINC000319675655 1036016914 /nfs/dbraw/zinc/01/69/14/1036016914.db2.gz UVTXQMLMMSEDQE-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM C/C(=C/c1ccccc1)CN(C)Cc1c([O-])nnn1-c1ccccc1 ZINC000492580255 1036025312 /nfs/dbraw/zinc/02/53/12/1036025312.db2.gz DCZVLUFEMJKDRL-SSZFMOIBSA-N -1 0 334.423 3.508 20 0 EHADRM CC(C)(NC(=O)CC1CCC(C(=O)[O-])CC1)c1ccc(F)c(F)c1 ZINC000572246298 1036055799 /nfs/dbraw/zinc/05/57/99/1036055799.db2.gz XFZCOQYVGNXXNP-UHFFFAOYSA-N -1 0 339.382 3.597 20 0 EHADRM C[C@H](CC(F)(F)F)C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000457564701 1036262063 /nfs/dbraw/zinc/26/20/63/1036262063.db2.gz SZSRGYHUGIEMNJ-SSDOTTSWSA-N -1 0 349.765 3.807 20 0 EHADRM O=C(/C=C\c1ccc2c(c1)CCO2)Nc1cc(Cl)c([O-])cc1F ZINC000492805421 1036300365 /nfs/dbraw/zinc/30/03/65/1036300365.db2.gz YXJPDWPTBZAXOG-RQOWECAXSA-N -1 0 333.746 3.772 20 0 EHADRM Cc1cc2cc(C(=O)N=c3ncn(C4CCCCC4)[n-]3)oc2cc1C ZINC000541443414 1036314984 /nfs/dbraw/zinc/31/49/84/1036314984.db2.gz UTIUKEXYKCTRQC-UHFFFAOYSA-N -1 0 338.411 3.821 20 0 EHADRM CC(C)C[C@@H](C)n1nccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000589271424 1036333701 /nfs/dbraw/zinc/33/37/01/1036333701.db2.gz QCFNBKOPPYGMMK-GFCCVEGCSA-N -1 0 341.864 3.944 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000321884307 1036443075 /nfs/dbraw/zinc/44/30/75/1036443075.db2.gz NLOSUCUKWYWDNW-UHFFFAOYSA-N -1 0 329.783 3.545 20 0 EHADRM CCCn1ncc([N-]S(=O)(=O)c2sccc2Cl)c1C1CC1 ZINC000572829657 1036513067 /nfs/dbraw/zinc/51/30/67/1036513067.db2.gz IHZGNNXHALPKFV-UHFFFAOYSA-N -1 0 345.877 3.686 20 0 EHADRM COc1cc(/C=C/C(=O)Nc2cccc(CCC(=O)[O-])c2)ccc1F ZINC000493041492 1036562831 /nfs/dbraw/zinc/56/28/31/1036562831.db2.gz YWUFKHLHLWQTQA-RMKNXTFCSA-N -1 0 343.354 3.503 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NCc2ccc(Cl)c(Cl)c2)C1 ZINC000659198781 1036628701 /nfs/dbraw/zinc/62/87/01/1036628701.db2.gz NKGRDOKVTLIKFX-WDEREUQCSA-N -1 0 330.211 3.501 20 0 EHADRM Fc1cccc(N=c2[n-]nc(SCC[C@H]3CCCCO3)s2)c1 ZINC000541781141 1036633374 /nfs/dbraw/zinc/63/33/74/1036633374.db2.gz NHGKYWMXJYTXRK-CYBMUJFWSA-N -1 0 339.461 3.894 20 0 EHADRM CCN(C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1)C1CCC1 ZINC000541797644 1036654395 /nfs/dbraw/zinc/65/43/95/1036654395.db2.gz WVEQHSXXWJCEKR-UHFFFAOYSA-N -1 0 336.848 3.687 20 0 EHADRM Cc1cc(OCC(=O)N=c2nc(C(C)(C)C)[n-]s2)ccc1C(C)C ZINC000589938004 1036662162 /nfs/dbraw/zinc/66/21/62/1036662162.db2.gz FJEGKSYHFFLEND-UHFFFAOYSA-N -1 0 347.484 3.707 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)s[n-]1 ZINC000589937801 1036665169 /nfs/dbraw/zinc/66/51/69/1036665169.db2.gz XUKDJSOHKBSLOF-NEPJUHHUSA-N -1 0 335.860 3.653 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)C2(c3cccc(F)c3)CCCC2)s[n-]1 ZINC000589935891 1036667534 /nfs/dbraw/zinc/66/75/34/1036667534.db2.gz GPDCMHXELXBYKY-UHFFFAOYSA-N -1 0 347.459 3.847 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2n[nH]cc2SC)cc1 ZINC000541833032 1036686510 /nfs/dbraw/zinc/68/65/10/1036686510.db2.gz WXOYJDDJZWYERP-UHFFFAOYSA-N -1 0 339.486 3.620 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cccc(Nc2ccccc2)c1 ZINC000263269942 1036742926 /nfs/dbraw/zinc/74/29/26/1036742926.db2.gz VVPWAWYMRHXFHX-GOEBONIOSA-N -1 0 338.407 3.756 20 0 EHADRM CC(C)[C@@H]1CC[C@H](NC(=O)C(=O)[O-])[C@H](Cc2ccc(Cl)cc2)C1 ZINC000462274552 1036757900 /nfs/dbraw/zinc/75/79/00/1036757900.db2.gz DVTIFHYXGJZVKF-FMKPAKJESA-N -1 0 337.847 3.524 20 0 EHADRM CSCc1cccc([N-]S(=O)(=O)c2cccc(C)c2F)c1 ZINC000541909294 1036796964 /nfs/dbraw/zinc/79/69/64/1036796964.db2.gz XWZXMPPARNFCNR-UHFFFAOYSA-N -1 0 325.430 3.798 20 0 EHADRM CCn1cc(S(=O)(=O)[N-]c2c(C)cc(Cl)c3ccccc32)cn1 ZINC000462352034 1036858967 /nfs/dbraw/zinc/85/89/67/1036858967.db2.gz KKQDPGINAOYHRX-UHFFFAOYSA-N -1 0 349.843 3.819 20 0 EHADRM Cc1ccc(O)c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)c1 ZINC000464832113 1036866448 /nfs/dbraw/zinc/86/64/48/1036866448.db2.gz BPSAKCOPRGCIAQ-UHFFFAOYSA-N -1 0 345.342 3.829 20 0 EHADRM C[C@@H](NC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1)[C@@H](C)C(=O)[O-] ZINC000263412843 1036879607 /nfs/dbraw/zinc/87/96/07/1036879607.db2.gz HILVCHLVXFIDDH-NXEZZACHSA-N -1 0 344.238 3.641 20 0 EHADRM CCC(CC)c1cc(C(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])on1 ZINC000539568430 1036927503 /nfs/dbraw/zinc/92/75/03/1036927503.db2.gz SGKWEZDKHQNBKF-UONOGXRCSA-N -1 0 336.432 3.732 20 0 EHADRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)c1cccc(-c2ccoc2)c1 ZINC000263448324 1036929842 /nfs/dbraw/zinc/92/98/42/1036929842.db2.gz NQENAPKXGZMIPU-SJORKVTESA-N -1 0 327.380 3.710 20 0 EHADRM CN(C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1)[C@@H]1CCC(C)(C)C1 ZINC000263490495 1036989478 /nfs/dbraw/zinc/98/94/78/1036989478.db2.gz QZUOYOHBRIQALN-IAGOWNOFSA-N -1 0 346.471 3.683 20 0 EHADRM C[C@H]1C[C@@H](CCN=c2[n-]nc(-c3ccccc3Cl)s2)CCO1 ZINC000546887850 1037084006 /nfs/dbraw/zinc/08/40/06/1037084006.db2.gz YPKHHQRXRMLEFJ-RYUDHWBXSA-N -1 0 337.876 3.898 20 0 EHADRM O=C(C=C(C1CC1)C1CC1)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000054429196 1037085448 /nfs/dbraw/zinc/08/54/48/1037085448.db2.gz VETURTMDAASJAX-UHFFFAOYSA-N -1 0 331.437 3.567 20 0 EHADRM CN(CC(C)(C)C)C(=O)N(CCCC(=O)[O-])Cc1cccc(F)c1 ZINC000669838364 1037085827 /nfs/dbraw/zinc/08/58/27/1037085827.db2.gz JKZZNXLSTGXNJG-UHFFFAOYSA-N -1 0 338.423 3.590 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)NNC(=O)c1cccc(Cl)c1 ZINC000008210615 1037136752 /nfs/dbraw/zinc/13/67/52/1037136752.db2.gz NMGMVOHYSCHCBQ-UHFFFAOYSA-N -1 0 346.745 3.609 20 0 EHADRM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)CC2(C(=O)[O-])CCC2)cc1 ZINC000263572238 1037166437 /nfs/dbraw/zinc/16/64/37/1037166437.db2.gz KQYWPOCSIMTGHR-SJORKVTESA-N -1 0 329.440 3.735 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2cc(C)n([C@@H](C)C3CC3)n2)cc1 ZINC000542235417 1037187372 /nfs/dbraw/zinc/18/73/72/1037187372.db2.gz JFBQUJIPJMIFJQ-AWEZNQCLSA-N -1 0 347.484 3.916 20 0 EHADRM C[C@@H](NC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1)C1CCCC1 ZINC000666530706 1037190570 /nfs/dbraw/zinc/19/05/70/1037190570.db2.gz WPAFRMUSWKCSPA-CQSZACIVSA-N -1 0 344.455 3.853 20 0 EHADRM CC1(C)CC(CNC(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)C1 ZINC000666543326 1037201855 /nfs/dbraw/zinc/20/18/55/1037201855.db2.gz VOOPQLFKSZIMPO-UHFFFAOYSA-N -1 0 344.455 3.710 20 0 EHADRM O=C([O-])CCCCNC(=O)N1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000666557521 1037209209 /nfs/dbraw/zinc/20/92/09/1037209209.db2.gz MNBNUMRZSNIILL-GOSISDBHSA-N -1 0 344.455 3.958 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)C=CC1CCCCC1 ZINC000493317972 1037252310 /nfs/dbraw/zinc/25/23/10/1037252310.db2.gz HFIKUBBPDSIWPI-CSKARUKUSA-N -1 0 326.400 3.561 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)c1cc(C)c(-c2ccc(F)cc2)s1 ZINC000089288157 1037257213 /nfs/dbraw/zinc/25/72/13/1037257213.db2.gz ICPJIRMRRJXJEB-UHFFFAOYSA-N -1 0 339.413 3.683 20 0 EHADRM O=C(c1ccc(Cl)cc1[O-])N1C[C@@H]2CCCN2c2ccccc21 ZINC000539843247 1037270604 /nfs/dbraw/zinc/27/06/04/1037270604.db2.gz ULWHUKSAAJEZRL-ZDUSSCGKSA-N -1 0 328.799 3.675 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cc(C)c(C)s2)cc1SC ZINC000414390460 1037275821 /nfs/dbraw/zinc/27/58/21/1037275821.db2.gz XNRRBSTTXKGTIF-UHFFFAOYSA-N -1 0 343.495 3.896 20 0 EHADRM CC(C)[C@H](CNC(=O)c1cc(F)c([O-])c(F)c1)Nc1ccccc1 ZINC000177010293 1037322770 /nfs/dbraw/zinc/32/27/70/1037322770.db2.gz UDSWGFXQGZSFNH-INIZCTEOSA-N -1 0 334.366 3.537 20 0 EHADRM CC(C)Cc1ccc(S(=O)(=O)Nc2cc(O)c(F)cc2F)cc1 ZINC000414396485 1037326465 /nfs/dbraw/zinc/32/64/65/1037326465.db2.gz PDWFNPRVWWZNEF-UHFFFAOYSA-N -1 0 341.379 3.670 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000659141534 1037361526 /nfs/dbraw/zinc/36/15/26/1037361526.db2.gz IPGLZUVEWBOVSA-UGSOOPFHSA-N -1 0 345.826 3.841 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)c2cccc(C(C)C)c2)sc1C(=O)[O-] ZINC000659143396 1037366195 /nfs/dbraw/zinc/36/61/95/1037366195.db2.gz PMRXQHNMOHCPKQ-LLVKDONJSA-N -1 0 332.425 3.764 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@@H](c1cccc(C)c1)C(F)(F)F ZINC000659147259 1037368553 /nfs/dbraw/zinc/36/85/53/1037368553.db2.gz KCNZHWFPKYLACF-ZDUSSCGKSA-N -1 0 341.285 3.628 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)c1ccc(C2CC2)cc1)c1cccc(F)c1 ZINC000659150396 1037374566 /nfs/dbraw/zinc/37/45/66/1037374566.db2.gz BWJKCWTWETVSFV-HXUWFJFHSA-N -1 0 341.382 3.823 20 0 EHADRM O=C(Nc1nc(-c2ccccn2)cs1)c1cc(Cl)ccc1[O-] ZINC000006969756 1037376536 /nfs/dbraw/zinc/37/65/36/1037376536.db2.gz OAHNCOOHYSMATR-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)C[C@@]12CCCC[C@@H]1C2(F)F ZINC000659154621 1037385303 /nfs/dbraw/zinc/38/53/03/1037385303.db2.gz TZYCXUOYNWUQAN-BBRMVZONSA-N -1 0 339.338 3.548 20 0 EHADRM Cc1cccc(C)c1[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])c(C)n1 ZINC000659165735 1037398851 /nfs/dbraw/zinc/39/88/51/1037398851.db2.gz DDWDEVKANDDVCD-KRWDZBQOSA-N -1 0 338.407 3.682 20 0 EHADRM O=C([O-])C12CC(C1)CN2C(=O)c1cc2sc3ccccc3c2s1 ZINC000659176686 1037427008 /nfs/dbraw/zinc/42/70/08/1037427008.db2.gz JSVJGTBCSHYCMJ-UHFFFAOYSA-N -1 0 343.429 3.805 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2ccc3c(c2)CCC=C3)n1 ZINC000659182072 1037430276 /nfs/dbraw/zinc/43/02/76/1037430276.db2.gz GVXJTUIUUDMNJU-INIZCTEOSA-N -1 0 339.395 3.521 20 0 EHADRM O=C([O-])c1ccc2c(c1)[C@@H](CNC(=O)c1ccoc1C1CC1)CCC2 ZINC000659182906 1037433633 /nfs/dbraw/zinc/43/36/33/1037433633.db2.gz SYEWNGQAVRLEIU-OAHLLOKOSA-N -1 0 339.391 3.705 20 0 EHADRM Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)cc(C)c1F ZINC000659189515 1037442616 /nfs/dbraw/zinc/44/26/16/1037442616.db2.gz GPBANBOVRQDWJN-HRCADAONSA-N -1 0 333.403 3.548 20 0 EHADRM CCC[C@H](C(=O)Nc1ccn([C@@H](CCC)C(=O)[O-])n1)c1ccccc1 ZINC000659186676 1037449584 /nfs/dbraw/zinc/44/95/84/1037449584.db2.gz ZUJHYKZHQKBBIW-HOTGVXAUSA-N -1 0 343.427 3.831 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc3c(c2)CCCC3)[C@H]2CCCC[C@H]12 ZINC000659192757 1037459962 /nfs/dbraw/zinc/45/99/62/1037459962.db2.gz GYXYGIGRIHCGGR-QRVBRYPASA-N -1 0 341.451 3.671 20 0 EHADRM C[C@H](CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21)c1ccccc1 ZINC000659191343 1037460224 /nfs/dbraw/zinc/46/02/24/1037460224.db2.gz CIPZFZFLMZOKAP-BGTYHANMSA-N -1 0 329.440 3.672 20 0 EHADRM O=C([O-])C[C@H](CNC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)C1CC1 ZINC000659209972 1037480791 /nfs/dbraw/zinc/48/07/91/1037480791.db2.gz PWRSDXDEGVEYTE-QYZOEREBSA-N -1 0 337.419 3.560 20 0 EHADRM CC(C)[C@H](C(=O)NC[C@H](CC(=O)[O-])C1CC1)c1cccc(Cl)c1 ZINC000659211329 1037483502 /nfs/dbraw/zinc/48/35/02/1037483502.db2.gz XLYPQQSGGKWCIH-YOEHRIQHSA-N -1 0 337.847 3.697 20 0 EHADRM CC(C)Cc1nc(=NC(=O)c2cc(Cl)c(F)cc2Cl)s[n-]1 ZINC000618350061 1037496514 /nfs/dbraw/zinc/49/65/14/1037496514.db2.gz NZYKIOPINVVALJ-UHFFFAOYSA-N -1 0 348.230 3.857 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000659226156 1037520307 /nfs/dbraw/zinc/52/03/07/1037520307.db2.gz WCHOVNLKGTTXJX-BXKDBHETSA-N -1 0 347.308 3.509 20 0 EHADRM CN(C(=O)c1ccc(-c2ccccc2Cl)o1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659229357 1037539960 /nfs/dbraw/zinc/53/99/60/1037539960.db2.gz VIDSHNSMQIZLHY-PHIMTYICSA-N -1 0 333.771 3.535 20 0 EHADRM Cc1ccc(C)c(OCCCCC(=O)N[C@@H]2CCC[C@]2(C)C(=O)[O-])c1 ZINC000659234215 1037545129 /nfs/dbraw/zinc/54/51/29/1037545129.db2.gz FPOPAGVKTPHGGX-XLIONFOSSA-N -1 0 347.455 3.612 20 0 EHADRM Fc1ccc(Cc2noc(=NCc3cccc(Cl)c3F)[n-]2)cc1 ZINC000462935362 1037567331 /nfs/dbraw/zinc/56/73/31/1037567331.db2.gz IQFQEAQMEHNJMP-UHFFFAOYSA-N -1 0 335.741 3.626 20 0 EHADRM CC(C)[C@H](Sc1ccccc1)C(=O)N[C@@H]1CCC[C@]1(C)C(=O)[O-] ZINC000659238050 1037567019 /nfs/dbraw/zinc/56/70/19/1037567019.db2.gz MEDCBKVRXNFZLM-VKJFTORMSA-N -1 0 335.469 3.563 20 0 EHADRM CC(C)c1ccc(-c2noc(CN3CC[C@@H](C)C[C@@H]3C(=O)[O-])n2)cc1 ZINC000573499391 1037590524 /nfs/dbraw/zinc/59/05/24/1037590524.db2.gz JJOXBPNNTQKDCN-CZUORRHYSA-N -1 0 343.427 3.545 20 0 EHADRM O=C([O-])CC1(NC(=O)c2ccc(SCc3ccccc3)cc2)CC1 ZINC000573731684 1037738260 /nfs/dbraw/zinc/73/82/60/1037738260.db2.gz HKHYZJBEPRPHQT-UHFFFAOYSA-N -1 0 341.432 3.716 20 0 EHADRM Cc1cccc(CC(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)c1Cl ZINC000669434334 1037809484 /nfs/dbraw/zinc/80/94/84/1037809484.db2.gz PHPQRZNTOKJIFN-HNNXBMFYSA-N -1 0 343.810 3.796 20 0 EHADRM CC(C)[C@@H](NC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000646141747 1037918761 /nfs/dbraw/zinc/91/87/61/1037918761.db2.gz MZYXROCABACEJP-NWANDNLSSA-N -1 0 338.835 3.590 20 0 EHADRM Cc1ccc(F)cc1-c1noc(C(=O)[N-]c2c(F)cccc2F)n1 ZINC001212171262 1037924359 /nfs/dbraw/zinc/92/43/59/1037924359.db2.gz SHMCBLSLZAZQHU-UHFFFAOYSA-N -1 0 333.269 3.715 20 0 EHADRM COc1ccc(C(=O)/C=C/c2cccc(OCCC(=O)[O-])c2)cc1F ZINC000058464758 1037939153 /nfs/dbraw/zinc/93/91/53/1037939153.db2.gz WCWIUTIHRWTGRA-FNORWQNLSA-N -1 0 344.338 3.584 20 0 EHADRM c1c2ccccc2oc1CSc1n[n-]c(=NC[C@H]2CCCO2)s1 ZINC000532620905 1037942201 /nfs/dbraw/zinc/94/22/01/1037942201.db2.gz BZPUXMZQIYFKPU-GFCCVEGCSA-N -1 0 347.465 3.589 20 0 EHADRM CCC[C@@H](C)NC(=O)N=c1[n-]nc([C@@H](CC)c2ccccc2)s1 ZINC000592472370 1037978345 /nfs/dbraw/zinc/97/83/45/1037978345.db2.gz KJELPYDBWJNYIT-OCCSQVGLSA-N -1 0 332.473 3.812 20 0 EHADRM O=S(=O)([N-]c1ccccc1)c1c(Cl)cccc1Br ZINC000304263600 1038023974 /nfs/dbraw/zinc/02/39/74/1038023974.db2.gz JNDRSSICJBBMFB-UHFFFAOYSA-N -1 0 346.633 3.903 20 0 EHADRM C[C@H]1CCC[C@@H]1NC(=O)N=c1[n-]nc(C(C)(C)c2ccccc2)s1 ZINC000592529971 1038029661 /nfs/dbraw/zinc/02/96/61/1038029661.db2.gz MWNOKGCVDHCZQN-JSGCOSHPSA-N -1 0 344.484 3.596 20 0 EHADRM Cc1cc(F)cc(-c2noc(C(=O)[N-]c3c(F)cccc3F)n2)c1 ZINC001212171655 1038054616 /nfs/dbraw/zinc/05/46/16/1038054616.db2.gz YPMSWUVETCBOEU-UHFFFAOYSA-N -1 0 333.269 3.715 20 0 EHADRM CC[C@@H](C)Oc1ccc(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)cc1 ZINC000659146377 1038191131 /nfs/dbraw/zinc/19/11/31/1038191131.db2.gz RXEMNDSKHZQSLZ-CYBMUJFWSA-N -1 0 331.412 3.838 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)NCC2(CC(=O)[O-])CCCCC2)cc1 ZINC000538576745 1038400097 /nfs/dbraw/zinc/40/00/97/1038400097.db2.gz BNNCPSTVVKWRBN-HNNXBMFYSA-N -1 0 347.455 3.730 20 0 EHADRM C[C@@H](c1ccc2ccccc2c1)N(C(=O)c1cc(=O)n(C)[n-]1)C1CC1 ZINC000667122090 1038454870 /nfs/dbraw/zinc/45/48/70/1038454870.db2.gz UEFKTPNMNWBZGM-ZDUSSCGKSA-N -1 0 335.407 3.645 20 0 EHADRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)C[C@H](C)c1ccc(C(C)C)cc1 ZINC000181960305 1038517029 /nfs/dbraw/zinc/51/70/29/1038517029.db2.gz JZVBIUSQZUSPKM-UONOGXRCSA-N -1 0 325.474 3.548 20 0 EHADRM Cc1ccc2[nH]c(C(=O)NCC3(C(=O)[O-])CCCCC3)cc2c1C ZINC000431863984 1038540173 /nfs/dbraw/zinc/54/01/73/1038540173.db2.gz HVBBODBMZCMAMM-UHFFFAOYSA-N -1 0 328.412 3.550 20 0 EHADRM CC[C@@H]1CC[C@H](C(=O)Nc2c(O)cc(Br)cc2Cl)O1 ZINC000552026181 1038605225 /nfs/dbraw/zinc/60/52/25/1038605225.db2.gz AAUZANBSLDWPLG-LDYMZIIASA-N -1 0 348.624 3.704 20 0 EHADRM CCCc1nc(=NC[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)s[n-]1 ZINC000461938588 1038687243 /nfs/dbraw/zinc/68/72/43/1038687243.db2.gz YZPFEIXTCGFZRZ-DOTOQJQBSA-N -1 0 331.485 3.801 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(COc3ccccc3)cc2)o1 ZINC000539116682 1038694681 /nfs/dbraw/zinc/69/46/81/1038694681.db2.gz DRSAQPJYRYLEDU-UHFFFAOYSA-N -1 0 343.404 3.968 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000431886070 1038758971 /nfs/dbraw/zinc/75/89/71/1038758971.db2.gz WXYUQDKVIIUMRN-CYBMUJFWSA-N -1 0 337.847 3.670 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000910245224 1038784561 /nfs/dbraw/zinc/78/45/61/1038784561.db2.gz ZDRYRVYGHNCWOH-CWRNSKLLSA-N -1 0 335.831 3.547 20 0 EHADRM CCCOc1cccc(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC000236874336 1038784949 /nfs/dbraw/zinc/78/49/49/1038784949.db2.gz MBFFQDGGJGLAKQ-DHZHZOJOSA-N -1 0 325.364 3.826 20 0 EHADRM CC(C)c1scnc1C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000910299322 1038815642 /nfs/dbraw/zinc/81/56/42/1038815642.db2.gz RGRZLTBPFROCGW-QWHCGFSZSA-N -1 0 330.409 3.707 20 0 EHADRM COc1ccc(O)c(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)c1 ZINC000539367883 1038831800 /nfs/dbraw/zinc/83/18/00/1038831800.db2.gz ZWGOASSSAAYZGH-UHFFFAOYSA-N -1 0 348.207 3.508 20 0 EHADRM O=C(Cc1ccc(O)cc1Cl)Nc1cc(Cl)c([O-])cc1F ZINC000554033078 1038837185 /nfs/dbraw/zinc/83/71/85/1038837185.db2.gz HOOFEKPWUCIOIR-UHFFFAOYSA-N -1 0 330.142 3.725 20 0 EHADRM Cc1cc(C)cc([C@@H](NCc2noc(C3CCCCC3)n2)C(=O)[O-])c1 ZINC000905391292 1038850043 /nfs/dbraw/zinc/85/00/43/1038850043.db2.gz MRZYAIHVCJEETH-QGZVFWFLSA-N -1 0 343.427 3.650 20 0 EHADRM Cc1nc(CN[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)sc1C ZINC000905402865 1038860123 /nfs/dbraw/zinc/86/01/23/1038860123.db2.gz JLSMJESKYMJYKK-CYBMUJFWSA-N -1 0 344.358 3.694 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N[C@H](C)Cc2cccs2)s1 ZINC000479921659 1038877651 /nfs/dbraw/zinc/87/76/51/1038877651.db2.gz AELVOFVVAVEWEK-LLVKDONJSA-N -1 0 338.502 3.507 20 0 EHADRM [O-]c1cnc(Cl)cc1-c1nc(-c2ncccc2C(F)(F)F)no1 ZINC001213942196 1038910674 /nfs/dbraw/zinc/91/06/74/1038910674.db2.gz LDJWACCACDNWET-UHFFFAOYSA-N -1 0 342.664 3.571 20 0 EHADRM C[C@@H]1CCC[C@H](C)CN1C(=O)N=c1[n-]nc(-c2ccccc2)s1 ZINC000479944624 1038922332 /nfs/dbraw/zinc/92/23/32/1038922332.db2.gz BTMKZGMSPOBFJN-QWHCGFSZSA-N -1 0 330.457 3.669 20 0 EHADRM COc1ccc(SCC(=O)Nc2ccc3[n-]c(=S)oc3c2)cc1 ZINC000163595527 1038940568 /nfs/dbraw/zinc/94/05/68/1038940568.db2.gz PLEMPWBCWLCKFL-UHFFFAOYSA-N -1 0 346.433 3.856 20 0 EHADRM CSc1cc(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])c(C)o1 ZINC000910504709 1038952884 /nfs/dbraw/zinc/95/28/84/1038952884.db2.gz TVUNRDLUTLHKLN-UHFFFAOYSA-N -1 0 327.446 3.519 20 0 EHADRM CCCCN(C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)[C@@H](C)c1ccccc1 ZINC000910536565 1038957955 /nfs/dbraw/zinc/95/79/55/1038957955.db2.gz UDOUXCMAHBEPSQ-RYQLBKOJSA-N -1 0 347.455 3.646 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)C(C)(C)N1C(=O)c1ccoc1CC(=O)[O-] ZINC000910536377 1038958363 /nfs/dbraw/zinc/95/83/63/1038958363.db2.gz PXPIGJGQKCRJOV-CZUORRHYSA-N -1 0 341.407 3.704 20 0 EHADRM CC(C)(CNC(=O)N=c1[n-]nc(C(F)(F)F)s1)C1=CCCCC1 ZINC000479970088 1038965091 /nfs/dbraw/zinc/96/50/91/1038965091.db2.gz YMMRGZJPBUYIJK-UHFFFAOYSA-N -1 0 348.394 3.627 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C1CCC(C(F)(F)F)CC1)C1CCCC1 ZINC000910568000 1038967129 /nfs/dbraw/zinc/96/71/29/1038967129.db2.gz OZMLAHCOTKKXRK-BPCQOVAHSA-N -1 0 335.366 3.505 20 0 EHADRM COc1ccc(CNc2cccc(C(=O)[O-])c2OC(C)C)c(OC)c1 ZINC000485378662 1038967465 /nfs/dbraw/zinc/96/74/65/1038967465.db2.gz FPCWXVVEEKQMSL-UHFFFAOYSA-N -1 0 345.395 3.801 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)NC[C@@H]1CCC(F)(F)C1)C1CCCCC1 ZINC000485365177 1038970187 /nfs/dbraw/zinc/97/01/87/1038970187.db2.gz JSKQQGKDYHMKON-MLGOLLRUSA-N -1 0 331.403 3.599 20 0 EHADRM CC(C)CCC[C@H](NC(=O)c1ccc(Cl)c(N)c1Cl)C(=O)[O-] ZINC000910576699 1038970862 /nfs/dbraw/zinc/97/08/62/1038970862.db2.gz WIEUWBCFPXMFBE-NSHDSACASA-N -1 0 347.242 3.585 20 0 EHADRM CC(C)(C)c1cccc(C(=O)Nc2nc(CCC(=O)[O-])cs2)c1 ZINC000910646064 1038997379 /nfs/dbraw/zinc/99/73/79/1038997379.db2.gz NHXIKSBJLDQVNF-UHFFFAOYSA-N -1 0 332.425 3.710 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)c2oc(C(=O)[O-])cc2C)c1C1CC1 ZINC000910649474 1039003009 /nfs/dbraw/zinc/00/30/09/1039003009.db2.gz YMIHDJDKSJYYQB-JTQLQIEISA-N -1 0 331.372 3.583 20 0 EHADRM CCc1c(NC(=O)c2cc(C)c(C(=O)[O-])o2)cnn1C(CC)CC ZINC000910655917 1039006046 /nfs/dbraw/zinc/00/60/46/1039006046.db2.gz HROKFAKWGPQUAO-UHFFFAOYSA-N -1 0 333.388 3.659 20 0 EHADRM Cc1cc(C)c(C(=O)Nc2nc3c(s2)CC[C@H](C(=O)[O-])C3)c(C)c1 ZINC000910681438 1039021142 /nfs/dbraw/zinc/02/11/42/1039021142.db2.gz YUCHWIRZKXKMSI-LBPRGKRZSA-N -1 0 344.436 3.510 20 0 EHADRM CC(C)c1sc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)nc1C(=O)[O-] ZINC000910696138 1039025129 /nfs/dbraw/zinc/02/51/29/1039025129.db2.gz CJSGOBFFUDNJGK-NWDGAFQWSA-N -1 0 348.399 3.846 20 0 EHADRM CC(C)c1sc(NC(=O)[C@@H](C)c2cccc(F)c2)nc1C(=O)[O-] ZINC000910699016 1039026059 /nfs/dbraw/zinc/02/60/59/1039026059.db2.gz LNXCPGDIAKBKKW-VIFPVBQESA-N -1 0 336.388 3.846 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)cc1C ZINC000485396257 1039026658 /nfs/dbraw/zinc/02/66/58/1039026658.db2.gz UKFAWHMZVYXJTA-GFCCVEGCSA-N -1 0 339.436 3.719 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)C=C2CCC(C)CC2)nc1C(=O)[O-] ZINC000910731063 1039039133 /nfs/dbraw/zinc/03/91/33/1039039133.db2.gz MQSVHDXBKAOQDY-SBXXRYSUSA-N -1 0 348.468 3.950 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910733753 1039040970 /nfs/dbraw/zinc/04/09/70/1039040970.db2.gz RILJNSGITZGQKM-SECBINFHSA-N -1 0 348.399 3.675 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)[C@@H](C)C2CCCC2)nc1C(=O)[O-] ZINC000910717971 1039054231 /nfs/dbraw/zinc/05/42/31/1039054231.db2.gz JSYGYYPJELOUAP-GWCFXTLKSA-N -1 0 336.457 3.640 20 0 EHADRM FC(F)(F)c1ccc(CN=c2[n-]nc(-c3ccccn3)s2)s1 ZINC000432757478 1039060940 /nfs/dbraw/zinc/06/09/40/1039060940.db2.gz MGPISEBPAKGZAU-UHFFFAOYSA-N -1 0 342.371 3.714 20 0 EHADRM C[C@H](Nc1ccc2cnn(CC(=O)[O-])c2c1)[C@@H]1C[C@H]1c1cccs1 ZINC000905752455 1039088134 /nfs/dbraw/zinc/08/81/34/1039088134.db2.gz RCLJCVYGMYYPJM-TUKIKUTGSA-N -1 0 341.436 3.787 20 0 EHADRM C[C@@H](NC(=S)NNc1ccc(Cl)c(C(=O)[O-])c1)c1ccccc1 ZINC000044051862 1039088710 /nfs/dbraw/zinc/08/87/10/1039088710.db2.gz ZPLHPOBCCQVDFW-SNVBAGLBSA-N -1 0 349.843 3.590 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)NC2CC(CC(=O)[O-])C2)cc1 ZINC000910812005 1039089610 /nfs/dbraw/zinc/08/96/10/1039089610.db2.gz BYCFLJRFPCPEIG-UHFFFAOYSA-N -1 0 329.421 3.707 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)NCC(C)(C)CC(=O)[O-] ZINC000910833277 1039103876 /nfs/dbraw/zinc/10/38/76/1039103876.db2.gz PYJPRAMTOAFFDX-UHFFFAOYSA-N -1 0 329.849 3.683 20 0 EHADRM Cc1cccc([C@H]([N-]S(=O)(=O)c2ccccc2)C(F)(F)F)c1 ZINC000512431542 1039106760 /nfs/dbraw/zinc/10/67/60/1039106760.db2.gz FTVQVYFQMKXMRD-AWEZNQCLSA-N -1 0 329.343 3.577 20 0 EHADRM CSc1cc(C(=O)N(CCC(=O)[O-])C2CC2)c(Cl)cc1Cl ZINC000237295430 1039134856 /nfs/dbraw/zinc/13/48/56/1039134856.db2.gz XTSQZDFMLMDFNH-UHFFFAOYSA-N -1 0 348.251 3.795 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[C@H]1[C@@H](C)c1ccccc1 ZINC000910935794 1039142896 /nfs/dbraw/zinc/14/28/96/1039142896.db2.gz NKPJASDEDZWCIL-LRDDRELGSA-N -1 0 327.380 3.695 20 0 EHADRM CSc1ccc(NC(=O)CSCCC(C)C)cc1C(=O)[O-] ZINC000910948798 1039153180 /nfs/dbraw/zinc/15/31/80/1039153180.db2.gz AMFUJAASNUPMMN-UHFFFAOYSA-N -1 0 327.471 3.825 20 0 EHADRM c1ccc(-c2n[n-]c(=NCCCCCOC3CCCCC3)s2)nc1 ZINC000545471788 1039166594 /nfs/dbraw/zinc/16/65/94/1039166594.db2.gz QNPOOLXWHOZSFU-UHFFFAOYSA-N -1 0 346.500 3.954 20 0 EHADRM CC(C)c1ccc(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)CC2)cc1 ZINC000911018716 1039186352 /nfs/dbraw/zinc/18/63/52/1039186352.db2.gz XMBRWCSLUZSOCA-UHFFFAOYSA-N -1 0 343.345 3.679 20 0 EHADRM COc1ccc([C@H](NC(=O)C(C)(C)CCC(=O)[O-])C2CCC2)cc1 ZINC000911063383 1039222388 /nfs/dbraw/zinc/22/23/88/1039222388.db2.gz USIZACLIZSILIU-QGZVFWFLSA-N -1 0 333.428 3.544 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000554333018 1039228511 /nfs/dbraw/zinc/22/85/11/1039228511.db2.gz KLOSZYBPTRFQPN-KBRIMQKVSA-N -1 0 333.428 3.801 20 0 EHADRM CCCCC[C@@H](C)CC(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000236801569 1039259283 /nfs/dbraw/zinc/25/92/83/1039259283.db2.gz HBQFJAYPLCOVSX-PWSUYJOCSA-N -1 0 326.462 3.933 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)c1cccc(F)c1Cl ZINC000318848576 1039293215 /nfs/dbraw/zinc/29/32/15/1039293215.db2.gz GASSAPSOGWDJBI-ZDUSSCGKSA-N -1 0 327.783 3.633 20 0 EHADRM CC1(C)C[C@@H](N=c2nc(C(F)(F)F)[n-]s2)c2cc(F)ccc2O1 ZINC000651415779 1039299857 /nfs/dbraw/zinc/29/98/57/1039299857.db2.gz MUCBZBOEKZBWGW-SECBINFHSA-N -1 0 347.337 3.832 20 0 EHADRM CC(C)n1cc(/C=C(\CCC(=O)[O-])c2nc3ccccc3s2)nn1 ZINC000554389812 1039300255 /nfs/dbraw/zinc/30/02/55/1039300255.db2.gz KQDOKQFWLIUXEW-FMIVXFBMSA-N -1 0 342.424 3.874 20 0 EHADRM COc1cc(C)ccc1[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000323585653 1039315445 /nfs/dbraw/zinc/31/54/45/1039315445.db2.gz WLSKURQCCOQYTJ-UHFFFAOYSA-N -1 0 327.405 3.958 20 0 EHADRM CC(C)[C@@H]1CCCCN1C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000668864894 1039322446 /nfs/dbraw/zinc/32/24/46/1039322446.db2.gz NBUVFGLWVSYJTI-AWEZNQCLSA-N -1 0 349.381 3.507 20 0 EHADRM Cc1cscc1[N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000480230727 1039332512 /nfs/dbraw/zinc/33/25/12/1039332512.db2.gz RKSMAPQUOZWGEX-UHFFFAOYSA-N -1 0 335.372 3.962 20 0 EHADRM O=C([O-])c1cccc(CC(=O)Nc2cccc(NC3CCCC3)c2)c1 ZINC000911367807 1039342037 /nfs/dbraw/zinc/34/20/37/1039342037.db2.gz UKWDNKKSRXQUPS-UHFFFAOYSA-N -1 0 338.407 3.921 20 0 EHADRM O=C([O-])C1CCC(CC(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000911390757 1039342797 /nfs/dbraw/zinc/34/27/97/1039342797.db2.gz SLRFSCFOTAJYRV-GNRIBBGQSA-N -1 0 349.393 3.752 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1ccc(C)c(Oc2cc(C)ccn2)c1 ZINC000911416348 1039347753 /nfs/dbraw/zinc/34/77/53/1039347753.db2.gz KEDVVYUHPLECDK-CQSZACIVSA-N -1 0 328.368 3.540 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccc(-c3ccco3)cc2F)C1 ZINC000911443016 1039364879 /nfs/dbraw/zinc/36/48/79/1039364879.db2.gz ZJQRQMJPNFVPGJ-STQMWFEESA-N -1 0 331.343 3.915 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2cc(Cl)c([O-])cc2F)CCCC1 ZINC000911421124 1039369447 /nfs/dbraw/zinc/36/94/47/1039369447.db2.gz IISZUZRCXOGXSA-UHFFFAOYSA-N -1 0 329.755 3.548 20 0 EHADRM CSCC[C@@H]([NH2+]Cc1ccc(-c2cccc(F)c2C)o1)C(=O)[O-] ZINC000426678355 1039371320 /nfs/dbraw/zinc/37/13/20/1039371320.db2.gz PULIBVRLTCOLFY-OAHLLOKOSA-N -1 0 337.416 3.690 20 0 EHADRM C[C@H](CN(C)C(=O)c1ccc(SCc2ccccc2)cc1)C(=O)[O-] ZINC000237579914 1039391404 /nfs/dbraw/zinc/39/14/04/1039391404.db2.gz SXRSZEFNVPYIMG-CQSZACIVSA-N -1 0 343.448 3.772 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1-c1ccccc1OC[C@@H]1CCOC1 ZINC000906237930 1039423919 /nfs/dbraw/zinc/42/39/19/1039423919.db2.gz AKOQBQHCOLUHAV-OAHLLOKOSA-N -1 0 342.391 3.541 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000911672909 1039442895 /nfs/dbraw/zinc/44/28/95/1039442895.db2.gz CYRVHPDUVIBTOC-UHFFFAOYSA-N -1 0 337.366 3.616 20 0 EHADRM Cc1cc(F)c(NC(=O)Cc2ccccc2OC(C)C)cc1C(=O)[O-] ZINC000911681978 1039457120 /nfs/dbraw/zinc/45/71/20/1039457120.db2.gz VAORVNGQTSJZMN-UHFFFAOYSA-N -1 0 345.370 3.801 20 0 EHADRM Cc1c(C(=O)Nc2cc(C(=O)[O-])c(C)cc2F)oc2c1C(=O)CCC2 ZINC000911682208 1039457480 /nfs/dbraw/zinc/45/74/80/1039457480.db2.gz WBQKULCOYIYOKM-UHFFFAOYSA-N -1 0 345.326 3.505 20 0 EHADRM COc1ccc(C(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)c(O)c1 ZINC000156029446 1039475505 /nfs/dbraw/zinc/47/55/05/1039475505.db2.gz SBSGFMKEIZVCJR-GFCCVEGCSA-N -1 0 338.363 3.547 20 0 EHADRM CCC[C@H]1C[C@@H](C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)CCO1 ZINC000911738377 1039479447 /nfs/dbraw/zinc/47/94/47/1039479447.db2.gz REXVWSIPFOLGKW-KBPBESRZSA-N -1 0 349.427 3.706 20 0 EHADRM CC(C)Oc1c(NC(=O)c2ccnc(C3CC3)c2)cccc1C(=O)[O-] ZINC000911733858 1039489982 /nfs/dbraw/zinc/48/99/82/1039489982.db2.gz LCKGFYSEGIJQBI-UHFFFAOYSA-N -1 0 340.379 3.697 20 0 EHADRM CC1(C)Cc2ccc(Br)cc2[C@@H]1N=c1[n-]nc(C2CC2)o1 ZINC000488959842 1039503978 /nfs/dbraw/zinc/50/39/78/1039503978.db2.gz FVAPIRKGFRAMRS-ZDUSSCGKSA-N -1 0 348.244 3.867 20 0 EHADRM CCC[C@@](C)(NC(=O)N[C@@H](C)c1cc2ccccc2s1)C(=O)[O-] ZINC000554603030 1039514654 /nfs/dbraw/zinc/51/46/54/1039514654.db2.gz GDZZUNJFDVVRNS-APPDUMDISA-N -1 0 334.441 3.905 20 0 EHADRM FC(F)(F)c1nc(=N[C@H]2CCOc3c(Cl)cccc32)s[n-]1 ZINC000552987717 1039689694 /nfs/dbraw/zinc/68/96/94/1039689694.db2.gz DBQLXVJXHUXZRK-QMMMGPOBSA-N -1 0 335.738 3.568 20 0 EHADRM CC[C@H](N=c1nc(C2CC2)[n-]s1)c1nc(-c2ccccc2)c[nH]1 ZINC000543976812 1039706975 /nfs/dbraw/zinc/70/69/75/1039706975.db2.gz PUYHZJGSLFQLCX-ZDUSSCGKSA-N -1 0 325.441 3.791 20 0 EHADRM CCOc1ccccc1[C@H](CC)N=c1nc(C(F)(F)F)[n-]s1 ZINC000553051861 1039734228 /nfs/dbraw/zinc/73/42/28/1039734228.db2.gz CCSBSJPVWDEHOY-JTQLQIEISA-N -1 0 331.363 3.941 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCC(=O)C[C@H]1C1CC1 ZINC000912184496 1039734894 /nfs/dbraw/zinc/73/48/94/1039734894.db2.gz ATKGKYLZMGIOLW-KRWDZBQOSA-N -1 0 343.810 3.783 20 0 EHADRM Cc1cccc(CO[N-]C(=O)C(C)(C)c2cccc(Cl)c2F)n1 ZINC000898932240 1039736657 /nfs/dbraw/zinc/73/66/57/1039736657.db2.gz JCAOZBCUPQHQRD-UHFFFAOYSA-N -1 0 336.794 3.708 20 0 EHADRM CCOc1ccc(CN=c2[n-]nc(-c3ccc(C)s3)o2)cc1F ZINC000485968407 1039751281 /nfs/dbraw/zinc/75/12/81/1039751281.db2.gz SKFLYCLUYNVEQR-UHFFFAOYSA-N -1 0 333.388 3.678 20 0 EHADRM O=C([O-])c1ccc2nc(/C=C\c3cc(-n4ccnc4)cs3)oc2c1 ZINC000486104352 1039882509 /nfs/dbraw/zinc/88/25/09/1039882509.db2.gz UODOYVNIHCYXOJ-RQOWECAXSA-N -1 0 337.360 3.944 20 0 EHADRM c1cc(-c2n[n-]c(=NCC3(c4ccccc4)CCCC3)s2)no1 ZINC000553244753 1039911041 /nfs/dbraw/zinc/91/10/41/1039911041.db2.gz CIBUQRKFEKEBIQ-UHFFFAOYSA-N -1 0 326.425 3.539 20 0 EHADRM CC(C)(C)OCCCCSc1n[n-]c(=NCc2ccco2)s1 ZINC000473398060 1039922877 /nfs/dbraw/zinc/92/28/77/1039922877.db2.gz FSDOOQZPBBJSBE-UHFFFAOYSA-N -1 0 341.502 3.853 20 0 EHADRM C[C@@H](C(=O)Nc1cc(Br)cc(Cl)c1[O-])[C@H]1CCCO1 ZINC000907165729 1039938951 /nfs/dbraw/zinc/93/89/51/1039938951.db2.gz YVGJNIOJQFZFOX-RDDDGLTNSA-N -1 0 348.624 3.562 20 0 EHADRM Cc1ccc(OCCCCN=c2[n-]c(C(F)(F)F)ns2)cc1 ZINC000553296689 1039942514 /nfs/dbraw/zinc/94/25/14/1039942514.db2.gz MZMNOKSUBWXNKP-UHFFFAOYSA-N -1 0 331.363 3.558 20 0 EHADRM Cc1nc(CNCc2c(F)cc(C)cc2Cl)sc1C(=O)[O-] ZINC000417545681 1039973426 /nfs/dbraw/zinc/97/34/26/1039973426.db2.gz KFZIPJHEIXSCRT-UHFFFAOYSA-N -1 0 328.796 3.540 20 0 EHADRM CC(C)c1ncc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)s1 ZINC000417562518 1040011467 /nfs/dbraw/zinc/01/14/67/1040011467.db2.gz MRWOFHDDQZGJDX-CYBMUJFWSA-N -1 0 342.823 3.975 20 0 EHADRM CC[C@@H](Cc1ccc(NCc2ccc(OC)c(O)c2)cc1)C(=O)[O-] ZINC000417605092 1040058222 /nfs/dbraw/zinc/05/82/22/1040058222.db2.gz ACLOHXFOXUBNPT-HNNXBMFYSA-N -1 0 329.396 3.666 20 0 EHADRM CCc1nn(C)c(CC)c1CNc1ccc(CCCC(=O)[O-])cc1 ZINC000417602808 1040064969 /nfs/dbraw/zinc/06/49/69/1040064969.db2.gz WOGPBTBEWOVCAP-UHFFFAOYSA-N -1 0 329.444 3.564 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccn(C(C)C)n2)cc1 ZINC000479249071 1040071652 /nfs/dbraw/zinc/07/16/52/1040071652.db2.gz RANGRHQCMIBTPZ-UHFFFAOYSA-N -1 0 335.473 3.952 20 0 EHADRM CCOc1ccc(CNc2cc(CCC(=O)[O-])ccc2OC)cc1F ZINC000417620954 1040073728 /nfs/dbraw/zinc/07/37/28/1040073728.db2.gz DOOXVPDTMJBPAZ-UHFFFAOYSA-N -1 0 347.386 3.862 20 0 EHADRM C[C@H](CC(=O)[O-])c1ccc(NCc2ccc([S@](C)=O)cc2)cc1 ZINC000417611180 1040079143 /nfs/dbraw/zinc/07/91/43/1040079143.db2.gz OKBCMVVYUHKBEN-ZLOXQWCVSA-N -1 0 331.437 3.614 20 0 EHADRM COc1cc(C)c(CNc2ccc(C[C@H](C)C(=O)[O-])cc2)c(C)n1 ZINC000417612349 1040080069 /nfs/dbraw/zinc/08/00/69/1040080069.db2.gz RAVHGSHHUOGZEK-ZDUSSCGKSA-N -1 0 328.412 3.582 20 0 EHADRM COCCOc1cccc(CNc2ccc([C@H](C)CC(=O)[O-])cc2)c1 ZINC000417614865 1040083837 /nfs/dbraw/zinc/08/38/37/1040083837.db2.gz WBYXQPRFHKULCH-OAHLLOKOSA-N -1 0 343.423 3.902 20 0 EHADRM COc1ccc(CNc2cc(CCC(=O)[O-])ccc2OC)cc1Cl ZINC000417629664 1040088925 /nfs/dbraw/zinc/08/89/25/1040088925.db2.gz SMNSUEVDZAQBHF-UHFFFAOYSA-N -1 0 349.814 3.987 20 0 EHADRM CCc1cc(C(=O)NC[C@H](C(=O)[O-])c2ccc(C)cc2)sc1C ZINC000486371650 1040093534 /nfs/dbraw/zinc/09/35/34/1040093534.db2.gz GFNBCHNRALSYIK-HNNXBMFYSA-N -1 0 331.437 3.526 20 0 EHADRM COc1cc(C)c(CNc2ccc(C(C)(C)C(=O)[O-])cc2)cc1OC ZINC000417631160 1040094950 /nfs/dbraw/zinc/09/49/50/1040094950.db2.gz VIGUJNCLDFEYBB-UHFFFAOYSA-N -1 0 343.423 3.987 20 0 EHADRM CCCc1ccccc1C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000907586009 1040101570 /nfs/dbraw/zinc/10/15/70/1040101570.db2.gz JDWHRBZXXSPYJZ-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NCc2ncc(C(F)(F)F)s2)c2ccccc21 ZINC000417628969 1040107094 /nfs/dbraw/zinc/10/70/94/1040107094.db2.gz PQYLBXQIWHEOCE-WDEREUQCSA-N -1 0 342.342 3.565 20 0 EHADRM CCOc1cccc(CNc2ccc(S[C@H](C)C(=O)[O-])cc2)n1 ZINC000417644273 1040107902 /nfs/dbraw/zinc/10/79/02/1040107902.db2.gz BTECOJVJHACGJO-GFCCVEGCSA-N -1 0 332.425 3.658 20 0 EHADRM C[C@H](Cc1cccc(Br)c1)N=c1[n-]nc(C(F)F)s1 ZINC000584858760 1040127633 /nfs/dbraw/zinc/12/76/33/1040127633.db2.gz LBDKAQKVTLRSMI-SSDOTTSWSA-N -1 0 348.216 3.703 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2cc(C(C)(C)C)oc2C)n1 ZINC000907705685 1040136345 /nfs/dbraw/zinc/13/63/45/1040136345.db2.gz YYUVTPMAWSOPGM-ZDUSSCGKSA-N -1 0 347.415 3.760 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)c1cc(-n2cccc2)ccc1Cl)C1CC1 ZINC000907748374 1040152693 /nfs/dbraw/zinc/15/26/93/1040152693.db2.gz PEPPDPLSBITSPS-SFHVURJKSA-N -1 0 346.814 3.504 20 0 EHADRM CC(C)Cc1ncc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)s1 ZINC000907750742 1040154237 /nfs/dbraw/zinc/15/42/37/1040154237.db2.gz TYEUIKKSCWELKG-LBPRGKRZSA-N -1 0 344.436 3.560 20 0 EHADRM O=C([O-])[C@]1(C(=O)N2C[C@@H]3CC[C@H]2c2ccccc23)C[C@@H]1c1ccccc1 ZINC000907760162 1040155912 /nfs/dbraw/zinc/15/59/12/1040155912.db2.gz FTHVASWYRFMLAC-TUXJCPBXSA-N -1 0 347.414 3.706 20 0 EHADRM CCC(C)(C)c1ccccc1C(=O)Nc1ncc(CC(=O)[O-])s1 ZINC000907765408 1040159166 /nfs/dbraw/zinc/15/91/66/1040159166.db2.gz BBDQLHDOABKCQP-UHFFFAOYSA-N -1 0 332.425 3.710 20 0 EHADRM CC[C@H](CNC(=O)c1ccc([O-])c(Cl)c1)Oc1cccc(C)c1 ZINC000489751704 1040170183 /nfs/dbraw/zinc/17/01/83/1040170183.db2.gz IMDPIJKJHPEKKJ-CQSZACIVSA-N -1 0 333.815 3.941 20 0 EHADRM C[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1onc(C2CC2)c1Cl ZINC001211740929 1040198499 /nfs/dbraw/zinc/19/84/99/1040198499.db2.gz AKDKPTUGZKWGEG-JTQLQIEISA-N -1 0 346.880 3.843 20 0 EHADRM Cc1ccc(C[C@@H](C)N=c2[n-]nc(C3CCOCC3)s2)c(C)c1 ZINC000555138521 1040221458 /nfs/dbraw/zinc/22/14/58/1040221458.db2.gz ULMWYWYPQHBJAY-CQSZACIVSA-N -1 0 331.485 3.514 20 0 EHADRM CC(C)(C)c1nc(=N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)s[n-]1 ZINC000489901780 1040227729 /nfs/dbraw/zinc/22/77/29/1040227729.db2.gz XRMSGMULAKMYDV-ZIAGYGMSSA-N -1 0 335.448 3.729 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)C3(c4cccs4)CCCCC3)[C@@H]2C1 ZINC000907936586 1040237177 /nfs/dbraw/zinc/23/71/77/1040237177.db2.gz SBPIWVNMOKDGCE-TUVASFSCSA-N -1 0 347.480 3.566 20 0 EHADRM CC[C@@H]1CCC[C@@]1(C)C(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)ccc1C ZINC000907958721 1040247327 /nfs/dbraw/zinc/24/73/27/1040247327.db2.gz UYCFCSQMARTTJC-FZKQIMNGSA-N -1 0 328.416 3.641 20 0 EHADRM CCC(CC)CNc1cccc(S(=O)(=O)[N-]c2nccs2)c1 ZINC000512611632 1040270807 /nfs/dbraw/zinc/27/08/07/1040270807.db2.gz ANSSNQQWNQVAFN-UHFFFAOYSA-N -1 0 339.486 3.792 20 0 EHADRM Cc1oc(C(C)(C)C)cc1C(=O)N(C)c1cccc(CC(=O)[O-])c1 ZINC000908085720 1040281355 /nfs/dbraw/zinc/28/13/55/1040281355.db2.gz RNTJSYGYKDLIDB-UHFFFAOYSA-N -1 0 329.396 3.789 20 0 EHADRM Cc1ccc(CCC(=O)N(C)c2cccc(CC(=O)[O-])c2)c(C)c1 ZINC000908076558 1040287332 /nfs/dbraw/zinc/28/73/32/1040287332.db2.gz GBXPOSAHHCGZFN-UHFFFAOYSA-N -1 0 325.408 3.526 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)N(C)c1cccc(CC(=O)[O-])c1 ZINC000908080221 1040289283 /nfs/dbraw/zinc/28/92/83/1040289283.db2.gz OPHMULONFYYWON-KRWDZBQOSA-N -1 0 343.448 3.847 20 0 EHADRM Cc1cc2cccnc2c([N-]S(=O)(=O)c2c(C)cccc2F)c1 ZINC000479493129 1040299674 /nfs/dbraw/zinc/29/96/74/1040299674.db2.gz VGNVNSUXLZVQNR-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM CC1(c2cc(NC(=O)N3CCCC[C@H]3CCC(=O)[O-])no2)CCCC1 ZINC000899313063 1040313047 /nfs/dbraw/zinc/31/30/47/1040313047.db2.gz DWXYKMDRKXITBS-ZDUSSCGKSA-N -1 0 349.431 3.758 20 0 EHADRM Cc1cc2cc[nH]c2cc1NC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000899313599 1040313343 /nfs/dbraw/zinc/31/33/43/1040313343.db2.gz NPCCSXXACUMMLN-AWEZNQCLSA-N -1 0 329.400 3.728 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Nc1c(F)cc(Cl)cc1F ZINC000899312529 1040313905 /nfs/dbraw/zinc/31/39/05/1040313905.db2.gz ZAGOCOLNWSDWLP-SNVBAGLBSA-N -1 0 346.761 3.869 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@H](CO)c1ccc(Cl)cc1 ZINC000553680932 1040320983 /nfs/dbraw/zinc/32/09/83/1040320983.db2.gz IZJVQKMQZVMICL-SNVBAGLBSA-N -1 0 344.169 3.553 20 0 EHADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1c(C)cccc1F ZINC000479527619 1040322777 /nfs/dbraw/zinc/32/27/77/1040322777.db2.gz ZJJSSAVDUNFEJE-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM COC(=O)/C(=C\c1cc(C(=O)[O-])c(C)o1)c1nc(C(C)(C)C)cs1 ZINC000899364742 1040380209 /nfs/dbraw/zinc/38/02/09/1040380209.db2.gz HJGMWAJNOLPMIX-GHXNOFRVSA-N -1 0 349.408 3.754 20 0 EHADRM O=S(=O)([N-]c1cncc(Cl)n1)c1ccccc1-c1ccccc1 ZINC000190338405 1040384747 /nfs/dbraw/zinc/38/47/47/1040384747.db2.gz ZEUGXJZHYUYJTQ-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM C[C@@H]1CCN(C(=O)c2n[n-]c3ccccc3c2=O)[C@@H]1c1ccccc1 ZINC000899375677 1040390130 /nfs/dbraw/zinc/39/01/30/1040390130.db2.gz MGAKRUXQDNVMGE-ACJLOTCBSA-N -1 0 333.391 3.559 20 0 EHADRM Cc1ccc(C)c(C2CCN(C(=O)[C@@H]3CC[C@H](C(=O)[O-])C3)CC2)c1 ZINC000908354197 1040407849 /nfs/dbraw/zinc/40/78/49/1040407849.db2.gz CHNRYLHHLNYBNN-SJORKVTESA-N -1 0 329.440 3.510 20 0 EHADRM CC(C)c1cc(C(=O)N[C@@H]2CC[C@H](CC(=O)[O-])C2)c2ccccc2n1 ZINC000908374244 1040417332 /nfs/dbraw/zinc/41/73/32/1040417332.db2.gz CDRNPTWORBUYNN-UONOGXRCSA-N -1 0 340.423 3.731 20 0 EHADRM CCC[C@@H](C(=O)Nc1ccc(-n2[n-]c(C3CC3)cc2=O)nc1)C(C)C ZINC000912865869 1040420692 /nfs/dbraw/zinc/42/06/92/1040420692.db2.gz SCKQSFJEPZMLCS-OAHLLOKOSA-N -1 0 342.443 3.595 20 0 EHADRM CC[C@@H](CC(=O)Nc1ccc(-n2[n-]c(C3CC3)cc2=O)nc1)C(C)C ZINC000912867972 1040422787 /nfs/dbraw/zinc/42/27/87/1040422787.db2.gz OZNPIEJFLUBCHA-ZDUSSCGKSA-N -1 0 342.443 3.595 20 0 EHADRM Cc1c2cccc(Cl)c2[nH]c1C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1 ZINC000908383866 1040425445 /nfs/dbraw/zinc/42/54/45/1040425445.db2.gz QEXPEPAOYIKCRL-WDEREUQCSA-N -1 0 334.803 3.503 20 0 EHADRM Cc1cc(C(=O)N=c2[n-]nc(/C=C/c3ccco3)s2)cc(C)c1F ZINC000490344717 1040506346 /nfs/dbraw/zinc/50/63/46/1040506346.db2.gz OTYALOGHFZSISX-AATRIKPKSA-N -1 0 343.383 3.732 20 0 EHADRM CN=c1[n-]nc(Sc2nc3cc(Cl)cc(Cl)c3o2)s1 ZINC000433038447 1040518949 /nfs/dbraw/zinc/51/89/49/1040518949.db2.gz GYYADOHKMZJRFA-UHFFFAOYSA-N -1 0 333.225 3.601 20 0 EHADRM COc1cccc(Cn2nccc2Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001211654942 1040518994 /nfs/dbraw/zinc/51/89/94/1040518994.db2.gz FYXLDQWEBOZFSC-UHFFFAOYSA-N -1 0 337.379 3.690 20 0 EHADRM O=C(N=c1cc(C(F)(F)F)[n-][nH]1)c1cc(C2CC2)nc2ccccc21 ZINC000479709028 1040553290 /nfs/dbraw/zinc/55/32/90/1040553290.db2.gz VJQDARCQQQMHTG-UHFFFAOYSA-N -1 0 346.312 3.528 20 0 EHADRM C[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)Nc1cccc(C2CC2)n1 ZINC000908682837 1040572781 /nfs/dbraw/zinc/57/27/81/1040572781.db2.gz HMLQLAXFZKPQFS-ZDUSSCGKSA-N -1 0 339.395 3.639 20 0 EHADRM O=C([O-])CC1(CNC(=O)[C@H]2C[C@H]2c2ccccc2Cl)CCCCC1 ZINC000553936529 1040589937 /nfs/dbraw/zinc/58/99/37/1040589937.db2.gz WJYSSPIUGKTWMI-GJZGRUSLSA-N -1 0 349.858 3.985 20 0 EHADRM CCc1cccc(F)c1CN=c1[n-]nc(Cc2ccccc2F)o1 ZINC000479774218 1040593660 /nfs/dbraw/zinc/59/36/60/1040593660.db2.gz WYZMIXAKVDEBPI-UHFFFAOYSA-N -1 0 329.350 3.535 20 0 EHADRM COc1cccc(Cc2n[n-]c(=NCc3ccc(Cl)cc3C)o2)c1 ZINC000479787571 1040625771 /nfs/dbraw/zinc/62/57/71/1040625771.db2.gz XEIOBLWVKQRZME-UHFFFAOYSA-N -1 0 343.814 3.665 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000908759859 1040637857 /nfs/dbraw/zinc/63/78/57/1040637857.db2.gz JBCWJPHMSUKQNX-UONOGXRCSA-N -1 0 337.828 3.718 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1ccccc1O[C@@H](C)c1ccccc1 ZINC000908809642 1040661539 /nfs/dbraw/zinc/66/15/39/1040661539.db2.gz OBTPMCFJBQLBEU-DZGCQCFKSA-N -1 0 327.380 3.876 20 0 EHADRM O=C([O-])C[C@@H](CNC(=O)C1(c2cccs2)CCCCC1)C1CC1 ZINC000659209737 1040691250 /nfs/dbraw/zinc/69/12/50/1040691250.db2.gz LATOZUQIWNQYQN-AWEZNQCLSA-N -1 0 335.469 3.567 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)C[C@@H](C)c1ccccc1 ZINC000555525086 1040750443 /nfs/dbraw/zinc/75/04/43/1040750443.db2.gz UVDQBKKYXDCCRU-CYBMUJFWSA-N -1 0 336.395 3.618 20 0 EHADRM CSc1cc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c(C)o1 ZINC000909066891 1040789343 /nfs/dbraw/zinc/78/93/43/1040789343.db2.gz FUTPHZHFAFUFGQ-MEBBXXQBSA-N -1 0 333.409 3.502 20 0 EHADRM CC(C)(C(=O)[N-]O[C@H]1CCCCO1)c1cccc(C(F)(F)F)c1 ZINC000171406545 1040816857 /nfs/dbraw/zinc/81/68/57/1040816857.db2.gz HVQRVQFUPYNOED-ZDUSSCGKSA-N -1 0 331.334 3.557 20 0 EHADRM O=C([O-])c1cc(NC(=O)C[C@@H]2CCC3(CCC3)CO2)ccc1Cl ZINC000909113095 1040827833 /nfs/dbraw/zinc/82/78/33/1040827833.db2.gz OVPJJESMDIDZRI-LBPRGKRZSA-N -1 0 337.803 3.716 20 0 EHADRM Cc1cc(C)c(OCC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c(C)c1 ZINC000325040956 1040830629 /nfs/dbraw/zinc/83/06/29/1040830629.db2.gz MJYUBKQZPLWYKN-UHFFFAOYSA-N -1 0 347.798 3.981 20 0 EHADRM CC[C@H]1C[C@H](CC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CCO1 ZINC000909271360 1040894133 /nfs/dbraw/zinc/89/41/33/1040894133.db2.gz BGNHEIKIJIMYQS-YGRLFVJLSA-N -1 0 325.792 3.572 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)N=c1nn[n-]n1-c1ccc(C)cc1 ZINC000614310069 1041000907 /nfs/dbraw/zinc/00/09/07/1041000907.db2.gz VQPGQIAJRBBUPE-CQSZACIVSA-N -1 0 333.395 3.620 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000909829543 1041015114 /nfs/dbraw/zinc/01/51/14/1041015114.db2.gz DTZHLLNNSOTKOK-ZDUSSCGKSA-N -1 0 343.427 3.993 20 0 EHADRM CCC(CC)n1ccc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)n1 ZINC000909834777 1041032573 /nfs/dbraw/zinc/03/25/73/1041032573.db2.gz AZLHDDAXQFZILL-LBPRGKRZSA-N -1 0 329.400 3.685 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2csc(C3CCCCC3)n2)C1 ZINC000909842613 1041036519 /nfs/dbraw/zinc/03/65/19/1041036519.db2.gz NTXJLODBFPFRMA-QGZVFWFLSA-N -1 0 336.457 3.518 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)NCc1ccccc1Cl ZINC000555723596 1041044215 /nfs/dbraw/zinc/04/42/15/1041044215.db2.gz JJQDLSNKMWFEDL-ZDUSSCGKSA-N -1 0 346.814 3.525 20 0 EHADRM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1cccs1)c1ccc(Cl)cc1 ZINC000652051609 1041050611 /nfs/dbraw/zinc/05/06/11/1041050611.db2.gz KXUWSIPCYYTMOQ-ZWNOBZJWSA-N -1 0 337.828 3.837 20 0 EHADRM CSc1ccccc1[C@@H](C)NC(=O)c1ccccc1CCC(=O)[O-] ZINC000909921014 1041054754 /nfs/dbraw/zinc/05/47/54/1041054754.db2.gz KXBZKHDETZWLES-CYBMUJFWSA-N -1 0 343.448 3.917 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3CCC[C@H](c4ccccc4)C3)(CC1)CC2 ZINC000909924177 1041063684 /nfs/dbraw/zinc/06/36/84/1041063684.db2.gz YNAYSBFJXJPNMX-RPCJCACASA-N -1 0 341.451 3.818 20 0 EHADRM CCCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000756592497 1041068178 /nfs/dbraw/zinc/06/81/78/1041068178.db2.gz YZVWQMGIHIGVIZ-LBPRGKRZSA-N -1 0 346.880 3.537 20 0 EHADRM Cc1c(NCC(C)(C)C)cccc1C(=O)NCc1ccoc1C(=O)[O-] ZINC000909961595 1041082317 /nfs/dbraw/zinc/08/23/17/1041082317.db2.gz FRDLGFZVHCZZHV-UHFFFAOYSA-N -1 0 344.411 3.674 20 0 EHADRM CC(C)(C)SCCCC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000909954100 1041095589 /nfs/dbraw/zinc/09/55/89/1041095589.db2.gz CKEIMXZLJIXBRX-QLFBSQMISA-N -1 0 341.517 3.790 20 0 EHADRM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000512837735 1041095429 /nfs/dbraw/zinc/09/54/29/1041095429.db2.gz KAUBWFMBOXKUBU-NSHDSACASA-N -1 0 341.379 3.943 20 0 EHADRM C[C@@]1(C(=O)[O-])[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1cccc2ccsc21 ZINC000899774778 1041112562 /nfs/dbraw/zinc/11/25/62/1041112562.db2.gz HWMXGUOEMHIRQB-NMFBSDBYSA-N -1 0 327.405 3.753 20 0 EHADRM CCOc1ccc(NC(=O)C[C@H](C(=O)[O-])c2ccc(C)cc2)c(F)c1 ZINC000899788373 1041126980 /nfs/dbraw/zinc/12/69/80/1041126980.db2.gz IQSWDXMOXNJFQA-HNNXBMFYSA-N -1 0 345.370 3.730 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N(C)[C@@H](C)c2ccccc2)C(=O)[O-])cc1 ZINC000899797223 1041132784 /nfs/dbraw/zinc/13/27/84/1041132784.db2.gz ZXJWGBVJNICGDK-MAUKXSAKSA-N -1 0 325.408 3.773 20 0 EHADRM CN(Cc1cccc2ccccc21)C(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-] ZINC000899802271 1041142025 /nfs/dbraw/zinc/14/20/25/1041142025.db2.gz ZODYXFCNDTWTCM-AMOSPBCESA-N -1 0 349.430 3.711 20 0 EHADRM COc1cccc(NC(=O)C[C@@H](C(=O)[O-])c2ccc(C)cc2)c1C ZINC000899794757 1041146319 /nfs/dbraw/zinc/14/63/19/1041146319.db2.gz NYESCHXBTDKUEF-OAHLLOKOSA-N -1 0 327.380 3.509 20 0 EHADRM Cc1ccc([C@H](CC(=O)N2CCC[C@H]2c2ccccc2)C(=O)[O-])cc1 ZINC000899796336 1041149199 /nfs/dbraw/zinc/14/91/99/1041149199.db2.gz KDCZJLUNSCWIQG-OALUTQOASA-N -1 0 337.419 3.917 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)C34CCC(C(=O)[O-])(CC3)C4)C2)cc1 ZINC000910013410 1041150116 /nfs/dbraw/zinc/15/01/16/1041150116.db2.gz ZEZLVHMSQXOVTQ-HLTSBHQESA-N -1 0 341.451 3.735 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(F)cc1OC(F)F ZINC000899811538 1041156425 /nfs/dbraw/zinc/15/64/25/1041156425.db2.gz LDNJQHXXFUPDCH-VIFPVBQESA-N -1 0 333.306 3.503 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N[C@@H](C(C)(C)C)C(F)(F)F)C(=O)[O-])cc1 ZINC000899812070 1041156810 /nfs/dbraw/zinc/15/68/10/1041156810.db2.gz MOEKWVGABAYHTA-DOMZBBRYSA-N -1 0 345.361 3.647 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N[C@H](C(C)(C)C)C(F)(F)F)C(=O)[O-])cc1 ZINC000899812105 1041156913 /nfs/dbraw/zinc/15/69/13/1041156913.db2.gz MOEKWVGABAYHTA-IUODEOHRSA-N -1 0 345.361 3.647 20 0 EHADRM Cc1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C(=O)[O-])sc2c1CCCC2 ZINC000899814340 1041159481 /nfs/dbraw/zinc/15/94/81/1041159481.db2.gz YSFBWSNHFRHOIE-VAOGDNLBSA-N -1 0 345.464 3.787 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)c2ccc(C(C)(F)F)cc2)s[n-]1 ZINC000555801093 1041161658 /nfs/dbraw/zinc/16/16/58/1041161658.db2.gz JADZMUTWWVOVNU-UHFFFAOYSA-N -1 0 325.384 3.622 20 0 EHADRM Cc1cc(-n2ccc3c2cc(Br)cc3N)ccc1C(=O)[O-] ZINC001211657709 1041165690 /nfs/dbraw/zinc/16/56/90/1041165690.db2.gz YJCUYSNSKJNNCM-UHFFFAOYSA-N -1 0 345.196 3.982 20 0 EHADRM C[C@@H](CC(=O)N1CCC[C@H]1c1nc(C(=O)[O-])cs1)c1ccccc1 ZINC000910111851 1041193987 /nfs/dbraw/zinc/19/39/87/1041193987.db2.gz HEZVYZXTQMXMSH-WFASDCNBSA-N -1 0 344.436 3.699 20 0 EHADRM CC1(C)CCC(C(=O)N2CCC[C@@H]2c2nc(C(=O)[O-])cs2)CC1 ZINC000910110933 1041194855 /nfs/dbraw/zinc/19/48/55/1041194855.db2.gz WCQQZUYWFAIYOH-CYBMUJFWSA-N -1 0 336.457 3.721 20 0 EHADRM CCC[C@]1(C(=O)[O-])CCCN1C(=O)C[C@H](c1ccc(O)cc1)C1CC1 ZINC000910115056 1041197182 /nfs/dbraw/zinc/19/71/82/1041197182.db2.gz NBDUVNXQBISJCO-FXAWDEMLSA-N -1 0 345.439 3.522 20 0 EHADRM O=C([O-])CC1(CC(=O)NCC[C@H]2CCC(F)(F)C2)CCCCC1 ZINC000899852975 1041211273 /nfs/dbraw/zinc/21/12/73/1041211273.db2.gz OKWHRCBILGFHQT-CYBMUJFWSA-N -1 0 331.403 3.743 20 0 EHADRM O=C([O-])CC1(CC(=O)NCC[C@@H]2CCC(F)(F)C2)CCCCC1 ZINC000899852976 1041211697 /nfs/dbraw/zinc/21/16/97/1041211697.db2.gz OKWHRCBILGFHQT-ZDUSSCGKSA-N -1 0 331.403 3.743 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl ZINC000555843600 1041214927 /nfs/dbraw/zinc/21/49/27/1041214927.db2.gz PAFPMHZFDOJQDW-SNVBAGLBSA-N -1 0 347.242 3.602 20 0 EHADRM Cc1cc(C)cc([C@@H](C)NC(=O)N(C)C2(C(=O)[O-])CCCCC2)c1 ZINC000555843924 1041216737 /nfs/dbraw/zinc/21/67/37/1041216737.db2.gz SDAKROXNJZCJEV-OAHLLOKOSA-N -1 0 332.444 3.793 20 0 EHADRM CCc1nc2cc(NC(=O)N(C)C3(C(=O)[O-])CCCCC3)ccc2o1 ZINC000555852290 1041226785 /nfs/dbraw/zinc/22/67/85/1041226785.db2.gz CGWYQJGSUBPXFJ-UHFFFAOYSA-N -1 0 345.399 3.641 20 0 EHADRM O=C([O-])Cc1c[nH]c2ccc(-c3ccc(O[C@H]4CCOC4)cc3)cc12 ZINC000571226656 1041237878 /nfs/dbraw/zinc/23/78/78/1041237878.db2.gz SXUNOBLZISJAIS-KRWDZBQOSA-N -1 0 337.375 3.630 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C[C@H]2C=CCCC2)c(OCC(F)F)c1 ZINC000910220484 1041239007 /nfs/dbraw/zinc/23/90/07/1041239007.db2.gz NTESYWPTUHETHG-NSHDSACASA-N -1 0 339.338 3.714 20 0 EHADRM COC(=O)c1cc(Nc2ccc(C(=O)[O-])c(C)c2)c(OC)cc1Cl ZINC001211658185 1041428018 /nfs/dbraw/zinc/42/80/18/1041428018.db2.gz DNIAHLQNZNPWTF-UHFFFAOYSA-N -1 0 349.770 3.885 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1cccc(-c2ccoc2)c1)CC(=O)[O-] ZINC000652088949 1041533329 /nfs/dbraw/zinc/53/33/29/1041533329.db2.gz KWZATSHHCTYAJK-AWEZNQCLSA-N -1 0 329.396 3.813 20 0 EHADRM O=C(N=c1nc(-c2ccccc2Cl)[n-]s1)c1occ2c1CCC2 ZINC000511758441 1041566048 /nfs/dbraw/zinc/56/60/48/1041566048.db2.gz DHEXCQYNOFTWHR-UHFFFAOYSA-N -1 0 345.811 3.614 20 0 EHADRM CC(F)(F)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000549514298 1041577602 /nfs/dbraw/zinc/57/76/02/1041577602.db2.gz DZPJZZRCZGNSCE-UHFFFAOYSA-N -1 0 338.590 3.580 20 0 EHADRM CC1(C)Oc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2O1 ZINC000047251040 1041592982 /nfs/dbraw/zinc/59/29/82/1041592982.db2.gz UJTOFIVIGIMKAV-UHFFFAOYSA-N -1 0 339.800 3.648 20 0 EHADRM Cc1cc(C)cc([C@H]2CCN(C(=O)Cc3ccccc3C(=O)[O-])C2)c1 ZINC000432135744 1041633881 /nfs/dbraw/zinc/63/38/81/1041633881.db2.gz LMCNQIZNBRRBIN-KRWDZBQOSA-N -1 0 337.419 3.560 20 0 EHADRM c1ccc(C[C@@H]2CCC[C@@H]2N=c2[n-]nc(C3CCOCC3)s2)cc1 ZINC000549524685 1041889304 /nfs/dbraw/zinc/88/93/04/1041889304.db2.gz NYCLCIUKNDKYCV-IRXDYDNUSA-N -1 0 343.496 3.677 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)[N-]OCCC(F)(F)F ZINC000162807487 1042038358 /nfs/dbraw/zinc/03/83/58/1042038358.db2.gz QPROAOXAAIPXLW-MRVPVSSYSA-N -1 0 327.755 3.821 20 0 EHADRM O=C([O-])CC1(Nc2nc3cccc(OC(F)F)c3s2)CCC1 ZINC000662883701 1042183800 /nfs/dbraw/zinc/18/38/00/1042183800.db2.gz NDGUNVPEPJJRHE-UHFFFAOYSA-N -1 0 328.340 3.707 20 0 EHADRM O=C([O-])C1(CNc2nccc3cc(Br)ccc32)CCC1 ZINC000662898866 1042210858 /nfs/dbraw/zinc/21/08/58/1042210858.db2.gz SAPZTLHDNLBPID-UHFFFAOYSA-N -1 0 335.201 3.664 20 0 EHADRM C[C@@H](N=c1[n-]nc(C2CCOCC2)s1)c1ccc2c(c1)CCCC2 ZINC000549555119 1042222313 /nfs/dbraw/zinc/22/23/13/1042222313.db2.gz ITBXCLCVIHZKLE-CYBMUJFWSA-N -1 0 343.496 3.906 20 0 EHADRM CN(C(=O)c1cccc(CC(=O)[O-])c1)C1CC(C)(C)CC(C)(C)C1 ZINC000659180268 1042277566 /nfs/dbraw/zinc/27/75/66/1042277566.db2.gz SAUWCPIRWMZLSH-UHFFFAOYSA-N -1 0 331.456 3.991 20 0 EHADRM CC(C)(C)c1ccccc1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000236749565 1042346131 /nfs/dbraw/zinc/34/61/31/1042346131.db2.gz VKTLHHQJPIZBFC-UHFFFAOYSA-N -1 0 327.380 3.700 20 0 EHADRM Cc1cc(F)cc(C)c1C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000663025293 1042356056 /nfs/dbraw/zinc/35/60/56/1042356056.db2.gz IAUFTUIHOSUOHZ-QGZVFWFLSA-N -1 0 343.398 3.648 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 ZINC000663033052 1042367093 /nfs/dbraw/zinc/36/70/93/1042367093.db2.gz MUXSHGKKRARMSG-JTQLQIEISA-N -1 0 344.289 3.532 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc(Cl)cc2ccccc21 ZINC000663056843 1042402774 /nfs/dbraw/zinc/40/27/74/1042402774.db2.gz ORPNCLQNTVSBKY-DGCLKSJQSA-N -1 0 331.799 3.819 20 0 EHADRM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC000663109417 1042461073 /nfs/dbraw/zinc/46/10/73/1042461073.db2.gz ZRZQQFDBXXKDPE-VBKZILBWSA-N -1 0 344.455 3.813 20 0 EHADRM O=C(NCc1cc(-c2ccccc2)on1)c1cc(F)c([O-])c(Cl)c1 ZINC000184357715 1042474944 /nfs/dbraw/zinc/47/49/44/1042474944.db2.gz LBKIVEJIRWLSNQ-UHFFFAOYSA-N -1 0 346.745 3.770 20 0 EHADRM O=C([O-])[C@H](CNC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)C1CCC1 ZINC000663147246 1042494463 /nfs/dbraw/zinc/49/44/63/1042494463.db2.gz ARINHRHMGVPHDI-GUDVDZBRSA-N -1 0 337.419 3.560 20 0 EHADRM CC(C)(NC(=O)c1cc(F)c([O-])c(Cl)c1)c1cccc(F)c1 ZINC000184424883 1042539690 /nfs/dbraw/zinc/53/96/90/1042539690.db2.gz WUXBEGYECAVTDS-UHFFFAOYSA-N -1 0 325.742 3.989 20 0 EHADRM COc1ccc(Br)c(NC(=O)c2c([O-])cccc2F)c1 ZINC000184559518 1042578358 /nfs/dbraw/zinc/57/83/58/1042578358.db2.gz UQNSHNUGLMYMEU-UHFFFAOYSA-N -1 0 340.148 3.555 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1Cc1oc2ccccc2c1Br ZINC000662205137 1042588344 /nfs/dbraw/zinc/58/83/44/1042588344.db2.gz KPGVBDJGMCOKLK-NSHDSACASA-N -1 0 338.201 3.634 20 0 EHADRM Cc1cc(C)cc(CCC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000653328732 1042606555 /nfs/dbraw/zinc/60/65/55/1042606555.db2.gz MESRZNCHXJGRBV-RTBURBONSA-N -1 0 337.419 3.665 20 0 EHADRM CCCn1cc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2Cl)cn1 ZINC000663261392 1042608718 /nfs/dbraw/zinc/60/87/18/1042608718.db2.gz KJLYYKTWCPFTBR-AWEZNQCLSA-N -1 0 342.226 3.515 20 0 EHADRM O=S(=O)([N-]c1nccc2sccc21)c1cccc2cnccc21 ZINC000160914735 1042631606 /nfs/dbraw/zinc/63/16/06/1042631606.db2.gz HXBHUHULEXRTEU-UHFFFAOYSA-N -1 0 341.417 3.645 20 0 EHADRM O=C([O-])[C@H]1N(C(=O)N(c2ccccc2)c2ccccc2)CC12CCC2 ZINC000663286577 1042631894 /nfs/dbraw/zinc/63/18/94/1042631894.db2.gz DSLDCVGQIBDUIE-QGZVFWFLSA-N -1 0 336.391 3.884 20 0 EHADRM C[C@H](CCC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC000653328888 1042656083 /nfs/dbraw/zinc/65/60/83/1042656083.db2.gz ONIFJMCYRPSMJP-ZMYBRWDISA-N -1 0 337.419 4.000 20 0 EHADRM Cc1cc(NC(=O)c2cc(F)c([O-])c(F)c2)n(-c2ccc(F)cc2)n1 ZINC000186744485 1042701454 /nfs/dbraw/zinc/70/14/54/1042701454.db2.gz KQRCYKJGMGHYOA-UHFFFAOYSA-N -1 0 347.296 3.556 20 0 EHADRM O=C([O-])[C@H](CNC(=O)Nc1ccc2c3c(cccc31)CC2)C1CCC1 ZINC000663338336 1042720857 /nfs/dbraw/zinc/72/08/57/1042720857.db2.gz HWYAQGQWPVAHQC-MRXNPFEDSA-N -1 0 338.407 3.561 20 0 EHADRM O=C([O-])[C@H](CNC(=O)Nc1ccccc1OC1CCCC1)C1CCC1 ZINC000663342529 1042725581 /nfs/dbraw/zinc/72/55/81/1042725581.db2.gz ZLZYXYNLWTVXGX-OAHLLOKOSA-N -1 0 346.427 3.630 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccc2scnc2c1)CC(=O)[O-] ZINC000663344170 1042725662 /nfs/dbraw/zinc/72/56/62/1042725662.db2.gz BLQHKABNYPUFIN-NSHDSACASA-N -1 0 335.429 3.555 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1nc2ccccc2s1 ZINC000186962619 1042733760 /nfs/dbraw/zinc/73/37/60/1042733760.db2.gz QZOUGHDCBXJQBA-UHFFFAOYSA-N -1 0 336.463 3.819 20 0 EHADRM CC(C)n1cc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cn1 ZINC000066585549 1042769393 /nfs/dbraw/zinc/76/93/93/1042769393.db2.gz NVNBLNZMYUVUOI-UHFFFAOYSA-N -1 0 334.228 3.572 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c(F)c1 ZINC000303334700 1042926728 /nfs/dbraw/zinc/92/67/28/1042926728.db2.gz XPRBDSQPPOLBDQ-UHFFFAOYSA-N -1 0 333.306 3.954 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N[C@H]2CCC[C@@H](SC)C2)s1 ZINC000343960111 1042952226 /nfs/dbraw/zinc/95/22/26/1042952226.db2.gz HTUMISMEHAOZKG-NWDGAFQWSA-N -1 0 342.534 3.659 20 0 EHADRM CC(C)(CC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC000653331648 1042967770 /nfs/dbraw/zinc/96/77/70/1042967770.db2.gz UUFRZLMPVSCRBK-QZTJIDSGSA-N -1 0 337.419 3.784 20 0 EHADRM CCc1ncc(S(=O)(=O)[N-]c2cnccc2-c2ccccc2)s1 ZINC000432346690 1042982581 /nfs/dbraw/zinc/98/25/81/1042982581.db2.gz MESJBQZSUJTQLL-UHFFFAOYSA-N -1 0 345.449 3.568 20 0 EHADRM CCC(CC)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000431802672 1042997517 /nfs/dbraw/zinc/99/75/17/1042997517.db2.gz YFXADVNTCHVURN-AWEZNQCLSA-N -1 0 329.799 3.937 20 0 EHADRM O=C([O-])CC1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 ZINC000317636026 1043005758 /nfs/dbraw/zinc/00/57/58/1043005758.db2.gz JMLNJTPGGARXMD-UHFFFAOYSA-N -1 0 337.828 3.882 20 0 EHADRM CSc1ccc(C)c(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000322208616 1043018875 /nfs/dbraw/zinc/01/88/75/1043018875.db2.gz VCWYNCAFNQPRNS-ZDUSSCGKSA-N -1 0 335.469 3.680 20 0 EHADRM CC(C)c1cccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000324439268 1043299253 /nfs/dbraw/zinc/29/92/53/1043299253.db2.gz BJGZOLHUNBDHNO-KRWDZBQOSA-N -1 0 326.396 3.627 20 0 EHADRM O=S(=O)([N-]c1nc(/C=C/c2ccccc2)cs1)c1cccnc1 ZINC000344237182 1043500033 /nfs/dbraw/zinc/50/00/33/1043500033.db2.gz AUEDIRLFBIYTFO-CMDGGOBGSA-N -1 0 343.433 3.509 20 0 EHADRM CCC[C@H](C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC000653335530 1043741297 /nfs/dbraw/zinc/74/12/97/1043741297.db2.gz RBBXMHBSZNPRCI-ZYSHUDEJSA-N -1 0 337.419 4.000 20 0 EHADRM C[C@H](NC(=O)CC1(C(=O)[O-])CCCCC1)c1ccc(F)cc1F ZINC000320046480 1043867519 /nfs/dbraw/zinc/86/75/19/1043867519.db2.gz RUGKZWJGFDXIAH-NSHDSACASA-N -1 0 325.355 3.567 20 0 EHADRM CC(C)Oc1ccc(C(=O)NCC2(CC(=O)[O-])CCCCC2)cc1 ZINC000324688118 1044543799 /nfs/dbraw/zinc/54/37/99/1044543799.db2.gz LOPHIXOKXPQCDA-UHFFFAOYSA-N -1 0 333.428 3.629 20 0 EHADRM Cc1ccc(CCC(=O)NCCc2cccc(C(=O)[O-])c2)cc1Cl ZINC000324926520 1044797968 /nfs/dbraw/zinc/79/79/68/1044797968.db2.gz MMBXKTUQOASBRA-UHFFFAOYSA-N -1 0 345.826 3.638 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)c2cc3ccc(F)cc3s2)s1 ZINC000620648396 1125620618 /nfs/dbraw/zinc/62/06/18/1125620618.db2.gz XDZSVPTVDSFSOI-UHFFFAOYSA-N -1 0 335.429 3.765 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CC[C@@H](Cc2ccccc2)C1 ZINC000153947603 1125677738 /nfs/dbraw/zinc/67/77/38/1125677738.db2.gz MQTAXSMEMHPTTK-ZDUSSCGKSA-N -1 0 333.790 3.890 20 0 EHADRM [O-]c1cc(Cl)ccc1-c1nc(-c2ccc(-c3nnco3)cc2)no1 ZINC000350779098 1127101470 /nfs/dbraw/zinc/10/14/70/1127101470.db2.gz ULMPTLRDWCTLMQ-UHFFFAOYSA-N -1 0 340.726 3.813 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C)c2Cl)cc1C ZINC000180006085 1127109119 /nfs/dbraw/zinc/10/91/19/1127109119.db2.gz JQGYMIUFSIINGN-UHFFFAOYSA-N -1 0 337.828 3.960 20 0 EHADRM O=C(NNc1c(Cl)cc(F)cc1Cl)c1c([O-])cccc1F ZINC000185898106 1127195158 /nfs/dbraw/zinc/19/51/58/1127195158.db2.gz FZMRPAWOLYMOBB-UHFFFAOYSA-N -1 0 333.121 3.734 20 0 EHADRM O=S(=O)([N-]c1nccc2sccc21)c1ccc(Cl)s1 ZINC000182022349 1127308869 /nfs/dbraw/zinc/30/88/69/1127308869.db2.gz ZDVXGIPFGKAKKZ-UHFFFAOYSA-N -1 0 330.843 3.812 20 0 EHADRM O=C(N[C@H](c1ccccc1)c1cc(Cl)ccc1Cl)c1cn[nH]n1 ZINC000182180431 1127315609 /nfs/dbraw/zinc/31/56/09/1127315609.db2.gz AEWJANRGALVVDM-OAHLLOKOSA-N -1 0 347.205 3.631 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2O)cc1C(F)(F)F ZINC000182471345 1127331241 /nfs/dbraw/zinc/33/12/41/1127331241.db2.gz IBILXYNMVAXSFS-UHFFFAOYSA-N -1 0 345.342 3.829 20 0 EHADRM CC[C@@H](C)CS(=O)(=O)[N-][C@H](c1cccc(F)c1F)C(F)(F)F ZINC000182874841 1127352047 /nfs/dbraw/zinc/35/20/47/1127352047.db2.gz GBEVDWFNDITCDA-PRHODGIISA-N -1 0 345.333 3.534 20 0 EHADRM CC[C@@H]([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)C(C)(C)c1ccccc1 ZINC000184569693 1127408884 /nfs/dbraw/zinc/40/88/84/1127408884.db2.gz OOBLEPNXSMMUFP-WCQYABFASA-N -1 0 337.407 3.613 20 0 EHADRM CC(C)c1ccc(S(=O)(=O)[N-]c2nnc(CC(C)(C)C)o2)cc1 ZINC000194866720 1127468674 /nfs/dbraw/zinc/46/86/74/1127468674.db2.gz LLVMLBYAOIVFCL-UHFFFAOYSA-N -1 0 337.445 3.582 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)F)cc1C ZINC000003581629 1127610463 /nfs/dbraw/zinc/61/04/63/1127610463.db2.gz SYTZVNFHGQPSED-UHFFFAOYSA-N -1 0 327.352 3.706 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)Nc1cccc(C(F)F)c1 ZINC000386321136 1127662491 /nfs/dbraw/zinc/66/24/91/1127662491.db2.gz NMVCZXOVZQMAIX-HNNXBMFYSA-N -1 0 346.333 3.840 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Nc2ccc(Br)cc2)cc1 ZINC000040550527 1127685626 /nfs/dbraw/zinc/68/56/26/1127685626.db2.gz ORTYHADDMZRWLP-UHFFFAOYSA-N -1 0 335.157 3.791 20 0 EHADRM CCCCOc1ccc(CN=c2[n-]nc([C@H]3CCCO3)s2)cc1 ZINC000630962240 1127765711 /nfs/dbraw/zinc/76/57/11/1127765711.db2.gz XMHJTSKZIQGYJU-OAHLLOKOSA-N -1 0 333.457 3.603 20 0 EHADRM CCN(Cc1cccc(NC(=O)c2cc(Cl)ccc2[O-])c1)C(C)=O ZINC000031589831 1127837069 /nfs/dbraw/zinc/83/70/69/1127837069.db2.gz ZQFNHQPDCRWSMV-UHFFFAOYSA-N -1 0 346.814 3.666 20 0 EHADRM O=C(Nc1cccc(Oc2cnccn2)c1)c1cc(Cl)ccc1[O-] ZINC000046620255 1127984526 /nfs/dbraw/zinc/98/45/26/1127984526.db2.gz JCTOFTDPGXDYPD-UHFFFAOYSA-N -1 0 341.754 3.880 20 0 EHADRM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000472783504 1128012103 /nfs/dbraw/zinc/01/21/03/1128012103.db2.gz GACOUIXRVLZWBZ-UHFFFAOYSA-N -1 0 344.358 3.772 20 0 EHADRM CCN(C(=O)c1nc2ccccc2c(=O)[nH]1)[C@H](C)c1ccc(F)cc1 ZINC000066888862 1128229712 /nfs/dbraw/zinc/22/97/12/1128229712.db2.gz ONXJNZJIOYPSBH-GFCCVEGCSA-N -1 0 339.370 3.698 20 0 EHADRM Cc1cc(C(=O)[N-]S(=O)(=O)CC2CC2)c(C)n1C1CCCCC1 ZINC000073537816 1128395724 /nfs/dbraw/zinc/39/57/24/1128395724.db2.gz BMWIXGSBUQBUSU-UHFFFAOYSA-N -1 0 338.473 3.655 20 0 EHADRM Cc1cccc(O)c1C(=O)Nc1ccccc1OC[C@H]1CCCCO1 ZINC000624573713 1128396186 /nfs/dbraw/zinc/39/61/86/1128396186.db2.gz NTMRXBDGUIBQNX-OAHLLOKOSA-N -1 0 341.407 3.901 20 0 EHADRM CC(C)Cc1ccc(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)cc1 ZINC000671855357 1128426686 /nfs/dbraw/zinc/42/66/86/1128426686.db2.gz PSVUEBOJKYSARO-UHFFFAOYSA-N -1 0 336.395 3.628 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2F)cnc1Cl ZINC000085235535 1128429278 /nfs/dbraw/zinc/42/92/78/1128429278.db2.gz IMXMARFFCPSCJL-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM C[C@@H](N=c1[n-]nc(C2CCOCC2)s1)c1c(F)cccc1Cl ZINC000338681704 1128515557 /nfs/dbraw/zinc/51/55/57/1128515557.db2.gz SFFNOVRHEHQWLT-SECBINFHSA-N -1 0 341.839 3.820 20 0 EHADRM COCc1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1Cl ZINC000055595207 1128524943 /nfs/dbraw/zinc/52/49/43/1128524943.db2.gz TUKBKYQBXUCJDK-UHFFFAOYSA-N -1 0 325.817 3.596 20 0 EHADRM CC(C)c1ccc(S(=O)(=O)[N-]c2cccc3c2OCCC3=O)cc1 ZINC000542793319 1128631571 /nfs/dbraw/zinc/63/15/71/1128631571.db2.gz RUOFDIIFUZWZEA-UHFFFAOYSA-N -1 0 345.420 3.576 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)c(F)c1 ZINC000404988130 1128704919 /nfs/dbraw/zinc/70/49/19/1128704919.db2.gz RIWUDWQZJURFJA-UHFFFAOYSA-N -1 0 344.205 3.697 20 0 EHADRM COc1cccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000007052959 1128845767 /nfs/dbraw/zinc/84/57/67/1128845767.db2.gz AUWGHWFCWILISK-UHFFFAOYSA-N -1 0 331.315 3.515 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cc1)c1csc(-c2ccccc2)n1 ZINC000499495169 1128872168 /nfs/dbraw/zinc/87/21/68/1128872168.db2.gz PAXKBWNDGPFGSK-UHFFFAOYSA-N -1 0 334.397 3.750 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)N(C)CCC3CCCCC3)cc2=O)cc1 ZINC000172739162 1128893269 /nfs/dbraw/zinc/89/32/69/1128893269.db2.gz RMIPSTNPAMRSIY-UHFFFAOYSA-N -1 0 341.455 3.516 20 0 EHADRM O=S(=O)([N-]c1cccc(F)c1)c1csc(-c2ccccc2)n1 ZINC000499508132 1128898055 /nfs/dbraw/zinc/89/80/55/1128898055.db2.gz VGMZUJMCKFDSFC-UHFFFAOYSA-N -1 0 334.397 3.750 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)c1F ZINC000180521033 1120311480 /nfs/dbraw/zinc/31/14/80/1120311480.db2.gz HRGSQKHFBQOTMT-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c1 ZINC000185162647 1120402504 /nfs/dbraw/zinc/40/25/04/1120402504.db2.gz XIUMGURXUPRUKC-UHFFFAOYSA-N -1 0 336.413 3.830 20 0 EHADRM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3c(C)cccc3F)cc2)o1 ZINC000186931284 1120481069 /nfs/dbraw/zinc/48/10/69/1120481069.db2.gz BIQPFYQKSGVQSK-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM Cc1occc1S([O-])=CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000189608249 1120599914 /nfs/dbraw/zinc/59/99/14/1120599914.db2.gz SRECYDBGBWVHTC-HSZRJFAPSA-N -1 0 333.453 3.523 20 0 EHADRM CC(C)(CC(=O)Nc1cc(Cl)ccc1OCC1CCC1)C(=O)[O-] ZINC000191700350 1120688581 /nfs/dbraw/zinc/68/85/81/1120688581.db2.gz QETZDNZTMCRMEN-UHFFFAOYSA-N -1 0 339.819 3.958 20 0 EHADRM CO[C@@H](C)CS(=O)(=O)[N-]c1ccccc1O[C@H](C)c1ccccc1 ZINC000193328441 1120771295 /nfs/dbraw/zinc/77/12/95/1120771295.db2.gz RWPDOWQNLIWYSR-LSDHHAIUSA-N -1 0 349.452 3.603 20 0 EHADRM O=C(NC[C@@H]1CCCc2ccccc21)c1cc(F)c(F)c([O-])c1F ZINC000193924922 1120808317 /nfs/dbraw/zinc/80/83/17/1120808317.db2.gz PFMYOKYBLMGEKZ-NSHDSACASA-N -1 0 335.325 3.659 20 0 EHADRM COc1cccc(CNc2cc(Br)cc(C(=O)[O-])c2)c1 ZINC000227668993 1120902870 /nfs/dbraw/zinc/90/28/70/1120902870.db2.gz PMWRTFPKWIZNNY-UHFFFAOYSA-N -1 0 336.185 3.768 20 0 EHADRM Cc1ccc(-c2cnnc([N-][C@H](c3ccccn3)C(F)(F)F)n2)cc1 ZINC001168476129 1120939280 /nfs/dbraw/zinc/93/92/80/1120939280.db2.gz BZZPSUNTNNZSCB-OAHLLOKOSA-N -1 0 345.328 3.958 20 0 EHADRM CSCc1cccc([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)c1 ZINC000761954925 1121016310 /nfs/dbraw/zinc/01/63/10/1121016310.db2.gz WWDGJURZXWPTRR-UHFFFAOYSA-N -1 0 346.836 3.538 20 0 EHADRM O=S(=O)([N-]c1scnc1C1CC1)C1=Cc2ccccc2CC1 ZINC000762477434 1121320569 /nfs/dbraw/zinc/32/05/69/1121320569.db2.gz YAVMPBNSCOPSPJ-UHFFFAOYSA-N -1 0 332.450 3.750 20 0 EHADRM O=S(=O)([N-]c1cnccc1-c1ccccc1)c1ccc(Cl)nc1 ZINC000762499966 1121328176 /nfs/dbraw/zinc/32/81/76/1121328176.db2.gz BCXYMZABNYDQTF-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM Cc1cc(NC(=O)COc2cccc(C(C)C)c2)ccc1C(=O)[O-] ZINC000236797457 1121463366 /nfs/dbraw/zinc/46/33/66/1121463366.db2.gz DJQXFDJCTDUUGC-UHFFFAOYSA-N -1 0 327.380 3.834 20 0 EHADRM CCc1ccc(CNC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)s1 ZINC000237174936 1121476149 /nfs/dbraw/zinc/47/61/49/1121476149.db2.gz UWGGZWCICHVTKO-GOSISDBHSA-N -1 0 337.485 3.988 20 0 EHADRM Cc1nc(C(C)(C)NC(=O)/C=C/c2ccc(C(=O)[O-])cc2)sc1C ZINC000237598977 1121489322 /nfs/dbraw/zinc/48/93/22/1121489322.db2.gz UULCAKSKPBKLHL-JXMROGBWSA-N -1 0 344.436 3.523 20 0 EHADRM Cc1ccc(SCCC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000237765426 1121493752 /nfs/dbraw/zinc/49/37/52/1121493752.db2.gz XMWBFALZPSZKAP-OAHLLOKOSA-N -1 0 335.469 3.723 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)NCC(C)(C)C(=O)[O-])c(F)c2)cc1C ZINC000237800069 1121494951 /nfs/dbraw/zinc/49/49/51/1121494951.db2.gz UFZPTZGJJAVCLD-UHFFFAOYSA-N -1 0 343.398 3.950 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cc(F)c(Cl)cc1Cl ZINC000237992230 1121500229 /nfs/dbraw/zinc/50/02/29/1121500229.db2.gz OABWIRNWBXYISL-SECBINFHSA-N -1 0 348.201 3.992 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)/C=C/c1ccc(C(F)(F)F)cc1 ZINC000238089355 1121502706 /nfs/dbraw/zinc/50/27/06/1121502706.db2.gz PJJRTUDYZZVOLV-JXMROGBWSA-N -1 0 349.308 3.984 20 0 EHADRM Cc1ccc(-c2[n-][nH]c(=NC(=O)[C@@]3(C)CCc4ccccc43)c2C)o1 ZINC000648929251 1121928365 /nfs/dbraw/zinc/92/83/65/1121928365.db2.gz YMKWWQBFVCBRNR-FQEVSTJZSA-N -1 0 335.407 3.551 20 0 EHADRM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000328247628 1122129244 /nfs/dbraw/zinc/12/92/44/1122129244.db2.gz BHJZICUIAKFQJJ-LFEHRJTNSA-N -1 0 341.451 3.631 20 0 EHADRM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000328247626 1122129788 /nfs/dbraw/zinc/12/97/88/1122129788.db2.gz BHJZICUIAKFQJJ-BVYOLEPJSA-N -1 0 341.451 3.631 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@H](C)CC(C)(C)C)cc1C ZINC000916655111 1122244384 /nfs/dbraw/zinc/24/43/84/1122244384.db2.gz QKQMCHCLGJSTOR-LBPRGKRZSA-N -1 0 325.474 3.571 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H](C)CC(C)(C)C)cc1C ZINC000916655110 1122244858 /nfs/dbraw/zinc/24/48/58/1122244858.db2.gz QKQMCHCLGJSTOR-GFCCVEGCSA-N -1 0 325.474 3.571 20 0 EHADRM CN(Cc1ccco1)C(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000124064717 1122273968 /nfs/dbraw/zinc/27/39/68/1122273968.db2.gz PQPCWASCPJOUQP-UHFFFAOYSA-N -1 0 344.592 3.673 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)CC2CCC(F)(F)CC2)C1 ZINC000630155878 1122558440 /nfs/dbraw/zinc/55/84/40/1122558440.db2.gz CXRPKYZWQKXREO-CYBMUJFWSA-N -1 0 331.403 3.551 20 0 EHADRM O=C([O-])c1cnc(C=Cc2sc3ccccc3c2Cl)[nH]c1=O ZINC000670370074 1122580975 /nfs/dbraw/zinc/58/09/75/1122580975.db2.gz VEAQYGXAALRWDE-WAYWQWQTSA-N -1 0 332.768 3.919 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c(C)n1 ZINC000128750394 1122660472 /nfs/dbraw/zinc/66/04/72/1122660472.db2.gz PVSUSJMVQAOORB-UHFFFAOYSA-N -1 0 337.253 3.868 20 0 EHADRM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)C(C)(C)C ZINC000917876553 1122702757 /nfs/dbraw/zinc/70/27/57/1122702757.db2.gz LDLVQAWVVXBCQQ-LBPRGKRZSA-N -1 0 341.473 3.563 20 0 EHADRM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)[C@H](C)C(C)(C)C ZINC000917876552 1122702677 /nfs/dbraw/zinc/70/26/77/1122702677.db2.gz LDLVQAWVVXBCQQ-GFCCVEGCSA-N -1 0 341.473 3.563 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)[N-]S(=O)(=O)c1c(F)cccc1F ZINC000917899969 1122704699 /nfs/dbraw/zinc/70/46/99/1122704699.db2.gz AOUIRADVALTKEV-JTQLQIEISA-N -1 0 345.798 3.528 20 0 EHADRM CC1(C)CCC(NC(=O)N=c2[n-]nc(-c3ccsc3)s2)CC1 ZINC000466005104 1129076936 /nfs/dbraw/zinc/07/69/36/1129076936.db2.gz FUCXUAMDXLLGPC-UHFFFAOYSA-N -1 0 336.486 3.779 20 0 EHADRM O=S(=O)([N-]c1cc(F)ccc1O)c1cc(Cl)ccc1Cl ZINC000070332969 1122866938 /nfs/dbraw/zinc/86/69/38/1122866938.db2.gz DTZHTZWTYPAPHD-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2n[nH]c(CC)c2C)c1 ZINC000556302541 1122919019 /nfs/dbraw/zinc/91/90/19/1122919019.db2.gz IZNFOXDYEKNWAL-UHFFFAOYSA-N -1 0 341.864 3.687 20 0 EHADRM Cc1ccccc1-n1nccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000073840605 1123223987 /nfs/dbraw/zinc/22/39/87/1123223987.db2.gz JNGNKDGWKJTVHN-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM CCC(CC)(CC(=O)N[C@H](C[C@H]1CCOC1)c1ccccc1)C(=O)[O-] ZINC000133176266 1123355777 /nfs/dbraw/zinc/35/57/77/1123355777.db2.gz ZDNOMBIGHBSQSD-NVXWUHKLSA-N -1 0 347.455 3.552 20 0 EHADRM Cc1ccccc1CC(C)(C)NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000649243015 1123362730 /nfs/dbraw/zinc/36/27/30/1123362730.db2.gz SJMDSJRFVNCLAC-UHFFFAOYSA-N -1 0 331.456 3.713 20 0 EHADRM Cc1cnc(-c2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)nc1 ZINC000133667123 1123412613 /nfs/dbraw/zinc/41/26/13/1123412613.db2.gz JSTFYSUTOKLQSI-UHFFFAOYSA-N -1 0 338.367 3.556 20 0 EHADRM C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F)CC(C)(C)C ZINC000920791798 1123424348 /nfs/dbraw/zinc/42/43/48/1123424348.db2.gz BUWIFGFNWOGMEN-SNVBAGLBSA-N -1 0 349.855 3.746 20 0 EHADRM CC1(Cc2noc(-c3nc[n-]c3C(=O)c3ccccc3)n2)CCCC1 ZINC000347476983 1123449889 /nfs/dbraw/zinc/44/98/89/1123449889.db2.gz COAVRAFHZHOJAN-UHFFFAOYSA-N -1 0 336.395 3.814 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCOC2(CCC2)C1 ZINC000134160138 1123497387 /nfs/dbraw/zinc/49/73/87/1123497387.db2.gz PXXBSMZHGBLRGK-UHFFFAOYSA-N -1 0 331.799 3.594 20 0 EHADRM Cc1cccc(CC(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000237623209 1123528094 /nfs/dbraw/zinc/52/80/94/1123528094.db2.gz QVOTVYUWKWWTMP-MRXNPFEDSA-N -1 0 349.789 3.662 20 0 EHADRM COc1cccc(C[C@@H]2CCCN2C(=O)c2c([O-])cc(F)cc2F)c1 ZINC000066048459 1129127721 /nfs/dbraw/zinc/12/77/21/1129127721.db2.gz TUTNYMAGPFBYFV-AWEZNQCLSA-N -1 0 347.361 3.526 20 0 EHADRM Cc1cc(NC(=O)CCc2cn(C)c3ccccc23)ccc1C(=O)[O-] ZINC000237800177 1123539871 /nfs/dbraw/zinc/53/98/71/1123539871.db2.gz QUNVEKKPFYWDSR-UHFFFAOYSA-N -1 0 336.391 3.756 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCc1cccc(Cl)c1)c1ccc(F)cc1 ZINC000238114780 1123562388 /nfs/dbraw/zinc/56/23/88/1123562388.db2.gz AFRVTTRIYVRADX-MRXNPFEDSA-N -1 0 349.789 3.744 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)Cc3ccc(F)cc3)ccc2s1 ZINC000238208289 1123570912 /nfs/dbraw/zinc/57/09/12/1123570912.db2.gz QTIHVYQGNPTLFA-UHFFFAOYSA-N -1 0 329.352 3.920 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)[C@H]2C[C@H]2c2c(F)cccc2Cl)c1 ZINC000238217278 1123571621 /nfs/dbraw/zinc/57/16/21/1123571621.db2.gz RKSIOELHESJMQT-OLZOCXBDSA-N -1 0 347.773 3.597 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)cc1 ZINC000135504844 1123622809 /nfs/dbraw/zinc/62/28/09/1123622809.db2.gz MMECKNXQLYHAGL-UHFFFAOYSA-N -1 0 337.351 3.610 20 0 EHADRM CC1(C)CN(C(=O)c2[n-]cnc2C(=O)c2ccccc2)c2ccccc21 ZINC000672991906 1129137449 /nfs/dbraw/zinc/13/74/49/1129137449.db2.gz CHRRTBYZBVNFSW-UHFFFAOYSA-N -1 0 345.402 3.579 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(C)C2CCC(C)CC2)n1 ZINC000080505001 1123755908 /nfs/dbraw/zinc/75/59/08/1123755908.db2.gz DQBLBUNGJYSJDQ-UHFFFAOYSA-N -1 0 345.418 3.676 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000615283432 1123772505 /nfs/dbraw/zinc/77/25/05/1123772505.db2.gz VARFMOLMBDFTJS-HNNXBMFYSA-N -1 0 343.427 3.849 20 0 EHADRM Cc1nc([C@H](C)NC(=O)CC(C)(C)c2ccccc2)sc1C(=O)[O-] ZINC000237572357 1123778279 /nfs/dbraw/zinc/77/82/79/1123778279.db2.gz LNRDADZJHBZNJS-LBPRGKRZSA-N -1 0 346.452 3.695 20 0 EHADRM CSc1ccc(O)c(C(=O)Nc2ccc([C@H]3CCOC3)cc2)c1 ZINC000615375899 1123787898 /nfs/dbraw/zinc/78/78/98/1123787898.db2.gz PRBDHZHCYHJZEQ-ZDUSSCGKSA-N -1 0 329.421 3.870 20 0 EHADRM O=S(=O)([N-]C1(c2ccccc2Cl)CC1)c1c(F)cccc1F ZINC001212273148 1123862000 /nfs/dbraw/zinc/86/20/00/1123862000.db2.gz WCGYZNYENYTUKY-UHFFFAOYSA-N -1 0 343.782 3.586 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000237928602 1123919057 /nfs/dbraw/zinc/91/90/57/1123919057.db2.gz DFRNQAIWALRICV-LBPRGKRZSA-N -1 0 344.238 3.782 20 0 EHADRM Cc1ccc(-c2[n-][nH]c(=NC(=O)C(C)(C)CC(F)(F)F)c2C)o1 ZINC000616251161 1123969699 /nfs/dbraw/zinc/96/96/99/1123969699.db2.gz MBLJCCNFNMCNJK-UHFFFAOYSA-N -1 0 329.322 3.626 20 0 EHADRM CC1(C)C[C@@H](c2ccccc2)N(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC000616424829 1123999844 /nfs/dbraw/zinc/99/98/44/1123999844.db2.gz MMJUJJILTLMQFP-AWEZNQCLSA-N -1 0 337.379 3.542 20 0 EHADRM C[C@@H](CC(=O)Nc1cc(C#N)ccc1[O-])C(=O)c1ccc(Cl)cc1 ZINC000180886080 1124093498 /nfs/dbraw/zinc/09/34/98/1124093498.db2.gz CJXBKQPYDWFVQJ-NSHDSACASA-N -1 0 342.782 3.765 20 0 EHADRM CC[C@@H](C)[C@H](C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)c1ccccc1 ZINC000543065093 1129178937 /nfs/dbraw/zinc/17/89/37/1129178937.db2.gz WAMZBWJUSJNGPZ-HSSOGYSNSA-N -1 0 329.440 3.530 20 0 EHADRM C[C@@H]1CCC[C@@H](CCNC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)C1 ZINC000734558434 1131249153 /nfs/dbraw/zinc/24/91/53/1131249153.db2.gz UMILSXBJZXBFJQ-NEPJUHHUSA-N -1 0 345.468 3.570 20 0 EHADRM COc1ccccc1[C@@H](CC(C)C)NC(=O)C1CCC(C(=O)[O-])CC1 ZINC000263571497 1124538419 /nfs/dbraw/zinc/53/84/19/1124538419.db2.gz JLRHHFNDUUVKCE-VMBOVVBDSA-N -1 0 347.455 3.790 20 0 EHADRM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)[C@@H](C)C(C)(C)C ZINC000734704212 1131268412 /nfs/dbraw/zinc/26/84/12/1131268412.db2.gz URGMELYOEHUVTG-CYBMUJFWSA-N -1 0 339.501 3.780 20 0 EHADRM CC(=O)c1cc(F)c(NC(=O)c2cccc(Cl)c2[O-])c(F)c1 ZINC001127617655 1124591320 /nfs/dbraw/zinc/59/13/20/1124591320.db2.gz MWTAJJDXQFARCF-UHFFFAOYSA-N -1 0 325.698 3.779 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cc3ccccc3o2)c(C)c1 ZINC000084920290 1124604913 /nfs/dbraw/zinc/60/49/13/1124604913.db2.gz IVNPJOCEGFXVDD-UHFFFAOYSA-N -1 0 331.393 3.941 20 0 EHADRM CCOC(=O)c1nc(NC(=O)c2sc3cccc(F)c3c2C)c[nH]1 ZINC000617873581 1124817153 /nfs/dbraw/zinc/81/71/53/1124817153.db2.gz DDOTWHSNQZXKSE-UHFFFAOYSA-N -1 0 347.371 3.501 20 0 EHADRM CC(C)(C(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000069625876 1124952499 /nfs/dbraw/zinc/95/24/99/1124952499.db2.gz IYZVYXBYJGFDHF-UHFFFAOYSA-N -1 0 339.363 3.588 20 0 EHADRM N#CC(=C([O-])c1ccc(Cn2cccn2)o1)c1nc2ccccc2s1 ZINC000069833559 1125077400 /nfs/dbraw/zinc/07/74/00/1125077400.db2.gz PFDSMOKYZKHXFP-CYBMUJFWSA-N -1 0 348.387 3.624 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1ncccc1-c1ccccc1 ZINC000092389239 1125095813 /nfs/dbraw/zinc/09/58/13/1125095813.db2.gz DGXGLHDLDOXKJI-UHFFFAOYSA-N -1 0 340.404 3.558 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2cccc(Cl)c2)s1 ZINC000070030703 1125162629 /nfs/dbraw/zinc/16/26/29/1125162629.db2.gz BMPAFIUQZNRQHC-UHFFFAOYSA-N -1 0 329.830 3.598 20 0 EHADRM Cc1ccc(CC2CN(C(=O)c3cc(F)c([O-])c(Cl)c3)C2)cc1 ZINC000618889068 1125228964 /nfs/dbraw/zinc/22/89/64/1125228964.db2.gz GMMVRJVBKAHMPN-UHFFFAOYSA-N -1 0 333.790 3.808 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C[C@H](C)O1 ZINC000619118821 1125287864 /nfs/dbraw/zinc/28/78/64/1125287864.db2.gz XQQXODKVCAKHFL-NEPJUHHUSA-N -1 0 333.815 3.838 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N2CC(C)(C)[C@@H]2c2ccccc2)s1 ZINC000619274390 1125329046 /nfs/dbraw/zinc/32/90/46/1125329046.db2.gz IJBDTPGKEHVAHE-HNNXBMFYSA-N -1 0 344.484 3.918 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N2CC(C)(C)[C@H]2c2ccccc2)s1 ZINC000619274395 1125329077 /nfs/dbraw/zinc/32/90/77/1125329077.db2.gz IJBDTPGKEHVAHE-OAHLLOKOSA-N -1 0 344.484 3.918 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(Oc3ccccc3)cc2)CC[C@@H]1C(=O)[O-] ZINC000262238383 1125415727 /nfs/dbraw/zinc/41/57/27/1125415727.db2.gz OUZHSCWZEAULII-KSSFIOAISA-N -1 0 339.391 3.662 20 0 EHADRM CCO[C@@H](C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccccc1 ZINC000619902025 1125422063 /nfs/dbraw/zinc/42/20/63/1125422063.db2.gz ZYARKVSKSWJGAH-OAHLLOKOSA-N -1 0 333.771 3.755 20 0 EHADRM CCCN(Cc1ccc(C)cc1)C(=O)N=c1[n-]nc(C(F)F)s1 ZINC000619932271 1125433138 /nfs/dbraw/zinc/43/31/38/1125433138.db2.gz OBGUIZSGBUCAAJ-UHFFFAOYSA-N -1 0 340.399 3.650 20 0 EHADRM COc1ccccc1N=c1[n-]nc(S[C@@H](C)c2ccncc2)s1 ZINC000619950302 1125442504 /nfs/dbraw/zinc/44/25/04/1125442504.db2.gz OBWWPESHGWBWBI-NSHDSACASA-N -1 0 344.465 3.961 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccsc2)s1)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000466092819 1129184472 /nfs/dbraw/zinc/18/44/72/1129184472.db2.gz BDZSZBKJMVXLEW-CHWSQXEVSA-N -1 0 348.497 3.779 20 0 EHADRM Cc1cccc(CNC(=O)c2ccc(O)c(F)c2)c1Br ZINC000682558896 1129226151 /nfs/dbraw/zinc/22/61/51/1129226151.db2.gz LMCXDSAHYNBEOH-UHFFFAOYSA-N -1 0 338.176 3.532 20 0 EHADRM CC(C)[C@H](CNC(=O)c1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000478822351 1129274210 /nfs/dbraw/zinc/27/42/10/1129274210.db2.gz PMYOXXFVOILQFU-INIZCTEOSA-N -1 0 329.371 3.694 20 0 EHADRM C[C@H]1C[C@@H](C(=O)Nc2cc(Cl)cc(Br)c2[O-])CCO1 ZINC000272066699 1129403596 /nfs/dbraw/zinc/40/35/96/1129403596.db2.gz OMHPUYVSVWZVJM-YUMQZZPRSA-N -1 0 348.624 3.562 20 0 EHADRM COc1cc(C)ccc1CNC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1 ZINC000466436154 1129445338 /nfs/dbraw/zinc/44/53/38/1129445338.db2.gz FKZXYYQONWODCS-HXUWFJFHSA-N -1 0 347.455 3.681 20 0 EHADRM O=C([O-])CN(Cc1ccc(OCc2ccncc2)cc1)c1ccccc1 ZINC000543447687 1129494713 /nfs/dbraw/zinc/49/47/13/1129494713.db2.gz UVUYASNXYUFRMB-UHFFFAOYSA-N -1 0 348.402 3.752 20 0 EHADRM C[C@@H]1CN(C(=O)CCCc2ccc(C(C)(C)C)cc2)CC[C@H]1C(=O)[O-] ZINC000449002108 1129601465 /nfs/dbraw/zinc/60/14/65/1129601465.db2.gz LZGUUHZZFVASQD-CRAIPNDOSA-N -1 0 345.483 3.876 20 0 EHADRM Cc1noc(=NCc2ccc(-c3ccccc3Br)cc2)[n-]1 ZINC000509043342 1129692985 /nfs/dbraw/zinc/69/29/85/1129692985.db2.gz HMHGGRNWLUMKSD-UHFFFAOYSA-N -1 0 344.212 3.842 20 0 EHADRM CCNC(=O)c1ccc(NC(=O)c2cc3ccccc3cc2O)c(C)c1 ZINC000097014121 1129754662 /nfs/dbraw/zinc/75/46/62/1129754662.db2.gz GZYLXIIEOHNPOD-UHFFFAOYSA-N -1 0 348.402 3.856 20 0 EHADRM CC(C)c1n[n-]c(=NCc2cn(-c3ccccc3)nc2C(C)C)o1 ZINC000347807606 1129841181 /nfs/dbraw/zinc/84/11/81/1129841181.db2.gz DMYFBNWKAUMPSL-UHFFFAOYSA-N -1 0 325.416 3.536 20 0 EHADRM CCCc1n[n-]c(=NCc2ccc(OC(F)F)c(OCC)c2)s1 ZINC000347810766 1129854554 /nfs/dbraw/zinc/85/45/54/1129854554.db2.gz IFDKFFNQFCIQOA-UHFFFAOYSA-N -1 0 343.399 3.525 20 0 EHADRM C[C@@H]1CCc2nc(CN=c3[n-]nc(C4CCCCC4)o3)sc2C1 ZINC000347819981 1129875813 /nfs/dbraw/zinc/87/58/13/1129875813.db2.gz RVUFUENNMLVMNN-LLVKDONJSA-N -1 0 332.473 3.733 20 0 EHADRM CC(C)c1nc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)c[nH]1 ZINC000673883716 1129894705 /nfs/dbraw/zinc/89/47/05/1129894705.db2.gz SQCNOKYGFAIQPY-UHFFFAOYSA-N -1 0 349.456 3.655 20 0 EHADRM O=C(Nc1ncc(Cl)s1)c1cc(Br)ccc1O ZINC000673916700 1129904578 /nfs/dbraw/zinc/90/45/78/1129904578.db2.gz URIDJHCPNJUPNE-UHFFFAOYSA-N -1 0 333.594 3.517 20 0 EHADRM Nc1cc(Cl)c(Cl)nc1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212512612 1129920601 /nfs/dbraw/zinc/92/06/01/1129920601.db2.gz VIVMCJMLBWSBFC-UHFFFAOYSA-N -1 0 334.109 3.691 20 0 EHADRM O=C([O-])c1ccc(Nc2cnc3cc(C4CCC4)nn3c2)c(F)c1F ZINC001212512297 1129920626 /nfs/dbraw/zinc/92/06/26/1129920626.db2.gz GHUDBLWQYIKRQN-UHFFFAOYSA-N -1 0 344.321 3.717 20 0 EHADRM CCOC(=O)c1ccc(F)cc1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212514519 1129926661 /nfs/dbraw/zinc/92/66/61/1129926661.db2.gz XIEFIPHGFXJOTA-UHFFFAOYSA-N -1 0 339.269 3.722 20 0 EHADRM CC1(C)COC(c2ccc(Nc3ccc(C(=O)[O-])c(F)c3F)cc2)=N1 ZINC001212515656 1129929438 /nfs/dbraw/zinc/92/94/38/1129929438.db2.gz IGPNTMSTXKSMKD-UHFFFAOYSA-N -1 0 346.333 3.962 20 0 EHADRM CCOc1ccc(N(CC)C(=O)c2cc(F)c(F)c([O-])c2F)cc1 ZINC000543537836 1129952509 /nfs/dbraw/zinc/95/25/09/1129952509.db2.gz YPHTUCDCIQKFPS-UHFFFAOYSA-N -1 0 339.313 3.875 20 0 EHADRM C/C(=C\C(C)(C)C)C(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000186976195 1129962759 /nfs/dbraw/zinc/96/27/59/1129962759.db2.gz GKRCTIUPAGXHAY-MDZDMXLPSA-N -1 0 349.374 3.503 20 0 EHADRM c1cc(Cc2n[n-]c(=NCc3cccc(-c4cccnc4)c3)o2)cs1 ZINC000347882018 1129974639 /nfs/dbraw/zinc/97/46/39/1129974639.db2.gz BDLJWQAQYOUZPI-UHFFFAOYSA-N -1 0 348.431 3.818 20 0 EHADRM COc1ccc(CN=c2[n-]nc(CC(C)(C)C)o2)cc1OCC(C)C ZINC000347887438 1129981981 /nfs/dbraw/zinc/98/19/81/1129981981.db2.gz HVNMGTDQGCFSTG-UHFFFAOYSA-N -1 0 347.459 3.736 20 0 EHADRM O=C(C=CCc1cccc(F)c1)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000466633137 1129994413 /nfs/dbraw/zinc/99/44/13/1129994413.db2.gz CPUMZCQAHJPOFA-FNORWQNLSA-N -1 0 333.366 3.747 20 0 EHADRM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000171013813 1129997515 /nfs/dbraw/zinc/99/75/15/1129997515.db2.gz YTNCCLTWDVCNPT-NSHDSACASA-N -1 0 325.817 3.848 20 0 EHADRM C[C@H](Cc1n[n-]c(=NCc2cccc3c[nH]nc32)o1)CC(C)(C)C ZINC000347894261 1130065699 /nfs/dbraw/zinc/06/56/99/1130065699.db2.gz KUTVCOXJGKLKLU-GFCCVEGCSA-N -1 0 327.432 3.595 20 0 EHADRM O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccc(F)c(O)c1 ZINC001626098970 1130081902 /nfs/dbraw/zinc/08/19/02/1130081902.db2.gz AHNOBBPPPVYBEV-UHFFFAOYSA-N -1 0 346.358 3.970 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000173478349 1130237822 /nfs/dbraw/zinc/23/78/22/1130237822.db2.gz ZKBIMRQEPCBQFZ-NWDGAFQWSA-N -1 0 345.782 3.559 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)c3n[n-]c4ccccc4c3=O)cc2)co1 ZINC000732267554 1130907009 /nfs/dbraw/zinc/90/70/09/1130907009.db2.gz KHDNZGULSOQJEE-UHFFFAOYSA-N -1 0 346.346 3.551 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)c(C)s1 ZINC000348031118 1131131595 /nfs/dbraw/zinc/13/15/95/1131131595.db2.gz VUSNIZRXABHKNG-UHFFFAOYSA-N -1 0 339.467 3.617 20 0 EHADRM O=C(N=c1[n-]nc(-c2c(F)cccc2Cl)s1)N1CCCCO1 ZINC000282670586 1131143889 /nfs/dbraw/zinc/14/38/89/1131143889.db2.gz NQQSVOIVLVJPSK-UHFFFAOYSA-N -1 0 342.783 3.557 20 0 EHADRM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)/C=C/c1ccccc1Cl ZINC000737355496 1131447804 /nfs/dbraw/zinc/44/78/04/1131447804.db2.gz SIUODIICEXIIOK-XZHRJIJLSA-N -1 0 349.839 3.560 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)c1coc(Br)c1)C(=O)[O-] ZINC000737816029 1131455731 /nfs/dbraw/zinc/45/57/31/1131455731.db2.gz FUGOSUPQSOBFHK-CQSZACIVSA-N -1 0 346.221 3.586 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)CC/C=C\c2ccccc2)c(C)s1 ZINC000739174742 1131492493 /nfs/dbraw/zinc/49/24/93/1131492493.db2.gz ORRYVGGMFABCDU-POHAHGRESA-N -1 0 349.477 3.663 20 0 EHADRM COc1ccc2ccccc2c1CN=c1[n-]nc(-c2cccs2)o1 ZINC000543692590 1131574934 /nfs/dbraw/zinc/57/49/34/1131574934.db2.gz MPOGVXYAWXEFDX-UHFFFAOYSA-N -1 0 337.404 3.994 20 0 EHADRM c1csc(-c2n[n-]c(=NCc3ccccc3OCC3CC3)o2)c1 ZINC000543692222 1131581042 /nfs/dbraw/zinc/58/10/42/1131581042.db2.gz QSOCSFFRTZUTCE-UHFFFAOYSA-N -1 0 327.409 3.621 20 0 EHADRM CSCC[C@H](C)NC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000743462422 1131926440 /nfs/dbraw/zinc/92/64/40/1131926440.db2.gz XLDYIFGFVKDRJU-ZDUSSCGKSA-N -1 0 347.484 3.573 20 0 EHADRM CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000744002673 1132002363 /nfs/dbraw/zinc/00/23/63/1132002363.db2.gz VDWJUCQZMIOJEW-JTQLQIEISA-N -1 0 337.894 3.813 20 0 EHADRM O=C([O-])CNC(=O)c1ccc(Nc2ccccc2-c2ccccc2)cc1 ZINC001173818296 1132144616 /nfs/dbraw/zinc/14/46/16/1132144616.db2.gz IASGVGQQVYPFHU-UHFFFAOYSA-N -1 0 346.386 3.912 20 0 EHADRM COc1ccc(Nc2cccc3ccccc32)c(S(=O)(=O)[O-])c1 ZINC001173797862 1132150369 /nfs/dbraw/zinc/15/03/69/1132150369.db2.gz QOGYFJYCXNBQQG-UHFFFAOYSA-N -1 0 329.377 3.839 20 0 EHADRM COc1ccccc1Nc1c(O)cc(S(=O)(=O)[O-])c2ccccc21 ZINC001173840997 1132164198 /nfs/dbraw/zinc/16/41/98/1132164198.db2.gz RCWZBTOYBDDJEO-UHFFFAOYSA-N -1 0 345.376 3.544 20 0 EHADRM O=c1[n-]c(F)c(Cl)c(Nc2ccc3c(c2)OCCO3)c1Cl ZINC001173876005 1132177306 /nfs/dbraw/zinc/17/73/06/1132177306.db2.gz JVRNTGLBEYLGGU-UHFFFAOYSA-N -1 0 331.130 3.748 20 0 EHADRM CC(=O)Nc1ccccc1Nc1c(Cl)c(F)[n-]c(=O)c1Cl ZINC001173990509 1132197055 /nfs/dbraw/zinc/19/70/55/1132197055.db2.gz KXZHYBCLGBQKIA-UHFFFAOYSA-N -1 0 330.146 3.935 20 0 EHADRM CC(=O)c1ccc(NC(=O)c2c([O-])cc(F)cc2F)cc1Cl ZINC000182798404 1132288917 /nfs/dbraw/zinc/28/89/17/1132288917.db2.gz AFFFZEZWGMAGJH-UHFFFAOYSA-N -1 0 325.698 3.779 20 0 EHADRM CC(=O)NCc1ccc(Nc2ccc3[n-]c(=S)sc3c2)cc1 ZINC001174233173 1132293866 /nfs/dbraw/zinc/29/38/66/1132293866.db2.gz CUFDJKVQFZJNTE-UHFFFAOYSA-N -1 0 329.450 3.965 20 0 EHADRM CN(C)S(=O)(=O)c1ccc(Nc2cc(Cl)ccc2[S-])cc1 ZINC001174257411 1132304135 /nfs/dbraw/zinc/30/41/35/1132304135.db2.gz IUXBREWBAGKYOL-UHFFFAOYSA-N -1 0 342.873 3.623 20 0 EHADRM CC(C)n1cnc2cc(Nc3ccc(S(=O)(=O)[O-])cc3)ccc21 ZINC001174383028 1132344450 /nfs/dbraw/zinc/34/44/50/1132344450.db2.gz JODTXHFUPZZSNP-UHFFFAOYSA-N -1 0 331.397 3.608 20 0 EHADRM COc1cc(Br)cnc1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174495767 1132372363 /nfs/dbraw/zinc/37/23/63/1132372363.db2.gz WLLZLXCUDPVZIE-AATRIKPKSA-N -1 0 349.184 3.694 20 0 EHADRM COC(=O)[C@@H](C)c1ccc(Nc2cccc(/C=C/C(=O)[O-])c2)cc1 ZINC001174497385 1132373569 /nfs/dbraw/zinc/37/35/69/1132373569.db2.gz PICJVHWTQCEPKN-VKUYVZBCSA-N -1 0 325.364 3.805 20 0 EHADRM CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000746281543 1132401084 /nfs/dbraw/zinc/40/10/84/1132401084.db2.gz PKYMHVJQJLXJGT-SWLSCSKDSA-N -1 0 348.468 3.688 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cccnc1N1CCCCC1 ZINC001174670089 1132432327 /nfs/dbraw/zinc/43/23/27/1132432327.db2.gz HAKMHZNBFKWGAB-UHFFFAOYSA-N -1 0 327.384 3.522 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1c(F)c(F)nc(F)c1Cl ZINC001174670578 1132432348 /nfs/dbraw/zinc/43/23/48/1132432348.db2.gz LLVAERGONITQMH-UHFFFAOYSA-N -1 0 332.665 3.603 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cc(Br)ncc1C ZINC001174673995 1132432626 /nfs/dbraw/zinc/43/26/26/1132432626.db2.gz PXEANILBQNMMMQ-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM COc1cc(Nc2cc(C)c(Br)cn2)ccc1C(=O)[O-] ZINC001174678951 1132433820 /nfs/dbraw/zinc/43/38/20/1132433820.db2.gz MANKTAUCKUZVCZ-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cccc2c1NC(=O)CC2(C)C ZINC001174680124 1132435200 /nfs/dbraw/zinc/43/52/00/1132435200.db2.gz OLLBRUSZCZTVDG-UHFFFAOYSA-N -1 0 340.379 3.757 20 0 EHADRM COc1cc(Nc2ccc(C(=O)OCC(C)C)cc2)ccc1C(=O)[O-] ZINC001174685222 1132435742 /nfs/dbraw/zinc/43/57/42/1132435742.db2.gz LYNRYNWJGDEEAM-UHFFFAOYSA-N -1 0 343.379 3.950 20 0 EHADRM COC(=O)c1cc(Cl)sc1Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001174683742 1132436092 /nfs/dbraw/zinc/43/60/92/1132436092.db2.gz BYOCTQILYXXRFV-UHFFFAOYSA-N -1 0 341.772 3.639 20 0 EHADRM COc1cc(Nc2ccc(C(=O)c3ccncc3)cc2)ccc1C(=O)[O-] ZINC001174687329 1132436509 /nfs/dbraw/zinc/43/65/09/1132436509.db2.gz SUFIEXXUJSQDTO-UHFFFAOYSA-N -1 0 348.358 3.763 20 0 EHADRM COC(=O)c1oc2cccc(F)c2c1Nc1ccc(C(=O)[O-])s1 ZINC001174807114 1132478198 /nfs/dbraw/zinc/47/81/98/1132478198.db2.gz IOQSERSCEIKUDJ-UHFFFAOYSA-N -1 0 335.312 3.862 20 0 EHADRM COC(=O)c1cc(F)c(Nc2ccc(C(=O)[O-])s2)c(C)c1F ZINC001174807407 1132479355 /nfs/dbraw/zinc/47/93/55/1132479355.db2.gz KGWLBIGIYNTCDW-UHFFFAOYSA-N -1 0 327.308 3.563 20 0 EHADRM Nc1cc(Br)cc2c1ccn2-c1ccc(C(=O)[O-])s1 ZINC001174810196 1132480442 /nfs/dbraw/zinc/48/04/42/1132480442.db2.gz KDYBVQPOZDDXNF-UHFFFAOYSA-N -1 0 337.198 3.735 20 0 EHADRM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000194383305 1132488861 /nfs/dbraw/zinc/48/88/61/1132488861.db2.gz XZPRUVNSEJTDBV-UHFFFAOYSA-N -1 0 343.345 3.555 20 0 EHADRM CC(C)(C)OCc1ccc(Nc2cccc(S(=O)(=O)[O-])c2)cc1 ZINC001174910157 1132501261 /nfs/dbraw/zinc/50/12/61/1132501261.db2.gz HLOCYLCBPVUDBC-UHFFFAOYSA-N -1 0 335.425 3.992 20 0 EHADRM Cc1cc(/C=C\C(=O)N(C)CCCC(=O)[O-])c(C)n1C1CCCCC1 ZINC000746375138 1132502481 /nfs/dbraw/zinc/50/24/81/1132502481.db2.gz UKCGFSGFIXFYBV-QXMHVHEDSA-N -1 0 346.471 3.947 20 0 EHADRM O=C([O-])[C@H]1CC[C@@H](NC(=O)c2sc3cc(F)ccc3c2Cl)C1 ZINC000388272781 1132508275 /nfs/dbraw/zinc/50/82/75/1132508275.db2.gz NWHDSVDZNULLFQ-IONNQARKSA-N -1 0 341.791 3.677 20 0 EHADRM CC(C)(C)c1cc(Nc2ccc(CC(=O)[O-])cc2)c(C(N)=O)s1 ZINC001174947231 1132515619 /nfs/dbraw/zinc/51/56/19/1132515619.db2.gz GWPRSZGQKYWMML-UHFFFAOYSA-N -1 0 332.425 3.515 20 0 EHADRM O=C([O-])Cc1ccc(Nc2ccc(C(=O)c3ccncc3)cc2)cc1 ZINC001174953668 1132517694 /nfs/dbraw/zinc/51/76/94/1132517694.db2.gz XBWPMSVGYVYXHS-UHFFFAOYSA-N -1 0 332.359 3.683 20 0 EHADRM COCCCNc1cccc(F)c1Nc1ccc(CC(=O)[O-])cc1 ZINC001174956127 1132518335 /nfs/dbraw/zinc/51/83/35/1132518335.db2.gz HPOIDZOXQRYOGL-UHFFFAOYSA-N -1 0 332.375 3.645 20 0 EHADRM O=C([O-])Cc1ccc(Nc2c(F)cccc2OC2CCOCC2)cc1 ZINC001174957209 1132518585 /nfs/dbraw/zinc/51/85/85/1132518585.db2.gz WYODTWIZMWQYLF-UHFFFAOYSA-N -1 0 345.370 3.754 20 0 EHADRM CCCCOc1ccccc1[N-]S(=O)(=O)c1cc(N)ccc1C ZINC001174999845 1132525787 /nfs/dbraw/zinc/52/57/87/1132525787.db2.gz NIVAHBBPQNEHEY-UHFFFAOYSA-N -1 0 334.441 3.557 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2N)c2ccccc12 ZINC001174986965 1132536047 /nfs/dbraw/zinc/53/60/47/1132536047.db2.gz IIYSIUOQYNVOJX-UHFFFAOYSA-N -1 0 330.384 3.670 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(O)ccc2Br)cc1F ZINC001175156756 1132569924 /nfs/dbraw/zinc/56/99/24/1132569924.db2.gz LNVAZEOGQNHTPW-UHFFFAOYSA-N -1 0 326.121 3.736 20 0 EHADRM CC(C)(C)c1cnn2cc(Nc3ccc(C(=O)[O-])c(F)c3)cnc12 ZINC001175158491 1132570737 /nfs/dbraw/zinc/57/07/37/1132570737.db2.gz OWPXAHLVTZXTQZ-UHFFFAOYSA-N -1 0 328.347 3.608 20 0 EHADRM CCc1nc(Cl)c(Nc2ccc(C(=O)[O-])c(F)c2)c(Cl)n1 ZINC001175160617 1132571868 /nfs/dbraw/zinc/57/18/68/1132571868.db2.gz HAWOVAJGSKCYPK-UHFFFAOYSA-N -1 0 330.146 3.927 20 0 EHADRM CC1(C)NC(=O)Nc2ccc(Nc3ccc(C(=O)[O-])c(F)c3)cc21 ZINC001175161607 1132580982 /nfs/dbraw/zinc/58/09/82/1132580982.db2.gz IZUUJYJVOZVKDG-UHFFFAOYSA-N -1 0 329.331 3.638 20 0 EHADRM Cc1cn(-c2ccc(Nc3ccc(F)c(C(=O)[O-])c3)cc2F)cn1 ZINC001175221652 1132598711 /nfs/dbraw/zinc/59/87/11/1132598711.db2.gz NBKNPOMWBRXWIX-UHFFFAOYSA-N -1 0 329.306 3.901 20 0 EHADRM CN(c1ccc(C(=O)[O-])c(Cl)c1)c1ncc(C(F)(F)F)cc1N ZINC001175315892 1132636100 /nfs/dbraw/zinc/63/61/00/1132636100.db2.gz HHGFJXLVUUZUOQ-UHFFFAOYSA-N -1 0 345.708 3.802 20 0 EHADRM Cn1c(CNc2ccccc2C(=O)[O-])nc2cc(C(F)(F)F)ccc21 ZINC001169036232 1132637078 /nfs/dbraw/zinc/63/70/78/1132637078.db2.gz CKFSXMLPIPYYHC-UHFFFAOYSA-N -1 0 349.312 3.902 20 0 EHADRM CCOC(=O)c1cc(Nc2ccc(C(=O)[O-])c(Cl)c2)cnc1C ZINC001175317459 1132637351 /nfs/dbraw/zinc/63/73/51/1132637351.db2.gz XKHLZMMPASWRNH-UHFFFAOYSA-N -1 0 334.759 3.662 20 0 EHADRM COc1ccc2c(c1Nc1ccc(C(=O)[O-])c(Cl)c1)C(=O)CC2 ZINC001175319827 1132637860 /nfs/dbraw/zinc/63/78/60/1132637860.db2.gz BLKHPAMRRAQSBY-UHFFFAOYSA-N -1 0 331.755 3.919 20 0 EHADRM O=C([O-])c1cccc(Nc2c(Cl)nccc2Br)c1 ZINC001175331110 1132640983 /nfs/dbraw/zinc/64/09/83/1132640983.db2.gz SOJGIZOVLCUBGG-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM O=C([O-])c1cccc(Nc2ccc(F)c(Br)c2O)c1 ZINC001175330362 1132641195 /nfs/dbraw/zinc/64/11/95/1132641195.db2.gz FOXBKPLIGPDPQR-UHFFFAOYSA-N -1 0 326.121 3.736 20 0 EHADRM O=C(Nc1nccc(Br)c1[O-])c1cscc1C(F)F ZINC001169383156 1132743051 /nfs/dbraw/zinc/74/30/51/1132743051.db2.gz PVFIJSTYSIPLEG-UHFFFAOYSA-N -1 0 349.156 3.801 20 0 EHADRM Cc1cc(N[C@H](CCO)c2cccc3ccccc32)cnc1C(=O)[O-] ZINC001169424179 1132751064 /nfs/dbraw/zinc/75/10/64/1132751064.db2.gz MGMBVTSWVWQFSY-GOSISDBHSA-N -1 0 336.391 3.777 20 0 EHADRM Cc1cc(C)c(Nc2ccc3ccncc3c2)c(S(=O)(=O)[O-])c1 ZINC001175706093 1132753539 /nfs/dbraw/zinc/75/35/39/1132753539.db2.gz IFZBZCTVBRXATA-UHFFFAOYSA-N -1 0 328.393 3.842 20 0 EHADRM O=c1cc(CNc2ncc(C(F)(F)F)cc2-c2ccco2)o[n-]1 ZINC001169483975 1132765308 /nfs/dbraw/zinc/76/53/08/1132765308.db2.gz GVQPNOYVZZABTK-UHFFFAOYSA-N -1 0 325.246 3.666 20 0 EHADRM O=C([O-])c1cncc(Nc2ccc3[nH]c(=O)cc(C(F)(F)F)c3c2)c1 ZINC001175842405 1132773363 /nfs/dbraw/zinc/77/33/63/1132773363.db2.gz FSDSEBPGQKZNOX-UHFFFAOYSA-N -1 0 349.268 3.796 20 0 EHADRM O=C([O-])c1cncc(Nc2ccc(Br)c3cccnc23)c1 ZINC001175842265 1132773855 /nfs/dbraw/zinc/77/38/55/1132773855.db2.gz YBSNZZHXQVJSSS-UHFFFAOYSA-N -1 0 344.168 3.834 20 0 EHADRM C[C@]1(c2ccccc2)CCCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC001176046681 1132834256 /nfs/dbraw/zinc/83/42/56/1132834256.db2.gz RRJKLSMWOZJOOF-GOSISDBHSA-N -1 0 335.325 3.961 20 0 EHADRM O=C([O-])Cn1cc(Nc2cccc(F)c2OC2CCCCC2)cn1 ZINC001176272175 1132899404 /nfs/dbraw/zinc/89/94/04/1132899404.db2.gz BRXYDTWUOAZICV-UHFFFAOYSA-N -1 0 333.363 3.562 20 0 EHADRM COc1cc(Cl)cc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)c1 ZINC001176345283 1132905350 /nfs/dbraw/zinc/90/53/50/1132905350.db2.gz DXZWJSXDTVYTCG-UHFFFAOYSA-N -1 0 348.207 3.992 20 0 EHADRM COC(=O)c1cc(Cl)nc(Cl)c1Nc1csc(C(=O)[O-])c1 ZINC001176436694 1132928867 /nfs/dbraw/zinc/92/88/67/1132928867.db2.gz YIQZWDOANASNPR-UHFFFAOYSA-N -1 0 347.179 3.678 20 0 EHADRM Cc1cc(N)c(Nc2csc(C(=O)[O-])c2)cc1Br ZINC001176439063 1132928874 /nfs/dbraw/zinc/92/88/74/1132928874.db2.gz IPXDXRHYYTVLQO-UHFFFAOYSA-N -1 0 327.203 3.843 20 0 EHADRM CC(=O)N1CC(C)(C)c2ccc(Nc3csc(C(=O)[O-])c3)cc21 ZINC001176438993 1132928989 /nfs/dbraw/zinc/92/89/89/1132928989.db2.gz GCUUWPKMTLIZLJ-UHFFFAOYSA-N -1 0 330.409 3.834 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3cn4c(cccc4Cl)n3)cc2)CC1 ZINC001176586092 1132960902 /nfs/dbraw/zinc/96/09/02/1132960902.db2.gz CMMSNLQPEXHXJO-UHFFFAOYSA-N -1 0 327.771 3.848 20 0 EHADRM Nc1cc(Cl)cc2c1ccn2-c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176588473 1132961878 /nfs/dbraw/zinc/96/18/78/1132961878.db2.gz LYOKHURCFPXJFA-UHFFFAOYSA-N -1 0 326.783 3.982 20 0 EHADRM CCN1Cc2ccc(Nc3ccc(C4(C(=O)[O-])CC4)cc3)cc2C1=O ZINC001176588858 1132961968 /nfs/dbraw/zinc/96/19/68/1132961968.db2.gz QECTWWYJPGCLIE-UHFFFAOYSA-N -1 0 336.391 3.522 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2nccnc2OCc2ccccc2)cc1 ZINC001176590983 1132962681 /nfs/dbraw/zinc/96/26/81/1132962681.db2.gz BETALQSQSOLCQF-DHZHZOJOSA-N -1 0 347.374 3.897 20 0 EHADRM NC(=O)c1c(Nc2ccc(/C=C/C(=O)[O-])cc2)sc2c1CCCC2 ZINC001176590970 1132962844 /nfs/dbraw/zinc/96/28/44/1132962844.db2.gz AFENFHORJFTEKU-JXMROGBWSA-N -1 0 342.420 3.567 20 0 EHADRM COC(=O)c1cccc2c(Nc3ccc(/C=C/C(=O)[O-])cc3)ccnc12 ZINC001176593773 1132963321 /nfs/dbraw/zinc/96/33/21/1132963321.db2.gz IHPKOXVXJWFUTN-JXMROGBWSA-N -1 0 348.358 3.863 20 0 EHADRM CC(=O)N1CC2(CC2)c2ccc(Nc3ccc(/C=C/C(=O)[O-])cc3)cc21 ZINC001176595145 1132963511 /nfs/dbraw/zinc/96/35/11/1132963511.db2.gz IUMUQNSQLVSLJO-RUDMXATFSA-N -1 0 348.402 3.926 20 0 EHADRM COC(=O)c1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)c(F)c1F ZINC001176596711 1132964065 /nfs/dbraw/zinc/96/40/65/1132964065.db2.gz JYZLPYKAAOCZKY-RUDMXATFSA-N -1 0 333.290 3.593 20 0 EHADRM Nc1cc(F)c(Br)cc1Nc1ccc(C(=O)[O-])cc1 ZINC001176713048 1132995005 /nfs/dbraw/zinc/99/50/05/1132995005.db2.gz YTUMSQOKLXSUGR-UHFFFAOYSA-N -1 0 325.137 3.612 20 0 EHADRM NC(=O)c1cc(-c2ccccc2)sc1Nc1ccc(C(=O)[O-])cc1 ZINC001176710552 1132995176 /nfs/dbraw/zinc/99/51/76/1132995176.db2.gz SMJUPXUIHFSLOY-UHFFFAOYSA-N -1 0 338.388 3.956 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)C[C@H]1CCC[C@H](C)C1 ZINC000767571924 1133020709 /nfs/dbraw/zinc/02/07/09/1133020709.db2.gz SQIDTHHXTRGDCD-AAEUAGOBSA-N -1 0 343.876 3.670 20 0 EHADRM CC[C@H](C)[C@H]([N-]S(=O)(=O)C1=Cc2ccccc2CC1)C(F)(F)F ZINC000767608567 1133024551 /nfs/dbraw/zinc/02/45/51/1133024551.db2.gz XUPMGZRZAQXMDF-NHYWBVRUSA-N -1 0 347.402 3.870 20 0 EHADRM Cc1oc2ccccc2c1C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000767954312 1133076649 /nfs/dbraw/zinc/07/66/49/1133076649.db2.gz JLIAZOZULINXIN-UHFFFAOYSA-N -1 0 349.795 3.513 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)C(F)(F)F ZINC000769098921 1133223245 /nfs/dbraw/zinc/22/32/45/1133223245.db2.gz KBUUSWYTLZRRMG-WRWORJQWSA-N -1 0 332.347 3.823 20 0 EHADRM CC(C)c1cncc(NC(=O)c2cccc(Br)c2[O-])c1 ZINC001179684129 1133270162 /nfs/dbraw/zinc/27/01/62/1133270162.db2.gz ADCWSQKXDDNNRC-UHFFFAOYSA-N -1 0 335.201 3.925 20 0 EHADRM CCCCc1oc2ccccc2c1/C=C\C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000769511907 1133305901 /nfs/dbraw/zinc/30/59/01/1133305901.db2.gz RQSPZPQRTLGFJQ-CMUBDUJZSA-N -1 0 341.407 3.722 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000769648316 1133324752 /nfs/dbraw/zinc/32/47/52/1133324752.db2.gz PRBHMNCBPIICLZ-SNVBAGLBSA-N -1 0 337.753 3.954 20 0 EHADRM COc1cccc2c(NC(=O)C3(C(=O)[O-])CCCCC3)cccc12 ZINC001180436630 1133369654 /nfs/dbraw/zinc/36/96/54/1133369654.db2.gz OYKOFNQYCHRMGY-UHFFFAOYSA-N -1 0 327.380 3.822 20 0 EHADRM O=C([O-])C1(C(=O)N2CCC[C@@H]2c2ccc(F)cc2F)CCCCC1 ZINC001180438606 1133370548 /nfs/dbraw/zinc/37/05/48/1133370548.db2.gz QFSPMDAAYIMXSI-OAHLLOKOSA-N -1 0 337.366 3.663 20 0 EHADRM Cc1ccc(CNC(=O)C2(C(=O)[O-])CCCCC2)c2ccccc12 ZINC001180438416 1133370673 /nfs/dbraw/zinc/37/06/73/1133370673.db2.gz HBCIRRBWKUHLEC-UHFFFAOYSA-N -1 0 325.408 3.800 20 0 EHADRM CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccccc1[S-])C(C)(C)C ZINC001180692788 1133407899 /nfs/dbraw/zinc/40/78/99/1133407899.db2.gz CKRLRTUKRPNFJX-ZDUSSCGKSA-N -1 0 338.473 3.853 20 0 EHADRM C[C@@H](CNC(=O)c1cc(F)c([O-])c(Cl)c1)c1nc2ccccc2o1 ZINC000772348540 1133677089 /nfs/dbraw/zinc/67/70/89/1133677089.db2.gz QPOGNZYFUMEPHH-VIFPVBQESA-N -1 0 348.761 3.859 20 0 EHADRM Cc1ccc(Br)nc1NC(=O)Cc1ccc([S-])cc1 ZINC001183186207 1133776897 /nfs/dbraw/zinc/77/68/97/1133776897.db2.gz IIYGMSQESCUWHN-UHFFFAOYSA-N -1 0 337.242 3.622 20 0 EHADRM O=C(Cc1ccc([S-])cc1)N1CCC[C@H](Cc2ccccc2)C1 ZINC001183190311 1133777933 /nfs/dbraw/zinc/77/79/33/1133777933.db2.gz DTQBLWBDKHULBU-GOSISDBHSA-N -1 0 325.477 3.999 20 0 EHADRM O=C(N[C@H]1c2ccccc2CC[C@@H]1F)c1cc(F)cc(Cl)c1[O-] ZINC001184179083 1133901509 /nfs/dbraw/zinc/90/15/09/1133901509.db2.gz RYXIRLNHJVAZBS-GJZGRUSLSA-N -1 0 337.753 3.940 20 0 EHADRM C[C@H]1C(=O)CCCN1C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC001184394352 1133934358 /nfs/dbraw/zinc/93/43/58/1133934358.db2.gz XGDWEBQJFWDYMV-LBPRGKRZSA-N -1 0 343.810 3.906 20 0 EHADRM CC(C)(CNC(=O)c1cc(Br)cc(Cl)c1[O-])C1CC1 ZINC001184369313 1133936657 /nfs/dbraw/zinc/93/66/57/1133936657.db2.gz LHXQPHKCECKSBE-UHFFFAOYSA-N -1 0 346.652 3.974 20 0 EHADRM CC(=O)c1c(C)c(C)[nH]c1C(=O)Nc1ccc2[n-]c(=S)sc2c1 ZINC001184751077 1133986835 /nfs/dbraw/zinc/98/68/35/1133986835.db2.gz IEKLAUIGECFQGM-UHFFFAOYSA-N -1 0 345.449 3.985 20 0 EHADRM C[C@H]1C[C@H]1c1ncc(C(=O)Nc2c(Cl)ccc([O-])c2Cl)cn1 ZINC001185141569 1134034999 /nfs/dbraw/zinc/03/49/99/1134034999.db2.gz MOBPCGIVZJWJAW-IONNQARKSA-N -1 0 338.194 3.865 20 0 EHADRM O=S(=O)([N-]c1ccc(OC(F)(F)F)c(F)c1)c1ccsc1 ZINC001185341197 1134074549 /nfs/dbraw/zinc/07/45/49/1134074549.db2.gz FETRPFJROMGCAM-UHFFFAOYSA-N -1 0 341.307 3.587 20 0 EHADRM CC(C)COc1ccc([N-]S(=O)(=O)c2ccsc2)cc1F ZINC001185392817 1134078201 /nfs/dbraw/zinc/07/82/01/1134078201.db2.gz WVEXOIWTBNAXKW-UHFFFAOYSA-N -1 0 329.418 3.723 20 0 EHADRM O=S(=O)([N-]c1ncc2ccccc2n1)c1cc2ccccc2s1 ZINC001185425660 1134082311 /nfs/dbraw/zinc/08/23/11/1134082311.db2.gz AZNUSBKDKHWZSA-UHFFFAOYSA-N -1 0 341.417 3.645 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cc3ccccc3s2)n(C(C)C)n1 ZINC001185426202 1134083219 /nfs/dbraw/zinc/08/32/19/1134083219.db2.gz LENQXDNUSHZIBI-UHFFFAOYSA-N -1 0 335.454 3.788 20 0 EHADRM O=S(=O)(C[C@H]1CCCOC1)[N-]c1ccccc1Oc1ccccc1 ZINC000788139129 1134083823 /nfs/dbraw/zinc/08/38/23/1134083823.db2.gz IQRXXSJOWRFSIV-HNNXBMFYSA-N -1 0 347.436 3.647 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cc3ccccc3s2)n(C2CCC2)n1 ZINC001185429486 1134084927 /nfs/dbraw/zinc/08/49/27/1134084927.db2.gz OBCMKOHSDAKRDP-UHFFFAOYSA-N -1 0 347.465 3.932 20 0 EHADRM COc1ccc2c(c1)[C@@H](NC(=O)C=C([O-])c1ccccc1Cl)CC2 ZINC001185444021 1134086952 /nfs/dbraw/zinc/08/69/52/1134086952.db2.gz KQDMOTOTEQMEAB-KRWDZBQOSA-N -1 0 343.810 3.725 20 0 EHADRM O=C(Nc1cc(C(F)(F)F)ccc1F)Nc1ncc(F)cc1[O-] ZINC001185590174 1134111135 /nfs/dbraw/zinc/11/11/35/1134111135.db2.gz OWEZFHOPOZEMLK-UHFFFAOYSA-N -1 0 333.216 3.728 20 0 EHADRM CCc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC001185687768 1134119826 /nfs/dbraw/zinc/11/98/26/1134119826.db2.gz UCVZBNIWKYMMAT-UHFFFAOYSA-N -1 0 331.224 3.752 20 0 EHADRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccc(Cl)nc1C ZINC000788491611 1134132212 /nfs/dbraw/zinc/13/22/12/1134132212.db2.gz SBVSDRRHYMRKLY-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cccc(F)c2C)on1 ZINC001185795967 1134133823 /nfs/dbraw/zinc/13/38/23/1134133823.db2.gz VACYARBMZKCZTG-JTQLQIEISA-N -1 0 326.393 3.827 20 0 EHADRM O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)c1cccc([S-])c1 ZINC001186163678 1134172527 /nfs/dbraw/zinc/17/25/27/1134172527.db2.gz XOQKPTQSSUYLLC-CYBMUJFWSA-N -1 0 342.247 3.746 20 0 EHADRM C[C@H]1CCc2sc(NC(=O)c3cccc([S-])c3)c(C(N)=O)c2C1 ZINC001186130729 1134173055 /nfs/dbraw/zinc/17/30/55/1134173055.db2.gz YDHJTJCQFFIXJI-VIFPVBQESA-N -1 0 346.477 3.513 20 0 EHADRM COC(=O)c1cnc2ccc(NC(=O)c3cccc([S-])c3)cc2c1 ZINC001186152806 1134176196 /nfs/dbraw/zinc/17/61/96/1134176196.db2.gz PHDKZGYCDRZLPX-UHFFFAOYSA-N -1 0 338.388 3.562 20 0 EHADRM O=S(=O)(N[C@H]1CCCCC1(F)F)c1csc2ccccc21 ZINC001186523495 1134227873 /nfs/dbraw/zinc/22/78/73/1134227873.db2.gz GTGCCVYFZYJIJI-ZDUSSCGKSA-N -1 0 331.409 3.758 20 0 EHADRM Cn1cncc1[N-]S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC001186607068 1134239790 /nfs/dbraw/zinc/23/97/90/1134239790.db2.gz JGNVWZICSXKFFB-UHFFFAOYSA-N -1 0 347.827 3.541 20 0 EHADRM CNC(=O)c1ccc(Nc2cc(Cl)c(Cl)c(Cl)c2[O-])cn1 ZINC001203642956 1134240946 /nfs/dbraw/zinc/24/09/46/1134240946.db2.gz CBTKJJPDCSANIR-UHFFFAOYSA-N -1 0 346.601 3.851 20 0 EHADRM CCc1c(Cl)cc(NC(=O)NCC2CCOCC2)c([O-])c1Cl ZINC001186942257 1134273130 /nfs/dbraw/zinc/27/31/30/1134273130.db2.gz GFUPWZNMTPVKQD-UHFFFAOYSA-N -1 0 347.242 3.810 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)c(C)c1 ZINC001187173629 1134310724 /nfs/dbraw/zinc/31/07/24/1134310724.db2.gz HXKSJZUOOADGLF-UHFFFAOYSA-N -1 0 337.466 3.745 20 0 EHADRM O=C1CCc2cc([N-]S(=O)(=O)c3cc4c(s3)CCCC4)ccc21 ZINC001187210716 1134314772 /nfs/dbraw/zinc/31/47/72/1134314772.db2.gz YKKNQYWJQYUIRX-UHFFFAOYSA-N -1 0 347.461 3.557 20 0 EHADRM O=C1CCc2cccc([N-]S(=O)(=O)c3cc4c(s3)CCCC4)c21 ZINC001187214773 1134316043 /nfs/dbraw/zinc/31/60/43/1134316043.db2.gz DSTORCMWUDUAFW-UHFFFAOYSA-N -1 0 347.461 3.557 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccccc2)c(Cl)c1)c1c[nH]cn1 ZINC001187768839 1134376094 /nfs/dbraw/zinc/37/60/94/1134376094.db2.gz FEJKEKAFPUCWTL-UHFFFAOYSA-N -1 0 333.800 3.531 20 0 EHADRM O=C(Cn1ccc2ccccc21)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000746923081 1134436894 /nfs/dbraw/zinc/43/68/94/1134436894.db2.gz XQXDAJWDQLIMPB-UHFFFAOYSA-N -1 0 348.324 3.908 20 0 EHADRM CN(CCc1cccs1)C(=O)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188577789 1134483686 /nfs/dbraw/zinc/48/36/86/1134483686.db2.gz WASVLSYDJCWCLO-UHFFFAOYSA-N -1 0 329.343 3.787 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCc2cc(Cl)ccc2C1 ZINC000790983703 1134495676 /nfs/dbraw/zinc/49/56/76/1134495676.db2.gz VIHXKZVDJWYKKL-UHFFFAOYSA-N -1 0 344.823 3.968 20 0 EHADRM CCn1cnc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)c1 ZINC001188809427 1134510997 /nfs/dbraw/zinc/51/09/97/1134510997.db2.gz MOLFPROSRVEVOQ-UHFFFAOYSA-N -1 0 341.392 3.603 20 0 EHADRM O=C([N-]OC1CCCC1)C(=O)Nc1ccc2oc3ccccc3c2c1 ZINC000775216958 1134539503 /nfs/dbraw/zinc/53/95/03/1134539503.db2.gz PRMCRYWEWPHPSB-UHFFFAOYSA-N -1 0 338.363 3.515 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)c1O ZINC001189389645 1134579112 /nfs/dbraw/zinc/57/91/12/1134579112.db2.gz NPTRWOHSCCWKAN-UHFFFAOYSA-N -1 0 331.368 3.794 20 0 EHADRM CCOc1ccc(C)cc1[N-]S(=O)(=O)Cc1cccc(F)c1F ZINC001189453730 1134589355 /nfs/dbraw/zinc/58/93/55/1134589355.db2.gz ACCGPCMMDWPZRO-UHFFFAOYSA-N -1 0 341.379 3.614 20 0 EHADRM O=S(=O)(Cc1cccc(F)c1F)Nc1c([S-])cccc1Cl ZINC001189463375 1134590591 /nfs/dbraw/zinc/59/05/91/1134590591.db2.gz JFNPZPKSDVTUOC-UHFFFAOYSA-N -1 0 349.811 3.849 20 0 EHADRM CCc1nc(Cl)c(Nc2ccc(C(=O)[O-])cc2F)c(Cl)n1 ZINC001203286215 1134629741 /nfs/dbraw/zinc/62/97/41/1134629741.db2.gz ALZMCPXYWPOVHP-UHFFFAOYSA-N -1 0 330.146 3.927 20 0 EHADRM CC[C@H](C)CCCCC(=O)[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000791964031 1134638738 /nfs/dbraw/zinc/63/87/38/1134638738.db2.gz WNUUXZYXADAWDL-AWEZNQCLSA-N -1 0 348.468 3.646 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)n(C(C)(C)C)n1 ZINC001190467615 1134705977 /nfs/dbraw/zinc/70/59/77/1134705977.db2.gz GDZDSXSFVGRDRB-UHFFFAOYSA-N -1 0 333.457 3.625 20 0 EHADRM O=S(=O)(Nc1ccc(CO)c(Cl)c1)c1ccc(C2CC2)cc1 ZINC001190505496 1134708118 /nfs/dbraw/zinc/70/81/18/1134708118.db2.gz BLJHFZDDSSFGQZ-UHFFFAOYSA-N -1 0 337.828 3.511 20 0 EHADRM O=C(OCc1nnc(-c2ccccc2)o1)c1cc([S-])ccc1F ZINC000798725075 1134761217 /nfs/dbraw/zinc/76/12/17/1134761217.db2.gz IXBGXEYSTGJOJA-UHFFFAOYSA-N -1 0 330.340 3.521 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)ccc1C(F)(F)F)c1ccncc1 ZINC001190894226 1134763922 /nfs/dbraw/zinc/76/39/22/1134763922.db2.gz YCPMLQXZRLERHG-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM COc1ccc(-c2ccccc2[N-]S(=O)(=O)c2ccncc2)cc1 ZINC001190896826 1134764946 /nfs/dbraw/zinc/76/49/46/1134764946.db2.gz UCUZSTYJVLVIEM-UHFFFAOYSA-N -1 0 340.404 3.558 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cccc3c2ncn3C)cc1 ZINC001191253348 1134825244 /nfs/dbraw/zinc/82/52/44/1134825244.db2.gz NKRNNBBWNIZMFB-UHFFFAOYSA-N -1 0 343.452 3.717 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2O)cc1 ZINC001191248790 1134836802 /nfs/dbraw/zinc/83/68/02/1134836802.db2.gz JMGTZMCANAZVKB-UHFFFAOYSA-N -1 0 347.436 3.738 20 0 EHADRM Cc1csc([N-]S(=O)(=O)c2cc(C)cc(Br)c2)c1 ZINC001191272955 1134838862 /nfs/dbraw/zinc/83/88/62/1134838862.db2.gz CJJIQTSFPZOMLS-UHFFFAOYSA-N -1 0 346.271 3.928 20 0 EHADRM Cc1c(=O)[nH]n(-c2ccccc2)c1NC(=O)NC1CCCCCC1 ZINC001191290881 1134842234 /nfs/dbraw/zinc/84/22/34/1134842234.db2.gz WRAKUHMUBKDIGR-UHFFFAOYSA-N -1 0 328.416 3.731 20 0 EHADRM O=C(Nc1ccccn1)Nc1cc(Br)cc(Cl)c1[O-] ZINC001191345236 1134846831 /nfs/dbraw/zinc/84/68/31/1134846831.db2.gz LFEZUHFJOILVDD-UHFFFAOYSA-N -1 0 342.580 3.847 20 0 EHADRM O=S(=O)(CC1CCCC1)[N-][C@@H](c1cccc(F)c1)C(F)(F)F ZINC001191540198 1134881375 /nfs/dbraw/zinc/88/13/75/1134881375.db2.gz XQXZBFNVSQQJCY-ZDUSSCGKSA-N -1 0 339.354 3.539 20 0 EHADRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cncc(Cl)c1 ZINC001191663786 1134901910 /nfs/dbraw/zinc/90/19/10/1134901910.db2.gz ZOQXKTCKNGJTTH-UHFFFAOYSA-N -1 0 340.832 3.668 20 0 EHADRM O=C(Nc1ccc(OCc2cccnc2)cc1)c1c([O-])cccc1F ZINC000772831854 1134908994 /nfs/dbraw/zinc/90/89/94/1134908994.db2.gz DJIORQJRZZNEGT-UHFFFAOYSA-N -1 0 338.338 3.758 20 0 EHADRM O=C(Nc1cc(=O)n(-c2ccccc2)[nH]1)c1c[nH]cc1-c1ccccc1 ZINC001191776090 1134913640 /nfs/dbraw/zinc/91/36/40/1134913640.db2.gz DCLOZPJUYHILIX-UHFFFAOYSA-N -1 0 344.374 3.825 20 0 EHADRM CCC(C)(C)C(=O)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000793352422 1134916760 /nfs/dbraw/zinc/91/67/60/1134916760.db2.gz LPELVANXOVQXKC-UHFFFAOYSA-N -1 0 338.256 3.543 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1nc(C2CC2)cs1 ZINC001191781024 1134920402 /nfs/dbraw/zinc/92/04/02/1134920402.db2.gz YGHCLJWTAYGTRA-UHFFFAOYSA-N -1 0 338.454 3.528 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(ccn2C)c1 ZINC001191822328 1134930350 /nfs/dbraw/zinc/93/03/50/1134930350.db2.gz ZHMYWIDTPJNMKS-UHFFFAOYSA-N -1 0 344.436 3.686 20 0 EHADRM O=S(=O)([N-]c1ccc2ccc(O)cc2c1)C(Cl)(Cl)Cl ZINC001192032521 1134958047 /nfs/dbraw/zinc/95/80/47/1134958047.db2.gz VLICGPYFXLKANA-UHFFFAOYSA-N -1 0 340.615 3.615 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cc(C3CC3)cnc2Cl)c1 ZINC000793778354 1134993553 /nfs/dbraw/zinc/99/35/53/1134993553.db2.gz ARHGCWORJSIPPP-UHFFFAOYSA-N -1 0 330.771 3.773 20 0 EHADRM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1cc(C(C)(C)C)ns1 ZINC001192321688 1134998121 /nfs/dbraw/zinc/99/81/21/1134998121.db2.gz TVSRQCDBNWXMCJ-UHFFFAOYSA-N -1 0 345.877 3.598 20 0 EHADRM CC(C)CCCCCC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000794001252 1135012838 /nfs/dbraw/zinc/01/28/38/1135012838.db2.gz WOHNCKFJBYGIIW-ZWKOTPCHSA-N -1 0 331.456 3.920 20 0 EHADRM Cc1ccnc2cc([N-]S(=O)(=O)c3cnc(Cl)c(C)c3)ccc12 ZINC001192571519 1135031372 /nfs/dbraw/zinc/03/13/72/1135031372.db2.gz HRERNJAQWMVANH-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM COc1cc(C(F)(F)F)ccc1NC(=O)c1c(F)ccc(F)c1[O-] ZINC001192705936 1135050619 /nfs/dbraw/zinc/05/06/19/1135050619.db2.gz GKOKISLATMHQEY-UHFFFAOYSA-N -1 0 347.239 3.950 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cncc(C3CCC3)c2)c1 ZINC001192775911 1135052824 /nfs/dbraw/zinc/05/28/24/1135052824.db2.gz SJZLWODGIGWVLV-UHFFFAOYSA-N -1 0 346.452 3.721 20 0 EHADRM Cc1[nH]c2ccc(CNC(=O)c3c([O-])ccc(F)c3F)cc2c1C ZINC001192769810 1135052903 /nfs/dbraw/zinc/05/29/03/1135052903.db2.gz OHXQXLHFKWZRTC-UHFFFAOYSA-N -1 0 330.334 3.699 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ncccc2C(C)C)c1 ZINC001192773772 1135052982 /nfs/dbraw/zinc/05/29/82/1135052982.db2.gz HQVVARAJQIKVQM-UHFFFAOYSA-N -1 0 334.441 3.577 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(OC(C)C)c2)c1 ZINC001192805746 1135057425 /nfs/dbraw/zinc/05/74/25/1135057425.db2.gz PBHNSKNGCPDTED-UHFFFAOYSA-N -1 0 349.452 3.846 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cccc3ncsc32)c1 ZINC001192821313 1135059241 /nfs/dbraw/zinc/05/92/41/1135059241.db2.gz MQEWOMLOPNYGEB-UHFFFAOYSA-N -1 0 348.449 3.668 20 0 EHADRM O=C(Nc1nc2ccccc2nc1Cl)c1ccc([O-])c(F)c1F ZINC001192828359 1135060356 /nfs/dbraw/zinc/06/03/56/1135060356.db2.gz RFYQSIFWMYBFHA-UHFFFAOYSA-N -1 0 335.697 3.519 20 0 EHADRM CC(C)c1nc(CN(C)C(=O)c2cc(F)c([O-])cc2F)cs1 ZINC001192866312 1135062356 /nfs/dbraw/zinc/06/23/56/1135062356.db2.gz DOGCSUDFEZPSGT-UHFFFAOYSA-N -1 0 326.368 3.523 20 0 EHADRM N=C(Nc1ccccc1C(=O)[O-])c1ccc(Br)cc1F ZINC001170461329 1135164253 /nfs/dbraw/zinc/16/42/53/1135164253.db2.gz QBRCFJFJWPTEGK-UHFFFAOYSA-N -1 0 337.148 3.724 20 0 EHADRM CCCCCOC(=O)Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1 ZINC001193769008 1135184690 /nfs/dbraw/zinc/18/46/90/1135184690.db2.gz FIRSSDJRPOKAQE-UHFFFAOYSA-N -1 0 337.397 3.825 20 0 EHADRM CC(C)(CNC(=O)c1ccc(F)c([O-])c1F)c1c[nH]c2ccccc21 ZINC001193800423 1135186543 /nfs/dbraw/zinc/18/65/43/1135186543.db2.gz JZXKCRLMYNAPFB-UHFFFAOYSA-N -1 0 344.361 3.859 20 0 EHADRM COCCCO[N-]C(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000805040108 1135227838 /nfs/dbraw/zinc/22/78/38/1135227838.db2.gz QRWZCACDUHEAJS-QGZVFWFLSA-N -1 0 331.437 3.604 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2ccc(-c3cccs3)cc2)n1 ZINC001194131436 1135229724 /nfs/dbraw/zinc/22/97/24/1135229724.db2.gz XUULNVRGYCMGQV-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM COc1ccncc1[N-]S(=O)(=O)c1ccc2c(Cl)cccc2c1 ZINC001194218099 1135246230 /nfs/dbraw/zinc/24/62/30/1135246230.db2.gz XHYCHSSKLBKGIA-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)NCc1ccccc1C1CC1 ZINC001194277279 1135247712 /nfs/dbraw/zinc/24/77/12/1135247712.db2.gz WDPXBCVJQRSDQD-UHFFFAOYSA-N -1 0 347.418 3.694 20 0 EHADRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)N[C@@H]1C[C@@H](C)c2ccccc21 ZINC001194277912 1135248033 /nfs/dbraw/zinc/24/80/33/1135248033.db2.gz UOUBQYWOXXJDQC-FZKQIMNGSA-N -1 0 347.418 3.865 20 0 EHADRM O=C(Nc1ccc2c(cccc2S(=O)(=O)[O-])c1)Oc1ccccc1 ZINC001194250977 1135250605 /nfs/dbraw/zinc/25/06/05/1135250605.db2.gz DBCODCXXTZNJCR-UHFFFAOYSA-N -1 0 343.360 3.697 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cc(F)cc2nccnc21 ZINC000805257333 1135253516 /nfs/dbraw/zinc/25/35/16/1135253516.db2.gz YKCMBDIPZYRSFC-UHFFFAOYSA-N -1 0 335.697 3.519 20 0 EHADRM Cc1cc(=O)oc2cc(N(C)C(=O)c3c([O-])cccc3Cl)ccc12 ZINC000805356552 1135263710 /nfs/dbraw/zinc/26/37/10/1135263710.db2.gz LURNAJDBRHIROW-UHFFFAOYSA-N -1 0 343.766 3.737 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cccc3c(Cl)cccc32)cn1 ZINC001194402502 1135264500 /nfs/dbraw/zinc/26/45/00/1135264500.db2.gz CCJWKXQSZSSXJB-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM O=S(=O)([N-]c1cccc(F)n1)c1cccc2c(Cl)cccc21 ZINC001194403576 1135265087 /nfs/dbraw/zinc/26/50/87/1135265087.db2.gz LQEPIXCYKRTYPQ-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM CCc1cc([N-]S(=O)(=O)c2cccc3c(Cl)cccc32)on1 ZINC001194414205 1135266369 /nfs/dbraw/zinc/26/63/69/1135266369.db2.gz XSXCXGLHVMEVDC-UHFFFAOYSA-N -1 0 336.800 3.844 20 0 EHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1cccc(C(F)(F)F)n1 ZINC001194605666 1135292907 /nfs/dbraw/zinc/29/29/07/1135292907.db2.gz QDLXKFYSBWZCAV-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM COc1cc2cccnc2c([N-]S(=O)(=O)c2c(C)cccc2C)c1 ZINC001194638779 1135295352 /nfs/dbraw/zinc/29/53/52/1135295352.db2.gz MVIOODOUYCAALI-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM COc1cc(C)c(S(=O)(=O)Nc2c(C)cccc2OC)c(C)c1C ZINC001194864947 1135331832 /nfs/dbraw/zinc/33/18/32/1135331832.db2.gz VKFPEFSMPDWQDZ-UHFFFAOYSA-N -1 0 349.452 3.738 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2ncccc2C(C)C)c(C)c1C ZINC001194843935 1135336124 /nfs/dbraw/zinc/33/61/24/1135336124.db2.gz SXAGDDWQIVGJRF-UHFFFAOYSA-N -1 0 348.468 3.940 20 0 EHADRM CC[C@@H](C)c1ccc([N-]S(=O)(=O)c2cccc3nccnc32)cc1 ZINC001194933931 1135348847 /nfs/dbraw/zinc/34/88/47/1135348847.db2.gz WUJORCLPBRANII-CYBMUJFWSA-N -1 0 341.436 3.944 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)nc2)c1 ZINC001195120373 1135372388 /nfs/dbraw/zinc/37/23/88/1135372388.db2.gz GTSUKKDDFIZDMW-UHFFFAOYSA-N -1 0 346.452 3.795 20 0 EHADRM C[C@H]1CN(C(=O)c2c([O-])c(F)c(F)c(F)c2F)Cc2ccccc21 ZINC001195290081 1135407527 /nfs/dbraw/zinc/40/75/27/1135407527.db2.gz FAVJTXVNALQSMR-QMMMGPOBSA-N -1 0 339.288 3.708 20 0 EHADRM O=C(Nc1cccc2c1OCCC2)c1c([O-])c(F)c(F)c(F)c1F ZINC001195302235 1135409878 /nfs/dbraw/zinc/40/98/78/1135409878.db2.gz BOHLYWKDDFSYKC-UHFFFAOYSA-N -1 0 341.260 3.526 20 0 EHADRM CCOC(=O)NC(=S)Nc1c(F)cccc1OC(CC)CC ZINC001195492152 1135432689 /nfs/dbraw/zinc/43/26/89/1135432689.db2.gz CVOCAHULKVFOLJ-UHFFFAOYSA-N -1 0 328.409 3.836 20 0 EHADRM Cc1nc(C2(NC(=O)c3cccc(Cl)c3[O-])CCCCCC2)no1 ZINC000775668732 1135458345 /nfs/dbraw/zinc/45/83/45/1135458345.db2.gz JDWJCUZKDDGVRE-UHFFFAOYSA-N -1 0 349.818 3.717 20 0 EHADRM Cc1cc(N2CCCCCC2)ccc1NC(=O)NO[C@H]1CCCCO1 ZINC000806635322 1135477179 /nfs/dbraw/zinc/47/71/79/1135477179.db2.gz RAOKAINWYBNCKE-SFHVURJKSA-N -1 0 347.459 3.955 20 0 EHADRM Cc1ccc([C@H](CNC(=O)c2cccc(Cl)c2[O-])[NH+]2CCCC2)o1 ZINC000775689192 1135524484 /nfs/dbraw/zinc/52/44/84/1135524484.db2.gz AJVZGPWCEVELMD-HNNXBMFYSA-N -1 0 348.830 3.514 20 0 EHADRM COC(OC)c1ccc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)o1 ZINC000807180059 1135527630 /nfs/dbraw/zinc/52/76/30/1135527630.db2.gz ICBJNLIKDITBTI-UHFFFAOYSA-N -1 0 346.166 3.836 20 0 EHADRM O=S(=O)([N-]c1cccc(-c2ccccc2)n1)c1ccc(Cl)cn1 ZINC001196205212 1135530916 /nfs/dbraw/zinc/53/09/16/1135530916.db2.gz NTOQZGIGMBTVMI-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccco2)cc1)c1ccc(Cl)cn1 ZINC001196244604 1135540076 /nfs/dbraw/zinc/54/00/76/1135540076.db2.gz ONSAJCSPWXVBIT-UHFFFAOYSA-N -1 0 334.784 3.796 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cn2)c(C)cc1Cl ZINC001196245389 1135540181 /nfs/dbraw/zinc/54/01/81/1135540181.db2.gz XMBZAQCWVYUJIZ-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc3ccccc3nc2C)c(F)c1 ZINC001196353537 1135549904 /nfs/dbraw/zinc/54/99/04/1135549904.db2.gz VSFKEACXRBNZJE-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM Cc1cnc([N-]S(=O)(=O)c2ccc3cc(Cl)ccc3c2)c(C)n1 ZINC001196417446 1135560642 /nfs/dbraw/zinc/56/06/42/1135560642.db2.gz XXISHYCYDASOLO-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM O=C(Nc1cccc2c1C(=O)CCC2)c1cc(Cl)c(F)cc1[O-] ZINC001196466472 1135563767 /nfs/dbraw/zinc/56/37/67/1135563767.db2.gz HKXOJHLQCFVRRV-UHFFFAOYSA-N -1 0 333.746 3.956 20 0 EHADRM CN(C(=O)c1cc(Cl)c(F)cc1[O-])[C@H](C1CCC1)C(F)(F)F ZINC001196468338 1135564861 /nfs/dbraw/zinc/56/48/61/1135564861.db2.gz WGSAKBXXSSHUFO-GFCCVEGCSA-N -1 0 339.716 3.988 20 0 EHADRM Cc1cn(-c2ccccc2)nc1NC(=O)c1cccc(Cl)c1[O-] ZINC000775724126 1135574554 /nfs/dbraw/zinc/57/45/54/1135574554.db2.gz HABAVFUEICNDJP-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM COc1ccc(F)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC001196719872 1135599680 /nfs/dbraw/zinc/59/96/80/1135599680.db2.gz UVECSIVTRSHBMG-UHFFFAOYSA-N -1 0 349.305 3.654 20 0 EHADRM COc1ccc(F)c(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)c1 ZINC001196719543 1135599829 /nfs/dbraw/zinc/59/98/29/1135599829.db2.gz PTIKFPROHYCKOV-UHFFFAOYSA-N -1 0 349.305 3.654 20 0 EHADRM CC(C)c1scnc1[N-]S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000808129264 1135616387 /nfs/dbraw/zinc/61/63/87/1135616387.db2.gz CMECLFPOUMCDIY-BQYQJAHWSA-N -1 0 326.418 3.818 20 0 EHADRM CC(C)(NC(=S)Nc1ccc(C(=O)[O-])cc1)c1ccccc1F ZINC001197138679 1135648947 /nfs/dbraw/zinc/64/89/47/1135648947.db2.gz LTKCNTPFUJEHEN-UHFFFAOYSA-N -1 0 332.400 3.746 20 0 EHADRM CN(CC/C=C/c1cccnc1)C(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197103628 1135650303 /nfs/dbraw/zinc/65/03/03/1135650303.db2.gz QFRRNNFGRJYRPF-GORDUTHDSA-N -1 0 341.436 3.512 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NC[C@H]2CCCc3ccccc32)cc1 ZINC001197148166 1135654235 /nfs/dbraw/zinc/65/42/35/1135654235.db2.gz RKJOWSKHWJCGDM-OAHLLOKOSA-N -1 0 340.448 3.791 20 0 EHADRM Cc1cc(C(=O)Nc2ccc3[nH][nH]c(=O)c3c2)cc(C)c1OC(C)C ZINC001197228452 1135661960 /nfs/dbraw/zinc/66/19/60/1135661960.db2.gz LRVCQEDBZURWDW-UHFFFAOYSA-N -1 0 339.395 3.925 20 0 EHADRM CC(C)c1cc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)on1 ZINC001197643301 1135715124 /nfs/dbraw/zinc/71/51/24/1135715124.db2.gz UVPINJNCZFSQJS-UHFFFAOYSA-N -1 0 332.784 3.532 20 0 EHADRM Cc1cc([N-]S(=O)(=O)Cc2cccc(Cl)c2Cl)sn1 ZINC001197717890 1135723173 /nfs/dbraw/zinc/72/31/73/1135723173.db2.gz SGEDSDJOGZYJLM-UHFFFAOYSA-N -1 0 337.253 3.700 20 0 EHADRM CC(C)CN(C)C(=O)N(CCCC(=O)[O-])Cc1ccccc1Cl ZINC000797428816 1135764476 /nfs/dbraw/zinc/76/44/76/1135764476.db2.gz HGUDUNQHEMQXLD-UHFFFAOYSA-N -1 0 340.851 3.715 20 0 EHADRM Cc1c(Cl)cc(NC(=O)c2ncccc2N(C)C)c([O-])c1Cl ZINC001198232107 1135789108 /nfs/dbraw/zinc/78/91/08/1135789108.db2.gz CZEBNYMDIHSJBD-UHFFFAOYSA-N -1 0 340.210 3.721 20 0 EHADRM CCc1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc(Cl)n1 ZINC001198234805 1135789992 /nfs/dbraw/zinc/78/99/92/1135789992.db2.gz PYINRUJKCYVOJE-UHFFFAOYSA-N -1 0 331.224 3.752 20 0 EHADRM O=S(=O)([N-]c1ccccc1-c1ccco1)c1cccc(Cl)n1 ZINC001198238568 1135790518 /nfs/dbraw/zinc/79/05/18/1135790518.db2.gz XSJDTWWNXCRMHD-UHFFFAOYSA-N -1 0 334.784 3.796 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc3cccc(Cl)c32)cn1 ZINC001198325053 1135800903 /nfs/dbraw/zinc/80/09/03/1135800903.db2.gz MDRGFILOUMSTDN-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccccc2Oc2ccccc2)cn1 ZINC001198432682 1135813796 /nfs/dbraw/zinc/81/37/96/1135813796.db2.gz ONGRSIAIPLLRIV-UHFFFAOYSA-N -1 0 340.404 3.983 20 0 EHADRM O=C([O-])c1c(F)cc(Nc2ccc(N3CCCCC3)nc2)cc1F ZINC001203316020 1135819515 /nfs/dbraw/zinc/81/95/15/1135819515.db2.gz GBHZAOBAMXWEFE-UHFFFAOYSA-N -1 0 333.338 3.792 20 0 EHADRM CC(C)(C)c1cncc([N-]S(=O)(=O)c2ccc3occc3c2)c1 ZINC001198828081 1135857227 /nfs/dbraw/zinc/85/72/27/1135857227.db2.gz BNVVXCPCLLTHCM-UHFFFAOYSA-N -1 0 330.409 3.926 20 0 EHADRM CCC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198869636 1135864455 /nfs/dbraw/zinc/86/44/55/1135864455.db2.gz GWYZMJXPGDJUGZ-UHFFFAOYSA-N -1 0 329.377 3.826 20 0 EHADRM COC(=O)c1ccccc1NC(=S)Nc1ccc([S-])c(OC)c1 ZINC001198982027 1135871500 /nfs/dbraw/zinc/87/15/00/1135871500.db2.gz BHDOSUNJJHRLJI-UHFFFAOYSA-N -1 0 348.449 3.579 20 0 EHADRM C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000775943078 1135887664 /nfs/dbraw/zinc/88/76/64/1135887664.db2.gz PKCLSUSCQMYYLN-WPRPVWTQSA-N -1 0 344.358 3.920 20 0 EHADRM O=C([O-])c1c(F)cc(Nc2cc(-c3ccncc3)c[nH]c2=O)cc1F ZINC001203319390 1135888945 /nfs/dbraw/zinc/88/89/45/1135888945.db2.gz NZJOYBGLBXEMPH-UHFFFAOYSA-N -1 0 343.289 3.569 20 0 EHADRM O=C(N[C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccc2oc(=S)[n-]c2c1 ZINC000828552306 1135889363 /nfs/dbraw/zinc/88/93/63/1135889363.db2.gz WLXWQTSZJJYYCU-NXEZZACHSA-N -1 0 342.342 3.743 20 0 EHADRM O=C([N-]c1noc2cccnc21)c1cc(-c2cccc(Cl)c2)no1 ZINC001199314844 1135894311 /nfs/dbraw/zinc/89/43/11/1135894311.db2.gz YQICEVRVUWSXDQ-UHFFFAOYSA-N -1 0 340.726 3.784 20 0 EHADRM Cc1cc(C(=O)Nc2ccccc2[S-])nn1-c1cccc(F)c1 ZINC001199346988 1135896526 /nfs/dbraw/zinc/89/65/26/1135896526.db2.gz LZEQYGIOXJONAE-UHFFFAOYSA-N -1 0 327.384 3.861 20 0 EHADRM O=C([O-])c1c(F)cc(Nc2cnccc2OC(F)(F)F)cc1F ZINC001203322895 1135913826 /nfs/dbraw/zinc/91/38/26/1135913826.db2.gz LMIPPVFRJXVDHS-UHFFFAOYSA-N -1 0 334.200 3.700 20 0 EHADRM O=C(Nc1ccc(Nc2cc(=O)[n-]c(Cl)n2)cc1)c1ccccc1 ZINC001201311089 1136005656 /nfs/dbraw/zinc/00/56/56/1136005656.db2.gz ONGBZVFFHVIJAC-UHFFFAOYSA-N -1 0 340.770 3.832 20 0 EHADRM Cc1coc([N-]S(=O)(=O)c2cccc(Oc3ccccc3C)c2)n1 ZINC001201568433 1136042036 /nfs/dbraw/zinc/04/20/36/1136042036.db2.gz IISNURPMACOTGJ-UHFFFAOYSA-N -1 0 344.392 3.885 20 0 EHADRM O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc(=O)[n-]c(Cl)n1 ZINC001202257226 1136114949 /nfs/dbraw/zinc/11/49/49/1136114949.db2.gz OLPVXNUDQCKZNE-UHFFFAOYSA-N -1 0 333.562 3.786 20 0 EHADRM O=C(Nc1ccc(Br)cc1)Nc1ncc(Cl)cc1[O-] ZINC001202326658 1136129575 /nfs/dbraw/zinc/12/95/75/1136129575.db2.gz SHAYXYFSLKNEKU-UHFFFAOYSA-N -1 0 342.580 3.847 20 0 EHADRM Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811819442 1136145477 /nfs/dbraw/zinc/14/54/77/1136145477.db2.gz AQDVPQATSUHGOD-MRXNPFEDSA-N -1 0 329.783 3.764 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2sc(NC3CC3)nc2C)c1 ZINC000812708245 1136238948 /nfs/dbraw/zinc/23/89/48/1136238948.db2.gz RPRBXSNOYCFRQH-UHFFFAOYSA-N -1 0 345.424 3.576 20 0 EHADRM CCCC[C@](C)(F)C(=O)[N-]S(=O)(=O)[C@@H](CC)c1ccccc1 ZINC000851043004 1136331730 /nfs/dbraw/zinc/33/17/30/1136331730.db2.gz BBDCLUIJSHSINS-HOCLYGCPSA-N -1 0 329.437 3.502 20 0 EHADRM O=C(CCC1CC1)O[C@@H]1C[C@@H]([N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000851176354 1136346779 /nfs/dbraw/zinc/34/67/79/1136346779.db2.gz OVNPWHKACOHFGV-ZIAGYGMSSA-N -1 0 341.329 3.584 20 0 EHADRM Cc1cc(C(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)ccc1Cl ZINC000216702774 1136378098 /nfs/dbraw/zinc/37/80/98/1136378098.db2.gz HMGYCUXYYHIAAG-HOTGVXAUSA-N -1 0 343.810 3.589 20 0 EHADRM CCc1ccsc1C(=O)[N-]S(=O)(=O)[C@H](CC)c1ccccc1 ZINC000814015091 1136386507 /nfs/dbraw/zinc/38/65/07/1136386507.db2.gz SJJZDWCULXEXAV-CQSZACIVSA-N -1 0 337.466 3.521 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCc1ccccc1C ZINC000814017726 1136386576 /nfs/dbraw/zinc/38/65/76/1136386576.db2.gz CPXHPXLMQVCXFE-SFHVURJKSA-N -1 0 345.464 3.525 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H](CC)CC1 ZINC000814019333 1136387307 /nfs/dbraw/zinc/38/73/07/1136387307.db2.gz IMCCDPYGSAGSKD-DJIMGWMZSA-N -1 0 337.485 3.800 20 0 EHADRM CCC[C@@H](CCc1ccccc1)NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851595331 1136395251 /nfs/dbraw/zinc/39/52/51/1136395251.db2.gz OFTOYVSDXHHPQK-HECSCLNYSA-N -1 0 341.407 3.909 20 0 EHADRM Cc1c(NC(=O)c2ccc(/C=C/C(=O)[O-])o2)sc2c1CCCC2 ZINC000851594870 1136395314 /nfs/dbraw/zinc/39/53/14/1136395314.db2.gz MEPBGEQLCPQULG-VQHVLOKHSA-N -1 0 331.393 3.878 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cccc(SC(F)(F)F)c1 ZINC000851599566 1136395332 /nfs/dbraw/zinc/39/53/32/1136395332.db2.gz HARPQWAGHYGMAL-VIFPVBQESA-N -1 0 335.347 3.624 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)c1cccc(SC(F)(F)F)c1 ZINC000851601703 1136395761 /nfs/dbraw/zinc/39/57/61/1136395761.db2.gz WHIPPAVSENLQBI-LLVKDONJSA-N -1 0 347.358 3.768 20 0 EHADRM CC(C)Oc1ccccc1[C@H](C)NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851602642 1136395794 /nfs/dbraw/zinc/39/57/94/1136395794.db2.gz XEIVFGYLBNKWPX-STRFDMGBSA-N -1 0 343.379 3.656 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1cccc(SC(F)(F)F)c1)CC1CC1 ZINC000851609124 1136396438 /nfs/dbraw/zinc/39/64/38/1136396438.db2.gz QEGYMVLMGHGHMM-NSHDSACASA-N -1 0 347.358 3.529 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)c1cccc(SC(F)(F)F)c1 ZINC000851625916 1136396659 /nfs/dbraw/zinc/39/66/59/1136396659.db2.gz YKFYWFSWVVMKSW-RISCZKNCSA-N -1 0 347.358 3.672 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2ccccc2N2CCCCCC2)CC1 ZINC000852952316 1136494551 /nfs/dbraw/zinc/49/45/51/1136494551.db2.gz WJMPHUJRNWVROE-UHFFFAOYSA-N -1 0 344.455 3.897 20 0 EHADRM O=C([O-])[C@H]1Cc2nc3cc(Cl)ccc3c([C@@H]3CCCOC3)c2C1 ZINC000853001792 1136496891 /nfs/dbraw/zinc/49/68/91/1136496891.db2.gz AELLLAYVEWIOAD-GHMZBOCLSA-N -1 0 331.799 3.582 20 0 EHADRM CCCN(C)C(=O)N(CCCC(=O)[O-])Cc1ccc(F)cc1Cl ZINC000776675892 1136531988 /nfs/dbraw/zinc/53/19/88/1136531988.db2.gz CKEQNLLOIYEFTH-UHFFFAOYSA-N -1 0 344.814 3.608 20 0 EHADRM O=C([O-])[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)C=C1CCCC1 ZINC000776681601 1136545349 /nfs/dbraw/zinc/54/53/49/1136545349.db2.gz LLLXKXUKJMTCNC-CQSZACIVSA-N -1 0 342.222 3.606 20 0 EHADRM COc1cc2c(cc1F)CC[C@H]2N=c1[n-]nc(-c2ccccc2)s1 ZINC000509476316 1136572157 /nfs/dbraw/zinc/57/21/57/1136572157.db2.gz DEGKTTWHLKNWFE-OAHLLOKOSA-N -1 0 341.411 3.874 20 0 EHADRM CC[C@H](C)CO[N-]C(=O)C(=O)Nc1ccc(-c2ccccc2)cc1F ZINC000815713263 1136631746 /nfs/dbraw/zinc/63/17/46/1136631746.db2.gz NGYIPEADGRIQDF-ZDUSSCGKSA-N -1 0 344.386 3.525 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc3oc(=S)[n-]c3c2)CC2(CCCCC2)O1 ZINC000855055057 1136664331 /nfs/dbraw/zinc/66/43/31/1136664331.db2.gz CHJWKAMBYVIDDB-LBPRGKRZSA-N -1 0 346.452 3.680 20 0 EHADRM Cc1ccc(C)c(C(=O)[N-]S(=O)(=O)[C@@H](c2ccccc2)C(C)C)c1 ZINC000816109101 1136677296 /nfs/dbraw/zinc/67/72/96/1136677296.db2.gz VSTAXAHHHPRPOR-GOSISDBHSA-N -1 0 345.464 3.760 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H](F)c1ccccc1 ZINC000816113604 1136677847 /nfs/dbraw/zinc/67/78/47/1136677847.db2.gz WSJOXFCAGFVPDO-IRXDYDNUSA-N -1 0 349.427 3.541 20 0 EHADRM C[C@](O)(C(=O)Nc1cc(F)cc(Cl)c1[O-])c1ccc(Cl)cc1 ZINC000816151596 1136679023 /nfs/dbraw/zinc/67/90/23/1136679023.db2.gz GEGSMSZWXUUASV-OAHLLOKOSA-N -1 0 344.169 3.684 20 0 EHADRM CN(CCOc1ccc(Cl)cc1)C(=O)c1ccc(Cl)c([O-])c1 ZINC001135641915 1136740431 /nfs/dbraw/zinc/74/04/31/1136740431.db2.gz VYMQHPDRHLLGBN-UHFFFAOYSA-N -1 0 340.206 3.850 20 0 EHADRM C[C@H](CCc1ccccc1)NC(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000816818977 1136757774 /nfs/dbraw/zinc/75/77/74/1136757774.db2.gz QNWSPMWIRUEAQS-GFCCVEGCSA-N -1 0 326.421 3.868 20 0 EHADRM CCC(CC)CCCN(C)C(=O)CSc1n[n-]c(=S)s1 ZINC000856169354 1136761059 /nfs/dbraw/zinc/76/10/59/1136761059.db2.gz LQXHPPWOANQPIF-UHFFFAOYSA-N -1 0 333.548 3.594 20 0 EHADRM CC(C)(C(=O)[N-]OCCC1CC1)c1ccc(Br)cc1 ZINC000817416408 1136806835 /nfs/dbraw/zinc/80/68/35/1136806835.db2.gz FAZDISAMFQNRMG-UHFFFAOYSA-N -1 0 326.234 3.575 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(Cc2csc(Cl)n2)CC1 ZINC000857084428 1136843156 /nfs/dbraw/zinc/84/31/56/1136843156.db2.gz SFYDUXWQUCPMBO-UHFFFAOYSA-N -1 0 336.844 3.874 20 0 EHADRM O=C(NCCOc1ccccc1F)c1cc(Cl)cc(Cl)c1[O-] ZINC001136108327 1136858771 /nfs/dbraw/zinc/85/87/71/1136858771.db2.gz KEANYCWUFAKSJQ-UHFFFAOYSA-N -1 0 344.169 3.647 20 0 EHADRM CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)[N-]OCc1ccccc1 ZINC000857432946 1136870182 /nfs/dbraw/zinc/87/01/82/1136870182.db2.gz NSBWHCNCFRNWBB-KRWDZBQOSA-N -1 0 333.815 3.991 20 0 EHADRM Cc1ccc2c(c1)CN(C(=O)c1n[n-]c3ccccc3c1=O)C(C)(C)C2 ZINC000818650884 1136887671 /nfs/dbraw/zinc/88/76/71/1136887671.db2.gz YDNKVLADZYZXNF-UHFFFAOYSA-N -1 0 347.418 3.621 20 0 EHADRM CCc1cccc(C)c1NC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000818785159 1136889213 /nfs/dbraw/zinc/88/92/13/1136889213.db2.gz COZBPSBBVCIHRK-UHFFFAOYSA-N -1 0 336.391 3.849 20 0 EHADRM Cc1cc(C)c(CNC(=O)c2ccc3oc(=S)[n-]c3c2)c(C)c1 ZINC001136181387 1136905623 /nfs/dbraw/zinc/90/56/23/1136905623.db2.gz LXJLWRNJXXZNBJ-UHFFFAOYSA-N -1 0 326.421 3.972 20 0 EHADRM COc1ccc(C2(C(=O)[N-]Oc3ccccc3)CCCC2)cc1OC ZINC000820049028 1136974903 /nfs/dbraw/zinc/97/49/03/1136974903.db2.gz OGTOWDKKPBPLRB-UHFFFAOYSA-N -1 0 341.407 3.626 20 0 EHADRM CCCc1n[nH]c(=S)n1CC(=O)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000116221452 1136983023 /nfs/dbraw/zinc/98/30/23/1136983023.db2.gz DGRWFBZJTJFNPG-CYBMUJFWSA-N -1 0 338.521 3.568 20 0 EHADRM COc1cc(C(=O)[N-]c2nnc(-c3ccc(C)cc3C)s2)sn1 ZINC001136410652 1137015983 /nfs/dbraw/zinc/01/59/83/1137015983.db2.gz HKCBAAVAYXOAAW-UHFFFAOYSA-N -1 0 346.437 3.539 20 0 EHADRM O=C(c1cccc(F)c1[O-])N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000821875904 1137041387 /nfs/dbraw/zinc/04/13/87/1137041387.db2.gz GJZSPLUTZGDMJQ-MRXNPFEDSA-N -1 0 339.370 3.775 20 0 EHADRM CN(CCC1CCCCC1)C(=O)c1ncc(Br)cc1[O-] ZINC001136528613 1137047031 /nfs/dbraw/zinc/04/70/31/1137047031.db2.gz QIJKKJOVFNDFRU-UHFFFAOYSA-N -1 0 341.249 3.592 20 0 EHADRM O=C(NCc1nc2ccccc2[nH]1)c1cc(Cl)cc(Cl)c1[O-] ZINC001136626886 1137074647 /nfs/dbraw/zinc/07/46/47/1137074647.db2.gz PRAVMJRDEVYAMM-UHFFFAOYSA-N -1 0 336.178 3.505 20 0 EHADRM Cc1cc2occ(CC(=O)N3CCc4cc(C(=O)[O-])ccc43)c2cc1C ZINC000013447988 1137085561 /nfs/dbraw/zinc/08/55/61/1137085561.db2.gz HRFIGTXYOAYCNT-UHFFFAOYSA-N -1 0 349.386 3.880 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1csc2c1CCCC2 ZINC000013447948 1137085569 /nfs/dbraw/zinc/08/55/69/1137085569.db2.gz UHIIOUFVNQYSPV-UHFFFAOYSA-N -1 0 327.405 3.528 20 0 EHADRM CN(C(=O)c1ccc2oc(=O)nc-2[n-]1)c1ccc(C(C)(C)C)cc1 ZINC000823151143 1137087248 /nfs/dbraw/zinc/08/72/48/1137087248.db2.gz LADFOZJPDBBXBC-UHFFFAOYSA-N -1 0 325.368 3.503 20 0 EHADRM CC(=O)c1cc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)c(C)nc1C ZINC000777168349 1137091640 /nfs/dbraw/zinc/09/16/40/1137091640.db2.gz XTTIWVBSXXEMAT-UHFFFAOYSA-N -1 0 341.392 3.583 20 0 EHADRM C[C@@H]1CC2(CN1C(=O)c1cc(Cl)cc(Cl)c1[O-])CCOCC2 ZINC000823674166 1137109113 /nfs/dbraw/zinc/10/91/13/1137109113.db2.gz SLWFXQJKDOSNEC-SNVBAGLBSA-N -1 0 344.238 3.730 20 0 EHADRM CC(C)[C@@H](NC(=O)c1ccc2oc(=O)nc-2[n-]1)c1ccccc1Cl ZINC001136785377 1137116047 /nfs/dbraw/zinc/11/60/47/1137116047.db2.gz YMENYNDBICPEPH-CQSZACIVSA-N -1 0 345.786 3.709 20 0 EHADRM CCO[C@H]1C[C@@H](N(C)C(=O)c2cccc(C(F)(F)F)c2[O-])C1(C)C ZINC001136924388 1137148755 /nfs/dbraw/zinc/14/87/55/1137148755.db2.gz XPGKOCWJFSSJOF-OLZOCXBDSA-N -1 0 345.361 3.687 20 0 EHADRM CSc1ccc(CSCC(=O)[N-]OCc2ccccc2)cc1 ZINC000794520432 1137183595 /nfs/dbraw/zinc/18/35/95/1137183595.db2.gz NWQIRRIEXJSPLR-UHFFFAOYSA-N -1 0 333.478 3.890 20 0 EHADRM COc1ccc([C@H]2CCN(C(=O)c3cccc(Cl)c3[O-])C2)cc1F ZINC000863694652 1137200020 /nfs/dbraw/zinc/20/00/20/1137200020.db2.gz RAVHTEQNCMSKSV-LBPRGKRZSA-N -1 0 349.789 3.823 20 0 EHADRM CC(C)OC(=O)C[C@H](NC(=O)c1cc2ccccc2cc1O)C(C)C ZINC001143815540 1137202999 /nfs/dbraw/zinc/20/29/99/1137202999.db2.gz YYJCXMQTNRYPGM-KRWDZBQOSA-N -1 0 343.423 3.642 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)NCC[C@]1(C)C[C@@]1(F)Cl)C1CCCCC1 ZINC000844267878 1137207450 /nfs/dbraw/zinc/20/74/50/1137207450.db2.gz LJTZDVQNLKCFQX-ZACQAIPSSA-N -1 0 347.858 3.869 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)NCC[C@]1(C)C[C@]1(F)Cl)C1CCCCC1 ZINC000844267876 1137207515 /nfs/dbraw/zinc/20/75/15/1137207515.db2.gz LJTZDVQNLKCFQX-BRWVUGGUSA-N -1 0 347.858 3.869 20 0 EHADRM CC[C@@H](NC(=O)N1C2CCC1(C(=O)[O-])CC2)c1cc(C)ccc1C ZINC000864058040 1137213487 /nfs/dbraw/zinc/21/34/87/1137213487.db2.gz QSAVMLZLNBOYTC-NLGTXKQRSA-N -1 0 330.428 3.546 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)/C=C\c1csc(C(F)(F)F)c1 ZINC000864112976 1137215773 /nfs/dbraw/zinc/21/57/73/1137215773.db2.gz NRLRCVMKDHWTHN-ARJAWSKDSA-N -1 0 349.374 3.739 20 0 EHADRM CCOC1CC2(C[C@@H]2C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)C1 ZINC000864121203 1137216075 /nfs/dbraw/zinc/21/60/75/1137216075.db2.gz IUCJAPNTXMQIEE-YNAXMUEKSA-N -1 0 345.420 3.743 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CCc1ccc(F)c2ccccc12 ZINC000864118959 1137216082 /nfs/dbraw/zinc/21/60/82/1137216082.db2.gz RDMAUUBKVFQACE-IBGZPJMESA-N -1 0 331.387 3.671 20 0 EHADRM CCO[C@@H](C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)C1CCCC1 ZINC000864122724 1137216289 /nfs/dbraw/zinc/21/62/89/1137216289.db2.gz UUKLMCOHNDVIKO-MRXNPFEDSA-N -1 0 333.428 3.583 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cc3c(cccc3C3CC3)[nH]2)CCCC1 ZINC000864142902 1137217078 /nfs/dbraw/zinc/21/70/78/1137217078.db2.gz VEZFQHKSTYYZQM-UHFFFAOYSA-N -1 0 326.396 3.563 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000864147799 1137217097 /nfs/dbraw/zinc/21/70/97/1137217097.db2.gz QBJOKAJIROEUOA-KSSFIOAISA-N -1 0 339.391 3.723 20 0 EHADRM Cc1cc2c(CC(=O)N[C@@H]3CCC[C@@]3(C)C(=O)[O-])csc2s1 ZINC000864156519 1137217388 /nfs/dbraw/zinc/21/73/88/1137217388.db2.gz YFHJAVXHSNIGQF-MLGOLLRUSA-N -1 0 337.466 3.573 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N[C@H](C2CCCCC2)C(F)(F)F)o1 ZINC000864156733 1137217420 /nfs/dbraw/zinc/21/74/20/1137217420.db2.gz BHNPOZYDIFRMAQ-IUCKJTJTSA-N -1 0 345.317 3.618 20 0 EHADRM C/C(=C\C(=O)N1CCC(c2ncc(C(=O)[O-])s2)CC1)C(C)(C)C ZINC000864169610 1137217689 /nfs/dbraw/zinc/21/76/89/1137217689.db2.gz RZBMUAPGVBCVKR-PKNBQFBNSA-N -1 0 336.457 3.540 20 0 EHADRM O=C(/C=C/c1cc(C(=O)[O-])co1)Nc1cccc(C2CCOCC2)c1 ZINC000864173808 1137217952 /nfs/dbraw/zinc/21/79/52/1137217952.db2.gz PFYTVZGZGLWKTP-SNAWJCMRSA-N -1 0 341.363 3.524 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)o1 ZINC000864177045 1137217956 /nfs/dbraw/zinc/21/79/56/1137217956.db2.gz DNYJMVRUYGONSC-AOOXPWSASA-N -1 0 339.391 3.834 20 0 EHADRM CC[C@@H](c1ccccc1OC)N(C)C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000864178235 1137218068 /nfs/dbraw/zinc/21/80/68/1137218068.db2.gz ZWNAHKKLLWRWBV-SCOAYWHSSA-N -1 0 343.379 3.609 20 0 EHADRM Cc1ccc(N(CC2CC2)C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1F ZINC000864179077 1137218113 /nfs/dbraw/zinc/21/81/13/1137218113.db2.gz PQSHKXDXPRQLJS-CABCVRRESA-N -1 0 333.403 3.768 20 0 EHADRM O=C([O-])c1coc(CNC(=O)C2(Sc3ccccc3)CCCC2)c1 ZINC000864193037 1137218587 /nfs/dbraw/zinc/21/85/87/1137218587.db2.gz LFSDRAXLNATQRS-UHFFFAOYSA-N -1 0 345.420 3.699 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)CCCc1ccc2ccccc2c1)C1CC1 ZINC000864203836 1137218907 /nfs/dbraw/zinc/21/89/07/1137218907.db2.gz KMWHTKBKAJKAQS-NRFANRHFSA-N -1 0 339.435 3.922 20 0 EHADRM COc1ccc2sc(C(=O)N[C@@](C)(CC(=O)[O-])C3CC3)c(C)c2c1 ZINC000864199712 1137218969 /nfs/dbraw/zinc/21/89/69/1137218969.db2.gz WAJJTNHIHJOJAP-SFHVURJKSA-N -1 0 347.436 3.592 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)CCCc1ccc2ccccc2c1)C1CC1 ZINC000864203837 1137218990 /nfs/dbraw/zinc/21/89/90/1137218990.db2.gz KMWHTKBKAJKAQS-OAQYLSRUSA-N -1 0 339.435 3.922 20 0 EHADRM Cc1nc(C2CCN(C(=O)/C=C\C3CCCC3)CC2)sc1C(=O)[O-] ZINC000864225198 1137219034 /nfs/dbraw/zinc/21/90/34/1137219034.db2.gz OUFJQYYINJWQFW-SREVYHEPSA-N -1 0 348.468 3.602 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)Cc2ccc(Cl)s2)c1 ZINC000864231612 1137219577 /nfs/dbraw/zinc/21/95/77/1137219577.db2.gz IMCVAYQXBWCEKI-CYBMUJFWSA-N -1 0 337.828 3.585 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cccc(C)c2NC(C)=O)c1 ZINC000794609113 1137220574 /nfs/dbraw/zinc/22/05/74/1137220574.db2.gz LVAUQOJJPUIIDX-UHFFFAOYSA-N -1 0 340.379 3.504 20 0 EHADRM Cc1sc(C)c2c1[n-]c(-c1cc(OCC(F)F)ccn1)nc2=O ZINC000864354991 1137223244 /nfs/dbraw/zinc/22/32/44/1137223244.db2.gz JYZGOCCCNBDTFQ-UHFFFAOYSA-N -1 0 337.351 3.720 20 0 EHADRM CC(C)(C)c1csc(CNCc2cccc(CCC(=O)[O-])c2)n1 ZINC000864518504 1137231497 /nfs/dbraw/zinc/23/14/97/1137231497.db2.gz LTLXFBVMXOPTRP-UHFFFAOYSA-N -1 0 332.469 3.748 20 0 EHADRM CCc1ccccc1[C@@H](CC(=O)[O-])NCc1csc(C2CC2)n1 ZINC000864527510 1137232538 /nfs/dbraw/zinc/23/25/38/1137232538.db2.gz DREXERFBUNMJDG-MRXNPFEDSA-N -1 0 330.453 3.889 20 0 EHADRM CCOCc1ccc(-c2ccc(-n3[n-]c(C)cc3=O)nc2)cc1F ZINC000864535827 1137233530 /nfs/dbraw/zinc/23/35/30/1137233530.db2.gz MSGYELZUKHYUEJ-UHFFFAOYSA-N -1 0 327.359 3.537 20 0 EHADRM COc1cc(C)c(NC(=O)NCc2ccccc2C(=O)[O-])c(C)c1C ZINC000864606719 1137236380 /nfs/dbraw/zinc/23/63/80/1137236380.db2.gz VIWHZOGLHKFUJQ-UHFFFAOYSA-N -1 0 342.395 3.640 20 0 EHADRM C[C@H](C1CC1)N(C(=O)c1cc(Br)cc(F)c1[O-])C1CC1 ZINC000864844160 1137248559 /nfs/dbraw/zinc/24/85/59/1137248559.db2.gz LHRJEZOQQVRXMT-MRVPVSSYSA-N -1 0 342.208 3.697 20 0 EHADRM COc1ccc(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC000846269736 1137344666 /nfs/dbraw/zinc/34/46/66/1137344666.db2.gz BVHJFAIOSGYFHN-MRXNPFEDSA-N -1 0 331.799 3.533 20 0 EHADRM O=C([O-])[C@]12CCC[C@@H]1C[N@H+](Cc1cc(Cl)ccc1OC(F)F)C2 ZINC000846283890 1137344986 /nfs/dbraw/zinc/34/49/86/1137344986.db2.gz JZAKUVABIWBTPL-BZNIZROVSA-N -1 0 345.773 3.628 20 0 EHADRM O=C([O-])[C@]1(C(=O)N2CCC[C@H](c3ccccc3)CC2)CC=CCC1 ZINC000846708486 1137363210 /nfs/dbraw/zinc/36/32/10/1137363210.db2.gz RISTXCRDOAEXBL-FXAWDEMLSA-N -1 0 327.424 3.594 20 0 EHADRM O=C(N[C@H]1CCc2ccc(F)cc21)c1ccc2oc(=S)[n-]c2c1 ZINC001144927735 1137364313 /nfs/dbraw/zinc/36/43/13/1137364313.db2.gz NRCKDAYQKIROJB-ZDUSSCGKSA-N -1 0 328.368 3.673 20 0 EHADRM O=S(=O)([N-]c1cccnc1-c1ccccc1)c1ccccc1F ZINC000339076766 1137383766 /nfs/dbraw/zinc/38/37/66/1137383766.db2.gz DGAXIONNTUHICC-UHFFFAOYSA-N -1 0 328.368 3.689 20 0 EHADRM Cc1nn(C)c(C)c1C(=O)Nc1cc(Cl)c(C)c(Cl)c1[O-] ZINC001146852390 1137396223 /nfs/dbraw/zinc/39/62/23/1137396223.db2.gz NHOVZSNIDBTMCU-UHFFFAOYSA-N -1 0 328.199 3.610 20 0 EHADRM CCCN(C(=O)c1cc(F)cc(F)c1[O-])[C@H]1C[C@@H](OCC)C1(C)C ZINC001147227715 1137403122 /nfs/dbraw/zinc/40/31/22/1137403122.db2.gz VDTZFYMXSNNXFG-LSDHHAIUSA-N -1 0 341.398 3.726 20 0 EHADRM CC(C)c1cc(NC(=O)c2cc(Br)c(F)cc2[O-])no1 ZINC001148269781 1137421890 /nfs/dbraw/zinc/42/18/90/1137421890.db2.gz VHFZVOICODTGGQ-UHFFFAOYSA-N -1 0 343.152 3.658 20 0 EHADRM COc1cccc2c1CC[C@H]2NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000122295081 1137423940 /nfs/dbraw/zinc/42/39/40/1137423940.db2.gz UQZYOOCAHDLLKD-CYBMUJFWSA-N -1 0 340.404 3.542 20 0 EHADRM CCc1oc(C(=O)NCc2ccc(Cl)cc2Cl)cc1C(=O)[O-] ZINC000339086962 1137434600 /nfs/dbraw/zinc/43/46/00/1137434600.db2.gz PZOOOPNMPGDONF-UHFFFAOYSA-N -1 0 342.178 3.777 20 0 EHADRM COc1ccc(C(=O)Nc2ccccc2[S-])c(Br)c1 ZINC001148975024 1137438955 /nfs/dbraw/zinc/43/89/55/1137438955.db2.gz JEQYWGSCBLZMCS-UHFFFAOYSA-N -1 0 338.226 3.999 20 0 EHADRM CC1(C)CN(C(=O)c2ccc3oc(=S)[n-]c3c2)[C@@H]1c1ccco1 ZINC000869788410 1137466122 /nfs/dbraw/zinc/46/61/22/1137466122.db2.gz PFTFQEKKJDPOHS-CQSZACIVSA-N -1 0 328.393 3.933 20 0 EHADRM CCOCCO[N-]C(=O)CSc1cccc2cccc(Cl)c21 ZINC000773135918 1137467595 /nfs/dbraw/zinc/46/75/95/1137467595.db2.gz PNVPYXMENALING-UHFFFAOYSA-N -1 0 339.844 3.670 20 0 EHADRM CC(C)(C)OC(=O)CCCCNC(=O)c1cc2sccc2c(O)c1 ZINC001171401567 1137472073 /nfs/dbraw/zinc/47/20/73/1137472073.db2.gz CGHSDKOUZIWTAM-UHFFFAOYSA-N -1 0 349.452 3.849 20 0 EHADRM CC(C)(C)OC1CCC(NC(=O)c2cc(F)c([O-])c(F)c2)CC1 ZINC000870491814 1137495590 /nfs/dbraw/zinc/49/55/90/1137495590.db2.gz YWEMORIWVJRZJH-UHFFFAOYSA-N -1 0 327.371 3.527 20 0 EHADRM CC(C)(Nc1cc(Br)cc(C(=O)[O-])c1)c1ccncc1 ZINC001171515909 1137495850 /nfs/dbraw/zinc/49/58/50/1137495850.db2.gz AVWVHIVVFVUEHF-UHFFFAOYSA-N -1 0 335.201 3.890 20 0 EHADRM O=C(Nc1ccnn1-c1ccc(F)cc1)c1ccc(Cl)c([O-])c1 ZINC001171935077 1137521500 /nfs/dbraw/zinc/52/15/00/1137521500.db2.gz XXTNNMHRQSPKDO-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM COc1cc(C2(C(=O)[N-]OCCCC(F)(F)F)CCC2)ccc1C ZINC000871211589 1137527086 /nfs/dbraw/zinc/52/70/86/1137527086.db2.gz VUQXIRYTUVBXDX-UHFFFAOYSA-N -1 0 345.361 3.816 20 0 EHADRM O=C(Nc1ccc(OCc2cccnc2)cc1)c1ccc(F)cc1[O-] ZINC000123681703 1137547476 /nfs/dbraw/zinc/54/74/76/1137547476.db2.gz LMPNQARTGYTODO-UHFFFAOYSA-N -1 0 338.338 3.758 20 0 EHADRM CCc1cc(-n2[n-]c3c(c2=O)CCC(C)(C)C3)nc(-c2ccccn2)n1 ZINC000871950543 1137563588 /nfs/dbraw/zinc/56/35/88/1137563588.db2.gz BAWOBLFSGDFXKD-CQSZACIVSA-N -1 0 349.438 3.630 20 0 EHADRM CC1(C)CCc2c([n-]n(-c3nnc(-c4ccccc4)s3)c2=O)C1 ZINC000871949411 1137563602 /nfs/dbraw/zinc/56/36/02/1137563602.db2.gz ZWBQNGAFZLELPQ-LBPRGKRZSA-N -1 0 326.425 3.734 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2ncc(CC)o2)cc1C(C)C ZINC000872003816 1137564276 /nfs/dbraw/zinc/56/42/76/1137564276.db2.gz XWQJTNZDSNMOQI-UHFFFAOYSA-N -1 0 338.429 3.560 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cccc3ccoc32)noc1C(C)(C)C ZINC000872009486 1137564316 /nfs/dbraw/zinc/56/43/16/1137564316.db2.gz ZNVZJRRJMBSUNG-UHFFFAOYSA-N -1 0 334.397 3.828 20 0 EHADRM O=C([O-])[C@H](CC1CC1)NC(=O)c1ccccc1SCc1ccco1 ZINC000872746927 1137583570 /nfs/dbraw/zinc/58/35/70/1137583570.db2.gz FFMQVXNUATVSEJ-HNNXBMFYSA-N -1 0 345.420 3.555 20 0 EHADRM CC[C@](C)(CC(=O)[O-])C(=O)Nc1ccc(OC)c(OC2CCCC2)c1 ZINC000872836167 1137585256 /nfs/dbraw/zinc/58/52/56/1137585256.db2.gz UMWDGDRKHPNMQX-LJQANCHMSA-N -1 0 349.427 3.846 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])C(=O)N[C@@H](C)c1ccccc1C(F)(F)F ZINC000872838929 1137585370 /nfs/dbraw/zinc/58/53/70/1137585370.db2.gz JSVKTKMCAILBFM-BONVTDFDSA-N -1 0 331.334 3.774 20 0 EHADRM C[C@H](NC(=O)C(C)(C)SCC(=O)[O-])c1cc2ccccc2s1 ZINC000872844883 1137585496 /nfs/dbraw/zinc/58/54/96/1137585496.db2.gz ZBJKJWRTIMIJBG-JTQLQIEISA-N -1 0 337.466 3.675 20 0 EHADRM Cc1c(NC(=O)C(C)(C)SCC(=O)[O-])cccc1C(F)(F)F ZINC000872850561 1137585542 /nfs/dbraw/zinc/58/55/42/1137585542.db2.gz YDEKITQBKAGMHU-UHFFFAOYSA-N -1 0 335.347 3.549 20 0 EHADRM C[C@H](c1ccccc1)N(C)C(=O)C[C@@]1(C(=O)[O-])CCc2ccccc21 ZINC000872887912 1137586059 /nfs/dbraw/zinc/58/60/59/1137586059.db2.gz QVNGERWQKLJTON-VFNWGFHPSA-N -1 0 337.419 3.565 20 0 EHADRM O=C([O-])C1=C(C(=O)Nc2ccccc2CC(F)(F)F)CCCC1 ZINC000872937349 1137586660 /nfs/dbraw/zinc/58/66/60/1137586660.db2.gz KZXKFMNRBVDKNC-UHFFFAOYSA-N -1 0 327.302 3.685 20 0 EHADRM CCC(CC)(CC(=O)N[C@@H]1CC2(CCC2)Oc2ccccc21)C(=O)[O-] ZINC000872953177 1137586877 /nfs/dbraw/zinc/58/68/77/1137586877.db2.gz ANJYXFHVRYJHDY-OAHLLOKOSA-N -1 0 345.439 3.830 20 0 EHADRM CC(C)C[C@@](C)(CC(=O)[O-])C(=O)NC[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000872998150 1137587792 /nfs/dbraw/zinc/58/77/92/1137587792.db2.gz PACJYUSDNZCKNI-ZENOOKHLSA-N -1 0 349.393 3.774 20 0 EHADRM C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000874351775 1137613273 /nfs/dbraw/zinc/61/32/73/1137613273.db2.gz MMLDKFOBCGBGIY-STQMWFEESA-N -1 0 327.380 3.868 20 0 EHADRM Cc1csc([C@H]2CCN(C(=O)c3ccc4[n-]c(=S)oc4c3)C2)n1 ZINC000874492031 1137615853 /nfs/dbraw/zinc/61/58/53/1137615853.db2.gz BGPFYUBAKCIOIQ-NSHDSACASA-N -1 0 345.449 3.511 20 0 EHADRM O=Cc1cc(-c2ccc(SC(F)F)cc2)ccc1OCC(=O)[O-] ZINC000874970178 1137627225 /nfs/dbraw/zinc/62/72/25/1137627225.db2.gz ZPEODTBJCRGIFC-UHFFFAOYSA-N -1 0 338.331 3.944 20 0 EHADRM O=Cc1cc(-c2cccc(Cl)c2Cl)ccc1OCC(=O)[O-] ZINC000874969284 1137627262 /nfs/dbraw/zinc/62/72/62/1137627262.db2.gz MHHOPEWPXIZUPC-UHFFFAOYSA-N -1 0 325.147 3.936 20 0 EHADRM O=Cc1cccc(-c2ccc(C(=O)Nc3cccc(C(=O)[O-])c3)o2)c1 ZINC000874971941 1137627370 /nfs/dbraw/zinc/62/73/70/1137627370.db2.gz FJCNNLRXDXBNQD-UHFFFAOYSA-N -1 0 335.315 3.710 20 0 EHADRM CCN(C(=O)c1n[nH]c(C)c1[O-])C(c1ccccc1)c1ccccc1 ZINC001137172281 1137819620 /nfs/dbraw/zinc/81/96/20/1137819620.db2.gz BJAYGTQKGSEIFM-UHFFFAOYSA-N -1 0 335.407 3.675 20 0 EHADRM O=c1[nH]c(CN2CCOCc3ccccc32)nc2c3ccccc3oc21 ZINC000348243465 1137873685 /nfs/dbraw/zinc/87/36/85/1137873685.db2.gz LQRQCFXQTGMWHA-UHFFFAOYSA-N -1 0 347.374 3.618 20 0 EHADRM O=C(Nc1ccc(F)c(Br)c1[O-])NC1CCCCC1 ZINC001202616982 1137887164 /nfs/dbraw/zinc/88/71/64/1137887164.db2.gz PTAWVITWHNXKOO-UHFFFAOYSA-N -1 0 331.185 3.748 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N(C)[C@@H]2CCCc3ccccc32)cc1 ZINC000107943654 1137888241 /nfs/dbraw/zinc/88/82/41/1137888241.db2.gz WFMZXNJGYYGHNL-DVECYGJZSA-N -1 0 341.476 3.639 20 0 EHADRM Cc1cccc(S([O-])=CC(=O)N(C)[C@@H]2CCCc3ccccc32)c1 ZINC000108099898 1137888660 /nfs/dbraw/zinc/88/86/60/1137888660.db2.gz BPSOFXZFUKVTNT-NTKDMRAZSA-N -1 0 341.476 3.639 20 0 EHADRM Cc1cccc(S([O-])=CC(=O)N(C)[C@H]2CCCc3ccccc32)c1 ZINC000108099907 1137888673 /nfs/dbraw/zinc/88/86/73/1137888673.db2.gz BPSOFXZFUKVTNT-CYFREDJKSA-N -1 0 341.476 3.639 20 0 EHADRM O=S(=O)(/C=C/c1ccccc1F)[N-]c1cc(-c2ccccc2)on1 ZINC000800039995 1137895363 /nfs/dbraw/zinc/89/53/63/1137895363.db2.gz VPOWFDPIOLJRQR-ZHACJKMWSA-N -1 0 344.367 3.893 20 0 EHADRM CC[C@H]1CC[C@@H](C)N1C(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000331446469 1137908808 /nfs/dbraw/zinc/90/88/08/1137908808.db2.gz WUPFFLBBYWFVCY-MNOVXSKESA-N -1 0 336.486 3.792 20 0 EHADRM CCCc1nc(=NC(=O)N2CC[C@H](C)[C@@H]2c2cccc(F)c2)s[n-]1 ZINC000331474711 1137909727 /nfs/dbraw/zinc/90/97/27/1137909727.db2.gz DHLCQAVDMAUZAX-XHDPSFHLSA-N -1 0 348.447 3.667 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N2CCC[C@@H]2c2ccsc2)s1 ZINC000331642573 1137915745 /nfs/dbraw/zinc/91/57/45/1137915745.db2.gz QVQFBNYBQJEZDX-SNVBAGLBSA-N -1 0 340.499 3.503 20 0 EHADRM O=C(c1ccc(Cl)c([O-])c1)N1CCSC2(CCCCC2)C1 ZINC001137216487 1137981803 /nfs/dbraw/zinc/98/18/03/1137981803.db2.gz LZWSPXDYCFJWQI-UHFFFAOYSA-N -1 0 325.861 3.938 20 0 EHADRM C[C@@H](c1cccc(O)c1)N(C)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000137041203 1138045350 /nfs/dbraw/zinc/04/53/50/1138045350.db2.gz BTPOEBVFWBLLQL-JTQLQIEISA-N -1 0 328.393 3.655 20 0 EHADRM CCSCc1cccnc1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000886445126 1138078761 /nfs/dbraw/zinc/07/87/61/1138078761.db2.gz WWPFSOJUVXJWKA-UHFFFAOYSA-N -1 0 340.445 3.583 20 0 EHADRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccccc1CCC(F)(F)F ZINC000089103004 1138195360 /nfs/dbraw/zinc/19/53/60/1138195360.db2.gz ZLBQJYZSRSYSIC-UHFFFAOYSA-N -1 0 348.346 3.587 20 0 EHADRM Cc1cccc(C2=CCN(Cc3nc(=O)c4sccc4[n-]3)CC2)c1 ZINC000092821909 1138231929 /nfs/dbraw/zinc/23/19/29/1138231929.db2.gz HABFNWVCEOADOZ-UHFFFAOYSA-N -1 0 337.448 3.582 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N(C[C@H]1CCOC1)C1CC1 ZINC000094056427 1138243464 /nfs/dbraw/zinc/24/34/64/1138243464.db2.gz DMEHFJNXXURRFM-GFCCVEGCSA-N -1 0 345.826 3.840 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)NCc1cscc1Cl)c1ccsc1 ZINC000887319334 1138264468 /nfs/dbraw/zinc/26/44/68/1138264468.db2.gz RHRGJESOMWCVCI-AWEZNQCLSA-N -1 0 343.857 3.512 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1)C1CC1 ZINC000887382253 1138294070 /nfs/dbraw/zinc/29/40/70/1138294070.db2.gz BBVGOEBXQAQVST-UFBFGSQYSA-N -1 0 348.296 3.729 20 0 EHADRM CC(C)(C)OCc1cccc(CNC(=O)CC2(C(=O)[O-])CCCC2)c1 ZINC000263785034 1138364746 /nfs/dbraw/zinc/36/47/46/1138364746.db2.gz WDXLTJHSMVRJSA-UHFFFAOYSA-N -1 0 347.455 3.653 20 0 EHADRM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1ccc2n[nH]cc2c1 ZINC000348440695 1138447816 /nfs/dbraw/zinc/44/78/16/1138447816.db2.gz KADOPUGGXYFUOJ-UHFFFAOYSA-N -1 0 345.355 3.557 20 0 EHADRM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000348441642 1138480799 /nfs/dbraw/zinc/48/07/99/1138480799.db2.gz LKFLLEMHXMMEDF-UHFFFAOYSA-N -1 0 341.310 3.959 20 0 EHADRM C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000131463451 1138519607 /nfs/dbraw/zinc/51/96/07/1138519607.db2.gz UJMQYBDNFGPTAL-MEDUHNTESA-N -1 0 349.789 3.787 20 0 EHADRM Cc1csc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)n1 ZINC000337746752 1138658129 /nfs/dbraw/zinc/65/81/29/1138658129.db2.gz DDGGXGWVSAEASE-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM O=S(=O)([N-]c1ccc2ncsc2c1)c1cnc2ccccc2c1 ZINC000337762597 1138662301 /nfs/dbraw/zinc/66/23/01/1138662301.db2.gz QECWJZAXZLSNEZ-UHFFFAOYSA-N -1 0 341.417 3.645 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@H]2CC(C)(C)Oc3cc(F)ccc32)s[n-]1 ZINC000337786341 1138667469 /nfs/dbraw/zinc/66/74/69/1138667469.db2.gz BMBBHWOXGJIGKM-CABZTGNLSA-N -1 0 337.420 3.521 20 0 EHADRM CSc1cccc(S(=O)(=O)[N-]c2cccc3ccn(C)c32)c1 ZINC000337845053 1138680937 /nfs/dbraw/zinc/68/09/37/1138680937.db2.gz HHUDXYJYYIODBO-UHFFFAOYSA-N -1 0 332.450 3.701 20 0 EHADRM CO[C@@H](C)c1nsc(=NCCCO[C@@H]2CCCc3ccccc32)[n-]1 ZINC000337886434 1138691194 /nfs/dbraw/zinc/69/11/94/1138691194.db2.gz YGEJYWIDQXHXSK-XJKSGUPXSA-N -1 0 347.484 3.564 20 0 EHADRM CO[C@@H](C)c1nc(=NCc2nc3cc(Cl)ccc3s2)s[n-]1 ZINC000337934037 1138700915 /nfs/dbraw/zinc/70/09/15/1138700915.db2.gz BXTUDCHYGYAHOU-ZETCQYMHSA-N -1 0 340.861 3.543 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@@H](c2ccc(C)cc2)c2ccccn2)s[n-]1 ZINC000337944808 1138703933 /nfs/dbraw/zinc/70/39/33/1138703933.db2.gz RMLSKMOCFZDGAU-BBRMVZONSA-N -1 0 340.452 3.572 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)ccc1Oc1ccccc1)c1cn[nH]c1 ZINC000338062744 1138737625 /nfs/dbraw/zinc/73/76/25/1138737625.db2.gz RMCCJFWLMMETFP-UHFFFAOYSA-N -1 0 349.799 3.656 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)c2nc(-c3ccccc3)cs2)s[n-]1 ZINC000338170453 1138773386 /nfs/dbraw/zinc/77/33/86/1138773386.db2.gz GXPFUJXFRKUKSN-UHFFFAOYSA-N -1 0 344.465 3.633 20 0 EHADRM Cc1ccc([C@H]2CCCCCN2C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)o1 ZINC000180016688 1139801848 /nfs/dbraw/zinc/80/18/48/1139801848.db2.gz ADVLCFLGIZYISG-OWCLPIDISA-N -1 0 333.428 3.923 20 0 EHADRM CCCCCC[C@](C)(NC(=O)c1sc(CC)nc1C)C(=O)[O-] ZINC000777372718 1139916699 /nfs/dbraw/zinc/91/66/99/1139916699.db2.gz XAHYWOOTVIZLKG-INIZCTEOSA-N -1 0 326.462 3.557 20 0 EHADRM CC[C@@H]([N-]C(=O)C(F)(F)F)c1cc(F)cc(Br)c1 ZINC000777396378 1140053582 /nfs/dbraw/zinc/05/35/82/1140053582.db2.gz QIWQUYPTWVPJEB-SECBINFHSA-N -1 0 328.103 3.718 20 0 EHADRM CCC(CC)n1ncc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)c1C ZINC000191022854 1140431282 /nfs/dbraw/zinc/43/12/82/1140431282.db2.gz LJUGKMKEZRRPID-UHFFFAOYSA-N -1 0 343.427 3.822 20 0 EHADRM Cc1nc(CCCC(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cs1 ZINC000191398675 1140461769 /nfs/dbraw/zinc/46/17/69/1140461769.db2.gz ONVPQHMFJIKTOI-GFCCVEGCSA-N -1 0 346.452 3.676 20 0 EHADRM C[C@@H](NC(=O)C1CCC(C(=O)[O-])CC1)c1cccc(C(F)(F)F)c1 ZINC000194384049 1140606784 /nfs/dbraw/zinc/60/67/84/1140606784.db2.gz CXUNYHZQHCRCBC-VOMCLLRMSA-N -1 0 343.345 3.774 20 0 EHADRM CCc1oc2ccccc2c1CN(C)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000194386020 1140606940 /nfs/dbraw/zinc/60/69/40/1140606940.db2.gz MLMJPKUTIUHVRK-UHFFFAOYSA-N -1 0 343.423 3.845 20 0 EHADRM O=C([O-])C1CCC(C(=O)N[C@@H](CC2CCC2)c2ccccc2)CC1 ZINC000194443470 1140609744 /nfs/dbraw/zinc/60/97/44/1140609744.db2.gz FXTJYVRSOINQFS-ABHNRTSZSA-N -1 0 329.440 3.925 20 0 EHADRM CSc1ccc(NC(=O)C2CCC(C(=O)[O-])CC2)cc1Cl ZINC000194430952 1140609882 /nfs/dbraw/zinc/60/98/82/1140609882.db2.gz QRBAIUKJRMEBST-UHFFFAOYSA-N -1 0 327.833 3.891 20 0 EHADRM Cc1ncc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C)s1 ZINC000269919487 1141158075 /nfs/dbraw/zinc/15/80/75/1141158075.db2.gz ADCJMKNAUSTDBU-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM C[C@H](NC(=O)CC(C)(C)C(=O)[O-])[C@@H](C)c1ccccc1C(F)(F)F ZINC000270891831 1141280319 /nfs/dbraw/zinc/28/03/19/1141280319.db2.gz PFOXROBLYWWVTM-MNOVXSKESA-N -1 0 345.361 3.815 20 0 EHADRM Cc1sc(NC(=O)c2ccc(Br)o2)c(C(=O)[O-])c1C ZINC000020332780 202037947 /nfs/dbraw/zinc/03/79/47/202037947.db2.gz OUBOPWZCPBGSSP-UHFFFAOYSA-N -1 0 344.186 3.671 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1Br ZINC000033859610 202269681 /nfs/dbraw/zinc/26/96/81/202269681.db2.gz CCESDWMBDMWXEH-UHFFFAOYSA-N -1 0 332.244 3.620 20 0 EHADRM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccccc1-n1cccn1 ZINC000071975899 203156146 /nfs/dbraw/zinc/15/61/46/203156146.db2.gz RVWPPMNVRJHFLH-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM CC(C)Sc1ccc([C@@H](C)NC(=O)CCSCC(=O)[O-])cc1 ZINC000736500425 599758808 /nfs/dbraw/zinc/75/88/08/599758808.db2.gz YPHDGBHZJJNMNW-GFCCVEGCSA-N -1 0 341.498 3.572 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000054302582 597050948 /nfs/dbraw/zinc/05/09/48/597050948.db2.gz ZXKHRHKWIKEHQW-SECBINFHSA-N -1 0 331.199 3.712 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000676217489 597096085 /nfs/dbraw/zinc/09/60/85/597096085.db2.gz UMADGMOVCHFFPU-AWEZNQCLSA-N -1 0 335.403 3.585 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)Nc2cccc(CC(F)(F)F)c2)C1 ZINC000581299923 597121496 /nfs/dbraw/zinc/12/14/96/597121496.db2.gz RIJUHEFWRHRTEG-GFCCVEGCSA-N -1 0 344.333 3.510 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1ccccc1CC(F)(F)F ZINC000263134164 597139807 /nfs/dbraw/zinc/13/98/07/597139807.db2.gz YSLXLGNVPPWOEV-UHFFFAOYSA-N -1 0 332.322 3.556 20 0 EHADRM C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)CSCC(=O)[O-] ZINC000559388455 597151769 /nfs/dbraw/zinc/15/17/69/597151769.db2.gz BOLQBNXCNUYCFM-AWEZNQCLSA-N -1 0 343.448 3.691 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1ccc(C2SCCS2)cc1 ZINC000262414570 597152338 /nfs/dbraw/zinc/15/23/38/597152338.db2.gz ZMUSMSANQYBLSC-UHFFFAOYSA-N -1 0 339.482 3.540 20 0 EHADRM Cc1c(Cl)cccc1NC(=S)NCc1ccc(C(=O)[O-])cc1 ZINC000013813198 597163327 /nfs/dbraw/zinc/16/33/27/597163327.db2.gz ILEMSYODPAQGFE-UHFFFAOYSA-N -1 0 334.828 3.833 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)NCc2cccc3ccccc32)c1 ZINC000327182662 597186177 /nfs/dbraw/zinc/18/61/77/597186177.db2.gz BCQBEGRYICTRML-UHFFFAOYSA-N -1 0 334.375 3.789 20 0 EHADRM CCCCc1nc(C[S@@](=O)Cc2ccc(C(=O)[O-])cc2)cs1 ZINC000818171802 597285988 /nfs/dbraw/zinc/28/59/88/597285988.db2.gz GYRZZILOCQQUAJ-QFIPXVFZSA-N -1 0 337.466 3.633 20 0 EHADRM O=C([O-])CCCNC(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000819443271 597319723 /nfs/dbraw/zinc/31/97/23/597319723.db2.gz ZIXCKVYJWJBHFA-UHFFFAOYSA-N -1 0 334.416 3.522 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N1CCc2c(Cl)cccc2C1 ZINC000819608776 597335528 /nfs/dbraw/zinc/33/55/28/597335528.db2.gz BCQSFZMYVUVGQX-UHFFFAOYSA-N -1 0 344.798 3.557 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N[C@H]1CCCCc2ccccc21 ZINC000819610395 597336729 /nfs/dbraw/zinc/33/67/29/597336729.db2.gz QOSADPRRLYHMSN-SFHVURJKSA-N -1 0 338.407 3.903 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000821515617 597348966 /nfs/dbraw/zinc/34/89/66/597348966.db2.gz KKRBGIYVGWFTSH-VIFPVBQESA-N -1 0 349.736 3.686 20 0 EHADRM CCSc1ccc(CC(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000820405152 597376536 /nfs/dbraw/zinc/37/65/36/597376536.db2.gz DIXAPULCMUMHKJ-UHFFFAOYSA-N -1 0 329.421 3.607 20 0 EHADRM CC(C)[C@@H](C(=O)Nc1ccccc1CC(=O)[O-])c1ccc(F)cc1 ZINC000819955154 597407058 /nfs/dbraw/zinc/40/70/58/597407058.db2.gz LIRZTMBUWQXQCZ-GOSISDBHSA-N -1 0 329.371 3.831 20 0 EHADRM Cc1c(C(=O)Nc2ccc(C(=O)[O-])cc2F)cnn1C1CCCCC1 ZINC000820940031 597673593 /nfs/dbraw/zinc/67/35/93/597673593.db2.gz BSYVPBCUNXFRCY-UHFFFAOYSA-N -1 0 345.374 3.786 20 0 EHADRM C[C@@H](CC(=O)OCc1cccc(-c2nn[nH]n2)c1)C1CCCCC1 ZINC000735974225 598288863 /nfs/dbraw/zinc/28/88/63/598288863.db2.gz BABVXJXRJTXTDQ-ZDUSSCGKSA-N -1 0 328.416 3.516 20 0 EHADRM C[C@H](c1ccccc1)c1ccc(Oc2nccnc2-c2nnn[n-]2)cc1 ZINC000736202770 598756879 /nfs/dbraw/zinc/75/68/79/598756879.db2.gz LIRCAYLBNYUNEX-CYBMUJFWSA-N -1 0 344.378 3.601 20 0 EHADRM Cc1cccc(Oc2ccccc2NC(=O)CCCNC(=O)[O-])c1 ZINC000738744604 599708970 /nfs/dbraw/zinc/70/89/70/599708970.db2.gz MJJLIQUXCUHOJX-UHFFFAOYSA-N -1 0 328.368 3.774 20 0 EHADRM CCCC[C@H](Sc1nc2ccccc2c(=O)n1C(C)C)C(=O)[O-] ZINC000736984483 599710002 /nfs/dbraw/zinc/71/00/02/599710002.db2.gz JEQIAOFFNWFGCS-AWEZNQCLSA-N -1 0 334.441 3.713 20 0 EHADRM CCCC[C@@H](Sc1nnc(-c2cccs2)n1CC)C(=O)[O-] ZINC000736985769 599710062 /nfs/dbraw/zinc/71/00/62/599710062.db2.gz RIVOQVSUSJKILF-LLVKDONJSA-N -1 0 325.459 3.762 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N[C@@H]2CCCc3occc32)ccc1F ZINC000740006229 599714791 /nfs/dbraw/zinc/71/47/91/599714791.db2.gz TWBTYKVOMUDRJO-GFCCVEGCSA-N -1 0 333.319 3.708 20 0 EHADRM CCC[C@](C)(NC(=O)[C@H]1C[C@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000346004579 599717798 /nfs/dbraw/zinc/71/77/98/599717798.db2.gz DNNMLDBEIFFWGC-ZWOKBUDYSA-N -1 0 325.408 3.703 20 0 EHADRM CN(CCCC(=O)Nc1ccc(OCc2ccccc2)cc1)C(=O)[O-] ZINC000737429954 599723002 /nfs/dbraw/zinc/72/30/02/599723002.db2.gz RGDSIVVRXOGCFQ-UHFFFAOYSA-N -1 0 342.395 3.594 20 0 EHADRM O=C(/C=C/c1cccc(OC2CCCC2)c1)NC1(C(=O)[O-])CCCC1 ZINC000237961581 599732622 /nfs/dbraw/zinc/73/26/22/599732622.db2.gz QXFZCWIPTQFLEA-ZHACJKMWSA-N -1 0 343.423 3.535 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)Cc1cccc(Cl)c1 ZINC000737870123 599732988 /nfs/dbraw/zinc/73/29/88/599732988.db2.gz DHLVQQDHVVIHPZ-VURMDHGXSA-N -1 0 346.766 3.595 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OC(=O)Cc1cccc(Cl)c1 ZINC000739344993 599733878 /nfs/dbraw/zinc/73/38/78/599733878.db2.gz AFRKYGVKVFIEAB-UHFFFAOYSA-N -1 0 325.147 3.840 20 0 EHADRM COc1c(C)cc(CN(C)C(=O)Nc2cccc(C(=O)[O-])c2)cc1C ZINC000737839811 599736838 /nfs/dbraw/zinc/73/68/38/599736838.db2.gz OFUIYEDFCDOGSM-UHFFFAOYSA-N -1 0 342.395 3.674 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C(=O)CCSCC(=O)[O-])C1CC1 ZINC000736717155 599748440 /nfs/dbraw/zinc/74/84/40/599748440.db2.gz LKABBFPKBTWTFQ-LLVKDONJSA-N -1 0 341.860 3.600 20 0 EHADRM CN(CCCC(=O)NC1(c2ccc(Cl)cc2)CCCC1)C(=O)[O-] ZINC000737422694 599748611 /nfs/dbraw/zinc/74/86/11/599748611.db2.gz NXCUDRQMEFYFPE-UHFFFAOYSA-N -1 0 338.835 3.616 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)CCSCC(=O)[O-])cc2s1 ZINC000736524098 599751788 /nfs/dbraw/zinc/75/17/88/599751788.db2.gz IQCSOFFOAAQHFP-UHFFFAOYSA-N -1 0 338.454 3.566 20 0 EHADRM CN(CCC1CCCCC1)C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000737415060 599757580 /nfs/dbraw/zinc/75/75/80/599757580.db2.gz CSZAFHLBBYGDSC-UHFFFAOYSA-N -1 0 348.443 3.974 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)c1ccc(C(=O)[O-])cn1 ZINC000567104937 599765515 /nfs/dbraw/zinc/76/55/15/599765515.db2.gz ZFMPOBOXBZXQDP-UHFFFAOYSA-N -1 0 336.800 3.798 20 0 EHADRM Cc1cc2ccccc2n1CC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000237814028 599767885 /nfs/dbraw/zinc/76/78/85/599767885.db2.gz QWCJOHKGEWEPOK-UHFFFAOYSA-N -1 0 336.391 3.606 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1Cn1c(=S)snc1-c1ccccc1 ZINC000739640237 599768257 /nfs/dbraw/zinc/76/82/57/599768257.db2.gz XBPXROMPAQQNOG-CYBMUJFWSA-N -1 0 349.481 3.628 20 0 EHADRM Cc1ccccc1OCCCC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000237552069 599768988 /nfs/dbraw/zinc/76/89/88/599768988.db2.gz UYLLLUPBBHVBLA-UHFFFAOYSA-N -1 0 341.407 3.810 20 0 EHADRM Cc1ccc(-c2cnn(CN(CCC(=O)[O-])Cc3ccccc3)c2)cc1 ZINC000738487609 599777152 /nfs/dbraw/zinc/77/71/52/599777152.db2.gz CQODYHNNBIQKER-UHFFFAOYSA-N -1 0 349.434 3.793 20 0 EHADRM C[C@@H](OC(=O)Cc1c[nH]c2cc(Cl)ccc12)c1ccc(C(=O)[O-])o1 ZINC000736694048 599785722 /nfs/dbraw/zinc/78/57/22/599785722.db2.gz RXZMUYISDFFFKN-SECBINFHSA-N -1 0 347.754 3.959 20 0 EHADRM Cc1nc(CC(C)C)sc1C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC000738852568 599787469 /nfs/dbraw/zinc/78/74/69/599787469.db2.gz YUOQZUWHQJSMML-UHFFFAOYSA-N -1 0 333.409 3.705 20 0 EHADRM COc1cc(Cl)ccc1CNC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000737889497 599793501 /nfs/dbraw/zinc/79/35/01/599793501.db2.gz RGLBCIQIALUWPM-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM O=C([O-])c1cn(CC(=O)Nc2cc(F)ccc2Cl)c2ccccc12 ZINC000739360043 599798703 /nfs/dbraw/zinc/79/87/03/599798703.db2.gz TXUDMXSHDNWBKV-UHFFFAOYSA-N -1 0 346.745 3.771 20 0 EHADRM O=C([O-])CSCCC(=O)OC(c1ccccc1)c1ccccc1 ZINC000146910991 599799529 /nfs/dbraw/zinc/79/95/29/599799529.db2.gz JVDRFJWQDLQYDC-UHFFFAOYSA-N -1 0 330.405 3.527 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NCCCOc1ccccc1C ZINC000738536236 599805171 /nfs/dbraw/zinc/80/51/71/599805171.db2.gz ZXHIVKDWZYFXPI-UHFFFAOYSA-N -1 0 342.395 3.592 20 0 EHADRM CC(C)Oc1ccc(NC(=S)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000736495046 599805404 /nfs/dbraw/zinc/80/54/04/599805404.db2.gz UGIXYNRPYZORJG-UHFFFAOYSA-N -1 0 330.409 3.981 20 0 EHADRM O=C([O-])[C@H]1CCCCN1C(=O)CC1CCC(c2ccccc2)CC1 ZINC000238039959 599811788 /nfs/dbraw/zinc/81/17/88/599811788.db2.gz ZPLGYCORRHNZAV-VMWRSERWSA-N -1 0 329.440 3.816 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C[C@H]1CCCc2ccccc21 ZINC000237032813 599814128 /nfs/dbraw/zinc/81/41/28/599814128.db2.gz HVAPRKJOEXJLHR-GOSISDBHSA-N -1 0 337.419 3.853 20 0 EHADRM CC[C@@H](NC(=O)Nc1cccc(C(=O)[O-])c1C)c1nc(C)cs1 ZINC000736913424 599818070 /nfs/dbraw/zinc/81/80/70/599818070.db2.gz BVRWSOWUBKBXRJ-GFCCVEGCSA-N -1 0 333.413 3.731 20 0 EHADRM CCCc1c(C(=O)Nc2cccc(COCC)c2)[nH]c(C)c1C(=O)[O-] ZINC000737044743 599819221 /nfs/dbraw/zinc/81/92/21/599819221.db2.gz ZJORXPCAEMRLIL-UHFFFAOYSA-N -1 0 344.411 3.763 20 0 EHADRM CC1CCC(C)(NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)CC1 ZINC000736761354 599820117 /nfs/dbraw/zinc/82/01/17/599820117.db2.gz HPAOLCSIZRUMQE-UHFFFAOYSA-N -1 0 334.416 3.630 20 0 EHADRM CC(C)Sc1ccc(Cl)cc1NC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000263504482 599821992 /nfs/dbraw/zinc/82/19/92/599821992.db2.gz VALOIFLKAVLFGR-SNVBAGLBSA-N -1 0 342.848 3.779 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N[C@H]2C[C@H]2c2cccc(F)c2)cc1 ZINC000739758395 599825194 /nfs/dbraw/zinc/82/51/94/599825194.db2.gz ALQRYMOETYACHH-IRXDYDNUSA-N -1 0 342.370 3.521 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000392467704 599827367 /nfs/dbraw/zinc/82/73/67/599827367.db2.gz RRDVCWBBPZLHKK-UHFFFAOYSA-N -1 0 346.814 3.721 20 0 EHADRM COC(=O)c1ccc(-c2ccc(/C=C(\C(=O)[O-])c3ccncc3)o2)cc1 ZINC000737677753 599831188 /nfs/dbraw/zinc/83/11/88/599831188.db2.gz KXGSLYHKECQULP-ATVHPVEESA-N -1 0 349.342 3.753 20 0 EHADRM Cc1cccc2c1CC[C@@H]2NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000738746992 599834590 /nfs/dbraw/zinc/83/45/90/599834590.db2.gz BYSPLUOVKITXIQ-SFHVURJKSA-N -1 0 338.407 3.522 20 0 EHADRM Cc1oc(CN(C)C(=O)C[C@@H]2CCCc3ccccc32)cc1C(=O)[O-] ZINC000262453451 599841427 /nfs/dbraw/zinc/84/14/27/599841427.db2.gz HNRLWYNBFYIPEV-HNNXBMFYSA-N -1 0 341.407 3.755 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000738121979 599842767 /nfs/dbraw/zinc/84/27/67/599842767.db2.gz VHEREOMLAUGIPU-ZHACJKMWSA-N -1 0 329.327 3.575 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000738121978 599842951 /nfs/dbraw/zinc/84/29/51/599842951.db2.gz VHEREOMLAUGIPU-KHPPLWFESA-N -1 0 329.327 3.575 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)[C@H]1CCOc2ccccc21 ZINC000390551435 599843472 /nfs/dbraw/zinc/84/34/72/599843472.db2.gz KGOUXRCBOFZXFY-LBPRGKRZSA-N -1 0 331.755 3.543 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2cccc(C)c2)cc1 ZINC000237347775 599843945 /nfs/dbraw/zinc/84/39/45/599843945.db2.gz YQBUIWHRQHDUBL-QGZVFWFLSA-N -1 0 343.448 3.592 20 0 EHADRM CCCCc1nc(-c2cccc(OCc3cc(C(=O)[O-])co3)c2)no1 ZINC000737003765 599844889 /nfs/dbraw/zinc/84/48/89/599844889.db2.gz JLGCVSKREHZTKW-UHFFFAOYSA-N -1 0 342.351 3.949 20 0 EHADRM Cc1ccccc1-c1cccc([C@@H]2NC(=S)NC(C)=C2C(=O)[O-])c1 ZINC000736751734 599849736 /nfs/dbraw/zinc/84/97/36/599849736.db2.gz RZCJRANVRIJLDJ-KRWDZBQOSA-N -1 0 338.432 3.539 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)OCC(=O)c1cc2ccccc2o1 ZINC000740057668 599869652 /nfs/dbraw/zinc/86/96/52/599869652.db2.gz YRVKIUHPIOGSBR-UHFFFAOYSA-N -1 0 339.303 3.562 20 0 EHADRM Cc1sc(NC(=O)N2CCc3sccc3C2)c(C(=O)[O-])c1C ZINC000387729953 599879266 /nfs/dbraw/zinc/87/92/66/599879266.db2.gz UDIIBZUCLWZPQK-UHFFFAOYSA-N -1 0 336.438 3.715 20 0 EHADRM CCCO[C@@H]1CCCN(C(=O)Nc2cccc(NC(=O)[O-])c2)CC1 ZINC000737027734 599880009 /nfs/dbraw/zinc/88/00/09/599880009.db2.gz ILRQSZGGJGFVNN-OAHLLOKOSA-N -1 0 335.404 3.590 20 0 EHADRM CCC[C@H]1CCCC[C@H]1NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000736974591 599881397 /nfs/dbraw/zinc/88/13/97/599881397.db2.gz NQHPXCZNWJSQKW-DOTOQJQBSA-N -1 0 332.444 3.885 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)Oc1ccc(Cl)c(C(F)(F)F)c1 ZINC000736507781 599890436 /nfs/dbraw/zinc/89/04/36/599890436.db2.gz ZQXUQHYUQRTSIN-JTQLQIEISA-N -1 0 339.697 3.556 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)c1 ZINC000740028651 599898098 /nfs/dbraw/zinc/89/80/98/599898098.db2.gz GEGUJBBQSSBAFV-CQSZACIVSA-N -1 0 346.383 3.883 20 0 EHADRM CC(C)[C@H](CC(=O)Nc1nc(CC(=O)[O-])cs1)c1ccccc1 ZINC000236648368 599907998 /nfs/dbraw/zinc/90/79/98/599907998.db2.gz WAOMIYNGODPDHH-AWEZNQCLSA-N -1 0 332.425 3.539 20 0 EHADRM Cc1ccccc1OCCCN(C)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000738785442 599908001 /nfs/dbraw/zinc/90/80/01/599908001.db2.gz QBRPYBMONUZUNF-UHFFFAOYSA-N -1 0 342.395 3.626 20 0 EHADRM CCN(Cc1c(F)cccc1F)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000737101863 599912114 /nfs/dbraw/zinc/91/21/14/599912114.db2.gz KJBHUYIKIQRARX-UHFFFAOYSA-N -1 0 334.322 3.717 20 0 EHADRM Cc1cc(NC(=O)CCCOCc2ccccc2)ccc1C(=O)[O-] ZINC000261902742 599915262 /nfs/dbraw/zinc/91/52/62/599915262.db2.gz WJPWHVFXHDCPIC-UHFFFAOYSA-N -1 0 327.380 3.629 20 0 EHADRM Cc1ccc(-c2nc(C(=O)Nc3ccc(C(=O)[O-])c(C)c3)cs2)o1 ZINC000237755550 599915775 /nfs/dbraw/zinc/91/57/75/599915775.db2.gz ZGGZXJWZCXTYCV-UHFFFAOYSA-N -1 0 342.376 3.970 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N(C[C@H](C)C(=O)[O-])C2CC2)c1 ZINC000236732510 599916508 /nfs/dbraw/zinc/91/65/08/599916508.db2.gz RSFHRWYMEQHWPP-GJZGRUSLSA-N -1 0 347.455 3.597 20 0 EHADRM Cc1ccc(-c2csc(NC(=O)c3ccc(C(=O)[O-])cn3)n2)s1 ZINC000642210241 599918692 /nfs/dbraw/zinc/91/86/92/599918692.db2.gz VUMONBZLQLXTCR-UHFFFAOYSA-N -1 0 345.405 3.526 20 0 EHADRM CC(C)c1nc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)cs1 ZINC000139362726 599930224 /nfs/dbraw/zinc/93/02/24/599930224.db2.gz XHBKBZZLGQWJID-CYBMUJFWSA-N -1 0 332.425 3.602 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000139351256 599931146 /nfs/dbraw/zinc/93/11/46/599931146.db2.gz HUHBLTYXQMTHER-KSSFIOAISA-N -1 0 343.398 3.727 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)CCCc1cccs1)c1ccccc1 ZINC000193450884 599936042 /nfs/dbraw/zinc/93/60/42/599936042.db2.gz IEZOTNYFMQMMPB-MRXNPFEDSA-N -1 0 331.437 3.793 20 0 EHADRM O=C([O-])c1cccc(NC(=O)Cc2cc(Cl)ccc2Cl)c1O ZINC000739342304 599949275 /nfs/dbraw/zinc/94/92/75/599949275.db2.gz ULYZXDSPQCTUAE-UHFFFAOYSA-N -1 0 340.162 3.578 20 0 EHADRM COc1cccc(C2(C(=O)OCc3occc3C(=O)[O-])CCCC2)c1 ZINC000738094622 599952877 /nfs/dbraw/zinc/95/28/77/599952877.db2.gz ANOBAUUCEJVLLY-UHFFFAOYSA-N -1 0 344.363 3.542 20 0 EHADRM Cc1sc(NC(=O)c2cccc3c2ccn3C)c(C(=O)[O-])c1C ZINC000738995526 599959773 /nfs/dbraw/zinc/95/97/73/599959773.db2.gz DKOCUVLIFPDTCR-UHFFFAOYSA-N -1 0 328.393 3.807 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000736415116 599962855 /nfs/dbraw/zinc/96/28/55/599962855.db2.gz HSPKMSVGFJDZND-INIZCTEOSA-N -1 0 326.396 3.559 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000128673403 599994570 /nfs/dbraw/zinc/99/45/70/599994570.db2.gz ZGMWHHLTINFLMN-OLZOCXBDSA-N -1 0 331.318 3.714 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cc3c(s2)CCCCC3)c1 ZINC000325891629 599998693 /nfs/dbraw/zinc/99/86/93/599998693.db2.gz SKNHYXAUVJEVQP-UHFFFAOYSA-N -1 0 345.420 3.976 20 0 EHADRM CSc1ccc(C(=O)COC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000738195492 599999080 /nfs/dbraw/zinc/99/90/80/599999080.db2.gz JZLQSQHPTUMNJT-UHFFFAOYSA-N -1 0 345.376 3.538 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)C(=O)c2ccc(Cl)cc2)c1 ZINC000739460076 600007329 /nfs/dbraw/zinc/00/73/29/600007329.db2.gz TWHMGBQKWTYFDP-UHFFFAOYSA-N -1 0 338.146 3.513 20 0 EHADRM CC(C)(C(=O)NCCCCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000236704267 600009850 /nfs/dbraw/zinc/00/98/50/600009850.db2.gz UKXUTOFNWHLTFZ-UHFFFAOYSA-N -1 0 345.361 3.744 20 0 EHADRM CC(C)[C@@H](Sc1ccccc1)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000362404656 600010577 /nfs/dbraw/zinc/01/05/77/600010577.db2.gz VFKVQWCMVGTWNU-QGZVFWFLSA-N -1 0 335.469 3.517 20 0 EHADRM CC(C)c1ccc([C@H](C)NC(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000262881749 600012500 /nfs/dbraw/zinc/01/25/00/600012500.db2.gz BDJIHZKHIDAULF-IGEOTXOUSA-N -1 0 332.444 3.814 20 0 EHADRM Cc1cc(NC(=O)NCc2ccc(F)c(Cl)c2)ccc1C(=O)[O-] ZINC000321193493 600013041 /nfs/dbraw/zinc/01/30/41/600013041.db2.gz FMNFXERSXSADSA-UHFFFAOYSA-N -1 0 336.750 3.807 20 0 EHADRM CCC(C)(C)C1CCC(NC(=O)NC2CCC(C(=O)[O-])CC2)CC1 ZINC000736858635 600013152 /nfs/dbraw/zinc/01/31/52/600013152.db2.gz BEGAYPLTNFPTMR-UHFFFAOYSA-N -1 0 338.492 3.924 20 0 EHADRM Cc1cc(NC(=O)N2CCC(c3nccs3)CC2)ccc1C(=O)[O-] ZINC000738436497 600013595 /nfs/dbraw/zinc/01/35/95/600013595.db2.gz AAUZNCSONJTFHB-UHFFFAOYSA-N -1 0 345.424 3.561 20 0 EHADRM CC(C)(C)[C@@H]1CCc2sc(C(=O)N3CCC[C@@H](C(=O)[O-])C3)cc2C1 ZINC000236671925 600014396 /nfs/dbraw/zinc/01/43/96/600014396.db2.gz RMJRFFKGWZTODM-TZMCWYRMSA-N -1 0 349.496 3.836 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)N[C@@H]1CC[C@@H]3CCCC[C@H]3C1)C2 ZINC000740201788 600014626 /nfs/dbraw/zinc/01/46/26/600014626.db2.gz AXECLULICFBXCL-SUNYJGFJSA-N -1 0 342.439 3.769 20 0 EHADRM O=C([O-])/C(=C/c1ccc(OC(F)F)c(Cl)c1)c1ccncc1 ZINC000739491403 600016720 /nfs/dbraw/zinc/01/67/20/600016720.db2.gz ZMCMEXNOGKGIRZ-YRNVUSSQSA-N -1 0 325.698 3.962 20 0 EHADRM O=C([O-])c1cc(NC(=O)NCCCNc2ccccc2)ccc1Cl ZINC000738499999 600022327 /nfs/dbraw/zinc/02/23/27/600022327.db2.gz GEXIWBJLXMWCFO-UHFFFAOYSA-N -1 0 347.802 3.662 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)Nc2cccc(-n3cccc3)c2)cc1 ZINC000739430612 600022370 /nfs/dbraw/zinc/02/23/70/600022370.db2.gz SQSYOPGLCYDPBA-UHFFFAOYSA-N -1 0 349.390 3.540 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000737012329 600022938 /nfs/dbraw/zinc/02/29/38/600022938.db2.gz KYSNUPLLSFFYJP-UHFFFAOYSA-N -1 0 348.402 3.839 20 0 EHADRM CCc1cccc(NC(=O)NC[C@H](Cc2cccc(C)c2)C(=O)[O-])c1 ZINC000737269455 600025188 /nfs/dbraw/zinc/02/51/88/600025188.db2.gz FWJGDFLRPGUFIT-KRWDZBQOSA-N -1 0 340.423 3.622 20 0 EHADRM CCc1ccc(NC(=O)NC[C@@H](Cc2cccc(C)c2)C(=O)[O-])cc1 ZINC000737264502 600025440 /nfs/dbraw/zinc/02/54/40/600025440.db2.gz CSLFVGKJPFPFHI-QGZVFWFLSA-N -1 0 340.423 3.622 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N(Cc2ccc(F)cc2F)C2CC2)cc1 ZINC000738683640 600030856 /nfs/dbraw/zinc/03/08/56/600030856.db2.gz PTQFKILWPXIRIZ-UHFFFAOYSA-N -1 0 346.333 3.860 20 0 EHADRM CCCC[C@H](CC)CNC(=S)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736980645 600033863 /nfs/dbraw/zinc/03/38/63/600033863.db2.gz AEJQLFAXVRPXOK-ZDUSSCGKSA-N -1 0 334.485 3.791 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=S)Nc1ccc3c(c1)CCC3)C2 ZINC000740202474 600034353 /nfs/dbraw/zinc/03/43/53/600034353.db2.gz IJBWJAYKGKHSBD-UHFFFAOYSA-N -1 0 338.432 3.586 20 0 EHADRM COc1cccc([C@H]2C[C@H]2C(=O)Nc2sc(C)c(C)c2C(=O)[O-])c1 ZINC000738095483 600034933 /nfs/dbraw/zinc/03/49/33/600034933.db2.gz IKEOELFKVGGRRK-ZIAGYGMSSA-N -1 0 345.420 3.814 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3CCCC[C@@H]3C(=O)[O-])c(F)c2)cc1 ZINC000237711943 600036915 /nfs/dbraw/zinc/03/69/15/600036915.db2.gz OHCCSEGKNMOSQW-GOSISDBHSA-N -1 0 341.382 3.880 20 0 EHADRM C[C@H](c1ccccc1F)N(C)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237402301 600037502 /nfs/dbraw/zinc/03/75/02/600037502.db2.gz HRAYAXNMMHWSMP-CYBMUJFWSA-N -1 0 329.371 3.676 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)CCc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000738553410 600038340 /nfs/dbraw/zinc/03/83/40/600038340.db2.gz UQJAQXCAQAVMBM-OAHLLOKOSA-N -1 0 325.408 3.812 20 0 EHADRM COc1ccccc1C/C(C)=C/C(=O)Nc1sccc1C(=O)[O-] ZINC000738123256 600038921 /nfs/dbraw/zinc/03/89/21/600038921.db2.gz CAXBZCBVJLDGRJ-ZHACJKMWSA-N -1 0 331.393 3.582 20 0 EHADRM CC(C)(C(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000621555727 600041791 /nfs/dbraw/zinc/04/17/91/600041791.db2.gz WURSPCZIVCKLRT-UHFFFAOYSA-N -1 0 343.810 3.858 20 0 EHADRM CC(C)Oc1ccc(NC(=O)CCc2ccc(C(=O)[O-])cc2)c(F)c1 ZINC000236724963 600041809 /nfs/dbraw/zinc/04/18/09/600041809.db2.gz ZUMPSAOVYARJDD-UHFFFAOYSA-N -1 0 345.370 3.882 20 0 EHADRM CC(C)Oc1ccc(F)cc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000236652586 600043498 /nfs/dbraw/zinc/04/34/98/600043498.db2.gz QGTCTKWVRUPIJB-UHFFFAOYSA-N -1 0 345.370 3.882 20 0 EHADRM Cc1ccc(F)c2c1N(C(=O)CCc1ccc(C(=O)[O-])cc1)CCC2 ZINC000738606663 600045331 /nfs/dbraw/zinc/04/53/31/600045331.db2.gz JGKRHFFNSLTGNY-UHFFFAOYSA-N -1 0 341.382 3.744 20 0 EHADRM CCc1ccsc1C(=O)Nc1nc2nc(C)cc(C(=O)[O-])c2s1 ZINC000737275356 600049276 /nfs/dbraw/zinc/04/92/76/600049276.db2.gz SJVODZHEKQXKNS-UHFFFAOYSA-N -1 0 347.421 3.574 20 0 EHADRM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cccc(NC(=O)[O-])c2)s1 ZINC000738845539 600057098 /nfs/dbraw/zinc/05/70/98/600057098.db2.gz SVEBIIQAIPPQQP-SNVBAGLBSA-N -1 0 333.413 3.683 20 0 EHADRM O=C([O-])Nc1cc(NC(=S)Nc2ccc(Cl)nc2)ccc1F ZINC000740013152 600057276 /nfs/dbraw/zinc/05/72/76/600057276.db2.gz XYAUHQRKBAZXQE-UHFFFAOYSA-N -1 0 340.767 3.773 20 0 EHADRM Cc1ccc2c(C)cc(=O)n(Cc3ccc(F)cc3C(=O)[O-])c2c1 ZINC000738668133 600058909 /nfs/dbraw/zinc/05/89/09/600058909.db2.gz ZHXBQEXHWCQXCB-UHFFFAOYSA-N -1 0 325.339 3.504 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)NCCCCC(=O)[O-])c(F)c2)cc1 ZINC000237800448 600059325 /nfs/dbraw/zinc/05/93/25/600059325.db2.gz XQGBIPRCJNKQDD-UHFFFAOYSA-N -1 0 329.371 3.786 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000238058361 600060643 /nfs/dbraw/zinc/06/06/43/600060643.db2.gz FGAVTFBAGBCNKJ-LJQANCHMSA-N -1 0 337.419 3.551 20 0 EHADRM CC[C@H](CC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000236927096 600061979 /nfs/dbraw/zinc/06/19/79/600061979.db2.gz NYRYEROBGZGDKA-UBDQQSCGSA-N -1 0 329.440 3.815 20 0 EHADRM Cc1[nH]c2ccc(C(=O)N3Cc4ccc(C(=O)[O-])cc4C3)cc2c1C ZINC000326953844 600072895 /nfs/dbraw/zinc/07/28/95/600072895.db2.gz ZDLHMAJTKDKHRZ-UHFFFAOYSA-N -1 0 334.375 3.639 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736627569 600086986 /nfs/dbraw/zinc/08/69/86/600086986.db2.gz STAUDUAGMAVNCO-JTQLQIEISA-N -1 0 334.322 3.872 20 0 EHADRM Cc1ccc(C)c(OCCC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000738577361 600089853 /nfs/dbraw/zinc/08/98/53/600089853.db2.gz SHDAAMXRVMBGGN-UHFFFAOYSA-N -1 0 346.358 3.940 20 0 EHADRM CC(C)Oc1cccc(COC(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000736495442 600091096 /nfs/dbraw/zinc/09/10/96/600091096.db2.gz ZKDIFZRIRURMHT-UHFFFAOYSA-N -1 0 342.391 3.848 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)OCc2cccc3cccnc32)cc1 ZINC000739260531 600091934 /nfs/dbraw/zinc/09/19/34/600091934.db2.gz LCLADNSTPNGUQD-UHFFFAOYSA-N -1 0 335.359 3.609 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)N(Cc2ccco2)C2CCCC2)cc1 ZINC000739877187 600096958 /nfs/dbraw/zinc/09/69/58/600096958.db2.gz NHPBGVCQYUJPMC-UHFFFAOYSA-N -1 0 342.395 3.883 20 0 EHADRM O=C([O-])c1ccc(CN2CCO[C@@H](c3ccccc3Cl)C2)cc1 ZINC000263573270 600101976 /nfs/dbraw/zinc/10/19/76/600101976.db2.gz MDIPYGYNQIFSJF-QGZVFWFLSA-N -1 0 331.799 3.612 20 0 EHADRM O=C([O-])c1cccc(-c2nc(-c3cccc(Br)c3)no2)c1 ZINC000061811194 600106125 /nfs/dbraw/zinc/10/61/25/600106125.db2.gz SDMRZOHZONNURS-UHFFFAOYSA-N -1 0 345.152 3.864 20 0 EHADRM O=C([O-])COc1cccc(-c2nc(-c3cccc(Cl)c3)no2)c1 ZINC000739826157 600106848 /nfs/dbraw/zinc/10/68/48/600106848.db2.gz IPWPCCXOWKXZNF-UHFFFAOYSA-N -1 0 330.727 3.520 20 0 EHADRM COc1ccccc1C/C(C)=C/C(=O)OCc1cc(C(=O)[O-])oc1C ZINC000738125229 600109325 /nfs/dbraw/zinc/10/93/25/600109325.db2.gz YRYYEVJVFCQBMN-FMIVXFBMSA-N -1 0 344.363 3.527 20 0 EHADRM COc1ccc(Cl)cc1Cc1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000738013772 600110473 /nfs/dbraw/zinc/11/04/73/600110473.db2.gz LVMQSPZANIWKSF-UHFFFAOYSA-N -1 0 344.754 3.688 20 0 EHADRM O=C([O-])c1ccc(-c2noc(COc3ccc(Cl)cc3)n2)cc1 ZINC000200964735 600110894 /nfs/dbraw/zinc/11/08/94/600110894.db2.gz GHGPQENQYKXNBB-UHFFFAOYSA-N -1 0 330.727 3.667 20 0 EHADRM O=C([O-])c1ccc(-c2noc(Cc3ccc4c(c3)CCCC4)n2)cc1 ZINC000740101499 600113877 /nfs/dbraw/zinc/11/38/77/600113877.db2.gz OJRSUGLSIJRHTH-UHFFFAOYSA-N -1 0 334.375 3.904 20 0 EHADRM CC(C)Cc1nc(C(=O)OCc2ccc(F)cc2C(=O)[O-])cs1 ZINC000736452574 600116587 /nfs/dbraw/zinc/11/65/87/600116587.db2.gz ARHNNBUNNMTLDP-UHFFFAOYSA-N -1 0 337.372 3.536 20 0 EHADRM Cn1ccc2c1cccc2C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000739040191 600122351 /nfs/dbraw/zinc/12/23/51/600122351.db2.gz SOZWIOJARZBVMI-UHFFFAOYSA-N -1 0 327.315 3.660 20 0 EHADRM O=C([O-])Nc1cc(NCC(=O)Nc2cccc(Cl)c2)ccc1F ZINC000740011494 600127613 /nfs/dbraw/zinc/12/76/13/600127613.db2.gz DMUYUVDXCJCYHG-UHFFFAOYSA-N -1 0 337.738 3.620 20 0 EHADRM O=C([O-])Nc1cc(NCc2cn3cc(Cl)ccc3n2)ccc1F ZINC000740011513 600127688 /nfs/dbraw/zinc/12/76/88/600127688.db2.gz FFAYREXVNPPLOM-UHFFFAOYSA-N -1 0 334.738 3.829 20 0 EHADRM CC[C@](NCc1cc(-c2ccccc2)no1)(C(=O)[O-])c1ccccc1 ZINC000736919406 600131657 /nfs/dbraw/zinc/13/16/57/600131657.db2.gz YOOTYNYYFAWSHQ-HXUWFJFHSA-N -1 0 336.391 3.821 20 0 EHADRM Cc1ccc(OC(=O)COc2ccc(Cl)cc2C)c(C(=O)[O-])c1 ZINC000738641556 600133884 /nfs/dbraw/zinc/13/38/84/600133884.db2.gz VRGHVKBDUUOZIL-UHFFFAOYSA-N -1 0 334.755 3.639 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1C[C@@H]1c1ccc(N(C)C)cc1 ZINC000738525690 600140825 /nfs/dbraw/zinc/14/08/25/600140825.db2.gz NDQXOYLAAKLHLX-SJORKVTESA-N -1 0 338.407 3.501 20 0 EHADRM O=C([O-])c1ccc(/C=C2\N=C(c3c(F)cccc3Cl)OC2=O)cc1 ZINC000730465728 600142513 /nfs/dbraw/zinc/14/25/13/600142513.db2.gz CXCHDCMKRWCTQW-JYRVWZFOSA-N -1 0 345.713 3.522 20 0 EHADRM C[C@H]1C[C@H](CC(=O)OCC(=O)c2cc(C(=O)[O-])co2)CC(C)(C)C1 ZINC000736755677 600144208 /nfs/dbraw/zinc/14/42/08/600144208.db2.gz OQSYJVJPTRVBAV-NWDGAFQWSA-N -1 0 336.384 3.556 20 0 EHADRM Cc1cc(NC(=O)[C@H]2C[C@H]2c2ccc(N(C)C)cc2)ccc1C(=O)[O-] ZINC000738421977 600148074 /nfs/dbraw/zinc/14/80/74/600148074.db2.gz ISNQRRWNYKZQQN-ROUUACIJSA-N -1 0 338.407 3.501 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000738125605 600151023 /nfs/dbraw/zinc/15/10/23/600151023.db2.gz HIHHABHEHXEMST-CYBMUJFWSA-N -1 0 343.379 3.959 20 0 EHADRM CC[C@@H](CC(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1)c1ccccc1 ZINC000486390431 600154216 /nfs/dbraw/zinc/15/42/16/600154216.db2.gz ZXRVNEKSFPTSEG-QFBILLFUSA-N -1 0 339.435 3.863 20 0 EHADRM CC(C)(NC(=O)[O-])C(=O)Nc1ccc(OCC2CCCCC2)cc1 ZINC000736337120 600158958 /nfs/dbraw/zinc/15/89/58/600158958.db2.gz NLJRXCDEGBWKAP-UHFFFAOYSA-N -1 0 334.416 3.630 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)[C@H]2CCc3ccccc32)c1 ZINC000262447022 600160992 /nfs/dbraw/zinc/16/09/92/600160992.db2.gz VQRLXJOIKQGTJT-KRWDZBQOSA-N -1 0 341.432 3.673 20 0 EHADRM CCC[C@H](C(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1)c1ccccc1 ZINC000486369872 600162633 /nfs/dbraw/zinc/16/26/33/600162633.db2.gz HMUJUXSTEJIFQH-RBUKOAKNSA-N -1 0 339.435 3.863 20 0 EHADRM CC(C)[C@H](SCc1ccccc1)C(=O)OCc1ccoc1C(=O)[O-] ZINC000736389401 600164175 /nfs/dbraw/zinc/16/41/75/600164175.db2.gz BYNADYIERKASNU-INIZCTEOSA-N -1 0 348.420 3.979 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2(c3cccc(F)c3)CCC2)c(F)c1 ZINC000479564377 600167435 /nfs/dbraw/zinc/16/74/35/600167435.db2.gz FKYRAGJRYYNQJZ-UHFFFAOYSA-N -1 0 331.318 3.723 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CSc2ccc(Cl)cc2)c(F)c1 ZINC000316473896 600167985 /nfs/dbraw/zinc/16/79/85/600167985.db2.gz WBOBLBDBVQZYGG-UHFFFAOYSA-N -1 0 339.775 3.908 20 0 EHADRM CCN(c1ccc(C(=O)Nc2cc(C)[nH]c2C(=O)[O-])cc1)C(C)C ZINC000737107926 600168891 /nfs/dbraw/zinc/16/88/91/600168891.db2.gz DVZAPDVFTILHED-UHFFFAOYSA-N -1 0 329.400 3.508 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)Nc2ccc(C)cc2C)C(=O)[O-])cc1 ZINC000738559450 600176872 /nfs/dbraw/zinc/17/68/72/600176872.db2.gz IFCCPDGDXAREEI-MRXNPFEDSA-N -1 0 326.396 3.602 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)N2CCCc3sccc3C2)c1 ZINC000740140208 600177674 /nfs/dbraw/zinc/17/76/74/600177674.db2.gz FCJYNOXPLSCMAU-UHFFFAOYSA-N -1 0 334.372 3.566 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000736764479 600179492 /nfs/dbraw/zinc/17/94/92/600179492.db2.gz WZLVRPINHHTMHI-DOMZBBRYSA-N -1 0 342.370 3.934 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000736759078 600182209 /nfs/dbraw/zinc/18/22/09/600182209.db2.gz GZGFXLYFVGOBTN-YOEHRIQHSA-N -1 0 338.407 3.724 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(C)c1)C(C)C ZINC000738442159 600183936 /nfs/dbraw/zinc/18/39/36/600183936.db2.gz NMVDDAZDHFZFTC-MRXNPFEDSA-N -1 0 341.411 3.915 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)NCCCCCCC(=O)[O-] ZINC000736761676 600185844 /nfs/dbraw/zinc/18/58/44/600185844.db2.gz PAAGZXWNHBHANP-WBVHZDCISA-N -1 0 332.444 3.609 20 0 EHADRM Cc1ccc(NC(=S)N2C[C@@H](C(=O)[O-])c3ccccc32)c(C)c1 ZINC000738628925 600188953 /nfs/dbraw/zinc/18/89/53/600188953.db2.gz VQLXIMUAPKEWOZ-CQSZACIVSA-N -1 0 326.421 3.689 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000362420173 600191016 /nfs/dbraw/zinc/19/10/16/600191016.db2.gz QFHDVIYHPRHOHQ-YOEHRIQHSA-N -1 0 343.448 3.747 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000362420172 600191088 /nfs/dbraw/zinc/19/10/88/600191088.db2.gz QFHDVIYHPRHOHQ-WMLDXEAASA-N -1 0 343.448 3.747 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000347127828 600192900 /nfs/dbraw/zinc/19/29/00/600192900.db2.gz FSTFGVCOIQQJFH-ZDUSSCGKSA-N -1 0 329.421 3.681 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000247208387 600194116 /nfs/dbraw/zinc/19/41/16/600194116.db2.gz VOFCPXUVWCQRAL-WBAXXEDZSA-N -1 0 338.407 3.540 20 0 EHADRM Cc1cc2[nH]c(C(=O)N(C)[C@@H](C(=O)[O-])c3ccccc3)cc2c(C)c1 ZINC000738357624 600194446 /nfs/dbraw/zinc/19/44/46/600194446.db2.gz LGWBKMKLNPOGFG-GOSISDBHSA-N -1 0 336.391 3.683 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000347344738 600195011 /nfs/dbraw/zinc/19/50/11/600195011.db2.gz JVJVJYFPDVDMAX-OAHLLOKOSA-N -1 0 343.448 3.528 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)cc1 ZINC000362517206 600195497 /nfs/dbraw/zinc/19/54/97/600195497.db2.gz XHNOOCZSTYNROC-UHFFFAOYSA-N -1 0 341.363 3.627 20 0 EHADRM COc1ccc(NC(=O)/C=C(\C)c2cccc(F)c2)c(C(=O)[O-])c1 ZINC000738027975 600195974 /nfs/dbraw/zinc/19/59/74/600195974.db2.gz KQJQHESZFSKMQN-DHZHZOJOSA-N -1 0 329.327 3.575 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2cc3cc(F)ccc3[nH]2)c1 ZINC000740072463 600202490 /nfs/dbraw/zinc/20/24/90/600202490.db2.gz PHGIMEGBHWXBDH-UHFFFAOYSA-N -1 0 332.718 3.911 20 0 EHADRM Cc1ccc([C@@H]2NC(=O)N(Cc3cccs3)C(C)=C2C(=O)[O-])s1 ZINC000736752192 600205945 /nfs/dbraw/zinc/20/59/45/600205945.db2.gz VEJIZJWYTRGUCF-AWEZNQCLSA-N -1 0 348.449 3.743 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000237510516 600206026 /nfs/dbraw/zinc/20/60/26/600206026.db2.gz VRTIDSYSANGNLH-ZFWWWQNUSA-N -1 0 331.437 3.882 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000237290478 600206761 /nfs/dbraw/zinc/20/67/61/600206761.db2.gz URVQGITUYGRHFC-HNNXBMFYSA-N -1 0 325.408 3.845 20 0 EHADRM C[C@H](CC(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21)c1cccc(F)c1 ZINC000262333632 600207121 /nfs/dbraw/zinc/20/71/21/600207121.db2.gz FHPNARJHRHZZQC-IRWJRLHMSA-N -1 0 333.403 3.564 20 0 EHADRM COc1ccc(NC(=O)C[C@H](C)c2ccccc2C)c(C(=O)[O-])c1 ZINC000738027858 600207472 /nfs/dbraw/zinc/20/74/72/600207472.db2.gz IARVNQYNWWFSBN-ZDUSSCGKSA-N -1 0 327.380 3.834 20 0 EHADRM Cc1cc(C)cc(NC(=O)CNc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000738363693 600208091 /nfs/dbraw/zinc/20/80/91/600208091.db2.gz IOBLWUFVGUMFCO-UHFFFAOYSA-N -1 0 332.787 3.706 20 0 EHADRM CN(Cc1csc(-c2ccoc2)n1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737497046 600210631 /nfs/dbraw/zinc/21/06/31/600210631.db2.gz RHCZNELKYNBFCV-HNNXBMFYSA-N -1 0 328.393 3.661 20 0 EHADRM Cc1ccc([C@@H]2CSCCN2C(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000237904475 600211015 /nfs/dbraw/zinc/21/10/15/600211015.db2.gz LRZABPOTUTXYCV-KRWDZBQOSA-N -1 0 341.432 3.624 20 0 EHADRM Cc1ccccc1CCC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000738766670 600213327 /nfs/dbraw/zinc/21/33/27/600213327.db2.gz FOURAMFKOXEYTP-UHFFFAOYSA-N -1 0 349.333 3.866 20 0 EHADRM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000736903448 600213912 /nfs/dbraw/zinc/21/39/12/600213912.db2.gz JPONNPSFWUMTTI-CQSZACIVSA-N -1 0 348.830 3.734 20 0 EHADRM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc(C(=O)[O-])s1 ZINC000736904032 600213930 /nfs/dbraw/zinc/21/39/30/600213930.db2.gz OFQJDUCTSMWKQW-GFCCVEGCSA-N -1 0 337.828 3.851 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N3CCC[C@H]3c3ccco3)c12 ZINC000649389164 600214485 /nfs/dbraw/zinc/21/44/85/600214485.db2.gz RLFMOWDXBMMNAF-NSHDSACASA-N -1 0 343.408 3.941 20 0 EHADRM O=C([O-])c1ccoc1CN1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000518546319 600218068 /nfs/dbraw/zinc/21/80/68/600218068.db2.gz FCXAENAUKQZDBC-AWEZNQCLSA-N -1 0 337.828 3.921 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)/C=C\c2ccc(Cl)s2)c2ccccc21 ZINC000255916660 600218172 /nfs/dbraw/zinc/21/81/72/600218172.db2.gz BKMUWFNHQXTHNO-XYLWRLHESA-N -1 0 333.796 3.630 20 0 EHADRM CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)NCCCCC(=O)[O-] ZINC000736389385 600235649 /nfs/dbraw/zinc/23/56/49/600235649.db2.gz BOEPSDFPTCANNN-INIZCTEOSA-N -1 0 340.851 3.933 20 0 EHADRM CC(C)(C)[C@H]1CCCN(C(=O)Nc2cccc(OCC(=O)[O-])c2)CC1 ZINC000392715290 600240650 /nfs/dbraw/zinc/24/06/50/600240650.db2.gz ROVAOTVGBWQCCQ-AWEZNQCLSA-N -1 0 348.443 3.830 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@H](C)CSc2ccccc2)cc1C(=O)[O-] ZINC000362749265 600241046 /nfs/dbraw/zinc/24/10/46/600241046.db2.gz WNVOPDYLLCUJGS-GFCCVEGCSA-N -1 0 347.436 3.673 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)N2CCC[C@@H]2c2ccco2)cc1 ZINC000737333567 600241109 /nfs/dbraw/zinc/24/11/09/600241109.db2.gz XWSZOZXPRNUEAW-CQSZACIVSA-N -1 0 329.356 3.763 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)NC2(c3nccs3)CCCC2)c1 ZINC000740043258 600241574 /nfs/dbraw/zinc/24/15/74/600241574.db2.gz RTXPFSRRPFTKSA-UHFFFAOYSA-N -1 0 346.412 3.824 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1cc2sccc2s1 ZINC000738088274 600248740 /nfs/dbraw/zinc/24/87/40/600248740.db2.gz GXSKXLSBAVGRBL-UHFFFAOYSA-N -1 0 334.374 3.889 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)CCc2cc(Cl)cs2)c1 ZINC000737934410 600252110 /nfs/dbraw/zinc/25/21/10/600252110.db2.gz APWBRKIAGWXMBX-UHFFFAOYSA-N -1 0 339.800 3.680 20 0 EHADRM Cc1cc(F)cc2[nH]c(C(=O)N[C@H](CC(=O)[O-])c3ccccc3)cc21 ZINC000237665081 600254450 /nfs/dbraw/zinc/25/44/50/600254450.db2.gz ASSSZTVOEXZWNZ-OAHLLOKOSA-N -1 0 340.354 3.561 20 0 EHADRM Cc1cc(NC(=O)c2cc3ccc(C(C)C)cc3[nH]2)c(C(=O)[O-])[nH]1 ZINC000738449082 600255143 /nfs/dbraw/zinc/25/51/43/600255143.db2.gz TUNGHCBQBAPPBB-UHFFFAOYSA-N -1 0 325.368 3.878 20 0 EHADRM Cc1cc(NC(=O)c2ccc(C3SCCS3)cc2)c(C(=O)[O-])[nH]1 ZINC000738448434 600257609 /nfs/dbraw/zinc/25/76/09/600257609.db2.gz HIBWGYKBYNPXQN-UHFFFAOYSA-N -1 0 348.449 3.752 20 0 EHADRM CC(C)(C)/C=C/C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000736251001 600257892 /nfs/dbraw/zinc/25/78/92/600257892.db2.gz PDAMJFIAXQSNTC-FMQWLBJXSA-N -1 0 339.435 3.802 20 0 EHADRM CCO[C@H](C)c1noc(CNc2cc3ccccc3cc2C(=O)[O-])n1 ZINC000737156925 600261072 /nfs/dbraw/zinc/26/10/72/600261072.db2.gz IKEYWNDSANXSQO-LLVKDONJSA-N -1 0 341.367 3.631 20 0 EHADRM O=C([O-])c1sc(NCCc2c[nH]c3ccc(F)cc23)nc1Cl ZINC000740279072 600261412 /nfs/dbraw/zinc/26/14/12/600261412.db2.gz NIXMRDAMCGNKHK-UHFFFAOYSA-N -1 0 339.779 3.770 20 0 EHADRM CN(CC(F)(F)C(F)F)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000737408045 600261960 /nfs/dbraw/zinc/26/19/60/600261960.db2.gz JJAYLMNFPBXVDW-SECBINFHSA-N -1 0 348.123 3.951 20 0 EHADRM CC(C)[C@@H](Sc1ccccc1)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000531999959 600267365 /nfs/dbraw/zinc/26/73/65/600267365.db2.gz KCUADLUTAHXDJD-HZPDHXFCSA-N -1 0 347.480 3.517 20 0 EHADRM CC(C)[C@@H](NC(=O)[O-])C(=O)OCCCc1cccc2ccccc21 ZINC000736381231 600269864 /nfs/dbraw/zinc/26/98/64/600269864.db2.gz VAOQQBRFYSGQEW-QGZVFWFLSA-N -1 0 329.396 3.608 20 0 EHADRM O=C([O-])[C@@H](OC(=O)CCc1cc(Cl)cs1)c1ccc(F)cc1 ZINC000739252902 600272521 /nfs/dbraw/zinc/27/25/21/600272521.db2.gz XVTQSKKUKJVAGV-AWEZNQCLSA-N -1 0 342.775 3.842 20 0 EHADRM CC(C)c1ccc(SCC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000262462898 600275374 /nfs/dbraw/zinc/27/53/74/600275374.db2.gz RAYILEJPGBXNIS-MRXNPFEDSA-N -1 0 347.480 3.615 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2cc3ccc(Cl)cc3[nH]2)c2ccccc21 ZINC000192942488 600277258 /nfs/dbraw/zinc/27/72/58/600277258.db2.gz PRBCLADXKTXAJU-CYBMUJFWSA-N -1 0 340.766 3.650 20 0 EHADRM Cc1cccc(NC(=S)Nc2ccc(CNC(=O)[O-])cc2)c1C ZINC000738736908 600279718 /nfs/dbraw/zinc/27/97/18/600279718.db2.gz ZMZCUZOEMSFXMQ-UHFFFAOYSA-N -1 0 329.425 3.880 20 0 EHADRM O=C([O-])NCc1ccc(NC(=S)Nc2ccc3c(c2)CCC3)cc1 ZINC000739990844 600279744 /nfs/dbraw/zinc/27/97/44/600279744.db2.gz CVIRINGKWCKYOL-UHFFFAOYSA-N -1 0 341.436 3.752 20 0 EHADRM Cc1cc([C@H]2CCCN2C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)on1 ZINC000738379632 600283897 /nfs/dbraw/zinc/28/38/97/600283897.db2.gz OLESRGYFNNJKDW-CYBMUJFWSA-N -1 0 349.774 3.704 20 0 EHADRM CN(Cc1ccc(NC(=O)C2C3CC4CC(C3)CC2C4)cc1)C(=O)[O-] ZINC000737479166 600287640 /nfs/dbraw/zinc/28/76/40/600287640.db2.gz USZRDUVSVQUISU-UHFFFAOYSA-N -1 0 342.439 3.807 20 0 EHADRM CCC[C@H](C(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccccc1 ZINC000736951891 600290650 /nfs/dbraw/zinc/29/06/50/600290650.db2.gz JHWAWFYQFDNDEL-KRWDZBQOSA-N -1 0 326.396 3.977 20 0 EHADRM CCc1ccc(CCC(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000737260241 600293856 /nfs/dbraw/zinc/29/38/56/600293856.db2.gz GWQLOPAYUXOMLE-UHFFFAOYSA-N -1 0 326.396 3.588 20 0 EHADRM O=C([O-])c1occc1CN[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000740281638 600318414 /nfs/dbraw/zinc/31/84/14/600318414.db2.gz NTIWKBUEGSPAAF-QGZVFWFLSA-N -1 0 325.339 3.996 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cc2c(s1)CCC2)c1cccc(Cl)c1 ZINC000740288504 600320912 /nfs/dbraw/zinc/32/09/12/600320912.db2.gz BETVEVKUCNJEQG-CQSZACIVSA-N -1 0 336.796 3.873 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000740298980 600321854 /nfs/dbraw/zinc/32/18/54/600321854.db2.gz MBMZZPJGCARHPB-CYBMUJFWSA-N -1 0 325.147 3.976 20 0 EHADRM C[C@H](Nc1ccc(CNC(=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000736673527 600326792 /nfs/dbraw/zinc/32/67/92/600326792.db2.gz WPAYJXNROARPOV-NSHDSACASA-N -1 0 347.802 3.547 20 0 EHADRM Cn1c(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc2ccccc21 ZINC000739012597 600327847 /nfs/dbraw/zinc/32/78/47/600327847.db2.gz JQSLNXORXRZILL-MRXNPFEDSA-N -1 0 343.766 3.814 20 0 EHADRM O=C([O-])CC[C@@H](NCc1occc1Br)c1ccccc1 ZINC000739662545 600329559 /nfs/dbraw/zinc/32/95/59/600329559.db2.gz PUHALXIZSFHVIE-CYBMUJFWSA-N -1 0 338.201 3.738 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(C(=O)Nc1ccc(Cl)cc1Cl)CC2 ZINC000405446798 600333229 /nfs/dbraw/zinc/33/32/29/600333229.db2.gz SWXQOGCVUKRKMX-JTQLQIEISA-N -1 0 343.210 3.712 20 0 EHADRM CCCOc1cc(C)ccc1NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000737028057 600336139 /nfs/dbraw/zinc/33/61/39/600336139.db2.gz PFDYMUWZRDFUOX-CQSZACIVSA-N -1 0 346.427 3.502 20 0 EHADRM CC[C@H](CC(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccc(C)cc1 ZINC000236939499 600374733 /nfs/dbraw/zinc/37/47/33/600374733.db2.gz KJWHDOJLZNVCIH-OAHLLOKOSA-N -1 0 341.407 3.981 20 0 EHADRM CC[C@H](CC(=O)N(CC(=O)[O-])Cc1ccccc1)c1ccc(C)cc1 ZINC000736893354 600376084 /nfs/dbraw/zinc/37/60/84/600376084.db2.gz YKSQCJADMMULEI-GOSISDBHSA-N -1 0 339.435 3.992 20 0 EHADRM CC[C@H](CC(=O)N[C@H](C(=O)[O-])c1ccccc1)c1ccc(C)cc1 ZINC000236935444 600376327 /nfs/dbraw/zinc/37/63/27/600376327.db2.gz CTIHCSVPGXUKLP-BEFAXECRSA-N -1 0 325.408 3.821 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)Oc1ccc(Cl)cc1C(=O)[O-] ZINC000736628931 600376374 /nfs/dbraw/zinc/37/63/74/600376374.db2.gz HFJNBCUWUYGVBJ-JTQLQIEISA-N -1 0 336.746 3.962 20 0 EHADRM CC(C)(C)CCC(=O)N[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000262441423 600376650 /nfs/dbraw/zinc/37/66/50/600376650.db2.gz PUUPRGXIEILZMQ-ZDUSSCGKSA-N -1 0 342.233 3.517 20 0 EHADRM CC(C)(C)CCC(=O)Oc1ccc(Br)cc1C(=O)[O-] ZINC000736250670 600376888 /nfs/dbraw/zinc/37/68/88/600376888.db2.gz KVWFKUKCCISCQA-UHFFFAOYSA-N -1 0 329.190 3.879 20 0 EHADRM O=C([O-])[C@H](Sc1n[nH]c(C=Cc2ccccc2)n1)c1ccccc1 ZINC000739511249 600379130 /nfs/dbraw/zinc/37/91/30/600379130.db2.gz FYJURBUKMUQXFJ-LPQFERQCSA-N -1 0 337.404 3.893 20 0 EHADRM CSCc1nnc(S[C@H](C(=O)[O-])c2cccc(Cl)c2)o1 ZINC000738195469 600379272 /nfs/dbraw/zinc/37/92/72/600379272.db2.gz JLIFOSNQZHPZFE-JTQLQIEISA-N -1 0 330.818 3.504 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@H](C)Oc1ccc(C)cc1)c1ccccc1 ZINC000736850388 600379309 /nfs/dbraw/zinc/37/93/09/600379309.db2.gz WKYVDWGRSNXLFR-MAUKXSAKSA-N -1 0 341.407 3.659 20 0 EHADRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)/C=C/C1CCCCC1 ZINC000739794120 600382115 /nfs/dbraw/zinc/38/21/15/600382115.db2.gz SQFNERADQXSGQZ-DHZHZOJOSA-N -1 0 335.831 3.890 20 0 EHADRM O=C([O-])c1ccc(NC(=O)/C=C\c2ccnc3ccccc23)c(F)c1 ZINC000739216111 600383302 /nfs/dbraw/zinc/38/33/02/600383302.db2.gz OFQZKJOPPQKJOQ-VURMDHGXSA-N -1 0 336.322 3.724 20 0 EHADRM CC(C)(CC(=O)NCCc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000736309162 600383727 /nfs/dbraw/zinc/38/37/27/600383727.db2.gz AMTWUDGRIIBBNN-UHFFFAOYSA-N -1 0 340.423 3.803 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1cccc(OCc2cccs2)c1 ZINC000236581491 600384518 /nfs/dbraw/zinc/38/45/18/600384518.db2.gz GSJRPICZLNESMN-UHFFFAOYSA-N -1 0 347.436 3.700 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)COc1ccccc1Cl)c1ccccc1 ZINC000736853016 600385149 /nfs/dbraw/zinc/38/51/49/600385149.db2.gz QKXBZCDLUKPFFX-OAHLLOKOSA-N -1 0 347.798 3.615 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@H](C)Cc1cccc(F)c1)c1ccccc1 ZINC000736845350 600385266 /nfs/dbraw/zinc/38/52/66/600385266.db2.gz BCJGQJLBUPEGNV-RDTXWAMCSA-N -1 0 343.398 3.901 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)CCCc1cccs1)c1ccccc1 ZINC000736846248 600389267 /nfs/dbraw/zinc/38/92/67/600389267.db2.gz FASYOKYIKCDAFI-INIZCTEOSA-N -1 0 331.437 3.967 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1c(F)cccc1F ZINC000736650097 600389730 /nfs/dbraw/zinc/38/97/30/600389730.db2.gz ZFGMDZLHPYKDPP-QMMMGPOBSA-N -1 0 338.285 3.685 20 0 EHADRM C[C@H]1c2c(F)cccc2CCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000630288238 600389775 /nfs/dbraw/zinc/38/97/75/600389775.db2.gz AZWRUKCTANTXRY-ZDUSSCGKSA-N -1 0 341.382 3.602 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)/C=C\c2ccnc3ccccc23)cc1 ZINC000739987085 600389931 /nfs/dbraw/zinc/38/99/31/600389931.db2.gz ULFCLDXCPXGYNQ-YFHOEESVSA-N -1 0 347.374 3.654 20 0 EHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)/C=C\c2ccco2)cc1 ZINC000736296429 600391761 /nfs/dbraw/zinc/39/17/61/600391761.db2.gz CVNUHSZRGHFZRG-QXPKXGMISA-N -1 0 341.407 3.923 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1ccc(OC2CCCCC2)cc1)C(=O)[O-] ZINC000736872995 600393962 /nfs/dbraw/zinc/39/39/62/600393962.db2.gz NPIHPMSFWILNLD-GUYCJALGSA-N -1 0 333.428 3.627 20 0 EHADRM CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000737106494 600396102 /nfs/dbraw/zinc/39/61/02/600396102.db2.gz PDNYXKARTCRNBO-UHFFFAOYSA-N -1 0 346.358 3.587 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000236914501 600398018 /nfs/dbraw/zinc/39/80/18/600398018.db2.gz YGYDLUUIQXXJFY-NSHDSACASA-N -1 0 331.334 3.522 20 0 EHADRM COc1ccc([C@H](C)N(C)C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000737950023 600398729 /nfs/dbraw/zinc/39/87/29/600398729.db2.gz QOQKVRWGQMMRIJ-NSHDSACASA-N -1 0 346.358 3.757 20 0 EHADRM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC(C)(C)CCC(=O)[O-] ZINC000237529164 600399283 /nfs/dbraw/zinc/39/92/83/600399283.db2.gz ZBUPONOFMAXPEO-NSHDSACASA-N -1 0 345.361 3.644 20 0 EHADRM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000736823244 600401174 /nfs/dbraw/zinc/40/11/74/600401174.db2.gz BPNHIAIGONUXBI-MGPLVRAMSA-N -1 0 328.343 3.579 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)c1c(F)cccc1F ZINC000736648741 600402137 /nfs/dbraw/zinc/40/21/37/600402137.db2.gz JXRIUEFZOIZPMW-QMMMGPOBSA-N -1 0 338.285 3.685 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)Nc2ccc(F)cc2C(=O)[O-])s1 ZINC000738465727 600406428 /nfs/dbraw/zinc/40/64/28/600406428.db2.gz ZHCAJPITIDZRBA-UHFFFAOYSA-N -1 0 345.298 3.748 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCCCCCC2)c(OC(F)F)c1 ZINC000740148732 600409260 /nfs/dbraw/zinc/40/92/60/600409260.db2.gz ZLAYYFAQCALVQN-UHFFFAOYSA-N -1 0 342.342 3.784 20 0 EHADRM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2cccc(C(=O)[O-])n2)cc1 ZINC000439797091 600415305 /nfs/dbraw/zinc/41/53/05/600415305.db2.gz ZYKOEDURUIBSNX-KSSFIOAISA-N -1 0 338.407 3.702 20 0 EHADRM O=C([O-])[C@H](Nc1cccc(Cn2cccn2)c1)c1cccc(Cl)c1 ZINC000739511303 600422098 /nfs/dbraw/zinc/42/20/98/600422098.db2.gz HEERYWOVPMUKHW-QGZVFWFLSA-N -1 0 341.798 3.823 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)c1 ZINC000740242903 600429324 /nfs/dbraw/zinc/42/93/24/600429324.db2.gz WCULOWTVYAKMDD-IAGOWNOFSA-N -1 0 332.359 3.675 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)c2ccccc2Cc2ccccc2)c1 ZINC000740244805 600431441 /nfs/dbraw/zinc/43/14/41/600431441.db2.gz KTWHFWMLYKRTKP-UHFFFAOYSA-N -1 0 332.359 3.623 20 0 EHADRM Cc1ccnc(-c2ccc(N[C@H](C(=O)[O-])c3ccc(F)cc3)cc2)n1 ZINC000738791904 600439109 /nfs/dbraw/zinc/43/91/09/600439109.db2.gz HEUXFKPSJOJYCI-KRWDZBQOSA-N -1 0 337.354 3.829 20 0 EHADRM O=C([O-])[C@@H](Nc1ccn(Cc2ccccc2)n1)c1cccc(Cl)c1 ZINC000739511986 600439861 /nfs/dbraw/zinc/43/98/61/600439861.db2.gz LDKCGMQZEBLGIK-KRWDZBQOSA-N -1 0 341.798 3.823 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N2CCS[C@H](c3ccccc3)C2)c1 ZINC000740227925 600440973 /nfs/dbraw/zinc/44/09/73/600440973.db2.gz FODAWWJIPGONKA-INIZCTEOSA-N -1 0 342.420 3.707 20 0 EHADRM Cc1ccc(C)c(OCCC(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000738576810 600445055 /nfs/dbraw/zinc/44/50/55/600445055.db2.gz AMOVGZFEVKWKDN-GOSISDBHSA-N -1 0 346.354 3.581 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](NC(=O)CCCN(C)C(=O)[O-])C(C)C ZINC000738289783 600450314 /nfs/dbraw/zinc/45/03/14/600450314.db2.gz UVRHAGBCIGWFOX-KRWDZBQOSA-N -1 0 346.427 3.945 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N(C)[C@H]1CCc2ccccc2C1 ZINC000738527822 600451400 /nfs/dbraw/zinc/45/14/00/600451400.db2.gz FEHLYYUUQFDKDR-KRWDZBQOSA-N -1 0 338.407 3.714 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1c[nH]c2cc(Cl)ccc21)c1ccc(F)cc1 ZINC000740288131 600454205 /nfs/dbraw/zinc/45/42/05/600454205.db2.gz AOIAIOUAMLBWQU-OAHLLOKOSA-N -1 0 347.729 3.943 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)Nc2nccs2)cc1 ZINC000736297144 600454980 /nfs/dbraw/zinc/45/49/80/600454980.db2.gz PCPNJXONUYYKFF-ZDUSSCGKSA-N -1 0 347.440 3.778 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CCCCC[C@H]1C ZINC000736487637 600455164 /nfs/dbraw/zinc/45/51/64/600455164.db2.gz NDOWLQOWDHACND-CYBMUJFWSA-N -1 0 334.416 3.968 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CCCCC[C@@H]1C ZINC000736487638 600455301 /nfs/dbraw/zinc/45/53/01/600455301.db2.gz NDOWLQOWDHACND-ZDUSSCGKSA-N -1 0 334.416 3.968 20 0 EHADRM Cc1cc(NC(=O)N(C)[C@H]2CCc3ccccc3C2)ccc1C(=O)[O-] ZINC000738438524 600456949 /nfs/dbraw/zinc/45/69/49/600456949.db2.gz XJERAHRWVOYYJX-KRWDZBQOSA-N -1 0 338.407 3.714 20 0 EHADRM C[C@H](OC(=O)/C=C\c1ccnc2ccccc12)c1ccc(C(=O)[O-])o1 ZINC000736685417 600457214 /nfs/dbraw/zinc/45/72/14/600457214.db2.gz PXLPKZSCFSCVOR-PWWFUAJNSA-N -1 0 337.331 3.844 20 0 EHADRM O=C(/C=C\c1ccnc2ccccc12)O[C@H](C(=O)[O-])c1ccccc1 ZINC000739214546 600458707 /nfs/dbraw/zinc/45/87/07/600458707.db2.gz FKUXNZMQDIOOIY-GDWUOILNSA-N -1 0 333.343 3.617 20 0 EHADRM C[C@H]1CCC[C@H](CCNC(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000736774093 600460127 /nfs/dbraw/zinc/46/01/27/600460127.db2.gz GFKTTYTZXHUCFC-GOEBONIOSA-N -1 0 347.459 3.835 20 0 EHADRM O=C([O-])CC1CCN(C(=O)NC(C2CCCC2)C2CCCC2)CC1 ZINC000738563217 600466554 /nfs/dbraw/zinc/46/65/54/600466554.db2.gz MZZVOKSOBDOHPY-UHFFFAOYSA-N -1 0 336.476 3.632 20 0 EHADRM Cc1c2ccccc2oc1[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])C1)C(C)C ZINC000263295666 600470264 /nfs/dbraw/zinc/47/02/64/600470264.db2.gz WAVIRDAAXODYBL-CZUORRHYSA-N -1 0 344.411 3.554 20 0 EHADRM Cc1ccc(NC(=O)NCCc2ccc(NC(=O)[O-])cc2)cc1F ZINC000738627508 600472492 /nfs/dbraw/zinc/47/24/92/600472492.db2.gz NOIWMHCBCCMNOW-UHFFFAOYSA-N -1 0 331.347 3.588 20 0 EHADRM C[C@H]1CCCC[C@H]1NC(=S)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000736782932 600473684 /nfs/dbraw/zinc/47/36/84/600473684.db2.gz DXTBQRDUNHIBKF-TVQRCGJNSA-N -1 0 326.849 3.903 20 0 EHADRM Cc1ccc([C@H](C)CNC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000738553710 600475936 /nfs/dbraw/zinc/47/59/36/600475936.db2.gz YSOXAYVDMHDXHP-LLVKDONJSA-N -1 0 348.349 3.897 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)oc2ccccc23)C1 ZINC000263485645 600476292 /nfs/dbraw/zinc/47/62/92/600476292.db2.gz MNTKOUCVLCDHOY-GFCCVEGCSA-N -1 0 338.363 3.915 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2Cc3ccccc3S2)cc1Cl ZINC000314601586 600476916 /nfs/dbraw/zinc/47/69/16/600476916.db2.gz CXOMKJOPZBVPCJ-AWEZNQCLSA-N -1 0 333.796 3.694 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000736904636 600477265 /nfs/dbraw/zinc/47/72/65/600477265.db2.gz VSFGVNPSJCNYHB-LSDHHAIUSA-N -1 0 331.437 3.649 20 0 EHADRM CSc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])o1 ZINC000738198241 600478476 /nfs/dbraw/zinc/47/84/76/600478476.db2.gz ATLWXGUCEMZLCV-UHFFFAOYSA-N -1 0 345.298 3.971 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000736904391 600478949 /nfs/dbraw/zinc/47/89/49/600478949.db2.gz UHNBHTHOQWKMSV-QAPCUYQASA-N -1 0 343.398 3.727 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc3cccnc32)cc1Cl ZINC000321208195 600480219 /nfs/dbraw/zinc/48/02/19/600480219.db2.gz YWHCMZXZLXJPNP-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM Cc1ccc(F)cc1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000237562248 600480400 /nfs/dbraw/zinc/48/04/00/600480400.db2.gz JAAAEOCOKHJUHW-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM O=C([O-])[C@H](Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)c1ccccc1 ZINC000738523329 600502404 /nfs/dbraw/zinc/50/24/04/600502404.db2.gz AWZNQLUUWAHZCO-GBESFXJTSA-N -1 0 341.407 3.607 20 0 EHADRM Cc1ccc2oc(NC[C@H](Cc3cccc(F)c3)C(=O)[O-])nc2c1 ZINC000738681135 600503362 /nfs/dbraw/zinc/50/33/62/600503362.db2.gz UESWPLHDFVFLKE-ZDUSSCGKSA-N -1 0 328.343 3.631 20 0 EHADRM Cc1cc(NC(=O)NC[C@@H]2CCCO[C@H]2C(C)(C)C)ccc1C(=O)[O-] ZINC000738439318 600506112 /nfs/dbraw/zinc/50/61/12/600506112.db2.gz CXMNMBVZWYTANO-XJKSGUPXSA-N -1 0 348.443 3.656 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)[C@H](C)Cc1ccccc1F ZINC000736187751 600510540 /nfs/dbraw/zinc/51/05/40/600510540.db2.gz ZRAZCLQPEKHMTK-LLVKDONJSA-N -1 0 344.338 3.511 20 0 EHADRM Cc1cccc2c1CCN(C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)C2 ZINC000738747016 600516756 /nfs/dbraw/zinc/51/67/56/600516756.db2.gz CTELNBNTKYPCLG-UHFFFAOYSA-N -1 0 344.798 3.937 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)[C@@H](C)c1cccc(C)c1 ZINC000737871206 600522940 /nfs/dbraw/zinc/52/29/40/600522940.db2.gz IVHHHGBLRJAFSV-PLWJUESGSA-N -1 0 340.375 3.811 20 0 EHADRM CCN(C(=O)[C@H](C)Oc1cccc(C)c1)c1ccccc1C(=O)[O-] ZINC000737049816 600523947 /nfs/dbraw/zinc/52/39/47/600523947.db2.gz IMFSWCULJAAQAA-AWEZNQCLSA-N -1 0 327.380 3.514 20 0 EHADRM Cc1cccc([C@H](C)C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)c1 ZINC000362525058 600524548 /nfs/dbraw/zinc/52/45/48/600524548.db2.gz KUAGCVGNOSYKJM-AWEZNQCLSA-N -1 0 345.826 3.865 20 0 EHADRM CC[C@](NC(=O)[C@@H](C)c1cccc(C)c1)(C(=O)[O-])c1ccccc1 ZINC000485371341 600527126 /nfs/dbraw/zinc/52/71/26/600527126.db2.gz GHKYWFLLYANWSZ-MGPUTAFESA-N -1 0 325.408 3.605 20 0 EHADRM CC(C)Cn1cc(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c2ccccc21 ZINC000675987221 600529858 /nfs/dbraw/zinc/52/98/58/600529858.db2.gz TXRBTQYVFLXGRX-INIZCTEOSA-N -1 0 330.428 3.526 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1cccc(OCc2cccs2)c1)C(=O)[O-] ZINC000675984579 600530915 /nfs/dbraw/zinc/53/09/15/600530915.db2.gz GFYCMRGWRNSNNP-HNNXBMFYSA-N -1 0 347.436 3.556 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@H](Cc2ccccc2)C(C)C)cc1C(=O)[O-] ZINC000262419823 600546504 /nfs/dbraw/zinc/54/65/04/600546504.db2.gz CKYJDISGEZHUFJ-QGZVFWFLSA-N -1 0 343.423 3.760 20 0 EHADRM CC(C)(Oc1cccc(Cl)c1)C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000736344031 600549540 /nfs/dbraw/zinc/54/95/40/600549540.db2.gz QZKZMKYZVQAGME-UHFFFAOYSA-N -1 0 348.782 3.730 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[C@@H](C)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000736869324 600550827 /nfs/dbraw/zinc/55/08/27/600550827.db2.gz DKLYPXWIXZZIKT-RVBZMBCESA-N -1 0 332.227 3.712 20 0 EHADRM CCc1ccc([C@H]2CCCCCN2C(=O)c2ccc(C(=O)[O-])nc2)o1 ZINC000236983188 600551093 /nfs/dbraw/zinc/55/10/93/600551093.db2.gz UBQJHEGJXVRRMU-MRXNPFEDSA-N -1 0 342.395 3.693 20 0 EHADRM Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)NCCC(=O)[O-] ZINC000263501122 600551660 /nfs/dbraw/zinc/55/16/60/600551660.db2.gz SZAVVFNRBASQBK-AWEZNQCLSA-N -1 0 342.395 3.731 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)CO[C@@H]1CCCC[C@@H]1C ZINC000262440542 600553877 /nfs/dbraw/zinc/55/38/77/600553877.db2.gz UNPBXTLWWBBFBE-XJKSGUPXSA-N -1 0 349.427 3.706 20 0 EHADRM COc1ccc2cc(/C=C\C(=O)N(CCC(=O)[O-])C(C)C)ccc2c1 ZINC000738079781 600559043 /nfs/dbraw/zinc/55/90/43/600559043.db2.gz RWGJJXNZSPNHQB-UITAMQMPSA-N -1 0 341.407 3.573 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000262880400 600560575 /nfs/dbraw/zinc/56/05/75/600560575.db2.gz AYAFEAITHRKHDQ-MRXNPFEDSA-N -1 0 332.444 3.670 20 0 EHADRM COc1ccc(Cl)cc1CN(C)C(=O)c1ccccc1NC(=O)[O-] ZINC000738013319 600567083 /nfs/dbraw/zinc/56/70/83/600567083.db2.gz GMKBVDZBIMFBCH-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM CCOc1ccc([C@H](C)NC(=O)c2ccccc2NC(=O)[O-])cc1 ZINC000737195682 600567430 /nfs/dbraw/zinc/56/74/30/600567430.db2.gz WFDLHHUDHXKBAL-LBPRGKRZSA-N -1 0 328.368 3.666 20 0 EHADRM O=C([O-])c1cccc(CS[C@@H]2CCCN(c3ccccc3)C2=O)c1 ZINC000740225345 600567724 /nfs/dbraw/zinc/56/77/24/600567724.db2.gz IILRPBDPIRHESI-QGZVFWFLSA-N -1 0 341.432 3.814 20 0 EHADRM CCOc1ccccc1[C@@H](C)NC(=O)c1ccccc1NC(=O)[O-] ZINC000737213814 600569540 /nfs/dbraw/zinc/56/95/40/600569540.db2.gz YMUYGSNQOYJGDE-GFCCVEGCSA-N -1 0 328.368 3.666 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000740047518 600573763 /nfs/dbraw/zinc/57/37/63/600573763.db2.gz UWNAUXMPBLRYOJ-OAHLLOKOSA-N -1 0 344.342 3.559 20 0 EHADRM Cc1ccc(C(=O)O[C@@H](CC(C)C)C(=O)[O-])cc1Oc1ccncc1 ZINC000738546374 600574508 /nfs/dbraw/zinc/57/45/08/600574508.db2.gz WJUPNUZORRVTTQ-KRWDZBQOSA-N -1 0 343.379 3.838 20 0 EHADRM CC(C)C[C@H](OC(=O)[C@@H](C)Sc1ccccc1Cl)C(=O)[O-] ZINC000736428862 600574926 /nfs/dbraw/zinc/57/49/26/600574926.db2.gz WGWCZPORSIQCSW-PWSUYJOCSA-N -1 0 330.833 3.863 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=S)Nc2ccc(Cl)nc2)c1 ZINC000740071840 600582352 /nfs/dbraw/zinc/58/23/52/600582352.db2.gz CMBJUDGZGZZZMY-UHFFFAOYSA-N -1 0 342.207 3.896 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)c1cc2occc2s1 ZINC000739723640 600583782 /nfs/dbraw/zinc/58/37/82/600583782.db2.gz PNGUQDCCVMLINN-UHFFFAOYSA-N -1 0 329.377 3.611 20 0 EHADRM C[C@H](CC(=O)[O-])S[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000736549913 600585680 /nfs/dbraw/zinc/58/56/80/600585680.db2.gz BLDCAGDNNXREEO-HTQZYQBOSA-N -1 0 336.240 3.917 20 0 EHADRM Cc1c(Cl)cccc1OCC(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000738201817 600586092 /nfs/dbraw/zinc/58/60/92/600586092.db2.gz HNHLTPGHESJKEH-UHFFFAOYSA-N -1 0 348.786 3.780 20 0 EHADRM Cc1ccc(CCCC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000738589689 600592172 /nfs/dbraw/zinc/59/21/72/600592172.db2.gz URMYYBMCVGBAGX-IBGZPJMESA-N -1 0 325.408 3.602 20 0 EHADRM C[C@@H](NC(=O)[C@@H](C)SC[C@@H](C)C(=O)[O-])c1ccc2ccccc2c1 ZINC000736614509 600597393 /nfs/dbraw/zinc/59/73/93/600597393.db2.gz DGIWOGDQWIHXCR-MGPQQGTHSA-N -1 0 345.464 3.859 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000736618074 600597830 /nfs/dbraw/zinc/59/78/30/600597830.db2.gz LWRHHWDSTWONNG-RHSMWYFYSA-N -1 0 343.448 3.699 20 0 EHADRM CCCCCC(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000486387082 600599324 /nfs/dbraw/zinc/59/93/24/600599324.db2.gz IAEVFXXTLCIIFL-QGZVFWFLSA-N -1 0 327.424 3.780 20 0 EHADRM C[C@@H](NC(=O)[C@@H](C)SC[C@@H](C)C(=O)[O-])c1cccc2ccccc21 ZINC000736613558 600599645 /nfs/dbraw/zinc/59/96/45/600599645.db2.gz AMILEAAJSXMGIX-MGPQQGTHSA-N -1 0 345.464 3.859 20 0 EHADRM O=C([O-])[C@@H](Nc1ccc(O[C@@H]2CCOC2)cc1)c1cccc(Cl)c1 ZINC000739511688 600599731 /nfs/dbraw/zinc/59/97/31/600599731.db2.gz IZEBYXXDOCSTLH-SJORKVTESA-N -1 0 347.798 3.746 20 0 EHADRM CN(C(=O)COc1cccc2ccccc21)[C@H](C(=O)[O-])c1ccccc1 ZINC000737323395 600600745 /nfs/dbraw/zinc/60/07/45/600600745.db2.gz QFSQTIGEOOFPSH-FQEVSTJZSA-N -1 0 349.386 3.503 20 0 EHADRM O=C([O-])[C@H](CNC(=O)C[C@H]1C=CCC1)Cc1cccc2ccccc21 ZINC000262838072 600601627 /nfs/dbraw/zinc/60/16/27/600601627.db2.gz SWCXNRAGEACZOQ-YJBOKZPZSA-N -1 0 337.419 3.556 20 0 EHADRM CCN(c1ccc(C(=O)N(CC(=O)[O-])c2ccccc2)cc1)C(C)C ZINC000337743876 600602184 /nfs/dbraw/zinc/60/21/84/600602184.db2.gz MWNVDBLESRAUSY-UHFFFAOYSA-N -1 0 340.423 3.653 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccccc1 ZINC000324758876 600606458 /nfs/dbraw/zinc/60/64/58/600606458.db2.gz UZWGTTGZYAHDSB-UHFFFAOYSA-N -1 0 341.260 3.576 20 0 EHADRM C[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1Cl ZINC000237579662 600608116 /nfs/dbraw/zinc/60/81/16/600608116.db2.gz COMNGJAKCMWVII-LLVKDONJSA-N -1 0 349.789 3.987 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C[C@H]1CCc2ccccc21)c1ccc(F)cc1 ZINC000675948178 600608781 /nfs/dbraw/zinc/60/87/81/600608781.db2.gz VBLBUJWIYYZEHJ-QAPCUYQASA-N -1 0 341.382 3.578 20 0 EHADRM C[C@](NC(=O)CCCc1ccc(Cl)c(Cl)c1)(C(=O)[O-])C1CC1 ZINC000237436755 600616981 /nfs/dbraw/zinc/61/69/81/600616981.db2.gz LFYUYIXVONBYSC-MRXNPFEDSA-N -1 0 344.238 3.686 20 0 EHADRM CCO[C@H](C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1ccccc1 ZINC000181867655 600620673 /nfs/dbraw/zinc/62/06/73/600620673.db2.gz FDBCYEBZMRHJME-HNNXBMFYSA-N -1 0 333.771 3.755 20 0 EHADRM CCN(CC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1ccccc1 ZINC000737069826 600621146 /nfs/dbraw/zinc/62/11/46/600621146.db2.gz WDZVQGIMMARZOS-UHFFFAOYSA-N -1 0 332.787 3.503 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2cc(F)c(F)c(F)c2F)c1 ZINC000322879479 600621954 /nfs/dbraw/zinc/62/19/54/600621954.db2.gz AYFHQDKYOGMZIG-UHFFFAOYSA-N -1 0 347.651 3.847 20 0 EHADRM COc1ccc(CCC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000322576635 600622100 /nfs/dbraw/zinc/62/21/00/600622100.db2.gz GVHLDXAWWQRLHZ-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM Cn1c(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc2ccccc21 ZINC000739012407 600624597 /nfs/dbraw/zinc/62/45/97/600624597.db2.gz CVUYZMNEAVSLDG-UHFFFAOYSA-N -1 0 328.755 3.782 20 0 EHADRM O=C([O-])c1cc(NC(=O)NCC2(c3cccc(F)c3)CC2)ccc1F ZINC000739408164 600624992 /nfs/dbraw/zinc/62/49/92/600624992.db2.gz WIBUJZVAWQUXGL-UHFFFAOYSA-N -1 0 346.333 3.516 20 0 EHADRM CCc1cccc(CC)c1S(=O)(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000737266663 600635538 /nfs/dbraw/zinc/63/55/38/600635538.db2.gz GTBPVEBULSIDSS-UHFFFAOYSA-N -1 0 348.424 3.702 20 0 EHADRM Cc1cc(OCc2nnc(-c3ccc(C)cc3)o2)c(C(=O)[O-])s1 ZINC000320406598 600638648 /nfs/dbraw/zinc/63/86/48/600638648.db2.gz HCSCXJZXCCPRSR-UHFFFAOYSA-N -1 0 330.365 3.692 20 0 EHADRM Cc1cc(OCC(=O)Nc2ccc(C(C)C)cc2)c(C(=O)[O-])s1 ZINC000320585167 600639509 /nfs/dbraw/zinc/63/95/09/600639509.db2.gz PAYKTMRRULUMDD-UHFFFAOYSA-N -1 0 333.409 3.896 20 0 EHADRM CC(C)(C)[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000678978857 600642519 /nfs/dbraw/zinc/64/25/19/600642519.db2.gz LUXAHTATAMGQCH-BRWVUGGUSA-N -1 0 325.408 3.559 20 0 EHADRM Cc1ccc(-c2cnc(COC(=O)c3ccccc3C(=O)[O-])o2)cc1 ZINC000832907355 600659066 /nfs/dbraw/zinc/65/90/66/600659066.db2.gz SJQJXOVUOAKIHT-UHFFFAOYSA-N -1 0 337.331 3.705 20 0 EHADRM CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000236847824 600659688 /nfs/dbraw/zinc/65/96/88/600659688.db2.gz XGCUNZVMBPTJDJ-RTBURBONSA-N -1 0 337.419 3.928 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)Nc2ncc(C(=O)[O-])s2)cc1 ZINC000736511784 600659780 /nfs/dbraw/zinc/65/97/80/600659780.db2.gz DDKGUOOIZFEZPU-QWHCGFSZSA-N -1 0 330.409 3.707 20 0 EHADRM O=C([O-])c1ccccc1C(=O)OCc1ncc(-c2ccccc2F)o1 ZINC000833332657 600659749 /nfs/dbraw/zinc/65/97/49/600659749.db2.gz HHNLTZCUODIUBR-UHFFFAOYSA-N -1 0 341.294 3.536 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000236733521 600661055 /nfs/dbraw/zinc/66/10/55/600661055.db2.gz SIJIPRJNYGAGLA-MSOLQXFVSA-N -1 0 331.456 3.873 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1C ZINC000374855419 600661726 /nfs/dbraw/zinc/66/17/26/600661726.db2.gz NUZGJAZBQWXYTK-SQNIBIBYSA-N -1 0 329.440 3.858 20 0 EHADRM CSc1ccc(O[C@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000479405456 600661934 /nfs/dbraw/zinc/66/19/34/600661934.db2.gz IDCXNCMXJJBZOI-SNVBAGLBSA-N -1 0 349.383 3.652 20 0 EHADRM Cc1ncccc1C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000833009543 600665910 /nfs/dbraw/zinc/66/59/10/600665910.db2.gz ZSLCVTLFQUZULC-CYBMUJFWSA-N -1 0 340.162 3.680 20 0 EHADRM CCN(C(=O)C(C)(C)Oc1ccc(F)cc1)c1ccccc1C(=O)[O-] ZINC000737049023 600673306 /nfs/dbraw/zinc/67/33/06/600673306.db2.gz AGJWTSDUVLIIOE-UHFFFAOYSA-N -1 0 345.370 3.734 20 0 EHADRM Cc1ccc(Cl)c(O[C@@H](C)C(=O)Oc2ccccc2CC(=O)[O-])c1 ZINC000738602183 600677226 /nfs/dbraw/zinc/67/72/26/600677226.db2.gz IYPMSMXJNNAZGQ-LBPRGKRZSA-N -1 0 348.782 3.648 20 0 EHADRM Cc1sc(NC(=O)CNc2ccc(CCC(=O)[O-])cc2)c(C)c1C ZINC000738996494 600678150 /nfs/dbraw/zinc/67/81/50/600678150.db2.gz JWZWYVGZBBMVPL-UHFFFAOYSA-N -1 0 346.452 3.741 20 0 EHADRM Cc1ccc2[nH]c(C(=O)O[C@H](C(=O)[O-])c3ccccc3F)cc2c1C ZINC000832959167 600678696 /nfs/dbraw/zinc/67/86/96/600678696.db2.gz QNSVRMGHQDSPEI-KRWDZBQOSA-N -1 0 341.338 3.907 20 0 EHADRM CS[C@H](C(=O)O[C@@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000832736208 600680143 /nfs/dbraw/zinc/68/01/43/600680143.db2.gz SHHMXCALSRMXNC-CABCVRRESA-N -1 0 334.368 3.599 20 0 EHADRM O=C([O-])c1cc(NCc2ccco2)c2cc(Br)ccc2n1 ZINC000740089475 600687247 /nfs/dbraw/zinc/68/72/47/600687247.db2.gz YNPGSECMVWSZTN-UHFFFAOYSA-N -1 0 347.168 3.901 20 0 EHADRM Cc1nc(NC(=O)[C@@H](CC(C)C)c2ccccc2)sc1C(=O)[O-] ZINC000738362571 600688125 /nfs/dbraw/zinc/68/81/25/600688125.db2.gz YHLFVUXDHMAZKE-ZDUSSCGKSA-N -1 0 332.425 3.918 20 0 EHADRM CC(C)(C)c1cccc(OS(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000736298779 600688532 /nfs/dbraw/zinc/68/85/32/600688532.db2.gz BJWUQTPSIBBVSM-UHFFFAOYSA-N -1 0 340.422 3.512 20 0 EHADRM CC(C)(C)c1csc(-c2cccc(OC(=O)[C@H]3C[C@H]3C(=O)[O-])c2)n1 ZINC000736298593 600690957 /nfs/dbraw/zinc/69/09/57/600690957.db2.gz BUSZLRBXZZJIGV-OLZOCXBDSA-N -1 0 345.420 3.734 20 0 EHADRM C[C@@H](Oc1ccc(F)cc1)c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000827890751 600692580 /nfs/dbraw/zinc/69/25/80/600692580.db2.gz ZCGMCKNNSBHLBG-SNVBAGLBSA-N -1 0 328.299 3.714 20 0 EHADRM CC(C)[C@@H](OC(=O)C[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000827392151 600693408 /nfs/dbraw/zinc/69/34/08/600693408.db2.gz UBLWGJOZCCBXHX-IINYFYTJSA-N -1 0 332.318 3.851 20 0 EHADRM O=C([O-])c1ccc(-c2noc([C@@H]3C[C@]34CCc3ccccc34)n2)cc1 ZINC000833309074 600693445 /nfs/dbraw/zinc/69/34/45/600693445.db2.gz XUPKBUZAUKKHBB-JXFKEZNVSA-N -1 0 332.359 3.806 20 0 EHADRM C[C@@H](Cc1nc(-c2cccc(C(=O)[O-])c2)no1)c1cccc(F)c1 ZINC000827597107 600693741 /nfs/dbraw/zinc/69/37/41/600693741.db2.gz LOQKUCOJVOXFSP-NSHDSACASA-N -1 0 326.327 3.920 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)cc1 ZINC000833315685 600696049 /nfs/dbraw/zinc/69/60/49/600696049.db2.gz VPCOUZGCZPXGNU-DZGCQCFKSA-N -1 0 332.302 3.510 20 0 EHADRM Cc1nc(C(F)(F)F)ccc1-c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000832993870 600698116 /nfs/dbraw/zinc/69/81/16/600698116.db2.gz IWLKXOOZXFCVKJ-UHFFFAOYSA-N -1 0 349.268 3.824 20 0 EHADRM Cc1ccc(C)c(OCCc2nc(-c3cccc(C(=O)[O-])c3)no2)c1 ZINC000832925042 600699330 /nfs/dbraw/zinc/69/93/30/600699330.db2.gz CPLMFUCTSGFUCA-UHFFFAOYSA-N -1 0 338.363 3.673 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000262977966 600700112 /nfs/dbraw/zinc/70/01/12/600700112.db2.gz KNVQXLHVJJGZIV-ONGXEEELSA-N -1 0 345.226 3.561 20 0 EHADRM O=C([O-])c1cccc(-c2noc(CCOc3cccc(Cl)c3)n2)c1 ZINC000833327561 600700426 /nfs/dbraw/zinc/70/04/26/600700426.db2.gz CKINLELQCGFSGW-UHFFFAOYSA-N -1 0 344.754 3.710 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)cc1 ZINC000262258305 600702278 /nfs/dbraw/zinc/70/22/78/600702278.db2.gz FVMWTDDKXZMBTG-GHTZIAJQSA-N -1 0 335.403 3.546 20 0 EHADRM O=C([O-])c1sc2ccccc2c1COC(=O)[C@@H]1Cc2ccccc21 ZINC000833347411 600706749 /nfs/dbraw/zinc/70/67/49/600706749.db2.gz CLLXKOLUUWCGEX-CQSZACIVSA-N -1 0 338.384 3.983 20 0 EHADRM C[C@@H]1CCN(c2cc(C(=O)[O-])nc3ccc(Br)cc32)C1 ZINC000736799393 600707103 /nfs/dbraw/zinc/70/71/03/600707103.db2.gz PZTNVDSLSGUHOT-SECBINFHSA-N -1 0 335.201 3.542 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)[C@@H]1C[C@@]12CCc1ccccc12)c1ccccc1 ZINC000192861929 600707328 /nfs/dbraw/zinc/70/73/28/600707328.db2.gz HQEMEDHDXMENOC-CNNODRBYSA-N -1 0 349.430 3.613 20 0 EHADRM CCC[C@@H]1[C@H](C)CCCN1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000829244851 600709189 /nfs/dbraw/zinc/70/91/89/600709189.db2.gz BZMBHPMZBIMXRQ-RHSMWYFYSA-N -1 0 332.444 3.538 20 0 EHADRM C[C@H](OC(=O)[C@@H]1SCCc2ccccc21)c1ccc(C(=O)[O-])o1 ZINC000827825936 600712468 /nfs/dbraw/zinc/71/24/68/600712468.db2.gz JMVMRGOYGXRRAX-ZUZCIYMTSA-N -1 0 332.377 3.613 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000827427565 600721734 /nfs/dbraw/zinc/72/17/34/600721734.db2.gz KMMXZDVCXXDEKJ-YVEFUNNKSA-N -1 0 348.345 3.903 20 0 EHADRM C[C@H](C(=O)OCc1c2ccccc2sc1C(=O)[O-])C(F)(F)F ZINC000826064846 600725826 /nfs/dbraw/zinc/72/58/26/600725826.db2.gz QGMIZEDBEWTMJM-SSDOTTSWSA-N -1 0 332.299 3.841 20 0 EHADRM C[C@@H](CCOc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000827421897 600741839 /nfs/dbraw/zinc/74/18/39/600741839.db2.gz DEHVOJOUCUUSQF-GUYCJALGSA-N -1 0 346.354 3.600 20 0 EHADRM Cc1cc(C)cc(CCNC(=O)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC000738364641 600747084 /nfs/dbraw/zinc/74/70/84/600747084.db2.gz YCNXFWVHWXFWFC-UHFFFAOYSA-N -1 0 340.423 3.685 20 0 EHADRM C[C@H](Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1)C(=O)[O-] ZINC000737695329 600750307 /nfs/dbraw/zinc/75/03/07/600750307.db2.gz OYVLKSNEWGCOBT-VIFPVBQESA-N -1 0 326.274 3.778 20 0 EHADRM CCO[C@@H]1C[C@@H](OC(=O)c2ccc(NC(=O)[O-])cc2)C12CCCC2 ZINC000737164234 600757281 /nfs/dbraw/zinc/75/72/81/600757281.db2.gz BSCCJDANQPECGC-HUUCEWRRSA-N -1 0 333.384 3.671 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)N[C@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000833287229 600774118 /nfs/dbraw/zinc/77/41/18/600774118.db2.gz GJGWWBHRUFNZJG-SJORKVTESA-N -1 0 345.443 3.587 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)NCCCCC2CCCC2)cc1 ZINC000833287539 600774127 /nfs/dbraw/zinc/77/41/27/600774127.db2.gz LDQLTFWHAUXLKU-UHFFFAOYSA-N -1 0 347.459 3.979 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)NCCCCC1CCCC1 ZINC000830814623 600778365 /nfs/dbraw/zinc/77/83/65/600778365.db2.gz KNBIBYOVTGBHPT-UHFFFAOYSA-N -1 0 332.444 3.887 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCCOc1ccc(SC)cc1 ZINC000831916706 600800666 /nfs/dbraw/zinc/80/06/66/600800666.db2.gz BBJHFJIECBFCQH-UHFFFAOYSA-N -1 0 334.393 3.573 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCc1ccccc1)c1cccc(Cl)c1 ZINC000776675043 600805267 /nfs/dbraw/zinc/80/52/67/600805267.db2.gz YGZIROOAPCDANN-MRXNPFEDSA-N -1 0 331.799 3.605 20 0 EHADRM Cc1ccccc1-c1noc([C@H](C)Sc2ncccc2C(=O)[O-])n1 ZINC000832973705 600805704 /nfs/dbraw/zinc/80/57/04/600805704.db2.gz BGGLQIQSJVHDNX-NSHDSACASA-N -1 0 341.392 3.992 20 0 EHADRM Cc1ccccc1S[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000832982024 600805933 /nfs/dbraw/zinc/80/59/33/600805933.db2.gz VFNUROWNTDOKBR-ZDUSSCGKSA-N -1 0 333.434 3.652 20 0 EHADRM Cc1ccc2c(CCC(=O)Nc3ccc(F)cc3C(=O)[O-])c[nH]c2c1 ZINC000832959221 600818714 /nfs/dbraw/zinc/81/87/14/600818714.db2.gz DUPRWZDZUPBICG-UHFFFAOYSA-N -1 0 340.354 3.885 20 0 EHADRM Cc1ccc(CS[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)cc1 ZINC000832934257 600825123 /nfs/dbraw/zinc/82/51/23/600825123.db2.gz MZQDGUMEUWBZBJ-CQSZACIVSA-N -1 0 347.461 3.793 20 0 EHADRM COc1ccc(-c2cnc(CNc3cc(C(=O)[O-])ccc3F)o2)cc1 ZINC000832124274 600825990 /nfs/dbraw/zinc/82/59/90/600825990.db2.gz MWZSOPSIRCNNCI-UHFFFAOYSA-N -1 0 342.326 3.800 20 0 EHADRM COc1ccc(NCc2ncc(-c3cccs3)o2)c(C(=O)[O-])c1 ZINC000832413203 600826488 /nfs/dbraw/zinc/82/64/88/600826488.db2.gz JJIMCBYBLKGLNZ-UHFFFAOYSA-N -1 0 330.365 3.722 20 0 EHADRM COc1ccc(NCc2ncc(-c3ccc(C)cc3)o2)c(C(=O)[O-])c1 ZINC000832413202 600826559 /nfs/dbraw/zinc/82/65/59/600826559.db2.gz JHBSZXVRNBIFFV-UHFFFAOYSA-N -1 0 338.363 3.969 20 0 EHADRM Cc1cccc2c(CCC(=O)Nc3cc(C(=O)[O-])ccc3F)c[nH]c21 ZINC000237762134 600829369 /nfs/dbraw/zinc/82/93/69/600829369.db2.gz QTXSEXBQPFHOAS-UHFFFAOYSA-N -1 0 340.354 3.885 20 0 EHADRM CCc1ccc(CC(=O)Oc2ccc(/C=C/C(=O)[O-])cc2OC)cc1 ZINC000737260517 600829755 /nfs/dbraw/zinc/82/97/55/600829755.db2.gz ROVYGYBMWPYQMX-PKNBQFBNSA-N -1 0 340.375 3.504 20 0 EHADRM Cc1c(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)cccc1C(=O)[O-] ZINC000675965774 600830452 /nfs/dbraw/zinc/83/04/52/600830452.db2.gz AAHWOPWEXNWDCV-OLZOCXBDSA-N -1 0 331.318 3.714 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000237252485 600831458 /nfs/dbraw/zinc/83/14/58/600831458.db2.gz QSLTZIISJDTZNY-UHFFFAOYSA-N -1 0 337.847 3.766 20 0 EHADRM COc1ccc2[nH]c(S[C@@H](C(=O)[O-])c3ccccc3F)nc2c1 ZINC000832510206 600832323 /nfs/dbraw/zinc/83/23/23/600832323.db2.gz GOXLTQXPDTYTMX-CQSZACIVSA-N -1 0 332.356 3.629 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000675949000 600837417 /nfs/dbraw/zinc/83/74/17/600837417.db2.gz YSNJHROGGAOEAR-SQNIBIBYSA-N -1 0 345.439 3.544 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)cc1 ZINC000238043873 600839575 /nfs/dbraw/zinc/83/95/75/600839575.db2.gz LFNHWBQBTPFPTO-GDBMZVCRSA-N -1 0 345.345 3.724 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000740066248 600840402 /nfs/dbraw/zinc/84/04/02/600840402.db2.gz OZLUSKNFVRWVLN-GXSJLCMTSA-N -1 0 335.281 3.544 20 0 EHADRM C[C@@H]1CCC[C@@H](C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC000621564838 600842203 /nfs/dbraw/zinc/84/22/03/600842203.db2.gz XFXSWSVTOIZQHN-NXEZZACHSA-N -1 0 327.327 3.751 20 0 EHADRM Cc1cc(C(=O)[O-])c2sc(NC(=O)C3CCCCCCC3)nc2n1 ZINC000738341545 600842721 /nfs/dbraw/zinc/84/27/21/600842721.db2.gz GMMHXMLTMJGOLJ-UHFFFAOYSA-N -1 0 347.440 3.997 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2c(F)cc(F)cc2F)cc1Cl ZINC000316043107 600843587 /nfs/dbraw/zinc/84/35/87/600843587.db2.gz LMZLYGUCUIJIGW-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM Cc1cccc2cc(C(=O)N3C[C@H](CC(=O)[O-])c4ccccc43)oc21 ZINC000738750035 600849320 /nfs/dbraw/zinc/84/93/20/600849320.db2.gz OHRLQTIQBOXCQH-AWEZNQCLSA-N -1 0 335.359 3.960 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(OC2CCC2)cc1)c1ccccc1 ZINC000769516212 600850615 /nfs/dbraw/zinc/85/06/15/600850615.db2.gz NGIHESPVGOATIT-GOSISDBHSA-N -1 0 339.391 3.564 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000237525259 600851160 /nfs/dbraw/zinc/85/11/60/600851160.db2.gz IQXLDZKPGCXJRU-RDTXWAMCSA-N -1 0 343.398 3.727 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)c2cccc(OC(F)F)c2)c2ccccc21 ZINC000327181594 600852798 /nfs/dbraw/zinc/85/27/98/600852798.db2.gz VXENEGPCZBNXPJ-GFCCVEGCSA-N -1 0 347.317 3.507 20 0 EHADRM Cc1cccc(C2(C(=O)N3C[C@H](CC(=O)[O-])c4ccccc43)CC2)c1 ZINC000738687022 600853231 /nfs/dbraw/zinc/85/32/31/600853231.db2.gz BJCQEAIAXJMJIC-HNNXBMFYSA-N -1 0 335.403 3.632 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)/C=C/Sc2ccccc2)c2ccccc21 ZINC000739640706 600860932 /nfs/dbraw/zinc/86/09/32/600860932.db2.gz GUGQNBBFHHKWMY-PLSXKVAHSA-N -1 0 339.416 3.898 20 0 EHADRM CC(C)C[C@H](NC(=O)c1cccc(C(=O)[O-])n1)c1ccc(Cl)cc1 ZINC000736424557 600864870 /nfs/dbraw/zinc/86/48/70/600864870.db2.gz IKWKGMFPERHZTD-INIZCTEOSA-N -1 0 346.814 3.950 20 0 EHADRM CCC[C@@](C)(NC(=O)c1ccc(-c2ccc(CC)cc2)o1)C(=O)[O-] ZINC000829193950 600867428 /nfs/dbraw/zinc/86/74/28/600867428.db2.gz OYTSZBKPNBUCLJ-LJQANCHMSA-N -1 0 329.396 3.882 20 0 EHADRM CC(C)[C@H](C)C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000736355223 600867581 /nfs/dbraw/zinc/86/75/81/600867581.db2.gz MOOLLLPAKXSXDB-ZETCQYMHSA-N -1 0 332.169 3.517 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N1C[C@H](C)CCC[C@H]1C)C(=O)[O-] ZINC000736775860 600870358 /nfs/dbraw/zinc/87/03/58/600870358.db2.gz SYJRGZGEGQXSSB-MGPQQGTHSA-N -1 0 335.469 3.903 20 0 EHADRM CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000320692644 600870963 /nfs/dbraw/zinc/87/09/63/600870963.db2.gz MUDUTGJQYBGMSB-MNOVXSKESA-N -1 0 344.238 3.843 20 0 EHADRM COc1ccc2ccc(OC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)cc2c1 ZINC000832504182 600873451 /nfs/dbraw/zinc/87/34/51/600873451.db2.gz FYKSHOZYOSPXTF-KBPBESRZSA-N -1 0 328.364 3.645 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)c1OC ZINC000675998504 600875936 /nfs/dbraw/zinc/87/59/36/600875936.db2.gz UAJFFXAHVAAJDA-DOMZBBRYSA-N -1 0 347.411 3.579 20 0 EHADRM Cc1cccc(CCC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000261760588 600878796 /nfs/dbraw/zinc/87/87/96/600878796.db2.gz VTRHKLHLDWJCNB-UHFFFAOYSA-N -1 0 325.408 3.929 20 0 EHADRM C[C@@H]1CCN(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c2ccccc2S1 ZINC000828279264 600878939 /nfs/dbraw/zinc/87/89/39/600878939.db2.gz VQFWIHHQIHQREX-RDBSUJKOSA-N -1 0 333.453 3.795 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Cc2ccccc2Cl)cc1 ZINC000390960635 600879239 /nfs/dbraw/zinc/87/92/39/600879239.db2.gz MJDNCEYWNWRGTI-UHFFFAOYSA-N -1 0 331.799 3.883 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)NC3(C(=O)[O-])CCCCCC3)c2c1 ZINC000431976411 600879484 /nfs/dbraw/zinc/87/94/84/600879484.db2.gz CUGWMMWGXSIZAT-UHFFFAOYSA-N -1 0 342.439 3.703 20 0 EHADRM CCCOc1ccc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1Cl ZINC000323908760 600899708 /nfs/dbraw/zinc/89/97/08/600899708.db2.gz JHBILYQLQZCERM-RYUDHWBXSA-N -1 0 339.819 3.958 20 0 EHADRM Cc1[nH]c(C(=O)Nc2cc(C)c(C)c3ncccc23)c(C)c1C(=O)[O-] ZINC000832895370 600921267 /nfs/dbraw/zinc/92/12/67/600921267.db2.gz UFNKFTFIPDMQAX-UHFFFAOYSA-N -1 0 337.379 3.747 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1ccccc1Cc1ccccc1)C(=O)[O-] ZINC000486287470 600923570 /nfs/dbraw/zinc/92/35/70/600923570.db2.gz YOKNPPQIFRFIQM-GOSISDBHSA-N -1 0 339.435 3.754 20 0 EHADRM CC(C)C[C@@H](CNC(=O)[C@@H](OC1CCCC1)c1ccccc1)C(=O)[O-] ZINC000486287336 600925797 /nfs/dbraw/zinc/92/57/97/600925797.db2.gz WYXIQLZXZAUIHD-WMZOPIPTSA-N -1 0 347.455 3.550 20 0 EHADRM CCC(CC)(NC(=O)CCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000342562019 600925881 /nfs/dbraw/zinc/92/58/81/600925881.db2.gz IPNAEFXOFGDCAX-UHFFFAOYSA-N -1 0 332.227 3.686 20 0 EHADRM CC(C)C[C@@H](CNC(=O)[C@H](C)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000678983442 600927438 /nfs/dbraw/zinc/92/74/38/600927438.db2.gz ROGWKXWUBOQZMS-MNOVXSKESA-N -1 0 346.254 3.960 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)C2C(C)(C)C2(C)C)cc1 ZINC000237355984 600928180 /nfs/dbraw/zinc/92/81/80/600928180.db2.gz XUZPBRJYAAVYSC-ZDUSSCGKSA-N -1 0 335.469 3.723 20 0 EHADRM CCCC[C@H](Sc1nnc(COc2ccc(C)cc2)o1)C(=O)[O-] ZINC000736984766 600937446 /nfs/dbraw/zinc/93/74/46/600937446.db2.gz KBNFMYLVUVMXPD-ZDUSSCGKSA-N -1 0 336.413 3.693 20 0 EHADRM O=C([O-])CCN(C(=O)c1ccc(Cl)cc1F)c1cccc(F)c1 ZINC000739710608 600939677 /nfs/dbraw/zinc/93/96/77/600939677.db2.gz FTIFZMGESATCPZ-UHFFFAOYSA-N -1 0 339.725 3.740 20 0 EHADRM COC(=O)c1ccc(NC(=O)c2cccc3ccccc32)cc1C(=O)[O-] ZINC000831430445 600941158 /nfs/dbraw/zinc/94/11/58/600941158.db2.gz BNAVZMXNERUKJU-UHFFFAOYSA-N -1 0 349.342 3.577 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)NCC2CCC(c3ccccc3)CC2)C1 ZINC000498655456 600941364 /nfs/dbraw/zinc/94/13/64/600941364.db2.gz ICQIAWBRILINLR-FYOYPEGLSA-N -1 0 343.467 3.968 20 0 EHADRM Cc1ccccc1OCCCN1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000738785484 600959146 /nfs/dbraw/zinc/95/91/46/600959146.db2.gz RYMNOSVSFHWQHY-INIZCTEOSA-N -1 0 325.408 3.842 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000833268648 600959439 /nfs/dbraw/zinc/95/94/39/600959439.db2.gz DEFXIOPWBBDUOW-LAUBAEHRSA-N -1 0 336.387 3.513 20 0 EHADRM CCSCC[C@H](C)NC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000262457981 600961244 /nfs/dbraw/zinc/96/12/44/600961244.db2.gz XNQVSAGYIXDWHN-NWDGAFQWSA-N -1 0 341.498 3.513 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(Oc3ccccn3)c2)s1 ZINC000432104881 600962092 /nfs/dbraw/zinc/96/20/92/600962092.db2.gz CBDPPIBZKQRUSQ-UHFFFAOYSA-N -1 0 340.360 3.886 20 0 EHADRM CC(C)Nc1ncccc1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000826983715 600962466 /nfs/dbraw/zinc/96/24/66/600962466.db2.gz CUVIIHDYBIUUFC-UHFFFAOYSA-N -1 0 333.775 3.506 20 0 EHADRM Cc1ccccc1-c1noc(CN2C[C@@H](CC(=O)[O-])c3ccccc32)n1 ZINC000738756398 600963997 /nfs/dbraw/zinc/96/39/97/600963997.db2.gz MEUMRLJADHPIBK-CQSZACIVSA-N -1 0 349.390 3.624 20 0 EHADRM CCCOc1ccc(CCC(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC000829532608 600965585 /nfs/dbraw/zinc/96/55/85/600965585.db2.gz VAQHCXARNCLSIK-UHFFFAOYSA-N -1 0 333.409 3.806 20 0 EHADRM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC000832927960 600966118 /nfs/dbraw/zinc/96/61/18/600966118.db2.gz NYMXAJQEVHCZTC-BBRMVZONSA-N -1 0 345.420 3.861 20 0 EHADRM C[C@@H]1CC[C@H](CCC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)O1 ZINC000828221086 600966961 /nfs/dbraw/zinc/96/69/61/600966961.db2.gz HMVVXSYKCOFDRV-GHMZBOCLSA-N -1 0 337.441 3.611 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2CC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)o1 ZINC000738265959 600968064 /nfs/dbraw/zinc/96/80/64/600968064.db2.gz SESLHIIHMMLQKJ-AWEZNQCLSA-N -1 0 344.411 3.641 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000827421886 600968238 /nfs/dbraw/zinc/96/82/38/600968238.db2.gz CWFILBBOXJDXCR-ZDUSSCGKSA-N -1 0 329.371 3.756 20 0 EHADRM Cc1ccccc1[C@@H]1CN([C@H](C(=O)[O-])c2cccc(Cl)c2)CCO1 ZINC000519646296 600971435 /nfs/dbraw/zinc/97/14/35/600971435.db2.gz UKTXREQLCAHEFT-ROUUACIJSA-N -1 0 345.826 3.848 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1ccc(OC2CCC2)cc1 ZINC000832524367 600971655 /nfs/dbraw/zinc/97/16/55/600971655.db2.gz VVLDMVMBPQSCGW-UHFFFAOYSA-N -1 0 342.347 3.544 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1cc(OC)ccc1C(=O)[O-] ZINC000829009775 600973806 /nfs/dbraw/zinc/97/38/06/600973806.db2.gz PSWDKRRNGVIFEM-IFIJOSMWSA-N -1 0 349.427 3.706 20 0 EHADRM CCc1[nH]c(C(=O)Nc2cc(Cl)c(Cl)cn2)c(C)c1C(=O)[O-] ZINC000830196468 600977701 /nfs/dbraw/zinc/97/77/01/600977701.db2.gz KLNHGOWJNQOZMG-UHFFFAOYSA-N -1 0 342.182 3.538 20 0 EHADRM CC[C@@H]1CN(C(=O)[C@@H](CC(C)C)NC(=O)[O-])CC[C@H]1c1ccccc1 ZINC000829134038 600981586 /nfs/dbraw/zinc/98/15/86/600981586.db2.gz KIXMKVGHIAMMPD-KBAYOESNSA-N -1 0 346.471 3.711 20 0 EHADRM O=C([O-])c1ccc(OCc2ccn(-c3ccc(F)cc3)n2)c(Cl)c1 ZINC000740167350 600983475 /nfs/dbraw/zinc/98/34/75/600983475.db2.gz FADJHHZYQCWYQH-UHFFFAOYSA-N -1 0 346.745 3.942 20 0 EHADRM O=C([O-])c1coc(CSc2n[nH]c(-c3ccc4c(c3)CCC4)n2)c1 ZINC000740270139 600992965 /nfs/dbraw/zinc/99/29/65/600992965.db2.gz YTUPEPFMHNYYDQ-UHFFFAOYSA-N -1 0 341.392 3.544 20 0 EHADRM Cc1ccc(NC(=O)NC[C@H](C(=O)[O-])c2ccccc2)c(Cl)c1 ZINC000320198246 600994123 /nfs/dbraw/zinc/99/41/23/600994123.db2.gz VUIFVYHUVMOGKB-ZDUSSCGKSA-N -1 0 332.787 3.638 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Nc2ccc(F)cc2F)cc1 ZINC000325351051 600995677 /nfs/dbraw/zinc/99/56/77/600995677.db2.gz HRFHNCZVBZSAJH-UHFFFAOYSA-N -1 0 334.322 3.971 20 0 EHADRM COc1cc(Cl)c(C)cc1NC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000391288012 600996210 /nfs/dbraw/zinc/99/62/10/600996210.db2.gz PTTHQNPBMMLFRF-LLVKDONJSA-N -1 0 342.823 3.525 20 0 EHADRM CC[C@@H]1CN(C(=O)NCCCCCC(=O)[O-])CC[C@H]1c1ccccc1 ZINC000414632084 600996282 /nfs/dbraw/zinc/99/62/82/600996282.db2.gz XGZYSODMFUJXOT-SJLPKXTDSA-N -1 0 346.471 3.857 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)Nc2nc(C)c(C(=O)[O-])s2)c1 ZINC000736343965 600996362 /nfs/dbraw/zinc/99/63/62/600996362.db2.gz XNEBOVJJBJZVBT-UHFFFAOYSA-N -1 0 346.408 3.747 20 0 EHADRM CN(C(=O)[C@H]1CCSc2ccccc21)c1ccccc1C(=O)[O-] ZINC000737314181 600997805 /nfs/dbraw/zinc/99/78/05/600997805.db2.gz PBFVXSYUQBLGOM-ZDUSSCGKSA-N -1 0 327.405 3.627 20 0 EHADRM COc1ccc2sc(C(=O)NCCCCCCC(=O)[O-])c(C)c2c1 ZINC000237344132 600998585 /nfs/dbraw/zinc/99/85/85/600998585.db2.gz OVIOUZQRJLVMQB-UHFFFAOYSA-N -1 0 349.452 3.983 20 0 EHADRM CCCc1ccccc1NC(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000324751834 601002874 /nfs/dbraw/zinc/00/28/74/601002874.db2.gz SXAFPRXWSJOFKE-INIZCTEOSA-N -1 0 326.396 3.629 20 0 EHADRM C[C@@H](C(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1)c1cccc(F)c1 ZINC000362525308 601003960 /nfs/dbraw/zinc/00/39/60/601003960.db2.gz MBOGRBIYJOQBNP-GFCCVEGCSA-N -1 0 349.789 3.696 20 0 EHADRM C[C@H](C(=O)Nc1ccc(OCCC(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000736219095 601006308 /nfs/dbraw/zinc/00/63/08/601006308.db2.gz VCCHLHZJZMDATF-LBPRGKRZSA-N -1 0 347.798 3.936 20 0 EHADRM C[C@@H](CN(C(=O)[C@@H](C)c1ccccc1C(F)(F)F)C1CC1)C(=O)[O-] ZINC000736563407 601007099 /nfs/dbraw/zinc/00/70/99/601007099.db2.gz PKKIHMHYWMLDNX-QWRGUYRKSA-N -1 0 343.345 3.521 20 0 EHADRM C[C@H](CNC(=O)Nc1cc(C(=O)[O-])ccc1F)Cc1cccs1 ZINC000827478872 601010299 /nfs/dbraw/zinc/01/02/99/601010299.db2.gz VWUCZVOOKLYAAU-JTQLQIEISA-N -1 0 336.388 3.586 20 0 EHADRM C[C@H](NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)C1CCCCC1 ZINC000320570114 601012077 /nfs/dbraw/zinc/01/20/77/601012077.db2.gz VSTCJFFLLSWFLU-VIFPVBQESA-N -1 0 326.343 3.753 20 0 EHADRM C[C@@H]1CCC[C@H](C)N(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000828233471 601012394 /nfs/dbraw/zinc/01/23/94/601012394.db2.gz PPTFCNYNXHVUJI-ZJUUUORDSA-N -1 0 326.343 3.705 20 0 EHADRM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000828123483 601014116 /nfs/dbraw/zinc/01/41/16/601014116.db2.gz VMQCDCUNGJWITB-YJBOKZPZSA-N -1 0 344.798 3.890 20 0 EHADRM C[C@@H]1Cc2ccccc2CN1C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000828516836 601023345 /nfs/dbraw/zinc/02/33/45/601023345.db2.gz UJBNEQXHUHYHQS-GFCCVEGCSA-N -1 0 325.368 3.755 20 0 EHADRM CCO[C@@H](C)c1nc(CN(C)[C@@H](C)c2ccc(C(=O)[O-])o2)cs1 ZINC000568992546 601023559 /nfs/dbraw/zinc/02/35/59/601023559.db2.gz OXDBRSGTZQYPTM-QWRGUYRKSA-N -1 0 338.429 3.725 20 0 EHADRM Cc1ccc(C#N)cc1NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000327096898 601033416 /nfs/dbraw/zinc/03/34/16/601033416.db2.gz AJEYYDIIBGPJJE-UHFFFAOYSA-N -1 0 337.379 3.873 20 0 EHADRM C[C@@H]1C[C@H]1[C@@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccc(Cl)cc1 ZINC000237454364 601034153 /nfs/dbraw/zinc/03/41/53/601034153.db2.gz XZGBPARZXGMECT-HQQWDMGQSA-N -1 0 344.798 3.560 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000833239806 601035743 /nfs/dbraw/zinc/03/57/43/601035743.db2.gz WJYFFKOUFJQENJ-IAGOWNOFSA-N -1 0 346.427 3.630 20 0 EHADRM C/C(=C\C(=O)N(c1ncc(C(=O)[O-])s1)C1CC1)c1ccc(F)cc1 ZINC000736117562 601037771 /nfs/dbraw/zinc/03/77/71/601037771.db2.gz LLGZRXAXZVGEFP-CSKARUKUSA-N -1 0 346.383 3.579 20 0 EHADRM CSCc1ccc(NC(=O)NC[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000832770972 601038068 /nfs/dbraw/zinc/03/80/68/601038068.db2.gz RGXYZFLUHZYNNC-INIZCTEOSA-N -1 0 344.436 3.540 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2ccc(C)c(C(=O)[O-])c2)s1 ZINC000832910692 601063474 /nfs/dbraw/zinc/06/34/74/601063474.db2.gz AUGVPEOFHSDXQE-UHFFFAOYSA-N -1 0 331.393 3.665 20 0 EHADRM Cc1ccc(NC(=O)Cc2coc(-c3cccs3)n2)cc1C(=O)[O-] ZINC000237686981 601063488 /nfs/dbraw/zinc/06/34/88/601063488.db2.gz FRUYWIRIGHWVGT-UHFFFAOYSA-N -1 0 342.376 3.591 20 0 EHADRM Cc1noc(C)c1C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000833019458 601066261 /nfs/dbraw/zinc/06/62/61/601066261.db2.gz MEBAAVHWBUOMLW-LBPRGKRZSA-N -1 0 344.150 3.581 20 0 EHADRM Cc1noc(C)c1C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000833019457 601066348 /nfs/dbraw/zinc/06/63/48/601066348.db2.gz MEBAAVHWBUOMLW-GFCCVEGCSA-N -1 0 344.150 3.581 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)c1cccc2cnccc21)c1ccccc1 ZINC000833222599 601067429 /nfs/dbraw/zinc/06/74/29/601067429.db2.gz UOTLQPVKSLTFEK-SFHVURJKSA-N -1 0 334.375 3.571 20 0 EHADRM O=C([O-])c1cccc(-c2nc(COC(=O)[C@@H]3CC=CCC3)cs2)c1 ZINC000833326230 601071106 /nfs/dbraw/zinc/07/11/06/601071106.db2.gz JEYPFLLNWAIWEI-GFCCVEGCSA-N -1 0 343.404 3.908 20 0 EHADRM CC(C)OCc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000827033707 601074574 /nfs/dbraw/zinc/07/45/74/601074574.db2.gz OZVALCRPVVFZFR-KRWDZBQOSA-N -1 0 346.354 3.733 20 0 EHADRM CCOc1cccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c1 ZINC000830099497 601080325 /nfs/dbraw/zinc/08/03/25/601080325.db2.gz GNDUJFSPEJGXRM-FUHWJXTLSA-N -1 0 345.439 3.581 20 0 EHADRM Cc1ccccc1CCC(=O)N1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000832980931 601080705 /nfs/dbraw/zinc/08/07/05/601080705.db2.gz PZTPVIAAABJCMD-RTBURBONSA-N -1 0 343.467 3.810 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000736903377 601087226 /nfs/dbraw/zinc/08/72/26/601087226.db2.gz IMSWLNQXKBUMAJ-INIZCTEOSA-N -1 0 342.439 3.731 20 0 EHADRM C[C@H]1CCCC[C@H]1CNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000325268951 601091116 /nfs/dbraw/zinc/09/11/16/601091116.db2.gz GXCPXONXCRTAKR-KBPBESRZSA-N -1 0 332.444 3.997 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1cc2ccccc2o1 ZINC000833180432 601091948 /nfs/dbraw/zinc/09/19/48/601091948.db2.gz VLHWIYBIQGYLOC-HZPDHXFCSA-N -1 0 341.407 3.928 20 0 EHADRM CCO[C@@H]1C[C@H](NC(=O)c2cccc(NC(=O)[O-])c2)C12CCCCC2 ZINC000737164395 601094568 /nfs/dbraw/zinc/09/45/68/601094568.db2.gz DGRCHALDJNRZPH-JKSUJKDBSA-N -1 0 346.427 3.634 20 0 EHADRM Cn1ccc2ccc(NC(=O)N[C@@H](CC(=O)[O-])c3ccccc3)cc21 ZINC000833055098 601098594 /nfs/dbraw/zinc/09/85/94/601098594.db2.gz BUVYNZYQMZOUQA-INIZCTEOSA-N -1 0 337.379 3.516 20 0 EHADRM CC(C)c1cc(NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)no1 ZINC000827111953 601100532 /nfs/dbraw/zinc/10/05/32/601100532.db2.gz BMYOKAIAJUSIHJ-UHFFFAOYSA-N -1 0 331.372 3.804 20 0 EHADRM COc1cccc2cc(C(=O)O[C@H](C(=O)[O-])c3ccccc3F)oc21 ZINC000832578397 601104241 /nfs/dbraw/zinc/10/42/41/601104241.db2.gz WPNJVLBQHYJIQC-INIZCTEOSA-N -1 0 344.294 3.563 20 0 EHADRM Cc1nc(NC(=O)c2cc(-c3ccccc3)ns2)sc1C(=O)[O-] ZINC000738865762 601114939 /nfs/dbraw/zinc/11/49/39/601114939.db2.gz CJMYXGIDWKURIU-UHFFFAOYSA-N -1 0 345.405 3.526 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc(-c3ccccc3)ns2)ccc1F ZINC000739473353 601116115 /nfs/dbraw/zinc/11/61/15/601116115.db2.gz XJTMRMHAYZYDBX-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000738831440 601116150 /nfs/dbraw/zinc/11/61/50/601116150.db2.gz FEVMGCWTHVXUOE-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM CC(C)c1cccc(C(=O)O[C@H](C(=O)[O-])c2ccccc2F)c1N ZINC000827134424 601117300 /nfs/dbraw/zinc/11/73/00/601117300.db2.gz ZHUBEZCBVOGKCC-INIZCTEOSA-N -1 0 331.343 3.514 20 0 EHADRM CCOc1ccc(CCC(=O)O[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000830071465 601117627 /nfs/dbraw/zinc/11/76/27/601117627.db2.gz XPVHPKNNBVONJF-SFHVURJKSA-N -1 0 346.354 3.526 20 0 EHADRM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000183962834 601125798 /nfs/dbraw/zinc/12/57/98/601125798.db2.gz QHTMNVYZVBSCRV-STQMWFEESA-N -1 0 343.345 3.555 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1C(F)(F)F ZINC000389950435 601126312 /nfs/dbraw/zinc/12/63/12/601126312.db2.gz NIAPWFGNCMFBQM-MNOVXSKESA-N -1 0 329.318 3.843 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2cccc(-c3cccs3)c2)CCC1 ZINC000649539168 601127140 /nfs/dbraw/zinc/12/71/40/601127140.db2.gz LRKNEQSZBCHEJQ-UHFFFAOYSA-N -1 0 330.409 3.934 20 0 EHADRM CCCn1ccc2cc(NC(=O)NC3(CC(=O)[O-])CCC3)ccc21 ZINC000649539608 601128429 /nfs/dbraw/zinc/12/84/29/601128429.db2.gz AHFLRJHFGQXVSR-UHFFFAOYSA-N -1 0 329.400 3.570 20 0 EHADRM CCS[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000830156933 601128697 /nfs/dbraw/zinc/12/86/97/601128697.db2.gz AWFHYXMSCGEYBF-UONOGXRCSA-N -1 0 340.420 3.710 20 0 EHADRM CN(Cc1cc2ccccc2o1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000830810707 601130905 /nfs/dbraw/zinc/13/09/05/601130905.db2.gz HSHIHFUJHOEBBK-UHFFFAOYSA-N -1 0 338.363 3.724 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N2C[C@H]3CCCC[C@@H]3C2)cc1 ZINC000326488526 601131873 /nfs/dbraw/zinc/13/18/73/601131873.db2.gz PXOYCTZGCUGIPC-ZIAGYGMSSA-N -1 0 330.428 3.703 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)N[C@](C)(CC)CC(=O)[O-] ZINC000829014088 601133570 /nfs/dbraw/zinc/13/35/70/601133570.db2.gz BGFHINWFNFBBGY-HNAYVOBHSA-N -1 0 335.444 3.727 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c(F)cc1F ZINC000318053205 601135046 /nfs/dbraw/zinc/13/50/46/601135046.db2.gz TWDZTOIQHFZRNA-UHFFFAOYSA-N -1 0 325.698 3.877 20 0 EHADRM CCC(CC)c1cc(CNC(=O)Nc2ccc(C)c(C(=O)[O-])c2)on1 ZINC000828861563 601137698 /nfs/dbraw/zinc/13/76/98/601137698.db2.gz AXKFDLXNFSCPHR-UHFFFAOYSA-N -1 0 345.399 3.907 20 0 EHADRM CCn1nc(NC(=O)Nc2cccc(NC(=O)[O-])c2)cc1C1CC1 ZINC000830446119 601139109 /nfs/dbraw/zinc/13/91/09/601139109.db2.gz ZHQJOGBXEJKHJQ-UHFFFAOYSA-N -1 0 329.360 3.514 20 0 EHADRM O=C([O-])CN(C(=O)CCc1ccc(Cl)cc1)c1cccc(F)c1 ZINC000833244674 601143307 /nfs/dbraw/zinc/14/33/07/601143307.db2.gz GAZBQCIZJNPKEO-UHFFFAOYSA-N -1 0 335.762 3.530 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1ccc(C)c(C(=O)[O-])c1)c1nccs1 ZINC000828684986 601144919 /nfs/dbraw/zinc/14/49/19/601144919.db2.gz AUBWHOPBTLSSIH-MRXNPFEDSA-N -1 0 333.413 3.597 20 0 EHADRM O=C([O-])CN(C(=O)c1cc(Cl)sc1Cl)c1cccc(F)c1 ZINC000833245337 601145089 /nfs/dbraw/zinc/14/50/89/601145089.db2.gz IWDZZOLZUREPFK-UHFFFAOYSA-N -1 0 348.182 3.925 20 0 EHADRM Cc1ccc(CCCC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)s1 ZINC000237695772 601148564 /nfs/dbraw/zinc/14/85/64/601148564.db2.gz ARKDWQSGWQYKFA-INIZCTEOSA-N -1 0 331.437 3.711 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Oc2ccccc2Oc2ccccn2)C1 ZINC000833187930 601152515 /nfs/dbraw/zinc/15/25/15/601152515.db2.gz SYHRLUFRHVZGMR-UONOGXRCSA-N -1 0 341.363 3.670 20 0 EHADRM C[C@H](OC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(OC(F)F)cc1 ZINC000827825145 601157738 /nfs/dbraw/zinc/15/77/38/601157738.db2.gz DASATENSKGWIRM-WCFLWFBJSA-N -1 0 342.338 3.783 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cccc(C(F)(F)F)c2F)CCCCC1 ZINC000325411193 601160492 /nfs/dbraw/zinc/16/04/92/601160492.db2.gz SSHPMTKBHOXBHB-UHFFFAOYSA-N -1 0 347.308 3.752 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1ccc(-c2ccccc2)[nH]1)c1ccccc1 ZINC000178174222 601163696 /nfs/dbraw/zinc/16/36/96/601163696.db2.gz HNRUYHLTULFADV-KUHUBIRLSA-N -1 0 348.402 3.874 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1csc(C(C)(C)C)n1)c1ccccc1 ZINC000262548976 601166381 /nfs/dbraw/zinc/16/63/81/601166381.db2.gz UKAPVYVIGCHTAS-RISCZKNCSA-N -1 0 346.452 3.632 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1csc(C(C)(C)C)n1)c1ccccc1 ZINC000262548974 601166737 /nfs/dbraw/zinc/16/67/37/601166737.db2.gz UKAPVYVIGCHTAS-BXUZGUMPSA-N -1 0 346.452 3.632 20 0 EHADRM C[C@@H]1Sc2ccccc2N(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)[C@H]1C ZINC000828521275 601173860 /nfs/dbraw/zinc/17/38/60/601173860.db2.gz JUGLTPRNLJFZAQ-IGQOVBAYSA-N -1 0 333.453 3.793 20 0 EHADRM CCO[C@@H](CCNC(=O)Nc1ccc(NC(=O)[O-])cc1)C1CCCC1 ZINC000829919127 601176397 /nfs/dbraw/zinc/17/63/97/601176397.db2.gz WHAPSDTVXCEENW-INIZCTEOSA-N -1 0 349.431 3.883 20 0 EHADRM Cc1ccc(-c2nc(COC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)co2)cc1 ZINC000832908101 601184877 /nfs/dbraw/zinc/18/48/77/601184877.db2.gz FRWRGOJJXGLBSD-CABCVRRESA-N -1 0 343.379 3.584 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)OCc2csc(C3CCCC3)n2)C1 ZINC000833187455 601185943 /nfs/dbraw/zinc/18/59/43/601185943.db2.gz KGNUPLURKBAMJV-QWHCGFSZSA-N -1 0 337.441 3.735 20 0 EHADRM O=C([O-])CC1(NC(=O)/C=C\c2ccnc3ccccc23)CCCCC1 ZINC000761649625 601186767 /nfs/dbraw/zinc/18/67/67/601186767.db2.gz YVBHAJWTMRHIRQ-HJWRWDBZSA-N -1 0 338.407 3.542 20 0 EHADRM CCS[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000318867399 601193100 /nfs/dbraw/zinc/19/31/00/601193100.db2.gz POYKKPPAPLSLAG-CHWSQXEVSA-N -1 0 342.848 3.834 20 0 EHADRM CCO[C@H](C)c1nc(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cs1 ZINC000829902021 601203207 /nfs/dbraw/zinc/20/32/07/601203207.db2.gz XJIOERQMCQEXRC-IOASZLSFSA-N -1 0 348.468 3.792 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)O[C@@H](c2ccccc2)c2ccncc2)C1 ZINC000833189000 601237907 /nfs/dbraw/zinc/23/79/07/601237907.db2.gz POHAZJSSRHAHLK-KURKYZTESA-N -1 0 339.391 3.605 20 0 EHADRM CN(C(=O)c1ccnc(C(=O)[O-])c1)c1ccc(Oc2ccccc2)cc1 ZINC000237090469 601244784 /nfs/dbraw/zinc/24/47/84/601244784.db2.gz WHGKJWLFIYRYIC-UHFFFAOYSA-N -1 0 348.358 3.849 20 0 EHADRM C[C@@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1cccc(Cl)c1Cl ZINC000237582237 601246792 /nfs/dbraw/zinc/24/67/92/601246792.db2.gz KODWTOLNFJHFLT-MRVPVSSYSA-N -1 0 339.178 3.578 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Nc1ccc(F)cc1F)c1ccccc1 ZINC000826039161 601247046 /nfs/dbraw/zinc/24/70/46/601247046.db2.gz OGQTUEXBKBUMSM-BMIGLBTASA-N -1 0 334.322 3.548 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2c(-c3ccco3)nc3ccccn32)c1 ZINC000821549475 601270640 /nfs/dbraw/zinc/27/06/40/601270640.db2.gz HDPXLTVYVUKJQG-UHFFFAOYSA-N -1 0 347.330 3.545 20 0 EHADRM CCC1CCC(NC(=O)C[C@@H](C)c2ccccc2OC)(C(=O)[O-])CC1 ZINC000346001847 601274870 /nfs/dbraw/zinc/27/48/70/601274870.db2.gz WFEIIKAOGSYVHT-ZUIJCZDSSA-N -1 0 347.455 3.729 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000666361570 601276508 /nfs/dbraw/zinc/27/65/08/601276508.db2.gz BWFHZPKQCXTAOH-LSDHHAIUSA-N -1 0 347.436 3.546 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000829015119 601280169 /nfs/dbraw/zinc/28/01/69/601280169.db2.gz XWHFPKINGHFBJT-HNNXBMFYSA-N -1 0 328.368 3.881 20 0 EHADRM C[C@@H](CN(C)C(=O)c1cc(C2CC2)nc2ccc(Cl)cc21)C(=O)[O-] ZINC000190940528 601284202 /nfs/dbraw/zinc/28/42/02/601284202.db2.gz DCDRRXDOKRJUDD-JTQLQIEISA-N -1 0 346.814 3.558 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000776619914 601286073 /nfs/dbraw/zinc/28/60/73/601286073.db2.gz AHIJPOPSSHWGJF-MUSGIIIZSA-N -1 0 327.355 3.513 20 0 EHADRM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2ccnc(C(=O)[O-])c2)cc1 ZINC000439789647 601289711 /nfs/dbraw/zinc/28/97/11/601289711.db2.gz FIRKMCIMFYSQRS-KBXCAEBGSA-N -1 0 338.407 3.702 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1c(Cl)cccc1Cl)c1ccccc1 ZINC000315627478 601290442 /nfs/dbraw/zinc/29/04/42/601290442.db2.gz UJBXJTYWHAYUES-NSHDSACASA-N -1 0 338.190 3.592 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CC2(CCCC2)c2ccccc21 ZINC000826792697 601291989 /nfs/dbraw/zinc/29/19/89/601291989.db2.gz DJLWYXFOUJCDNB-HNNXBMFYSA-N -1 0 330.428 3.527 20 0 EHADRM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)Nc1ccccc1C(=O)[O-] ZINC000828150948 601293935 /nfs/dbraw/zinc/29/39/35/601293935.db2.gz SFZHRTWFUHBZRJ-HOCLYGCPSA-N -1 0 338.407 3.870 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)NCCCCC(=O)[O-] ZINC000666559453 601303013 /nfs/dbraw/zinc/30/30/13/601303013.db2.gz VSRNOPPPSRVTLK-STQMWFEESA-N -1 0 340.851 3.728 20 0 EHADRM CSCc1cc(C(=O)OCc2cc(C)c(C(=O)[O-])o2)ccc1F ZINC000832766565 601303628 /nfs/dbraw/zinc/30/36/28/601303628.db2.gz FOZMEFNVQRBYCL-UHFFFAOYSA-N -1 0 338.356 3.645 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cccc(-c2nc(C)cs2)c1 ZINC000262049906 601305868 /nfs/dbraw/zinc/30/58/68/601305868.db2.gz FKYSMOCOPPGAGQ-UHFFFAOYSA-N -1 0 346.452 3.882 20 0 EHADRM Cc1ccc(C)c(OCCCCC(=O)Nc2cc(C(=O)[O-])n(C)c2)c1 ZINC000832926556 601311046 /nfs/dbraw/zinc/31/10/46/601311046.db2.gz SHYPPJAKNRXGJC-UHFFFAOYSA-N -1 0 344.411 3.528 20 0 EHADRM O=C([O-])C1CCC(NC(=O)Nc2cc(-c3ccccc3)ns2)CC1 ZINC000262972015 601313066 /nfs/dbraw/zinc/31/30/66/601313066.db2.gz APWXZZQLAZQFLU-UHFFFAOYSA-N -1 0 345.424 3.575 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1 ZINC000827117703 601316378 /nfs/dbraw/zinc/31/63/78/601316378.db2.gz HQKFMRKFTHYPPL-JKSUJKDBSA-N -1 0 326.396 3.589 20 0 EHADRM C[C@H](C(=O)Nc1cc(C(=O)[O-])n(C)c1)c1c(Cl)cccc1Cl ZINC000826014810 601317904 /nfs/dbraw/zinc/31/79/04/601317904.db2.gz WFORIMUIXHAIPZ-QMMMGPOBSA-N -1 0 341.194 3.772 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000828201943 601336608 /nfs/dbraw/zinc/33/66/08/601336608.db2.gz XZNUDGCCUBBBIF-UNEWFSDZSA-N -1 0 330.428 3.889 20 0 EHADRM O=C([O-])c1cccc(OCc2noc(-c3cc4c(s3)CCC4)n2)c1 ZINC000833333343 601364798 /nfs/dbraw/zinc/36/47/98/601364798.db2.gz WAGJXICHNHAGAX-UHFFFAOYSA-N -1 0 342.376 3.564 20 0 EHADRM Cc1ccc(-c2nnc(COc3ccccc3NC(=O)[O-])o2)cc1 ZINC000832907678 601368151 /nfs/dbraw/zinc/36/81/51/601368151.db2.gz GOPJHLSVVDXRQB-UHFFFAOYSA-N -1 0 325.324 3.714 20 0 EHADRM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000828234228 601381810 /nfs/dbraw/zinc/38/18/10/601381810.db2.gz WLHUCKGDMDJGOW-VIKVFOODSA-N -1 0 333.432 3.743 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1cc(NC(C)=O)ccc1Cl ZINC000830379365 601391365 /nfs/dbraw/zinc/39/13/65/601391365.db2.gz SUEIPUALINSUCZ-UHFFFAOYSA-N -1 0 336.775 3.764 20 0 EHADRM Cc1cc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c(C)n1C(C)C ZINC000236709109 601394187 /nfs/dbraw/zinc/39/41/87/601394187.db2.gz KUDBRLXSENYJCJ-KDOFPFPSSA-N -1 0 342.439 3.878 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Nc2cc(OC)ccc2C(=O)[O-])cc1 ZINC000832220963 601403893 /nfs/dbraw/zinc/40/38/93/601403893.db2.gz NRWWRQUADOSZLI-LBPRGKRZSA-N -1 0 343.379 3.534 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CSc1n[nH]c(-c2ccccc2F)n1 ZINC000830398990 601405323 /nfs/dbraw/zinc/40/53/23/601405323.db2.gz ZISCUJHOKXTBFJ-UHFFFAOYSA-N -1 0 347.371 3.757 20 0 EHADRM Cc1nc(CCCC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cs1 ZINC000832999264 601406807 /nfs/dbraw/zinc/40/68/07/601406807.db2.gz RYJDMDZNFGSQII-UHFFFAOYSA-N -1 0 347.440 3.523 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000563722697 601415560 /nfs/dbraw/zinc/41/55/60/601415560.db2.gz KBNAJOFCXDJTNG-SCLBCKFNSA-N -1 0 329.396 3.502 20 0 EHADRM C/C(=C\COC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)C(=O)[O-] ZINC000825769201 601416202 /nfs/dbraw/zinc/41/62/02/601416202.db2.gz KOMLMPDGUVFDGR-QPJJXVBHSA-N -1 0 328.151 3.662 20 0 EHADRM CCN(Cc1ccccc1Cl)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000829728226 601420437 /nfs/dbraw/zinc/42/04/37/601420437.db2.gz WYOVDCVCFOMRLQ-UHFFFAOYSA-N -1 0 338.835 3.517 20 0 EHADRM CCO[C@H]1C[C@H](NC(=O)c2ccc(NC(=O)[O-])cc2)C12CCCCC2 ZINC000829931617 601438713 /nfs/dbraw/zinc/43/87/13/601438713.db2.gz RFZLKXGEVFWUPD-HOTGVXAUSA-N -1 0 346.427 3.634 20 0 EHADRM CC1(C(=O)Nc2nc(-c3ccccc3)c(CC(=O)[O-])s2)CCC1 ZINC000827976625 601446984 /nfs/dbraw/zinc/44/69/84/601446984.db2.gz UPFJCBVZQCMKDX-UHFFFAOYSA-N -1 0 330.409 3.566 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)cc1 ZINC000833290810 601449636 /nfs/dbraw/zinc/44/96/36/601449636.db2.gz WEKJSHHUYBEWSO-UHFFFAOYSA-N -1 0 328.221 3.585 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000776629269 601457815 /nfs/dbraw/zinc/45/78/15/601457815.db2.gz XTMXAPOHXYLXDB-SQGPQFPESA-N -1 0 325.408 3.703 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000767052181 601460456 /nfs/dbraw/zinc/46/04/56/601460456.db2.gz OZIBRRZKUGUYOT-RFAUZJTJSA-N -1 0 332.227 3.857 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)Cc1ccccc1OC(C)C ZINC000830389734 601464238 /nfs/dbraw/zinc/46/42/38/601464238.db2.gz TXYQSDBOUKHJDY-UHFFFAOYSA-N -1 0 346.379 3.613 20 0 EHADRM C[C@@H](OC(=O)c1ncoc1-c1ccccc1)c1ccc(C(=O)[O-])o1 ZINC000827873856 601465723 /nfs/dbraw/zinc/46/57/23/601465723.db2.gz RDNXFBGWHOGHEJ-SNVBAGLBSA-N -1 0 327.292 3.551 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000767050393 601470179 /nfs/dbraw/zinc/47/01/79/601470179.db2.gz BZWAAHUQXOEGIM-XMZIXOGTSA-N -1 0 344.238 3.857 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)CCC1 ZINC000393049357 601476461 /nfs/dbraw/zinc/47/64/61/601476461.db2.gz NRWHMOBQFDSEHX-UHFFFAOYSA-N -1 0 336.391 3.777 20 0 EHADRM COc1cccc([C@H](C)CC(=O)OCc2ccc(F)cc2C(=O)[O-])c1 ZINC000832532526 601484088 /nfs/dbraw/zinc/48/40/88/601484088.db2.gz BNLMLEZPHVUUGJ-GFCCVEGCSA-N -1 0 346.354 3.770 20 0 EHADRM Cc1ccc(/C=C/CC(=O)NCCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000832930649 601503283 /nfs/dbraw/zinc/50/32/83/601503283.db2.gz YXKHNDOTEAFORZ-NSCUHMNNSA-N -1 0 338.407 3.847 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)Nc1ncc(C(=O)[O-])s1 ZINC000826616729 601504663 /nfs/dbraw/zinc/50/46/63/601504663.db2.gz XYZHCTUODUQNIC-UHFFFAOYSA-N -1 0 338.816 3.702 20 0 EHADRM CCCCN(C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1)[C@@H](C)CC ZINC000829373291 601533538 /nfs/dbraw/zinc/53/35/38/601533538.db2.gz PMWCISBZMZHCJG-HNNXBMFYSA-N -1 0 335.444 3.808 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccccc1SCc1ccco1)C1CC1 ZINC000833200652 601541387 /nfs/dbraw/zinc/54/13/87/601541387.db2.gz XBJQKZZKHVBHTJ-HNNXBMFYSA-N -1 0 345.420 3.555 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1Cc1ncc(-c2ccccc2)o1 ZINC000326709155 601545130 /nfs/dbraw/zinc/54/51/30/601545130.db2.gz WUQAQVVYBXKRTE-IBGZPJMESA-N -1 0 334.375 3.526 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000776650846 601585972 /nfs/dbraw/zinc/58/59/72/601585972.db2.gz NCZKZDOTHIRWPB-BZNIZROVSA-N -1 0 349.789 3.600 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc(SCc2ccccc2)cc1)C1CC1 ZINC000262101877 601596574 /nfs/dbraw/zinc/59/65/74/601596574.db2.gz FMCVAVUPSHYKBL-QGZVFWFLSA-N -1 0 341.432 3.572 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc(-c2ccccc2)ccc1Cl)C1CC1 ZINC000346017465 601596929 /nfs/dbraw/zinc/59/69/29/601596929.db2.gz AFXRDSKQFQMVDW-MRXNPFEDSA-N -1 0 329.783 3.600 20 0 EHADRM COC(=O)c1cc(NCc2ccc3ccccc3c2)cc(C(=O)[O-])c1 ZINC000831323132 601598055 /nfs/dbraw/zinc/59/80/55/601598055.db2.gz SMSBAUZOCWFGCG-UHFFFAOYSA-N -1 0 335.359 3.937 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1F ZINC000832946906 601615214 /nfs/dbraw/zinc/61/52/14/601615214.db2.gz LNWSCMSXRVJGQH-MLGOLLRUSA-N -1 0 330.359 3.718 20 0 EHADRM Cc1cccc(Oc2ccccc2NC(=O)NC[C@@H](C)C(=O)[O-])c1 ZINC000832974757 601615956 /nfs/dbraw/zinc/61/59/56/601615956.db2.gz LYKPCZJSPAUOPP-CYBMUJFWSA-N -1 0 328.368 3.630 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000829532485 601619829 /nfs/dbraw/zinc/61/98/29/601619829.db2.gz MVWJCMSSAHCBKB-GFCCVEGCSA-N -1 0 340.807 3.504 20 0 EHADRM Cc1ccccc1-n1cnnc1SCc1ccc(C(=O)[O-])c(F)c1 ZINC000832976531 601622257 /nfs/dbraw/zinc/62/22/57/601622257.db2.gz PWJLVXIWFVDOQF-UHFFFAOYSA-N -1 0 343.383 3.705 20 0 EHADRM Cc1ccc([C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)o1 ZINC000832922561 601622414 /nfs/dbraw/zinc/62/24/14/601622414.db2.gz BPVQBKIMMVRCRO-RISCZKNCSA-N -1 0 335.787 3.677 20 0 EHADRM O=C([O-])c1ccc(CN[C@@H](c2nccs2)c2ccccc2)cc1F ZINC000833315270 601624921 /nfs/dbraw/zinc/62/49/21/601624921.db2.gz ZHBDRAKEMRLLFW-MRXNPFEDSA-N -1 0 342.395 3.860 20 0 EHADRM Cc1c(F)cccc1NC(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832854482 601627736 /nfs/dbraw/zinc/62/77/36/601627736.db2.gz KORXZMUVCBUVGF-LRDDRELGSA-N -1 0 330.359 3.718 20 0 EHADRM C[C@H](C(=O)N1CCCC[C@@H]1C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000262532191 601628716 /nfs/dbraw/zinc/62/87/16/601628716.db2.gz IQGUFLKXNLYPPJ-TVQRCGJNSA-N -1 0 330.211 3.563 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCCC[C@H]2[C@@H]2CCCCC2=O)cc1 ZINC000821543233 601629965 /nfs/dbraw/zinc/62/99/65/601629965.db2.gz HBZOQRCYTVBSNL-IRXDYDNUSA-N -1 0 343.423 3.529 20 0 EHADRM Cc1cccc(C)c1NCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000832966163 601634890 /nfs/dbraw/zinc/63/48/90/601634890.db2.gz ZNYPVQJXCYPUAW-UHFFFAOYSA-N -1 0 344.436 3.602 20 0 EHADRM CCCCC[C@H](NC(=O)CCc1c[nH]c2cc(C)ccc12)C(=O)[O-] ZINC000829320952 601639316 /nfs/dbraw/zinc/63/93/16/601639316.db2.gz KHOOVOBNECDTFZ-INIZCTEOSA-N -1 0 330.428 3.559 20 0 EHADRM CC(C)C[C@@H](C)OCCC(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000826763922 601650485 /nfs/dbraw/zinc/65/04/85/601650485.db2.gz LNOXXVYCLROZDS-LLVKDONJSA-N -1 0 327.808 3.818 20 0 EHADRM O=C([O-])CCCCNC(=O)N[C@H](c1ccccc1F)C1CCCC1 ZINC000666533988 601653904 /nfs/dbraw/zinc/65/39/04/601653904.db2.gz DXJMVLHYAMCPHR-KRWDZBQOSA-N -1 0 336.407 3.611 20 0 EHADRM Cc1nc(-c2cccs2)sc1C(=O)NCCCCCC(=O)[O-] ZINC000237726269 601659104 /nfs/dbraw/zinc/65/91/04/601659104.db2.gz IDZONDLBEUPZHC-UHFFFAOYSA-N -1 0 338.454 3.555 20 0 EHADRM CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C(=O)[O-])s2)C1(C)C ZINC000236848892 601663669 /nfs/dbraw/zinc/66/36/69/601663669.db2.gz MAXJNFNKNJEIJB-ZIAGYGMSSA-N -1 0 339.457 3.502 20 0 EHADRM Cc1nc(CC(C)C)c(C(=O)Oc2ccc(NC(=O)[O-])cc2)s1 ZINC000832998657 601667402 /nfs/dbraw/zinc/66/74/02/601667402.db2.gz LZEGYYZLWCCDHG-UHFFFAOYSA-N -1 0 334.397 3.959 20 0 EHADRM C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1sccc1C(=O)[O-] ZINC000827581764 601670972 /nfs/dbraw/zinc/67/09/72/601670972.db2.gz RFIZQWGAOZEBOJ-VIFPVBQESA-N -1 0 339.413 3.952 20 0 EHADRM CC[C@H](NC(=O)c1ccc(SCc2ccccc2)cc1)C(=O)[O-] ZINC000237061083 601676079 /nfs/dbraw/zinc/67/60/79/601676079.db2.gz WWZRIQFTQJRLBS-INIZCTEOSA-N -1 0 329.421 3.572 20 0 EHADRM C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000237491336 601683662 /nfs/dbraw/zinc/68/36/62/601683662.db2.gz DTLULKPOLBEJJG-LBPRGKRZSA-N -1 0 347.411 3.820 20 0 EHADRM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCC(C)(C)C(=O)[O-] ZINC000829718996 601685218 /nfs/dbraw/zinc/68/52/18/601685218.db2.gz VDVFYLGKOVFYIM-UHFFFAOYSA-N -1 0 347.242 3.636 20 0 EHADRM Cn1cc(NC(=O)CCCc2csc3ccccc23)cc1C(=O)[O-] ZINC000833045595 601685284 /nfs/dbraw/zinc/68/52/84/601685284.db2.gz NLNQNDZWSDDARR-UHFFFAOYSA-N -1 0 342.420 3.899 20 0 EHADRM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)NCC(C)(C)C(=O)[O-] ZINC000827940623 601686817 /nfs/dbraw/zinc/68/68/17/601686817.db2.gz HSDZAVZWUKTHEQ-JTQLQIEISA-N -1 0 346.349 3.519 20 0 EHADRM CC(C)c1ccc(NC(=O)N2CC[C@](F)(C(=O)[O-])C2)c(C(C)C)c1 ZINC000827124558 601689937 /nfs/dbraw/zinc/68/99/37/601689937.db2.gz PLEKZCNEVFWARJ-GOSISDBHSA-N -1 0 336.407 3.964 20 0 EHADRM Cc1cc(C(=O)N2C[C@H](C)[C@H](C(=O)[O-])C2)sc1-c1ccc(F)cc1 ZINC000832860524 601707153 /nfs/dbraw/zinc/70/71/53/601707153.db2.gz GDLLNBARUPQSNI-SMDDNHRTSA-N -1 0 347.411 3.655 20 0 EHADRM Cc1cc(C(=O)N2C[C@H](C)[C@@H](C(=O)[O-])C2)sc1-c1ccc(F)cc1 ZINC000832860522 601707205 /nfs/dbraw/zinc/70/72/05/601707205.db2.gz GDLLNBARUPQSNI-FZMZJTMJSA-N -1 0 347.411 3.655 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2ccc(F)cc2C(F)(F)F)CCCC1 ZINC000833135692 601708889 /nfs/dbraw/zinc/70/88/89/601708889.db2.gz HFUXYKJPHGTASY-UHFFFAOYSA-N -1 0 348.296 3.611 20 0 EHADRM O=C([O-])[C@]1(F)CCN(C(=O)c2cc3sc4ccccc4c3s2)C1 ZINC000262875186 601713323 /nfs/dbraw/zinc/71/33/23/601713323.db2.gz YDSRAVNFEXIRDY-INIZCTEOSA-N -1 0 349.408 3.755 20 0 EHADRM CC1(CNC(=O)Nc2cccc(CSCCC(=O)[O-])c2)CCC1 ZINC000828101956 601718517 /nfs/dbraw/zinc/71/85/17/601718517.db2.gz BDDZHIRGRMTGJM-UHFFFAOYSA-N -1 0 336.457 3.706 20 0 EHADRM Cc1cccc(C2(C(=O)OCc3ccc(C(=O)[O-])c(F)c3)CC2)c1 ZINC000832964825 601725181 /nfs/dbraw/zinc/72/51/81/601725181.db2.gz BTFYVEHAOGTKGA-UHFFFAOYSA-N -1 0 328.339 3.607 20 0 EHADRM O=C([O-])[C@H](NC(=O)C[C@H]1CCCc2ccccc21)c1ccccc1F ZINC000678986259 601740579 /nfs/dbraw/zinc/74/05/79/601740579.db2.gz PXDDXHHMVWSCSI-AUUYWEPGSA-N -1 0 341.382 3.578 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC000678986632 601743613 /nfs/dbraw/zinc/74/36/13/601743613.db2.gz QOVKTVSUMGBXRJ-UGSOOPFHSA-N -1 0 329.371 3.570 20 0 EHADRM O=C([O-])CCCc1csc(NC(=O)c2coc3ccccc32)n1 ZINC000390900901 601743854 /nfs/dbraw/zinc/74/38/54/601743854.db2.gz QPIXUCHHDPBKAJ-UHFFFAOYSA-N -1 0 330.365 3.549 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC000678988817 601744751 /nfs/dbraw/zinc/74/47/51/601744751.db2.gz YOFZRRWUJOMPHH-OAHLLOKOSA-N -1 0 345.301 3.575 20 0 EHADRM CCOc1cc(C(=O)Nc2nc(CCCC(=O)[O-])cs2)ccc1C ZINC000830038268 601745838 /nfs/dbraw/zinc/74/58/38/601745838.db2.gz OERADEMQWWGXRN-UHFFFAOYSA-N -1 0 348.424 3.510 20 0 EHADRM CC(C)[C@H](C(=O)Nc1nc(CCCC(=O)[O-])cs1)c1ccccc1 ZINC000826676704 601748458 /nfs/dbraw/zinc/74/84/58/601748458.db2.gz JXIUOJYTIXZFRL-INIZCTEOSA-N -1 0 346.452 3.929 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000128668028 601799725 /nfs/dbraw/zinc/79/97/25/601799725.db2.gz GQBCROBFPYEERG-ZDUSSCGKSA-N -1 0 327.380 3.834 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2nc(CCCC(=O)[O-])cs2)c(O)c1 ZINC000827118312 601801942 /nfs/dbraw/zinc/80/19/42/601801942.db2.gz RCLDAADHQDIDHB-UHFFFAOYSA-N -1 0 348.424 3.632 20 0 EHADRM COc1ccc(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])c(C)c1 ZINC000738091659 601806443 /nfs/dbraw/zinc/80/64/43/601806443.db2.gz AUVVQSLMPXBTRJ-UHFFFAOYSA-N -1 0 331.393 3.893 20 0 EHADRM C[C@@H](Oc1ccccc1F)C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000827902847 601808059 /nfs/dbraw/zinc/80/80/59/601808059.db2.gz VJBOMHLSZJTWHE-SECBINFHSA-N -1 0 349.383 3.869 20 0 EHADRM O=C([O-])c1c(C2CC2)csc1NC(=O)COCCc1ccccc1 ZINC000833114659 601808359 /nfs/dbraw/zinc/80/83/59/601808359.db2.gz QNPXAUJQVXCLKZ-UHFFFAOYSA-N -1 0 345.420 3.522 20 0 EHADRM C[C@@H](c1ccccc1)n1cnnc1SCc1ccsc1C(=O)[O-] ZINC000827949250 601809582 /nfs/dbraw/zinc/80/95/82/601809582.db2.gz JHCVVEYFOSYMSP-NSHDSACASA-N -1 0 345.449 3.939 20 0 EHADRM C[C@@H](Oc1cccc(F)c1)C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000827894925 601809666 /nfs/dbraw/zinc/80/96/66/601809666.db2.gz CPKUMWOIIUONFT-SECBINFHSA-N -1 0 349.383 3.869 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2cnccc2-c2cccc(F)c2)C1 ZINC000833188209 601810509 /nfs/dbraw/zinc/81/05/09/601810509.db2.gz WBEHVBKCPMHRST-UONOGXRCSA-N -1 0 342.370 3.717 20 0 EHADRM CC(C)CCc1noc(CSCc2ccc(C(=O)[O-])c(F)c2)n1 ZINC000826864905 601812969 /nfs/dbraw/zinc/81/29/69/601812969.db2.gz AZZXTDQRAKWMMB-UHFFFAOYSA-N -1 0 338.404 3.929 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2sccc2SC(F)F)CC1 ZINC000777372097 601820131 /nfs/dbraw/zinc/82/01/31/601820131.db2.gz BPVHXCURHDUCDH-UHFFFAOYSA-N -1 0 349.424 3.780 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2ccc(Cl)c3cccnc23)CC1 ZINC000566539540 601820659 /nfs/dbraw/zinc/82/06/59/601820659.db2.gz VXVNUJXQVOAXCA-UHFFFAOYSA-N -1 0 346.814 3.605 20 0 EHADRM CC(C)c1ccc(CCNC(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000659393117 601822941 /nfs/dbraw/zinc/82/29/41/601822941.db2.gz QZJNYOUUURRMBP-UHFFFAOYSA-N -1 0 346.471 3.639 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)N[C@@H]2CCSc3ccccc32)CC1 ZINC000659392896 601822962 /nfs/dbraw/zinc/82/29/62/601822962.db2.gz MVONPRQEFZRLTA-OAHLLOKOSA-N -1 0 348.468 3.510 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)CCCCCc2ccc(O)cc2)CC1 ZINC000833223684 601823446 /nfs/dbraw/zinc/82/34/46/601823446.db2.gz MRIIFXCYGWLKNK-UHFFFAOYSA-N -1 0 347.455 3.599 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)N2CCC(CCC(=O)[O-])CC2)cc1C ZINC000659405662 601826197 /nfs/dbraw/zinc/82/61/97/601826197.db2.gz KFNJGUFQYLNKIO-OAHLLOKOSA-N -1 0 332.444 3.651 20 0 EHADRM COc1cccc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000163120891 601827649 /nfs/dbraw/zinc/82/76/49/601827649.db2.gz NLBNYOQMJKNJHN-UHFFFAOYSA-N -1 0 337.169 3.735 20 0 EHADRM O=C([O-])CCC1CCN(Cc2nc3ccccc3n2C(F)F)CC1 ZINC000580719765 601844274 /nfs/dbraw/zinc/84/42/74/601844274.db2.gz ONJUPACTEDZBTK-UHFFFAOYSA-N -1 0 337.370 3.508 20 0 EHADRM Cc1ccc(-c2cncc(C(=O)N3CCCC[C@@H]3CC(=O)[O-])c2)cc1 ZINC000653320294 601849255 /nfs/dbraw/zinc/84/92/55/601849255.db2.gz JIGGLGRERRNADF-GOSISDBHSA-N -1 0 338.407 3.526 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)NCc2cccc(C(=O)[O-])c2)c(C)s1 ZINC000320773601 601849711 /nfs/dbraw/zinc/84/97/11/601849711.db2.gz GZJNBBXHFLSLPI-LLVKDONJSA-N -1 0 332.425 3.624 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)c2cccc3cnccc32)cc1 ZINC000833263944 601871228 /nfs/dbraw/zinc/87/12/28/601871228.db2.gz BEDWQEHCHPPDKG-UHFFFAOYSA-N -1 0 339.372 3.631 20 0 EHADRM C[C@H](CC(=O)Oc1ccc(SCC(=O)[O-])cc1)c1ccccc1 ZINC000827392304 601871560 /nfs/dbraw/zinc/87/15/60/601871560.db2.gz XGGFRZJUJGFMJA-CYBMUJFWSA-N -1 0 330.405 3.963 20 0 EHADRM O=C([O-])NC1CCC(C(=O)N2CCCCC[C@H]2c2ccccc2)CC1 ZINC000740550927 601871760 /nfs/dbraw/zinc/87/17/60/601871760.db2.gz CIPWFDJPEWELMY-ABHNRTSZSA-N -1 0 344.455 3.957 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC000829009870 601873311 /nfs/dbraw/zinc/87/33/11/601873311.db2.gz UBIZLIFHIJWCCZ-HNNXBMFYSA-N -1 0 338.425 3.507 20 0 EHADRM O=C([O-])NC1CCC(C(=O)Nc2cccc(-c3nccs3)c2)CC1 ZINC000740558445 601874368 /nfs/dbraw/zinc/87/43/68/601874368.db2.gz WCJZTIJVAUEKSO-UHFFFAOYSA-N -1 0 345.424 3.575 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)c1cccc(F)c1Cl ZINC000262142746 601902924 /nfs/dbraw/zinc/90/29/24/601902924.db2.gz SFIKTZKLQDSEQR-ZWNOBZJWSA-N -1 0 327.783 3.633 20 0 EHADRM CC(C)Oc1cccc(CC(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])c1 ZINC000537410737 601903972 /nfs/dbraw/zinc/90/39/72/601903972.db2.gz IOCLSBMGIBRTOK-ZWKOTPCHSA-N -1 0 347.455 3.556 20 0 EHADRM CC(C)Oc1cccc(CC(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])c1 ZINC000537410732 601904038 /nfs/dbraw/zinc/90/40/38/601904038.db2.gz IOCLSBMGIBRTOK-ROUUACIJSA-N -1 0 347.455 3.556 20 0 EHADRM CC[C@@H](CC(=O)NCc1cccc(C(=O)[O-])c1)c1ccc(C)cc1 ZINC000532594669 601924148 /nfs/dbraw/zinc/92/41/48/601924148.db2.gz GAFWFNMGXMQIDA-INIZCTEOSA-N -1 0 325.408 3.893 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)CCCCCc2cccs2)c1 ZINC000532001533 601925126 /nfs/dbraw/zinc/92/51/26/601925126.db2.gz DGNXEPKYFZBRPX-UHFFFAOYSA-N -1 0 331.437 3.866 20 0 EHADRM C[C@@H](CSc1ccc(F)cc1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000537370292 601928402 /nfs/dbraw/zinc/92/84/02/601928402.db2.gz XLGKRTQERGSYJS-LBPRGKRZSA-N -1 0 347.411 3.569 20 0 EHADRM O=C([O-])[C@@H](OC(=O)/C=C\c1ccco1)c1cc(Cl)cc(Cl)c1 ZINC000833094452 601933378 /nfs/dbraw/zinc/93/33/78/601933378.db2.gz HYSFFIOGMMKDOV-NQHOJNORSA-N -1 0 341.146 3.969 20 0 EHADRM Cc1csc(-c2ccc(NC(=O)CCN(C(=O)[O-])C(C)C)cc2)n1 ZINC000740201177 601960939 /nfs/dbraw/zinc/96/09/39/601960939.db2.gz PXQBTTPQZLWGLU-UHFFFAOYSA-N -1 0 347.440 3.836 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000261607841 601982554 /nfs/dbraw/zinc/98/25/54/601982554.db2.gz CZSNYHXASIQPPL-IBGZPJMESA-N -1 0 340.379 3.807 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2ccc(F)cn2)cc(C(F)(F)F)c1 ZINC000833284231 601982732 /nfs/dbraw/zinc/98/27/32/601982732.db2.gz RLEGEXPMMAVERK-UHFFFAOYSA-N -1 0 343.236 3.582 20 0 EHADRM CCO[C@H]1C[C@H](N(C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C12CCC2 ZINC000829917053 601983061 /nfs/dbraw/zinc/98/30/61/601983061.db2.gz ARMMDEFHZHJSAA-HOTGVXAUSA-N -1 0 346.427 3.505 20 0 EHADRM O=C([O-])c1cccc(-c2nc(COC(=O)[C@@H]3CC34CCC4)cs2)c1 ZINC000833326408 601984117 /nfs/dbraw/zinc/98/41/17/601984117.db2.gz NFSSBJDVAARUHS-AWEZNQCLSA-N -1 0 343.404 3.742 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)Nc2ccccc2-c2cccs2)C1 ZINC000263455421 601985566 /nfs/dbraw/zinc/98/55/66/601985566.db2.gz BYCSCWUMBJPRPU-QGZVFWFLSA-N -1 0 330.409 3.744 20 0 EHADRM COc1cccc2c1CC[C@@H]2NC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000832577019 601988518 /nfs/dbraw/zinc/98/85/18/601988518.db2.gz BXUPHXKZRWIZSH-INIZCTEOSA-N -1 0 340.379 3.511 20 0 EHADRM CC[C@H](C)[C@H](C)NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000828707275 601989124 /nfs/dbraw/zinc/98/91/24/601989124.db2.gz FIFGITTXSJQHIK-IUCAKERBSA-N -1 0 332.322 3.960 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)C(F)(F)c2cccc(Cl)c2)cn1 ZINC000740706754 601992640 /nfs/dbraw/zinc/99/26/40/601992640.db2.gz XFLXCBQXVAJIRH-UHFFFAOYSA-N -1 0 341.701 3.555 20 0 EHADRM COc1cccc2c1CC[C@H]2NC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000832573126 601994814 /nfs/dbraw/zinc/99/48/14/601994814.db2.gz QPYZCEOIEZPEMS-MRXNPFEDSA-N -1 0 340.379 3.511 20 0 EHADRM O=C([O-])c1ccc(COC(=O)C2(c3ccc(Cl)cc3)CC2)s1 ZINC000833314321 601997347 /nfs/dbraw/zinc/99/73/47/601997347.db2.gz HKCZFRHDZZVCHP-UHFFFAOYSA-N -1 0 336.796 3.875 20 0 EHADRM Cc1nc2ccccc2cc1C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000833005787 601999674 /nfs/dbraw/zinc/99/96/74/601999674.db2.gz FXHQNHLAOUGXGL-UHFFFAOYSA-N -1 0 327.361 3.660 20 0 EHADRM C[C@@H]1CCC[C@H]1NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000828245864 602002137 /nfs/dbraw/zinc/00/21/37/602002137.db2.gz OIGVAIZHIGTPPC-PRHODGIISA-N -1 0 330.306 3.714 20 0 EHADRM O=C([O-])c1ccc(COC(=O)CCc2ccc(Cl)s2)s1 ZINC000833102534 602003961 /nfs/dbraw/zinc/00/39/61/602003961.db2.gz LGGMBUWVLQHXOP-UHFFFAOYSA-N -1 0 330.814 3.837 20 0 EHADRM CN(C(=O)C=C1CCCCC1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830464877 602011042 /nfs/dbraw/zinc/01/10/42/602011042.db2.gz NHBLCEILUVZAJU-MRXNPFEDSA-N -1 0 341.329 3.579 20 0 EHADRM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1C(=O)c1csc2ccccc12 ZINC000738998249 602015885 /nfs/dbraw/zinc/01/58/85/602015885.db2.gz CYTJDKLRIUHUEY-FZMZJTMJSA-N -1 0 332.425 3.552 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)C[C@H]1C ZINC000828384848 602021600 /nfs/dbraw/zinc/02/16/00/602021600.db2.gz CYHDSHGTDMFTLN-RKDXNWHRSA-N -1 0 330.306 3.523 20 0 EHADRM CSc1ccccc1NC(=O)N[C@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000832789614 602025941 /nfs/dbraw/zinc/02/59/41/602025941.db2.gz AZEQOVZRRBCNAS-OLZOCXBDSA-N -1 0 336.457 3.954 20 0 EHADRM CCC1(CNC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000829065448 602027817 /nfs/dbraw/zinc/02/78/17/602027817.db2.gz FYTKTJXSAXVQDF-UHFFFAOYSA-N -1 0 330.306 3.715 20 0 EHADRM CCOCc1cccc(NC(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])c1 ZINC000830022597 602037267 /nfs/dbraw/zinc/03/72/67/602037267.db2.gz WLOVZCRHSOSYLB-DLBZAZTESA-N -1 0 348.443 3.768 20 0 EHADRM CCc1ccc2nc(NC(=O)C3CCC(NC(=O)[O-])CC3)sc2c1 ZINC000739543077 602062501 /nfs/dbraw/zinc/06/25/01/602062501.db2.gz VZDJELFXGJQTTG-UHFFFAOYSA-N -1 0 347.440 3.624 20 0 EHADRM O=C([O-])c1ccc(OCc2ccccc2)c(NC(=O)c2cccnc2)c1 ZINC000833323989 602063972 /nfs/dbraw/zinc/06/39/72/602063972.db2.gz QARRPFXXXUQEGW-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)CSc2ccccc2Cl)c1 ZINC000238110013 602069382 /nfs/dbraw/zinc/06/93/82/602069382.db2.gz IQZQZFWBWRAQHY-UHFFFAOYSA-N -1 0 335.812 3.698 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)C2(c3ccccc3F)CCCC2)c1 ZINC000263179954 602074744 /nfs/dbraw/zinc/07/47/44/602074744.db2.gz VAVQSJVBUDXTDC-UHFFFAOYSA-N -1 0 341.382 3.903 20 0 EHADRM COc1ccccc1Oc1ccc(NC(=O)[C@@H](C)CC(=O)[O-])cc1 ZINC000832632657 602080359 /nfs/dbraw/zinc/08/03/59/602080359.db2.gz MYLQYHVHLQKYSJ-LBPRGKRZSA-N -1 0 329.352 3.537 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000827293161 602084530 /nfs/dbraw/zinc/08/45/30/602084530.db2.gz VTXZTUPMVKOIJO-PXGDHZSWSA-N -1 0 349.430 3.511 20 0 EHADRM C[C@H]1c2ccccc2CCN1C(=O)NCCCCCCCC(=O)[O-] ZINC000828527359 602094687 /nfs/dbraw/zinc/09/46/87/602094687.db2.gz JBRVCFJUDCEDOX-HNNXBMFYSA-N -1 0 332.444 3.741 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000827272311 602103917 /nfs/dbraw/zinc/10/39/17/602103917.db2.gz NQAKHPMXASZKCN-GTNSWQLSSA-N -1 0 349.789 3.796 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)COC/C=C\c1ccccc1 ZINC000833112475 602116172 /nfs/dbraw/zinc/11/61/72/602116172.db2.gz MVVLTZYKEFEAIE-DAXSKMNVSA-N -1 0 345.782 3.707 20 0 EHADRM O=C([O-])c1cc(NCc2nnc(-c3ccccc3Cl)o2)ccc1F ZINC000833300076 602127748 /nfs/dbraw/zinc/12/77/48/602127748.db2.gz JWQJGFIVWPTNDF-UHFFFAOYSA-N -1 0 347.733 3.839 20 0 EHADRM CSc1cc(C(=O)N2CCC[C@H](C(=O)[O-])C2)c(Cl)cc1Cl ZINC000128533569 602136763 /nfs/dbraw/zinc/13/67/63/602136763.db2.gz BPTXEEMUWZJOQJ-QMMMGPOBSA-N -1 0 348.251 3.652 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000263357814 602140166 /nfs/dbraw/zinc/14/01/66/602140166.db2.gz XOSQASZQGVEYNF-QZTJIDSGSA-N -1 0 347.455 3.837 20 0 EHADRM CC(C)[C@@H]1c2ccccc2CCN1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000666555433 602144827 /nfs/dbraw/zinc/14/48/27/602144827.db2.gz DVEDDYKZNFTXPG-LEOMRAHMSA-N -1 0 344.455 3.595 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000829009342 602152924 /nfs/dbraw/zinc/15/29/24/602152924.db2.gz BWHSLODPXPDVAV-KBXCAEBGSA-N -1 0 345.439 3.719 20 0 EHADRM Cc1cc2cc(NC(=O)NCC3(NC(=O)[O-])CCCCC3)ccc2[nH]1 ZINC000740097318 602157411 /nfs/dbraw/zinc/15/74/11/602157411.db2.gz RTVBZEJXWISPDS-UHFFFAOYSA-N -1 0 344.415 3.568 20 0 EHADRM CCS[C@@H](C)c1noc(COc2cc(Cl)ccc2C(=O)[O-])n1 ZINC000830151118 602159109 /nfs/dbraw/zinc/15/91/09/602159109.db2.gz VDSFQIKDNYKGFU-QMMMGPOBSA-N -1 0 342.804 3.814 20 0 EHADRM COc1cc(OC)cc([C@H](Nc2ccc(Cl)c(F)c2)C(=O)[O-])c1 ZINC000832067879 602167743 /nfs/dbraw/zinc/16/77/43/602167743.db2.gz SWMNSAFQIGCDGG-HNNXBMFYSA-N -1 0 339.750 3.734 20 0 EHADRM CCOc1ccccc1CCC(=O)Nc1ccccc1NC(=O)[O-] ZINC000739507027 602178352 /nfs/dbraw/zinc/17/83/52/602178352.db2.gz QQOBLTSZCCZUFG-UHFFFAOYSA-N -1 0 328.368 3.747 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000832958977 602179515 /nfs/dbraw/zinc/17/95/15/602179515.db2.gz YGQNPWKVMPILJK-UHFFFAOYSA-N -1 0 326.327 3.874 20 0 EHADRM Cc1ccc(F)c(OCC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000678980349 602183052 /nfs/dbraw/zinc/18/30/52/602183052.db2.gz XWOVXCGLSFNSAW-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM C/C=C(/C=C\C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1)CC ZINC000828542528 602184660 /nfs/dbraw/zinc/18/46/60/602184660.db2.gz LTXACALYFXJQSR-IQTRCOIWSA-N -1 0 338.407 3.663 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)c2ccc(-c3ccco3)s2)c1 ZINC000833262406 602186157 /nfs/dbraw/zinc/18/61/57/602186157.db2.gz UFOBVJWQCHSINX-UHFFFAOYSA-N -1 0 343.360 3.724 20 0 EHADRM O=C([O-])c1csc(NC(=O)CCCc2ccc(F)c(F)c2)c1 ZINC000191359395 602187941 /nfs/dbraw/zinc/18/79/41/602187941.db2.gz CAGGMGGJYMNOJM-UHFFFAOYSA-N -1 0 325.336 3.686 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)c2cc(F)c(F)cc2Cl)c1 ZINC000740680104 602203435 /nfs/dbraw/zinc/20/34/35/602203435.db2.gz KDQJKLRXPLRKFP-UHFFFAOYSA-N -1 0 340.713 3.638 20 0 EHADRM CC1(CNC(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)CCC1 ZINC000828102697 602227195 /nfs/dbraw/zinc/22/71/95/602227195.db2.gz VCMYEFZHDRSGIB-UHFFFAOYSA-N -1 0 342.395 3.615 20 0 EHADRM Cc1ccc(CNC(=O)[C@@H](C)CC(=O)[O-])c(O[C@H](C)CC(C)C)c1 ZINC000832932167 602231565 /nfs/dbraw/zinc/23/15/65/602231565.db2.gz CGNUHTHLVGPASV-LSDHHAIUSA-N -1 0 335.444 3.535 20 0 EHADRM Cc1ccc(-c2cccc(CNC(=O)[C@H](NC(=O)[O-])C(C)C)c2)cc1 ZINC000832905598 602234007 /nfs/dbraw/zinc/23/40/07/602234007.db2.gz CXTBGUHUMLNSAU-GOSISDBHSA-N -1 0 340.423 3.570 20 0 EHADRM C[C@H](NC(=S)Nc1ccc2c(c1)CCN2C(=O)[O-])c1cccs1 ZINC000739029690 602235041 /nfs/dbraw/zinc/23/50/41/602235041.db2.gz GFMKBAGIPXYHCK-JTQLQIEISA-N -1 0 347.465 3.836 20 0 EHADRM C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000828528202 602238378 /nfs/dbraw/zinc/23/83/78/602238378.db2.gz SEPXFMWAMPTJIN-JTQLQIEISA-N -1 0 346.333 3.814 20 0 EHADRM CSc1ccc(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])cc1 ZINC000740015690 602241670 /nfs/dbraw/zinc/24/16/70/602241670.db2.gz GNULYIOCVJGDQB-UHFFFAOYSA-N -1 0 328.393 3.701 20 0 EHADRM Cc1ccc2cc(C(=O)N3CCN(C(=O)[O-])Cc4ccccc43)[nH]c2c1 ZINC000740153714 602251594 /nfs/dbraw/zinc/25/15/94/602251594.db2.gz MEWFVLRHAYQLNK-UHFFFAOYSA-N -1 0 349.390 3.617 20 0 EHADRM CCCCC[C@H](NC(=O)C1CCN(C(=O)[O-])CC1)c1ccccc1 ZINC000737811524 602252045 /nfs/dbraw/zinc/25/20/45/602252045.db2.gz ONYPTBBXARPTIV-KRWDZBQOSA-N -1 0 332.444 3.814 20 0 EHADRM Cc1ccc(CC(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)cc1 ZINC000237696060 602257825 /nfs/dbraw/zinc/25/78/25/602257825.db2.gz VIHQQYZJQLZNFM-UHFFFAOYSA-N -1 0 349.386 3.793 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2ccsc2)c2ccccc12 ZINC000237967712 602258275 /nfs/dbraw/zinc/25/82/75/602258275.db2.gz CURLWWOITHSWBO-UHFFFAOYSA-N -1 0 327.361 3.617 20 0 EHADRM COc1ccc(NC(=O)N(C)Cc2ccc(C)s2)cc1NC(=O)[O-] ZINC000739919997 602259768 /nfs/dbraw/zinc/25/97/68/602259768.db2.gz ADHRHRIRVNSGCL-UHFFFAOYSA-N -1 0 349.412 3.819 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cc(C(F)(F)F)ccc1F)c1ccccc1 ZINC000833349004 602263020 /nfs/dbraw/zinc/26/30/20/602263020.db2.gz ALNVTOJNKJPIJJ-CYBMUJFWSA-N -1 0 342.244 3.827 20 0 EHADRM CCOCCC1(CNC(=O)Nc2cccc(NC(=O)[O-])c2)CCCC1 ZINC000829994149 602276384 /nfs/dbraw/zinc/27/63/84/602276384.db2.gz GUTALNQENKLYCR-UHFFFAOYSA-N -1 0 349.431 3.885 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])s1 ZINC000740113985 602277160 /nfs/dbraw/zinc/27/71/60/602277160.db2.gz PPEXBYSQIKNQSH-LLVKDONJSA-N -1 0 345.424 3.980 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)N3CCC[C@H]3C3CCC3)ccc21 ZINC000740530513 602285722 /nfs/dbraw/zinc/28/57/22/602285722.db2.gz ZMFFCQKXAOATCK-HNNXBMFYSA-N -1 0 329.400 3.524 20 0 EHADRM O=C([O-])c1csc(NC(=O)NCc2ccc(F)c(Cl)c2)c1 ZINC000833145053 602290072 /nfs/dbraw/zinc/29/00/72/602290072.db2.gz BOXOJOTXSQERBI-UHFFFAOYSA-N -1 0 328.752 3.561 20 0 EHADRM CC(C)(CNC(=O)Cc1ccc(NC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000738749854 602294439 /nfs/dbraw/zinc/29/44/39/602294439.db2.gz FWRUSQDDAHIJPB-UHFFFAOYSA-N -1 0 344.386 3.552 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(Cl)c(C)c2)cc1 ZINC000685019119 602301976 /nfs/dbraw/zinc/30/19/76/602301976.db2.gz PVKBORPEWIYAPH-INIZCTEOSA-N -1 0 347.798 3.603 20 0 EHADRM Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)[C@@H](C)CC(=O)[O-] ZINC000832992588 602323620 /nfs/dbraw/zinc/32/36/20/602323620.db2.gz NKMYZUOOQJJKAU-AAEUAGOBSA-N -1 0 346.452 3.749 20 0 EHADRM O=C([O-])[C@@H](OC(=O)CC1CCSCC1)c1cccc(Cl)c1 ZINC000833097402 602343707 /nfs/dbraw/zinc/34/37/07/602343707.db2.gz MSPYJCKGLWBSGA-AWEZNQCLSA-N -1 0 328.817 3.542 20 0 EHADRM CC1(C)Cc2cc(NC(=O)CCc3ccc(C(=O)[O-])cc3)ccc2O1 ZINC000828078312 602346833 /nfs/dbraw/zinc/34/68/33/602346833.db2.gz HUMGPABYERCCMB-UHFFFAOYSA-N -1 0 339.391 3.670 20 0 EHADRM CC(C)C[C@H]1CCCN(C(=O)Nc2ccc(CNC(=O)[O-])cc2)C1 ZINC000826832133 602352228 /nfs/dbraw/zinc/35/22/28/602352228.db2.gz MNVJTWFRJOVFKA-OAHLLOKOSA-N -1 0 333.432 3.744 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCOc2ccccc2Cl)cc1F ZINC000323254202 602353501 /nfs/dbraw/zinc/35/35/01/602353501.db2.gz UNFNYKZSPSZIIC-UHFFFAOYSA-N -1 0 337.734 3.585 20 0 EHADRM Cn1cc(NC(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1C(=O)[O-] ZINC000833049381 602355345 /nfs/dbraw/zinc/35/53/45/602355345.db2.gz UIFCBEBTNGBFTD-OAHLLOKOSA-N -1 0 347.802 3.650 20 0 EHADRM CSc1ccc(O[C@H](C)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000767206160 602356366 /nfs/dbraw/zinc/35/63/66/602356366.db2.gz OLKDBPMWNGWFCC-SNVBAGLBSA-N -1 0 349.383 3.652 20 0 EHADRM Cc1ccc(NC(=O)C2CCC(NC(=O)[O-])CC2)cc1C(F)(F)F ZINC000740139363 602360415 /nfs/dbraw/zinc/36/04/15/602360415.db2.gz XDJSWVXYUSLZJQ-UHFFFAOYSA-N -1 0 344.333 3.779 20 0 EHADRM CC(C)C[C@H](NC(=O)Nc1cc(C(=O)[O-])n(C)c1)c1cccs1 ZINC000826793514 602363750 /nfs/dbraw/zinc/36/37/50/602363750.db2.gz NUKBAPBYQFECJE-LBPRGKRZSA-N -1 0 335.429 3.694 20 0 EHADRM Cc1ccc(Cl)c(NC(=O)NCCOc2ccc(C(=O)[O-])cc2)c1 ZINC000832934630 602367996 /nfs/dbraw/zinc/36/79/96/602367996.db2.gz HEZMKESEHHROAG-UHFFFAOYSA-N -1 0 348.786 3.547 20 0 EHADRM O=C([O-])NC1CCC(C(=O)Nc2ccc(Cl)c3cccnc23)CC1 ZINC000740557181 602368784 /nfs/dbraw/zinc/36/87/84/602368784.db2.gz JIVDFIVIOABZMQ-UHFFFAOYSA-N -1 0 347.802 3.653 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CC[C@H](c3ccc(F)cc3)C2)cc1F ZINC000833318752 602370895 /nfs/dbraw/zinc/37/08/95/602370895.db2.gz CXYPOOCUSZEXSN-LBPRGKRZSA-N -1 0 346.333 3.684 20 0 EHADRM CCOc1cccc([C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000830100260 602377298 /nfs/dbraw/zinc/37/72/98/602377298.db2.gz ZUUIZGZVWDARAN-LLVKDONJSA-N -1 0 346.358 3.805 20 0 EHADRM CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000830158768 602378735 /nfs/dbraw/zinc/37/87/35/602378735.db2.gz ZWODNPNBSLIWDK-KBPBESRZSA-N -1 0 340.420 3.710 20 0 EHADRM CCN(CCc1cccs1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000829713414 602379773 /nfs/dbraw/zinc/37/97/73/602379773.db2.gz GMABQJLVCUSOIG-UHFFFAOYSA-N -1 0 336.388 3.682 20 0 EHADRM CCC[C@H](NC(=O)[O-])C(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000739319744 602384114 /nfs/dbraw/zinc/38/41/14/602384114.db2.gz LFNYAPOEYWLFMS-AWEZNQCLSA-N -1 0 343.383 3.594 20 0 EHADRM CC(C)c1cccc(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)n1 ZINC000827134384 602391323 /nfs/dbraw/zinc/39/13/23/602391323.db2.gz WCXCIFBKAMOPPU-UHFFFAOYSA-N -1 0 347.440 3.910 20 0 EHADRM Cc1nc(C2CCCC2)sc1C(=O)N(CC(=O)[O-])C1CCCC1 ZINC000621574688 602400384 /nfs/dbraw/zinc/40/03/84/602400384.db2.gz CYWJKSRELRDGBH-UHFFFAOYSA-N -1 0 336.457 3.579 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2nc(-c3ccccc3)cs2)cc1F ZINC000833153751 602403325 /nfs/dbraw/zinc/40/33/25/602403325.db2.gz FHIVOYYTSQRXFD-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM Cc1ccc2[nH]c(-c3nc([C@@H](CC(C)C)NC(=O)[O-])no3)cc2c1 ZINC000740158129 602407484 /nfs/dbraw/zinc/40/74/84/602407484.db2.gz HLUHWDOLMADSDY-CYBMUJFWSA-N -1 0 328.372 3.881 20 0 EHADRM CN(CC1CCN(C(=O)Nc2ccccc2C(C)(C)C)CC1)C(=O)[O-] ZINC000739649428 602408322 /nfs/dbraw/zinc/40/83/22/602408322.db2.gz BHRIVFRTLLSMJY-UHFFFAOYSA-N -1 0 347.459 3.838 20 0 EHADRM CC(C)(C)c1ncc(-c2nc(C3(NC(=O)[O-])CCCC3)no2)s1 ZINC000738728930 602411183 /nfs/dbraw/zinc/41/11/83/602411183.db2.gz UEURJWRCCBMLKI-UHFFFAOYSA-N -1 0 336.417 3.528 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=S)NCc3cccs3)ccc21 ZINC000740524547 602431936 /nfs/dbraw/zinc/43/19/36/602431936.db2.gz ZIPLWIHYOMBJCL-UHFFFAOYSA-N -1 0 347.465 3.665 20 0 EHADRM COc1cc(NC(=O)c2cccc(C(F)F)c2)ccc1NC(=O)[O-] ZINC000739872322 602432306 /nfs/dbraw/zinc/43/23/06/602432306.db2.gz UYAQYMVRZLVLDA-UHFFFAOYSA-N -1 0 336.294 3.975 20 0 EHADRM CCCN(C(=S)Nc1cccc(C(C)C)c1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739346269 602432402 /nfs/dbraw/zinc/43/24/02/602432402.db2.gz PMWRMSJAICZULS-MRXNPFEDSA-N -1 0 349.500 3.971 20 0 EHADRM Cc1ccc(-c2nc(CN3CCC([C@@H](C)NC(=O)[O-])CC3)co2)cc1 ZINC000740092595 602448142 /nfs/dbraw/zinc/44/81/42/602448142.db2.gz MZNBBLFJZOEFKV-CQSZACIVSA-N -1 0 343.427 3.518 20 0 EHADRM Cc1ccccc1CN(C)C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000740185438 602454529 /nfs/dbraw/zinc/45/45/29/602454529.db2.gz VWHJDLHKHBXETO-GOSISDBHSA-N -1 0 340.423 3.743 20 0 EHADRM COCc1ccccc1NC(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000739845224 602459866 /nfs/dbraw/zinc/45/98/66/602459866.db2.gz GUNNQQIDOQOEOU-KRWDZBQOSA-N -1 0 342.395 3.561 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)N1CCC[C@@H]1C1CCCC1)c1ccccc1 ZINC000740540944 602463578 /nfs/dbraw/zinc/46/35/78/602463578.db2.gz XUHLSQCQNLUAMS-ZWKOTPCHSA-N -1 0 344.455 3.957 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N(C)[C@H](C)CNC(=O)[O-] ZINC000740031972 602466471 /nfs/dbraw/zinc/46/64/71/602466471.db2.gz SHZIZVCWKROBLV-LLVKDONJSA-N -1 0 340.379 3.623 20 0 EHADRM Cc1ccc2c(Cl)c(C(=O)NCC[C@@H](C)NC(=O)[O-])sc2c1 ZINC000740155595 602468716 /nfs/dbraw/zinc/46/87/16/602468716.db2.gz SFTCODKSMADGHH-SECBINFHSA-N -1 0 340.832 3.639 20 0 EHADRM O=C([O-])NCCCC(=O)O[C@H](c1cccc(Cl)c1)C(F)(F)F ZINC000739966903 602479816 /nfs/dbraw/zinc/47/98/16/602479816.db2.gz OMRQGDOWLSZSDH-LLVKDONJSA-N -1 0 339.697 3.534 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N(Cc2ccc(F)cc2)C2CC2)ccc1F ZINC000740693381 602482578 /nfs/dbraw/zinc/48/25/78/602482578.db2.gz XEFIWGXEAQDKCL-UHFFFAOYSA-N -1 0 346.333 3.860 20 0 EHADRM COc1ccc(C)cc1[C@H](C)NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739890142 602482749 /nfs/dbraw/zinc/48/27/49/602482749.db2.gz BDJYIUZZDDTHOW-NSHDSACASA-N -1 0 346.358 3.724 20 0 EHADRM CC(C)(CNC(=O)c1ccc(F)c(NC(=O)[O-])c1)c1ccccc1 ZINC000738752322 602483558 /nfs/dbraw/zinc/48/35/58/602483558.db2.gz HHLUPBYMJNZUJP-UHFFFAOYSA-N -1 0 330.359 3.623 20 0 EHADRM COc1c(C)ccc(NC(=O)c2ccc(F)c(NC(=O)[O-])c2)c1C ZINC000739846997 602483983 /nfs/dbraw/zinc/48/39/83/602483983.db2.gz WHTJHQZVCBSGSU-UHFFFAOYSA-N -1 0 332.331 3.793 20 0 EHADRM O=C([O-])Nc1cc(C(=O)NCc2ccc3ccccc3c2)ccc1F ZINC000740694989 602484256 /nfs/dbraw/zinc/48/42/56/602484256.db2.gz DTMRKAHBVXJONF-UHFFFAOYSA-N -1 0 338.338 3.999 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N[C@H]2CCc3cc(Cl)ccc32)ccc1F ZINC000740696127 602486730 /nfs/dbraw/zinc/48/67/30/602486730.db2.gz NZGYTCYWGRLKRQ-AWEZNQCLSA-N -1 0 348.761 3.986 20 0 EHADRM Cc1cc(C)cc([C@@H](C)NC(=O)Cc2ccc(NC(=O)[O-])cc2)c1 ZINC000740064376 602489329 /nfs/dbraw/zinc/48/93/29/602489329.db2.gz RUYJIWLECAANOA-CQSZACIVSA-N -1 0 326.396 3.813 20 0 EHADRM Cc1nc2c(s1)[C@@H](N(C)C(=O)c1cccc(NC(=O)[O-])c1)CCC2 ZINC000738872467 602489546 /nfs/dbraw/zinc/48/95/46/602489546.db2.gz GLCAQLPMUAZWAN-AWEZNQCLSA-N -1 0 345.424 3.691 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2ccc(Br)s2)cc1 ZINC000740712564 602499723 /nfs/dbraw/zinc/49/97/23/602499723.db2.gz XCENRAJMMCFMKT-UHFFFAOYSA-N -1 0 341.186 3.853 20 0 EHADRM COc1ccc2cc(C(=O)Nc3ccc(NC(=O)[O-])cc3)[nH]c2c1 ZINC000739936765 602502097 /nfs/dbraw/zinc/50/20/97/602502097.db2.gz KBBYXQPPMFKHLK-UHFFFAOYSA-N -1 0 325.324 3.519 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739956106 602504388 /nfs/dbraw/zinc/50/43/88/602504388.db2.gz SILQKGNCQCDKQL-UHFFFAOYSA-N -1 0 328.368 3.701 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738119432 602505083 /nfs/dbraw/zinc/50/50/83/602505083.db2.gz GKYIKBIRYYMCQT-GFCCVEGCSA-N -1 0 328.368 3.917 20 0 EHADRM CCCN(C(=O)c1cc2ccccc2s1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739343193 602512649 /nfs/dbraw/zinc/51/26/49/602512649.db2.gz CWGWIPVCOAJYMO-CYBMUJFWSA-N -1 0 332.425 3.506 20 0 EHADRM Cc1cc(C)cc(C2(C(=O)Nc3cccc(CNC(=O)[O-])c3)CC2)c1 ZINC000740067441 602516072 /nfs/dbraw/zinc/51/60/72/602516072.db2.gz RXKSWAONGRMAQU-UHFFFAOYSA-N -1 0 338.407 3.741 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2cccc3cnccc32)ccc1F ZINC000740696600 602547265 /nfs/dbraw/zinc/54/72/65/602547265.db2.gz FJDFWVMTTBYQHX-UHFFFAOYSA-N -1 0 325.299 3.716 20 0 EHADRM CC(=O)CCc1ccc(OC(=O)c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000738512700 602565790 /nfs/dbraw/zinc/56/57/90/602565790.db2.gz VNQQRQPRRZOGMA-UHFFFAOYSA-N -1 0 345.326 3.656 20 0 EHADRM O=C([O-])NC[C@H]1CCCN(C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000740626119 602580519 /nfs/dbraw/zinc/58/05/19/602580519.db2.gz UKSZGMKEVJJSLU-SECBINFHSA-N -1 0 346.214 3.505 20 0 EHADRM CCCN(CCc1ccccn1)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000737020407 602598953 /nfs/dbraw/zinc/59/89/53/602598953.db2.gz ZHDMWRFFXFBEQW-UHFFFAOYSA-N -1 0 342.399 3.658 20 0 EHADRM O=C([O-])N1CC[C@H](NC(=O)Nc2ccccc2SC2CCCC2)C1 ZINC000740475630 602599547 /nfs/dbraw/zinc/59/95/47/602599547.db2.gz GWRBUMJFPBYZJT-LBPRGKRZSA-N -1 0 349.456 3.595 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(NC(=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000738987485 602601255 /nfs/dbraw/zinc/60/12/55/602601255.db2.gz LDCRFURIXVKAQW-JTQLQIEISA-N -1 0 339.355 3.536 20 0 EHADRM C[C@H](CCc1ccccc1)NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738904981 602602088 /nfs/dbraw/zinc/60/20/88/602602088.db2.gz GBEANKIUOMTHPC-CYBMUJFWSA-N -1 0 327.384 3.919 20 0 EHADRM O=C([O-])NC[C@H](NC(=O)Nc1ccc2[nH]ccc2c1)C1CCCCC1 ZINC000740606909 602604225 /nfs/dbraw/zinc/60/42/25/602604225.db2.gz BNNDBKNAFUJORB-INIZCTEOSA-N -1 0 344.415 3.506 20 0 EHADRM CCC(CC)[C@H](NC(=O)N(C)[C@H](C)CNC(=O)[O-])c1cccs1 ZINC000739253661 602620482 /nfs/dbraw/zinc/62/04/82/602620482.db2.gz SIFKDFBQAIQDAM-RISCZKNCSA-N -1 0 341.477 3.523 20 0 EHADRM CN(CCCC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1)C(=O)[O-] ZINC000737417495 602640097 /nfs/dbraw/zinc/64/00/97/602640097.db2.gz HZXAFIXSYQUUMR-QGZVFWFLSA-N -1 0 343.427 3.612 20 0 EHADRM CC(=O)c1ccc(OC(=O)CC[C@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000738604969 602642624 /nfs/dbraw/zinc/64/26/24/602642624.db2.gz ZBOQYQUTVSLPBO-KRWDZBQOSA-N -1 0 341.363 3.584 20 0 EHADRM Cc1cc(C)c(NC(=O)CC[C@H](NC(=O)[O-])c2ccccc2)c(C)n1 ZINC000740066106 602642864 /nfs/dbraw/zinc/64/28/64/602642864.db2.gz OOQFNTZREIBXDN-INIZCTEOSA-N -1 0 341.411 3.734 20 0 EHADRM CC(C)COCCC(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000738827121 602643038 /nfs/dbraw/zinc/64/30/38/602643038.db2.gz MEKXWXZGBFSOCF-UHFFFAOYSA-N -1 0 348.321 3.797 20 0 EHADRM COc1cc(NC(=O)[C@@H](C)Cc2ccccc2)ccc1NC(=O)[O-] ZINC000739869490 602656948 /nfs/dbraw/zinc/65/69/48/602656948.db2.gz YGPFKAQSKYQYHJ-LBPRGKRZSA-N -1 0 328.368 3.602 20 0 EHADRM CC[C@@H](Nc1ccccc1)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739272375 602668384 /nfs/dbraw/zinc/66/83/84/602668384.db2.gz QGYUROPQRYMOMU-MRXNPFEDSA-N -1 0 339.395 3.556 20 0 EHADRM COc1ccc(NC(=O)c2ccccc2OC(C)C)cc1NC(=O)[O-] ZINC000739918150 602673662 /nfs/dbraw/zinc/67/36/62/602673662.db2.gz HPJVMRIAPUHTIL-UHFFFAOYSA-N -1 0 344.367 3.825 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCC[C@H](Cc3ccccc3)C2)cc1 ZINC000738660089 602675673 /nfs/dbraw/zinc/67/56/73/602675673.db2.gz CDKFWZFXEINKAR-MRXNPFEDSA-N -1 0 338.407 3.871 20 0 EHADRM Cc1ccc(NC(=O)N2CCC([C@@H](C)NC(=O)[O-])CC2)cc1Cl ZINC000740138552 602689464 /nfs/dbraw/zinc/68/94/64/602689464.db2.gz LBPJYNXWXSLFNH-LLVKDONJSA-N -1 0 339.823 3.548 20 0 EHADRM CC(=O)Nc1ccc(-c2csc(C3(NC(=O)[O-])CCCC3)n2)cc1 ZINC000738559749 602743785 /nfs/dbraw/zinc/74/37/85/602743785.db2.gz GUSTUZBIBXFUKB-UHFFFAOYSA-N -1 0 345.424 3.805 20 0 EHADRM C[C@H](CC(=O)N1CCC(c2cccc3ccccc32)CC1)NC(=O)[O-] ZINC000824571498 602766180 /nfs/dbraw/zinc/76/61/80/602766180.db2.gz ILQDABMJBOYSLG-CQSZACIVSA-N -1 0 340.423 3.592 20 0 EHADRM CC(C)(CCC(=O)Nc1ccc(Oc2ccccc2)nc1)NC(=O)[O-] ZINC000738742680 602793426 /nfs/dbraw/zinc/79/34/26/602793426.db2.gz BCNJRQKYPXQRBQ-UHFFFAOYSA-N -1 0 343.383 3.639 20 0 EHADRM CC(C)CC[C@H](NC(=O)N1CCC(N(C)C(=O)[O-])CC1)C(C)(C)C ZINC000737621765 602806521 /nfs/dbraw/zinc/80/65/21/602806521.db2.gz IEVKSEJFZSRMEI-HNNXBMFYSA-N -1 0 341.496 3.621 20 0 EHADRM CN(Cc1nc(-c2cccc(Br)c2)cs1)C(=O)[O-] ZINC000739718123 602810086 /nfs/dbraw/zinc/81/00/86/602810086.db2.gz RQLODTFHDANXPN-UHFFFAOYSA-N -1 0 327.203 3.682 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)N2CCC[C@@H](CNC(=O)[O-])C2)cc1 ZINC000738879917 602826516 /nfs/dbraw/zinc/82/65/16/602826516.db2.gz YAENMVPZXDDZNA-HOTGVXAUSA-N -1 0 346.471 3.810 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000824819535 602828951 /nfs/dbraw/zinc/82/89/51/602828951.db2.gz ZYOYDQUONLWQJI-NSHDSACASA-N -1 0 331.347 3.518 20 0 EHADRM Cc1ccc(C(=O)N(C)C[C@H](C)c2ccccc2)cc1NC(=O)[O-] ZINC000830182324 602830011 /nfs/dbraw/zinc/83/00/11/602830011.db2.gz YOVJDMCJUJAGLX-AWEZNQCLSA-N -1 0 326.396 3.961 20 0 EHADRM C[C@H](CCNC(=O)N(CC1CCC1)[C@H](C)c1ccccc1)NC(=O)[O-] ZINC000738899256 602830124 /nfs/dbraw/zinc/83/01/24/602830124.db2.gz OMLGXEXTRXQOAD-HUUCEWRRSA-N -1 0 347.459 3.606 20 0 EHADRM CCOC(=O)c1ccccc1NC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000827350320 602849422 /nfs/dbraw/zinc/84/94/22/602849422.db2.gz SRUGTRAUWDJQJI-UHFFFAOYSA-N -1 0 342.351 3.514 20 0 EHADRM CN(CCCCc1ccccc1)C(=O)c1ccc(NC(=O)[O-])cc1O ZINC000739668766 602850911 /nfs/dbraw/zinc/85/09/11/602850911.db2.gz KVGYQJVXOWJPNV-UHFFFAOYSA-N -1 0 342.395 3.577 20 0 EHADRM Cc1ccc(C(=O)NCc2nc(C(C)(C)C)cs2)cc1NC(=O)[O-] ZINC000830220498 602864041 /nfs/dbraw/zinc/86/40/41/602864041.db2.gz WNAOBMLTVHLHBE-UHFFFAOYSA-N -1 0 347.440 3.769 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(C[C@@H]2CCc3ccccc32)n1 ZINC000738814179 602868659 /nfs/dbraw/zinc/86/86/59/602868659.db2.gz AHXPXUVAQBAQTH-DZGCQCFKSA-N -1 0 329.400 3.697 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)N(C1CC1)C1CCN(C(=O)[O-])CC1 ZINC000740181683 602877783 /nfs/dbraw/zinc/87/77/83/602877783.db2.gz FEQQOTHXYZLTTH-HNNXBMFYSA-N -1 0 344.455 3.622 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NCC1(C)CCCC1 ZINC000829182448 602895108 /nfs/dbraw/zinc/89/51/08/602895108.db2.gz LWEMJOAAJPJSFS-UHFFFAOYSA-N -1 0 340.807 3.749 20 0 EHADRM C[C@H](CC(=O)N(Cc1ccco1)c1cccc(Cl)c1)NC(=O)[O-] ZINC000824564249 602903095 /nfs/dbraw/zinc/90/30/95/602903095.db2.gz GZQBJTMQSXXDQW-LLVKDONJSA-N -1 0 336.775 3.512 20 0 EHADRM C[C@@]1(C(=O)Nc2cccc(CNC(=O)[O-])c2)CCc2ccccc2C1 ZINC000825684929 602905475 /nfs/dbraw/zinc/90/54/75/602905475.db2.gz NEEBJFYHNCTZSX-HXUWFJFHSA-N -1 0 338.407 3.588 20 0 EHADRM CCc1ccc([C@@H](C)Cc2nc(C3(NC(=O)[O-])CCC3)no2)cc1 ZINC000739542321 602930247 /nfs/dbraw/zinc/93/02/47/602930247.db2.gz KIVPKWMLNDRDEC-LBPRGKRZSA-N -1 0 329.400 3.625 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)cc1 ZINC000738667703 602964395 /nfs/dbraw/zinc/96/43/95/602964395.db2.gz SCLKKCROWQPMNB-RYUDHWBXSA-N -1 0 333.290 3.764 20 0 EHADRM CC(C)c1ncc(Cl)c(C(=O)Oc2ccc(NC(=O)[O-])cc2)n1 ZINC000737654369 602965859 /nfs/dbraw/zinc/96/58/59/602965859.db2.gz VMOBBOZYNUCPLS-UHFFFAOYSA-N -1 0 335.747 3.563 20 0 EHADRM CCOC(=O)Nc1ccc(C(=O)Oc2ccc(NC(=O)[O-])cc2)cc1 ZINC000737874732 602969197 /nfs/dbraw/zinc/96/91/97/602969197.db2.gz YRQRQOPVKSGLTO-UHFFFAOYSA-N -1 0 344.323 3.564 20 0 EHADRM Cc1ccc(C(=O)N2CCCN(C)c3ccccc32)cc1NC(=O)[O-] ZINC000830192935 602969928 /nfs/dbraw/zinc/96/99/28/602969928.db2.gz QCIXHHFLCQVCTP-UHFFFAOYSA-N -1 0 339.395 3.572 20 0 EHADRM CCc1nc(C)c([C@H](C)OC(=O)Cc2ccc(NC(=O)[O-])cc2)s1 ZINC000739557337 602971654 /nfs/dbraw/zinc/97/16/54/602971654.db2.gz RREPWCGUVBAQII-NSHDSACASA-N -1 0 348.424 3.951 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000740568107 602975616 /nfs/dbraw/zinc/97/56/16/602975616.db2.gz ISVSGRRVDSYIBH-NWDGAFQWSA-N -1 0 345.424 3.549 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(CNC(=O)[O-])o2)c1C ZINC000830492468 602987801 /nfs/dbraw/zinc/98/78/01/602987801.db2.gz ICEFVBMVBPDXRD-INIZCTEOSA-N -1 0 342.395 3.641 20 0 EHADRM CC[C@@H]1CCCN(C(=O)Nc2ccc(NC(=O)[O-])c(OC)c2)CC1 ZINC000739268099 602997370 /nfs/dbraw/zinc/99/73/70/602997370.db2.gz LUDCHZVVMHZXGN-GFCCVEGCSA-N -1 0 335.404 3.829 20 0 EHADRM O=C([O-])NCc1cccc(OC(=O)/C=C\c2ccnc3ccccc23)c1 ZINC000740680803 603008338 /nfs/dbraw/zinc/00/83/38/603008338.db2.gz WBDSOICQGRTACW-HJWRWDBZSA-N -1 0 348.358 3.621 20 0 EHADRM CC(C)Sc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc1 ZINC000738868471 603011587 /nfs/dbraw/zinc/01/15/87/603011587.db2.gz AEKDTPOUVYIYRB-GOOCMWNKSA-N -1 0 348.468 3.590 20 0 EHADRM C[C@@H](CN(C)C(=O)[O-])c1noc(Cc2cccc3ccccc32)n1 ZINC000738909422 603017244 /nfs/dbraw/zinc/01/72/44/603017244.db2.gz BWEUBDRCNDUIHR-LBPRGKRZSA-N -1 0 325.368 3.527 20 0 EHADRM Cc1cc(C)cc(NC(=O)CNc2cc(NC(=O)[O-])ccc2F)c1 ZINC000740065625 603020214 /nfs/dbraw/zinc/02/02/14/603020214.db2.gz DEUQFCSPEQVZKS-UHFFFAOYSA-N -1 0 331.347 3.583 20 0 EHADRM CCSc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[O-])c1 ZINC000739518725 603038852 /nfs/dbraw/zinc/03/88/52/603038852.db2.gz PYBONJRUPUMHFP-MRXNPFEDSA-N -1 0 344.436 3.616 20 0 EHADRM CC(C)(CC(=O)N1Cc2ccccc2-c2ccccc2C1)NC(=O)[O-] ZINC000738733832 603038950 /nfs/dbraw/zinc/03/89/50/603038950.db2.gz ZNGRURXTQBHIEM-UHFFFAOYSA-N -1 0 338.407 3.632 20 0 EHADRM CS[C@H]1CCC[C@H](NC(=O)Nc2cc(NC(=O)[O-])ccc2F)C1 ZINC000739999809 603041416 /nfs/dbraw/zinc/04/14/16/603041416.db2.gz LZWOKKPOMIZWKQ-ONGXEEELSA-N -1 0 341.408 3.711 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)c2ccc(-c3cnco3)cc2)cc1 ZINC000827914360 603046488 /nfs/dbraw/zinc/04/64/88/603046488.db2.gz PPYURKLCSWTJPM-UHFFFAOYSA-N -1 0 338.319 3.675 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)[C@H]3CSc4ccccc43)ccc21 ZINC000740472728 603055584 /nfs/dbraw/zinc/05/55/84/603055584.db2.gz XULJRBXITBGLMU-AWEZNQCLSA-N -1 0 340.404 3.555 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)Nc2cccc(CC(F)(F)F)c2)C1 ZINC000832325880 603082399 /nfs/dbraw/zinc/08/23/99/603082399.db2.gz OMQWBNAWYKADPE-WCQYABFASA-N -1 0 344.333 3.556 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000739258262 603110476 /nfs/dbraw/zinc/11/04/76/603110476.db2.gz PXGQJANJDIOOQD-QGZVFWFLSA-N -1 0 338.492 3.831 20 0 EHADRM CC(C)n1cc(NC(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])cn1 ZINC000738887103 603130264 /nfs/dbraw/zinc/13/02/64/603130264.db2.gz XTQKZMOICOIQOP-UHFFFAOYSA-N -1 0 343.387 3.539 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000740567415 603149295 /nfs/dbraw/zinc/14/92/95/603149295.db2.gz CUBAICZLNPWIAC-GXSJLCMTSA-N -1 0 344.383 3.766 20 0 EHADRM CN(C(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1)c1ccc2ccccc2c1 ZINC000739573642 603153502 /nfs/dbraw/zinc/15/35/02/603153502.db2.gz LBIODWWUJPZPJX-HZPDHXFCSA-N -1 0 326.396 3.629 20 0 EHADRM CCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739439571 603165844 /nfs/dbraw/zinc/16/58/44/603165844.db2.gz MCKFJHROOWXGSR-DZGCQCFKSA-N -1 0 338.835 3.515 20 0 EHADRM CCCc1ncc(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)s1 ZINC000826955017 603174227 /nfs/dbraw/zinc/17/42/27/603174227.db2.gz XIOWYBSUHHCCCD-SNVBAGLBSA-N -1 0 333.413 3.677 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)Cc2cc(-c3ccccc3)on2)cc1 ZINC000738665841 603174817 /nfs/dbraw/zinc/17/48/17/603174817.db2.gz QYIPIBMBVZSSKL-UHFFFAOYSA-N -1 0 337.335 3.613 20 0 EHADRM CN(C(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1)c1cccc2ccccc21 ZINC000739572238 603179742 /nfs/dbraw/zinc/17/97/42/603179742.db2.gz DDINCWUYRNYLHY-GJZGRUSLSA-N -1 0 326.396 3.629 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000825418897 603180530 /nfs/dbraw/zinc/18/05/30/603180530.db2.gz YVYFPRFMNABZOX-CQSZACIVSA-N -1 0 342.395 3.813 20 0 EHADRM CC(C)(NC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000738753754 603193025 /nfs/dbraw/zinc/19/30/25/603193025.db2.gz YETPTHQLEMILKC-BXUZGUMPSA-N -1 0 338.835 3.518 20 0 EHADRM O=C([O-])N1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cc2occc2s1 ZINC000740518369 603196115 /nfs/dbraw/zinc/19/61/15/603196115.db2.gz QQJKXIIWRRMREW-NEPJUHHUSA-N -1 0 348.424 3.631 20 0 EHADRM C[C@H](C(=O)NCc1ccc(Cl)cc1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823706141 603209877 /nfs/dbraw/zinc/20/98/77/603209877.db2.gz YYHLXWGYHJWNFV-LRDDRELGSA-N -1 0 346.814 3.601 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)N2CCCCC[C@@H]2c2ccco2)C1 ZINC000740560713 603210934 /nfs/dbraw/zinc/21/09/34/603210934.db2.gz AWNUSJLEQVRDCB-RBSFLKMASA-N -1 0 334.416 3.550 20 0 EHADRM Cc1cccc(NC(=O)[C@H](C)[C@@H](NC(=O)[O-])c2ccccc2)c1C ZINC000830512199 603212382 /nfs/dbraw/zinc/21/23/82/603212382.db2.gz VJGMYKKFFGXQCY-RHSMWYFYSA-N -1 0 326.396 3.887 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)c2ccc(NC(=O)[O-])cc2Cl)cc1 ZINC000739896270 603214121 /nfs/dbraw/zinc/21/41/21/603214121.db2.gz LVGFURZRHWSFIN-SNVBAGLBSA-N -1 0 348.786 3.930 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)cc1 ZINC000740116568 603216866 /nfs/dbraw/zinc/21/68/66/603216866.db2.gz ABELORDYNNIMLJ-SQNIBIBYSA-N -1 0 344.455 3.875 20 0 EHADRM Cc1ccc([C@H]2CCCCN2C(=O)c2ccc(CNC(=O)[O-])cc2)o1 ZINC000740118765 603218413 /nfs/dbraw/zinc/21/84/13/603218413.db2.gz QYWRKOASDNRZAM-MRXNPFEDSA-N -1 0 342.395 3.723 20 0 EHADRM COc1ccccc1N(C)C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739974770 603226807 /nfs/dbraw/zinc/22/68/07/603226807.db2.gz BTIGOZORCOGOSO-UHFFFAOYSA-N -1 0 334.759 3.715 20 0 EHADRM C[C@@H](Cc1ccsc1)NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000738941505 603227433 /nfs/dbraw/zinc/22/74/33/603227433.db2.gz BYNMCIHEVMVFID-VIFPVBQESA-N -1 0 338.816 3.852 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)c(Cl)c1 ZINC000740699121 603233700 /nfs/dbraw/zinc/23/37/00/603233700.db2.gz QNLSBQPICMZAPV-UKRRQHHQSA-N -1 0 348.761 3.855 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2cccc(F)c2F)c(Cl)c1 ZINC000740700419 603233730 /nfs/dbraw/zinc/23/37/30/603233730.db2.gz MOCZUZZGGVJBGH-UHFFFAOYSA-N -1 0 326.686 3.960 20 0 EHADRM C[C@H](NC(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1)c1cccs1 ZINC000825066994 603236686 /nfs/dbraw/zinc/23/66/86/603236686.db2.gz QSIPTWWSMYGXAB-HUBLWGQQSA-N -1 0 332.425 3.570 20 0 EHADRM CN(CCCNC(=O)[O-])Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000739679631 603249380 /nfs/dbraw/zinc/24/93/80/603249380.db2.gz YMTUREJXNNNKIM-UHFFFAOYSA-N -1 0 339.848 3.553 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)Nc2nc3c(s2)CCC3)cc1 ZINC000825443022 603259145 /nfs/dbraw/zinc/25/91/45/603259145.db2.gz VYAUOMCKCKJYQK-VIFPVBQESA-N -1 0 346.412 3.604 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)Nc2cc(F)cc(F)c2)cc1 ZINC000825442681 603263067 /nfs/dbraw/zinc/26/30/67/603263067.db2.gz MTVXSDKHSOFBFM-SECBINFHSA-N -1 0 335.310 3.937 20 0 EHADRM Cc1ccc(NC(=O)[C@@H](NC(=O)[O-])c2cccc(Cl)c2)c(F)c1 ZINC000740133811 603268812 /nfs/dbraw/zinc/26/88/12/603268812.db2.gz ISFMMVWYBGMJPC-AWEZNQCLSA-N -1 0 336.750 3.735 20 0 EHADRM Cc1ccc(F)c(NC(=O)[C@@H](NC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000740126347 603269096 /nfs/dbraw/zinc/26/90/96/603269096.db2.gz AVICZZITJMKPPM-AWEZNQCLSA-N -1 0 336.750 3.735 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)c2n[nH]cc21 ZINC000740140556 603292203 /nfs/dbraw/zinc/29/22/03/603292203.db2.gz CHSBHLIDVSOUFR-UHFFFAOYSA-N -1 0 344.758 3.867 20 0 EHADRM O=C([O-])N1CCC(N(C(=O)C[C@H]2C=CCC2)c2ccccc2F)CC1 ZINC000740500216 603300386 /nfs/dbraw/zinc/30/03/86/603300386.db2.gz GXTJZLUGQZXYBX-AWEZNQCLSA-N -1 0 346.402 3.657 20 0 EHADRM Cc1c(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)n[nH]c1C1CC1 ZINC000740048616 603300834 /nfs/dbraw/zinc/30/08/34/603300834.db2.gz MAMKFGPUVXWTQR-UHFFFAOYSA-N -1 0 334.763 3.591 20 0 EHADRM CC(C)C[C@H](C(=O)N1CCC([C@H](C)NC(=O)[O-])CC1)c1ccccc1 ZINC000738802592 603304716 /nfs/dbraw/zinc/30/47/16/603304716.db2.gz BONLCZKVYJKRTO-YJBOKZPZSA-N -1 0 346.471 3.711 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(NC(=O)[O-])cc1)c1ccc(F)cc1F ZINC000824937910 603310367 /nfs/dbraw/zinc/31/03/67/603310367.db2.gz FDVOKWNYWWINCZ-JTQLQIEISA-N -1 0 349.337 3.980 20 0 EHADRM CCN(CCc1ccccc1)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739438717 603324915 /nfs/dbraw/zinc/32/49/15/603324915.db2.gz IDVAYGVFJPKHCC-UHFFFAOYSA-N -1 0 341.411 3.551 20 0 EHADRM CCN(Cc1cccc(NC(=O)N([C@@H](C)C2CC2)C2CC2)c1)C(=O)[O-] ZINC000827167949 603329290 /nfs/dbraw/zinc/32/92/90/603329290.db2.gz RJYZODNQEIISHO-ZDUSSCGKSA-N -1 0 345.443 3.981 20 0 EHADRM CN(Cc1ccccc1NC(=O)NCc1cccc(Cl)c1)C(=O)[O-] ZINC000739718743 603336372 /nfs/dbraw/zinc/33/63/72/603336372.db2.gz WGNAATNQTWSIKB-UHFFFAOYSA-N -1 0 347.802 3.772 20 0 EHADRM CC[C@@H]1CCCN(C(=O)Nc2ccccc2CN(C)C(=O)[O-])CC1 ZINC000739272807 603338347 /nfs/dbraw/zinc/33/83/47/603338347.db2.gz QVTCWRFKWFOGCV-CQSZACIVSA-N -1 0 333.432 3.840 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N(C)C(C1CC1)C1CC1)C(=O)[O-] ZINC000739445018 603352875 /nfs/dbraw/zinc/35/28/75/603352875.db2.gz RJJBZWUUWNWVIU-UHFFFAOYSA-N -1 0 345.443 3.839 20 0 EHADRM C[C@@H](CC(=O)N[C@H](CCc1ccccc1)c1ccccc1)NC(=O)[O-] ZINC000824614535 603357120 /nfs/dbraw/zinc/35/71/20/603357120.db2.gz KRBKVMAHJSJDOO-MAUKXSAKSA-N -1 0 340.423 3.523 20 0 EHADRM C[C@H](CC(=O)N[C@@H](CCc1ccccc1)c1ccccc1)NC(=O)[O-] ZINC000824614536 603357257 /nfs/dbraw/zinc/35/72/57/603357257.db2.gz KRBKVMAHJSJDOO-QAPCUYQASA-N -1 0 340.423 3.523 20 0 EHADRM C[C@H]1CN(C(=O)c2sccc2-c2ccccc2)CC[C@H]1NC(=O)[O-] ZINC000739177577 603357805 /nfs/dbraw/zinc/35/78/05/603357805.db2.gz VRSXOCSZGCRBMF-SWLSCSKDSA-N -1 0 344.436 3.533 20 0 EHADRM Cc1ccc(C(=O)NCc2cccc(OC(C)C)c2)cc1NC(=O)[O-] ZINC000830220340 603357835 /nfs/dbraw/zinc/35/78/35/603357835.db2.gz RUWGWSLUZFYRCV-UHFFFAOYSA-N -1 0 342.395 3.802 20 0 EHADRM C[C@@H]1CN(C(=O)/C=C\c2ccc(C(C)(C)C)cc2)CC[C@@H]1NC(=O)[O-] ZINC000739130728 603363317 /nfs/dbraw/zinc/36/33/17/603363317.db2.gz VZHJTQWRACQUKJ-PTRZUZADSA-N -1 0 344.455 3.502 20 0 EHADRM CCCCSc1nnc(SC[C@@H]2CCN(C(=O)[O-])C2)s1 ZINC000739343773 603372799 /nfs/dbraw/zinc/37/27/99/603372799.db2.gz ZMTWCZUTTIHBLS-SECBINFHSA-N -1 0 333.504 3.522 20 0 EHADRM CCSCC[C@@H](C)NC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000827503765 603383402 /nfs/dbraw/zinc/38/34/02/603383402.db2.gz LZXOSSSAWFSXKV-VXGBXAGGSA-N -1 0 339.461 3.668 20 0 EHADRM C[C@H](C(=O)Nc1nc(C2CC2)cs1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823723664 603389845 /nfs/dbraw/zinc/38/98/45/603389845.db2.gz MHTLRQXVDIFELA-IINYFYTJSA-N -1 0 345.424 3.604 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739084557 603392953 /nfs/dbraw/zinc/39/29/53/603392953.db2.gz RDJQSIRWHQQRPM-WFASDCNBSA-N -1 0 342.370 3.934 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)c1ccc(F)c(NC(=O)[O-])c1)C(C)C ZINC000740194585 603393698 /nfs/dbraw/zinc/39/36/98/603393698.db2.gz TZARDQVQTJRPIX-OAHLLOKOSA-N -1 0 345.374 3.746 20 0 EHADRM Cc1ccc(C(=O)N(CC(C)C)CC(F)(F)F)cc1NC(=O)[O-] ZINC000830181946 603417011 /nfs/dbraw/zinc/41/70/11/603417011.db2.gz KCEVBTOSKKEGIM-UHFFFAOYSA-N -1 0 332.322 3.745 20 0 EHADRM CSc1cccc(NC(=O)C[C@H](Cc2ccccc2)NC(=O)[O-])c1 ZINC000829772184 603428486 /nfs/dbraw/zinc/42/84/86/603428486.db2.gz PKCFQKSOFLJNJR-HNNXBMFYSA-N -1 0 344.436 3.616 20 0 EHADRM CO[C@@H](CNC(=O)c1cccc(NC(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000737735722 603434072 /nfs/dbraw/zinc/43/40/72/603434072.db2.gz SVRDIXIILLHLTC-HNNXBMFYSA-N -1 0 348.786 3.547 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Cc2ccc(NC(=O)[O-])cc2)cc1F ZINC000830250627 603448980 /nfs/dbraw/zinc/44/89/80/603448980.db2.gz GZHXYDLRVYQFHE-GFCCVEGCSA-N -1 0 330.359 3.644 20 0 EHADRM Cc1ccc(NC(=O)N2CCC(N(CC3CC3)C(=O)[O-])CC2)cc1C ZINC000830380912 603451416 /nfs/dbraw/zinc/45/14/16/603451416.db2.gz CIXLUVOXWIYLJY-UHFFFAOYSA-N -1 0 345.443 3.690 20 0 EHADRM C[C@@H](C(=O)OCC1(C(F)(F)F)CC1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823731084 603453704 /nfs/dbraw/zinc/45/37/04/603453704.db2.gz IPDRGUARSRJGND-ZYHUDNBSSA-N -1 0 345.317 3.517 20 0 EHADRM CCN(C(=O)NCC(C)(C)NC(=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000826980441 603458886 /nfs/dbraw/zinc/45/88/86/603458886.db2.gz VICKCETXJQBPMV-GFCCVEGCSA-N -1 0 347.415 3.572 20 0 EHADRM COc1ccc(NC(=O)c2cccc3[nH]ccc32)cc1NC(=O)[O-] ZINC000829474779 603476922 /nfs/dbraw/zinc/47/69/22/603476922.db2.gz PMFIFUBFQRSZBM-UHFFFAOYSA-N -1 0 325.324 3.519 20 0 EHADRM Cc1nc(COC(=O)c2ccc(NC(=O)[O-])cc2Cl)sc1C ZINC000830761324 603484970 /nfs/dbraw/zinc/48/49/70/603484970.db2.gz PXRBVHHDPVIZSI-UHFFFAOYSA-N -1 0 340.788 3.860 20 0 EHADRM Cc1onc(-c2ccccc2)c1C(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000830952000 603485018 /nfs/dbraw/zinc/48/50/18/603485018.db2.gz AVDLXJJRUBTJOP-UHFFFAOYSA-N -1 0 338.319 3.959 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NC1(C)CCCC1 ZINC000829173612 603535987 /nfs/dbraw/zinc/53/59/87/603535987.db2.gz LJVNAZWVNDCLNM-UHFFFAOYSA-N -1 0 326.780 3.501 20 0 EHADRM C[C@H](CCOc1ccccc1)c1nc(C2(NC(=O)[O-])CCCC2)no1 ZINC000824808987 603542483 /nfs/dbraw/zinc/54/24/83/603542483.db2.gz COJRNOLZOFORSS-CYBMUJFWSA-N -1 0 345.399 3.679 20 0 EHADRM Cc1ccc(C(=O)N2c3ccccc3OC[C@@H]2C)cc1NC(=O)[O-] ZINC000830205223 603546806 /nfs/dbraw/zinc/54/68/06/603546806.db2.gz NEXGWWWJXWZTBQ-LBPRGKRZSA-N -1 0 326.352 3.513 20 0 EHADRM CC(C)[C@@H](C)N(C(=O)NCCc1ccc(NC(=O)[O-])cc1)C1CC1 ZINC000824070283 603571800 /nfs/dbraw/zinc/57/18/00/603571800.db2.gz AKFIKEIKBQENOO-CYBMUJFWSA-N -1 0 333.432 3.538 20 0 EHADRM CN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CCN(C(=O)[O-])C1 ZINC000827816403 603579719 /nfs/dbraw/zinc/57/97/19/603579719.db2.gz UCBGASOMYZORGK-HNNXBMFYSA-N -1 0 339.395 3.570 20 0 EHADRM CCN(CC(=O)Nc1cccc(COC(C)(C)CC)c1C)C(=O)[O-] ZINC000827014276 603584261 /nfs/dbraw/zinc/58/42/61/603584261.db2.gz APNCWVLTIQRDOQ-UHFFFAOYSA-N -1 0 336.432 3.639 20 0 EHADRM CC(C)C[C@H]1CCN(C(=O)Nc2cccc(CN(C)C(=O)[O-])c2)C1 ZINC000824231416 603600637 /nfs/dbraw/zinc/60/06/37/603600637.db2.gz IFKVNWKUCLJKLZ-OAHLLOKOSA-N -1 0 333.432 3.696 20 0 EHADRM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)CC1CN(C(=O)[O-])C1 ZINC000825623910 603650372 /nfs/dbraw/zinc/65/03/72/603650372.db2.gz RMYYEBQVGOVIHJ-VIFPVBQESA-N -1 0 345.226 3.513 20 0 EHADRM O=C([O-])N1CCC(CC(=O)N2CCCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000831868681 603673943 /nfs/dbraw/zinc/67/39/43/603673943.db2.gz BFRYCSRWLXYQAT-QGZVFWFLSA-N -1 0 348.418 3.659 20 0 EHADRM O=C([O-])NC1(c2noc(-c3ccc4ccc(Cl)cc4n3)n2)CCC1 ZINC000832222958 603731181 /nfs/dbraw/zinc/73/11/81/603731181.db2.gz GSPAUXGZMCSCSA-UHFFFAOYSA-N -1 0 344.758 3.585 20 0 EHADRM CCN(CC1CCN(C(=O)c2cc3cc(C)ccc3o2)CC1)C(=O)[O-] ZINC000827079846 603747867 /nfs/dbraw/zinc/74/78/67/603747867.db2.gz HHPWIMDDANQIJQ-UHFFFAOYSA-N -1 0 344.411 3.593 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(C2(c3ccccc3F)CC2)n1 ZINC000824219474 603767999 /nfs/dbraw/zinc/76/79/99/603767999.db2.gz UPTCHXFDHJLPRJ-CYBMUJFWSA-N -1 0 333.363 3.643 20 0 EHADRM CCC[C@](C)(NC(=O)[O-])C(=O)OCc1ncc(-c2ccc(C)cc2)o1 ZINC000826729086 603802881 /nfs/dbraw/zinc/80/28/81/603802881.db2.gz RDFFNHHXOMBUCA-SFHVURJKSA-N -1 0 346.383 3.520 20 0 EHADRM Cc1c(Cl)cccc1NC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000829867363 603827377 /nfs/dbraw/zinc/82/73/77/603827377.db2.gz LYUNZVJMLQQXDQ-YHWZYXNKSA-N -1 0 336.819 3.898 20 0 EHADRM Cc1ccc(NC(=S)N(C)C2CCC(NC(=O)[O-])CC2)c(C)c1 ZINC000830396169 603829136 /nfs/dbraw/zinc/82/91/36/603829136.db2.gz VGJSCHMKAJBGQK-UHFFFAOYSA-N -1 0 335.473 3.511 20 0 EHADRM CC[C@H](NC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccccc1 ZINC000826600794 603833211 /nfs/dbraw/zinc/83/32/11/603833211.db2.gz LPWTZTCQSMGZLF-YQAQFAQXSA-N -1 0 330.428 3.565 20 0 EHADRM COc1c(C)ccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1C ZINC000829066194 603837413 /nfs/dbraw/zinc/83/74/13/603837413.db2.gz HCZWJIGNEIKZRY-GOOCMWNKSA-N -1 0 346.427 3.562 20 0 EHADRM Cc1noc(C(F)F)c1C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000830904713 603867957 /nfs/dbraw/zinc/86/79/57/603867957.db2.gz YODAVKLMTIUMLQ-ZETCQYMHSA-N -1 0 339.298 3.502 20 0 EHADRM CCO[C@H](CCNC(=O)c1ccc(NC(=O)[O-])cc1Cl)C(C)C ZINC000827370626 603877627 /nfs/dbraw/zinc/87/76/27/603877627.db2.gz DTZIUTPFDBQHDL-CQSZACIVSA-N -1 0 342.823 3.611 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000830262312 603882084 /nfs/dbraw/zinc/88/20/84/603882084.db2.gz NGCHPVQDBGJZPV-JQWIXIFHSA-N -1 0 344.333 3.779 20 0 EHADRM Cc1nc(CCCC(=O)Nc2ccccc2CN(C)C(=O)[O-])cs1 ZINC000830741395 603900419 /nfs/dbraw/zinc/90/04/19/603900419.db2.gz GKZIOWQSTJFRQN-UHFFFAOYSA-N -1 0 347.440 3.523 20 0 EHADRM Cc1cccc([C@H](C)CNC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1 ZINC000830471220 603907183 /nfs/dbraw/zinc/90/71/83/603907183.db2.gz GUICXRYHDPPOHQ-DUZACMNTSA-N -1 0 344.455 3.526 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)Nc2ccccc2-c2cccs2)C1 ZINC000832297218 603945995 /nfs/dbraw/zinc/94/59/95/603945995.db2.gz NVWHBFYBJAZVTE-VXGBXAGGSA-N -1 0 330.409 3.790 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)Cc1cc2ccccc2o1 ZINC000831557667 603946248 /nfs/dbraw/zinc/94/62/48/603946248.db2.gz JWXYJPOKHQNDGU-UHFFFAOYSA-N -1 0 336.347 3.655 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)c1cc(-c2ccccc2)on1 ZINC000831794190 603958195 /nfs/dbraw/zinc/95/81/95/603958195.db2.gz WXVWFOJAABNMAY-UHFFFAOYSA-N -1 0 349.346 3.634 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000831793977 603958202 /nfs/dbraw/zinc/95/82/02/603958202.db2.gz SZLHDIVLKNEIBG-HUUCEWRRSA-N -1 0 340.354 3.608 20 0 EHADRM C[C@@H]1CCN(C(=O)CCC(C)(C)NC(=O)[O-])[C@@H]1c1cccc(F)c1 ZINC000825939446 603963521 /nfs/dbraw/zinc/96/35/21/603963521.db2.gz UKXPOBYBFKTFED-WBMJQRKESA-N -1 0 336.407 3.562 20 0 EHADRM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000830555785 603980284 /nfs/dbraw/zinc/98/02/84/603980284.db2.gz ZQHVRVHVQSWYTC-INMHGKMJSA-N -1 0 332.444 3.587 20 0 EHADRM CN(C(=O)Nc1cccc(Cl)c1Cl)C1CCN(C(=O)[O-])CC1 ZINC000827808948 604006925 /nfs/dbraw/zinc/00/69/25/604006925.db2.gz AFAODANWUIHMFN-UHFFFAOYSA-N -1 0 346.214 3.600 20 0 EHADRM Cc1nc(Cl)sc1C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000830763818 604022427 /nfs/dbraw/zinc/02/24/27/604022427.db2.gz DTSJPTWLSGWWKB-ZETCQYMHSA-N -1 0 339.804 3.686 20 0 EHADRM Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000830444983 604034035 /nfs/dbraw/zinc/03/40/35/604034035.db2.gz DAFZKTQUSOUXAH-GFCCVEGCSA-N -1 0 326.352 3.513 20 0 EHADRM Cc1ccccc1-c1cnc(CN2CCCC[C@H]2[C@@H](C)NC(=O)[O-])o1 ZINC000830546804 604049113 /nfs/dbraw/zinc/04/91/13/604049113.db2.gz ZDSMRYRMANEOFS-ZBFHGGJFSA-N -1 0 343.427 3.661 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)c2cc(C)c(F)cc2F)c1 ZINC000829469865 604053985 /nfs/dbraw/zinc/05/39/85/604053985.db2.gz YDIDQBIHFDYVPM-UHFFFAOYSA-N -1 0 336.294 3.624 20 0 EHADRM CN(C[C@@H]1CCCN1Cc1coc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000828229256 604109215 /nfs/dbraw/zinc/10/92/15/604109215.db2.gz AOXBMIRBYQEXMF-HNNXBMFYSA-N -1 0 349.818 3.569 20 0 EHADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2Cl)C1 ZINC000825242958 604150009 /nfs/dbraw/zinc/15/00/09/604150009.db2.gz BTKOZVLAQVHATI-NXEZZACHSA-N -1 0 345.226 3.502 20 0 EHADRM CO[C@H](C)c1nc(CNc2ccc([C@@H](C)NC(=O)[O-])cc2)cs1 ZINC000828835788 604201650 /nfs/dbraw/zinc/20/16/50/604201650.db2.gz ICPSQBFDGKJQTP-GHMZBOCLSA-N -1 0 335.429 3.791 20 0 EHADRM COc1ccc(NCc2csc([C@@H](C)OC)n2)cc1NC(=O)[O-] ZINC000829480249 604201722 /nfs/dbraw/zinc/20/17/22/604201722.db2.gz UAEQWUMVGBZNEM-SECBINFHSA-N -1 0 337.401 3.561 20 0 EHADRM C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000825645977 604232404 /nfs/dbraw/zinc/23/24/04/604232404.db2.gz XHOOPRYXPSADFB-ZDUSSCGKSA-N -1 0 349.475 3.888 20 0 EHADRM C[C@H](OC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)c1ccc(F)c(Cl)c1 ZINC000825553592 604241437 /nfs/dbraw/zinc/24/14/37/604241437.db2.gz YZDYWVAPHYBQTG-GDPRMGEGSA-N -1 0 329.755 3.520 20 0 EHADRM C[C@H](OC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1)c1cnc2ccccc2c1 ZINC000825560135 604246805 /nfs/dbraw/zinc/24/68/05/604246805.db2.gz HNJRKAHDAVPCGY-JGGQBBKZSA-N -1 0 342.395 3.665 20 0 EHADRM C/C=C(/C=C/C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1)CC ZINC000828542169 604263545 /nfs/dbraw/zinc/26/35/45/604263545.db2.gz JCBJXGZVEZDHQQ-WPEBFHEOSA-N -1 0 337.366 3.681 20 0 EHADRM Cc1ccc(OCCCC(=O)NC(C)(C)CCC(=O)[O-])c(Cl)c1 ZINC000832952673 604271403 /nfs/dbraw/zinc/27/14/03/604271403.db2.gz YHJNAHPJPYQESL-UHFFFAOYSA-N -1 0 341.835 3.567 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCSc3ccccc32)cc1F ZINC000833310601 604274877 /nfs/dbraw/zinc/27/48/77/604274877.db2.gz XRSZQIJTNPJBOG-UHFFFAOYSA-N -1 0 331.368 3.667 20 0 EHADRM CC(C)n1cc2cc(NC(=O)c3ccc(C(=O)[O-])c(F)c3)ccc2n1 ZINC000827186455 604276581 /nfs/dbraw/zinc/27/65/81/604276581.db2.gz JEGHOBUALSVGFC-UHFFFAOYSA-N -1 0 341.342 3.707 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc(-c2ccco2)s1)c1ccccc1 ZINC000833245454 604283865 /nfs/dbraw/zinc/28/38/65/604283865.db2.gz BNYDUGLLPXSHPQ-UHFFFAOYSA-N -1 0 327.361 3.740 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC000828193098 604294612 /nfs/dbraw/zinc/29/46/12/604294612.db2.gz SPZAHTFAYILKKD-GTNSWQLSSA-N -1 0 345.345 3.886 20 0 EHADRM C[C@H](CC(=O)N(C)[C@H]1CCc2ccccc21)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824550471 604297593 /nfs/dbraw/zinc/29/75/93/604297593.db2.gz GOYHRRZAFJNKEA-KYJSFNMBSA-N -1 0 344.455 3.549 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000832958778 604319294 /nfs/dbraw/zinc/31/92/94/604319294.db2.gz UZXKBGIMJPCZCR-UHFFFAOYSA-N -1 0 326.327 3.874 20 0 EHADRM C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000827585888 604325392 /nfs/dbraw/zinc/32/53/92/604325392.db2.gz CJDIIEZFCAWYAT-LBPRGKRZSA-N -1 0 343.383 3.577 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)Nc1cccc(F)c1F)c1ccccc1 ZINC000826102839 604328087 /nfs/dbraw/zinc/32/80/87/604328087.db2.gz JOUIWSQIHDSLHS-OAHLLOKOSA-N -1 0 348.349 3.938 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)C[C@@H](C)[C@@H]2CCCN(C(=O)[O-])C2)o1 ZINC000830283510 604356893 /nfs/dbraw/zinc/35/68/93/604356893.db2.gz WYAPLHAYCGCROY-BMFZPTHFSA-N -1 0 348.443 3.668 20 0 EHADRM Cc1nc([C@@H](C)N2CC[C@@H](NC(=O)[O-])C2)oc1-c1ccc(Cl)cc1 ZINC000830709838 604369328 /nfs/dbraw/zinc/36/93/28/604369328.db2.gz UDBZSHPNFYNJDX-BXUZGUMPSA-N -1 0 349.818 3.706 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N1CCc2cccc(F)c21)C(=O)[O-] ZINC000827914583 604373151 /nfs/dbraw/zinc/37/31/51/604373151.db2.gz AHJAQJKUQUNOOJ-LLVKDONJSA-N -1 0 345.395 3.594 20 0 EHADRM C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1c1ccc(C(=O)[O-])nn1 ZINC000566071488 604373165 /nfs/dbraw/zinc/37/31/65/604373165.db2.gz OVONVHFPCPVNIM-MRVPVSSYSA-N -1 0 338.194 3.605 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)/C=C/c1ccccc1F)c1ccccc1 ZINC000826090190 604374703 /nfs/dbraw/zinc/37/47/03/604374703.db2.gz QSBLFDYXZSPAPQ-HHNLSAEISA-N -1 0 341.382 3.807 20 0 EHADRM CC(C)CCSCC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000826860774 604375091 /nfs/dbraw/zinc/37/50/91/604375091.db2.gz GYBZFOFTVWUFDC-INIZCTEOSA-N -1 0 337.485 3.734 20 0 EHADRM CC(=O)c1cccc(C(=O)Oc2cc3ccccc3cc2C(=O)[O-])c1 ZINC000825960173 604376276 /nfs/dbraw/zinc/37/62/76/604376276.db2.gz GCDNGIIVCPIMDB-UHFFFAOYSA-N -1 0 334.327 3.960 20 0 EHADRM C[C@H](CC(=O)N1CC[C@@H]1c1cccc(F)c1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824572840 604384857 /nfs/dbraw/zinc/38/48/57/604384857.db2.gz QICUODONOHXZPD-UKPHBRMFSA-N -1 0 348.418 3.515 20 0 EHADRM C[C@@H](OC1CCCCCC1)c1nc([C@@H](C)CN(C)C(=O)[O-])no1 ZINC000824901933 604423601 /nfs/dbraw/zinc/42/36/01/604423601.db2.gz JLSWIWQQXKSGMW-NWDGAFQWSA-N -1 0 325.409 3.583 20 0 EHADRM CN(Cc1ncc(-c2cccc(Cl)c2)o1)C1(C(=O)[O-])CCCC1 ZINC000324433139 604460751 /nfs/dbraw/zinc/46/07/51/604460751.db2.gz UPHYHZGKCINRRK-UHFFFAOYSA-N -1 0 334.803 3.824 20 0 EHADRM CC(C)(C)c1ncc(C(=O)OC2CCC(CC(=O)[O-])CC2)s1 ZINC000833450408 604495190 /nfs/dbraw/zinc/49/51/90/604495190.db2.gz AGJKVENOUXIIHL-UHFFFAOYSA-N -1 0 325.430 3.631 20 0 EHADRM O=C([O-])c1csc(NC(=O)N2CCc3c(Cl)cccc3C2)c1 ZINC000833342568 604499122 /nfs/dbraw/zinc/49/91/22/604499122.db2.gz MXZMDEDTTDYJTM-UHFFFAOYSA-N -1 0 336.800 3.690 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@@H]1CC(=O)[O-])c1csc2ccccc21 ZINC000827654068 604509875 /nfs/dbraw/zinc/50/98/75/604509875.db2.gz XUYAFROPZJZZFQ-NWDGAFQWSA-N -1 0 332.425 3.611 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)N1CCC[C@H]1C1CCC1)c1ccccc1 ZINC000826094980 604518412 /nfs/dbraw/zinc/51/84/12/604518412.db2.gz GJKMATLSXNAQOE-DLBZAZTESA-N -1 0 344.455 3.813 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)Nc2c(F)cccc2F)cc1 ZINC000825389288 604524675 /nfs/dbraw/zinc/52/46/75/604524675.db2.gz PLISAGRWZCTLRX-JTQLQIEISA-N -1 0 349.337 3.615 20 0 EHADRM Cc1ccc(F)cc1NC(=O)NCc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000830333487 604525576 /nfs/dbraw/zinc/52/55/76/604525576.db2.gz XWFKXDMLQOVJSA-LBPRGKRZSA-N -1 0 345.374 3.784 20 0 EHADRM Cc1ccc(F)c(NC(=O)NCc2ccc([C@H](C)NC(=O)[O-])cc2)c1 ZINC000830329299 604527174 /nfs/dbraw/zinc/52/71/74/604527174.db2.gz QTUZTHPRHXRSOI-LBPRGKRZSA-N -1 0 345.374 3.784 20 0 EHADRM CCCN(CC(F)F)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000829482229 604529969 /nfs/dbraw/zinc/52/99/69/604529969.db2.gz LUSQDWRDXDTFKX-AWEZNQCLSA-N -1 0 342.386 3.525 20 0 EHADRM CC(C)Cn1ncc(C(=O)Nc2cccc(NC(=O)[O-])c2)c1C1CC1 ZINC000833494688 604535059 /nfs/dbraw/zinc/53/50/59/604535059.db2.gz WOYSJKMNRBBPAZ-UHFFFAOYSA-N -1 0 342.399 3.759 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)Cc2c[nH]c3ccccc23)oc1C(=O)[O-] ZINC000832872517 604545019 /nfs/dbraw/zinc/54/50/19/604545019.db2.gz PPKWFIDVGRWYBC-LLVKDONJSA-N -1 0 327.336 3.614 20 0 EHADRM CC(C)(C)Oc1cccc(COC(=O)c2ccc(NC(=O)[O-])cc2)n1 ZINC000833446836 604551742 /nfs/dbraw/zinc/55/17/42/604551742.db2.gz HUCAWOQRLPZQKT-UHFFFAOYSA-N -1 0 344.367 3.706 20 0 EHADRM Cc1cc([C@H](C)OC(=O)CCc2nc3ccccc3o2)oc1C(=O)[O-] ZINC000832872093 604556704 /nfs/dbraw/zinc/55/67/04/604556704.db2.gz LYTGKRYMAZHJRD-NSHDSACASA-N -1 0 343.335 3.664 20 0 EHADRM CCOCCC1(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CCC1 ZINC000191012587 604556780 /nfs/dbraw/zinc/55/67/80/604556780.db2.gz RDVRLNGRAZDSLC-UHFFFAOYSA-N -1 0 325.792 3.574 20 0 EHADRM C[C@@H](NC(=O)NCCc1cccc(C(=O)[O-])c1)c1ccccc1Cl ZINC000325050557 604557081 /nfs/dbraw/zinc/55/70/81/604557081.db2.gz PIQSGXGSWOMNNW-GFCCVEGCSA-N -1 0 346.814 3.641 20 0 EHADRM Cc1cc([C@H](C)OC(=O)CCSC(F)(F)F)oc1C(=O)[O-] ZINC000832871460 604566713 /nfs/dbraw/zinc/56/67/13/604566713.db2.gz HHQJQPAXTWABHG-ZETCQYMHSA-N -1 0 326.292 3.534 20 0 EHADRM CC1=CCN(C(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000833580095 604572233 /nfs/dbraw/zinc/57/22/33/604572233.db2.gz SDOCUOVATOUCJR-UHFFFAOYSA-N -1 0 328.290 3.588 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)C2(c3cccc(C)c3)CC2)oc1C(=O)[O-] ZINC000832966405 604573722 /nfs/dbraw/zinc/57/37/22/604573722.db2.gz VYUKFXBFKUWLFR-CYBMUJFWSA-N -1 0 328.364 3.931 20 0 EHADRM CC(C)c1cc(C(=O)Nc2cccc(SCCC(=O)[O-])c2)on1 ZINC000833509787 604574474 /nfs/dbraw/zinc/57/44/74/604574474.db2.gz SDBGQPLIYVDCPW-UHFFFAOYSA-N -1 0 334.397 3.617 20 0 EHADRM CC[C@@H](C(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1)c1c(C)noc1C ZINC000828604272 604576123 /nfs/dbraw/zinc/57/61/23/604576123.db2.gz YXZBVVJRIIKXPX-ZYHUDNBSSA-N -1 0 335.356 3.689 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2sccc2OC(F)F)oc1C(=O)[O-] ZINC000832873174 604581301 /nfs/dbraw/zinc/58/13/01/604581301.db2.gz HEXOXKIBMXCZCY-SSDOTTSWSA-N -1 0 346.307 3.867 20 0 EHADRM COc1ccc([C@@H](C)C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC000832216608 604583533 /nfs/dbraw/zinc/58/35/33/604583533.db2.gz CHORFXQYDMRFAZ-NEPJUHHUSA-N -1 0 332.352 3.703 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2ncoc2-c2ccccc2)oc1C(=O)[O-] ZINC000832873104 604585884 /nfs/dbraw/zinc/58/58/84/604585884.db2.gz GHTNIBKGKHMWQY-NSHDSACASA-N -1 0 341.319 3.859 20 0 EHADRM C[C@@H]1CC[C@H](C)N(C(=O)Nc2cccc(SCCC(=O)[O-])c2)C1 ZINC000833601988 604590347 /nfs/dbraw/zinc/59/03/47/604590347.db2.gz GKUCIBLEFVYZSG-OLZOCXBDSA-N -1 0 336.457 3.906 20 0 EHADRM CC(=O)[C@@H](C)CCCCC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000825809317 604592187 /nfs/dbraw/zinc/59/21/87/604592187.db2.gz SRLSAGYUTNHWML-JTQLQIEISA-N -1 0 325.792 3.762 20 0 EHADRM COc1ccc(C(C)(C)C(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC000832216730 604614595 /nfs/dbraw/zinc/61/45/95/604614595.db2.gz KWQOFKHPZGJMIH-NSHDSACASA-N -1 0 332.352 3.568 20 0 EHADRM CCN(C(=O)NCc1ccc([C@@H](C)NC(=O)[O-])cc1)[C@@H](C)C(C)C ZINC000826980438 604620695 /nfs/dbraw/zinc/62/06/95/604620695.db2.gz VHNJKAXPYYIIQH-KGLIPLIRSA-N -1 0 335.448 3.591 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(Oc3ccc(Cl)nc3)c12 ZINC000833002771 604635299 /nfs/dbraw/zinc/63/52/99/604635299.db2.gz GNZJOQRRQQDBKZ-UHFFFAOYSA-N -1 0 335.772 3.847 20 0 EHADRM O=C([O-])c1sc(N[C@H]2CCOC3(CCCCC3)C2)nc1Cl ZINC000833347202 604648562 /nfs/dbraw/zinc/64/85/62/604648562.db2.gz YAFJSMVWKRIPEP-VIFPVBQESA-N -1 0 330.837 3.789 20 0 EHADRM O=C([O-])c1cc(CN2CCSC[C@H]2c2ccc(Cl)cc2)c[nH]1 ZINC000833779599 604656818 /nfs/dbraw/zinc/65/68/18/604656818.db2.gz NULUYFRJDHBYBP-HNNXBMFYSA-N -1 0 336.844 3.656 20 0 EHADRM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000832856000 604665992 /nfs/dbraw/zinc/66/59/92/604665992.db2.gz LCEQWGKZLDZLQK-HUUCEWRRSA-N -1 0 332.444 3.531 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@H]1c1ccccc1)C1CCN(C(=O)[O-])CC1 ZINC000824579654 604667310 /nfs/dbraw/zinc/66/73/10/604667310.db2.gz DQONTSKRDZUJLV-QAPCUYQASA-N -1 0 344.455 3.766 20 0 EHADRM CCc1ccc(CN(C(=O)Cc2cccc(C(=O)[O-])c2)C2CC2)cc1 ZINC000538576338 604680103 /nfs/dbraw/zinc/68/01/03/604680103.db2.gz ZQMPIHRLPRSCBX-UHFFFAOYSA-N -1 0 337.419 3.681 20 0 EHADRM Cc1cc([C@H](C)OC(=O)Cc2ccc(F)cc2Cl)oc1C(=O)[O-] ZINC000832872813 604691658 /nfs/dbraw/zinc/69/16/58/604691658.db2.gz WMGUXNBWYKINBX-VIFPVBQESA-N -1 0 340.734 3.926 20 0 EHADRM CC(C)N(C)c1ccc(NC(=O)Cc2cccc(C(=O)[O-])c2)cc1F ZINC000833496175 604716431 /nfs/dbraw/zinc/71/64/31/604716431.db2.gz WKCQAEQOTOXDDZ-UHFFFAOYSA-N -1 0 344.386 3.550 20 0 EHADRM CN(C(=O)c1ccc2c(c1)Cc1ccccc1-2)C1(C(=O)[O-])CCCC1 ZINC000830532886 604723518 /nfs/dbraw/zinc/72/35/18/604723518.db2.gz GUUWYVINNCOIMD-UHFFFAOYSA-N -1 0 335.403 3.727 20 0 EHADRM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)C1CCC(C(=O)[O-])CC1 ZINC000262688929 604742421 /nfs/dbraw/zinc/74/24/21/604742421.db2.gz DKKKTPIJQURIMM-FEPKRQSRSA-N -1 0 333.403 3.551 20 0 EHADRM C[C@H](CC(=O)[O-])SCCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000827386719 604744330 /nfs/dbraw/zinc/74/43/30/604744330.db2.gz WWEYOUVJBFBYFP-SECBINFHSA-N -1 0 335.347 3.630 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000262777764 604749411 /nfs/dbraw/zinc/74/94/11/604749411.db2.gz LYQAHVJCLZAVLZ-YJBOKZPZSA-N -1 0 337.419 3.722 20 0 EHADRM C[C@H](SCc1ccc(C(=O)[O-])cc1F)C(=O)Nc1ccccc1 ZINC000833542136 604757270 /nfs/dbraw/zinc/75/72/70/604757270.db2.gz GHKVGIURWQFQGO-NSHDSACASA-N -1 0 333.384 3.784 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N[C@@H](CC1CC1)c1ccccc1 ZINC000833764032 604763782 /nfs/dbraw/zinc/76/37/82/604763782.db2.gz SQQNAFISNDSRSV-IBGZPJMESA-N -1 0 337.419 3.975 20 0 EHADRM CC(C)[C@H](OC(=O)CCc1ccccc1C(=O)[O-])c1ccccn1 ZINC000833470715 604777395 /nfs/dbraw/zinc/77/73/95/604777395.db2.gz BVSNDKMSGOLJFE-SFHVURJKSA-N -1 0 327.380 3.653 20 0 EHADRM C[C@H](c1cc2ccccc2o1)N(C)C(=O)Cc1ccccc1C(=O)[O-] ZINC000327948253 604780582 /nfs/dbraw/zinc/78/05/82/604780582.db2.gz JSPIHQQTEDHRMR-CYBMUJFWSA-N -1 0 337.375 3.893 20 0 EHADRM C/C(=C/c1cccc(Cl)c1)C(=O)N(C)c1ncc(C(=O)[O-])s1 ZINC000833386771 604784237 /nfs/dbraw/zinc/78/42/37/604784237.db2.gz RYYVBQCSLCMDJH-TWGQIWQCSA-N -1 0 336.800 3.561 20 0 EHADRM CC(C)[C@H](c1ccccc1)N(C)C(=O)Cc1ccccc1C(=O)[O-] ZINC000262195057 604785650 /nfs/dbraw/zinc/78/56/50/604785650.db2.gz NVSRATORHPYJTP-LJQANCHMSA-N -1 0 325.408 3.783 20 0 EHADRM C[C@H](CC(=O)N1CCc2ccc(C(=O)[O-])cc2C1)c1ccccc1F ZINC000262272899 604810785 /nfs/dbraw/zinc/81/07/85/604810785.db2.gz YHNMCXKRQFWZRU-CYBMUJFWSA-N -1 0 341.382 3.602 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N[C@@H]1CC12CCCCC2)C(=O)[O-] ZINC000192972624 604818216 /nfs/dbraw/zinc/81/82/16/604818216.db2.gz TUUGKLLJOAYABE-IUODEOHRSA-N -1 0 333.453 3.704 20 0 EHADRM CC(C)[C@H](OC(=O)CCCNC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000826722169 604819975 /nfs/dbraw/zinc/81/99/75/604819975.db2.gz FPAGNQFMXLUMKI-AWEZNQCLSA-N -1 0 347.333 3.994 20 0 EHADRM C[C@H](OC(=O)c1ccc(C(=O)[O-])c(F)c1)c1c(F)cc(F)cc1F ZINC000827854304 604820745 /nfs/dbraw/zinc/82/07/45/604820745.db2.gz VBGWHEGBKJACRR-ZETCQYMHSA-N -1 0 342.244 3.859 20 0 EHADRM C[C@H](CSCc1ccccc1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000827580499 604827329 /nfs/dbraw/zinc/82/73/29/604827329.db2.gz CWROACYVNRVEEJ-CQSZACIVSA-N -1 0 343.448 3.822 20 0 EHADRM Cc1ccccc1Sc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000832981353 604827581 /nfs/dbraw/zinc/82/75/81/604827581.db2.gz AIXVFQSEIGQVIZ-OAHLLOKOSA-N -1 0 341.432 3.693 20 0 EHADRM C[C@H](CSCc1ccccc1)C(=O)OCc1cc(C(=O)[O-])co1 ZINC000827581706 604841916 /nfs/dbraw/zinc/84/19/16/604841916.db2.gz PVAHXZBQZFPLKZ-GFCCVEGCSA-N -1 0 334.393 3.591 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N[C@@H]2CC23CCCCC3)cc1 ZINC000387213875 604849096 /nfs/dbraw/zinc/84/90/96/604849096.db2.gz YSMJJPXRAXGZGT-OAHLLOKOSA-N -1 0 330.428 3.893 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2ccc3c(c2)CCC3)cc1Cl ZINC000238010711 604850974 /nfs/dbraw/zinc/85/09/74/604850974.db2.gz ZMBKGZMGOLILQZ-UHFFFAOYSA-N -1 0 345.782 3.544 20 0 EHADRM C[C@H]1CCC[C@@H](C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)C1 ZINC000237514213 604851313 /nfs/dbraw/zinc/85/13/13/604851313.db2.gz QUUNDDPYDRBSFS-WDEREUQCSA-N -1 0 325.792 3.568 20 0 EHADRM CC(C)[C@H](OC(=O)c1ccc(C(=O)[O-])c(F)c1)C(=O)c1ccccc1 ZINC000826723424 604853714 /nfs/dbraw/zinc/85/37/14/604853714.db2.gz UEWOBXYCNOFQSP-KRWDZBQOSA-N -1 0 344.338 3.588 20 0 EHADRM C[C@H](CC(=O)N1CCC(CC(=O)[O-])CC1)Cc1ccc(Cl)cc1 ZINC000263238522 604860322 /nfs/dbraw/zinc/86/03/22/604860322.db2.gz FJXKSEIKEJXXLM-ZDUSSCGKSA-N -1 0 337.847 3.622 20 0 EHADRM C[C@@H](CC(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21)c1cccc(F)c1 ZINC000669435180 604860335 /nfs/dbraw/zinc/86/03/35/604860335.db2.gz XBXOKSXCQUBWJQ-SUMWQHHRSA-N -1 0 341.382 3.924 20 0 EHADRM Cc1ccc(C)c(SCC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c1 ZINC000013223909 604863593 /nfs/dbraw/zinc/86/35/93/604863593.db2.gz IZKAFCPATZQTBU-INIZCTEOSA-N -1 0 343.448 3.728 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)/C=C/c1ccccc1Cl)c1ccccc1 ZINC000013224142 604866156 /nfs/dbraw/zinc/86/61/56/604866156.db2.gz XDXPLSPFYZNGKM-SIFUEBAJSA-N -1 0 329.783 3.685 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000013224957 604881868 /nfs/dbraw/zinc/88/18/68/604881868.db2.gz FEOXZRCCBVKVEZ-AWEZNQCLSA-N -1 0 338.190 3.939 20 0 EHADRM CC(C)COc1cccc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)c1 ZINC000236696831 604881897 /nfs/dbraw/zinc/88/18/97/604881897.db2.gz ZLVIHEDUBHFMAM-GOSISDBHSA-N -1 0 341.407 3.667 20 0 EHADRM CSC[C@@H](C)C(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000833737809 604882718 /nfs/dbraw/zinc/88/27/18/604882718.db2.gz GIFZUYURLVVAPH-LDYMZIIASA-N -1 0 336.331 3.531 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)c(C)n1C(C)C ZINC000679104006 604884033 /nfs/dbraw/zinc/88/40/33/604884033.db2.gz OHXFXTXSJGBLPH-HNNXBMFYSA-N -1 0 334.460 3.649 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000325370626 604888085 /nfs/dbraw/zinc/88/80/85/604888085.db2.gz PHLPQTWDUPSCIK-RWMBFGLXSA-N -1 0 349.393 3.705 20 0 EHADRM C[C@]1(NC(=O)c2cc(Cl)ccc2Cl)CCCC[C@@H]1C(=O)[O-] ZINC000262782478 604891624 /nfs/dbraw/zinc/89/16/24/604891624.db2.gz MGJLIAMKYWKQJC-ABAIWWIYSA-N -1 0 330.211 3.757 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000679103569 604894979 /nfs/dbraw/zinc/89/49/79/604894979.db2.gz FYOMLRMWIZGWKA-HNNXBMFYSA-N -1 0 347.455 3.827 20 0 EHADRM CC(C)COc1ccccc1C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833490667 604895514 /nfs/dbraw/zinc/89/55/14/604895514.db2.gz NITWQYQRNSIZDF-OAHLLOKOSA-N -1 0 347.455 3.684 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000679103168 604896525 /nfs/dbraw/zinc/89/65/25/604896525.db2.gz AICMZKXJOOAGHN-RHSMWYFYSA-N -1 0 331.456 3.702 20 0 EHADRM CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc(C(=O)[O-])c2C)c1 ZINC000683303631 604914246 /nfs/dbraw/zinc/91/42/46/604914246.db2.gz GVGVPLQQQXRUST-UHFFFAOYSA-N -1 0 346.770 3.557 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)OC[C@@H](C)C(F)(F)F)C(=O)[O-] ZINC000833545085 604937776 /nfs/dbraw/zinc/93/77/76/604937776.db2.gz NMDGLFHNGXEAQZ-RKDXNWHRSA-N -1 0 336.331 3.607 20 0 EHADRM CC(C)Oc1ccccc1[C@@H](C)NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000827062879 604939928 /nfs/dbraw/zinc/93/99/28/604939928.db2.gz HVKRWGGMRHCISZ-GFCCVEGCSA-N -1 0 345.370 3.802 20 0 EHADRM Cc1cccc(C)c1Oc1ccccc1NC(=O)[C@H](C)NC(=O)[O-] ZINC000833752128 604950511 /nfs/dbraw/zinc/95/05/11/604950511.db2.gz ADMMQEGURJFUGZ-ZDUSSCGKSA-N -1 0 328.368 3.690 20 0 EHADRM C[C@@]1(NC(=O)c2ccc(F)cc2C(F)(F)F)CCCC[C@@H]1C(=O)[O-] ZINC000833566808 604958143 /nfs/dbraw/zinc/95/81/43/604958143.db2.gz AIXYXSJDCFNCNZ-IAQYHMDHSA-N -1 0 347.308 3.608 20 0 EHADRM C[C@@]1(NC(=O)c2cccc(C(F)(F)F)c2F)CCCC[C@H]1C(=O)[O-] ZINC000833573901 604965763 /nfs/dbraw/zinc/96/57/63/604965763.db2.gz WUWHRVSYBPRLTR-XHDPSFHLSA-N -1 0 347.308 3.608 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000827062557 604975249 /nfs/dbraw/zinc/97/52/49/604975249.db2.gz DHAAYZPQGNATCI-UHFFFAOYSA-N -1 0 349.412 3.592 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)N[C@@H](c2ccccc2)C2CC2)C1 ZINC000833413686 604975806 /nfs/dbraw/zinc/97/58/06/604975806.db2.gz FBCROMRLRPFZSR-IRXDYDNUSA-N -1 0 344.455 3.670 20 0 EHADRM CN(Cc1ccc(Cl)cc1Cl)[C@H](C(=O)[O-])c1cccnc1 ZINC000830825465 604985994 /nfs/dbraw/zinc/98/59/94/604985994.db2.gz XTEYAIHBWKXIIK-AWEZNQCLSA-N -1 0 325.195 3.646 20 0 EHADRM COc1ccc(N[C@H](C(=O)[O-])c2cccnc2)cc1Cc1ccccc1 ZINC000832408631 604989169 /nfs/dbraw/zinc/98/91/69/604989169.db2.gz YELOMBSANDXNAS-FQEVSTJZSA-N -1 0 348.402 3.919 20 0 EHADRM CCc1nc(NC(=O)C[C@H](C)c2ccc(OC)cc2)sc1C(=O)[O-] ZINC000833676703 604994437 /nfs/dbraw/zinc/99/44/37/604994437.db2.gz TULHHNPMCHPLGP-JTQLQIEISA-N -1 0 348.424 3.545 20 0 EHADRM CCc1nc(NC(=O)[C@@H](C)c2cccc(Cl)c2)sc1C(=O)[O-] ZINC000833674636 604997864 /nfs/dbraw/zinc/99/78/64/604997864.db2.gz SAPBUCUDLKYHAU-QMMMGPOBSA-N -1 0 338.816 3.799 20 0 EHADRM Cc1scc(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c1C ZINC000263546847 605015270 /nfs/dbraw/zinc/01/52/70/605015270.db2.gz UMJSPSSQTCCCSO-HNNXBMFYSA-N -1 0 331.437 3.571 20 0 EHADRM C[C@@H]1C[C@@H]1[C@H](NC(=O)c1cncc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000833605592 605031832 /nfs/dbraw/zinc/03/18/32/605031832.db2.gz QVSIGUPILPFLKE-HPEXNQPKSA-N -1 0 344.798 3.560 20 0 EHADRM C[C@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1)c1c(F)cccc1F ZINC000833407626 605035881 /nfs/dbraw/zinc/03/58/81/605035881.db2.gz UFBBSYQPRJQWDP-BJOHPYRUSA-N -1 0 338.281 3.577 20 0 EHADRM CCCCn1ncc(NCc2cc(C)c(OCC(=O)[O-])c(C)c2)c1C ZINC000833651204 605063080 /nfs/dbraw/zinc/06/30/80/605063080.db2.gz GZCGUVFACZGRQA-UHFFFAOYSA-N -1 0 345.443 3.684 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000798215431 605067213 /nfs/dbraw/zinc/06/72/13/605067213.db2.gz ZSGHTTXORFUXMR-UHFFFAOYSA-N -1 0 347.411 3.948 20 0 EHADRM CC(C)(C)c1ccc(C(=O)COC(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000833450140 605073084 /nfs/dbraw/zinc/07/30/84/605073084.db2.gz HTMPAOSTQFWEQV-UHFFFAOYSA-N -1 0 346.423 3.601 20 0 EHADRM CC(C)Oc1ccccc1[C@H](C)NC(=O)C1CCC(C(=O)[O-])CC1 ZINC000684772266 605081675 /nfs/dbraw/zinc/08/16/75/605081675.db2.gz ZQQKLHKNLZIMBC-NFOMZHRRSA-N -1 0 333.428 3.542 20 0 EHADRM COc1c(Cl)cc(NC(=O)C2CCC(C(=O)[O-])CC2)cc1Cl ZINC000262751942 605083978 /nfs/dbraw/zinc/08/39/78/605083978.db2.gz YDZTYBIBMDUTAE-UHFFFAOYSA-N -1 0 346.210 3.832 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000833497197 605086077 /nfs/dbraw/zinc/08/60/77/605086077.db2.gz URFDGNFOQGWRST-UHFFFAOYSA-N -1 0 337.725 3.684 20 0 EHADRM C[C@@H]1CC[C@]2(CCN(C(=O)Nc3ccc(F)c(NC(=O)[O-])c3)C2)C1 ZINC000833610195 605096031 /nfs/dbraw/zinc/09/60/31/605096031.db2.gz JPKMWNINUIWXCU-DIFFPNOSSA-N -1 0 335.379 3.960 20 0 EHADRM CC1(C)CCC(CSCc2noc(CCCC(=O)[O-])n2)CC1 ZINC000833557413 605103780 /nfs/dbraw/zinc/10/37/80/605103780.db2.gz RQJSEBBFWCOOFP-UHFFFAOYSA-N -1 0 326.462 3.927 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NC(C)(c1ccccc1)c1ccccc1 ZINC000190638472 605106897 /nfs/dbraw/zinc/10/68/97/605106897.db2.gz CMXQWDCZSZGMSH-UHFFFAOYSA-N -1 0 339.435 3.957 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1cc(Cl)ccc1Br ZINC000129905206 605110147 /nfs/dbraw/zinc/11/01/47/605110147.db2.gz NRNVXXXZSNZIPX-UHFFFAOYSA-N -1 0 348.624 3.932 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000630301201 605110176 /nfs/dbraw/zinc/11/01/76/605110176.db2.gz HWTGVRNLLQTXOC-HNNXBMFYSA-N -1 0 339.382 3.909 20 0 EHADRM CCCN(C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-])C1CC1 ZINC000320988570 605135222 /nfs/dbraw/zinc/13/52/22/605135222.db2.gz OXSGXKTYJAUDTM-UHFFFAOYSA-N -1 0 330.306 3.810 20 0 EHADRM C[C@@H](CC(=O)N1CCc2cc(C(=O)[O-])ccc21)c1ccc(F)cc1F ZINC000761423068 605140369 /nfs/dbraw/zinc/14/03/69/605140369.db2.gz XXSWASOBOYWAEL-NSHDSACASA-N -1 0 345.345 3.746 20 0 EHADRM CC(C)CCC[S@](=O)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833481385 605147942 /nfs/dbraw/zinc/14/79/42/605147942.db2.gz SSNFPDIRLOUMFE-QHCPKHFHSA-N -1 0 335.425 3.725 20 0 EHADRM C[C@H]1CC[C@H](C(=O)OCc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC000833606727 605164027 /nfs/dbraw/zinc/16/40/27/605164027.db2.gz UUOXXSVZTBYJAC-FZMZJTMJSA-N -1 0 345.420 3.988 20 0 EHADRM CC(C)[C@@H](Sc1ccccc1)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000833472986 605166997 /nfs/dbraw/zinc/16/69/97/605166997.db2.gz YBUSTDMVUGNVTQ-OAHLLOKOSA-N -1 0 330.409 3.535 20 0 EHADRM C[C@@H](C(=O)Nc1cncc(C(=O)[O-])c1)c1ccccc1C(F)(F)F ZINC000833411093 605168259 /nfs/dbraw/zinc/16/82/59/605168259.db2.gz LQNIMJGSWIJFKK-SECBINFHSA-N -1 0 338.285 3.541 20 0 EHADRM CCC(CC)n1nccc1-c1nc([C@H](CC(C)C)NC(=O)[O-])no1 ZINC000826575502 605179153 /nfs/dbraw/zinc/17/91/53/605179153.db2.gz JNNTXIHXNUWBNC-LBPRGKRZSA-N -1 0 335.408 3.649 20 0 EHADRM CC[C@@H](NC(=O)Nc1cncc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC000833642696 605182139 /nfs/dbraw/zinc/18/21/39/605182139.db2.gz GWVRUXDDYIXNBG-CQSZACIVSA-N -1 0 333.775 3.706 20 0 EHADRM CC(C)COc1ccc(C(C)(C)CNc2cncc(C(=O)[O-])n2)cc1 ZINC000833489420 605182686 /nfs/dbraw/zinc/18/26/86/605182686.db2.gz VKVSHHUQPXZMHZ-UHFFFAOYSA-N -1 0 343.427 3.599 20 0 EHADRM CC(C)(C)c1cnc(CN[C@H](c2ccccc2)C(C)(C)C(=O)[O-])o1 ZINC000833449032 605183590 /nfs/dbraw/zinc/18/35/90/605183590.db2.gz FBMOHTFUPXWYQE-MRXNPFEDSA-N -1 0 330.428 3.914 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2cccc3ccccc32)c(C(=O)[O-])c1 ZINC000833750994 605184841 /nfs/dbraw/zinc/18/48/41/605184841.db2.gz LHKFWVBJYZJVGX-UHFFFAOYSA-N -1 0 341.388 3.647 20 0 EHADRM C[C@H](C(=O)OCc1coc(-c2ccc(C(=O)[O-])cc2)n1)C(C)(C)C ZINC000833409407 605186227 /nfs/dbraw/zinc/18/62/27/605186227.db2.gz LBSNGDJITIXELG-LLVKDONJSA-N -1 0 331.368 3.765 20 0 EHADRM CC(C)c1cc(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)cc(=O)[nH]1 ZINC000833509756 605215371 /nfs/dbraw/zinc/21/53/71/605215371.db2.gz RGDQDHVBYPSEDW-UHFFFAOYSA-N -1 0 334.759 3.515 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(F)c(Cl)c1F)c1ccccc1 ZINC000833772944 605216951 /nfs/dbraw/zinc/21/69/51/605216951.db2.gz NDLYLIPFOHKQFQ-LBPRGKRZSA-N -1 0 339.725 3.564 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000262857717 605231377 /nfs/dbraw/zinc/23/13/77/605231377.db2.gz UZICEAZLNSHBPD-HNNXBMFYSA-N -1 0 325.408 3.911 20 0 EHADRM CC(C)C[C@H](NC(=O)Cc1ccccc1C(=O)[O-])c1cccs1 ZINC000539676675 605237623 /nfs/dbraw/zinc/23/76/23/605237623.db2.gz HDZINLRQHIFOOI-HNNXBMFYSA-N -1 0 331.437 3.892 20 0 EHADRM CCn1ncc2ccc(NCc3cccc4c3N(C(=O)[O-])CC4)cc21 ZINC000827730441 605249605 /nfs/dbraw/zinc/24/96/05/605249605.db2.gz HYJRRWUCQFUAPE-UHFFFAOYSA-N -1 0 336.395 3.709 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)Cc2ccccc2C(=O)[O-])C1 ZINC000566893964 605251312 /nfs/dbraw/zinc/25/13/12/605251312.db2.gz HNQZMDQQSZHDSO-ACJLOTCBSA-N -1 0 341.382 3.676 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000431654211 605257325 /nfs/dbraw/zinc/25/73/25/605257325.db2.gz HAGLRMCJWCFRMV-HNNXBMFYSA-N -1 0 325.408 3.660 20 0 EHADRM C[C@H](c1cc(F)ccc1F)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000833546548 605293965 /nfs/dbraw/zinc/29/39/65/605293965.db2.gz IZUOSSOXSXKXTH-GFCCVEGCSA-N -1 0 335.350 3.621 20 0 EHADRM C[C@@H](CC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1)c1cccnc1 ZINC000833514172 605303161 /nfs/dbraw/zinc/30/31/61/605303161.db2.gz PODGQZACJXQJOI-XOBRGWDASA-N -1 0 348.402 3.671 20 0 EHADRM O=C([O-])NCCOc1ccc(NC(=O)Nc2ccccc2Cl)cc1 ZINC000834244378 605308526 /nfs/dbraw/zinc/30/85/26/605308526.db2.gz JJJKGTCHMPAGTB-UHFFFAOYSA-N -1 0 349.774 3.630 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)c2ccc(C)c(C)c2Cl)C(=O)[O-])cc1 ZINC000833749261 605308599 /nfs/dbraw/zinc/30/85/99/605308599.db2.gz OKNYDHJWQHTCPQ-MRXNPFEDSA-N -1 0 345.826 3.863 20 0 EHADRM C/C(=C/C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000833382221 605308866 /nfs/dbraw/zinc/30/88/66/605308866.db2.gz LILKSKKBBNHRRR-GDAGCXPBSA-N -1 0 341.329 3.694 20 0 EHADRM COCCC[C@@H](C)C(=O)O[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000833725474 605314454 /nfs/dbraw/zinc/31/44/54/605314454.db2.gz ZGGVWRLOBWBEIB-RNCFNFMXSA-N -1 0 349.210 3.725 20 0 EHADRM C[C@@H](Cc1noc(Cc2ccc(Cl)cc2Cl)n1)N(C)C(=O)[O-] ZINC000825048451 605314980 /nfs/dbraw/zinc/31/49/80/605314980.db2.gz RVBURXSGLGJGCW-QMMMGPOBSA-N -1 0 344.198 3.508 20 0 EHADRM C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000833610433 605344139 /nfs/dbraw/zinc/34/41/39/605344139.db2.gz WHUVOQPISJOXIB-KOLCDFICSA-N -1 0 345.317 3.701 20 0 EHADRM C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000833610436 605344321 /nfs/dbraw/zinc/34/43/21/605344321.db2.gz WHUVOQPISJOXIB-MWLCHTKSSA-N -1 0 345.317 3.701 20 0 EHADRM CC(=O)CCc1ccc(OC(=O)c2ccc(NC(=O)[O-])c(C)c2)cc1 ZINC000823531525 605346354 /nfs/dbraw/zinc/34/63/54/605346354.db2.gz AJHZSZJLCAYBAA-UHFFFAOYSA-N -1 0 341.363 3.826 20 0 EHADRM C[C@@H](OC(=O)CCNC(=O)[O-])c1ccc(SC(F)(F)F)cc1 ZINC000833530375 605369568 /nfs/dbraw/zinc/36/95/68/605369568.db2.gz SQLLGCIWKIZEDT-MRVPVSSYSA-N -1 0 337.319 3.560 20 0 EHADRM CCC(CC)[C@H]1C[C@H](NC(=O)Nc2ccc(C)c(C(=O)[O-])c2)CCO1 ZINC000833642181 605398347 /nfs/dbraw/zinc/39/83/47/605398347.db2.gz HMMJTZRXSLZQBD-NVXWUHKLSA-N -1 0 348.443 3.799 20 0 EHADRM CCc1cc(NC(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)ccc1C ZINC000833671802 605401233 /nfs/dbraw/zinc/40/12/33/605401233.db2.gz PGFGNRNOMZSLFP-UHFFFAOYSA-N -1 0 330.384 3.821 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000191056128 605416603 /nfs/dbraw/zinc/41/66/03/605416603.db2.gz CQTCEADSTNTSPG-UHFFFAOYSA-N -1 0 337.734 3.828 20 0 EHADRM O=C([O-])N1CC[C@H](CCC(=O)N2CCCCC[C@@H]2c2ccco2)C1 ZINC000834073318 605476212 /nfs/dbraw/zinc/47/62/12/605476212.db2.gz CFLGUGRDMJCHFD-LSDHHAIUSA-N -1 0 334.416 3.503 20 0 EHADRM O=C(CC[C@@H]1CCCN1C(=O)[O-])Nc1ccc2nc(C3CC3)oc2c1 ZINC000833996664 605499753 /nfs/dbraw/zinc/49/97/53/605499753.db2.gz HZAAHHMPWOJXFV-ZDUSSCGKSA-N -1 0 343.383 3.566 20 0 EHADRM O=C([O-])NC1(CC(=O)Nc2cc(C(F)F)ccc2Cl)CCC1 ZINC000832211076 605529601 /nfs/dbraw/zinc/52/96/01/605529601.db2.gz LSIASDIKHZIQHQ-UHFFFAOYSA-N -1 0 332.734 3.797 20 0 EHADRM CCCN(C(=O)Nc1cccc2[nH]ccc21)C1CCN(C(=O)[O-])CC1 ZINC000826879895 605542505 /nfs/dbraw/zinc/54/25/05/605542505.db2.gz SDXABXVSAWELNW-UHFFFAOYSA-N -1 0 344.415 3.554 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N[C@@H](c2cccnc2)C2CC2)c1 ZINC000834260926 605550236 /nfs/dbraw/zinc/55/02/36/605550236.db2.gz CPGRTRXQUBSASR-OAHLLOKOSA-N -1 0 344.346 3.583 20 0 EHADRM C[C@@H](NC(=O)C[C@@H](NC(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000825102731 605567408 /nfs/dbraw/zinc/56/74/08/605567408.db2.gz WDURQRFPHDKUIB-BDJLRTHQSA-N -1 0 348.349 3.541 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@@H]2Cc2ccccc2)ccc1NC(=O)[O-] ZINC000829926143 605588275 /nfs/dbraw/zinc/58/82/75/605588275.db2.gz YDARZFPNTFDHKJ-QGZVFWFLSA-N -1 0 338.407 3.932 20 0 EHADRM Cc1cc(C(=O)N(C)c2nc3ccccc3o2)ccc1NC(=O)[O-] ZINC000829914366 605588463 /nfs/dbraw/zinc/58/84/63/605588463.db2.gz HPNTZLUQNMLNSD-UHFFFAOYSA-N -1 0 325.324 3.503 20 0 EHADRM CCc1cccc(C)c1NC(=O)C[C@@H](NC(=O)[O-])c1ccccc1 ZINC000827593414 605594788 /nfs/dbraw/zinc/59/47/88/605594788.db2.gz BVXTVBGDROSMCW-MRXNPFEDSA-N -1 0 326.396 3.895 20 0 EHADRM Cc1cc(C(=O)N[C@H](C)c2c(F)cccc2F)ccc1NC(=O)[O-] ZINC000829940100 605597309 /nfs/dbraw/zinc/59/73/09/605597309.db2.gz JWYUNSLXZYEEOG-SNVBAGLBSA-N -1 0 334.322 3.854 20 0 EHADRM Cc1cc(C(=O)N2CCCc3cc(F)ccc32)ccc1NC(=O)[O-] ZINC000829930576 605610215 /nfs/dbraw/zinc/61/02/15/605610215.db2.gz YDNQLJRJBJAJSH-UHFFFAOYSA-N -1 0 328.343 3.817 20 0 EHADRM CC[C@H](C)[C@H](C)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000833638122 605615783 /nfs/dbraw/zinc/61/57/83/605615783.db2.gz KROBPHGWSACRPX-IUCAKERBSA-N -1 0 328.206 3.768 20 0 EHADRM CC[C@@H](C)[C@@H](C)C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000833639006 605618249 /nfs/dbraw/zinc/61/82/49/605618249.db2.gz QDAGXAUMKYIZCC-HTQZYQBOSA-N -1 0 346.196 3.907 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)CC1 ZINC000566288211 605621655 /nfs/dbraw/zinc/62/16/55/605621655.db2.gz DQUJUFRDCJJTIT-CTYIDZIISA-N -1 0 344.455 3.736 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(-n3ccnc3)c2)ccc1NC(=O)[O-] ZINC000829965677 605625624 /nfs/dbraw/zinc/62/56/24/605625624.db2.gz DGFCZHPHDVWCRC-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC000834257230 605628445 /nfs/dbraw/zinc/62/84/45/605628445.db2.gz HIIGAPMWOMTLGR-OAHLLOKOSA-N -1 0 344.342 3.599 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000740045206 605677061 /nfs/dbraw/zinc/67/70/61/605677061.db2.gz DYOZRXWNTVAJKD-UHFFFAOYSA-N -1 0 330.306 3.627 20 0 EHADRM CCCN(C[C@@H]1CCCCO1)C(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000826907412 605679693 /nfs/dbraw/zinc/67/96/93/605679693.db2.gz OGDKJLXYLNYDQR-HNNXBMFYSA-N -1 0 334.416 3.506 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2csc(-c3ccccn3)n2)cc1 ZINC000834254788 605681761 /nfs/dbraw/zinc/68/17/61/605681761.db2.gz CYPODOARTGUUFL-UHFFFAOYSA-N -1 0 340.364 3.547 20 0 EHADRM Cc1cc(C(=O)N2CCOc3ccc(Cl)cc32)ccc1NC(=O)[O-] ZINC000829934069 605701790 /nfs/dbraw/zinc/70/17/90/605701790.db2.gz DZKMTRAVWPNTRH-UHFFFAOYSA-N -1 0 346.770 3.778 20 0 EHADRM O=C([O-])N1CCCCC[C@@H]1c1noc(C2CCC(F)(F)CC2)n1 ZINC000834108279 605721037 /nfs/dbraw/zinc/72/10/37/605721037.db2.gz NIVPLZMONMCUJD-LLVKDONJSA-N -1 0 329.347 3.958 20 0 EHADRM O=C([O-])N1CCCCC[C@@H]1c1noc(-c2cccc3cnccc32)n1 ZINC000834108742 605725151 /nfs/dbraw/zinc/72/51/51/605725151.db2.gz OZLAIBZEDBKWPL-OAHLLOKOSA-N -1 0 338.367 3.880 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)NCc2cc3ccccc3s2)c1 ZINC000834267021 605763942 /nfs/dbraw/zinc/76/39/42/605763942.db2.gz NWTNHXVQDDVXOA-UHFFFAOYSA-N -1 0 340.404 3.850 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N2CC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000834264394 605771792 /nfs/dbraw/zinc/77/17/92/605771792.db2.gz LMMRIVCQXGBHCM-MRXNPFEDSA-N -1 0 344.798 3.946 20 0 EHADRM CC1(C(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)CCCCCC1 ZINC000572408795 605790099 /nfs/dbraw/zinc/79/00/99/605790099.db2.gz LLKCJTLTJCTHIN-UHFFFAOYSA-N -1 0 330.428 3.634 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC000833459970 605804098 /nfs/dbraw/zinc/80/40/98/605804098.db2.gz OMRKWJWBUHRCDU-UHFFFAOYSA-N -1 0 330.355 3.627 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)C[C@H]2CCCc3ccccc32)c(F)c1 ZINC000833776540 605804978 /nfs/dbraw/zinc/80/49/78/605804978.db2.gz KWYHLMAETZDPLO-OAHLLOKOSA-N -1 0 342.366 3.868 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(O)c(Cl)c1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000833791374 605846591 /nfs/dbraw/zinc/84/65/91/605846591.db2.gz UYIRNCGIXRYAMU-BMIGLBTASA-N -1 0 348.786 3.629 20 0 EHADRM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)C1CCC(c2ccccc2)CC1 ZINC000825800999 605859578 /nfs/dbraw/zinc/85/95/78/605859578.db2.gz KCXQBNGXCMFXHJ-IWCVFHTOSA-N -1 0 344.455 3.608 20 0 EHADRM Cc1cc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)ccc1NC(=O)[O-] ZINC000829939682 605876269 /nfs/dbraw/zinc/87/62/69/605876269.db2.gz GOYQMYQSVQKRER-NEPJUHHUSA-N -1 0 344.333 3.936 20 0 EHADRM CCCN(C(=O)C/C=C\c1ccc(F)cc1)C1CCN(C(=O)[O-])CC1 ZINC000826857799 605880177 /nfs/dbraw/zinc/88/01/77/605880177.db2.gz JRQHWVMQACOSJL-ARJAWSKDSA-N -1 0 348.418 3.610 20 0 EHADRM CC(C)[C@H](NC(=O)CCCCNC(=O)[O-])c1ccc(Cl)cc1F ZINC000833792556 605931206 /nfs/dbraw/zinc/93/12/06/605931206.db2.gz JOCROYDLTYXFOL-HNNXBMFYSA-N -1 0 344.814 3.730 20 0 EHADRM O=C([O-])N[C@H](CC(F)F)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000834132730 606004078 /nfs/dbraw/zinc/00/40/78/606004078.db2.gz GAFQARGBAMKJIO-OAHLLOKOSA-N -1 0 348.349 3.507 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCc1cc(C(C)C)no1 ZINC000833906773 606010928 /nfs/dbraw/zinc/01/09/28/606010928.db2.gz LFVHNNWNIPWUKC-UHFFFAOYSA-N -1 0 332.360 3.518 20 0 EHADRM O=C([O-])N[C@@H](CC(F)F)C(=O)N(Cc1ccccc1)c1ccccc1 ZINC000834128186 606017221 /nfs/dbraw/zinc/01/72/21/606017221.db2.gz JGQZEQYKQRWHRY-HNNXBMFYSA-N -1 0 348.349 3.511 20 0 EHADRM O=C([O-])N1CCCc2cccc(OC[C@H](O)c3cc(F)ccc3F)c21 ZINC000834114370 606038282 /nfs/dbraw/zinc/03/82/82/606038282.db2.gz AYVXDRXWYRROGS-HNNXBMFYSA-N -1 0 349.333 3.508 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)NC[C@@H]1CCCc2ccccc21 ZINC000834274765 606045624 /nfs/dbraw/zinc/04/56/24/606045624.db2.gz YDHNEEHZCIMJHE-INIZCTEOSA-N -1 0 338.407 3.555 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)NCCc1cccc2ccccc21 ZINC000834274781 606047360 /nfs/dbraw/zinc/04/73/60/606047360.db2.gz YFJMBENOAPESML-UHFFFAOYSA-N -1 0 348.402 3.831 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N(Cc1ccccc1)CC(F)F ZINC000834271473 606066587 /nfs/dbraw/zinc/06/65/87/606066587.db2.gz SYLBMHURRZAQLH-UHFFFAOYSA-N -1 0 348.349 3.613 20 0 EHADRM Fc1cc(Cl)ccc1Oc1snc(Cl)c1-c1nnn[n-]1 ZINC000826372430 608171630 /nfs/dbraw/zinc/17/16/30/608171630.db2.gz VYQKXVBNIYYFHV-UHFFFAOYSA-N -1 0 332.147 3.561 20 0 EHADRM O=C([O-])C1(NC(=O)c2cc(Cl)ccc2Cl)CCCCCC1 ZINC000037367113 939031329 /nfs/dbraw/zinc/03/13/29/939031329.db2.gz FZRLJYVLFLDAJI-UHFFFAOYSA-N -1 0 330.211 3.901 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1coc2ccccc21)c1ccc(Cl)c(F)c1 ZINC000181906410 939034244 /nfs/dbraw/zinc/03/42/44/939034244.db2.gz VKODJEBEWHGUFA-OAHLLOKOSA-N -1 0 347.729 3.781 20 0 EHADRM Cc1c(C(=O)NC2(C(=O)[O-])CCCCC2)cccc1-c1ccccn1 ZINC000190485910 939034842 /nfs/dbraw/zinc/03/48/42/939034842.db2.gz DSDOJWSSGTWDHU-UHFFFAOYSA-N -1 0 338.407 3.574 20 0 EHADRM Cc1ccsc1C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000191478952 939037574 /nfs/dbraw/zinc/03/75/74/939037574.db2.gz FWJNAWXGAWFMRF-HNNXBMFYSA-N -1 0 325.389 3.765 20 0 EHADRM CC1CCC(NC(=O)CCCc2c[nH]c3ccccc23)(C(=O)[O-])CC1 ZINC000236797197 939044254 /nfs/dbraw/zinc/04/42/54/939044254.db2.gz VOWFQZIFASAVRP-UHFFFAOYSA-N -1 0 342.439 3.640 20 0 EHADRM CC1CCC(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)(C(=O)[O-])CC1 ZINC000236810474 939044864 /nfs/dbraw/zinc/04/48/64/939044864.db2.gz YFZPGXADDWUTTB-MTAPVWLGSA-N -1 0 335.831 3.593 20 0 EHADRM CC1CCC(NC(=O)Cc2ccc3ccccc3c2)(C(=O)[O-])CC1 ZINC000236804015 939044903 /nfs/dbraw/zinc/04/49/03/939044903.db2.gz STWYVMKTUPWRQT-UHFFFAOYSA-N -1 0 325.408 3.532 20 0 EHADRM Cc1cc2cc(NC(=O)N[C@@]3(C(=O)[O-])CCc4ccccc43)ccc2[nH]1 ZINC000684744137 939045921 /nfs/dbraw/zinc/04/59/21/939045921.db2.gz GPCZOMKROZRIMA-FQEVSTJZSA-N -1 0 349.390 3.524 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1ccc(Cl)c(F)c1)c1ccccc1F ZINC000684744748 939046334 /nfs/dbraw/zinc/04/63/34/939046334.db2.gz MICFIQYZVJMIEB-ZDUSSCGKSA-N -1 0 340.713 3.566 20 0 EHADRM CCc1cc(NC(=O)N[C@]2(C(=O)[O-])CCc3ccccc32)ccc1C ZINC000684748074 939050495 /nfs/dbraw/zinc/05/04/95/939050495.db2.gz HHVOVESWNUQFDR-HXUWFJFHSA-N -1 0 338.407 3.605 20 0 EHADRM O=C([O-])[C@]1(NC(=O)c2ccc(C3CCC3)cc2)CCc2ccccc21 ZINC000685019264 939052431 /nfs/dbraw/zinc/05/24/31/939052431.db2.gz ANMUSOGEXBYDRB-NRFANRHFSA-N -1 0 335.403 3.610 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1C ZINC000262951911 939088341 /nfs/dbraw/zinc/08/83/41/939088341.db2.gz HINGUQXIQNXTEG-QGZVFWFLSA-N -1 0 329.396 3.884 20 0 EHADRM CSc1ccc(C)c(C(=O)N[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)c1 ZINC000263003549 939092780 /nfs/dbraw/zinc/09/27/80/939092780.db2.gz PBLBOHCFGAKQCP-QGZVFWFLSA-N -1 0 343.448 3.889 20 0 EHADRM Cc1cccc([C@@H](NC(=O)[C@@H](C)c2c(F)cccc2F)C(=O)[O-])c1C ZINC000263023637 939093693 /nfs/dbraw/zinc/09/36/93/939093693.db2.gz MIBYCONBSKUTDW-YVEFUNNKSA-N -1 0 347.361 3.627 20 0 EHADRM C[C@](NC(=O)Nc1ccc(F)c(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC000320454226 939123702 /nfs/dbraw/zinc/12/37/02/939123702.db2.gz KGQAPZVOAPHEAP-MRXNPFEDSA-N -1 0 336.750 3.601 20 0 EHADRM CC1CCC(NC(=O)Cc2csc3ccccc23)(C(=O)[O-])CC1 ZINC000346001961 939128489 /nfs/dbraw/zinc/12/84/89/939128489.db2.gz WRVASTVGIABJEP-UHFFFAOYSA-N -1 0 331.437 3.594 20 0 EHADRM C[C@H](NC(=O)N[C@](C)(C(=O)[O-])c1ccccc1)[C@@H]1CC2CCC1CC2 ZINC000381755737 939132005 /nfs/dbraw/zinc/13/20/05/939132005.db2.gz WNCQSGWZOUQJMF-QQSHXOELSA-N -1 0 344.455 3.500 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)c(C)c1 ZINC000788316816 939148937 /nfs/dbraw/zinc/14/89/37/939148937.db2.gz AIWCKYXGBFTFTA-QGZVFWFLSA-N -1 0 326.396 3.868 20 0 EHADRM CC[C@](NC(=O)/C=C\c1ccsc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000795543334 939157904 /nfs/dbraw/zinc/15/79/04/939157904.db2.gz FHNXLUPZKMXKEN-MGEKVANASA-N -1 0 349.839 3.921 20 0 EHADRM COc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)c(C)c1 ZINC000431859435 939163027 /nfs/dbraw/zinc/16/30/27/939163027.db2.gz GEANUCAQGRXSSJ-LJQANCHMSA-N -1 0 349.386 3.713 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)cc1F ZINC000431867199 939164849 /nfs/dbraw/zinc/16/48/49/939164849.db2.gz YGIZVZGCKCJERL-GOSISDBHSA-N -1 0 337.350 3.843 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc2c(c1)CCC2)c1ccc2ccccc2c1 ZINC000431873250 939165784 /nfs/dbraw/zinc/16/57/84/939165784.db2.gz SQJXMWQPRAYYLA-FQEVSTJZSA-N -1 0 345.398 3.884 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)c1C ZINC000797725170 939188160 /nfs/dbraw/zinc/18/81/60/939188160.db2.gz VUACOVVKPGBOQG-MGPUTAFESA-N -1 0 340.423 3.664 20 0 EHADRM CC[C@H](CC(=O)NC1(C(=O)[O-])CCC(C)CC1)c1ccc(OC)cc1 ZINC000439912874 939203725 /nfs/dbraw/zinc/20/37/25/939203725.db2.gz RDCXHSFBAZDPNR-RDYUPDBUSA-N -1 0 347.455 3.729 20 0 EHADRM Cc1cccc(C)c1CC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000439921643 939203741 /nfs/dbraw/zinc/20/37/41/939203741.db2.gz OQCJJFAQXKXZCI-NRFANRHFSA-N -1 0 347.414 3.941 20 0 EHADRM CCSCc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccs2)cc1 ZINC000449000076 939207247 /nfs/dbraw/zinc/20/72/47/939207247.db2.gz YDWGXBMBNLNVTO-CQSZACIVSA-N -1 0 335.450 3.557 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000450525735 939208020 /nfs/dbraw/zinc/20/80/20/939208020.db2.gz SGSMWHXLZRYIIK-YGRLFVJLSA-N -1 0 337.828 3.522 20 0 EHADRM CC[C@](NC(=O)c1cccc2ccccc21)(C(=O)[O-])c1ccccc1 ZINC000485366663 939226753 /nfs/dbraw/zinc/22/67/53/939226753.db2.gz GGJGFQAUEPNAPJ-OAQYLSRUSA-N -1 0 333.387 3.960 20 0 EHADRM CCOCCCCCC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000864136295 939250621 /nfs/dbraw/zinc/25/06/21/939250621.db2.gz WFCJWTLWEQKXEJ-IBGZPJMESA-N -1 0 343.423 3.679 20 0 EHADRM Cc1cc(NC(=O)N[C@@H](C(=O)[O-])c2ccsc2)ccc1OC(C)C ZINC000518886645 939251038 /nfs/dbraw/zinc/25/10/38/939251038.db2.gz NKZXUBNJPOMAMA-OAHLLOKOSA-N -1 0 348.424 3.791 20 0 EHADRM O=C([O-])C1(NC(=O)N[C@H]2CCSc3ccccc32)CCCCCC1 ZINC000519281466 939251555 /nfs/dbraw/zinc/25/15/55/939251555.db2.gz PWOQKZDFBVBZOO-AWEZNQCLSA-N -1 0 348.468 3.700 20 0 EHADRM Cc1ccc(NC(=O)NC2(C(=O)[O-])CCCCC2)cc1OC(F)F ZINC000519452823 939251976 /nfs/dbraw/zinc/25/19/76/939251976.db2.gz CEMKVNUQOMDWTB-UHFFFAOYSA-N -1 0 342.342 3.505 20 0 EHADRM CSCCCCCCC(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1C ZINC000864147873 939252574 /nfs/dbraw/zinc/25/25/74/939252574.db2.gz RFWAGQJPTOIDAZ-QGZVFWFLSA-N -1 0 337.485 3.859 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccsc1 ZINC000520351263 939254759 /nfs/dbraw/zinc/25/47/59/939254759.db2.gz QKBMGFXPFUDDGY-LLVKDONJSA-N -1 0 344.314 3.714 20 0 EHADRM Cc1cc2occ(CC(=O)NC3(C(=O)[O-])CCCC3)c2cc1C(C)C ZINC000554501783 939300123 /nfs/dbraw/zinc/30/01/23/939300123.db2.gz CWXBBPONCZEOOO-UHFFFAOYSA-N -1 0 343.423 3.921 20 0 EHADRM CCCCc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(O)cc2)cc1 ZINC000559587249 939317532 /nfs/dbraw/zinc/31/75/32/939317532.db2.gz SBEMWQJTWCNNMG-KRWDZBQOSA-N -1 0 342.395 3.682 20 0 EHADRM CC(C)OCc1cccc(NC(=O)N[C@H](C(=O)[O-])C2CCCCC2)c1 ZINC000566638571 939356214 /nfs/dbraw/zinc/35/62/14/939356214.db2.gz GNEXXBURABWAJG-KRWDZBQOSA-N -1 0 348.443 3.767 20 0 EHADRM Cc1cccc([C@@H](NC(=O)NCc2ccc(Cl)cc2)C(=O)[O-])c1C ZINC000568360471 939366899 /nfs/dbraw/zinc/36/68/99/939366899.db2.gz KRNCWCXOMGZWSQ-MRXNPFEDSA-N -1 0 346.814 3.582 20 0 EHADRM CC(C)OCc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000569278464 939373964 /nfs/dbraw/zinc/37/39/64/939373964.db2.gz RHFWLVNNHQTHQT-KRWDZBQOSA-N -1 0 342.395 3.559 20 0 EHADRM Cc1ccc([C@@H](NC(=O)c2cscc2C(F)F)C(=O)[O-])cc1C ZINC000909696383 939726363 /nfs/dbraw/zinc/72/63/63/939726363.db2.gz SZKVMEFCOWYARC-CYBMUJFWSA-N -1 0 339.363 3.858 20 0 EHADRM Cc1cccc([C@H](NC(=O)Nc2ccccc2Cl)C(=O)[O-])c1C ZINC000576297430 939738203 /nfs/dbraw/zinc/73/82/03/939738203.db2.gz ZPTCVDHUAHLTCS-HNNXBMFYSA-N -1 0 332.787 3.904 20 0 EHADRM O=C([O-])[C@@H](NC(=O)C1CC2(CCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000911061775 939767928 /nfs/dbraw/zinc/76/79/28/939767928.db2.gz OPIGOIKDXLQJOQ-ZDUSSCGKSA-N -1 0 341.329 3.528 20 0 EHADRM O=C([O-])[C@H](NC(=O)NCC1CCCC1)c1ccc(Cl)cc1Cl ZINC000583300097 939789915 /nfs/dbraw/zinc/78/99/15/939789915.db2.gz ZISQZBVDQFSDDB-CYBMUJFWSA-N -1 0 345.226 3.609 20 0 EHADRM Cc1ccc([C@@H](NC(=O)Nc2ccc3c(c2)CCC3)C(=O)[O-])cc1C ZINC000583359653 939790671 /nfs/dbraw/zinc/79/06/71/939790671.db2.gz CENZXVDNYITFIA-GOSISDBHSA-N -1 0 338.407 3.740 20 0 EHADRM CCc1ccc(CNC(=O)N[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)s1 ZINC000584757429 939799609 /nfs/dbraw/zinc/79/96/09/939799609.db2.gz XTSYGHMQYUBPAW-MRXNPFEDSA-N -1 0 346.452 3.552 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CC(C1CC1)C1CC1)c1ccc(Cl)c(F)c1 ZINC001116480742 939810111 /nfs/dbraw/zinc/81/01/11/939810111.db2.gz QKZWWPBLIBQTES-INIZCTEOSA-N -1 0 339.794 3.547 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(OC2CCCC2)cc1)c1cccs1 ZINC000648334373 939832007 /nfs/dbraw/zinc/83/20/07/939832007.db2.gz FBYAHQJAEWMNMI-INIZCTEOSA-N -1 0 345.420 3.625 20 0 EHADRM COc1cccc([C@H](NC(=O)Nc2ccc(C(C)C)cc2)C(=O)[O-])c1 ZINC000656505028 939843844 /nfs/dbraw/zinc/84/38/44/939843844.db2.gz YBASMHMZGXPEPT-KRWDZBQOSA-N -1 0 342.395 3.766 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)N[C@@H](C(=O)[O-])c1ccsc1 ZINC000659161918 939848481 /nfs/dbraw/zinc/84/84/81/939848481.db2.gz LYTBQFTUBGLNCC-XJKSGUPXSA-N -1 0 331.437 3.567 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CC1CC(F)(F)C1)c1ccc2ccccc2c1 ZINC000668283384 939860574 /nfs/dbraw/zinc/86/05/74/939860574.db2.gz PFSUFOLXVFNCDJ-INIZCTEOSA-N -1 0 333.334 3.517 20 0 EHADRM Cc1oc(C)c(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1C ZINC000671667136 939863462 /nfs/dbraw/zinc/86/34/62/939863462.db2.gz GVTLRKHGGAZTME-CQSZACIVSA-N -1 0 339.750 3.553 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000675981032 939865546 /nfs/dbraw/zinc/86/55/46/939865546.db2.gz DULZVSDXLONUEI-MGPUTAFESA-N -1 0 325.408 3.605 20 0 EHADRM C[C@](NC(=O)CCCc1ccc(Cl)cc1)(C(=O)[O-])c1ccccc1 ZINC000675982846 939866214 /nfs/dbraw/zinc/86/62/14/939866214.db2.gz RPQACBJZSNEOQA-LJQANCHMSA-N -1 0 345.826 3.779 20 0 EHADRM CCCCc1ccc(C(=O)CCC(=O)NC2(C(=O)[O-])CCCC2)cc1 ZINC000676209824 939868138 /nfs/dbraw/zinc/86/81/38/939868138.db2.gz JCAAABQZTWPKAP-UHFFFAOYSA-N -1 0 345.439 3.506 20 0 EHADRM Cc1cc(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)c(Cl)cc1F ZINC000678977970 939868303 /nfs/dbraw/zinc/86/83/03/939868303.db2.gz QYTRWESPHLCSOP-QGZVFWFLSA-N -1 0 335.762 3.517 20 0 EHADRM C[C@@H](NC(=O)N[C@@H](C(=O)[O-])c1ccccc1)c1cc2ccccc2o1 ZINC000679540236 939869743 /nfs/dbraw/zinc/86/97/43/939869743.db2.gz KOUCQLSVMWVBOS-SJKOYZFVSA-N -1 0 338.363 3.619 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000683306519 939870213 /nfs/dbraw/zinc/87/02/13/939870213.db2.gz DINZZBYIJJVNQP-IERDGZPVSA-N -1 0 339.435 3.762 20 0 EHADRM CCC(CC)N(CC(C)C)S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000321518897 970779461 /nfs/dbraw/zinc/77/94/61/970779461.db2.gz CPXLZTKMKSYEDD-UHFFFAOYSA-N -1 0 341.473 3.529 20 0 EHADRM COc1ccc(NC(=O)c2csc3c2CCCC3)c(C(=O)[O-])c1 ZINC000321546913 970782485 /nfs/dbraw/zinc/78/24/85/970782485.db2.gz IVNUGUFRYOSGDO-UHFFFAOYSA-N -1 0 331.393 3.586 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)Nc2ccc(Cl)cc2F)C1 ZINC000321731945 970802202 /nfs/dbraw/zinc/80/22/02/970802202.db2.gz SZJMXJYVNJRPOV-JTQLQIEISA-N -1 0 342.798 3.834 20 0 EHADRM C[C@@H](NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)C1CCCCC1 ZINC000321813651 970811420 /nfs/dbraw/zinc/81/14/20/970811420.db2.gz ZMUHYXGYMHQDNV-SECBINFHSA-N -1 0 326.343 3.753 20 0 EHADRM Cc1c(Cl)cccc1NC(=O)NCCc1ccccc1C(=O)[O-] ZINC000321820827 970812814 /nfs/dbraw/zinc/81/28/14/970812814.db2.gz DJMMRWALYGKSLF-UHFFFAOYSA-N -1 0 332.787 3.711 20 0 EHADRM Cc1cccc2cc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])c(Cl)nc12 ZINC001600558469 970826583 /nfs/dbraw/zinc/82/65/83/970826583.db2.gz LPEVKKOCMDPAQU-CYBMUJFWSA-N -1 0 348.830 3.673 20 0 EHADRM Cc1cccc2c1CC(C)(C)N(C(=O)/C=C\c1ccc(C(=O)[O-])o1)C2 ZINC001600553625 970826631 /nfs/dbraw/zinc/82/66/31/970826631.db2.gz ACDDEKADOMUOIZ-NTMALXAHSA-N -1 0 339.391 3.663 20 0 EHADRM Cc1ccc(SCCC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)cc1C ZINC000322124730 970849757 /nfs/dbraw/zinc/84/97/57/970849757.db2.gz NXKYTXOGGKXRSE-OAHLLOKOSA-N -1 0 337.485 3.791 20 0 EHADRM Cc1ccc(SCCC(=O)Nc2ccc(C(=O)[O-])nc2)cc1C ZINC000322353350 970876542 /nfs/dbraw/zinc/87/65/42/970876542.db2.gz GBLIRZHZXCUSCE-UHFFFAOYSA-N -1 0 330.409 3.518 20 0 EHADRM Cc1ccccc1N(CCC(=O)[O-])C(=O)c1ccc(Cl)c(F)c1 ZINC000322670603 970916877 /nfs/dbraw/zinc/91/68/77/970916877.db2.gz AOTUCLJIKSXUFI-UHFFFAOYSA-N -1 0 335.762 3.909 20 0 EHADRM CCc1ccccc1CNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000322840772 970933745 /nfs/dbraw/zinc/93/37/45/970933745.db2.gz JWKRWZIXYJEPDM-UHFFFAOYSA-N -1 0 332.787 3.922 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)cc1F ZINC000323258156 970983074 /nfs/dbraw/zinc/98/30/74/970983074.db2.gz VPXVJFNLXNWBPL-MWLCHTKSSA-N -1 0 333.281 3.831 20 0 EHADRM CCc1ccc(NC(=O)[C@H]2Cc3ccccc3S2)c(C(=O)[O-])c1 ZINC000323310599 970988838 /nfs/dbraw/zinc/98/88/38/970988838.db2.gz FPYYNGDDVICIRJ-MRXNPFEDSA-N -1 0 327.405 3.603 20 0 EHADRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@H]2CCCC[C@@H]2C1 ZINC000323746078 971035034 /nfs/dbraw/zinc/03/50/34/971035034.db2.gz SANCLDISKLWJLD-GHMZBOCLSA-N -1 0 338.791 3.963 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000323838136 971044765 /nfs/dbraw/zinc/04/47/65/971044765.db2.gz JKAAWIRXBXFRJA-UHFFFAOYSA-N -1 0 346.770 3.899 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2c(Cl)cncc2Cl)c1 ZINC001611463976 971067171 /nfs/dbraw/zinc/06/71/71/971067171.db2.gz ZLNATHPXVFHYEK-UHFFFAOYSA-N -1 0 339.178 3.658 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC000324072597 971081317 /nfs/dbraw/zinc/08/13/17/971081317.db2.gz GMKUCTXCWPQOJZ-UHFFFAOYSA-N -1 0 329.283 3.536 20 0 EHADRM CCOc1ccc(SCC(=O)Nc2ccc(F)cc2C(=O)[O-])cc1 ZINC000324089055 971082655 /nfs/dbraw/zinc/08/26/55/971082655.db2.gz JBUWYCOVRCRZTD-UHFFFAOYSA-N -1 0 349.383 3.653 20 0 EHADRM Cc1cccc(OCCC(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1C ZINC000324160568 971091757 /nfs/dbraw/zinc/09/17/57/971091757.db2.gz CYOAQAJGIFKJNK-UHFFFAOYSA-N -1 0 331.343 3.548 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC001601982348 971110645 /nfs/dbraw/zinc/11/06/45/971110645.db2.gz RAMZNLOHRIYFQC-UHFFFAOYSA-N -1 0 346.408 3.584 20 0 EHADRM CC(C)Oc1ccc([C@@H](C)NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000324389156 971115722 /nfs/dbraw/zinc/11/57/22/971115722.db2.gz PNUBLJJPFGFYOG-CYBMUJFWSA-N -1 0 327.380 3.663 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000324453966 971121879 /nfs/dbraw/zinc/12/18/79/971121879.db2.gz ZPENIDACIXHBEH-UHFFFAOYSA-N -1 0 347.440 3.803 20 0 EHADRM CCc1cc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)cc(Cl)n1 ZINC000324519675 971129148 /nfs/dbraw/zinc/12/91/48/971129148.db2.gz KEVKCTCPKPRISR-UHFFFAOYSA-N -1 0 340.713 3.526 20 0 EHADRM Cc1ccc(NC(=O)CC2(CC(=O)[O-])CCCC2)c2cccnc12 ZINC000324710035 971150541 /nfs/dbraw/zinc/15/05/41/971150541.db2.gz AYLGATNDFPUCPR-UHFFFAOYSA-N -1 0 326.396 3.907 20 0 EHADRM O=C([O-])[C@H](CNC(=O)Nc1ccc2sccc2c1)c1ccccc1 ZINC000324913668 971169207 /nfs/dbraw/zinc/16/92/07/971169207.db2.gz QMHFNNMYLFZVHL-OAHLLOKOSA-N -1 0 340.404 3.891 20 0 EHADRM Cc1c(NC(=O)COc2ccccc2C(C)C)cccc1C(=O)[O-] ZINC000324935097 971170975 /nfs/dbraw/zinc/17/09/75/971170975.db2.gz VYUVLLVHYONXSS-UHFFFAOYSA-N -1 0 327.380 3.834 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@]2(C(F)(F)F)CCc3ccccc32)cc1 ZINC001602319480 971178982 /nfs/dbraw/zinc/17/89/82/971178982.db2.gz GGSWYLVKHUHJHT-QGZVFWFLSA-N -1 0 349.308 3.519 20 0 EHADRM Cc1cc(C)c(NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000325124741 971187838 /nfs/dbraw/zinc/18/78/38/971187838.db2.gz AXEHQJKHRBTFSH-UHFFFAOYSA-N -1 0 326.396 3.974 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc3c(ccnc3Cl)o2)c(F)c1 ZINC001602380160 971191338 /nfs/dbraw/zinc/19/13/38/971191338.db2.gz CCGZAZNXEVYXCR-UHFFFAOYSA-N -1 0 334.690 3.571 20 0 EHADRM CC[C@@H](NC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC000325242000 971195759 /nfs/dbraw/zinc/19/57/59/971195759.db2.gz DRYIIOJFFREWJT-JKSUJKDBSA-N -1 0 332.444 3.670 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000325244310 971197211 /nfs/dbraw/zinc/19/72/11/971197211.db2.gz IRXIYUNNHMODDU-DGCLKSJQSA-N -1 0 341.329 3.643 20 0 EHADRM O=C([O-])c1nn(-c2ccccc2)cc1OCc1ccc(Cl)c(F)c1 ZINC000325697933 971237232 /nfs/dbraw/zinc/23/72/32/971237232.db2.gz IUVCWEJREOTBFJ-UHFFFAOYSA-N -1 0 346.745 3.942 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000325722885 971238408 /nfs/dbraw/zinc/23/84/08/971238408.db2.gz URELYBILKHDFMH-OAHLLOKOSA-N -1 0 344.333 3.732 20 0 EHADRM O=C([O-])c1cccc2c1CCN(Cc1cc(-c3cccs3)on1)C2 ZINC000325731967 971239282 /nfs/dbraw/zinc/23/92/82/971239282.db2.gz BJUGOVIPLWOSLW-UHFFFAOYSA-N -1 0 340.404 3.660 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000326040378 971262302 /nfs/dbraw/zinc/26/23/02/971262302.db2.gz YSMIBURMGBNWJW-SECBINFHSA-N -1 0 348.380 3.659 20 0 EHADRM CCc1cc(NC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)ccc1C ZINC000326244085 971276259 /nfs/dbraw/zinc/27/62/59/971276259.db2.gz MLLRAEMQGHHYNE-HNNXBMFYSA-N -1 0 332.444 3.912 20 0 EHADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000327533077 971407142 /nfs/dbraw/zinc/40/71/42/971407142.db2.gz JYTICODXHFNOPS-SUMWQHHRSA-N -1 0 340.379 3.806 20 0 EHADRM CC[C@H](NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000327586393 971410186 /nfs/dbraw/zinc/41/01/86/971410186.db2.gz XQHMGUXBAYRGEU-ROUUACIJSA-N -1 0 338.407 3.531 20 0 EHADRM CC(C)(C)c1ccccc1C(=O)N1C[C@H](C(=O)[O-])Cc2ccccc21 ZINC000327640240 971414179 /nfs/dbraw/zinc/41/41/79/971414179.db2.gz SDJBUDNOUCHZHF-OAHLLOKOSA-N -1 0 337.419 3.888 20 0 EHADRM CCc1ccc(NC(=O)CCc2ccc(N(C)C)cc2)c(C(=O)[O-])c1 ZINC000327679926 971417467 /nfs/dbraw/zinc/41/74/67/971417467.db2.gz CRPUXQLOKWPNRG-UHFFFAOYSA-N -1 0 340.423 3.585 20 0 EHADRM Cc1ccc(OCCCC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])cc1 ZINC000327948429 971436981 /nfs/dbraw/zinc/43/69/81/971436981.db2.gz RZOAHGLRAHYREH-SFHVURJKSA-N -1 0 347.455 3.694 20 0 EHADRM C[C@H](C(=O)Oc1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1)C1CCC1 ZINC001573755856 948785102 /nfs/dbraw/zinc/78/51/02/948785102.db2.gz UBNDZFQNAYULOE-ZDUSSCGKSA-N -1 0 348.406 3.875 20 0 EHADRM CC[C@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001589567271 948880120 /nfs/dbraw/zinc/88/01/20/948880120.db2.gz DHXMDUUMFYNRTF-INIZCTEOSA-N -1 0 347.798 3.685 20 0 EHADRM CCC(CC)(NC(=O)c1ccc(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC000342567181 971518989 /nfs/dbraw/zinc/51/89/89/971518989.db2.gz MAQLWLDKLTWUGT-UHFFFAOYSA-N -1 0 335.400 3.927 20 0 EHADRM CCCC[C@H](NC(=O)c1cncc(-c2ccc(Cl)cc2)c1)C(=O)[O-] ZINC000347261978 971523021 /nfs/dbraw/zinc/52/30/21/971523021.db2.gz OMWNRHSJASSWBY-INIZCTEOSA-N -1 0 346.814 3.775 20 0 EHADRM CCSCc1ccc(C(=O)N(CC(=O)[O-])Cc2ccccc2)cc1 ZINC000347341856 971523579 /nfs/dbraw/zinc/52/35/79/971523579.db2.gz IUEXTXZFIIBQIL-UHFFFAOYSA-N -1 0 343.448 3.667 20 0 EHADRM Cc1ccccc1C1CC(N(C(=O)c2ccc(C(=O)[O-])o2)C2CC2)C1 ZINC000347364161 971523822 /nfs/dbraw/zinc/52/38/22/971523822.db2.gz KPKINXLWAJUKCQ-UHFFFAOYSA-N -1 0 339.391 3.837 20 0 EHADRM CC1(C)CC[C@H](NC(=O)Cc2cccc(C(=O)[O-])c2)c2ccccc21 ZINC000347385411 971524679 /nfs/dbraw/zinc/52/46/79/971524679.db2.gz ZGNNTHJZEOLGPK-SFHVURJKSA-N -1 0 337.419 3.856 20 0 EHADRM Cc1ccc(C)c(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])c1 ZINC000348282285 971527004 /nfs/dbraw/zinc/52/70/04/971527004.db2.gz VPAXRLALXZDMGC-MRXNPFEDSA-N -1 0 325.408 3.667 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NC[C@@H]1CCC(C)(C)c2ccccc21 ZINC000353936200 971529056 /nfs/dbraw/zinc/52/90/56/971529056.db2.gz ZAIUFLZBEBNOLM-AWEZNQCLSA-N -1 0 331.456 3.849 20 0 EHADRM CC(C)COc1ccc(C(C)(C)NC(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000352391960 971529105 /nfs/dbraw/zinc/52/91/05/971529105.db2.gz PTYLKMJBTMYSIM-UHFFFAOYSA-N -1 0 345.395 3.678 20 0 EHADRM CC(C)Oc1ccc(CNC(=O)CC2(CC(=O)[O-])CCCC2)cc1 ZINC000355280183 971530187 /nfs/dbraw/zinc/53/01/87/971530187.db2.gz DTGUUHJLEXOFQM-UHFFFAOYSA-N -1 0 333.428 3.515 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001589584657 949031921 /nfs/dbraw/zinc/03/19/21/949031921.db2.gz KNURKJKSTSJURO-VQIMIIECSA-N -1 0 343.448 3.674 20 0 EHADRM CN(C(=O)c1cccc(C(=O)[O-])n1)c1ccc(Oc2ccccc2)cc1 ZINC000362489367 971535164 /nfs/dbraw/zinc/53/51/64/971535164.db2.gz OCPRDEQUSMWDFV-UHFFFAOYSA-N -1 0 348.358 3.849 20 0 EHADRM Cc1oc(CN(C)C(=O)c2cc3ccccc3s2)cc1C(=O)[O-] ZINC000362745989 971535757 /nfs/dbraw/zinc/53/57/57/971535757.db2.gz FVEFPJBEGYYKLQ-UHFFFAOYSA-N -1 0 329.377 3.773 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001589586643 949056297 /nfs/dbraw/zinc/05/62/97/949056297.db2.gz COBWUNIGNGZZJT-MRXNPFEDSA-N -1 0 342.395 3.699 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C2(c3ccccc3C)CCC2)C1 ZINC001589589949 949076080 /nfs/dbraw/zinc/07/60/80/949076080.db2.gz GIAMXUOOZPALBR-LJQANCHMSA-N -1 0 329.440 3.520 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)NCc2cccc(C(C)C)c2)C1 ZINC001589595423 949138924 /nfs/dbraw/zinc/13/89/24/949138924.db2.gz XESMWBVXEPVGAD-IBGZPJMESA-N -1 0 332.444 3.596 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)NC2CCC(C3CCC3)CC2)C1 ZINC001589596517 949150638 /nfs/dbraw/zinc/15/06/38/949150638.db2.gz MURBLUUYTRZFIS-RJYAGPCLSA-N -1 0 336.476 3.632 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)c1cc2ccncc2s1 ZINC001595238619 949431708 /nfs/dbraw/zinc/43/17/08/949431708.db2.gz YPWWIWPJXYWZPG-UHFFFAOYSA-N -1 0 338.388 3.588 20 0 EHADRM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])nc1 ZINC000190626215 949502595 /nfs/dbraw/zinc/50/25/95/949502595.db2.gz WRGLYBCHHAHMHS-AEFFLSMTSA-N -1 0 338.407 3.578 20 0 EHADRM CCC[C@]1(C)CCCN(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1 ZINC001589635367 949613374 /nfs/dbraw/zinc/61/33/74/949613374.db2.gz IPBMPWJFJFDTQI-NXEZDXNNSA-N -1 0 338.492 3.734 20 0 EHADRM CCCC[C@@H]1CCC[C@H]1NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001589639732 949671424 /nfs/dbraw/zinc/67/14/24/949671424.db2.gz JRZBPDMRNQCPRF-FHLIZLRMSA-N -1 0 344.455 3.739 20 0 EHADRM CCCC[C@H](C)C(=O)Nc1scc(-c2cnn(C)c2)c1C(=O)[O-] ZINC001589641379 949691791 /nfs/dbraw/zinc/69/17/91/949691791.db2.gz TULSGPFCAKMRQG-JTQLQIEISA-N -1 0 335.429 3.612 20 0 EHADRM CCCCCCOc1cc(C)ccc1CNC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001589645432 949726036 /nfs/dbraw/zinc/72/60/36/949726036.db2.gz BBYBXPOFQHDYDJ-IAGOWNOFSA-N -1 0 347.455 3.681 20 0 EHADRM CCCCO[C@H]1C[C@H](NC(=O)C2(C(=O)[O-])CCCCCC2)C1(C)C ZINC001589652971 949793027 /nfs/dbraw/zinc/79/30/27/949793027.db2.gz OTYGZEUGKDHTGI-GJZGRUSLSA-N -1 0 339.476 3.512 20 0 EHADRM O=C([O-])c1cncc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)c1 ZINC001595272796 949851619 /nfs/dbraw/zinc/85/16/19/949851619.db2.gz VHAMEYLXHQUZRI-UHFFFAOYSA-N -1 0 349.346 3.565 20 0 EHADRM CCCOc1ccc(Cl)cc1C(=O)NCCCCCC(=O)[O-] ZINC000236951677 949945722 /nfs/dbraw/zinc/94/57/22/949945722.db2.gz MNSYGNTWQWTTLQ-UHFFFAOYSA-N -1 0 327.808 3.504 20 0 EHADRM O=C([O-])C1(C(=O)N2C[C@H]3CCC(=O)c4cccc2c43)CCCCCC1 ZINC001595284959 950002428 /nfs/dbraw/zinc/00/24/28/950002428.db2.gz AHQQDHXHXQXZNK-CYBMUJFWSA-N -1 0 341.407 3.519 20 0 EHADRM CCCc1csc(NC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)n1 ZINC001589691076 950110066 /nfs/dbraw/zinc/11/00/66/950110066.db2.gz DVUMPTBFGHOFMY-ZIAGYGMSSA-N -1 0 345.424 3.530 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000262340315 950111965 /nfs/dbraw/zinc/11/19/65/950111965.db2.gz CMTDCXOVECYVIB-UHFFFAOYSA-N -1 0 341.407 3.629 20 0 EHADRM Cc1c(C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)oc2c1c(C)ccc2C ZINC000262834694 950170343 /nfs/dbraw/zinc/17/03/43/950170343.db2.gz CLUXEEVHLXJVQB-TZMCWYRMSA-N -1 0 329.396 3.541 20 0 EHADRM Cc1cc(NC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)ccc1C(F)(F)F ZINC000263040427 950227209 /nfs/dbraw/zinc/22/72/09/950227209.db2.gz CFUSDKPHVOCJMY-MWLCHTKSSA-N -1 0 344.333 3.588 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000263046896 950232285 /nfs/dbraw/zinc/23/22/85/950232285.db2.gz DCTQBQBCBMPUQL-BDAKNGLRSA-N -1 0 331.199 3.568 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)Nc2cnc3c(c2)CCCC3)c1 ZINC000263055268 950236925 /nfs/dbraw/zinc/23/69/25/950236925.db2.gz NUFUNNRUYXJWPF-UHFFFAOYSA-N -1 0 339.395 3.622 20 0 EHADRM C[C@@H]1CN(C(=O)C2(c3cccc(F)c3)CCCCC2)CC[C@H]1C(=O)[O-] ZINC000263062662 950241013 /nfs/dbraw/zinc/24/10/13/950241013.db2.gz STIZXVQCRKKJHQ-RHSMWYFYSA-N -1 0 347.430 3.597 20 0 EHADRM CCN(C(=O)Nc1ccc(Oc2cccnc2)c(C)c1)[C@@H](C)C(=O)[O-] ZINC001589707158 950304550 /nfs/dbraw/zinc/30/45/50/950304550.db2.gz NNTRRNBZOPNOGN-ZDUSSCGKSA-N -1 0 343.383 3.509 20 0 EHADRM CCN(C(=O)Nc1cccc(-c2ccccc2OC)c1)[C@H](C)C(=O)[O-] ZINC001589707584 950311654 /nfs/dbraw/zinc/31/16/54/950311654.db2.gz XGAKZQUIEJOFQG-CYBMUJFWSA-N -1 0 342.395 3.689 20 0 EHADRM C[C@H](CN(C)C(=O)N[C@@H](CC1CCCC1)c1ccccc1)C(=O)[O-] ZINC000263237968 950338672 /nfs/dbraw/zinc/33/86/72/950338672.db2.gz NHWLPYNQKNIDTG-PBHICJAKSA-N -1 0 332.444 3.670 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccccc2Nc2ccccc2)C1 ZINC000263393610 950435106 /nfs/dbraw/zinc/43/51/06/950435106.db2.gz ZCMWBXZDQCDXNG-HUUCEWRRSA-N -1 0 338.407 3.613 20 0 EHADRM CCCN(CCc1cccs1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263452651 950470830 /nfs/dbraw/zinc/47/08/30/950470830.db2.gz GQIWUWBQPPSQAN-UHFFFAOYSA-N -1 0 346.452 3.611 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)NCCCCc1ccc(Cl)s1 ZINC001602851814 971686839 /nfs/dbraw/zinc/68/68/39/971686839.db2.gz CKRHHLOUXZGXKD-LBPRGKRZSA-N -1 0 331.865 3.587 20 0 EHADRM Cc1cccc(Br)c1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000314059542 950808542 /nfs/dbraw/zinc/80/85/42/950808542.db2.gz VJQKHVPDSWDGSO-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2nc(C3CCCCC3)cs2)CCC1 ZINC001594979648 950973348 /nfs/dbraw/zinc/97/33/48/950973348.db2.gz RCBBRFRPWWDMKJ-UHFFFAOYSA-N -1 0 337.445 3.710 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1Cl ZINC000320558192 950992723 /nfs/dbraw/zinc/99/27/23/950992723.db2.gz RHUPGYPJAKPVPP-CHWSQXEVSA-N -1 0 338.835 3.687 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)CSCc2cccs2)c2ccccc21 ZINC000322385169 951029459 /nfs/dbraw/zinc/02/94/59/951029459.db2.gz OLLONQLWLSQDIA-AWEZNQCLSA-N -1 0 347.461 3.586 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@@H]2CSc3ccccc32)c1 ZINC000322639472 951033911 /nfs/dbraw/zinc/03/39/11/951033911.db2.gz XNYWZIWBKANMJU-OAHLLOKOSA-N -1 0 327.405 3.532 20 0 EHADRM C[C@](NC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)(C(=O)[O-])c1ccccc1 ZINC000325289674 951082028 /nfs/dbraw/zinc/08/20/28/951082028.db2.gz WONCLYKFLMYGTH-ZFCANOHDSA-N -1 0 329.440 3.709 20 0 EHADRM CC(C)COc1cccc(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)c1 ZINC000325164206 951082143 /nfs/dbraw/zinc/08/21/43/951082143.db2.gz JGAUSNZCOIGVPT-HNNXBMFYSA-N -1 0 335.444 3.588 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000360832586 951135891 /nfs/dbraw/zinc/13/58/91/951135891.db2.gz LIPHSWKVNFMWSS-ZANVPECISA-N -1 0 332.227 3.712 20 0 EHADRM Cc1ccccc1CC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000364842879 951139559 /nfs/dbraw/zinc/13/95/59/951139559.db2.gz KFXNSIGJSJAZKD-UHFFFAOYSA-N -1 0 337.419 3.642 20 0 EHADRM O=C([O-])[C@H]1CCN(CCCOCc2ccccc2)c2ccccc21 ZINC000383954380 951262357 /nfs/dbraw/zinc/26/23/57/951262357.db2.gz IUFXTVSUKGNFPI-SFHVURJKSA-N -1 0 325.408 3.672 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)NCc2cccc3cc[nH]c32)c1 ZINC001595066429 951552359 /nfs/dbraw/zinc/55/23/59/951552359.db2.gz JQMQDWAHWXGEHH-UHFFFAOYSA-N -1 0 337.379 3.507 20 0 EHADRM O=C([O-])c1nccnc1Oc1cc(F)c(Br)cc1Cl ZINC000381746205 971774610 /nfs/dbraw/zinc/77/46/10/971774610.db2.gz RNSBVKKLRUECKX-UHFFFAOYSA-N -1 0 347.527 3.522 20 0 EHADRM O=C([O-])CNC(=O)Nc1cccc(Sc2ccc(Cl)cc2)c1 ZINC001595102150 951856336 /nfs/dbraw/zinc/85/63/36/951856336.db2.gz XBZXSCHGUZETCC-UHFFFAOYSA-N -1 0 336.800 3.697 20 0 EHADRM O=C([O-])COc1cccc(C(=O)O[C@H]2CCSc3ccccc32)c1 ZINC001595123692 951990312 /nfs/dbraw/zinc/99/03/12/951990312.db2.gz NZLXQTNPADUWAQ-HNNXBMFYSA-N -1 0 344.388 3.544 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)C2(c3ccnc4ccccc43)CC2)c1 ZINC001595130791 952032350 /nfs/dbraw/zinc/03/23/50/952032350.db2.gz OYIQNSYIEJWYLX-UHFFFAOYSA-N -1 0 346.386 3.532 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)NC1(c2cccc(F)c2)CCC1 ZINC001595136738 952058325 /nfs/dbraw/zinc/05/83/25/952058325.db2.gz ZHPIFODUNITKIR-UHFFFAOYSA-N -1 0 342.370 3.654 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)N2Cc3ccccc3C2)c1Cl ZINC001595206407 952329716 /nfs/dbraw/zinc/32/97/16/952329716.db2.gz KGUIKLRNXDFOKA-UHFFFAOYSA-N -1 0 334.734 3.725 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccccc2Cc2ccccc2)ccn1 ZINC001595208874 952352384 /nfs/dbraw/zinc/35/23/84/952352384.db2.gz AREJFGNQOFFSRT-UHFFFAOYSA-N -1 0 332.359 3.623 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccccc2CCC(F)(F)F)ccn1 ZINC001595209962 952360676 /nfs/dbraw/zinc/36/06/76/952360676.db2.gz ZYPGVGLVIVMBDY-UHFFFAOYSA-N -1 0 338.285 3.527 20 0 EHADRM CC(C)(C)c1ccc(C2(NC(=O)NCCC(=O)[O-])CCCC2)cc1 ZINC001602922796 971881515 /nfs/dbraw/zinc/88/15/15/971881515.db2.gz FAJAVUHCOYESOD-UHFFFAOYSA-N -1 0 332.444 3.527 20 0 EHADRM CC[C@H](CC(F)(F)F)C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000402538848 953355787 /nfs/dbraw/zinc/35/57/87/953355787.db2.gz ZJBWQVSOIMKLFA-PWSUYJOCSA-N -1 0 329.318 3.570 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2nc(C3CCCCC3)cs2)CCC1 ZINC001594741960 953364347 /nfs/dbraw/zinc/36/43/47/953364347.db2.gz BUVNOBBMRANVTH-UHFFFAOYSA-N -1 0 337.445 3.567 20 0 EHADRM C[C@@H](NC(=O)N(C)CCC(=O)[O-])c1ccc(-c2ccc(F)cc2)cc1 ZINC000414635670 953405938 /nfs/dbraw/zinc/40/59/38/953405938.db2.gz BZAJWQDCGOBKDZ-CYBMUJFWSA-N -1 0 344.386 3.670 20 0 EHADRM CC(C)(NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc2ccccc2c1 ZINC001602951999 971928145 /nfs/dbraw/zinc/92/81/45/971928145.db2.gz FMBQZKFRSUSQFY-WBVHZDCISA-N -1 0 340.423 3.627 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)C(F)(F)F ZINC001593604088 953419742 /nfs/dbraw/zinc/41/97/42/953419742.db2.gz WBLIAWMBNICXKJ-SSDOTTSWSA-N -1 0 342.676 3.640 20 0 EHADRM Cc1coc(-c2cc(NC(=O)NCCC(C)(C)C(=O)[O-])ccc2C)n1 ZINC000424383601 953453364 /nfs/dbraw/zinc/45/33/64/953453364.db2.gz QAQLGGBCJPCIQI-UHFFFAOYSA-N -1 0 345.399 3.581 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)NC[C@@H]2CCCCS2)c1Cl ZINC001594752039 953453741 /nfs/dbraw/zinc/45/37/41/953453741.db2.gz TXEOXOZJWYTUTC-QMMMGPOBSA-N -1 0 346.811 3.585 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)NCCC(C)(C)C(=O)[O-] ZINC000424390136 953456976 /nfs/dbraw/zinc/45/69/76/953456976.db2.gz DSOZSULLTWAJNM-GFCCVEGCSA-N -1 0 332.400 3.602 20 0 EHADRM C[C@H](c1cc2ccccc2o1)N(C)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424401171 953465498 /nfs/dbraw/zinc/46/54/98/953465498.db2.gz YLSJWASULXVXQZ-GFCCVEGCSA-N -1 0 332.400 3.636 20 0 EHADRM CC(C)C[C@H](CNC(=O)CCc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000431546766 953501812 /nfs/dbraw/zinc/50/18/12/953501812.db2.gz WWCVQQWQWJTYCA-CYBMUJFWSA-N -1 0 345.361 3.501 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(OC2CCCC2)c(Cl)c1)C(=O)[O-] ZINC001593619036 953517298 /nfs/dbraw/zinc/51/72/98/953517298.db2.gz BGVGHMDVXLSJSM-ZDUSSCGKSA-N -1 0 340.807 3.646 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(Oc2ccc(F)cc2)cc1)C(=O)[O-] ZINC001593619038 953517652 /nfs/dbraw/zinc/51/76/52/953517652.db2.gz BKWSLNWJJOYLJC-HNNXBMFYSA-N -1 0 332.331 3.603 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(c2cc(C(C)(C)C)nc(C(C)(C)C)n2)C1 ZINC001589281743 953524119 /nfs/dbraw/zinc/52/41/19/953524119.db2.gz AUNGCZVTSBOCJV-QWHCGFSZSA-N -1 0 333.476 3.619 20 0 EHADRM C[C@H](NC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)c1cc2ccccc2s1 ZINC000515379501 953538673 /nfs/dbraw/zinc/53/86/73/953538673.db2.gz CMMQBLWSOAYRTI-OBJOEFQTSA-N -1 0 346.452 3.715 20 0 EHADRM C[C@H](NC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)c1cc2ccccc2s1 ZINC000515379502 953538854 /nfs/dbraw/zinc/53/88/54/953538854.db2.gz CMMQBLWSOAYRTI-SGMGOOAPSA-N -1 0 346.452 3.715 20 0 EHADRM CC[C@H](Nc1nc(C2CC2)nc2sc3c(c21)CCCC3)C(=O)[O-] ZINC001593624818 953545114 /nfs/dbraw/zinc/54/51/14/953545114.db2.gz WMNMPGTZMXMNMN-NSHDSACASA-N -1 0 331.441 3.723 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)/C(=C/c2ccccc2)C(F)(F)F)c1 ZINC001594769773 953552010 /nfs/dbraw/zinc/55/20/10/953552010.db2.gz AXHRROSZUHSJMK-GDNBJRDFSA-N -1 0 349.308 3.647 20 0 EHADRM CC[C@H](NC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1)c1cc(C)ccc1C ZINC000529227613 953557639 /nfs/dbraw/zinc/55/76/39/953557639.db2.gz UBFIKSSHHRHURQ-QRTARXTBSA-N -1 0 332.444 3.507 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C[C@@H]1C(=O)[O-] ZINC000563143715 953596530 /nfs/dbraw/zinc/59/65/30/953596530.db2.gz ROPZXTCIOIDFGK-CBAPKCEASA-N -1 0 349.189 3.707 20 0 EHADRM CC(C)(C)c1cnc(NC(=O)Nc2cccc(CC(=O)[O-])c2)s1 ZINC000563610501 953600555 /nfs/dbraw/zinc/60/05/55/953600555.db2.gz LCGOZOGCHQISAD-UHFFFAOYSA-N -1 0 333.413 3.712 20 0 EHADRM C[C@@H]1C[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C[C@@H](c2ccccc2)C1 ZINC001589291787 953610071 /nfs/dbraw/zinc/61/00/71/953610071.db2.gz TXKHVCYZRIZCCX-JFMONLCZSA-N -1 0 329.440 3.576 20 0 EHADRM CCc1ccc([C@H]2CN(Cc3ccc(C(=O)[O-])s3)CCO2)cc1 ZINC000565107712 953612476 /nfs/dbraw/zinc/61/24/76/953612476.db2.gz WLFJJSRINKTUKX-MRXNPFEDSA-N -1 0 331.437 3.582 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccc(-c3ccco3)cc2F)C[C@H]1C(=O)[O-] ZINC000565716458 953616507 /nfs/dbraw/zinc/61/65/07/953616507.db2.gz FYJPNOQCPLEYPV-WCQYABFASA-N -1 0 346.358 3.660 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000566181955 953620332 /nfs/dbraw/zinc/62/03/32/953620332.db2.gz SYZXKJWPZMQKHS-UXIGCNINSA-N -1 0 344.411 3.554 20 0 EHADRM CCc1ccc2ccccc2c1CNC(=O)NC[C@H](C(=O)[O-])C(C)C ZINC001593640117 953637116 /nfs/dbraw/zinc/63/71/16/953637116.db2.gz ORWGYKMQLVQXFH-KRWDZBQOSA-N -1 0 342.439 3.558 20 0 EHADRM CCc1cccc(CC)c1NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001593641983 953651600 /nfs/dbraw/zinc/65/16/00/953651600.db2.gz DYDODIMOVOBWTL-UHFFFAOYSA-N -1 0 327.380 3.527 20 0 EHADRM CCc1cccc2c1N(C(=O)c1coc(/C=C/C(=O)[O-])c1)CCC2 ZINC001593642090 953652710 /nfs/dbraw/zinc/65/27/10/953652710.db2.gz XNXVOLOCXAZGPF-CMDGGOBGSA-N -1 0 325.364 3.533 20 0 EHADRM CCC(CC)(CNC(=O)Nc1nc(C(C)C)c(C)s1)C(=O)[O-] ZINC000570059625 953653920 /nfs/dbraw/zinc/65/39/20/953653920.db2.gz AERTVNDWJBDFJU-UHFFFAOYSA-N -1 0 327.450 3.587 20 0 EHADRM COc1ccc2oc([C@H](C)NC(=O)C3(CC(=O)[O-])CCC3)c(C)c2c1 ZINC000575922884 953685565 /nfs/dbraw/zinc/68/55/65/953685565.db2.gz MTPXIGNNGFMTJF-LBPRGKRZSA-N -1 0 345.395 3.572 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1csc(-c2ccccc2)n1 ZINC001589303592 953714517 /nfs/dbraw/zinc/71/45/17/953714517.db2.gz ILIASFOUIJAIEC-DGCLKSJQSA-N -1 0 345.424 3.527 20 0 EHADRM C[C@H]1CCN(C(=O)c2sccc2-c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000583934417 953730939 /nfs/dbraw/zinc/73/09/39/953730939.db2.gz FHPPVURYIHJRPJ-WFASDCNBSA-N -1 0 329.421 3.598 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1ccccc1COC(C)(C)C ZINC001589306884 953752155 /nfs/dbraw/zinc/75/21/55/953752155.db2.gz YNWQAAUGSFSAAY-KBPBESRZSA-N -1 0 348.443 3.719 20 0 EHADRM CCc1oc2ccccc2c1C(=O)N1CCC[C@](CC)(C(=O)[O-])C1 ZINC001593658242 953771527 /nfs/dbraw/zinc/77/15/27/953771527.db2.gz PEZSMLWWTMHNPU-IBGZPJMESA-N -1 0 329.396 3.712 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)Nc2ccc3ccccc3n2)c2ccccc21 ZINC001594806577 953784438 /nfs/dbraw/zinc/78/44/38/953784438.db2.gz RFCNGOFDJACCTC-NVXWUHKLSA-N -1 0 347.374 3.670 20 0 EHADRM O=C(Nc1ccccc1Oc1cccc(F)c1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594809971 953804700 /nfs/dbraw/zinc/80/47/00/953804700.db2.gz HUNXNONLDYUKDM-AULYBMBSSA-N -1 0 344.342 3.603 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1ccccc1NCC1CCCCC1 ZINC001594810772 953816646 /nfs/dbraw/zinc/81/66/46/953816646.db2.gz WISIEGFQKZKYSS-LSDHHAIUSA-N -1 0 330.428 3.728 20 0 EHADRM CC(C)(CNC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)C1CCC1 ZINC000384839803 971960825 /nfs/dbraw/zinc/96/08/25/971960825.db2.gz IFOPVMNRSIPZBK-UHFFFAOYSA-N -1 0 326.343 3.611 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)N[C@@H]1CCc2cccc3cccc1c32 ZINC001594811786 953835701 /nfs/dbraw/zinc/83/57/01/953835701.db2.gz LEXKWIDINAEFSL-OAHLLOKOSA-N -1 0 347.374 3.742 20 0 EHADRM C[C@@H]1CCCC[C@]1(C)NC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001589318879 953840625 /nfs/dbraw/zinc/84/06/25/953840625.db2.gz BOVYIVZBPXDAGM-RXMXQMHTSA-N -1 0 330.428 3.568 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000630562034 953861208 /nfs/dbraw/zinc/86/12/08/953861208.db2.gz MCMUNBZMTYHPDP-MWLCHTKSSA-N -1 0 342.848 3.636 20 0 EHADRM CN(C(=O)[C@H]1CC[C@H]1C(=O)[O-])[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC001593683046 953974451 /nfs/dbraw/zinc/97/44/51/953974451.db2.gz SYPJUZWSPCOWJZ-QJPTWQEYSA-N -1 0 349.736 3.513 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc3c(cccc3Cl)s2)C[C@@H]1C(=O)[O-] ZINC000647754751 953976101 /nfs/dbraw/zinc/97/61/01/953976101.db2.gz ANACPZCFHOYPRW-KOLCDFICSA-N -1 0 337.828 3.738 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)CCS1 ZINC001589344211 954038089 /nfs/dbraw/zinc/03/80/89/954038089.db2.gz NQMHXPMXCOYLCK-QMMMGPOBSA-N -1 0 346.811 3.537 20 0 EHADRM CC(C)[C@@H](CCc1ccccc1)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001602974624 971984053 /nfs/dbraw/zinc/98/40/53/971984053.db2.gz LLJRAOZUWPMUSY-QGZVFWFLSA-N -1 0 331.456 3.605 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000653303002 954112985 /nfs/dbraw/zinc/11/29/85/954112985.db2.gz BZJYOIXSDPJDAU-UHFFFAOYSA-N -1 0 328.368 3.703 20 0 EHADRM CCCOc1cccc(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000653332352 954162937 /nfs/dbraw/zinc/16/29/37/954162937.db2.gz BOFIYJDBLDPYIT-QZTJIDSGSA-N -1 0 339.391 3.518 20 0 EHADRM O=C(CCSc1ccccc1)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000653333086 954163956 /nfs/dbraw/zinc/16/39/56/954163956.db2.gz KVUISNRFOZXLDH-DLBZAZTESA-N -1 0 341.432 3.598 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000653338885 954171592 /nfs/dbraw/zinc/17/15/92/954171592.db2.gz PLDNYTYXNZCKDI-GOSISDBHSA-N -1 0 325.408 3.530 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(Cl)c(F)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653535798 954183863 /nfs/dbraw/zinc/18/38/63/954183863.db2.gz DLDIOEYJNYUMON-INTQDDNPSA-N -1 0 342.798 3.736 20 0 EHADRM CC(C)COc1cccc(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000655584407 954225914 /nfs/dbraw/zinc/22/59/14/954225914.db2.gz ZTXMDCDRGWNLQG-RRQGHBQHSA-N -1 0 347.455 3.587 20 0 EHADRM O=C([O-])C1(C(=O)NCC2(c3ccccc3)CCCC2)CCCCC1 ZINC001594855751 954232190 /nfs/dbraw/zinc/23/21/90/954232190.db2.gz BXGWPJJPUWBPPY-UHFFFAOYSA-N -1 0 329.440 3.650 20 0 EHADRM O=C([O-])C1(C(=O)NCC2(c3cccc(Cl)c3)CCCC2)CCC1 ZINC001594856765 954244370 /nfs/dbraw/zinc/24/43/70/954244370.db2.gz OXGDHGRGGHWOIA-UHFFFAOYSA-N -1 0 335.831 3.523 20 0 EHADRM CC(C)[C@@H](CNC(=O)N1CCC[C@H]1c1ccc(Cl)cc1)C(=O)[O-] ZINC000655890883 954270923 /nfs/dbraw/zinc/27/09/23/954270923.db2.gz UXPVITSJFBJNDC-CABCVRRESA-N -1 0 338.835 3.543 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(-c3ccc(Cl)cc3)c[nH]2)CC[C@@H]1C(=O)[O-] ZINC001589382543 954287326 /nfs/dbraw/zinc/28/73/26/954287326.db2.gz GZWDHTMDSTZOOV-NHYWBVRUSA-N -1 0 346.814 3.518 20 0 EHADRM CC1CC(C(=O)N2CCC(C)(C(=O)[O-])CC2)(c2cccc(Cl)c2)C1 ZINC000659143255 954310489 /nfs/dbraw/zinc/31/04/89/954310489.db2.gz UUGZUUDZNXPBBR-UHFFFAOYSA-N -1 0 349.858 3.721 20 0 EHADRM O=C([O-])C1(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)CCC1 ZINC001594872029 954364866 /nfs/dbraw/zinc/36/48/66/954364866.db2.gz NDLNDTRUQRGPKF-UHFFFAOYSA-N -1 0 336.800 3.657 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2cccc3c(Cl)nccc23)CC=CCC1 ZINC001594877753 954391830 /nfs/dbraw/zinc/39/18/30/954391830.db2.gz LLOAPVQFNAJDCD-KRWDZBQOSA-N -1 0 330.771 3.638 20 0 EHADRM O=C([O-])[C@@]1(C(=O)OCc2nc(-c3ccccc3)cs2)CC=CCC1 ZINC001594878631 954398132 /nfs/dbraw/zinc/39/81/32/954398132.db2.gz LRPDBRXJHNQWPD-GOSISDBHSA-N -1 0 343.404 3.664 20 0 EHADRM CN(Cc1nc2ccccc2s1)C(=O)C1(C(=O)[O-])CCCCCC1 ZINC000663030618 954403252 /nfs/dbraw/zinc/40/32/52/954403252.db2.gz KEWBKMURACWEKW-UHFFFAOYSA-N -1 0 346.452 3.680 20 0 EHADRM CN(CCc1cccc2ccccc21)C(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC001593756115 954455625 /nfs/dbraw/zinc/45/56/25/954455625.db2.gz ZZOILJSOTIBPID-KRWDZBQOSA-N -1 0 327.424 3.588 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000663101860 954487551 /nfs/dbraw/zinc/48/75/51/954487551.db2.gz LVSLTCAKTNIFSB-LJQANCHMSA-N -1 0 330.428 3.506 20 0 EHADRM C[C@@H]1N(C(=O)/C=C/c2ccc(C(=O)[O-])o2)c2ccccc2C1(C)C ZINC001589413140 954536485 /nfs/dbraw/zinc/53/64/85/954536485.db2.gz QCQPETZJPFTJSR-ZKQHCESOSA-N -1 0 325.364 3.704 20 0 EHADRM CC(C)[C@H](NC(=O)c1coc(/C=C/C(=O)[O-])c1)c1ccc(F)cc1 ZINC001602992454 972022205 /nfs/dbraw/zinc/02/22/05/972022205.db2.gz GCEIPDXZQHQIOV-OZSKJFCKSA-N -1 0 331.343 3.644 20 0 EHADRM CC(C)c1ccc(CN(C(=O)NCCCCC(=O)[O-])C2CC2)cc1 ZINC000666557491 954558643 /nfs/dbraw/zinc/55/86/43/954558643.db2.gz KZWSCBXYBAHSTO-UHFFFAOYSA-N -1 0 332.444 3.739 20 0 EHADRM CC[C@H](Cc1ccccc1)N(C)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000666562795 954560598 /nfs/dbraw/zinc/56/05/98/954560598.db2.gz PSZSHGKRCSXVOO-GOSISDBHSA-N -1 0 340.423 3.548 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(c2nnc(C(F)F)s2)CC1 ZINC000668167857 954565269 /nfs/dbraw/zinc/56/52/69/954565269.db2.gz ZZGQTZJYYKTZCQ-UHFFFAOYSA-N -1 0 339.367 3.558 20 0 EHADRM Cc1ccc(C)c(OCCCCC(=O)N2CCCC[C@H]2CC(=O)[O-])c1 ZINC000679398092 954593687 /nfs/dbraw/zinc/59/36/87/954593687.db2.gz ZVDGKMGVRHCDSZ-KRWDZBQOSA-N -1 0 347.455 3.708 20 0 EHADRM CCCN(Cc1ccc(C(=O)[O-])cc1Br)CC(F)F ZINC000386099508 972031447 /nfs/dbraw/zinc/03/14/47/972031447.db2.gz NYSLPZKCZGQQGK-UHFFFAOYSA-N -1 0 336.176 3.624 20 0 EHADRM CC(C)[C@H](SCc1ccccc1)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC001602994001 972033332 /nfs/dbraw/zinc/03/33/32/972033332.db2.gz UYICKPDWVOMTQY-XIRDDKMYSA-N -1 0 349.496 3.514 20 0 EHADRM O=C([O-])c1ccccc1CCNC(=O)Nc1cccc(C(F)F)c1 ZINC000386212181 972036219 /nfs/dbraw/zinc/03/62/19/972036219.db2.gz HUMDIOYPXXLTMF-UHFFFAOYSA-N -1 0 334.322 3.687 20 0 EHADRM CCC(C)(C)C1CCC(NC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)CC1 ZINC001589448192 954784494 /nfs/dbraw/zinc/78/44/94/954784494.db2.gz XXNZCRGOEZZOFU-FXQLRMTLSA-N -1 0 338.492 3.734 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2)cc1 ZINC001589464824 954893034 /nfs/dbraw/zinc/89/30/34/954893034.db2.gz SGEFSRPLERXKJU-RDTXWAMCSA-N -1 0 341.407 3.728 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)Nc2ccc3occc3c2)Cc2ccccc21 ZINC001594947786 954930285 /nfs/dbraw/zinc/93/02/85/954930285.db2.gz SOCDQGPQNJLOED-INIZCTEOSA-N -1 0 336.347 3.649 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1cc(C(F)F)ccc1F ZINC001594962937 955027440 /nfs/dbraw/zinc/02/74/40/955027440.db2.gz KUJDTYIKJANKCQ-OAHLLOKOSA-N -1 0 349.308 3.588 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)N(CC(F)(F)F)c2ccccc2)co1 ZINC001594965503 955048055 /nfs/dbraw/zinc/04/80/55/955048055.db2.gz UUSAPQNHQIGMJD-VOTSOKGWSA-N -1 0 339.269 3.587 20 0 EHADRM CC[C@@H](CNC(=O)C1(Cc2cccc(F)c2)CCCCC1)C(=O)[O-] ZINC001589518035 955076908 /nfs/dbraw/zinc/07/69/08/955076908.db2.gz OOWGXBGATHCLGI-HNNXBMFYSA-N -1 0 335.419 3.546 20 0 EHADRM CC[C@H](CNC(=O)N1CCCC[C@@H]1c1cccc(Cl)c1)C(=O)[O-] ZINC001589528362 955136876 /nfs/dbraw/zinc/13/68/76/955136876.db2.gz IRZSWWPAXXWWPT-IUODEOHRSA-N -1 0 338.835 3.687 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)c1ccccc1NCCC1=CCCCC1 ZINC001589002405 955341433 /nfs/dbraw/zinc/34/14/33/955341433.db2.gz RCFIEPMAEJBFQM-AWEZNQCLSA-N -1 0 330.428 3.582 20 0 EHADRM C[C@@](CNC(=O)/C=C\c1ccc(Cl)cc1)(C(=O)[O-])c1ccccc1 ZINC000799251292 955353413 /nfs/dbraw/zinc/35/34/13/955353413.db2.gz CVGNYEKZFUBGFA-ADYPVZHUSA-N -1 0 343.810 3.512 20 0 EHADRM Cc1sc(NC(=O)N2CCC[C@H]2C(=O)[O-])nc1C1CCCCC1 ZINC001594512200 955398777 /nfs/dbraw/zinc/39/87/77/955398777.db2.gz MYNGIDPJXUVSKE-LBPRGKRZSA-N -1 0 337.445 3.580 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 ZINC000828153037 955536354 /nfs/dbraw/zinc/53/63/54/955536354.db2.gz DZAXUSPVYVZQRR-JSGCOSHPSA-N -1 0 347.308 3.572 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1cccc(COc2ccccc2)c1 ZINC000844247553 955662378 /nfs/dbraw/zinc/66/23/78/955662378.db2.gz QJMPMEQILBZDCQ-QGZVFWFLSA-N -1 0 327.380 3.561 20 0 EHADRM C[C@@H](CNC(=O)NCc1ccccc1-c1ccc(Cl)cc1)C(=O)[O-] ZINC001589056149 955694996 /nfs/dbraw/zinc/69/49/96/955694996.db2.gz IFCRTFZOIULVPF-LBPRGKRZSA-N -1 0 346.814 3.527 20 0 EHADRM CC(C)Cc1ccc(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)s1 ZINC001603054499 972121860 /nfs/dbraw/zinc/12/18/60/972121860.db2.gz WNFZSZWVYGHNIE-LJQANCHMSA-N -1 0 345.464 3.719 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001589080573 955848440 /nfs/dbraw/zinc/84/84/40/955848440.db2.gz GAJDUSAAXHAJCQ-ZBEGNZNMSA-N -1 0 349.789 3.600 20 0 EHADRM C[C@H](Cc1ccco1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001589082141 955865899 /nfs/dbraw/zinc/86/58/99/955865899.db2.gz IRFCOVFJYDIBEM-MRVPVSSYSA-N -1 0 325.723 3.588 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)C1 ZINC000864110510 955938768 /nfs/dbraw/zinc/93/87/68/955938768.db2.gz SLWARFMNENGBKV-YBNHLDJLSA-N -1 0 339.391 3.571 20 0 EHADRM C[C@@H]1CN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)CC[C@@H]1c1ccccc1 ZINC000864113948 955942054 /nfs/dbraw/zinc/94/20/54/955942054.db2.gz YCWCTPDBUZEXDL-QLOXRLCESA-N -1 0 339.391 3.643 20 0 EHADRM O=C([O-])C1CCC(NC(=O)/C=C/c2ccsc2C(F)(F)F)CC1 ZINC000864120778 955949316 /nfs/dbraw/zinc/94/93/16/955949316.db2.gz NBRNVVJDHMUQSD-ZZXKWVIFSA-N -1 0 347.358 3.540 20 0 EHADRM CCc1cc2c(CC(=O)N3CCC[C@@]3(C)C(=O)[O-])csc2s1 ZINC000864140130 955963116 /nfs/dbraw/zinc/96/31/16/955963116.db2.gz MSPMSUQQAMSWAH-INIZCTEOSA-N -1 0 337.466 3.533 20 0 EHADRM C[C@](NC(=O)CCc1ccc(Cl)c(F)c1)(C(=O)[O-])c1ccccc1 ZINC001589095222 955980539 /nfs/dbraw/zinc/98/05/39/955980539.db2.gz XDCCWLSLNQAAHL-GOSISDBHSA-N -1 0 349.789 3.528 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)Nc2nc(C3CCCCC3)cs2)C1 ZINC000864607511 956009129 /nfs/dbraw/zinc/00/91/29/956009129.db2.gz TYOITESVGPIIMX-INIZCTEOSA-N -1 0 337.445 3.519 20 0 EHADRM CC(C)O[C@H](C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1ccccc1 ZINC001603076006 972147895 /nfs/dbraw/zinc/14/78/95/972147895.db2.gz RIBKTUANZIINFW-HOTGVXAUSA-N -1 0 335.444 3.548 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)c1cscn1 ZINC001589109078 956055803 /nfs/dbraw/zinc/05/58/03/956055803.db2.gz XMSWMIJPCVHZDU-ZCFIWIBFSA-N -1 0 343.767 3.517 20 0 EHADRM C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589114119 956077653 /nfs/dbraw/zinc/07/76/53/956077653.db2.gz GHSGVCUVQVOJPO-NFWSPEMXSA-N -1 0 349.858 3.695 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1Cl ZINC001603081647 972155898 /nfs/dbraw/zinc/15/58/98/972155898.db2.gz CNLJHWLFTWIGTG-MNOVXSKESA-N -1 0 340.807 3.502 20 0 EHADRM O=C([O-])c1nccc(Oc2cc(F)c(Cl)cc2Br)n1 ZINC000388462244 972171780 /nfs/dbraw/zinc/17/17/80/972171780.db2.gz FDYCATKUMIUQFF-UHFFFAOYSA-N -1 0 347.527 3.522 20 0 EHADRM CCN(C(=O)c1coc(/C=C\C(=O)[O-])c1)[C@H](C)Cc1ccsc1 ZINC000901631324 956394965 /nfs/dbraw/zinc/39/49/65/956394965.db2.gz WURLBPUZKBMUSJ-QMAVJUDZSA-N -1 0 333.409 3.532 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000901652729 956404508 /nfs/dbraw/zinc/40/45/08/956404508.db2.gz WAOZKXFRCUCQER-BDAKNGLRSA-N -1 0 349.736 3.684 20 0 EHADRM Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC000901786785 956468147 /nfs/dbraw/zinc/46/81/47/956468147.db2.gz RKLFPJSKOLBGRP-BZUAXINKSA-N -1 0 343.448 3.567 20 0 EHADRM C[C@@H](c1ccc(COC(=O)[C@@H](C(=O)[O-])C2CC2)cc1)C(F)(F)F ZINC001589174465 956479210 /nfs/dbraw/zinc/47/92/10/956479210.db2.gz HUMKGSUKGQGWJI-TVQRCGJNSA-N -1 0 330.302 3.506 20 0 EHADRM C[C@H](c1ccc(COC(=O)[C@@H](C(=O)[O-])C2CC2)cc1)C(F)(F)F ZINC001589174463 956479703 /nfs/dbraw/zinc/47/97/03/956479703.db2.gz HUMKGSUKGQGWJI-NOZJJQNGSA-N -1 0 330.302 3.506 20 0 EHADRM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1c(C(=O)[O-])cnn1C ZINC001589174658 956482136 /nfs/dbraw/zinc/48/21/36/956482136.db2.gz MOKKOLYMZRLNCC-SECBINFHSA-N -1 0 342.226 3.618 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(C)C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001589175408 956496473 /nfs/dbraw/zinc/49/64/73/956496473.db2.gz DCTBKHYOWDRPGJ-LBPRGKRZSA-N -1 0 347.798 3.637 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccc([C@H](F)C(F)(F)F)cc2)C1 ZINC000902702915 956776320 /nfs/dbraw/zinc/77/63/20/956776320.db2.gz VJZHSLKDCSCVMV-UMNHJUIQSA-N -1 0 333.281 3.699 20 0 EHADRM CSc1ccc(C(=O)N2C[C@@H](CCC(=O)[O-])Cc3ccccc32)o1 ZINC000902825046 956814522 /nfs/dbraw/zinc/81/45/22/956814522.db2.gz JQYJHCMDGIDGDK-LBPRGKRZSA-N -1 0 345.420 3.685 20 0 EHADRM O=C([O-])CC[C@@H]1Cc2ccccc2N(Cc2ncc(C3CC3)o2)C1 ZINC000903417579 956848550 /nfs/dbraw/zinc/84/85/50/956848550.db2.gz YPSZQJLSQWVPGA-CYBMUJFWSA-N -1 0 326.396 3.596 20 0 EHADRM C[C@@H]1CN(c2ccc(NCc3ccc(C(=O)[O-])s3)cc2)C[C@H](C)O1 ZINC000903673708 956853690 /nfs/dbraw/zinc/85/36/90/956853690.db2.gz DZVMSZCBDLZMFW-BETUJISGSA-N -1 0 346.452 3.672 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CC[C@@](C)(CCc2ccccc2)C1 ZINC001589240972 956887943 /nfs/dbraw/zinc/88/79/43/956887943.db2.gz FABAFJSGUVGHIE-OXQOHEQNSA-N -1 0 331.456 3.605 20 0 EHADRM O=C([O-])c1ccc(OCCOc2ccccc2Br)cc1 ZINC000011863429 956895442 /nfs/dbraw/zinc/89/54/42/956895442.db2.gz DQUBYGMFXAWOPM-UHFFFAOYSA-N -1 0 337.169 3.605 20 0 EHADRM CC[C@@H](C)c1ccc(NC(=O)COc2cccc(C(=O)[O-])c2)cc1 ZINC000013079996 956932157 /nfs/dbraw/zinc/93/21/57/956932157.db2.gz XLOPCGUJKWIMHR-CYBMUJFWSA-N -1 0 327.380 3.916 20 0 EHADRM Cc1ccc(NC(=O)COc2ccc(C(=O)[O-])cc2Cl)c(C)c1 ZINC000013084891 956934155 /nfs/dbraw/zinc/93/41/55/956934155.db2.gz OIEQSNXYZLRGHD-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM CCc1cccc(NC(=O)COc2cc(Cl)ccc2C(=O)[O-])c1 ZINC000013085367 956935188 /nfs/dbraw/zinc/93/51/88/956935188.db2.gz FGJNOPBZMBVMHE-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)c1ccc2c(c1)OCCO2 ZINC000013171489 956954415 /nfs/dbraw/zinc/95/44/15/956954415.db2.gz CETRUFOJLKKKIR-UHFFFAOYSA-N -1 0 349.342 3.562 20 0 EHADRM Cc1cccc(OCCC(=O)Nc2ccc(Cl)cc2C(=O)[O-])c1 ZINC000013187484 956971550 /nfs/dbraw/zinc/97/15/50/956971550.db2.gz LGUMNGMUFHSPAY-UHFFFAOYSA-N -1 0 333.771 3.754 20 0 EHADRM O=C([O-])/C=C/c1ccc(NCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000013189745 956975249 /nfs/dbraw/zinc/97/52/49/956975249.db2.gz RYQVTOZRRWOIGM-XBXARRHUSA-N -1 0 332.743 3.958 20 0 EHADRM O=C([O-])C1(NC(=O)c2csc(C3CCCCC3)n2)CCCCC1 ZINC001594721703 956976453 /nfs/dbraw/zinc/97/64/53/956976453.db2.gz YJBSBNYSQSAWSI-UHFFFAOYSA-N -1 0 336.457 3.708 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CSc2ccc(F)c(Cl)c2)cc1 ZINC000013230878 956985814 /nfs/dbraw/zinc/98/58/14/956985814.db2.gz QEQBGWPTBWKZMU-UHFFFAOYSA-N -1 0 339.775 3.908 20 0 EHADRM Cc1cc(C)c(NC(=O)COc2cc(C(=O)[O-])ccc2C)c(C)c1 ZINC000013248554 956990332 /nfs/dbraw/zinc/99/03/32/956990332.db2.gz ICDALMAVTSENFG-UHFFFAOYSA-N -1 0 327.380 3.636 20 0 EHADRM CCCCCC[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000013250644 956991981 /nfs/dbraw/zinc/99/19/81/956991981.db2.gz OBOQVSJRYYKZCJ-NSHDSACASA-N -1 0 347.864 3.675 20 0 EHADRM Cc1cc(NC(=O)c2ccc(C(=O)[O-])cc2)ccc1Br ZINC000013254203 956993402 /nfs/dbraw/zinc/99/34/02/956993402.db2.gz PAPFSHWVFHOVFQ-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(Cl)cc1F)c1ccc(F)cc1 ZINC000013257872 956995266 /nfs/dbraw/zinc/99/52/66/956995266.db2.gz CTXKEENZTOXWKA-AWEZNQCLSA-N -1 0 339.725 3.564 20 0 EHADRM O=C([O-])C1CCC(NC(=O)c2csc(C3CCCCC3)n2)CC1 ZINC000909158059 957005812 /nfs/dbraw/zinc/00/58/12/957005812.db2.gz VUAZFRYWFSAVDZ-UHFFFAOYSA-N -1 0 336.457 3.564 20 0 EHADRM O=C([O-])c1ccc([N+](=O)[O-])c(OCc2ccc(C(F)(F)F)cc2)c1 ZINC000013309641 957015252 /nfs/dbraw/zinc/01/52/52/957015252.db2.gz VYSJYUJWXYHHBD-UHFFFAOYSA-N -1 0 341.241 3.891 20 0 EHADRM CC/C(=C/C(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccc(OC)cc1 ZINC000909476515 957019576 /nfs/dbraw/zinc/01/95/76/957019576.db2.gz FDOTYXYXJVHCAQ-NWCRWOLESA-N -1 0 345.439 3.592 20 0 EHADRM C[C@H](CCC(C)(C)C)NC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001603142631 972234994 /nfs/dbraw/zinc/23/49/94/972234994.db2.gz RRVGEPMBNHMFMC-AUUYWEPGSA-N -1 0 334.460 3.543 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)COc1ccc(CC(=O)[O-])cc1 ZINC000013420770 957064229 /nfs/dbraw/zinc/06/42/29/957064229.db2.gz BFDMVAZICQQQHU-UHFFFAOYSA-N -1 0 341.407 3.763 20 0 EHADRM CN(C(=O)CSCc1cccc(Cl)c1)c1ccccc1C(=O)[O-] ZINC000013440893 957078857 /nfs/dbraw/zinc/07/88/57/957078857.db2.gz IZFLESGIWQANPD-UHFFFAOYSA-N -1 0 349.839 3.934 20 0 EHADRM COc1ccc2cc(C(=O)NCCc3ccc(C(=O)[O-])cc3)ccc2c1 ZINC000013443239 957082685 /nfs/dbraw/zinc/08/26/85/957082685.db2.gz MTHBCQNZAPCFPZ-UHFFFAOYSA-N -1 0 349.386 3.519 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)[C@H]2CCC[C@@H](F)C2)CC1 ZINC001118061317 957158789 /nfs/dbraw/zinc/15/87/89/957158789.db2.gz SQJUMWOOOYWDHS-LSDHHAIUSA-N -1 0 333.403 3.619 20 0 EHADRM CCCCOc1ccc(OC)cc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000030521861 957168022 /nfs/dbraw/zinc/16/80/22/957168022.db2.gz KGCPHOXVXMWJEE-UHFFFAOYSA-N -1 0 337.416 3.704 20 0 EHADRM O=C([O-])c1ccccc1C(=O)Nc1ccc(Br)cc1F ZINC000035123648 957198334 /nfs/dbraw/zinc/19/83/34/957198334.db2.gz FWQYTEZIYGBCJP-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM CC(C)(CCNC(=O)N1C[C@@H]2CCCC[C@@]21c1ccccc1)C(=O)[O-] ZINC001326584438 957326230 /nfs/dbraw/zinc/32/62/30/957326230.db2.gz WSEMVVOTCHCMGD-OXJNMPFZSA-N -1 0 344.455 3.598 20 0 EHADRM CC(C)[C@H](CNC(=O)N1CCC[C@@H]1c1cccc(Cl)c1)C(=O)[O-] ZINC001326842930 957333339 /nfs/dbraw/zinc/33/33/39/957333339.db2.gz ABTCIDPKVKSVOG-LSDHHAIUSA-N -1 0 338.835 3.543 20 0 EHADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000390100889 972264993 /nfs/dbraw/zinc/26/49/93/972264993.db2.gz YOZCIBLGIMYDQU-LLVKDONJSA-N -1 0 326.824 3.543 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000075288744 957741899 /nfs/dbraw/zinc/74/18/99/957741899.db2.gz VHCLLEXVYIMQPK-UHFFFAOYSA-N -1 0 325.364 3.603 20 0 EHADRM O=C([O-])c1cc(NC(=O)NC2CCC(F)(F)CC2)ccc1Cl ZINC000390519797 972291411 /nfs/dbraw/zinc/29/14/11/972291411.db2.gz UBZMIVZVUJRKNC-UHFFFAOYSA-N -1 0 332.734 3.738 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@H]2CCCc3ccc(F)cc32)c1 ZINC001594288380 957796407 /nfs/dbraw/zinc/79/64/07/957796407.db2.gz MZBOUPPBGAPESH-KRWDZBQOSA-N -1 0 327.355 3.640 20 0 EHADRM Cc1cc([C@@H](NC(=O)c2coc(/C=C/C(=O)[O-])c2)C2CC2)ccc1F ZINC001594293754 957845882 /nfs/dbraw/zinc/84/58/82/957845882.db2.gz NEWOLRSTDMHEPT-FZMUQLTDSA-N -1 0 343.354 3.706 20 0 EHADRM CON(C(=O)c1sc2cccc(Cl)c2c1Cl)[C@H](C)C(=O)[O-] ZINC001594040018 957857193 /nfs/dbraw/zinc/85/71/93/957857193.db2.gz IQZCTJVZATWVDX-ZCFIWIBFSA-N -1 0 348.207 3.685 20 0 EHADRM C[C@H](CSCc1ccccc1)c1nc(C2(C(=O)[O-])CCC2)no1 ZINC001603199900 972305621 /nfs/dbraw/zinc/30/56/21/972305621.db2.gz TYRVVFUGWQHROR-GFCCVEGCSA-N -1 0 332.425 3.613 20 0 EHADRM Cc1cc(C)cc(CCNC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001594294948 957868248 /nfs/dbraw/zinc/86/82/48/957868248.db2.gz PNZHOQKZUXQPRH-UHFFFAOYSA-N -1 0 326.396 3.674 20 0 EHADRM CCCc1cnc([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)s1 ZINC000183198422 1125467475 /nfs/dbraw/zinc/46/74/75/1125467475.db2.gz YVISXETZDSPFNU-CMDGGOBGSA-N -1 0 326.418 3.647 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N1CCCCC[C@H]1C(F)(F)F ZINC001574815493 957891586 /nfs/dbraw/zinc/89/15/86/957891586.db2.gz ZDUHGYYIXWSORS-LBPRGKRZSA-N -1 0 330.306 3.724 20 0 EHADRM O=C([O-])CCCCCCNC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000390747325 972302254 /nfs/dbraw/zinc/30/22/54/972302254.db2.gz XYCHLKWFRFUXBS-UHFFFAOYSA-N -1 0 332.322 3.862 20 0 EHADRM CON(C[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001594044122 957905190 /nfs/dbraw/zinc/90/51/90/957905190.db2.gz RIHRIIQSCQUPBV-KGLIPLIRSA-N -1 0 334.416 3.535 20 0 EHADRM CC(C)c1ccc(C[C@H](C)NC(=O)Nc2cncc(C(=O)[O-])c2)cc1 ZINC001603199442 972302663 /nfs/dbraw/zinc/30/26/63/972302663.db2.gz COKISANWYXUXMU-ZDUSSCGKSA-N -1 0 341.411 3.656 20 0 EHADRM C[C@@H]1c2ccccc2CN1C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001340585255 957941778 /nfs/dbraw/zinc/94/17/78/957941778.db2.gz LITRHXGCERLGIY-UUWFMWQGSA-N -1 0 336.391 3.586 20 0 EHADRM Cc1cc(Cl)cc(C)c1OC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001594307694 957982220 /nfs/dbraw/zinc/98/22/20/957982220.db2.gz UZKXXIKXBISTQH-UHFFFAOYSA-N -1 0 334.755 3.639 20 0 EHADRM Cc1cc(NC(=O)N(C)Cc2cc(F)cc(F)c2)ccc1C(=O)[O-] ZINC001594318105 958092568 /nfs/dbraw/zinc/09/25/68/958092568.db2.gz HTGXAWDDUVALJL-UHFFFAOYSA-N -1 0 334.322 3.635 20 0 EHADRM Cc1cc(NC(=O)NC2(C(=O)[O-])CCCC2)ccc1-c1ccncc1 ZINC001594319404 958110317 /nfs/dbraw/zinc/11/03/17/958110317.db2.gz CKOJOSOWQYIQAR-UHFFFAOYSA-N -1 0 339.395 3.576 20 0 EHADRM COc1cc(NC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)ccc1OC(C)C ZINC001594062952 958112629 /nfs/dbraw/zinc/11/26/29/958112629.db2.gz NIQAGEOZALNDJX-UHFFFAOYSA-N -1 0 349.427 3.558 20 0 EHADRM Cc1cc(NC(=O)N2Cc3ccccc3OC[C@@H]2C)ccc1C(=O)[O-] ZINC001594319886 958116697 /nfs/dbraw/zinc/11/66/97/958116697.db2.gz SLCSPKXYDGGQEA-ZDUSSCGKSA-N -1 0 340.379 3.508 20 0 EHADRM C[C@H](Cc1nc([C@H](C)C(=O)[O-])no1)c1ccccc1C(F)(F)F ZINC001603208601 972321799 /nfs/dbraw/zinc/32/17/99/972321799.db2.gz XDRZQBHRFFBKKG-BDAKNGLRSA-N -1 0 328.290 3.623 20 0 EHADRM C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)c1csc2ccccc21 ZINC001353058629 958140159 /nfs/dbraw/zinc/14/01/59/958140159.db2.gz OHMSWXQRLUEKRA-DYEKYZERSA-N -1 0 346.452 3.715 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])ccc1C(C)C ZINC001594326394 958176251 /nfs/dbraw/zinc/17/62/51/958176251.db2.gz DIGCNQLRMOJHRX-DDUZABMNSA-N -1 0 347.455 3.597 20 0 EHADRM Cc1cc(O[C@H](C)c2nc(C3(C(=O)[O-])CCC3)no2)ccc1Cl ZINC001594327926 958187900 /nfs/dbraw/zinc/18/79/00/958187900.db2.gz FBASTJGCVHTZAW-SNVBAGLBSA-N -1 0 336.775 3.678 20 0 EHADRM Cc1cc2nc(NC[C@H](CC(=O)[O-])CC(C)C)c3ccccc3n2n1 ZINC001594332089 958235970 /nfs/dbraw/zinc/23/59/70/958235970.db2.gz KUIHILURGYXXPR-AWEZNQCLSA-N -1 0 340.427 3.740 20 0 EHADRM Cc1cc2nc(Oc3ccc(CC(=O)[O-])cc3)c3ccccc3n2n1 ZINC001594332243 958237476 /nfs/dbraw/zinc/23/74/76/958237476.db2.gz MYEUGCJPHJNYRJ-UHFFFAOYSA-N -1 0 333.347 3.610 20 0 EHADRM Cc1sc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)c(C(=O)[O-])c1C ZINC000391365138 972331013 /nfs/dbraw/zinc/33/10/13/972331013.db2.gz FHAWQFKSTSBBCE-UHFFFAOYSA-N -1 0 334.353 3.532 20 0 EHADRM Cc1ccc(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1Cl ZINC001594346511 958322214 /nfs/dbraw/zinc/32/22/14/958322214.db2.gz VPWMLZJEWROICD-GOEBONIOSA-N -1 0 329.783 3.691 20 0 EHADRM Cc1ccc(C(C)(C)CN(C)C(=O)[C@@H](C(=O)[O-])C2CCCC2)cc1 ZINC001594350020 958342184 /nfs/dbraw/zinc/34/21/84/958342184.db2.gz UJFPQRBEUGYXIC-KRWDZBQOSA-N -1 0 331.456 3.622 20 0 EHADRM Cc1ccc([C@H](NC(=O)[C@H](C)C(=O)[O-])c2ccc(F)cc2Cl)cc1 ZINC001594351228 958357300 /nfs/dbraw/zinc/35/73/00/958357300.db2.gz WSXSWOQUBXHYQI-ZBEGNZNMSA-N -1 0 349.789 3.714 20 0 EHADRM Cc1ccc(CC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)s1 ZINC001594354829 958404773 /nfs/dbraw/zinc/40/47/73/958404773.db2.gz ITJNNNMPNDFTQL-UHFFFAOYSA-N -1 0 327.764 3.728 20 0 EHADRM Cc1ccc(C[C@H](C)N(C)C(=O)c2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001594355708 958415822 /nfs/dbraw/zinc/41/58/22/958415822.db2.gz YUQBGLJLPHAECN-HNNXBMFYSA-N -1 0 325.408 3.705 20 0 EHADRM COc1ccc(F)c2[nH]c(C(=O)Nc3ccc(C(=O)[O-])c(C)c3)cc21 ZINC001594100099 958430935 /nfs/dbraw/zinc/43/09/35/958430935.db2.gz VGAPPBJEGNIPGX-UHFFFAOYSA-N -1 0 342.326 3.575 20 0 EHADRM Cc1ccc(Cl)c2sc(NC(=O)[C@@H](C(=O)[O-])C(C)C)nc21 ZINC001594363048 958470505 /nfs/dbraw/zinc/47/05/05/958470505.db2.gz IIGFNPQLGJDIEN-VIFPVBQESA-N -1 0 326.805 3.553 20 0 EHADRM Cc1ccc(N(Cc2cnn(C)c2)Cc2cccc(C(=O)[O-])c2)cc1 ZINC001594366356 958492483 /nfs/dbraw/zinc/49/24/83/958492483.db2.gz FKRHNMFSMVZXSZ-UHFFFAOYSA-N -1 0 335.407 3.634 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(Br)c(C(=O)[O-])c1)C(C)(C)C ZINC000123206957 958496138 /nfs/dbraw/zinc/49/61/38/958496138.db2.gz JHYZLFMPJJBYMI-MRVPVSSYSA-N -1 0 343.221 3.703 20 0 EHADRM O=C([O-])Cc1ccccc1CSc1ccc(Br)cn1 ZINC000123310672 958498121 /nfs/dbraw/zinc/49/81/21/958498121.db2.gz CGRIAJZXYVKLBT-UHFFFAOYSA-N -1 0 338.226 3.764 20 0 EHADRM O=C([O-])Cc1ccccc1CNC(=O)c1cc2ccc(F)cc2s1 ZINC000391701117 972358086 /nfs/dbraw/zinc/35/80/86/972358086.db2.gz XXWBEWGCNDNYHM-UHFFFAOYSA-N -1 0 343.379 3.598 20 0 EHADRM Cc1ccc(NC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c(F)c1 ZINC001594372769 958551683 /nfs/dbraw/zinc/55/16/83/958551683.db2.gz PRRQBTAYVIMXON-BBRMVZONSA-N -1 0 328.343 3.569 20 0 EHADRM COc1ccc2cc(C(=O)NCc3cccc(C(=O)[O-])c3)sc2c1 ZINC001594117869 958569340 /nfs/dbraw/zinc/56/93/40/958569340.db2.gz PNBJTQMHNRIIND-UHFFFAOYSA-N -1 0 341.388 3.538 20 0 EHADRM Cc1ccc(Oc2ccc(C(=O)Nc3cncc(C(=O)[O-])c3)cc2)nc1 ZINC001594375771 958584967 /nfs/dbraw/zinc/58/49/67/958584967.db2.gz HAPSOPURFLIVON-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC001588482082 958598797 /nfs/dbraw/zinc/59/87/97/958598797.db2.gz RWLCPPFJPLZANX-ZDRDQBANSA-N -1 0 335.403 3.609 20 0 EHADRM C[C@@H](C(=O)Nc1ncccc1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001573363859 958609651 /nfs/dbraw/zinc/60/96/51/958609651.db2.gz NRTVBEOYEGBRGX-SECBINFHSA-N -1 0 338.285 3.541 20 0 EHADRM C[C@@H](C(=O)Nc1ccnc(C(=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC001573366047 958625509 /nfs/dbraw/zinc/62/55/09/958625509.db2.gz ZRAQKPGXHFIRHF-SECBINFHSA-N -1 0 338.285 3.541 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)Nc1cccc(Oc2ccnc3ccccc32)c1 ZINC001573372499 958639787 /nfs/dbraw/zinc/63/97/87/958639787.db2.gz UMTQHYXZMCBAAX-GFCCVEGCSA-N -1 0 336.347 3.686 20 0 EHADRM Cc1ccc2cc(C(=O)N[C@H]3C[C@H](C(=O)[O-])c4ccccc43)ccc2n1 ZINC001594382216 958644815 /nfs/dbraw/zinc/64/48/15/958644815.db2.gz RQZFZLQRVHKLTK-HKUYNNGSSA-N -1 0 346.386 3.586 20 0 EHADRM Cc1cccc([C@@H](NC(=O)[C@H](C)c2cccc(Cl)c2)C(=O)[O-])c1 ZINC001594390202 958704371 /nfs/dbraw/zinc/70/43/71/958704371.db2.gz FVNVOVCZSZLAHU-MLGOLLRUSA-N -1 0 331.799 3.694 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1ccc(O[C@@H]2CC2(F)F)cc1 ZINC001594391165 958723039 /nfs/dbraw/zinc/72/30/39/958723039.db2.gz XZLPUPZONKKZKZ-CQSZACIVSA-N -1 0 347.317 3.732 20 0 EHADRM COc1ccccc1C1(NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)CC1 ZINC001594144470 958751263 /nfs/dbraw/zinc/75/12/63/958751263.db2.gz RSRQGCLSMWYABA-UHFFFAOYSA-N -1 0 340.379 3.513 20 0 EHADRM COc1ccccc1C/C(C)=C/C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001594145302 958755947 /nfs/dbraw/zinc/75/59/47/958755947.db2.gz MZUVVQNMFIXWLY-VUSFMPOISA-N -1 0 347.455 3.580 20 0 EHADRM Cc1cccc(C)c1NC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001594400854 958855122 /nfs/dbraw/zinc/85/51/22/958855122.db2.gz ULHLZHMSTBPOGU-DLBZAZTESA-N -1 0 338.407 3.636 20 0 EHADRM CC(C)(C)Oc1c(F)cc(NC(=O)[C@]2(C(=O)[O-])CC2(C)C)cc1F ZINC001573458070 958913625 /nfs/dbraw/zinc/91/36/25/958913625.db2.gz RINGFBJDDGELIT-KRWDZBQOSA-N -1 0 341.354 3.582 20 0 EHADRM Cc1ccccc1-c1cnc(NC(=O)[C@]2(C(=O)[O-])CC2(C)C)s1 ZINC001594413508 958971217 /nfs/dbraw/zinc/97/12/17/958971217.db2.gz FFNPMDOYULUKPI-KRWDZBQOSA-N -1 0 330.409 3.558 20 0 EHADRM CC(C)(NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccc(Cl)cc1 ZINC001573478727 958971765 /nfs/dbraw/zinc/97/17/65/958971765.db2.gz ZSWWWHHOAFLCIX-NTMALXAHSA-N -1 0 333.771 3.696 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)Nc2sc3c(c2C(=O)[O-])COCC3)C1(C)C ZINC001573484326 958984321 /nfs/dbraw/zinc/98/43/21/958984321.db2.gz HBJZMCDEKWTPKY-BXUZGUMPSA-N -1 0 349.452 3.696 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2sc3c(c2C(=O)[O-])COCC3)C1(C)C ZINC001573484330 958984608 /nfs/dbraw/zinc/98/46/08/958984608.db2.gz HBJZMCDEKWTPKY-RISCZKNCSA-N -1 0 349.452 3.696 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001573489484 959000488 /nfs/dbraw/zinc/00/04/88/959000488.db2.gz FQXRHIHBZNYAAM-IBGZPJMESA-N -1 0 326.396 3.623 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)Nc2ccc3ccccc3c2)C1 ZINC000391955422 972394284 /nfs/dbraw/zinc/39/42/84/972394284.db2.gz FIJLJLMTVYQQPY-AWEZNQCLSA-N -1 0 326.396 3.949 20 0 EHADRM CC(C)[C@@H](CNC(=O)N1CCC(CC2CCCCC2)CC1)C(=O)[O-] ZINC001573491805 959028589 /nfs/dbraw/zinc/02/85/89/959028589.db2.gz OLGHITVTWKMYOK-QGZVFWFLSA-N -1 0 338.492 3.735 20 0 EHADRM CC(C)[C@H](CNC(=O)c1cc2c(ccc3ccccc23)o1)C(=O)[O-] ZINC001573497811 959034734 /nfs/dbraw/zinc/03/47/34/959034734.db2.gz AMCSMWQDDAUPFL-HNNXBMFYSA-N -1 0 325.364 3.673 20 0 EHADRM Cc1ccccc1Oc1cccc(NC(=O)c2cnc(C(=O)[O-])cn2)c1 ZINC001594418773 959040920 /nfs/dbraw/zinc/04/09/20/959040920.db2.gz KPOHAYSCEXDYJU-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM COc1cc(NC(=O)c2cccc(C)c2Cl)c(C(=O)[O-])cc1OC ZINC000392029883 972402518 /nfs/dbraw/zinc/40/25/18/972402518.db2.gz GKQNGJZPNPJBDH-UHFFFAOYSA-N -1 0 349.770 3.616 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1cc(-c2ccccc2)ns1)CC(=O)[O-] ZINC001573536544 959171992 /nfs/dbraw/zinc/17/19/92/959171992.db2.gz KSCDORALRMOHCR-ZDUSSCGKSA-N -1 0 346.452 3.677 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1 ZINC001573539472 959185106 /nfs/dbraw/zinc/18/51/06/959185106.db2.gz LTTMWIFFLWASIH-YJBOKZPZSA-N -1 0 331.456 3.529 20 0 EHADRM CSc1ccc(CCC(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC001594194283 959186179 /nfs/dbraw/zinc/18/61/79/959186179.db2.gz HBCROQAFZTXFON-UHFFFAOYSA-N -1 0 329.421 3.607 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)NCC1(c2ccc(C(C)(C)C)cc2)CCCC1 ZINC001588572594 959191888 /nfs/dbraw/zinc/19/18/88/959191888.db2.gz LSJZWGUCIDLDIQ-CQSZACIVSA-N -1 0 331.456 3.633 20 0 EHADRM Cc1nc(-c2ccccc2NC(=O)N([C@H](C)C(=O)[O-])C2CC2)cs1 ZINC001594445941 959327651 /nfs/dbraw/zinc/32/76/51/959327651.db2.gz KSGDXBFCUNEHPU-SNVBAGLBSA-N -1 0 345.424 3.588 20 0 EHADRM C[C@@H](CCNC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)CC(C)(C)C ZINC001573580616 959352056 /nfs/dbraw/zinc/35/20/56/959352056.db2.gz PXUTUWMHJILEOG-GJZGRUSLSA-N -1 0 326.481 3.735 20 0 EHADRM O=C([O-])c1cccc2[nH]c(NC(=O)c3ccc(C(F)(F)F)cc3)nc21 ZINC000168521691 959380131 /nfs/dbraw/zinc/38/01/31/959380131.db2.gz DTLIBNXVSVZKFS-UHFFFAOYSA-N -1 0 349.268 3.532 20 0 EHADRM CC(C)c1ccc([C@@H](NC(=O)CCC(=O)[O-])c2cccs2)cc1 ZINC000179075544 959432174 /nfs/dbraw/zinc/43/21/74/959432174.db2.gz JNQKRGYRPJPJLM-GOSISDBHSA-N -1 0 331.437 3.942 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)NCc1ccccc1C(=O)[O-] ZINC001573608133 959464163 /nfs/dbraw/zinc/46/41/63/959464163.db2.gz NFMJXQCDAWAJGN-GFCCVEGCSA-N -1 0 331.799 3.533 20 0 EHADRM Cc1nc2ccc(NC(=O)c3coc(/C=C\C(=O)[O-])c3)cc2s1 ZINC001594464187 959491722 /nfs/dbraw/zinc/49/17/22/959491722.db2.gz JDJVHPXLWKDSIK-HYXAFXHYSA-N -1 0 328.349 3.548 20 0 EHADRM Cc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)c1Cl ZINC000190492579 959512163 /nfs/dbraw/zinc/51/21/63/959512163.db2.gz XFIVLHOQUMKHRP-AWEZNQCLSA-N -1 0 335.762 3.733 20 0 EHADRM CCC[C@](C)(NC(=O)c1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000190712189 959519053 /nfs/dbraw/zinc/51/90/53/959519053.db2.gz IRKZAPMUXHDIAY-HNNXBMFYSA-N -1 0 331.334 3.555 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)c2cccc(-c3ccoc3)c2)c1 ZINC000190915204 959527354 /nfs/dbraw/zinc/52/73/54/959527354.db2.gz SRJFCDQWIKYLFK-UHFFFAOYSA-N -1 0 337.331 3.662 20 0 EHADRM C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)CC(C)(C)CC(=O)[O-] ZINC000191141179 959541987 /nfs/dbraw/zinc/54/19/87/959541987.db2.gz MOQYHMVMUNZJBB-JTQLQIEISA-N -1 0 346.254 3.932 20 0 EHADRM C[C@H](OC(=O)C1(C(=O)[O-])CCSCC1)c1cccc(Cl)c1F ZINC001594242529 959543787 /nfs/dbraw/zinc/54/37/87/959543787.db2.gz KQFRSLOHJXPNGI-VIFPVBQESA-N -1 0 346.807 3.681 20 0 EHADRM Cc1[nH]c2ccc(C(=O)N(C)C3(C(=O)[O-])CCCCC3)cc2c1C ZINC000191292586 959549688 /nfs/dbraw/zinc/54/96/88/959549688.db2.gz XKXDLDHZKWMEGF-UHFFFAOYSA-N -1 0 328.412 3.644 20 0 EHADRM Cc1[nH]c2ccccc2c1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000191435043 959568612 /nfs/dbraw/zinc/56/86/12/959568612.db2.gz WAJBLYROSNTFQY-LBPRGKRZSA-N -1 0 336.391 3.992 20 0 EHADRM O=C([O-])C1(CNC(=O)Cc2c[nH]c3cc(Cl)ccc23)CCCCC1 ZINC000191494266 959571668 /nfs/dbraw/zinc/57/16/68/959571668.db2.gz FIOCRSNJAXAZLW-UHFFFAOYSA-N -1 0 348.830 3.515 20 0 EHADRM O=C([O-])C1(CNC(=O)c2ccc(Cl)c3cccnc23)CCCCC1 ZINC000191508456 959573841 /nfs/dbraw/zinc/57/38/41/959573841.db2.gz BNRNCAOJQBOAHA-UHFFFAOYSA-N -1 0 346.814 3.653 20 0 EHADRM Cc1cc(C)cc(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000191528292 959577295 /nfs/dbraw/zinc/57/72/95/959577295.db2.gz WQXUQTCZORSLQF-SFHVURJKSA-N -1 0 325.408 3.509 20 0 EHADRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)CCCc1cccs1 ZINC000191539692 959579634 /nfs/dbraw/zinc/57/96/34/959579634.db2.gz MLGRCDYHUSXVJS-INIZCTEOSA-N -1 0 345.464 3.663 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Nc2cccc(-c3ncco3)c2)cc1 ZINC000191586617 959582864 /nfs/dbraw/zinc/58/28/64/959582864.db2.gz ONQDAQOIZJVCLY-UHFFFAOYSA-N -1 0 336.347 3.611 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])o1)c1ccc(-c2ccncc2)cc1 ZINC000191626262 959585453 /nfs/dbraw/zinc/58/54/53/959585453.db2.gz QBAYEPUQYARCDZ-GFCCVEGCSA-N -1 0 336.347 3.531 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 ZINC000191616446 959585515 /nfs/dbraw/zinc/58/55/15/959585515.db2.gz VFXYZHVCAAHELT-DTWKUNHWSA-N -1 0 347.745 3.771 20 0 EHADRM C[C@H](NC(=O)c1cc(C(=O)[O-])co1)c1ccc(-c2ccncc2)cc1 ZINC000191626497 959587415 /nfs/dbraw/zinc/58/74/15/959587415.db2.gz HRGAHQOVIHYQFR-LBPRGKRZSA-N -1 0 336.347 3.531 20 0 EHADRM CCc1ccc(C(C)(C)C(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000192872660 959594403 /nfs/dbraw/zinc/59/44/03/959594403.db2.gz ABBMLPIMVKYRHE-UHFFFAOYSA-N -1 0 343.423 3.785 20 0 EHADRM COc1ccc(-c2cc(C(=O)N(CC(=O)[O-])C(C)C)sc2C)cc1 ZINC000194954108 959623550 /nfs/dbraw/zinc/62/35/50/959623550.db2.gz KLVRMDFMFRJLCV-UHFFFAOYSA-N -1 0 347.436 3.667 20 0 EHADRM CCc1ccc(C(=O)CCC(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000195203907 959623946 /nfs/dbraw/zinc/62/39/46/959623946.db2.gz GETNJVLBBJULKW-UHFFFAOYSA-N -1 0 343.354 3.688 20 0 EHADRM CCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000198873329 959631423 /nfs/dbraw/zinc/63/14/23/959631423.db2.gz RQUMERZGMVCZSD-KRWDZBQOSA-N -1 0 330.428 3.640 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1cccc(COCc2ccco2)c1 ZINC001588634308 959636290 /nfs/dbraw/zinc/63/62/90/959636290.db2.gz OTNXTKRADZKDQU-INIZCTEOSA-N -1 0 345.395 3.682 20 0 EHADRM CC(C)(C)[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(F)cc1F ZINC001588639408 959676703 /nfs/dbraw/zinc/67/67/03/959676703.db2.gz OGXASMNHQWULEQ-FIXISWKDSA-N -1 0 339.382 3.669 20 0 EHADRM CC1(C)C[C@]1(C)CNC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001573667387 959701108 /nfs/dbraw/zinc/70/11/08/959701108.db2.gz GQNYBNOQPFJIMS-HXUWFJFHSA-N -1 0 344.455 3.710 20 0 EHADRM CC(C)(C)[C@@H]1CCC[C@H](NC(=O)C2(C(=O)[O-])CCSCC2)CC1 ZINC001588643778 959719359 /nfs/dbraw/zinc/71/93/59/959719359.db2.gz VIJQHLMTTVKANM-KGLIPLIRSA-N -1 0 341.517 3.696 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)[C@@H]1CSC[C@H]1c1ccccc1)C(=O)[O-] ZINC001588648357 959746991 /nfs/dbraw/zinc/74/69/91/959746991.db2.gz MBGZZTBOJKTONH-ARFHVFGLSA-N -1 0 349.496 3.529 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)OC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001594269155 959782532 /nfs/dbraw/zinc/78/25/32/959782532.db2.gz YGICYGBJBFDOTP-IHRRRGAJSA-N -1 0 346.379 3.615 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC001573711377 959851473 /nfs/dbraw/zinc/85/14/73/959851473.db2.gz MGMKFILQYKMBEZ-DTWKUNHWSA-N -1 0 349.736 3.684 20 0 EHADRM C[C@@H]1CCCN(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)[C@@H]1C(=O)[O-] ZINC001573723201 959883933 /nfs/dbraw/zinc/88/39/33/959883933.db2.gz PFUMRSQERKGOIU-PJSQDVQBSA-N -1 0 329.440 3.709 20 0 EHADRM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000392323300 972471883 /nfs/dbraw/zinc/47/18/83/972471883.db2.gz VTIOWJPKALFBFI-LLVKDONJSA-N -1 0 348.296 3.719 20 0 EHADRM Cc1sc2ncnc(N3CCc4c(cccc4C(=O)[O-])C3)c2c1C ZINC000392330928 972473395 /nfs/dbraw/zinc/47/33/95/972473395.db2.gz QMEDCRDKLDJYBH-UHFFFAOYSA-N -1 0 339.420 3.569 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1 ZINC001574233655 960428316 /nfs/dbraw/zinc/42/83/16/960428316.db2.gz RINFNOYPSUPRSF-IIDMSEBBSA-N -1 0 347.455 3.538 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000392625208 972503713 /nfs/dbraw/zinc/50/37/13/972503713.db2.gz FZYRZKKZRBEMHC-UHFFFAOYSA-N -1 0 342.395 3.836 20 0 EHADRM CSc1ccc(Cl)c(C(=O)NCC2(CC(=O)[O-])CCCC2)c1 ZINC001123290395 960446412 /nfs/dbraw/zinc/44/64/12/960446412.db2.gz UFIDFYFOFMIMGO-UHFFFAOYSA-N -1 0 341.860 3.827 20 0 EHADRM COc1ccccc1CN(C(=O)Nc1cccc(C(=O)[O-])c1)C1CC1 ZINC001574239640 960462186 /nfs/dbraw/zinc/46/21/86/960462186.db2.gz ZKDINAOKFYVSPI-UHFFFAOYSA-N -1 0 340.379 3.590 20 0 EHADRM CCC(CC)n1ccc(COc2cc(/C=C\C(=O)[O-])ccc2OC)n1 ZINC000392664250 972507399 /nfs/dbraw/zinc/50/73/99/972507399.db2.gz UFRUJGWVRARZRL-CLFYSBASSA-N -1 0 344.411 3.930 20 0 EHADRM C[C@@H]1CN(C(=O)c2coc(/C=C/C(=O)[O-])c2)c2ccccc2S1 ZINC001573747526 960506574 /nfs/dbraw/zinc/50/65/74/960506574.db2.gz DYHPEABOMLPJEE-XUIVZRPNSA-N -1 0 329.377 3.518 20 0 EHADRM CSc1cc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)ccn1 ZINC001574257510 960542609 /nfs/dbraw/zinc/54/26/09/960542609.db2.gz MRQQRWUMVOIHEY-UHFFFAOYSA-N -1 0 348.449 3.694 20 0 EHADRM CSc1ccc(C)c(NC(=O)NCc2ccccc2C(=O)[O-])c1 ZINC001574257918 960550676 /nfs/dbraw/zinc/55/06/76/960550676.db2.gz ZDPXAAJMFPZUMT-UHFFFAOYSA-N -1 0 330.409 3.737 20 0 EHADRM CC[C@@H](NC(=O)N1CCc2c(cccc2C(=O)[O-])C1)c1ccccc1 ZINC000392766085 972518878 /nfs/dbraw/zinc/51/88/78/972518878.db2.gz GFCUWRQXFGIIDD-GOSISDBHSA-N -1 0 338.407 3.604 20 0 EHADRM O=C([O-])c1ccc(CN2CCc3c(cccc3C(F)(F)F)C2)cc1 ZINC001204156434 960601886 /nfs/dbraw/zinc/60/18/86/960601886.db2.gz BVYIDFNITHAGTL-UHFFFAOYSA-N -1 0 335.325 3.962 20 0 EHADRM C/C(=C/C(=O)Nc1ccc(OCC(=O)[O-])cc1C)c1ccc(F)cc1 ZINC000236674434 960729191 /nfs/dbraw/zinc/72/91/91/960729191.db2.gz GBYRICWIUNPLNP-BENRWUELSA-N -1 0 343.354 3.640 20 0 EHADRM Cc1ccccc1[C@@H]1CN([C@@H](C(=O)[O-])c2ccccc2Cl)CCO1 ZINC001261516996 960740844 /nfs/dbraw/zinc/74/08/44/960740844.db2.gz GFDCGDCQJYRGEB-ZWKOTPCHSA-N -1 0 345.826 3.848 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(OCC(=O)[O-])cc2C)C1(C)C ZINC000236742458 960747093 /nfs/dbraw/zinc/74/70/93/960747093.db2.gz CGTDPSZJEAWBLJ-PBHICJAKSA-N -1 0 331.412 3.635 20 0 EHADRM Cc1c(C(=O)N(CCC(=O)[O-])CC(C)C)oc2c1c(C)ccc2C ZINC000236763461 960752957 /nfs/dbraw/zinc/75/29/57/960752957.db2.gz ONTWSSPYXZHNPO-UHFFFAOYSA-N -1 0 331.412 3.931 20 0 EHADRM CC(C)(CC(=O)N[C@H](CC(=O)[O-])c1cccs1)c1ccccc1 ZINC000236795653 960757869 /nfs/dbraw/zinc/75/78/69/960757869.db2.gz QDJAEOZSANZQHG-CQSZACIVSA-N -1 0 331.437 3.748 20 0 EHADRM CC(C)c1cccc(OCC(=O)Nc2cc(C(=O)[O-])ccc2F)c1 ZINC000236797322 960761002 /nfs/dbraw/zinc/76/10/02/960761002.db2.gz MXNVVIDOHFIJOC-UHFFFAOYSA-N -1 0 331.343 3.665 20 0 EHADRM CC[C@@H](CNC(=O)/C(C)=C/c1c(Cl)cccc1Cl)C(=O)[O-] ZINC001573794818 960764449 /nfs/dbraw/zinc/76/44/49/960764449.db2.gz GHRNDQMAPFEZBQ-PCYYEKQGSA-N -1 0 330.211 3.624 20 0 EHADRM CCC[C@](C)(NC(=O)c1ccc(COc2ccccc2)cc1)C(=O)[O-] ZINC000236840834 960772119 /nfs/dbraw/zinc/77/21/19/960772119.db2.gz KTEDCULPWLBKEZ-FQEVSTJZSA-N -1 0 341.407 3.639 20 0 EHADRM CCC(CC)(CNC(=O)[C@@H](C)Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000236855657 960776515 /nfs/dbraw/zinc/77/65/15/960776515.db2.gz LETQDNOOJUWTMM-LLVKDONJSA-N -1 0 343.876 3.828 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NC[C@@H](C)c2ccc(F)cc2F)c1 ZINC001574318216 960805902 /nfs/dbraw/zinc/80/59/02/960805902.db2.gz SJTQOYDEZVWRGC-LLVKDONJSA-N -1 0 333.334 3.505 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000237037480 960847225 /nfs/dbraw/zinc/84/72/25/960847225.db2.gz BFCMHEAROZXUTP-AUUYWEPGSA-N -1 0 325.408 3.512 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl ZINC000237056158 960857415 /nfs/dbraw/zinc/85/74/15/960857415.db2.gz YEHFYARINXPUBS-ZZXKWVIFSA-N -1 0 349.736 3.695 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)CSc1ccc(C(C)(C)C)cc1 ZINC000237100453 960869830 /nfs/dbraw/zinc/86/98/30/960869830.db2.gz SHIZTIDHHPIJGO-GOSISDBHSA-N -1 0 337.485 3.836 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1 ZINC000237113670 960873233 /nfs/dbraw/zinc/87/32/33/960873233.db2.gz AMUGVAQQHKOFQR-IFXJQAMLSA-N -1 0 335.444 3.645 20 0 EHADRM CC[C@H](OCCNC(=O)c1cc(C)cc(C(=O)[O-])c1)c1ccccc1 ZINC001573812951 960911844 /nfs/dbraw/zinc/91/18/44/960911844.db2.gz IOGAKDZLUDAPNS-SFHVURJKSA-N -1 0 341.407 3.591 20 0 EHADRM Cc1cc(NC(=O)CO[C@@H]2CCCc3ccccc32)ccc1C(=O)[O-] ZINC001574337881 960913096 /nfs/dbraw/zinc/91/30/96/960913096.db2.gz NXXJQFMFHNTVDV-GOSISDBHSA-N -1 0 339.391 3.726 20 0 EHADRM C[C@H](CC(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-])c1ccccc1C(F)(F)F ZINC000237382048 960922323 /nfs/dbraw/zinc/92/23/23/960922323.db2.gz GMGGUOXVMOBWGO-SCDSUCTJSA-N -1 0 343.345 3.569 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)ccc1C(C)C ZINC001574343232 960948492 /nfs/dbraw/zinc/94/84/92/960948492.db2.gz KHBVYTWKLZGVHZ-ARFHVFGLSA-N -1 0 347.455 3.597 20 0 EHADRM CC(C)c1oc(-c2ccccc2)nc1C(=O)NC(C)(C)CCC(=O)[O-] ZINC001319463723 960948967 /nfs/dbraw/zinc/94/89/67/960948967.db2.gz GPKRFRRKOIOINV-UHFFFAOYSA-N -1 0 344.411 3.838 20 0 EHADRM C[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1cc2ccccc2o1 ZINC000237580685 960967912 /nfs/dbraw/zinc/96/79/12/960967912.db2.gz HWTNLDDNPYZJAZ-CYBMUJFWSA-N -1 0 337.375 3.941 20 0 EHADRM CCC1(CC)CCCN(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CC1 ZINC001573822666 960975705 /nfs/dbraw/zinc/97/57/05/960975705.db2.gz PNRDACCBUNCVKK-OAHLLOKOSA-N -1 0 326.481 3.735 20 0 EHADRM Cc1ccc(C(=O)NC2(CC(=O)[O-])CCCCC2)cc1-n1cccc1 ZINC001574351361 960991124 /nfs/dbraw/zinc/99/11/24/960991124.db2.gz QTHTVXXWXONOLJ-UHFFFAOYSA-N -1 0 340.423 3.693 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(Cl)ccc2C)cc1 ZINC001321658014 961003606 /nfs/dbraw/zinc/00/36/06/961003606.db2.gz MDRQPEUHNCNWBB-INIZCTEOSA-N -1 0 331.799 3.903 20 0 EHADRM Cc1ccc(-c2nc(CC(=O)Nc3cccc(C(=O)[O-])c3)cs2)o1 ZINC000237776998 961022354 /nfs/dbraw/zinc/02/23/54/961022354.db2.gz DFSKTECWZYTABP-UHFFFAOYSA-N -1 0 342.376 3.591 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000237792427 961025974 /nfs/dbraw/zinc/02/59/74/961025974.db2.gz SWXNVENRGAIQHU-HUUCEWRRSA-N -1 0 345.420 3.652 20 0 EHADRM Cc1ccc(C=Cc2nc(SCCC3(C(=O)[O-])CCC3)n[nH]2)o1 ZINC001574361452 961028241 /nfs/dbraw/zinc/02/82/41/961028241.db2.gz KZROJKKXZYGCNG-AATRIKPKSA-N -1 0 333.413 3.614 20 0 EHADRM Cc1c(C(=O)NCc2ccc(C(=O)[O-])cc2)sc2cccc(F)c12 ZINC000237812969 961030177 /nfs/dbraw/zinc/03/01/77/961030177.db2.gz NCGWJUBPLKJCBR-UHFFFAOYSA-N -1 0 343.379 3.977 20 0 EHADRM Cc1ccc(-c2cc(C(=O)Nc3ccc(C(=O)[O-])cc3C)on2)cc1 ZINC001324184792 961030454 /nfs/dbraw/zinc/03/04/54/961030454.db2.gz YTUVYTLAKQCXJW-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM Cc1ccc(C)c(C(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)c1 ZINC000237853317 961034134 /nfs/dbraw/zinc/03/41/34/961034134.db2.gz AUNHCECFRQNXCO-UHFFFAOYSA-N -1 0 348.402 3.681 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H]1NC(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000237934835 961043884 /nfs/dbraw/zinc/04/38/84/961043884.db2.gz NYXPTFPSAZVYOJ-NVXWUHKLSA-N -1 0 345.345 3.615 20 0 EHADRM Cc1ccc(Cl)c(NC(=O)c2ccc(OCC(=O)[O-])cc2)c1C ZINC001574367710 961050305 /nfs/dbraw/zinc/05/03/05/961050305.db2.gz KMZAVVYGJUFYHQ-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)cc1 ZINC000237970417 961060795 /nfs/dbraw/zinc/06/07/95/961060795.db2.gz QKVDDHVFJXCZEQ-UHFFFAOYSA-N -1 0 329.783 3.843 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2Cl)cc1 ZINC000237977416 961062807 /nfs/dbraw/zinc/06/28/07/961062807.db2.gz FQLAUZKJONSLDF-MRXNPFEDSA-N -1 0 343.810 3.886 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2C[C@H]3CCCC[C@@]32c2ccccc2)o1 ZINC000238014180 961075750 /nfs/dbraw/zinc/07/57/50/961075750.db2.gz NLMKFQSJFGFGNR-AUUYWEPGSA-N -1 0 325.364 3.519 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)c2csc3ccccc23)c1 ZINC000238036023 961084811 /nfs/dbraw/zinc/08/48/11/961084811.db2.gz ZKBMADKHNFTGIU-UHFFFAOYSA-N -1 0 327.361 3.617 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2Nc2ccccc2)cn1 ZINC000238043627 961086514 /nfs/dbraw/zinc/08/65/14/961086514.db2.gz IFMGBPQGAMMFBF-UHFFFAOYSA-N -1 0 333.347 3.776 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2C[C@@H]3CCCC[C@@]32c2ccccc2)c1 ZINC000238062863 961092013 /nfs/dbraw/zinc/09/20/13/961092013.db2.gz MNVTZAXUJKOELS-GHTZIAJQSA-N -1 0 335.403 3.926 20 0 EHADRM CCCCOc1ccc(NC(=O)Nc2cccc(CC(=O)[O-])c2)cn1 ZINC001573848759 961114417 /nfs/dbraw/zinc/11/44/17/961114417.db2.gz JHYVXSJJODTGDV-UHFFFAOYSA-N -1 0 343.383 3.532 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2ccc(Oc3ccccc3)nc2)cc1 ZINC000238133447 961120084 /nfs/dbraw/zinc/12/00/84/961120084.db2.gz SXTRPIACZUEPDX-UHFFFAOYSA-N -1 0 348.358 3.502 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2CCCc3cc(C(=O)[O-])ccc32)nc1 ZINC001588739401 961151018 /nfs/dbraw/zinc/15/10/18/961151018.db2.gz FWWSYODOHYVMIE-UHFFFAOYSA-N -1 0 338.407 3.670 20 0 EHADRM O=C([O-])c1cccc(C(=O)N(Cc2ccco2)Cc2cccs2)c1 ZINC000238201725 961156701 /nfs/dbraw/zinc/15/67/01/961156701.db2.gz SGMKIVXDXFONCF-UHFFFAOYSA-N -1 0 341.388 3.882 20 0 EHADRM Cc1cccc([C@@H](NC(=O)[C@H]2CCc3c2cccc3Cl)C(=O)[O-])c1 ZINC001574390295 961169155 /nfs/dbraw/zinc/16/91/55/961169155.db2.gz UJCJIIGUQJOZOV-DOTOQJQBSA-N -1 0 343.810 3.620 20 0 EHADRM CCCOc1ccc(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)c(C)c1 ZINC001573862161 961176268 /nfs/dbraw/zinc/17/62/68/961176268.db2.gz MSBOPFSDBWFKED-TWGQIWQCSA-N -1 0 329.352 3.727 20 0 EHADRM Cc1cccc(C2=CCN(C(=O)[C@@]3(C(=O)[O-])CC=CCC3)CC2)c1C ZINC001574395221 961208218 /nfs/dbraw/zinc/20/82/18/961208218.db2.gz WVWIRQFPEKVIRD-OAQYLSRUSA-N -1 0 339.435 3.730 20 0 EHADRM CN(C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C(C)(C)CC(=O)[O-] ZINC001328575028 961213163 /nfs/dbraw/zinc/21/31/63/961213163.db2.gz SWGMHKIOPJAMFO-NEPJUHHUSA-N -1 0 344.238 3.809 20 0 EHADRM Cc1cccc(Oc2ccc(C(=O)Nc3ccc(C(=O)[O-])cn3)nc2)c1 ZINC001574397338 961216354 /nfs/dbraw/zinc/21/63/54/961216354.db2.gz PGQDHQNXMGSUMP-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM CCN(C(=O)Nc1cccc(SC(F)(F)F)c1)[C@@H](C)C(=O)[O-] ZINC001573873894 961226579 /nfs/dbraw/zinc/22/65/79/961226579.db2.gz GRDYVHUIASPQEA-QMMMGPOBSA-N -1 0 336.335 3.625 20 0 EHADRM Cc1ccccc1C(NC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1ccccc1C ZINC001574401450 961231265 /nfs/dbraw/zinc/23/12/65/961231265.db2.gz HROFYUVBYOKIRE-ZWKOTPCHSA-N -1 0 337.419 3.620 20 0 EHADRM C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCSC[C@H]1CC(=O)[O-] ZINC000251790564 961259589 /nfs/dbraw/zinc/25/95/89/961259589.db2.gz VURYNVJGOORZQG-GXSJLCMTSA-N -1 0 334.268 3.947 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)CSCc2cccs2)c1 ZINC001331897606 961406460 /nfs/dbraw/zinc/40/64/60/961406460.db2.gz XREOKCSLDRYSEC-OAHLLOKOSA-N -1 0 349.477 3.622 20 0 EHADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)CCCSc1ccc(Cl)cc1 ZINC000262047249 961416548 /nfs/dbraw/zinc/41/65/48/961416548.db2.gz CMCQNHRQKGGDNV-FZMZJTMJSA-N -1 0 341.860 3.534 20 0 EHADRM C[C@@H]1CCc2nc(CN[C@@H](CC3CCCCC3)C(=O)[O-])sc2C1 ZINC001331932494 961416989 /nfs/dbraw/zinc/41/69/89/961416989.db2.gz QKJCDBMIAAGSDY-DOMZBBRYSA-N -1 0 336.501 3.781 20 0 EHADRM Cc1oc(-c2ccccc2)nc1C(=O)Nc1sccc1C(=O)[O-] ZINC001574444122 961439936 /nfs/dbraw/zinc/43/99/36/961439936.db2.gz SKEUWKQCWFNJBV-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N(C)Cc1cccs1)C(=O)[O-] ZINC000262120156 961476575 /nfs/dbraw/zinc/47/65/75/961476575.db2.gz LBPUSRKHVLTDBS-NSHDSACASA-N -1 0 335.450 3.586 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N1CCC[C@H]1Cc1ccccc1 ZINC000262123606 961480496 /nfs/dbraw/zinc/48/04/96/961480496.db2.gz GSUXGJQFKHAOJT-SFHVURJKSA-N -1 0 337.419 3.551 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N[C@H](CCc1ccccc1)c1ccccc1 ZINC000262129529 961485379 /nfs/dbraw/zinc/48/53/79/961485379.db2.gz NWAKCRRCQJVBGZ-IPMKNSEASA-N -1 0 337.419 3.588 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@H](c2ccccc2)C(C)C)cc1C(=O)[O-] ZINC000262222230 961567253 /nfs/dbraw/zinc/56/72/53/961567253.db2.gz VNNKDKRGKXYWLR-KRWDZBQOSA-N -1 0 329.396 3.684 20 0 EHADRM CC[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C)C(=O)[O-] ZINC001573930794 961572188 /nfs/dbraw/zinc/57/21/88/961572188.db2.gz IOIPHGNJEQNZEO-OAHLLOKOSA-N -1 0 349.471 3.640 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(Oc3ccccc3)cc2)CC[C@H]1C(=O)[O-] ZINC000262238376 961581950 /nfs/dbraw/zinc/58/19/50/961581950.db2.gz OUZHSCWZEAULII-KBXCAEBGSA-N -1 0 339.391 3.662 20 0 EHADRM CCS[C@H]1CC[C@@H](N(C)C(=O)C2(C(=O)[O-])CCCCCC2)C1 ZINC001573932007 961583932 /nfs/dbraw/zinc/58/39/32/961583932.db2.gz KZRIMQZKQSDBCO-KGLIPLIRSA-N -1 0 327.490 3.544 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@@H]2SCCc3ccccc32)c1 ZINC000262357204 961665917 /nfs/dbraw/zinc/66/59/17/961665917.db2.gz GBRLYZILQQVGBW-GOSISDBHSA-N -1 0 341.432 3.673 20 0 EHADRM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001588833395 961732376 /nfs/dbraw/zinc/73/23/76/961732376.db2.gz KSBSOJUSHKGBSZ-DZZUKKPASA-N -1 0 345.370 3.514 20 0 EHADRM Cc1oc(CN(C)C(=O)c2ccc(C(C)(C)C)cc2)cc1C(=O)[O-] ZINC000262475387 961742518 /nfs/dbraw/zinc/74/25/18/961742518.db2.gz JWWPSJBFXYGNMY-UHFFFAOYSA-N -1 0 329.396 3.856 20 0 EHADRM Nc1c(Cl)c(F)cc(C(=O)Nc2cccc(C(=O)[O-])c2)c1Cl ZINC001574507256 961788660 /nfs/dbraw/zinc/78/86/60/961788660.db2.gz RYFRIEOTBYAERU-UHFFFAOYSA-N -1 0 343.141 3.665 20 0 EHADRM C[C@@H](CNC(=O)c1ccccc1S[C@@H](C)C(=O)[O-])c1ccccc1 ZINC000262656058 961796041 /nfs/dbraw/zinc/79/60/41/961796041.db2.gz SSPRXJIZNVKHKO-KBPBESRZSA-N -1 0 343.448 3.785 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)o1 ZINC001574514096 961834086 /nfs/dbraw/zinc/83/40/86/961834086.db2.gz TVFQDWXWNALPLT-CKGHVQIYSA-N -1 0 345.782 3.707 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1ccc(Cl)c2ccccc21 ZINC000262816775 961883669 /nfs/dbraw/zinc/88/36/69/961883669.db2.gz BIPRJUPQEBKCHO-NZVBXONLSA-N -1 0 331.799 3.781 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)c2ccccc2Cc2ccccc2)C1 ZINC000262831802 961897287 /nfs/dbraw/zinc/89/72/87/961897287.db2.gz BQAMYHWOMKWUPV-NRFANRHFSA-N -1 0 337.419 3.604 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001588847456 961900946 /nfs/dbraw/zinc/90/09/46/961900946.db2.gz RWNPOBYMPFBTRX-DGCLKSJQSA-N -1 0 345.361 3.672 20 0 EHADRM C[C@@H](CNC(=O)c1ccc(C(=O)[O-])o1)c1ccc(C(F)(F)F)cc1 ZINC000262880202 961953235 /nfs/dbraw/zinc/95/32/35/961953235.db2.gz GSRLHHKEUPUQMC-VIFPVBQESA-N -1 0 341.285 3.530 20 0 EHADRM CC(C)C[C@@H](CNC(=O)c1cc(-n2cccc2)ccc1Cl)C(=O)[O-] ZINC001588855099 961968214 /nfs/dbraw/zinc/96/82/14/961968214.db2.gz XENZBJWKSDXKTE-ZDUSSCGKSA-N -1 0 348.830 3.607 20 0 EHADRM O=C(N[C@H](c1ccc(F)cc1)C1CCCCC1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001574549709 961969657 /nfs/dbraw/zinc/96/96/57/961969657.db2.gz OOFCNQYEHFCERJ-XIRDDKMYSA-N -1 0 348.418 3.610 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@H]2C[C@H]2c2cccc3ccccc32)CCCC1 ZINC000262902792 961980361 /nfs/dbraw/zinc/98/03/61/961980361.db2.gz MKNUMVTUTRRKDE-ROUUACIJSA-N -1 0 337.419 3.847 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC001574555756 961981870 /nfs/dbraw/zinc/98/18/70/961981870.db2.gz HAMDKDLDLATIEV-HLPPOEQASA-N -1 0 335.831 3.593 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cnc(C(C)C)s2)cc1 ZINC001339061829 961996387 /nfs/dbraw/zinc/99/63/87/961996387.db2.gz QSGNXIYNVONTIX-CYBMUJFWSA-N -1 0 332.425 3.521 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)c(F)c2)c2ccccc21 ZINC001574557306 961996621 /nfs/dbraw/zinc/99/66/21/961996621.db2.gz IUEQAHWJUOZQCZ-IUODEOHRSA-N -1 0 333.746 3.522 20 0 EHADRM CC[C@@](CNC(=O)C[C@@H](C)c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000262915490 961997470 /nfs/dbraw/zinc/99/74/70/961997470.db2.gz FBWKRJMJZBIONA-IERDGZPVSA-N -1 0 339.435 3.729 20 0 EHADRM C[C@H](CC(=O)NCCC(C)(C)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000262938724 962023032 /nfs/dbraw/zinc/02/30/32/962023032.db2.gz HNLOLUNIVBJOIY-LLVKDONJSA-N -1 0 345.361 3.816 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)CCCC1 ZINC000262943624 962028904 /nfs/dbraw/zinc/02/89/04/962028904.db2.gz QCCIYNYMWIVSEA-ZWKOTPCHSA-N -1 0 337.419 3.847 20 0 EHADRM O=C([O-])CCCNC(=O)N1CCC(c2cccc3ccccc32)CC1 ZINC000262957479 962042546 /nfs/dbraw/zinc/04/25/46/962042546.db2.gz BPAPVXJXRDDSAC-UHFFFAOYSA-N -1 0 340.423 3.594 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)c1Cl ZINC001574567499 962044062 /nfs/dbraw/zinc/04/40/62/962044062.db2.gz HZRPLWBYFMRNHA-LPEHRKFASA-N -1 0 340.782 3.735 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C2CCC(c3ccccc3)CC2)C1 ZINC000262975327 962063067 /nfs/dbraw/zinc/06/30/67/962063067.db2.gz KHZGLRRZIMODOA-UHYCVJNDSA-N -1 0 329.440 3.674 20 0 EHADRM Cc1cccc(F)c1NC(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000262998078 962091817 /nfs/dbraw/zinc/09/18/17/962091817.db2.gz FPHACFFTDYADCN-OAHLLOKOSA-N -1 0 344.386 3.732 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000262999580 962093440 /nfs/dbraw/zinc/09/34/40/962093440.db2.gz QZMWVMVYRMPVAZ-XHDPSFHLSA-N -1 0 345.370 3.578 20 0 EHADRM O=C([O-])CC1(NC(=O)c2ccc(-c3ccc(F)cc3)o2)CCCC1 ZINC000263015722 962118990 /nfs/dbraw/zinc/11/89/90/962118990.db2.gz XQPUQMDEUUSBDI-UHFFFAOYSA-N -1 0 331.343 3.603 20 0 EHADRM CC(C)C[C@@H](NC(=O)/C(F)=C/c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001588880668 962142365 /nfs/dbraw/zinc/14/23/65/962142365.db2.gz ASOMJWAWXWQZBK-LLBKUYECSA-N -1 0 347.308 3.631 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(C(=O)[C@H]2CC23CCCC3)CC1 ZINC000263047716 962178099 /nfs/dbraw/zinc/17/80/99/962178099.db2.gz PSBBIAJTTWAXDQ-GOSISDBHSA-N -1 0 341.451 3.746 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000263050054 962179504 /nfs/dbraw/zinc/17/95/04/962179504.db2.gz DUCRSKFGDDXJNC-JZXOWHBKSA-N -1 0 341.382 3.532 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CCC[C@H]1c1cc(C)ccc1C ZINC000263073043 962216235 /nfs/dbraw/zinc/21/62/35/962216235.db2.gz YLKJMCDFYCEPOQ-INIZCTEOSA-N -1 0 341.407 3.809 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1ccc2ccc(Cl)cc2n1)C1CCCC1 ZINC001574616015 962218552 /nfs/dbraw/zinc/21/85/52/962218552.db2.gz CXJNZBLDTRMALS-HNNXBMFYSA-N -1 0 332.787 3.718 20 0 EHADRM CC(C)C[C@H](CNC(=O)OCc1ccc(Cl)cc1)CC(=O)[O-] ZINC001588894172 962221247 /nfs/dbraw/zinc/22/12/47/962221247.db2.gz KNEKBFFIXRWKIZ-ZDUSSCGKSA-N -1 0 327.808 3.703 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)NCc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000263099573 962249252 /nfs/dbraw/zinc/24/92/52/962249252.db2.gz CSOOFOZQZLBEJI-BLLLJJGKSA-N -1 0 331.437 3.892 20 0 EHADRM CCCC[C@@H](NC(=O)c1ccc(C2SCCS2)cc1)C(=O)[O-] ZINC000263103778 962255230 /nfs/dbraw/zinc/25/52/30/962255230.db2.gz ZRGVWOWXHKZSLX-CYBMUJFWSA-N -1 0 339.482 3.538 20 0 EHADRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)c1cc(F)c(Cl)cc1Cl ZINC000263324833 1125481767 /nfs/dbraw/zinc/48/17/67/1125481767.db2.gz KBQXWHBITACQKE-OQPBUACISA-N -1 0 348.201 3.896 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)cc1 ZINC000263173641 962328052 /nfs/dbraw/zinc/32/80/52/962328052.db2.gz GIDNIAATDKCLSR-CQSZACIVSA-N -1 0 339.391 3.785 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)Cc2ccc(C3CCC3)cc2)C1 ZINC001346310614 962342932 /nfs/dbraw/zinc/34/29/32/962342932.db2.gz FBGWMURWYYWYSY-MRXNPFEDSA-N -1 0 329.440 3.600 20 0 EHADRM CC(C)(C)c1ccc2cc(C(=O)N3CCC[C@@](C)(C(=O)[O-])C3)[nH]c2c1 ZINC000263195714 962351884 /nfs/dbraw/zinc/35/18/84/962351884.db2.gz JEDSHQFGSXGCDT-HXUWFJFHSA-N -1 0 342.439 3.792 20 0 EHADRM Cc1cccc(Oc2ccccc2C(=O)NCCCCC(=O)[O-])c1 ZINC000263198576 962354207 /nfs/dbraw/zinc/35/42/07/962354207.db2.gz URBWQWDGSBCFGP-UHFFFAOYSA-N -1 0 327.380 3.772 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000263203758 962359124 /nfs/dbraw/zinc/35/91/24/962359124.db2.gz KJNLMMFKMBTLGO-CHWSQXEVSA-N -1 0 329.371 3.831 20 0 EHADRM CC1(C)[C@H](c2ccccc2)CCN1C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000263238188 962384683 /nfs/dbraw/zinc/38/46/83/962384683.db2.gz RHUAMTRGGHJPEV-IKGGRYGDSA-N -1 0 329.440 3.672 20 0 EHADRM CC(C)(C)C1CCC(CC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)CC1 ZINC000263251182 962393382 /nfs/dbraw/zinc/39/33/82/962393382.db2.gz JMGQKCMCHNRWEZ-GPANFISMSA-N -1 0 335.488 3.942 20 0 EHADRM CCOc1ccc(CCC(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000263263722 962402094 /nfs/dbraw/zinc/40/20/94/962402094.db2.gz UKFJNCGHGUBWAE-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM CC[C@H](C)Oc1cc(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)ccn1 ZINC000263290048 962429832 /nfs/dbraw/zinc/42/98/32/962429832.db2.gz MAMZOVQYOCUKKJ-STQMWFEESA-N -1 0 342.395 3.699 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1ccc(COc2ccccc2)cc1 ZINC000263313919 962455702 /nfs/dbraw/zinc/45/57/02/962455702.db2.gz PWNAMFBKVRHGFS-UHFFFAOYSA-N -1 0 327.380 3.849 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000263337324 962485830 /nfs/dbraw/zinc/48/58/30/962485830.db2.gz RBNDQWIFPQWGQX-UONOGXRCSA-N -1 0 333.428 3.941 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)C1 ZINC000263341590 962492320 /nfs/dbraw/zinc/49/23/20/962492320.db2.gz SBOZBKKOAOOVIX-GOSISDBHSA-N -1 0 347.411 3.881 20 0 EHADRM CC(C)Oc1cccc(CC(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c1 ZINC000263356376 962511440 /nfs/dbraw/zinc/51/14/40/962511440.db2.gz XBYCZDUORFEXKC-CQSZACIVSA-N -1 0 341.407 3.843 20 0 EHADRM COc1ccc2sc(C(=O)N3CCC[C@@](C)(C(=O)[O-])C3)c(C)c2c1 ZINC000263365345 962523984 /nfs/dbraw/zinc/52/39/84/962523984.db2.gz ZQIWQYKACKXDCZ-GOSISDBHSA-N -1 0 347.436 3.545 20 0 EHADRM CC(C)(c1csc(NC(=O)CCCC(=O)[O-])n1)c1ccccc1 ZINC001350621176 962558399 /nfs/dbraw/zinc/55/83/99/962558399.db2.gz IRTLNFOYBKXUKY-UHFFFAOYSA-N -1 0 332.425 3.662 20 0 EHADRM CC(C)(C)Oc1c(F)cc(NC(=O)c2ccc(C(=O)[O-])o2)cc1F ZINC001350800998 962598290 /nfs/dbraw/zinc/59/82/90/962598290.db2.gz GVVPMNUTQDUBBJ-UHFFFAOYSA-N -1 0 339.294 3.686 20 0 EHADRM C[C@H](NC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(F)c2ccccc21 ZINC000263430809 962606724 /nfs/dbraw/zinc/60/67/24/962606724.db2.gz YVNVHAVHQMTNLL-LBPRGKRZSA-N -1 0 344.386 3.546 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCC[C@@]1(C)C(=O)[O-] ZINC000263432747 962609046 /nfs/dbraw/zinc/60/90/46/962609046.db2.gz KZVZZWNPHCLLJK-HWPZZCPQSA-N -1 0 344.238 3.638 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Cc1c[nH]c2cccc(Cl)c12 ZINC001574691501 962632715 /nfs/dbraw/zinc/63/27/15/962632715.db2.gz BOIUEYKXJDIJAV-ZDUSSCGKSA-N -1 0 348.830 3.610 20 0 EHADRM CCc1ccc([C@@H]2CCCCCN2C(=O)c2cc(C(=O)[O-])ccn2)o1 ZINC000263448977 962633818 /nfs/dbraw/zinc/63/38/18/962633818.db2.gz ZPYWVLCAVDQVQT-INIZCTEOSA-N -1 0 342.395 3.693 20 0 EHADRM CCOc1ccc(Br)cc1NC1CCC(C(=O)[O-])CC1 ZINC000263454549 962642250 /nfs/dbraw/zinc/64/22/50/962642250.db2.gz GZCKOAIFRMRFGN-UHFFFAOYSA-N -1 0 342.233 3.903 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CCC[C@H]1c1ccccc1C ZINC000263455848 962643265 /nfs/dbraw/zinc/64/32/65/962643265.db2.gz UOCOAUXSOHFHCJ-HNNXBMFYSA-N -1 0 327.380 3.501 20 0 EHADRM CC(C)c1cc(C(=O)N2CCC[C@@]2(C)C(=O)[O-])c(O)c(C(C)C)c1 ZINC001588964221 962645002 /nfs/dbraw/zinc/64/50/02/962645002.db2.gz YQGHUKHLGZXHEB-IBGZPJMESA-N -1 0 333.428 3.718 20 0 EHADRM CC(C)c1cc(C(=O)NC[C@H](C(=O)[O-])C(C)C)c(O)c(C(C)C)c1 ZINC001588964150 962645329 /nfs/dbraw/zinc/64/53/29/962645329.db2.gz SXVJLUJIRAMWQW-INIZCTEOSA-N -1 0 335.444 3.726 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)Nc1cncc(C(=O)[O-])c1)CC2 ZINC001588968096 962655153 /nfs/dbraw/zinc/65/51/53/962655153.db2.gz BKUCGXSXDVALMI-KRWDZBQOSA-N -1 0 339.395 3.712 20 0 EHADRM CC(C)(C)Sc1ccc(NC(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000263476529 962662006 /nfs/dbraw/zinc/66/20/06/962662006.db2.gz JLQGGCBCTCNYJP-QGZVFWFLSA-N -1 0 336.457 3.906 20 0 EHADRM Cc1cccc(Oc2ccc(NC(=O)N3CC[C@H](C(=O)[O-])C3)cc2)c1 ZINC000263487279 962673330 /nfs/dbraw/zinc/67/33/30/962673330.db2.gz NEPAPUIKPYBRAE-AWEZNQCLSA-N -1 0 340.379 3.726 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000263521446 962703376 /nfs/dbraw/zinc/70/33/76/962703376.db2.gz HJXNOMYHJDREPQ-ZWJWXYIHSA-N -1 0 341.451 3.672 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)NC[C@H](Cc1cccc(C)c1)C(=O)[O-] ZINC000263527954 962708165 /nfs/dbraw/zinc/70/81/65/962708165.db2.gz KXWRHPKJWJTOKX-INIZCTEOSA-N -1 0 343.423 3.693 20 0 EHADRM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000263566220 962733288 /nfs/dbraw/zinc/73/32/88/962733288.db2.gz GATOXGYYMHLXBG-JKSUJKDBSA-N -1 0 327.380 3.695 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)CCCCc2cccc(O)c2)c1 ZINC001520167498 962823009 /nfs/dbraw/zinc/82/30/09/962823009.db2.gz MQOWBRBBJRETBA-UHFFFAOYSA-N -1 0 341.407 3.761 20 0 EHADRM C[C@H](c1ccc(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])cc1)C(F)(F)F ZINC001526758978 962905589 /nfs/dbraw/zinc/90/55/89/962905589.db2.gz ZBTBIFYEQSFHDO-DDTOSNHZSA-N -1 0 343.345 3.726 20 0 EHADRM Cc1cc2occ(C(=O)N3CC[C@@]4(C(=O)[O-])CCC[C@@H]34)c2cc1C ZINC001549913835 962986965 /nfs/dbraw/zinc/98/69/65/962986965.db2.gz ZDYYXCJLYNFISJ-APWZRJJASA-N -1 0 327.380 3.519 20 0 EHADRM CC(C)(C)OC(=O)NCc1ccc(NC2CCC(C(=O)[O-])CC2)cc1 ZINC000310919503 963446312 /nfs/dbraw/zinc/44/63/12/963446312.db2.gz ZXKOCFWESVKPIK-UHFFFAOYSA-N -1 0 348.443 3.767 20 0 EHADRM CCC(C)(C)NC(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000312474289 963566034 /nfs/dbraw/zinc/56/60/34/963566034.db2.gz SBOUMYIDXFYFBE-UHFFFAOYSA-N -1 0 343.221 3.766 20 0 EHADRM O=C([O-])Cc1ccc(CNCc2cc(Cl)sc2Cl)cc1 ZINC000312723507 963586978 /nfs/dbraw/zinc/58/69/78/963586978.db2.gz OFYIRSGOENETKX-UHFFFAOYSA-N -1 0 330.236 3.972 20 0 EHADRM O=C([O-])c1cc(NC(=O)CSc2ccccc2Cl)ccc1F ZINC000314803306 963812878 /nfs/dbraw/zinc/81/28/78/963812878.db2.gz WUCSEYMHGLGSJD-UHFFFAOYSA-N -1 0 339.775 3.908 20 0 EHADRM C[C@@H](NC(=O)NCCCCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000314944121 963832868 /nfs/dbraw/zinc/83/28/68/963832868.db2.gz KNABMEIYFKFPQP-GFCCVEGCSA-N -1 0 326.824 3.735 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N(Cc1cccs1)Cc1cccs1 ZINC000315079576 963854018 /nfs/dbraw/zinc/85/40/18/963854018.db2.gz TVDYWLOKWOVPIR-LBPRGKRZSA-N -1 0 337.466 3.839 20 0 EHADRM Cc1cc(NC(=O)c2ccccc2OC(F)F)sc1C(=O)[O-] ZINC000315245857 963868800 /nfs/dbraw/zinc/86/88/00/963868800.db2.gz REHWFUJYPZBBIZ-UHFFFAOYSA-N -1 0 327.308 3.608 20 0 EHADRM O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)o1 ZINC000316295787 964000412 /nfs/dbraw/zinc/00/04/12/964000412.db2.gz ZAKCFAOQVGHLFE-UHFFFAOYSA-N -1 0 333.649 3.902 20 0 EHADRM Cc1ccc(NC(=O)NC(C)(C)CCC(=O)[O-])c(Br)c1 ZINC000050196577 967534531 /nfs/dbraw/zinc/53/45/31/967534531.db2.gz LPOABUZFGSLEAT-UHFFFAOYSA-N -1 0 343.221 3.522 20 0 EHADRM CC[C@H](NCc1cc(=O)[nH]c(-c2ccccc2)n1)c1nc(C)cs1 ZINC000459409674 1032074171 /nfs/dbraw/zinc/07/41/71/1032074171.db2.gz ROWVIKAHLHCBIE-HNNXBMFYSA-N -1 0 340.452 3.855 20 0 EHADRM CC(C)OCc1c2ccccc2oc1C(=O)NCCCCCC(=O)[O-] ZINC000236816638 967780927 /nfs/dbraw/zinc/78/09/27/967780927.db2.gz SDEVAVBKPZVPSX-UHFFFAOYSA-N -1 0 347.411 3.733 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Cc1cccc2ccccc21 ZINC000237986504 967786847 /nfs/dbraw/zinc/78/68/47/967786847.db2.gz UUYRYWKBNDOLBW-QGZVFWFLSA-N -1 0 325.408 3.628 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2c[nH]cc2-c2ccc(F)cc2)C1 ZINC000263117985 967849488 /nfs/dbraw/zinc/84/94/88/967849488.db2.gz KHEFWQPHSDKZKX-CYBMUJFWSA-N -1 0 344.386 3.538 20 0 EHADRM CN(CCC(=O)[O-])C(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000263147223 967853983 /nfs/dbraw/zinc/85/39/83/967853983.db2.gz ASMZBCOHWIOHJO-INIZCTEOSA-N -1 0 338.835 3.687 20 0 EHADRM CC[C@H](NC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1)c1cccc(Cl)c1 ZINC000263377321 967882886 /nfs/dbraw/zinc/88/28/86/967882886.db2.gz WSUUOUGZKVSFKF-LNSITVRQSA-N -1 0 338.835 3.543 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccccc2SC(F)F)CC[C@@H]1C(=O)[O-] ZINC000324267752 968030036 /nfs/dbraw/zinc/03/00/36/968030036.db2.gz KQHOYBLYGKEBNC-UWVGGRQHSA-N -1 0 344.383 3.576 20 0 EHADRM CC(C)c1ccccc1NC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000325131004 968036646 /nfs/dbraw/zinc/03/66/46/968036646.db2.gz KTYBRKXVBFSKCY-KRWDZBQOSA-N -1 0 326.396 3.627 20 0 EHADRM Cc1ccc(SCCC(=O)Nc2cc(C(=O)[O-])ccn2)cc1C ZINC000391291311 968186970 /nfs/dbraw/zinc/18/69/70/968186970.db2.gz JZHYSIBUAQXPNI-UHFFFAOYSA-N -1 0 330.409 3.518 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2sc3ccccc3c2Cl)C1 ZINC000398837589 968280417 /nfs/dbraw/zinc/28/04/17/968280417.db2.gz NSDGYNGGTNCJGU-UWVGGRQHSA-N -1 0 337.828 3.738 20 0 EHADRM CC[C@H](NC(=O)NCCC(C)(C)C(=O)[O-])c1cccc(Cl)c1 ZINC000424393464 968360854 /nfs/dbraw/zinc/36/08/54/968360854.db2.gz LYRWLUNJTQVDLP-ZDUSSCGKSA-N -1 0 326.824 3.591 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccc(-c2ccccn2)cc1)C(=O)[O-] ZINC000424393584 968361108 /nfs/dbraw/zinc/36/11/08/968361108.db2.gz WMLRQESIFWZVEZ-OAHLLOKOSA-N -1 0 341.411 3.617 20 0 EHADRM CC[C@H](NC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)c1cc(C)ccc1C ZINC000529227774 968396284 /nfs/dbraw/zinc/39/62/84/968396284.db2.gz WUPHTDLVPXNJSO-UAGQMJEPSA-N -1 0 332.444 3.507 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@H]2C[C@]23CCCc2ccccc23)CCCCC1 ZINC000540705423 968403060 /nfs/dbraw/zinc/40/30/60/968403060.db2.gz RXAMXABSVOHCFA-UTKZUKDTSA-N -1 0 341.451 3.574 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccccc2OC2CCCCC2)C[C@H]1C(=O)[O-] ZINC000567879372 968435638 /nfs/dbraw/zinc/43/56/38/968435638.db2.gz SCULIXKSNDUWEP-RHSMWYFYSA-N -1 0 345.439 3.581 20 0 EHADRM CC[C@@H](C)Oc1ccc(NC(=O)N2CCC(C)(C(=O)[O-])CC2)cc1 ZINC000647694673 968577097 /nfs/dbraw/zinc/57/70/97/968577097.db2.gz KLBYXIOMNUIYAE-CYBMUJFWSA-N -1 0 334.416 3.583 20 0 EHADRM C[C@H](NC(=O)CCc1ccc(Cl)s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655580997 968686203 /nfs/dbraw/zinc/68/62/03/968686203.db2.gz HVBZOOFTCCSQLU-ZMLRMANQSA-N -1 0 343.876 3.586 20 0 EHADRM C[C@@H](CC(=O)N(CC(=O)[O-])C1CCC1)c1ccc(C(F)(F)F)cc1 ZINC000655591126 968689521 /nfs/dbraw/zinc/68/95/21/968689521.db2.gz DZTRSTYZACDLGM-NSHDSACASA-N -1 0 343.345 3.665 20 0 EHADRM CC(C)[C@@H](CNC(=O)N[C@@H](C)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000655870197 968699039 /nfs/dbraw/zinc/69/90/39/968699039.db2.gz PGDKVUWXIYQXNB-GXSJLCMTSA-N -1 0 347.242 3.710 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)[C@@H]2CCCC[C@H]2c2cccc(Cl)c2)C1 ZINC000901437786 969428309 /nfs/dbraw/zinc/42/83/09/969428309.db2.gz DHLWEXZSRAJISY-CWRNSKLLSA-N -1 0 335.831 3.547 20 0 EHADRM Cc1cc(OCc2ccccc2)ccc1NC(=O)[C@]1(C(=O)[O-])C[C@H]1C ZINC000901781471 969474292 /nfs/dbraw/zinc/47/42/92/969474292.db2.gz MPGFAFAMHCTSBK-VLIAUNLRSA-N -1 0 339.391 3.623 20 0 EHADRM CC(C)(C)OCc1ccccc1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000909475429 969624069 /nfs/dbraw/zinc/62/40/69/969624069.db2.gz HBPWFCWJADDLAT-HNNXBMFYSA-N -1 0 347.455 3.719 20 0 EHADRM O=C([O-])C1(C(=O)Nc2n[nH]c3c2cccc3Cl)CCCCCC1 ZINC001574640805 969869205 /nfs/dbraw/zinc/86/92/05/969869205.db2.gz KEIFJGXDKBAQMZ-UHFFFAOYSA-N -1 0 335.791 3.580 20 0 EHADRM N#C/C(=C/c1csc(-c2cccc(Br)c2)n1)C(=O)[O-] ZINC000211384014 970310675 /nfs/dbraw/zinc/31/06/75/970310675.db2.gz DFRAKXIQODWBHI-UITAMQMPSA-N -1 0 335.182 3.564 20 0 EHADRM C[C@H](NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)c1ccsc1 ZINC000317411710 970356721 /nfs/dbraw/zinc/35/67/21/970356721.db2.gz IABYINZMYQAMDH-ZETCQYMHSA-N -1 0 326.324 3.607 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)Nc2c(F)cccc2Cl)CC1 ZINC000317802865 970388584 /nfs/dbraw/zinc/38/85/84/970388584.db2.gz WTHGTFHLTJRPNY-UHFFFAOYSA-N -1 0 328.771 3.588 20 0 EHADRM CSC[C@@H]1CCCN(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])C1 ZINC000319512723 970542833 /nfs/dbraw/zinc/54/28/33/970542833.db2.gz ZQVWJVVLGJVHHR-SNVBAGLBSA-N -1 0 342.848 3.645 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)CSCc1cccs1)c1ccccc1 ZINC000319677305 970559995 /nfs/dbraw/zinc/55/99/95/970559995.db2.gz ACIBBAOMJYEXMW-HNNXBMFYSA-N -1 0 349.477 3.704 20 0 EHADRM O=C([O-])c1ccccc1OCCOc1ccccc1C(F)(F)F ZINC000319887448 970585318 /nfs/dbraw/zinc/58/53/18/970585318.db2.gz VMJISPMNGNTBQP-UHFFFAOYSA-N -1 0 326.270 3.861 20 0 EHADRM Cc1csc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c1Cl ZINC000319967133 970595505 /nfs/dbraw/zinc/59/55/05/970595505.db2.gz YKKBJDCPUFEVPO-SNVBAGLBSA-N -1 0 335.812 3.929 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@H]1CCCc2sccc21 ZINC000320283922 970642586 /nfs/dbraw/zinc/64/25/86/970642586.db2.gz OOVZFKFVMUGZHD-ZDUSSCGKSA-N -1 0 330.409 3.954 20 0 EHADRM CCCC[C@@H](CCC)NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000320438973 970664946 /nfs/dbraw/zinc/66/49/46/970664946.db2.gz ZRIONZGFIKBDIO-GFCCVEGCSA-N -1 0 347.864 3.675 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)c1cc(F)ccc1Cl ZINC000320602275 970683627 /nfs/dbraw/zinc/68/36/27/970683627.db2.gz BXWXUNHOSLNZEX-CQSZACIVSA-N -1 0 327.783 3.633 20 0 EHADRM CC(C)CCC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000320766562 970711998 /nfs/dbraw/zinc/71/19/98/970711998.db2.gz XVAOFPDQZWEDHT-LLVKDONJSA-N -1 0 347.864 3.531 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CCc2sccc2[C@@H]1C ZINC000321197078 970751700 /nfs/dbraw/zinc/75/17/00/970751700.db2.gz VRMDHHDTGNWWMG-NSHDSACASA-N -1 0 330.409 3.906 20 0 EHADRM CSc1cc(C)ccc1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001604962897 972547245 /nfs/dbraw/zinc/54/72/45/972547245.db2.gz IUWGYOODBYXLRN-UHFFFAOYSA-N -1 0 330.409 3.737 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)Cc1ccc2ccccc2c1 ZINC000393024128 972556438 /nfs/dbraw/zinc/55/64/38/972556438.db2.gz RYECJNGXKJQUBX-IBGZPJMESA-N -1 0 339.435 3.922 20 0 EHADRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Nc1ccc(C2CC2)cc1F ZINC001605851629 972597473 /nfs/dbraw/zinc/59/74/73/972597473.db2.gz MTSMXANDKFAHJJ-KRWDZBQOSA-N -1 0 342.370 3.521 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1cc2ccccc2cc1OC(F)F ZINC001605008003 972612434 /nfs/dbraw/zinc/61/24/34/972612434.db2.gz JGWOOEOAVMVQSS-QMTHXVAHSA-N -1 0 349.333 3.519 20 0 EHADRM CC1(C)[C@H](c2ccccc2)CCN1C(=O)Nc1cccnc1C(=O)[O-] ZINC001603314906 972621957 /nfs/dbraw/zinc/62/19/57/972621957.db2.gz XZLFSVVGYQQIEM-AWEZNQCLSA-N -1 0 339.395 3.580 20 0 EHADRM O=C(Nc1ccccc1Oc1cccc(F)c1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605866653 972622921 /nfs/dbraw/zinc/62/29/21/972622921.db2.gz HUNXNONLDYUKDM-BJHJDKERSA-N -1 0 344.342 3.603 20 0 EHADRM C[C@]1(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)C[C@@H]1c1ccccc1 ZINC001605062751 972674272 /nfs/dbraw/zinc/67/42/72/972674272.db2.gz FWTJWAZGWYQATB-NYUBLWNDSA-N -1 0 335.403 3.610 20 0 EHADRM CC1(C)CCc2c(OC(=O)[C@@H](C(=O)[O-])C3CCCC3)cccc2O1 ZINC001603329002 972685729 /nfs/dbraw/zinc/68/57/29/972685729.db2.gz STQDVWVDTAWMMM-MRXNPFEDSA-N -1 0 332.396 3.587 20 0 EHADRM Cc1c(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cnc2ccccc12 ZINC001605076522 972705144 /nfs/dbraw/zinc/70/51/44/972705144.db2.gz DMSVPAZVQKINCG-APWZRJJASA-N -1 0 346.386 3.586 20 0 EHADRM C[C@@H](NCc1nc(C(=O)[O-])cs1)c1ccc(Cl)cc1Cl ZINC000394599795 972721694 /nfs/dbraw/zinc/72/16/94/972721694.db2.gz HXUAGUIQKBCUKK-SSDOTTSWSA-N -1 0 331.224 3.999 20 0 EHADRM O=C([O-])C1(C(=O)N2CC[C@@H](c3cccc(F)c3)C2)CCCCCC1 ZINC001605908837 972753742 /nfs/dbraw/zinc/75/37/42/972753742.db2.gz BQMYMBFZXMRKFY-OAHLLOKOSA-N -1 0 333.403 3.567 20 0 EHADRM CC1(c2ccccc2C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)CC1 ZINC001603348416 972767698 /nfs/dbraw/zinc/76/76/98/972767698.db2.gz WVMYUGYGEWBXKF-ZWKOTPCHSA-N -1 0 349.430 3.679 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@H](c2ncccc2C)C(C)C)c1 ZINC001605132293 972795897 /nfs/dbraw/zinc/79/58/97/972795897.db2.gz BWPAQWFJDUGIJQ-INIZCTEOSA-N -1 0 326.396 3.524 20 0 EHADRM Cc1cc(C)cc(C[C@@H](C)NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC001605151650 972836667 /nfs/dbraw/zinc/83/66/67/972836667.db2.gz SEULYHSDZSBVJZ-IAGOWNOFSA-N -1 0 346.471 3.521 20 0 EHADRM Cc1cc(C)cc(C[C@H](C)NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC001605151651 972837561 /nfs/dbraw/zinc/83/75/61/972837561.db2.gz SEULYHSDZSBVJZ-IRXDYDNUSA-N -1 0 346.471 3.521 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCC2CCC(C(C)(C)C)CC2)C1 ZINC001603363111 972838756 /nfs/dbraw/zinc/83/87/56/972838756.db2.gz QTPNMYNYMXNXET-JWMHWRSXSA-N -1 0 338.492 3.591 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000396362113 972866931 /nfs/dbraw/zinc/86/69/31/972866931.db2.gz JEHYMULNOGMTGR-VXGBXAGGSA-N -1 0 330.359 3.897 20 0 EHADRM Cc1cc(C)cc(OCCC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c1 ZINC000396628325 972924561 /nfs/dbraw/zinc/92/45/61/972924561.db2.gz MCKDEEJFXYBHKH-HNNXBMFYSA-N -1 0 341.407 3.899 20 0 EHADRM C[C@@H](NCc1csc(Br)c1)c1ncc(C(=O)[O-])s1 ZINC000397386957 972996022 /nfs/dbraw/zinc/99/60/22/972996022.db2.gz IJNAAQVLQJFVJT-ZCFIWIBFSA-N -1 0 347.259 3.516 20 0 EHADRM Cc1ccc(C(F)(F)F)c(NC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC001605257129 973034645 /nfs/dbraw/zinc/03/46/45/973034645.db2.gz YVWGQIIDGQQLKN-MNOVXSKESA-N -1 0 344.333 3.588 20 0 EHADRM Cc1ccc(CC(=O)Nc2ccccc2C(=O)[O-])c(Br)c1 ZINC001605265182 973048176 /nfs/dbraw/zinc/04/81/76/973048176.db2.gz WGDXKVHWKXLFOU-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM Cc1ccc(NC(=O)N2CC[C@@H](C(=O)[O-])C2)cc1-c1ccsc1 ZINC001605289202 973100900 /nfs/dbraw/zinc/10/09/00/973100900.db2.gz VDLGOJUYWUQKCF-GFCCVEGCSA-N -1 0 330.409 3.662 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2cccc(C(F)F)c2F)C(=O)[O-])c1 ZINC001605327572 973168697 /nfs/dbraw/zinc/16/86/97/973168697.db2.gz DSUMCLOQDUWGIF-AWEZNQCLSA-N -1 0 337.297 3.627 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)Nc2ccnc(-c3ccccc3)c2)co1 ZINC001606063582 973192453 /nfs/dbraw/zinc/19/24/53/973192453.db2.gz BXCKIJHEZJVRSX-VOTSOKGWSA-N -1 0 334.331 3.692 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)Oc2ccc(Cl)c(F)c2F)co1 ZINC001606063933 973195500 /nfs/dbraw/zinc/19/55/00/973195500.db2.gz FYHUHCCHXAVNCG-RJRFIUFISA-N -1 0 328.654 3.528 20 0 EHADRM Cc1ccccc1C(C)(C)CNC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC001605350990 973254532 /nfs/dbraw/zinc/25/45/32/973254532.db2.gz JMMCZLXNOVVZIU-MRXNPFEDSA-N -1 0 346.471 3.702 20 0 EHADRM C[C@@H]1Cc2cc(NC(=O)Nc3cccc(CCC(=O)[O-])c3)ccc2O1 ZINC001603476894 973372684 /nfs/dbraw/zinc/37/26/84/973372684.db2.gz ZUSYMMCJXMNDGA-GFCCVEGCSA-N -1 0 340.379 3.671 20 0 EHADRM C[C@H]1c2ccccc2OCCN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001603482564 973394616 /nfs/dbraw/zinc/39/46/16/973394616.db2.gz NHLHVELIQYNXBG-NSHDSACASA-N -1 0 344.342 3.511 20 0 EHADRM C/C=C/COc1cccc(CC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC001603483276 973398749 /nfs/dbraw/zinc/39/87/49/973398749.db2.gz ZGWCIIPNMJHKOA-RTRPANQVSA-N -1 0 347.455 3.580 20 0 EHADRM O=C([O-])CCCc1nc(-c2ccccc2OCc2ccccc2)no1 ZINC001606183180 973433175 /nfs/dbraw/zinc/43/31/75/973433175.db2.gz ZFVXQSODOWACEF-UHFFFAOYSA-N -1 0 338.363 3.723 20 0 EHADRM CC[C@@H](CNC(=O)N1CCC[C@H](CCCc2ccccc2)C1)C(=O)[O-] ZINC001603557226 973644420 /nfs/dbraw/zinc/64/44/20/973644420.db2.gz ROULRRJGWRFEOZ-ROUUACIJSA-N -1 0 346.471 3.542 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)CCc2ccc(Cl)c(F)c2)c1 ZINC001606307854 973718897 /nfs/dbraw/zinc/71/88/97/973718897.db2.gz MVFDCIMFCASIJL-UHFFFAOYSA-N -1 0 335.762 3.678 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CCC3(CC3(F)F)CC2)cc1 ZINC000405118773 973766386 /nfs/dbraw/zinc/76/63/86/973766386.db2.gz UVCJUQWDFVXLEG-LLVKDONJSA-N -1 0 338.354 3.528 20 0 EHADRM O=C([O-])[C@H](CNC(=O)Nc1ccc2c(c1)CCCCC2)CC1CC1 ZINC000405285318 973814920 /nfs/dbraw/zinc/81/49/20/973814920.db2.gz VOQYOIKCUQNDIC-INIZCTEOSA-N -1 0 330.428 3.578 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1nc2c(s1)CCC[C@H]2CC)C(=O)[O-] ZINC001603619785 973917268 /nfs/dbraw/zinc/91/72/68/973917268.db2.gz KNSUPTDICXSKJV-UMNHJUIQSA-N -1 0 339.461 3.594 20 0 EHADRM CC[C@@H]1CCCC[C@H]1CNC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001603619807 973917332 /nfs/dbraw/zinc/91/73/32/973917332.db2.gz LLJNQFNUSCDSHI-GUXCAODWSA-N -1 0 346.471 3.545 20 0 EHADRM COc1cc(NC(=O)[C@H](C(=O)[O-])C2CCCC2)cc(OC)c1C(C)C ZINC001604722080 973928051 /nfs/dbraw/zinc/92/80/51/973928051.db2.gz PINZOSJZFMTNJJ-QGZVFWFLSA-N -1 0 349.427 3.657 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cc(Cl)c(O)c3ccccc23)nc1 ZINC001606478433 973955671 /nfs/dbraw/zinc/95/56/71/973955671.db2.gz AHNKUEPTLYOWTA-UHFFFAOYSA-N -1 0 342.738 3.544 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1ccnc(-c2ccccc2)c1 ZINC000417763431 973968735 /nfs/dbraw/zinc/96/87/35/973968735.db2.gz KLOIRRLZTAASGZ-UHFFFAOYSA-N -1 0 327.384 3.515 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1nc(Cc2ccccc2)cs1 ZINC000417798723 973969358 /nfs/dbraw/zinc/96/93/58/973969358.db2.gz UMIJCRLLXYABMH-UHFFFAOYSA-N -1 0 347.440 3.500 20 0 EHADRM CCC[C@H]1CCc2nc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)sc2C1 ZINC001603636069 973972069 /nfs/dbraw/zinc/97/20/69/973972069.db2.gz NPIYHIAPZRKHBR-GXFFZTMASA-N -1 0 338.473 3.734 20 0 EHADRM CCCCOC(=O)c1ccc(NC(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC001603648523 974010260 /nfs/dbraw/zinc/01/02/60/974010260.db2.gz NDWCJOAQHLUTNT-UHFFFAOYSA-N -1 0 341.363 3.594 20 0 EHADRM COc1ccc(CCCCCC(=O)Nc2ncccc2C(=O)[O-])cc1 ZINC001604781901 974013457 /nfs/dbraw/zinc/01/34/57/974013457.db2.gz MNOWZLQMCRXDAN-UHFFFAOYSA-N -1 0 342.395 3.530 20 0 EHADRM O=C([O-])c1cccc(CNc2nn(CC(F)F)c3ccccc23)c1 ZINC001606518243 974015406 /nfs/dbraw/zinc/01/54/06/974015406.db2.gz OWHVPNNODSPBAC-UHFFFAOYSA-N -1 0 331.322 3.612 20 0 EHADRM Cc1ccc(C[NH2+]Cc2ccccc2CC(=O)[O-])c(Br)c1 ZINC000426679960 974043796 /nfs/dbraw/zinc/04/37/96/974043796.db2.gz KFYCDASIVSOGIR-UHFFFAOYSA-N -1 0 348.240 3.674 20 0 EHADRM Cc1ccc(CCCC(=O)N(CCc2ccccc2)CC(=O)[O-])s1 ZINC000427767577 974058814 /nfs/dbraw/zinc/05/88/14/974058814.db2.gz YDBYXPSBKCZPHR-UHFFFAOYSA-N -1 0 345.464 3.535 20 0 EHADRM CCN(CC(=O)[O-])C(=O)c1ccc(C)cc1Sc1ccccc1 ZINC000431438702 974063742 /nfs/dbraw/zinc/06/37/42/974063742.db2.gz NKPRMBSRXSPDEW-UHFFFAOYSA-N -1 0 329.421 3.693 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)C[C@H](C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000431461320 974065676 /nfs/dbraw/zinc/06/56/76/974065676.db2.gz ZYSCFWUTUSMRTP-WQGACYEGSA-N -1 0 325.836 3.524 20 0 EHADRM CCC[C@](C)(NC(=O)c1cc(C2CC2)nc2ccc(C)cc21)C(=O)[O-] ZINC000431451037 974065718 /nfs/dbraw/zinc/06/57/18/974065718.db2.gz HKZAELKJBYKFPT-FQEVSTJZSA-N -1 0 340.423 3.794 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cc(C2CC2)nc2ccccc21 ZINC000431790163 974075178 /nfs/dbraw/zinc/07/51/78/974075178.db2.gz WHVAWKVTFQJVJC-UHFFFAOYSA-N -1 0 340.423 3.876 20 0 EHADRM CCCSc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccccc2)n1 ZINC001603692038 974084289 /nfs/dbraw/zinc/08/42/89/974084289.db2.gz FIUVZDOBUPNOKQ-HNNXBMFYSA-N -1 0 345.424 3.531 20 0 EHADRM Cc1c(NC(=O)Cc2ccccc2C(=O)[O-])cccc1C(F)(F)F ZINC000432099875 974086252 /nfs/dbraw/zinc/08/62/52/974086252.db2.gz TXSNNSVQJHUDGL-UHFFFAOYSA-N -1 0 337.297 3.893 20 0 EHADRM C[C@@H]1CCN(C(=O)Cc2ccccc2C(=O)[O-])CC12CCCCC2 ZINC000432112152 974087635 /nfs/dbraw/zinc/08/76/35/974087635.db2.gz MLKFARJMCUAWFP-OAHLLOKOSA-N -1 0 329.440 3.746 20 0 EHADRM COc1cccc([C@@H](C)CCCC(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC001604857126 974101777 /nfs/dbraw/zinc/10/17/77/974101777.db2.gz UIUCSWXVQJUAHW-HOTGVXAUSA-N -1 0 347.455 3.682 20 0 EHADRM Cc1ccc(CCCCC(=O)N2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000439698752 974106875 /nfs/dbraw/zinc/10/68/75/974106875.db2.gz NMJUKURYFGRLME-SFHVURJKSA-N -1 0 337.419 3.923 20 0 EHADRM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000439790220 974109757 /nfs/dbraw/zinc/10/97/57/974109757.db2.gz HNWYWXJTUAYQSC-GUYCJALGSA-N -1 0 327.380 3.900 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)CCCc1cccs1)c1cccc(F)c1 ZINC000449006471 974144416 /nfs/dbraw/zinc/14/44/16/974144416.db2.gz YQEDITRWTQDJGE-GOSISDBHSA-N -1 0 349.427 3.716 20 0 EHADRM Cc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000450544781 974148314 /nfs/dbraw/zinc/14/83/14/974148314.db2.gz RKZIFUUQPIUISF-CYBMUJFWSA-N -1 0 329.371 3.536 20 0 EHADRM Cc1scc(C(=O)N[C@@](C)(CC(=O)[O-])c2cccc(F)c2)c1C ZINC000450527003 974148412 /nfs/dbraw/zinc/14/84/12/974148412.db2.gz XLLZPLWMLOBZOQ-KRWDZBQOSA-N -1 0 335.400 3.624 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000455862563 974154917 /nfs/dbraw/zinc/15/49/17/974154917.db2.gz HUAHVKGMVUQVJS-UHFFFAOYSA-N -1 0 341.382 3.619 20 0 EHADRM Cc1ccccc1C(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC000455866881 974156225 /nfs/dbraw/zinc/15/62/25/974156225.db2.gz NYBGBCUSSWKMND-UHFFFAOYSA-N -1 0 337.419 3.788 20 0 EHADRM CCC[C@H](C)CC(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000455919980 974169228 /nfs/dbraw/zinc/16/92/28/974169228.db2.gz HQLJVRBGWNGPDL-IINYFYTJSA-N -1 0 331.334 3.931 20 0 EHADRM O=C([O-])CCc1ccc(-c2noc(C[C@H]3CNc4ccccc43)n2)cc1 ZINC000904509864 1032085387 /nfs/dbraw/zinc/08/53/87/1032085387.db2.gz MLAKNTWESDYITP-HNNXBMFYSA-N -1 0 349.390 3.506 20 0 EHADRM CC1(C)CN(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c2cccc(Cl)c21 ZINC000499165764 974265810 /nfs/dbraw/zinc/26/58/10/974265810.db2.gz BOAPTJOXVLCGQZ-NWDGAFQWSA-N -1 0 335.831 3.855 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)cc1 ZINC000500637288 974268079 /nfs/dbraw/zinc/26/80/79/974268079.db2.gz UXAXYJFIQUKHCA-UHFFFAOYSA-N -1 0 342.738 3.946 20 0 EHADRM CCc1ccc([C@H]2CN([C@H](C)c3ccc(C(=O)[O-])o3)CCO2)cc1 ZINC000514791406 974292675 /nfs/dbraw/zinc/29/26/75/974292675.db2.gz RGZWFLWJFOVWKI-FZKQIMNGSA-N -1 0 329.396 3.675 20 0 EHADRM CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)C[C@H](C)CC(=O)[O-] ZINC000516784925 974309698 /nfs/dbraw/zinc/30/96/98/974309698.db2.gz RUUFMZZKFBDYOR-YVEFUNNKSA-N -1 0 325.836 3.996 20 0 EHADRM Cc1ccc(CC(=O)[O-])cc1-c1cc(F)ccc1OC[C@H]1CCOC1 ZINC000516981290 974312700 /nfs/dbraw/zinc/31/27/00/974312700.db2.gz IHMIMXDAEKCDKS-HNNXBMFYSA-N -1 0 344.382 3.844 20 0 EHADRM C[C@@H]1CN(Cc2csc(C(=O)[O-])c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000517948065 974320422 /nfs/dbraw/zinc/32/04/22/974320422.db2.gz COPIBAFGSVUACD-ABAIWWIYSA-N -1 0 335.400 3.547 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)nc1 ZINC000519604415 974330563 /nfs/dbraw/zinc/33/05/63/974330563.db2.gz DBIYULOXGBWVIX-CYBMUJFWSA-N -1 0 326.396 3.721 20 0 EHADRM O=C([O-])c1occc1CN1CCc2c(cccc2C(F)(F)F)C1 ZINC000528748706 974352554 /nfs/dbraw/zinc/35/25/54/974352554.db2.gz KIVVIWLSRVXSEZ-UHFFFAOYSA-N -1 0 325.286 3.555 20 0 EHADRM Cc1cccc([C@@H](NC(=O)NC2CCC(C(=O)[O-])CC2)C(C)C)c1 ZINC000529221846 974352888 /nfs/dbraw/zinc/35/28/88/974352888.db2.gz IAFAJJPEVIYPJG-PREGVCBESA-N -1 0 332.444 3.635 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N2CCCC[C@H]2Cc2ccccc2)c1 ZINC000537476045 974385410 /nfs/dbraw/zinc/38/54/10/974385410.db2.gz WVIXBYZSWKIGOA-IBGZPJMESA-N -1 0 337.419 3.551 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)[C@H]3COc4ccccc43)ccc2s1 ZINC000537626037 974386018 /nfs/dbraw/zinc/38/60/18/974386018.db2.gz DGUXQYWHJNAPIS-ZDUSSCGKSA-N -1 0 339.372 3.714 20 0 EHADRM CC[C@@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccc(C)c(F)c1 ZINC001603903757 974404632 /nfs/dbraw/zinc/40/46/32/974404632.db2.gz CHHKGVZMLHFBEX-SOIVGHGOSA-N -1 0 331.343 3.706 20 0 EHADRM CCc1nc2cc(NC(=O)CCc3ccccc3C(=O)[O-])ccc2o1 ZINC000540775762 974408510 /nfs/dbraw/zinc/40/85/10/974408510.db2.gz SSDFFXOWADVUIQ-UHFFFAOYSA-N -1 0 338.363 3.660 20 0 EHADRM CCc1c2ccccc2oc1C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001603966698 974441290 /nfs/dbraw/zinc/44/12/90/974441290.db2.gz LRQNXSMECJTURL-INIZCTEOSA-N -1 0 341.338 3.690 20 0 EHADRM CCc1ccc(N(CC(C)C)C(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)cc1 ZINC001603974870 974461229 /nfs/dbraw/zinc/46/12/29/974461229.db2.gz LYCITBWSENIMIB-WMZOPIPTSA-N -1 0 347.455 3.508 20 0 EHADRM Cc1oc(CN2CCO[C@H](c3cccc(Cl)c3)C2)cc1C(=O)[O-] ZINC000563282183 974526979 /nfs/dbraw/zinc/52/69/79/974526979.db2.gz GTTNMCOWDCDMMZ-INIZCTEOSA-N -1 0 335.787 3.513 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN1CCO[C@@H](c2ccc(CC)cc2)C1 ZINC000564660860 974551418 /nfs/dbraw/zinc/55/14/18/974551418.db2.gz JESAZVIHKLDUPR-LJQANCHMSA-N -1 0 343.423 3.676 20 0 EHADRM Cc1ccc(C2CC2)c(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000565300119 974579287 /nfs/dbraw/zinc/57/92/87/974579287.db2.gz VLVXDPYLQKUWTI-NRFANRHFSA-N -1 0 337.419 3.645 20 0 EHADRM Cc1c(C(=O)NC[C@H](CC2CC2)C(=O)[O-])oc2c1c(C)ccc2C ZINC000566345403 974606515 /nfs/dbraw/zinc/60/65/15/974606515.db2.gz ROFJQQQZKPSRKS-AWEZNQCLSA-N -1 0 329.396 3.589 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2cccc(C3CC3)c2)C[C@@H]1c1ccccc1 ZINC000568246457 974663063 /nfs/dbraw/zinc/66/30/63/974663063.db2.gz OKEDVOVLHXVLFI-RTBURBONSA-N -1 0 335.403 3.504 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1-c1cc(F)ccc1OC[C@H]1CCOC1 ZINC000568414225 974670324 /nfs/dbraw/zinc/67/03/24/974670324.db2.gz FRJVUJBQSURBJO-ZDUSSCGKSA-N -1 0 330.355 3.915 20 0 EHADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N(C)c1ccccc1C(C)C ZINC000569404427 974690821 /nfs/dbraw/zinc/69/08/21/974690821.db2.gz SFXAKPJBPPJDCA-UHFFFAOYSA-N -1 0 347.436 3.642 20 0 EHADRM CC(C)(C)c1cc(N2CCC3(C[C@H]3C(=O)[O-])CC2)nc(C(C)(C)C)n1 ZINC000569490181 974692929 /nfs/dbraw/zinc/69/29/29/974692929.db2.gz SPDDETQSZYVJSA-ZDUSSCGKSA-N -1 0 345.487 3.763 20 0 EHADRM O=C([O-])c1ccc(Cl)c(CN2CCO[C@@H](c3cccs3)C2)c1 ZINC000571529430 974731559 /nfs/dbraw/zinc/73/15/59/974731559.db2.gz IQDDBPRHLSJSND-CQSZACIVSA-N -1 0 337.828 3.673 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@@H](c2ccncc2)C2CCCC2)c1 ZINC000909320229 1014213591 /nfs/dbraw/zinc/21/35/91/1014213591.db2.gz GVPAMMLRJZFVRJ-QGZVFWFLSA-N -1 0 342.370 3.831 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N(C)[C@H](C)c2ccccc2)cc1C ZINC000107963520 1014219216 /nfs/dbraw/zinc/21/92/16/1014219216.db2.gz DRJPHGHHVZDKIM-WAIKUNEKSA-N -1 0 329.465 3.631 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N2CCC[C@H]3CCCC[C@@H]32)cc1C ZINC000107962984 1014215272 /nfs/dbraw/zinc/21/52/72/1014215272.db2.gz CGRYKKRFFNVXMI-WLENULPWSA-N -1 0 333.497 3.592 20 0 EHADRM CC[C@H](C(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccc(OC)cc1 ZINC000577259056 974832334 /nfs/dbraw/zinc/83/23/34/974832334.db2.gz JNYQTTGVEGHABC-SFHVURJKSA-N -1 0 341.407 3.845 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H](c3ccccc3)C2)c(F)c1 ZINC000577769121 974842398 /nfs/dbraw/zinc/84/23/98/974842398.db2.gz AKJJBWKKYJWPET-OAHLLOKOSA-N -1 0 327.355 3.544 20 0 EHADRM COc1ccc(NC(=O)c2cccc(-c3ccoc3)c2)c(C(=O)[O-])c1 ZINC000577895311 974844485 /nfs/dbraw/zinc/84/44/85/974844485.db2.gz CWXAKZOFNUKHLM-UHFFFAOYSA-N -1 0 337.331 3.906 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)CCCc2ccc(F)cc2)cc1 ZINC000578244760 974851622 /nfs/dbraw/zinc/85/16/22/974851622.db2.gz JECKASHUUFLYAD-ZDUSSCGKSA-N -1 0 329.371 3.975 20 0 EHADRM Cc1nc(C(F)(F)F)c(CN2CCC(CCC(=O)[O-])CC2)s1 ZINC000579133194 974869476 /nfs/dbraw/zinc/86/94/76/974869476.db2.gz WQUIMWSCRFJHJJ-UHFFFAOYSA-N -1 0 336.379 3.547 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N(C)Cc1ccccc1-c1ccccc1 ZINC000579859612 974884472 /nfs/dbraw/zinc/88/44/72/974884472.db2.gz YWDQDOSCCIXMOE-HNNXBMFYSA-N -1 0 325.408 3.813 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCCC[C@@H]2C2CC2)C[C@@H]1c1ccccc1 ZINC000580716160 974898858 /nfs/dbraw/zinc/89/88/58/974898858.db2.gz AGPMSUMMLKJUNM-NCXUSEDFSA-N -1 0 341.451 3.530 20 0 EHADRM Cc1oc(CN(C)Cc2cc(C)ccc2OC(F)F)cc1C(=O)[O-] ZINC000582008593 974919316 /nfs/dbraw/zinc/91/93/16/974919316.db2.gz SLOXTPRGBGBGFO-UHFFFAOYSA-N -1 0 339.338 3.828 20 0 EHADRM CC(C)c1nc(CN(Cc2ccccc2)C[C@@H](C)C(=O)[O-])cs1 ZINC000584416174 974955365 /nfs/dbraw/zinc/95/53/65/974955365.db2.gz PVKLQMRTXOIFOC-CQSZACIVSA-N -1 0 332.469 3.989 20 0 EHADRM CCCC[C@@H](C(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1)C(C)C ZINC000621537974 975028740 /nfs/dbraw/zinc/02/87/40/975028740.db2.gz BYDAIEQMWWVIOQ-WMLDXEAASA-N -1 0 335.444 3.790 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1[nH]c2ccccc2c1Cl)c1cccs1 ZINC000621564964 975032317 /nfs/dbraw/zinc/03/23/17/975032317.db2.gz LIXXMWDZWWDFJO-LLVKDONJSA-N -1 0 348.811 3.829 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000621579586 975040683 /nfs/dbraw/zinc/04/06/83/975040683.db2.gz RJPZRRLDULCBDE-OAHLLOKOSA-N -1 0 329.440 3.876 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)c1ccccc1SCc1ccco1 ZINC000621583753 975043789 /nfs/dbraw/zinc/04/37/89/975043789.db2.gz NWZPEUWGYMAHQN-UHFFFAOYSA-N -1 0 333.409 3.509 20 0 EHADRM Cc1oc(C)c(C(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)c1C ZINC000621587823 975045320 /nfs/dbraw/zinc/04/53/20/975045320.db2.gz KOWCVHWKTHHIIN-HOTGVXAUSA-N -1 0 327.380 3.635 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000621611346 975059947 /nfs/dbraw/zinc/05/99/47/975059947.db2.gz ASAZGCQMTZDGAR-QWHCGFSZSA-N -1 0 346.452 3.596 20 0 EHADRM C[C@H]1CN(c2ccnc3cc(Br)ccc32)CC[C@H]1C(=O)[O-] ZINC000629768139 975095820 /nfs/dbraw/zinc/09/58/20/975095820.db2.gz GDAQQPQPWFBADG-CMPLNLGQSA-N -1 0 349.228 3.544 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@H](Cc3ccc(C)cc3)C2)oc1C(=O)[O-] ZINC000630114532 975107702 /nfs/dbraw/zinc/10/77/02/975107702.db2.gz QQDCFPBAVBCGAJ-MRXNPFEDSA-N -1 0 341.407 3.690 20 0 EHADRM Cc1cc(C(=O)N2CCSC[C@H]2c2ccc(C)cc2)oc1C(=O)[O-] ZINC000630118072 975108500 /nfs/dbraw/zinc/10/85/00/975108500.db2.gz DHYYQJGDTBMHGA-AWEZNQCLSA-N -1 0 345.420 3.525 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1ccc(C(F)F)o1 ZINC000630159044 975135672 /nfs/dbraw/zinc/13/56/72/975135672.db2.gz LEIMGAGUOKNYKL-UHFFFAOYSA-N -1 0 337.322 3.724 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)cc1 ZINC000630161615 975136743 /nfs/dbraw/zinc/13/67/43/975136743.db2.gz YAGXJBCJOLDXMG-IRXDYDNUSA-N -1 0 327.355 3.585 20 0 EHADRM C[C@]1(NC(=O)CCc2ccc(C(F)F)cc2)CCCC[C@H]1C(=O)[O-] ZINC000630163962 975138868 /nfs/dbraw/zinc/13/88/68/975138868.db2.gz RNUHJRWSQBAFLI-KSSFIOAISA-N -1 0 339.382 3.707 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@@H]2CCCc2ccccc2)oc1C(=O)[O-] ZINC000630180080 975145504 /nfs/dbraw/zinc/14/55/04/975145504.db2.gz CCBUETOLAKIAAU-INIZCTEOSA-N -1 0 341.407 3.914 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)c2cccc(C3CC3)c2)cc1F)C(=O)[O-] ZINC000630260104 975204242 /nfs/dbraw/zinc/20/42/42/975204242.db2.gz HDKMXWHOLQWIFU-NSHDSACASA-N -1 0 343.354 3.807 20 0 EHADRM CCC(F)(F)C(C)(C)CNC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000630262947 975205968 /nfs/dbraw/zinc/20/59/68/975205968.db2.gz RDPQDKQNVAAISN-UHFFFAOYSA-N -1 0 327.371 3.505 20 0 EHADRM CCSc1ccccc1C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC000630263849 975207037 /nfs/dbraw/zinc/20/70/37/975207037.db2.gz AVLDJFBISKZCQV-OAHLLOKOSA-N -1 0 335.469 3.810 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1occc1-c1ccccc1)C1CCCCC1 ZINC000630265778 975209235 /nfs/dbraw/zinc/20/92/35/975209235.db2.gz UTBCGMHEMJELNP-KRWDZBQOSA-N -1 0 341.407 3.958 20 0 EHADRM CC[C@@H](C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1)c1ccc(OC)cc1 ZINC000630268109 975211930 /nfs/dbraw/zinc/21/19/30/975211930.db2.gz WCBFRMMGCSSAGP-QZTJIDSGSA-N -1 0 347.455 3.586 20 0 EHADRM COc1cc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)ccc1C(F)(F)F ZINC000630292183 975233488 /nfs/dbraw/zinc/23/34/88/975233488.db2.gz KXLUXKGFQMMTIT-ZJUUUORDSA-N -1 0 345.317 3.544 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000630291113 975233850 /nfs/dbraw/zinc/23/38/50/975233850.db2.gz LIQWKQQGAGSIJH-MRXNPFEDSA-N -1 0 343.810 3.597 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N[C@H]2CCC[C@H](c3ccccc3)C2)CC1 ZINC000630294318 975235108 /nfs/dbraw/zinc/23/51/08/975235108.db2.gz LJWBFUSDAGABHD-XSLAGTTESA-N -1 0 329.440 3.720 20 0 EHADRM CCc1ccc([C@H]2CCCN(C(=O)c3cc(C(=O)[O-])co3)C2)cc1 ZINC000630294679 975235114 /nfs/dbraw/zinc/23/51/14/975235114.db2.gz PCLFWZNQMOIOAC-HNNXBMFYSA-N -1 0 327.380 3.560 20 0 EHADRM Cc1cc(C(=O)N2[C@H](C)C[C@@H](c3ccccc3)[C@H]2C)oc1C(=O)[O-] ZINC000630295998 975235580 /nfs/dbraw/zinc/23/55/80/975235580.db2.gz XCJNYWBNWNLJBW-UMVBOHGHSA-N -1 0 327.380 3.693 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N[C@@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000630304412 975241548 /nfs/dbraw/zinc/24/15/48/975241548.db2.gz IEECCUNWCPBHEG-XJKCOSOUSA-N -1 0 335.831 3.725 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)N2C3CCC2(C(=O)[O-])CC3)cc1 ZINC000630324607 975252927 /nfs/dbraw/zinc/25/29/27/975252927.db2.gz OEPRLOOXEFWSFY-ONEGZZNKSA-N -1 0 327.424 3.822 20 0 EHADRM Cc1ccc(OCC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c(C)c1 ZINC000630327609 975254661 /nfs/dbraw/zinc/25/46/61/975254661.db2.gz OHVQTWSVUVRDMW-DLBZAZTESA-N -1 0 339.391 3.509 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)CCSc2ccccc2)cc1 ZINC000630327667 975255038 /nfs/dbraw/zinc/25/50/38/975255038.db2.gz QKKRSKDVZPQJQB-DLBZAZTESA-N -1 0 341.432 3.996 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C1CC(c2ccc(F)cc2)C1)c1cccs1 ZINC000634803306 975275973 /nfs/dbraw/zinc/27/59/73/975275973.db2.gz PPJQMDWBUCZVIA-SSDMNJCBSA-N -1 0 347.411 3.713 20 0 EHADRM Cc1cc(C)c(NC(=O)C[C@@H](C)CC(=O)[O-])cc1Br ZINC000634829969 975278521 /nfs/dbraw/zinc/27/85/21/975278521.db2.gz KYWXGTVSUDYIRR-MRVPVSSYSA-N -1 0 328.206 3.505 20 0 EHADRM O=C([O-])CC1(CC(=O)NCc2csc(C(F)(F)F)c2)CCCC1 ZINC000634849424 975279102 /nfs/dbraw/zinc/27/91/02/975279102.db2.gz BSQCPKBZCPRIKW-UHFFFAOYSA-N -1 0 349.374 3.808 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)[C@@H]1CCCc2ccccc21)c1cccs1 ZINC000642146484 975288752 /nfs/dbraw/zinc/28/87/52/975288752.db2.gz KMVKQBBKMSYDES-HUUCEWRRSA-N -1 0 329.421 3.500 20 0 EHADRM Cc1c(C(=O)Nc2cccc(C(=O)[O-])c2C)cnn1-c1ccccc1C ZINC000642148248 975289677 /nfs/dbraw/zinc/28/96/77/975289677.db2.gz IHLBZCOBHHUYQK-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM O=C([O-])c1ccc(N[C@@H]2CCCc3cn(C4CCCC4)nc32)nc1 ZINC000647452962 975364146 /nfs/dbraw/zinc/36/41/46/975364146.db2.gz RRJOIKICMOMQIV-OAHLLOKOSA-N -1 0 326.400 3.581 20 0 EHADRM CC[C@H](CNC(=O)c1ccc(CSc2ccccc2)cc1)C(=O)[O-] ZINC000649260973 975404404 /nfs/dbraw/zinc/40/44/04/975404404.db2.gz YODALBJFPSMAAR-OAHLLOKOSA-N -1 0 343.448 3.820 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000649353137 975406394 /nfs/dbraw/zinc/40/63/94/975406394.db2.gz TZURWVSOSRGSIT-UHFFFAOYSA-N -1 0 329.396 3.829 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(C(C)C)oc2C)cc1 ZINC000649353230 975407435 /nfs/dbraw/zinc/40/74/35/975407435.db2.gz OBHXXKBWIWRQHE-MRXNPFEDSA-N -1 0 345.395 3.666 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2CCCC(C)(C)C2)cc1 ZINC000649353236 975407448 /nfs/dbraw/zinc/40/74/48/975407448.db2.gz OYPFBSRDIFUNNQ-ZBFHGGJFSA-N -1 0 333.428 3.544 20 0 EHADRM CC(C)Nc1cc(F)ccc1NC(=O)c1ccccc1CCC(=O)[O-] ZINC001591667797 975421692 /nfs/dbraw/zinc/42/16/92/975421692.db2.gz FFZUZACEMXQYMR-UHFFFAOYSA-N -1 0 344.386 3.916 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1C[C@@H]1C1CCCC1)c1ccc(Cl)cc1 ZINC000652063220 975463097 /nfs/dbraw/zinc/46/30/97/975463097.db2.gz GNKHGXVZKHMMHE-PMPSAXMXSA-N -1 0 335.831 3.798 20 0 EHADRM CC(C)O[C@H](C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC001591686844 975500735 /nfs/dbraw/zinc/50/07/35/975500735.db2.gz UHYJMIUXGIWOEE-WBMJQRKESA-N -1 0 332.352 3.748 20 0 EHADRM CCc1nc(CN(C)[C@H](C(=O)[O-])c2c(F)cccc2Cl)cs1 ZINC000652402486 975522241 /nfs/dbraw/zinc/52/22/41/975522241.db2.gz IFLMPAUOLOLEHQ-AWEZNQCLSA-N -1 0 342.823 3.756 20 0 EHADRM COc1cc(CN(C)Cc2cc(C(=O)[O-])c(C)o2)ccc1SC ZINC000652405127 975522417 /nfs/dbraw/zinc/52/24/17/975522417.db2.gz DIWYMWROIKQIGG-UHFFFAOYSA-N -1 0 335.425 3.649 20 0 EHADRM CCO[C@H](C)c1nc(CN(C)Cc2ccccc2C(=O)[O-])cs1 ZINC000652430214 975530532 /nfs/dbraw/zinc/53/05/32/975530532.db2.gz SYRWHBJPGLXTLV-GFCCVEGCSA-N -1 0 334.441 3.571 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1cccc(CC(=O)[O-])c1 ZINC000653637824 975601148 /nfs/dbraw/zinc/60/11/48/975601148.db2.gz ABHWRMXBYRYGSL-INIZCTEOSA-N -1 0 341.407 3.659 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000653644297 975612426 /nfs/dbraw/zinc/61/24/26/975612426.db2.gz DDUYCMHYNVKNKW-CRAIPNDOSA-N -1 0 341.382 3.519 20 0 EHADRM CC(C)c1ccc(C[C@@H](C)NC(=O)c2cccc(CC(=O)[O-])c2)cc1 ZINC000653644598 975614190 /nfs/dbraw/zinc/61/41/90/975614190.db2.gz YNSONNNHCLXBNO-OAHLLOKOSA-N -1 0 339.435 3.798 20 0 EHADRM COc1ccc(-c2nc(NC(=O)CCCCC(=O)[O-])sc2C)cc1 ZINC000655550306 975627539 /nfs/dbraw/zinc/62/75/39/975627539.db2.gz PWIQDGXQVJDAQU-UHFFFAOYSA-N -1 0 348.424 3.711 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000656237333 975651954 /nfs/dbraw/zinc/65/19/54/975651954.db2.gz SCVLXWSTEBLUTQ-ZJUUUORDSA-N -1 0 332.227 3.542 20 0 EHADRM CC[C@@H](C)c1nc(C)c(CC(=O)Nc2cc(C(=O)[O-])cs2)c(C)n1 ZINC000656238563 975653351 /nfs/dbraw/zinc/65/33/51/975653351.db2.gz PMIOXEHLENTJQK-SECBINFHSA-N -1 0 347.440 3.548 20 0 EHADRM COc1cc(NC(=O)C[C@H](C)CC(=O)[O-])c(C2CC2)cc1Cl ZINC000656248933 975657927 /nfs/dbraw/zinc/65/79/27/975657927.db2.gz MKQROSMVTPWWDF-VIFPVBQESA-N -1 0 325.792 3.665 20 0 EHADRM CC(C)OCCCC(=O)O[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001591722107 975658436 /nfs/dbraw/zinc/65/84/36/975658436.db2.gz HCVIQPRUNDERFI-AWEZNQCLSA-N -1 0 349.210 3.868 20 0 EHADRM COCc1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1C(F)(F)F ZINC000656486922 975659566 /nfs/dbraw/zinc/65/95/66/975659566.db2.gz SXIMGUVDLXNBFE-UHFFFAOYSA-N -1 0 347.333 3.681 20 0 EHADRM CCN(CC)C(=O)N(C)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000656524775 975662218 /nfs/dbraw/zinc/66/22/18/975662218.db2.gz NPXTWZAJPZOKJY-GFCCVEGCSA-N -1 0 333.215 3.513 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)Nc2c(F)cc(Cl)cc2F)CC1 ZINC000656602684 975663753 /nfs/dbraw/zinc/66/37/53/975663753.db2.gz LRXPPIVWOJDCFQ-UHFFFAOYSA-N -1 0 346.761 3.727 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(NCCCOC(C)(C)C)c12 ZINC000656783186 975705150 /nfs/dbraw/zinc/70/51/50/975705150.db2.gz OBETVYVFLGGEIJ-UHFFFAOYSA-N -1 0 337.445 3.623 20 0 EHADRM Cc1ccc([C@@H]2C[C@H]2C(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1C ZINC000659119019 975715831 /nfs/dbraw/zinc/71/58/31/975715831.db2.gz DJXNYZLXGIGUBV-ARFHVFGLSA-N -1 0 343.448 3.801 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000659122370 975721846 /nfs/dbraw/zinc/72/18/46/975721846.db2.gz LKYJESJFUHDVES-JSGCOSHPSA-N -1 0 327.380 3.613 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1cccc(Cl)c1OC(C)C ZINC000659123133 975722998 /nfs/dbraw/zinc/72/29/98/975722998.db2.gz UDYZRYVGHHQAAT-UHFFFAOYSA-N -1 0 337.759 3.979 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)C1CC2(C1)CCCCC2)c1ccccc1 ZINC000659129484 975729129 /nfs/dbraw/zinc/72/91/29/975729129.db2.gz RWXHEJPOMNZKGK-YOEHRIQHSA-N -1 0 329.440 3.925 20 0 EHADRM CCC[C@@H](C(=O)NC1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000659130333 975729136 /nfs/dbraw/zinc/72/91/36/975729136.db2.gz IXPZVUWDGJWEAI-AVVWSFFYSA-N -1 0 337.847 3.983 20 0 EHADRM Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1C ZINC000659144236 975744462 /nfs/dbraw/zinc/74/44/62/975744462.db2.gz CRHPODUISPVULG-OKZBNKHCSA-N -1 0 343.467 3.756 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000659144796 975744515 /nfs/dbraw/zinc/74/45/15/975744515.db2.gz FCDGQRNHXIGAHB-BMIGLBTASA-N -1 0 331.343 3.649 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000659145470 975745795 /nfs/dbraw/zinc/74/57/95/975745795.db2.gz LUNIGDNAZPUQSO-ZUZCIYMTSA-N -1 0 331.343 3.649 20 0 EHADRM CC(C)Oc1c(F)cc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1F ZINC001591741466 975754617 /nfs/dbraw/zinc/75/46/17/975754617.db2.gz ZIBBYWXVLOVGKV-NWDGAFQWSA-N -1 0 341.354 3.582 20 0 EHADRM CC(C)Oc1c(NC(=O)[C@H]2CCCCCC(=O)C2)cccc1C(=O)[O-] ZINC001591742139 975759439 /nfs/dbraw/zinc/75/94/39/975759439.db2.gz VGOKVLJFJKIDHU-ZDUSSCGKSA-N -1 0 347.411 3.650 20 0 EHADRM C[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21)c1cccc(Cl)c1 ZINC000659192269 975790935 /nfs/dbraw/zinc/79/09/35/975790935.db2.gz FXTYGROWEOECJX-IEAZIUSSSA-N -1 0 349.858 3.935 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)[C@@H]2CCCC[C@@H]12 ZINC000659195173 975797169 /nfs/dbraw/zinc/79/71/69/975797169.db2.gz WYMOPZHYIDOEKF-DWMDIXPDSA-N -1 0 333.472 3.695 20 0 EHADRM CC(C)Oc1cc(Cl)ccc1-c1noc(C23CC(C(=O)[O-])(C2)C3)n1 ZINC001591755771 975821467 /nfs/dbraw/zinc/82/14/67/975821467.db2.gz SHZCREOLYVUIHG-UHFFFAOYSA-N -1 0 348.786 3.684 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1C[C@@H]2CCCC[C@@H]21 ZINC001591767341 975878742 /nfs/dbraw/zinc/87/87/42/975878742.db2.gz LTVUEIAVARGLEI-ZFWWWQNUSA-N -1 0 332.400 3.578 20 0 EHADRM O=C([O-])C1CCC(Nc2nc3cccc(OC(F)F)c3s2)CC1 ZINC000662880327 975910867 /nfs/dbraw/zinc/91/08/67/975910867.db2.gz XOHMSHUGTSZTCL-UHFFFAOYSA-N -1 0 342.367 3.953 20 0 EHADRM CC(C)Oc1ccc(COC(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC001591775793 975920620 /nfs/dbraw/zinc/92/06/20/975920620.db2.gz VDNPBUNWQHGVGL-UHFFFAOYSA-N -1 0 332.327 3.668 20 0 EHADRM CN(Cc1ccc(Cl)cc1Cl)C(=O)NCCCCCC(=O)[O-] ZINC000666555212 975971613 /nfs/dbraw/zinc/97/16/13/975971613.db2.gz YMBJDCLTOILALQ-UHFFFAOYSA-N -1 0 347.242 3.780 20 0 EHADRM O=C([O-])CCCCNC(=O)N1C[C@H](c2ccccc2)c2ccccc21 ZINC000666559696 975973149 /nfs/dbraw/zinc/97/31/49/975973149.db2.gz YZRGWCTUUSYCHH-QGZVFWFLSA-N -1 0 338.407 3.603 20 0 EHADRM CO[C@H]1CCC[C@H](CC(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)C1 ZINC000668269602 975978085 /nfs/dbraw/zinc/97/80/85/975978085.db2.gz NWWBBXIKYGNUNB-ZFWWWQNUSA-N -1 0 349.427 3.706 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(C1CCC1)C1CCC1 ZINC000668273949 975980574 /nfs/dbraw/zinc/98/05/74/975980574.db2.gz PCUCUCMHBYATSQ-UHFFFAOYSA-N -1 0 331.412 3.613 20 0 EHADRM Cc1cccc2cc(C(=O)N3CCC(CCC(=O)[O-])CC3)sc21 ZINC000668281451 975984697 /nfs/dbraw/zinc/98/46/97/975984697.db2.gz WBPOTURHJWVTCI-UHFFFAOYSA-N -1 0 331.437 3.927 20 0 EHADRM O=C([O-])c1ccc2c(c1)[C@@H](CNC(=O)c1ccsc1Cl)CCC2 ZINC000668295351 975990122 /nfs/dbraw/zinc/99/01/22/975990122.db2.gz QACVKIPNFRVNFO-GFCCVEGCSA-N -1 0 349.839 3.950 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2CCC[C@@H](c3ccc(F)cc3)CC2)CC1 ZINC000668314788 975993571 /nfs/dbraw/zinc/99/35/71/975993571.db2.gz YFLKLIMGBZAXKI-DJIMGWMZSA-N -1 0 347.430 3.813 20 0 EHADRM CC(C)Oc1ccccc1[C@@H](C)NC(=O)c1ccsc1CC(=O)[O-] ZINC001591795764 976002303 /nfs/dbraw/zinc/00/23/03/976002303.db2.gz JTWLHNWZAJEVHB-GFCCVEGCSA-N -1 0 347.436 3.653 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000669436741 976005543 /nfs/dbraw/zinc/00/55/43/976005543.db2.gz FJVIAAVYVFZRAF-AEFFLSMTSA-N -1 0 345.439 3.719 20 0 EHADRM C[C@H]1CCCC[C@H]1OCC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000676003686 976027238 /nfs/dbraw/zinc/02/72/38/976027238.db2.gz TYFQKGHHIIGRBE-IINYFYTJSA-N -1 0 325.792 3.572 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)CC/C=C\c2ccccc2)Cc2ccccc21 ZINC000679095690 976039788 /nfs/dbraw/zinc/03/97/88/976039788.db2.gz LHFCTOXKGRQFIV-KZIVNFMESA-N -1 0 335.403 3.691 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000679103312 976044174 /nfs/dbraw/zinc/04/41/74/976044174.db2.gz SGVGOGNOHGONPM-GDBMZVCRSA-N -1 0 349.446 3.744 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1 ZINC000680360645 976052133 /nfs/dbraw/zinc/05/21/33/976052133.db2.gz PAABXHHLMHQVPU-UHFFFAOYSA-N -1 0 328.755 3.701 20 0 EHADRM Cc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3C(=O)[O-])s2)o1 ZINC000681678539 976071057 /nfs/dbraw/zinc/07/10/57/976071057.db2.gz BGPKRBHCVGCREZ-UHFFFAOYSA-N -1 0 342.376 3.970 20 0 EHADRM O=C([O-])[C@@H](NCc1cc(F)cc(Cl)c1)c1cc(F)ccc1F ZINC000683173573 976080603 /nfs/dbraw/zinc/08/06/03/976080603.db2.gz MQXZOIATGLVUHG-AWEZNQCLSA-N -1 0 329.705 3.673 20 0 EHADRM C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)CC(C)(C)CC(=O)[O-] ZINC000683302200 976084029 /nfs/dbraw/zinc/08/40/29/976084029.db2.gz FOHHCWWXQFQGOL-AWEZNQCLSA-N -1 0 349.471 3.759 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCCC[C@@H]2CCc2ccccc2)C1 ZINC000683335187 976089921 /nfs/dbraw/zinc/08/99/21/976089921.db2.gz IXKYNIRLVRAJAG-IPMKNSEASA-N -1 0 343.467 3.891 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2ccccc2SCc2ccco2)C1 ZINC000684771328 976092034 /nfs/dbraw/zinc/09/20/34/976092034.db2.gz FMOMSQWKXFNUAT-OLZOCXBDSA-N -1 0 345.420 3.555 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)N2CCOc3c(cccc3C(=O)[O-])C2)CC1 ZINC001591907524 976312450 /nfs/dbraw/zinc/31/24/50/976312450.db2.gz SIIWQQNREPRGGV-SHTZXODSSA-N -1 0 345.439 3.568 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)N[C@@](C)(Cc2ccc(F)cc2)C(=O)[O-])CC1 ZINC001591907802 976314638 /nfs/dbraw/zinc/31/46/38/976314638.db2.gz ZVQVNSNETAEAAI-FTRWYGJKSA-N -1 0 349.446 3.790 20 0 EHADRM CC(C)c1c[nH]c(SCC(=O)c2c[nH]c3ccc(C(=O)[O-])cc23)n1 ZINC001591925813 976410920 /nfs/dbraw/zinc/41/09/20/976410920.db2.gz ITFWYCZHJLBRGG-UHFFFAOYSA-N -1 0 343.408 3.688 20 0 EHADRM CC(C)c1nc(NC(=O)c2ccc(C(C)C)cn2)sc1C(=O)[O-] ZINC001591947812 976494799 /nfs/dbraw/zinc/49/47/99/976494799.db2.gz XPJLHBUBVGUINP-UHFFFAOYSA-N -1 0 333.413 3.735 20 0 EHADRM CC(C)c1ccc(NC(=O)N2CC(Cc3ccco3)C2)c(C(=O)[O-])c1 ZINC001591965681 976558409 /nfs/dbraw/zinc/55/84/09/976558409.db2.gz NTHWMSWVICOFQJ-UHFFFAOYSA-N -1 0 342.395 3.808 20 0 EHADRM CC(C)c1ccc(NCC(=O)Nc2ccc(F)cc2F)c(C(=O)[O-])c1 ZINC001591967427 976563468 /nfs/dbraw/zinc/56/34/68/976563468.db2.gz ACDQFUVNUGFNDH-UHFFFAOYSA-N -1 0 348.349 3.837 20 0 EHADRM CC(C)c1ccc(NC(=O)c2ccc(N(C)C)cc2)c(C(=O)[O-])c1 ZINC001591968194 976565387 /nfs/dbraw/zinc/56/53/87/976565387.db2.gz KFYGKCUZCUQTAO-UHFFFAOYSA-N -1 0 326.396 3.827 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1cc(C(=O)[O-])ccn1)CCC2 ZINC001591981719 976598859 /nfs/dbraw/zinc/59/88/59/976598859.db2.gz ZKHMKMVUZFHCIU-KRWDZBQOSA-N -1 0 338.407 3.711 20 0 EHADRM CC(C)c1cccc(C(=O)N2CCOc3c(cccc3C(=O)[O-])C2)c1 ZINC001591984147 976606770 /nfs/dbraw/zinc/60/67/70/976606770.db2.gz ZKZZGHWOACNECW-UHFFFAOYSA-N -1 0 339.391 3.543 20 0 EHADRM CC(C)c1cccc(NC(=O)CSCc2cccc(C(=O)[O-])n2)c1 ZINC001591991467 976618200 /nfs/dbraw/zinc/61/82/00/976618200.db2.gz GVSYNTBMHYBYGN-UHFFFAOYSA-N -1 0 344.436 3.775 20 0 EHADRM CC(C)c1ccccc1OCCC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001592004084 976666854 /nfs/dbraw/zinc/66/68/54/976666854.db2.gz LMBFVHQWZCHMGB-UHFFFAOYSA-N -1 0 341.407 3.594 20 0 EHADRM CC(C)c1nc(N[C@@H](C[C@H]2CCCOC2)C(=O)[O-])cc(C(C)(C)C)n1 ZINC001592030156 976734406 /nfs/dbraw/zinc/73/44/06/976734406.db2.gz CAXRBYILRNVDEZ-KGLIPLIRSA-N -1 0 349.475 3.579 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)N3CC[C@@H](C(=O)[O-])[C@@H]3C)cc2s1 ZINC001592031483 976741123 /nfs/dbraw/zinc/74/11/23/976741123.db2.gz FZJYGVWSPBYPOE-CMPLNLGQSA-N -1 0 347.440 3.747 20 0 EHADRM CC(C)c1oncc1C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001592107852 976888728 /nfs/dbraw/zinc/88/87/28/976888728.db2.gz FGSWIPGIJONROG-UHFFFAOYSA-N -1 0 326.711 3.541 20 0 EHADRM CC(C)c1oncc1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001592107890 976889558 /nfs/dbraw/zinc/88/95/58/976889558.db2.gz IAEXFJNFGQFRIN-UHFFFAOYSA-N -1 0 330.365 3.963 20 0 EHADRM CC(C)c1sc(NC(=O)NCCCC(=O)[O-])nc1-c1ccccc1 ZINC001592111937 976904899 /nfs/dbraw/zinc/90/48/99/976904899.db2.gz SQMAHKCCBIIAHH-UHFFFAOYSA-N -1 0 347.440 3.920 20 0 EHADRM CC(C)n1cc(NCc2ccc(C(=O)[O-])cc2C(F)(F)F)cn1 ZINC001592131906 976972283 /nfs/dbraw/zinc/97/22/83/976972283.db2.gz UXEPAFMIEVTSDM-UHFFFAOYSA-N -1 0 327.306 3.793 20 0 EHADRM CC(C)n1ccnc1SCCOc1ccc(/C=C/C(=O)[O-])cc1 ZINC001592144804 976999327 /nfs/dbraw/zinc/99/93/27/976999327.db2.gz TWOPRLQDRWCWDD-VMPITWQZSA-N -1 0 332.425 3.733 20 0 EHADRM O=S(=O)([N-]c1cccc2cccnc21)c1cc(F)cc(Cl)c1 ZINC000339416840 1014381501 /nfs/dbraw/zinc/38/15/01/1014381501.db2.gz QXMPEFQLBIWPBH-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM C[C@@H](CC(=O)N1CCCCc2cc(C(=O)[O-])ccc21)c1ccncc1 ZINC001592233236 977430997 /nfs/dbraw/zinc/43/09/97/977430997.db2.gz DSGPFAPGTOEVNW-AWEZNQCLSA-N -1 0 338.407 3.643 20 0 EHADRM C[C@H](CC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])c1ccccc1F ZINC001592242478 977461439 /nfs/dbraw/zinc/46/14/39/977461439.db2.gz JFVRTHXFDKMFEI-CXAGYDPISA-N -1 0 335.419 3.859 20 0 EHADRM C[C@H](CC(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-])C(F)(F)F ZINC001592261431 977502354 /nfs/dbraw/zinc/50/23/54/977502354.db2.gz CCQKMPQUNRULCD-RXMQYKEDSA-N -1 0 327.661 3.704 20 0 EHADRM C[C@@H](CC(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1)c1c[nH]c2ccccc12 ZINC001592262111 977506844 /nfs/dbraw/zinc/50/68/44/977506844.db2.gz OQMGBODVDVWGLC-YRVVQQKDSA-N -1 0 342.439 3.811 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC001592367838 977874783 /nfs/dbraw/zinc/87/47/83/977874783.db2.gz WSCWCHAMROGLOE-NSHDSACASA-N -1 0 344.436 3.738 20 0 EHADRM COc1cc(O)ccc1Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001211489800 1014435548 /nfs/dbraw/zinc/43/55/48/1014435548.db2.gz IWKORZWMKXIBHF-UHFFFAOYSA-N -1 0 327.258 3.861 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N(Cc1ccccc1)Cc1ccccc1F ZINC001592371637 977896807 /nfs/dbraw/zinc/89/68/07/977896807.db2.gz XWHCSRFGTPUEHG-OAHLLOKOSA-N -1 0 343.398 3.855 20 0 EHADRM CCCN(C(=O)N[C@H](C)c1ccc(SC)cc1)[C@@H](CC)C(=O)[O-] ZINC000654815671 1014439672 /nfs/dbraw/zinc/43/96/72/1014439672.db2.gz BHZWJEKGJIDJDT-DOMZBBRYSA-N -1 0 338.473 3.754 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Oc1ccc(Br)c(Cl)c1 ZINC001592402067 977968259 /nfs/dbraw/zinc/96/82/59/977968259.db2.gz MJRMACZOKGEKEH-SSDOTTSWSA-N -1 0 335.581 3.509 20 0 EHADRM C[C@H](CC(=O)[O-])c1nc([C@H](C)c2ccc(Br)cc2)no1 ZINC001592424473 978046232 /nfs/dbraw/zinc/04/62/32/978046232.db2.gz SOYGBJMCFYDFOZ-RKDXNWHRSA-N -1 0 339.189 3.562 20 0 EHADRM C[C@@H](CC(=O)OCc1ccc(C(=O)[O-])c(Cl)c1)c1ccncc1 ZINC001592433259 978065307 /nfs/dbraw/zinc/06/53/07/978065307.db2.gz DUBWNJMKKPQXIS-NSHDSACASA-N -1 0 333.771 3.670 20 0 EHADRM C[C@H](CC(=O)Oc1c(C(=O)[O-])ccc2ccccc21)[C@@H]1CCCO1 ZINC001592434358 978074309 /nfs/dbraw/zinc/07/43/09/978074309.db2.gz XXCQWEYQWBQNCL-WBMJQRKESA-N -1 0 328.364 3.649 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-] ZINC001592466341 978212617 /nfs/dbraw/zinc/21/26/17/978212617.db2.gz WQPDRLXWZPFMPN-PBHICJAKSA-N -1 0 349.446 3.792 20 0 EHADRM C[C@@H](CCC(C)(C)C)C(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC001592478195 978249664 /nfs/dbraw/zinc/24/96/64/978249664.db2.gz QNXDPWPDMHYYGK-HZMBPMFUSA-N -1 0 327.371 3.669 20 0 EHADRM C[C@@H](NC(=O)CC1(CC(=O)[O-])CCCC1)c1nc2ccccc2s1 ZINC000734158506 978300744 /nfs/dbraw/zinc/30/07/44/978300744.db2.gz OEFMSTUTNNPFOU-GFCCVEGCSA-N -1 0 346.452 3.899 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCCN(C)C(=O)[O-] ZINC000736719550 978352545 /nfs/dbraw/zinc/35/25/45/978352545.db2.gz WWROKAZGYZTYJN-JTQLQIEISA-N -1 0 347.242 3.903 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@@H](C)Cc1ccccc1F)c1ccccc1 ZINC000736850369 978361765 /nfs/dbraw/zinc/36/17/65/978361765.db2.gz WDUAVELPVHCAMM-KSSFIOAISA-N -1 0 343.398 3.901 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)(C)C ZINC000736927784 978366975 /nfs/dbraw/zinc/36/69/75/978366975.db2.gz FSYZSCOMOYZEOR-HOCLYGCPSA-N -1 0 335.444 3.583 20 0 EHADRM C[C@H](CN(C)C(=O)CCCCc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001592567940 978459994 /nfs/dbraw/zinc/45/99/94/978459994.db2.gz CSFCHOWGCMQKTE-OAHLLOKOSA-N -1 0 333.472 3.876 20 0 EHADRM Cc1cc(C)cc([C@H](C)NC(=O)Nc2ccc(CC(=O)[O-])cc2)c1 ZINC000738363087 978523610 /nfs/dbraw/zinc/52/36/10/978523610.db2.gz BVUVVJFVSHKMJI-AWEZNQCLSA-N -1 0 326.396 3.813 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)c1sccc1C1CC1)C(=O)[O-] ZINC001592604665 978546081 /nfs/dbraw/zinc/54/60/81/978546081.db2.gz LDBNCVJVVBTXEQ-CYBMUJFWSA-N -1 0 343.448 3.989 20 0 EHADRM CC(C)c1ccc(O[C@H](C)CNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC001592648070 978630045 /nfs/dbraw/zinc/63/00/45/978630045.db2.gz XJDQUMZJAXKNRR-OIISXLGYSA-N -1 0 347.455 3.585 20 0 EHADRM COc1cccc2cc(CN[C@@H](C(=O)[O-])c3cc(F)ccc3F)oc21 ZINC000756358728 978698864 /nfs/dbraw/zinc/69/88/64/978698864.db2.gz CLCMGQUECBNHSM-MRXNPFEDSA-N -1 0 347.317 3.635 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCc2ccc3[nH]ccc3c2)cc1F ZINC000761746278 978715134 /nfs/dbraw/zinc/71/51/34/978715134.db2.gz QDOQRBYTEWTAEX-UHFFFAOYSA-N -1 0 326.327 3.577 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000761745774 978715196 /nfs/dbraw/zinc/71/51/96/978715196.db2.gz LHLKDTPNQMMRPO-JTQLQIEISA-N -1 0 335.762 3.995 20 0 EHADRM CC(C)(C)c1ncc(/C=C\C(=O)Nc2ccc(C(=O)[O-])cc2)s1 ZINC000766859452 978727694 /nfs/dbraw/zinc/72/76/94/978727694.db2.gz ZIYVWYAOEVUINY-HJWRWDBZSA-N -1 0 330.409 3.791 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)CCCCCC(C)C)c1OC ZINC000767048664 978732202 /nfs/dbraw/zinc/73/22/02/978732202.db2.gz OQOWEQDYKZBQCT-UHFFFAOYSA-N -1 0 337.416 3.947 20 0 EHADRM C[C@@]1(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CCCc2ccccc21 ZINC000767095000 978734331 /nfs/dbraw/zinc/73/43/31/978734331.db2.gz CDXGIZNYGBWFTE-LJQANCHMSA-N -1 0 327.355 3.757 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)/C=C/c1ccccc1Cl ZINC000767125585 978735481 /nfs/dbraw/zinc/73/54/81/978735481.db2.gz SRKVPQSTTVTDNM-RMKNXTFCSA-N -1 0 345.782 3.764 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000769463154 978741168 /nfs/dbraw/zinc/74/11/68/978741168.db2.gz XBGNVBBJTMCQHJ-NSHDSACASA-N -1 0 340.404 3.556 20 0 EHADRM C/C(=C/C(=O)NCc1cccc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC000776209140 978748293 /nfs/dbraw/zinc/74/82/93/978748293.db2.gz OPZYUSRGOAQHHZ-WQLSENKSSA-N -1 0 329.783 3.758 20 0 EHADRM Cc1cc(C)c(/C=C/C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1C ZINC000777364884 978776906 /nfs/dbraw/zinc/77/69/06/978776906.db2.gz FWQVMAAMEJRNTJ-IBDYFIJFSA-N -1 0 349.430 3.836 20 0 EHADRM Cc1cc2[nH]c(C(=O)N3CCC[C@@H](C(C)(C)C(=O)[O-])C3)cc2c(C)c1 ZINC000777397397 978780541 /nfs/dbraw/zinc/78/05/41/978780541.db2.gz LEQAHILEHKCPPB-CQSZACIVSA-N -1 0 342.439 3.748 20 0 EHADRM CCC(CC)(NC(=O)/C=C(/C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000808520288 978853080 /nfs/dbraw/zinc/85/30/80/978853080.db2.gz PGJSDPGMPWPJOP-KHPPLWFESA-N -1 0 343.345 3.868 20 0 EHADRM Cc1ccc(O[C@H](C)CNC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000811816035 978860091 /nfs/dbraw/zinc/86/00/91/978860091.db2.gz JJPSYWJBMMMEHT-GFCCVEGCSA-N -1 0 347.798 3.544 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N(CCC(F)(F)F)CC2CC2)c1 ZINC000811821717 978866715 /nfs/dbraw/zinc/86/67/15/978866715.db2.gz OGRRFVUUBZFTRP-UHFFFAOYSA-N -1 0 349.736 3.843 20 0 EHADRM CSCc1cc(C(=O)OCc2cc(C(=O)[O-])c(C)o2)ccc1F ZINC000832766581 979048886 /nfs/dbraw/zinc/04/88/86/979048886.db2.gz GTVLROZMSBHNBC-UHFFFAOYSA-N -1 0 338.356 3.645 20 0 EHADRM CC[C@H](C)n1nc(C(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)cc1C ZINC001595021639 979097958 /nfs/dbraw/zinc/09/79/58/979097958.db2.gz BLHDUJNJSGMDMH-LBPRGKRZSA-N -1 0 344.411 3.744 20 0 EHADRM CC[C@H](C)n1nc(NCc2cc(C(=O)[O-])c3n2CCCC3)cc1C ZINC001595023678 979118259 /nfs/dbraw/zinc/11/82/59/979118259.db2.gz KVPJZVRXHFBTCL-LBPRGKRZSA-N -1 0 330.432 3.611 20 0 EHADRM CC[C@@H](C)n1ncc(N[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])c1C ZINC001595026365 979135434 /nfs/dbraw/zinc/13/54/34/979135434.db2.gz HJVKLJZWCURWBL-IAQYHMDHSA-N -1 0 335.835 3.924 20 0 EHADRM CC[C@@H](CC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)c1ccc(C)cc1 ZINC001595033901 979178928 /nfs/dbraw/zinc/17/89/28/979178928.db2.gz SWXNNYSLEQEHOX-KNBMTAEXSA-N -1 0 329.440 3.592 20 0 EHADRM CC[C@H](CC(=O)N1CCOc2c(cccc2C(=O)[O-])C1)C(C)(C)C ZINC001595034026 979180290 /nfs/dbraw/zinc/18/02/90/979180290.db2.gz XJJCGDJMGUOSOY-CQSZACIVSA-N -1 0 333.428 3.568 20 0 EHADRM CC[C@H](CC(=O)NCc1ccccc1CC(=O)[O-])c1ccccc1 ZINC001595036366 979193906 /nfs/dbraw/zinc/19/39/06/979193906.db2.gz BRZMBOOBWFUSLP-OAHLLOKOSA-N -1 0 325.408 3.514 20 0 EHADRM CC[C@@H](CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])C(C)(C)C ZINC001595037215 979203785 /nfs/dbraw/zinc/20/37/85/979203785.db2.gz UBEWALRBOSHRRT-YOEHRIQHSA-N -1 0 344.455 3.742 20 0 EHADRM CCC(CC)(C(=O)NCc1ccccc1C(=O)[O-])c1ccccc1 ZINC001595041410 979224172 /nfs/dbraw/zinc/22/41/72/979224172.db2.gz MKZHJNNQBJANPT-UHFFFAOYSA-N -1 0 325.408 3.759 20 0 EHADRM CC[C@@H](CC(F)F)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC001595042465 979235305 /nfs/dbraw/zinc/23/53/05/979235305.db2.gz MNITYZKYJDTCKR-CABZTGNLSA-N -1 0 333.762 3.653 20 0 EHADRM CC[C@H](CC(F)(F)F)NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001595042846 979239571 /nfs/dbraw/zinc/23/95/71/979239571.db2.gz WHQOIJRAUPARJM-SECBINFHSA-N -1 0 338.713 3.891 20 0 EHADRM O=C([O-])c1occc1CNc1ccc2oc(C(F)(F)F)nc2c1 ZINC000833785027 979241457 /nfs/dbraw/zinc/24/14/57/979241457.db2.gz BEWAEOYVILEHOD-UHFFFAOYSA-N -1 0 326.230 3.750 20 0 EHADRM CCc1c(C(=O)Nc2ccc(C(=O)[O-])cc2)cnn1C(CC)CC ZINC000836717817 979248573 /nfs/dbraw/zinc/24/85/73/979248573.db2.gz HWZDUEMEVZWXPH-UHFFFAOYSA-N -1 0 329.400 3.757 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1cccc(N(C)C(C)C)c1 ZINC001595049866 979276320 /nfs/dbraw/zinc/27/63/20/979276320.db2.gz HWSMRSYQHLIIOF-UHFFFAOYSA-N -1 0 335.448 3.686 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1cccc(Br)c1 ZINC001595050346 979278109 /nfs/dbraw/zinc/27/81/09/979278109.db2.gz PVIHRXNMYVHEFO-UHFFFAOYSA-N -1 0 343.221 3.604 20 0 EHADRM Cc1cc(NCc2cccc(C(=O)[O-])c2)ccc1N1CCSCC1 ZINC000840994471 979292513 /nfs/dbraw/zinc/29/25/13/979292513.db2.gz KDAMTUPIYITJMX-UHFFFAOYSA-N -1 0 342.464 3.859 20 0 EHADRM O=C([O-])c1cc(NC(=O)Cc2ccsc2)ccc1N1CCCCC1 ZINC000841503267 979306110 /nfs/dbraw/zinc/30/61/10/979306110.db2.gz OCSLSKHJKWKETG-UHFFFAOYSA-N -1 0 344.436 3.618 20 0 EHADRM Cc1cccc(Oc2ccc(NC(=O)CCCC(=O)[O-])cn2)c1C ZINC000843339513 979341893 /nfs/dbraw/zinc/34/18/93/979341893.db2.gz YWDIGOPGBYCFAN-UHFFFAOYSA-N -1 0 328.368 3.684 20 0 EHADRM CCC(CC)(CNC(=O)c1cccc(SC(F)(F)F)c1)C(=O)[O-] ZINC001595075111 979348201 /nfs/dbraw/zinc/34/82/01/979348201.db2.gz CGTKLWKCGNLDPG-UHFFFAOYSA-N -1 0 349.374 3.919 20 0 EHADRM C[C@@](COC(=O)CC[C@H]1CC1(Cl)Cl)(C(=O)[O-])c1ccccc1 ZINC001592764436 979366377 /nfs/dbraw/zinc/36/63/77/979366377.db2.gz KRKICXVHQUJHIE-WFASDCNBSA-N -1 0 345.222 3.546 20 0 EHADRM C[C@@](COC(=O)CCCc1ccsc1)(C(=O)[O-])c1ccccc1 ZINC001592764359 979366417 /nfs/dbraw/zinc/36/64/17/979366417.db2.gz JKXQQTMUZFNMGO-SFHVURJKSA-N -1 0 332.421 3.657 20 0 EHADRM O=C([O-])CCCC(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000844247250 979391737 /nfs/dbraw/zinc/39/17/37/979391737.db2.gz GOZZFTRAAJIYLL-CYBMUJFWSA-N -1 0 329.318 3.624 20 0 EHADRM CCC(CC)(NC(=O)c1cccc(NCC(C)(C)C)c1C)C(=O)[O-] ZINC001595097770 979395329 /nfs/dbraw/zinc/39/53/29/979395329.db2.gz OAJHVUIHZCTVIR-UHFFFAOYSA-N -1 0 334.460 3.826 20 0 EHADRM C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)CCCC(=O)[O-] ZINC000844254312 979395431 /nfs/dbraw/zinc/39/54/31/979395431.db2.gz PZJNDSACTLEXLX-SECBINFHSA-N -1 0 330.211 3.694 20 0 EHADRM O=C([O-])CCCCCCNC(=O)C1(c2ccccc2Cl)CCC1 ZINC000846115424 979404860 /nfs/dbraw/zinc/40/48/60/979404860.db2.gz WFLIUONRSQOMFM-UHFFFAOYSA-N -1 0 337.847 3.913 20 0 EHADRM O=C([O-])Cc1ccccc1CN1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000846251100 979425931 /nfs/dbraw/zinc/42/59/31/979425931.db2.gz BSNLSKVDPVPJCP-SFHVURJKSA-N -1 0 345.826 3.541 20 0 EHADRM CCC(CC)[C@H](NC(=O)Nc1ccc(C(=O)[O-])nn1)c1cccs1 ZINC001595109773 979447247 /nfs/dbraw/zinc/44/72/47/979447247.db2.gz MEECBDHHBDNZKV-AWEZNQCLSA-N -1 0 348.428 3.535 20 0 EHADRM COc1ccc([C@@H](NC(=O)c2ccc(/C=C\C(=O)[O-])o2)C(C)C)cc1 ZINC000851593068 979501696 /nfs/dbraw/zinc/50/16/96/979501696.db2.gz LBSJAHCWWRYXDN-FYGXRCCRSA-N -1 0 343.379 3.513 20 0 EHADRM COc1ccc([C@H](NC(=O)c2ccc(/C=C/C(=O)[O-])o2)C(C)C)cc1 ZINC000851593070 979502746 /nfs/dbraw/zinc/50/27/46/979502746.db2.gz LBSJAHCWWRYXDN-SXAWMYDMSA-N -1 0 343.379 3.513 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(/C=C\C(=O)[O-])o1)C(C)(C)c1ccccc1 ZINC000851597288 979512947 /nfs/dbraw/zinc/51/29/47/979512947.db2.gz WTPFLAPTYGAJGX-QAAVPBIRSA-N -1 0 341.407 3.864 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC001595126112 979514973 /nfs/dbraw/zinc/51/49/73/979514973.db2.gz QRINXLQRJYKGBZ-RHSMWYFYSA-N -1 0 335.419 3.983 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001595126525 979518145 /nfs/dbraw/zinc/51/81/45/979518145.db2.gz WHDMZDQHOJPNRF-LBPRGKRZSA-N -1 0 329.400 3.806 20 0 EHADRM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851600101 979518548 /nfs/dbraw/zinc/51/85/48/979518548.db2.gz CECOEBOTJQFJKV-XZPUFVBZSA-N -1 0 343.354 3.535 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851603206 979525296 /nfs/dbraw/zinc/52/52/96/979525296.db2.gz LMGDJTIZQHJUSV-MCTUQULKSA-N -1 0 343.354 3.665 20 0 EHADRM CC(C)c1ccc(C[C@H](C)NC(=O)c2ccc(/C=C\C(=O)[O-])o2)cc1 ZINC000851604425 979527939 /nfs/dbraw/zinc/52/79/39/979527939.db2.gz XRVRPCRMNUPNDA-FPAJZGIOSA-N -1 0 341.407 3.862 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)o1 ZINC000851607897 979533783 /nfs/dbraw/zinc/53/37/83/979533783.db2.gz VGLSZAOBUGFXON-HRNUACCPSA-N -1 0 343.354 3.583 20 0 EHADRM C[C@H](CSCc1ccccc1)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001592826184 979548589 /nfs/dbraw/zinc/54/85/89/979548589.db2.gz VQZRLLDXXPAKPY-OAHLLOKOSA-N -1 0 349.496 3.707 20 0 EHADRM C[C@H](CSc1ccccc1)N(C)C(=O)c1cccc(CC(=O)[O-])c1 ZINC001592832686 979565283 /nfs/dbraw/zinc/56/52/83/979565283.db2.gz SSKGMBMLFNOQEK-CQSZACIVSA-N -1 0 343.448 3.567 20 0 EHADRM CC[C@](CNC(=O)C1(C2CCC2)CCC1)(C(=O)[O-])c1ccccc1 ZINC001595138672 979582257 /nfs/dbraw/zinc/58/22/57/979582257.db2.gz LVEGWUPGCWQPGO-LJQANCHMSA-N -1 0 329.440 3.506 20 0 EHADRM CC[C@H](CNC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1)c1ccccc1 ZINC001595145441 979612622 /nfs/dbraw/zinc/61/26/22/979612622.db2.gz GBYAQHPKAYOZCX-CQSZACIVSA-N -1 0 344.411 3.621 20 0 EHADRM CC(C)(CCN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1)C(=O)[O-] ZINC000859784059 979629667 /nfs/dbraw/zinc/62/96/67/979629667.db2.gz KDOBOGNCIRPXQR-AWEZNQCLSA-N -1 0 346.254 3.868 20 0 EHADRM CC[C@@H](CNC(=O)Nc1cc(C(=O)[O-])cnc1Cl)c1ccccc1 ZINC001595152255 979646840 /nfs/dbraw/zinc/64/68/40/979646840.db2.gz JCKNVVPMMLYCBQ-NSHDSACASA-N -1 0 347.802 3.749 20 0 EHADRM CC[C@@](CNC(=O)Nc1ccc(F)cc1F)(C(=O)[O-])c1ccccc1 ZINC001595154258 979659113 /nfs/dbraw/zinc/65/91/13/979659113.db2.gz LBNVVBGPNIJUMQ-SFHVURJKSA-N -1 0 348.349 3.519 20 0 EHADRM Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1C(=O)[O-] ZINC000864100520 979683851 /nfs/dbraw/zinc/68/38/51/979683851.db2.gz QIVWYZXVUCAWGX-UHFFFAOYSA-N -1 0 337.419 3.788 20 0 EHADRM O=C([O-])c1coc(/C=C\C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)c1 ZINC000864105639 979693224 /nfs/dbraw/zinc/69/32/24/979693224.db2.gz JRLDBJSZGWKSMS-IQBZNYMQSA-N -1 0 337.375 3.670 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N(Cc2ccc(F)cc2)CC2CC2)o1 ZINC000864111273 979701287 /nfs/dbraw/zinc/70/12/87/979701287.db2.gz YLKQFNBIZXBCDF-CSKARUKUSA-N -1 0 343.354 3.569 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)/C=C/c2cc(C(=O)[O-])co2)C1 ZINC000864111684 979702308 /nfs/dbraw/zinc/70/23/08/979702308.db2.gz LJFHONWBJJLJEI-FHFZEBMASA-N -1 0 339.391 3.704 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N2CCC(C3CCC3)CC2)cc1)C(=O)[O-] ZINC001592861848 979703379 /nfs/dbraw/zinc/70/33/79/979703379.db2.gz YLYRTNNPBYGURA-CQSZACIVSA-N -1 0 344.455 3.994 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2cc(F)c(F)c(F)c2)cc1)C(=O)[O-] ZINC001592873780 979737444 /nfs/dbraw/zinc/73/74/44/979737444.db2.gz ZQDQXLKHGAHYTI-SECBINFHSA-N -1 0 337.297 3.619 20 0 EHADRM COc1cc(C)cc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c1C ZINC000864135065 979737617 /nfs/dbraw/zinc/73/76/17/979737617.db2.gz HTUYZDSQUHWTDU-UHFFFAOYSA-N -1 0 327.380 3.879 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@@H](c3c(F)cccc3F)C2)cc1C(=O)[O-] ZINC000864143354 979749049 /nfs/dbraw/zinc/74/90/49/979749049.db2.gz IWHHSCBNVOAEGD-CYBMUJFWSA-N -1 0 345.345 3.601 20 0 EHADRM C[C@](Cc1ccccc1)(NC(=O)/C=C/c1cc(C(=O)[O-])co1)C1CC1 ZINC000864153713 979764181 /nfs/dbraw/zinc/76/41/81/979764181.db2.gz HAXFOAJONJVSBA-SQUSKLHYSA-N -1 0 339.391 3.519 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001592885765 979770883 /nfs/dbraw/zinc/77/08/83/979770883.db2.gz RUEMTVFIDDDFSH-SNVBAGLBSA-N -1 0 335.762 3.995 20 0 EHADRM CC(C)CN(Cc1ccccc1F)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000864159687 979774957 /nfs/dbraw/zinc/77/49/57/979774957.db2.gz YNTCHFKPYFUHLE-NTMALXAHSA-N -1 0 345.370 3.815 20 0 EHADRM Cc1cc2occ(CC(=O)N[C@H]3CC=C(C(=O)[O-])C3)c2cc1C(C)C ZINC000864162874 979781132 /nfs/dbraw/zinc/78/11/32/979781132.db2.gz ODURGSVBSLLQIJ-HNNXBMFYSA-N -1 0 341.407 3.697 20 0 EHADRM CSc1cc(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)c(Cl)cc1Cl ZINC000864164161 979785809 /nfs/dbraw/zinc/78/58/09/979785809.db2.gz DHNSHKAQVSSBFS-MRVPVSSYSA-N -1 0 346.235 3.619 20 0 EHADRM C[C@H](Cc1ccsc1)N(C)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001592906535 979846886 /nfs/dbraw/zinc/84/68/86/979846886.db2.gz NLHIKHZQWQLGOI-CYBMUJFWSA-N -1 0 346.452 3.860 20 0 EHADRM C[C@H](Cc1cncc2ccccc21)C(=O)Oc1cccc(C(=O)[O-])c1 ZINC001592908527 979863597 /nfs/dbraw/zinc/86/35/97/979863597.db2.gz BPEPAYVCWKBCNU-CYBMUJFWSA-N -1 0 335.359 3.717 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)CCSc1ccccc1Cl)C1CC1 ZINC000864197693 979865625 /nfs/dbraw/zinc/86/56/25/979865625.db2.gz JRKYWQSLXOHKAU-MRXNPFEDSA-N -1 0 341.860 3.582 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N[C@@H]2CC=CC[C@H]2C(F)(F)F)c1 ZINC000864220228 979908172 /nfs/dbraw/zinc/90/81/72/979908172.db2.gz AFECKLFNYWYGCW-ZYHUDNBSSA-N -1 0 347.720 3.665 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2CCCc3ccccc32)c1 ZINC000864228409 979919864 /nfs/dbraw/zinc/91/98/64/979919864.db2.gz DAGLEHPLPZMCBE-RTBURBONSA-N -1 0 337.419 3.747 20 0 EHADRM CCc1ccc(F)cc1C(=O)N[C@H](CC(=O)[O-])c1cccc(C)c1 ZINC000864231379 979929763 /nfs/dbraw/zinc/92/97/63/979929763.db2.gz HLBFEMXPXKCTER-QGZVFWFLSA-N -1 0 329.371 3.642 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)NCc1ccccc1F ZINC000579803296 1014616531 /nfs/dbraw/zinc/61/65/31/1014616531.db2.gz RSCHYEGPWSRDPO-QGZVFWFLSA-N -1 0 344.386 3.573 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC001595210341 979983393 /nfs/dbraw/zinc/98/33/93/979983393.db2.gz DEUAATAWPBIMOS-MRXNPFEDSA-N -1 0 337.419 3.538 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(CC)C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001595213389 980006304 /nfs/dbraw/zinc/00/63/04/980006304.db2.gz QMDAMZDCVKWZCJ-DVQDXYAYSA-N -1 0 341.407 3.861 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)Nc1ncc(C(=O)[O-])cc1Cl ZINC001595219470 980039760 /nfs/dbraw/zinc/03/97/60/980039760.db2.gz OYMRHNROIPYWRV-LBPRGKRZSA-N -1 0 346.814 3.949 20 0 EHADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)Nc2ccccc2-c2ccccc2)O1 ZINC000872699950 980078493 /nfs/dbraw/zinc/07/84/93/980078493.db2.gz YOTUHGXSFNWNRJ-MAUKXSAKSA-N -1 0 339.391 3.705 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2sccc2C(F)F)CCCCC1 ZINC000872718086 980098800 /nfs/dbraw/zinc/09/88/00/980098800.db2.gz HFOSOXOMUPIYGR-UHFFFAOYSA-N -1 0 331.384 3.841 20 0 EHADRM COc1ccc2c(c1)CC[C@H]2C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000872731254 980123560 /nfs/dbraw/zinc/12/35/60/980123560.db2.gz ZMBLWOMRLATMFZ-KZULUSFZSA-N -1 0 339.391 3.552 20 0 EHADRM CC[C@@](NC(=O)[C@H]1CCC(F)(F)C1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595237095 980141955 /nfs/dbraw/zinc/14/19/55/980141955.db2.gz WZNXJZBAYORTTQ-QFYYESIMSA-N -1 0 345.773 3.582 20 0 EHADRM CC[C@@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1cccc(Cl)c1 ZINC001595237439 980145790 /nfs/dbraw/zinc/14/57/90/980145790.db2.gz HLPZPYZAKOCEGB-IUCKJTJTSA-N -1 0 333.771 3.912 20 0 EHADRM CC[C@H](NC(=O)CNc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001595242411 980164160 /nfs/dbraw/zinc/16/41/60/980164160.db2.gz DUKUGPHQFVPJEW-INIZCTEOSA-N -1 0 346.814 3.718 20 0 EHADRM CC[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C)c1cccc2ccccc21 ZINC001595246582 980184674 /nfs/dbraw/zinc/18/46/74/980184674.db2.gz BGLLXLOUWSOBMR-JOQOYGCGSA-N -1 0 340.423 3.796 20 0 EHADRM CC[C@H](NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1cc(C)ccc1C ZINC001595247287 980189834 /nfs/dbraw/zinc/18/98/34/980189834.db2.gz KWLIMINPPMCRKE-IRXDYDNUSA-N -1 0 344.455 3.651 20 0 EHADRM C[C@H](NC(=O)C1(C2CCCCC2)CC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001592993511 980195146 /nfs/dbraw/zinc/19/51/46/980195146.db2.gz DSFAEBJUYCTTDC-MAUKXSAKSA-N -1 0 343.467 3.795 20 0 EHADRM CC[C@@H](NC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)c1cc(C)ccc1C ZINC001595248587 980198694 /nfs/dbraw/zinc/19/86/94/980198694.db2.gz ACGGFVZWEFYTON-VPWXQRGCSA-N -1 0 344.455 3.651 20 0 EHADRM C[C@@](NC(=O)CCc1cccc2ccccc21)(C(=O)[O-])c1ccccc1 ZINC001593019753 980273732 /nfs/dbraw/zinc/27/37/32/980273732.db2.gz HRWDLVXAFHHPDG-QFIPXVFZSA-N -1 0 347.414 3.889 20 0 EHADRM CC[C@@](NC(=O)c1cc(F)ccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001595265296 980274442 /nfs/dbraw/zinc/27/44/42/980274442.db2.gz NZFDGUGUGLWCHI-KRWDZBQOSA-N -1 0 335.762 3.599 20 0 EHADRM C[C@H](NC(=O)CSCc1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001593035964 980310472 /nfs/dbraw/zinc/31/04/72/980310472.db2.gz BPZWGHOETBUXAY-LBPRGKRZSA-N -1 0 347.411 3.635 20 0 EHADRM CC[C@](NCc1nc(C)sc1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595304897 980441234 /nfs/dbraw/zinc/44/12/34/980441234.db2.gz BASWCQNKLYLIBW-MRXNPFEDSA-N -1 0 338.860 3.893 20 0 EHADRM Cc1cnc(CN[C@](C)(C(=O)[O-])c2ccc(Cl)c(Cl)c2)s1 ZINC000901745655 980475275 /nfs/dbraw/zinc/47/52/75/980475275.db2.gz BUWSXWQXDZLHSS-AWEZNQCLSA-N -1 0 345.251 3.848 20 0 EHADRM COC1CCC(Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)CC1 ZINC000901775573 980506342 /nfs/dbraw/zinc/50/63/42/980506342.db2.gz RRGWDQKEYGEDGY-UHFFFAOYSA-N -1 0 332.444 3.745 20 0 EHADRM CC[C@H](OC(=O)Cc1c2ccc(C)cc2oc1C(C)=O)[C@H](C)C(=O)[O-] ZINC001595339601 980613374 /nfs/dbraw/zinc/61/33/74/980613374.db2.gz DIVCPDIRMFLYLV-NHYWBVRUSA-N -1 0 346.379 3.529 20 0 EHADRM Cc1cc(CNCc2ccccc2OC2CCCC2)oc1C(=O)[O-] ZINC000901942690 980642910 /nfs/dbraw/zinc/64/29/10/980642910.db2.gz NCFRSPGYAPPURN-UHFFFAOYSA-N -1 0 329.396 3.897 20 0 EHADRM CC[C@@H](OC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC001595351396 980656649 /nfs/dbraw/zinc/65/66/49/980656649.db2.gz CMNHLLADEUZQQW-OAHLLOKOSA-N -1 0 346.766 3.591 20 0 EHADRM CC[C@H](OC(=O)c1ccc(Oc2ccncc2)c(Cl)c1)C(=O)[O-] ZINC001595351669 980659679 /nfs/dbraw/zinc/65/96/79/980659679.db2.gz JCBGCBKJXOMDSS-ZDUSSCGKSA-N -1 0 335.743 3.547 20 0 EHADRM O=C([O-])CC1(NC(=O)c2sc3cccc(F)c3c2Cl)CCC1 ZINC000902003146 980681836 /nfs/dbraw/zinc/68/18/36/980681836.db2.gz GCBAZPUSNRVBFH-UHFFFAOYSA-N -1 0 341.791 3.821 20 0 EHADRM CC[C@@H](OC(=O)c1cncc(C(=O)[O-])c1)c1c(F)cccc1Cl ZINC001595354046 980688407 /nfs/dbraw/zinc/68/84/07/980688407.db2.gz ZAHRPRIRLDTXJD-CYBMUJFWSA-N -1 0 337.734 3.880 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)O[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001595355618 980703699 /nfs/dbraw/zinc/70/36/99/980703699.db2.gz GKKUIGRHRGHCDZ-HUUCEWRRSA-N -1 0 340.803 3.747 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)NC1(CCC(=O)[O-])CCCCC1 ZINC001595355918 980707327 /nfs/dbraw/zinc/70/73/27/980707327.db2.gz RHGBUAQYZWLQPY-INIZCTEOSA-N -1 0 339.476 3.798 20 0 EHADRM C[C@H](Nc1cccc(NC(=O)c2cccs2)c1)[C@@H]1C[C@H]1C(=O)[O-] ZINC000902092603 980729176 /nfs/dbraw/zinc/72/91/76/980729176.db2.gz XJGYWOPQAZJIEV-LEWSCRJBSA-N -1 0 330.409 3.522 20 0 EHADRM COc1ccc(N[C@H]2CCC[C@@H](CCCC(=O)[O-])C2)cc1NC(C)=O ZINC000902094548 980730726 /nfs/dbraw/zinc/73/07/26/980730726.db2.gz PCBJHDMBWJCIHC-GJZGRUSLSA-N -1 0 348.443 3.879 20 0 EHADRM CC[C@@H](SC)C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001595358940 980736974 /nfs/dbraw/zinc/73/69/74/980736974.db2.gz VLMIZQWRPHOLPC-MNOVXSKESA-N -1 0 337.224 3.804 20 0 EHADRM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001595359547 980742208 /nfs/dbraw/zinc/74/22/08/980742208.db2.gz DFKWRSXTKHNEKV-RCCFBDPRSA-N -1 0 342.439 3.528 20 0 EHADRM CC[C@@H](c1ccc(F)cc1)S(=O)(=O)Cc1ccccc1C(=O)[O-] ZINC001595359869 980745973 /nfs/dbraw/zinc/74/59/73/980745973.db2.gz MFKDTOGODUCPGV-INIZCTEOSA-N -1 0 336.384 3.590 20 0 EHADRM O=C([O-])/C=C/c1ccc(CNc2ccc(N3CCCC3)c(F)c2)o1 ZINC000902154603 980760629 /nfs/dbraw/zinc/76/06/29/980760629.db2.gz VROARMLEEDHUJA-SOFGYWHQSA-N -1 0 330.359 3.729 20 0 EHADRM O=C([O-])CCCCC(=O)N1c2ccccc2C[C@H]1Cc1ccccc1 ZINC000902195087 980777696 /nfs/dbraw/zinc/77/76/96/980777696.db2.gz FEQPZBXAZMPJPQ-GOSISDBHSA-N -1 0 337.419 3.832 20 0 EHADRM CCC1(C(=O)N2CCc3c2cccc3C(=O)[O-])CCC(F)(F)CC1 ZINC001595364943 980798969 /nfs/dbraw/zinc/79/89/69/980798969.db2.gz DFBMRSSGWKKDQK-UHFFFAOYSA-N -1 0 337.366 3.880 20 0 EHADRM CC(=O)N(Cc1ccc(NCc2csc(C(=O)[O-])c2)cc1)C(C)C ZINC000902282245 980815447 /nfs/dbraw/zinc/81/54/47/980815447.db2.gz PTNMRMALFAGTMM-UHFFFAOYSA-N -1 0 346.452 3.815 20 0 EHADRM CC[C@@]1(C)CN(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CCO1 ZINC001595370859 980845001 /nfs/dbraw/zinc/84/50/01/980845001.db2.gz SXHSTQYKQJNYTB-IBGZPJMESA-N -1 0 342.395 3.571 20 0 EHADRM O=C([O-])COc1ccc(CNc2cccc(C3CCOCC3)c2)cc1 ZINC000902396028 980869310 /nfs/dbraw/zinc/86/93/10/980869310.db2.gz FEHWWRNEMJIHAB-UHFFFAOYSA-N -1 0 341.407 3.656 20 0 EHADRM CC[C@@]1(CCc2ccccc2)CCCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001595377012 980910127 /nfs/dbraw/zinc/91/01/27/980910127.db2.gz WRDQQSRYFOAVKC-UEXGIBASSA-N -1 0 343.467 3.891 20 0 EHADRM CCC1(CNC(=O)Nc2ccc(C(=O)[O-])c(OC)c2)CCCCC1 ZINC001595378936 980916130 /nfs/dbraw/zinc/91/61/30/980916130.db2.gz QKMBYBTYKCHNCM-UHFFFAOYSA-N -1 0 334.416 3.875 20 0 EHADRM CSc1ccc(N[C@@H]2CCO[C@H](C(F)(F)F)C2)cc1C(=O)[O-] ZINC000902570086 980938033 /nfs/dbraw/zinc/93/80/33/980938033.db2.gz NCEUYLOMXJPGAX-SKDRFNHKSA-N -1 0 335.347 3.629 20 0 EHADRM CSc1ccc(N[C@H]2CCO[C@@H](C(F)(F)F)C2)cc1C(=O)[O-] ZINC000902570085 980938040 /nfs/dbraw/zinc/93/80/40/980938040.db2.gz NCEUYLOMXJPGAX-JOYOIKCWSA-N -1 0 335.347 3.629 20 0 EHADRM CSc1ccc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1C(=O)[O-] ZINC000902571272 980938796 /nfs/dbraw/zinc/93/87/96/980938796.db2.gz VRXPWZJQNMMGDS-MAZHCROVSA-N -1 0 333.453 3.866 20 0 EHADRM CCC1(NC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])CCCCC1 ZINC001595391087 980948469 /nfs/dbraw/zinc/94/84/69/980948469.db2.gz VZERUGNYZUMBSV-UHFFFAOYSA-N -1 0 328.412 3.638 20 0 EHADRM CC[C@@H]1[C@H](C)CCN1C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001595404974 980984313 /nfs/dbraw/zinc/98/43/13/980984313.db2.gz NQHOHADAGLLPKE-BMFZPTHFSA-N -1 0 332.444 3.669 20 0 EHADRM CC[C@@H]1C[C@H](CC(=O)O[C@H](C(=O)[O-])c2ccccc2Cl)CCO1 ZINC001595413861 981017613 /nfs/dbraw/zinc/01/76/13/981017613.db2.gz UCJVRVOLCNOLGA-HSMVNMDESA-N -1 0 340.803 3.604 20 0 EHADRM CC[C@@H]1C[C@@H](CC(=O)OCc2cccc(C(=O)[O-])c2Cl)CCO1 ZINC001595414202 981020384 /nfs/dbraw/zinc/02/03/84/981020384.db2.gz ZKWHJYNLKQEGMX-WCQYABFASA-N -1 0 340.803 3.677 20 0 EHADRM CCC1CCC(CNC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC001595416797 981033773 /nfs/dbraw/zinc/03/37/73/981033773.db2.gz YZCRVQHMJISKPA-RLFPARDHSA-N -1 0 329.440 3.578 20 0 EHADRM CC[C@H]1CC[C@H](C)N1C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001595416809 981033996 /nfs/dbraw/zinc/03/39/96/981033996.db2.gz ZIRRCOXWMJGYLC-JSGCOSHPSA-N -1 0 334.416 3.967 20 0 EHADRM CCC1CCC(NC(=O)c2cc(F)cc(Cl)c2)(C(=O)[O-])CC1 ZINC001595424572 981042677 /nfs/dbraw/zinc/04/26/77/981042677.db2.gz FBIABFJWGFRKFP-UHFFFAOYSA-N -1 0 327.783 3.633 20 0 EHADRM CC[C@H]1CCC[C@@H]1C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC001595435401 981064283 /nfs/dbraw/zinc/06/42/83/981064283.db2.gz JJFLWLXGVQNKOE-ONGXEEELSA-N -1 0 333.413 3.601 20 0 EHADRM CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001595443836 981083726 /nfs/dbraw/zinc/08/37/26/981083726.db2.gz CIUGLZDGTLKZFE-TZMCWYRMSA-N -1 0 333.432 3.541 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001595448077 981097330 /nfs/dbraw/zinc/09/73/30/981097330.db2.gz LSHWNCMJZZSZIT-PXAZEXFGSA-N -1 0 344.411 3.790 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(C)c(C)c1C(=O)[O-] ZINC001595448466 981099130 /nfs/dbraw/zinc/09/91/30/981099130.db2.gz QTPAJMZGJLAQKZ-ZBFHGGJFSA-N -1 0 333.428 3.926 20 0 EHADRM CCC(CC)n1ccc(CN[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)n1 ZINC000905380622 981101874 /nfs/dbraw/zinc/10/18/74/981101874.db2.gz MEGFONZZRMYFNW-GOSISDBHSA-N -1 0 329.444 3.777 20 0 EHADRM CC[C@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)C1 ZINC001595453860 981121920 /nfs/dbraw/zinc/12/19/20/981121920.db2.gz ZAUXNOPZKOTNHG-ZDUSSCGKSA-N -1 0 334.416 3.826 20 0 EHADRM CC[C@@H]1CCCc2sc(NC(=O)NCc3ccoc3C(=O)[O-])nc21 ZINC001595459946 981141189 /nfs/dbraw/zinc/14/11/89/981141189.db2.gz PHLSZZCVTJCSGU-SECBINFHSA-N -1 0 349.412 3.586 20 0 EHADRM CC[C@H]1CCCc2sc(NC(=O)NCC(C)(C)CC(=O)[O-])nc21 ZINC001595460049 981141805 /nfs/dbraw/zinc/14/18/05/981141805.db2.gz QSWVLWRAKSHJGU-JTQLQIEISA-N -1 0 339.461 3.595 20 0 EHADRM Cc1oc(CN[C@@H](C)c2cc(Cl)cc3c2OCC3)cc1C(=O)[O-] ZINC000905770123 981147504 /nfs/dbraw/zinc/14/75/04/981147504.db2.gz MVEBUJMCIOPYEU-VIFPVBQESA-N -1 0 335.787 3.725 20 0 EHADRM CC1=C(C)C[C@](C)(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)CC1 ZINC000907614830 981201051 /nfs/dbraw/zinc/20/10/51/981201051.db2.gz AZNKKIKYPSOPHP-YLJYHZDGSA-N -1 0 327.424 3.724 20 0 EHADRM CC[C@H]1CN(C(=O)c2oc(C(=O)[O-])cc2C)c2cccc(Cl)c2O1 ZINC001595481319 981201172 /nfs/dbraw/zinc/20/11/72/981201172.db2.gz VPWPKTXYHCMXTE-JTQLQIEISA-N -1 0 349.770 3.757 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)c1 ZINC000907681744 981206995 /nfs/dbraw/zinc/20/69/95/981206995.db2.gz PUNVYSYNHSCWGG-HPEXNQPKSA-N -1 0 345.345 3.895 20 0 EHADRM CC[C@H]1c2ccsc2CCN1C(=O)NCCCCCCC(=O)[O-] ZINC001595504852 981279819 /nfs/dbraw/zinc/27/98/19/981279819.db2.gz QKMAUJWIAHZCQD-AWEZNQCLSA-N -1 0 338.473 3.802 20 0 EHADRM CC/C=C\[C@H](OC(=O)CCc1nc(C)c(-c2ccccc2)o1)C(=O)[O-] ZINC001595513230 981302048 /nfs/dbraw/zinc/30/20/48/981302048.db2.gz DRYXBULCUCJHTR-HGZZYMOZSA-N -1 0 343.379 3.545 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)[C@@H]2CCCc3sccc32)CCC1 ZINC000908339037 981304502 /nfs/dbraw/zinc/30/45/02/981304502.db2.gz VHENDNITRCCKPG-CQSZACIVSA-N -1 0 335.469 3.709 20 0 EHADRM Cc1cccc2[nH]cc(CC(=O)NCCCCC3(C(=O)[O-])CCC3)c21 ZINC000908340199 981304572 /nfs/dbraw/zinc/30/45/72/981304572.db2.gz BSNUMJOPYUHKMG-UHFFFAOYSA-N -1 0 342.439 3.560 20 0 EHADRM COc1c(NC(=O)CC[C@@H](C)c2ccccc2)cccc1C(=O)[O-] ZINC000908500175 981318468 /nfs/dbraw/zinc/31/84/68/981318468.db2.gz HDPDWLUNXYVRCR-CYBMUJFWSA-N -1 0 327.380 3.916 20 0 EHADRM COc1c(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cccc1C(=O)[O-] ZINC000908506175 981319149 /nfs/dbraw/zinc/31/91/49/981319149.db2.gz ADAVIXFBBNFSAA-VHSXEESVSA-N -1 0 345.317 3.701 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3CCC[C@@]4(CC=CCC4)C3)(CC1)CC2 ZINC000908807735 981366075 /nfs/dbraw/zinc/36/60/75/981366075.db2.gz YZBRHAWCUMCZPJ-HDYDNRTBSA-N -1 0 331.456 3.761 20 0 EHADRM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000908832519 981370320 /nfs/dbraw/zinc/37/03/20/981370320.db2.gz GVNYZFHJCLFXLT-HLTSBHQESA-N -1 0 341.451 3.816 20 0 EHADRM CCC[C@H](C(=O)N1CCC[C@@](C)(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001595532184 981371158 /nfs/dbraw/zinc/37/11/58/981371158.db2.gz GLXALOCTWPVPEJ-MAUKXSAKSA-N -1 0 337.847 3.937 20 0 EHADRM CCC[C@H](C(=O)N[C@H](C(=O)[O-])C(C)(C)C)c1cccc(Cl)c1 ZINC001595535472 981377253 /nfs/dbraw/zinc/37/72/53/981377253.db2.gz CWZKGBUKAWOBAH-UONOGXRCSA-N -1 0 325.836 3.839 20 0 EHADRM CCC[C@](C)(NC(=O)c1ccc([C@H](C)C(F)(F)F)cc1)C(=O)[O-] ZINC000908867177 981380973 /nfs/dbraw/zinc/38/09/73/981380973.db2.gz PGOYWQLDJUAQIT-BONVTDFDSA-N -1 0 331.334 3.726 20 0 EHADRM CCC[C@@H](C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1)c1cccc(Cl)c1 ZINC001595536255 981381837 /nfs/dbraw/zinc/38/18/37/981381837.db2.gz UEPDOZFUUNBDKX-UHOFOFEASA-N -1 0 337.847 3.983 20 0 EHADRM CC(C)(C)c1ccc(CC(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000909063620 981409715 /nfs/dbraw/zinc/40/97/15/981409715.db2.gz YKONDJOILCYCDB-UHFFFAOYSA-N -1 0 325.408 3.792 20 0 EHADRM C[C@H](C(=O)NCCCCCCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000909147366 981427651 /nfs/dbraw/zinc/42/76/51/981427651.db2.gz RUCFDHLRDWWQEK-LBPRGKRZSA-N -1 0 345.361 3.960 20 0 EHADRM Cc1c2cccc(Cl)c2[nH]c1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000909158447 981428181 /nfs/dbraw/zinc/42/81/81/981428181.db2.gz ZPJQLRLLZAVIHD-UHFFFAOYSA-N -1 0 334.803 3.503 20 0 EHADRM CCC[C@](C)(NC(=O)c1nc(-c2ccccc2)oc1C(C)C)C(=O)[O-] ZINC001595553567 981430448 /nfs/dbraw/zinc/43/04/48/981430448.db2.gz JNYQSKAPZFGVAG-IBGZPJMESA-N -1 0 344.411 3.838 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)[C@@H]1CCCCS1 ZINC000909213470 981433859 /nfs/dbraw/zinc/43/38/59/981433859.db2.gz AWXXHOFIZCZWPB-ZDUSSCGKSA-N -1 0 335.450 3.501 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)[C@@H]2CCCCS2)c1 ZINC000909224127 981435668 /nfs/dbraw/zinc/43/56/68/981435668.db2.gz DRWRPCVYMZVPKQ-AWEZNQCLSA-N -1 0 339.482 3.619 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2cccc(N3CCCC3)c2)cc1 ZINC000909283966 981458442 /nfs/dbraw/zinc/45/84/42/981458442.db2.gz YDOVIAYYEAKQMU-UHFFFAOYSA-N -1 0 338.407 3.556 20 0 EHADRM CC(C)(O)C1CCC(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CC1 ZINC000909288665 981460483 /nfs/dbraw/zinc/46/04/83/981460483.db2.gz UHWUNUCMABOZRC-UHFFFAOYSA-N -1 0 347.455 3.565 20 0 EHADRM CCC/C(C)=C/C(=O)N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001595567332 981467165 /nfs/dbraw/zinc/46/71/65/981467165.db2.gz YLHPZWCUKBLZJE-HBWSCVEGSA-N -1 0 329.318 3.694 20 0 EHADRM CSc1cc(C)ccc1CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000909414586 981488699 /nfs/dbraw/zinc/48/86/99/981488699.db2.gz ZGVYQRKNLDRXCF-UHFFFAOYSA-N -1 0 347.480 3.758 20 0 EHADRM Cc1cc(C(=O)NCC2(CC(=O)[O-])CCCCC2)c(C(F)(F)F)o1 ZINC000909458484 981499408 /nfs/dbraw/zinc/49/94/08/981499408.db2.gz NXTOFNWKDZDEPF-UHFFFAOYSA-N -1 0 347.333 3.762 20 0 EHADRM CCC[C@H](CC(C)C)C(=O)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC001595578463 981500231 /nfs/dbraw/zinc/50/02/31/981500231.db2.gz DXOCMARDEHAOOD-MRXNPFEDSA-N -1 0 335.444 3.571 20 0 EHADRM CC(C)(CC(=O)NCC1(CC(=O)[O-])CCCCC1)CC(F)(F)F ZINC000909463153 981500298 /nfs/dbraw/zinc/50/02/98/981500298.db2.gz CEBSJOZFQPDANS-UHFFFAOYSA-N -1 0 337.382 3.897 20 0 EHADRM Cc1ccc2nc(C(=O)N3CCC[C@@H](C(C)(C)C(=O)[O-])C3)ccc2c1 ZINC000909495839 981511912 /nfs/dbraw/zinc/51/19/12/981511912.db2.gz XKNBIRLTVYDNEP-OAHLLOKOSA-N -1 0 340.423 3.506 20 0 EHADRM CCC[C@H](CC(C)C)C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-] ZINC001595585954 981527820 /nfs/dbraw/zinc/52/78/20/981527820.db2.gz JWYLMBPXDFXANW-CVEARBPZSA-N -1 0 337.435 3.648 20 0 EHADRM C[C@H](CC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-])c1c[nH]c2ccccc21 ZINC000909530484 981533957 /nfs/dbraw/zinc/53/39/57/981533957.db2.gz IEARKQUEHZAPAQ-OWDMVUQNSA-N -1 0 342.439 3.811 20 0 EHADRM CCCC(CCC)SCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC001595586608 981533934 /nfs/dbraw/zinc/53/39/34/981533934.db2.gz HBGNOFRYXARLAL-QGZVFWFLSA-N -1 0 349.496 3.727 20 0 EHADRM CC1(c2ccccc2)CCN(C(=O)C23CCC(C(=O)[O-])(CC2)C3)CC1 ZINC000909545415 981537732 /nfs/dbraw/zinc/53/77/32/981537732.db2.gz FTNQNOHVDSTNIZ-UHFFFAOYSA-N -1 0 341.451 3.602 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000909557137 981541409 /nfs/dbraw/zinc/54/14/09/981541409.db2.gz QJESATKTTFSIGL-MPKXVKKWSA-N -1 0 343.345 3.569 20 0 EHADRM CCC[C@H](CNC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)OCC ZINC001595593249 981556776 /nfs/dbraw/zinc/55/67/76/981556776.db2.gz XOCDCZOPTFYJOQ-OAHLLOKOSA-N -1 0 344.411 3.865 20 0 EHADRM C[C@]1(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)CC=CCC1 ZINC000909629120 981556913 /nfs/dbraw/zinc/55/69/13/981556913.db2.gz RLQWQJVMBZETHN-FCEWJHQRSA-N -1 0 347.842 3.713 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1csc(C2CCCCC2)n1 ZINC000909685099 981571466 /nfs/dbraw/zinc/57/14/66/981571466.db2.gz ZKPADFZQWLSDNP-GUTXKFCHSA-N -1 0 348.468 3.516 20 0 EHADRM CCC[C@H](NC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1)C(C)(C)C ZINC001595600097 981577134 /nfs/dbraw/zinc/57/71/34/981577134.db2.gz KPIRCYSKIIPZAZ-HNNXBMFYSA-N -1 0 335.444 3.711 20 0 EHADRM CCC[C@H](NC(=O)NCc1ccc(C(=O)[O-])cc1F)C1CCCC1 ZINC001595600758 981582729 /nfs/dbraw/zinc/58/27/29/981582729.db2.gz WRWWHAMEAMRSMM-INIZCTEOSA-N -1 0 336.407 3.682 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)C12CCC(C(=O)[O-])(CC1)C2)C(F)(F)F ZINC000909729163 981582848 /nfs/dbraw/zinc/58/28/48/981582848.db2.gz GYLTUEDFHOWHPJ-SFNBMPIDSA-N -1 0 335.366 3.505 20 0 EHADRM Cc1nc(-c2ccccc2C)sc1C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000909739079 981587311 /nfs/dbraw/zinc/58/73/11/981587311.db2.gz ZHUFXSHOFVRDHT-CYBMUJFWSA-N -1 0 344.436 3.506 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N1CCc2c(Cl)cc(Cl)cc2[C@@H]1C ZINC001594744827 981626794 /nfs/dbraw/zinc/62/67/94/981626794.db2.gz BMGPTESQAYLPAT-WPRPVWTQSA-N -1 0 330.211 3.550 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N[C@@](C)(Cc1ccc(Cl)cc1)C(C)C ZINC001594747079 981636405 /nfs/dbraw/zinc/63/64/05/981636405.db2.gz GISDEILPQAQMOU-PBHICJAKSA-N -1 0 325.836 3.524 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N[C@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC001594749101 981647766 /nfs/dbraw/zinc/64/77/66/981647766.db2.gz UMSQPGSYGSMUES-DOMZBBRYSA-N -1 0 345.370 3.906 20 0 EHADRM CCCC1(CCC)CCCN1S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC001595617669 981656484 /nfs/dbraw/zinc/65/64/84/981656484.db2.gz VLKAQZWXALWUBB-UHFFFAOYSA-N -1 0 345.486 3.570 20 0 EHADRM Cc1ccc2c(c1)CC[C@H](C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1)O2 ZINC000909836303 981656580 /nfs/dbraw/zinc/65/65/80/981656580.db2.gz OHJQJRGDQDMEIX-FZKQIMNGSA-N -1 0 339.391 3.515 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)NCC1(c2c(Cl)cccc2Cl)CCC1 ZINC001594753594 981662310 /nfs/dbraw/zinc/66/23/10/981662310.db2.gz XOZFPYQGUASWDP-JTQLQIEISA-N -1 0 344.238 3.642 20 0 EHADRM CCC[C@@]1(COC)CCCN1C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC001595618191 981662740 /nfs/dbraw/zinc/66/27/40/981662740.db2.gz NYERLDXLIOQLRT-LIRRHRJNSA-N -1 0 348.443 3.688 20 0 EHADRM CCC[C@@H]1C[C@H](C(=O)Nc2cc(C(=O)[O-])ccc2Cl)CCO1 ZINC001595620288 981687519 /nfs/dbraw/zinc/68/75/19/981687519.db2.gz CHYDOXCONSQUDZ-ZYHUDNBSSA-N -1 0 325.792 3.572 20 0 EHADRM CCC[C@@H]1C[C@@H](C(=O)O[C@H](C(=O)[O-])c2ccc(Cl)cc2)CCO1 ZINC001595620362 981688502 /nfs/dbraw/zinc/68/85/02/981688502.db2.gz FMRNQFMNKZSJON-CFVMTHIKSA-N -1 0 340.803 3.604 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cn1 ZINC001594759867 981689806 /nfs/dbraw/zinc/68/98/06/981689806.db2.gz SELISWSIHWDJTP-ZDUSSCGKSA-N -1 0 334.759 3.577 20 0 EHADRM O=C([O-])c1cccc2c1CN(C(=O)CC[C@H]1CCc3ccccc31)CC2 ZINC000909867181 981690548 /nfs/dbraw/zinc/69/05/48/981690548.db2.gz ZYSYVDVELBZXBL-QGZVFWFLSA-N -1 0 349.430 3.780 20 0 EHADRM CCC[C@@H]1C[C@H](C(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)CCO1 ZINC001595620540 981690778 /nfs/dbraw/zinc/69/07/78/981690778.db2.gz LJYWMLRKDBOSAK-GHMZBOCLSA-N -1 0 326.776 3.539 20 0 EHADRM CSc1ccccc1[C@@H](C)NC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000909920171 981701967 /nfs/dbraw/zinc/70/19/67/981701967.db2.gz COCBQCUMJQIZDM-RGZNSWCXSA-N -1 0 333.453 3.621 20 0 EHADRM CCC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001595621840 981703810 /nfs/dbraw/zinc/70/38/10/981703810.db2.gz POAKTOLFAZCXNE-PMPSAXMXSA-N -1 0 338.492 3.878 20 0 EHADRM CC(C)(CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2)CC(F)(F)F ZINC000910011884 981734173 /nfs/dbraw/zinc/73/41/73/981734173.db2.gz AOZGOGLXKLBYNC-UHFFFAOYSA-N -1 0 335.366 3.506 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1cccc2c1O[C@@H](C)C2)c1ccccc1 ZINC001594770088 981735856 /nfs/dbraw/zinc/73/58/56/981735856.db2.gz FMVUKFDWCNNMGV-GUYCJALGSA-N -1 0 339.391 3.520 20 0 EHADRM Cc1ccsc1CCCC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000910039889 981738863 /nfs/dbraw/zinc/73/88/63/981738863.db2.gz GRWDMZLRHXAUBO-UHFFFAOYSA-N -1 0 329.421 3.620 20 0 EHADRM CC[C@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(F)cc1 ZINC001594774320 981751684 /nfs/dbraw/zinc/75/16/84/981751684.db2.gz CPGBGIXFXZSCKT-JKSUJKDBSA-N -1 0 334.318 3.828 20 0 EHADRM CC[C@H](C(=O)OC1CCC(CC(=O)[O-])CC1)c1ccc(OC)cc1 ZINC001594774848 981755178 /nfs/dbraw/zinc/75/51/78/981755178.db2.gz IKHSTWWQJZLZBA-IMRCBTMISA-N -1 0 334.412 3.766 20 0 EHADRM Cc1ccc(C(=O)N[C@H](C)c2ncc(C(=O)[O-])s2)c(Cl)c1C ZINC000910153087 981766872 /nfs/dbraw/zinc/76/68/72/981766872.db2.gz REVOBRPIAFRCED-SECBINFHSA-N -1 0 338.816 3.603 20 0 EHADRM CC[C@H](C(=O)Oc1ccc(C(=O)[O-])c(OC)c1)c1ccc(OC)cc1 ZINC001594778040 981772747 /nfs/dbraw/zinc/77/27/47/981772747.db2.gz HWZTWXKDRBPGKG-HNNXBMFYSA-N -1 0 344.363 3.501 20 0 EHADRM CC[C@H](C(=O)Oc1cc(C(=O)[O-])cc(F)c1C)c1ccc(OC)cc1 ZINC001594778518 981777325 /nfs/dbraw/zinc/77/73/25/981777325.db2.gz UJBUKYGIRWBHAD-HNNXBMFYSA-N -1 0 346.354 3.940 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@@H](C)OC1CCCCCC1 ZINC001594780295 981783525 /nfs/dbraw/zinc/78/35/25/981783525.db2.gz DYLYCWWHWLFNDJ-KUHUBIRLSA-N -1 0 339.476 3.606 20 0 EHADRM CC(C)c1cc(Cl)ccc1NC(=O)CCCn1ccc(C(=O)[O-])n1 ZINC000910227410 981792561 /nfs/dbraw/zinc/79/25/61/981792561.db2.gz FMWNMOYAOZTMHD-UHFFFAOYSA-N -1 0 349.818 3.777 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccsc1C(F)F ZINC001594785017 981801918 /nfs/dbraw/zinc/80/19/18/981801918.db2.gz JTGKIAITVLKKMU-OAHLLOKOSA-N -1 0 331.384 3.791 20 0 EHADRM CCCC[C@@H](C(=O)[O-])n1cc(C(C)(C)OCc2ccccc2)nn1 ZINC001595630017 981812508 /nfs/dbraw/zinc/81/25/08/981812508.db2.gz SXCWNSCGLRBEBJ-HNNXBMFYSA-N -1 0 331.416 3.546 20 0 EHADRM CCCSCC(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000910254940 981831879 /nfs/dbraw/zinc/83/18/79/981831879.db2.gz KJYUBZFNHQNKCT-UHFFFAOYSA-N -1 0 346.246 3.537 20 0 EHADRM CCCC[C@H](CC)C(=O)N[C@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC001595631954 981847264 /nfs/dbraw/zinc/84/72/64/981847264.db2.gz LOZCTXUTDXBKHV-NHYWBVRUSA-N -1 0 341.835 3.807 20 0 EHADRM Cc1nc(N[C@H](C)c2nc(C(F)(F)F)cs2)ccc1C(=O)[O-] ZINC000910299564 981855576 /nfs/dbraw/zinc/85/55/76/981855576.db2.gz PWTQAXKKWJMSSD-SSDOTTSWSA-N -1 0 331.319 3.737 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(OC(C)(C)C)cc1 ZINC001594792024 981856864 /nfs/dbraw/zinc/85/68/64/981856864.db2.gz JSUPHXNXJUVLIS-HXUWFJFHSA-N -1 0 347.455 3.969 20 0 EHADRM CCCC[C@@H](CC)CNC(=S)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001595632889 981861902 /nfs/dbraw/zinc/86/19/02/981861902.db2.gz VAMFJZAGKIGHOT-GHMZBOCLSA-N -1 0 343.518 3.583 20 0 EHADRM C[C@@H](C(=O)N[C@](C)(CC(=O)[O-])C1CC1)c1ccc2ccccc2c1 ZINC000910319648 981872532 /nfs/dbraw/zinc/87/25/32/981872532.db2.gz UUWHETDXWJCCPS-ZUOKHONESA-N -1 0 325.408 3.703 20 0 EHADRM CC(C)(C)c1ccc(CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)o1 ZINC000910349187 981885500 /nfs/dbraw/zinc/88/55/00/981885500.db2.gz RBXQNPWUOFBLTC-UHFFFAOYSA-N -1 0 333.428 3.619 20 0 EHADRM CCCC[C@@H](NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001595634585 981890139 /nfs/dbraw/zinc/89/01/39/981890139.db2.gz QIAWHFGNGSTVBW-CZUORRHYSA-N -1 0 335.444 3.511 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)CC(C)(C)CC(F)(F)F)c1 ZINC000910369171 981899854 /nfs/dbraw/zinc/89/98/54/981899854.db2.gz JYPNSWKYKGYTNN-CYBMUJFWSA-N -1 0 345.361 3.996 20 0 EHADRM CCCC[C@H](NC(=O)Cc1coc2c1ccc(Cl)c2C)C(=O)[O-] ZINC001595635981 981911103 /nfs/dbraw/zinc/91/11/03/981911103.db2.gz SYDYNZWZAGPXLI-AWEZNQCLSA-N -1 0 337.803 3.697 20 0 EHADRM CCC(C)(C)CC(=O)Nc1cc(C(=O)[O-])c(NC(C)=O)cc1Cl ZINC001594808815 981922427 /nfs/dbraw/zinc/92/24/27/981922427.db2.gz NZTULLQEZKONJL-UHFFFAOYSA-N -1 0 340.807 3.761 20 0 EHADRM CCCC[C@H](NC(=O)c1cc2cccc(Cl)c2nc1C)C(=O)[O-] ZINC001595636867 981923856 /nfs/dbraw/zinc/92/38/56/981923856.db2.gz XICAQTUGSDWSKL-AWEZNQCLSA-N -1 0 334.803 3.570 20 0 EHADRM CCC(C)(C)c1ccc(COC(=O)c2cccc(C(=O)[O-])n2)cc1 ZINC001594815608 981943178 /nfs/dbraw/zinc/94/31/78/981943178.db2.gz GHOKMSNCSINEBK-UHFFFAOYSA-N -1 0 327.380 3.824 20 0 EHADRM C[C@H](Nc1nc(C(F)(F)F)cs1)c1ccc(OCC(=O)[O-])cc1 ZINC000910466180 981949428 /nfs/dbraw/zinc/94/94/28/981949428.db2.gz HKLHZCORBOMMEU-QMMMGPOBSA-N -1 0 346.330 3.798 20 0 EHADRM Cc1cc(C(=O)N2CCCSC[C@H]2c2ccccc2)oc1C(=O)[O-] ZINC000910514570 981980835 /nfs/dbraw/zinc/98/08/35/981980835.db2.gz XTVJSTJMCDYFCT-AWEZNQCLSA-N -1 0 345.420 3.607 20 0 EHADRM C[C@H]1CCN(C(=O)CCc2ccc(C(=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000910545493 981988161 /nfs/dbraw/zinc/98/81/61/981988161.db2.gz WFMQYRGKXYFELL-MGPUTAFESA-N -1 0 337.419 3.927 20 0 EHADRM CCCC[C@H](S[C@H](C)C(=O)NCc1ccccc1Cl)C(=O)[O-] ZINC001595650988 982015824 /nfs/dbraw/zinc/01/58/24/982015824.db2.gz ARTHNBSUMFHHJI-RISCZKNCSA-N -1 0 343.876 3.721 20 0 EHADRM CCCC[C@@H](S[C@H](Cc1ccc(Cl)cc1)C(=O)OC)C(=O)[O-] ZINC001595652294 982033328 /nfs/dbraw/zinc/03/33/28/982033328.db2.gz RWTLVTMAVZFQMH-ZIAGYGMSSA-N -1 0 344.860 3.801 20 0 EHADRM Cc1cn(C2CCCCC2)nc1NC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000910647943 982039454 /nfs/dbraw/zinc/03/94/54/982039454.db2.gz NBSXWHLNOKFKCE-UHFFFAOYSA-N -1 0 341.411 3.576 20 0 EHADRM CCCC[C@H](SCC(=O)N1c2ccccc2CC[C@H]1C)C(=O)[O-] ZINC001595654865 982041574 /nfs/dbraw/zinc/04/15/74/982041574.db2.gz FUJMRTCSYYRGHV-CJNGLKHVSA-N -1 0 335.469 3.731 20 0 EHADRM CC[C@](C)(NC(=O)/C=C/c1cc(C(=O)[O-])co1)c1ccc(F)cc1 ZINC001594836851 982041901 /nfs/dbraw/zinc/04/19/01/982041901.db2.gz HUIOLKDLDXTAHY-BLGFXRMMSA-N -1 0 331.343 3.572 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)c2ccc(/C=C/C(=O)[O-])o2)c1C1CC1 ZINC000910649762 982041980 /nfs/dbraw/zinc/04/19/80/982041980.db2.gz YMULSOJINHEEHI-DJYGCBNOSA-N -1 0 343.383 3.675 20 0 EHADRM CC[C@@](C)(NC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001594841286 982052974 /nfs/dbraw/zinc/05/29/74/982052974.db2.gz BLUKRASRVNBOAO-APPDUMDISA-N -1 0 347.440 3.527 20 0 EHADRM CCc1ccc(C)nc1NC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000910684153 982060873 /nfs/dbraw/zinc/06/08/73/982060873.db2.gz XQJKORVKYOCOBV-GFCCVEGCSA-N -1 0 344.436 3.770 20 0 EHADRM CCCC[C@H](SCc1noc(-c2ccc(F)cc2F)n1)C(=O)[O-] ZINC001595657776 982066428 /nfs/dbraw/zinc/06/64/28/982066428.db2.gz RXRYYPMOLGNIQF-LBPRGKRZSA-N -1 0 342.367 3.891 20 0 EHADRM CCCC[C@@H]1CCC[C@@H]1N[C@@H](C(=O)OC)c1cccc(C(=O)[O-])c1 ZINC001595660617 982072203 /nfs/dbraw/zinc/07/22/03/982072203.db2.gz KQZJPSQHXVMHLW-XOKHGSTOSA-N -1 0 333.428 3.547 20 0 EHADRM CCCCCC(C)(C)CNC(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC001595662393 982078882 /nfs/dbraw/zinc/07/88/82/982078882.db2.gz BVRPPBAANLPHST-UHFFFAOYSA-N -1 0 341.477 3.888 20 0 EHADRM O=C([O-])c1nc(NC(=O)C[C@@H]2CCc3ccccc32)sc1C1CC1 ZINC000910733302 982095852 /nfs/dbraw/zinc/09/58/52/982095852.db2.gz OSHAXIYLKWLGEQ-LBPRGKRZSA-N -1 0 342.420 3.777 20 0 EHADRM C[C@H](CC(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)c1ccccc1 ZINC000910734607 982096108 /nfs/dbraw/zinc/09/61/08/982096108.db2.gz HMTHJVNNYKFHFI-SNVBAGLBSA-N -1 0 330.409 3.851 20 0 EHADRM CCCCC[C@@H](C)CC(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2 ZINC001595666195 982096638 /nfs/dbraw/zinc/09/66/38/982096638.db2.gz FBHJLLWPPNVIAA-VXGBXAGGSA-N -1 0 338.473 3.878 20 0 EHADRM Cc1ccc(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)cc1Cl ZINC000910735449 982097871 /nfs/dbraw/zinc/09/78/71/982097871.db2.gz KERLROVMDCYOFU-UHFFFAOYSA-N -1 0 336.800 3.933 20 0 EHADRM CCCCC[C@H](C)CC(=O)N[C@](C)(Cc1ccc(F)cc1)C(=O)[O-] ZINC001595666330 982099585 /nfs/dbraw/zinc/09/95/85/982099585.db2.gz IMQHWPJFTGOOEW-IFXJQAMLSA-N -1 0 337.435 3.934 20 0 EHADRM O=C([O-])c1nc(NC(=O)c2ccc(C(F)F)o2)sc1C1CC1 ZINC000910740376 982102753 /nfs/dbraw/zinc/10/27/53/982102753.db2.gz XEQJSSBBAWKUHM-UHFFFAOYSA-N -1 0 328.296 3.502 20 0 EHADRM CSc1cc(C)c(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)o1 ZINC000910742329 982104588 /nfs/dbraw/zinc/10/45/88/982104588.db2.gz PDVIIUDAVYRZFN-UHFFFAOYSA-N -1 0 338.410 3.594 20 0 EHADRM CCCCC[C@@H](CC)C(=O)Nc1c2cccnc2n(C)c1C(=O)[O-] ZINC001595671086 982123120 /nfs/dbraw/zinc/12/31/20/982123120.db2.gz ZABRQZMWSRNPRU-GFCCVEGCSA-N -1 0 331.416 3.817 20 0 EHADRM CC/C(C)=C(\C)C(=O)OCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001594860638 982139496 /nfs/dbraw/zinc/13/94/96/982139496.db2.gz MOBOMWZDLXRKNH-VAWYXSNFSA-N -1 0 329.352 3.829 20 0 EHADRM CCCCC[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)C(=O)[O-] ZINC001595675956 982144936 /nfs/dbraw/zinc/14/49/36/982144936.db2.gz FLXBOXSRXRBELB-AWEZNQCLSA-N -1 0 333.359 3.849 20 0 EHADRM CCCCC[C@H](NC(=O)c1cc(Oc2ccccc2)ccn1)C(=O)[O-] ZINC001595676086 982146011 /nfs/dbraw/zinc/14/60/11/982146011.db2.gz HVBUCCBGOBZRQK-INIZCTEOSA-N -1 0 342.395 3.637 20 0 EHADRM CC/C(C)=C(/C)C(=O)N[C@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC001594861781 982150051 /nfs/dbraw/zinc/15/00/51/982150051.db2.gz MDLYMAZKTPNUTR-XPSMFNQNSA-N -1 0 345.317 3.574 20 0 EHADRM CCCCC[C@H](NC(=O)c1sc(C)cc1Br)C(=O)[O-] ZINC001595680494 982154266 /nfs/dbraw/zinc/15/42/66/982154266.db2.gz FAEBBDWSNKGTDW-JTQLQIEISA-N -1 0 348.262 3.582 20 0 EHADRM C[C@@H]1CN(C(=O)c2sc3ccccc3c2Cl)C[C@H]1CC(=O)[O-] ZINC000910870280 982157650 /nfs/dbraw/zinc/15/76/50/982157650.db2.gz WIFDSDGAYZBFSI-NXEZZACHSA-N -1 0 337.828 3.738 20 0 EHADRM CC/C(C)=C\C(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC001594864257 982158874 /nfs/dbraw/zinc/15/88/74/982158874.db2.gz GKSNGXBSWIHANA-LUAWRHEFSA-N -1 0 330.409 3.732 20 0 EHADRM CCCCC[C@H](NC(=O)c1ccc(F)c(C(F)(F)F)c1)C(=O)[O-] ZINC001595681567 982163084 /nfs/dbraw/zinc/16/30/84/982163084.db2.gz RPFSQOUTAUMESM-LBPRGKRZSA-N -1 0 335.297 3.608 20 0 EHADRM CCn1c(C)cc(C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)c1C ZINC000910950507 982173717 /nfs/dbraw/zinc/17/37/17/982173717.db2.gz WMDOSTNUBOSKKC-UHFFFAOYSA-N -1 0 332.425 3.797 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1CCc2ccc(OC)cc21 ZINC000910958211 982177137 /nfs/dbraw/zinc/17/71/37/982177137.db2.gz FWWOEPRRRYPRFP-INIZCTEOSA-N -1 0 339.391 3.624 20 0 EHADRM Cc1cc(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)cc(C(=O)[O-])c1 ZINC000911070662 982224625 /nfs/dbraw/zinc/22/46/25/982224625.db2.gz HWWHTPIQZLLENS-UHFFFAOYSA-N -1 0 341.411 3.774 20 0 EHADRM CCCCCC[C@@](O)(C[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1)C(=O)[O-] ZINC001595696589 982231280 /nfs/dbraw/zinc/23/12/80/982231280.db2.gz JUHVEXSVEGAWHL-FXAWDEMLSA-N -1 0 349.471 3.983 20 0 EHADRM CCCCCC[C@@H](C)CC(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)[O-] ZINC001595697999 982247770 /nfs/dbraw/zinc/24/77/70/982247770.db2.gz OXFOJQIQFNPDKL-KDOFPFPSSA-N -1 0 347.455 3.727 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)CCCOc1cccc2ccccc21)C(=O)[O-] ZINC001594887770 982275843 /nfs/dbraw/zinc/27/58/43/982275843.db2.gz URJXAGAYAAIIKJ-AUUYWEPGSA-N -1 0 343.423 3.614 20 0 EHADRM CCCCCCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)[O-])cc1 ZINC001595714810 982310967 /nfs/dbraw/zinc/31/09/67/982310967.db2.gz HCYPGDZPYISRPI-MRXNPFEDSA-N -1 0 348.468 3.523 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1ccc(N[C@H](C)c2ccccc2)cc1 ZINC000911248274 982312407 /nfs/dbraw/zinc/31/24/07/982312407.db2.gz PUMVZGQCLRLUPM-CXAGYDPISA-N -1 0 326.396 3.909 20 0 EHADRM CCCCCc1cc(C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)n[nH]1 ZINC001595727326 982351650 /nfs/dbraw/zinc/35/16/50/982351650.db2.gz FTKJKNQRTFZVAM-UHFFFAOYSA-N -1 0 340.383 3.574 20 0 EHADRM CCCCCn1nc(C)cc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC001595727870 982356189 /nfs/dbraw/zinc/35/61/89/982356189.db2.gz RQUHFWHLAQUXFM-UHFFFAOYSA-N -1 0 343.427 3.651 20 0 EHADRM CCCCN(C)c1ccc(C(=O)N[C@H](CC(C)(C)C)C(=O)[O-])cc1 ZINC001595740752 982400109 /nfs/dbraw/zinc/40/01/09/982400109.db2.gz ZVQSUZHJDZNHEL-MRXNPFEDSA-N -1 0 334.460 3.542 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)c1cc(C(C)C)nc2ccccc21)C(=O)[O-] ZINC001594911293 982413383 /nfs/dbraw/zinc/41/33/83/982413383.db2.gz AJWUJOUEXZDPGH-YVEFUNNKSA-N -1 0 328.412 3.587 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)c1cc(OCc2ccccc2)cs1)C(=O)[O-] ZINC001594911401 982415365 /nfs/dbraw/zinc/41/53/65/982415365.db2.gz DZVASTYVWOXXIS-WBMJQRKESA-N -1 0 347.436 3.556 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)c1ccc2c(c1)oc1ccccc12)C(=O)[O-] ZINC001594912112 982420511 /nfs/dbraw/zinc/42/05/11/982420511.db2.gz GSOKXTCHHOAKMG-PIGZYNQJSA-N -1 0 325.364 3.815 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)c1nc(-c2ccccc2)oc1C(C)C)C(=O)[O-] ZINC001594912244 982422124 /nfs/dbraw/zinc/42/21/24/982422124.db2.gz IXJTUYIYNCEHKC-TZMCWYRMSA-N -1 0 344.411 3.694 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccccc1CN(C)c1ccccc1 ZINC000911550937 982493481 /nfs/dbraw/zinc/49/34/81/982493481.db2.gz IKMBOYFUDNMOAF-OAHLLOKOSA-N -1 0 340.423 3.762 20 0 EHADRM O=C([O-])c1cccc(NC2CCN(C(=O)C3=CCCCCC3)CC2)c1 ZINC000911597960 982529703 /nfs/dbraw/zinc/52/97/03/982529703.db2.gz MGQCVHONAVZIQH-UHFFFAOYSA-N -1 0 342.439 3.678 20 0 EHADRM CCCCOc1ccc(CNc2nccnc2C(=O)[O-])cc1Cl ZINC001595775541 982537500 /nfs/dbraw/zinc/53/75/00/982537500.db2.gz JMZOIKFARIORBJ-UHFFFAOYSA-N -1 0 335.791 3.619 20 0 EHADRM CC[C@H](C)[C@H]1CCCCN1C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001594929254 982546386 /nfs/dbraw/zinc/54/63/86/982546386.db2.gz RGQPWLPUFHPHAJ-QJPTWQEYSA-N -1 0 339.461 3.513 20 0 EHADRM CCCCOc1cccc(CNC(=O)CC2(CC(=O)[O-])CCCC2)c1 ZINC001595780795 982554355 /nfs/dbraw/zinc/55/43/55/982554355.db2.gz NUSRGSUBDUQTGB-UHFFFAOYSA-N -1 0 347.455 3.907 20 0 EHADRM CCCCOc1cccc(NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC001595780969 982556321 /nfs/dbraw/zinc/55/63/21/982556321.db2.gz SHSCUSKLGXENOQ-OAHLLOKOSA-N -1 0 348.443 3.974 20 0 EHADRM CO[C@@H](C)c1nc(=NC(=O)c2coc3ccc(C(C)C)cc23)s[n-]1 ZINC000510082777 1014857991 /nfs/dbraw/zinc/85/79/91/1014857991.db2.gz RROLCYSMPDKCBJ-JTQLQIEISA-N -1 0 345.424 3.789 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCc2cc(Cl)c(Cl)cc2[C@H]1C ZINC000911651014 982584187 /nfs/dbraw/zinc/58/41/87/982584187.db2.gz KMJFCUADTDVIFU-VHSXEESVSA-N -1 0 344.238 3.940 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(C2CCCC2)cc1)c1ccncc1 ZINC000911661580 982591937 /nfs/dbraw/zinc/59/19/37/982591937.db2.gz AXWDNCWYVWNJHB-SFHVURJKSA-N -1 0 338.407 3.685 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC001594937191 982598039 /nfs/dbraw/zinc/59/80/39/982598039.db2.gz RXHRKBQCYPXWFI-MAUKXSAKSA-N -1 0 339.435 3.824 20 0 EHADRM CCCCc1ccc(N(C)C(=O)Nc2ccc(C(=O)[O-])nc2)cc1 ZINC001595796116 982600537 /nfs/dbraw/zinc/60/05/37/982600537.db2.gz GOXWQAWDYYJESD-UHFFFAOYSA-N -1 0 327.384 3.791 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)Cc1cccc(OCC=C(C)C)c1)C(=O)[O-] ZINC001594942411 982619353 /nfs/dbraw/zinc/61/93/53/982619353.db2.gz PNOJDBGABSHLDS-QAPCUYQASA-N -1 0 347.455 3.580 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)Cc1cccc(OCC=C(C)C)c1)C(=O)[O-] ZINC001594942410 982619423 /nfs/dbraw/zinc/61/94/23/982619423.db2.gz PNOJDBGABSHLDS-MAUKXSAKSA-N -1 0 347.455 3.580 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)C1 ZINC000911743572 982625897 /nfs/dbraw/zinc/62/58/97/982625897.db2.gz RXVURRAVRJYOSL-FKSLSLAPSA-N -1 0 341.451 3.815 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)c1c(C)[nH]c2ccc(Cl)cc21)C(=O)[O-] ZINC001594944626 982627737 /nfs/dbraw/zinc/62/77/37/982627737.db2.gz GQGWOXZTXPBXNP-OTYXRUKQSA-N -1 0 336.819 3.749 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)c1cccc(-c2csc(C)n2)c1)C(=O)[O-] ZINC001594945714 982634734 /nfs/dbraw/zinc/63/47/34/982634734.db2.gz GLVPOEBWVCRJBS-IAQYHMDHSA-N -1 0 346.452 3.738 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)c1cc(-n2cccc2)ccc1Cl)C(=O)[O-] ZINC001594946537 982641807 /nfs/dbraw/zinc/64/18/07/982641807.db2.gz XORUHTOBMVKNNR-WBMJQRKESA-N -1 0 348.830 3.750 20 0 EHADRM CCCCn1ncc(N[C@@H](C)c2ccccc2OCC(=O)[O-])c1C ZINC001595810485 982645841 /nfs/dbraw/zinc/64/58/41/982645841.db2.gz LBPZXJQODRQAFZ-ZDUSSCGKSA-N -1 0 331.416 3.628 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)N[C@H](C[C@H](C)CC)C(=O)[O-])cc1 ZINC001594947009 982645834 /nfs/dbraw/zinc/64/58/34/982645834.db2.gz WNJBGZZLXLKBLL-CXAGYDPISA-N -1 0 335.444 3.873 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)c1csc(-c2ccccc2C)n1)C(=O)[O-] ZINC001594949657 982651741 /nfs/dbraw/zinc/65/17/41/982651741.db2.gz GSONUTQWQNBAQM-FZMZJTMJSA-N -1 0 346.452 3.738 20 0 EHADRM CCCN(C(=O)[C@H](C)c1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)[O-] ZINC001595814270 982658710 /nfs/dbraw/zinc/65/87/10/982658710.db2.gz QMYQXQPFMMFGBJ-NXEZZACHSA-N -1 0 332.227 3.809 20 0 EHADRM CCCN(C(=O)CCc1ccccc1C(=O)[O-])c1ccccc1F ZINC001595816676 982675169 /nfs/dbraw/zinc/67/51/69/982675169.db2.gz MJQSZJBAHRJAOU-UHFFFAOYSA-N -1 0 329.371 3.900 20 0 EHADRM CC[C@H](C)C[C@H](Nc1ncnc2sc3c(c21)CCCC3)C(=O)[O-] ZINC001594952924 982675469 /nfs/dbraw/zinc/67/54/69/982675469.db2.gz OLJOHANNELKPMK-JQWIXIFHSA-N -1 0 333.457 3.871 20 0 EHADRM CC[C@H](C)CCC(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC001594953752 982682204 /nfs/dbraw/zinc/68/22/04/982682204.db2.gz VPCIFGYZEKJYMZ-LBPRGKRZSA-N -1 0 327.371 3.594 20 0 EHADRM CCCN(C(=O)Cc1csc2cc(C)sc12)[C@H](C)C(=O)[O-] ZINC001595822555 982693530 /nfs/dbraw/zinc/69/35/30/982693530.db2.gz QUSZRYNOEYTOLS-SNVBAGLBSA-N -1 0 325.455 3.525 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccsc1C(F)F ZINC000923042304 982697756 /nfs/dbraw/zinc/69/77/56/982697756.db2.gz HBHCZGZWPPZPQB-LSJOCFKGSA-N -1 0 329.368 3.544 20 0 EHADRM CCCN(C(=O)c1cccc(CC(=O)[O-])c1)c1ccc(CC)cc1 ZINC001595829831 982715488 /nfs/dbraw/zinc/71/54/88/982715488.db2.gz DJMQMJBZWCJJPR-UHFFFAOYSA-N -1 0 325.408 3.933 20 0 EHADRM CCCN(C(=O)c1csc(-c2ccc(CC)cc2)n1)[C@@H](C)C(=O)[O-] ZINC001595831442 982722659 /nfs/dbraw/zinc/72/26/59/982722659.db2.gz LAZSZVHCKZQFKU-LBPRGKRZSA-N -1 0 346.452 3.698 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@@H](C)Sc1ccccc1Cl ZINC001594968149 982732839 /nfs/dbraw/zinc/73/28/39/982732839.db2.gz HLVLWEKTROSCBF-WDEREUQCSA-N -1 0 329.849 3.532 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)NCCc2ccccc2C(=O)[O-])cc1 ZINC000923131009 982745765 /nfs/dbraw/zinc/74/57/65/982745765.db2.gz ZSHHEGAJZURHCM-AWEZNQCLSA-N -1 0 341.407 3.535 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cc2cccc(Cl)c2nc1C ZINC001594975393 982749465 /nfs/dbraw/zinc/74/94/65/982749465.db2.gz FNXSDTKJSPUUBV-SNVBAGLBSA-N -1 0 334.803 3.522 20 0 EHADRM CCCN(C)c1ccccc1NC(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001595840250 982759906 /nfs/dbraw/zinc/75/99/06/982759906.db2.gz UOIDXBAIBNCTHI-UHFFFAOYSA-N -1 0 330.359 3.622 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])Cc1oc2ccccc2c1Br ZINC001594981870 982775550 /nfs/dbraw/zinc/77/55/50/982775550.db2.gz KLNDYVYYRUBXBQ-SNVBAGLBSA-N -1 0 340.217 3.880 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2Cl)C[C@H]1C1CC1 ZINC000925896084 982866291 /nfs/dbraw/zinc/86/62/91/982866291.db2.gz WCPUVWVHWHDBGF-WDEREUQCSA-N -1 0 343.210 3.568 20 0 EHADRM CCCN(CCC)c1ccc(NC(=O)N[C@H](CC(=O)[O-])C2CC2)cc1 ZINC001595878940 982877410 /nfs/dbraw/zinc/87/74/10/982877410.db2.gz HQNNMNRTVTZYTQ-QGZVFWFLSA-N -1 0 347.459 3.688 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C/C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001595004144 982916517 /nfs/dbraw/zinc/91/65/17/982916517.db2.gz HJOPTUQHLFPZDV-WTNCMQEWSA-N -1 0 342.395 3.553 20 0 EHADRM CCCN(Cc1ccccc1F)C(=O)Nc1cnc(C)c(C(=O)[O-])c1 ZINC001595890939 982923213 /nfs/dbraw/zinc/92/32/13/982923213.db2.gz GTTWKAXILBGLSF-UHFFFAOYSA-N -1 0 345.374 3.671 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)Cc2ccc(C(=O)[O-])cc2)c1 ZINC001595008276 982927855 /nfs/dbraw/zinc/92/78/55/982927855.db2.gz NGAIPPZOFXQLQM-CYBMUJFWSA-N -1 0 327.380 3.743 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)Cc2ccc(C(=O)[O-])cc2)c1 ZINC001595008277 982927955 /nfs/dbraw/zinc/92/79/55/982927955.db2.gz NGAIPPZOFXQLQM-ZDUSSCGKSA-N -1 0 327.380 3.743 20 0 EHADRM CC[C@@H](C)Oc1ccc(NC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)cc1 ZINC001595008711 982929666 /nfs/dbraw/zinc/92/96/66/982929666.db2.gz QNSRYYVCHALPGT-NRXGSXMXSA-N -1 0 346.427 3.725 20 0 EHADRM CCn1c(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc2ccccc21 ZINC001119635010 983007536 /nfs/dbraw/zinc/00/75/36/983007536.db2.gz INRRGMCHMXINRZ-UHFFFAOYSA-N -1 0 326.327 3.751 20 0 EHADRM O=C([O-])c1cc2cccnc2c(NC(=O)CC2(C(F)(F)F)CC2)c1 ZINC001119682665 983021118 /nfs/dbraw/zinc/02/11/18/983021118.db2.gz QMYNGDVPPKSFJJ-UHFFFAOYSA-N -1 0 338.285 3.604 20 0 EHADRM CCCNC(=O)CCCSCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001595921844 983034856 /nfs/dbraw/zinc/03/48/56/983034856.db2.gz FGRYGQJNUIEYTQ-UHFFFAOYSA-N -1 0 329.849 3.578 20 0 EHADRM CCCOc1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1C ZINC001595960766 983154591 /nfs/dbraw/zinc/15/45/91/983154591.db2.gz BSIPQHHDZYGCMZ-UHFFFAOYSA-N -1 0 331.412 3.757 20 0 EHADRM CCCOc1ccc(COC(=O)c2ccc(C(=O)[O-])cc2)cc1OC ZINC001595961040 983155945 /nfs/dbraw/zinc/15/59/45/983155945.db2.gz QLSLPJKUFWSELC-UHFFFAOYSA-N -1 0 344.363 3.539 20 0 EHADRM CCCOc1ccc(NC(=O)c2ccc(/C=C\C(=O)[O-])o2)cc1F ZINC001595961093 983155980 /nfs/dbraw/zinc/15/59/80/983155980.db2.gz RSFWWGPMRMUUIQ-YVMONPNESA-N -1 0 333.315 3.558 20 0 EHADRM CCCOc1ccc(NC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c(C)c1 ZINC001595961298 983158749 /nfs/dbraw/zinc/15/87/49/983158749.db2.gz YSDHZPQMKOVMIG-APWZRJJASA-N -1 0 346.427 3.645 20 0 EHADRM CCC[C@@H]1C[C@H]1C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC001596007132 983261449 /nfs/dbraw/zinc/26/14/49/983261449.db2.gz AWQIMKBJSOEYCD-ZTFGCOKTSA-N -1 0 325.408 3.908 20 0 EHADRM CCCc1c(C(=O)NC[C@@H](C)c2cccc(C)c2)[nH]c(C)c1C(=O)[O-] ZINC001596037885 983323962 /nfs/dbraw/zinc/32/39/62/983323962.db2.gz XMCQIZADTKOADI-CYBMUJFWSA-N -1 0 342.439 3.816 20 0 EHADRM CCCc1c(NC[C@@H]2[C@@H](C(=O)[O-])C2(F)F)cnn1-c1ccc(C)cc1 ZINC001596050758 983349402 /nfs/dbraw/zinc/34/94/02/983349402.db2.gz LIONQZROIWAMKI-CJNGLKHVSA-N -1 0 349.381 3.511 20 0 EHADRM CCCc1ccc(NC(=O)NCc2ccc(C(=O)[O-])c(OC)c2)cc1 ZINC001596065270 983380303 /nfs/dbraw/zinc/38/03/03/983380303.db2.gz VOKNUMFAGYWMGC-UHFFFAOYSA-N -1 0 342.395 3.668 20 0 EHADRM CCCc1nc(C)c(NC(=O)NC(CC)(CC)CC(=O)[O-])s1 ZINC001596083787 983406698 /nfs/dbraw/zinc/40/66/98/983406698.db2.gz VDNUOXDDCCMNGL-UHFFFAOYSA-N -1 0 327.450 3.559 20 0 EHADRM CCCc1occc1C(=O)N1CCCC[C@H]1c1ccc(C(=O)[O-])n1C ZINC001596102818 983429141 /nfs/dbraw/zinc/42/91/41/983429141.db2.gz XQYVGVOFJUWYEP-HNNXBMFYSA-N -1 0 344.411 3.636 20 0 EHADRM CCCn1ncc(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c1C1CC1 ZINC001596120845 983456711 /nfs/dbraw/zinc/45/67/11/983456711.db2.gz HPQUWHDNAHZUKI-LBPRGKRZSA-N -1 0 341.411 3.611 20 0 EHADRM CCCn1ncc(C(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)c1C ZINC001596120965 983457055 /nfs/dbraw/zinc/45/70/55/983457055.db2.gz MQBXFGABYREDNI-MRXNPFEDSA-N -1 0 349.475 3.535 20 0 EHADRM CCN(C(=O)[C@@H](C)Cc1ccc(OC)cc1)c1ccccc1C(=O)[O-] ZINC001596128156 983471821 /nfs/dbraw/zinc/47/18/21/983471821.db2.gz UCHNXJZKRVRTJO-AWEZNQCLSA-N -1 0 341.407 3.625 20 0 EHADRM CCN(C(=O)[C@@H](C)Sc1ccccc1Cl)C(C)(C)C(=O)[O-] ZINC001596130742 983476594 /nfs/dbraw/zinc/47/65/94/983476594.db2.gz BWGAKNDUHCMABV-SNVBAGLBSA-N -1 0 329.849 3.532 20 0 EHADRM CCN(C(=O)C(CC(C)C)CC(C)C)c1ncc(C(=O)[O-])s1 ZINC001596130914 983476944 /nfs/dbraw/zinc/47/69/44/983476944.db2.gz DOCRSMIHNOGANE-UHFFFAOYSA-N -1 0 326.462 3.903 20 0 EHADRM CCN(C(=O)CC(=O)[O-])[C@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC001596134044 983482879 /nfs/dbraw/zinc/48/28/79/983482879.db2.gz QPVQKJBULZPXDX-HXUWFJFHSA-N -1 0 340.423 3.618 20 0 EHADRM CCN(C(=O)/C=C\c1cc(C)c(C)cc1C)c1ncc(C(=O)[O-])s1 ZINC001596137441 983486365 /nfs/dbraw/zinc/48/63/65/983486365.db2.gz KVEOGNOXAJZJFM-SREVYHEPSA-N -1 0 344.436 3.833 20 0 EHADRM CCN(C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(C)(C)C(=O)[O-] ZINC001596138871 983489857 /nfs/dbraw/zinc/48/98/57/983489857.db2.gz XWHQXWUZYNYHQZ-RYUDHWBXSA-N -1 0 344.238 3.809 20 0 EHADRM CCN(C(=O)Cc1ccc(-c2ccccc2)cc1)C(C)(C)C(=O)[O-] ZINC001596142874 983495310 /nfs/dbraw/zinc/49/53/10/983495310.db2.gz FPDTVFFNIKXYRO-UHFFFAOYSA-N -1 0 325.408 3.608 20 0 EHADRM CCN(C(=O)Nc1cc(C(=O)[O-])cs1)[C@H](C)Cc1ccsc1 ZINC001596151078 983511414 /nfs/dbraw/zinc/51/14/14/983511414.db2.gz SWUPWCGXAFKPPA-SNVBAGLBSA-N -1 0 338.454 3.993 20 0 EHADRM CCN(CC(C)(C)C)C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC001596228718 983620444 /nfs/dbraw/zinc/62/04/44/983620444.db2.gz QRNQRSPWHOBEPQ-LLVKDONJSA-N -1 0 340.395 3.578 20 0 EHADRM CCN(CC)c1ncc(CN[C@H](C(=O)[O-])c2cc(C)cc(C)c2)s1 ZINC001596292100 983711385 /nfs/dbraw/zinc/71/13/85/983711385.db2.gz CZEOHXBBYJFQOM-INIZCTEOSA-N -1 0 347.484 3.522 20 0 EHADRM CCN(CC1CCC1)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001596294270 983715124 /nfs/dbraw/zinc/71/51/24/983715124.db2.gz MTFQTPSYNTVVSV-INIZCTEOSA-N -1 0 332.444 3.670 20 0 EHADRM CCN(CCCOc1ccc(C(=O)[O-])c(Cl)c1)CC(F)(F)F ZINC001596329582 983767988 /nfs/dbraw/zinc/76/79/88/983767988.db2.gz ZDMZDBOXVRTYNR-UHFFFAOYSA-N -1 0 339.741 3.691 20 0 EHADRM CCN(Cc1c(F)cccc1F)[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001596354154 983813891 /nfs/dbraw/zinc/81/38/91/983813891.db2.gz ARMJGRGZKJPHEM-VIFPVBQESA-N -1 0 326.368 3.703 20 0 EHADRM CCN(Cc1cccc(Cl)c1)C(=O)Nc1cc(C)c(C(=O)[O-])cn1 ZINC001596364368 983845737 /nfs/dbraw/zinc/84/57/37/983845737.db2.gz APOHEPOCQJGSCX-UHFFFAOYSA-N -1 0 347.802 3.796 20 0 EHADRM CCN(Cc1ccoc1C(=O)[O-])Cc1ccccc1Br ZINC001596371773 983873029 /nfs/dbraw/zinc/87/30/29/983873029.db2.gz KWLQYVZLRDJWMK-UHFFFAOYSA-N -1 0 338.201 3.762 20 0 EHADRM CCN(Cc1ccccc1C)C(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001596371824 983873778 /nfs/dbraw/zinc/87/37/78/983873778.db2.gz OMSYLBFALKJTDP-NQIIRXRSSA-N -1 0 337.419 3.602 20 0 EHADRM CCNc1nc(S[C@@H](C(=O)[O-])c2ccccc2)nc2ccccc21 ZINC001596505243 984262809 /nfs/dbraw/zinc/26/28/09/984262809.db2.gz PAEGAUKZGTVSBA-OAHLLOKOSA-N -1 0 339.420 3.980 20 0 EHADRM CCOC(=O)C(C)(C)CCC[C@H](C)Nc1cccc(CC(=O)[O-])c1 ZINC001596512286 984284738 /nfs/dbraw/zinc/28/47/38/984284738.db2.gz LEGSVQWUUJFHAK-AWEZNQCLSA-N -1 0 335.444 3.874 20 0 EHADRM C/C(=C\C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1)c1ccccc1C ZINC001588932767 984609936 /nfs/dbraw/zinc/60/99/36/984609936.db2.gz JZBFUKNRSVGSOW-UKTHLTGXSA-N -1 0 327.380 3.657 20 0 EHADRM C/C(=C\C(=O)N1CCCC[C@H]1c1ccc(C(=O)[O-])n1C)C(C)(C)C ZINC001588937847 984619849 /nfs/dbraw/zinc/61/98/49/984619849.db2.gz VNBYGNVCIPWHQQ-LHNRBYRGSA-N -1 0 332.444 3.769 20 0 EHADRM C/C(=C/C(=O)N1c2ccccc2C[C@H](C)[C@@H]1C(=O)[O-])c1cccs1 ZINC001588938953 984625840 /nfs/dbraw/zinc/62/58/40/984625840.db2.gz IRFZKXWFURILBL-MGLNXGDKSA-N -1 0 341.432 3.830 20 0 EHADRM C/C(=C\C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-])c1ccc(F)cc1 ZINC001588939646 984630882 /nfs/dbraw/zinc/63/08/82/984630882.db2.gz ZKIDAFUFAHVFHK-QSOAKEGCSA-N -1 0 333.403 3.626 20 0 EHADRM C/C(=C/C(=O)Nc1cc(CCC(=O)[O-])ccc1O)c1cccs1 ZINC001588943940 984642724 /nfs/dbraw/zinc/64/27/24/984642724.db2.gz JUXOYYIOCGXUHS-LUAWRHEFSA-N -1 0 331.393 3.513 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)CCSc1ccccc1 ZINC001599887345 984652337 /nfs/dbraw/zinc/65/23/37/984652337.db2.gz XMFXBCPECOAHSN-OAHLLOKOSA-N -1 0 343.448 3.671 20 0 EHADRM C/C(=C/C(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccccc1C ZINC001588947536 984660409 /nfs/dbraw/zinc/66/04/09/984660409.db2.gz YYXJKTKPIZZIIB-UVTDQMKNSA-N -1 0 325.364 3.500 20 0 EHADRM C[C@H](NC(=O)c1cc(C(=O)[O-])ccn1)c1cc(Cl)ccc1Cl ZINC001599899500 984795036 /nfs/dbraw/zinc/79/50/36/984795036.db2.gz IWVQCKQJJUTSDC-QMMMGPOBSA-N -1 0 339.178 3.578 20 0 EHADRM C/C(=C/c1ccccc1Cl)C(=O)NCCc1ccccc1C(=O)[O-] ZINC001589003499 984953043 /nfs/dbraw/zinc/95/30/43/984953043.db2.gz BSPMVUFAZDATHP-SEYXRHQNSA-N -1 0 343.810 3.800 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccccc2SC(F)F)C[C@]1(C)C(=O)[O-] ZINC001599922996 985162677 /nfs/dbraw/zinc/16/26/77/985162677.db2.gz MVKDHEVMERTPPS-VFZGTOFNSA-N -1 0 344.383 3.576 20 0 EHADRM CCO[C@H](C)c1ncc(C(=O)Nc2ccc(C(=O)[O-])cc2CC)s1 ZINC001596776917 985217926 /nfs/dbraw/zinc/21/79/26/985217926.db2.gz RJHUOMLLRQHMNG-SNVBAGLBSA-N -1 0 348.424 3.754 20 0 EHADRM CCO[C@H](c1noc(-c2ccc(C(=O)[O-])c(F)c2)n1)c1ccccc1 ZINC001596789297 985256392 /nfs/dbraw/zinc/25/63/92/985256392.db2.gz BBPJQEFSYIXWHZ-HNNXBMFYSA-N -1 0 342.326 3.700 20 0 EHADRM CCO[C@@H](c1noc(Cc2ccc(C(=O)[O-])cc2)n1)C1CCCC1 ZINC001596791347 985274149 /nfs/dbraw/zinc/27/41/49/985274149.db2.gz SWSWQCGCLFRIDS-MRXNPFEDSA-N -1 0 330.384 3.626 20 0 EHADRM C[C@]1(c2ccccc2)C[C@H]1C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1 ZINC001599938244 985422978 /nfs/dbraw/zinc/42/29/78/985422978.db2.gz CSODYYNHZWQMCX-KPZWWZAWSA-N -1 0 342.420 3.635 20 0 EHADRM CCO[C@H]1C[C@H](NC(=O)Nc2cc(C(=O)[O-])ccc2C)C1(CC)CC ZINC001596823119 985423566 /nfs/dbraw/zinc/42/35/66/985423566.db2.gz OMKUEVYYEZYRKR-HOTGVXAUSA-N -1 0 348.443 3.799 20 0 EHADRM CC[C@@H](C)c1nc(C)c(CC(=O)Nc2ccc(F)c(F)c2[O-])c(C)n1 ZINC000655140950 1015130580 /nfs/dbraw/zinc/13/05/80/1015130580.db2.gz DRJGIQCOYPIJFT-SECBINFHSA-N -1 0 349.381 3.772 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CC(C)(C)C1 ZINC001594478552 985505479 /nfs/dbraw/zinc/50/54/79/985505479.db2.gz OOLQPYWROZBVNH-VIFPVBQESA-N -1 0 326.343 3.563 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cc(C(=O)[O-])ccc2F)[C@@H]1c1ccccc1 ZINC001594479157 985511699 /nfs/dbraw/zinc/51/16/99/985511699.db2.gz UCUKIAXOVVSJNF-ZBEGNZNMSA-N -1 0 328.343 3.749 20 0 EHADRM Cc1[nH]c(C(=O)CN[C@@H](c2ccccc2F)C(C)C)c(C)c1C(=O)[O-] ZINC001599946195 985531876 /nfs/dbraw/zinc/53/18/76/985531876.db2.gz AZDYFMRZLYJDCR-QGZVFWFLSA-N -1 0 346.402 3.638 20 0 EHADRM CC(=O)Nc1cc(Cl)ccc1NC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001589179626 985551486 /nfs/dbraw/zinc/55/14/86/985551486.db2.gz UBUXJGUNBDXGEJ-UHFFFAOYSA-N -1 0 346.770 3.557 20 0 EHADRM CC(=O)Nc1ccc(Cl)cc1NC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001589194569 985609125 /nfs/dbraw/zinc/60/91/25/985609125.db2.gz FUGVWTYDWCYJHZ-UHFFFAOYSA-N -1 0 346.770 3.557 20 0 EHADRM Cc1[nH]c(C(=O)N2C[C@H](C)CC[C@H]2c2ccccc2)c(C)c1C(=O)[O-] ZINC001599951280 985611569 /nfs/dbraw/zinc/61/15/69/985611569.db2.gz PRGBIIVBOMRLPV-WBMJQRKESA-N -1 0 340.423 3.943 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccccc2SCc2occc2C(=O)[O-])[C@H]1C ZINC001594494048 985623634 /nfs/dbraw/zinc/62/36/34/985623634.db2.gz JKPJCKLQDTXTIK-NEPJUHHUSA-N -1 0 345.420 3.751 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCC[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001599955494 985681829 /nfs/dbraw/zinc/68/18/29/985681829.db2.gz PLTAXYJNWIYFPX-BXUZGUMPSA-N -1 0 334.460 3.912 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 ZINC001599956770 985701977 /nfs/dbraw/zinc/70/19/77/985701977.db2.gz PYVAKFSQVRIVLR-UHFFFAOYSA-N -1 0 342.395 3.811 20 0 EHADRM CC(=O)Nc1cccc(NC(=S)Nc2scc(C)c2C(=O)[O-])c1 ZINC001589212126 985706293 /nfs/dbraw/zinc/70/62/93/985706293.db2.gz UFUAVHCFNWICCD-UHFFFAOYSA-N -1 0 349.437 3.522 20 0 EHADRM O=S(=O)([N-]c1nc(C2CC2)cs1)c1c(F)cccc1Cl ZINC000153451211 1125494094 /nfs/dbraw/zinc/49/40/94/1125494094.db2.gz SWQOJYLESNMQHG-UHFFFAOYSA-N -1 0 332.809 3.614 20 0 EHADRM CC(=O)[C@@H]1C[C@H](C(=O)O[C@H]2CCCc3cc(C(=O)[O-])ccc32)C1(C)C ZINC001589231123 985785013 /nfs/dbraw/zinc/78/50/13/985785013.db2.gz UJOAKMYJZXJFLZ-BBWFWOEESA-N -1 0 344.407 3.557 20 0 EHADRM Cc1[nH]c(CNc2ccc(N(C)C)c(C(F)(F)F)c2)cc1C(=O)[O-] ZINC001599963959 985859318 /nfs/dbraw/zinc/85/93/18/985859318.db2.gz UQIUXKCYZFOAIZ-UHFFFAOYSA-N -1 0 341.333 3.718 20 0 EHADRM Cc1[nH]c(CN2CCOc3c2cccc3C(C)(C)C)cc1C(=O)[O-] ZINC001599964531 985873314 /nfs/dbraw/zinc/87/33/14/985873314.db2.gz MFQGJFRNIINBBW-UHFFFAOYSA-N -1 0 328.412 3.718 20 0 EHADRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@H](CC(=O)[O-])C(C)(C)C ZINC001599966011 985907755 /nfs/dbraw/zinc/90/77/55/985907755.db2.gz CGNQXEFGGFYZED-CYBMUJFWSA-N -1 0 336.819 3.749 20 0 EHADRM CC(=O)c1cc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2Cl)ccc1C ZINC001589267901 985950331 /nfs/dbraw/zinc/95/03/31/985950331.db2.gz JGOUDSSQNLMBCT-MRXNPFEDSA-N -1 0 346.766 3.834 20 0 EHADRM CC(=O)c1cc(F)c(NC(=O)CC2(CC(=O)[O-])CCCC2)c(F)c1 ZINC001589267964 985951791 /nfs/dbraw/zinc/95/17/91/985951791.db2.gz LYKUGIMLBNMWQX-UHFFFAOYSA-N -1 0 339.338 3.531 20 0 EHADRM CC(=O)c1cc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2Cl)cs1 ZINC001589268532 985954294 /nfs/dbraw/zinc/95/42/94/985954294.db2.gz SVQUWCRSEFEACS-CYBMUJFWSA-N -1 0 338.768 3.587 20 0 EHADRM CC(=O)c1ccc(OCC(=O)c2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC001589291185 986036514 /nfs/dbraw/zinc/03/65/14/986036514.db2.gz XBMLOCFRLRGMFK-UHFFFAOYSA-N -1 0 332.739 3.503 20 0 EHADRM CC(=O)c1ccc(NC(=O)CCc2ccc(C(=O)[O-])cc2)cc1Cl ZINC001589300688 986055421 /nfs/dbraw/zinc/05/54/21/986055421.db2.gz NPBBOSQROXKYCZ-UHFFFAOYSA-N -1 0 345.782 3.812 20 0 EHADRM Cc1c2cccc(Cl)c2[nH]c1C(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC001599982771 986186637 /nfs/dbraw/zinc/18/66/37/986186637.db2.gz AKGAVQMNUPLDDP-UHFFFAOYSA-N -1 0 344.754 3.786 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001599983995 986205039 /nfs/dbraw/zinc/20/50/39/986205039.db2.gz MVTRAROGSIAFMP-UHFFFAOYSA-N -1 0 330.340 3.694 20 0 EHADRM CCOc1c(F)cccc1-c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC001596992418 986275332 /nfs/dbraw/zinc/27/53/32/986275332.db2.gz GPEIIUIHIDBOEI-UHFFFAOYSA-N -1 0 328.299 3.640 20 0 EHADRM CCOc1c(Cl)cccc1Cc1nc(-c2cc(C(=O)[O-])co2)no1 ZINC001596992828 986279128 /nfs/dbraw/zinc/27/91/28/986279128.db2.gz PVDVBBJUYQNRSJ-UHFFFAOYSA-N -1 0 348.742 3.671 20 0 EHADRM CCOc1cc(Br)c(F)cc1N[C@@H]1CC[C@@H](C(=O)[O-])C1 ZINC001596993439 986283628 /nfs/dbraw/zinc/28/36/28/986283628.db2.gz BATRCGWLXGTFGO-RKDXNWHRSA-N -1 0 346.196 3.652 20 0 EHADRM COc1cc(C)c(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)cc1F ZINC000274797703 1015207495 /nfs/dbraw/zinc/20/74/95/1015207495.db2.gz NWQRUTLOORQPQL-IBGZPJMESA-N -1 0 345.370 3.514 20 0 EHADRM Cc1ccc(-c2nc(C[N@H+]3C[C@@H](C(=O)[O-])CC[C@H]3C)cs2)cc1 ZINC000263521902 1125495859 /nfs/dbraw/zinc/49/58/59/1125495859.db2.gz RIMQPPSANQHSJR-HIFRSBDPSA-N -1 0 330.453 3.804 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NC1(c2ccccc2)CC1 ZINC001597020524 986401478 /nfs/dbraw/zinc/40/14/78/986401478.db2.gz DWWJKZNBEIAAQT-UHFFFAOYSA-N -1 0 340.379 3.594 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(Cl)s1 ZINC001597024636 986428932 /nfs/dbraw/zinc/42/89/32/986428932.db2.gz BLXITDSZZFEXQU-UHFFFAOYSA-N -1 0 325.773 3.751 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)Cc1ccccc1 ZINC001597023195 986429144 /nfs/dbraw/zinc/42/91/44/986429144.db2.gz ZBNMDVGPCVSJKW-CYBMUJFWSA-N -1 0 327.380 3.601 20 0 EHADRM C[C@H](C(=O)N[C@H](C(=O)[O-])c1ccsc1)c1ccc(Cl)s1 ZINC001589378129 986439712 /nfs/dbraw/zinc/43/97/12/986439712.db2.gz CBLXVUWGACMMFJ-CPCISQLKSA-N -1 0 329.830 3.509 20 0 EHADRM CCOc1cc(C=C(C(=O)[O-])c2ccc3cc[nH]c3n2)ccc1OC ZINC001597033477 986463682 /nfs/dbraw/zinc/46/36/82/986463682.db2.gz XAVGZBJQWVBUNG-GXDHUFHOSA-N -1 0 338.363 3.595 20 0 EHADRM O=S(=O)(Nc1ccc2nccnc2c1)c1ccc2ccccc2c1 ZINC000047211525 1015234739 /nfs/dbraw/zinc/23/47/39/1015234739.db2.gz ARRFKMSYBMSYLG-UHFFFAOYSA-N -1 0 335.388 3.584 20 0 EHADRM C[C@@H]1Cc2cc(Cl)ccc2N1C(=O)c1cccc(CC(=O)[O-])c1 ZINC001594616900 986637380 /nfs/dbraw/zinc/63/73/80/986637380.db2.gz YNAAIPROAVWWEW-LLVKDONJSA-N -1 0 329.783 3.559 20 0 EHADRM C[C@@H]1Cc2cc(NC(=O)NCCCCC3(C(=O)[O-])CCC3)ccc2O1 ZINC001594619310 986649819 /nfs/dbraw/zinc/64/98/19/986649819.db2.gz ZIQYLJMUQBYMPY-CYBMUJFWSA-N -1 0 346.427 3.557 20 0 EHADRM C[C@H](C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])c1c(Cl)cccc1Cl ZINC001589423944 986685251 /nfs/dbraw/zinc/68/52/51/986685251.db2.gz OVUDSIMNBZAFTA-OUJBWJOFSA-N -1 0 344.238 3.857 20 0 EHADRM C[C@@H](C(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1ccc(F)cc1F ZINC001589430477 986718436 /nfs/dbraw/zinc/71/84/36/986718436.db2.gz SUMPSSGOGDYMNK-SSDOTTSWSA-N -1 0 341.260 3.683 20 0 EHADRM C[C@H](C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1)c1cccc(O)c1 ZINC001589430869 986722404 /nfs/dbraw/zinc/72/24/04/986722404.db2.gz WYHZTJJSLWVYFR-QMMMGPOBSA-N -1 0 337.734 3.625 20 0 EHADRM CCOc1ccc(NC(=O)C2CCC(F)(F)CC2)c(C(=O)[O-])c1F ZINC001597112415 986777381 /nfs/dbraw/zinc/77/73/81/986777381.db2.gz MZZNCROKMLQREX-UHFFFAOYSA-N -1 0 345.317 3.687 20 0 EHADRM CCOc1ccc(NC(=O)C[C@H](CC)C(C)C)c(C(=O)[O-])c1F ZINC001597113719 986788614 /nfs/dbraw/zinc/78/86/14/986788614.db2.gz VXKWTDYFSHKKQT-NSHDSACASA-N -1 0 325.380 3.933 20 0 EHADRM C[C@@H](C(=O)Nc1cccc2cc(C(=O)[O-])sc21)C(=O)OC(C)(C)C ZINC001589444994 986806623 /nfs/dbraw/zinc/80/66/23/986806623.db2.gz LYQXJQRUIRZVTM-VIFPVBQESA-N -1 0 349.408 3.516 20 0 EHADRM C[C@H]1OCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1C(=O)[O-] ZINC001594643517 986820382 /nfs/dbraw/zinc/82/03/82/986820382.db2.gz HCMJFBRCALCCOD-IUODEOHRSA-N -1 0 341.363 3.541 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)[C@H](F)CC1CCCCC1)c1ccccc1 ZINC001589455304 986894562 /nfs/dbraw/zinc/89/45/62/986894562.db2.gz XQLYGRFLZXMOCH-XKQJLSEDSA-N -1 0 335.419 3.873 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Nc1ccc(C(F)F)nc1)c1ccccc1 ZINC001589458498 986903216 /nfs/dbraw/zinc/90/32/16/986903216.db2.gz ORZHMQYODCSDJN-QMTHXVAHSA-N -1 0 349.337 3.603 20 0 EHADRM CCOc1cccc(/C=C/C(=O)Nc2c(CC)cccc2C(=O)[O-])c1 ZINC001597150659 986929414 /nfs/dbraw/zinc/92/94/14/986929414.db2.gz SFGHFAQVCJYFEE-VAWYXSNFSA-N -1 0 339.391 3.998 20 0 EHADRM CCOc1cccc(Cl)c1COc1ccc(C(=O)[O-])cc1C=O ZINC001597159193 986959276 /nfs/dbraw/zinc/95/92/76/986959276.db2.gz CDBPHZNHAUIVEH-UHFFFAOYSA-N -1 0 334.755 3.828 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)c1ccc([C@@H](C)C(F)(F)F)cc1)C1CCC1 ZINC001589476575 986975884 /nfs/dbraw/zinc/97/58/84/986975884.db2.gz CJJSEPDLUBVKSJ-GHMZBOCLSA-N -1 0 343.345 3.820 20 0 EHADRM C[C@@H]1c2ccccc2CCN1c1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001594668985 986977020 /nfs/dbraw/zinc/97/70/20/986977020.db2.gz WRKIHRFDNXTDOQ-SNVBAGLBSA-N -1 0 336.313 3.922 20 0 EHADRM CCOc1ccc(NC(=O)c2ccccc2OCC)c(C(=O)[O-])c1F ZINC001597168610 986998593 /nfs/dbraw/zinc/99/85/93/986998593.db2.gz XWYZYIQHPMNWJY-UHFFFAOYSA-N -1 0 347.342 3.574 20 0 EHADRM C/C=C(/CC)C(=O)OCc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001594676936 987009645 /nfs/dbraw/zinc/00/96/45/987009645.db2.gz UMAFELGRHLETFH-JYOAFUTRSA-N -1 0 331.393 3.908 20 0 EHADRM CCOc1ccccc1CCC(=O)OCc1ccsc1C(=O)[O-] ZINC001597174012 987023177 /nfs/dbraw/zinc/02/31/77/987023177.db2.gz WQPGFMBMYBNUPS-UHFFFAOYSA-N -1 0 334.393 3.521 20 0 EHADRM C/C=C/COc1cccc(CC(=O)Nc2sc(C)cc2C(=O)[O-])c1 ZINC001594689387 987075439 /nfs/dbraw/zinc/07/54/39/987075439.db2.gz QNBRCENKXCEDCN-ONEGZZNKSA-N -1 0 345.420 3.891 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)CCc2ccc(F)cc2F)cc1 ZINC001589503274 987107078 /nfs/dbraw/zinc/10/70/78/987107078.db2.gz BLHSMVFSVHFKLV-LLVKDONJSA-N -1 0 333.334 3.724 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CCC[C@H](C3CCC3)C2)cc1 ZINC001589509789 987133086 /nfs/dbraw/zinc/13/30/86/987133086.db2.gz QSLXECLGZNQRKQ-CJNGLKHVSA-N -1 0 330.428 3.919 20 0 EHADRM CCC(=O)c1ccc(NC(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC001594716741 987189780 /nfs/dbraw/zinc/18/97/80/987189780.db2.gz CMNUIRIYIOXINX-ZDUSSCGKSA-N -1 0 346.408 3.678 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC[C@H](O)Cc2cccc(Cl)c2)c1 ZINC001589531930 987208275 /nfs/dbraw/zinc/20/82/75/987208275.db2.gz LEUAUJDACWBLKB-YVEFUNNKSA-N -1 0 333.815 3.544 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)CCc2ccc3[nH]ccc3c2)c1 ZINC001589533213 987223480 /nfs/dbraw/zinc/22/34/80/987223480.db2.gz JIPADTRTWRPDAY-CYBMUJFWSA-N -1 0 336.391 3.927 20 0 EHADRM CC[C@@H](C(=O)N(C)c1nc(CC(=O)[O-])cs1)C1CCC(C)CC1 ZINC001594725507 987232123 /nfs/dbraw/zinc/23/21/23/987232123.db2.gz YOBQCETYZMNKBO-ORHYLEIMSA-N -1 0 338.473 3.586 20 0 EHADRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1)c1ccc(F)cc1 ZINC001594728345 987233921 /nfs/dbraw/zinc/23/39/21/987233921.db2.gz DWUYZBLAZPMKJQ-IRXDYDNUSA-N -1 0 347.361 3.791 20 0 EHADRM CC[C@H](C(=O)NC(C)(C)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001594728515 987234954 /nfs/dbraw/zinc/23/49/54/987234954.db2.gz GIMCBHQKMKDJDF-LBPRGKRZSA-N -1 0 331.334 3.569 20 0 EHADRM C[C@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1)C(C)(F)F ZINC001589540483 987244034 /nfs/dbraw/zinc/24/40/34/987244034.db2.gz KSOATYMTKBWPRN-LHLIQPBNSA-N -1 0 341.137 3.954 20 0 EHADRM CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2cc(C(=O)[O-])sc2C)C1 ZINC001597257492 987262715 /nfs/dbraw/zinc/26/27/15/987262715.db2.gz ZCACWGTWDTXKLO-GHMZBOCLSA-N -1 0 342.486 3.893 20 0 EHADRM CCS[C@H]1CC[C@H](N(C)C(=O)Nc2cc(C(=O)[O-])sc2C)C1 ZINC001597257494 987262960 /nfs/dbraw/zinc/26/29/60/987262960.db2.gz ZCACWGTWDTXKLO-QWRGUYRKSA-N -1 0 342.486 3.893 20 0 EHADRM CC[C@@H](C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1)c1c(C)noc1C ZINC001594735105 987266416 /nfs/dbraw/zinc/26/64/16/987266416.db2.gz IAKTUXBVVDWLTA-MEBBXXQBSA-N -1 0 330.384 3.612 20 0 EHADRM C[C@H](C(=O)Oc1ccc(N(C)C)c(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001589552935 987288329 /nfs/dbraw/zinc/28/83/29/987288329.db2.gz KDGLLUAQMBCUBZ-NSHDSACASA-N -1 0 347.798 3.813 20 0 EHADRM CCSCc1cccnc1NCc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC001597267429 987302680 /nfs/dbraw/zinc/30/26/80/987302680.db2.gz JDVQUENKGBHCLK-CYBMUJFWSA-N -1 0 346.452 3.799 20 0 EHADRM CCSc1ccc(CC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001597273132 987326351 /nfs/dbraw/zinc/32/63/51/987326351.db2.gz RMJUSJKWGWJBGH-UHFFFAOYSA-N -1 0 333.384 3.817 20 0 EHADRM CCSc1ccccc1CC(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC001597279117 987340230 /nfs/dbraw/zinc/34/02/30/987340230.db2.gz DEIAEYLLWHXYFK-MRXNPFEDSA-N -1 0 349.496 3.738 20 0 EHADRM CCSc1ccccc1C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001597280071 987349370 /nfs/dbraw/zinc/34/93/70/987349370.db2.gz XDOPRMKEOYWUOZ-CQSZACIVSA-N -1 0 335.469 3.810 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)Nc3ccc4[nH]cnc4c3)c([O-])c2)o1 ZINC001625807258 1015305243 /nfs/dbraw/zinc/30/52/43/1015305243.db2.gz UKLZCNQTOHHFCJ-UHFFFAOYSA-N -1 0 347.330 3.593 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1coc(C2CCC2)n1)c1ccccc1 ZINC001589601573 987428569 /nfs/dbraw/zinc/42/85/69/987428569.db2.gz OAVHWXZLTHQLIH-OAHLLOKOSA-N -1 0 342.395 3.524 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]([NH2+]Cc1ccc([O-])c(F)c1F)c1ccccc1 ZINC001589602266 987430960 /nfs/dbraw/zinc/43/09/60/987430960.db2.gz WIRLNHUCWCUJQQ-MRXNPFEDSA-N -1 0 335.350 3.612 20 0 EHADRM CCc1[nH]c(C(=O)N(CC2CC2)c2cccc(F)c2)c(C)c1C(=O)[O-] ZINC001597358044 987512385 /nfs/dbraw/zinc/51/23/85/987512385.db2.gz SSGZVOGZGWIMLB-UHFFFAOYSA-N -1 0 344.386 3.780 20 0 EHADRM CCc1[nH]c(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC001597386651 987606495 /nfs/dbraw/zinc/60/64/95/987606495.db2.gz YZFDLSWDGNIQNG-GXTWGEPZSA-N -1 0 346.814 3.523 20 0 EHADRM CC(C)(C)C(=O)c1ccsc1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001589699624 987786840 /nfs/dbraw/zinc/78/68/40/987786840.db2.gz NGRQQEQPWMLKON-WDEREUQCSA-N -1 0 337.441 3.806 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2cnn(C(C)C)c2Cl)s1 ZINC001597445617 987818366 /nfs/dbraw/zinc/81/83/66/987818366.db2.gz QFJFJNGSEZYFAD-UHFFFAOYSA-N -1 0 341.820 3.692 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1CCOc2c(F)cccc21 ZINC001597449904 987836444 /nfs/dbraw/zinc/83/64/44/987836444.db2.gz MYKKJICZUATNPQ-AWEZNQCLSA-N -1 0 343.354 3.591 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N(CCOC)[C@@H]1CC[C@@H](C)C1 ZINC001597454102 987859128 /nfs/dbraw/zinc/85/91/28/987859128.db2.gz YSDATUUIIMSZEI-CZUORRHYSA-N -1 0 348.443 3.616 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC001597454069 987859449 /nfs/dbraw/zinc/85/94/49/987859449.db2.gz XZFAQFQAVLNPBE-JOYOIKCWSA-N -1 0 344.333 3.752 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(NC)cc1Cl ZINC001597463996 987896309 /nfs/dbraw/zinc/89/63/09/987896309.db2.gz KPIVNYCHFIHPPF-UHFFFAOYSA-N -1 0 332.787 3.895 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)Nc1cc(OC)cc(OC)c1 ZINC001597464347 987896315 /nfs/dbraw/zinc/89/63/15/987896315.db2.gz IEWJJOVYVPMQTQ-UHFFFAOYSA-N -1 0 344.367 3.608 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cc2ccncc2s1 ZINC001597465356 987903598 /nfs/dbraw/zinc/90/35/98/987903598.db2.gz UYGKOIAQOWWACJ-UHFFFAOYSA-N -1 0 326.377 3.809 20 0 EHADRM CS[C@H](C)CCC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC001599785133 987908211 /nfs/dbraw/zinc/90/82/11/987908211.db2.gz YSNHKMNXNIHUCN-MFKMUULPSA-N -1 0 329.849 3.504 20 0 EHADRM CC(C)(C)C1CC(NC(=O)Nc2cc(C(=O)[O-])cc3cccnc32)C1 ZINC001589727199 987922398 /nfs/dbraw/zinc/92/23/98/987922398.db2.gz XZWBWSIDDTVVKD-UHFFFAOYSA-N -1 0 341.411 3.879 20 0 EHADRM CC(C)(C)[C@H]1CCN(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)C1 ZINC001589733043 987972581 /nfs/dbraw/zinc/97/25/81/987972581.db2.gz WWTRBLSTKDKCPF-AWEZNQCLSA-N -1 0 341.411 3.833 20 0 EHADRM CS[C@H]1CCC[C@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2C)C1 ZINC001599789140 987976596 /nfs/dbraw/zinc/97/65/96/987976596.db2.gz QQXWJNLUWSSEPX-QWRGUYRKSA-N -1 0 340.420 3.628 20 0 EHADRM CCc1ccc(-c2cc(C(=O)N[C@H](CC(C)(C)C)C(=O)[O-])no2)cc1 ZINC001597489247 988009389 /nfs/dbraw/zinc/00/93/89/988009389.db2.gz FLUHRCCEWMKPDR-OAHLLOKOSA-N -1 0 344.411 3.523 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)/C=C/c1ccc(F)c2ccccc12)C(=O)[O-] ZINC001589743113 988021357 /nfs/dbraw/zinc/02/13/57/988021357.db2.gz DDAHMXOKCWDONY-KAMXEHQASA-N -1 0 343.398 3.998 20 0 EHADRM CSCC1(CC(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)CC1 ZINC001599793475 988051056 /nfs/dbraw/zinc/05/10/56/988051056.db2.gz KHQKAPDEUCHTCC-HNNXBMFYSA-N -1 0 341.517 3.840 20 0 EHADRM CSCC1(CC(=O)N[C@H](C(=O)[O-])c2cccc3ccccc32)CC1 ZINC001599793653 988055129 /nfs/dbraw/zinc/05/51/29/988055129.db2.gz URXUTVIKNPOSQT-KRWDZBQOSA-N -1 0 343.448 3.615 20 0 EHADRM CC(C)(C)C[C@H](Nc1nn2cc(C3CCCC3)nc2s1)C(=O)[O-] ZINC001589757180 988071253 /nfs/dbraw/zinc/07/12/53/988071253.db2.gz NVHGEJUXFCXNSO-NSHDSACASA-N -1 0 336.461 3.750 20 0 EHADRM CC(C)(C)C[C@H]1CCN(C(=O)Nc2cccc(C(=O)[O-])n2)C1(C)C ZINC001589764689 988106608 /nfs/dbraw/zinc/10/66/08/988106608.db2.gz SEMAVTYGVGJJOM-GFCCVEGCSA-N -1 0 333.432 3.848 20 0 EHADRM CC(C)(C)CC[C@@H](NCc1ccoc1C(=O)[O-])C(=O)OC(C)(C)C ZINC001589767205 988121709 /nfs/dbraw/zinc/12/17/09/988121709.db2.gz YKXBOBIAVVVXJO-CYBMUJFWSA-N -1 0 339.432 3.604 20 0 EHADRM CCc1ccc(C2CCN(C(=O)c3cccc(C(=O)[O-])c3)CC2)cc1 ZINC001597517774 988134248 /nfs/dbraw/zinc/13/42/48/988134248.db2.gz PFDHGDLSIPOZAY-UHFFFAOYSA-N -1 0 337.419 3.967 20 0 EHADRM CC(C)(C)CCS(=O)(=O)Oc1c(C(=O)[O-])ccc2ccccc21 ZINC001589780113 988148170 /nfs/dbraw/zinc/14/81/70/988148170.db2.gz LOBHYNYRZOGKLY-UHFFFAOYSA-N -1 0 336.409 3.683 20 0 EHADRM CCc1ccc(CC)c(C(=O)COc2ccc(C(=O)[O-])cc2OC)c1 ZINC001597521289 988155838 /nfs/dbraw/zinc/15/58/38/988155838.db2.gz OCCHHVVJJULHCA-UHFFFAOYSA-N -1 0 342.391 3.780 20 0 EHADRM CSCCCCCCNC(=S)Nc1cc(C(=O)[O-])ccc1C ZINC001599799971 988159829 /nfs/dbraw/zinc/15/98/29/988159829.db2.gz UQHBSTOQRXVJES-UHFFFAOYSA-N -1 0 340.514 3.903 20 0 EHADRM CCc1ccc(CC)c(NC(=O)N[C@@H](CC(=O)[O-])C2CCCC2)c1 ZINC001597523574 988160534 /nfs/dbraw/zinc/16/05/34/988160534.db2.gz WODFMYQDAIXTQY-KRWDZBQOSA-N -1 0 332.444 3.966 20 0 EHADRM CSCc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)cc1 ZINC001599802553 988200744 /nfs/dbraw/zinc/20/07/44/988200744.db2.gz RRWOXQMNTSFXGW-MRXNPFEDSA-N -1 0 347.411 3.553 20 0 EHADRM CSCc1cccnc1C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC001599804169 988227180 /nfs/dbraw/zinc/22/71/80/988227180.db2.gz FNDHVMFAMRGMRP-UHFFFAOYSA-N -1 0 348.449 3.834 20 0 EHADRM CCc1ccc(NC(=O)[C@@H]2CCc3cc(C)ccc3O2)c(C(=O)[O-])c1 ZINC001597542459 988230572 /nfs/dbraw/zinc/23/05/72/988230572.db2.gz CLRCTXWOHHHBEA-SFHVURJKSA-N -1 0 339.391 3.588 20 0 EHADRM CCc1ccc(NC(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])cc1C ZINC001597546950 988254732 /nfs/dbraw/zinc/25/47/32/988254732.db2.gz NIVVYRMAXDZSRQ-MRXNPFEDSA-N -1 0 332.444 3.960 20 0 EHADRM CCc1ccc(NC(=O)c2ccnc(-c3ccco3)c2)c(C(=O)[O-])c1 ZINC001597550962 988270286 /nfs/dbraw/zinc/27/02/86/988270286.db2.gz QYVBYISAJXZAMY-UHFFFAOYSA-N -1 0 336.347 3.855 20 0 EHADRM CSc1cc(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)ccc1F ZINC001599806958 988271943 /nfs/dbraw/zinc/27/19/43/988271943.db2.gz BMCNSTYVCQJXRP-UHFFFAOYSA-N -1 0 341.310 3.776 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001599808843 988299374 /nfs/dbraw/zinc/29/93/74/988299374.db2.gz NUXLBTQXDGLZDU-UHFFFAOYSA-N -1 0 338.816 3.957 20 0 EHADRM CSc1cc2c(cc1N[C@H](C)CC(C)(C)CC(=O)[O-])OCCO2 ZINC001599809359 988307902 /nfs/dbraw/zinc/30/79/02/988307902.db2.gz DYTBEEINOJATCV-LLVKDONJSA-N -1 0 339.457 3.871 20 0 EHADRM CSc1ccc(-c2csc(NC(=O)[C@H]3C[C@@H](C(=O)[O-])C3)n2)cc1 ZINC001599809453 988308374 /nfs/dbraw/zinc/30/83/74/988308374.db2.gz GSOBEHGFSHNEOI-PHIMTYICSA-N -1 0 348.449 3.581 20 0 EHADRM CCc1ccc([C@H](C)NC(=O)Nc2cc(C(=O)[O-])cnc2Cl)cc1 ZINC001597563506 988315937 /nfs/dbraw/zinc/31/59/37/988315937.db2.gz OWMOBEYGARMNRN-JTQLQIEISA-N -1 0 347.802 3.878 20 0 EHADRM CSc1cc(NC(=O)NCc2ccccc2CC(=O)[O-])ccc1C ZINC001599809955 988316081 /nfs/dbraw/zinc/31/60/81/988316081.db2.gz WMKNYHGFHXYEND-UHFFFAOYSA-N -1 0 344.436 3.666 20 0 EHADRM CSc1cc(NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])ccn1 ZINC001599809939 988316777 /nfs/dbraw/zinc/31/67/77/988316777.db2.gz VEQRWXAGLMEJCE-SNVBAGLBSA-N -1 0 348.449 3.621 20 0 EHADRM CSc1ccc(C(=O)OCc2c(F)cc(C(=O)[O-])cc2F)cc1 ZINC001599810075 988319188 /nfs/dbraw/zinc/31/91/88/988319188.db2.gz CVWBTXGYKDXJTE-UHFFFAOYSA-N -1 0 338.331 3.742 20 0 EHADRM CSc1ccc(C(=O)O[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])o1 ZINC001599810201 988320901 /nfs/dbraw/zinc/32/09/01/988320901.db2.gz KLKOABVISFZNLM-LBPRGKRZSA-N -1 0 340.784 3.508 20 0 EHADRM CCc1ccc2ccccc2c1CNC(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001597568309 988323013 /nfs/dbraw/zinc/32/30/13/988323013.db2.gz DZHRBHBSSUFWQB-UHFFFAOYSA-N -1 0 337.375 3.932 20 0 EHADRM CCc1ccc2occ(C(=O)NCC3(C(=O)[O-])CCCCC3)c2c1 ZINC001597570687 988349554 /nfs/dbraw/zinc/34/95/54/988349554.db2.gz YIXIEOZYZYGLGV-UHFFFAOYSA-N -1 0 329.396 3.760 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)[C@H]1CSc2ccccc21 ZINC001597574100 988360584 /nfs/dbraw/zinc/36/05/84/988360584.db2.gz ZCYOPEZMQYDTDG-AWEZNQCLSA-N -1 0 327.405 3.775 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)N1CCC(CC(=O)[O-])CC1 ZINC001599814074 988389479 /nfs/dbraw/zinc/38/94/79/988389479.db2.gz FMKIJHOFMLACIC-UHFFFAOYSA-N -1 0 342.848 3.781 20 0 EHADRM CCc1cccc(CN2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)c1 ZINC001597586552 988404982 /nfs/dbraw/zinc/40/49/82/988404982.db2.gz HLEKFZDCDBWMQZ-UHFFFAOYSA-N -1 0 334.419 3.987 20 0 EHADRM CSc1ccc(NC(=O)CCOc2ccccc2F)cc1C(=O)[O-] ZINC001599815650 988419360 /nfs/dbraw/zinc/41/93/60/988419360.db2.gz QCICZNBLBNWOSR-UHFFFAOYSA-N -1 0 349.383 3.653 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cnc([C@@H]2CCCO2)s1 ZINC001597594177 988431116 /nfs/dbraw/zinc/43/11/16/988431116.db2.gz OAZFMECYPBHWKA-LBPRGKRZSA-N -1 0 346.408 3.508 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cc2cccc(OC)c2o1 ZINC001597595085 988437077 /nfs/dbraw/zinc/43/70/77/988437077.db2.gz ZQRBUBQMRUXVIA-UHFFFAOYSA-N -1 0 339.347 3.954 20 0 EHADRM CSc1ccc(NC(=O)c2ccnc3ccccc32)cc1C(=O)[O-] ZINC001599816884 988441959 /nfs/dbraw/zinc/44/19/59/988441959.db2.gz DICNHMBSGYNPTH-UHFFFAOYSA-N -1 0 338.388 3.907 20 0 EHADRM CSc1ccc(NC(=O)c2ccc3c(c2)CCC3)cc1C(=O)[O-] ZINC001599817614 988453739 /nfs/dbraw/zinc/45/37/39/988453739.db2.gz NSLMOAFDEPVRJI-UHFFFAOYSA-N -1 0 327.405 3.848 20 0 EHADRM CSc1ccc(NC(=O)N[C@@H]2CC[C@@H](SC)C2)cc1C(=O)[O-] ZINC001599817743 988455686 /nfs/dbraw/zinc/45/56/86/988455686.db2.gz JUHSYZBPSCDFKP-MWLCHTKSSA-N -1 0 340.470 3.512 20 0 EHADRM CCc1ccccc1CC(=O)N(c1ccccc1)[C@@H](CC)C(=O)[O-] ZINC001597609126 988491325 /nfs/dbraw/zinc/49/13/25/988491325.db2.gz KTOKSQXDIGSKBF-SFHVURJKSA-N -1 0 325.408 3.688 20 0 EHADRM CCc1ccnc(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])c1 ZINC001597623292 988572589 /nfs/dbraw/zinc/57/25/89/988572589.db2.gz XLTHJVIMGSYBKU-UHFFFAOYSA-N -1 0 338.285 3.613 20 0 EHADRM CSc1cccc(NC(=O)N2CCc3cccc(C(=O)[O-])c3C2)c1 ZINC001599824913 988582240 /nfs/dbraw/zinc/58/22/40/988582240.db2.gz XAWFLUXXRQZSDR-UHFFFAOYSA-N -1 0 342.420 3.697 20 0 EHADRM CSc1cccc(NC(=O)Nc2ccc(CC(=O)[O-])cc2)c1C ZINC001599824967 988583720 /nfs/dbraw/zinc/58/37/20/988583720.db2.gz ZYVXCIJOADXERP-UHFFFAOYSA-N -1 0 330.409 3.988 20 0 EHADRM CSc1ccccc1[C@@H](C)NCC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001599826466 988605279 /nfs/dbraw/zinc/60/52/79/988605279.db2.gz QQGCPVGWOPOVQT-LLVKDONJSA-N -1 0 346.452 3.585 20 0 EHADRM Cc1ccccc1CS(=O)(=O)[N-][C@H](C1CCCC1)C(F)(F)F ZINC000179500113 1015403288 /nfs/dbraw/zinc/40/32/88/1015403288.db2.gz HATDHQUJVIMOBO-CQSZACIVSA-N -1 0 335.391 3.536 20 0 EHADRM CSc1nc2ccccc2c(C)c1NC(=O)C[C@@H](C)CC(=O)[O-] ZINC001599828560 988635341 /nfs/dbraw/zinc/63/53/41/988635341.db2.gz VDMZCFDKBVZTMH-SNVBAGLBSA-N -1 0 332.425 3.705 20 0 EHADRM CCc1nc(C(C)C)ccc1C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001597652856 988700179 /nfs/dbraw/zinc/70/01/79/988700179.db2.gz SYJBEEODCKBBBM-UHFFFAOYSA-N -1 0 344.386 3.786 20 0 EHADRM CCc1nc(C(C)C)ccc1C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC001597653163 988702395 /nfs/dbraw/zinc/70/23/95/988702395.db2.gz YBKFFPLDOVTVOO-UHFFFAOYSA-N -1 0 332.444 3.532 20 0 EHADRM C[C@@H](CC(=O)[O-])OC(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC001599834652 988723770 /nfs/dbraw/zinc/72/37/70/988723770.db2.gz JIQSDPKGPRLHTF-LURJTMIESA-N -1 0 331.802 3.545 20 0 EHADRM C[C@@H](Cc1ccccc1)C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001599837576 988769767 /nfs/dbraw/zinc/76/97/67/988769767.db2.gz QDMRXNCKBNZSOS-JTQLQIEISA-N -1 0 335.762 3.995 20 0 EHADRM CCc1nc(NC(=O)C2(c3ccccc3)CCCC2)sc1C(=O)[O-] ZINC001597675621 988785525 /nfs/dbraw/zinc/78/55/25/988785525.db2.gz GZUHSYFBGINLPE-UHFFFAOYSA-N -1 0 344.436 3.854 20 0 EHADRM C[C@@H](NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)C1CCCCCC1 ZINC001599839459 988799573 /nfs/dbraw/zinc/79/95/73/988799573.db2.gz GUOBHYPEDHDHPU-CYBMUJFWSA-N -1 0 330.428 3.769 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccc2c(c1)CCC2 ZINC001599840718 988822522 /nfs/dbraw/zinc/82/25/22/988822522.db2.gz OXVIMICSCJFPIJ-LLVKDONJSA-N -1 0 327.355 3.504 20 0 EHADRM CCc1nc(NC(=O)c2ccccc2C(F)F)sc1C(=O)[O-] ZINC001597685262 988831166 /nfs/dbraw/zinc/83/11/66/988831166.db2.gz NQCYIDDRGGWTNF-UHFFFAOYSA-N -1 0 326.324 3.594 20 0 EHADRM CCc1nc2ccc(NCc3ccccc3OCC(=O)[O-])cc2s1 ZINC001597690300 988867751 /nfs/dbraw/zinc/86/77/51/988867751.db2.gz CTHDCOTWXZWFOV-UHFFFAOYSA-N -1 0 342.420 3.934 20 0 EHADRM CCc1nc2ccc(NC(=O)NCC(CC)(CC)C(=O)[O-])cc2s1 ZINC001597691190 988880882 /nfs/dbraw/zinc/88/08/82/988880882.db2.gz MUDUDTLWXURVPM-UHFFFAOYSA-N -1 0 349.456 3.871 20 0 EHADRM C[C@@H]1CN(C(=O)N[C@H](c2ccccc2)C2CCCCC2)C[C@H]1C(=O)[O-] ZINC001599855435 989080223 /nfs/dbraw/zinc/08/02/23/989080223.db2.gz HZVYAJRETZNLFZ-ZTFGCOKTSA-N -1 0 344.455 3.670 20 0 EHADRM C[C@@H]1CN(C(=O)N[C@H]2CCC(C)(C)c3ccccc32)C[C@H]1CC(=O)[O-] ZINC001599856231 989092292 /nfs/dbraw/zinc/09/22/92/989092292.db2.gz ATPDMQKVQZTQSN-CPUCHLNUSA-N -1 0 344.455 3.551 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)c1c(Cl)cncc1Cl ZINC001597772523 989240189 /nfs/dbraw/zinc/24/01/89/989240189.db2.gz UYOBYJVNDVBNRG-UHFFFAOYSA-N -1 0 344.150 3.599 20 0 EHADRM CCc1oc(CNc2cccc(Oc3cnccn3)c2)cc1C(=O)[O-] ZINC001597805184 989410759 /nfs/dbraw/zinc/41/07/59/989410759.db2.gz WNSLESLUGHLGPR-UHFFFAOYSA-N -1 0 339.351 3.735 20 0 EHADRM CCn1cc(CN2CCc3cc(C(=O)[O-])ccc32)c(-c2ccccc2)n1 ZINC001597887620 989733517 /nfs/dbraw/zinc/73/35/17/989733517.db2.gz PSKLGVLFFRUPBJ-UHFFFAOYSA-N -1 0 347.418 3.831 20 0 EHADRM CC(C)(C)OCCCC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001590381747 989895112 /nfs/dbraw/zinc/89/51/12/989895112.db2.gz GFGPIOCYKYSCMN-UHFFFAOYSA-N -1 0 331.771 3.711 20 0 EHADRM CC(C)(C)OCc1ccc(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)cc1 ZINC001590396513 989923386 /nfs/dbraw/zinc/92/33/86/989923386.db2.gz VQUNNIGIPIDLAT-UHFFFAOYSA-N -1 0 345.439 3.975 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])c1 ZINC001590416229 989954795 /nfs/dbraw/zinc/95/47/95/989954795.db2.gz IMCAHLQRDGRZNQ-DNVCBOLYSA-N -1 0 333.428 3.627 20 0 EHADRM CC(C)(C)Oc1cccc(CCC(=O)Nc2cc(C(=O)[O-])cs2)n1 ZINC001590416402 989956097 /nfs/dbraw/zinc/95/60/97/989956097.db2.gz LRTJBLKZHUFFNV-UHFFFAOYSA-N -1 0 348.424 3.590 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])c1 ZINC001590416732 989956823 /nfs/dbraw/zinc/95/68/23/989956823.db2.gz OVZMANHBFCJNEG-MRXNPFEDSA-N -1 0 347.455 3.875 20 0 EHADRM CC(C)(C)Sc1ccc(-c2noc(-c3cc(C(=O)[O-])co3)n2)nc1 ZINC001590435050 989994349 /nfs/dbraw/zinc/99/43/49/989994349.db2.gz STDUAURUCBJPIF-UHFFFAOYSA-N -1 0 345.380 3.980 20 0 EHADRM CC(C)(C)Sc1cc(C(=O)Oc2cccc(C(=O)[O-])c2)ccn1 ZINC001590435015 989994494 /nfs/dbraw/zinc/99/44/94/989994494.db2.gz RPGUMFJIVKVPCI-UHFFFAOYSA-N -1 0 331.393 3.890 20 0 EHADRM CC(C)(C)Sc1ccc(NC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)cc1 ZINC001590435102 989995364 /nfs/dbraw/zinc/99/53/64/989995364.db2.gz VRBQEQLFOARRGE-YNKQFZHNSA-N -1 0 348.468 3.952 20 0 EHADRM CC(C)(C)c1cc(NCCc2cc3ccc(C(=O)[O-])cc3o2)ncn1 ZINC001590461738 990030741 /nfs/dbraw/zinc/03/07/41/990030741.db2.gz IWFRDEIJNXVDPQ-UHFFFAOYSA-N -1 0 339.395 3.873 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)c2ccn(C(C)(C)C)n2)s1 ZINC001590463802 990039666 /nfs/dbraw/zinc/03/96/66/990039666.db2.gz RERDUJIQVWMWFZ-UHFFFAOYSA-N -1 0 349.456 3.948 20 0 EHADRM CC(C)(C)c1ccc(CCC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])cc1 ZINC001590485451 990084185 /nfs/dbraw/zinc/08/41/85/990084185.db2.gz XLIBLMMDYOTQMO-DOTOQJQBSA-N -1 0 331.456 3.676 20 0 EHADRM CC(C)(C)c1cccc(C(=O)Nc2nc3c(cccc3C(=O)[O-])[nH]2)c1 ZINC001590498830 990110107 /nfs/dbraw/zinc/11/01/07/990110107.db2.gz KJGPKIDUVNXUPE-UHFFFAOYSA-N -1 0 337.379 3.811 20 0 EHADRM CC(C)(C)c1ccc2[nH]c(C(=O)N3C4CCC3(C(=O)[O-])CC4)cc2c1 ZINC001590500225 990114792 /nfs/dbraw/zinc/11/47/92/990114792.db2.gz FJOLDNAJFPLBMD-UHFFFAOYSA-N -1 0 340.423 3.687 20 0 EHADRM CC(C)(C)c1nc(C[S@](=O)C[C@H]2CCCC[C@@H]2C(=O)[O-])cs1 ZINC001590542462 990172642 /nfs/dbraw/zinc/17/26/42/990172642.db2.gz WHEYICVROAYNCL-OGXUTIIGSA-N -1 0 343.514 3.580 20 0 EHADRM CN(C(=O)CCCCc1ccccc1)[C@H](C(=O)[O-])c1ccccc1 ZINC001598013339 990192770 /nfs/dbraw/zinc/19/27/70/990192770.db2.gz VDNLPPHRTQSMBL-IBGZPJMESA-N -1 0 325.408 3.684 20 0 EHADRM CC(C)(C)c1ncsc1C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001590572762 990209455 /nfs/dbraw/zinc/20/94/55/990209455.db2.gz MRTBLLHXYRUEIC-UHFFFAOYSA-N -1 0 343.408 3.872 20 0 EHADRM CN(C(=O)CNc1cc2ccccc2cc1C(=O)[O-])c1ccccc1 ZINC001598028486 990241255 /nfs/dbraw/zinc/24/12/55/990241255.db2.gz IKVTUCNJUNROMC-UHFFFAOYSA-N -1 0 334.375 3.613 20 0 EHADRM CC(C)(C)n1nc(C(=O)OCc2ccc(C(=O)[O-])cc2)cc1C1CC1 ZINC001590601242 990258472 /nfs/dbraw/zinc/25/84/72/990258472.db2.gz GAQLRNVJSQSCLV-UHFFFAOYSA-N -1 0 342.395 3.571 20 0 EHADRM CC(C)(CC(=O)NC1(CC(=O)[O-])CCCC1)CC(=O)c1ccccc1 ZINC001590621057 990299091 /nfs/dbraw/zinc/29/90/91/990299091.db2.gz POECVQHQQSMYNH-UHFFFAOYSA-N -1 0 345.439 3.579 20 0 EHADRM CN(C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])[C@@H]1CCC[C@H]1c1ccccc1 ZINC001598052190 990308866 /nfs/dbraw/zinc/30/88/66/990308866.db2.gz FXAIMTKADAXIDT-WNRNVDISSA-N -1 0 344.455 3.608 20 0 EHADRM CN(C(=O)Nc1ccc(F)c(C(=O)[O-])c1F)[C@H]1CCc2ccccc21 ZINC001598059837 990326609 /nfs/dbraw/zinc/32/66/09/990326609.db2.gz DKUYQVCDJBKRQO-AWEZNQCLSA-N -1 0 346.333 3.814 20 0 EHADRM CC(C)(CC(=O)O[C@H]1CCC[C@@H](C(=O)[O-])C1)CC(=O)c1ccccc1 ZINC001590648966 990335287 /nfs/dbraw/zinc/33/52/87/990335287.db2.gz NHPSZWJESYFCSC-CVEARBPZSA-N -1 0 346.423 3.862 20 0 EHADRM CC(C)(CNC(=O)N[C@H]1CCc2cccc3cccc1c32)CC(=O)[O-] ZINC001590722436 990496672 /nfs/dbraw/zinc/49/66/72/990496672.db2.gz NPGGWJRBCDARAO-INIZCTEOSA-N -1 0 340.423 3.627 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1cccnc1 ZINC001590734341 990528109 /nfs/dbraw/zinc/52/81/09/990528109.db2.gz NEJOECJFHRANJK-UHFFFAOYSA-N -1 0 347.802 3.533 20 0 EHADRM CC(C)(Cc1ccc(Cl)cc1)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001590821852 990659772 /nfs/dbraw/zinc/65/97/72/990659772.db2.gz FSNSUMTUUPTRBJ-GOSISDBHSA-N -1 0 337.847 3.622 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001590821969 990661309 /nfs/dbraw/zinc/66/13/09/990661309.db2.gz MLKITBHOQQESRX-UHFFFAOYSA-N -1 0 332.787 3.641 20 0 EHADRM CC(C)(NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)c1ccccc1 ZINC001590855898 990742878 /nfs/dbraw/zinc/74/28/78/990742878.db2.gz PQLQUSFHPKGZJW-DLBZAZTESA-N -1 0 338.407 3.932 20 0 EHADRM COc1c(Cl)cc(NC(=O)c2cccc(C(=O)[O-])c2)cc1Cl ZINC000535614800 1015586712 /nfs/dbraw/zinc/58/67/12/1015586712.db2.gz QTEDKSGENGUVEI-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM CC(C)(S[C@@H](CNC(=O)c1ccccc1)C(=O)[O-])c1ccccc1 ZINC001590907342 990873437 /nfs/dbraw/zinc/87/34/37/990873437.db2.gz SIKMOKYBUHXECQ-INIZCTEOSA-N -1 0 343.448 3.538 20 0 EHADRM CC(C)=CCN(Cc1oncc1C(=O)[O-])Cc1ccc(Cl)cc1 ZINC001590921664 990912546 /nfs/dbraw/zinc/91/25/46/990912546.db2.gz TXPFNASDPUOPAT-UHFFFAOYSA-N -1 0 334.803 3.995 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001590967653 991083670 /nfs/dbraw/zinc/08/36/70/991083670.db2.gz CSFQKUMZJJFELJ-YYWHXJBOSA-N -1 0 343.467 3.605 20 0 EHADRM CC(C)[C@H](CC(=O)N[C@@H](CC(=O)[O-])C1CCCC1)c1ccccc1 ZINC001590976072 991121529 /nfs/dbraw/zinc/12/15/29/991121529.db2.gz KWSOAUVYJKMPBT-ROUUACIJSA-N -1 0 331.456 3.966 20 0 EHADRM CC(C)[C@@H](CCc1ccccc1)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001590980795 991133925 /nfs/dbraw/zinc/13/39/25/991133925.db2.gz KDJCQHQDADBAEI-ZWKOTPCHSA-N -1 0 331.456 3.509 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)OCc1cc(C(=O)[O-])ccc1C ZINC001599697248 991166797 /nfs/dbraw/zinc/16/67/97/991166797.db2.gz SVEFCJQGHFVAAD-UHFFFAOYSA-N -1 0 342.391 3.723 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)O[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001599699165 991192907 /nfs/dbraw/zinc/19/29/07/991192907.db2.gz VFKPTZWARPNQSL-OBIHZWKSSA-N -1 0 330.336 3.694 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)Nc1cc(C)c(C(=O)[O-])c(C)n1 ZINC001599699150 991192915 /nfs/dbraw/zinc/19/29/15/991192915.db2.gz VARIVJCWVWGCLM-NSHDSACASA-N -1 0 342.395 3.538 20 0 EHADRM COc1ccccc1[C@H](Nc1ccc(C(=O)[O-])c(C)n1)c1ccccn1 ZINC001599700651 991213393 /nfs/dbraw/zinc/21/33/93/991213393.db2.gz XYRTZGIOFRYHDH-IBGZPJMESA-N -1 0 349.390 3.693 20 0 EHADRM CC(C)[C@H](F)C(=O)N(C)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001590996607 991232911 /nfs/dbraw/zinc/23/29/11/991232911.db2.gz PFCSGOMDUYGZLV-RYUDHWBXSA-N -1 0 336.190 3.572 20 0 EHADRM CC(C)[C@@H](NC(=O)NCC(C)(C)C(=O)[O-])c1ccc(Cl)cc1F ZINC001591013867 991287490 /nfs/dbraw/zinc/28/74/90/991287490.db2.gz XXURFUKPAQJFLY-CYBMUJFWSA-N -1 0 344.814 3.586 20 0 EHADRM COc1ccccc1C[C@H](CNC(=O)C[C@@H](C)CC(C)(C)C)C(=O)[O-] ZINC001599707162 991311112 /nfs/dbraw/zinc/31/11/12/991311112.db2.gz SSTIQMGEVBZTRP-GDBMZVCRSA-N -1 0 349.471 3.517 20 0 EHADRM CN(C)c1ccc(OC(=O)c2ccc3ccccc3c2)cc1C(=O)[O-] ZINC001598328036 991346914 /nfs/dbraw/zinc/34/69/14/991346914.db2.gz BWPHTSGVVAEOJE-UHFFFAOYSA-N -1 0 335.359 3.823 20 0 EHADRM CN(C)c1ccc(OC(=O)C[C@H]2CCCCC2(C)C)cc1C(=O)[O-] ZINC001598328782 991356360 /nfs/dbraw/zinc/35/63/60/991356360.db2.gz BKLHGDUTQJDHLV-CYBMUJFWSA-N -1 0 333.428 3.963 20 0 EHADRM CN(C)c1cccc(CCC(=O)Nc2cccc(C(=O)[O-])c2Cl)c1 ZINC001598334632 991379273 /nfs/dbraw/zinc/37/92/73/991379273.db2.gz HGOAQONLHKZOBJ-UHFFFAOYSA-N -1 0 346.814 3.676 20 0 EHADRM CC(C)[C@@H](S[C@@H](C)c1ccccc1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001591051408 991449949 /nfs/dbraw/zinc/44/99/49/991449949.db2.gz BHMYVTNQPWTDBK-WMLDXEAASA-N -1 0 349.496 3.829 20 0 EHADRM COc1ccccc1[C@H](C)OC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001599719491 991512684 /nfs/dbraw/zinc/51/26/84/991512684.db2.gz RGKOQIDRPYFFIE-OWZDWXTDSA-N -1 0 340.375 3.558 20 0 EHADRM CC(C)[C@@H]1CCCN(C(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC001591086734 991603913 /nfs/dbraw/zinc/60/39/13/991603913.db2.gz DFGNBBNWJNFBMO-WRWLIDTKSA-N -1 0 329.440 3.530 20 0 EHADRM CC(C)C1CCN(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])CC1 ZINC001591092746 991648568 /nfs/dbraw/zinc/64/85/68/991648568.db2.gz VYOUCHNVKSYWPL-QGZVFWFLSA-N -1 0 346.471 3.916 20 0 EHADRM CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1ccc(C(=O)[O-])o1 ZINC001591095585 991682445 /nfs/dbraw/zinc/68/24/45/991682445.db2.gz XIIJEMUODPBKQR-GUYCJALGSA-N -1 0 327.380 3.667 20 0 EHADRM CC(C)C[C@H](C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-])n1ccnc1 ZINC001591120436 991792053 /nfs/dbraw/zinc/79/20/53/991792053.db2.gz NAGJJDBQPWCQQR-QGZVFWFLSA-N -1 0 343.427 3.931 20 0 EHADRM CC(C)C[C@H](C)NC(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001591137570 991844816 /nfs/dbraw/zinc/84/48/16/991844816.db2.gz HRSKAXBDGRIJBX-VIFPVBQESA-N -1 0 343.221 3.703 20 0 EHADRM COc1nsc(CN(C)Cc2ccc(C(C)(C)C)cc2)c1C(=O)[O-] ZINC001599741001 991855811 /nfs/dbraw/zinc/85/58/11/991855811.db2.gz QGBOLCBXHUZIBP-UHFFFAOYSA-N -1 0 348.468 3.779 20 0 EHADRM CC(C)CC(CC(C)C)C(=O)N(CCC(F)(F)F)CC(=O)[O-] ZINC001591143241 991869884 /nfs/dbraw/zinc/86/98/84/991869884.db2.gz QMZFBKIIANCSSI-UHFFFAOYSA-N -1 0 325.371 3.560 20 0 EHADRM CN(CC1=CCSC1)C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001598446469 991882250 /nfs/dbraw/zinc/88/22/50/991882250.db2.gz GDNPRFAFWJHMRV-UHFFFAOYSA-N -1 0 348.449 3.736 20 0 EHADRM CC(C)C[C@@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1ccccc1 ZINC001591178430 991975292 /nfs/dbraw/zinc/97/52/92/991975292.db2.gz QIFWMFJGWFAASK-USXIJHARSA-N -1 0 332.444 3.526 20 0 EHADRM CC(C)C[C@@H](OC(=O)[C@@H](C)CC(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC001591188196 991993037 /nfs/dbraw/zinc/99/30/37/991993037.db2.gz LQHZCRYICPVGEY-XHDPSFHLSA-N -1 0 340.803 3.591 20 0 EHADRM CC(C)C[C@H](OC(=O)c1cc2sccc2nc1Cl)C(=O)[O-] ZINC001591188343 991994575 /nfs/dbraw/zinc/99/45/75/991994575.db2.gz RPTCNBFHKDRHNX-JTQLQIEISA-N -1 0 327.789 3.606 20 0 EHADRM CC(C)C[C@@H](SCc1nc(C(=O)[O-])cs1)C(=O)OC(C)(C)C ZINC001591190821 991996381 /nfs/dbraw/zinc/99/63/81/991996381.db2.gz AYQNFGQYSBGCQE-LLVKDONJSA-N -1 0 345.486 3.831 20 0 EHADRM CC(C)CC1(C(=O)N[C@H](C)c2ccc(OCC(=O)[O-])cc2)CCCC1 ZINC001591191615 992003643 /nfs/dbraw/zinc/00/36/43/992003643.db2.gz DDYNXQQDQPBMBR-OAHLLOKOSA-N -1 0 347.455 3.934 20 0 EHADRM CC(C)CCCNC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001591238485 992123304 /nfs/dbraw/zinc/12/33/04/992123304.db2.gz BEKYEZRNAOXKRR-MRXNPFEDSA-N -1 0 332.444 3.540 20 0 EHADRM CC(C)CCc1ccc(NC(=O)NC[C@@H](CC2CC2)C(=O)[O-])cc1 ZINC001591266961 992184869 /nfs/dbraw/zinc/18/48/69/992184869.db2.gz ZKIFTSGDNOLFIP-MRXNPFEDSA-N -1 0 332.444 3.898 20 0 EHADRM CN(CCN(C)[C@H](C(=O)[O-])c1ccccc1Cl)c1ccccc1 ZINC001598485967 992206730 /nfs/dbraw/zinc/20/67/30/992206730.db2.gz IBEPBSLMOMRNRL-KRWDZBQOSA-N -1 0 332.831 3.534 20 0 EHADRM CC(C)CN(C(=O)Nc1cc(C(=O)[O-])cnc1Cl)C1CCCC1 ZINC001591281050 992210780 /nfs/dbraw/zinc/21/07/80/992210780.db2.gz VUVJCFTWWHUGKQ-UHFFFAOYSA-N -1 0 339.823 3.866 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)CC(c1ccccc1)c1ccccc1 ZINC001591290669 992238045 /nfs/dbraw/zinc/23/80/45/992238045.db2.gz AXRGRWDHNLIYOQ-UHFFFAOYSA-N -1 0 339.435 3.778 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C/C=C/c1ccc(F)cc1 ZINC001591309541 992267042 /nfs/dbraw/zinc/26/70/42/992267042.db2.gz ZOXULLJKNUMANA-AATRIKPKSA-N -1 0 335.419 3.824 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)[C@H](F)CC1CCCCC1 ZINC001591309904 992270792 /nfs/dbraw/zinc/27/07/92/992270792.db2.gz NXMRDWWQLDUDEY-OAHLLOKOSA-N -1 0 329.456 3.890 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1csc2c1CCCC2 ZINC001591314696 992282357 /nfs/dbraw/zinc/28/23/57/992282357.db2.gz ZDSBKDVNPYTDJW-UHFFFAOYSA-N -1 0 337.485 3.836 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)CCc1ccc(F)c2c1CCCC2 ZINC001591323509 992295835 /nfs/dbraw/zinc/29/58/35/992295835.db2.gz KEIRHONJXKZQJT-UHFFFAOYSA-N -1 0 349.446 3.596 20 0 EHADRM CS[C@H](C)CCC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001599782457 992383294 /nfs/dbraw/zinc/38/32/94/992383294.db2.gz CDDVSAAYXWQSCP-LLVKDONJSA-N -1 0 325.430 3.642 20 0 EHADRM CS[C@H](C)CC(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001599782679 992385787 /nfs/dbraw/zinc/38/57/87/992385787.db2.gz IFILVCNZEQUHFC-KRTXAFLBSA-N -1 0 337.224 3.804 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CC[C@H]1CCc2ccccc21 ZINC001598509891 992556486 /nfs/dbraw/zinc/55/64/86/992556486.db2.gz JQGDMVOTSWNMDU-QGZVFWFLSA-N -1 0 337.419 3.853 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)Cc1c(F)cccc1N1CCCC1 ZINC001598513103 992584765 /nfs/dbraw/zinc/58/47/65/992584765.db2.gz NFYAZAARERGTNI-UHFFFAOYSA-N -1 0 342.414 3.756 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)Cc1c(F)ccc(F)c1Cl ZINC001598513439 992590138 /nfs/dbraw/zinc/59/01/38/992590138.db2.gz VXBFJHDQBXPYFD-UHFFFAOYSA-N -1 0 325.742 3.948 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)N[C@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001591483203 992600983 /nfs/dbraw/zinc/60/09/83/992600983.db2.gz BYEPXJOKGQFKAX-FQEVSTJZSA-N -1 0 345.483 3.967 20 0 EHADRM CC(C)Cc1ccc([C@H](NC(=O)NCCCC(=O)[O-])C(C)C)cc1 ZINC001591484198 992607848 /nfs/dbraw/zinc/60/78/48/992607848.db2.gz KJNCEEXMKZKAGV-GOSISDBHSA-N -1 0 334.460 3.746 20 0 EHADRM CC(C)Cc1ccc(CC(=O)N(CC(=O)[O-])C2CCCCC2)cc1 ZINC001591484693 992612192 /nfs/dbraw/zinc/61/21/92/992612192.db2.gz RQSBBMGLBQFIDX-UHFFFAOYSA-N -1 0 331.456 3.674 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)cc1 ZINC001591489428 992620541 /nfs/dbraw/zinc/62/05/41/992620541.db2.gz ROAVXVSVRNCKOJ-WMLDXEAASA-N -1 0 333.472 3.994 20 0 EHADRM CC(C)Cc1nc(C(=O)OC[C@@](C)(C(=O)[O-])c2ccccc2)cs1 ZINC001591496573 992628157 /nfs/dbraw/zinc/62/81/57/992628157.db2.gz BDFAOUOEHSNUOY-GOSISDBHSA-N -1 0 347.436 3.541 20 0 EHADRM CC(C)Cn1cc(C(=O)NC2(CC(=O)[O-])CCCC2)c2ccccc21 ZINC001591520133 992686122 /nfs/dbraw/zinc/68/61/22/992686122.db2.gz JNRTUZRCBOUSIV-UHFFFAOYSA-N -1 0 342.439 3.815 20 0 EHADRM CC(C)N(C)C(=O)Nc1c(OCc2ccccc2)cccc1C(=O)[O-] ZINC001591551070 992744495 /nfs/dbraw/zinc/74/44/95/992744495.db2.gz TYGGVTBZLSWVFE-UHFFFAOYSA-N -1 0 342.395 3.836 20 0 EHADRM CN(Cc1nccs1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598539202 992880531 /nfs/dbraw/zinc/88/05/31/992880531.db2.gz XBLAPPSIXHGNSW-LBPRGKRZSA-N -1 0 331.224 3.708 20 0 EHADRM CC(C)c1noc(CCC(=O)Nc2cc(Cl)c([O-])c(Cl)c2)n1 ZINC000154695120 1015770601 /nfs/dbraw/zinc/77/06/01/1015770601.db2.gz NEXWFJIZVPVIBF-UHFFFAOYSA-N -1 0 344.198 3.777 20 0 EHADRM CN1CCCN(Cc2ccc(C(=O)[O-])c(F)c2)c2cc(F)ccc21 ZINC001598601247 993573510 /nfs/dbraw/zinc/57/35/10/993573510.db2.gz NBXAGCPGNKCQJA-UHFFFAOYSA-N -1 0 332.350 3.510 20 0 EHADRM COc1ccc(N(C)C(=O)c2ccccc2S[C@@H](C)C(=O)[O-])cc1 ZINC001599583879 993587074 /nfs/dbraw/zinc/58/70/74/993587074.db2.gz HNTUKGKMJHFEMV-LBPRGKRZSA-N -1 0 345.420 3.537 20 0 EHADRM C[C@@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1csc2ccccc21 ZINC001593069859 993613197 /nfs/dbraw/zinc/61/31/97/993613197.db2.gz KQZLZRXJUWVRQP-YNEHKIRRSA-N -1 0 346.452 3.715 20 0 EHADRM C[C@H](NC(=O)NC[C@H](CC(=O)[O-])C1CC1)c1cccc2ccccc21 ZINC001593081107 993657064 /nfs/dbraw/zinc/65/70/64/993657064.db2.gz GAAFDVFCHKSIMU-BBRMVZONSA-N -1 0 340.423 3.701 20 0 EHADRM C[C@@H](NC(=O)NC1(C)CCC(C)(C)CC1)c1ncc(C(=O)[O-])s1 ZINC001593082533 993670928 /nfs/dbraw/zinc/67/09/28/993670928.db2.gz ISXQZQYFSQDNPG-SNVBAGLBSA-N -1 0 339.461 3.560 20 0 EHADRM C[C@@H](NC(=O)NCCCC1CCCCC1)c1ncc(C(=O)[O-])s1 ZINC001593089181 993705642 /nfs/dbraw/zinc/70/56/42/993705642.db2.gz SYPSBNNSKSCFOK-LLVKDONJSA-N -1 0 339.461 3.562 20 0 EHADRM COc1ccc(NC(=O)c2c(C)occ2C(F)(F)F)c(C(=O)[O-])c1 ZINC001599593599 993720180 /nfs/dbraw/zinc/72/01/80/993720180.db2.gz GKMLJIWPXXNUNE-UHFFFAOYSA-N -1 0 343.257 3.566 20 0 EHADRM COc1ccc(NCc2ncc(C(=O)[O-])s2)cc1OC1CCCC1 ZINC001599597492 993767691 /nfs/dbraw/zinc/76/76/91/993767691.db2.gz VITRNWXPLSELIR-UHFFFAOYSA-N -1 0 348.424 3.783 20 0 EHADRM C[C@H](NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1)c1csc2ccccc21 ZINC001593109579 993775604 /nfs/dbraw/zinc/77/56/04/993775604.db2.gz VVNHBPSEIRUCRZ-XQQFMLRXSA-N -1 0 346.452 3.905 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12)C1CCC1 ZINC001593114733 993793904 /nfs/dbraw/zinc/79/39/04/993793904.db2.gz AQVMITYFBTXCTE-GFCCVEGCSA-N -1 0 342.395 3.613 20 0 EHADRM Cc1cccc(C(=O)[N-]NC(=O)Nc2ccc(-c3ccccc3)cc2)n1 ZINC000075570183 1015807562 /nfs/dbraw/zinc/80/75/62/1015807562.db2.gz QFTCCSKBCOPJFA-UHFFFAOYSA-N -1 0 346.390 3.524 20 0 EHADRM C[C@H](NC(=O)Nc1cccc(F)c1Cl)c1ncc(C(=O)[O-])s1 ZINC001593118459 993829615 /nfs/dbraw/zinc/82/96/15/993829615.db2.gz MFORHYLKZCUFRX-LURJTMIESA-N -1 0 343.767 3.517 20 0 EHADRM COc1ccc(Oc2ccc(COC(=O)CCCC(=O)[O-])cc2)cc1 ZINC001599608997 993926063 /nfs/dbraw/zinc/92/60/63/993926063.db2.gz VIMUDATZZKFHJM-UHFFFAOYSA-N -1 0 344.363 3.786 20 0 EHADRM COc1cc(C)ccc1C(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000547750377 1015818973 /nfs/dbraw/zinc/81/89/73/1015818973.db2.gz SRGUIMDHIVNXBQ-UHFFFAOYSA-N -1 0 345.449 3.566 20 0 EHADRM C[C@@](NC(=O)c1cc2ccccc2s1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593156329 993973345 /nfs/dbraw/zinc/97/33/45/993973345.db2.gz IKERCLBMMCXASI-SFHVURJKSA-N -1 0 343.379 3.770 20 0 EHADRM COc1ccc(SCCCC(=O)Oc2cccc(C(=O)[O-])c2)cc1 ZINC001599619430 994060710 /nfs/dbraw/zinc/06/07/10/994060710.db2.gz QJTYMXTZSYQHTA-UHFFFAOYSA-N -1 0 346.404 3.871 20 0 EHADRM CSc1cccc(NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])c1 ZINC000339890221 1015831435 /nfs/dbraw/zinc/83/14/35/1015831435.db2.gz TYQJCHWCGKZKTR-UHFFFAOYSA-N -1 0 343.383 3.691 20 0 EHADRM C[C@@H](N[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl)c1cscn1 ZINC001593196978 994159847 /nfs/dbraw/zinc/15/98/47/994159847.db2.gz XMBCACSSEYLMCM-KRTXAFLBSA-N -1 0 331.224 3.926 20 0 EHADRM C[C@@H](N[C@@H](C)c1c(F)cccc1F)c1ccccc1OCC(=O)[O-] ZINC001593198191 994168779 /nfs/dbraw/zinc/16/87/79/994168779.db2.gz ODQNSYWZCUQLAN-NEPJUHHUSA-N -1 0 335.350 3.840 20 0 EHADRM O=C(N[C@H]1CCC[C@@H]1Cc1ccccc1)c1cc(F)c(F)c([O-])c1F ZINC000180041881 1015838876 /nfs/dbraw/zinc/83/88/76/1015838876.db2.gz QFJAKOUPLOUIPJ-DOMZBBRYSA-N -1 0 349.352 3.951 20 0 EHADRM O=C([O-])CCN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000238044004 1015840733 /nfs/dbraw/zinc/84/07/33/1015840733.db2.gz IQHREUVIHRHSAE-NWDGAFQWSA-N -1 0 342.222 3.563 20 0 EHADRM COc1ccc2c(c1)[C@@H](NCc1cc(C(=O)[O-])ccc1Cl)CCO2 ZINC001599632268 994236221 /nfs/dbraw/zinc/23/62/21/994236221.db2.gz WIVFUIZKMPYNOL-INIZCTEOSA-N -1 0 347.798 3.660 20 0 EHADRM COc1ccc2cc(C(=O)N(C3CC3)C3(C(=O)[O-])CCC3)sc2c1 ZINC001599633794 994257345 /nfs/dbraw/zinc/25/73/45/994257345.db2.gz PZTYNKUVWFWVCZ-UHFFFAOYSA-N -1 0 345.420 3.522 20 0 EHADRM COc1ccc2cc(NC(=O)Nc3cc(C(=O)[O-])n(C)c3)ccc2c1 ZINC001599634584 994268132 /nfs/dbraw/zinc/26/81/32/994268132.db2.gz RUPPWMBZIPKFBV-UHFFFAOYSA-N -1 0 339.351 3.529 20 0 EHADRM COc1ccc2ccc(C(=O)N(C)[C@H](C(=O)[O-])c3ccccc3)cc2c1 ZINC001599636427 994294064 /nfs/dbraw/zinc/29/40/64/994294064.db2.gz PNTBJOCKTTVBLI-IBGZPJMESA-N -1 0 349.386 3.746 20 0 EHADRM C[C@H](N[C@H]1CCCOc2c(F)cccc21)c1ncc(C(=O)[O-])s1 ZINC001593221200 994321634 /nfs/dbraw/zinc/32/16/34/994321634.db2.gz YGRWKXOXIWVJCE-CABZTGNLSA-N -1 0 336.388 3.545 20 0 EHADRM COc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c1C ZINC001599640894 994357287 /nfs/dbraw/zinc/35/72/87/994357287.db2.gz HVKGOZPUVGGSMH-HNNXBMFYSA-N -1 0 347.798 3.603 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)c1coc2cc(F)ccc21 ZINC001599644324 994404252 /nfs/dbraw/zinc/40/42/52/994404252.db2.gz SDBIWCVLXLPWOG-UHFFFAOYSA-N -1 0 343.310 3.555 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)Nc2cc(C(=O)[O-])n(C)c2)c1 ZINC001599655418 994570702 /nfs/dbraw/zinc/57/07/02/994570702.db2.gz QIDGEXYVTHKESP-CYBMUJFWSA-N -1 0 344.411 3.644 20 0 EHADRM C[C@H](NCc1ccc(C(=O)[O-])cc1F)c1nccn1-c1ccccc1 ZINC001593295941 994693619 /nfs/dbraw/zinc/69/36/19/994693619.db2.gz IJHCFQXNFZJNPZ-ZDUSSCGKSA-N -1 0 339.370 3.560 20 0 EHADRM COc1cccc(C[C@H](C)CC(=O)Nc2cc(C(=O)[O-])sc2C)c1 ZINC001599666379 994737538 /nfs/dbraw/zinc/73/75/38/994737538.db2.gz OHNZGRZQQJZLTH-NSHDSACASA-N -1 0 347.436 3.971 20 0 EHADRM C[C@@H](NCc1ccoc1C(=O)[O-])c1nc(-c2ccccc2)cs1 ZINC001593310027 994771384 /nfs/dbraw/zinc/77/13/84/994771384.db2.gz FKZFBVYASSXEIB-LLVKDONJSA-N -1 0 328.393 3.952 20 0 EHADRM C[C@H](NCc1nc2cc(C(=O)[O-])ccc2[nH]1)c1c(F)cccc1Cl ZINC001593311578 994785624 /nfs/dbraw/zinc/78/56/24/994785624.db2.gz IXVRLBXYTOQYEJ-VIFPVBQESA-N -1 0 347.777 3.904 20 0 EHADRM CNc1ccc(Cl)c(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC001598679364 994902237 /nfs/dbraw/zinc/90/22/37/994902237.db2.gz FPPFYFTUWZENBB-BDJLRTHQSA-N -1 0 346.814 3.574 20 0 EHADRM CNc1ccc(Cl)c(C(=O)N[C@H](CC(=O)[O-])c2ccc(C)cc2)c1 ZINC001598679782 994908505 /nfs/dbraw/zinc/90/85/05/994908505.db2.gz MPAOVPJHFANLRC-MRXNPFEDSA-N -1 0 346.814 3.636 20 0 EHADRM COc1cccc(Cc2noc(-c3cc(C(=O)[O-])ccc3Cl)n2)c1 ZINC001599676876 994912374 /nfs/dbraw/zinc/91/23/74/994912374.db2.gz PAUYXLKZDAUABB-UHFFFAOYSA-N -1 0 344.754 3.688 20 0 EHADRM COc1cccc(Cl)c1CC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC001599677763 994925796 /nfs/dbraw/zinc/92/57/96/994925796.db2.gz VZRLMZWASOAMFE-LLVKDONJSA-N -1 0 347.798 3.718 20 0 EHADRM COC(=O)/C(=C\c1cc(C(=O)[O-])oc1C)c1nc(C(C)(C)C)cs1 ZINC001598684073 994979472 /nfs/dbraw/zinc/97/94/72/994979472.db2.gz GXPBDBJCDCJAAL-WDZFZDKYSA-N -1 0 349.408 3.754 20 0 EHADRM C[C@H](N[C@H]1CCCc2c(F)cc(F)cc21)c1ncc(C(=O)[O-])s1 ZINC001593356646 995003350 /nfs/dbraw/zinc/00/33/50/995003350.db2.gz IATHNEYJLIFMPH-SDBXPKJASA-N -1 0 338.379 3.848 20 0 EHADRM C[C@H](Nc1ccc(CCC(=O)[O-])cc1)[C@H]1COc2ccccc2C1 ZINC001593363531 995037231 /nfs/dbraw/zinc/03/72/31/995037231.db2.gz SFSCYXPFZITLOO-WMLDXEAASA-N -1 0 325.408 3.756 20 0 EHADRM C[C@@H](Nc1ccccc1OCC(F)F)c1ncc(C(=O)[O-])s1 ZINC001593366927 995055036 /nfs/dbraw/zinc/05/50/36/995055036.db2.gz IARABDGBORJYMK-MRVPVSSYSA-N -1 0 328.340 3.658 20 0 EHADRM C[C@H](Nc1cncc(C(=O)[O-])n1)c1cccc(SC(F)(F)F)c1 ZINC001593368056 995061889 /nfs/dbraw/zinc/06/18/89/995061889.db2.gz UDBOFGARYQTJMP-QMMMGPOBSA-N -1 0 343.330 3.960 20 0 EHADRM O=c1[nH]c(SCc2c(Cl)ccc3cccnc32)nc2[nH]ncc21 ZINC000339921884 1015944096 /nfs/dbraw/zinc/94/40/96/1015944096.db2.gz RDUICHOMMVQMFJ-UHFFFAOYSA-N -1 0 343.799 3.552 20 0 EHADRM C[C@H](OC(=O)CCCOc1ccccc1F)c1cc(C(=O)[O-])co1 ZINC001593524468 995561020 /nfs/dbraw/zinc/56/10/20/995561020.db2.gz FCQCYIHWYFKCBI-NSHDSACASA-N -1 0 336.315 3.580 20 0 EHADRM C[C@@H](OC(=O)CCCc1c(F)cccc1F)c1cc(C(=O)[O-])co1 ZINC001593525627 995563805 /nfs/dbraw/zinc/56/38/05/995563805.db2.gz NLROMOJZXOTGSN-SNVBAGLBSA-N -1 0 338.306 3.883 20 0 EHADRM C[C@@H](OC(=O)c1cc(-c2ccccc2)no1)c1cc(C(=O)[O-])co1 ZINC001593555186 995638409 /nfs/dbraw/zinc/63/84/09/995638409.db2.gz ZZVDIMUIQXENTP-SNVBAGLBSA-N -1 0 327.292 3.551 20 0 EHADRM C[C@@H](OC(=O)c1cc(C(=O)[O-])co1)c1cccc(Br)c1 ZINC001593556800 995646986 /nfs/dbraw/zinc/64/69/86/995646986.db2.gz YAYKLVPDXOMGLO-MRVPVSSYSA-N -1 0 339.141 3.658 20 0 EHADRM C[C@@H](OC(=O)c1ccc(OCC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001593583767 995695740 /nfs/dbraw/zinc/69/57/40/995695740.db2.gz ANDQGACEODFFMI-LLVKDONJSA-N -1 0 334.755 3.721 20 0 EHADRM C[C@@H](OC(=O)c1cccn1Cc1cccs1)c1cc(C(=O)[O-])co1 ZINC001593591356 995712595 /nfs/dbraw/zinc/71/25/95/995712595.db2.gz FNEGUWQIQYCUJJ-LLVKDONJSA-N -1 0 345.376 3.807 20 0 EHADRM C[C@H](OC(=O)c1cnc(CC(C)(C)C)s1)c1cc(C(=O)[O-])co1 ZINC001593596553 995731394 /nfs/dbraw/zinc/73/13/94/995731394.db2.gz DEYLMUVIUREQJJ-VIFPVBQESA-N -1 0 337.397 3.941 20 0 EHADRM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCCCCCCC(=O)[O-] ZINC001593635074 995931033 /nfs/dbraw/zinc/93/10/33/995931033.db2.gz LRSOYRHGDFZERK-HNNXBMFYSA-N -1 0 349.471 3.903 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)C(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])c1 ZINC001593636051 995935984 /nfs/dbraw/zinc/93/59/84/995935984.db2.gz IRURNKJXTBMFHF-NQYLQCIDSA-N -1 0 347.455 3.727 20 0 EHADRM C[C@H](Oc1cccc(Cl)c1)C(=O)OCc1ccsc1C(=O)[O-] ZINC001593639924 995944637 /nfs/dbraw/zinc/94/46/37/995944637.db2.gz ZUHSCXXBLCVOIN-VIFPVBQESA-N -1 0 340.784 3.610 20 0 EHADRM C[C@@H](Oc1ccccc1Cl)C(=O)OCc1cccc(C(=O)[O-])c1 ZINC001593650674 996007676 /nfs/dbraw/zinc/00/76/76/996007676.db2.gz GHWAEJJITQBPSO-LLVKDONJSA-N -1 0 334.755 3.549 20 0 EHADRM C[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC001593652577 996017618 /nfs/dbraw/zinc/01/76/18/996017618.db2.gz YKOPDCNKGUZDFN-RYUDHWBXSA-N -1 0 347.798 3.934 20 0 EHADRM C[C@@H](Oc1ccccc1CNc1cncc(C(F)(F)F)c1)C(=O)[O-] ZINC001593652347 996017847 /nfs/dbraw/zinc/01/78/47/996017847.db2.gz XIHFZVREPFIEBK-SNVBAGLBSA-N -1 0 340.301 3.564 20 0 EHADRM C[C@@H](SCC(=O)NC1(C(=O)[O-])CCCCC1)c1ccc(F)cc1 ZINC001593659576 996035867 /nfs/dbraw/zinc/03/58/67/996035867.db2.gz VCMNSRANKWOZCX-GFCCVEGCSA-N -1 0 339.432 3.524 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N1CC(C2CCCC2)C1)C(=O)[O-] ZINC001593667557 996058546 /nfs/dbraw/zinc/05/85/46/996058546.db2.gz GUSPVABSIUWIJE-GFCCVEGCSA-N -1 0 333.453 3.514 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N1CC2(CCC2)[C@@H]1C1CC1)C(=O)[O-] ZINC001593668294 996062516 /nfs/dbraw/zinc/06/25/16/996062516.db2.gz PPGQUUPGTCLYRQ-WBMJQRKESA-N -1 0 345.464 3.657 20 0 EHADRM CC(C)c1cnc(S[C@H](C)C(=O)C(C)(C)C(=O)[O-])n1C(C)C ZINC001593678235 996090794 /nfs/dbraw/zinc/09/07/94/996090794.db2.gz GVNFLHWKPKAXLG-LLVKDONJSA-N -1 0 326.462 3.748 20 0 EHADRM C[C@H](Sc1nc(C(F)(F)F)ccc1C(=O)[O-])C(=O)c1ccco1 ZINC001593680193 996106702 /nfs/dbraw/zinc/10/67/02/996106702.db2.gz WZXXMPCCMRQZGI-ZETCQYMHSA-N -1 0 345.298 3.755 20 0 EHADRM C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001593685690 996117673 /nfs/dbraw/zinc/11/76/73/996117673.db2.gz AQGWIQJGQYIUIB-ZOCIIQOWSA-N -1 0 337.419 3.984 20 0 EHADRM C[C@H](c1ccc(Cl)cc1Cl)N(C)c1ccnc(C(=O)[O-])n1 ZINC001593694523 996150673 /nfs/dbraw/zinc/15/06/73/996150673.db2.gz XKPUTGYXUDRGBY-MRVPVSSYSA-N -1 0 326.183 3.679 20 0 EHADRM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001593698755 996166439 /nfs/dbraw/zinc/16/64/39/996166439.db2.gz MSVJXFRVXUGCDH-NSHDSACASA-N -1 0 347.802 3.587 20 0 EHADRM C[C@@H](c1ccccc1)N(C(=O)CCSCC(=O)[O-])C1CCCC1 ZINC001593704886 996185884 /nfs/dbraw/zinc/18/58/84/996185884.db2.gz DOQVBHXDXRAENQ-AWEZNQCLSA-N -1 0 335.469 3.727 20 0 EHADRM C[C@H](c1nc2cc(Cl)ccc2[nH]1)N(C)Cc1ccoc1C(=O)[O-] ZINC001593733033 996317322 /nfs/dbraw/zinc/31/73/22/996317322.db2.gz BPQJSWGODQCIOK-SECBINFHSA-N -1 0 333.775 3.701 20 0 EHADRM C[C@H](c1ncc(C(=O)[O-])s1)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001593737974 996341121 /nfs/dbraw/zinc/34/11/21/996341121.db2.gz UVYHYTZVUUKTNQ-ZDMBXUJBSA-N -1 0 334.363 3.567 20 0 EHADRM C[C@@]1(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CCCc2ccccc21 ZINC001593757958 996410931 /nfs/dbraw/zinc/41/09/31/996410931.db2.gz FZUUEIYJVSQFGB-LJQANCHMSA-N -1 0 345.345 3.896 20 0 EHADRM CC(C)(C)c1ccc(/C=C\C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)cc1 ZINC001593765893 996443682 /nfs/dbraw/zinc/44/36/82/996443682.db2.gz AIADNCQGKXLUSN-NHHWLVAYSA-N -1 0 329.440 3.711 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCc1c(Cl)cccc1Cl ZINC000655544325 1016045722 /nfs/dbraw/zinc/04/57/22/1016045722.db2.gz NYQBPRNEGICFJG-WDEREUQCSA-N -1 0 344.238 3.638 20 0 EHADRM COC(=O)CCC[C@@H]1CCC[C@H](Nc2ccc(C(=O)[O-])cc2OC)C1 ZINC001598850739 996601681 /nfs/dbraw/zinc/60/16/81/996601681.db2.gz GVASUPRFPKHEOJ-ZFWWWQNUSA-N -1 0 349.427 3.707 20 0 EHADRM CC1(C)CC(C)(C)c2cc(NC(=O)c3ccnc(C(=O)[O-])c3)ccc21 ZINC001593849177 996623145 /nfs/dbraw/zinc/62/31/45/996623145.db2.gz IOHZPCQRAVBWOM-UHFFFAOYSA-N -1 0 338.407 3.991 20 0 EHADRM CC1(C)CC(CNC(=O)Cc2ccccc2C(=O)[O-])CC(C)(C)C1 ZINC001593852973 996629427 /nfs/dbraw/zinc/62/94/27/996629427.db2.gz FTSRJDXMBXKWKA-UHFFFAOYSA-N -1 0 331.456 3.896 20 0 EHADRM CC1(C)C[C@]1(NC(=O)NCCCCCCC(=O)[O-])c1ccccc1 ZINC001593868875 996675827 /nfs/dbraw/zinc/67/58/27/996675827.db2.gz QMRCJTUTVMKMEG-IBGZPJMESA-N -1 0 332.444 3.646 20 0 EHADRM CC1(C)CCC[C@@](NC(=O)CCc2ccc3[nH]ccc3c2)(C(=O)[O-])C1 ZINC001593891056 996735497 /nfs/dbraw/zinc/73/54/97/996735497.db2.gz INKKKRAIYCKDQX-FQEVSTJZSA-N -1 0 342.439 3.640 20 0 EHADRM CC(C)(C)c1ncc(C(=O)N[C@@]2(C(=O)[O-])CCCC(C)(C)C2)s1 ZINC001593892653 996742587 /nfs/dbraw/zinc/74/25/87/996742587.db2.gz RDTPSCFMKUCYMH-KRWDZBQOSA-N -1 0 338.473 3.594 20 0 EHADRM CC1(C)CCC[C@@H]1[C@H]1CCN(C(=O)c2ccsc2CC(=O)[O-])C1 ZINC001593896739 996755024 /nfs/dbraw/zinc/75/50/24/996755024.db2.gz AUIZRUANHSLUFK-GXTWGEPZSA-N -1 0 335.469 3.664 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1F ZINC000443459474 1016061746 /nfs/dbraw/zinc/06/17/46/1016061746.db2.gz ZOZPDCKPNSXKDQ-UHFFFAOYSA-N -1 0 348.321 3.603 20 0 EHADRM CC1(C)CCc2ccccc2[C@@H](NC(=O)NC2CC(CC(=O)[O-])C2)C1 ZINC001593916039 996816281 /nfs/dbraw/zinc/81/62/81/996816281.db2.gz JWWDIVMANLNUEN-PGEKIEPBSA-N -1 0 344.455 3.643 20 0 EHADRM COc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCCC(C)(C)C2)c(Cl)c1 ZINC001599484681 996826400 /nfs/dbraw/zinc/82/64/00/996826400.db2.gz ZAEIHNHRDUUCOG-KRWDZBQOSA-N -1 0 339.819 3.502 20 0 EHADRM COc1ccc(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)cc1Cl ZINC001599485466 996841460 /nfs/dbraw/zinc/84/14/60/996841460.db2.gz AWYGYFRCVSQEBF-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM COc1ccc(C(=O)Nc2cc(F)cc(C(=O)[O-])c2F)cc1Cl ZINC001599485470 996841699 /nfs/dbraw/zinc/84/16/99/996841699.db2.gz BALLMJMBSSATKK-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM CC1(C)CCN(CCOc2ccccc2C(=O)[O-])c2ccccc21 ZINC001593923671 996842163 /nfs/dbraw/zinc/84/21/63/996842163.db2.gz RODZPNMUGGBUFR-UHFFFAOYSA-N -1 0 325.408 3.952 20 0 EHADRM CC1(C)CN(C(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)Cc2ccccc21 ZINC001593926363 996856846 /nfs/dbraw/zinc/85/68/46/996856846.db2.gz CMIRMVYNYCPKQL-AVRDEDQJSA-N -1 0 349.430 3.565 20 0 EHADRM CC1(C)CN(C(=O)Nc2cc(C(=O)[O-])cs2)c2cc(F)ccc21 ZINC001593934463 996900831 /nfs/dbraw/zinc/90/08/31/996900831.db2.gz KYQDQPSYVYCTQR-UHFFFAOYSA-N -1 0 334.372 3.915 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@@H]2[C@H](C)[C@@H]2c2ccccc2)c1F ZINC001599490174 996923898 /nfs/dbraw/zinc/92/38/98/996923898.db2.gz SZEXMFHVXZWCDK-VCTAVGKDSA-N -1 0 343.354 3.521 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1cccc2ccsc21 ZINC001599386244 996950306 /nfs/dbraw/zinc/95/03/06/996950306.db2.gz IWUPKLIBBBYDFZ-UHFFFAOYSA-N -1 0 327.361 3.860 20 0 EHADRM COCc1cc(NC(=S)N[C@@H](C)c2ccccc2)cc(C(=O)[O-])c1 ZINC001599287632 997007631 /nfs/dbraw/zinc/00/76/31/997007631.db2.gz BVEKBRBWTQRUNR-LBPRGKRZSA-N -1 0 344.436 3.579 20 0 EHADRM COCc1cc(N[C@@H](C(=O)[O-])c2ccccc2Cl)ccc1OC ZINC001599287837 997011708 /nfs/dbraw/zinc/01/17/08/997011708.db2.gz ITUPKVYNGJTXJE-MRXNPFEDSA-N -1 0 335.787 3.733 20 0 EHADRM COc1ccc(C(=O)[O-])c2c1CN(C(=O)C1(C)CCCCCC1)CC2 ZINC001599495991 997021302 /nfs/dbraw/zinc/02/13/02/997021302.db2.gz AHHXZSSARMWGPG-UHFFFAOYSA-N -1 0 345.439 3.639 20 0 EHADRM COc1cc(C)c([C@H](C)OC(=O)c2cc(C(=O)[O-])oc2C)cc1C ZINC001599390882 997033269 /nfs/dbraw/zinc/03/32/69/997033269.db2.gz SHDJCHKQBPVKAC-NSHDSACASA-N -1 0 332.352 3.830 20 0 EHADRM COCc1cc(N[C@@H]2Cc3ccc(Cl)cc3C2)cc(C(=O)[O-])c1 ZINC001599289533 997039526 /nfs/dbraw/zinc/03/95/26/997039526.db2.gz HIEDRBIFSUWNHV-QGZVFWFLSA-N -1 0 331.799 3.764 20 0 EHADRM COc1cc(C)cc(CNC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001599391611 997047743 /nfs/dbraw/zinc/04/77/43/997047743.db2.gz ATFZQNALZNOYDO-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM COCc1cc(NCCCc2ccc3c(c2)CCO3)cc(C(=O)[O-])c1 ZINC001599290000 997047937 /nfs/dbraw/zinc/04/79/37/997047937.db2.gz WJFHZYULUSRUHT-UHFFFAOYSA-N -1 0 341.407 3.511 20 0 EHADRM COc1ccc(C(=O)[O-])c2c1CN(Cc1cscc1Cl)CC2 ZINC001599498378 997060355 /nfs/dbraw/zinc/06/03/55/997060355.db2.gz MEXACNFFRREGGF-UHFFFAOYSA-N -1 0 337.828 3.667 20 0 EHADRM COc1cc(C)ccc1CNC(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC001599393349 997078544 /nfs/dbraw/zinc/07/85/44/997078544.db2.gz KJFUGOZAENFSGI-UHFFFAOYSA-N -1 0 342.395 3.640 20 0 EHADRM CC1(C)COc2ccc(C(=O)NCC3(CC(=O)[O-])CCCCC3)cc21 ZINC001593960901 997083155 /nfs/dbraw/zinc/08/31/55/997083155.db2.gz PEHBQRIVLQVCHC-UHFFFAOYSA-N -1 0 345.439 3.512 20 0 EHADRM CO[C@]1(C)C[C@H](N(C)C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)C1(C)C ZINC001599085193 997084986 /nfs/dbraw/zinc/08/49/86/997084986.db2.gz JNAXZCHEHHKLEP-HNAYVOBHSA-N -1 0 348.443 3.669 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)C[C@@H]1CCCC[C@@H]1C ZINC001599396251 997131561 /nfs/dbraw/zinc/13/15/61/997131561.db2.gz MAKUXHYIBCUMJU-MXOYHRSNSA-N -1 0 332.396 3.915 20 0 EHADRM COCc1csc(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC001599300264 997219168 /nfs/dbraw/zinc/21/91/68/997219168.db2.gz XYNLGWBIEXJURD-CYBMUJFWSA-N -1 0 340.784 3.531 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OCCCc1cccc(F)c1 ZINC001599401825 997228306 /nfs/dbraw/zinc/22/83/06/997228306.db2.gz YREUNUUCDFNVEL-CSKARUKUSA-N -1 0 330.355 3.944 20 0 EHADRM CC1(C)[C@@H](CNC(=O)/C=C/c2cc(C(=O)[O-])co2)[C@@H]1c1ccccc1 ZINC001593987937 997236117 /nfs/dbraw/zinc/23/61/17/997236117.db2.gz JSGFMMAANBBXOA-LFGVRAQPSA-N -1 0 339.391 3.547 20 0 EHADRM C[C@@]1(CC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1(Cl)Cl ZINC001593996552 997308816 /nfs/dbraw/zinc/30/88/16/997308816.db2.gz YSOVWGVOBRSBHN-BXUZGUMPSA-N -1 0 336.259 3.500 20 0 EHADRM C[C@]1(CC(=O)OCc2ccc(C(=O)[O-])cc2F)CC1(Cl)Cl ZINC001593998600 997329910 /nfs/dbraw/zinc/32/99/10/997329910.db2.gz VHEHDZXTTHVXRM-ZDUSSCGKSA-N -1 0 335.158 3.541 20 0 EHADRM COC1CCC(C(=O)O[C@@H]2CCCc3cc(C(=O)[O-])ccc32)CC1 ZINC001599099734 997359781 /nfs/dbraw/zinc/35/97/81/997359781.db2.gz USPZHSMSVJWNKQ-MWHAMWOXSA-N -1 0 332.396 3.511 20 0 EHADRM COC1CCC(CC(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC001599100084 997366168 /nfs/dbraw/zinc/36/61/68/997366168.db2.gz METAMJNLQCNLJF-UHFFFAOYSA-N -1 0 326.776 3.539 20 0 EHADRM CO[C@@H]1CCC[C@@H](C(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)C1 ZINC001599101794 997398575 /nfs/dbraw/zinc/39/85/75/997398575.db2.gz BUCKOWFBFJSKRR-BRWVUGGUSA-N -1 0 339.476 3.512 20 0 EHADRM COc1cc(CNC(=O)N[C@@H](C)C2CCCCCC2)ccc1C(=O)[O-] ZINC001599411764 997435099 /nfs/dbraw/zinc/43/50/99/997435099.db2.gz RZZFPBUFIKBMSI-ZDUSSCGKSA-N -1 0 348.443 3.552 20 0 EHADRM COc1ccc([C@@H](NC(=O)/C(C)=C/C(C)(C)C)C(=O)[O-])cc1Cl ZINC001599521341 997486454 /nfs/dbraw/zinc/48/64/54/997486454.db2.gz SIMBDFJIVYFGOW-ATWMFIQVSA-N -1 0 339.819 3.583 20 0 EHADRM CO[C@@H]1CCC[C@H](CC(=O)Nc2c(C)sc(C)c2C(=O)[O-])C1 ZINC001599112241 997589819 /nfs/dbraw/zinc/58/98/19/997589819.db2.gz LMBPZIVRFFDTAT-NWDGAFQWSA-N -1 0 325.430 3.597 20 0 EHADRM CO[C@@H]1CCC[C@@H](CC(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC001599112525 997594970 /nfs/dbraw/zinc/59/49/70/997594970.db2.gz NPYYZTNAGCZVNE-GHMZBOCLSA-N -1 0 326.776 3.539 20 0 EHADRM CO[C@@H]1CCC[C@H](CC(=O)Nc2scc(C3CC3)c2C(=O)[O-])C1 ZINC001599112540 997595859 /nfs/dbraw/zinc/59/58/59/997595859.db2.gz NTRLTQUOHGSFOD-CMPLNLGQSA-N -1 0 337.441 3.858 20 0 EHADRM CO[C@@H]1CCCC[C@H]1C(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001599116420 997661873 /nfs/dbraw/zinc/66/18/73/997661873.db2.gz WDWYHDCOZXUBDF-ZACQAIPSSA-N -1 0 332.396 3.511 20 0 EHADRM COCCCC1(CNc2cc(C(=O)[O-])cc3cccnc32)CCC1 ZINC001599222401 997694146 /nfs/dbraw/zinc/69/41/46/997694146.db2.gz BZFNONKIPSKJLQ-UHFFFAOYSA-N -1 0 328.412 3.942 20 0 EHADRM COCCCC[C@@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccccc1 ZINC001599223339 997711408 /nfs/dbraw/zinc/71/14/08/997711408.db2.gz JVKDDOJCZUEJBY-KZNAEPCWSA-N -1 0 347.455 3.552 20 0 EHADRM COc1ccc(C)cc1[C@H](C)OC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001599535904 997743838 /nfs/dbraw/zinc/74/38/38/997743838.db2.gz JBSKFCYPQDGHFV-MDAWKPQNSA-N -1 0 332.396 3.643 20 0 EHADRM COc1c(C)cc(Cl)cc1NC(=O)NC1(CC(=O)[O-])CCCC1 ZINC001599331909 997761915 /nfs/dbraw/zinc/76/19/15/997761915.db2.gz XBTBGOLSMFXDNP-UHFFFAOYSA-N -1 0 340.807 3.566 20 0 EHADRM COc1cc(NC(=O)[C@H](Cc2ccccc2)C(C)C)ccc1C(=O)[O-] ZINC001599433436 997799710 /nfs/dbraw/zinc/79/97/10/997799710.db2.gz SIIOGMWBXMILPP-QGZVFWFLSA-N -1 0 341.407 3.847 20 0 EHADRM COc1cc(NC(=O)N2CC(C)(C)[C@H]2c2ccco2)ccc1C(=O)[O-] ZINC001599433898 997807844 /nfs/dbraw/zinc/80/78/44/997807844.db2.gz NOTHPZQSZOOZPR-OAHLLOKOSA-N -1 0 344.367 3.601 20 0 EHADRM COC(=O)c1cc(CNc2ccc(CCC(=O)[O-])cc2)[nH]c1C(C)C ZINC001598933289 997811095 /nfs/dbraw/zinc/81/10/95/997811095.db2.gz FWFMNKSPOMTMNF-UHFFFAOYSA-N -1 0 344.411 3.554 20 0 EHADRM COc1ccc(/C=C(/C)C(=O)NC2(CC(=O)[O-])CCCCC2)cc1F ZINC001599540895 997840610 /nfs/dbraw/zinc/84/06/10/997840610.db2.gz IKBBFEMHVPVKBY-RAXLEYEMSA-N -1 0 349.402 3.531 20 0 EHADRM COC(=O)c1cc(CSC[C@@H]2CC2(Cl)Cl)cc(C(=O)[O-])c1 ZINC001598934748 997841952 /nfs/dbraw/zinc/84/19/52/997841952.db2.gz QUQLOOSQOBXTFK-NSHDSACASA-N -1 0 349.235 3.598 20 0 EHADRM COc1cc(NC(=O)N2CC[C@@H]2c2cccc(F)c2)ccc1C(=O)[O-] ZINC001599436207 997850732 /nfs/dbraw/zinc/85/07/32/997850732.db2.gz YCLQTZFTBGEJBS-OAHLLOKOSA-N -1 0 344.342 3.511 20 0 EHADRM COc1ccc(/C=C(\C)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1F ZINC001599541807 997856228 /nfs/dbraw/zinc/85/62/28/997856228.db2.gz RGCXSSJZBSFQEM-XYOKQWHBSA-N -1 0 343.354 3.883 20 0 EHADRM COc1cc(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc2ccccc21 ZINC001599437273 997869496 /nfs/dbraw/zinc/86/94/96/997869496.db2.gz IIQUEELQZBHXIQ-CQSZACIVSA-N -1 0 344.411 3.717 20 0 EHADRM COc1ccc(/C=C/C(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)cc1 ZINC001599543962 997892084 /nfs/dbraw/zinc/89/20/84/997892084.db2.gz KVVQTTYDBTXFIR-YFTXEMMHSA-N -1 0 326.348 3.711 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)/C=C/c1ccccc1F ZINC001599544494 997900490 /nfs/dbraw/zinc/90/04/90/997900490.db2.gz SQWBUJLANZDWDG-AMMQDNIMSA-N -1 0 342.322 3.551 20 0 EHADRM COc1c(NC(=O)c2cc(F)c(Cl)cc2F)cccc1C(=O)[O-] ZINC001599341379 997927944 /nfs/dbraw/zinc/92/79/44/997927944.db2.gz AJCDYWJXIIYLGN-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OCc1cc(C)nc(Cl)c1 ZINC001599547049 997940188 /nfs/dbraw/zinc/94/01/88/997940188.db2.gz RMCHDMCBHMEHND-GQCTYLIASA-N -1 0 333.771 3.729 20 0 EHADRM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001594076836 997950989 /nfs/dbraw/zinc/95/09/89/997950989.db2.gz PHBZCXRQHSSSAB-FXAWDEMLSA-N -1 0 349.390 3.718 20 0 EHADRM COc1cc(NC(=O)c2ccc(-c3ccco3)s2)ccc1C(=O)[O-] ZINC001599442759 997956452 /nfs/dbraw/zinc/95/64/52/997956452.db2.gz YSTMZCKORIKSDR-UHFFFAOYSA-N -1 0 343.360 3.967 20 0 EHADRM COc1cc(NCc2cccc(C(=O)[O-])c2Cl)c(C)c(OC)c1 ZINC001599443857 997975271 /nfs/dbraw/zinc/97/52/71/997975271.db2.gz OSIRUMRFFFHJHO-UHFFFAOYSA-N -1 0 335.787 3.976 20 0 EHADRM COc1cc(OC(=O)[C@H](C)CCc2ccc(F)cc2)ccc1C(=O)[O-] ZINC001599445780 998007196 /nfs/dbraw/zinc/00/71/96/998007196.db2.gz IIQXXDCWUSNYKQ-GFCCVEGCSA-N -1 0 346.354 3.707 20 0 EHADRM COc1cc(OC(=O)Cc2csc3ccccc23)ccc1C(=O)[O-] ZINC001599445889 998008854 /nfs/dbraw/zinc/00/88/54/998008854.db2.gz OGFOTRUUHLZODL-UHFFFAOYSA-N -1 0 342.372 3.756 20 0 EHADRM COc1cc(OC(=O)[C@H](C)c2ccc(Cl)s2)ccc1C(=O)[O-] ZINC001599446007 998011328 /nfs/dbraw/zinc/01/13/28/998011328.db2.gz LYERMIXACTVJMW-MRVPVSSYSA-N -1 0 340.784 3.817 20 0 EHADRM COc1cc(OC(=O)[C@@H]2CCSc3ccccc32)ccc1C(=O)[O-] ZINC001599446395 998016115 /nfs/dbraw/zinc/01/61/15/998016115.db2.gz ZDJQVWGGXTWHBR-CYBMUJFWSA-N -1 0 344.388 3.578 20 0 EHADRM CC1=C(C(=O)[O-])[C@@H](c2cccc3ccccc32)NC(=O)N1CC1CC1 ZINC001594097430 998071359 /nfs/dbraw/zinc/07/13/59/998071359.db2.gz AVNIZCKYVHCGEN-GOSISDBHSA-N -1 0 336.391 3.675 20 0 EHADRM O=C(Nc1ccc(Cn2cccn2)cc1)c1ccc([O-])c(Cl)c1 ZINC000109619966 1016186561 /nfs/dbraw/zinc/18/65/61/1016186561.db2.gz VYPGUHDKRKPEAN-UHFFFAOYSA-N -1 0 327.771 3.543 20 0 EHADRM CC1=C(C(=O)[O-])C[C@H](CN2CCc3c2cccc3-c2ccccc2)O1 ZINC001594105009 998156628 /nfs/dbraw/zinc/15/66/28/998156628.db2.gz RXVIYTFGVKHTRL-MRXNPFEDSA-N -1 0 335.403 3.864 20 0 EHADRM COc1cc(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)ccc1F ZINC001599355723 998176067 /nfs/dbraw/zinc/17/60/67/998176067.db2.gz ILCHMVKTCDJAAV-UHFFFAOYSA-N -1 0 339.322 3.938 20 0 EHADRM COc1cc(C(=O)Nc2ccccc2C(=O)[O-])cc(OC)c1C(C)C ZINC001599355815 998177071 /nfs/dbraw/zinc/17/70/71/998177071.db2.gz LNIZVXDTHXPMNF-UHFFFAOYSA-N -1 0 343.379 3.778 20 0 EHADRM CC1=C(C)C[C@](C)(C(=O)N2CCOc3cc(C(=O)[O-])ccc3C2)CC1 ZINC001594110449 998211539 /nfs/dbraw/zinc/21/15/39/998211539.db2.gz VWMZRZIYTNZCGK-HXUWFJFHSA-N -1 0 343.423 3.632 20 0 EHADRM CC1=C(c2ccco2)CN(Cc2nc3cc(C(=O)[O-])ccc3[nH]2)CC1 ZINC001594110719 998213809 /nfs/dbraw/zinc/21/38/09/998213809.db2.gz ZSWGLVFWFNIQDI-UHFFFAOYSA-N -1 0 337.379 3.534 20 0 EHADRM CC1=CCN(C(=O)Nc2cc(-c3ccncc3)sc2C(=O)[O-])CC1 ZINC001594114742 998241211 /nfs/dbraw/zinc/24/12/11/998241211.db2.gz GBVQTMAKGKPFJD-UHFFFAOYSA-N -1 0 343.408 3.692 20 0 EHADRM C[C@@H]1[C@@H](C(=O)N2c3ccccc3C[C@H](C)[C@@H]2C(=O)[O-])[C@@H]1c1ccccc1 ZINC001594134360 998365399 /nfs/dbraw/zinc/36/53/99/998365399.db2.gz AUJZFPSVPMHQHV-UVPINQTDSA-N -1 0 349.430 3.715 20 0 EHADRM COc1cc2ccccc2cc1C(=O)Nc1cnc(C)c(C(=O)[O-])c1 ZINC001599466688 998374248 /nfs/dbraw/zinc/37/42/48/998374248.db2.gz QJUAWDZUSBNUGH-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N(CC1CC1)C1CCCCC1 ZINC001599369749 998391494 /nfs/dbraw/zinc/39/14/94/998391494.db2.gz ADHSMTIYXCCMHY-UHFFFAOYSA-N -1 0 346.427 3.970 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)C/C=C/c1ccc(F)cc1 ZINC001599370123 998395621 /nfs/dbraw/zinc/39/56/21/998395621.db2.gz QXQFEKUQVWRJJH-NSCUHMNNSA-N -1 0 329.327 3.575 20 0 EHADRM COc1ccc(-c2nc(-c3cc(C(=O)[O-])co3)no2)c2ccccc12 ZINC001599470148 998436391 /nfs/dbraw/zinc/43/63/91/998436391.db2.gz AXCCRAQBVBHILM-UHFFFAOYSA-N -1 0 336.303 3.857 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1cc2cc(F)ccc2o1 ZINC001599373999 998457399 /nfs/dbraw/zinc/45/73/99/998457399.db2.gz GQSHYXBZBDLIFK-UHFFFAOYSA-N -1 0 329.283 3.531 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NCc1cccc(OC(C)(C)C)n1 ZINC001599375405 998477136 /nfs/dbraw/zinc/47/71/36/998477136.db2.gz TWECWBHKNOKSEN-UHFFFAOYSA-N -1 0 330.384 3.578 20 0 EHADRM COc1ccc(-n2ccnc2S[C@@H](CC(C)(C)C)C(=O)[O-])cc1 ZINC001599474031 998497276 /nfs/dbraw/zinc/49/72/76/998497276.db2.gz FFCCBJUBDVQNAD-AWEZNQCLSA-N -1 0 334.441 3.862 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC001599377898 998518966 /nfs/dbraw/zinc/51/89/66/998518966.db2.gz OJILXYQFHIUVJB-LSDHHAIUSA-N -1 0 344.338 3.632 20 0 EHADRM COc1ccc(Br)c(OC[C@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC001599476042 998533124 /nfs/dbraw/zinc/53/31/24/998533124.db2.gz WFOVKEPOSSLAQG-PWSUYJOCSA-N -1 0 343.217 3.728 20 0 EHADRM COc1ccc(F)c2[nH]c(C(=O)Nc3cccc(C(=O)[O-])c3C)cc21 ZINC001599582198 998550715 /nfs/dbraw/zinc/55/07/15/998550715.db2.gz NRMZJJKGJOBWNV-UHFFFAOYSA-N -1 0 342.326 3.575 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccc(OCC2CCCCC2)cc1 ZINC001594159155 998591128 /nfs/dbraw/zinc/59/11/28/998591128.db2.gz PTBCKOXRQJEAFB-RDTXWAMCSA-N -1 0 345.439 3.581 20 0 EHADRM C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001594172570 998662684 /nfs/dbraw/zinc/66/26/84/998662684.db2.gz FOIBBYMSXMMVHT-LDYMZIIASA-N -1 0 348.296 3.719 20 0 EHADRM C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccsc1C(=O)[O-] ZINC001594173159 998665614 /nfs/dbraw/zinc/66/56/14/998665614.db2.gz LYCDCYBGDWZSTA-JGVFFNPUSA-N -1 0 336.335 3.641 20 0 EHADRM C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(C(=O)[O-])s1 ZINC001594174674 998669648 /nfs/dbraw/zinc/66/96/48/998669648.db2.gz SNRQPAMIFZWHPG-HTQZYQBOSA-N -1 0 336.335 3.641 20 0 EHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@H]1Nc1cnn(-c2ccccc2Cl)c1 ZINC001594184080 998713065 /nfs/dbraw/zinc/71/30/65/998713065.db2.gz FAGROVWXISBSBG-LALPHHSUSA-N -1 0 333.819 3.827 20 0 EHADRM CC1CC(C(=O)Nc2cc(C(=O)[O-])ccn2)(c2cccc(Cl)c2)C1 ZINC001594203182 998782549 /nfs/dbraw/zinc/78/25/49/998782549.db2.gz FJGILNIZMZUHFY-UHFFFAOYSA-N -1 0 344.798 3.740 20 0 EHADRM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1C(=O)CC1CC(c2ccccc2)C1 ZINC001594207071 998796821 /nfs/dbraw/zinc/79/68/21/998796821.db2.gz WFXQHSZGBRJSSR-LXTOLFJKSA-N -1 0 329.440 3.671 20 0 EHADRM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1C(=O)c1ccc(OC(C)(C)C)cc1 ZINC001594207172 998797362 /nfs/dbraw/zinc/79/73/62/998797362.db2.gz XISQEDIBYPVHHY-CHWSQXEVSA-N -1 0 333.428 3.578 20 0 EHADRM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001594213117 998822451 /nfs/dbraw/zinc/82/24/51/998822451.db2.gz AVJXDXBDAUCZAE-VGKBRBPRSA-N -1 0 343.467 3.918 20 0 EHADRM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001594216285 998831891 /nfs/dbraw/zinc/83/18/91/998831891.db2.gz VPAJEXLORLBWJM-SUMWQHHRSA-N -1 0 344.455 3.667 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)[C@H]1C[C@H](C)C[C@H](C)C1)C(=O)[O-] ZINC001594219776 998844602 /nfs/dbraw/zinc/84/46/02/998844602.db2.gz QJRQDACUFBTZAA-HPFXQQBRSA-N -1 0 331.456 3.808 20 0 EHADRM C[C@H]1C[C@H](CNC(=O)Nc2cccc(CCC(=O)[O-])c2)C[C@@H](C)C1 ZINC001594223334 998861202 /nfs/dbraw/zinc/86/12/02/998861202.db2.gz UOVWLXUIUPYTCZ-FOLVSLTJSA-N -1 0 332.444 3.898 20 0 EHADRM C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@@](C)(C(=O)[O-])C2)CC(C)(C)C1 ZINC001594232484 998885696 /nfs/dbraw/zinc/88/56/96/998885696.db2.gz KXRDFSHUZLIOTO-SPYBWZPUSA-N -1 0 338.492 3.735 20 0 EHADRM C[C@@H]1C[C@@H](CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])CC(C)(C)C1 ZINC001594232651 998886780 /nfs/dbraw/zinc/88/67/80/998886780.db2.gz OSCCBDCOJNBOFH-RVKKMQEKSA-N -1 0 343.467 3.877 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)NCCCCCC(=O)[O-])C[C@@H](c2ccccc2)C1 ZINC001594255048 998982495 /nfs/dbraw/zinc/98/24/95/998982495.db2.gz ISTAJDJWMXZYCV-RYQLBKOJSA-N -1 0 346.471 3.903 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)NCCCCCC(=O)[O-])C[C@H](c2ccccc2)C1 ZINC001594255046 998982639 /nfs/dbraw/zinc/98/26/39/998982639.db2.gz ISTAJDJWMXZYCV-CGTJXYLNSA-N -1 0 346.471 3.903 20 0 EHADRM C[C@H]1C[C@@H](NC(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CCS1 ZINC001594258503 998995830 /nfs/dbraw/zinc/99/58/30/998995830.db2.gz VCYFAZVUANKQDD-RYUDHWBXSA-N -1 0 344.436 3.944 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)c2ccc(C(=O)[O-])o2)C[C@H](c2ccccc2)C1 ZINC001594260038 999001048 /nfs/dbraw/zinc/00/10/48/999001048.db2.gz LIKCHYOUNOZNAD-NWANDNLSSA-N -1 0 327.380 3.680 20 0 EHADRM CO[C@@H](C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1Cl)C1CCCC1 ZINC001599026730 999021617 /nfs/dbraw/zinc/02/16/17/999021617.db2.gz LHHZTECWYZYYKY-CYBMUJFWSA-N -1 0 346.210 3.835 20 0 EHADRM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1ncc(C(=O)[O-])cc1Cl ZINC001594266471 999033708 /nfs/dbraw/zinc/03/37/08/999033708.db2.gz PBQGGGPRLODVES-ZWNOBZJWSA-N -1 0 334.778 3.955 20 0 EHADRM CO[C@](C)(C(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1)c1ccccc1 ZINC001599029566 999040490 /nfs/dbraw/zinc/04/04/90/999040490.db2.gz HFMCQBFIBMQHNY-FQEVSTJZSA-N -1 0 342.391 3.516 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C1 ZINC001594270038 999043184 /nfs/dbraw/zinc/04/31/84/999043184.db2.gz PAWOHTKHPDZIGW-QDEZUTFSSA-N -1 0 348.418 3.562 20 0 EHADRM C[C@@H]1C[C@H](c2cccnc2)N(C(=O)Nc2cc(C(=O)[O-])ccc2F)C1 ZINC001594270141 999043872 /nfs/dbraw/zinc/04/38/72/999043872.db2.gz QUCKWXIDJAWSGR-BDJLRTHQSA-N -1 0 343.358 3.534 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)N(C(=O)CCc2ccccc2C(=O)[O-])C1 ZINC001594270473 999044800 /nfs/dbraw/zinc/04/48/00/999044800.db2.gz VAUQNUBNRNPOCQ-DNVCBOLYSA-N -1 0 337.419 3.927 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)CCc2ccccc2C(=O)[O-])C1 ZINC001594270472 999044995 /nfs/dbraw/zinc/04/49/95/999044995.db2.gz VAUQNUBNRNPOCQ-BEFAXECRSA-N -1 0 337.419 3.927 20 0 EHADRM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1 ZINC001594274660 999060863 /nfs/dbraw/zinc/06/08/63/999060863.db2.gz BXHPLDUVDQVKAD-GJQVQUKXSA-N -1 0 342.420 3.739 20 0 EHADRM C[C@@H]1C[C@H]1c1cc(NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)n[nH]1 ZINC001594277373 999073384 /nfs/dbraw/zinc/07/33/84/999073384.db2.gz OZSKILSJLCUNHN-ZWNOBZJWSA-N -1 0 342.399 3.539 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CNC(=O)NCCCCC2(C(=O)[O-])CCC2)o1 ZINC001594279823 999085407 /nfs/dbraw/zinc/08/54/07/999085407.db2.gz LKVFXMGGTHGCSN-ZFWWWQNUSA-N -1 0 348.443 3.627 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CN(Cc2ncc(C(=O)[O-])s2)C2CC2)o1 ZINC001594279876 999086014 /nfs/dbraw/zinc/08/60/14/999086014.db2.gz MOFCCOXZAYKENC-GXFFZTMASA-N -1 0 332.425 3.722 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001594290783 999119529 /nfs/dbraw/zinc/11/95/29/999119529.db2.gz FNFHKACCHCHICB-KFNAQCHYSA-N -1 0 334.391 3.638 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)N[C@@H](CC(=O)[O-])C2CCCC2)c1 ZINC001599041580 999121655 /nfs/dbraw/zinc/12/16/55/999121655.db2.gz ZAZPDAJNRWIPJQ-WBMJQRKESA-N -1 0 334.416 3.549 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2ccc(C(=O)[O-])n2C)C[C@H]1C ZINC001594291251 999122023 /nfs/dbraw/zinc/12/20/23/999122023.db2.gz FMRUTINKRXFVNL-AIANPOQGSA-N -1 0 346.471 3.849 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)N(Cc2ccccc2)C(C)(C)C(=O)[O-])C[C@@H]1C ZINC001594291987 999126271 /nfs/dbraw/zinc/12/62/71/999126271.db2.gz MSKPNKDLQNAYCI-VYDXJSESSA-N -1 0 331.456 3.951 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C[C@H]1C ZINC001594295181 999135418 /nfs/dbraw/zinc/13/54/18/999135418.db2.gz FBXXBIQNDINWBI-KFWWJZLASA-N -1 0 344.455 3.996 20 0 EHADRM CO[C@H]([C@H](C)NC(=O)Nc1cccc2cc(C(=O)[O-])sc21)C1CC1 ZINC001599044582 999142090 /nfs/dbraw/zinc/14/20/90/999142090.db2.gz ZTDQEDMKXFCLRX-LKFCYVNXSA-N -1 0 348.424 3.535 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)O[C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC001594297586 999147845 /nfs/dbraw/zinc/14/78/45/999147845.db2.gz YHEYEASHNVHTNJ-GBIKHYSHSA-N -1 0 330.302 3.811 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001594298621 999151204 /nfs/dbraw/zinc/15/12/04/999151204.db2.gz IXMNQTUBPDJHKY-COXVUDFISA-N -1 0 333.428 3.801 20 0 EHADRM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001594299296 999155533 /nfs/dbraw/zinc/15/55/33/999155533.db2.gz XAHHLFMJKIEYPN-PSASIEDQSA-N -1 0 349.736 3.841 20 0 EHADRM CC(C)Oc1c(NC(=O)N2C[C@H](C)CC[C@@H]2C)cccc1C(=O)[O-] ZINC001594299681 999156978 /nfs/dbraw/zinc/15/69/78/999156978.db2.gz FWBNJOIMUCXCME-OLZOCXBDSA-N -1 0 334.416 3.824 20 0 EHADRM CO[C@@H](CNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccccc1 ZINC001599050112 999181421 /nfs/dbraw/zinc/18/14/21/999181421.db2.gz RJKDOJJURTULNB-HNNXBMFYSA-N -1 0 348.786 3.547 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)nc1 ZINC000116603544 1033714366 /nfs/dbraw/zinc/71/43/66/1033714366.db2.gz BPKNIQNICVJWLI-UHFFFAOYSA-N -1 0 328.846 3.566 20 0 EHADRM C[C@H]1CC[C@H](CNC(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC001594307566 999188189 /nfs/dbraw/zinc/18/81/89/999188189.db2.gz BPFVOVQFQGNMLM-KBPBESRZSA-N -1 0 345.443 3.543 20 0 EHADRM C[C@@H]1CC[C@@H](NC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)[C@@H](C)C1 ZINC001594312331 999198554 /nfs/dbraw/zinc/19/85/54/999198554.db2.gz AAFWTKKCZHZKJD-JRPNMDOOSA-N -1 0 329.400 3.812 20 0 EHADRM C[C@@H]1CC[C@@](NC(=O)C2CCC=CCC2)(C(=O)[O-])c2ccccc21 ZINC001594321161 999234019 /nfs/dbraw/zinc/23/40/19/999234019.db2.gz NOTLJHAPIWYBCR-VLIAUNLRSA-N -1 0 327.424 3.726 20 0 EHADRM C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001594329929 999267792 /nfs/dbraw/zinc/26/77/92/999267792.db2.gz GUWXCUYMFPIYPM-CZUORRHYSA-N -1 0 339.395 3.785 20 0 EHADRM CC1CCC(OCC(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)CC1 ZINC001594330121 999268975 /nfs/dbraw/zinc/26/89/75/999268975.db2.gz JPLXIIZPHTZOAV-UHFFFAOYSA-N -1 0 343.782 3.711 20 0 EHADRM C[C@@H]1CCC[C@@H]1CC(=O)Oc1ccc(Br)cc1C(=O)[O-] ZINC001594360441 999362804 /nfs/dbraw/zinc/36/28/04/999362804.db2.gz VBDCCWMLZMISQM-NXEZZACHSA-N -1 0 341.201 3.879 20 0 EHADRM C[C@@H]1CCC[C@H]1CNC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001594360422 999362914 /nfs/dbraw/zinc/36/29/14/999362914.db2.gz UROQEQSOGKKWSR-HIFRSBDPSA-N -1 0 345.443 3.543 20 0 EHADRM C[C@H]1CCCC[C@@H]1CC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O ZINC001594363579 999372538 /nfs/dbraw/zinc/37/25/38/999372538.db2.gz HMMLYDVSWNOISK-VHSXEESVSA-N -1 0 325.792 3.899 20 0 EHADRM C[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001594365917 999382712 /nfs/dbraw/zinc/38/27/12/999382712.db2.gz LMLWWBMQUHAQOK-ZFWWWQNUSA-N -1 0 345.443 3.685 20 0 EHADRM C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)N1CCC(CC(=O)[O-])CC1 ZINC001594388811 999472319 /nfs/dbraw/zinc/47/23/19/999472319.db2.gz NSUYNAKFIMPBQJ-KUHUBIRLSA-N -1 0 344.455 3.596 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cc(C(=O)[O-])ccn2)CC12CCCCC2 ZINC001594402708 999509190 /nfs/dbraw/zinc/50/91/90/999509190.db2.gz HIUGRMYGKZKFCP-CYBMUJFWSA-N -1 0 331.416 3.604 20 0 EHADRM C[C@H]1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c2ccccc2S1 ZINC001594406888 999524456 /nfs/dbraw/zinc/52/44/56/999524456.db2.gz IMDJMQHAEOQZIC-IHRRRGAJSA-N -1 0 333.453 3.795 20 0 EHADRM C[C@H]1CCN(C(=O)c2cccc(SC(F)(F)F)c2)[C@H](C(=O)[O-])C1 ZINC001594411323 999535414 /nfs/dbraw/zinc/53/54/14/999535414.db2.gz LIKMENSMAYMPOM-CABZTGNLSA-N -1 0 347.358 3.624 20 0 EHADRM Cc1ccc(C2CC2)c(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000655573818 1016367627 /nfs/dbraw/zinc/36/76/27/1016367627.db2.gz BHORRZHOCAFJSD-OAUYIBNBSA-N -1 0 329.440 3.738 20 0 EHADRM C[C@H](NC(=O)c1cccc(-c2ccoc2)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655573802 1016368148 /nfs/dbraw/zinc/36/81/48/1016368148.db2.gz BAHXEYHLFKDKEK-AFAVFJNCSA-N -1 0 341.407 3.812 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cnn([C@H](C)C3CC3)c2)ccc1Cl ZINC000655576817 1016396037 /nfs/dbraw/zinc/39/60/37/1016396037.db2.gz VGNLVXKPRHQLBC-LLVKDONJSA-N -1 0 339.848 3.617 20 0 EHADRM C[C@H](NC(=O)C[C@H]1CCCc2ccccc21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655580330 1016440468 /nfs/dbraw/zinc/44/04/68/1016440468.db2.gz LMOLVSXMVDRYJI-UNQWWWNPSA-N -1 0 343.467 3.748 20 0 EHADRM Cc1cccc(C(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)c1F ZINC000471277253 1016460468 /nfs/dbraw/zinc/46/04/68/1016460468.db2.gz ITUATBAYJGTPGJ-UHFFFAOYSA-N -1 0 347.802 3.980 20 0 EHADRM CCSc1cccc(F)c1[N-]S(=O)(=O)c1cc(C)ns1 ZINC000634657822 1016479497 /nfs/dbraw/zinc/47/94/97/1016479497.db2.gz CRAJPSLIIUUJCN-UHFFFAOYSA-N -1 0 332.447 3.503 20 0 EHADRM CC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000007056215 1016532326 /nfs/dbraw/zinc/53/23/26/1016532326.db2.gz IJGPJHFZPFUZIR-UHFFFAOYSA-N -1 0 343.326 3.709 20 0 EHADRM Cn1c2ccc(NC(=O)c3cccc(F)c3[O-])cc2nc1C(C)(C)C ZINC001267358577 1032148730 /nfs/dbraw/zinc/14/87/30/1032148730.db2.gz ZMWQZHOOADWDES-UHFFFAOYSA-N -1 0 341.386 3.968 20 0 EHADRM C[C@H](NC(=O)N=c1[n-]nc(-c2ccco2)s1)c1ccc(Cl)cc1 ZINC000510241003 1016607529 /nfs/dbraw/zinc/60/75/29/1016607529.db2.gz LOGQHKLWLGKNCT-VIFPVBQESA-N -1 0 348.815 3.756 20 0 EHADRM Cc1cc(Br)c(O)c(NC(=O)C2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000182912228 1032149010 /nfs/dbraw/zinc/14/90/10/1032149010.db2.gz SJFBVDOUXPSGNY-ZACCUICWSA-N -1 0 342.233 3.605 20 0 EHADRM Cc1nnc(-c2ccccc2C(=O)Nc2cccc(Cl)c2[O-])o1 ZINC000179725480 1016880755 /nfs/dbraw/zinc/88/07/55/1016880755.db2.gz BEQWEAFHKPXSLY-UHFFFAOYSA-N -1 0 329.743 3.656 20 0 EHADRM CCOc1ccccc1NC(=O)N=c1[n-]nc(-c2ccccc2)s1 ZINC000547827176 1016970704 /nfs/dbraw/zinc/97/07/04/1016970704.db2.gz BDGSGPSCXXONBE-UHFFFAOYSA-N -1 0 340.408 3.670 20 0 EHADRM CCN(C(=O)c1sc(-c2ccc(C)cc2C)nc1C)[C@@H](C)C(=O)[O-] ZINC000659771465 1016993577 /nfs/dbraw/zinc/99/35/77/1016993577.db2.gz LEGKIYITXHXRRG-ZDUSSCGKSA-N -1 0 346.452 3.671 20 0 EHADRM Cc1ccc([C@H](NC(=O)N(C)CCCC(=O)[O-])c2ccccc2)cc1 ZINC000414599890 1017003895 /nfs/dbraw/zinc/00/38/95/1017003895.db2.gz NSJDLCVEHXZNOA-LJQANCHMSA-N -1 0 340.423 3.591 20 0 EHADRM CC(C)(NC(=O)NCCCCCC(=O)[O-])c1cccc(Cl)c1 ZINC000414609374 1017008985 /nfs/dbraw/zinc/00/89/85/1017008985.db2.gz LXDWSGSUGDJUNA-UHFFFAOYSA-N -1 0 326.824 3.519 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1noc2c1CCCC2 ZINC000659793356 1017023863 /nfs/dbraw/zinc/02/38/63/1017023863.db2.gz QZVPFTRDXWOCNA-QGZVFWFLSA-N -1 0 328.412 3.591 20 0 EHADRM Cc1ccc(CN(C(=O)NCCCCCC(=O)[O-])C(C)C)s1 ZINC000414619641 1017069683 /nfs/dbraw/zinc/06/96/83/1017069683.db2.gz BRQRIZYDZOWUDR-UHFFFAOYSA-N -1 0 326.462 3.622 20 0 EHADRM CCOc1ccc(CNCc2cccc(O)c2Br)cc1 ZINC000459482471 1032176717 /nfs/dbraw/zinc/17/67/17/1032176717.db2.gz XPUUZOJMLWVWCD-UHFFFAOYSA-N -1 0 336.229 3.843 20 0 EHADRM N=c1[n-]nc(-c2ccc(OCC3CCC(C(F)(F)F)CC3)cc2)o1 ZINC000461047906 1032228292 /nfs/dbraw/zinc/22/82/92/1032228292.db2.gz IITFJGITBDWASL-UHFFFAOYSA-N -1 0 341.333 3.897 20 0 EHADRM Cc1ccc(C(C)(C)CC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000449143689 1032248321 /nfs/dbraw/zinc/24/83/21/1032248321.db2.gz XLGURRFPMZYVML-MRXNPFEDSA-N -1 0 331.456 3.766 20 0 EHADRM CC(C)[C@H](NC(=O)N=c1nc(C(C)(C)C)[n-]s1)c1ccccc1 ZINC000584373583 1032257639 /nfs/dbraw/zinc/25/76/39/1032257639.db2.gz UVZWKNLKSJBVNB-ZDUSSCGKSA-N -1 0 332.473 3.776 20 0 EHADRM COc1ncc(Nc2ccc(C(=O)[O-])cc2C)cc1Br ZINC001211615325 1032267096 /nfs/dbraw/zinc/26/70/96/1032267096.db2.gz JCMOJRDECFPXME-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cccc3c2ccn3C)c1Cl ZINC000538297782 1032278975 /nfs/dbraw/zinc/27/89/75/1032278975.db2.gz BTGSNBYEYGNXOZ-UHFFFAOYSA-N -1 0 334.828 3.941 20 0 EHADRM Cc1ccc(C(=O)Nc2n[nH]c(-c3cc4ccccc4o3)n2)cc1F ZINC000485109532 1032320499 /nfs/dbraw/zinc/32/04/99/1032320499.db2.gz QFNCZHSJBQCABQ-UHFFFAOYSA-N -1 0 336.326 3.918 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)Nc1cccc(C2CCOCC2)c1)C(=O)[O-] ZINC000905052990 1032327150 /nfs/dbraw/zinc/32/71/50/1032327150.db2.gz ATAGGOFBYYRMJG-SUMWQHHRSA-N -1 0 348.443 3.592 20 0 EHADRM O=c1nc(-c2ccc(OC3CCCCC3)cc2)[n-]c2csnc21 ZINC000905031952 1032331112 /nfs/dbraw/zinc/33/11/12/1032331112.db2.gz SEJMGLWZGBMTKF-UHFFFAOYSA-N -1 0 327.409 3.758 20 0 EHADRM C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)N=c1[n-]ncs1 ZINC000461244491 1032345263 /nfs/dbraw/zinc/34/52/63/1032345263.db2.gz KHSQYCPLSPCJDV-AWEZNQCLSA-N -1 0 338.436 3.755 20 0 EHADRM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)C2)cc1 ZINC000905124490 1032353082 /nfs/dbraw/zinc/35/30/82/1032353082.db2.gz VKJZBLAIQMOKRA-BGTYHANMSA-N -1 0 329.440 3.590 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)N[C@H]1CCc2cccc3cccc1c32)C(=O)[O-] ZINC000905126488 1032356252 /nfs/dbraw/zinc/35/62/52/1032356252.db2.gz PLIFWKLNUHCTMD-MKBNYLNASA-N -1 0 343.448 3.538 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000263028189 1032411379 /nfs/dbraw/zinc/41/13/79/1032411379.db2.gz KEFRISSDGYNCIN-UHFFFAOYSA-N -1 0 347.459 3.832 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)c2ccccc2CCC(F)(F)F)C1 ZINC000263041801 1032417781 /nfs/dbraw/zinc/41/77/81/1032417781.db2.gz QJFGUUSORPXTMC-INIZCTEOSA-N -1 0 343.345 3.508 20 0 EHADRM O=S(=O)(NCc1ccccc1Cl)c1cccc(Cl)c1F ZINC000032401885 1032421564 /nfs/dbraw/zinc/42/15/64/1032421564.db2.gz LHFHZTFFPGKBNA-UHFFFAOYSA-N -1 0 334.199 3.611 20 0 EHADRM O=C([O-])CCCCCNC(=O)N1CCC[C@@H]1CCCc1ccccc1 ZINC000414629330 1017081780 /nfs/dbraw/zinc/08/17/80/1017081780.db2.gz QSPQTWJZFNWIDZ-SFHVURJKSA-N -1 0 346.471 3.828 20 0 EHADRM O=C([O-])CCCCCNC(=O)N1CCCCC[C@H]1c1ccccc1 ZINC000414631335 1017092174 /nfs/dbraw/zinc/09/21/74/1017092174.db2.gz WATGNCGVKXPXLY-KRWDZBQOSA-N -1 0 332.444 3.958 20 0 EHADRM C/C(=C/C(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1Cl ZINC000236626002 1017095758 /nfs/dbraw/zinc/09/57/58/1017095758.db2.gz MNHIPBKADLXYIK-YBEMTRGBSA-N -1 0 335.831 3.847 20 0 EHADRM O=C(Nc1cccc2cnccc21)c1cccc(Br)c1[O-] ZINC000592829862 1032583018 /nfs/dbraw/zinc/58/30/18/1032583018.db2.gz HKIBCLNDEUIBLW-UHFFFAOYSA-N -1 0 343.180 3.955 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)Nc1cccc(C(F)F)c1Cl)C(=O)[O-] ZINC000601995302 1032587059 /nfs/dbraw/zinc/58/70/59/1032587059.db2.gz YMLPOSJOWMMUCK-NKWVEPMBSA-N -1 0 337.775 3.811 20 0 EHADRM CCS[C@H]1CCCC[C@H]1NC(=O)c1c(C)ccc(C)c1C(=O)[O-] ZINC000601999659 1032587268 /nfs/dbraw/zinc/58/72/68/1032587268.db2.gz JVRKYKXLCWKKBP-KGLIPLIRSA-N -1 0 335.469 3.796 20 0 EHADRM COc1ccc(OC(C)C)c(NC(=O)CC2(C(=O)[O-])CCCCC2)c1 ZINC000592823878 1032592987 /nfs/dbraw/zinc/59/29/87/1032592987.db2.gz AQKWFQOLSYZSHP-UHFFFAOYSA-N -1 0 349.427 3.846 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(OCCF)c2)sc1C ZINC000091018923 1032617563 /nfs/dbraw/zinc/61/75/63/1032617563.db2.gz HSFUMXBPGJJIHJ-UHFFFAOYSA-N -1 0 329.418 3.514 20 0 EHADRM Cc1ccccc1C([O-])=CS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000172358592 1032619255 /nfs/dbraw/zinc/61/92/55/1032619255.db2.gz BFWWTQZEPAMFAN-UHFFFAOYSA-N -1 0 342.338 3.670 20 0 EHADRM CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1ccc(CC)s1 ZINC000592975435 1032619759 /nfs/dbraw/zinc/61/97/59/1032619759.db2.gz XOAAIHZLTWLNHX-UHFFFAOYSA-N -1 0 349.481 3.871 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cn(C)nc2-c2ccccc2)s1 ZINC000091055909 1032629461 /nfs/dbraw/zinc/62/94/61/1032629461.db2.gz BQJSAHCWDYSIEA-UHFFFAOYSA-N -1 0 347.465 3.512 20 0 EHADRM Cn1cc([N-]S(=O)(=O)c2cccc(Cl)c2)c(-c2ccccc2)n1 ZINC000091055994 1032630764 /nfs/dbraw/zinc/63/07/64/1032630764.db2.gz OZKJULMTHDRXKB-UHFFFAOYSA-N -1 0 347.827 3.541 20 0 EHADRM O=C([O-])CCCCCNC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000414630449 1017090627 /nfs/dbraw/zinc/09/06/27/1017090627.db2.gz TZORPCYPGSJCRN-OAHLLOKOSA-N -1 0 338.835 3.832 20 0 EHADRM CC[C@H]1C[C@@H](C)CN1C(=O)N=c1[n-]nc(-c2cc(F)ccc2C)s1 ZINC000471356441 1017187542 /nfs/dbraw/zinc/18/75/42/1017187542.db2.gz HVQLMWIYBLCFDV-MFKMUULPSA-N -1 0 348.447 3.727 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)NCc1ccc(Cl)cc1 ZINC000170301284 1017208192 /nfs/dbraw/zinc/20/81/92/1017208192.db2.gz UEQCMBZGWKIZNL-ZDUSSCGKSA-N -1 0 346.814 3.525 20 0 EHADRM CN(C[C@H]1CCCC[C@@H]1O)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000183452331 1017331430 /nfs/dbraw/zinc/33/14/30/1017331430.db2.gz CWSMKBDVNWGNRQ-PXAZEXFGSA-N -1 0 347.842 3.822 20 0 EHADRM O=C([O-])[C@H](NCc1cnc(C2CCC2)s1)c1cc(F)ccc1F ZINC000669471445 1032691714 /nfs/dbraw/zinc/69/17/14/1032691714.db2.gz KJTXRJVIOXFQAX-CQSZACIVSA-N -1 0 338.379 3.604 20 0 EHADRM CCC(CC)S(=O)(=O)Nc1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000547937440 1017445693 /nfs/dbraw/zinc/44/56/93/1017445693.db2.gz GGPYCHABLJLZNT-UHFFFAOYSA-N -1 0 340.228 3.622 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C1CCCCC1 ZINC000537403723 1032704263 /nfs/dbraw/zinc/70/42/63/1032704263.db2.gz WUYHYGXQMSCQIL-YOEHRIQHSA-N -1 0 349.496 3.955 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C/C=C\c1cccc(F)c1)C1CCCCC1 ZINC000537401867 1032704734 /nfs/dbraw/zinc/70/47/34/1032704734.db2.gz AMFSHSGNVZTUKD-XTKXOIQPSA-N -1 0 333.403 3.769 20 0 EHADRM Cc1c(NC(=O)[C@@H](C)Oc2ccccc2Cl)cccc1C(=O)[O-] ZINC000320165287 1017783649 /nfs/dbraw/zinc/78/36/49/1017783649.db2.gz POKJIEXLYZSNQN-LLVKDONJSA-N -1 0 333.771 3.753 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1Cc2ccccc2C(F)(F)C1 ZINC000683628628 1017798268 /nfs/dbraw/zinc/79/82/68/1017798268.db2.gz ZGROFAHOPBUMDJ-UHFFFAOYSA-N -1 0 341.716 3.933 20 0 EHADRM Cc1cc(Br)c(S(=O)(=O)[N-]c2ccccc2)s1 ZINC000460445508 1017865108 /nfs/dbraw/zinc/86/51/08/1017865108.db2.gz SQKHQIZAWQCADB-UHFFFAOYSA-N -1 0 332.244 3.620 20 0 EHADRM CC(C)[C@@H](CNC(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1)C(=O)[O-] ZINC000655897131 1017874497 /nfs/dbraw/zinc/87/44/97/1017874497.db2.gz RTRJLQXZKVRIDM-SJORKVTESA-N -1 0 344.455 3.670 20 0 EHADRM CC(C)C[C@@H]1CCCCN1C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655902128 1017882742 /nfs/dbraw/zinc/88/27/42/1017882742.db2.gz NLTZYFDXOXAXAI-YHUYYLMFSA-N -1 0 338.492 3.732 20 0 EHADRM O=c1c2ccc(Cl)cc2nc2n1CC/C2=C/c1cc(O)cc(F)c1 ZINC000471453897 1017909491 /nfs/dbraw/zinc/90/94/91/1017909491.db2.gz WELJCCDCFZBSLW-WZUFQYTHSA-N -1 0 342.757 3.839 20 0 EHADRM O=C(Nc1nc2c(s1)CCCCC2)c1cc(=O)c2ccccc2[n-]1 ZINC000041865989 1018282828 /nfs/dbraw/zinc/28/28/28/1018282828.db2.gz AAAFYFVLJBKITJ-UHFFFAOYSA-N -1 0 339.420 3.918 20 0 EHADRM CC[C@H](C)[C@H](C)N(C(=O)c1nn(-c2ccccc2F)cc1[O-])C1CC1 ZINC000468620424 1018349710 /nfs/dbraw/zinc/34/97/10/1018349710.db2.gz SXIAODKVJMBIMS-STQMWFEESA-N -1 0 345.418 3.756 20 0 EHADRM COc1cccc(Cc2nc(=O)c3snc(-c4ccccc4)c3[n-]2)c1 ZINC000548030027 1018388839 /nfs/dbraw/zinc/38/88/39/1018388839.db2.gz LAMHYHIITKMBSR-UHFFFAOYSA-N -1 0 349.415 3.646 20 0 EHADRM COCC[C@H]1CCCCN(C(=O)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000584539244 1018435574 /nfs/dbraw/zinc/43/55/74/1018435574.db2.gz NGDJBBLWHDMSQH-GFCCVEGCSA-N -1 0 345.361 3.690 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1Cc1cc(-c2ccco2)on1 ZINC000584541490 1018542422 /nfs/dbraw/zinc/54/24/22/1018542422.db2.gz KMRLSCOLQXXWTF-HOCLYGCPSA-N -1 0 344.411 3.790 20 0 EHADRM CC(C)c1nc(=Nc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)s[n-]1 ZINC000580061070 1018579207 /nfs/dbraw/zinc/57/92/07/1018579207.db2.gz AUOXUQJQUSTFHZ-HUUCEWRRSA-N -1 0 333.457 3.509 20 0 EHADRM CCOc1cccc2cc([C@H](C)NC(=O)C(CC)(CC)C(=O)[O-])oc21 ZINC000653302184 1018593306 /nfs/dbraw/zinc/59/33/06/1018593306.db2.gz KHRAYTJPOGDNFM-LBPRGKRZSA-N -1 0 347.411 3.900 20 0 EHADRM C[C@H](CN(C(=O)c1cc2cc(Cl)ccc2s1)C1CC1)C(=O)[O-] ZINC000659141529 1018620394 /nfs/dbraw/zinc/62/03/94/1018620394.db2.gz DAWVIKWXAGAOOO-SECBINFHSA-N -1 0 337.828 3.880 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)CCSc2ccccc2F)c1 ZINC000325530009 1032772655 /nfs/dbraw/zinc/77/26/55/1032772655.db2.gz RIJKASBGKKMGBN-UHFFFAOYSA-N -1 0 347.411 3.964 20 0 EHADRM CN(CC1CCCCC1)C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000046660645 1018726406 /nfs/dbraw/zinc/72/64/06/1018726406.db2.gz LRSWEHBYKGFHRR-UHFFFAOYSA-N -1 0 331.441 3.650 20 0 EHADRM C[C@H](Oc1cccc(C(=O)/C=C/c2c(F)cccc2F)c1)C(=O)[O-] ZINC000062692687 1032788042 /nfs/dbraw/zinc/78/80/42/1032788042.db2.gz MHKKUFMJXJBATB-FBOQAHMBSA-N -1 0 332.302 3.713 20 0 EHADRM CO[C@H](C)c1nc(=N[C@@H](C)c2ccc(Br)s2)s[n-]1 ZINC000509906490 1018918306 /nfs/dbraw/zinc/91/83/06/1018918306.db2.gz ZVFKNQODLXAUOG-NKWVEPMBSA-N -1 0 348.291 3.665 20 0 EHADRM Cc1c(Cl)c(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)nn1C ZINC000580301010 1018957897 /nfs/dbraw/zinc/95/78/97/1018957897.db2.gz NUSXEWIKZQJPIM-UHFFFAOYSA-N -1 0 334.832 3.638 20 0 EHADRM Cc1cc(C)cc(C2(C(=O)[N-]S(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000048455580 1018977602 /nfs/dbraw/zinc/97/76/02/1018977602.db2.gz PWNVACCIBUODDI-UHFFFAOYSA-N -1 0 347.411 3.820 20 0 EHADRM COC(=O)c1c(Nc2cc(Cl)c([O-])c(Cl)c2)cncc1OC ZINC001210928036 1019068227 /nfs/dbraw/zinc/06/82/27/1019068227.db2.gz XYXMYVBGPZSMPS-UHFFFAOYSA-N -1 0 343.166 3.633 20 0 EHADRM CC[C@@H](NC(=O)N=c1[n-]nc(C(C)(C)C)s1)c1ccc(OC)cc1 ZINC000340653256 1019096660 /nfs/dbraw/zinc/09/66/60/1019096660.db2.gz GDXFGDNZTSUHNN-CYBMUJFWSA-N -1 0 348.472 3.539 20 0 EHADRM CC[C@H](CC(=O)[N-]S(=O)(=O)c1cc(C)ccc1C)c1ccccc1 ZINC000729066459 1019172754 /nfs/dbraw/zinc/17/27/54/1019172754.db2.gz RSKBIPHXCBSOBO-MRXNPFEDSA-N -1 0 345.464 3.692 20 0 EHADRM Cc1cc(C)c([N-]S(=O)(=O)c2ncccc2C(F)(F)F)c(C)c1 ZINC000647122168 1019173174 /nfs/dbraw/zinc/17/31/74/1019173174.db2.gz IRVBQWJGTNDAAS-UHFFFAOYSA-N -1 0 344.358 3.826 20 0 EHADRM CCOc1c(CNc2ccc(C)c(C(=O)[O-])c2)c(C)nn1CC(C)C ZINC000340677649 1019180448 /nfs/dbraw/zinc/18/04/48/1019180448.db2.gz SUQAVYPRTIMLLN-UHFFFAOYSA-N -1 0 345.443 3.865 20 0 EHADRM C[C@H]1CN(C(=O)c2sc3ccccc3c2Cl)CC[C@H]1C(=O)[O-] ZINC000319572455 1019192866 /nfs/dbraw/zinc/19/28/66/1019192866.db2.gz RBYQMBZWGXUCDY-VHSXEESVSA-N -1 0 337.828 3.738 20 0 EHADRM CC(C)c1cc([N-]S(=O)(=O)c2ccccc2)n(-c2ccccc2)n1 ZINC000580373210 1019213026 /nfs/dbraw/zinc/21/30/26/1019213026.db2.gz KAELVPOLWJFQBC-UHFFFAOYSA-N -1 0 341.436 3.797 20 0 EHADRM C[C@H](CC(=O)[N-]S(=O)(=O)c1cccc2ncccc21)CC(C)(C)C ZINC000729204894 1019233338 /nfs/dbraw/zinc/23/33/38/1019233338.db2.gz NNCDUXABGUUNJN-CYBMUJFWSA-N -1 0 348.468 3.502 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000683921248 1019241629 /nfs/dbraw/zinc/24/16/29/1019241629.db2.gz PTRHYHTTXSRKJX-INIZCTEOSA-N -1 0 346.814 3.808 20 0 EHADRM COc1cc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)ccc1Cl ZINC000683922192 1019256072 /nfs/dbraw/zinc/25/60/72/1019256072.db2.gz OLSWIGPATWQMFL-CYBMUJFWSA-N -1 0 333.771 3.546 20 0 EHADRM O=C([N-][C@@H](COc1ccccc1F)c1ccccc1)C(F)(F)F ZINC000729321132 1019289462 /nfs/dbraw/zinc/28/94/62/1019289462.db2.gz RLUOWZMTQZVYGZ-ZDUSSCGKSA-N -1 0 327.277 3.624 20 0 EHADRM Cc1oc([C@@H](C)N2CCO[C@@H](c3ccccc3C)C2)cc1C(=O)[O-] ZINC000515659985 1032824196 /nfs/dbraw/zinc/82/41/96/1032824196.db2.gz HRCJWLVRSSLJAJ-FZKQIMNGSA-N -1 0 329.396 3.729 20 0 EHADRM CCC(=O)c1cccc([N-]S(=O)(=O)c2cnc3ccsc3c2)c1 ZINC000433619438 1019428772 /nfs/dbraw/zinc/42/87/72/1019428772.db2.gz WOFRZTHQTRSPHZ-UHFFFAOYSA-N -1 0 346.433 3.690 20 0 EHADRM CO[C@@H](CS(=O)(=O)[N-]c1cccc(Cl)c1OC(C)C)C(C)C ZINC000647127263 1019467724 /nfs/dbraw/zinc/46/77/24/1019467724.db2.gz CGKXQAUKXYYCKN-AWEZNQCLSA-N -1 0 349.880 3.540 20 0 EHADRM CCCCC1CCC(NC(=O)N=c2nc([C@H](C)OC)[n-]s2)CC1 ZINC000580499996 1019498803 /nfs/dbraw/zinc/49/88/03/1019498803.db2.gz VSMPIXDVRRIIEX-HIFPTAJRSA-N -1 0 340.493 3.538 20 0 EHADRM COCc1nc(=N[C@H](C)c2ccc(-c3csc(C)n3)cc2)s[n-]1 ZINC000433769357 1019583816 /nfs/dbraw/zinc/58/38/16/1019583816.db2.gz TYAFWPDJELYSJZ-SNVBAGLBSA-N -1 0 346.481 3.711 20 0 EHADRM COC(=O)c1[n-]c(=N[C@H](C)c2cc3cccc(F)c3o2)sc1C ZINC000433817528 1019654701 /nfs/dbraw/zinc/65/47/01/1019654701.db2.gz HHCTTYUPRBGHEY-MRVPVSSYSA-N -1 0 334.372 3.718 20 0 EHADRM CCC[C@H](CNC(=O)c1cc(Cl)ccc1SCC)C(=O)[O-] ZINC000263202138 1019838365 /nfs/dbraw/zinc/83/83/65/1019838365.db2.gz NUOMMYCHGXMGKO-SNVBAGLBSA-N -1 0 329.849 3.683 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)NCC1CCC(c2ccccc2)CC1)C1CC1 ZINC000580692564 1019860869 /nfs/dbraw/zinc/86/08/69/1019860869.db2.gz PQKVDLPATBJWTH-UQPPLGOBSA-N -1 0 344.455 3.608 20 0 EHADRM O=C(N[C@H](c1cc(F)ccc1F)C(F)F)c1c([O-])cc(F)cc1F ZINC000684071095 1020051652 /nfs/dbraw/zinc/05/16/52/1020051652.db2.gz KSBBNCQJJWRXTD-CYBMUJFWSA-N -1 0 349.230 3.685 20 0 EHADRM CCC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000728310607 1020226296 /nfs/dbraw/zinc/22/62/96/1020226296.db2.gz OURCHIMTUWHLLM-RISCZKNCSA-N -1 0 345.468 3.713 20 0 EHADRM CC[C@@](C)(NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000548146331 1020268998 /nfs/dbraw/zinc/26/89/98/1020268998.db2.gz KBYNROCEKZANHR-SNVBAGLBSA-N -1 0 349.296 3.715 20 0 EHADRM O=C(NCCc1csc2ccccc12)c1cc(F)cc(F)c1[O-] ZINC001625986072 1032892114 /nfs/dbraw/zinc/89/21/14/1032892114.db2.gz AWNZJDAZBVCSRF-UHFFFAOYSA-N -1 0 333.359 3.858 20 0 EHADRM CCc1c(C(=O)Nc2ccc3[n-]c(=S)oc3c2)[nH]c(C)c1C(C)=O ZINC000160733361 1020369307 /nfs/dbraw/zinc/36/93/07/1020369307.db2.gz UTJMBQOMYZFSNY-UHFFFAOYSA-N -1 0 343.408 3.770 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1F ZINC000055678518 1020545554 /nfs/dbraw/zinc/54/55/54/1020545554.db2.gz FGDZVYCMBSBCJE-UHFFFAOYSA-N -1 0 329.780 3.679 20 0 EHADRM CC1=C(C(=O)N[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])CCC1 ZINC000345847452 1020553623 /nfs/dbraw/zinc/55/36/23/1020553623.db2.gz USBNUMVAELWUND-AWEZNQCLSA-N -1 0 342.222 3.606 20 0 EHADRM CCC(CC)c1nnc([N-]C(=O)c2c(F)ccc(O)c2F)s1 ZINC000280676888 1020577579 /nfs/dbraw/zinc/57/75/79/1020577579.db2.gz CDMMXVSYNSBQRD-UHFFFAOYSA-N -1 0 327.356 3.678 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cc2cc(C)ccc2nc1C ZINC000345891871 1020592611 /nfs/dbraw/zinc/59/26/11/1020592611.db2.gz SSZRSOZTLIETGF-UHFFFAOYSA-N -1 0 328.412 3.615 20 0 EHADRM CCc1cc(C)c(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)o1 ZINC000345904994 1020601302 /nfs/dbraw/zinc/60/13/02/1020601302.db2.gz KWSZJCPJFJRRRE-CQSZACIVSA-N -1 0 335.787 3.750 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1C ZINC000340929950 1020645043 /nfs/dbraw/zinc/64/50/43/1020645043.db2.gz BKZCYELUFJXNJI-SNVBAGLBSA-N -1 0 343.399 3.901 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCCC[C@@H](C)C3)n2)c1 ZINC000501070239 1020686556 /nfs/dbraw/zinc/68/65/56/1020686556.db2.gz RTAPOGLMSHJBPQ-OAHLLOKOSA-N -1 0 341.455 3.964 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000261887347 1020753997 /nfs/dbraw/zinc/75/39/97/1020753997.db2.gz NIGHLXQWYMFSAQ-LBPRGKRZSA-N -1 0 333.359 3.597 20 0 EHADRM Cc1c(C(=O)N2CC[C@](C(=O)[O-])(C(C)C)C2)sc2cccc(F)c12 ZINC000261741358 1020757763 /nfs/dbraw/zinc/75/77/63/1020757763.db2.gz SVWQIFCDNSCFNP-GOSISDBHSA-N -1 0 349.427 3.922 20 0 EHADRM CC(C)CN=c1[n-]nc(SCc2cnc3ccccc3c2)s1 ZINC000537467318 1032930893 /nfs/dbraw/zinc/93/08/93/1032930893.db2.gz LIIQUZDHARTUBS-UHFFFAOYSA-N -1 0 330.482 3.868 20 0 EHADRM O=C(NCC1(Cc2ccccc2)CCC1)c1s[n-]c(=O)c1Cl ZINC000581442526 1020920219 /nfs/dbraw/zinc/92/02/19/1020920219.db2.gz JKXXYXMWLMJOGZ-UHFFFAOYSA-N -1 0 336.844 3.645 20 0 EHADRM COc1cc(/C=C\C(=O)c2cccc(Cl)c2)ccc1OCC(=O)[O-] ZINC000211763459 1021015781 /nfs/dbraw/zinc/01/57/81/1021015781.db2.gz MWEZEKNZKREBOB-ALCCZGGFSA-N -1 0 346.766 3.708 20 0 EHADRM CCCOc1cncc(-c2ccc(OC)c(C3(C(=O)[O-])CC3)c2)c1 ZINC000581499981 1021020052 /nfs/dbraw/zinc/02/00/52/1021020052.db2.gz ZFOBDPARPGXBGB-UHFFFAOYSA-N -1 0 327.380 3.662 20 0 EHADRM CCc1onc(C)c1[N-]S(=O)(=O)c1cccc(O[C@H](C)CC)c1 ZINC000656626101 1021060743 /nfs/dbraw/zinc/06/07/43/1021060743.db2.gz HZSWGKXLTFGLHV-LLVKDONJSA-N -1 0 338.429 3.524 20 0 EHADRM CCn1ccc([N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)n1 ZINC000656634826 1021065004 /nfs/dbraw/zinc/06/50/04/1021065004.db2.gz HUTCFTHBDIMZDF-UHFFFAOYSA-N -1 0 348.255 3.627 20 0 EHADRM CC(C)n1cc(S(=O)(=O)[N-]c2ccc3c(c2)C=CCCC3)cn1 ZINC000656636127 1021065242 /nfs/dbraw/zinc/06/52/42/1021065242.db2.gz UAACPNMGHWFDTJ-UHFFFAOYSA-N -1 0 331.441 3.614 20 0 EHADRM CCCN(C(=O)N[C@@H]1CCSc2ccccc21)[C@H](CC)C(=O)[O-] ZINC000581584927 1021113029 /nfs/dbraw/zinc/11/30/29/1021113029.db2.gz HWLNSUFYOQDPHF-ZIAGYGMSSA-N -1 0 336.457 3.508 20 0 EHADRM Cc1n[n-]c(=NC(=O)N2CC=C(c3ccc(Cl)cc3C)CC2)s1 ZINC000528867764 1032960433 /nfs/dbraw/zinc/96/04/33/1032960433.db2.gz MVZWBOJOGLMGID-UHFFFAOYSA-N -1 0 348.859 3.551 20 0 EHADRM O=S(=O)([N-]c1nccn1-c1ccccc1)c1ccc2ccccc2c1 ZINC000430621198 1021209746 /nfs/dbraw/zinc/20/97/46/1021209746.db2.gz CFFXUTOAELMEIR-UHFFFAOYSA-N -1 0 349.415 3.826 20 0 EHADRM CCCCC[C@@H]1CCCN1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000427203524 1021210477 /nfs/dbraw/zinc/21/04/77/1021210477.db2.gz JPWQALZVYMZKEC-CQSZACIVSA-N -1 0 345.418 3.902 20 0 EHADRM N=c1[n-]nc(-c2ccc(OCCCc3ccc(Cl)cc3)cc2)o1 ZINC000439207386 1021230485 /nfs/dbraw/zinc/23/04/85/1021230485.db2.gz UDTUJAVEEINYHD-UHFFFAOYSA-N -1 0 329.787 3.814 20 0 EHADRM Cc1ccnc([N-]S(=O)(=O)c2c(F)cccc2Cl)c1C1CC1 ZINC000656740051 1021237698 /nfs/dbraw/zinc/23/76/98/1021237698.db2.gz XRAQDUJGXNDGSW-UHFFFAOYSA-N -1 0 340.807 3.861 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000439223380 1021254304 /nfs/dbraw/zinc/25/43/04/1021254304.db2.gz NBNNCFUJJSLEAD-UPJWGTAASA-N -1 0 339.505 3.570 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(F)c([O-])c(Cl)c2)Cc2ccccc2O1 ZINC000436816008 1021259817 /nfs/dbraw/zinc/25/98/17/1021259817.db2.gz RKHZESPNZIRLRZ-SNVBAGLBSA-N -1 0 335.762 3.608 20 0 EHADRM O=C([O-])c1cnc(N2CCC(Sc3ccc(Cl)cc3)CC2)nc1 ZINC000516297003 1021263811 /nfs/dbraw/zinc/26/38/11/1021263811.db2.gz NGXSBJBVHVCKKC-UHFFFAOYSA-N -1 0 349.843 3.589 20 0 EHADRM CCc1ccc(O)c([N-]S(=O)(=O)c2ccc3nc(C)sc3c2)c1 ZINC000427277788 1021273708 /nfs/dbraw/zinc/27/37/08/1021273708.db2.gz TZUUFWYTILCBEF-UHFFFAOYSA-N -1 0 348.449 3.674 20 0 EHADRM COc1ccc(C2(CNC(=O)c3ccc([O-])c(Cl)c3)CCC2)cc1 ZINC000436839065 1021282575 /nfs/dbraw/zinc/28/25/75/1021282575.db2.gz OCKBOYJCRWGFEE-UHFFFAOYSA-N -1 0 345.826 3.906 20 0 EHADRM Oc1cccc2c1C[C@H](N=c1[n-]nc(-c3ccccc3Cl)s1)C2 ZINC000436842516 1021287247 /nfs/dbraw/zinc/28/72/47/1021287247.db2.gz YBOAOYNWEXAGAC-LLVKDONJSA-N -1 0 343.839 3.565 20 0 EHADRM O=C(N[C@H]1CCC[C@@H]1c1ccccc1)c1nn(-c2ccccc2)cc1[O-] ZINC000439264062 1021287426 /nfs/dbraw/zinc/28/74/26/1021287426.db2.gz UQXNAANNSLDPOW-MSOLQXFVSA-N -1 0 347.418 3.644 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)c2cc(F)cc(Br)c2[O-])o1 ZINC000436850197 1021293280 /nfs/dbraw/zinc/29/32/80/1021293280.db2.gz ZMPUMNGOTYYWGV-MRVPVSSYSA-N -1 0 342.164 3.686 20 0 EHADRM Cc1cc(O)c(C(C)C)cc1C(=O)N=c1[n-]nc(C(C)(C)C)s1 ZINC000436854185 1021297003 /nfs/dbraw/zinc/29/70/03/1021297003.db2.gz FZPJATIINSCSOF-UHFFFAOYSA-N -1 0 333.457 3.647 20 0 EHADRM CC(C)(C)[C@H]1CCN(C(=O)c2c([O-])cc(Cl)cc2Cl)C[C@@H]1O ZINC000436861199 1021298720 /nfs/dbraw/zinc/29/87/20/1021298720.db2.gz JKGDGMBONBNARZ-GWCFXTLKSA-N -1 0 346.254 3.568 20 0 EHADRM CC1(C)CO[C@@H](c2cccc(Cl)c2)CN1Cc1ccoc1C(=O)[O-] ZINC000656766183 1021300530 /nfs/dbraw/zinc/30/05/30/1021300530.db2.gz RVOYBSXYVYAXSS-OAHLLOKOSA-N -1 0 349.814 3.983 20 0 EHADRM CC(C)(C)c1nc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)cs1 ZINC000656767022 1021300628 /nfs/dbraw/zinc/30/06/28/1021300628.db2.gz UITFSJXFBDANMG-SOUVJXGZSA-N -1 0 336.501 3.906 20 0 EHADRM CC(C)[C@H]1CCCN(C(=O)c2cc(F)cc(Br)c2[O-])C1 ZINC000436865350 1021306174 /nfs/dbraw/zinc/30/61/74/1021306174.db2.gz SMMVUHFBKMZLAP-JTQLQIEISA-N -1 0 344.224 3.802 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)C2(c3ccc(Cl)cc3)CC2)c1 ZINC000436867571 1021308599 /nfs/dbraw/zinc/30/85/99/1021308599.db2.gz DFDQWNXXZSAEED-UHFFFAOYSA-N -1 0 329.783 3.919 20 0 EHADRM O=C([O-])c1cc(-c2cncc(C(F)(F)F)c2)cnc1OCC1CC1 ZINC000515869911 1032969337 /nfs/dbraw/zinc/96/93/37/1032969337.db2.gz HWZJXPFWTWQKLA-UHFFFAOYSA-N -1 0 338.285 3.649 20 0 EHADRM [O-]c1ccc(Cl)cc1-c1nc(-c2cccnc2N2CCCC2)no1 ZINC000436902772 1021348967 /nfs/dbraw/zinc/34/89/67/1021348967.db2.gz RAEXCNHCDYTFSP-UHFFFAOYSA-N -1 0 342.786 3.758 20 0 EHADRM CCOC(=O)c1cnc(/C=C\c2sccc2Cl)c(C(=O)[O-])c1 ZINC000516389123 1021378983 /nfs/dbraw/zinc/37/89/83/1021378983.db2.gz WDRJHBQPCMRALC-ARJAWSKDSA-N -1 0 337.784 3.842 20 0 EHADRM C[C@H](NC(=O)c1ccc(F)cc1[O-])c1nc2ccccc2n1C(F)F ZINC000436925244 1021383641 /nfs/dbraw/zinc/38/36/41/1021383641.db2.gz ICZJLZQBCOAMND-VIFPVBQESA-N -1 0 349.312 3.767 20 0 EHADRM Cc1csc(-c2noc(-c3ccc(Br)cc3[O-])n2)n1 ZINC000436930228 1021390668 /nfs/dbraw/zinc/39/06/68/1021390668.db2.gz WCWOFIGZPOFVKT-UHFFFAOYSA-N -1 0 338.186 3.637 20 0 EHADRM C[C@H](NC(=O)c1c(O)cccc1F)c1ccc(OC(F)F)cc1 ZINC000436950057 1021391008 /nfs/dbraw/zinc/39/10/08/1021391008.db2.gz XZJBZMRZWNCJKG-VIFPVBQESA-N -1 0 325.286 3.624 20 0 EHADRM COCCN(Cc1cccs1)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436949868 1021391810 /nfs/dbraw/zinc/39/18/10/1021391810.db2.gz SQQAQGNZKKOGMD-UHFFFAOYSA-N -1 0 343.807 3.535 20 0 EHADRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1OC(F)(F)F ZINC000107548173 1032976814 /nfs/dbraw/zinc/97/68/14/1032976814.db2.gz UOARNJBPDWHRDY-UHFFFAOYSA-N -1 0 349.305 3.834 20 0 EHADRM C[C@H]1COCC[C@H]1NC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436949131 1021410090 /nfs/dbraw/zinc/41/00/90/1021410090.db2.gz LPLZGDRBTJYQSC-YVEFUNNKSA-N -1 0 345.826 3.867 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000436967978 1021414372 /nfs/dbraw/zinc/41/43/72/1021414372.db2.gz RWMHNGOEMMOSOT-CDNLZTBQSA-N -1 0 329.346 3.988 20 0 EHADRM COc1cccc([C@H]2C[C@H](C)CN2C(=O)c2c([O-])cccc2F)c1 ZINC000436975391 1021430764 /nfs/dbraw/zinc/43/07/64/1021430764.db2.gz KERKVFRGXIZIRM-BLLLJJGKSA-N -1 0 329.371 3.763 20 0 EHADRM CC1(CS(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CCCCC1 ZINC000548198044 1021459141 /nfs/dbraw/zinc/45/91/41/1021459141.db2.gz XMLAQBSZACACOM-UHFFFAOYSA-N -1 0 345.848 3.750 20 0 EHADRM CC[C@H](Sc1cncc(OCc2cccc(Cl)c2)n1)C(=O)[O-] ZINC000564456193 1021473424 /nfs/dbraw/zinc/47/34/24/1021473424.db2.gz KGQUYAZWIQQSTK-LBPRGKRZSA-N -1 0 338.816 3.664 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2cnc3ccsc3c2)c1 ZINC000439574775 1021566720 /nfs/dbraw/zinc/56/67/20/1021566720.db2.gz XBQSFCXJNORUEX-UHFFFAOYSA-N -1 0 336.463 3.819 20 0 EHADRM O=C(Nc1ccc(NC(=O)c2cc(Cl)ccc2[O-])cc1)NC1CC1 ZINC000073801454 1021606359 /nfs/dbraw/zinc/60/63/59/1021606359.db2.gz FSXIGIKWGRMNIB-UHFFFAOYSA-N -1 0 345.786 3.582 20 0 EHADRM CCCCc1nnc([N-]S(=O)(=O)c2ccc(CCC)cc2)s1 ZINC000437174503 1021612891 /nfs/dbraw/zinc/61/28/91/1021612891.db2.gz BIHRCFLDAPGILS-UHFFFAOYSA-N -1 0 339.486 3.634 20 0 EHADRM Cc1cnn(C)c1S(=O)(=O)[N-]c1ccc(C(C)C)cc1C(C)C ZINC000506674263 1021692819 /nfs/dbraw/zinc/69/28/19/1021692819.db2.gz KFNHFZYGFZFYTQ-UHFFFAOYSA-N -1 0 335.473 3.776 20 0 EHADRM CC(C)c1ccc(C[C@@H](C)NC(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC000439802917 1021725380 /nfs/dbraw/zinc/72/53/80/1021725380.db2.gz VXLMTQDLXBSAAR-OAHLLOKOSA-N -1 0 339.435 3.798 20 0 EHADRM CCCC[C@H](CCC)CNC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000440813295 1021785935 /nfs/dbraw/zinc/78/59/35/1021785935.db2.gz APGNLFPSQURCIX-INIZCTEOSA-N -1 0 343.471 3.810 20 0 EHADRM CC[C@H]1CCc2nc([N-]S(=O)(=O)c3sccc3C)sc2C1 ZINC000437414307 1021810805 /nfs/dbraw/zinc/81/08/05/1021810805.db2.gz TZFKSNGIYDNOSF-JTQLQIEISA-N -1 0 342.511 3.829 20 0 EHADRM CC(C)c1ccc(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)s1 ZINC000439917296 1021824205 /nfs/dbraw/zinc/82/42/05/1021824205.db2.gz HFEZDVADTJFASF-UHFFFAOYSA-N -1 0 329.421 3.768 20 0 EHADRM COc1ccc([C@@H](C)[C@H](C)Nc2cccc(CC(=O)[O-])c2)cc1OC ZINC000516914439 1021849798 /nfs/dbraw/zinc/84/97/98/1021849798.db2.gz NTEUAPJGMQHPKY-KBPBESRZSA-N -1 0 343.423 3.935 20 0 EHADRM Cc1cc2c[nH]nc2cc1NS(=O)(=O)c1ccc(Cl)cc1C ZINC000516917559 1021851649 /nfs/dbraw/zinc/85/16/49/1021851649.db2.gz PRJXZLWFIDINLV-UHFFFAOYSA-N -1 0 335.816 3.634 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NCc2ccnn2C2CCCC2)o1 ZINC000519318745 1022000197 /nfs/dbraw/zinc/00/01/97/1022000197.db2.gz QTMVYZYOJRZPHO-UHFFFAOYSA-N -1 0 341.390 3.530 20 0 EHADRM CCCNc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccco1 ZINC000437659623 1022035326 /nfs/dbraw/zinc/03/53/26/1022035326.db2.gz QKLKFCDYWXACRS-UHFFFAOYSA-N -1 0 348.346 3.921 20 0 EHADRM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000128654725 1033036598 /nfs/dbraw/zinc/03/65/98/1033036598.db2.gz JWVXYSCFLHKKDY-UMVBOHGHSA-N -1 0 341.411 3.575 20 0 EHADRM CO[C@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CC[C@@H]1C ZINC000187696647 1022216318 /nfs/dbraw/zinc/21/63/18/1022216318.db2.gz DCGUXLZDRSGWQL-ZBEGNZNMSA-N -1 0 333.815 3.696 20 0 EHADRM Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1cc(Cl)ccc1[O-] ZINC000437905552 1022246084 /nfs/dbraw/zinc/24/60/84/1022246084.db2.gz BAHVSYZFUGONLT-UHFFFAOYSA-N -1 0 347.802 3.700 20 0 EHADRM C[C@H](CCNC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000581922128 1022400359 /nfs/dbraw/zinc/40/03/59/1022400359.db2.gz LHWMNSAENLXENW-QAPCUYQASA-N -1 0 340.423 3.648 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2csc3ccccc32)on1 ZINC000506848673 1022482236 /nfs/dbraw/zinc/48/22/36/1022482236.db2.gz LAQPLPDUKAKKKV-UHFFFAOYSA-N -1 0 336.438 3.988 20 0 EHADRM Cc1ccccc1SCC(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000320027114 1022528669 /nfs/dbraw/zinc/52/86/69/1022528669.db2.gz JHTUJBYXPLATAS-FLIBITNWSA-N -1 0 327.405 3.824 20 0 EHADRM C[C@H](NC(=O)c1s[n-]c(=O)c1Cl)c1cccc(OC(F)F)c1 ZINC000550139462 1022575216 /nfs/dbraw/zinc/57/52/16/1022575216.db2.gz VUTAYAYRSFEGBJ-LURJTMIESA-N -1 0 348.758 3.595 20 0 EHADRM Cc1c(NCc2cnn(Cc3ccc(F)cc3)c2)cccc1C(=O)[O-] ZINC000340687567 1022633297 /nfs/dbraw/zinc/63/32/97/1022633297.db2.gz AJNCGBFQUWSVIB-UHFFFAOYSA-N -1 0 339.370 3.689 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccnn2[C@@H](C)CC(C)C)c(C)o1 ZINC000330676032 1022652143 /nfs/dbraw/zinc/65/21/43/1022652143.db2.gz IENLENFBMPZGDN-NSHDSACASA-N -1 0 325.434 3.501 20 0 EHADRM C[C@@H](NC(=O)CCc1ccc([C@H]2C[C@H]2C)o1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655581650 1022663274 /nfs/dbraw/zinc/66/32/74/1022663274.db2.gz AOBIAYJAKSNRIB-DMVVEVTLSA-N -1 0 347.455 3.587 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C)sc1Cl ZINC000473758117 1022691108 /nfs/dbraw/zinc/69/11/08/1022691108.db2.gz LYHWOQBQYBEHDR-UHFFFAOYSA-N -1 0 344.889 3.885 20 0 EHADRM CC(C)[C@H]([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)c1ccc(Cl)cc1 ZINC000546094567 1022706500 /nfs/dbraw/zinc/70/65/00/1022706500.db2.gz DDFUPPWPTKBEFM-CABZTGNLSA-N -1 0 343.798 3.907 20 0 EHADRM CS[C@H](C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC000593921708 1033079219 /nfs/dbraw/zinc/07/92/19/1033079219.db2.gz HVMNXJCKONMSQO-ULQDDVLXSA-N -1 0 341.432 3.520 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000510621628 1022773621 /nfs/dbraw/zinc/77/36/21/1022773621.db2.gz IVZVEBLDSFLEPX-UHFFFAOYSA-N -1 0 329.812 3.841 20 0 EHADRM Cc1n[n-]c(=NC(=O)NCc2ccc(-c3ccccc3)c(C)c2)s1 ZINC000426100270 1022893332 /nfs/dbraw/zinc/89/33/32/1022893332.db2.gz NELHIOCTWFYNEZ-UHFFFAOYSA-N -1 0 338.436 3.566 20 0 EHADRM COc1ccc(O)c(C(=O)Nc2ccc(Br)c(C)c2)c1 ZINC000050279566 1022909874 /nfs/dbraw/zinc/90/98/74/1022909874.db2.gz OSGKYDRDORLVRX-UHFFFAOYSA-N -1 0 336.185 3.724 20 0 EHADRM CCOc1ccccc1[N-]S(=O)(=O)c1cc(OC)ccc1Cl ZINC000112266100 1022914103 /nfs/dbraw/zinc/91/41/03/1022914103.db2.gz CXCSGYLISXAOMB-UHFFFAOYSA-N -1 0 341.816 3.548 20 0 EHADRM CCOc1cc(-c2noc([C@@H]3CC[C@H](OC)C3)n2)cc(Cl)c1O ZINC000664846589 1022918773 /nfs/dbraw/zinc/91/87/73/1022918773.db2.gz RGNCRARTTLZYGM-KOLCDFICSA-N -1 0 338.791 3.777 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)Nc2ccc(C)cc2)s[n-]1 ZINC000473836871 1022918964 /nfs/dbraw/zinc/91/89/64/1022918964.db2.gz NVWOSOMDQXOXCZ-UHFFFAOYSA-N -1 0 330.438 3.949 20 0 EHADRM COc1ccnc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)c1 ZINC000506862386 1022967094 /nfs/dbraw/zinc/96/70/94/1022967094.db2.gz PVBXQJLMRBVOFE-UHFFFAOYSA-N -1 0 340.404 3.558 20 0 EHADRM Cc1nc(CNCc2cc3c(cc(C)cc3C)[nH]2)sc1C(=O)[O-] ZINC000426714545 1022982192 /nfs/dbraw/zinc/98/21/92/1022982192.db2.gz MYLJCTTWIYPGFU-UHFFFAOYSA-N -1 0 329.425 3.538 20 0 EHADRM CN(Cc1ccc(Cl)cc1)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000113142358 1022990239 /nfs/dbraw/zinc/99/02/39/1022990239.db2.gz KSTNHLDWQHVCPS-UHFFFAOYSA-N -1 0 341.798 3.504 20 0 EHADRM Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)c(O)c1 ZINC000518084321 1022990621 /nfs/dbraw/zinc/99/06/21/1022990621.db2.gz DZRLMDOWJJCMAZ-LSDHHAIUSA-N -1 0 346.224 3.749 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2)cc1 ZINC000438776303 1022992485 /nfs/dbraw/zinc/99/24/85/1022992485.db2.gz ZIWAPCAIJSDDEA-AWEZNQCLSA-N -1 0 335.473 3.853 20 0 EHADRM C[C@@]1(Br)C[C@H]1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000528937509 1033098912 /nfs/dbraw/zinc/09/89/12/1033098912.db2.gz HOPUBWPNEBJZIK-UPONEAKYSA-N -1 0 339.016 3.811 20 0 EHADRM CCN(C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)[C@@H]1CCCC[C@@H]1C ZINC000073306183 1022998343 /nfs/dbraw/zinc/99/83/43/1022998343.db2.gz RHMKPZUWEMEIOC-MAUKXSAKSA-N -1 0 341.455 3.515 20 0 EHADRM O=C([O-])c1ccc2nc(/C=C/c3ccc(-n4cccn4)cc3)oc2c1 ZINC000550007537 1023004486 /nfs/dbraw/zinc/00/44/86/1023004486.db2.gz RIWUDRFRPXWJJS-RUDMXATFSA-N -1 0 331.331 3.882 20 0 EHADRM CC(C)[C@H]1N(C(=O)c2nn(-c3ccccc3)cc2[O-])CC12CCCC2 ZINC000562965164 1023016036 /nfs/dbraw/zinc/01/60/36/1023016036.db2.gz ZGZJVSGRRHXGGT-GOSISDBHSA-N -1 0 339.439 3.619 20 0 EHADRM Cc1nc(C)c(CN[C@H](C(=O)[O-])c2c(Cl)cccc2Cl)s1 ZINC000426759913 1023029566 /nfs/dbraw/zinc/02/95/66/1023029566.db2.gz YIFOHFUNRICGFG-ZDUSSCGKSA-N -1 0 345.251 3.982 20 0 EHADRM CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)c1ccc([O-])c(Cl)c1 ZINC000189476153 1023037714 /nfs/dbraw/zinc/03/77/14/1023037714.db2.gz VUCCZNBCPGHHSA-LJQANCHMSA-N -1 0 347.842 3.849 20 0 EHADRM O=C([O-])[C@@H](NCc1csc(-c2ccccc2)n1)c1cccc(F)c1 ZINC000426812115 1023061927 /nfs/dbraw/zinc/06/19/27/1023061927.db2.gz PPAQBHBZHNEILC-INIZCTEOSA-N -1 0 342.395 3.865 20 0 EHADRM COc1ccc([C@@H](NCc2cc3cc(F)ccc3o2)C(=O)[O-])cc1F ZINC000426817911 1023065067 /nfs/dbraw/zinc/06/50/67/1023065067.db2.gz CXHGLQDXLPQCPX-QGZVFWFLSA-N -1 0 347.317 3.635 20 0 EHADRM COc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000506993814 1023066862 /nfs/dbraw/zinc/06/68/62/1023066862.db2.gz AWBGKZMLWBTLEO-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM COc1ccccc1[C@@H](NCc1csc2ccccc12)C(=O)[O-] ZINC000426823142 1023067010 /nfs/dbraw/zinc/06/70/10/1023067010.db2.gz HTPCJWXAWUNINV-QGZVFWFLSA-N -1 0 327.405 3.825 20 0 EHADRM Cc1oncc1[N-]S(=O)(=O)c1ccc(Oc2cccc(C)c2)cc1 ZINC000507023745 1023090442 /nfs/dbraw/zinc/09/04/42/1023090442.db2.gz ZGAWKXBHLDNYFN-UHFFFAOYSA-N -1 0 344.392 3.885 20 0 EHADRM CCc1noc(=NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[n-]1 ZINC000431023816 1023139093 /nfs/dbraw/zinc/13/90/93/1023139093.db2.gz NGOMGLLUXSVGFW-UHFFFAOYSA-N -1 0 339.239 3.704 20 0 EHADRM C[C@H](C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-])c1cc2ccccc2o1 ZINC000346018809 1023150692 /nfs/dbraw/zinc/15/06/92/1023150692.db2.gz BTRMGMCHUBPLKR-DJJJIMSYSA-N -1 0 349.386 3.747 20 0 EHADRM CCCCCc1n[n-]c(=NCc2ccccc2-c2ccnn2C)s1 ZINC000431035813 1023155658 /nfs/dbraw/zinc/15/56/58/1023155658.db2.gz UIBNFXKBPORWQJ-UHFFFAOYSA-N -1 0 341.484 3.705 20 0 EHADRM O=C([O-])c1cc(/C=C/c2ccc(-n3cnc4ccccc43)cc2)ncn1 ZINC000536387910 1023163209 /nfs/dbraw/zinc/16/32/09/1023163209.db2.gz TUHLCSHMDCNBGI-VMPITWQZSA-N -1 0 342.358 3.684 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cccn1C1CCCC1)c1ccccc1 ZINC000190472134 1023203288 /nfs/dbraw/zinc/20/32/88/1023203288.db2.gz KPSVMGXLMCQJTM-MRXNPFEDSA-N -1 0 326.396 3.549 20 0 EHADRM O=C(NCc1cc2ccccc2s1)c1nn(-c2ccccc2)cc1[O-] ZINC000439074457 1023248642 /nfs/dbraw/zinc/24/86/42/1023248642.db2.gz DLGXSDVULYRDEI-UHFFFAOYSA-N -1 0 349.415 3.723 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC[C@@H]1C(=O)[O-])c1ccc(-c2ccc(F)cc2)cc1 ZINC000507320372 1023249090 /nfs/dbraw/zinc/24/90/90/1023249090.db2.gz SUJHTNWWVHZVGZ-IGNZVWTISA-N -1 0 341.382 3.781 20 0 EHADRM CCCOc1ccc(CNC(=O)CC2(C(=O)[O-])CCCCC2)cc1 ZINC000614570376 1023279006 /nfs/dbraw/zinc/27/90/06/1023279006.db2.gz BCGTVHUCDAROEZ-UHFFFAOYSA-N -1 0 333.428 3.517 20 0 EHADRM O=C(N=c1[n-]ncs1)c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000548450205 1023312566 /nfs/dbraw/zinc/31/25/66/1023312566.db2.gz CJQFODSWMHOWPI-UHFFFAOYSA-N -1 0 337.813 3.610 20 0 EHADRM Cc1ccc(-c2cccnc2)cc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000684559487 1023334100 /nfs/dbraw/zinc/33/41/00/1023334100.db2.gz XKBVCVAAWDOFKE-IRXDYDNUSA-N -1 0 336.391 3.663 20 0 EHADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccccc1-c1cccs1 ZINC000341798737 1023334823 /nfs/dbraw/zinc/33/48/23/1023334823.db2.gz CNERFNUOXAZIGY-UHFFFAOYSA-N -1 0 347.465 3.566 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2sc(C)cc2C)cc1Cl ZINC000431158766 1023356650 /nfs/dbraw/zinc/35/66/50/1023356650.db2.gz DGYJJVUYNUKOGB-UHFFFAOYSA-N -1 0 331.846 3.828 20 0 EHADRM CC(C)(C)[C@H]1CCCN(C(=O)N=c2ccc(C(F)(F)F)n[n-]2)CC1 ZINC000471954754 1023415503 /nfs/dbraw/zinc/41/55/03/1023415503.db2.gz PUCDVSPPQPGMPA-NSHDSACASA-N -1 0 344.381 3.597 20 0 EHADRM CC[C@@](C)([N-]S(=O)(=O)c1cc(C)c(F)cc1Cl)C(F)(F)F ZINC000548473980 1023423877 /nfs/dbraw/zinc/42/38/77/1023423877.db2.gz CJTSCMWBMQANAF-LLVKDONJSA-N -1 0 347.761 3.797 20 0 EHADRM CCc1ccc(-c2noc(C(=O)[N-]c3c(F)cccc3F)n2)cc1 ZINC001212174499 1033138214 /nfs/dbraw/zinc/13/82/14/1033138214.db2.gz ZHXHCGWSKSSKBA-UHFFFAOYSA-N -1 0 329.306 3.830 20 0 EHADRM COc1ccc2cc(CN[C@@H](C(=O)[O-])c3ccsc3)ccc2c1 ZINC000426785308 1023552019 /nfs/dbraw/zinc/55/20/19/1023552019.db2.gz WSWKYCSLHFZEFI-QGZVFWFLSA-N -1 0 327.405 3.825 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2scnc2C2CC2)cc(C)c1F ZINC000535687441 1023565058 /nfs/dbraw/zinc/56/50/58/1023565058.db2.gz YIAGCMQKNWMQLT-UHFFFAOYSA-N -1 0 326.418 3.577 20 0 EHADRM Cc1ccc(C)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1C(=O)[O-] ZINC000326032717 1033155039 /nfs/dbraw/zinc/15/50/39/1033155039.db2.gz WOLCPPIFVUBPPQ-UHFFFAOYSA-N -1 0 327.424 3.700 20 0 EHADRM O=C(Nc1ccc2c(c1)CCCC(=O)N2)c1ccc(Cl)cc1[O-] ZINC000171254677 1033158767 /nfs/dbraw/zinc/15/87/67/1033158767.db2.gz MQSSXHHOQOKBQZ-UHFFFAOYSA-N -1 0 330.771 3.573 20 0 EHADRM O=C(CSc1n[n-]c(=S)s1)Nc1ccc2scnc2c1 ZINC000176181220 1023821011 /nfs/dbraw/zinc/82/10/11/1023821011.db2.gz KCPRKHVCSMXYDM-UHFFFAOYSA-N -1 0 340.480 3.541 20 0 EHADRM CCC[C@@H](NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)C1CCCC1 ZINC000458335461 1023949216 /nfs/dbraw/zinc/94/92/16/1023949216.db2.gz JKPMFEOLQPUHRE-QGZVFWFLSA-N -1 0 341.455 3.563 20 0 EHADRM COC(=O)c1ccc(/C=C/c2nc3ccc(C(=O)[O-])cc3s2)o1 ZINC000431559597 1033176103 /nfs/dbraw/zinc/17/61/03/1033176103.db2.gz WLUSXJGEEDNIBH-QPJJXVBHSA-N -1 0 329.333 3.545 20 0 EHADRM CC(C)(C)O[C@H](C(=O)N=c1nc(C(C)(C)C)[n-]s1)c1ccccc1 ZINC000513953988 1023999891 /nfs/dbraw/zinc/99/98/91/1023999891.db2.gz WKZJBSCKXADFDJ-ZDUSSCGKSA-N -1 0 347.484 3.752 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1cccc2ccsc21 ZINC000443470244 1024012008 /nfs/dbraw/zinc/01/20/08/1024012008.db2.gz UFFCZDOHMUXKKN-UHFFFAOYSA-N -1 0 325.436 3.772 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)c2ccc(C(C)C)cc2)sc1C(=O)[O-] ZINC000236624854 1024035386 /nfs/dbraw/zinc/03/53/86/1024035386.db2.gz OQVNBCCKUNKJOV-LLVKDONJSA-N -1 0 332.425 3.764 20 0 EHADRM Cc1ccc(SC2CCCC2)c(C(=O)NC[C@@H](C)CC(=O)[O-])c1 ZINC000191225396 1024049499 /nfs/dbraw/zinc/04/94/99/1024049499.db2.gz IFXMFVISNAIQJK-ZDUSSCGKSA-N -1 0 335.469 3.870 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000191205241 1024058633 /nfs/dbraw/zinc/05/86/33/1024058633.db2.gz OFOIBKJJVYDUDM-FUHWJXTLSA-N -1 0 331.456 3.749 20 0 EHADRM O=C([O-])C1(CC(=O)NCc2ccc(Cl)s2)CCCCCC1 ZINC000028901035 1024091132 /nfs/dbraw/zinc/09/11/32/1024091132.db2.gz KXKDIACRNYWHKS-UHFFFAOYSA-N -1 0 329.849 3.833 20 0 EHADRM O=C([O-])C/C(=C\c1ccn(C(F)F)n1)c1nc2ccccc2s1 ZINC000346065812 1024094480 /nfs/dbraw/zinc/09/44/80/1024094480.db2.gz JQRDBAZRWVBQRH-VQHVLOKHSA-N -1 0 335.335 3.903 20 0 EHADRM COC[C@@H](C)Oc1cccc(-c2ccccc2[C@@H](OC)C(=O)[O-])c1 ZINC000657205355 1024112327 /nfs/dbraw/zinc/11/23/27/1024112327.db2.gz RRFXJCUJJPWTCP-FZKQIMNGSA-N -1 0 330.380 3.539 20 0 EHADRM Cc1cc(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])c(Cl)cc1F ZINC000346030851 1024113353 /nfs/dbraw/zinc/11/33/53/1024113353.db2.gz UBWPTURMJGBBKE-INIZCTEOSA-N -1 0 347.773 3.612 20 0 EHADRM COc1ccc(-c2ccc(OC)c(C(=O)CCC(=O)[O-])c2)c(C)c1 ZINC000657206275 1024128078 /nfs/dbraw/zinc/12/80/78/1024128078.db2.gz HHKNSSQYTCSDHW-UHFFFAOYSA-N -1 0 328.364 3.727 20 0 EHADRM COCCCOc1ccc(-c2cccc(C3(C(=O)[O-])CC3)c2)cc1 ZINC000657207287 1024130302 /nfs/dbraw/zinc/13/03/02/1024130302.db2.gz MJFNXZQGRCMAMZ-UHFFFAOYSA-N -1 0 326.392 3.885 20 0 EHADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)c1sc2cc(F)ccc2c1Cl ZINC000785092862 1024134883 /nfs/dbraw/zinc/13/48/83/1024134883.db2.gz DMYGAFHGBWMUTR-ZETCQYMHSA-N -1 0 349.836 3.552 20 0 EHADRM CC[C@H](Cc1ccc(NCc2ccc(OC)c(OC)c2)cc1)C(=O)[O-] ZINC000417616798 1024164280 /nfs/dbraw/zinc/16/42/80/1024164280.db2.gz ZJYNCFZWIODGEF-MRXNPFEDSA-N -1 0 343.423 3.969 20 0 EHADRM CCn1nc(CNc2ccc(C[C@H](C)C(=O)[O-])cc2)c2ccccc21 ZINC000417609849 1024165500 /nfs/dbraw/zinc/16/55/00/1024165500.db2.gz LVUVLNVJZLLLES-AWEZNQCLSA-N -1 0 337.423 3.932 20 0 EHADRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc2ccoc2c1 ZINC000434631822 1024208370 /nfs/dbraw/zinc/20/83/70/1024208370.db2.gz SMWHNGQQBMXWII-UHFFFAOYSA-N -1 0 331.393 3.859 20 0 EHADRM C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cc(F)ccc1O ZINC000094130396 1024215777 /nfs/dbraw/zinc/21/57/77/1024215777.db2.gz YCOHQZXTBBSWPQ-PIGZYNQJSA-N -1 0 349.789 3.787 20 0 EHADRM CNC(=O)c1ccc(/C=C\c2nc3ccc(C(=O)[O-])cc3s2)cc1 ZINC000431562102 1033196595 /nfs/dbraw/zinc/19/65/95/1033196595.db2.gz AYCBWMUMNALAIE-WTKPLQERSA-N -1 0 338.388 3.525 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)N2CCCCC[C@H]2C)s[n-]1 ZINC000329934938 1024255088 /nfs/dbraw/zinc/25/50/88/1024255088.db2.gz QTCHIXDODQPWGW-LLVKDONJSA-N -1 0 336.486 3.793 20 0 EHADRM CCn1c(C)cc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)c1C ZINC000237207173 1024284728 /nfs/dbraw/zinc/28/47/28/1024284728.db2.gz AZBAAUPERKWCRS-UHFFFAOYSA-N -1 0 344.411 3.863 20 0 EHADRM [O-]c1cc(Br)cnc1CN1CCC(c2ccco2)CC1 ZINC000895320720 1024285790 /nfs/dbraw/zinc/28/57/90/1024285790.db2.gz PAOPQLQORCBJCD-UHFFFAOYSA-N -1 0 337.217 3.522 20 0 EHADRM Cc1cccc(C)c1CC(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000192896846 1024288582 /nfs/dbraw/zinc/28/85/82/1024288582.db2.gz CWSWYGSHNJIVSF-UHFFFAOYSA-N -1 0 341.407 3.728 20 0 EHADRM Cc1cc(C(=O)[O-])cc(-n2ncc(-c3cccc(Cl)c3)c2N)c1 ZINC001211535065 1024309188 /nfs/dbraw/zinc/30/91/88/1024309188.db2.gz MBRKDSWNSITBJQ-UHFFFAOYSA-N -1 0 327.771 3.782 20 0 EHADRM COc1ccc(F)c(NC(=O)c2ccc(Br)cc2[O-])c1 ZINC000094855797 1024379640 /nfs/dbraw/zinc/37/96/40/1024379640.db2.gz UASOLAMCOWTSBD-UHFFFAOYSA-N -1 0 340.148 3.555 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)NC[C@H](C)CC(=O)[O-])c(F)c2)cc1 ZINC000262124050 1024390226 /nfs/dbraw/zinc/39/02/26/1024390226.db2.gz HAXVYIJBCFDVLO-CYBMUJFWSA-N -1 0 329.371 3.642 20 0 EHADRM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2cccc(F)n2)c1Cl ZINC000228838872 1033208866 /nfs/dbraw/zinc/20/88/66/1033208866.db2.gz XGVDDWNUMYPWDT-UHFFFAOYSA-N -1 0 349.214 3.945 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)c3cc(C(=O)[O-])co3)c2)cs1 ZINC000191557862 1024409266 /nfs/dbraw/zinc/40/92/66/1024409266.db2.gz MEFQPGDRXFTDFJ-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM CC[C@@H](C)CN(C)C(=O)c1cccc(C(=O)N(C)C[C@H](C)CC)c1[O-] ZINC000280923638 1024438413 /nfs/dbraw/zinc/43/84/13/1024438413.db2.gz JTGWIGLRWNMVSH-HUUCEWRRSA-N -1 0 348.487 3.628 20 0 EHADRM CCN(CC(C)C)C(=O)c1cccc(C(=O)N(CC)CC(C)C)c1[O-] ZINC000280961231 1024492683 /nfs/dbraw/zinc/49/26/83/1024492683.db2.gz NIBRSFOWTFFXIE-UHFFFAOYSA-N -1 0 348.487 3.628 20 0 EHADRM C[C@H](NC(=O)CC1(C(=O)[O-])CCCCCC1)c1ccc(F)cc1F ZINC000391775565 1024498332 /nfs/dbraw/zinc/49/83/32/1024498332.db2.gz BNMMCWGGBWNQTG-LBPRGKRZSA-N -1 0 339.382 3.957 20 0 EHADRM CC(C)(CC(F)F)C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000413426972 1024507772 /nfs/dbraw/zinc/50/77/72/1024507772.db2.gz XYNJRFPXVBKWID-UHFFFAOYSA-N -1 0 345.802 3.900 20 0 EHADRM CCC[C@@H](C)N(C)C(=O)N=c1[n-]nc(C(C)(C)c2ccccc2)s1 ZINC000520742712 1024591705 /nfs/dbraw/zinc/59/17/05/1024591705.db2.gz CKOJZMDSOAZDMX-CYBMUJFWSA-N -1 0 346.500 3.938 20 0 EHADRM CCCCn1ncc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1C ZINC000909523033 1024605786 /nfs/dbraw/zinc/60/57/86/1024605786.db2.gz LAMFINMIZDUHSF-ZDUSSCGKSA-N -1 0 343.427 3.507 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000327270513 1024615695 /nfs/dbraw/zinc/61/56/95/1024615695.db2.gz XNFGLEQOMDGKDT-WFEDQXDTSA-N -1 0 341.451 3.804 20 0 EHADRM Cc1cc(NC(=O)[C@H]2Cc3ccccc3S2)cc(C(=O)[O-])c1C ZINC000320837180 1024671315 /nfs/dbraw/zinc/67/13/15/1024671315.db2.gz FQEOBEONKAYAQF-MRXNPFEDSA-N -1 0 327.405 3.657 20 0 EHADRM CC(C)c1ccc(CN(C(=O)c2cccc(C(=O)[O-])n2)C2CC2)cc1 ZINC000262578155 1033231650 /nfs/dbraw/zinc/23/16/50/1033231650.db2.gz DWSXOTGUFRXBID-UHFFFAOYSA-N -1 0 338.407 3.708 20 0 EHADRM CC(C)c1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)s1 ZINC000427691908 1024737765 /nfs/dbraw/zinc/73/77/65/1024737765.db2.gz ZMRHYQGKDSAZCX-LSDHHAIUSA-N -1 0 343.448 3.812 20 0 EHADRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)Nc3ccc(F)cc3F)n2)c1 ZINC000507979980 1024803690 /nfs/dbraw/zinc/80/36/90/1024803690.db2.gz PRVFUJUQBIDZLS-UHFFFAOYSA-N -1 0 347.296 3.556 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1cccc(SC(F)F)c1)C(=O)[O-] ZINC000780534060 1024805072 /nfs/dbraw/zinc/80/50/72/1024805072.db2.gz ATWPJENQDGYAHQ-KWQFWETISA-N -1 0 332.372 3.622 20 0 EHADRM C[C@H]1CCCC[C@H]1NC(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000684711123 1024861479 /nfs/dbraw/zinc/86/14/79/1024861479.db2.gz PVVJQJKNKQKLMD-ORQFMDKSSA-N -1 0 330.428 3.565 20 0 EHADRM C[C@H](NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1ccc(F)c(F)c1 ZINC000684714000 1024892098 /nfs/dbraw/zinc/89/20/98/1024892098.db2.gz SQQWQAFWEQUDFS-IINYFYTJSA-N -1 0 342.386 3.605 20 0 EHADRM C[C@H](C(=O)[O-])N(C)C(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 ZINC000427964729 1024912895 /nfs/dbraw/zinc/91/28/95/1024912895.db2.gz JYPRANVJTIFEMF-GFCCVEGCSA-N -1 0 329.396 3.789 20 0 EHADRM Cn1cc(CCC(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)cn1 ZINC000156566460 1033247573 /nfs/dbraw/zinc/24/75/73/1033247573.db2.gz GQRROWININEABB-UHFFFAOYSA-N -1 0 348.617 3.657 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)N=c2cc(-c3cccs3)[nH][nH]2)cc1 ZINC000428027787 1024946396 /nfs/dbraw/zinc/94/63/96/1024946396.db2.gz OQTYEXGKTYEMRL-LBPRGKRZSA-N -1 0 341.436 3.701 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1cccc([C@@H]2CCOC2)c1 ZINC000474439605 1024973931 /nfs/dbraw/zinc/97/39/31/1024973931.db2.gz UYHKZPRHCNSURA-GFCCVEGCSA-N -1 0 335.762 3.941 20 0 EHADRM CC(F)(F)c1ccc(CNC(=O)CC2(C(=O)[O-])CCCCC2)cc1 ZINC000515044318 1024983144 /nfs/dbraw/zinc/98/31/44/1024983144.db2.gz KYGNPYUBDMPPIS-UHFFFAOYSA-N -1 0 339.382 3.840 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CN1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000515074988 1025012905 /nfs/dbraw/zinc/01/29/05/1025012905.db2.gz SUUZCHJUHAUWBG-INIZCTEOSA-N -1 0 335.787 3.513 20 0 EHADRM O=C(Nc1ccc2ncccc2c1)c1nn(-c2ccccc2F)cc1[O-] ZINC000344824233 1025058746 /nfs/dbraw/zinc/05/87/46/1025058746.db2.gz YGDHFZIIHOVYPK-UHFFFAOYSA-N -1 0 348.337 3.518 20 0 EHADRM CCOC(=O)c1ccc(NC(=O)CC2(C(=O)[O-])CCCCCC2)cc1 ZINC000013251137 1025087150 /nfs/dbraw/zinc/08/71/50/1025087150.db2.gz LELYYXWHRWBJGX-UHFFFAOYSA-N -1 0 347.411 3.617 20 0 EHADRM C[C@H](NC(=O)N(CC(=O)[O-])C1CCCCC1)[C@@H](C)c1ccccc1 ZINC000684734103 1025094018 /nfs/dbraw/zinc/09/40/18/1025094018.db2.gz FBMVLUIULWEGQH-CABCVRRESA-N -1 0 332.444 3.608 20 0 EHADRM COc1cc(C)c([N-]S(=O)(=O)c2cc(C)c(F)cc2F)cc1C ZINC000435726634 1025096038 /nfs/dbraw/zinc/09/60/38/1025096038.db2.gz ACBHBKJDNXUKCY-UHFFFAOYSA-N -1 0 341.379 3.699 20 0 EHADRM Cc1sc2c(cccc2C)c1S(=O)(=O)[N-]c1cc(C)c(C)nn1 ZINC000515231693 1025098481 /nfs/dbraw/zinc/09/84/81/1025098481.db2.gz CBZFYOUUYAYWKV-UHFFFAOYSA-N -1 0 347.465 3.726 20 0 EHADRM Cc1csc(-c2cccc(NC(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)c2)n1 ZINC000435717216 1025103559 /nfs/dbraw/zinc/10/35/59/1025103559.db2.gz ZXRUCKRAJFFWPC-JOCQHMNTSA-N -1 0 344.436 3.948 20 0 EHADRM CCOC(=O)c1cnn(C(C)(C)C)c1Nc1cc(C)cc(C(=O)[O-])c1 ZINC001211539193 1025165227 /nfs/dbraw/zinc/16/52/27/1025165227.db2.gz KQJFZPMRQBCKMK-UHFFFAOYSA-N -1 0 345.399 3.565 20 0 EHADRM CCCN(CC)c1ccc(C(=O)N=c2[n-]nc(C(C)C)s2)cc1 ZINC000521051107 1025182412 /nfs/dbraw/zinc/18/24/12/1025182412.db2.gz YNYABCPWCVUIKG-UHFFFAOYSA-N -1 0 332.473 3.572 20 0 EHADRM Cc1nc2ccc(NC(=O)N(CC(=O)[O-])C3CCCCC3)cc2s1 ZINC000684742491 1025186540 /nfs/dbraw/zinc/18/65/40/1025186540.db2.gz STXXQVGGDREPDT-UHFFFAOYSA-N -1 0 347.440 3.856 20 0 EHADRM Cc1cc(=NC(=O)N(C)[C@H](C)[C@H](C)c2ccc(Cl)cc2)[n-]nc1C ZINC000467472345 1025214274 /nfs/dbraw/zinc/21/42/74/1025214274.db2.gz GSZVXYQNWKXMMV-GXTWGEPZSA-N -1 0 346.862 3.825 20 0 EHADRM CO[C@H](C)c1nc(=NC(=O)c2ccc(C3CCCCC3)cc2)s[n-]1 ZINC000511070726 1025214937 /nfs/dbraw/zinc/21/49/37/1025214937.db2.gz VWWOHQWDJSMBGS-GFCCVEGCSA-N -1 0 345.468 3.967 20 0 EHADRM CC(C)c1noc(=NCc2ccnc(OC3CCC(C)CC3)c2)[n-]1 ZINC000346866906 1025239140 /nfs/dbraw/zinc/23/91/40/1025239140.db2.gz SMNVMKCSQRFUPL-UHFFFAOYSA-N -1 0 330.432 3.580 20 0 EHADRM CSc1ccc(NC(=O)N([C@H](C)C(=O)[O-])C2CCC2)cc1Cl ZINC000684747561 1025239742 /nfs/dbraw/zinc/23/97/42/1025239742.db2.gz BVQPYGVUSHMLDJ-SECBINFHSA-N -1 0 342.848 3.921 20 0 EHADRM CCC[C@@H]1CCC[C@@H]1C(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC000515501208 1025291238 /nfs/dbraw/zinc/29/12/38/1025291238.db2.gz XVZGJHYOBKDLMZ-YPMHNXCESA-N -1 0 335.400 3.557 20 0 EHADRM O=c1nc(-c2ccc(F)c(F)c2)[n-]c2c(-c3ccccc3)nsc21 ZINC000548684205 1025337456 /nfs/dbraw/zinc/33/74/56/1025337456.db2.gz XCZDATPBDKVLLK-UHFFFAOYSA-N -1 0 341.342 3.992 20 0 EHADRM CC[C@H](NC(=O)N1CC[C@H](C)C[C@@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000515547899 1025339435 /nfs/dbraw/zinc/33/94/35/1025339435.db2.gz VARQBRUCFNEECB-TUKIKUTGSA-N -1 0 338.835 3.686 20 0 EHADRM Cc1noc(C)c1[C@H](C)CNC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000521365616 1025348473 /nfs/dbraw/zinc/34/84/73/1025348473.db2.gz BCKHOZIORSIVRI-MRVPVSSYSA-N -1 0 342.317 3.549 20 0 EHADRM CC[C@H](O)CSc1n[n-]c(=Nc2cccc(Cl)c2C)s1 ZINC000442544629 1025355724 /nfs/dbraw/zinc/35/57/24/1025355724.db2.gz PNDVCNFSXYEXNV-VIFPVBQESA-N -1 0 329.878 3.528 20 0 EHADRM CO[C@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2O)[C@@H](C)C1 ZINC000281694231 1025381911 /nfs/dbraw/zinc/38/19/11/1025381911.db2.gz GJBQGCSABUCCDE-HOCLYGCPSA-N -1 0 341.407 3.824 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C(C)C)s2)c1 ZINC000521529884 1025443842 /nfs/dbraw/zinc/44/38/42/1025443842.db2.gz SGALAWLBTZYNDO-AWEZNQCLSA-N -1 0 347.436 3.826 20 0 EHADRM Cc1ccc2cc(S(=O)(=O)[N-]c3cn(C)nc3C(C)C)ccc2c1 ZINC000451046420 1025464454 /nfs/dbraw/zinc/46/44/54/1025464454.db2.gz PHOBANJYIRTEHN-UHFFFAOYSA-N -1 0 343.452 3.806 20 0 EHADRM CC1CCC(N(C)C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])CC1 ZINC000436217579 1025486395 /nfs/dbraw/zinc/48/63/95/1025486395.db2.gz CVDAQEZDRVRDPW-UHFFFAOYSA-N -1 0 347.846 3.882 20 0 EHADRM O=S(=O)([N-]c1ccc2ccoc2c1)c1ccc(Br)o1 ZINC000442824141 1025499643 /nfs/dbraw/zinc/49/96/43/1025499643.db2.gz FLZQZMKGSIJGCG-UHFFFAOYSA-N -1 0 342.170 3.589 20 0 EHADRM Cc1cncc(CSc2n[n-]c(=NCc3ccccc3)s2)c1 ZINC000442913411 1025578391 /nfs/dbraw/zinc/57/83/91/1025578391.db2.gz IEDXCLCVLUTZOX-UHFFFAOYSA-N -1 0 328.466 3.568 20 0 EHADRM CCOc1cccc([C@@H](C)NC(=O)N=c2[n-]nc(C(C)(C)C)s2)c1 ZINC000521711267 1025601783 /nfs/dbraw/zinc/60/17/83/1025601783.db2.gz QHYIYGPBRFDIKJ-LLVKDONJSA-N -1 0 348.472 3.539 20 0 EHADRM C[C@H](NC(=O)NC[C@H](C(=O)[O-])C1CCC1)c1cccc2ccccc21 ZINC000665300957 1025609060 /nfs/dbraw/zinc/60/90/60/1025609060.db2.gz LBXSFFUPGYLZPA-UGSOOPFHSA-N -1 0 340.423 3.701 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)nc1 ZINC000521703213 1025610909 /nfs/dbraw/zinc/61/09/09/1025610909.db2.gz GVHKCYJLEKQZEZ-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM O=S(=O)([N-][C@@H]1CCC[C@@H]1F)c1c(Cl)cccc1C(F)(F)F ZINC000515806218 1025614871 /nfs/dbraw/zinc/61/48/71/1025614871.db2.gz SLIPYYNSQGOHSK-VHSXEESVSA-N -1 0 345.745 3.528 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(NC[C@H](C)C(F)(F)F)c12 ZINC000582243909 1025660593 /nfs/dbraw/zinc/66/05/93/1025660593.db2.gz COAAEPZDLVEJRF-YFKPBYRVSA-N -1 0 333.335 3.617 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)Nc1cc(F)cc(Cl)c1 ZINC000392357151 1025720427 /nfs/dbraw/zinc/72/04/27/1025720427.db2.gz UIYPDRMLKMWQLX-HNNXBMFYSA-N -1 0 348.761 3.695 20 0 EHADRM O=C([O-])c1cc(C(=O)N2CCCCC[C@@H]2/C=C/c2cccs2)no1 ZINC000909559819 1025722219 /nfs/dbraw/zinc/72/22/19/1025722219.db2.gz LGJAACZUHIOMSU-ABZNLYFFSA-N -1 0 346.408 3.533 20 0 EHADRM CCCC[C@@H](NC(=O)c1ccc(Sc2ccccn2)cc1)C(=O)[O-] ZINC000347259158 1025753334 /nfs/dbraw/zinc/75/33/34/1025753334.db2.gz KOEXBCFJQMIQOQ-OAHLLOKOSA-N -1 0 344.436 3.606 20 0 EHADRM CCCC[C@@H](NC(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000347263068 1025763563 /nfs/dbraw/zinc/76/35/63/1025763563.db2.gz PQKVUQWJDGBDBI-UONOGXRCSA-N -1 0 345.361 3.959 20 0 EHADRM Cc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])c(F)c1 ZINC000436475496 1025770163 /nfs/dbraw/zinc/77/01/63/1025770163.db2.gz BPCBZELXYNTMJB-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cnc3ccc(F)cc3c2)c(C)c1 ZINC000436477217 1025772740 /nfs/dbraw/zinc/77/27/40/1025772740.db2.gz HWLRFEQBDRWIAK-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM CCCC[C@@H](NC(=O)c1cc(C2CC2)nc2ccc(F)cc21)C(=O)[O-] ZINC000347268647 1025774786 /nfs/dbraw/zinc/77/47/86/1025774786.db2.gz ZDSOBRJFKXNPMW-MRXNPFEDSA-N -1 0 344.386 3.625 20 0 EHADRM COC(=O)c1ccc(O)c(NC(=O)C[C@H](C)c2ccc(F)cc2F)c1 ZINC000436511488 1025806123 /nfs/dbraw/zinc/80/61/23/1025806123.db2.gz WRZCIQVLFASZSQ-JTQLQIEISA-N -1 0 349.333 3.589 20 0 EHADRM COc1cc(NC(=O)c2cc(F)cc(Cl)c2[O-])c(C)c(OC)c1 ZINC000436514755 1025810028 /nfs/dbraw/zinc/81/00/28/1025810028.db2.gz POEROJOKHSEZGY-UHFFFAOYSA-N -1 0 339.750 3.763 20 0 EHADRM O=C(Nc1nc2cc(F)c(F)cc2s1)c1cc(F)c([O-])c(F)c1 ZINC000436527186 1025832333 /nfs/dbraw/zinc/83/23/33/1025832333.db2.gz COJAQXRDHQCFBM-UHFFFAOYSA-N -1 0 342.273 3.811 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1cccn1C1CCCC1 ZINC000191107009 1025848274 /nfs/dbraw/zinc/84/82/74/1025848274.db2.gz HWXBJSTWIZDMDW-KRWDZBQOSA-N -1 0 340.423 3.857 20 0 EHADRM O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)c1ccc(F)cc1[O-] ZINC000436547260 1025851162 /nfs/dbraw/zinc/85/11/62/1025851162.db2.gz WNRNEFNALSWBES-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM CC[C@@H](NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000324450572 1025885894 /nfs/dbraw/zinc/88/58/94/1025885894.db2.gz VLYRBZGNPAYBSC-XLIONFOSSA-N -1 0 325.408 3.687 20 0 EHADRM CCN(CC1CCC1)C(=O)c1cc(Br)c(F)cc1[O-] ZINC000451369825 1025895682 /nfs/dbraw/zinc/89/56/82/1025895682.db2.gz NHJZDZRWRJWQFT-UHFFFAOYSA-N -1 0 330.197 3.556 20 0 EHADRM O=C(N=c1nc(-c2cccnc2)[n-]s1)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000329518711 1025945730 /nfs/dbraw/zinc/94/57/30/1025945730.db2.gz FBOHMPKXDLIRJS-AEGPPILISA-N -1 0 342.468 3.567 20 0 EHADRM CC(C)Oc1ccc([C@H](C)NC(=O)C2=C(C(=O)[O-])CCCC2)cc1 ZINC000326911662 1025951287 /nfs/dbraw/zinc/95/12/87/1025951287.db2.gz OLPGBPDHHIYADO-ZDUSSCGKSA-N -1 0 331.412 3.606 20 0 EHADRM COc1c(Cl)cc(NC(=O)c2ccc(O)cc2O)cc1Cl ZINC000436631018 1025959907 /nfs/dbraw/zinc/95/99/07/1025959907.db2.gz RRMMNZYCGNMPML-UHFFFAOYSA-N -1 0 328.151 3.666 20 0 EHADRM c1c2c(nn1C1CCCC1)[C@@H](N=c1nc(C3CC3)[n-]s1)CCC2 ZINC000329528963 1025960396 /nfs/dbraw/zinc/96/03/96/1025960396.db2.gz UWVDBKWGXCNEHP-AWEZNQCLSA-N -1 0 329.473 3.639 20 0 EHADRM Oc1ccc(Oc2ccccc2)cc1-c1nc(-c2ccncn2)no1 ZINC000436634926 1025964588 /nfs/dbraw/zinc/96/45/88/1025964588.db2.gz NNXLRNJUTYWDHN-UHFFFAOYSA-N -1 0 332.319 3.692 20 0 EHADRM Cc1cc([C@@H](C)N2CCO[C@@H](CCc3ccccc3)C2)oc1C(=O)[O-] ZINC000583504999 1025972193 /nfs/dbraw/zinc/97/21/93/1025972193.db2.gz NUTWSHKSQUJWCM-WBVHZDCISA-N -1 0 343.423 3.681 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cnc3ccc(F)cc3c2)c1 ZINC000436651903 1025976981 /nfs/dbraw/zinc/97/69/81/1025976981.db2.gz IOIQAHAIZGRMDE-UHFFFAOYSA-N -1 0 338.338 3.925 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)Oc2cccc(C)c2)c1 ZINC000436652963 1025980910 /nfs/dbraw/zinc/98/09/10/1025980910.db2.gz RTMPVTPUZOSXSF-CYBMUJFWSA-N -1 0 327.380 3.699 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccc(Cl)c(OC)c2)c1 ZINC000436655236 1025986687 /nfs/dbraw/zinc/98/66/87/1025986687.db2.gz ZPRAXWVRKRGKFN-UHFFFAOYSA-N -1 0 333.771 3.899 20 0 EHADRM C[C@@H](CNC(=O)c1ccc([O-])c(Cl)c1)Oc1ccccc1Cl ZINC000436640138 1025989604 /nfs/dbraw/zinc/98/96/04/1025989604.db2.gz UPNHGUVGJHALQK-JTQLQIEISA-N -1 0 340.206 3.896 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C2(c3cccc(F)c3)CC2)c1 ZINC000436644343 1025993634 /nfs/dbraw/zinc/99/36/34/1025993634.db2.gz IYSZNKAUFMDWRK-UHFFFAOYSA-N -1 0 327.355 3.794 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccnc(OC3CCC3)c2)c1 ZINC000436646570 1025996461 /nfs/dbraw/zinc/99/64/61/1025996461.db2.gz AKRDQIHUVDFLJB-UHFFFAOYSA-N -1 0 340.379 3.564 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cccc(Br)c2)c1 ZINC000436647131 1025996977 /nfs/dbraw/zinc/99/69/77/1025996977.db2.gz IJMBRTLDQXCXJM-UHFFFAOYSA-N -1 0 348.196 4.000 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)Cc2cc(Cl)ccc2OC)c1 ZINC000436646591 1025997615 /nfs/dbraw/zinc/99/76/15/1025997615.db2.gz ORWBLLZCEBGCJR-UHFFFAOYSA-N -1 0 347.798 3.828 20 0 EHADRM COc1ccc(C)cc1[N-]S(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000443401193 1025999179 /nfs/dbraw/zinc/99/91/79/1025999179.db2.gz SSLAMXKIULOPSD-UHFFFAOYSA-N -1 0 347.436 3.518 20 0 EHADRM FC(F)C1(CN=c2[n-]c(-c3cc(Cl)cc(Cl)c3)no2)CC1 ZINC000530535080 1026014763 /nfs/dbraw/zinc/01/47/63/1026014763.db2.gz SQGGTQTXPPGNJH-UHFFFAOYSA-N -1 0 334.153 3.923 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2ccc(Cl)s2)c(C)c(OC)c1 ZINC000443419701 1026015311 /nfs/dbraw/zinc/01/53/11/1026015311.db2.gz RTHKCOATPKVNCF-UHFFFAOYSA-N -1 0 347.845 3.528 20 0 EHADRM CC(C)(CC(=O)NCc1ccccc1Oc1ccccc1)C(=O)[O-] ZINC000262297973 1026049216 /nfs/dbraw/zinc/04/92/16/1026049216.db2.gz YXTMWWOAYLWNSC-UHFFFAOYSA-N -1 0 327.380 3.596 20 0 EHADRM CC(C)Oc1ncccc1-c1noc(-c2ccc([O-])c(Cl)c2)n1 ZINC000436691206 1026050936 /nfs/dbraw/zinc/05/09/36/1026050936.db2.gz XMESCKSTWCDQDG-UHFFFAOYSA-N -1 0 331.759 3.945 20 0 EHADRM O=C([O-])c1cnc(-c2ccccc2)nc1/C=C\c1cc(O)cc(F)c1 ZINC000443444460 1026052065 /nfs/dbraw/zinc/05/20/65/1026052065.db2.gz KFKWVGLMJHYXCX-SREVYHEPSA-N -1 0 336.322 3.857 20 0 EHADRM Cc1cc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[nH]2)cc2cccnc12 ZINC000443453329 1026057710 /nfs/dbraw/zinc/05/77/10/1026057710.db2.gz KRXGIROTMAWYIY-ALCCZGGFSA-N -1 0 349.390 3.535 20 0 EHADRM O=S(=O)(NCC1(C(F)(F)F)CC1)c1ccc2ccccc2c1F ZINC000451537075 1026085111 /nfs/dbraw/zinc/08/51/11/1026085111.db2.gz SXRDRZHVPNSCCY-UHFFFAOYSA-N -1 0 347.333 3.600 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1Cc2cccc(Cl)c2C1 ZINC000436745419 1026116466 /nfs/dbraw/zinc/11/64/66/1026116466.db2.gz UKIRASHMVMXOGI-UHFFFAOYSA-N -1 0 326.154 3.994 20 0 EHADRM CC(=O)N(c1ccc(NC(=O)c2cc(Cl)ccc2[O-])cc1)C1CC1 ZINC000436727746 1026117176 /nfs/dbraw/zinc/11/71/76/1026117176.db2.gz CBLMNGNBRFULRA-UHFFFAOYSA-N -1 0 344.798 3.813 20 0 EHADRM C[C@@H]1C[C@H](C)C[N@@H+](Cc2cc(Br)ccc2C(=O)[O-])C1 ZINC000516188224 1026123053 /nfs/dbraw/zinc/12/30/53/1026123053.db2.gz YHLDCMZRXKWQPY-PHIMTYICSA-N -1 0 326.234 3.625 20 0 EHADRM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(C(F)(F)F)cc2O)C1(C)C ZINC000436751697 1026139861 /nfs/dbraw/zinc/13/98/61/1026139861.db2.gz NAUKBQINELUICU-KGLIPLIRSA-N -1 0 345.361 3.687 20 0 EHADRM COc1c(F)cc(F)cc1NC(=O)c1ccc(C(F)(F)F)cc1O ZINC000436751483 1026140114 /nfs/dbraw/zinc/14/01/14/1026140114.db2.gz LJAYCODRRUMKPJ-UHFFFAOYSA-N -1 0 347.239 3.950 20 0 EHADRM O=C([O-])CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)C1CC1 ZINC000324692293 1026164514 /nfs/dbraw/zinc/16/45/14/1026164514.db2.gz UKAXJURSNMSPEV-UHFFFAOYSA-N -1 0 326.352 3.560 20 0 EHADRM O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(Cl)cc1[O-] ZINC000192747537 1026334792 /nfs/dbraw/zinc/33/47/92/1026334792.db2.gz KENCCSMPNNUNDV-UHFFFAOYSA-N -1 0 344.798 3.534 20 0 EHADRM COCCSc1ccc([C@H](C)N=c2nc(C(C)C)[n-]s2)cc1 ZINC000530930779 1026430181 /nfs/dbraw/zinc/43/01/81/1026430181.db2.gz RIPZIPMQWAUULS-LBPRGKRZSA-N -1 0 337.514 3.995 20 0 EHADRM CCC(C)(C)N(C)C(=O)NC[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000684894612 1026433742 /nfs/dbraw/zinc/43/37/42/1026433742.db2.gz DWSGFQNWGNGKEF-CYBMUJFWSA-N -1 0 340.851 3.728 20 0 EHADRM O=C([O-])C1(CNC(=O)C2(C(F)(F)F)CCCCC2)CCCCC1 ZINC000582498350 1026434285 /nfs/dbraw/zinc/43/42/85/1026434285.db2.gz LMIPDKJTRWNOAV-UHFFFAOYSA-N -1 0 335.366 3.651 20 0 EHADRM COC(=O)C1(c2ccc(Nc3cc(C)cc(C(=O)[O-])c3)cc2)CC1 ZINC001211547192 1026444737 /nfs/dbraw/zinc/44/47/37/1026444737.db2.gz JPCCXRBWWKPQPR-UHFFFAOYSA-N -1 0 325.364 3.641 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2cccc3c2OCCC3)CCCCC1 ZINC000342625462 1026502965 /nfs/dbraw/zinc/50/29/65/1026502965.db2.gz ZMXDJFRBRQBDMN-UHFFFAOYSA-N -1 0 331.412 3.765 20 0 EHADRM Cc1ccc(C[S@@](=O)[C@H](CC(C)C)C(=O)[O-])cc1Br ZINC000582531289 1026508021 /nfs/dbraw/zinc/50/80/21/1026508021.db2.gz MKAZQRQBUCJNKH-BFUOFWGJSA-N -1 0 347.274 3.506 20 0 EHADRM CCCc1sc(C(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1CC ZINC000325017921 1026526863 /nfs/dbraw/zinc/52/68/63/1026526863.db2.gz FGNDVWFEPNLEAU-UHFFFAOYSA-N -1 0 347.436 3.979 20 0 EHADRM COc1cccc(Cl)c1CC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000192870856 1026542479 /nfs/dbraw/zinc/54/24/79/1026542479.db2.gz UDSIKGPLGVSNPC-UHFFFAOYSA-N -1 0 333.771 3.536 20 0 EHADRM Cc1cc(Nc2ccc3c(c2)C(C)(C)NC(=O)N3)cc(C(=O)[O-])c1 ZINC001211548962 1026584605 /nfs/dbraw/zinc/58/46/05/1026584605.db2.gz CFOMXUAWBTUSRB-UHFFFAOYSA-N -1 0 325.368 3.807 20 0 EHADRM CC(C)c1nc(=NCc2cc(F)cc(Br)c2)s[n-]1 ZINC000531170640 1026645739 /nfs/dbraw/zinc/64/57/39/1026645739.db2.gz NFMJFABRJMDYMD-UHFFFAOYSA-N -1 0 330.226 3.597 20 0 EHADRM CC(C)c1n[n-]c(=NCc2ccnc3c(Br)cccc23)o1 ZINC000582648006 1026857191 /nfs/dbraw/zinc/85/71/91/1026857191.db2.gz ANAAEWMMPKHWII-UHFFFAOYSA-N -1 0 347.216 3.538 20 0 EHADRM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C1=C(C(=O)[O-])CCCC1 ZINC000326990938 1026888467 /nfs/dbraw/zinc/88/84/67/1026888467.db2.gz MXGHTOYSXBKSIB-UHFFFAOYSA-N -1 0 341.329 3.619 20 0 EHADRM Cc1cc(C)c(-c2cccc(CO[C@@H]3CCOC3)c2)cc1C(=O)[O-] ZINC000563437382 1026952861 /nfs/dbraw/zinc/95/28/61/1026952861.db2.gz IOQPNJAQLQSYBU-QGZVFWFLSA-N -1 0 326.392 3.974 20 0 EHADRM COc1cc(-c2ccc(F)cc2CCC(=O)[O-])cnc1C(F)(F)F ZINC000563437354 1026953134 /nfs/dbraw/zinc/95/31/34/1026953134.db2.gz HYYDEFSBHBASBJ-UHFFFAOYSA-N -1 0 343.276 3.932 20 0 EHADRM COC[C@H](C)Oc1cccc(-c2cc(C)ccc2OCCC(=O)[O-])c1 ZINC000563440049 1026967646 /nfs/dbraw/zinc/96/76/46/1026967646.db2.gz YTQIUWOARMRHAN-HNNXBMFYSA-N -1 0 344.407 3.929 20 0 EHADRM Cc1cccc(CSCC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000237031225 1027148844 /nfs/dbraw/zinc/14/88/44/1027148844.db2.gz FGJRNXDZRUOCSB-UHFFFAOYSA-N -1 0 343.448 3.585 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000262170119 1027207870 /nfs/dbraw/zinc/20/78/70/1027207870.db2.gz DUHWMQHRVYZOHP-CQSZACIVSA-N -1 0 341.407 3.845 20 0 EHADRM COc1ccccc1-c1n[n-]c(=NCc2ccc(Cl)c(F)c2)o1 ZINC000428349994 1027273272 /nfs/dbraw/zinc/27/32/72/1027273272.db2.gz WUQLTCROCOCAHD-UHFFFAOYSA-N -1 0 333.750 3.572 20 0 EHADRM Cc1cc(=NC(=O)N2Cc3ccccc3-c3ccccc3C2)[n-]nc1C ZINC000467482646 1027297783 /nfs/dbraw/zinc/29/77/83/1027297783.db2.gz YUXFDWFOKVOAKJ-UHFFFAOYSA-N -1 0 344.418 3.730 20 0 EHADRM COc1c(F)c(F)ccc1Nc1ccc(S(=O)(=O)[O-])cc1Cl ZINC001211898325 1027320897 /nfs/dbraw/zinc/32/08/97/1027320897.db2.gz CNLCCTOHZHSLLR-UHFFFAOYSA-N -1 0 349.742 3.617 20 0 EHADRM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cn(C)c(C(C)C)n1 ZINC000414441969 1027356302 /nfs/dbraw/zinc/35/63/02/1027356302.db2.gz KKUIOIJFPJOKNI-UHFFFAOYSA-N -1 0 335.473 3.776 20 0 EHADRM C[C@@H](NC(=O)CC1(C(=O)[O-])CCCCC1)c1cccc(F)c1F ZINC000536563000 1027362303 /nfs/dbraw/zinc/36/23/03/1027362303.db2.gz ZDUVCHALAPRZBJ-LLVKDONJSA-N -1 0 325.355 3.567 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)c2cccc(OC3CCCCC3)c2)C1 ZINC000414446321 1027413292 /nfs/dbraw/zinc/41/32/92/1027413292.db2.gz YGLWRSICVMWLSO-FQEVSTJZSA-N -1 0 345.439 3.725 20 0 EHADRM CCc1nc(=N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)s[n-]1 ZINC000582741872 1027453609 /nfs/dbraw/zinc/45/36/09/1027453609.db2.gz IOEPANNYTNKYMR-HNNXBMFYSA-N -1 0 344.871 3.967 20 0 EHADRM O=C(c1cc(=O)c2ccccc2[n-]1)N(Cc1ccco1)c1ccccc1 ZINC000067511260 1027512798 /nfs/dbraw/zinc/51/27/98/1027512798.db2.gz FYZNOCWAWQTWJU-UHFFFAOYSA-N -1 0 344.370 3.968 20 0 EHADRM COc1ccc(-c2n[n-]c(=N[C@H](C)c3ncc(C)s3)s2)cc1 ZINC000420592682 1027644600 /nfs/dbraw/zinc/64/46/00/1027644600.db2.gz ARVFEMNVTRNJFA-SNVBAGLBSA-N -1 0 332.454 3.574 20 0 EHADRM CCc1cccc(C)c1N=c1[n-]nc(SCC(=O)C(C)C)s1 ZINC000501980895 1027677495 /nfs/dbraw/zinc/67/74/95/1027677495.db2.gz RUUIRKPFLODCBA-UHFFFAOYSA-N -1 0 335.498 3.892 20 0 EHADRM CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2)c1 ZINC000513786371 1027726615 /nfs/dbraw/zinc/72/66/15/1027726615.db2.gz FKKBDIOIMKXGNW-UHFFFAOYSA-N -1 0 341.436 3.932 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)/C=C\c1ccccc1Cl ZINC000320644638 1027787456 /nfs/dbraw/zinc/78/74/56/1027787456.db2.gz IRWBYDSVZOUDGZ-SRGDOPAZSA-N -1 0 333.815 3.598 20 0 EHADRM CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(F)(F)F ZINC000414475469 1027790077 /nfs/dbraw/zinc/79/00/77/1027790077.db2.gz HGDWXICDLVDLAW-JTQLQIEISA-N -1 0 349.296 3.571 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000422581452 1027806190 /nfs/dbraw/zinc/80/61/90/1027806190.db2.gz PXTKIFVGCWYIJY-CJNGLKHVSA-N -1 0 335.403 3.583 20 0 EHADRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000665862746 1027846922 /nfs/dbraw/zinc/84/69/22/1027846922.db2.gz KRIWDNPCIYVJTL-JYAVWHMHSA-N -1 0 345.468 3.572 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1C(=O)[O-] ZINC000582846207 1027979251 /nfs/dbraw/zinc/97/92/51/1027979251.db2.gz WVPTVFUYQZBRMV-WCBMZHEXSA-N -1 0 331.199 3.568 20 0 EHADRM Cc1cc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])c(Cl)cc1F ZINC000237682876 1027990962 /nfs/dbraw/zinc/99/09/62/1027990962.db2.gz RSJNOTSHKMYSJV-LLVKDONJSA-N -1 0 327.783 3.647 20 0 EHADRM Cc1cc(=NC(=O)C[C@@H](C)c2cccc(C(F)(F)F)c2)[n-]nc1C ZINC000523165453 1028001825 /nfs/dbraw/zinc/00/18/25/1028001825.db2.gz UUWLZLLYQSGUIE-LLVKDONJSA-N -1 0 337.345 3.666 20 0 EHADRM CCCC[C@H](NC(=O)c1cn(CC(C)C)c2ccccc12)C(=O)[O-] ZINC000347374665 1028055837 /nfs/dbraw/zinc/05/58/37/1028055837.db2.gz XELSVFIMGNMQRN-INIZCTEOSA-N -1 0 330.428 3.671 20 0 EHADRM O=C(Nc1ccc(Nc2ncccn2)cc1)c1cc(Cl)ccc1[O-] ZINC000444621785 1028093684 /nfs/dbraw/zinc/09/36/84/1028093684.db2.gz MYCQJTULYBTBBK-UHFFFAOYSA-N -1 0 340.770 3.832 20 0 EHADRM O=C(Nc1ccc(Nc2ncccn2)cc1)c1ccc(Cl)cc1[O-] ZINC000444624778 1028096535 /nfs/dbraw/zinc/09/65/35/1028096535.db2.gz YFMZHPVGKYUQBU-UHFFFAOYSA-N -1 0 340.770 3.832 20 0 EHADRM O=C(Nc1nc(-c2ccsc2)ns1)c1cc(F)c(F)cc1F ZINC000134167150 1028099975 /nfs/dbraw/zinc/09/99/75/1028099975.db2.gz OQTGBEUSHTTYAE-UHFFFAOYSA-N -1 0 341.339 3.936 20 0 EHADRM Cc1cc(C)cc(CN(C)C(=O)N=c2[n-]nc(C(C)(C)C)s2)c1 ZINC000434144174 1028102477 /nfs/dbraw/zinc/10/24/77/1028102477.db2.gz AWADEEIRMJXDNU-UHFFFAOYSA-N -1 0 332.473 3.538 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)nn1C(C)C ZINC000421169165 1028147009 /nfs/dbraw/zinc/14/70/09/1028147009.db2.gz AJDSCELJSWPNDV-UHFFFAOYSA-N -1 0 335.473 3.871 20 0 EHADRM CCOC(=O)c1nc(C)sc1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211958585 1028171240 /nfs/dbraw/zinc/17/12/40/1028171240.db2.gz YMOPQOZEAXZXQY-UHFFFAOYSA-N -1 0 340.788 3.723 20 0 EHADRM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000532694115 1028207419 /nfs/dbraw/zinc/20/74/19/1028207419.db2.gz SKMRGYONWGHWQH-CVEARBPZSA-N -1 0 346.471 3.778 20 0 EHADRM Cc1cnn(-c2ccccn2)c1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211962947 1028220026 /nfs/dbraw/zinc/22/00/26/1028220026.db2.gz UGEBQVXTXCDRTE-UHFFFAOYSA-N -1 0 328.759 3.671 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)[C@@H]2CC23CCCCC3)s[n-]1 ZINC000472272122 1028308535 /nfs/dbraw/zinc/30/85/35/1028308535.db2.gz CXZBBOBETYJPPO-NSHDSACASA-N -1 0 333.482 3.906 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)c2cccc(C(C)C)n2)s[n-]1 ZINC000472271964 1028312524 /nfs/dbraw/zinc/31/25/24/1028312524.db2.gz BYLHZEORAVDPJY-UHFFFAOYSA-N -1 0 344.465 3.768 20 0 EHADRM COc1nc(Br)ccc1Nc1cccc(C(=O)[O-])c1C ZINC001216657409 1028332546 /nfs/dbraw/zinc/33/25/46/1028332546.db2.gz ZBEFKZNGUJKOEQ-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM COC(=O)c1c(Nc2cc(Cl)cc(C(=O)[O-])c2)cccc1OC ZINC001211967281 1028338060 /nfs/dbraw/zinc/33/80/60/1028338060.db2.gz ZQWZTUDMSJHCGC-UHFFFAOYSA-N -1 0 335.743 3.577 20 0 EHADRM O=C(N=c1ncn(C2CCCCC2)[n-]1)c1cc2cc(Cl)sc2[nH]1 ZINC000582957424 1028367083 /nfs/dbraw/zinc/36/70/83/1028367083.db2.gz VEAJOYPKONLVAE-UHFFFAOYSA-N -1 0 349.847 3.654 20 0 EHADRM C[C@H]1Cc2cc(Nc3cc(Cl)cc(C(=O)[O-])c3)ccc2N(C)C1=O ZINC001211969404 1028429025 /nfs/dbraw/zinc/42/90/25/1028429025.db2.gz HTUGJZIWGDBXDU-JTQLQIEISA-N -1 0 344.798 3.937 20 0 EHADRM Cc1ccc(Br)c(Nc2cc(CC(=O)[O-])ccc2F)n1 ZINC001216677161 1028459136 /nfs/dbraw/zinc/45/91/36/1028459136.db2.gz SJMCTLRIFCGASW-UHFFFAOYSA-N -1 0 339.164 3.662 20 0 EHADRM CN1CCN(C(=O)c2ccc3[n-]c(=S)oc3c2)c2ccccc2C1 ZINC000073383743 1028556438 /nfs/dbraw/zinc/55/64/38/1028556438.db2.gz NSJJYXXVDGINNE-UHFFFAOYSA-N -1 0 339.420 3.583 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000236663191 1028560559 /nfs/dbraw/zinc/56/05/59/1028560559.db2.gz NGZOXXFNEPYKEK-GFCCVEGCSA-N -1 0 345.361 3.768 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)Nc2cccc(COC(C)C)c2)s1 ZINC000502693624 1028583701 /nfs/dbraw/zinc/58/37/01/1028583701.db2.gz JJQNJNIZEISVFM-UHFFFAOYSA-N -1 0 348.472 3.872 20 0 EHADRM CCC[C@@](C)(NC(=O)[C@H](C)Oc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000236965898 1028604203 /nfs/dbraw/zinc/60/42/03/1028604203.db2.gz YMWOKVMFWAKYQN-BJOHPYRUSA-N -1 0 348.226 3.520 20 0 EHADRM O=C([O-])/C=C\c1cnc(/C=C\c2cn3cc(Cl)ccc3n2)s1 ZINC000255564843 1028611699 /nfs/dbraw/zinc/61/16/99/1028611699.db2.gz MOICCZHCVMVGJI-SXUARNTMSA-N -1 0 331.784 3.712 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cccc(OCCF)c2)CCCCCC1 ZINC000238070154 1028641940 /nfs/dbraw/zinc/64/19/40/1028641940.db2.gz YJANAKTWNJHWDK-UHFFFAOYSA-N -1 0 337.391 3.789 20 0 EHADRM CCc1sc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)cc1C ZINC000237104037 1028642347 /nfs/dbraw/zinc/64/23/47/1028642347.db2.gz HKRQKRJKIIGRNK-AWEZNQCLSA-N -1 0 331.437 3.873 20 0 EHADRM COCCOc1cccc(-c2noc(-c3ccc([O-])c(Cl)c3)n2)c1 ZINC000445237020 1028645324 /nfs/dbraw/zinc/64/53/24/1028645324.db2.gz WXTNTQZKUILMQJ-UHFFFAOYSA-N -1 0 346.770 3.788 20 0 EHADRM C[C@H](CC(=O)N(CC(=O)[O-])Cc1ccccc1)Cc1cccc(F)c1 ZINC000237509266 1028653462 /nfs/dbraw/zinc/65/34/62/1028653462.db2.gz QJIXUYDKZCGDOZ-HNNXBMFYSA-N -1 0 343.398 3.508 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1cccc(F)c1Cl ZINC000237608306 1028659781 /nfs/dbraw/zinc/65/97/81/1028659781.db2.gz LNNXRGXHMNBYST-CQSZACIVSA-N -1 0 335.762 3.733 20 0 EHADRM O=C([O-])CN(Cc1ccccc1)C(=O)c1cc(Cl)ccc1Cl ZINC000238149536 1028678666 /nfs/dbraw/zinc/67/86/66/1028678666.db2.gz XIJABSUPMFTKFT-UHFFFAOYSA-N -1 0 338.190 3.720 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)n1 ZINC000504508409 1028695301 /nfs/dbraw/zinc/69/53/01/1028695301.db2.gz UTDXTJJURYUSDK-UHFFFAOYSA-N -1 0 340.470 3.522 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc3ccccc3n2)c(Cl)c1 ZINC000523933218 1028722384 /nfs/dbraw/zinc/72/23/84/1028722384.db2.gz UDSDCFRRLYCQSQ-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM CCO[C@@H](CNC(=O)c1c(C)ccc(C)c1C(=O)[O-])c1ccccc1 ZINC000634831782 1028776637 /nfs/dbraw/zinc/77/66/37/1028776637.db2.gz JIASWOWLSGYPAR-INIZCTEOSA-N -1 0 341.407 3.509 20 0 EHADRM CC(C)N(C)c1ccccc1CNC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000445487100 1028848049 /nfs/dbraw/zinc/84/80/49/1028848049.db2.gz RAGCGEJTTQLEIP-UHFFFAOYSA-N -1 0 346.471 3.573 20 0 EHADRM Cc1c(Cl)cccc1N=c1[n-]nc(SC[C@H]2C[C@@H](O)C2)s1 ZINC000421843089 1028865472 /nfs/dbraw/zinc/86/54/72/1028865472.db2.gz MGNMYRLAHLKHBQ-AOOOYVTPSA-N -1 0 341.889 3.528 20 0 EHADRM COc1ccc(/C=C/c2cc(C(=O)[O-])ccn2)c(Br)c1 ZINC000504728624 1028868915 /nfs/dbraw/zinc/86/89/15/1028868915.db2.gz FOMDVCNBJWGQDJ-DUXPYHPUSA-N -1 0 334.169 3.721 20 0 EHADRM O=C(CCSc1ccccn1)Nc1cc(F)cc(Cl)c1[O-] ZINC000353855000 1028926928 /nfs/dbraw/zinc/92/69/28/1028926928.db2.gz AECOPYFTUNMQNK-UHFFFAOYSA-N -1 0 326.780 3.701 20 0 EHADRM C[C@H]1CCCN(Cc2csc(CCc3ccccc3)n2)[C@H]1C(=O)[O-] ZINC000424270438 1028942043 /nfs/dbraw/zinc/94/20/43/1028942043.db2.gz NLBKCKLKVVZVEN-KBXCAEBGSA-N -1 0 344.480 3.613 20 0 EHADRM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424395758 1029030936 /nfs/dbraw/zinc/03/09/36/1029030936.db2.gz FSMJJRMTOTYVNT-MRXNPFEDSA-N -1 0 334.460 3.834 20 0 EHADRM CC(C)N(Cc1cccc(Cl)c1)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424401130 1029050099 /nfs/dbraw/zinc/05/00/99/1029050099.db2.gz YEDDJTJOHZSRKG-UHFFFAOYSA-N -1 0 340.851 3.761 20 0 EHADRM Cc1cnc([N-]S(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)s1 ZINC000058704881 1029061304 /nfs/dbraw/zinc/06/13/04/1029061304.db2.gz DSGJDOSUFQWQCJ-UHFFFAOYSA-N -1 0 338.498 3.589 20 0 EHADRM CSc1ccc([C@H](C)NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000424445949 1029068370 /nfs/dbraw/zinc/06/83/70/1029068370.db2.gz FQAFVEVFKWTYNC-GXTWGEPZSA-N -1 0 338.473 3.516 20 0 EHADRM CCCOc1ccc(NC(=O)NCC(CC)(CC)C(=O)[O-])c(C)c1 ZINC000424480138 1029085738 /nfs/dbraw/zinc/08/57/38/1029085738.db2.gz YKVBTHNBGWLWOD-UHFFFAOYSA-N -1 0 336.432 3.796 20 0 EHADRM CC[C@H](NC(=O)N=c1ccc(C2CC2)n[n-]1)c1ccc(Cl)s1 ZINC000532985405 1029144327 /nfs/dbraw/zinc/14/43/27/1029144327.db2.gz HQQVAJKPPOXOHO-JTQLQIEISA-N -1 0 336.848 3.764 20 0 EHADRM Cc1ccc(S[C@H](C)C(=O)Nc2cccc(OCC(=O)[O-])c2)cc1 ZINC000347380106 1029158332 /nfs/dbraw/zinc/15/83/32/1029158332.db2.gz VMCUNRUIUINOSZ-CYBMUJFWSA-N -1 0 345.420 3.578 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N[C@H](c2ccccc2)C2CCC2)CC1 ZINC000583206193 1029238790 /nfs/dbraw/zinc/23/87/90/1029238790.db2.gz LDEHNSITWAZKMD-ITXXBFQVSA-N -1 0 329.440 3.925 20 0 EHADRM CC[C@H](c1n[n-]c(=NCc2cncn2C(C)C)s1)c1ccccc1 ZINC000424710303 1029260031 /nfs/dbraw/zinc/26/00/31/1029260031.db2.gz BDUFBRMUGLMWMU-INIZCTEOSA-N -1 0 341.484 3.891 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)NCCCCCCCC(=O)[O-] ZINC000271990661 1029263180 /nfs/dbraw/zinc/26/31/80/1029263180.db2.gz ZVKSIICWOUGNSW-INIZCTEOSA-N -1 0 349.471 3.805 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CCCOCCc2ccccc2)c1 ZINC000272069784 1029297721 /nfs/dbraw/zinc/29/77/21/1029297721.db2.gz HTEXJQVKHXNDPJ-UHFFFAOYSA-N -1 0 341.407 3.573 20 0 EHADRM CCc1oc(C(=O)N2C[C@H](C)C[C@@H]2c2ccccc2F)cc1C(=O)[O-] ZINC000261607969 1029459828 /nfs/dbraw/zinc/45/98/28/1029459828.db2.gz DYXCPZGUFYQUML-IAQYHMDHSA-N -1 0 345.370 3.903 20 0 EHADRM O=C([O-])Cc1sccc1-c1ccc(OC[C@@H]2CCCCO2)cc1 ZINC000583273800 1029490036 /nfs/dbraw/zinc/49/00/36/1029490036.db2.gz BNVUAEZEYINKMJ-HNNXBMFYSA-N -1 0 332.421 3.990 20 0 EHADRM C[C@](O)(CCc1ccccc1)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000513823440 1029523289 /nfs/dbraw/zinc/52/32/89/1029523289.db2.gz UZLWVDJJJBDCQH-KRWDZBQOSA-N -1 0 337.778 3.507 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000272671662 1029558944 /nfs/dbraw/zinc/55/89/44/1029558944.db2.gz KRHPZDQTFWJPDB-RYUDHWBXSA-N -1 0 329.318 3.902 20 0 EHADRM Cc1sc(C(=O)N([C@@H](C)C(=O)[O-])C2CC2)cc1-c1ccc(F)cc1 ZINC000262096243 1029560078 /nfs/dbraw/zinc/56/00/78/1029560078.db2.gz GZSWCFCVRUXOMS-JTQLQIEISA-N -1 0 347.411 3.940 20 0 EHADRM CC(C)Oc1ccc([C@@H](C)NC(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000262337455 1029586791 /nfs/dbraw/zinc/58/67/91/1029586791.db2.gz FTHWVQWJTSNRTA-GFCCVEGCSA-N -1 0 345.370 3.802 20 0 EHADRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)Nc1cccc(F)c1 ZINC000583300131 1029600613 /nfs/dbraw/zinc/60/06/13/1029600613.db2.gz IPYPQKXPFHNMRK-XJKSGUPXSA-N -1 0 334.391 3.713 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCC[C@H]2Cc2ccccc2)s1 ZINC000262566489 1029606581 /nfs/dbraw/zinc/60/65/81/1029606581.db2.gz BLXFAIYFOGMROE-AWEZNQCLSA-N -1 0 329.421 3.684 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)C[C@H](C)Cc1cccc(F)c1 ZINC000262905942 1029649929 /nfs/dbraw/zinc/64/99/29/1029649929.db2.gz JDFXZAMCGGJVFW-GFCCVEGCSA-N -1 0 345.370 3.740 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)NC[C@H](C)c2cccc(C)c2)s1 ZINC000524993906 1029650794 /nfs/dbraw/zinc/65/07/94/1029650794.db2.gz GOAUMWLHECMNDY-ZDUSSCGKSA-N -1 0 332.473 3.536 20 0 EHADRM CCCc1ccc(C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1 ZINC000262925872 1029652151 /nfs/dbraw/zinc/65/21/51/1029652151.db2.gz OLRLZYDVWAMOFE-MOPGFXCFSA-N -1 0 337.419 3.580 20 0 EHADRM CN(c1ccccc1NC(=O)NC(C)(C)CCC(=O)[O-])C1CCCC1 ZINC000263003349 1029655456 /nfs/dbraw/zinc/65/54/56/1029655456.db2.gz GLMGRSRYFCJTRZ-UHFFFAOYSA-N -1 0 347.459 3.830 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2c(C(=O)[O-])cccc2C(C)C)cc1C ZINC000511237868 1029655587 /nfs/dbraw/zinc/65/55/87/1029655587.db2.gz BBBXEVAMPLRPNX-UHFFFAOYSA-N -1 0 347.436 3.926 20 0 EHADRM Cc1c2cccc(Cl)c2oc1C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000263046966 1029661069 /nfs/dbraw/zinc/66/10/69/1029661069.db2.gz RUJDISGTBBAFFX-VHRBIJSZSA-N -1 0 347.798 3.720 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000263081610 1029664349 /nfs/dbraw/zinc/66/43/49/1029664349.db2.gz UWQKPMXEPXRTIE-NVBFEUDRSA-N -1 0 347.411 3.674 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N3CCC[C@](C)(C(=O)[O-])C3)o2)cc1 ZINC000263031303 1029665774 /nfs/dbraw/zinc/66/57/74/1029665774.db2.gz PLYNFTXAZRJNPW-FQEVSTJZSA-N -1 0 341.407 3.836 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(C(=O)c2ccc(Cl)o2)CC1 ZINC000263157415 1029670276 /nfs/dbraw/zinc/67/02/76/1029670276.db2.gz XVAXHAKYNPWQGH-UHFFFAOYSA-N -1 0 347.798 3.726 20 0 EHADRM Cc1cc2ccccc2c(NC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000263156347 1029670401 /nfs/dbraw/zinc/67/04/01/1029670401.db2.gz PYLSYSLQPKRWQF-ZFWWWQNUSA-N -1 0 326.396 3.723 20 0 EHADRM CC(C)c1ncsc1NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000263189613 1029670953 /nfs/dbraw/zinc/67/09/53/1029670953.db2.gz VMGUULMZTASMHV-UHFFFAOYSA-N -1 0 333.413 3.928 20 0 EHADRM CCC[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000263173795 1029671049 /nfs/dbraw/zinc/67/10/49/1029671049.db2.gz KXDICNHCXKYYKH-YUSALJHKSA-N -1 0 344.238 3.714 20 0 EHADRM CCC[C@@H](CNC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)[O-] ZINC000263243103 1029678925 /nfs/dbraw/zinc/67/89/25/1029678925.db2.gz UGWVOQYWDIHIIJ-NSHDSACASA-N -1 0 345.420 3.538 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000263261749 1029682325 /nfs/dbraw/zinc/68/23/25/1029682325.db2.gz UVDHMHKFLWRDDK-OPGCRTJHSA-N -1 0 337.419 3.655 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)c2ccc(Cl)c(C)c2)sc1C(=O)[O-] ZINC000263285722 1029683962 /nfs/dbraw/zinc/68/39/62/1029683962.db2.gz POJGTJLEIIBGJM-SECBINFHSA-N -1 0 338.816 3.603 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)N[C@@H](CC2CCC2)c2ccccc2)C1 ZINC000263319970 1029687560 /nfs/dbraw/zinc/68/75/60/1029687560.db2.gz JIQDQADGLLVFMQ-JLSDUUJJSA-N -1 0 344.455 3.670 20 0 EHADRM CC[C@H](Oc1ccccc1F)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000263335601 1029688720 /nfs/dbraw/zinc/68/87/20/1029688720.db2.gz QVSWJXFHDPHMRM-LRDDRELGSA-N -1 0 345.370 3.810 20 0 EHADRM C[C@@H]1CN(C(=O)Cc2ccc(C(=O)[O-])cc2)CC[C@@H]1c1ccccc1 ZINC000263325208 1029689116 /nfs/dbraw/zinc/68/91/16/1029689116.db2.gz KDZZGRFFNVKQAE-BEFAXECRSA-N -1 0 337.419 3.580 20 0 EHADRM COc1ccc([C@H]2CCCCCN2C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000263349108 1029689971 /nfs/dbraw/zinc/68/99/71/1029689971.db2.gz VAIQJEUOBGDSPZ-SOLBZPMBSA-N -1 0 345.439 3.640 20 0 EHADRM CCCN(C(=O)NCCC(=O)[O-])[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000263377158 1029693486 /nfs/dbraw/zinc/69/34/86/1029693486.db2.gz OKFKDWAZDYPOFS-JTQLQIEISA-N -1 0 347.242 3.951 20 0 EHADRM COCc1cccc(C(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)c1 ZINC000263404810 1029695003 /nfs/dbraw/zinc/69/50/03/1029695003.db2.gz KDPIPDIZSKDHDO-GOSISDBHSA-N -1 0 347.455 3.767 20 0 EHADRM Cc1ccc(NC(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)c(F)c1 ZINC000263484490 1029703259 /nfs/dbraw/zinc/70/32/59/1029703259.db2.gz MAAXQSSPXFMNAQ-OAHLLOKOSA-N -1 0 344.386 3.732 20 0 EHADRM Cc1ccc(C(=O)N=c2nc(-c3ccsc3)[n-]s2)c(Cl)c1 ZINC000427597455 1029704289 /nfs/dbraw/zinc/70/42/89/1029704289.db2.gz VAXORZIEDGOCBR-UHFFFAOYSA-N -1 0 335.841 3.903 20 0 EHADRM CC(=C([O-])Nc1nc(-c2ccccc2)ns1)c1ccc(F)c(F)c1 ZINC000525146852 1029706496 /nfs/dbraw/zinc/70/64/96/1029706496.db2.gz OLLSQVBYHHSULO-JTQLQIEISA-N -1 0 345.374 3.647 20 0 EHADRM CCCC[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000263514028 1029707163 /nfs/dbraw/zinc/70/71/63/1029707163.db2.gz DDVLCYCYMNEPQY-YGRLFVJLSA-N -1 0 329.799 3.937 20 0 EHADRM O=C([O-])[C@@H]1CN(c2ccc3ccc(Cl)cc3n2)C[C@H]1C(F)(F)F ZINC000263569363 1029725900 /nfs/dbraw/zinc/72/59/00/1029725900.db2.gz ZISLOIFFEGOJIW-GHMZBOCLSA-N -1 0 344.720 3.588 20 0 EHADRM CCOc1cccc2cc([C@@H](C)N=c3nc([C@@H](C)OC)[n-]s3)oc21 ZINC000509687784 1029767352 /nfs/dbraw/zinc/76/73/52/1029767352.db2.gz XWOIMORPGOQJHQ-GHMZBOCLSA-N -1 0 347.440 3.985 20 0 EHADRM Cc1ccc(-c2n[n-]c(=NCc3cc4ccc(F)cc4[nH]3)o2)s1 ZINC000446965722 1029868268 /nfs/dbraw/zinc/86/82/68/1029868268.db2.gz KVBAFYHYWTWYBZ-UHFFFAOYSA-N -1 0 328.372 3.761 20 0 EHADRM COc1cc(C)cc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)c1C ZINC000278274487 1029883753 /nfs/dbraw/zinc/88/37/53/1029883753.db2.gz PBJYHLKTXDJQNN-HXUWFJFHSA-N -1 0 341.407 3.683 20 0 EHADRM CCCCOc1ccc(CCN=c2nc([C@@H](C)OC)[n-]s2)cc1 ZINC000509650468 1029948856 /nfs/dbraw/zinc/94/88/56/1029948856.db2.gz IOQMXOJQBIWISZ-CYBMUJFWSA-N -1 0 335.473 3.501 20 0 EHADRM O=C(Cc1nc(=O)c2sccc2[n-]1)c1cccc(C(F)(F)F)c1 ZINC000447128460 1029966095 /nfs/dbraw/zinc/96/60/95/1029966095.db2.gz KMAVIZYUJMOKJL-UHFFFAOYSA-N -1 0 338.310 3.841 20 0 EHADRM CCC[C@H](Sc1n[n-]c(=Nc2ccccc2)s1)C(=O)OCC ZINC000525625311 1029996212 /nfs/dbraw/zinc/99/62/12/1029996212.db2.gz XQMNXGUJUYWIRP-LBPRGKRZSA-N -1 0 337.470 3.528 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ncc(-c3ccccc3)cn2)c1 ZINC000481875442 1030063409 /nfs/dbraw/zinc/06/34/09/1030063409.db2.gz PDJODIRAPUVLHI-UHFFFAOYSA-N -1 0 339.420 3.561 20 0 EHADRM C[C@H](N=c1[n-]nc(-c2ccccc2)s1)c1ccc(-n2cccn2)cc1 ZINC000525758617 1030079450 /nfs/dbraw/zinc/07/94/50/1030079450.db2.gz XKJZLSDQLCRSSF-AWEZNQCLSA-N -1 0 347.447 3.986 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N3C[C@H](C)C[C@@H]3C)s2)c1 ZINC000481953602 1030133614 /nfs/dbraw/zinc/13/36/14/1030133614.db2.gz XYFCHGTYXCCWBJ-OLZOCXBDSA-N -1 0 330.457 3.506 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)C=Cc2ccccc2F)s1 ZINC000042318191 1030140466 /nfs/dbraw/zinc/14/04/66/1030140466.db2.gz NHRZTZZQLVQFPD-BQYQJAHWSA-N -1 0 325.386 3.554 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N(C)[C@@H](C)C(C)C)s2)c1 ZINC000481975155 1030141008 /nfs/dbraw/zinc/14/10/08/1030141008.db2.gz FPLVLWVQVDXBPE-ZDUSSCGKSA-N -1 0 332.473 3.752 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N(C)[C@H](C)C3(C)CC3)s2)c1 ZINC000481966363 1030147102 /nfs/dbraw/zinc/14/71/02/1030147102.db2.gz WNIPWOVGZJXKSE-CYBMUJFWSA-N -1 0 344.484 3.896 20 0 EHADRM O=C([O-])CCC[S@](=O)c1ccc(-c2ccc(OC3CC3)cc2)cc1 ZINC000600965556 1030232683 /nfs/dbraw/zinc/23/26/83/1030232683.db2.gz RKGUZIHKPXSOPI-DEOSSOPVSA-N -1 0 344.432 3.867 20 0 EHADRM CC1(C)CCCN(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])CC1 ZINC000447524711 1030245581 /nfs/dbraw/zinc/24/55/81/1030245581.db2.gz SFYNIZCNMREIGH-UHFFFAOYSA-N -1 0 347.846 3.884 20 0 EHADRM O=C(NCc1ccc(O)c(F)c1)Nc1ncc(-c2ccccc2)s1 ZINC000121439419 1030268898 /nfs/dbraw/zinc/26/88/98/1030268898.db2.gz LKYGVHFXUOTPAQ-UHFFFAOYSA-N -1 0 343.383 3.977 20 0 EHADRM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cc3ccccc3o2)n[nH]1 ZINC000532113935 1030382534 /nfs/dbraw/zinc/38/25/34/1030382534.db2.gz SWTVWHDJGXXUDD-NSHDSACASA-N -1 0 333.413 3.860 20 0 EHADRM CCO[C@@H](CNC(=O)c1cc(F)cc(Cl)c1[O-])c1ccccc1 ZINC000447715976 1030449029 /nfs/dbraw/zinc/44/90/29/1030449029.db2.gz AVMGUQSNFZVVON-HNNXBMFYSA-N -1 0 337.778 3.692 20 0 EHADRM C[C@@H](NC(=O)N=c1ncn(C(C)(C)C)[n-]1)c1cc2ccccc2s1 ZINC000526950073 1030497673 /nfs/dbraw/zinc/49/76/73/1030497673.db2.gz REZOWJBTAPZXQR-LLVKDONJSA-N -1 0 343.456 3.552 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)[C@H]3C[C@H]3c3sccc3C)[nH][n-]2)o1 ZINC000447805553 1030505910 /nfs/dbraw/zinc/50/59/10/1030505910.db2.gz JCTJKECUDYUXEJ-NEPJUHHUSA-N -1 0 327.409 3.512 20 0 EHADRM C[C@@]1(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC=CCC1 ZINC001212125673 1030520846 /nfs/dbraw/zinc/52/08/46/1030520846.db2.gz CXMPZSYFKFNWRN-CYBMUJFWSA-N -1 0 338.231 3.910 20 0 EHADRM Cc1ccc2c(CC(=O)N=c3ccc(-c4ccccc4)n[n-]3)coc2c1 ZINC000532316346 1030539146 /nfs/dbraw/zinc/53/91/46/1030539146.db2.gz GDUUHWHADCHFEM-UHFFFAOYSA-N -1 0 343.386 3.801 20 0 EHADRM O=C(NCc1sccc1Br)c1ccc([O-])c(Cl)c1 ZINC000060473444 1030564801 /nfs/dbraw/zinc/56/48/01/1030564801.db2.gz BKDASXCBWGRCPJ-UHFFFAOYSA-N -1 0 346.633 3.800 20 0 EHADRM CC(C)c1ccccc1S(=O)(=O)[N-]c1cccc2c1OCCC2=O ZINC000527038101 1030586447 /nfs/dbraw/zinc/58/64/47/1030586447.db2.gz NGFKVYSXEBFMGZ-UHFFFAOYSA-N -1 0 345.420 3.576 20 0 EHADRM CCSc1n[n-]c(=NCc2ccc(C(F)(F)F)s2)s1 ZINC000447948503 1030599710 /nfs/dbraw/zinc/59/97/10/1030599710.db2.gz OVWXXTIGRFQCRM-UHFFFAOYSA-N -1 0 325.406 3.764 20 0 EHADRM CC1(C)CCCN(C(=O)N=c2[n-]nc(/C=C\c3ccco3)s2)CC1 ZINC000343388215 1030633882 /nfs/dbraw/zinc/63/38/82/1030633882.db2.gz KASVPHUZTZFNJM-SREVYHEPSA-N -1 0 346.456 3.767 20 0 EHADRM Cc1ccc(Nc2cc(C(C)(C)C)sc2C(N)=O)cc1C(=O)[O-] ZINC001211596491 1030665133 /nfs/dbraw/zinc/66/51/33/1030665133.db2.gz FFZWBDLZYPXFCF-UHFFFAOYSA-N -1 0 332.425 3.895 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)cc1 ZINC000194485780 1030706126 /nfs/dbraw/zinc/70/61/26/1030706126.db2.gz PXSYWAMXRQBGSE-NTKDMRAZSA-N -1 0 347.455 3.755 20 0 EHADRM CCOC(=O)c1cnc(Cl)cc1Nc1ccc(C)c(C(=O)[O-])c1 ZINC001211597313 1030707342 /nfs/dbraw/zinc/70/73/42/1030707342.db2.gz YJPIUMDFQXEIBH-UHFFFAOYSA-N -1 0 334.759 3.662 20 0 EHADRM Cc1ccccc1S([O-])=CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000194529982 1030838661 /nfs/dbraw/zinc/83/86/61/1030838661.db2.gz RODIQVOPWDNCQG-NTKDMRAZSA-N -1 0 347.455 3.755 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)s[n-]1 ZINC000550967853 1030842408 /nfs/dbraw/zinc/84/24/08/1030842408.db2.gz GVDXXUVYVBPVJK-WDEREUQCSA-N -1 0 335.860 3.653 20 0 EHADRM Cc1ccc(Nc2cc(Br)ncc2F)cc1C(=O)[O-] ZINC001211599414 1030846767 /nfs/dbraw/zinc/84/67/67/1030846767.db2.gz KCEACRWGCVNZED-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM COc1cccc(Cn2nccc2Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC001211599494 1030849767 /nfs/dbraw/zinc/84/97/67/1030849767.db2.gz NORCLNUTTXEXBL-UHFFFAOYSA-N -1 0 337.379 3.690 20 0 EHADRM O=C(c1nn(-c2ccccc2)cc1[O-])N1CCC[C@@H]1c1cccs1 ZINC000172011179 1030861569 /nfs/dbraw/zinc/86/15/69/1030861569.db2.gz ZZXDODNIFMCLFO-CQSZACIVSA-N -1 0 339.420 3.617 20 0 EHADRM CC(C)=C[C@H]1[C@@H](C(=O)N=c2[nH]n(CC(F)(F)F)cc2Cl)C1(C)C ZINC000648434003 1030909963 /nfs/dbraw/zinc/90/99/63/1030909963.db2.gz YFWIXONOOPHITR-ONGXEEELSA-N -1 0 349.784 3.698 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000262835093 1030923396 /nfs/dbraw/zinc/92/33/96/1030923396.db2.gz SIBMCVLAERIEPA-MLGOLLRUSA-N -1 0 343.810 3.734 20 0 EHADRM C[C@H]1C[C@@H](N=c2[n-]nc(-c3cc(Cl)cc(Cl)c3)s2)CCO1 ZINC000537674254 1030943417 /nfs/dbraw/zinc/94/34/17/1030943417.db2.gz YBVAEPKNUIZDME-UFBFGSQYSA-N -1 0 344.267 3.913 20 0 EHADRM C[C@H]1CCC[C@H](C)N1C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000668218746 1031031075 /nfs/dbraw/zinc/03/10/75/1031031075.db2.gz UHMMKXYWOVLLDL-RYUDHWBXSA-N -1 0 333.819 3.634 20 0 EHADRM O=C([O-])c1ccc(CN2CCO[C@H](c3cccs3)C2)cc1Cl ZINC000583877594 1031035144 /nfs/dbraw/zinc/03/51/44/1031035144.db2.gz QWCLQBWLAKCUPI-AWEZNQCLSA-N -1 0 337.828 3.673 20 0 EHADRM O=S(=O)([N-]c1cc(F)ccc1F)c1c(Cl)ccc(F)c1F ZINC000551107641 1031040231 /nfs/dbraw/zinc/04/02/31/1031040231.db2.gz WRMYNRKAMHYVOX-UHFFFAOYSA-N -1 0 339.697 3.697 20 0 EHADRM O=C(c1nn(-c2cccc(Cl)c2)cc1[O-])N(C1CC1)C1CCCC1 ZINC000668221948 1031044274 /nfs/dbraw/zinc/04/42/74/1031044274.db2.gz QMFGFLUFFSHERO-UHFFFAOYSA-N -1 0 345.830 3.779 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)cc1 ZINC000261853059 1031085017 /nfs/dbraw/zinc/08/50/17/1031085017.db2.gz JQQNNLRBWXJHTL-QWHCGFSZSA-N -1 0 329.318 3.621 20 0 EHADRM CC(C)Cc1nnc([N-]C(=O)c2cc(-c3ccc(F)cc3)no2)s1 ZINC000666967749 1031088597 /nfs/dbraw/zinc/08/85/97/1031088597.db2.gz QMCMUMVSAGSMIM-UHFFFAOYSA-N -1 0 346.387 3.783 20 0 EHADRM C[C@H](C(=O)N=c1cc(C(F)(F)F)[n-][nH]1)c1ccc2ccccc2c1 ZINC000448513502 1031158835 /nfs/dbraw/zinc/15/88/35/1031158835.db2.gz GUASHRJLBJDHAA-JTQLQIEISA-N -1 0 333.313 3.746 20 0 EHADRM C[C@@H](Oc1cccc(/C=C\c2ccc3cccc(O)c3n2)c1)C(=O)[O-] ZINC000477044612 1031212603 /nfs/dbraw/zinc/21/26/03/1031212603.db2.gz GYYRNVCJCILJGW-CHOZFAJLSA-N -1 0 335.359 3.963 20 0 EHADRM CCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cscc3C)c2)n1 ZINC000175608617 1031351902 /nfs/dbraw/zinc/35/19/02/1031351902.db2.gz FYRWVCGNILXMRD-UHFFFAOYSA-N -1 0 339.420 3.622 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2CCCC[C@H]2c2ccc(F)cc2)s1 ZINC000483840691 1031371442 /nfs/dbraw/zinc/37/14/42/1031371442.db2.gz VCLRIIKQCRVWJK-AWEZNQCLSA-N -1 0 348.447 3.811 20 0 EHADRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2O)c1 ZINC000551476851 1031375593 /nfs/dbraw/zinc/37/55/93/1031375593.db2.gz AWMKBKSEOHAYSQ-UHFFFAOYSA-N -1 0 325.817 3.799 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000668304070 1031433047 /nfs/dbraw/zinc/43/30/47/1031433047.db2.gz CHSISMRQVLOZOB-DLBZAZTESA-N -1 0 343.810 3.643 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)no1 ZINC000083577390 1031513819 /nfs/dbraw/zinc/51/38/19/1031513819.db2.gz PWSOAPMCJMMPTN-UHFFFAOYSA-N -1 0 328.802 3.652 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000177120128 1031513859 /nfs/dbraw/zinc/51/38/59/1031513859.db2.gz VMGWCFWZEICPFO-CQSZACIVSA-N -1 0 335.325 3.657 20 0 EHADRM Cc1ccccc1-c1nc(=NC[C@@]2(C)CCO[C@@H]2C2CC2)s[n-]1 ZINC000527962718 1031529093 /nfs/dbraw/zinc/52/90/93/1031529093.db2.gz BOIUEFFAXWEUAN-CRAIPNDOSA-N -1 0 329.469 3.553 20 0 EHADRM Cc1ccc([C@H]2CCCCN2C(=O)N=c2[n-]nc(C3CC3)s2)cc1 ZINC000584046636 1031565836 /nfs/dbraw/zinc/56/58/36/1031565836.db2.gz YGNHIAFNZNUNNQ-OAHLLOKOSA-N -1 0 342.468 3.905 20 0 EHADRM COc1ccsc1CN[C@@H](C(=O)[O-])c1ccc(Cl)c(C)c1 ZINC000904001920 1031588124 /nfs/dbraw/zinc/58/81/24/1031588124.db2.gz JYGZEKOWVHZZTO-CQSZACIVSA-N -1 0 325.817 3.634 20 0 EHADRM C[C@@H](Sc1ccc(NCc2cccc3c2CCOC3)cc1)C(=O)[O-] ZINC000904017155 1031605710 /nfs/dbraw/zinc/60/57/10/1031605710.db2.gz IJPNIIKWLOTKBX-CYBMUJFWSA-N -1 0 343.448 3.937 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2nnc(CC3CCCC3)o2)c(C)c1 ZINC000194900491 1031656253 /nfs/dbraw/zinc/65/62/53/1031656253.db2.gz XNSYWYPJHOQGPI-UHFFFAOYSA-N -1 0 349.456 3.528 20 0 EHADRM CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccccc1COC ZINC000484513194 1031667209 /nfs/dbraw/zinc/66/72/09/1031667209.db2.gz JCOJALGAEFLUCD-UHFFFAOYSA-N -1 0 349.452 3.731 20 0 EHADRM CC(C)n1ccnc1CN[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000904025742 1031670004 /nfs/dbraw/zinc/67/00/04/1031670004.db2.gz JFVRNNJBYFHQAX-CQSZACIVSA-N -1 0 342.226 3.686 20 0 EHADRM CC[C@@H](NCc1ccc(SC(F)F)cc1)c1nc(C(=O)[O-])c[nH]1 ZINC000904066145 1031691880 /nfs/dbraw/zinc/69/18/80/1031691880.db2.gz YUJTYSLCKWTVPH-LLVKDONJSA-N -1 0 341.383 3.664 20 0 EHADRM C[C@H]1CCCc2cc(-c3noc(-c4cccc(F)c4[O-])n3)c(=O)[nH]c21 ZINC000904103735 1031730773 /nfs/dbraw/zinc/73/07/73/1031730773.db2.gz HIPRXQNHCNUBTE-VIFPVBQESA-N -1 0 341.342 3.789 20 0 EHADRM Cc1ccc(-c2[n-][nH]c(=NC(=O)c3scc(C)c3Cl)c2C)o1 ZINC000484584213 1031750436 /nfs/dbraw/zinc/75/04/36/1031750436.db2.gz NSIPVPXZXJUNQO-UHFFFAOYSA-N -1 0 335.816 3.984 20 0 EHADRM O=C([O-])N[C@H]1C[C@H](Nc2ccc(OC3CCC3)c(F)c2)C12CCC2 ZINC000904201225 1031847644 /nfs/dbraw/zinc/84/76/44/1031847644.db2.gz YQIGINARQZHDGC-HOTGVXAUSA-N -1 0 334.391 3.748 20 0 EHADRM Cc1ccc(C)c(NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)c1 ZINC000904199671 1031847798 /nfs/dbraw/zinc/84/77/98/1031847798.db2.gz QYTSGBYPYDJXIG-UHFFFAOYSA-N -1 0 328.412 3.810 20 0 EHADRM C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(Br)c(F)cc1[O-] ZINC000448905000 1031863976 /nfs/dbraw/zinc/86/39/76/1031863976.db2.gz WTGMALMSBKAKEA-RKDXNWHRSA-N -1 0 330.197 3.697 20 0 EHADRM CCc1c([N-]S(=O)(=O)c2ccc(C)c(C)c2)onc1C(F)(F)F ZINC000460585381 1031884220 /nfs/dbraw/zinc/88/42/20/1031884220.db2.gz PSLNPXSSPKLCLV-UHFFFAOYSA-N -1 0 348.346 3.673 20 0 EHADRM COc1cc(/C=C\c2nc3ccccc3o2)ccc1OCCC(=O)[O-] ZINC000460769773 1032017267 /nfs/dbraw/zinc/01/72/67/1032017267.db2.gz KIQBUPMZXPJKBM-CLFYSBASSA-N -1 0 339.347 3.860 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC[C@@H](c2ccncc2)C1 ZINC000574574823 1033303661 /nfs/dbraw/zinc/30/36/61/1033303661.db2.gz JQYRFAAOZWISLV-GFCCVEGCSA-N -1 0 334.778 3.600 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2cc(Cl)c(Cl)cc2F)C1 ZINC000263125087 1033313092 /nfs/dbraw/zinc/31/30/92/1033313092.db2.gz MLOYQFCZBRXFAR-JGVFFNPUSA-N -1 0 349.189 3.707 20 0 EHADRM CCOc1cc(C)ccc1NC(=O)c1c(C)ccc(C)c1C(=O)[O-] ZINC000326620902 1033337041 /nfs/dbraw/zinc/33/70/41/1033337041.db2.gz PTWVJHBFWDZDHJ-UHFFFAOYSA-N -1 0 327.380 3.961 20 0 EHADRM CS[C@H](C)c1nc(-c2cc(F)c([O-])c(Br)c2)no1 ZINC000598685206 1033385000 /nfs/dbraw/zinc/38/50/00/1033385000.db2.gz YIPJJDZWAAEZCY-RXMQYKEDSA-N -1 0 333.182 3.768 20 0 EHADRM Cc1ccc(NC(=O)C2CCC(C(=O)[O-])CC2)cc1C(F)(F)F ZINC000171790352 1033427789 /nfs/dbraw/zinc/42/77/89/1033427789.db2.gz ZNXSJTACTLSILI-UHFFFAOYSA-N -1 0 329.318 3.843 20 0 EHADRM CC(C)Cc1n[n-]c(=NCc2ccc(OC(F)F)c(F)c2)s1 ZINC000537506105 1033511349 /nfs/dbraw/zinc/51/13/49/1033511349.db2.gz GPUCLHYYBLAZET-UHFFFAOYSA-N -1 0 331.363 3.511 20 0 EHADRM CCSc1cccc(F)c1[N-]C(=O)c1cc(C(=O)OC)oc1C ZINC000598846639 1033520723 /nfs/dbraw/zinc/52/07/23/1033520723.db2.gz XNNFUKRPRLEWNL-UHFFFAOYSA-N -1 0 337.372 3.878 20 0 EHADRM Cn1nc(C(F)(F)F)cc1-c1ccc(CSCC(=O)[O-])c(F)c1 ZINC000594872120 1033527888 /nfs/dbraw/zinc/52/78/88/1033527888.db2.gz SLOGMIJYANQJJB-UHFFFAOYSA-N -1 0 348.321 3.563 20 0 EHADRM COc1ccc(-c2ccc([S@@](=O)CCCC(=O)[O-])cc2)c(C)c1 ZINC000594872136 1033528359 /nfs/dbraw/zinc/52/83/59/1033528359.db2.gz WUSFEIOGTMNOAN-QHCPKHFHSA-N -1 0 332.421 3.643 20 0 EHADRM CS[C@H](C)CCC(=O)N=c1ccc(-c2ccc(Cl)s2)n[n-]1 ZINC000598869098 1033540531 /nfs/dbraw/zinc/54/05/31/1033540531.db2.gz NEUGRHCETUZMST-SECBINFHSA-N -1 0 341.889 3.751 20 0 EHADRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cnn(CC3CC3)c2)c(C)c1C ZINC000608343523 1033622589 /nfs/dbraw/zinc/62/25/89/1033622589.db2.gz CWFHDILVLSBRSH-UHFFFAOYSA-N -1 0 347.484 3.636 20 0 EHADRM C[C@H](N=c1[n-]c(-c2ccccc2)no1)c1ccc(-n2cccn2)cc1 ZINC000608368873 1033641851 /nfs/dbraw/zinc/64/18/51/1033641851.db2.gz WYSQLBRMOHUHDU-AWEZNQCLSA-N -1 0 331.379 3.517 20 0 EHADRM Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000608340400 1033645807 /nfs/dbraw/zinc/64/58/07/1033645807.db2.gz SPJLXGSIVSMNOW-FGTMMUONSA-N -1 0 329.440 3.865 20 0 EHADRM C[C@H](CNC(=O)c1c([O-])cc(F)cc1F)Oc1cccc(Cl)c1 ZINC000608474118 1033703573 /nfs/dbraw/zinc/70/35/73/1033703573.db2.gz KQSNTBLYDFDLCB-SECBINFHSA-N -1 0 341.741 3.521 20 0 EHADRM C[C@H](NC(=O)Cc1ccc(O)c(F)c1)c1cccc(N2CCCC2)c1 ZINC000450084700 1033746529 /nfs/dbraw/zinc/74/65/29/1033746529.db2.gz FQYTYOMHPBMOSB-AWEZNQCLSA-N -1 0 342.414 3.551 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)C1 ZINC000533189621 1033759989 /nfs/dbraw/zinc/75/99/89/1033759989.db2.gz LIKJJMCXWJNAQB-GFCCVEGCSA-N -1 0 347.411 3.881 20 0 EHADRM O=C(C/C=C/c1ccc(F)cc1)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000081653749 1033784747 /nfs/dbraw/zinc/78/47/47/1033784747.db2.gz KSCRGIMQXCSUPW-HNQUOIGGSA-N -1 0 339.326 3.623 20 0 EHADRM O=C([N-]c1c(F)cc(F)cc1F)c1cc(F)c([N+](=O)[O-])cc1F ZINC000322553315 1033839134 /nfs/dbraw/zinc/83/91/34/1033839134.db2.gz NBCBBSXSPCQNLF-UHFFFAOYSA-N -1 0 332.184 3.543 20 0 EHADRM C[C@@]1(c2cccc(F)c2)CCN(C(=O)NCc2ccc(O)c(F)c2)C1 ZINC000650900441 1033857224 /nfs/dbraw/zinc/85/72/24/1033857224.db2.gz GEWCNJAQRGLNMR-LJQANCHMSA-N -1 0 346.377 3.544 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCSc2ccccc2)cc1 ZINC000046927453 1033894116 /nfs/dbraw/zinc/89/41/16/1033894116.db2.gz KKHOPMROYBKTGP-UHFFFAOYSA-N -1 0 335.450 3.823 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N(Cc2ccccc2)[C@@H](C)CC)s1 ZINC000599415356 1033928314 /nfs/dbraw/zinc/92/83/14/1033928314.db2.gz BPAUAPINYJSKON-ZDUSSCGKSA-N -1 0 332.473 3.745 20 0 EHADRM Cc1ccc(-c2cc(C(=O)[N-]c3cc([N+](=O)[O-])ccc3F)on2)cc1 ZINC000059742105 1033939735 /nfs/dbraw/zinc/93/97/35/1033939735.db2.gz LJZBIRHORPHTIM-UHFFFAOYSA-N -1 0 341.298 3.950 20 0 EHADRM CCCCCc1nnc([N-]S(=O)(=O)c2cc(C)c(C)s2)s1 ZINC000536896305 1033946002 /nfs/dbraw/zinc/94/60/02/1033946002.db2.gz HSUXSKSSYYFQSL-UHFFFAOYSA-N -1 0 345.515 3.750 20 0 EHADRM COC(=O)CCc1ccc(Nc2ccc(C(=O)[O-])cc2C)cc1F ZINC001211629069 1033954453 /nfs/dbraw/zinc/95/44/53/1033954453.db2.gz WLXCKSVYMVKZPY-UHFFFAOYSA-N -1 0 331.343 3.682 20 0 EHADRM CC(C)c1n[n-]c(=NCc2ccc(COCc3ccccc3)cc2)o1 ZINC000450259556 1033980544 /nfs/dbraw/zinc/98/05/44/1033980544.db2.gz XFLOEFLPUPKKRL-UHFFFAOYSA-N -1 0 337.423 3.944 20 0 EHADRM COc1cc([C@@H](C)N=c2[n-]nc(C(C)C)o2)ccc1OCC(C)C ZINC000450250348 1033990671 /nfs/dbraw/zinc/99/06/71/1033990671.db2.gz JDZZBTYCNMUALH-CYBMUJFWSA-N -1 0 333.432 3.831 20 0 EHADRM CC(C)c1n[n-]c(=N[C@H](C)c2ccc(OCC(F)(F)F)cc2)o1 ZINC000450273582 1033994379 /nfs/dbraw/zinc/99/43/79/1033994379.db2.gz COALZMFVWHATSG-SNVBAGLBSA-N -1 0 329.322 3.729 20 0 EHADRM CCSCc1ccc(NC(=O)NC[C@H](C(=O)[O-])C2CCC2)cc1 ZINC000596066703 1034066273 /nfs/dbraw/zinc/06/62/73/1034066273.db2.gz HJRVYDORXXHJKY-HNNXBMFYSA-N -1 0 336.457 3.562 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)c1 ZINC000460452394 1034127910 /nfs/dbraw/zinc/12/79/10/1034127910.db2.gz DGDXYDUSXCZLPI-UHFFFAOYSA-N -1 0 341.436 3.797 20 0 EHADRM CCCOc1c(Cl)cc(/C=C\c2cc(C(=O)[O-])ncn2)cc1OC ZINC000534144497 1034162917 /nfs/dbraw/zinc/16/29/17/1034162917.db2.gz LERONVAXGORGRN-PLNGDYQASA-N -1 0 348.786 3.796 20 0 EHADRM O=C([O-])c1cc(/C=C/c2cc(Cl)ccc2OC(F)F)ncn1 ZINC000534145426 1034165511 /nfs/dbraw/zinc/16/55/11/1034165511.db2.gz UAOKBABHGMBKQY-HNQUOIGGSA-N -1 0 326.686 3.600 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N2CC[C@H](c3ccccc3)C2)s1 ZINC000476510848 1034172075 /nfs/dbraw/zinc/17/20/75/1034172075.db2.gz KKUSMPYIDQXNTE-HNNXBMFYSA-N -1 0 344.484 3.714 20 0 EHADRM O=S(=O)([N-]c1cccc2ncccc12)c1cc(F)cc(Cl)c1 ZINC000534205267 1034234274 /nfs/dbraw/zinc/23/42/74/1034234274.db2.gz AMWJJZJZWCNJRY-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM O=C(C[C@H]1CCc2ccccc21)N=c1nc(Cc2ccccc2)[n-]s1 ZINC000604284514 1034300974 /nfs/dbraw/zinc/30/09/74/1034300974.db2.gz VPRIWTXEHPXTLN-MRXNPFEDSA-N -1 0 349.459 3.609 20 0 EHADRM CC(C)c1n[n-]c(=NCCOCc2ccc(Cl)cc2Cl)o1 ZINC000450421502 1034306600 /nfs/dbraw/zinc/30/66/00/1034306600.db2.gz FENGEUJTBDLLMX-UHFFFAOYSA-N -1 0 330.215 3.550 20 0 EHADRM CC[C@H](NC(=O)C(C#N)=C([O-])c1ccc(F)c(C)c1)c1ccccc1 ZINC000191771738 1034358261 /nfs/dbraw/zinc/35/82/61/1034358261.db2.gz ZPAIYUVGWYTFRO-WMZOPIPTSA-N -1 0 338.382 3.724 20 0 EHADRM CCCOc1cc(C)ccc1CNC(=O)c1cc(C(=O)[O-])c(CC)o1 ZINC000450536415 1034511355 /nfs/dbraw/zinc/51/13/55/1034511355.db2.gz ASRJSLHOPKSRID-UHFFFAOYSA-N -1 0 345.395 3.567 20 0 EHADRM CC1(C)CN(C(=O)C2CCC(C(=O)[O-])CC2)C[C@@H]1c1ccccc1 ZINC000450538824 1034512831 /nfs/dbraw/zinc/51/28/31/1034512831.db2.gz HPMPGSQOZHTJIE-OFLPRAFFSA-N -1 0 329.440 3.530 20 0 EHADRM FC(F)(F)C[C@@H]1CCCC[C@@H]1N=c1[n-]nc(C2CCOCC2)s1 ZINC000450659908 1034652094 /nfs/dbraw/zinc/65/20/94/1034652094.db2.gz JJWOBULEUXLPEI-RYUDHWBXSA-N -1 0 349.422 3.777 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2nc3ccsc3s2)s1 ZINC000605257719 1034670701 /nfs/dbraw/zinc/67/07/01/1034670701.db2.gz HWYCGXKNFFCFFL-UHFFFAOYSA-N -1 0 330.481 3.783 20 0 EHADRM CC(C)(C)[C@H]1OCCC[C@H]1CN=c1[n-]nc(-c2ccccc2)s1 ZINC000605315841 1034707062 /nfs/dbraw/zinc/70/70/62/1034707062.db2.gz SNJWVSXNKYNYOW-GJZGRUSLSA-N -1 0 331.485 3.880 20 0 EHADRM FC1(F)CC(CSc2n[n-]c(=NCCc3cccs3)s2)C1 ZINC000450754578 1034776786 /nfs/dbraw/zinc/77/67/86/1034776786.db2.gz JNMQJHKRIJIKAL-UHFFFAOYSA-N -1 0 347.481 3.814 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])cc1Cl ZINC000601983603 1034847724 /nfs/dbraw/zinc/84/77/24/1034847724.db2.gz GUPSCXFKKRZITQ-ZJUUUORDSA-N -1 0 345.848 3.661 20 0 EHADRM O=c1[n-]nc([C@@H]2CCC[N@@H+](CCc3c(Cl)cccc3Cl)C2)o1 ZINC000450912537 1034933808 /nfs/dbraw/zinc/93/38/08/1034933808.db2.gz XQPFEDHYUNLTOM-SNVBAGLBSA-N -1 0 342.226 3.504 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)s1 ZINC000450968438 1034995818 /nfs/dbraw/zinc/99/58/18/1034995818.db2.gz KEKKEWCJRUCMLR-UHFFFAOYSA-N -1 0 336.482 3.766 20 0 EHADRM CC(C)(C(=O)[N-]OCc1cccnc1C(F)(F)F)c1ccccc1 ZINC000530160163 1035030153 /nfs/dbraw/zinc/03/01/53/1035030153.db2.gz LQGYIVAWIWMRNW-UHFFFAOYSA-N -1 0 338.329 3.626 20 0 EHADRM CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3sccc3F)cc2O1 ZINC000451040515 1035040410 /nfs/dbraw/zinc/04/04/10/1035040410.db2.gz KQVHXYUNKNFJKG-AWEZNQCLSA-N -1 0 343.401 3.585 20 0 EHADRM C[C@@H]1CC(F)(F)CCN1Cc1ccc(C(=O)[O-])cc1Br ZINC000530172306 1035043699 /nfs/dbraw/zinc/04/36/99/1035043699.db2.gz GKHYOSKBTWOFKA-SECBINFHSA-N -1 0 348.187 3.767 20 0 EHADRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccnn1C1CCCC1 ZINC000066248884 1035327091 /nfs/dbraw/zinc/32/70/91/1035327091.db2.gz NQQUXRFDRYHUQP-UHFFFAOYSA-N -1 0 339.848 3.761 20 0 EHADRM COc1ccccc1[C@H](CN=c1[n-]nc(C(C)(C)C)s1)OC(C)C ZINC000472477843 1035327639 /nfs/dbraw/zinc/32/76/39/1035327639.db2.gz NPYYTLVFFICGDU-HNNXBMFYSA-N -1 0 349.500 3.844 20 0 EHADRM Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@H]1CCC[C@H]1C(C)(C)C ZINC000413999858 1035341290 /nfs/dbraw/zinc/34/12/90/1035341290.db2.gz YYXIMGAGXFRTPM-OLZOCXBDSA-N -1 0 333.476 3.733 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)NCc2ccc([C@@H]3C[C@@H]3C)o2)s1 ZINC000613001785 1035347055 /nfs/dbraw/zinc/34/70/55/1035347055.db2.gz YWZQZZHMGOSSFZ-GXFFZTMASA-N -1 0 348.472 3.902 20 0 EHADRM CCOC1(C(=O)Nc2cc(Br)cc(Cl)c2[O-])CCC1 ZINC000613113298 1035408057 /nfs/dbraw/zinc/40/80/57/1035408057.db2.gz PSUJRYVHGZMZAF-UHFFFAOYSA-N -1 0 348.624 3.706 20 0 EHADRM CC/C=C/CNC(=O)C[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000414081449 1035459810 /nfs/dbraw/zinc/45/98/10/1035459810.db2.gz BKEAOAAKELSMKY-DWTRPJMMSA-N -1 0 344.238 3.808 20 0 EHADRM Cc1ccc(Br)cc1C[S@](=O)[C@@H](CC(C)C)C(=O)[O-] ZINC000571498869 1035510408 /nfs/dbraw/zinc/51/04/08/1035510408.db2.gz ZLZWHNICFUSFFQ-DJJJIMSYSA-N -1 0 347.274 3.506 20 0 EHADRM COc1cccc([C@H](C)CC(=O)N[C@@H](CC(=O)[O-])C2CCCCC2)c1 ZINC000540703553 1035583568 /nfs/dbraw/zinc/58/35/68/1035583568.db2.gz GGISOFRRBJGKKC-KDOFPFPSSA-N -1 0 347.455 3.729 20 0 EHADRM Cc1ccc(S(=O)(=O)C(=C([O-])c2ccccc2)C(C)C)cc1C ZINC000492315906 1035603249 /nfs/dbraw/zinc/60/32/49/1035603249.db2.gz ZRDNPUYLWPOGRW-IBGZPJMESA-N -1 0 330.449 3.985 20 0 EHADRM Cc1cccc(CS(=O)(=O)[N-]c2nc(-c3ccco3)cs2)c1 ZINC000186574856 1035659281 /nfs/dbraw/zinc/65/92/81/1035659281.db2.gz KKUYASSBPTYCSG-UHFFFAOYSA-N -1 0 334.422 3.653 20 0 EHADRM Cc1ccc([C@H]2CCCCN2C(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC000540773739 1035668890 /nfs/dbraw/zinc/66/88/90/1035668890.db2.gz BDRHNUMXUUMOMN-LJQANCHMSA-N -1 0 337.419 3.990 20 0 EHADRM CC[C@@H](c1n[n-]c(=NCc2cccc3c[nH]nc32)s1)c1ccccc1 ZINC000540790955 1035685709 /nfs/dbraw/zinc/68/57/09/1035685709.db2.gz AVZWXFFWVNOSGC-MRXNPFEDSA-N -1 0 349.463 3.990 20 0 EHADRM O=C([O-])c1cc(/C=C/c2ccc(Br)cc2Cl)ncn1 ZINC000534880815 1035739644 /nfs/dbraw/zinc/73/96/44/1035739644.db2.gz MKZSZAGNCUVUTD-DUXPYHPUSA-N -1 0 339.576 3.761 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)N(C)CC2CCCCC2)cc1 ZINC000463692250 1035745567 /nfs/dbraw/zinc/74/55/67/1035745567.db2.gz WQZBPRMDSATISQ-HSZRJFAPSA-N -1 0 335.513 3.956 20 0 EHADRM CO[C@H](c1ccccc1Cl)[C@@H](C)N=c1nc(C(C)C)[n-]s1 ZINC000540869575 1035749306 /nfs/dbraw/zinc/74/93/06/1035749306.db2.gz WYVBHCRNMJTGSE-MFKMUULPSA-N -1 0 325.865 3.925 20 0 EHADRM O=C(Nc1cc(Br)cc(Cl)c1[O-])[C@@H]1C[C@@H]1C1CC1 ZINC000534940680 1035812450 /nfs/dbraw/zinc/81/24/50/1035812450.db2.gz SERZQGNPZXFWOR-RKDXNWHRSA-N -1 0 330.609 3.793 20 0 EHADRM CCCOc1ccc(S(=O)(=O)[N-]c2scnc2C2CC2)cc1 ZINC000534971183 1035845382 /nfs/dbraw/zinc/84/53/82/1035845382.db2.gz ALEVUAHUXQZXAA-UHFFFAOYSA-N -1 0 338.454 3.610 20 0 EHADRM CSc1ccc(O)c(C(=O)N2CC[C@@H](Oc3cccc(F)c3)C2)c1 ZINC000613457887 1035952439 /nfs/dbraw/zinc/95/24/39/1035952439.db2.gz DRXZSUDVUFESKR-CQSZACIVSA-N -1 0 347.411 3.547 20 0 EHADRM CO[C@@H](C)CSc1n[n-]c(=Nc2cccc(Cl)c2C)s1 ZINC000541074302 1035956425 /nfs/dbraw/zinc/95/64/25/1035956425.db2.gz RHJHTOYCGVDVIL-QMMMGPOBSA-N -1 0 329.878 3.792 20 0 EHADRM Cc1nc(CC(C)C)c(C(=O)Nc2ccc(F)c(F)c2[O-])s1 ZINC000457300215 1035956657 /nfs/dbraw/zinc/95/66/57/1035956657.db2.gz UUTZXUTWVNEKMI-UHFFFAOYSA-N -1 0 326.368 3.886 20 0 EHADRM C[C@@H]1CN(C(=O)N=c2ccc(-c3ccccc3)n[n-]2)[C@@H]2CCCC[C@@H]21 ZINC000541092528 1035976694 /nfs/dbraw/zinc/97/66/94/1035976694.db2.gz NEEPACDTMYRFPA-QGPMSJSTSA-N -1 0 336.439 3.608 20 0 EHADRM C[C@H]1CCC[N@H+](CCOc2c(Cl)cccc2Cl)[C@H]1C(=O)[O-] ZINC000300293750 1036005816 /nfs/dbraw/zinc/00/58/16/1036005816.db2.gz HDFYOIVCIZPYCM-GXFFZTMASA-N -1 0 332.227 3.557 20 0 EHADRM O=c1nc(Cc2ccc(F)cc2)[n-]c2c(-c3ccccc3)nsc21 ZINC000541161718 1036040228 /nfs/dbraw/zinc/04/02/28/1036040228.db2.gz ZKNHUOUJUDUKQY-UHFFFAOYSA-N -1 0 337.379 3.777 20 0 EHADRM CC(C)Oc1c(F)cc([N-]S(=O)(=O)c2ccccc2F)cc1F ZINC000541306637 1036177718 /nfs/dbraw/zinc/17/77/18/1036177718.db2.gz PBOOWUBKZHATDL-UHFFFAOYSA-N -1 0 345.342 3.692 20 0 EHADRM CN(Cc1cccnc1)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000175179766 1036243958 /nfs/dbraw/zinc/24/39/58/1036243958.db2.gz ADBIKYCSJUAGCE-UHFFFAOYSA-N -1 0 326.783 3.866 20 0 EHADRM CC(=O)Nc1ccc(/C=C\C(=O)Nc2cc(Cl)c([O-])cc2F)cc1 ZINC000492798804 1036315006 /nfs/dbraw/zinc/31/50/06/1036315006.db2.gz LGZXOMUTTFWEHK-DAXSKMNVSA-N -1 0 348.761 3.795 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccnn2[C@H](C)CC(C)C)cc1 ZINC000589270636 1036334536 /nfs/dbraw/zinc/33/45/36/1036334536.db2.gz GPKHNZPZMCBJJJ-CQSZACIVSA-N -1 0 335.473 3.853 20 0 EHADRM O=C(/C=C/c1ccc2c(c1)OCCO2)Nc1cc(Cl)c([O-])cc1F ZINC000492919123 1036391663 /nfs/dbraw/zinc/39/16/63/1036391663.db2.gz GXFXZVKJBGSPTI-DUXPYHPUSA-N -1 0 349.745 3.608 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)N(c2ccccc2)c2ccccc2)C1 ZINC000263145558 1036393430 /nfs/dbraw/zinc/39/34/30/1036393430.db2.gz HCDKRWQPUKZIHI-HOTGVXAUSA-N -1 0 338.407 3.987 20 0 EHADRM Cc1nc(=NC(=O)c2ccc(Oc3cccc(Cl)c3)cc2)s[n-]1 ZINC000464416704 1036420911 /nfs/dbraw/zinc/42/09/11/1036420911.db2.gz DKDZYMFVQSRJCM-UHFFFAOYSA-N -1 0 345.811 3.966 20 0 EHADRM C[C@H](CC(=O)[O-])N(C)C(=O)CCCSc1ccc(Cl)cc1 ZINC000572736912 1036475455 /nfs/dbraw/zinc/47/54/55/1036475455.db2.gz IZKXGKBJOAEWEQ-LLVKDONJSA-N -1 0 329.849 3.534 20 0 EHADRM Cc1cc(NC(=O)Nc2ccc(O)c(Cl)c2)n(-c2ccccn2)n1 ZINC000192184507 1036484627 /nfs/dbraw/zinc/48/46/27/1036484627.db2.gz BBMZJJLNVVZYLP-UHFFFAOYSA-N -1 0 343.774 3.579 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cnc(C(F)(F)F)cc2C)c1 ZINC000685902494 1036506107 /nfs/dbraw/zinc/50/61/07/1036506107.db2.gz VTWVVYGNUMUJAC-UHFFFAOYSA-N -1 0 344.358 3.826 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)N[C@H]1CCC(C)(C)c2ccccc21)C1CCC1 ZINC000572821295 1036508155 /nfs/dbraw/zinc/50/81/55/1036508155.db2.gz VBAAMXKXCPESCN-DYVFJYSZSA-N -1 0 344.455 3.836 20 0 EHADRM O=S(=O)(Cc1cccc(Cl)c1)[N-]c1cc(-c2ccccc2)on1 ZINC000572878970 1036541214 /nfs/dbraw/zinc/54/12/14/1036541214.db2.gz KWJZWPUVKLXOKI-UHFFFAOYSA-N -1 0 348.811 3.937 20 0 EHADRM Cc1ccc(Cl)c(NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000653540509 1036589874 /nfs/dbraw/zinc/58/98/74/1036589874.db2.gz KKGZQERPJFGCQI-SDDRHHMPSA-N -1 0 338.835 3.905 20 0 EHADRM O=C(Nc1cc(Cl)cc(Br)c1[O-])[C@H]1C[C@@H]1C1CC1 ZINC000176253940 1036590767 /nfs/dbraw/zinc/59/07/67/1036590767.db2.gz YLUSAMVIOYSIEC-BDAKNGLRSA-N -1 0 330.609 3.793 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H]1C(=O)Nc1ccccc1SCC(F)(F)F ZINC000391199061 1036598131 /nfs/dbraw/zinc/59/81/31/1036598131.db2.gz PETAILYGMSWMES-UWVGGRQHSA-N -1 0 347.358 3.780 20 0 EHADRM COc1cccc(Cc2n[n-]c(=NCc3ccc(C4CC4)cc3)o2)c1 ZINC000414311835 1036603621 /nfs/dbraw/zinc/60/36/21/1036603621.db2.gz VOMZXGJPBMSZHX-UHFFFAOYSA-N -1 0 335.407 3.580 20 0 EHADRM Cc1cc(=NC(=O)N2CCCC[C@@H]2CCc2ccccc2)[n-]nc1C ZINC000541736610 1036604105 /nfs/dbraw/zinc/60/41/05/1036604105.db2.gz MBFZGKMKADAZOT-GOSISDBHSA-N -1 0 338.455 3.535 20 0 EHADRM CC(C)(CCCc1ccccc1)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000263207143 1036630988 /nfs/dbraw/zinc/63/09/88/1036630988.db2.gz KWXMTIHQCIFNMC-HXUWFJFHSA-N -1 0 331.456 3.749 20 0 EHADRM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000176524986 1036636584 /nfs/dbraw/zinc/63/65/84/1036636584.db2.gz GAARPVDHGHPOKJ-QAPCUYQASA-N -1 0 347.418 3.596 20 0 EHADRM CCC[C@@H](CNC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000263216658 1036638796 /nfs/dbraw/zinc/63/87/96/1036638796.db2.gz PSINUTKWRNRGHR-YPMHNXCESA-N -1 0 345.361 3.816 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(c2ccnc3c(Br)cccc23)C1 ZINC000580051248 1036640185 /nfs/dbraw/zinc/64/01/85/1036640185.db2.gz WAQAXBTTWHFXRF-NSHDSACASA-N -1 0 349.228 3.688 20 0 EHADRM Cc1ccc(SCCC(=O)N=c2nc(C(C)(C)C)[n-]s2)cc1 ZINC000589936832 1036666452 /nfs/dbraw/zinc/66/64/52/1036666452.db2.gz ZKLCUWSVFPSOSQ-UHFFFAOYSA-N -1 0 335.498 3.687 20 0 EHADRM Cc1n[n-]c(=NC(=O)N[C@H](C)c2ccc(Cl)c3ccccc32)s1 ZINC000462249933 1036737803 /nfs/dbraw/zinc/73/78/03/1036737803.db2.gz XRCDBLMNMPFFGI-SECBINFHSA-N -1 0 346.843 3.958 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)N[C@H](CC(=O)[O-])c1ccccc1C ZINC000263352000 1036802915 /nfs/dbraw/zinc/80/29/15/1036802915.db2.gz VVFXVOHZDZNJSO-QZTJIDSGSA-N -1 0 347.455 3.755 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H](c2ccccc2)c2cccc(F)c2)C1 ZINC000263359176 1036820285 /nfs/dbraw/zinc/82/02/85/1036820285.db2.gz XXBVKKSLDVKUEC-LZLYRXPVSA-N -1 0 341.382 3.532 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H](c2ccccc2)c2cccc(F)c2)C1 ZINC000263359175 1036821093 /nfs/dbraw/zinc/82/10/93/1036821093.db2.gz XXBVKKSLDVKUEC-JZXOWHBKSA-N -1 0 341.382 3.532 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2SCCc3sccc32)c1 ZINC000263364088 1036821417 /nfs/dbraw/zinc/82/14/17/1036821417.db2.gz ZGBGSCVPOHVYBH-MEBBXXQBSA-N -1 0 347.461 3.905 20 0 EHADRM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)C(C)(C)c1ccccc1 ZINC000590299278 1036826761 /nfs/dbraw/zinc/82/67/61/1036826761.db2.gz LKWAEODRIJRPSQ-LBPRGKRZSA-N -1 0 339.407 3.609 20 0 EHADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)Nc2cc(C)ccc2C)cc1 ZINC000237665409 1036849045 /nfs/dbraw/zinc/84/90/45/1036849045.db2.gz ARDMGYSCUXRIBC-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM CC[C@@H](CC(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-])c1ccc(OC)cc1 ZINC000263396935 1036855969 /nfs/dbraw/zinc/85/59/69/1036855969.db2.gz DPZGLNQSDGBFCC-QGTPRVQTSA-N -1 0 347.455 3.729 20 0 EHADRM C[C@@H]1CC[C@H](CCC(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)O1 ZINC000263406777 1036870292 /nfs/dbraw/zinc/87/02/92/1036870292.db2.gz KWXNMAIYKGTQSM-HYVNUMGLSA-N -1 0 339.476 3.654 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@]2(C)C(=O)[O-])sc1-c1ccc(F)cc1 ZINC000263412043 1036878663 /nfs/dbraw/zinc/87/86/63/1036878663.db2.gz HDVSVLDKPYZGJI-GOSISDBHSA-N -1 0 347.411 3.942 20 0 EHADRM C[C@H](CN=c1nc(-c2ccccc2)[n-]s1)COCc1ccccc1 ZINC000462372937 1036885490 /nfs/dbraw/zinc/88/54/90/1036885490.db2.gz LIHBNWKVWANZOL-OAHLLOKOSA-N -1 0 339.464 3.892 20 0 EHADRM Cc1nn(C)c(Cl)c1/C=C\C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000493199878 1036897885 /nfs/dbraw/zinc/89/78/85/1036897885.db2.gz DFNJZVAZFZCBGQ-ARJAWSKDSA-N -1 0 344.173 3.532 20 0 EHADRM Fc1cc(-c2ccccc2)ccc1CN=c1[n-]nc(-c2ccncc2)o1 ZINC000462391682 1036911355 /nfs/dbraw/zinc/91/13/55/1036911355.db2.gz DKVHHNVPPRMUSU-UHFFFAOYSA-N -1 0 346.365 3.972 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)COc1ccc(Cl)cc1Cl ZINC000539572471 1036932205 /nfs/dbraw/zinc/93/22/05/1036932205.db2.gz FONHWXXNQNREPW-UHFFFAOYSA-N -1 0 348.226 3.522 20 0 EHADRM CCCS(=O)(=O)[N-]c1nc(-c2ccc(OC)cc2)c(CC)s1 ZINC000539597515 1036949036 /nfs/dbraw/zinc/94/90/36/1036949036.db2.gz SIZPWJODGFGGER-UHFFFAOYSA-N -1 0 340.470 3.533 20 0 EHADRM CCOC(=O)c1csc(=N[C@@H](C)c2ccccc2OC(C)C)[n-]1 ZINC000590685743 1036985156 /nfs/dbraw/zinc/98/51/56/1036985156.db2.gz FJRMSYAKGSGJQJ-LBPRGKRZSA-N -1 0 334.441 3.702 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cn2)c1 ZINC000178188533 1037006053 /nfs/dbraw/zinc/00/60/53/1037006053.db2.gz AIGUHQGCKBHQEF-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CN(CCC(=O)[O-])C(=O)Nc1ccc(CCCc2ccccc2)cc1 ZINC000263501047 1037015393 /nfs/dbraw/zinc/01/53/93/1037015393.db2.gz SWXHISCSBJZWJD-UHFFFAOYSA-N -1 0 340.423 3.800 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)N(C)C[C@H](C)C(=O)[O-])cc2)cc1 ZINC000263508133 1037021262 /nfs/dbraw/zinc/02/12/62/1037021262.db2.gz WMZNFOJHFRXFRC-AWEZNQCLSA-N -1 0 342.395 3.972 20 0 EHADRM C[C@@H](NC(=O)[C@@]1(C(=O)[O-])CC=CCC1)c1cccc(Cl)c1Cl ZINC000653282934 1037054011 /nfs/dbraw/zinc/05/40/11/1037054011.db2.gz OQOAWDOEKZWIRY-QLJPJBMISA-N -1 0 342.222 3.982 20 0 EHADRM CCCCc1n[n-]c(=NCc2cc(Br)ccc2Cl)o1 ZINC000539692371 1037082990 /nfs/dbraw/zinc/08/29/90/1037082990.db2.gz SZGISLDKSOFKJJ-UHFFFAOYSA-N -1 0 344.640 3.862 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCCN(c2ccccc2F)CC1 ZINC000376472611 1037093615 /nfs/dbraw/zinc/09/36/15/1037093615.db2.gz DUWIZPWQILJYEQ-UHFFFAOYSA-N -1 0 348.805 3.537 20 0 EHADRM Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC000414377630 1037125343 /nfs/dbraw/zinc/12/53/43/1037125343.db2.gz BPDUYNMBEFKQFF-UHFFFAOYSA-N -1 0 326.805 3.623 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2sc(CC(C)C)nc2C)c1 ZINC000539749232 1037148942 /nfs/dbraw/zinc/14/89/42/1037148942.db2.gz UVAVXUHTNAGJTI-UHFFFAOYSA-N -1 0 332.425 3.811 20 0 EHADRM C[C@H]1CCN(C(=O)c2cccc(Nc3ccccc3)c2)C[C@H]1C(=O)[O-] ZINC000573001730 1037153105 /nfs/dbraw/zinc/15/31/05/1037153105.db2.gz WVWNMUMNLJXWEK-KBXCAEBGSA-N -1 0 338.407 3.613 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cnc(C(C)(C)C)nc1 ZINC000414383491 1037177269 /nfs/dbraw/zinc/17/72/69/1037177269.db2.gz RXAVEYJBXKNDGL-UHFFFAOYSA-N -1 0 339.848 3.537 20 0 EHADRM CC(C)[C@@H](C)CNC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666530077 1037190053 /nfs/dbraw/zinc/19/00/53/1037190053.db2.gz XCUODEHPVWJFTM-AWEZNQCLSA-N -1 0 332.444 3.566 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CCOc2cccc(Cl)c2)c1 ZINC000539782608 1037193915 /nfs/dbraw/zinc/19/39/15/1037193915.db2.gz VIWZOPKORHAPTP-UHFFFAOYSA-N -1 0 333.771 3.656 20 0 EHADRM C[C@H](CCC1CC1)NC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666542968 1037200505 /nfs/dbraw/zinc/20/05/05/1037200505.db2.gz QKMDAPPUEULGTI-CQSZACIVSA-N -1 0 344.455 3.853 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)C[C@@H](C)c1ccccc1C(F)(F)F ZINC000089288430 1037235880 /nfs/dbraw/zinc/23/58/80/1037235880.db2.gz JOMXQYTVRQYXRZ-SNVBAGLBSA-N -1 0 335.347 3.671 20 0 EHADRM O=S(=O)([N-]c1cccc(Cl)n1)c1cccc(C(F)(F)F)c1 ZINC000162273813 1037255100 /nfs/dbraw/zinc/25/51/00/1037255100.db2.gz ULICNMKMXDXUSF-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)c1cc(-c2ccccc2)ccc1Cl ZINC000089288190 1037259293 /nfs/dbraw/zinc/25/92/93/1037259293.db2.gz YZGXFJPOIXGCQO-UHFFFAOYSA-N -1 0 335.812 3.827 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)C2[C@H]3CCCCCC[C@H]23)cc1 ZINC000659118081 1037289360 /nfs/dbraw/zinc/28/93/60/1037289360.db2.gz TWBGOWPSXMJMKW-ULQDDVLXSA-N -1 0 345.439 3.544 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000659118997 1037289546 /nfs/dbraw/zinc/28/95/46/1037289546.db2.gz BCOURQFPNWIHNI-GDBMZVCRSA-N -1 0 327.380 3.742 20 0 EHADRM CCC[C@@H]1CCC[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)cc1 ZINC000659118137 1037290092 /nfs/dbraw/zinc/29/00/92/1037290092.db2.gz VAYHXNMTXJEVPI-XYPHTWIQSA-N -1 0 333.428 3.544 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1cc(C(=O)[O-])oc1C ZINC000659120934 1037309328 /nfs/dbraw/zinc/30/93/28/1037309328.db2.gz ZQZVTYUCIUAXFX-ZDUSSCGKSA-N -1 0 331.368 3.631 20 0 EHADRM CN(Cc1csc2ccccc12)C(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC000659120232 1037310907 /nfs/dbraw/zinc/31/09/07/1037310907.db2.gz NUWQRDVOBRMNBA-UHFFFAOYSA-N -1 0 343.448 3.895 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000659123169 1037322090 /nfs/dbraw/zinc/32/20/90/1037322090.db2.gz USNZPTUZTYTALV-SNVBAGLBSA-N -1 0 335.787 3.643 20 0 EHADRM O=C([O-])CCN(CC1CC1)C(=O)c1cc(Cl)cc2ccccc21 ZINC000659124371 1037326938 /nfs/dbraw/zinc/32/69/38/1037326938.db2.gz PTPKWIVOGUMZAI-UHFFFAOYSA-N -1 0 331.799 3.820 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@@H]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000659143121 1037363078 /nfs/dbraw/zinc/36/30/78/1037363078.db2.gz NJFMKAFSEXMSBX-IEBWSBKVSA-N -1 0 337.419 3.911 20 0 EHADRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)Nc3ccc(F)cc3C)n2)c1 ZINC000539931961 1037369506 /nfs/dbraw/zinc/36/95/06/1037369506.db2.gz PUHGGDDMHDIWJU-UHFFFAOYSA-N -1 0 343.333 3.725 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)[C@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000659144217 1037370346 /nfs/dbraw/zinc/37/03/46/1037370346.db2.gz TZMLMVNPCHQOBH-OALUTQOASA-N -1 0 343.467 3.749 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C2CC3(C2)CCCCC3)C[C@H]1c1ccccc1 ZINC000659149875 1037372744 /nfs/dbraw/zinc/37/27/44/1037372744.db2.gz LGAGGNRVVWQELV-ZWKOTPCHSA-N -1 0 341.451 3.674 20 0 EHADRM O=C(c1ccc(O)c(F)c1)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000628410407 1037389643 /nfs/dbraw/zinc/38/96/43/1037389643.db2.gz KWJHETYICVYYGE-CYBMUJFWSA-N -1 0 335.325 3.829 20 0 EHADRM Cc1cccc(C)c1[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])c(C)n1 ZINC000659165736 1037396730 /nfs/dbraw/zinc/39/67/30/1037396730.db2.gz DDWDEVKANDDVCD-QGZVFWFLSA-N -1 0 338.407 3.682 20 0 EHADRM CCCN(C[C@@H]1CCCCO1)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000177152297 1037401869 /nfs/dbraw/zinc/40/18/69/1037401869.db2.gz AHVSINMXQMUXOA-LBPRGKRZSA-N -1 0 329.799 3.606 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2cc(C)ccc2C2CC2)n1 ZINC000659182476 1037433163 /nfs/dbraw/zinc/43/31/63/1037433163.db2.gz JVBVDRHHJCBWOG-INIZCTEOSA-N -1 0 341.411 3.747 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc3ccccc3c2)[C@@H]2CCCC[C@@H]12 ZINC000659196807 1037454053 /nfs/dbraw/zinc/45/40/53/1037454053.db2.gz XYEMLEFAUMHPMM-IPMKNSEASA-N -1 0 337.419 3.945 20 0 EHADRM Cc1ccc(CCCC(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)cc1 ZINC000659196223 1037456499 /nfs/dbraw/zinc/45/64/99/1037456499.db2.gz UDIBJZWLVBMUCH-CEXWTWQISA-N -1 0 343.467 3.810 20 0 EHADRM CC(=O)c1ccc(-c2cnc(OCC3CC3)c(C(=O)[O-])c2)c(F)c1 ZINC000573386776 1037502628 /nfs/dbraw/zinc/50/26/28/1037502628.db2.gz OEESIKUTFMRLRH-UHFFFAOYSA-N -1 0 329.327 3.577 20 0 EHADRM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cnn([C@@H](C)C2CC2)c1 ZINC000187745408 1037504466 /nfs/dbraw/zinc/50/44/66/1037504466.db2.gz GXVQQLZBJFNFNG-NSHDSACASA-N -1 0 339.848 3.617 20 0 EHADRM Cc1ccc(NC(=O)c2nn(-c3cc(C)ccc3F)cc2[O-])c(F)c1 ZINC000540066892 1037517892 /nfs/dbraw/zinc/51/78/92/1037517892.db2.gz WCFBYNKREPECMH-UHFFFAOYSA-N -1 0 343.333 3.725 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)c2cc(-c3ccc(C)cc3)no2)s1 ZINC000491551699 1037552976 /nfs/dbraw/zinc/55/29/76/1037552976.db2.gz YZSOHDHYRPYWBE-UHFFFAOYSA-N -1 0 342.424 3.518 20 0 EHADRM C[C@]1(Cc2cccc3ccccc32)CCCN1C(=O)CCC(=O)[O-] ZINC000659232556 1037557223 /nfs/dbraw/zinc/55/72/23/1037557223.db2.gz LTQUPCNIEBBDTL-HXUWFJFHSA-N -1 0 325.408 3.628 20 0 EHADRM CC1(C)CCC(CNC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)CC1 ZINC000760870592 1037557974 /nfs/dbraw/zinc/55/79/74/1037557974.db2.gz TZORZEADUDSZAI-UHFFFAOYSA-N -1 0 345.468 3.570 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nnc(-c3cc(C)cc(C)c3)s2)o1 ZINC000540210747 1037713493 /nfs/dbraw/zinc/71/34/93/1037713493.db2.gz GODFYJYENSHMIU-UHFFFAOYSA-N -1 0 349.437 3.524 20 0 EHADRM CCC[C@@](C)(NC(=O)c1ccc(C2SCCS2)cc1)C(=O)[O-] ZINC000262174382 1037753692 /nfs/dbraw/zinc/75/36/92/1037753692.db2.gz FLWNIPSDZVFHNY-MRXNPFEDSA-N -1 0 339.482 3.538 20 0 EHADRM CC(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000592003184 1037783039 /nfs/dbraw/zinc/78/30/39/1037783039.db2.gz JCWVACWPKWFBBL-CYBMUJFWSA-N -1 0 347.436 3.598 20 0 EHADRM CC(C)(CC(=O)Nc1ccccc1N1CCc2ccccc21)C(=O)[O-] ZINC000584552733 1037840972 /nfs/dbraw/zinc/84/09/72/1037840972.db2.gz PNYWGSRQVQCLEQ-UHFFFAOYSA-N -1 0 338.407 3.820 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N[C@H](C)CCCC(F)(F)F)s1 ZINC000494174702 1037882896 /nfs/dbraw/zinc/88/28/96/1037882896.db2.gz BLNZLRRHZUHDBT-SECBINFHSA-N -1 0 338.399 3.545 20 0 EHADRM COc1cc(C)ccc1-c1noc(C(=O)[N-]c2c(F)cccc2F)n1 ZINC001212171199 1037929603 /nfs/dbraw/zinc/92/96/03/1037929603.db2.gz QHUIFFRWJJJEGM-UHFFFAOYSA-N -1 0 345.305 3.584 20 0 EHADRM CCOc1cccc(C(=O)/C=C/c2cccc(O[C@@H](C)C(=O)[O-])c2)c1 ZINC000058465130 1037939059 /nfs/dbraw/zinc/93/90/59/1037939059.db2.gz XVWQVXMVEZXPPT-VNDWYCCKSA-N -1 0 340.375 3.833 20 0 EHADRM Cc1cccc([C@H](C)Sc2n[n-]c(=NC[C@H]3CCCO3)s2)c1 ZINC000463261532 1037945017 /nfs/dbraw/zinc/94/50/17/1037945017.db2.gz UYSKPTPZWKPYRK-GXTWGEPZSA-N -1 0 335.498 3.713 20 0 EHADRM O=C(NCC1(c2ccccc2)CC1)c1cccc(Br)c1[O-] ZINC000592449667 1037986000 /nfs/dbraw/zinc/98/60/00/1037986000.db2.gz BNMINHQJJKIHCS-UHFFFAOYSA-N -1 0 346.224 3.616 20 0 EHADRM CSc1ccc(C)c([N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000540499265 1038019727 /nfs/dbraw/zinc/01/97/27/1038019727.db2.gz XIRANFSNXHWDIV-UHFFFAOYSA-N -1 0 329.393 3.796 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)[N-]S(=O)(=O)[C@H](C)C(F)(F)F ZINC000184264660 1038020744 /nfs/dbraw/zinc/02/07/44/1038020744.db2.gz UNIAONLGIJMTJJ-VHSXEESVSA-N -1 0 335.347 3.672 20 0 EHADRM Cn1cnc2cc(/C=C\c3ccc4cc(C(=O)[O-])ccc4n3)ccc21 ZINC000463342815 1038048930 /nfs/dbraw/zinc/04/89/30/1038048930.db2.gz FQBGEBPJHVTADZ-KXFIGUGUSA-N -1 0 329.359 3.990 20 0 EHADRM COc1ccc(/C=C\C(=O)Nc2cccc(CC(=O)[O-])c2)cc1Cl ZINC000492199041 1038093157 /nfs/dbraw/zinc/09/31/57/1038093157.db2.gz QISHGGOEMLVDAJ-VURMDHGXSA-N -1 0 345.782 3.628 20 0 EHADRM O=S(=O)([N-]c1cccc2cccnc21)c1ccc(F)c(Cl)c1 ZINC000006416287 1038241869 /nfs/dbraw/zinc/24/18/69/1038241869.db2.gz NPVIZMVKXHAAAD-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM COc1c(F)cc(NC(=O)CCCc2ccc(O)c(F)c2)cc1F ZINC000468651089 1038243719 /nfs/dbraw/zinc/24/37/19/1038243719.db2.gz XVLAIWDSEZQXHN-UHFFFAOYSA-N -1 0 339.313 3.780 20 0 EHADRM COc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)c1 ZINC000461350105 1038345924 /nfs/dbraw/zinc/34/59/24/1038345924.db2.gz YKEIRTKITQZXRD-UHFFFAOYSA-N -1 0 337.344 3.576 20 0 EHADRM CC(C)Cc1n[n-]c(=NCc2csc(-c3cccs3)n2)s1 ZINC000538507670 1038348454 /nfs/dbraw/zinc/34/84/54/1038348454.db2.gz VYNZVIZMUUCHSZ-UHFFFAOYSA-N -1 0 336.511 3.956 20 0 EHADRM Cc1ccccc1C(C)(C)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000538575467 1038397195 /nfs/dbraw/zinc/39/71/95/1038397195.db2.gz GXRBAAGCJQIPQY-UHFFFAOYSA-N -1 0 331.456 3.814 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccsc2)s1)NC/C=C/c1ccccc1 ZINC000538689103 1038481155 /nfs/dbraw/zinc/48/11/55/1038481155.db2.gz TXSHEIJPZZDRNT-QPJJXVBHSA-N -1 0 342.449 3.523 20 0 EHADRM CCCc1nc(=N[C@@H](C)c2ccc(OC(C)C)c(OC)c2)s[n-]1 ZINC000461778358 1038605486 /nfs/dbraw/zinc/60/54/86/1038605486.db2.gz PCTNQEDJPVYDGF-LBPRGKRZSA-N -1 0 335.473 3.881 20 0 EHADRM CCCc1nc(=NCc2csc(CCc3ccccc3)n2)s[n-]1 ZINC000461972684 1038705901 /nfs/dbraw/zinc/70/59/01/1038705901.db2.gz OKJXLGITWCPQAI-UHFFFAOYSA-N -1 0 344.509 3.766 20 0 EHADRM CCc1nnc(C)cc1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000228447225 1038747895 /nfs/dbraw/zinc/74/78/95/1038747895.db2.gz SLTCWTVFORYWNW-UHFFFAOYSA-N -1 0 326.183 3.612 20 0 EHADRM C[C@@]1(NC(=O)c2ccc(-c3ccc(F)cc3)o2)CCCC[C@@H]1C(=O)[O-] ZINC000431886301 1038756761 /nfs/dbraw/zinc/75/67/61/1038756761.db2.gz DBQOUBWCFRKVHD-AUUYWEPGSA-N -1 0 345.370 3.849 20 0 EHADRM O=S(=O)([N-]c1ccccc1)c1cc(Br)c(F)cc1F ZINC000485232339 1038780572 /nfs/dbraw/zinc/78/05/72/1038780572.db2.gz SRLASTYIFWSSLE-UHFFFAOYSA-N -1 0 348.168 3.528 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2O)c2ccccc12 ZINC000086170910 1038829564 /nfs/dbraw/zinc/82/95/64/1038829564.db2.gz HNJSMMMONCRYLS-UHFFFAOYSA-N -1 0 343.404 3.663 20 0 EHADRM O=C(NOCc1ccccc1)Nc1nc(Cc2ccccc2)cs1 ZINC000184413336 1038845014 /nfs/dbraw/zinc/84/50/14/1038845014.db2.gz RJMXPZZNHVJCEB-UHFFFAOYSA-N -1 0 339.420 3.987 20 0 EHADRM C[C@@H](CNS(=O)(=O)c1ccccc1C(F)(F)F)CC(F)(F)F ZINC000416608175 1038845800 /nfs/dbraw/zinc/84/58/00/1038845800.db2.gz QZFADLBJTUZENB-MRVPVSSYSA-N -1 0 349.296 3.572 20 0 EHADRM COc1cccc([C@@H](C(=O)[O-])N(C)Cc2csc(C(C)(C)C)n2)c1 ZINC000905371374 1038849437 /nfs/dbraw/zinc/84/94/37/1038849437.db2.gz NJMATRYEYZUBEH-HNNXBMFYSA-N -1 0 348.468 3.707 20 0 EHADRM CC[C@H](C)CS(=O)(=O)[N-][C@H](CCc1ccccc1)C(F)(F)F ZINC000479892918 1038871573 /nfs/dbraw/zinc/87/15/73/1038871573.db2.gz OUHKFGHHCULOOV-GXTWGEPZSA-N -1 0 337.407 3.516 20 0 EHADRM C[C@H](C(=O)N[C@H](CC(=O)[O-])c1ccccc1Cl)c1cccs1 ZINC000910403271 1038884730 /nfs/dbraw/zinc/88/47/30/1038884730.db2.gz AVZNGCFIPPPPOH-GXFFZTMASA-N -1 0 337.828 3.837 20 0 EHADRM Cc1sc2nc(C)nc(N[C@@H]3C[C@@H]4C[C@H](C(=O)[O-])C[C@H]34)c2c1C ZINC000910385306 1038889660 /nfs/dbraw/zinc/88/96/60/1038889660.db2.gz IWUQRCNMTZPVQS-ZDEQEGDKSA-N -1 0 331.441 3.528 20 0 EHADRM CC(C)[C@H]([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)c1ccc(F)cc1F ZINC000184676010 1038890723 /nfs/dbraw/zinc/89/07/23/1038890723.db2.gz DUJCYVONYGLLDE-UFBFGSQYSA-N -1 0 345.333 3.532 20 0 EHADRM C[C@@H](CC(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1)C(C)(C)C ZINC000485300245 1038896740 /nfs/dbraw/zinc/89/67/40/1038896740.db2.gz DSKDEIOTNDTEFR-LBPRGKRZSA-N -1 0 341.398 3.840 20 0 EHADRM Cc1cc(C(F)F)oc1C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-] ZINC000910504666 1038952513 /nfs/dbraw/zinc/95/25/13/1038952513.db2.gz RNQGHHLWRMYLFQ-UHFFFAOYSA-N -1 0 331.359 3.735 20 0 EHADRM Cc1cc(Cl)c(C(=O)Nc2nc(CCC(=O)[O-])cs2)cc1C ZINC000910645587 1038987926 /nfs/dbraw/zinc/98/79/26/1038987926.db2.gz FXVXJLVJXGRJJN-UHFFFAOYSA-N -1 0 338.816 3.683 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1cnn(CCC(C)C)c1C(C)C ZINC000910656273 1039005003 /nfs/dbraw/zinc/00/50/03/1039005003.db2.gz KODYKQYJEIBIRW-UHFFFAOYSA-N -1 0 347.415 3.905 20 0 EHADRM CCC[C@H]1[C@@H](C)CCCN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000479996396 1039012082 /nfs/dbraw/zinc/01/20/82/1039012082.db2.gz SBNZBTTVISZNEL-HOCLYGCPSA-N -1 0 327.428 3.619 20 0 EHADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000485394877 1039024276 /nfs/dbraw/zinc/02/42/76/1039024276.db2.gz KHDYQLARYKJTNL-UHFFFAOYSA-N -1 0 332.208 3.803 20 0 EHADRM CC(C)c1sc(NC(=O)C2(c3cccc(F)c3)CC2)nc1C(=O)[O-] ZINC000910698301 1039026100 /nfs/dbraw/zinc/02/61/00/1039026100.db2.gz BFJRYYHNUYTYBF-UHFFFAOYSA-N -1 0 348.399 3.774 20 0 EHADRM CCc1ccc(F)cc1C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910739251 1039045362 /nfs/dbraw/zinc/04/53/62/1039045362.db2.gz KAMUPPFWFHUYQD-UHFFFAOYSA-N -1 0 334.372 3.673 20 0 EHADRM Cc1ccc(C[C@@H](C)C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)cc1 ZINC000910744739 1039073843 /nfs/dbraw/zinc/07/38/43/1039073843.db2.gz YFJHGIUUHOXRPA-LLVKDONJSA-N -1 0 344.436 3.844 20 0 EHADRM COc1cc(Cl)c(Cl)cc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000500618549 1039074703 /nfs/dbraw/zinc/07/47/03/1039074703.db2.gz PVJSSLDXGUQLMU-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM O=C([O-])c1cccc2c1OCCN(CCc1ccc(F)cc1Cl)C2 ZINC000905741784 1039078884 /nfs/dbraw/zinc/07/88/84/1039078884.db2.gz VTWMZODGTIQMGZ-UHFFFAOYSA-N -1 0 349.789 3.614 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)CC3CCC(c4ccccc4)CC3)C[C@@H]21 ZINC000910840558 1039111631 /nfs/dbraw/zinc/11/16/31/1039111631.db2.gz SACIQEGATBGFPS-ZNVFCKPHSA-N -1 0 341.451 3.530 20 0 EHADRM CC(C)[C@@H](C)C(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC000910958823 1039158338 /nfs/dbraw/zinc/15/83/38/1039158338.db2.gz WLGBDTOCKPKXIS-CYBMUJFWSA-N -1 0 342.439 3.864 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1SCCc2ccccc21 ZINC000910961438 1039160181 /nfs/dbraw/zinc/16/01/81/1039160181.db2.gz SONJEJMSYFWLAW-KRWDZBQOSA-N -1 0 341.432 3.916 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)C[C@H]1CCO[C@@H](C(C)C)C1 ZINC000910959613 1039160914 /nfs/dbraw/zinc/16/09/14/1039160914.db2.gz SOTKFTUYNNIGPY-SUMWQHHRSA-N -1 0 333.428 3.727 20 0 EHADRM CCN(C(=O)C[C@]12CCCC[C@H]1C2(F)F)c1cccc(C(=O)[O-])c1 ZINC000910966671 1039165332 /nfs/dbraw/zinc/16/53/32/1039165332.db2.gz HSNXPMSDIMGBAB-RHSMWYFYSA-N -1 0 337.366 3.953 20 0 EHADRM CC1(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)CC2)CCCCCC1 ZINC000911017639 1039187355 /nfs/dbraw/zinc/18/73/55/1039187355.db2.gz MAMPSMOFZQONFX-UHFFFAOYSA-N -1 0 335.366 3.603 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)CC1 ZINC000911019265 1039187446 /nfs/dbraw/zinc/18/74/46/1039187446.db2.gz NXCABWJHNXLHHK-CYBMUJFWSA-N -1 0 349.393 3.849 20 0 EHADRM CCNc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)c1cccc(OC)c1 ZINC000911083803 1039216278 /nfs/dbraw/zinc/21/62/78/1039216278.db2.gz RWJLSJGMSKOEFN-GFCCVEGCSA-N -1 0 342.395 3.567 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@]2(C)Cc2cccs2)oc1C(=O)[O-] ZINC000911063542 1039222310 /nfs/dbraw/zinc/22/23/10/1039222310.db2.gz YUTVCGNLVNORNA-QGZVFWFLSA-N -1 0 333.409 3.585 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N3CC(C4CCC4)C3)s2)c1 ZINC000554326642 1039224798 /nfs/dbraw/zinc/22/47/98/1039224798.db2.gz RQTYZTVLXZBCSE-UHFFFAOYSA-N -1 0 342.468 3.508 20 0 EHADRM Cc1cc2occ(CC(=O)NCCCCC(=O)[O-])c2cc1C(C)C ZINC000236622805 1039227303 /nfs/dbraw/zinc/22/73/03/1039227303.db2.gz PTFLRCVYJTZLLB-UHFFFAOYSA-N -1 0 331.412 3.778 20 0 EHADRM Fc1cc(C2CC2)ccc1CN=c1[n-]nc(-c2ccccn2)s1 ZINC000488501169 1039229624 /nfs/dbraw/zinc/22/96/24/1039229624.db2.gz FRIOVEHDRUSQBX-UHFFFAOYSA-N -1 0 326.400 3.651 20 0 EHADRM O=C([O-])C1CCC(CC(=O)Nc2cccc(N3CCCC3)c2)CC1 ZINC000911226933 1039302337 /nfs/dbraw/zinc/30/23/37/1039302337.db2.gz GSYPQJJCHVQAJF-UHFFFAOYSA-N -1 0 330.428 3.506 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N2CCCCC[C@H]2c2ccncc2)CC1 ZINC000911235355 1039304351 /nfs/dbraw/zinc/30/43/51/1039304351.db2.gz YEJWCGCOPQGGKF-VJFUWPCTSA-N -1 0 344.455 3.806 20 0 EHADRM CCN(Cc1occc1C)C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000417000873 1039310354 /nfs/dbraw/zinc/31/03/54/1039310354.db2.gz VJVQXVUFRHKYGA-UHFFFAOYSA-N -1 0 348.453 3.644 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cc(F)ccc2OCC2CC2)c1 ZINC000480209605 1039311002 /nfs/dbraw/zinc/31/10/02/1039311002.db2.gz OHXGRRAVOVBOOI-UHFFFAOYSA-N -1 0 335.400 3.724 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1cc(F)ccc1OCC1CC1 ZINC000480210855 1039311308 /nfs/dbraw/zinc/31/13/08/1039311308.db2.gz VQRWAPIVHDWPPH-UHFFFAOYSA-N -1 0 341.429 3.785 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ccc3occ(C)c3c2)c(F)c1 ZINC000480215628 1039311409 /nfs/dbraw/zinc/31/14/09/1039311409.db2.gz SJSDVOYKNGPKNG-UHFFFAOYSA-N -1 0 335.356 3.690 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])c2)[nH]c1C ZINC000911264679 1039313157 /nfs/dbraw/zinc/31/31/57/1039313157.db2.gz UTCQNJDWIDMSPA-CVEARBPZSA-N -1 0 341.411 3.523 20 0 EHADRM C[C@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)C1CCCC1 ZINC000911329732 1039324496 /nfs/dbraw/zinc/32/44/96/1039324496.db2.gz ZPBAMWKGOZRKLH-CYBMUJFWSA-N -1 0 342.395 3.653 20 0 EHADRM Cc1cc(C(=O)Nc2cc(F)ccc2N2CCCCC2)oc1C(=O)[O-] ZINC000911335532 1039325298 /nfs/dbraw/zinc/32/52/98/1039325298.db2.gz WFRYFAQAWNNAOA-UHFFFAOYSA-N -1 0 346.358 3.668 20 0 EHADRM O=C(N=c1cc2ccccn2[nH]1)N1CCCC2(CCCCC2)CC1 ZINC000554441827 1039353300 /nfs/dbraw/zinc/35/33/00/1039353300.db2.gz RRYJAELKTCDXGY-UHFFFAOYSA-N -1 0 326.444 3.725 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)s1 ZINC000237601383 1039363499 /nfs/dbraw/zinc/36/34/99/1039363499.db2.gz FHOCZOCIPAOHIW-LBPRGKRZSA-N -1 0 341.791 3.795 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2c(C)noc2C)cc1C(C)C ZINC000278827928 1039393100 /nfs/dbraw/zinc/39/31/00/1039393100.db2.gz YKZAHSPWDSCIAC-UHFFFAOYSA-N -1 0 338.429 3.533 20 0 EHADRM Cc1cc(-c2ccc(O[C@@H]3CCOC3)c(C)c2)c(CC(=O)[O-])s1 ZINC000906242141 1039427293 /nfs/dbraw/zinc/42/72/93/1039427293.db2.gz XZFDACIOLFQBNW-CQSZACIVSA-N -1 0 332.421 3.827 20 0 EHADRM CC(C)n1cc(/C=C\c2cc(C(=O)[O-])c3cnn(C(C)C)c3n2)cn1 ZINC000554518831 1039429651 /nfs/dbraw/zinc/42/96/51/1039429651.db2.gz LKHQKTIQBLDAGT-WAYWQWQTSA-N -1 0 339.399 3.658 20 0 EHADRM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000237796289 1039431088 /nfs/dbraw/zinc/43/10/88/1039431088.db2.gz JYJHDPSTBQXPTD-GJZGRUSLSA-N -1 0 329.421 3.816 20 0 EHADRM Cc1ccccc1CC(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000237715160 1039431750 /nfs/dbraw/zinc/43/17/50/1039431750.db2.gz CYBGNCXVBCXPLX-MRXNPFEDSA-N -1 0 349.789 3.662 20 0 EHADRM C[C@@H](CN(C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[O-] ZINC000261947674 1039434271 /nfs/dbraw/zinc/43/42/71/1039434271.db2.gz MNLUUGUAUQTRKY-ZETCQYMHSA-N -1 0 338.713 3.543 20 0 EHADRM CN(CC(F)(F)F)C(=O)Nc1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000554532639 1039440404 /nfs/dbraw/zinc/44/04/04/1039440404.db2.gz QFVMMJBBBACYSM-UHFFFAOYSA-N -1 0 345.104 3.718 20 0 EHADRM CC[C@@H](C)[C@H]([N-]S(=O)(=O)Cc1ccc(C)cc1F)C(F)(F)F ZINC000480341628 1039456591 /nfs/dbraw/zinc/45/65/91/1039456591.db2.gz KBQOSGDVFPVAQF-MFKMUULPSA-N -1 0 341.370 3.531 20 0 EHADRM Cc1cc(F)c(NC(=O)C2(C)CCC(F)(F)CC2)cc1C(=O)[O-] ZINC000911687244 1039459940 /nfs/dbraw/zinc/45/99/40/1039459940.db2.gz CVJBNDDRPNZCGE-UHFFFAOYSA-N -1 0 329.318 3.986 20 0 EHADRM CC(C)Oc1c(NC(=O)[C@H](C)c2ccccc2)cccc1C(=O)[O-] ZINC000911734290 1039476734 /nfs/dbraw/zinc/47/67/34/1039476734.db2.gz PUDMMGMSFJSCMB-CYBMUJFWSA-N -1 0 327.380 3.914 20 0 EHADRM Cc1c(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)cccc1-c1ncco1 ZINC000911751230 1039486343 /nfs/dbraw/zinc/48/63/43/1039486343.db2.gz XCNUCFCAOQJJJO-UHFFFAOYSA-N -1 0 340.379 3.624 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)c1cnc(-c2ccco2)s1 ZINC000238110937 1039493124 /nfs/dbraw/zinc/49/31/24/1039493124.db2.gz VBWSQNSDZMHJQO-UHFFFAOYSA-N -1 0 336.413 3.558 20 0 EHADRM CCC(CC)c1nnc(NC(=O)c2ccc(Cl)nc2F)s1 ZINC000906366968 1039513994 /nfs/dbraw/zinc/51/39/94/1039513994.db2.gz FZWDIVXDTQQEQG-UHFFFAOYSA-N -1 0 328.800 3.882 20 0 EHADRM Cc1cc2[nH]c(CN=c3[n-]nc(Cc4ccsc4)o3)cc2c(C)c1 ZINC000478630789 1039586162 /nfs/dbraw/zinc/58/61/62/1039586162.db2.gz ZNJGWKJNZBEDIR-UHFFFAOYSA-N -1 0 338.436 3.854 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cn2)c(C)o1 ZINC000345077878 1039624945 /nfs/dbraw/zinc/62/49/45/1039624945.db2.gz QBWWQPJPILVCHG-UHFFFAOYSA-N -1 0 344.392 3.885 20 0 EHADRM C[C@H](CCNC(=O)CC(C)(C)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000554729695 1039636542 /nfs/dbraw/zinc/63/65/42/1039636542.db2.gz PCKQTOISLZELOC-LLVKDONJSA-N -1 0 345.361 3.816 20 0 EHADRM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000907202004 1039952461 /nfs/dbraw/zinc/95/24/61/1039952461.db2.gz DBGFWUHHEJQDQO-AZHPSCLISA-N -1 0 334.586 3.516 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)c1ccc(C(F)F)cc1F)C(=O)[O-] ZINC000655541202 1040000303 /nfs/dbraw/zinc/00/03/03/1040000303.db2.gz YMFDVSWDUSSHBJ-LBPRGKRZSA-N -1 0 331.334 3.773 20 0 EHADRM CC(C)CCc1ccc(NC(=O)c2ccc3oc(=O)nc-3[n-]2)cc1 ZINC000667447520 1040012403 /nfs/dbraw/zinc/01/24/03/1040012403.db2.gz ZIBNSMRFSXZESZ-UHFFFAOYSA-N -1 0 325.368 3.769 20 0 EHADRM CCc1nc(CNCc2cscc2C(F)(F)F)ccc1C(=O)[O-] ZINC000417568677 1040018822 /nfs/dbraw/zinc/01/88/22/1040018822.db2.gz PZFJCKQTEWPICN-UHFFFAOYSA-N -1 0 344.358 3.712 20 0 EHADRM Cc1cncc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)c1 ZINC000074834488 1040030543 /nfs/dbraw/zinc/03/05/43/1040030543.db2.gz OYXIBHOCGNFMON-UHFFFAOYSA-N -1 0 332.425 3.512 20 0 EHADRM Cc1nc(CN[C@@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)cs1 ZINC000417575492 1040039313 /nfs/dbraw/zinc/03/93/13/1040039313.db2.gz FXXQRKLAXDUAAF-ZDUSSCGKSA-N -1 0 344.358 3.776 20 0 EHADRM Cc1noc([N-]S(=O)(=O)c2oc3ccc(Cl)cc3c2C)c1C ZINC000489529729 1040044975 /nfs/dbraw/zinc/04/49/75/1040044975.db2.gz BRUKCLZXESEPKR-UHFFFAOYSA-N -1 0 340.788 3.800 20 0 EHADRM O=C([O-])CCCc1ccccc1NCc1ccc(Br)cn1 ZINC000417617345 1040067279 /nfs/dbraw/zinc/06/72/79/1040067279.db2.gz FTZQREFLBVYXIG-UHFFFAOYSA-N -1 0 349.228 3.864 20 0 EHADRM C[C@H](CC(=O)[O-])c1ccc(NCc2ccc3c(c2)OCCO3)cc1 ZINC000417612264 1040081775 /nfs/dbraw/zinc/08/17/75/1040081775.db2.gz QQLDQVABHCFPTG-CYBMUJFWSA-N -1 0 327.380 3.648 20 0 EHADRM Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000489727044 1040157976 /nfs/dbraw/zinc/15/79/76/1040157976.db2.gz VCYNBZKSRZHTSU-NWDGAFQWSA-N -1 0 349.356 3.845 20 0 EHADRM FC(F)(F)c1nc(=N[C@H]2C[C@H](c3cccc(Cl)c3)C2)s[n-]1 ZINC000553563267 1040182147 /nfs/dbraw/zinc/18/21/47/1040182147.db2.gz XOURIEKRPRMIAC-CZMCAQCFSA-N -1 0 333.766 3.990 20 0 EHADRM CC[C@@H](CC(=O)NC[C@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC000236925141 1040191146 /nfs/dbraw/zinc/19/11/46/1040191146.db2.gz OTZGIEHYIYLNFS-HKUYNNGSSA-N -1 0 339.435 3.630 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccn(-c3ccccc3Cl)n2)c1 ZINC000486500533 1040192981 /nfs/dbraw/zinc/19/29/81/1040192981.db2.gz RJOGXWCQEWFLOQ-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@H]12 ZINC000907929526 1040223241 /nfs/dbraw/zinc/22/32/41/1040223241.db2.gz KHWRZHWVLAYFEI-GIFSMMMISA-N -1 0 347.411 3.578 20 0 EHADRM CCN(C(=O)Nc1ncc(-c2ccccc2)s1)C(C)(C)C(=O)[O-] ZINC000899237829 1040224227 /nfs/dbraw/zinc/22/42/27/1040224227.db2.gz CACCXPDFFMPOOV-UHFFFAOYSA-N -1 0 333.413 3.527 20 0 EHADRM Cc1c(C(=O)N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@H]23)sc2cccc(F)c12 ZINC000907931489 1040225165 /nfs/dbraw/zinc/22/51/65/1040225165.db2.gz IAVUGKCBIFRCHC-SRRSOLGSSA-N -1 0 347.411 3.578 20 0 EHADRM CCc1nc(C)c(NC(=O)Nc2cccc(CCC(=O)[O-])c2)s1 ZINC000417770708 1040227842 /nfs/dbraw/zinc/22/78/42/1040227842.db2.gz HENBQIOHCGCEPC-UHFFFAOYSA-N -1 0 333.413 3.675 20 0 EHADRM CC[C@@H](CC(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1)c1ccccc1 ZINC000236927098 1040228581 /nfs/dbraw/zinc/22/85/81/1040228581.db2.gz GIXUORQBKYFWGU-STQMWFEESA-N -1 0 346.452 3.911 20 0 EHADRM CC(C)(C)c1ccc(CCC(=O)N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@H]23)cc1 ZINC000907924924 1040233577 /nfs/dbraw/zinc/23/35/77/1040233577.db2.gz KLUJCHLGCPKBFJ-CIRFHOKZSA-N -1 0 343.467 3.532 20 0 EHADRM COCCOCc1cccc(-c2ccc(C)c(C(=O)[O-])c2OC)c1 ZINC000572663142 1040253939 /nfs/dbraw/zinc/25/39/39/1040253939.db2.gz GVBMDXMJTNHDHR-UHFFFAOYSA-N -1 0 330.380 3.532 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000908027876 1040269569 /nfs/dbraw/zinc/26/95/69/1040269569.db2.gz KNRPGNHCJICAJO-ZDUSSCGKSA-N -1 0 345.361 3.801 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)N(C)c1cccc(CC(=O)[O-])c1 ZINC000908076100 1040287745 /nfs/dbraw/zinc/28/77/45/1040287745.db2.gz AYPKDGNMIPAZHZ-HNNXBMFYSA-N -1 0 325.408 3.779 20 0 EHADRM O=C([O-])c1ccc2cc(CCNC(=O)C[C@@H]3CC=CCC3)oc2c1 ZINC000899303720 1040305479 /nfs/dbraw/zinc/30/54/79/1040305479.db2.gz FSXPBMMAABLHOF-CYBMUJFWSA-N -1 0 327.380 3.536 20 0 EHADRM Cc1ccc([C@H](C)[C@H](O)C(=O)Nc2cc(Cl)c([O-])cc2F)cc1 ZINC000553688142 1040335588 /nfs/dbraw/zinc/33/55/88/1040335588.db2.gz CDLWDLHFSPFQFG-QFYYESIMSA-N -1 0 337.778 3.596 20 0 EHADRM Fc1ccccc1[C@@H]1CC[C@@H](N=c2[n-]nc(-c3ccccn3)s2)C1 ZINC000481082647 1040338750 /nfs/dbraw/zinc/33/87/50/1040338750.db2.gz AJBURAXMOIFANH-CHWSQXEVSA-N -1 0 340.427 3.909 20 0 EHADRM O=c1cc(C2CCOCC2)[n-]n1Cc1c(Cl)cccc1Cl ZINC000899355936 1040364470 /nfs/dbraw/zinc/36/44/70/1040364470.db2.gz FKLHIMOHTUJYJW-UHFFFAOYSA-N -1 0 327.211 3.508 20 0 EHADRM Cc1ccc2nc(C)c(C(=O)Nc3ccc(C(=O)[O-])cc3F)cc2c1 ZINC000479532677 1040366485 /nfs/dbraw/zinc/36/64/85/1040366485.db2.gz XUJXVWDEQUXNRE-UHFFFAOYSA-N -1 0 338.338 3.941 20 0 EHADRM O=c1c(C(F)(F)F)c(C2CC2)[n-]n1-c1cccc(C(F)(F)F)c1 ZINC000899348759 1040368695 /nfs/dbraw/zinc/36/86/95/1040368695.db2.gz JMZMUHSCXFJGJC-SNVBAGLBSA-N -1 0 336.235 3.997 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)/C=C\c1ccc(F)c(Cl)c1 ZINC000390344402 1040391405 /nfs/dbraw/zinc/39/14/05/1040391405.db2.gz HEMSSYXMMJKRBT-VURMDHGXSA-N -1 0 333.746 3.758 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)c2cc(F)cc3cccnc32)CCC1 ZINC000908339332 1040398663 /nfs/dbraw/zinc/39/86/63/1040398663.db2.gz OEWYXOYYWYUAQF-UHFFFAOYSA-N -1 0 344.386 3.529 20 0 EHADRM CC[C@H](C(=O)NCCCCC1(C(=O)[O-])CCC1)c1ccc(F)cc1 ZINC000908339517 1040401727 /nfs/dbraw/zinc/40/17/27/1040401727.db2.gz QGYMPWYQIJHFRP-INIZCTEOSA-N -1 0 335.419 3.861 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1 ZINC000908366916 1040414951 /nfs/dbraw/zinc/41/49/51/1040414951.db2.gz JUYBYOMKPXYGDX-ZMSDIMECSA-N -1 0 347.455 3.727 20 0 EHADRM CCC1(C(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)CCCC1 ZINC000151035752 1040525060 /nfs/dbraw/zinc/52/50/60/1040525060.db2.gz TYERMMMEVGRGSL-UHFFFAOYSA-N -1 0 331.437 3.615 20 0 EHADRM CC[C@H](NC(=O)N=c1[n-]nc(/C=C/c2ccco2)s1)C(C)(C)C ZINC000486915400 1040540700 /nfs/dbraw/zinc/54/07/00/1040540700.db2.gz GCNPLLLBHLUREG-BCPZQOPPSA-N -1 0 334.445 3.670 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)c1 ZINC000908635872 1040542419 /nfs/dbraw/zinc/54/24/19/1040542419.db2.gz NLNLROHPABLVGB-CQSZACIVSA-N -1 0 336.432 3.623 20 0 EHADRM CC(C)CC1(C(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)CCC1 ZINC000151063852 1040545870 /nfs/dbraw/zinc/54/58/70/1040545870.db2.gz MPSZLNQGHPOWPQ-UHFFFAOYSA-N -1 0 347.480 3.636 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000908803778 1040670475 /nfs/dbraw/zinc/67/04/75/1040670475.db2.gz NOXUGBDRYHWPSJ-FQEVSTJZSA-N -1 0 327.424 3.666 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 ZINC000908882781 1040700392 /nfs/dbraw/zinc/70/03/92/1040700392.db2.gz FVBRJGPTZDSSPZ-LLVKDONJSA-N -1 0 331.334 3.535 20 0 EHADRM Cc1ccc(C)c(C(=O)N[C@@H]2CCCc3sccc32)c1C(=O)[O-] ZINC000323486619 1040726865 /nfs/dbraw/zinc/72/68/65/1040726865.db2.gz LKXWCGIGHRRSDV-CYBMUJFWSA-N -1 0 329.421 3.871 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(OCCF)c2)sc1Cl ZINC000473478382 1040846310 /nfs/dbraw/zinc/84/63/10/1040846310.db2.gz FZYNMJWAGUQIIF-UHFFFAOYSA-N -1 0 349.836 3.859 20 0 EHADRM CC[C@H](c1n[n-]c(=NC(=O)c2oc(C)cc2C)s1)c1ccccc1 ZINC000487257035 1040858604 /nfs/dbraw/zinc/85/86/04/1040858604.db2.gz SDYHJEAPPBCDFB-AWEZNQCLSA-N -1 0 341.436 3.964 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000042250354 1040859617 /nfs/dbraw/zinc/85/96/17/1040859617.db2.gz ONFQHZCCHDCQNZ-UHFFFAOYSA-N -1 0 347.289 3.538 20 0 EHADRM Cc1ccc(C([O-])=CS(=O)(=O)c2ccccc2C(F)(F)F)s1 ZINC000319388183 1040889442 /nfs/dbraw/zinc/88/94/42/1040889442.db2.gz CTFWQTBLIXPNKS-UHFFFAOYSA-N -1 0 348.367 3.732 20 0 EHADRM Cc1ccc(NC(=O)C[C@H]2CCc3sccc3C2=O)cc1C(=O)[O-] ZINC000909294196 1040911711 /nfs/dbraw/zinc/91/17/11/1040911711.db2.gz GNZZTFMUHDTXOD-LLVKDONJSA-N -1 0 343.404 3.529 20 0 EHADRM CCC[C@H](C)N(C)C(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1 ZINC000481510667 1041003740 /nfs/dbraw/zinc/00/37/40/1041003740.db2.gz VBIGCWYOVVTXBH-JTQLQIEISA-N -1 0 338.864 3.933 20 0 EHADRM COCC(C)(C)CC(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000909787944 1041010590 /nfs/dbraw/zinc/01/05/90/1041010590.db2.gz RLDKWNOFMCZYJI-QGZVFWFLSA-N -1 0 343.423 3.535 20 0 EHADRM O=C(N=c1[n-]nc(-c2cccc(Cl)c2)s1)NCc1ccccc1 ZINC000481514091 1041012744 /nfs/dbraw/zinc/01/27/44/1041012744.db2.gz AKTLCBUMAWSMGJ-UHFFFAOYSA-N -1 0 344.827 3.602 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@H]2CCOC3(CCCC3)C2)c1 ZINC000909829566 1041015813 /nfs/dbraw/zinc/01/58/13/1041015813.db2.gz FCYMXZHGENIUCN-ZFWWWQNUSA-N -1 0 331.412 3.553 20 0 EHADRM CC[C@](O)(CC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC000909836765 1041033656 /nfs/dbraw/zinc/03/36/56/1041033656.db2.gz RKARTWOPPWTVQI-XOBRGWDASA-N -1 0 341.407 3.501 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)N(CC(=O)[O-])[C@@H](C)c2ccccc2)cc1 ZINC000555705272 1041040068 /nfs/dbraw/zinc/04/00/68/1041040068.db2.gz GLTPWJRFBSHANS-CVEARBPZSA-N -1 0 340.423 3.913 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2cc(C)c(Cl)s2)ccc1F ZINC000473482683 1041071412 /nfs/dbraw/zinc/07/14/12/1041071412.db2.gz UFMPKCMWLZMNSO-UHFFFAOYSA-N -1 0 335.809 3.658 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2ccc(C)cc2Cl)n1 ZINC000909950955 1041079003 /nfs/dbraw/zinc/07/90/03/1041079003.db2.gz LMMLNBJUVQYPNL-CYBMUJFWSA-N -1 0 335.791 3.523 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)[C@@H]1CSc2ccccc21 ZINC000163591361 1041083973 /nfs/dbraw/zinc/08/39/73/1041083973.db2.gz JHZOKXQFYGJZTF-LLVKDONJSA-N -1 0 328.418 3.945 20 0 EHADRM CC(C)(CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21)CC(F)F ZINC000909961419 1041084174 /nfs/dbraw/zinc/08/41/74/1041084174.db2.gz MFYUJMFJXHJARP-RWMBFGLXSA-N -1 0 331.403 3.550 20 0 EHADRM COc1ccc(C)cc1NC(=O)C[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000899760237 1041087133 /nfs/dbraw/zinc/08/71/33/1041087133.db2.gz ZDMMLEBUEZNEOH-OAHLLOKOSA-N -1 0 327.380 3.509 20 0 EHADRM CCOc1ccc(OCC)c(NC(=O)[C@H](CC(=O)[O-])CC(C)C)c1 ZINC000899760925 1041088041 /nfs/dbraw/zinc/08/80/41/1041088041.db2.gz ASGPMONIQKMFOY-ZDUSSCGKSA-N -1 0 337.416 3.560 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000899763119 1041090339 /nfs/dbraw/zinc/09/03/39/1041090339.db2.gz ZXNFVTGAQOEEPX-AAEUAGOBSA-N -1 0 343.370 3.602 20 0 EHADRM CCOc1cc(Cl)ccc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-] ZINC000899773357 1041109962 /nfs/dbraw/zinc/10/99/62/1041109962.db2.gz JUSPGTAGIYQOMB-DLXUEXIISA-N -1 0 349.814 3.590 20 0 EHADRM Cc1ccc([C@H](CC(=O)Nc2ccccc2OCCF)C(=O)[O-])cc1 ZINC000899789426 1041127341 /nfs/dbraw/zinc/12/73/41/1041127341.db2.gz NFQOQWBUOIHMLN-HNNXBMFYSA-N -1 0 345.370 3.540 20 0 EHADRM COc1cccc2c1ncc(C(=O)[O-])c2N1CCC[C@@H](CSC)C1 ZINC000570969203 1041133298 /nfs/dbraw/zinc/13/32/98/1041133298.db2.gz APWJZWWAXSZUDL-GFCCVEGCSA-N -1 0 346.452 3.521 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000910017328 1041151692 /nfs/dbraw/zinc/15/16/92/1041151692.db2.gz FZXNLGQOGKEEQG-DLBZAZTESA-N -1 0 343.810 3.643 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N2CCCc3sccc3C2)C(=O)[O-])cc1 ZINC000899807432 1041153327 /nfs/dbraw/zinc/15/33/27/1041153327.db2.gz WRALYSGSILAOKE-MRXNPFEDSA-N -1 0 343.448 3.590 20 0 EHADRM Cc1coc(C(=O)N2CCC([C@@H](CC(=O)[O-])c3ccccc3)CC2)c1 ZINC000910034922 1041156271 /nfs/dbraw/zinc/15/62/71/1041156271.db2.gz CQVMATNGBDJYCR-KRWDZBQOSA-N -1 0 341.407 3.699 20 0 EHADRM CC/C=C(/C)C(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC000910080807 1041165020 /nfs/dbraw/zinc/16/50/20/1041165020.db2.gz AWBSBMGGXGBACW-YVMONPNESA-N -1 0 326.190 3.751 20 0 EHADRM Cc1ccc([C@H](CC(=O)N2CCCc3ccccc3C2)C(=O)[O-])cc1 ZINC000899816451 1041173841 /nfs/dbraw/zinc/17/38/41/1041173841.db2.gz DWUMMQVADLILNW-IBGZPJMESA-N -1 0 337.419 3.528 20 0 EHADRM CCN(Cc1occc1C)C(=O)C[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000899831100 1041190123 /nfs/dbraw/zinc/19/01/23/1041190123.db2.gz OXSYTXXJBILWQY-MRXNPFEDSA-N -1 0 329.396 3.503 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CC(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])cs1 ZINC000910112925 1041194783 /nfs/dbraw/zinc/19/47/83/1041194783.db2.gz FUSKFDTWAOKOEW-YRGRVCCFSA-N -1 0 336.457 3.721 20 0 EHADRM CCC[C@@]1(C(=O)[O-])CCCN1C(=O)c1[nH]c(C)c(C(C)=O)c1C(C)C ZINC000910115824 1041196673 /nfs/dbraw/zinc/19/66/73/1041196673.db2.gz VVHITDVXGKYXBO-IBGZPJMESA-N -1 0 348.443 3.509 20 0 EHADRM C/C=C\C[C@@H](NC(=O)Nc1ccc(SC)c(Cl)c1)C(=O)[O-] ZINC000555851183 1041226431 /nfs/dbraw/zinc/22/64/31/1041226431.db2.gz MKSNSGUFYRMYKE-DLRQAJBASA-N -1 0 328.821 3.603 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1cccc(CCC(F)(F)F)c1)C(=O)[O-] ZINC000555851548 1041241660 /nfs/dbraw/zinc/24/16/60/1041241660.db2.gz GCKXCDXDDORGMV-CQSZACIVSA-N -1 0 332.322 3.556 20 0 EHADRM CCCCC[C@@H]1CCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000500367257 1041250989 /nfs/dbraw/zinc/25/09/89/1041250989.db2.gz RHBGOTQNSPQOPJ-OAHLLOKOSA-N -1 0 345.418 3.902 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cc(=O)[nH]c(CC(C)C)c1 ZINC000431992930 1041452740 /nfs/dbraw/zinc/45/27/40/1041452740.db2.gz QIDRZAPQAUOWGO-UHFFFAOYSA-N -1 0 342.395 3.553 20 0 EHADRM O=C([O-])c1cncc(Nc2cc(F)c(F)c(Br)c2)c1 ZINC001175842565 1132773423 /nfs/dbraw/zinc/77/34/23/1132773423.db2.gz NHLYRWYICGONCH-UHFFFAOYSA-N -1 0 329.100 3.564 20 0 EHADRM CC(=O)N1CC2(CC2)c2ccc(Nc3ccc(C(=O)[O-])c(C)c3)cc21 ZINC001211658554 1041539146 /nfs/dbraw/zinc/53/91/46/1041539146.db2.gz RLTVEPBEHVAPSU-UHFFFAOYSA-N -1 0 336.391 3.835 20 0 EHADRM CC(C)c1ccc(CCC(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])cc1 ZINC000432093772 1041583973 /nfs/dbraw/zinc/58/39/73/1041583973.db2.gz FGMLMDSHOKYFIR-PXNSSMCTSA-N -1 0 331.456 3.892 20 0 EHADRM C[C@@H](c1ccco1)N(C)C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000193783933 1041588923 /nfs/dbraw/zinc/58/89/23/1041588923.db2.gz XTLOZJYQYKCWTC-NSHDSACASA-N -1 0 345.786 3.658 20 0 EHADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)CCC1CCCCC1 ZINC000432114180 1041609647 /nfs/dbraw/zinc/60/96/47/1041609647.db2.gz BBRHYYRGNSIJQZ-GOSISDBHSA-N -1 0 331.456 3.939 20 0 EHADRM Cc1cc(NC(=O)c2cccc(C(=O)[O-])n2)ccc1Oc1cccnc1 ZINC000432116823 1041612538 /nfs/dbraw/zinc/61/25/38/1041612538.db2.gz REONCUWDJQISJZ-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cccc(C)c2)c1 ZINC000047367501 1041622205 /nfs/dbraw/zinc/62/22/05/1041622205.db2.gz IDUPYZPKRIKSRA-UHFFFAOYSA-N -1 0 335.425 3.593 20 0 EHADRM Cc1ccc2nc(C)c(C(=O)N[C@@]3(C)CCCC[C@@H]3C(=O)[O-])cc2c1 ZINC000432132251 1041631731 /nfs/dbraw/zinc/63/17/31/1041631731.db2.gz ANSCSFDFIXSEMX-UZLBHIALSA-N -1 0 340.423 3.615 20 0 EHADRM CCCCc1nnc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)o1 ZINC000194805817 1041662921 /nfs/dbraw/zinc/66/29/21/1041662921.db2.gz BHHDBTOXUJQILV-UHFFFAOYSA-N -1 0 337.445 3.511 20 0 EHADRM Cc1cc(C)cc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000013173797 1041667189 /nfs/dbraw/zinc/66/71/89/1041667189.db2.gz ZFTKYZFKRAIXRJ-MRXNPFEDSA-N -1 0 331.799 3.903 20 0 EHADRM CCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000013173807 1041667485 /nfs/dbraw/zinc/66/74/85/1041667485.db2.gz WXRFHUSQOWTBNY-MRXNPFEDSA-N -1 0 331.799 3.848 20 0 EHADRM CCCCOc1ccc(NC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c(C)c1 ZINC000647693850 1041702143 /nfs/dbraw/zinc/70/21/43/1041702143.db2.gz PDMQVJNZUPYLMF-BBRMVZONSA-N -1 0 348.443 3.748 20 0 EHADRM CCCn1ccc2cc(NC(=O)N3CCC(C)(C(=O)[O-])CC3)ccc21 ZINC000647695728 1041730141 /nfs/dbraw/zinc/73/01/41/1041730141.db2.gz RHBJJAYREDQELI-UHFFFAOYSA-N -1 0 343.427 3.770 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)Nc2cccc(CC(F)(F)F)c2)CC1 ZINC000647696926 1041755467 /nfs/dbraw/zinc/75/54/67/1041755467.db2.gz CLYHTOFFRQRCAK-UHFFFAOYSA-N -1 0 344.333 3.510 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)Nc2cc(C(F)F)ccc2Cl)CC1 ZINC000647697827 1041764686 /nfs/dbraw/zinc/76/46/86/1041764686.db2.gz OQXDUPSFTXJDML-UHFFFAOYSA-N -1 0 346.761 3.996 20 0 EHADRM COC(=O)CCc1ccc(Nc2ccc(C(=O)[O-])c(C)c2)cc1F ZINC001211663377 1041856947 /nfs/dbraw/zinc/85/69/47/1041856947.db2.gz HDUBJKHIEWUPBL-UHFFFAOYSA-N -1 0 331.343 3.682 20 0 EHADRM Cc1cnc(N2CCC(CCC(=O)[O-])CC2)nc1-c1ccccc1F ZINC000662884585 1042189939 /nfs/dbraw/zinc/18/99/39/1042189939.db2.gz WJQQFLRZRWFPCX-UHFFFAOYSA-N -1 0 343.402 3.672 20 0 EHADRM COc1cccc2c(N3CCC[C@@H](CCC(=O)[O-])C3)cc(C)nc12 ZINC000662886916 1042192544 /nfs/dbraw/zinc/19/25/44/1042192544.db2.gz ATCRAEVCJVTYFF-AWEZNQCLSA-N -1 0 328.412 3.633 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(c2ncccc2OCc2ccccc2)C1 ZINC000662887826 1042192785 /nfs/dbraw/zinc/19/27/85/1042192785.db2.gz RXPYERGCZWUWKS-INIZCTEOSA-N -1 0 340.423 3.742 20 0 EHADRM CC(C)[C@H](NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[O-] ZINC000243456568 1042201306 /nfs/dbraw/zinc/20/13/06/1042201306.db2.gz NGJXVKWORLDKHB-JTQLQIEISA-N -1 0 338.713 3.590 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1c1nccc2cc(C(F)(F)F)ccc21 ZINC000662894047 1042203754 /nfs/dbraw/zinc/20/37/54/1042203754.db2.gz RRFQEXDQJMGQRB-JQWIXIFHSA-N -1 0 338.329 3.943 20 0 EHADRM Cc1cc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)ccc1Oc1ccncc1 ZINC000663052684 1042397945 /nfs/dbraw/zinc/39/79/45/1042397945.db2.gz VPCHHCRBPNJNBA-MRXNPFEDSA-N -1 0 342.395 3.868 20 0 EHADRM COc1ccccc1-c1cccc(NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)c1 ZINC000663080032 1042426628 /nfs/dbraw/zinc/42/66/28/1042426628.db2.gz NWEUTSCETNGGPQ-HXUWFJFHSA-N -1 0 339.391 3.802 20 0 EHADRM O=C([O-])C1CCC(C(=O)N[C@H](C2CCCCC2)C(F)(F)F)CC1 ZINC000663116654 1042468005 /nfs/dbraw/zinc/46/80/05/1042468005.db2.gz RYSCHYMVXSHQFS-WXRRBKDZSA-N -1 0 335.366 3.505 20 0 EHADRM Cc1c2ccccc2nc(-c2ccc3c(c2)OCCO3)c1CCC(=O)[O-] ZINC000467003916 1042477453 /nfs/dbraw/zinc/47/74/53/1042477453.db2.gz ZDHUWQSKHIWTTK-UHFFFAOYSA-N -1 0 349.386 3.999 20 0 EHADRM CC[C@@H](OCCN(CC(=O)[O-])Cc1ccc(F)cc1)c1ccccc1 ZINC000652470811 1042490610 /nfs/dbraw/zinc/49/06/10/1042490610.db2.gz KDSWWJFJDQPPTN-LJQANCHMSA-N -1 0 345.414 3.880 20 0 EHADRM CCS[C@H]1CCCCN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000184400122 1042514259 /nfs/dbraw/zinc/51/42/59/1042514259.db2.gz GMLGVLUOKYEGOO-NSHDSACASA-N -1 0 331.840 3.933 20 0 EHADRM Oc1cccc(C=Nn2c(=S)[n-]nc2-c2ccccc2Cl)c1 ZINC000254624484 1042613816 /nfs/dbraw/zinc/61/38/16/1042613816.db2.gz ITYYKSKAESJCPJ-UHFFFAOYSA-N -1 0 330.800 3.849 20 0 EHADRM Cc1ccc(-c2nc(-c3ccc(N4CCCCC4)nc3)no2)c(O)c1 ZINC000184850991 1042621221 /nfs/dbraw/zinc/62/12/21/1042621221.db2.gz DIMOPWQZKXOJQH-UHFFFAOYSA-N -1 0 336.395 3.803 20 0 EHADRM O=C(NCc1nc2ccccc2n1C1CC1)c1ccc([O-])c(Cl)c1 ZINC000185107531 1042625010 /nfs/dbraw/zinc/62/50/10/1042625010.db2.gz PTOAQIFOSUPHHY-UHFFFAOYSA-N -1 0 341.798 3.660 20 0 EHADRM CC1=NN(c2ccc(C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)cc2)CC1 ZINC000236778221 1042637836 /nfs/dbraw/zinc/63/78/36/1042637836.db2.gz REAMUPMBRDBGPQ-NYYWCZLTSA-N -1 0 349.390 3.623 20 0 EHADRM CSCCc1ccccc1[N-]S(=O)(=O)c1cc(C)cs1 ZINC000601979333 1042652721 /nfs/dbraw/zinc/65/27/21/1042652721.db2.gz KKGHTPNDUFYVRT-UHFFFAOYSA-N -1 0 327.496 3.763 20 0 EHADRM O=C(Nc1c(F)cccc1N1CCCC1)c1cc(F)c([O-])c(F)c1 ZINC000186772920 1042706083 /nfs/dbraw/zinc/70/60/83/1042706083.db2.gz WPFSSGXSXMTKKP-UHFFFAOYSA-N -1 0 336.313 3.662 20 0 EHADRM CCCn1ccc2ccc(NC(=O)NC[C@H](C(=O)[O-])C3CCC3)cc21 ZINC000663347863 1042735598 /nfs/dbraw/zinc/73/55/98/1042735598.db2.gz YJADKEFPTCWNQO-INIZCTEOSA-N -1 0 343.427 3.674 20 0 EHADRM Cc1c(Cl)cc(F)c(NC(=O)NC[C@H](C(=O)[O-])C2CCC2)c1F ZINC000663351458 1042741187 /nfs/dbraw/zinc/74/11/87/1042741187.db2.gz LQIYIKRIJYNJOU-VIFPVBQESA-N -1 0 346.761 3.549 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)c2ccccc2SC)n1 ZINC000187019553 1042744221 /nfs/dbraw/zinc/74/42/21/1042744221.db2.gz LPKIZRZTOAYEOA-UHFFFAOYSA-N -1 0 328.484 3.618 20 0 EHADRM O=C([O-])CC1(CC(=O)N[C@H](c2ccco2)c2ccccc2)CCC1 ZINC000643341273 1042835807 /nfs/dbraw/zinc/83/58/07/1042835807.db2.gz CIFQXKXPIKKBHS-SFHVURJKSA-N -1 0 327.380 3.520 20 0 EHADRM O=C([O-])CC1(CC(=O)N[C@@H](c2ccco2)c2ccccc2)CCC1 ZINC000643341272 1042835945 /nfs/dbraw/zinc/83/59/45/1042835945.db2.gz CIFQXKXPIKKBHS-GOSISDBHSA-N -1 0 327.380 3.520 20 0 EHADRM Cc1ccc(CCCC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)s1 ZINC000653331076 1042867914 /nfs/dbraw/zinc/86/79/14/1042867914.db2.gz MPDQUHHTVQJHIP-IRXDYDNUSA-N -1 0 343.448 3.809 20 0 EHADRM CC(C)[C@H](C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC000653332435 1042978792 /nfs/dbraw/zinc/97/87/92/1042978792.db2.gz CEMPUWIJVKPWBN-FHWLQOOXSA-N -1 0 337.419 3.856 20 0 EHADRM C[C@@H](NCc1sccc1Br)c1ncc(C(=O)[O-])s1 ZINC000314712661 1042980756 /nfs/dbraw/zinc/98/07/56/1042980756.db2.gz WRIHBEZPTVPJIE-ZCFIWIBFSA-N -1 0 347.259 3.516 20 0 EHADRM CC(C)Oc1ccc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000653333122 1042981122 /nfs/dbraw/zinc/98/11/22/1042981122.db2.gz LKLFMWKZUBNLEW-MSOLQXFVSA-N -1 0 339.391 3.517 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000585810306 1043086181 /nfs/dbraw/zinc/08/61/81/1043086181.db2.gz MRNKFTJVRGNPCB-MSOLQXFVSA-N -1 0 349.386 3.523 20 0 EHADRM CS[C@@H]1CCC[C@@H](Nc2ncnc3sc(C(=O)[O-])c(C)c32)C1 ZINC000318679033 1043111579 /nfs/dbraw/zinc/11/15/79/1043111579.db2.gz XFGGPYVZOHQHNG-NXEZZACHSA-N -1 0 337.470 3.784 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)c2ccc(C(C)(F)F)cc2)s1 ZINC000432416756 1043129046 /nfs/dbraw/zinc/12/90/46/1043129046.db2.gz SBFVWRRRUKFTQM-UHFFFAOYSA-N -1 0 325.384 3.622 20 0 EHADRM Cc1cc(-c2n[n-]c(=NCc3nc4ccc(F)cc4s3)o2)c(C)o1 ZINC000432429680 1043191133 /nfs/dbraw/zinc/19/11/33/1043191133.db2.gz QFTCXBSKQSTYCD-UHFFFAOYSA-N -1 0 344.371 3.729 20 0 EHADRM CCCCC[C@@H](NC(=O)c1cc(Br)ccc1C)C(=O)[O-] ZINC000236834985 1043615774 /nfs/dbraw/zinc/61/57/74/1043615774.db2.gz JRQAGGNWNXRYRL-CYBMUJFWSA-N -1 0 342.233 3.521 20 0 EHADRM CC(C)c1ccsc1C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653335570 1043739671 /nfs/dbraw/zinc/73/96/71/1043739671.db2.gz RSNLZSLEJHWQBE-HUUCEWRRSA-N -1 0 329.421 3.915 20 0 EHADRM CC(C)c1ccc(SCC(=O)Nc2n[nH]c(C(F)(F)F)n2)cc1 ZINC000051266217 1044473102 /nfs/dbraw/zinc/47/31/02/1044473102.db2.gz NELFWPLTUDBDDK-UHFFFAOYSA-N -1 0 344.362 3.678 20 0 EHADRM C[C@@H](c1cccs1)N(C)C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000344866420 1044554481 /nfs/dbraw/zinc/55/44/81/1044554481.db2.gz OJRDRNKWBLZXBA-NSHDSACASA-N -1 0 345.399 3.612 20 0 EHADRM CC[C@@H]1Cc2ccccc2CN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000345015399 1044821717 /nfs/dbraw/zinc/82/17/17/1044821717.db2.gz PJTDYBZQCJIZSL-QGZVFWFLSA-N -1 0 347.418 3.555 20 0 EHADRM CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000620431574 1125570558 /nfs/dbraw/zinc/57/05/58/1125570558.db2.gz DQLTXPIBHKSCBQ-PHTAMDTFSA-N -1 0 345.830 3.634 20 0 EHADRM CN(C[C@H]1CCc2ccccc21)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000620687213 1125645340 /nfs/dbraw/zinc/64/53/40/1125645340.db2.gz NMGOSEBFLZCSCW-GFCCVEGCSA-N -1 0 333.790 3.987 20 0 EHADRM CC[C@H](CN(CC)C(=O)c1n[n-]c2ccccc2c1=O)c1ccccc1 ZINC000185150402 1126781576 /nfs/dbraw/zinc/78/15/76/1126781576.db2.gz SFAIWNXCGMKRIB-OAHLLOKOSA-N -1 0 349.434 3.579 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2cc3cc(F)ccc3s2)cc1 ZINC000336864101 1126812916 /nfs/dbraw/zinc/81/29/16/1126812916.db2.gz DMYNOSZIYRTKPD-UHFFFAOYSA-N -1 0 329.352 3.920 20 0 EHADRM COc1cc(NC(=O)[C@H]2CCCc3sccc32)ccc1C(=O)[O-] ZINC000336871796 1126813219 /nfs/dbraw/zinc/81/32/19/1126813219.db2.gz INNLMQGFQKISAH-LBPRGKRZSA-N -1 0 331.393 3.514 20 0 EHADRM Cc1c(Cl)c(CN2CCC[C@@H](C)[C@H]2C(=O)[O-])nc2ccccc12 ZINC000336874344 1126813762 /nfs/dbraw/zinc/81/37/62/1126813762.db2.gz YRGJUKLUTIYBQR-DIFFPNOSSA-N -1 0 332.831 3.882 20 0 EHADRM CC(C)(CC(F)F)C(=O)N=c1ccc(-c2ccc(Cl)s2)n[n-]1 ZINC000622929628 1126834251 /nfs/dbraw/zinc/83/42/51/1126834251.db2.gz WWZQXQBNKBAUAC-UHFFFAOYSA-N -1 0 345.802 3.900 20 0 EHADRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(C)nc2ccccc21 ZINC000185250876 1126837591 /nfs/dbraw/zinc/83/75/91/1126837591.db2.gz KSBZILNTQPCCKE-KRWDZBQOSA-N -1 0 337.423 3.562 20 0 EHADRM O=C(CCc1ccoc1)Nc1cc(Cl)cc(Br)c1[O-] ZINC000175554813 1126872838 /nfs/dbraw/zinc/87/28/38/1126872838.db2.gz DKIAJCSBAKUOQR-UHFFFAOYSA-N -1 0 344.592 3.972 20 0 EHADRM CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000072860802 1126908219 /nfs/dbraw/zinc/90/82/19/1126908219.db2.gz DBYZWICVYCNMSR-UHFFFAOYSA-N -1 0 338.392 3.639 20 0 EHADRM O=S(=O)([N-]c1ccc2[nH]c(C3CCC3)nc2c1)c1cccs1 ZINC000176582053 1126939237 /nfs/dbraw/zinc/93/92/37/1126939237.db2.gz UQGPQRGKUSUCHS-UHFFFAOYSA-N -1 0 333.438 3.693 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2)c1Cl ZINC000181135066 1127267481 /nfs/dbraw/zinc/26/74/81/1127267481.db2.gz JHRPYLPECCZZCC-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C)c2F)cc1Cl ZINC000181197068 1127269562 /nfs/dbraw/zinc/26/95/62/1127269562.db2.gz CDQQQNYPKCAPOM-UHFFFAOYSA-N -1 0 341.791 3.791 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ncccc2-c2ccccc2)c(C)o1 ZINC000183143363 1127364549 /nfs/dbraw/zinc/36/45/49/1127364549.db2.gz OEYRMJRMNAEHNZ-UHFFFAOYSA-N -1 0 328.393 3.759 20 0 EHADRM C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H]1CCC(C)(C)c2ccccc21 ZINC000184366939 1127403049 /nfs/dbraw/zinc/40/30/49/1127403049.db2.gz XYAUSKOPDKLYCM-ZWNOBZJWSA-N -1 0 335.391 3.669 20 0 EHADRM O=C(Nc1cccc(OC(F)F)c1)c1cc(F)c(F)c([O-])c1F ZINC000185105283 1127420693 /nfs/dbraw/zinc/42/06/93/1127420693.db2.gz JDBRIWGRPJUTON-UHFFFAOYSA-N -1 0 333.212 3.663 20 0 EHADRM CC[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1)c1ccc(F)cc1 ZINC000764785483 1127533611 /nfs/dbraw/zinc/53/36/11/1127533611.db2.gz ZITCDQUDWBABBA-GUYCJALGSA-N -1 0 349.427 3.527 20 0 EHADRM CCn1cc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cn1 ZINC000024577318 1127708012 /nfs/dbraw/zinc/70/80/12/1127708012.db2.gz GIKWSFIFJLZCNS-UHFFFAOYSA-N -1 0 333.457 3.752 20 0 EHADRM CCc1cnc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)o1 ZINC000671668392 1127797909 /nfs/dbraw/zinc/79/79/09/1127797909.db2.gz KQYNSMUTRMHLOW-UHFFFAOYSA-N -1 0 328.393 3.705 20 0 EHADRM O=C(NCCc1cccc2cccnc21)c1ccc([O-])c(Cl)c1 ZINC000032064772 1127845699 /nfs/dbraw/zinc/84/56/99/1127845699.db2.gz CJFJJYKLGNCATI-UHFFFAOYSA-N -1 0 326.783 3.566 20 0 EHADRM O=S(=O)([N-]c1ccc2c[nH]nc2c1)c1cc(Cl)sc1Cl ZINC000032532037 1127853016 /nfs/dbraw/zinc/85/30/16/1127853016.db2.gz CCUVWZCBCXCCTI-UHFFFAOYSA-N -1 0 348.236 3.732 20 0 EHADRM CCCCOc1cccc(CN=c2[n-]nc(C3CCOCC3)s2)c1 ZINC000338647329 1127973653 /nfs/dbraw/zinc/97/36/53/1127973653.db2.gz FOHFSMQRYHWMDG-UHFFFAOYSA-N -1 0 347.484 3.645 20 0 EHADRM Cc1ccc(NCc2ccc(C(=O)[O-])o2)c(OCC(F)(F)F)c1 ZINC000902167675 1128018683 /nfs/dbraw/zinc/01/86/83/1128018683.db2.gz MGXDDYPYPRQUOE-UHFFFAOYSA-N -1 0 329.274 3.839 20 0 EHADRM CC(C)[C@H](Sc1ccccc1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000347515164 1128029856 /nfs/dbraw/zinc/02/98/56/1128029856.db2.gz JWAQSVMFCOKHHF-QAPCUYQASA-N -1 0 349.496 3.907 20 0 EHADRM CCCc1ccc(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)cc1 ZINC000027609585 1128076406 /nfs/dbraw/zinc/07/64/06/1128076406.db2.gz CZDWSXCZNXEICH-UHFFFAOYSA-N -1 0 327.409 3.586 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)c(F)c1)c1c(F)cc(F)cc1F ZINC000060443299 1128102520 /nfs/dbraw/zinc/10/25/20/1128102520.db2.gz AZFNQXISUVWORV-UHFFFAOYSA-N -1 0 339.697 3.697 20 0 EHADRM CC(C)OCc1cccc(NC(=O)CC2(C(=O)[O-])CCCCC2)c1 ZINC000063640261 1128150652 /nfs/dbraw/zinc/15/06/52/1128150652.db2.gz ZRQZQWIJNCWZRO-UHFFFAOYSA-N -1 0 333.428 3.975 20 0 EHADRM O=S(=O)([N-]c1nc2cc(F)c(F)cc2s1)c1cccc(F)c1 ZINC000066254345 1128212145 /nfs/dbraw/zinc/21/21/45/1128212145.db2.gz DXBQFODJOHAUKE-UHFFFAOYSA-N -1 0 344.339 3.514 20 0 EHADRM N#Cc1ccc(C(=O)[O-])nc1/C=C/c1cnc(-c2ccccc2)s1 ZINC000066255918 1128212291 /nfs/dbraw/zinc/21/22/91/1128212291.db2.gz DHOUBOAXSFUSAX-VQHVLOKHSA-N -1 0 333.372 3.945 20 0 EHADRM CC(C)Oc1ccc(F)cc1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000066965568 1128230997 /nfs/dbraw/zinc/23/09/97/1128230997.db2.gz PWMJGNAVEYDSPS-UHFFFAOYSA-N -1 0 337.391 3.977 20 0 EHADRM CCOc1ccc(C#N)cc1NC(=O)CC1(CC(=O)[O-])CCCCC1 ZINC000067456699 1128241251 /nfs/dbraw/zinc/24/12/51/1128241251.db2.gz SDYKRMUOWCGJSS-UHFFFAOYSA-N -1 0 344.411 3.711 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC000072760941 1128304948 /nfs/dbraw/zinc/30/49/48/1128304948.db2.gz FFELXHQBEPTFCC-UHFFFAOYSA-N -1 0 347.362 3.592 20 0 EHADRM COCc1csc(CN=c2nc(-c3ccccc3C)[n-]s2)c1 ZINC000624398396 1128348691 /nfs/dbraw/zinc/34/86/91/1128348691.db2.gz FTDJSLYWJVGAFP-UHFFFAOYSA-N -1 0 331.466 3.755 20 0 EHADRM CCCC[C@@H](CCC)CNC(=O)CSc1n[n-]c(=S)s1 ZINC000084826199 1128381542 /nfs/dbraw/zinc/38/15/42/1128381542.db2.gz BJNIETCIGMCHJC-SNVBAGLBSA-N -1 0 333.548 3.642 20 0 EHADRM O=C([N-]S(=O)(=O)CC1CC1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000073537440 1128393280 /nfs/dbraw/zinc/39/32/80/1128393280.db2.gz OIIMWIMWVDEBFK-UHFFFAOYSA-N -1 0 341.860 3.848 20 0 EHADRM O=C([N-]S(=O)(=O)CC1CC1)c1ccc(Oc2ccccc2)cc1 ZINC000073539176 1128395781 /nfs/dbraw/zinc/39/57/81/1128395781.db2.gz VBERLROJLRLZEL-UHFFFAOYSA-N -1 0 331.393 3.523 20 0 EHADRM O=C([N-]S(=O)(=O)C1CCCCC1)c1csc2c1CCCC2 ZINC000058072748 1128456127 /nfs/dbraw/zinc/45/61/27/1128456127.db2.gz OINBSKAQIUTTGD-UHFFFAOYSA-N -1 0 327.471 3.594 20 0 EHADRM CC(C)Oc1ccc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000055149596 1128506686 /nfs/dbraw/zinc/50/66/86/1128506686.db2.gz YLHLZLHNBYKOIS-QGZVFWFLSA-N -1 0 327.380 3.671 20 0 EHADRM Cc1nc([N-]S(=O)(=O)c2cccs2)sc1-c1ccccc1 ZINC000073636636 1128522883 /nfs/dbraw/zinc/52/28/83/1128522883.db2.gz PDQJKMVNNGVRPB-UHFFFAOYSA-N -1 0 336.463 3.981 20 0 EHADRM O=C(N=c1nc(-c2ccccc2Cl)[n-]s1)NCC1(C2CC2)CC1 ZINC000542729022 1128562038 /nfs/dbraw/zinc/56/20/38/1128562038.db2.gz OEKOXMIEKQXGKG-UHFFFAOYSA-N -1 0 348.859 3.592 20 0 EHADRM C[C@@H](Nc1nccc(Oc2ccccc2)n1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656092802 1128734770 /nfs/dbraw/zinc/73/47/70/1128734770.db2.gz RCYQPDHJPYGHMZ-VHDGCEQUSA-N -1 0 341.411 3.816 20 0 EHADRM Nc1ccc(Cl)cc1Nc1cc(S(=O)(=O)[O-])ccc1Cl ZINC001212441658 1128805779 /nfs/dbraw/zinc/80/57/79/1128805779.db2.gz SGOPPHGVPIYMLV-UHFFFAOYSA-N -1 0 333.196 3.566 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000656237440 1128829206 /nfs/dbraw/zinc/82/92/06/1128829206.db2.gz VBQIHWRBTIKHJG-VIFPVBQESA-N -1 0 330.211 3.600 20 0 EHADRM C[C@@H](N=c1[n-]nc(C(F)F)o1)c1ccc(F)c(Br)c1 ZINC000338753075 1128856974 /nfs/dbraw/zinc/85/69/74/1128856974.db2.gz IRWMBQHQDLKNMQ-RXMQYKEDSA-N -1 0 336.111 3.504 20 0 EHADRM O=S(=O)([N-]c1cnc2c(c1)CCCC2)c1ccc2ccccc2c1 ZINC000542931497 1128862142 /nfs/dbraw/zinc/86/21/42/1128862142.db2.gz CMHNGKVRNDNRON-UHFFFAOYSA-N -1 0 338.432 3.914 20 0 EHADRM COCc1ccc(NC(=O)c2ccc(F)cc2[O-])cc1C(F)(F)F ZINC001648904769 1120065463 /nfs/dbraw/zinc/06/54/63/1120065463.db2.gz IPNNBKQYCKYZCE-UHFFFAOYSA-N -1 0 343.276 3.949 20 0 EHADRM CCc1oc(C(=O)N[C@@H](CC)c2ccc(F)cc2F)cc1C(=O)[O-] ZINC000261630503 1120106595 /nfs/dbraw/zinc/10/65/95/1120106595.db2.gz JMVCXAUASLLNIB-ZDUSSCGKSA-N -1 0 337.322 3.700 20 0 EHADRM COc1cccc(CNC(=O)c2c([O-])cc(Cl)cc2Cl)c1C ZINC001648933728 1120238221 /nfs/dbraw/zinc/23/82/21/1120238221.db2.gz HVBMYRJLMBNIDV-UHFFFAOYSA-N -1 0 340.206 3.946 20 0 EHADRM C[C@H](O)[C@@H](NC(=O)c1c([O-])cc(Cl)cc1Cl)c1ccccc1 ZINC001648938698 1120238448 /nfs/dbraw/zinc/23/84/48/1120238448.db2.gz CZSOSUAPSFXKMC-BJOHPYRUSA-N -1 0 340.206 3.551 20 0 EHADRM CO[C@H](CNC(=O)c1c([O-])cc(Cl)cc1Cl)C1CCCC1 ZINC001648935742 1120238760 /nfs/dbraw/zinc/23/87/60/1120238760.db2.gz CTAHCMQYWNAKMM-CYBMUJFWSA-N -1 0 332.227 3.634 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)Cc2ccc(CC(C)C)cc2)c1 ZINC000512548861 1120249191 /nfs/dbraw/zinc/24/91/91/1120249191.db2.gz INXNXMXBPDWQQF-UHFFFAOYSA-N -1 0 325.408 3.975 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccn2)s1 ZINC000355284699 1128910296 /nfs/dbraw/zinc/91/02/96/1128910296.db2.gz NGEDYLAPANALOW-UHFFFAOYSA-N -1 0 336.360 3.525 20 0 EHADRM CC[C@@H](NCc1ccc(-c2ccc(C)cc2)o1)c1nc(C(=O)[O-])c[nH]1 ZINC000904065947 1120351722 /nfs/dbraw/zinc/35/17/22/1120351722.db2.gz WHWRNWBEMWHTQX-OAHLLOKOSA-N -1 0 339.395 3.917 20 0 EHADRM O=S(=O)([N-]c1ccc2scnc2c1)c1c[nH]c2cccc(F)c21 ZINC000185225200 1120404544 /nfs/dbraw/zinc/40/45/44/1120404544.db2.gz IQDLLYTUFGGMNV-UHFFFAOYSA-N -1 0 347.396 3.718 20 0 EHADRM Cc1ncc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)s1 ZINC000494493047 1120572464 /nfs/dbraw/zinc/57/24/64/1120572464.db2.gz JIJRFMLOSPAVOB-UHFFFAOYSA-N -1 0 344.461 3.843 20 0 EHADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)C[C@@H](C)c1ccccc1 ZINC000494498148 1120573243 /nfs/dbraw/zinc/57/32/43/1120573243.db2.gz VNEYXKCYKHKBNC-GFCCVEGCSA-N -1 0 339.844 3.894 20 0 EHADRM CSc1[n-]c(=O)c(C(=O)NCCCCCCC(C)C)cc1C#N ZINC000031913939 1120582190 /nfs/dbraw/zinc/58/21/90/1120582190.db2.gz NLLBODCQVYQXCX-UHFFFAOYSA-N -1 0 335.473 3.717 20 0 EHADRM CCC[C@H](C)N(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O ZINC000494555346 1120593114 /nfs/dbraw/zinc/59/31/14/1120593114.db2.gz QAXHZEQARDBVKI-LBPRGKRZSA-N -1 0 336.432 4.000 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2cccc3ccn(C)c32)cc1 ZINC000190857054 1120652173 /nfs/dbraw/zinc/65/21/73/1120652173.db2.gz VMDGUSMDPJGXPU-UHFFFAOYSA-N -1 0 332.450 3.701 20 0 EHADRM CC(C)c1nnc([N-]S(=O)(=O)c2ccccc2C(C)C)s1 ZINC000190992713 1120657386 /nfs/dbraw/zinc/65/73/86/1120657386.db2.gz QDOQKQBVVOIWJR-UHFFFAOYSA-N -1 0 325.459 3.586 20 0 EHADRM O=C(Nc1ccc(OC(F)F)cc1)c1cc(F)c(F)c([O-])c1F ZINC000193913889 1120807894 /nfs/dbraw/zinc/80/78/94/1120807894.db2.gz GSWCBLWXWOYRQR-UHFFFAOYSA-N -1 0 333.212 3.663 20 0 EHADRM CS[C@H]1CCC[C@@H](NC(=O)c2cc(Br)ccc2O)C1 ZINC000227355346 1120877486 /nfs/dbraw/zinc/87/74/86/1120877486.db2.gz PHMURVKOMLEAHR-MNOVXSKESA-N -1 0 344.274 3.559 20 0 EHADRM Cc1nc(O[C@@H](C)c2c(F)cccc2F)c(Br)c(=O)[n-]1 ZINC001234572048 1120879078 /nfs/dbraw/zinc/87/90/78/1120879078.db2.gz JMIOFTSBMZDUKV-LURJTMIESA-N -1 0 345.143 3.671 20 0 EHADRM COc1cc(CN(C)c2nc(C)c(C(=O)[O-])s2)ccc1SC ZINC000900934978 1120928885 /nfs/dbraw/zinc/92/88/85/1120928885.db2.gz NNKHUYCUGREPKE-UHFFFAOYSA-N -1 0 338.454 3.517 20 0 EHADRM COc1ccc(NC(=O)c2c([O-])cccc2F)cc1Br ZINC000228849007 1120940549 /nfs/dbraw/zinc/94/05/49/1120940549.db2.gz PZEHHVQAOYVDCE-UHFFFAOYSA-N -1 0 340.148 3.555 20 0 EHADRM Cc1ccc2c(Cc3noc(-c4cc5c(cc4O)OCO5)n3)c[nH]c2c1 ZINC000761900836 1121004333 /nfs/dbraw/zinc/00/43/33/1121004333.db2.gz HVDRFVADXWURBT-UHFFFAOYSA-N -1 0 349.346 3.551 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC000235514467 1121410639 /nfs/dbraw/zinc/41/06/39/1121410639.db2.gz ZUSWBVMLEAMIBH-AEJSXWLSSA-N -1 0 330.211 3.672 20 0 EHADRM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1c([O-])cc(F)cc1F ZINC000077108669 1128989530 /nfs/dbraw/zinc/98/95/30/1128989530.db2.gz TWLXXUWHELHVLG-ZYHUDNBSSA-N -1 0 335.325 3.828 20 0 EHADRM Cc1ccc(-c2nnc(COC(=O)c3ccc([O-])c(Cl)c3)o2)cc1 ZINC000762831027 1121452958 /nfs/dbraw/zinc/45/29/58/1121452958.db2.gz QSKDWIFAPSVUPQ-UHFFFAOYSA-N -1 0 344.754 3.761 20 0 EHADRM CC(C)[C@@H](C)CC(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000236657923 1121459958 /nfs/dbraw/zinc/45/99/58/1121459958.db2.gz NUZHBQUYLUWFAU-HNAYVOBHSA-N -1 0 341.451 3.882 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc(OCc2ccccc2)cc1 ZINC000236935504 1121469051 /nfs/dbraw/zinc/46/90/51/1121469051.db2.gz YESGUPXEZAOULD-HNNXBMFYSA-N -1 0 341.407 3.591 20 0 EHADRM CCc1cc(C(=O)NC[C@H](Cc2cccc(C)c2)C(=O)[O-])sc1C ZINC000237122185 1121474289 /nfs/dbraw/zinc/47/42/89/1121474289.db2.gz VEKXDRRYKSLHKC-INIZCTEOSA-N -1 0 345.464 3.601 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000238056604 1121501063 /nfs/dbraw/zinc/50/10/63/1121501063.db2.gz QXHCMGOGPMTTPT-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)c2sc3ccccc3c2Cl)CC1 ZINC000316708956 1121598509 /nfs/dbraw/zinc/59/85/09/1121598509.db2.gz RGCHIQANHMNZDX-UHFFFAOYSA-N -1 0 337.828 3.882 20 0 EHADRM CC[C@@H](NC(=O)Cc1ccccc1C(=O)[O-])c1ccc(Cl)cc1 ZINC000322470651 1121652134 /nfs/dbraw/zinc/65/21/34/1121652134.db2.gz KVHINJNWMJNIOV-MRXNPFEDSA-N -1 0 331.799 3.848 20 0 EHADRM CSCc1ccc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1 ZINC000609231923 1121768048 /nfs/dbraw/zinc/76/80/48/1121768048.db2.gz VATHLBDAIFIAFQ-UHFFFAOYSA-N -1 0 347.383 3.768 20 0 EHADRM Cc1cc(=O)[nH]c(CSCc2ccc(SC(=O)N(C)C)cc2)n1 ZINC000763213479 1121890554 /nfs/dbraw/zinc/89/05/54/1121890554.db2.gz SQMXRWVKRXXNQK-UHFFFAOYSA-N -1 0 349.481 3.698 20 0 EHADRM CCc1noc(C)c1C(=O)Nc1nnc(-c2ccccc2Cl)s1 ZINC000056248860 1121895155 /nfs/dbraw/zinc/89/51/55/1121895155.db2.gz UGNPPQHGRGUFFN-UHFFFAOYSA-N -1 0 348.815 3.970 20 0 EHADRM CC(C)COc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1 ZINC000326662507 1121973265 /nfs/dbraw/zinc/97/32/65/1121973265.db2.gz FUZVILFOPYPJTN-NJAFHUGGSA-N -1 0 345.439 3.579 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc(F)cc2OCC2CC2)CCCCC1 ZINC000077411232 1129026496 /nfs/dbraw/zinc/02/64/96/1129026496.db2.gz IWYMVZITYRYLEY-UHFFFAOYSA-N -1 0 349.402 3.978 20 0 EHADRM CC(C)[C@@H]([N-]S(=O)(=O)c1cscc1C(F)F)C(F)(F)F ZINC000916347398 1122132978 /nfs/dbraw/zinc/13/29/78/1122132978.db2.gz OSBFVODOBKFHHZ-MRVPVSSYSA-N -1 0 337.335 3.551 20 0 EHADRM O=C(c1c(F)ccc(O)c1F)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000496673764 1122151774 /nfs/dbraw/zinc/15/17/74/1122151774.db2.gz YJDLEDOKVUPETN-NSHDSACASA-N -1 0 337.753 3.954 20 0 EHADRM Cc1ccc(Br)c(S(=O)(=O)[N-]c2cccc(F)c2)c1 ZINC000123772834 1122263982 /nfs/dbraw/zinc/26/39/82/1122263982.db2.gz PVRPCVMWRYIDBV-UHFFFAOYSA-N -1 0 344.205 3.697 20 0 EHADRM COc1cccc(C(C)(C)CNC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000124499345 1122286424 /nfs/dbraw/zinc/28/64/24/1122286424.db2.gz QUVGOLDWXCBZSL-UHFFFAOYSA-N -1 0 333.815 3.762 20 0 EHADRM O=S(=O)([N-]c1ccc2ncsc2c1)c1c(F)cccc1Cl ZINC000125534066 1122320204 /nfs/dbraw/zinc/32/02/04/1122320204.db2.gz OQOPOFSQOBJZGW-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c(C)n1 ZINC000128701913 1122650489 /nfs/dbraw/zinc/65/04/89/1122650489.db2.gz VPQZYIBYRXRITC-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CC[C@@H]3C(C)C)n2)c1 ZINC000497909937 1122699087 /nfs/dbraw/zinc/69/90/87/1122699087.db2.gz VYRJTJQLNNSCFO-MRXNPFEDSA-N -1 0 327.428 3.572 20 0 EHADRM O=S(=O)([N-]c1ccc(OCC2CC2)cc1)c1cccc(F)c1F ZINC000497944304 1122709624 /nfs/dbraw/zinc/70/96/24/1122709624.db2.gz NXNXDWZFSPSHTB-UHFFFAOYSA-N -1 0 339.363 3.554 20 0 EHADRM Cc1cccc(C2(CNC(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)CCCC2)c1 ZINC000262679640 1122712838 /nfs/dbraw/zinc/71/28/38/1122712838.db2.gz ACLWUTUFRMGNRF-QAQDUYKDSA-N -1 0 343.467 3.814 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c1C ZINC000262703217 1122736346 /nfs/dbraw/zinc/73/63/46/1122736346.db2.gz ISCMJSYVZFXXCJ-BQFCYCMXSA-N -1 0 329.440 3.858 20 0 EHADRM CC[C@H](NC(=O)c1cc(F)cc(Cl)c1[O-])c1c(C)noc1C ZINC000129721129 1122838325 /nfs/dbraw/zinc/83/83/25/1122838325.db2.gz NULRUHVGWSULQF-LBPRGKRZSA-N -1 0 326.755 3.671 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)Nc2cccc(SC(F)F)c2)CC1 ZINC000262761947 1122871950 /nfs/dbraw/zinc/87/19/50/1122871950.db2.gz ZUVAPTZTBUJMSD-MGCOHNPYSA-N -1 0 329.368 3.831 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2F)cc1F ZINC000556349822 1122939599 /nfs/dbraw/zinc/93/95/99/1122939599.db2.gz VBZVCSXPTGPGOY-UHFFFAOYSA-N -1 0 347.770 3.818 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)c(Cl)cn1)c1cc2ccccc2o1 ZINC000131618355 1123150854 /nfs/dbraw/zinc/15/08/54/1123150854.db2.gz WDIBCXIYBVULQG-UHFFFAOYSA-N -1 0 343.191 3.935 20 0 EHADRM CCC[C@H](NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)c1ccccc1 ZINC000072847574 1123168286 /nfs/dbraw/zinc/16/82/86/1123168286.db2.gz XGPRXYMQJYLYLD-SFHVURJKSA-N -1 0 349.434 3.745 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC(C)(C)CC3)n2)cc1 ZINC000499101010 1123221151 /nfs/dbraw/zinc/22/11/51/1123221151.db2.gz MMMNPZVMMFRISE-UHFFFAOYSA-N -1 0 341.455 3.964 20 0 EHADRM CC(C)(C(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000499196529 1123267992 /nfs/dbraw/zinc/26/79/92/1123267992.db2.gz YFRRLXOHAKXJSC-UHFFFAOYSA-N -1 0 347.798 3.720 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cccc(-c3cccs3)c2)CC[C@@H]1C(=O)[O-] ZINC000630560080 1123268740 /nfs/dbraw/zinc/26/87/40/1123268740.db2.gz HEUQHJLAXQBMCD-DOMZBBRYSA-N -1 0 344.436 3.990 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000132771779 1123299260 /nfs/dbraw/zinc/29/92/60/1123299260.db2.gz QQVYLVSXNPJBMZ-IBGZPJMESA-N -1 0 336.366 3.578 20 0 EHADRM CCCCCc1nnc(NC(=O)c2c([O-])cccc2Cl)s1 ZINC000920438808 1123373938 /nfs/dbraw/zinc/37/39/38/1123373938.db2.gz NUJOVVZNQLBXNW-UHFFFAOYSA-N -1 0 325.821 3.882 20 0 EHADRM O=C(Nc1nnc(-c2ccccc2)s1)c1c([O-])cccc1Cl ZINC000920439421 1123374076 /nfs/dbraw/zinc/37/40/76/1123374076.db2.gz XVIVDHFFIYMWSP-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM COCc1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2C)cc(C(=O)[O-])c1 ZINC000263129028 1123441992 /nfs/dbraw/zinc/44/19/92/1123441992.db2.gz SMUICWJNNKBDMQ-ZWKOTPCHSA-N -1 0 339.391 3.582 20 0 EHADRM CN(Cc1ccccc1N1CCCC1)C(=O)c1c([O-])cc(F)cc1F ZINC000066042451 1129125718 /nfs/dbraw/zinc/12/57/18/1129125718.db2.gz FWHDKDBQGJPZJI-UHFFFAOYSA-N -1 0 346.377 3.543 20 0 EHADRM COc1ccc([C@H](NC(=O)CC2(C(=O)[O-])CCCC2)C(C)C)cc1 ZINC000013468893 1129127427 /nfs/dbraw/zinc/12/74/27/1129127427.db2.gz MBMWAUGHDDKTJM-QGZVFWFLSA-N -1 0 333.428 3.544 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2ccc(CCCC(=O)[O-])cc2)c(C)c1 ZINC000134618394 1123536584 /nfs/dbraw/zinc/53/65/84/1123536584.db2.gz LUMUDXQXHSEIQB-UHFFFAOYSA-N -1 0 347.436 3.512 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)[C@H]2C[C@H]2c2c(F)cccc2Cl)cc1 ZINC000238123034 1123564109 /nfs/dbraw/zinc/56/41/09/1123564109.db2.gz SEVPZTQIHVSQHV-OLZOCXBDSA-N -1 0 347.773 3.597 20 0 EHADRM COc1cccc2sc(NC(=O)c3ccc([O-])c(Cl)c3)nc21 ZINC000078269114 1123613838 /nfs/dbraw/zinc/61/38/38/1123613838.db2.gz NUIDKIFGKKYLAU-UHFFFAOYSA-N -1 0 334.784 3.916 20 0 EHADRM C[C@@H](Sc1n[n-]c(=Nc2ccccc2)s1)C(=O)OC(C)(C)C ZINC000609960795 1123697483 /nfs/dbraw/zinc/69/74/83/1123697483.db2.gz CVLGXQOTJLIBKA-SNVBAGLBSA-N -1 0 337.470 3.526 20 0 EHADRM Cc1ccc(F)cc1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000064697426 1123720764 /nfs/dbraw/zinc/72/07/64/1123720764.db2.gz FTPZWQNYQQCLOD-UHFFFAOYSA-N -1 0 345.754 3.620 20 0 EHADRM Cc1ccc(CC(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2F)s1 ZINC000064698491 1123725060 /nfs/dbraw/zinc/72/50/60/1123725060.db2.gz KXKZPCUHRHQFCN-UHFFFAOYSA-N -1 0 347.820 3.737 20 0 EHADRM COCc1csc(NC(=O)c2c([O-])cc(Cl)cc2Cl)n1 ZINC000080028466 1123735816 /nfs/dbraw/zinc/73/58/16/1123735816.db2.gz DZBCADBZONDIBH-UHFFFAOYSA-N -1 0 333.196 3.554 20 0 EHADRM O=S(=O)(Cc1ccc2ccccc2c1)[N-][C@H](C1CC1)C(F)(F)F ZINC000564354487 1123744694 /nfs/dbraw/zinc/74/46/94/1123744694.db2.gz CYEMLEMUKZEYGQ-OAHLLOKOSA-N -1 0 343.370 3.600 20 0 EHADRM COc1ccccc1CN(C(=O)c1ccc([O-])c(Cl)c1)C1CC1 ZINC000080388764 1123753126 /nfs/dbraw/zinc/75/31/26/1123753126.db2.gz VRTPBAKXWLAUPU-UHFFFAOYSA-N -1 0 331.799 3.859 20 0 EHADRM CC[C@@H](C)n1nc(C(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)cc1C ZINC000615280432 1123770908 /nfs/dbraw/zinc/77/09/08/1123770908.db2.gz DXZNWDXWSLLWMX-LLVKDONJSA-N -1 0 339.399 3.511 20 0 EHADRM CC(C)Oc1ccc(C(=O)N=c2[n-]nc(-c3ccsc3)s2)cc1 ZINC000615988518 1123924185 /nfs/dbraw/zinc/92/41/85/1123924185.db2.gz YMPNDZCIUQZXCT-UHFFFAOYSA-N -1 0 345.449 3.728 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)CSc2ccc(Cl)cc2)C1 ZINC000237950659 1123925852 /nfs/dbraw/zinc/92/58/52/1123925852.db2.gz MZWYTDSFFLYHQI-LBPRGKRZSA-N -1 0 341.860 3.536 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)C[C@@H]1CCCc2ccccc21 ZINC000237985751 1123933317 /nfs/dbraw/zinc/93/33/17/1123933317.db2.gz QZTFWBUEWXJDPA-DLBZAZTESA-N -1 0 329.440 3.743 20 0 EHADRM Cc1ccc([N+](=O)[O-])cc1[C@H](C)O[N-]C(=O)C(C)(C)c1ccccc1 ZINC000180374029 1123993848 /nfs/dbraw/zinc/99/38/48/1123993848.db2.gz VALYOQBJYZQBPX-AWEZNQCLSA-N -1 0 342.395 3.990 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)C[C@@H]2CCCCC2(C)C)sc1C(=O)[O-] ZINC000263543259 1124052715 /nfs/dbraw/zinc/05/27/15/1124052715.db2.gz RXIUVGCYLYRZRM-NEPJUHHUSA-N -1 0 338.473 3.933 20 0 EHADRM Cc1cc2c(cc1C)[C@H](C(=O)Nc1cc(C(=O)[O-])c(C)cc1C)CO2 ZINC000263547892 1124082535 /nfs/dbraw/zinc/08/25/35/1124082535.db2.gz UWDKGTRSFXENJQ-MRXNPFEDSA-N -1 0 339.391 3.733 20 0 EHADRM CC(C)CCc1nnc(NC(=O)c2cc(F)c(F)c([O-])c2F)s1 ZINC000617095456 1124083159 /nfs/dbraw/zinc/08/31/59/1124083159.db2.gz PNXDZXZTRLLCAO-UHFFFAOYSA-N -1 0 345.346 3.502 20 0 EHADRM CC(C)CCc1nnc([N-]C(=O)c2c(F)ccc(F)c2F)s1 ZINC000617095144 1124083421 /nfs/dbraw/zinc/08/34/21/1124083421.db2.gz CKADZKUAFFUYQV-UHFFFAOYSA-N -1 0 329.347 3.796 20 0 EHADRM O=C([O-])CCCCC(=O)N(CCc1ccc(F)cc1)C1CCCC1 ZINC000263572003 1124569975 /nfs/dbraw/zinc/56/99/75/1124569975.db2.gz KGIZZIPYKAOPTR-UHFFFAOYSA-N -1 0 335.419 3.784 20 0 EHADRM Cc1ccc2c(c1)CN(C(=O)CCCc1ccc(O)c(F)c1)CC2 ZINC000617605609 1124675254 /nfs/dbraw/zinc/67/52/54/1124675254.db2.gz WKUVODTYSSJNNY-UHFFFAOYSA-N -1 0 327.399 3.747 20 0 EHADRM COc1ccccc1[C@H](CC(C)C)NC(=O)CC1(C(=O)[O-])CCC1 ZINC000263579462 1124693447 /nfs/dbraw/zinc/69/34/47/1124693447.db2.gz UTOMBKFBHJVPJL-HNNXBMFYSA-N -1 0 333.428 3.544 20 0 EHADRM Cc1c2cccc(Cl)c2oc1C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000521625830 1124699446 /nfs/dbraw/zinc/69/94/46/1124699446.db2.gz OYRUVIDZKCIMKF-BXKDBHETSA-N -1 0 335.787 3.577 20 0 EHADRM COc1ccc(COCCCC(=O)Nc2cccc(Cl)c2[O-])cc1 ZINC000089826029 1124859261 /nfs/dbraw/zinc/85/92/61/1124859261.db2.gz IRIFHIOTOUBNRC-UHFFFAOYSA-N -1 0 349.814 3.990 20 0 EHADRM COCC1(C2CCC2)CN(C(=O)c2c([O-])cc(Cl)cc2Cl)C1 ZINC000617984814 1124892854 /nfs/dbraw/zinc/89/28/54/1124892854.db2.gz KMRLPFTZFZAEMQ-UHFFFAOYSA-N -1 0 344.238 3.588 20 0 EHADRM CC1(C(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)CCCC1 ZINC000069579681 1124912256 /nfs/dbraw/zinc/91/22/56/1124912256.db2.gz VFBXEGHVIUCJFS-UHFFFAOYSA-N -1 0 335.347 3.931 20 0 EHADRM C[C@@H](Oc1cccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c1)C(=O)[O-] ZINC000069620846 1124955713 /nfs/dbraw/zinc/95/57/13/1124955713.db2.gz USMYDVIDBXYXND-CDCQXCROSA-N -1 0 338.319 3.511 20 0 EHADRM CSCc1ccc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)cc1 ZINC000735267494 1131327541 /nfs/dbraw/zinc/32/75/41/1131327541.db2.gz FCWOZCFHYFXMGS-UHFFFAOYSA-N -1 0 342.873 3.707 20 0 EHADRM CC(C)Cc1nc(=NC(=O)c2cc(F)c(Cl)cc2Cl)s[n-]1 ZINC000618345931 1125056869 /nfs/dbraw/zinc/05/68/69/1125056869.db2.gz BDLRLGXEHWCTRG-UHFFFAOYSA-N -1 0 348.230 3.857 20 0 EHADRM O=S(=O)([N-]c1ncccc1-c1ccccc1)c1cccc(F)c1F ZINC000092389364 1125095573 /nfs/dbraw/zinc/09/55/73/1125095573.db2.gz WDFOERJHQYTLER-UHFFFAOYSA-N -1 0 346.358 3.828 20 0 EHADRM CCCC[C@@H](CC)CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000735399612 1131342413 /nfs/dbraw/zinc/34/24/13/1131342413.db2.gz QQOCRRPHIVSINH-LLVKDONJSA-N -1 0 349.855 3.891 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCC([C@H]2CCCCO2)CC1 ZINC000619165197 1125298336 /nfs/dbraw/zinc/29/83/36/1125298336.db2.gz OCXMWOHPWQETMK-OAHLLOKOSA-N -1 0 341.810 3.606 20 0 EHADRM O=C(Nc1ccc(O)c(Cl)c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000182875367 1125384604 /nfs/dbraw/zinc/38/46/04/1125384604.db2.gz OLXARHZFHNJESF-UHFFFAOYSA-N -1 0 327.123 3.860 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(c2ccc3ccc(Br)cc3n2)C1 ZINC000422559521 1129201289 /nfs/dbraw/zinc/20/12/89/1129201289.db2.gz SGBUJRPBJNDXPH-JQWIXIFHSA-N -1 0 349.228 3.544 20 0 EHADRM CCOc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2F)cc1Cl ZINC000478835461 1129279777 /nfs/dbraw/zinc/27/97/77/1129279777.db2.gz GVCKYKNZJPZMDB-UHFFFAOYSA-N -1 0 337.734 3.828 20 0 EHADRM CC(C)(C)CCOc1cnccc1CNC(=O)c1ccc(O)c(F)c1 ZINC000673398978 1129353653 /nfs/dbraw/zinc/35/36/53/1129353653.db2.gz BVBVATOSODTQSX-UHFFFAOYSA-N -1 0 346.402 3.671 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000068256619 1129355835 /nfs/dbraw/zinc/35/58/35/1129355835.db2.gz HGOYJOLULLXKSF-IAGOWNOFSA-N -1 0 331.412 3.717 20 0 EHADRM CN(C(=O)c1n[n-]c2ccccc2c1=O)c1cccc2ccccc21 ZINC000735652348 1131368965 /nfs/dbraw/zinc/36/89/65/1131368965.db2.gz KYNJDKXMGPIKKM-UHFFFAOYSA-N -1 0 329.359 3.765 20 0 EHADRM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)C12CC3CC(CC(C3)C1)C2 ZINC000068338502 1129362851 /nfs/dbraw/zinc/36/28/51/1129362851.db2.gz CYJQMJPYBXKOFI-UHFFFAOYSA-N -1 0 339.395 3.597 20 0 EHADRM C[C@@H]1CCC[C@@H](OCCCCCC(=O)N=c2ccc(C3CC3)n[n-]2)C1 ZINC000499732906 1129430980 /nfs/dbraw/zinc/43/09/80/1129430980.db2.gz QVTFTRMFCUFHPJ-NVXWUHKLSA-N -1 0 345.487 3.870 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)N=c1ncn(C(C)(C)C)[n-]1)C(C)(C)C ZINC000543363348 1129436566 /nfs/dbraw/zinc/43/65/66/1129436566.db2.gz JORXLBWUNJPRLU-HNNXBMFYSA-N -1 0 343.475 3.672 20 0 EHADRM COc1ccc(C)cc1C[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000078657645 1129568708 /nfs/dbraw/zinc/56/87/08/1129568708.db2.gz NSDFSEUERCKBCL-UHFFFAOYSA-N -1 0 339.435 3.804 20 0 EHADRM Cc1cccc(O)c1C(=O)N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000624930468 1129594007 /nfs/dbraw/zinc/59/40/07/1129594007.db2.gz BBVLLYWEYXDRRA-YLJYHZDGSA-N -1 0 339.435 3.941 20 0 EHADRM COC(=O)c1nc2ccc(NCCc3ccc4ccccc4c3)[nH]c-2n1 ZINC001168733732 1129645706 /nfs/dbraw/zinc/64/57/06/1129645706.db2.gz OUMSEAXPXFONDG-UHFFFAOYSA-N -1 0 346.390 3.552 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)CCc2ccc(-c3ccccc3)[nH]2)cc1 ZINC000347743666 1129678306 /nfs/dbraw/zinc/67/83/06/1129678306.db2.gz VOEGXOAAIHYQID-UHFFFAOYSA-N -1 0 348.402 3.880 20 0 EHADRM C[C@H](NC(=O)c1c([O-])cc(F)cc1F)c1ncc(-c2ccccc2)o1 ZINC000156021818 1129689393 /nfs/dbraw/zinc/68/93/93/1129689393.db2.gz PUUZSUZRZBQQDI-JTQLQIEISA-N -1 0 344.317 3.816 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc2ccc(F)cc2s1 ZINC000391873830 1129690157 /nfs/dbraw/zinc/69/01/57/1129690157.db2.gz VYIZVXBJBINSSZ-GDLCADMTSA-N -1 0 347.411 3.898 20 0 EHADRM Cc1ccsc1C(=O)Nc1cccc(-n2ncc(C(=O)[O-])c2C)c1 ZINC000347766438 1129704139 /nfs/dbraw/zinc/70/41/39/1129704139.db2.gz BTUJAJYEFDELSG-UHFFFAOYSA-N -1 0 341.392 3.501 20 0 EHADRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cccc([C@@H](C)OC)c1 ZINC000509064219 1129712795 /nfs/dbraw/zinc/71/27/95/1129712795.db2.gz IGAGVKORJFMKFY-CQSZACIVSA-N -1 0 349.452 3.820 20 0 EHADRM C[C@@H](OC(=O)c1c(F)cc([O-])cc1F)C(=O)c1ccc2c(c1)CCC2 ZINC000735951594 1131393273 /nfs/dbraw/zinc/39/32/73/1131393273.db2.gz JXBFGCJOSQUGCG-SNVBAGLBSA-N -1 0 346.329 3.587 20 0 EHADRM Cc1cc(C)c(C(=O)COC(=O)c2c(F)cc([O-])cc2F)cc1C ZINC000735950964 1131393402 /nfs/dbraw/zinc/39/34/02/1131393402.db2.gz SCPXBZXETVISBJ-UHFFFAOYSA-N -1 0 334.318 3.635 20 0 EHADRM O=C(OCc1csc(-c2ccco2)n1)c1c(F)cc([O-])cc1F ZINC000735949366 1131393686 /nfs/dbraw/zinc/39/36/86/1131393686.db2.gz DEFBKWZGNGXNMT-UHFFFAOYSA-N -1 0 337.303 3.744 20 0 EHADRM CSc1cccc(S(=O)(=O)[N-]c2cc(Cl)cc(C)c2O)c1 ZINC000509089680 1129736965 /nfs/dbraw/zinc/73/69/65/1129736965.db2.gz LDMFUALDBAQHHR-UHFFFAOYSA-N -1 0 343.857 3.877 20 0 EHADRM CC(C)(C#N)c1ccc(NC(=O)CC2(C(=O)[O-])CCCCC2)cc1 ZINC000028900903 1129745882 /nfs/dbraw/zinc/74/58/82/1129745882.db2.gz CPJIJKYABRNNMV-UHFFFAOYSA-N -1 0 328.412 3.851 20 0 EHADRM COC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000028791067 1129830713 /nfs/dbraw/zinc/83/07/13/1129830713.db2.gz JDFJFKBBAQWQFL-UHFFFAOYSA-N -1 0 347.436 3.508 20 0 EHADRM CCOc1ccc(CN=c2[n-]nc(C3CCCCC3)o2)cc1OCC ZINC000347822067 1129879396 /nfs/dbraw/zinc/87/93/96/1129879396.db2.gz VANYPBODITXLFB-UHFFFAOYSA-N -1 0 345.443 3.949 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1csc2cncn21 ZINC000361325992 1129887298 /nfs/dbraw/zinc/88/72/98/1129887298.db2.gz WAQJJRYIYLIAQA-UHFFFAOYSA-N -1 0 328.180 3.661 20 0 EHADRM COC(=O)c1c(Cl)cccc1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212515259 1129928915 /nfs/dbraw/zinc/92/89/15/1129928915.db2.gz UUTKACRBXZCCHK-UHFFFAOYSA-N -1 0 341.697 3.847 20 0 EHADRM O=C(NCc1ccc(O)c(F)c1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000163661108 1129943671 /nfs/dbraw/zinc/94/36/71/1129943671.db2.gz JAHGSKDFZOXTHY-CQSZACIVSA-N -1 0 348.805 3.884 20 0 EHADRM COc1ccc(CN=c2[n-]nc(CCc3ccccc3)o2)c(Cl)c1 ZINC000347884451 1129977823 /nfs/dbraw/zinc/97/78/23/1129977823.db2.gz QBFVJAWOWDDZFJ-UHFFFAOYSA-N -1 0 343.814 3.551 20 0 EHADRM CSc1ccc(C)c(C(=O)N=c2ccc(-c3ccccc3)n[n-]2)c1 ZINC000466622882 1129982603 /nfs/dbraw/zinc/98/26/03/1129982603.db2.gz JNVJSZWVUSITGS-UHFFFAOYSA-N -1 0 335.432 3.848 20 0 EHADRM COCc1cccc(S(=O)(=O)[N-]c2nc3ccc(C)cc3s2)c1 ZINC000171146796 1130019621 /nfs/dbraw/zinc/01/96/21/1130019621.db2.gz PGNCXFUCKFONGE-UHFFFAOYSA-N -1 0 348.449 3.552 20 0 EHADRM COCc1cccc(S(=O)(=O)[N-]c2nc3c(cccc3C)s2)c1 ZINC000171148792 1130020630 /nfs/dbraw/zinc/02/06/30/1130020630.db2.gz FBXWCZXGIHJHIS-UHFFFAOYSA-N -1 0 348.449 3.552 20 0 EHADRM CC(C)c1nc(S(=O)(=O)[N-]c2ccc(C(=O)C(C)(C)C)cc2)c[nH]1 ZINC000674235024 1130032022 /nfs/dbraw/zinc/03/20/22/1130032022.db2.gz YMUFQMVHNLLBRG-UHFFFAOYSA-N -1 0 349.456 3.563 20 0 EHADRM O=C(N[C@@H](c1ccccc1)c1cccnc1)c1c([O-])cc(F)cc1F ZINC000171485309 1130063363 /nfs/dbraw/zinc/06/33/63/1130063363.db2.gz WERNDFBKTPSDFW-SFHVURJKSA-N -1 0 340.329 3.585 20 0 EHADRM O=C(NCCn1ccc2cc(Cl)ccc21)c1cccc(F)c1[O-] ZINC001128897294 1130231634 /nfs/dbraw/zinc/23/16/34/1130231634.db2.gz HDMRJNFKFNJRLA-UHFFFAOYSA-N -1 0 332.762 3.569 20 0 EHADRM CCCOc1cc(F)ccc1NC(=O)c1c([O-])cc(F)cc1F ZINC000675418261 1130362651 /nfs/dbraw/zinc/36/26/51/1130362651.db2.gz OOXBJYQWGCQDKC-UHFFFAOYSA-N -1 0 325.286 3.851 20 0 EHADRM O=C([O-])CCN(CC1CC1)C(=O)CCSc1ccccc1Cl ZINC000675970619 1130511962 /nfs/dbraw/zinc/51/19/62/1130511962.db2.gz WDXMBGMPYWIMET-UHFFFAOYSA-N -1 0 341.860 3.536 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)c1 ZINC000675968087 1130512249 /nfs/dbraw/zinc/51/22/49/1130512249.db2.gz LLFCZUXZXPZMKM-XYJFISCASA-N -1 0 345.439 3.566 20 0 EHADRM Cc1oc(CN(C)C(=O)C2(c3cccc(C)c3)CCC2)cc1C(=O)[O-] ZINC000676003340 1130516110 /nfs/dbraw/zinc/51/61/10/1130516110.db2.gz XNXOOSFSPNXHIH-UHFFFAOYSA-N -1 0 341.407 3.675 20 0 EHADRM O=C([O-])C1(CNC(=O)c2ccccc2Oc2ccccc2)CCCC1 ZINC000676024213 1130518037 /nfs/dbraw/zinc/51/80/37/1130518037.db2.gz VJBBIRVLTIZYFC-UHFFFAOYSA-N -1 0 339.391 3.854 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCCO[C@H](c2ccccc2)C1 ZINC000676141892 1130538452 /nfs/dbraw/zinc/53/84/52/1130538452.db2.gz SMCGWYWQDONMEZ-INIZCTEOSA-N -1 0 349.789 3.789 20 0 EHADRM CSc1cccc(F)c1CNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000804141566 1130571092 /nfs/dbraw/zinc/57/10/92/1130571092.db2.gz DOAXABUZLYURJB-UHFFFAOYSA-N -1 0 348.424 3.908 20 0 EHADRM CCCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000727951223 1130612564 /nfs/dbraw/zinc/61/25/64/1130612564.db2.gz DIAFEVOSKXHFAG-CQSZACIVSA-N -1 0 343.464 3.768 20 0 EHADRM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1n[n-]c2ccccc2c1=O ZINC000732258187 1130907186 /nfs/dbraw/zinc/90/71/86/1130907186.db2.gz IBDAUNINLSHFES-UHFFFAOYSA-N -1 0 349.434 3.905 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000733712970 1131073687 /nfs/dbraw/zinc/07/36/87/1131073687.db2.gz OUUULJXJJMQGSJ-UHFFFAOYSA-N -1 0 339.501 3.551 20 0 EHADRM Cc1ccccc1COc1ccccc1C(=O)N(C)CCCC(=O)[O-] ZINC000347990835 1131112396 /nfs/dbraw/zinc/11/23/96/1131112396.db2.gz GKLHBNSEWOLBJW-UHFFFAOYSA-N -1 0 341.407 3.511 20 0 EHADRM CC[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc(C)c1)c1ccc(C)cc1 ZINC000739140852 1131493428 /nfs/dbraw/zinc/49/34/28/1131493428.db2.gz VXEFUQBZPWPPTC-INIZCTEOSA-N -1 0 345.464 3.692 20 0 EHADRM Cc1ccc(C=CS(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)cc1 ZINC000737380758 1131528243 /nfs/dbraw/zinc/52/82/43/1131528243.db2.gz UPLBCIUOCDCPMQ-NTMALXAHSA-N -1 0 345.449 3.859 20 0 EHADRM CC(C)C[C@@H](C(=O)[N-]S(=O)(=O)C1CCCCC1)c1ccccc1 ZINC000741113804 1131577305 /nfs/dbraw/zinc/57/73/05/1131577305.db2.gz RHVWPPWCLOPIOW-QGZVFWFLSA-N -1 0 337.485 3.595 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)nc2)ccc1OC(C)C ZINC000741654396 1131632163 /nfs/dbraw/zinc/63/21/63/1131632163.db2.gz OVNOCVRNSKNXID-UHFFFAOYSA-N -1 0 340.832 3.631 20 0 EHADRM C[C@@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1csc2ccccc21 ZINC000743246693 1131882899 /nfs/dbraw/zinc/88/28/99/1131882899.db2.gz ISWQIYXSYQQZLL-BNOWGMLFSA-N -1 0 329.421 3.746 20 0 EHADRM CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000744006623 1132007393 /nfs/dbraw/zinc/00/73/93/1132007393.db2.gz OBPBHBXJCUBODN-LBPRGKRZSA-N -1 0 331.865 3.751 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H](C)C2)c1C ZINC000744013550 1132007586 /nfs/dbraw/zinc/00/75/86/1132007586.db2.gz WLOQAVUBXDUYTI-BZNIZROVSA-N -1 0 337.485 3.551 20 0 EHADRM Fc1ncccc1-c1nc(-c2ccc3[n-]c(=S)sc3c2)no1 ZINC001212718928 1132041693 /nfs/dbraw/zinc/04/16/93/1132041693.db2.gz IXDPXAQZVGDWGK-UHFFFAOYSA-N -1 0 330.369 3.836 20 0 EHADRM Cc1ccc(C2=CCN(C(=O)c3c([O-])cc(F)cc3F)CC2)cc1 ZINC000744315104 1132070621 /nfs/dbraw/zinc/07/06/21/1132070621.db2.gz RHSQFPNCGWSIAI-UHFFFAOYSA-N -1 0 329.346 3.908 20 0 EHADRM O=S(=O)([O-])c1cc(O)c(Nc2ccccc2F)c2ccccc21 ZINC001173847320 1132154170 /nfs/dbraw/zinc/15/41/70/1132154170.db2.gz YAXIIYXPJNYNJL-UHFFFAOYSA-N -1 0 333.340 3.675 20 0 EHADRM COc1ccccc1Nc1ccc2c(cccc2S(=O)(=O)[O-])c1 ZINC001173841432 1132164554 /nfs/dbraw/zinc/16/45/54/1132164554.db2.gz SCBHVJSXRJGGOD-UHFFFAOYSA-N -1 0 329.377 3.839 20 0 EHADRM COc1ccccc1Nc1cc(Cl)c(C)cc1S(=O)(=O)[O-] ZINC001173840730 1132164624 /nfs/dbraw/zinc/16/46/24/1132164624.db2.gz ICBADRJQFDYWKO-UHFFFAOYSA-N -1 0 327.789 3.647 20 0 EHADRM CS(=O)(=O)c1ccccc1Nc1ccc2[n-]c(=S)sc2c1 ZINC001173990117 1132196792 /nfs/dbraw/zinc/19/67/92/1132196792.db2.gz ZKVYMZBRJYIIBZ-UHFFFAOYSA-N -1 0 336.463 3.732 20 0 EHADRM COc1cccc(Nc2ccc3ccccc3c2S(=O)(=O)[O-])c1F ZINC001173974464 1132205173 /nfs/dbraw/zinc/20/51/73/1132205173.db2.gz DQPGCPSZFNNOBP-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM CCCCNC(=O)c1ccc([N-]c2nnc(-c3ccco3)o2)cc1 ZINC001174120280 1132263023 /nfs/dbraw/zinc/26/30/23/1132263023.db2.gz GTFCSHKMHJOFAM-UHFFFAOYSA-N -1 0 326.356 3.603 20 0 EHADRM CCOC(=O)c1c([N-]c2c(C)n[nH]c2C)onc1-c1ccccc1 ZINC001174213525 1132287213 /nfs/dbraw/zinc/28/72/13/1132287213.db2.gz GKCSTXLDAPDUEX-UHFFFAOYSA-N -1 0 326.356 3.602 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2cnc3cc(C4CCC4)nn3c2)c1 ZINC001174495068 1132371069 /nfs/dbraw/zinc/37/10/69/1132371069.db2.gz JGMXYCVLRJSTDC-BQYQJAHWSA-N -1 0 334.379 3.838 20 0 EHADRM COCCOc1ccc(F)cc1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174496915 1132372176 /nfs/dbraw/zinc/37/21/76/1132372176.db2.gz ZIUDMNWAVLCEFD-VMPITWQZSA-N -1 0 331.343 3.692 20 0 EHADRM O=C(NCc1c(F)cccc1Cl)c1ccc2[n-]c(=S)oc2c1 ZINC000746118168 1132378179 /nfs/dbraw/zinc/37/81/79/1132378179.db2.gz SNVYMEHEQAJUGS-UHFFFAOYSA-N -1 0 336.775 3.839 20 0 EHADRM CC(C)CNC(=O)c1cccc(Nc2cccc(/C=C/C(=O)[O-])c2)c1 ZINC001174499970 1132379771 /nfs/dbraw/zinc/37/97/71/1132379771.db2.gz MPWWCWHMULCAAQ-MDZDMXLPSA-N -1 0 338.407 3.914 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cc(-c2ccc(F)cc2)no1 ZINC001174673484 1132432716 /nfs/dbraw/zinc/43/27/16/1132432716.db2.gz HIQWLWMGIGENAR-UHFFFAOYSA-N -1 0 328.299 3.931 20 0 EHADRM CCc1cc(Nc2ccc(C(=O)[O-])c(OC)c2)n(-c2ccccc2)n1 ZINC001174682379 1132434704 /nfs/dbraw/zinc/43/47/04/1132434704.db2.gz HXCPKNZZRMVYOM-UHFFFAOYSA-N -1 0 337.379 3.885 20 0 EHADRM COCCCOc1ccc(Nc2ccc(C(=O)[O-])c(OC)c2)cc1F ZINC001174685358 1132435927 /nfs/dbraw/zinc/43/59/27/1132435927.db2.gz SNEHCSMUIUFRCI-UHFFFAOYSA-N -1 0 349.358 3.691 20 0 EHADRM COc1cc(Nc2c(O)cccc2Br)ccc1C(=O)[O-] ZINC001174684908 1132435998 /nfs/dbraw/zinc/43/59/98/1132435998.db2.gz AUOLRIXKEDEHKA-UHFFFAOYSA-N -1 0 338.157 3.605 20 0 EHADRM CCOC(=O)c1[n-]cnc1-c1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC001212767223 1132483452 /nfs/dbraw/zinc/48/34/52/1132483452.db2.gz VBCISNFAWIWFFH-UHFFFAOYSA-N -1 0 340.383 3.601 20 0 EHADRM CC[C@@](C)([N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1)C(F)(F)F ZINC000746400523 1132510071 /nfs/dbraw/zinc/51/00/71/1132510071.db2.gz JXDHFJVSVOERED-IDVQTMNDSA-N -1 0 341.782 3.961 20 0 EHADRM O=C([O-])Cc1ccc(Nc2ccc(N3CCOCC3)c(Cl)c2)cc1 ZINC001174952195 1132516528 /nfs/dbraw/zinc/51/65/28/1132516528.db2.gz NLFOVPJCHZSXMF-UHFFFAOYSA-N -1 0 346.814 3.547 20 0 EHADRM COc1cc(Nc2ccc(CC(=O)[O-])cc2)ccc1N1CCCC1 ZINC001174954951 1132517225 /nfs/dbraw/zinc/51/72/25/1132517225.db2.gz VGRYSLRWMPFWOM-UHFFFAOYSA-N -1 0 326.396 3.666 20 0 EHADRM CCNc1ccc(C(=O)OCC)cc1Nc1ccc(CC(=O)[O-])cc1 ZINC001174953862 1132517502 /nfs/dbraw/zinc/51/75/02/1132517502.db2.gz QYQTVVUJGZFSLH-UHFFFAOYSA-N -1 0 342.395 3.666 20 0 EHADRM CCOC(=O)c1cc(F)c(F)cc1Nc1ccc(CC(=O)[O-])cc1 ZINC001174956941 1132518570 /nfs/dbraw/zinc/51/85/70/1132518570.db2.gz VGFLBAKCVFDXSD-UHFFFAOYSA-N -1 0 335.306 3.512 20 0 EHADRM C[C@H]1CCCC[C@@H]1CC(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000746423919 1132520747 /nfs/dbraw/zinc/52/07/47/1132520747.db2.gz SYXBCAHHGGMFHN-GOEBONIOSA-N -1 0 347.480 3.636 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1cn2cc(Br)ccc2n1 ZINC001174981140 1132534417 /nfs/dbraw/zinc/53/44/17/1132534417.db2.gz IAWDPQFMIPGGSY-UHFFFAOYSA-N -1 0 346.184 3.847 20 0 EHADRM COc1cc(OC)c(F)c(Nc2ccc(C(=O)[O-])c(F)c2)c1F ZINC001175157766 1132570038 /nfs/dbraw/zinc/57/00/38/1132570038.db2.gz SBIREMBSIYANFC-UHFFFAOYSA-N -1 0 327.258 3.563 20 0 EHADRM Cc1nccc(Br)c1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175160878 1132571861 /nfs/dbraw/zinc/57/18/61/1132571861.db2.gz KEPBWOUBSQYASV-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM CC(C)c1cc(CNc2cc(Br)cc(C(=O)[O-])c2)on1 ZINC001168827845 1132572896 /nfs/dbraw/zinc/57/28/96/1132572896.db2.gz OKNAVWRPHUSQKW-UHFFFAOYSA-N -1 0 339.189 3.871 20 0 EHADRM O=C([O-])c1cc(Nc2cc(Br)cc(F)c2O)ccc1F ZINC001175221490 1132599013 /nfs/dbraw/zinc/59/90/13/1132599013.db2.gz KPHJEMUQEXAVDV-UHFFFAOYSA-N -1 0 344.111 3.875 20 0 EHADRM COc1cc(Nc2ccc(F)c(C(=O)[O-])c2)c(Cl)c(OC)c1 ZINC001175223127 1132599910 /nfs/dbraw/zinc/59/99/10/1132599910.db2.gz COVYARDSNGFHAG-UHFFFAOYSA-N -1 0 325.723 3.938 20 0 EHADRM CC(=O)c1ccc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)cc1F ZINC001175235629 1132603745 /nfs/dbraw/zinc/60/37/45/1132603745.db2.gz QFPOEVOHCLNKBT-UHFFFAOYSA-N -1 0 343.763 3.672 20 0 EHADRM CC(C)c1cc2ncc(Nc3ccc(C(=O)[O-])c(Cl)c3)cn2n1 ZINC001175315993 1132636000 /nfs/dbraw/zinc/63/60/00/1132636000.db2.gz MGPJHLWMFCXDGC-UHFFFAOYSA-N -1 0 330.775 3.948 20 0 EHADRM Cc1nc(Br)cnc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175316462 1132636030 /nfs/dbraw/zinc/63/60/30/1132636030.db2.gz OYEIIRVYNMKKRG-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1c(C)ccc2ncccc21 ZINC000766568853 1132637308 /nfs/dbraw/zinc/63/73/08/1132637308.db2.gz AECUKXAYGCVKOR-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM O=C(Nc1cccc2c1OCCCO2)c1cc(F)c([O-])c(Cl)c1 ZINC001175321306 1132638306 /nfs/dbraw/zinc/63/83/06/1132638306.db2.gz GMRMCDKMAANSIR-UHFFFAOYSA-N -1 0 337.734 3.598 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2ccc(-n3cccn3)cc2)c(Cl)c1 ZINC001175371039 1132653166 /nfs/dbraw/zinc/65/31/66/1132653166.db2.gz MJMMQJQDTZXFNO-UHFFFAOYSA-N -1 0 349.799 3.516 20 0 EHADRM Cc1cc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)cc2c[nH]nc21 ZINC001175519985 1132698303 /nfs/dbraw/zinc/69/83/03/1132698303.db2.gz RFNAIKGRRPKBAQ-UHFFFAOYSA-N -1 0 337.788 3.515 20 0 EHADRM Cc1n[nH]c2ccc(Nc3ccc(Cl)cc3S(=O)(=O)[O-])cc12 ZINC001175700717 1132730946 /nfs/dbraw/zinc/73/09/46/1132730946.db2.gz UATRZPDJISTYET-UHFFFAOYSA-N -1 0 337.788 3.515 20 0 EHADRM C[C@@H]1C[C@H](Nc2cc(C(F)(F)F)c(C(=O)[O-])nn2)c2ccccc21 ZINC001169370533 1132735131 /nfs/dbraw/zinc/73/51/31/1132735131.db2.gz ARERGVRBVUPYSC-PELKAZGASA-N -1 0 337.301 3.854 20 0 EHADRM O=c1cc(CNc2nc(Cl)nc3cc(C(F)(F)F)ccc32)o[n-]1 ZINC001169481648 1132765235 /nfs/dbraw/zinc/76/52/35/1132765235.db2.gz KINCAGYLTIXUHM-UHFFFAOYSA-N -1 0 344.680 3.608 20 0 EHADRM CC(C)c1nccn1Cc1cccc(Nc2cncc(C(=O)[O-])c2)c1 ZINC001175841832 1132772631 /nfs/dbraw/zinc/77/26/31/1132772631.db2.gz ZPUFQOQEBUWBKO-UHFFFAOYSA-N -1 0 336.395 3.892 20 0 EHADRM O=C([O-])c1cncc(Nc2ccc(Oc3ccc(F)cc3)nc2)c1 ZINC001175840924 1132772909 /nfs/dbraw/zinc/77/29/09/1132772909.db2.gz URRVONPMQDBDNX-UHFFFAOYSA-N -1 0 325.299 3.850 20 0 EHADRM Cc1cc(F)c(Nc2cncc(C(=O)[O-])c2)cc1Br ZINC001175842668 1132773397 /nfs/dbraw/zinc/77/33/97/1132773397.db2.gz DWGVOXJUTGLYLG-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM Cc1cc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])cc(C)c1N ZINC001175937913 1132790484 /nfs/dbraw/zinc/79/04/84/1132790484.db2.gz UMMUACQBKBHIHC-UHFFFAOYSA-N -1 0 326.805 3.529 20 0 EHADRM COc1ncccc1CC(=O)Nc1cc(Cl)c(C)c(Cl)c1[O-] ZINC001176255430 1132895426 /nfs/dbraw/zinc/89/54/26/1132895426.db2.gz JATGYSLKSZGTHN-UHFFFAOYSA-N -1 0 341.194 3.592 20 0 EHADRM COc1ccc(Nc2ccc3ccccc3c2S(=O)(=O)[O-])cc1O ZINC001176259203 1132896935 /nfs/dbraw/zinc/89/69/35/1132896935.db2.gz GCHNZNCSKANALD-UHFFFAOYSA-N -1 0 345.376 3.544 20 0 EHADRM COc1ccc(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)cc1O ZINC001176258834 1132897358 /nfs/dbraw/zinc/89/73/58/1132897358.db2.gz VQCYHLJHNAJXRU-UHFFFAOYSA-N -1 0 345.376 3.544 20 0 EHADRM O=C([O-])Cn1cc(Nc2ccc(Oc3cccc(F)c3)cc2)cn1 ZINC001176270898 1132899522 /nfs/dbraw/zinc/89/95/22/1132899522.db2.gz JMMVISWETASWRB-UHFFFAOYSA-N -1 0 327.315 3.643 20 0 EHADRM Cc1cc(Nc2csc(C(=O)[O-])c2)n(Cc2ccc(F)cc2)n1 ZINC001176435800 1132928747 /nfs/dbraw/zinc/92/87/47/1132928747.db2.gz GUQQLTJGXBOIQP-UHFFFAOYSA-N -1 0 331.372 3.882 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccc(Nc2csc(C(=O)[O-])c2)cn1 ZINC001176437094 1132928997 /nfs/dbraw/zinc/92/89/97/1132928997.db2.gz UNWWMQMHRURXGF-UHFFFAOYSA-N -1 0 335.385 3.932 20 0 EHADRM CC(C)(C)OC(=O)NCc1cncc(Nc2csc(C(=O)[O-])c2)c1 ZINC001176436991 1132929025 /nfs/dbraw/zinc/92/90/25/1132929025.db2.gz QLPPFYCWRSEIHX-UHFFFAOYSA-N -1 0 349.412 3.610 20 0 EHADRM COc1ccc(-n2ncc(C)c2Nc2csc(C(=O)[O-])c2)cc1 ZINC001176437336 1132929275 /nfs/dbraw/zinc/92/92/75/1132929275.db2.gz WBWDIRHTVJTLNA-UHFFFAOYSA-N -1 0 329.381 3.693 20 0 EHADRM COC(=O)c1cc(Nc2csc(C(=O)[O-])c2)c(F)cc1Cl ZINC001176440483 1132929779 /nfs/dbraw/zinc/92/97/79/1132929779.db2.gz IBSDLFUNXMMYFH-UHFFFAOYSA-N -1 0 329.736 3.769 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)/C=C\c1cccc(OC2CCCC2)c1 ZINC000767052865 1132943621 /nfs/dbraw/zinc/94/36/21/1132943621.db2.gz UKCMAPAXOKHBMU-DUQGCJEPSA-N -1 0 345.439 3.781 20 0 EHADRM O=C([O-])CCCCCNC(=O)/C=C\c1cccc(OC2CCCC2)c1 ZINC000767086574 1132946814 /nfs/dbraw/zinc/94/68/14/1132946814.db2.gz JOZUMRHZQIJLLT-SEYXRHQNSA-N -1 0 345.439 3.782 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)c1 ZINC000767179910 1132958243 /nfs/dbraw/zinc/95/82/43/1132958243.db2.gz JQGPCTHZAUXXKM-GJZGRUSLSA-N -1 0 333.746 3.920 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3nc4c(cccc4O)s3)cc2)CC1 ZINC001176581559 1132959423 /nfs/dbraw/zinc/95/94/23/1132959423.db2.gz JDYZRQGZDVSWED-UHFFFAOYSA-N -1 0 326.377 3.862 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3ccc(Br)nc3)cc2)CC1 ZINC001176583289 1132959506 /nfs/dbraw/zinc/95/95/06/1132959506.db2.gz WOAGBXQYLNFDCW-UHFFFAOYSA-N -1 0 333.185 3.704 20 0 EHADRM COC(=O)[C@@H](C)c1ccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cc1 ZINC001176588437 1132961528 /nfs/dbraw/zinc/96/15/28/1132961528.db2.gz MHJFBJZZYUUJRO-ZDUSSCGKSA-N -1 0 339.391 3.823 20 0 EHADRM COC(=O)/C=C/c1ccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cc1 ZINC001176589058 1132962450 /nfs/dbraw/zinc/96/24/50/1132962450.db2.gz SQQPDIZUMXIUDJ-NYYWCZLTSA-N -1 0 337.375 3.733 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3cccc4c3C(=O)N(C3CC3)C4)cc2)CC1 ZINC001176589097 1132962892 /nfs/dbraw/zinc/96/28/92/1132962892.db2.gz UAGUHFNGFASOFS-UHFFFAOYSA-N -1 0 348.402 3.665 20 0 EHADRM Cc1ccc(Br)nc1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176594034 1132963333 /nfs/dbraw/zinc/96/33/33/1132963333.db2.gz MEDPWRGIGAURHR-WEVVVXLNSA-N -1 0 333.185 3.994 20 0 EHADRM O=C([O-])CNC(=O)c1ccc(Nc2cc(Cl)cc(Cl)c2)cc1 ZINC001176572168 1132969530 /nfs/dbraw/zinc/96/95/30/1132969530.db2.gz SYVATQJWLRJNKZ-UHFFFAOYSA-N -1 0 339.178 3.551 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(Br)nc2Cl)cc1 ZINC001176710178 1132995421 /nfs/dbraw/zinc/99/54/21/1132995421.db2.gz BHIQJLPUFCFTFB-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM Nc1ccc(Br)c(F)c1Nc1ccc(C(=O)[O-])cc1 ZINC001176713920 1132996032 /nfs/dbraw/zinc/99/60/32/1132996032.db2.gz XKQOMIIHSNAUES-UHFFFAOYSA-N -1 0 325.137 3.612 20 0 EHADRM COc1cc(S(=O)(=O)[N-]c2cccc3ccccc32)cnc1Cl ZINC000767438026 1133002123 /nfs/dbraw/zinc/00/21/23/1133002123.db2.gz BRRMETGFVRTHJX-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM CC[C@H](CC(=O)[N-]S(=O)(=O)c1c(C)cccc1Cl)C(C)C ZINC000767552405 1133014511 /nfs/dbraw/zinc/01/45/11/1133014511.db2.gz YEYFPAOIQCEYMI-GFCCVEGCSA-N -1 0 331.865 3.526 20 0 EHADRM CC[C@H](C)[C@@H]([N-]S(=O)(=O)/C=C\c1ccc(F)cc1)C(F)(F)F ZINC000767604048 1133024698 /nfs/dbraw/zinc/02/46/98/1133024698.db2.gz IWZYANALMCTAMJ-ZNYBCTCQSA-N -1 0 339.354 3.693 20 0 EHADRM CN(CCOc1ccccc1C(=O)[O-])Cc1c(F)cccc1Cl ZINC000768770021 1133177356 /nfs/dbraw/zinc/17/73/56/1133177356.db2.gz ZNDROBBWAALMOX-UHFFFAOYSA-N -1 0 337.778 3.688 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000262250975 1133229660 /nfs/dbraw/zinc/22/96/60/1133229660.db2.gz VMUYOUNWYTYEHK-KDOFPFPSSA-N -1 0 329.440 3.804 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cnc2ccsc2c1 ZINC000769245228 1133250562 /nfs/dbraw/zinc/25/05/62/1133250562.db2.gz WFCCEVOWKLKGPN-UHFFFAOYSA-N -1 0 327.390 3.979 20 0 EHADRM C[C@H](NC(=O)CC1CCC(c2ccccc2)CC1)c1nn(C)cc1[O-] ZINC001179921370 1133307646 /nfs/dbraw/zinc/30/76/46/1133307646.db2.gz QJKZREXJHMNDQN-UQPPLGOBSA-N -1 0 341.455 3.667 20 0 EHADRM CC1(C)C(C)(C)C1(C)NC(=O)c1cccc(Br)c1[O-] ZINC001179991349 1133311731 /nfs/dbraw/zinc/31/17/31/1133311731.db2.gz XOWIEBUKYBTTNV-UHFFFAOYSA-N -1 0 326.234 3.709 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c(Cl)n1 ZINC000769650662 1133326169 /nfs/dbraw/zinc/32/61/69/1133326169.db2.gz JMBPNFZFARNNBC-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM Cc1cc(Br)ncc1NC(=O)c1c([O-])cccc1Cl ZINC000769927485 1133367766 /nfs/dbraw/zinc/36/77/66/1133367766.db2.gz XAGUCEHHWWQLCL-UHFFFAOYSA-N -1 0 341.592 3.764 20 0 EHADRM COc1cc(C(F)(F)F)ccc1NC(=O)C1(C(=O)[O-])CCCCC1 ZINC001180436323 1133369767 /nfs/dbraw/zinc/36/97/67/1133369767.db2.gz FTIKIXWYUFGYJW-UHFFFAOYSA-N -1 0 345.317 3.688 20 0 EHADRM O=C([O-])C1(C(=O)NC2c3ccccc3-c3ccccc32)CCCCC1 ZINC001180438455 1133371037 /nfs/dbraw/zinc/37/10/37/1133371037.db2.gz HXILMKOVNRZJJJ-UHFFFAOYSA-N -1 0 335.403 3.908 20 0 EHADRM CCOC(=O)c1cnc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)[n-]1 ZINC001180901687 1133425356 /nfs/dbraw/zinc/42/53/56/1133425356.db2.gz NTYJAZHESZRJKE-ZDUSSCGKSA-N -1 0 343.427 3.527 20 0 EHADRM C[C@H](CNC(=O)c1ccc2[n-]c(=S)oc2c1)c1ccc(F)cc1F ZINC000746328696 1133509191 /nfs/dbraw/zinc/50/91/91/1133509191.db2.gz XDTBDUIBXOULDO-SECBINFHSA-N -1 0 348.374 3.928 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2c3cc[nH]c3ccc2F)c(Cl)c1 ZINC001204304976 1133515316 /nfs/dbraw/zinc/51/53/16/1133515316.db2.gz GTWYSGNSNLSAAV-UHFFFAOYSA-N -1 0 340.763 3.951 20 0 EHADRM COc1cc(OC)cc(-c2noc(-c3cccc(Cl)c3[O-])n2)c1 ZINC000771193749 1133518355 /nfs/dbraw/zinc/51/83/55/1133518355.db2.gz GICXZZRIZVFRRF-UHFFFAOYSA-N -1 0 332.743 3.780 20 0 EHADRM O=C(/C=C\c1ccc2c(c1)OCO2)Nc1cc(F)cc(Cl)c1[O-] ZINC000771504827 1133567477 /nfs/dbraw/zinc/56/74/77/1133567477.db2.gz NWJFZVMGRSOVSS-RQOWECAXSA-N -1 0 335.718 3.565 20 0 EHADRM Cc1nnc(-c2ccc(NC(=O)c3cc(F)c([O-])c(Cl)c3)cc2)o1 ZINC000771627904 1133578729 /nfs/dbraw/zinc/57/87/29/1133578729.db2.gz LOGVHJMUXPYEBB-UHFFFAOYSA-N -1 0 347.733 3.795 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC(C)(C)C)c(Cl)cc1F ZINC000774189150 1133628948 /nfs/dbraw/zinc/62/89/48/1133628948.db2.gz GOGMWWGBOFWBAC-JTQLQIEISA-N -1 0 349.855 3.665 20 0 EHADRM O=C(NOc1ccccc1)c1cc(Br)cc(Cl)c1[O-] ZINC000774272512 1133653096 /nfs/dbraw/zinc/65/30/96/1133653096.db2.gz SWUFZOGKBFTTIE-UHFFFAOYSA-N -1 0 342.576 3.532 20 0 EHADRM O=C(Nc1ccc(OC(F)(F)F)cc1O)c1c([O-])cccc1Cl ZINC000785657458 1133739025 /nfs/dbraw/zinc/73/90/25/1133739025.db2.gz UNUSFCGFCLDSMS-UHFFFAOYSA-N -1 0 347.676 3.902 20 0 EHADRM CC(C)[C@@H]([N-]C(=O)C(F)(F)OCC(F)(F)F)c1ccc(F)cc1 ZINC001183194002 1133777591 /nfs/dbraw/zinc/77/75/91/1133777591.db2.gz DPALLRYUVQWUPL-LLVKDONJSA-N -1 0 343.267 3.811 20 0 EHADRM O=C(Cc1ccc([S-])cc1)Nc1cc(Br)ccc1O ZINC001183189916 1133777612 /nfs/dbraw/zinc/77/76/12/1133777612.db2.gz XPFBJRZJCNLEGL-UHFFFAOYSA-N -1 0 338.226 3.625 20 0 EHADRM O=C(Nc1nc(-c2ccccc2F)co1)c1cc(F)cc(F)c1[O-] ZINC001183349972 1133797041 /nfs/dbraw/zinc/79/70/41/1133797041.db2.gz OKRWILHXFXPECB-UHFFFAOYSA-N -1 0 334.253 3.717 20 0 EHADRM CC1(C)[C@@H](CNC(=O)c2c([O-])cc(F)cc2F)[C@@H]1c1ccccc1 ZINC001183669697 1133838692 /nfs/dbraw/zinc/83/86/92/1133838692.db2.gz JJMOYZOBYCDXJW-GUYCJALGSA-N -1 0 331.362 3.840 20 0 EHADRM CCCC(C)(C)CC(=O)[N-]S(=O)(=O)c1cccc(C)c1Cl ZINC000786486789 1133853441 /nfs/dbraw/zinc/85/34/41/1133853441.db2.gz SXZKYOINTSOQMZ-UHFFFAOYSA-N -1 0 331.865 3.670 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)C2CCCC2)c2ccccc21 ZINC000786451342 1133855435 /nfs/dbraw/zinc/85/54/35/1133855435.db2.gz JDKRZGPPVDQSBB-KSSFIOAISA-N -1 0 349.496 3.692 20 0 EHADRM CC(C)N(CC1CC1)C(=O)CCC(=O)C=C([O-])c1ccc(Cl)cc1 ZINC001184119972 1133900549 /nfs/dbraw/zinc/90/05/49/1133900549.db2.gz JHHJWCNTDISDQY-UHFFFAOYSA-N -1 0 349.858 3.909 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cccnc2Cl)c(C)cc1Cl ZINC001184867073 1133999906 /nfs/dbraw/zinc/99/99/06/1133999906.db2.gz NBPOQRDRGOXTGD-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)nc(C(F)(F)F)c1)c1ccsc1 ZINC001185351372 1134070701 /nfs/dbraw/zinc/07/07/01/1134070701.db2.gz WHXZNGBJHOKLFU-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM O=C1c2ccccc2-c2ccc([N-]S(=O)(=O)c3ccsc3)cc21 ZINC001185391347 1134078149 /nfs/dbraw/zinc/07/81/49/1134078149.db2.gz HPDCVRSDYWYAJG-UHFFFAOYSA-N -1 0 341.413 3.760 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2cc3ccccc3s2)c(O)c1 ZINC001185462790 1134092174 /nfs/dbraw/zinc/09/21/74/1134092174.db2.gz NXTGONOTQRNELJ-UHFFFAOYSA-N -1 0 333.434 3.970 20 0 EHADRM CCc1cccc(O)c1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185464059 1134093436 /nfs/dbraw/zinc/09/34/36/1134093436.db2.gz LMRZABAXPQYWAW-UHFFFAOYSA-N -1 0 333.434 3.970 20 0 EHADRM COc1cc(NS(=O)(=O)c2ccc(Cl)c(C)c2)ccc1[S-] ZINC001185531493 1134104606 /nfs/dbraw/zinc/10/46/06/1134104606.db2.gz CIUIMANCYDJVBG-UHFFFAOYSA-N -1 0 343.857 3.747 20 0 EHADRM CCCCC[C@@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000788322416 1134113639 /nfs/dbraw/zinc/11/36/39/1134113639.db2.gz QEILQVZFHRBDJG-GFCCVEGCSA-N -1 0 348.321 3.740 20 0 EHADRM O=S(=O)([N-]c1cccc(-c2cccnc2)c1)c1ccc(Cl)nc1 ZINC001185678823 1134124101 /nfs/dbraw/zinc/12/41/01/1134124101.db2.gz BMWUIJPSLHSCOE-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1O ZINC001185836820 1134139386 /nfs/dbraw/zinc/13/93/86/1134139386.db2.gz NHPBKFOHQILCOG-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM CC[C@H](CNS(=O)(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC001186261982 1134188915 /nfs/dbraw/zinc/18/89/15/1134188915.db2.gz QYZFVGLEQKBAKM-GFCCVEGCSA-N -1 0 341.835 3.951 20 0 EHADRM Cn1ncc2ccc([N-]S(=O)(=O)c3csc4ccccc43)cc21 ZINC001186450735 1134214510 /nfs/dbraw/zinc/21/45/10/1134214510.db2.gz ALWGHNBPXYXTSK-UHFFFAOYSA-N -1 0 343.433 3.589 20 0 EHADRM C[C@H](CCOC(=O)c1c(F)cc([O-])cc1F)OCc1ccccc1 ZINC000789053363 1134221270 /nfs/dbraw/zinc/22/12/70/1134221270.db2.gz GGMSWTJJEALQIK-GFCCVEGCSA-N -1 0 336.334 3.823 20 0 EHADRM CC(C)(O)c1ccccc1[N-]S(=O)(=O)c1csc2ccccc21 ZINC001186496018 1134222516 /nfs/dbraw/zinc/22/25/16/1134222516.db2.gz ZYTZJHPRBVOSJE-UHFFFAOYSA-N -1 0 347.461 3.930 20 0 EHADRM CC(C)c1ccc([N-]S(=O)(=O)c2ccco2)c(Br)c1 ZINC001186851604 1134260552 /nfs/dbraw/zinc/26/05/52/1134260552.db2.gz FVMASDNWPSUPQP-UHFFFAOYSA-N -1 0 344.230 3.966 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]C(=O)[C@H]2CCCCC2(C)C)c1 ZINC000789454752 1134277470 /nfs/dbraw/zinc/27/74/70/1134277470.db2.gz ORVLGVSXAREZJW-MRXNPFEDSA-N -1 0 337.485 3.831 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-]c2ccc(Cl)c(Cl)n2)c(F)c1 ZINC000775091400 1134300364 /nfs/dbraw/zinc/30/03/64/1134300364.db2.gz YGGRJXSNGQIKKK-UHFFFAOYSA-N -1 0 349.214 3.778 20 0 EHADRM Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187173591 1134310837 /nfs/dbraw/zinc/31/08/37/1134310837.db2.gz GUHIPERKGTZVEW-UHFFFAOYSA-N -1 0 325.430 3.875 20 0 EHADRM O=S(=O)([N-]c1ccc2ncccc2c1)c1cc2c(s1)CCCC2 ZINC001187174197 1134311590 /nfs/dbraw/zinc/31/15/90/1134311590.db2.gz WJAMIQBCUPILKA-UHFFFAOYSA-N -1 0 344.461 3.976 20 0 EHADRM O=S(=O)([N-]c1nccc2ccccc21)c1cc2c(s1)CCCC2 ZINC001187174260 1134311628 /nfs/dbraw/zinc/31/16/28/1134311628.db2.gz ZMKRPRBUCOHDTR-UHFFFAOYSA-N -1 0 344.461 3.976 20 0 EHADRM Cc1cc(-n2cccn2)ccc1NC(=O)c1c([O-])cccc1Cl ZINC000789870802 1134339214 /nfs/dbraw/zinc/33/92/14/1134339214.db2.gz UFZXPXALVGBSON-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM O=C([N-]OCc1ccc(C(F)(F)F)cc1)[C@@H]1CC(=O)c2ccccc21 ZINC000789816696 1134339529 /nfs/dbraw/zinc/33/95/29/1134339529.db2.gz DQSYGDXIWQDBCE-OAHLLOKOSA-N -1 0 349.308 3.623 20 0 EHADRM Cc1cc(Cl)ccc1CNc1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000789904573 1134347490 /nfs/dbraw/zinc/34/74/90/1134347490.db2.gz YDBVOMXMIUXSAY-UHFFFAOYSA-N -1 0 333.771 3.730 20 0 EHADRM COc1cc(C(=O)[O-])cc(NCc2cc(C)c(C)cc2C)c1OC ZINC000789901932 1134347590 /nfs/dbraw/zinc/34/75/90/1134347590.db2.gz IGHRRKAELPTYBZ-UHFFFAOYSA-N -1 0 329.396 3.939 20 0 EHADRM CCCc1cc([N-]S(=O)(=O)CCc2cccc3ccccc32)on1 ZINC001187616379 1134356508 /nfs/dbraw/zinc/35/65/08/1134356508.db2.gz ZRWZHPOYGHIPCD-UHFFFAOYSA-N -1 0 344.436 3.765 20 0 EHADRM Cc1ccc(-c2ccccc2)c([N-]S(=O)(=O)c2nccs2)c1 ZINC001187899149 1134393989 /nfs/dbraw/zinc/39/39/89/1134393989.db2.gz JUHOPPSRPILKJN-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)oc1ccccc12)c1nccs1 ZINC001187892230 1134399839 /nfs/dbraw/zinc/39/98/39/1134399839.db2.gz YHSQEUJFMPGXMK-UHFFFAOYSA-N -1 0 330.390 3.843 20 0 EHADRM CC(C)[C@H](NC(=O)c1cccc(Cl)c1[O-])[C@H](O)c1ccccc1 ZINC000790394879 1134409028 /nfs/dbraw/zinc/40/90/28/1134409028.db2.gz GFTDKZMCJVMKDD-JKSUJKDBSA-N -1 0 333.815 3.534 20 0 EHADRM CC(C)[C@H]1CCc2ccccc2[C@H]1NS(=O)(=O)c1ccccc1[O-] ZINC001189019357 1134533679 /nfs/dbraw/zinc/53/36/79/1134533679.db2.gz GRJIEQOQMULFEJ-BEFAXECRSA-N -1 0 345.464 3.630 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)sc2c1)c1cc(F)nc(F)c1F ZINC001189173635 1134553490 /nfs/dbraw/zinc/55/34/90/1134553490.db2.gz GDPYTLALHMSWFR-UHFFFAOYSA-N -1 0 341.339 3.650 20 0 EHADRM Cc1csc(C(=O)[N-]S(=O)(=O)[C@@H](C)c2ccccc2)c1Cl ZINC000791812670 1134608212 /nfs/dbraw/zinc/60/82/12/1134608212.db2.gz MOMJZIGJWAOZCZ-JTQLQIEISA-N -1 0 343.857 3.531 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)Cc2cc(F)ccc2F)sn1 ZINC001189651825 1134612089 /nfs/dbraw/zinc/61/20/89/1134612089.db2.gz XUWUBBUPSRNPAC-UHFFFAOYSA-N -1 0 346.424 3.661 20 0 EHADRM CCCC[C@H](CC)CC(=O)[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000775292151 1134616097 /nfs/dbraw/zinc/61/60/97/1134616097.db2.gz VOHMMGSDIGNGEL-ZDUSSCGKSA-N -1 0 331.503 3.776 20 0 EHADRM CC[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(OC)n1 ZINC001190058863 1134653460 /nfs/dbraw/zinc/65/34/60/1134653460.db2.gz PQAXDGYRJMWCTJ-LLVKDONJSA-N -1 0 338.404 3.544 20 0 EHADRM CC[C@H](C)c1ccc([N-]S(=O)(=O)c2ccc(F)c(OC)n2)cc1 ZINC001190059153 1134653736 /nfs/dbraw/zinc/65/37/36/1134653736.db2.gz UQLKNXDCSISTAO-NSHDSACASA-N -1 0 338.404 3.544 20 0 EHADRM CCn1nc(C(=O)Nc2cc(Cl)c(C)c(Cl)c2[O-])cc1C ZINC001190122626 1134662101 /nfs/dbraw/zinc/66/21/01/1134662101.db2.gz VDIXYMYTJBIPEE-UHFFFAOYSA-N -1 0 328.199 3.785 20 0 EHADRM Cc1cc(C)c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)cn1 ZINC001190295831 1134681964 /nfs/dbraw/zinc/68/19/64/1134681964.db2.gz HJJADNDCVXDDGR-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1Cl)S(=O)(=O)[N-]C(=O)C(C)(C)C ZINC000772792629 1134684020 /nfs/dbraw/zinc/68/40/20/1134684020.db2.gz RJIKFEHKKDWYBG-QMMMGPOBSA-N -1 0 338.256 3.547 20 0 EHADRM O=S(=O)([N-]c1ccc2scnc2c1)c1cc(F)cc(F)c1F ZINC001190387093 1134689620 /nfs/dbraw/zinc/68/96/20/1134689620.db2.gz BRAIODQSYRIOPI-UHFFFAOYSA-N -1 0 344.339 3.514 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(C(C)=O)n2)cc1 ZINC001190431804 1134699119 /nfs/dbraw/zinc/69/91/19/1134699119.db2.gz OYRTZKUSTCZVOK-UHFFFAOYSA-N -1 0 346.452 3.773 20 0 EHADRM O=S(=O)([N-]c1cc(-c2ccco2)no1)c1ccc(C2CC2)cc1 ZINC001190471720 1134705620 /nfs/dbraw/zinc/70/56/20/1134705620.db2.gz IKUUBHWILIAQFZ-UHFFFAOYSA-N -1 0 330.365 3.613 20 0 EHADRM CCC[C@H](NC(=O)c1cccc(Cl)c1[O-])[C@H](O)c1ccccc1 ZINC000792567120 1134706612 /nfs/dbraw/zinc/70/66/12/1134706612.db2.gz SNJVCWIWKKKLJV-JKSUJKDBSA-N -1 0 333.815 3.678 20 0 EHADRM O=C(Nc1noc2cnccc21)c1csc(-c2cccs2)n1 ZINC001190565937 1134718810 /nfs/dbraw/zinc/71/88/10/1134718810.db2.gz PPXPCQGXHBMIQX-UHFFFAOYSA-N -1 0 328.378 3.660 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc3ccccc3cn2)c1 ZINC001191152155 1134803234 /nfs/dbraw/zinc/80/32/34/1134803234.db2.gz VZTSILMFLWMHGC-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(C)cc(C)c2O)c1 ZINC001191184704 1134822574 /nfs/dbraw/zinc/82/25/74/1134822574.db2.gz BUXDOJOGIGETHC-UHFFFAOYSA-N -1 0 342.420 3.666 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CCC3)cc1 ZINC001191224310 1134830759 /nfs/dbraw/zinc/83/07/59/1134830759.db2.gz DYOYBQKNHREBLL-UHFFFAOYSA-N -1 0 336.482 3.775 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cnc(C)c(C(C)=O)c2)cc1 ZINC001191233721 1134832763 /nfs/dbraw/zinc/83/27/63/1134832763.db2.gz ZFXYGYPSBHYHLQ-UHFFFAOYSA-N -1 0 346.452 3.736 20 0 EHADRM O=C(Nc1cc(F)cc(C(F)(F)F)c1)Nc1ncc(F)cc1[O-] ZINC001191561509 1134889170 /nfs/dbraw/zinc/88/91/70/1134889170.db2.gz KUGFPUSMLQDVMU-UHFFFAOYSA-N -1 0 333.216 3.728 20 0 EHADRM C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(F)(F)F ZINC001191615149 1134890025 /nfs/dbraw/zinc/89/00/25/1134890025.db2.gz PDBFDIVZTFBUET-MRVPVSSYSA-N -1 0 337.750 3.722 20 0 EHADRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc2ncoc2c1 ZINC001191651692 1134899263 /nfs/dbraw/zinc/89/92/63/1134899263.db2.gz FWGOCADKYRFZKF-UHFFFAOYSA-N -1 0 346.408 3.761 20 0 EHADRM CCc1ccc(C)nc1[N-]S(=O)(=O)c1cc(C(C)C)ccc1OC ZINC001191651646 1134899528 /nfs/dbraw/zinc/89/95/28/1134899528.db2.gz DZFSHBSHQJHITF-UHFFFAOYSA-N -1 0 348.468 3.885 20 0 EHADRM O=S(=O)(Cc1ccc(Cl)cc1F)Nc1ccc(F)cc1F ZINC001191857168 1134928429 /nfs/dbraw/zinc/92/84/29/1134928429.db2.gz YFTHTHMAOJMIDE-UHFFFAOYSA-N -1 0 335.734 3.699 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(C)c(F)c(C)c1 ZINC001191829181 1134932323 /nfs/dbraw/zinc/93/23/23/1134932323.db2.gz VIEVOWDIYUUTJB-UHFFFAOYSA-N -1 0 337.416 3.950 20 0 EHADRM Cc1ncc([N-]S(=O)(=O)c2ccc(-c3ccc(C)cc3)cc2)n1C ZINC001192065454 1134964180 /nfs/dbraw/zinc/96/41/80/1134964180.db2.gz LUALGNFPGFARID-UHFFFAOYSA-N -1 0 341.436 3.505 20 0 EHADRM O=C(C[C@@H]1CCCOC1)Nc1cc(Br)cc(Cl)c1[O-] ZINC000793749283 1134988652 /nfs/dbraw/zinc/98/86/52/1134988652.db2.gz IUJCYQKJEXXWLL-QMMMGPOBSA-N -1 0 348.624 3.563 20 0 EHADRM Cc1ccc2[nH]c([N-]S(=O)(=O)c3cccc(C(F)F)c3)nc2c1 ZINC000794068518 1135017393 /nfs/dbraw/zinc/01/73/93/1135017393.db2.gz CQXCRJPTPNGHCL-UHFFFAOYSA-N -1 0 337.351 3.610 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc3c(s2)CCCC3)cnc1Cl ZINC001192534603 1135032271 /nfs/dbraw/zinc/03/22/71/1135032271.db2.gz XJRXCPOUVMTLSY-UHFFFAOYSA-N -1 0 342.873 3.785 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cc3ccccc3cn2)c1 ZINC001192766105 1135052601 /nfs/dbraw/zinc/05/26/01/1135052601.db2.gz TWBFGZZSSXMPJH-UHFFFAOYSA-N -1 0 342.420 3.607 20 0 EHADRM N=C(NC(=O)c1ccc(F)c(F)c1[O-])C12CC3CC(CC(C3)C1)C2 ZINC001192811309 1135057915 /nfs/dbraw/zinc/05/79/15/1135057915.db2.gz PGTZIWKTCFXRSM-UHFFFAOYSA-N -1 0 334.366 3.594 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3ccncc3c2)c1 ZINC001192821594 1135059258 /nfs/dbraw/zinc/05/92/58/1135059258.db2.gz PYWBTJTVECVZDA-UHFFFAOYSA-N -1 0 342.420 3.607 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cnccc2Cl)cc1C(C)C ZINC001192896759 1135069678 /nfs/dbraw/zinc/06/96/78/1135069678.db2.gz BCJCHGOSIXHSSV-UHFFFAOYSA-N -1 0 340.832 3.668 20 0 EHADRM O=S(=O)([N-]c1ccccc1-c1ccncc1)c1cnccc1Cl ZINC001192900478 1135070638 /nfs/dbraw/zinc/07/06/38/1135070638.db2.gz KAWAAYTXJXLSOX-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM Cc1cccc(Oc2ccccc2)c1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC001193248578 1135118119 /nfs/dbraw/zinc/11/81/19/1135118119.db2.gz BHTRFBFWRCQKTP-INIZCTEOSA-N -1 0 347.436 3.708 20 0 EHADRM CCOC(=O)c1cc(C(C)C)sc1[N-]S(=O)(=O)CC1CCC1 ZINC001193471054 1135141008 /nfs/dbraw/zinc/14/10/08/1135141008.db2.gz GXDBHMDIBXJTTM-UHFFFAOYSA-N -1 0 345.486 3.590 20 0 EHADRM Cc1[nH]c2ccc(CNC(=O)c3ccc(F)c([O-])c3F)cc2c1C ZINC001193789687 1135180896 /nfs/dbraw/zinc/18/08/96/1135180896.db2.gz VLOIOZPYRRILEG-UHFFFAOYSA-N -1 0 330.334 3.699 20 0 EHADRM Cc1c(Cl)cc(NC(=O)c2cncc(N(C)C)c2)c([O-])c1Cl ZINC001193819553 1135189185 /nfs/dbraw/zinc/18/91/85/1135189185.db2.gz UYBPEZQXAZZQAL-UHFFFAOYSA-N -1 0 340.210 3.721 20 0 EHADRM Cc1cc(O)cc(O)c1C(=O)Nc1c(Cl)ccc([O-])c1Cl ZINC001193935803 1135201546 /nfs/dbraw/zinc/20/15/46/1135201546.db2.gz FDESDUQUXBKRFA-UHFFFAOYSA-N -1 0 328.151 3.671 20 0 EHADRM O=S(=O)(Cc1noc2ccccc21)[N-]c1cc2ccccc2s1 ZINC001194052206 1135222008 /nfs/dbraw/zinc/22/20/08/1135222008.db2.gz XCWSOKZYBFSVOA-UHFFFAOYSA-N -1 0 344.417 3.984 20 0 EHADRM Cc1ccncc1[N-]S(=O)(=O)c1ccc(-c2cccs2)cc1 ZINC001194130453 1135230300 /nfs/dbraw/zinc/23/03/00/1135230300.db2.gz DGGMDIQXWSVIOT-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM CCc1cc([N-]S(=O)(=O)c2ccc3c(Cl)cccc3c2)on1 ZINC001194225100 1135246724 /nfs/dbraw/zinc/24/67/24/1135246724.db2.gz DGHSHQVJLAUXSF-UHFFFAOYSA-N -1 0 336.800 3.844 20 0 EHADRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1cc2ccccc2n1C ZINC001194267232 1135252537 /nfs/dbraw/zinc/25/25/37/1135252537.db2.gz GCGJKXKLMNABKD-UHFFFAOYSA-N -1 0 346.390 3.630 20 0 EHADRM CCOc1c(F)cccc1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000805256011 1135253588 /nfs/dbraw/zinc/25/35/88/1135253588.db2.gz IBMKZVPJQUPHKL-UHFFFAOYSA-N -1 0 327.714 3.975 20 0 EHADRM Cc1cc(C)c([N-]S(=O)(=O)c2ncccc2C(F)(F)F)cc1C ZINC001194570843 1135287363 /nfs/dbraw/zinc/28/73/63/1135287363.db2.gz BNDKKZZNJYTQTH-UHFFFAOYSA-N -1 0 344.358 3.826 20 0 EHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1nc(C(F)(F)F)cs1 ZINC001194605360 1135292893 /nfs/dbraw/zinc/29/28/93/1135292893.db2.gz NIIPXFCEKHTOCZ-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM O=C(Nc1nc(-c2cccnc2Cl)ns1)c1ccc(Cl)o1 ZINC001130410314 1135342125 /nfs/dbraw/zinc/34/21/25/1135342125.db2.gz NYYSHTLYFLSKEM-UHFFFAOYSA-N -1 0 341.179 3.752 20 0 EHADRM CC(C)(C)c1ccc([N-]S(=O)(=O)c2cccc3nccnc32)cc1 ZINC001194934084 1135348243 /nfs/dbraw/zinc/34/82/43/1135348243.db2.gz ZSXDGQARTFRYPV-UHFFFAOYSA-N -1 0 341.436 3.728 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2c(C)cccc2Cl)cnc1Cl ZINC001195279238 1135404164 /nfs/dbraw/zinc/40/41/64/1135404164.db2.gz VUDZWEMCAAZHRT-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM O=C(Nc1ccc(C(F)F)nc1)c1c([O-])c(F)c(F)c(F)c1F ZINC001195291293 1135407923 /nfs/dbraw/zinc/40/79/23/1135407923.db2.gz VOHAKTBSUSFRFC-UHFFFAOYSA-N -1 0 336.191 3.534 20 0 EHADRM CCOc1ccc(C)cc1NC(=O)c1c([O-])c(F)c(F)c(F)c1F ZINC001195294493 1135408383 /nfs/dbraw/zinc/40/83/83/1135408383.db2.gz DOVQHCGMGRWAGY-UHFFFAOYSA-N -1 0 343.276 3.908 20 0 EHADRM Cc1ccc(CCNC(=O)c2c([O-])c(F)c(F)c(F)c2F)c(C)c1 ZINC001195302584 1135409884 /nfs/dbraw/zinc/40/98/84/1135409884.db2.gz IRJNNXBDZKUZCC-UHFFFAOYSA-N -1 0 341.304 3.538 20 0 EHADRM O=C(NCc1ccccc1C1CC1)c1c([O-])c(F)c(F)c(F)c1F ZINC001195303309 1135409981 /nfs/dbraw/zinc/40/99/81/1135409981.db2.gz VEHIYAAQVAWLQF-UHFFFAOYSA-N -1 0 339.288 3.756 20 0 EHADRM O=C(NCc1cccc(C(F)F)c1)c1c([O-])c(F)c(F)c(F)c1F ZINC001195302821 1135410297 /nfs/dbraw/zinc/41/02/97/1135410297.db2.gz KYBNAJZSONDASN-UHFFFAOYSA-N -1 0 349.230 3.816 20 0 EHADRM C[C@H]1C[C@H](NC(=O)c2c([O-])c(F)c(F)c(F)c2F)c2ccccc21 ZINC001195311522 1135411880 /nfs/dbraw/zinc/41/18/80/1135411880.db2.gz UWQXNFCBGMJEKJ-XVKPBYJWSA-N -1 0 339.288 3.927 20 0 EHADRM C[C@@H]1C[C@H](NC(=O)c2c([O-])c(F)c(F)c(F)c2F)c2ccccc21 ZINC001195311521 1135412033 /nfs/dbraw/zinc/41/20/33/1135412033.db2.gz UWQXNFCBGMJEKJ-XCBNKYQSSA-N -1 0 339.288 3.927 20 0 EHADRM O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1[O-])c1ccccc1 ZINC001195421183 1135427275 /nfs/dbraw/zinc/42/72/75/1135427275.db2.gz XCGDRXLVCWLKCG-UHFFFAOYSA-N -1 0 341.219 3.826 20 0 EHADRM O=C(Nc1cccnc1N1CCCCC1)c1cccc(Cl)c1[O-] ZINC000775668473 1135454935 /nfs/dbraw/zinc/45/49/35/1135454935.db2.gz APEPKQQCHOYTMX-UHFFFAOYSA-N -1 0 331.803 3.683 20 0 EHADRM O=S(=O)(Nc1cc(C(F)(F)F)ccc1[S-])c1ccc(O)cc1 ZINC001195794955 1135470546 /nfs/dbraw/zinc/47/05/46/1135470546.db2.gz PUUITQRBMKRGSW-UHFFFAOYSA-N -1 0 349.355 3.501 20 0 EHADRM Cc1c(Cl)cc([N-]S(=O)(=O)c2ccc(O)cc2)c(O)c1Cl ZINC001195803327 1135472762 /nfs/dbraw/zinc/47/27/62/1135472762.db2.gz YRXUKDFNQUHUNK-UHFFFAOYSA-N -1 0 348.207 3.514 20 0 EHADRM O=S(=O)(N[C@@H](c1ccccc1)C1CCCC1)c1ccc(O)cc1 ZINC001195824940 1135477029 /nfs/dbraw/zinc/47/70/29/1135477029.db2.gz FSQFMTASRHDSTF-SFHVURJKSA-N -1 0 331.437 3.602 20 0 EHADRM C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cccc(Cl)c1[O-] ZINC000775698670 1135532351 /nfs/dbraw/zinc/53/23/51/1135532351.db2.gz QLIKVINAGACDDS-MLGOLLRUSA-N -1 0 331.799 3.648 20 0 EHADRM CC(C)c1cccc(F)c1[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC001196251071 1135536028 /nfs/dbraw/zinc/53/60/28/1135536028.db2.gz WMVGFBAKIVPIDQ-UHFFFAOYSA-N -1 0 328.796 3.798 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc3nc(C)ccc23)c(F)c1 ZINC001196382194 1135553125 /nfs/dbraw/zinc/55/31/25/1135553125.db2.gz FPGKUGKATVDSSA-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM O=S(=O)([N-]c1cc(F)ccn1)c1ccc2cc(Cl)ccc2c1 ZINC001196415060 1135560654 /nfs/dbraw/zinc/56/06/54/1135560654.db2.gz YBGJEIHYBIZQBA-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM CC(C)(CNC(=O)c1cc(Cl)c(F)cc1[O-])CC(F)(F)F ZINC001196477859 1135565733 /nfs/dbraw/zinc/56/57/33/1135565733.db2.gz IWFVSHIHBOVZDL-UHFFFAOYSA-N -1 0 327.705 3.893 20 0 EHADRM O=C(Nc1cc2ccccc2oc1=O)c1cc(Cl)c(F)cc1[O-] ZINC001196459573 1135569746 /nfs/dbraw/zinc/56/97/46/1135569746.db2.gz QIDBACOWCLPPIL-UHFFFAOYSA-N -1 0 333.702 3.543 20 0 EHADRM CN(CCC(=O)c1ccccc1)C(=O)c1cc(Cl)c(F)cc1[O-] ZINC001196462930 1135570573 /nfs/dbraw/zinc/57/05/73/1135570573.db2.gz LLNUMPGTOCNBEY-UHFFFAOYSA-N -1 0 335.762 3.530 20 0 EHADRM C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1n[n-]c2ccccc2c1=O ZINC000807885101 1135582884 /nfs/dbraw/zinc/58/28/84/1135582884.db2.gz DIPMBNJHUGLMJC-OLZOCXBDSA-N -1 0 327.428 3.622 20 0 EHADRM Cc1cc(NC(=O)c2cccc(Cl)c2[O-])ccc1C(=O)NC(C)C ZINC000775727070 1135583954 /nfs/dbraw/zinc/58/39/54/1135583954.db2.gz HGAJWCXHSPBLDC-UHFFFAOYSA-N -1 0 346.814 3.745 20 0 EHADRM COc1ccc(F)c(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)c1 ZINC001196719952 1135599381 /nfs/dbraw/zinc/59/93/81/1135599381.db2.gz WFEVRFZXVSLUGG-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM COc1ccc(F)c(S(=O)(=O)[N-]c2cccc3sccc32)c1 ZINC001196764788 1135603555 /nfs/dbraw/zinc/60/35/55/1135603555.db2.gz QWYAYVHCDHMSGC-UHFFFAOYSA-N -1 0 337.397 3.850 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N2CCc3cccc(Cl)c3C2)cc1 ZINC001197102969 1135650240 /nfs/dbraw/zinc/65/02/40/1135650240.db2.gz IDRXWMOBXGXMOI-UHFFFAOYSA-N -1 0 346.839 3.793 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2ccc(-c3cnco3)cc2)cc1 ZINC001197113552 1135651351 /nfs/dbraw/zinc/65/13/51/1135651351.db2.gz UGIXZLCKEVBFDF-UHFFFAOYSA-N -1 0 339.376 3.849 20 0 EHADRM O=S(=O)(/C=C/c1cccc(Cl)c1)[N-][C@@H](C1CC1)C(F)(F)F ZINC000808328270 1135652972 /nfs/dbraw/zinc/65/29/72/1135652972.db2.gz NANHELRENANPLG-SYTKJHMZSA-N -1 0 339.766 3.571 20 0 EHADRM O=S(=O)(/C=C\c1ccc(Cl)cc1)[N-][C@@H](C1CC1)C(F)(F)F ZINC000808328295 1135652980 /nfs/dbraw/zinc/65/29/80/1135652980.db2.gz NTLWOPUNBZEOJF-KRZKBDHCSA-N -1 0 339.766 3.571 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N[C@@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 ZINC001197147785 1135654276 /nfs/dbraw/zinc/65/42/76/1135654276.db2.gz QELGUNXOJIDDMZ-HUUCEWRRSA-N -1 0 346.839 3.881 20 0 EHADRM COc1c(F)cccc1[C@H](C)NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197148587 1135654786 /nfs/dbraw/zinc/65/47/86/1135654786.db2.gz ZOUVUBQGSQXXEC-JTQLQIEISA-N -1 0 348.399 3.580 20 0 EHADRM O=S(=O)(Cc1c(F)cccc1F)[N-]c1ccccc1OC(F)F ZINC001197601249 1135713812 /nfs/dbraw/zinc/71/38/12/1135713812.db2.gz YTJRPBDRXKJVCC-UHFFFAOYSA-N -1 0 349.305 3.508 20 0 EHADRM O=S(=O)(Cc1ccc(Cl)c(F)c1)Nc1ccccc1[S-] ZINC001197673545 1135720713 /nfs/dbraw/zinc/72/07/13/1135720713.db2.gz WQTHUWJSUVFDES-UHFFFAOYSA-N -1 0 331.821 3.710 20 0 EHADRM O=C(N[C@H](C[C@H]1CCOC1)c1ccccc1)c1cccc(Cl)c1[O-] ZINC000775783234 1135728291 /nfs/dbraw/zinc/72/82/91/1135728291.db2.gz HTGHQBRSUXADSL-CXAGYDPISA-N -1 0 345.826 3.943 20 0 EHADRM Cc1ccc(NS(=O)(=O)Cc2cccc(Cl)c2Cl)c(O)c1 ZINC001197744559 1135733137 /nfs/dbraw/zinc/73/31/37/1135733137.db2.gz JGHSYBPPTDGWGC-UHFFFAOYSA-N -1 0 346.235 3.949 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-]C(=O)CCCCC(C)(C)C)cc1 ZINC000809064636 1135770325 /nfs/dbraw/zinc/77/03/25/1135770325.db2.gz PFJAPMMJLMWIOR-UHFFFAOYSA-N -1 0 325.474 3.548 20 0 EHADRM CCC(CC)Oc1ccccc1[N-]S(=O)(=O)c1ccc(C)nc1 ZINC001198321673 1135800055 /nfs/dbraw/zinc/80/00/55/1135800055.db2.gz XMFNGOQJVYZOSL-UHFFFAOYSA-N -1 0 334.441 3.758 20 0 EHADRM O=S(=O)([N-]c1ccccc1O)c1ccccc1Oc1ccccc1 ZINC001198469233 1135819152 /nfs/dbraw/zinc/81/91/52/1135819152.db2.gz DMPHTLBPROJFDP-UHFFFAOYSA-N -1 0 341.388 3.985 20 0 EHADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)c1nc([C@@H]2CCC[C@H](C)C2)no1 ZINC000809343708 1135821802 /nfs/dbraw/zinc/82/18/02/1135821802.db2.gz HVZZDAWLTQENPP-AXFHLTTASA-N -1 0 333.354 3.739 20 0 EHADRM O=S(=O)([N-]c1cnc2c(c1)CCCC2)c1ccc2occc2c1 ZINC001198825426 1135856987 /nfs/dbraw/zinc/85/69/87/1135856987.db2.gz DCUZVAPUXAMOGS-UHFFFAOYSA-N -1 0 328.393 3.507 20 0 EHADRM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(OC)cc2C)on1 ZINC001198904813 1135868740 /nfs/dbraw/zinc/86/87/40/1135868740.db2.gz CNYQHIACARQKMN-NSHDSACASA-N -1 0 338.429 3.696 20 0 EHADRM Cc1cc(C(=O)Nc2cc(O)cc(Cl)c2)nn1-c1cccc(F)c1 ZINC001199347764 1135896881 /nfs/dbraw/zinc/89/68/81/1135896881.db2.gz MVZXTBKEYOBCSJ-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)nc(C)n1 ZINC001199988280 1135943406 /nfs/dbraw/zinc/94/34/06/1135943406.db2.gz UKBNMIUWNYCULI-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM Cc1ncccc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1F ZINC001201244540 1135998836 /nfs/dbraw/zinc/99/88/36/1135998836.db2.gz LFTGGEPRZBWFRY-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM COc1cc(C)c([N-]S(=O)(=O)c2sc(Cl)nc2C)c(C)c1 ZINC001201760532 1136060495 /nfs/dbraw/zinc/06/04/95/1136060495.db2.gz LWUISOTYQGNLIQ-UHFFFAOYSA-N -1 0 346.861 3.531 20 0 EHADRM COc1ccccc1-c1cc(NC(=O)c2cccc(Cl)c2[O-])n[nH]1 ZINC000776231109 1136084456 /nfs/dbraw/zinc/08/44/56/1136084456.db2.gz LSBBFPOJPGKDNL-UHFFFAOYSA-N -1 0 343.770 3.697 20 0 EHADRM CC(C)OCc1cc(NC(=O)c2cc(Cl)ccc2[O-])ccc1O ZINC000811592146 1136109124 /nfs/dbraw/zinc/10/91/24/1136109124.db2.gz AXYFCCYSGHGPCP-UHFFFAOYSA-N -1 0 335.787 3.929 20 0 EHADRM Cc1cccc(NC(=O)Nc2ccc(S(=O)(=O)[O-])cc2Cl)c1 ZINC001202315219 1136127759 /nfs/dbraw/zinc/12/77/59/1136127759.db2.gz WWMOFSVVDBXZDD-UHFFFAOYSA-N -1 0 340.788 3.539 20 0 EHADRM CN(C(=O)c1cc(C(=O)[O-])ccc1Cl)[C@H]1CCc2ccccc2C1 ZINC000811817234 1136144858 /nfs/dbraw/zinc/14/48/58/1136144858.db2.gz QCUYJTSSDWWKSG-HNNXBMFYSA-N -1 0 343.810 3.668 20 0 EHADRM C[C@H](c1ccccc1)[C@H](C)NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811820305 1136145392 /nfs/dbraw/zinc/14/53/92/1136145392.db2.gz VCTMGHMFXGSBLZ-RYUDHWBXSA-N -1 0 331.799 3.960 20 0 EHADRM CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000812269654 1136190333 /nfs/dbraw/zinc/19/03/33/1136190333.db2.gz UCZQYXKQOFIONA-UHFFFAOYSA-N -1 0 349.355 3.770 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)Cc2ccc(Cl)nc2C)c1 ZINC000812705071 1136235396 /nfs/dbraw/zinc/23/53/96/1136235396.db2.gz VSDSYORVWVRTRZ-UHFFFAOYSA-N -1 0 332.787 3.523 20 0 EHADRM COc1ccc2ccccc2c1CCNC(=O)c1cccc(F)c1[O-] ZINC001133583839 1136283619 /nfs/dbraw/zinc/28/36/19/1136283619.db2.gz ZEKMNZVGYGQNES-UHFFFAOYSA-N -1 0 339.366 3.666 20 0 EHADRM O=C([N-]S(=O)(=O)c1cccc(Cl)c1)C1CC2(C1)CCCCC2 ZINC000850733094 1136298521 /nfs/dbraw/zinc/29/85/21/1136298521.db2.gz JIDPEIVFYRHXKZ-UHFFFAOYSA-N -1 0 341.860 3.505 20 0 EHADRM O=C(CC1CCC1)O[C@@H]1C[C@@H]([N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000851175008 1136346227 /nfs/dbraw/zinc/34/62/27/1136346227.db2.gz COJIIEQJIVPAOH-ZIAGYGMSSA-N -1 0 341.329 3.584 20 0 EHADRM CC(C)CC1(C)CCN(C(=O)CSc2n[n-]c(=S)s2)CC1 ZINC000813845846 1136370293 /nfs/dbraw/zinc/37/02/93/1136370293.db2.gz YDPMKEOWWXDPIX-UHFFFAOYSA-N -1 0 345.559 3.594 20 0 EHADRM CCc1ccc(C(=O)[N-]S(=O)(=O)[C@@H](CC)c2ccccc2)s1 ZINC000814017495 1136386839 /nfs/dbraw/zinc/38/68/39/1136386839.db2.gz YJALIULHLSCGQL-HNNXBMFYSA-N -1 0 337.466 3.521 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(SC)cc1 ZINC000814021207 1136386937 /nfs/dbraw/zinc/38/69/37/1136386937.db2.gz YSEZUGKKAAWDKN-MRXNPFEDSA-N -1 0 349.477 3.619 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(SC)cc1 ZINC000814021204 1136387296 /nfs/dbraw/zinc/38/72/96/1136387296.db2.gz YSEZUGKKAAWDKN-INIZCTEOSA-N -1 0 349.477 3.619 20 0 EHADRM CCN(C(=O)c1ccc(/C=C\C(=O)[O-])o1)[C@@H](C)c1cccc(OC)c1 ZINC000851594829 1136395047 /nfs/dbraw/zinc/39/50/47/1136395047.db2.gz MERMNLYLGCGRKP-FUWURINLSA-N -1 0 343.379 3.609 20 0 EHADRM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851595791 1136395397 /nfs/dbraw/zinc/39/53/97/1136395397.db2.gz KSKACAVTYLQXCQ-SIJIIQCFSA-N -1 0 345.370 3.514 20 0 EHADRM Cc1ccc(C(C)(C)CN(C)C(=O)c2ccc(/C=C\C(=O)[O-])o2)cc1 ZINC000851604388 1136395658 /nfs/dbraw/zinc/39/56/58/1136395658.db2.gz WAZCCYCAKLNVTB-BENRWUELSA-N -1 0 341.407 3.736 20 0 EHADRM CCC[C@H](C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1)c1ccc(Cl)cc1 ZINC000851604533 1136395699 /nfs/dbraw/zinc/39/56/99/1136395699.db2.gz AIMVWKLOOJDMDE-WQVCFCJDSA-N -1 0 337.847 3.793 20 0 EHADRM CCc1ccc(C(C)(C)NC(=O)c2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC000851600177 1136395913 /nfs/dbraw/zinc/39/59/13/1136395913.db2.gz DBGIJXYGFLFGMK-ZRDIBKRKSA-N -1 0 327.380 3.605 20 0 EHADRM CCC[C@@H](CNC(=O)c1cccc(SC(F)(F)F)c1)C(=O)[O-] ZINC000851606215 1136396362 /nfs/dbraw/zinc/39/63/62/1136396362.db2.gz MFLJBNCJYRQOTK-JTQLQIEISA-N -1 0 335.347 3.529 20 0 EHADRM O=C([O-])c1cc(NC(=O)C2CC3(CC3)C2)ccc1N1CCCCC1 ZINC000851606201 1136396458 /nfs/dbraw/zinc/39/64/58/1136396458.db2.gz LOFRNSOWOXEGDS-UHFFFAOYSA-N -1 0 328.412 3.504 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1cccc(C2SCCS2)c1 ZINC000852947612 1136493832 /nfs/dbraw/zinc/49/38/32/1136493832.db2.gz MBNAZWMQGLRXFY-MRXNPFEDSA-N -1 0 337.466 3.605 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000776631634 1136494441 /nfs/dbraw/zinc/49/44/41/1136494441.db2.gz OFAAWNKWTVIFHL-QFSNBGPKSA-N -1 0 339.391 3.889 20 0 EHADRM O=C(Nc1ccc(-c2ccccc2F)nn1)c1cccc(Cl)c1[O-] ZINC001134972911 1136578528 /nfs/dbraw/zinc/57/85/28/1136578528.db2.gz WNDPAWKGIGFUPJ-UHFFFAOYSA-N -1 0 343.745 3.894 20 0 EHADRM CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000815711820 1136631899 /nfs/dbraw/zinc/63/18/99/1136631899.db2.gz AHXISFORVANBTM-CQSZACIVSA-N -1 0 334.460 3.966 20 0 EHADRM CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000815714159 1136632095 /nfs/dbraw/zinc/63/20/95/1136632095.db2.gz NUFLASTUUXRRSL-CQSZACIVSA-N -1 0 342.395 3.511 20 0 EHADRM C[C@@](O)(C(=O)Nc1cccc(Cl)c1[O-])c1ccc(Cl)cc1 ZINC000815877784 1136644528 /nfs/dbraw/zinc/64/45/28/1136644528.db2.gz HIWCSSMRUVSSMO-HNNXBMFYSA-N -1 0 326.179 3.545 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)C(C)(C)C(C)(C)C)cc1 ZINC000815897230 1136648204 /nfs/dbraw/zinc/64/82/04/1136648204.db2.gz MCAVPHBQMUBFDX-UHFFFAOYSA-N -1 0 325.474 3.516 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)CC(C)(C)C2CC2)c1C ZINC000815897970 1136648797 /nfs/dbraw/zinc/64/87/97/1136648797.db2.gz NQXRQNSZBPLONB-UHFFFAOYSA-N -1 0 337.485 3.551 20 0 EHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCSC2(CCC2)CC1 ZINC000854931260 1136654959 /nfs/dbraw/zinc/65/49/59/1136654959.db2.gz GCDUSOFDHADBRB-UHFFFAOYSA-N -1 0 334.466 3.618 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc3oc(=S)[n-]c3c2)CC2(CCCCC2)O1 ZINC000855055056 1136664348 /nfs/dbraw/zinc/66/43/48/1136664348.db2.gz CHJWKAMBYVIDDB-GFCCVEGCSA-N -1 0 346.452 3.680 20 0 EHADRM CC(C)CCc1nnc(NC(=O)c2ccnc(Cl)c2F)s1 ZINC000855189675 1136675164 /nfs/dbraw/zinc/67/51/64/1136675164.db2.gz KWCOYGZONORSGW-UHFFFAOYSA-N -1 0 328.800 3.567 20 0 EHADRM O=C(N[C@@H]1CCCc2occc21)c1cccc(C(F)(F)F)c1[O-] ZINC001135402463 1136681939 /nfs/dbraw/zinc/68/19/39/1136681939.db2.gz GODSTYKSEZXMJT-GFCCVEGCSA-N -1 0 325.286 3.811 20 0 EHADRM CC(C)Cc1nsc([N-]C(=O)c2nc(Cl)sc2Cl)n1 ZINC000855707015 1136720253 /nfs/dbraw/zinc/72/02/53/1136720253.db2.gz GGEBMDVHQQRECN-UHFFFAOYSA-N -1 0 337.257 3.752 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000855951805 1136743861 /nfs/dbraw/zinc/74/38/61/1136743861.db2.gz QBEADCVZEAZXMN-ZFWWWQNUSA-N -1 0 346.452 3.538 20 0 EHADRM CCC(CC)(CC(=O)N[C@H](c1ccc(OC)cc1)C(C)C)C(=O)[O-] ZINC000010821600 1136763345 /nfs/dbraw/zinc/76/33/45/1136763345.db2.gz QXUGDRHPXUABEK-KRWDZBQOSA-N -1 0 335.444 3.790 20 0 EHADRM O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1ccc2oc(=S)[n-]c2c1 ZINC000816903560 1136764306 /nfs/dbraw/zinc/76/43/06/1136764306.db2.gz IEXVHPYPXMAPJC-UHFFFAOYSA-N -1 0 336.376 3.759 20 0 EHADRM CCn1c2ccccc2c2cc(NC(=O)c3c[n-]ncc3=O)ccc21 ZINC001135745863 1136765084 /nfs/dbraw/zinc/76/50/84/1136765084.db2.gz HKOQABMOVKBWTH-UHFFFAOYSA-N -1 0 332.363 3.562 20 0 EHADRM O=C([N-]c1ncn(C2CCCCC2)n1)c1snc(Cl)c1Cl ZINC000816968706 1136768523 /nfs/dbraw/zinc/76/85/23/1136768523.db2.gz KIYLWUGSBOHSEK-UHFFFAOYSA-N -1 0 346.243 3.799 20 0 EHADRM CC[C@H](C)CO[N-]C(=O)C1(c2ccc(Br)cc2)CC1 ZINC000816975818 1136768623 /nfs/dbraw/zinc/76/86/23/1136768623.db2.gz PSIFHJRAXZZKFP-NSHDSACASA-N -1 0 326.234 3.575 20 0 EHADRM O=C(COC(c1ccccc1)c1ccccc1)[N-]OCC1CCC1 ZINC000856343706 1136778655 /nfs/dbraw/zinc/77/86/55/1136778655.db2.gz WFQYKADUQAXWNW-UHFFFAOYSA-N -1 0 325.408 3.641 20 0 EHADRM C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)[N-]OCC1CC1 ZINC000817339766 1136799948 /nfs/dbraw/zinc/79/99/48/1136799948.db2.gz WQQLTNAUBKXYTB-OAHLLOKOSA-N -1 0 325.408 3.503 20 0 EHADRM CC[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000114616993 1136813443 /nfs/dbraw/zinc/81/34/43/1136813443.db2.gz IFYQXFSSLPXZCQ-ZDUSSCGKSA-N -1 0 329.487 3.550 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)c1ccc(CF)cc1 ZINC000856980181 1136829554 /nfs/dbraw/zinc/82/95/54/1136829554.db2.gz LMPIIXSGLKQROL-IRXDYDNUSA-N -1 0 327.355 3.587 20 0 EHADRM C[C@@H]1CCC[C@@H](NC(=O)c2cc(Br)c(F)cc2[O-])C1 ZINC001136204662 1136929409 /nfs/dbraw/zinc/92/94/09/1136929409.db2.gz VFOCKBBRYIIKPB-RKDXNWHRSA-N -1 0 330.197 3.602 20 0 EHADRM CCCCCC[C@@H](C)NC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC000858267446 1136954058 /nfs/dbraw/zinc/95/40/58/1136954058.db2.gz IQBGULMYSBBZOA-LLVKDONJSA-N -1 0 348.365 3.547 20 0 EHADRM CCCC(=O)Nc1ccc(CNC(=O)c2ccc(Cl)c([O-])c2)cc1 ZINC001136261364 1136960574 /nfs/dbraw/zinc/96/05/74/1136960574.db2.gz YGYIJZSIAAEVQM-UHFFFAOYSA-N -1 0 346.814 3.714 20 0 EHADRM O=C(Nc1ccc(-n2cccn2)c(F)c1)c1ncc2ccccc2c1[O-] ZINC001136302068 1136976179 /nfs/dbraw/zinc/97/61/79/1136976179.db2.gz WNFAPXKUPNTUCI-UHFFFAOYSA-N -1 0 348.337 3.518 20 0 EHADRM CC(C)[C@@H]1CCN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])C1 ZINC000820745244 1137004562 /nfs/dbraw/zinc/00/45/62/1137004562.db2.gz CTXTXVOFKMQRMW-CQSZACIVSA-N -1 0 327.380 3.583 20 0 EHADRM CC1N=NC(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)=C1[O-] ZINC001136386162 1137008672 /nfs/dbraw/zinc/00/86/72/1137008672.db2.gz WTAVFVIIYOLZJK-UHFFFAOYSA-N -1 0 344.758 3.517 20 0 EHADRM CC[C@H](c1nnc(NC([O-])=NOCC2CCC2)s1)c1ccccc1 ZINC000820955226 1137011670 /nfs/dbraw/zinc/01/16/70/1137011670.db2.gz UEAYFDCXGBXOLT-AWEZNQCLSA-N -1 0 346.456 3.933 20 0 EHADRM CO[C@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[O-])CC1(C)C ZINC000821457004 1137028269 /nfs/dbraw/zinc/02/82/69/1137028269.db2.gz XVQIIBGLAJUUED-LBPRGKRZSA-N -1 0 332.227 3.586 20 0 EHADRM Cc1noc2ncc(NC(=O)c3cccc(C(F)(F)F)c3[O-])cc12 ZINC001136501295 1137038793 /nfs/dbraw/zinc/03/87/93/1137038793.db2.gz OETKSYWKMXRRDP-UHFFFAOYSA-N -1 0 337.257 3.508 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1cccc(C2SCCS2)c1 ZINC000013468482 1137087037 /nfs/dbraw/zinc/08/70/37/1137087037.db2.gz QAZSBXPUDCLHIQ-ZIAGYGMSSA-N -1 0 349.477 3.771 20 0 EHADRM C/C(=C/C(=O)N1CCC[C@]1(C)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000823338168 1137095449 /nfs/dbraw/zinc/09/54/49/1137095449.db2.gz ADDBCTVTWHPSRN-HGPCXVNDSA-N -1 0 341.329 3.574 20 0 EHADRM C/C(=C/C(=O)N1CCC[C@@]1(C)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000823338207 1137095541 /nfs/dbraw/zinc/09/55/41/1137095541.db2.gz CSKVGELMDDDMMA-SNGWPZLWSA-N -1 0 341.329 3.574 20 0 EHADRM CCCCC[C@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)C(C)(C)C ZINC000861452423 1137107598 /nfs/dbraw/zinc/10/75/98/1137107598.db2.gz UYSXNRCTVAHYPZ-KKUMJFAQSA-N -1 0 326.481 3.734 20 0 EHADRM CC[C@H]1CCCN(C(=O)c2cc(Br)cc(F)c2[O-])CC1 ZINC001136756890 1137108217 /nfs/dbraw/zinc/10/82/17/1137108217.db2.gz VIBOCYVNPXXOOU-JTQLQIEISA-N -1 0 344.224 3.946 20 0 EHADRM O=C(c1cc(Br)cc(F)c1[O-])N1C2CCCC1CCC2 ZINC001136771945 1137111210 /nfs/dbraw/zinc/11/12/10/1137111210.db2.gz ONLLDNKPBQHSJG-UHFFFAOYSA-N -1 0 342.208 3.841 20 0 EHADRM CN(CCCOc1ccccc1)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000118770515 1137131468 /nfs/dbraw/zinc/13/14/68/1137131468.db2.gz QPQPEWVGGJPHHO-UHFFFAOYSA-N -1 0 342.420 3.658 20 0 EHADRM COCC1(C2CCC2)CN(C(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000825046142 1137163363 /nfs/dbraw/zinc/16/33/63/1137163363.db2.gz GEZMXPHJURKBMK-UHFFFAOYSA-N -1 0 344.238 3.588 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)NC3(C)CCC(C)(C)CC3)cc2=O)cc1 ZINC000862967295 1137165888 /nfs/dbraw/zinc/16/58/88/1137165888.db2.gz CCTZDORXPCMJKR-UHFFFAOYSA-N -1 0 341.455 3.563 20 0 EHADRM C[C@@H](CN(C)C(=O)c1n[n-]c2ccccc2c1=O)C1CCCCC1 ZINC000863046838 1137168432 /nfs/dbraw/zinc/16/84/32/1137168432.db2.gz QKONCASECIOQRU-ZDUSSCGKSA-N -1 0 327.428 3.624 20 0 EHADRM CC1(C)CO[C@@H](c2cccc(F)c2)CN1C(=O)c1cccc(F)c1[O-] ZINC000825364948 1137174979 /nfs/dbraw/zinc/17/49/79/1137174979.db2.gz KCTZSZONNITJIU-MRXNPFEDSA-N -1 0 347.361 3.663 20 0 EHADRM Cc1ccc(CN(CC2CC2)C(=O)c2cccc(Cl)c2[O-])cn1 ZINC000844003009 1137193833 /nfs/dbraw/zinc/19/38/33/1137193833.db2.gz DWTFBFYPCKMPQS-UHFFFAOYSA-N -1 0 330.815 3.801 20 0 EHADRM CCCCc1ncc(CN2CC[C@H]2C)n1Cc1ccc(C(=O)[O-])cc1 ZINC001143748613 1137196005 /nfs/dbraw/zinc/19/60/05/1137196005.db2.gz TXYBYBTUFJFRJT-OAHLLOKOSA-N -1 0 341.455 3.566 20 0 EHADRM Cc1nc(N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc(C(F)(F)F)n1 ZINC000844218322 1137203264 /nfs/dbraw/zinc/20/32/64/1137203264.db2.gz KRBTUQBHLKXJPL-NEPJUHHUSA-N -1 0 337.301 3.529 20 0 EHADRM Cc1ncc(C(=O)[O-])cc1C(=O)N1CCCc2cc(C(C)C)ccc21 ZINC000864102523 1137214931 /nfs/dbraw/zinc/21/49/31/1137214931.db2.gz VSYXOORZMNNXOZ-UHFFFAOYSA-N -1 0 338.407 3.805 20 0 EHADRM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000864100288 1137214991 /nfs/dbraw/zinc/21/49/91/1137214991.db2.gz UKHMQPIDVSHYPR-HBWSCVEGSA-N -1 0 339.391 3.818 20 0 EHADRM Cc1c(NC(=O)/C=C\c2cc(C(=O)[O-])co2)sc2c1CCCC2 ZINC000864113645 1137215703 /nfs/dbraw/zinc/21/57/03/1137215703.db2.gz VKMKHNXHFPZIDW-SREVYHEPSA-N -1 0 331.393 3.878 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)/C=C/c1csc(C(F)(F)F)c1 ZINC000864118966 1137215999 /nfs/dbraw/zinc/21/59/99/1137215999.db2.gz RORISLCOBOPVPY-IHVVCDCBSA-N -1 0 335.347 3.540 20 0 EHADRM C[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1)C(F)(F)F ZINC000864127118 1137216311 /nfs/dbraw/zinc/21/63/11/1137216311.db2.gz PXIADDFHMRWIEK-KCJUWKMLSA-N -1 0 337.725 3.561 20 0 EHADRM CC[C@H]1c2ccccc2CCN1C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000864128899 1137216514 /nfs/dbraw/zinc/21/65/14/1137216514.db2.gz YZKBLLZJEXZQLJ-DZZUKKPASA-N -1 0 325.364 3.527 20 0 EHADRM CSCCCCCCC(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000864133251 1137216685 /nfs/dbraw/zinc/21/66/85/1137216685.db2.gz LMPJKJSUVNPEFL-LLVKDONJSA-N -1 0 344.502 3.640 20 0 EHADRM CCC[C@H](C(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccccn1 ZINC000864135371 1137216936 /nfs/dbraw/zinc/21/69/36/1137216936.db2.gz KRCOPNNKCNTYPX-INIZCTEOSA-N -1 0 326.396 3.621 20 0 EHADRM C[C@@H](NC(=O)Cc1coc2c1ccc(Cl)c2Cl)[C@H](C)C(=O)[O-] ZINC000864138733 1137216968 /nfs/dbraw/zinc/21/69/68/1137216968.db2.gz AMMVDVLVKRURRQ-JGVFFNPUSA-N -1 0 344.194 3.508 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)CCc1cccc2ccccc21 ZINC000864156290 1137217355 /nfs/dbraw/zinc/21/73/55/1137217355.db2.gz SOUBOFZBMFDDNA-PXNSSMCTSA-N -1 0 325.408 3.532 20 0 EHADRM Cc1cc([C@@H](NC(=O)/C=C/c2cc(C(=O)[O-])co2)C2CC2)ccc1F ZINC000864152913 1137217360 /nfs/dbraw/zinc/21/73/60/1137217360.db2.gz SPRSIMJFLYVMHD-FZMUQLTDSA-N -1 0 343.354 3.706 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)CCc1ccc(F)c2ccccc12 ZINC000864153343 1137217372 /nfs/dbraw/zinc/21/73/72/1137217372.db2.gz CBQILJJWDLDVLV-YLJYHZDGSA-N -1 0 343.398 3.671 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)CCc1ccc(F)c2ccccc12 ZINC000864153341 1137217382 /nfs/dbraw/zinc/21/73/82/1137217382.db2.gz CBQILJJWDLDVLV-PXNSSMCTSA-N -1 0 343.398 3.671 20 0 EHADRM O=C([O-])C1=CC[C@H](NC(=O)C[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000864165599 1137217627 /nfs/dbraw/zinc/21/76/27/1137217627.db2.gz PHYSMBXMXSAHML-UXHICEINSA-N -1 0 349.430 3.693 20 0 EHADRM O=C(/C=C\c1ccc(C(=O)[O-])o1)Nc1cccc(C2CCOCC2)c1 ZINC000864172909 1137217696 /nfs/dbraw/zinc/21/76/96/1137217696.db2.gz DCQREZOZBMVXGV-ALCCZGGFSA-N -1 0 341.363 3.524 20 0 EHADRM C/C(=C\c1cccc(Cl)c1)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000864175127 1137217898 /nfs/dbraw/zinc/21/78/98/1137217898.db2.gz JCYYFABCZFJIBD-OAJBQYBWSA-N -1 0 347.842 3.845 20 0 EHADRM C/C(=C\c1ccccc1Cl)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC000864174433 1137217901 /nfs/dbraw/zinc/21/79/01/1137217901.db2.gz FSZBLCQCGGQOES-GKPYXUANSA-N -1 0 347.842 3.845 20 0 EHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC000864176312 1137217928 /nfs/dbraw/zinc/21/79/28/1137217928.db2.gz QQTICOZEKHIKQU-YMOMMSEVSA-N -1 0 347.842 3.845 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2Cc3ccc(Cl)cc32)c2ccccc21 ZINC000864228348 1137219334 /nfs/dbraw/zinc/21/93/34/1137219334.db2.gz OGXOSLZJLNOHTD-MLGOLLRUSA-N -1 0 341.794 3.585 20 0 EHADRM Cc1ccc(SCC(=O)N[C@@H](CC(=O)[O-])c2cccc(C)c2)cc1 ZINC000864228813 1137219373 /nfs/dbraw/zinc/21/93/73/1137219373.db2.gz PWZUVUFRALGIPW-KRWDZBQOSA-N -1 0 343.448 3.728 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)c2csc(C(C)C)n2)c1 ZINC000864230117 1137219561 /nfs/dbraw/zinc/21/95/61/1137219561.db2.gz RAKJVOZSLBPPOG-CYBMUJFWSA-N -1 0 332.425 3.521 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)Cc2ccc(Cl)s2)c1 ZINC000864231613 1137219567 /nfs/dbraw/zinc/21/95/67/1137219567.db2.gz IMCVAYQXBWCEKI-ZDUSSCGKSA-N -1 0 337.828 3.585 20 0 EHADRM C/C(=C/c1ccc(-c2ccccc2OC[C@@H]2CCOC2)o1)C(=O)[O-] ZINC000864609397 1137236325 /nfs/dbraw/zinc/23/63/25/1137236325.db2.gz USXBBXWNJBTOQZ-QLKUMGTLSA-N -1 0 328.364 3.850 20 0 EHADRM C/C(=C\c1ccc(-c2ccc(NC(=O)C(C)(C)C)nc2)o1)C(=O)[O-] ZINC000864609565 1137236467 /nfs/dbraw/zinc/23/64/67/1137236467.db2.gz YYJLPZUNKOKAOZ-PKNBQFBNSA-N -1 0 328.368 3.814 20 0 EHADRM Cc1ccc(-c2csc(NC(=O)c3ncccc3[O-])n2)c(C)c1 ZINC001144437755 1137293913 /nfs/dbraw/zinc/29/39/13/1137293913.db2.gz HGCYAZHLKPLFEC-UHFFFAOYSA-N -1 0 325.393 3.780 20 0 EHADRM CC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)oc1ccccc12 ZINC000845828226 1137313297 /nfs/dbraw/zinc/31/32/97/1137313297.db2.gz PEOYWYKXGUVLEB-LBPRGKRZSA-N -1 0 345.420 3.827 20 0 EHADRM O=C([O-])c1ccc([C@@H](NC(=O)/C=C\C2CCCC2)C(F)(F)F)cc1 ZINC000846121436 1137334507 /nfs/dbraw/zinc/33/45/07/1137334507.db2.gz YMXALLNMAYGODF-WSVPDTOYSA-N -1 0 341.329 3.851 20 0 EHADRM O=C([O-])[C@@]12CCC[C@@H]1C[N@H+](Cc1csc(-c3cccs3)n1)C2 ZINC000846284804 1137345167 /nfs/dbraw/zinc/34/51/67/1137345167.db2.gz OSFVAVARQUBXKF-BDJLRTHQSA-N -1 0 334.466 3.558 20 0 EHADRM O=C([O-])/C=C/c1ccccc1NCCC1CCC2(CC1)OCCO2 ZINC001171222193 1137348498 /nfs/dbraw/zinc/34/84/98/1137348498.db2.gz CFFLGJFSRIGYGD-AATRIKPKSA-N -1 0 331.412 3.520 20 0 EHADRM CCOc1cc(C(=O)N2CCC[C@@]3(CC3(F)F)C2)cc(Cl)c1O ZINC000846573962 1137357243 /nfs/dbraw/zinc/35/72/43/1137357243.db2.gz UXTVKADBMNBFBC-OAHLLOKOSA-N -1 0 345.773 3.706 20 0 EHADRM CCOC(=O)/C(=C/c1ccc(C(=O)[O-])cc1Cl)c1ncccc1C ZINC000794950316 1137377513 /nfs/dbraw/zinc/37/75/13/1137377513.db2.gz TUVKIUJKSPGGLJ-NTEUORMPSA-N -1 0 345.782 3.845 20 0 EHADRM O=C([N-]N1CCc2ccccc2C1)C(F)(F)c1cccc(Cl)c1 ZINC001146332272 1137388763 /nfs/dbraw/zinc/38/87/63/1137388763.db2.gz RVVJMKPZLJJPRX-UHFFFAOYSA-N -1 0 336.769 3.521 20 0 EHADRM Cc1ccccc1C[C@H]1CCCN1C(=O)c1cc(F)cc(F)c1[O-] ZINC001147074177 1137399773 /nfs/dbraw/zinc/39/97/73/1137399773.db2.gz NHTPQTDQUQWHQJ-OAHLLOKOSA-N -1 0 331.362 3.826 20 0 EHADRM CC[C@@H](C(=O)NOCC1CCC1)c1ccc(Br)cc1 ZINC001148107532 1137418010 /nfs/dbraw/zinc/41/80/10/1137418010.db2.gz QRFCTPZLHZDAAY-CQSZACIVSA-N -1 0 326.234 3.791 20 0 EHADRM C[C@@H]1c2ccccc2OCCN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC001148120700 1137418509 /nfs/dbraw/zinc/41/85/09/1137418509.db2.gz UTBBSJYPMLUDPB-SNVBAGLBSA-N -1 0 335.762 3.781 20 0 EHADRM Cc1ccc2[nH]c(CNC(=O)c3cccc(C(F)(F)F)c3[O-])nc2c1 ZINC001148552487 1137427749 /nfs/dbraw/zinc/42/77/49/1137427749.db2.gz BQVSOAOTRJEBQX-UHFFFAOYSA-N -1 0 349.312 3.526 20 0 EHADRM O=C(Nc1cnn2cc(F)ccc12)c1cc(Cl)cc(Cl)c1[O-] ZINC001148804982 1137435421 /nfs/dbraw/zinc/43/54/21/1137435421.db2.gz AFXQWOQAERVXDV-UHFFFAOYSA-N -1 0 340.141 3.738 20 0 EHADRM O=C(c1s[n-]c(=O)c1Cl)N1CCC(Cc2ccccc2)CC1 ZINC000282815700 1137452533 /nfs/dbraw/zinc/45/25/33/1137452533.db2.gz BWDJEDZLMBSSFT-UHFFFAOYSA-N -1 0 336.844 3.597 20 0 EHADRM CN(Cc1nc(=O)c2sccc2[n-]1)Cc1cccc(F)c1Cl ZINC000339099588 1137479771 /nfs/dbraw/zinc/47/97/71/1137479771.db2.gz YLJBKIAIXAFXFP-UHFFFAOYSA-N -1 0 337.807 3.821 20 0 EHADRM CCOC(=O)CCc1cccc(Nc2cc(F)c(C(=O)[O-])c(F)c2)c1 ZINC001203334717 1137499593 /nfs/dbraw/zinc/49/95/93/1137499593.db2.gz ZRNDRPLEEZLBMJ-UHFFFAOYSA-N -1 0 349.333 3.902 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)c2ccccc2Br)cc1 ZINC000208612389 1137516694 /nfs/dbraw/zinc/51/66/94/1137516694.db2.gz NSFJGTUQSUCMPI-YFHOEESVSA-N -1 0 346.180 3.799 20 0 EHADRM CCCOc1c(F)cc(F)c(Nc2cc(=O)[n-]c(Cl)n2)c1F ZINC001212648135 1137545123 /nfs/dbraw/zinc/54/51/23/1137545123.db2.gz MNTBBFBJVAIEFE-UHFFFAOYSA-N -1 0 333.697 3.785 20 0 EHADRM CC(C)[C@H]1CCc2[n-]n(-c3nc4cc(F)c(F)cc4[nH]3)c(=O)c2C1 ZINC000871942833 1137563536 /nfs/dbraw/zinc/56/35/36/1137563536.db2.gz OYWMYGYGDCPQGQ-UWVGGRQHSA-N -1 0 332.354 3.616 20 0 EHADRM CC(C)c1c(Cl)ncnc1-n1[n-]c(Cc2ccccc2)cc1=O ZINC000871957055 1137563786 /nfs/dbraw/zinc/56/37/86/1137563786.db2.gz MEYNAGCBYTUIEZ-UHFFFAOYSA-N -1 0 328.803 3.589 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cc(C)cc(F)c2)noc1C(C)(C)C ZINC000872007285 1137564328 /nfs/dbraw/zinc/56/43/28/1137564328.db2.gz NXIZAIHRUGPPFO-UHFFFAOYSA-N -1 0 326.393 3.529 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000872736196 1137583460 /nfs/dbraw/zinc/58/34/60/1137583460.db2.gz NBXMQVVFNNCLFJ-JSGCOSHPSA-N -1 0 346.452 3.596 20 0 EHADRM CC(C)c1cc(Cl)ccc1NC(=O)[C@@H]1CC[C@H](CCC(=O)[O-])O1 ZINC000872738960 1137583600 /nfs/dbraw/zinc/58/36/00/1137583600.db2.gz WDSYZOHEYUXKSM-DOMZBBRYSA-N -1 0 339.819 3.814 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)Nc1ccc(SC(F)F)cc1 ZINC000872828527 1137585195 /nfs/dbraw/zinc/58/51/95/1137585195.db2.gz GJFDRUONTKHSCF-UHFFFAOYSA-N -1 0 335.397 3.536 20 0 EHADRM COc1cc(NC(=O)C2=C(C(=O)[O-])CCCC2)cc(OC)c1C(C)C ZINC000872855020 1137585668 /nfs/dbraw/zinc/58/56/68/1137585668.db2.gz IKTUUWBGPXNGDB-UHFFFAOYSA-N -1 0 347.411 3.721 20 0 EHADRM COc1cc(Cl)c(Cl)cc1NC(=O)C1=C(C(=O)[O-])CCCC1 ZINC000872860987 1137585704 /nfs/dbraw/zinc/58/57/04/1137585704.db2.gz ZPIOLQJTCQUSLH-UHFFFAOYSA-N -1 0 344.194 3.896 20 0 EHADRM O=C([O-])C1=C(C(=O)Nc2cccc3c2ccn3C(F)F)CCCC1 ZINC000872878970 1137586010 /nfs/dbraw/zinc/58/60/10/1137586010.db2.gz ZXPKKQJHNQVJPB-UHFFFAOYSA-N -1 0 334.322 3.930 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])C(=O)N[C@H](C)c1nc2ccccc2n1C(C)C ZINC000872934599 1137586671 /nfs/dbraw/zinc/58/66/71/1137586671.db2.gz FCXPPYPKBBRFEZ-YJYMSZOUSA-N -1 0 345.443 3.685 20 0 EHADRM CC(C)(NC(=O)C(C)(C)SCC(=O)[O-])c1ccc2ccccc2c1 ZINC000872995052 1137587666 /nfs/dbraw/zinc/58/76/66/1137587666.db2.gz YOHBZBDBXCFYOE-UHFFFAOYSA-N -1 0 345.464 3.788 20 0 EHADRM O=C(NCCSCCC(F)(F)F)c1cc(F)c([O-])c(Cl)c1 ZINC000825735169 1137613876 /nfs/dbraw/zinc/61/38/76/1137613876.db2.gz OLMLXGNHFCKDMA-UHFFFAOYSA-N -1 0 345.745 3.600 20 0 EHADRM O=Cc1ccc(-c2ccccc2[C@H](O)CC(=O)[O-])cc1C(F)(F)F ZINC000874970251 1137627274 /nfs/dbraw/zinc/62/72/74/1137627274.db2.gz NWEQNLCNKYDJBK-OAHLLOKOSA-N -1 0 338.281 3.693 20 0 EHADRM Cc1onc(-c2cccc(-c3ccc(C=O)c(F)c3)c2)c1C(=O)[O-] ZINC000874973799 1137627293 /nfs/dbraw/zinc/62/72/93/1137627293.db2.gz YREOYFLEUHBPSN-UHFFFAOYSA-N -1 0 325.295 3.967 20 0 EHADRM C[C@@H](Oc1c(-c2ccc(C=O)o2)cc(Cl)c2cccnc21)C(=O)[O-] ZINC000874973054 1137627312 /nfs/dbraw/zinc/62/73/12/1137627312.db2.gz USPIADGHSQBMEE-SECBINFHSA-N -1 0 345.738 3.813 20 0 EHADRM O=Cc1ccc(-c2ccc(-n3ccnc3SCC(=O)[O-])cc2)s1 ZINC000874973000 1137627323 /nfs/dbraw/zinc/62/73/23/1137627323.db2.gz TVNHCOODDPOXHG-UHFFFAOYSA-N -1 0 344.417 3.590 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000825777881 1137630872 /nfs/dbraw/zinc/63/08/72/1137630872.db2.gz DFPGDBIKWVSFIA-WFASDCNBSA-N -1 0 342.370 3.934 20 0 EHADRM O=C(Nc1ccc(F)c(F)c1[O-])C1(c2cccnc2)CC2(CCC2)C1 ZINC000880256540 1137772206 /nfs/dbraw/zinc/77/22/06/1137772206.db2.gz MOVWEBDSFCOQNJ-UHFFFAOYSA-N -1 0 344.361 3.906 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC000888826696 1137782304 /nfs/dbraw/zinc/78/23/04/1137782304.db2.gz NMRHWYXQMBVFCO-VOJFVSQTSA-N -1 0 346.789 3.731 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC[C@@H](CF)C3)n2)cc1 ZINC000881596891 1137811274 /nfs/dbraw/zinc/81/12/74/1137811274.db2.gz KITZQBFRPIHWJV-AWEZNQCLSA-N -1 0 345.418 3.523 20 0 EHADRM CC(C)(C)c1ccc([N-]S(=O)(=O)CC(F)(F)F)c(Cl)c1 ZINC001253188806 1137815920 /nfs/dbraw/zinc/81/59/20/1137815920.db2.gz HIHMKHJOIJELFD-UHFFFAOYSA-N -1 0 329.771 3.942 20 0 EHADRM O=S(=O)(/C=C/c1ccccc1F)[N-]c1nccc2sccc21 ZINC000800041591 1137895488 /nfs/dbraw/zinc/89/54/88/1137895488.db2.gz KCJFJIOBXSYSFJ-JXMROGBWSA-N -1 0 334.397 3.848 20 0 EHADRM CC[C@@H]1CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])C[C@@H]1O ZINC000331493901 1137910409 /nfs/dbraw/zinc/91/04/09/1137910409.db2.gz BDSLGGPESWLDLO-PXAZEXFGSA-N -1 0 345.826 3.556 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N2CCC[C@@H]2c2ccccc2C)s1 ZINC000331597289 1137913864 /nfs/dbraw/zinc/91/38/64/1137913864.db2.gz UVLYLVVTHCORDZ-CYBMUJFWSA-N -1 0 348.497 3.749 20 0 EHADRM CCCCO[C@@H]1C[C@H](N(C)C(=O)c2s[n-]c(=O)c2Cl)C1(C)C ZINC000331751683 1137919257 /nfs/dbraw/zinc/91/92/57/1137919257.db2.gz GCCGGOQOGOUYAV-VHSXEESVSA-N -1 0 346.880 3.558 20 0 EHADRM CCCCCC[C@H](CC)C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000116623160 1137926635 /nfs/dbraw/zinc/92/66/35/1137926635.db2.gz NPBXOOFTLXUTPA-ZDUSSCGKSA-N -1 0 349.500 3.940 20 0 EHADRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1C ZINC000332154099 1137933717 /nfs/dbraw/zinc/93/37/17/1137933717.db2.gz MHSBSLWPYVKSCU-CYBMUJFWSA-N -1 0 347.484 3.842 20 0 EHADRM CC(C)(C)c1nnc(NC(=O)c2ccc3[n-]c(=S)oc3c2)s1 ZINC000118777970 1137935088 /nfs/dbraw/zinc/93/50/88/1137935088.db2.gz LSRHIGBSUVRURR-UHFFFAOYSA-N -1 0 334.426 3.518 20 0 EHADRM CCc1onc(C)c1[N-]S(=O)(=O)/C=C/c1ccccc1Cl ZINC000134766240 1137960676 /nfs/dbraw/zinc/96/06/76/1137960676.db2.gz NAMRGSYKOVIMFE-CMDGGOBGSA-N -1 0 326.805 3.611 20 0 EHADRM O=C(Nc1cccc(Cl)c1SCC(F)F)c1cnsn1 ZINC000134997303 1137962320 /nfs/dbraw/zinc/96/23/20/1137962320.db2.gz ALMTWQRCFOXCRC-UHFFFAOYSA-N -1 0 335.788 3.801 20 0 EHADRM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2s[n-]c(=O)c2Cl)C1 ZINC000282935853 1137999319 /nfs/dbraw/zinc/99/93/19/1137999319.db2.gz DCVYBBFROCUEJD-QWRGUYRKSA-N -1 0 336.844 3.829 20 0 EHADRM C[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000084403779 1138180384 /nfs/dbraw/zinc/18/03/84/1138180384.db2.gz BEZVERVRRNPSMB-ZENOOKHLSA-N -1 0 343.402 3.510 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)NCC1(C)CC(F)(F)C1)C1CCCCC1 ZINC000887312702 1138261300 /nfs/dbraw/zinc/26/13/00/1138261300.db2.gz YCAPKZMPXUYEHK-INIZCTEOSA-N -1 0 331.403 3.599 20 0 EHADRM COc1ccc(C2CC2)cc1CNC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000887313579 1138261667 /nfs/dbraw/zinc/26/16/67/1138261667.db2.gz FDBLOGWMFVGGRD-UHFFFAOYSA-N -1 0 345.439 3.614 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H]1C(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC000887316309 1138262909 /nfs/dbraw/zinc/26/29/09/1138262909.db2.gz NXNRFMNSXNFJPB-IJLUTSLNSA-N -1 0 333.281 3.699 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)Nc1ccc2c(c1)C=CC1(CCC1)O2)C(=O)[O-] ZINC000887324058 1138266094 /nfs/dbraw/zinc/26/60/94/1138266094.db2.gz PXHZSVWSDVGLKL-NWDGAFQWSA-N -1 0 347.436 3.548 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1)C1CC1 ZINC000887382250 1138293950 /nfs/dbraw/zinc/29/39/50/1138293950.db2.gz BBVGOEBXQAQVST-PELKAZGASA-N -1 0 348.296 3.729 20 0 EHADRM O=C([O-])CN(C(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1)C1CCC1 ZINC000887382530 1138294475 /nfs/dbraw/zinc/29/44/75/1138294475.db2.gz KKGXBYPGMVSSNZ-ZDUSSCGKSA-N -1 0 348.296 3.731 20 0 EHADRM CCCOc1ccc(NC(=O)NCC2(C(=O)[O-])CC2)cc1C(C)C ZINC000887394360 1138302420 /nfs/dbraw/zinc/30/24/20/1138302420.db2.gz ONMNJMNKTAXQGC-UHFFFAOYSA-N -1 0 334.416 3.585 20 0 EHADRM Cc1cc(F)ncc1Nc1ccc(S(=O)(=O)[O-])c2ccccc12 ZINC001212817070 1138391226 /nfs/dbraw/zinc/39/12/26/1138391226.db2.gz YMBXODAAZFUOMR-UHFFFAOYSA-N -1 0 332.356 3.673 20 0 EHADRM Cc1ccc(C)c(S([O-])=CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)c1 ZINC000264576733 1138564373 /nfs/dbraw/zinc/56/43/73/1138564373.db2.gz UVVCYWFEPNQHFA-OWJWWREXSA-N -1 0 347.455 3.770 20 0 EHADRM CCC(CC)(CC(=O)Nc1ccc(OC(F)F)cc1F)C(=O)[O-] ZINC000337738368 1138656455 /nfs/dbraw/zinc/65/64/55/1138656455.db2.gz BQVFRLAGTCKWEA-UHFFFAOYSA-N -1 0 333.306 3.647 20 0 EHADRM CSc1cccc(S(=O)(=O)[N-]c2nc3ccsc3s2)c1 ZINC000337760586 1138661760 /nfs/dbraw/zinc/66/17/60/1138661760.db2.gz KACUUHDJMHPQCW-UHFFFAOYSA-N -1 0 342.492 3.881 20 0 EHADRM CSc1cccc(S(=O)(=O)[N-]c2ccc3ccccc3n2)c1 ZINC000337775162 1138665241 /nfs/dbraw/zinc/66/52/41/1138665241.db2.gz PSGORGNAFDMJMV-UHFFFAOYSA-N -1 0 330.434 3.758 20 0 EHADRM Cc1ccc([C@@H]2OCCC[C@@H]2N=c2[n-]nc(C(F)F)s2)cc1 ZINC000337870010 1138686831 /nfs/dbraw/zinc/68/68/31/1138686831.db2.gz NETBUFMMTFQTFE-RYUDHWBXSA-N -1 0 325.384 3.538 20 0 EHADRM CO[C@H](C)c1nc(=N[C@H]2CCCOc3cc(Cl)ccc32)s[n-]1 ZINC000337885386 1138690796 /nfs/dbraw/zinc/69/07/96/1138690796.db2.gz XMNHPFNWWKGHFG-SKDRFNHKSA-N -1 0 339.848 3.647 20 0 EHADRM CO[C@H](C)c1nc(=N[C@@H]2CCCOc3cc(Cl)ccc32)s[n-]1 ZINC000337885382 1138690819 /nfs/dbraw/zinc/69/08/19/1138690819.db2.gz XMNHPFNWWKGHFG-BXKDBHETSA-N -1 0 339.848 3.647 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N[C@H](CC)c2ccc(C)cc2)s1 ZINC000338263383 1138806026 /nfs/dbraw/zinc/80/60/26/1138806026.db2.gz KOECORGOTAPXSR-GFCCVEGCSA-N -1 0 336.486 3.653 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)cc(C(F)(F)F)c1)c1ccoc1 ZINC000350829441 1139441223 /nfs/dbraw/zinc/44/12/23/1139441223.db2.gz IWHQQHFVKITLEO-UHFFFAOYSA-N -1 0 325.695 3.753 20 0 EHADRM C[C@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)[C@@H]1c1cccc(F)c1 ZINC000175149941 1139468157 /nfs/dbraw/zinc/46/81/57/1139468157.db2.gz IQGWFPDEQAQOHP-ZBEGNZNMSA-N -1 0 343.427 3.707 20 0 EHADRM CCC[C@@H](NC(=O)CSc1n[n-]c(=S)s1)c1ccccc1 ZINC000175966366 1139531153 /nfs/dbraw/zinc/53/11/53/1139531153.db2.gz ZCCGBMXXYBVFLF-LLVKDONJSA-N -1 0 339.511 3.950 20 0 EHADRM COc1ccc([C@H]2CCCN2C(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000177004158 1139592078 /nfs/dbraw/zinc/59/20/78/1139592078.db2.gz KNMIFBRATCZCPH-MRXNPFEDSA-N -1 0 333.334 3.656 20 0 EHADRM COc1ccc(C(C)(C)C(=O)Nc2cccc(Cl)c2[O-])cc1OC ZINC000178358057 1139689172 /nfs/dbraw/zinc/68/91/72/1139689172.db2.gz YBBUPHTVVVMBKZ-UHFFFAOYSA-N -1 0 349.814 3.979 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCC[C@H](C)C2)c1Cl ZINC000777349409 1139784483 /nfs/dbraw/zinc/78/44/83/1139784483.db2.gz JTWJSGXOGFLRPN-WCQYABFASA-N -1 0 343.876 3.670 20 0 EHADRM Cc1ccc([C@H]2CCCCN2C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000180008355 1139800715 /nfs/dbraw/zinc/80/07/15/1139800715.db2.gz ACYBLBQVBFHOBA-OKZBNKHCSA-N -1 0 329.440 3.940 20 0 EHADRM Cc1ccc(C)c([C@H]2CCCN2C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000180129415 1139811497 /nfs/dbraw/zinc/81/14/97/1139811497.db2.gz UGTPVOQDGBCJAK-SOLBZPMBSA-N -1 0 329.440 3.858 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nc(C)c(Cl)cc2Cl)c(C)o1 ZINC000180212217 1139818878 /nfs/dbraw/zinc/81/88/78/1139818878.db2.gz LAJHTSPAMNHFGX-UHFFFAOYSA-N -1 0 335.212 3.707 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)c(C)o1 ZINC000182808734 1139994730 /nfs/dbraw/zinc/99/47/30/1139994730.db2.gz BRLINAONAJNYPV-UHFFFAOYSA-N -1 0 333.331 3.802 20 0 EHADRM Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184523079 1140107593 /nfs/dbraw/zinc/10/75/93/1140107593.db2.gz BKLIWCKGVGPSEW-CYBMUJFWSA-N -1 0 337.782 3.502 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)c1occc1CSc1ccccc1 ZINC000184882630 1140123927 /nfs/dbraw/zinc/12/39/27/1140123927.db2.gz BDDFCQDXCYZTEI-UHFFFAOYSA-N -1 0 333.409 3.509 20 0 EHADRM CC[C@H](C)Oc1cc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)ccn1 ZINC000777416838 1140164337 /nfs/dbraw/zinc/16/43/37/1140164337.db2.gz QWZPDCSANVSTAN-JTQLQIEISA-N -1 0 343.408 3.941 20 0 EHADRM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2cc(F)c([O-])c(F)c2)s1 ZINC000186831619 1140224265 /nfs/dbraw/zinc/22/42/65/1140224265.db2.gz QFFPEJRSZXCXPR-SECBINFHSA-N -1 0 340.395 3.831 20 0 EHADRM O=C([O-])C1CCC(C(=O)N(Cc2ccccc2)CC2CCC2)CC1 ZINC000194403302 1140607496 /nfs/dbraw/zinc/60/74/96/1140607496.db2.gz AFIPCJZFPFGQLN-UHFFFAOYSA-N -1 0 329.440 3.706 20 0 EHADRM O=C([O-])C1CCC(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)CC1 ZINC000194411473 1140608663 /nfs/dbraw/zinc/60/86/63/1140608663.db2.gz MQLXCCTUEYISPB-DQPZFDDXSA-N -1 0 333.403 3.674 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1ccc(OC2CCOCC2)cc1 ZINC000266476173 1140692144 /nfs/dbraw/zinc/69/21/44/1140692144.db2.gz UAYPQPQPCWBPES-UHFFFAOYSA-N -1 0 347.798 3.856 20 0 EHADRM CC(C)c1cc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)no1 ZINC000267093808 1140757846 /nfs/dbraw/zinc/75/78/46/1140757846.db2.gz TWMDEUZIXJDDLO-UHFFFAOYSA-N -1 0 335.212 3.906 20 0 EHADRM CC(=O)c1ccc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)cc1C ZINC000270420845 1141221629 /nfs/dbraw/zinc/22/16/29/1141221629.db2.gz LAPPFDRJYPPCRU-HXUWFJFHSA-N -1 0 339.391 3.569 20 0 EHADRM O=S(=O)([N-]c1cccc(-n2cccc2)c1)c1cc(F)cc(F)c1 ZINC000339127196 1141503942 /nfs/dbraw/zinc/50/39/42/1141503942.db2.gz XWCKMZTVWLRGDM-UHFFFAOYSA-N -1 0 334.347 3.556 20 0 EHADRM O=C(N[C@H]1CCSc2ccc(F)cc21)c1s[n-]c(=O)c1Cl ZINC000339227969 1141534944 /nfs/dbraw/zinc/53/49/44/1141534944.db2.gz AIZPNYFXMNUUPK-QMMMGPOBSA-N -1 0 344.820 3.608 20 0 EHADRM Cc1cc2cc(C=Cc3nc(C)c(CC(=O)[O-])c(=O)[nH]3)oc2cc1C ZINC000349113701 1141641406 /nfs/dbraw/zinc/64/14/06/1141641406.db2.gz SUVZSNVPHFLXGU-PLNGDYQASA-N -1 0 338.363 3.651 20 0 EHADRM COc1ccc(OCCCC(=O)Nc2sc(C)cc2C(=O)[O-])cc1 ZINC000020333056 202039127 /nfs/dbraw/zinc/03/91/27/202039127.db2.gz VRBVBKVOZQLJBW-UHFFFAOYSA-N -1 0 349.408 3.561 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000023371111 202103081 /nfs/dbraw/zinc/10/30/81/202103081.db2.gz RBMJQUFJRYRUSV-UHFFFAOYSA-N -1 0 326.421 3.961 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)c1csc(Br)c1 ZINC000036979651 202334145 /nfs/dbraw/zinc/33/41/45/202334145.db2.gz CLKBXGQOAPXWRJ-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM O=C([O-])Cc1ccc(OCc2cc(F)ccc2Br)cc1 ZINC000019843622 212075134 /nfs/dbraw/zinc/07/51/34/212075134.db2.gz VCPLCUZFDQDMCK-UHFFFAOYSA-N -1 0 339.160 3.794 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)c1ccc(Br)cc1F ZINC000013261462 207367788 /nfs/dbraw/zinc/36/77/88/207367788.db2.gz IWCBWUVIBCBKPU-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM O=S(=O)(Nc1cccc(C(F)F)c1)c1cccc(Cl)c1[O-] ZINC000436475096 450602086 /nfs/dbraw/zinc/60/20/86/450602086.db2.gz FRGQVLYXQJGPGA-UHFFFAOYSA-N -1 0 333.743 3.784 20 0 EHADRM Cc1cccc(CS(=O)(=O)c2nnc(Nc3ccccc3)s2)c1 ZINC000518683956 478183876 /nfs/dbraw/zinc/18/38/76/478183876.db2.gz JWRFYENFZDRRSQ-UHFFFAOYSA-N -1 0 345.449 3.564 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000139447230 524920642 /nfs/dbraw/zinc/92/06/42/524920642.db2.gz AJIMDMGSOGPNRT-KBXCAEBGSA-N -1 0 343.398 3.727 20 0 EHADRM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000818085503 596925479 /nfs/dbraw/zinc/92/54/79/596925479.db2.gz ZCYDLVILBOLTKG-KDOFPFPSSA-N -1 0 338.407 3.724 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)C2CCC(c3ccccc3)CC2)C1 ZINC000676217864 597098203 /nfs/dbraw/zinc/09/82/03/597098203.db2.gz DEEZKZKQIXVBKY-FAEJEUNOSA-N -1 0 329.440 3.674 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)c2ccccc2SC(F)(F)F)C1 ZINC000390454302 597100729 /nfs/dbraw/zinc/10/07/29/597100729.db2.gz CDELXAROSVQPJK-SNVBAGLBSA-N -1 0 347.358 3.625 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)Nc2ccccc2OC2CCCC2)C1 ZINC000582953998 597117711 /nfs/dbraw/zinc/11/77/11/597117711.db2.gz LJEIIAMTMOGCDQ-CQSZACIVSA-N -1 0 346.427 3.727 20 0 EHADRM CC[C@H]1c2ccsc2CCN1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737795699 597195900 /nfs/dbraw/zinc/19/59/00/597195900.db2.gz KKFBMFQXPVJFSE-HNNXBMFYSA-N -1 0 344.436 3.917 20 0 EHADRM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737721995 597196121 /nfs/dbraw/zinc/19/61/21/597196121.db2.gz UBBSLDCPDANLHA-LLVKDONJSA-N -1 0 348.349 3.817 20 0 EHADRM C[C@H](CNC(=O)Nc1cccc(CC(=O)[O-])c1)c1ccc(F)cc1F ZINC000818008673 597203821 /nfs/dbraw/zinc/20/38/21/597203821.db2.gz IUCHPZKSYMFDQY-LLVKDONJSA-N -1 0 348.349 3.517 20 0 EHADRM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000324949039 597230860 /nfs/dbraw/zinc/23/08/60/597230860.db2.gz GHJMJLIOYLPFMK-LBPRGKRZSA-N -1 0 346.814 3.941 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000737784666 597316506 /nfs/dbraw/zinc/31/65/06/597316506.db2.gz WUQPQJOVPYTSMZ-MRXNPFEDSA-N -1 0 329.421 3.823 20 0 EHADRM CC(C)(C(=O)Nc1ccccc1CC(=O)[O-])c1cccc(Cl)c1 ZINC000817791287 597316903 /nfs/dbraw/zinc/31/69/03/597316903.db2.gz CIHNXMJTHIUQCT-UHFFFAOYSA-N -1 0 331.799 3.883 20 0 EHADRM CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818149307 597324610 /nfs/dbraw/zinc/32/46/10/597324610.db2.gz WUKUNKSRGLHOBY-OAHLLOKOSA-N -1 0 344.436 3.917 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000819608779 597325368 /nfs/dbraw/zinc/32/53/68/597325368.db2.gz BEBABTGXMPDOER-NWDGAFQWSA-N -1 0 344.333 3.556 20 0 EHADRM CN(Cc1ccc(Cl)s1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000315864104 597327056 /nfs/dbraw/zinc/32/70/56/597327056.db2.gz IXRDYOAKIONNFE-UHFFFAOYSA-N -1 0 338.816 3.693 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)NCc1cccc2ccccc21 ZINC000327461329 597336044 /nfs/dbraw/zinc/33/60/44/597336044.db2.gz ZTEHOVHVEBVESF-UHFFFAOYSA-N -1 0 334.375 3.789 20 0 EHADRM Cc1ccc([C@H](NC(=O)Nc2ccccc2CC(=O)[O-])C2CC2)cc1 ZINC000818885389 597336911 /nfs/dbraw/zinc/33/69/11/597336911.db2.gz SMCXDTBIMOAPRN-IBGZPJMESA-N -1 0 338.407 3.895 20 0 EHADRM CC[C@H](NC(=O)Nc1ccccc1CC(=O)[O-])c1ccc(F)cc1F ZINC000818143755 597338209 /nfs/dbraw/zinc/33/82/09/597338209.db2.gz SPGGXXYBIOVCRN-HNNXBMFYSA-N -1 0 348.349 3.865 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000819610410 597340342 /nfs/dbraw/zinc/34/03/42/597340342.db2.gz QVEYMFPGQPSYSH-INIZCTEOSA-N -1 0 344.798 3.776 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1ccc(C)c(-c2nc(C)co2)c1)C(=O)[O-] ZINC000520325627 597404747 /nfs/dbraw/zinc/40/47/47/597404747.db2.gz BBTWYINVZITUBU-BONVTDFDSA-N -1 0 345.399 3.579 20 0 EHADRM O=C([O-])C1CCC(Nc2cccc(OCc3cscn3)c2)CC1 ZINC000582533853 598110544 /nfs/dbraw/zinc/11/05/44/598110544.db2.gz RNTOZXNDNMBHAV-UHFFFAOYSA-N -1 0 332.425 3.777 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2c(F)cccc2Br)c1 ZINC000232137194 598150991 /nfs/dbraw/zinc/15/09/91/598150991.db2.gz NIEAALUNQNSSDG-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N[C@H](c1ccccc1)c1ccncc1 ZINC000821475500 598176987 /nfs/dbraw/zinc/17/69/87/598176987.db2.gz WZVHVDUNAIRBFG-GOSISDBHSA-N -1 0 347.374 3.691 20 0 EHADRM Cc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccccc1C(=O)[O-])CCC2 ZINC000821181867 598179019 /nfs/dbraw/zinc/17/90/19/598179019.db2.gz MKMLOGYJQDQUAL-CQSZACIVSA-N -1 0 345.424 3.691 20 0 EHADRM CC(C)N(Cc1cccs1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000390691139 598191416 /nfs/dbraw/zinc/19/14/16/598191416.db2.gz PQBYKBFZUAUKEM-UHFFFAOYSA-N -1 0 332.425 3.567 20 0 EHADRM CCCCCCN(C(=O)CCNC(=O)[O-])c1nc2ccccc2s1 ZINC000736983975 599707017 /nfs/dbraw/zinc/70/70/17/599707017.db2.gz URDSSHVJWQFFCO-UHFFFAOYSA-N -1 0 349.456 3.867 20 0 EHADRM CCCC[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)[O-] ZINC000736986373 599709922 /nfs/dbraw/zinc/70/99/22/599709922.db2.gz UZJZJCGWACSUOK-CQSZACIVSA-N -1 0 331.441 3.880 20 0 EHADRM C[C@@H](CN(C)C(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccccc1 ZINC000736568492 599710366 /nfs/dbraw/zinc/71/03/66/599710366.db2.gz AZDHWJSRHVIPDD-LBPRGKRZSA-N -1 0 330.359 3.791 20 0 EHADRM CCOc1cccc(CNC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000737210362 599714365 /nfs/dbraw/zinc/71/43/65/599714365.db2.gz GZIPVRFYFKCRIR-UHFFFAOYSA-N -1 0 347.346 3.636 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(CC(=O)[O-])cc2)cc(C)c1OC(F)F ZINC000542504367 599715691 /nfs/dbraw/zinc/71/56/91/599715691.db2.gz MPYBWVQFAQPQBQ-UHFFFAOYSA-N -1 0 349.333 3.784 20 0 EHADRM CN(Cc1ccc(F)cc1)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000737472109 599718326 /nfs/dbraw/zinc/71/83/26/599718326.db2.gz MXDKIFJNSVEHQM-UHFFFAOYSA-N -1 0 335.310 3.719 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cccc(Cl)c2Cl)c1O ZINC000124625159 599720459 /nfs/dbraw/zinc/72/04/59/599720459.db2.gz NSCDQIIJEOFHPR-UHFFFAOYSA-N -1 0 326.135 3.650 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)o1 ZINC000740134337 599721068 /nfs/dbraw/zinc/72/10/68/599721068.db2.gz TZAXFQBQGRTQLW-SJORKVTESA-N -1 0 336.343 3.978 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000236734911 599724255 /nfs/dbraw/zinc/72/42/55/599724255.db2.gz JODPADOSTAIMEU-OALUTQOASA-N -1 0 339.435 3.903 20 0 EHADRM CCCCN([C@H](C)CC)S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000320645744 599726376 /nfs/dbraw/zinc/72/63/76/599726376.db2.gz FSEOQZZOZPQZLR-LLVKDONJSA-N -1 0 347.864 3.628 20 0 EHADRM COc1ccc([C@@H]2CCCCCN2C(=O)CCCN(C)C(=O)[O-])cc1 ZINC000737987679 599727139 /nfs/dbraw/zinc/72/71/39/599727139.db2.gz YAGUVTUWXLVIBA-KRWDZBQOSA-N -1 0 348.443 3.529 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)n1cnc2ccccc21 ZINC000325045494 599730040 /nfs/dbraw/zinc/73/00/40/599730040.db2.gz OAVNPBPGTUKNIT-JTQLQIEISA-N -1 0 343.770 3.588 20 0 EHADRM CC[C@H](CC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1)C(C)C ZINC000236927130 599731021 /nfs/dbraw/zinc/73/10/21/599731021.db2.gz LHSZNHHLBBFIJH-CYBMUJFWSA-N -1 0 342.439 3.823 20 0 EHADRM O=C([O-])c1cccc(C(=O)Oc2ccccc2OCC(F)(F)F)c1 ZINC000740220006 599731112 /nfs/dbraw/zinc/73/11/12/599731112.db2.gz CDLILCKCKCZOJQ-UHFFFAOYSA-N -1 0 340.253 3.545 20 0 EHADRM C[C@H](c1ccccc1)c1ccc(OC(=O)CCCNC(=O)[O-])cc1 ZINC000736726160 599732299 /nfs/dbraw/zinc/73/22/99/599732299.db2.gz YVQXFNIFKXNWPX-CQSZACIVSA-N -1 0 327.380 3.792 20 0 EHADRM CC[C@H](NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)C1CCCCC1 ZINC000324465791 599737279 /nfs/dbraw/zinc/73/72/79/599737279.db2.gz ZKAZZEKEMVGNHL-KRWDZBQOSA-N -1 0 332.444 3.885 20 0 EHADRM CN(CCCC(=O)N1CCC[C@@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000737417429 599740082 /nfs/dbraw/zinc/74/00/82/599740082.db2.gz FIJCBNQIPOSZLH-GOSISDBHSA-N -1 0 340.423 3.893 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)CCCN(C)C(=O)[O-])ccc21 ZINC000736456398 599741548 /nfs/dbraw/zinc/74/15/48/599741548.db2.gz VZAKILRIPKILJV-UHFFFAOYSA-N -1 0 331.416 3.626 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000236972108 599744246 /nfs/dbraw/zinc/74/42/46/599744246.db2.gz SGYVMQUYKUXJSF-KBXCAEBGSA-N -1 0 325.408 3.685 20 0 EHADRM CCc1ccc([C@H](C)C(=O)Oc2ccc(C(=O)[O-])cc2OC)cc1 ZINC000737255964 599744468 /nfs/dbraw/zinc/74/44/68/599744468.db2.gz DSMOADPGTNQQKE-LBPRGKRZSA-N -1 0 328.364 3.665 20 0 EHADRM O=C([O-])c1cccc(OC(=O)Cc2c[nH]c3cc(Cl)ccc23)c1 ZINC000739337688 599745055 /nfs/dbraw/zinc/74/50/55/599745055.db2.gz CUZFYFOHNSCUAU-UHFFFAOYSA-N -1 0 329.739 3.668 20 0 EHADRM CC[C@H](CC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1)C(C)C ZINC000736893321 599746780 /nfs/dbraw/zinc/74/67/80/599746780.db2.gz XDHUAKFYLGDPRH-CQSZACIVSA-N -1 0 325.836 3.826 20 0 EHADRM CC(C)Sc1ccc(Cl)cc1NC(=O)CCSCC(=O)[O-] ZINC000736498955 599758924 /nfs/dbraw/zinc/75/89/24/599758924.db2.gz RCFFDKNEYWOPBJ-UHFFFAOYSA-N -1 0 347.889 3.987 20 0 EHADRM CC(C)N(Cc1cccs1)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000324560355 599760533 /nfs/dbraw/zinc/76/05/33/599760533.db2.gz YKIIIFUNDDLLIQ-UHFFFAOYSA-N -1 0 346.452 3.609 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000738121441 599772914 /nfs/dbraw/zinc/77/29/14/599772914.db2.gz PWNVCBXFMBCCBE-YPKPFQOOSA-N -1 0 339.391 3.754 20 0 EHADRM COc1cc(Cl)ccc1CNC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000737889219 599783010 /nfs/dbraw/zinc/78/30/10/599783010.db2.gz NAMRSGQFMFJAJB-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM Cc1nc(-c2ccco2)ccc1C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000738838103 599790107 /nfs/dbraw/zinc/79/01/07/599790107.db2.gz QURYTWZCZRHNTI-LLVKDONJSA-N -1 0 341.319 3.859 20 0 EHADRM O=C([O-])c1coc(COC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)c1 ZINC000740268072 599791425 /nfs/dbraw/zinc/79/14/25/599791425.db2.gz PLGBBQFTMZELAH-ZWKOTPCHSA-N -1 0 336.343 3.978 20 0 EHADRM CCc1[nH]c(C(=O)N[C@@H](C)C(C)(C)c2ccccc2)c(C)c1C(=O)[O-] ZINC000737240181 599798445 /nfs/dbraw/zinc/79/84/45/599798445.db2.gz IBDKQBFHFOBBQM-ZDUSSCGKSA-N -1 0 342.439 3.680 20 0 EHADRM O=C([O-])CSCCC(=O)O[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000739852761 599801123 /nfs/dbraw/zinc/80/11/23/599801123.db2.gz NCIHPOAHOCLMQL-SFHVURJKSA-N -1 0 348.395 3.666 20 0 EHADRM CC(C)c1nc(C(=O)N2CCCc3c(C(=O)[O-])cccc32)cs1 ZINC000736523508 599809039 /nfs/dbraw/zinc/80/90/39/599809039.db2.gz YRHDLOSMEXBEPL-UHFFFAOYSA-N -1 0 330.409 3.558 20 0 EHADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000736632586 599809139 /nfs/dbraw/zinc/80/91/39/599809139.db2.gz GHEDXLZSASEOPA-RDTXWAMCSA-N -1 0 340.423 3.823 20 0 EHADRM CCN(CC(=O)[O-])C(=O)c1cc(C)c(-c2cccc(Cl)c2)s1 ZINC000737076465 599810959 /nfs/dbraw/zinc/81/09/59/599810959.db2.gz PGSPSFFLFIEXAK-UHFFFAOYSA-N -1 0 337.828 3.924 20 0 EHADRM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)C[C@H]1CCCc2ccccc21 ZINC000262368995 599814146 /nfs/dbraw/zinc/81/41/46/599814146.db2.gz FSKIBWGGODXJJU-XLIONFOSSA-N -1 0 349.430 3.535 20 0 EHADRM Cc1cccc2c1CC[C@H]2NC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000738747000 599817108 /nfs/dbraw/zinc/81/71/08/599817108.db2.gz CDKBUJAXYZFUTL-OAHLLOKOSA-N -1 0 328.343 3.641 20 0 EHADRM C[C@H]1CCC[C@H]1NC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000736777350 599822422 /nfs/dbraw/zinc/82/24/22/599822422.db2.gz BOFLFJCNIXBVCL-SWLSCSKDSA-N -1 0 336.457 3.705 20 0 EHADRM CN(C(=O)c1ccc(SCc2ccccc2)cc1)C(C)(C)C(=O)[O-] ZINC000262497962 599826053 /nfs/dbraw/zinc/82/60/53/599826053.db2.gz XUOYPWIJEFAKKL-UHFFFAOYSA-N -1 0 343.448 3.914 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)[C@H](NC(=O)[O-])C(C)C ZINC000737229462 599828963 /nfs/dbraw/zinc/82/89/63/599828963.db2.gz MIMSJVAQIHYSTK-GFCCVEGCSA-N -1 0 330.837 3.683 20 0 EHADRM Cc1ccc(CN(C)C(=O)Nc2ccc(CCC(=O)[O-])cc2)s1 ZINC000738593866 599829937 /nfs/dbraw/zinc/82/99/37/599829937.db2.gz CQYDCCPBOHXYDC-UHFFFAOYSA-N -1 0 332.425 3.738 20 0 EHADRM C[C@H](Cc1ccccc1F)NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000736628243 599830879 /nfs/dbraw/zinc/83/08/79/599830879.db2.gz APUJNNYHORBEIT-CYBMUJFWSA-N -1 0 344.386 3.596 20 0 EHADRM O=C([O-])/C(=C/c1cc(Cl)c2c(c1)OCCCO2)c1ccncc1 ZINC000739488895 599831544 /nfs/dbraw/zinc/83/15/44/599831544.db2.gz COSXSNYBURLNJX-MDWZMJQESA-N -1 0 331.755 3.522 20 0 EHADRM CCCOc1cccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)c1 ZINC000391643735 599834519 /nfs/dbraw/zinc/83/45/19/599834519.db2.gz HBOPRQLJNZGGNA-UHFFFAOYSA-N -1 0 345.420 3.976 20 0 EHADRM CCc1ccc(CN(C)C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000737264860 599836340 /nfs/dbraw/zinc/83/63/40/599836340.db2.gz LTCZDAMBNLAJMG-UHFFFAOYSA-N -1 0 330.359 3.750 20 0 EHADRM O=C([O-])c1ccccc1CSc1nnc(Cc2ccccc2F)o1 ZINC000740239575 599838796 /nfs/dbraw/zinc/83/87/96/599838796.db2.gz HZUFPHQXHBYTGZ-UHFFFAOYSA-N -1 0 344.367 3.790 20 0 EHADRM CN(CCCC(=O)Oc1ccccc1Cc1ccccc1)C(=O)[O-] ZINC000737438123 599839030 /nfs/dbraw/zinc/83/90/30/599839030.db2.gz DHOKXXITUFDFIG-UHFFFAOYSA-N -1 0 327.380 3.573 20 0 EHADRM Cc1cc(F)ccc1N(Cc1ccco1)C(=O)CCCN(C)C(=O)[O-] ZINC000738402385 599840793 /nfs/dbraw/zinc/84/07/93/599840793.db2.gz QNOTWBUIMHDWRT-UHFFFAOYSA-N -1 0 348.374 3.650 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)c1ccccc1OCC1CC1 ZINC000739485050 599842864 /nfs/dbraw/zinc/84/28/64/599842864.db2.gz JBHNWPVGCCNERN-UHFFFAOYSA-N -1 0 329.327 3.565 20 0 EHADRM O=C([O-])c1coc(COc2cccc(C(=O)Nc3ccccc3)c2)c1 ZINC000740269667 599845735 /nfs/dbraw/zinc/84/57/35/599845735.db2.gz TVQYQJIFNFRDIP-UHFFFAOYSA-N -1 0 337.331 3.809 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C)c(F)c2)cc1 ZINC000237362313 599846784 /nfs/dbraw/zinc/84/67/84/599846784.db2.gz PIQGEFICXOCASX-INIZCTEOSA-N -1 0 347.411 3.802 20 0 EHADRM CC(C)(C)c1ccc(OCC(=O)Nc2cccc(F)c2C(=O)[O-])cc1 ZINC000736300155 599847922 /nfs/dbraw/zinc/84/79/22/599847922.db2.gz VICMAOUHMQQNPV-UHFFFAOYSA-N -1 0 345.370 3.839 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)COc1ccc2ccccc2c1 ZINC000739329293 599848195 /nfs/dbraw/zinc/84/81/95/599848195.db2.gz QNLSTQCLIVGPFE-UHFFFAOYSA-N -1 0 339.322 3.695 20 0 EHADRM Cc1ccccc1-c1cccc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)[O-])c1 ZINC000736751036 599849648 /nfs/dbraw/zinc/84/96/48/599849648.db2.gz OASKYZGYUXZYOU-SFHVURJKSA-N -1 0 336.391 3.717 20 0 EHADRM CCC[C@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)C1CCCCC1 ZINC000736972586 599850391 /nfs/dbraw/zinc/85/03/91/599850391.db2.gz HOHHUNKMXYKAHC-KRWDZBQOSA-N -1 0 333.428 3.629 20 0 EHADRM Cc1ccc(-c2cc(C(=O)N(C)CC(=O)[O-])c3ccccc3n2)c(C)c1 ZINC000153099233 599852023 /nfs/dbraw/zinc/85/20/23/599852023.db2.gz UIVWIAPCTCEBQH-UHFFFAOYSA-N -1 0 348.402 3.675 20 0 EHADRM Cc1ccsc1C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000676018196 599871909 /nfs/dbraw/zinc/87/19/09/599871909.db2.gz BABWJQUAHPPDSU-UHFFFAOYSA-N -1 0 331.418 3.899 20 0 EHADRM Cc1nc(-c2ccccc2)sc1COC(=O)CCCN(C)C(=O)[O-] ZINC000738831912 599872190 /nfs/dbraw/zinc/87/21/90/599872190.db2.gz KBSLYEKPRYXUPM-UHFFFAOYSA-N -1 0 348.424 3.552 20 0 EHADRM CCc1nnc(CNc2ccc(Oc3ccccc3)cc2C(=O)[O-])o1 ZINC000737288274 599873998 /nfs/dbraw/zinc/87/39/98/599873998.db2.gz RQMRUDSFJGKWGN-UHFFFAOYSA-N -1 0 339.351 3.735 20 0 EHADRM Cc1ccc(C(C)C)cc1OCC(=O)OCc1cc(C(=O)[O-])co1 ZINC000738550085 599877849 /nfs/dbraw/zinc/87/78/49/599877849.db2.gz DTEIOBYYDGVIRE-UHFFFAOYSA-N -1 0 332.352 3.532 20 0 EHADRM CCCO[C@@H]1CCCN(C(=O)Nc2cccc(C(=O)[O-])c2C)CC1 ZINC000737027683 599879828 /nfs/dbraw/zinc/87/98/28/599879828.db2.gz HGXLHVZEFZXZLS-CQSZACIVSA-N -1 0 334.416 3.506 20 0 EHADRM Cc1sc(NC(=O)N2CCC[C@H]2c2ccncc2)c(C(=O)[O-])c1C ZINC000324848752 599880162 /nfs/dbraw/zinc/88/01/62/599880162.db2.gz DPROMPJXMYUVDI-ZDUSSCGKSA-N -1 0 345.424 3.827 20 0 EHADRM CCC[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC000736972943 599881744 /nfs/dbraw/zinc/88/17/44/599881744.db2.gz HTDUQFZJRIGCSQ-GOEBONIOSA-N -1 0 348.443 3.552 20 0 EHADRM CCOCc1cccc(NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000737177711 599893338 /nfs/dbraw/zinc/89/33/38/599893338.db2.gz IASYDFSWKYJLQZ-UHFFFAOYSA-N -1 0 342.395 3.585 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000675966251 599901087 /nfs/dbraw/zinc/90/10/87/599901087.db2.gz KGIWENTWTKLKLK-LBPRGKRZSA-N -1 0 327.380 3.834 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000738120167 599901548 /nfs/dbraw/zinc/90/15/48/599901548.db2.gz JLOZLUCCDLHTRH-SNVBAGLBSA-N -1 0 349.333 3.804 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C/C(=O)OCc1ccoc1C(=O)[O-] ZINC000736892534 599903852 /nfs/dbraw/zinc/90/38/52/599903852.db2.gz VFYXMRVZQHOBRH-MMQHEFTJSA-N -1 0 344.363 3.912 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C\C(=O)OCc1ccoc1C(=O)[O-] ZINC000736892532 599904015 /nfs/dbraw/zinc/90/40/15/599904015.db2.gz VFYXMRVZQHOBRH-LJTDUEICSA-N -1 0 344.363 3.912 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)c2ccc(NC(=O)[O-])cc2)c(C)c1 ZINC000738271037 599904517 /nfs/dbraw/zinc/90/45/17/599904517.db2.gz VVTNNOZFQQKYQC-CQSZACIVSA-N -1 0 326.396 3.754 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000738122162 599906740 /nfs/dbraw/zinc/90/67/40/599906740.db2.gz YMYYGJZMKNRBJL-LBPRGKRZSA-N -1 0 328.368 3.917 20 0 EHADRM CCn1c(C)nnc1SCc1c2ccccc2sc1C(=O)[O-] ZINC000737293763 599908297 /nfs/dbraw/zinc/90/82/97/599908297.db2.gz KHEJQAKYOZWIPW-UHFFFAOYSA-N -1 0 333.438 3.812 20 0 EHADRM Cc1cc(NC(=O)CSc2nc3ccccc3o2)ccc1C(=O)[O-] ZINC000324318714 599918401 /nfs/dbraw/zinc/91/84/01/599918401.db2.gz GYLLSGSNRWJOMT-UHFFFAOYSA-N -1 0 342.376 3.565 20 0 EHADRM C[C@H](CN(C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1)C1CC1)C(=O)[O-] ZINC000262204821 599930562 /nfs/dbraw/zinc/93/05/62/599930562.db2.gz PBXPVRGRMWCCFH-GFCCVEGCSA-N -1 0 342.439 3.791 20 0 EHADRM C/C(=C/C(=O)N[C@H](CCC(=O)[O-])c1ccccc1)c1ccc(F)cc1 ZINC000736120949 599931367 /nfs/dbraw/zinc/93/13/67/599931367.db2.gz MPBAVFQUKKOWLG-SWNWVQGVSA-N -1 0 341.382 3.951 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)c1cccc(-n2cccc2)c1)c1ccccc1 ZINC000362331549 599935147 /nfs/dbraw/zinc/93/51/47/599935147.db2.gz ZJNPONNZPXCMQX-LJQANCHMSA-N -1 0 348.402 3.813 20 0 EHADRM O=C([O-])c1ccc2ccccc2c1OCc1cn(-c2ccccc2)nn1 ZINC000740203498 599936756 /nfs/dbraw/zinc/93/67/56/599936756.db2.gz QYRDXUHTIHMOAH-UHFFFAOYSA-N -1 0 345.358 3.698 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000485465922 599939754 /nfs/dbraw/zinc/93/97/54/599939754.db2.gz WEUGWYHVCAJVKX-QGZVFWFLSA-N -1 0 347.455 3.681 20 0 EHADRM C[C@@H](OC(=O)Cc1csc(C(C)(C)C)n1)c1ccc(C(=O)[O-])o1 ZINC000736692887 599946223 /nfs/dbraw/zinc/94/62/23/599946223.db2.gz KPDZOSBSHWRHHC-SECBINFHSA-N -1 0 337.397 3.579 20 0 EHADRM CN1C(=O)c2ccccc2N[C@H]1c1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000737506155 599956689 /nfs/dbraw/zinc/95/66/89/599956689.db2.gz SGVXWVNSAHIETQ-GOSISDBHSA-N -1 0 348.358 3.841 20 0 EHADRM CC(C)COc1ccccc1C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000736449043 599970848 /nfs/dbraw/zinc/97/08/48/599970848.db2.gz WTSDHLSPUYJVCC-UHFFFAOYSA-N -1 0 341.407 3.692 20 0 EHADRM Cc1nn(C)c(Cl)c1[C@@H]1CCCN1[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000738915616 599975143 /nfs/dbraw/zinc/97/51/43/599975143.db2.gz QNNKTHKTOFAKQC-QWRGUYRKSA-N -1 0 337.807 3.571 20 0 EHADRM CC(C)(C)c1ccc(CCCCC(=O)N2CCN(C(=O)[O-])CC2)cc1 ZINC000736298865 599985628 /nfs/dbraw/zinc/98/56/28/599985628.db2.gz WBKXMTVFERNGGK-UHFFFAOYSA-N -1 0 346.471 3.519 20 0 EHADRM Cc1ccc(NC(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])c(C)c1 ZINC000738625762 599993857 /nfs/dbraw/zinc/99/38/57/599993857.db2.gz YAYWJUJYDNKYCY-OAHLLOKOSA-N -1 0 344.386 3.508 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)OCC(=O)c2ccc(Cl)s2)c1 ZINC000740036838 599996847 /nfs/dbraw/zinc/99/68/47/599996847.db2.gz OOLDNDPZVGTASR-UHFFFAOYSA-N -1 0 339.756 3.531 20 0 EHADRM Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)ccc1C(=O)[O-] ZINC000237821601 599997202 /nfs/dbraw/zinc/99/72/02/599997202.db2.gz CQNOMKQUHROXQM-KGLIPLIRSA-N -1 0 331.318 3.714 20 0 EHADRM CC(C)(C)c1nc(COC(=O)c2cccc(NC(=O)[O-])c2)cs1 ZINC000736302651 599997556 /nfs/dbraw/zinc/99/75/56/599997556.db2.gz AIEPYXILZVCVEO-UHFFFAOYSA-N -1 0 334.397 3.888 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cccc(Cl)c2Cl)c1 ZINC000316747784 599998126 /nfs/dbraw/zinc/99/81/26/599998126.db2.gz SZBPBLOZRYVWCE-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)CCc2ccc(Cl)cc2)c1 ZINC000737935460 600000470 /nfs/dbraw/zinc/00/04/70/600000470.db2.gz QRJWMRXDSKRQMN-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM Cc1cc(C)c(C(=O)COC(=O)c2cccc(NC(=O)[O-])c2)cc1C ZINC000738351346 600001755 /nfs/dbraw/zinc/00/17/55/600001755.db2.gz JLWUKXMHHQAZQO-UHFFFAOYSA-N -1 0 341.363 3.741 20 0 EHADRM Cc1cc(NC(=O)N2CCc3[nH]c4ccccc4c3C2)ccc1C(=O)[O-] ZINC000738436543 600016413 /nfs/dbraw/zinc/01/64/13/600016413.db2.gz AYQGFQYCUIHEOF-UHFFFAOYSA-N -1 0 349.390 3.765 20 0 EHADRM Cc1cc(NC(=O)N[C@@H](C)CCc2ccc(O)cc2)ccc1C(=O)[O-] ZINC000738440251 600017113 /nfs/dbraw/zinc/01/71/13/600017113.db2.gz GMMPVDVSUFTBAA-ZDUSSCGKSA-N -1 0 342.395 3.542 20 0 EHADRM Cc1cc(NC(=O)N[C@@H](C)c2ccc(F)c(F)c2)ccc1C(=O)[O-] ZINC000738440272 600017721 /nfs/dbraw/zinc/01/77/21/600017721.db2.gz HEIWVNDJWOOFPQ-JTQLQIEISA-N -1 0 334.322 3.854 20 0 EHADRM C[C@H]1CCC[C@@H](NC(=O)Nc2cccc(CSCC(=O)[O-])c2)C1 ZINC000736774837 600018152 /nfs/dbraw/zinc/01/81/52/600018152.db2.gz JCZDFGRQOBXGPI-GXTWGEPZSA-N -1 0 336.457 3.705 20 0 EHADRM Cc1cc(NC(=O)NCc2nc3ccccc3s2)ccc1C(=O)[O-] ZINC000738444266 600018312 /nfs/dbraw/zinc/01/83/12/600018312.db2.gz LBVYNGXVNKVJKY-UHFFFAOYSA-N -1 0 341.392 3.625 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)OCc2nc3ccccc3s2)cc1 ZINC000739261703 600033759 /nfs/dbraw/zinc/03/37/59/600033759.db2.gz YKTSMYLQOTZKSL-UHFFFAOYSA-N -1 0 341.388 3.671 20 0 EHADRM CC(C)COc1ccc(CC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000236671491 600034248 /nfs/dbraw/zinc/03/42/48/600034248.db2.gz SIRVPZJRPWIYMK-UHFFFAOYSA-N -1 0 327.380 3.601 20 0 EHADRM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237593519 600037490 /nfs/dbraw/zinc/03/74/90/600037490.db2.gz OGSHZTIWIMAGNP-LBPRGKRZSA-N -1 0 347.361 3.815 20 0 EHADRM CC(C)(NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1F)C(=O)[O-] ZINC000736338853 600037765 /nfs/dbraw/zinc/03/77/65/600037765.db2.gz HRZHDCJLUNNBNS-UHFFFAOYSA-N -1 0 335.762 3.739 20 0 EHADRM CCN(C(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000737052440 600037857 /nfs/dbraw/zinc/03/78/57/600037857.db2.gz ARMIOFCPVURTRY-UHFFFAOYSA-N -1 0 333.334 3.649 20 0 EHADRM CC(C)[C@@H](CNC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000236680656 600038113 /nfs/dbraw/zinc/03/81/13/600038113.db2.gz SAXMHUWATAVPJC-LJQANCHMSA-N -1 0 339.435 3.873 20 0 EHADRM COc1cccc([C@H]2C[C@H]2C(=O)Oc2ccc(Cl)cc2C(=O)[O-])c1 ZINC000738095381 600038955 /nfs/dbraw/zinc/03/89/55/600038955.db2.gz GFFACJZVQXMTDL-ZIAGYGMSSA-N -1 0 346.766 3.756 20 0 EHADRM CCCCc1ccc(CC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000326868308 600043678 /nfs/dbraw/zinc/04/36/78/600043678.db2.gz WUYDNUFDJFSJMI-UHFFFAOYSA-N -1 0 337.419 3.812 20 0 EHADRM C[C@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)C(C)(C)c1ccccc1 ZINC000237615068 600044139 /nfs/dbraw/zinc/04/41/39/600044139.db2.gz XJSVRYGBQJMWHP-HNNXBMFYSA-N -1 0 339.435 3.800 20 0 EHADRM CSCc1cccc(NC(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000531747310 600046538 /nfs/dbraw/zinc/04/65/38/600046538.db2.gz QZUQPNQYSPTSET-UHFFFAOYSA-N -1 0 329.421 3.819 20 0 EHADRM CC(C)(C)c1ccc(/C=C/C(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000736297407 600048265 /nfs/dbraw/zinc/04/82/65/600048265.db2.gz FQFRCIYIJIOZOP-AWNIVKPZSA-N -1 0 329.440 3.757 20 0 EHADRM Cc1cc(C(=O)[O-])c2sc(NC(=O)CCC3CCCC3)nc2n1 ZINC000738342030 600051763 /nfs/dbraw/zinc/05/17/63/600051763.db2.gz JCSDNZRXNJVDBX-UHFFFAOYSA-N -1 0 333.413 3.607 20 0 EHADRM O=C([O-])CCCNC(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1 ZINC000428097272 600058100 /nfs/dbraw/zinc/05/81/00/600058100.db2.gz COFCUGXYDLFMKY-KRWDZBQOSA-N -1 0 347.411 3.640 20 0 EHADRM C[C@@H](CNC(=O)c1ccc(-c2ccc(Cl)cc2)cc1F)C(=O)[O-] ZINC000736600390 600060195 /nfs/dbraw/zinc/06/01/95/600060195.db2.gz HCMRAKSHDAAXNS-JTQLQIEISA-N -1 0 335.762 3.597 20 0 EHADRM CCC(C)(C)NC(=O)COc1cc(-c2ccccc2)sc1C(=O)[O-] ZINC000736859545 600075934 /nfs/dbraw/zinc/07/59/34/600075934.db2.gz UGPNJRBYBGAEJC-UHFFFAOYSA-N -1 0 347.436 3.797 20 0 EHADRM O=C([O-])c1sc(-c2ccccc2)cc1OCC(=O)NC1CCCC1 ZINC000739324770 600076731 /nfs/dbraw/zinc/07/67/31/600076731.db2.gz UFTYLHIQBZQQQE-UHFFFAOYSA-N -1 0 345.420 3.551 20 0 EHADRM C/C(=C\C(=O)N[C@H](C(=O)[O-])c1ccccc1)c1ccccc1Cl ZINC000736120760 600079467 /nfs/dbraw/zinc/07/94/67/600079467.db2.gz KLGQSCYMXNORKT-FLVLSHQESA-N -1 0 329.783 3.685 20 0 EHADRM C/C(=C/C(=O)N[C@@H](C(=O)[O-])c1cccs1)c1ccccc1Cl ZINC000736120926 600080759 /nfs/dbraw/zinc/08/07/59/600080759.db2.gz LZSIROXBJPFUTL-FJVVXJACSA-N -1 0 335.812 3.747 20 0 EHADRM Cc1csc(Sc2ccc(NC(=O)[C@H]3C[C@H]3C(=O)[O-])c(C)c2)n1 ZINC000738819381 600081103 /nfs/dbraw/zinc/08/11/03/600081103.db2.gz ABDWQEKPTNRXCB-NWDGAFQWSA-N -1 0 348.449 3.570 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000326181712 600083292 /nfs/dbraw/zinc/08/32/92/600083292.db2.gz QRFWGQGOFQTLTO-UHFFFAOYSA-N -1 0 337.297 3.799 20 0 EHADRM COc1ccc(CCCC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000737991609 600086425 /nfs/dbraw/zinc/08/64/25/600086425.db2.gz BLHDHRJSXCAQBE-UHFFFAOYSA-N -1 0 346.358 3.886 20 0 EHADRM CC(C)Cc1nc(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cs1 ZINC000736453656 600086806 /nfs/dbraw/zinc/08/68/06/600086806.db2.gz MKLHOBUWEMCKCJ-UHFFFAOYSA-N -1 0 337.376 3.823 20 0 EHADRM COc1cc(COC(=O)c2cccc(NC(=O)[O-])c2)ccc1SC ZINC000737885754 600088521 /nfs/dbraw/zinc/08/85/21/600088521.db2.gz HNEMXARZZIKRQE-UHFFFAOYSA-N -1 0 347.392 3.864 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2ccc(Br)o2)ccc1F ZINC000740009127 600090203 /nfs/dbraw/zinc/09/02/03/600090203.db2.gz ZEHSPSPGXFEJLS-UHFFFAOYSA-N -1 0 343.108 3.523 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2c(F)cccc2Cl)ccc1F ZINC000740006280 600090480 /nfs/dbraw/zinc/09/04/80/600090480.db2.gz AGJYWYIUWLRZEO-UHFFFAOYSA-N -1 0 326.686 3.960 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2ccccc2OC(F)F)ccc1F ZINC000740012371 600091184 /nfs/dbraw/zinc/09/11/84/600091184.db2.gz MGXGZBAYGUUWAP-UHFFFAOYSA-N -1 0 340.257 3.769 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CN1CCO[C@@H](c2ccccc2Cl)C1 ZINC000579119397 600102178 /nfs/dbraw/zinc/10/21/78/600102178.db2.gz OIYFYGJOVAVEMG-MRXNPFEDSA-N -1 0 335.787 3.513 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2ccccc2C(=O)c2ccccc2)c1 ZINC000109556242 600106076 /nfs/dbraw/zinc/10/60/76/600106076.db2.gz WKJZFKSNVPCPHU-UHFFFAOYSA-N -1 0 345.354 3.868 20 0 EHADRM COc1ccc(Cl)cc1NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000326162323 600111324 /nfs/dbraw/zinc/11/13/24/600111324.db2.gz LRFDNKPOWGAWEK-UHFFFAOYSA-N -1 0 346.770 3.595 20 0 EHADRM CCOc1ccc(CCc2nc(-c3ccc(C(=O)[O-])cc3)no2)cc1 ZINC000737205752 600113512 /nfs/dbraw/zinc/11/35/12/600113512.db2.gz QDUFXBZJELPNCU-UHFFFAOYSA-N -1 0 338.363 3.619 20 0 EHADRM O=C([O-])c1ccc(-c2noc(-c3cccc(OC(F)F)c3)n2)cc1 ZINC000324584512 600114279 /nfs/dbraw/zinc/11/42/79/600114279.db2.gz HCPNJFWNGCSPGD-UHFFFAOYSA-N -1 0 332.262 3.703 20 0 EHADRM Cn1c(Cl)c(Cl)cc1-c1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000738997896 600115630 /nfs/dbraw/zinc/11/56/30/600115630.db2.gz KAYWLOUKYIHMAD-UHFFFAOYSA-N -1 0 338.150 3.747 20 0 EHADRM CC(C)N(Cc1ccccc1F)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000736471640 600120286 /nfs/dbraw/zinc/12/02/86/600120286.db2.gz JHKBEUBGNSQVDX-UHFFFAOYSA-N -1 0 330.359 3.966 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)s1 ZINC000740114470 600121034 /nfs/dbraw/zinc/12/10/34/600121034.db2.gz IZMLXZXPTYKBOS-UHFFFAOYSA-N -1 0 347.783 3.538 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)c1cc2cccc(C)c2o1 ZINC000736189464 600122972 /nfs/dbraw/zinc/12/29/72/600122972.db2.gz MGDMZJUNFHWYNA-UHFFFAOYSA-N -1 0 338.315 3.861 20 0 EHADRM Cn1cc(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c2ccccc21 ZINC000739023192 600123193 /nfs/dbraw/zinc/12/31/93/600123193.db2.gz QORLSCWSLOCLHY-UHFFFAOYSA-N -1 0 327.315 3.660 20 0 EHADRM Cc1cc(NC(=O)Cc2c(Cl)cccc2Cl)c(C(=O)[O-])[nH]1 ZINC000163389456 600124018 /nfs/dbraw/zinc/12/40/18/600124018.db2.gz YVLCMBLOCIGDAB-UHFFFAOYSA-N -1 0 327.167 3.509 20 0 EHADRM CC[C@@H]1CCCN1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000736939959 600124169 /nfs/dbraw/zinc/12/41/69/600124169.db2.gz PCIMDTJVFJSTAA-OAHLLOKOSA-N -1 0 336.457 3.801 20 0 EHADRM CC(C)[C@@H]1CCC[C@@H](NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000736396013 600125836 /nfs/dbraw/zinc/12/58/36/600125836.db2.gz UDRGSVABFPFTNL-IAGOWNOFSA-N -1 0 332.444 3.741 20 0 EHADRM Cc1ccc(-c2noc(CNc3ccc(F)c(NC(=O)[O-])c3)n2)cc1 ZINC000738495298 600127108 /nfs/dbraw/zinc/12/71/08/600127108.db2.gz RXJFLMQWDBGDTJ-UHFFFAOYSA-N -1 0 342.330 3.886 20 0 EHADRM Cc1ccc(OC(=O)c2ccc(C(F)(F)F)nc2C)c(C(=O)[O-])c1 ZINC000738638588 600131336 /nfs/dbraw/zinc/13/13/36/600131336.db2.gz ONWRUEONXJMTQZ-UHFFFAOYSA-N -1 0 339.269 3.635 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)OCC(=O)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC000736869630 600134227 /nfs/dbraw/zinc/13/42/27/600134227.db2.gz GEJJYAIYJKCQJI-YVEFUNNKSA-N -1 0 344.363 3.534 20 0 EHADRM COc1cc(C(=O)Oc2ccc(C)cc2C(=O)[O-])ccc1OC(C)C ZINC000737863638 600134526 /nfs/dbraw/zinc/13/45/26/600134526.db2.gz PHJRIJMKVFLBNQ-UHFFFAOYSA-N -1 0 344.363 3.708 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3CCC[C@@H]3C(=O)[O-])c(F)c2)cc1C ZINC000237712627 600140929 /nfs/dbraw/zinc/14/09/29/600140929.db2.gz MLJCAMBGOKQPDG-GOSISDBHSA-N -1 0 341.382 3.799 20 0 EHADRM O=C([O-])c1cccc(CN2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c1 ZINC000263441211 600141401 /nfs/dbraw/zinc/14/14/01/600141401.db2.gz DOSGFHWELUSIDA-QGZVFWFLSA-N -1 0 349.789 3.751 20 0 EHADRM Cc1cc(C)c(C)c(OCCC(=O)Oc2ccc(C(=O)[O-])cc2)c1 ZINC000738355418 600143019 /nfs/dbraw/zinc/14/30/19/600143019.db2.gz IGNUYGXQBHHXFO-UHFFFAOYSA-N -1 0 328.364 3.685 20 0 EHADRM Cn1c2ccccc2nc1[C@H]1CCCCN1Cc1ccc(C(=O)[O-])cc1 ZINC000739012575 600143061 /nfs/dbraw/zinc/14/30/61/600143061.db2.gz IJKMIWNUNLHWNJ-LJQANCHMSA-N -1 0 349.434 3.999 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000237252172 600143642 /nfs/dbraw/zinc/14/36/42/600143642.db2.gz ASAMKUUKLIRGJK-LBPRGKRZSA-N -1 0 345.370 3.740 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)N(C)c1ccccc1C(=O)[O-] ZINC000738125982 600143923 /nfs/dbraw/zinc/14/39/23/600143923.db2.gz PFLKAJMRBAMYSH-CQSZACIVSA-N -1 0 341.407 3.625 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)N(C)c1ccccc1C(=O)[O-] ZINC000738125981 600143944 /nfs/dbraw/zinc/14/39/44/600143944.db2.gz PFLKAJMRBAMYSH-AWEZNQCLSA-N -1 0 341.407 3.625 20 0 EHADRM C[C@H]1C[C@@H](CC(=O)OCC(=O)c2cc(C(=O)[O-])co2)CC(C)(C)C1 ZINC000736755679 600144427 /nfs/dbraw/zinc/14/44/27/600144427.db2.gz OQSYJVJPTRVBAV-RYUDHWBXSA-N -1 0 336.384 3.556 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)c(C(=O)[O-])c1 ZINC000738617630 600145254 /nfs/dbraw/zinc/14/52/54/600145254.db2.gz YMPYNPNLPNFNIT-JKSUJKDBSA-N -1 0 338.407 3.501 20 0 EHADRM CC[C@@](C)(NC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000362338065 600145612 /nfs/dbraw/zinc/14/56/12/600145612.db2.gz AJGISTPUYGQPBO-BJOHPYRUSA-N -1 0 332.227 3.542 20 0 EHADRM CSc1ccsc1C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000738209850 600147013 /nfs/dbraw/zinc/14/70/13/600147013.db2.gz NJMACUMXRWVKDR-UHFFFAOYSA-N -1 0 326.374 3.951 20 0 EHADRM CSc1ccsc1C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000738210355 600148283 /nfs/dbraw/zinc/14/82/83/600148283.db2.gz RXQASTSXAUVXNQ-GFCCVEGCSA-N -1 0 335.450 3.806 20 0 EHADRM O=C([O-])c1ccoc1CN[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000740251583 600148801 /nfs/dbraw/zinc/14/88/01/600148801.db2.gz HYPRGJLULMUXFB-GOSISDBHSA-N -1 0 325.339 3.996 20 0 EHADRM CC(C)(NC(=O)[O-])C(=O)OCc1sc2ccccc2c1Cl ZINC000736338844 600152122 /nfs/dbraw/zinc/15/21/22/600152122.db2.gz HKSOZVHLPOSVKK-UHFFFAOYSA-N -1 0 327.789 3.644 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)CCc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000486367692 600156640 /nfs/dbraw/zinc/15/66/40/600156640.db2.gz GQMZYBLBMMYYMQ-QGZVFWFLSA-N -1 0 345.826 3.566 20 0 EHADRM Cc1ccc([C@H](CNC(=O)c2cc3cccc(C)c3o2)C(=O)[O-])cc1 ZINC000486373875 600159113 /nfs/dbraw/zinc/15/91/13/600159113.db2.gz FBEKXKZXUAECNW-INIZCTEOSA-N -1 0 337.375 3.648 20 0 EHADRM C/C(=C/C(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1)c1ccc(F)cc1 ZINC000736120077 600160358 /nfs/dbraw/zinc/16/03/58/600160358.db2.gz DZDMSWJWUCQJGB-RMHQSFGDSA-N -1 0 341.382 3.522 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccccc2Br)c(F)c1 ZINC000063008767 600167105 /nfs/dbraw/zinc/16/71/05/600167105.db2.gz IKOXYBLZMVLVHX-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cnc(-c3ccccc3)s2)c(F)c1 ZINC000479593204 600167168 /nfs/dbraw/zinc/16/71/68/600167168.db2.gz LBCWBPFUHJFJNT-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM Cc1ccc([C@@H](CNc2ncnc3cc(Cl)ccc32)C(=O)[O-])cc1 ZINC000738566715 600167299 /nfs/dbraw/zinc/16/72/99/600167299.db2.gz AVJGNNLOXVJNSC-OAHLLOKOSA-N -1 0 341.798 3.872 20 0 EHADRM CCCCN(C)c1ccc(C(=O)Nc2cc(C)[nH]c2C(=O)[O-])cc1 ZINC000736992939 600169029 /nfs/dbraw/zinc/16/90/29/600169029.db2.gz QLMPGBOOMMZABE-UHFFFAOYSA-N -1 0 329.400 3.510 20 0 EHADRM CC(C)c1ccc(-c2ncc(COC(=O)[C@H]3C[C@H]3C(=O)[O-])s2)cc1 ZINC000736515198 600176031 /nfs/dbraw/zinc/17/60/31/600176031.db2.gz HUSSHXVNKMDRLV-CABCVRRESA-N -1 0 345.420 3.697 20 0 EHADRM CN(Cc1ccc(F)cc1Cl)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000737476606 600177079 /nfs/dbraw/zinc/17/70/79/600177079.db2.gz LDZVCHDNRRSSOG-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM Cc1cc(C)cc([C@H](C)NC(=O)Nc2ccc(OCC(=O)[O-])cc2)c1 ZINC000738363154 600177472 /nfs/dbraw/zinc/17/74/72/600177472.db2.gz DTUSCQOOTSTQIX-AWEZNQCLSA-N -1 0 342.395 3.650 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000736762491 600184425 /nfs/dbraw/zinc/18/44/25/600184425.db2.gz KXCCVIHLINNHIU-JKIFEVAISA-N -1 0 340.423 3.519 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)NCCCCCCC(=O)[O-] ZINC000736761675 600185738 /nfs/dbraw/zinc/18/57/38/600185738.db2.gz PAAGZXWNHBHANP-RDJZCZTQSA-N -1 0 332.444 3.609 20 0 EHADRM O=C([O-])CCCSc1nccn1-c1ccc(C(F)(F)F)cc1 ZINC000738586161 600188601 /nfs/dbraw/zinc/18/86/01/600188601.db2.gz IIORSOSPSIGFBM-UHFFFAOYSA-N -1 0 330.331 3.848 20 0 EHADRM O=C([O-])c1ccc2ccccc2c1OC(=O)CC[C@@H]1CCCCO1 ZINC000739233289 600193202 /nfs/dbraw/zinc/19/32/02/600193202.db2.gz BFMACCGCORASBF-AWEZNQCLSA-N -1 0 328.364 3.793 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000358610245 600194173 /nfs/dbraw/zinc/19/41/73/600194173.db2.gz PXMMZGZKYBMGSF-SRABZTEZSA-N -1 0 347.480 3.659 20 0 EHADRM CC(C)c1ccccc1OCC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000325088818 600199795 /nfs/dbraw/zinc/19/97/95/600199795.db2.gz JVUZBXNNNQULGH-UHFFFAOYSA-N -1 0 331.343 3.665 20 0 EHADRM CCC[C@H](C)CC(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000237000392 600204562 /nfs/dbraw/zinc/20/45/62/600204562.db2.gz ZTSWXKIMKCGLCA-LBPRGKRZSA-N -1 0 327.371 3.594 20 0 EHADRM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000485728100 600207329 /nfs/dbraw/zinc/20/73/29/600207329.db2.gz ABCJSHOCUYDPBX-HOTGVXAUSA-N -1 0 345.782 3.578 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)cc1 ZINC000238047436 600207901 /nfs/dbraw/zinc/20/79/01/600207901.db2.gz RUUMEJAMLWWLCC-KBPBESRZSA-N -1 0 345.345 3.724 20 0 EHADRM Cc1ccc(NC(=O)CNc2cc(Cl)cc(C(=O)[O-])c2)cc1F ZINC000738622679 600208004 /nfs/dbraw/zinc/20/80/04/600208004.db2.gz ZZAVBUZDBQNCRH-UHFFFAOYSA-N -1 0 336.750 3.536 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2CCc3ccccc32)c(OC(F)F)c1 ZINC000740146517 600210719 /nfs/dbraw/zinc/21/07/19/600210719.db2.gz SAKWYRDZZVIYCA-CYBMUJFWSA-N -1 0 347.317 3.655 20 0 EHADRM Cc1oc(CN(C)C(=O)C[C@H](C)c2ccccc2C)cc1C(=O)[O-] ZINC000262465088 600211391 /nfs/dbraw/zinc/21/13/91/600211391.db2.gz IWORRTICGWKCFY-ZDUSSCGKSA-N -1 0 329.396 3.747 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc3c2CCC3)c(OC(F)F)c1 ZINC000740157179 600213920 /nfs/dbraw/zinc/21/39/20/600213920.db2.gz SBKZCGZWKXUIJH-UHFFFAOYSA-N -1 0 347.317 3.727 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)/C=C/c2ccc(Cl)cc2)c2ccccc21 ZINC000390843815 600219486 /nfs/dbraw/zinc/21/94/86/600219486.db2.gz CIXAQSTVXWUXPC-VSGCLNPGSA-N -1 0 327.767 3.568 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2cc(Cl)sc2Cl)c2ccccc21 ZINC000194954833 600223460 /nfs/dbraw/zinc/22/34/60/600223460.db2.gz CWUXCVVKPCJIMH-VIFPVBQESA-N -1 0 342.203 3.884 20 0 EHADRM CCC1=C(C(=O)[O-])[C@@H](c2ccsc2)NC(=O)N1Cc1cccs1 ZINC000736932452 600228354 /nfs/dbraw/zinc/22/83/54/600228354.db2.gz QQLQYBAIVMGGDJ-CQSZACIVSA-N -1 0 348.449 3.825 20 0 EHADRM CC(C)(C)c1nnc(NC(=O)Nc2cccc(NC(=O)[O-])c2)s1 ZINC000736306912 600230439 /nfs/dbraw/zinc/23/04/39/600230439.db2.gz MWOZDDGBIIRBMP-UHFFFAOYSA-N -1 0 335.389 3.570 20 0 EHADRM COc1c(F)cc(NC(=O)Nc2cccc(NC(=O)[O-])c2)cc1F ZINC000737838986 600231005 /nfs/dbraw/zinc/23/10/05/600231005.db2.gz APXZKVCLSSKJJA-UHFFFAOYSA-N -1 0 337.282 3.707 20 0 EHADRM CC(=O)Nc1cccc(NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000736167562 600231734 /nfs/dbraw/zinc/23/17/34/600231734.db2.gz LAKKXGUHUICRTD-UHFFFAOYSA-N -1 0 346.318 3.518 20 0 EHADRM Cc1ccccc1NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000738778692 600235167 /nfs/dbraw/zinc/23/51/67/600235167.db2.gz SOWCYAZDBOQWTK-UHFFFAOYSA-N -1 0 336.294 3.939 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN(C(=O)NCCCCCCC(=O)[O-])C1 ZINC000736742281 600236172 /nfs/dbraw/zinc/23/61/72/600236172.db2.gz QIRFJUYOFZMXIJ-HXUWFJFHSA-N -1 0 346.471 3.785 20 0 EHADRM C[C@H](OC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(C(=O)[O-])o1 ZINC000736685822 600238415 /nfs/dbraw/zinc/23/84/15/600238415.db2.gz RFICHMWHIOXMST-LPEHRKFASA-N -1 0 336.290 3.664 20 0 EHADRM Cc1csc(C(C)(C)NC(=O)Nc2cccc(NC(=O)[O-])c2)n1 ZINC000738815942 600241526 /nfs/dbraw/zinc/24/15/26/600241526.db2.gz FIOTZHDCVDBIMA-UHFFFAOYSA-N -1 0 334.401 3.598 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(C(=O)[O-])cc2F)o1 ZINC000738582427 600242402 /nfs/dbraw/zinc/24/24/02/600242402.db2.gz JATIXQXFGUJSOD-AWEZNQCLSA-N -1 0 332.331 3.794 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)C[C@H](C)c1ccccc1C ZINC000736186947 600245117 /nfs/dbraw/zinc/24/51/17/600245117.db2.gz QHBUCVLTFLUTNN-ZDUSSCGKSA-N -1 0 340.375 3.995 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C(C)(C)c1cccc(Cl)c1 ZINC000237268451 600246545 /nfs/dbraw/zinc/24/65/45/600246545.db2.gz YUCOSKPSZSBQMD-UHFFFAOYSA-N -1 0 345.826 3.974 20 0 EHADRM COc1ccc(CCCCCC(=O)Nc2cc(C)[nH]c2C(=O)[O-])cc1 ZINC000737993797 600252694 /nfs/dbraw/zinc/25/26/94/600252694.db2.gz WXQKYZDEQZEIBZ-UHFFFAOYSA-N -1 0 344.411 3.772 20 0 EHADRM CCCCCOc1ccc(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000262433518 600274379 /nfs/dbraw/zinc/27/43/79/600274379.db2.gz MUVMSRHDVYYYKL-KRWDZBQOSA-N -1 0 345.439 3.583 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)N[C@@H](Cc2ccccc2)C2CC2)c1 ZINC000739464451 600275756 /nfs/dbraw/zinc/27/57/56/600275756.db2.gz SHYCDBDDPLPXES-INIZCTEOSA-N -1 0 342.370 3.667 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC(Cc3ccccc3F)CC2)cc1 ZINC000262241503 600276366 /nfs/dbraw/zinc/27/63/66/600276366.db2.gz AAHCKJMAXZPOQV-UHFFFAOYSA-N -1 0 341.382 3.619 20 0 EHADRM CCCC[C@H](CC)CC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000736982406 600281350 /nfs/dbraw/zinc/28/13/50/600281350.db2.gz NTXZPWVNARONQJ-ZBEGNZNMSA-N -1 0 327.371 3.813 20 0 EHADRM COc1cccc([C@H](C)NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000738091582 600283970 /nfs/dbraw/zinc/28/39/70/600283970.db2.gz KCRQPVDBJMOWKJ-JTQLQIEISA-N -1 0 348.786 3.930 20 0 EHADRM Cc1ccc(CCC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)c(C)c1 ZINC000738589802 600286343 /nfs/dbraw/zinc/28/63/43/600286343.db2.gz WZRFNMWWNHPXQE-UHFFFAOYSA-N -1 0 340.423 3.985 20 0 EHADRM C[C@H](c1cccnc1)N(C)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000736726776 600286411 /nfs/dbraw/zinc/28/64/11/600286411.db2.gz XILHFUPZBZOYDM-SNVBAGLBSA-N -1 0 333.775 3.658 20 0 EHADRM COCc1cccc(NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000390997627 600287608 /nfs/dbraw/zinc/28/76/08/600287608.db2.gz MKLKIIDJHNWKBK-UHFFFAOYSA-N -1 0 334.759 3.829 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000739984366 600291102 /nfs/dbraw/zinc/29/11/02/600291102.db2.gz DTUKDHOIZBLNIP-UHFFFAOYSA-N -1 0 328.412 3.609 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1-n1cccc1 ZINC000738513873 600295982 /nfs/dbraw/zinc/29/59/82/600295982.db2.gz UJIIKYFCOXKHMU-UHFFFAOYSA-N -1 0 349.390 3.806 20 0 EHADRM CCSc1ccccc1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737229555 600297000 /nfs/dbraw/zinc/29/70/00/600297000.db2.gz OGPQZRFLJJLMRQ-UHFFFAOYSA-N -1 0 330.409 3.819 20 0 EHADRM CN(CCCC(=O)Nc1nc(/C=C/c2ccccc2)cs1)C(=O)[O-] ZINC000737433520 600298700 /nfs/dbraw/zinc/29/87/00/600298700.db2.gz QRGZRMRJEMCROU-MDZDMXLPSA-N -1 0 345.424 3.642 20 0 EHADRM CC(C)n1ncc2cc(NC(=O)c3ccccc3NC(=O)[O-])ccc21 ZINC000736540425 600311700 /nfs/dbraw/zinc/31/17/00/600311700.db2.gz WVMWODFEQGKBFM-UHFFFAOYSA-N -1 0 338.367 3.959 20 0 EHADRM Cn1c2ccccc2nc1[C@@H]1CCCCN1Cc1ccoc1C(=O)[O-] ZINC000739012368 600314966 /nfs/dbraw/zinc/31/49/66/600314966.db2.gz AHHVBVMBVNECMH-INIZCTEOSA-N -1 0 339.395 3.592 20 0 EHADRM CN(Cc1ccc(NCC(=O)Nc2cccc(Cl)c2)cc1)C(=O)[O-] ZINC000737485905 600315175 /nfs/dbraw/zinc/31/51/75/600315175.db2.gz KZUYBPMEJWOAMS-UHFFFAOYSA-N -1 0 347.802 3.500 20 0 EHADRM Cc1ccc(OCC(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1C ZINC000738639475 600320540 /nfs/dbraw/zinc/32/05/40/600320540.db2.gz RDJXITFNGNHJET-KRWDZBQOSA-N -1 0 348.782 3.705 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@H]1Cc2ccccc2S1)c1cccc(Cl)c1 ZINC000740290346 600323105 /nfs/dbraw/zinc/32/31/05/600323105.db2.gz IOIUVHFDGIHKII-HUUCEWRRSA-N -1 0 348.807 3.726 20 0 EHADRM O=C([O-])[C@@H](OC(=O)/C=C\c1ccccc1F)c1cccc(Cl)c1 ZINC000739216499 600323547 /nfs/dbraw/zinc/32/35/47/600323547.db2.gz SLOCJAUBQSUPKI-QWGSZXSUSA-N -1 0 334.730 3.861 20 0 EHADRM C[C@H](Nc1ccc(CNC(=O)[O-])cc1)c1nc(-c2cccs2)no1 ZINC000736669845 600327788 /nfs/dbraw/zinc/32/77/88/600327788.db2.gz AKCUVOJTMYSZLO-JTQLQIEISA-N -1 0 344.396 3.739 20 0 EHADRM O=C([O-])[C@H](OC(=O)Cn1ccc2ccccc21)c1cccc(Cl)c1 ZINC000739357115 600328341 /nfs/dbraw/zinc/32/83/41/600328341.db2.gz WBRBCFOMUXLLNN-QGZVFWFLSA-N -1 0 343.766 3.664 20 0 EHADRM Cc1ccc2oc(C(=O)O[C@@H](C(=O)[O-])c3cccc(Cl)c3)cc2n1 ZINC000738681693 600329903 /nfs/dbraw/zinc/32/99/03/600329903.db2.gz YZZZCOJWSHMUMF-OAHLLOKOSA-N -1 0 345.738 3.772 20 0 EHADRM Cc1ccc(C)c(CC(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000738573681 600330000 /nfs/dbraw/zinc/33/00/00/600330000.db2.gz SQNMKNVKUYHVNI-KRWDZBQOSA-N -1 0 332.783 3.868 20 0 EHADRM C[C@@H]1CCC[C@@H](OCC(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC000736782681 600330378 /nfs/dbraw/zinc/33/03/78/600330378.db2.gz VYMQKRSUGKNYDL-XFJVYGCCSA-N -1 0 340.803 3.604 20 0 EHADRM Cc1oc(CN2[C@H](C)CO[C@@H](c3ccccc3)[C@H]2C)cc1C(=O)[O-] ZINC000738981837 600332043 /nfs/dbraw/zinc/33/20/43/600332043.db2.gz ZSOJAWZVODFEOL-SNUQEOBHSA-N -1 0 329.396 3.637 20 0 EHADRM CC[C@H]1CN(Cc2c(C(=O)[O-])sc3cccc(F)c32)C[C@H](C)O1 ZINC000736945281 600332428 /nfs/dbraw/zinc/33/24/28/600332428.db2.gz VYIIAFMVIIZXNW-QWRGUYRKSA-N -1 0 337.416 3.738 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736492543 600336627 /nfs/dbraw/zinc/33/66/27/600336627.db2.gz FIMJRFZOMHBWTA-UHFFFAOYSA-N -1 0 343.383 3.885 20 0 EHADRM CC(C)C[C@H](NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccccc1 ZINC000736414009 600340853 /nfs/dbraw/zinc/34/08/53/600340853.db2.gz FSWIAJXPPBVHKB-IRXDYDNUSA-N -1 0 344.455 3.670 20 0 EHADRM O=C([O-])CCc1nc(CSCc2ccc(C(F)(F)F)cc2)no1 ZINC000739773184 600351364 /nfs/dbraw/zinc/35/13/64/600351364.db2.gz UTHREUHSJQDBGX-UHFFFAOYSA-N -1 0 346.330 3.539 20 0 EHADRM C[C@H](SCc1noc(CCCC(=O)[O-])n1)c1cc(F)ccc1F ZINC000736713978 600351786 /nfs/dbraw/zinc/35/17/86/600351786.db2.gz WOSTXNGXZPJSTJ-VIFPVBQESA-N -1 0 342.367 3.750 20 0 EHADRM CN(CCC1CCCCC1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737415108 600357882 /nfs/dbraw/zinc/35/78/82/600357882.db2.gz GJNRBPDADYFNHJ-UHFFFAOYSA-N -1 0 333.432 3.888 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)Nc2cc(C(=O)[O-])c[nH]c2=O)cc1 ZINC000736512620 600375194 /nfs/dbraw/zinc/37/51/94/600375194.db2.gz KHBCMIADQABLPX-LBPRGKRZSA-N -1 0 342.395 3.741 20 0 EHADRM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000736826127 600379982 /nfs/dbraw/zinc/37/99/82/600379982.db2.gz PRGUCBUHLHGWLP-ABKXIKBNSA-N -1 0 346.333 3.718 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)Cc1ccc2c(c1)CCC2)c1ccccc1 ZINC000736853434 600380383 /nfs/dbraw/zinc/38/03/83/600380383.db2.gz SNSRVBIXGIVZFL-LJQANCHMSA-N -1 0 337.419 3.614 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)CSc1ccccc1C)c1ccccc1 ZINC000736853104 600380495 /nfs/dbraw/zinc/38/04/95/600380495.db2.gz SEIAOGAOAUCLKV-MRXNPFEDSA-N -1 0 343.448 3.984 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)C[C@H]2CCOc3ccccc32)c1 ZINC000739223758 600380765 /nfs/dbraw/zinc/38/07/65/600380765.db2.gz SXNMQGCTLZPGEE-LLVKDONJSA-N -1 0 345.782 3.933 20 0 EHADRM Cc1ccc(NC(=O)/C=C\c2ccnc3ccccc23)c(C(=O)[O-])c1 ZINC000738617196 600382099 /nfs/dbraw/zinc/38/20/99/600382099.db2.gz ULGTVMAHTZVGON-CLFYSBASSA-N -1 0 332.359 3.893 20 0 EHADRM Cc1ccc(NC(=O)/C=C/c2ccnc3ccccc23)c(C(=O)[O-])c1 ZINC000738617200 600382156 /nfs/dbraw/zinc/38/21/56/600382156.db2.gz ULGTVMAHTZVGON-VQHVLOKHSA-N -1 0 332.359 3.893 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)C[C@H]2CCOc3ccccc32)c1 ZINC000740043769 600382786 /nfs/dbraw/zinc/38/27/86/600382786.db2.gz WYQNQOXUMHXJAP-GFCCVEGCSA-N -1 0 326.352 3.671 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccc(OC)cc1 ZINC000736913619 600385324 /nfs/dbraw/zinc/38/53/24/600385324.db2.gz FBAIXVCCSVRFLR-INIZCTEOSA-N -1 0 346.358 3.805 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)COc1cccc(Cl)c1)c1ccccc1 ZINC000736851317 600385567 /nfs/dbraw/zinc/38/55/67/600385567.db2.gz GIUAMBHOKKZAAL-INIZCTEOSA-N -1 0 347.798 3.615 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CCCc3ccccc3C2)ccc1F ZINC000324914897 600386196 /nfs/dbraw/zinc/38/61/96/600386196.db2.gz QPZHLMXUEVYYQP-UHFFFAOYSA-N -1 0 328.343 3.504 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1csc(CC(C)C)n1)c1ccccc1 ZINC000736851609 600387049 /nfs/dbraw/zinc/38/70/49/600387049.db2.gz RFEXMVWPFLDYOO-HNNXBMFYSA-N -1 0 346.452 3.852 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)Cc1cccc(Cl)c1)c1ccccc1 ZINC000736854604 600388932 /nfs/dbraw/zinc/38/89/32/600388932.db2.gz YBTBHCCRQOFGIJ-INIZCTEOSA-N -1 0 331.799 3.779 20 0 EHADRM CCc1ccc([C@H]2CCCN2C(=O)c2ccc(NC(=O)[O-])cc2)o1 ZINC000737258315 600390316 /nfs/dbraw/zinc/39/03/16/600390316.db2.gz BSQIXMWCXWPVOJ-OAHLLOKOSA-N -1 0 328.368 3.909 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Nc2nc3ccsc3s2)cc1 ZINC000739260774 600391146 /nfs/dbraw/zinc/39/11/46/600391146.db2.gz YTAKFUHWLIXWCY-UHFFFAOYSA-N -1 0 332.406 3.627 20 0 EHADRM CC(C)CO[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000532004723 600391806 /nfs/dbraw/zinc/39/18/06/600391806.db2.gz LTJJJDDNFHYSAW-WMLDXEAASA-N -1 0 349.471 3.677 20 0 EHADRM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCO[C@@H](c2ccccc2)C1 ZINC000565103994 600395881 /nfs/dbraw/zinc/39/58/81/600395881.db2.gz MZEXZTFEKBVUBW-SJORKVTESA-N -1 0 331.799 3.539 20 0 EHADRM Cc1cccc([C@H]2CCCCCN2C(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC000237796224 600396298 /nfs/dbraw/zinc/39/62/98/600396298.db2.gz WUVIWKYESQEJHW-GOSISDBHSA-N -1 0 338.407 3.846 20 0 EHADRM Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000738671368 600396319 /nfs/dbraw/zinc/39/63/19/600396319.db2.gz XFDHMSLDAHHXKM-HNNXBMFYSA-N -1 0 328.343 3.641 20 0 EHADRM O=C([O-])CC1CCN(C(=O)C2(c3cccs3)CCCCC2)CC1 ZINC000262436104 600398280 /nfs/dbraw/zinc/39/82/80/600398280.db2.gz NELIRLNPDQWJPW-UHFFFAOYSA-N -1 0 335.469 3.663 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCCc3sccc3C2)c(F)c1 ZINC000740148282 600400694 /nfs/dbraw/zinc/40/06/94/600400694.db2.gz UGTWZLPMDBGNAM-UHFFFAOYSA-N -1 0 334.372 3.566 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC000236943013 600405596 /nfs/dbraw/zinc/40/55/96/600405596.db2.gz XXKZWFLOTZAOKC-OAHLLOKOSA-N -1 0 333.428 3.616 20 0 EHADRM C[C@H](CC1CCCC1)C(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000736564173 600406439 /nfs/dbraw/zinc/40/64/39/600406439.db2.gz ZHKBANAODIQAFR-CYBMUJFWSA-N -1 0 337.847 3.970 20 0 EHADRM CC1(CNC(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)CCCC1 ZINC000736738868 600406913 /nfs/dbraw/zinc/40/69/13/600406913.db2.gz SOMGHIJEZWMJMR-UHFFFAOYSA-N -1 0 342.342 3.688 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)CCCCc1nc2ccccc2s1 ZINC000236821746 600418075 /nfs/dbraw/zinc/41/80/75/600418075.db2.gz GDPGJOPVAGOVNZ-UHFFFAOYSA-N -1 0 348.468 3.769 20 0 EHADRM O=C([O-])[C@H](Nc1cccc(N2CCCC2=O)c1)c1cccc(Cl)c1 ZINC000739511300 600420628 /nfs/dbraw/zinc/42/06/28/600420628.db2.gz GYRPQLUMWFYXFY-QGZVFWFLSA-N -1 0 344.798 3.705 20 0 EHADRM CCCc1c(C(=O)N2CCC[C@]3(CC=CCC3)C2)[nH]c(C)c1C(=O)[O-] ZINC000737039957 600424734 /nfs/dbraw/zinc/42/47/34/600424734.db2.gz DLGDKUNVNLHDBG-HXUWFJFHSA-N -1 0 344.455 3.936 20 0 EHADRM CC(=O)Nc1cc(N[C@@H](C(=O)[O-])c2ccc(F)cc2)ccc1Cl ZINC000736160351 600428607 /nfs/dbraw/zinc/42/86/07/600428607.db2.gz AXDUBYAUOKPNBR-OAHLLOKOSA-N -1 0 336.750 3.675 20 0 EHADRM CCCCN(CC)c1ccc(C(=O)Nc2cc(C(=O)[O-])ccn2)cc1 ZINC000736994370 600430709 /nfs/dbraw/zinc/43/07/09/600430709.db2.gz UAWIKZCSDJCFPK-UHFFFAOYSA-N -1 0 341.411 3.659 20 0 EHADRM CCS[C@H]1CCCCN(C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000737230934 600437937 /nfs/dbraw/zinc/43/79/37/600437937.db2.gz WIACJRQZENONOB-LBPRGKRZSA-N -1 0 340.420 3.663 20 0 EHADRM C[C@H](OC(=O)c1ncoc1-c1ccccc1)c1ccc(C(=O)[O-])cc1 ZINC000738228099 600439422 /nfs/dbraw/zinc/43/94/22/600439422.db2.gz MKEWUVKEEBKBIN-LBPRGKRZSA-N -1 0 337.331 3.958 20 0 EHADRM O=C([O-])c1cc(OCc2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000392242671 600441783 /nfs/dbraw/zinc/44/17/83/600441783.db2.gz OWGMWPQNAVWLJU-UHFFFAOYSA-N -1 0 341.241 3.891 20 0 EHADRM CC(C)CO[C@H](C)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000736444776 600450745 /nfs/dbraw/zinc/45/07/45/600450745.db2.gz VOJLLZFDNFOPFQ-SNVBAGLBSA-N -1 0 327.446 3.743 20 0 EHADRM CCc1noc(C)c1C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000737292399 600451939 /nfs/dbraw/zinc/45/19/39/600451939.db2.gz RSEDHOOOJKECJP-UHFFFAOYSA-N -1 0 336.413 3.855 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736626890 600453907 /nfs/dbraw/zinc/45/39/07/600453907.db2.gz OZBVVVNSAQIKJK-MEDUHNTESA-N -1 0 334.318 3.513 20 0 EHADRM CC[C@H](NC(=O)Nc1cccc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC000736913951 600454043 /nfs/dbraw/zinc/45/40/43/600454043.db2.gz JOQXDYMAPFFCAZ-HNNXBMFYSA-N -1 0 334.322 3.936 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738120162 600454634 /nfs/dbraw/zinc/45/46/34/600454634.db2.gz JDEASJHKKJASPK-YUIUBULTSA-N -1 0 344.338 3.607 20 0 EHADRM CCc1ccc([C@H](C)C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000737258114 600455482 /nfs/dbraw/zinc/45/54/82/600455482.db2.gz XOJMTOXPRWKVJG-SJCJKPOMSA-N -1 0 330.355 3.861 20 0 EHADRM O=C([O-])c1cccc(OCCOC(=O)c2cc3cc(F)ccc3o2)c1 ZINC000740231237 600457994 /nfs/dbraw/zinc/45/79/94/600457994.db2.gz JIDSTUBUAKAXEY-UHFFFAOYSA-N -1 0 344.294 3.506 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(C(=O)NC(C1CCCC1)C1CCCC1)CC2 ZINC000739523818 600467104 /nfs/dbraw/zinc/46/71/04/600467104.db2.gz DRKXZLDKMYQBEZ-INIZCTEOSA-N -1 0 348.487 3.632 20 0 EHADRM CC(C)[C@H](OC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000736556600 600467529 /nfs/dbraw/zinc/46/75/29/600467529.db2.gz MBNHHAFBJTZVGA-YGRLFVJLSA-N -1 0 332.318 3.851 20 0 EHADRM Cc1ccc(OC(=O)C[C@@H]2CCOc3ccccc32)c(C(=O)[O-])c1 ZINC000738637129 600473177 /nfs/dbraw/zinc/47/31/77/600473177.db2.gz ARYYHVCLWYCDES-ZDUSSCGKSA-N -1 0 326.348 3.555 20 0 EHADRM CCCCOCC(=O)Nc1ccc(Oc2ccccc2)cc1C(=O)[O-] ZINC000736999170 600475745 /nfs/dbraw/zinc/47/57/45/600475745.db2.gz LLXQLJJXWHPXNZ-UHFFFAOYSA-N -1 0 343.379 3.932 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)Nc2ccccc2SC(F)(F)F)C1 ZINC000263456900 600477747 /nfs/dbraw/zinc/47/77/47/600477747.db2.gz CINKYKIMVLBJBO-VIFPVBQESA-N -1 0 348.346 3.627 20 0 EHADRM Cc1ccc(C[C@H](C)N(C)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000738584583 600478130 /nfs/dbraw/zinc/47/81/30/600478130.db2.gz LQVWTTQKSBOKEV-ZDUSSCGKSA-N -1 0 344.386 3.927 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)cc1Cl ZINC000320369526 600478672 /nfs/dbraw/zinc/47/86/72/600478672.db2.gz OJBBZKXXHHKSOF-UHFFFAOYSA-N -1 0 347.651 3.847 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)c2ccc3cc[nH]c3c2)cc1 ZINC000238026415 600479491 /nfs/dbraw/zinc/47/94/91/600479491.db2.gz KAAFFVNYNMFOTB-UHFFFAOYSA-N -1 0 338.363 3.664 20 0 EHADRM C[C@@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000736840601 600481850 /nfs/dbraw/zinc/48/18/50/600481850.db2.gz ORLYWGZTUUMCRO-SNVBAGLBSA-N -1 0 346.333 3.814 20 0 EHADRM C[C@@H]1SCCN(C(=O)c2ccc(C(=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000237386590 600482439 /nfs/dbraw/zinc/48/24/39/600482439.db2.gz JJJDNFLRJIPHQG-SUMWQHHRSA-N -1 0 341.432 3.704 20 0 EHADRM CC1CCC(=CC(=O)NCc2ccc(OCCCC(=O)[O-])cc2)CC1 ZINC000236657924 600483307 /nfs/dbraw/zinc/48/33/07/600483307.db2.gz QYXDVWWVSHIVJD-UHFFFAOYSA-N -1 0 345.439 3.683 20 0 EHADRM Cc1ccc(NC(=O)C[C@H](C)C(=O)c2ccccc2)c(C(=O)[O-])c1 ZINC000738617164 600493497 /nfs/dbraw/zinc/49/34/97/600493497.db2.gz TUTSUNICWXYLGY-ZDUSSCGKSA-N -1 0 325.364 3.541 20 0 EHADRM Cc1oc(CN(C)C(=O)NC[C@@H](C)c2ccc(C)cc2)cc1C(=O)[O-] ZINC000738550117 600501092 /nfs/dbraw/zinc/50/10/92/600501092.db2.gz FJRPOBHJTRKSNL-CYBMUJFWSA-N -1 0 344.411 3.540 20 0 EHADRM Cc1c(NC(=O)N(Cc2ccccn2)C(C)C)cccc1C(=O)[O-] ZINC000738305334 600511581 /nfs/dbraw/zinc/51/15/81/600511581.db2.gz ZDTXNCSDUFIGLT-UHFFFAOYSA-N -1 0 327.384 3.531 20 0 EHADRM Cc1cc(CNC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc(C)c1O ZINC000738388647 600512814 /nfs/dbraw/zinc/51/28/14/600512814.db2.gz LCHXKCILFFYXSQ-UHFFFAOYSA-N -1 0 348.786 3.682 20 0 EHADRM O=C([O-])c1ccc(-c2noc(-c3coc(-c4ccccc4)n3)n2)cc1 ZINC000740100036 600516650 /nfs/dbraw/zinc/51/66/50/600516650.db2.gz NNYXPAVEWOBUGG-UHFFFAOYSA-N -1 0 333.303 3.757 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000236705452 600520434 /nfs/dbraw/zinc/52/04/34/600520434.db2.gz OAZWSQMJYYJJLV-SFHVURJKSA-N -1 0 325.408 3.516 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC000736358570 600521249 /nfs/dbraw/zinc/52/12/49/600521249.db2.gz KHZLYSUGALRFPX-GOSISDBHSA-N -1 0 326.392 3.734 20 0 EHADRM O=C([O-])c1cccc(OC(=O)Cc2c[nH]c3ccc(Cl)cc23)c1 ZINC000738482108 600521503 /nfs/dbraw/zinc/52/15/03/600521503.db2.gz PVMCLWQTIOUZSY-UHFFFAOYSA-N -1 0 329.739 3.668 20 0 EHADRM COc1cc(F)ccc1NCc1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000737893107 600523778 /nfs/dbraw/zinc/52/37/78/600523778.db2.gz XJNVZCAOOVGGQB-UHFFFAOYSA-N -1 0 333.359 3.527 20 0 EHADRM Cc1csc(-c2cccc(C(=O)N3CCCC[C@H]3CC(=O)[O-])c2)n1 ZINC000679398001 600525469 /nfs/dbraw/zinc/52/54/69/600525469.db2.gz YGQBLWYPCBYWPD-HNNXBMFYSA-N -1 0 344.436 3.588 20 0 EHADRM Cc1csc(-c2cccc(C(=O)N3CCCC[C@@H]3CC(=O)[O-])c2)n1 ZINC000679398002 600525514 /nfs/dbraw/zinc/52/55/14/600525514.db2.gz YGQBLWYPCBYWPD-OAHLLOKOSA-N -1 0 344.436 3.588 20 0 EHADRM CC(C)(C)C(=O)c1ccsc1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000736240560 600526929 /nfs/dbraw/zinc/52/69/29/600526929.db2.gz FLLJXJJFUSAINM-UHFFFAOYSA-N -1 0 331.393 3.927 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(C(=O)[O-])cn2)cc1OCCC(C)C ZINC000738627468 600531483 /nfs/dbraw/zinc/53/14/83/600531483.db2.gz KBZAUEPOWIBMEQ-UHFFFAOYSA-N -1 0 342.395 3.765 20 0 EHADRM CCOc1ccc(CCC(=O)N(CC)c2ccccc2C(=O)[O-])cc1 ZINC000737204872 600532465 /nfs/dbraw/zinc/53/24/65/600532465.db2.gz BLGSRESYRUZJPJ-UHFFFAOYSA-N -1 0 341.407 3.769 20 0 EHADRM CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000543433573 600533988 /nfs/dbraw/zinc/53/39/88/600533988.db2.gz DJBCODFSCMGQOI-UHFFFAOYSA-N -1 0 347.798 3.763 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)CCNC(=O)[O-])C1CCC(C)CC1 ZINC000738758982 600535677 /nfs/dbraw/zinc/53/56/77/600535677.db2.gz TYYWLFLNLLXHPS-LEHRNKBSSA-N -1 0 332.444 3.636 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cc(C3CCCCCC3)[nH]n2)cc1 ZINC000740115392 600540272 /nfs/dbraw/zinc/54/02/72/600540272.db2.gz XVSZQPZMHWEHRN-UHFFFAOYSA-N -1 0 327.384 3.798 20 0 EHADRM C[C@@H]1CCC[C@H](OCC(=O)Oc2cc(Cl)ccc2C(=O)[O-])C1 ZINC000736782773 600549739 /nfs/dbraw/zinc/54/97/39/600549739.db2.gz WKZWMIFUMCLPPQ-PWSUYJOCSA-N -1 0 326.776 3.539 20 0 EHADRM CCc1ccc([C@H]2CCCCCN2C(=O)c2cccc(C(=O)[O-])n2)o1 ZINC000262400230 600551154 /nfs/dbraw/zinc/55/11/54/600551154.db2.gz MBJAIILRVSLRDE-MRXNPFEDSA-N -1 0 342.395 3.693 20 0 EHADRM CCCc1c(C(=O)N(C)c2ccc(OCC)cc2)[nH]c(C)c1C(=O)[O-] ZINC000737042287 600551162 /nfs/dbraw/zinc/55/11/62/600551162.db2.gz TUHRWAHWNNHQGE-UHFFFAOYSA-N -1 0 344.411 3.649 20 0 EHADRM CC(C)[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000236654237 600553393 /nfs/dbraw/zinc/55/33/93/600553393.db2.gz IXLZVLAPZOGZKG-ZWNOBZJWSA-N -1 0 347.333 3.509 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)Oc1ccc(Cl)cc1C(=O)[O-] ZINC000736927273 600553871 /nfs/dbraw/zinc/55/38/71/600553871.db2.gz CVAFJYNPCMHWMQ-CYBMUJFWSA-N -1 0 326.776 3.681 20 0 EHADRM O=C([O-])C1CCN(C(=O)Nc2ccccc2-c2cccs2)CC1 ZINC000263491445 600555619 /nfs/dbraw/zinc/55/56/19/600555619.db2.gz OYFWJQNPWMDRBX-UHFFFAOYSA-N -1 0 330.409 3.744 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)CCc1ccc(-c2ccccc2)o1 ZINC000236730829 600558049 /nfs/dbraw/zinc/55/80/49/600558049.db2.gz AWLXSGBKCHXHMB-UHFFFAOYSA-N -1 0 329.396 3.591 20 0 EHADRM Cc1cc(COC(=O)CCc2ccc(C(=O)[O-])cc2)c2ccccc2n1 ZINC000738392109 600571907 /nfs/dbraw/zinc/57/19/07/600571907.db2.gz IHDOQDHUHQVWJV-UHFFFAOYSA-N -1 0 349.386 3.917 20 0 EHADRM CC(=O)c1ccc(-c2ccc(C(=O)O[C@H](CC(C)C)C(=O)[O-])o2)cc1 ZINC000736185544 600574121 /nfs/dbraw/zinc/57/41/21/600574121.db2.gz MEYPXKKPWYOZST-QGZVFWFLSA-N -1 0 344.363 3.805 20 0 EHADRM Cc1cccc(C)c1OC[C@H](C)NC(=O)c1ccccc1NC(=O)[O-] ZINC000738688530 600574585 /nfs/dbraw/zinc/57/45/85/600574585.db2.gz JNNNQEUMOXLIRG-AWEZNQCLSA-N -1 0 342.395 3.591 20 0 EHADRM Cc1[nH]c2ccccc2c1CCNC(=O)c1ccccc1NC(=O)[O-] ZINC000738249215 600577475 /nfs/dbraw/zinc/57/74/75/600577475.db2.gz QMWOPSVXXVSRFA-UHFFFAOYSA-N -1 0 337.379 3.539 20 0 EHADRM C[C@H](CC(=O)[O-])S[C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000736551831 600581862 /nfs/dbraw/zinc/58/18/62/600581862.db2.gz KXGGAJJMSHXORF-HTQZYQBOSA-N -1 0 336.240 3.917 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)C2(c3ccccc3F)CC2)c1 ZINC000740134146 600583756 /nfs/dbraw/zinc/58/37/56/600583756.db2.gz CINNLFVWQQGHQO-UHFFFAOYSA-N -1 0 333.746 3.848 20 0 EHADRM C[C@@H](CC(=O)[O-])SCc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000736557146 600584431 /nfs/dbraw/zinc/58/44/31/600584431.db2.gz RJAPZLWANIBPBK-NSHDSACASA-N -1 0 334.416 3.597 20 0 EHADRM C[C@H](CC(=O)[O-])SC[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000736553085 600585286 /nfs/dbraw/zinc/58/52/86/600585286.db2.gz RUZVMBHHWMWFPT-RHSMWYFYSA-N -1 0 346.448 3.690 20 0 EHADRM C[C@@H](CC(=O)[O-])SCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000736552258 600587520 /nfs/dbraw/zinc/58/75/20/600587520.db2.gz MFJQCDDABNCVGV-VIFPVBQESA-N -1 0 337.422 3.635 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000736708565 600589841 /nfs/dbraw/zinc/58/98/41/600589841.db2.gz JEGIMCYYMJXQFC-RHSMWYFYSA-N -1 0 343.448 3.593 20 0 EHADRM C/C(=C/C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1 ZINC000736116650 600591165 /nfs/dbraw/zinc/59/11/65/600591165.db2.gz CVMBROMRQKIIDV-SQVRQVGWSA-N -1 0 327.355 3.513 20 0 EHADRM C[C@H](CC(=O)[O-])SCC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000736552679 600593590 /nfs/dbraw/zinc/59/35/90/600593590.db2.gz PIOFIBDOYKHAGU-CYBMUJFWSA-N -1 0 329.421 3.889 20 0 EHADRM O=C([O-])Nc1ccc(N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)cc1 ZINC000738668153 600595020 /nfs/dbraw/zinc/59/50/20/600595020.db2.gz WIVKFAIKIYEFFQ-OAHLLOKOSA-N -1 0 345.786 3.647 20 0 EHADRM C[C@H](CSCC(=O)N(c1ccccc1)C1CCCCC1)C(=O)[O-] ZINC000736614471 600598373 /nfs/dbraw/zinc/59/83/73/600598373.db2.gz CVHVHQSQMQYRFC-CQSZACIVSA-N -1 0 335.469 3.806 20 0 EHADRM Cc1ccc(CCC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)c(C)c1 ZINC000738588961 600599592 /nfs/dbraw/zinc/59/95/92/600599592.db2.gz HKLXWBQAZMMOLI-IBGZPJMESA-N -1 0 325.408 3.520 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CCc2c(Cl)cccc2C1 ZINC000738531647 600600396 /nfs/dbraw/zinc/60/03/96/600600396.db2.gz BELPSVBAEODUSS-UHFFFAOYSA-N -1 0 344.798 3.937 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1ccccc1)Cc1ccc2ccccc2c1 ZINC000238190128 600605686 /nfs/dbraw/zinc/60/56/86/600605686.db2.gz AQFISFKRYTWAGD-LJQANCHMSA-N -1 0 333.387 3.513 20 0 EHADRM CC(C)(C)Oc1ccccc1NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC000262139221 600611013 /nfs/dbraw/zinc/61/10/13/600611013.db2.gz NEGIXCUFJJBZGL-UHFFFAOYSA-N -1 0 343.379 3.580 20 0 EHADRM O=C([O-])[C@H](CNc1ccnc(C2CC2)n1)Cc1ccc2ccccc2c1 ZINC000739501884 600611895 /nfs/dbraw/zinc/61/18/95/600611895.db2.gz KLUKZUMYOPAENL-SFHVURJKSA-N -1 0 347.418 3.863 20 0 EHADRM O=C([O-])[C@@H](CNc1ccnc(C2CC2)n1)Cc1ccc2ccccc2c1 ZINC000739501883 600612028 /nfs/dbraw/zinc/61/20/28/600612028.db2.gz KLUKZUMYOPAENL-GOSISDBHSA-N -1 0 347.418 3.863 20 0 EHADRM C[C@](NC(=O)c1cc(-c2ccccc2)ccc1Cl)(C(=O)[O-])C1CC1 ZINC000237454542 600613409 /nfs/dbraw/zinc/61/34/09/600613409.db2.gz IEHYGCYWCVTLSO-LJQANCHMSA-N -1 0 343.810 3.990 20 0 EHADRM Cc1c(NC(=O)c2ccccc2N2CCCCC2)cccc1C(=O)[O-] ZINC000738306696 600617165 /nfs/dbraw/zinc/61/71/65/600617165.db2.gz ZSXDTKBJAUZDOR-UHFFFAOYSA-N -1 0 338.407 3.936 20 0 EHADRM C[C@@](NC(=O)c1ccc(Oc2ccc(F)cc2)cc1)(C(=O)[O-])C1CC1 ZINC000736657145 600618654 /nfs/dbraw/zinc/61/86/54/600618654.db2.gz PMGMNESPAZRKGX-IBGZPJMESA-N -1 0 343.354 3.601 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC000740039922 600622687 /nfs/dbraw/zinc/62/26/87/600622687.db2.gz ACGXNQSZIFCGAJ-UHFFFAOYSA-N -1 0 342.370 3.968 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)CCOCc2ccccc2)c1 ZINC000178248114 600623190 /nfs/dbraw/zinc/62/31/90/600623190.db2.gz SIZUYKCMPNFVQO-UHFFFAOYSA-N -1 0 333.771 3.584 20 0 EHADRM CC(=O)Nc1cc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)ccc1C ZINC000178257027 600624309 /nfs/dbraw/zinc/62/43/09/600624309.db2.gz SVMNQXWALSUJBG-UHFFFAOYSA-N -1 0 346.770 3.557 20 0 EHADRM CCCN(CCc1cccc(F)c1)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000737019763 600635417 /nfs/dbraw/zinc/63/54/17/600635417.db2.gz NEASNVNDPYNRDJ-UHFFFAOYSA-N -1 0 346.402 3.564 20 0 EHADRM O=C([O-])c1sc(NCCc2ccc(F)cc2Cl)nc1Cl ZINC000740278911 600638448 /nfs/dbraw/zinc/63/84/48/600638448.db2.gz LILUHWFALHHUNS-UHFFFAOYSA-N -1 0 335.187 3.942 20 0 EHADRM O=C([O-])c1cccc(OCCSC[C@@H]2OCCc3ccccc32)c1 ZINC000740232074 600640273 /nfs/dbraw/zinc/64/02/73/600640273.db2.gz PIDTVXMSOQKLMB-SFHVURJKSA-N -1 0 344.432 3.811 20 0 EHADRM CSc1ccc(O[C@H](C)C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000362745874 600659851 /nfs/dbraw/zinc/65/98/51/600659851.db2.gz DXDOQHLSGCUAKU-LLVKDONJSA-N -1 0 331.393 3.513 20 0 EHADRM CSc1ccc(O[C@H](C)C(=O)Nc2cccc(NC(=O)[O-])c2)cc1 ZINC000738210959 600661871 /nfs/dbraw/zinc/66/18/71/600661871.db2.gz DZHYKGVCQOTJAQ-LLVKDONJSA-N -1 0 346.408 3.904 20 0 EHADRM CSc1ccc(O[C@@H](C)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000532002080 600662408 /nfs/dbraw/zinc/66/24/08/600662408.db2.gz OGAUAUNUIIXYQB-LBPRGKRZSA-N -1 0 345.420 3.821 20 0 EHADRM O=C([O-])c1cccc(-c2nc(COC(=O)CCC3CC3)cs2)c1 ZINC000833096158 600677911 /nfs/dbraw/zinc/67/79/11/600677911.db2.gz BCOHYDNHXXNTBI-UHFFFAOYSA-N -1 0 331.393 3.742 20 0 EHADRM COc1ccc2c(c1)c(C(=O)O[C@H](C)C(=O)[O-])c(C)n2C1CCCC1 ZINC000832499152 600689962 /nfs/dbraw/zinc/68/99/62/600689962.db2.gz FHHSXYBZFDHMKN-GFCCVEGCSA-N -1 0 345.395 3.703 20 0 EHADRM COc1ccc2c(c1)c(C(=O)O[C@@H](C)C(=O)[O-])c(C)n2C1CCCC1 ZINC000832499153 600690227 /nfs/dbraw/zinc/69/02/27/600690227.db2.gz FHHSXYBZFDHMKN-LBPRGKRZSA-N -1 0 345.395 3.703 20 0 EHADRM Cc1cc2c(cc1C)O[C@H](c1nc(-c3ccc(C(=O)[O-])cc3)no1)C2 ZINC000832906267 600692738 /nfs/dbraw/zinc/69/27/38/600692738.db2.gz ZRMOUZVIFZZSPU-INIZCTEOSA-N -1 0 336.347 3.728 20 0 EHADRM CC(C)C[C@@H](C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccccc1 ZINC000736401264 600696444 /nfs/dbraw/zinc/69/64/44/600696444.db2.gz FRIUWEXWBGQYAQ-IAGOWNOFSA-N -1 0 329.440 3.530 20 0 EHADRM O=C([O-])c1cccc(-c2noc(-c3cc(-c4ccccc4)on3)n2)c1 ZINC000833325889 600696840 /nfs/dbraw/zinc/69/68/40/600696840.db2.gz AZNPZVXQXQLSJR-UHFFFAOYSA-N -1 0 333.303 3.757 20 0 EHADRM O=C([O-])c1cccc(-c2noc(CCCOCc3ccccc3)n2)c1 ZINC000833327952 600697231 /nfs/dbraw/zinc/69/72/31/600697231.db2.gz NNUZLAFUJICIPS-UHFFFAOYSA-N -1 0 338.363 3.584 20 0 EHADRM Cc1cc(Cl)ccc1OCc1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000832886511 600699316 /nfs/dbraw/zinc/69/93/16/600699316.db2.gz FOOMIIPOEMXPHN-UHFFFAOYSA-N -1 0 344.754 3.976 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)c1cccc(-c2cscn2)c1 ZINC000833025594 600725363 /nfs/dbraw/zinc/72/53/63/600725363.db2.gz MMCZBTUKKHWCOD-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM C[C@@H](OC(=O)c1ccc(NC(=O)[O-])c(O)c1)c1c(F)cccc1F ZINC000827861410 600729661 /nfs/dbraw/zinc/72/96/61/600729661.db2.gz LPDRWXCMSLPKDX-MRVPVSSYSA-N -1 0 337.278 3.678 20 0 EHADRM C[C@H](Nc1nc(Cl)c(C(=O)[O-])s1)c1ccc(-n2cccn2)cc1 ZINC000827773659 600729892 /nfs/dbraw/zinc/72/98/92/600729892.db2.gz UINVANHYRKAOAE-VIFPVBQESA-N -1 0 348.815 3.854 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cccc(F)c1Cl)c1ccccc1F ZINC000833351600 600734372 /nfs/dbraw/zinc/73/43/72/600734372.db2.gz NTHKRWNUENGWKZ-ZDUSSCGKSA-N -1 0 326.682 3.601 20 0 EHADRM Cc1cc(S(=O)(=O)N(c2ccccc2C)C(C)C)ccc1C(=O)[O-] ZINC000832902103 600744182 /nfs/dbraw/zinc/74/41/82/600744182.db2.gz XWQFFIHIYXIXIH-UHFFFAOYSA-N -1 0 347.436 3.605 20 0 EHADRM O=C([O-])[C@H](N[C@H]1COc2ccccc21)c1ccc(Cl)cc1Cl ZINC000833167739 600745099 /nfs/dbraw/zinc/74/50/99/600745099.db2.gz PWCXBXMQDSHAPM-DZGCQCFKSA-N -1 0 338.190 3.842 20 0 EHADRM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)NC2CCC(C(=O)[O-])CC2)o1 ZINC000263492466 600749152 /nfs/dbraw/zinc/74/91/52/600749152.db2.gz ROXWJOCQRACBNB-HOJRLLLISA-N -1 0 348.443 3.714 20 0 EHADRM Cc1cccc2c(CC(=O)N3CCCc4c(C(=O)[O-])cccc43)c[nH]c21 ZINC000738747303 600768208 /nfs/dbraw/zinc/76/82/08/600768208.db2.gz HVMOZYZIHITXBZ-UHFFFAOYSA-N -1 0 348.402 3.696 20 0 EHADRM O=C([O-])C[C@H](NC(=O)/C=C/c1cccc(F)c1)c1cccc(Cl)c1 ZINC000776676538 600800509 /nfs/dbraw/zinc/80/05/09/600800509.db2.gz GSYAZJUKYSYUPC-WAVCKPEOSA-N -1 0 347.773 3.825 20 0 EHADRM Cc1cc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)sc1C ZINC000776674718 600805491 /nfs/dbraw/zinc/80/54/91/600805491.db2.gz LIYGPJVOAJMTTI-CYBMUJFWSA-N -1 0 337.828 3.964 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cccc(F)c1F)c1cccc(Cl)c1 ZINC000833200194 600807592 /nfs/dbraw/zinc/80/75/92/600807592.db2.gz JSAONAWKQLGOFF-ZDUSSCGKSA-N -1 0 339.725 3.564 20 0 EHADRM CC/C(=C\C(=O)N1CCCC[C@H]1CC(=O)[O-])c1cccc(Cl)c1 ZINC000828550209 600817954 /nfs/dbraw/zinc/81/79/54/600817954.db2.gz SSGTVYMFDHSRQY-BYIUCRAPSA-N -1 0 335.831 3.989 20 0 EHADRM C[C@@H](NC(=S)N1C[C@@H](CC(=O)[O-])c2ccccc21)c1ccccc1 ZINC000736660573 600819764 /nfs/dbraw/zinc/81/97/64/600819764.db2.gz LLEFKKRUSAEVIV-UKRRQHHQSA-N -1 0 340.448 3.701 20 0 EHADRM Cc1noc(C)c1CN(C)[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000833020966 600819790 /nfs/dbraw/zinc/81/97/90/600819790.db2.gz FWIPGGNXJJXMAJ-CQSZACIVSA-N -1 0 343.210 3.856 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000740235839 600828813 /nfs/dbraw/zinc/82/88/13/600828813.db2.gz RLSWAEUOKBSDCA-IAGOWNOFSA-N -1 0 327.424 3.880 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)ccc1F ZINC000740082083 600830043 /nfs/dbraw/zinc/83/00/43/600830043.db2.gz UQTBDPQAZRUIMJ-GHMZBOCLSA-N -1 0 335.281 3.544 20 0 EHADRM C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-])c1ccco1 ZINC000736215727 600833303 /nfs/dbraw/zinc/83/33/03/600833303.db2.gz MFDVOPDOMAEXLY-QMMMGPOBSA-N -1 0 327.258 3.739 20 0 EHADRM COC(=O)C[C@H](C)S[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000831129674 600839942 /nfs/dbraw/zinc/83/99/42/600839942.db2.gz ZCXPTYDSHNXMTB-MADCSZMMSA-N -1 0 337.224 3.804 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)[C@H]1C[C@@H]1C1CCCCC1)c1ccccc1 ZINC000362331036 600840090 /nfs/dbraw/zinc/84/00/90/600840090.db2.gz XOHBLOZNDCOWFM-SQNIBIBYSA-N -1 0 329.440 3.925 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000740066609 600840576 /nfs/dbraw/zinc/84/05/76/600840576.db2.gz UUOBDKZCQQHDKJ-NXEZZACHSA-N -1 0 335.281 3.544 20 0 EHADRM Cc1cccc2[nH]cc(CC(=O)N3C[C@@H](CC(=O)[O-])c4ccccc43)c21 ZINC000738746829 600846908 /nfs/dbraw/zinc/84/69/08/600846908.db2.gz MCNQSZMCUKPPHL-OAHLLOKOSA-N -1 0 348.402 3.624 20 0 EHADRM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000262559706 600848827 /nfs/dbraw/zinc/84/88/27/600848827.db2.gz ZGYBAPPOROMPIR-ZWKOTPCHSA-N -1 0 339.391 3.800 20 0 EHADRM CCCOc1ccc(CCC(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000681681759 600849232 /nfs/dbraw/zinc/84/92/32/600849232.db2.gz OLWCHPDWBQRBOU-UHFFFAOYSA-N -1 0 327.380 3.745 20 0 EHADRM CCCOc1ccc(CCC(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000236797848 600851033 /nfs/dbraw/zinc/85/10/33/600851033.db2.gz AKSXZTYWAMCONR-UHFFFAOYSA-N -1 0 345.370 3.884 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)c2ccc(OC(F)F)cc2)c2ccccc21 ZINC000327593512 600856353 /nfs/dbraw/zinc/85/63/53/600856353.db2.gz SJIDOZIWHGOBGS-GFCCVEGCSA-N -1 0 347.317 3.507 20 0 EHADRM CC(C)[C@H](C(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000236623651 600860018 /nfs/dbraw/zinc/86/00/18/600860018.db2.gz SPIUKIQPYLGAIQ-SFHVURJKSA-N -1 0 327.380 3.528 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)[C@H]2SCCc3sccc32)c1 ZINC000833287385 600863615 /nfs/dbraw/zinc/86/36/15/600863615.db2.gz CQRBKVWFKVCVRM-ZDUSSCGKSA-N -1 0 334.422 3.807 20 0 EHADRM CCC(C)(C)C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000736859798 600867602 /nfs/dbraw/zinc/86/76/02/600867602.db2.gz GTIGTTZVRZDEIP-UHFFFAOYSA-N -1 0 332.169 3.661 20 0 EHADRM C[C@H](CC(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1)C(=O)c1cccc(F)c1 ZINC000827391759 600869157 /nfs/dbraw/zinc/86/91/57/600869157.db2.gz JWHDPKAAPDTKBM-MNOVXSKESA-N -1 0 348.326 3.630 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1cccc2cc[nH]c21 ZINC000236637855 600869505 /nfs/dbraw/zinc/86/95/05/600869505.db2.gz FFYGNQKZYFTEOW-UHFFFAOYSA-N -1 0 338.363 3.906 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)CCc1c[nH]c2ccc(C)cc12 ZINC000832960433 600869522 /nfs/dbraw/zinc/86/95/22/600869522.db2.gz QRXXIXZCFQQOPR-UHFFFAOYSA-N -1 0 341.363 3.752 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc(Cc3ccncc3)cc2)C1 ZINC000833185288 600871771 /nfs/dbraw/zinc/87/17/71/600871771.db2.gz GISQKHWQPJHMCR-SJORKVTESA-N -1 0 338.407 3.502 20 0 EHADRM Cc1cc2sc(NC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)nc2c(C)c1 ZINC000832875061 600873393 /nfs/dbraw/zinc/87/33/93/600873393.db2.gz OSVXYWDPMOBSOM-VXGBXAGGSA-N -1 0 332.425 3.743 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H](C)c2ccc(C)o2)cc1 ZINC000832777501 600875831 /nfs/dbraw/zinc/87/58/31/600875831.db2.gz PIOGQCPYTMSORX-WFASDCNBSA-N -1 0 347.436 3.746 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)CCC(F)(F)F)c1 ZINC000238211348 600876700 /nfs/dbraw/zinc/87/67/00/600876700.db2.gz FAZIUHOVZUVREP-UHFFFAOYSA-N -1 0 335.347 3.676 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)[C@@H](c2ccccc2)C(C)C)C(=O)[O-])cc1 ZINC000540671490 600880480 /nfs/dbraw/zinc/88/04/80/600880480.db2.gz RSCKAMBDSYOCGX-RTBURBONSA-N -1 0 339.435 3.719 20 0 EHADRM C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000262122866 600880759 /nfs/dbraw/zinc/88/07/59/600880759.db2.gz CFUIYMOAYDYDHN-LBPRGKRZSA-N -1 0 345.370 3.594 20 0 EHADRM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000262268520 600881579 /nfs/dbraw/zinc/88/15/79/600881579.db2.gz SCZZIVUECXPNTM-AWEZNQCLSA-N -1 0 341.407 3.763 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccc(OC3CCCC3)cc2)C1 ZINC000179958335 600882831 /nfs/dbraw/zinc/88/28/31/600882831.db2.gz XLAHCYOKTNBJLE-ZIAGYGMSSA-N -1 0 331.412 3.838 20 0 EHADRM Cc1cc(C(=O)[O-])c2sc(NC(=O)CCCC3CCCC3)nc2n1 ZINC000832867709 600883023 /nfs/dbraw/zinc/88/30/23/600883023.db2.gz QUBBMVKQHOBUEM-UHFFFAOYSA-N -1 0 347.440 3.997 20 0 EHADRM Cc1ccc([C@@H](C)C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)o1 ZINC000832922581 600883785 /nfs/dbraw/zinc/88/37/85/600883785.db2.gz CDCVBRTUIDAUJK-CYBMUJFWSA-N -1 0 331.368 3.574 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NC2CCC(c3ccccc3)CC2)C1 ZINC000180111960 600886185 /nfs/dbraw/zinc/88/61/85/600886185.db2.gz AKDLKAYWYCNDIP-QLOLRVAOSA-N -1 0 329.440 3.720 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NCC2(c3ccccc3)CCCCC2)C1 ZINC000540924165 600888180 /nfs/dbraw/zinc/88/81/80/600888180.db2.gz GEWCMSIEQTZGRQ-IAGOWNOFSA-N -1 0 343.467 3.896 20 0 EHADRM Cc1nc(C2CCCC2)sc1C(=O)N(CC(=O)[O-])c1ccccc1 ZINC000156387086 600888866 /nfs/dbraw/zinc/88/88/66/600888866.db2.gz SSPLCTSULSVDIC-UHFFFAOYSA-N -1 0 344.436 3.841 20 0 EHADRM Cc1nc(-c2cccc(C(=O)NC[C@H](CC(C)C)C(=O)[O-])c2)cs1 ZINC000262547758 600895299 /nfs/dbraw/zinc/89/52/99/600895299.db2.gz WIXKCQBFKDNWFK-HNNXBMFYSA-N -1 0 346.452 3.595 20 0 EHADRM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000314494558 600898944 /nfs/dbraw/zinc/89/89/44/600898944.db2.gz POGYKOKHPLCAQW-UHFFFAOYSA-N -1 0 339.800 3.896 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000357414706 600902809 /nfs/dbraw/zinc/90/28/09/600902809.db2.gz DTMCKTAZMCLHIP-PXAZEXFGSA-N -1 0 327.355 3.747 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000357414727 600903042 /nfs/dbraw/zinc/90/30/42/600903042.db2.gz DTMCKTAZMCLHIP-SJKOYZFVSA-N -1 0 327.355 3.747 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccc(Oc3ccccc3)nc2)C1 ZINC000833185218 600907690 /nfs/dbraw/zinc/90/76/90/600907690.db2.gz GCTRFVLTQQKWRA-UONOGXRCSA-N -1 0 340.379 3.703 20 0 EHADRM CC(C)CN(Cc1ccccc1F)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000630227240 600914902 /nfs/dbraw/zinc/91/49/02/600914902.db2.gz JYWIQAMPPHCZGH-HUUCEWRRSA-N -1 0 335.419 3.701 20 0 EHADRM CC(C)CN(Cc1ccccc1F)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000630227236 600915190 /nfs/dbraw/zinc/91/51/90/600915190.db2.gz JYWIQAMPPHCZGH-CABCVRRESA-N -1 0 335.419 3.701 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2cnccc2Oc2ccccc2)C1 ZINC000833187498 600918730 /nfs/dbraw/zinc/91/87/30/600918730.db2.gz RPFSJCPCMAULNL-ZIAGYGMSSA-N -1 0 340.379 3.703 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N2CC3(CCCC3)c3c2cccc3F)C1 ZINC000498624580 600919006 /nfs/dbraw/zinc/91/90/06/600919006.db2.gz AGBGZZPTDLQMTM-KBPBESRZSA-N -1 0 345.414 3.875 20 0 EHADRM COc1c(Cl)cc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1Cl ZINC000262567845 600921100 /nfs/dbraw/zinc/92/11/00/600921100.db2.gz MEXKGSFMOPJZOG-DTWKUNHWSA-N -1 0 346.210 3.832 20 0 EHADRM CCC(CC)(NC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1)C(=O)[O-] ZINC000342580856 600922029 /nfs/dbraw/zinc/92/20/29/600922029.db2.gz YBOZEKKPKINKMM-UHFFFAOYSA-N -1 0 343.379 3.522 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1)C(=O)[O-] ZINC000486289106 600922780 /nfs/dbraw/zinc/92/27/80/600922780.db2.gz ZUUPZLNJKXFELV-SQNIBIBYSA-N -1 0 331.456 3.777 20 0 EHADRM CCC(CC)(NC(=O)CSc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000828835210 600923551 /nfs/dbraw/zinc/92/35/51/600923551.db2.gz QHFHBYWAZFOUGZ-UHFFFAOYSA-N -1 0 349.374 3.557 20 0 EHADRM CCCC[C@H](Sc1nc2ccccc2c(=O)n1CCC)C(=O)[O-] ZINC000736985646 600936104 /nfs/dbraw/zinc/93/61/04/600936104.db2.gz PLEIVKFQOOBYCX-AWEZNQCLSA-N -1 0 334.441 3.542 20 0 EHADRM O=C([O-])c1cccc(OC(=O)COc2cc(Cl)cc(Cl)c2)c1 ZINC000833114680 600939373 /nfs/dbraw/zinc/93/93/73/600939373.db2.gz SDEAUEYHANYNHL-UHFFFAOYSA-N -1 0 341.146 3.676 20 0 EHADRM Cc1ccc(C)c2sc(NC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)nc21 ZINC000832925392 600941896 /nfs/dbraw/zinc/94/18/96/600941896.db2.gz MLJCREKJYYNMRE-VXGBXAGGSA-N -1 0 332.425 3.743 20 0 EHADRM O=C([O-])c1cccc(COC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)c1 ZINC000833329068 600945105 /nfs/dbraw/zinc/94/51/05/600945105.db2.gz VHRSUNXZWAQRLS-ZIAGYGMSSA-N -1 0 332.302 3.510 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000647156713 600945763 /nfs/dbraw/zinc/94/57/63/600945763.db2.gz NXEYPIJEUPGRQS-KFWWJZLASA-N -1 0 335.831 3.547 20 0 EHADRM Cc1ccc(OC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)c(C(=O)[O-])c1 ZINC000832953511 600946421 /nfs/dbraw/zinc/94/64/21/600946421.db2.gz VDAFOFBESGBQSS-DGCLKSJQSA-N -1 0 332.302 3.681 20 0 EHADRM O=C([O-])[C@H](OC(=O)Cc1cc(F)ccc1F)c1cccc(Cl)c1 ZINC000833116845 600948744 /nfs/dbraw/zinc/94/87/44/600948744.db2.gz ICLDRTWVYIXONI-OAHLLOKOSA-N -1 0 340.709 3.530 20 0 EHADRM C[C@@H]1SCCN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)[C@H]1c1ccccc1 ZINC000245651621 600959358 /nfs/dbraw/zinc/95/93/58/600959358.db2.gz CRVWMXFWZAQGRO-RKTXRCNFSA-N -1 0 347.480 3.583 20 0 EHADRM O=C([O-])C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc21 ZINC000325270233 600961549 /nfs/dbraw/zinc/96/15/49/600961549.db2.gz HCLYIMSRFULMJQ-GFCCVEGCSA-N -1 0 346.770 3.827 20 0 EHADRM Cc1ccccc1-c1noc(CN2C[C@H](CC(=O)[O-])c3ccccc32)n1 ZINC000738756395 600964025 /nfs/dbraw/zinc/96/40/25/600964025.db2.gz MEUMRLJADHPIBK-AWEZNQCLSA-N -1 0 349.390 3.624 20 0 EHADRM Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1cc(C(=O)[O-])ccc1Cl)C2 ZINC000832906117 600965398 /nfs/dbraw/zinc/96/53/98/600965398.db2.gz UJNOVRATHGBCMK-MRXNPFEDSA-N -1 0 345.782 3.597 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=S)N[C@H]1CCc2ccccc2C1 ZINC000832915252 600970157 /nfs/dbraw/zinc/97/01/57/600970157.db2.gz KGXZXDXDRINORU-INIZCTEOSA-N -1 0 340.448 3.537 20 0 EHADRM CCOc1cccc(NC(=S)N(C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000830104536 600970387 /nfs/dbraw/zinc/97/03/87/600970387.db2.gz GXYUYZQIIBSAOJ-UHFFFAOYSA-N -1 0 344.436 3.612 20 0 EHADRM C[C@@H]1CN([C@H](C(=O)[O-])c2ccc(F)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000581671725 600971753 /nfs/dbraw/zinc/97/17/53/600971753.db2.gz FRLWMTBTASOECQ-UUWFMWQGSA-N -1 0 347.361 3.553 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CC[C@@H](CSc3ccccc3)C2)C1 ZINC000245700227 600975370 /nfs/dbraw/zinc/97/53/70/600975370.db2.gz LOIJUUXDGQITOU-OWCLPIDISA-N -1 0 347.480 3.518 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000736343257 600992782 /nfs/dbraw/zinc/99/27/82/600992782.db2.gz AJUYQKUEVWBVPU-UHFFFAOYSA-N -1 0 325.364 3.982 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000094705005 600995202 /nfs/dbraw/zinc/99/52/02/600995202.db2.gz UORSKAGEZLAWPM-VIFPVBQESA-N -1 0 333.215 3.862 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000325317399 600995551 /nfs/dbraw/zinc/99/55/51/600995551.db2.gz BYPJHFQEYUSCFO-UHFFFAOYSA-N -1 0 334.322 3.971 20 0 EHADRM CCc1cccc(CC)c1NC(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000327359210 600995715 /nfs/dbraw/zinc/99/57/15/600995715.db2.gz NZKMDKMWHNHJJI-KRWDZBQOSA-N -1 0 340.423 3.801 20 0 EHADRM O=C([O-])CCNC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000819492650 600997922 /nfs/dbraw/zinc/99/79/22/600997922.db2.gz WYLOFDUFPCWVTC-UHFFFAOYSA-N -1 0 341.392 3.560 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cc2cccc(F)c2o1)c1cccs1 ZINC000675951013 600999300 /nfs/dbraw/zinc/99/93/00/600999300.db2.gz OIYQQUNSMRXJLO-LLVKDONJSA-N -1 0 333.340 3.579 20 0 EHADRM O=C([O-])[C@H](c1ccccc1F)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000833174767 600999386 /nfs/dbraw/zinc/99/93/86/600999386.db2.gz VYJFBPZPULRPOH-SFHVURJKSA-N -1 0 342.345 3.630 20 0 EHADRM Cc1c(NC(=O)[C@@H]2CCSc3ccccc32)cccc1C(=O)[O-] ZINC000738299118 601001229 /nfs/dbraw/zinc/00/12/29/601001229.db2.gz IOEFJSQBPXNXHE-CQSZACIVSA-N -1 0 327.405 3.911 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2cc(Cl)ccc2NC2CC2)c1 ZINC000833328510 601001629 /nfs/dbraw/zinc/00/16/29/601001629.db2.gz KBRHDOZQBGGJOX-UHFFFAOYSA-N -1 0 330.771 3.865 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cc2cccc(F)c2o1 ZINC000676010017 601001795 /nfs/dbraw/zinc/00/17/95/601001795.db2.gz QQTQDJPRGROHLR-UHFFFAOYSA-N -1 0 327.311 3.542 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@@H]1CCSc2ccccc21 ZINC000737470562 601002385 /nfs/dbraw/zinc/00/23/85/601002385.db2.gz NATUFXUPXKMHBQ-MRXNPFEDSA-N -1 0 341.432 3.623 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)[C@H]1CCSc2ccccc21 ZINC000738084967 601005326 /nfs/dbraw/zinc/00/53/26/601005326.db2.gz KHDUFKIMPOTGOV-LBPRGKRZSA-N -1 0 344.388 3.578 20 0 EHADRM C[C@H](CNC(=O)Nc1cccc(C(=O)[O-])c1)Oc1ccccc1Cl ZINC000827493576 601008813 /nfs/dbraw/zinc/00/88/13/601008813.db2.gz WQPFNBSVGCAMEZ-LLVKDONJSA-N -1 0 348.786 3.627 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1cccc(N2CCCCC2)c1)C(=O)[O-] ZINC000818623395 601028455 /nfs/dbraw/zinc/02/84/55/601028455.db2.gz JNDGQAMIBYZHJH-OAHLLOKOSA-N -1 0 347.459 3.545 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccc(F)cc1F ZINC000827486479 601032412 /nfs/dbraw/zinc/03/24/12/601032412.db2.gz NJIIDKJKEQERDK-LLVKDONJSA-N -1 0 348.349 3.517 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(OCCC(=O)[O-])cc1)C1CCCCC1 ZINC000827679778 601034886 /nfs/dbraw/zinc/03/48/86/601034886.db2.gz HHQRVADYNHJXQZ-CYBMUJFWSA-N -1 0 334.416 3.630 20 0 EHADRM C[C@@H]1CCC[C@H](C)N(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC000828240446 601035344 /nfs/dbraw/zinc/03/53/44/601035344.db2.gz WAUVSIIXIRBPFP-KGLIPLIRSA-N -1 0 334.416 3.583 20 0 EHADRM C[C@H](CC(=O)N(c1ncc(C(=O)[O-])s1)C1CC1)c1ccccc1F ZINC000736544291 601036174 /nfs/dbraw/zinc/03/61/74/601036174.db2.gz DMXDGDCEEFHFDH-SNVBAGLBSA-N -1 0 348.399 3.670 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)cc1 ZINC000736296446 601039377 /nfs/dbraw/zinc/03/93/77/601039377.db2.gz FBABPCWDZQXCEZ-UHFFFAOYSA-N -1 0 344.436 3.948 20 0 EHADRM Cc1cnc([C@H](NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)C2CC2)s1 ZINC000832985430 601041008 /nfs/dbraw/zinc/04/10/08/601041008.db2.gz FPDOWXBOZGXGGZ-CQSZACIVSA-N -1 0 345.424 3.731 20 0 EHADRM CC[C@H](C)C[C@H](C)NC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000828741136 601041483 /nfs/dbraw/zinc/04/14/83/601041483.db2.gz ZSMBFWZNYOZYKM-STQMWFEESA-N -1 0 338.473 3.951 20 0 EHADRM O=C([O-])COc1ccc(C(=O)N2CCCCCc3ccccc32)cc1 ZINC000663092536 601042745 /nfs/dbraw/zinc/04/27/45/601042745.db2.gz QTYOXROASVTKMH-UHFFFAOYSA-N -1 0 339.391 3.523 20 0 EHADRM Cc1ccc(CC[C@H](C)NC(=O)Nc2ccc(CCC(=O)[O-])cc2)o1 ZINC000832930531 601048082 /nfs/dbraw/zinc/04/80/82/601048082.db2.gz PRUUKUPNVCTLNB-ZDUSSCGKSA-N -1 0 344.411 3.748 20 0 EHADRM Cc1cccc(C)c1NCC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000738308261 601054755 /nfs/dbraw/zinc/05/47/55/601054755.db2.gz JWFUQPHQYDJNHW-UHFFFAOYSA-N -1 0 332.787 3.706 20 0 EHADRM CCSCC[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000160582013 601055054 /nfs/dbraw/zinc/05/50/54/601055054.db2.gz LKFIJSCRAWBPFO-SECBINFHSA-N -1 0 330.837 3.691 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H]2C[C@H]2Cc2ccccc2)cc1Cl ZINC000833153943 601055973 /nfs/dbraw/zinc/05/59/73/601055973.db2.gz SCJXHAHAKUPABS-WBMJQRKESA-N -1 0 344.798 3.791 20 0 EHADRM CSc1ccc(F)cc1CNC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000832781697 601056480 /nfs/dbraw/zinc/05/64/80/601056480.db2.gz ZRGOIOAQQZSVIE-UHFFFAOYSA-N -1 0 348.399 3.876 20 0 EHADRM CCC[C@@](C)(NC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000362517437 601056705 /nfs/dbraw/zinc/05/67/05/601056705.db2.gz ZSXMUOBPJCTIAJ-BJOHPYRUSA-N -1 0 332.227 3.857 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cccc(O)c1)c1ccc(Cl)cc1Cl ZINC000833349141 601063413 /nfs/dbraw/zinc/06/34/13/601063413.db2.gz BSGQIXWFVKMVMN-ZDUSSCGKSA-N -1 0 341.146 3.682 20 0 EHADRM Cc1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000320428302 601064639 /nfs/dbraw/zinc/06/46/39/601064639.db2.gz REYLDJDXXRCNOJ-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM Cc1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)cc1C(=O)[O-] ZINC000110987749 601065982 /nfs/dbraw/zinc/06/59/82/601065982.db2.gz XJXMYUWWXBYKSD-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM O=C([O-])[C@@H](OC(=O)Cc1ccc2c(c1)CCCC2)c1ccccc1F ZINC000833117155 601067117 /nfs/dbraw/zinc/06/71/17/601067117.db2.gz CXIGRTAOEJJCDH-IBGZPJMESA-N -1 0 342.366 3.616 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)NC[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000261696425 601074820 /nfs/dbraw/zinc/07/48/20/601074820.db2.gz OFXJMMKUQFFGSE-KFKAGJAMSA-N -1 0 339.435 3.801 20 0 EHADRM CSCc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2C)ccc1F ZINC000128668917 601079466 /nfs/dbraw/zinc/07/94/66/601079466.db2.gz SAPOUWIQNCYMPW-UHFFFAOYSA-N -1 0 333.384 3.948 20 0 EHADRM Cc1ccccc1CCC(=O)N1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000832980929 601080495 /nfs/dbraw/zinc/08/04/95/601080495.db2.gz PZTPVIAAABJCMD-OALUTQOASA-N -1 0 343.467 3.810 20 0 EHADRM CSCc1cc(C(=O)Oc2ccc(NC(=O)[O-])cc2)ccc1F ZINC000832766782 601082102 /nfs/dbraw/zinc/08/21/02/601082102.db2.gz OASPVZNTZOKXJO-UHFFFAOYSA-N -1 0 335.356 3.998 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1cnc(C2CC2)s1 ZINC000621581616 601082255 /nfs/dbraw/zinc/08/22/55/601082255.db2.gz VJUHZMGIEUMUIO-ZIAGYGMSSA-N -1 0 348.468 3.516 20 0 EHADRM Cc1ccc(F)c(C(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1 ZINC000832936153 601082308 /nfs/dbraw/zinc/08/23/08/601082308.db2.gz ZHMOKLHDKNNBHM-PBHICJAKSA-N -1 0 333.403 3.630 20 0 EHADRM Cc1[nH]c(C(=O)N2C[C@@H](C)C[C@@H]2c2cccc(F)c2)c(C)c1C(=O)[O-] ZINC000738162641 601086155 /nfs/dbraw/zinc/08/61/55/601086155.db2.gz WZKZXWNSQNXUAP-ZUZCIYMTSA-N -1 0 344.386 3.692 20 0 EHADRM C[C@@H](Cc1cccs1)NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000325333297 601086997 /nfs/dbraw/zinc/08/69/97/601086997.db2.gz HWLGEUKSUUNCTB-LBPRGKRZSA-N -1 0 346.452 3.863 20 0 EHADRM C[C@H](Cc1ccsc1)NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000325315054 601091438 /nfs/dbraw/zinc/09/14/38/601091438.db2.gz BJIRDQSGBQPCKR-GFCCVEGCSA-N -1 0 346.452 3.863 20 0 EHADRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)CCc1ccccc1F ZINC000833176222 601091588 /nfs/dbraw/zinc/09/15/88/601091588.db2.gz CBESCNXXCILMTA-FUHWJXTLSA-N -1 0 347.430 3.640 20 0 EHADRM CN(Cc1cccc(F)c1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000327155711 601092804 /nfs/dbraw/zinc/09/28/04/601092804.db2.gz GPUDJRRTDRWGHC-UHFFFAOYSA-N -1 0 344.386 3.852 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)c1cc2c(s1)CCC2 ZINC000833180375 601093720 /nfs/dbraw/zinc/09/37/20/601093720.db2.gz UFXSOUBIVRGOAN-GJZGRUSLSA-N -1 0 347.480 3.732 20 0 EHADRM CC1CCC(CNC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CC1 ZINC000391689033 601094081 /nfs/dbraw/zinc/09/40/81/601094081.db2.gz YVDYWHNTRYQMQH-UHFFFAOYSA-N -1 0 332.444 3.997 20 0 EHADRM C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)[C@@H]1c1cccc(F)c1 ZINC000180129892 601107776 /nfs/dbraw/zinc/10/77/76/601107776.db2.gz RBJIJOVBJQYGTI-UTXMOHQDSA-N -1 0 333.403 3.626 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1Cc2ccccc2[C@H]1C ZINC000832918617 601117533 /nfs/dbraw/zinc/11/75/33/601117533.db2.gz WSBAVLADUVGFHK-ZIAGYGMSSA-N -1 0 338.407 3.597 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccc(OCC2CC2)cc1)c1ccccc1F ZINC000833352673 601118419 /nfs/dbraw/zinc/11/84/19/601118419.db2.gz YQOJRWFENMPMAW-KRWDZBQOSA-N -1 0 344.338 3.597 20 0 EHADRM CCN(C(=O)c1cc(SC)ccc1C)c1ncc(C(=O)[O-])s1 ZINC000737057615 601124963 /nfs/dbraw/zinc/12/49/63/601124963.db2.gz ILYFOUKBDWBXIM-UHFFFAOYSA-N -1 0 336.438 3.538 20 0 EHADRM Cc1sc(NC(=O)c2c(F)c(F)cc(F)c2F)c(C(=O)[O-])c1C ZINC000833035732 601127115 /nfs/dbraw/zinc/12/71/15/601127115.db2.gz ACGBZRVTAOODBX-UHFFFAOYSA-N -1 0 347.289 3.872 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)N2C[C@H]3CCCC[C@@H]3C2)c1 ZINC000833262292 601129179 /nfs/dbraw/zinc/12/91/79/601129179.db2.gz BVYTUVVQIVSRDS-HUUCEWRRSA-N -1 0 348.468 3.658 20 0 EHADRM Cc1ccc(NC(=O)NCCc2c[nH]c3ccccc23)cc1C(=O)[O-] ZINC000832947202 601139191 /nfs/dbraw/zinc/13/91/91/601139191.db2.gz STLZETSHTXIQJR-UHFFFAOYSA-N -1 0 337.379 3.539 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1C(=O)[O-] ZINC000832947576 601145320 /nfs/dbraw/zinc/14/53/20/601145320.db2.gz SCQPMPGCHFTWCA-GHMZBOCLSA-N -1 0 344.333 3.936 20 0 EHADRM CC[C@@H](C)[C@H](C)N(C(=O)NCCc1ccc(C(=O)[O-])cc1)C1CC1 ZINC000828708769 601147759 /nfs/dbraw/zinc/14/77/59/601147759.db2.gz NMTJPYXQORXUOB-KGLIPLIRSA-N -1 0 332.444 3.536 20 0 EHADRM C[C@@H]1CCN(C(=O)NCCCCCC(=O)[O-])[C@@H]1c1cccc(F)c1 ZINC000414620085 601147964 /nfs/dbraw/zinc/14/79/64/601147964.db2.gz CIIYRVSWLGESRW-DYVFJYSZSA-N -1 0 336.407 3.563 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2nc3cc(Cl)ccc3s2)C1 ZINC000833185382 601149067 /nfs/dbraw/zinc/14/90/67/601149067.db2.gz HADKVKCHDHFRDK-IUCAKERBSA-N -1 0 338.816 3.779 20 0 EHADRM C[C@H]1CCN(C(=O)NC2CCC(C(=O)[O-])CC2)[C@@H]1c1cccc(F)c1 ZINC000263514239 601149750 /nfs/dbraw/zinc/14/97/50/601149750.db2.gz ZUSMPPSKWADUNL-KLBWVBMESA-N -1 0 348.418 3.562 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000630294200 601158518 /nfs/dbraw/zinc/15/85/18/601158518.db2.gz GURKZQGLKWFMJE-PEZLKRJXSA-N -1 0 329.440 3.671 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000826026371 601165746 /nfs/dbraw/zinc/16/57/46/601165746.db2.gz NZOCSCFFRLEWQK-GZOFFPIQSA-N -1 0 341.451 3.781 20 0 EHADRM Cc1c(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cnc2ccccc12 ZINC000431667388 601165895 /nfs/dbraw/zinc/16/58/95/601165895.db2.gz YQMMCDRRHHDFJY-AUUYWEPGSA-N -1 0 348.402 3.735 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000767073665 601169203 /nfs/dbraw/zinc/16/92/03/601169203.db2.gz FUEVATXGNINIFX-GLJUWKHASA-N -1 0 343.398 3.583 20 0 EHADRM Cc1cccc2cc(C(=O)N[C@H](c3ccccc3)[C@H](C)C(=O)[O-])oc21 ZINC000486043823 601169225 /nfs/dbraw/zinc/16/92/25/601169225.db2.gz WZRCRZACKJLEDC-GUYCJALGSA-N -1 0 337.375 3.933 20 0 EHADRM O=C([O-])[C@@H](OC(=O)[C@@H]1CCCS1)c1ccc(Cl)cc1Cl ZINC000833351411 601175281 /nfs/dbraw/zinc/17/52/81/601175281.db2.gz QXMIYMAGJJDJRE-QWRGUYRKSA-N -1 0 335.208 3.558 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)OCc2ccc(Cl)c3cccnc23)C1 ZINC000833189264 601176663 /nfs/dbraw/zinc/17/66/63/601176663.db2.gz QWCMBNNOQWRHPW-VXGBXAGGSA-N -1 0 347.798 3.822 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)OCc2cc3ccccc3nc2Cl)C1 ZINC000833190765 601185345 /nfs/dbraw/zinc/18/53/45/601185345.db2.gz YTACPKGDDXLHAF-QWHCGFSZSA-N -1 0 347.798 3.822 20 0 EHADRM CCc1ccc(C(=O)CCC(=O)NC2(CC(=O)[O-])CCCCC2)cc1 ZINC000562507139 601185428 /nfs/dbraw/zinc/18/54/28/601185428.db2.gz UOKYGSVOVYNEIC-UHFFFAOYSA-N -1 0 345.439 3.506 20 0 EHADRM O=C([O-])CC1(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)CCCCC1 ZINC000649357274 601186763 /nfs/dbraw/zinc/18/67/63/601186763.db2.gz JMXHKHISKFHTFL-UHFFFAOYSA-N -1 0 348.830 3.658 20 0 EHADRM COc1ccc([C@H](C)OC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1Cl ZINC000832226663 601188253 /nfs/dbraw/zinc/18/82/53/601188253.db2.gz QNNITXIKPHSAJT-WCFLWFBJSA-N -1 0 340.803 3.844 20 0 EHADRM Cc1c(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)cnc2ccccc12 ZINC000832852919 601188933 /nfs/dbraw/zinc/18/89/33/601188933.db2.gz BVPXKUHAKHZYGP-NSHDSACASA-N -1 0 325.320 3.752 20 0 EHADRM CCS[C@H]1CCC[C@H](NC(=O)Nc2cc(C(=O)[O-])ccc2F)C1 ZINC000830158471 601191103 /nfs/dbraw/zinc/19/11/03/601191103.db2.gz WKNDFACUGSUOGE-RYUDHWBXSA-N -1 0 340.420 3.710 20 0 EHADRM CC[C@@H](C)CN(CC)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000828747497 601192400 /nfs/dbraw/zinc/19/24/00/601192400.db2.gz PQTSBDINYSOBQI-CYBMUJFWSA-N -1 0 338.473 3.904 20 0 EHADRM Cc1ccc(OC(=O)C[C@H](C)C(=O)c2cccc(F)c2)c(C(=O)[O-])c1 ZINC000832953250 601192783 /nfs/dbraw/zinc/19/27/83/601192783.db2.gz PHJVESNWDAROGK-LBPRGKRZSA-N -1 0 344.338 3.647 20 0 EHADRM O=C([O-])c1sc(N2CCC[C@@H]2Cc2ccc(F)cc2)nc1Cl ZINC000833346208 601209234 /nfs/dbraw/zinc/20/92/34/601209234.db2.gz KCCCKUIXYOMPJU-LLVKDONJSA-N -1 0 340.807 3.845 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cccc(C(F)(F)F)c2F)c1O ZINC000392324019 601210242 /nfs/dbraw/zinc/21/02/42/601210242.db2.gz PAPZXTYEGTZXCL-UHFFFAOYSA-N -1 0 343.232 3.501 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)[C@H]2CC23CCCC3)c1 ZINC000262368935 601269454 /nfs/dbraw/zinc/26/94/54/601269454.db2.gz FRRHOVYJAYUQOC-OAHLLOKOSA-N -1 0 333.453 3.913 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000236876974 601276470 /nfs/dbraw/zinc/27/64/70/601276470.db2.gz QJKSXRKAYWTTCH-MRXNPFEDSA-N -1 0 331.343 3.628 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000666361567 601276503 /nfs/dbraw/zinc/27/65/03/601276503.db2.gz BWFHZPKQCXTAOH-CABCVRRESA-N -1 0 347.436 3.546 20 0 EHADRM CCC1CCC(NC(=O)Cc2c[nH]c3cccc(C)c23)(C(=O)[O-])CC1 ZINC000345983731 601276861 /nfs/dbraw/zinc/27/68/61/601276861.db2.gz FLTAXLVOJAPTMC-UHFFFAOYSA-N -1 0 342.439 3.559 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000237003826 601277130 /nfs/dbraw/zinc/27/71/30/601277130.db2.gz SWNWHQZLSXIXQO-SFHVURJKSA-N -1 0 341.407 3.509 20 0 EHADRM CCc1[nH]c(C(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)c(C)c1C(=O)[O-] ZINC000830183022 601279080 /nfs/dbraw/zinc/27/90/80/601279080.db2.gz ACFWAKFMABERPY-ZFWWWQNUSA-N -1 0 340.423 3.602 20 0 EHADRM CCC(CC)[C@@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1cccs1 ZINC000236680689 601279701 /nfs/dbraw/zinc/27/97/01/601279701.db2.gz AZRXSCMPWNESCZ-OAHLLOKOSA-N -1 0 332.425 3.749 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000776593993 601280584 /nfs/dbraw/zinc/28/05/84/601280584.db2.gz ZWYAPMXBRQBPOJ-DPCFLFMUSA-N -1 0 345.345 3.700 20 0 EHADRM Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)c(F)c1 ZINC000832911741 601287852 /nfs/dbraw/zinc/28/78/52/601287852.db2.gz VJFQKDCPZZXECZ-OAHLLOKOSA-N -1 0 335.762 3.733 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@@H](C)c1ccccc1C(F)(F)F ZINC000828776861 601305337 /nfs/dbraw/zinc/30/53/37/601305337.db2.gz WIEKHBJQGSUVDQ-NSHDSACASA-N -1 0 345.361 3.959 20 0 EHADRM Cc1cc(NC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)ccc1F ZINC000738245770 601311014 /nfs/dbraw/zinc/31/10/14/601311014.db2.gz ZIALUGBUDYHHMS-OAHLLOKOSA-N -1 0 334.322 3.611 20 0 EHADRM Cn1cc(NC(=O)c2ccccc2Oc2ccccc2)cc1C(=O)[O-] ZINC000833051315 601316969 /nfs/dbraw/zinc/31/69/69/601316969.db2.gz UBVUAQMFPSWWTD-UHFFFAOYSA-N -1 0 336.347 3.768 20 0 EHADRM Cn1cc(NC(=O)c2cc3c(cccc3Cl)s2)cc1C(=O)[O-] ZINC000833051156 601323216 /nfs/dbraw/zinc/32/32/16/601323216.db2.gz BFQPFVLSIZAJLJ-UHFFFAOYSA-N -1 0 334.784 3.844 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)NC[C@H]2SCCc3ccccc32)c1 ZINC000833289916 601326159 /nfs/dbraw/zinc/32/61/59/601326159.db2.gz LVUMLRKCSSGFAQ-MRXNPFEDSA-N -1 0 342.420 3.537 20 0 EHADRM Cc1nccn1-c1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)cc1 ZINC000083536597 601332148 /nfs/dbraw/zinc/33/21/48/601332148.db2.gz JNOBPOSLLLDKDA-NYYWCZLTSA-N -1 0 332.359 3.775 20 0 EHADRM Cc1ccc(NC(=S)N[C@@H]2CCc3ccccc3C2)cc1C(=O)[O-] ZINC000832948784 601339043 /nfs/dbraw/zinc/33/90/43/601339043.db2.gz DTMSYNFWJMVFEW-OAHLLOKOSA-N -1 0 340.448 3.537 20 0 EHADRM COc1cccc(-c2nc(CS[C@@H](C)C(=O)[O-])cs2)c1OC ZINC000739944184 601344509 /nfs/dbraw/zinc/34/45/09/601344509.db2.gz XEIAXTAQHADATD-VIFPVBQESA-N -1 0 339.438 3.534 20 0 EHADRM CN(Cc1ncc(-c2cccc(F)c2)o1)[C@H](C(=O)[O-])c1ccccc1 ZINC000830879264 601354474 /nfs/dbraw/zinc/35/44/74/601354474.db2.gz AXMBHUVVQYPZMK-SFHVURJKSA-N -1 0 340.354 3.738 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@H]1C[C@@H]1C1CC1)c1ccc(Cl)cc1Cl ZINC000833169559 601357684 /nfs/dbraw/zinc/35/76/84/601357684.db2.gz JVHNIGVONSZBSE-NTZNESFSSA-N -1 0 329.179 3.708 20 0 EHADRM O=C([O-])c1ccc(Cl)cc1OC(=O)c1occc1Br ZINC000833317278 601364288 /nfs/dbraw/zinc/36/42/88/601364288.db2.gz QTWBYSHWPXCVOW-UHFFFAOYSA-N -1 0 345.532 3.613 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cc2cc(F)ccc2o1)c1ccccc1 ZINC000237759066 601393282 /nfs/dbraw/zinc/39/32/82/601393282.db2.gz WHYDKZFXRLPTTN-DIFFPNOSSA-N -1 0 341.338 3.764 20 0 EHADRM C[C@@H](NC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)c1ccccc1 ZINC000827665256 601415645 /nfs/dbraw/zinc/41/56/45/601415645.db2.gz PPPUZTNKWFCGIT-WBMJQRKESA-N -1 0 346.814 3.916 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)NC3(CC(=O)[O-])CCC3)c(F)c2)cc1 ZINC000262483716 601433985 /nfs/dbraw/zinc/43/39/85/601433985.db2.gz DTMDXLHFEZGHRR-UHFFFAOYSA-N -1 0 341.382 3.928 20 0 EHADRM C[C@@H](CC(=O)NC1(CC(=O)[O-])CCC1)c1cccc(C(F)(F)F)c1 ZINC000262504255 601434737 /nfs/dbraw/zinc/43/47/37/601434737.db2.gz IWOPIMCCXLZLIM-NSHDSACASA-N -1 0 343.345 3.713 20 0 EHADRM O=C([O-])c1ccccc1NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000833111509 601439837 /nfs/dbraw/zinc/43/98/37/601439837.db2.gz FHGUPAYVRZXXMP-UHFFFAOYSA-N -1 0 339.178 3.742 20 0 EHADRM Cc1noc(C(F)(F)F)c1C(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC000833020399 601440609 /nfs/dbraw/zinc/44/06/09/601440609.db2.gz DXAOMPGYQWOZLP-UHFFFAOYSA-N -1 0 349.648 3.573 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)C[C@H](C)c1ccccc1C(F)(F)F ZINC000237102356 601460246 /nfs/dbraw/zinc/46/02/46/601460246.db2.gz SLKAYHFQZAKGLV-MEDUHNTESA-N -1 0 345.361 3.959 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000237015973 601464460 /nfs/dbraw/zinc/46/44/60/601464460.db2.gz GBMNSTBVQJBJRX-PSLIRLAXSA-N -1 0 348.226 3.520 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000829015137 601469269 /nfs/dbraw/zinc/46/92/69/601469269.db2.gz ZOCSJMKCULAOOY-GXTWGEPZSA-N -1 0 332.352 3.748 20 0 EHADRM O=C([O-])[C@H](OC(=O)C/C=C/c1cccc(F)c1)c1ccc(F)cc1 ZINC000833096434 601472293 /nfs/dbraw/zinc/47/22/93/601472293.db2.gz PTEGJQFAYMITNV-NKEDHYFDSA-N -1 0 332.302 3.737 20 0 EHADRM O=C([O-])[C@@H](OC(=O)C/C=C/c1cccc(F)c1)c1ccccc1F ZINC000833095950 601472397 /nfs/dbraw/zinc/47/23/97/601472397.db2.gz FAXCZCBFMSIYNF-YXMMZVCTSA-N -1 0 332.302 3.737 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=S)Nc1ccc(Cl)cc1Cl ZINC000828652306 601472435 /nfs/dbraw/zinc/47/24/35/601472435.db2.gz IDWXBSBKALLDQW-ZDUSSCGKSA-N -1 0 335.256 3.923 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)C[C@@H]1CCCc2ccccc21 ZINC000362663978 601472517 /nfs/dbraw/zinc/47/25/17/601472517.db2.gz LMSZTRUUTZLGGW-UWJYYQICSA-N -1 0 349.430 3.707 20 0 EHADRM Cc1cccnc1C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000832983365 601473760 /nfs/dbraw/zinc/47/37/60/601473760.db2.gz GANPZGJWHIYAME-CYBMUJFWSA-N -1 0 340.162 3.680 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000262484884 601475991 /nfs/dbraw/zinc/47/59/91/601475991.db2.gz FAYYSDMADXGJON-YWZLYKJASA-N -1 0 337.419 3.699 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)Cc1ccc2ccccc2c1 ZINC000362682821 601476838 /nfs/dbraw/zinc/47/68/38/601476838.db2.gz GYSACTHANCYNMY-OAQYLSRUSA-N -1 0 345.398 3.593 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000362671050 601496222 /nfs/dbraw/zinc/49/62/22/601496222.db2.gz KIYAJKLPSMLYJZ-IBGZPJMESA-N -1 0 346.386 3.506 20 0 EHADRM Cc1ccc(/C=C\CC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000832928535 601500588 /nfs/dbraw/zinc/50/05/88/601500588.db2.gz UCCKIIDOZMQOAH-LHRDXKRPSA-N -1 0 341.382 3.870 20 0 EHADRM Cc1ccc(Oc2ccccc2)c(NC(=O)CCCNC(=O)[O-])c1 ZINC000832953587 601505759 /nfs/dbraw/zinc/50/57/59/601505759.db2.gz QJESQRTXHDAOAV-UHFFFAOYSA-N -1 0 328.368 3.774 20 0 EHADRM C[C@@H]1C[C@@H](CC(=O)N(CCC(=O)[O-])Cc2ccncc2)CC(C)(C)C1 ZINC000828167445 601512336 /nfs/dbraw/zinc/51/23/36/601512336.db2.gz GTFUWCBXNMDNEF-WBVHZDCISA-N -1 0 346.471 3.737 20 0 EHADRM O=C([O-])c1sccc1NC(=O)c1ccc2ccc(Cl)cc2n1 ZINC000833162065 601529220 /nfs/dbraw/zinc/52/92/20/601529220.db2.gz RVGFNGSCUGKZHV-UHFFFAOYSA-N -1 0 332.768 3.900 20 0 EHADRM CC[C@H](NC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1)c1ccccc1 ZINC000828958041 601531977 /nfs/dbraw/zinc/53/19/77/601531977.db2.gz QFMGHWBIOQJHCQ-KRWDZBQOSA-N -1 0 341.407 3.648 20 0 EHADRM CN(CCCC(=O)N1CCCCC[C@@H]1/C=C/c1ccccc1)C(=O)[O-] ZINC000830759304 601544629 /nfs/dbraw/zinc/54/46/29/601544629.db2.gz PSMLUHXSULLZAI-KAUXGEHWSA-N -1 0 344.455 3.861 20 0 EHADRM O=C([O-])Cc1ccc(OCc2ncc(-c3cccc(F)c3)o2)cc1 ZINC000833267006 601577594 /nfs/dbraw/zinc/57/75/94/601577594.db2.gz JKMFYSHQXRPFMB-UHFFFAOYSA-N -1 0 327.311 3.687 20 0 EHADRM Cc1ccc2oc(C(=O)N[C@H](C(=O)[O-])c3ccc(Cl)cc3)cc2c1 ZINC000538465693 601583428 /nfs/dbraw/zinc/58/34/28/601583428.db2.gz MHCMMAVQZWJDRS-INIZCTEOSA-N -1 0 343.766 3.950 20 0 EHADRM CSc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000345799416 601585529 /nfs/dbraw/zinc/58/55/29/601585529.db2.gz ZHMOCPQNGTWQJC-AWEZNQCLSA-N -1 0 335.812 3.618 20 0 EHADRM O=C([O-])[C@H](NC(=O)CSc1cccc2cccc(Cl)c21)C1CC1 ZINC000833116320 601596430 /nfs/dbraw/zinc/59/64/30/601596430.db2.gz PUOKMUQCNHAAHD-MRXNPFEDSA-N -1 0 349.839 3.565 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)OCc2cc3c(cccc3Cl)[nH]2)C1 ZINC000833187023 601599787 /nfs/dbraw/zinc/59/97/87/601599787.db2.gz HZKWUUPRRUEZAL-QWRGUYRKSA-N -1 0 335.787 3.756 20 0 EHADRM CCCCOc1ccc(C(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000236676215 601611817 /nfs/dbraw/zinc/61/18/17/601611817.db2.gz YMPOIBKSSOLTME-UHFFFAOYSA-N -1 0 327.380 3.745 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NCC(=O)N(Cc1ccccc1)C(C)C ZINC000832915635 601612062 /nfs/dbraw/zinc/61/20/62/601612062.db2.gz MAFIXDHFZNGSQH-UHFFFAOYSA-N -1 0 340.423 3.542 20 0 EHADRM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818143729 601613477 /nfs/dbraw/zinc/61/34/77/601613477.db2.gz OQQYCZOKQCHDNM-HNNXBMFYSA-N -1 0 347.798 3.763 20 0 EHADRM CCc1ccc(NC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000830253994 601615021 /nfs/dbraw/zinc/61/50/21/601615021.db2.gz QQOOLKLSWPOWAX-DYVFJYSZSA-N -1 0 326.396 3.833 20 0 EHADRM CCc1cccc(NC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000830265917 601615131 /nfs/dbraw/zinc/61/51/31/601615131.db2.gz VRKBCAOQSBXHAU-GUYCJALGSA-N -1 0 326.396 3.833 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818143725 601615555 /nfs/dbraw/zinc/61/55/55/601615555.db2.gz OMOINTZVLNRCHK-KMFMINBZSA-N -1 0 333.428 3.626 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(F)cc1F)c1ccc(Cl)cc1 ZINC000013173743 601622193 /nfs/dbraw/zinc/62/21/93/601622193.db2.gz KRLOQHHDCVOYIM-AWEZNQCLSA-N -1 0 339.725 3.564 20 0 EHADRM CC(C)Sc1ccc(Cl)cc1NC(=O)NC[C@H](C)C(=O)[O-] ZINC000653537765 601623518 /nfs/dbraw/zinc/62/35/18/601623518.db2.gz FOORABAXYIVOBO-VIFPVBQESA-N -1 0 330.837 3.683 20 0 EHADRM COC(=O)c1ccc(COc2cc(Cl)ccc2C(=O)[O-])cc1F ZINC000831385329 601630965 /nfs/dbraw/zinc/63/09/65/601630965.db2.gz QXKQCDYKAWWLMN-UHFFFAOYSA-N -1 0 338.718 3.543 20 0 EHADRM CCOC(=O)Nc1ccc(OCc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000829865430 601635312 /nfs/dbraw/zinc/63/53/12/601635312.db2.gz CZFSHTCEVHFQAZ-UHFFFAOYSA-N -1 0 333.315 3.671 20 0 EHADRM CCCCC[C@@H](NC(=O)CCc1c[nH]c2cc(C)ccc12)C(=O)[O-] ZINC000829320953 601639159 /nfs/dbraw/zinc/63/91/59/601639159.db2.gz KHOOVOBNECDTFZ-MRXNPFEDSA-N -1 0 330.428 3.559 20 0 EHADRM C=Cc1cc(OC)c(OCc2cc(C(=O)[O-])sc2C)c(OC)c1 ZINC000825711040 601640099 /nfs/dbraw/zinc/64/00/99/601640099.db2.gz MKGPHVVHQCJTKX-UHFFFAOYSA-N -1 0 334.393 3.994 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCCc1ccc(F)c(F)c1)c1ccccc1 ZINC000238104061 601641871 /nfs/dbraw/zinc/64/18/71/601641871.db2.gz LSXIUUWHLMYJJZ-QGZVFWFLSA-N -1 0 347.361 3.620 20 0 EHADRM Cc1sc(NC(=O)Cc2c(F)cccc2F)c(C(=O)[O-])c1C ZINC000316597192 601644575 /nfs/dbraw/zinc/64/45/75/601644575.db2.gz UFEMYFJXCSQPAC-UHFFFAOYSA-N -1 0 325.336 3.523 20 0 EHADRM CCCCC[C@H](NC(=O)c1cccc(Oc2ccncc2)c1)C(=O)[O-] ZINC000829333648 601648395 /nfs/dbraw/zinc/64/83/95/601648395.db2.gz SAQZAGOLKUWOHZ-KRWDZBQOSA-N -1 0 342.395 3.637 20 0 EHADRM CC(C)C[C@@H](C)OCCC(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC000826764636 601650344 /nfs/dbraw/zinc/65/03/44/601650344.db2.gz XWRLQODKSXPKAX-LLVKDONJSA-N -1 0 328.792 3.785 20 0 EHADRM Cc1cc(NC(=O)CCc2cn(C)c3ccccc23)sc1C(=O)[O-] ZINC000832893841 601654189 /nfs/dbraw/zinc/65/41/89/601654189.db2.gz WWNYFJDDEVXING-UHFFFAOYSA-N -1 0 342.420 3.818 20 0 EHADRM CCC[C@@](C)(NC(=O)CCCc1csc2ccccc12)C(=O)[O-] ZINC000236947362 601661508 /nfs/dbraw/zinc/66/15/08/601661508.db2.gz YEFLOHSMNMKGNQ-GOSISDBHSA-N -1 0 333.453 3.984 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)CCCc1cc(Cl)sc1Cl ZINC000346027474 601669023 /nfs/dbraw/zinc/66/90/23/601669023.db2.gz OLDVNYQBKWQPJQ-UHFFFAOYSA-N -1 0 338.256 3.699 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)CCCc2ccc(F)c(F)c2)cc1 ZINC000238026933 601674976 /nfs/dbraw/zinc/67/49/76/601674976.db2.gz YXXMNUMRLVWMAO-UHFFFAOYSA-N -1 0 347.361 3.943 20 0 EHADRM Cc1nc(CC(C)C)c(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)s1 ZINC000191034961 601682810 /nfs/dbraw/zinc/68/28/10/601682810.db2.gz BTPRXTRKQFYBDY-UHFFFAOYSA-N -1 0 332.425 3.909 20 0 EHADRM Cc1cccc(CC2CN(C(=O)Nc3ccc(F)c(C(=O)[O-])c3)C2)c1 ZINC000832970030 601697273 /nfs/dbraw/zinc/69/72/73/601697273.db2.gz RVJXVXXVJCDPMG-UHFFFAOYSA-N -1 0 342.370 3.539 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N[C@H](C(=O)[O-])c3ccc(Cl)cc3)cc2c1 ZINC000538465907 601699343 /nfs/dbraw/zinc/69/93/43/601699343.db2.gz WZQOHWLEGCGPLJ-INIZCTEOSA-N -1 0 342.782 3.685 20 0 EHADRM CC(C)(CNC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)[O-] ZINC000126981052 601709741 /nfs/dbraw/zinc/70/97/41/601709741.db2.gz PZCMZRBPCJEARP-UHFFFAOYSA-N -1 0 329.780 3.534 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)C[C@H]1C(=O)[O-] ZINC000828392625 601713080 /nfs/dbraw/zinc/71/30/80/601713080.db2.gz AJWXAGWWAFWEQX-GXFFZTMASA-N -1 0 349.839 3.861 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3C[C@H](C)[C@H](C(=O)[O-])C3)c(F)c2)cc1 ZINC000832905813 601716792 /nfs/dbraw/zinc/71/67/92/601716792.db2.gz INFVXAQDCZSKKX-SUMWQHHRSA-N -1 0 341.382 3.594 20 0 EHADRM COc1ccc(F)c(NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])c1 ZINC000345795033 601726861 /nfs/dbraw/zinc/72/68/61/601726861.db2.gz IBNVJXBQRJGYOE-SNVBAGLBSA-N -1 0 349.383 3.652 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2ccccc2OC2CCC2)cc1F ZINC000833315917 601730228 /nfs/dbraw/zinc/73/02/28/601730228.db2.gz KVTOQOQVFKMMPR-UHFFFAOYSA-N -1 0 344.338 3.812 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cc3cc(F)ccc3o2)cc1F ZINC000833352567 601730231 /nfs/dbraw/zinc/73/02/31/601730231.db2.gz GQWLUBMWNYODDE-UHFFFAOYSA-N -1 0 332.258 3.766 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000825798741 601732637 /nfs/dbraw/zinc/73/26/37/601732637.db2.gz VXVWOAUGOYKYLB-FLIBITNWSA-N -1 0 332.302 3.810 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)c1ccccc1F ZINC000678987232 601735633 /nfs/dbraw/zinc/73/56/33/601735633.db2.gz IZCDSOXDHPFJKD-IIAWOOMASA-N -1 0 347.773 3.525 20 0 EHADRM C/C(=C\C(=O)Nc1nc(CCCC(=O)[O-])cs1)c1ccccc1 ZINC000825724223 601741919 /nfs/dbraw/zinc/74/19/19/601741919.db2.gz KKWSHEULPHIVKL-ZRDIBKRKSA-N -1 0 330.409 3.592 20 0 EHADRM O=C([O-])[C@H]1CCCCN1C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000540673029 601744639 /nfs/dbraw/zinc/74/46/39/601744639.db2.gz NCFFYWPAXXDXKN-GOSISDBHSA-N -1 0 340.423 3.516 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1csc2ccccc12)c1ccccc1F ZINC000678984785 601745346 /nfs/dbraw/zinc/74/53/46/601745346.db2.gz FRJAJUMNZSQRON-HNNXBMFYSA-N -1 0 329.352 3.596 20 0 EHADRM Cc1ccc(/C=C/CC(=O)Nc2nc(CCCC(=O)[O-])cs2)cc1 ZINC000832930659 601747186 /nfs/dbraw/zinc/74/71/86/601747186.db2.gz ZEJYDEJZONOEGL-DUXPYHPUSA-N -1 0 344.436 3.901 20 0 EHADRM O=C([O-])CCCc1csc(NC(=O)[C@H]2CCCc3ccccc32)n1 ZINC000391661286 601747454 /nfs/dbraw/zinc/74/74/54/601747454.db2.gz FGFWVXDPUHGIDV-HNNXBMFYSA-N -1 0 344.436 3.609 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(SC3CCCC3)cc2)C[C@@H]1C(=O)[O-] ZINC000828377992 601776644 /nfs/dbraw/zinc/77/66/44/601776644.db2.gz NTGZXFVJLULZJM-LRDDRELGSA-N -1 0 348.468 3.906 20 0 EHADRM Cc1ccc(NC(=O)N2C[C@H](C(=O)[O-])[C@H](C)C2)cc1OCCC(C)C ZINC000832944524 601795036 /nfs/dbraw/zinc/79/50/36/601795036.db2.gz GIEBZPFFZKYHQP-ZBFHGGJFSA-N -1 0 348.443 3.604 20 0 EHADRM COc1cccc([C@H](C)Cc2nc(-c3ccc(C(=O)[O-])cc3)no2)c1 ZINC000832533275 601799438 /nfs/dbraw/zinc/79/94/38/601799438.db2.gz KCVAPQALBJOTQX-GFCCVEGCSA-N -1 0 338.363 3.790 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)N[C@@H](CC(=O)[O-])c2cccs2)c1 ZINC000237304034 601801003 /nfs/dbraw/zinc/80/10/03/601801003.db2.gz WIDNRFQNWLZHOC-WFASDCNBSA-N -1 0 347.436 3.583 20 0 EHADRM Cc1cc(CCCC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)c(C)s1 ZINC000776620064 601803704 /nfs/dbraw/zinc/80/37/04/601803704.db2.gz DXBYCHXEKLRHEG-SFHVURJKSA-N -1 0 345.464 3.972 20 0 EHADRM O=C([O-])CN(C(=O)c1cc2cccc(Cl)c2o1)c1cccc(F)c1 ZINC000833245399 601805817 /nfs/dbraw/zinc/80/58/17/601805817.db2.gz QVQUNKIJJLDZBX-UHFFFAOYSA-N -1 0 347.729 3.957 20 0 EHADRM CC(C)CCO[C@H](C)C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000826855122 601807789 /nfs/dbraw/zinc/80/77/89/601807789.db2.gz CHEANQPYVWLVJI-SNVBAGLBSA-N -1 0 325.430 3.713 20 0 EHADRM Cc1ccc(OCC(=O)Nc2scc(C3CC3)c2C(=O)[O-])cc1 ZINC000832951729 601807911 /nfs/dbraw/zinc/80/79/11/601807911.db2.gz VMYMMUVIRMIVBE-UHFFFAOYSA-N -1 0 331.393 3.650 20 0 EHADRM COc1ccc(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])cc1OC ZINC000832178748 601809080 /nfs/dbraw/zinc/80/90/80/601809080.db2.gz MHZRFFAENVREFH-UHFFFAOYSA-N -1 0 347.392 3.593 20 0 EHADRM C[C@H]1CCC[C@@H](CCSCc2noc(CCCC(=O)[O-])n2)C1 ZINC000828238931 601812880 /nfs/dbraw/zinc/81/28/80/601812880.db2.gz LQPLPOYIOKJMJH-STQMWFEESA-N -1 0 326.462 3.927 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1cc2cccc(Cl)c2o1)c1ccccc1 ZINC000833132474 601813412 /nfs/dbraw/zinc/81/34/12/601813412.db2.gz CDXSMWDXRJKZAH-CYBMUJFWSA-N -1 0 343.766 3.684 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2cnc(-c3ccccc3)s2)CC1 ZINC000537480392 601814658 /nfs/dbraw/zinc/81/46/58/601814658.db2.gz AGIMATVDRFWXEP-UHFFFAOYSA-N -1 0 344.436 3.527 20 0 EHADRM CC(=O)c1ccc(Br)cc1OCc1occc1C(=O)[O-] ZINC000825946792 601817154 /nfs/dbraw/zinc/81/71/54/601817154.db2.gz QHXMOCVOEUXFFB-UHFFFAOYSA-N -1 0 339.141 3.522 20 0 EHADRM Cc1ccc(CCC(=O)N2CCC(CCC(=O)[O-])CC2)cc1Cl ZINC000320415958 601818225 /nfs/dbraw/zinc/81/82/25/601818225.db2.gz RNDSWOWBLYULDV-UHFFFAOYSA-N -1 0 337.847 3.684 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)N2CCC(CCC(=O)[O-])CC2)c(C)c1 ZINC000659397223 601826957 /nfs/dbraw/zinc/82/69/57/601826957.db2.gz WIVMKDMUIXNZDK-INIZCTEOSA-N -1 0 346.471 3.521 20 0 EHADRM O=C([O-])c1sccc1CN1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000568064353 601827637 /nfs/dbraw/zinc/82/76/37/601827637.db2.gz BNYPXHWRKQFNLA-UHFFFAOYSA-N -1 0 347.280 3.763 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NCc1nc(C(C)(C)C)cs1 ZINC000832901202 601829412 /nfs/dbraw/zinc/82/94/12/601829412.db2.gz ZABLZUVWKCAGIA-UHFFFAOYSA-N -1 0 334.441 3.825 20 0 EHADRM Cc1sc2nc(C)nc(N3CCC(CCC(=O)[O-])CC3)c2c1C ZINC000323608694 601829784 /nfs/dbraw/zinc/82/97/84/601829784.db2.gz JZUKDOHQJXJMDI-UHFFFAOYSA-N -1 0 333.457 3.698 20 0 EHADRM Cc1cc(C)c(NC(=O)CNc2cc(F)c(F)cc2C(=O)[O-])c(C)c1 ZINC000832875089 601830427 /nfs/dbraw/zinc/83/04/27/601830427.db2.gz UGDSZSKRJXYQEK-UHFFFAOYSA-N -1 0 348.349 3.639 20 0 EHADRM Cc1ccc(NC(=O)CSCc2ccc(C(=O)[O-])s2)c(F)c1 ZINC000832943811 601847313 /nfs/dbraw/zinc/84/73/13/601847313.db2.gz KAPLNPRPRJHUHM-UHFFFAOYSA-N -1 0 339.413 3.766 20 0 EHADRM O=C([O-])c1ccc(CSCC(=O)Nc2cc(F)ccc2F)s1 ZINC000833115773 601847434 /nfs/dbraw/zinc/84/74/34/601847434.db2.gz HIUCVFKCVFZQEI-UHFFFAOYSA-N -1 0 343.376 3.596 20 0 EHADRM O=C([O-])c1ccc(CSCCC(=O)Nc2cccc(F)c2)s1 ZINC000833100452 601847450 /nfs/dbraw/zinc/84/74/50/601847450.db2.gz BCCUNFVBEPVVLI-UHFFFAOYSA-N -1 0 339.413 3.847 20 0 EHADRM CC[C@@H](NC(=O)NCc1cccc(C(=O)[O-])c1)c1ccc(C)cc1 ZINC000666513315 601848553 /nfs/dbraw/zinc/84/85/53/601848553.db2.gz HBBVEVBDDZMSFO-QGZVFWFLSA-N -1 0 326.396 3.644 20 0 EHADRM Cc1oc(CN(C)C(=O)c2cc(C)c(F)cc2Cl)cc1C(=O)[O-] ZINC000346029264 601856284 /nfs/dbraw/zinc/85/62/84/601856284.db2.gz QWKGSGMODGDRPB-UHFFFAOYSA-N -1 0 339.750 3.659 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(c2nc3ccccc3c(-c3ccccc3)n2)C1 ZINC000263434648 601864862 /nfs/dbraw/zinc/86/48/62/601864862.db2.gz UTHDXZBAJDARBN-FQEVSTJZSA-N -1 0 333.391 3.598 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)NCc2cccc(C(=O)[O-])c2)cc1C ZINC000666551978 601865469 /nfs/dbraw/zinc/86/54/69/601865469.db2.gz QUKZZWUUDNYGKS-AWEZNQCLSA-N -1 0 326.396 3.562 20 0 EHADRM Cc1cc(F)c(C(=O)N(CCC(=O)[O-])c2cccc(F)c2)cc1F ZINC000832887054 601867533 /nfs/dbraw/zinc/86/75/33/601867533.db2.gz VHDXGURWGSWVEC-UHFFFAOYSA-N -1 0 337.297 3.534 20 0 EHADRM CC[C@H](C(=O)Oc1ccc(SCC(=O)[O-])cc1)c1ccccc1 ZINC000828604318 601873381 /nfs/dbraw/zinc/87/33/81/601873381.db2.gz ZYARELUVBDTNKU-INIZCTEOSA-N -1 0 330.405 3.963 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)Nc1ccc(F)cc1F ZINC000833156133 601884144 /nfs/dbraw/zinc/88/41/44/601884144.db2.gz BUOOAEUWMHZTSE-DGCLKSJQSA-N -1 0 326.343 3.510 20 0 EHADRM C[C@@H]1CN(Cc2ccc(F)cc2C(=O)[O-])C[C@H](c2ccsc2)O1 ZINC000828457409 601885148 /nfs/dbraw/zinc/88/51/48/601885148.db2.gz UDZQKEYKZDKQLH-BDJLRTHQSA-N -1 0 335.400 3.547 20 0 EHADRM C[C@@H](SCC(=O)[O-])c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000827901807 601891238 /nfs/dbraw/zinc/89/12/38/601891238.db2.gz AHIRIFXZWPURFU-ZCFIWIBFSA-N -1 0 333.196 3.922 20 0 EHADRM CC(C)CNc1nnc(SCc2ccc(C(=O)[O-])s2)s1 ZINC000826891613 601891259 /nfs/dbraw/zinc/89/12/59/601891259.db2.gz UQEIJXGIDWBUSK-UHFFFAOYSA-N -1 0 329.472 3.658 20 0 EHADRM CN(Cc1cccc(F)c1F)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830845381 601903359 /nfs/dbraw/zinc/90/33/59/601903359.db2.gz VUVIKAXNJULNAR-HNNXBMFYSA-N -1 0 345.267 3.640 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)c1cccc(C(F)F)c1 ZINC000263534219 601903943 /nfs/dbraw/zinc/90/39/43/601903943.db2.gz NTZNNSCAKUEARU-UONOGXRCSA-N -1 0 325.355 3.778 20 0 EHADRM O=C([O-])NC1CCC(C(=O)N(Cc2ccccc2)CC2CCC2)CC1 ZINC000740551225 601905376 /nfs/dbraw/zinc/90/53/76/601905376.db2.gz PLDZKDLWPPUMES-UHFFFAOYSA-N -1 0 344.455 3.642 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)c1nc(Cl)ccc1Cl ZINC000833130661 601915949 /nfs/dbraw/zinc/91/59/49/601915949.db2.gz UKFXTYGNPALCII-ONGXEEELSA-N -1 0 345.226 3.542 20 0 EHADRM O=C([O-])NCCc1ccc(CNc2nccc3sccc32)cc1 ZINC000740671992 601922655 /nfs/dbraw/zinc/92/26/55/601922655.db2.gz XGHHBTZGMAFYMB-UHFFFAOYSA-N -1 0 327.409 3.719 20 0 EHADRM Cc1ccc(SCCC(=O)NCc2cccc(C(=O)[O-])c2)cc1C ZINC000237769078 601927877 /nfs/dbraw/zinc/92/78/77/601927877.db2.gz CKALFFQLBMBJCW-UHFFFAOYSA-N -1 0 343.448 3.800 20 0 EHADRM CCC[C@@H](NC(=O)[O-])C(=O)Nc1ccccc1SC(F)(F)F ZINC000739324857 601952309 /nfs/dbraw/zinc/95/23/09/601952309.db2.gz FKLKNALLKXSKNC-SECBINFHSA-N -1 0 336.335 3.673 20 0 EHADRM Cc1csc(-c2ccc(NC(=O)C3(NC(=O)[O-])CCCC3)cc2)n1 ZINC000740201552 601961003 /nfs/dbraw/zinc/96/10/03/601961003.db2.gz SXVUCGMCLIPJBS-UHFFFAOYSA-N -1 0 345.424 3.637 20 0 EHADRM Cc1ccc(-c2ccncc2)cc1NC(=O)CCN(C(=O)[O-])C(C)C ZINC000740093891 601964172 /nfs/dbraw/zinc/96/41/72/601964172.db2.gz BOLBAUCVIOHVJT-UHFFFAOYSA-N -1 0 341.411 3.774 20 0 EHADRM CC[C@@H](C)c1ccc(NC(=O)CNc2cccc(CC(=O)[O-])c2)cc1 ZINC000737788349 601965826 /nfs/dbraw/zinc/96/58/26/601965826.db2.gz FOWIUVKVIBHDKG-CQSZACIVSA-N -1 0 340.423 3.878 20 0 EHADRM CCC(C)(C)CC(=O)N(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000828603484 601998145 /nfs/dbraw/zinc/99/81/45/601998145.db2.gz JYTDYUTUYLZYLM-CQSZACIVSA-N -1 0 331.334 3.514 20 0 EHADRM CC(C)C[C@H](C)CC(=O)N(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000826759579 601998697 /nfs/dbraw/zinc/99/86/97/601998697.db2.gz JAAAFJQYLYIZJT-MGPLVRAMSA-N -1 0 345.361 3.760 20 0 EHADRM C[C@@H](Oc1cccc(Cl)c1)C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000827895300 602000665 /nfs/dbraw/zinc/00/06/65/602000665.db2.gz HOUXHPKCRXBFJH-SECBINFHSA-N -1 0 340.784 3.610 20 0 EHADRM O=C([O-])c1ccc(COC(=O)CCOc2ccc(Cl)cc2)s1 ZINC000833103042 602004144 /nfs/dbraw/zinc/00/41/44/602004144.db2.gz LDENVJGZZSSTLS-UHFFFAOYSA-N -1 0 340.784 3.612 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1cc(F)c(C)cc1F ZINC000832887219 602014118 /nfs/dbraw/zinc/01/41/18/602014118.db2.gz IUMUQYUVANAZRI-UHFFFAOYSA-N -1 0 326.320 3.698 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)c2cccc(Cl)c2F)cc1 ZINC000833287936 602016118 /nfs/dbraw/zinc/01/61/18/602016118.db2.gz RHLWVTVZHQAAFV-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC000238108406 602021920 /nfs/dbraw/zinc/02/19/20/602021920.db2.gz ATODKMJMVOUXOA-UHFFFAOYSA-N -1 0 336.819 3.976 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cccc(Cl)c1F)c1ccccc1 ZINC000826044548 602024718 /nfs/dbraw/zinc/02/47/18/602024718.db2.gz IDVPYQZQWJAZMR-BMIGLBTASA-N -1 0 335.762 3.671 20 0 EHADRM Cn1cc(C(=O)Nc2cc(NC(=O)[O-])ccc2F)c2ccccc21 ZINC000740284242 602027020 /nfs/dbraw/zinc/02/70/20/602027020.db2.gz MLVCGKIUUJQANK-UHFFFAOYSA-N -1 0 327.315 3.660 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC000823841468 602029555 /nfs/dbraw/zinc/02/95/55/602029555.db2.gz DTAYLUCMNKCKBG-LJQANCHMSA-N -1 0 343.354 3.555 20 0 EHADRM CCSCc1cccc(NC(=O)NCc2cccc(C(=O)[O-])c2)c1 ZINC000830169798 602043415 /nfs/dbraw/zinc/04/34/15/602043415.db2.gz YPTBYMSMKSOHIF-UHFFFAOYSA-N -1 0 344.436 3.960 20 0 EHADRM C[C@H](NC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000263124200 602056036 /nfs/dbraw/zinc/05/60/36/602056036.db2.gz YGIIRGSMMXAJMA-BJOHPYRUSA-N -1 0 345.226 3.561 20 0 EHADRM Cc1cc(Br)c2ccccc2c1NC(=O)CCC(=O)[O-] ZINC000338198273 602059177 /nfs/dbraw/zinc/05/91/77/602059177.db2.gz GLILAFAVFXTAFV-UHFFFAOYSA-N -1 0 336.185 3.714 20 0 EHADRM C[C@H](NC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1cc(Cl)ccc1Cl ZINC000263098906 602065780 /nfs/dbraw/zinc/06/57/80/602065780.db2.gz WGJIUOGUNRZQQG-VFZGTOFNSA-N -1 0 345.226 3.561 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000325209592 602066420 /nfs/dbraw/zinc/06/64/20/602066420.db2.gz IIEXALDRVOWCEI-UHFFFAOYSA-N -1 0 341.260 3.724 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)c1 ZINC000238147967 602067389 /nfs/dbraw/zinc/06/73/89/602067389.db2.gz BOZXMEVEYPSVTB-GHTZIAJQSA-N -1 0 335.403 3.546 20 0 EHADRM Cc1ccc(CCCCC(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000263168622 602071525 /nfs/dbraw/zinc/07/15/25/602071525.db2.gz QVRZLNGGVSISEX-UHFFFAOYSA-N -1 0 325.408 3.974 20 0 EHADRM C[C@@H](NC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1cccc(Cl)c1Cl ZINC000263261096 602081905 /nfs/dbraw/zinc/08/19/05/602081905.db2.gz QHYDDOAWIYLSQZ-RFAUZJTJSA-N -1 0 345.226 3.561 20 0 EHADRM COc1ccc(Cl)cc1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000390978732 602083989 /nfs/dbraw/zinc/08/39/89/602083989.db2.gz RSMWDGSBIGETNJ-UHFFFAOYSA-N -1 0 334.759 3.620 20 0 EHADRM CC[C@@H]1CC[C@H](C(=O)O[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)O1 ZINC000829082246 602089093 /nfs/dbraw/zinc/08/90/93/602089093.db2.gz SXEKFHJWJUEIAP-JHJVBQTASA-N -1 0 347.194 3.620 20 0 EHADRM CSCCc1ccc(NC(=O)c2ccc(NC(=O)[O-])cc2)cc1 ZINC000738147401 602099081 /nfs/dbraw/zinc/09/90/81/602099081.db2.gz WOADNPCKNWHTJJ-UHFFFAOYSA-N -1 0 330.409 3.934 20 0 EHADRM C[C@@H](CC(=O)[O-])c1nc(-c2cccnc2Oc2ccccc2)no1 ZINC000827392171 602102920 /nfs/dbraw/zinc/10/29/20/602102920.db2.gz UNUPBWAJVYNEAU-NSHDSACASA-N -1 0 325.324 3.502 20 0 EHADRM Cc1ccc(-c2csc(Cc3noc([C@H](C)CC(=O)[O-])n3)n2)cc1 ZINC000832907072 602105033 /nfs/dbraw/zinc/10/50/33/602105033.db2.gz LRZNLNRFIQNBBL-LLVKDONJSA-N -1 0 343.408 3.671 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000827874346 602123004 /nfs/dbraw/zinc/12/30/04/602123004.db2.gz YRBBGFDZVOQNFX-ZDUSSCGKSA-N -1 0 334.416 3.867 20 0 EHADRM CCc1oc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])cc1C ZINC000190669229 602133681 /nfs/dbraw/zinc/13/36/81/602133681.db2.gz HVFVLTGAAOIRBC-CQSZACIVSA-N -1 0 329.396 3.514 20 0 EHADRM CC[C@](C)(NC(=O)c1cc(SC)c(Cl)cc1Cl)C(=O)[O-] ZINC000262077795 602133712 /nfs/dbraw/zinc/13/37/12/602133712.db2.gz DSAKMRLOOHRUOY-ZDUSSCGKSA-N -1 0 336.240 3.698 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)c1cc(C(F)(F)F)ccc1F ZINC000325424509 602138963 /nfs/dbraw/zinc/13/89/63/602138963.db2.gz XGYSXUCEAPSPDG-UHFFFAOYSA-N -1 0 345.223 3.934 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000181653777 602140149 /nfs/dbraw/zinc/14/01/49/602140149.db2.gz FVRWLQSYJOGVCB-CRAIPNDOSA-N -1 0 347.455 3.837 20 0 EHADRM CC(C)[C@H]1c2ccccc2CCN1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000666555432 602145057 /nfs/dbraw/zinc/14/50/57/602145057.db2.gz DVEDDYKZNFTXPG-HTWSVDAQSA-N -1 0 344.455 3.595 20 0 EHADRM CCS[C@H](C)c1noc(CNc2ccc(F)c(NC(=O)[O-])c2)n1 ZINC000830149050 602161902 /nfs/dbraw/zinc/16/19/02/602161902.db2.gz COWLDZARRXVSMA-MRVPVSSYSA-N -1 0 340.380 3.725 20 0 EHADRM Cc1ccc2ccccc2c1CNc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000832960966 602162407 /nfs/dbraw/zinc/16/24/07/602162407.db2.gz WOSXLPHBHCSJOT-UHFFFAOYSA-N -1 0 348.402 3.575 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc2sccc2c1)c1ccccc1F ZINC000678991292 602169747 /nfs/dbraw/zinc/16/97/47/602169747.db2.gz ZKHKLVCFABKODI-HNNXBMFYSA-N -1 0 329.352 3.596 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)c2cccc3c2ccn3C)c1 ZINC000739917848 602171824 /nfs/dbraw/zinc/17/18/24/602171824.db2.gz OEHKBCFRNGQGGE-UHFFFAOYSA-N -1 0 339.351 3.529 20 0 EHADRM CC(C)(C)c1nc(CC(=O)Nc2ccccc2NC(=O)[O-])cs1 ZINC000738728992 602174133 /nfs/dbraw/zinc/17/41/33/602174133.db2.gz UXHXKSWHXRPXCM-UHFFFAOYSA-N -1 0 333.413 3.712 20 0 EHADRM COc1cccc2cc(C(=O)Nc3ccccc3NC(=O)[O-])oc21 ZINC000739960097 602175265 /nfs/dbraw/zinc/17/52/65/602175265.db2.gz QBTWBSXMLMESOO-UHFFFAOYSA-N -1 0 326.308 3.784 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)CCCn1cnc2ccccc21 ZINC000740714194 602175816 /nfs/dbraw/zinc/17/58/16/602175816.db2.gz LSHVXHBEOWEWGL-UHFFFAOYSA-N -1 0 338.367 3.545 20 0 EHADRM COCc1c2ccccc2oc1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000584030595 602179661 /nfs/dbraw/zinc/17/96/61/602179661.db2.gz ACVOHMSZTQZLBK-UHFFFAOYSA-N -1 0 331.349 3.591 20 0 EHADRM Cc1ccc(Cl)c(OCC(=O)Nc2ccccc2NC(=O)[O-])c1 ZINC000740131033 602180046 /nfs/dbraw/zinc/18/00/46/602180046.db2.gz AAKKHWDEMRYMRD-UHFFFAOYSA-N -1 0 334.759 3.756 20 0 EHADRM CC(C)COc1ccc(CC(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000191382970 602182435 /nfs/dbraw/zinc/18/24/35/602182435.db2.gz KTHAKYMJAXJKFP-UHFFFAOYSA-N -1 0 333.409 3.662 20 0 EHADRM Cc1ccc(Br)cc1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000191342103 602189874 /nfs/dbraw/zinc/18/98/74/602189874.db2.gz ZQYDJMHMKUSZBN-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM CC[C@]1(C)CCN(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC000829050636 602193372 /nfs/dbraw/zinc/19/33/72/602193372.db2.gz UWRXIROFWIGZOX-LJQANCHMSA-N -1 0 345.443 3.639 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N1CCc2c(Cl)cc(Cl)cc2[C@@H]1C ZINC000827263721 602203572 /nfs/dbraw/zinc/20/35/72/602203572.db2.gz SVYOURWNULHTEV-BDAKNGLRSA-N -1 0 330.211 3.550 20 0 EHADRM CC(C)c1nc(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])cs1 ZINC000738877894 602237246 /nfs/dbraw/zinc/23/72/46/602237246.db2.gz CYGVTMBFELHJQP-UHFFFAOYSA-N -1 0 331.397 3.559 20 0 EHADRM CCC[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(F)cc1F ZINC000245728243 602240617 /nfs/dbraw/zinc/24/06/17/602240617.db2.gz PUGYZRZKNNJIAB-OZVIIMIRSA-N -1 0 339.382 3.813 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)/C=C\c3cccc(F)c3)ccc21 ZINC000740346510 602241842 /nfs/dbraw/zinc/24/18/42/602241842.db2.gz JSJDLVHUZAZHIS-DAXSKMNVSA-N -1 0 326.327 3.518 20 0 EHADRM CSCc1ccc(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])cc1 ZINC000740015232 602242928 /nfs/dbraw/zinc/24/29/28/602242928.db2.gz YHBIIQANLSTVCI-UHFFFAOYSA-N -1 0 342.420 3.842 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)Cc3ccccc3Cl)ccc21 ZINC000740384637 602243177 /nfs/dbraw/zinc/24/31/77/602243177.db2.gz OXCKMGYTSOLWEM-UHFFFAOYSA-N -1 0 330.771 3.562 20 0 EHADRM Cn1c(SCc2cc(C(=O)[O-])co2)nnc1-c1cccc(Cl)c1 ZINC000833039311 602243684 /nfs/dbraw/zinc/24/36/84/602243684.db2.gz GVZATEZDKZORPK-UHFFFAOYSA-N -1 0 349.799 3.719 20 0 EHADRM O=C([O-])N1CCN(C(=O)c2ccc(F)cc2Cl)c2ccccc2C1 ZINC000740526347 602246984 /nfs/dbraw/zinc/24/69/84/602246984.db2.gz KTIGIOOZZJBHTB-UHFFFAOYSA-N -1 0 348.761 3.620 20 0 EHADRM CC[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000739247987 602252547 /nfs/dbraw/zinc/25/25/47/602252547.db2.gz ZRELXSNCGAJGTJ-OAHLLOKOSA-N -1 0 340.423 3.895 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000829009822 602271462 /nfs/dbraw/zinc/27/14/62/602271462.db2.gz RWUUSFZPXWJVRI-MRXNPFEDSA-N -1 0 338.375 3.695 20 0 EHADRM CCC1(CNC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CCCC1 ZINC000323118261 602274704 /nfs/dbraw/zinc/27/47/04/602274704.db2.gz ZSUNBXPPZNTSHR-UHFFFAOYSA-N -1 0 326.343 3.755 20 0 EHADRM C[C@@H](Cc1ccsc1)NC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000738948401 602276612 /nfs/dbraw/zinc/27/66/12/602276612.db2.gz ZAPRZTTZBFRZRA-NSHDSACASA-N -1 0 345.424 3.541 20 0 EHADRM CC(C)CN(CC(C)C)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000738818528 602277483 /nfs/dbraw/zinc/27/74/83/602277483.db2.gz BDHMOXSZVMRBLD-UHFFFAOYSA-N -1 0 333.432 3.873 20 0 EHADRM CC1(C)C[C@@H](NC(=O)NCCCCCCC(=O)[O-])c2ccccc2O1 ZINC000828056028 602277723 /nfs/dbraw/zinc/27/77/23/602277723.db2.gz NAVJDQARMURMNK-OAHLLOKOSA-N -1 0 348.443 3.623 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)N[C@H]3CCCc4occc43)ccc21 ZINC000740468628 602279323 /nfs/dbraw/zinc/27/93/23/602279323.db2.gz ANBIJBKWKFYOLP-AWEZNQCLSA-N -1 0 341.367 3.519 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc(-c3ccc(F)cc3)on2)ccc1F ZINC000833156185 602310021 /nfs/dbraw/zinc/31/00/21/602310021.db2.gz COPBPVNSCZUAJX-UHFFFAOYSA-N -1 0 344.273 3.570 20 0 EHADRM CN(CC(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1)C(=O)[O-] ZINC000739626737 602326468 /nfs/dbraw/zinc/32/64/68/602326468.db2.gz JDUUCVFWEWYWKS-UHFFFAOYSA-N -1 0 347.802 3.500 20 0 EHADRM COc1cccc(-c2nc(CN(CC(=O)[O-])C3CCCC3)cs2)c1 ZINC000566865176 602333576 /nfs/dbraw/zinc/33/35/76/602333576.db2.gz VKLIESGCFMJBCC-UHFFFAOYSA-N -1 0 346.452 3.648 20 0 EHADRM O=C([O-])CN(Cc1ncc(-c2ccc(Cl)cc2)o1)C1CCCC1 ZINC000319853284 602337161 /nfs/dbraw/zinc/33/71/61/602337161.db2.gz TZWYTZLLXYAKNF-UHFFFAOYSA-N -1 0 334.803 3.824 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000767200957 602358532 /nfs/dbraw/zinc/35/85/32/602358532.db2.gz JVUZGGHZJTXICY-GFCCVEGCSA-N -1 0 345.370 3.740 20 0 EHADRM CC[C@H](NC(=O)Nc1cc(C(=O)[O-])n(C)c1)c1ccc(Cl)cc1 ZINC000828951381 602365083 /nfs/dbraw/zinc/36/50/83/602365083.db2.gz MFGMONXVFGYDEQ-ZDUSSCGKSA-N -1 0 335.791 3.650 20 0 EHADRM CCN(c1ccc(NC(=O)C2CCC(NC(=O)[O-])CC2)cc1)C(C)C ZINC000739452755 602366677 /nfs/dbraw/zinc/36/66/77/602366677.db2.gz WUGPYINZRAGYRN-UHFFFAOYSA-N -1 0 347.459 3.686 20 0 EHADRM CN(c1ccccc1NC(=O)NC1(CC(=O)[O-])CCC1)C1CCCC1 ZINC000649540860 602368845 /nfs/dbraw/zinc/36/88/45/602368845.db2.gz ITDYBLZEHMHRSN-UHFFFAOYSA-N -1 0 345.443 3.584 20 0 EHADRM Cn1cc(NC(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC000833052072 602371978 /nfs/dbraw/zinc/37/19/78/602371978.db2.gz UYUMTBCWBFYYHM-CVEARBPZSA-N -1 0 341.411 3.571 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000828149463 602373012 /nfs/dbraw/zinc/37/30/12/602373012.db2.gz JTRVNALQYORXTE-WFASDCNBSA-N -1 0 342.370 3.934 20 0 EHADRM Cc1ccc(CN(C(=O)Nc2cc(C(=O)[O-])n(C)c2)C(C)C)s1 ZINC000832932163 602373991 /nfs/dbraw/zinc/37/39/91/602373991.db2.gz LXYPITBYEPTQHV-UHFFFAOYSA-N -1 0 335.429 3.536 20 0 EHADRM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)C1CCC(NC(=O)[O-])CC1 ZINC000739057641 602381373 /nfs/dbraw/zinc/38/13/73/602381373.db2.gz MDNQZTYTLLXTTN-BZUNDVKYSA-N -1 0 338.835 3.686 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCC(C3CCCC3)CC2)cc1F ZINC000833319625 602391099 /nfs/dbraw/zinc/39/10/99/602391099.db2.gz MCOWFEQXJANHTB-UHFFFAOYSA-N -1 0 334.391 3.958 20 0 EHADRM Cc1nc(-c2ccccc2)sc1C(=O)N(CC(=O)[O-])C1CCCC1 ZINC000621573889 602398517 /nfs/dbraw/zinc/39/85/17/602398517.db2.gz UHOQYYHVWHTZQO-UHFFFAOYSA-N -1 0 344.436 3.588 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc2c(c1)Cc1ccccc1-2)C1CCCC1 ZINC000833246077 602399315 /nfs/dbraw/zinc/39/93/15/602399315.db2.gz VNGPEYQAQCEPGQ-UHFFFAOYSA-N -1 0 335.403 3.727 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc(-c2ccccc2F)o1)C1CCCC1 ZINC000621573748 602400686 /nfs/dbraw/zinc/40/06/86/602400686.db2.gz LXPVQELATXZZIS-UHFFFAOYSA-N -1 0 331.343 3.555 20 0 EHADRM O=C([O-])N[C@H](CCc1nc(-c2ccc(F)cc2)no1)c1ccccc1 ZINC000740538590 602405427 /nfs/dbraw/zinc/40/54/27/602405427.db2.gz GKMNIZHHRFHMMF-OAHLLOKOSA-N -1 0 341.342 3.817 20 0 EHADRM CC(C)[C@@H](CC(=O)N1CCC([C@@H](C)NC(=O)[O-])CC1)c1ccccc1 ZINC000738772237 602406224 /nfs/dbraw/zinc/40/62/24/602406224.db2.gz DLYOUZKSGJBMAN-CRAIPNDOSA-N -1 0 346.471 3.711 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(-c2cn(C)c3ccccc23)n1 ZINC000738816905 602406807 /nfs/dbraw/zinc/40/68/07/602406807.db2.gz NHEDEJCIQWMZPF-ZDUSSCGKSA-N -1 0 328.372 3.583 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(-c2ccc(F)cc2Cl)n1 ZINC000738817739 602408961 /nfs/dbraw/zinc/40/89/61/602408961.db2.gz UGXKSXKYZNRXIZ-LLVKDONJSA-N -1 0 327.743 3.884 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(-c2cc(Cl)ccc2F)n1 ZINC000738816503 602409021 /nfs/dbraw/zinc/40/90/21/602409021.db2.gz LAQAGFMPJDAGAL-NSHDSACASA-N -1 0 327.743 3.884 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(Cc2ccc3c(c2)CCC3)n1 ZINC000738819053 602410932 /nfs/dbraw/zinc/41/09/32/602410932.db2.gz FZRJXQDYRXFNJC-OAHLLOKOSA-N -1 0 329.400 3.504 20 0 EHADRM Cc1ccc(O[C@@H](C)c2nc(C3(NC(=O)[O-])CCCC3)no2)cc1 ZINC000740145156 602414146 /nfs/dbraw/zinc/41/41/46/602414146.db2.gz WXLMYLYCCGFQAQ-LBPRGKRZSA-N -1 0 331.372 3.555 20 0 EHADRM CC[C@H](C)c1ccccc1OCc1nc(C2(NC(=O)[O-])CCC2)no1 ZINC000739251506 602415648 /nfs/dbraw/zinc/41/56/48/602415648.db2.gz ZPNDALVFENYTFS-LBPRGKRZSA-N -1 0 345.399 3.809 20 0 EHADRM CC[C@@H](C)c1ccccc1OCc1nc(C2(NC(=O)[O-])CCC2)no1 ZINC000739251505 602415717 /nfs/dbraw/zinc/41/57/17/602415717.db2.gz ZPNDALVFENYTFS-GFCCVEGCSA-N -1 0 345.399 3.809 20 0 EHADRM O=C([O-])N1CCC(CC(=O)Nc2cccc(NC3CCCC3)c2)CC1 ZINC000740348504 602436210 /nfs/dbraw/zinc/43/62/10/602436210.db2.gz CTNZEHYXZFPXKJ-UHFFFAOYSA-N -1 0 345.443 3.760 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)N1CCC[C@@H](CN(C)C(=O)[O-])C1)c1ccccc1 ZINC000739227223 602450616 /nfs/dbraw/zinc/45/06/16/602450616.db2.gz RRWFNSATOADTCA-XYJFISCASA-N -1 0 346.471 3.665 20 0 EHADRM Cc1ccc(F)cc1NC(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000740129187 602454250 /nfs/dbraw/zinc/45/42/50/602454250.db2.gz FMMIVBNEAHCCAF-OAHLLOKOSA-N -1 0 330.359 3.862 20 0 EHADRM CCc1nc(NC(=O)CC[C@H](NC(=O)[O-])c2ccccc2)sc1C ZINC000739559841 602462098 /nfs/dbraw/zinc/46/20/98/602462098.db2.gz MICAYIKQCYHQHU-AWEZNQCLSA-N -1 0 347.440 3.742 20 0 EHADRM Cc1cccc2sc(C(=O)N(C)[C@H](C)CNC(=O)[O-])c(Cl)c21 ZINC000740178400 602466173 /nfs/dbraw/zinc/46/61/73/602466173.db2.gz HXWMUMUSAHGQIC-SECBINFHSA-N -1 0 340.832 3.591 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)Nc1cccc2[nH]ccc21)c1ccccc1 ZINC000740541152 602470731 /nfs/dbraw/zinc/47/07/31/602470731.db2.gz XMYXDLCXCOCWKV-HNNXBMFYSA-N -1 0 337.379 3.896 20 0 EHADRM O=C([O-])NC1CCC(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)CC1 ZINC000740554587 602476690 /nfs/dbraw/zinc/47/66/90/602476690.db2.gz XFYHXUQJBBXMAW-PREGVCBESA-N -1 0 348.418 3.610 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2nc(-c3ccc[nH]3)cs2)ccc1F ZINC000740700069 602482878 /nfs/dbraw/zinc/48/28/78/602482878.db2.gz YTQGRQSNMGLXJB-UHFFFAOYSA-N -1 0 346.343 3.620 20 0 EHADRM COc1ccc(Cl)c(NC(=O)c2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000739907204 602486488 /nfs/dbraw/zinc/48/64/88/602486488.db2.gz PYVHYKOYCFXIPG-UHFFFAOYSA-N -1 0 338.722 3.830 20 0 EHADRM CCc1ccsc1C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2 ZINC000739550376 602488848 /nfs/dbraw/zinc/48/88/48/602488848.db2.gz RFHHQWATJQYHLR-UHFFFAOYSA-N -1 0 330.409 3.599 20 0 EHADRM CC(C)c1ccc(OCC(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738875288 602499742 /nfs/dbraw/zinc/49/97/42/602499742.db2.gz FSXAFMOLFDLUPW-UHFFFAOYSA-N -1 0 328.368 3.917 20 0 EHADRM CC(C)Sc1ccc(Cl)cc1NC(=O)CCCNC(=O)[O-] ZINC000736498933 602505708 /nfs/dbraw/zinc/50/57/08/602505708.db2.gz NQGHXYVTNZXVPW-UHFFFAOYSA-N -1 0 330.837 3.827 20 0 EHADRM Cc1ccc(CC(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])cc1C ZINC000740122875 602506735 /nfs/dbraw/zinc/50/67/35/602506735.db2.gz KHHZVGKMKYUBSV-UHFFFAOYSA-N -1 0 338.407 3.915 20 0 EHADRM COc1cc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])ccc1C ZINC000739852102 602506820 /nfs/dbraw/zinc/50/68/20/602506820.db2.gz KTPBMWJMHWRLDK-UHFFFAOYSA-N -1 0 340.379 3.687 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)Cn3ccc4ccccc43)ccc21 ZINC000740389237 602509655 /nfs/dbraw/zinc/50/96/55/602509655.db2.gz SORXIGZSQISCTG-UHFFFAOYSA-N -1 0 349.390 3.711 20 0 EHADRM CC(C)(C)c1csc(CCNC(=O)c2ccc(NC(=O)[O-])cc2)n1 ZINC000736300078 602520797 /nfs/dbraw/zinc/52/07/97/602520797.db2.gz SNZUCVGKOJJXSF-UHFFFAOYSA-N -1 0 347.440 3.503 20 0 EHADRM CN(C(=O)[O-])C1CCN(C(=O)c2ccc(C3CCCCC3)cc2)CC1 ZINC000737933578 602524110 /nfs/dbraw/zinc/52/41/10/602524110.db2.gz SKVSBFDBZNUUHZ-UHFFFAOYSA-N -1 0 344.455 3.949 20 0 EHADRM CN(C(=O)[O-])C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000737930177 602538946 /nfs/dbraw/zinc/53/89/46/602538946.db2.gz SGBYSSXJVZVTRP-UHFFFAOYSA-N -1 0 346.214 3.600 20 0 EHADRM Cc1ccc(CCNC(=O)c2cc3ccccc3cc2NC(=O)[O-])cn1 ZINC000740124020 602539008 /nfs/dbraw/zinc/53/90/08/602539008.db2.gz ZKFGXJLIYRWKPK-UHFFFAOYSA-N -1 0 349.390 3.606 20 0 EHADRM COc1ccc([C@@H](C)C(=O)Nc2cc(NC(=O)[O-])ccc2F)cc1 ZINC000739897506 602567956 /nfs/dbraw/zinc/56/79/56/602567956.db2.gz WUMJRUGBNHVLMX-SNVBAGLBSA-N -1 0 332.331 3.666 20 0 EHADRM COc1ccc([C@@H](C)C(=O)Nc2cc(OC)ccc2NC(=O)[O-])cc1 ZINC000739896705 602567985 /nfs/dbraw/zinc/56/79/85/602567985.db2.gz OWCJIJFWFQAKTJ-LLVKDONJSA-N -1 0 344.367 3.536 20 0 EHADRM Cc1ccc(C)c(NC(=O)N2CCC[C@H]([C@@H]3CCCN3C(=O)[O-])C2)c1 ZINC000740116743 602579589 /nfs/dbraw/zinc/57/95/89/602579589.db2.gz XQBGMGGOVOQAOP-RDJZCZTQSA-N -1 0 345.443 3.690 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000740158381 602581114 /nfs/dbraw/zinc/58/11/14/602581114.db2.gz LTHWZHPOCPSRGI-AWEZNQCLSA-N -1 0 333.432 3.725 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000738991661 602598295 /nfs/dbraw/zinc/59/82/95/602598295.db2.gz VDKALRVSIUSWSB-SSDOTTSWSA-N -1 0 331.294 3.715 20 0 EHADRM Cc1ccc(OCCCNC(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000740145874 602600385 /nfs/dbraw/zinc/60/03/85/602600385.db2.gz QMNCIDKSLWFKSY-UHFFFAOYSA-N -1 0 343.383 3.676 20 0 EHADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000738931406 602600483 /nfs/dbraw/zinc/60/04/83/602600483.db2.gz HAGKAYIRKBYWKP-NSHDSACASA-N -1 0 341.367 3.706 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(NC(=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000738987488 602601451 /nfs/dbraw/zinc/60/14/51/602601451.db2.gz LDCRFURIXVKAQW-SNVBAGLBSA-N -1 0 339.355 3.536 20 0 EHADRM C[C@@H]1CCC[C@H](NC(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])C1 ZINC000739098247 602605730 /nfs/dbraw/zinc/60/57/30/602605730.db2.gz VKRRNSISZGFSHN-OCCSQVGLSA-N -1 0 331.416 3.817 20 0 EHADRM CC[C@@H]1CCCCN1C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739268224 602606706 /nfs/dbraw/zinc/60/67/06/602606706.db2.gz MIPMEKQAGDFUED-OAHLLOKOSA-N -1 0 331.416 3.914 20 0 EHADRM C[C@@H]1C[C@H](C)CN(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])C1 ZINC000739077324 602606950 /nfs/dbraw/zinc/60/69/50/602606950.db2.gz FVSLBIPPPGTSQW-BETUJISGSA-N -1 0 331.416 3.627 20 0 EHADRM CC(C)c1noc(CNc2ccc(NC(=O)[O-])cc2C(F)(F)F)n1 ZINC000738884515 602646071 /nfs/dbraw/zinc/64/60/71/602646071.db2.gz IHTFYGJMZGSOQJ-UHFFFAOYSA-N -1 0 344.293 3.914 20 0 EHADRM CCc1sc(CN2CCC(NC(=O)[O-])CC2)nc1-c1ccccc1 ZINC000739561372 602650432 /nfs/dbraw/zinc/65/04/32/602650432.db2.gz YFNZPQNCPIIWTQ-UHFFFAOYSA-N -1 0 345.468 3.605 20 0 EHADRM CC(C)(NC(=O)[O-])c1noc(CN(c2ccccc2)C2CCCC2)n1 ZINC000738755044 602679534 /nfs/dbraw/zinc/67/95/34/602679534.db2.gz NXLXNGROSMPIKT-UHFFFAOYSA-N -1 0 344.415 3.522 20 0 EHADRM Cc1cccc2sc(NC(=O)[C@H](NC(=O)[O-])c3ccccc3)nc21 ZINC000740178064 602723832 /nfs/dbraw/zinc/72/38/32/602723832.db2.gz GVLWGTOSKOCZQC-CQSZACIVSA-N -1 0 341.392 3.552 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)NC/C=C\c3ccccc3)ccc21 ZINC000740416658 602739682 /nfs/dbraw/zinc/73/96/82/602739682.db2.gz MVDPCBVFSYEBNM-DAXSKMNVSA-N -1 0 337.379 3.562 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739279032 602750618 /nfs/dbraw/zinc/75/06/18/602750618.db2.gz PYZLECTYSWFKCC-KRWDZBQOSA-N -1 0 346.427 3.794 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)CCCCCCNC(=O)[O-] ZINC000739080040 602764931 /nfs/dbraw/zinc/76/49/31/602764931.db2.gz BCLGKPMHZQURQQ-RDJZCZTQSA-N -1 0 332.444 3.609 20 0 EHADRM Cc1csc(N(C(=O)CCC(C)(C)NC(=O)[O-])c2ccccc2)n1 ZINC000740211185 602784441 /nfs/dbraw/zinc/78/44/41/602784441.db2.gz VJFHAYRFQMCCQC-UHFFFAOYSA-N -1 0 347.440 3.943 20 0 EHADRM COc1cccc(N(CC(C)C)C(=O)CCC(C)(C)NC(=O)[O-])c1 ZINC000739951959 602789921 /nfs/dbraw/zinc/78/99/21/602789921.db2.gz XXIVPSGORBOBDX-UHFFFAOYSA-N -1 0 336.432 3.511 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)CCC(C)(C)NC(=O)[O-])c2)oc1C ZINC000740207787 602794225 /nfs/dbraw/zinc/79/42/25/602794225.db2.gz JVORKFNQYJRYJP-UHFFFAOYSA-N -1 0 345.399 3.723 20 0 EHADRM CC[C@@H]1CN(C(=O)c2cccc(NC(=O)[O-])c2)c2ccccc2O1 ZINC000736943342 602813113 /nfs/dbraw/zinc/81/31/13/602813113.db2.gz KZGFJTKCKNGAEF-CQSZACIVSA-N -1 0 326.352 3.594 20 0 EHADRM CC[C@@H](NC(=O)c1cccc(NC(=O)[O-])c1)c1ccc(F)cc1F ZINC000736920255 602814282 /nfs/dbraw/zinc/81/42/82/602814282.db2.gz PNTUINDUQLBBAU-OAHLLOKOSA-N -1 0 334.322 3.936 20 0 EHADRM C[C@@H]1c2ccc(F)cc2CCN1C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739204251 602816986 /nfs/dbraw/zinc/81/69/86/602816986.db2.gz BOLDVAATRLVZPQ-SNVBAGLBSA-N -1 0 346.333 3.814 20 0 EHADRM C[C@@H](CNC(=O)c1ccc(NC(=O)[O-])cc1)Oc1cccc(Cl)c1 ZINC000736605389 602817403 /nfs/dbraw/zinc/81/74/03/602817403.db2.gz DVKGEFAYTOIPEI-NSHDSACASA-N -1 0 348.786 3.627 20 0 EHADRM CC[C@H](CC(=O)N1CCC([C@@H](C)NC(=O)[O-])CC1)c1ccc(C)cc1 ZINC000739249222 602834767 /nfs/dbraw/zinc/83/47/67/602834767.db2.gz LNXIAQZOZCQIAL-HZPDHXFCSA-N -1 0 346.471 3.773 20 0 EHADRM CC[C@H](CC(=O)N1CCC([C@H](C)NC(=O)[O-])CC1)c1ccc(C)cc1 ZINC000739249224 602834915 /nfs/dbraw/zinc/83/49/15/602834915.db2.gz LNXIAQZOZCQIAL-JKSUJKDBSA-N -1 0 346.471 3.773 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)N2CCC([C@H](C)NC(=O)[O-])CC2)cc1 ZINC000739544497 602835746 /nfs/dbraw/zinc/83/57/46/602835746.db2.gz IVPNXBAKTZTFAV-GJZGRUSLSA-N -1 0 346.471 3.637 20 0 EHADRM Cc1ccc(C(=O)N2CCCC[C@@H]2c2nccs2)cc1NC(=O)[O-] ZINC000830192788 602843463 /nfs/dbraw/zinc/84/34/63/602843463.db2.gz OUXUUEGKOGUCNU-CQSZACIVSA-N -1 0 345.424 3.909 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)NCCc2ccc(F)cc2Cl)c1 ZINC000740030893 602843649 /nfs/dbraw/zinc/84/36/49/602843649.db2.gz KHGQUAHTYZGZBS-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1)NC(=O)[O-] ZINC000824685355 602845602 /nfs/dbraw/zinc/84/56/02/602845602.db2.gz LAJLKBDFESKLGI-JTQLQIEISA-N -1 0 334.322 3.617 20 0 EHADRM CCC[C@@H](CC1CCCCC1)C(=O)N1CCC[C@H](CNC(=O)[O-])C1 ZINC000739305102 602845810 /nfs/dbraw/zinc/84/58/10/602845810.db2.gz LKOLRHNUTSFENJ-SJORKVTESA-N -1 0 338.492 3.879 20 0 EHADRM CC(C)N(C(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1)C1CCCC1 ZINC000823647612 602848595 /nfs/dbraw/zinc/84/85/95/602848595.db2.gz MAAXASPKNIUXDQ-WMLDXEAASA-N -1 0 332.444 3.811 20 0 EHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)CC2CCN(C(=O)[O-])CC2)o1 ZINC000740118216 602858356 /nfs/dbraw/zinc/85/83/56/602858356.db2.gz NNELBVGHDJTDSH-INIZCTEOSA-N -1 0 348.443 3.812 20 0 EHADRM C[C@H](CC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])c1cccc(F)c1 ZINC000738892458 602878210 /nfs/dbraw/zinc/87/82/10/602878210.db2.gz UQSYLHDRCUKYOB-GFCCVEGCSA-N -1 0 342.370 3.999 20 0 EHADRM CCCO[C@H]1CCCN(C(=O)c2ccc(C)c(NC(=O)[O-])c2)CC1 ZINC000826934620 602891051 /nfs/dbraw/zinc/89/10/51/602891051.db2.gz GFYFHZVDXBPCNC-HNNXBMFYSA-N -1 0 334.416 3.506 20 0 EHADRM CC[C@H](C)[C@H]1CCCCN1C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739235465 602899822 /nfs/dbraw/zinc/89/98/22/602899822.db2.gz JUSVFADNNPXRRJ-XJKSGUPXSA-N -1 0 333.432 3.887 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)Nc2ccc(NC(=O)[O-])cc2)s1 ZINC000738269241 602900129 /nfs/dbraw/zinc/90/01/29/602900129.db2.gz LWWSAWKZTSFRDB-SNVBAGLBSA-N -1 0 333.413 3.899 20 0 EHADRM CC(C)c1cnc(COC(=O)c2ccc(NC(=O)[O-])cc2Cl)o1 ZINC000738877547 602906622 /nfs/dbraw/zinc/90/66/22/602906622.db2.gz BOCQRZXGJVSHJK-UHFFFAOYSA-N -1 0 338.747 3.898 20 0 EHADRM CC[C@@H]1CCC[C@H](NC(=O)Nc2ccccc2CN(C)C(=O)[O-])C1 ZINC000739264959 602925763 /nfs/dbraw/zinc/92/57/63/602925763.db2.gz HFPNVYWKMCXRCD-HIFRSBDPSA-N -1 0 333.432 3.887 20 0 EHADRM C[C@H](C(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823654223 602951415 /nfs/dbraw/zinc/95/14/15/602951415.db2.gz HTKKORABLBJHER-FZMABENVSA-N -1 0 344.455 3.811 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)N1CCC(CN(C)C(=O)[O-])CC1)c1ccccc1 ZINC000739228614 602956060 /nfs/dbraw/zinc/95/60/60/602956060.db2.gz WBKJPXIPPVPQSZ-MAUKXSAKSA-N -1 0 346.471 3.665 20 0 EHADRM CC[C@H](C)[C@H](C(=O)N1CCC([C@H](C)NC(=O)[O-])CC1)c1ccccc1 ZINC000739230824 602956936 /nfs/dbraw/zinc/95/69/36/602956936.db2.gz ZNMUXZGZKNQZBQ-MPGHIAIKSA-N -1 0 346.471 3.711 20 0 EHADRM CN(C)c1ccc([C@@H]2C[C@H]2C(=O)Oc2ccc(NC(=O)[O-])cc2)cc1 ZINC000737376005 602960871 /nfs/dbraw/zinc/96/08/71/602960871.db2.gz AXFSIMGNCAMIHQ-DLBZAZTESA-N -1 0 340.379 3.552 20 0 EHADRM Cc1onc(-c2ccccc2)c1C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000738398561 602964182 /nfs/dbraw/zinc/96/41/82/602964182.db2.gz TWKSEASUYQQVMP-UHFFFAOYSA-N -1 0 338.319 3.959 20 0 EHADRM CCCCOc1ccc(NC(=O)[C@H]2CCC[C@H]2NC(=O)[O-])c(C)c1 ZINC000739339704 602966931 /nfs/dbraw/zinc/96/69/31/602966931.db2.gz QQWHKOAHNSJEKU-GOEBONIOSA-N -1 0 334.416 3.549 20 0 EHADRM Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C2CC2)cc1NC(=O)[O-] ZINC000830203889 602968086 /nfs/dbraw/zinc/96/80/86/602968086.db2.gz BIBJDKFIKVIGAS-GOSISDBHSA-N -1 0 338.407 3.836 20 0 EHADRM O=C([O-])N1CC[C@@H](c2nc(-c3c(Cl)cccc3Cl)no2)C1 ZINC000740509360 602972787 /nfs/dbraw/zinc/97/27/87/602972787.db2.gz QZHJTVHSEORPHX-SSDOTTSWSA-N -1 0 328.155 3.511 20 0 EHADRM CC(C)n1ncc2cc(NC(=O)C3(NC(=O)[O-])CCCCC3)ccc21 ZINC000738888418 602989965 /nfs/dbraw/zinc/98/99/65/602989965.db2.gz QGWXNXMBHRMTKL-UHFFFAOYSA-N -1 0 344.415 3.526 20 0 EHADRM C[C@@H](CN(C)C(=O)[O-])c1noc(-c2cnc(-c3ccccc3)s2)n1 ZINC000738907253 603006563 /nfs/dbraw/zinc/00/65/63/603006563.db2.gz KNXPZZWRYYTVCL-JTQLQIEISA-N -1 0 344.396 3.573 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc1 ZINC000739545264 603014692 /nfs/dbraw/zinc/01/46/92/603014692.db2.gz UJCFNFQBLWOBHF-TZUVLKIQSA-N -1 0 344.455 3.532 20 0 EHADRM C[C@H](CCc1ccco1)NC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000738909381 603032346 /nfs/dbraw/zinc/03/23/46/603032346.db2.gz SWEQWYKJGYXCNJ-SNVBAGLBSA-N -1 0 335.335 3.651 20 0 EHADRM Cc1cccc2[nH]cc(CC(=O)Oc3ccc(N(C)C(=O)[O-])cc3)c21 ZINC000830533654 603044679 /nfs/dbraw/zinc/04/46/79/603044679.db2.gz XNLDTUCPKHCZBA-UHFFFAOYSA-N -1 0 338.363 3.739 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)C2(c3cccc(F)c3)CC2)cc1 ZINC000827900902 603047518 /nfs/dbraw/zinc/04/75/18/603047518.db2.gz RPGOZKOYMCOYCT-UHFFFAOYSA-N -1 0 329.327 3.577 20 0 EHADRM CC(C)(CNC(=O)c1ccc(NC(=O)[O-])cc1)c1cccc(F)c1 ZINC000736321879 603054436 /nfs/dbraw/zinc/05/44/36/603054436.db2.gz LSPLEXDGXMHTKT-UHFFFAOYSA-N -1 0 330.359 3.623 20 0 EHADRM O=C([O-])N1CCC[C@H](CNc2ccc(COC3CCCC3)cc2)C1 ZINC000740513214 603090704 /nfs/dbraw/zinc/09/07/04/603090704.db2.gz SWKNOTQNFZEIDI-MRXNPFEDSA-N -1 0 332.444 3.948 20 0 EHADRM O=C([O-])N1CCC(CC(=O)N2CCCC3(C2)CCCCCC3)CC1 ZINC000831869252 603090814 /nfs/dbraw/zinc/09/08/14/603090814.db2.gz KACXTPKAXQSONP-UHFFFAOYSA-N -1 0 336.476 3.730 20 0 EHADRM C[C@H](OC(=O)CCC(C)(C)NC(=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000739041755 603104930 /nfs/dbraw/zinc/10/49/30/603104930.db2.gz LAGVIBNKVDFHMI-LBPRGKRZSA-N -1 0 346.383 3.772 20 0 EHADRM CCCCc1ccc(NC(=O)NC2CCC(NC(=O)[O-])CC2)cc1 ZINC000739341322 603135913 /nfs/dbraw/zinc/13/59/13/603135913.db2.gz JVKUUGQFXZYFOH-UHFFFAOYSA-N -1 0 333.432 3.730 20 0 EHADRM CCCCOc1cccc(NC(=O)NC2CCC(NC(=O)[O-])CC2)c1 ZINC000739339324 603138568 /nfs/dbraw/zinc/13/85/68/603138568.db2.gz MTOPJLOBAATRED-UHFFFAOYSA-N -1 0 349.431 3.566 20 0 EHADRM CC(C)[C@@H](c1ccccc1)N(C)C(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000738798158 603152336 /nfs/dbraw/zinc/15/23/36/603152336.db2.gz ATLFKPWQAYVXOF-JCYILVPMSA-N -1 0 347.459 3.604 20 0 EHADRM C[C@@H](NC(=O)COc1ccc(NC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000737687280 603154633 /nfs/dbraw/zinc/15/46/33/603154633.db2.gz WWICVEDETPSRDY-LLVKDONJSA-N -1 0 348.786 3.686 20 0 EHADRM C[C@@H]1CCc2ccccc2N1C(=O)COc1ccc(NC(=O)[O-])cc1 ZINC000737753426 603156513 /nfs/dbraw/zinc/15/65/13/603156513.db2.gz IIPOYYVOKXBSMJ-CYBMUJFWSA-N -1 0 340.379 3.523 20 0 EHADRM Cc1cccc(-c2noc(COc3ccc(N(C)C(=O)[O-])cc3)n2)c1 ZINC000830459833 603160310 /nfs/dbraw/zinc/16/03/10/603160310.db2.gz KTVJKDPVPPUOQP-UHFFFAOYSA-N -1 0 339.351 3.738 20 0 EHADRM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000738891196 603163464 /nfs/dbraw/zinc/16/34/64/603163464.db2.gz QLPHNDKLFVQBDE-FHLIZLRMSA-N -1 0 344.455 3.640 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C)C(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739060388 603165281 /nfs/dbraw/zinc/16/52/81/603165281.db2.gz UHNLEBDGOBKSFV-UPJWGTAASA-N -1 0 338.835 3.686 20 0 EHADRM CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739440546 603166129 /nfs/dbraw/zinc/16/61/29/603166129.db2.gz CLQVPKUZUTYQLL-DZGCQCFKSA-N -1 0 338.835 3.515 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)cc1C ZINC000740116593 603181650 /nfs/dbraw/zinc/18/16/50/603181650.db2.gz AVJUVTLYYISNFK-KURKYZTESA-N -1 0 344.455 3.793 20 0 EHADRM Cc1ccc(CC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1C ZINC000830287954 603185983 /nfs/dbraw/zinc/18/59/83/603185983.db2.gz CUWQUGYXKJTMFC-CQSZACIVSA-N -1 0 326.396 3.813 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2cn(C)c3ccccc23)cc1 ZINC000825449142 603191951 /nfs/dbraw/zinc/19/19/51/603191951.db2.gz KTKLAUIFPYDLHR-LBPRGKRZSA-N -1 0 337.379 3.759 20 0 EHADRM COc1cccc([C@H](C)C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)c1 ZINC000829543804 603195748 /nfs/dbraw/zinc/19/57/48/603195748.db2.gz PNKAVLLUFYOEJE-QWHCGFSZSA-N -1 0 342.395 3.766 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)cc1 ZINC000738663010 603196091 /nfs/dbraw/zinc/19/60/91/603196091.db2.gz GDPQPDVBZGFFIB-OLZOCXBDSA-N -1 0 332.306 3.797 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)C2(c3ccccc3F)CC2)cc1 ZINC000825418094 603196267 /nfs/dbraw/zinc/19/62/67/603196267.db2.gz SAFLPLUHAQXOPL-GFCCVEGCSA-N -1 0 342.370 3.825 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(F)c(NC(=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000826034590 603202177 /nfs/dbraw/zinc/20/21/77/603202177.db2.gz KWLAZBLPYLLFOZ-ZBEGNZNMSA-N -1 0 328.343 3.749 20 0 EHADRM CC(C)(C)Oc1ccccc1NC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000738726307 603207453 /nfs/dbraw/zinc/20/74/53/603207453.db2.gz SWOLEOWSOKECAA-QWHCGFSZSA-N -1 0 334.416 3.629 20 0 EHADRM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000827494683 603208953 /nfs/dbraw/zinc/20/89/53/603208953.db2.gz CRTGLTPZQGEHKQ-VXGBXAGGSA-N -1 0 340.420 3.662 20 0 EHADRM O=C([O-])NC[C@@H](C(=O)Nc1ccc2ccccc2c1)c1ccccc1 ZINC000832416175 603214257 /nfs/dbraw/zinc/21/42/57/603214257.db2.gz UUHOJYSINFKGQZ-GOSISDBHSA-N -1 0 334.375 3.830 20 0 EHADRM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739051707 603215121 /nfs/dbraw/zinc/21/51/21/603215121.db2.gz FASGQWQMCVVFIY-GXSJLCMTSA-N -1 0 345.226 3.513 20 0 EHADRM COc1ccc(C)cc1CNC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739890161 603216728 /nfs/dbraw/zinc/21/67/28/603216728.db2.gz BMQLMMZYHBPWMW-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM C[C@H](c1cccnc1)N(C)C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739061275 603232996 /nfs/dbraw/zinc/23/29/96/603232996.db2.gz SGPAXTXGOWMNOQ-SNVBAGLBSA-N -1 0 333.775 3.658 20 0 EHADRM CN(Cc1csc2ccccc12)C(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739717584 603241592 /nfs/dbraw/zinc/24/15/92/603241592.db2.gz OYNOAGZHSJCHQW-TZMCWYRMSA-N -1 0 346.452 3.686 20 0 EHADRM Cc1nc([C@H](C)NC(=O)c2ccc(NC(=O)[O-])cc2Cl)cs1 ZINC000740217521 603244477 /nfs/dbraw/zinc/24/44/77/603244477.db2.gz LDOYRUCADDRHFB-ZETCQYMHSA-N -1 0 339.804 3.686 20 0 EHADRM O=C([O-])N1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000740340304 603249898 /nfs/dbraw/zinc/24/98/98/603249898.db2.gz GBZCUPTVHOBFQH-RCCFBDPRSA-N -1 0 348.487 3.584 20 0 EHADRM CS[C@H]1CCC[C@H](NC(=O)c2ccc(NC(=O)[O-])cc2Cl)C1 ZINC000740003399 603252431 /nfs/dbraw/zinc/25/24/31/603252431.db2.gz WOKSJQBIRYSVPE-ONGXEEELSA-N -1 0 342.848 3.834 20 0 EHADRM O=C([O-])Nc1cc(C(=O)NC2(c3cccc(Cl)c3)CC2)ccc1F ZINC000740697609 603262265 /nfs/dbraw/zinc/26/22/65/603262265.db2.gz XSTUNRSZIRHKQE-UHFFFAOYSA-N -1 0 348.761 3.988 20 0 EHADRM Cc1ccc(F)cc1NC(=O)[C@@H](NC(=O)[O-])c1cccc(Cl)c1 ZINC000740130081 603262836 /nfs/dbraw/zinc/26/28/36/603262836.db2.gz QMFPLWNPKLDZSD-AWEZNQCLSA-N -1 0 336.750 3.735 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1NC(=O)[O-] ZINC000830230976 603276313 /nfs/dbraw/zinc/27/63/13/603276313.db2.gz VFXWWAJOLDGJRX-UHFFFAOYSA-N -1 0 339.395 3.937 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2C(=O)CCCCCCNC(=O)[O-])o1 ZINC000740119942 603278552 /nfs/dbraw/zinc/27/85/52/603278552.db2.gz YPDKSZVNAGQIOM-HNNXBMFYSA-N -1 0 336.432 3.860 20 0 EHADRM Cc1ccc(C(=O)NCc2nc3ccccc3s2)cc1NC(=O)[O-] ZINC000830224909 603282812 /nfs/dbraw/zinc/28/28/12/603282812.db2.gz CWBLEDFUWTVAGQ-UHFFFAOYSA-N -1 0 341.392 3.625 20 0 EHADRM O=C([O-])N1CCC[C@H]1CC(=O)Nc1ccccc1-c1cccs1 ZINC000831340161 603284744 /nfs/dbraw/zinc/28/47/44/603284744.db2.gz SCEKVUGDXUFZLS-LBPRGKRZSA-N -1 0 330.409 3.886 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCC[C@H]2c2ccccn2)c(Cl)c1 ZINC000740700147 603287533 /nfs/dbraw/zinc/28/75/33/603287533.db2.gz QXVTXTIVZNXTBM-HNNXBMFYSA-N -1 0 345.786 3.802 20 0 EHADRM C[C@H](CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl)NC(=O)[O-] ZINC000824551564 603295606 /nfs/dbraw/zinc/29/56/06/603295606.db2.gz LJPRMRYLVOOXSG-RKDXNWHRSA-N -1 0 333.215 3.559 20 0 EHADRM O=C([O-])N1CCCN(C(=O)CCc2cccs2)c2ccccc21 ZINC000740515166 603298348 /nfs/dbraw/zinc/29/83/48/603298348.db2.gz DSPMLERHJNCKFW-UHFFFAOYSA-N -1 0 330.409 3.602 20 0 EHADRM CC(C)(C)CC(=O)N(c1ccccc1F)C1CCN(C(=O)[O-])CC1 ZINC000738682533 603298959 /nfs/dbraw/zinc/29/89/59/603298959.db2.gz LMZAUEDTIMZGKX-UHFFFAOYSA-N -1 0 336.407 3.737 20 0 EHADRM O=C([O-])NC1CCC(C(=O)N2CCCCC[C@H]2c2ccco2)CC1 ZINC000740550937 603301698 /nfs/dbraw/zinc/30/16/98/603301698.db2.gz CRJDWYJREUQQRI-NRXISQOPSA-N -1 0 334.416 3.550 20 0 EHADRM C[C@H](CNC(=O)Nc1cccc(CNC(=O)[O-])c1)Cc1cccs1 ZINC000824946775 603318223 /nfs/dbraw/zinc/31/82/23/603318223.db2.gz TXOMIBBBCMBZSQ-LBPRGKRZSA-N -1 0 347.440 3.516 20 0 EHADRM CCN(Cc1cccc(NC(=O)Cc2cc(F)ccc2F)c1)C(=O)[O-] ZINC000827166211 603320918 /nfs/dbraw/zinc/32/09/18/603320918.db2.gz AIFJGPUYQSNATA-UHFFFAOYSA-N -1 0 348.349 3.646 20 0 EHADRM C[C@@H](C1CC1)N(C(=O)Nc1cccc2c1CCN(C(=O)[O-])C2)C1CC1 ZINC000824545542 603323284 /nfs/dbraw/zinc/32/32/84/603323284.db2.gz YOAOBFFKVDSMRL-LBPRGKRZSA-N -1 0 343.427 3.518 20 0 EHADRM CC(C)C1CCN(C(=O)Nc2ccccc2CN(C)C(=O)[O-])CC1 ZINC000824158277 603329536 /nfs/dbraw/zinc/32/95/36/603329536.db2.gz QKTZCGKBKMMLPH-UHFFFAOYSA-N -1 0 333.432 3.696 20 0 EHADRM C[C@H](C(=O)Nc1ccc2ccccc2n1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823716146 603342566 /nfs/dbraw/zinc/34/25/66/603342566.db2.gz XOZFHYKFTJFMDW-SCLBCKFNSA-N -1 0 349.390 3.818 20 0 EHADRM CCC1CCN(C(=O)Nc2ccccc2CN(CC)C(=O)[O-])CC1 ZINC000739264167 603350238 /nfs/dbraw/zinc/35/02/38/603350238.db2.gz FPSWUSSBKXPCMJ-UHFFFAOYSA-N -1 0 333.432 3.840 20 0 EHADRM CCN(C(=O)[C@H](C)[C@H](NC(=O)[O-])c1ccccc1)c1ccccc1C ZINC000826969090 603355867 /nfs/dbraw/zinc/35/58/67/603355867.db2.gz AGGCJYOTMCRGNJ-QAPCUYQASA-N -1 0 340.423 3.993 20 0 EHADRM CCN(C(=O)Nc1cccc(CN(C)C(=O)[O-])c1)C1CCCCC1 ZINC000739382909 603357909 /nfs/dbraw/zinc/35/79/09/603357909.db2.gz SEMFGHCESHVURL-UHFFFAOYSA-N -1 0 333.432 3.983 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N[C@@H](C)CCc2ccco2)cc1 ZINC000824816634 603363254 /nfs/dbraw/zinc/36/32/54/603363254.db2.gz LBHCKCFOWVXQGM-QWHCGFSZSA-N -1 0 345.399 3.751 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N[C@@H](C)Cc2cccs2)cc1 ZINC000825031202 603365467 /nfs/dbraw/zinc/36/54/67/603365467.db2.gz SQXNEEVTYAPPEC-NWDGAFQWSA-N -1 0 347.440 3.829 20 0 EHADRM CSCC[C@H](C)N(C)C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000829721891 603375053 /nfs/dbraw/zinc/37/50/53/603375053.db2.gz GIZNJLPGPBJCJA-NWDGAFQWSA-N -1 0 339.461 3.621 20 0 EHADRM Cc1cccc(C)c1NC(=S)NC[C@H](NC(=O)[O-])c1ccccc1 ZINC000740167234 603378937 /nfs/dbraw/zinc/37/89/37/603378937.db2.gz UIXHUGSFMPUQAP-HNNXBMFYSA-N -1 0 343.452 3.599 20 0 EHADRM CN(Cc1ccccc1NC(=O)C[C@@H]1CCc2ccccc21)C(=O)[O-] ZINC000739713423 603398695 /nfs/dbraw/zinc/39/86/95/603398695.db2.gz IWUFIGUVGGGXMX-HNNXBMFYSA-N -1 0 338.407 3.855 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@H](c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000832340314 603419504 /nfs/dbraw/zinc/41/95/04/603419504.db2.gz QTWWOOFXWZZMFB-AAEUAGOBSA-N -1 0 335.791 3.608 20 0 EHADRM C[C@@H](Cc1nc(-c2cccc(Oc3ccccc3)c2)no1)NC(=O)[O-] ZINC000825030751 603422832 /nfs/dbraw/zinc/42/28/32/603422832.db2.gz OGGFMOSYZKGOIV-LBPRGKRZSA-N -1 0 339.351 3.728 20 0 EHADRM CCN(CC(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1)C(=O)[O-] ZINC000739396477 603429702 /nfs/dbraw/zinc/42/97/02/603429702.db2.gz YWUXDKMLDJEJGM-AWEZNQCLSA-N -1 0 341.411 3.798 20 0 EHADRM O=C([O-])N1CCCN(C(=O)c2ccnc3ccccc32)c2ccccc21 ZINC000740516259 603432220 /nfs/dbraw/zinc/43/22/20/603432220.db2.gz PRFCQRBGDBJLCZ-UHFFFAOYSA-N -1 0 347.374 3.770 20 0 EHADRM CCN(C(=O)NCC(C)(C)NC(=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000826980442 603458277 /nfs/dbraw/zinc/45/82/77/603458277.db2.gz VICKCETXJQBPMV-LBPRGKRZSA-N -1 0 347.415 3.572 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1)c1cc(Cl)ccc1Cl ZINC000825083384 603459448 /nfs/dbraw/zinc/45/94/48/603459448.db2.gz PVKKQPGYBLWMAH-QXEWZRGKSA-N -1 0 345.226 3.607 20 0 EHADRM C[C@H](NC(=O)[O-])C1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000825286865 603487633 /nfs/dbraw/zinc/48/76/33/603487633.db2.gz GDARFZRAYJTHKK-VIFPVBQESA-N -1 0 345.226 3.502 20 0 EHADRM CC(C)(C)c1csc(CON=C(N)c2cccc(NC(=O)[O-])c2)n1 ZINC000823863744 603492640 /nfs/dbraw/zinc/49/26/40/603492640.db2.gz BNCBVTQLVWXWFS-UHFFFAOYSA-N -1 0 348.428 3.577 20 0 EHADRM CCc1cccc(C)c1NC(=O)C[C@@H](Cc1ccccc1)NC(=O)[O-] ZINC000827595030 603524920 /nfs/dbraw/zinc/52/49/20/603524920.db2.gz KPZLXCSUQZINEP-QGZVFWFLSA-N -1 0 340.423 3.765 20 0 EHADRM CCC[C@@H](C)N(C)C(=O)c1cc(Cl)c(NC(=O)[O-])cc1OC ZINC000826733969 603529953 /nfs/dbraw/zinc/52/99/53/603529953.db2.gz FVJCWOXGGQODAL-SECBINFHSA-N -1 0 328.796 3.699 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)Nc2ccc(NC3CCCCC3)cc2)C1 ZINC000832287111 603541991 /nfs/dbraw/zinc/54/19/91/603541991.db2.gz MDKQEKDKJYVDBH-CXAGYDPISA-N -1 0 345.443 3.806 20 0 EHADRM C[C@@H](CCOc1ccccc1)c1nc(C2(NC(=O)[O-])CCCC2)no1 ZINC000824808989 603542643 /nfs/dbraw/zinc/54/26/43/603542643.db2.gz COJRNOLZOFORSS-ZDUSSCGKSA-N -1 0 345.399 3.679 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)Nc2cc(Cl)c(Cl)cn2)cc1 ZINC000832841663 603547560 /nfs/dbraw/zinc/54/75/60/603547560.db2.gz KCBFBLJXBIORDB-UHFFFAOYSA-N -1 0 340.166 3.660 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)[C@H]3C[C@@]34CCc3ccccc34)ccc21 ZINC000831773282 603553515 /nfs/dbraw/zinc/55/35/15/603553515.db2.gz VAJSUDBVNRMIMG-DYESRHJHSA-N -1 0 348.402 3.570 20 0 EHADRM CCCc1ccccc1NC(=O)N1CCC(CN(CC)C(=O)[O-])CC1 ZINC000826953791 603583028 /nfs/dbraw/zinc/58/30/28/603583028.db2.gz LZWBQCZSTROSDH-UHFFFAOYSA-N -1 0 347.459 3.883 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000825858531 603583271 /nfs/dbraw/zinc/58/32/71/603583271.db2.gz BHKZNXLWBKNAFY-XNJGSVPQSA-N -1 0 343.427 3.912 20 0 EHADRM CCC[C@@H](NC(=O)N(C)C1CCC(NC(=O)[O-])CC1)c1ccccc1 ZINC000826743604 603614237 /nfs/dbraw/zinc/61/42/37/603614237.db2.gz KRQCCRIYJTWULI-OFLPRAFFSA-N -1 0 347.459 3.748 20 0 EHADRM C[C@H](CCOc1ccccc1)C(=O)Nc1ccccc1NC(=O)[O-] ZINC000824809638 603615516 /nfs/dbraw/zinc/61/55/16/603615516.db2.gz IQLRBQPAIZRPHR-CYBMUJFWSA-N -1 0 328.368 3.820 20 0 EHADRM Cc1ccc(NC(=O)[O-])c(OCC(=O)Nc2ccccc2Cl)c1 ZINC000830390888 603638359 /nfs/dbraw/zinc/63/83/59/603638359.db2.gz YCLLYTNUMVVQEX-UHFFFAOYSA-N -1 0 334.759 3.756 20 0 EHADRM Cc1ccc2c(c1)N(C(=O)c1cccc(NC(=O)[O-])c1)C[C@H](C)O2 ZINC000830445389 603679189 /nfs/dbraw/zinc/67/91/89/603679189.db2.gz GFEWAWUSHWJZIH-LBPRGKRZSA-N -1 0 326.352 3.513 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N(CC2CC2)c2ccccc2)ccc1F ZINC000832817733 603776941 /nfs/dbraw/zinc/77/69/41/603776941.db2.gz MNVVKCKBNCWBAO-UHFFFAOYSA-N -1 0 328.343 3.972 20 0 EHADRM CCc1cnc(COC(=O)c2cc3ccccc3cc2NC(=O)[O-])o1 ZINC000827616327 603794139 /nfs/dbraw/zinc/79/41/39/603794139.db2.gz MUIKEKDSQTVTAS-UHFFFAOYSA-N -1 0 340.335 3.837 20 0 EHADRM CCc1ccc(O)c(NC(=O)[C@@H](C)[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000827590000 603896162 /nfs/dbraw/zinc/89/61/62/603896162.db2.gz VTFSNHIPHWUEKV-SJCJKPOMSA-N -1 0 342.395 3.538 20 0 EHADRM CC(C)(C)C1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])CC1 ZINC000823759552 603897546 /nfs/dbraw/zinc/89/75/46/603897546.db2.gz JMJKCHDOEZAGBF-VHRNVKJDSA-N -1 0 336.476 3.582 20 0 EHADRM Cc1ccc(/C=C\CC(=O)N(C2CC2)C2CCN(C(=O)[O-])CC2)cc1 ZINC000830288992 603917927 /nfs/dbraw/zinc/91/79/27/603917927.db2.gz QANWPYJASVHTFV-IHWYPQMZSA-N -1 0 342.439 3.532 20 0 EHADRM O=C([O-])N1[C@@H]2CC[C@H]1CN(C(=O)Nc1cccc3ccccc31)CC2 ZINC000831797942 603936914 /nfs/dbraw/zinc/93/69/14/603936914.db2.gz ZBPHVFALOZEMEK-CABCVRRESA-N -1 0 339.395 3.588 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)Cc1ccc(Cl)cc1 ZINC000831557212 603946474 /nfs/dbraw/zinc/94/64/74/603946474.db2.gz BDMMJEXFQROIDY-UHFFFAOYSA-N -1 0 330.771 3.562 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000831794325 603949419 /nfs/dbraw/zinc/94/94/19/603949419.db2.gz YEIRNYVKDQVVEF-UHFFFAOYSA-N -1 0 340.166 3.614 20 0 EHADRM CCCCc1noc([C@@H](C)OC(=O)c2ccc(C)c(NC(=O)[O-])c2)n1 ZINC000826854083 603954267 /nfs/dbraw/zinc/95/42/67/603954267.db2.gz WEMUNIXVVLAGSP-LLVKDONJSA-N -1 0 347.371 3.729 20 0 EHADRM CC[C@H](OC(=O)c1ccc(C)c(NC(=O)[O-])c1)C(=O)c1ccccc1 ZINC000826631213 603956323 /nfs/dbraw/zinc/95/63/23/603956323.db2.gz GFYXGFYNYVGYEH-INIZCTEOSA-N -1 0 341.363 3.903 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)c1ncoc1-c1ccccc1 ZINC000831797081 603960459 /nfs/dbraw/zinc/96/04/59/603960459.db2.gz AIQFOHDABLQDAX-UHFFFAOYSA-N -1 0 349.346 3.634 20 0 EHADRM COc1cc(C)ccc1NC(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000829101504 603967177 /nfs/dbraw/zinc/96/71/77/603967177.db2.gz IWBUAYDKFSYFTF-UHFFFAOYSA-N -1 0 341.367 3.688 20 0 EHADRM O=C(CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])N[C@@H](c1cccs1)C1CC1 ZINC000831300597 603972350 /nfs/dbraw/zinc/97/23/50/603972350.db2.gz ZNYCJWQGAJHOSA-SHBQMWMOSA-N -1 0 348.468 3.627 20 0 EHADRM C[C@@H]1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000825938734 603976983 /nfs/dbraw/zinc/97/69/83/603976983.db2.gz PHXYJHMXNPOPEQ-ZWRZTWNMSA-N -1 0 348.487 3.725 20 0 EHADRM C[C@@H](c1ccco1)N(C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])C1CC1 ZINC000825644993 603984995 /nfs/dbraw/zinc/98/49/95/603984995.db2.gz KHNKJEXAVBSKGX-WYQXTGKHSA-N -1 0 346.427 3.643 20 0 EHADRM CCc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)o1 ZINC000827582895 603989242 /nfs/dbraw/zinc/98/92/42/603989242.db2.gz CJUIKEURZZHZCQ-LZWOXQAQSA-N -1 0 348.443 3.722 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000825861386 603994066 /nfs/dbraw/zinc/99/40/66/603994066.db2.gz STMBVCQWCMRVST-XJKCOSOUSA-N -1 0 343.427 3.912 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)cc1Cl ZINC000830383103 604062374 /nfs/dbraw/zinc/06/23/74/604062374.db2.gz WOAXXHFNFCTHGP-NEPJUHHUSA-N -1 0 339.823 3.548 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)cc1Cl ZINC000830383106 604062717 /nfs/dbraw/zinc/06/27/17/604062717.db2.gz WOAXXHFNFCTHGP-VXGBXAGGSA-N -1 0 339.823 3.548 20 0 EHADRM CC(C)[C@@H](CCN(C)C(=O)Nc1ccc(F)cc1Cl)NC(=O)[O-] ZINC000824083849 604118598 /nfs/dbraw/zinc/11/85/98/604118598.db2.gz GYAKSYSAPNJKET-GFCCVEGCSA-N -1 0 345.802 3.625 20 0 EHADRM CSc1ccc(NC(=O)N(C)CC[C@@H](NC(=O)[O-])C(C)C)cc1 ZINC000829766276 604124264 /nfs/dbraw/zinc/12/42/64/604124264.db2.gz GKSLPDWFFOEHSW-CQSZACIVSA-N -1 0 339.461 3.555 20 0 EHADRM CC(C)[C@@H](CCN(C)C(=O)Nc1cc(F)ccc1Cl)NC(=O)[O-] ZINC000824084168 604135783 /nfs/dbraw/zinc/13/57/83/604135783.db2.gz JDYUYXOIHCWUDF-GFCCVEGCSA-N -1 0 345.802 3.625 20 0 EHADRM O=C([O-])N1CCc2ccc(NC(=O)N3CCC[C@@H]4CCC[C@H]43)cc2C1 ZINC000832079041 604138633 /nfs/dbraw/zinc/13/86/33/604138633.db2.gz BTNHZPXDTSUJQU-WMLDXEAASA-N -1 0 343.427 3.519 20 0 EHADRM C[C@H](C(=O)OC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccc(Cl)s1 ZINC000823732164 604184357 /nfs/dbraw/zinc/18/43/57/604184357.db2.gz SWNHGJZBLUWIIO-GKDVJIACSA-N -1 0 343.832 3.722 20 0 EHADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(Cc2csc(C3CCCC3)n2)C1 ZINC000825270756 604207350 /nfs/dbraw/zinc/20/73/50/604207350.db2.gz CJAPVVXDTKRFAY-TZMCWYRMSA-N -1 0 337.489 3.669 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC2(c3cccc(Cl)c3)CC2)cc1F ZINC000833129207 604285466 /nfs/dbraw/zinc/28/54/66/604285466.db2.gz FYHLSVAZZLEHEQ-UHFFFAOYSA-N -1 0 333.746 3.596 20 0 EHADRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)c2ccc(-c3ccco3)s2)C1 ZINC000825242918 604293853 /nfs/dbraw/zinc/29/38/53/604293853.db2.gz BDOMFBSMJTXKBB-NEPJUHHUSA-N -1 0 348.424 3.516 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCC[C@H]2Cc2ccccc2)cc1F ZINC000833309755 604301363 /nfs/dbraw/zinc/30/13/63/604301363.db2.gz LIWZRCHBCJNJBX-INIZCTEOSA-N -1 0 341.382 3.761 20 0 EHADRM CC(C)C[C@@H]1CCCN(C(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])C1 ZINC000824225671 604312516 /nfs/dbraw/zinc/31/25/16/604312516.db2.gz VJLMLKHRRSAYOT-XYTVBORESA-N -1 0 336.476 3.582 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC000738162540 604316347 /nfs/dbraw/zinc/31/63/47/604316347.db2.gz DTCONEPFMGUHEZ-UHFFFAOYSA-N -1 0 344.386 3.521 20 0 EHADRM C[C@@H](CC(=O)Nc1cccc(C(F)F)c1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824695172 604327539 /nfs/dbraw/zinc/32/75/39/604327539.db2.gz JSDFJDGULRVLBE-AAEUAGOBSA-N -1 0 340.370 3.979 20 0 EHADRM Cc1cc(NC(=O)N2CCc3c(F)cc(F)cc3C2)ccc1C(=O)[O-] ZINC000832895962 604334776 /nfs/dbraw/zinc/33/47/76/604334776.db2.gz YZGYAIKZCMIDTG-UHFFFAOYSA-N -1 0 346.333 3.562 20 0 EHADRM CC1(C)CN(C(=O)CCc2ccc(C(=O)[O-])cc2)c2ccccc2O1 ZINC000828069180 604347514 /nfs/dbraw/zinc/34/75/14/604347514.db2.gz NUHUMKFXQDVRIT-UHFFFAOYSA-N -1 0 339.391 3.522 20 0 EHADRM CC(=O)c1ccc(Br)cc1OCc1cc(C(=O)[O-])co1 ZINC000825946907 604369206 /nfs/dbraw/zinc/36/92/06/604369206.db2.gz WRBUIFYJRUCMQM-UHFFFAOYSA-N -1 0 339.141 3.522 20 0 EHADRM CSc1ccc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1 ZINC000832774178 604379323 /nfs/dbraw/zinc/37/93/23/604379323.db2.gz DFGPKWARWFLVPF-MRXNPFEDSA-N -1 0 343.448 3.990 20 0 EHADRM Cc1cc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c(F)cc1F ZINC000832863355 604380292 /nfs/dbraw/zinc/38/02/92/604380292.db2.gz PJKNQYYEKNLHJY-INIZCTEOSA-N -1 0 347.361 3.855 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1ccc2cc[nH]c2c1)c1ccccc1 ZINC000826102722 604388293 /nfs/dbraw/zinc/38/82/93/604388293.db2.gz GYNLJWGCDQNAPM-KRWDZBQOSA-N -1 0 336.391 3.750 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(C(=O)[O-])c(F)c2)c2ccccc2S1 ZINC000828393464 604391387 /nfs/dbraw/zinc/39/13/87/604391387.db2.gz IYXXBPYFTYMYAI-JTQLQIEISA-N -1 0 331.368 3.665 20 0 EHADRM CCCc1ncc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])s1 ZINC000829570945 604392075 /nfs/dbraw/zinc/39/20/75/604392075.db2.gz LSNNDQYCMRCJQL-OAHLLOKOSA-N -1 0 346.452 3.678 20 0 EHADRM O=C([O-])c1ccc(OCc2ccccc2)c(NC[C@@H]2CCCOC2)c1 ZINC000833324149 604401380 /nfs/dbraw/zinc/40/13/80/604401380.db2.gz ZNBQELASEXTDHX-INIZCTEOSA-N -1 0 341.407 3.802 20 0 EHADRM O=C([O-])c1ccc(COc2cc(F)ccc2Br)s1 ZINC000160125247 604405504 /nfs/dbraw/zinc/40/55/04/604405504.db2.gz MIRRONLAUBACEX-UHFFFAOYSA-N -1 0 331.162 3.927 20 0 EHADRM O=C([O-])c1cc(NC(=O)/C=C\c2ccnc(Cl)c2)ccc1Cl ZINC000833095608 604432300 /nfs/dbraw/zinc/43/23/00/604432300.db2.gz VKKXFRDGYANUBV-RJRFIUFISA-N -1 0 337.162 3.739 20 0 EHADRM C/C(=C/COC(=O)C[C@@H](C)c1ccc(Br)cc1)C(=O)[O-] ZINC000825758893 604435393 /nfs/dbraw/zinc/43/53/93/604435393.db2.gz RXGIODJVMJMMHC-ZJRUKIMVSA-N -1 0 341.201 3.517 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)C(C)(C)c2ccccc2)cc1 ZINC000825370790 604446285 /nfs/dbraw/zinc/44/62/85/604446285.db2.gz BUJOLBBMPOKNIH-CQSZACIVSA-N -1 0 340.423 3.609 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)Cc2cccc(Cl)c2)cc1 ZINC000825378201 604447939 /nfs/dbraw/zinc/44/79/39/604447939.db2.gz SNPQHYFKMFXGIY-GFCCVEGCSA-N -1 0 346.814 3.528 20 0 EHADRM Cc1cccc(C(=O)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)c1C ZINC000830465405 604457218 /nfs/dbraw/zinc/45/72/18/604457218.db2.gz LKTFSGUKQBNAMN-CQSZACIVSA-N -1 0 326.396 3.562 20 0 EHADRM CC(C)(C)O[C@H](C(=O)O[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000833446411 604471003 /nfs/dbraw/zinc/47/10/03/604471003.db2.gz ZQAGGOIEGWCTFC-IRXDYDNUSA-N -1 0 342.391 3.912 20 0 EHADRM CC(C)(C)[C@H](OC(=O)CCc1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000833426764 604473814 /nfs/dbraw/zinc/47/38/14/604473814.db2.gz KXUZLERRNQMITJ-AWEZNQCLSA-N -1 0 332.318 3.838 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@H]1CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000827653549 604486106 /nfs/dbraw/zinc/48/61/06/604486106.db2.gz QAWGSRGVKHXXQX-BBRMVZONSA-N -1 0 332.444 3.694 20 0 EHADRM O=C([O-])c1csc(NC(=O)N2CCC[C@@H](Cc3ccccc3)C2)c1 ZINC000833342066 604499407 /nfs/dbraw/zinc/49/94/07/604499407.db2.gz FEINRDWQEOZTBV-AWEZNQCLSA-N -1 0 344.436 3.933 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000828182973 604501867 /nfs/dbraw/zinc/50/18/67/604501867.db2.gz ATXFRWLLAHXOBU-AAEUAGOBSA-N -1 0 330.409 3.856 20 0 EHADRM CCS[C@@H]1CCC[C@@H](NC(=O)Nc2cc(C(=O)[O-])cs2)C1 ZINC000830157340 604502651 /nfs/dbraw/zinc/50/26/51/604502651.db2.gz IWTZOBWDMAOWBN-GHMZBOCLSA-N -1 0 328.459 3.632 20 0 EHADRM CCS[C@H]1CCC[C@@H](NC(=O)Nc2cc(C(=O)[O-])cs2)C1 ZINC000830157341 604502652 /nfs/dbraw/zinc/50/26/52/604502652.db2.gz IWTZOBWDMAOWBN-MNOVXSKESA-N -1 0 328.459 3.632 20 0 EHADRM CC[C@H](OC(=O)Cc1cccc(C(=O)[O-])c1)c1cccc(OC)c1 ZINC000833646221 604521133 /nfs/dbraw/zinc/52/11/33/604521133.db2.gz QKYZXKQKSSEOLN-KRWDZBQOSA-N -1 0 328.364 3.630 20 0 EHADRM C[C@@H](NC(=O)Nc1cc(C(=O)[O-])cs1)c1c(F)cccc1F ZINC000827664090 604522714 /nfs/dbraw/zinc/52/27/14/604522714.db2.gz DLKVKXFTWSOCMO-SSDOTTSWSA-N -1 0 326.324 3.607 20 0 EHADRM CC[C@@H]1C[C@@H](C)CN1C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000829074142 604522977 /nfs/dbraw/zinc/52/29/77/604522977.db2.gz AFLFGLTZFYXWDL-BMFZPTHFSA-N -1 0 332.444 3.669 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)N1C[C@@H]2CCCC[C@@H]2C1)c1ccccc1 ZINC000826088846 604528250 /nfs/dbraw/zinc/52/82/50/604528250.db2.gz CZIWEOOXSIZITQ-BBWFWOEESA-N -1 0 344.455 3.670 20 0 EHADRM C/C(=C/c1ccccc1Cl)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000761977058 604542731 /nfs/dbraw/zinc/54/27/31/604542731.db2.gz FCKYQWYWSMENAK-BENRWUELSA-N -1 0 345.782 3.845 20 0 EHADRM CCC[C@H](C(=O)NCCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000262132974 604547501 /nfs/dbraw/zinc/54/75/01/604547501.db2.gz KRWQACHFWVEZCD-SFHVURJKSA-N -1 0 325.408 3.627 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2cc3cc(F)ccc3[nH]2)oc1C(=O)[O-] ZINC000832874723 604554561 /nfs/dbraw/zinc/55/45/61/604554561.db2.gz KZBYPIMIEIZFPK-SECBINFHSA-N -1 0 331.299 3.825 20 0 EHADRM CC1=C(C(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)CCCO1 ZINC000833575846 604560435 /nfs/dbraw/zinc/56/04/35/604560435.db2.gz NFHLCHWMKBPBJK-QGZVFWFLSA-N -1 0 345.439 3.701 20 0 EHADRM C[C@@H](C(=O)N1CCC[C@@H]1CC(=O)[O-])c1c(Cl)cccc1Cl ZINC000653646626 604561555 /nfs/dbraw/zinc/56/15/55/604561555.db2.gz JZOPNAZDTYOPHU-NXEZZACHSA-N -1 0 330.211 3.563 20 0 EHADRM Cc1cc([C@H](C)OC(=O)Cc2c(C)[nH]c3ccccc32)oc1C(=O)[O-] ZINC000832872397 604562554 /nfs/dbraw/zinc/56/25/54/604562554.db2.gz PGEAIVBOIAWYRL-LBPRGKRZSA-N -1 0 341.363 3.923 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccc(F)cc2OC2CCCC2)C1 ZINC000683339508 604563139 /nfs/dbraw/zinc/56/31/39/604563139.db2.gz PVBSNEUDWWQWQP-CHWSQXEVSA-N -1 0 349.402 3.977 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2cc3c(cccc3F)[nH]2)oc1C(=O)[O-] ZINC000832877373 604565121 /nfs/dbraw/zinc/56/51/21/604565121.db2.gz XSKJKWRZZQGLFC-SECBINFHSA-N -1 0 331.299 3.825 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2cc(-c3ccccc3)no2)oc1C(=O)[O-] ZINC000832875308 604567246 /nfs/dbraw/zinc/56/72/46/604567246.db2.gz NJUWSZSAFAKOMT-NSHDSACASA-N -1 0 341.319 3.859 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@@H]1CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000262840018 604567550 /nfs/dbraw/zinc/56/75/50/604567550.db2.gz CDTNDHKASZJRTE-BXUZGUMPSA-N -1 0 343.345 3.665 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)CSc1cc(Cl)ccc1Cl ZINC000042161122 604570866 /nfs/dbraw/zinc/57/08/66/604570866.db2.gz DULGWOQTEQYEHP-JTQLQIEISA-N -1 0 348.251 3.551 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@H]1CC(=O)[O-])c1ccccc1C(F)(F)F ZINC000262821054 604574463 /nfs/dbraw/zinc/57/44/63/604574463.db2.gz ANNIGEDYBGIPQS-NEPJUHHUSA-N -1 0 343.345 3.665 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2csc(CC(C)C)n2)oc1C(=O)[O-] ZINC000832876900 604576121 /nfs/dbraw/zinc/57/61/21/604576121.db2.gz YUFJWDCCPRTDDC-SNVBAGLBSA-N -1 0 337.397 3.859 20 0 EHADRM C/C(=C\C(=O)N1CCC[C@@H]1CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000825717232 604577613 /nfs/dbraw/zinc/57/76/13/604577613.db2.gz TXIYHPJGEQMING-BMGYJQCNSA-N -1 0 341.329 3.574 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)Cc2c[nH]c3cccc(C)c23)oc1C(=O)[O-] ZINC000832870718 604581381 /nfs/dbraw/zinc/58/13/81/604581381.db2.gz CLQKQNYBNLWUML-GFCCVEGCSA-N -1 0 341.363 3.923 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000263070527 604584452 /nfs/dbraw/zinc/58/44/52/604584452.db2.gz YCZTUTCVPACXAZ-QJPTWQEYSA-N -1 0 342.222 3.563 20 0 EHADRM CC[C@H](Nc1ccccc1)C(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000828999077 604584839 /nfs/dbraw/zinc/58/48/39/604584839.db2.gz PIYXPOWKEPQFGN-OCCSQVGLSA-N -1 0 331.368 3.781 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)CCCc2csc(C)n2)oc1C(=O)[O-] ZINC000832998327 604596451 /nfs/dbraw/zinc/59/64/51/604596451.db2.gz OBKXACSGCOQZBY-SNVBAGLBSA-N -1 0 337.397 3.678 20 0 EHADRM CC(C)Oc1cccc(CN(C)C(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC000833507640 604597784 /nfs/dbraw/zinc/59/77/84/604597784.db2.gz ZBAJHRZOVNQWTE-UHFFFAOYSA-N -1 0 348.424 3.897 20 0 EHADRM CC(=O)c1cccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000825960142 604603173 /nfs/dbraw/zinc/60/31/73/604603173.db2.gz DVBFQXKRYQQLSK-OAHLLOKOSA-N -1 0 332.739 3.525 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000830249540 604613849 /nfs/dbraw/zinc/61/38/49/604613849.db2.gz ISOZAPPNFDEVGG-GFCCVEGCSA-N -1 0 338.835 3.936 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)cc1 ZINC000833290348 604621836 /nfs/dbraw/zinc/62/18/36/604621836.db2.gz RVZIGNRVIZNKKP-GVDBMIGSSA-N -1 0 337.379 3.626 20 0 EHADRM Cc1nc(C)c(-c2csc(-c3cccc(CNC(=O)[O-])c3)n2)o1 ZINC000830709057 604635290 /nfs/dbraw/zinc/63/52/90/604635290.db2.gz FVJNSIJUBRQMFX-UHFFFAOYSA-N -1 0 329.381 3.850 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)Nc1ccccc1CCC(F)(F)F ZINC000833214699 604636803 /nfs/dbraw/zinc/63/68/03/604636803.db2.gz VPVHSTRXIDUJFO-GFCCVEGCSA-N -1 0 344.333 3.653 20 0 EHADRM COc1cccc(CN2Cc3ccc(C(=O)[O-])cc3C2)c1OC(C)C ZINC000833735661 604637411 /nfs/dbraw/zinc/63/74/11/604637411.db2.gz RSRUNJYNXPJMAR-UHFFFAOYSA-N -1 0 341.407 3.696 20 0 EHADRM Cc1cc(N(C)C)ccc1NCc1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000832887892 604642558 /nfs/dbraw/zinc/64/25/58/604642558.db2.gz ASHFFKNOOKVLEJ-UHFFFAOYSA-N -1 0 342.439 3.753 20 0 EHADRM CCC(CC)n1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])n1 ZINC000828870355 604645787 /nfs/dbraw/zinc/64/57/87/604645787.db2.gz OTXQOBMODQEDQV-UHFFFAOYSA-N -1 0 335.791 3.848 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1nc(C)c2ccccc2n1 ZINC000581895575 604649443 /nfs/dbraw/zinc/64/94/43/604649443.db2.gz JOZJEGRODIZQLB-LJQANCHMSA-N -1 0 349.434 3.976 20 0 EHADRM O=C([O-])c1ncccc1OCc1csc(-c2ccc(F)cc2)n1 ZINC000833344914 604649827 /nfs/dbraw/zinc/64/98/27/604649827.db2.gz LPCPFSRAUSRIHD-UHFFFAOYSA-N -1 0 330.340 3.621 20 0 EHADRM O=C([O-])c1cccc(CN2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)c1 ZINC000422590904 604653767 /nfs/dbraw/zinc/65/37/67/604653767.db2.gz NMZHJACCUNHEEQ-KRWDZBQOSA-N -1 0 348.406 3.507 20 0 EHADRM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000832855999 604665811 /nfs/dbraw/zinc/66/58/11/604665811.db2.gz LCEQWGKZLDZLQK-GJZGRUSLSA-N -1 0 332.444 3.531 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@H]1CC(=O)[O-])c1ccc2ccccc2c1 ZINC000827653504 604672841 /nfs/dbraw/zinc/67/28/41/604672841.db2.gz PDTAJDBZLVRGPT-GUYCJALGSA-N -1 0 326.396 3.550 20 0 EHADRM CC(C)CC[C@@H]1CCCN1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000826845271 604685955 /nfs/dbraw/zinc/68/59/55/604685955.db2.gz SOQRLNKFRHADCW-KRWDZBQOSA-N -1 0 347.459 3.929 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)N1CCC[C@@H]1CC(=O)[O-])C(C)(C)C ZINC000832981294 604688726 /nfs/dbraw/zinc/68/87/26/604688726.db2.gz FYXFAYLNVRRYQH-PBHICJAKSA-N -1 0 332.444 3.731 20 0 EHADRM CN(C(=O)[O-])c1ccccc1C(=O)OCc1cc2ccccc2o1 ZINC000830519450 604690380 /nfs/dbraw/zinc/69/03/80/604690380.db2.gz ROYWAUQRAOAPGC-UHFFFAOYSA-N -1 0 325.320 3.904 20 0 EHADRM CN(C(=O)C(c1ccccc1)c1ccccc1)C1(C(=O)[O-])CCCC1 ZINC000830457224 604717437 /nfs/dbraw/zinc/71/74/37/604717437.db2.gz JRNSTBWKQCTAIR-UHFFFAOYSA-N -1 0 337.419 3.674 20 0 EHADRM CCc1cccc(C)c1NC(=O)C[C@@H](C)C1CCN(C(=O)[O-])CC1 ZINC000827593417 604734116 /nfs/dbraw/zinc/73/41/16/604734116.db2.gz BWBDFSALMBDFHN-CQSZACIVSA-N -1 0 332.444 3.912 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000262720325 604742632 /nfs/dbraw/zinc/74/26/32/604742632.db2.gz DROMGHDYZGSJMO-RFGFWPKPSA-N -1 0 333.403 3.551 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000262777763 604749640 /nfs/dbraw/zinc/74/96/40/604749640.db2.gz LYQAHVJCLZAVLZ-QAPCUYQASA-N -1 0 337.419 3.722 20 0 EHADRM CC(C)(CNC(=O)CCc1ccccc1C(=O)[O-])Cc1ccccc1 ZINC000262094706 604751283 /nfs/dbraw/zinc/75/12/83/604751283.db2.gz GVJXGCTVGNWPFR-UHFFFAOYSA-N -1 0 339.435 3.703 20 0 EHADRM C[C@H](Sc1nnc(Cc2ccccc2)n1C1CCCCC1)C(=O)[O-] ZINC000827928497 604752887 /nfs/dbraw/zinc/75/28/87/604752887.db2.gz HRFUKMHUHMTIDW-ZDUSSCGKSA-N -1 0 345.468 3.939 20 0 EHADRM C[C@@H](Oc1ccc(CN(CC2CCC2)CC(F)(F)F)cc1)C(=O)[O-] ZINC000833538194 604756944 /nfs/dbraw/zinc/75/69/44/604756944.db2.gz RMQVRYMWTMGPGY-GFCCVEGCSA-N -1 0 345.361 3.703 20 0 EHADRM C[C@H](SCc1ccc(C(=O)[O-])cc1F)C(=O)NC1CCCCC1 ZINC000833542483 604757392 /nfs/dbraw/zinc/75/73/92/604757392.db2.gz JSMOOMBJJXZHMR-NSHDSACASA-N -1 0 339.432 3.595 20 0 EHADRM C[C@H]1CC[C@H](CC(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)C1 ZINC000828221205 604790274 /nfs/dbraw/zinc/79/02/74/604790274.db2.gz JQHHEHWUORWQIV-GJZGRUSLSA-N -1 0 344.455 3.614 20 0 EHADRM O=C([O-])c1cccc(-c2noc([C@H]3CCCc4sccc43)n2)c1 ZINC000322626788 604796439 /nfs/dbraw/zinc/79/64/39/604796439.db2.gz UFFFRZPHQYGPHX-ZDUSSCGKSA-N -1 0 326.377 3.965 20 0 EHADRM Cc1cccc(-c2cncc(C(=O)Nc3ccc(CC(=O)[O-])cc3)c2)c1 ZINC000762000281 604807358 /nfs/dbraw/zinc/80/73/58/604807358.db2.gz MTMYPEYEQNDSHE-UHFFFAOYSA-N -1 0 346.386 3.936 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1F ZINC000833158482 604807366 /nfs/dbraw/zinc/80/73/66/604807366.db2.gz JNTCCLRFFJIGAX-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM C[C@@H](CSCc1ccccc1)C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC000827581578 604811525 /nfs/dbraw/zinc/81/15/25/604811525.db2.gz OYZHGLRDLUJKTI-AWEZNQCLSA-N -1 0 344.432 3.789 20 0 EHADRM CCOCc1cccc(NC(=O)C[C@@H](C)C2CCN(C(=O)[O-])CC2)c1 ZINC000827408202 604811553 /nfs/dbraw/zinc/81/15/53/604811553.db2.gz FAEWDHBAUQUDHI-CQSZACIVSA-N -1 0 348.443 3.578 20 0 EHADRM C[C@H](CC(=O)N1CCc2ccc(C(=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000262229197 604812709 /nfs/dbraw/zinc/81/27/09/604812709.db2.gz SDZBTEMAYLIEDL-CYBMUJFWSA-N -1 0 341.382 3.602 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000777378112 604815364 /nfs/dbraw/zinc/81/53/64/604815364.db2.gz OWOWMCALGCLZAP-RAXLEYEMSA-N -1 0 339.366 3.512 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CC3(CCCC3)c3ccccc32)cc1F ZINC000833308560 604830225 /nfs/dbraw/zinc/83/02/25/604830225.db2.gz BCGJMTLDZODMAA-UHFFFAOYSA-N -1 0 339.366 3.996 20 0 EHADRM Cc1cccc(C2=CCN(C(=O)C3CCC(C(=O)[O-])CC3)CC2)c1 ZINC000194444535 604832749 /nfs/dbraw/zinc/83/27/49/604832749.db2.gz IFHFGTDKRWXTFT-UHFFFAOYSA-N -1 0 327.424 3.502 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)Cc2ccccc21 ZINC000833559936 604842723 /nfs/dbraw/zinc/84/27/23/604842723.db2.gz GXBQXJULGOLABK-UHFFFAOYSA-N -1 0 342.370 3.849 20 0 EHADRM C[C@H](OC(=O)Cc1cccc(C(=O)[O-])c1)c1c(F)cc(F)cc1F ZINC000833533691 604842785 /nfs/dbraw/zinc/84/27/85/604842785.db2.gz ZEJIYGCDCWMNDK-VIFPVBQESA-N -1 0 338.281 3.649 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2ccc(Cl)s2)cc1Cl ZINC000237964727 604852812 /nfs/dbraw/zinc/85/28/12/604852812.db2.gz HIXSXISFUUOQHQ-UHFFFAOYSA-N -1 0 346.191 3.771 20 0 EHADRM Cc1cc(C)cc(CCC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000190497927 604857845 /nfs/dbraw/zinc/85/78/45/604857845.db2.gz BSBUTWDHAJWQFW-GOSISDBHSA-N -1 0 343.398 3.707 20 0 EHADRM C[C@H](CC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21)c1cccc(F)c1 ZINC000669435178 604860089 /nfs/dbraw/zinc/86/00/89/604860089.db2.gz XBXOKSXCQUBWJQ-DYVFJYSZSA-N -1 0 341.382 3.924 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000013223936 604863313 /nfs/dbraw/zinc/86/33/13/604863313.db2.gz NNANVJKAIQBKPL-CQSZACIVSA-N -1 0 337.297 3.651 20 0 EHADRM Cc1ccc(C)c(SCC(=O)N[C@H](CC(=O)[O-])c2ccccc2)c1 ZINC000013223912 604863584 /nfs/dbraw/zinc/86/35/84/604863584.db2.gz IZKAFCPATZQTBU-MRXNPFEDSA-N -1 0 343.448 3.728 20 0 EHADRM Cc1ccc(Cl)c(NC(=O)N2CCC[C@H](CN(C)C(=O)[O-])C2)c1 ZINC000830323081 604864246 /nfs/dbraw/zinc/86/42/46/604864246.db2.gz BXHPKFCLZKCGDZ-GFCCVEGCSA-N -1 0 339.823 3.502 20 0 EHADRM Cc1cnc(CNc2ccc(C(=O)[O-])cc2OCC(F)(F)F)s1 ZINC000833754400 604871939 /nfs/dbraw/zinc/87/19/39/604871939.db2.gz YPZJUNHSTUZJRJ-UHFFFAOYSA-N -1 0 346.330 3.703 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000317339505 604872068 /nfs/dbraw/zinc/87/20/68/604872068.db2.gz XADRFYNPSCPXPD-SNVBAGLBSA-N -1 0 326.780 3.575 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(c2nc(-c3ccccc3)ns2)C1 ZINC000649405385 604872795 /nfs/dbraw/zinc/87/27/95/604872795.db2.gz UNZAFJHDJNWTTP-ZDUSSCGKSA-N -1 0 331.441 3.532 20 0 EHADRM O=C([O-])c1cnc(N(C(=O)[C@@H]2CCCc3sccc32)C2CC2)s1 ZINC000833338580 604874539 /nfs/dbraw/zinc/87/45/39/604874539.db2.gz SBUDMKHAUQGJGB-LLVKDONJSA-N -1 0 348.449 3.518 20 0 EHADRM C/C(=C/C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1)c1ccccc1 ZINC000833382014 604875509 /nfs/dbraw/zinc/87/55/09/604875509.db2.gz KPGFVFMXWMHXTN-KTKRTIGZSA-N -1 0 328.393 3.761 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)O[C@@H]1COc2ccccc21)C(=O)[O-] ZINC000833546064 604878307 /nfs/dbraw/zinc/87/83/07/604878307.db2.gz XWWVEZMQZYMYOZ-XHDPSFHLSA-N -1 0 344.388 3.542 20 0 EHADRM O=C([O-])c1ccc(C(=O)Oc2ccccc2Br)cc1F ZINC000833354246 604880412 /nfs/dbraw/zinc/88/04/12/604880412.db2.gz PKNGQNQFRJNWNG-UHFFFAOYSA-N -1 0 339.116 3.506 20 0 EHADRM Cc1ccc(C(=O)O[C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)cn1 ZINC000833747807 604882639 /nfs/dbraw/zinc/88/26/39/604882639.db2.gz KDWCCZZOBNVFMN-CYBMUJFWSA-N -1 0 339.269 3.549 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@@H]1CCCc2sccc21)c1ccc(Cl)cc1 ZINC000431814979 604882689 /nfs/dbraw/zinc/88/26/89/604882689.db2.gz QKXRPVIUDJGJNO-UKRRQHHQSA-N -1 0 349.839 3.764 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000325352690 604885388 /nfs/dbraw/zinc/88/53/88/604885388.db2.gz LHCBAHKUMSGIHL-YLFCFFPRSA-N -1 0 335.488 3.942 20 0 EHADRM C/C(=C\C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1cccc(F)c1 ZINC000777401161 604885983 /nfs/dbraw/zinc/88/59/83/604885983.db2.gz SZHYLRXOUSYBIH-VOMSXAGXSA-N -1 0 333.403 3.578 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@H]1CCCc2sccc21)c1ccc(F)cc1 ZINC000833350397 604888173 /nfs/dbraw/zinc/88/81/73/604888173.db2.gz LCSOQOPCRDFHCG-DZGCQCFKSA-N -1 0 334.368 3.676 20 0 EHADRM O=C([O-])c1ccc(C(=O)O[C@@H](C2CCCC2)C(F)(F)F)cc1F ZINC000833352330 604888599 /nfs/dbraw/zinc/88/85/99/604888599.db2.gz VXDLVCGRAJKKFJ-LBPRGKRZSA-N -1 0 334.265 3.802 20 0 EHADRM C[C@@]1(NC(=O)Cc2cccc3ccccc32)CCCC[C@@H]1C(=O)[O-] ZINC000262732330 604891500 /nfs/dbraw/zinc/89/15/00/604891500.db2.gz ICFCLYWEEFXWEI-YLJYHZDGSA-N -1 0 325.408 3.532 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)CC/C=C\c2ccccc2)C1 ZINC000679102569 604894383 /nfs/dbraw/zinc/89/43/83/604894383.db2.gz AIIFTZRPCZGHNC-ACAQERRYSA-N -1 0 329.440 3.829 20 0 EHADRM O=C([O-])c1cncc(NC(=O)CCc2ccc(Cl)cc2Cl)c1 ZINC000316082890 604896431 /nfs/dbraw/zinc/89/64/31/604896431.db2.gz IVWJRKHCPPSPAM-UHFFFAOYSA-N -1 0 339.178 3.658 20 0 EHADRM CCCOc1cccc(CCNC(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC000829541666 604897110 /nfs/dbraw/zinc/89/71/10/604897110.db2.gz TXCCRFBASMZLEJ-UHFFFAOYSA-N -1 0 348.424 3.599 20 0 EHADRM CCC(=O)c1cccc(NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000828580707 604906769 /nfs/dbraw/zinc/90/67/69/604906769.db2.gz QGZPQIAUOIVTFC-UHFFFAOYSA-N -1 0 340.379 3.641 20 0 EHADRM CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000830806432 604915589 /nfs/dbraw/zinc/91/55/89/604915589.db2.gz LYSYEPQCQRLYBC-UHFFFAOYSA-N -1 0 339.725 3.589 20 0 EHADRM C[C@@H](CC(=O)N1CCCC[C@H]1c1ccco1)C1CCN(C(=O)[O-])CC1 ZINC000824580790 604921489 /nfs/dbraw/zinc/92/14/89/604921489.db2.gz JHMHWEKKXDCLKK-HOCLYGCPSA-N -1 0 348.443 3.749 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)C[C@H](C)C2CCN(C(=O)[O-])CC2)o1 ZINC000830282288 604923321 /nfs/dbraw/zinc/92/33/21/604923321.db2.gz OPXUBCXKSNHJIA-XJKSGUPXSA-N -1 0 348.443 3.668 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000237936767 604930652 /nfs/dbraw/zinc/93/06/52/604930652.db2.gz VCPOPXYIFPCOBW-UHFFFAOYSA-N -1 0 345.826 3.776 20 0 EHADRM Cc1cc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)c(C)s1 ZINC000237675353 604935150 /nfs/dbraw/zinc/93/51/50/604935150.db2.gz YAIIVZWNLZXCGY-UHFFFAOYSA-N -1 0 331.437 3.872 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)CCc1cccs1 ZINC000237934369 604936696 /nfs/dbraw/zinc/93/66/96/604936696.db2.gz SKQIZOZAEJLULJ-UHFFFAOYSA-N -1 0 331.437 3.574 20 0 EHADRM Cc1cc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)c(F)cc1F ZINC000832860230 604937543 /nfs/dbraw/zinc/93/75/43/604937543.db2.gz IMNTYRHRZVNBNI-UHFFFAOYSA-N -1 0 347.361 3.780 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000833492262 604971169 /nfs/dbraw/zinc/97/11/69/604971169.db2.gz DNQPCMBPARAAPG-MAUKXSAKSA-N -1 0 343.467 3.702 20 0 EHADRM CCC[C@@H](C)[C@@H]1CCCN1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000829207765 604973577 /nfs/dbraw/zinc/97/35/77/604973577.db2.gz FAPDRLOSHJCICT-YPMHNXCESA-N -1 0 339.461 3.593 20 0 EHADRM CC(C)c1ccc(CNC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000326867770 604980923 /nfs/dbraw/zinc/98/09/23/604980923.db2.gz WPGRKSFXZCVJRY-KRWDZBQOSA-N -1 0 346.471 3.842 20 0 EHADRM CC1CCN(c2ccc(N[C@@H](C(=O)[O-])c3cccnc3)cc2)CC1 ZINC000828303249 604987259 /nfs/dbraw/zinc/98/72/59/604987259.db2.gz NOHHFSGOTRTPMT-GOSISDBHSA-N -1 0 325.412 3.556 20 0 EHADRM O=C([O-])CC1CCN(C(=O)Nc2cc(C(F)F)ccc2Cl)CC1 ZINC000833212998 604994055 /nfs/dbraw/zinc/99/40/55/604994055.db2.gz HTZWREBQLLNSAT-UHFFFAOYSA-N -1 0 346.761 3.996 20 0 EHADRM C[C@H]1CCc2ccccc2[C@H]1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000833617222 605009349 /nfs/dbraw/zinc/00/93/49/605009349.db2.gz OYPURSMNIFOTQQ-GTNSWQLSSA-N -1 0 327.355 3.577 20 0 EHADRM CC(C)(C)OCc1ccccc1C(=O)OCc1cc(C(=O)[O-])co1 ZINC000833445898 605019904 /nfs/dbraw/zinc/01/99/04/605019904.db2.gz SUZLXXSAKSNOFZ-UHFFFAOYSA-N -1 0 332.352 3.650 20 0 EHADRM CCC[C@@H](NC(=O)c1ccc(Oc2ccccc2Cl)nc1)C(=O)[O-] ZINC000680363722 605023290 /nfs/dbraw/zinc/02/32/90/605023290.db2.gz HLROKPJPGRWCMB-CYBMUJFWSA-N -1 0 348.786 3.510 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)N[C@@H](C(=O)[O-])c2ccccn2)cc1 ZINC000833510347 605046677 /nfs/dbraw/zinc/04/66/77/605046677.db2.gz RWYXKSAFVYEBPM-ZMBJWTFHSA-N -1 0 338.407 3.550 20 0 EHADRM C/C(=C/C(=O)OCc1ccccc1CC(=O)[O-])c1cccc(F)c1 ZINC000833383514 605055118 /nfs/dbraw/zinc/05/51/18/605055118.db2.gz ODKPLUJIDADOIH-LCYFTJDESA-N -1 0 328.339 3.600 20 0 EHADRM C/C(=C\C(=O)OCc1ccccc1CC(=O)[O-])c1cccc(F)c1 ZINC000833383518 605055301 /nfs/dbraw/zinc/05/53/01/605055301.db2.gz ODKPLUJIDADOIH-UKTHLTGXSA-N -1 0 328.339 3.600 20 0 EHADRM CCOc1ccc(CN(C(=O)C2CCC(C(=O)[O-])CC2)C(C)C)cc1 ZINC000833664505 605085307 /nfs/dbraw/zinc/08/53/07/605085307.db2.gz UTAOQKDQUJVRKB-UHFFFAOYSA-N -1 0 347.455 3.713 20 0 EHADRM CC[C@@H]1CN(C(=O)C2CCC(C(=O)[O-])CC2)CC[C@H]1c1ccccc1 ZINC000194435408 605087377 /nfs/dbraw/zinc/08/73/77/605087377.db2.gz PYNXRTDQMPJBHG-JYPHPWERSA-N -1 0 343.467 3.920 20 0 EHADRM CC[C@@H]1CN(C(=O)C2CCC(C(=O)[O-])CC2)CC[C@@H]1c1ccccc1 ZINC000194435371 605087749 /nfs/dbraw/zinc/08/77/49/605087749.db2.gz PYNXRTDQMPJBHG-HJZRJOMTSA-N -1 0 343.467 3.920 20 0 EHADRM CCC(CC)(CNC(=O)N(C)Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000424408328 605098647 /nfs/dbraw/zinc/09/86/47/605098647.db2.gz DQQDSGNVMXLZJY-UHFFFAOYSA-N -1 0 342.439 3.872 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NCc1ccccc1OC1CCCC1 ZINC000190614916 605101593 /nfs/dbraw/zinc/10/15/93/605101593.db2.gz JREVYGZAGGFLBW-UHFFFAOYSA-N -1 0 333.428 3.515 20 0 EHADRM CCCN(C(=O)C1CCC(C(=O)[O-])CC1)[C@@H]1CCc2ccccc2C1 ZINC000194430041 605103929 /nfs/dbraw/zinc/10/39/29/605103929.db2.gz ZTZTXJGFFFKJKY-FAFZWHIHSA-N -1 0 343.467 3.674 20 0 EHADRM CCCN(C(=O)C1CCC(C(=O)[O-])CC1)[C@H]1CCc2ccccc2C1 ZINC000194430057 605103940 /nfs/dbraw/zinc/10/39/40/605103940.db2.gz ZTZTXJGFFFKJKY-TVPLGVNVSA-N -1 0 343.467 3.674 20 0 EHADRM CCc1nc(NC(=O)[C@@H](CC)c2ccc(OC)cc2)sc1C(=O)[O-] ZINC000833675221 605111760 /nfs/dbraw/zinc/11/17/60/605111760.db2.gz VZLMHJCPUYKCFI-LBPRGKRZSA-N -1 0 348.424 3.545 20 0 EHADRM CC(C)(C)CN(CC(C)(C)C)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263510624 605139310 /nfs/dbraw/zinc/13/93/10/605139310.db2.gz YRFADEXMFJBEPV-UHFFFAOYSA-N -1 0 326.481 3.734 20 0 EHADRM CCOc1cc(Cl)ccc1CN[C@@H](C(=O)[O-])c1ccccc1F ZINC000833660258 605142144 /nfs/dbraw/zinc/14/21/44/605142144.db2.gz HSRLDQDSGRQZKM-MRXNPFEDSA-N -1 0 337.778 3.793 20 0 EHADRM CCC(CC)n1nc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1C ZINC000191020482 605146739 /nfs/dbraw/zinc/14/67/39/605146739.db2.gz GUTKWHTUGQMBNT-UHFFFAOYSA-N -1 0 343.427 3.822 20 0 EHADRM C[C@H]1C[C@@H](C(=O)Nc2sc3c(c2C(=O)[O-])CCCCC3)CCC1=O ZINC000833590190 605146834 /nfs/dbraw/zinc/14/68/34/605146834.db2.gz OTDDEGMFTNKJGR-QWRGUYRKSA-N -1 0 349.452 3.659 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)Nc2sc3c(c2C(=O)[O-])CCCCC3)CCC1=O ZINC000833590189 605147027 /nfs/dbraw/zinc/14/70/27/605147027.db2.gz OTDDEGMFTNKJGR-MNOVXSKESA-N -1 0 349.452 3.659 20 0 EHADRM C[C@H]1CSC(S[C@H](C(=O)[O-])c2cccc(Br)c2)=N1 ZINC000833631135 605149705 /nfs/dbraw/zinc/14/97/05/605149705.db2.gz HPBNWWDMUUGHSJ-XVKPBYJWSA-N -1 0 346.271 3.799 20 0 EHADRM CC(C)(C)C[C@@H](Sc1nnc(Cc2ccccc2F)o1)C(=O)[O-] ZINC000833429039 605154427 /nfs/dbraw/zinc/15/44/27/605154427.db2.gz GAXQCJBNJLPNHN-GFCCVEGCSA-N -1 0 338.404 3.781 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)OCc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000833607084 605164117 /nfs/dbraw/zinc/16/41/17/605164117.db2.gz YXSFNDQVPLUMHP-SMDDNHRTSA-N -1 0 345.420 3.988 20 0 EHADRM CC(C)(CCC(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000431215132 605180664 /nfs/dbraw/zinc/18/06/64/605180664.db2.gz ALTQYGUMFUDHDN-UHFFFAOYSA-N -1 0 339.435 3.802 20 0 EHADRM C[C@@H](CNc1cncc(C(=O)[O-])n1)c1c(Cl)cccc1Cl ZINC000833519857 605181891 /nfs/dbraw/zinc/18/18/91/605181891.db2.gz XMBSVGIZOMODOU-QMMMGPOBSA-N -1 0 326.183 3.697 20 0 EHADRM C[C@H]1CCC[C@@H](C(=O)OCc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000833612964 605189934 /nfs/dbraw/zinc/18/99/34/605189934.db2.gz VINCXTPEWZRZFJ-SWLSCSKDSA-N -1 0 343.379 3.909 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2cc(C3CCCCCC3)[nH]n2)CC1 ZINC000833772377 605214490 /nfs/dbraw/zinc/21/44/90/605214490.db2.gz XKCQRIUKTRSOGE-UHFFFAOYSA-N -1 0 333.432 3.677 20 0 EHADRM Cc1c(NC(=O)N2Cc3ccccc3OC[C@H]2C)cccc1C(=O)[O-] ZINC000833741759 605227102 /nfs/dbraw/zinc/22/71/02/605227102.db2.gz HFSGCCRDAFHHOH-GFCCVEGCSA-N -1 0 340.379 3.508 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000431215303 605229897 /nfs/dbraw/zinc/22/98/97/605229897.db2.gz CEYKYLNXPRSNKW-VQIMIIECSA-N -1 0 339.435 3.978 20 0 EHADRM C[C@H](Oc1ccc(CNc2ccc3c(c2)CC(C)(C)O3)cc1)C(=O)[O-] ZINC000833538798 605237023 /nfs/dbraw/zinc/23/70/23/605237023.db2.gz IJKGNFUEVITAEV-ZDUSSCGKSA-N -1 0 341.407 3.864 20 0 EHADRM CC(C)c1nccn1Cc1cccc(NC[C@@H]2CCCN2C(=O)[O-])c1 ZINC000824495047 605239059 /nfs/dbraw/zinc/23/90/59/605239059.db2.gz CRWZVBFEVCRNGE-KRWDZBQOSA-N -1 0 342.443 3.609 20 0 EHADRM CCN(Cc1cccc(NCc2nn(C)c3ccccc23)c1)C(=O)[O-] ZINC000827171659 605245705 /nfs/dbraw/zinc/24/57/05/605245705.db2.gz RDSXNKBECRLRRB-UHFFFAOYSA-N -1 0 338.411 3.685 20 0 EHADRM CN(C(=O)[O-])c1ccc(NCc2c(C3CC3)nc3sccn23)cc1 ZINC000833685116 605250911 /nfs/dbraw/zinc/25/09/11/605250911.db2.gz FIQLXMHBPQRLHK-UHFFFAOYSA-N -1 0 342.424 4.000 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000683303016 605258516 /nfs/dbraw/zinc/25/85/16/605258516.db2.gz YUOHCNRBSNMCPM-YPMHNXCESA-N -1 0 343.345 3.569 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000683303226 605261349 /nfs/dbraw/zinc/26/13/49/605261349.db2.gz QVBWCTMKEYJHIN-GFCCVEGCSA-N -1 0 344.238 3.988 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NCCCc1ccc(Cl)cc1Cl ZINC000683303707 605263052 /nfs/dbraw/zinc/26/30/52/605263052.db2.gz HZAKZJWCYMUNBW-UHFFFAOYSA-N -1 0 346.254 3.933 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(F)cc1OC1CCCC1 ZINC000683339344 605264713 /nfs/dbraw/zinc/26/47/13/605264713.db2.gz MMNZPPMSYKTQQU-UHFFFAOYSA-N -1 0 337.391 3.977 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2CCc3c2cccc3Cl)C1 ZINC000833415120 605267315 /nfs/dbraw/zinc/26/73/15/605267315.db2.gz JVVFLXFMEXIMML-IUODEOHRSA-N -1 0 349.858 3.719 20 0 EHADRM CC(C)OCc1ccc(NC(=O)CN(C(=O)[O-])c2ccccc2)cc1 ZINC000824404236 605277632 /nfs/dbraw/zinc/27/76/32/605277632.db2.gz DABUAIFQHLFNCQ-UHFFFAOYSA-N -1 0 342.395 3.735 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)CCc1ccccc1C(=O)[O-])C(F)(F)F ZINC000263560270 605294508 /nfs/dbraw/zinc/29/45/08/605294508.db2.gz BJOCNYKVHKLDGI-ZDUSSCGKSA-N -1 0 345.361 3.801 20 0 EHADRM CCC(CC)[C@H]1C[C@@H](Nc2nc(Cl)c(C(=O)[O-])s2)CCO1 ZINC000833642235 605294999 /nfs/dbraw/zinc/29/49/99/605294999.db2.gz IUCPYRSHAVUNTB-VHSXEESVSA-N -1 0 332.853 3.890 20 0 EHADRM Cc1ccc(F)c(N[C@H](C)CC(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000833749637 605300535 /nfs/dbraw/zinc/30/05/35/605300535.db2.gz QQOMUHNCXFXDPB-GFCCVEGCSA-N -1 0 330.359 3.662 20 0 EHADRM CC(C)(C)n1cnnc1S[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833452173 605334970 /nfs/dbraw/zinc/33/49/70/605334970.db2.gz OTAURMMRGQGPDQ-NSHDSACASA-N -1 0 343.811 3.744 20 0 EHADRM CC[C@H]1CN(C(=O)c2ccc(Cl)cc2Cl)CC[C@@H]1NC(=O)[O-] ZINC000833850842 605341315 /nfs/dbraw/zinc/34/13/15/605341315.db2.gz KNZJNMCRRQGPOG-ZANVPECISA-N -1 0 345.226 3.502 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)[C@H]2CCCc3sccc32)cc1 ZINC000832841846 605377051 /nfs/dbraw/zinc/37/70/51/605377051.db2.gz PLJOAUPGFLORCB-HNNXBMFYSA-N -1 0 344.436 3.617 20 0 EHADRM O=C([O-])NC1(CNC(=O)N(c2ccccc2)c2ccccc2)CCC1 ZINC000834155237 605409770 /nfs/dbraw/zinc/40/97/70/605409770.db2.gz QIBIVKIGHRWNFX-UHFFFAOYSA-N -1 0 339.395 3.725 20 0 EHADRM CC(C)(C)Sc1cc(C(=O)Nc2ccc(CC(=O)[O-])cc2)ccn1 ZINC000833448273 605420470 /nfs/dbraw/zinc/42/04/70/605420470.db2.gz VZIDMAURESHKND-UHFFFAOYSA-N -1 0 344.436 3.852 20 0 EHADRM Cc1ccc(C[C@@H](C)C(=O)Nc2ccc(OCCC(=O)[O-])cc2)cc1 ZINC000833748266 605448367 /nfs/dbraw/zinc/44/83/67/605448367.db2.gz HKRCGTCQRAKKME-OAHLLOKOSA-N -1 0 341.407 3.666 20 0 EHADRM CC(C)(C)Sc1cc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2)ccn1 ZINC000833448310 605458100 /nfs/dbraw/zinc/45/81/00/605458100.db2.gz ZJMOVZURDCNOOK-OAHLLOKOSA-N -1 0 345.420 3.955 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC000833384868 605460214 /nfs/dbraw/zinc/46/02/14/605460214.db2.gz RBEVOZUXZDMGAM-JLHYYAGUSA-N -1 0 344.436 3.901 20 0 EHADRM CCCN(C(=O)Nc1cccc(C)c1C)C1CCN(C(=O)[O-])CC1 ZINC000826880341 605539261 /nfs/dbraw/zinc/53/92/61/605539261.db2.gz ZVTGAEVPCJXURL-UHFFFAOYSA-N -1 0 333.432 3.690 20 0 EHADRM O=C([O-])N[C@@H](CC(=O)Nc1cccc2cccnc21)c1ccccc1 ZINC000832113803 605570460 /nfs/dbraw/zinc/57/04/60/605570460.db2.gz KXJLXYYUCHMRHA-INIZCTEOSA-N -1 0 335.363 3.572 20 0 EHADRM O=C([O-])N[C@@H](CC(=O)N[C@@H](c1cccs1)C1CC1)c1ccccc1 ZINC000832099765 605575310 /nfs/dbraw/zinc/57/53/10/605575310.db2.gz PPRGPLPSDMESJG-WMLDXEAASA-N -1 0 344.436 3.714 20 0 EHADRM Cc1cc(C)c(NC(=O)C[C@H](NC(=O)[O-])c2ccccc2)c(C)c1 ZINC000829991150 605595191 /nfs/dbraw/zinc/59/51/91/605595191.db2.gz OPYDUJQNNNQTGX-INIZCTEOSA-N -1 0 326.396 3.949 20 0 EHADRM CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000833638123 605615543 /nfs/dbraw/zinc/61/55/43/605615543.db2.gz KROBPHGWSACRPX-RKDXNWHRSA-N -1 0 328.206 3.768 20 0 EHADRM O=C([O-])Nc1cccc(COc2ccc(NC(=O)C3CC3)cc2)c1 ZINC000834268267 605635420 /nfs/dbraw/zinc/63/54/20/605635420.db2.gz HUIRKPXTQNJYIM-UHFFFAOYSA-N -1 0 326.352 3.704 20 0 EHADRM O=C([O-])Nc1cccc(CSc2n[nH]c(-c3ccccc3F)n2)c1 ZINC000834267839 605637816 /nfs/dbraw/zinc/63/78/16/605637816.db2.gz CCEOFNHBXOYAAZ-UHFFFAOYSA-N -1 0 344.371 3.993 20 0 EHADRM CCOc1cc(C)ccc1NC(=O)CN(C(=O)[O-])c1ccccc1 ZINC000827414060 605649232 /nfs/dbraw/zinc/64/92/32/605649232.db2.gz UIQIYEMJFCFYJM-UHFFFAOYSA-N -1 0 328.368 3.517 20 0 EHADRM O=C([O-])NC[C@H]1CCC[C@@H]1Nc1cccc(COCc2ccco2)c1 ZINC000834215686 605654258 /nfs/dbraw/zinc/65/42/58/605654258.db2.gz POHGGEVWSKCGCR-QAPCUYQASA-N -1 0 344.411 3.845 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2CCCc3ccc(F)c(F)c32)c1 ZINC000834261682 605688425 /nfs/dbraw/zinc/68/84/25/605688425.db2.gz DUTGULHNWNTOKI-UHFFFAOYSA-N -1 0 332.306 3.648 20 0 EHADRM Cc1csc(C(C)(C)NC(=O)c2ccc(NC(=O)[O-])c(C)c2)n1 ZINC000830656025 605693703 /nfs/dbraw/zinc/69/37/03/605693703.db2.gz ZMAFFVGIOFBHGL-UHFFFAOYSA-N -1 0 333.413 3.515 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000833452546 605702220 /nfs/dbraw/zinc/70/22/20/605702220.db2.gz LHMRUPMVIQXICM-UHFFFAOYSA-N -1 0 348.830 3.597 20 0 EHADRM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000833603877 605707372 /nfs/dbraw/zinc/70/73/72/605707372.db2.gz BWKHVLBTQDCRSF-ONGXEEELSA-N -1 0 330.306 3.580 20 0 EHADRM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000833606218 605713693 /nfs/dbraw/zinc/71/36/93/605713693.db2.gz OEXZGDNTVDZBNE-APPZFPTMSA-N -1 0 336.335 3.641 20 0 EHADRM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000833605916 605715735 /nfs/dbraw/zinc/71/57/35/605715735.db2.gz MRDQZYOEIGNWDU-DTWKUNHWSA-N -1 0 348.296 3.719 20 0 EHADRM Cc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2Cl)n1C ZINC000833747822 605716076 /nfs/dbraw/zinc/71/60/76/605716076.db2.gz KMYGCFWIQNKNQP-ZDUSSCGKSA-N -1 0 342.178 3.623 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N2CCC(c3ccccc3)CC2)c1 ZINC000834263636 605759039 /nfs/dbraw/zinc/75/90/39/605759039.db2.gz DFGHQPFRGPSOCW-UHFFFAOYSA-N -1 0 338.407 3.725 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)NCc2csc3ccccc23)c1 ZINC000834267268 605762564 /nfs/dbraw/zinc/76/25/64/605762564.db2.gz VCMUZCXQGITTIX-UHFFFAOYSA-N -1 0 340.404 3.850 20 0 EHADRM NC(=O)c1ccc(CSCc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000833762071 605787627 /nfs/dbraw/zinc/78/76/27/605787627.db2.gz CQTZLPPSOFTWNW-UHFFFAOYSA-N -1 0 335.812 3.571 20 0 EHADRM Cc1cc(C(=O)NCCc2csc(C(C)C)n2)ccc1NC(=O)[O-] ZINC000829949990 605808909 /nfs/dbraw/zinc/80/89/09/605808909.db2.gz GBVBODHRJGXHSJ-UHFFFAOYSA-N -1 0 347.440 3.637 20 0 EHADRM O=C([O-])c1ccc(F)c(COC(=O)c2ccc(Cl)cc2F)c1 ZINC000833781272 605809920 /nfs/dbraw/zinc/80/99/20/605809920.db2.gz XZGWLCKSMRELGP-UHFFFAOYSA-N -1 0 326.682 3.673 20 0 EHADRM CCCCc1noc([C@H](C)OC(=O)c2ccc(NC(=O)[O-])c(C)c2)n1 ZINC000826853533 605828963 /nfs/dbraw/zinc/82/89/63/605828963.db2.gz OVOUJFPNMOHRCQ-NSHDSACASA-N -1 0 347.371 3.729 20 0 EHADRM O=C([O-])NCCCCC(=O)Nc1ccc(-c2ccccc2)cc1F ZINC000834234393 605902538 /nfs/dbraw/zinc/90/25/38/605902538.db2.gz DKOGIJLQVFPHLQ-UHFFFAOYSA-N -1 0 330.359 3.869 20 0 EHADRM Cc1noc(C)c1CN[C@H](CNC(=O)[O-])c1ccc2ccccc2c1 ZINC000833931861 605973559 /nfs/dbraw/zinc/97/35/59/605973559.db2.gz HCXXLKMXKMIBJL-GOSISDBHSA-N -1 0 339.395 3.543 20 0 EHADRM Cn1c(CSCc2cccc(NC(=O)[O-])c2)nnc1C1CCC1 ZINC000833942066 605998437 /nfs/dbraw/zinc/99/84/37/605998437.db2.gz LRCRRWKBSKKOJS-UHFFFAOYSA-N -1 0 332.429 3.606 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCCCc1cccc(F)c1 ZINC000833906375 606012078 /nfs/dbraw/zinc/01/20/78/606012078.db2.gz BTDSTCMEZSGQBN-UHFFFAOYSA-N -1 0 345.374 3.978 20 0 EHADRM O=C([O-])N1CCC[C@H](Nc2cccc(COCc3ccco3)c2)CC1 ZINC000834109293 606037897 /nfs/dbraw/zinc/03/78/97/606037897.db2.gz YEPAZVNOGFLJAR-INIZCTEOSA-N -1 0 344.411 3.941 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N[C@@H](c1cccs1)C1CC1 ZINC000834273694 606044792 /nfs/dbraw/zinc/04/47/92/606044792.db2.gz YRFIYSOWQFFSKK-MRXNPFEDSA-N -1 0 330.409 3.648 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N[C@@H](CC1CC1)c1ccccc1 ZINC000834271650 606064376 /nfs/dbraw/zinc/06/43/76/606064376.db2.gz JUHCURNBKHVQGR-SFHVURJKSA-N -1 0 338.407 3.977 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N(CCC(F)(F)F)CC1CC1 ZINC000834271446 606067642 /nfs/dbraw/zinc/06/76/42/606067642.db2.gz SQUQLNNKYZAZRS-UHFFFAOYSA-N -1 0 344.333 3.510 20 0 EHADRM O=C([O-])N1CCc2cc(N[C@@H]3CC[C@H]4SCCS[C@H]34)ccc21 ZINC000834121616 606103781 /nfs/dbraw/zinc/10/37/81/606103781.db2.gz BGQJSBKIVXTJJW-BPLDGKMQSA-N -1 0 336.482 3.519 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)c1C ZINC000684735201 939037013 /nfs/dbraw/zinc/03/70/13/939037013.db2.gz IZIBXUAYRXGYJK-CXAGYDPISA-N -1 0 344.386 3.629 20 0 EHADRM CCOc1cccc(NC(=O)N[C@](CC)(C(=O)[O-])c2ccccc2)c1 ZINC000684743771 939045445 /nfs/dbraw/zinc/04/54/45/939045445.db2.gz FEFBFQJTKWZILG-IBGZPJMESA-N -1 0 342.395 3.597 20 0 EHADRM Cc1c(C(=O)NC2(C(=O)[O-])CCCCC2)sc2cccc(F)c12 ZINC000237771747 939049796 /nfs/dbraw/zinc/04/97/96/939049796.db2.gz HIFWCHNNJRALPY-UHFFFAOYSA-N -1 0 335.400 3.866 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000237838312 939050820 /nfs/dbraw/zinc/05/08/20/939050820.db2.gz RGKQPKUBCZKTNM-HNNXBMFYSA-N -1 0 343.766 3.950 20 0 EHADRM O=C([O-])[C@H](NC(=O)/C=C/c1cccc(F)c1)c1ccc2ccccc2c1 ZINC000762204964 939070931 /nfs/dbraw/zinc/07/09/31/939070931.db2.gz BXYDHDJBJMXJCE-OJLWIZQOSA-N -1 0 349.361 3.934 20 0 EHADRM Cc1cccc([C@@H](NC(=O)CC(C)(C)C(F)(F)F)C(=O)[O-])c1C ZINC000262981508 939090881 /nfs/dbraw/zinc/09/08/81/939090881.db2.gz JNQYOUQRPPJIMY-CYBMUJFWSA-N -1 0 331.334 3.524 20 0 EHADRM Cc1cccc([C@H](NC(=O)[C@H](C)c2c(F)cccc2F)C(=O)[O-])c1C ZINC000263023631 939093604 /nfs/dbraw/zinc/09/36/04/939093604.db2.gz MIBYCONBSKUTDW-PXAZEXFGSA-N -1 0 347.361 3.627 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000263166999 939106088 /nfs/dbraw/zinc/10/60/88/939106088.db2.gz QGHXMYOTOYRXCB-HZSPNIEDSA-N -1 0 349.839 3.756 20 0 EHADRM Cc1ccc2c(CC(=O)NC3(C(=O)[O-])CCCCCC3)coc2c1 ZINC000324038230 939125701 /nfs/dbraw/zinc/12/57/01/939125701.db2.gz QMEYTNSHGADVAS-UHFFFAOYSA-N -1 0 329.396 3.578 20 0 EHADRM CCC1CCC(NC(=O)c2oc3ccccc3c2C)(C(=O)[O-])CC1 ZINC000324011607 939125783 /nfs/dbraw/zinc/12/57/83/939125783.db2.gz JDJAMWYRYMBKOK-UHFFFAOYSA-N -1 0 329.396 3.895 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000324580070 939126290 /nfs/dbraw/zinc/12/62/90/939126290.db2.gz ZPWIWWFRKGTHRF-HXUWFJFHSA-N -1 0 325.408 3.714 20 0 EHADRM Cc1ccc(CCC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc1Cl ZINC000324527445 939126348 /nfs/dbraw/zinc/12/63/48/939126348.db2.gz QOMYMZDJANTOFZ-IBGZPJMESA-N -1 0 345.826 3.697 20 0 EHADRM CC(C)c1ccccc1NC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000392074190 939136783 /nfs/dbraw/zinc/13/67/83/939136783.db2.gz ZZUDINHIGDIRTC-LJQANCHMSA-N -1 0 326.396 3.932 20 0 EHADRM O=C([O-])[C@H](NC(=O)CCc1ccc2ccccc2c1)c1ccccc1 ZINC000428032324 939147274 /nfs/dbraw/zinc/14/72/74/939147274.db2.gz NXUZOOICTPOHBX-HXUWFJFHSA-N -1 0 333.387 3.715 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1ccc(Cl)cc1)c1cc(F)ccc1F ZINC000788315366 939148452 /nfs/dbraw/zinc/14/84/52/939148452.db2.gz QYLHYARXLWHBOR-CYBMUJFWSA-N -1 0 340.713 3.566 20 0 EHADRM O=C([O-])C1(NC(=O)CCCc2ccc3ccccc3c2)CCCC1 ZINC000431197502 939149478 /nfs/dbraw/zinc/14/94/78/939149478.db2.gz KNKGDFLWWCNCBY-UHFFFAOYSA-N -1 0 325.408 3.676 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1ccccc1Cl)c1cc(F)ccc1F ZINC000788320140 939149923 /nfs/dbraw/zinc/14/99/23/939149923.db2.gz MGNIWOGAXRTOBS-ZDUSSCGKSA-N -1 0 340.713 3.566 20 0 EHADRM O=C([O-])C1(NC(=O)CCCc2ccc3c(c2)-c2ccccc2C3)CCC1 ZINC000431772900 939153641 /nfs/dbraw/zinc/15/36/41/939153641.db2.gz NGKKNIOFPGRZON-UHFFFAOYSA-N -1 0 349.430 3.704 20 0 EHADRM Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)cc1F ZINC000431867200 939164836 /nfs/dbraw/zinc/16/48/36/939164836.db2.gz YGIZVZGCKCJERL-SFHVURJKSA-N -1 0 337.350 3.843 20 0 EHADRM CC(C)c1ccc(SCC(=O)N[C@@H](C(=O)[O-])c2cccs2)cc1 ZINC000448987502 939205274 /nfs/dbraw/zinc/20/52/74/939205274.db2.gz BIAZLSZXHDDMPW-MRXNPFEDSA-N -1 0 349.477 3.906 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC000448998020 939206774 /nfs/dbraw/zinc/20/67/74/939206774.db2.gz VJVJZTIKCWQOLQ-QMTHXVAHSA-N -1 0 337.828 3.522 20 0 EHADRM C[C@H](CCc1ccc(F)cc1)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000864114849 939246695 /nfs/dbraw/zinc/24/66/95/939246695.db2.gz FQPJUIHPGLUMLS-JLTOFOAXSA-N -1 0 343.398 3.511 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2cccc(CCC(F)(F)F)c2)CCCC1 ZINC000519660558 939252820 /nfs/dbraw/zinc/25/28/20/939252820.db2.gz MHQHUJFSJJEFDP-UHFFFAOYSA-N -1 0 344.333 3.700 20 0 EHADRM CSCCCCCCC(=O)N[C@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC000864149889 939252988 /nfs/dbraw/zinc/25/29/88/939252988.db2.gz YTZQVSOYDGBWEH-KRWDZBQOSA-N -1 0 341.448 3.555 20 0 EHADRM CSCCCCCCC(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC000864148387 939253025 /nfs/dbraw/zinc/25/30/25/939253025.db2.gz VEECGKHDTRBHEJ-INIZCTEOSA-N -1 0 341.448 3.690 20 0 EHADRM CC(=O)N[C@@H](C(=O)[O-])c1cccc(-c2cccc(COC(C)C)c2)c1 ZINC000864608686 939259320 /nfs/dbraw/zinc/25/93/20/939259320.db2.gz LFDWZSUWWXDYTR-LJQANCHMSA-N -1 0 341.407 3.540 20 0 EHADRM CC[C@@](NC(=O)Nc1ccc(OC)cc1C)(C(=O)[O-])c1ccccc1 ZINC000900328916 939274684 /nfs/dbraw/zinc/27/46/84/939274684.db2.gz XUYYFTZNMLBTCB-IBGZPJMESA-N -1 0 342.395 3.515 20 0 EHADRM COc1ccc(NC(=O)N[C@H](C(=O)[O-])c2cccc(C)c2C)c(C)c1 ZINC000900327824 939274788 /nfs/dbraw/zinc/27/47/88/939274788.db2.gz BEMGXOHYFDPNNV-KRWDZBQOSA-N -1 0 342.395 3.568 20 0 EHADRM CCN(C(=O)N[C@@H](C(=O)[O-])c1c(Cl)cccc1Cl)C(C)C ZINC000548266800 939296083 /nfs/dbraw/zinc/29/60/83/939296083.db2.gz HDGWBUIEXPSONO-GFCCVEGCSA-N -1 0 333.215 3.559 20 0 EHADRM CC[C@@H](NC(=O)N[C@@H](C(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC000554599904 939300459 /nfs/dbraw/zinc/30/04/59/939300459.db2.gz JPTJUAGSUZBXCP-HZPDHXFCSA-N -1 0 346.814 3.916 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)N[C@@H](C(=O)[O-])c2ccsc2)c1C ZINC000562458243 939331359 /nfs/dbraw/zinc/33/13/59/939331359.db2.gz QNUXVGJNOMCQBV-IUODEOHRSA-N -1 0 332.425 3.551 20 0 EHADRM Cc1cc(C)cc([C@@H](NC(=O)Nc2cccc(C)c2C)C(=O)[O-])c1 ZINC000564155226 939343295 /nfs/dbraw/zinc/34/32/95/939343295.db2.gz LCWVJPXVABKJAE-QGZVFWFLSA-N -1 0 326.396 3.868 20 0 EHADRM CSc1ccc(NC(=O)NC2(C(=O)[O-])CCCCC2)cc1Cl ZINC000566992474 939358958 /nfs/dbraw/zinc/35/89/58/939358958.db2.gz LDBWUVIZDRPJJZ-UHFFFAOYSA-N -1 0 342.848 3.971 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CC[C@H]1CCc2ccccc21)c1cccs1 ZINC000909638863 939724797 /nfs/dbraw/zinc/72/47/97/939724797.db2.gz SFDQVXXSGGUBEZ-DYVFJYSZSA-N -1 0 329.421 3.500 20 0 EHADRM CC[C@@](NC(=O)Nc1ccc(Cl)cc1)(C(=O)[O-])c1ccccc1 ZINC000574437366 939726691 /nfs/dbraw/zinc/72/66/91/939726691.db2.gz FFHAINALBLHZDR-KRWDZBQOSA-N -1 0 332.787 3.852 20 0 EHADRM CC1(C)CCC[C@](NC(=O)c2cscc2C(F)F)(C(=O)[O-])C1 ZINC000910215834 939753440 /nfs/dbraw/zinc/75/34/40/939753440.db2.gz WYORWPUDPHBVTM-OAHLLOKOSA-N -1 0 331.384 3.839 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)N[C@H](C(=O)[O-])c1ccsc1 ZINC000579860530 939765917 /nfs/dbraw/zinc/76/59/17/939765917.db2.gz LDSPZGQFFJOCNS-PXAZEXFGSA-N -1 0 347.436 3.583 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CCCC12CC2)c1ccc(C(F)(F)F)cc1 ZINC000911061300 939768036 /nfs/dbraw/zinc/76/80/36/939768036.db2.gz JCIGGBPADQYJEY-STQMWFEESA-N -1 0 341.329 3.528 20 0 EHADRM CCC[C@H](C(=O)N[C@H](C(=O)[O-])c1ccccn1)c1cccc(Cl)c1 ZINC000911482675 939774152 /nfs/dbraw/zinc/77/41/52/939774152.db2.gz FLXIMTYIOCTSRO-HOCLYGCPSA-N -1 0 346.814 3.561 20 0 EHADRM CSCc1cccc(NC(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)c1 ZINC000594669527 939802015 /nfs/dbraw/zinc/80/20/15/939802015.db2.gz DTRCQGLDDJNCJT-QASKLWRZSA-N -1 0 336.457 3.705 20 0 EHADRM CC[C@](NC(=O)C[C@@H](C)c1ccco1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000630172447 939813988 /nfs/dbraw/zinc/81/39/88/939813988.db2.gz IPOCGOUEOMLYII-KZULUSFZSA-N -1 0 349.814 3.933 20 0 EHADRM CC[C@](NC(=O)C[C@H](C)c1ccco1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000630172446 939814015 /nfs/dbraw/zinc/81/40/15/939814015.db2.gz IPOCGOUEOMLYII-KPZWWZAWSA-N -1 0 349.814 3.933 20 0 EHADRM CCC[C@@H](C(=O)N[C@@H](C(=O)[O-])c1cc(C)cc(C)c1)c1ccccn1 ZINC000630193052 939816794 /nfs/dbraw/zinc/81/67/94/939816794.db2.gz ZXDRXAWAUXGTEH-SJLPKXTDSA-N -1 0 340.423 3.524 20 0 EHADRM CCC[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(C)c(C)c1)c1ccccn1 ZINC000630201079 939817291 /nfs/dbraw/zinc/81/72/91/939817291.db2.gz JITIKTFQMQHSGU-SJLPKXTDSA-N -1 0 340.423 3.524 20 0 EHADRM Cc1coc(-c2cc(NC(=O)[C@@H](C(=O)[O-])C3CCCC3)ccc2C)n1 ZINC000663116466 939856678 /nfs/dbraw/zinc/85/66/78/939856678.db2.gz IDGYQDXFMNUZQR-INIZCTEOSA-N -1 0 342.395 3.788 20 0 EHADRM O=C([O-])[C@@H](NC(=O)NC1CCC(C2CCC2)CC1)c1cccs1 ZINC000663270370 939859655 /nfs/dbraw/zinc/85/96/55/939859655.db2.gz YJQZCEOTNQDPSM-PIMMBPRGSA-N -1 0 336.457 3.532 20 0 EHADRM O=C([O-])[C@]1(NC(=O)C[C@H]2CCCc3ccccc32)CCc2ccccc21 ZINC000675990753 939867501 /nfs/dbraw/zinc/86/75/01/939867501.db2.gz KJCHNNQYGDQDRV-VGSWGCGISA-N -1 0 349.430 3.539 20 0 EHADRM C[C@H](NC(=O)N[C@@H](C(=O)[O-])C1CCCCC1)c1cc2ccccc2o1 ZINC000679539313 939869744 /nfs/dbraw/zinc/86/97/44/939869744.db2.gz BZBLJRHGCQTHFE-YVEFUNNKSA-N -1 0 344.411 3.827 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000683306517 939870240 /nfs/dbraw/zinc/87/02/40/939870240.db2.gz DINZZBYIJJVNQP-HRAATJIYSA-N -1 0 339.435 3.762 20 0 EHADRM C[C@](NC(=O)c1cccc(-c2ccoc2)c1)(C(=O)[O-])c1ccccc1 ZINC000683306895 939870317 /nfs/dbraw/zinc/87/03/17/939870317.db2.gz GWUIIJXEYHUKQV-HXUWFJFHSA-N -1 0 335.359 3.676 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ccccc1F ZINC000683318023 939870886 /nfs/dbraw/zinc/87/08/86/939870886.db2.gz DWEPOLIUBSZXTB-WBOJAVRRSA-N -1 0 333.403 3.674 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC000683319676 939871046 /nfs/dbraw/zinc/87/10/46/939871046.db2.gz RMJCSVOGDHOHEI-ZBEGNZNMSA-N -1 0 349.789 3.600 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)N[C@H](C(=O)[O-])c2cccc(C)c2C)cc1 ZINC000684717932 939871969 /nfs/dbraw/zinc/87/19/69/939871969.db2.gz KBBHUMWNNQSWCX-QAPCUYQASA-N -1 0 340.423 3.798 20 0 EHADRM Cc1c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cccc1C(=O)[O-] ZINC000321646676 970792837 /nfs/dbraw/zinc/79/28/37/970792837.db2.gz QCBMIMZIXHDVGP-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM O=C([O-])[C@@H]1CCCCCN1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000321686333 970796896 /nfs/dbraw/zinc/79/68/96/970796896.db2.gz XXMWOPJNYRXYNA-HNNXBMFYSA-N -1 0 334.803 3.824 20 0 EHADRM CC(C)CCCCCCNC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000322695995 970920192 /nfs/dbraw/zinc/92/01/92/970920192.db2.gz LYMJJCZKPNIXGL-MRXNPFEDSA-N -1 0 326.481 3.879 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](c2nc(Cc3ccc(F)cc3Cl)no2)C1 ZINC000323396463 970999127 /nfs/dbraw/zinc/99/91/27/970999127.db2.gz MCNHWZAUCRBLCG-GHMZBOCLSA-N -1 0 338.766 3.811 20 0 EHADRM C[C@H]1CCC[C@H](NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC000323563864 971016241 /nfs/dbraw/zinc/01/62/41/971016241.db2.gz IXCQHSFRSBLRLD-UWVGGRQHSA-N -1 0 326.343 3.753 20 0 EHADRM Cc1ccc(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)c(Cl)c1 ZINC000324076982 971080698 /nfs/dbraw/zinc/08/06/98/971080698.db2.gz FWDBPOIKFBOKFB-UHFFFAOYSA-N -1 0 329.783 3.545 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)CCCOc1ccc(F)cc1 ZINC000324104044 971084693 /nfs/dbraw/zinc/08/46/93/971084693.db2.gz LZOOWXJBYOZNEA-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2cccc3c2CCCCC3)C1 ZINC001601977370 971102463 /nfs/dbraw/zinc/10/24/63/971102463.db2.gz YMNLIBYFPYQRKP-OAHLLOKOSA-N -1 0 329.440 3.673 20 0 EHADRM COc1ccc(C(=O)[O-])c(OCc2nc(-c3cccs3)oc2C)c1 ZINC000324359174 971112177 /nfs/dbraw/zinc/11/21/77/971112177.db2.gz HEXITRICRLLLMI-UHFFFAOYSA-N -1 0 345.376 3.997 20 0 EHADRM CCOc1ccc(SCC(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000324315605 971108138 /nfs/dbraw/zinc/10/81/38/971108138.db2.gz SJWSQVQZOQCUDU-UHFFFAOYSA-N -1 0 349.383 3.653 20 0 EHADRM O=C([O-])c1ccc(CS(=O)(=O)c2cccc3ccccc32)cc1 ZINC001602356657 971190296 /nfs/dbraw/zinc/19/02/96/971190296.db2.gz GSCXICNRTWPYKD-UHFFFAOYSA-N -1 0 326.373 3.512 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC000325253558 971198394 /nfs/dbraw/zinc/19/83/94/971198394.db2.gz LNEZHKLNGGSTJC-IXDOHACOSA-N -1 0 329.440 3.650 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)N(C)Cc2cccc(Cl)c2)c1 ZINC000325423176 971214846 /nfs/dbraw/zinc/21/48/46/971214846.db2.gz XJOBYPDPBORXEA-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000325482700 971219933 /nfs/dbraw/zinc/21/99/33/971219933.db2.gz IIDXJQCRADENES-JKSUJKDBSA-N -1 0 330.428 3.748 20 0 EHADRM Cc1ccc(F)c(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1F ZINC000325642445 971232923 /nfs/dbraw/zinc/23/29/23/971232923.db2.gz WUVXHCUSYKBIQN-UHFFFAOYSA-N -1 0 333.334 3.888 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)Nc2cc(Cl)ccc2F)Cc2ccccc21 ZINC000325706337 971237250 /nfs/dbraw/zinc/23/72/50/971237250.db2.gz RHEWGCRDLHEVQO-ZDUSSCGKSA-N -1 0 348.761 3.695 20 0 EHADRM COc1ccc(NC(=O)CCc2ccc(C)c(Cl)c2)c(C(=O)[O-])c1 ZINC000325822086 971246152 /nfs/dbraw/zinc/24/61/52/971246152.db2.gz UJGMJXFLMIQQEU-UHFFFAOYSA-N -1 0 347.798 3.927 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)/C=C\c1ccc(Cl)cc1)C2 ZINC000326003552 971260883 /nfs/dbraw/zinc/26/08/83/971260883.db2.gz JMAZSZFDXJWROJ-TWGQIWQCSA-N -1 0 341.794 3.636 20 0 EHADRM CC(C)(C)c1cc(C(=O)N(CC(=O)[O-])c2ccccc2)cc(Cl)n1 ZINC000326351277 971284695 /nfs/dbraw/zinc/28/46/95/971284695.db2.gz FALALMBKCMCGPT-UHFFFAOYSA-N -1 0 346.814 3.764 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)c2ccccc2OC(F)F)c1F ZINC000326806014 971329224 /nfs/dbraw/zinc/32/92/24/971329224.db2.gz CHESGAYTPBHRGX-UHFFFAOYSA-N -1 0 343.232 3.517 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccccc2C(F)(F)F)c2ccccc21 ZINC000327045732 971360041 /nfs/dbraw/zinc/36/00/41/971360041.db2.gz OGNSCNIYSYQMNB-GFCCVEGCSA-N -1 0 349.308 3.924 20 0 EHADRM CC(C)Oc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000327381778 971394293 /nfs/dbraw/zinc/39/42/93/971394293.db2.gz ONVZZCRGACEVMA-QGZVFWFLSA-N -1 0 339.391 3.693 20 0 EHADRM C/C(=C\c1c(Cl)cccc1Cl)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001602736201 971422210 /nfs/dbraw/zinc/42/22/10/971422210.db2.gz KCKHNKIARPTHHV-UQSGXBNBSA-N -1 0 342.222 3.720 20 0 EHADRM C[C@@H](NC(=O)Cc1ccccc1C(=O)[O-])c1cccc2ccccc21 ZINC000327927678 971434750 /nfs/dbraw/zinc/43/47/50/971434750.db2.gz FIHKQHDZKQOTQJ-CQSZACIVSA-N -1 0 333.387 3.958 20 0 EHADRM Cc1cc(-c2noc([C@H]3CCC[C@H](C(=O)[O-])C3)n2)nc2ccccc12 ZINC000328005454 971440507 /nfs/dbraw/zinc/44/05/07/971440507.db2.gz KAPUDCSAZLJBJO-STQMWFEESA-N -1 0 337.379 3.952 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)ccc2[nH]1 ZINC000328096435 971446119 /nfs/dbraw/zinc/44/61/19/971446119.db2.gz ZWMKFDRIEYHANK-VXGBXAGGSA-N -1 0 343.427 3.690 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)NCc3ccc(C(=O)[O-])cc3)cc2C1 ZINC000013092342 948775800 /nfs/dbraw/zinc/77/58/00/948775800.db2.gz HMLJBOFDXFNAQQ-LLVKDONJSA-N -1 0 329.421 3.501 20 0 EHADRM Cc1cc(Br)ccc1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000013411643 948782117 /nfs/dbraw/zinc/78/21/17/948782117.db2.gz LJRYCNZYBXZKTE-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)NCC1(C(=O)[O-])CCC1 ZINC001589561107 948809207 /nfs/dbraw/zinc/80/92/07/948809207.db2.gz HGCHCVJWQVHVLR-QGZVFWFLSA-N -1 0 346.471 3.603 20 0 EHADRM Cc1ccc(NCc2cn(C)nc2-c2cccs2)cc1C(=O)[O-] ZINC000340670851 971517772 /nfs/dbraw/zinc/51/77/72/971517772.db2.gz DGCAHRMASBDXBR-UHFFFAOYSA-N -1 0 327.409 3.767 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2cc3cc(F)ccc3[nH]2)c1 ZINC000344046054 971519187 /nfs/dbraw/zinc/51/91/87/971519187.db2.gz MHLXRFAVMFTLIG-UHFFFAOYSA-N -1 0 326.327 3.577 20 0 EHADRM C[C@H](C(=O)[O-])N(C)C(=O)c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000342554067 971519204 /nfs/dbraw/zinc/51/92/04/971519204.db2.gz BCTMOJGQCGEVRX-SECBINFHSA-N -1 0 339.800 3.629 20 0 EHADRM C[C@H](C(=O)NC[C@@H](C(=O)[O-])c1ccccc1)c1cc2ccccc2o1 ZINC000345996220 971520846 /nfs/dbraw/zinc/52/08/46/971520846.db2.gz OHYRAILCELEHIE-XJKSGUPXSA-N -1 0 337.375 3.521 20 0 EHADRM CCC[C@@H](NC(=O)C1(Cc2cccc(Cl)c2)CCCC1)C(=O)[O-] ZINC000347387071 971525200 /nfs/dbraw/zinc/52/52/00/971525200.db2.gz QRDXOARKQPISPZ-OAHLLOKOSA-N -1 0 337.847 3.812 20 0 EHADRM C[C@@H](NC(=O)c1cc(C(=O)[O-])co1)c1cc(Cl)ccc1Cl ZINC000352396647 971528839 /nfs/dbraw/zinc/52/88/39/971528839.db2.gz FCKSVSFNIXMCSU-SSDOTTSWSA-N -1 0 328.151 3.776 20 0 EHADRM Cc1ncc(-c2ccc(NC(=O)c3ccc(C(=O)[O-])cc3F)cc2)o1 ZINC000358589084 971531617 /nfs/dbraw/zinc/53/16/17/971531617.db2.gz LPBLNIUVEACTKV-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(C3CCC3)c2)cc1F ZINC000359595873 971532649 /nfs/dbraw/zinc/53/26/49/971532649.db2.gz NAVRBNWSJCCNGV-UHFFFAOYSA-N -1 0 349.383 3.592 20 0 EHADRM CC[C@H](c1ccccc1)N(C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1)C(C)C ZINC001589585445 949043764 /nfs/dbraw/zinc/04/37/64/949043764.db2.gz IXDDEMQECGBACM-RCCFBDPRSA-N -1 0 347.455 3.645 20 0 EHADRM Cc1oc(CN(C)C(=O)c2csc3ccccc23)cc1C(=O)[O-] ZINC000362746560 971537383 /nfs/dbraw/zinc/53/73/83/971537383.db2.gz IRXVMXGOYHKRRU-UHFFFAOYSA-N -1 0 329.377 3.773 20 0 EHADRM CC[C@H](Sc1nnc(-c2ccc(N(CC)CC)cc2)o1)C(=O)[O-] ZINC001589586875 949060494 /nfs/dbraw/zinc/06/04/94/949060494.db2.gz YZOJKILORBEEJD-ZDUSSCGKSA-N -1 0 335.429 3.538 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C2(Cc3cccc(F)c3)CCC2)C1 ZINC001589592264 949102864 /nfs/dbraw/zinc/10/28/64/949102864.db2.gz WOXBQIJZDXULQT-IBGZPJMESA-N -1 0 347.430 3.642 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001589597441 949172329 /nfs/dbraw/zinc/17/23/29/949172329.db2.gz CNAIAFBEVFUMBC-HDMKZQKVSA-N -1 0 335.831 3.547 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)NCc2oc3ccccc3c2C)C1 ZINC001589598031 949178737 /nfs/dbraw/zinc/17/87/37/949178737.db2.gz OCDOVXRHGGUUHU-LJQANCHMSA-N -1 0 344.411 3.528 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N[C@H](C)c1ccc(Cl)s1)C(=O)[O-] ZINC000094705491 949182806 /nfs/dbraw/zinc/18/28/06/949182806.db2.gz BGKFVJCNOXHOTQ-ZJUUUORDSA-N -1 0 332.853 3.509 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2ccccc2Br)c1 ZINC000157806529 949364826 /nfs/dbraw/zinc/36/48/26/949364826.db2.gz SIDFRKVFMXUTLG-UHFFFAOYSA-N -1 0 348.196 3.719 20 0 EHADRM Cc1cc(Br)c(F)cc1NC(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC000164183187 949412054 /nfs/dbraw/zinc/41/20/54/949412054.db2.gz QQZBWXLWJDKWCT-NSHDSACASA-N -1 0 346.196 3.582 20 0 EHADRM CCC(CC)(CNC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000164978882 949420233 /nfs/dbraw/zinc/42/02/33/949420233.db2.gz KFBHAKSJKZEQER-UHFFFAOYSA-N -1 0 332.227 3.543 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1C(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC000190552992 949500589 /nfs/dbraw/zinc/50/05/89/949500589.db2.gz LHHLLZBAHWEHPB-KRWDZBQOSA-N -1 0 337.375 3.594 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001595255780 949605875 /nfs/dbraw/zinc/60/58/75/949605875.db2.gz FFKBQJDOZRICNL-OIISXLGYSA-N -1 0 336.391 3.652 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)Nc2cc(Cl)c(F)c(Cl)c2)C1 ZINC000379024001 971591658 /nfs/dbraw/zinc/59/16/58/971591658.db2.gz BSVCUNDBHWKPKG-SFYZADRCSA-N -1 0 349.189 3.897 20 0 EHADRM CCC[C@@H]1[C@H](C)CCCN1C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589637843 949636967 /nfs/dbraw/zinc/63/69/67/949636967.db2.gz RBXVQHBXJZHDDM-IBEHDNSVSA-N -1 0 338.492 3.732 20 0 EHADRM CCCCC1CCC(CNC(=O)NC[C@H](C(=O)[O-])C(C)C)CC1 ZINC001589640072 949679439 /nfs/dbraw/zinc/67/94/39/949679439.db2.gz XSBONRHQUUUIQO-GPANFISMSA-N -1 0 326.481 3.639 20 0 EHADRM CC(C)(C)CCNC(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC000232562898 949774935 /nfs/dbraw/zinc/77/49/35/949774935.db2.gz YPRAWABWLKMOLH-UHFFFAOYSA-N -1 0 343.221 3.705 20 0 EHADRM CCCN(C(=O)Nc1cc(C(=O)[O-])ccc1Br)C1CC1 ZINC000233044727 949795840 /nfs/dbraw/zinc/79/58/40/949795840.db2.gz MYCZAOIYYKANFL-UHFFFAOYSA-N -1 0 341.205 3.554 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC001595273120 949860702 /nfs/dbraw/zinc/86/07/02/949860702.db2.gz AHQSSWFYKDIQOA-UHFFFAOYSA-N -1 0 332.359 3.550 20 0 EHADRM Cc1cccc(C(=O)Nc2cc(C(=O)[O-])ccc2Br)c1 ZINC000235903073 949885022 /nfs/dbraw/zinc/88/50/22/949885022.db2.gz IAPHAGOFOAAGFS-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM C[C@H]1CCc2sc(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)cc2C1 ZINC000237716840 949976863 /nfs/dbraw/zinc/97/68/63/949976863.db2.gz XYYSCVJSMXYYQG-STQMWFEESA-N -1 0 335.469 3.590 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)Nc2cc(C(F)(F)F)ccc2F)C1 ZINC000379251642 971623691 /nfs/dbraw/zinc/62/36/91/971623691.db2.gz CKHIYKHUWCXTSE-SCZZXKLOSA-N -1 0 348.296 3.609 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN1C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000261783181 950049208 /nfs/dbraw/zinc/04/92/08/950049208.db2.gz YBOFWXQWLSVJJI-LJQANCHMSA-N -1 0 325.364 3.558 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000261952406 950053386 /nfs/dbraw/zinc/05/33/86/950053386.db2.gz WOYVSARWMJCOMH-SKDRFNHKSA-N -1 0 335.787 3.577 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000262158290 950074659 /nfs/dbraw/zinc/07/46/59/950074659.db2.gz PPQPBDCDFSKTGL-IAGOWNOFSA-N -1 0 331.412 3.585 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000262248814 950096773 /nfs/dbraw/zinc/09/67/73/950096773.db2.gz VEWSNXMAZSTWEF-IBGZPJMESA-N -1 0 335.403 3.606 20 0 EHADRM C[C@@H](C(=O)[O-])c1noc(-c2cncc(-c3ccc(Cl)cc3)c2)n1 ZINC001602822295 971634567 /nfs/dbraw/zinc/63/45/67/971634567.db2.gz DRMFJNHUMNVFCX-SECBINFHSA-N -1 0 329.743 3.640 20 0 EHADRM C[C@H](CN(C)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)[O-] ZINC000262414180 950119956 /nfs/dbraw/zinc/11/99/56/950119956.db2.gz DKXTUHBVGIQEAR-SSDOTTSWSA-N -1 0 338.713 3.543 20 0 EHADRM Cc1cccc(Oc2ccccc2CNC(=O)[C@@H]2CC[C@H]2C(=O)[O-])c1 ZINC000262687704 950152922 /nfs/dbraw/zinc/15/29/22/950152922.db2.gz YYXQUYUTOGWLQM-IAGOWNOFSA-N -1 0 339.391 3.514 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC[C@@H]1C(=O)[O-] ZINC000262754422 950162982 /nfs/dbraw/zinc/16/29/82/950162982.db2.gz ACDCLEHZVBHVJU-UFBFGSQYSA-N -1 0 349.736 3.542 20 0 EHADRM CCCN(CC)c1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000262743714 950163629 /nfs/dbraw/zinc/16/36/29/950163629.db2.gz AHNUIQXNDADKLR-INIZCTEOSA-N -1 0 346.471 3.640 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263025687 950219928 /nfs/dbraw/zinc/21/99/28/950219928.db2.gz ANYGEKZBFLSZTN-MWLCHTKSSA-N -1 0 344.333 3.588 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000263119262 950274296 /nfs/dbraw/zinc/27/42/96/950274296.db2.gz FAWRHAURHRQWLI-VUKOWNLVSA-N -1 0 337.419 3.655 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N(CCc2ccc(F)cc2)C2CCCC2)C1 ZINC000263170402 950310005 /nfs/dbraw/zinc/31/00/05/950310005.db2.gz FWBUDXDDWTWEEG-JKSUJKDBSA-N -1 0 347.430 3.640 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)CSc2ccc3ccccc3c2)C1 ZINC000263341038 950382740 /nfs/dbraw/zinc/38/27/40/950382740.db2.gz NMICNUAKIFSUOV-CZUORRHYSA-N -1 0 343.448 3.501 20 0 EHADRM O=C([O-])[C@@H](Cc1ccccc1)N[C@@H](CCc1ccccc1)C(F)F ZINC000263376239 950418767 /nfs/dbraw/zinc/41/87/67/950418767.db2.gz ANPXBPHTXFTWJM-DLBZAZTESA-N -1 0 333.378 3.538 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1nc(-c2ccccc2)cs1 ZINC000263387372 950430114 /nfs/dbraw/zinc/43/01/14/950430114.db2.gz CXEIGFNIVBDYCR-AWEZNQCLSA-N -1 0 344.436 3.670 20 0 EHADRM CC(C)(C)c1ccc([C@H]2CCCN2C(=O)NCCCC(=O)[O-])cc1 ZINC000263475359 950483619 /nfs/dbraw/zinc/48/36/19/950483619.db2.gz MKCRRTSAOCHNSY-MRXNPFEDSA-N -1 0 332.444 3.695 20 0 EHADRM CC[N@H+](Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)Cc1occc1C ZINC001589736783 950546782 /nfs/dbraw/zinc/54/67/82/950546782.db2.gz OHBLITBZRLUEKV-HNNXBMFYSA-N -1 0 346.427 3.504 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)Oc2ccc(-c3cscn3)cc2)co1 ZINC001594971054 950853508 /nfs/dbraw/zinc/85/35/08/950853508.db2.gz MQGKAJAVNQUKEW-AATRIKPKSA-N -1 0 341.344 3.720 20 0 EHADRM C[C@@H]1CCCN(C(=O)CCSc2ccccc2Cl)[C@@H]1C(=O)[O-] ZINC000318655003 950931473 /nfs/dbraw/zinc/93/14/73/950931473.db2.gz GQDQMZFZRKYHQO-ABAIWWIYSA-N -1 0 341.860 3.534 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000318875040 950940595 /nfs/dbraw/zinc/94/05/95/950940595.db2.gz LCZFITCZLXXYIA-LLVKDONJSA-N -1 0 326.824 3.543 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC[C@@H]1C(=O)[O-] ZINC000319026477 950944185 /nfs/dbraw/zinc/94/41/85/950944185.db2.gz RRDJBFBYNCULAF-CBAPKCEASA-N -1 0 349.189 3.707 20 0 EHADRM C[C@@H]1CCc2c(C(=O)NCc3ccc(C(=O)[O-])cc3)csc2C1 ZINC000320626919 950998518 /nfs/dbraw/zinc/99/85/18/950998518.db2.gz FLHGZLOEFMPXSM-LLVKDONJSA-N -1 0 329.421 3.501 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1cc(Cl)nc(C(C)(C)C)c1)C(=O)[O-] ZINC000323013662 951041478 /nfs/dbraw/zinc/04/14/78/951041478.db2.gz ORGUAVFMNWRHFG-GFCCVEGCSA-N -1 0 340.851 3.509 20 0 EHADRM Cc1ccccc1OCC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000324158948 951062486 /nfs/dbraw/zinc/06/24/86/951062486.db2.gz ZKAXDSIEYOILDR-UHFFFAOYSA-N -1 0 345.420 3.651 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)C1 ZINC000325030684 951078457 /nfs/dbraw/zinc/07/84/57/951078457.db2.gz LXXFSOPUYWGYDK-HNNXBMFYSA-N -1 0 347.308 3.562 20 0 EHADRM CC(C)C[C@H](CNC(=O)NCC[C@@H](C)c1ccccc1)CC(=O)[O-] ZINC000325026852 951079640 /nfs/dbraw/zinc/07/96/40/951079640.db2.gz FRCKKQFQKIEYHH-CVEARBPZSA-N -1 0 334.460 3.616 20 0 EHADRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Nc1ccc2sccc2c1 ZINC000325076858 951080072 /nfs/dbraw/zinc/08/00/72/951080072.db2.gz XOQMQSKBUBKQNW-HNNXBMFYSA-N -1 0 340.404 3.719 20 0 EHADRM CC(=O)c1ccc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC000325560842 951087444 /nfs/dbraw/zinc/08/74/44/951087444.db2.gz WVWJUUSQHVVXRK-UHFFFAOYSA-N -1 0 326.352 3.550 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)Nc1ccc(-c2nccs2)cc1 ZINC000325627281 951088969 /nfs/dbraw/zinc/08/89/69/951088969.db2.gz VGEPFKZYSGGTLV-UHFFFAOYSA-N -1 0 338.388 3.690 20 0 EHADRM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000326626550 951102278 /nfs/dbraw/zinc/10/22/78/951102278.db2.gz QZOHUPGCANQHJZ-GFCCVEGCSA-N -1 0 344.333 3.508 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N[C@@H]2CCCCC23CCCC3)cc1 ZINC000326822426 951106145 /nfs/dbraw/zinc/10/61/45/951106145.db2.gz YDDHDRUFZFGCLX-MRXNPFEDSA-N -1 0 330.428 3.687 20 0 EHADRM Cc1ccc2oc(C(=O)N3Cc4ccccc4[C@@H](C(=O)[O-])C3)cc2c1 ZINC000326976714 951107869 /nfs/dbraw/zinc/10/78/69/951107869.db2.gz UUFLWIYQHUSZFZ-INIZCTEOSA-N -1 0 335.359 3.565 20 0 EHADRM CC[C@@H](NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000327586394 951117345 /nfs/dbraw/zinc/11/73/45/951117345.db2.gz XQHMGUXBAYRGEU-ZWKOTPCHSA-N -1 0 338.407 3.531 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000347517100 951134036 /nfs/dbraw/zinc/13/40/36/951134036.db2.gz LREWHIJLSFBFMR-LSDHHAIUSA-N -1 0 335.469 3.518 20 0 EHADRM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1ccc(C(=O)[O-])cc1)[C@@H]2C ZINC000357419756 951135146 /nfs/dbraw/zinc/13/51/46/951135146.db2.gz LRBGNLRZVNRFMC-QWHCGFSZSA-N -1 0 339.391 3.541 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)C(F)(F)c1ccc(Cl)cc1 ZINC001595008582 951234503 /nfs/dbraw/zinc/23/45/03/951234503.db2.gz REJHBWKDTWSWES-CYBMUJFWSA-N -1 0 345.773 3.678 20 0 EHADRM CCON(Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001591997784 951272423 /nfs/dbraw/zinc/27/24/23/951272423.db2.gz QPTLBAMRBXJMDJ-UHFFFAOYSA-N -1 0 328.368 3.679 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)c1cccc(Cl)n1)CCCC2 ZINC000385766387 951285121 /nfs/dbraw/zinc/28/51/21/951285121.db2.gz ITGTYJDHOGHFHH-UHFFFAOYSA-N -1 0 336.800 3.626 20 0 EHADRM O=C([O-])CCCC(=O)Nc1cc(-c2cccc(Cl)c2Cl)[nH]n1 ZINC001595027800 951357195 /nfs/dbraw/zinc/35/71/95/951357195.db2.gz OGRLWQQAWSTKSE-UHFFFAOYSA-N -1 0 342.182 3.577 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)c2cc3c(s2)CCCCCC3)C1 ZINC000390637973 951386265 /nfs/dbraw/zinc/38/62/65/951386265.db2.gz PBXWWRLSCQNVEM-CYBMUJFWSA-N -1 0 335.469 3.734 20 0 EHADRM O=C([O-])c1cccc(NC(=O)NCc2ccccc2C(F)(F)F)c1 ZINC000392116237 951413720 /nfs/dbraw/zinc/41/37/20/951413720.db2.gz XEKGJARZSMUGAE-UHFFFAOYSA-N -1 0 338.285 3.725 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC[C@@H]1CCCCC1(F)F ZINC000381643080 971767812 /nfs/dbraw/zinc/76/78/12/971767812.db2.gz XGKSMWDHPIRYJT-WOLRVDTOSA-N -1 0 326.339 3.997 20 0 EHADRM CC(C)(C)c1ccc(CC(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001602922811 971881606 /nfs/dbraw/zinc/88/16/06/971881606.db2.gz GSXGMIOFWLPTGH-SFHVURJKSA-N -1 0 343.398 3.608 20 0 EHADRM CC(C)(CCC(=O)[O-])Nc1ncnc2cc(Br)sc21 ZINC001602938751 971905932 /nfs/dbraw/zinc/90/59/32/971905932.db2.gz WTJRRMGXJKSGQT-UHFFFAOYSA-N -1 0 344.234 3.509 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)NC(C)(C)CCC(=O)[O-] ZINC000414447570 953395740 /nfs/dbraw/zinc/39/57/40/953395740.db2.gz LAYJEENYJWAMIX-HNNXBMFYSA-N -1 0 335.444 3.727 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)N[C@H](c1ccccc1F)C1CCCC1 ZINC000414632295 953404300 /nfs/dbraw/zinc/40/43/00/953404300.db2.gz RSIBIBBVAZWRBU-KRWDZBQOSA-N -1 0 336.407 3.563 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(OC2CCCC2)c(Cl)c1)C(=O)[O-] ZINC001593603814 953416774 /nfs/dbraw/zinc/41/67/74/953416774.db2.gz BGVGHMDVXLSJSM-CYBMUJFWSA-N -1 0 340.807 3.646 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccccc2COC(C)(C)C)C1 ZINC001589272076 953418980 /nfs/dbraw/zinc/41/89/80/953418980.db2.gz KBRAJHKEOJZQGK-DZGCQCFKSA-N -1 0 348.443 3.576 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc(C(F)(F)F)cc2Cl)C1 ZINC001589274289 953445371 /nfs/dbraw/zinc/44/53/71/953445371.db2.gz CRFLQDSTHLVORS-IUCAKERBSA-N -1 0 349.736 3.542 20 0 EHADRM O=C([O-])c1cccc(NC(=O)NCCC2CCC(F)(F)CC2)c1 ZINC001594754474 953461762 /nfs/dbraw/zinc/46/17/62/953461762.db2.gz RXYIOXOJQWNEHM-UHFFFAOYSA-N -1 0 326.343 3.722 20 0 EHADRM CCC(CC)(CNC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000424417200 953478416 /nfs/dbraw/zinc/47/84/16/953478416.db2.gz WPJZBNFSXJRBSH-NSHDSACASA-N -1 0 342.386 3.558 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000448999348 953508188 /nfs/dbraw/zinc/50/81/88/953508188.db2.gz INRWPOBABXNLTJ-HNNXBMFYSA-N -1 0 341.194 3.554 20 0 EHADRM CCCn1ccc2cc(NC(=O)N([C@H](C)C(=O)[O-])C3CC3)ccc21 ZINC000516842262 953542549 /nfs/dbraw/zinc/54/25/49/953542549.db2.gz VZIYAAVHTJJLTG-GFCCVEGCSA-N -1 0 329.400 3.521 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000532611921 953564173 /nfs/dbraw/zinc/56/41/73/953564173.db2.gz LYSSPUXNDONXEH-SNVBAGLBSA-N -1 0 344.238 3.543 20 0 EHADRM C[C@@H]1C[C@H](CCNC(=O)c2cccc(OCC(=O)[O-])c2)CC(C)(C)C1 ZINC001589285639 953566300 /nfs/dbraw/zinc/56/63/00/953566300.db2.gz BKOBUZBSHBLNOB-CABCVRRESA-N -1 0 347.455 3.732 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC001594772095 953569852 /nfs/dbraw/zinc/56/98/52/953569852.db2.gz RHWQKSPDQNKTMC-UHFFFAOYSA-N -1 0 338.285 3.725 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000533196421 953570067 /nfs/dbraw/zinc/57/00/67/953570067.db2.gz HASQTZGPUGXVTL-KRWDZBQOSA-N -1 0 337.419 3.609 20 0 EHADRM CC[C@H](CNC(=O)c1cccc(C(=O)[O-])c1)Oc1ccccc1Cl ZINC000534165729 953570441 /nfs/dbraw/zinc/57/04/41/953570441.db2.gz LWHSFMGHEFGHOH-CQSZACIVSA-N -1 0 347.798 3.626 20 0 EHADRM O=C([O-])c1cccc(C(=O)NCCCCOc2ccc(Cl)cc2)c1 ZINC000538467221 953572390 /nfs/dbraw/zinc/57/23/90/953572390.db2.gz BEPLRRYFLCWTDV-UHFFFAOYSA-N -1 0 347.798 3.627 20 0 EHADRM CCc1cc(C)c(OC(=O)c2cccc(OCC(=O)[O-])c2)c(C)c1 ZINC001593630929 953580897 /nfs/dbraw/zinc/58/08/97/953580897.db2.gz LQIYFWDAYLCYRN-UHFFFAOYSA-N -1 0 328.364 3.548 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)c1ccnc(Oc2ccccc2)c1 ZINC001594776692 953587568 /nfs/dbraw/zinc/58/75/68/953587568.db2.gz PFSHFAFMACKTHD-UHFFFAOYSA-N -1 0 348.358 3.502 20 0 EHADRM CCc1cc2c(nc(C)nc2N2CCC[C@@H](CCC(=O)[O-])C2)s1 ZINC001593633744 953595862 /nfs/dbraw/zinc/59/58/62/953595862.db2.gz GOIQJVZNKNZZHQ-LBPRGKRZSA-N -1 0 333.457 3.643 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N[C@H](C(=O)[O-])c2cccc(C)c2)cc1 ZINC001593637235 953615342 /nfs/dbraw/zinc/61/53/42/953615342.db2.gz OOOWAYHQAIWHQU-KDOFPFPSSA-N -1 0 325.408 3.603 20 0 EHADRM CC(C)c1nc2cc(NC(=O)N3CC[C@H](C)[C@H](C(=O)[O-])C3)ccc2o1 ZINC000567883623 953638332 /nfs/dbraw/zinc/63/83/32/953638332.db2.gz CCVWLTFTWNRTIC-WCQYABFASA-N -1 0 345.399 3.526 20 0 EHADRM Cc1cc2ccccc2c(NC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000570211455 953654645 /nfs/dbraw/zinc/65/46/45/953654645.db2.gz DYXFAJXSEZOQFT-CJNGLKHVSA-N -1 0 326.396 3.723 20 0 EHADRM CCc1cc(C)cc(CC)c1NC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000575988554 953686334 /nfs/dbraw/zinc/68/63/34/953686334.db2.gz PKSBEVDGFCFDPX-CZUORRHYSA-N -1 0 332.444 3.694 20 0 EHADRM CCc1cc(C)cc(CC)c1NC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000575988553 953686528 /nfs/dbraw/zinc/68/65/28/953686528.db2.gz PKSBEVDGFCFDPX-CJNGLKHVSA-N -1 0 332.444 3.694 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc(Cl)cc2Cl)C[C@@H]1C(=O)[O-] ZINC000580075627 953712434 /nfs/dbraw/zinc/71/24/34/953712434.db2.gz SHXAAPPQADISOP-SCZZXKLOSA-N -1 0 331.199 3.568 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1cccc(F)c1C(C)(F)F ZINC001589306596 953747564 /nfs/dbraw/zinc/74/75/64/953747564.db2.gz VAXWIVMPLMHOEG-NXEZZACHSA-N -1 0 344.333 3.654 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1ccc(Oc2ccncc2)c(Cl)c1 ZINC001594806732 953787657 /nfs/dbraw/zinc/78/76/57/953787657.db2.gz MPXWFESRGDJGKK-QWHCGFSZSA-N -1 0 346.770 3.577 20 0 EHADRM CCC(CC)(CNC(=O)Cc1coc2cc(Cl)ccc12)C(=O)[O-] ZINC000630148169 953840975 /nfs/dbraw/zinc/84/09/75/953840975.db2.gz LVUIAZAPCWLSTC-UHFFFAOYSA-N -1 0 337.803 3.636 20 0 EHADRM C[C@H]1CCCc2ccccc2[C@H]1NC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000646155145 953935970 /nfs/dbraw/zinc/93/59/70/953935970.db2.gz HFKPDMAMELPPTQ-YOEHRIQHSA-N -1 0 344.455 3.596 20 0 EHADRM O=C([O-])[C@@H](C(=O)NC1CCC(c2ccccc2)CC1)C1CCCC1 ZINC001594832029 953978095 /nfs/dbraw/zinc/97/80/95/953978095.db2.gz BROXIZCTXPEOMG-VMWRSERWSA-N -1 0 329.440 3.720 20 0 EHADRM C[C@@H]1CCN(C(=O)N[C@H]2CCC(C)(C)c3ccccc32)C[C@H]1C(=O)[O-] ZINC001589344575 954043259 /nfs/dbraw/zinc/04/32/59/954043259.db2.gz DYBSTCNMCSFYDT-UNEWFSDZSA-N -1 0 344.455 3.551 20 0 EHADRM O=C([O-])[C@]1(C(=O)N2CCC(CCc3ccccc3)CC2)CC=CCC1 ZINC001594845499 954140570 /nfs/dbraw/zinc/14/05/70/954140570.db2.gz RUVAGCZZDBMTMZ-OAQYLSRUSA-N -1 0 341.451 3.669 20 0 EHADRM C[C@@H]1CCc2c(sc(NC(=O)C3CC(F)(F)C3)c2C(=O)[O-])C1 ZINC001589361056 954153929 /nfs/dbraw/zinc/15/39/29/954153929.db2.gz GCHVZPSQKMNJQS-SSDOTTSWSA-N -1 0 329.368 3.555 20 0 EHADRM CCCOc1cccc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000653332351 954162954 /nfs/dbraw/zinc/16/29/54/954162954.db2.gz BOFIYJDBLDPYIT-MSOLQXFVSA-N -1 0 339.391 3.518 20 0 EHADRM Cc1ccc(CCC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c(C)c1 ZINC000653332905 954164010 /nfs/dbraw/zinc/16/40/10/954164010.db2.gz JUIQZXBCNQWAIJ-RBUKOAKNSA-N -1 0 337.419 3.665 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)c2cc3c(s2)CCCC3)c2ccccc21 ZINC000653334110 954165363 /nfs/dbraw/zinc/16/53/63/954165363.db2.gz XTLDRLBUVIBVCQ-CABCVRRESA-N -1 0 341.432 3.670 20 0 EHADRM CSc1ccc(NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000653535500 954182840 /nfs/dbraw/zinc/18/28/40/954182840.db2.gz UNDIYIUAJRVKTJ-DDTOSNHZSA-N -1 0 336.457 3.665 20 0 EHADRM C[C@@H](NC(=O)Nc1cc(F)cc(Cl)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653540517 954188699 /nfs/dbraw/zinc/18/86/99/954188699.db2.gz KSEMOCDYPKTFLI-OXHMUOHRSA-N -1 0 342.798 3.736 20 0 EHADRM CC(C)[C@H](CNC(=O)Nc1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000653540872 954189528 /nfs/dbraw/zinc/18/95/28/954189528.db2.gz XFNCAZJNNUWKKQ-ZDUSSCGKSA-N -1 0 346.349 3.660 20 0 EHADRM CCc1cc(C(=O)N2CCC[C@@H]2C(=O)[O-])sc1-c1ccccc1 ZINC000655534347 954196982 /nfs/dbraw/zinc/19/69/82/954196982.db2.gz GUJWYCVQBZZHMU-CQSZACIVSA-N -1 0 329.421 3.667 20 0 EHADRM O=C([O-])C1(C(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)CCCCC1 ZINC001594854883 954219076 /nfs/dbraw/zinc/21/90/76/954219076.db2.gz WAZYJJPJCSJPKY-GDBMZVCRSA-N -1 0 333.403 3.613 20 0 EHADRM C[C@H]1CN(C(=O)C2=C(c3ccccc3)CCCC2)CC[C@H]1C(=O)[O-] ZINC001589374704 954240562 /nfs/dbraw/zinc/24/05/62/954240562.db2.gz LNLKWTOBCDQZHD-GOEBONIOSA-N -1 0 327.424 3.583 20 0 EHADRM CC(C)[C@@H](CNC(=O)N1CC2(CCCC2)c2cccc(F)c21)C(=O)[O-] ZINC001602978702 971998033 /nfs/dbraw/zinc/99/80/33/971998033.db2.gz NXXHWHDVKXJMHE-CYBMUJFWSA-N -1 0 348.418 3.524 20 0 EHADRM C[C@@H](NC(=O)N[C@H](c1ccccc1)C1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655862122 954247637 /nfs/dbraw/zinc/24/76/37/954247637.db2.gz YFNDUWCPXGGASM-VJUNAUMWSA-N -1 0 344.455 3.572 20 0 EHADRM CC(C)[C@@H](CNC(=O)N(C1CC1)[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC000655893144 954274789 /nfs/dbraw/zinc/27/47/89/954274789.db2.gz JDIVDQUWILTGSA-MSOLQXFVSA-N -1 0 344.455 3.595 20 0 EHADRM O=C([O-])C1(C(=O)NCCc2ccc(Cl)c(Cl)c2)CCCCC1 ZINC001594862149 954283175 /nfs/dbraw/zinc/28/31/75/954283175.db2.gz MSXWRWBXDOUIIT-UHFFFAOYSA-N -1 0 344.238 3.687 20 0 EHADRM C[C@H](c1cccs1)N(C)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655905937 954288690 /nfs/dbraw/zinc/28/86/90/954288690.db2.gz GLBRKKHOAIFCHD-QNWHQSFQSA-N -1 0 338.473 3.586 20 0 EHADRM O=C([O-])C1(C(=O)NCc2ccccc2OC2CCCC2)CCCCC1 ZINC001594863483 954299064 /nfs/dbraw/zinc/29/90/64/954299064.db2.gz LCEKXOGWZCANIC-UHFFFAOYSA-N -1 0 345.439 3.659 20 0 EHADRM CCC[C@H](CC1CCCC1)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659204005 954316535 /nfs/dbraw/zinc/31/65/35/954316535.db2.gz MEMVATHSDDPHKK-CQSZACIVSA-N -1 0 335.448 3.638 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ncc(-c3ccccc3)cn2)CCCCCC1 ZINC001594872432 954365177 /nfs/dbraw/zinc/36/51/77/954365177.db2.gz SWZKJBSJIDSDNG-UHFFFAOYSA-N -1 0 339.395 3.507 20 0 EHADRM O=C([O-])C1(CCSc2nnc(Cc3cccc(F)c3)o2)CCC1 ZINC001594879414 954407266 /nfs/dbraw/zinc/40/72/66/954407266.db2.gz FIJSZPCZEFJFOQ-UHFFFAOYSA-N -1 0 336.388 3.537 20 0 EHADRM CN(CCOc1ccccc1C(C)(C)C)C(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC001593754681 954443054 /nfs/dbraw/zinc/44/30/54/954443054.db2.gz VNIWIJQABJUNDH-MRXNPFEDSA-N -1 0 349.471 3.568 20 0 EHADRM C[C@@H]1CN(c2nc3c(cc(Cl)cc3F)s2)CC[C@H]1C(=O)[O-] ZINC001589406981 954468958 /nfs/dbraw/zinc/46/89/58/954468958.db2.gz NHSGZMFEWLWTGL-VXNVDRBHSA-N -1 0 328.796 3.636 20 0 EHADRM CCN(C(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12)[C@@H](C)C(=O)[O-] ZINC000663126480 954518156 /nfs/dbraw/zinc/51/81/56/954518156.db2.gz XOZQDUFZAORZHF-ZDUSSCGKSA-N -1 0 340.423 3.664 20 0 EHADRM CC(C)[C@]1(C)C[C@H]1NC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666552056 954558687 /nfs/dbraw/zinc/55/86/87/954558687.db2.gz ZAFBWJSFOJXATR-XLIONFOSSA-N -1 0 344.455 3.708 20 0 EHADRM CCO[C@@H](CC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1)C(C)C ZINC000682187804 954601506 /nfs/dbraw/zinc/60/15/06/954601506.db2.gz OKJLYQGHCGPSDE-SFHVURJKSA-N -1 0 347.455 3.542 20 0 EHADRM CCC(C)(C)c1ccc(COC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)cc1 ZINC001589451515 954802843 /nfs/dbraw/zinc/80/28/43/954802843.db2.gz GUBMSFSJNBTMMX-DOTOQJQBSA-N -1 0 348.439 3.687 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(-c3cnco3)cc2)c2ccccc21 ZINC001594927930 954822148 /nfs/dbraw/zinc/82/21/48/954822148.db2.gz VOLNSTCVGUYDAY-MRXNPFEDSA-N -1 0 348.358 3.560 20 0 EHADRM CC(C)[C@@H]1N(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC12CCCCCC2 ZINC001603002651 972047909 /nfs/dbraw/zinc/04/79/09/972047909.db2.gz CMBJFAGTTMVIDE-PMPSAXMXSA-N -1 0 336.476 3.630 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001589463646 954876350 /nfs/dbraw/zinc/87/63/50/954876350.db2.gz GYLSVQHIBOAMGO-XEHSLEBBSA-N -1 0 340.379 3.609 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C ZINC001589480936 954971660 /nfs/dbraw/zinc/97/16/60/954971660.db2.gz BBXALIVYDAAVGX-UHFFFAOYSA-N -1 0 349.818 3.664 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1C[C@H](c2ccccc2)CC1(C)C)C(=O)[O-] ZINC001603008826 972058528 /nfs/dbraw/zinc/05/85/28/972058528.db2.gz JIEGWYRGXPMSNB-IAGOWNOFSA-N -1 0 346.471 3.711 20 0 EHADRM CC(C)C[C@@H](CNC(=O)NC(C)(C)c1cccc(Cl)c1)C(=O)[O-] ZINC001603009168 972060013 /nfs/dbraw/zinc/06/00/13/972060013.db2.gz WSCYGFGOSQYTFT-LBPRGKRZSA-N -1 0 340.851 3.621 20 0 EHADRM CCC(CC)(CNC(=O)N[C@H](c1ccccc1C)C1CC1)C(=O)[O-] ZINC001589489357 955009323 /nfs/dbraw/zinc/00/93/23/955009323.db2.gz FNWMSWVTBIEASE-INIZCTEOSA-N -1 0 332.444 3.636 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)[C@H]1Cc2ccccc2S1 ZINC000386537149 972062890 /nfs/dbraw/zinc/06/28/90/972062890.db2.gz IHJSDBPVABWPRL-CQSZACIVSA-N -1 0 333.796 3.694 20 0 EHADRM CCC(CC)(NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001589510713 955049606 /nfs/dbraw/zinc/04/96/06/955049606.db2.gz VLMPXBDUZZUYSE-YEORSEQZSA-N -1 0 338.835 3.518 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)NCc2ccc(Cl)c(Cl)c2)co1 ZINC001594969067 955085865 /nfs/dbraw/zinc/08/58/65/955085865.db2.gz UNAGUUYWJIODOT-RQOWECAXSA-N -1 0 340.162 3.614 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)O[C@@H](c2ccccc2)c2ccccn2)co1 ZINC001594969911 955099671 /nfs/dbraw/zinc/09/96/71/955099671.db2.gz AAJKKAGVTGFUAN-VJIACCKLSA-N -1 0 349.342 3.719 20 0 EHADRM CC(C)C[C@]1(C)CCCN1C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001603018417 972077834 /nfs/dbraw/zinc/07/78/34/972077834.db2.gz NYTGZAHJSJZZPG-VQTJNVASSA-N -1 0 346.471 3.639 20 0 EHADRM C[C@@H](CC(F)(F)F)C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001589006461 955365928 /nfs/dbraw/zinc/36/59/28/955365928.db2.gz GLXWOFFQGWXRAJ-NSHDSACASA-N -1 0 343.345 3.679 20 0 EHADRM C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc([C@H](C)C(=O)[O-])no1 ZINC001589080850 955852660 /nfs/dbraw/zinc/85/26/60/955852660.db2.gz VXPVYPSWQOVGDW-IUCAKERBSA-N -1 0 328.290 3.623 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2cc3sccc3s2)c2ccccc21 ZINC000387877054 972145064 /nfs/dbraw/zinc/14/50/64/972145064.db2.gz LHJJCUYBYYKJLL-JTQLQIEISA-N -1 0 329.402 3.791 20 0 EHADRM Cc1ccc2occ(CC(=O)N3CCCC[C@@H]3CCC(=O)[O-])c2c1 ZINC000864132202 955956311 /nfs/dbraw/zinc/95/63/11/955956311.db2.gz MQMDRIJGEWPAKR-OAHLLOKOSA-N -1 0 329.396 3.530 20 0 EHADRM CC1(C)[C@@H](c2cccc(C(F)(F)F)c2)CCN1C(=O)CCC(=O)[O-] ZINC000864217696 955978630 /nfs/dbraw/zinc/97/86/30/955978630.db2.gz OZMFLHYENUAHFF-CYBMUJFWSA-N -1 0 343.345 3.665 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cccc(SC(F)F)c2)CC[C@H]1C(=O)[O-] ZINC000864592597 955998836 /nfs/dbraw/zinc/99/88/36/955998836.db2.gz YOERWPCDLZSQGQ-JOYOIKCWSA-N -1 0 344.383 3.576 20 0 EHADRM C[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(F)c2ccccc21 ZINC001589114508 956083310 /nfs/dbraw/zinc/08/33/10/956083310.db2.gz QVZBWIFBVMODQL-FRRDWIJNSA-N -1 0 329.371 3.657 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000874409594 956182439 /nfs/dbraw/zinc/18/24/39/956182439.db2.gz RSZRJBYUVFJGJR-KRWDZBQOSA-N -1 0 342.370 3.571 20 0 EHADRM C[C@](NCc1sccc1Br)(C(=O)[O-])c1ccccc1 ZINC001589131941 956205906 /nfs/dbraw/zinc/20/59/06/956205906.db2.gz JPVZEHXFMWDKRO-CQSZACIVSA-N -1 0 340.242 3.600 20 0 EHADRM CCCOc1cccc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000899309248 956279063 /nfs/dbraw/zinc/27/90/63/956279063.db2.gz VSYXAEKIXSEIMG-OAHLLOKOSA-N -1 0 334.416 3.727 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Nc1ccc(C2CCC2)cn1 ZINC000899313890 956285544 /nfs/dbraw/zinc/28/55/44/956285544.db2.gz SYYCPVKXPWNYLC-OAHLLOKOSA-N -1 0 331.416 3.600 20 0 EHADRM CO[C@H]1CCC[C@@H](CC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)C1 ZINC001593949732 956365308 /nfs/dbraw/zinc/36/53/08/956365308.db2.gz LQAQODYCYYOWEW-ZJUUUORDSA-N -1 0 343.782 3.711 20 0 EHADRM CO[C@H]1CCC[C@H](CC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)C1 ZINC001593949730 956366056 /nfs/dbraw/zinc/36/60/56/956366056.db2.gz LQAQODYCYYOWEW-UWVGGRQHSA-N -1 0 343.782 3.711 20 0 EHADRM CC1(c2ccccc2)CCN(C(=O)c2coc(/C=C/C(=O)[O-])c2)CC1 ZINC000901604361 956366906 /nfs/dbraw/zinc/36/69/06/956366906.db2.gz NWYBFQBEXHARFF-BQYQJAHWSA-N -1 0 339.391 3.571 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001589161759 956419286 /nfs/dbraw/zinc/41/92/86/956419286.db2.gz BXCVDTVLYSJJHF-UKRRQHHQSA-N -1 0 327.465 3.510 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C/C=C\Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000901701198 956427158 /nfs/dbraw/zinc/42/71/58/956427158.db2.gz PDAFWVGBUXGUDD-PXIXMTEYSA-N -1 0 349.430 3.502 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000901746271 956450160 /nfs/dbraw/zinc/45/01/60/956450160.db2.gz OCDONFAEMCQKIE-ZACQAIPSSA-N -1 0 347.455 3.550 20 0 EHADRM C[C@H](c1ccc(COC(=O)[C@H](C(=O)[O-])C2CC2)cc1)C(F)(F)F ZINC001589174464 956479471 /nfs/dbraw/zinc/47/94/71/956479471.db2.gz HUMKGSUKGQGWJI-RNCFNFMXSA-N -1 0 330.302 3.506 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)c1coc(/C=C\C(=O)[O-])c1)C1CC1 ZINC000901800524 956479847 /nfs/dbraw/zinc/47/98/47/956479847.db2.gz ZJUFZMVRQJRWOA-GIFJBRJJSA-N -1 0 325.364 3.567 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)C2(Cc3cccc(F)c3)CCCCC2)C1 ZINC001589188434 956578507 /nfs/dbraw/zinc/57/85/07/956578507.db2.gz NPBHOUBANNHUCA-IBGZPJMESA-N -1 0 347.430 3.642 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)Nc2cc(-n3cccc3)ccc2F)o1 ZINC001594673241 956635570 /nfs/dbraw/zinc/63/55/70/956635570.db2.gz VGPZNZROURQCMQ-YVMONPNESA-N -1 0 340.310 3.560 20 0 EHADRM C[C@H](CC(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21)n1cccc1 ZINC001603120038 972202552 /nfs/dbraw/zinc/20/25/52/972202552.db2.gz AKQNXMWZNLBBPE-HZPDHXFCSA-N -1 0 340.423 3.510 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)Nc1cccc(-n2cccc2)c1 ZINC001589207339 956675517 /nfs/dbraw/zinc/67/55/17/956675517.db2.gz YQCBMHBHAXMDRZ-UHFFFAOYSA-N -1 0 326.396 3.553 20 0 EHADRM CC1(C)C[C@@H](NC(=O)c2coc(/C=C\C(=O)[O-])c2)c2ccccc21 ZINC001589211033 956687609 /nfs/dbraw/zinc/68/76/09/956687609.db2.gz DDMNMUVULPQCJK-XITLMJRVSA-N -1 0 325.364 3.530 20 0 EHADRM CC1(C)C[C@H](NC(=O)c2coc(/C=C/C(=O)[O-])c2)c2ccccc21 ZINC001589211032 956688002 /nfs/dbraw/zinc/68/80/02/956688002.db2.gz DDMNMUVULPQCJK-WAVCKPEOSA-N -1 0 325.364 3.530 20 0 EHADRM CC1(C)C[C@H](c2ccccc2)CN1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001589212296 956702082 /nfs/dbraw/zinc/70/20/82/956702082.db2.gz OOLSLYPAVWVVDY-HNNXBMFYSA-N -1 0 339.395 3.580 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)CCCc1ccccc1Cl ZINC001594685719 956711203 /nfs/dbraw/zinc/71/12/03/956711203.db2.gz RTJFMNOCXVCVPS-UHFFFAOYSA-N -1 0 331.799 3.677 20 0 EHADRM CC1(C)CC[C@H](NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])[C@H](c2ccccc2)C1 ZINC001589225289 956788584 /nfs/dbraw/zinc/78/85/84/956788584.db2.gz WMPNWZFXHPIRSO-NCOADZHNSA-N -1 0 329.440 3.576 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)N(Cc2cccc(F)c2)C2CCC2)co1 ZINC000902842052 956825184 /nfs/dbraw/zinc/82/51/84/956825184.db2.gz VBFGSLHTKPTPLY-FPLPWBNLSA-N -1 0 343.354 3.711 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)Nc1cccc(CC(F)(F)F)c1 ZINC001594710000 956873466 /nfs/dbraw/zinc/87/34/66/956873466.db2.gz IIEKAGFOGKIPDH-UHFFFAOYSA-N -1 0 337.297 3.671 20 0 EHADRM COc1cc(Br)ccc1OCc1ccccc1C(=O)[O-] ZINC000011959400 956901455 /nfs/dbraw/zinc/90/14/55/956901455.db2.gz KSQFWZSKBLDALW-UHFFFAOYSA-N -1 0 337.169 3.735 20 0 EHADRM Cc1cc(C(C)(C)C)ccc1OS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000013067294 956924016 /nfs/dbraw/zinc/92/40/16/956924016.db2.gz OGMIQWGTQNCDGF-UHFFFAOYSA-N -1 0 348.420 3.758 20 0 EHADRM O=C([O-])c1ccc(OCC(=O)NC2CCCCCCC2)c(Cl)c1 ZINC000013084889 956933959 /nfs/dbraw/zinc/93/39/59/956933959.db2.gz QDADKUJUHWTFBJ-UHFFFAOYSA-N -1 0 339.819 3.646 20 0 EHADRM Cc1ccc(OCC(=O)Nc2ccc(C(C)C)cc2)c(C(=O)[O-])c1 ZINC000013085585 956937486 /nfs/dbraw/zinc/93/74/86/956937486.db2.gz TWOYCAJMQMYLCS-UHFFFAOYSA-N -1 0 327.380 3.834 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)c2cccc(OC(F)F)c2)c1 ZINC000013167599 956948761 /nfs/dbraw/zinc/94/87/61/956948761.db2.gz LBEDTCUEVGXLSU-UHFFFAOYSA-N -1 0 341.697 3.892 20 0 EHADRM COc1ccc(Cl)cc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1 ZINC000013180437 956965166 /nfs/dbraw/zinc/96/51/66/956965166.db2.gz FBJPNTWAHKLGMW-HNNXBMFYSA-N -1 0 347.798 3.603 20 0 EHADRM CC(C)c1ccccc1NC(=O)CSc1ncccc1C(=O)[O-] ZINC000013188502 956974304 /nfs/dbraw/zinc/97/43/04/956974304.db2.gz WMLJSENOAIAAAA-UHFFFAOYSA-N -1 0 330.409 3.634 20 0 EHADRM O=C([O-])c1cccnc1SCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000013188755 956974967 /nfs/dbraw/zinc/97/49/67/956974967.db2.gz FESXKRBRYPCPEC-UHFFFAOYSA-N -1 0 347.783 3.776 20 0 EHADRM CC[C@@H](C)c1ccc(OS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000013307807 957013613 /nfs/dbraw/zinc/01/36/13/957013613.db2.gz RHDDIVGCUUVECW-SNVBAGLBSA-N -1 0 340.422 3.728 20 0 EHADRM Cc1ccsc1CCCC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000909425674 957015447 /nfs/dbraw/zinc/01/54/47/957015447.db2.gz ZCJHNZOPTYTIFM-INIZCTEOSA-N -1 0 343.448 3.590 20 0 EHADRM C[C@H](CC(=O)N1CCCC[C@H]1CC(=O)[O-])c1c[nH]c2ccccc21 ZINC000909497341 957024253 /nfs/dbraw/zinc/02/42/53/957024253.db2.gz LJNXPXKORFJFBO-KGLIPLIRSA-N -1 0 328.412 3.517 20 0 EHADRM Cc1cc(NC(=O)c2cccc(C(=O)[O-])c2)nn1C1CCCCC1 ZINC000910665056 957049742 /nfs/dbraw/zinc/04/97/42/957049742.db2.gz MJAGXDSAUSYPNP-UHFFFAOYSA-N -1 0 327.384 3.647 20 0 EHADRM O=C([O-])c1ccoc1CSc1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000013394809 957050005 /nfs/dbraw/zinc/05/00/05/957050005.db2.gz DIHPRERKKPKEIY-UHFFFAOYSA-N -1 0 335.772 3.709 20 0 EHADRM C[C@H]1C[C@H](C(=O)Nc2scc(-c3ccsc3)c2C(=O)[O-])CO1 ZINC001589265692 957077506 /nfs/dbraw/zinc/07/75/06/957077506.db2.gz JMYJGTIUSQYZLU-WPRPVWTQSA-N -1 0 337.422 3.538 20 0 EHADRM Cc1csc(Oc2ccc(NC(=O)CCCC(=O)[O-])cc2F)n1 ZINC000911716913 957089599 /nfs/dbraw/zinc/08/95/99/957089599.db2.gz ATPXSTKBSXMJPZ-UHFFFAOYSA-N -1 0 338.360 3.576 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1ccsc1C(F)F ZINC000923061830 957097760 /nfs/dbraw/zinc/09/77/60/957097760.db2.gz YGVWWPRTDQFQPH-LBPRGKRZSA-N -1 0 337.347 3.510 20 0 EHADRM COc1cccc(C[C@@H](C)CC(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000923066240 957099080 /nfs/dbraw/zinc/09/90/80/957099080.db2.gz HXWUXERUWYGEOB-CQSZACIVSA-N -1 0 341.407 3.530 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000389730239 972243342 /nfs/dbraw/zinc/24/33/42/972243342.db2.gz JNVWUQDGXJJWPZ-SECBINFHSA-N -1 0 347.198 3.983 20 0 EHADRM Cc1ccc(-c2csc3ncn(CCCC(=O)[O-])c(=O)c23)cc1C ZINC000020376365 957140576 /nfs/dbraw/zinc/14/05/76/957140576.db2.gz SJJMPYISNHIMKJ-UHFFFAOYSA-N -1 0 342.420 3.607 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)NC[C@@H]2CCCCC2(F)F)cc1F ZINC000389820395 972248820 /nfs/dbraw/zinc/24/88/20/972248820.db2.gz MYJIWZSGSYDIJE-QMMMGPOBSA-N -1 0 348.296 3.610 20 0 EHADRM COc1cccc(N[C@@H](C(=O)[O-])c2cccc(Br)c2)c1 ZINC000037961153 957339410 /nfs/dbraw/zinc/33/94/10/957339410.db2.gz AQRXDXPYJHOIBB-CQSZACIVSA-N -1 0 336.185 3.696 20 0 EHADRM O=C([O-])c1cc(NC(=O)NC[C@H]2CCCC2(F)F)ccc1Cl ZINC000390000650 972260228 /nfs/dbraw/zinc/26/02/28/972260228.db2.gz PRCWYMDEGLQZKT-MRVPVSSYSA-N -1 0 332.734 3.595 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc(-c3ccccc3)s2)C1 ZINC001327827064 957349893 /nfs/dbraw/zinc/34/98/93/957349893.db2.gz YQUJJXYGWXWQBU-GXTWGEPZSA-N -1 0 329.421 3.598 20 0 EHADRM Cc1csc(CN[C@](C)(C(=O)[O-])c2ccc(Cl)c(Cl)c2)n1 ZINC000041812721 957398105 /nfs/dbraw/zinc/39/81/05/957398105.db2.gz HAAPUXRAUFYJDL-AWEZNQCLSA-N -1 0 345.251 3.848 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)Nc2ccc3sccc3c2)c1 ZINC000390267034 972272198 /nfs/dbraw/zinc/27/21/98/972272198.db2.gz QDILRDDPACMOKY-UHFFFAOYSA-N -1 0 326.377 3.921 20 0 EHADRM CCCOc1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1Cl ZINC000055150876 957543591 /nfs/dbraw/zinc/54/35/91/957543591.db2.gz QIPOVUHXJKSUGU-UHFFFAOYSA-N -1 0 327.808 3.958 20 0 EHADRM O=C([O-])c1cc(NC(=O)/C=C/c2cccc(Cl)c2)c(F)cc1F ZINC000390335626 972276676 /nfs/dbraw/zinc/27/66/76/972276676.db2.gz UNQFXXIEECWIPD-SNAWJCMRSA-N -1 0 337.709 3.968 20 0 EHADRM Cc1ccc(S(=O)(=O)N(C)c2cccc(C(C)C)c2)cc1C(=O)[O-] ZINC000063181931 957637565 /nfs/dbraw/zinc/63/75/65/957637565.db2.gz MEYHJFXZNYZWSJ-UHFFFAOYSA-N -1 0 347.436 3.642 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccccc1C(=O)[O-])Oc1ccccc1Cl ZINC001603183596 972282415 /nfs/dbraw/zinc/28/24/15/972282415.db2.gz JNLJSDVLTBEISM-NSHDSACASA-N -1 0 348.786 3.627 20 0 EHADRM Cc1cc(C(=O)CS[C@@H](C)C(=O)[O-])c(C)n1Cc1ccc(F)cc1 ZINC001594274365 957707660 /nfs/dbraw/zinc/70/76/60/957707660.db2.gz BZDQFNDGQYJATD-ZDUSSCGKSA-N -1 0 349.427 3.681 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c(C)n1CC1CC1 ZINC001594277881 957725850 /nfs/dbraw/zinc/72/58/50/957725850.db2.gz NDOWIZNOJBIDEV-INIZCTEOSA-N -1 0 334.460 3.524 20 0 EHADRM Cc1cc(C(=O)NC2(C(=O)[O-])CCCCCC2)nn1C1CCCCC1 ZINC001594277638 957725858 /nfs/dbraw/zinc/72/58/58/957725858.db2.gz IVOQIYKVBJOERD-UHFFFAOYSA-N -1 0 347.459 3.604 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N(Cc1c(Cl)cccc1Cl)C1CC1 ZINC001574761979 957739947 /nfs/dbraw/zinc/73/99/47/957739947.db2.gz YVSUWYUMJILSGK-GHMZBOCLSA-N -1 0 342.222 3.595 20 0 EHADRM Cc1cc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)cc(C)n1 ZINC001594281471 957749032 /nfs/dbraw/zinc/74/90/32/957749032.db2.gz PCNBKHWWNOZDEU-UHFFFAOYSA-N -1 0 330.409 3.589 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCC(OC3CCCCC3)CC2)c1 ZINC001594282562 957759239 /nfs/dbraw/zinc/75/92/39/957759239.db2.gz UACXPEPJQQBJCJ-UHFFFAOYSA-N -1 0 345.439 3.647 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NCc2cccc(C(F)(F)F)c2)c1 ZINC001594285659 957776548 /nfs/dbraw/zinc/77/65/48/957776548.db2.gz LNPFJKPWFLWPQM-UHFFFAOYSA-N -1 0 337.297 3.642 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N2CCCCC[C@@H]2C(=O)[O-])c1 ZINC000083882930 957838117 /nfs/dbraw/zinc/83/81/17/957838117.db2.gz UQLFTUAVUQLEGS-CYBMUJFWSA-N -1 0 327.833 3.531 20 0 EHADRM C[C@@H](CNc1cnn(CC(=O)[O-])c1)Cc1ccc(C(C)(C)C)cc1 ZINC001603193734 972299339 /nfs/dbraw/zinc/29/93/39/972299339.db2.gz SLWMJXMKUHBRNT-CQSZACIVSA-N -1 0 329.444 3.556 20 0 EHADRM Cc1cc(C)cc(-c2nnc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)s2)c1 ZINC001594294412 957860540 /nfs/dbraw/zinc/86/05/40/957860540.db2.gz LDOSXPJSWQRVRR-LBPRGKRZSA-N -1 0 347.440 3.507 20 0 EHADRM O=C([O-])c1cccnc1NC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC001574814851 957880423 /nfs/dbraw/zinc/88/04/23/957880423.db2.gz ARWSOKRXUYPBRF-SJORKVTESA-N -1 0 332.359 3.675 20 0 EHADRM Cc1cc(C)cc(CN(C)C(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC001594298462 957887028 /nfs/dbraw/zinc/88/70/28/957887028.db2.gz OYPRHKXVIZAEIH-UHFFFAOYSA-N -1 0 326.396 3.594 20 0 EHADRM CON(C[C@@H]1CCC[C@H](C)C1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001594044123 957904386 /nfs/dbraw/zinc/90/43/86/957904386.db2.gz RIHRIIQSCQUPBV-UONOGXRCSA-N -1 0 334.416 3.535 20 0 EHADRM Cc1cc(C)cc([C@H](C)NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC001340476744 957920002 /nfs/dbraw/zinc/92/00/02/957920002.db2.gz KXCYJGYBXREEII-JKSUJKDBSA-N -1 0 332.444 3.651 20 0 EHADRM C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC001603199815 972304891 /nfs/dbraw/zinc/30/48/91/972304891.db2.gz NIJJVLWOTYIQHK-ABKXIKBNSA-N -1 0 344.238 3.542 20 0 EHADRM Cc1cc(CNC(=O)c2ccc(C(=O)[O-])cn2)ccc1-c1ccccc1 ZINC001594304894 957960823 /nfs/dbraw/zinc/96/08/23/957960823.db2.gz XZANXNNMUMUDRR-UHFFFAOYSA-N -1 0 346.386 3.685 20 0 EHADRM C[C@H](NC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21)C1CCC(F)CC1 ZINC001341432856 957993344 /nfs/dbraw/zinc/99/33/44/957993344.db2.gz MJNIFDFZBSVETG-JIMPKYJGSA-N -1 0 348.418 3.516 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Nc1ccn(C2CCCCC2)n1 ZINC001343346879 958039194 /nfs/dbraw/zinc/03/91/94/958039194.db2.gz HNUKCMLXTPCRBO-AWEZNQCLSA-N -1 0 348.447 3.640 20 0 EHADRM C[C@@H](Cc1ccco1)C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001603207490 972317618 /nfs/dbraw/zinc/31/76/18/972317618.db2.gz UAECFBNXFUVXFZ-JTQLQIEISA-N -1 0 333.409 3.735 20 0 EHADRM Cc1cc(NC(=O)N2CCC=C(c3ccco3)C2)ccc1C(=O)[O-] ZINC001594317683 958086901 /nfs/dbraw/zinc/08/69/01/958086901.db2.gz PIKVFVRFLVUZQD-UHFFFAOYSA-N -1 0 326.352 3.607 20 0 EHADRM Cc1cc(NC(=O)NCC[C@H]2CCCC2(F)F)ccc1C(=O)[O-] ZINC001594318613 958100282 /nfs/dbraw/zinc/10/02/82/958100282.db2.gz LEUZAEDIYARUAS-LLVKDONJSA-N -1 0 326.343 3.640 20 0 EHADRM C[C@H](c1ccc(Cl)c(Cl)c1)N1CCSC[C@@H]1CC(=O)[O-] ZINC000091133741 958127018 /nfs/dbraw/zinc/12/70/18/958127018.db2.gz VURYNVJGOORZQG-KOLCDFICSA-N -1 0 334.268 3.947 20 0 EHADRM Cc1cc(NC(=O)N[C@H](CC(C)C)C(=O)[O-])ccc1-c1ccncc1 ZINC001594323561 958144435 /nfs/dbraw/zinc/14/44/35/958144435.db2.gz ZUCVVGLZUMHQGN-QGZVFWFLSA-N -1 0 341.411 3.678 20 0 EHADRM COc1ccc(Cl)cc1CN1CCc2ccc(C(=O)[O-])cc2C1 ZINC000391249392 972325803 /nfs/dbraw/zinc/32/58/03/972325803.db2.gz OWWHJLSUJSBDQE-UHFFFAOYSA-N -1 0 331.799 3.605 20 0 EHADRM CC[C@H](CNC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1)C(=O)[O-] ZINC001357173793 958189563 /nfs/dbraw/zinc/18/95/63/958189563.db2.gz HOVBYMHAWVEAPQ-DYVFJYSZSA-N -1 0 343.427 3.515 20 0 EHADRM O=C([O-])[C@H]1CCCCCN1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000391308023 972328392 /nfs/dbraw/zinc/32/83/92/972328392.db2.gz CJUMJPQSYUYCFK-CQSZACIVSA-N -1 0 334.803 3.824 20 0 EHADRM Cc1cc2cc(NC(=O)N[C@H](C(=O)[O-])c3ccc(F)cc3)ccc2[nH]1 ZINC001594331012 958218071 /nfs/dbraw/zinc/21/80/71/958218071.db2.gz DNWUNOGLPZPCAX-INIZCTEOSA-N -1 0 341.342 3.563 20 0 EHADRM CC[C@](C)(NC(=O)CCCSc1ccc(Cl)cc1)C(=O)[O-] ZINC000094220178 958265267 /nfs/dbraw/zinc/26/52/67/958265267.db2.gz HGHNEYIKSLSFCD-HNNXBMFYSA-N -1 0 329.849 3.582 20 0 EHADRM C[C@@H](NC(=O)CCCCC(=O)[O-])c1ccc(Oc2cccnc2)cc1 ZINC001603220622 972341707 /nfs/dbraw/zinc/34/17/07/972341707.db2.gz UHQYJZOUVPKKCZ-CQSZACIVSA-N -1 0 342.395 3.696 20 0 EHADRM Cc1ccc(C)c2sc(NC(=O)[C@]3(C(=O)[O-])CC=CCC3)nc21 ZINC001594353196 958378646 /nfs/dbraw/zinc/37/86/46/958378646.db2.gz KBMJKYFBVBQGLR-KRWDZBQOSA-N -1 0 330.409 3.663 20 0 EHADRM Cc1ccc(CN(C)C(=O)Nc2cccc(CC(=O)[O-])c2)cc1C ZINC001594358775 958429576 /nfs/dbraw/zinc/42/95/76/958429576.db2.gz HZYAIUVWGQZDGH-UHFFFAOYSA-N -1 0 326.396 3.594 20 0 EHADRM Cc1nc(N(C)Cc2cc(Br)cs2)ccc1C(=O)[O-] ZINC000124223781 958523316 /nfs/dbraw/zinc/52/33/16/958523316.db2.gz BIGPHFBVLVGGHV-UHFFFAOYSA-N -1 0 341.230 3.549 20 0 EHADRM CC[C@@H](CSC)N(C)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000124311158 958525347 /nfs/dbraw/zinc/52/53/47/958525347.db2.gz YBCUAQVCNHXVME-LBPRGKRZSA-N -1 0 330.837 3.644 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N(CC2CC2)CC2CC2)cc1 ZINC000391682293 972357064 /nfs/dbraw/zinc/35/70/64/972357064.db2.gz XWVYDARRSLPGAY-UHFFFAOYSA-N -1 0 330.428 3.703 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)C3(C(=O)[O-])CCC3)cn2)cc1C ZINC001594375769 958585336 /nfs/dbraw/zinc/58/53/36/958585336.db2.gz GRAONGJFRZATAI-UHFFFAOYSA-N -1 0 340.379 3.684 20 0 EHADRM Cc1ccc(Oc2ccccc2CC(=O)NC(C)(C)CC(=O)[O-])cc1 ZINC001594376958 958597666 /nfs/dbraw/zinc/59/76/66/958597666.db2.gz OFUTUCGJKOPLKS-UHFFFAOYSA-N -1 0 341.407 3.699 20 0 EHADRM Nc1c(Cl)cc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000126671244 958599521 /nfs/dbraw/zinc/59/95/21/958599521.db2.gz FDBVUVVUFJVAGF-UHFFFAOYSA-N -1 0 325.151 3.526 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)Nc2ncccc2C(=O)[O-])c1 ZINC001594123190 958607490 /nfs/dbraw/zinc/60/74/90/958607490.db2.gz CXXFWWJZOKEWNH-CYBMUJFWSA-N -1 0 342.395 3.701 20 0 EHADRM Cc1ccc2cc(C(=O)N[C@H]3C[C@@H](C(=O)[O-])c4ccccc43)ccc2n1 ZINC001594382218 958645031 /nfs/dbraw/zinc/64/50/31/958645031.db2.gz RQZFZLQRVHKLTK-MJGOQNOKSA-N -1 0 346.386 3.586 20 0 EHADRM Cc1sc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1-c1ccc(F)cc1 ZINC000128562711 958667709 /nfs/dbraw/zinc/66/77/09/958667709.db2.gz IQLJVDXMNUUGKI-ZDUSSCGKSA-N -1 0 347.411 3.799 20 0 EHADRM COc1ccc(CCC(=O)Nc2cc(C(=O)[O-])ccc2C)cc1Cl ZINC000391758335 972367744 /nfs/dbraw/zinc/36/77/44/972367744.db2.gz VYFHLKAHHPAMNG-UHFFFAOYSA-N -1 0 347.798 3.927 20 0 EHADRM Cc1cccc([C@@H](NC(=O)[C@@H](C)c2cccc(Cl)c2)C(=O)[O-])c1 ZINC001594390200 958703491 /nfs/dbraw/zinc/70/34/91/958703491.db2.gz FVNVOVCZSZLAHU-BLLLJJGKSA-N -1 0 331.799 3.694 20 0 EHADRM Cc1ccc2c(c1)CN(C(=O)c1coc(/C=C/C(=O)[O-])c1)C(C)(C)C2 ZINC001594390885 958718274 /nfs/dbraw/zinc/71/82/74/958718274.db2.gz YONMRKDJQDTFSW-VOTSOKGWSA-N -1 0 339.391 3.663 20 0 EHADRM Cc1cccc([C@H](NC(=O)Nc2nc(C(C)(C)C)cs2)C(=O)[O-])c1 ZINC001594392667 958743770 /nfs/dbraw/zinc/74/37/70/958743770.db2.gz IAVAXCZIFBKEHX-ZDUSSCGKSA-N -1 0 347.440 3.696 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2cc3c(s2)CC[C@@H](C)C3)C(=O)[O-])c1 ZINC001594392780 958745069 /nfs/dbraw/zinc/74/50/69/958745069.db2.gz KEFZMNBUMZBTHE-PXAZEXFGSA-N -1 0 343.448 3.737 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(Cl)cc1Br ZINC000131415583 958749757 /nfs/dbraw/zinc/74/97/57/958749757.db2.gz ADOOWVUEDKGWIC-ZETCQYMHSA-N -1 0 334.597 3.542 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1cc(Cl)ccc1Br ZINC000131425021 958749944 /nfs/dbraw/zinc/74/99/44/958749944.db2.gz PVAGENOUZLGNOR-SSDOTTSWSA-N -1 0 334.597 3.542 20 0 EHADRM COc1ccccc1CC(C)(C)C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001594144552 958750825 /nfs/dbraw/zinc/75/08/25/958750825.db2.gz UUQYLHHMHZFVED-OAHLLOKOSA-N -1 0 349.471 3.660 20 0 EHADRM O=C([O-])C1(NC(=O)C2CC(c3ccc(F)cc3)C2)CCCCCC1 ZINC001605736003 972375845 /nfs/dbraw/zinc/37/58/45/972375845.db2.gz NBTRMEWZLZEREV-UHFFFAOYSA-N -1 0 333.403 3.613 20 0 EHADRM CCCCCCNC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000132564950 958790484 /nfs/dbraw/zinc/79/04/84/958790484.db2.gz FYTJQYLMNHJBNU-UHFFFAOYSA-N -1 0 343.221 3.849 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(Cl)c(Br)c2)o1 ZINC000132825394 958804335 /nfs/dbraw/zinc/80/43/35/958804335.db2.gz VOHDXUTYMPOYCE-UHFFFAOYSA-N -1 0 344.548 3.646 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)N[C@H](C(=O)[O-])c1cccc(C)c1 ZINC001594399109 958820239 /nfs/dbraw/zinc/82/02/39/958820239.db2.gz KBWJBZGASQWDFV-ZDUSSCGKSA-N -1 0 346.452 3.613 20 0 EHADRM CC(C)[C@H](CNC(=O)[C@@]1(C(=O)[O-])CC1(C)C)c1ccc(Cl)cc1 ZINC001573489209 958995281 /nfs/dbraw/zinc/99/52/81/958995281.db2.gz BDVVFEYYFWBWBV-KBXCAEBGSA-N -1 0 337.847 3.697 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1)C(=O)[O-] ZINC001573509712 959087446 /nfs/dbraw/zinc/08/74/46/959087446.db2.gz QQQYWFVHHGWZFA-KZNAEPCWSA-N -1 0 331.456 3.509 20 0 EHADRM C[C@@H](C(=O)Nc1ccccc1CC(=O)[O-])c1cn(C)c2ccccc12 ZINC001588560787 959097435 /nfs/dbraw/zinc/09/74/35/959097435.db2.gz OXLDBKWPOQRWSE-CYBMUJFWSA-N -1 0 336.391 3.548 20 0 EHADRM Cc1cnc2c(NC(=O)[C@@]3(C(=O)[O-])CC3(C)C)cccc2c1Cl ZINC001594429835 959165273 /nfs/dbraw/zinc/16/52/73/959165273.db2.gz HFFJRYJFCSFMME-QGZVFWFLSA-N -1 0 332.787 3.636 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)N[C@H](CCCc1ccccc1)c1ccccc1 ZINC001588568993 959168948 /nfs/dbraw/zinc/16/89/48/959168948.db2.gz YNIQAWWMLBVCSA-CRAIPNDOSA-N -1 0 325.408 3.588 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)N[C@@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC001588569141 959172982 /nfs/dbraw/zinc/17/29/82/959172982.db2.gz CNXDRZFKPMZEGD-SJKOYZFVSA-N -1 0 343.448 3.553 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N2[C@H](C)CCC[C@@H]2C(=O)[O-])c1 ZINC001594193775 959181107 /nfs/dbraw/zinc/18/11/07/959181107.db2.gz KWCNTQCXPBLZEV-NOZJJQNGSA-N -1 0 327.833 3.530 20 0 EHADRM CC(C)C[C@H](Nc1nc(-c2ccccn2)nc2sccc21)C(=O)[O-] ZINC001573539733 959188059 /nfs/dbraw/zinc/18/80/59/959188059.db2.gz YVMGYAWDKYINOY-ZDUSSCGKSA-N -1 0 342.424 3.665 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])c1 ZINC001573543717 959195375 /nfs/dbraw/zinc/19/53/75/959195375.db2.gz KSCXSSSCRVLVOG-RLFYNMQTSA-N -1 0 331.456 3.700 20 0 EHADRM CSc1ccccc1CC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001594196035 959195984 /nfs/dbraw/zinc/19/59/84/959195984.db2.gz HBBMXZWFPGZBKR-UHFFFAOYSA-N -1 0 329.421 3.607 20 0 EHADRM CSc1ccccc1[C@@H](C)NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001594198026 959215146 /nfs/dbraw/zinc/21/51/46/959215146.db2.gz SZXYNYFCHPGAAH-SKVAFPRGSA-N -1 0 331.393 3.590 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)Nc1ccc(-c2nc3c(cccc3Cl)[nH]2)cc1 ZINC001588575419 959218036 /nfs/dbraw/zinc/21/80/36/959218036.db2.gz CFVAXVUZJOUNOQ-SECBINFHSA-N -1 0 343.770 3.543 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 ZINC001588575399 959218579 /nfs/dbraw/zinc/21/85/79/959218579.db2.gz MSZXJCMCYDCDDZ-LLVKDONJSA-N -1 0 333.771 3.578 20 0 EHADRM CCC(CC)(CNC(=O)Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000165006606 959269804 /nfs/dbraw/zinc/26/98/04/959269804.db2.gz MJTCYFSFRANQAA-UHFFFAOYSA-N -1 0 332.227 3.543 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC001588583510 959277962 /nfs/dbraw/zinc/27/79/62/959277962.db2.gz BPYJSMDBSDNDOF-IUCAKERBSA-N -1 0 348.251 3.632 20 0 EHADRM Cc1nc(-c2ccccc2)sc1NC(=O)NC1(C(=O)[O-])CCCC1 ZINC001594445962 959329340 /nfs/dbraw/zinc/32/93/40/959329340.db2.gz MZMIDFWKNZUJBY-UHFFFAOYSA-N -1 0 345.424 3.637 20 0 EHADRM Cc1nc(-c2ccccc2)sc1COC(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC001594446125 959329575 /nfs/dbraw/zinc/32/95/75/959329575.db2.gz TXVSUPBHEZKXIL-GOSISDBHSA-N -1 0 345.420 3.663 20 0 EHADRM Cc1nc(C(=O)Nc2sc3c(c2C(=O)[O-])CCC(C)(C)C3)co1 ZINC001594447152 959341169 /nfs/dbraw/zinc/34/11/69/959341169.db2.gz GHJQDORSFOHOIS-UHFFFAOYSA-N -1 0 334.397 3.510 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(COc3ccccc3)cc2)cn1 ZINC000179723193 959436154 /nfs/dbraw/zinc/43/61/54/959436154.db2.gz NOMUTHRWRAFOBI-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM O=C([O-])c1coc(C(=O)N(Cc2cccs2)Cc2cccs2)c1 ZINC000183753741 959446757 /nfs/dbraw/zinc/44/67/57/959446757.db2.gz ZCHRNOASDWYIAA-UHFFFAOYSA-N -1 0 347.417 3.943 20 0 EHADRM O=C([O-])c1coc(C(=O)N(CCc2ccccc2)C2CCCC2)c1 ZINC000183783739 959448661 /nfs/dbraw/zinc/44/86/61/959448661.db2.gz XHJGXBMORMKYPY-UHFFFAOYSA-N -1 0 327.380 3.605 20 0 EHADRM O=C([O-])c1coc(C(=O)Nc2nc3ccccc3n2C2CCCC2)c1 ZINC000183797680 959452260 /nfs/dbraw/zinc/45/22/60/959452260.db2.gz UWVBZSARBLGYCI-UHFFFAOYSA-N -1 0 339.351 3.695 20 0 EHADRM Cc1nc([C@H]2CCCN2C(=O)Nc2ccccc2C(=O)[O-])cs1 ZINC001594460555 959454486 /nfs/dbraw/zinc/45/44/86/959454486.db2.gz COJPMWBZKQVDCN-CQSZACIVSA-N -1 0 331.397 3.519 20 0 EHADRM Cc1nc2c(s1)[C@H]([N@H+](C)CCOc1ccccc1C(=O)[O-])CCC2 ZINC000183936222 959457424 /nfs/dbraw/zinc/45/74/24/959457424.db2.gz AAAYAXZIRADNGG-OAHLLOKOSA-N -1 0 346.452 3.538 20 0 EHADRM Cc1nc2cc(F)ccc2cc1C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001594463200 959476353 /nfs/dbraw/zinc/47/63/53/959476353.db2.gz RILVNGVSEJQNNP-UHFFFAOYSA-N -1 0 339.322 3.738 20 0 EHADRM Cc1nc2ccc(COC(=O)c3ccc(C(=O)[O-])cc3)cc2s1 ZINC001594464306 959492749 /nfs/dbraw/zinc/49/27/49/959492749.db2.gz QQMPHZGMDQXUSE-UHFFFAOYSA-N -1 0 327.361 3.660 20 0 EHADRM CC(C)(C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)[C@@H]1CCCCO1 ZINC001588610088 959502440 /nfs/dbraw/zinc/50/24/40/959502440.db2.gz NSEYMCWIBBHBFQ-NSHDSACASA-N -1 0 343.782 3.711 20 0 EHADRM COc1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1C(=O)[O-] ZINC000190510039 959511471 /nfs/dbraw/zinc/51/14/71/959511471.db2.gz BEAKGIYVJVELTC-ARFHVFGLSA-N -1 0 345.439 3.616 20 0 EHADRM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000190610887 959513784 /nfs/dbraw/zinc/51/37/84/959513784.db2.gz ZNUIMCRJHBATAN-QMMMGPOBSA-N -1 0 336.775 3.775 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2c2cccc3ccccc32)cn1 ZINC000190623035 959514844 /nfs/dbraw/zinc/51/48/44/959514844.db2.gz XXFZNJXUVFGEAY-LJQANCHMSA-N -1 0 346.386 3.910 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)c1cc(-c2ccccn2)ccc1Cl)C(=O)[O-] ZINC000190821247 959524535 /nfs/dbraw/zinc/52/45/35/959524535.db2.gz CURJTSYMYDZRDP-MEDUHNTESA-N -1 0 346.814 3.631 20 0 EHADRM C[C@H](CC(=O)NCCCCCC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000190879391 959525951 /nfs/dbraw/zinc/52/59/51/959525951.db2.gz FHDXLSLUXPPYIX-ZDUSSCGKSA-N -1 0 325.836 3.670 20 0 EHADRM C[C@H](NC(=O)c1coc(/C=C/C(=O)[O-])c1)c1ccc(Cl)s1 ZINC001594240746 959530155 /nfs/dbraw/zinc/53/01/55/959530155.db2.gz VJGCAOLVMMASLB-NCJLJLRUSA-N -1 0 325.773 3.583 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)C2(c3cccc(F)c3)CC2)cc1)C(=O)[O-] ZINC000191445693 959570875 /nfs/dbraw/zinc/57/08/75/959570875.db2.gz LKJKOFLIOBBJIK-CYBMUJFWSA-N -1 0 341.382 3.759 20 0 EHADRM Cc1ccc(C)c(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000191536041 959579480 /nfs/dbraw/zinc/57/94/80/959579480.db2.gz KKUIZQOQRHCFIB-QGZVFWFLSA-N -1 0 325.408 3.509 20 0 EHADRM Cc1ccccc1CCC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000191547386 959581199 /nfs/dbraw/zinc/58/11/99/959581199.db2.gz FJZRRDWXANXBJO-IBGZPJMESA-N -1 0 339.435 3.520 20 0 EHADRM CCC(CC)C(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000192888150 959594560 /nfs/dbraw/zinc/59/45/60/959594560.db2.gz IJRSJIIYYXOWRM-CYBMUJFWSA-N -1 0 342.233 3.517 20 0 EHADRM C[C@H](C(=O)N(CCCC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC000192912446 959597156 /nfs/dbraw/zinc/59/71/56/959597156.db2.gz DGARZESBGMIJHA-INIZCTEOSA-N -1 0 325.408 3.684 20 0 EHADRM CC(C)[C@@H](C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000193077718 959611230 /nfs/dbraw/zinc/61/12/30/959611230.db2.gz CULKPFTWCAAYJF-WIYYLYMNSA-N -1 0 339.435 3.585 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N(C(=O)COCC(=O)[O-])c1ccccc1 ZINC001573642915 959624892 /nfs/dbraw/zinc/62/48/92/959624892.db2.gz LDYKXPGWUBVHAI-ZDUSSCGKSA-N -1 0 347.798 3.535 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)Nc1ccc2c(c1)[C@H](O)CCCC2 ZINC001573655494 959668182 /nfs/dbraw/zinc/66/81/82/959668182.db2.gz FIFWBQAVBYMVSV-OAHLLOKOSA-N -1 0 345.439 3.522 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCC(c2ccc(Cl)cc2)CC1 ZINC001573665368 959690874 /nfs/dbraw/zinc/69/08/74/959690874.db2.gz WELGCKVHSHEBIM-SFHVURJKSA-N -1 0 335.831 3.547 20 0 EHADRM Cc1c2occ(CC(=O)N3C[C@@H](C(=O)[O-])CC[C@@H]3C)c2ccc1Cl ZINC001594262427 959708072 /nfs/dbraw/zinc/70/80/72/959708072.db2.gz FQLCDFJZWHJVPL-JQWIXIFHSA-N -1 0 349.814 3.649 20 0 EHADRM CC(C)(C)C1CCC(=CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1 ZINC001588643548 959717228 /nfs/dbraw/zinc/71/72/28/959717228.db2.gz SLRJMZSLAFLZGB-LRUHZDSUSA-N -1 0 333.472 3.718 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2cccc(F)c2C(C)(F)F)C1 ZINC001573697652 959789501 /nfs/dbraw/zinc/78/95/01/959789501.db2.gz BJWUJBPKGOMGPV-NXEZZACHSA-N -1 0 344.333 3.512 20 0 EHADRM Cc1cc(Br)c(NC(=O)[C@@H](C(=O)[O-])C(C)C)cc1Cl ZINC001594269897 959789925 /nfs/dbraw/zinc/78/99/25/959789925.db2.gz CWFLGMMVTJPYPQ-NSHDSACASA-N -1 0 348.624 3.706 20 0 EHADRM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001573701622 959836222 /nfs/dbraw/zinc/83/62/22/959836222.db2.gz QDIASJMPRFKYFT-DOLQZWNJSA-N -1 0 340.782 3.591 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001573701764 959838273 /nfs/dbraw/zinc/83/82/73/959838273.db2.gz RTXOUXXRMIMNNY-DVOMOZLQSA-N -1 0 339.395 3.578 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)c1cc3ccccc3s1)C2 ZINC000392310018 972468173 /nfs/dbraw/zinc/46/81/73/972468173.db2.gz DVWLMSZJXBLFFK-UHFFFAOYSA-N -1 0 337.400 3.798 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)c1cccc(OC(F)(F)F)c1 ZINC000392315396 972469958 /nfs/dbraw/zinc/46/99/58/972469958.db2.gz PUPHKYOQVVCERV-UHFFFAOYSA-N -1 0 343.232 3.675 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000392352459 972474795 /nfs/dbraw/zinc/47/47/95/972474795.db2.gz QKBBTQQUHUQMOF-UHFFFAOYSA-N -1 0 344.348 3.790 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC[C@@H]1CCC2(CCCC2)O1 ZINC000392514241 972492777 /nfs/dbraw/zinc/49/27/77/972492777.db2.gz FODHRADWBUUJHO-PKYBCLHXSA-N -1 0 332.396 3.664 20 0 EHADRM C[C@H]1CCc2c(sc3ncnc(N4CCC[C@@H](CC(=O)[O-])C4)c32)C1 ZINC001573738680 960472222 /nfs/dbraw/zinc/47/22/22/960472222.db2.gz JMDSECHPIDQNMI-RYUDHWBXSA-N -1 0 345.468 3.507 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(Cl)nc1Cl ZINC000235776677 960494700 /nfs/dbraw/zinc/49/47/00/960494700.db2.gz MIHKYYVMPXMQSZ-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM C[C@H]1CN(C(=O)c2coc(/C=C/C(=O)[O-])c2)c2ccccc2S1 ZINC001573747525 960505711 /nfs/dbraw/zinc/50/57/11/960505711.db2.gz DYHPEABOMLPJEE-MLRMMBSGSA-N -1 0 329.377 3.518 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)c1cc(Cl)nc(Cl)c1 ZINC000235834463 960509727 /nfs/dbraw/zinc/50/97/27/960509727.db2.gz OIRPITQKUKWHES-UHFFFAOYSA-N -1 0 331.180 3.709 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(F)cc2C(C)(F)F)CC[C@@H]1C(=O)[O-] ZINC001573750128 960552109 /nfs/dbraw/zinc/55/21/09/960552109.db2.gz VJRRSVQYZKCLFY-ONGXEEELSA-N -1 0 344.333 3.512 20 0 EHADRM CSc1ccc([C@H](C)NC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC001574257995 960552413 /nfs/dbraw/zinc/55/24/13/960552413.db2.gz RNKZZQWTXLKEGY-YAEJEKNGSA-N -1 0 331.393 3.590 20 0 EHADRM C[C@@H]1Cc2ccccc2N1Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001573757014 960564136 /nfs/dbraw/zinc/56/41/36/960564136.db2.gz FOKXHYOWCGFPIM-GDBMZVCRSA-N -1 0 340.423 3.532 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccc(Cl)cc2Br)C1 ZINC000236452439 960624186 /nfs/dbraw/zinc/62/41/86/960624186.db2.gz IQNOARGTZHZXHU-JGVFFNPUSA-N -1 0 346.608 3.542 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2)cc1)C1CC1 ZINC000392788940 972522324 /nfs/dbraw/zinc/52/23/24/972522324.db2.gz NDURXJXQZRVKCF-QGZVFWFLSA-N -1 0 340.379 3.854 20 0 EHADRM Cc1c2cccc(Cl)c2[nH]c1C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC001574296447 960696217 /nfs/dbraw/zinc/69/62/17/960696217.db2.gz LDSBFIYZDZWUJV-LLVKDONJSA-N -1 0 336.819 3.606 20 0 EHADRM CC(C)(C)CC(=O)N[C@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000236589130 960712920 /nfs/dbraw/zinc/71/29/20/960712920.db2.gz NWZQNNNRVMSMFM-GFCCVEGCSA-N -1 0 347.333 3.653 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000236618734 960717645 /nfs/dbraw/zinc/71/76/45/960717645.db2.gz FHARJDSUPZPQJT-BZSNNMDCSA-N -1 0 325.408 3.559 20 0 EHADRM CCCCOc1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000236669619 960727176 /nfs/dbraw/zinc/72/71/76/960727176.db2.gz IFDLBDYJZFGFJG-HNNXBMFYSA-N -1 0 333.428 3.583 20 0 EHADRM C/C(=C/C(=O)N[C@H](CC(=O)[O-])c1cccs1)c1ccc(F)cc1 ZINC000236663844 960727997 /nfs/dbraw/zinc/72/79/97/960727997.db2.gz YTGDFKRQJZBMAT-RBJHHQRMSA-N -1 0 333.384 3.623 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1cc(-c2ccco2)nn1C(C)C ZINC001573784954 960732724 /nfs/dbraw/zinc/73/27/24/960732724.db2.gz OMEINMUARQJKCN-UHFFFAOYSA-N -1 0 333.388 3.554 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)CCSc1ccccc1Cl ZINC000236708154 960737749 /nfs/dbraw/zinc/73/77/49/960737749.db2.gz DMGLQULBSUMVGB-UHFFFAOYSA-N -1 0 343.876 3.782 20 0 EHADRM CC(C)(C(=O)Nc1ccc(OCCC(=O)[O-])cc1)c1ccccc1F ZINC000236727573 960744790 /nfs/dbraw/zinc/74/47/90/960744790.db2.gz VBDWUXYTXOSSQY-UHFFFAOYSA-N -1 0 345.370 3.596 20 0 EHADRM CCC[C@@H](NC(=O)c1occc1CSc1ccccc1)C(=O)[O-] ZINC000236890206 960788670 /nfs/dbraw/zinc/78/86/70/960788670.db2.gz FRDHGPLCKKUBQT-CQSZACIVSA-N -1 0 333.409 3.555 20 0 EHADRM CC[C@@H](C)[C@@H](C(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000236931807 960802483 /nfs/dbraw/zinc/80/24/83/960802483.db2.gz ARKJRXOIFRPFNR-DNVCBOLYSA-N -1 0 339.435 3.873 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NCC(C)(C)c2ccc(F)cc2)c1 ZINC001574318168 960803335 /nfs/dbraw/zinc/80/33/35/960803335.db2.gz PXKRBQVVRUQIIK-UHFFFAOYSA-N -1 0 329.371 3.540 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)C1(Sc2ccc(C)cc2)CCCC1 ZINC000237015149 960835434 /nfs/dbraw/zinc/83/54/34/960835434.db2.gz JFLNPGHSFZKXGH-UHFFFAOYSA-N -1 0 335.469 3.723 20 0 EHADRM CC[C@H]1CN(C(=O)c2ccc(C(=O)[O-])o2)CC[C@H]1c1ccccc1 ZINC000237066368 960863046 /nfs/dbraw/zinc/86/30/46/960863046.db2.gz QGPVLLVIISDWHH-DZGCQCFKSA-N -1 0 327.380 3.634 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])nc1)c1ccc(Oc2ccccc2)cc1 ZINC000237085407 960867634 /nfs/dbraw/zinc/86/76/34/960867634.db2.gz OMLWSGJLWYNQPR-UHFFFAOYSA-N -1 0 348.358 3.849 20 0 EHADRM Cc1cc(Cl)c(NC(=O)c2ccc(OCC(=O)[O-])cc2)cc1C ZINC001574329663 960869526 /nfs/dbraw/zinc/86/95/26/960869526.db2.gz GQGSNZDHTGYFDK-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000237349846 960914595 /nfs/dbraw/zinc/91/45/95/960914595.db2.gz FALFPXIYSHTUGG-IKICRFKJSA-N -1 0 347.430 3.639 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N1CCc2sccc2C1)C(=O)[O-] ZINC000237369884 960920252 /nfs/dbraw/zinc/92/02/52/960920252.db2.gz RHSNLYCKYQCVEB-LLVKDONJSA-N -1 0 347.461 3.512 20 0 EHADRM CC[C@H](OC(=O)Cc1ccccc1C(=O)[O-])c1cccc(OC)c1 ZINC001573814100 960920300 /nfs/dbraw/zinc/92/03/00/960920300.db2.gz UDDIOSQGRFDJHO-KRWDZBQOSA-N -1 0 328.364 3.630 20 0 EHADRM C[C@@H](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])C1CCCCC1 ZINC000237379695 960923199 /nfs/dbraw/zinc/92/31/99/960923199.db2.gz XVUMKYIQXVUQAJ-KSSFIOAISA-N -1 0 329.440 3.631 20 0 EHADRM Cc1cc(NC(=O)N[C@H]2COc3c2cccc3Cl)ccc1C(=O)[O-] ZINC001574338339 960926560 /nfs/dbraw/zinc/92/65/60/960926560.db2.gz ONBRQCVDQIXKKJ-AWEZNQCLSA-N -1 0 346.770 3.602 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 ZINC000237456197 960936293 /nfs/dbraw/zinc/93/62/93/960936293.db2.gz FFTJQDVFVGYURG-DJYGCBNOSA-N -1 0 333.384 3.547 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)N[C@H]2c3ccccc3CC[C@H]2C)C1 ZINC001573820802 960951749 /nfs/dbraw/zinc/95/17/49/960951749.db2.gz UJAUBQQQEJBQOL-ZTQAJYAQSA-N -1 0 344.455 3.596 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000237523873 960952998 /nfs/dbraw/zinc/95/29/98/960952998.db2.gz AVKXEMHMXFTRAT-GXTWGEPZSA-N -1 0 349.477 3.702 20 0 EHADRM Cc1cc2c(CC(=O)N3CCC[C@H](C)[C@@H]3C(=O)[O-])csc2s1 ZINC001574344166 960956151 /nfs/dbraw/zinc/95/61/51/960956151.db2.gz DWABYCSCPWGIQO-LKFCYVNXSA-N -1 0 337.466 3.525 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cc(C)n(Cc2ccco2)c1C ZINC001319852945 960961258 /nfs/dbraw/zinc/96/12/58/960961258.db2.gz KGKPULDMVNTOIY-UHFFFAOYSA-N -1 0 346.427 3.510 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001319852865 960962057 /nfs/dbraw/zinc/96/20/57/960962057.db2.gz ZMLFXMHADALEBU-RMHQSFGDSA-N -1 0 341.382 3.870 20 0 EHADRM Cc1ccc(-c2csc(NC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)n2)s1 ZINC001574347147 960968087 /nfs/dbraw/zinc/96/80/87/960968087.db2.gz BWLTZIPVDWHLSS-VHSXEESVSA-N -1 0 336.438 3.619 20 0 EHADRM Cc1ccc(NC(=O)CCOc2ccccc2Cl)cc1C(=O)[O-] ZINC000237608695 960972318 /nfs/dbraw/zinc/97/23/18/960972318.db2.gz JZSRKDOTBBWYSB-UHFFFAOYSA-N -1 0 333.771 3.754 20 0 EHADRM Cc1ccc(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c2c1CCC2 ZINC001574351457 960993471 /nfs/dbraw/zinc/99/34/71/960993471.db2.gz ZVUCAUMUYNREAS-RTBURBONSA-N -1 0 335.403 3.527 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)/C=C\c1ccnc2ccccc12 ZINC001321134328 960994224 /nfs/dbraw/zinc/99/42/24/960994224.db2.gz AHVRXAMRDWEQCE-CLFYSBASSA-N -1 0 332.359 3.893 20 0 EHADRM CC[C@H]1CCCC[C@H]1OCC(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC001573830222 961011288 /nfs/dbraw/zinc/01/12/88/961011288.db2.gz OFRNSGGQJWDYIS-KBXCAEBGSA-N -1 0 345.439 3.649 20 0 EHADRM CC[C@@H]1CCc2nc(NC(=O)Cc3ccccc3C(=O)[O-])sc2C1 ZINC001573830258 961011703 /nfs/dbraw/zinc/01/17/03/961011703.db2.gz OKWHVMUCDJXXSF-LLVKDONJSA-N -1 0 344.436 3.537 20 0 EHADRM COc1ccccc1C1(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)CCC1 ZINC001323093146 961016909 /nfs/dbraw/zinc/01/69/09/961016909.db2.gz RVMUGLJRKIYXME-UHFFFAOYSA-N -1 0 339.391 3.762 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)CSCc1cccs1)c1ccccc1 ZINC001323489127 961018514 /nfs/dbraw/zinc/01/85/14/961018514.db2.gz XXVAUDPWQBIIHS-WBMJQRKESA-N -1 0 349.477 3.560 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H](C)c2cccc(F)c2)cc1 ZINC001324011341 961021626 /nfs/dbraw/zinc/02/16/26/961021626.db2.gz MOLUJWPFWSUJAW-GUYCJALGSA-N -1 0 329.371 3.570 20 0 EHADRM Cc1cn(CC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c2ccccc12 ZINC000237786109 961024578 /nfs/dbraw/zinc/02/45/78/961024578.db2.gz JLEPHXNOWXCZLI-UHFFFAOYSA-N -1 0 342.782 3.940 20 0 EHADRM Cc1ccc2c(CC(=O)NCCCCCCC(=O)[O-])coc2c1C ZINC000237820901 961029423 /nfs/dbraw/zinc/02/94/23/961029423.db2.gz FJBZOJYWNDBNAF-UHFFFAOYSA-N -1 0 331.412 3.743 20 0 EHADRM Cc1ccc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)c(C)c1 ZINC000237844572 961034253 /nfs/dbraw/zinc/03/42/53/961034253.db2.gz UDQKSENGULWBMM-UHFFFAOYSA-N -1 0 325.408 3.811 20 0 EHADRM Cc1cc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c(Cl)cc1F ZINC000237857018 961035693 /nfs/dbraw/zinc/03/56/93/961035693.db2.gz PNJGSSIFRXWRQY-ONERCXAPSA-N -1 0 339.794 3.645 20 0 EHADRM Cc1ccc(CNC(=O)[C@@H](C(=O)[O-])C2CC2)c(O[C@@H](C)CC(C)C)c1 ZINC001574366453 961037311 /nfs/dbraw/zinc/03/73/11/961037311.db2.gz GOPZVLBGTDBXDP-KSSFIOAISA-N -1 0 347.455 3.535 20 0 EHADRM Cc1ccc(CNC(=O)[C@H](C(=O)[O-])C2CC2)c(Oc2ccccc2)c1 ZINC001574366409 961038192 /nfs/dbraw/zinc/03/81/92/961038192.db2.gz CHMBQACDUKUNLL-GOSISDBHSA-N -1 0 339.391 3.514 20 0 EHADRM Cc1ccc(CNC(=O)[C@H](C(=O)[O-])C2CC2)c(OCCCC(C)C)c1 ZINC001574366429 961038218 /nfs/dbraw/zinc/03/82/18/961038218.db2.gz FHIPMAFUXPNIMD-GOSISDBHSA-N -1 0 347.455 3.537 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)c3cccnc3Cl)ccc2s1 ZINC000237943974 961049202 /nfs/dbraw/zinc/04/92/02/961049202.db2.gz VTTWGSPMDQJSMF-UHFFFAOYSA-N -1 0 332.768 3.900 20 0 EHADRM O=C([O-])c1ccc(CN2CC(Cc3c(F)cccc3Cl)C2)cc1 ZINC001326077793 961070305 /nfs/dbraw/zinc/07/03/05/961070305.db2.gz YZLYYJFADPUFKU-UHFFFAOYSA-N -1 0 333.790 3.852 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000238016747 961076839 /nfs/dbraw/zinc/07/68/39/961076839.db2.gz PKMJHWWAQLVQBU-UHFFFAOYSA-N -1 0 349.321 3.806 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)s1 ZINC000238056778 961089562 /nfs/dbraw/zinc/08/95/62/961089562.db2.gz MGZSSOZRBZQZQJ-UHFFFAOYSA-N -1 0 333.262 3.857 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)Cc2cc(Cl)ccc2Cl)cc1 ZINC000238091888 961095650 /nfs/dbraw/zinc/09/56/50/961095650.db2.gz DFRVFRHAMPWCMT-UHFFFAOYSA-N -1 0 338.190 3.551 20 0 EHADRM Cc1ccc(Oc2ccccc2CNC(=O)[C@H](C(=O)[O-])C2CC2)cc1 ZINC001574377897 961095824 /nfs/dbraw/zinc/09/58/24/961095824.db2.gz BVFIDMBGDIEZKG-GOSISDBHSA-N -1 0 339.391 3.514 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2cncc(C(=O)[O-])c2)c(Cl)c1 ZINC001574377901 961096321 /nfs/dbraw/zinc/09/63/21/961096321.db2.gz CCJOZEAAHJJTFP-UHFFFAOYSA-N -1 0 348.786 3.539 20 0 EHADRM CC(C)(C)Oc1ccc(CCNC(=O)C2(C(=O)[O-])CCCCC2)cc1 ZINC001588734213 961115314 /nfs/dbraw/zinc/11/53/14/961115314.db2.gz BFMNVQRFOVOLNR-UHFFFAOYSA-N -1 0 347.455 3.558 20 0 EHADRM Cc1cccc([C@@H](NC(=O)CSc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC001574389356 961156552 /nfs/dbraw/zinc/15/65/52/961156552.db2.gz NOMGMCSZAXPGCK-MRXNPFEDSA-N -1 0 349.839 3.683 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC001573862400 961178301 /nfs/dbraw/zinc/17/83/01/961178301.db2.gz QTIWSQIPCLENPC-MRXNPFEDSA-N -1 0 325.792 3.568 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2cccc(C(=O)[O-])c2)c2ccccn2)c1 ZINC001574391016 961180784 /nfs/dbraw/zinc/18/07/84/961180784.db2.gz HWQNBWKGKTYKQS-IBGZPJMESA-N -1 0 346.386 3.608 20 0 EHADRM C[C@@H](NC(=O)NCCCCCC(=O)[O-])c1ccc2c(c1)CCCC2 ZINC000243895494 961183766 /nfs/dbraw/zinc/18/37/66/961183766.db2.gz RRKCWATUIAHLMX-CQSZACIVSA-N -1 0 332.444 3.571 20 0 EHADRM Cc1cccc([C@H](NC(=O)Nc2nsc3ccccc32)C(=O)[O-])c1 ZINC001574392322 961190401 /nfs/dbraw/zinc/19/04/01/961190401.db2.gz RPRDCGRUDMAVIR-AWEZNQCLSA-N -1 0 341.392 3.552 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000250675362 961224405 /nfs/dbraw/zinc/22/44/05/961224405.db2.gz ANNMSCKRSLNIJU-FZQKWOKYSA-N -1 0 342.222 3.851 20 0 EHADRM O=C([O-])c1ccc(CN2CCO[C@@H](c3ccc(Cl)s3)C2)s1 ZINC001328742877 961225124 /nfs/dbraw/zinc/22/51/24/961225124.db2.gz FTARIAKNQMCIEE-SNVBAGLBSA-N -1 0 343.857 3.735 20 0 EHADRM Cc1ccccc1C1(C(=O)NC[C@H](C(=O)[O-])C(C)C)CCCCC1 ZINC001574401442 961231611 /nfs/dbraw/zinc/23/16/11/961231611.db2.gz HJCQVUOPGALBHD-INIZCTEOSA-N -1 0 331.456 3.670 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001573881799 961283928 /nfs/dbraw/zinc/28/39/28/961283928.db2.gz ZGBDRSMQRKWZCT-CYBMUJFWSA-N -1 0 329.849 3.641 20 0 EHADRM CCC[C@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1)c1ccccn1 ZINC001330256264 961339815 /nfs/dbraw/zinc/33/98/15/961339815.db2.gz ZUOOJEXSJMVSRE-FUHWJXTLSA-N -1 0 340.423 3.606 20 0 EHADRM CCC[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1)c1ccccn1 ZINC001330256268 961340366 /nfs/dbraw/zinc/34/03/66/961340366.db2.gz ZUOOJEXSJMVSRE-WMZOPIPTSA-N -1 0 340.423 3.606 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N(C)C(C)(C)CC(=O)[O-] ZINC001331337465 961373162 /nfs/dbraw/zinc/37/31/62/961373162.db2.gz HYKHFBLCJLEDRR-UHFFFAOYSA-N -1 0 335.425 3.621 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)CSCc2cccs2)c1 ZINC001331897604 961405815 /nfs/dbraw/zinc/40/58/15/961405815.db2.gz XREOKCSLDRYSEC-HNNXBMFYSA-N -1 0 349.477 3.622 20 0 EHADRM O=C([O-])c1ccoc1CSc1ccccc1C(=O)NCC1CCC1 ZINC000262043895 961413781 /nfs/dbraw/zinc/41/37/81/961413781.db2.gz ARQXRYYFJADNHA-UHFFFAOYSA-N -1 0 345.420 3.800 20 0 EHADRM CC(C)C(=O)c1ccc(NC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)cc1 ZINC001588801507 961424906 /nfs/dbraw/zinc/42/49/06/961424906.db2.gz DSLNICQAMRVAHL-UHFFFAOYSA-N -1 0 331.412 3.601 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001588812757 961532376 /nfs/dbraw/zinc/53/23/76/961532376.db2.gz PLSZBZDOZAAQLK-LJQANCHMSA-N -1 0 326.396 3.623 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)Cc2ccccc2C(=O)[O-])c1C ZINC000262193720 961539468 /nfs/dbraw/zinc/53/94/68/961539468.db2.gz RHXVQKBRNMMDPU-IBGZPJMESA-N -1 0 337.419 3.908 20 0 EHADRM CCC[C@@H](Cc1ccccc1)NC(=O)CCc1ccccc1C(=O)[O-] ZINC000262220203 961564778 /nfs/dbraw/zinc/56/47/78/961564778.db2.gz QXKKQJQDRWTUHQ-SFHVURJKSA-N -1 0 339.435 3.845 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CCCC[C@@H]1Cc1ccccc1 ZINC000262228525 961572595 /nfs/dbraw/zinc/57/25/95/961572595.db2.gz WLOPYJIQHRYANU-GOSISDBHSA-N -1 0 337.419 3.551 20 0 EHADRM CC[C@@H](NC(=O)[C@@H]1CCCC[C@H]1c1nc2ccccc2s1)C(=O)[O-] ZINC001573931255 961574100 /nfs/dbraw/zinc/57/41/00/961574100.db2.gz QNIJBHOLXZPALC-JHJVBQTASA-N -1 0 346.452 3.550 20 0 EHADRM CC(C)[C@H](CNC(=O)C(F)(F)c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001588816641 961589521 /nfs/dbraw/zinc/58/95/21/961589521.db2.gz JRLVFHRMESGGDR-AWEZNQCLSA-N -1 0 341.398 3.549 20 0 EHADRM O=C([O-])c1cccc(CC(=O)Nc2ccccc2OC2CCCC2)c1 ZINC000262249285 961591240 /nfs/dbraw/zinc/59/12/40/961591240.db2.gz ZDDUPWIURWDPJQ-UHFFFAOYSA-N -1 0 339.391 3.887 20 0 EHADRM Cc1ccc(CCCC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)s1 ZINC000262255537 961597218 /nfs/dbraw/zinc/59/72/18/961597218.db2.gz VZQZODPAXBJEDE-UHFFFAOYSA-N -1 0 343.448 3.662 20 0 EHADRM CC[C@@H](NC(=O)c1coc(/C=C/C(=O)[O-])c1)c1ccc(C)c(F)c1 ZINC001573936447 961597869 /nfs/dbraw/zinc/59/78/69/961597869.db2.gz ZMQYMCUAOGVLIC-FYCOFBDGSA-N -1 0 331.343 3.706 20 0 EHADRM CC[C@@H]1c2ccsc2CCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000262276606 961612786 /nfs/dbraw/zinc/61/27/86/961612786.db2.gz YYQFBMKBQALPHG-MRXNPFEDSA-N -1 0 343.448 3.915 20 0 EHADRM Cc1cc(C(=O)N2CCC(CC(=O)[O-])CC2)c(C)n1C1CCCCC1 ZINC000262301475 961632021 /nfs/dbraw/zinc/63/20/21/961632021.db2.gz KUGHHXXOFPGENX-UHFFFAOYSA-N -1 0 346.471 3.937 20 0 EHADRM C[C@H](CC(=O)Nc1cccc(CCC(=O)[O-])c1)c1cccc(F)c1 ZINC000262327575 961647251 /nfs/dbraw/zinc/64/72/51/961647251.db2.gz AHUHRIQCFMEEDR-CYBMUJFWSA-N -1 0 329.371 3.975 20 0 EHADRM CCc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC001573956635 961673406 /nfs/dbraw/zinc/67/34/06/961673406.db2.gz JMDMLRPYEGLRAQ-ZBFHGGJFSA-N -1 0 332.444 3.596 20 0 EHADRM CC[C@](C)(NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000262372709 961675608 /nfs/dbraw/zinc/67/56/08/961675608.db2.gz BCGSCPCMEUNKLX-BMIGLBTASA-N -1 0 331.334 3.569 20 0 EHADRM COc1ccc([C@H]2CCCN2C(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000262374843 961678805 /nfs/dbraw/zinc/67/88/05/961678805.db2.gz KNBGMGFSRWOJNX-QGZVFWFLSA-N -1 0 343.354 3.510 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@@H](C)Cc1ccccc1F ZINC000262480367 961744294 /nfs/dbraw/zinc/74/42/94/961744294.db2.gz HULKXUSALGWIML-ZDUSSCGKSA-N -1 0 329.371 3.958 20 0 EHADRM Cc1nc(CC(C)C)c(C(=O)Nc2cccc(CCC(=O)[O-])c2)s1 ZINC000262489205 961749294 /nfs/dbraw/zinc/74/92/94/961749294.db2.gz IZJVNTUCJXWTLI-UHFFFAOYSA-N -1 0 346.452 3.920 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)cc1C(=O)[O-] ZINC000262547005 961768677 /nfs/dbraw/zinc/76/86/77/961768677.db2.gz WFDQWRGTAQLMSO-DGCLKSJQSA-N -1 0 347.333 3.613 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1C(=O)[O-] ZINC000262547007 961768694 /nfs/dbraw/zinc/76/86/94/961768694.db2.gz WFDQWRGTAQLMSO-YPMHNXCESA-N -1 0 347.333 3.613 20 0 EHADRM CC(C)C1CCC(CNC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)CC1 ZINC001588841035 961799397 /nfs/dbraw/zinc/79/93/97/961799397.db2.gz HMDPGVYGHPRCLS-CGZBRXJRSA-N -1 0 338.492 3.735 20 0 EHADRM Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC000262671831 961800101 /nfs/dbraw/zinc/80/01/01/961800101.db2.gz RKLFPJSKOLBGRP-XHSDSOJGSA-N -1 0 343.448 3.567 20 0 EHADRM O=C(/C=C/c1ccc(C(=O)[O-])o1)NCc1csc2ccccc12 ZINC001574513135 961819902 /nfs/dbraw/zinc/81/99/02/961819902.db2.gz FUEAFVYKLRULSS-SOFGYWHQSA-N -1 0 327.361 3.522 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N[C@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000262718411 961825451 /nfs/dbraw/zinc/82/54/51/961825451.db2.gz ONJKPYPEWRYRJV-XSLAGTTESA-N -1 0 329.440 3.720 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)Nc2cncc(C(=O)[O-])c2)c2ccccc21 ZINC001588843047 961834754 /nfs/dbraw/zinc/83/47/54/961834754.db2.gz XSGYEDDHXMEZJC-HNNXBMFYSA-N -1 0 325.368 3.572 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000262795000 961868871 /nfs/dbraw/zinc/86/88/71/961868871.db2.gz CCIAFFODMLBIIC-MJGOQNOKSA-N -1 0 337.419 3.578 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCc2ccc(-c3ccccc3)o2)ccn1 ZINC001574525803 961881000 /nfs/dbraw/zinc/88/10/00/961881000.db2.gz OCCWDGBEBCFMDQ-UHFFFAOYSA-N -1 0 336.347 3.611 20 0 EHADRM CN(CCC(=O)[O-])C(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC001574007422 961900398 /nfs/dbraw/zinc/90/03/98/961900398.db2.gz GYVWRDPXKXWONJ-KRWDZBQOSA-N -1 0 346.814 3.546 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)[C@H]2CC[C@H](C(C)C)CC2)c1OC ZINC000262837812 961904228 /nfs/dbraw/zinc/90/42/28/961904228.db2.gz YWXDVGIGBOPSHJ-JOCQHMNTSA-N -1 0 349.427 3.803 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N1CCC[C@@H](C2CCCCC2)C1)C(=O)[O-] ZINC001588850473 961920636 /nfs/dbraw/zinc/92/06/36/961920636.db2.gz MVHZDKCJTKCGAI-SJORKVTESA-N -1 0 338.492 3.735 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1ccnn1C1CCCC1 ZINC000262876412 961949764 /nfs/dbraw/zinc/94/97/64/961949764.db2.gz XFKXHQWKZNJUTN-UHFFFAOYSA-N -1 0 327.384 3.566 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)Nc2cccc(Oc3ccccn3)c2)CC1 ZINC000262886470 961961926 /nfs/dbraw/zinc/96/19/26/961961926.db2.gz GFBLEVWPBQONMB-HDJSIYSDSA-N -1 0 340.379 3.703 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)[C@H](C(=O)[O-])C1 ZINC000262896237 961970422 /nfs/dbraw/zinc/97/04/22/961970422.db2.gz DHWOLQXYKKCQHL-UFBFGSQYSA-N -1 0 349.736 3.684 20 0 EHADRM C[C@H]1CN(C(=O)CSc2ccc3ccccc3c2)CC[C@H]1C(=O)[O-] ZINC000262906202 961984771 /nfs/dbraw/zinc/98/47/71/961984771.db2.gz IKKMIMMMFBNQTR-SUMWQHHRSA-N -1 0 343.448 3.501 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)C2CCc3ccccc3CC2)c2ccccc21 ZINC001574556770 961990442 /nfs/dbraw/zinc/99/04/42/961990442.db2.gz DQOYINDSTYPCQC-PMACEKPBSA-N -1 0 349.430 3.611 20 0 EHADRM Cc1oc(-c2ccccc2)c(C(=O)N2CCC[C@](C)(C(=O)[O-])C2)c1C ZINC000262922050 962004417 /nfs/dbraw/zinc/00/44/17/962004417.db2.gz FQCIPEMPPQZYHW-FQEVSTJZSA-N -1 0 341.407 3.890 20 0 EHADRM C[C@H](CCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])c1ccccc1 ZINC000262941894 962028316 /nfs/dbraw/zinc/02/83/16/962028316.db2.gz CJCALUGEDQOFLM-BEFAXECRSA-N -1 0 337.419 3.608 20 0 EHADRM Cc1cccc(OCCCCC(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])c1 ZINC000262944201 962029398 /nfs/dbraw/zinc/02/93/98/962029398.db2.gz LUSBVQZPPKJNCF-PXNSSMCTSA-N -1 0 347.455 3.694 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000262953236 962037612 /nfs/dbraw/zinc/03/76/12/962037612.db2.gz PCOIAICDAACKDU-KYZUINATSA-N -1 0 333.281 3.674 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C[C@H](C)c1ccc(F)cc1 ZINC000262974180 962061991 /nfs/dbraw/zinc/06/19/91/962061991.db2.gz MBGGMZPLFMHWSC-LBPRGKRZSA-N -1 0 345.370 3.730 20 0 EHADRM CCc1ccc([C@@H](NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C(C)C)cc1 ZINC000262977679 962066510 /nfs/dbraw/zinc/06/65/10/962066510.db2.gz SVVXABSDCRJQHN-BZSNNMDCSA-N -1 0 331.456 3.953 20 0 EHADRM CCC[C@H](C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000262979967 962070832 /nfs/dbraw/zinc/07/08/32/962070832.db2.gz UFEYBPGOWIJZGZ-ROUUACIJSA-N -1 0 343.398 3.694 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1cc2ccccc2o1 ZINC001339864811 962082470 /nfs/dbraw/zinc/08/24/70/962082470.db2.gz UWAHGRMYTQRKJS-KBPBESRZSA-N -1 0 344.411 3.780 20 0 EHADRM CC(C)CN(C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)C1CCCC1 ZINC001588872138 962092105 /nfs/dbraw/zinc/09/21/05/962092105.db2.gz FQUSTCQGFDCMBM-FQEVSTJZSA-N -1 0 346.471 3.639 20 0 EHADRM CC(C)COC[C@H](NC(=O)Nc1ccccc1C(=O)[O-])c1ccco1 ZINC001588875745 962119254 /nfs/dbraw/zinc/11/92/54/962119254.db2.gz SNPBBAIVQTZTHE-HNNXBMFYSA-N -1 0 346.383 3.513 20 0 EHADRM CC(C)COc1ccc(C(C)(C)NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001588877684 962134472 /nfs/dbraw/zinc/13/44/72/962134472.db2.gz NOTZHTSKMRYVID-LSDHHAIUSA-N -1 0 347.455 3.574 20 0 EHADRM Cc1ccccc1[C@H]1C[C@H](NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)C1 ZINC001343042011 962157245 /nfs/dbraw/zinc/15/72/45/962157245.db2.gz VRXZSOFLJUQLPU-ULQDDVLXSA-N -1 0 344.455 3.527 20 0 EHADRM CC(C)C[C@@H](NC(=O)Nc1ccc(C(=O)C(C)(C)C)cc1)C(=O)[O-] ZINC001588883071 962162367 /nfs/dbraw/zinc/16/23/67/962162367.db2.gz JOECBVLETYRUBO-CQSZACIVSA-N -1 0 334.416 3.536 20 0 EHADRM CC(C)C[C@@H](NC(=O)Nc1ccccc1N1CCCCCC1)C(=O)[O-] ZINC001588884146 962164336 /nfs/dbraw/zinc/16/43/36/962164336.db2.gz AYKTTYGBWIJMBP-MRXNPFEDSA-N -1 0 347.459 3.688 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@H]1CCc2c1cccc2Cl)CC(=O)[O-] ZINC001588887931 962193325 /nfs/dbraw/zinc/19/33/25/962193325.db2.gz FTQDBSFCIRAKHJ-WFASDCNBSA-N -1 0 337.847 3.623 20 0 EHADRM CC(C)C[C@H](CNC(=O)NC[C@H]1CCCCC(F)(F)C1)CC(=O)[O-] ZINC001588892373 962205968 /nfs/dbraw/zinc/20/59/68/962205968.db2.gz DSNFUCJHHVPOPQ-KBPBESRZSA-N -1 0 348.434 3.638 20 0 EHADRM O=C([O-])c1c(NC(=O)c2cccc(C3CC3)c2)sc2c1CCOC2 ZINC001574614339 962209208 /nfs/dbraw/zinc/20/92/08/962209208.db2.gz PGPPQIGSPKWSHH-UHFFFAOYSA-N -1 0 343.404 3.649 20 0 EHADRM CC(C)C[C@H](CNC(=O)N[C@H]1CCC(C)(C)C[C@H]1C)CC(=O)[O-] ZINC001588892755 962211945 /nfs/dbraw/zinc/21/19/45/962211945.db2.gz DMPCXZJKOGSYBA-ILXRZTDVSA-N -1 0 326.481 3.637 20 0 EHADRM Cn1c(C(=O)[O-])ccc1[C@H]1CCCCN1C(=O)C1CCCCCC1 ZINC001344593498 962216338 /nfs/dbraw/zinc/21/63/38/962216338.db2.gz XSDFCJBBWHAQMI-MRXNPFEDSA-N -1 0 332.444 3.747 20 0 EHADRM CC(C)C[C@H](CNC(=O)N[C@H](C)[C@@H](C)c1ccccc1)CC(=O)[O-] ZINC001588893101 962216545 /nfs/dbraw/zinc/21/65/45/962216545.db2.gz UAGFYJITCQVUQP-OAGGEKHMSA-N -1 0 334.460 3.615 20 0 EHADRM Cc1cc(C)c2c(c1)CCN(C(=O)CCc1ccc(C(=O)[O-])cc1)C2 ZINC001344605305 962217060 /nfs/dbraw/zinc/21/70/60/962217060.db2.gz WRCKIIDDXDGXIT-UHFFFAOYSA-N -1 0 337.419 3.519 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)c2cc3c(ccc4ccccc34)[nH]2)C1 ZINC000263086991 962235386 /nfs/dbraw/zinc/23/53/86/962235386.db2.gz VEHPKZQHKQNYRU-FQEVSTJZSA-N -1 0 336.391 3.648 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@@H](c1ccccc1)C1CC1 ZINC000263122072 962275895 /nfs/dbraw/zinc/27/58/95/962275895.db2.gz KQZHWSFFMLPFEO-IBGZPJMESA-N -1 0 339.391 3.591 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1ccccc1CCC(F)(F)F ZINC000263137222 962289314 /nfs/dbraw/zinc/28/93/14/962289314.db2.gz MFSLJRZJHAGOQU-UHFFFAOYSA-N -1 0 331.334 3.556 20 0 EHADRM Cc1cccc(C)c1OCC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000263165692 962317512 /nfs/dbraw/zinc/31/75/12/962317512.db2.gz FGZKHTCRKZMBBQ-AWEZNQCLSA-N -1 0 327.380 3.509 20 0 EHADRM CC(C)c1ccoc1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000263170562 962324058 /nfs/dbraw/zinc/32/40/58/962324058.db2.gz PYWNFRQLMRWVFJ-UHFFFAOYSA-N -1 0 333.409 3.973 20 0 EHADRM CCO[C@@H](C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1)c1ccccc1 ZINC000263198458 962352751 /nfs/dbraw/zinc/35/27/51/962352751.db2.gz JNZDQTQTAYBWIY-CXAGYDPISA-N -1 0 327.380 3.591 20 0 EHADRM CC[C@@H](C(=O)Nc1ccc(CC(=O)[O-])c(F)c1)c1ccc(OC)cc1 ZINC000263211933 962368707 /nfs/dbraw/zinc/36/87/07/962368707.db2.gz NNORVBBBRVIBPB-MRXNPFEDSA-N -1 0 345.370 3.594 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1nc2ccccc2n1C1CCCC1 ZINC000263267679 962407537 /nfs/dbraw/zinc/40/75/37/962407537.db2.gz HTLJWPJHLURPLC-UHFFFAOYSA-N -1 0 329.400 3.735 20 0 EHADRM CCc1c(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)cnn1C(C)(C)C ZINC000263294392 962435339 /nfs/dbraw/zinc/43/53/39/962435339.db2.gz MSTFBEDJSWLZKW-GFCCVEGCSA-N -1 0 343.427 3.641 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)Cc2ccc3c(c2)CCCC3)c1 ZINC000263321188 962462926 /nfs/dbraw/zinc/46/29/26/962462926.db2.gz NPZRBWXBTKJSAZ-CQSZACIVSA-N -1 0 337.419 3.935 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)Cc2ccc3c(c2)CCCC3)c1 ZINC000263321185 962463564 /nfs/dbraw/zinc/46/35/64/962463564.db2.gz NPZRBWXBTKJSAZ-AWEZNQCLSA-N -1 0 337.419 3.935 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)C(C)(C)c2ccc(F)cc2)c1 ZINC000263333354 962481391 /nfs/dbraw/zinc/48/13/91/962481391.db2.gz QIRJFCSUTISASG-GFCCVEGCSA-N -1 0 329.371 3.930 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H](C)CC(F)(F)F)cc1 ZINC001349933038 962497281 /nfs/dbraw/zinc/49/72/81/962497281.db2.gz YHHUEPLYAGRUMU-BXKDBHETSA-N -1 0 349.374 3.629 20 0 EHADRM CC[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000263348589 962501631 /nfs/dbraw/zinc/50/16/31/962501631.db2.gz OTGCVOXXCWBJJE-OAHLLOKOSA-N -1 0 325.408 3.755 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)NCCc2cccc3ccccc32)co1 ZINC001574666268 962512604 /nfs/dbraw/zinc/51/26/04/962512604.db2.gz TVNZHVRYCXXZEX-HJWRWDBZSA-N -1 0 335.359 3.503 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2CCCc2ccccc2)C1 ZINC000263363208 962519612 /nfs/dbraw/zinc/51/96/12/962519612.db2.gz YYHXBUFXZAINRZ-KSZLIROESA-N -1 0 329.440 3.501 20 0 EHADRM CC(C)Oc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001588940326 962521566 /nfs/dbraw/zinc/52/15/66/962521566.db2.gz CVCUTTCVFZVFTA-INIZCTEOSA-N -1 0 346.358 3.560 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)OCc2ccc(OCC3CC3)cc2)co1 ZINC001574667955 962528472 /nfs/dbraw/zinc/52/84/72/962528472.db2.gz RZRANCIJYJPZJH-BQYQJAHWSA-N -1 0 342.347 3.523 20 0 EHADRM O=C([O-])CC[C@@H](CC1CCCCC1)NC(=O)CC[C@H]1CCCCO1 ZINC000263377634 962535134 /nfs/dbraw/zinc/53/51/34/962535134.db2.gz BTHUXZCKIZQEFV-DLBZAZTESA-N -1 0 339.476 3.656 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1ccc(C(F)F)c(F)c1 ZINC001574668800 962539217 /nfs/dbraw/zinc/53/92/17/962539217.db2.gz KJINKWWWALOZPI-OAHLLOKOSA-N -1 0 349.308 3.588 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)CC[C@@H]1CCc2ccccc21 ZINC001574668840 962539792 /nfs/dbraw/zinc/53/97/92/962539792.db2.gz LYGFDBQKUXFSAB-UWJYYQICSA-N -1 0 349.430 3.707 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)Nc1ccc(C)c(C(F)(F)F)c1 ZINC000263411856 962578032 /nfs/dbraw/zinc/57/80/32/962578032.db2.gz JCENVSAGKBZVGH-UHFFFAOYSA-N -1 0 341.285 3.795 20 0 EHADRM CC[C@@H](NC(=O)c1c(C)coc1CC(=O)[O-])C(C)(C)c1ccccc1 ZINC000263445903 962628928 /nfs/dbraw/zinc/62/89/28/962628928.db2.gz QZECGLREOXTODK-MRXNPFEDSA-N -1 0 343.423 3.701 20 0 EHADRM CC(C)[C@H](Nc1nc2c(cccc2Br)s1)C(=O)[O-] ZINC001588963264 962636234 /nfs/dbraw/zinc/63/62/34/962636234.db2.gz MLHVGWVKSUYGDN-VIFPVBQESA-N -1 0 329.219 3.580 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CCC[C@@H]1c1ccccc1C ZINC000263455849 962644070 /nfs/dbraw/zinc/64/40/70/962644070.db2.gz UOCOAUXSOHFHCJ-OAHLLOKOSA-N -1 0 327.380 3.501 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000263457602 962646098 /nfs/dbraw/zinc/64/60/98/962646098.db2.gz UYBCWABAQKCFTL-HOTGVXAUSA-N -1 0 341.407 3.671 20 0 EHADRM O=C([O-])C1CCC(NC(=O)N2CCC[C@@H]2/C=C/c2ccccc2)CC1 ZINC000263476797 962662471 /nfs/dbraw/zinc/66/24/71/962662471.db2.gz MVRXPLUFEBQCTJ-CZQOEGHASA-N -1 0 342.439 3.517 20 0 EHADRM CCc1ccccc1NC(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263487908 962674136 /nfs/dbraw/zinc/67/41/36/962674136.db2.gz NNMQHVDRVQDORN-QGZVFWFLSA-N -1 0 340.423 3.847 20 0 EHADRM CC(C)c1cccc2c1N(C(=O)COCC(=O)[O-])C(C)(C)C[C@@H]2C ZINC001588973382 962674566 /nfs/dbraw/zinc/67/45/66/962674566.db2.gz SDFCNWDGLXSWHW-ZDUSSCGKSA-N -1 0 333.428 3.530 20 0 EHADRM C[C@@H](C(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-])c1ccc(Cl)s1 ZINC000263500059 962683141 /nfs/dbraw/zinc/68/31/41/962683141.db2.gz YSZDPCYDROQDJA-MXWKQRLJSA-N -1 0 329.849 3.655 20 0 EHADRM CCOc1ccccc1[C@H](CC)NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000263521998 962704116 /nfs/dbraw/zinc/70/41/16/962704116.db2.gz HQMXIYGOMSUVHN-KRWDZBQOSA-N -1 0 341.407 3.594 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)s1 ZINC000263532839 962715419 /nfs/dbraw/zinc/71/54/19/962715419.db2.gz NFRQKLLTCIBUCZ-AAEUAGOBSA-N -1 0 333.384 3.652 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000263542031 962719904 /nfs/dbraw/zinc/71/99/04/962719904.db2.gz RJZWVUBFZGGIFK-ZDUSSCGKSA-N -1 0 345.826 3.576 20 0 EHADRM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)C[C@@H]1CCCCC1(C)C ZINC000263553932 962725476 /nfs/dbraw/zinc/72/54/76/962725476.db2.gz XWRSQLZLIQOTKH-INIZCTEOSA-N -1 0 347.455 3.715 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)C2(Cc3ccccc3Cl)CC2)C1 ZINC000263554811 962725821 /nfs/dbraw/zinc/72/58/21/962725821.db2.gz YHPMCZHUTGALSZ-AWEZNQCLSA-N -1 0 349.858 3.766 20 0 EHADRM O=C([O-])c1cc(C(=O)N2CCCC[C@H]2c2cccc(Cl)c2)ccn1 ZINC000263573288 962740187 /nfs/dbraw/zinc/74/01/87/962740187.db2.gz MDYFWSSHKRDFBE-INIZCTEOSA-N -1 0 344.798 3.801 20 0 EHADRM CC(C)n1cc2cc(NC(=O)/C=C/c3ccc(C(=O)[O-])o3)ccc2n1 ZINC001588982450 962739964 /nfs/dbraw/zinc/73/99/64/962739964.db2.gz DLFKCURDJRURDV-VMPITWQZSA-N -1 0 339.351 3.560 20 0 EHADRM CC(C)(C(=O)Nc1cccc(CSCC(=O)[O-])c1)C(F)(F)F ZINC001520160929 962815319 /nfs/dbraw/zinc/81/53/19/962815319.db2.gz NWHNJFKTIZYFDW-UHFFFAOYSA-N -1 0 335.347 3.531 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001574201633 962886990 /nfs/dbraw/zinc/88/69/90/962886990.db2.gz BIQSCIMHMPFJLR-BBRMVZONSA-N -1 0 335.444 3.585 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N[C@H]1CCCC(C)(C)C1)C(=O)[O-] ZINC001526774149 962910337 /nfs/dbraw/zinc/91/03/37/962910337.db2.gz GSBUKHMAZBDMAP-STQMWFEESA-N -1 0 335.469 3.950 20 0 EHADRM CCC1(C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccc(Cl)cc3)C2)CCC1 ZINC001548840851 962923222 /nfs/dbraw/zinc/92/32/22/962923222.db2.gz ZPXZZVLSFVLPMM-CABCVRRESA-N -1 0 335.831 3.547 20 0 EHADRM C=C/C=C\CCNC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001573350153 962966038 /nfs/dbraw/zinc/96/60/38/962966038.db2.gz DEXDAXILGGQYQE-ARJAWSKDSA-N -1 0 343.427 3.629 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N3CC[C@@]4(C(=O)[O-])CCC[C@@H]34)[nH]c2c1 ZINC001549907607 962974984 /nfs/dbraw/zinc/97/49/84/962974984.db2.gz AHCHWBFWWULQON-XLIONFOSSA-N -1 0 340.423 3.761 20 0 EHADRM Cc1cc2scc(CC(=O)N3CC[C@@]4(C(=O)[O-])CCC[C@@H]34)c2s1 ZINC001550383784 963006532 /nfs/dbraw/zinc/00/65/32/963006532.db2.gz OEBAPOJUFZUDSW-DYVFJYSZSA-N -1 0 349.477 3.670 20 0 EHADRM Cc1cc(C#N)cc(NCc2ccc(C(=O)[O-])cc2Br)c1 ZINC000308094826 963257465 /nfs/dbraw/zinc/25/74/65/963257465.db2.gz SYLZZVONKIPKQA-UHFFFAOYSA-N -1 0 345.196 3.940 20 0 EHADRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)CCC(C)C ZINC000311914715 963522947 /nfs/dbraw/zinc/52/29/47/963522947.db2.gz CSAUSIHSANCZCG-UHFFFAOYSA-N -1 0 328.206 3.830 20 0 EHADRM CCc1ccc(NC(=O)c2ccc(Br)o2)c(C(=O)[O-])c1 ZINC000312922122 963605370 /nfs/dbraw/zinc/60/53/70/963605370.db2.gz CQTNOKLRCIUKGR-UHFFFAOYSA-N -1 0 338.157 3.555 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)N[C@@H]2CCCC23CCCCC3)c1 ZINC000313007481 963611756 /nfs/dbraw/zinc/61/17/56/963611756.db2.gz JYUBOAHBKHZDAC-MRXNPFEDSA-N -1 0 346.427 3.775 20 0 EHADRM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1sccc1C(=O)[O-] ZINC000314214032 963725899 /nfs/dbraw/zinc/72/58/99/963725899.db2.gz LDRPQHNDSPQBFQ-VIFPVBQESA-N -1 0 339.800 3.814 20 0 EHADRM O=C([O-])c1ccnc(Oc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-] ZINC000314569126 963770385 /nfs/dbraw/zinc/77/03/85/963770385.db2.gz FSGWTXXYKBSSCQ-UHFFFAOYSA-N -1 0 329.095 3.787 20 0 EHADRM C[C@@H](Nc1ccc(N2CCCC2)c(F)c1)c1ncc(C(=O)[O-])s1 ZINC000314911993 963828125 /nfs/dbraw/zinc/82/81/25/963828125.db2.gz GOWYVZLZXVOFFM-SNVBAGLBSA-N -1 0 335.404 3.754 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC000315297441 963876526 /nfs/dbraw/zinc/87/65/26/963876526.db2.gz IJESFHXFLNBYHQ-VIFPVBQESA-N -1 0 336.800 3.553 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1cc2sccc2s1 ZINC000316260618 963996293 /nfs/dbraw/zinc/99/62/93/963996293.db2.gz SKUHLOYQTDATRN-UHFFFAOYSA-N -1 0 329.402 3.864 20 0 EHADRM CC(C)Oc1ccc([C@@H](C)NC(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000236736997 967779100 /nfs/dbraw/zinc/77/91/00/967779100.db2.gz FWTSTVITMJDZDM-CYBMUJFWSA-N -1 0 327.380 3.663 20 0 EHADRM CC(C)c1ccc(-c2nc(C(=O)NCCCC(=O)[O-])cs2)cc1 ZINC000236786112 967780986 /nfs/dbraw/zinc/78/09/86/967780986.db2.gz BGTRYPVCOBCGJT-UHFFFAOYSA-N -1 0 332.425 3.528 20 0 EHADRM Cc1ccc(NC(=O)N(C)C[C@@H](C)C(=O)[O-])cc1OCCC(C)C ZINC000263026952 967837917 /nfs/dbraw/zinc/83/79/17/967837917.db2.gz JYTOBIMYFKZXBB-CQSZACIVSA-N -1 0 336.432 3.604 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000263154779 967855012 /nfs/dbraw/zinc/85/50/12/967855012.db2.gz OBIVBEXJWLTXRU-HOCLYGCPSA-N -1 0 333.428 3.723 20 0 EHADRM CC(C)CN(C(=O)NCCC(=O)[O-])[C@H](C)c1ccccc1Cl ZINC000263434504 967892271 /nfs/dbraw/zinc/89/22/71/967892271.db2.gz ZOAPSFMYFSBVHB-GFCCVEGCSA-N -1 0 326.824 3.543 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@H](C)c2ccc(Cl)cc2)C1 ZINC000320455116 968006292 /nfs/dbraw/zinc/00/62/92/968006292.db2.gz NTWHHLUBKBGKPH-SJKOYZFVSA-N -1 0 338.835 3.687 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)NC1(C(=O)[O-])CCCC1 ZINC000320854407 968009641 /nfs/dbraw/zinc/00/96/41/968009641.db2.gz DIAFHIVQSDZDHL-UHFFFAOYSA-N -1 0 330.306 3.533 20 0 EHADRM C[C@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1Cl ZINC000321570937 968015078 /nfs/dbraw/zinc/01/50/78/968015078.db2.gz NUIMMQIMJOVXLF-NSHDSACASA-N -1 0 332.787 3.599 20 0 EHADRM Cc1c(C(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])sc2cccc(F)c12 ZINC000324434594 968032034 /nfs/dbraw/zinc/03/20/34/968032034.db2.gz VPVISZOBXDJPLV-XPTSAGLGSA-N -1 0 335.400 3.674 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)CSc2ccc(Cl)cc2)C1 ZINC000387803947 968148972 /nfs/dbraw/zinc/14/89/72/968148972.db2.gz PDESMPZMALMJGS-INIZCTEOSA-N -1 0 341.860 3.536 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)NCc2cccc3ccccc32)C1 ZINC000392962846 968204133 /nfs/dbraw/zinc/20/41/33/968204133.db2.gz JGPKGAWQEUBHTQ-FQEVSTJZSA-N -1 0 340.423 3.626 20 0 EHADRM CCOc1ccc(NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc1F ZINC000583062538 968479718 /nfs/dbraw/zinc/47/97/18/968479718.db2.gz NPSYZXFIERQMHA-ZDUSSCGKSA-N -1 0 340.395 3.625 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)[C@]3(C(=O)[O-])CC=CCC3)cc2)oc1C ZINC000653293625 968641929 /nfs/dbraw/zinc/64/19/29/968641929.db2.gz BQFRSYAJASIMOL-IBGZPJMESA-N -1 0 340.379 3.708 20 0 EHADRM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000655567395 968682096 /nfs/dbraw/zinc/68/20/96/968682096.db2.gz NMJZNMFYMGJNNQ-ZBFHGGJFSA-N -1 0 334.460 3.538 20 0 EHADRM CC(C)[C@@H](CNC(=O)Cc1coc2ccc3ccccc3c12)C(=O)[O-] ZINC000655571490 968683322 /nfs/dbraw/zinc/68/33/22/968683322.db2.gz JIOWHYIQTFSTTI-MRXNPFEDSA-N -1 0 339.391 3.602 20 0 EHADRM C[C@@H](NC(=O)NC[C@H](C)C(=O)[O-])c1ccc(Oc2ccccc2)cc1 ZINC000655865482 968697509 /nfs/dbraw/zinc/69/75/09/968697509.db2.gz IIMTVPGNHAFKNI-UONOGXRCSA-N -1 0 342.395 3.560 20 0 EHADRM C[C@@H](CNC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000655888411 968705768 /nfs/dbraw/zinc/70/57/68/968705768.db2.gz KNKFXZFYJPQOIX-ZANVPECISA-N -1 0 345.226 3.561 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1C[C@@H](C)[C@@H]1c1ccccc1)CC(=O)[O-] ZINC000659418118 968738424 /nfs/dbraw/zinc/73/84/24/968738424.db2.gz YSOZGKGBZWJNKE-RVKKMQEKSA-N -1 0 332.444 3.526 20 0 EHADRM CC[C@H]1c2ccsc2CCN1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000666565879 968846303 /nfs/dbraw/zinc/84/63/03/968846303.db2.gz DGOVFPAOSLETCC-HNNXBMFYSA-N -1 0 344.436 3.665 20 0 EHADRM CC(C)[C@H](NC(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000750084806 969154882 /nfs/dbraw/zinc/15/48/82/969154882.db2.gz XWSUTCOKIZPAAR-RJNRQISESA-N -1 0 349.736 3.597 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C)c(F)c2)CC[C@@H]1C(=O)[O-] ZINC000887392966 969411262 /nfs/dbraw/zinc/41/12/62/969411262.db2.gz JYPNJTJMARWGIM-YPMHNXCESA-N -1 0 336.407 3.698 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Nc1ccc2scnc2c1 ZINC000899312363 969418985 /nfs/dbraw/zinc/41/89/85/969418985.db2.gz ZFMLDZBPBFMESI-GFCCVEGCSA-N -1 0 333.413 3.548 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)c2coc(/C=C\C(=O)[O-])c2)cc1 ZINC000901793472 969475869 /nfs/dbraw/zinc/47/58/69/969475869.db2.gz LIEJDFAYHQHAFA-JJEJIETFSA-N -1 0 325.364 3.663 20 0 EHADRM Cc1ccccc1C[C@H]1CCCN1C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC000901836949 969481809 /nfs/dbraw/zinc/48/18/09/969481809.db2.gz UWNXCFSGFPRDON-KBOKABMXSA-N -1 0 339.391 3.533 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2nc(C3CCC3)cs2)C1 ZINC000926109978 969658147 /nfs/dbraw/zinc/65/81/47/969658147.db2.gz OGLGJAMOCOPTHR-MRXNPFEDSA-N -1 0 337.445 3.519 20 0 EHADRM Cc1cc([C@H](C)NC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c(C)o1 ZINC001341308017 969748810 /nfs/dbraw/zinc/74/88/10/969748810.db2.gz NOXCRLVSIPYEBZ-MZPVMMEZSA-N -1 0 342.395 3.570 20 0 EHADRM C[C@@H](NC(=O)[C@H](C(=O)[O-])C1CCCC1)c1nc(C(C)(C)C)cs1 ZINC001350421203 969770295 /nfs/dbraw/zinc/77/02/95/969770295.db2.gz DFORVTANHOVMQX-ZWNOBZJWSA-N -1 0 338.473 3.509 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1Cc2cccc(Cl)c2C1)CC(=O)[O-] ZINC001353073361 969776696 /nfs/dbraw/zinc/77/66/96/969776696.db2.gz QYOSCAZDXURWEG-LBPRGKRZSA-N -1 0 338.835 3.502 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)NC(C2CCCC2)C2CCCC2)C1 ZINC001521187379 969788463 /nfs/dbraw/zinc/78/84/63/969788463.db2.gz LJRALXZQMWFJST-AWEZNQCLSA-N -1 0 336.476 3.632 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1NC(=O)c1cnc(C(=O)[O-])cn1 ZINC001607702399 970395954 /nfs/dbraw/zinc/39/59/54/970395954.db2.gz ORUIIIAROZONLD-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCCc2ccc(Cl)s2)c(F)c1 ZINC000318871685 970483324 /nfs/dbraw/zinc/48/33/24/970483324.db2.gz LEXGDZVSXVDXIS-UHFFFAOYSA-N -1 0 342.779 3.603 20 0 EHADRM C[C@@H](C(=O)[O-])c1noc(-c2cccc(OCc3cccs3)c2)n1 ZINC001609718477 970499243 /nfs/dbraw/zinc/49/92/43/970499243.db2.gz TVLYBPHDOXVYGT-SNVBAGLBSA-N -1 0 330.365 3.565 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cc(Cl)c(Cl)nc1C ZINC000319119776 970505459 /nfs/dbraw/zinc/50/54/59/970505459.db2.gz UNOQHQKXESKGRB-UHFFFAOYSA-N -1 0 339.178 3.956 20 0 EHADRM Cc1nc(Cl)c(Cl)cc1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000319174284 970509735 /nfs/dbraw/zinc/50/97/35/970509735.db2.gz IIJJNRGHNTWIOW-UHFFFAOYSA-N -1 0 343.141 3.786 20 0 EHADRM O=C([O-])c1coc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000319192131 970512920 /nfs/dbraw/zinc/51/29/20/970512920.db2.gz PISOUVOUCIMJAO-UHFFFAOYSA-N -1 0 333.649 3.902 20 0 EHADRM CC[C@H](C)[C@H](C)Nc1cc(I)cc(C(=O)[O-])c1 ZINC000319550466 970547022 /nfs/dbraw/zinc/54/70/22/970547022.db2.gz OLJXHXGNACCGOK-IUCAKERBSA-N -1 0 347.196 3.836 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)c1ccc3c(c1)CCC3)CCC2 ZINC000319923437 970589744 /nfs/dbraw/zinc/58/97/44/970589744.db2.gz AJUNMKRYQVPJEZ-UHFFFAOYSA-N -1 0 327.405 3.676 20 0 EHADRM O=C([O-])c1cc(NC(=O)NCCc2ccccc2F)ccc1Cl ZINC000320194384 970628981 /nfs/dbraw/zinc/62/89/81/970628981.db2.gz GSJIPRXHDUAHPQ-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)s1 ZINC000320583822 970682053 /nfs/dbraw/zinc/68/20/53/970682053.db2.gz VSUSUIHRSCRSQU-GFCCVEGCSA-N -1 0 332.425 3.657 20 0 EHADRM CN(C(=O)CCSc1ccccc1F)c1ccccc1C(=O)[O-] ZINC000320683533 970698032 /nfs/dbraw/zinc/69/80/32/970698032.db2.gz PDMYQJAQHYCZCR-UHFFFAOYSA-N -1 0 333.384 3.669 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)[C@@H](C)Oc2ccc(C)cc2)s1 ZINC000320850267 970723313 /nfs/dbraw/zinc/72/33/13/970723313.db2.gz PNVIEQCUUOJBEY-LLVKDONJSA-N -1 0 333.409 3.723 20 0 EHADRM O=C([O-])c1ccc([N+](=O)[O-])c(OCc2coc(-c3ccccc3)n2)c1 ZINC000392961949 972548334 /nfs/dbraw/zinc/54/83/34/972548334.db2.gz JTONNNDEYYCZEA-UHFFFAOYSA-N -1 0 340.291 3.527 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)[C@H]2CCC[C@H]21 ZINC000393505539 972606350 /nfs/dbraw/zinc/60/63/50/972606350.db2.gz HKXKZNIWLMSOTR-SKDRFNHKSA-N -1 0 338.354 3.705 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)c1cnc(CCC(F)(F)F)s1 ZINC001605863028 972616136 /nfs/dbraw/zinc/61/61/36/972616136.db2.gz FONLOBCAHCPGAF-UHFFFAOYSA-N -1 0 344.314 3.589 20 0 EHADRM Cc1c2cccc(C)c2oc1CN(C)C(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC001605082570 972725713 /nfs/dbraw/zinc/72/57/13/972725713.db2.gz QSWFFMSXKBBRGS-LJQANCHMSA-N -1 0 329.396 3.509 20 0 EHADRM C[C@@]1(F)CCCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)C1 ZINC001603346191 972748082 /nfs/dbraw/zinc/74/80/82/972748082.db2.gz HKXCXABCZULWDE-CQSZACIVSA-N -1 0 332.734 3.533 20 0 EHADRM O=C([O-])C1(C(=O)N2CCC[C@@](F)(c3ccccc3)C2)CCCCC1 ZINC001605911789 972778937 /nfs/dbraw/zinc/77/89/37/972778937.db2.gz FIGYHRMBFHTMAI-IBGZPJMESA-N -1 0 333.403 3.509 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2cnc(C(F)(F)F)c(C)c2)c1 ZINC001605141335 972817459 /nfs/dbraw/zinc/81/74/59/972817459.db2.gz RCCOEICPZBSVTQ-UHFFFAOYSA-N -1 0 338.285 3.668 20 0 EHADRM Cc1cc2[nH]c(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)cc2c(C)c1 ZINC001605152844 972839981 /nfs/dbraw/zinc/83/99/81/972839981.db2.gz GTZHQMKJWGNLDZ-AWEZNQCLSA-N -1 0 330.428 3.652 20 0 EHADRM C[C@@H](Cc1cccs1)NC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000396346162 972857218 /nfs/dbraw/zinc/85/72/18/972857218.db2.gz BCNGEFBRWJCXDB-RYUDHWBXSA-N -1 0 332.425 3.689 20 0 EHADRM Cc1cnc([C@@H](C)NC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)s1 ZINC000396438023 972887908 /nfs/dbraw/zinc/88/79/08/972887908.db2.gz MGXZJZQXQHGJRK-GHMZBOCLSA-N -1 0 333.413 3.522 20 0 EHADRM Cc1cccc(OCCC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c1 ZINC000396444351 972890723 /nfs/dbraw/zinc/89/07/23/972890723.db2.gz PAEBIKQWBCQTNT-CQSZACIVSA-N -1 0 327.380 3.591 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NC[C@@H]2CCCCC2(F)F)cc1 ZINC000396508023 972909828 /nfs/dbraw/zinc/90/98/28/972909828.db2.gz QUNAHLNDLHBOHD-YPMHNXCESA-N -1 0 340.370 3.822 20 0 EHADRM Cc1cc(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)ccc1OC(C)C ZINC001605192225 972910271 /nfs/dbraw/zinc/91/02/71/972910271.db2.gz FMVIDPPYHLIHQP-RMKNXTFCSA-N -1 0 329.352 3.725 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1 ZINC000396513879 972911291 /nfs/dbraw/zinc/91/12/91/972911291.db2.gz SHVSNMDZTKGMME-JTQLQIEISA-N -1 0 335.306 3.728 20 0 EHADRM COc1ccc(Cl)cc1C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000396624248 972924162 /nfs/dbraw/zinc/92/41/62/972924162.db2.gz LHVXATWBSHFIRN-SNVBAGLBSA-N -1 0 333.771 3.789 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2CCCc3sccc32)cc1 ZINC000396659296 972931931 /nfs/dbraw/zinc/93/19/31/972931931.db2.gz XPGDYVGDGXBGRL-IAQYHMDHSA-N -1 0 329.421 3.995 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1 ZINC000396662033 972932123 /nfs/dbraw/zinc/93/21/23/972932123.db2.gz YODUJSLFPWRSHV-SECBINFHSA-N -1 0 348.742 3.689 20 0 EHADRM Cc1cc(NC(=O)Nc2ccnn2CCC(C)C)ccc1C(=O)[O-] ZINC001605206989 972947295 /nfs/dbraw/zinc/94/72/95/972947295.db2.gz BKUCOHWWSMXVKA-UHFFFAOYSA-N -1 0 330.388 3.580 20 0 EHADRM Cc1cc2scc(CC(=O)N3C[C@@H](C(=O)[O-])CC[C@H]3C)c2s1 ZINC001605232629 972986485 /nfs/dbraw/zinc/98/64/85/972986485.db2.gz BILHZYYUAYPKTM-KOLCDFICSA-N -1 0 337.466 3.525 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2ccnc(C(=O)[O-])c2)o1 ZINC001605263582 973043433 /nfs/dbraw/zinc/04/34/33/973043433.db2.gz YGADGWDCMLCMNF-NHYWBVRUSA-N -1 0 343.383 3.686 20 0 EHADRM Cc1ccc(OC(=O)c2coc(C=CC(=O)[O-])c2)c2c1[C@@H](C)CC2=O ZINC001605297054 973110141 /nfs/dbraw/zinc/11/01/41/973110141.db2.gz UJINLTXJGYHANS-QZPNVGJNSA-N -1 0 340.331 3.595 20 0 EHADRM Cc1ccc2nc(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])ccc2c1 ZINC001605314807 973143826 /nfs/dbraw/zinc/14/38/26/973143826.db2.gz KKZVZUKGBBXRGB-MRXNPFEDSA-N -1 0 328.412 3.553 20 0 EHADRM Cc1cccc([C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C(=O)[O-])c1 ZINC001605327554 973168613 /nfs/dbraw/zinc/16/86/13/973168613.db2.gz DLTKUBOWPPEEBG-BBWFWOEESA-N -1 0 343.810 3.694 20 0 EHADRM Cc1cccc([C@H](NC(=O)[C@@H](C)Sc2ccc(F)cc2)C(=O)[O-])c1 ZINC001605328710 973187066 /nfs/dbraw/zinc/18/70/66/973187066.db2.gz PTMOHSWFCQMHMC-WBMJQRKESA-N -1 0 347.411 3.557 20 0 EHADRM C[C@H]1CN(C(=O)C(C)(C)c2cccc3ccccc32)CC[C@@H]1C(=O)[O-] ZINC001603440665 973226555 /nfs/dbraw/zinc/22/65/55/973226555.db2.gz ZQTIYDVRMDKCRO-HOCLYGCPSA-N -1 0 339.435 3.687 20 0 EHADRM Cc1cccc2cc(C(=O)N3CCC[C@H](C)[C@H]3C(=O)[O-])c(Cl)nc12 ZINC001605349705 973247425 /nfs/dbraw/zinc/24/74/25/973247425.db2.gz BAGFJXJLGFRDCR-NHYWBVRUSA-N -1 0 346.814 3.522 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)Nc2csc(-c3ccccc3)n2)C1 ZINC001606089646 973254905 /nfs/dbraw/zinc/25/49/05/973254905.db2.gz YINHZLCGCLLMQU-GFCCVEGCSA-N -1 0 345.424 3.529 20 0 EHADRM Cc1cccnc1C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001605360500 973293616 /nfs/dbraw/zinc/29/36/16/973293616.db2.gz QENANSWBUJTOAX-SECBINFHSA-N -1 0 330.409 3.527 20 0 EHADRM CO[C@@](C)(C(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC001604463637 973324149 /nfs/dbraw/zinc/32/41/49/973324149.db2.gz FGXIQDCPOMCNSH-QGZVFWFLSA-N -1 0 349.770 3.561 20 0 EHADRM C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001603482665 973396453 /nfs/dbraw/zinc/39/64/53/973396453.db2.gz PXZILVBMBUBXFH-JMJZKYOTSA-N -1 0 342.222 3.550 20 0 EHADRM CCC(C)(C)OCc1ccccc1NC(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC001603508777 973496300 /nfs/dbraw/zinc/49/63/00/973496300.db2.gz WXWPWIJFLZZNID-CYBMUJFWSA-N -1 0 336.432 3.576 20 0 EHADRM Cc1onc(-c2ccccc2Cl)c1-c1nc([C@H](C)C(=O)[O-])no1 ZINC001605460096 973554087 /nfs/dbraw/zinc/55/40/87/973554087.db2.gz OHRPLARHPXIXHX-ZETCQYMHSA-N -1 0 333.731 3.542 20 0 EHADRM CCC(CC)(CNC(=O)N1CCC[C@H](Cc2ccccc2)C1)C(=O)[O-] ZINC001603533912 973584610 /nfs/dbraw/zinc/58/46/10/973584610.db2.gz MCOCNCCASKKVSU-QGZVFWFLSA-N -1 0 346.471 3.542 20 0 EHADRM CCC(CC)(CNC(=O)N[C@@H](C)c1ccc(Cl)c(F)c1)C(=O)[O-] ZINC001603535256 973588850 /nfs/dbraw/zinc/58/88/50/973588850.db2.gz LAXIHRZKXKTJIJ-JTQLQIEISA-N -1 0 344.814 3.730 20 0 EHADRM CCC(CC)(CNC(=O)NC1(c2ccccc2Cl)CC1)C(=O)[O-] ZINC001603535765 973591519 /nfs/dbraw/zinc/59/15/19/973591519.db2.gz YIHZUTIPTSGXOZ-UHFFFAOYSA-N -1 0 338.835 3.519 20 0 EHADRM CC[C@@H](CNC(=O)N1CCC[C@@]1(CC)CCc1ccccc1)C(=O)[O-] ZINC001603557441 973645904 /nfs/dbraw/zinc/64/59/04/973645904.db2.gz VDWDCKXJZQSKFP-PXNSSMCTSA-N -1 0 346.471 3.684 20 0 EHADRM CC[C@H](CNC(=O)N(CC)Cc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001603557438 973645952 /nfs/dbraw/zinc/64/59/52/973645952.db2.gz VDDYXPBCXBDMAZ-LLVKDONJSA-N -1 0 347.242 3.636 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cscc2Br)c(F)c1 ZINC000404943142 973757392 /nfs/dbraw/zinc/75/73/92/973757392.db2.gz MUBQZQHWIXVOPH-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)CCc2c[nH]c3cc(C)ccc23)C1 ZINC001603593278 973801409 /nfs/dbraw/zinc/80/14/09/973801409.db2.gz FFLMKORIBAMOTF-HXUWFJFHSA-N -1 0 342.439 3.512 20 0 EHADRM O=C([O-])[C@H](CNC(=O)/C=C/c1cc(Cl)cc(Cl)c1)CC1CC1 ZINC000405259867 973805946 /nfs/dbraw/zinc/80/59/46/973805946.db2.gz MQPAHMUIYHUGBV-PCAWENJQSA-N -1 0 342.222 3.624 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C2(c3ccccc3F)CCCC2)C1 ZINC001603594070 973815602 /nfs/dbraw/zinc/81/56/02/973815602.db2.gz OQFUDBCCULTAKJ-LJQANCHMSA-N -1 0 347.430 3.741 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC001606401347 973855412 /nfs/dbraw/zinc/85/54/12/973855412.db2.gz FZHYRSKZPUEEQG-ZACQAIPSSA-N -1 0 327.424 3.631 20 0 EHADRM CC(C)(CC(=O)Nc1ccc(Br)c(C(=O)[O-])c1)C1CC1 ZINC000405817684 973906532 /nfs/dbraw/zinc/90/65/32/973906532.db2.gz ZURYUNUSFZBCAB-UHFFFAOYSA-N -1 0 340.217 3.912 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)c[nH]2)ccn1 ZINC001606465924 973936129 /nfs/dbraw/zinc/93/61/29/973936129.db2.gz GWSKXQWHDANVCH-UHFFFAOYSA-N -1 0 341.754 3.681 20 0 EHADRM CCN(Cc1ccc(Cl)cc1)C(=O)NCCCCCC(=O)[O-] ZINC000414621932 973942535 /nfs/dbraw/zinc/94/25/35/973942535.db2.gz FWDLWULQBSEGAO-UHFFFAOYSA-N -1 0 326.824 3.517 20 0 EHADRM O=C([O-])CCCCCNC(=O)N1CCC[C@H]1c1ccccc1Cl ZINC000414631711 973943966 /nfs/dbraw/zinc/94/39/66/973943966.db2.gz WOAZRHVSYRCEKF-HNNXBMFYSA-N -1 0 338.835 3.832 20 0 EHADRM O=C([O-])c1ccc(C(=O)OCc2ccc(Br)cc2)cc1 ZINC001606478606 973957386 /nfs/dbraw/zinc/95/73/86/973957386.db2.gz MSVMLMLDPQBVFD-UHFFFAOYSA-N -1 0 335.153 3.504 20 0 EHADRM CCOc1ccc(Cl)c(NC(=O)NCCCCCC(=O)[O-])c1 ZINC000417796199 973968678 /nfs/dbraw/zinc/96/86/78/973968678.db2.gz RUIXVADWBUNTSA-UHFFFAOYSA-N -1 0 328.796 3.505 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N2CC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC001606489290 973973298 /nfs/dbraw/zinc/97/32/98/973973298.db2.gz SFZSDBARVKANBD-MRXNPFEDSA-N -1 0 344.798 3.695 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2ccccc2OC(F)(F)F)cc1 ZINC001606495420 973981787 /nfs/dbraw/zinc/98/17/87/973981787.db2.gz ZPDQCTOFNGKPNT-UHFFFAOYSA-N -1 0 340.253 3.640 20 0 EHADRM O=C([O-])c1ccc(CSc2nnc(NCC(F)(F)F)s2)cc1 ZINC001606495686 973982648 /nfs/dbraw/zinc/98/26/48/973982648.db2.gz HAMXYNMQKHGCLD-UHFFFAOYSA-N -1 0 349.359 3.503 20 0 EHADRM Cc1cc(C)cc([C@@H](NCc2cnc(C(C)(C)C)s2)C(=O)[O-])c1 ZINC000426742264 974046450 /nfs/dbraw/zinc/04/64/50/974046450.db2.gz JDZATWSXHCHLCC-OAHLLOKOSA-N -1 0 332.469 3.973 20 0 EHADRM O=C([O-])[C@@H](NCc1nc(-c2ccccc2)cs1)c1cccs1 ZINC000426787589 974047054 /nfs/dbraw/zinc/04/70/54/974047054.db2.gz GBVLMBPJDFMJSI-HNNXBMFYSA-N -1 0 330.434 3.787 20 0 EHADRM O=C([O-])[C@@H](NCc1cccc(OC2CCCC2)c1)c1cccs1 ZINC000426779964 974047196 /nfs/dbraw/zinc/04/71/96/974047196.db2.gz MYBAVINRHXAVOC-KRWDZBQOSA-N -1 0 331.437 3.985 20 0 EHADRM O=C([O-])[C@@H](NCc1cc(F)ccc1Br)c1ccsc1 ZINC000426818578 974048944 /nfs/dbraw/zinc/04/89/44/974048944.db2.gz SDXKDMQHYZMPJQ-LBPRGKRZSA-N -1 0 344.205 3.565 20 0 EHADRM Cc1ccc(CN[C@H](C(=O)[O-])c2cccs2)c(Br)c1 ZINC000426797899 974049237 /nfs/dbraw/zinc/04/92/37/974049237.db2.gz HKXPCEQIPXRPDW-ZDUSSCGKSA-N -1 0 340.242 3.735 20 0 EHADRM COCc1cc(NC(=O)Cc2cccc3ccccc32)cc(C(=O)[O-])c1 ZINC000427687418 974055784 /nfs/dbraw/zinc/05/57/84/974055784.db2.gz VZTYXPSENAKXSR-UHFFFAOYSA-N -1 0 349.386 3.866 20 0 EHADRM COc1ccc(CNC(=O)CC2CCC(C)(C)CC2)cc1C(=O)[O-] ZINC000431221375 974062910 /nfs/dbraw/zinc/06/29/10/974062910.db2.gz JKBBDZCIHNHLCG-UHFFFAOYSA-N -1 0 333.428 3.616 20 0 EHADRM Cc1cc(C)c(CC(=O)N[C@H](CCC(=O)[O-])c2ccccc2)c(C)c1 ZINC000431447135 974065271 /nfs/dbraw/zinc/06/52/71/974065271.db2.gz SYVHOXSKRVJING-LJQANCHMSA-N -1 0 339.435 3.877 20 0 EHADRM CC[C@H](C)Oc1cc(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)ccn1 ZINC000431513487 974066502 /nfs/dbraw/zinc/06/65/02/974066502.db2.gz LSVPETKXYKHYHA-LBPRGKRZSA-N -1 0 328.368 3.518 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)Nc2ccc(F)cc2-n2cccc2)o1 ZINC001605668088 974069541 /nfs/dbraw/zinc/06/95/41/974069541.db2.gz NQQRCHCOBCJGOD-YVMONPNESA-N -1 0 340.310 3.560 20 0 EHADRM O=C([O-])C1(CNC(=O)CCc2ccc3ccccc3c2)CCCCC1 ZINC000431870159 974077613 /nfs/dbraw/zinc/07/76/13/974077613.db2.gz HSPULZZWEFMHMI-UHFFFAOYSA-N -1 0 339.435 3.924 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccc(F)cc1F ZINC000431992735 974081529 /nfs/dbraw/zinc/08/15/29/974081529.db2.gz PUSKRWIDRKQMEG-NSHDSACASA-N -1 0 349.333 3.561 20 0 EHADRM Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000431997138 974082857 /nfs/dbraw/zinc/08/28/57/974082857.db2.gz DFOZSTJNEZTLLD-UHFFFAOYSA-N -1 0 346.386 3.936 20 0 EHADRM C[C@]1(NC(=O)c2ccc(-c3ccccc3F)o2)CCCC[C@@H]1C(=O)[O-] ZINC000432089642 974085646 /nfs/dbraw/zinc/08/56/46/974085646.db2.gz OYANFPDMNUAQOD-YJYMSZOUSA-N -1 0 345.370 3.849 20 0 EHADRM COc1ccc2cc([C@@H](C)OC(=O)[C@@H](C(=O)[O-])C3CC3)ccc2c1 ZINC001604850915 974090899 /nfs/dbraw/zinc/09/08/99/974090899.db2.gz DBHUYBQXPIYGQV-PIGZYNQJSA-N -1 0 328.364 3.563 20 0 EHADRM CCN(C(=O)CCC(=O)[O-])[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC001603705846 974112309 /nfs/dbraw/zinc/11/23/09/974112309.db2.gz OLFAVIJNRLNNKE-SFHVURJKSA-N -1 0 346.814 3.538 20 0 EHADRM CCOc1ccc(NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)c(C)c1 ZINC001605694305 974112611 /nfs/dbraw/zinc/11/26/11/974112611.db2.gz GHXPXKWPVSIWPQ-CQSZACIVSA-N -1 0 334.416 3.502 20 0 EHADRM CC[C@@H](C(=O)N(CC(=O)[O-])Cc1ccc(F)c(F)c1)c1ccccc1 ZINC000447896088 974125096 /nfs/dbraw/zinc/12/50/96/974125096.db2.gz HSYXSSSVORRKEL-OAHLLOKOSA-N -1 0 347.361 3.572 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NCc1ccc(-c2ccco2)cc1F ZINC000448109345 974125566 /nfs/dbraw/zinc/12/55/66/974125566.db2.gz OLQCXAYKTOYEBY-UHFFFAOYSA-N -1 0 333.359 3.593 20 0 EHADRM Cc1ccccc1C[C@H](C)N(C)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000450545679 974149844 /nfs/dbraw/zinc/14/98/44/974149844.db2.gz ZWZXZWMKVACBBR-INIZCTEOSA-N -1 0 339.435 3.715 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)Oc1cccc(-c2ccncc2)c1 ZINC001605719912 974153570 /nfs/dbraw/zinc/15/35/70/974153570.db2.gz QCBXXJXAFFHOAW-UHFFFAOYSA-N -1 0 333.343 3.595 20 0 EHADRM CSCc1ccc(C(=O)N(Cc2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000455891352 974163229 /nfs/dbraw/zinc/16/32/29/974163229.db2.gz GUOSVFLRBVSEKV-AWEZNQCLSA-N -1 0 343.448 3.665 20 0 EHADRM C[C@H](NC(=O)c1cccc(C(F)F)c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000455894607 974164484 /nfs/dbraw/zinc/16/44/84/974164484.db2.gz CBEZDXBPDSXASB-LRDDRELGSA-N -1 0 347.361 3.686 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)[C@@H]1CCCc2sccc21 ZINC000455912178 974166940 /nfs/dbraw/zinc/16/69/40/974166940.db2.gz VXPGJUPRFDQXOO-CZUORRHYSA-N -1 0 343.448 3.670 20 0 EHADRM O=C([O-])c1cc(Br)cc(C(=O)Nc2ccccc2F)c1 ZINC000462895551 974186437 /nfs/dbraw/zinc/18/64/37/974186437.db2.gz LMGGVIDDYZRTFK-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc3c(cc[nH]c3=O)c2)cc1C(F)(F)F ZINC001211487314 1014172968 /nfs/dbraw/zinc/17/29/68/1014172968.db2.gz BSNBTLVMQYJNKO-UHFFFAOYSA-N -1 0 348.280 3.989 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)c(F)c1 ZINC000478840670 974210369 /nfs/dbraw/zinc/21/03/69/974210369.db2.gz OZJZMYFRTPHSLD-KBXCAEBGSA-N -1 0 341.382 3.665 20 0 EHADRM Cc1oc(CN(C)C(=O)/C=C/c2ccccc2Cl)cc1C(=O)[O-] ZINC000492157407 974257862 /nfs/dbraw/zinc/25/78/62/974257862.db2.gz SUWLQNJIILFFAI-BQYQJAHWSA-N -1 0 333.771 3.611 20 0 EHADRM CC(C)(C)c1ncc(/C=C\C(=O)Nc2ccc(CC(=O)[O-])cc2)s1 ZINC000492533283 974258614 /nfs/dbraw/zinc/25/86/14/974258614.db2.gz JHQYVPRVKNKOHP-HJWRWDBZSA-N -1 0 344.436 3.720 20 0 EHADRM CC1(C)CN(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c2cccc(Cl)c21 ZINC000499165765 974265755 /nfs/dbraw/zinc/26/57/55/974265755.db2.gz BOAPTJOXVLCGQZ-RYUDHWBXSA-N -1 0 335.831 3.855 20 0 EHADRM Cc1cc(S(=O)(=O)N(C)c2ccc(C(C)C)cc2)ccc1C(=O)[O-] ZINC000507921360 974279611 /nfs/dbraw/zinc/27/96/11/974279611.db2.gz MZWIOKQBSDCXRT-UHFFFAOYSA-N -1 0 347.436 3.642 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)CC1CCC(C(F)(F)F)CC1 ZINC000517247591 974317671 /nfs/dbraw/zinc/31/76/71/974317671.db2.gz XAMREBFQNNAKRH-BPCQOVAHSA-N -1 0 337.382 3.703 20 0 EHADRM CC(C)(C)c1cnc(CN(CCCC(=O)[O-])Cc2ccccc2)o1 ZINC000521258167 974343729 /nfs/dbraw/zinc/34/37/29/974343729.db2.gz USXZJNJRRMKCAG-UHFFFAOYSA-N -1 0 330.428 3.839 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2cnc(-c3ccco3)s2)CCCCC1 ZINC000538576732 974390773 /nfs/dbraw/zinc/39/07/73/974390773.db2.gz AXBPFCBQBVFFEN-UHFFFAOYSA-N -1 0 348.424 3.558 20 0 EHADRM O=C([O-])c1cccc(CC(=O)Nc2ccc3c4c(cccc42)CC3)c1 ZINC000540773961 974407709 /nfs/dbraw/zinc/40/77/09/974407709.db2.gz IWBISNIXFUWVBZ-UHFFFAOYSA-N -1 0 331.371 3.818 20 0 EHADRM CCc1cc(C(=O)Nc2c[nH]nc2C(=O)[O-])sc1-c1ccccc1 ZINC001603967908 974446909 /nfs/dbraw/zinc/44/69/09/974446909.db2.gz NPFJBMUSAAQUGA-UHFFFAOYSA-N -1 0 341.392 3.651 20 0 EHADRM CCc1ccc([C@H](C)NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC001603975296 974466110 /nfs/dbraw/zinc/46/61/10/974466110.db2.gz DVXRFVMHDPWJHM-WMLDXEAASA-N -1 0 332.444 3.739 20 0 EHADRM Cc1cc(C)cc(OCC(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC000555743303 974487909 /nfs/dbraw/zinc/48/79/09/974487909.db2.gz QODHDAQVRUIADD-HNNXBMFYSA-N -1 0 341.407 3.584 20 0 EHADRM C[C@@]1(NC(=O)CCc2ccc(C(=O)[O-])cc2)CCCc2ccccc21 ZINC000557967998 974491862 /nfs/dbraw/zinc/49/18/62/974491862.db2.gz XWVCLAIAAOJKET-OAQYLSRUSA-N -1 0 337.419 3.685 20 0 EHADRM CCOc1cccc2cc([C@@H](C)NC(=O)C[C@@H](C)CC(=O)[O-])oc21 ZINC000563422944 974531064 /nfs/dbraw/zinc/53/10/64/974531064.db2.gz IWVALYFNTSNCQF-VXGBXAGGSA-N -1 0 333.384 3.510 20 0 EHADRM C[C@H](c1nc2ccccc2n1C(F)F)N1CCC(CC(=O)[O-])CC1 ZINC000565102603 974568983 /nfs/dbraw/zinc/56/89/83/974568983.db2.gz AWJJSHYQXMQNNI-LLVKDONJSA-N -1 0 337.370 3.679 20 0 EHADRM C[C@H](c1ccc(C(=O)[O-])o1)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000565366512 974580461 /nfs/dbraw/zinc/58/04/61/974580461.db2.gz SUXNTJSOACDZTJ-BDJLRTHQSA-N -1 0 335.787 3.766 20 0 EHADRM CC(C)COc1cccc(CN[C@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC000566239240 974599844 /nfs/dbraw/zinc/59/98/44/974599844.db2.gz OIEKFCSFKKGAAX-GFCCVEGCSA-N -1 0 334.441 3.727 20 0 EHADRM CC(C)(C)[C@H]1CN(Cc2noc(CCCC(=O)[O-])n2)c2ccccc21 ZINC000568066060 974659294 /nfs/dbraw/zinc/65/92/94/974659294.db2.gz OITRVYPZKRFDOQ-AWEZNQCLSA-N -1 0 343.427 3.627 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000568415295 974670265 /nfs/dbraw/zinc/67/02/65/974670265.db2.gz NQCHWOAGACFSIV-XQQFMLRXSA-N -1 0 325.836 3.791 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CN(Cc2nc(C(=O)[O-])cs2)C2CC2)o1 ZINC000570808134 974718515 /nfs/dbraw/zinc/71/85/15/974718515.db2.gz CXLSOMUHGLHOIK-GWCFXTLKSA-N -1 0 332.425 3.722 20 0 EHADRM CCO[C@H](C)c1nc(CN(C)CCc2ccccc2C(=O)[O-])cs1 ZINC000571453287 974729623 /nfs/dbraw/zinc/72/96/23/974729623.db2.gz PVGJCHHFBYUWNT-CYBMUJFWSA-N -1 0 348.468 3.613 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCC[C@H]2c2cccc(Cl)c2)nc1 ZINC000571732554 974735426 /nfs/dbraw/zinc/73/54/26/974735426.db2.gz VDMRFSRWJYRKBT-INIZCTEOSA-N -1 0 344.798 3.801 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(CO)cc2F)cc1C(F)(F)F ZINC001211487905 1014219328 /nfs/dbraw/zinc/21/93/28/1014219328.db2.gz WABIBNKOGOZIIG-UHFFFAOYSA-N -1 0 329.249 3.779 20 0 EHADRM O=C([O-])c1csc(CN2CCC[C@H]2c2nc3ccccc3s2)n1 ZINC000577226264 974832099 /nfs/dbraw/zinc/83/20/99/974832099.db2.gz FOTUPSHIFMSZCL-LBPRGKRZSA-N -1 0 345.449 3.788 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N(C)Cc1ccccc1-c1ccccc1 ZINC000579859613 974884174 /nfs/dbraw/zinc/88/41/74/974884174.db2.gz YWDQDOSCCIXMOE-OAHLLOKOSA-N -1 0 325.408 3.813 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@H](Cc1ccccc1)c1ccccc1F ZINC000580095570 974888534 /nfs/dbraw/zinc/88/85/34/974888534.db2.gz YUWXYOXZUDIHJU-RDTXWAMCSA-N -1 0 343.398 3.727 20 0 EHADRM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)C[C@H](C)CC(=O)[O-] ZINC000583823497 974946089 /nfs/dbraw/zinc/94/60/89/974946089.db2.gz ZJLCSUGJQBIQOM-CMPLNLGQSA-N -1 0 326.462 3.595 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1)n1cccc1 ZINC000584458382 974955317 /nfs/dbraw/zinc/95/53/17/974955317.db2.gz MYJFGURQGCMITQ-RDJZCZTQSA-N -1 0 334.460 3.759 20 0 EHADRM CCc1ccc(C(=O)CCC(=O)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC000621575433 975037053 /nfs/dbraw/zinc/03/70/53/975037053.db2.gz NIFPVASMIAKDSL-UHFFFAOYSA-N -1 0 339.391 3.857 20 0 EHADRM C[C@@H](CC(=O)N1CCc2c(cccc2C(=O)[O-])C1)C1CCCCC1 ZINC000621578739 975039036 /nfs/dbraw/zinc/03/90/36/975039036.db2.gz FUMAFLLMJILXTC-AWEZNQCLSA-N -1 0 329.440 3.876 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)C[C@@H]1CCc2ccccc21 ZINC000621588097 975045463 /nfs/dbraw/zinc/04/54/63/975045463.db2.gz PWVPWOFIKZQHOM-IHPCNDPISA-N -1 0 349.430 3.923 20 0 EHADRM C[C@H](C(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1)c1cccc(F)c1 ZINC000621588355 975045948 /nfs/dbraw/zinc/04/59/48/975045948.db2.gz WJLQIYWORUSRSF-KKXDTOCCSA-N -1 0 341.382 3.746 20 0 EHADRM Cc1ccc(C)c(S([O-])=CC(=O)N[C@H](C)c2ccc(C)c(C)c2)c1 ZINC000107966174 1014232905 /nfs/dbraw/zinc/23/29/05/1014232905.db2.gz YISVTYKXGTWTNS-MZNJEOGPSA-N -1 0 343.492 3.905 20 0 EHADRM CCc1ccc(C(C)(C)C(=O)N[C@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC000621611721 975060892 /nfs/dbraw/zinc/06/08/92/975060892.db2.gz JZQJNPHMVQLBKX-LLVKDONJSA-N -1 0 346.452 3.559 20 0 EHADRM CC(C)C[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1ccccc1 ZINC000626745036 975067807 /nfs/dbraw/zinc/06/78/07/975067807.db2.gz QIFWMFJGWFAASK-UAGQMJEPSA-N -1 0 332.444 3.526 20 0 EHADRM O=C([O-])c1cnc(C2CCN(c3ccc4ccccc4n3)CC2)s1 ZINC000629384441 975093113 /nfs/dbraw/zinc/09/31/13/975093113.db2.gz XYZAHGMSHSMRQF-UHFFFAOYSA-N -1 0 339.420 3.774 20 0 EHADRM Cc1ccccc1-c1nsc(N2CCC(CCC(=O)[O-])CC2)n1 ZINC000629767306 975096392 /nfs/dbraw/zinc/09/63/92/975096392.db2.gz KEQJFCSYFFDOOI-UHFFFAOYSA-N -1 0 331.441 3.595 20 0 EHADRM Cc1cc(C(=O)N[C@H](C)c2ccc(OC(C)C)cc2)oc1C(=O)[O-] ZINC000630113734 975107162 /nfs/dbraw/zinc/10/71/62/975107162.db2.gz RRLGDIWIFYPPBD-GFCCVEGCSA-N -1 0 331.368 3.564 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)CCc1ccc(C(F)F)cc1 ZINC000630125256 975111721 /nfs/dbraw/zinc/11/17/21/975111721.db2.gz NUXFLGZYVUGEAF-UHFFFAOYSA-N -1 0 327.371 3.516 20 0 EHADRM CC1(C)C[C@@H](C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C(C)(C)O1 ZINC000630133477 975117811 /nfs/dbraw/zinc/11/78/11/975117811.db2.gz GIALDNSSBGLCBU-NSHDSACASA-N -1 0 325.792 3.570 20 0 EHADRM Cc1ccccc1C[C@H](C)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000630142187 975125996 /nfs/dbraw/zinc/12/59/96/975125996.db2.gz KJYPERYCBNAIIY-HNNXBMFYSA-N -1 0 325.408 3.830 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000630143962 975127047 /nfs/dbraw/zinc/12/70/47/975127047.db2.gz VBSUAXUYEBYQTM-MSOLQXFVSA-N -1 0 341.382 3.975 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)C[C@@H](C)c2ccco2)cc1 ZINC000630144908 975128239 /nfs/dbraw/zinc/12/82/39/975128239.db2.gz ODVIQUDCENMUEW-IUODEOHRSA-N -1 0 347.436 3.827 20 0 EHADRM Cc1cc(C)c(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)s1 ZINC000630145299 975128317 /nfs/dbraw/zinc/12/83/17/975128317.db2.gz XMWMIXPMBNAALR-UHFFFAOYSA-N -1 0 333.409 3.861 20 0 EHADRM Cc1cc(C(=O)NCc2cc(C)cc3c(C)c(C)[nH]c32)oc1C(=O)[O-] ZINC000630152825 975132205 /nfs/dbraw/zinc/13/22/05/975132205.db2.gz YSAFLJRLYYCPFO-UHFFFAOYSA-N -1 0 340.379 3.623 20 0 EHADRM C[C@@H](CC(=O)N(CCCC(=O)[O-])Cc1ccccc1)c1ccco1 ZINC000630159636 975135704 /nfs/dbraw/zinc/13/57/04/975135704.db2.gz NZPNANRIJJROEP-HNNXBMFYSA-N -1 0 329.396 3.667 20 0 EHADRM Cc1oc(-c2ccccc2)cc1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000630161364 975136835 /nfs/dbraw/zinc/13/68/35/975136835.db2.gz ZBEJJFGRNSWGCX-OAHLLOKOSA-N -1 0 341.407 3.972 20 0 EHADRM CCC[C@@H](C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1)c1ccccn1 ZINC000630162335 975137337 /nfs/dbraw/zinc/13/73/37/975137337.db2.gz IHVMALDDEHNCGH-WMLDXEAASA-N -1 0 340.423 3.867 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)CCc2ccc(C(F)F)cc2)c2ccccc21 ZINC000630171144 975141636 /nfs/dbraw/zinc/14/16/36/975141636.db2.gz QYOVNBVMYDVMHF-HNNXBMFYSA-N -1 0 345.345 3.772 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC000630185300 975147000 /nfs/dbraw/zinc/14/70/00/975147000.db2.gz ZLZBJODJUNGLAJ-GJZGRUSLSA-N -1 0 343.354 3.665 20 0 EHADRM Cc1ccccc1CO[C@@H](C)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000630194784 975152647 /nfs/dbraw/zinc/15/26/47/975152647.db2.gz VHGYQVGXFZTADF-CABCVRRESA-N -1 0 341.407 3.727 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@H]2c2c(C)cccc2C)oc1C(=O)[O-] ZINC000630203235 975158256 /nfs/dbraw/zinc/15/82/56/975158256.db2.gz CZCBGCSPJHDQDC-AWEZNQCLSA-N -1 0 327.380 3.880 20 0 EHADRM C[C@H](NC(=O)CC(C1CCC1)C1CCC1)c1ncc(C(=O)[O-])s1 ZINC000630218446 975164800 /nfs/dbraw/zinc/16/48/00/975164800.db2.gz DUWVTRLNOICYPZ-JTQLQIEISA-N -1 0 336.457 3.625 20 0 EHADRM CC(C)CN(Cc1cccc(C(F)(F)F)c1)C(=O)CCC(=O)[O-] ZINC000630234123 975181134 /nfs/dbraw/zinc/18/11/34/975181134.db2.gz LCQZEOCEGKPXPI-UHFFFAOYSA-N -1 0 331.334 3.555 20 0 EHADRM CC(C)CC1(C(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)CCC1 ZINC000630239938 975185042 /nfs/dbraw/zinc/18/50/42/975185042.db2.gz DAPOFZGVWBDFNW-UHFFFAOYSA-N -1 0 333.403 3.625 20 0 EHADRM CCC[C@H]1CCC[C@H]1C(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000630242825 975188251 /nfs/dbraw/zinc/18/82/51/975188251.db2.gz UHTSSZJJNDVADR-QWHCGFSZSA-N -1 0 333.403 3.625 20 0 EHADRM CCC[C@H]1CCC[C@@H]1C(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000630242833 975188300 /nfs/dbraw/zinc/18/83/00/975188300.db2.gz UHTSSZJJNDVADR-STQMWFEESA-N -1 0 333.403 3.625 20 0 EHADRM CCCC[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC000630255703 975198718 /nfs/dbraw/zinc/19/87/18/975198718.db2.gz NOQFMPBSZPXRMI-SNVBAGLBSA-N -1 0 329.343 3.794 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)C[C@]12CCCC[C@H]1C2(F)F)C1CCCCC1 ZINC000630266622 975210402 /nfs/dbraw/zinc/21/04/02/975210402.db2.gz GERKYINUIVYZOC-JJRVBVJISA-N -1 0 343.414 3.599 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000630292073 975233608 /nfs/dbraw/zinc/23/36/08/975233608.db2.gz VQSFSNFJAIHRRZ-MRXNPFEDSA-N -1 0 343.810 3.597 20 0 EHADRM Cc1scc(CNC(=O)c2ccccc2S[C@H](C)C(=O)[O-])c1C ZINC000630312721 975246518 /nfs/dbraw/zinc/24/65/18/975246518.db2.gz AOAARHJVXDMIPJ-GFCCVEGCSA-N -1 0 349.477 3.860 20 0 EHADRM CCn1c(C)cc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c1C ZINC000630327951 975255604 /nfs/dbraw/zinc/25/56/04/975255604.db2.gz BFKHOHJFKQQGMT-DLBZAZTESA-N -1 0 326.396 3.565 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccccc2-c2cccs2)CC[C@H]1C(=O)[O-] ZINC000630557334 975266888 /nfs/dbraw/zinc/26/68/88/975266888.db2.gz DZPQXUVGXOVZNU-QWHCGFSZSA-N -1 0 344.436 3.990 20 0 EHADRM CCSc1cccc(F)c1NC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000630569210 975268587 /nfs/dbraw/zinc/26/85/87/975268587.db2.gz NEOGRBXUTVZJCS-MNOVXSKESA-N -1 0 340.420 3.512 20 0 EHADRM Cc1cc(C(F)(F)F)ccc1CNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000647164996 975357851 /nfs/dbraw/zinc/35/78/51/975357851.db2.gz UZYDTILNCPMMAX-NWDGAFQWSA-N -1 0 343.345 3.521 20 0 EHADRM O=C([O-])c1cccc(CN2CCO[C@H](c3c(F)cccc3Cl)C2)c1 ZINC000647377432 975358755 /nfs/dbraw/zinc/35/87/55/975358755.db2.gz JIUOBSFTYPJDKA-INIZCTEOSA-N -1 0 349.789 3.751 20 0 EHADRM CCCc1ccc(CCCC(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000647737177 975375601 /nfs/dbraw/zinc/37/56/01/975375601.db2.gz FMNLUTXSKGODCB-UHFFFAOYSA-N -1 0 329.396 3.569 20 0 EHADRM CC(C)c1ccccc1NC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000649536732 975422425 /nfs/dbraw/zinc/42/24/25/975422425.db2.gz DYRHKZXJIQSXJU-FQEVSTJZSA-N -1 0 340.423 3.974 20 0 EHADRM CC(C)O[C@H](c1nc(-c2cccc(C(=O)[O-])c2)no1)c1ccccc1 ZINC001591687160 975500627 /nfs/dbraw/zinc/50/06/27/975500627.db2.gz WMCLGOBAWIQVNU-INIZCTEOSA-N -1 0 338.363 3.949 20 0 EHADRM COc1ccc(C[C@@H]2CCCCN2C(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000652120689 975508146 /nfs/dbraw/zinc/50/81/46/975508146.db2.gz FRIRRMIJDJRZFD-INIZCTEOSA-N -1 0 347.455 3.510 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000652123396 975509868 /nfs/dbraw/zinc/50/98/68/975509868.db2.gz MCZAIBMMFGEJFH-UONOGXRCSA-N -1 0 347.411 3.532 20 0 EHADRM Cc1ccc(C[N@H+](CCOc2ccc(C(=O)[O-])cc2Cl)C2CC2)o1 ZINC000652387630 975517873 /nfs/dbraw/zinc/51/78/73/975517873.db2.gz DLXAMSGPOJYUJL-UHFFFAOYSA-N -1 0 349.814 3.983 20 0 EHADRM O=C([O-])[C@H](c1ccsc1)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000652434639 975530724 /nfs/dbraw/zinc/53/07/24/975530724.db2.gz AHEMWQGLICAWAO-DOMZBBRYSA-N -1 0 337.828 3.681 20 0 EHADRM C[C@@H](c1ncc(C(C)(C)C)o1)N1CCc2cccc(C(=O)[O-])c2C1 ZINC000652487997 975553920 /nfs/dbraw/zinc/55/39/20/975553920.db2.gz ZVJFGDASYJPGKQ-LBPRGKRZSA-N -1 0 328.412 3.790 20 0 EHADRM CCN(Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)[C@H]1CCCOC1 ZINC000652506944 975568606 /nfs/dbraw/zinc/56/86/06/975568606.db2.gz OZTUYMIUJWEEMY-INIZCTEOSA-N -1 0 346.452 3.509 20 0 EHADRM CC(C)[C@H](c1ccccc1)N(C)C(=O)c1cccc(CC(=O)[O-])c1 ZINC000653640772 975606360 /nfs/dbraw/zinc/60/63/60/975606360.db2.gz HEXTUHCDWYCXJE-LJQANCHMSA-N -1 0 325.408 3.783 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)Nc2cccc(F)c2Cl)CC1 ZINC000656603728 975665686 /nfs/dbraw/zinc/66/56/86/975665686.db2.gz WNCPFWGCIRLAIY-UHFFFAOYSA-N -1 0 328.771 3.588 20 0 EHADRM O=C([O-])[C@@H]1CCN(Cc2noc(C3CCCCC3)n2)[C@@H]2CCCC[C@@H]12 ZINC000656768567 975704184 /nfs/dbraw/zinc/70/41/84/975704184.db2.gz VTOVJNSUSMVIKE-ARFHVFGLSA-N -1 0 347.459 3.583 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC000659120303 975717040 /nfs/dbraw/zinc/71/70/40/975717040.db2.gz PPEIVCUAXGLVHW-CYBMUJFWSA-N -1 0 341.407 3.954 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)c1cc(C(=O)[O-])oc1C ZINC000659120063 975717400 /nfs/dbraw/zinc/71/74/00/975717400.db2.gz SUKFJWRUNYMNSF-UHFFFAOYSA-N -1 0 337.759 3.981 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000659122171 975721691 /nfs/dbraw/zinc/72/16/91/975721691.db2.gz BCCAJPYVNWEEHW-CYBMUJFWSA-N -1 0 345.420 3.541 20 0 EHADRM Cc1ccc(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)cc1OC(F)F ZINC000659123234 975722911 /nfs/dbraw/zinc/72/29/11/975722911.db2.gz WPWLXFPZJRPIQL-UHFFFAOYSA-N -1 0 339.338 3.570 20 0 EHADRM CC(C)Oc1c(NC(=O)[C@H](F)Cc2ccccc2)cccc1C(=O)[O-] ZINC001591740606 975739465 /nfs/dbraw/zinc/73/94/65/975739465.db2.gz AJJNOSVIGPMBDP-OAHLLOKOSA-N -1 0 345.370 3.691 20 0 EHADRM CC(C)Oc1c(NC(=O)[C@@H]2CCCCCC(=O)C2)cccc1C(=O)[O-] ZINC001591742136 975759379 /nfs/dbraw/zinc/75/93/79/975759379.db2.gz VGOKVLJFJKIDHU-CYBMUJFWSA-N -1 0 347.411 3.650 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)c1cc(C2CC2)nc2ccc(C)cc21)C(=O)[O-] ZINC000339363169 1014282860 /nfs/dbraw/zinc/28/28/60/1014282860.db2.gz SAUMVNSLWVKBGS-KPZWWZAWSA-N -1 0 340.423 3.650 20 0 EHADRM Cc1cscc1C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC000659181378 975775771 /nfs/dbraw/zinc/77/57/71/975775771.db2.gz GBRKQUCALXWXHD-AWEZNQCLSA-N -1 0 329.421 3.605 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000659192792 975791989 /nfs/dbraw/zinc/79/19/89/975791989.db2.gz OEOQDYNVMNXNAH-JYJNAYRXSA-N -1 0 335.831 3.754 20 0 EHADRM Cc1ccc2oc(C(=O)N3CC[C@H](C(=O)[O-])[C@@H]4CCCC[C@H]43)cc2c1 ZINC000659196036 975799593 /nfs/dbraw/zinc/79/95/93/975799593.db2.gz SFIAYDVGMMLMNO-HRCADAONSA-N -1 0 341.407 3.847 20 0 EHADRM O=C([O-])C[C@@H](CNC(=O)c1ccccc1Oc1ccccc1)C1CC1 ZINC000659205886 975814376 /nfs/dbraw/zinc/81/43/76/975814376.db2.gz WSBYDZPBOZGJSQ-HNNXBMFYSA-N -1 0 339.391 3.710 20 0 EHADRM CC(C)Oc1cc(Cl)c(C[N@@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1Cl ZINC001591755411 975818590 /nfs/dbraw/zinc/81/85/90/975818590.db2.gz JWFJTEHEGSKLMI-ZYHUDNBSSA-N -1 0 346.254 3.933 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)CC2CC(c3ccccc3)C2)c(F)c1 ZINC000659223700 975835488 /nfs/dbraw/zinc/83/54/88/975835488.db2.gz RGNOLNYOFGSNJC-UHFFFAOYSA-N -1 0 341.382 3.724 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N(C)C[C@H]1CC=CCC1 ZINC001591763394 975867955 /nfs/dbraw/zinc/86/79/55/975867955.db2.gz SHDXLRPUSQCBMX-AWEZNQCLSA-N -1 0 346.427 3.992 20 0 EHADRM COc1ccc2c(c1)C1(CC1)CN(Cc1ccc(C(=O)[O-])c(F)c1)C2 ZINC000659787658 975873444 /nfs/dbraw/zinc/87/34/44/975873444.db2.gz FBIDOEIVBPDHNA-UHFFFAOYSA-N -1 0 341.382 3.580 20 0 EHADRM Cc1nc2sc3c(c2c(N2CCC[C@H](CCC(=O)[O-])C2)n1)CCC3 ZINC000662887489 975910677 /nfs/dbraw/zinc/91/06/77/975910677.db2.gz JCEDYGHHTWPGQA-GFCCVEGCSA-N -1 0 345.468 3.570 20 0 EHADRM CSc1cc(C)c(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)o1 ZINC000663026663 975919090 /nfs/dbraw/zinc/91/90/90/975919090.db2.gz QDZYGCUEKDJTAY-AWEZNQCLSA-N -1 0 347.436 3.516 20 0 EHADRM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCCCC(=O)[O-] ZINC000666558527 975971930 /nfs/dbraw/zinc/97/19/30/975971930.db2.gz QEUBZCMYVHJBSS-SJORKVTESA-N -1 0 332.444 3.609 20 0 EHADRM Cc1cc(C)cc(CC(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000668271158 975979462 /nfs/dbraw/zinc/97/94/62/975979462.db2.gz XOKKAFYQVVJKMD-SFHVURJKSA-N -1 0 325.408 3.568 20 0 EHADRM CC[C@@](CNC(=O)c1ccsc1Cl)(C(=O)[O-])c1ccccc1 ZINC000668292632 975987555 /nfs/dbraw/zinc/98/75/55/975987555.db2.gz KXCHZRQPCLKEAG-INIZCTEOSA-N -1 0 337.828 3.564 20 0 EHADRM Cc1ccc([C@H]2C[C@H](C)N(C(=O)Cc3ccccc3C(=O)[O-])C2)cc1 ZINC000668300198 975991150 /nfs/dbraw/zinc/99/11/50/975991150.db2.gz DJAAMMGEIXSMRH-YJBOKZPZSA-N -1 0 337.419 3.640 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N[C@@H](C2CCCCC2)C(F)(F)F)CC1 ZINC000668301797 975991324 /nfs/dbraw/zinc/99/13/24/975991324.db2.gz RYSCHYMVXSHQFS-AVGNSLFASA-N -1 0 335.366 3.505 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)C2)cc1 ZINC000668300753 975991359 /nfs/dbraw/zinc/99/13/59/975991359.db2.gz VKJZBLAIQMOKRA-XOYOTBSWSA-N -1 0 329.440 3.590 20 0 EHADRM CN(C(=O)CCc1ccccc1C(=O)[O-])C(C)(C)c1ccccc1 ZINC000668326235 975999153 /nfs/dbraw/zinc/99/91/53/975999153.db2.gz RJRVOXLCOXAOGN-UHFFFAOYSA-N -1 0 325.408 3.711 20 0 EHADRM CC(C)Oc1ccccc1[C@H](C)NC(=O)c1ccsc1CC(=O)[O-] ZINC001591795765 976001294 /nfs/dbraw/zinc/00/12/94/976001294.db2.gz JTWLHNWZAJEVHB-LBPRGKRZSA-N -1 0 347.436 3.653 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000669435097 976001390 /nfs/dbraw/zinc/00/13/90/976001390.db2.gz TWFYHSGETNMSFX-WMZOPIPTSA-N -1 0 337.419 3.860 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)C[C@H]2CCc3ccccc3C2)c2ccccc21 ZINC000669436005 976004275 /nfs/dbraw/zinc/00/42/75/976004275.db2.gz WKTWTJIHQRIPOJ-KXBFYZLASA-N -1 0 349.430 3.787 20 0 EHADRM CC(C)Oc1ccccc1CC(=O)O[C@H](C)c1cc(C(=O)[O-])co1 ZINC001591801171 976015454 /nfs/dbraw/zinc/01/54/54/976015454.db2.gz KINFMRWCXWFCSD-GFCCVEGCSA-N -1 0 332.352 3.612 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)C[C@H]2CCCC[C@@H]2C)cc1 ZINC000678973959 976032588 /nfs/dbraw/zinc/03/25/88/976032588.db2.gz QPIRMRHJQPISHY-LXZKKBNFSA-N -1 0 333.428 3.544 20 0 EHADRM CCN(C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1)C(C)C ZINC000681572243 976065902 /nfs/dbraw/zinc/06/59/02/976065902.db2.gz IOXLMEIKNACSQY-INIZCTEOSA-N -1 0 334.460 3.940 20 0 EHADRM CC(C)Cc1ncc(CN[C@@H](C(=O)[O-])c2cc(F)ccc2F)s1 ZINC000683174658 976079503 /nfs/dbraw/zinc/07/95/03/976079503.db2.gz WFJVJQRIEOKFQN-OAHLLOKOSA-N -1 0 340.395 3.535 20 0 EHADRM CCCC[C@@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000035095756 1014319995 /nfs/dbraw/zinc/31/99/95/1014319995.db2.gz JHEIQIOZTRKOLV-GXFFZTMASA-N -1 0 329.849 3.580 20 0 EHADRM CC(C)c1cc(C(=O)Oc2ccccc2C(=O)[O-])nn1C(C)(C)C ZINC001591931495 976438659 /nfs/dbraw/zinc/43/86/59/976438659.db2.gz RHVALQBKSQODAS-UHFFFAOYSA-N -1 0 330.384 3.679 20 0 EHADRM CC(C)c1ccc(-c2ncc(COC(=O)C3(C(=O)[O-])CC3)s2)cc1 ZINC001591936080 976456888 /nfs/dbraw/zinc/45/68/88/976456888.db2.gz OVWKMFIKIWFUEQ-UHFFFAOYSA-N -1 0 345.420 3.842 20 0 EHADRM CC(C)c1ccc(C(=O)OCc2cccc(C(=O)[O-])c2Cl)nc1 ZINC001591947491 976490756 /nfs/dbraw/zinc/49/07/56/976490756.db2.gz LEIJYXMKPHRCDK-UHFFFAOYSA-N -1 0 333.771 3.914 20 0 EHADRM CC(C)c1ccc(CCC(=O)N(CCC(F)(F)F)CC(=O)[O-])cc1 ZINC001591952387 976510189 /nfs/dbraw/zinc/51/01/89/976510189.db2.gz BQYLERFJQMUFRA-UHFFFAOYSA-N -1 0 345.361 3.608 20 0 EHADRM CC(C)c1ccc(CC2CCN(c3ncncc3C(=O)[O-])CC2)cc1 ZINC001591952463 976510884 /nfs/dbraw/zinc/51/08/84/976510884.db2.gz GDWFUBMTSZNHFC-UHFFFAOYSA-N -1 0 339.439 3.757 20 0 EHADRM CC(C)c1ccc(NC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc1 ZINC001591965288 976557102 /nfs/dbraw/zinc/55/71/02/976557102.db2.gz JOSZIOYMXGUTGP-DNVCBOLYSA-N -1 0 330.428 3.919 20 0 EHADRM CC(C)c1ccc(NC(=O)N[C@](C)(CC(=O)[O-])c2ccccn2)cc1 ZINC001591965269 976557128 /nfs/dbraw/zinc/55/71/28/976557128.db2.gz JEPHUHXLQYPXAD-LJQANCHMSA-N -1 0 341.411 3.717 20 0 EHADRM CC(C)c1ccc(NC(=O)c2cnc3n2[C@@H](C)CCC3)c(C(=O)[O-])c1 ZINC001591969219 976569250 /nfs/dbraw/zinc/56/92/50/976569250.db2.gz ZBYAUEIMGPPBRC-LBPRGKRZSA-N -1 0 341.411 3.854 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1cccc(C(=O)[O-])n1)CCC2 ZINC001591981716 976598792 /nfs/dbraw/zinc/59/87/92/976598792.db2.gz ZIVVKIIVZCBJKG-INIZCTEOSA-N -1 0 338.407 3.711 20 0 EHADRM CC(C)c1cccc(C(=O)N[C@@H](C)[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC001591982724 976600268 /nfs/dbraw/zinc/60/02/68/976600268.db2.gz CAWCCVMGZMTKEW-KXBFYZLASA-N -1 0 339.435 3.872 20 0 EHADRM CC(C)c1nc(NC(=O)C(F)(F)c2ccccc2)sc1C(=O)[O-] ZINC001592021364 976714030 /nfs/dbraw/zinc/71/40/30/976714030.db2.gz CEFZICSDOCBLQH-UHFFFAOYSA-N -1 0 340.351 3.695 20 0 EHADRM CC(C)n1ccc(NC(=O)Nc2cccc(SCCC(=O)[O-])c2)n1 ZINC001592142812 976991688 /nfs/dbraw/zinc/99/16/88/976991688.db2.gz NWIVQYWXRXWCFR-UHFFFAOYSA-N -1 0 348.428 3.675 20 0 EHADRM CC(C)n1ncc(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)c1Cl ZINC001592157001 977032080 /nfs/dbraw/zinc/03/20/80/977032080.db2.gz BITHOLXAWYUOTP-JTQLQIEISA-N -1 0 336.775 3.734 20 0 EHADRM C[C@@H](/C=C/C(=O)[O-])NC(=O)c1c(F)cccc1Sc1ccccc1 ZINC001592201846 977209976 /nfs/dbraw/zinc/20/99/76/977209976.db2.gz QQJSNVLVGGSAFB-IIANPFDCSA-N -1 0 345.395 3.736 20 0 EHADRM C[C@H](CC(=O)N1C[C@@H](C(=O)[O-])Cc2ccccc21)C1CCCCC1 ZINC001592228154 977429071 /nfs/dbraw/zinc/42/90/71/977429071.db2.gz ZBFNTPJSXZFWMF-PBHICJAKSA-N -1 0 329.440 3.883 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)c1ccco1 ZINC001592270111 977534142 /nfs/dbraw/zinc/53/41/42/977534142.db2.gz PMESHGSESGYBDB-MRVPVSSYSA-N -1 0 325.723 3.903 20 0 EHADRM C[C@H](CC(=O)Nc1cccc(C(=O)[O-])n1)Cc1ccc(Cl)cc1 ZINC001592274731 977550650 /nfs/dbraw/zinc/55/06/50/977550650.db2.gz UKVAIUAQRSJHIX-NSHDSACASA-N -1 0 332.787 3.641 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)Nc1ccc(F)cc1C(F)(F)F)C1CC1 ZINC001592297753 977640251 /nfs/dbraw/zinc/64/02/51/977640251.db2.gz NZKXDQDYXBDKJN-CQSZACIVSA-N -1 0 348.296 3.609 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)c1cc(C(F)(F)F)ccc1Cl)C1CC1 ZINC001592305182 977670219 /nfs/dbraw/zinc/67/02/19/977670219.db2.gz YARIHMKLXSXWJH-CQSZACIVSA-N -1 0 349.736 3.732 20 0 EHADRM C[C@](CC(=O)[O-])(NCc1cc(Cl)sc1Cl)c1cccnc1 ZINC001592327389 977739746 /nfs/dbraw/zinc/73/97/46/977739746.db2.gz AGUKIVSFFXDIDA-CQSZACIVSA-N -1 0 345.251 3.930 20 0 EHADRM Nc1cccc(C(=S)Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1 ZINC001211489762 1014433476 /nfs/dbraw/zinc/43/34/76/1014433476.db2.gz GZXVUWWRISRKKM-UHFFFAOYSA-N -1 0 340.326 3.773 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N(Cc1cccs1)c1ccc(F)cc1 ZINC001592370671 977885480 /nfs/dbraw/zinc/88/54/80/977885480.db2.gz KHSIUPSXDTUMMM-LBPRGKRZSA-N -1 0 335.400 3.921 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1cccc(CSc2ccccn2)c1 ZINC001592394470 977945306 /nfs/dbraw/zinc/94/53/06/977945306.db2.gz GXERAFCIXGPNAY-CYBMUJFWSA-N -1 0 344.436 3.813 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)O[C@H]1CCOc2cc(Cl)cc(Cl)c21 ZINC001592394717 977946846 /nfs/dbraw/zinc/94/68/46/977946846.db2.gz DQFJCCFFCNPETO-KWQFWETISA-N -1 0 347.194 3.861 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Oc1ccc(Cl)c(Br)c1 ZINC001592401192 977966301 /nfs/dbraw/zinc/96/63/01/977966301.db2.gz ISJBMQYFQQALIH-SSDOTTSWSA-N -1 0 335.581 3.509 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Oc1cc(Cl)cc(Br)c1 ZINC001592402520 977969733 /nfs/dbraw/zinc/96/97/33/977969733.db2.gz PKNLFHCEXUBHIY-SSDOTTSWSA-N -1 0 335.581 3.509 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)OCc1cc(F)c(C(F)(F)F)c(F)c1 ZINC001592403281 977973583 /nfs/dbraw/zinc/97/35/83/977973583.db2.gz VPQMYJHHJPTNKH-ZETCQYMHSA-N -1 0 340.244 3.528 20 0 EHADRM C[C@H](CCC(=O)N(c1ncc(C(=O)[O-])s1)C1CC1)c1ccccc1 ZINC001592470715 978224333 /nfs/dbraw/zinc/22/43/33/978224333.db2.gz KVUHSIBEKKGZFZ-GFCCVEGCSA-N -1 0 344.436 3.921 20 0 EHADRM C[C@@H](CCC(=O)N[C@](C)(C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC001592471115 978229330 /nfs/dbraw/zinc/22/93/30/978229330.db2.gz PXYCLUCBCGVLFO-XOBRGWDASA-N -1 0 343.398 3.826 20 0 EHADRM CC[C@H](NC(=S)Nc1ccc(CC(=O)[O-])cc1)c1cccs1 ZINC000736919867 978366012 /nfs/dbraw/zinc/36/60/12/978366012.db2.gz KZVRGSFQPYMHQQ-ZDUSSCGKSA-N -1 0 334.466 3.813 20 0 EHADRM C[C@@H](CCc1ccc(Br)cc1)Nc1cc(C(=O)[O-])ccn1 ZINC001592537074 978409713 /nfs/dbraw/zinc/40/97/13/978409713.db2.gz CLALFAONTNANSK-NSHDSACASA-N -1 0 349.228 3.976 20 0 EHADRM COc1ccc2c(CC(=O)Oc3ccc(C)cc3C(=O)[O-])coc2c1 ZINC000738072746 978473580 /nfs/dbraw/zinc/47/35/80/978473580.db2.gz OIINJCAKISPURX-UHFFFAOYSA-N -1 0 340.331 3.596 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1ccnc2ccccc21)C(=O)[O-] ZINC001592606343 978554469 /nfs/dbraw/zinc/55/44/69/978554469.db2.gz YCPYASRCOBRQLQ-HNNXBMFYSA-N -1 0 348.402 3.598 20 0 EHADRM CC(C)c1ccc(O[C@H](C)CNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC001592648069 978630024 /nfs/dbraw/zinc/63/00/24/978630024.db2.gz XJDQUMZJAXKNRR-HYVNUMGLSA-N -1 0 347.455 3.585 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)Nc2ccccc2OCC2CC2)cc1 ZINC000739879674 978657745 /nfs/dbraw/zinc/65/77/45/978657745.db2.gz QCUFNFVIDKJRHQ-UHFFFAOYSA-N -1 0 340.379 3.747 20 0 EHADRM Cc1cc(/C=C\C(=O)NCCCC(=O)[O-])c(C)n1C1CCCCC1 ZINC000746337791 978682342 /nfs/dbraw/zinc/68/23/42/978682342.db2.gz CTAUDXXAKJIQHV-KHPPLWFESA-N -1 0 332.444 3.604 20 0 EHADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)/C=C/C1CCCCC1 ZINC000762239779 978719566 /nfs/dbraw/zinc/71/95/66/978719566.db2.gz XNIAJDDEIOTMKE-IYPOZPNPSA-N -1 0 329.440 3.715 20 0 EHADRM C/C(=C\C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000766827928 978725732 /nfs/dbraw/zinc/72/57/32/978725732.db2.gz MVEOILAZTSSHBV-HVJHFUJKSA-N -1 0 327.355 3.561 20 0 EHADRM Cc1cc2[nH]c(C(=O)N3CCc4cc(C(=O)[O-])ccc43)cc2c(C)c1 ZINC000766841011 978726009 /nfs/dbraw/zinc/72/60/09/978726009.db2.gz NYGUMIATJJFUNH-UHFFFAOYSA-N -1 0 334.375 3.686 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)N[C@](C)(CC)CC(=O)[O-] ZINC000767051489 978732118 /nfs/dbraw/zinc/73/21/18/978732118.db2.gz LBSPRAFIEVYMPJ-KZUGXZLUSA-N -1 0 333.428 3.637 20 0 EHADRM CC(C)(CNC(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC000767187492 978736480 /nfs/dbraw/zinc/73/64/80/978736480.db2.gz DZFIREASXHCVFG-NTMALXAHSA-N -1 0 347.411 3.794 20 0 EHADRM CCCCSCC(=O)N[C@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC000776655554 978767221 /nfs/dbraw/zinc/76/72/21/978767221.db2.gz QPSXAYFJBZITPF-CQSZACIVSA-N -1 0 341.498 3.574 20 0 EHADRM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(F)c2ccccc12 ZINC000820802523 978925901 /nfs/dbraw/zinc/92/59/01/978925901.db2.gz CAGLCIUZXRXOMA-IBGZPJMESA-N -1 0 349.361 3.631 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CCS1 ZINC000826741307 978948762 /nfs/dbraw/zinc/94/87/62/978948762.db2.gz BKSVICFRGVYUOT-ZDUSSCGKSA-N -1 0 342.848 3.644 20 0 EHADRM C[C@H](c1ccccc1)[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000827671570 978963303 /nfs/dbraw/zinc/96/33/03/978963303.db2.gz IJEVZYSDHSTPMD-RYUDHWBXSA-N -1 0 330.359 3.838 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC000827670971 978963358 /nfs/dbraw/zinc/96/33/58/978963358.db2.gz AALZVABIPJKLBB-VXGBXAGGSA-N -1 0 330.359 3.838 20 0 EHADRM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000828151008 978971496 /nfs/dbraw/zinc/97/14/96/978971496.db2.gz STYJIJQCRJIDSY-HOCLYGCPSA-N -1 0 338.407 3.870 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(C)c(Oc2ccncc2)c1 ZINC000828638304 978986406 /nfs/dbraw/zinc/98/64/06/978986406.db2.gz LUZRTDZBLMONHL-LJQANCHMSA-N -1 0 342.395 3.556 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)[C@H]2SCCc3ccccc32)cc1 ZINC000830507263 979019353 /nfs/dbraw/zinc/01/93/53/979019353.db2.gz GREJTDPYVLBVFD-INIZCTEOSA-N -1 0 342.420 3.770 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OC(=O)C[C@H](C)C(=O)c1cccc(F)c1 ZINC000832918290 979056066 /nfs/dbraw/zinc/05/60/66/979056066.db2.gz DKWBXPAQFBOKDV-LBPRGKRZSA-N -1 0 344.338 3.647 20 0 EHADRM Cc1ccc(/C=C\CC(=O)Nc2ccc(OCCC(=O)[O-])cc2)cc1 ZINC000832929215 979056826 /nfs/dbraw/zinc/05/68/26/979056826.db2.gz NMEPDHIVJYLXBN-IHWYPQMZSA-N -1 0 339.391 3.891 20 0 EHADRM O=C([O-])Nc1cc(C(=O)OC2(C3CC3)CC2)cc(C(F)(F)F)c1 ZINC000833283874 979139672 /nfs/dbraw/zinc/13/96/72/979139672.db2.gz OQXXPBPGAPCGEZ-UHFFFAOYSA-N -1 0 329.274 3.895 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NCc1ncc(Cl)cc1Cl)c1ccccc1 ZINC000833406159 979179714 /nfs/dbraw/zinc/17/97/14/979179714.db2.gz CVZUNZIFEAYGKQ-BONVTDFDSA-N -1 0 339.222 3.940 20 0 EHADRM CC[C@H](CC(=O)Nc1c2cccnc2n(C)c1C(=O)[O-])C(C)(C)C ZINC001595037226 979205107 /nfs/dbraw/zinc/20/51/07/979205107.db2.gz UPPCVQVBMMTAGR-LLVKDONJSA-N -1 0 331.416 3.672 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N2CCC[C@H](c3ccccc3)CC2)c1 ZINC000836739737 979250519 /nfs/dbraw/zinc/25/05/19/979250519.db2.gz BVSYAEVWNTZHNI-SFHVURJKSA-N -1 0 337.419 3.724 20 0 EHADRM CCCCCC[C@H](CC)C(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000836750927 979254376 /nfs/dbraw/zinc/25/43/76/979254376.db2.gz MKGVXDGZMUGXHQ-SWLSCSKDSA-N -1 0 337.382 3.849 20 0 EHADRM CC(C)(C)SCC(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000836754191 979260150 /nfs/dbraw/zinc/26/01/50/979260150.db2.gz CFZHQTIPVWLJCU-LBPRGKRZSA-N -1 0 349.374 3.636 20 0 EHADRM CCC(CC)(CC)C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC001595057825 979303898 /nfs/dbraw/zinc/30/38/98/979303898.db2.gz MJPOJKYRCWGIFX-LLVKDONJSA-N -1 0 325.380 3.833 20 0 EHADRM CC[C@H](CNC(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C)C(=O)[O-] ZINC000844158397 979349570 /nfs/dbraw/zinc/34/95/70/979349570.db2.gz OGVOSKAAGGGAEE-GDBMZVCRSA-N -1 0 342.439 3.555 20 0 EHADRM C[C@H]1[C@H](C(=O)[O-])CCN1c1ncnc2sc(-c3ccccc3)cc21 ZINC000844218399 979381747 /nfs/dbraw/zinc/38/17/47/979381747.db2.gz NINDRDMQJZJYHW-WCQYABFASA-N -1 0 339.420 3.658 20 0 EHADRM CCC(CC)(NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C)C(=O)[O-] ZINC001595092838 979387252 /nfs/dbraw/zinc/38/72/52/979387252.db2.gz HXHGLYREOYJVSD-CQSZACIVSA-N -1 0 335.444 3.645 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2sc(CC)nc2C)cc1C ZINC000547637313 1014573800 /nfs/dbraw/zinc/57/38/00/1014573800.db2.gz ZGBTYFWBOKFVRA-UHFFFAOYSA-N -1 0 340.470 3.522 20 0 EHADRM C[C@H](COc1ccccc1)OC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001592783115 979420851 /nfs/dbraw/zinc/42/08/51/979420851.db2.gz PPTFESGRXUNKRX-LLVKDONJSA-N -1 0 334.755 3.663 20 0 EHADRM CCC(CC)[C@H](C)C(=O)Nc1cc2c(cc1C(=O)[O-])OCCCO2 ZINC001595105333 979422315 /nfs/dbraw/zinc/42/23/15/979422315.db2.gz KENALFHHICEDHI-NSHDSACASA-N -1 0 335.400 3.557 20 0 EHADRM CCC(CC)[C@@H](C)C(=O)Nc1nc2nc(C)cc(C(=O)[O-])c2s1 ZINC001595106383 979431447 /nfs/dbraw/zinc/43/14/47/979431447.db2.gz LHYJERKIVBMXKS-SECBINFHSA-N -1 0 335.429 3.709 20 0 EHADRM O=C([O-])[C@@H](CC1CC1)NCc1oc2ccccc2c1Br ZINC000846782646 979466902 /nfs/dbraw/zinc/46/69/02/979466902.db2.gz VOAMHPUKAKVIFE-LLVKDONJSA-N -1 0 338.201 3.538 20 0 EHADRM CCC(CC)n1nc(C(=O)N(CC2CC2)[C@@](C)(CC)C(=O)[O-])cc1C ZINC001595124319 979503306 /nfs/dbraw/zinc/50/33/06/979503306.db2.gz ANWJAHIUXBFWGP-IBGZPJMESA-N -1 0 349.475 3.658 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)Nc2cccc(COCC3CC3)c2)o1 ZINC000851594075 979504278 /nfs/dbraw/zinc/50/42/78/979504278.db2.gz FTBWYWOXLPEYKG-VQHVLOKHSA-N -1 0 341.363 3.556 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(/C=C/C(=O)[O-])o2)[C@H](c2ccco2)C1 ZINC000851597448 979514151 /nfs/dbraw/zinc/51/41/51/979514151.db2.gz YFUJMHDSIVMCGH-FROLJDDGSA-N -1 0 329.352 3.584 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)NC2CCC3(CC3(F)F)CC2)c1 ZINC000851622087 979553960 /nfs/dbraw/zinc/55/39/60/979553960.db2.gz HPZVNEBGLYMEHZ-UHFFFAOYSA-N -1 0 343.757 3.736 20 0 EHADRM C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1CCC(C)(C)C(=O)[O-] ZINC000859797231 979633462 /nfs/dbraw/zinc/63/34/62/979633462.db2.gz SCZFWXGSQANVQN-SWLSCSKDSA-N -1 0 325.836 3.603 20 0 EHADRM CC[C@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1)Oc1cccc(C)c1 ZINC001595152594 979648604 /nfs/dbraw/zinc/64/86/04/979648604.db2.gz MMFFELKXLTTZMM-MRXNPFEDSA-N -1 0 342.395 3.672 20 0 EHADRM CC[C@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1OC)c1ccccc1 ZINC001595153366 979652784 /nfs/dbraw/zinc/65/27/84/979652784.db2.gz WXYBELOTQDLEAZ-CYBMUJFWSA-N -1 0 342.395 3.709 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N2CC[C@H](C)C3(CCC3)C2)cc1)C(=O)[O-] ZINC001592860273 979689671 /nfs/dbraw/zinc/68/96/71/979689671.db2.gz GWWXMBFHWOOEGO-GJZGRUSLSA-N -1 0 344.455 3.994 20 0 EHADRM CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000864104769 979691170 /nfs/dbraw/zinc/69/11/70/979691170.db2.gz SRFMNGZQEDHJEI-OAHLLOKOSA-N -1 0 329.421 3.904 20 0 EHADRM O=C([O-])c1coc(/C=C/C(=O)N2CCC[C@@H](c3ccccc3)CC2)c1 ZINC000864108275 979697347 /nfs/dbraw/zinc/69/73/47/979697347.db2.gz RNNZKGCNCGZJCM-ROJDOSBLSA-N -1 0 339.391 3.787 20 0 EHADRM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(C)c(C(=O)[O-])c2)s1 ZINC000864109555 979699588 /nfs/dbraw/zinc/69/95/88/979699588.db2.gz UJJRVHWJVCJRSK-LLVKDONJSA-N -1 0 332.425 3.600 20 0 EHADRM Cc1ccccc1C1CCN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)CC1 ZINC000864109052 979699694 /nfs/dbraw/zinc/69/96/94/979699694.db2.gz MPROLOOZZYYZPE-CLFYSBASSA-N -1 0 339.391 3.706 20 0 EHADRM Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(C)c(C(=O)[O-])c2)s1 ZINC000864109556 979699785 /nfs/dbraw/zinc/69/97/85/979699785.db2.gz UJJRVHWJVCJRSK-NSHDSACASA-N -1 0 332.425 3.600 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2cc3c(cccc3C3CC3)[nH]2)CC1 ZINC000864131517 979733545 /nfs/dbraw/zinc/73/35/45/979733545.db2.gz XJHWEUYYJUMRDS-UHFFFAOYSA-N -1 0 340.423 3.762 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000864133077 979735229 /nfs/dbraw/zinc/73/52/29/979735229.db2.gz YTPAKVXJXRTGSL-GHTZIAJQSA-N -1 0 345.483 3.995 20 0 EHADRM Cc1cc2c(CC(=O)N3CCCC[C@H]3CC(=O)[O-])csc2s1 ZINC000864133594 979735284 /nfs/dbraw/zinc/73/52/84/979735284.db2.gz UINCRMHGVHZSEN-LBPRGKRZSA-N -1 0 337.466 3.670 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cnn(C(C)C)c1Cl ZINC000864134709 979736587 /nfs/dbraw/zinc/73/65/87/979736587.db2.gz BFDNHACOHHIZAN-UHFFFAOYSA-N -1 0 335.791 3.685 20 0 EHADRM C[C@H](Cc1ccc(NC[C@H](O)c2cccc(Cl)c2)cc1)C(=O)[O-] ZINC001592876589 979740316 /nfs/dbraw/zinc/74/03/16/979740316.db2.gz AWPWMDHHTHGSGK-PXAZEXFGSA-N -1 0 333.815 3.749 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)Nc2cccc3c2CCO3)cc1)C(=O)[O-] ZINC001592874349 979740547 /nfs/dbraw/zinc/74/05/47/979740547.db2.gz ZVTPPSCOTKHLCH-GFCCVEGCSA-N -1 0 340.379 3.529 20 0 EHADRM CCC(CC)(NC(=O)/C=C\c1csc(C(F)(F)F)c1)C(=O)[O-] ZINC000864139200 979742780 /nfs/dbraw/zinc/74/27/80/979742780.db2.gz IUDBHHHNZUVNHB-WAYWQWQTSA-N -1 0 335.347 3.540 20 0 EHADRM C[C@H](Cc1ccc(NC(=S)N[C@H]2CCCC[C@@H]2C)cc1)C(=O)[O-] ZINC001592878141 979747735 /nfs/dbraw/zinc/74/77/35/979747735.db2.gz VANOSAKUPBBCIR-ZENOOKHLSA-N -1 0 334.485 3.815 20 0 EHADRM C[C@H](Cc1ccc(NCc2noc(-c3ccccc3)n2)cc1)C(=O)[O-] ZINC001592881966 979750780 /nfs/dbraw/zinc/75/07/80/979750780.db2.gz CUVJWNASIKHDMS-CYBMUJFWSA-N -1 0 337.379 3.612 20 0 EHADRM C[C@@H](Cc1ccc(Nc2ncnc3ccc(F)cc32)cc1)C(=O)[O-] ZINC001592883122 979757512 /nfs/dbraw/zinc/75/75/12/979757512.db2.gz MHBAUUGAPQDSLD-NSHDSACASA-N -1 0 325.343 3.776 20 0 EHADRM Cc1ccc(C(=O)N2CCc3ccc(F)cc3[C@@H](C)C2)cc1C(=O)[O-] ZINC000864152086 979762976 /nfs/dbraw/zinc/76/29/76/979762976.db2.gz XXGJCURAYVFCOU-ZDUSSCGKSA-N -1 0 341.382 3.634 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)/C=C\c3cc(C(=O)[O-])co3)C2)cc1 ZINC000864157247 979769338 /nfs/dbraw/zinc/76/93/38/979769338.db2.gz ITOPDVLBDYACLF-LOWICHSDSA-N -1 0 339.391 3.704 20 0 EHADRM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000864157975 979770163 /nfs/dbraw/zinc/77/01/63/979770163.db2.gz XCHYNCRGAAOTCU-SFHVURJKSA-N -1 0 341.407 3.925 20 0 EHADRM O=C([O-])c1c[nH]c2cc(NC(=O)C3([C@H]4CCCCO4)CCC3)ccc21 ZINC000864160330 979775687 /nfs/dbraw/zinc/77/56/87/979775687.db2.gz AFNQHLALEAEOIX-MRXNPFEDSA-N -1 0 342.395 3.544 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)Nc1cccc(C(=O)[O-])c1Cl ZINC001592896038 979793870 /nfs/dbraw/zinc/79/38/70/979793870.db2.gz DHNTZNONAFOLTO-SNVBAGLBSA-N -1 0 335.762 3.995 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000864178204 979823831 /nfs/dbraw/zinc/82/38/31/979823831.db2.gz ZFGRQBHXGVAGNL-COTBVSBHSA-N -1 0 339.391 3.784 20 0 EHADRM Cc1cc(CNC(=O)CCc2ccc(C(C)(C)C)cc2)oc1C(=O)[O-] ZINC000864189074 979838624 /nfs/dbraw/zinc/83/86/24/979838624.db2.gz ISKNXOBTSTZNOX-UHFFFAOYSA-N -1 0 343.423 3.833 20 0 EHADRM CC(C)[C@H](C(=O)NCc1cc(C(=O)[O-])co1)c1cccc(Cl)c1 ZINC000864191617 979846569 /nfs/dbraw/zinc/84/65/69/979846569.db2.gz LIYXDMMPIFPZRB-HNNXBMFYSA-N -1 0 335.787 3.687 20 0 EHADRM Cc1ccc(C)c(OCCCCC(=O)N[C@](C)(CC(=O)[O-])C2CC2)c1 ZINC000864198097 979868108 /nfs/dbraw/zinc/86/81/08/979868108.db2.gz CUQRJWUUVUEAOJ-HXUWFJFHSA-N -1 0 347.455 3.612 20 0 EHADRM C[C@H](Cc1noc(C23CCC(C(=O)[O-])(CC2)C3)n1)c1ccccc1 ZINC001592912290 979878105 /nfs/dbraw/zinc/87/81/05/979878105.db2.gz HEDLYZIYRIGDPI-XYJCDUHRSA-N -1 0 326.396 3.702 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)CCc1ccc(F)c2ccccc12)C1CC1 ZINC000864201288 979879496 /nfs/dbraw/zinc/87/94/96/979879496.db2.gz QXCZJDKJGSSJRT-HXUWFJFHSA-N -1 0 343.398 3.671 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)NCC2(c3cccc(Cl)c3)CCC2)C1 ZINC000864217497 979906133 /nfs/dbraw/zinc/90/61/33/979906133.db2.gz YIUUGHUJONTABC-KBPBESRZSA-N -1 0 349.858 3.769 20 0 EHADRM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC000864224716 979909845 /nfs/dbraw/zinc/90/98/45/979909845.db2.gz GOZROWODVWQMLU-UZTWBRENSA-N -1 0 327.380 3.536 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2C[C@H]2c2ccccc2C)c1 ZINC000864230873 979929011 /nfs/dbraw/zinc/92/90/11/979929011.db2.gz CCIWMNPIMILIJW-OTWHNJEPSA-N -1 0 337.419 3.739 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(SC(F)F)cc2)CC[C@H]1C(=O)[O-] ZINC000864586092 979945732 /nfs/dbraw/zinc/94/57/32/979945732.db2.gz OVZZJTCYKSUXIC-JOYOIKCWSA-N -1 0 344.383 3.576 20 0 EHADRM CC[C@H](CSc1ccccc1)NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001595203703 979967641 /nfs/dbraw/zinc/96/76/41/979967641.db2.gz SFPRBRPZGUHRJR-PRWOLLLXSA-N -1 0 345.420 3.678 20 0 EHADRM CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@](C)(CC)C(=O)[O-] ZINC001595205096 979979345 /nfs/dbraw/zinc/97/93/45/979979345.db2.gz PWWUYQPDNPLVOR-LRDDRELGSA-N -1 0 345.361 3.644 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001595210442 979984221 /nfs/dbraw/zinc/98/42/21/979984221.db2.gz GRMAEKCQSOKJTL-LJQANCHMSA-N -1 0 339.435 3.507 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC001595211380 979991752 /nfs/dbraw/zinc/99/17/52/979991752.db2.gz TUSMDHYMZKDESG-WMZOPIPTSA-N -1 0 337.419 3.779 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC001595211375 979991888 /nfs/dbraw/zinc/99/18/88/979991888.db2.gz TUSMDHYMZKDESG-AEFFLSMTSA-N -1 0 337.419 3.779 20 0 EHADRM CC(F)(F)c1ccc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)cc1 ZINC001592943976 980018287 /nfs/dbraw/zinc/01/82/87/980018287.db2.gz SCIYORXSVZQVAT-UHFFFAOYSA-N -1 0 331.318 3.699 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC001595219485 980040456 /nfs/dbraw/zinc/04/04/56/980040456.db2.gz PFKCETCCLAIHOS-CRAIPNDOSA-N -1 0 325.408 3.506 20 0 EHADRM CCC(F)(F)C(C)(C)CNC(=O)Nc1cnc(C(=O)[O-])c(Cl)c1 ZINC001595221287 980051007 /nfs/dbraw/zinc/05/10/07/980051007.db2.gz BQHLELUVDFKHCL-UHFFFAOYSA-N -1 0 349.765 3.626 20 0 EHADRM CCC(F)(F)c1ccccc1NC(=O)NC1CC(CC(=O)[O-])C1 ZINC001595226322 980075609 /nfs/dbraw/zinc/07/56/09/980075609.db2.gz SGHTUJRWWSRKRN-UHFFFAOYSA-N -1 0 326.343 3.563 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2noc3c2CC(C)(C)CC3)cc1 ZINC000872730297 980120923 /nfs/dbraw/zinc/12/09/23/980120923.db2.gz JLUOMRPLZSKOHC-NSHDSACASA-N -1 0 342.395 3.630 20 0 EHADRM CC[C@H](NC(=O)N1CCC[C@](C)(C(=O)[O-])C1)c1ccc(Cl)s1 ZINC001595247222 980189163 /nfs/dbraw/zinc/18/91/63/980189163.db2.gz JYVUYKHXTSWPJY-BONVTDFDSA-N -1 0 344.864 3.749 20 0 EHADRM CC[C@@H](NC(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001595250684 980208990 /nfs/dbraw/zinc/20/89/90/980208990.db2.gz UZSFSCDETDBOSS-KHIZAZIESA-N -1 0 338.835 3.543 20 0 EHADRM C[C@@H](NC(=O)C12CCC(CC1)C2(C)C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001592999351 980212573 /nfs/dbraw/zinc/21/25/73/980212573.db2.gz YCJLYJRAMHBYFN-PYXVISIKSA-N -1 0 343.467 3.651 20 0 EHADRM CC[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccc(OC)cc1 ZINC001595251782 980213566 /nfs/dbraw/zinc/21/35/66/980213566.db2.gz DLZUOMUGJOEWPB-OAHLLOKOSA-N -1 0 346.358 3.805 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)C[C@@H]2CCC3(CCC3)CO2)cc1 ZINC000887325230 980215974 /nfs/dbraw/zinc/21/59/74/980215974.db2.gz JVQDYOZGZRHCTI-CJNGLKHVSA-N -1 0 331.412 3.553 20 0 EHADRM CC(C)(CC(=O)Nc1ccc(CC(=O)[O-])c(F)c1)CC(F)(F)F ZINC000887325343 980216044 /nfs/dbraw/zinc/21/60/44/980216044.db2.gz MTEYGNQAODJNBQ-UHFFFAOYSA-N -1 0 335.297 3.760 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(C(=O)[O-])cn1)c1ccc(Cl)s1 ZINC001595256691 980239373 /nfs/dbraw/zinc/23/93/73/980239373.db2.gz GIUCHLNWKKUJTA-VIFPVBQESA-N -1 0 339.804 3.768 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F)[C@H]1CC1(C)C ZINC001595257320 980245166 /nfs/dbraw/zinc/24/51/66/980245166.db2.gz RBMMILILUZHDBA-SCZZXKLOSA-N -1 0 326.343 3.609 20 0 EHADRM O=C([O-])c1ncc(-c2ccc([C@@H]3CC(F)(F)C3(F)F)cc2)cn1 ZINC000901102777 980259345 /nfs/dbraw/zinc/25/93/45/980259345.db2.gz XPQXPZOPEJFHFL-NSHDSACASA-N -1 0 326.249 3.600 20 0 EHADRM CCc1oc(CN2CCSC[C@H]2c2ccccc2)cc1C(=O)[O-] ZINC000901418330 980266267 /nfs/dbraw/zinc/26/62/67/980266267.db2.gz ZLIRZUHSLCSJHM-INIZCTEOSA-N -1 0 331.437 3.830 20 0 EHADRM CC[C@@](NC(=O)c1cc(NC)ccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001595264977 980272835 /nfs/dbraw/zinc/27/28/35/980272835.db2.gz HCKAPNUMXNUHNE-SFHVURJKSA-N -1 0 346.814 3.502 20 0 EHADRM CC[C@H](NC(=O)c1ccc(-c2ccccc2C(F)(F)F)o1)C(=O)[O-] ZINC001595265746 980276439 /nfs/dbraw/zinc/27/64/39/980276439.db2.gz BGIDQMMHAHVPGC-NSHDSACASA-N -1 0 341.285 3.558 20 0 EHADRM CC[C@@](NC(=O)c1ccc(C)c2cccnc12)(C(=O)[O-])c1ccccc1 ZINC001595269252 980284723 /nfs/dbraw/zinc/28/47/23/980284723.db2.gz VVDCMGAVAXDRSY-NRFANRHFSA-N -1 0 348.402 3.663 20 0 EHADRM CC[C@@](NC(=O)c1cccc2cc(O)ccc21)(C(=O)[O-])c1ccccc1 ZINC001595270750 980286924 /nfs/dbraw/zinc/28/69/24/980286924.db2.gz PHEMAGDHIVBFCP-NRFANRHFSA-N -1 0 349.386 3.665 20 0 EHADRM Cc1nc(C(C)C)sc1[C@H](C)N(C)Cc1cccc(C(=O)[O-])n1 ZINC000901439576 980288250 /nfs/dbraw/zinc/28/82/50/980288250.db2.gz UDWYCOFRPPQKRK-LBPRGKRZSA-N -1 0 333.457 3.861 20 0 EHADRM CCN(CC)C(=O)c1ccc(NC2CCC(CC(=O)[O-])CC2)cc1 ZINC000901463944 980298415 /nfs/dbraw/zinc/29/84/15/980298415.db2.gz CPZVKOCAAKNVGT-UHFFFAOYSA-N -1 0 332.444 3.614 20 0 EHADRM CC[C@H](N[C@@H](C(=O)[O-])c1ccsc1)c1cccc(OC)c1OC ZINC001595277047 980304670 /nfs/dbraw/zinc/30/46/70/980304670.db2.gz PJXQMIQSEQHQTK-DZGCQCFKSA-N -1 0 335.425 3.632 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(N[C@H]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000901513626 980329549 /nfs/dbraw/zinc/32/95/49/980329549.db2.gz OXBRUSGLZUBAQI-QWHCGFSZSA-N -1 0 331.334 3.571 20 0 EHADRM O=C([O-])Cc1ccc(CN[C@@H](CCc2ccccc2)C(F)F)cc1 ZINC000901540511 980368735 /nfs/dbraw/zinc/36/87/35/980368735.db2.gz NVTIHVBQHXCJRK-KRWDZBQOSA-N -1 0 333.378 3.670 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC2CCC(C(F)(F)F)CC2)c1OC ZINC000901710045 980460330 /nfs/dbraw/zinc/46/03/30/980460330.db2.gz FVLSIXNPIVKJKH-UHFFFAOYSA-N -1 0 347.333 3.935 20 0 EHADRM C[C@H](Cc1ccc(NCc2c(C3CCC3)cnn2C)cc1)C(=O)[O-] ZINC000901735314 980471215 /nfs/dbraw/zinc/47/12/15/980471215.db2.gz QRQLOHGFEIJRSA-CYBMUJFWSA-N -1 0 327.428 3.563 20 0 EHADRM COc1cc(CNc2cccc([C@@H](C)C(=O)[O-])c2)cc(OC)c1OC ZINC000901815046 980536150 /nfs/dbraw/zinc/53/61/50/980536150.db2.gz IHYNEBCYONDGDI-GFCCVEGCSA-N -1 0 345.395 3.513 20 0 EHADRM Cc1ccc([C@@H](NCc2cnc([C@H]3CCCO3)s2)C(=O)[O-])cc1C ZINC000901852120 980577944 /nfs/dbraw/zinc/57/79/44/980577944.db2.gz XLQSFDKVGPCTQN-HZPDHXFCSA-N -1 0 346.452 3.527 20 0 EHADRM CC[C@@H](OC(=O)c1ccccc1C(=O)c1ccc(C)c(C)c1)C(=O)[O-] ZINC001595351671 980659635 /nfs/dbraw/zinc/65/96/35/980659635.db2.gz JDZDPDPNYYBNCO-QGZVFWFLSA-N -1 0 340.375 3.554 20 0 EHADRM CC[C@H](OC(=O)c1sc(-c2ccc(C)cc2C)nc1C)C(=O)[O-] ZINC001595353915 980686522 /nfs/dbraw/zinc/68/65/22/980686522.db2.gz LYFBUJZYTCUUHR-ZDUSSCGKSA-N -1 0 333.409 3.755 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC001595354599 980693999 /nfs/dbraw/zinc/69/39/99/980693999.db2.gz AATRZNPFRKZFNL-RGQDEETRSA-N -1 0 339.476 3.510 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001595354959 980697610 /nfs/dbraw/zinc/69/76/10/980697610.db2.gz JMKBPQGYRWEEBV-INWMFGNUSA-N -1 0 349.427 3.706 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-] ZINC001595355607 980703719 /nfs/dbraw/zinc/70/37/19/980703719.db2.gz GERDNWGLADBRJN-ZDUSSCGKSA-N -1 0 343.782 3.854 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)Nc1ccc(OC(C)C)cc1C(=O)[O-] ZINC001595355739 980705097 /nfs/dbraw/zinc/70/50/97/980705097.db2.gz LFISZQBJFJNYAL-QGZVFWFLSA-N -1 0 349.427 3.848 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001595356810 980715986 /nfs/dbraw/zinc/71/59/86/980715986.db2.gz NZWWOESLOGDYNR-INIZCTEOSA-N -1 0 345.370 3.937 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC001595356957 980717336 /nfs/dbraw/zinc/71/73/36/980717336.db2.gz OQUXMRPIOYNFFP-INIZCTEOSA-N -1 0 346.354 3.524 20 0 EHADRM CCc1oc(CN(C)Cc2nc3ccccc3s2)cc1C(=O)[O-] ZINC000902083608 980725096 /nfs/dbraw/zinc/72/50/96/980725096.db2.gz OFDXSQXUTOVBSL-UHFFFAOYSA-N -1 0 330.409 3.782 20 0 EHADRM CC[C@H](Oc1ccccc1F)c1nc(-c2cc(C(=O)[O-])co2)no1 ZINC001595357987 980727877 /nfs/dbraw/zinc/72/78/77/980727877.db2.gz XCEXVIUDLYNOAY-NSHDSACASA-N -1 0 332.287 3.697 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001595359299 980740323 /nfs/dbraw/zinc/74/03/23/980740323.db2.gz WOFXVIQAUWIMPS-DOTOQJQBSA-N -1 0 349.496 3.955 20 0 EHADRM CCc1oc(CN(CC)Cc2ccc(OC)cc2OC)cc1C(=O)[O-] ZINC000902132851 980750941 /nfs/dbraw/zinc/75/09/41/980750941.db2.gz SYHYFOGGSCCMAI-UHFFFAOYSA-N -1 0 347.411 3.580 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1csc(C(C)C)n1 ZINC001595360462 980752098 /nfs/dbraw/zinc/75/20/98/980752098.db2.gz HQPLIGKSJULWTB-OAHLLOKOSA-N -1 0 346.452 3.945 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cc(C)ccc1F ZINC001595361587 980763124 /nfs/dbraw/zinc/76/31/24/980763124.db2.gz JWIPAXSXULIGSR-KRWDZBQOSA-N -1 0 329.371 3.812 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@@H]1CC2CCC1CC2 ZINC001595361981 980767237 /nfs/dbraw/zinc/76/72/37/980767237.db2.gz STEZIUOWAKWKAQ-NANBGGJNSA-N -1 0 329.440 3.877 20 0 EHADRM CC[C@H](c1ccccc1)N(CC)S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001595363125 980778504 /nfs/dbraw/zinc/77/85/04/980778504.db2.gz BIEYOBHHVLCNSW-MRXNPFEDSA-N -1 0 347.436 3.547 20 0 EHADRM CC[C@@H](c1ccncc1)N(CC)C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001595364323 980792153 /nfs/dbraw/zinc/79/21/53/980792153.db2.gz TWNDHYKKHMPFLI-INIZCTEOSA-N -1 0 330.359 3.532 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC)C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001595364448 980793539 /nfs/dbraw/zinc/79/35/39/980793539.db2.gz RYGNPNYYFJFGFX-MQNTZWLQSA-N -1 0 327.380 3.991 20 0 EHADRM CCC1(C(=O)Nc2cccc3cc(C(=O)[O-])sc32)CCOCC1 ZINC001595367962 980821328 /nfs/dbraw/zinc/82/13/28/980821328.db2.gz NEFLLAXFQCSABT-UHFFFAOYSA-N -1 0 333.409 3.745 20 0 EHADRM CCC1(C(=O)Nc2ccc(C(=O)[O-])c(O)c2)CCC(F)(F)CC1 ZINC001595368122 980822763 /nfs/dbraw/zinc/82/27/63/980822763.db2.gz WPMTUULBSRIUAR-UHFFFAOYSA-N -1 0 327.327 3.635 20 0 EHADRM CCC1(CC)[C@@H](Nc2cc(C(F)(F)F)c(C(=O)[O-])cn2)C[C@@H]1OC ZINC001595373649 980875249 /nfs/dbraw/zinc/87/52/49/980875249.db2.gz NCASRMIJIHPKTJ-RYUDHWBXSA-N -1 0 346.349 3.804 20 0 EHADRM O=C([O-])c1ccc(-c2ccc(CNC3(c4ncccn4)CCC3)o2)cc1 ZINC000902456731 980895811 /nfs/dbraw/zinc/89/58/11/980895811.db2.gz KLHQKQXSYZGHCE-UHFFFAOYSA-N -1 0 349.390 3.604 20 0 EHADRM Cc1oc(CN[C@@H]2CC(C)(C)Oc3ccc(F)cc32)cc1C(=O)[O-] ZINC000902470062 980902189 /nfs/dbraw/zinc/90/21/89/980902189.db2.gz FRCMPNMEQKSPIJ-OAHLLOKOSA-N -1 0 333.359 3.817 20 0 EHADRM CC(C)C[C@@H]1COCCN1Cc1ccc(C(=O)[O-])cc1C(F)(F)F ZINC000902516797 980917416 /nfs/dbraw/zinc/91/74/16/980917416.db2.gz LHJCHJQUGSBNBI-CQSZACIVSA-N -1 0 345.361 3.651 20 0 EHADRM CCC1(c2ccc(Cl)cc2)CCN(c2ncc(C(=O)[O-])cn2)CC1 ZINC001595397920 980967441 /nfs/dbraw/zinc/96/74/41/980967441.db2.gz ZKADAXQLQUZKIO-UHFFFAOYSA-N -1 0 345.830 3.776 20 0 EHADRM O=C([O-])c1cccc(CN2CCS[C@H](C(F)(F)F)C2)c1Cl ZINC000903629385 981004937 /nfs/dbraw/zinc/00/49/37/981004937.db2.gz DERWANIFGMDZRX-JTQLQIEISA-N -1 0 339.766 3.518 20 0 EHADRM CC[C@H]1C[C@H](CC(=O)N2CCCc3ccc(C)c(C(=O)[O-])c32)CCO1 ZINC001595409326 981007467 /nfs/dbraw/zinc/00/74/67/981007467.db2.gz WDRCEKLBEWGPCT-ZBFHGGJFSA-N -1 0 345.439 3.568 20 0 EHADRM O=C([O-])c1ccc(Br)c(C[N@@H+]2CCC[C@H](CCF)C2)c1 ZINC000903906531 981031155 /nfs/dbraw/zinc/03/11/55/981031155.db2.gz KHJRDOPDRZJAKS-LLVKDONJSA-N -1 0 344.224 3.719 20 0 EHADRM CCC1CCC(NC(=O)[C@H](C)Cc2cccc(F)c2)(C(=O)[O-])CC1 ZINC001595420299 981034295 /nfs/dbraw/zinc/03/42/95/981034295.db2.gz BTGLMTTZRYPPFH-VFPJAPOESA-N -1 0 335.419 3.544 20 0 EHADRM CCC1CCC(NC(=O)CCc2cccc(Cl)c2)(C(=O)[O-])CC1 ZINC001595420919 981039551 /nfs/dbraw/zinc/03/95/51/981039551.db2.gz PUVDREXWJZLMGZ-UHFFFAOYSA-N -1 0 337.847 3.812 20 0 EHADRM CCC1CCC(NC(=O)Cc2cccc(C3CC3)c2)(C(=O)[O-])CC1 ZINC001595422023 981040993 /nfs/dbraw/zinc/04/09/93/981040993.db2.gz FZILZPFEXIZMKQ-UHFFFAOYSA-N -1 0 329.440 3.646 20 0 EHADRM CC[C@H]1CC[C@H]1Nc1cc(I)cc(C(=O)[O-])c1 ZINC001595431574 981053118 /nfs/dbraw/zinc/05/31/18/981053118.db2.gz WWSSJCJOQRIKNH-QPUJVOFHSA-N -1 0 345.180 3.590 20 0 EHADRM CC[C@H]1CCC[C@@]1(C)C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001595435164 981063222 /nfs/dbraw/zinc/06/32/22/981063222.db2.gz HGJMEMYGKSYMJQ-TVKQPGBESA-N -1 0 329.440 3.530 20 0 EHADRM CSc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccsc2)cc1C(=O)[O-] ZINC000905043782 981086692 /nfs/dbraw/zinc/08/66/92/981086692.db2.gz KIQSWOWBSOIRNZ-NWDGAFQWSA-N -1 0 333.434 3.910 20 0 EHADRM CC[C@@H](CNC(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1)C(=O)[O-] ZINC000905054763 981087490 /nfs/dbraw/zinc/08/74/90/981087490.db2.gz CEAUYSRWLHPCDM-JTQLQIEISA-N -1 0 346.349 3.759 20 0 EHADRM CC[C@H](CNC(=O)Nc1cccc(-c2ccccc2OC)c1)C(=O)[O-] ZINC000905054433 981087742 /nfs/dbraw/zinc/08/77/42/981087742.db2.gz NKFPCFJOORNOKT-CYBMUJFWSA-N -1 0 342.395 3.595 20 0 EHADRM CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001595444352 981087720 /nfs/dbraw/zinc/08/77/20/981087720.db2.gz NOGXOWHYULNCLW-NHYWBVRUSA-N -1 0 329.400 3.956 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1N(C)C(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC001595445091 981091325 /nfs/dbraw/zinc/09/13/25/981091325.db2.gz VVPMTVSQHGCBON-ZBFHGGJFSA-N -1 0 348.443 3.504 20 0 EHADRM CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1scc(C(=O)[O-])c1C ZINC001595448047 981096860 /nfs/dbraw/zinc/09/68/60/981096860.db2.gz LAZGGCCPBNHVCW-AAEUAGOBSA-N -1 0 325.430 3.679 20 0 EHADRM CCC(CC)n1ccc(CN[C@H](C(=O)[O-])c2ccc(F)c(C)c2)n1 ZINC000905386429 981105965 /nfs/dbraw/zinc/10/59/65/981105965.db2.gz RVHJXUQZWZVDCB-KRWDZBQOSA-N -1 0 333.407 3.607 20 0 EHADRM CC[C@H]1CCCCN1C(=O)[C@H](C)SCc1ccccc1C(=O)[O-] ZINC001595451319 981107410 /nfs/dbraw/zinc/10/74/10/981107410.db2.gz NUCQCTOBLGYBQQ-ZFWWWQNUSA-N -1 0 335.469 3.798 20 0 EHADRM CC[C@H]1CCCN(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)C1 ZINC001595453386 981118775 /nfs/dbraw/zinc/11/87/75/981118775.db2.gz PIKBKINMGIILLN-VIFPVBQESA-N -1 0 328.771 3.831 20 0 EHADRM CC1(C)CC2(CC(Nc3cc(C(=O)[O-])cc4cccnc43)C2)CO1 ZINC000905759986 981145961 /nfs/dbraw/zinc/14/59/61/981145961.db2.gz OMCQXSHZCRVJOY-UHFFFAOYSA-N -1 0 326.396 3.693 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CN[C@H](C)c1cc(Cl)cc2c1OCC2 ZINC000905769102 981146869 /nfs/dbraw/zinc/14/68/69/981146869.db2.gz BSGKYIPEGDRQMX-SECBINFHSA-N -1 0 335.787 3.725 20 0 EHADRM Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000588592540 1032102719 /nfs/dbraw/zinc/10/27/19/1032102719.db2.gz QGMKDELZNSFLLO-DHHDDZJSSA-N -1 0 328.368 3.522 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cc(F)cc3ccoc32)C1 ZINC000907625872 981201539 /nfs/dbraw/zinc/20/15/39/981201539.db2.gz CRMSJRGLJBMRGP-GFCCVEGCSA-N -1 0 333.359 3.535 20 0 EHADRM O=C([O-])c1cccc2c1CCN2C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000907976324 981248513 /nfs/dbraw/zinc/24/85/13/981248513.db2.gz HSJMYSVDCZKQOU-GHMZBOCLSA-N -1 0 341.329 3.643 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N[C@H]1CCC[C@@H](c2ccccc2)CC1 ZINC000907991980 981251768 /nfs/dbraw/zinc/25/17/68/981251768.db2.gz VRJWUQKYXTVEFS-CVEARBPZSA-N -1 0 341.407 3.753 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)c1cccc(CC(=O)[O-])c1)C(C)(C)C ZINC000908118856 981266241 /nfs/dbraw/zinc/26/62/41/981266241.db2.gz GFFSOPCNDKCMNR-GOSISDBHSA-N -1 0 340.423 3.534 20 0 EHADRM Cc1cc(C(=O)N[C@H](c2ncccc2C)C(C)(C)C)oc1C(=O)[O-] ZINC000908119895 981266726 /nfs/dbraw/zinc/26/67/26/981266726.db2.gz MQTRGPMUTMOCDC-OAHLLOKOSA-N -1 0 330.384 3.507 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)c2ccsc2C(F)F)CCC1 ZINC000908329904 981299636 /nfs/dbraw/zinc/29/96/36/981299636.db2.gz VLRBVUUCIDZPGM-UHFFFAOYSA-N -1 0 331.384 3.841 20 0 EHADRM Cc1occ(C(F)(F)F)c1C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908333167 981300428 /nfs/dbraw/zinc/30/04/28/981300428.db2.gz NIVCFEVUIYXCJB-UHFFFAOYSA-N -1 0 347.333 3.762 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)CCc2ccc3[nH]ccc3c2)CCC1 ZINC000908340059 981304675 /nfs/dbraw/zinc/30/46/75/981304675.db2.gz UOSVQIACXGSXLF-UHFFFAOYSA-N -1 0 342.439 3.642 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908341385 981305379 /nfs/dbraw/zinc/30/53/79/981305379.db2.gz ASSXVQDJJQHFQK-OAHLLOKOSA-N -1 0 349.496 3.850 20 0 EHADRM CC/C=C\[C@H](OC(=O)c1sc2ncccc2c1Cl)C(=O)[O-] ZINC001595513579 981306043 /nfs/dbraw/zinc/30/60/43/981306043.db2.gz FACYIVXAPWFQLU-RWIWAZIYSA-N -1 0 325.773 3.526 20 0 EHADRM CC[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1OC)c1ccccc1 ZINC000908508155 981319803 /nfs/dbraw/zinc/31/98/03/981319803.db2.gz PHZFRDSPMVEQOR-ZDUSSCGKSA-N -1 0 327.380 3.916 20 0 EHADRM CCCC(=CC(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-])CCC ZINC001595522902 981346143 /nfs/dbraw/zinc/34/61/43/981346143.db2.gz XLGPVVGRFPRGGR-UHFFFAOYSA-N -1 0 335.400 3.867 20 0 EHADRM Cc1c(CNC(=O)C23CCC(C(=O)[O-])(CC2)C3)oc2ccc(F)cc12 ZINC000908817026 981368229 /nfs/dbraw/zinc/36/82/29/981368229.db2.gz OKMWKSDURPAQFW-UHFFFAOYSA-N -1 0 345.370 3.532 20 0 EHADRM CCC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)c1cccc(Cl)c1 ZINC001595533009 981373872 /nfs/dbraw/zinc/37/38/72/981373872.db2.gz RDEZIIOFQOATIK-GMBSWORKSA-N -1 0 349.858 3.937 20 0 EHADRM CCC[C@](C)(NC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1)C(=O)[O-] ZINC000908867174 981381235 /nfs/dbraw/zinc/38/12/35/981381235.db2.gz PGOYWQLDJUAQIT-BMIGLBTASA-N -1 0 331.334 3.726 20 0 EHADRM CCC[C@H](C(=O)O[C@@H](C(=O)[O-])c1cccc(C)c1C)c1ccccn1 ZINC001595537081 981385694 /nfs/dbraw/zinc/38/56/94/981385694.db2.gz GQNXIQPVFVYUJF-FUHWJXTLSA-N -1 0 341.407 3.951 20 0 EHADRM CCCC(C)(C)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001595539005 981395980 /nfs/dbraw/zinc/39/59/80/981395980.db2.gz VBXOFAJKQZECME-UHFFFAOYSA-N -1 0 328.206 3.912 20 0 EHADRM CCC[C@H](C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)c1cccc(Cl)c1 ZINC001595539150 981396678 /nfs/dbraw/zinc/39/66/78/981396678.db2.gz YKGCLXOAVXTJDH-GJVDQKBNSA-N -1 0 349.858 3.839 20 0 EHADRM CCC[C@](C)(NCc1nnc(-c2cccc3ccccc32)o1)C(=O)[O-] ZINC001595559831 981443167 /nfs/dbraw/zinc/44/31/67/981443167.db2.gz RICDJUWCMNDXPU-IBGZPJMESA-N -1 0 339.395 3.623 20 0 EHADRM CCC/C(C)=C\C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001595564895 981453727 /nfs/dbraw/zinc/45/37/27/981453727.db2.gz BOENEEDJGXURLC-CLFYSBASSA-N -1 0 326.190 3.832 20 0 EHADRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2F)nn1C1CCCCC1 ZINC000909320320 981467357 /nfs/dbraw/zinc/46/73/57/981467357.db2.gz IDXDMKYHVHUDDY-UHFFFAOYSA-N -1 0 345.374 3.786 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ccoc1CC(=O)[O-] ZINC000909412757 981487440 /nfs/dbraw/zinc/48/74/40/981487440.db2.gz KNVBLBLZYSKMSI-RYUDHWBXSA-N -1 0 349.814 3.824 20 0 EHADRM CCc1c(C(=O)Nc2cc(F)cc(Cl)c2[O-])cnn1C(C)(C)C ZINC000274738436 1014739141 /nfs/dbraw/zinc/73/91/41/1014739141.db2.gz VHLRSNIZWMWITG-UHFFFAOYSA-N -1 0 339.798 3.951 20 0 EHADRM CCC[C@H](C)c1cc(NC(=O)Nc2cccc(C(=O)[O-])c2C)n[nH]1 ZINC001595579483 981508374 /nfs/dbraw/zinc/50/83/74/981508374.db2.gz PXEDNTKSOBDRHX-JTQLQIEISA-N -1 0 330.388 3.964 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)N2CCCC[C@H]2CC(=O)[O-])c1 ZINC000909500541 981512692 /nfs/dbraw/zinc/51/26/92/981512692.db2.gz VAIJGUIVXYHPJO-WBVHZDCISA-N -1 0 347.455 3.825 20 0 EHADRM CCCCn1ncc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c1C ZINC000909514315 981521411 /nfs/dbraw/zinc/52/14/11/981521411.db2.gz YKGCEWBYIKGOEQ-UHFFFAOYSA-N -1 0 329.400 3.559 20 0 EHADRM CCC[C@H](CC)C(=O)N(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001595585863 981527135 /nfs/dbraw/zinc/52/71/35/981527135.db2.gz GWLAHFSAHZCMNF-LKFCYVNXSA-N -1 0 331.334 3.514 20 0 EHADRM CC(C)[C@H](C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1)c1cccnc1 ZINC000909521845 981527573 /nfs/dbraw/zinc/52/75/73/981527573.db2.gz DAWKKIVFSABUFX-KSSFIOAISA-N -1 0 340.423 3.723 20 0 EHADRM CCC[C@@H](CC(C)C)C(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001595586315 981531455 /nfs/dbraw/zinc/53/14/55/981531455.db2.gz VMPZJPCXQLKLDR-LBPRGKRZSA-N -1 0 335.400 3.572 20 0 EHADRM Cc1ccsc1CCCC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000909605162 981550292 /nfs/dbraw/zinc/55/02/92/981550292.db2.gz NCQAAJIYLAGLOT-IBGZPJMESA-N -1 0 345.464 3.538 20 0 EHADRM CCC[C@H](Cc1ccccc1)N(CCC)C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001595594026 981560121 /nfs/dbraw/zinc/56/01/21/981560121.db2.gz KUTYADOUISKYSD-FGTMMUONSA-N -1 0 331.456 3.747 20 0 EHADRM CCC[C@H](NC(=O)N1CCc2cccc(C(=O)[O-])c2C1)C1CCCC1 ZINC001595598036 981566714 /nfs/dbraw/zinc/56/67/14/981566714.db2.gz FVGWTYYELOJDAI-SFHVURJKSA-N -1 0 344.455 3.811 20 0 EHADRM CCC[C@]1(C)CCCN(C(=O)N[C@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001595616448 981644285 /nfs/dbraw/zinc/64/42/85/981644285.db2.gz WIPVXUFNQUUPDC-BDJLRTHQSA-N -1 0 339.461 3.514 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N[C@H](c1cccc2ccccc21)C(F)(F)F ZINC001594748683 981645295 /nfs/dbraw/zinc/64/52/95/981645295.db2.gz RFJBCVDAYKPWPP-BXUZGUMPSA-N -1 0 339.313 3.670 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000909836282 981656643 /nfs/dbraw/zinc/65/66/43/981656643.db2.gz NYTLWQJVZCSJIT-CYBMUJFWSA-N -1 0 343.427 3.993 20 0 EHADRM CCC[C@H]1[C@H](C)CCCN1C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001595620035 981684166 /nfs/dbraw/zinc/68/41/66/981684166.db2.gz VFCSKMXYPGIBOA-ABAIWWIYSA-N -1 0 344.415 3.694 20 0 EHADRM CC(C)(C)SCCCC(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC000909868171 981691119 /nfs/dbraw/zinc/69/11/19/981691119.db2.gz GNRLYFITDNSGIC-UHFFFAOYSA-N -1 0 335.469 3.581 20 0 EHADRM CCC[C@@H]1CCC[C@H]1C(=O)NC[C@H](Cc1cccc(C)c1)C(=O)[O-] ZINC001595621055 981695860 /nfs/dbraw/zinc/69/58/60/981695860.db2.gz AYXTVXFKVBNZJM-FGTMMUONSA-N -1 0 331.456 3.571 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@H](C)c1c(F)cccc1F)c1ccccc1 ZINC001594763587 981700140 /nfs/dbraw/zinc/70/01/40/981700140.db2.gz AFHUJBBOJPZLBN-MLGOLLRUSA-N -1 0 347.361 3.965 20 0 EHADRM CCC[C@@H]1CCCN1C(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001595621988 981705108 /nfs/dbraw/zinc/70/51/08/981705108.db2.gz DKAHACBNMFZVQO-CYBMUJFWSA-N -1 0 340.217 3.552 20 0 EHADRM Cc1ccsc1CCCC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000909960183 981713355 /nfs/dbraw/zinc/71/33/55/981713355.db2.gz PJRZCLCVYPLKTG-JYJNAYRXSA-N -1 0 349.496 3.871 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@@H]1CCCC(F)(F)C1)c1ccccc1 ZINC001594768235 981728796 /nfs/dbraw/zinc/72/87/96/981728796.db2.gz RMFRQBMJYYDSCZ-TZMCWYRMSA-N -1 0 325.355 3.708 20 0 EHADRM CCC/C=C/C(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001595624129 981729203 /nfs/dbraw/zinc/72/92/03/981729203.db2.gz MPQKZONXPVZKAM-LLYBFZRZSA-N -1 0 330.211 3.766 20 0 EHADRM Cc1oc(C(C)C)nc1C(=O)N1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000910088342 981756320 /nfs/dbraw/zinc/75/63/20/981756320.db2.gz AIPAEXZLJCHTGZ-GJZGRUSLSA-N -1 0 348.443 3.602 20 0 EHADRM Cc1oc(C(C)C)nc1C(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000910101326 981759931 /nfs/dbraw/zinc/75/99/31/981759931.db2.gz ZFQMHMIYQZJBIP-GJZGRUSLSA-N -1 0 342.395 3.537 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21)c1ncc(C(=O)[O-])s1 ZINC000910154177 981767538 /nfs/dbraw/zinc/76/75/38/981767538.db2.gz XACXSKHWNSOTPB-UMSGYPCISA-N -1 0 336.457 3.625 20 0 EHADRM CC[C@H](C(=O)Oc1ccc(N(C)C)c(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001594777743 981769845 /nfs/dbraw/zinc/76/98/45/981769845.db2.gz DFRYQDHTUCCBRB-HNNXBMFYSA-N -1 0 345.370 3.689 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@@H](C)c1c(F)cccc1F ZINC001594779567 981782036 /nfs/dbraw/zinc/78/20/36/981782036.db2.gz BBFHLMVSKNOAED-BBATYDOGSA-N -1 0 339.382 3.560 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)Cc1c[nH]c2cccc(C)c12 ZINC001594781197 981786409 /nfs/dbraw/zinc/78/64/09/981786409.db2.gz JNPFZHICSFCLSR-HXUWFJFHSA-N -1 0 342.439 3.511 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)/C=C(\C)c1ccccc1OC ZINC001594782535 981791423 /nfs/dbraw/zinc/79/14/23/981791423.db2.gz RGQFWWMCEJXNTL-CMQXMCPJSA-N -1 0 345.439 3.590 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(F)c3ccccc23)[C@@H]2CCC[C@H]21 ZINC000910237304 981802164 /nfs/dbraw/zinc/80/21/64/981802164.db2.gz AMUUSDXGSFXKPZ-YXJHDRRASA-N -1 0 341.382 3.694 20 0 EHADRM CCCC[C@@H](C)C(=O)Oc1ccc(Br)cc1C(=O)[O-] ZINC001595631196 981833761 /nfs/dbraw/zinc/83/37/61/981833761.db2.gz GYMQHWFQTNDWJC-SECBINFHSA-N -1 0 329.190 3.879 20 0 EHADRM CCCC[C@@H](CC)CC(=O)N1c2c(cccc2C(=O)[O-])NC(=O)[C@H]1C ZINC001595632016 981848525 /nfs/dbraw/zinc/84/85/25/981848525.db2.gz OIIGCQLJVRYPBM-CHWSQXEVSA-N -1 0 346.427 3.665 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(Cc1noc2c1CC(C)(C)CC2)CC1CC1 ZINC001594791699 981852594 /nfs/dbraw/zinc/85/25/94/981852594.db2.gz OPGZANDZAIEAEO-IBGZPJMESA-N -1 0 334.460 3.655 20 0 EHADRM CCC(CC)n1ccc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)n1 ZINC000910301827 981859832 /nfs/dbraw/zinc/85/98/32/981859832.db2.gz ZGBBAERPOBMOOE-JKSUJKDBSA-N -1 0 341.411 3.685 20 0 EHADRM CCCC[C@H](COC)NC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001595633149 981866672 /nfs/dbraw/zinc/86/66/72/981866672.db2.gz CQOUKIWIDSIEPJ-CQSZACIVSA-N -1 0 344.411 3.865 20 0 EHADRM CCC(C)(C)C1CCC2(C[C@H]2C(=O)NCCSCC(=O)[O-])CC1 ZINC001594796562 981877534 /nfs/dbraw/zinc/87/75/34/981877534.db2.gz DVOMTOXDFGAEES-FVRSWCFKSA-N -1 0 341.517 3.553 20 0 EHADRM CCCC[C@@H](NC(=O)C(C)(C)c1ccc(Cl)cc1F)C(=O)[O-] ZINC001595634091 981881874 /nfs/dbraw/zinc/88/18/74/981881874.db2.gz GKNJSXAMLWRJGC-CYBMUJFWSA-N -1 0 329.799 3.516 20 0 EHADRM CCCC[C@H](NC(=O)[C@@H](Oc1ccc(Cl)cc1)C(C)C)C(=O)[O-] ZINC001595634395 981887751 /nfs/dbraw/zinc/88/77/51/981887751.db2.gz NKSOUVOIKQILNE-GJZGRUSLSA-N -1 0 341.835 3.503 20 0 EHADRM CCC(C)(C)CCNC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001594800788 981889181 /nfs/dbraw/zinc/88/91/81/981889181.db2.gz KBJHSMMOQCGOJE-INIZCTEOSA-N -1 0 346.471 3.930 20 0 EHADRM C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)C1 ZINC000910360000 981890656 /nfs/dbraw/zinc/89/06/56/981890656.db2.gz RNBKMNGZACWJCC-GTNSWQLSSA-N -1 0 349.390 3.566 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)Cc2cccc(C(F)F)c2)c1 ZINC000910368061 981898877 /nfs/dbraw/zinc/89/88/77/981898877.db2.gz RLWFQXYCMOWWSM-MRXNPFEDSA-N -1 0 347.361 3.807 20 0 EHADRM CCCC[C@@H](NC(=O)c1cc(Cl)cc(C(F)(F)F)c1)C(=O)[O-] ZINC001595636514 981918419 /nfs/dbraw/zinc/91/84/19/981918419.db2.gz XUMWOASVPAZPIS-LLVKDONJSA-N -1 0 337.725 3.732 20 0 EHADRM CSCCCCCCC(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC000910502933 981969122 /nfs/dbraw/zinc/96/91/22/981969122.db2.gz UJDOAVQKSLYPMG-UHFFFAOYSA-N -1 0 335.469 3.583 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001594822436 981974813 /nfs/dbraw/zinc/97/48/13/981974813.db2.gz YONWSFMWWLZKKL-CYBMUJFWSA-N -1 0 337.725 3.732 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cccc2c1ccn2CC(C)C ZINC001594823992 981980067 /nfs/dbraw/zinc/98/00/67/981980067.db2.gz XGSCLAZJRBHLJE-IBGZPJMESA-N -1 0 330.428 3.671 20 0 EHADRM CCCC[C@H](S[C@@H](C)C(=O)Nc1ccc(C)c(F)c1)C(=O)[O-] ZINC001595651839 982027105 /nfs/dbraw/zinc/02/71/05/982027105.db2.gz LOVOKUMEBUMEIK-FZMZJTMJSA-N -1 0 327.421 3.838 20 0 EHADRM CCc1c(NC(=O)Cc2ccc(C(=O)[O-])cc2)cnn1C(CC)CC ZINC000910654823 982042815 /nfs/dbraw/zinc/04/28/15/982042815.db2.gz BMTDIVQNUKJIGI-UHFFFAOYSA-N -1 0 343.427 3.686 20 0 EHADRM CC[C@](C)(NC(=O)Nc1cc(C(=O)[O-])sc1C)c1nccs1 ZINC001594841320 982052877 /nfs/dbraw/zinc/05/28/77/982052877.db2.gz COKNEKBFVPYOGV-AWEZNQCLSA-N -1 0 339.442 3.658 20 0 EHADRM CCCC[C@@H]1CCC[C@H]1N[C@H](C(=O)OC)c1cccc(C(=O)[O-])c1 ZINC001595660618 982072703 /nfs/dbraw/zinc/07/27/03/982072703.db2.gz KQZJPSQHXVMHLW-XYPHTWIQSA-N -1 0 333.428 3.547 20 0 EHADRM CC(C)c1sc(NC(=O)c2ccc(C(F)F)o2)nc1C(=O)[O-] ZINC000910705902 982075645 /nfs/dbraw/zinc/07/56/45/982075645.db2.gz OGWWZLIDMARCDJ-UHFFFAOYSA-N -1 0 330.312 3.748 20 0 EHADRM C/C(=C/C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1)C(C)(C)C ZINC000910722926 982085861 /nfs/dbraw/zinc/08/58/61/982085861.db2.gz VKBMWTKDCRFCPL-ZWLSGLHFSA-N -1 0 336.457 3.806 20 0 EHADRM O=C([O-])c1nc(NC(=O)C2(c3ccccc3F)CC2)sc1C1CC1 ZINC000910730347 982093446 /nfs/dbraw/zinc/09/34/46/982093446.db2.gz AIKVJKNWCQXRJA-UHFFFAOYSA-N -1 0 346.383 3.528 20 0 EHADRM CCCCC[C@H](C)CC(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2 ZINC001595666194 982097249 /nfs/dbraw/zinc/09/72/49/982097249.db2.gz FBHJLLWPPNVIAA-RYUDHWBXSA-N -1 0 338.473 3.878 20 0 EHADRM Cc1nc(C2CC2)ccc1C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910740310 982100351 /nfs/dbraw/zinc/10/03/51/982100351.db2.gz IQYLEEWPMPZDPY-UHFFFAOYSA-N -1 0 343.408 3.552 20 0 EHADRM CC(C)(CC(F)(F)F)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910742696 982107262 /nfs/dbraw/zinc/10/72/62/982107262.db2.gz SGEYPPGDOYKQOP-UHFFFAOYSA-N -1 0 336.335 3.636 20 0 EHADRM CCCCC[C@H](CC)C(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC001595669835 982115126 /nfs/dbraw/zinc/11/51/26/982115126.db2.gz KLQZXUGLKUDYJY-NHYWBVRUSA-N -1 0 327.371 3.813 20 0 EHADRM CCCCC[C@@H](CC)C(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001595670990 982122061 /nfs/dbraw/zinc/12/20/61/982122061.db2.gz WUYYDMRSKNOVCI-CYBMUJFWSA-N -1 0 331.416 3.666 20 0 EHADRM Cc1cc(C(=O)NC2CC(CC(=O)[O-])C2)sc1-c1ccccc1 ZINC000910808101 982130008 /nfs/dbraw/zinc/13/00/08/982130008.db2.gz WKNABLDQCBJWIE-UHFFFAOYSA-N -1 0 329.421 3.707 20 0 EHADRM CCCCC[C@H](NC(=O)c1cc(Cl)c(Cl)cc1OC)C(=O)[O-] ZINC001595675877 982144886 /nfs/dbraw/zinc/14/48/86/982144886.db2.gz CAASBHVPKYXPMM-LBPRGKRZSA-N -1 0 348.226 3.765 20 0 EHADRM CC[C@@](C)(OC)C(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001594862200 982153105 /nfs/dbraw/zinc/15/31/05/982153105.db2.gz UEXRPLOHLVGHEC-OAHLLOKOSA-N -1 0 345.848 3.660 20 0 EHADRM CCCCC[C@H](NC(=O)c1ccc(N2CCCCCC2)cc1)C(=O)[O-] ZINC001595681693 982163736 /nfs/dbraw/zinc/16/37/36/982163736.db2.gz UETNGXCCLHGSGY-SFHVURJKSA-N -1 0 346.471 3.830 20 0 EHADRM CSc1ccc(NC(=O)CO[C@H]2CCC[C@H](C)C2)cc1C(=O)[O-] ZINC000910948899 982173661 /nfs/dbraw/zinc/17/36/61/982173661.db2.gz BOGXGUMAYOWNFP-AAEUAGOBSA-N -1 0 337.441 3.641 20 0 EHADRM CCCCC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)C(C)(C)C ZINC001595687761 982181439 /nfs/dbraw/zinc/18/14/39/982181439.db2.gz TXYFAOAEQFNTQN-OAHLLOKOSA-N -1 0 341.473 3.658 20 0 EHADRM CC[C@H](C)[C@H](C)C(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001594874701 982203869 /nfs/dbraw/zinc/20/38/69/982203869.db2.gz XNDVEDBBEITXTM-NVGCLXPQSA-N -1 0 325.836 3.524 20 0 EHADRM CCCCCC[C@H](C)NC(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001595698663 982253009 /nfs/dbraw/zinc/25/30/09/982253009.db2.gz UBYANNUOUNYVOG-JXFKEZNVSA-N -1 0 346.471 3.783 20 0 EHADRM CCCCCC[C@H](O)CCC(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC001595703288 982268865 /nfs/dbraw/zinc/26/88/65/982268865.db2.gz SOJCCBDEHNAMEY-HOTGVXAUSA-N -1 0 347.455 3.703 20 0 EHADRM CCCCCCNC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001595711903 982302388 /nfs/dbraw/zinc/30/23/88/982302388.db2.gz CYLMBWAZMXJXNL-INIZCTEOSA-N -1 0 332.444 3.684 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N2CCCCC[C@H]2c2ccncc2)o1 ZINC000911235022 982306013 /nfs/dbraw/zinc/30/60/13/982306013.db2.gz VDKQGBLKILHAKT-BVBGJJFLSA-N -1 0 340.379 3.530 20 0 EHADRM CCCCCCOc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)cc1 ZINC001595715642 982314978 /nfs/dbraw/zinc/31/49/78/982314978.db2.gz XZDWJBZPNUJAOO-YOEHRIQHSA-N -1 0 333.428 3.581 20 0 EHADRM CCCCCSc1nc2ccc(NC(=O)CC(=O)[O-])cc2s1 ZINC001595724210 982344755 /nfs/dbraw/zinc/34/47/55/982344755.db2.gz RCKVLFXUHHGHKV-UHFFFAOYSA-N -1 0 338.454 3.992 20 0 EHADRM Cc1ccc(C(=O)Nc2c(F)cccc2N2CCCC2)cc1C(=O)[O-] ZINC000911328963 982354037 /nfs/dbraw/zinc/35/40/37/982354037.db2.gz XRFYBRBQWDZPJN-UHFFFAOYSA-N -1 0 342.370 3.685 20 0 EHADRM CCCCN(C(=O)Nc1nn(C)cc1C(=O)[O-])[C@H](C)c1ccccc1 ZINC001595731980 982365877 /nfs/dbraw/zinc/36/58/77/982365877.db2.gz MYUHODWCEGZCTC-CYBMUJFWSA-N -1 0 344.415 3.514 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)c1ccc(-c2ccccc2OC)s1)C(=O)[O-] ZINC001594913312 982429535 /nfs/dbraw/zinc/42/95/35/982429535.db2.gz ZANQWCZYTCKOCY-BZNIZROVSA-N -1 0 347.436 3.653 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@H]3CC[C@@H](c4cccc(F)c4)C3)(CC1)C2 ZINC000911575425 982512677 /nfs/dbraw/zinc/51/26/77/982512677.db2.gz ZYQZHKJPDYEXEI-IDAIIUJFSA-N -1 0 345.414 3.613 20 0 EHADRM CCCCOc1ccc(C(=O)N(CC2CC2)[C@@](C)(CC)C(=O)[O-])cc1 ZINC001595774104 982527714 /nfs/dbraw/zinc/52/77/14/982527714.db2.gz HSWMTSKYEMBMQW-FQEVSTJZSA-N -1 0 347.455 3.971 20 0 EHADRM O=C([O-])c1cccc(NC2CCN(C(=O)C[C@H]3C=CCCC3)CC2)c1 ZINC000911599522 982533647 /nfs/dbraw/zinc/53/36/47/982533647.db2.gz XCUSELHRIXTDHR-HNNXBMFYSA-N -1 0 342.439 3.534 20 0 EHADRM CC[C@@H](C)[C@H](Sc1nnc(NCc2ccccc2)s1)C(=O)[O-] ZINC001594928504 982538579 /nfs/dbraw/zinc/53/85/79/982538579.db2.gz JIHRHSWLTGWXML-PWSUYJOCSA-N -1 0 337.470 3.742 20 0 EHADRM CC[C@@H](C)[C@@H](Sc1nnc(NCc2cccs2)s1)C(=O)[O-] ZINC001594930372 982551726 /nfs/dbraw/zinc/55/17/26/982551726.db2.gz WFPJJJKGCGFKBA-PSASIEDQSA-N -1 0 343.499 3.803 20 0 EHADRM CC[C@@H](C)[C@@H](SCC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC001594930435 982552489 /nfs/dbraw/zinc/55/24/89/982552489.db2.gz WVYTYPMNVNRKOC-TZMCWYRMSA-N -1 0 345.505 3.866 20 0 EHADRM CC[C@H](C)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001594930941 982557222 /nfs/dbraw/zinc/55/72/22/982557222.db2.gz DEMHCRWHRQXNNO-GWCFXTLKSA-N -1 0 331.334 3.774 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)c1cc2c(cccc2N(C)C)s1)C(=O)[O-] ZINC001594945147 982630775 /nfs/dbraw/zinc/63/07/75/982630775.db2.gz NPTWJSHQUJCJEH-YPMHNXCESA-N -1 0 348.468 3.587 20 0 EHADRM CCCN(C(=O)CCCOc1ccc(Cl)c(C)c1)[C@H](C)C(=O)[O-] ZINC001595817029 982677348 /nfs/dbraw/zinc/67/73/48/982677348.db2.gz OGJDYCZBVXRKOQ-CYBMUJFWSA-N -1 0 341.835 3.519 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H](c2ccccc2)C2CCCCC2)cn1 ZINC000917143900 982679396 /nfs/dbraw/zinc/67/93/96/982679396.db2.gz WTVWXSPWXHUEBN-SFHVURJKSA-N -1 0 338.407 3.831 20 0 EHADRM CCCN(C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F)C1CC1 ZINC001595823268 982697579 /nfs/dbraw/zinc/69/75/79/982697579.db2.gz VHEVIVCKDOJNOS-CYBMUJFWSA-N -1 0 344.333 3.572 20 0 EHADRM Cc1ccc(CC(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1Cl ZINC000923048729 982698826 /nfs/dbraw/zinc/69/88/26/982698826.db2.gz ZOLZCBMJXJTCFD-CYBMUJFWSA-N -1 0 337.828 3.585 20 0 EHADRM CCCN(C(=O)[C@H]1CC[C@H]1C(=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC001595824917 982708194 /nfs/dbraw/zinc/70/81/94/982708194.db2.gz ZKNORXSEAWXQMB-VHDGCEQUSA-N -1 0 329.396 3.843 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@H](C)Cc1ccc(Cl)cc1Cl ZINC001594968391 982734480 /nfs/dbraw/zinc/73/44/80/982734480.db2.gz MWGPVBARCGZMST-MNOVXSKESA-N -1 0 346.254 3.884 20 0 EHADRM CC[C@H](CC(=O)NCCc1ccccc1C(=O)[O-])c1ccc(C)cc1 ZINC000923120553 982739660 /nfs/dbraw/zinc/73/96/60/982739660.db2.gz TVYQHJFPNRLYBL-MRXNPFEDSA-N -1 0 339.435 3.936 20 0 EHADRM CC(C)(CC(=O)Nc1cc(C(=O)[O-])cc2cccnc21)C(F)(F)F ZINC000923120745 982739891 /nfs/dbraw/zinc/73/98/91/982739891.db2.gz WTPVQUKYDRAUFA-UHFFFAOYSA-N -1 0 340.301 3.850 20 0 EHADRM CCC1(C(=O)NCCc2ccccc2C(=O)[O-])CCC(F)(F)CC1 ZINC000923122691 982742407 /nfs/dbraw/zinc/74/24/07/982742407.db2.gz GNJQMOHKKFOQBV-UHFFFAOYSA-N -1 0 339.382 3.649 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)CSc1ccc2ccccc2c1 ZINC001594974311 982745271 /nfs/dbraw/zinc/74/52/71/982745271.db2.gz DHAMIGCAWSAKSE-ZDUSSCGKSA-N -1 0 331.437 3.644 20 0 EHADRM CCCN(C)c1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC001595840080 982758753 /nfs/dbraw/zinc/75/87/53/982758753.db2.gz QQNWLTIXDDINHM-UHFFFAOYSA-N -1 0 330.359 3.622 20 0 EHADRM CC[C@@H](C)N1C(=O)N[C@H](c2ccc3occc3c2)C(C(=O)[O-])=C1C ZINC001594985230 982798402 /nfs/dbraw/zinc/79/84/02/982798402.db2.gz KJBAVNWPTNOLLJ-QLJPJBMISA-N -1 0 328.368 3.656 20 0 EHADRM CCCN(CC)c1ccc(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)cn1 ZINC001595868659 982841319 /nfs/dbraw/zinc/84/13/19/982841319.db2.gz ABEVHRZXTIFOPS-UHFFFAOYSA-N -1 0 341.411 3.577 20 0 EHADRM CCCN(CC)c1ccc(C(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])cc1 ZINC001595869181 982845981 /nfs/dbraw/zinc/84/59/81/982845981.db2.gz NRYZUBDBRRJSJB-XLIONFOSSA-N -1 0 346.471 3.686 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)Nc2cc(C)c(C(=O)[O-])c(C)n2)cc1 ZINC001594999384 982906245 /nfs/dbraw/zinc/90/62/45/982906245.db2.gz DYSOWXRKNKEFHC-GFCCVEGCSA-N -1 0 342.395 3.826 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)NCC(CC)(CC)C(=O)[O-] ZINC001595003393 982914945 /nfs/dbraw/zinc/91/49/45/982914945.db2.gz DEZRHRQUQLLUSM-LLNWESEBSA-N -1 0 347.455 3.884 20 0 EHADRM CCCN(Cc1ccc(C)cc1)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001595889010 982920290 /nfs/dbraw/zinc/92/02/90/982920290.db2.gz VVDYJZKKEVBQFC-UHFFFAOYSA-N -1 0 346.471 3.952 20 0 EHADRM CCCN(Cc1cccc(C(=O)[O-])n1)Cc1c(F)cccc1Cl ZINC001595899056 982947195 /nfs/dbraw/zinc/94/71/95/982947195.db2.gz AITDCPRSXIJVGV-UHFFFAOYSA-N -1 0 336.794 3.985 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1cnn(C2CCCCC2)c1 ZINC001119584460 982993670 /nfs/dbraw/zinc/99/36/70/982993670.db2.gz BATVKPVOQYKGOS-UHFFFAOYSA-N -1 0 349.475 3.597 20 0 EHADRM CCCOc1ccc(CCc2nc(-c3cc(C(=O)[O-])co3)no2)cc1 ZINC001595954417 983137980 /nfs/dbraw/zinc/13/79/80/983137980.db2.gz KDCFJRHFQJERDN-UHFFFAOYSA-N -1 0 342.351 3.602 20 0 EHADRM CCCOc1ccc(NC(=O)NCC(C)(C)CC(=O)[O-])cc1Cl ZINC001595960648 983153685 /nfs/dbraw/zinc/15/36/85/983153685.db2.gz MVSGEXXTFMHGFC-UHFFFAOYSA-N -1 0 342.823 3.751 20 0 EHADRM CCCOc1ccc(NC(=O)Nc2ccc(C(=O)[O-])cc2OC)cc1 ZINC001595961170 983157081 /nfs/dbraw/zinc/15/70/81/983157081.db2.gz UNXAWVRZPASLAO-UHFFFAOYSA-N -1 0 344.367 3.826 20 0 EHADRM CCCOc1ccc(NCc2cc(C(=O)[O-])c(CC)[nH]2)cc1OC ZINC001595966110 983170281 /nfs/dbraw/zinc/17/02/81/983170281.db2.gz CTBWMGYMOXGKQX-UHFFFAOYSA-N -1 0 332.400 3.685 20 0 EHADRM CCCOc1cccc(CC(=O)O[C@H](C)c2cc(C(=O)[O-])co2)c1 ZINC001595968856 983186852 /nfs/dbraw/zinc/18/68/52/983186852.db2.gz LUIDESLYJDXVFV-GFCCVEGCSA-N -1 0 332.352 3.614 20 0 EHADRM CCCc1[nH]ccc1C(=O)N[C@@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001596026704 983290172 /nfs/dbraw/zinc/29/01/72/983290172.db2.gz NKELTJCCISCZKO-GOSISDBHSA-N -1 0 348.830 3.741 20 0 EHADRM CCCc1c(C(=O)NCC(C2CCC2)C2CCC2)[nH]c(C)c1C(=O)[O-] ZINC001596037104 983317392 /nfs/dbraw/zinc/31/73/92/983317392.db2.gz BSDGELZYAYOXJQ-UHFFFAOYSA-N -1 0 346.471 3.920 20 0 EHADRM CCCc1cc(C(=O)NCc2ccc(C(=O)[O-])s2)ccc1Cl ZINC001596055426 983358321 /nfs/dbraw/zinc/35/83/21/983358321.db2.gz REGMMXKAPIRVOD-UHFFFAOYSA-N -1 0 337.828 3.982 20 0 EHADRM CCCc1cc(C(=O)NCc2cccc(C(=O)[O-])c2)ccc1Cl ZINC001596055590 983359015 /nfs/dbraw/zinc/35/90/15/983359015.db2.gz SPHHTOPSPKBCDT-UHFFFAOYSA-N -1 0 331.799 3.921 20 0 EHADRM CCCc1cc(C(=O)Nc2nc3c(cccc3C(=O)[O-])[nH]2)sc1C ZINC001596057080 983363370 /nfs/dbraw/zinc/36/33/70/983363370.db2.gz WKSXNNAJXFQVIU-UHFFFAOYSA-N -1 0 343.408 3.836 20 0 EHADRM CCCc1cc(=O)[nH]c(SCc2cc(C(=O)[O-])ccc2Cl)n1 ZINC001596058948 983367117 /nfs/dbraw/zinc/36/71/17/983367117.db2.gz RSYGXXDWIPRFLU-UHFFFAOYSA-N -1 0 338.816 3.779 20 0 EHADRM CCCc1ccc(NC(=O)N[C@@](C)(CC(=O)[O-])c2ccncc2)cc1 ZINC001596065146 983379246 /nfs/dbraw/zinc/37/92/46/983379246.db2.gz SIQQQXIHBNQRCJ-IBGZPJMESA-N -1 0 341.411 3.546 20 0 EHADRM CCCc1nc(C)c(C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)o1 ZINC001596082028 983397562 /nfs/dbraw/zinc/39/75/62/983397562.db2.gz AJUWNCNVFLJFRL-UHFFFAOYSA-N -1 0 346.383 3.673 20 0 EHADRM CCCn1ccc2cc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])ccc21 ZINC001596115910 983445923 /nfs/dbraw/zinc/44/59/23/983445923.db2.gz MTQDGRCBARFFJW-JKSUJKDBSA-N -1 0 328.412 3.881 20 0 EHADRM CCCn1cc(N[C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)cn1 ZINC001596115899 983446051 /nfs/dbraw/zinc/44/60/51/983446051.db2.gz MPHUCOOWEJIWIW-CYBMUJFWSA-N -1 0 327.306 3.550 20 0 EHADRM CCN(C(=O)CC1(CSc2ccccc2)CC1)C(C)(C)C(=O)[O-] ZINC001596133239 983481372 /nfs/dbraw/zinc/48/13/72/983481372.db2.gz GYRXDPQHQWVYHT-UHFFFAOYSA-N -1 0 335.469 3.661 20 0 EHADRM CCN(C(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccc(OC)cc1 ZINC001596150758 983510948 /nfs/dbraw/zinc/51/09/48/983510948.db2.gz NCYGTLUMGKDCKV-UHFFFAOYSA-N -1 0 332.331 3.591 20 0 EHADRM CCN(C(=O)Nc1ccccc1C(=O)[O-])[C@@H](C)Cc1ccsc1 ZINC001596158652 983521704 /nfs/dbraw/zinc/52/17/04/983521704.db2.gz QRHSWSWBRWWOPW-LBPRGKRZSA-N -1 0 332.425 3.931 20 0 EHADRM CCN(C(=O)c1cc(C(=O)[O-])oc1C)c1cccc(C(F)(F)F)c1 ZINC001596161453 983525752 /nfs/dbraw/zinc/52/57/52/983525752.db2.gz XFTVNBWYPGMUOU-UHFFFAOYSA-N -1 0 341.285 3.972 20 0 EHADRM CCN(C(=O)c1ccc(C(=O)[O-])n1C)c1cccc(Cl)c1Cl ZINC001596165207 983529042 /nfs/dbraw/zinc/52/90/42/983529042.db2.gz LPGOMQWEFNFUPS-UHFFFAOYSA-N -1 0 341.194 3.697 20 0 EHADRM CCN(CC(=O)[O-])C(=O)[C@H](Sc1ccccc1F)c1ccccc1 ZINC001596212323 983602974 /nfs/dbraw/zinc/60/29/74/983602974.db2.gz IMVKEEGDUNFJPZ-QGZVFWFLSA-N -1 0 347.411 3.592 20 0 EHADRM CCN(Cc1c[nH]c2ccccc12)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001596354212 983814835 /nfs/dbraw/zinc/81/48/35/983814835.db2.gz DEKOBGFKSJWFHY-UHFFFAOYSA-N -1 0 343.408 3.982 20 0 EHADRM CCN(Cc1ccc(Cl)c(Cl)c1)c1ccnc(C(=O)[O-])n1 ZINC001596359959 983836848 /nfs/dbraw/zinc/83/68/48/983836848.db2.gz UJUCPWJANYEIMH-UHFFFAOYSA-N -1 0 326.183 3.508 20 0 EHADRM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001596359985 983837007 /nfs/dbraw/zinc/83/70/07/983837007.db2.gz VWZSUHIXLMDQRW-UHFFFAOYSA-N -1 0 341.194 3.682 20 0 EHADRM CCN(Cc1ccc2ccccc2c1)C(=O)c1cncc(C(=O)[O-])c1 ZINC001596364454 983848042 /nfs/dbraw/zinc/84/80/42/983848042.db2.gz GZMJUUGEGNIZRM-UHFFFAOYSA-N -1 0 334.375 3.595 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001596364730 983852838 /nfs/dbraw/zinc/85/28/38/983852838.db2.gz ASOJRACVWLLCHL-YWEYNIOJSA-N -1 0 339.800 3.755 20 0 EHADRM CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccc(/C=C/C(=O)[O-])o1 ZINC001596395043 983932164 /nfs/dbraw/zinc/93/21/64/983932164.db2.gz RVGFCKQGXRAQAY-WHWKNOJMSA-N -1 0 346.770 3.617 20 0 EHADRM CCOC(=O)[C@H](Sc1nc2ccc(C(=O)[O-])cc2o1)C(C)(C)C ZINC001596544606 984401119 /nfs/dbraw/zinc/40/11/19/984401119.db2.gz SFBFHFSMEVFLAZ-LBPRGKRZSA-N -1 0 337.397 3.596 20 0 EHADRM CCOC(=O)C1CCC(SCc2ccc(C(=O)[O-])cc2F)CC1 ZINC001596570116 984462622 /nfs/dbraw/zinc/46/26/22/984462622.db2.gz JOJYOPCACXQXLB-UHFFFAOYSA-N -1 0 340.416 3.879 20 0 EHADRM C=COc1ccc(NC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC001588912938 984553880 /nfs/dbraw/zinc/55/38/80/984553880.db2.gz TZIWTGLNGSPRIG-CYBMUJFWSA-N -1 0 332.400 3.564 20 0 EHADRM C/C(=C(/F)C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1)C1CC1 ZINC001588932107 984605586 /nfs/dbraw/zinc/60/55/86/984605586.db2.gz AWJMDIDCYKJOLQ-ATVHPVEESA-N -1 0 346.402 3.967 20 0 EHADRM C/C(=C/C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-])c1cccs1 ZINC001588933595 984612630 /nfs/dbraw/zinc/61/26/30/984612630.db2.gz UVQAAHLDZKAXJG-FZDNWWAKSA-N -1 0 329.421 3.653 20 0 EHADRM C/C(=C\C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-])c1cccs1 ZINC001588933594 984612770 /nfs/dbraw/zinc/61/27/70/984612770.db2.gz UVQAAHLDZKAXJG-CMPYXILNSA-N -1 0 329.421 3.653 20 0 EHADRM C/C(=C/C(=O)NCC1(CC(=O)[O-])CCCC1)c1cccc(Cl)c1 ZINC001588939629 984630087 /nfs/dbraw/zinc/63/00/87/984630087.db2.gz ZDBQYXLEPGMVLC-LCYFTJDESA-N -1 0 335.831 3.895 20 0 EHADRM C/C(=C\C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C)c1cccs1 ZINC001588943911 984642718 /nfs/dbraw/zinc/64/27/18/984642718.db2.gz IOJDMLQGYUBXQR-PKNBQFBNSA-N -1 0 330.409 3.554 20 0 EHADRM C[C@H](CC(=O)[O-])OC(=O)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC001599890418 984686773 /nfs/dbraw/zinc/68/67/73/984686773.db2.gz ORTOZLZWWQJETF-SNVBAGLBSA-N -1 0 335.743 3.547 20 0 EHADRM C/C(=C\C(=O)Oc1cc(C(=O)[O-])cc(F)c1C)c1ccc(F)cc1 ZINC001588953720 984698502 /nfs/dbraw/zinc/69/85/02/984698502.db2.gz ZRASFTRWWBJWJR-JXMROGBWSA-N -1 0 332.302 3.980 20 0 EHADRM C/C(=C/C1CCC(C)CC1)C(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001588956662 984707761 /nfs/dbraw/zinc/70/77/61/984707761.db2.gz XEAYPHJLBAJXFY-HGEMCFHKSA-N -1 0 347.377 3.625 20 0 EHADRM CCOC(=O)Nc1ccc(C(=O)Nc2cc(C(=O)[O-])sc2C)cc1 ZINC001596684594 984779424 /nfs/dbraw/zinc/77/94/24/984779424.db2.gz XQDHNSUVMCRDBM-UHFFFAOYSA-N -1 0 348.380 3.575 20 0 EHADRM CSc1cc(NC(=O)C[C@]2(C(=O)[O-])CCSC2)ccc1Cl ZINC000666114105 1032109524 /nfs/dbraw/zinc/10/95/24/1032109524.db2.gz DMOSDWXZMQEQDR-CQSZACIVSA-N -1 0 345.873 3.598 20 0 EHADRM C[C@H](OC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(C(F)(F)F)nc1 ZINC001599904004 984898666 /nfs/dbraw/zinc/89/86/66/984898666.db2.gz XCGSUFDRKKEKTM-GARJFASQSA-N -1 0 345.317 3.596 20 0 EHADRM C/C(=C\COC(=O)c1c(F)ccc(SCC2CC2)c1F)C(=O)[O-] ZINC001588989194 984907073 /nfs/dbraw/zinc/90/70/73/984907073.db2.gz KGICXWQVLDYHMF-RMKNXTFCSA-N -1 0 342.363 3.655 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001599905255 984913656 /nfs/dbraw/zinc/91/36/56/984913656.db2.gz CRCPYRAUBMWOTO-SNVBAGLBSA-N -1 0 333.775 3.658 20 0 EHADRM C[C@H](Oc1ccc2ccccc2c1)C(=O)Oc1ccc(C(=O)[O-])cc1 ZINC001599905674 984919258 /nfs/dbraw/zinc/91/92/58/984919258.db2.gz BNRKSNXDADPONL-ZDUSSCGKSA-N -1 0 336.343 3.911 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC001588996108 984931227 /nfs/dbraw/zinc/93/12/27/984931227.db2.gz ZQDDCTNTIDSVHS-UVTDQMKNSA-N -1 0 327.355 3.655 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)OCc2ccc(Cl)cc2)(C(=O)[O-])CC1 ZINC001599907131 984938831 /nfs/dbraw/zinc/93/88/31/984938831.db2.gz IAZOYMUZCHFMNS-SXUIPJSXSA-N -1 0 325.792 3.600 20 0 EHADRM C[C@H]1CN(C(=O)/C=C\c2ccc(F)c3ccccc23)C[C@]1(C)C(=O)[O-] ZINC001599915539 985049716 /nfs/dbraw/zinc/04/97/16/985049716.db2.gz KHLDHYFKJATKGP-JSUFXHCXSA-N -1 0 341.382 3.561 20 0 EHADRM CC(=O)Nc1cc(N[C@@H](C(=O)[O-])c2ccccc2Cl)ccc1F ZINC001589180909 985556082 /nfs/dbraw/zinc/55/60/82/985556082.db2.gz SCCSCJPKSBZLND-OAHLLOKOSA-N -1 0 336.750 3.675 20 0 EHADRM CC(=O)Nc1cc(N[C@H](C(=O)[O-])c2ccccc2Cl)ccc1F ZINC001589180908 985556171 /nfs/dbraw/zinc/55/61/71/985556171.db2.gz SCCSCJPKSBZLND-HNNXBMFYSA-N -1 0 336.750 3.675 20 0 EHADRM CC(=O)Nc1ccc(-c2cc(C(=O)[O-])n(C(=O)OC(C)(C)C)c2)cc1 ZINC001589184362 985565999 /nfs/dbraw/zinc/56/59/99/985565999.db2.gz NLGXNUITAULIJI-UHFFFAOYSA-N -1 0 344.367 3.595 20 0 EHADRM C[C@H]1CN(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])c2ccccc21 ZINC001594487084 985571871 /nfs/dbraw/zinc/57/18/71/985571871.db2.gz ZRBSVBGUQKWPNY-LBPRGKRZSA-N -1 0 334.375 3.559 20 0 EHADRM Cc1[nH]c(C(=O)N2CC(C)(C)Cc3ccccc32)c(C)c1C(=O)[O-] ZINC001599951756 985619814 /nfs/dbraw/zinc/61/98/14/985619814.db2.gz XWZFMBMYYBMTRR-UHFFFAOYSA-N -1 0 326.396 3.559 20 0 EHADRM Cc1[nH]c(C(=O)Nc2cccc(OC(C)(C)C)c2)c(C)c1C(=O)[O-] ZINC001599954971 985672898 /nfs/dbraw/zinc/67/28/98/985672898.db2.gz WPTHKCKNBRDLFY-UHFFFAOYSA-N -1 0 330.384 3.759 20 0 EHADRM C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)C[C@H](C2CC2)O1 ZINC001594501079 985683748 /nfs/dbraw/zinc/68/37/48/985683748.db2.gz LAUHNLKXLZSZBP-PKPZWWHKSA-N -1 0 344.238 3.618 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@@H](C)c1ccccc1OC(C)C ZINC001599955754 985686415 /nfs/dbraw/zinc/68/64/15/985686415.db2.gz PHOXTMWVUQIHPG-LBPRGKRZSA-N -1 0 344.411 3.608 20 0 EHADRM C[C@@H]1CN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)Cc2ccccc2O1 ZINC001594501409 985687494 /nfs/dbraw/zinc/68/74/94/985687494.db2.gz NJARFALCYVUPFT-PIGZYNQJSA-N -1 0 349.789 3.888 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1ccc2ccc(Cl)cc2n1 ZINC001599956671 985700845 /nfs/dbraw/zinc/70/08/45/985700845.db2.gz JNTWHQIYJMPCGK-UHFFFAOYSA-N -1 0 343.770 3.784 20 0 EHADRM CC(=O)Nc1cccc(NCc2cc(C(=O)[O-])c(C(C)C)[nH]2)c1C ZINC001589211648 985703317 /nfs/dbraw/zinc/70/33/17/985703317.db2.gz JZDCJYLPKKYNKX-UHFFFAOYSA-N -1 0 329.400 3.715 20 0 EHADRM CC(C)c1[nH]c(CN2C[C@@H](C)CN(C)c3ccccc32)cc1C(=O)[O-] ZINC001594505000 985705053 /nfs/dbraw/zinc/70/50/53/985705053.db2.gz DEBFWUXLXMECSC-AWEZNQCLSA-N -1 0 341.455 3.929 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCc1c(Cl)oc2ccccc21 ZINC001599957144 985708167 /nfs/dbraw/zinc/70/81/67/985708167.db2.gz FZDGVFJKNWQBHY-UHFFFAOYSA-N -1 0 346.770 3.659 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1cccc2c1ccn2C(F)F ZINC001599958092 985723936 /nfs/dbraw/zinc/72/39/36/985723936.db2.gz OZKOQAPWAMLUOR-UHFFFAOYSA-N -1 0 347.321 3.932 20 0 EHADRM Cc1c(-c2cc(CSCc3ccccc3C(=O)[O-])on2)cnn1C ZINC001599969663 985982691 /nfs/dbraw/zinc/98/26/91/985982691.db2.gz PBAROCDRNVKSJE-UHFFFAOYSA-N -1 0 343.408 3.515 20 0 EHADRM O=C([O-])C1CCC(CC(=O)NCC2(c3ccccc3)CCC2)CC1 ZINC000579843223 1015181439 /nfs/dbraw/zinc/18/14/39/1015181439.db2.gz ZJGCZPOAQDFPDQ-UHFFFAOYSA-N -1 0 329.440 3.506 20 0 EHADRM CC(=O)c1ccc(NC(=O)NCc2ccc(C(=O)[O-])cc2)cc1Cl ZINC001589290705 986028394 /nfs/dbraw/zinc/02/83/94/986028394.db2.gz XPVHTJVOVORKQZ-UHFFFAOYSA-N -1 0 346.770 3.563 20 0 EHADRM Cc1c2ccccc2oc1C(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-] ZINC001599975637 986086686 /nfs/dbraw/zinc/08/66/86/986086686.db2.gz RVJLGYOYDPEXQW-CQSZACIVSA-N -1 0 337.375 3.857 20 0 EHADRM CCOc1c(Cl)cccc1CNCc1ccc(C(=O)[O-])cc1F ZINC001596993071 986282455 /nfs/dbraw/zinc/28/24/55/986282455.db2.gz XVLCMCKFAUTFBY-UHFFFAOYSA-N -1 0 337.778 3.866 20 0 EHADRM CCOc1cc(Br)c(F)cc1NC1CC(CC(=O)[O-])C1 ZINC001596993593 986285554 /nfs/dbraw/zinc/28/55/54/986285554.db2.gz MMJQUZMMMFWVOG-UHFFFAOYSA-N -1 0 346.196 3.652 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)C1(C(F)(F)F)CCCC1 ZINC001597009674 986344898 /nfs/dbraw/zinc/34/48/98/986344898.db2.gz OYAHWNDMSXEGML-UHFFFAOYSA-N -1 0 345.317 3.845 20 0 EHADRM C[C@@H](C(=O)N1CCC[C@](C)(C(=O)[O-])C1)c1ccccc1C(F)(F)F ZINC001589357232 986345703 /nfs/dbraw/zinc/34/57/03/986345703.db2.gz WTCJSJGICFUHLL-BZNIZROVSA-N -1 0 343.345 3.522 20 0 EHADRM C[C@H](C(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001589359015 986352317 /nfs/dbraw/zinc/35/23/17/986352317.db2.gz JRVGZXCGNZMRBP-ZXLZKYRFSA-N -1 0 342.222 3.563 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1C[C@@H]2CCCC[C@@]21C ZINC001597016931 986387640 /nfs/dbraw/zinc/38/76/40/986387640.db2.gz NYYMJDJKMVAZKA-UGSOOPFHSA-N -1 0 332.400 3.580 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@@](C)(CC)C1 ZINC001597017291 986392429 /nfs/dbraw/zinc/39/24/29/986392429.db2.gz XDGKOZCDCRNDJH-GOSISDBHSA-N -1 0 334.416 3.828 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(C(C)C)nc1C ZINC001597026668 986435801 /nfs/dbraw/zinc/43/58/01/986435801.db2.gz XYQGGGRAFJVPJL-UHFFFAOYSA-N -1 0 342.395 3.863 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1cccc2scnc21 ZINC001597026703 986436142 /nfs/dbraw/zinc/43/61/42/986436142.db2.gz YYQYNRCJAZFNIO-UHFFFAOYSA-N -1 0 342.376 3.646 20 0 EHADRM C[C@@H](C(=O)N[C@](C)(CC(=O)[O-])C1CC1)c1ccccc1C(F)(F)F ZINC001589382838 986469236 /nfs/dbraw/zinc/46/92/36/986469236.db2.gz XLUQSMYXIUJYTM-QLJPJBMISA-N -1 0 343.345 3.569 20 0 EHADRM C[C@@H]1Cc2cc(Cl)ccc2N1CCOc1cccc(C(=O)[O-])c1 ZINC001594615125 986631117 /nfs/dbraw/zinc/63/11/17/986631117.db2.gz LHVAYFLLHAHASK-GFCCVEGCSA-N -1 0 331.799 3.868 20 0 EHADRM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1F)c1ccc(Cl)s1 ZINC001589414716 986638068 /nfs/dbraw/zinc/63/80/68/986638068.db2.gz LEVQCETWRUDNLI-MRVPVSSYSA-N -1 0 341.791 3.659 20 0 EHADRM CC(C)c1nc(NC(=O)c2cccc3c2O[C@@H](C)C3)sc1C(=O)[O-] ZINC001594620733 986659015 /nfs/dbraw/zinc/65/90/15/986659015.db2.gz QOORPQGABLKKDY-VIFPVBQESA-N -1 0 346.408 3.540 20 0 EHADRM CC(C)CCOc1ccccc1NC(=O)c1cc(=O)[nH]c(C2CC2)n1 ZINC000655228749 1015242755 /nfs/dbraw/zinc/24/27/55/1015242755.db2.gz ZEXJUKKMXSNREK-UHFFFAOYSA-N -1 0 341.411 3.737 20 0 EHADRM C[C@@H]1N(C(=O)c2cc(F)cc(C(=O)[O-])c2)c2ccccc2C1(C)C ZINC001594624622 986686125 /nfs/dbraw/zinc/68/61/25/986686125.db2.gz AEBUVLDGJFGLAJ-NSHDSACASA-N -1 0 327.355 3.850 20 0 EHADRM C[C@@H]1N(C(=O)Nc2cccc3cc(C(=O)[O-])sc32)CCOC1(C)C ZINC001594626895 986696277 /nfs/dbraw/zinc/69/62/77/986696277.db2.gz PUVLTEUJPKRNKV-JTQLQIEISA-N -1 0 348.424 3.631 20 0 EHADRM C[C@H](C(=O)Nc1cc(-c2ccccc2)sc1C(=O)[O-])[C@@H]1CCCO1 ZINC001589428193 986698719 /nfs/dbraw/zinc/69/87/19/986698719.db2.gz CLVIZWYFSCUXIE-FZMZJTMJSA-N -1 0 345.420 3.867 20 0 EHADRM CCOc1ccc(CN[C@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])o1 ZINC001597100725 986709150 /nfs/dbraw/zinc/70/91/50/986709150.db2.gz FHEICGQNSVXCLM-MAUKXSAKSA-N -1 0 343.423 3.731 20 0 EHADRM CCOc1ccc(CNC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cc1 ZINC001597101318 986716667 /nfs/dbraw/zinc/71/66/67/986716667.db2.gz SKOKQFPDSLFTAD-ZDUSSCGKSA-N -1 0 342.395 3.595 20 0 EHADRM CCOc1ccc(N(C)C(=O)Nc2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001597106326 986747292 /nfs/dbraw/zinc/74/72/92/986747292.db2.gz NXQLTNDIXDOMLM-UHFFFAOYSA-N -1 0 328.368 3.760 20 0 EHADRM CCOc1ccc(Cl)c(NC(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC001597106825 986751201 /nfs/dbraw/zinc/75/12/01/986751201.db2.gz UHIQMQKTDIHBHD-UHFFFAOYSA-N -1 0 348.786 3.759 20 0 EHADRM C[C@@H](C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC001589439471 986773833 /nfs/dbraw/zinc/77/38/33/986773833.db2.gz VQDFOTWECVHJMR-WKPIXPDZSA-N -1 0 345.345 3.895 20 0 EHADRM CCOc1ccc(NC(=O)[C@H]2CC3CCC2CC3)c(C(=O)[O-])c1F ZINC001597113866 986789623 /nfs/dbraw/zinc/78/96/23/986789623.db2.gz YBCYLQPDVAZTDU-MCIGGMRASA-N -1 0 335.375 3.687 20 0 EHADRM C[C@H]([C@H](C)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1)C(C)(C)C ZINC001589445194 986807822 /nfs/dbraw/zinc/80/78/22/986807822.db2.gz WDDHLWQQIFEYBX-VHSXEESVSA-N -1 0 326.462 3.762 20 0 EHADRM CCOc1ccc(NC(=O)c2cc(Cl)cs2)c(C(=O)[O-])c1F ZINC001597122698 986818805 /nfs/dbraw/zinc/81/88/05/986818805.db2.gz JXEJUOKASUJBQI-UHFFFAOYSA-N -1 0 343.763 3.890 20 0 EHADRM CCOc1ccc(N[C@H](C(=O)[O-])c2ccccc2Cl)cc1OC ZINC001597122808 986820165 /nfs/dbraw/zinc/82/01/65/986820165.db2.gz GQJAYMYKSZWNPZ-INIZCTEOSA-N -1 0 335.787 3.985 20 0 EHADRM C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1C(=O)[O-] ZINC001594643515 986820740 /nfs/dbraw/zinc/82/07/40/986820740.db2.gz HCMJFBRCALCCOD-DOMZBBRYSA-N -1 0 341.363 3.541 20 0 EHADRM CCOc1ccc(NCc2cc(C(=O)[O-])c(C)n2C)c2ncccc12 ZINC001597123941 986827819 /nfs/dbraw/zinc/82/78/19/986827819.db2.gz RERNNCVICKPMGW-UHFFFAOYSA-N -1 0 339.395 3.591 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NCc1c(Cl)cncc1Cl)c1ccccc1 ZINC001589469630 986945118 /nfs/dbraw/zinc/94/51/18/986945118.db2.gz WJAWGQZGVXFEEG-ZUZCIYMTSA-N -1 0 339.222 3.940 20 0 EHADRM C[C@@H]1c2cc(F)cc(F)c2CCN1Cc1ccccc1OCC(=O)[O-] ZINC001594665700 986959769 /nfs/dbraw/zinc/95/97/69/986959769.db2.gz JQKRFFUFOZPTIN-GFCCVEGCSA-N -1 0 347.361 3.548 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)/C=C\c1ccsc1C(F)(F)F)C1CCC1 ZINC001589473120 986971346 /nfs/dbraw/zinc/97/13/46/986971346.db2.gz WPMJFAMNWRKIMH-UDIARPCQSA-N -1 0 347.358 3.634 20 0 EHADRM C/C=C/c1ccc(OC(=O)Cc2ccccc2C(=O)[O-])c(OC)c1 ZINC001594689057 987073366 /nfs/dbraw/zinc/07/33/66/987073366.db2.gz MPNHXQCSJOAUGY-ZZXKWVIFSA-N -1 0 326.348 3.575 20 0 EHADRM C/C=C\COc1cccc(CC(=O)Nc2sc(C)cc2C(=O)[O-])c1 ZINC001594689386 987075405 /nfs/dbraw/zinc/07/54/05/987075405.db2.gz QNBRCENKXCEDCN-ARJAWSKDSA-N -1 0 345.420 3.891 20 0 EHADRM CCOc1nc(Nc2ccc(C(C)(C)C(=O)[O-])cc2)ncc1Cl ZINC001597193864 987082557 /nfs/dbraw/zinc/08/25/57/987082557.db2.gz QTGZEPZGMASZLQ-UHFFFAOYSA-N -1 0 335.791 3.635 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NCCc2cccc(Cl)c2)cc1 ZINC001589511913 987144231 /nfs/dbraw/zinc/14/42/31/987144231.db2.gz FLPGVGATFMGLIN-GFCCVEGCSA-N -1 0 346.814 3.892 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)C2CC(O)(CCC(C)(C)C)C2)c1 ZINC001589523453 987189600 /nfs/dbraw/zinc/18/96/00/987189600.db2.gz ZBGPWWCHZYEFDI-LMVFOVOHSA-N -1 0 347.455 3.781 20 0 EHADRM CCC(=O)c1cc(C(=O)NC2(CCC(=O)[O-])CCCCC2)ccc1F ZINC001594718133 987198197 /nfs/dbraw/zinc/19/81/97/987198197.db2.gz QWBKHDDQYPDYIL-UHFFFAOYSA-N -1 0 349.402 3.716 20 0 EHADRM CCC(=O)c1cc(C(=O)Nc2c(F)cccc2C(=O)[O-])ccc1F ZINC001594718115 987198308 /nfs/dbraw/zinc/19/83/08/987198308.db2.gz QJNMFJOWUOGESP-UHFFFAOYSA-N -1 0 333.290 3.508 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cccc(OC(F)F)c2)c1 ZINC001589532902 987219905 /nfs/dbraw/zinc/21/99/05/987219905.db2.gz VLWPPZUHCSQFQK-JTQLQIEISA-N -1 0 335.306 3.728 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001594728694 987236452 /nfs/dbraw/zinc/23/64/52/987236452.db2.gz IYUPLXFJFYIASF-DDTOSNHZSA-N -1 0 345.361 3.815 20 0 EHADRM CCS[C@H]1CCC[C@H]1NC(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001597255697 987255705 /nfs/dbraw/zinc/25/57/05/987255705.db2.gz FLIFSWRCLMLMGZ-MNOVXSKESA-N -1 0 342.486 3.859 20 0 EHADRM C[C@H](C(=O)OCc1occc1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001589545775 987265563 /nfs/dbraw/zinc/26/55/63/987265563.db2.gz ADRKTFKIAUIKNZ-VIFPVBQESA-N -1 0 342.269 3.844 20 0 EHADRM C[C@@H](C(=O)O[C@@H](C)c1ccc(C(=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC001589546369 987268361 /nfs/dbraw/zinc/26/83/61/987268361.db2.gz HPUTZAALZNNGFJ-NEPJUHHUSA-N -1 0 342.347 3.521 20 0 EHADRM CCS[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001597258834 987273800 /nfs/dbraw/zinc/27/38/00/987273800.db2.gz WNYPDRTTZCVINV-LSDHHAIUSA-N -1 0 336.457 3.879 20 0 EHADRM CCSCC[C@@H](C)NC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001597259373 987280234 /nfs/dbraw/zinc/28/02/34/987280234.db2.gz SVZLVIBJPRKCLF-SNVBAGLBSA-N -1 0 335.429 3.519 20 0 EHADRM CCSCc1ccc(C(=O)Nc2cc(C)c(C(=O)[O-])cn2)cc1 ZINC001597265141 987294934 /nfs/dbraw/zinc/29/49/34/987294934.db2.gz JYHPGVXZGJPXHG-UHFFFAOYSA-N -1 0 330.409 3.594 20 0 EHADRM CCSc1cccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC001597273425 987328884 /nfs/dbraw/zinc/32/88/84/987328884.db2.gz UYARTGYVPMIKPZ-MRXNPFEDSA-N -1 0 347.411 3.884 20 0 EHADRM CC(C)(C(=O)Nc1ccc(F)c(C(=O)[O-])c1F)c1ccccc1F ZINC001589576029 987353678 /nfs/dbraw/zinc/35/36/78/987353678.db2.gz GAGWKFOSNVABNZ-UHFFFAOYSA-N -1 0 337.297 3.718 20 0 EHADRM CC(C)(C(=O)Nc1cc(C(=O)[O-])cc2cccnc21)c1ccccc1 ZINC001589581022 987361555 /nfs/dbraw/zinc/36/15/55/987361555.db2.gz VZEDBHPVYVSWFN-UHFFFAOYSA-N -1 0 334.375 3.849 20 0 EHADRM CC[C@@H](c1ccccc1F)n1cc(-c2nc(C(=O)[O-])sc2C)nn1 ZINC001597292958 987388696 /nfs/dbraw/zinc/38/86/96/987388696.db2.gz ADLHHVRBFMWVGZ-ZDUSSCGKSA-N -1 0 346.387 3.547 20 0 EHADRM CC[C@@H]1CC[C@H](C)N(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)C1 ZINC001597296437 987395945 /nfs/dbraw/zinc/39/59/45/987395945.db2.gz RSQPRWXNMRFYSM-QLFBSQMISA-N -1 0 332.444 3.992 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1cccc(NCC(C)(C)C)c1C)C(=O)[O-] ZINC001597321624 987449207 /nfs/dbraw/zinc/44/92/07/987449207.db2.gz ZFJMIWGIZGFXAK-LRDDRELGSA-N -1 0 334.460 3.682 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)NC[C@@H]2CCC=CCCC2)C1 ZINC001589610331 987457479 /nfs/dbraw/zinc/45/74/79/987457479.db2.gz QBULRDWZBITKEW-CVEARBPZSA-N -1 0 336.476 3.655 20 0 EHADRM CCc1[nH]c(C(=O)N[C@H](C)[C@H]2CC3CCC2CC3)c(C)c1C(=O)[O-] ZINC001597364584 987534812 /nfs/dbraw/zinc/53/48/12/987534812.db2.gz WLBDVFWUWAHVOX-BLYZHGLHSA-N -1 0 332.444 3.528 20 0 EHADRM CCc1[nH]c(C(=O)N[C@H]2CC(C)(C)c3ccccc32)c(C)c1C(=O)[O-] ZINC001597366493 987537894 /nfs/dbraw/zinc/53/78/94/987537894.db2.gz FORPWINMGYLDGH-HNNXBMFYSA-N -1 0 340.423 3.736 20 0 EHADRM CCc1[nH]c(C(=O)N[C@H]2CCC[C@H]2CCC(C)C)c(C)c1C(=O)[O-] ZINC001597367321 987541197 /nfs/dbraw/zinc/54/11/97/987541197.db2.gz QFXYKHJFJHYIPX-ZFWWWQNUSA-N -1 0 334.460 3.918 20 0 EHADRM CCc1[nH]c(CN2CCc3c2cccc3C(F)(F)F)cc1C(=O)[O-] ZINC001597387237 987614015 /nfs/dbraw/zinc/61/40/15/987614015.db2.gz YCLKJEYYAFWNMF-UHFFFAOYSA-N -1 0 338.329 3.857 20 0 EHADRM CCc1c2ccccc2oc1C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC001597406318 987681055 /nfs/dbraw/zinc/68/10/55/987681055.db2.gz PFVIBJJJRKJQIA-AWEZNQCLSA-N -1 0 329.377 3.612 20 0 EHADRM CCc1c(C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])ccn1C ZINC001597413178 987710117 /nfs/dbraw/zinc/71/01/17/987710117.db2.gz YAKNHUNTMKCHHR-UHFFFAOYSA-N -1 0 334.441 3.897 20 0 EHADRM CC(C)(C(=O)OCc1cc(Br)ccc1C(=O)[O-])C1CC1 ZINC001589681526 987713230 /nfs/dbraw/zinc/71/32/30/987713230.db2.gz VQZQASARSVRBCC-UHFFFAOYSA-N -1 0 341.201 3.627 20 0 EHADRM CC(C)(C)C(=O)CCCC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001589685624 987727096 /nfs/dbraw/zinc/72/70/96/987727096.db2.gz ASIRUDGHWKQOAO-UHFFFAOYSA-N -1 0 343.782 3.901 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)CCc1ccc(Cl)c(Cl)c1 ZINC001589699876 987788648 /nfs/dbraw/zinc/78/86/48/987788648.db2.gz HRCHNNVNJTXDAP-ZDUSSCGKSA-N -1 0 346.254 3.932 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)/C=C/c1ccsc1C(F)(F)F ZINC001589700386 987791056 /nfs/dbraw/zinc/79/10/56/987791056.db2.gz KJSIFAKBTUBOKU-ORAHPGNNSA-N -1 0 349.374 3.786 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)/C=C/c1ccc(F)c2ccccc12 ZINC001589701209 987795686 /nfs/dbraw/zinc/79/56/86/987795686.db2.gz UYVLXQZLOXHDOB-QXLXQBSBSA-N -1 0 343.398 3.998 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)[C@@H](C)Cc2ccc(F)cc2)s1 ZINC001597441098 987801878 /nfs/dbraw/zinc/80/18/78/987801878.db2.gz QIKORIFJGYUBLR-JTQLQIEISA-N -1 0 335.400 3.965 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2cc(C)c(OC)c(C)c2)s1 ZINC001597443939 987811907 /nfs/dbraw/zinc/81/19/07/987811907.db2.gz VRBJFACEUQQHKZ-UHFFFAOYSA-N -1 0 333.409 3.886 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2cc(SC)oc2C)s1 ZINC001597443910 987812037 /nfs/dbraw/zinc/81/20/37/987812037.db2.gz UZHOPGWLDKLVKB-UHFFFAOYSA-N -1 0 325.411 3.884 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2ccc3c(c2)C[C@@H](C)O3)s1 ZINC001597445185 987815803 /nfs/dbraw/zinc/81/58/03/987815803.db2.gz HIIIBGFRADLCMT-SECBINFHSA-N -1 0 331.393 3.584 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCC(C2CCC2)CC1 ZINC001597452322 987848397 /nfs/dbraw/zinc/84/83/97/987848397.db2.gz GDQOBPNPVMFFKB-UHFFFAOYSA-N -1 0 330.428 3.991 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC001597464977 987901385 /nfs/dbraw/zinc/90/13/85/987901385.db2.gz NVYZFDLZXRHKSK-UHFFFAOYSA-N -1 0 327.167 3.834 20 0 EHADRM CC(C)(C)C1CC(C(=O)NCCc2cc3ccc(C(=O)[O-])cc3o2)C1 ZINC001589726188 987905773 /nfs/dbraw/zinc/90/57/73/987905773.db2.gz CZLNHAFVRWRYSD-UHFFFAOYSA-N -1 0 343.423 3.862 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1ncc(Cl)cc1Cl ZINC001597466468 987913926 /nfs/dbraw/zinc/91/39/26/987913926.db2.gz VMWHHJFIYZMKHD-UHFFFAOYSA-N -1 0 339.178 3.901 20 0 EHADRM CCc1cc(C(=O)OCc2cc(C(=O)[O-])ccc2C)cc(Cl)n1 ZINC001597470024 987916759 /nfs/dbraw/zinc/91/67/59/987916759.db2.gz IXQFNJHTYMDXSM-UHFFFAOYSA-N -1 0 333.771 3.661 20 0 EHADRM CC(C)(C)[C@@H]1C[C@@H](OC(=O)C23CCC(C(=O)[O-])(CC2)CC3)CCO1 ZINC001589727179 987920785 /nfs/dbraw/zinc/92/07/85/987920785.db2.gz XHTDFGMSVIZLFT-IHWOHKJGSA-N -1 0 338.444 3.549 20 0 EHADRM CC(C)(C)C1CC(c2nc(COc3cccc(C(=O)[O-])c3)no2)C1 ZINC001589727190 987922348 /nfs/dbraw/zinc/92/23/48/987922348.db2.gz XQEPAFHAVICVMD-UHFFFAOYSA-N -1 0 330.384 3.887 20 0 EHADRM CC(C)(C)[C@H]1CCC[C@](NC(=O)CCC(=O)[O-])(C(F)(F)F)CC1 ZINC001589728514 987934169 /nfs/dbraw/zinc/93/41/69/987934169.db2.gz NABJGJFEHDGZOX-XHDPSFHLSA-N -1 0 337.382 3.895 20 0 EHADRM CS[C@@H](CNC(=O)Nc1cc(C(=O)[O-])sc1C)C(C)(C)C ZINC001599787498 987948820 /nfs/dbraw/zinc/94/88/20/987948820.db2.gz RIUMSWPCZXBIRY-NSHDSACASA-N -1 0 330.475 3.654 20 0 EHADRM CS[C@@H]1CCCCN(C(=O)Nc2cc(C(=O)[O-])sc2C)C1 ZINC001599788780 987970935 /nfs/dbraw/zinc/97/09/35/987970935.db2.gz GLPCAFNLGAHZAD-SNVBAGLBSA-N -1 0 328.459 3.504 20 0 EHADRM CC(C)(C)[C@@H]1CN(Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CCO1 ZINC001589735262 987984606 /nfs/dbraw/zinc/98/46/06/987984606.db2.gz PJYJUCHZMBRHTE-SFHVURJKSA-N -1 0 343.423 3.892 20 0 EHADRM CCc1cc(OCC(=O)N(C)c2ccccc2C(=O)[O-])ccc1Cl ZINC001597487488 987992304 /nfs/dbraw/zinc/99/23/04/987992304.db2.gz MIHPPDDIYOCVBR-UHFFFAOYSA-N -1 0 347.798 3.642 20 0 EHADRM CCc1cc2c(nc(C)nc2N2CCC[C@H](C(C)(C)C(=O)[O-])C2)s1 ZINC001597489173 988008219 /nfs/dbraw/zinc/00/82/19/988008219.db2.gz BCUFFJGNROGQFM-LBPRGKRZSA-N -1 0 347.484 3.889 20 0 EHADRM CCc1cc2c(ncnc2NC[C@H](C(=O)[O-])c2ccc(F)cc2)s1 ZINC001597490041 988015928 /nfs/dbraw/zinc/01/59/28/988015928.db2.gz YLHVPOSKFKTZBE-AWEZNQCLSA-N -1 0 345.399 3.673 20 0 EHADRM CCc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1CC ZINC001597500419 988055788 /nfs/dbraw/zinc/05/57/88/988055788.db2.gz MATGZKKQHFSZIM-HNNXBMFYSA-N -1 0 331.437 3.819 20 0 EHADRM CC(C)(C)C[C@@H](O)CC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001589756588 988066429 /nfs/dbraw/zinc/06/64/29/988066429.db2.gz AUHPIVMHIQRWDM-AWEZNQCLSA-N -1 0 329.396 3.664 20 0 EHADRM CCc1ccc(C(=O)[O-])c(OC(=O)c2sc([C@H](C)OC)nc2C)c1 ZINC001597506757 988078229 /nfs/dbraw/zinc/07/82/29/988078229.db2.gz KXANLIRYECUDHA-JTQLQIEISA-N -1 0 349.408 3.639 20 0 EHADRM CCc1ccc([C@@H](COC)N[C@H]2CCCc3ccc(C(=O)[O-])cc32)o1 ZINC001597513616 988114406 /nfs/dbraw/zinc/11/44/06/988114406.db2.gz YNCVOXDFCKHJRP-ZWKOTPCHSA-N -1 0 343.423 3.895 20 0 EHADRM CSCCCCCCC(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001599797286 988118137 /nfs/dbraw/zinc/11/81/37/988118137.db2.gz DJMNAKPRRPEZQI-UHFFFAOYSA-N -1 0 344.502 3.757 20 0 EHADRM CSCCc1ccc(NC(=O)/C=C/c2cc(C(=O)[O-])co2)cc1 ZINC001599801417 988183143 /nfs/dbraw/zinc/18/31/43/988183143.db2.gz FXMCDJOEIPBDAO-VOTSOKGWSA-N -1 0 331.393 3.535 20 0 EHADRM CSCCc1ccccc1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC001599802276 988196554 /nfs/dbraw/zinc/19/65/54/988196554.db2.gz ULVWKAGGKHQCCL-UHFFFAOYSA-N -1 0 333.384 3.682 20 0 EHADRM CSCCc1ccccc1NC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001599802353 988197763 /nfs/dbraw/zinc/19/77/63/988197763.db2.gz ZNDCFHNCKUFMLQ-UHFFFAOYSA-N -1 0 329.421 3.851 20 0 EHADRM CSCc1cc(C(=O)Nc2c(C)ccc(C(=O)[O-])c2O)ccc1F ZINC001599802492 988200057 /nfs/dbraw/zinc/20/00/57/988200057.db2.gz NNBZNGLFBLRCGW-UHFFFAOYSA-N -1 0 349.383 3.653 20 0 EHADRM CSCc1ccc(CNC(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC001599802593 988200998 /nfs/dbraw/zinc/20/09/98/988200998.db2.gz NZSLCBGYIGDCBN-UHFFFAOYSA-N -1 0 344.436 3.878 20 0 EHADRM CSCc1ccccc1NC(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-] ZINC001599805392 988247006 /nfs/dbraw/zinc/24/70/06/988247006.db2.gz YEOSYZLFUWZQAM-HIFRSBDPSA-N -1 0 336.457 3.705 20 0 EHADRM CSc1c(F)cc(NC(=O)c2ccc(/C=C/C(=O)[O-])o2)cc1F ZINC001599805884 988255042 /nfs/dbraw/zinc/25/50/42/988255042.db2.gz BNQVBWKPGWNACT-HWKANZROSA-N -1 0 339.319 3.630 20 0 EHADRM CSc1cc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c(C)o1 ZINC001599806552 988265327 /nfs/dbraw/zinc/26/53/27/988265327.db2.gz JEKNOCCXWFTQBS-HNNXBMFYSA-N -1 0 347.436 3.892 20 0 EHADRM CCc1ccc(NC(=O)c2cccc3c2OC(C)(C)C3)c(C(=O)[O-])c1 ZINC001597550766 988269221 /nfs/dbraw/zinc/26/92/21/988269221.db2.gz LXVLSRNMHDGAHE-UHFFFAOYSA-N -1 0 339.391 3.913 20 0 EHADRM CCc1ccc(NC(=O)c2ccc(OC)c(OC)c2C)c(C(=O)[O-])c1 ZINC001597551341 988274163 /nfs/dbraw/zinc/27/41/63/988274163.db2.gz YJACZMDMHIXTQS-UHFFFAOYSA-N -1 0 343.379 3.525 20 0 EHADRM CCc1ccc(OCC(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])cc1 ZINC001597555865 988284840 /nfs/dbraw/zinc/28/48/40/988284840.db2.gz BWWSEZPJGRFWPJ-UHFFFAOYSA-N -1 0 347.798 3.927 20 0 EHADRM CSc1cc(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])ccc1Cl ZINC001599809307 988306509 /nfs/dbraw/zinc/30/65/09/988306509.db2.gz AVWGSLOBGXMSTO-JTQLQIEISA-N -1 0 344.864 3.930 20 0 EHADRM CSc1cc(NC(=O)NCC2(C(=O)[O-])CCCCC2)ccc1C ZINC001599809533 988309338 /nfs/dbraw/zinc/30/93/38/988309338.db2.gz JFLSYECYMOFOIH-UHFFFAOYSA-N -1 0 336.457 3.874 20 0 EHADRM CSc1cc(NC(=O)Nc2cc(C(=O)[O-])n(C)c2)ccc1Cl ZINC001599809498 988309855 /nfs/dbraw/zinc/30/98/55/988309855.db2.gz HOEIKSDYHSZOTC-UHFFFAOYSA-N -1 0 339.804 3.743 20 0 EHADRM CSc1cc(NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)ccn1 ZINC001599809725 988313489 /nfs/dbraw/zinc/31/34/89/988313489.db2.gz NQVSBXZJNJQRMN-UHFFFAOYSA-N -1 0 345.424 3.810 20 0 EHADRM CSc1cc(O)ccc1NC(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC001599809898 988316919 /nfs/dbraw/zinc/31/69/19/988316919.db2.gz SLNFFZBPKNTUSG-UHFFFAOYSA-N -1 0 332.381 3.765 20 0 EHADRM CCc1ccc2c(c1)CCN(C(=O)Nc1cc(C(=O)[O-])sc1C)C2 ZINC001597569735 988339030 /nfs/dbraw/zinc/33/90/30/988339030.db2.gz WCQIIWZGCMVKQH-UHFFFAOYSA-N -1 0 344.436 3.907 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)C[C@@H](C)c1c(C)noc1C ZINC001597571896 988353189 /nfs/dbraw/zinc/35/31/89/988353189.db2.gz IHAOATHTICDCPT-SNVBAGLBSA-N -1 0 330.384 3.684 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)[C@H](C)Oc1cccc(C)c1 ZINC001597575563 988360845 /nfs/dbraw/zinc/36/08/45/988360845.db2.gz ABNALFFGRAZKHT-ZDUSSCGKSA-N -1 0 327.380 3.662 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)C1C[C@H]2CCCC[C@@H](C1)C2=O ZINC001597576600 988367783 /nfs/dbraw/zinc/36/77/83/988367783.db2.gz QQEHNDBGVIGSIX-YIONKMFJSA-N -1 0 343.423 3.671 20 0 EHADRM CSc1ccc(NC(=O)c2cc3ncccc3o2)cc1C(=O)[O-] ZINC001599817677 988454531 /nfs/dbraw/zinc/45/45/31/988454531.db2.gz PRNJCKUKGSLJER-UHFFFAOYSA-N -1 0 328.349 3.500 20 0 EHADRM CSc1ccc(NC(=O)NC[C@H](CC2CCCC2)C(=O)[O-])cc1 ZINC001599818719 988474549 /nfs/dbraw/zinc/47/45/49/988474549.db2.gz KORGYBPVLRIAPL-ZDUSSCGKSA-N -1 0 336.457 3.811 20 0 EHADRM CCc1ccccc1C(=O)N[C@@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21 ZINC001597604617 988482976 /nfs/dbraw/zinc/48/29/76/988482976.db2.gz RFOXCPYQHDBCTN-SZNDQCEHSA-N -1 0 337.419 3.856 20 0 EHADRM CSc1ccc(O[C@H](C)C(=O)OCc2ccccc2C(=O)[O-])cc1 ZINC001599820370 988502375 /nfs/dbraw/zinc/50/23/75/988502375.db2.gz WIUDQMUVBUGFEO-GFCCVEGCSA-N -1 0 346.404 3.617 20 0 EHADRM CSc1ccc([C@H](C)OC(=O)c2c(C)coc2CC(=O)[O-])cc1 ZINC001599820909 988512170 /nfs/dbraw/zinc/51/21/70/988512170.db2.gz HDZNKNZCCREYAZ-NSHDSACASA-N -1 0 334.393 3.855 20 0 EHADRM CSc1ccc([C@H](C)NC(=O)c2ccsc2CC(=O)[O-])cc1 ZINC001599821254 988518163 /nfs/dbraw/zinc/51/81/63/988518163.db2.gz RLGLWVGZGBVXIS-JTQLQIEISA-N -1 0 335.450 3.588 20 0 EHADRM CCc1ccccc1NC(=O)COc1cc(Cl)ccc1C(=O)[O-] ZINC001597614638 988520117 /nfs/dbraw/zinc/52/01/17/988520117.db2.gz GWZQZAOCHHZTRB-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM CSc1cccc(F)c1C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001599823679 988559115 /nfs/dbraw/zinc/55/91/15/988559115.db2.gz HFDOAFLXXOLJET-GFCCVEGCSA-N -1 0 339.432 3.559 20 0 EHADRM CSc1ccsc1C(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC001599826708 988608415 /nfs/dbraw/zinc/60/84/15/988608415.db2.gz UQVUSRWOEIIEBP-ZDUSSCGKSA-N -1 0 335.450 3.643 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)C/C=C/c1cccc(F)c1 ZINC001599831483 988682453 /nfs/dbraw/zinc/68/24/53/988682453.db2.gz AHOHHWQAXBCRDK-WGPYJDKQSA-N -1 0 341.382 3.731 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1ccc2ccccc2c1 ZINC001599832682 988697757 /nfs/dbraw/zinc/69/77/57/988697757.db2.gz YYYDVFNCQXZEJM-HNNXBMFYSA-N -1 0 333.387 3.955 20 0 EHADRM CCc1nc(C(C)C)ccc1COC(=O)Cc1cccc(C(=O)[O-])c1 ZINC001597652558 988698875 /nfs/dbraw/zinc/69/88/75/988698875.db2.gz OXXRKPNQWYUAQL-UHFFFAOYSA-N -1 0 341.407 3.752 20 0 EHADRM CCc1nc(C)c(C(=O)O[C@@H]2CCCc3cc(C(=O)[O-])ccc32)s1 ZINC001597656603 988711739 /nfs/dbraw/zinc/71/17/39/988711739.db2.gz ANERSBHUVQHSEB-CQSZACIVSA-N -1 0 345.420 3.947 20 0 EHADRM CCc1nc(C)cc(N[C@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])n1 ZINC001597661758 988732828 /nfs/dbraw/zinc/73/28/28/988732828.db2.gz UZFXKSBBLUDATL-DOTOQJQBSA-N -1 0 339.439 3.723 20 0 EHADRM C[C@@H](NC(=O)/C=C/c1cc(C(=O)[O-])co1)c1cc(Cl)ccc1F ZINC001599838006 988776712 /nfs/dbraw/zinc/77/67/12/988776712.db2.gz BCYYWRBNPUHTLR-HYYFJVDXSA-N -1 0 337.734 3.661 20 0 EHADRM CCc1nc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)sc1C(=O)[O-] ZINC001597676301 988789834 /nfs/dbraw/zinc/78/98/34/988789834.db2.gz SIRQYTMXSJFMNO-GRYCIOLGSA-N -1 0 336.457 3.949 20 0 EHADRM CCc1[nH]c(=O)c(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])cc1C ZINC001597685797 988843541 /nfs/dbraw/zinc/84/35/41/988843541.db2.gz CRKFVFCEAXUHAC-UHFFFAOYSA-N -1 0 342.395 3.732 20 0 EHADRM C[C@@H](Nc1cccc(C(=O)[O-])n1)c1ccc(Br)cc1F ZINC001599842640 988872170 /nfs/dbraw/zinc/87/21/70/988872170.db2.gz SWMYWEWMMPVLBY-MRVPVSSYSA-N -1 0 339.164 3.855 20 0 EHADRM CC(C)(C)[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C(F)(F)F ZINC000547714695 1015453694 /nfs/dbraw/zinc/45/36/94/1015453694.db2.gz QWUFGEYIQMGUTM-SNVBAGLBSA-N -1 0 347.761 3.734 20 0 EHADRM CCc1nsc(NCc2cccc(-c3nc(C(=O)[O-])cs3)c2)n1 ZINC001597760951 989185179 /nfs/dbraw/zinc/18/51/79/989185179.db2.gz OEPIGSKHAWZAMQ-UHFFFAOYSA-N -1 0 346.437 3.534 20 0 EHADRM CC(C)(C)OC(=O)N1Cc2ccc(N[C@@H]3CC[C@H](C(=O)[O-])C3)cc2C1 ZINC001590105367 989255988 /nfs/dbraw/zinc/25/59/88/989255988.db2.gz GOBRGYUMHMSEPK-SWLSCSKDSA-N -1 0 346.427 3.603 20 0 EHADRM CCc1oc(CN2CCN(c3cccc(Cl)c3)CC2)cc1C(=O)[O-] ZINC001597799640 989384609 /nfs/dbraw/zinc/38/46/09/989384609.db2.gz RYBAKZNFPKUESI-UHFFFAOYSA-N -1 0 348.830 3.516 20 0 EHADRM CCc1oc(CNc2cc(C(=O)[O-])c(C)cc2C)cc1C(=O)OC ZINC001597804461 989406385 /nfs/dbraw/zinc/40/63/85/989406385.db2.gz CAESZGNNEPHUHM-UHFFFAOYSA-N -1 0 331.368 3.556 20 0 EHADRM CCc1oc(CNc2ccc(N3CCCC3=O)c(C)c2)cc1C(=O)[O-] ZINC001597805140 989410561 /nfs/dbraw/zinc/41/05/61/989410561.db2.gz SYKNQDZVJRQPRG-UHFFFAOYSA-N -1 0 342.395 3.588 20 0 EHADRM CCc1oc2ccccc2c1C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC001597808362 989424781 /nfs/dbraw/zinc/42/47/81/989424781.db2.gz YTCNXVJBPBNKAZ-QEJZJMRPSA-N -1 0 341.407 3.853 20 0 EHADRM C[C@@H]1[C@@H](c2cccc(F)c2)OCCN1Cc1ccsc1C(=O)[O-] ZINC001599881754 989493876 /nfs/dbraw/zinc/49/38/76/989493876.db2.gz ZXEYXNPMFDUWBE-ABAIWWIYSA-N -1 0 335.400 3.547 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC001599882848 989508822 /nfs/dbraw/zinc/50/88/22/989508822.db2.gz GVXQLUGOWQGDTD-XEZPLFJOSA-N -1 0 342.222 3.563 20 0 EHADRM Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)c1c([O-])cccc1F ZINC000274848074 1015487457 /nfs/dbraw/zinc/48/74/57/1015487457.db2.gz VECJMARDVZMHGA-CQSZACIVSA-N -1 0 331.391 3.629 20 0 EHADRM CCn1cc(Cl)c(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])n1 ZINC001597893676 989751057 /nfs/dbraw/zinc/75/10/57/989751057.db2.gz MIUAWDGTVTTZLG-UHFFFAOYSA-N -1 0 335.791 3.630 20 0 EHADRM CCn1ccnc1NC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001597916358 989834181 /nfs/dbraw/zinc/83/41/81/989834181.db2.gz KEHGIZSHUHMHCU-UHFFFAOYSA-N -1 0 335.363 3.521 20 0 EHADRM CC(C)(C)Oc1cc(F)ccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001590408126 989939275 /nfs/dbraw/zinc/93/92/75/989939275.db2.gz LHCUNTIUXTZHOB-QWHCGFSZSA-N -1 0 337.391 3.833 20 0 EHADRM CC(C)(C)Oc1ccccc1NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001590419560 989960245 /nfs/dbraw/zinc/96/02/45/989960245.db2.gz CJUUIYKOMNQUQJ-AWEZNQCLSA-N -1 0 348.443 3.973 20 0 EHADRM CC(C)(C)[C@H](Nc1nc2cccc(OC(F)F)c2s1)C(=O)[O-] ZINC001590451752 990015198 /nfs/dbraw/zinc/01/51/98/990015198.db2.gz QDOSONZWJFODBC-SNVBAGLBSA-N -1 0 330.356 3.809 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)[C@@H]2C[C@H]2c2cccnc2)s1 ZINC001590463019 990035729 /nfs/dbraw/zinc/03/57/29/990035729.db2.gz AKOGQJXRTKMVPK-NWDGAFQWSA-N -1 0 344.436 3.881 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)c2coc(C3CC3)n2)s1 ZINC001590464186 990041306 /nfs/dbraw/zinc/04/13/06/990041306.db2.gz XSIRWDNUXDHXDO-UHFFFAOYSA-N -1 0 334.397 3.862 20 0 EHADRM CC(C)(C)c1ccc(-c2nnc(SCC3(C(=O)[O-])CC3)o2)cc1 ZINC001590472115 990043687 /nfs/dbraw/zinc/04/36/87/990043687.db2.gz JZBMHCNHWLGMOX-UHFFFAOYSA-N -1 0 332.425 3.991 20 0 EHADRM CC(C)(C)c1ccc(-c2ccc(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)o2)cc1 ZINC001590472471 990044445 /nfs/dbraw/zinc/04/44/45/990044445.db2.gz QRFMBSLVLJLAMR-OTVXOJSOSA-N -1 0 341.407 3.837 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)cc1Cl ZINC001590481493 990073441 /nfs/dbraw/zinc/07/34/41/990073441.db2.gz DSEOZEIIDWAJRG-IATRGZMQSA-N -1 0 349.858 3.867 20 0 EHADRM CC(C)(C)c1ccc(CCC(=O)Nc2ccc(C(=O)[O-])cn2)cc1 ZINC001590484703 990079007 /nfs/dbraw/zinc/07/90/07/990079007.db2.gz CDIHTFKKKOCPCG-UHFFFAOYSA-N -1 0 326.396 3.649 20 0 EHADRM CC(C)(C)c1ccc(C[C@@]2(C)CCCN2C(=O)[C@H]2C[C@H]2C(=O)[O-])cc1 ZINC001590484896 990080095 /nfs/dbraw/zinc/08/00/95/990080095.db2.gz IJLPOPCJYXJNRG-CSODHUTKSA-N -1 0 343.467 3.628 20 0 EHADRM CC(C)(C)c1nc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)co1 ZINC001590537189 990152441 /nfs/dbraw/zinc/15/24/41/990152441.db2.gz DAKDMNZUFYLLNB-UHFFFAOYSA-N -1 0 348.424 3.542 20 0 EHADRM CC(C)(C)c1nc(NC(=O)c2cc(F)cc(F)c2)sc1C(=O)[O-] ZINC001590544811 990176546 /nfs/dbraw/zinc/17/65/46/990176546.db2.gz JQSUJEYJCWRMAG-UHFFFAOYSA-N -1 0 340.351 3.669 20 0 EHADRM CC(C)(C)c1nc(NC(=O)CC2CCSCC2)sc1C(=O)[O-] ZINC001590544858 990176729 /nfs/dbraw/zinc/17/67/29/990176729.db2.gz KNAINAOUUSJRRK-UHFFFAOYSA-N -1 0 342.486 3.611 20 0 EHADRM CC(C)(C)c1nc(NC(=O)c2cc3c([nH]2)CCCC3)sc1C(=O)[O-] ZINC001590544910 990177725 /nfs/dbraw/zinc/17/77/25/990177725.db2.gz LMYDRRANVXJQAB-UHFFFAOYSA-N -1 0 347.440 3.598 20 0 EHADRM CC(C)(C)c1nc(NC(=O)c2ccc(CF)cc2)sc1C(=O)[O-] ZINC001590544882 990177754 /nfs/dbraw/zinc/17/77/54/990177754.db2.gz LBKKUGPKLXMSQV-UHFFFAOYSA-N -1 0 336.388 3.861 20 0 EHADRM CC(C)(C)c1ncc(/C=C/C(=O)O[C@@H]2CCC[C@@H](C(=O)[O-])C2)s1 ZINC001590555926 990193754 /nfs/dbraw/zinc/19/37/54/990193754.db2.gz DATOAPVNYXGEIC-IDDPWSFUSA-N -1 0 337.441 3.640 20 0 EHADRM CC(C)(C)c1ncc(COC(=O)c2ccc(C(=O)[O-])s2)s1 ZINC001590556341 990195708 /nfs/dbraw/zinc/19/57/08/990195708.db2.gz NPWHBNNDOBGOHQ-UHFFFAOYSA-N -1 0 325.411 3.557 20 0 EHADRM CN(C(=O)Cc1cc2cc(Cl)ccc2[nH]1)C1(C(=O)[O-])CCCCC1 ZINC001598034878 990261457 /nfs/dbraw/zinc/26/14/57/990261457.db2.gz XKZYYOWZGUQIIU-UHFFFAOYSA-N -1 0 348.830 3.610 20 0 EHADRM CN(C(=O)Nc1cc(C(=O)[O-])ccn1)C1CCC(C(C)(C)C)CC1 ZINC001598056498 990316017 /nfs/dbraw/zinc/31/60/17/990316017.db2.gz MXZXJYFRTSSPMG-UHFFFAOYSA-N -1 0 333.432 3.848 20 0 EHADRM CN(C(=O)Nc1cc(-c2ccncc2)sc1C(=O)[O-])C1CCCC1 ZINC001598056930 990321280 /nfs/dbraw/zinc/32/12/80/990321280.db2.gz YGHRHDBSVCEVSN-UHFFFAOYSA-N -1 0 345.424 3.915 20 0 EHADRM CC(C)(CC(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1)C(F)(F)F ZINC001590648738 990334040 /nfs/dbraw/zinc/33/40/40/990334040.db2.gz DJYVDVFQXXKKOF-LLVKDONJSA-N -1 0 338.709 3.988 20 0 EHADRM CC(C)(CC(=O)O[C@@H]1CCC[C@H](C(=O)[O-])C1)CC(=O)c1ccccc1 ZINC001590648970 990335597 /nfs/dbraw/zinc/33/55/97/990335597.db2.gz NHPSZWJESYFCSC-JKSUJKDBSA-N -1 0 346.423 3.862 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1 ZINC001590660982 990360120 /nfs/dbraw/zinc/36/01/20/990360120.db2.gz RZIPULFWOFYRFE-UHFFFAOYSA-N -1 0 334.803 3.708 20 0 EHADRM CC(C)(CCNC(=O)C1(Cc2cccs2)CCCCC1)C(=O)[O-] ZINC001590670324 990369183 /nfs/dbraw/zinc/36/91/83/990369183.db2.gz IVNPPEXJSRUUOE-UHFFFAOYSA-N -1 0 337.485 3.858 20 0 EHADRM CC(=O)Nc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2[O-])cc1 ZINC000179723080 1015560553 /nfs/dbraw/zinc/56/05/53/1015560553.db2.gz HAMHJZSPIMJNLV-JXMROGBWSA-N -1 0 330.771 3.656 20 0 EHADRM CC(C)(CCNC(=O)c1ccccc1CCC(=O)[O-])c1ccccc1 ZINC001590685143 990399426 /nfs/dbraw/zinc/39/94/26/990399426.db2.gz BCXREKBGUPURQV-UHFFFAOYSA-N -1 0 339.435 3.802 20 0 EHADRM CN(C(=O)c1ccc(OCC(=O)[O-])cc1)c1cccc2ccccc21 ZINC001598088108 990422548 /nfs/dbraw/zinc/42/25/48/990422548.db2.gz ZGCPEFJUEHUKIN-UHFFFAOYSA-N -1 0 335.359 3.580 20 0 EHADRM CC(C)(CNC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1)CC(=O)[O-] ZINC001590717915 990487571 /nfs/dbraw/zinc/48/75/71/990487571.db2.gz ZWRXHJCMIBMEOI-CQSZACIVSA-N -1 0 338.835 3.687 20 0 EHADRM CC(C)(CNC(=O)N[C@@H]1CCC(C)(C)c2ccccc21)CC(=O)[O-] ZINC001590723708 990505080 /nfs/dbraw/zinc/50/50/80/990505080.db2.gz AUPWUQYGAOGYLP-OAHLLOKOSA-N -1 0 332.444 3.599 20 0 EHADRM CC(C)(CNC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])C1CCC1 ZINC001590724126 990510304 /nfs/dbraw/zinc/51/03/04/990510304.db2.gz SKWLIRUSTGARBN-MRXNPFEDSA-N -1 0 346.471 3.964 20 0 EHADRM CC(C)(C)[C@H]1CCc2sc(C(=O)NCC(C)(C)C(=O)[O-])cc2C1 ZINC001590749045 990547167 /nfs/dbraw/zinc/54/71/67/990547167.db2.gz CDMAEBRAUPVKRW-LBPRGKRZSA-N -1 0 337.485 3.740 20 0 EHADRM CC(C)(CNc1ncnc2scc(-c3cccs3)c21)C(=O)[O-] ZINC001590779846 990589594 /nfs/dbraw/zinc/58/95/94/990589594.db2.gz BPCAZRQDQQRIIX-UHFFFAOYSA-N -1 0 333.438 3.943 20 0 EHADRM CC(C)(NCc1cc(Cl)nc2ccccc12)c1cc(C(=O)[O-])on1 ZINC001590871446 990778282 /nfs/dbraw/zinc/77/82/82/990778282.db2.gz VWQCFARGOLFNBX-UHFFFAOYSA-N -1 0 345.786 3.599 20 0 EHADRM CC(C)(NCc1csc(C2CCCC2)n1)c1cc(C(=O)[O-])on1 ZINC001590872639 990780740 /nfs/dbraw/zinc/78/07/40/990780740.db2.gz KYZXWNKIWNPIDI-UHFFFAOYSA-N -1 0 335.429 3.512 20 0 EHADRM COc1cccc([C@H](NC(=O)c2cccc(C3CCC3)c2)C(=O)[O-])c1 ZINC001599686072 990990472 /nfs/dbraw/zinc/99/04/72/990990472.db2.gz AIAPCEUBJPBCAB-SFHVURJKSA-N -1 0 339.391 3.518 20 0 EHADRM COc1cccc2c1CC[C@@H](Nc1ccc3c(C(=O)[O-])c[nH]c3c1)C2 ZINC001599689752 991048696 /nfs/dbraw/zinc/04/86/96/991048696.db2.gz MMFHRUJBXFLRFT-CYBMUJFWSA-N -1 0 336.391 3.844 20 0 EHADRM COc1cccc2c1CC[C@H]2OC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001599690654 991063584 /nfs/dbraw/zinc/06/35/84/991063584.db2.gz OGOMDGIXWGCQMS-MRXNPFEDSA-N -1 0 332.396 3.651 20 0 EHADRM COc1cccc2c1CC[C@@H]2OC(=O)CCc1ccccc1C(=O)[O-] ZINC001599690744 991064911 /nfs/dbraw/zinc/06/49/11/991064911.db2.gz RNOHAEUNGZIRDI-SFHVURJKSA-N -1 0 340.375 3.557 20 0 EHADRM CC(C)[C@@H](C)N(C)C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001590974522 991111923 /nfs/dbraw/zinc/11/19/23/991111923.db2.gz QINCSSFBICEUOE-CQSZACIVSA-N -1 0 347.459 3.883 20 0 EHADRM CC(C)[C@H](CC(=O)NCC1(CC(=O)[O-])CCCC1)c1ccccc1 ZINC001590976194 991122826 /nfs/dbraw/zinc/12/28/26/991122826.db2.gz LGZRCCUIWKZTLY-KRWDZBQOSA-N -1 0 331.456 3.968 20 0 EHADRM COc1ccccc1-c1nnc(SC[C@@H]2CCCC[C@H]2C(=O)[O-])o1 ZINC001599694960 991134104 /nfs/dbraw/zinc/13/41/04/991134104.db2.gz SJIGBTFAQVQOMU-NWDGAFQWSA-N -1 0 348.424 3.728 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001599698416 991183017 /nfs/dbraw/zinc/18/30/17/991183017.db2.gz ZESUWEIPAQNSDU-XYELWLDHSA-N -1 0 345.439 3.638 20 0 EHADRM CC(C)[C@@H](Sc1ncccc1C(=O)[O-])C(=O)N(C)c1ccccc1 ZINC001591052611 991460765 /nfs/dbraw/zinc/46/07/65/991460765.db2.gz UNQDVIPCTOGUQS-OAHLLOKOSA-N -1 0 344.436 3.560 20 0 EHADRM CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001591057761 991468531 /nfs/dbraw/zinc/46/85/31/991468531.db2.gz IUTMIOLPGZXFSO-HLIPFELVSA-N -1 0 325.408 3.764 20 0 EHADRM CC(C)C1(CNC(=O)NC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)CC1 ZINC001591060590 991488138 /nfs/dbraw/zinc/48/81/38/991488138.db2.gz ONSNEWHVJLQYDL-INIZCTEOSA-N -1 0 344.455 3.540 20 0 EHADRM CC(C)[C@]1(C)C[C@@H]1NC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001591060941 991495517 /nfs/dbraw/zinc/49/55/17/991495517.db2.gz BUGSPEDBYVOQPR-NHYWBVRUSA-N -1 0 328.771 3.733 20 0 EHADRM CC(C)[C@H]1C[C@H](CNc2ncc(C(=O)[O-])cc2C(F)(F)F)CCO1 ZINC001591074336 991550085 /nfs/dbraw/zinc/55/00/85/991550085.db2.gz IOBRWYPQKUBIKH-ZWNOBZJWSA-N -1 0 346.349 3.662 20 0 EHADRM CC(C)[C@H]1CCC[C@@](NC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)(C(F)(F)F)CC1 ZINC001591089291 991631113 /nfs/dbraw/zinc/63/11/13/991631113.db2.gz UORSYSATMPPOSC-JFILPPLUSA-N -1 0 349.393 3.751 20 0 EHADRM CC(C)[C@H]1CCc2ccccc2N1C(=O)c1ccoc1CC(=O)[O-] ZINC001591094044 991667015 /nfs/dbraw/zinc/66/70/15/991667015.db2.gz FQXLESHNGWNWHI-OAHLLOKOSA-N -1 0 327.380 3.524 20 0 EHADRM CC(C)C[C@@H](C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001591118204 991781424 /nfs/dbraw/zinc/78/14/24/991781424.db2.gz NPFJMTWOAFJIRL-GXTWGEPZSA-N -1 0 346.452 3.848 20 0 EHADRM CC(C)C[C@@H](C)CC(=O)N1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001591132651 991830818 /nfs/dbraw/zinc/83/08/18/991830818.db2.gz CGANSRBKBNNSSC-OLZOCXBDSA-N -1 0 338.473 3.620 20 0 EHADRM CC(C)C[C@H](C)OC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001591139008 991862375 /nfs/dbraw/zinc/86/23/75/991862375.db2.gz XADWDDJMPZWUDK-XJKSGUPXSA-N -1 0 333.428 3.966 20 0 EHADRM CC(C)CC(CC(C)C)C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001591143815 991873216 /nfs/dbraw/zinc/87/32/16/991873216.db2.gz VQRNMHZFMRCOJA-GOSISDBHSA-N -1 0 331.456 3.905 20 0 EHADRM C[S@](=O)(=NC(=O)c1cc(C(=O)[O-])ccc1Cl)C1CCCCC1 ZINC001599744221 991905974 /nfs/dbraw/zinc/90/59/74/991905974.db2.gz YUPOFUWTHGPFRW-JOCHJYFZSA-N -1 0 343.832 3.609 20 0 EHADRM CC(C)C[C@@]1(C)CCCN1C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001591191797 992005557 /nfs/dbraw/zinc/00/55/57/992005557.db2.gz GRYUNPGTCPNNAB-LJQANCHMSA-N -1 0 347.459 3.883 20 0 EHADRM CC(C)CC1(CNC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])CC1 ZINC001591196650 992012971 /nfs/dbraw/zinc/01/29/71/992012971.db2.gz HRVHJTLNNUEICE-INIZCTEOSA-N -1 0 346.471 3.964 20 0 EHADRM CC(C)CC1(CNC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)CCC1 ZINC001591196925 992014009 /nfs/dbraw/zinc/01/40/09/992014009.db2.gz OCDZHVSIXMUOLZ-UHFFFAOYSA-N -1 0 344.455 3.669 20 0 EHADRM CC(C)C[C@@H]1CCCCCN1C(=O)NCc1ccccc1CC(=O)[O-] ZINC001591206297 992033081 /nfs/dbraw/zinc/03/30/81/992033081.db2.gz QCVHAWVQZXNUKY-SFHVURJKSA-N -1 0 346.471 3.814 20 0 EHADRM CC(C)CC[C@H]1CCCN1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001591229137 992109139 /nfs/dbraw/zinc/10/91/39/992109139.db2.gz VXDLHQQLYAKDRC-QGZVFWFLSA-N -1 0 332.444 3.538 20 0 EHADRM CC(C)CCCCC(=O)N(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001591229881 992115560 /nfs/dbraw/zinc/11/55/60/992115560.db2.gz ZGPCMQSPKZOPIO-MRXNPFEDSA-N -1 0 345.361 3.904 20 0 EHADRM CC(C)CCOC(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC001591252107 992151973 /nfs/dbraw/zinc/15/19/73/992151973.db2.gz UVJWMQIYPUTINW-UHFFFAOYSA-N -1 0 347.333 3.775 20 0 EHADRM CC(C)CCOc1ccc(C(=O)N[C@@H](CC(=O)[O-])C2CCCC2)cc1 ZINC001591260388 992168840 /nfs/dbraw/zinc/16/88/40/992168840.db2.gz WSFHJJZDLMLARJ-SFHVURJKSA-N -1 0 347.455 3.875 20 0 EHADRM CC(C)CN(C(=O)CCc1cnc2ccccc2c1)C(C)(C)C(=O)[O-] ZINC001591281390 992214420 /nfs/dbraw/zinc/21/44/20/992214420.db2.gz NEKYPDKXOHRDRH-UHFFFAOYSA-N -1 0 342.439 3.515 20 0 EHADRM CC(C)CN(C(=O)c1ccc(C(=O)[O-])n1C)c1ccccc1Cl ZINC001591284660 992219323 /nfs/dbraw/zinc/21/93/23/992219323.db2.gz CRCNMKTXFGPLKG-UHFFFAOYSA-N -1 0 334.803 3.680 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC001591291232 992242349 /nfs/dbraw/zinc/24/23/49/992242349.db2.gz VYNFAWTUHANDQR-OLZOCXBDSA-N -1 0 344.238 3.666 20 0 EHADRM CS[C@H](C(=O)N[C@H](CC(=O)[O-])c1cccc(C)c1)c1ccccc1 ZINC001599781219 992366488 /nfs/dbraw/zinc/36/64/88/992366488.db2.gz NQRVRILHVQMFTH-AEFFLSMTSA-N -1 0 343.448 3.731 20 0 EHADRM CS[C@H](C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)c1ccccc1 ZINC001599781660 992372189 /nfs/dbraw/zinc/37/21/89/992372189.db2.gz VBXBPACEVQJMDY-INIZCTEOSA-N -1 0 340.404 3.909 20 0 EHADRM CSC1(C(=O)Oc2ccc3c(c2)c(C(=O)[O-])c(C)n3C2CC2)CC1 ZINC001599782996 992389490 /nfs/dbraw/zinc/38/94/90/992389490.db2.gz BGVXVAMOOHGVMJ-UHFFFAOYSA-N -1 0 345.420 3.784 20 0 EHADRM CC(C)COc1ccccc1C(=O)Nc1ncc(C(=O)[O-])cc1Cl ZINC001591409322 992484224 /nfs/dbraw/zinc/48/42/24/992484224.db2.gz BVWXJUQENCPHDR-UHFFFAOYSA-N -1 0 348.786 3.720 20 0 EHADRM CC(C)COc1ccccc1CNCc1ccc(Cl)c(C(=O)[O-])n1 ZINC001591409816 992486235 /nfs/dbraw/zinc/48/62/35/992486235.db2.gz OZTNFQYOAFSFSS-UHFFFAOYSA-N -1 0 348.830 3.758 20 0 EHADRM CC(C)C[C@H](NC(=O)c1cc(C(C)C)nc2ccccc21)C(=O)[O-] ZINC001591468661 992583046 /nfs/dbraw/zinc/58/30/46/992583046.db2.gz RERQYCHXVCCMJZ-KRWDZBQOSA-N -1 0 328.412 3.587 20 0 EHADRM CC(C)Cc1c[nH]c(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)c1 ZINC001591476027 992592748 /nfs/dbraw/zinc/59/27/48/992592748.db2.gz PPDGVNLIEOTZPK-MRXNPFEDSA-N -1 0 328.412 3.549 20 0 EHADRM CC(C)Cc1c[nH]c(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)c1 ZINC001591476281 992594443 /nfs/dbraw/zinc/59/44/43/992594443.db2.gz VYZCULWUJDIZSJ-UHFFFAOYSA-N -1 0 342.439 3.720 20 0 EHADRM CC(C)Cc1ccc(C(=O)COC(=O)c2cscc2C(=O)[O-])cc1 ZINC001591477150 992597099 /nfs/dbraw/zinc/59/70/99/992597099.db2.gz JQIQJYYNDJIVKB-UHFFFAOYSA-N -1 0 346.404 3.685 20 0 EHADRM CC(C)Cc1ccc(C(=O)N2CCCc3nc(C(=O)[O-])ccc32)s1 ZINC001591477451 992598069 /nfs/dbraw/zinc/59/80/69/992598069.db2.gz SBGXNFXTAXTTON-UHFFFAOYSA-N -1 0 344.436 3.633 20 0 EHADRM CC(C)Cc1ccc(NC(=O)Nc2cccc(CC(=O)[O-])n2)cc1 ZINC001591484153 992608335 /nfs/dbraw/zinc/60/83/35/992608335.db2.gz SPJUKRFEJPWBKF-UHFFFAOYSA-N -1 0 327.384 3.551 20 0 EHADRM CC(C)Cc1ccccc1C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001591488245 992615651 /nfs/dbraw/zinc/61/56/51/992615651.db2.gz CSTJDSCEHSAELV-LLVKDONJSA-N -1 0 332.425 3.531 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)NC[C@H](CC(=O)[O-])C2CC2)c1 ZINC001591488677 992617891 /nfs/dbraw/zinc/61/78/91/992617891.db2.gz IVVXDVJZXMEHFJ-KSSFIOAISA-N -1 0 331.456 3.606 20 0 EHADRM CC(C)Cn1ccc2c1cccc2C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001591521436 992690550 /nfs/dbraw/zinc/69/05/50/992690550.db2.gz JJBSVOWWOZCNOE-UHFFFAOYSA-N -1 0 337.379 3.643 20 0 EHADRM CC(C)Cn1ncc(N[C@H](C)c2cncc(C(=O)[O-])c2)c1C1CC1 ZINC001591533233 992709203 /nfs/dbraw/zinc/70/92/03/992709203.db2.gz DRAQIBWDHIVRMR-GFCCVEGCSA-N -1 0 328.416 3.683 20 0 EHADRM CC(C)N(C)c1ccc(NC(=O)Cc2ccc(C(=O)[O-])cc2)cc1F ZINC001591560697 992758265 /nfs/dbraw/zinc/75/82/65/992758265.db2.gz DLMQLNPXGSYDIV-UHFFFAOYSA-N -1 0 344.386 3.550 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)CC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC001591575486 992786751 /nfs/dbraw/zinc/78/67/51/992786751.db2.gz FWFSKXOUPIQHCY-KRWDZBQOSA-N -1 0 349.471 3.509 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)CC1(CSc2ccccc2)CC1 ZINC001591575514 992786856 /nfs/dbraw/zinc/78/68/56/992786856.db2.gz JAANDMYUIOAQGS-UHFFFAOYSA-N -1 0 335.469 3.661 20 0 EHADRM CN(Cc1csc2ccccc12)C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001598535868 992839691 /nfs/dbraw/zinc/83/96/91/992839691.db2.gz BMMXIUZTYUGGFK-SREVYHEPSA-N -1 0 341.388 3.864 20 0 EHADRM O=C(Nc1ccc2ncccc2c1)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000339842369 1015742908 /nfs/dbraw/zinc/74/29/08/1015742908.db2.gz LUFPGXJLWBBVNV-UHFFFAOYSA-N -1 0 348.337 3.518 20 0 EHADRM O=C([O-])CCN(C(=O)CCCSc1ccc(Cl)cc1)C1CC1 ZINC000238032781 1015777598 /nfs/dbraw/zinc/77/75/98/1015777598.db2.gz OWUGMJZBZQEJIP-UHFFFAOYSA-N -1 0 341.860 3.678 20 0 EHADRM C[C@@H](NC(=O)NCCCCCCC(=O)[O-])C(C)(C)c1ccccc1 ZINC001593094476 993713245 /nfs/dbraw/zinc/71/32/45/993713245.db2.gz KFMKFHRIQOZSTM-OAHLLOKOSA-N -1 0 334.460 3.687 20 0 EHADRM COc1ccc(NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c(F)c1 ZINC001599594331 993729617 /nfs/dbraw/zinc/72/96/17/993729617.db2.gz ONKUONQIFIVJJR-UHFFFAOYSA-N -1 0 346.358 3.841 20 0 EHADRM COc1ccc(NC(=O)NCCCCCCC(=O)[O-])cc1SC ZINC001599594561 993732349 /nfs/dbraw/zinc/73/23/49/993732349.db2.gz WCGZHBBBFVEFMC-UHFFFAOYSA-N -1 0 340.445 3.574 20 0 EHADRM COc1ccc(NC(=O)c2sccc2C(F)F)c(C(=O)[O-])c1 ZINC001599596712 993758151 /nfs/dbraw/zinc/75/81/51/993758151.db2.gz RKHHFWCESYKNCS-UHFFFAOYSA-N -1 0 327.308 3.645 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])s1)c1c(F)cccc1F ZINC001593118000 993821721 /nfs/dbraw/zinc/82/17/21/993821721.db2.gz YOZADLVDABCXFR-SSDOTTSWSA-N -1 0 326.324 3.607 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)C1CCOCC1 ZINC001593118975 993834884 /nfs/dbraw/zinc/83/48/84/993834884.db2.gz VOTOFDDSGBOPCN-SNVBAGLBSA-N -1 0 348.424 3.536 20 0 EHADRM COc1ccc(OC[C@H]2CCCC[C@@H]2C(=O)[O-])c(Br)c1 ZINC001599605278 993876138 /nfs/dbraw/zinc/87/61/38/993876138.db2.gz FWAWOGUVINCHHT-PWSUYJOCSA-N -1 0 343.217 3.728 20 0 EHADRM COc1ccc(OCc2ccc(C(=O)[O-])cc2)c(C(F)(F)F)c1 ZINC001599607170 993901883 /nfs/dbraw/zinc/90/18/83/993901883.db2.gz ZDJJZVZTAHNUBU-UHFFFAOYSA-N -1 0 326.270 3.991 20 0 EHADRM C[C@@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1ccc(-c2ccc(F)cc2)cc1 ZINC001593142447 993935453 /nfs/dbraw/zinc/93/54/53/993935453.db2.gz SUJHTNWWVHZVGZ-OCBCSQNSSA-N -1 0 341.382 3.781 20 0 EHADRM C[C@H](NC(=O)c1ccc(C2CCCC2)cc1)c1ncc(C(=O)[O-])s1 ZINC001593159251 993984245 /nfs/dbraw/zinc/98/42/45/993984245.db2.gz AIXUJNYNMVRORD-NSHDSACASA-N -1 0 344.436 3.990 20 0 EHADRM COc1ccc(S[C@H](C)C(=O)Nc2ccsc2C(=O)[O-])cc1 ZINC001599618216 994045794 /nfs/dbraw/zinc/04/57/94/994045794.db2.gz GZBMTBNLXUPWDE-SECBINFHSA-N -1 0 337.422 3.574 20 0 EHADRM COc1ccc(SCCCC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC001599619617 994062641 /nfs/dbraw/zinc/06/26/41/994062641.db2.gz SZHVUWVKZMOSPU-UHFFFAOYSA-N -1 0 345.420 3.904 20 0 EHADRM C[C@@H](NC(=O)c1csc2ccccc12)c1ncc(C(=O)[O-])s1 ZINC001593190411 994121143 /nfs/dbraw/zinc/12/11/43/994121143.db2.gz ZSMYQCHGVRPFGT-MRVPVSSYSA-N -1 0 332.406 3.547 20 0 EHADRM C[C@H](N[C@H](C(=O)[O-])c1ccc(F)cc1)c1nc(C2CCCCC2)no1 ZINC001593194171 994131236 /nfs/dbraw/zinc/13/12/36/994131236.db2.gz AVGMOSVEUMSLSX-NHYWBVRUSA-N -1 0 347.390 3.733 20 0 EHADRM C[C@@H](N[C@@H](C)c1cc(C(=O)[O-])co1)c1ccccc1OC(F)F ZINC001593197399 994162873 /nfs/dbraw/zinc/16/28/73/994162873.db2.gz JUHHFAVEZGCZFO-ZJUUUORDSA-N -1 0 325.311 3.991 20 0 EHADRM O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)c1cc(F)c(F)c([O-])c1F ZINC000180041909 1015838691 /nfs/dbraw/zinc/83/86/91/1015838691.db2.gz QFJAKOUPLOUIPJ-IUODEOHRSA-N -1 0 349.352 3.951 20 0 EHADRM COc1ccc2c(c1)CCN2C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001599629162 994192337 /nfs/dbraw/zinc/19/23/37/994192337.db2.gz RKMKCKKVKBNUOM-UHFFFAOYSA-N -1 0 346.770 3.641 20 0 EHADRM COc1ccc2cc(NC(=O)N3CCC[C@@](C)(C(=O)[O-])C3)ccc2c1 ZINC001599634223 994263235 /nfs/dbraw/zinc/26/32/35/994263235.db2.gz CDUVTNITKVNEEA-LJQANCHMSA-N -1 0 342.395 3.567 20 0 EHADRM COc1ccc2cc(COC(=O)c3ccc(C(=O)[O-])s3)ccc2c1 ZINC001599634334 994265312 /nfs/dbraw/zinc/26/53/12/994265312.db2.gz JODFBXIZPHPLGY-UHFFFAOYSA-N -1 0 342.372 3.965 20 0 EHADRM COc1ccc2cc(NC(=O)CC3(CC(=O)[O-])CCCC3)ccc2n1 ZINC001599634866 994272290 /nfs/dbraw/zinc/27/22/90/994272290.db2.gz VAKJBWZVQDFTHT-UHFFFAOYSA-N -1 0 342.395 3.607 20 0 EHADRM Cc1cccc2c(CCNC(=O)c3cc(F)c(F)c([O-])c3F)c[nH]c21 ZINC000180062208 1015848131 /nfs/dbraw/zinc/84/81/31/1015848131.db2.gz WUUZDQLRBSRYAL-UHFFFAOYSA-N -1 0 348.324 3.572 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)[C@@H](C)CCc1ccc(F)cc1 ZINC001599645032 994413808 /nfs/dbraw/zinc/41/38/08/994413808.db2.gz WLXZCJMXDQFBMI-LBPRGKRZSA-N -1 0 346.354 3.707 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)[C@H]1CCCc2sccc21 ZINC001599645275 994416608 /nfs/dbraw/zinc/41/66/08/994416608.db2.gz JCAVSFAPNMWASG-LBPRGKRZSA-N -1 0 345.420 3.538 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)CC(C)(C)CC(F)(F)F ZINC001599645810 994423502 /nfs/dbraw/zinc/42/35/02/994423502.db2.gz MUZUWOHBNPOUIH-UHFFFAOYSA-N -1 0 347.333 3.725 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1sc(C(C)C)nc1C ZINC001599645924 994424367 /nfs/dbraw/zinc/42/43/67/994424367.db2.gz JWCFLZQDQZRMCY-UHFFFAOYSA-N -1 0 335.381 3.501 20 0 EHADRM COc1cccc([C@@H](C)NC(=O)Nc2cc(C(=O)[O-])sc2C)c1 ZINC001599657938 994610223 /nfs/dbraw/zinc/61/02/23/994610223.db2.gz RCJNFLREMYWKKA-SECBINFHSA-N -1 0 334.397 3.646 20 0 EHADRM COc1cccc([C@@H](C)c2noc(C34CCC(C(=O)[O-])(CC3)C4)n2)c1 ZINC001599657978 994612006 /nfs/dbraw/zinc/61/20/06/994612006.db2.gz RSTKTHDMDQNEGZ-PIHIASKNSA-N -1 0 342.395 3.517 20 0 EHADRM COc1cccc(C[C@H](C)CC(=O)Nc2cccc(F)c2C(=O)[O-])c1 ZINC001599664146 994702169 /nfs/dbraw/zinc/70/21/69/994702169.db2.gz AWJJEUAHNBIZBB-LBPRGKRZSA-N -1 0 345.370 3.740 20 0 EHADRM COc1cccc([C@H]2C[C@H]2C(=O)OCc2cc(C(=O)[O-])ccc2C)c1 ZINC001599665680 994726658 /nfs/dbraw/zinc/72/66/58/994726658.db2.gz NEDZSZVNPXEABL-QZTJIDSGSA-N -1 0 340.375 3.549 20 0 EHADRM COc1cccc(COC(=O)c2ccccc2S[C@H](C)C(=O)[O-])c1 ZINC001599675306 994886983 /nfs/dbraw/zinc/88/69/83/994886983.db2.gz DUSLXILWNISQAT-GFCCVEGCSA-N -1 0 346.404 3.617 20 0 EHADRM CNc1ccc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)c(Cl)c1 ZINC001598678922 994893550 /nfs/dbraw/zinc/89/35/50/994893550.db2.gz VOIXOBKSJSQMDD-MRXNPFEDSA-N -1 0 346.814 3.718 20 0 EHADRM COc1cccc(Cl)c1CC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC001599677768 994925767 /nfs/dbraw/zinc/92/57/67/994925767.db2.gz VZRLMZWASOAMFE-NSHDSACASA-N -1 0 347.798 3.718 20 0 EHADRM C[C@@H](Nc1ncc(C(=O)[O-])cc1Cl)c1noc(-c2ccccc2)n1 ZINC001593374938 995076111 /nfs/dbraw/zinc/07/61/11/995076111.db2.gz WUIUHEPWDHUGAJ-SECBINFHSA-N -1 0 344.758 3.656 20 0 EHADRM COC(=O)[C@H](N[C@H](C)c1cccc(C)c1C)c1cccc(C(=O)[O-])c1 ZINC001598705819 995284822 /nfs/dbraw/zinc/28/48/22/995284822.db2.gz IAROWBHQLSCRJQ-RDTXWAMCSA-N -1 0 341.407 3.567 20 0 EHADRM COC(=O)[C@H](N[C@H](C)c1cccc(Cl)c1)c1cccc(C(=O)[O-])c1 ZINC001598713835 995380664 /nfs/dbraw/zinc/38/06/64/995380664.db2.gz OURWETQXJXRGCW-BDJLRTHQSA-N -1 0 347.798 3.603 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)c1ccc(Cl)c(F)c1 ZINC000683297019 1015943997 /nfs/dbraw/zinc/94/39/97/1015943997.db2.gz JUYXSTJDPVOUSO-UHFFFAOYSA-N -1 0 335.762 3.596 20 0 EHADRM C[C@@H](OC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1csc(C2CC2)n1 ZINC001593513595 995524533 /nfs/dbraw/zinc/52/45/33/995524533.db2.gz FXBAYRAHIITEDJ-VPIOIWJLSA-N -1 0 333.365 3.629 20 0 EHADRM C[C@H](OC(=O)CSc1ccc(F)c(F)c1)c1cc(C(=O)[O-])co1 ZINC001593534880 995592558 /nfs/dbraw/zinc/59/25/58/995592558.db2.gz JZPIPWIPQKNKGT-QMMMGPOBSA-N -1 0 342.319 3.653 20 0 EHADRM C[C@@H](OC(=O)c1cc(C(=O)[O-])ccc1Cl)c1cccc2c1OCO2 ZINC001593556317 995641146 /nfs/dbraw/zinc/64/11/46/995641146.db2.gz HCMFLSXJVLFCTL-SECBINFHSA-N -1 0 348.738 3.685 20 0 EHADRM C[C@H](OC(=O)c1cc(C(=O)[O-])co1)[C@H](C)c1nc2ccccc2s1 ZINC001593556805 995646814 /nfs/dbraw/zinc/64/68/14/995646814.db2.gz YBGRFDVMVQZMRC-UWVGGRQHSA-N -1 0 345.376 3.937 20 0 EHADRM C[C@H](OC(=O)c1[nH]c2ccccc2c1CC(=O)[O-])c1ccc(F)cc1 ZINC001593562666 995650735 /nfs/dbraw/zinc/65/07/35/995650735.db2.gz HJKPSRIMKWQQQK-NSHDSACASA-N -1 0 341.338 3.852 20 0 EHADRM C[C@H](OC(=O)c1ccc(C(=O)[O-])s1)c1nccn1-c1ccccc1 ZINC001593579023 995692827 /nfs/dbraw/zinc/69/28/27/995692827.db2.gz RITOZCXTEASKKF-NSHDSACASA-N -1 0 342.376 3.550 20 0 EHADRM C[C@H](OC(=O)c1ccc(Cl)nc1Cl)c1ccc(C(=O)[O-])o1 ZINC001593579335 995694496 /nfs/dbraw/zinc/69/44/96/995694496.db2.gz XUWMCADTAIJASY-LURJTMIESA-N -1 0 330.123 3.598 20 0 EHADRM C[C@H](OC(=O)c1cccnc1SC(F)F)c1ccc(C(=O)[O-])o1 ZINC001593591757 995716126 /nfs/dbraw/zinc/71/61/26/995716126.db2.gz KNTAIAGUHQVQTJ-ZETCQYMHSA-N -1 0 343.307 3.606 20 0 EHADRM C[C@@H](OC(=O)c1ccccc1Br)c1ccc(C(=O)[O-])o1 ZINC001593592038 995717572 /nfs/dbraw/zinc/71/75/72/995717572.db2.gz NJOIUVOOKSMMRR-MRVPVSSYSA-N -1 0 339.141 3.658 20 0 EHADRM C[C@H](OC(=O)c1cccc(OCC(=O)[O-])c1)c1cccc(Cl)c1 ZINC001593593874 995728597 /nfs/dbraw/zinc/72/85/97/995728597.db2.gz SJEYHABUORKGBN-NSHDSACASA-N -1 0 334.755 3.721 20 0 EHADRM C[C@H](OCCCNC(=O)CC1(CC(=O)[O-])CCCC1)c1ccccc1 ZINC001593609018 995801471 /nfs/dbraw/zinc/80/14/71/995801471.db2.gz ZWYNAZJGSSCDMH-INIZCTEOSA-N -1 0 347.455 3.696 20 0 EHADRM C[C@@H](Oc1ccc(CN[C@H](c2ccccc2)C(F)F)cc1)C(=O)[O-] ZINC001593617678 995854048 /nfs/dbraw/zinc/85/40/48/995854048.db2.gz MHQCMCINLLGDQW-MLGOLLRUSA-N -1 0 335.350 3.635 20 0 EHADRM C[C@H](Oc1ccccc1C[NH2+]CC1(C(F)(F)F)CCCC1)C(=O)[O-] ZINC001593645156 995970822 /nfs/dbraw/zinc/97/08/22/995970822.db2.gz HYEVLVFKXBKQDC-LBPRGKRZSA-N -1 0 345.361 3.751 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@H](C)Oc2ccccc2Cl)c1 ZINC001593652575 996017634 /nfs/dbraw/zinc/01/76/34/996017634.db2.gz YKOPDCNKGUZDFN-NEPJUHHUSA-N -1 0 347.798 3.934 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC001593661544 996038257 /nfs/dbraw/zinc/03/82/57/996038257.db2.gz FVLGOIUPRROXKR-CQSZACIVSA-N -1 0 335.469 3.554 20 0 EHADRM C[C@@H](SCc1cccc(C(=O)[O-])n1)c1nc(-c2ccccc2)no1 ZINC001593661928 996040517 /nfs/dbraw/zinc/04/05/17/996040517.db2.gz SQTBSOKPCBEFLI-LLVKDONJSA-N -1 0 341.392 3.824 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001593662826 996043576 /nfs/dbraw/zinc/04/35/76/996043576.db2.gz GISNIYKFNUVARQ-LBPRGKRZSA-N -1 0 347.411 3.713 20 0 EHADRM C[C@H](Sc1ccccc1-c1nnc([C@@H]2CCCCO2)o1)C(=O)[O-] ZINC001593668296 996062543 /nfs/dbraw/zinc/06/25/43/996062543.db2.gz PPTDKBAWNNDNDB-JQWIXIFHSA-N -1 0 334.397 3.543 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N[C@@H]1C[C@H]1C1CCCCC1)C(=O)[O-] ZINC001593672196 996073882 /nfs/dbraw/zinc/07/38/82/996073882.db2.gz KHDLFSVIUPKPKU-UHOFOFEASA-N -1 0 347.480 3.950 20 0 EHADRM C[C@@H](Sc1nc(C(=O)[O-])c[nH]1)c1nc2ccccc2n1C(F)F ZINC001593678986 996097118 /nfs/dbraw/zinc/09/71/18/996097118.db2.gz CRKIZHKZHIFBBF-SSDOTTSWSA-N -1 0 338.339 3.706 20 0 EHADRM C[C@@H](Sc1cncc(C(=O)[O-])n1)c1cccc(Br)c1 ZINC001593680112 996106483 /nfs/dbraw/zinc/10/64/83/996106483.db2.gz UAUQCSJDHBCFTO-MRVPVSSYSA-N -1 0 339.214 3.791 20 0 EHADRM C[C@H](c1ccc(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])cc1)C(F)(F)F ZINC001593686417 996123443 /nfs/dbraw/zinc/12/34/43/996123443.db2.gz OOKZIYPELKGBRH-HONMWMINSA-N -1 0 343.345 3.726 20 0 EHADRM C[C@@H](c1ccc(F)c(F)c1)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001593692967 996141778 /nfs/dbraw/zinc/14/17/78/996141778.db2.gz IAZCLZAUSQMBDY-NSHDSACASA-N -1 0 333.334 3.619 20 0 EHADRM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC001593693207 996143182 /nfs/dbraw/zinc/14/31/82/996143182.db2.gz KWSFOVHHWKUCGT-MRVPVSSYSA-N -1 0 340.351 3.949 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001593693506 996145291 /nfs/dbraw/zinc/14/52/91/996145291.db2.gz NBBOQHJNULZHBI-LPEHRKFASA-N -1 0 330.211 3.624 20 0 EHADRM C[C@H](c1ccccc1)N(C(=O)c1ccc(C(=O)[O-])n1C)C1CCCC1 ZINC001593705243 996188886 /nfs/dbraw/zinc/18/88/86/996188886.db2.gz HSAKQHXWZVRWJS-CQSZACIVSA-N -1 0 340.423 3.869 20 0 EHADRM C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001593707769 996203711 /nfs/dbraw/zinc/20/37/11/996203711.db2.gz ZTGUIJZTHLBBAB-DYVFJYSZSA-N -1 0 339.395 3.580 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001593713185 996218963 /nfs/dbraw/zinc/21/89/63/996218963.db2.gz KHTCNLSWLCHFOD-YPMHNXCESA-N -1 0 338.835 3.543 20 0 EHADRM Cc1cc(Cl)c(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)cc1C ZINC000180647799 1016022269 /nfs/dbraw/zinc/02/22/69/1016022269.db2.gz QVXBYWUCHFXCQN-UHFFFAOYSA-N -1 0 343.770 3.552 20 0 EHADRM C[C@@H](c1nnc(-c2ccccc2)o1)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001593737218 996333236 /nfs/dbraw/zinc/33/32/36/996333236.db2.gz FHPTZXNPLQXMPQ-ZDUSSCGKSA-N -1 0 349.390 3.554 20 0 EHADRM CC1(C(=O)COC(=O)c2ccc(-c3ccc(C(=O)[O-])cc3)cc2)CC1 ZINC001593743344 996367428 /nfs/dbraw/zinc/36/74/28/996367428.db2.gz OKFKEVOOBUQCFK-UHFFFAOYSA-N -1 0 338.359 3.578 20 0 EHADRM C[C@]1(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CCc2ccccc2C1 ZINC001593750152 996394126 /nfs/dbraw/zinc/39/41/26/996394126.db2.gz XCIUYQNGVXIDLM-NQIIRXRSSA-N -1 0 343.467 3.721 20 0 EHADRM C[C@]1(C(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)CCc2ccccc21 ZINC001593761568 996422971 /nfs/dbraw/zinc/42/29/71/996422971.db2.gz LVFHMVFULFYTLY-SFHVURJKSA-N -1 0 342.420 3.561 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2cc(Cl)c(Cl)cc2F)C1 ZINC001593771551 996465365 /nfs/dbraw/zinc/46/53/65/996465365.db2.gz UUFMPMCAWSYDCL-CQSZACIVSA-N -1 0 349.189 3.851 20 0 EHADRM CC1(C)[C@@H](c2ccc(Cl)cc2)CCN1c1ccnc(C(=O)[O-])n1 ZINC001593836769 996593556 /nfs/dbraw/zinc/59/35/56/996593556.db2.gz ALPUHMPZJNQMQM-CYBMUJFWSA-N -1 0 331.803 3.601 20 0 EHADRM CC1(C)[C@H](c2cccc(Cl)c2)CCN1C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001593837480 996595486 /nfs/dbraw/zinc/59/54/86/996595486.db2.gz IKAUKCDKRPPMFB-GUTXKFCHSA-N -1 0 335.831 3.545 20 0 EHADRM CC1(C)C[C@@H](C(=O)Oc2cc3ccccc3cc2C(=O)[O-])CCO1 ZINC001593848449 996619541 /nfs/dbraw/zinc/61/95/41/996619541.db2.gz RGBVIWNRXBNZHJ-AWEZNQCLSA-N -1 0 328.364 3.649 20 0 EHADRM CC1(C)C[C@H](OC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c2ccccc2O1 ZINC001593862335 996661125 /nfs/dbraw/zinc/66/11/25/996661125.db2.gz ZVLQSCCHXWRNRQ-IOASZLSFSA-N -1 0 332.396 3.723 20 0 EHADRM CC1(C)C[C@H](OC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c2ccccc2O1 ZINC001593862337 996661132 /nfs/dbraw/zinc/66/11/32/996661132.db2.gz ZVLQSCCHXWRNRQ-XEZPLFJOSA-N -1 0 332.396 3.723 20 0 EHADRM CC1(C)C[C@H](c2ccccc2)N(C(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC001593863053 996661681 /nfs/dbraw/zinc/66/16/81/996661681.db2.gz BDTOCRSFDKGRER-GOSISDBHSA-N -1 0 337.419 3.927 20 0 EHADRM CC1(C)C[C@]1(C(=O)N1CCc2c1cccc2C(=O)[O-])c1ccccc1 ZINC001593863283 996662742 /nfs/dbraw/zinc/66/27/42/996662742.db2.gz FVCKRCZLNZYXOR-OAQYLSRUSA-N -1 0 335.403 3.642 20 0 EHADRM CCN(CC(=O)[O-])C(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000780512263 1032137144 /nfs/dbraw/zinc/13/71/44/1032137144.db2.gz BSZQEFGXLHNRKL-CQSZACIVSA-N -1 0 342.395 3.656 20 0 EHADRM CC1(C)CCC(CC(=O)Nc2nc3c(cccc3C(=O)[O-])[nH]2)CC1 ZINC001593877271 996699564 /nfs/dbraw/zinc/69/95/64/996699564.db2.gz WTUVNBPRRJYOLS-UHFFFAOYSA-N -1 0 329.400 3.806 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)N(CC(=O)[O-])C2CCCCC2)c1C(C)C ZINC000683309412 1016058313 /nfs/dbraw/zinc/05/83/13/1016058313.db2.gz DHWSTWQYQXUODX-UHFFFAOYSA-N -1 0 348.443 3.509 20 0 EHADRM CC1(C)CCC[C@](NC(=O)[C@H]2CC[C@H](C(F)(F)F)C2)(C(=O)[O-])C1 ZINC001593892515 996741610 /nfs/dbraw/zinc/74/16/10/996741610.db2.gz SSINNUIXDHZETN-ZIBATOQPSA-N -1 0 335.366 3.505 20 0 EHADRM COC(=O)Cc1cccc(N[C@@H]2CCC[C@@H](CCCC(=O)[O-])C2)c1 ZINC001598873742 996750714 /nfs/dbraw/zinc/75/07/14/996750714.db2.gz WQXJEDFFEPPMQW-GOEBONIOSA-N -1 0 333.428 3.628 20 0 EHADRM CC1(C)CCC[C@@H]1[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC001593898323 996760691 /nfs/dbraw/zinc/76/06/91/996760691.db2.gz URKPSTQFDBQUAT-DZGCQCFKSA-N -1 0 333.403 3.812 20 0 EHADRM CC1(C)CCc2cccc(NC(=O)N[C@H]3CC[C@@H](CC(=O)[O-])C3)c2O1 ZINC001593916078 996816221 /nfs/dbraw/zinc/81/62/21/996816221.db2.gz LDDANPWIERCZLK-OCCSQVGLSA-N -1 0 346.427 3.555 20 0 EHADRM COc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2C(=O)[O-])o1 ZINC001599485695 996845762 /nfs/dbraw/zinc/84/57/62/996845762.db2.gz HXLJDBKNQIPQAU-UHFFFAOYSA-N -1 0 330.123 3.546 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cccnc2C(F)(F)F)ccc1Cl ZINC000683312449 1016070213 /nfs/dbraw/zinc/07/02/13/1016070213.db2.gz CVWJYTYXJCGFRK-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)N2CC3(CC=CC3)[C@@H]2C(C)C)c1 ZINC001599489183 996907534 /nfs/dbraw/zinc/90/75/34/996907534.db2.gz JEWYIZFVTSTPIW-INIZCTEOSA-N -1 0 344.411 3.602 20 0 EHADRM CC1(C)CN([C@@H](C(=O)[O-])c2cccc(Cl)c2)[C@@H]1c1ccncc1 ZINC001593940112 996944371 /nfs/dbraw/zinc/94/43/71/996944371.db2.gz FEEUSJNLZGANSR-HZPDHXFCSA-N -1 0 330.815 3.944 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)CSc2ccc(C)cc2C)c1 ZINC001599491462 996947194 /nfs/dbraw/zinc/94/71/94/996947194.db2.gz XEOMTRMQFJIXRS-UHFFFAOYSA-N -1 0 346.404 3.708 20 0 EHADRM COCc1cc(NC(=O)N2CCC(C3CCC3)CC2)cc(C(=O)[O-])c1 ZINC001599286419 996986452 /nfs/dbraw/zinc/98/64/52/996986452.db2.gz XZSBCTLFCDSABP-UHFFFAOYSA-N -1 0 346.427 3.575 20 0 EHADRM COCc1cc(NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)cc(C(=O)[O-])c1 ZINC001599288923 997028894 /nfs/dbraw/zinc/02/88/94/997028894.db2.gz OJMVQNAFSZUQSR-XLIONFOSSA-N -1 0 339.391 3.664 20 0 EHADRM COc1cc(C)c(C)cc1NC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001599390849 997033138 /nfs/dbraw/zinc/03/31/38/997033138.db2.gz RJEZWYCFHIWEQS-YWZLYKJASA-N -1 0 339.391 3.509 20 0 EHADRM COc1cc(C)ccc1CNc1ncc(C(=O)[O-])cc1C(F)(F)F ZINC001599393932 997089972 /nfs/dbraw/zinc/08/99/72/997089972.db2.gz XVJZYISTQKDUNJ-UHFFFAOYSA-N -1 0 340.301 3.728 20 0 EHADRM COc1cc(C)c(NCc2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1C ZINC001599393977 997090095 /nfs/dbraw/zinc/09/00/95/997090095.db2.gz SJGHDUNKMTXONU-AWEZNQCLSA-N -1 0 329.396 3.776 20 0 EHADRM COCc1ccc(NC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)cc1 ZINC001599294899 997122921 /nfs/dbraw/zinc/12/29/21/997122921.db2.gz QBHWYAARVFMKRZ-UHFFFAOYSA-N -1 0 339.351 3.657 20 0 EHADRM COCc1cccc(C(=O)N[C@@H](C(=O)[O-])c2cccc3ccccc32)c1 ZINC001599295572 997134146 /nfs/dbraw/zinc/13/41/46/997134146.db2.gz VSXKZYKPNPYQIE-LJQANCHMSA-N -1 0 349.386 3.542 20 0 EHADRM COC1(CCS[C@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)CCC1 ZINC001599087999 997134712 /nfs/dbraw/zinc/13/47/12/997134712.db2.gz DSTGPDIRUJWHEB-GFCCVEGCSA-N -1 0 339.457 3.593 20 0 EHADRM COc1ccc(C(=O)[O-])c2c1CN([C@@H]1CCc3c1cccc3F)CC2 ZINC001599502235 997145550 /nfs/dbraw/zinc/14/55/50/997145550.db2.gz YLILEBIGHVMXLS-GOSISDBHSA-N -1 0 341.382 3.578 20 0 EHADRM COc1ccc(C(=O)[O-])c2c1CN(Cc1cccc(Cl)c1F)CC2 ZINC001599502196 997146047 /nfs/dbraw/zinc/14/60/47/997146047.db2.gz VTCUHTZOJWPXSI-UHFFFAOYSA-N -1 0 349.789 3.744 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)[C@@H]1CCCC(F)(F)C1 ZINC001599398406 997170979 /nfs/dbraw/zinc/17/09/79/997170979.db2.gz ZYGIFPZKTKWOKM-SMYYYNMVSA-N -1 0 340.322 3.524 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)[C@H](C)c1ccccc1C ZINC001599399457 997188931 /nfs/dbraw/zinc/18/89/31/997188931.db2.gz NWQQDKZYXZYJNX-RBJHHQRMSA-N -1 0 340.375 3.811 20 0 EHADRM COc1ccc(/C(C)=C/C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])cc1 ZINC001599506519 997219794 /nfs/dbraw/zinc/21/97/94/997219794.db2.gz RZMLJSUBQNIWIY-SZEUEKNRSA-N -1 0 345.439 3.638 20 0 EHADRM COCc1nc(CNc2c(C)cc(C(=O)[O-])cc2Cl)cs1 ZINC001599300411 997221750 /nfs/dbraw/zinc/22/17/50/997221750.db2.gz ASQWZQXFTICMEV-UHFFFAOYSA-N -1 0 326.805 3.562 20 0 EHADRM COc1ccc([C@H](C)N(C)C(=O)c2ccccc2CCC(=O)[O-])cc1 ZINC001599507407 997234791 /nfs/dbraw/zinc/23/47/91/997234791.db2.gz MOTHTTYAXGGBTD-AWEZNQCLSA-N -1 0 341.407 3.546 20 0 EHADRM COc1ccc([C@H](C)N(C)C(=O)Nc2ccc(F)cc2C(=O)[O-])cc1 ZINC001599507428 997235373 /nfs/dbraw/zinc/23/53/73/997235373.db2.gz NAVWUPOKZKPWPM-NSHDSACASA-N -1 0 346.358 3.757 20 0 EHADRM C[C@]1(C2CCCCC2)CCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001593993030 997279589 /nfs/dbraw/zinc/27/95/89/997279589.db2.gz RTQJZJIOIKNTHA-HXUWFJFHSA-N -1 0 329.440 3.889 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)CCCCC(C)(C)C)cc1 ZINC001599510412 997288700 /nfs/dbraw/zinc/28/87/00/997288700.db2.gz MNGXCFIDIXBDIT-INIZCTEOSA-N -1 0 335.444 3.934 20 0 EHADRM C[C@]1(CC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC1(Cl)Cl ZINC001593996553 997308306 /nfs/dbraw/zinc/30/83/06/997308306.db2.gz YSOVWGVOBRSBHN-FZMZJTMJSA-N -1 0 336.259 3.500 20 0 EHADRM C[C@]1(CCNC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C[C@]1(F)Cl ZINC001594008593 997436505 /nfs/dbraw/zinc/43/65/05/997436505.db2.gz YVFAAOGZMQNMNK-UONOGXRCSA-N -1 0 349.189 3.864 20 0 EHADRM COc1ccc([C@H](NC(=O)c2cccc(C3CCC3)c2)C(=O)[O-])cc1 ZINC001599523548 997522420 /nfs/dbraw/zinc/52/24/20/997522420.db2.gz GDTGYEXETKQMSB-SFHVURJKSA-N -1 0 339.391 3.518 20 0 EHADRM COc1cc(Cl)c(C)cc1NC(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001599419152 997563346 /nfs/dbraw/zinc/56/33/46/997563346.db2.gz ZKSZMPUDMMOZEV-UHFFFAOYSA-N -1 0 337.734 3.747 20 0 EHADRM COc1cc(Cl)cc(-c2nc(-c3cccc(C(=O)[O-])c3)no2)c1 ZINC001599419606 997570782 /nfs/dbraw/zinc/57/07/82/997570782.db2.gz FBOGXMGFEODRFL-UHFFFAOYSA-N -1 0 330.727 3.764 20 0 EHADRM COc1cc(Cl)cc(C(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)c1 ZINC001599419967 997576370 /nfs/dbraw/zinc/57/63/70/997576370.db2.gz SJVVZOQDFDQFSB-MRXNPFEDSA-N -1 0 347.798 3.521 20 0 EHADRM C[C@@]1(CNc2cc(C(F)(F)F)c(C(=O)[O-])cn2)CC1(Cl)Cl ZINC001594030103 997588604 /nfs/dbraw/zinc/58/86/04/997588604.db2.gz JPAHVLMFXBHIRA-JTQLQIEISA-N -1 0 343.132 3.794 20 0 EHADRM COc1cc(Cl)ccc1C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001599421551 997604952 /nfs/dbraw/zinc/60/49/52/997604952.db2.gz XCWZFTNGDDEDJO-UHFFFAOYSA-N -1 0 341.146 3.919 20 0 EHADRM Cc1nc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)sc1C ZINC000340031443 1016143494 /nfs/dbraw/zinc/14/34/94/1016143494.db2.gz AYJDTHYDHWYELS-UHFFFAOYSA-N -1 0 340.470 3.656 20 0 EHADRM COCC[C@H]1CCN(Cc2cccc(C(=O)[O-])c2)c2ccccc21 ZINC001599221228 997672338 /nfs/dbraw/zinc/67/23/38/997672338.db2.gz XYIWEVIMKMVSML-MRXNPFEDSA-N -1 0 325.408 3.915 20 0 EHADRM COc1ccc(C2CC2)c(NCc2ccccc2OCC(=O)[O-])c1 ZINC001599536993 997761239 /nfs/dbraw/zinc/76/12/39/997761239.db2.gz HKNVBFTUFJNWKT-UHFFFAOYSA-N -1 0 327.380 3.648 20 0 EHADRM COC(=O)c1cc(CN2CCCCc3cc(C(=O)[O-])ccc32)cs1 ZINC001598931822 997773031 /nfs/dbraw/zinc/77/30/31/997773031.db2.gz ANBBNVABOFGOBC-UHFFFAOYSA-N -1 0 345.420 3.576 20 0 EHADRM CC1(NC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)Cc2ccccc2C1 ZINC001594053571 997773826 /nfs/dbraw/zinc/77/38/26/997773826.db2.gz VHIVYBHXRVKKTH-UHFFFAOYSA-N -1 0 349.390 3.545 20 0 EHADRM COc1cc(NC(=O)N2CCC[C@@H]2c2ccsc2)ccc1C(=O)[O-] ZINC001599436092 997849132 /nfs/dbraw/zinc/84/91/32/997849132.db2.gz UOWMMNQJUPXPJW-CQSZACIVSA-N -1 0 346.408 3.824 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1cc2[nH]ccc2s1 ZINC001599541545 997851296 /nfs/dbraw/zinc/85/12/96/997851296.db2.gz DATCSEVHTKQNMY-HWKANZROSA-N -1 0 343.360 3.555 20 0 EHADRM COc1ccc(/C=C(\C)C(=O)Nc2ccc(C(=O)[O-])cc2)cc1F ZINC001599542466 997867248 /nfs/dbraw/zinc/86/72/48/997867248.db2.gz WBURDYNOYOKAJM-PKNBQFBNSA-N -1 0 329.327 3.575 20 0 EHADRM COc1c(NC(=O)N[C@@H](C)c2ccccc2Cl)cccc1C(=O)[O-] ZINC001599339113 997890038 /nfs/dbraw/zinc/89/00/38/997890038.db2.gz FVELIOOSRUCDFN-JTQLQIEISA-N -1 0 348.786 3.930 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1ccc(Cl)cc1C ZINC001599544445 997900405 /nfs/dbraw/zinc/90/04/05/997900405.db2.gz HHTCSVHJXBQNGA-XBXARRHUSA-N -1 0 346.766 3.974 20 0 EHADRM COc1cc(NC(=O)NC2(c3ccccc3C)CC2)ccc1C(=O)[O-] ZINC001599439085 997901973 /nfs/dbraw/zinc/90/19/73/997901973.db2.gz YQQOXHRDSJLGEC-UHFFFAOYSA-N -1 0 340.379 3.513 20 0 EHADRM COCCN(C(=O)Nc1cc(C(=O)[O-])c(C)cc1C)[C@@H]1CC[C@@H](C)C1 ZINC001599233630 997907338 /nfs/dbraw/zinc/90/73/38/997907338.db2.gz ZLVGPPFPNFSKTI-IUODEOHRSA-N -1 0 348.443 3.671 20 0 EHADRM COc1cc(NC(=O)Nc2ccc(C)c(C(=O)[O-])c2)c(C)c(OC)c1 ZINC001599440777 997925337 /nfs/dbraw/zinc/92/53/37/997925337.db2.gz DGPRZDCHQMQQHO-UHFFFAOYSA-N -1 0 344.367 3.663 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1cc(C)cc(Cl)c1 ZINC001599546123 997925394 /nfs/dbraw/zinc/92/53/94/997925394.db2.gz KYSKZJHQJQDPCE-GQCTYLIASA-N -1 0 346.766 3.974 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OCc1coc(C(C)(C)C)n1 ZINC001599546711 997934765 /nfs/dbraw/zinc/93/47/65/997934765.db2.gz POMOXKMVTWILBV-SOFGYWHQSA-N -1 0 331.368 3.658 20 0 EHADRM COc1c(NC(=O)c2coc3c2cccc3C)cccc1C(=O)[O-] ZINC001599341991 997937197 /nfs/dbraw/zinc/93/71/97/997937197.db2.gz IJHPAIZRECRCSX-UHFFFAOYSA-N -1 0 325.320 3.700 20 0 EHADRM COc1cc(NC(=O)c2cc3c(o2)c(F)ccc3C)ccc1C(=O)[O-] ZINC001599442074 997946110 /nfs/dbraw/zinc/94/61/10/997946110.db2.gz AOZCZBOPOMJWHU-UHFFFAOYSA-N -1 0 343.310 3.839 20 0 EHADRM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001594076432 997946960 /nfs/dbraw/zinc/94/69/60/997946960.db2.gz IRGJAZQIMKUSEN-XLIONFOSSA-N -1 0 338.407 3.556 20 0 EHADRM COc1cc(N[C@H](C)c2ncc(C(=O)[O-])s2)cc(OC)c1Cl ZINC001599443622 997971376 /nfs/dbraw/zinc/97/13/76/997971376.db2.gz VRTBTZVACNHPFD-SSDOTTSWSA-N -1 0 342.804 3.685 20 0 EHADRM COc1cc(NCc2ccc(C(=O)[O-])c(F)c2)c(Cl)c(OC)c1 ZINC001599443773 997973810 /nfs/dbraw/zinc/97/38/10/997973810.db2.gz MFAPZPOOFWGZAP-UHFFFAOYSA-N -1 0 339.750 3.807 20 0 EHADRM COc1cc(N[C@@H](C(=O)[O-])c2ccccc2C)cc(Cl)c1OC ZINC001599443975 997977095 /nfs/dbraw/zinc/97/70/95/997977095.db2.gz AYVFAPNIPXWGTM-OAHLLOKOSA-N -1 0 335.787 3.903 20 0 EHADRM COc1ccc(C[C@H](C)C(=O)Nc2ccc(C)c(C)c2C(=O)[O-])cc1 ZINC001599549932 997989249 /nfs/dbraw/zinc/98/92/49/997989249.db2.gz DTCBBPQNNAQKBN-ZDUSSCGKSA-N -1 0 341.407 3.828 20 0 EHADRM COc1cc(OC(=O)[C@@H](C)c2cccc(Cl)c2)ccc1C(=O)[O-] ZINC001599446237 998014158 /nfs/dbraw/zinc/01/41/58/998014158.db2.gz PVKCGFPPPDPODG-JTQLQIEISA-N -1 0 334.755 3.756 20 0 EHADRM COc1cc(-c2noc(C34CCC(C(=O)[O-])(CC3)CC4)n2)ccc1F ZINC001599347249 998029853 /nfs/dbraw/zinc/02/98/53/998029853.db2.gz UPUCZEDCHXZGFH-UHFFFAOYSA-N -1 0 346.358 3.561 20 0 EHADRM COC(=O)c1cc(NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)cc(C(=O)[O-])c1 ZINC001598946539 998068047 /nfs/dbraw/zinc/06/80/47/998068047.db2.gz LNEVBTAAFTZVPS-WLRWDXFRSA-N -1 0 347.411 3.572 20 0 EHADRM Cc1cc(C)c(CC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c(C)c1 ZINC000683323864 1016183086 /nfs/dbraw/zinc/18/30/86/1016183086.db2.gz DPTQFZIKXAFMMP-MRXNPFEDSA-N -1 0 331.456 3.504 20 0 EHADRM COc1cc(OC)cc([C@@H](Sc2ccc(F)c(F)c2)C(=O)[O-])c1 ZINC001599451330 998107782 /nfs/dbraw/zinc/10/77/82/998107782.db2.gz BQQHZBTVBKWPIP-OAHLLOKOSA-N -1 0 340.347 3.900 20 0 EHADRM CC1=Nc2ccccc2C12CCN([C@H](C)c1nc(C(=O)[O-])co1)CC2 ZINC001594120233 998265898 /nfs/dbraw/zinc/26/58/98/998265898.db2.gz BHPSDGZQJJGFLR-GFCCVEGCSA-N -1 0 339.395 3.574 20 0 EHADRM COCCOc1cc(C(=O)[O-])ccc1NC(=O)C[C@H]1CCCC[C@H]1C ZINC001599253727 998276008 /nfs/dbraw/zinc/27/60/08/998276008.db2.gz OATFESVFXAOUEC-ZIAGYGMSSA-N -1 0 349.427 3.565 20 0 EHADRM COCCOc1cc(C(=O)[O-])ccc1NC(=O)C[C@@H]1CCCC[C@@H]1C ZINC001599253724 998276040 /nfs/dbraw/zinc/27/60/40/998276040.db2.gz OATFESVFXAOUEC-KBPBESRZSA-N -1 0 349.427 3.565 20 0 EHADRM COC(=O)c1cc2cc(N[C@@H]3CC[C@H](CC(=O)[O-])[C@H]3C)ccc2s1 ZINC001598958173 998282665 /nfs/dbraw/zinc/28/26/65/998282665.db2.gz VJXPGUCFNDXBFQ-JTNHKYCSSA-N -1 0 347.436 3.989 20 0 EHADRM COc1cc(C(=O)[O-])cc(NCc2sccc2Cl)c1OC ZINC001599362796 998288544 /nfs/dbraw/zinc/28/85/44/998288544.db2.gz XDNXFZKKOKUUJI-UHFFFAOYSA-N -1 0 327.789 3.729 20 0 EHADRM COc1cc2c(cc1Cl)CN(Cc1ccc(/C=C/C(=O)[O-])o1)CC2 ZINC001599464236 998331620 /nfs/dbraw/zinc/33/16/20/998331620.db2.gz CQCUXKAYZHRJKJ-SNAWJCMRSA-N -1 0 347.798 3.598 20 0 EHADRM COc1cc2c(cc1Cl)CN(Cc1ccc(C(=O)[O-])s1)CC2 ZINC001599464831 998339764 /nfs/dbraw/zinc/33/97/64/998339764.db2.gz MMLBNYUOKAPOSG-UHFFFAOYSA-N -1 0 337.828 3.667 20 0 EHADRM COC[C@@H](C)CNc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC001599156577 998382218 /nfs/dbraw/zinc/38/22/18/998382218.db2.gz FBEGOFHPMNDFLA-AWEZNQCLSA-N -1 0 329.396 3.658 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001599370064 998395030 /nfs/dbraw/zinc/39/50/30/998395030.db2.gz FNMLNHXZUNPEQX-UONOGXRCSA-N -1 0 345.782 3.789 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@H](C(C)(C)C)C1 ZINC001599370889 998407453 /nfs/dbraw/zinc/40/74/53/998407453.db2.gz IWTSXGRGDWQSFH-ZDUSSCGKSA-N -1 0 334.416 3.683 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@@H]1C1CCCC1 ZINC001599370915 998407753 /nfs/dbraw/zinc/40/77/53/998407753.db2.gz JGJKGZKSWKAYRA-OAHLLOKOSA-N -1 0 332.400 3.580 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)Cc1csc2ccccc12 ZINC001599370908 998407900 /nfs/dbraw/zinc/40/79/00/998407900.db2.gz NJNWBHUGOHASHU-UHFFFAOYSA-N -1 0 341.388 3.789 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N1C[C@H](C)[C@H]1c1ccccc1 ZINC001599371835 998422736 /nfs/dbraw/zinc/42/27/36/998422736.db2.gz YFDJZTLIWMDZSY-SJCJKPOMSA-N -1 0 340.379 3.618 20 0 EHADRM COc1ccc(-c2nc(NC(=O)C[C@H](C)CC(=O)[O-])sc2C)cc1 ZINC001599470820 998447385 /nfs/dbraw/zinc/44/73/85/998447385.db2.gz YWVPRHWJPIOQQG-JTQLQIEISA-N -1 0 348.424 3.567 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1cc(F)c(F)cc1Cl ZINC001599373738 998453848 /nfs/dbraw/zinc/45/38/48/998453848.db2.gz CAZWPQSRYRQZET-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM COc1ccc(Cl)cc1C(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001599578543 998487911 /nfs/dbraw/zinc/48/79/11/998487911.db2.gz DOMKOXONFWSUAJ-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM COCCn1c2ccccc2nc1S[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC001599267839 998498670 /nfs/dbraw/zinc/49/86/70/998498670.db2.gz JDAMQBHIXDXQSX-NSHDSACASA-N -1 0 346.408 3.827 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)c1ccc(F)c(C(F)F)c1 ZINC001599379030 998536795 /nfs/dbraw/zinc/53/67/95/998536795.db2.gz INDFLQAHEGZTLO-UHFFFAOYSA-N -1 0 340.253 3.689 20 0 EHADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)Nc1nc(C2CCCCC2)cs1 ZINC001594155736 998563932 /nfs/dbraw/zinc/56/39/32/998563932.db2.gz FFSQHHLEELRGCS-CMPLNLGQSA-N -1 0 337.445 3.518 20 0 EHADRM C[C@H]1[C@@H](C(=O)[O-])CCN1c1nc(Cl)c(C(F)(F)F)cc1Cl ZINC001594170894 998656660 /nfs/dbraw/zinc/65/66/60/998656660.db2.gz LYHGSIKUTGJSTL-WDSKDSINSA-N -1 0 343.132 3.707 20 0 EHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1Nc1ccc(Oc2cccnn2)cc1 ZINC001594185275 998717969 /nfs/dbraw/zinc/71/79/69/998717969.db2.gz OHDCDPPYLUAFCR-IOASZLSFSA-N -1 0 327.384 3.570 20 0 EHADRM CC1CC(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)(c2cccc(Cl)c2)C1 ZINC001594201683 998780690 /nfs/dbraw/zinc/78/06/90/998780690.db2.gz YGYPQNWDVXFDGR-GBRVTDDUSA-N -1 0 349.858 3.625 20 0 EHADRM C[C@H]1C[C@H](C(=O)Nc2ccc(Oc3ccccc3)cc2C(=O)[O-])CO1 ZINC001594203823 998784995 /nfs/dbraw/zinc/78/49/95/998784995.db2.gz QTQBHSJEEOONJC-STQMWFEESA-N -1 0 341.363 3.541 20 0 EHADRM CC(C)Oc1c(NC(=O)N2C[C@H](C)C[C@H](C)C2)cccc1C(=O)[O-] ZINC001594221409 998852700 /nfs/dbraw/zinc/85/27/00/998852700.db2.gz NFFBEPITAASYBO-BETUJISGSA-N -1 0 334.416 3.682 20 0 EHADRM C[C@@H]1C[C@@H](C)N(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)C1 ZINC001594230733 998877325 /nfs/dbraw/zinc/87/73/25/998877325.db2.gz OXXMFYNJNIUBTR-ZIAGYGMSSA-N -1 0 345.443 3.637 20 0 EHADRM C[C@@H]1C[C@H](CC(=O)NCCc2ccc(C(=O)[O-])cc2)CC(C)(C)C1 ZINC001594233673 998890607 /nfs/dbraw/zinc/89/06/07/998890607.db2.gz YXSYMDUBBRXWPL-GDBMZVCRSA-N -1 0 331.456 3.896 20 0 EHADRM CO[C@H](C(=O)Nc1c(C(=O)[O-])ccc2ccccc21)c1ccccc1 ZINC001599026945 999022861 /nfs/dbraw/zinc/02/28/61/999022861.db2.gz NWHNTMOMPPGMQF-SFHVURJKSA-N -1 0 335.359 3.864 20 0 EHADRM CO[C@H](C(=O)[O-])c1ccccc1OCCOc1cc(C)ccc1C ZINC001599027850 999029032 /nfs/dbraw/zinc/02/90/32/999029032.db2.gz VPTVHMAFQKKEDQ-SFHVURJKSA-N -1 0 330.380 3.533 20 0 EHADRM CO[C@@H](C(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21)C1CCCCC1 ZINC001599029044 999037101 /nfs/dbraw/zinc/03/71/01/999037101.db2.gz IDUROMPCENSHER-ZWKOTPCHSA-N -1 0 346.423 3.901 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2ccccc2CCC(=O)[O-])C1 ZINC001594269610 999042078 /nfs/dbraw/zinc/04/20/78/999042078.db2.gz LFDUTIXXESEXAM-KXBFYZLASA-N -1 0 337.419 3.927 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001594270737 999046611 /nfs/dbraw/zinc/04/66/11/999046611.db2.gz ZUNJMJLBMIEHMO-WWGRRREGSA-N -1 0 339.395 3.578 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)c1 ZINC001599041319 999119757 /nfs/dbraw/zinc/11/97/57/999119757.db2.gz SNJKRPRJGRXWCN-ZXYWRSMDSA-N -1 0 346.427 3.503 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001594291977 999126241 /nfs/dbraw/zinc/12/62/41/999126241.db2.gz INNARQBXJRFPRE-GIPNMCIBSA-N -1 0 337.807 3.618 20 0 EHADRM C[C@H]1CC/C(=C\C(=O)Oc2ccc(C(=O)[O-])cc2Br)C1 ZINC001594292567 999128531 /nfs/dbraw/zinc/12/85/31/999128531.db2.gz RLMDRXPXQBQICR-HZAKCSEPSA-N -1 0 339.185 3.799 20 0 EHADRM C[C@@H]1CC[C@](C)(/C=C/C(=O)N[C@H](C(=O)[O-])c2ccccc2)C1(C)C ZINC001594296194 999140617 /nfs/dbraw/zinc/14/06/17/999140617.db2.gz NVFJDEHZNVZIMH-YQDZHVBOSA-N -1 0 329.440 3.947 20 0 EHADRM CO[C@@H](CC(C)C)C(=O)Nc1cc(C(=O)[O-])cc(Cl)c1Cl ZINC001599044931 999144311 /nfs/dbraw/zinc/14/43/11/999144311.db2.gz HIRHRVNOSYKZNG-NSHDSACASA-N -1 0 334.199 3.691 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccsc1C(=O)[O-] ZINC001594299191 999155001 /nfs/dbraw/zinc/15/50/01/999155001.db2.gz UJADDAYYQXFSOJ-YRGRVCCFSA-N -1 0 339.457 3.862 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Oc1ccc(C(=O)[O-])cc1 ZINC001594299430 999156106 /nfs/dbraw/zinc/15/61/06/999156106.db2.gz ZPBMJAVJYMKIHP-XOKHGSTOSA-N -1 0 334.412 3.768 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)[C@H](C)C1 ZINC001594314126 999213894 /nfs/dbraw/zinc/21/38/94/999213894.db2.gz OICCNLXKAOEBRO-VLMXHWEHSA-N -1 0 330.428 3.821 20 0 EHADRM C[C@@H]1CC[C@](NC(=O)/C=C/c2cccs2)(C(=O)[O-])c2ccccc21 ZINC001594315545 999222521 /nfs/dbraw/zinc/22/25/21/999222521.db2.gz YTDDTIHLHFCADZ-QUEUSCEUSA-N -1 0 341.432 3.755 20 0 EHADRM C[C@H]1CCC[C@@H](NC(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)CC1 ZINC001594352213 999332873 /nfs/dbraw/zinc/33/28/73/999332873.db2.gz AACRNERBRFZVED-WDEREUQCSA-N -1 0 339.461 3.596 20 0 EHADRM C[C@@H]1CCC[C@H](OCC(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)C1 ZINC001594354923 999339979 /nfs/dbraw/zinc/33/99/79/999339979.db2.gz GJFBENCGYAHWSZ-HIFRSBDPSA-N -1 0 334.412 3.550 20 0 EHADRM C[C@H]1CCC[C@H](OCCCCCC(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001594355989 999343237 /nfs/dbraw/zinc/34/32/37/999343237.db2.gz OWMQWFGCPXHFFW-GJZGRUSLSA-N -1 0 348.443 3.874 20 0 EHADRM C[C@H]1CCC[C@H]1CC(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC001594360490 999363260 /nfs/dbraw/zinc/36/32/60/999363260.db2.gz VUWCZKWFUKDOHG-UWVGGRQHSA-N -1 0 333.413 3.601 20 0 EHADRM C[C@@H]1CCCC[C@@H]1C(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001594363940 999374722 /nfs/dbraw/zinc/37/47/22/999374722.db2.gz PFKGRLJKGOMGNS-HNJNHCNJSA-N -1 0 337.847 3.668 20 0 EHADRM C[C@H]1CCCCN1C(=O)CSCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001594370575 999396975 /nfs/dbraw/zinc/39/69/75/999396975.db2.gz RNTJLNQBTYNEFN-NSHDSACASA-N -1 0 341.860 3.672 20 0 EHADRM C[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001594394698 999487305 /nfs/dbraw/zinc/48/73/05/999487305.db2.gz LVGQJRNROHWEEX-BFVZDQMLSA-N -1 0 344.238 3.809 20 0 EHADRM CC(C)[C@H](CNC(=O)CCCc1csc2ccccc12)C(=O)[O-] ZINC000655566890 1016322186 /nfs/dbraw/zinc/32/21/86/1016322186.db2.gz KDDPTSSWNRAXBD-HNNXBMFYSA-N -1 0 333.453 3.697 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CC1(C)C ZINC001594404514 999514388 /nfs/dbraw/zinc/51/43/88/999514388.db2.gz AJWPMGJUGYVKFN-UHOFOFEASA-N -1 0 330.428 3.775 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc3c(cccc3Cl)s2)[C@H](C(=O)[O-])C1 ZINC001594409881 999529960 /nfs/dbraw/zinc/52/99/60/999529960.db2.gz HXDZGFDGAAJKLZ-SKDRFNHKSA-N -1 0 337.828 3.880 20 0 EHADRM CC1CCN(c2ccc(NC(=O)NCC(C)(C)CC(=O)[O-])cc2)CC1 ZINC001594435194 999615871 /nfs/dbraw/zinc/61/58/71/999615871.db2.gz SBRPYXWFMQDVQH-UHFFFAOYSA-N -1 0 347.459 3.545 20 0 EHADRM CCCOc1ccc(CNc2ccc(CC(=O)[O-])cc2)cc1OC ZINC000076275018 1016347951 /nfs/dbraw/zinc/34/79/51/1016347951.db2.gz RRMCUTLADUIUET-UHFFFAOYSA-N -1 0 329.396 3.723 20 0 EHADRM CCN(C(=O)c1cccc(Br)c1[O-])C1CC(C)(C)C1 ZINC000584516249 1016467478 /nfs/dbraw/zinc/46/74/78/1016467478.db2.gz GEWYHHDPIWUTNX-UHFFFAOYSA-N -1 0 326.234 3.805 20 0 EHADRM C[C@H](NC(=O)c1cc2sccc2s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655582557 1016496825 /nfs/dbraw/zinc/49/68/25/1016496825.db2.gz YHVRZYRHSKIKED-LPEHRKFASA-N -1 0 337.466 3.828 20 0 EHADRM O=C([O-])c1cc(F)cc(Nc2cc(Br)cnc2F)c1 ZINC001209884735 1016638064 /nfs/dbraw/zinc/63/80/64/1016638064.db2.gz BVPUPSJGPZPAKK-UHFFFAOYSA-N -1 0 329.100 3.564 20 0 EHADRM C[C@@H](NC(=O)NCC1(C(=O)[O-])CCC1)c1cccc(Cl)c1Cl ZINC000659398172 1016656610 /nfs/dbraw/zinc/65/66/10/1016656610.db2.gz RVGPSNLEDZNGQZ-SECBINFHSA-N -1 0 345.226 3.609 20 0 EHADRM Cc1ccccc1[C@H]1C[C@H](NC(=O)N2CCC(CCC(=O)[O-])CC2)C1 ZINC000659403474 1016659084 /nfs/dbraw/zinc/65/90/84/1016659084.db2.gz PEEKZFDJDZVFEN-QAQDUYKDSA-N -1 0 344.455 3.527 20 0 EHADRM O=C([O-])C1(CNC(=O)CCCc2c[nH]c3ccccc23)CCCCC1 ZINC000178478066 1016680855 /nfs/dbraw/zinc/68/08/55/1016680855.db2.gz SNBNXMURWNCBCT-UHFFFAOYSA-N -1 0 342.439 3.642 20 0 EHADRM Cc1nc2[nH]c(-c3cc(F)c([O-])c(F)c3)nc2cc1Br ZINC000178982894 1016826089 /nfs/dbraw/zinc/82/60/89/1016826089.db2.gz WGLDHRATJSCLSA-UHFFFAOYSA-N -1 0 340.127 3.680 20 0 EHADRM Cc1ccc(/C=C/CC(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)cc1 ZINC000084756617 1016937499 /nfs/dbraw/zinc/93/74/99/1016937499.db2.gz ISRLNIZFCIXAPU-DUXPYHPUSA-N -1 0 335.363 3.793 20 0 EHADRM COC(=O)c1sc2ncccc2c1Nc1ccc(C(=O)[O-])c(C)c1 ZINC001211648296 1016979424 /nfs/dbraw/zinc/97/94/24/1016979424.db2.gz ZTMGMWXTOXPQKF-UHFFFAOYSA-N -1 0 342.376 3.833 20 0 EHADRM CCN(C(=O)c1sc2cc(F)ccc2c1Cl)[C@@H](C)C(=O)[O-] ZINC000659775439 1017010233 /nfs/dbraw/zinc/01/02/33/1017010233.db2.gz MMKMKQCENRBJGF-ZETCQYMHSA-N -1 0 329.780 3.629 20 0 EHADRM O=C([O-])[C@H](c1cccc(Cl)c1)N1CC[C@@H](Oc2ccccc2)C1 ZINC000659801593 1017043969 /nfs/dbraw/zinc/04/39/69/1017043969.db2.gz HGUNQVWWBSQRKL-SJORKVTESA-N -1 0 331.799 3.619 20 0 EHADRM O=C(NCCCn1ccc2ccccc21)c1cc(F)c(F)c([O-])c1F ZINC000183314470 1032190982 /nfs/dbraw/zinc/19/09/82/1032190982.db2.gz HEAASJAJLNRPLF-UHFFFAOYSA-N -1 0 348.324 3.584 20 0 EHADRM CC[C@@H](C(=O)N=c1nc(-c2ccsc2)[n-]s1)c1ccc(F)cc1 ZINC000461023825 1032216222 /nfs/dbraw/zinc/21/62/22/1032216222.db2.gz SQCRBLFLKJBESL-CYBMUJFWSA-N -1 0 347.440 3.960 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)C(=O)[O-] ZINC000449133541 1032227331 /nfs/dbraw/zinc/22/73/31/1032227331.db2.gz DPKAFEKLLPLXJC-WOPDTQHZSA-N -1 0 337.382 3.751 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)c1c[nH]cc1-c1ccc(F)cc1)C(=O)[O-] ZINC000449134089 1032228494 /nfs/dbraw/zinc/22/84/94/1032228494.db2.gz GVBFRRGYCSKGGC-MRXNPFEDSA-N -1 0 346.402 3.830 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)[C@H]1CCSc2ccccc21)C(=O)[O-] ZINC000449147817 1032251942 /nfs/dbraw/zinc/25/19/42/1032251942.db2.gz RPVUEQQHQZYKJW-KBPBESRZSA-N -1 0 335.469 3.662 20 0 EHADRM O=C([O-])CCCCCNC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000414623986 1017074789 /nfs/dbraw/zinc/07/47/89/1017074789.db2.gz IBESCOLQSQNYFA-OAHLLOKOSA-N -1 0 338.835 3.832 20 0 EHADRM O=C([N-]c1nc(-c2ccccc2)ns1)c1cc(-c2ccccn2)no1 ZINC000081283968 1032282262 /nfs/dbraw/zinc/28/22/62/1032282262.db2.gz ATANOPIDPXUEMZ-UHFFFAOYSA-N -1 0 349.375 3.507 20 0 EHADRM C[C@H]1C[C@@H](c2cccnc2)N(C(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000184765031 1032331143 /nfs/dbraw/zinc/33/11/43/1032331143.db2.gz VXBAVGYUTIOCIY-NHYWBVRUSA-N -1 0 339.420 3.735 20 0 EHADRM Cc1ccc(NC(=O)N2CC[C@H](C)C[C@@H]2C(=O)[O-])cc1C(F)(F)F ZINC000392329435 1032378017 /nfs/dbraw/zinc/37/80/17/1032378017.db2.gz ADHLKSHHMYYFKT-TVQRCGJNSA-N -1 0 344.333 3.731 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CCCc2ccccc21)C1CCCCC1 ZINC000538504947 1032401806 /nfs/dbraw/zinc/40/18/06/1032401806.db2.gz YAUUZZKWBHKEKW-MSOLQXFVSA-N -1 0 329.440 3.646 20 0 EHADRM CN(C(=O)NCCCCCC(=O)[O-])[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000414628635 1017081998 /nfs/dbraw/zinc/08/19/98/1017081998.db2.gz PCPIEIHZOABZRD-IAGOWNOFSA-N -1 0 332.444 3.609 20 0 EHADRM CN(C(=O)NCCCCCC(=O)[O-])[C@H]1CCC[C@H]1c1ccccc1 ZINC000414628637 1017082320 /nfs/dbraw/zinc/08/23/20/1017082320.db2.gz PCPIEIHZOABZRD-IRXDYDNUSA-N -1 0 332.444 3.609 20 0 EHADRM CC[C@H]1C[C@]1(NC(=O)NCCCCCC(=O)[O-])c1cccc(C)c1 ZINC000414629676 1017083856 /nfs/dbraw/zinc/08/38/56/1017083856.db2.gz RMHIHJLQAWQGJZ-HNAYVOBHSA-N -1 0 332.444 3.564 20 0 EHADRM Cc1ccc2cccc(S(=O)(=O)[N-]c3c(C)cccc3C)c2n1 ZINC000084920037 1032467702 /nfs/dbraw/zinc/46/77/02/1032467702.db2.gz KCCZHAFWKSGRFW-UHFFFAOYSA-N -1 0 326.421 3.961 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)c1 ZINC000537154457 1032539250 /nfs/dbraw/zinc/53/92/50/1032539250.db2.gz NTJLAOJSNAGEHK-UHFFFAOYSA-N -1 0 330.384 3.930 20 0 EHADRM CSc1ccc(C)c([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000537195883 1032553293 /nfs/dbraw/zinc/55/32/93/1032553293.db2.gz CQLOHQOOKQANEJ-UHFFFAOYSA-N -1 0 329.393 3.796 20 0 EHADRM CC[C@H](NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])c1cccc(Cl)c1 ZINC000601989685 1032583618 /nfs/dbraw/zinc/58/36/18/1032583618.db2.gz CBOGSVVJCPWBMY-NRUUGDAUSA-N -1 0 329.849 3.502 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-])cc(C(F)(F)F)c1 ZINC000601994379 1032584558 /nfs/dbraw/zinc/58/45/58/1032584558.db2.gz VFIVTGHUHHCMMW-RKDXNWHRSA-N -1 0 335.347 3.547 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)N1CCCC[C@H]1CCc1ccccc1 ZINC000602002693 1032588575 /nfs/dbraw/zinc/58/85/75/1032588575.db2.gz FJNSCQATHPESBY-VYDXJSESSA-N -1 0 349.496 3.595 20 0 EHADRM CCCc1cnc([N-]S(=O)(=O)c2cccc(Cl)c2C)s1 ZINC000537353440 1032653740 /nfs/dbraw/zinc/65/37/40/1032653740.db2.gz XENLBEYBZTVUNR-UHFFFAOYSA-N -1 0 330.862 3.858 20 0 EHADRM O=C([O-])CC1CCN(C(=O)c2cc(Cl)cc3ccccc32)CC1 ZINC000659120326 1017109516 /nfs/dbraw/zinc/10/95/16/1017109516.db2.gz KOOQHHREIVBFTP-UHFFFAOYSA-N -1 0 331.799 3.820 20 0 EHADRM Cc1nn(-c2ccccc2)cc1NC(=O)c1ccc([O-])c(Cl)c1 ZINC000182620780 1017132240 /nfs/dbraw/zinc/13/22/40/1017132240.db2.gz RZDMRLVNDGABBO-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM CC[C@@H](C)CN(C)C(=O)N=c1[n-]nc(-c2cc(F)ccc2C)s1 ZINC000471345268 1017136540 /nfs/dbraw/zinc/13/65/40/1017136540.db2.gz FDDQWGFESHJRGM-SNVBAGLBSA-N -1 0 336.436 3.584 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N2CCC[C@@H](C)[C@@H]2C)s1 ZINC000471346059 1017143965 /nfs/dbraw/zinc/14/39/65/1017143965.db2.gz KVXGBVWIYYMADW-PWSUYJOCSA-N -1 0 348.447 3.727 20 0 EHADRM CC(C)CCOc1ccc([N-]S(=O)(=O)c2ccco2)c(F)c1 ZINC000655600178 1017164062 /nfs/dbraw/zinc/16/40/62/1017164062.db2.gz ZDDPQWQHRRUKFH-UHFFFAOYSA-N -1 0 327.377 3.644 20 0 EHADRM Cc1ccc2c(CC(=O)N3[C@H](C(=O)[O-])C[C@H]4CCCC[C@@H]43)coc2c1 ZINC000237814213 1017192049 /nfs/dbraw/zinc/19/20/49/1017192049.db2.gz MPCHMIKRWHGFPY-COXVUDFISA-N -1 0 341.407 3.528 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N(C)CC2CCCC2)s1 ZINC000471375217 1017211756 /nfs/dbraw/zinc/21/17/56/1017211756.db2.gz WOUJWRXKYBRWHP-UHFFFAOYSA-N -1 0 348.447 3.728 20 0 EHADRM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000668298640 1017225207 /nfs/dbraw/zinc/22/52/07/1017225207.db2.gz FZSAPRINFHQQOP-JMLCCBQJSA-N -1 0 347.455 3.886 20 0 EHADRM Cc1ccc([C@H]([N-]S(=O)(=O)Cc2cccc(C)c2)C(F)(F)F)o1 ZINC000655660536 1017348469 /nfs/dbraw/zinc/34/84/69/1017348469.db2.gz JUIYVVUSHZFURS-AWEZNQCLSA-N -1 0 347.358 3.619 20 0 EHADRM COc1ccc(NC(=O)c2cc(F)c([O-])c(F)c2)cc1OC(C)C ZINC000183565091 1017351368 /nfs/dbraw/zinc/35/13/68/1017351368.db2.gz RQRBROAZRLZJQC-UHFFFAOYSA-N -1 0 337.322 3.719 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000471395322 1017353579 /nfs/dbraw/zinc/35/35/79/1017353579.db2.gz ZAAUSBBCLZWOMZ-CYBMUJFWSA-N -1 0 345.468 3.693 20 0 EHADRM O=C(NCc1ccccc1N1CCCCC1)c1ccc([O-])c(Cl)c1 ZINC000183606977 1017359946 /nfs/dbraw/zinc/35/99/46/1017359946.db2.gz FLWLPWBSDLZPPU-UHFFFAOYSA-N -1 0 344.842 3.966 20 0 EHADRM O=C(N[C@H]1CCCOc2c(F)cccc21)c1ccc([O-])c(Cl)c1 ZINC000183615450 1017364257 /nfs/dbraw/zinc/36/42/57/1017364257.db2.gz QXBXOVWCMYHXEH-AWEZNQCLSA-N -1 0 335.762 3.828 20 0 EHADRM Fc1cccc(Cc2n[n-]c(=NCc3cc(F)ccc3F)s2)c1 ZINC000537406891 1032710205 /nfs/dbraw/zinc/71/02/05/1032710205.db2.gz HLGZPSCZONTPNX-UHFFFAOYSA-N -1 0 335.354 3.580 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)COc3ccc(F)cc3)ccc2s1 ZINC000238207944 1017643933 /nfs/dbraw/zinc/64/39/33/1017643933.db2.gz FZCMGQMZMDLMDT-UHFFFAOYSA-N -1 0 345.351 3.756 20 0 EHADRM O=c1nc(CN2Cc3ccccc3C3(CCC3)C2)[n-]c2ccsc21 ZINC000375619252 1017646065 /nfs/dbraw/zinc/64/60/65/1017646065.db2.gz WTOUKTKXRDGYMO-UHFFFAOYSA-N -1 0 337.448 3.834 20 0 EHADRM CCc1n[n-]c(=NC(=O)N2CC[C@H](c3ccccc3)[C@@H](CC)C2)s1 ZINC000472762623 1017759169 /nfs/dbraw/zinc/75/91/69/1017759169.db2.gz MAVYFNWBASCHJN-ZFWWWQNUSA-N -1 0 344.484 3.570 20 0 EHADRM O=C(c1ccc(Cl)c([O-])c1)N1CCC(Oc2cccc(F)c2)CC1 ZINC001167716153 1017763482 /nfs/dbraw/zinc/76/34/82/1017763482.db2.gz UEUKBDBNLKENCV-UHFFFAOYSA-N -1 0 349.789 3.868 20 0 EHADRM O=C(N[C@@H]1COc2c1cccc2Cl)c1cc(F)c([O-])c(Cl)c1 ZINC000683627973 1017795824 /nfs/dbraw/zinc/79/58/24/1017795824.db2.gz XBXMDUMLVSIZAF-GFCCVEGCSA-N -1 0 342.153 3.702 20 0 EHADRM Cc1cc(C)cc([C@@H](C)NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000655867908 1017823887 /nfs/dbraw/zinc/82/38/87/1017823887.db2.gz MZFBBVMWDQIURQ-TXCZRRACSA-N -1 0 346.471 3.799 20 0 EHADRM CCOC(=O)c1cnc(Cl)cc1Nc1ccc(C(=O)[O-])c(C)c1 ZINC001211649852 1017874834 /nfs/dbraw/zinc/87/48/34/1017874834.db2.gz BVCBULAAZRWQRT-UHFFFAOYSA-N -1 0 334.759 3.662 20 0 EHADRM CC(C)CN(C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1CCCC1 ZINC000655900373 1017876916 /nfs/dbraw/zinc/87/69/16/1017876916.db2.gz RMUKLODZWGZEKC-CWRNSKLLSA-N -1 0 338.492 3.732 20 0 EHADRM Cc1[nH]c2ccc(C(=O)N[C@H]3CCCCC[C@H]3C(=O)[O-])cc2c1C ZINC000325402617 1032742226 /nfs/dbraw/zinc/74/22/26/1032742226.db2.gz PQNSPFFVZYHMST-ZBFHGGJFSA-N -1 0 328.412 3.548 20 0 EHADRM Cc1c(Br)cccc1NC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC000653296811 1018305679 /nfs/dbraw/zinc/30/56/79/1018305679.db2.gz ANGFYUCWFIULHB-HNNXBMFYSA-N -1 0 338.201 3.507 20 0 EHADRM O=S(=O)(NC1CCC(F)(F)CC1)c1ccc(C(F)(F)F)s1 ZINC000462069463 1018330597 /nfs/dbraw/zinc/33/05/97/1018330597.db2.gz HIKMCDISIQWAJV-UHFFFAOYSA-N -1 0 349.346 3.623 20 0 EHADRM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cccc(F)c2C)n[nH]1 ZINC000471505008 1018397072 /nfs/dbraw/zinc/39/70/72/1018397072.db2.gz BLZRXPCMGRWJJJ-JTQLQIEISA-N -1 0 325.409 3.562 20 0 EHADRM Cc1ccnc(N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1Br ZINC000656091512 1018520830 /nfs/dbraw/zinc/52/08/30/1018520830.db2.gz FKNUVRTURKAGSS-GARJFASQSA-N -1 0 341.249 3.700 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c(O)c1 ZINC000129510762 1018637572 /nfs/dbraw/zinc/63/75/72/1018637572.db2.gz ZPWFGJISZVUNKH-UHFFFAOYSA-N -1 0 348.207 3.508 20 0 EHADRM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000319221267 1018743464 /nfs/dbraw/zinc/74/34/64/1018743464.db2.gz PVOBDDLCXCZLGV-DVYJOKAKSA-N -1 0 343.210 3.710 20 0 EHADRM CCCOc1ccc(/C=C\C(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000255166995 1018759979 /nfs/dbraw/zinc/75/99/79/1018759979.db2.gz CJAQRPSQKWXGGH-XFXZXTDPSA-N -1 0 339.391 3.754 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nc2)c2ccccc12 ZINC000067244138 1018924707 /nfs/dbraw/zinc/92/47/07/1018924707.db2.gz APBMOEJDQFXYGX-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000404268145 1019010744 /nfs/dbraw/zinc/01/07/44/1019010744.db2.gz WWBIQKRYAZNKIN-UHFFFAOYSA-N -1 0 339.606 3.974 20 0 EHADRM Cc1cc(C)c(C(N)=O)c(Nc2cc(Cl)c([O-])c(Cl)c2)n1 ZINC001210924815 1019042587 /nfs/dbraw/zinc/04/25/87/1019042587.db2.gz SJQYSJVIVXCBBY-UHFFFAOYSA-N -1 0 326.183 3.553 20 0 EHADRM Cc1nc(CC(C)C)c([N-]S(=O)(=O)Cc2cccc(F)c2)s1 ZINC000340638433 1019050661 /nfs/dbraw/zinc/05/06/61/1019050661.db2.gz CPTOXVLVABEDKD-UHFFFAOYSA-N -1 0 342.461 3.731 20 0 EHADRM COC(=O)c1c(O)cccc1Nc1cc(Cl)c([O-])c(Cl)c1 ZINC001210929086 1019077395 /nfs/dbraw/zinc/07/73/95/1019077395.db2.gz SHEFYROWXVPZNJ-UHFFFAOYSA-N -1 0 328.151 3.935 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)c(C)o1 ZINC000345095785 1019086958 /nfs/dbraw/zinc/08/69/58/1019086958.db2.gz AEETUDLVFZYPPS-UHFFFAOYSA-N -1 0 344.230 3.768 20 0 EHADRM COC(=O)c1nc(Cl)c(Cl)nc1Nc1cccc([S-])c1 ZINC001210945663 1019096137 /nfs/dbraw/zinc/09/61/37/1019096137.db2.gz QUWKHTZOGQKILN-UHFFFAOYSA-N -1 0 330.196 3.602 20 0 EHADRM CCSc1ccc(Cl)cc1[N-]C(=S)NC1CCOCC1 ZINC000729163344 1019212404 /nfs/dbraw/zinc/21/24/04/1019212404.db2.gz YHBGTBAWRYVMDH-UHFFFAOYSA-N -1 0 330.906 3.917 20 0 EHADRM Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc([O-])c(Cl)c2)c(C)c1 ZINC000729237762 1019245390 /nfs/dbraw/zinc/24/53/90/1019245390.db2.gz HKSPYTJEXYCQDG-GFCCVEGCSA-N -1 0 347.798 3.846 20 0 EHADRM O=C([N-][C@@H](c1ccc(Br)cc1)C1CCC1)C(F)(F)F ZINC000729328143 1019294903 /nfs/dbraw/zinc/29/49/03/1019294903.db2.gz OCZIBEZYXSWIRN-LLVKDONJSA-N -1 0 336.151 3.969 20 0 EHADRM Cc1ccc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)c2cc[nH]c21 ZINC001167939967 1019302474 /nfs/dbraw/zinc/30/24/74/1019302474.db2.gz SNWDKNXRFQUDKH-UHFFFAOYSA-N -1 0 342.335 3.561 20 0 EHADRM O=C(NCc1ccc(Oc2cccc3ccccc32)cc1)c1cn[nH]n1 ZINC000513229614 1019426904 /nfs/dbraw/zinc/42/69/04/1019426904.db2.gz BLLDCOBBZPKAMD-UHFFFAOYSA-N -1 0 344.374 3.680 20 0 EHADRM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000436026692 1019478462 /nfs/dbraw/zinc/47/84/62/1019478462.db2.gz KKIXHCTWJHBCDJ-UHFFFAOYSA-N -1 0 333.306 3.954 20 0 EHADRM C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC000262001832 1019512689 /nfs/dbraw/zinc/51/26/89/1019512689.db2.gz DNZRCCBXRPOPDN-GGZOMVNGSA-N -1 0 342.222 3.550 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@@]2(C)C(=O)[O-])sc1-c1ccccc1 ZINC000656242460 1019558536 /nfs/dbraw/zinc/55/85/36/1019558536.db2.gz XMLRMMOOPMVOLN-SFHVURJKSA-N -1 0 329.421 3.803 20 0 EHADRM Cc1c2ccccc2oc1[C@H](NC(=O)[C@H]1CC[C@@H]1C(=O)[O-])C(C)C ZINC000262238087 1019569991 /nfs/dbraw/zinc/56/99/91/1019569991.db2.gz VYTULPVDNHIYJA-OFQRWUPVSA-N -1 0 329.396 3.665 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1OC(F)F ZINC000513369380 1019587939 /nfs/dbraw/zinc/58/79/39/1019587939.db2.gz DOJGIOCVBSIDLB-UHFFFAOYSA-N -1 0 349.305 3.675 20 0 EHADRM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3cccc(C)c3F)c2)o1 ZINC000513439137 1019671222 /nfs/dbraw/zinc/67/12/22/1019671222.db2.gz UZUWOMYYRXOYNV-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM Cc1c(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c2ccccc2n1C ZINC000340731338 1019716121 /nfs/dbraw/zinc/71/61/21/1019716121.db2.gz BRFCWCVOZGFTJX-UHFFFAOYSA-N -1 0 339.420 3.769 20 0 EHADRM Cc1noc(C(C)C)c1C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000262733672 1019719210 /nfs/dbraw/zinc/71/92/10/1019719210.db2.gz HNSBPPFIYVBQTN-LLVKDONJSA-N -1 0 330.384 3.622 20 0 EHADRM C[C@@H]1CN(C(=O)c2cccc(Oc3ccccc3)c2)CC[C@H]1C(=O)[O-] ZINC000262891801 1019759956 /nfs/dbraw/zinc/75/99/56/1019759956.db2.gz HMNXDHVXVPHAOZ-RDTXWAMCSA-N -1 0 339.391 3.662 20 0 EHADRM C[C@]1(NC(=O)c2[nH]c3ccccc3c2Cl)CCCC[C@@H]1C(=O)[O-] ZINC000262928176 1019767694 /nfs/dbraw/zinc/76/76/94/1019767694.db2.gz ZZIAKZRIPJYDSA-DIFFPNOSSA-N -1 0 334.803 3.585 20 0 EHADRM CC1(C)C(C(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)C1(C)C ZINC000262940406 1019773001 /nfs/dbraw/zinc/77/30/01/1019773001.db2.gz HQPGQQVSYOBXRE-UHFFFAOYSA-N -1 0 343.467 3.848 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)NCCC(C)(C)C(=O)[O-] ZINC000262966616 1019780370 /nfs/dbraw/zinc/78/03/70/1019780370.db2.gz JOYNVQLBFGIBIS-UHFFFAOYSA-N -1 0 335.469 3.976 20 0 EHADRM CC[C@@H](C(=O)Nc1ccc(C(=O)[O-])c(OC)c1)c1ccc(OC)cc1 ZINC000263008029 1019786981 /nfs/dbraw/zinc/78/69/81/1019786981.db2.gz RUVGIEGCQCHGEH-OAHLLOKOSA-N -1 0 343.379 3.534 20 0 EHADRM Cc1ccc2c(C(=O)N3CCC4(C[C@H]4C(=O)[O-])CC3)csc2c1 ZINC000263165061 1019830190 /nfs/dbraw/zinc/83/01/90/1019830190.db2.gz PGJQOISPFZZPOU-AWEZNQCLSA-N -1 0 329.421 3.537 20 0 EHADRM C[C@H](CCNC(=O)CCCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000263261263 1019854967 /nfs/dbraw/zinc/85/49/67/1019854967.db2.gz GMWPYCUNGDZBQB-GFCCVEGCSA-N -1 0 345.361 3.960 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1ccc(C(=O)[O-])c(C)n1 ZINC000263352242 1019883658 /nfs/dbraw/zinc/88/36/58/1019883658.db2.gz QDZSEWDYQYHJIY-INIZCTEOSA-N -1 0 340.423 3.572 20 0 EHADRM Cc1ccc([C@H]2CCCCCN2C(=O)c2ccc(C(=O)[O-])c(C)n2)o1 ZINC000263371684 1019886687 /nfs/dbraw/zinc/88/66/87/1019886687.db2.gz YLAGGBKTXYDWAC-MRXNPFEDSA-N -1 0 342.395 3.747 20 0 EHADRM Cc1cc(C)cc(C(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)c1 ZINC000058035577 1019940470 /nfs/dbraw/zinc/94/04/70/1019940470.db2.gz YFUYWRWRKXAUFV-UHFFFAOYSA-N -1 0 341.432 3.925 20 0 EHADRM C[C@H]1C(=O)CC[C@@H](C(=O)Nc2cc(F)cc(Cl)c2[O-])C1(C)C ZINC000275947529 1019961890 /nfs/dbraw/zinc/96/18/90/1019961890.db2.gz KBEPHHAJUJWUCF-WPRPVWTQSA-N -1 0 327.783 3.765 20 0 EHADRM CCC1CCC(N(C(=O)N=c2[n-]nc(C3CC3)s2)C2CC2)CC1 ZINC000580808195 1020039279 /nfs/dbraw/zinc/03/92/79/1020039279.db2.gz NCFBHLYGZLTPHT-UHFFFAOYSA-N -1 0 334.489 3.803 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc(Oc3cccnc3)cc2)CCCC1 ZINC000345206167 1020060621 /nfs/dbraw/zinc/06/06/21/1020060621.db2.gz UXDNMROPXFXTME-UHFFFAOYSA-N -1 0 340.379 3.848 20 0 EHADRM CCOc1cccc([N-]S(=O)(=O)c2cccc3c2N=S=N3)c1 ZINC000055652143 1020095381 /nfs/dbraw/zinc/09/53/81/1020095381.db2.gz ABXGJAMIJRBYFM-UHFFFAOYSA-N -1 0 335.410 3.613 20 0 EHADRM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000055652247 1020097641 /nfs/dbraw/zinc/09/76/41/1020097641.db2.gz JRWITXXCBCMRNI-UHFFFAOYSA-N -1 0 341.379 3.861 20 0 EHADRM CC[C@@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)c1nc(C)cs1 ZINC000155914549 1020228086 /nfs/dbraw/zinc/22/80/86/1020228086.db2.gz UOFXHQUYOAHBCO-SNVBAGLBSA-N -1 0 333.438 3.763 20 0 EHADRM Cc1c2cc(F)ccc2oc1C([O-])=C(C#N)C(=O)NC1CCCCC1 ZINC000050679510 1020366655 /nfs/dbraw/zinc/36/66/55/1020366655.db2.gz VIUCCGHSTJSSIR-HNNXBMFYSA-N -1 0 342.370 3.652 20 0 EHADRM CC(C)C[C@@H](C)n1nccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000581086264 1020412706 /nfs/dbraw/zinc/41/27/06/1020412706.db2.gz WAUFIGGYIVOKGC-LLVKDONJSA-N -1 0 343.399 3.569 20 0 EHADRM O=C(CCCc1ccc(O)c(F)c1)N1CCC(c2ccncc2)CC1 ZINC000430550589 1020644836 /nfs/dbraw/zinc/64/48/36/1020644836.db2.gz VQAOHQYUGZWADY-UHFFFAOYSA-N -1 0 342.414 3.655 20 0 EHADRM O=C([O-])[C@@H](CC(=O)N[C@@H]1C[C@H]1c1ccccc1Cl)c1ccccc1 ZINC000656485398 1020704179 /nfs/dbraw/zinc/70/41/79/1020704179.db2.gz MIZYNSAOOSPWHG-YQQAZPJKSA-N -1 0 343.810 3.571 20 0 EHADRM O=C(Nc1ccc(Oc2cccnc2)nc1)c1c([O-])cc(F)cc1F ZINC000089993695 1020905035 /nfs/dbraw/zinc/90/50/35/1020905035.db2.gz CWMPAEGUBDBTRR-UHFFFAOYSA-N -1 0 343.289 3.505 20 0 EHADRM C[C@@H](c1ccccc1)[C@H](NCc1csc(C(C)(C)C)n1)C(=O)[O-] ZINC000656569293 1020931185 /nfs/dbraw/zinc/93/11/85/1020931185.db2.gz NPMAMXKFUPMNTM-WFASDCNBSA-N -1 0 332.469 3.787 20 0 EHADRM CCOc1ccc(CN[C@H](C(=O)[O-])c2c(F)cccc2F)c(C)c1 ZINC000656574441 1020936633 /nfs/dbraw/zinc/93/66/33/1020936633.db2.gz VJNLOIMZMVHEJK-KRWDZBQOSA-N -1 0 335.350 3.587 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)NCc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000656585685 1020969212 /nfs/dbraw/zinc/96/92/12/1020969212.db2.gz ZEICJRUQCNGRTQ-ZDUSSCGKSA-N -1 0 345.226 3.531 20 0 EHADRM CCC[C@H](C)CC(=O)OCc1cc(=O)oc2cc(O)c(CC)cc12 ZINC000728341471 1021055100 /nfs/dbraw/zinc/05/51/00/1021055100.db2.gz YSUBIHDIWGQZNZ-LBPRGKRZSA-N -1 0 332.396 3.931 20 0 EHADRM CO[C@H](CS(=O)(=O)Nc1ccccc1C(F)F)C1CCCCC1 ZINC000656632243 1021063243 /nfs/dbraw/zinc/06/32/43/1021063243.db2.gz WBCIQYHJVICLCB-OAHLLOKOSA-N -1 0 347.427 3.961 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)c1ccccc1COc1ccccc1 ZINC000341198158 1021085471 /nfs/dbraw/zinc/08/54/71/1021085471.db2.gz SPNDZGZYMIRVFS-UHFFFAOYSA-N -1 0 345.402 3.607 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000439124309 1021166784 /nfs/dbraw/zinc/16/67/84/1021166784.db2.gz OEYSVWNBPHCUPA-CHWSQXEVSA-N -1 0 341.461 3.739 20 0 EHADRM O=C(N[C@@H]1CC=CCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000436765743 1021214327 /nfs/dbraw/zinc/21/43/27/1021214327.db2.gz BNBBJLRNEGLBOZ-SECBINFHSA-N -1 0 330.609 3.647 20 0 EHADRM N=c1[n-]nc(-c2ccc(OCCOc3cccc4ccccc43)cc2)o1 ZINC000439198045 1021233919 /nfs/dbraw/zinc/23/39/19/1021233919.db2.gz KMWPHTPSELJECN-UHFFFAOYSA-N -1 0 347.374 3.760 20 0 EHADRM CC(C)CCc1nc(COc2ccc(-c3n[n-]c(=N)o3)cc2)cs1 ZINC000439203057 1021237197 /nfs/dbraw/zinc/23/71/97/1021237197.db2.gz VKTPRBFRSKVGRF-UHFFFAOYSA-N -1 0 344.440 3.773 20 0 EHADRM CCc1ccc(C(=O)Nc2ccc(NC(=O)NC(C)C)cc2)c(O)c1 ZINC000436798126 1021241343 /nfs/dbraw/zinc/24/13/43/1021241343.db2.gz JTGBPIRNSXOZPC-UHFFFAOYSA-N -1 0 341.411 3.737 20 0 EHADRM CC(C)(C)c1cc(C(=O)Nc2cc(Br)ccc2O)no1 ZINC000436797281 1021241733 /nfs/dbraw/zinc/24/17/33/1021241733.db2.gz DSVVDLOVECYQDD-UHFFFAOYSA-N -1 0 339.189 3.693 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(F)c(F)c1[O-] ZINC001625988456 1032967661 /nfs/dbraw/zinc/96/76/61/1032967661.db2.gz XMKVFGIFWLLHFU-MJVIPROJSA-N -1 0 327.371 3.983 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H](C)COc2ccccc2)c1 ZINC000436829847 1021262033 /nfs/dbraw/zinc/26/20/33/1021262033.db2.gz BXZZUKUILLYEJB-CYBMUJFWSA-N -1 0 327.380 3.639 20 0 EHADRM CCc1ccc(O)c(NC(=O)c2ccc(Br)cc2[O-])c1 ZINC000436836884 1021268690 /nfs/dbraw/zinc/26/86/90/1021268690.db2.gz GCIGNOGKZVOZIE-UHFFFAOYSA-N -1 0 336.185 3.675 20 0 EHADRM CCOC(=O)c1cnc(C(C)=Cc2cc3cc(F)ccc3o2)[nH]c1=O ZINC000427271493 1021270134 /nfs/dbraw/zinc/27/01/34/1021270134.db2.gz FUCGCIDQUVZOIJ-POHAHGRESA-N -1 0 342.326 3.805 20 0 EHADRM C[C@]1(C2CC2)CN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CCO1 ZINC000656757695 1021278172 /nfs/dbraw/zinc/27/81/72/1021278172.db2.gz RBQKSCYHWTYPRS-GOEBONIOSA-N -1 0 344.238 3.620 20 0 EHADRM C[C@@H]1C[C@H](CCNC(=O)c2c([O-])cc(Cl)cc2Cl)CCO1 ZINC000436839080 1021281749 /nfs/dbraw/zinc/28/17/49/1021281749.db2.gz OELSFBWEWAKLOI-NXEZZACHSA-N -1 0 332.227 3.634 20 0 EHADRM CSC[C@@H]1CCCN(C(=O)c2c([O-])cc(Cl)cc2Cl)C1 ZINC000436852328 1021296289 /nfs/dbraw/zinc/29/62/89/1021296289.db2.gz IBDKFOJSOUNVJJ-SECBINFHSA-N -1 0 334.268 3.914 20 0 EHADRM C[C@H]1CCCN(C(=O)c2cc(F)cc(Br)c2[O-])CC1 ZINC000436860821 1021299140 /nfs/dbraw/zinc/29/91/40/1021299140.db2.gz YLWMMXVELZFGIJ-VIFPVBQESA-N -1 0 330.197 3.556 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@H]2SCCc3ccccc32)c1 ZINC000436862495 1021299779 /nfs/dbraw/zinc/29/97/79/1021299779.db2.gz OFYNMVSAMLEFGI-KRWDZBQOSA-N -1 0 327.405 3.564 20 0 EHADRM COc1cccc(OC)c1/C=C/c1nc2c(cccc2C(=O)[O-])o1 ZINC000439272478 1021305968 /nfs/dbraw/zinc/30/59/68/1021305968.db2.gz IPOHOQQLTCTAMO-MDZDMXLPSA-N -1 0 325.320 3.714 20 0 EHADRM C[C@H](N=c1[n-]c(-c2cccc(Cl)c2)no1)c1ccc2c(c1)OCO2 ZINC000518594061 1021343672 /nfs/dbraw/zinc/34/36/72/1021343672.db2.gz MDGZOZFPIBIWOC-JTQLQIEISA-N -1 0 343.770 3.714 20 0 EHADRM Cn1nc2ccccc2c1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000436891169 1021343839 /nfs/dbraw/zinc/34/38/39/1021343839.db2.gz HVBDZVDGKZUXID-UHFFFAOYSA-N -1 0 336.178 3.838 20 0 EHADRM Cc1ccc(OCCCC(=O)[N-]S(=O)(=O)Cc2ccccc2)cc1 ZINC000048595029 1021404763 /nfs/dbraw/zinc/40/47/63/1021404763.db2.gz BUCOZGLOKXRORB-UHFFFAOYSA-N -1 0 347.436 3.641 20 0 EHADRM O=C(C=Cc1ccc(Cl)s1)[N-]S(=O)(=O)Cc1ccccc1 ZINC000048596377 1021418739 /nfs/dbraw/zinc/41/87/39/1021418739.db2.gz GZJCEHXTTFBODV-CLFYSBASSA-N -1 0 341.841 3.901 20 0 EHADRM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436954326 1021419734 /nfs/dbraw/zinc/41/97/34/1021419734.db2.gz VPFJAYUDEZGJRC-KBPBESRZSA-N -1 0 343.826 3.850 20 0 EHADRM CC(C)Cn1cc(NC(=O)c2cc(F)c([O-])c(F)c2)c(C(F)F)n1 ZINC000436968610 1021439923 /nfs/dbraw/zinc/43/99/23/1021439923.db2.gz UMUIQPHTSFQYBD-UHFFFAOYSA-N -1 0 345.296 3.713 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)NC[C@H]1CCCC(F)(F)C1)C1CCCCC1 ZINC000507691183 1021444336 /nfs/dbraw/zinc/44/43/36/1021444336.db2.gz DNCYQQZALLYPNY-SUMWQHHRSA-N -1 0 345.430 3.989 20 0 EHADRM O=C(N[C@@H]1CC[C@H](c2ccc(F)cc2)C1)c1cc(F)c([O-])c(F)c1 ZINC000436999586 1021471097 /nfs/dbraw/zinc/47/10/97/1021471097.db2.gz KAGUODJVBSHRSE-SMDDNHRTSA-N -1 0 335.325 3.876 20 0 EHADRM C[C@@H](Oc1ccc([C@H](C)NC(=O)[C@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC000656851920 1021485012 /nfs/dbraw/zinc/48/50/12/1021485012.db2.gz RZIMCUPIVXZOQF-SOUVJXGZSA-N -1 0 341.407 3.725 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)NCc1sccc1C ZINC000516529628 1021519272 /nfs/dbraw/zinc/51/92/72/1021519272.db2.gz PRKNKQJKTZMGKQ-OAHLLOKOSA-N -1 0 346.452 3.804 20 0 EHADRM CCc1cc2c(ncnc2N[C@@H](C)c2ncc(C(=O)[O-])s2)s1 ZINC000518776448 1021535154 /nfs/dbraw/zinc/53/51/54/1021535154.db2.gz BXXVLJRBQVZZCG-ZETCQYMHSA-N -1 0 334.426 3.582 20 0 EHADRM CC(C)=C[C@H]1[C@H](C(=O)[N-]S(=O)(=O)c2ccc(F)c(F)c2)C1(C)C ZINC000048617367 1021587163 /nfs/dbraw/zinc/58/71/63/1021587163.db2.gz OWKCRIAUCRMKPZ-SMDDNHRTSA-N -1 0 343.395 3.848 20 0 EHADRM Cc1oc([N-]S(=O)(=O)c2csc3ccccc32)nc1C1CC1 ZINC000519686469 1021621362 /nfs/dbraw/zinc/62/13/62/1021621362.db2.gz PSPPFAZCPQUCAO-UHFFFAOYSA-N -1 0 334.422 3.876 20 0 EHADRM CCCCCc1nnc([N-]S(=O)(=O)c2cc(C)cc(F)c2)s1 ZINC000437176652 1021625715 /nfs/dbraw/zinc/62/57/15/1021625715.db2.gz PVBLJTXUTIAAMJ-UHFFFAOYSA-N -1 0 343.449 3.519 20 0 EHADRM CN(CCCC(=O)[O-])Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000430655257 1021720654 /nfs/dbraw/zinc/72/06/54/1021720654.db2.gz PVXZPFYKDOBSDC-UHFFFAOYSA-N -1 0 338.860 3.684 20 0 EHADRM CC(C)(C)c1cnc([N-]S(=O)(=O)c2cccc3cccnc32)s1 ZINC000437318171 1021726980 /nfs/dbraw/zinc/72/69/80/1021726980.db2.gz KVYXFQPXQLJOOX-UHFFFAOYSA-N -1 0 347.465 3.790 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)Nc1cccc(Cl)c1N(C)C ZINC000437331648 1021740619 /nfs/dbraw/zinc/74/06/19/1021740619.db2.gz GOVSCUNKUYAKFA-UHFFFAOYSA-N -1 0 342.823 3.654 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000437361272 1021772953 /nfs/dbraw/zinc/77/29/53/1021772953.db2.gz CLKNNOBXQSSEPE-UHFFFAOYSA-N -1 0 341.720 3.700 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CCC(=O)c1cccs1 ZINC000439946228 1021839722 /nfs/dbraw/zinc/83/97/22/1021839722.db2.gz OZIRXNFRUBZFKO-UHFFFAOYSA-N -1 0 331.393 3.665 20 0 EHADRM CC[C@H](c1ccc(Cl)cc1Cl)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000516932271 1021868566 /nfs/dbraw/zinc/86/85/66/1021868566.db2.gz HXRQMDZVIYMUME-SMDDNHRTSA-N -1 0 332.227 3.620 20 0 EHADRM O=S(=O)([N-]c1cccc2ccc(O)cc21)c1ccc(F)cc1F ZINC000439985947 1021880724 /nfs/dbraw/zinc/88/07/24/1021880724.db2.gz HOVGWMCXSMXLGY-UHFFFAOYSA-N -1 0 335.331 3.624 20 0 EHADRM CCc1nc([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)sc1C ZINC000178180665 1021967019 /nfs/dbraw/zinc/96/70/19/1021967019.db2.gz JNDUZQYSBJIOBS-CMDGGOBGSA-N -1 0 326.418 3.566 20 0 EHADRM C[C@@H](N=c1nc(C2CC2)[n-]s1)c1nc2ccccc2n1C(F)F ZINC000426583155 1021973747 /nfs/dbraw/zinc/97/37/47/1021973747.db2.gz CPGUAKUHLLGJPI-MRVPVSSYSA-N -1 0 335.383 3.755 20 0 EHADRM C[C@H](N=c1nc(C2CC2)[n-]s1)c1nc2ccccc2n1C(F)F ZINC000426583156 1021974270 /nfs/dbraw/zinc/97/42/70/1021974270.db2.gz CPGUAKUHLLGJPI-QMMMGPOBSA-N -1 0 335.383 3.755 20 0 EHADRM CCc1noc(C)c1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000164853046 1021981735 /nfs/dbraw/zinc/98/17/35/1021981735.db2.gz ADMJDHOTIJZVQX-UHFFFAOYSA-N -1 0 341.241 3.715 20 0 EHADRM O=S(=O)([N-]c1cccc(COc2cccc(F)c2)c1)c1ccco1 ZINC000437678006 1022048868 /nfs/dbraw/zinc/04/88/68/1022048868.db2.gz XELBNLOVVVHFGP-UHFFFAOYSA-N -1 0 347.367 3.799 20 0 EHADRM O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cl)c1cccnc1 ZINC000135660927 1123636653 /nfs/dbraw/zinc/63/66/53/1123636653.db2.gz QPNBVXSRZOWDNX-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM CCSCC[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000437697193 1022065861 /nfs/dbraw/zinc/06/58/61/1022065861.db2.gz LXAKZVHWHMMJRU-SECBINFHSA-N -1 0 342.313 3.803 20 0 EHADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000440294706 1022073551 /nfs/dbraw/zinc/07/35/51/1022073551.db2.gz VQVMOJNYPKYBJZ-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM Cc1ccc(Sc2nc(=NC(=O)c3cccs3)s[n-]2)cc1 ZINC000440316828 1022086792 /nfs/dbraw/zinc/08/67/92/1022086792.db2.gz PQUZFIXYDCCFAV-UHFFFAOYSA-N -1 0 333.463 3.733 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cc(C)c(F)cc2F)c(C)c1 ZINC000440301586 1022087516 /nfs/dbraw/zinc/08/75/16/1022087516.db2.gz DPVRXYFVBYIDEA-UHFFFAOYSA-N -1 0 341.379 3.781 20 0 EHADRM O=C([O-])c1ccc2c(c1)N(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)CC2 ZINC000326365383 1022092148 /nfs/dbraw/zinc/09/21/48/1022092148.db2.gz SVSXWEDVCQPASS-YPMHNXCESA-N -1 0 341.329 3.643 20 0 EHADRM COc1cc(F)c(C(=O)Nc2ccc(F)c(F)c2[O-])c(Cl)c1 ZINC001625991707 1033033803 /nfs/dbraw/zinc/03/38/03/1033033803.db2.gz FRUUVABNULJGMC-UHFFFAOYSA-N -1 0 331.677 3.724 20 0 EHADRM O=c1cc(-c2noc(-c3ccccc3OC3CCCCC3)n2)nc[nH]1 ZINC000520405430 1022211078 /nfs/dbraw/zinc/21/10/78/1022211078.db2.gz HXPAYSXDFPZLDY-UHFFFAOYSA-N -1 0 338.367 3.611 20 0 EHADRM Cc1cc(NC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)ccc1C(F)(F)F ZINC000574324017 1033041685 /nfs/dbraw/zinc/04/16/85/1033041685.db2.gz QGHGEJQKXKJPQN-BXKDBHETSA-N -1 0 344.333 3.588 20 0 EHADRM C[C@@H](NC(=O)N=c1nc(C(C)(C)C)[n-]s1)[C@@H](C)c1ccccc1 ZINC000473622146 1022264977 /nfs/dbraw/zinc/26/49/77/1022264977.db2.gz UBUZDSHNSSAZJO-VXGBXAGGSA-N -1 0 332.473 3.571 20 0 EHADRM O=C(N=c1[n-]nc2ccccn21)N(Cc1ccccc1)C1CCCCC1 ZINC000438024486 1022329179 /nfs/dbraw/zinc/32/91/79/1022329179.db2.gz RCWUSTWVLUDPRP-UHFFFAOYSA-N -1 0 349.438 3.518 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)NC[C@@H]1CC=CCC1 ZINC000581922105 1022399771 /nfs/dbraw/zinc/39/97/71/1022399771.db2.gz JWFUTRMKFHKCDZ-NVXWUHKLSA-N -1 0 330.428 3.590 20 0 EHADRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000048961840 1022421171 /nfs/dbraw/zinc/42/11/71/1022421171.db2.gz RVUSHNVUWKIDSQ-UHFFFAOYSA-N -1 0 332.208 3.803 20 0 EHADRM CO[C@H](C)c1nc(=Nc2ccc3c(c2)OC2(CCCCC2)O3)s[n-]1 ZINC000328820674 1022495711 /nfs/dbraw/zinc/49/57/11/1022495711.db2.gz QVCWIITWNJTMSG-LLVKDONJSA-N -1 0 347.440 3.843 20 0 EHADRM COc1cc(Nc2c(C)nc(Cl)nc2Cl)cc(C(=O)[O-])c1 ZINC001213585064 1022510505 /nfs/dbraw/zinc/51/05/05/1022510505.db2.gz PCHDGJRBXCZOSQ-UHFFFAOYSA-N -1 0 328.155 3.542 20 0 EHADRM Cc1nc(CNCc2ccc(Cl)cc2Cl)ccc1C(=O)[O-] ZINC000426663595 1022548470 /nfs/dbraw/zinc/54/84/70/1022548470.db2.gz MFYSNEDXHYDCSU-UHFFFAOYSA-N -1 0 325.195 3.685 20 0 EHADRM CCOc1c(Cl)cc(NC(=O)NCCCCC(=O)[O-])cc1Cl ZINC000669503610 1033065992 /nfs/dbraw/zinc/06/59/92/1033065992.db2.gz VVIQTMLUFFDXDR-UHFFFAOYSA-N -1 0 349.214 3.769 20 0 EHADRM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)c1s[n-]c(=O)c1Cl ZINC000550150594 1022579188 /nfs/dbraw/zinc/57/91/88/1022579188.db2.gz RLZPZGORVAEBHR-ZETCQYMHSA-N -1 0 331.224 3.989 20 0 EHADRM CCc1cc([N-]S(=O)(=O)c2cc(C(C)C)ccc2Cl)n(C)n1 ZINC000330500442 1022605044 /nfs/dbraw/zinc/60/50/44/1022605044.db2.gz OWGAHSZOOZRLEY-UHFFFAOYSA-N -1 0 341.864 3.560 20 0 EHADRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(C)sc2C)c1C ZINC000331099481 1022741975 /nfs/dbraw/zinc/74/19/75/1022741975.db2.gz NWZPIYQLDRMBAX-SECBINFHSA-N -1 0 327.475 3.642 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000430838053 1022766582 /nfs/dbraw/zinc/76/65/82/1022766582.db2.gz NQCPBCIDAYSZIG-GKCIPKSASA-N -1 0 329.403 3.554 20 0 EHADRM CCC[C@H](C(=O)[O-])[S@@](=O)Cc1ccccc1OCc1ccccc1 ZINC000593931900 1033079551 /nfs/dbraw/zinc/07/95/51/1033079551.db2.gz PGIWMBHTMWGWBS-KOSHJBKYSA-N -1 0 346.448 3.768 20 0 EHADRM Cc1n[n-]c(=NC(=O)NCC2(c3ccccc3C)CCCCC2)s1 ZINC000510639619 1022807402 /nfs/dbraw/zinc/80/74/02/1022807402.db2.gz XELZXMYIXRCUSL-UHFFFAOYSA-N -1 0 344.484 3.600 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000517961485 1022885576 /nfs/dbraw/zinc/88/55/76/1022885576.db2.gz QCDZNBMVDVXQCZ-QFYYESIMSA-N -1 0 327.371 3.669 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N(Cc1cccs1)C1CC1 ZINC000262093603 1022904766 /nfs/dbraw/zinc/90/47/66/1022904766.db2.gz CXDYEHDZIHBCEP-UHFFFAOYSA-N -1 0 329.421 3.570 20 0 EHADRM CCc1ccccc1[N-]S(=O)(=O)c1cc(OC)ccc1Cl ZINC000112266117 1022914318 /nfs/dbraw/zinc/91/43/18/1022914318.db2.gz ZVSNNYHXDIUGAI-UHFFFAOYSA-N -1 0 325.817 3.712 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc(F)c3ccccc23)Cc2ccccc21 ZINC000909423334 1022935299 /nfs/dbraw/zinc/93/52/99/1022935299.db2.gz NJAUNOOEJDHCRH-GOSISDBHSA-N -1 0 349.361 3.803 20 0 EHADRM C[C@H](Sc1ccccc1)C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000346013748 1022946087 /nfs/dbraw/zinc/94/60/87/1022946087.db2.gz KAEPXOXFZOEAPW-ZQIUZPCESA-N -1 0 343.448 3.745 20 0 EHADRM CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1cccc(C)c1 ZINC000518053519 1022950429 /nfs/dbraw/zinc/95/04/29/1022950429.db2.gz RRZBYBOGZBRIFN-UHFFFAOYSA-N -1 0 329.425 3.556 20 0 EHADRM CC(C)[C@@H](CC1CCCCC1)C(=O)N=c1cc([C@H]2CCCO2)[nH][nH]1 ZINC000473846994 1022951819 /nfs/dbraw/zinc/95/18/19/1022951819.db2.gz LAHNIDGXZIPWFJ-NVXWUHKLSA-N -1 0 333.476 3.864 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccccc2F)ccc1C(F)(F)F ZINC000438754178 1022978385 /nfs/dbraw/zinc/97/83/85/1022978385.db2.gz PCRFOJSCKCZQST-UHFFFAOYSA-N -1 0 333.306 3.954 20 0 EHADRM CC1(C)Cc2cccc(CN[C@@H](C(=O)[O-])c3c(F)cccc3F)c2O1 ZINC000426731261 1023001654 /nfs/dbraw/zinc/00/16/54/1023001654.db2.gz OGXRXINSZJQZQZ-MRXNPFEDSA-N -1 0 347.361 3.594 20 0 EHADRM COc1cc(Cl)ccc1C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000237171298 1023026817 /nfs/dbraw/zinc/02/68/17/1023026817.db2.gz MLQTUBJPOUJCQR-RUDMXATFSA-N -1 0 331.755 3.699 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])[NH2+]Cc2cc3c(ccc(C)c3C)[nH]2)o1 ZINC000426769013 1023033181 /nfs/dbraw/zinc/03/31/81/1023033181.db2.gz FELICFFCMJJWRN-QGZVFWFLSA-N -1 0 326.396 3.992 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])[NH2+]Cc2cc3ccc(F)cc3[nH]2)c1 ZINC000426772900 1023034299 /nfs/dbraw/zinc/03/42/99/1023034299.db2.gz MHPLVRQGQUIZGT-QGZVFWFLSA-N -1 0 342.370 3.621 20 0 EHADRM O=S(=O)([N-]c1ccccc1-c1cn[nH]c1)c1ccc(Cl)s1 ZINC000438823006 1023042398 /nfs/dbraw/zinc/04/23/98/1023042398.db2.gz XGTRSLQOUGEWCZ-UHFFFAOYSA-N -1 0 339.829 3.592 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(CN[C@H](Cc2ccco2)C(=O)[O-])o1 ZINC000426793128 1023051312 /nfs/dbraw/zinc/05/13/12/1023051312.db2.gz MCCWSBQDYLDOTH-QGZVFWFLSA-N -1 0 343.354 3.773 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(F)(F)F)c2)cn1 ZINC000430985185 1023082783 /nfs/dbraw/zinc/08/27/83/1023082783.db2.gz SQLQMAUMVQCNFG-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cc1)c1c(F)c(F)cc(F)c1F ZINC000430991074 1023095068 /nfs/dbraw/zinc/09/50/68/1023095068.db2.gz XOVKCEYAZIRXCH-UHFFFAOYSA-N -1 0 339.697 3.697 20 0 EHADRM C[C@@H]1CCN(c2ccnc3c(Br)cccc32)C[C@H]1C(=O)[O-] ZINC000518185129 1023112319 /nfs/dbraw/zinc/11/23/19/1023112319.db2.gz KHJZUMNEUIJOBI-ZYHUDNBSSA-N -1 0 349.228 3.544 20 0 EHADRM CCc1ccc(O)c(C(=O)N(Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000426984549 1023146003 /nfs/dbraw/zinc/14/60/03/1023146003.db2.gz RZZDAWGUQNQECQ-OAHLLOKOSA-N -1 0 345.464 3.838 20 0 EHADRM CCCCOc1ccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)c(O)c1 ZINC000190052357 1023157660 /nfs/dbraw/zinc/15/76/60/1023157660.db2.gz DJBYUARRHMOFDX-LBPRGKRZSA-N -1 0 345.361 3.986 20 0 EHADRM O=C([N-]C1(C(F)F)CC1)C(F)(F)c1cccc(Cl)c1Cl ZINC000843590045 1023198245 /nfs/dbraw/zinc/19/82/45/1023198245.db2.gz NPDVHDBSQTVMRK-UHFFFAOYSA-N -1 0 330.108 3.999 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@H]2N=c1[n-]nc(-c2ccon2)s1 ZINC000341727539 1023198307 /nfs/dbraw/zinc/19/83/07/1023198307.db2.gz JOOUNUOUBGQGSY-GFCCVEGCSA-N -1 0 330.413 3.642 20 0 EHADRM O=C(N=c1cc(-c2ccccc2)[nH][nH]1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000439017158 1023223092 /nfs/dbraw/zinc/22/30/92/1023223092.db2.gz ANLRAINPKZVRRK-UKRRQHHQSA-N -1 0 339.345 3.519 20 0 EHADRM C[C@@H](CC1CCCC1)C(=O)N=c1nc(Cc2ccccc2)[n-]s1 ZINC000510847882 1023269619 /nfs/dbraw/zinc/26/96/19/1023269619.db2.gz VLZQJTQUEDJWSO-ZDUSSCGKSA-N -1 0 329.469 3.706 20 0 EHADRM CCn1nccc1S(=O)(=O)[N-]c1c(C)cc(Cl)c2ccccc21 ZINC000471929589 1023293734 /nfs/dbraw/zinc/29/37/34/1023293734.db2.gz FFARIJFUDVRUIO-UHFFFAOYSA-N -1 0 349.843 3.819 20 0 EHADRM COc1cc(C)c([N-]S(=O)(=O)c2sc(C)cc2C)cc1C ZINC000431155997 1023350821 /nfs/dbraw/zinc/35/08/21/1023350821.db2.gz CWSCHIBWJVAFIQ-UHFFFAOYSA-N -1 0 325.455 3.791 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2OC(F)F)s1 ZINC000431169712 1023372586 /nfs/dbraw/zinc/37/25/86/1023372586.db2.gz UDVIUVFCQOPVSP-UHFFFAOYSA-N -1 0 333.381 3.767 20 0 EHADRM C[C@]1(Br)C[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000528947544 1033138604 /nfs/dbraw/zinc/13/86/04/1033138604.db2.gz RTHKWHBPACXFTN-KBUNVGBDSA-N -1 0 339.016 3.811 20 0 EHADRM C[C@@H]1[C@H](C(=O)Nc2cccc(Cl)c2[O-])CCN1c1ccccc1 ZINC000476335019 1033139572 /nfs/dbraw/zinc/13/95/72/1033139572.db2.gz JZVIXEUPAQPSGD-TZMCWYRMSA-N -1 0 330.815 3.899 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC000326896240 1023958203 /nfs/dbraw/zinc/95/82/03/1023958203.db2.gz HVCOFTPLQQILKH-KFKAGJAMSA-N -1 0 339.435 3.628 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)c2cccc(C3CCC3)c2)sc1C(=O)[O-] ZINC000909506071 1023973341 /nfs/dbraw/zinc/97/33/41/1023973341.db2.gz LARRPSPWJPNMHE-LLVKDONJSA-N -1 0 344.436 3.908 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cccc3ccsc32)cc1OC ZINC000443470725 1024012027 /nfs/dbraw/zinc/01/20/27/1024012027.db2.gz WYQWHVGMUMBXGY-UHFFFAOYSA-N -1 0 349.433 3.719 20 0 EHADRM O=C(NC[C@@H]1CC[C@H](O)C1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000191317496 1024056486 /nfs/dbraw/zinc/05/64/86/1024056486.db2.gz CVGOJDIGUZLYMT-DOMZBBRYSA-N -1 0 345.826 3.603 20 0 EHADRM C[C@H](CC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)C1CCCCC1 ZINC000262187081 1024056713 /nfs/dbraw/zinc/05/67/13/1024056713.db2.gz QRCCCMIMNKHKIL-KDOFPFPSSA-N -1 0 329.440 3.804 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)C(C)(C)C2CCCCC2)sc1C(=O)[O-] ZINC000909509781 1024061669 /nfs/dbraw/zinc/06/16/69/1024061669.db2.gz YVHKQFZTCNKZCD-LLVKDONJSA-N -1 0 338.473 3.933 20 0 EHADRM O=C(N=c1nc(-c2ccccc2)[n-]s1)c1sccc1C1CC1 ZINC000522234994 1024074476 /nfs/dbraw/zinc/07/44/76/1024074476.db2.gz OWEOYBYDKSLFFE-UHFFFAOYSA-N -1 0 327.434 3.818 20 0 EHADRM CNC(=O)c1ccc(-c2ccccc2CC2(C(=O)[O-])CC2)c(Cl)c1 ZINC000657203178 1024081988 /nfs/dbraw/zinc/08/19/88/1024081988.db2.gz JIZXDGJHJIGZIA-UHFFFAOYSA-N -1 0 343.810 3.774 20 0 EHADRM Cc1ccc(CC(=O)[O-])cc1-c1ccccc1OC[C@@H]1CCOC1 ZINC000657204118 1024082518 /nfs/dbraw/zinc/08/25/18/1024082518.db2.gz QSXVUGZAMTWCQY-MRXNPFEDSA-N -1 0 326.392 3.704 20 0 EHADRM CCCn1nc(C)c(-c2ccc3[nH]c(=O)cc(C(=O)[O-])c3c2)c1C ZINC000657205603 1024096045 /nfs/dbraw/zinc/09/60/45/1024096045.db2.gz VRGUYPAGHNGGCB-UHFFFAOYSA-N -1 0 325.368 3.529 20 0 EHADRM CC(C)(C)c1ccc([N-]S(=O)(=O)c2cccc(F)c2F)c(O)c1 ZINC000443530753 1024111765 /nfs/dbraw/zinc/11/17/65/1024111765.db2.gz ONXODGAOQQSMCN-UHFFFAOYSA-N -1 0 341.379 3.769 20 0 EHADRM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N=c1cc(C)c(C)n[n-]1 ZINC000467471596 1024117961 /nfs/dbraw/zinc/11/79/61/1024117961.db2.gz BLHCSKHYQRFIJN-QZTJIDSGSA-N -1 0 338.455 3.705 20 0 EHADRM CC(C)Oc1cccc([C@H](C)NC(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000236774791 1024121124 /nfs/dbraw/zinc/12/11/24/1024121124.db2.gz OLQPTFYDOMYJEY-NSHDSACASA-N -1 0 333.409 3.725 20 0 EHADRM CC(C)n1cc(-c2ccc(C(F)(F)F)cc2CO)cc1C(=O)[O-] ZINC000657207979 1024128841 /nfs/dbraw/zinc/12/88/41/1024128841.db2.gz WARWMAOYIXKIBO-UHFFFAOYSA-N -1 0 327.302 3.945 20 0 EHADRM COc1ccc(-c2ccc(C3(CO)CC3)cc2)cc1C1(C(=O)[O-])CC1 ZINC000657206736 1024129027 /nfs/dbraw/zinc/12/90/27/1024129027.db2.gz FISKKEUAISMRGD-UHFFFAOYSA-N -1 0 338.403 3.502 20 0 EHADRM CCOc1cc(CC(=O)[O-])c(-c2ccc(C)cc2CO)cc1OCC ZINC000657207813 1024130286 /nfs/dbraw/zinc/13/02/86/1024130286.db2.gz YIMPRBPPQJMKHE-UHFFFAOYSA-N -1 0 344.407 3.579 20 0 EHADRM Cc1ccc(O[C@@H](C)C(=O)[O-])c(-c2cccc3c2OCCCO3)c1 ZINC000657207471 1024131268 /nfs/dbraw/zinc/13/12/68/1024131268.db2.gz MQRHNDLBXNZAKJ-ZDUSSCGKSA-N -1 0 328.364 3.675 20 0 EHADRM CCc1ccc(CS(=O)(=O)[N-][C@@H]([C@H](C)CC)C(F)(F)F)cc1 ZINC000443943414 1024142049 /nfs/dbraw/zinc/14/20/49/1024142049.db2.gz ZNFPVHCBPWIZFI-RISCZKNCSA-N -1 0 337.407 3.645 20 0 EHADRM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000520588681 1024169053 /nfs/dbraw/zinc/16/90/53/1024169053.db2.gz WRAJJQTUIFEDPQ-HKWLTPLLSA-N -1 0 347.430 3.846 20 0 EHADRM COc1ccc(Cn2nccc2Nc2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001211534684 1024204098 /nfs/dbraw/zinc/20/40/98/1024204098.db2.gz CXMKWRKOOXGRMD-UHFFFAOYSA-N -1 0 337.379 3.690 20 0 EHADRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(C(C)=O)c(C)c1 ZINC000434634058 1024213880 /nfs/dbraw/zinc/21/38/80/1024213880.db2.gz OSXSRUBJODNHAD-UHFFFAOYSA-N -1 0 347.436 3.624 20 0 EHADRM CCN(C(=O)c1cc(F)ccc1O)[C@@H](C)Cc1ccc(OC)cc1 ZINC000094125891 1024216628 /nfs/dbraw/zinc/21/66/28/1024216628.db2.gz JIJMXPQQUPIXKX-ZDUSSCGKSA-N -1 0 331.387 3.633 20 0 EHADRM CC(C)c1cccc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)c1 ZINC000520615518 1024246902 /nfs/dbraw/zinc/24/69/02/1024246902.db2.gz AZWGVVUNQSUNFZ-UHFFFAOYSA-N -1 0 341.436 3.797 20 0 EHADRM CC(C)n1cc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)cn1 ZINC000684653082 1024289550 /nfs/dbraw/zinc/28/95/50/1024289550.db2.gz JUAVFSQLORCFBM-UHFFFAOYSA-N -1 0 334.228 3.572 20 0 EHADRM COc1cc(Cl)ccc1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000191413663 1024305067 /nfs/dbraw/zinc/30/50/67/1024305067.db2.gz XVJVSTMILLRMOC-NSHDSACASA-N -1 0 347.798 3.864 20 0 EHADRM O=C(N=c1cccn[n-]1)[C@H](Sc1ccccc1F)c1ccccc1 ZINC000346042162 1024322256 /nfs/dbraw/zinc/32/22/56/1024322256.db2.gz AEOFWUQVHJSIBR-QGZVFWFLSA-N -1 0 339.395 3.510 20 0 EHADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cccc(C(C)C)c1 ZINC000320507771 1024404382 /nfs/dbraw/zinc/40/43/82/1024404382.db2.gz YELHRMHWAWFZHU-UHFFFAOYSA-N -1 0 333.409 3.617 20 0 EHADRM Fc1ccccc1COc1ccc(CN=c2[n-]nc(C(F)F)o2)cc1 ZINC000346109959 1024408963 /nfs/dbraw/zinc/40/89/63/1024408963.db2.gz VDVXYJIUEIFGCG-UHFFFAOYSA-N -1 0 349.312 3.759 20 0 EHADRM CCC[C@@H](NC(=O)c1ccc(C2CCCCC2)cc1)c1nnn[n-]1 ZINC000434790348 1024430247 /nfs/dbraw/zinc/43/02/47/1024430247.db2.gz TWNZQFYYQMVKBO-MRXNPFEDSA-N -1 0 327.432 3.519 20 0 EHADRM C[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000425235095 1024473948 /nfs/dbraw/zinc/47/39/48/1024473948.db2.gz CXYCMFDBWSVWGN-JQWIXIFHSA-N -1 0 325.792 3.568 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1cccc(Br)c1 ZINC000607610757 1033214303 /nfs/dbraw/zinc/21/43/03/1033214303.db2.gz XGOUTSRXHNDFRC-UHFFFAOYSA-N -1 0 332.244 3.620 20 0 EHADRM Cc1c(C(=O)[O-])cnn1-c1cccc(NC(=O)[C@H]2CCCC[C@H]2C)c1 ZINC000425247651 1024505443 /nfs/dbraw/zinc/50/54/43/1024505443.db2.gz YMENWKBNMDOHKE-WBMJQRKESA-N -1 0 341.411 3.644 20 0 EHADRM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(F)c(C)c2)n[nH]1 ZINC000434960641 1024519939 /nfs/dbraw/zinc/51/99/39/1024519939.db2.gz VUPWXCZHLSYJCI-UHFFFAOYSA-N -1 0 345.399 3.633 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2n[nH]c3c2cccc3Cl)s1 ZINC000434972964 1024533584 /nfs/dbraw/zinc/53/35/84/1024533584.db2.gz KHFSSJBCARZTDO-UHFFFAOYSA-N -1 0 341.845 3.641 20 0 EHADRM COc1ccc(CCC(=O)Nc2cccc(C(=O)[O-])c2)cc1Cl ZINC000320635225 1024533716 /nfs/dbraw/zinc/53/37/16/1024533716.db2.gz HAGUXFDLWKPGPY-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cccc(F)c2C)n[nH]1 ZINC000434978737 1024537099 /nfs/dbraw/zinc/53/70/99/1024537099.db2.gz XHVVUDYMIUYNBV-UHFFFAOYSA-N -1 0 345.399 3.633 20 0 EHADRM COCc1cccc(NC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)c1 ZINC000237230549 1024558265 /nfs/dbraw/zinc/55/82/65/1024558265.db2.gz UIWUMXAUTGKRRE-LJQANCHMSA-N -1 0 333.428 3.833 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)C2C[C@H]3CC[C@@H](C2)S3)cc1)C(=O)[O-] ZINC000909523342 1024622251 /nfs/dbraw/zinc/62/22/51/1024622251.db2.gz NBMOSSFSGWBWCH-BPZRQAJTSA-N -1 0 333.453 3.563 20 0 EHADRM O=C([O-])C12CCC(C(=O)Nc3cccc(-c4ncco4)c3)(CC1)CC2 ZINC000909546078 1024627209 /nfs/dbraw/zinc/62/72/09/1024627209.db2.gz SUVSNORUYODQGS-UHFFFAOYSA-N -1 0 340.379 3.705 20 0 EHADRM Cc1cccc(C)c1NCC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000909524655 1024647362 /nfs/dbraw/zinc/64/73/62/1024647362.db2.gz SZACOLHTEQJVIZ-OAHLLOKOSA-N -1 0 340.423 3.617 20 0 EHADRM CCOc1ccc(OCC)c(NC(=O)c2s[n-]c(=O)c2Cl)c1 ZINC000282970196 1024686568 /nfs/dbraw/zinc/68/65/68/1024686568.db2.gz MJZYGAGXRZUNKB-UHFFFAOYSA-N -1 0 342.804 3.552 20 0 EHADRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1c(C)cccc1C ZINC000548611438 1024691444 /nfs/dbraw/zinc/69/14/44/1024691444.db2.gz HXIOTIMSILFJJU-UHFFFAOYSA-N -1 0 326.421 3.961 20 0 EHADRM COc1ccccc1-c1cc(NC(=O)c2c([O-])cccc2Cl)n[nH]1 ZINC000729528415 1024693054 /nfs/dbraw/zinc/69/30/54/1024693054.db2.gz ANSGJRAHQNTNIG-UHFFFAOYSA-N -1 0 343.770 3.697 20 0 EHADRM O=C([O-])CN(C(=O)Nc1ccc(-c2cccc(F)c2)c(F)c1)C1CC1 ZINC000514724027 1024697442 /nfs/dbraw/zinc/69/74/42/1024697442.db2.gz RLTPHKSOLFXYAT-UHFFFAOYSA-N -1 0 346.333 3.713 20 0 EHADRM COCc1cc(NC(=O)c2cc3ccccc3s2)cc(C(=O)[O-])c1 ZINC000427689421 1024735510 /nfs/dbraw/zinc/73/55/10/1024735510.db2.gz OVTYGPCOVLBROO-UHFFFAOYSA-N -1 0 341.388 3.998 20 0 EHADRM Cc1c(COc2ccccc2)cccc1[N-]S(=O)(=O)c1ccoc1 ZINC000507911232 1024762782 /nfs/dbraw/zinc/76/27/82/1024762782.db2.gz ZJOJTLHLCSXVKT-UHFFFAOYSA-N -1 0 343.404 3.968 20 0 EHADRM CO[C@@H](C)c1nc(=NC(=O)N[C@H](C)CCC2CCCCC2)s[n-]1 ZINC000514818925 1024776792 /nfs/dbraw/zinc/77/67/92/1024776792.db2.gz QNGJIAWQCSYNNL-NEPJUHHUSA-N -1 0 340.493 3.538 20 0 EHADRM CCc1ccc(CC)c(NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000507924021 1024778457 /nfs/dbraw/zinc/77/84/57/1024778457.db2.gz ZVCMQHMTMRUNPL-UHFFFAOYSA-N -1 0 347.436 3.619 20 0 EHADRM O=C([O-])C1CCC(CC(=O)NCCCSc2ccccc2)CC1 ZINC000563201960 1024789670 /nfs/dbraw/zinc/78/96/70/1024789670.db2.gz ZWQRRPKBVZYJOH-UHFFFAOYSA-N -1 0 335.469 3.566 20 0 EHADRM Cc1cnc(C(=O)N2CCc3cc(-c4ccccc4)ccc32)c([O-])c1 ZINC000427784837 1024793391 /nfs/dbraw/zinc/79/33/91/1024793391.db2.gz ZYJPGUAYUREUIQ-UHFFFAOYSA-N -1 0 330.387 3.966 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)c1nnc(-c2ccc(C)cc2)[n-]1 ZINC000514910107 1024883228 /nfs/dbraw/zinc/88/32/28/1024883228.db2.gz VBIQFFXSTBYMRE-MRXNPFEDSA-N -1 0 341.436 3.705 20 0 EHADRM C[C@@H](NC(=O)N([C@H](C)C(=O)[O-])C1CCC1)c1cc2ccccc2o1 ZINC000684714093 1024895739 /nfs/dbraw/zinc/89/57/39/1024895739.db2.gz JIQPWNXIEVPMHO-VXGBXAGGSA-N -1 0 330.384 3.531 20 0 EHADRM O=S(=O)([N-]C1(C(F)F)CCCCC1)c1cc(F)ccc1Cl ZINC000508109835 1024905571 /nfs/dbraw/zinc/90/55/71/1024905571.db2.gz MLFZKTIZGBCTGE-UHFFFAOYSA-N -1 0 341.782 3.725 20 0 EHADRM O=C([N-][C@H]1CCSc2ccc(Cl)cc21)C(F)(F)C(F)F ZINC000226600314 1033245511 /nfs/dbraw/zinc/24/55/11/1033245511.db2.gz UASMNQREZPFOBO-QMMMGPOBSA-N -1 0 327.730 3.894 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CCCC[C@H]1c1ncc[nH]1 ZINC000514948131 1024924771 /nfs/dbraw/zinc/92/47/71/1024924771.db2.gz VEACPTSUMINXOD-LBPRGKRZSA-N -1 0 339.317 3.502 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)c1c[nH]cc1-c1ccc(F)cc1 ZINC000909465158 1024932323 /nfs/dbraw/zinc/93/23/23/1024932323.db2.gz BTUXOOZOYNIUEN-UHFFFAOYSA-N -1 0 346.402 3.976 20 0 EHADRM Cc1cccc([C@@H]([N-]S(=O)(=O)c2ccsc2)C(F)(F)F)c1 ZINC000508177717 1024946685 /nfs/dbraw/zinc/94/66/85/1024946685.db2.gz DROKTFUKESMPPI-GFCCVEGCSA-N -1 0 335.372 3.638 20 0 EHADRM C[C@H]1CCC[C@@H](NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)C1 ZINC000684720417 1024973098 /nfs/dbraw/zinc/97/30/98/1024973098.db2.gz YRRRVYBCPQFSLS-ORQFMDKSSA-N -1 0 330.428 3.565 20 0 EHADRM C[C@H](C(=O)NCCCCCCCC(=O)[O-])c1cn(C)c2ccccc12 ZINC000909468997 1025023868 /nfs/dbraw/zinc/02/38/68/1025023868.db2.gz ZHQKPAMEOFHPLS-HNNXBMFYSA-N -1 0 344.455 3.823 20 0 EHADRM CCc1ccc(C(=O)N=c2[n-]nc(Cc3ccc(C)cc3)s2)cc1 ZINC000520799418 1025041187 /nfs/dbraw/zinc/04/11/87/1025041187.db2.gz MXVZMEXEDQWOMK-UHFFFAOYSA-N -1 0 337.448 3.674 20 0 EHADRM COCCC1(CNc2ncnc3sc(C(=O)[O-])c(C)c32)CCCC1 ZINC000520818485 1025073398 /nfs/dbraw/zinc/07/33/98/1025073398.db2.gz PBKFVSOQEKISEB-UHFFFAOYSA-N -1 0 349.456 3.707 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000262048498 1025090272 /nfs/dbraw/zinc/09/02/72/1025090272.db2.gz AAJQHXCEMZBODN-ZDUSSCGKSA-N -1 0 345.826 3.670 20 0 EHADRM C[C@@H](N=c1[n-]nc(-c2ccccc2)s1)c1nc2c(s1)CCC2 ZINC000582049357 1025090772 /nfs/dbraw/zinc/09/07/72/1025090772.db2.gz ODKYTPQXXMIUNL-SNVBAGLBSA-N -1 0 328.466 3.745 20 0 EHADRM C[C@@H](NC(=O)c1cccc(C2CC2)c1)c1ccc(OCC(=O)[O-])cc1 ZINC000582073060 1025168930 /nfs/dbraw/zinc/16/89/30/1025168930.db2.gz QSPJCRUBDOYOEE-CYBMUJFWSA-N -1 0 339.391 3.518 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cn1)c1cc(Cl)cc(Cl)c1 ZINC000107247414 1025213784 /nfs/dbraw/zinc/21/37/84/1025213784.db2.gz VXXWBVXCIWINPI-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM O=C([O-])CN(C(=O)Nc1cccc(CCC(F)(F)F)c1)C1CCC1 ZINC000521175164 1025249423 /nfs/dbraw/zinc/24/94/23/1025249423.db2.gz YUIWDNOTEFAORU-UHFFFAOYSA-N -1 0 344.333 3.653 20 0 EHADRM C/C=C/C[C@H](NC(=O)Nc1ccc2ccn(CCC)c2c1)C(=O)[O-] ZINC000684748855 1025257998 /nfs/dbraw/zinc/25/79/98/1025257998.db2.gz QTOGMBQOLZDZCW-UJAVWCLSSA-N -1 0 329.400 3.592 20 0 EHADRM O=C(N=c1[n-]nc(Cc2ccccc2F)s1)NC1CCCCCC1 ZINC000521261417 1025296773 /nfs/dbraw/zinc/29/67/73/1025296773.db2.gz QSSJPQHFVVEHCL-UHFFFAOYSA-N -1 0 348.447 3.534 20 0 EHADRM O=C([O-])CCCC(=O)c1ccc(-c2ccc(C3(CO)CC3)cc2)cc1 ZINC000574531752 1033274328 /nfs/dbraw/zinc/27/43/28/1033274328.db2.gz HDDGRCKKMMBYFH-UHFFFAOYSA-N -1 0 338.403 3.815 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)CCCc2ccccc2Cl)C1 ZINC000909484650 1025381289 /nfs/dbraw/zinc/38/12/89/1025381289.db2.gz ROBFSLKKNQQVGK-CQSZACIVSA-N -1 0 337.847 3.766 20 0 EHADRM CO[C@H](C)c1nc(=NC(=O)[C@@H](C)c2ccc3ccccc3c2)s[n-]1 ZINC000511080367 1025383285 /nfs/dbraw/zinc/38/32/85/1025383285.db2.gz OJXMCOWIGWDPEF-NWDGAFQWSA-N -1 0 341.436 3.563 20 0 EHADRM CO[C@H]1CCOc2c(NC(=O)CC3(C(=O)[O-])CCCCC3)cccc21 ZINC000515591812 1025404340 /nfs/dbraw/zinc/40/43/40/1025404340.db2.gz BKXMJUIAEZQKTJ-HNNXBMFYSA-N -1 0 347.411 3.520 20 0 EHADRM CSc1c(F)cccc1C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000436139144 1025411418 /nfs/dbraw/zinc/41/14/18/1025411418.db2.gz ZKIXSIHEJINALU-UHFFFAOYSA-N -1 0 345.424 3.740 20 0 EHADRM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000436180552 1025449775 /nfs/dbraw/zinc/44/97/75/1025449775.db2.gz QEPXAMJWDDFKEU-UHFFFAOYSA-N -1 0 340.326 3.694 20 0 EHADRM Cc1cc2cc[nH]c2cc1NS(=O)(=O)c1ccc2ncsc2c1 ZINC000436183316 1025453792 /nfs/dbraw/zinc/45/37/92/1025453792.db2.gz VXDPUMZIGMBLCL-UHFFFAOYSA-N -1 0 343.433 3.887 20 0 EHADRM Cc1ccc(CCCC(=O)N=c2nc(-c3ccccc3)[n-]s2)cc1 ZINC000515679693 1025483543 /nfs/dbraw/zinc/48/35/43/1025483543.db2.gz OWNVLHBFDJKLHT-UHFFFAOYSA-N -1 0 337.448 3.897 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc1C ZINC000442844415 1025519366 /nfs/dbraw/zinc/51/93/66/1025519366.db2.gz RTUGKOBYZRFNNI-UHFFFAOYSA-N -1 0 344.358 3.772 20 0 EHADRM O=S(=O)([N-]c1ccc2ccoc2c1)c1ccccc1OC(F)F ZINC000442839462 1025529486 /nfs/dbraw/zinc/52/94/86/1025529486.db2.gz SPOOKXAFMMOCMT-UHFFFAOYSA-N -1 0 339.319 3.835 20 0 EHADRM Cc1nc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)sc1C ZINC000342450184 1025564454 /nfs/dbraw/zinc/56/44/54/1025564454.db2.gz PONHFSZNKVAJLT-UHFFFAOYSA-N -1 0 337.253 3.868 20 0 EHADRM Cc1ncc(S(=O)(=O)N[C@@H]2CCC[C@@H](C(C)(C)C)CC2)s1 ZINC001211541220 1025602282 /nfs/dbraw/zinc/60/22/82/1025602282.db2.gz PQJIJDZVLSNDHD-CHWSQXEVSA-N -1 0 330.519 3.725 20 0 EHADRM CCCOc1ccccc1NC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000121633776 1025621697 /nfs/dbraw/zinc/62/16/97/1025621697.db2.gz OABUAYXIBVVMHM-UHFFFAOYSA-N -1 0 337.379 3.619 20 0 EHADRM O=C([O-])CN(C(=O)Nc1cccc(CC(F)(F)F)c1)C1CCCC1 ZINC000582219415 1025622996 /nfs/dbraw/zinc/62/29/96/1025622996.db2.gz XOBBMFAVQZTGBR-UHFFFAOYSA-N -1 0 344.333 3.653 20 0 EHADRM CCCSc1nc(=NC(=O)N[C@H]2C[C@H](c3ccccc3)C2)s[n-]1 ZINC000436374940 1025642615 /nfs/dbraw/zinc/64/26/15/1025642615.db2.gz YEQIFLATACNTCK-JOCQHMNTSA-N -1 0 348.497 3.530 20 0 EHADRM O=C([O-])C1(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CCCC1 ZINC000582244048 1025660907 /nfs/dbraw/zinc/66/09/07/1025660907.db2.gz ISYRAQZGWVOORP-GFCCVEGCSA-N -1 0 339.844 3.638 20 0 EHADRM Cc1ccnc2ccc(C(=O)N3CCC[C@H](C(C)(C)C(=O)[O-])C3)cc12 ZINC000909495009 1025670036 /nfs/dbraw/zinc/67/00/36/1025670036.db2.gz LFYIALDJPQZYOX-HNNXBMFYSA-N -1 0 340.423 3.506 20 0 EHADRM CCCC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000347265408 1025764891 /nfs/dbraw/zinc/76/48/91/1025764891.db2.gz JVJGHCIGKVYMDW-SCRDCRAPSA-N -1 0 343.345 3.569 20 0 EHADRM CCCC[C@@H](NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000347270459 1025776031 /nfs/dbraw/zinc/77/60/31/1025776031.db2.gz UFUCFILWXJRHCW-BXUZGUMPSA-N -1 0 345.361 3.959 20 0 EHADRM CCCC[C@@H](NC(=O)c1ccc(OC2CCCCC2)cc1)C(=O)[O-] ZINC000347264838 1025783891 /nfs/dbraw/zinc/78/38/91/1025783891.db2.gz SVKNLZCFYMXDCV-QGZVFWFLSA-N -1 0 333.428 3.771 20 0 EHADRM COc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])cc(C)n1 ZINC000436486872 1025789417 /nfs/dbraw/zinc/78/94/17/1025789417.db2.gz ODSUCTJAFYSIBI-UHFFFAOYSA-N -1 0 327.167 3.663 20 0 EHADRM Cc1noc(C)c1C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000342482305 1025791013 /nfs/dbraw/zinc/79/10/13/1025791013.db2.gz YLJKZZGOSMNMHD-UHFFFAOYSA-N -1 0 345.580 3.665 20 0 EHADRM C[C@@H]1C[C@H]1[C@H](NC(=O)C(=O)c1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000436518482 1025849546 /nfs/dbraw/zinc/84/95/46/1025849546.db2.gz YNDWJHNPDISZJR-SSKCKEOISA-N -1 0 343.810 3.742 20 0 EHADRM CC[C@@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C[C@H](C)O1 ZINC000436547727 1025851422 /nfs/dbraw/zinc/85/14/22/1025851422.db2.gz PONDAJPQGFODCE-NWDGAFQWSA-N -1 0 333.815 3.838 20 0 EHADRM O=C(c1ccc(F)cc1[O-])N1CCC(=Cc2cccc(F)c2)CC1 ZINC000436550740 1025855793 /nfs/dbraw/zinc/85/57/93/1025855793.db2.gz TVMLVFIGBYNKAS-UHFFFAOYSA-N -1 0 329.346 3.990 20 0 EHADRM CC(C)Cn1nccc1NC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000436565910 1025894241 /nfs/dbraw/zinc/89/42/41/1025894241.db2.gz KRFNBYPVFYMUCC-UHFFFAOYSA-N -1 0 328.199 3.804 20 0 EHADRM Cc1cc(F)cc(Cl)c1Nc1nc[n-]c(=O)c1Br ZINC001216402975 1025894830 /nfs/dbraw/zinc/89/48/30/1025894830.db2.gz YWRIDBRESGOYLV-UHFFFAOYSA-N -1 0 332.560 3.789 20 0 EHADRM O=C(Nc1ccc(OCc2ccncc2)cc1)c1ccc(F)cc1[O-] ZINC000436568854 1025896063 /nfs/dbraw/zinc/89/60/63/1025896063.db2.gz WSIGLVLOCXPZIA-UHFFFAOYSA-N -1 0 338.338 3.758 20 0 EHADRM CCc1c(NC(=O)c2cc(F)ccc2O)cnn1-c1ccccc1C ZINC000436594148 1025911333 /nfs/dbraw/zinc/91/13/33/1025911333.db2.gz HWGBNYLICZZVFM-UHFFFAOYSA-N -1 0 339.370 3.840 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CC[C@@H](COc2ccccc2)C1 ZINC000436595295 1025913984 /nfs/dbraw/zinc/91/39/84/1025913984.db2.gz LCVPRBLFDZFYRH-CYBMUJFWSA-N -1 0 331.799 3.587 20 0 EHADRM O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)c1cc(F)c([O-])c(Cl)c1 ZINC000436629557 1025956580 /nfs/dbraw/zinc/95/65/80/1025956580.db2.gz VURSOLABBQBYQV-AMIZOPFISA-N -1 0 341.716 3.749 20 0 EHADRM O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1cc(F)c([O-])c(Cl)c1 ZINC000436634137 1025965472 /nfs/dbraw/zinc/96/54/72/1025965472.db2.gz NVXDQHGPDGXYEI-MJHDQNEOSA-N -1 0 337.753 4.000 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CNc2c(C)cccc2C)c1 ZINC000436649340 1025974353 /nfs/dbraw/zinc/97/43/53/1025974353.db2.gz PBFOIDZLMOKJNZ-UHFFFAOYSA-N -1 0 326.396 3.652 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CSCc2ccc(F)cc2)c1 ZINC000611591549 1025975941 /nfs/dbraw/zinc/97/59/41/1025975941.db2.gz GMOIHNISXNUDKN-UHFFFAOYSA-N -1 0 333.384 3.606 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CSc3ccccc32)c1 ZINC000436644562 1025992653 /nfs/dbraw/zinc/99/26/53/1025992653.db2.gz AKGRORAIIXSLRL-CYBMUJFWSA-N -1 0 327.405 3.813 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2sc([C@@H](C)OC)nc2C)c1 ZINC000436645404 1025993360 /nfs/dbraw/zinc/99/33/60/1025993360.db2.gz AQBFFGNVIIFHOP-SNVBAGLBSA-N -1 0 348.424 3.710 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(C)n([C@H](C)CC)n2)c1 ZINC000436647877 1025995618 /nfs/dbraw/zinc/99/56/18/1025995618.db2.gz RPFUDGPBKGUZAQ-LLVKDONJSA-N -1 0 329.400 3.713 20 0 EHADRM Cc1ccc(F)cc1[N-]S(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000443397219 1025996414 /nfs/dbraw/zinc/99/64/14/1025996414.db2.gz CXXOSZXGDRKASV-UHFFFAOYSA-N -1 0 335.400 3.648 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)Cn2c(C)cc3ccccc32)c1 ZINC000436648815 1026000917 /nfs/dbraw/zinc/00/09/17/1026000917.db2.gz VALPZMZFFRAGBQ-UHFFFAOYSA-N -1 0 336.391 3.887 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cc3c(cc(F)cc3C)[nH]2)c1 ZINC000436679963 1026032198 /nfs/dbraw/zinc/03/21/98/1026032198.db2.gz MDQBFFONVWVYDQ-UHFFFAOYSA-N -1 0 326.327 3.776 20 0 EHADRM CC[C@@H](C)n1[nH]c(=NC(=O)c2c([O-])cc(Cl)cc2Cl)cc1C ZINC000436687495 1026042778 /nfs/dbraw/zinc/04/27/78/1026042778.db2.gz IRMQVGOKCRGXPH-MRVPVSSYSA-N -1 0 342.226 3.849 20 0 EHADRM CO[C@@H](C)c1nc(=NC(=O)[C@H](CCc2ccccc2)C(C)C)s[n-]1 ZINC000451501374 1026047198 /nfs/dbraw/zinc/04/71/98/1026047198.db2.gz PICWKDSIBMSNHG-DZGCQCFKSA-N -1 0 347.484 3.511 20 0 EHADRM Cc1nc(CSc2n[n-]c(=NCc3ccccc3)s2)c(C)s1 ZINC000443449331 1026047355 /nfs/dbraw/zinc/04/73/55/1026047355.db2.gz ZVANZHKKGNYDGP-UHFFFAOYSA-N -1 0 348.522 3.938 20 0 EHADRM COCCOc1ccc(NC(=O)c2cc(C)ccc2O)cc1Cl ZINC000436693344 1026053799 /nfs/dbraw/zinc/05/37/99/1026053799.db2.gz SYFKEHXMLKAXDB-UHFFFAOYSA-N -1 0 335.787 3.632 20 0 EHADRM Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1cc(Cl)ccc1[O-] ZINC000436705437 1026068941 /nfs/dbraw/zinc/06/89/41/1026068941.db2.gz NKLRGBSSJYPXRZ-UHFFFAOYSA-N -1 0 327.771 3.996 20 0 EHADRM C[C@@H]1C[C@H](CNC(=O)c2cc(Cl)c3ccccc3c2[O-])CCO1 ZINC000436713105 1026081547 /nfs/dbraw/zinc/08/15/47/1026081547.db2.gz AUZAIIYBZPFYTB-VXGBXAGGSA-N -1 0 333.815 3.744 20 0 EHADRM CC(=O)N(c1ccc(NC(=O)c2ccc(Cl)cc2[O-])cc1)C1CC1 ZINC000436737010 1026102733 /nfs/dbraw/zinc/10/27/33/1026102733.db2.gz KCBPVROBYXPFFA-UHFFFAOYSA-N -1 0 344.798 3.813 20 0 EHADRM COc1cc([C@@H](C)NC(=O)c2ccc(Cl)c(Cl)c2[O-])ccn1 ZINC000436740335 1026109409 /nfs/dbraw/zinc/10/94/09/1026109409.db2.gz QKTKYSPNRGXZHR-MRVPVSSYSA-N -1 0 341.194 3.594 20 0 EHADRM C[C@@H]1C[C@@H](CCNC(=O)c2cc(F)cc(Cl)c2[O-])C[C@H](C)O1 ZINC000436741130 1026109798 /nfs/dbraw/zinc/10/97/98/1026109798.db2.gz SIUGDRXRPSVNHB-JGPRNRPPSA-N -1 0 329.799 3.508 20 0 EHADRM Cc1oc(C[NH+]2CCC(OCCc3ccccc3)CC2)cc1C(=O)[O-] ZINC000516188150 1026120082 /nfs/dbraw/zinc/12/00/82/1026120082.db2.gz VNBBJYDGZCQBHR-UHFFFAOYSA-N -1 0 343.423 3.510 20 0 EHADRM CCN(Cc1cccc(F)c1)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436748878 1026137559 /nfs/dbraw/zinc/13/75/59/1026137559.db2.gz VUZKQAHORQUGEP-UHFFFAOYSA-N -1 0 325.742 3.986 20 0 EHADRM COc1cccc(C(=O)Nc2nc(-c3ccc(C)s3)ns2)c1O ZINC000436751987 1026139622 /nfs/dbraw/zinc/13/96/22/1026139622.db2.gz WBSIFHQPTJFBDE-UHFFFAOYSA-N -1 0 347.421 3.542 20 0 EHADRM CCC(CC)(NC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000342531978 1026141300 /nfs/dbraw/zinc/14/13/00/1026141300.db2.gz UPUZUDBEQKXRBN-VXGBXAGGSA-N -1 0 343.345 3.569 20 0 EHADRM CC(C)[C@H]1CCCN(C(=O)N=c2nc(-c3ccsc3)[n-]s2)C1 ZINC000582428093 1026230112 /nfs/dbraw/zinc/23/01/12/1026230112.db2.gz QGNUJBTZYNDMGH-NSHDSACASA-N -1 0 336.486 3.588 20 0 EHADRM COc1ccc(C[C@@H](C)C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC000262431126 1026236182 /nfs/dbraw/zinc/23/61/82/1026236182.db2.gz BPQLXPCFEHTEDG-CQSZACIVSA-N -1 0 341.407 3.828 20 0 EHADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC000614731817 1026252738 /nfs/dbraw/zinc/25/27/38/1026252738.db2.gz FATJRVPCPCILSX-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CC[C@@H](Oc1[n-]c(=S)nnc1C)c1ccc(Br)cc1 ZINC001227598922 1026329388 /nfs/dbraw/zinc/32/93/88/1026329388.db2.gz NUVRXKXGVBXMDS-LLVKDONJSA-N -1 0 340.246 3.761 20 0 EHADRM C[C@@H](C(=O)Nc1cc(Cl)cc(Br)c1[O-])C(F)(F)F ZINC000530895438 1026381964 /nfs/dbraw/zinc/38/19/64/1026381964.db2.gz ZORSJELLBQLHCX-BYPYZUCNSA-N -1 0 346.530 3.945 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccccc2COc2ccccc2)CCC1 ZINC000262465505 1026400150 /nfs/dbraw/zinc/40/01/50/1026400150.db2.gz GGSDIBVBLZCBEW-UHFFFAOYSA-N -1 0 339.391 3.849 20 0 EHADRM O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)c1c([O-])cc(F)cc1F ZINC000127761189 1026428702 /nfs/dbraw/zinc/42/87/02/1026428702.db2.gz KWTRKSOJUPLAQF-UGSOOPFHSA-N -1 0 347.361 3.568 20 0 EHADRM CCC(C)(C)N(C)C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000684894544 1026434067 /nfs/dbraw/zinc/43/40/67/1026434067.db2.gz GCPPEJPZCIFDCU-ZDUSSCGKSA-N -1 0 326.824 3.686 20 0 EHADRM O=C(CC1CC(c2ccccc2)C1)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000684900011 1026487497 /nfs/dbraw/zinc/48/74/97/1026487497.db2.gz YQKIAAXFGKIEPP-UHFFFAOYSA-N -1 0 349.390 3.552 20 0 EHADRM O=c1nc(CSc2ccc(C(F)(F)F)cn2)[n-]c2ccsc21 ZINC000024851161 1026506237 /nfs/dbraw/zinc/50/62/37/1026506237.db2.gz OTRSNMRNUOCHGB-UHFFFAOYSA-N -1 0 343.355 3.691 20 0 EHADRM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000142075758 1026510141 /nfs/dbraw/zinc/51/01/41/1026510141.db2.gz UBTWXULMCWTHBD-UHFFFAOYSA-N -1 0 349.305 3.834 20 0 EHADRM C[C@H](C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F)c1ccccc1 ZINC000192868610 1026521537 /nfs/dbraw/zinc/52/15/37/1026521537.db2.gz HLIQIQRQGOHWQX-ZDUSSCGKSA-N -1 0 347.361 3.572 20 0 EHADRM Cc1cc(C)c(NS(=O)(=O)C[C@H](C)c2ccccc2)c(C(=O)[O-])c1 ZINC000325177396 1026582339 /nfs/dbraw/zinc/58/23/39/1026582339.db2.gz ALBKCOYURKSQEE-AWEZNQCLSA-N -1 0 347.436 3.547 20 0 EHADRM O=C([O-])CN(C(=O)c1cccc(Oc2ccc(Cl)cc2)c1)C1CC1 ZINC000431460127 1026697540 /nfs/dbraw/zinc/69/75/40/1026697540.db2.gz WJOFFPICUCLRML-UHFFFAOYSA-N -1 0 345.782 3.822 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCC[C@H](C)[C@@H]3C)n2)c1 ZINC000531231254 1026727484 /nfs/dbraw/zinc/72/74/84/1026727484.db2.gz LJKQYCIRIWGNNS-GJZGRUSLSA-N -1 0 341.455 3.962 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)C[C@H](C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000431467483 1026864705 /nfs/dbraw/zinc/86/47/05/1026864705.db2.gz ZYSCFWUTUSMRTP-BFQNTYOBSA-N -1 0 325.836 3.524 20 0 EHADRM COCCOc1cccc(-c2ccccc2OCCCC(=O)[O-])c1 ZINC000563435692 1026945085 /nfs/dbraw/zinc/94/50/85/1026945085.db2.gz AOGCOUNSXXWUEQ-UHFFFAOYSA-N -1 0 330.380 3.622 20 0 EHADRM Cc1cc(-c2ccc(F)cc2)ccc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000563436981 1026945579 /nfs/dbraw/zinc/94/55/79/1026945579.db2.gz CBOIJMBNMPHLJN-MRXNPFEDSA-N -1 0 341.382 3.738 20 0 EHADRM O=C(c1ccc(F)cc1[O-])N1CCC(c2nc3ccccc3o2)CC1 ZINC000123192040 1027010122 /nfs/dbraw/zinc/01/01/22/1027010122.db2.gz YDIKASSLOJRTEU-UHFFFAOYSA-N -1 0 340.354 3.692 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1C ZINC000342777636 1027016445 /nfs/dbraw/zinc/01/64/45/1027016445.db2.gz JEHAXSTVPSPEIX-JTQLQIEISA-N -1 0 327.837 3.617 20 0 EHADRM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)n([C@@H](C)CC)n2)c1 ZINC000342781315 1027023349 /nfs/dbraw/zinc/02/33/49/1027023349.db2.gz OERWNALSRAMDMA-LBPRGKRZSA-N -1 0 349.456 3.556 20 0 EHADRM CC[C@]1(C)CCN(C(=O)c2nn(-c3cccc(C(C)C)c3)cc2[O-])C1 ZINC000531576590 1027064338 /nfs/dbraw/zinc/06/43/38/1027064338.db2.gz HAMNHTOEPZZAJD-HXUWFJFHSA-N -1 0 341.455 3.964 20 0 EHADRM CCOc1cc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)ccc1C ZINC000414446489 1027416569 /nfs/dbraw/zinc/41/65/69/1027416569.db2.gz JIHYNIZAROLFIA-ZDUSSCGKSA-N -1 0 327.380 3.834 20 0 EHADRM CC(C)CN1Cc2cccc([N-]S(=O)(=O)c3ccccc3F)c2C1 ZINC000128656351 1027464181 /nfs/dbraw/zinc/46/41/81/1027464181.db2.gz KBHQVQBXBKMVPC-UHFFFAOYSA-N -1 0 348.443 3.598 20 0 EHADRM C[C@H](CC(=O)[N-]S(=O)(=O)c1ccccc1Cl)C1CCCCC1 ZINC000303128904 1027472304 /nfs/dbraw/zinc/47/23/04/1027472304.db2.gz JYMXVHBSYUXIJN-GFCCVEGCSA-N -1 0 343.876 3.751 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)CC/C=C\c2ccccc2)cc1C ZINC000255540952 1027495546 /nfs/dbraw/zinc/49/55/46/1027495546.db2.gz BPQNKQSZCRQWPP-POHAHGRESA-N -1 0 343.448 3.602 20 0 EHADRM CCc1ccc(C(C)(C)C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000685019850 1027558089 /nfs/dbraw/zinc/55/80/89/1027558089.db2.gz ZLXMMKDEYBFBHF-QGZVFWFLSA-N -1 0 345.483 3.876 20 0 EHADRM COc1cccc(Oc2ccc(NC(=O)C3CC(C(=O)[O-])C3)cc2)c1 ZINC000685020854 1027578990 /nfs/dbraw/zinc/57/89/90/1027578990.db2.gz GQFFVGRPPISRKF-UHFFFAOYSA-N -1 0 341.363 3.537 20 0 EHADRM CC(C)OCCCc1noc(-c2ccc(Br)cc2[O-])n1 ZINC000273786572 1027623791 /nfs/dbraw/zinc/62/37/91/1027623791.db2.gz FBCIEBFFHNFNIM-UHFFFAOYSA-N -1 0 341.205 3.562 20 0 EHADRM COc1ccc(-c2n[n-]c(=N[C@H](C)c3nc(C)cs3)s2)cc1 ZINC000420591075 1027634627 /nfs/dbraw/zinc/63/46/27/1027634627.db2.gz XWCVWMVSYUARKG-SNVBAGLBSA-N -1 0 332.454 3.574 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)N(C)CCCC(=O)[O-])CCC2 ZINC000414643589 1027655632 /nfs/dbraw/zinc/65/56/32/1027655632.db2.gz NNJQMLHDILOZDX-KRWDZBQOSA-N -1 0 332.444 3.694 20 0 EHADRM Cc1ccc2c(Cl)c(C(=O)N[C@@H]3CC[C@H](C(=O)[O-])C3)sc2c1 ZINC000647262019 1027725064 /nfs/dbraw/zinc/72/50/64/1027725064.db2.gz PAPJIXRGXXKHNN-VHSXEESVSA-N -1 0 337.828 3.846 20 0 EHADRM C[C@@H]1CCN(C(=O)Cc2ccccc2C(=O)[O-])[C@H]1c1cccc(F)c1 ZINC000262185413 1027738480 /nfs/dbraw/zinc/73/84/80/1027738480.db2.gz QLUQPTHLHLPOHY-BFUOFWGJSA-N -1 0 341.382 3.676 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(F)c(Cl)cc2Cl)C1 ZINC000262531960 1027759997 /nfs/dbraw/zinc/75/99/97/1027759997.db2.gz PROJHRGEMSOGQG-OAHLLOKOSA-N -1 0 348.201 3.705 20 0 EHADRM C[C@@H](CNC(=O)c1ccccc1SCc1cccs1)CC(=O)[O-] ZINC000262193631 1028004890 /nfs/dbraw/zinc/00/48/90/1028004890.db2.gz IEYXRLJGKUBQFS-GFCCVEGCSA-N -1 0 349.477 3.881 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)NC[C@H]2CCCC(F)(F)C2)s1 ZINC000503763671 1028118243 /nfs/dbraw/zinc/11/82/43/1028118243.db2.gz YETHDUQNCFWZBF-JTQLQIEISA-N -1 0 346.447 3.811 20 0 EHADRM CC(F)(F)c1ccccc1[N-]S(=O)(=O)c1cccc2c1OCC2 ZINC000421145980 1028131252 /nfs/dbraw/zinc/13/12/52/1028131252.db2.gz BGAZTRBSBZDQDL-UHFFFAOYSA-N -1 0 339.363 3.534 20 0 EHADRM COc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ncc(C)s1 ZINC000647265018 1028154999 /nfs/dbraw/zinc/15/49/99/1028154999.db2.gz IRNXAILXBXBMPR-UHFFFAOYSA-N -1 0 340.470 3.558 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ccccc2OC2CCCC2)cc1 ZINC000614840913 1028155672 /nfs/dbraw/zinc/15/56/72/1028155672.db2.gz DWVDJDBKGFLIFY-UHFFFAOYSA-N -1 0 347.436 3.817 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2cc(N3CCCCC3)ncn2)c1 ZINC001211960970 1028192801 /nfs/dbraw/zinc/19/28/01/1028192801.db2.gz QCWNARQIGHJXJG-UHFFFAOYSA-N -1 0 332.791 3.562 20 0 EHADRM O=S(=O)([N-]c1ccc2cccc(Cl)c2n1)c1cccc(F)c1 ZINC000502425184 1028211981 /nfs/dbraw/zinc/21/19/81/1028211981.db2.gz NEMJYNJDUOTXPK-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM Cc1cnn(CC2CCOCC2)c1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211962421 1028215137 /nfs/dbraw/zinc/21/51/37/1028215137.db2.gz DDJOJGINSSZJAI-UHFFFAOYSA-N -1 0 349.818 3.713 20 0 EHADRM Cc1oc(-c2ccccc2)c(C(=O)N=c2cc(C(F)(F)F)[n-][nH]2)c1C ZINC000444744010 1028228357 /nfs/dbraw/zinc/22/83/57/1028228357.db2.gz NJFIGMXOMIQTLN-UHFFFAOYSA-N -1 0 349.312 3.980 20 0 EHADRM CC(C)OCCOCc1cccc(NC(=O)c2c([O-])cccc2F)c1 ZINC000121233354 1028293761 /nfs/dbraw/zinc/29/37/61/1028293761.db2.gz NKLWGFOYFKLWQV-UHFFFAOYSA-N -1 0 347.386 3.725 20 0 EHADRM COCc1nc(=NCc2ccc(-c3cccc(C)c3)cc2)s[n-]1 ZINC000582127822 1028329206 /nfs/dbraw/zinc/32/92/06/1028329206.db2.gz KQCZPRDHWOUQKH-UHFFFAOYSA-N -1 0 325.437 3.694 20 0 EHADRM CCc1n[n-]c(=NC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)s1 ZINC000444837787 1028338779 /nfs/dbraw/zinc/33/87/79/1028338779.db2.gz OJNJRYAGHSCUGI-SSDOTTSWSA-N -1 0 345.255 3.712 20 0 EHADRM CNC(=O)c1ccc(Nc2cc(Cl)cc(C(=O)[O-])c2)cc1Cl ZINC001211967245 1028338951 /nfs/dbraw/zinc/33/89/51/1028338951.db2.gz XXOGFAHXLBCSRC-UHFFFAOYSA-N -1 0 339.178 3.795 20 0 EHADRM CC(C)COc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000614863651 1028360842 /nfs/dbraw/zinc/36/08/42/1028360842.db2.gz QHLFELMZXUVAAW-UHFFFAOYSA-N -1 0 341.379 3.800 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2CCC[C@@H]2c2ccc(F)cc2C)s1 ZINC000454286984 1028386789 /nfs/dbraw/zinc/38/67/89/1028386789.db2.gz FKTRPBKRUYVUEZ-CQSZACIVSA-N -1 0 348.447 3.729 20 0 EHADRM COC(=O)c1cccc(Nc2cc(Cl)cc(C(=O)[O-])c2)c1OC ZINC001211969376 1028427191 /nfs/dbraw/zinc/42/71/91/1028427191.db2.gz GNSHULMVXYRZLE-UHFFFAOYSA-N -1 0 335.743 3.577 20 0 EHADRM CCOc1ccccc1NC(=O)N=c1[n-]nc(-c2ccsc2)s1 ZINC000502650570 1028489955 /nfs/dbraw/zinc/48/99/55/1028489955.db2.gz WYTXQOUMOPMFIS-UHFFFAOYSA-N -1 0 346.437 3.731 20 0 EHADRM O=C(Nc1cccc(-c2nn[nH]n2)c1)c1cc2cc(Cl)ccc2o1 ZINC000072768259 1028517182 /nfs/dbraw/zinc/51/71/82/1028517182.db2.gz YRTZKZPUEYFFGT-UHFFFAOYSA-N -1 0 339.742 3.519 20 0 EHADRM CC[C@](CC(=O)[O-])(C(=O)N[C@H](C)CC(F)(F)F)c1ccc(C)cc1 ZINC000634829810 1028520600 /nfs/dbraw/zinc/52/06/00/1028520600.db2.gz HAUABIFYOIKGNQ-MLGOLLRUSA-N -1 0 345.361 3.575 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)c2ccc3ccccc3c2)sc1C(=O)[O-] ZINC000237352869 1028648402 /nfs/dbraw/zinc/64/84/02/1028648402.db2.gz KELHBNDZCQRUJC-LLVKDONJSA-N -1 0 340.404 3.794 20 0 EHADRM C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccccc1)c1cc2ccccc2o1 ZINC000237439373 1028650220 /nfs/dbraw/zinc/65/02/20/1028650220.db2.gz QWUZENXHHRLIAK-BBRMVZONSA-N -1 0 337.375 3.869 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1ccc2ncccc2c1)C(=O)[O-] ZINC000237493297 1028652959 /nfs/dbraw/zinc/65/29/59/1028652959.db2.gz INBIYPNDTGDHGG-HNNXBMFYSA-N -1 0 348.402 3.598 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000237490029 1028654562 /nfs/dbraw/zinc/65/45/62/1028654562.db2.gz ATFGLRJPYZTIEI-NSHDSACASA-N -1 0 337.828 3.765 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)Cc1ccccc1Cl ZINC000237653040 1028659187 /nfs/dbraw/zinc/65/91/87/1028659187.db2.gz YTFSELBPIDWTNL-INIZCTEOSA-N -1 0 331.799 3.523 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000238084202 1028676715 /nfs/dbraw/zinc/67/67/15/1028676715.db2.gz YKSILBNQIFHTKK-UONOGXRCSA-N -1 0 329.783 3.709 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cccc(Oc2ccccc2)c1 ZINC000237132912 1028677566 /nfs/dbraw/zinc/67/75/66/1028677566.db2.gz GKAWWZOUTXJMNQ-LJQANCHMSA-N -1 0 327.380 3.852 20 0 EHADRM CSc1ccc(CCNC(=O)c2c(C)ccc(C)c2C(=O)[O-])cc1 ZINC000634833333 1028788303 /nfs/dbraw/zinc/78/83/03/1028788303.db2.gz AXVPGRZHPHBWOG-UHFFFAOYSA-N -1 0 343.448 3.696 20 0 EHADRM CC(C)Sc1ccc(Cl)cc1NC(=O)[C@@H](C)O[C@H](C)C(=O)[O-] ZINC000421808157 1028792316 /nfs/dbraw/zinc/79/23/16/1028792316.db2.gz QTZLAVAUTWHCFY-NXEZZACHSA-N -1 0 345.848 3.657 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1C(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000634836080 1028803648 /nfs/dbraw/zinc/80/36/48/1028803648.db2.gz VXWDSWQYCYYRKS-DTWKUNHWSA-N -1 0 340.351 3.673 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)ccc1F)c1ccc(Cl)s1 ZINC000016123521 1028864129 /nfs/dbraw/zinc/86/41/29/1028864129.db2.gz UTWLMQBIIFXIHE-UHFFFAOYSA-N -1 0 326.201 3.995 20 0 EHADRM O=C([O-])c1cc(F)c(F)cc1C(=O)NCC[C@H]1CCc2ccccc21 ZINC000634839553 1028829487 /nfs/dbraw/zinc/82/94/87/1028829487.db2.gz NERILAXSJHVTOU-GFCCVEGCSA-N -1 0 345.345 3.513 20 0 EHADRM CCC(CC)(CNC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F)C(=O)[O-] ZINC000424235054 1028902721 /nfs/dbraw/zinc/90/27/21/1028902721.db2.gz BOULGCUTHVJHPI-TYUFSLCMSA-N -1 0 349.393 3.608 20 0 EHADRM Cc1ccc(C(C)(C)CNC(=O)CC2(C(=O)[O-])CCCCCC2)nc1 ZINC000634848289 1028959071 /nfs/dbraw/zinc/95/90/71/1028959071.db2.gz ANGKFZWLEIQAJG-UHFFFAOYSA-N -1 0 346.471 3.599 20 0 EHADRM CC(C)c1cc(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)c2ccccc2n1 ZINC000532874627 1028959301 /nfs/dbraw/zinc/95/93/01/1028959301.db2.gz DWWLCHYTFLRYRR-AWEZNQCLSA-N -1 0 340.423 3.685 20 0 EHADRM O=C([O-])C1(CC(=O)N2CCC[C@H]2Cc2ccccc2Cl)CCC1 ZINC000262566123 1028978294 /nfs/dbraw/zinc/97/82/94/1028978294.db2.gz XWLQVBNLZXZIMD-AWEZNQCLSA-N -1 0 335.831 3.519 20 0 EHADRM CCc1n[n-]c(=NC(=O)c2cc(-c3ccc(F)cc3)c(C)s2)s1 ZINC000445631502 1029013161 /nfs/dbraw/zinc/01/31/61/1029013161.db2.gz DQFGVOXFGJCOKF-UHFFFAOYSA-N -1 0 347.440 3.951 20 0 EHADRM CCCOc1cc(C)ccc1CNC(=O)CC(CC)(CC)C(=O)[O-] ZINC000445654001 1029025149 /nfs/dbraw/zinc/02/51/49/1029025149.db2.gz JFCNLTFWQPOAIF-UHFFFAOYSA-N -1 0 335.444 3.681 20 0 EHADRM Cc1ccc([C@@H](NC(=O)N=c2[n-]nc(CC(C)C)s2)C2CC2)cc1 ZINC000503054286 1029025669 /nfs/dbraw/zinc/02/56/69/1029025669.db2.gz RPGABVKQTCWJGV-MRXNPFEDSA-N -1 0 344.484 3.740 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccc(C(=O)C2CCC2)cc1)C(=O)[O-] ZINC000424395037 1029048388 /nfs/dbraw/zinc/04/83/88/1029048388.db2.gz YVBJAUYGMZEPRK-OAHLLOKOSA-N -1 0 346.427 3.538 20 0 EHADRM CCN(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])[C@H](C)c1ccc(F)cc1 ZINC000424406828 1029053726 /nfs/dbraw/zinc/05/37/26/1029053726.db2.gz GRCHDYLAMJFRIK-UKRRQHHQSA-N -1 0 338.423 3.665 20 0 EHADRM CC(C)C[C@@H](C)n1nccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000524297368 1029059154 /nfs/dbraw/zinc/05/91/54/1029059154.db2.gz UCWUDJQFIODGCY-LLVKDONJSA-N -1 0 343.399 3.569 20 0 EHADRM Cc1ccc(SC2(C(=O)N[C@H](C)CCC(=O)[O-])CCCC2)cc1 ZINC000237380098 1029107294 /nfs/dbraw/zinc/10/72/94/1029107294.db2.gz QOGFIWWHTBNYFJ-CQSZACIVSA-N -1 0 335.469 3.769 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000321884767 1029109819 /nfs/dbraw/zinc/10/98/19/1029109819.db2.gz KGNBIFAWKRTCOI-SMDDNHRTSA-N -1 0 347.358 3.672 20 0 EHADRM O=C([O-])[C@H]1CC[C@H]1C(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000634867174 1029143958 /nfs/dbraw/zinc/14/39/58/1029143958.db2.gz UEGUSYLMWSTMGO-IKGGRYGDSA-N -1 0 343.810 3.656 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])[C@H](C)[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000424615282 1029203229 /nfs/dbraw/zinc/20/32/29/1029203229.db2.gz DIBACMPKBWXQEV-SUMWQHHRSA-N -1 0 348.468 3.557 20 0 EHADRM C[C@H](CNC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)CC(=O)[O-] ZINC000271944766 1029240926 /nfs/dbraw/zinc/24/09/26/1029240926.db2.gz HQELOMXQNFPGPF-PPLKPFPSSA-N -1 0 349.736 3.513 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c1 ZINC000078677326 1029408282 /nfs/dbraw/zinc/40/82/82/1029408282.db2.gz LBYBHZQFSUVWSL-UHFFFAOYSA-N -1 0 337.404 3.825 20 0 EHADRM Cc1nc(C=Cc2ccc(Cl)cc2Cl)[nH]c(=O)c1CC(=O)[O-] ZINC000347377623 1029453492 /nfs/dbraw/zinc/45/34/92/1029453492.db2.gz DRAOIXHUWUCBPC-HYXAFXHYSA-N -1 0 339.178 3.595 20 0 EHADRM CCc1oc(C(=O)N2CCC[C@@H](c3ccccc3)CC2)cc1C(=O)[O-] ZINC000261628814 1029462584 /nfs/dbraw/zinc/46/25/84/1029462584.db2.gz JDBAJNDJCFUUQZ-OAHLLOKOSA-N -1 0 341.407 3.950 20 0 EHADRM CCc1oc(C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)cc1C(=O)[O-] ZINC000261636882 1029463487 /nfs/dbraw/zinc/46/34/87/1029463487.db2.gz KIIQYERCSHVJIR-GDBMZVCRSA-N -1 0 341.407 3.681 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cnc(C)nc2C2CC2)c1C ZINC000533217807 1029479643 /nfs/dbraw/zinc/47/96/43/1029479643.db2.gz GHCNVPAZVNRHKE-UHFFFAOYSA-N -1 0 345.468 3.697 20 0 EHADRM Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000272512395 1029490387 /nfs/dbraw/zinc/49/03/87/1029490387.db2.gz WDQXSKGSJGXZRT-UHFFFAOYSA-N -1 0 343.399 3.754 20 0 EHADRM CCc1oc(C(=O)N[C@H]2CCc3cc(Cl)ccc32)cc1C(=O)[O-] ZINC000261731142 1029492089 /nfs/dbraw/zinc/49/20/89/1029492089.db2.gz YGCGJVNNAZIHHG-ZDUSSCGKSA-N -1 0 333.771 3.611 20 0 EHADRM CC(C)(NC(=O)[C@@](C)(CC(=O)[O-])c1ccsc1)c1cccs1 ZINC000634898708 1029510026 /nfs/dbraw/zinc/51/00/26/1029510026.db2.gz QZPACCLQXGSFDT-INIZCTEOSA-N -1 0 337.466 3.594 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCCCC[C@H]1/C=C/c1cccs1 ZINC000261963165 1029541878 /nfs/dbraw/zinc/54/18/78/1029541878.db2.gz AUPRNQINXMYEMZ-ZZJRJCAOSA-N -1 0 333.453 3.643 20 0 EHADRM C[C@@H](CC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1cccc(F)c1 ZINC000262238683 1029575557 /nfs/dbraw/zinc/57/55/57/1029575557.db2.gz TZAGLVNTOIXTGQ-UGSOOPFHSA-N -1 0 341.382 3.530 20 0 EHADRM CCc1ccccc1CNC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1 ZINC000583293613 1029583373 /nfs/dbraw/zinc/58/33/73/1029583373.db2.gz RTGMRZMKGHZTCG-FQEVSTJZSA-N -1 0 331.456 3.927 20 0 EHADRM CC(C)Oc1cccc([C@H](C)NC(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000262400590 1029588563 /nfs/dbraw/zinc/58/85/63/1029588563.db2.gz OAZMNCKVWPDMIG-LBPRGKRZSA-N -1 0 345.370 3.802 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000533307785 1029610230 /nfs/dbraw/zinc/61/02/30/1029610230.db2.gz YNKXPJUQQAPBOP-GFCCVEGCSA-N -1 0 344.846 3.524 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)C[C@@H]1CCc2ccccc2C1 ZINC000262817956 1029640386 /nfs/dbraw/zinc/64/03/86/1029640386.db2.gz AGOJUFGCAVQSKQ-CYBMUJFWSA-N -1 0 339.391 3.527 20 0 EHADRM CC[C@](CNC(=O)c1cccc(C(F)F)c1)(C(=O)[O-])c1ccccc1 ZINC000262923582 1029650730 /nfs/dbraw/zinc/65/07/30/1029650730.db2.gz FVHUJVLZCCCSMY-LJQANCHMSA-N -1 0 347.361 3.787 20 0 EHADRM C[C@H](NC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC000262876800 1029652770 /nfs/dbraw/zinc/65/27/70/1029652770.db2.gz APNVVDGWGLDANH-YJBOKZPZSA-N -1 0 340.423 3.523 20 0 EHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)c1[nH]c2ccc(F)cc2c1Cl ZINC000262947852 1029653412 /nfs/dbraw/zinc/65/34/12/1029653412.db2.gz LBUBBPQOBIUQJO-MRXNPFEDSA-N -1 0 340.782 3.580 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc3c(c2)CCCC3)C[C@H]1c1ccccc1 ZINC000262978900 1029653763 /nfs/dbraw/zinc/65/37/63/1029653763.db2.gz UDKACXZTWUWLJR-VQTJNVASSA-N -1 0 349.430 3.506 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3CC[C@](C(=O)[O-])(C(C)C)C3)s2)o1 ZINC000263006069 1029656650 /nfs/dbraw/zinc/65/66/50/1029656650.db2.gz PHEAHTSLXCUGEU-GOSISDBHSA-N -1 0 347.436 3.889 20 0 EHADRM CCC[C@H](C(=O)Nc1ccc(C(=O)[O-])c(OC)c1)c1ccccc1 ZINC000263039447 1029659616 /nfs/dbraw/zinc/65/96/16/1029659616.db2.gz VOXZVHDKPZTXEQ-HNNXBMFYSA-N -1 0 327.380 3.916 20 0 EHADRM Cc1ncc(-c2ccccc2)cc1NC(=O)NC(C)(C)CCC(=O)[O-] ZINC000263095727 1029665972 /nfs/dbraw/zinc/66/59/72/1029665972.db2.gz TXVMUUYCSHWLQF-UHFFFAOYSA-N -1 0 341.411 3.822 20 0 EHADRM CCCCN(C)c1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000263176041 1029670985 /nfs/dbraw/zinc/67/09/85/1029670985.db2.gz QRORGPJHYNCBAX-INIZCTEOSA-N -1 0 346.471 3.640 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000263188786 1029671588 /nfs/dbraw/zinc/67/15/88/1029671588.db2.gz IGNWPRMXBYOPKD-MNOVXSKESA-N -1 0 325.792 3.567 20 0 EHADRM CSc1ccsc1C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263185907 1029671687 /nfs/dbraw/zinc/67/16/87/1029671687.db2.gz SCSKKNQUFAGXIB-CYBMUJFWSA-N -1 0 349.477 3.676 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H](c2cccc(F)c2)C2CCCC2)C1 ZINC000263292288 1029684717 /nfs/dbraw/zinc/68/47/17/1029684717.db2.gz MJKSPEAMWQQWKR-ZMSDIMECSA-N -1 0 333.403 3.674 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2(c3cccs3)CCCCC2)C1 ZINC000263314415 1029688223 /nfs/dbraw/zinc/68/82/23/1029688223.db2.gz IMVLRNJNBLIQIS-KGLIPLIRSA-N -1 0 335.469 3.519 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)Cc2csc(C(C)(C)C)n2)cc1 ZINC000263332684 1029689475 /nfs/dbraw/zinc/68/94/75/1029689475.db2.gz QEFGOFOUJIIIEU-LLVKDONJSA-N -1 0 346.452 3.810 20 0 EHADRM O=C([O-])[C@H](CNC(=O)CC1CC(c2ccccc2)C1)c1ccccc1 ZINC000263370704 1029691669 /nfs/dbraw/zinc/69/16/69/1029691669.db2.gz XYZUPOFCVLGCAX-XUJQIHCRSA-N -1 0 337.419 3.555 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-] ZINC000263414837 1029695989 /nfs/dbraw/zinc/69/59/89/1029695989.db2.gz HQHGTJLVERARRU-NEPJUHHUSA-N -1 0 338.473 3.512 20 0 EHADRM C[C@@H](NC(=O)CCCc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)[O-] ZINC000263436726 1029697583 /nfs/dbraw/zinc/69/75/83/1029697583.db2.gz LPNREQNUITYWKX-VHSXEESVSA-N -1 0 332.227 3.542 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)N(C)[C@H]2CC[C@@H](C)C2)s[n-]1 ZINC000583358500 1029699555 /nfs/dbraw/zinc/69/95/55/1029699555.db2.gz RSXADBYSDYIOPN-KOLCDFICSA-N -1 0 336.486 3.649 20 0 EHADRM C[C@@H]1CN(c2ccccc2NCc2ccc(C(=O)[O-])cc2)C[C@@H](C)O1 ZINC000263482037 1029702292 /nfs/dbraw/zinc/70/22/92/1029702292.db2.gz OEQBBUZMWLKZDI-HUUCEWRRSA-N -1 0 340.423 3.611 20 0 EHADRM Cc1cccc(C2=CCN(C(=O)c3c([O-])cc(F)cc3F)CC2)c1 ZINC000092694794 1029712245 /nfs/dbraw/zinc/71/22/45/1029712245.db2.gz HSGOCQDVEKNPCH-UHFFFAOYSA-N -1 0 329.346 3.908 20 0 EHADRM C[C@@H](N=c1[n-]nc(-c2ccon2)s1)c1cc2cccc(F)c2o1 ZINC000343201862 1029729065 /nfs/dbraw/zinc/72/90/65/1029729065.db2.gz BRKNHHNPXPNYTL-MRVPVSSYSA-N -1 0 330.344 3.673 20 0 EHADRM Cc1ccc2oc(N3CCC(c4nc(C(=O)[O-])cs4)CC3)nc2c1 ZINC000583384119 1029745632 /nfs/dbraw/zinc/74/56/32/1029745632.db2.gz HHVFJAIFZXVPAH-UHFFFAOYSA-N -1 0 343.408 3.675 20 0 EHADRM CC(C)(C)c1n[n-]c(=N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)s1 ZINC000544413812 1029746686 /nfs/dbraw/zinc/74/66/86/1029746686.db2.gz MEIYHPGCNWKHDA-KGLIPLIRSA-N -1 0 335.448 3.729 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)c2c(C)cc(C)cc2C)sc1C(=O)[O-] ZINC000262577548 1029791317 /nfs/dbraw/zinc/79/13/17/1029791317.db2.gz PDPDRNGHEKEHNX-GFCCVEGCSA-N -1 0 332.425 3.566 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc(OC2CCC2)cc1Cl ZINC000431532383 1029798687 /nfs/dbraw/zinc/79/86/87/1029798687.db2.gz ODRRVEBYYHCODP-LLVKDONJSA-N -1 0 339.819 3.597 20 0 EHADRM FC(F)(F)c1n[n-]c(=NCc2cc(Cl)cc(C(F)(F)F)c2)o1 ZINC000428321244 1029802465 /nfs/dbraw/zinc/80/24/65/1029802465.db2.gz YNSPDENVRNPHEB-UHFFFAOYSA-N -1 0 345.630 3.795 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)N(Cc1ccco1)Cc1cccs1 ZINC000324432541 1029806198 /nfs/dbraw/zinc/80/61/98/1029806198.db2.gz CNBYUMBKOHMKPN-JKSUJKDBSA-N -1 0 345.420 3.537 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)c(C)c1 ZINC000525371880 1029821016 /nfs/dbraw/zinc/82/10/16/1029821016.db2.gz XEIQOQPRVBNGJU-UHFFFAOYSA-N -1 0 341.816 3.554 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)c1ccccc1OC1CCCCC1 ZINC000525500672 1029871279 /nfs/dbraw/zinc/87/12/79/1029871279.db2.gz QIQLNYRSJIIIPK-UHFFFAOYSA-N -1 0 337.423 3.740 20 0 EHADRM CCCc1nc(=NC(=O)N2C[C@H](c3ccccc3C)C[C@@H]2C)s[n-]1 ZINC000583468645 1029873481 /nfs/dbraw/zinc/87/34/81/1029873481.db2.gz CGKNRZAFCIAMFE-UONOGXRCSA-N -1 0 344.484 3.631 20 0 EHADRM CO[C@@H](C)c1nc(=NCC(C)(C)c2ccc(Cl)cc2)s[n-]1 ZINC000509641104 1029959017 /nfs/dbraw/zinc/95/90/17/1029959017.db2.gz RHGAWENZDHZFBG-JTQLQIEISA-N -1 0 325.865 3.711 20 0 EHADRM CO[C@H](C)c1nc(=N[C@H](C)c2cccc(C(F)(F)F)c2)s[n-]1 ZINC000509694957 1029969278 /nfs/dbraw/zinc/96/92/78/1029969278.db2.gz VXJZQBNYJISBOJ-RKDXNWHRSA-N -1 0 331.363 3.859 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@H](C)CCc2ccc(OC(C)C)cc2)s[n-]1 ZINC000509698698 1029976897 /nfs/dbraw/zinc/97/68/97/1029976897.db2.gz MFMXIEVTUAHJOO-KGLIPLIRSA-N -1 0 349.500 3.888 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N[C@@H](C)c2cc(C)oc2C)s1 ZINC000343282033 1030080872 /nfs/dbraw/zinc/08/08/72/1030080872.db2.gz BQVVHLSPKXLINK-JTQLQIEISA-N -1 0 336.461 3.956 20 0 EHADRM Cc1n[nH]c(C)c1[N-]S(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000090230458 1030095177 /nfs/dbraw/zinc/09/51/77/1030095177.db2.gz IJKDEGFLICDRCD-UHFFFAOYSA-N -1 0 341.845 3.695 20 0 EHADRM CCSCc1ccnc([N-]S(=O)(=O)c2ccc(CC)s2)c1 ZINC000090367909 1030105721 /nfs/dbraw/zinc/10/57/21/1030105721.db2.gz VXYNULANKNLEDG-UHFFFAOYSA-N -1 0 342.511 3.759 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C)s2)C1(C)C ZINC000042317064 1030137016 /nfs/dbraw/zinc/13/70/16/1030137016.db2.gz CGSMOWUOMJCVGN-YPMHNXCESA-N -1 0 327.471 3.940 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(F)(F)F)cc2)s1 ZINC000042317423 1030146671 /nfs/dbraw/zinc/14/66/71/1030146671.db2.gz BSHPDZBENKTEDN-UHFFFAOYSA-N -1 0 349.355 3.769 20 0 EHADRM CCC[C@H](CC)S(=O)(=O)Nc1ccccc1-c1n[nH]c(C2CC2)n1 ZINC000583567629 1030157818 /nfs/dbraw/zinc/15/78/18/1030157818.db2.gz FXHFQSOQZKTZSZ-ZDUSSCGKSA-N -1 0 348.472 3.670 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2nc(C(C)(C)C)co2)c1 ZINC000550790038 1030165704 /nfs/dbraw/zinc/16/57/04/1030165704.db2.gz ABQWPDJLGNZKQR-UHFFFAOYSA-N -1 0 328.821 3.735 20 0 EHADRM Cc1c(C(=O)N=c2nc(-c3ccccc3)[n-]s2)cnc2ccccc12 ZINC000482115222 1030219202 /nfs/dbraw/zinc/21/92/02/1030219202.db2.gz RAJSYUCKGYQZPV-UHFFFAOYSA-N -1 0 346.415 3.736 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)c3cc(F)cc(Cl)c3[O-])c2)n[nH]1 ZINC000121494961 1030282910 /nfs/dbraw/zinc/28/29/10/1030282910.db2.gz WMRTYLIHVWTUAB-UHFFFAOYSA-N -1 0 346.749 3.531 20 0 EHADRM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)[C@H]1CC[C@H](C2CCC2)CC1 ZINC000667993050 1030296850 /nfs/dbraw/zinc/29/68/50/1030296850.db2.gz MXNPKXJYVGIYRC-HDJSIYSDSA-N -1 0 341.411 3.575 20 0 EHADRM CC[C@@H](NC(=O)NCc1ccc(O)c(Br)c1)C(C)(C)C ZINC000482468724 1030451660 /nfs/dbraw/zinc/45/16/60/1030451660.db2.gz JWLBEPOPNYGCQZ-CYBMUJFWSA-N -1 0 343.265 3.779 20 0 EHADRM O=C(N[C@H](c1cc(F)ccc1F)C(F)F)c1cc(F)c([O-])c(F)c1 ZINC000447722214 1030454749 /nfs/dbraw/zinc/45/47/49/1030454749.db2.gz IWCFLIRXLJSWLV-GFCCVEGCSA-N -1 0 349.230 3.685 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)c3cncc(-c4ccccc4)c3)[nH][n-]2)o1 ZINC000447797806 1030481147 /nfs/dbraw/zinc/48/11/47/1030481147.db2.gz NYKQGBRQQRAJTR-UHFFFAOYSA-N -1 0 344.374 3.714 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)[C@H](C)Sc3ccccc3)[nH][n-]2)o1 ZINC000447804682 1030506146 /nfs/dbraw/zinc/50/61/46/1030506146.db2.gz ZVXVBOMVMJKHHD-LBPRGKRZSA-N -1 0 327.409 3.519 20 0 EHADRM CCc1cccc(NC(=O)N(CC(=O)[O-])Cc2ccc(F)cc2)c1 ZINC000564522856 1030531300 /nfs/dbraw/zinc/53/13/00/1030531300.db2.gz CKFVFDXWUBWERU-UHFFFAOYSA-N -1 0 330.359 3.507 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)C[C@H](C)c1cccc(F)c1 ZINC000237510134 1030537443 /nfs/dbraw/zinc/53/74/43/1030537443.db2.gz IGYWZCVCFLATCL-KSSFIOAISA-N -1 0 343.398 3.960 20 0 EHADRM Cc1cc(=NC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)[n-]nc1C ZINC000532324828 1030553138 /nfs/dbraw/zinc/55/31/38/1030553138.db2.gz ZZXAXQFUCYCXOK-CYBMUJFWSA-N -1 0 348.859 3.527 20 0 EHADRM O=S(=O)([N-]c1cccc(Cl)c1F)c1c(F)cc(F)cc1F ZINC000060441602 1030555457 /nfs/dbraw/zinc/55/54/57/1030555457.db2.gz DMNMEOOXOLCJEQ-UHFFFAOYSA-N -1 0 339.697 3.697 20 0 EHADRM CCC[C@@H]1CCCN(C(=O)c2cccc(Br)c2[O-])C1 ZINC000532334648 1030556969 /nfs/dbraw/zinc/55/69/69/1030556969.db2.gz FEHDYGFPZVWNJE-LLVKDONJSA-N -1 0 326.234 3.807 20 0 EHADRM CCCC[C@H](CC)C(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000447893115 1030572976 /nfs/dbraw/zinc/57/29/76/1030572976.db2.gz KVHNBDLYSCUIDU-SJCJKPOMSA-N -1 0 348.418 3.635 20 0 EHADRM O=C(Nc1ccccc1F)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000193667524 1030600312 /nfs/dbraw/zinc/60/03/12/1030600312.db2.gz RBWYQOZQKLNUHI-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM CC(C)n1cc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cn1 ZINC000157535915 1030627420 /nfs/dbraw/zinc/62/74/20/1030627420.db2.gz MBDHUOMUDJMVTF-UHFFFAOYSA-N -1 0 334.228 3.572 20 0 EHADRM COc1ccccc1CN=c1[n-]nc(SCc2ccccc2)s1 ZINC000447958163 1030628018 /nfs/dbraw/zinc/62/80/18/1030628018.db2.gz FFVYSTXDHBMOSP-UHFFFAOYSA-N -1 0 343.477 3.873 20 0 EHADRM CCN(C(=O)N=c1[n-]nc(/C=C/c2ccco2)s1)[C@@H](C)C(C)C ZINC000343387795 1030648348 /nfs/dbraw/zinc/64/83/48/1030648348.db2.gz ITNDJLBEVJRTIM-BCPZQOPPSA-N -1 0 334.445 3.622 20 0 EHADRM C[C@H]1CCC[C@H](N(C)C(=O)N=c2nc(-c3ccsc3)[n-]s2)C1 ZINC000447999720 1030650331 /nfs/dbraw/zinc/65/03/31/1030650331.db2.gz KXRYRTGVMOTGRW-JQWIXIFHSA-N -1 0 336.486 3.731 20 0 EHADRM COc1cc(Nc2ccc(C)c(C(=O)[O-])c2)c(Br)cn1 ZINC001211596622 1030652617 /nfs/dbraw/zinc/65/26/17/1030652617.db2.gz HMGFCPYYVKUQHO-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM Cn1ccnc1Sc1ccc(NC(=O)c2c([O-])cccc2F)cc1 ZINC000122508470 1030658860 /nfs/dbraw/zinc/65/88/60/1030658860.db2.gz CBXMQAUJVNBPHY-UHFFFAOYSA-N -1 0 343.383 3.668 20 0 EHADRM CC1(C)CCCN(C(=O)N=c2nc(-c3ccsc3)[n-]s2)CC1 ZINC000448004176 1030659821 /nfs/dbraw/zinc/65/98/21/1030659821.db2.gz MITQJZUTRVVKPG-UHFFFAOYSA-N -1 0 336.486 3.733 20 0 EHADRM C[C@@H](CC(=O)[O-])N(C)C(=O)c1cc2cc(C(F)(F)F)ccc2s1 ZINC000583764281 1030670646 /nfs/dbraw/zinc/67/06/46/1030670646.db2.gz DEGSSZOZTJEKBA-QMMMGPOBSA-N -1 0 345.342 3.855 20 0 EHADRM CC(C)(C)CN(Cc1ccccc1)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000448156396 1030777157 /nfs/dbraw/zinc/77/71/57/1030777157.db2.gz SMGWGJIQSSXIPU-UHFFFAOYSA-N -1 0 338.455 3.856 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000448155990 1030779524 /nfs/dbraw/zinc/77/95/24/1030779524.db2.gz NQBDNDBINGUXSF-WMZOPIPTSA-N -1 0 336.439 3.624 20 0 EHADRM O=C(NCc1cccc2cc[nH]c21)c1cccc(Br)c1[O-] ZINC000527295835 1030779711 /nfs/dbraw/zinc/77/97/11/1030779711.db2.gz CMQFFCVLGOFDPL-UHFFFAOYSA-N -1 0 345.196 3.566 20 0 EHADRM Cc1ccccc1S([O-])=CC(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000194529996 1030839356 /nfs/dbraw/zinc/83/93/56/1030839356.db2.gz RODIQVOPWDNCQG-CYFREDJKSA-N -1 0 347.455 3.755 20 0 EHADRM CCc1cccc(Cl)c1CN=c1[n-]nc(-c2ccccc2OC)o1 ZINC000551086304 1031030724 /nfs/dbraw/zinc/03/07/24/1031030724.db2.gz MZZNZWUMBDJUCL-UHFFFAOYSA-N -1 0 343.814 3.995 20 0 EHADRM CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1cc(C)ccc1Cl ZINC000783873615 1031096863 /nfs/dbraw/zinc/09/68/63/1031096863.db2.gz MRTXNMDRGMLMDE-UHFFFAOYSA-N -1 0 341.791 3.791 20 0 EHADRM CCc1ncc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)s1 ZINC000545181327 1031122777 /nfs/dbraw/zinc/12/27/77/1031122777.db2.gz BBLYYVUEOWIOBG-UHFFFAOYSA-N -1 0 349.437 3.525 20 0 EHADRM CC(C)c1ccc(S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)cc1 ZINC000483573465 1031226565 /nfs/dbraw/zinc/22/65/65/1031226565.db2.gz ITTSLRIHJCEODO-UHFFFAOYSA-N -1 0 341.436 3.797 20 0 EHADRM Cc1cscc1NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC000151262033 1031279725 /nfs/dbraw/zinc/27/97/25/1031279725.db2.gz OBTUFXDPFWGZRX-UHFFFAOYSA-N -1 0 331.372 3.648 20 0 EHADRM COCc1n[n-]c(=NCC(C)(C)c2ccc(Cl)c(Cl)c2)s1 ZINC000477185183 1031326908 /nfs/dbraw/zinc/32/69/08/1031326908.db2.gz GTHNOHDXKOWFLW-UHFFFAOYSA-N -1 0 346.283 3.803 20 0 EHADRM Cc1[nH]nc([N-]S(=O)(=O)c2cccc(F)c2C)c1-c1ccccc1 ZINC000536194813 1031451369 /nfs/dbraw/zinc/45/13/69/1031451369.db2.gz WMDICBHNNRFUAS-UHFFFAOYSA-N -1 0 345.399 3.633 20 0 EHADRM CO[C@@H](C)c1nc(CN=c2nc(-c3ccccc3C)[n-]s2)cs1 ZINC000527919195 1031455059 /nfs/dbraw/zinc/45/50/59/1031455059.db2.gz FQTMZAHPAXSYIA-NSHDSACASA-N -1 0 346.481 3.711 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCC[C@H](c3ccc(F)cc3)CC2)c1 ZINC000668314432 1031462001 /nfs/dbraw/zinc/46/20/01/1031462001.db2.gz OSHUUDBGAZNDRD-AWEZNQCLSA-N -1 0 341.382 3.934 20 0 EHADRM CCC(CC)[C@@H](NC(=O)c1ccc2oc(=O)nc-2[n-]1)c1cccs1 ZINC000667002161 1031516716 /nfs/dbraw/zinc/51/67/16/1031516716.db2.gz DNBFIJNSAPJNNY-CQSZACIVSA-N -1 0 345.424 3.897 20 0 EHADRM COC(=O)c1ccc(CNc2ccc([C@@H](C)CC(=O)[O-])cc2)c(F)c1 ZINC000904014005 1031598525 /nfs/dbraw/zinc/59/85/25/1031598525.db2.gz LSXCKNYESSASFJ-LBPRGKRZSA-N -1 0 345.370 3.803 20 0 EHADRM CC1(C)CC[C@](NCc2cnc(C3CC3)o2)(C(=O)[O-])c2ccccc21 ZINC000904010125 1031628579 /nfs/dbraw/zinc/62/85/79/1031628579.db2.gz FNRMSMOKRXNMSJ-HXUWFJFHSA-N -1 0 340.423 3.693 20 0 EHADRM CC(C)c1c[nH]c(CN[C@@]2(C(=O)[O-])C[C@H](C(C)C)c3ccccc32)n1 ZINC000904010924 1031629136 /nfs/dbraw/zinc/62/91/36/1031629136.db2.gz SUMJSTKWZRJSKD-QRWLVFNGSA-N -1 0 341.455 3.746 20 0 EHADRM CCN=c1[n-]nc(S[C@@H](CC)C(=O)c2ccc(Cl)cc2)s1 ZINC000477529070 1031633600 /nfs/dbraw/zinc/63/36/00/1031633600.db2.gz YIFOHDFCLSKJFZ-NSHDSACASA-N -1 0 341.889 3.799 20 0 EHADRM Cc1cc2c(c(F)c1)C[C@H](c1nc(C3(C(=O)[O-])CCCCC3)no1)N2 ZINC000904078202 1031707852 /nfs/dbraw/zinc/70/78/52/1031707852.db2.gz URAZXFGUMZJIHI-CQSZACIVSA-N -1 0 345.374 3.513 20 0 EHADRM CC(C)(C)CN(Cc1ccccc1)C(=O)N=c1[n-]nc(C2CC2)s1 ZINC000551952828 1031789660 /nfs/dbraw/zinc/78/96/60/1031789660.db2.gz NSVDNBIYGPLNID-UHFFFAOYSA-N -1 0 344.484 3.918 20 0 EHADRM O=S(=O)([N-]c1cccc(OCCc2ccccc2)c1)c1ccoc1 ZINC000349994275 1031798959 /nfs/dbraw/zinc/79/89/59/1031798959.db2.gz ZJHJVEGGOGHFLZ-UHFFFAOYSA-N -1 0 343.404 3.702 20 0 EHADRM Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000180352406 1031843233 /nfs/dbraw/zinc/84/32/33/1031843233.db2.gz MAKVDOPUKJMBTA-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM Cc1coc(-c2cccc(N[C@H]3C[C@H](NC(=O)[O-])C34CCC4)c2)n1 ZINC000904199565 1031845877 /nfs/dbraw/zinc/84/58/77/1031845877.db2.gz LTVKSFADEUBQKF-GJZGRUSLSA-N -1 0 327.384 3.641 20 0 EHADRM Cc1ccc(-c2ncco2)cc1N[C@H]1C[C@H](NC(=O)[O-])C12CCC2 ZINC000904201044 1031847241 /nfs/dbraw/zinc/84/72/41/1031847241.db2.gz XOMDBDZDCBSASY-GJZGRUSLSA-N -1 0 327.384 3.641 20 0 EHADRM O=C([O-])N[C@H]1C[C@@H](Nc2cccc(N3CCCCC3)c2)C12CCC2 ZINC000904199687 1031847326 /nfs/dbraw/zinc/84/73/26/1031847326.db2.gz RKZHPZWYKRVZKE-SJORKVTESA-N -1 0 329.444 3.668 20 0 EHADRM O=C([O-])c1sc2ccsc2c1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000568617796 1031854537 /nfs/dbraw/zinc/85/45/37/1031854537.db2.gz WNJROOPQWUMWMW-OPRDCNLKSA-N -1 0 335.450 3.713 20 0 EHADRM CC(C)Oc1cccc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000666107887 1031904541 /nfs/dbraw/zinc/90/45/41/1031904541.db2.gz HRQCIFCPRAAVED-QGZVFWFLSA-N -1 0 327.380 3.671 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)[C@H]1OCCc2ccccc21 ZINC000159222091 1031967136 /nfs/dbraw/zinc/96/71/36/1031967136.db2.gz NEHAZPIPQONMIO-HNNXBMFYSA-N -1 0 338.190 3.952 20 0 EHADRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cncc2ccccc21 ZINC000533939196 1031995289 /nfs/dbraw/zinc/99/52/89/1031995289.db2.gz LLMWAQHDRDGLIS-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1nc2ccccc2s1 ZINC000537873605 1031998213 /nfs/dbraw/zinc/99/82/13/1031998213.db2.gz UQXJKIFPRYQJEK-UHFFFAOYSA-N -1 0 340.376 3.516 20 0 EHADRM O=C([O-])c1nc(-c2ccccc2OC[C@@H]2CCOC2)sc1C1CC1 ZINC000574704494 1033363171 /nfs/dbraw/zinc/36/31/71/1033363171.db2.gz NKQUCIVLYANZCJ-LLVKDONJSA-N -1 0 345.420 3.801 20 0 EHADRM CS[C@@H](C)Cc1nc(-c2cc(F)c([O-])c(Br)c2)no1 ZINC000598685191 1033383826 /nfs/dbraw/zinc/38/38/26/1033383826.db2.gz XXKWWLWMHPSEED-LURJTMIESA-N -1 0 347.209 3.638 20 0 EHADRM CC(C)SCc1nc(-c2cc(F)c([O-])c(Br)c2)no1 ZINC000598685244 1033385370 /nfs/dbraw/zinc/38/53/70/1033385370.db2.gz ZPGVARAVSNPGMM-UHFFFAOYSA-N -1 0 347.209 3.985 20 0 EHADRM Cc1nc(=NCc2ccc(Oc3cc(C)ccc3C)nc2)s[n-]1 ZINC000608079739 1033463532 /nfs/dbraw/zinc/46/35/32/1033463532.db2.gz HPYDGBFYUGCABJ-UHFFFAOYSA-N -1 0 326.425 3.685 20 0 EHADRM Cc1nc(=NCc2ccc(Oc3ccccc3F)c(F)c2)s[n-]1 ZINC000608090286 1033486757 /nfs/dbraw/zinc/48/67/57/1033486757.db2.gz OLBOADBTVUPCOI-UHFFFAOYSA-N -1 0 333.363 3.951 20 0 EHADRM CC(C)[C@H](C(=O)[O-])[S@@](=O)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000594659151 1033494052 /nfs/dbraw/zinc/49/40/52/1033494052.db2.gz MLQXXLJJZWQSKZ-FIKIJFGZSA-N -1 0 342.766 3.717 20 0 EHADRM CC(C)c1cc(CNC(=O)c2c([O-])cc(Cl)cc2Cl)on1 ZINC000080028204 1033495678 /nfs/dbraw/zinc/49/56/78/1033495678.db2.gz SXDGRNONDASMMQ-UHFFFAOYSA-N -1 0 329.183 3.740 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N[C@H](CC2CC2)c2ccccc2)s1 ZINC000608263864 1033558982 /nfs/dbraw/zinc/55/89/82/1033558982.db2.gz OESHOXIZEHAKQZ-OAHLLOKOSA-N -1 0 344.484 3.821 20 0 EHADRM C[C@@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1cccc(Cl)c1Cl ZINC000608340446 1033644535 /nfs/dbraw/zinc/64/45/35/1033644535.db2.gz YEDZHDLXCFOVBM-JLLWLGSASA-N -1 0 342.222 3.838 20 0 EHADRM Cc1cc(F)c(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)cc1F ZINC000431618332 1033680629 /nfs/dbraw/zinc/68/06/29/1033680629.db2.gz PPKFLLLPQKFKPJ-CQSZACIVSA-N -1 0 347.333 3.558 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)nc2)c2cccnc2c1C ZINC000174022746 1033684030 /nfs/dbraw/zinc/68/40/30/1033684030.db2.gz ZNCYMFCSUFQZAW-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)c1cccc(Br)c1[O-] ZINC000608451102 1033709119 /nfs/dbraw/zinc/70/91/19/1033709119.db2.gz BYGNDMNINOKHCV-YOEHRIQHSA-N -1 0 346.224 3.615 20 0 EHADRM COC1(C(=O)Nc2cc(Cl)cc(Br)c2[O-])CCCC1 ZINC000574976398 1033745483 /nfs/dbraw/zinc/74/54/83/1033745483.db2.gz GMBXZHAIRMQIBP-UHFFFAOYSA-N -1 0 348.624 3.706 20 0 EHADRM CC(C)CN(C(=O)c1nn(-c2ccccc2F)cc1[O-])C1CCCC1 ZINC000450128061 1033787133 /nfs/dbraw/zinc/78/71/33/1033787133.db2.gz TZEWSMDEOWNJBF-UHFFFAOYSA-N -1 0 345.418 3.758 20 0 EHADRM CC(C)COc1ccccc1NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000575126882 1033866110 /nfs/dbraw/zinc/86/61/10/1033866110.db2.gz TYTALCWFKBYTNT-UHFFFAOYSA-N -1 0 333.428 3.941 20 0 EHADRM C[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)[C@@H]1CCC[C@H](C)C1 ZINC001212177758 1033877605 /nfs/dbraw/zinc/87/76/05/1033877605.db2.gz XCZWXSUBUGDLAU-GARJFASQSA-N -1 0 335.391 3.597 20 0 EHADRM CCc1ccccc1OCC(=O)[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000046930044 1033894581 /nfs/dbraw/zinc/89/45/81/1033894581.db2.gz AWOXTJKLOPLJKB-UHFFFAOYSA-N -1 0 347.436 3.590 20 0 EHADRM CCCSc1nc(=NC(=O)Nc2ccccc2OCC)s[n-]1 ZINC000476475622 1033900062 /nfs/dbraw/zinc/90/00/62/1033900062.db2.gz GKNLIRDIPYKPOU-UHFFFAOYSA-N -1 0 338.458 3.505 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C(C)(C)C)c1 ZINC000612013634 1033912800 /nfs/dbraw/zinc/91/28/00/1033912800.db2.gz AGNUBECKLHSTJK-OAHLLOKOSA-N -1 0 339.395 3.754 20 0 EHADRM CC(C)(C)c1ccc(O)c([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000612042284 1033917199 /nfs/dbraw/zinc/91/71/99/1033917199.db2.gz IZXDKLDOTFQRAS-UHFFFAOYSA-N -1 0 341.379 3.769 20 0 EHADRM CCc1n[n-]c(=NC(=O)N2CCC[C@H]2[C@@H](CC)c2ccccc2)s1 ZINC000476491703 1033956076 /nfs/dbraw/zinc/95/60/76/1033956076.db2.gz RGOVBEGYXBFZQH-GJZGRUSLSA-N -1 0 344.484 3.713 20 0 EHADRM CSCc1cccc(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)c1 ZINC000596060321 1034064752 /nfs/dbraw/zinc/06/47/52/1034064752.db2.gz YNIWCIBJHMYQPR-AWEZNQCLSA-N -1 0 338.473 3.808 20 0 EHADRM CC[C@H](C)C(=O)CSc1n[n-]c(=Nc2ccccc2F)s1 ZINC000534053966 1034076721 /nfs/dbraw/zinc/07/67/21/1034076721.db2.gz OAXSPFHHIPGYJK-VIFPVBQESA-N -1 0 325.434 3.550 20 0 EHADRM C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000119162888 1034090265 /nfs/dbraw/zinc/09/02/65/1034090265.db2.gz SRUDRPOAMIWRJS-QFYYESIMSA-N -1 0 349.789 3.649 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccco2)s1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000603972181 1034107903 /nfs/dbraw/zinc/10/79/03/1034107903.db2.gz WUAVPICZNULOEO-KRWDZBQOSA-N -1 0 344.440 3.574 20 0 EHADRM Cc1cc(-c2cc(F)ccc2CC(=O)[O-])ccc1O[C@@H]1CCOC1 ZINC000517176412 1034267843 /nfs/dbraw/zinc/26/78/43/1034267843.db2.gz MOBCKPADLOEYEP-MRXNPFEDSA-N -1 0 330.355 3.596 20 0 EHADRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1scnc1C1CC1 ZINC000534238701 1034280212 /nfs/dbraw/zinc/28/02/12/1034280212.db2.gz RLEYTNNRPKRHFE-UHFFFAOYSA-N -1 0 328.846 3.783 20 0 EHADRM O=C(C[C@@H]1CCc2ccccc21)N=c1nc(-c2ccsc2)[n-]s1 ZINC000604284386 1034303978 /nfs/dbraw/zinc/30/39/78/1034303978.db2.gz SBBDYBXAAJYSOJ-LBPRGKRZSA-N -1 0 341.461 3.747 20 0 EHADRM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])C1CCCCC1)c1c(F)cccc1F ZINC000450512814 1034447757 /nfs/dbraw/zinc/44/77/57/1034447757.db2.gz SSFSJFOOHRZYMG-ABAIWWIYSA-N -1 0 339.382 3.608 20 0 EHADRM CC1(c2nc(=NC(=O)c3cc4cc(F)ccc4s3)s[n-]2)CC1 ZINC000529701640 1034449024 /nfs/dbraw/zinc/44/90/24/1034449024.db2.gz FBPMQUCSZBMPPR-UHFFFAOYSA-N -1 0 333.413 3.618 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000604709117 1034462550 /nfs/dbraw/zinc/46/25/50/1034462550.db2.gz QZKLRCKSOBYVCG-JTQLQIEISA-N -1 0 333.844 3.549 20 0 EHADRM CC(C)c1ccc(SCC(=O)N=c2ccc(C3CC3)n[n-]2)cc1 ZINC000604708685 1034462789 /nfs/dbraw/zinc/46/27/89/1034462789.db2.gz PRALBDQLFZTGFA-UHFFFAOYSA-N -1 0 327.453 3.630 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)N=c2nc(C(C)(C)C)[n-]s2)c(C)s1 ZINC000604801359 1034509483 /nfs/dbraw/zinc/50/94/83/1034509483.db2.gz DKANFYMCPUSMHW-SECBINFHSA-N -1 0 338.502 3.819 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)N[C@H](c2ccccc2)C2CCC2)s[n-]1 ZINC000604801795 1034509716 /nfs/dbraw/zinc/50/97/16/1034509716.db2.gz RDOHXYAQVXWXGR-CQSZACIVSA-N -1 0 344.484 3.920 20 0 EHADRM C[C@H](N=c1nc(C(F)(F)F)[n-]s1)c1ccc(F)cc1Cl ZINC000450563061 1034525912 /nfs/dbraw/zinc/52/59/12/1034525912.db2.gz RNKAXNVGTFSHCY-YFKPBYRVSA-N -1 0 325.718 3.944 20 0 EHADRM c1ccc(-c2n[n-]c(=NCc3ccccc3N3CCCC3)s2)cc1 ZINC000601505422 1034560410 /nfs/dbraw/zinc/56/04/10/1034560410.db2.gz NHITYVLFPCEAAE-UHFFFAOYSA-N -1 0 336.464 3.839 20 0 EHADRM CC[C@@H](CCc1ccccc1)NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000529801194 1034595975 /nfs/dbraw/zinc/59/59/75/1034595975.db2.gz UDDHAXPUCBIAPJ-LBPRGKRZSA-N -1 0 337.341 3.951 20 0 EHADRM Fc1cc(F)cc(O[C@H]2CCC[C@H]2N=c2[n-]nc(C3CC3)s2)c1 ZINC000343813930 1034637211 /nfs/dbraw/zinc/63/72/11/1034637211.db2.gz QRUZUKYFHZMXSE-KGLIPLIRSA-N -1 0 337.395 3.528 20 0 EHADRM CCOC(=O)CCc1c(C)[n-]n([C@@H](C)c2ccc(Cl)cc2)c1=O ZINC000601936549 1034813666 /nfs/dbraw/zinc/81/36/66/1034813666.db2.gz UGNZDZPZFVEDIT-WFASDCNBSA-N -1 0 336.819 3.579 20 0 EHADRM CCOC(=O)CCc1c(C)[n-]n(-c2cccc(Cl)c2Cl)c1=O ZINC000601933664 1034829602 /nfs/dbraw/zinc/82/96/02/1034829602.db2.gz FMOWRVIGBOVUHU-SNVBAGLBSA-N -1 0 343.210 3.675 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)Nc1cccc(-c2cccs2)c1)C(=O)[O-] ZINC000601983951 1034847657 /nfs/dbraw/zinc/84/76/57/1034847657.db2.gz MWDMGXTZVVRFDE-WDEREUQCSA-N -1 0 335.450 3.948 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000601983902 1034847796 /nfs/dbraw/zinc/84/77/96/1034847796.db2.gz QWCVMSRRCIWELN-NEPJUHHUSA-N -1 0 341.432 3.791 20 0 EHADRM CC(C)Cn1cc(C(=O)Nc2cccc(F)c2O)c(C(F)F)n1 ZINC000530006356 1034853354 /nfs/dbraw/zinc/85/33/54/1034853354.db2.gz RHBMGWCLAJKONP-UHFFFAOYSA-N -1 0 327.306 3.574 20 0 EHADRM CCCc1nc(CN2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cs1 ZINC000584481350 1034947181 /nfs/dbraw/zinc/94/71/81/1034947181.db2.gz LCJBDOYWAVDTMX-GDBMZVCRSA-N -1 0 336.501 3.951 20 0 EHADRM O=C(c1nn(-c2ccccc2)cc1[O-])N1CCCC[C@H]1c1ccccc1 ZINC000570016662 1034975061 /nfs/dbraw/zinc/97/50/61/1034975061.db2.gz SVIGPFHIPVARIP-SFHVURJKSA-N -1 0 347.418 3.945 20 0 EHADRM O=S(=O)([N-]c1ccccc1N1CCCC1)c1sccc1Cl ZINC000450974302 1034998171 /nfs/dbraw/zinc/99/81/71/1034998171.db2.gz UMNTVOVPBJPRJR-UHFFFAOYSA-N -1 0 342.873 3.803 20 0 EHADRM Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2sccc2F)s1 ZINC000451020825 1035018082 /nfs/dbraw/zinc/01/80/82/1035018082.db2.gz NJXINVRQXKEERL-UHFFFAOYSA-N -1 0 334.463 3.651 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2sccc2Cl)cc1C ZINC000451026040 1035046682 /nfs/dbraw/zinc/04/66/82/1035046682.db2.gz DIDGQYJPVLJEMR-MRVPVSSYSA-N -1 0 333.866 3.678 20 0 EHADRM Cc1cc(NC(=O)c2cc(F)cc3cccnc32)cc(C(=O)[O-])c1C ZINC000431685853 1035232727 /nfs/dbraw/zinc/23/27/27/1035232727.db2.gz LPSGNZSWTFYTNL-UHFFFAOYSA-N -1 0 338.338 3.941 20 0 EHADRM CC(C)C(=O)c1ccc(NC(=O)CC2(CC(=O)[O-])CCCC2)cc1 ZINC000414097351 1035492742 /nfs/dbraw/zinc/49/27/42/1035492742.db2.gz RQSWGHSMDKEYAI-UHFFFAOYSA-N -1 0 331.412 3.889 20 0 EHADRM CO[C@H](C)c1nsc(=NCCCCCOC2CCCCC2)[n-]1 ZINC000509714122 1035521857 /nfs/dbraw/zinc/52/18/57/1035521857.db2.gz QPDQTLOJADMANT-CYBMUJFWSA-N -1 0 327.494 3.599 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(Cl)c(F)c1)C1CCCCC1 ZINC000431796993 1035546547 /nfs/dbraw/zinc/54/65/47/1035546547.db2.gz BSIDSKXJBRBCKP-AWEZNQCLSA-N -1 0 327.783 3.633 20 0 EHADRM O=C(C[C@@H]1OCCc2ccccc21)Nc1cc(Cl)c([O-])cc1F ZINC000376248300 1035574056 /nfs/dbraw/zinc/57/40/56/1035574056.db2.gz CLUFTGHLSXIYAY-INIZCTEOSA-N -1 0 335.762 3.827 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2csc(-c3ccncc3)n2)c(C)c1 ZINC000185963002 1035576520 /nfs/dbraw/zinc/57/65/20/1035576520.db2.gz QVMBJPPIDPVDMO-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(=O)c2ccccc2[n-]1 ZINC000055543855 1035606705 /nfs/dbraw/zinc/60/67/05/1035606705.db2.gz UUACYGSMTBBNNY-UHFFFAOYSA-N -1 0 347.418 3.771 20 0 EHADRM CC(C)C[C@H](CNC(=O)N(C)[C@@H](C)c1ccccc1Cl)C(=O)[O-] ZINC000321296011 1035620942 /nfs/dbraw/zinc/62/09/42/1035620942.db2.gz BCMBONVPFXIPAA-QWHCGFSZSA-N -1 0 340.851 3.789 20 0 EHADRM Cc1c(C(=O)N[C@@H](CC(=O)[O-])C2CCCCC2)cnc2ccccc12 ZINC000431804750 1035621291 /nfs/dbraw/zinc/62/12/91/1035621291.db2.gz MGENYKJXCVEWCT-SFHVURJKSA-N -1 0 340.423 3.697 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCCc2cc(F)ccc21 ZINC000174683101 1035648872 /nfs/dbraw/zinc/64/88/72/1035648872.db2.gz GJZPBNOHGIFWOB-UHFFFAOYSA-N -1 0 328.368 3.849 20 0 EHADRM CCC(CC)c1nnc([N-]S(=O)(=O)Cc2cccc(C)c2)s1 ZINC000186602552 1035668497 /nfs/dbraw/zinc/66/84/97/1035668497.db2.gz TVFOONBCAITXDG-UHFFFAOYSA-N -1 0 339.486 3.692 20 0 EHADRM Cc1cc(C)c(CN=c2[n-]nc(Cc3cccc(F)c3)o2)c(C)c1 ZINC000540791493 1035683189 /nfs/dbraw/zinc/68/31/89/1035683189.db2.gz SBXSGOWXIFWHGO-UHFFFAOYSA-N -1 0 325.387 3.759 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)Oc2ccccc2Cl)c1 ZINC000540843126 1035727173 /nfs/dbraw/zinc/72/71/73/1035727173.db2.gz IQKZOFWBKKBMRK-LLVKDONJSA-N -1 0 333.771 3.654 20 0 EHADRM Cc1ccccc1C1(CN=c2[n-]c(-c3ccccc3)no2)CCOCC1 ZINC000588161958 1035735409 /nfs/dbraw/zinc/73/54/09/1035735409.db2.gz MXUNCXSDNYVCLH-UHFFFAOYSA-N -1 0 349.434 3.627 20 0 EHADRM O=S(=O)(CCCC(F)(F)F)[N-][C@H](c1ccccc1)C(F)(F)F ZINC000540874140 1035754925 /nfs/dbraw/zinc/75/49/25/1035754925.db2.gz NGFBBVPAWNZRQM-SNVBAGLBSA-N -1 0 349.296 3.552 20 0 EHADRM C[C@H]1CCC[C@@H](N(C)C(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])C1 ZINC000666170223 1035782270 /nfs/dbraw/zinc/78/22/70/1035782270.db2.gz PUQRKYRMXQMXBP-WCQYABFASA-N -1 0 349.381 3.507 20 0 EHADRM C[C@@H]1CCC[C@H](N(C)C(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])C1 ZINC000666170224 1035783227 /nfs/dbraw/zinc/78/32/27/1035783227.db2.gz PUQRKYRMXQMXBP-YPMHNXCESA-N -1 0 349.381 3.507 20 0 EHADRM CO[C@H](C)c1nc(=NCCc2c(Cl)cccc2Cl)s[n-]1 ZINC000509692434 1035835747 /nfs/dbraw/zinc/83/57/47/1035835747.db2.gz JBCYUYKHRFFIIZ-MRVPVSSYSA-N -1 0 332.256 3.629 20 0 EHADRM O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)[C@@H]1CCCc2ccccc21 ZINC000045100321 1035844135 /nfs/dbraw/zinc/84/41/35/1035844135.db2.gz JJEFACVOKOVWKX-QGZVFWFLSA-N -1 0 347.411 3.732 20 0 EHADRM CC[C@](C)(NC(=O)Nc1ccc(Oc2cccc(F)c2)cc1)C(=O)[O-] ZINC000571990541 1035861376 /nfs/dbraw/zinc/86/13/76/1035861376.db2.gz PMHRHFXMEDKRGN-SFHVURJKSA-N -1 0 346.358 3.993 20 0 EHADRM Cc1ccc(CCCC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1 ZINC000263101968 1035906549 /nfs/dbraw/zinc/90/65/49/1035906549.db2.gz CWIZIMRNMGPCQT-UHFFFAOYSA-N -1 0 329.371 3.723 20 0 EHADRM C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000319668679 1035989739 /nfs/dbraw/zinc/98/97/39/1035989739.db2.gz SCCGJGQLTWVZGU-VIFPVBQESA-N -1 0 337.734 3.583 20 0 EHADRM Cc1cc(-c2ccccc2)ccc1NC(=O)N(C)CCCC(=O)[O-] ZINC000572136148 1036012262 /nfs/dbraw/zinc/01/22/62/1036012262.db2.gz JWGIOTLUSCXGCH-UHFFFAOYSA-N -1 0 326.396 3.991 20 0 EHADRM CCOc1cc(C(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)ccc1C ZINC000646464963 1036012369 /nfs/dbraw/zinc/01/23/69/1036012369.db2.gz DUOOPKDVTVDHKK-UHFFFAOYSA-N -1 0 337.379 3.742 20 0 EHADRM CCCc1c([N-]S(=O)(=O)c2cccs2)cnn1-c1ccccc1 ZINC000541165212 1036050674 /nfs/dbraw/zinc/05/06/74/1036050674.db2.gz OWEKIJHHUSZJIM-UHFFFAOYSA-N -1 0 347.465 3.687 20 0 EHADRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCCC2(CCCC2)C1 ZINC000572246010 1036056231 /nfs/dbraw/zinc/05/62/31/1036056231.db2.gz KHFRKXGXGHJIOA-UHFFFAOYSA-N -1 0 338.791 3.750 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)nc2)c1 ZINC000588832881 1036150198 /nfs/dbraw/zinc/15/01/98/1036150198.db2.gz OGIUGOJYCHVKNX-UHFFFAOYSA-N -1 0 332.425 3.512 20 0 EHADRM O=S(=O)([N-]c1cc(-c2ccccc2)on1)c1ccccc1Cl ZINC000174972175 1036187132 /nfs/dbraw/zinc/18/71/32/1036187132.db2.gz ANDNCEZSPCGVRX-UHFFFAOYSA-N -1 0 334.784 3.796 20 0 EHADRM O=C1c2ccccc2C[C@@H]1Sc1n[n-]c(=NC2CCCCC2)s1 ZINC000492726154 1036215618 /nfs/dbraw/zinc/21/56/18/1036215618.db2.gz ZNQVPHQIFIVDLH-AWEZNQCLSA-N -1 0 345.493 3.604 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2cccc(C(F)F)c2Cl)C1 ZINC000263129607 1036263929 /nfs/dbraw/zinc/26/39/29/1036263929.db2.gz MXVGDJXSRTVJSH-IUCAKERBSA-N -1 0 346.761 3.852 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)cc1 ZINC000024425257 1036268990 /nfs/dbraw/zinc/26/89/90/1036268990.db2.gz HPPPOAYLNMXSKU-GFCCVEGCSA-N -1 0 329.425 3.877 20 0 EHADRM Cc1cccc([C@@H]2CCN(C(=O)N=c3[n-]nc(C(C)(C)C)s3)C2)c1 ZINC000541421107 1036289364 /nfs/dbraw/zinc/28/93/64/1036289364.db2.gz KMLSRFLKFOICRS-CQSZACIVSA-N -1 0 344.484 3.587 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccnn2[C@@H](C)CC(C)C)c1 ZINC000589270215 1036334268 /nfs/dbraw/zinc/33/42/68/1036334268.db2.gz SIYBVLXFBCTLRR-ZDUSSCGKSA-N -1 0 339.436 3.739 20 0 EHADRM CC(C)C[C@H](C)n1nccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000589270869 1036335359 /nfs/dbraw/zinc/33/53/59/1036335359.db2.gz KMUAIXJQWHSHAC-AWEZNQCLSA-N -1 0 347.484 3.780 20 0 EHADRM Cc1ccc2cccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)c2n1 ZINC000589438965 1036415166 /nfs/dbraw/zinc/41/51/66/1036415166.db2.gz IWGFOUUIBSJAKP-UHFFFAOYSA-N -1 0 326.421 3.961 20 0 EHADRM CC(C)(C)[C@@H]1C[C@@H](N=c2[n-]nc(Cc3ccc(F)cc3)s2)CCO1 ZINC000541577970 1036471702 /nfs/dbraw/zinc/47/17/02/1036471702.db2.gz NCYASYJOIZNCSP-GJZGRUSLSA-N -1 0 349.475 3.696 20 0 EHADRM COc1cccc([C@@H](C)N=c2[n-]nc(Cc3ccc(F)cc3)s2)c1 ZINC000541590833 1036475934 /nfs/dbraw/zinc/47/59/34/1036475934.db2.gz QFWSXUIHGSADDS-GFCCVEGCSA-N -1 0 343.427 3.872 20 0 EHADRM Cc1cc(C(F)(F)F)ncc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000685902350 1036491377 /nfs/dbraw/zinc/49/13/77/1036491377.db2.gz OKEJIPSWHJZYOW-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(C2CCC2)cn1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653546451 1036612828 /nfs/dbraw/zinc/61/28/28/1036612828.db2.gz FUWQXVISDWEADH-TUKIKUTGSA-N -1 0 345.443 3.606 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)cc1)C(=O)[O-] ZINC000263185963 1036615199 /nfs/dbraw/zinc/61/51/99/1036615199.db2.gz WSGPKHGBAYFMEN-UUWFMWQGSA-N -1 0 341.382 3.831 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)Cc2ccc(Cl)cc2Cl)s[n-]1 ZINC000589935860 1036666605 /nfs/dbraw/zinc/66/66/05/1036666605.db2.gz DTMTZUCGUYWESN-UHFFFAOYSA-N -1 0 344.267 3.746 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)C(=O)N=c2nc(C(C)(C)C)[n-]s2)c1 ZINC000589937549 1036667637 /nfs/dbraw/zinc/66/76/37/1036667637.db2.gz MEZYZMYMWXJKPY-LBPRGKRZSA-N -1 0 347.484 3.787 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)s[n-]1 ZINC000589937877 1036669734 /nfs/dbraw/zinc/66/97/34/1036669734.db2.gz XUKDJSOHKBSLOF-RYUDHWBXSA-N -1 0 335.860 3.653 20 0 EHADRM CCCC[C@@H]1CCC[C@@H]1NC(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000590135734 1036785507 /nfs/dbraw/zinc/78/55/07/1036785507.db2.gz DLNQDJRDVPZBOG-NEPJUHHUSA-N -1 0 334.445 3.700 20 0 EHADRM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)N=c1[n-]nc(C(F)F)s1 ZINC000590139993 1036790230 /nfs/dbraw/zinc/79/02/30/1036790230.db2.gz YKENEKLVFIJYHD-UWVGGRQHSA-N -1 0 332.420 3.624 20 0 EHADRM Cc1nc(C(=O)N2CCCCC[C@H]2c2ccccc2)ccc1C(=O)[O-] ZINC000263333582 1036794619 /nfs/dbraw/zinc/79/46/19/1036794619.db2.gz MVJGRVAMINYHMC-SFHVURJKSA-N -1 0 338.407 3.846 20 0 EHADRM Cc1cc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])cc(C)c1O ZINC001211913706 1036818500 /nfs/dbraw/zinc/81/85/00/1036818500.db2.gz LPVAMBQGJNAIOK-UHFFFAOYSA-N -1 0 327.789 3.653 20 0 EHADRM CCOc1ccccc1[C@H](CC(C)C)NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000263359605 1036821733 /nfs/dbraw/zinc/82/17/33/1036821733.db2.gz YAAYGOSGSJNTAP-VYDXJSESSA-N -1 0 347.455 3.790 20 0 EHADRM O=C([O-])[C@H](Cc1ccccc1)N[C@H](CCc1ccccc1)C(F)F ZINC000263376242 1036824519 /nfs/dbraw/zinc/82/45/19/1036824519.db2.gz ANPXBPHTXFTWJM-SJORKVTESA-N -1 0 333.378 3.538 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(c2ccc3ccc(Cl)c(Cl)c3n2)C1 ZINC000263395829 1036850208 /nfs/dbraw/zinc/85/02/08/1036850208.db2.gz HRTPTAOCMDKYBY-HNNXBMFYSA-N -1 0 325.195 3.843 20 0 EHADRM O=C([O-])c1cccc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000263395891 1036850409 /nfs/dbraw/zinc/85/04/09/1036850409.db2.gz GNDZIYQITRPACO-QGZVFWFLSA-N -1 0 331.799 3.612 20 0 EHADRM O=C(COc1cc(Cl)cc(Cl)c1)[N-]OCc1ccccc1 ZINC000913584063 1036874649 /nfs/dbraw/zinc/87/46/49/1036874649.db2.gz HEDQQTXFEDNZDB-UHFFFAOYSA-N -1 0 326.179 3.620 20 0 EHADRM C[C@@H](NC(=O)CCCc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)[O-] ZINC000263436266 1036910797 /nfs/dbraw/zinc/91/07/97/1036910797.db2.gz LPNREQNUITYWKX-NXEZZACHSA-N -1 0 332.227 3.542 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@H](C)Oc1cc(C)ccc1Cl ZINC000539572940 1036932120 /nfs/dbraw/zinc/93/21/20/1036932120.db2.gz PBUFFSNJNOMJSV-LBPRGKRZSA-N -1 0 341.835 3.565 20 0 EHADRM CCCOc1ccc([N-]S(=O)(=O)c2sc(C)nc2C)c(C)c1 ZINC000176459213 1036967056 /nfs/dbraw/zinc/96/70/56/1036967056.db2.gz MKTPMZLVKKEWEI-UHFFFAOYSA-N -1 0 340.470 3.658 20 0 EHADRM CN(CCC(=O)[O-])C(=O)Nc1cccc(CCCc2ccccc2)c1 ZINC000263501979 1037016246 /nfs/dbraw/zinc/01/62/46/1037016246.db2.gz UCOWTPGFDFKNKK-UHFFFAOYSA-N -1 0 340.423 3.800 20 0 EHADRM CCCc1cc(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)sc1C ZINC000103522329 1037024590 /nfs/dbraw/zinc/02/45/90/1037024590.db2.gz PGZLUKNTAIJRFX-UHFFFAOYSA-N -1 0 343.408 3.605 20 0 EHADRM O=C([O-])C1CCC(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000263526560 1037040613 /nfs/dbraw/zinc/04/06/13/1037040613.db2.gz KEISTTKIXXSCLD-CPLYBDICSA-N -1 0 341.451 3.672 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CCC[C@H]1CC1CCCCC1 ZINC000539676893 1037056684 /nfs/dbraw/zinc/05/66/84/1037056684.db2.gz PIEIWXKOBYLQOJ-KRWDZBQOSA-N -1 0 329.440 3.889 20 0 EHADRM O=C(C=C(C1CC1)C1CC1)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000054425725 1037057823 /nfs/dbraw/zinc/05/78/23/1037057823.db2.gz CDGBXYBYXRTRAK-UHFFFAOYSA-N -1 0 325.817 3.732 20 0 EHADRM CCc1cccc(CC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000263530759 1037061969 /nfs/dbraw/zinc/06/19/69/1037061969.db2.gz MGOXIUPJGGDKKK-UHFFFAOYSA-N -1 0 325.408 3.792 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N2Cc3ccccc3[C@@H]2C)s1 ZINC000542133240 1037111166 /nfs/dbraw/zinc/11/11/66/1037111166.db2.gz QOBWNBDAHHKUOL-LBPRGKRZSA-N -1 0 330.457 3.801 20 0 EHADRM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(Cl)nc1C ZINC000312505771 1037122332 /nfs/dbraw/zinc/12/23/32/1037122332.db2.gz RHVZNZQBBYYIKI-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM O=C([O-])CC[C@@H](Cc1ccccc1)Nc1ccc(OC(F)F)cn1 ZINC000263550510 1037134189 /nfs/dbraw/zinc/13/41/89/1037134189.db2.gz KLKCAOFBHNAYIH-ZDUSSCGKSA-N -1 0 336.338 3.571 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)SCc2ccccc2)c1 ZINC000539747039 1037146853 /nfs/dbraw/zinc/14/68/53/1037146853.db2.gz IGIVMHLIPWDXHG-CYBMUJFWSA-N -1 0 329.421 3.855 20 0 EHADRM O=S(=O)([N-]c1cnoc1C1CC1)c1cc(Cl)cc(Cl)c1 ZINC000414380657 1037155540 /nfs/dbraw/zinc/15/55/40/1037155540.db2.gz GYPSSXOWVIREKF-UHFFFAOYSA-N -1 0 333.196 3.660 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)NCc2cccs2)CC1 ZINC000666510762 1037164190 /nfs/dbraw/zinc/16/41/90/1037164190.db2.gz RQHKJOAKOJIOOM-UHFFFAOYSA-N -1 0 344.436 3.536 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000303186860 1037189434 /nfs/dbraw/zinc/18/94/34/1037189434.db2.gz LKCQYSPSAGNNBJ-UHFFFAOYSA-N -1 0 333.306 3.954 20 0 EHADRM O=C([O-])CCCCNC(=O)NCc1ccc(-c2ccccc2)cc1F ZINC000666548886 1037214346 /nfs/dbraw/zinc/21/43/46/1037214346.db2.gz FEDWPCHPLUCLJM-UHFFFAOYSA-N -1 0 344.386 3.547 20 0 EHADRM COCCN(CC(=O)[O-])Cc1ccc(-c2ccccc2Cl)s1 ZINC000666578612 1037229381 /nfs/dbraw/zinc/22/93/81/1037229381.db2.gz IFUDIFSBWDWJQB-UHFFFAOYSA-N -1 0 339.844 3.602 20 0 EHADRM O=C([O-])CN(C(=O)Nc1cc(Cl)cc(Cl)c1)C1CCCC1 ZINC000040537326 1037310062 /nfs/dbraw/zinc/31/00/62/1037310062.db2.gz RFNZLAYKNBMUJG-UHFFFAOYSA-N -1 0 331.199 3.855 20 0 EHADRM COc1cccc2sc(NC(=O)c3cc(F)c([O-])c(F)c3)nc21 ZINC000176990352 1037315048 /nfs/dbraw/zinc/31/50/48/1037315048.db2.gz FGOWLUFADVKANH-UHFFFAOYSA-N -1 0 336.319 3.541 20 0 EHADRM Cc1cc(NC(=O)c2cc(F)c([O-])c(F)c2)ccc1Br ZINC000177001164 1037315721 /nfs/dbraw/zinc/31/57/21/1037315721.db2.gz PNQZMQQVBYHPAJ-UHFFFAOYSA-N -1 0 342.139 3.994 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000659136515 1037346590 /nfs/dbraw/zinc/34/65/90/1037346590.db2.gz LDPSGFPGKAVJNZ-KSSFIOAISA-N -1 0 339.391 3.834 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C=Cc2cnc3ccccc3n2)c1 ZINC000493432288 1037362534 /nfs/dbraw/zinc/36/25/34/1037362534.db2.gz LZTRYJOSNVWYKB-NTMALXAHSA-N -1 0 347.374 3.580 20 0 EHADRM CSCc1cc(F)ccc1CNC(=O)c1ccc([O-])c(Cl)c1 ZINC000088466900 1037373726 /nfs/dbraw/zinc/37/37/26/1037373726.db2.gz VAETYEXXJWHWFZ-UHFFFAOYSA-N -1 0 339.819 3.978 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C2CC2)cc1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000659159178 1037384326 /nfs/dbraw/zinc/38/43/26/1037384326.db2.gz LCZKETTWVJXDFI-KUHUBIRLSA-N -1 0 337.419 3.626 20 0 EHADRM CCc1ccc(C(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)cc1 ZINC000058035979 1037386768 /nfs/dbraw/zinc/38/67/68/1037386768.db2.gz CLGOJDIMCNKFLW-UHFFFAOYSA-N -1 0 341.432 3.871 20 0 EHADRM O=C(/C=C\c1ccc(C(=O)[O-])cc1)Nc1ccc(-c2cnco2)cc1 ZINC000493483774 1037404459 /nfs/dbraw/zinc/40/44/59/1037404459.db2.gz KUNTXYVUMGKUKF-KMKOMSMNSA-N -1 0 334.331 3.692 20 0 EHADRM Cc1cccc(C)c1[C@@H]1CCCN1C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000659168288 1037410427 /nfs/dbraw/zinc/41/04/27/1037410427.db2.gz UWXBLTIDKYZJEB-ULQDDVLXSA-N -1 0 329.440 3.858 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NCc2ccc(-c3cccs3)cc2)C1 ZINC000659170294 1037411383 /nfs/dbraw/zinc/41/13/83/1037411383.db2.gz LJTJGNFMICVGMJ-JKSUJKDBSA-N -1 0 343.448 3.922 20 0 EHADRM CCCOc1cccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)c1 ZINC000659190283 1037446903 /nfs/dbraw/zinc/44/69/03/1037446903.db2.gz AEHBFDKYHNJPHI-FGTMMUONSA-N -1 0 345.439 3.581 20 0 EHADRM Cc1ccc(CCC(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)c(C)c1 ZINC000659196731 1037454264 /nfs/dbraw/zinc/45/42/64/1037454264.db2.gz XTKNQPVWXKHYSG-FHWLQOOXSA-N -1 0 343.467 3.728 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)cc1Cl ZINC000659196412 1037457175 /nfs/dbraw/zinc/45/71/75/1037457175.db2.gz VGFWLGKQHPCUCA-OFQRWUPVSA-N -1 0 335.831 3.754 20 0 EHADRM C[C@@H](CC(=O)NC[C@@H](CC(=O)[O-])C1CC1)Cc1ccc(Cl)cc1 ZINC000659208848 1037481263 /nfs/dbraw/zinc/48/12/63/1037481263.db2.gz LLXYRNPEHUABDM-IUODEOHRSA-N -1 0 337.847 3.526 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000659234573 1037547921 /nfs/dbraw/zinc/54/79/21/1037547921.db2.gz AKMHXWFBRKVQHN-NYUBLWNDSA-N -1 0 337.419 3.703 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N2CCC[C@H]2c2ccsc2)cc1 ZINC000493713152 1037572410 /nfs/dbraw/zinc/57/24/10/1037572410.db2.gz XGBSSTMUNVLKLP-SBSDFTTDSA-N -1 0 327.405 3.823 20 0 EHADRM Cc1ccc2cc(Cl)cc(C(=O)N[C@H]3CCC[C@@]3(C)C(=O)[O-])c2n1 ZINC000659244010 1037573454 /nfs/dbraw/zinc/57/34/54/1037573454.db2.gz YLBPUUIOSKLNIB-KBXCAEBGSA-N -1 0 346.814 3.570 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)CCc1c(Cl)cccc1Cl ZINC000659243916 1037574207 /nfs/dbraw/zinc/57/42/07/1037574207.db2.gz WZUXUQYMJLJQNJ-BBRMVZONSA-N -1 0 344.238 3.686 20 0 EHADRM O=S(=O)([N-]c1ccc2[nH]c(-c3ccccc3)nc2c1)c1ccco1 ZINC000491599981 1037578401 /nfs/dbraw/zinc/57/84/01/1037578401.db2.gz XJTQPJFZQJMEBI-UHFFFAOYSA-N -1 0 339.376 3.624 20 0 EHADRM CCc1c(NC(=O)c2ccc([O-])c(Cl)c2)n[nH]c1-c1ccncc1 ZINC000102896349 1037585122 /nfs/dbraw/zinc/58/51/22/1037585122.db2.gz DQUIIPQEARXILJ-UHFFFAOYSA-N -1 0 342.786 3.645 20 0 EHADRM O=S(=O)([O-])c1cccc(Nc2cccc(OCC(F)(F)F)c2)c1 ZINC001212169655 1037660551 /nfs/dbraw/zinc/66/05/51/1037660551.db2.gz NCGUGMHVKZDIAF-UHFFFAOYSA-N -1 0 347.314 3.618 20 0 EHADRM Cc1ccc(-c2[n-][nH]c(=NC(=O)C3(c4ccccc4F)CC3)c2C)o1 ZINC000573669393 1037677735 /nfs/dbraw/zinc/67/77/35/1037677735.db2.gz VCGXVDQWZGTSBI-UHFFFAOYSA-N -1 0 339.370 3.518 20 0 EHADRM CCc1cnccc1[C@@H](C)NC(=O)c1cccc(Br)c1[O-] ZINC000540198008 1037692478 /nfs/dbraw/zinc/69/24/78/1037692478.db2.gz XFRFAGZDEHQERE-SNVBAGLBSA-N -1 0 349.228 3.603 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)CCc2ccc3ccccc3c2)c1 ZINC000532597505 1037792494 /nfs/dbraw/zinc/79/24/94/1037792494.db2.gz LSQMUENGKONPFK-UHFFFAOYSA-N -1 0 349.386 3.875 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCc2c[nH]c3ccccc23)c2ccccc21 ZINC000669434851 1037844672 /nfs/dbraw/zinc/84/46/72/1037844672.db2.gz ZHWMBXRENCVMKB-QGZVFWFLSA-N -1 0 348.402 3.706 20 0 EHADRM Cc1ccc(CCCC(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000669436222 1037865415 /nfs/dbraw/zinc/86/54/15/1037865415.db2.gz FNCBWPUTEJWSOR-GOSISDBHSA-N -1 0 337.419 3.923 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)c1 ZINC000303958999 1037903107 /nfs/dbraw/zinc/90/31/07/1037903107.db2.gz MDFOFBCRSCAASN-UHFFFAOYSA-N -1 0 345.342 3.845 20 0 EHADRM COc1ccc(-c2n[n-]c(=NCc3ccc(C(F)(F)F)cc3)o2)cc1 ZINC000463249719 1037951456 /nfs/dbraw/zinc/95/14/56/1037951456.db2.gz GWKYVNPBZRANIK-UHFFFAOYSA-N -1 0 349.312 3.798 20 0 EHADRM Cc1ccccc1C(C)(C)CNC(=O)c1cc(F)c(F)c([O-])c1F ZINC000183532961 1037953437 /nfs/dbraw/zinc/95/34/37/1037953437.db2.gz JQZBZXWFUPYBOQ-UHFFFAOYSA-N -1 0 337.341 3.826 20 0 EHADRM CCC(C)(C)N(C)C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000669448780 1037979725 /nfs/dbraw/zinc/97/97/25/1037979725.db2.gz SOUOROGBYYBRLD-UHFFFAOYSA-N -1 0 332.444 3.805 20 0 EHADRM Cc1c(=O)[nH]c(SCC[C@@H]2CCCC2=O)nc1-c1ccccc1 ZINC000163898276 1038001779 /nfs/dbraw/zinc/00/17/79/1038001779.db2.gz QGDYRXKXZPZUOK-ZDUSSCGKSA-N -1 0 328.437 3.597 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)[N-]S(=O)(=O)[C@@H](C)C(F)(F)F ZINC000184264606 1038021716 /nfs/dbraw/zinc/02/17/16/1038021716.db2.gz UNIAONLGIJMTJJ-ZJUUUORDSA-N -1 0 335.347 3.672 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nccc(-c3ccccc3)n2)cc1C ZINC000463368855 1038081543 /nfs/dbraw/zinc/08/15/43/1038081543.db2.gz PUGZFZPVKPPROW-UHFFFAOYSA-N -1 0 339.420 3.561 20 0 EHADRM C[C@@]1(NC(=O)c2cc3ccc(Cl)cc3[nH]2)CCCC[C@H]1C(=O)[O-] ZINC000431857746 1038164769 /nfs/dbraw/zinc/16/47/69/1038164769.db2.gz ANGSZNQVXMCGQB-YVEFUNNKSA-N -1 0 334.803 3.585 20 0 EHADRM COc1ccc(C(=O)[O-])cc1NCc1ccc(OC(C)C)c(OC)c1 ZINC000106990192 1038275307 /nfs/dbraw/zinc/27/53/07/1038275307.db2.gz XROXXWJUWJEOTC-UHFFFAOYSA-N -1 0 345.395 3.801 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)N[C@@H](CC(=O)[O-])C1CCCCC1 ZINC000538512217 1038352639 /nfs/dbraw/zinc/35/26/39/1038352639.db2.gz HESBYXRKRIDECG-YOEHRIQHSA-N -1 0 339.476 3.654 20 0 EHADRM CN(C(=O)c1cc(F)cc(Br)c1[O-])[C@@H]1CCC(C)(C)C1 ZINC000416229086 1038382614 /nfs/dbraw/zinc/38/26/14/1038382614.db2.gz UBKZGXHJLCFJIT-SNVBAGLBSA-N -1 0 344.224 3.945 20 0 EHADRM CCCC[C@H](C)N(C)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000416233140 1038383989 /nfs/dbraw/zinc/38/39/89/1038383989.db2.gz IBLORVHFQNPXGS-VIFPVBQESA-N -1 0 332.213 3.945 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)NCCc2cccc(C(=O)[O-])c2)cc1 ZINC000538577601 1038399820 /nfs/dbraw/zinc/39/98/20/1038399820.db2.gz BRQCTRIAHDWYDR-HNNXBMFYSA-N -1 0 339.435 3.800 20 0 EHADRM CCCCc1n[n-]c(=NCc2cc(C)c(C)cc2OC(F)F)o1 ZINC000538593778 1038406737 /nfs/dbraw/zinc/40/67/37/1038406737.db2.gz JBNCWDGFICFZJB-UHFFFAOYSA-N -1 0 325.359 3.664 20 0 EHADRM CC1(C)Cc2cccc(CN=c3[n-]nc(CCc4ccccc4)o3)c2O1 ZINC000538594084 1038407260 /nfs/dbraw/zinc/40/72/60/1038407260.db2.gz TXPIZHYNSVAJGK-UHFFFAOYSA-N -1 0 349.434 3.602 20 0 EHADRM CCOc1ccccc1CN=c1[n-]nc(CCCc2ccccc2)o1 ZINC000538593342 1038423021 /nfs/dbraw/zinc/42/30/21/1038423021.db2.gz LGGXFZLOZLFKCB-UHFFFAOYSA-N -1 0 337.423 3.678 20 0 EHADRM O=C(Nc1ccc(F)cc1F)c1cccc(Br)c1[O-] ZINC000538746670 1038511234 /nfs/dbraw/zinc/51/12/34/1038511234.db2.gz RHNURXQIOZBHSQ-UHFFFAOYSA-N -1 0 328.112 3.685 20 0 EHADRM Cn1cc(/C=C\c2nc3cc(C(=O)[O-])ccc3o2)c(C(C)(C)C)n1 ZINC000416382690 1038612175 /nfs/dbraw/zinc/61/21/75/1038612175.db2.gz AZZNVHVRTAJZHK-VURMDHGXSA-N -1 0 325.368 3.727 20 0 EHADRM CCCc1nc(=NCc2cc(F)c(F)cc2Br)s[n-]1 ZINC000461875993 1038644392 /nfs/dbraw/zinc/64/43/92/1038644392.db2.gz KYPYXXBWMLTWNL-UHFFFAOYSA-N -1 0 348.216 3.565 20 0 EHADRM O=C([O-])[C@H]1CCCN(c2nc3cc(C(F)(F)F)ccc3s2)C1 ZINC000416403056 1038632410 /nfs/dbraw/zinc/63/24/10/1038632410.db2.gz QHWLKQQWPDUTMN-QMMMGPOBSA-N -1 0 330.331 3.616 20 0 EHADRM CCCc1nc(=NCc2cc(Oc3ccc(F)cc3)ccn2)s[n-]1 ZINC000461937866 1038686150 /nfs/dbraw/zinc/68/61/50/1038686150.db2.gz QZFUAPBHQKCFLB-UHFFFAOYSA-N -1 0 344.415 3.851 20 0 EHADRM O=C([O-])C1(CNC(=O)c2cc3cc(Cl)ccc3o2)CCCCC1 ZINC000431877871 1038689721 /nfs/dbraw/zinc/68/97/21/1038689721.db2.gz MRVQZQNBWKNMEF-UHFFFAOYSA-N -1 0 335.787 3.851 20 0 EHADRM CCCc1nc(=N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)s[n-]1 ZINC000461954352 1038693078 /nfs/dbraw/zinc/69/30/78/1038693078.db2.gz CYOLUNNFKOPAEV-TZMCWYRMSA-N -1 0 341.839 3.647 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cnc3onc(C)c3c2)cc1 ZINC000462105365 1038752906 /nfs/dbraw/zinc/75/29/06/1038752906.db2.gz SWXGRULMWOLNGX-NSHDSACASA-N -1 0 345.424 3.846 20 0 EHADRM CC[C@H](OCCN=c1[n-]c(C(F)(F)F)ns1)c1ccccc1 ZINC000651393267 1038764185 /nfs/dbraw/zinc/76/41/85/1038764185.db2.gz QKCQCMMBFIGFHC-NSHDSACASA-N -1 0 331.363 3.559 20 0 EHADRM Fc1cccc(F)c1-c1ccc(CN=c2[n-]nc(C3CC3)s2)o1 ZINC000554000976 1038778782 /nfs/dbraw/zinc/77/87/82/1038778782.db2.gz OORGZFZYLRATND-UHFFFAOYSA-N -1 0 333.363 3.988 20 0 EHADRM Cc1ccc2sc(C(=O)N3CC[C@H](C(=O)[O-])[C@@H]4CCC[C@@H]43)cc2c1 ZINC000910246106 1038787116 /nfs/dbraw/zinc/78/71/16/1038787116.db2.gz MUPRUMQWVKGCDP-KKUMJFAQSA-N -1 0 343.448 3.925 20 0 EHADRM CC[C@H](Cc1cn(C)c2ccccc12)NC(=O)C(C)(C)CCC(=O)[O-] ZINC000910288620 1038810027 /nfs/dbraw/zinc/81/00/27/1038810027.db2.gz YQIKHFUVKJZGJS-OAHLLOKOSA-N -1 0 344.455 3.507 20 0 EHADRM Cc1nc(N[C@H](C[C@@H]2CCOC2)c2ccccc2)ccc1C(=O)[O-] ZINC000910371375 1038869295 /nfs/dbraw/zinc/86/92/95/1038869295.db2.gz YFDSRQXRRHVORP-WMLDXEAASA-N -1 0 326.396 3.668 20 0 EHADRM Cc1nc(C2CCN(C(=O)[C@H](C)CC(C)C)CC2)sc1C(=O)[O-] ZINC000910353793 1038876384 /nfs/dbraw/zinc/87/63/84/1038876384.db2.gz HVFKGEKEDQRWHT-LLVKDONJSA-N -1 0 338.473 3.538 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCc1ccsc1)c1ccccc1Cl ZINC000910401148 1038882677 /nfs/dbraw/zinc/88/26/77/1038882677.db2.gz JSRGVDQJCFVUNT-CQSZACIVSA-N -1 0 337.828 3.666 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2cc(C)n([C@@H](C)CC)n2)cc1 ZINC000539400096 1038891272 /nfs/dbraw/zinc/89/12/72/1038891272.db2.gz WRWOOFJFSWMQOS-ZDUSSCGKSA-N -1 0 335.473 3.916 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N[C@@H](C)c3cncs3)c12 ZINC000910388969 1038893176 /nfs/dbraw/zinc/89/31/76/1038893176.db2.gz OSAHCGXUROLXCV-ZETCQYMHSA-N -1 0 334.426 3.636 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](Nc2nc(C(F)(F)F)nc3ccccc32)C1 ZINC000910396457 1038896483 /nfs/dbraw/zinc/89/64/83/1038896483.db2.gz ACDNCEXUINLKIJ-ZJUUUORDSA-N -1 0 339.317 3.704 20 0 EHADRM CCSc1ccc(CNC(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC000910408778 1038899283 /nfs/dbraw/zinc/89/92/83/1038899283.db2.gz MUBLZSKLQWGFPG-UHFFFAOYSA-N -1 0 343.448 3.746 20 0 EHADRM CC(C)c1nnc(NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])o1 ZINC000910422541 1038904229 /nfs/dbraw/zinc/90/42/29/1038904229.db2.gz PHWVSUFZIPYBDK-INIZCTEOSA-N -1 0 339.395 3.702 20 0 EHADRM O=S(=O)([N-]c1cncc(F)c1)c1ccc(Cl)c2ccccc21 ZINC000500543064 1038944088 /nfs/dbraw/zinc/94/40/88/1038944088.db2.gz BNPGTDKFWFDSDN-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM CC(C)c1ccc(CN(C)C(=O)c2nn(-c3ccccc3)cc2[O-])cc1 ZINC000552113389 1038972115 /nfs/dbraw/zinc/97/21/15/1038972115.db2.gz QWFDLVWXILGMQX-UHFFFAOYSA-N -1 0 349.434 3.974 20 0 EHADRM CCCN(Cc1ccc(C)cc1)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000552113305 1038973278 /nfs/dbraw/zinc/97/32/78/1038973278.db2.gz MSWGOOAHEOIHSG-UHFFFAOYSA-N -1 0 349.434 3.939 20 0 EHADRM CCCOc1cccc(CC(=O)N=c2ccc(-c3ccccc3)n[n-]2)c1 ZINC000432740052 1038985581 /nfs/dbraw/zinc/98/55/81/1038985581.db2.gz CSIMTHRATMCUKO-UHFFFAOYSA-N -1 0 347.418 3.536 20 0 EHADRM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cnoc1-c1ccccc1 ZINC000485384728 1039004974 /nfs/dbraw/zinc/00/49/74/1039004974.db2.gz GPVKDZJTPSHKQE-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM CCn1c(C)cc(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)c1C ZINC000910698982 1039026288 /nfs/dbraw/zinc/02/62/88/1039026288.db2.gz KPEXYGLKGKYVTP-UHFFFAOYSA-N -1 0 335.429 3.655 20 0 EHADRM O=C([O-])c1nc(NC(=O)c2cscc2C(F)F)sc1C1CC1 ZINC000910739363 1039046811 /nfs/dbraw/zinc/04/68/11/1039046811.db2.gz MDIDXHFRTIPROW-UHFFFAOYSA-N -1 0 344.364 3.970 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)/C=C/c2ccsc2)nc1C(=O)[O-] ZINC000910719332 1039056618 /nfs/dbraw/zinc/05/66/18/1039056618.db2.gz HXWDLCFAQZWMDK-ZYOFXKKJSA-N -1 0 348.449 3.588 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1cc(-c2cccs2)[nH]n1 ZINC000488299803 1039067203 /nfs/dbraw/zinc/06/72/03/1039067203.db2.gz RADOKAVVCSGFIS-UHFFFAOYSA-N -1 0 333.438 3.501 20 0 EHADRM CC(C)CCS(=O)(=O)[N-][C@@H](CCc1ccccc1)C(F)(F)F ZINC000480045684 1039074486 /nfs/dbraw/zinc/07/44/86/1039074486.db2.gz MHGQDJSPHBUORJ-AWEZNQCLSA-N -1 0 337.407 3.516 20 0 EHADRM Cc1cccc(Oc2ccccc2C(=O)NC2CC(CC(=O)[O-])C2)c1 ZINC000910806606 1039102297 /nfs/dbraw/zinc/10/22/97/1039102297.db2.gz ACOMCIDCTJQKLS-UHFFFAOYSA-N -1 0 339.391 3.770 20 0 EHADRM CC1(C)[C@H](c2ccc(Cl)cc2)CCN1C(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000910935953 1039143195 /nfs/dbraw/zinc/14/31/95/1039143195.db2.gz PCLDRSHNMJOEGZ-ILXRZTDVSA-N -1 0 335.831 3.545 20 0 EHADRM CCN(C(=O)c1sc(CC2CC2)nc1C)c1cccc(C(=O)[O-])c1 ZINC000910965456 1039162639 /nfs/dbraw/zinc/16/26/39/1039162639.db2.gz AEALJJIGRXSDJP-UHFFFAOYSA-N -1 0 344.436 3.769 20 0 EHADRM CSc1ccc(NC(=O)C2CCC(F)(F)CC2)cc1C(=O)[O-] ZINC000910947527 1039170270 /nfs/dbraw/zinc/17/02/70/1039170270.db2.gz GLQZDKXLEJFBSM-UHFFFAOYSA-N -1 0 329.368 3.871 20 0 EHADRM Cc1cccc([C@@H]([N-]S(=O)(=O)c2ccccc2C)C(F)(F)F)c1 ZINC000512448231 1039183010 /nfs/dbraw/zinc/18/30/10/1039183010.db2.gz QUCZAIUHGSHDGB-OAHLLOKOSA-N -1 0 343.370 3.885 20 0 EHADRM CCCCC[C@H](C)CC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)CC1 ZINC000911018623 1039186145 /nfs/dbraw/zinc/18/61/45/1039186145.db2.gz JSXOWCZUFZSWDB-LBPRGKRZSA-N -1 0 337.382 3.849 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)c2ccc(/C=C/C(=O)[O-])o2)c1 ZINC000911083599 1039218138 /nfs/dbraw/zinc/21/81/38/1039218138.db2.gz VTNLCLHMZQBAHR-CSKARUKUSA-N -1 0 343.379 3.945 20 0 EHADRM C[C@@]1(Cc2cccs2)CCCN1C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000911060972 1039220332 /nfs/dbraw/zinc/22/03/32/1039220332.db2.gz HCJJVYPKXCJPHA-ZOJXTTQQSA-N -1 0 349.496 3.953 20 0 EHADRM CC(C)c1cc(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)nn1C ZINC000236693837 1039240847 /nfs/dbraw/zinc/24/08/47/1039240847.db2.gz MSOFMNFSYSFPDC-UHFFFAOYSA-N -1 0 343.408 3.709 20 0 EHADRM CC(C)c1ccccc1[N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C ZINC000416940141 1039241563 /nfs/dbraw/zinc/24/15/63/1039241563.db2.gz FIBLMIBZAZWKHF-ZDUSSCGKSA-N -1 0 333.457 3.705 20 0 EHADRM Cc1cccc([C@@H]([N-]S(=O)(=O)CC2CCCC2)C(F)(F)F)c1 ZINC000512460482 1039259902 /nfs/dbraw/zinc/25/99/02/1039259902.db2.gz RXONNCLQMLBWIO-CQSZACIVSA-N -1 0 335.391 3.708 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000236839119 1039266692 /nfs/dbraw/zinc/26/66/92/1039266692.db2.gz QRYLLBUZKGHKQI-QWRGUYRKSA-N -1 0 344.238 3.857 20 0 EHADRM CCC[C@H](C(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000236996079 1039291344 /nfs/dbraw/zinc/29/13/44/1039291344.db2.gz LGXISDIUKDPIRT-KRWDZBQOSA-N -1 0 327.380 3.672 20 0 EHADRM CCc1c([N-]S(=O)(=O)c2ccccc2F)cnn1C(CC)CC ZINC000480198895 1039301805 /nfs/dbraw/zinc/30/18/05/1039301805.db2.gz JKPAXLBIDXYRQG-UHFFFAOYSA-N -1 0 339.436 3.747 20 0 EHADRM Cc1c(Cl)cc(NC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)cc1Cl ZINC000911271943 1039308656 /nfs/dbraw/zinc/30/86/56/1039308656.db2.gz SVZLOKJKBDJCRU-GXSJLCMTSA-N -1 0 346.210 3.510 20 0 EHADRM CO[C@H](C)c1nc(=N[C@H]2CC(C)(C)Oc3ccc(F)cc32)s[n-]1 ZINC000651416330 1039317150 /nfs/dbraw/zinc/31/71/50/1039317150.db2.gz CSTQURDDOWXIPK-SKDRFNHKSA-N -1 0 337.420 3.521 20 0 EHADRM C[C@@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)C1CCCC1 ZINC000911329735 1039324648 /nfs/dbraw/zinc/32/46/48/1039324648.db2.gz ZPBAMWKGOZRKLH-ZDUSSCGKSA-N -1 0 342.395 3.653 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)N2CCC[C@@H](c3ccccc3)C2)s[n-]1 ZINC000432812655 1039339625 /nfs/dbraw/zinc/33/96/25/1039339625.db2.gz RCHKTMDVPMDWJX-CQSZACIVSA-N -1 0 344.484 3.669 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)c(F)c1 ZINC000911389317 1039342694 /nfs/dbraw/zinc/34/26/94/1039342694.db2.gz HEDZGLVRWVHSDX-KOLCDFICSA-N -1 0 347.308 3.622 20 0 EHADRM O=C(N=c1[n-]nc(C2CC2)s1)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000552549674 1039365847 /nfs/dbraw/zinc/36/58/47/1039365847.db2.gz SYDAVAKDTNTQCR-CQSZACIVSA-N -1 0 346.431 3.639 20 0 EHADRM Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC000237611073 1039368949 /nfs/dbraw/zinc/36/89/49/1039368949.db2.gz VLXNGZUHIIRKPQ-OAHLLOKOSA-N -1 0 335.762 3.733 20 0 EHADRM CCN(CC1CCC1)C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000478332246 1039376879 /nfs/dbraw/zinc/37/68/79/1039376879.db2.gz YYIJYNPJLZQORH-UHFFFAOYSA-N -1 0 341.455 3.964 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)CCc1cccc(Cl)c1 ZINC000237647613 1039398686 /nfs/dbraw/zinc/39/86/86/1039398686.db2.gz UJWMGSNTKZNKIH-KRWDZBQOSA-N -1 0 345.826 3.913 20 0 EHADRM C[C@@H](CNC(=O)c1cc2cc(C(F)(F)F)ccc2s1)CC(=O)[O-] ZINC000584666374 1039418434 /nfs/dbraw/zinc/41/84/34/1039418434.db2.gz SWPWVONQNBHTFL-MRVPVSSYSA-N -1 0 345.342 3.761 20 0 EHADRM CC[C@H]1Cc2ccccc2CN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000345045738 1039443931 /nfs/dbraw/zinc/44/39/31/1039443931.db2.gz XOVSKPTYNBASSJ-LBPRGKRZSA-N -1 0 335.325 3.787 20 0 EHADRM O=C(c1nn(-c2ccccc2)cc1[O-])N(CC1CC1)C1CCCCC1 ZINC000485737882 1039488449 /nfs/dbraw/zinc/48/84/49/1039488449.db2.gz ZFKARBSVMVBQPR-UHFFFAOYSA-N -1 0 339.439 3.763 20 0 EHADRM CCC[C@@H](NC(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl)C(=O)[O-] ZINC000554603442 1039513859 /nfs/dbraw/zinc/51/38/59/1039513859.db2.gz YVRDOHUYIACZKO-VXGBXAGGSA-N -1 0 345.226 3.533 20 0 EHADRM Cc1csc(C(=O)Nc2ccc(F)cc2O)c1Br ZINC000489046699 1039586076 /nfs/dbraw/zinc/58/60/76/1039586076.db2.gz VRZCSLDZFRHJRS-UHFFFAOYSA-N -1 0 330.178 3.916 20 0 EHADRM COC(C)(C)CC(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000279946514 1039615805 /nfs/dbraw/zinc/61/58/05/1039615805.db2.gz RVPMGBRROSXEQE-UHFFFAOYSA-N -1 0 336.613 3.562 20 0 EHADRM COc1c(NC(=O)c2ccc(COC(C)C)cc2)cccc1C(=O)[O-] ZINC000906504001 1039620931 /nfs/dbraw/zinc/62/09/31/1039620931.db2.gz ZCDIHPRFIXXECD-UHFFFAOYSA-N -1 0 343.379 3.571 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CC2(CCC2)[C@H]1c1cccnc1 ZINC000912039817 1039641698 /nfs/dbraw/zinc/64/16/98/1039641698.db2.gz GBQBBNFCPSDCIW-MRXNPFEDSA-N -1 0 328.799 3.808 20 0 EHADRM CCCC[C@H](Sc1nc(-c2ccccn2)nc(C)c1C)C(=O)[O-] ZINC000584732607 1039645864 /nfs/dbraw/zinc/64/58/64/1039645864.db2.gz QJCVDRQRSQVXMK-AWEZNQCLSA-N -1 0 331.441 3.891 20 0 EHADRM COc1ccc(NC(=O)[C@@H](C)SCc2ccccc2)c(C(=O)[O-])c1 ZINC000554731468 1039666128 /nfs/dbraw/zinc/66/61/28/1039666128.db2.gz DJVGSCWSEASDDU-GFCCVEGCSA-N -1 0 345.420 3.654 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000912107075 1039689920 /nfs/dbraw/zinc/68/99/20/1039689920.db2.gz GDMAAWNVAZSQHJ-SJORKVTESA-N -1 0 345.826 3.774 20 0 EHADRM COc1cccc([C@H](C)C(=O)N=c2cc(-c3ccc(C)s3)[nH][nH]2)c1 ZINC000500862348 1039701086 /nfs/dbraw/zinc/70/10/86/1039701086.db2.gz VVACUDFNEMSOHZ-LBPRGKRZSA-N -1 0 341.436 3.619 20 0 EHADRM Cc1cc(O[C@@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2)ccc1Cl ZINC000040867791 1039708132 /nfs/dbraw/zinc/70/81/32/1039708132.db2.gz RBFULYUYXSAATD-NSHDSACASA-N -1 0 333.771 3.753 20 0 EHADRM c1cc(CN=c2nc(C3CCCC3)[n-]s2)cc(N2CCCCC2)n1 ZINC000584773586 1039778610 /nfs/dbraw/zinc/77/86/10/1039778610.db2.gz VYWJOWZYFFEWAD-UHFFFAOYSA-N -1 0 343.500 3.615 20 0 EHADRM CC(C)N(C)c1ccc(/C=C/c2nc3ccc(C(=O)[O-])cc3o2)cn1 ZINC000486099450 1039875734 /nfs/dbraw/zinc/87/57/34/1039875734.db2.gz BVJATEAMUPPEAU-WEVVVXLNSA-N -1 0 337.379 3.936 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cc3c[nH]nc3cc2C)c1Cl ZINC000479113093 1039960969 /nfs/dbraw/zinc/96/09/69/1039960969.db2.gz BXZYNQMTGACFKI-UHFFFAOYSA-N -1 0 335.816 3.634 20 0 EHADRM CC(C)c1n[n-]c(=N[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)s1 ZINC000480778483 1040001288 /nfs/dbraw/zinc/00/12/88/1040001288.db2.gz YKNUTDHJVGIVDT-NWDGAFQWSA-N -1 0 325.384 3.653 20 0 EHADRM CCc1nc(CN[C@@H](C(=O)[O-])c2c(Cl)cccc2Cl)cs1 ZINC000417570661 1040006612 /nfs/dbraw/zinc/00/66/12/1040006612.db2.gz WMYGXCCFTXMJBA-CYBMUJFWSA-N -1 0 345.251 3.928 20 0 EHADRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNc1nccs1 ZINC000894051352 1040013347 /nfs/dbraw/zinc/01/33/47/1040013347.db2.gz HDEIBFQLFDOFCK-OAHLLOKOSA-N -1 0 342.468 3.678 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NCc1ccc([S@@](C)=O)cc1 ZINC000417566524 1040017327 /nfs/dbraw/zinc/01/73/27/1040017327.db2.gz MOVKEMCNXDWPPX-XMMPIXPASA-N -1 0 347.436 3.522 20 0 EHADRM CC[C@@H](Cc1ccc(NCc2c(OC)cccc2OC)cc1)C(=O)[O-] ZINC000417609406 1040062279 /nfs/dbraw/zinc/06/22/79/1040062279.db2.gz KVFRSMVSKGVCGL-HNNXBMFYSA-N -1 0 343.423 3.969 20 0 EHADRM CC[C@H](Cc1ccc(NCc2c(C)nn(CC)c2C)cc1)C(=O)[O-] ZINC000417615893 1040086237 /nfs/dbraw/zinc/08/62/37/1040086237.db2.gz YEYKJFVMDPSGLJ-MRXNPFEDSA-N -1 0 329.444 3.785 20 0 EHADRM COCCOc1ccc(-c2ccc(SCCC(=O)[O-])cc2)cc1 ZINC000584849033 1040086471 /nfs/dbraw/zinc/08/64/71/1040086471.db2.gz FNZWPVMVLAMSKL-UHFFFAOYSA-N -1 0 332.421 3.946 20 0 EHADRM CC(C)(C)c1nc(CN[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cs1 ZINC000417630790 1040088259 /nfs/dbraw/zinc/08/82/59/1040088259.db2.gz RLZWSPGZLNJLIG-GJZGRUSLSA-N -1 0 330.453 3.843 20 0 EHADRM Cc1nc([C@H](C)NC(=O)C(C)(C)CC(C)(C)C)sc1C(=O)[O-] ZINC000907626731 1040109509 /nfs/dbraw/zinc/10/95/09/1040109509.db2.gz DPHHGXHATSDHKA-JTQLQIEISA-N -1 0 326.462 3.789 20 0 EHADRM O=C([O-])C1(CNC(=O)c2cc(C3CC3)oc2C2CC2)CCCCC1 ZINC000907633396 1040110603 /nfs/dbraw/zinc/11/06/03/1040110603.db2.gz CCFRWSQSURBZBM-UHFFFAOYSA-N -1 0 331.412 3.799 20 0 EHADRM CSc1cccc(N(C)C(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c1 ZINC000907611783 1040115554 /nfs/dbraw/zinc/11/55/54/1040115554.db2.gz JKXYUKXKQYRYMS-APWZRJJASA-N -1 0 341.432 3.630 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1ccnc(-c2ccccc2)c1 ZINC000479313350 1040127923 /nfs/dbraw/zinc/12/79/23/1040127923.db2.gz NACCYIYXBNPQLZ-UHFFFAOYSA-N -1 0 340.404 3.558 20 0 EHADRM CCCc1ccccc1C(=O)Nc1ccn([C@H](CCC)C(=O)[O-])n1 ZINC000907705438 1040135443 /nfs/dbraw/zinc/13/54/43/1040135443.db2.gz XSJMMOMYJLCJSP-OAHLLOKOSA-N -1 0 329.400 3.514 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc(F)cc3ccoc32)[C@H]2CCCC[C@H]12 ZINC000907704477 1040136650 /nfs/dbraw/zinc/13/66/50/1040136650.db2.gz OUXFDBAPGNYGGW-FMKPAKJESA-N -1 0 345.370 3.677 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc(F)cc3ccoc32)[C@@H]2CCCC[C@@H]12 ZINC000907704484 1040136763 /nfs/dbraw/zinc/13/67/63/1040136763.db2.gz OUXFDBAPGNYGGW-SQWLQELKSA-N -1 0 345.370 3.677 20 0 EHADRM COc1ccccc1-c1cccc(NC(=O)N(C)CCCC(=O)[O-])c1 ZINC000417754542 1040215664 /nfs/dbraw/zinc/21/56/64/1040215664.db2.gz PSCDEFNEDDPMHK-UHFFFAOYSA-N -1 0 342.395 3.691 20 0 EHADRM CC(C)Oc1ccc(Cl)cc1NC(=O)NC(C)(C)CCC(=O)[O-] ZINC000417767103 1040224189 /nfs/dbraw/zinc/22/41/89/1040224189.db2.gz AYUOPQCVRIFEBM-UHFFFAOYSA-N -1 0 342.823 3.892 20 0 EHADRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)C3(c4cccs4)CCCCC3)[C@@H]2C1 ZINC000907936585 1040237055 /nfs/dbraw/zinc/23/70/55/1040237055.db2.gz SBPIWVNMOKDGCE-BARDWOONSA-N -1 0 347.480 3.566 20 0 EHADRM CCC[C@H](C(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@H]12)c1cccc(Cl)c1 ZINC000907954423 1040244277 /nfs/dbraw/zinc/24/42/77/1040244277.db2.gz YKGCLXOAVXTJDH-XPYWIHLFSA-N -1 0 349.858 3.839 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N[C@H](CC(=O)[O-])C(C)(C)C ZINC000908019300 1040266185 /nfs/dbraw/zinc/26/61/85/1040266185.db2.gz VRDAQZVSZNGWKU-CQSZACIVSA-N -1 0 349.452 3.915 20 0 EHADRM CN(C(=O)C1(c2cccc(Cl)c2)CC1)c1cccc(CC(=O)[O-])c1 ZINC000908079707 1040290775 /nfs/dbraw/zinc/29/07/75/1040290775.db2.gz YYVQFESSWLXUQR-UHFFFAOYSA-N -1 0 343.810 3.662 20 0 EHADRM CCCC[C@H](C(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1)C(C)C ZINC000908172749 1040317097 /nfs/dbraw/zinc/31/70/97/1040317097.db2.gz HHIYTGGSTVHIMQ-DIODGJHASA-N -1 0 341.517 3.694 20 0 EHADRM Cc1ccc(S[C@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000479529179 1040331041 /nfs/dbraw/zinc/33/10/41/1040331041.db2.gz PYFZVHXMOZNPFZ-LLVKDONJSA-N -1 0 333.384 3.952 20 0 EHADRM CC(C)(C)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2F)c1O ZINC000479549320 1040361130 /nfs/dbraw/zinc/36/11/30/1040361130.db2.gz ZBQMFKNSJNUTSA-UHFFFAOYSA-N -1 0 341.379 3.769 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)C2CC(c3ccc(F)cc3)C2)CCC1 ZINC000908332774 1040396444 /nfs/dbraw/zinc/39/64/44/1040396444.db2.gz IWQVMUJQBGNWED-UHFFFAOYSA-N -1 0 347.430 3.861 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)Cc2cccc(C(F)F)c2)CCC1 ZINC000908335394 1040396819 /nfs/dbraw/zinc/39/68/19/1040396819.db2.gz XXOIPLVKTNMKDA-UHFFFAOYSA-N -1 0 339.382 3.708 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)CCC1 ZINC000908339222 1040399470 /nfs/dbraw/zinc/39/94/70/1040399470.db2.gz ZFOMFZIUFIYXPI-IAGOWNOFSA-N -1 0 347.430 3.861 20 0 EHADRM Fc1ccc(Cc2n[n-]c(=NCc3cc(F)cc(Cl)c3)o2)cc1 ZINC000486753204 1040406413 /nfs/dbraw/zinc/40/64/13/1040406413.db2.gz VYLDGCGFGOYJIR-UHFFFAOYSA-N -1 0 335.741 3.626 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)c2ccc(Cl)cc2F)CCC1 ZINC000908353872 1040407483 /nfs/dbraw/zinc/40/74/83/1040407483.db2.gz HXKITAFXGSTMLM-UHFFFAOYSA-N -1 0 327.783 3.634 20 0 EHADRM Cc1cc(C)cc(C2CCN(C(=O)[C@@H]3CC[C@H](C(=O)[O-])C3)CC2)c1 ZINC000908355790 1040408976 /nfs/dbraw/zinc/40/89/76/1040408976.db2.gz SZXBMPSEXTYKEH-SJORKVTESA-N -1 0 329.440 3.510 20 0 EHADRM COc1ccc2sc(C(=O)N[C@@H]3CC[C@H](CC(=O)[O-])C3)c(C)c2c1 ZINC000908366668 1040415992 /nfs/dbraw/zinc/41/59/92/1040415992.db2.gz GYIIENPKZDNZKP-NWDGAFQWSA-N -1 0 347.436 3.592 20 0 EHADRM Cc1c2occ(CC(=O)N[C@@H]3CC[C@H](CC(=O)[O-])C3)c2ccc1Cl ZINC000908378149 1040423266 /nfs/dbraw/zinc/42/32/66/1040423266.db2.gz AVMKKQLOQKEQOY-WCQYABFASA-N -1 0 349.814 3.697 20 0 EHADRM CCC[C@]1(C(=O)[O-])CCCN1C(=O)Nc1cccc(COC(C)C)c1 ZINC000908618604 1040548456 /nfs/dbraw/zinc/54/84/56/1040548456.db2.gz OUJSSZGYBDRTHO-LJQANCHMSA-N -1 0 348.443 3.863 20 0 EHADRM CCC(C)(C)c1ccc(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000908654335 1040558866 /nfs/dbraw/zinc/55/88/66/1040558866.db2.gz ZSDMIEOTLKTZMQ-MRXNPFEDSA-N -1 0 329.440 3.701 20 0 EHADRM CCc1cccnc1NC(=O)N(CC(=O)[O-])[C@@H](CC)c1ccccc1 ZINC000908670398 1040568944 /nfs/dbraw/zinc/56/89/44/1040568944.db2.gz ZFTFPUHFOXUXPH-INIZCTEOSA-N -1 0 341.411 3.714 20 0 EHADRM CCC[C@@H]1CCCN(C(=O)N=c2[n-]nc(/C=C\c3ccco3)s2)C1 ZINC000486947266 1040576732 /nfs/dbraw/zinc/57/67/32/1040576732.db2.gz VZZHZZYKVQGDFZ-LJTDUEICSA-N -1 0 346.456 3.767 20 0 EHADRM CCc1nc2cc(NC(=O)C34CCC(C(=O)[O-])(CC3)CC4)ccc2o1 ZINC000908725597 1040604111 /nfs/dbraw/zinc/60/41/11/1040604111.db2.gz YKLWLQWMJHADMF-UHFFFAOYSA-N -1 0 342.395 3.754 20 0 EHADRM CC(C)Oc1ccc([C@H](C)NC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1 ZINC000908755737 1040636329 /nfs/dbraw/zinc/63/63/29/1040636329.db2.gz ZFNPWBAAQAIRKG-JAGHRAMZSA-N -1 0 345.439 3.686 20 0 EHADRM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000913358338 1040756251 /nfs/dbraw/zinc/75/62/51/1040756251.db2.gz ZWIYLFXAKKESJL-KGLIPLIRSA-N -1 0 347.422 3.795 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CCC1=O ZINC000909118832 1040813677 /nfs/dbraw/zinc/81/36/77/1040813677.db2.gz FDDDUZSLUWLHKK-ZJUUUORDSA-N -1 0 331.393 3.543 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)Nc1cc(F)cc(F)c1 ZINC000324202877 1040831971 /nfs/dbraw/zinc/83/19/71/1040831971.db2.gz WEFAAPQUPDZUIK-CQSZACIVSA-N -1 0 326.343 3.510 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)cc1 ZINC000481398544 1040849337 /nfs/dbraw/zinc/84/93/37/1040849337.db2.gz FRVBUPUUOXLBQF-UHFFFAOYSA-N -1 0 328.393 3.705 20 0 EHADRM O=C([O-])C(F)(F)c1cccc(-c2ccccc2OC[C@@H]2CCOC2)c1 ZINC000899634838 1040886844 /nfs/dbraw/zinc/88/68/44/1040886844.db2.gz XUDAYFJCHSKTQA-CYBMUJFWSA-N -1 0 348.345 3.945 20 0 EHADRM C/C(=C\C(C)(C)C)C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000909266282 1040905781 /nfs/dbraw/zinc/90/57/81/1040905781.db2.gz DUIUJLCDUXJACT-WYMLVPIESA-N -1 0 333.428 3.539 20 0 EHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)C[C@H](C)c1c[nH]c2ccccc21 ZINC000909683078 1040929099 /nfs/dbraw/zinc/92/90/99/1040929099.db2.gz KTGFXVCWLXNXKR-ORAYPTAESA-N -1 0 330.428 3.667 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)C[C@H](C)c2c[nH]c3ccccc32)C1 ZINC000909699295 1040942919 /nfs/dbraw/zinc/94/29/19/1040942919.db2.gz FRWLMIXVSSFIOG-XOBRGWDASA-N -1 0 342.439 3.621 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2CCCc3c(O)cccc32)c1 ZINC000909832414 1041028288 /nfs/dbraw/zinc/02/82/88/1041028288.db2.gz SUODUVTZGGCVQK-SJKOYZFVSA-N -1 0 339.391 3.639 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cnn(CC3CCCC3)c2)cc1 ZINC000909832535 1041028884 /nfs/dbraw/zinc/02/88/84/1041028884.db2.gz GGVBCTRBMVQAMF-CYBMUJFWSA-N -1 0 341.411 3.514 20 0 EHADRM COc1ccc2c(c1)[C@H](C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1)CC2 ZINC000909834659 1041032123 /nfs/dbraw/zinc/03/21/23/1041032123.db2.gz MTUHCBKAVWSYIZ-YVEFUNNKSA-N -1 0 339.391 3.552 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cn(C)nc2C2CCCC2)cc1 ZINC000909834588 1041032728 /nfs/dbraw/zinc/03/27/28/1041032728.db2.gz ZGNMFSSNNICIIB-LBPRGKRZSA-N -1 0 341.411 3.518 20 0 EHADRM CN(CC(C)(C)C)C(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1 ZINC000481540438 1041035801 /nfs/dbraw/zinc/03/58/01/1041035801.db2.gz KJIAAFODALXUCN-UHFFFAOYSA-N -1 0 338.864 3.790 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3CCC[C@@H](c4ccccc4)C3)(CC1)CC2 ZINC000909924176 1041062602 /nfs/dbraw/zinc/06/26/02/1041062602.db2.gz YNAYSBFJXJPNMX-MDMXATFFSA-N -1 0 341.451 3.818 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000899762028 1041088397 /nfs/dbraw/zinc/08/83/97/1041088397.db2.gz MLSNOHOCRJTCSJ-QAPCUYQASA-N -1 0 329.396 3.622 20 0 EHADRM CCC[C@H](NC(=O)C[C@H](C(=O)[O-])c1ccc(C)cc1)c1ccccn1 ZINC000899765256 1041092769 /nfs/dbraw/zinc/09/27/69/1041092769.db2.gz CBKWHVQGQLLJQY-WMZOPIPTSA-N -1 0 340.423 3.606 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2c(C)oc3ccccc32)n1 ZINC000909955365 1041094912 /nfs/dbraw/zinc/09/49/12/1041094912.db2.gz SAADKEFPXSHOBL-ZDUSSCGKSA-N -1 0 341.367 3.616 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1cccc(COCC2CC2)c1 ZINC000899766339 1041095703 /nfs/dbraw/zinc/09/57/03/1041095703.db2.gz KTNJYFSXWWYGRY-MRXNPFEDSA-N -1 0 333.428 3.689 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)C[C@@H](C(=O)[O-])c2ccc(C)cc2)s1 ZINC000899765421 1041096243 /nfs/dbraw/zinc/09/62/43/1041096243.db2.gz PTONYZWBBVEQMA-DZGCQCFKSA-N -1 0 331.437 3.801 20 0 EHADRM Cc1ccc(Br)c(NC(=O)[C@@H](CC(=O)[O-])CC(C)C)c1 ZINC000899775168 1041112156 /nfs/dbraw/zinc/11/21/56/1041112156.db2.gz JNLYSUAWHBSCDR-LLVKDONJSA-N -1 0 342.233 3.833 20 0 EHADRM C[C@H](c1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1)C(F)(F)F ZINC000909988665 1041122440 /nfs/dbraw/zinc/12/24/40/1041122440.db2.gz VEKXJMCYKNHVOE-GYSYKLTISA-N -1 0 343.345 3.535 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)[C@@H](c1cccnc1)C1CCCCC1 ZINC000909998553 1041133507 /nfs/dbraw/zinc/13/35/07/1041133507.db2.gz GWGIPFRNGUYAJF-HLIPFELVSA-N -1 0 344.455 3.505 20 0 EHADRM COc1cccc(NC(=O)C[C@H](C(=O)[O-])c2ccc(C)cc2)c1C ZINC000899794756 1041145920 /nfs/dbraw/zinc/14/59/20/1041145920.db2.gz NYESCHXBTDKUEF-HNNXBMFYSA-N -1 0 327.380 3.509 20 0 EHADRM Cc1ccc([C@H](CC(=O)NC2CC(c3ccccc3)C2)C(=O)[O-])cc1 ZINC000899806915 1041151332 /nfs/dbraw/zinc/15/13/32/1041151332.db2.gz QCCSDYHFKOPUJH-ACBHZAAOSA-N -1 0 337.419 3.616 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1ccccc1NCC(F)(F)F ZINC000899815089 1041162400 /nfs/dbraw/zinc/16/24/00/1041162400.db2.gz XWDJYPXRJBAMNI-NSHDSACASA-N -1 0 346.349 3.736 20 0 EHADRM C[C@H](c1ccc(C(=O)N(CC(=O)[O-])C2CCCC2)cc1)C(F)(F)F ZINC000910061927 1041170271 /nfs/dbraw/zinc/17/02/71/1041170271.db2.gz STOIRIYVWBTWFM-LLVKDONJSA-N -1 0 343.345 3.822 20 0 EHADRM CCCN(Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)CC(F)F ZINC000571096695 1041181732 /nfs/dbraw/zinc/18/17/32/1041181732.db2.gz HLFNITBOZGGJHX-UHFFFAOYSA-N -1 0 340.395 3.985 20 0 EHADRM Cc1ccc([C@@H](CC(=O)NC2(C)CCC(F)(F)CC2)C(=O)[O-])cc1 ZINC000899828368 1041186629 /nfs/dbraw/zinc/18/66/29/1041186629.db2.gz RPEIEEQWVMMKQJ-CQSZACIVSA-N -1 0 339.382 3.638 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N2CC3CC2(c2ccccc2)C3)C(=O)[O-])cc1 ZINC000899828958 1041187754 /nfs/dbraw/zinc/18/77/54/1041187754.db2.gz VIAVAWXMCKHSHD-COFLGROHSA-N -1 0 349.430 3.701 20 0 EHADRM O=C([O-])c1csc([C@H]2CCCN2C(=O)c2ccc(C3CC3)cc2)n1 ZINC000910100158 1041190396 /nfs/dbraw/zinc/19/03/96/1041190396.db2.gz BXVQIVWXEIXKTO-OAHLLOKOSA-N -1 0 342.420 3.696 20 0 EHADRM CC[C@@H](CC(=O)N1CCC[C@H]1c1nc(C(=O)[O-])cs1)C(C)(C)C ZINC000910104713 1041192631 /nfs/dbraw/zinc/19/26/31/1041192631.db2.gz SZGDZLXDRDYCOI-AAEUAGOBSA-N -1 0 338.473 3.967 20 0 EHADRM O=C([O-])[C@]1(Cc2ccccc2)CCCN1C(=O)c1coc(C(F)F)c1 ZINC000910108840 1041194665 /nfs/dbraw/zinc/19/46/65/1041194665.db2.gz UBXJZVOEDTXRSK-GOSISDBHSA-N -1 0 349.333 3.519 20 0 EHADRM CCC[C@]1(C(=O)[O-])CCCN1C(=O)c1cnn(C2CCCCC2)c1C ZINC000910113845 1041196540 /nfs/dbraw/zinc/19/65/40/1041196540.db2.gz GGIOIWAUFAVWKN-LJQANCHMSA-N -1 0 347.459 3.556 20 0 EHADRM C/C=C/C[C@@H](NC(=O)Nc1cccc(-c2nc(C)cs2)c1)C(=O)[O-] ZINC000555851602 1041242466 /nfs/dbraw/zinc/24/24/66/1041242466.db2.gz IFQLTKFIVIFXNM-RDFMZFSFSA-N -1 0 345.424 3.659 20 0 EHADRM CC(C)c1noc(=NCc2ccc(Br)cc2Cl)[n-]1 ZINC000605691821 1041252928 /nfs/dbraw/zinc/25/29/28/1041252928.db2.gz RNGSYGNKJQGAPZ-UHFFFAOYSA-N -1 0 330.613 3.643 20 0 EHADRM CC(F)(F)c1cccc(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])c1 ZINC000571401729 1041286302 /nfs/dbraw/zinc/28/63/02/1041286302.db2.gz YYTSNZCYMJOBOD-LEWSCRJBSA-N -1 0 338.354 3.515 20 0 EHADRM C[C@H](CC(=O)Nc1cc(Cl)c([O-])c(Cl)c1)c1cnn(C)c1 ZINC000412218958 1041320968 /nfs/dbraw/zinc/32/09/68/1041320968.db2.gz AMPDOPZGBHEGDD-MRVPVSSYSA-N -1 0 328.199 3.565 20 0 EHADRM COc1c(F)ccc(F)c1C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000431978953 1041383693 /nfs/dbraw/zinc/38/36/93/1041383693.db2.gz BECVGJPLRJQQMM-UHFFFAOYSA-N -1 0 335.306 3.541 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)Nc2ccc(-c3nccs3)cc2)CC1 ZINC000647690514 1041436827 /nfs/dbraw/zinc/43/68/27/1041436827.db2.gz PGMKIJOOKWNEBV-UHFFFAOYSA-N -1 0 345.424 3.529 20 0 EHADRM CCOc1ncc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1Cl ZINC000431988879 1041450435 /nfs/dbraw/zinc/45/04/35/1041450435.db2.gz ZQKKRAVILDHSAI-UHFFFAOYSA-N -1 0 348.786 3.701 20 0 EHADRM CCO[C@H](CC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1)C1=CCCC1 ZINC000432004084 1041462221 /nfs/dbraw/zinc/46/22/21/1041462221.db2.gz XBRGQOQTYDRUNR-KBXCAEBGSA-N -1 0 345.439 3.794 20 0 EHADRM CC[C@H](C)n1ncc(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)c1C1CC1 ZINC000652089308 1041555844 /nfs/dbraw/zinc/55/58/44/1041555844.db2.gz ZNGTZASAGLNIBS-KBPBESRZSA-N -1 0 349.475 3.598 20 0 EHADRM C[C@@]1(NC(=O)Cc2ccc(Cl)cc2Cl)CCCC[C@@H]1C(=O)[O-] ZINC000432104492 1041594546 /nfs/dbraw/zinc/59/45/46/1041594546.db2.gz AFQBNFMLZIKNTN-MLGOLLRUSA-N -1 0 344.238 3.686 20 0 EHADRM C[C@@]1(NC(=O)Cc2c(Cl)cccc2Cl)CCCC[C@H]1C(=O)[O-] ZINC000432122693 1041618926 /nfs/dbraw/zinc/61/89/26/1041618926.db2.gz OORSXFHVBLXYSD-MEDUHNTESA-N -1 0 344.238 3.686 20 0 EHADRM CC(C)c1cc(C(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])nn1C(C)(C)C ZINC000432130980 1041626744 /nfs/dbraw/zinc/62/67/44/1041626744.db2.gz UTUVFUMPRULXKL-BFUOFWGJSA-N -1 0 349.475 3.525 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000299833754 1041629163 /nfs/dbraw/zinc/62/91/63/1041629163.db2.gz IMNFWVPWGLVOKS-UHFFFAOYSA-N -1 0 337.379 3.813 20 0 EHADRM Cc1ccc2nc(C)c(C(=O)N[C@]3(C)CCCC[C@@H]3C(=O)[O-])cc2c1 ZINC000432132250 1041631533 /nfs/dbraw/zinc/63/15/33/1041631533.db2.gz ANSCSFDFIXSEMX-OXQOHEQNSA-N -1 0 340.423 3.615 20 0 EHADRM Cc1noc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c1C ZINC000194609281 1041638324 /nfs/dbraw/zinc/63/83/24/1041638324.db2.gz SFTCIDGRMLLJLD-UHFFFAOYSA-N -1 0 335.212 3.540 20 0 EHADRM CO[C@H](C)c1nc(=NCC[C@@H](c2ccccc2)C(F)(F)F)s[n-]1 ZINC000432162501 1041674827 /nfs/dbraw/zinc/67/48/27/1041674827.db2.gz NLEDBAJWTTXXEO-PWSUYJOCSA-N -1 0 345.390 3.816 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647693842 1041702186 /nfs/dbraw/zinc/70/21/86/1041702186.db2.gz OSAXKFXVEKHIFA-CMPLNLGQSA-N -1 0 340.807 3.504 20 0 EHADRM Cc1c(NC(=O)N2CCC(C)(C(=O)[O-])CC2)cccc1C(F)(F)F ZINC000647697379 1041760456 /nfs/dbraw/zinc/76/04/56/1041760456.db2.gz FRJJTTIAHIOGLW-UHFFFAOYSA-N -1 0 344.333 3.732 20 0 EHADRM CO[C@@H](CC(=O)Nc1cc(Cl)c([O-])c(Cl)c1)C(F)(F)F ZINC000651620740 1041800902 /nfs/dbraw/zinc/80/09/02/1041800902.db2.gz QKFMODJJLMUHAV-QMMMGPOBSA-N -1 0 332.105 3.605 20 0 EHADRM Cc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2C)c(C)n1C(C)C ZINC000236709795 1041810210 /nfs/dbraw/zinc/81/02/10/1041810210.db2.gz VHSJFVVJLVZUDA-GOSISDBHSA-N -1 0 342.439 3.940 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1c1ccc2cccc(Br)c2n1 ZINC000662892580 1042199038 /nfs/dbraw/zinc/19/90/38/1042199038.db2.gz FJALGVFLOTULPZ-JQWIXIFHSA-N -1 0 349.228 3.687 20 0 EHADRM C[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1ccc(F)c(F)c1 ZINC000184187129 1042209726 /nfs/dbraw/zinc/20/97/26/1042209726.db2.gz QMXBHHSNEFSKCD-ZETCQYMHSA-N -1 0 329.705 3.954 20 0 EHADRM O=C(N[C@H](c1ccccc1)C1(CO)CCC1)c1ccc(Cl)c([O-])c1 ZINC001143515837 1042216111 /nfs/dbraw/zinc/21/61/11/1042216111.db2.gz AXXNQSLNXVHALU-QGZVFWFLSA-N -1 0 345.826 3.679 20 0 EHADRM C[C@H](NC(=O)C1(C(=O)[O-])CCCCCC1)c1cccc(F)c1F ZINC000663049609 1042395651 /nfs/dbraw/zinc/39/56/51/1042395651.db2.gz GOVZVCPOBGFAQR-NSHDSACASA-N -1 0 325.355 3.567 20 0 EHADRM CCc1nc(=O)c2sc(-c3ccc(Br)cc3)cc2[n-]1 ZINC000048603467 1042397015 /nfs/dbraw/zinc/39/70/15/1042397015.db2.gz UELAKJBFULLNFQ-UHFFFAOYSA-N -1 0 335.226 3.977 20 0 EHADRM CC(C)Oc1cccc(CC(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC000236758933 1042407330 /nfs/dbraw/zinc/40/73/30/1042407330.db2.gz SJXQBZZEUUZSAW-DHZHZOJOSA-N -1 0 339.391 3.753 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C([O-])=C(C#N)C(=O)NC1CCCCC1 ZINC000147064075 1042409860 /nfs/dbraw/zinc/40/98/60/1042409860.db2.gz CVCMAVFJCFTQKC-ZDUSSCGKSA-N -1 0 347.484 3.520 20 0 EHADRM Cc1cccc(OCCN(C)C(=O)c2cc(F)c([O-])c(Cl)c2)c1 ZINC000184286315 1042413508 /nfs/dbraw/zinc/41/35/08/1042413508.db2.gz AXTGPUOWMFGOFK-UHFFFAOYSA-N -1 0 337.778 3.644 20 0 EHADRM COc1ccccc1-c1cccc(NC(=O)[C@]2(C(=O)[O-])CC2(C)C)c1 ZINC000663080031 1042426946 /nfs/dbraw/zinc/42/69/46/1042426946.db2.gz NWEUTSCETNGGPQ-FQEVSTJZSA-N -1 0 339.391 3.802 20 0 EHADRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(CSC)cc1 ZINC000125605608 1042427703 /nfs/dbraw/zinc/42/77/03/1042427703.db2.gz ZTQVJPUNPMJTEH-INIZCTEOSA-N -1 0 332.469 3.569 20 0 EHADRM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)Cc1ccc(Br)s1 ZINC000652378379 1042435539 /nfs/dbraw/zinc/43/55/39/1042435539.db2.gz IODPQWKYSMYAIR-QMMMGPOBSA-N -1 0 344.230 3.995 20 0 EHADRM O=C([O-])[C@@H](c1ccc(F)cc1)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000652434952 1042474855 /nfs/dbraw/zinc/47/48/55/1042474855.db2.gz ILCHIEQMRLQEJP-RHSMWYFYSA-N -1 0 349.789 3.758 20 0 EHADRM O=C([O-])c1ccccc1CN1CCO[C@H](c2c(F)cccc2Cl)C1 ZINC000652436557 1042478712 /nfs/dbraw/zinc/47/87/12/1042478712.db2.gz OIBMILDIOKFNQP-INIZCTEOSA-N -1 0 349.789 3.751 20 0 EHADRM Cc1c(C(=O)NC[C@H](C(=O)[O-])C2CCC2)sc2cccc(F)c12 ZINC000663146626 1042491973 /nfs/dbraw/zinc/49/19/73/1042491973.db2.gz HIRWTDBMAPQDOL-NSHDSACASA-N -1 0 335.400 3.580 20 0 EHADRM COc1ccc(-c2nc(CN(CC(=O)[O-])C3CCCCC3)co2)cc1 ZINC000652482558 1042499385 /nfs/dbraw/zinc/49/93/85/1042499385.db2.gz IKUVLEYVPOPGEE-UHFFFAOYSA-N -1 0 344.411 3.570 20 0 EHADRM CC(C)C[C@H](CNc1cc(-c2nc(C(C)C)no2)ccn1)CC(=O)[O-] ZINC000652535397 1042524586 /nfs/dbraw/zinc/52/45/86/1042524586.db2.gz JKUUOYXBFXPRJB-ZDUSSCGKSA-N -1 0 346.431 3.804 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000184439763 1042544871 /nfs/dbraw/zinc/54/48/71/1042544871.db2.gz TWELJYDQMXHRBD-ZDUSSCGKSA-N -1 0 333.790 3.890 20 0 EHADRM O=C(NCCc1cc2ccccc2[nH]1)c1cc(F)c([O-])c(Cl)c1 ZINC000184512913 1042571882 /nfs/dbraw/zinc/57/18/82/1042571882.db2.gz PQVCYPGTSUYJMC-UHFFFAOYSA-N -1 0 332.762 3.639 20 0 EHADRM COC[C@@H](C)Oc1ccc(/C=C/c2nc(C(=O)[O-])c(C)s2)cc1 ZINC000663227400 1042574396 /nfs/dbraw/zinc/57/43/96/1042574396.db2.gz MWMXGHAKHGIQMD-OALRPVAKSA-N -1 0 333.409 3.734 20 0 EHADRM CC(C)(CC(=O)Nc1ccc(OC(F)(F)F)cc1Cl)C(=O)[O-] ZINC000663231268 1042578022 /nfs/dbraw/zinc/57/80/22/1042578022.db2.gz UZZQTKSOSPQXRC-UHFFFAOYSA-N -1 0 339.697 3.678 20 0 EHADRM CC(C)(CNC(=O)CC1(CC(=O)[O-])CCCCC1)CC(F)(F)F ZINC000663231278 1042578369 /nfs/dbraw/zinc/57/83/69/1042578369.db2.gz VGFKFMRPEZJVRQ-UHFFFAOYSA-N -1 0 337.382 3.897 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000601992591 1042654884 /nfs/dbraw/zinc/65/48/84/1042654884.db2.gz HWFNCYZTGDPWSW-DVOMOZLQSA-N -1 0 335.469 3.629 20 0 EHADRM O=C(Nc1ccc(OC(F)F)c(F)c1)c1cc(F)c([O-])c(F)c1 ZINC000186654569 1042681593 /nfs/dbraw/zinc/68/15/93/1042681593.db2.gz GZZIENPTQYHTGB-UHFFFAOYSA-N -1 0 333.212 3.663 20 0 EHADRM CN(Cc1ccc(F)cc1Cl)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000186790935 1042707648 /nfs/dbraw/zinc/70/76/48/1042707648.db2.gz SOTBVCBZZIILJN-UHFFFAOYSA-N -1 0 329.705 3.735 20 0 EHADRM C[C@H](CNC(=O)c1cc(F)c([O-])c(F)c1)Oc1cccc(Cl)c1 ZINC000186837064 1042712855 /nfs/dbraw/zinc/71/28/55/1042712855.db2.gz HHGIBTVRITYPTE-SECBINFHSA-N -1 0 341.741 3.521 20 0 EHADRM O=C([O-])[C@H](CNC(=O)Nc1cccc(Cl)c1Cl)C1CCC1 ZINC000663339590 1042721936 /nfs/dbraw/zinc/72/19/36/1042721936.db2.gz ZMDLIQWFDGJOQW-SECBINFHSA-N -1 0 331.199 3.616 20 0 EHADRM CCc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)oc1CC ZINC000659194456 1042730882 /nfs/dbraw/zinc/73/08/82/1042730882.db2.gz UEYFIFFATDCBSV-ILXRZTDVSA-N -1 0 333.428 3.510 20 0 EHADRM O=S(=O)([N-]c1nccc2sccc21)c1c(F)cccc1Cl ZINC000187033023 1042805518 /nfs/dbraw/zinc/80/55/18/1042805518.db2.gz OZQQWOLWWBZIFC-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2sccc2Br)c1 ZINC000042350433 1042881016 /nfs/dbraw/zinc/88/10/16/1042881016.db2.gz QTZCEWPGFKYIPV-UHFFFAOYSA-N -1 0 332.244 3.620 20 0 EHADRM C[C@H](C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccc(Cl)s1 ZINC000653331283 1042882901 /nfs/dbraw/zinc/88/29/01/1042882901.db2.gz PCFRBHDSBVSYKR-XDTLVQLUSA-N -1 0 349.839 3.934 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1cnccc1-c1ccccc1 ZINC000432344724 1042978144 /nfs/dbraw/zinc/97/81/44/1042978144.db2.gz BUVHCJKVJFJDLR-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)N=c2ccc(C3CC3)n[n-]2)ccc1C(C)C ZINC000604707945 1042986813 /nfs/dbraw/zinc/98/68/13/1042986813.db2.gz CJRPSFUKGXZVBL-CQSZACIVSA-N -1 0 339.439 3.614 20 0 EHADRM O=S(=O)([N-]c1cnccc1-c1ccccc1)c1cc(F)ccc1F ZINC000432356861 1042995897 /nfs/dbraw/zinc/99/58/97/1042995897.db2.gz JCNYVYKYGVSQMV-UHFFFAOYSA-N -1 0 346.358 3.828 20 0 EHADRM O=c1[nH]c(SC2CCC2)nc2c1cnn2-c1cccc(Cl)c1 ZINC000644853432 1043002409 /nfs/dbraw/zinc/00/24/09/1043002409.db2.gz QTNIVCAIVMAWAA-UHFFFAOYSA-N -1 0 332.816 3.819 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCC2(c3ccccc3Cl)CC2)c(F)c1 ZINC000432115983 1043012702 /nfs/dbraw/zinc/01/27/02/1043012702.db2.gz YPFURDCMJBCBGD-UHFFFAOYSA-N -1 0 347.773 3.639 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2cncc(C)c2)c2ccccc12 ZINC000432372608 1043019485 /nfs/dbraw/zinc/01/94/85/1043019485.db2.gz IRKMMGCQHSNMLA-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM Cc1cnc([C@H](C)Nc2ncnc3sc(C(=O)[O-])c(C)c32)s1 ZINC000317141101 1043039199 /nfs/dbraw/zinc/03/91/99/1043039199.db2.gz HLBPSZLZHVBJKI-QMMMGPOBSA-N -1 0 334.426 3.636 20 0 EHADRM Cc1cnc(Cl)c(NS(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000318062344 1043207461 /nfs/dbraw/zinc/20/74/61/1043207461.db2.gz ATYHWTQPPXKDPW-UHFFFAOYSA-N -1 0 336.844 3.723 20 0 EHADRM Oc1ccc(CNc2nc(C3CC3)ncc2Br)cc1F ZINC000663644357 1043235506 /nfs/dbraw/zinc/23/55/06/1043235506.db2.gz LWHUOHNHWBZTMN-UHFFFAOYSA-N -1 0 338.180 3.573 20 0 EHADRM CCc1cccc2c1N(Cc1cc(=O)oc3c(C)c(O)ccc13)CC2 ZINC001167860902 1043785764 /nfs/dbraw/zinc/78/57/64/1043785764.db2.gz ZRZXERIEMRDHCX-UHFFFAOYSA-N -1 0 335.403 3.932 20 0 EHADRM CC1(C)CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])C[C@@H]1O ZINC000279348106 1043983915 /nfs/dbraw/zinc/98/39/15/1043983915.db2.gz OOQDJNFXYNPRHU-INIZCTEOSA-N -1 0 345.826 3.556 20 0 EHADRM CC(C)[C@@H](CNC(=O)Nc1ccccc1Cc1ccccc1)C(=O)[O-] ZINC000327284890 1044293877 /nfs/dbraw/zinc/29/38/77/1044293877.db2.gz VIXZRFNAAPRVTI-QGZVFWFLSA-N -1 0 340.423 3.756 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@@H]2CCCOc3cc(Cl)ccc32)s[n-]1 ZINC000337885384 1044519352 /nfs/dbraw/zinc/51/93/52/1044519352.db2.gz XMNHPFNWWKGHFG-JOYOIKCWSA-N -1 0 339.848 3.647 20 0 EHADRM C[C@H](c1cccs1)N(C)C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000344866419 1044555326 /nfs/dbraw/zinc/55/53/26/1044555326.db2.gz OJRDRNKWBLZXBA-LLVKDONJSA-N -1 0 345.399 3.612 20 0 EHADRM O=C(Nc1ccc(SC(F)F)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000183286442 1125512612 /nfs/dbraw/zinc/51/26/12/1125512612.db2.gz QDCJHWPOGHKDKH-UHFFFAOYSA-N -1 0 340.307 3.867 20 0 EHADRM O=C(Cn1ncc2ccccc21)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000154689742 1125746363 /nfs/dbraw/zinc/74/63/63/1125746363.db2.gz XGOAIEJMHMXGSH-UHFFFAOYSA-N -1 0 336.178 3.687 20 0 EHADRM O=C(c1ccc(O)cc1O)N1CCc2cc(-c3ccccc3)ccc21 ZINC000154854139 1125760929 /nfs/dbraw/zinc/76/09/29/1125760929.db2.gz AOQZSRPZWKBCLH-UHFFFAOYSA-N -1 0 331.371 3.968 20 0 EHADRM CCOc1ccc(CN[C@@H](Cc2cccc3ccccc32)C(=O)[O-])o1 ZINC000900034954 1126127782 /nfs/dbraw/zinc/12/77/82/1126127782.db2.gz DVBNNPLEBWNUJE-SFHVURJKSA-N -1 0 339.391 3.617 20 0 EHADRM O=C([O-])[C@H](Cc1ccccc1)NCc1csc(C2CCCCC2)n1 ZINC001601659765 1126224321 /nfs/dbraw/zinc/22/43/21/1126224321.db2.gz KXPCIZDXGXHQMH-KRWDZBQOSA-N -1 0 344.480 3.976 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1csc2cncn21 ZINC000354428727 1126732376 /nfs/dbraw/zinc/73/23/76/1126732376.db2.gz VNILGBWZOYZXOZ-UHFFFAOYSA-N -1 0 328.180 3.661 20 0 EHADRM COc1c(C)ccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)c1C ZINC000171263067 1126758803 /nfs/dbraw/zinc/75/88/03/1126758803.db2.gz ARFFMJRYAASOKG-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)c(C)s1 ZINC000336876584 1126813713 /nfs/dbraw/zinc/81/37/13/1126813713.db2.gz HFEXFNGGZWTPAE-BFUOFWGJSA-N -1 0 345.464 3.975 20 0 EHADRM O=C(NCCCOc1ccccc1F)c1ccc2[n-]c(=S)oc2c1 ZINC000072832566 1126902755 /nfs/dbraw/zinc/90/27/55/1126902755.db2.gz KCWTXOQNEKNRCG-UHFFFAOYSA-N -1 0 346.383 3.828 20 0 EHADRM CCCCCC[C@@H](C)NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000072849691 1126903565 /nfs/dbraw/zinc/90/35/65/1126903565.db2.gz LWPPZOQRBPVTEN-OAHLLOKOSA-N -1 0 329.444 3.563 20 0 EHADRM O=C(Nc1cc(Cl)cc(Br)c1[O-])[C@H]1C[C@H]1C1CC1 ZINC000176253971 1126908561 /nfs/dbraw/zinc/90/85/61/1126908561.db2.gz YLUSAMVIOYSIEC-IUCAKERBSA-N -1 0 330.609 3.793 20 0 EHADRM CCC(C)(C)CC(=O)N1CCC[C@H](c2n[nH]c(=S)n2C2CC2)C1 ZINC000073093121 1127006035 /nfs/dbraw/zinc/00/60/35/1127006035.db2.gz WPMCCBYRDFIXMR-LBPRGKRZSA-N -1 0 336.505 3.808 20 0 EHADRM Cc1n[nH]c2cc([N-]S(=O)(=O)c3cccc(C)c3Cl)ccc12 ZINC000180009384 1127109449 /nfs/dbraw/zinc/10/94/49/1127109449.db2.gz PZRJWQORUAKSQD-UHFFFAOYSA-N -1 0 335.816 3.634 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2ccc3ccccc3c2)C1 ZINC000325109691 1127333317 /nfs/dbraw/zinc/33/33/17/1127333317.db2.gz ZKYMSNAHCSNWNV-IBGZPJMESA-N -1 0 326.396 3.949 20 0 EHADRM C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H](c1ccc(F)cc1)C(C)(C)C ZINC000184213632 1127398340 /nfs/dbraw/zinc/39/83/40/1127398340.db2.gz FFDITWNRJAFDNT-BXKDBHETSA-N -1 0 341.370 3.783 20 0 EHADRM C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H]1CCC(C)(C)c2ccccc21 ZINC000184366961 1127403113 /nfs/dbraw/zinc/40/31/13/1127403113.db2.gz XYAUSKOPDKLYCM-GWCFXTLKSA-N -1 0 335.391 3.669 20 0 EHADRM CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)c1c(O)cccc1Cl ZINC000764342698 1127483207 /nfs/dbraw/zinc/48/32/07/1127483207.db2.gz PRTOYCRXSFQQTR-UHFFFAOYSA-N -1 0 341.798 3.708 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(COC(C)(C)C)cc2)cn1 ZINC000671660387 1127765130 /nfs/dbraw/zinc/76/51/30/1127765130.db2.gz AXMHUTCIAFBOGG-UHFFFAOYSA-N -1 0 334.441 3.506 20 0 EHADRM Clc1cccc2c1CC[C@@H]2N=c1[n-]nc(C2CCOCC2)s1 ZINC000338658331 1128007991 /nfs/dbraw/zinc/00/79/91/1128007991.db2.gz YSEYQAXZPZHHIO-AWEZNQCLSA-N -1 0 335.860 3.607 20 0 EHADRM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cnc(C(C)(C)C)nc1 ZINC000063850043 1128159251 /nfs/dbraw/zinc/15/92/51/1128159251.db2.gz MGJZXRNMENVOMX-UHFFFAOYSA-N -1 0 339.848 3.537 20 0 EHADRM O=C(NN1C[C@H]2CCC[C@@H]2C1)c1cc(Cl)c2ccccc2c1[O-] ZINC001649096694 1128228970 /nfs/dbraw/zinc/22/89/70/1128228970.db2.gz BZHRBHLBNLGXSI-VXGBXAGGSA-N -1 0 330.815 3.576 20 0 EHADRM CCCOCc1ccccc1CNC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000055149956 1128507012 /nfs/dbraw/zinc/50/70/12/1128507012.db2.gz RDQBDIFXTGQWFO-UHFFFAOYSA-N -1 0 347.455 3.655 20 0 EHADRM O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1cccc(Cl)c1[O-] ZINC000765844132 1128544357 /nfs/dbraw/zinc/54/43/57/1128544357.db2.gz WHEXZXHUMYRNNW-BBRMVZONSA-N -1 0 331.799 3.696 20 0 EHADRM [O-]c1c(Br)cccc1-c1nc(Cc2cccs2)no1 ZINC000542707645 1128549589 /nfs/dbraw/zinc/54/95/89/1128549589.db2.gz BDVBARQCFOOVCV-UHFFFAOYSA-N -1 0 337.198 3.857 20 0 EHADRM CC(C)c1nc(=N[C@H]2CCCc3cn(C4CCCC4)nc32)s[n-]1 ZINC000542814738 1128657756 /nfs/dbraw/zinc/65/77/56/1128657756.db2.gz XVJZQHFIJRNBBQ-AWEZNQCLSA-N -1 0 331.489 3.885 20 0 EHADRM CC(F)(F)c1ccc(CN=c2[n-]nc(C3CCOCC3)s2)cc1 ZINC000338729327 1128772887 /nfs/dbraw/zinc/77/28/87/1128772887.db2.gz MYKZUQRKJJZHDK-UHFFFAOYSA-N -1 0 339.411 3.578 20 0 EHADRM C[C@H]1CC[C@@](C)(CNS(=O)(=O)c2cccc(Cl)c2[O-])C1(C)C ZINC001212440202 1128799974 /nfs/dbraw/zinc/79/99/74/1128799974.db2.gz DQVBJIZXJCEPDH-ZBEGNZNMSA-N -1 0 345.892 3.786 20 0 EHADRM CO[C@H](C)[C@@H](C)NC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC001648831693 1120050769 /nfs/dbraw/zinc/05/07/69/1120050769.db2.gz LPMBFDITANZCEX-VXGBXAGGSA-N -1 0 333.815 3.866 20 0 EHADRM COc1nccc2c(NC(=O)c3cc(F)cc(Cl)c3[O-])cccc12 ZINC001648840485 1120051759 /nfs/dbraw/zinc/05/17/59/1120051759.db2.gz WGSJMZKAGNYERG-UHFFFAOYSA-N -1 0 346.745 3.994 20 0 EHADRM CCON(CC)C(=O)N=c1nc(-c2ccc(SC)cc2)[n-]s1 ZINC001670617750 1120090970 /nfs/dbraw/zinc/09/09/70/1120090970.db2.gz UUTWIFZBJOMRQZ-UHFFFAOYSA-N -1 0 338.458 3.732 20 0 EHADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)Cc1cccc(C)c1 ZINC000074928039 1120240364 /nfs/dbraw/zinc/24/03/64/1120240364.db2.gz QZBQHNIQORXVCJ-UHFFFAOYSA-N -1 0 325.817 3.599 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000236916084 1120245756 /nfs/dbraw/zinc/24/57/56/1120245756.db2.gz LXQMESDPZWUECD-GDLCADMTSA-N -1 0 343.345 3.521 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2ccc([C@H]3CCCOC3)cc2)c1 ZINC000668277500 1120350480 /nfs/dbraw/zinc/35/04/80/1120350480.db2.gz JBSWTOLBWKTYPB-HNNXBMFYSA-N -1 0 343.354 3.670 20 0 EHADRM CSc1cccc(C)c1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000185337414 1120409589 /nfs/dbraw/zinc/40/95/89/1120409589.db2.gz ORDOTNYXRQSPSJ-UHFFFAOYSA-N -1 0 347.383 3.935 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000185816097 1120430388 /nfs/dbraw/zinc/43/03/88/1120430388.db2.gz CVLPUHZPIFZEQN-MRVPVSSYSA-N -1 0 347.292 3.530 20 0 EHADRM COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])c(O)c1 ZINC000220548393 1120483759 /nfs/dbraw/zinc/48/37/59/1120483759.db2.gz XROGWEYNLUEHPI-UHFFFAOYSA-N -1 0 328.151 3.666 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)CSc1ccc2c(c1)CCC2 ZINC000013261391 1128919903 /nfs/dbraw/zinc/91/99/03/1128919903.db2.gz BCMHNSRZIGWATN-UHFFFAOYSA-N -1 0 327.405 3.604 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cnc(Cl)cc2C)cc1Cl ZINC000153007494 1120529209 /nfs/dbraw/zinc/52/92/09/1120529209.db2.gz ROVYVTWRMLEEQR-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM O=C([O-])c1cccc(NC(=O)COc2ccc(Cl)c(Cl)c2)c1 ZINC000013318095 1128927712 /nfs/dbraw/zinc/92/77/12/1128927712.db2.gz MGQDFMPVQVPPJC-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM Cc1ccc2nc(NC(=O)c3cc(F)c(F)c([O-])c3F)sc2c1 ZINC000193918150 1120808388 /nfs/dbraw/zinc/80/83/88/1120808388.db2.gz FJAHZNWEFHXJMN-UHFFFAOYSA-N -1 0 338.310 3.980 20 0 EHADRM CC(C)CONC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 ZINC000153364989 1120989870 /nfs/dbraw/zinc/98/98/70/1120989870.db2.gz YYHIOVYHBFSVKP-UHFFFAOYSA-N -1 0 346.374 3.952 20 0 EHADRM O=C(O[C@@H]1CCCc2ccccc2C1=O)c1ccc([O-])c(Cl)c1 ZINC000762832933 1121453870 /nfs/dbraw/zinc/45/38/70/1121453870.db2.gz XGRBUASIFCZADE-MRXNPFEDSA-N -1 0 330.767 3.790 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])Cc1csc(-c2ccc(OC)cc2)n1 ZINC000236860228 1121466935 /nfs/dbraw/zinc/46/69/35/1121466935.db2.gz YHALKGCJTUSGAL-GFCCVEGCSA-N -1 0 334.441 3.504 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1csc(-c2ccc(C)cc2C)n1 ZINC000236944527 1121469678 /nfs/dbraw/zinc/46/96/78/1121469678.db2.gz OKTAOGQHNUXUKF-ZDUSSCGKSA-N -1 0 346.452 3.752 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cccc(OC2CCCCC2)c1 ZINC000237065834 1121473012 /nfs/dbraw/zinc/47/30/12/1121473012.db2.gz LUXFJIFWXVLGKT-CQSZACIVSA-N -1 0 333.428 3.723 20 0 EHADRM Cc1ccc(CCC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c(C)c1 ZINC000237607358 1121489224 /nfs/dbraw/zinc/48/92/24/1121489224.db2.gz NPTJHIIVZHUKAQ-JXFKEZNVSA-N -1 0 339.435 3.814 20 0 EHADRM Cc1cc(NC(=O)C2=Cc3cc(Cl)ccc3OC2)ccc1C(=O)[O-] ZINC000237795021 1121494578 /nfs/dbraw/zinc/49/45/78/1121494578.db2.gz FMWSINAZKSDBJU-UHFFFAOYSA-N -1 0 343.766 3.761 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)c1ccccc1C(F)(F)F ZINC000238106723 1121502425 /nfs/dbraw/zinc/50/24/25/1121502425.db2.gz XJYLYMVOEIEEBF-UHFFFAOYSA-N -1 0 331.334 3.860 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)cc1 ZINC000238168828 1121504726 /nfs/dbraw/zinc/50/47/26/1121504726.db2.gz XVFNOKXGPUPYNM-UHFFFAOYSA-N -1 0 336.347 3.611 20 0 EHADRM COc1cccc(CSc2n[n-]c(=Nc3cccc(F)c3)s2)n1 ZINC000495828899 1121540844 /nfs/dbraw/zinc/54/08/44/1121540844.db2.gz GIBDMZZJUPXDEA-UHFFFAOYSA-N -1 0 348.428 3.539 20 0 EHADRM COCCCOc1cc(-c2ccc(/C=C/C(=O)[O-])cc2)ccc1OC ZINC001235459427 1121590482 /nfs/dbraw/zinc/59/04/82/1121590482.db2.gz QSERWODMRMHDMB-IZZDOVSWSA-N -1 0 342.391 3.875 20 0 EHADRM Cc1ccc(OCC(=O)Nc2ccc3[n-]c(=S)oc3c2)c(C)c1 ZINC000762966251 1121618397 /nfs/dbraw/zinc/61/83/97/1121618397.db2.gz DFAHLLKNPMUWQP-UHFFFAOYSA-N -1 0 328.393 3.751 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)CCSc2ccccc2)c1 ZINC000322833481 1121675753 /nfs/dbraw/zinc/67/57/53/1121675753.db2.gz HLQXDJKFVLRMOR-UHFFFAOYSA-N -1 0 329.421 3.825 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000397516191 1121765347 /nfs/dbraw/zinc/76/53/47/1121765347.db2.gz AOXBIHLYVAVVJR-AXTRIDKLSA-N -1 0 330.211 3.624 20 0 EHADRM CCCOCc1ccccc1CNC(=O)CC(CC)(CC)C(=O)[O-] ZINC000055149967 1121800223 /nfs/dbraw/zinc/80/02/23/1121800223.db2.gz DUIFYOKDOUSDBY-UHFFFAOYSA-N -1 0 335.444 3.511 20 0 EHADRM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C)s2)c1 ZINC000055594995 1121843161 /nfs/dbraw/zinc/84/31/61/1121843161.db2.gz WOZMIHDWLZKUJD-UHFFFAOYSA-N -1 0 338.454 3.514 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)cnc1Cl ZINC000763295023 1121946757 /nfs/dbraw/zinc/94/67/57/1121946757.db2.gz SNKIKBGLMAWQAV-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CCOCc1ccc([N-]S(=O)(=O)c2cc(C)ccc2Cl)cc1 ZINC000124698361 1122293245 /nfs/dbraw/zinc/29/32/45/1122293245.db2.gz CRTSOLLQJBFSNP-UHFFFAOYSA-N -1 0 339.844 3.986 20 0 EHADRM CCCCn1ncc([N-]S(=O)(=O)c2cc(C)ccc2Cl)c1C ZINC000124873125 1122297577 /nfs/dbraw/zinc/29/75/77/1122297577.db2.gz HVAGXYWQMFILQK-UHFFFAOYSA-N -1 0 341.864 3.754 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2c(F)cccc2Cl)cc1C ZINC000126347874 1122402685 /nfs/dbraw/zinc/40/26/85/1122402685.db2.gz WTIVFDILZDYJBZ-UHFFFAOYSA-N -1 0 341.791 3.791 20 0 EHADRM O=C([O-])C1(C(=O)NCCC(c2ccccc2)c2ccccc2)CC=CC1 ZINC000656848541 1129058430 /nfs/dbraw/zinc/05/84/30/1129058430.db2.gz OMRAFNWYKSHOLE-UHFFFAOYSA-N -1 0 349.430 3.746 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3ccccc3n2)c1 ZINC000497848677 1122682357 /nfs/dbraw/zinc/68/23/57/1122682357.db2.gz NJNTUIQLWYURIF-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1ccc(SCC(=O)N(CCC(=O)[O-])Cc2ccccc2)cc1 ZINC000013428736 1129072822 /nfs/dbraw/zinc/07/28/22/1129072822.db2.gz JVOFCYLXAKVUAK-UHFFFAOYSA-N -1 0 343.448 3.591 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(CC)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262741330 1122801333 /nfs/dbraw/zinc/80/13/33/1122801333.db2.gz WKTJCYMKDUHVNP-BZSNNMDCSA-N -1 0 331.456 3.747 20 0 EHADRM CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1c([O-])cccc1F ZINC000129575322 1122804841 /nfs/dbraw/zinc/80/48/41/1122804841.db2.gz WYDIIPLBWMEWAS-UHFFFAOYSA-N -1 0 343.276 3.702 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NCc1c[nH]nc1-c1ccc(F)cc1 ZINC000556323324 1122929332 /nfs/dbraw/zinc/92/93/32/1122929332.db2.gz CXCSEOOHPCFNQF-UHFFFAOYSA-N -1 0 325.343 3.835 20 0 EHADRM CC(C)(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000498488744 1122943887 /nfs/dbraw/zinc/94/38/87/1122943887.db2.gz JMMUDZZEBNAJPF-UHFFFAOYSA-N -1 0 341.379 3.943 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)c2ccccc12 ZINC000131308439 1123078209 /nfs/dbraw/zinc/07/82/09/1123078209.db2.gz AHDWQQQIJCBXOO-UHFFFAOYSA-N -1 0 346.408 3.644 20 0 EHADRM CC1(C)CC[C@H](NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c2ccccc21 ZINC000262908378 1123080089 /nfs/dbraw/zinc/08/00/89/1123080089.db2.gz JGQTVELTKUJPEL-ZQIUZPCESA-N -1 0 329.440 3.806 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(O)c2F)s1 ZINC000131536292 1123133632 /nfs/dbraw/zinc/13/36/32/1123133632.db2.gz GHONJXCEKKRNBP-UHFFFAOYSA-N -1 0 329.418 3.691 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)cc1 ZINC000072882103 1123172445 /nfs/dbraw/zinc/17/24/45/1123172445.db2.gz PGVHPXPDSUXUPN-INIZCTEOSA-N -1 0 349.434 3.616 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cn(C(C)C)cn2)ccc1C(F)(F)F ZINC000132094387 1123201528 /nfs/dbraw/zinc/20/15/28/1123201528.db2.gz HZZXXPXCJPRVDW-UHFFFAOYSA-N -1 0 347.362 3.592 20 0 EHADRM O=C(Nc1ccc(Sc2nncs2)cc1)c1c([O-])cccc1F ZINC000132141557 1123204244 /nfs/dbraw/zinc/20/42/44/1123204244.db2.gz STKJPKHDRIFTRR-UHFFFAOYSA-N -1 0 347.396 3.786 20 0 EHADRM CC(C)c1cccc(C(=O)[O-])c1NS(=O)(=O)/C=C\c1ccccc1 ZINC000919960213 1123247117 /nfs/dbraw/zinc/24/71/17/1123247117.db2.gz UYJWJZGKFUNYSY-QXMHVHEDSA-N -1 0 345.420 3.921 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000132771588 1123299138 /nfs/dbraw/zinc/29/91/38/1123299138.db2.gz QQVYLVSXNPJBMZ-LJQANCHMSA-N -1 0 336.366 3.578 20 0 EHADRM CCC/C(C)=C\C(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000920322171 1123356932 /nfs/dbraw/zinc/35/69/32/1123356932.db2.gz ZGJGDQXWOPDIBZ-CLFYSBASSA-N -1 0 336.240 3.545 20 0 EHADRM CC[C@H](C)NC(=O)c1ccc(NC(=O)c2c([O-])cccc2Cl)cc1 ZINC000920461836 1123371582 /nfs/dbraw/zinc/37/15/82/1123371582.db2.gz VNEKKVKXHDSJHL-NSHDSACASA-N -1 0 346.814 3.826 20 0 EHADRM CCc1ccc(O)c(C(=O)N2CC[C@@H](c3ccccc3OC)C2)c1 ZINC000133285700 1123376948 /nfs/dbraw/zinc/37/69/48/1123376948.db2.gz MGDRQFQVLKFPJE-OAHLLOKOSA-N -1 0 325.408 3.593 20 0 EHADRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F)CC(C)(C)C ZINC000920791793 1123424214 /nfs/dbraw/zinc/42/42/14/1123424214.db2.gz BUWIFGFNWOGMEN-JTQLQIEISA-N -1 0 349.855 3.746 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C2CCCCCC2)C[C@H]1c1ccc(Cl)cc1 ZINC000263112623 1123427038 /nfs/dbraw/zinc/42/70/38/1123427038.db2.gz QASQEHCTWRHHAL-DLBZAZTESA-N -1 0 349.858 3.937 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000236579059 1123435939 /nfs/dbraw/zinc/43/59/39/1123435939.db2.gz UPYKVNMGSSHNSP-UHFFFAOYSA-N -1 0 331.343 3.954 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)/C=C\c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000920939043 1123440509 /nfs/dbraw/zinc/44/05/09/1123440509.db2.gz YLDIGVALEFETTL-BPAYBPMLSA-N -1 0 347.773 3.825 20 0 EHADRM CC(C)OCc1ccccc1CNC(=O)c1c([O-])cc(F)cc1F ZINC000066044440 1129125431 /nfs/dbraw/zinc/12/54/31/1129125431.db2.gz LMABHZCOZQHHRT-UHFFFAOYSA-N -1 0 335.350 3.525 20 0 EHADRM Cc1ccc(Cl)c(OCC(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC000324767160 1123519214 /nfs/dbraw/zinc/51/92/14/1123519214.db2.gz BJUFWGJBGVPSMD-UITAMQMPSA-N -1 0 345.782 3.764 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)C1(c2cccc(Cl)c2)CCCCC1 ZINC000237498671 1123522122 /nfs/dbraw/zinc/52/21/22/1123522122.db2.gz HYEVMJUNASOVNN-ZDUSSCGKSA-N -1 0 337.847 3.911 20 0 EHADRM Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000324771442 1123523460 /nfs/dbraw/zinc/52/34/60/1123523460.db2.gz CRIBHNUJSIJFDN-WTKPLQERSA-N -1 0 345.782 3.764 20 0 EHADRM O=S(=O)([N-]c1cccc2ncccc12)c1cccc2cnccc21 ZINC000135719028 1123640788 /nfs/dbraw/zinc/64/07/88/1123640788.db2.gz GAIGOYZVPFHEOE-UHFFFAOYSA-N -1 0 335.388 3.584 20 0 EHADRM COc1ccc(C2(CNC(=O)CCCCC(=O)[O-])CCCCC2)cc1 ZINC000263265406 1123686437 /nfs/dbraw/zinc/68/64/37/1123686437.db2.gz HETYHRCOULKRAR-UHFFFAOYSA-N -1 0 347.455 3.658 20 0 EHADRM CCCCN(C(=O)c1ccc2oc(=O)nc-2[n-]1)[C@@H]1CCC[C@H](C)C1 ZINC000615375047 1123788183 /nfs/dbraw/zinc/78/81/83/1123788183.db2.gz SHABMSWZOBTMOO-QWHCGFSZSA-N -1 0 331.416 3.749 20 0 EHADRM Cc1ccc(CCCCC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000237701405 1123815082 /nfs/dbraw/zinc/81/50/82/1123815082.db2.gz INNBJSHYNALJQJ-SFHVURJKSA-N -1 0 331.456 3.954 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N(C)Cc2cccc(C)c2)s1 ZINC000615487859 1123815127 /nfs/dbraw/zinc/81/51/27/1123815127.db2.gz JDLWXIBQLJPRRN-UHFFFAOYSA-N -1 0 332.473 3.836 20 0 EHADRM Cc1cccc(OCCCCC(=O)N2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000237707633 1123824066 /nfs/dbraw/zinc/82/40/66/1123824066.db2.gz CCPYZYAYWNWDHY-KRWDZBQOSA-N -1 0 347.455 3.790 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000068256643 1123894945 /nfs/dbraw/zinc/89/49/45/1123894945.db2.gz AYBBTVTUEQDVIZ-VQSQSKOLSA-N -1 0 337.828 3.523 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1 ZINC000237954396 1123921104 /nfs/dbraw/zinc/92/11/04/1123921104.db2.gz LYKYHBMCGNLBEQ-DHZHZOJOSA-N -1 0 334.331 3.692 20 0 EHADRM CC(C)[C@@H](NC(=O)CC(C)(C)C(=O)[O-])c1ccc(Cl)cc1F ZINC000180432521 1124001832 /nfs/dbraw/zinc/00/18/32/1124001832.db2.gz KQJUGKRNVLYBKO-CQSZACIVSA-N -1 0 329.799 3.793 20 0 EHADRM C[C@H](Oc1cccc(C(=O)/C=C/c2ccc3ncccc3c2)c1)C(=O)[O-] ZINC000068726447 1124010831 /nfs/dbraw/zinc/01/08/31/1124010831.db2.gz CAXALFQBSAVXOW-PLWJUESGSA-N -1 0 347.370 3.983 20 0 EHADRM C=CCCC[C@H](C)NC(=O)N[N-]C(=O)c1c(Cl)cccc1Cl ZINC000180691783 1124051852 /nfs/dbraw/zinc/05/18/52/1124051852.db2.gz ZUMSBZGFRVJATF-JTQLQIEISA-N -1 0 344.242 3.682 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)[C@@H](CC1CCCCC1)C(C)C ZINC000734713906 1131269113 /nfs/dbraw/zinc/26/91/13/1131269113.db2.gz CHTLJFWQCHWPMM-INIZCTEOSA-N -1 0 331.522 3.864 20 0 EHADRM CC[C@H](CC(=O)[N-]S(=O)(=O)c1cc(C)oc1C)c1ccc(C)cc1 ZINC000181317763 1124747706 /nfs/dbraw/zinc/74/77/06/1124747706.db2.gz LBOBCYNMBBFSPX-OAHLLOKOSA-N -1 0 349.452 3.594 20 0 EHADRM CC(C)(C)/C=C/C(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000735216636 1131322478 /nfs/dbraw/zinc/32/24/78/1131322478.db2.gz NNBONRSKOYUALQ-BUHFOSPRSA-N -1 0 343.448 3.761 20 0 EHADRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000181658979 1125002688 /nfs/dbraw/zinc/00/26/88/1125002688.db2.gz CIQDVAJIYJBJQH-UHFFFAOYSA-N -1 0 340.788 3.666 20 0 EHADRM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cnc(Cl)c(C)c1 ZINC000735265198 1131327713 /nfs/dbraw/zinc/32/77/13/1131327713.db2.gz BHHPTWUKNNVSIZ-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cnc1Cl ZINC000735266953 1131328050 /nfs/dbraw/zinc/32/80/50/1131328050.db2.gz GAYMIPOPTWPAEW-UHFFFAOYSA-N -1 0 340.832 3.631 20 0 EHADRM CCCC[C@H](CC)CC(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000735396166 1131339266 /nfs/dbraw/zinc/33/92/66/1131339266.db2.gz NKPVMHVHHUZZPZ-LBPRGKRZSA-N -1 0 331.865 3.751 20 0 EHADRM CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2cc(F)c([O-])c(F)c2)C12CCC2 ZINC000619100460 1125280596 /nfs/dbraw/zinc/28/05/96/1125280596.db2.gz AKYGFNLGJHOTQL-UONOGXRCSA-N -1 0 339.382 3.527 20 0 EHADRM O=S(=O)(/C=C/c1ccc(F)cc1)[N-]c1cnoc1-c1ccccc1 ZINC000182489880 1125318120 /nfs/dbraw/zinc/31/81/20/1125318120.db2.gz CQCIEHONPIKYLV-ZHACJKMWSA-N -1 0 344.367 3.893 20 0 EHADRM O=C(NC1CCC2(CC2(F)F)CC1)c1cc(F)cc(Cl)c1[O-] ZINC000619229854 1125321290 /nfs/dbraw/zinc/32/12/90/1125321290.db2.gz PBPHXHJFDOPQRL-UHFFFAOYSA-N -1 0 333.737 3.883 20 0 EHADRM CCOC(=O)c1nc(NC(=O)c2ccc(C(C)C)c(Cl)c2)c[nH]1 ZINC000619446468 1125347547 /nfs/dbraw/zinc/34/75/47/1125347547.db2.gz LMWWBWYHARSEQS-UHFFFAOYSA-N -1 0 335.791 3.616 20 0 EHADRM CCCOc1ccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)c(C)c1 ZINC000056133502 1125417855 /nfs/dbraw/zinc/41/78/55/1125417855.db2.gz WRQKNJGGJHGGOE-UHFFFAOYSA-N -1 0 336.391 3.878 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)c(F)c1 ZINC000478855828 1129280852 /nfs/dbraw/zinc/28/08/52/1129280852.db2.gz MTSUWRKEMDEVDB-MAUKXSAKSA-N -1 0 341.382 3.980 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000068256638 1129355711 /nfs/dbraw/zinc/35/57/11/1129355711.db2.gz DRWCWQMBQBZKKN-GHMZBOCLSA-N -1 0 325.817 3.667 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)CCSc1ccccc1Cl ZINC000316176660 1129377940 /nfs/dbraw/zinc/37/79/40/1129377940.db2.gz SGZXOIYUNAJYDU-YPMHNXCESA-N -1 0 341.860 3.582 20 0 EHADRM O=C(Nc1n[nH]c(-c2ccccc2Cl)n1)c1c([O-])cccc1Cl ZINC000735688105 1131372941 /nfs/dbraw/zinc/37/29/41/1131372941.db2.gz QYNCWAQNRQFCFN-UHFFFAOYSA-N -1 0 349.177 3.736 20 0 EHADRM CCc1ccc(S(=O)(=O)C2=C([O-])c3ccccc3CCC2)cc1 ZINC000673451712 1129429816 /nfs/dbraw/zinc/42/98/16/1129429816.db2.gz ATRKLDYFMLWRDX-GOSISDBHSA-N -1 0 328.433 3.611 20 0 EHADRM Cn1cc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c2ccccc21 ZINC000390449531 1129619017 /nfs/dbraw/zinc/61/90/17/1129619017.db2.gz CYWAYDNFHZOGJP-UHFFFAOYSA-N -1 0 328.755 3.782 20 0 EHADRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc2ccn(C)c2c1 ZINC000509062606 1129711486 /nfs/dbraw/zinc/71/14/86/1129711486.db2.gz AWMHHZDKFSXEOD-UHFFFAOYSA-N -1 0 344.436 3.605 20 0 EHADRM CSc1ccc(Cl)cc1[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC000265899593 1129712050 /nfs/dbraw/zinc/71/20/50/1129712050.db2.gz DAKCIZPMHCYKAX-UHFFFAOYSA-N -1 0 345.877 3.640 20 0 EHADRM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cccc(SC)c2)n[nH]1 ZINC000509076122 1129725556 /nfs/dbraw/zinc/72/55/56/1129725556.db2.gz XFSZOHPVMAQVPF-NSHDSACASA-N -1 0 339.486 3.836 20 0 EHADRM Cc1oc(-c2ccccc2)nc1COC(=O)c1c(F)cc([O-])cc1F ZINC000735950591 1131393794 /nfs/dbraw/zinc/39/37/94/1131393794.db2.gz PMQBPSHLPPRALJ-UHFFFAOYSA-N -1 0 345.301 3.991 20 0 EHADRM COc1c(C)cc(C)cc1S(=O)(=O)Nc1cccc(Cl)c1F ZINC000509096806 1129744872 /nfs/dbraw/zinc/74/48/72/1129744872.db2.gz GYMNJNWZWNAIPM-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM CC(C)c1nc(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)c[nH]1 ZINC000673883508 1129894935 /nfs/dbraw/zinc/89/49/35/1129894935.db2.gz NIIZOOBZQNRPMW-UHFFFAOYSA-N -1 0 341.436 3.586 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2cc(CC)on2)c2ccccc12 ZINC000673897957 1129896209 /nfs/dbraw/zinc/89/62/09/1129896209.db2.gz STYWBHKEEMXAMH-UHFFFAOYSA-N -1 0 346.408 3.590 20 0 EHADRM CSc1ccc(NC(=O)C[C@]2(C(=O)[O-])CCSC2)cc1Cl ZINC000673898730 1129896293 /nfs/dbraw/zinc/89/62/93/1129896293.db2.gz OSPFEGKUEOJGQM-CQSZACIVSA-N -1 0 345.873 3.598 20 0 EHADRM O=C([O-])c1ccc(Nc2cnc(-c3ccc(O)cc3)nc2)c(F)c1F ZINC001212511775 1129911316 /nfs/dbraw/zinc/91/13/16/1129911316.db2.gz FFHIMMBUJARPNU-UHFFFAOYSA-N -1 0 343.289 3.569 20 0 EHADRM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccnn1C1CCCC1 ZINC000736063745 1131407114 /nfs/dbraw/zinc/40/71/14/1131407114.db2.gz SRXAAEZMMLGWLY-UHFFFAOYSA-N -1 0 347.484 3.924 20 0 EHADRM COc1cccc2cc(Nc3ccc(C(=O)[O-])c(F)c3F)cnc21 ZINC001212512174 1129920157 /nfs/dbraw/zinc/92/01/57/1129920157.db2.gz YULMRJIINKLQMP-UHFFFAOYSA-N -1 0 330.290 3.963 20 0 EHADRM O=C(NCc1c(F)cccc1OC(F)F)c1cccc(Cl)c1[O-] ZINC001128569668 1129922970 /nfs/dbraw/zinc/92/29/70/1129922970.db2.gz RZWBAWGXLWVLHM-UHFFFAOYSA-N -1 0 345.704 3.716 20 0 EHADRM Cc1cc(=O)oc2cc(Nc3ccc(C(=O)[O-])c(F)c3F)ccc12 ZINC001212513261 1129924069 /nfs/dbraw/zinc/92/40/69/1129924069.db2.gz IGUWAKAJNMWOMJ-UHFFFAOYSA-N -1 0 331.274 3.821 20 0 EHADRM COC(=O)c1ccc(Nc2ccc(C(=O)[O-])c(F)c2F)cc1Cl ZINC001212513424 1129924436 /nfs/dbraw/zinc/92/44/36/1129924436.db2.gz PRWGBJKJRLMERY-UHFFFAOYSA-N -1 0 341.697 3.847 20 0 EHADRM O=C([O-])c1ccc(Nc2cccc(Cn3ccnc3)c2)c(F)c1F ZINC001212513316 1129924448 /nfs/dbraw/zinc/92/44/48/1129924448.db2.gz KUBIMYYYKURFGW-UHFFFAOYSA-N -1 0 329.306 3.651 20 0 EHADRM COC(=O)[C@@H](C)c1ccc(Nc2ccc(C(=O)[O-])c(F)c2F)cc1 ZINC001212515892 1129927866 /nfs/dbraw/zinc/92/78/66/1129927866.db2.gz UHFNDLUFWUHDDL-VIFPVBQESA-N -1 0 335.306 3.683 20 0 EHADRM Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1cncc(O)c1 ZINC000171865772 1130094625 /nfs/dbraw/zinc/09/46/25/1130094625.db2.gz QHRDZMBVAHMNKA-NSHDSACASA-N -1 0 339.420 3.710 20 0 EHADRM CSc1ccncc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000674715087 1130179247 /nfs/dbraw/zinc/17/92/47/1130179247.db2.gz KXNQUVVIDDJMGK-UHFFFAOYSA-N -1 0 348.371 3.623 20 0 EHADRM Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1cccc2ccncc21 ZINC000674868675 1130212218 /nfs/dbraw/zinc/21/22/18/1130212218.db2.gz AXAWTDRJHQCJAO-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM CC(C)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)no1 ZINC000675104705 1130254474 /nfs/dbraw/zinc/25/44/74/1130254474.db2.gz MRKQLZMGLVMIEN-UHFFFAOYSA-N -1 0 335.212 3.906 20 0 EHADRM CC(C)(C)n1nccc1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000675246773 1130294616 /nfs/dbraw/zinc/29/46/16/1130294616.db2.gz LVRZHKMVROIDER-UHFFFAOYSA-N -1 0 348.255 3.746 20 0 EHADRM CCc1cccc(NS(=O)(=O)c2ccc(COC)cc2)c1CC ZINC000486083727 1130437785 /nfs/dbraw/zinc/43/77/85/1130437785.db2.gz AMRMKZGXXJTORD-UHFFFAOYSA-N -1 0 333.453 3.759 20 0 EHADRM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000676001660 1130516206 /nfs/dbraw/zinc/51/62/06/1130516206.db2.gz NGPIMCVHTSIOQR-KBPBESRZSA-N -1 0 345.782 3.789 20 0 EHADRM COc1ccc(CCCCC(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000676211112 1130545229 /nfs/dbraw/zinc/54/52/29/1130545229.db2.gz BJKYCLGUFZFPTJ-UHFFFAOYSA-N -1 0 341.407 3.674 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)[N-]S(=O)(=O)CC(C)C)c(F)c2)cc1 ZINC000730400289 1130705821 /nfs/dbraw/zinc/70/58/21/1130705821.db2.gz XTVAMFXSMYRWQE-UHFFFAOYSA-N -1 0 349.427 3.517 20 0 EHADRM CCCN(Cc1ccccc1F)C(=O)c1n[n-]c2ccccc2c1=O ZINC000732268335 1130907989 /nfs/dbraw/zinc/90/79/89/1130907989.db2.gz IMQGMYXMQCGDOJ-UHFFFAOYSA-N -1 0 339.370 3.527 20 0 EHADRM C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1)C1CC1 ZINC000732614320 1130941866 /nfs/dbraw/zinc/94/18/66/1130941866.db2.gz YXMTTXOHQYPDSM-CQSZACIVSA-N -1 0 343.448 3.595 20 0 EHADRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)CCCc1ccc(Cl)cc1 ZINC000732905522 1130972586 /nfs/dbraw/zinc/97/25/86/1130972586.db2.gz RXQJKTIIVLIFOT-ZDUSSCGKSA-N -1 0 345.892 3.545 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1O ZINC000177830203 1131210163 /nfs/dbraw/zinc/21/01/63/1131210163.db2.gz LTUMZBKYAQNTPP-UHFFFAOYSA-N -1 0 331.315 3.520 20 0 EHADRM C[C@H]1COCCN1c1ccc(NC(=O)c2c([O-])cccc2Cl)cc1 ZINC000738554072 1131471840 /nfs/dbraw/zinc/47/18/40/1131471840.db2.gz SZZOXSOBUVAKPA-LBPRGKRZSA-N -1 0 346.814 3.523 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)C2(c3cccc(F)c3)CC2)cc1 ZINC000738559167 1131472518 /nfs/dbraw/zinc/47/25/18/1131472518.db2.gz MMMKIDKBNRBCRX-TWGQIWQCSA-N -1 0 325.339 3.594 20 0 EHADRM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)/C=C\c1ccc(Cl)cc1 ZINC000737348014 1131490963 /nfs/dbraw/zinc/49/09/63/1131490963.db2.gz SYPWPHDXNQKTIP-KIWPFMIBSA-N -1 0 349.839 3.560 20 0 EHADRM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cc2ccccc2s1 ZINC000737355013 1131513752 /nfs/dbraw/zinc/51/37/52/1131513752.db2.gz KEWSROCITXIOCL-GFCCVEGCSA-N -1 0 345.445 3.722 20 0 EHADRM CCC(=CC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1)c1ccc(C)cc1 ZINC000741553935 1131621933 /nfs/dbraw/zinc/62/19/33/1131621933.db2.gz MWNGXUMSCYBVQN-OWBHPGMISA-N -1 0 349.390 3.770 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccc(N2CCCC2)c(F)c1 ZINC000741649093 1131629492 /nfs/dbraw/zinc/62/94/92/1131629492.db2.gz NLTVXIJDGOGPPO-UHFFFAOYSA-N -1 0 340.445 3.597 20 0 EHADRM CCC(CC)(CNC(=O)c1n[n-]c2ccccc2c1=O)c1ccccc1 ZINC000742852969 1131806136 /nfs/dbraw/zinc/80/61/36/1131806136.db2.gz QDNCJWXFPNAJQC-UHFFFAOYSA-N -1 0 349.434 3.823 20 0 EHADRM Cc1nnc(-c2ccc(NC(=O)c3c([O-])cccc3Cl)cc2)o1 ZINC000743478440 1131924752 /nfs/dbraw/zinc/92/47/52/1131924752.db2.gz XNLZSNPBAWACFZ-UHFFFAOYSA-N -1 0 329.743 3.656 20 0 EHADRM CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000744097810 1132022429 /nfs/dbraw/zinc/02/24/29/1132022429.db2.gz ZPGFJBDPWZOUOU-AWEZNQCLSA-N -1 0 348.468 3.646 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)C(C)(C)c1ccc2ccccc2c1 ZINC000744136400 1132027476 /nfs/dbraw/zinc/02/74/76/1132027476.db2.gz DXMUOAIEDJQUGI-UHFFFAOYSA-N -1 0 347.480 3.752 20 0 EHADRM Cc1c(=O)[n-]n(-c2ccccc2)c1NC1Cc2cc(F)c(F)cc2C1 ZINC001173480433 1132075367 /nfs/dbraw/zinc/07/53/67/1132075367.db2.gz WNOIRXKAAUGFMQ-UHFFFAOYSA-N -1 0 341.361 3.744 20 0 EHADRM COc1ccc(Nc2ccc3ccccc3c2S(=O)(=O)[O-])cc1F ZINC001173866010 1132158653 /nfs/dbraw/zinc/15/86/53/1132158653.db2.gz WOOQHMYLIGHUIJ-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM O=S(=O)([O-])c1ccc(Cl)c(Nc2cnc3ccccc3c2)c1 ZINC001174003270 1132199838 /nfs/dbraw/zinc/19/98/38/1132199838.db2.gz JBFWTKUOXLTDKE-UHFFFAOYSA-N -1 0 334.784 3.879 20 0 EHADRM O=S(=O)([O-])c1ccc2c(cccc2Nc2ccc3c(c2)CCO3)c1 ZINC001174011339 1132203199 /nfs/dbraw/zinc/20/31/99/1132203199.db2.gz CEMXRLFFNASRJD-UHFFFAOYSA-N -1 0 341.388 3.765 20 0 EHADRM COc1ccc(Nc2cc(Cl)c(C)cc2S(=O)(=O)[O-])c(C)c1 ZINC001174023238 1132217072 /nfs/dbraw/zinc/21/70/72/1132217072.db2.gz ABEFVIOFVXWYLO-UHFFFAOYSA-N -1 0 341.816 3.956 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cn2)cc1 ZINC000182751277 1132283820 /nfs/dbraw/zinc/28/38/20/1132283820.db2.gz CSURSAINBQOZMJ-UHFFFAOYSA-N -1 0 348.371 3.623 20 0 EHADRM O=S(=O)(c1ccc(Nc2ccccc2[S-])cc1)N1CCCC1 ZINC001174253579 1132285522 /nfs/dbraw/zinc/28/55/22/1132285522.db2.gz FTNOMFHLBUANLM-UHFFFAOYSA-N -1 0 334.466 3.503 20 0 EHADRM CC(C)(C)OC(=O)c1c([N-]c2cncnc2)onc1-c1ccccc1 ZINC001174385354 1132344838 /nfs/dbraw/zinc/34/48/38/1132344838.db2.gz LOUSUQHYAFPWGI-UHFFFAOYSA-N -1 0 338.367 3.831 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2ccc3nc(C4CCC4)nn3c2)c1 ZINC001174496971 1132372038 /nfs/dbraw/zinc/37/20/38/1132372038.db2.gz XGQUAXCXOLBKJD-JXMROGBWSA-N -1 0 334.379 3.838 20 0 EHADRM COc1ccnc(Br)c1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174495607 1132372065 /nfs/dbraw/zinc/37/20/65/1132372065.db2.gz RASYEMYPPFJMIL-AATRIKPKSA-N -1 0 349.184 3.694 20 0 EHADRM CN1Cc2cc(Nc3cccc(/C=C/C(=O)[O-])c3)ccc2N(C)C1=O ZINC001174497357 1132373458 /nfs/dbraw/zinc/37/34/58/1132373458.db2.gz NUPKWRPNFRGNOG-RMKNXTFCSA-N -1 0 337.379 3.530 20 0 EHADRM CC[C@@H](Cc1ccccc1)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000746210615 1132392319 /nfs/dbraw/zinc/39/23/19/1132392319.db2.gz QIUJMCHUBQCNBZ-AWEZNQCLSA-N -1 0 326.421 3.868 20 0 EHADRM COC(=O)Cc1ccc(Cl)c(Nc2ccc(C(=O)[O-])cc2OC)c1 ZINC001174675480 1132432743 /nfs/dbraw/zinc/43/27/43/1132432743.db2.gz LTOJSUYMXMVAIQ-UHFFFAOYSA-N -1 0 349.770 3.506 20 0 EHADRM Cc1ccc(CC[C@H](C)NC(=O)c2ccc3[n-]c(=S)oc3c2)o1 ZINC000746317699 1132433453 /nfs/dbraw/zinc/43/34/53/1132433453.db2.gz XYAPUDJPLUAEET-JTQLQIEISA-N -1 0 330.409 3.769 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc(-c2cnco2)c(OC)c1 ZINC001174676443 1132434152 /nfs/dbraw/zinc/43/41/52/1132434152.db2.gz KBGQZVUYYVQECU-UHFFFAOYSA-N -1 0 340.335 3.801 20 0 EHADRM COc1cc(Nc2ccc(Oc3ncccn3)cc2)ccc1C(=O)[O-] ZINC001174685312 1132436053 /nfs/dbraw/zinc/43/60/53/1132436053.db2.gz QDEGQFOZJZHCKR-UHFFFAOYSA-N -1 0 337.335 3.719 20 0 EHADRM CCOc1ccc(Nc2ccc(C(=O)[O-])c(OC)c2)cc1OCC ZINC001174686425 1132436392 /nfs/dbraw/zinc/43/63/92/1132436392.db2.gz CLVCFFOUQZTETG-UHFFFAOYSA-N -1 0 331.368 3.934 20 0 EHADRM COc1cc(Nc2ccc(C(=O)[O-])s2)ccc1-n1cnc(C)c1 ZINC001174806498 1132477765 /nfs/dbraw/zinc/47/77/65/1132477765.db2.gz DECKEFNVGMGZMY-UHFFFAOYSA-N -1 0 329.381 3.693 20 0 EHADRM COc1ccc(Br)c(Nc2ccc(C(=O)[O-])s2)c1 ZINC001174808155 1132479134 /nfs/dbraw/zinc/47/91/34/1132479134.db2.gz RUVNUUVBUMFFRY-UHFFFAOYSA-N -1 0 328.187 3.961 20 0 EHADRM Nc1cc2c(ccn2-c2ccc(C(=O)[O-])s2)c(Br)c1 ZINC001174807256 1132479157 /nfs/dbraw/zinc/47/91/57/1132479157.db2.gz HLCNDZAKBJELPE-UHFFFAOYSA-N -1 0 337.198 3.735 20 0 EHADRM COc1ccc(Cn2nc(C)cc2Nc2ccc(C(=O)[O-])s2)cc1 ZINC001174809061 1132479184 /nfs/dbraw/zinc/47/91/84/1132479184.db2.gz XCCXJRJVRRDBFD-UHFFFAOYSA-N -1 0 343.408 3.752 20 0 EHADRM Cc1ccc(F)cc1Nc1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1 ZINC001174883710 1132481315 /nfs/dbraw/zinc/48/13/15/1132481315.db2.gz BXBQIRPOYZNUFS-UHFFFAOYSA-N -1 0 347.367 3.983 20 0 EHADRM CC(C)(CC(=O)Nc1cccc(OCc2ccccc2)c1)C(=O)[O-] ZINC000379750816 1132505063 /nfs/dbraw/zinc/50/50/63/1132505063.db2.gz LLUWTELTDGRXCN-UHFFFAOYSA-N -1 0 327.380 3.705 20 0 EHADRM O=C([O-])Cc1ccc(Nc2cnc(Cl)c(Br)c2)cc1 ZINC001174950420 1132516327 /nfs/dbraw/zinc/51/63/27/1132516327.db2.gz WFFYMWTZLONIBQ-UHFFFAOYSA-N -1 0 341.592 3.868 20 0 EHADRM O=C([O-])Cc1ccc(Nc2cc(-c3ccc(F)c(F)c3)no2)cc1 ZINC001174950249 1132516642 /nfs/dbraw/zinc/51/66/42/1132516642.db2.gz SYHFZVHZWRTUBD-UHFFFAOYSA-N -1 0 330.290 3.991 20 0 EHADRM COc1ccc(Br)cc1Nc1ccc(CC(=O)[O-])cc1 ZINC001174952190 1132516718 /nfs/dbraw/zinc/51/67/18/1132516718.db2.gz NEQYIUCTGZEMJC-UHFFFAOYSA-N -1 0 336.185 3.828 20 0 EHADRM O=C([O-])Cc1ccc(Nc2cn3cc(C(F)(F)F)ccc3n2)cc1 ZINC001174952144 1132516875 /nfs/dbraw/zinc/51/68/75/1132516875.db2.gz VDRMVWHYOACDPD-UHFFFAOYSA-N -1 0 335.285 3.724 20 0 EHADRM CNc1ccc(Br)cc1Nc1ccc(CC(=O)[O-])cc1 ZINC001174956881 1132518050 /nfs/dbraw/zinc/51/80/50/1132518050.db2.gz RTPFHXSIDDBEMG-UHFFFAOYSA-N -1 0 335.201 3.862 20 0 EHADRM CN(C)c1cccc(Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)c1 ZINC001174963791 1132521085 /nfs/dbraw/zinc/52/10/85/1132521085.db2.gz RJPGJWPBMCSKDS-UHFFFAOYSA-N -1 0 342.420 3.896 20 0 EHADRM CCOc1cc(F)cc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)c1 ZINC001175006130 1132527768 /nfs/dbraw/zinc/52/77/68/1132527768.db2.gz WRBCYMZHVAUYKK-UHFFFAOYSA-N -1 0 345.779 3.868 20 0 EHADRM COc1cc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])ccc1C ZINC001175016093 1132529836 /nfs/dbraw/zinc/52/98/36/1132529836.db2.gz NJPYNBLCXISJGG-UHFFFAOYSA-N -1 0 327.789 3.647 20 0 EHADRM COc1cc(Nc2cc(C(=O)[O-])ccc2C)ncc1C(F)(F)F ZINC001174981812 1132533718 /nfs/dbraw/zinc/53/37/18/1132533718.db2.gz IYJRLDZDDUKJHB-UHFFFAOYSA-N -1 0 326.274 3.859 20 0 EHADRM COC(=O)[C@@H]1CCc2cc(Nc3cc(C(=O)[O-])ccc3C)ccc21 ZINC001174986544 1132536575 /nfs/dbraw/zinc/53/65/75/1132536575.db2.gz QQAGJXWXXYBXLV-MRXNPFEDSA-N -1 0 325.364 3.640 20 0 EHADRM Cc1cc(Nc2ccc(C(=O)[O-])c(F)c2)n(-c2ccc(F)cc2)n1 ZINC001175154112 1132568995 /nfs/dbraw/zinc/56/89/95/1132568995.db2.gz DKTBGYHKGLDQKN-UHFFFAOYSA-N -1 0 329.306 3.901 20 0 EHADRM Cc1nc(Nc2ccc(C(=O)[O-])c(F)c2)ccc1Br ZINC001175155340 1132569751 /nfs/dbraw/zinc/56/97/51/1132569751.db2.gz RNNAIDQPAKYMBA-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(Br)ncc2F)cc1F ZINC001175161757 1132569780 /nfs/dbraw/zinc/56/97/80/1132569780.db2.gz SUNDQJYUURDGNV-UHFFFAOYSA-N -1 0 329.100 3.564 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(Br)cc2CO)cc1F ZINC001175158875 1132570734 /nfs/dbraw/zinc/57/07/34/1132570734.db2.gz ZPNXCNJOPIEOSX-UHFFFAOYSA-N -1 0 340.148 3.522 20 0 EHADRM Nc1cc(F)c(Br)cc1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175160815 1132571630 /nfs/dbraw/zinc/57/16/30/1132571630.db2.gz UDABPEMEFGZTLD-UHFFFAOYSA-N -1 0 343.127 3.751 20 0 EHADRM Nc1ccc2c(c1)c(-c1ccncc1)nn2-c1ccc(C(=O)[O-])c(F)c1 ZINC001175162411 1132586649 /nfs/dbraw/zinc/58/66/49/1132586649.db2.gz YWOQJQYQKFTHLQ-UHFFFAOYSA-N -1 0 348.337 3.507 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(-c3ccccn3)c[nH]c2=O)cc1Cl ZINC001175314177 1132634749 /nfs/dbraw/zinc/63/47/49/1132634749.db2.gz FIGHUQXGHSKMCY-UHFFFAOYSA-N -1 0 341.754 3.944 20 0 EHADRM O=C([O-])c1ccc(Nc2cccnc2Br)cc1Cl ZINC001175313419 1132635052 /nfs/dbraw/zinc/63/50/52/1132635052.db2.gz CDXVKYXPHGEUMF-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM Nc1cc(C(F)(F)F)ncc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175315253 1132635974 /nfs/dbraw/zinc/63/59/74/1132635974.db2.gz BRZHVYJUQWPZDT-UHFFFAOYSA-N -1 0 331.681 3.778 20 0 EHADRM O=C([O-])c1ccc(Nc2c[nH]c(=O)c(C(F)(F)F)c2)cc1Cl ZINC001175316518 1132636035 /nfs/dbraw/zinc/63/60/35/1132636035.db2.gz WKXLISIYEAMBEI-UHFFFAOYSA-N -1 0 332.665 3.901 20 0 EHADRM C[C@H]1Cc2cc(Nc3ccc(C(=O)[O-])c(Cl)c3)ccc2N(C)C1=O ZINC001175321587 1132637685 /nfs/dbraw/zinc/63/76/85/1132637685.db2.gz WIEISBVBBQDFNJ-JTQLQIEISA-N -1 0 344.798 3.937 20 0 EHADRM Cc1ccc(Nc2ccc3c(O)cc(S(=O)(=O)[O-])cc3c2)c(F)c1 ZINC001175326560 1132638887 /nfs/dbraw/zinc/63/88/87/1132638887.db2.gz SZHWFNOKOUFGLU-UHFFFAOYSA-N -1 0 347.367 3.983 20 0 EHADRM O=C([O-])c1cccc(Nc2ccc3nnc(-c4cccc(F)c4)n3c2)c1 ZINC001175331262 1132640866 /nfs/dbraw/zinc/64/08/66/1132640866.db2.gz VMSPFEWDGBJUBG-UHFFFAOYSA-N -1 0 348.337 3.977 20 0 EHADRM Cn1nc(Br)c2ccc(Nc3cccc(C(=O)[O-])c3)cc21 ZINC001175330356 1132641059 /nfs/dbraw/zinc/64/10/59/1132641059.db2.gz FFMVKSQNXBDEMP-UHFFFAOYSA-N -1 0 346.184 3.778 20 0 EHADRM O=C(Nc1nc2c(cc(Cl)cc2Cl)[nH]1)c1c([O-])cccc1F ZINC001169190011 1132688169 /nfs/dbraw/zinc/68/81/69/1132688169.db2.gz QOROVUQJUOCCQP-UHFFFAOYSA-N -1 0 340.141 3.967 20 0 EHADRM COc1cc(C)c(Nc2cncc(C(=O)[O-])c2)cc1Br ZINC001175843090 1132773745 /nfs/dbraw/zinc/77/37/45/1132773745.db2.gz KCDOVZGBEXEHIJ-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM COc1cncc(CCC(=O)Nc2c(Cl)ccc([O-])c2Cl)c1 ZINC001175815822 1132776868 /nfs/dbraw/zinc/77/68/68/1132776868.db2.gz CQXPAYYPYWOVDE-UHFFFAOYSA-N -1 0 341.194 3.674 20 0 EHADRM CCOC(=O)c1nc(NC(=O)c2cccc(-c3cccc(C)c3)c2)c[nH]1 ZINC001169881197 1132878335 /nfs/dbraw/zinc/87/83/35/1132878335.db2.gz NMYMQWKCXQTPCQ-UHFFFAOYSA-N -1 0 349.390 3.814 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C\C(=O)N(CCC(=O)[O-])CC(C)C ZINC000766908397 1132912703 /nfs/dbraw/zinc/91/27/03/1132912703.db2.gz MPZIHBDIYZLNPS-BLIJAFNYSA-N -1 0 347.455 3.836 20 0 EHADRM CCCCC[C@@H](C)CC(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC000767041401 1132938288 /nfs/dbraw/zinc/93/82/88/1132938288.db2.gz ILHNTPVOJYMSGV-GFCCVEGCSA-N -1 0 337.416 3.947 20 0 EHADRM CN(C(=O)c1ccc2[n-]c(=S)oc2c1)c1cccc2cccnc21 ZINC000767062944 1132939832 /nfs/dbraw/zinc/93/98/32/1132939832.db2.gz DZTRQVKTFTVFCW-UHFFFAOYSA-N -1 0 335.388 3.941 20 0 EHADRM C/C(=C/C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1)c1cccc(F)c1 ZINC000767087899 1132946871 /nfs/dbraw/zinc/94/68/71/1132946871.db2.gz HWLBUKBXQZJURQ-BXUXAFCHSA-N -1 0 325.339 3.966 20 0 EHADRM O=C([O-])[C@@H](CC(=O)NCC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000767086313 1132946941 /nfs/dbraw/zinc/94/69/41/1132946941.db2.gz QWQYTZXIVSOKPO-CARYKQCGSA-N -1 0 341.451 3.578 20 0 EHADRM O=C([O-])CCCCNC(=O)/C(=C\c1ccc(F)cc1)c1cccs1 ZINC000767137452 1132956130 /nfs/dbraw/zinc/95/61/30/1132956130.db2.gz IKEOQZLFCYKJQH-QINSGFPZSA-N -1 0 347.411 3.799 20 0 EHADRM C/C(=C/C(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1)c1ccccc1 ZINC000767137846 1132956281 /nfs/dbraw/zinc/95/62/81/1132956281.db2.gz KFWFDTGYCQETBS-KAMYIIQDSA-N -1 0 334.375 3.768 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)c1 ZINC000767179912 1132958538 /nfs/dbraw/zinc/95/85/38/1132958538.db2.gz JQGPCTHZAUXXKM-LSDHHAIUSA-N -1 0 333.746 3.920 20 0 EHADRM COc1ccc(O)cc1Nc1ccc2ccccc2c1S(=O)(=O)[O-] ZINC001176580299 1132959907 /nfs/dbraw/zinc/95/99/07/1132959907.db2.gz QUEBQTWJRKCAOG-UHFFFAOYSA-N -1 0 345.376 3.544 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3ccnn3-c3cccc(F)c3)cc2)CC1 ZINC001176586463 1132960940 /nfs/dbraw/zinc/96/09/40/1132960940.db2.gz IEYZXCUGFHWWFS-UHFFFAOYSA-N -1 0 337.354 3.871 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3ccc4nnc(C5CCC5)n4c3)cc2)CC1 ZINC001176587245 1132960977 /nfs/dbraw/zinc/96/09/77/1132960977.db2.gz VWYJBNVPVISDLR-UHFFFAOYSA-N -1 0 348.406 3.857 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3c[nH]c(C(F)(F)F)cc3=O)cc2)CC1 ZINC001176584793 1132961056 /nfs/dbraw/zinc/96/10/56/1132961056.db2.gz QJNKZFOWJJDIHQ-UHFFFAOYSA-N -1 0 338.285 3.666 20 0 EHADRM Nc1cc(C(F)(F)F)ncc1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176585002 1132961068 /nfs/dbraw/zinc/96/10/68/1132961068.db2.gz XGUDDAKNUXWYOE-UHFFFAOYSA-N -1 0 337.301 3.542 20 0 EHADRM COc1ccc(Br)c(Nc2ccc(/C=C/C(=O)[O-])cc2)n1 ZINC001176590115 1132962747 /nfs/dbraw/zinc/96/27/47/1132962747.db2.gz RNUHZPFOXYEKIA-RUDMXATFSA-N -1 0 349.184 3.694 20 0 EHADRM CCOC(=O)Cc1ccc(F)c(Nc2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC001176597497 1132976452 /nfs/dbraw/zinc/97/64/52/1132976452.db2.gz RFCJNCPKPRFEFF-UXBLZVDNSA-N -1 0 343.354 3.773 20 0 EHADRM CC(C)(C)OC(=O)Nc1cc(Nc2ccc(C(=O)[O-])cc2)ccn1 ZINC001176707525 1132994226 /nfs/dbraw/zinc/99/42/26/1132994226.db2.gz JBLWPCODMAEQAJ-UHFFFAOYSA-N -1 0 329.356 3.870 20 0 EHADRM O=C([O-])c1ccc(Nc2cncc(Br)c2Cl)cc1 ZINC001176711649 1132995198 /nfs/dbraw/zinc/99/51/98/1132995198.db2.gz RHCXNESQCHIVHO-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM COc1cc(S(=O)(=O)[N-]c2ccccc2C(C)C)cnc1Cl ZINC000767440127 1133002567 /nfs/dbraw/zinc/00/25/67/1133002567.db2.gz SNWDRMPPJVICGH-UHFFFAOYSA-N -1 0 340.832 3.668 20 0 EHADRM CCC(CC)(CC)C(=O)[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC000767570159 1133020852 /nfs/dbraw/zinc/02/08/52/1133020852.db2.gz PLJZHWICCWHAJG-UHFFFAOYSA-N -1 0 331.865 3.670 20 0 EHADRM O=C(Cc1csc(-c2cccs2)n1)[N-]Oc1ccccc1F ZINC001177105714 1133031884 /nfs/dbraw/zinc/03/18/84/1133031884.db2.gz RGRRRIURGGTXRV-UHFFFAOYSA-N -1 0 334.397 3.663 20 0 EHADRM CCC(C)(CC)C(=O)[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000767954732 1133076758 /nfs/dbraw/zinc/07/67/58/1133076758.db2.gz OIYNFZFKRTZBTP-UHFFFAOYSA-N -1 0 325.474 3.551 20 0 EHADRM Cc1oc2ccccc2c1C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1 ZINC000767989236 1133079180 /nfs/dbraw/zinc/07/91/80/1133079180.db2.gz DBEDKVKZWOFTGF-CYBMUJFWSA-N -1 0 343.404 3.562 20 0 EHADRM CC(=O)c1cc(F)c([O-])c(NC(=O)Cc2ccc(F)cc2Cl)c1 ZINC001178433972 1133163571 /nfs/dbraw/zinc/16/35/71/1133163571.db2.gz ZFDMBWZSUFDDTM-UHFFFAOYSA-N -1 0 339.725 3.708 20 0 EHADRM C[C@@H](CC1CCCCC1)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000262250978 1133229630 /nfs/dbraw/zinc/22/96/30/1133229630.db2.gz VMUYOUNWYTYEHK-KSSFIOAISA-N -1 0 329.440 3.804 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000769245174 1133250413 /nfs/dbraw/zinc/25/04/13/1133250413.db2.gz DENROCVSJBPTIO-CQSZACIVSA-N -1 0 346.795 3.712 20 0 EHADRM Cc1noc(C(F)(F)F)c1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000769246197 1133250804 /nfs/dbraw/zinc/25/08/04/1133250804.db2.gz UDJLFEBYVQOPHE-UHFFFAOYSA-N -1 0 343.286 3.684 20 0 EHADRM CCO[C@H](C)c1ncc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)s1 ZINC000769248421 1133251259 /nfs/dbraw/zinc/25/12/59/1133251259.db2.gz GHCRSYAZBGVGHZ-MRVPVSSYSA-N -1 0 349.437 3.923 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cc(-c3cccc(F)c3)ccn2)CCCCC1 ZINC001180433774 1133369482 /nfs/dbraw/zinc/36/94/82/1133369482.db2.gz DQVRPQLINSETGF-UHFFFAOYSA-N -1 0 342.370 3.861 20 0 EHADRM CNc1ccc(C(F)(F)F)cc1NC(=O)C1(C(=O)[O-])CCCCC1 ZINC001180436756 1133369843 /nfs/dbraw/zinc/36/98/43/1133369843.db2.gz SQCJZAOUAMZBHQ-UHFFFAOYSA-N -1 0 344.333 3.721 20 0 EHADRM C[C@@H]1CC=CC[C@H]1NC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC001180463764 1133378426 /nfs/dbraw/zinc/37/84/26/1133378426.db2.gz URKABDYYPQEUGS-MLGOLLRUSA-N -1 0 325.364 3.549 20 0 EHADRM C[C@H](NC(=O)c1ccc2ccccc2c1O)[C@@H](O)c1ccc(F)cc1 ZINC000770039239 1133380717 /nfs/dbraw/zinc/38/07/17/1133380717.db2.gz RMDUPLAMEDTGLP-KPZWWZAWSA-N -1 0 339.366 3.536 20 0 EHADRM Cc1cccc(C)c1N1C[C@H](C(=O)Nc2ccccc2[S-])CC1=O ZINC001180675003 1133406150 /nfs/dbraw/zinc/40/61/50/1133406150.db2.gz YKEWEKRBCQFOKN-CQSZACIVSA-N -1 0 340.448 3.584 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)c2cc(O)ccc2Cl)c(OC)c1 ZINC001180946727 1133434040 /nfs/dbraw/zinc/43/40/40/1133434040.db2.gz KTEATNLDUBSDSM-SNVBAGLBSA-N -1 0 335.787 3.554 20 0 EHADRM CC(C)(C)OC(=O)N1[C@H]2CC[C@H](C2)[C@H]1C(=O)Nc1ccccc1[S-] ZINC001181246189 1133467725 /nfs/dbraw/zinc/46/77/25/1133467725.db2.gz QFVYQRFDJNAAIH-XUJVJEKNSA-N -1 0 348.468 3.702 20 0 EHADRM CC[C@H](CC(C)C)C(=O)Nc1c(C)cc(C)cc1S(=O)(=O)[O-] ZINC001181832095 1133538354 /nfs/dbraw/zinc/53/83/54/1133538354.db2.gz NPBMGJRPRIPSJX-CYBMUJFWSA-N -1 0 327.446 3.561 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1cc2ccccc2oc1=O ZINC000771505485 1133567204 /nfs/dbraw/zinc/56/72/04/1133567204.db2.gz PGVDVTGDIFKZSF-UHFFFAOYSA-N -1 0 333.702 3.543 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])C1=NO[C@@H](c2ccccc2)C1 ZINC000771504714 1133567449 /nfs/dbraw/zinc/56/74/49/1133567449.db2.gz LRTPLXFBLBKIPY-CQSZACIVSA-N -1 0 334.734 3.641 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1Cc2ccccc2C(F)(F)C1 ZINC000771787789 1133595602 /nfs/dbraw/zinc/59/56/02/1133595602.db2.gz USPBINCYONHEQQ-UHFFFAOYSA-N -1 0 346.358 3.864 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000772141422 1133647551 /nfs/dbraw/zinc/64/75/51/1133647551.db2.gz ZGDQDMRPJCNIOC-ZDUSSCGKSA-N -1 0 349.789 3.868 20 0 EHADRM O=C(Nc1cc(-c2cccc(Cl)c2)[nH]n1)c1c([O-])cccc1F ZINC001182492084 1133695699 /nfs/dbraw/zinc/69/56/99/1133695699.db2.gz ZELYZHLMDFFNQY-UHFFFAOYSA-N -1 0 331.734 3.827 20 0 EHADRM COC(=O)CC(C)(C)C(=O)Nc1cc(Cl)c(C)c(Cl)c1[O-] ZINC001182611539 1133710670 /nfs/dbraw/zinc/71/06/70/1133710670.db2.gz IIXJSQKBTPYJNJ-UHFFFAOYSA-N -1 0 334.199 3.535 20 0 EHADRM CO[C@@H]1CCOc2c(Nc3cc(F)c(C(=O)[O-])c(F)c3)cccc21 ZINC001203331689 1133737261 /nfs/dbraw/zinc/73/72/61/1133737261.db2.gz GREMKWNWRJOVCB-CQSZACIVSA-N -1 0 335.306 3.877 20 0 EHADRM CCc1nocc1C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC001183101538 1133769438 /nfs/dbraw/zinc/76/94/38/1133769438.db2.gz DLWHLEMSQAAXJA-UHFFFAOYSA-N -1 0 345.580 3.611 20 0 EHADRM Cc1c2ccccc2sc1CC(=O)Nc1cc(=O)[n-]c(Cl)n1 ZINC001183241099 1133784722 /nfs/dbraw/zinc/78/47/22/1133784722.db2.gz HIEVYXJHVXVBDE-UHFFFAOYSA-N -1 0 333.800 3.540 20 0 EHADRM Cc1cc(C)c(CNC(=O)c2c([O-])cc(Cl)cc2Cl)cn1 ZINC001183694928 1133842686 /nfs/dbraw/zinc/84/26/86/1133842686.db2.gz STCDDYXWEIXKLG-UHFFFAOYSA-N -1 0 325.195 3.641 20 0 EHADRM CCCC(CCC)C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000787000289 1133932897 /nfs/dbraw/zinc/93/28/97/1133932897.db2.gz MTKGTKIUUSGDRE-UHFFFAOYSA-N -1 0 349.855 3.642 20 0 EHADRM CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1[O-] ZINC001184656319 1133973600 /nfs/dbraw/zinc/97/36/00/1133973600.db2.gz CTFOQNPZOUHLGM-UHFFFAOYSA-N -1 0 346.235 3.520 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)Cc2cc(F)cc(F)c2)sn1 ZINC001185097245 1134028435 /nfs/dbraw/zinc/02/84/35/1134028435.db2.gz YYXNVWDCQXONMB-UHFFFAOYSA-N -1 0 346.424 3.661 20 0 EHADRM Cc1noc(C)c1NC(=O)Nc1ccc(Br)cc1[S-] ZINC001185182760 1134045645 /nfs/dbraw/zinc/04/56/45/1134045645.db2.gz CRFCJDRLNPYMIU-UHFFFAOYSA-N -1 0 342.218 3.987 20 0 EHADRM Cc1ccc(F)c(NC(=O)Nc2ncc(Br)cc2[O-])c1 ZINC001185220417 1134051864 /nfs/dbraw/zinc/05/18/64/1134051864.db2.gz ASVHSRXPWKPHAZ-UHFFFAOYSA-N -1 0 340.152 3.641 20 0 EHADRM O=S(=O)([N-]c1nc2cccc(Cl)c2s1)c1ccsc1 ZINC001185341749 1134074789 /nfs/dbraw/zinc/07/47/89/1134074789.db2.gz GDNKYMDBWHHDHB-UHFFFAOYSA-N -1 0 330.843 3.812 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)COc1ccc2c(c1)CCC2 ZINC000788088936 1134079262 /nfs/dbraw/zinc/07/92/62/1134079262.db2.gz RWIWOQPLMOECST-UHFFFAOYSA-N -1 0 339.391 3.508 20 0 EHADRM Cc1c(=O)[n-]n(-c2ccccc2)c1NC(=O)NCc1ccc(C)cc1 ZINC001185429221 1134084340 /nfs/dbraw/zinc/08/43/40/1134084340.db2.gz VBGCOWCOYXXYNZ-UHFFFAOYSA-N -1 0 336.395 3.516 20 0 EHADRM O=C(C=C([O-])c1ccccc1Cl)N1CCC(c2ccccn2)CC1 ZINC001185429540 1134084474 /nfs/dbraw/zinc/08/44/74/1134084474.db2.gz UDUBNCDGSDLUKV-UHFFFAOYSA-N -1 0 342.826 3.714 20 0 EHADRM O=C(C=C([O-])c1ccccc1Cl)N1CCC[C@H]1c1nccs1 ZINC001185435228 1134086139 /nfs/dbraw/zinc/08/61/39/1134086139.db2.gz LGRFWZUPDPRCNB-ZDUSSCGKSA-N -1 0 334.828 3.733 20 0 EHADRM O=C(C=C([O-])c1ccccc1Cl)N[C@H]1CCCc2cnccc21 ZINC001185443544 1134086786 /nfs/dbraw/zinc/08/67/86/1134086786.db2.gz AGJNTINVTXFTDL-INIZCTEOSA-N -1 0 328.799 3.502 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)nc2)ccc1Cl ZINC001185496220 1134099452 /nfs/dbraw/zinc/09/94/52/1134099452.db2.gz HZKZESWPRMGBIM-UHFFFAOYSA-N -1 0 340.832 3.631 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1nc2cc(Cl)ccc2o1 ZINC001185790430 1134134284 /nfs/dbraw/zinc/13/42/84/1134134284.db2.gz CNGKWTSJCRVTBO-UHFFFAOYSA-N -1 0 340.763 3.730 20 0 EHADRM CCCCC[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(F)c1F)C(C)C ZINC000775006743 1134203745 /nfs/dbraw/zinc/20/37/45/1134203745.db2.gz XKPXPAMBVCLSQZ-GFCCVEGCSA-N -1 0 347.427 3.622 20 0 EHADRM O=S(=O)([N-]c1nc2c(s1)CCC2)c1csc2ccccc12 ZINC001186452367 1134214558 /nfs/dbraw/zinc/21/45/58/1134214558.db2.gz SJDBXILNCNTNRI-UHFFFAOYSA-N -1 0 336.463 3.647 20 0 EHADRM Cn1cc2c(cccc2[N-]S(=O)(=O)c2csc3ccccc32)n1 ZINC001186496008 1134222959 /nfs/dbraw/zinc/22/29/59/1134222959.db2.gz ZPXVVWXSGLPHFI-UHFFFAOYSA-N -1 0 343.433 3.589 20 0 EHADRM O=S(=O)([N-]c1cccc(OCc2ccccc2)c1)c1ccco1 ZINC001186797250 1134259046 /nfs/dbraw/zinc/25/90/46/1134259046.db2.gz JIONKTZMEQWFCM-UHFFFAOYSA-N -1 0 329.377 3.659 20 0 EHADRM O=C(NCc1ccc(C(F)(F)F)cc1)Nc1ccc(F)cc1O ZINC001186810727 1134260860 /nfs/dbraw/zinc/26/08/60/1134260860.db2.gz ZBZJDLWTIWCAMF-UHFFFAOYSA-N -1 0 328.265 3.872 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)c(F)c(Cl)c1F)c1ccco1 ZINC001186855905 1134269525 /nfs/dbraw/zinc/26/95/25/1134269525.db2.gz HOERTWLWODKXON-UHFFFAOYSA-N -1 0 328.123 3.665 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)ccc1OC(F)(F)F)c1ccco1 ZINC001186856765 1134269692 /nfs/dbraw/zinc/26/96/92/1134269692.db2.gz XNLZQUPGPPPKEQ-UHFFFAOYSA-N -1 0 341.694 3.632 20 0 EHADRM COc1ccc(-c2ccc([N-]S(=O)(=O)c3ccco3)cc2)cc1 ZINC001186855747 1134269753 /nfs/dbraw/zinc/26/97/53/1134269753.db2.gz DAWOLWDNFDVXJN-UHFFFAOYSA-N -1 0 329.377 3.756 20 0 EHADRM Cc1ncc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)s1 ZINC001187044572 1134287680 /nfs/dbraw/zinc/28/76/80/1134287680.db2.gz VUKFCSKYFLYCOJ-UHFFFAOYSA-N -1 0 337.253 3.700 20 0 EHADRM O=S(=O)([N-]c1cc2ccccc2cn1)c1cc2c(s1)CCCC2 ZINC001187181145 1134306214 /nfs/dbraw/zinc/30/62/14/1134306214.db2.gz MPMICGHFYYIOAE-UHFFFAOYSA-N -1 0 344.461 3.976 20 0 EHADRM CCOC(=O)c1ccc(NC(=O)Nc2cc(O)cc(Cl)c2)cc1 ZINC001187282166 1134319429 /nfs/dbraw/zinc/31/94/29/1134319429.db2.gz GNIQQFDTKXSIKU-UHFFFAOYSA-N -1 0 334.759 3.866 20 0 EHADRM Cc1oncc1S(=O)(=O)[N-]c1cccc(-c2cccc(F)c2)c1 ZINC001187370842 1134327719 /nfs/dbraw/zinc/32/77/19/1134327719.db2.gz MMMSXGXNRPPSTP-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM Cc1oncc1S(=O)(=O)[N-]c1ccc(CCc2ccccc2)cc1 ZINC001187368685 1134327960 /nfs/dbraw/zinc/32/79/60/1134327960.db2.gz JZRQRZPSZFHUQF-UHFFFAOYSA-N -1 0 342.420 3.569 20 0 EHADRM Cc1cccc(C)c1Oc1ccc([N-]S(=O)(=O)c2c[nH]cn2)cc1 ZINC001187771779 1134376683 /nfs/dbraw/zinc/37/66/83/1134376683.db2.gz ITUZLZLBTIPIHI-UHFFFAOYSA-N -1 0 343.408 3.620 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1nccs1 ZINC001187847658 1134389708 /nfs/dbraw/zinc/38/97/08/1134389708.db2.gz LLNALSDZKKAZJL-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1Cl)c1nccs1 ZINC001187891830 1134399455 /nfs/dbraw/zinc/39/94/55/1134399455.db2.gz PYXMMVWPHMRBNX-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM CC(C)c1cncc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c1 ZINC001187933877 1134401762 /nfs/dbraw/zinc/40/17/62/1134401762.db2.gz NSWROAHEPRVING-UHFFFAOYSA-N -1 0 346.239 3.708 20 0 EHADRM Cc1ccc([C@@H](C)C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)o1 ZINC000746939436 1134450311 /nfs/dbraw/zinc/45/03/11/1134450311.db2.gz YWPNLHXELNFKKQ-LLVKDONJSA-N -1 0 327.302 3.958 20 0 EHADRM CCC(CC)Oc1cccc(F)c1[N-]S(=O)(=O)c1ccoc1 ZINC001188614077 1134482455 /nfs/dbraw/zinc/48/24/55/1134482455.db2.gz GFEBNPRCSWRBKG-UHFFFAOYSA-N -1 0 327.377 3.787 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)c(Cl)c(Cl)c1O)c1ccoc1 ZINC001188618130 1134483137 /nfs/dbraw/zinc/48/31/37/1134483137.db2.gz WTYKQUXCZFWXEF-UHFFFAOYSA-N -1 0 342.587 3.746 20 0 EHADRM C[C@@H](NC(=O)c1ccc([O-])c(C(F)(F)F)c1)c1cnc2ccccn21 ZINC001188589996 1134485541 /nfs/dbraw/zinc/48/55/41/1134485541.db2.gz YAYLOUVHBFPLJD-SNVBAGLBSA-N -1 0 349.312 3.550 20 0 EHADRM O=C(OCc1ncc(-c2cccc(F)c2)o1)c1c(F)cc([O-])cc1F ZINC000746984708 1134511654 /nfs/dbraw/zinc/51/16/54/1134511654.db2.gz GVCXSBUOPNZHLQ-UHFFFAOYSA-N -1 0 349.264 3.822 20 0 EHADRM O=S(=O)([N-]c1cccc2c1OCC2)c1ccc(F)c2ccccc21 ZINC001189385189 1134577725 /nfs/dbraw/zinc/57/77/25/1134577725.db2.gz HXDSQLNFUVKJEF-UHFFFAOYSA-N -1 0 343.379 3.715 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)cs2)c1 ZINC001189586911 1134604113 /nfs/dbraw/zinc/60/41/13/1134604113.db2.gz NTIJYCPCYIYXAZ-UHFFFAOYSA-N -1 0 338.237 3.864 20 0 EHADRM CCOC(=O)CCCCCNC(=O)Nc1ccc(Cl)cc1[S-] ZINC001189662409 1134613601 /nfs/dbraw/zinc/61/36/01/1134613601.db2.gz RUKLRLUSHHQAGS-UHFFFAOYSA-N -1 0 344.864 3.874 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)CC2CCCCCC2)sc1C ZINC000775290992 1134614350 /nfs/dbraw/zinc/61/43/50/1134614350.db2.gz GSHGNJFIEDGFCD-UHFFFAOYSA-N -1 0 329.487 3.530 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)CCC2CCCCC2)sc1C ZINC000775291739 1134615261 /nfs/dbraw/zinc/61/52/61/1134615261.db2.gz XDQNEKWCWAYDAB-UHFFFAOYSA-N -1 0 329.487 3.530 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)Cc1cc(F)ccc1F ZINC001189696875 1134615346 /nfs/dbraw/zinc/61/53/46/1134615346.db2.gz HDSIPBMTSLYLGG-UHFFFAOYSA-N -1 0 341.379 3.696 20 0 EHADRM O=S(=O)([N-]c1cccc2cc[nH]c21)c1cccc2c1CCCC2 ZINC000775297309 1134620001 /nfs/dbraw/zinc/62/00/01/1134620001.db2.gz KIROHRSUSHSJCB-UHFFFAOYSA-N -1 0 326.421 3.848 20 0 EHADRM Cc1cccc(N)c1NC(=O)c1cc(Br)ccc1[S-] ZINC001189961256 1134642690 /nfs/dbraw/zinc/64/26/90/1134642690.db2.gz MYQJBODFQCKZFG-UHFFFAOYSA-N -1 0 337.242 3.881 20 0 EHADRM Cc1cc(O)cc([N-]S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)c1 ZINC001189984893 1134646473 /nfs/dbraw/zinc/64/64/73/1134646473.db2.gz BREFQCPSZZBPJS-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM Cc1ccc(O)c([N-]S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)c1 ZINC001189982450 1134646628 /nfs/dbraw/zinc/64/66/28/1134646628.db2.gz QVWZZKJIUVBAPI-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM COc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001190216708 1134672067 /nfs/dbraw/zinc/67/20/67/1134672067.db2.gz BEZXPDIONVWOLY-UHFFFAOYSA-N -1 0 349.305 3.654 20 0 EHADRM CCCOc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)cc1 ZINC001190388203 1134689459 /nfs/dbraw/zinc/68/94/59/1134689459.db2.gz QZSAQMGUMAEEAF-UHFFFAOYSA-N -1 0 345.342 3.694 20 0 EHADRM Cc1c(NC(=O)c2cccc(Cl)c2[O-])cccc1NC(=O)N(C)C ZINC000792551463 1134697592 /nfs/dbraw/zinc/69/75/92/1134697592.db2.gz ISBKFEPSIXAEOU-UHFFFAOYSA-N -1 0 347.802 3.700 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cnn3ccccc23)cc1 ZINC001190431719 1134698982 /nfs/dbraw/zinc/69/89/82/1134698982.db2.gz MHXRKZIROAEXKP-UHFFFAOYSA-N -1 0 343.452 3.823 20 0 EHADRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190464238 1134704415 /nfs/dbraw/zinc/70/44/15/1134704415.db2.gz PFZPDWXMIMWPQP-UHFFFAOYSA-N -1 0 335.400 3.903 20 0 EHADRM O=S(=O)([N-]c1cccc2c1OCCC2)c1ccc(C2CC2)cc1 ZINC001190499333 1134715097 /nfs/dbraw/zinc/71/50/97/1134715097.db2.gz BNPXQERCPUNQJY-UHFFFAOYSA-N -1 0 329.421 3.690 20 0 EHADRM CCS(=O)(=O)c1ccc(CNc2cc(F)ccc2[S-])cc1 ZINC001170330465 1134750629 /nfs/dbraw/zinc/75/06/29/1134750629.db2.gz GGRMELDKIXEXAC-UHFFFAOYSA-N -1 0 325.430 3.520 20 0 EHADRM CC(C)OC(=O)Nc1cc(C(=O)Nc2ccccc2[S-])n(C)c1 ZINC001190874220 1134762577 /nfs/dbraw/zinc/76/25/77/1134762577.db2.gz RXNOSZKWUAZETD-UHFFFAOYSA-N -1 0 333.413 3.523 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2ncnc3sccc32)cc1 ZINC001191225211 1134829918 /nfs/dbraw/zinc/82/99/18/1134829918.db2.gz RQXULRTVSRGULD-UHFFFAOYSA-N -1 0 347.465 3.835 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cccc3cnn(C)c32)cc1 ZINC001191248786 1134836712 /nfs/dbraw/zinc/83/67/12/1134836712.db2.gz JGBUQTMMDBBEBJ-UHFFFAOYSA-N -1 0 343.452 3.717 20 0 EHADRM C[C@@H]1CCC[C@H](CC(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)C1 ZINC000747111021 1134903864 /nfs/dbraw/zinc/90/38/64/1134903864.db2.gz QOHZSBUBJGQDCL-CABCVRRESA-N -1 0 347.480 3.636 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(Cl)cnc1C ZINC001191787409 1134922498 /nfs/dbraw/zinc/92/24/98/1134922498.db2.gz KCFRJEYPUIESMX-UHFFFAOYSA-N -1 0 340.832 3.551 20 0 EHADRM Cc1cc(C)c(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1C=O ZINC000793767908 1134986714 /nfs/dbraw/zinc/98/67/14/1134986714.db2.gz JODLATRUKBOTGA-UHFFFAOYSA-N -1 0 348.742 3.635 20 0 EHADRM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1ccnc(C(C)(C)C)c1 ZINC001192317078 1134998312 /nfs/dbraw/zinc/99/83/12/1134998312.db2.gz NEQPEBKZQRREIZ-UHFFFAOYSA-N -1 0 339.848 3.537 20 0 EHADRM Nc1ccc(OC(F)(F)F)c(Nc2ccc(C(=O)[O-])cc2F)c1 ZINC001203293391 1135010466 /nfs/dbraw/zinc/01/04/66/1135010466.db2.gz KJNWZIDAQLEJRS-UHFFFAOYSA-N -1 0 330.237 3.748 20 0 EHADRM Cc1c(=O)[n-]n(-c2ccccc2)c1NC(=O)Nc1ccc(F)c(C)c1 ZINC001192417984 1135011387 /nfs/dbraw/zinc/01/13/87/1135011387.db2.gz KTHFXSNJYIGFEM-UHFFFAOYSA-N -1 0 340.358 3.978 20 0 EHADRM O=C(Nc1nc2ccccc2nc1Cl)c1c([O-])ccc(F)c1F ZINC001192729271 1135047693 /nfs/dbraw/zinc/04/76/93/1135047693.db2.gz FNIOFBWSNNUZFO-UHFFFAOYSA-N -1 0 335.697 3.519 20 0 EHADRM O=C(NCC1(Cc2ccccc2F)CC1)c1c(F)ccc(F)c1[O-] ZINC001192718441 1135051475 /nfs/dbraw/zinc/05/14/75/1135051475.db2.gz YOQPXWHQIVWKAI-UHFFFAOYSA-N -1 0 335.325 3.562 20 0 EHADRM Cc1cn(-c2ccc(NC(=O)c3c([O-])ccc(F)c3F)cc2F)cn1 ZINC001192764415 1135052285 /nfs/dbraw/zinc/05/22/85/1135052285.db2.gz IOIKCLRVKSJPQP-UHFFFAOYSA-N -1 0 347.296 3.556 20 0 EHADRM O=C(Nc1ccc(OCC(F)(F)F)cc1)c1c([O-])ccc(F)c1F ZINC001192764697 1135052529 /nfs/dbraw/zinc/05/25/29/1135052529.db2.gz MEAORMKDSQGECS-UHFFFAOYSA-N -1 0 347.239 3.864 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cccc3c2CCC3)c1 ZINC001192763432 1135052568 /nfs/dbraw/zinc/05/25/68/1135052568.db2.gz IEHPOVYOKLBQLF-UHFFFAOYSA-N -1 0 331.437 3.547 20 0 EHADRM COC(=O)c1ccc(-c2ccsc2C(=O)[O-])cc1OC(F)(F)F ZINC001205605835 1135054738 /nfs/dbraw/zinc/05/47/38/1135054738.db2.gz RSEHDKZTYDWDNI-UHFFFAOYSA-N -1 0 346.282 3.799 20 0 EHADRM O=C(Nc1cncc(-c2ccccc2)c1)c1ccc(F)c(F)c1[O-] ZINC001192797934 1135056080 /nfs/dbraw/zinc/05/60/80/1135056080.db2.gz XDZJFAAPOCZLFL-UHFFFAOYSA-N -1 0 326.302 3.985 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c1 ZINC001192805406 1135056989 /nfs/dbraw/zinc/05/69/89/1135056989.db2.gz HVGZLYHUIGHUAO-UHFFFAOYSA-N -1 0 343.807 3.851 20 0 EHADRM O=C(NCC1(Cc2ccccc2F)CC1)c1ccc(F)c(F)c1[O-] ZINC001192817635 1135058994 /nfs/dbraw/zinc/05/89/94/1135058994.db2.gz IJFUXMGBFBDFHT-UHFFFAOYSA-N -1 0 335.325 3.562 20 0 EHADRM CCC[C@H](C(=O)c1ccccc1)N(C)C(=O)c1cc(F)c([O-])cc1F ZINC001192871814 1135061923 /nfs/dbraw/zinc/06/19/23/1135061923.db2.gz HCKIQJTZHVMKDQ-MRXNPFEDSA-N -1 0 347.361 3.794 20 0 EHADRM CNc1ccc(C(F)(F)F)cc1NC(=O)c1ccc([O-])c(F)c1F ZINC001192839498 1135063351 /nfs/dbraw/zinc/06/33/51/1135063351.db2.gz IPRRKJJSJQRTLC-UHFFFAOYSA-N -1 0 346.255 3.983 20 0 EHADRM CCN(C(=O)c1cc(F)c([O-])cc1F)[C@H](C)Cc1ccc(OC)cc1 ZINC001192853325 1135066355 /nfs/dbraw/zinc/06/63/55/1135066355.db2.gz PQVOEQFBLMRHFW-GFCCVEGCSA-N -1 0 349.377 3.772 20 0 EHADRM O=S(=O)([N-]c1cccc(-c2ccccn2)c1)c1cnccc1Cl ZINC001192893850 1135069950 /nfs/dbraw/zinc/06/99/50/1135069950.db2.gz JSOPOTXNMLCQFV-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM CCSc1cccc(F)c1[N-]C(=O)c1nnc2ccccc2n1 ZINC001129501869 1135072169 /nfs/dbraw/zinc/07/21/69/1135072169.db2.gz ZPHRDZLIADMNPQ-UHFFFAOYSA-N -1 0 328.372 3.528 20 0 EHADRM O=S(=O)(CC1CCC1)Nc1cc(C(F)(F)F)ccc1[S-] ZINC001193507183 1135148263 /nfs/dbraw/zinc/14/82/63/1135148263.db2.gz RHMXCRZMIZBORD-UHFFFAOYSA-N -1 0 325.377 3.536 20 0 EHADRM CCC(CC)(C(=O)Nc1nc2c(c(=O)[nH]1)CCCC2)c1ccccc1 ZINC001129760239 1135151984 /nfs/dbraw/zinc/15/19/84/1135151984.db2.gz YMXXGRHJAVBJCY-UHFFFAOYSA-N -1 0 339.439 3.758 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nccnc2C(C)C)c2ccccc12 ZINC001193843428 1135185401 /nfs/dbraw/zinc/18/54/01/1135185401.db2.gz XMCNYINSWQVNIV-UHFFFAOYSA-N -1 0 341.436 3.862 20 0 EHADRM Cc1ccccc1CC(C)(C)CNC(=O)c1ccc(F)c([O-])c1F ZINC001193800649 1135186485 /nfs/dbraw/zinc/18/64/85/1135186485.db2.gz NSRQIWVNYCQPAD-UHFFFAOYSA-N -1 0 333.378 3.978 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ncc3ccccc3n2)c2ccccc12 ZINC001193832966 1135190944 /nfs/dbraw/zinc/19/09/44/1135190944.db2.gz FMTGGAWTILMSNJ-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM CCOc1cccnc1[N-]S(=O)(=O)c1ccc(C)c2ccccc21 ZINC001193832986 1135191157 /nfs/dbraw/zinc/19/11/57/1135191157.db2.gz HITPSXRRFRKADG-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM C[C@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1c(F)cncc1F ZINC000804826516 1135204685 /nfs/dbraw/zinc/20/46/85/1135204685.db2.gz YVXYSWKIVHXHIM-ZETCQYMHSA-N -1 0 348.246 3.607 20 0 EHADRM Cc1csc([N-]S(=O)(=O)c2ccc(-c3cccs3)cc2)n1 ZINC001194130836 1135230084 /nfs/dbraw/zinc/23/00/84/1135230084.db2.gz GUVIYLUYWVKEGY-UHFFFAOYSA-N -1 0 336.463 3.981 20 0 EHADRM Cc1ncc([N-]S(=O)(=O)c2ccc(-c3cccs3)cc2)nc1C ZINC001194141332 1135239735 /nfs/dbraw/zinc/23/97/35/1135239735.db2.gz DCTWSUNUADJFJK-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM CC1=C(C(=O)[N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)CCC1 ZINC000747234040 1135242357 /nfs/dbraw/zinc/24/23/57/1135242357.db2.gz QKISOGAIFJFGTJ-UHFFFAOYSA-N -1 0 341.432 3.659 20 0 EHADRM Cc1nnc(-c2cccc(C(=O)Nc3cc(Cl)c([O-])cc3F)c2)o1 ZINC000805256890 1135253648 /nfs/dbraw/zinc/25/36/48/1135253648.db2.gz JHVVFSCPRFHNEP-UHFFFAOYSA-N -1 0 347.733 3.795 20 0 EHADRM O=C(C[C@H](O)c1ccc(Cl)cc1)Nc1cc(Cl)c([O-])cc1F ZINC000805254617 1135254105 /nfs/dbraw/zinc/25/41/05/1135254105.db2.gz BJOBGWMQMVFDRW-ZDUSSCGKSA-N -1 0 344.169 3.900 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cn1)c1cccc2c(Cl)cccc21 ZINC001194402427 1135264016 /nfs/dbraw/zinc/26/40/16/1135264016.db2.gz AKONJAPYYIQKDJ-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM CCc1cccnc1[N-]S(=O)(=O)c1cccc2c(Cl)nccc21 ZINC001194458046 1135270298 /nfs/dbraw/zinc/27/02/98/1135270298.db2.gz CKBAQURRACGMEH-UHFFFAOYSA-N -1 0 347.827 3.646 20 0 EHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1ncccc1C(F)(F)F ZINC001194606276 1135292555 /nfs/dbraw/zinc/29/25/55/1135292555.db2.gz ZNKJTSZAJCXIIO-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM O=C([O-])c1ccc(CO[C@@H]2Cc3ccc(Br)cc3C2)cc1 ZINC001205671283 1135294023 /nfs/dbraw/zinc/29/40/23/1135294023.db2.gz ACLANUAFBKMGJP-MRXNPFEDSA-N -1 0 347.208 3.831 20 0 EHADRM Cc1cccc(-n2nccc2[N-]S(=O)(=O)c2c(C)cccc2C)c1 ZINC001194615913 1135300228 /nfs/dbraw/zinc/30/02/28/1135300228.db2.gz LTMFLMIGGPADDA-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM CC[C@H](C)COC(=O)Nc1ccc(S(=O)(=O)[O-])c2ccccc12 ZINC001194803780 1135322729 /nfs/dbraw/zinc/32/27/29/1135322729.db2.gz FEPSJLNJQYDUCY-NSHDSACASA-N -1 0 337.397 3.681 20 0 EHADRM CC[C@@H](C)COC(=O)Nc1cccc2cc(S(=O)(=O)[O-])ccc21 ZINC001194804353 1135323377 /nfs/dbraw/zinc/32/33/77/1135323377.db2.gz HPFGKHODUHCFKB-LLVKDONJSA-N -1 0 337.397 3.681 20 0 EHADRM CC(C)(C)CCCCC(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000805846046 1135344375 /nfs/dbraw/zinc/34/43/75/1135344375.db2.gz YJIOEYZYOCUKNT-UHFFFAOYSA-N -1 0 331.865 3.751 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)no2)c1 ZINC001195116021 1135371351 /nfs/dbraw/zinc/37/13/51/1135371351.db2.gz KOEPTCOACBFOFZ-UHFFFAOYSA-N -1 0 334.319 3.618 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cccc(C(C)C)c2)n(C(C)(C)C)n1 ZINC001195115380 1135371503 /nfs/dbraw/zinc/37/15/03/1135371503.db2.gz GIOZURIZVOFVEK-UHFFFAOYSA-N -1 0 335.473 3.871 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cccc(C(C)C)c2)n(CC2CC2)n1 ZINC001195120181 1135372205 /nfs/dbraw/zinc/37/22/05/1135372205.db2.gz DDNNFIDHOATHOY-UHFFFAOYSA-N -1 0 333.457 3.526 20 0 EHADRM COc1c(F)cc([N-]S(=O)(=O)c2c(C)cccc2Cl)cc1F ZINC001195310318 1135411570 /nfs/dbraw/zinc/41/15/70/1135411570.db2.gz YYXZOQGWRNALGN-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM O=S(=O)(N[C@H]1CCC[C@H](c2ccccc2)CC1)c1ccccc1[O-] ZINC001195398522 1135418289 /nfs/dbraw/zinc/41/82/89/1135418289.db2.gz VGBUVPVAERXQIK-IRXDYDNUSA-N -1 0 345.464 3.787 20 0 EHADRM COC(=O)Nc1ccc(C(=O)Nc2cc(Cl)c([O-])cc2F)cc1 ZINC000805255619 1135418447 /nfs/dbraw/zinc/41/84/47/1135418447.db2.gz VHINILASSCZTJF-UHFFFAOYSA-N -1 0 338.722 3.615 20 0 EHADRM O=C(NCCCCOCCc1ccccc1)c1cccc(Cl)c1[O-] ZINC000775663382 1135438070 /nfs/dbraw/zinc/43/80/70/1135438070.db2.gz ABNNUKPLQISIRI-UHFFFAOYSA-N -1 0 347.842 3.815 20 0 EHADRM CN(C)S(=O)(=O)c1ccccc1Nc1ccc(Cl)cc1[S-] ZINC001195586717 1135439072 /nfs/dbraw/zinc/43/90/72/1135439072.db2.gz QSEJBISYFHNVEH-UHFFFAOYSA-N -1 0 342.873 3.623 20 0 EHADRM CC(C)COc1c(F)cccc1[N-]S(=O)(=O)c1cccs1 ZINC001250928866 1135491804 /nfs/dbraw/zinc/49/18/04/1135491804.db2.gz ICXVISYXPQMSBY-UHFFFAOYSA-N -1 0 329.418 3.723 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cccc3C)s2)c(F)c1 ZINC001196346999 1135549603 /nfs/dbraw/zinc/54/96/03/1135549603.db2.gz JOPUWPQZMFMIQN-UHFFFAOYSA-N -1 0 336.413 3.853 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc3ccc(O)cc3c2)c(F)c1 ZINC001196380368 1135551685 /nfs/dbraw/zinc/55/16/85/1135551685.db2.gz NLZDORINTWDBNX-UHFFFAOYSA-N -1 0 331.368 3.794 20 0 EHADRM O=C(Nc1ncccc1-c1ccccc1)c1cc(Cl)ncc1[O-] ZINC001196387972 1135553443 /nfs/dbraw/zinc/55/34/43/1135553443.db2.gz YTEPLHVMTYLQDH-UHFFFAOYSA-N -1 0 325.755 3.755 20 0 EHADRM Cc1cncc([N-]S(=O)(=O)c2ccc3cc(Cl)ccc3c2)c1 ZINC001196413996 1135560048 /nfs/dbraw/zinc/56/00/48/1135560048.db2.gz FYRQWYWHKLHGKW-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM O=C(Nc1ccc2c(c1)CCCC(=O)N2)c1cc(Cl)c(F)cc1[O-] ZINC001196467968 1135564353 /nfs/dbraw/zinc/56/43/53/1135564353.db2.gz WMFOAFOQKDZPSE-UHFFFAOYSA-N -1 0 348.761 3.712 20 0 EHADRM O=C(Nc1ccc(-c2ccncn2)cc1)c1cc(Cl)c(F)cc1[O-] ZINC001196468064 1135564375 /nfs/dbraw/zinc/56/43/75/1135564375.db2.gz XMEVKMLTNGJCQG-UHFFFAOYSA-N -1 0 343.745 3.894 20 0 EHADRM Cc1nc(NC2CC2)sc1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000807776365 1135570977 /nfs/dbraw/zinc/57/09/77/1135570977.db2.gz YPJQYNHGFQUAOH-UHFFFAOYSA-N -1 0 341.795 3.776 20 0 EHADRM O=C(Nc1ccc(N2CCCC2=O)c(F)c1)c1cccc(Cl)c1[O-] ZINC000775736301 1135594625 /nfs/dbraw/zinc/59/46/25/1135594625.db2.gz CBZCLXZAIKOXTL-UHFFFAOYSA-N -1 0 348.761 3.564 20 0 EHADRM COc1ccc(F)c(S(=O)(=O)[N-]c2ccccc2-c2ccco2)c1 ZINC001196779769 1135615015 /nfs/dbraw/zinc/61/50/15/1135615015.db2.gz YXTQJIBBFNZMMD-UHFFFAOYSA-N -1 0 347.367 3.895 20 0 EHADRM CC(C)c1scnc1[N-]S(=O)(=O)/C=C\c1ccccc1F ZINC000808128603 1135615662 /nfs/dbraw/zinc/61/56/62/1135615662.db2.gz BQVRTMMGTOEDIU-FPLPWBNLSA-N -1 0 326.418 3.818 20 0 EHADRM Cn1c(Cl)ncc1S(=O)(=O)[N-]c1cccc(-c2ccccc2)c1 ZINC000808115741 1135619545 /nfs/dbraw/zinc/61/95/45/1135619545.db2.gz QRPXGBGHWNIEFP-UHFFFAOYSA-N -1 0 347.827 3.541 20 0 EHADRM CN(CCc1cccc(Cl)c1)C(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197096607 1135645336 /nfs/dbraw/zinc/64/53/36/1135645336.db2.gz CHKNHWGVVIYYPC-UHFFFAOYSA-N -1 0 348.855 3.910 20 0 EHADRM Cc1ccccc1[C@H]1CN(C(=O)c2cccc(Cl)c2[O-])[C@H](C)CO1 ZINC000775759083 1135651562 /nfs/dbraw/zinc/65/15/62/1135651562.db2.gz VYTLRVCESKPKIO-CXAGYDPISA-N -1 0 345.826 3.956 20 0 EHADRM CN1CCCc2ccc(NC(=S)Nc3ccc(C(=O)[O-])cc3)cc21 ZINC001197113513 1135651581 /nfs/dbraw/zinc/65/15/81/1135651581.db2.gz SNDZYUISNVAGGS-UHFFFAOYSA-N -1 0 341.436 3.576 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NCCc2ccc(Cl)s2)cc1 ZINC001197146281 1135654274 /nfs/dbraw/zinc/65/42/74/1135654274.db2.gz FIHLFHZLBNVFDP-UHFFFAOYSA-N -1 0 340.857 3.629 20 0 EHADRM Cc1nc([N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)cs1 ZINC001197507291 1135701684 /nfs/dbraw/zinc/70/16/84/1135701684.db2.gz AROHSLTWSSUGMY-UHFFFAOYSA-N -1 0 337.253 3.700 20 0 EHADRM O=C(NC[C@H](O)c1cc2ccccc2s1)c1cccc(Cl)c1[O-] ZINC000775776941 1135706284 /nfs/dbraw/zinc/70/62/84/1135706284.db2.gz FXLHIGWLJPKLQV-ZDUSSCGKSA-N -1 0 347.823 3.724 20 0 EHADRM O=S(=O)(Cc1ccccn1)[N-]c1ccccc1SC(F)(F)F ZINC001197821724 1135744343 /nfs/dbraw/zinc/74/43/43/1135744343.db2.gz XSXZLBJALCCQAR-UHFFFAOYSA-N -1 0 348.371 3.635 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)c1 ZINC001198005237 1135760645 /nfs/dbraw/zinc/76/06/45/1135760645.db2.gz DLZQTGHQFMKKTG-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM O=S(=O)([N-]c1ccccc1-c1cccnc1)c1cccc(Cl)n1 ZINC001198238496 1135790433 /nfs/dbraw/zinc/79/04/33/1135790433.db2.gz VURSYDSJXCWYRY-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c1 ZINC000081668894 1135807422 /nfs/dbraw/zinc/80/74/22/1135807422.db2.gz XNCUOGOGKIQJIR-UHFFFAOYSA-N -1 0 349.264 3.911 20 0 EHADRM COc1cc(CNC(=S)Nc2ccccc2C)cc(Cl)c1O ZINC001198448176 1135821428 /nfs/dbraw/zinc/82/14/28/1135821428.db2.gz HVZXSKDBZGCUKU-UHFFFAOYSA-N -1 0 336.844 3.849 20 0 EHADRM COc1nc(Cl)ccc1S(=O)(=O)Nc1c(C)cccc1Cl ZINC001198651112 1135842804 /nfs/dbraw/zinc/84/28/04/1135842804.db2.gz NSCBLEMBKUHFLD-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1cc(Cl)ccc1C ZINC001198692548 1135844314 /nfs/dbraw/zinc/84/43/14/1135844314.db2.gz CTRSQJAWVJAZHH-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM Cc1cc2c(ncnc2[N-]S(=O)(=O)c2ccc3occc3c2)s1 ZINC001198816370 1135858941 /nfs/dbraw/zinc/85/89/41/1135858941.db2.gz GNTHQXISQGIPKE-UHFFFAOYSA-N -1 0 345.405 3.547 20 0 EHADRM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2ccc3occc3c2)on1 ZINC001198818979 1135859240 /nfs/dbraw/zinc/85/92/40/1135859240.db2.gz WJOWVFHIKPDZOQ-UHFFFAOYSA-N -1 0 334.397 3.810 20 0 EHADRM CCC[C@@H](NS(=O)(=O)c1ccccc1C(=O)[O-])c1cccc(C)c1 ZINC001198819969 1135859298 /nfs/dbraw/zinc/85/92/98/1135859298.db2.gz HIVASHRYBSUMJO-MRXNPFEDSA-N -1 0 347.436 3.513 20 0 EHADRM Cc1nc2c(cccc2[N-]S(=O)(=O)c2ccc3occc3c2)o1 ZINC001198863131 1135862740 /nfs/dbraw/zinc/86/27/40/1135862740.db2.gz VTWIJKVSVQJQIV-UHFFFAOYSA-N -1 0 328.349 3.683 20 0 EHADRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(OC)cc2C)on1 ZINC001198904812 1135868764 /nfs/dbraw/zinc/86/87/64/1135868764.db2.gz CNYQHIACARQKMN-LLVKDONJSA-N -1 0 338.429 3.696 20 0 EHADRM O=C(NC[C@H]1COc2ccccc2C1)c1ccc2ccccc2c1O ZINC000747579931 1135900791 /nfs/dbraw/zinc/90/07/91/1135900791.db2.gz DIPGQVGAZVMQSS-AWEZNQCLSA-N -1 0 333.387 3.527 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000775999614 1135916269 /nfs/dbraw/zinc/91/62/69/1135916269.db2.gz VOTIASVXRYVZGF-IBGZPJMESA-N -1 0 343.810 3.707 20 0 EHADRM [O-]c1cc(F)cc(F)c1NC(=S)Nc1ccc(-n2cccn2)cc1 ZINC001200885009 1135963832 /nfs/dbraw/zinc/96/38/32/1135963832.db2.gz JIBOVORZAMUTOL-UHFFFAOYSA-N -1 0 346.362 3.665 20 0 EHADRM Cc1cc(C)c(NS(=O)(=O)/C=C/c2ccc(F)cc2)c(C(=O)[O-])c1 ZINC000747612036 1135976891 /nfs/dbraw/zinc/97/68/91/1135976891.db2.gz OKVLRPWBSZPDIC-BQYQJAHWSA-N -1 0 349.383 3.553 20 0 EHADRM CC1(C)OC[C@H](CCOC(=O)c2cc3cc(Cl)sc3[nH]2)O1 ZINC000810637105 1135987974 /nfs/dbraw/zinc/98/79/74/1135987974.db2.gz GJERODSYFKCMOD-VIFPVBQESA-N -1 0 329.805 3.581 20 0 EHADRM O=S(=O)([N-]c1cncs1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC001201346166 1136010739 /nfs/dbraw/zinc/01/07/39/1136010739.db2.gz RIVVLBIEZITKQK-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM CCOc1ncc(Cl)cc1Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001201515199 1136036990 /nfs/dbraw/zinc/03/69/90/1136036990.db2.gz ZCKYTXFMBLSDRH-UHFFFAOYSA-N -1 0 330.775 3.769 20 0 EHADRM Cc1nocc1[N-]S(=O)(=O)c1cccc(Oc2ccccc2C)c1 ZINC001201568543 1136041921 /nfs/dbraw/zinc/04/19/21/1136041921.db2.gz JTBOSNGFUTWVKP-UHFFFAOYSA-N -1 0 344.392 3.885 20 0 EHADRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1cc(C)c(F)c(C)c1 ZINC001201760633 1136060537 /nfs/dbraw/zinc/06/05/37/1136060537.db2.gz PFGTZJUOVJCPFR-UHFFFAOYSA-N -1 0 334.825 3.662 20 0 EHADRM COc1ccc(C)nc1[N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC001201792678 1136062653 /nfs/dbraw/zinc/06/26/53/1136062653.db2.gz NMLLDOXZZNSDHD-UHFFFAOYSA-N -1 0 348.468 3.742 20 0 EHADRM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)Nc1ccc(F)cc1F ZINC001202027016 1136082992 /nfs/dbraw/zinc/08/29/92/1136082992.db2.gz PYFJHWQRNNVZCF-UHFFFAOYSA-N -1 0 330.294 3.500 20 0 EHADRM O=C(Nc1cc(=O)[n-]c(Cl)n1)Nc1c(Cl)cccc1Cl ZINC001202092817 1136093378 /nfs/dbraw/zinc/09/33/78/1136093378.db2.gz FBKIWEJUYUBKFZ-UHFFFAOYSA-N -1 0 333.562 3.786 20 0 EHADRM CCCC[C@H](C)N(C)S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1 ZINC000811683669 1136121271 /nfs/dbraw/zinc/12/12/71/1136121271.db2.gz VVZRHMHMSBLUJN-NSHDSACASA-N -1 0 347.864 3.546 20 0 EHADRM Cc1cccc(NC(=O)Nc2ccc(Cl)cc2S(=O)(=O)[O-])c1 ZINC001202315823 1136128001 /nfs/dbraw/zinc/12/80/01/1136128001.db2.gz PSTRKBQLKYKUET-UHFFFAOYSA-N -1 0 340.788 3.539 20 0 EHADRM COc1ccc(NC(=O)Nc2c(C)c(=O)[n-]n2-c2ccccc2)cc1 ZINC001202402413 1136142990 /nfs/dbraw/zinc/14/29/90/1136142990.db2.gz MZOVCNNBYSBBJQ-UHFFFAOYSA-N -1 0 338.367 3.539 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)NC2(c3cccc(F)c3)CC2)c1 ZINC000811819038 1136145483 /nfs/dbraw/zinc/14/54/83/1136145483.db2.gz DTNQAOBLFIYTSV-UHFFFAOYSA-N -1 0 333.746 3.596 20 0 EHADRM CC(C)(C(=O)[N-]OC/C=C\Cl)c1cccc(Br)c1 ZINC000812400169 1136201273 /nfs/dbraw/zinc/20/12/73/1136201273.db2.gz GLILUOAVZBUWOX-DAXSKMNVSA-N -1 0 332.625 3.527 20 0 EHADRM CON(Cc1ccccc1Cl)C(=O)c1c([O-])cccc1Cl ZINC000812426578 1136206655 /nfs/dbraw/zinc/20/66/55/1136206655.db2.gz GZZIFPRKGLVQKU-UHFFFAOYSA-N -1 0 326.179 3.903 20 0 EHADRM CC(C)COc1ccc(C(C)(C)C(=O)[N-]OC/C=C\Cl)cc1 ZINC000812405572 1136209277 /nfs/dbraw/zinc/20/92/77/1136209277.db2.gz BQVCKKKHUAZUCH-YHYXMXQVSA-N -1 0 325.836 3.799 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)Cc2ccc(C)nc2Cl)c1 ZINC000812705745 1136235511 /nfs/dbraw/zinc/23/55/11/1136235511.db2.gz DTGQTITVVBEWQK-UHFFFAOYSA-N -1 0 332.787 3.523 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@]1(C)CC=C(C)CC1 ZINC000851043446 1136331572 /nfs/dbraw/zinc/33/15/72/1136331572.db2.gz NVXRWCVMNPNTQB-SJLPKXTDSA-N -1 0 335.469 3.720 20 0 EHADRM O=C([N-]S(=O)(=O)c1sccc1Cl)C1CC2(C1)CCCCC2 ZINC000851073642 1136334279 /nfs/dbraw/zinc/33/42/79/1136334279.db2.gz VSBRATORXAPFSJ-UHFFFAOYSA-N -1 0 347.889 3.567 20 0 EHADRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]C(=O)CCCC(C)(C)C ZINC000851138288 1136341345 /nfs/dbraw/zinc/34/13/45/1136341345.db2.gz WCLKUCQIITXFIA-UHFFFAOYSA-N -1 0 348.468 3.565 20 0 EHADRM CCCCC(=O)O[C@@H]1C[C@@H]([N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000851176335 1136346700 /nfs/dbraw/zinc/34/67/00/1136346700.db2.gz OQALIEOOYWLOGQ-CHWSQXEVSA-N -1 0 329.318 3.584 20 0 EHADRM CC1(C(=O)O[C@H]2C[C@@H]([N-]C(=O)C(F)(F)F)c3ccccc32)CCC1 ZINC000851176914 1136346822 /nfs/dbraw/zinc/34/68/22/1136346822.db2.gz RQQVLBARNKSPAP-OLZOCXBDSA-N -1 0 341.329 3.584 20 0 EHADRM CCC[C@](C)(CC)C(=O)[N-]S(=O)(=O)[C@H](CC)c1ccccc1 ZINC000814019908 1136386968 /nfs/dbraw/zinc/38/69/68/1136386968.db2.gz ORDOZHUEWCQWKL-WBVHZDCISA-N -1 0 325.474 3.800 20 0 EHADRM CC(C)Oc1cccc([C@@H](C)NC(=O)c2ccc(/C=C/C(=O)[O-])o2)c1 ZINC000851593669 1136395065 /nfs/dbraw/zinc/39/50/65/1136395065.db2.gz AIFKUMZRIPLNCE-AORWBKJGSA-N -1 0 343.379 3.656 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CCCC2(CC2)C1)c1ccc(F)cc1F ZINC000851600268 1136395663 /nfs/dbraw/zinc/39/56/63/1136395663.db2.gz LCNQHTSQFUMULK-ABAIWWIYSA-N -1 0 337.366 3.567 20 0 EHADRM Cc1ccc(C(C)(C)CN(C)C(=O)c2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC000851604389 1136395722 /nfs/dbraw/zinc/39/57/22/1136395722.db2.gz WAZCCYCAKLNVTB-ZRDIBKRKSA-N -1 0 341.407 3.736 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)C[C@@]12CCCC[C@@H]1C2(F)F ZINC000851601203 1136395880 /nfs/dbraw/zinc/39/58/80/1136395880.db2.gz PTAVVBSMFUHLPK-BBRMVZONSA-N -1 0 331.403 3.743 20 0 EHADRM C/C(=C\C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1)c1ccco1 ZINC000851694756 1136399759 /nfs/dbraw/zinc/39/97/59/1136399759.db2.gz PVOAAXRINFLEIY-BUHFOSPRSA-N -1 0 339.391 3.787 20 0 EHADRM CC1CCN(c2cccc(NC(=O)C3CCC(C(=O)[O-])CC3)c2)CC1 ZINC000851693400 1136399931 /nfs/dbraw/zinc/39/99/31/1136399931.db2.gz ATWVVGONWQAGQW-UHFFFAOYSA-N -1 0 344.455 3.752 20 0 EHADRM CC(C)(C)Cc1csc(NC(=O)c2n[n-]c3ccccc3c2=O)n1 ZINC000776547977 1136407410 /nfs/dbraw/zinc/40/74/10/1136407410.db2.gz YONMROCQSKDQKW-UHFFFAOYSA-N -1 0 342.424 3.633 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)NCCCCCCCC(=O)[O-])c1 ZINC000776553329 1136419433 /nfs/dbraw/zinc/41/94/33/1136419433.db2.gz UGQQZXIJOZMVRV-UHFFFAOYSA-N -1 0 341.473 3.514 20 0 EHADRM Cc1ccc(/C=C/S(=O)(=O)Nc2c(C)cc(C)cc2C(=O)[O-])cc1 ZINC000110280815 1136420227 /nfs/dbraw/zinc/42/02/27/1136420227.db2.gz RGFLSNZMRPODCA-CMDGGOBGSA-N -1 0 345.420 3.723 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C1CCCCCC1)c1ccc(F)cc1F ZINC000776658253 1136526725 /nfs/dbraw/zinc/52/67/25/1136526725.db2.gz HJBOWKCNXFLVSF-OAHLLOKOSA-N -1 0 325.355 3.567 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1F ZINC000776660772 1136530029 /nfs/dbraw/zinc/53/00/29/1136530029.db2.gz XHUZIQKHYJSZKP-CQSZACIVSA-N -1 0 339.725 3.564 20 0 EHADRM O=C([O-])[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)C=C1CCCC1 ZINC000776681600 1136545363 /nfs/dbraw/zinc/54/53/63/1136545363.db2.gz LLLXKXUKJMTCNC-AWEZNQCLSA-N -1 0 342.222 3.606 20 0 EHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCC(CC(F)(F)F)CC1 ZINC000854396554 1136612967 /nfs/dbraw/zinc/61/29/67/1136612967.db2.gz FIQLQJLDQULZQP-UHFFFAOYSA-N -1 0 344.358 3.921 20 0 EHADRM CCCCCC[C@H](CC)C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000112641747 1136644103 /nfs/dbraw/zinc/64/41/03/1136644103.db2.gz CGYDPJPCOGZSDB-ZDUSSCGKSA-N -1 0 331.416 3.965 20 0 EHADRM CC(C)(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000815892541 1136648276 /nfs/dbraw/zinc/64/82/76/1136648276.db2.gz TYRZWNIOFDEBBK-UHFFFAOYSA-N -1 0 333.453 3.717 20 0 EHADRM CC(C)(CO)[C@@H](NC(=O)c1cccc(Cl)c1[O-])c1cccs1 ZINC000855111875 1136667710 /nfs/dbraw/zinc/66/77/10/1136667710.db2.gz TUFGNDKTKOKHAN-AWEZNQCLSA-N -1 0 339.844 3.597 20 0 EHADRM CCc1oc(C(=O)[N-]S(=O)(=O)[C@H](c2ccccc2)C(C)C)cc1C ZINC000816107775 1136671164 /nfs/dbraw/zinc/67/11/64/1136671164.db2.gz QARJMAUHYREWFU-KRWDZBQOSA-N -1 0 349.452 3.607 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCC1CCCC1 ZINC000816107929 1136673921 /nfs/dbraw/zinc/67/39/21/1136673921.db2.gz UCYVWRYXAZZNIN-GOSISDBHSA-N -1 0 337.485 3.800 20 0 EHADRM CC(C)CC(C)(C)C(=O)[N-]S(=O)(=O)[C@@H](c1ccccc1)C(C)C ZINC000816108934 1136677269 /nfs/dbraw/zinc/67/72/69/1136677269.db2.gz QYRVHZLXYOLFDD-MRXNPFEDSA-N -1 0 339.501 3.902 20 0 EHADRM Cc1cccc(C)c1[C@@H]1CCCN1C(=O)c1n[n-]c2ccccc2c1=O ZINC000855214818 1136678429 /nfs/dbraw/zinc/67/84/29/1136678429.db2.gz PXSNWHLFGVWHQJ-KRWDZBQOSA-N -1 0 347.418 3.930 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@H](C)c2ccccc2)n1 ZINC001135609805 1136728841 /nfs/dbraw/zinc/72/88/41/1136728841.db2.gz OASSOULTUZRSLA-CYBMUJFWSA-N -1 0 339.370 3.516 20 0 EHADRM C[C@H]1N(C(=O)c2n[n-]c3ccccc3c2=O)c2ccccc2C1(C)C ZINC000855908125 1136740682 /nfs/dbraw/zinc/74/06/82/1136740682.db2.gz JDGWHLASTPWDBA-GFCCVEGCSA-N -1 0 333.391 3.662 20 0 EHADRM CCCCc1nnc(NC(=O)c2ccc3oc(=S)[n-]c3c2)s1 ZINC000816840751 1136756796 /nfs/dbraw/zinc/75/67/96/1136756796.db2.gz BCBPTGJBKDQRRZ-UHFFFAOYSA-N -1 0 334.426 3.563 20 0 EHADRM CCCCCc1nnc([N-]C(=O)c2conc2C(F)(F)F)s1 ZINC000816842942 1136760416 /nfs/dbraw/zinc/76/04/16/1136760416.db2.gz IVNPGJALEHOHMU-UHFFFAOYSA-N -1 0 334.323 3.530 20 0 EHADRM O=C(Nc1cccc(OC(F)F)c1)c1ccc2oc(=S)[n-]c2c1 ZINC000816883498 1136763306 /nfs/dbraw/zinc/76/33/06/1136763306.db2.gz DOWOVTIUFQNUNK-UHFFFAOYSA-N -1 0 336.319 3.970 20 0 EHADRM O=C(Nc1cc(C2CCCC2)[nH]n1)c1ccc2oc(=S)[n-]c2c1 ZINC000816928319 1136767164 /nfs/dbraw/zinc/76/71/64/1136767164.db2.gz CPQSLDVPIPEVGC-UHFFFAOYSA-N -1 0 328.397 3.750 20 0 EHADRM CC[C@H](C)CONC(=O)CCc1nnc(-c2cc3ccccc3o2)o1 ZINC000816978047 1136769174 /nfs/dbraw/zinc/76/91/74/1136769174.db2.gz LVHKKCFSOXGPAY-LBPRGKRZSA-N -1 0 343.383 3.509 20 0 EHADRM CC[C@@H](C)CO[N-]C(=O)C(CC)(CC)c1ccc(OC)c(OC)c1 ZINC000816976234 1136769344 /nfs/dbraw/zinc/76/93/44/1136769344.db2.gz ZFGJLTUYEYPEJW-CQSZACIVSA-N -1 0 337.460 3.856 20 0 EHADRM Cc1cc(SC(C)(C)C)ccc1NC(=O)[C@@H](C)O[C@@H](C)C(=O)[O-] ZINC000817571610 1136821047 /nfs/dbraw/zinc/82/10/47/1136821047.db2.gz IEDVHCBFRSXTCD-NEPJUHHUSA-N -1 0 339.457 3.702 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2ccc3ccnc(Cl)c3c2)CCC1 ZINC000817572347 1136820959 /nfs/dbraw/zinc/82/09/59/1136820959.db2.gz QJFDDQMRNSSNMG-UHFFFAOYSA-N -1 0 332.787 3.862 20 0 EHADRM CCc1ccc(C(=O)N2[C@@H](C(=O)[O-])CC[C@H]2c2ccccc2)s1 ZINC000856979337 1136829617 /nfs/dbraw/zinc/82/96/17/1136829617.db2.gz QDCMOVXBMHCFBF-LSDHHAIUSA-N -1 0 329.421 3.741 20 0 EHADRM [O-]c1c(F)cc(-c2noc([C@H]3C[C@@H]3C(F)F)n2)cc1Br ZINC000857094424 1136844172 /nfs/dbraw/zinc/84/41/72/1136844172.db2.gz XGIXIFBVCURSEF-WDSKDSINSA-N -1 0 349.106 3.712 20 0 EHADRM CC(C)(C)c1ccc(OCC(=O)[N-]OCc2ccc(F)cc2)cc1 ZINC000857484606 1136876485 /nfs/dbraw/zinc/87/64/85/1136876485.db2.gz IYLDCGVHOUUVST-UHFFFAOYSA-N -1 0 331.387 3.750 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)N3CCC[C@H]4CCC[C@H]43)c([O-])c2)o1 ZINC000820296615 1136985265 /nfs/dbraw/zinc/98/52/65/1136985265.db2.gz WTFMEGPKLSJEPB-CXAGYDPISA-N -1 0 339.391 3.869 20 0 EHADRM COc1cccc(C(C)=CC(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)c1 ZINC000820465566 1136994092 /nfs/dbraw/zinc/99/40/92/1136994092.db2.gz NMTVMNVQCUUVLJ-ACCUITESSA-N -1 0 349.390 3.833 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)n2)c(C)s1 ZINC000116600894 1137008004 /nfs/dbraw/zinc/00/80/04/1137008004.db2.gz VEMOYJGDRCUFPT-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM CC[C@@]1(C)CCN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])C1 ZINC000820842083 1137008065 /nfs/dbraw/zinc/00/80/65/1137008065.db2.gz AWCQXMKMEDBXNM-IBGZPJMESA-N -1 0 327.380 3.727 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)NC[C@@H]2CCC[C@@H](C)C2)n1 ZINC001136406299 1137013931 /nfs/dbraw/zinc/01/39/31/1137013931.db2.gz MLXNYVWCXUQENB-HUUCEWRRSA-N -1 0 341.455 3.696 20 0 EHADRM Cc1ccc(-c2nnc([N-]C(=O)c3c(F)cncc3F)s2)c(C)c1 ZINC001136410582 1137015922 /nfs/dbraw/zinc/01/59/22/1137015922.db2.gz DYSDDUUCFAUVFB-UHFFFAOYSA-N -1 0 346.362 3.747 20 0 EHADRM CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1cccc(Cl)c1[O-] ZINC000860444596 1137060346 /nfs/dbraw/zinc/06/03/46/1137060346.db2.gz DBWOSWOACSICRD-JTQLQIEISA-N -1 0 342.823 3.630 20 0 EHADRM CCCC[C@@H](CC)CC(=O)[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000117534053 1137063372 /nfs/dbraw/zinc/06/33/72/1137063372.db2.gz LDZJFNWXWKLCDK-CQSZACIVSA-N -1 0 348.468 3.646 20 0 EHADRM CC(C)OCc1ccc(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000013403904 1137080917 /nfs/dbraw/zinc/08/09/17/1137080917.db2.gz AKIXPOHKCHDRAI-KPKJPENVSA-N -1 0 339.391 3.962 20 0 EHADRM C[C@@H]1CN(C(=O)NCCCCCCc2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000861468634 1137108093 /nfs/dbraw/zinc/10/80/93/1137108093.db2.gz YIHNGKKNOODFMG-AEFFLSMTSA-N -1 0 346.471 3.542 20 0 EHADRM O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1cccc(Br)c1[O-] ZINC001136786263 1137116329 /nfs/dbraw/zinc/11/63/29/1137116329.db2.gz XEWGWCWQOGLBGX-GRYCIOLGSA-N -1 0 338.245 3.853 20 0 EHADRM CC(C)(NC(=O)c1cccc(Br)c1[O-])c1cccs1 ZINC001136808618 1137120732 /nfs/dbraw/zinc/12/07/32/1137120732.db2.gz MLBBJGSDYGSREA-UHFFFAOYSA-N -1 0 340.242 3.881 20 0 EHADRM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CCC[C@@]2(CC2(F)F)C1 ZINC000824075403 1137124349 /nfs/dbraw/zinc/12/43/49/1137124349.db2.gz QLXNDGZFQJBTIW-CYBMUJFWSA-N -1 0 336.165 3.960 20 0 EHADRM O=C(Nc1cc([C@@H]2CCCO2)[nH]n1)c1cc(Cl)cc(Cl)c1[O-] ZINC000824456630 1137139965 /nfs/dbraw/zinc/13/99/65/1137139965.db2.gz ULYWUCJTXDBBMA-NSHDSACASA-N -1 0 342.182 3.526 20 0 EHADRM CCO[C@H]1C[C@H](N(C)C(=O)c2cccc(C(F)(F)F)c2[O-])C1(C)C ZINC001136924390 1137148965 /nfs/dbraw/zinc/14/89/65/1137148965.db2.gz XPGKOCWJFSSJOF-STQMWFEESA-N -1 0 345.361 3.687 20 0 EHADRM CCC(F)(F)C(C)(C)CNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000862945282 1137164686 /nfs/dbraw/zinc/16/46/86/1137164686.db2.gz PWRULNBGEGVEOU-UHFFFAOYSA-N -1 0 328.384 3.918 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc([O-])c(Cl)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000173524453 1137196824 /nfs/dbraw/zinc/19/68/24/1137196824.db2.gz LXITYZROAPBYCZ-APPDUMDISA-N -1 0 349.789 3.787 20 0 EHADRM CN(C(=O)CCc1ccc(C(F)F)cc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000864118313 1137215979 /nfs/dbraw/zinc/21/59/79/1137215979.db2.gz WLHMTBXTRRSKOG-KRWDZBQOSA-N -1 0 347.361 3.841 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)[C@]12C[C@H]1CCCC2 ZINC000864123189 1137216173 /nfs/dbraw/zinc/21/61/73/1137216173.db2.gz IXEAFAUTBDEHGL-ADLMAVQZSA-N -1 0 329.421 3.796 20 0 EHADRM CCCCC[C@H](NC(=O)[C@@H](C)Cc1cncc2ccccc21)C(=O)[O-] ZINC000864125868 1137216227 /nfs/dbraw/zinc/21/62/27/1137216227.db2.gz KBMBOPLWJWKSTL-KSSFIOAISA-N -1 0 342.439 3.563 20 0 EHADRM Cc1cc2c(CC(=O)N(C[C@@H](C)C(=O)[O-])C3CC3)csc2s1 ZINC000864131629 1137216482 /nfs/dbraw/zinc/21/64/82/1137216482.db2.gz YTKBWNNEWCRWBG-SECBINFHSA-N -1 0 337.466 3.525 20 0 EHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)/C=C\c1csc(C(F)(F)F)c1 ZINC000864141970 1137216950 /nfs/dbraw/zinc/21/69/50/1137216950.db2.gz UJXYZTKZEDOSHP-ZRUQZJFASA-N -1 0 349.374 3.786 20 0 EHADRM CC1(C)C[C@@H](NC(=O)/C=C/c2cc(C(=O)[O-])co2)c2ccccc21 ZINC000864143584 1137217088 /nfs/dbraw/zinc/21/70/88/1137217088.db2.gz NJDQXCSIHWULFU-KXPUMZMLSA-N -1 0 325.364 3.530 20 0 EHADRM C[C@@H](CCc1ccc(F)cc1)C(=O)NCc1ccc(C(=O)[O-])cc1F ZINC000864154566 1137217362 /nfs/dbraw/zinc/21/73/62/1137217362.db2.gz VJNOEBWQEBLLDZ-LBPRGKRZSA-N -1 0 347.361 3.548 20 0 EHADRM CC(C)(c1ccccc1)C1(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)CC1 ZINC000864153113 1137217421 /nfs/dbraw/zinc/21/74/21/1137217421.db2.gz YOSJTKMRXBLOEE-LUAWRHEFSA-N -1 0 339.391 3.618 20 0 EHADRM C/C(=C/C(=O)N1CCC(c2ncc(C(=O)[O-])s2)CC1)C(C)(C)C ZINC000864169609 1137217549 /nfs/dbraw/zinc/21/75/49/1137217549.db2.gz RZBMUAPGVBCVKR-LUAWRHEFSA-N -1 0 336.457 3.540 20 0 EHADRM Cc1ccc([C@H]2CCN(C(=O)/C=C/c3cc(C(=O)[O-])co3)C2)c(C)c1 ZINC000864159425 1137217601 /nfs/dbraw/zinc/21/76/01/1137217601.db2.gz ZCIYFNPLEJUUGQ-DRDHIDPGSA-N -1 0 339.391 3.624 20 0 EHADRM O=C([O-])c1cnc(C2CCN(C(=O)/C=C/C3CCCCC3)CC2)s1 ZINC000864169884 1137217609 /nfs/dbraw/zinc/21/76/09/1137217609.db2.gz UQHHAZBDJDJUPW-VOTSOKGWSA-N -1 0 348.468 3.684 20 0 EHADRM CC(C)(C)[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000864158244 1137217646 /nfs/dbraw/zinc/21/76/46/1137217646.db2.gz GGCOZIXJQDNWGA-NXEZZACHSA-N -1 0 327.327 3.607 20 0 EHADRM Cc1ccc(N(CC2CC2)C(=O)c2ccc(C(=O)[O-])s2)cc1F ZINC000864179103 1137218075 /nfs/dbraw/zinc/21/80/75/1137218075.db2.gz QGXMZFDWGVUIQL-UHFFFAOYSA-N -1 0 333.384 3.951 20 0 EHADRM CC[C@H](c1ccccc1OC)N(C)C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000864178238 1137218177 /nfs/dbraw/zinc/21/81/77/1137218177.db2.gz ZWNAHKKLLWRWBV-ZNFPLGDCSA-N -1 0 343.379 3.609 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)c1ccc(-c2ccc(F)cc2)s1)C1CC1 ZINC000864197688 1137218540 /nfs/dbraw/zinc/21/85/40/1137218540.db2.gz JNLGALYZPHAEGZ-GOSISDBHSA-N -1 0 347.411 3.927 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)NCc1cc(C(=O)[O-])co1 ZINC000864193224 1137218731 /nfs/dbraw/zinc/21/87/31/1137218731.db2.gz MEGVLYMIMZGIQH-MRXNPFEDSA-N -1 0 345.395 3.575 20 0 EHADRM CCC[C@H](C)CC(=O)N1CCC(c2nc(C)c(C(=O)[O-])s2)CC1 ZINC000864224009 1137219203 /nfs/dbraw/zinc/21/92/03/1137219203.db2.gz KXFWTGJAQPVKOJ-NSHDSACASA-N -1 0 338.473 3.682 20 0 EHADRM C[C@H](c1ccccc1)[C@@H](NCc1nc(C(C)(C)C)cs1)C(=O)[O-] ZINC000864516230 1137231275 /nfs/dbraw/zinc/23/12/75/1137231275.db2.gz KFCSENYHVWKIFW-MLGOLLRUSA-N -1 0 332.469 3.787 20 0 EHADRM CCCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000845513159 1137296285 /nfs/dbraw/zinc/29/62/85/1137296285.db2.gz BPUMOGXEESKLIV-UHFFFAOYSA-N -1 0 338.256 3.625 20 0 EHADRM COC(C)(C)c1nsc([N-]c2ccn([C@H](C)c3ccccc3)n2)n1 ZINC000865612007 1137298452 /nfs/dbraw/zinc/29/84/52/1137298452.db2.gz HDXBNHCKFBWWHH-GFCCVEGCSA-N -1 0 343.456 3.969 20 0 EHADRM Cc1c(NC(=O)c2c(F)ccc(O)c2F)cnn1-c1ccc(C)cc1 ZINC001144574897 1137311999 /nfs/dbraw/zinc/31/19/99/1137311999.db2.gz GURPGJKIJSELOT-UHFFFAOYSA-N -1 0 343.333 3.725 20 0 EHADRM CC1(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)oc2ccccc23)CCC1 ZINC000845829361 1137313286 /nfs/dbraw/zinc/31/32/86/1137313286.db2.gz XWVCXTNWDWLVKR-UHFFFAOYSA-N -1 0 343.404 3.581 20 0 EHADRM CC(C)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)oc1ccccc12 ZINC000845826187 1137313306 /nfs/dbraw/zinc/31/33/06/1137313306.db2.gz QGIGTIZMCIFTSO-LBPRGKRZSA-N -1 0 345.420 3.683 20 0 EHADRM CC(C)n1ccc([N-]S(=O)(=O)/C=C\c2ccc(Cl)cc2)n1 ZINC000794882568 1137319979 /nfs/dbraw/zinc/31/99/79/1137319979.db2.gz HIOUQQZZWOKBMS-NTMALXAHSA-N -1 0 325.821 3.530 20 0 EHADRM Cc1noc(C)c1CN(C)[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000846237761 1137342670 /nfs/dbraw/zinc/34/26/70/1137342670.db2.gz JVJKXQFUJSNIDZ-CQSZACIVSA-N -1 0 342.317 3.568 20 0 EHADRM CSc1cc(C)nc(SC)c1[N-]C(=O)c1cc(C2CC2)on1 ZINC001146917250 1137397837 /nfs/dbraw/zinc/39/78/37/1137397837.db2.gz ZZEHWHHSJDWDGM-UHFFFAOYSA-N -1 0 335.454 3.952 20 0 EHADRM Cc1cc(NC(=O)c2s[n-]c(=O)c2Cl)ccc1OC(C)C ZINC001147192277 1137401866 /nfs/dbraw/zinc/40/18/66/1137401866.db2.gz YDBOBOBCULLZET-UHFFFAOYSA-N -1 0 326.805 3.850 20 0 EHADRM CCC(CC)(CNC(=O)NCc1ccc(O)c(F)c1)C(F)(F)F ZINC000868995857 1137431905 /nfs/dbraw/zinc/43/19/05/1137431905.db2.gz REYFJFIYVAWXKX-UHFFFAOYSA-N -1 0 336.329 3.699 20 0 EHADRM Cc1cc2c(cn1)[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[O-])CC2 ZINC001148814179 1137435802 /nfs/dbraw/zinc/43/58/02/1137435802.db2.gz PYUZDBXQKDMPNC-AWEZNQCLSA-N -1 0 337.206 3.820 20 0 EHADRM CC(C)(C)OC1CCC(NC(=O)c2cc(F)c(F)c([O-])c2F)CC1 ZINC000870491790 1137495437 /nfs/dbraw/zinc/49/54/37/1137495437.db2.gz YINWOLDKWFADQK-UHFFFAOYSA-N -1 0 345.361 3.666 20 0 EHADRM O=C1CC[C@H](CNc2cc(F)ccc2[S-])CN1Cc1ccccc1 ZINC001171529346 1137496650 /nfs/dbraw/zinc/49/66/50/1137496650.db2.gz PILMMYIVVAKVBX-OAHLLOKOSA-N -1 0 344.455 3.965 20 0 EHADRM COc1ccc(C2(C(=O)[N-]OCCCC(F)(F)F)CCCC2)cc1 ZINC000871211646 1137527079 /nfs/dbraw/zinc/52/70/79/1137527079.db2.gz XDFCQXOUXSDGMU-UHFFFAOYSA-N -1 0 345.361 3.897 20 0 EHADRM O=C([N-]CCCSCc1cc(C(F)(F)F)co1)C(F)(F)F ZINC000871709856 1137555475 /nfs/dbraw/zinc/55/54/75/1137555475.db2.gz IGADWWCUINMYBU-UHFFFAOYSA-N -1 0 335.269 3.600 20 0 EHADRM Cc1sc2ncnc(-n3[n-]c4c(c3=O)CCC(C)(C)C4)c2c1C ZINC000871941561 1137563549 /nfs/dbraw/zinc/56/35/49/1137563549.db2.gz ZHWIYCDNEIKOCB-LLVKDONJSA-N -1 0 328.441 3.837 20 0 EHADRM Cc1cccc(Cc2cc(=O)n([C@H]3CCOC4(CCCC4)C3)[n-]2)c1 ZINC000871963391 1137563868 /nfs/dbraw/zinc/56/38/68/1137563868.db2.gz HMPARZIFHNZMIQ-SFHVURJKSA-N -1 0 326.440 3.618 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1noc(C(C)(C)C)c1C ZINC000872007700 1137564370 /nfs/dbraw/zinc/56/43/70/1137564370.db2.gz YVNLZWHADZVJQI-UHFFFAOYSA-N -1 0 340.470 3.803 20 0 EHADRM O=C(Nc1c(F)cccc1N1CCCC1)c1conc1C(F)(F)F ZINC000825597528 1137578454 /nfs/dbraw/zinc/57/84/54/1137578454.db2.gz PWRORMHSQKSJLB-UHFFFAOYSA-N -1 0 343.280 3.685 20 0 EHADRM CC(C)n1cc(S(=O)(=O)[N-]c2ccc(F)cc2C(C)(F)F)cn1 ZINC000872404202 1137579374 /nfs/dbraw/zinc/57/93/74/1137579374.db2.gz NSWWOHIWRGRXNB-UHFFFAOYSA-N -1 0 347.362 3.516 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)c1ccccc1 ZINC000872703515 1137582865 /nfs/dbraw/zinc/58/28/65/1137582865.db2.gz WWLCOCDBMFVRJN-GVDBMIGSSA-N -1 0 347.455 3.550 20 0 EHADRM CCCCOc1ccc(NC(=O)[C@@H]2CC[C@H](CCC(=O)[O-])O2)c(C)c1 ZINC000872702882 1137582945 /nfs/dbraw/zinc/58/29/45/1137582945.db2.gz PGEHXVAIQQWLRS-PBHICJAKSA-N -1 0 349.427 3.525 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)[C@@](C)(CC(=O)[O-])c2ccsc2)s1 ZINC000872839793 1137585349 /nfs/dbraw/zinc/58/53/49/1137585349.db2.gz ZCWAZQSXMUNNBC-BZNIZROVSA-N -1 0 337.466 3.728 20 0 EHADRM CC(C)C[C@](C)(CC(=O)[O-])C(=O)NCC[C@@]1(C)CC1(Cl)Cl ZINC000872871785 1137585835 /nfs/dbraw/zinc/58/58/35/1137585835.db2.gz IINDCBAEGFHEAO-KGLIPLIRSA-N -1 0 338.275 3.604 20 0 EHADRM CCC(CC)(CC(=O)NCC(CC)(CC)C(F)(F)F)C(=O)[O-] ZINC000872995834 1137587606 /nfs/dbraw/zinc/58/76/06/1137587606.db2.gz HMKNRVNEYUALHC-UHFFFAOYSA-N -1 0 325.371 3.752 20 0 EHADRM Cc1ccc(-c2ccccc2NC(=O)[C@H](C)O[C@@H](C)C(=O)[O-])s1 ZINC000872994137 1137587684 /nfs/dbraw/zinc/58/76/84/1137587684.db2.gz MSTPQWNHNHFJNM-RYUDHWBXSA-N -1 0 333.409 3.540 20 0 EHADRM C[C@@H](NC(=O)CC1(C(=O)[O-])CCCCCC1)c1cc2cnccc2o1 ZINC000873001981 1137587771 /nfs/dbraw/zinc/58/77/71/1137587771.db2.gz ZDKQQPASMNDRKQ-CYBMUJFWSA-N -1 0 344.411 3.820 20 0 EHADRM Cc1ccc(NC(=O)[C@@H](C)O[C@H](C)C(=O)[O-])cc1-c1ccsc1 ZINC000873003992 1137587907 /nfs/dbraw/zinc/58/79/07/1137587907.db2.gz FUZWWDKSZBQEMM-VXGBXAGGSA-N -1 0 333.409 3.540 20 0 EHADRM CC[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1F)c1ccccc1 ZINC000873563319 1137602557 /nfs/dbraw/zinc/60/25/57/1137602557.db2.gz FFBJGYBIOREEKZ-HIFRSBDPSA-N -1 0 349.427 3.527 20 0 EHADRM Cn1nc(C(=O)[O-])cc1CNc1ccc(SC(C)(C)C)c(F)c1 ZINC000874041997 1137609739 /nfs/dbraw/zinc/60/97/39/1137609739.db2.gz PBZMEGPGINBHKR-UHFFFAOYSA-N -1 0 337.420 3.760 20 0 EHADRM CCCC1(CCC)CCCN1C(=O)c1n[n-]c2ccccc2c1=O ZINC000874626893 1137619497 /nfs/dbraw/zinc/61/94/97/1137619497.db2.gz JNHKQEHLUCXQRB-UHFFFAOYSA-N -1 0 327.428 3.910 20 0 EHADRM Cc1cc(COc2ccc(C(=O)[O-])cc2-c2ccc(C=O)cc2)no1 ZINC000874973187 1137627357 /nfs/dbraw/zinc/62/73/57/1137627357.db2.gz WNYITGNWLGJYMR-UHFFFAOYSA-N -1 0 337.331 3.740 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)c2n[n-]c3ccccc3c2=O)c1C ZINC000125532779 1137636967 /nfs/dbraw/zinc/63/69/67/1137636967.db2.gz MJAZCVAKECIIIX-GOSISDBHSA-N -1 0 347.418 3.517 20 0 EHADRM Oc1ccccc1-c1nnc(CN(Cc2ccc(F)cc2)C2CC2)o1 ZINC000877894504 1137694507 /nfs/dbraw/zinc/69/45/07/1137694507.db2.gz OYKSGVHXKJTZRG-UHFFFAOYSA-N -1 0 339.370 3.746 20 0 EHADRM Cc1noc(C2CC2)c1[N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000126799005 1137695493 /nfs/dbraw/zinc/69/54/93/1137695493.db2.gz NFXIZWMAQZZOFJ-CMDGGOBGSA-N -1 0 338.816 3.926 20 0 EHADRM CCCCCc1nnc([N-]C(=O)c2coc(-c3ccccn3)n2)s1 ZINC000878087313 1137701790 /nfs/dbraw/zinc/70/17/90/1137701790.db2.gz JVWVAEZXPREOJJ-UHFFFAOYSA-N -1 0 343.412 3.573 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ncsc2C2CC2)c1 ZINC000882771369 1137833900 /nfs/dbraw/zinc/83/39/00/1137833900.db2.gz ZYKJBGDUVFZYMX-UHFFFAOYSA-N -1 0 345.449 3.678 20 0 EHADRM CC[C@@H](NS(=O)(=O)c1ccc(F)cc1Cl)c1nc(C)cs1 ZINC000104760626 1137879237 /nfs/dbraw/zinc/87/92/37/1137879237.db2.gz FIRSHNGKIAEPCW-LLVKDONJSA-N -1 0 348.852 3.674 20 0 EHADRM Cc1cccc(S([O-])=CC(=O)N(C)[C@H]2CCCc3ccccc32)c1 ZINC000108099903 1137888663 /nfs/dbraw/zinc/88/86/63/1137888663.db2.gz BPSOFXZFUKVTNT-YADARESESA-N -1 0 341.476 3.639 20 0 EHADRM O=C(c1cc(O)c2ccccc2c1)N1CC[C@@H](Cc2nccs2)C1 ZINC000890214616 1137904087 /nfs/dbraw/zinc/90/40/87/1137904087.db2.gz JLKLBXGIXHZWMT-ZDUSSCGKSA-N -1 0 338.432 3.707 20 0 EHADRM O=C(CCC1CC1)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000115351413 1137921735 /nfs/dbraw/zinc/92/17/35/1137921735.db2.gz CIQGYWYVLIKFNN-UHFFFAOYSA-N -1 0 344.436 3.616 20 0 EHADRM CC(C)(C)C1CCN(C(=O)N=c2[n-]nc(-c3ccco3)s2)CC1 ZINC000331862715 1137923425 /nfs/dbraw/zinc/92/34/25/1137923425.db2.gz CVQHMLDPDSPBNF-UHFFFAOYSA-N -1 0 334.445 3.510 20 0 EHADRM Cc1cc(C)c([N-]S(=O)(=O)c2cn3c(n2)CCC[C@H]3C)c(C)c1 ZINC000332230712 1137936517 /nfs/dbraw/zinc/93/65/17/1137936517.db2.gz OILBQGMCSPAYKK-CQSZACIVSA-N -1 0 333.457 3.506 20 0 EHADRM CCC[C@@H]1CCC[C@@H]1C(=O)OCc1nnc(-c2ccccc2O)o1 ZINC000884531535 1137962341 /nfs/dbraw/zinc/96/23/41/1137962341.db2.gz OYSZHMMXEIKIHW-OLZOCXBDSA-N -1 0 330.384 3.702 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)OCc2nnc(-c3ccccc3O)o2)C[C@H]1C ZINC000884531391 1137962388 /nfs/dbraw/zinc/96/23/88/1137962388.db2.gz KZTTWYBVMRKIPN-JHJVBQTASA-N -1 0 330.384 3.558 20 0 EHADRM Cc1cc(Br)ccc1SCC(=O)[N-]OC1CCCC1 ZINC000135132205 1137964043 /nfs/dbraw/zinc/96/40/43/1137964043.db2.gz HRAYYENVDGUNCP-UHFFFAOYSA-N -1 0 344.274 3.840 20 0 EHADRM O=C(c1c([O-])cnc2c(F)cccc21)N1CCc2ccc(Cl)cc21 ZINC001137216552 1137982111 /nfs/dbraw/zinc/98/21/11/1137982111.db2.gz OJGBBYPMISWCIZ-UHFFFAOYSA-N -1 0 342.757 3.936 20 0 EHADRM O=C(NCC[C@@H]1OCCc2ccccc21)c1cc(F)c([O-])c(Cl)c1 ZINC000885931975 1138026146 /nfs/dbraw/zinc/02/61/46/1138026146.db2.gz MJDGGNLQAPJCTL-INIZCTEOSA-N -1 0 349.789 3.619 20 0 EHADRM CCOC[C@@H]1CCCN(C(=O)c2c([O-])cc(Cl)cc2Cl)C1 ZINC000080028074 1138160129 /nfs/dbraw/zinc/16/01/29/1138160129.db2.gz ZHYJCIQACNRKCQ-SNVBAGLBSA-N -1 0 332.227 3.588 20 0 EHADRM COCC1CCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CC1 ZINC000080027719 1138160196 /nfs/dbraw/zinc/16/01/96/1138160196.db2.gz QMGQZDFGSHNJSL-UHFFFAOYSA-N -1 0 333.815 3.697 20 0 EHADRM CCCCO[C@@H]1C[C@H](N(C)C(=O)c2cc(F)cc(F)c2[O-])C1(C)C ZINC001137234597 1138185253 /nfs/dbraw/zinc/18/52/53/1138185253.db2.gz NXXANKCHCHGWOW-LSDHHAIUSA-N -1 0 341.398 3.726 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N[C@H](C2CCCCC2)C(F)(F)F)o1 ZINC000826544028 1138237912 /nfs/dbraw/zinc/23/79/12/1138237912.db2.gz LUVGWOGTTAHMQL-RCQQVGEISA-N -1 0 345.317 3.618 20 0 EHADRM Cc1ccc(C)c(C(=O)NCC[C@@H]2CCCC2(F)F)c1C(=O)[O-] ZINC000887313821 1138262123 /nfs/dbraw/zinc/26/21/23/1138262123.db2.gz KHYYTOHHLVHJIH-LBPRGKRZSA-N -1 0 325.355 3.557 20 0 EHADRM CC(C)c1cc(NC(=O)[C@](C)(CC(=O)[O-])c2ccsc2)ccc1O ZINC000887317731 1138263776 /nfs/dbraw/zinc/26/37/76/1138263776.db2.gz QITZZFCVCMBBBA-GOSISDBHSA-N -1 0 347.436 3.948 20 0 EHADRM O=C([O-])[C@H]1CCCCN1C(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC000887382439 1138294554 /nfs/dbraw/zinc/29/45/54/1138294554.db2.gz IARSZTIUTPZQJI-VXGBXAGGSA-N -1 0 348.296 3.731 20 0 EHADRM Cc1nc(C)c(S(=O)(=O)[N-]c2ccccc2NC(C)(C)C)s1 ZINC000337187063 1138489062 /nfs/dbraw/zinc/48/90/62/1138489062.db2.gz PICDRIWXYCYBIH-UHFFFAOYSA-N -1 0 339.486 3.771 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)c(C)c1 ZINC000348448086 1138577872 /nfs/dbraw/zinc/57/78/72/1138577872.db2.gz LBWBDTKCZNHWJX-UHFFFAOYSA-N -1 0 349.383 3.998 20 0 EHADRM CSc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2O)c1 ZINC000337743597 1138657117 /nfs/dbraw/zinc/65/71/17/1138657117.db2.gz FDRBBGRVAIZNHX-UHFFFAOYSA-N -1 0 329.830 3.568 20 0 EHADRM CO[C@H](C)c1nc(=NCc2nc3cc(Cl)ccc3s2)s[n-]1 ZINC000337934033 1138701003 /nfs/dbraw/zinc/70/10/03/1138701003.db2.gz BXTUDCHYGYAHOU-SSDOTTSWSA-N -1 0 340.861 3.543 20 0 EHADRM c1csc(-c2c[nH]c(CN=c3nc(-c4ccccc4)[n-]s3)n2)c1 ZINC000337944129 1138704005 /nfs/dbraw/zinc/70/40/05/1138704005.db2.gz PSORAFYXJAYNER-UHFFFAOYSA-N -1 0 339.449 3.691 20 0 EHADRM CC[C@H](NC(=O)N=c1[n-]nc(CC(C)C)s1)c1ccc(C)cc1 ZINC000338246492 1138799598 /nfs/dbraw/zinc/79/95/98/1138799598.db2.gz KUDXPYPFHQRMNG-AWEZNQCLSA-N -1 0 332.473 3.740 20 0 EHADRM CC[C@](C)(NC(=O)C(F)(F)c1ccc(OC)cc1)c1nccs1 ZINC000152911694 1139113388 /nfs/dbraw/zinc/11/33/88/1139113388.db2.gz JFLQAYPMGAFYNW-HNNXBMFYSA-N -1 0 340.395 3.685 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)c1cc(F)c([O-])c(F)c1)C(C)(C)C ZINC000889888823 1139282071 /nfs/dbraw/zinc/28/20/71/1139282071.db2.gz CRBKVWGIABZTNJ-MRXNPFEDSA-N -1 0 334.366 3.891 20 0 EHADRM O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cc(F)c([O-])c(F)c1 ZINC000176993622 1139591444 /nfs/dbraw/zinc/59/14/44/1139591444.db2.gz CWDSAWRIDVXXJM-UHFFFAOYSA-N -1 0 347.317 3.964 20 0 EHADRM Cc1ncc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)c(C(C)C)n1 ZINC000178723622 1139714535 /nfs/dbraw/zinc/71/45/35/1139714535.db2.gz OVORKRVYLFAPFO-UHFFFAOYSA-N -1 0 328.397 3.591 20 0 EHADRM CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1cccc(C)c1Cl ZINC000777354434 1139815538 /nfs/dbraw/zinc/81/55/38/1139815538.db2.gz NHMVQGYNYHMRRZ-GFCCVEGCSA-N -1 0 331.865 3.670 20 0 EHADRM CCC(CC)[C@H]1C[C@H](NC(=O)c2cc(F)c(F)c([O-])c2F)CCO1 ZINC000184483074 1140104803 /nfs/dbraw/zinc/10/48/03/1140104803.db2.gz AHOZXHDHFWMACF-ZWNOBZJWSA-N -1 0 345.361 3.523 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N(Cc1ccc(O)cc1)CC1CC1 ZINC000184510501 1140106049 /nfs/dbraw/zinc/10/60/49/1140106049.db2.gz VREIYWJLSSNFRJ-UHFFFAOYSA-N -1 0 349.789 3.943 20 0 EHADRM COc1cccc(OC)c1S(=O)(=O)[N-]c1ccc(C(C)C)cc1 ZINC000186905566 1140227662 /nfs/dbraw/zinc/22/76/62/1140227662.db2.gz GCFAYIIQRVQHBC-UHFFFAOYSA-N -1 0 335.425 3.628 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccsc2Cl)Cc2ccccc2C1 ZINC000187752725 1140269893 /nfs/dbraw/zinc/26/98/93/1140269893.db2.gz POIFBGFZCIZVEO-UHFFFAOYSA-N -1 0 335.812 3.600 20 0 EHADRM Cc1occc1S([O-])=CC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000189621354 1140355655 /nfs/dbraw/zinc/35/56/55/1140355655.db2.gz JZPZPKLQAAIXHP-DVECYGJZSA-N -1 0 345.464 3.743 20 0 EHADRM Cc1occc1S([O-])=CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000189628152 1140355731 /nfs/dbraw/zinc/35/57/31/1140355731.db2.gz MIPCTFMXOSWWMC-SAHAZLINSA-N -1 0 339.844 3.569 20 0 EHADRM COc1cc(Cl)c(Cl)cc1NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000190200391 1140392181 /nfs/dbraw/zinc/39/21/81/1140392181.db2.gz SJFAOUAQIUNMPJ-UHFFFAOYSA-N -1 0 346.210 3.976 20 0 EHADRM CC[C@@H](C(=O)Nc1ccc(OCC(=O)[O-])cc1C)c1ccc(F)cc1 ZINC000190948357 1140427363 /nfs/dbraw/zinc/42/73/63/1140427363.db2.gz HZEZCQGRHKVMGI-MRXNPFEDSA-N -1 0 345.370 3.730 20 0 EHADRM O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1cc(F)c([O-])c(Cl)c1 ZINC000192488631 1140535631 /nfs/dbraw/zinc/53/56/31/1140535631.db2.gz GJZAGJCUENRHJI-BBRMVZONSA-N -1 0 349.789 3.835 20 0 EHADRM CC(C)c1ccc(C[C@@H](C)NC(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000192971885 1140557074 /nfs/dbraw/zinc/55/70/74/1140557074.db2.gz OWOWPCGFTBQUDH-RWBZWWBESA-N -1 0 331.456 3.748 20 0 EHADRM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C1 ZINC000192968444 1140557135 /nfs/dbraw/zinc/55/71/35/1140557135.db2.gz BMLSBGPZGHFTPX-PWXKEOIMSA-N -1 0 333.403 3.626 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)C2CCC(C(=O)[O-])CC2)c1C ZINC000194422100 1140608624 /nfs/dbraw/zinc/60/86/24/1140608624.db2.gz ISCMJSYVZFXXCJ-LEOMRAHMSA-N -1 0 329.440 3.858 20 0 EHADRM Cc1nccn1-c1ccc(CNCc2cccc(O)c2Cl)cc1F ZINC000339206200 1141527977 /nfs/dbraw/zinc/52/79/77/1141527977.db2.gz ZBMMRPNLIRCHRM-UHFFFAOYSA-N -1 0 345.805 3.969 20 0 EHADRM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1s[n-]c(=O)c1Cl ZINC000283227104 1141576235 /nfs/dbraw/zinc/57/62/35/1141576235.db2.gz BCUCUIGWPZHTEL-MADCSZMMSA-N -1 0 340.807 3.695 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1ccc(Br)cc1F ZINC000019485527 202008772 /nfs/dbraw/zinc/00/87/72/202008772.db2.gz ILJHMMHKAYQOQA-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM CCN(CC(=O)[O-])C(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000038015836 202085493 /nfs/dbraw/zinc/08/54/93/202085493.db2.gz PGYOAJCSCAJIGS-UHFFFAOYSA-N -1 0 332.208 3.755 20 0 EHADRM O=S(=O)([N-]c1cccc2cccnc21)c1ccc(F)cc1Cl ZINC000044255384 201102231 /nfs/dbraw/zinc/10/22/31/201102231.db2.gz SOVUWJFYUJDUKF-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cc(F)ccc2Br)c1 ZINC000013259615 207368211 /nfs/dbraw/zinc/36/82/11/207368211.db2.gz PGKFXHOJCUNOAF-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cccs2)noc1-c1ccccc1F ZINC000366001351 564033237 /nfs/dbraw/zinc/03/32/37/564033237.db2.gz QFVCVPKOEBGVNL-UHFFFAOYSA-N -1 0 338.385 3.651 20 0 EHADRM C[C@H](Sc1c2ccccc2nnc1-c1nnn[n-]1)c1cccs1 ZINC000736193440 598970579 /nfs/dbraw/zinc/97/05/79/598970579.db2.gz RBHMMVFDXAZSNO-VIFPVBQESA-N -1 0 340.437 3.725 20 0 EHADRM CC(C)[C@@H](NC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000262931872 596939717 /nfs/dbraw/zinc/93/97/17/596939717.db2.gz GMUGSJIQGIXYCV-OAHLLOKOSA-N -1 0 338.835 3.543 20 0 EHADRM C[C@@]1(c2ccccc2)CCN(C(=O)Nc2cccc(CC(=O)[O-])c2)C1 ZINC000818084833 596967415 /nfs/dbraw/zinc/96/74/15/596967415.db2.gz DIHCKICJBDFRHU-HXUWFJFHSA-N -1 0 338.407 3.509 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)c2ccc3c(c2)-c2ccccc2C3)C1 ZINC000769523951 597096204 /nfs/dbraw/zinc/09/62/04/597096204.db2.gz CIYCBSDRUYQGSH-CQSZACIVSA-N -1 0 335.403 3.585 20 0 EHADRM CC(C)(CCCc1ccccc1)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000533196534 597098281 /nfs/dbraw/zinc/09/82/81/597098281.db2.gz RITKZVPUFMDRCF-QGZVFWFLSA-N -1 0 331.456 3.749 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2ccc(SC(F)(F)F)cc2)C1 ZINC000390475405 597099750 /nfs/dbraw/zinc/09/97/50/597099750.db2.gz IGMBCMXJHDZREH-JTQLQIEISA-N -1 0 347.358 3.625 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)Nc2cc(Cl)cc3cccnc32)C1 ZINC000521986303 597116415 /nfs/dbraw/zinc/11/64/15/597116415.db2.gz ZIALEXZDGJTJLY-LLVKDONJSA-N -1 0 347.802 3.607 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)NC1(Cc2ccccc2)CCC1 ZINC000819608799 597122078 /nfs/dbraw/zinc/12/20/78/597122078.db2.gz BUKJWZWUNFNGRE-UHFFFAOYSA-N -1 0 338.407 3.601 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000263062443 597140473 /nfs/dbraw/zinc/14/04/73/597140473.db2.gz OSOUBSCLUJFNHQ-UHFFFAOYSA-N -1 0 332.322 3.556 20 0 EHADRM CC(C)(C)c1ncc(/C=C\C(=O)Nc2cccc(CC(=O)[O-])c2)s1 ZINC000492196503 597158084 /nfs/dbraw/zinc/15/80/84/597158084.db2.gz BKZCSMCYVQATCY-FPLPWBNLSA-N -1 0 344.436 3.720 20 0 EHADRM CC[C@@H](NC(=S)NCc1ccc(C(=O)[O-])cc1)c1cccs1 ZINC000736920490 597164160 /nfs/dbraw/zinc/16/41/60/597164160.db2.gz UUHQUPNNMMAXEN-CYBMUJFWSA-N -1 0 334.466 3.562 20 0 EHADRM C[C@@H]1c2c(F)cccc2CCN1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737766184 597188273 /nfs/dbraw/zinc/18/82/73/597188273.db2.gz PEHBKDKEIUOMCD-GFCCVEGCSA-N -1 0 342.370 3.604 20 0 EHADRM C[C@@H](c1ccccc1F)N(C)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000325796195 597202174 /nfs/dbraw/zinc/20/21/74/597202174.db2.gz WZKUXGJAUQZFAZ-LBPRGKRZSA-N -1 0 330.359 3.678 20 0 EHADRM Cc1cccc(NCc2ccc(C(=O)[O-])cc2)c1C(=O)N1CCCC1 ZINC000818950890 597300783 /nfs/dbraw/zinc/30/07/83/597300783.db2.gz ZLENMNFNSRVQOT-UHFFFAOYSA-N -1 0 338.407 3.541 20 0 EHADRM COc1ccccc1-c1nnc(SCc2ccc(C(=O)[O-])cc2)o1 ZINC000012177153 597301301 /nfs/dbraw/zinc/30/13/01/597301301.db2.gz DJFNZPSINJOVPB-UHFFFAOYSA-N -1 0 342.376 3.736 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000819610787 597327319 /nfs/dbraw/zinc/32/73/19/597327319.db2.gz UOJUCMBGQKKETN-IBGZPJMESA-N -1 0 338.407 3.977 20 0 EHADRM Cc1ccc([C@H](C)CNC(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000818879021 597338621 /nfs/dbraw/zinc/33/86/21/597338621.db2.gz HLGMIORNUWKUKI-CQSZACIVSA-N -1 0 326.396 3.547 20 0 EHADRM CC[C@H](CC(=O)Nc1ccccc1CC(=O)[O-])c1ccc(OC)cc1 ZINC000263288983 597376790 /nfs/dbraw/zinc/37/67/90/597376790.db2.gz QMQQBGQYTHBNQE-CQSZACIVSA-N -1 0 341.407 3.845 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000821539310 597380225 /nfs/dbraw/zinc/38/02/25/597380225.db2.gz GDZBTHDSHHDJON-INIZCTEOSA-N -1 0 344.798 3.946 20 0 EHADRM CN(Cc1cc2ccccc2o1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818473438 597412656 /nfs/dbraw/zinc/41/26/56/597412656.db2.gz GJTWTNHQLIVQCI-UHFFFAOYSA-N -1 0 338.363 3.724 20 0 EHADRM C[C@@H](NC(=O)Nc1ccccc1CC(=O)[O-])[C@H](C)c1ccccc1 ZINC000818039571 597438229 /nfs/dbraw/zinc/43/82/29/597438229.db2.gz HCLQUQBANGAXPG-UONOGXRCSA-N -1 0 326.396 3.627 20 0 EHADRM O=C([O-])CCCCCNC(=O)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000414619595 597607051 /nfs/dbraw/zinc/60/70/51/597607051.db2.gz BPLXZDZYDBBFIL-QOHRORDFSA-N -1 0 330.428 3.519 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(OCc3cccnc3)c2)cc1 ZINC000548857638 598154850 /nfs/dbraw/zinc/15/48/50/598154850.db2.gz MKRJFQVJVZJYEK-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)NCCCCC(=O)[O-])ccc2o1 ZINC000669499402 598169169 /nfs/dbraw/zinc/16/91/69/598169169.db2.gz UEJGWODURALBLK-UHFFFAOYSA-N -1 0 333.388 3.502 20 0 EHADRM COCc1c2ccccc2oc1C(=O)Nc1ccccc1C(=O)[O-] ZINC000620419440 598180545 /nfs/dbraw/zinc/18/05/45/598180545.db2.gz XMIFCSXIESIXQK-UHFFFAOYSA-N -1 0 325.320 3.530 20 0 EHADRM Cc1ccc(C)c(OCCC(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC000325040154 599704866 /nfs/dbraw/zinc/70/48/66/599704866.db2.gz PGCLYIXNFDRTJW-UHFFFAOYSA-N -1 0 331.343 3.548 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000738121586 599705201 /nfs/dbraw/zinc/70/52/01/599705201.db2.gz RKIBPUDCCUQSGW-HCRIHEDKSA-N -1 0 330.336 3.694 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)NCCSCc1ccccc1F ZINC000740046373 599706901 /nfs/dbraw/zinc/70/69/01/599706901.db2.gz VLCWIUAMOGHJJF-UHFFFAOYSA-N -1 0 348.399 3.579 20 0 EHADRM Cc1ccc(CSCCNC(=O)c2ccccc2NC(=O)[O-])cc1 ZINC000738602217 599706933 /nfs/dbraw/zinc/70/69/33/599706933.db2.gz KPVWNMMXDZWTNV-UHFFFAOYSA-N -1 0 344.436 3.748 20 0 EHADRM O=C([O-])NCCC(=O)N[C@H](CCCc1ccccc1)c1ccccc1 ZINC000739941571 599713646 /nfs/dbraw/zinc/71/36/46/599713646.db2.gz LBEFIAZTZNYKKT-GOSISDBHSA-N -1 0 340.423 3.525 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)ccc1F ZINC000740006754 599715379 /nfs/dbraw/zinc/71/53/79/599715379.db2.gz WLYCHRJJZXFUIN-OCCSQVGLSA-N -1 0 347.321 3.732 20 0 EHADRM CCC[C@](C)(NC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000236826990 599717514 /nfs/dbraw/zinc/71/75/14/599717514.db2.gz DNNMLDBEIFFWGC-UWVAXJGDSA-N -1 0 325.408 3.703 20 0 EHADRM C[C@H](c1ccc2ccccc2c1)N(C(=O)CCCNC(=O)[O-])C1CC1 ZINC000736715823 599725969 /nfs/dbraw/zinc/72/59/69/599725969.db2.gz AFIJVCKZQNGDKF-CQSZACIVSA-N -1 0 340.423 3.940 20 0 EHADRM CCC[C@H](NC(=O)CCNC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000736970371 599728251 /nfs/dbraw/zinc/72/82/51/599728251.db2.gz LADHNFHOYLSPKO-LBPRGKRZSA-N -1 0 333.215 3.609 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21)c1ccccc1 ZINC000238021838 599729003 /nfs/dbraw/zinc/72/90/03/599729003.db2.gz REDMFYXIKZKPGR-VAMGGRTRSA-N -1 0 345.398 3.885 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)O[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000739554360 599729392 /nfs/dbraw/zinc/72/93/92/599729392.db2.gz BUOWLTXUOWBGRJ-PMPSAXMXSA-N -1 0 330.767 3.693 20 0 EHADRM O=C([O-])NCCCC(=O)Nc1ccc(CCCc2ccccc2)cc1 ZINC000739959779 599731253 /nfs/dbraw/zinc/73/12/53/599731253.db2.gz AEKRZHLCQQLPRQ-UHFFFAOYSA-N -1 0 340.423 3.848 20 0 EHADRM Cc1cc(NC(=O)c2cc(-c3csc(C)n3)c[nH]2)sc1C(=O)[O-] ZINC000320111897 599734090 /nfs/dbraw/zinc/73/40/90/599734090.db2.gz ZZSHJVZLORFUHG-UHFFFAOYSA-N -1 0 347.421 3.767 20 0 EHADRM CCc1[nH]c(C(=O)N[C@](C)(CC)c2ccccc2)c(C)c1C(=O)[O-] ZINC000737240328 599734139 /nfs/dbraw/zinc/73/41/39/599734139.db2.gz IYUBHXSZVCRANS-LJQANCHMSA-N -1 0 328.412 3.639 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)/C=C/c1ccc2ccc(Cl)cc2n1)C(=O)[O-] ZINC000236976703 599743504 /nfs/dbraw/zinc/74/35/04/599743504.db2.gz LBGOZWWNAYJSQJ-SNVVVFEHSA-N -1 0 346.814 3.517 20 0 EHADRM O=C([O-])c1ccc(OC(=O)Cc2c[nH]c3cc(Cl)ccc23)cc1 ZINC000738482026 599744644 /nfs/dbraw/zinc/74/46/44/599744644.db2.gz NXVRERDIRDABKE-UHFFFAOYSA-N -1 0 329.739 3.668 20 0 EHADRM CCc1ccc([C@H](C)C(=O)Nc2ccc(OC)cc2C(=O)[O-])cc1 ZINC000737257516 599745989 /nfs/dbraw/zinc/74/59/89/599745989.db2.gz QDGHNMCWPZYKHL-LBPRGKRZSA-N -1 0 327.380 3.698 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)Nc1ccc2scnc2c1)c1cccs1 ZINC000739628652 599758167 /nfs/dbraw/zinc/75/81/67/599758167.db2.gz VVQOKIJDYHMDHZ-LLVKDONJSA-N -1 0 347.421 3.695 20 0 EHADRM CCSc1ccc(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cn1 ZINC000737228683 599764659 /nfs/dbraw/zinc/76/46/59/599764659.db2.gz DRRVNSOTBINCCZ-UHFFFAOYSA-N -1 0 335.360 3.675 20 0 EHADRM O=C([O-])c1ccc(N2CCCC2)c(NC(=O)C2CCCCCC2)c1 ZINC000740143139 599764809 /nfs/dbraw/zinc/76/48/09/599764809.db2.gz DJGWGKGZLYWYOU-UHFFFAOYSA-N -1 0 330.428 3.894 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000237839958 599765900 /nfs/dbraw/zinc/76/59/00/599765900.db2.gz MFCIRSOFRNZVOV-UHFFFAOYSA-N -1 0 339.391 3.614 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2ccc(CCC(=O)[O-])cc2)s1 ZINC000738504213 599767511 /nfs/dbraw/zinc/76/75/11/599767511.db2.gz UTBWJWFWEBDVFL-UHFFFAOYSA-N -1 0 345.420 3.675 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc(CCC(=O)[O-])cc2)o1 ZINC000326951986 599768364 /nfs/dbraw/zinc/76/83/64/599768364.db2.gz JVSNADBTZNBDCC-SUMWQHHRSA-N -1 0 341.407 3.992 20 0 EHADRM Cc1cccc2[nH]cc(CC(=O)Nc3ccc(CCC(=O)[O-])cc3)c21 ZINC000237738588 599772354 /nfs/dbraw/zinc/77/23/54/599772354.db2.gz CXQDERBEKAFVEX-UHFFFAOYSA-N -1 0 336.391 3.675 20 0 EHADRM O=C([O-])[C@H](NCc1cc(-c2ccc(Cl)cc2)no1)c1ccccc1 ZINC000739498559 599783380 /nfs/dbraw/zinc/78/33/80/599783380.db2.gz AQLUZNZDVJVBPL-QGZVFWFLSA-N -1 0 342.782 3.911 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)OC(=O)C[C@@H](C)CC(C)C ZINC000738525567 599785677 /nfs/dbraw/zinc/78/56/77/599785677.db2.gz LRBRFCLGFIQUPE-JSGCOSHPSA-N -1 0 349.427 3.636 20 0 EHADRM O=C([O-])c1ccccc1C(=O)OCC(=O)c1cccc2ccccc21 ZINC000740242738 599787339 /nfs/dbraw/zinc/78/73/39/599787339.db2.gz SUBJSLJSLXFSCF-UHFFFAOYSA-N -1 0 334.327 3.578 20 0 EHADRM Cc1ccc(OCCCOC(=O)c2ccccc2C(=O)[O-])cc1C ZINC000738643208 599788404 /nfs/dbraw/zinc/78/84/04/599788404.db2.gz JAPKHAIMNRWNDF-UHFFFAOYSA-N -1 0 328.364 3.628 20 0 EHADRM Cc1ccc2c(CC(=O)O[C@H](C)c3ccc(C(=O)[O-])o3)c[nH]c2c1 ZINC000738666030 599789948 /nfs/dbraw/zinc/78/99/48/599789948.db2.gz QEAZMAMFLQCHRY-LLVKDONJSA-N -1 0 327.336 3.614 20 0 EHADRM CC[C@@](C)(NC(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000736861865 599795272 /nfs/dbraw/zinc/79/52/72/599795272.db2.gz SIKWGLZKXUFQCM-HXUWFJFHSA-N -1 0 340.423 3.552 20 0 EHADRM O=C([O-])c1coc(CSc2nnc(NC3CCCCC3)s2)c1 ZINC000740269661 599803307 /nfs/dbraw/zinc/80/33/07/599803307.db2.gz SUFHSDOYNKBQDC-UHFFFAOYSA-N -1 0 339.442 3.866 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000740239502 599806422 /nfs/dbraw/zinc/80/64/22/599806422.db2.gz GKSKUNLDEQDHOK-CYBMUJFWSA-N -1 0 328.343 3.545 20 0 EHADRM O=C([O-])c1cc(NC(=O)C[C@@H]2CCCc3ccccc32)ccc1F ZINC000739220772 599812788 /nfs/dbraw/zinc/81/27/88/599812788.db2.gz CGCISHNDUUWTMN-ZDUSSCGKSA-N -1 0 327.355 3.973 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C[C@H]1CCCc2ccccc21 ZINC000358599832 599816053 /nfs/dbraw/zinc/81/60/53/599816053.db2.gz XKRQTLKBVXLMFL-JFRXWTBNSA-N -1 0 341.451 3.741 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1)C(=O)[O-] ZINC000236963308 599816517 /nfs/dbraw/zinc/81/65/17/599816517.db2.gz NMLZYIFKYVNJKE-LXIYXOSZSA-N -1 0 343.423 3.567 20 0 EHADRM Cc1c(NC(=O)NCc2nc(C(C)(C)C)cs2)cccc1C(=O)[O-] ZINC000738305122 599817263 /nfs/dbraw/zinc/81/72/63/599817263.db2.gz GLMLLOKVPSBPML-UHFFFAOYSA-N -1 0 347.440 3.769 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccccc1 ZINC000325566344 599824725 /nfs/dbraw/zinc/82/47/25/599824725.db2.gz XYOBZRVJCRPFRM-KRWDZBQOSA-N -1 0 326.396 3.977 20 0 EHADRM O=C([O-])c1c(NC(=O)Cc2cc3ccccc3o2)sc2c1CCC2 ZINC000739342543 599833836 /nfs/dbraw/zinc/83/38/36/599833836.db2.gz XOHZLCZCIYIONO-UHFFFAOYSA-N -1 0 341.388 3.862 20 0 EHADRM CC(C)(NC(=O)[O-])C(=O)Nc1cccc(Sc2ccccc2)c1 ZINC000736332526 599833859 /nfs/dbraw/zinc/83/38/59/599833859.db2.gz JXMPHHGPSUVXCL-UHFFFAOYSA-N -1 0 330.409 3.823 20 0 EHADRM O=C([O-])NCCCC(=O)Nc1cccc(Sc2ccccc2)c1 ZINC000739967771 599834220 /nfs/dbraw/zinc/83/42/20/599834220.db2.gz XKPBHKAGUNHERL-UHFFFAOYSA-N -1 0 330.409 3.824 20 0 EHADRM Cc1nc(-c2ccco2)ccc1C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000738336269 599837052 /nfs/dbraw/zinc/83/70/52/599837052.db2.gz GSZDLEHNBGCSTA-UHFFFAOYSA-N -1 0 336.347 3.625 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000736708944 599837384 /nfs/dbraw/zinc/83/73/84/599837384.db2.gz LVCNDLCMRJPVPE-ZDUSSCGKSA-N -1 0 329.421 3.670 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2sccc2C(=O)[O-])cc1C ZINC000738501995 599840817 /nfs/dbraw/zinc/84/08/17/599840817.db2.gz CSNKPBMQYYPVKX-UHFFFAOYSA-N -1 0 331.393 3.665 20 0 EHADRM CCCN(C(=O)CCCN(C)C(=O)[O-])c1cccc2ccccc21 ZINC000737010144 599841330 /nfs/dbraw/zinc/84/13/30/599841330.db2.gz YMIFZAKLYOZTOE-UHFFFAOYSA-N -1 0 328.412 3.973 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)/C=C/c1cncc(F)c1 ZINC000739216182 599842109 /nfs/dbraw/zinc/84/21/09/599842109.db2.gz JXCUDXZWJALONV-AATRIKPKSA-N -1 0 336.322 3.724 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(C)oc2C)cc1 ZINC000237361403 599849201 /nfs/dbraw/zinc/84/92/01/599849201.db2.gz VMENNEILMSAQLQ-HNNXBMFYSA-N -1 0 333.409 3.564 20 0 EHADRM CCc1ccc(-c2noc(CNc3cccc(F)c3C(=O)[O-])n2)cc1 ZINC000737255482 599856118 /nfs/dbraw/zinc/85/61/18/599856118.db2.gz DLTQHRSDATXJQN-UHFFFAOYSA-N -1 0 341.342 3.748 20 0 EHADRM Cc1cccc(NC(=O)Cc2nc(-c3cc(C(=O)[O-])co3)cs2)c1 ZINC000738734350 599859114 /nfs/dbraw/zinc/85/91/14/599859114.db2.gz KQDVPGOGTXTGHI-UHFFFAOYSA-N -1 0 342.376 3.591 20 0 EHADRM COc1ccc(COCCSCc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000738010481 599870488 /nfs/dbraw/zinc/87/04/88/599870488.db2.gz KKMVUNUHUDWLDY-UHFFFAOYSA-N -1 0 336.409 3.745 20 0 EHADRM CCCO[C@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])ccc2C)CC1 ZINC000737027609 599870799 /nfs/dbraw/zinc/87/07/99/599870799.db2.gz GAKVAYXFPMBXPY-HNNXBMFYSA-N -1 0 334.416 3.506 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)c1ccccc1F ZINC000739436499 599872657 /nfs/dbraw/zinc/87/26/57/599872657.db2.gz OQBLNLITTGIBQG-UHFFFAOYSA-N -1 0 329.352 3.669 20 0 EHADRM O=C([O-])c1coc(COC(=O)c2ccc(Oc3ccccc3)nc2)c1 ZINC000740269144 599883261 /nfs/dbraw/zinc/88/32/61/599883261.db2.gz CAIHRBIZEHXMQX-UHFFFAOYSA-N -1 0 339.303 3.522 20 0 EHADRM COc1ccc(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000737948021 599885317 /nfs/dbraw/zinc/88/53/17/599885317.db2.gz PFIBEIMVLRIWJP-JTQLQIEISA-N -1 0 334.755 3.965 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000736380583 599888165 /nfs/dbraw/zinc/88/81/65/599888165.db2.gz HHCFICPQKCWHAF-INIZCTEOSA-N -1 0 328.368 3.710 20 0 EHADRM Cc1ccccc1C1(CNC(=O)Nc2cccc(C(=O)[O-])c2C)CC1 ZINC000738759873 599891870 /nfs/dbraw/zinc/89/18/70/599891870.db2.gz DKKCSUQPBRIHCF-UHFFFAOYSA-N -1 0 338.407 3.855 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)N2CCC3(CCCCC3)CC2)cc1 ZINC000392183067 599893048 /nfs/dbraw/zinc/89/30/48/599893048.db2.gz ZNSJQYSYZZHKLE-UHFFFAOYSA-N -1 0 330.428 3.892 20 0 EHADRM COc1cccc(C2(C(=O)OCc3ccc(C(=O)[O-])o3)CCCC2)c1 ZINC000738096884 599893140 /nfs/dbraw/zinc/89/31/40/599893140.db2.gz QYNQVBGUPKGPQW-UHFFFAOYSA-N -1 0 344.363 3.542 20 0 EHADRM CCC(CC)c1nnc(NC(=O)c2cccc(NC(=O)[O-])c2)s1 ZINC000736904062 599894869 /nfs/dbraw/zinc/89/48/69/599894869.db2.gz GQXWTUYXRVEHKG-UHFFFAOYSA-N -1 0 334.401 3.784 20 0 EHADRM CCC(CC)[C@H](NC(=O)N[C@@H]1CCCN(C(=O)[O-])C1)c1ccccc1 ZINC000736895014 599895243 /nfs/dbraw/zinc/89/52/43/599895243.db2.gz LUNBPJGFZVMUIC-SJORKVTESA-N -1 0 347.459 3.606 20 0 EHADRM O=C([O-])c1cccc(OCCSCc2nc3ccccc3[nH]2)c1 ZINC000740232774 599896932 /nfs/dbraw/zinc/89/69/32/599896932.db2.gz WMAOXUKOKFXAKU-UHFFFAOYSA-N -1 0 328.393 3.573 20 0 EHADRM C[C@@H]1CC(=O)c2c1c(F)ccc2OC(=O)c1cccc(NC(=O)[O-])c1 ZINC000736751552 599897832 /nfs/dbraw/zinc/89/78/32/599897832.db2.gz WFKWAIREDCRDPM-SECBINFHSA-N -1 0 343.310 3.825 20 0 EHADRM CCOc1ccc(N(CC)C(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000737202576 599903208 /nfs/dbraw/zinc/90/32/08/599903208.db2.gz GUXBTGSTOZOJPQ-UHFFFAOYSA-N -1 0 328.368 3.842 20 0 EHADRM CCc1[nH]c(C(=O)N[C@H](C)Cc2ccc(C)cc2C)c(C)c1C(=O)[O-] ZINC000737243364 599904125 /nfs/dbraw/zinc/90/41/25/599904125.db2.gz YKKFMEOAVMXOBB-CYBMUJFWSA-N -1 0 342.439 3.562 20 0 EHADRM O=C([O-])c1cnc(/C=C\c2ccc(Br)cc2F)s1 ZINC000207207004 599907519 /nfs/dbraw/zinc/90/75/19/599907519.db2.gz GLVZBFOWTJHCJY-RQOWECAXSA-N -1 0 328.162 3.913 20 0 EHADRM CCCOc1ccc(COC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000737030711 599908627 /nfs/dbraw/zinc/90/86/27/599908627.db2.gz BEYNCCWEMVYGQX-UHFFFAOYSA-N -1 0 329.352 3.922 20 0 EHADRM Cc1oc(-c2cccs2)nc1COc1ccc(C(=O)[O-])cc1C=O ZINC000738955161 599909721 /nfs/dbraw/zinc/90/97/21/599909721.db2.gz AVQGCSMOZCHNGM-UHFFFAOYSA-N -1 0 343.360 3.801 20 0 EHADRM CC(C)[C@@H](CC(=O)N[C@H](C(=O)[O-])c1cccs1)c1ccccc1 ZINC000448987287 599911598 /nfs/dbraw/zinc/91/15/98/599911598.db2.gz ASXZNWLFVUASPG-PBHICJAKSA-N -1 0 331.437 3.820 20 0 EHADRM C[C@@H](CN(C(=O)[C@H](C)Sc1ccccc1Cl)C1CC1)C(=O)[O-] ZINC000237456443 599916671 /nfs/dbraw/zinc/91/66/71/599916671.db2.gz XVUCYPNXECIFOO-QWRGUYRKSA-N -1 0 341.860 3.532 20 0 EHADRM CC(C)c1ccc(SCC(=O)N(C[C@H](C)C(=O)[O-])C2CC2)cc1 ZINC000540924228 599918099 /nfs/dbraw/zinc/91/80/99/599918099.db2.gz PKPILQHQUAPUIJ-ZDUSSCGKSA-N -1 0 335.469 3.614 20 0 EHADRM Cc1c(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)sc2cccc(F)c12 ZINC000237390813 599921620 /nfs/dbraw/zinc/92/16/20/599921620.db2.gz PZALTNQMLDHEFQ-SECBINFHSA-N -1 0 335.400 3.674 20 0 EHADRM Cc1ccc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)cc1F ZINC000237626696 599921795 /nfs/dbraw/zinc/92/17/95/599921795.db2.gz WQFYVFFCNDOQFS-UHFFFAOYSA-N -1 0 333.384 3.704 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)CCc2ccccc2F)c1 ZINC000238071476 599921870 /nfs/dbraw/zinc/92/18/70/599921870.db2.gz ZSQUGTCFRNXGMI-UHFFFAOYSA-N -1 0 347.411 3.715 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)/C=C/c2ccsc2)c1 ZINC000492141070 599922253 /nfs/dbraw/zinc/92/22/53/599922253.db2.gz RUFQKMXQVQSEKF-SNAWJCMRSA-N -1 0 333.434 3.718 20 0 EHADRM C[C@@H]1CCCC[C@H]1NC(=S)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000736785481 599926662 /nfs/dbraw/zinc/92/66/62/599926662.db2.gz PSSCWHACAYCXKQ-FVQBIDKESA-N -1 0 334.485 3.635 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000178068909 599927712 /nfs/dbraw/zinc/92/77/12/599927712.db2.gz UPIMYZQLLIZCHY-UHFFFAOYSA-N -1 0 333.334 3.567 20 0 EHADRM Cc1ccc(NC(=O)Cc2coc(-c3cccs3)n2)c(C(=O)[O-])c1 ZINC000184943693 599927944 /nfs/dbraw/zinc/92/79/44/599927944.db2.gz ZLIGOOSXIOXWFD-UHFFFAOYSA-N -1 0 342.376 3.591 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2ccc(SC(F)(F)F)cc2)o1 ZINC000740289720 599929169 /nfs/dbraw/zinc/92/91/69/599929169.db2.gz JAAUJALNCUDJFS-UHFFFAOYSA-N -1 0 346.282 3.947 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N[C@@H](CCC(=O)[O-])c3ccccc3)cc2c1 ZINC000531998691 599952381 /nfs/dbraw/zinc/95/23/81/599952381.db2.gz BKBBVPFQBLVSJK-INIZCTEOSA-N -1 0 336.391 3.812 20 0 EHADRM Cc1ccccc1NCCC(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000738778653 599952458 /nfs/dbraw/zinc/95/24/58/599952458.db2.gz RJHYICJFFVWFKY-SFHVURJKSA-N -1 0 340.423 3.519 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccc(Oc3ccccc3)cn2)c1 ZINC000740215630 599952696 /nfs/dbraw/zinc/95/26/96/599952696.db2.gz GSRCQDQYUITGEG-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM O=C([O-])c1ccoc1COC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000740252899 599953312 /nfs/dbraw/zinc/95/33/12/599953312.db2.gz OSEPUQCTELUXNN-IRXDYDNUSA-N -1 0 336.343 3.978 20 0 EHADRM Cc1ccc(NC(=O)CNc2ccc(C(=O)[O-])c(C)c2)cc1Cl ZINC000738621842 599962842 /nfs/dbraw/zinc/96/28/42/599962842.db2.gz NSCVOWPQIPVMKQ-UHFFFAOYSA-N -1 0 332.787 3.706 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)CCSc2ccccc2)c1 ZINC000321919689 599998613 /nfs/dbraw/zinc/99/86/13/599998613.db2.gz ISBROHQNODGQOR-UHFFFAOYSA-N -1 0 331.393 3.514 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)/C=C/c2ccccc2Cl)c1 ZINC000391377353 599998659 /nfs/dbraw/zinc/99/86/59/599998659.db2.gz YDECWAQUKCFZQF-RMKNXTFCSA-N -1 0 331.755 3.699 20 0 EHADRM Cc1ccc(C)c(OCCOC(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000738577035 599999188 /nfs/dbraw/zinc/99/91/88/599999188.db2.gz KKXFPFHSHKCADO-UHFFFAOYSA-N -1 0 329.352 3.629 20 0 EHADRM COCCC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)[O-] ZINC000737755036 600007154 /nfs/dbraw/zinc/00/71/54/600007154.db2.gz WITKTHAOFQLOBF-UHFFFAOYSA-N -1 0 339.800 3.742 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CCC[C@H]1C1CC1 ZINC000736488552 600010301 /nfs/dbraw/zinc/01/03/01/600010301.db2.gz SYIROFLECGVVEG-HNNXBMFYSA-N -1 0 332.400 3.578 20 0 EHADRM Cc1cc(NC(=O)NCC2(c3ccc(F)cc3)CC2)ccc1C(=O)[O-] ZINC000738443713 600016216 /nfs/dbraw/zinc/01/62/16/600016216.db2.gz XLSBOQCKUJWFNO-UHFFFAOYSA-N -1 0 342.370 3.686 20 0 EHADRM CC1(C)CCN(C(=O)Nc2cccc(CSCC(=O)[O-])c2)CC1 ZINC000736732364 600019475 /nfs/dbraw/zinc/01/94/75/600019475.db2.gz HQEXJRXLSJNGJP-UHFFFAOYSA-N -1 0 336.457 3.658 20 0 EHADRM C[C@H](OC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccc(C(=O)[O-])o1 ZINC000736685183 600020654 /nfs/dbraw/zinc/02/06/54/600020654.db2.gz OOMQFLDTCYHAEY-INTQDDNPSA-N -1 0 336.290 3.664 20 0 EHADRM CC[C@@H](NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)C1CCCCC1 ZINC000326348984 600021705 /nfs/dbraw/zinc/02/17/05/600021705.db2.gz NXFJOEZTHCUESK-QGZVFWFLSA-N -1 0 330.428 3.769 20 0 EHADRM CCC[C@H]1CCCC[C@H]1NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736975931 600024067 /nfs/dbraw/zinc/02/40/67/600024067.db2.gz VGOOBXOLPSFZPG-SUMWQHHRSA-N -1 0 330.428 3.769 20 0 EHADRM Cc1cccc(C[C@H](CNC(=O)Nc2ccc(C)cc2C)C(=O)[O-])c1 ZINC000738708483 600026163 /nfs/dbraw/zinc/02/61/63/600026163.db2.gz OYCXZFGSOGBRBY-QGZVFWFLSA-N -1 0 340.423 3.677 20 0 EHADRM CC(C)CN(CCc1ccccc1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263445162 600026958 /nfs/dbraw/zinc/02/69/58/600026958.db2.gz FRIRNSKGLOSGMJ-UHFFFAOYSA-N -1 0 346.471 3.540 20 0 EHADRM O=C([O-])C1CCC(NC(=O)N2CCC[C@H]2CC2CCCCC2)CC1 ZINC000263486382 600027635 /nfs/dbraw/zinc/02/76/35/600027635.db2.gz PPKSPAWQOXBABW-JCYILVPMSA-N -1 0 336.476 3.774 20 0 EHADRM C[C@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000237616243 600033770 /nfs/dbraw/zinc/03/37/70/600033770.db2.gz OXTDLGLHVNDYCV-LBPRGKRZSA-N -1 0 331.799 3.848 20 0 EHADRM CCCCc1ccc(NC(=S)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000737004497 600033965 /nfs/dbraw/zinc/03/39/65/600033965.db2.gz QUOSSJUKRLYZDE-UHFFFAOYSA-N -1 0 334.485 3.959 20 0 EHADRM Cc1ccc(NC(=S)N2Cc3ccc(C(=O)[O-])cc3C2)c(C)c1 ZINC000738627787 600033995 /nfs/dbraw/zinc/03/39/95/600033995.db2.gz MDTQNEFVJJRQRN-UHFFFAOYSA-N -1 0 326.421 3.714 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000238071189 600034809 /nfs/dbraw/zinc/03/48/09/600034809.db2.gz BRAGJUPAYDDDIO-UHFFFAOYSA-N -1 0 348.742 3.518 20 0 EHADRM Cc1ccc([C@@H](NC(=O)CCc2ccc(C(=O)[O-])cc2)C2CC2)cc1 ZINC000237889276 600035575 /nfs/dbraw/zinc/03/55/75/600035575.db2.gz VMYKYMCLEDROER-HXUWFJFHSA-N -1 0 337.419 3.893 20 0 EHADRM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2cc(C(=O)[O-])ccc2Cl)c1 ZINC000738096508 600035630 /nfs/dbraw/zinc/03/56/30/600035630.db2.gz PBHIZUYJQASRFK-KBPBESRZSA-N -1 0 345.782 3.789 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)NC[C@@H]2CCCc3ccccc32)cc1 ZINC000238067370 600037897 /nfs/dbraw/zinc/03/78/97/600037897.db2.gz DWYATWWADZSMJM-SFHVURJKSA-N -1 0 337.419 3.554 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Nc2cccc(-n3cccc3)c2)cc1 ZINC000739260242 600038145 /nfs/dbraw/zinc/03/81/45/600038145.db2.gz NRCXYDSCKIYRFP-UHFFFAOYSA-N -1 0 334.375 3.747 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)CCc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000738553409 600038202 /nfs/dbraw/zinc/03/82/02/600038202.db2.gz UQJAQXCAQAVMBM-HNNXBMFYSA-N -1 0 325.408 3.812 20 0 EHADRM CCOc1cccc([C@H](C)NC(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000236976324 600041614 /nfs/dbraw/zinc/04/16/14/600041614.db2.gz OIHKLBRKTMPPBB-AWEZNQCLSA-N -1 0 341.407 3.594 20 0 EHADRM CCc1cccc2c(CC(=O)Nc3ccc(C(=O)[O-])c(C)c3)c[nH]c21 ZINC000237003368 600043371 /nfs/dbraw/zinc/04/33/71/600043371.db2.gz PLXBFEMBSWCZMM-UHFFFAOYSA-N -1 0 336.391 3.918 20 0 EHADRM Cc1cc(C(=O)[O-])c2sc(NC(=O)C=C3CCCCC3)nc2n1 ZINC000738340689 600049008 /nfs/dbraw/zinc/04/90/08/600049008.db2.gz ALGUTFYOUQAYHZ-UHFFFAOYSA-N -1 0 331.397 3.527 20 0 EHADRM Cc1nc(NC(=O)C(C)(C)c2ccccc2Cl)sc1C(=O)[O-] ZINC000738361175 600060817 /nfs/dbraw/zinc/06/08/17/600060817.db2.gz CSMXDKQEDGTGOV-UHFFFAOYSA-N -1 0 338.816 3.719 20 0 EHADRM O=C([O-])[C@H]1C[C@@H]1C(=O)Oc1ccccc1-c1nc2ccccc2s1 ZINC000739561023 600060957 /nfs/dbraw/zinc/06/09/57/600060957.db2.gz UREDQCMCEZWIFG-RYUDHWBXSA-N -1 0 339.372 3.589 20 0 EHADRM CC/C(=C\C(=O)N[C@H](CC(=O)[O-])c1cccs1)c1ccccc1 ZINC000736837769 600061064 /nfs/dbraw/zinc/06/10/64/600061064.db2.gz YZMGLSHQMSQHRM-HFBDAHEESA-N -1 0 329.421 3.874 20 0 EHADRM Cc1c(NC(=O)c2cc(F)c(Cl)nc2Cl)cccc1C(=O)[O-] ZINC000138546106 600061473 /nfs/dbraw/zinc/06/14/73/600061473.db2.gz FJEDWWGHTDNBEW-UHFFFAOYSA-N -1 0 343.141 3.786 20 0 EHADRM CC/C(=C/C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])c1ccccc1 ZINC000736834200 600061967 /nfs/dbraw/zinc/06/19/67/600061967.db2.gz GYMCJXRZFJMBEG-ZDRDQBANSA-N -1 0 335.403 3.518 20 0 EHADRM CC(C)c1ccc([C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c2cccs2)cc1 ZINC000485658285 600063091 /nfs/dbraw/zinc/06/30/91/600063091.db2.gz CCYRQZFWIIBEBY-VYDXJSESSA-N -1 0 343.448 3.798 20 0 EHADRM Cc1cc(NC(=O)c2cnc(-c3ccco3)s2)ccc1C(=O)[O-] ZINC000237840271 600063227 /nfs/dbraw/zinc/06/32/27/600063227.db2.gz XFXFXBOGALNTJS-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM Cc1cccc(C[C@H](CNC(=O)c2sccc2C(C)C)C(=O)[O-])c1 ZINC000236813305 600063984 /nfs/dbraw/zinc/06/39/84/600063984.db2.gz FDBSMKBEAMTFAT-OAHLLOKOSA-N -1 0 345.464 3.853 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)NCc2ccc(-c3ccccc3)o2)cc1 ZINC000739256570 600064015 /nfs/dbraw/zinc/06/40/15/600064015.db2.gz ZPTOTWSHKXUYCZ-UHFFFAOYSA-N -1 0 349.386 3.894 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000237797456 600064305 /nfs/dbraw/zinc/06/43/05/600064305.db2.gz GUUNCDSTMLIGGW-LJQANCHMSA-N -1 0 337.419 3.990 20 0 EHADRM Cc1cccc(C[C@H](CNC(=O)c2cccc(C(F)F)c2)C(=O)[O-])c1 ZINC000263520439 600068984 /nfs/dbraw/zinc/06/89/84/600068984.db2.gz GYRHTNGXSCYERC-MRXNPFEDSA-N -1 0 347.361 3.606 20 0 EHADRM CC(C)Cn1cc(C(=O)NC2CCC(C(=O)[O-])CC2)c2ccccc21 ZINC000507285578 600074533 /nfs/dbraw/zinc/07/45/33/600074533.db2.gz ZLZSRTVHDDGDHW-UHFFFAOYSA-N -1 0 342.439 3.671 20 0 EHADRM Cc1c(NCc2cc(=O)oc3cc4c(cc23)CCC4)cccc1C(=O)[O-] ZINC000738306601 600076013 /nfs/dbraw/zinc/07/60/13/600076013.db2.gz WKBNKPBTLLPUHP-UHFFFAOYSA-N -1 0 349.386 3.900 20 0 EHADRM Cc1ccc(N(C(C)C)S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1 ZINC000738606592 600084310 /nfs/dbraw/zinc/08/43/10/600084310.db2.gz IMDPXFMJZDHHDN-UHFFFAOYSA-N -1 0 347.436 3.605 20 0 EHADRM CCc1[nH]c(C(=O)N2CCCc3c(C)cc(C)cc32)c(C)c1C(=O)[O-] ZINC000737240864 600085556 /nfs/dbraw/zinc/08/55/56/600085556.db2.gz IVZNODKUZFYYNB-UHFFFAOYSA-N -1 0 340.423 3.794 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2cncc3ccccc32)ccc1F ZINC000740013218 600087107 /nfs/dbraw/zinc/08/71/07/600087107.db2.gz ZTHZICGFWGFURJ-UHFFFAOYSA-N -1 0 325.299 3.716 20 0 EHADRM CCc1cccc2c(CC(=O)OCc3cccc(C(=O)[O-])c3)c[nH]c21 ZINC000737269363 600089444 /nfs/dbraw/zinc/08/94/44/600089444.db2.gz BDTIPGHXRXOORL-UHFFFAOYSA-N -1 0 337.375 3.714 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)Cc2ccc3c(c2)CCCC3)ccc1F ZINC000740006671 600090338 /nfs/dbraw/zinc/09/03/38/600090338.db2.gz VFCQFYMWSZRHKM-UHFFFAOYSA-N -1 0 342.370 3.976 20 0 EHADRM C[C@H](OC(=O)CCc1ccc(C(=O)[O-])cc1)c1cc(F)ccc1F ZINC000736689898 600091214 /nfs/dbraw/zinc/09/12/14/600091214.db2.gz ALEXPBDPCGUJGH-NSHDSACASA-N -1 0 334.318 3.900 20 0 EHADRM O=C([O-])c1sccc1NS(=O)(=O)/C=C\c1ccccc1Cl ZINC000740288815 600094864 /nfs/dbraw/zinc/09/48/64/600094864.db2.gz HRAJPOGRAPJRSZ-VURMDHGXSA-N -1 0 343.813 3.512 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Nc2ccc(O)c3ccccc23)cc1 ZINC000739260731 600095210 /nfs/dbraw/zinc/09/52/10/600095210.db2.gz XIEFUDRTFRRCRI-UHFFFAOYSA-N -1 0 335.359 3.815 20 0 EHADRM CN(CCc1ccccc1F)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000737447256 600095748 /nfs/dbraw/zinc/09/57/48/600095748.db2.gz SCOVSTIXAIRVCK-UHFFFAOYSA-N -1 0 331.347 3.622 20 0 EHADRM CSCc1cccc(NC(=O)N[C@H](CC(=O)[O-])c2ccccc2)c1 ZINC000738146849 600097779 /nfs/dbraw/zinc/09/77/79/600097779.db2.gz ODFNIHMXNCOBHM-MRXNPFEDSA-N -1 0 344.436 3.887 20 0 EHADRM Cc1cccc(OCCc2nc(-c3ccc(C(=O)[O-])cc3)no2)c1C ZINC000738737823 600110387 /nfs/dbraw/zinc/11/03/87/600110387.db2.gz MRDTWMMBLABJEQ-UHFFFAOYSA-N -1 0 338.363 3.673 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)Nc1cccc(Cl)c1F)C2 ZINC000321776618 600111851 /nfs/dbraw/zinc/11/18/51/600111851.db2.gz SBJJKTZHJCASRV-UHFFFAOYSA-N -1 0 334.734 3.725 20 0 EHADRM CCOc1ccc(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)cc1OC ZINC000737193175 600112728 /nfs/dbraw/zinc/11/27/28/600112728.db2.gz CMRMDSKOUHCVBT-UHFFFAOYSA-N -1 0 340.335 3.509 20 0 EHADRM Cc1ccc(OCCC(=O)OCc2ccc(F)cc2C(=O)[O-])c(C)c1 ZINC000738643338 600113563 /nfs/dbraw/zinc/11/35/63/600113563.db2.gz NWEANEKXAKKLDE-UHFFFAOYSA-N -1 0 346.354 3.653 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)Nc1cccc(C(F)F)c1)C2 ZINC000386210777 600114632 /nfs/dbraw/zinc/11/46/32/600114632.db2.gz HLNMDUGDVHDMJT-UHFFFAOYSA-N -1 0 332.306 3.870 20 0 EHADRM O=C([O-])c1ccc(-c2noc([C@H]3C[C@H]3c3ccc(F)c(F)c3)n2)cc1 ZINC000740101507 600115318 /nfs/dbraw/zinc/11/53/18/600115318.db2.gz OQJZZGFFXIZJGS-STQMWFEESA-N -1 0 342.301 3.984 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N2CCCc3ccccc3C2)cc1 ZINC000327420813 600115425 /nfs/dbraw/zinc/11/54/25/600115425.db2.gz YVZZBBJSIWREND-UHFFFAOYSA-N -1 0 338.407 3.684 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)Nc1ccc(CCC(=O)[O-])cc1)CC2 ZINC000738671145 600116364 /nfs/dbraw/zinc/11/63/64/600116364.db2.gz UANGTYWLDZRTDJ-SFHVURJKSA-N -1 0 338.407 3.821 20 0 EHADRM Cc1cc(NC(=O)[C@H](C)Oc2ccc(C(C)C)c(C)c2)c(C(=O)[O-])[nH]1 ZINC000738417886 600123545 /nfs/dbraw/zinc/12/35/45/600123545.db2.gz LDJMRDWJKROPOT-ZDUSSCGKSA-N -1 0 344.411 3.859 20 0 EHADRM CC[C@](NC(=O)[C@H](C)Cc1cccc(F)c1)(C(=O)[O-])c1ccccc1 ZINC000485370294 600127953 /nfs/dbraw/zinc/12/79/53/600127953.db2.gz DCMCTGKJSDERNL-JLTOFOAXSA-N -1 0 343.398 3.511 20 0 EHADRM CC[C@@](NC(=O)CCCc1cccs1)(C(=O)[O-])c1ccccc1 ZINC000262376383 600129400 /nfs/dbraw/zinc/12/94/00/600129400.db2.gz GEXZOUCCGVWRDH-SFHVURJKSA-N -1 0 331.437 3.577 20 0 EHADRM Cc1cc(Br)oc1C(=O)Oc1ccc(C)cc1C(=O)[O-] ZINC000738637587 600132163 /nfs/dbraw/zinc/13/21/63/600132163.db2.gz JDVQSFDFGNIGDN-UHFFFAOYSA-N -1 0 339.141 3.576 20 0 EHADRM CC[C@@](NC(=O)[C@H](C)Cc1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC000736904467 600132658 /nfs/dbraw/zinc/13/26/58/600132658.db2.gz BGUMFWLZYPJMIY-VLIAUNLRSA-N -1 0 343.398 3.511 20 0 EHADRM COc1ccc(/C=C/c2ncc(C(=O)[O-])s2)c(Cl)c1OC ZINC000340855576 600139206 /nfs/dbraw/zinc/13/92/06/600139206.db2.gz ODGKQYSAJNNUSV-GQCTYLIASA-N -1 0 325.773 3.682 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000237519605 600140823 /nfs/dbraw/zinc/14/08/23/600140823.db2.gz IOXNCIYPNYGXNG-YGRLFVJLSA-N -1 0 344.238 3.638 20 0 EHADRM O=C([O-])C1(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CCCC1 ZINC000237941265 600141415 /nfs/dbraw/zinc/14/14/15/600141415.db2.gz LHYNIDYLYMXWBK-VXGBXAGGSA-N -1 0 342.222 3.611 20 0 EHADRM O=C([O-])c1ccc(/C=C2/N=C(c3c(F)cccc3Cl)OC2=O)cc1 ZINC000730465729 600142319 /nfs/dbraw/zinc/14/23/19/600142319.db2.gz CXCHDCMKRWCTQW-MDWZMJQESA-N -1 0 345.713 3.522 20 0 EHADRM CC(C)[C@@H](CC(=O)OCC(=O)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC000736353049 600143824 /nfs/dbraw/zinc/14/38/24/600143824.db2.gz MOGHKOHRGLZAQD-OAHLLOKOSA-N -1 0 344.363 3.534 20 0 EHADRM CN(C)c1ccc([C@@H]2C[C@@H]2C(=O)Nc2cccc(NC(=O)[O-])c2)cc1 ZINC000737376388 600145267 /nfs/dbraw/zinc/14/52/67/600145267.db2.gz DHIDIPWYGSNZKC-IRXDYDNUSA-N -1 0 339.395 3.585 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccc(-n2cccc2)c(F)c1)c1ccccc1 ZINC000740296592 600145843 /nfs/dbraw/zinc/14/58/43/600145843.db2.gz AEZJEMHHYXMYCP-KRWDZBQOSA-N -1 0 339.322 3.599 20 0 EHADRM Cc1cc(COC(=O)c2ccc(-n3cccc3)c(F)c2)oc1C(=O)[O-] ZINC000738395680 600145933 /nfs/dbraw/zinc/14/59/33/600145933.db2.gz UPADSTYBHKORJU-UHFFFAOYSA-N -1 0 343.310 3.573 20 0 EHADRM Cc1ccc(NC(=S)Nc2ccc(CCC(=O)[O-])cc2)cc1F ZINC000738628908 600149442 /nfs/dbraw/zinc/14/94/42/600149442.db2.gz UILGAKNEEWLNIA-UHFFFAOYSA-N -1 0 332.400 3.960 20 0 EHADRM O=C([O-])CCCCCNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000238147476 600150078 /nfs/dbraw/zinc/15/00/78/600150078.db2.gz ALMFGBBYDICHJL-CHWSQXEVSA-N -1 0 344.238 3.858 20 0 EHADRM Cc1cccc(Oc2ccc(NC(=O)C(C)(C)NC(=O)[O-])cc2)c1 ZINC000738737894 600150729 /nfs/dbraw/zinc/15/07/29/600150729.db2.gz PYKVBMXXWVLGFU-UHFFFAOYSA-N -1 0 328.368 3.772 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)c2cc3c(s2)CCCC3)C(=O)[O-])cc1 ZINC000486380049 600155244 /nfs/dbraw/zinc/15/52/44/600155244.db2.gz LJUGADCYTXPAGX-OAHLLOKOSA-N -1 0 343.448 3.534 20 0 EHADRM Cc1ccc(C)c(C(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC000237641236 600167082 /nfs/dbraw/zinc/16/70/82/600167082.db2.gz MEASTPHVFZEDCS-UHFFFAOYSA-N -1 0 347.361 3.699 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1)C(C)C ZINC000738322138 600180002 /nfs/dbraw/zinc/18/00/02/600180002.db2.gz PBEFNWWZKAOHCS-OAHLLOKOSA-N -1 0 327.384 3.607 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)Nc2cccc(OCC(=O)[O-])c2)c1C ZINC000738308855 600181194 /nfs/dbraw/zinc/18/11/94/600181194.db2.gz SJIPVOCASGIQNM-CQSZACIVSA-N -1 0 342.395 3.650 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000675950195 600192020 /nfs/dbraw/zinc/19/20/20/600192020.db2.gz SFVMFEHKQQSMAP-TZMCWYRMSA-N -1 0 349.477 3.809 20 0 EHADRM CN(C(=O)c1cc2cc(F)ccc2s1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737337070 600195192 /nfs/dbraw/zinc/19/51/92/600195192.db2.gz UNDKUNMVQHQWEI-MRXNPFEDSA-N -1 0 343.379 3.938 20 0 EHADRM Cc1ccc2c(CC(=O)Nc3ccc(C(=O)[O-])cc3F)coc2c1 ZINC000324774926 600199246 /nfs/dbraw/zinc/19/92/46/600199246.db2.gz FSGNTOHJTYZQAQ-UHFFFAOYSA-N -1 0 327.311 3.760 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C(F)(F)c2cccc(Cl)c2)c(F)c1 ZINC000740146547 600200847 /nfs/dbraw/zinc/20/08/47/600200847.db2.gz UJBUNNLSNIZMIX-UHFFFAOYSA-N -1 0 343.688 3.908 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)Cc2cccc3cccnc32)c1 ZINC000739344606 600202628 /nfs/dbraw/zinc/20/26/28/600202628.db2.gz FMNLQODYCYUDGM-UHFFFAOYSA-N -1 0 340.766 3.768 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)CCC(=O)c2ccccc2)c1 ZINC000178253964 600203038 /nfs/dbraw/zinc/20/30/38/600203038.db2.gz HXKNCTHXLQJXDH-UHFFFAOYSA-N -1 0 331.755 3.640 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000358612677 600207068 /nfs/dbraw/zinc/20/70/68/600207068.db2.gz QFIJKCXXQOPVTR-LMSBXDPUSA-N -1 0 329.440 3.733 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000740066313 600208480 /nfs/dbraw/zinc/20/84/80/600208480.db2.gz RBPXODMTHPMEFN-BDAKNGLRSA-N -1 0 335.281 3.544 20 0 EHADRM CCc1[nH]c(C(=O)N2CCC[C@@H](C(C)(C)C)CC2)c(C)c1C(=O)[O-] ZINC000737242345 600209959 /nfs/dbraw/zinc/20/99/59/600209959.db2.gz QTQYRQGZTGOOLS-CYBMUJFWSA-N -1 0 334.460 3.872 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)cc1F ZINC000738513276 600211172 /nfs/dbraw/zinc/21/11/72/600211172.db2.gz CPCIVUGOQOSGIK-UHFFFAOYSA-N -1 0 339.269 3.686 20 0 EHADRM CC(C)(C)c1cccc(OS(=O)(=O)Cc2cccc(C(=O)[O-])c2)c1 ZINC000736298790 600219478 /nfs/dbraw/zinc/21/94/78/600219478.db2.gz CJHFZXVQIOYLGU-UHFFFAOYSA-N -1 0 348.420 3.591 20 0 EHADRM Cc1c(NC(=O)NC2(c3nccs3)CCCC2)cccc1C(=O)[O-] ZINC000738302711 600240201 /nfs/dbraw/zinc/24/02/01/600240201.db2.gz CLUFVSVGFLAYLT-UHFFFAOYSA-N -1 0 345.424 3.741 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)NC2(c3nccs3)CCCC2)c1 ZINC000739465485 600240628 /nfs/dbraw/zinc/24/06/28/600240628.db2.gz YGLPOAKSKMAGBP-UHFFFAOYSA-N -1 0 349.387 3.571 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc(F)c(C(=O)[O-])c2)o1 ZINC000738584530 600241603 /nfs/dbraw/zinc/24/16/03/600241603.db2.gz XUHDLDHUMVRQEZ-CQSZACIVSA-N -1 0 332.331 3.794 20 0 EHADRM O=C([O-])c1ccccc1OC(=O)c1cccc(Oc2nccs2)c1 ZINC000740308684 600246292 /nfs/dbraw/zinc/24/62/92/600246292.db2.gz ZAJUOJXCUVKHIT-UHFFFAOYSA-N -1 0 341.344 3.853 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)CC(C)(C)c1ccccc1 ZINC000738085467 600249121 /nfs/dbraw/zinc/24/91/21/600249121.db2.gz NWAMWIJUSYVDPG-UHFFFAOYSA-N -1 0 328.364 3.667 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)CCc2cc(Cl)cs2)c2ccccc21 ZINC000192956930 600251518 /nfs/dbraw/zinc/25/15/18/600251518.db2.gz RBJWPONCRIUTCM-CYBMUJFWSA-N -1 0 335.812 3.549 20 0 EHADRM Cc1cc(NC(=O)c2csc(-c3ccc(F)cc3)n2)c(C(=O)[O-])[nH]1 ZINC000738453062 600256047 /nfs/dbraw/zinc/25/60/47/600256047.db2.gz BIHNAXSJZVUASS-UHFFFAOYSA-N -1 0 345.355 3.536 20 0 EHADRM Cc1oc(CNc2ccc(CNC(=O)OC(C)C)cc2)cc1C(=O)[O-] ZINC000738984649 600261219 /nfs/dbraw/zinc/26/12/19/600261219.db2.gz WSXVJHDTPGDWLX-UHFFFAOYSA-N -1 0 346.383 3.533 20 0 EHADRM C[C@]12CC3CC(C(=O)N4CCC5(C[C@H]5C(=O)[O-])CC4)(C1)C[C@@](C)(C3)C2 ZINC000262076214 600267011 /nfs/dbraw/zinc/26/70/11/600267011.db2.gz GHQMYURHCSLROE-CGJZSDFSSA-N -1 0 345.483 3.696 20 0 EHADRM Cc1cc(COC(=O)c2cc(C)ccc2N2CCCC2)oc1C(=O)[O-] ZINC000738616357 600268421 /nfs/dbraw/zinc/26/84/21/600268421.db2.gz SITHYBNOSTXBNJ-UHFFFAOYSA-N -1 0 343.379 3.552 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000262466933 600275370 /nfs/dbraw/zinc/27/53/70/600275370.db2.gz RMOICYCEJOIFER-ZDUSSCGKSA-N -1 0 347.411 3.676 20 0 EHADRM O=C([O-])c1ccc2nc(SCC(=O)c3ccc(F)cc3F)oc2c1 ZINC000740212660 600276232 /nfs/dbraw/zinc/27/62/32/600276232.db2.gz OOIBIUBYRDBENE-UHFFFAOYSA-N -1 0 349.314 3.779 20 0 EHADRM CC(C)(NC(=O)Nc1ccc(C(=O)[O-])cc1F)c1cccc(F)c1 ZINC000736324956 600278269 /nfs/dbraw/zinc/27/82/69/600278269.db2.gz SQVGLVGGGZSJPP-UHFFFAOYSA-N -1 0 334.322 3.720 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@@H](Cc2ccccc2)C2CC2)c(F)c1 ZINC000739466709 600279437 /nfs/dbraw/zinc/27/94/37/600279437.db2.gz GNPMILCLVVJDTO-KRWDZBQOSA-N -1 0 342.370 3.667 20 0 EHADRM Cc1nc2ccccc2cc1C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000738876580 600283113 /nfs/dbraw/zinc/28/31/13/600283113.db2.gz YTDIAXBXGNKKBW-UHFFFAOYSA-N -1 0 349.390 3.905 20 0 EHADRM CCc1ccc(CCC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cc1 ZINC000737260708 600285351 /nfs/dbraw/zinc/28/53/51/600285351.db2.gz YPCXELGPGBKFGW-UHFFFAOYSA-N -1 0 340.423 3.930 20 0 EHADRM CN(Cc1ccc(NC(=O)CSc2ccccc2)cc1)C(=O)[O-] ZINC000737478853 600285885 /nfs/dbraw/zinc/28/58/85/600285885.db2.gz MORFFJWVPBSIAU-UHFFFAOYSA-N -1 0 330.409 3.527 20 0 EHADRM Cc1noc(C)c1[C@@H](C)NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000322600661 600286444 /nfs/dbraw/zinc/28/64/44/600286444.db2.gz MAUDUVBUVOOSKO-SSDOTTSWSA-N -1 0 337.763 3.526 20 0 EHADRM COc1cccc(CN(C)C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000392459558 600286475 /nfs/dbraw/zinc/28/64/75/600286475.db2.gz BRMKJGKZCJOXBI-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM CC(C)c1ccc2c(c1)CCCN2Cc1noc(CCCC(=O)[O-])n1 ZINC000736521651 600289535 /nfs/dbraw/zinc/28/95/35/600289535.db2.gz OICKBMBUPXQAMO-UHFFFAOYSA-N -1 0 343.427 3.553 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)/C=C/Sc2ccccc2)cc1 ZINC000739987255 600290105 /nfs/dbraw/zinc/29/01/05/600290105.db2.gz XPVWZTHZBKZCAL-ZHACJKMWSA-N -1 0 328.393 3.699 20 0 EHADRM Cc1ccc(SCCC(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000738668301 600292070 /nfs/dbraw/zinc/29/20/70/600292070.db2.gz WIOFBKUHUDVVFI-UHFFFAOYSA-N -1 0 344.436 3.884 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)c2csc3ccccc23)cc1 ZINC000739993119 600294391 /nfs/dbraw/zinc/29/43/91/600294391.db2.gz YREGEJXRSUVQGZ-UHFFFAOYSA-N -1 0 326.377 3.921 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)Nc3ccc(CNC(=O)[O-])cc3)cc2C1 ZINC000736805598 600295126 /nfs/dbraw/zinc/29/51/26/600295126.db2.gz PVWMWTYFKNCICJ-LLVKDONJSA-N -1 0 344.436 3.893 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736709321 600296982 /nfs/dbraw/zinc/29/69/82/600296982.db2.gz OXPIAVNSRKCBEW-CYBMUJFWSA-N -1 0 344.436 3.715 20 0 EHADRM CC[C@](NCc1csc(C(C)(C)C)n1)(C(=O)[O-])c1ccccc1 ZINC000736921238 600304702 /nfs/dbraw/zinc/30/47/02/600304702.db2.gz YGPMALNEKMYNOD-GOSISDBHSA-N -1 0 332.469 3.920 20 0 EHADRM CN(Cc1ccc(NC(=O)c2cn(C)c3ccccc23)cc1)C(=O)[O-] ZINC000737485172 600306985 /nfs/dbraw/zinc/30/69/85/600306985.db2.gz BSFCHDYVEPUNIH-UHFFFAOYSA-N -1 0 337.379 3.540 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cc2ccsc2[nH]1)c1cccc(Cl)c1 ZINC000740292274 600323055 /nfs/dbraw/zinc/32/30/55/600323055.db2.gz OUGNDIWGUSKWOK-GFCCVEGCSA-N -1 0 335.768 3.866 20 0 EHADRM O=C([O-])[C@H](OC(=O)CSc1ccccc1)c1cccc(Cl)c1 ZINC000739337569 600323673 /nfs/dbraw/zinc/32/36/73/600323673.db2.gz LHUGVTVMZBWGSF-OAHLLOKOSA-N -1 0 336.796 3.801 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cccc2ncccc21)c1cccc(Cl)c1 ZINC000740299046 600325062 /nfs/dbraw/zinc/32/50/62/600325062.db2.gz MUDCQSWBPNTMGL-INIZCTEOSA-N -1 0 341.750 3.871 20 0 EHADRM C[C@@H]1CCC[C@@H](OCC(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC000736782676 600330254 /nfs/dbraw/zinc/33/02/54/600330254.db2.gz VYMQKRSUGKNYDL-DJSGYFEHSA-N -1 0 340.803 3.604 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cnc(C2CC2)s1)c1cccc(Cl)c1 ZINC000740300209 600330350 /nfs/dbraw/zinc/33/03/50/600330350.db2.gz STOAODHZEXXUAM-GFCCVEGCSA-N -1 0 337.784 3.657 20 0 EHADRM CC[C@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC000322021347 600335005 /nfs/dbraw/zinc/33/50/05/600335005.db2.gz QUVBVWIXPXRBEN-JTQLQIEISA-N -1 0 326.343 3.707 20 0 EHADRM CS[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)C1 ZINC000738140125 600338821 /nfs/dbraw/zinc/33/88/21/600338821.db2.gz SDTJGOQBAAESMN-TZMCWYRMSA-N -1 0 337.445 3.597 20 0 EHADRM O=C([O-])CCc1nc(CSCc2ccc(Cl)cc2Cl)no1 ZINC000739771017 600351562 /nfs/dbraw/zinc/35/15/62/600351562.db2.gz DSFOZACSTSYJED-UHFFFAOYSA-N -1 0 347.223 3.827 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)c1cc2occc2s1 ZINC000736188355 600352361 /nfs/dbraw/zinc/35/23/61/600352361.db2.gz FJNGOXMOIVIKHW-UHFFFAOYSA-N -1 0 330.317 3.614 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)C(C)C ZINC000738757640 600353806 /nfs/dbraw/zinc/35/38/06/600353806.db2.gz DCWLPECWSMTYGL-DLBZAZTESA-N -1 0 344.455 3.588 20 0 EHADRM Cc1ccc(C)c(OCCCOc2ccc(C(=O)[O-])cc2C=O)c1 ZINC000738576813 600362860 /nfs/dbraw/zinc/36/28/60/600362860.db2.gz AUDHJROMXJUCRK-UHFFFAOYSA-N -1 0 328.364 3.662 20 0 EHADRM Cc1ccc(NC(=S)NCCc2ccc(NC(=O)[O-])cc2)cc1C ZINC000738627025 600366335 /nfs/dbraw/zinc/36/63/35/600366335.db2.gz BDGQJBQYZHYRQQ-UHFFFAOYSA-N -1 0 343.452 3.922 20 0 EHADRM CC[C@H](CC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccc(C)cc1 ZINC000236932562 600366898 /nfs/dbraw/zinc/36/68/98/600366898.db2.gz MGWUYPHTTGIIEK-MRXNPFEDSA-N -1 0 325.408 3.893 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000236951704 600366926 /nfs/dbraw/zinc/36/69/26/600366926.db2.gz IAALNBZGKZTQPQ-AWEZNQCLSA-N -1 0 325.408 3.757 20 0 EHADRM Cc1cc(NC(=O)[C@@]2(C)CCCc3ccccc32)sc1C(=O)[O-] ZINC000738423553 600368923 /nfs/dbraw/zinc/36/89/23/600368923.db2.gz XMMNQPVGVZCQPD-SFHVURJKSA-N -1 0 329.421 3.987 20 0 EHADRM Cc1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)sc1C(=O)[O-] ZINC000388130179 600369461 /nfs/dbraw/zinc/36/94/61/600369461.db2.gz BETDUXOEXNTYGJ-UHFFFAOYSA-N -1 0 340.744 3.569 20 0 EHADRM Cc1cc(NC(=O)/C=C/c2ccnc3ccccc23)sc1C(=O)[O-] ZINC000738231013 600370912 /nfs/dbraw/zinc/37/09/12/600370912.db2.gz MBNKQPHGBXYBNN-VOTSOKGWSA-N -1 0 338.388 3.955 20 0 EHADRM Cc1cc(NC(=O)c2ccc(NC(=O)C(C)C)cc2)sc1C(=O)[O-] ZINC000738448321 600371103 /nfs/dbraw/zinc/37/11/03/600371103.db2.gz DESCKNDMLBFEMW-UHFFFAOYSA-N -1 0 346.408 3.602 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H](C)c2ccsc2)cc1 ZINC000262127043 600377657 /nfs/dbraw/zinc/37/76/57/600377657.db2.gz JHWQVFLDZOJLIW-XHDPSFHLSA-N -1 0 349.477 3.906 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000236952678 600378074 /nfs/dbraw/zinc/37/80/74/600378074.db2.gz FFRJJYPVFYVPIQ-HNAYVOBHSA-N -1 0 339.435 3.555 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@@H]1Cc2ccccc2S1)c1ccccc1 ZINC000736850195 600378856 /nfs/dbraw/zinc/37/88/56/600378856.db2.gz VANLXTMZUCHVMX-RDJZCZTQSA-N -1 0 341.432 3.600 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)CSc1ccccc1)c1ccccc1 ZINC000736854086 600379613 /nfs/dbraw/zinc/37/96/13/600379613.db2.gz XEPBLSHMGJWIBW-MRXNPFEDSA-N -1 0 329.421 3.675 20 0 EHADRM C[C@@H](CS[C@H](C)c1nnc(-c2cccc(Cl)c2)o1)C(=O)[O-] ZINC000736617559 600379645 /nfs/dbraw/zinc/37/96/45/600379645.db2.gz OMZSGVNXSNXOTB-DTWKUNHWSA-N -1 0 326.805 3.905 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)CCSc1ccc(Cl)cc1 ZINC000050195745 600380411 /nfs/dbraw/zinc/38/04/11/600380411.db2.gz AYGMQIXVGBEVHJ-UHFFFAOYSA-N -1 0 329.849 3.582 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)CCCOc1cccc2ccccc21 ZINC000236822585 600380910 /nfs/dbraw/zinc/38/09/10/600380910.db2.gz IAXJPPQFBYFOHK-UHFFFAOYSA-N -1 0 343.423 3.758 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)NC(C)(C)CCC(=O)[O-])ccc1C(C)C ZINC000236750803 600381269 /nfs/dbraw/zinc/38/12/69/600381269.db2.gz UPMOYRSUFHYPOZ-CQSZACIVSA-N -1 0 335.444 3.645 20 0 EHADRM O=C(/C=C/c1ccnc2ccccc12)NC1(C(=O)[O-])CCCCCC1 ZINC000191239842 600381847 /nfs/dbraw/zinc/38/18/47/600381847.db2.gz PBRJLLHRPVWTKT-MDZDMXLPSA-N -1 0 338.407 3.542 20 0 EHADRM Cc1cc(NC(=O)C[C@H]2CCOc3ccccc32)ccc1C(=O)[O-] ZINC000237807503 600382804 /nfs/dbraw/zinc/38/28/04/600382804.db2.gz MTYIAWFMXHFOGA-CYBMUJFWSA-N -1 0 325.364 3.588 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)c1ccc(OC2CCCCC2)cc1 ZINC000739636691 600382911 /nfs/dbraw/zinc/38/29/11/600382911.db2.gz LFVGDSHVBFCVBS-MRXNPFEDSA-N -1 0 345.439 3.868 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)COc1ccccc1Cl)c1ccccc1 ZINC000736853015 600385369 /nfs/dbraw/zinc/38/53/69/600385369.db2.gz QKXBZCDLUKPFFX-HNNXBMFYSA-N -1 0 347.798 3.615 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)/C=C\c1ccc(OC)cc1)c1ccccc1 ZINC000736849218 600385800 /nfs/dbraw/zinc/38/58/00/600385800.db2.gz QCJPXMZQJQSELF-DEQJRXDXSA-N -1 0 339.391 3.605 20 0 EHADRM CN(Cc1ccccc1Cl)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000321457963 600386029 /nfs/dbraw/zinc/38/60/29/600386029.db2.gz IIFWRNAGZQPRFB-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM CN(CCCc1ccccc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000737440679 600386604 /nfs/dbraw/zinc/38/66/04/600386604.db2.gz IOYYTCVHIYRQJR-UHFFFAOYSA-N -1 0 330.359 3.620 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000736598218 600390897 /nfs/dbraw/zinc/39/08/97/600390897.db2.gz JMPWZTHFMXNRGI-JTQLQIEISA-N -1 0 334.322 3.588 20 0 EHADRM CC(C)CO[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000532004721 600391724 /nfs/dbraw/zinc/39/17/24/600391724.db2.gz LTJJJDDNFHYSAW-PBHICJAKSA-N -1 0 349.471 3.677 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCc2ccc(F)c(Cl)c2)c(F)c1 ZINC000320523818 600395826 /nfs/dbraw/zinc/39/58/26/600395826.db2.gz HJKYGVFLRFXKKQ-UHFFFAOYSA-N -1 0 340.713 3.638 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)CC/C=C/c2ccccc2)C(=O)[O-])cc1 ZINC000486405139 600399596 /nfs/dbraw/zinc/39/95/96/600399596.db2.gz NBQDSCLSGVZSIS-NTPDMAOXSA-N -1 0 337.419 3.773 20 0 EHADRM CC(C)(C)CCNC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736249317 600404597 /nfs/dbraw/zinc/40/45/97/600404597.db2.gz WCORGFQSGWFNCO-UHFFFAOYSA-N -1 0 330.331 3.544 20 0 EHADRM CCc1ccc([C@@H]2CCCN2CC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)o1 ZINC000737259123 600411632 /nfs/dbraw/zinc/41/16/32/600411632.db2.gz NFUYTTGBZGXIEO-AWEZNQCLSA-N -1 0 344.411 3.505 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(Cl)c[nH]2)cc1 ZINC000236611842 600415744 /nfs/dbraw/zinc/41/57/44/600415744.db2.gz CZBBPGXUQNSTNT-AWEZNQCLSA-N -1 0 348.830 3.911 20 0 EHADRM C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC(C)(C)CCC(=O)[O-] ZINC000237615628 600417381 /nfs/dbraw/zinc/41/73/81/600417381.db2.gz MSCCLTYSPNJTDF-VIFPVBQESA-N -1 0 348.226 3.520 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C[C@H]1CCc2ccccc2C1)c1ccccc1 ZINC000262338286 600425108 /nfs/dbraw/zinc/42/51/08/600425108.db2.gz XVGVGAUUANEAPT-KXBFYZLASA-N -1 0 337.419 3.514 20 0 EHADRM O=C([O-])[C@@H](Nc1ccc(OCc2ccccc2)nc1)c1ccccc1 ZINC000739512004 600426424 /nfs/dbraw/zinc/42/64/24/600426424.db2.gz LHBCORGEKWIRGI-IBGZPJMESA-N -1 0 334.375 3.898 20 0 EHADRM O=C([O-])c1cc(NC(=O)C[C@@H]2CCc3ccccc3C2)c(F)cc1F ZINC000739220683 600426766 /nfs/dbraw/zinc/42/67/66/600426766.db2.gz BIDIVHWAJMAERV-LLVKDONJSA-N -1 0 345.345 3.797 20 0 EHADRM COCCOc1ccc(N[C@@H](C(=O)[O-])c2ccccc2)cc1Cl ZINC000737820306 600427228 /nfs/dbraw/zinc/42/72/28/600427228.db2.gz GIYZXIVANQINJL-MRXNPFEDSA-N -1 0 335.787 3.603 20 0 EHADRM C[C@]12CC3CC(C(=O)Nc4cc(C(=O)[O-])ccn4)(C1)C[C@@](C)(C3)C2 ZINC000325634758 600428629 /nfs/dbraw/zinc/42/86/29/600428629.db2.gz WBLFRZQNZXBUMH-CMXJYWLISA-N -1 0 328.412 3.715 20 0 EHADRM CC1(C)CCC(C)(C)c2cc(C(=O)N3CC[C@H](C(=O)[O-])C3)ccc21 ZINC000236741016 600428819 /nfs/dbraw/zinc/42/88/19/600428819.db2.gz KOWQLDBCUXRRGK-AWEZNQCLSA-N -1 0 329.440 3.582 20 0 EHADRM COC(=O)N(C)c1ccc(N[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000737633191 600429001 /nfs/dbraw/zinc/42/90/01/600429001.db2.gz KWMUHPLUQIEQDD-HNNXBMFYSA-N -1 0 348.786 3.780 20 0 EHADRM O=C([O-])[C@H](Nc1ccc(OCc2cccnc2)cc1)c1ccccc1 ZINC000738523795 600434700 /nfs/dbraw/zinc/43/47/00/600434700.db2.gz DPRBNFVZUFTAEF-LJQANCHMSA-N -1 0 334.375 3.898 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)c2cccc(Oc3ccccc3)c2)c1 ZINC000740244035 600435309 /nfs/dbraw/zinc/43/53/09/600435309.db2.gz ACGMKICTMJARNP-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)N2CCC3(CCCC3)CC2)c(C)c1C(=O)[O-] ZINC000738237806 600442936 /nfs/dbraw/zinc/44/29/36/600442936.db2.gz XAYSWYYEZNIIBC-AWEZNQCLSA-N -1 0 332.444 3.557 20 0 EHADRM Cc1ccc(SCC(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)c(C)c1 ZINC000738667937 600443627 /nfs/dbraw/zinc/44/36/27/600443627.db2.gz LQBQMAXSRBELEP-KRWDZBQOSA-N -1 0 348.395 3.904 20 0 EHADRM O=C([O-])[C@@H](OC(=O)Cc1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000739338500 600449690 /nfs/dbraw/zinc/44/96/90/600449690.db2.gz IXTSYMQXORGNTI-HNNXBMFYSA-N -1 0 340.709 3.530 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738120160 600454595 /nfs/dbraw/zinc/45/45/95/600454595.db2.gz JDEASJHKKJASPK-IENJSVCTSA-N -1 0 344.338 3.607 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CCC[C@@]3(CC=CCC3)C2)ccc1F ZINC000740089996 600455958 /nfs/dbraw/zinc/45/59/58/600455958.db2.gz IDZGUAWRYGKLLP-SFHVURJKSA-N -1 0 332.375 3.878 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCC[C@@]3(CC=CCC3)C2)c(F)c1 ZINC000740145573 600456942 /nfs/dbraw/zinc/45/69/42/600456942.db2.gz ABIGFBHOYQOVHR-SFHVURJKSA-N -1 0 332.375 3.878 20 0 EHADRM CC[C@@H]1CCCC[C@H]1NC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736941389 600457121 /nfs/dbraw/zinc/45/71/21/600457121.db2.gz LNTFECZKKYBUFO-GDBMZVCRSA-N -1 0 333.432 3.587 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)NCCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738552728 600457442 /nfs/dbraw/zinc/45/74/42/600457442.db2.gz OYQKQURECKVZPJ-CQSZACIVSA-N -1 0 341.411 3.688 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)/C=C\c1ccnc2ccccc12 ZINC000738963103 600457936 /nfs/dbraw/zinc/45/79/36/600457936.db2.gz GZSGNWWSCAZXBF-SREVYHEPSA-N -1 0 337.331 3.591 20 0 EHADRM CC[C@@H](CC1CCCCC1)C(=O)N(C)c1nc(CC(=O)[O-])cs1 ZINC000736904527 600472494 /nfs/dbraw/zinc/47/24/94/600472494.db2.gz KXZKCOUFXWQVNK-ZDUSSCGKSA-N -1 0 338.473 3.730 20 0 EHADRM CCOCCCOC(=O)c1ccc(-c2ccc(C(=O)[O-])cc2)cc1 ZINC000737168418 600472995 /nfs/dbraw/zinc/47/29/95/600472995.db2.gz UPASORWRNWYLJK-UHFFFAOYSA-N -1 0 328.364 3.635 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)Nc2ccc(-c3ccccc3)cc2F)C1 ZINC000630557258 600474156 /nfs/dbraw/zinc/47/41/56/600474156.db2.gz OCMBYXFRUNEKQL-HNNXBMFYSA-N -1 0 342.370 3.821 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)[C@H]1CSc3ccccc31)CCC2 ZINC000320715223 600474487 /nfs/dbraw/zinc/47/44/87/600474487.db2.gz BPNJPNMBAPZYRS-NSHDSACASA-N -1 0 345.445 3.763 20 0 EHADRM COc1ccc([C@@H](C)C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000237171396 600477166 /nfs/dbraw/zinc/47/71/66/600477166.db2.gz JODZAOZBAUHPSM-SNVBAGLBSA-N -1 0 333.771 3.789 20 0 EHADRM CCOc1cccc(NC(=O)NCCc2ccc(NC(=O)[O-])cc2)c1 ZINC000737213581 600478119 /nfs/dbraw/zinc/47/81/19/600478119.db2.gz UQSOIXWZDWKMGZ-UHFFFAOYSA-N -1 0 343.383 3.539 20 0 EHADRM CC[C@](C)(NC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)C(=O)[O-] ZINC000362330948 600478571 /nfs/dbraw/zinc/47/85/71/600478571.db2.gz WSTBLVXZCPAFBK-SFHVURJKSA-N -1 0 349.333 3.740 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2cccc(Oc3ccccc3)c2)o1 ZINC000347405439 600478895 /nfs/dbraw/zinc/47/88/95/600478895.db2.gz CIOWHJAFVGIVLN-UHFFFAOYSA-N -1 0 337.331 3.700 20 0 EHADRM CC[C@@H](C)[C@H]1CCCCN1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000736880366 600479840 /nfs/dbraw/zinc/47/98/40/600479840.db2.gz OYGHSURONSUOPZ-RHSMWYFYSA-N -1 0 348.443 3.973 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2sccc2-c2ccccc2)o1 ZINC000238130105 600480026 /nfs/dbraw/zinc/48/00/26/600480026.db2.gz XFZNNHLURVBZJA-UHFFFAOYSA-N -1 0 327.361 3.636 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC000261634514 600486091 /nfs/dbraw/zinc/48/60/91/600486091.db2.gz IBNQQKIMNMFFSX-VHSXEESVSA-N -1 0 345.226 3.561 20 0 EHADRM CC[C@H](C)[C@@H]1CCCCN1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000736880327 600487334 /nfs/dbraw/zinc/48/73/34/600487334.db2.gz NXCGHZIYJYYGPU-YOEHRIQHSA-N -1 0 332.444 3.538 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)C(=O)c1ccccc1 ZINC000736547523 600487728 /nfs/dbraw/zinc/48/77/28/600487728.db2.gz DGKSBPSWVJEJNV-LLVKDONJSA-N -1 0 345.782 3.886 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CNc2ccccc2Cl)cc1Cl ZINC000739309557 600487828 /nfs/dbraw/zinc/48/78/28/600487828.db2.gz SBJPUDQRARCRIB-UHFFFAOYSA-N -1 0 339.178 3.742 20 0 EHADRM CCC(CC)[C@@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000263050277 600488365 /nfs/dbraw/zinc/48/83/65/600488365.db2.gz RASOVWMEKPYMNJ-IAGOWNOFSA-N -1 0 332.444 3.670 20 0 EHADRM CC[C@@H](C)[C@@H]1CCCCN1C(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC000736879241 600488810 /nfs/dbraw/zinc/48/88/10/600488810.db2.gz CAWMAUJPTBZNHA-CJNGLKHVSA-N -1 0 348.443 3.504 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)NC2CCC(C(=O)[O-])CC2)C1 ZINC000263477456 600495584 /nfs/dbraw/zinc/49/55/84/600495584.db2.gz MZKWUQRJFPLCDX-ORBLRFAASA-N -1 0 344.455 3.526 20 0 EHADRM CC(C)(CCCc1ccccc1)CNC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000736320401 600496974 /nfs/dbraw/zinc/49/69/74/600496974.db2.gz RAVBXUCMHXDLHX-QGZVFWFLSA-N -1 0 346.471 3.542 20 0 EHADRM C[C@H](NC(=O)c1ccccc1NC(=O)[O-])c1nc2ccccc2s1 ZINC000736658604 600501911 /nfs/dbraw/zinc/50/19/11/600501911.db2.gz LQEQJVXPVNBXTR-JTQLQIEISA-N -1 0 341.392 3.877 20 0 EHADRM CC(C)c1noc([C@@H](C)Nc2ccc(OCCCC(=O)[O-])cc2)n1 ZINC000736537366 600503986 /nfs/dbraw/zinc/50/39/86/600503986.db2.gz FSRQCSPERCYXTG-GFCCVEGCSA-N -1 0 333.388 3.610 20 0 EHADRM CCN(Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)C[C@@H]1CCCO1 ZINC000519601229 600507976 /nfs/dbraw/zinc/50/79/76/600507976.db2.gz JFHFLLMWEXLRMD-INIZCTEOSA-N -1 0 346.452 3.509 20 0 EHADRM C[C@H](OC(=O)[C@H]1CSc2ccccc21)c1ccc(C(=O)[O-])cc1 ZINC000738228146 600518885 /nfs/dbraw/zinc/51/88/85/600518885.db2.gz NJPGOPRNJMJNFU-NHYWBVRUSA-N -1 0 328.389 3.879 20 0 EHADRM Cc1cccc([C@H](C)C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000362437000 600524998 /nfs/dbraw/zinc/52/49/98/600524998.db2.gz MUUFRWMRIZOPEE-GUYCJALGSA-N -1 0 329.371 3.570 20 0 EHADRM CSCCCCC(=O)Oc1ccc(Br)cc1C(=O)[O-] ZINC000738191220 600525493 /nfs/dbraw/zinc/52/54/93/600525493.db2.gz SFCWGRBKFAERJS-UHFFFAOYSA-N -1 0 347.230 3.586 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)o1 ZINC000739437402 600530596 /nfs/dbraw/zinc/53/05/96/600530596.db2.gz HLTKFFWCHBMUPY-JKSUJKDBSA-N -1 0 342.395 3.503 20 0 EHADRM CCSc1ccc([C@@H](C)NC(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000737229499 600532288 /nfs/dbraw/zinc/53/22/88/600532288.db2.gz NHUKNZMXUGHSEW-LLVKDONJSA-N -1 0 348.424 3.650 20 0 EHADRM C[C@@H]1CCC[C@@H](OCC(=O)Nc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000736773919 600533041 /nfs/dbraw/zinc/53/30/41/600533041.db2.gz CSTGDVQLYYEXHA-ZYHUDNBSSA-N -1 0 325.792 3.572 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NC/C=C\c1ccccc1)C(=O)[O-] ZINC000345846188 600534651 /nfs/dbraw/zinc/53/46/51/600534651.db2.gz SOZBCPTTYLRXFC-YHAOYDPOSA-N -1 0 341.432 3.695 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)Nc2ccc3c4c(cccc42)CC3)o1 ZINC000739437201 600539596 /nfs/dbraw/zinc/53/95/96/600539596.db2.gz BNBBXRCQSQBUEI-UHFFFAOYSA-N -1 0 336.347 3.551 20 0 EHADRM CC(C)(Oc1cccc(Cl)c1)C(=O)OCc1occc1C(=O)[O-] ZINC000736344018 600545022 /nfs/dbraw/zinc/54/50/22/600545022.db2.gz PXQQTTCFAOPOST-UHFFFAOYSA-N -1 0 338.743 3.532 20 0 EHADRM O=C([O-])CCNC(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1 ZINC000739733558 600552612 /nfs/dbraw/zinc/55/26/12/600552612.db2.gz IAAICELLFFNLQE-UHFFFAOYSA-N -1 0 336.750 3.742 20 0 EHADRM CCC[C@@H](C)C(=O)N(Cc1ccoc1C(=O)[O-])[C@@H](C)c1ccccn1 ZINC000736960079 600555529 /nfs/dbraw/zinc/55/55/29/600555529.db2.gz VFQGLRMHFJPHDF-KGLIPLIRSA-N -1 0 344.411 3.899 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1ccc(COc2ccccc2)cc1 ZINC000236764512 600557879 /nfs/dbraw/zinc/55/78/79/600557879.db2.gz HVZAWVYIHQTKGA-UHFFFAOYSA-N -1 0 341.407 3.591 20 0 EHADRM O=C([O-])c1cccc(CS[C@H]2CCCN(c3ccccc3)C2=O)c1 ZINC000740225343 600567700 /nfs/dbraw/zinc/56/77/00/600567700.db2.gz IILRPBDPIRHESI-KRWDZBQOSA-N -1 0 341.432 3.814 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)Cc2c[nH]c3ccc(F)cc23)c1 ZINC000739337679 600569807 /nfs/dbraw/zinc/56/98/07/600569807.db2.gz CKAQIIVGQXBTCZ-UHFFFAOYSA-N -1 0 346.745 3.840 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)NC(=O)c1ccccc1NC(=O)[O-] ZINC000736626777 600570883 /nfs/dbraw/zinc/57/08/83/600570883.db2.gz NAQPINPYKOVFBM-NSHDSACASA-N -1 0 332.787 3.791 20 0 EHADRM O=C([O-])c1ccc(-c2noc(Cc3c[nH]c4ccc(F)cc34)n2)cc1 ZINC000740101880 600581460 /nfs/dbraw/zinc/58/14/60/600581460.db2.gz WKVURJRSRUJRIY-UHFFFAOYSA-N -1 0 337.310 3.646 20 0 EHADRM Cc1cc(C)c(NC(=O)[C@@H](C)S[C@H](C)CC(=O)[O-])c(Cl)c1 ZINC000738227393 600585678 /nfs/dbraw/zinc/58/56/78/600585678.db2.gz YTXSZCZJJSQHTM-GHMZBOCLSA-N -1 0 329.849 3.880 20 0 EHADRM C[C@H](CC(=O)[O-])SCc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000736558204 600590528 /nfs/dbraw/zinc/59/05/28/600590528.db2.gz ZUPIXIKYXJWZJS-MRVPVSSYSA-N -1 0 346.330 3.852 20 0 EHADRM C[C@H](CC(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1 ZINC000736544418 600591160 /nfs/dbraw/zinc/59/11/60/600591160.db2.gz GNGQBMLTNKCKBR-FZKQIMNGSA-N -1 0 329.371 3.604 20 0 EHADRM CC(C)[C@@H](S[C@@H](C)CC(=O)[O-])C(=O)Nc1ccc2c(c1)CCC2 ZINC000736550662 600591817 /nfs/dbraw/zinc/59/18/17/600591817.db2.gz QEIVVUYKMAXRPD-YVEFUNNKSA-N -1 0 335.469 3.735 20 0 EHADRM CN(C(=O)/C=C/c1ccc(Cl)s1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737314295 600593314 /nfs/dbraw/zinc/59/33/14/600593314.db2.gz QIOLUNAWOKQFRQ-HQPKTYMTSA-N -1 0 335.812 3.699 20 0 EHADRM C[C@H](CC(=O)[O-])SCC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000736550294 600594461 /nfs/dbraw/zinc/59/44/61/600594461.db2.gz FAUMDZRDMLZNBW-CHWSQXEVSA-N -1 0 331.437 3.613 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000738756199 600595206 /nfs/dbraw/zinc/59/52/06/600595206.db2.gz IJSAFFRFIZXENP-HNAYVOBHSA-N -1 0 325.408 3.773 20 0 EHADRM C[C@H](CN(C)C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000237567784 600595294 /nfs/dbraw/zinc/59/52/94/600595294.db2.gz GUGRCDAHTDSERC-BSPAPZMXSA-N -1 0 349.736 3.551 20 0 EHADRM CC1(C(=O)NC[C@@H](Cc2cccc3ccccc32)C(=O)[O-])CCCC1 ZINC000486396482 600598374 /nfs/dbraw/zinc/59/83/74/600598374.db2.gz QQORYKXPBYUUHX-QGZVFWFLSA-N -1 0 339.435 3.780 20 0 EHADRM CC(C)COc1cccc(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000736448813 600598744 /nfs/dbraw/zinc/59/87/44/600598744.db2.gz TUXQNPLKGUNIPC-SFHVURJKSA-N -1 0 341.407 3.619 20 0 EHADRM Cc1cc(C)c(NC(=O)[C@@H](C)SC[C@@H](C)C(=O)[O-])c(Cl)c1 ZINC000738357194 600599192 /nfs/dbraw/zinc/59/91/92/600599192.db2.gz AVZYXCKLRDVNLL-GHMZBOCLSA-N -1 0 329.849 3.738 20 0 EHADRM CN(C(=O)/C=C/Sc1ccccc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737314675 600599867 /nfs/dbraw/zinc/59/98/67/600599867.db2.gz RDLZFPZAKBUVLG-GZKZCVOOSA-N -1 0 327.405 3.577 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000738213716 600600990 /nfs/dbraw/zinc/60/09/90/600600990.db2.gz OVSNZBKVHDSEMR-HNNXBMFYSA-N -1 0 349.839 3.960 20 0 EHADRM CN(C(=O)c1cc2c(s1)CCCC2)[C@H](C(=O)[O-])c1ccccc1 ZINC000737332775 600602734 /nfs/dbraw/zinc/60/27/34/600602734.db2.gz CAVPIDPXCAPWJF-INIZCTEOSA-N -1 0 329.421 3.525 20 0 EHADRM O=C([O-])CN(C(=O)CCCOc1ccc(Cl)cc1)c1ccccc1 ZINC000337700190 600603665 /nfs/dbraw/zinc/60/36/65/600603665.db2.gz BIDGFYQIVROXGW-UHFFFAOYSA-N -1 0 347.798 3.617 20 0 EHADRM O=C([O-])CN(C(=O)c1cc2ccc(F)cc2s1)c1ccccc1 ZINC000390932777 600604885 /nfs/dbraw/zinc/60/48/85/600604885.db2.gz JGOFEDZKFODVTH-UHFFFAOYSA-N -1 0 329.352 3.772 20 0 EHADRM C[C@@H](CSCC(=O)N[C@@H](c1ccccc1)C1CCCCC1)C(=O)[O-] ZINC000736614447 600605068 /nfs/dbraw/zinc/60/50/68/600605068.db2.gz CPOXTADUTRDYBI-KSSFIOAISA-N -1 0 349.496 3.878 20 0 EHADRM CC(C)CCOc1ccc(C(=O)N(CC(=O)[O-])c2ccccc2)cc1 ZINC000337755983 600606454 /nfs/dbraw/zinc/60/64/54/600606454.db2.gz SLXFEACDKQJGCP-UHFFFAOYSA-N -1 0 341.407 3.843 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)C[C@@H]1CCc2ccccc21 ZINC000740242707 600608166 /nfs/dbraw/zinc/60/81/66/600608166.db2.gz QPTYJXPZNZHPRM-HNNXBMFYSA-N -1 0 335.403 3.784 20 0 EHADRM C[C@H](CC(=O)N[C@@](C)(C(=O)[O-])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000237410927 600611799 /nfs/dbraw/zinc/61/17/99/600611799.db2.gz AWPUYEKYKRAVCW-QLJPJBMISA-N -1 0 343.345 3.569 20 0 EHADRM O=C([O-])c1ccc2ccccc2c1OC(=O)[C@H]1COc2ccccc21 ZINC000740204160 600616729 /nfs/dbraw/zinc/61/67/29/600616729.db2.gz UTJGFYXXRRXPNG-INIZCTEOSA-N -1 0 334.327 3.620 20 0 EHADRM C[C@H](C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-])C(C)(C)C ZINC000439947700 600617769 /nfs/dbraw/zinc/61/77/69/600617769.db2.gz RVIADKYATBRHOG-KDOFPFPSSA-N -1 0 341.451 3.882 20 0 EHADRM CC(C)(C)c1ccc(CCCC(=O)N[C@](C)(C(=O)[O-])C2CC2)cc1 ZINC000236583134 600617801 /nfs/dbraw/zinc/61/78/01/600617801.db2.gz QGTHKRNBGMLXON-FQEVSTJZSA-N -1 0 331.456 3.676 20 0 EHADRM Cc1cc(COC(=O)[C@H](Cc2ccccc2)C(C)C)oc1C(=O)[O-] ZINC000738393763 600618500 /nfs/dbraw/zinc/61/85/00/600618500.db2.gz YYBILLHWBGTINH-MRXNPFEDSA-N -1 0 330.380 3.844 20 0 EHADRM CCc1c(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cnn1C(C)(C)C ZINC000737247623 600622061 /nfs/dbraw/zinc/62/20/61/600622061.db2.gz MBMHXAVYARMFSA-UHFFFAOYSA-N -1 0 349.818 3.804 20 0 EHADRM Cc1ccc(OCC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c(C)c1 ZINC000322573617 600622248 /nfs/dbraw/zinc/62/22/48/600622248.db2.gz GIQQFIVXRGERPC-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1ccc(Oc2ccnc3ccccc32)cc1 ZINC000191593492 600624060 /nfs/dbraw/zinc/62/40/60/600624060.db2.gz GOVCEIVZRNNNML-CVEARBPZSA-N -1 0 348.358 3.686 20 0 EHADRM CCc1cccc(OCC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000322571624 600624454 /nfs/dbraw/zinc/62/44/54/600624454.db2.gz FYHDQTSQBFBUFF-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)CCc2nc3ccccc3o2)c1 ZINC000739269064 600624705 /nfs/dbraw/zinc/62/47/05/600624705.db2.gz DBAJGFPCGTYZAM-UHFFFAOYSA-N -1 0 344.754 3.751 20 0 EHADRM Cc1cc(OCC(=O)N2c3ccccc3CC[C@@H]2C)c(C(=O)[O-])s1 ZINC000738464695 600640039 /nfs/dbraw/zinc/64/00/39/600640039.db2.gz KVSKUSVEBKNPFS-NSHDSACASA-N -1 0 345.420 3.501 20 0 EHADRM C[C@H]1CCc2[nH]c3ccc(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)cc3c2C1 ZINC000736802715 600642910 /nfs/dbraw/zinc/64/29/10/600642910.db2.gz PXYOBAJKINBFMV-GTNSWQLSSA-N -1 0 342.439 3.522 20 0 EHADRM Cc1cccc2cc(C(=O)O[C@@H](C(=O)[O-])c3ccccc3F)oc21 ZINC000832974412 600654052 /nfs/dbraw/zinc/65/40/52/600654052.db2.gz KPQCSBFJOBYIJB-MRXNPFEDSA-N -1 0 328.295 3.863 20 0 EHADRM CSc1ccc(O[C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000540702952 600660707 /nfs/dbraw/zinc/66/07/07/600660707.db2.gz PNQFVELEGBEMRX-JTQLQIEISA-N -1 0 349.383 3.652 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NC2(c3ccc(Cl)cc3)CCC2)C1 ZINC000179977917 600660925 /nfs/dbraw/zinc/66/09/25/600660925.db2.gz NJQWEJAYUYNQGL-CHWSQXEVSA-N -1 0 335.831 3.726 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)C)cc2)c(C(=O)[O-])[nH]1 ZINC000738421214 600662553 /nfs/dbraw/zinc/66/25/53/600662553.db2.gz DYLFZMVOWXPICV-LSDHHAIUSA-N -1 0 326.396 3.887 20 0 EHADRM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000262104037 600662824 /nfs/dbraw/zinc/66/28/24/600662824.db2.gz FVSRWIQCDPTZCS-CVEARBPZSA-N -1 0 327.380 3.521 20 0 EHADRM O=C([O-])c1cccc(COC(=O)c2cc(Cl)cc3cccnc32)c1 ZINC000833329553 600669230 /nfs/dbraw/zinc/66/92/30/600669230.db2.gz OJHDCHNTNZFNCH-UHFFFAOYSA-N -1 0 341.750 3.943 20 0 EHADRM C/C(=C\C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC000736120941 600671614 /nfs/dbraw/zinc/67/16/14/600671614.db2.gz MKYXRVATSIQYFU-PLWJUESGSA-N -1 0 343.345 3.724 20 0 EHADRM Cc1ncc(CNc2ccc(C(=O)[O-])cc2OCC(F)(F)F)s1 ZINC000738884832 600677334 /nfs/dbraw/zinc/67/73/34/600677334.db2.gz DZKCUVMXJZICTP-UHFFFAOYSA-N -1 0 346.330 3.703 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000832976942 600677863 /nfs/dbraw/zinc/67/78/63/600677863.db2.gz JHVRHSCARXMLCQ-ACJLOTCBSA-N -1 0 330.355 3.997 20 0 EHADRM O=C([O-])[C@H](OC(=O)C[C@H]1CCc2ccccc21)c1ccccc1F ZINC000833097154 600677930 /nfs/dbraw/zinc/67/79/30/600677930.db2.gz HKASFARPAOOHMA-FZKQIMNGSA-N -1 0 328.339 3.615 20 0 EHADRM O=C([O-])[C@@H](OC(=O)CCc1cc(Cl)cs1)c1ccccc1F ZINC000833101568 600680071 /nfs/dbraw/zinc/68/00/71/600680071.db2.gz WLAMNDQCYWHTAC-AWEZNQCLSA-N -1 0 342.775 3.842 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1c(F)cc(F)cc1F)c1cccc(Cl)c1 ZINC000833349366 600688475 /nfs/dbraw/zinc/68/84/75/600688475.db2.gz CHIYIVIWYOJRFA-ZDUSSCGKSA-N -1 0 344.672 3.740 20 0 EHADRM Cc1cc2c(cc1C)O[C@@H](c1nc(-c3ccc(C(=O)[O-])cc3)no1)C2 ZINC000832906268 600692994 /nfs/dbraw/zinc/69/29/94/600692994.db2.gz ZRMOUZVIFZZSPU-MRXNPFEDSA-N -1 0 336.347 3.728 20 0 EHADRM O=C([O-])c1ccc(-c2noc([C@@H]3C[C@@H]3c3cc(F)ccc3F)n2)cc1 ZINC000833309057 600693477 /nfs/dbraw/zinc/69/34/77/600693477.db2.gz XKKNBVGOOJSYSP-TZMCWYRMSA-N -1 0 342.301 3.984 20 0 EHADRM COc1cccc([C@H]2C[C@H]2c2nc(-c3cccc(C(=O)[O-])c3)no2)c1 ZINC000832541119 600694327 /nfs/dbraw/zinc/69/43/27/600694327.db2.gz ZYZKGPHFNSVGOK-HZPDHXFCSA-N -1 0 336.347 3.715 20 0 EHADRM C[C@@H](Oc1ccccc1F)c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000827901820 600696254 /nfs/dbraw/zinc/69/62/54/600696254.db2.gz AVOSQULBWVLKDJ-SNVBAGLBSA-N -1 0 328.299 3.714 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000262388641 600696371 /nfs/dbraw/zinc/69/63/71/600696371.db2.gz FHTNWQSXHLDISV-BZSNNMDCSA-N -1 0 341.451 3.627 20 0 EHADRM O=C([O-])c1cccc(-c2noc([C@H]3C[C@H]3c3cc(F)ccc3F)n2)c1 ZINC000833327527 600697282 /nfs/dbraw/zinc/69/72/82/600697282.db2.gz BBRUAMCDMVCTSR-JSGCOSHPSA-N -1 0 342.301 3.984 20 0 EHADRM C/C(=C/C(=O)O[C@H](C(=O)[O-])C(C)C)c1ccccc1C(F)(F)F ZINC000825724959 600697774 /nfs/dbraw/zinc/69/77/74/600697774.db2.gz YCYLJRCLANHBFZ-GDAGCXPBSA-N -1 0 330.302 3.761 20 0 EHADRM Cc1nc(C(C)C)sc1-c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000832993820 600698179 /nfs/dbraw/zinc/69/81/79/600698179.db2.gz GBHWQKJVCBLMEQ-UHFFFAOYSA-N -1 0 329.381 3.990 20 0 EHADRM C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)NCCCC(=O)[O-] ZINC000414629013 600700651 /nfs/dbraw/zinc/70/06/51/600700651.db2.gz PXCMEDQKEBHCFB-HNNXBMFYSA-N -1 0 340.423 3.921 20 0 EHADRM C[C@H](CC(=O)c1cccc(F)c1)C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000827392232 600708359 /nfs/dbraw/zinc/70/83/59/600708359.db2.gz WCYLSTQWJIKIHI-GHMZBOCLSA-N -1 0 348.326 3.630 20 0 EHADRM O=C([O-])[C@@H](OC(=O)[C@H]1CCSc2ccccc21)c1ccccc1F ZINC000833349147 600710745 /nfs/dbraw/zinc/71/07/45/600710745.db2.gz BSPPTJCRGSHAIH-LRDDRELGSA-N -1 0 346.379 3.774 20 0 EHADRM C[C@H](CC(=O)c1ccccc1F)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000827397620 600713481 /nfs/dbraw/zinc/71/34/81/600713481.db2.gz LQUCOBSEHHLMPK-MNOVXSKESA-N -1 0 348.326 3.630 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000827427563 600721597 /nfs/dbraw/zinc/72/15/97/600721597.db2.gz KMMXZDVCXXDEKJ-SJCJKPOMSA-N -1 0 348.345 3.903 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000827427323 600721604 /nfs/dbraw/zinc/72/16/04/600721604.db2.gz FJXUQYQYHFBDIP-SJCJKPOMSA-N -1 0 348.345 3.903 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)OCCCc2ccc(Cl)cc2)cc1O ZINC000833284500 600731742 /nfs/dbraw/zinc/73/17/42/600731742.db2.gz XGBLUZWKIHVZRD-UHFFFAOYSA-N -1 0 349.770 3.925 20 0 EHADRM CCCN(CC(=O)[O-])Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000184913583 600739628 /nfs/dbraw/zinc/73/96/28/600739628.db2.gz GLEKFNJYRSUWFF-UHFFFAOYSA-N -1 0 338.860 3.684 20 0 EHADRM C[C@@H](CCOc1ccccc1)C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000827422055 600742157 /nfs/dbraw/zinc/74/21/57/600742157.db2.gz JJESEGBXFRKCMM-ZDUSSCGKSA-N -1 0 346.354 3.672 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2C(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000263463538 600747875 /nfs/dbraw/zinc/74/78/75/600747875.db2.gz JKOBOYXPUKXIKW-ABHNRTSZSA-N -1 0 344.455 3.875 20 0 EHADRM Cc1ccc(Oc2ccc(N[C@H](C(=O)[O-])c3ccccc3)cc2)nn1 ZINC000832953187 600754273 /nfs/dbraw/zinc/75/42/73/600754273.db2.gz BVXCMGIDIBSRBN-SFHVURJKSA-N -1 0 335.363 3.815 20 0 EHADRM Cc1ccc(Oc2ccc(N[C@@H](C(=O)[O-])c3ccccc3)cc2)nn1 ZINC000832953185 600754321 /nfs/dbraw/zinc/75/43/21/600754321.db2.gz BVXCMGIDIBSRBN-GOSISDBHSA-N -1 0 335.363 3.815 20 0 EHADRM C[C@H]1CCC[C@H](C)N(C(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000828234347 600773376 /nfs/dbraw/zinc/77/33/76/600773376.db2.gz XZGIJWXAQTZSGD-KBPBESRZSA-N -1 0 333.432 3.539 20 0 EHADRM Cc1cc(C(=O)NC(C)(C)CC(=O)[O-])sc1-c1ccc(F)cc1 ZINC000738333141 600781222 /nfs/dbraw/zinc/78/12/22/600781222.db2.gz QZJXEGWLPJQKCS-UHFFFAOYSA-N -1 0 335.400 3.846 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc2cc[nH]c2c1)c1cccc(Cl)c1 ZINC000776676870 600799557 /nfs/dbraw/zinc/79/95/57/600799557.db2.gz IQNMHGFDXTWWEO-INIZCTEOSA-N -1 0 342.782 3.767 20 0 EHADRM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1)c1cccc(F)c1 ZINC000776671971 600801254 /nfs/dbraw/zinc/80/12/54/600801254.db2.gz GOYPPOGYXLPUAX-BDJLRTHQSA-N -1 0 349.789 3.915 20 0 EHADRM Cc1ccc(S[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)c(C)c1 ZINC000832958256 600804929 /nfs/dbraw/zinc/80/49/29/600804929.db2.gz YAJZEFKXZZISIO-CQSZACIVSA-N -1 0 347.461 3.961 20 0 EHADRM CN(Cc1cscn1)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000830869784 600818848 /nfs/dbraw/zinc/81/88/48/600818848.db2.gz JEJPKJMKUVIOCC-UHFFFAOYSA-N -1 0 345.449 3.597 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)sc1C(=O)[O-] ZINC000738235448 600826380 /nfs/dbraw/zinc/82/63/80/600826380.db2.gz UOPDCJHHZIJRAT-NXEZZACHSA-N -1 0 337.347 3.775 20 0 EHADRM O=C([O-])c1cccc(-c2nc(CN(CC(F)F)C3CC3)cs2)c1 ZINC000578995388 600826520 /nfs/dbraw/zinc/82/65/20/600826520.db2.gz KRBMYSCDTNZNGN-UHFFFAOYSA-N -1 0 338.379 3.738 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)C1 ZINC000736774481 600827395 /nfs/dbraw/zinc/82/73/95/600827395.db2.gz ILRZBMQBOSOTDE-ZJUUUORDSA-N -1 0 333.413 3.601 20 0 EHADRM Cc1ccc(-c2cnc(CN3Cc4ccc(C(=O)[O-])cc4C3)o2)cc1 ZINC000832907096 600827669 /nfs/dbraw/zinc/82/76/69/600827669.db2.gz MQVUQWQHIHGHDH-UHFFFAOYSA-N -1 0 334.375 3.864 20 0 EHADRM CC/C(=C\C(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccc(C)cc1 ZINC000736834743 600831446 /nfs/dbraw/zinc/83/14/46/600831446.db2.gz JAMMWLMDEDYUNM-RVDMUPIBSA-N -1 0 339.391 3.891 20 0 EHADRM C[C@H]1SCCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)[C@@H]1C ZINC000567510131 600831957 /nfs/dbraw/zinc/83/19/57/600831957.db2.gz WDTBMGOTWGQXFV-VXGBXAGGSA-N -1 0 348.493 3.834 20 0 EHADRM CSCCCSc1nc(C)nc2sc(C(=O)[O-])c(C)c21 ZINC000832763137 600833666 /nfs/dbraw/zinc/83/36/66/600833666.db2.gz YTEKDSCNLTVJGD-UHFFFAOYSA-N -1 0 328.484 3.852 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)c(F)c1 ZINC000479520938 600840103 /nfs/dbraw/zinc/84/01/03/600840103.db2.gz ZYWGCBBVFRFDTM-WDEREUQCSA-N -1 0 335.281 3.544 20 0 EHADRM C[C@@H](Sc1nnc(CCc2ccccc2)o1)c1ccc(C(=O)[O-])o1 ZINC000827929050 600845499 /nfs/dbraw/zinc/84/54/99/600845499.db2.gz USXQHQAZTNUBCP-LLVKDONJSA-N -1 0 344.392 3.999 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)CCc2c[nH]c3ccccc23)c2ccccc21 ZINC000739643608 600848317 /nfs/dbraw/zinc/84/83/17/600848317.db2.gz WBQNFNBDRTZPFZ-OAHLLOKOSA-N -1 0 348.402 3.706 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000237328846 600853284 /nfs/dbraw/zinc/85/32/84/600853284.db2.gz CLFCMEBPDCXWDG-SWLSCSKDSA-N -1 0 349.427 3.788 20 0 EHADRM Cc1cc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c2ccccc2n1 ZINC000738327804 600854368 /nfs/dbraw/zinc/85/43/68/600854368.db2.gz QMRFCVXPPMOFPV-CQSZACIVSA-N -1 0 346.386 3.762 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1cccc(-c2cscn2)c1 ZINC000833224842 600856963 /nfs/dbraw/zinc/85/69/63/600856963.db2.gz BOTLPCSOUMPKKS-UHFFFAOYSA-N -1 0 332.425 3.575 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000736626755 600857046 /nfs/dbraw/zinc/85/70/46/600857046.db2.gz MWCJAGSALCHSSI-HIFRSBDPSA-N -1 0 341.382 3.609 20 0 EHADRM CC(C)[C@H](C(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000262574497 600860973 /nfs/dbraw/zinc/86/09/73/600860973.db2.gz NWRPZNBKQDDPPD-SFHVURJKSA-N -1 0 327.380 3.528 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000262345478 600863099 /nfs/dbraw/zinc/86/30/99/600863099.db2.gz GRTKBVRCJOSDFT-SIUPPRGNSA-N -1 0 347.430 3.639 20 0 EHADRM CCc1ccc(CCC(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000327466491 600863120 /nfs/dbraw/zinc/86/31/20/600863120.db2.gz WJZNDBAIVLZLJZ-KRWDZBQOSA-N -1 0 337.419 3.787 20 0 EHADRM O=C([O-])CC1CCN(C(=O)C2CCC(c3ccccc3)CC2)CC1 ZINC000262376887 600866234 /nfs/dbraw/zinc/86/62/34/600866234.db2.gz BUUQNAZXEYGLSS-UHFFFAOYSA-N -1 0 329.440 3.674 20 0 EHADRM CCC/C(C)=C\C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000736958381 600868490 /nfs/dbraw/zinc/86/84/90/600868490.db2.gz ACLIMZHEIXECBB-YVMONPNESA-N -1 0 344.180 3.971 20 0 EHADRM CC(C)Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000326635284 600870986 /nfs/dbraw/zinc/87/09/86/600870986.db2.gz RXGZPCRKCWCTLX-BMGDILEWSA-N -1 0 331.456 3.953 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000431974297 600878642 /nfs/dbraw/zinc/87/86/42/600878642.db2.gz QWNNVNBOVQAFAT-UHFFFAOYSA-N -1 0 336.347 3.529 20 0 EHADRM Cc1cc(C)cc(OCC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000327520456 600879463 /nfs/dbraw/zinc/87/94/63/600879463.db2.gz IDLWUICUEBVYDS-UHFFFAOYSA-N -1 0 341.407 3.683 20 0 EHADRM CCSc1cc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)ccn1 ZINC000737230723 600882770 /nfs/dbraw/zinc/88/27/70/600882770.db2.gz BMGQWSRFILKVSR-UHFFFAOYSA-N -1 0 344.436 3.808 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@H](C)CCc2cccc(F)c2)c1 ZINC000832179195 600883028 /nfs/dbraw/zinc/88/30/28/600883028.db2.gz VHPYJUBHYDQRBN-GFCCVEGCSA-N -1 0 345.370 3.740 20 0 EHADRM CCCOc1ccc([C@H](C)NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000829528326 600885356 /nfs/dbraw/zinc/88/53/56/600885356.db2.gz VAFRLHRQOUHMPO-IMJJTQAJSA-N -1 0 333.428 3.544 20 0 EHADRM CC(C)CN(CCc1ccccc1)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000826881086 600886207 /nfs/dbraw/zinc/88/62/07/600886207.db2.gz CXLLJLMDPRJEBF-ROUUACIJSA-N -1 0 331.456 3.605 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)Nc3cc(C(=O)[O-])ccn3)o2)cc1 ZINC000830229381 600886188 /nfs/dbraw/zinc/88/61/88/600886188.db2.gz RUEHKUSFLNJIBJ-UHFFFAOYSA-N -1 0 336.347 3.855 20 0 EHADRM CCOc1c(F)cccc1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000237024762 600888738 /nfs/dbraw/zinc/88/87/38/600888738.db2.gz PAIYZIHRYBVMMV-UHFFFAOYSA-N -1 0 337.734 3.828 20 0 EHADRM Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)C2 ZINC000237901030 600888780 /nfs/dbraw/zinc/88/87/80/600888780.db2.gz MEHKMSQIMXNVMD-MRXNPFEDSA-N -1 0 345.782 3.597 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2cccnc2Oc2ccccc2)C1 ZINC000833188230 600889651 /nfs/dbraw/zinc/88/96/51/600889651.db2.gz WZFIDENIYXJSAQ-ZIAGYGMSSA-N -1 0 340.379 3.703 20 0 EHADRM COc1cc(C(=O)[O-])cc(N[C@H](C)c2c(F)cccc2F)c1OC ZINC000831914099 600894882 /nfs/dbraw/zinc/89/48/82/600894882.db2.gz ZVDMJMRDJAOBIF-SECBINFHSA-N -1 0 337.322 3.853 20 0 EHADRM CCC(CC)[C@H](NC(=O)c1cccc(C(=O)[O-])n1)c1ccccc1 ZINC000828854429 600899721 /nfs/dbraw/zinc/89/97/21/600899721.db2.gz DLAHFVJFQBFPFT-KRWDZBQOSA-N -1 0 326.396 3.687 20 0 EHADRM COc1ccc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c(C(F)(F)F)c1 ZINC000326599104 600903629 /nfs/dbraw/zinc/90/36/29/600903629.db2.gz FVRCKZDZGXIUTD-UWVGGRQHSA-N -1 0 345.317 3.544 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000236952215 600903928 /nfs/dbraw/zinc/90/39/28/600903928.db2.gz PSYADGPNWKZKDQ-RWSFTLGLSA-N -1 0 345.361 3.815 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(F)c(Cl)c1 ZINC000179977705 600908991 /nfs/dbraw/zinc/90/89/91/600908991.db2.gz QFSPTBLZIHLARM-WCQGTBRESA-N -1 0 327.783 3.547 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@H](Sc1ccccc1)C(C)C)C(=O)[O-] ZINC000486306591 600919798 /nfs/dbraw/zinc/91/97/98/600919798.db2.gz YXLHSOUCIOUNHM-GDBMZVCRSA-N -1 0 337.485 3.666 20 0 EHADRM C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)CCCNC(=O)[O-] ZINC000827928715 600930075 /nfs/dbraw/zinc/93/00/75/600930075.db2.gz NXDNKISXRZYWIF-OAHLLOKOSA-N -1 0 340.423 3.921 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cc(-c3ccccc3)[nH]n2)cc1 ZINC000486355490 600931832 /nfs/dbraw/zinc/93/18/32/600931832.db2.gz GZMIYLFQXSVWCP-UHFFFAOYSA-N -1 0 349.390 3.691 20 0 EHADRM CCCC[C@@H](Sc1nnc(COc2cccc(C)c2)o1)C(=O)[O-] ZINC000736983557 600934786 /nfs/dbraw/zinc/93/47/86/600934786.db2.gz APLFKUFYUGIDFC-CYBMUJFWSA-N -1 0 336.413 3.693 20 0 EHADRM Cc1ccccc1-c1csc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)n1 ZINC000832975387 600941879 /nfs/dbraw/zinc/94/18/79/600941879.db2.gz WISPUQVGMUFRSL-OLZOCXBDSA-N -1 0 344.436 3.948 20 0 EHADRM CN(Cc1ncc(-c2ccccc2F)o1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737497158 600958394 /nfs/dbraw/zinc/95/83/94/600958394.db2.gz YYLQWYKAYCOXOO-GOSISDBHSA-N -1 0 340.354 3.738 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2cc(C3CCCCCC3)[nH]n2)C1 ZINC000833185659 600960305 /nfs/dbraw/zinc/96/03/05/600960305.db2.gz HYPUCSQHMKOHPN-UONOGXRCSA-N -1 0 333.432 3.677 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000829009937 600966916 /nfs/dbraw/zinc/96/69/16/600966916.db2.gz WFXIBTBKUXUSSF-WOPDTQHZSA-N -1 0 325.430 3.759 20 0 EHADRM C[C@@]1(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CCc2ccccc2C1 ZINC000827975727 600969594 /nfs/dbraw/zinc/96/95/94/600969594.db2.gz CSEGRRBAIPJMFQ-LJQANCHMSA-N -1 0 345.345 3.797 20 0 EHADRM COc1ccc(Cl)c(NC(=S)Nc2cccc(C(=O)[O-])c2)c1 ZINC000832362710 600969727 /nfs/dbraw/zinc/96/97/27/600969727.db2.gz PJLAVKJGUOTRBO-UHFFFAOYSA-N -1 0 336.800 3.856 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=S)N[C@@H]1CCc2ccccc2C1 ZINC000832915255 600970195 /nfs/dbraw/zinc/97/01/95/600970195.db2.gz KGXZXDXDRINORU-MRXNPFEDSA-N -1 0 340.448 3.537 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000829009975 600970366 /nfs/dbraw/zinc/97/03/66/600970366.db2.gz XLJTXRNVXFGHAI-GHJWDPDVSA-N -1 0 337.391 3.836 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000827427826 600970400 /nfs/dbraw/zinc/97/04/00/600970400.db2.gz OZVVWOCXBBMFGB-LLVKDONJSA-N -1 0 333.334 3.870 20 0 EHADRM Cc1c(NC(=S)N[C@H]2CCc3ccccc3C2)cccc1C(=O)[O-] ZINC000832857049 600970822 /nfs/dbraw/zinc/97/08/22/600970822.db2.gz ZPWNTFSLOFVYOH-HNNXBMFYSA-N -1 0 340.448 3.537 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000833293643 600972866 /nfs/dbraw/zinc/97/28/66/600972866.db2.gz BPISYCKJOVMQHT-VBKZILBWSA-N -1 0 339.366 3.757 20 0 EHADRM CCC(CC)(NC(=O)c1cc(Cl)ccc1OC(C)C)C(=O)[O-] ZINC000828838657 600976780 /nfs/dbraw/zinc/97/67/80/600976780.db2.gz WBWLLWWSTLKAIS-UHFFFAOYSA-N -1 0 327.808 3.500 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2cccc(Oc3ccccn3)c2)C1 ZINC000191589435 600977491 /nfs/dbraw/zinc/97/74/91/600977491.db2.gz UXDIJDZZSVNXNA-UONOGXRCSA-N -1 0 340.379 3.703 20 0 EHADRM CCCn1ccc2ccc(NC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)cc21 ZINC000829585454 600978608 /nfs/dbraw/zinc/97/86/08/600978608.db2.gz XZAKLRJDHLATAV-HUUCEWRRSA-N -1 0 328.412 3.881 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cccc2c1CCC2)c1cccc(Cl)c1 ZINC000799244696 600980204 /nfs/dbraw/zinc/98/02/04/600980204.db2.gz HYEPZQJIPWFIMW-KRWDZBQOSA-N -1 0 343.810 3.775 20 0 EHADRM CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000736691326 600980636 /nfs/dbraw/zinc/98/06/36/600980636.db2.gz QWSUTAXKWVFAKX-CYBMUJFWSA-N -1 0 340.375 3.936 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000175061312 600981919 /nfs/dbraw/zinc/98/19/19/600981919.db2.gz HKKHBYDPKOVSAQ-WDEREUQCSA-N -1 0 329.318 3.843 20 0 EHADRM Cc1csc([C@H](NC(=O)Nc2cc(C(=O)[O-])ccc2C)C2CC2)n1 ZINC000832988891 600997340 /nfs/dbraw/zinc/99/73/40/600997340.db2.gz MUWLLONLLKBWLV-CQSZACIVSA-N -1 0 345.424 3.731 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000826775111 601002593 /nfs/dbraw/zinc/00/25/93/601002593.db2.gz DWAFVXLGDGYHHX-CQSZACIVSA-N -1 0 348.443 3.876 20 0 EHADRM CCCCCC[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000736983177 601008254 /nfs/dbraw/zinc/00/82/54/601008254.db2.gz AYKHFEJUQKSKFK-XHDPSFHLSA-N -1 0 327.371 3.813 20 0 EHADRM CC[C@](C)(NC(=O)Nc1cccc(C(=O)[O-])c1)c1nc(C)cs1 ZINC000828686120 601008539 /nfs/dbraw/zinc/00/85/39/601008539.db2.gz VAHPXHROLNDZJA-INIZCTEOSA-N -1 0 333.413 3.597 20 0 EHADRM C[C@H](CNC(=O)Nc1cc(C(=O)[O-])ccc1F)Sc1ccccc1 ZINC000827476621 601010205 /nfs/dbraw/zinc/01/02/05/601010205.db2.gz CLQXZYXCXIXXCN-LLVKDONJSA-N -1 0 348.399 3.826 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)c2cccc(Cl)c2)c1 ZINC000737932102 601010500 /nfs/dbraw/zinc/01/05/00/601010500.db2.gz RIZDYFALCCSMCM-JTQLQIEISA-N -1 0 333.771 3.789 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)CCCOc1ccccc1Cl ZINC000739891779 601022244 /nfs/dbraw/zinc/02/22/44/601022244.db2.gz ILOLQZXNMFBJEK-UHFFFAOYSA-N -1 0 348.782 3.732 20 0 EHADRM CCCOc1cc(C)ccc1NC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000829527721 601023256 /nfs/dbraw/zinc/02/32/56/601023256.db2.gz LFVGYGSREPIDGI-AWEZNQCLSA-N -1 0 336.432 3.652 20 0 EHADRM CCC(CC)c1cc(CNC(=O)Nc2cccc(NC(=O)[O-])c2)on1 ZINC000828862043 601023468 /nfs/dbraw/zinc/02/34/68/601023468.db2.gz HFTMVTZLEYIOBG-UHFFFAOYSA-N -1 0 346.387 3.990 20 0 EHADRM CCO[C@H](C)c1nc(CN(C)[C@@H](C)c2ccc(C(=O)[O-])o2)cs1 ZINC000568992547 601023603 /nfs/dbraw/zinc/02/36/03/601023603.db2.gz OXDBRSGTZQYPTM-WDEREUQCSA-N -1 0 338.429 3.725 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N(CCC(=O)[O-])c2cccc(F)c2)cc1 ZINC000737257519 601027319 /nfs/dbraw/zinc/02/73/19/601027319.db2.gz QFSBNVDUXTVUJT-AWEZNQCLSA-N -1 0 343.398 4.000 20 0 EHADRM CSc1ccsc1C(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC000738210093 601027536 /nfs/dbraw/zinc/02/75/36/601027536.db2.gz PZFLMGJAZRDLCW-UHFFFAOYSA-N -1 0 339.413 3.731 20 0 EHADRM O=C([O-])CCN(C(=O)[C@H]1C[C@H]1C1CCCCC1)c1cccc(F)c1 ZINC000739711232 601027833 /nfs/dbraw/zinc/02/78/33/601027833.db2.gz IPUJPWNFOQTCLQ-IRXDYDNUSA-N -1 0 333.403 3.850 20 0 EHADRM CSCc1ccc(C(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)cc1 ZINC000738194551 601036092 /nfs/dbraw/zinc/03/60/92/601036092.db2.gz DHPOCDNQPBUHFX-UHFFFAOYSA-N -1 0 348.449 3.514 20 0 EHADRM C[C@H]1Cc2ccccc2CN1C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000828516847 601037569 /nfs/dbraw/zinc/03/75/69/601037569.db2.gz UXAMKKUOEBBRBJ-NSHDSACASA-N -1 0 343.358 3.894 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N[C@H]2C[C@@H]2Cc2ccccc2)ccc1F ZINC000833283787 601038604 /nfs/dbraw/zinc/03/86/04/601038604.db2.gz WBTXLAKWJXETTC-WFASDCNBSA-N -1 0 343.358 3.668 20 0 EHADRM CCCn1ccc2cc(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])ccc21 ZINC000829585240 601041747 /nfs/dbraw/zinc/04/17/47/601041747.db2.gz IPOVWUNQXOTZFK-HNNXBMFYSA-N -1 0 345.443 3.920 20 0 EHADRM CC[C@H]1CN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)CCS1 ZINC000563280533 601042285 /nfs/dbraw/zinc/04/22/85/601042285.db2.gz XDPKFVNVBHCJEV-HNNXBMFYSA-N -1 0 348.493 3.836 20 0 EHADRM O=C([O-])c1ccc(CN2CC(OCc3cccc4ccccc43)C2)o1 ZINC000833313985 601047845 /nfs/dbraw/zinc/04/78/45/601047845.db2.gz DVRGLTBKSUTSHO-UHFFFAOYSA-N -1 0 337.375 3.532 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)N[C@@H]2C[C@H]2C2CCCCC2)cc1 ZINC000833280713 601053499 /nfs/dbraw/zinc/05/34/99/601053499.db2.gz AMHCHGUZOVZWGY-JKSUJKDBSA-N -1 0 331.416 3.545 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H]2CCc3c2cccc3O)cc1Cl ZINC000833155266 601055885 /nfs/dbraw/zinc/05/58/85/601055885.db2.gz XUZPMOVJRIOQPZ-AWEZNQCLSA-N -1 0 346.770 3.553 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)/C=C(\C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000736868788 601057562 /nfs/dbraw/zinc/05/75/62/601057562.db2.gz AXNSITMQWQNDCJ-NCUFRGKYSA-N -1 0 343.345 3.724 20 0 EHADRM C[C@@H](C(=O)N(C[C@H](C)C(=O)[O-])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000262091837 601057693 /nfs/dbraw/zinc/05/76/93/601057693.db2.gz CSGBJGYHFLDTBU-VHSXEESVSA-N -1 0 344.238 3.809 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)CCc2ccc(C)o2)cc1 ZINC000237345529 601058282 /nfs/dbraw/zinc/05/82/82/601058282.db2.gz XMPGLJPDWPXFBL-MRXNPFEDSA-N -1 0 347.436 3.575 20 0 EHADRM COc1ccc2sc(C(=O)Nc3cc(C(=O)[O-])ccn3)c(C)c2c1 ZINC000738078563 601061945 /nfs/dbraw/zinc/06/19/45/601061945.db2.gz GRGWRPOEVLTILE-UHFFFAOYSA-N -1 0 342.376 3.564 20 0 EHADRM Cc1ccc(NC(=O)c2cccc(Oc3cnccn3)c2)cc1C(=O)[O-] ZINC000431524504 601062524 /nfs/dbraw/zinc/06/25/24/601062524.db2.gz LWNQQYHDYOBKKW-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM COCc1c2ccccc2oc1C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000362778434 601062670 /nfs/dbraw/zinc/06/26/70/601062670.db2.gz ATDVRKUBAXBOCV-UHFFFAOYSA-N -1 0 339.347 3.838 20 0 EHADRM Cc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1C(=O)[O-] ZINC000237656297 601063914 /nfs/dbraw/zinc/06/39/14/601063914.db2.gz MLPIAKZTZMJXPY-UHFFFAOYSA-N -1 0 325.698 3.877 20 0 EHADRM Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(C)c(C(=O)[O-])c3)cc2)n1 ZINC000237690765 601063950 /nfs/dbraw/zinc/06/39/50/601063950.db2.gz RWJPCYQKYOSTAH-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1F ZINC000833351677 601064501 /nfs/dbraw/zinc/06/45/01/601064501.db2.gz OZJKWNFXFYLDJE-ZDUSSCGKSA-N -1 0 342.244 3.827 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccccc1C(F)(F)F)c1ccc(F)cc1 ZINC000833350038 601064503 /nfs/dbraw/zinc/06/45/03/601064503.db2.gz ICFKHHSBWHIZNK-ZDUSSCGKSA-N -1 0 342.244 3.827 20 0 EHADRM O=C([O-])[C@@H](OC(=O)/C=C\c1ccccc1Cl)c1ccccc1F ZINC000833095764 601065103 /nfs/dbraw/zinc/06/51/03/601065103.db2.gz WZTZWJDVVSXEHO-YDZSZYSISA-N -1 0 334.730 3.861 20 0 EHADRM O=C([O-])[C@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1F ZINC000833171128 601065183 /nfs/dbraw/zinc/06/51/83/601065183.db2.gz VQESGYOLDRJRMK-FVTZREDMSA-N -1 0 332.371 3.711 20 0 EHADRM C[C@H](CCOc1ccccc1)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000827417763 601065437 /nfs/dbraw/zinc/06/54/37/601065437.db2.gz QEODQLISXRKVMU-GFCCVEGCSA-N -1 0 346.358 3.959 20 0 EHADRM CCOC(=O)Nc1ccc(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000829865712 601065657 /nfs/dbraw/zinc/06/56/57/601065657.db2.gz IBSDXGSLASGEQM-UHFFFAOYSA-N -1 0 342.351 3.514 20 0 EHADRM Cc1ccc(NC(=O)c2sccc2OC(F)F)cc1C(=O)[O-] ZINC000237665595 601066949 /nfs/dbraw/zinc/06/69/49/601066949.db2.gz NZMZJZYSIRATIT-UHFFFAOYSA-N -1 0 327.308 3.608 20 0 EHADRM CCCc1c(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)[nH]c(C)c1C(C)=O ZINC000236893635 601066986 /nfs/dbraw/zinc/06/69/86/601066986.db2.gz VXIDJDDJUKRRPO-UHFFFAOYSA-N -1 0 342.395 3.737 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1cc2ccc(F)cc2s1)c1ccccc1 ZINC000325307806 601070331 /nfs/dbraw/zinc/07/03/31/601070331.db2.gz XSCRJRFWWPOCRU-AWEZNQCLSA-N -1 0 343.379 3.639 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)CCc1ccc2ccccc2c1)c1ccccc1 ZINC000486308836 601071050 /nfs/dbraw/zinc/07/10/50/601071050.db2.gz KZEFZVJPHOSIKY-FQEVSTJZSA-N -1 0 347.414 3.757 20 0 EHADRM CC(C)(C(=O)NC[C@H](C(=O)[O-])c1ccccc1)c1ccc(Cl)cc1 ZINC000262870600 601073140 /nfs/dbraw/zinc/07/31/40/601073140.db2.gz XPNCOEPVCUHKOD-INIZCTEOSA-N -1 0 345.826 3.602 20 0 EHADRM CCSCc1cccc(NC(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000830168981 601073823 /nfs/dbraw/zinc/07/38/23/601073823.db2.gz KIQIUIRNYPCITI-UHFFFAOYSA-N -1 0 344.436 3.960 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)NC[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000261696427 601074842 /nfs/dbraw/zinc/07/48/42/601074842.db2.gz OFXJMMKUQFFGSE-ZYSHUDEJSA-N -1 0 339.435 3.801 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccc(-n2cccc2)cc1)c1ccccc1F ZINC000833351968 601076328 /nfs/dbraw/zinc/07/63/28/601076328.db2.gz RDUQIFGTURQYNP-KRWDZBQOSA-N -1 0 339.322 3.599 20 0 EHADRM CCC(C)(C)CC(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000828608524 601078364 /nfs/dbraw/zinc/07/83/64/601078364.db2.gz AAOBKPKMAPTGMX-UHFFFAOYSA-N -1 0 327.371 3.594 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1cc2cc(F)ccc2s1)c1ccccc1 ZINC000325026530 601078576 /nfs/dbraw/zinc/07/85/76/601078576.db2.gz KMALLHASHHUDQG-AWEZNQCLSA-N -1 0 343.379 3.639 20 0 EHADRM C[C@@H](C(=O)N1CCC(CC(=O)[O-])CC1)c1ccc(Cl)c(Cl)c1 ZINC000262426542 601081007 /nfs/dbraw/zinc/08/10/07/601081007.db2.gz LTRPXOYZMCYEEN-SNVBAGLBSA-N -1 0 344.238 3.810 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1cc2sccc2s1)c1ccccc1 ZINC000316391139 601081420 /nfs/dbraw/zinc/08/14/20/601081420.db2.gz QWOSTCNXJBWLJY-LLVKDONJSA-N -1 0 331.418 3.561 20 0 EHADRM CC(C)(C(=O)NC[C@@H](C(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC000262514642 601081682 /nfs/dbraw/zinc/08/16/82/601081682.db2.gz PPQTUCYZIFDCRB-MRXNPFEDSA-N -1 0 345.826 3.602 20 0 EHADRM Cc1ccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])cc1F ZINC000832912099 601085382 /nfs/dbraw/zinc/08/53/82/601085382.db2.gz HKXDYNWZRLYZHC-RDJZCZTQSA-N -1 0 333.403 3.630 20 0 EHADRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)c1ccc(Cl)s1 ZINC000833181089 601085733 /nfs/dbraw/zinc/08/57/33/601085733.db2.gz ZMNNYDNKIWJCBA-NWDGAFQWSA-N -1 0 341.860 3.897 20 0 EHADRM Cc1[nH]c(C(=O)N2CC[C@H]2c2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC000738159404 601087052 /nfs/dbraw/zinc/08/70/52/601087052.db2.gz KHCOLNRAARMSEJ-ZDUSSCGKSA-N -1 0 332.787 3.570 20 0 EHADRM CN(CCc1cccs1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000325380600 601088292 /nfs/dbraw/zinc/08/82/92/601088292.db2.gz WNGKREQKAUXQQX-UHFFFAOYSA-N -1 0 346.452 3.817 20 0 EHADRM Cc1c(Cl)c(C(=O)[O-])nn1CN1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000738290588 601091228 /nfs/dbraw/zinc/09/12/28/601091228.db2.gz RFPNZWLJPQERGB-WFASDCNBSA-N -1 0 347.846 3.626 20 0 EHADRM Cc1ccc(CNC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC000325334649 601096776 /nfs/dbraw/zinc/09/67/76/601096776.db2.gz BNHGKSZIAPBJDT-UHFFFAOYSA-N -1 0 326.396 3.679 20 0 EHADRM C/C(=C/CSc1nnc(-c2ccccc2F)n1C1CC1)C(=O)[O-] ZINC000736121253 601097362 /nfs/dbraw/zinc/09/73/62/601097362.db2.gz LGHWFICQUGVMEH-NTMALXAHSA-N -1 0 333.388 3.542 20 0 EHADRM C/C(=C/COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC000390856234 601097891 /nfs/dbraw/zinc/09/78/91/601097891.db2.gz KSNUSIUERZPLSG-BENRWUELSA-N -1 0 330.767 3.981 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1[nH]c2ccccc2c1Cl)c1ccccc1F ZINC000833349732 601104226 /nfs/dbraw/zinc/10/42/26/601104226.db2.gz FLZOIROIQRUSSR-HNNXBMFYSA-N -1 0 347.729 3.943 20 0 EHADRM Cc1ccc(NC(=O)C[C@@H](C)C(=O)c2cccc(F)c2)cc1C(=O)[O-] ZINC000832942487 601110247 /nfs/dbraw/zinc/11/02/47/601110247.db2.gz CQGVEFHYRJPGPB-GFCCVEGCSA-N -1 0 343.354 3.680 20 0 EHADRM CN(Cc1nc(C(F)(F)F)cs1)[C@H](C(=O)[O-])c1ccccc1F ZINC000570219205 601115851 /nfs/dbraw/zinc/11/58/51/601115851.db2.gz IRVXOQVUFZITGY-LBPRGKRZSA-N -1 0 348.321 3.559 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)O[C@H](C)C(=O)c1ccc(C(C)C)cc1 ZINC000826806075 601120735 /nfs/dbraw/zinc/12/07/35/601120735.db2.gz CXEHWNOOWWEIDK-CZUORRHYSA-N -1 0 349.427 3.607 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000827586339 601122305 /nfs/dbraw/zinc/12/23/05/601122305.db2.gz KSDDBVHEBYPMBJ-BZNIZROVSA-N -1 0 334.318 3.513 20 0 EHADRM CCN(C(=O)C[C@H]1CCCc2ccccc21)c1ncc(C(=O)[O-])s1 ZINC000737052572 601125228 /nfs/dbraw/zinc/12/52/28/601125228.db2.gz LNALYJHMIRHQOW-CYBMUJFWSA-N -1 0 344.436 3.704 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000324932403 601125591 /nfs/dbraw/zinc/12/55/91/601125591.db2.gz NYWGGQKNLNNSCD-LSDHHAIUSA-N -1 0 330.428 3.506 20 0 EHADRM Cc1cc(NC(=O)N(C[C@@H]2CCCO2)C2CCCC2)ccc1C(=O)[O-] ZINC000832895426 601128037 /nfs/dbraw/zinc/12/80/37/601128037.db2.gz VREWGSYBPHKVTK-INIZCTEOSA-N -1 0 346.427 3.649 20 0 EHADRM CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000830156931 601128695 /nfs/dbraw/zinc/12/86/95/601128695.db2.gz AWFHYXMSCGEYBF-KBPBESRZSA-N -1 0 340.420 3.710 20 0 EHADRM Cc1cc(NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)ccc1C(=O)[O-] ZINC000237833852 601137166 /nfs/dbraw/zinc/13/71/66/601137166.db2.gz YZTXQQHQUVOJMI-UHFFFAOYSA-N -1 0 348.358 3.505 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H]2CCc3cc(F)ccc32)cc1C(=O)[O-] ZINC000832947313 601139125 /nfs/dbraw/zinc/13/91/25/601139125.db2.gz RHWQCIBWFVPSDN-MRXNPFEDSA-N -1 0 328.343 3.641 20 0 EHADRM CO[C@@H](C)c1nc(C)c(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)s1 ZINC000831501037 601142191 /nfs/dbraw/zinc/14/21/91/601142191.db2.gz NBWPWWPBTXYMKC-QWRGUYRKSA-N -1 0 349.408 3.775 20 0 EHADRM O=C([O-])c1cccc(C(=O)Oc2ccc(Oc3nccs3)cc2)c1 ZINC000833328306 601144045 /nfs/dbraw/zinc/14/40/45/601144045.db2.gz BKFYJRMJKZHABL-UHFFFAOYSA-N -1 0 341.344 3.853 20 0 EHADRM O=C([O-])CN(C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)c1cccc(F)c1 ZINC000833242572 601144170 /nfs/dbraw/zinc/14/41/70/601144170.db2.gz SAAAEDDFVHMBNL-CVEARBPZSA-N -1 0 347.773 3.700 20 0 EHADRM CCS[C@H]1CCCCN(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)C1 ZINC000830164274 601145922 /nfs/dbraw/zinc/14/59/22/601145922.db2.gz SMCQOPKOBXHYBX-AWEZNQCLSA-N -1 0 336.457 3.833 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)OCc2cnc(-c3ccccc3)s2)C1 ZINC000833190204 601154557 /nfs/dbraw/zinc/15/45/57/601154557.db2.gz WOAKGHHRZVJRGF-ZIAGYGMSSA-N -1 0 345.420 3.744 20 0 EHADRM C[C@H](OC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(OC(F)F)cc1 ZINC000827825144 601157797 /nfs/dbraw/zinc/15/77/97/601157797.db2.gz DASATENSKGWIRM-UHTWSYAYSA-N -1 0 342.338 3.783 20 0 EHADRM C[C@H](CC(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-])c1cccc(F)c1 ZINC000237377070 601165447 /nfs/dbraw/zinc/16/54/47/601165447.db2.gz AQGLBPRRZVOZSG-LPMFXHHGSA-N -1 0 343.398 3.898 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cc2cccc(F)c2o1)c1ccccc1 ZINC000675998713 601165771 /nfs/dbraw/zinc/16/57/71/601165771.db2.gz IQXXGIKFDQKUOE-MEDUHNTESA-N -1 0 341.338 3.764 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1ccc(C(F)F)cc1)c1ccccc1 ZINC000826044364 601166991 /nfs/dbraw/zinc/16/69/91/601166991.db2.gz FYMVBZRLTGKKPM-ABAIWWIYSA-N -1 0 333.334 3.816 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000262548959 601167363 /nfs/dbraw/zinc/16/73/63/601167363.db2.gz UJGAIINBOMXPJP-QWQRMKEZSA-N -1 0 343.398 3.583 20 0 EHADRM CSCc1ccc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000237387391 601167426 /nfs/dbraw/zinc/16/74/26/601167426.db2.gz JMDDANUGDLIANP-SUMWQHHRSA-N -1 0 343.448 3.741 20 0 EHADRM C[C@@H]1[C@H](C)Sc2ccccc2N1C(=O)c1cccc(C(=O)[O-])c1 ZINC000828520782 601173906 /nfs/dbraw/zinc/17/39/06/601173906.db2.gz BEOVDGDGXBXOIC-NEPJUHHUSA-N -1 0 327.405 3.914 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc3nc(C4CC4)oc3c2)s1 ZINC000833312658 601174611 /nfs/dbraw/zinc/17/46/11/601174611.db2.gz XRRBRIOLTBFIFC-UHFFFAOYSA-N -1 0 328.349 3.717 20 0 EHADRM Cc1ccc2nc(C3CC3)cc(C(=O)N(CCC(=O)[O-])C(C)C)c2c1 ZINC000263243695 601181443 /nfs/dbraw/zinc/18/14/43/601181443.db2.gz HDNLJQALWHVMBA-UHFFFAOYSA-N -1 0 340.423 3.746 20 0 EHADRM CCc1[nH]c(C(=O)N[C@H](C)[C@@H](C)c2ccccc2)c(C)c1C(=O)[O-] ZINC000830190500 601184665 /nfs/dbraw/zinc/18/46/65/601184665.db2.gz BAQSOUVFCQUZDR-DGCLKSJQSA-N -1 0 328.412 3.506 20 0 EHADRM Cc1ccc(OC(=O)C2CC(OCc3ccccc3)C2)c(C(=O)[O-])c1 ZINC000832953055 601192817 /nfs/dbraw/zinc/19/28/17/601192817.db2.gz JSCLLUOCDNOKAH-UHFFFAOYSA-N -1 0 340.375 3.594 20 0 EHADRM Cc1c(Cl)cccc1S(=O)(=O)Oc1ccccc1NC(=O)[O-] ZINC000832854280 601226872 /nfs/dbraw/zinc/22/68/72/601226872.db2.gz CRWIYIHKRZQKCE-UHFFFAOYSA-N -1 0 341.772 3.506 20 0 EHADRM COc1ccc(OC)c([C@H](C)Nc2nc(Cl)c(C(=O)[O-])s2)c1 ZINC000832431690 601245902 /nfs/dbraw/zinc/24/59/02/601245902.db2.gz SMJLEOBJBTVCEH-ZETCQYMHSA-N -1 0 342.804 3.685 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Nc1ccc(F)cc1F)c1ccccc1 ZINC000826039163 601246870 /nfs/dbraw/zinc/24/68/70/601246870.db2.gz OGQTUEXBKBUMSM-MEBBXXQBSA-N -1 0 334.322 3.548 20 0 EHADRM O=C([O-])Nc1cccc(OCc2ccn(-c3ccc(F)cc3)n2)c1 ZINC000833288744 601263292 /nfs/dbraw/zinc/26/32/92/601263292.db2.gz GNNOKEKHLYFZKL-UHFFFAOYSA-N -1 0 327.315 3.680 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2occc2Br)c1 ZINC000191013724 601268232 /nfs/dbraw/zinc/26/82/32/601268232.db2.gz YZNPVQWTVIOEPO-UHFFFAOYSA-N -1 0 344.548 3.646 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000832915652 601271574 /nfs/dbraw/zinc/27/15/74/601271574.db2.gz IAGINJGQSDKKCX-INIZCTEOSA-N -1 0 346.427 3.649 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)C/C=C/c1ccc(F)cc1 ZINC000831913950 601273305 /nfs/dbraw/zinc/27/33/05/601273305.db2.gz XLWMYDBGYFUSPF-NSCUHMNNSA-N -1 0 330.311 3.541 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000776635704 601279175 /nfs/dbraw/zinc/27/91/75/601279175.db2.gz WZENOLHDAMIEBF-QBFSEMIESA-N -1 0 327.355 3.586 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1ccc(C(=O)[O-])nc1 ZINC000237687344 601292084 /nfs/dbraw/zinc/29/20/84/601292084.db2.gz XRRGLYGXHQYZBH-NWDGAFQWSA-N -1 0 346.814 3.697 20 0 EHADRM Cc1cccc(C)c1NC(=O)CCCN(C)c1ccccc1C(=O)[O-] ZINC000832964276 601300782 /nfs/dbraw/zinc/30/07/82/601300782.db2.gz ANSBWZAFDUGONE-UHFFFAOYSA-N -1 0 340.423 3.857 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cccc(-c2csc(C)n2)c1 ZINC000262163786 601307808 /nfs/dbraw/zinc/30/78/08/601307808.db2.gz VOQLLRQVFXZVTA-UHFFFAOYSA-N -1 0 346.452 3.882 20 0 EHADRM Cn1cc(NC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)cc1C(=O)[O-] ZINC000833045822 601311445 /nfs/dbraw/zinc/31/14/45/601311445.db2.gz PJDIGLHTMPFTTL-IRXDYDNUSA-N -1 0 334.375 3.619 20 0 EHADRM Cc1c(C(=O)Nc2cc(C(=O)[O-])n(C)c2)oc2c1c(C)ccc2C ZINC000832925572 601314639 /nfs/dbraw/zinc/31/46/39/601314639.db2.gz PPSHKYSYZPAAST-UHFFFAOYSA-N -1 0 326.352 3.647 20 0 EHADRM CC(C)c1ccc([C@H]2C[C@H]2C(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1 ZINC000827117701 601316353 /nfs/dbraw/zinc/31/63/53/601316353.db2.gz HQKFMRKFTHYPPL-HZPDHXFCSA-N -1 0 326.396 3.589 20 0 EHADRM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000828149936 601335538 /nfs/dbraw/zinc/33/55/38/601335538.db2.gz OGNDMCGVZFFMKZ-KDOFPFPSSA-N -1 0 338.407 3.724 20 0 EHADRM COc1ccc(OC)c(NC(=S)Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC000832436081 601339200 /nfs/dbraw/zinc/33/92/00/601339200.db2.gz RFYXTBSDLBLFNJ-UHFFFAOYSA-N -1 0 346.408 3.519 20 0 EHADRM Cc1nc(=O)[nH]c(S[C@@H]2CCCCc3ccccc32)c1C(=O)[O-] ZINC000832843547 601345129 /nfs/dbraw/zinc/34/51/29/601345129.db2.gz XKSMAAUIFWVXMM-CYBMUJFWSA-N -1 0 330.409 3.749 20 0 EHADRM CN(Cc1ncc(-c2cccc(F)c2)o1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000830879263 601354529 /nfs/dbraw/zinc/35/45/29/601354529.db2.gz AXMBHUVVQYPZMK-GOSISDBHSA-N -1 0 340.354 3.738 20 0 EHADRM Cc1ccc(C)c(Cc2nc(COc3cccc(C(=O)[O-])c3)no2)c1 ZINC000832926251 601366354 /nfs/dbraw/zinc/36/63/54/601366354.db2.gz QLMWLFBKAZCYEE-UHFFFAOYSA-N -1 0 338.363 3.554 20 0 EHADRM CC(C)N(C(=O)COc1ccccc1NC(=O)[O-])c1ccccc1 ZINC000826925029 601368387 /nfs/dbraw/zinc/36/83/87/601368387.db2.gz WVLSQHOWWXPDGJ-UHFFFAOYSA-N -1 0 328.368 3.597 20 0 EHADRM C[C@@H]1CCC[C@@H](C)C1NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000828232639 601381134 /nfs/dbraw/zinc/38/11/34/601381134.db2.gz IGPHZELVDHNCRQ-RKDXNWHRSA-N -1 0 326.343 3.609 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1c(F)cccc1N1CCCC1 ZINC000830375321 601391029 /nfs/dbraw/zinc/39/10/29/601391029.db2.gz MRINOCOECKPWLP-UHFFFAOYSA-N -1 0 332.375 3.892 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1ccc(-n2cc(C)cn2)c(F)c1 ZINC000830379297 601391048 /nfs/dbraw/zinc/39/10/48/601391048.db2.gz QMDIFVCKWBDEDU-UHFFFAOYSA-N -1 0 343.358 3.786 20 0 EHADRM C[C@@H](C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])c1ccc(Cl)s1 ZINC000190733314 601396736 /nfs/dbraw/zinc/39/67/36/601396736.db2.gz VSJHXXGUVYCEOC-ZWNOBZJWSA-N -1 0 349.839 3.543 20 0 EHADRM Cc1cc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])ccc1C(=O)[O-] ZINC000391551211 601400737 /nfs/dbraw/zinc/40/07/37/601400737.db2.gz SXLYYYHBVSSYEG-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM C[C@H](C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21)c1ccc(Cl)s1 ZINC000192952701 601404262 /nfs/dbraw/zinc/40/42/62/601404262.db2.gz QIPXZQSPCOMGGI-GXSJLCMTSA-N -1 0 335.812 3.720 20 0 EHADRM C/C(=C/COC(=O)Cc1sc(C)nc1-c1ccc(C)cc1)C(=O)[O-] ZINC000825769418 601404884 /nfs/dbraw/zinc/40/48/84/601404884.db2.gz PQBPQCOGSQLPGB-WQLSENKSSA-N -1 0 345.420 3.544 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000576710461 601414437 /nfs/dbraw/zinc/41/44/37/601414437.db2.gz JUWSYUMCXASACO-ACJLOTCBSA-N -1 0 329.396 3.502 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN1CCO[C@H](c2ccccc2Cl)C1 ZINC000577958112 601416325 /nfs/dbraw/zinc/41/63/25/601416325.db2.gz UTEGMYRQRYPRIO-KRWDZBQOSA-N -1 0 349.814 3.767 20 0 EHADRM CC(C)CC(C)(C)CNC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000826759900 601417683 /nfs/dbraw/zinc/41/76/83/601417683.db2.gz UYEVTMAGLBOXNN-UHFFFAOYSA-N -1 0 335.448 3.691 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000829718718 601424539 /nfs/dbraw/zinc/42/45/39/601424539.db2.gz OXOYBTKQHOKMFN-UHFFFAOYSA-N -1 0 344.864 3.578 20 0 EHADRM C/C(=C\COC(=O)c1ccccc1OCc1cccs1)C(=O)[O-] ZINC000825781648 601424896 /nfs/dbraw/zinc/42/48/96/601424896.db2.gz XMOFZVZJLBFZRX-XYOKQWHBSA-N -1 0 332.377 3.515 20 0 EHADRM C/C(=C/COC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000825758863 601425768 /nfs/dbraw/zinc/42/57/68/601425768.db2.gz RLYXPOLBJOOMEO-ZJRUKIMVSA-N -1 0 330.302 3.773 20 0 EHADRM C[C@@H](C(=O)NC1(CC(=O)[O-])CCCCC1)c1ccc(Cl)s1 ZINC000575070072 601427621 /nfs/dbraw/zinc/42/76/21/601427621.db2.gz LMBGZDRJNYTACK-SNVBAGLBSA-N -1 0 329.849 3.799 20 0 EHADRM C[C@@H](C(=O)NC1(CC(=O)[O-])CCC1)c1c(Cl)cccc1Cl ZINC000666364118 601452455 /nfs/dbraw/zinc/45/24/55/601452455.db2.gz NGLVNWMCICSGFJ-SECBINFHSA-N -1 0 330.211 3.611 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)CCC(=O)c1ccc(C)cc1 ZINC000830384160 601457750 /nfs/dbraw/zinc/45/77/50/601457750.db2.gz JCQJKRVXQTWYNZ-UHFFFAOYSA-N -1 0 344.363 3.555 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000237113904 601458386 /nfs/dbraw/zinc/45/83/86/601458386.db2.gz VVIZEMKQGSXEBC-BJOHPYRUSA-N -1 0 348.226 3.520 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C ZINC000237023173 601471077 /nfs/dbraw/zinc/47/10/77/601471077.db2.gz HFTYXRUWJJYUJM-LIRRHRJNSA-N -1 0 335.444 3.645 20 0 EHADRM C[C@H](C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000262157396 601475968 /nfs/dbraw/zinc/47/59/68/601475968.db2.gz NRFNCGFDQONQRI-SJCJKPOMSA-N -1 0 343.810 3.654 20 0 EHADRM CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000830158319 601479556 /nfs/dbraw/zinc/47/95/56/601479556.db2.gz UCYSQVBDGWZJHT-KBPBESRZSA-N -1 0 337.445 3.962 20 0 EHADRM COc1cccc([C@H](C)CC(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000832528745 601484048 /nfs/dbraw/zinc/48/40/48/601484048.db2.gz PNSRAZHORLDQRU-XIKOKIGWSA-N -1 0 346.354 3.697 20 0 EHADRM Cc1ccc(CCCC(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])cc1 ZINC000262553624 601494850 /nfs/dbraw/zinc/49/48/50/601494850.db2.gz VRBCVOBKNGZLCO-HXUWFJFHSA-N -1 0 337.419 3.528 20 0 EHADRM CCC1CCC(NCc2ncc(-c3ccc(F)cc3)o2)(C(=O)[O-])CC1 ZINC000829107849 601495424 /nfs/dbraw/zinc/49/54/24/601495424.db2.gz QWKIFILDYWYQDP-UHFFFAOYSA-N -1 0 346.402 3.994 20 0 EHADRM CC(C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1)=C1CCCC1 ZINC000825991151 601499451 /nfs/dbraw/zinc/49/94/51/601499451.db2.gz WQHRIQSRBIUGSP-UHFFFAOYSA-N -1 0 338.407 3.641 20 0 EHADRM Cc1ccc(CNC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c(OC(C)(C)C)c1 ZINC000180131264 601504958 /nfs/dbraw/zinc/50/49/58/601504958.db2.gz SAEJJHAUBSICPF-GJZGRUSLSA-N -1 0 347.455 3.680 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(CC(F)F)c2cccc(Cl)c2)cc1 ZINC000833310489 601506990 /nfs/dbraw/zinc/50/69/90/601506990.db2.gz QDUOBURMQVJRGJ-UHFFFAOYSA-N -1 0 339.725 3.950 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)cc1F)C1CC1 ZINC000767076194 601524458 /nfs/dbraw/zinc/52/44/58/601524458.db2.gz WDNRWZYGFJZZCF-KRWDZBQOSA-N -1 0 345.345 3.615 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1sccc1-c1ccc(F)cc1)C1CC1 ZINC000833201138 601531218 /nfs/dbraw/zinc/53/12/18/601531218.db2.gz MFDSQDHSSHCICZ-AWEZNQCLSA-N -1 0 333.384 3.537 20 0 EHADRM Cc1cc(C(=O)N(CC(C)C)CC(C)C)cc(C)c1OCC(=O)[O-] ZINC000236652281 601533012 /nfs/dbraw/zinc/53/30/12/601533012.db2.gz HBSZLTQDIMFOGN-UHFFFAOYSA-N -1 0 335.444 3.521 20 0 EHADRM CC[C@H](C(=O)N(CC)CCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000237072367 601534850 /nfs/dbraw/zinc/53/48/50/601534850.db2.gz FKGVDJUTDPLQNP-ZDUSSCGKSA-N -1 0 331.334 3.522 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1Cc1cnc(Cl)s1 ZINC000833179371 601540521 /nfs/dbraw/zinc/54/05/21/601540521.db2.gz NFEYTYIMOFNCQX-YPMHNXCESA-N -1 0 328.865 3.652 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)/C=C\SCc2ccco2)cc1 ZINC000830507118 601558888 /nfs/dbraw/zinc/55/88/88/601558888.db2.gz DDMVCWQVFRUPAN-NTMALXAHSA-N -1 0 332.381 3.779 20 0 EHADRM C[C@H](CC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1)c1cccc(F)c1 ZINC000539567198 601583378 /nfs/dbraw/zinc/58/33/78/601583378.db2.gz DDFGVJHYFVFUPA-DIFFPNOSSA-N -1 0 349.789 3.915 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000540667257 601585822 /nfs/dbraw/zinc/58/58/22/601585822.db2.gz LKYGUDFJEZRIHL-ZBEGNZNMSA-N -1 0 349.789 3.600 20 0 EHADRM O=C([O-])[C@H](NC(=O)C[C@H]1CCc2ccccc21)c1ccc(Cl)cc1 ZINC000678982362 601585975 /nfs/dbraw/zinc/58/59/75/601585975.db2.gz ASUMHAMSSQWIQG-RDTXWAMCSA-N -1 0 343.810 3.702 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)N[C@@H](c2ccccc2F)C2CCCC2)C1 ZINC000263210640 601586110 /nfs/dbraw/zinc/58/61/10/601586110.db2.gz IRSSSJWPVQMYJO-RHSMWYFYSA-N -1 0 348.418 3.563 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1sc(Cl)nc1C)c1ccccc1 ZINC000828595243 601591786 /nfs/dbraw/zinc/59/17/86/601591786.db2.gz VCTRHERJTSQGLV-LLVKDONJSA-N -1 0 338.816 3.615 20 0 EHADRM CC[C@@H](C)c1ccc(C(=O)OCC(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000828763809 601605866 /nfs/dbraw/zinc/60/58/66/601605866.db2.gz DHDDWXYIZNCRCD-LLVKDONJSA-N -1 0 330.336 3.531 20 0 EHADRM CC[C@H](C)c1ccc(C(=O)OCC(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000828763810 601606006 /nfs/dbraw/zinc/60/60/06/601606006.db2.gz DHDDWXYIZNCRCD-NSHDSACASA-N -1 0 330.336 3.531 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000362714773 601614066 /nfs/dbraw/zinc/61/40/66/601614066.db2.gz XYUQPENKIQHTKI-UHFFFAOYSA-N -1 0 342.782 3.630 20 0 EHADRM Cc1cc(C)cc(NC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000832878239 601614364 /nfs/dbraw/zinc/61/43/64/601614364.db2.gz AFGJFZCCTPBZAY-YOEHRIQHSA-N -1 0 326.396 3.887 20 0 EHADRM CCOc1ccccc1NC(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000830109689 601615044 /nfs/dbraw/zinc/61/50/44/601615044.db2.gz JHVSHRLOPVGUBG-SUMWQHHRSA-N -1 0 342.395 3.669 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1cc(Cl)nc2ccccc21 ZINC000326251417 601615873 /nfs/dbraw/zinc/61/58/73/601615873.db2.gz BQBIGJUQWPRKOF-UHFFFAOYSA-N -1 0 340.766 3.768 20 0 EHADRM CC(=O)Nc1cccc2c1CCCN2Cc1cc(C(=O)[O-])sc1C ZINC000825917739 601620946 /nfs/dbraw/zinc/62/09/46/601620946.db2.gz UEJRPYCJHKZZGV-UHFFFAOYSA-N -1 0 344.436 3.666 20 0 EHADRM Cc1cc(Sc2ccccc2)ccc1NC(=O)NC[C@H](C)C(=O)[O-] ZINC000832905028 601621339 /nfs/dbraw/zinc/62/13/39/601621339.db2.gz NJOXKSUZQQAAHQ-ZDUSSCGKSA-N -1 0 344.436 3.988 20 0 EHADRM Cc1nc(C2(NCc3ccc(C(=O)[O-])c(F)c3)CCCCCC2)no1 ZINC000832995826 601622287 /nfs/dbraw/zinc/62/22/87/601622287.db2.gz LREJZDPOEBRRHP-UHFFFAOYSA-N -1 0 347.390 3.555 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCCC[C@H]2c2ccc(F)cc2)C1 ZINC000647167629 601623618 /nfs/dbraw/zinc/62/36/18/601623618.db2.gz MWCSMLQBBMJAHL-INMHGKMJSA-N -1 0 333.403 3.770 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CN1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000833032477 601625780 /nfs/dbraw/zinc/62/57/80/601625780.db2.gz HDCYNMZXDXKCFU-GFCCVEGCSA-N -1 0 335.429 3.598 20 0 EHADRM C[C@@H](CNC(=O)Nc1cccc(CSC2CCCC2)c1)C(=O)[O-] ZINC000593957091 601626141 /nfs/dbraw/zinc/62/61/41/601626141.db2.gz XFWQPAWHQMJHMF-LBPRGKRZSA-N -1 0 336.457 3.705 20 0 EHADRM O=C([O-])[C@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000136537601 601628920 /nfs/dbraw/zinc/62/89/20/601628920.db2.gz PXVDGCDDAGBXHW-MGPQQGTHSA-N -1 0 342.222 3.563 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)CCCc2ccc(F)c(F)c2)c1 ZINC000238099098 601644687 /nfs/dbraw/zinc/64/46/87/601644687.db2.gz LECHQUQRZGNTMX-UHFFFAOYSA-N -1 0 337.297 3.764 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)[C@H]2C[C@H]2Cc2ccccc2)c1 ZINC000833317627 601650754 /nfs/dbraw/zinc/65/07/54/601650754.db2.gz ZGIPMDRHTYNAJL-KGLIPLIRSA-N -1 0 329.783 3.856 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NCc1coc(-c2ccccc2)n1)c1ccccc1 ZINC000426714054 601652062 /nfs/dbraw/zinc/65/20/62/601652062.db2.gz BLADMSXWUUNNGZ-KBXCAEBGSA-N -1 0 336.391 3.893 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CCCc1ccc(F)c(F)c1 ZINC000237021573 601658873 /nfs/dbraw/zinc/65/88/73/601658873.db2.gz MGDKYCWDXTUZPV-UHFFFAOYSA-N -1 0 347.361 3.644 20 0 EHADRM CCC1(C(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)CCCC1 ZINC000236666072 601664235 /nfs/dbraw/zinc/66/42/35/601664235.db2.gz IRMYNKMNNTTYNU-UHFFFAOYSA-N -1 0 340.423 3.721 20 0 EHADRM CC(C)c1ccc(NC(=O)Cc2c[nH]c3ncccc23)c(C(=O)[O-])c1 ZINC000827124152 601669446 /nfs/dbraw/zinc/66/94/46/601669446.db2.gz JULLCZUVPMTHJK-UHFFFAOYSA-N -1 0 337.379 3.566 20 0 EHADRM O=C([O-])c1ccc(CSc2nc3cc(Cl)cnc3[nH]2)cc1F ZINC000833316891 601669596 /nfs/dbraw/zinc/66/95/96/601669596.db2.gz LDQJLRPMXNSYRS-UHFFFAOYSA-N -1 0 337.763 3.741 20 0 EHADRM CCCCC[C@H](NC(=O)c1c(Cl)c2ccccc2n1C)C(=O)[O-] ZINC000236676508 601673142 /nfs/dbraw/zinc/67/31/42/601673142.db2.gz UTKBABKMAYEDEI-LBPRGKRZSA-N -1 0 336.819 3.595 20 0 EHADRM CC[C@H](C)c1ccc(C(=O)N(CC(=O)[O-])c2cccc(C)n2)cc1 ZINC000828764968 601678247 /nfs/dbraw/zinc/67/82/47/601678247.db2.gz RPKJNVKGUYZDDT-ZDUSSCGKSA-N -1 0 326.396 3.635 20 0 EHADRM O=C([O-])[C@H]1CC12CCN(c1nc(-c3ccc(F)cc3)cs1)CC2 ZINC000517377882 601679570 /nfs/dbraw/zinc/67/95/70/601679570.db2.gz XEIOEUMZHVNAPH-CYBMUJFWSA-N -1 0 332.400 3.640 20 0 EHADRM C[C@H](CSc1ccc(F)cc1)C(=O)Oc1ccccc1CC(=O)[O-] ZINC000827582080 601679901 /nfs/dbraw/zinc/67/99/01/601679901.db2.gz XJXXKWNTVNUWPR-GFCCVEGCSA-N -1 0 348.395 3.787 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)N(CCC(F)(F)F)CC2CC2)c1 ZINC000833288780 601696837 /nfs/dbraw/zinc/69/68/37/601696837.db2.gz MJNCZRWOTXSSPK-UHFFFAOYSA-N -1 0 345.321 3.973 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2ccc(C(F)(F)F)cc2)cc1F ZINC000833352627 601704445 /nfs/dbraw/zinc/70/44/45/601704445.db2.gz HSACTDMXBUXFAF-UHFFFAOYSA-N -1 0 342.244 3.900 20 0 EHADRM CCC[C@H]1C[C@H]1NC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000829255494 601718804 /nfs/dbraw/zinc/71/88/04/601718804.db2.gz ITFSYCOELZEJSV-DZGCQCFKSA-N -1 0 336.457 3.705 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1ccc(Cl)nc1Cl ZINC000833032804 601726369 /nfs/dbraw/zinc/72/63/69/601726369.db2.gz JEYBTQCSEGMSII-UHFFFAOYSA-N -1 0 346.191 3.814 20 0 EHADRM Cc1cccc(CC2CN(C(=O)Nc3ccc(C)c(C(=O)[O-])c3)C2)c1 ZINC000832968795 601731464 /nfs/dbraw/zinc/73/14/64/601731464.db2.gz FUSCOCPATKRKBA-UHFFFAOYSA-N -1 0 338.407 3.708 20 0 EHADRM O=C([O-])CCCc1csc(NC(=O)C[C@H]2CCc3ccccc32)n1 ZINC000833229090 601743314 /nfs/dbraw/zinc/74/33/14/601743314.db2.gz RJBJJFVZQBKCNR-CYBMUJFWSA-N -1 0 344.436 3.609 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)Nc2nc(CCCC(=O)[O-])cs2)C1(C)C ZINC000826647284 601746776 /nfs/dbraw/zinc/74/67/76/601746776.db2.gz CAWPBJWMTNVDQT-TZMCWYRMSA-N -1 0 336.457 3.727 20 0 EHADRM CC[C@H](NC(=O)c1cc(-c2cccs2)nc2ccccc21)C(=O)[O-] ZINC000761686834 601750278 /nfs/dbraw/zinc/75/02/78/601750278.db2.gz DRPWLCPZYTWRRF-ZDUSSCGKSA-N -1 0 340.404 3.556 20 0 EHADRM O=C([O-])[C@H](NC(=O)Cc1csc2ccccc12)C1CCCCC1 ZINC000833119309 601751148 /nfs/dbraw/zinc/75/11/48/601751148.db2.gz JOTCUYJYFGJBJX-QGZVFWFLSA-N -1 0 331.437 3.594 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc2c(c1)oc1ccccc12)C(=O)[O-] ZINC000826590281 601752542 /nfs/dbraw/zinc/75/25/42/601752542.db2.gz HFOGZNUJOJMECN-UHFFFAOYSA-N -1 0 326.352 3.818 20 0 EHADRM CN(C)C(=O)Sc1cccc(CNc2cccc(C(=O)[O-])c2)c1 ZINC000830569573 601787376 /nfs/dbraw/zinc/78/73/76/601787376.db2.gz PKJFYANYCZIVIM-UHFFFAOYSA-N -1 0 330.409 3.771 20 0 EHADRM CN(C(=O)Nc1ccc(CNC(=O)[O-])cc1)C1CCC(C)(C)CC1 ZINC000830499802 601794356 /nfs/dbraw/zinc/79/43/56/601794356.db2.gz DCMWZZCUPYQAER-UHFFFAOYSA-N -1 0 333.432 3.887 20 0 EHADRM COc1ccc(F)c(NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)c1 ZINC000832373794 601798438 /nfs/dbraw/zinc/79/84/38/601798438.db2.gz JFLLAPUBPHZNLE-UHFFFAOYSA-N -1 0 347.346 3.588 20 0 EHADRM COc1cccc([C@H](C)CC(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000128667788 601799819 /nfs/dbraw/zinc/79/98/19/601799819.db2.gz GQBCROBFPYEERG-CYBMUJFWSA-N -1 0 327.380 3.834 20 0 EHADRM COc1cccc([C@H](C)CC(=O)Nc2cccc(NC(=O)[O-])c2)c1 ZINC000832529319 601802037 /nfs/dbraw/zinc/80/20/37/601802037.db2.gz YYLRMFVVUFJMPI-GFCCVEGCSA-N -1 0 328.368 3.917 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2cc3cccc(Cl)c3o2)c2ccccc21 ZINC000833192683 601803428 /nfs/dbraw/zinc/80/34/28/601803428.db2.gz NWXWPKWZRQWQMB-LBPRGKRZSA-N -1 0 341.750 3.915 20 0 EHADRM COCCn1c(SCc2ccsc2C(=O)[O-])nc2ccccc21 ZINC000831800871 601804584 /nfs/dbraw/zinc/80/45/84/601804584.db2.gz STXHNQNSARDIHF-UHFFFAOYSA-N -1 0 348.449 3.735 20 0 EHADRM CC[C@@H](CNC(=O)c1cccc(NC(=O)[O-])c1)Oc1cccc(F)c1 ZINC000828884266 601806186 /nfs/dbraw/zinc/80/61/86/601806186.db2.gz RXZXYACLHAJKFK-HNNXBMFYSA-N -1 0 346.358 3.503 20 0 EHADRM COc1ccccc1CC(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000832602526 601807323 /nfs/dbraw/zinc/80/73/23/601807323.db2.gz SMRBJHRSCAHJCI-UHFFFAOYSA-N -1 0 331.393 3.514 20 0 EHADRM COc1cc(CC(=O)Nc2scc(C3CC3)c2C(=O)[O-])ccc1C ZINC000831983133 601809096 /nfs/dbraw/zinc/80/90/96/601809096.db2.gz LXIBHYJHAFTXBR-UHFFFAOYSA-N -1 0 345.420 3.822 20 0 EHADRM CC(=O)c1csc(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])c1 ZINC000737552792 601809581 /nfs/dbraw/zinc/80/95/81/601809581.db2.gz BPLKLJHADOFXOW-UHFFFAOYSA-N -1 0 335.406 3.840 20 0 EHADRM COC(=O)c1ccc(CSCc2cc(C(=O)[O-])c(C)o2)cc1F ZINC000831385322 601812856 /nfs/dbraw/zinc/81/28/56/601812856.db2.gz QPJJQXJFVSXSCR-UHFFFAOYSA-N -1 0 338.356 3.645 20 0 EHADRM O=C([O-])CCN(C(=O)c1cc(F)cc(Cl)c1)c1cccc(F)c1 ZINC000833231691 601816710 /nfs/dbraw/zinc/81/67/10/601816710.db2.gz AFUMMWHQGABZCC-UHFFFAOYSA-N -1 0 339.725 3.740 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)CSc2ccccc2Cl)CC1 ZINC000314831779 601820656 /nfs/dbraw/zinc/82/06/56/601820656.db2.gz AFIVOFKNYBXEFD-UHFFFAOYSA-N -1 0 341.860 3.536 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)CCc2ccc3ccccc3c2)CC1 ZINC000537483479 601821411 /nfs/dbraw/zinc/82/14/11/601821411.db2.gz SVUZVIFNIVOFNX-UHFFFAOYSA-N -1 0 339.435 3.876 20 0 EHADRM CC[C@@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccc(C)cc1 ZINC000659392459 601822846 /nfs/dbraw/zinc/82/28/46/601822846.db2.gz FLJRLMWPTOXNAI-QGZVFWFLSA-N -1 0 332.444 3.733 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)C(C)C ZINC000659396663 601827332 /nfs/dbraw/zinc/82/73/32/601827332.db2.gz CHZQATLQGYSMEX-LJQANCHMSA-N -1 0 346.471 3.979 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)C1CC1 ZINC000659398973 601827422 /nfs/dbraw/zinc/82/74/22/601827422.db2.gz WJRWYTGQHZHSPV-IBGZPJMESA-N -1 0 344.455 3.733 20 0 EHADRM O=C([O-])C1(NC(=O)c2cncc(-c3ccccc3)c2)CCCCCC1 ZINC000833129198 601847611 /nfs/dbraw/zinc/84/76/11/601847611.db2.gz WHJXEKXZEBXEQC-UHFFFAOYSA-N -1 0 338.407 3.656 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)C2(Cc3ccccc3)CCC2)cc1 ZINC000262518892 601848763 /nfs/dbraw/zinc/84/87/63/601848763.db2.gz DFYXEFMOPIWRHU-UHFFFAOYSA-N -1 0 339.391 3.502 20 0 EHADRM Cc1ccc(-c2cncc(C(=O)N(CCC(=O)[O-])CC(C)C)c2)cc1 ZINC000832907358 601849240 /nfs/dbraw/zinc/84/92/40/601849240.db2.gz SKZUCCNNSYRLBM-UHFFFAOYSA-N -1 0 340.423 3.630 20 0 EHADRM C[C@@H](NC(=O)NCc1cccc(C(=O)[O-])c1)c1ccc(Cl)s1 ZINC000315014940 601849760 /nfs/dbraw/zinc/84/97/60/601849760.db2.gz SSPGHESZKDBQCG-SECBINFHSA-N -1 0 338.816 3.660 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)c(Cl)cc1F ZINC000237754315 601856304 /nfs/dbraw/zinc/85/63/04/601856304.db2.gz LRYIGAMCJOCHIS-LBPRGKRZSA-N -1 0 341.791 3.795 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C2(Cc3ccccc3)CCC2)c2ccccc21 ZINC000833192514 601863435 /nfs/dbraw/zinc/86/34/35/601863435.db2.gz ZUNCMPSBIGVMBD-QGZVFWFLSA-N -1 0 335.403 3.614 20 0 EHADRM C[C@H](Nc1nc(Cl)c(C(=O)[O-])s1)c1ccccc1-n1cccn1 ZINC000827773220 601863677 /nfs/dbraw/zinc/86/36/77/601863677.db2.gz DKRUSIMIEDJHBV-VIFPVBQESA-N -1 0 348.815 3.854 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)[C@H](CCC)NC(=O)[O-] ZINC000739364694 601872472 /nfs/dbraw/zinc/87/24/72/601872472.db2.gz PDGQZWKGKRRKSM-NSHDSACASA-N -1 0 328.796 3.504 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)/C=C/c2cccc(F)c2)cc1 ZINC000833263867 601874227 /nfs/dbraw/zinc/87/42/27/601874227.db2.gz SXPJBUXCWGCNNQ-RUDMXATFSA-N -1 0 332.352 3.621 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@H]1COc2c1cccc2Cl ZINC000832915711 601887210 /nfs/dbraw/zinc/88/72/10/601887210.db2.gz NKVVKKBNIDDVPM-AWEZNQCLSA-N -1 0 346.770 3.602 20 0 EHADRM CC(C)OCc1ccc(C(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])cc1 ZINC000262053396 601908914 /nfs/dbraw/zinc/90/89/14/601908914.db2.gz CDUWULVUYDWANL-ROUUACIJSA-N -1 0 347.455 3.765 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)c1nc(Cl)ccc1Cl ZINC000833130658 601915745 /nfs/dbraw/zinc/91/57/45/601915745.db2.gz UKFXTYGNPALCII-GXSJLCMTSA-N -1 0 345.226 3.542 20 0 EHADRM Cc1c2ccccc2oc1C(=O)N[C@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000262208608 601916366 /nfs/dbraw/zinc/91/63/66/601916366.db2.gz VQPVTRZWJCENFY-GJZGRUSLSA-N -1 0 329.396 3.895 20 0 EHADRM Cc1nc(C2CCCC2)sc1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000237616660 601927606 /nfs/dbraw/zinc/92/76/06/601927606.db2.gz DXSPTBAGQIXOSW-UHFFFAOYSA-N -1 0 344.436 3.737 20 0 EHADRM Cc1ccc(Br)c(C(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000161386972 601950799 /nfs/dbraw/zinc/95/07/99/601950799.db2.gz HUFPSQSBHBFONK-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM Cc1cc2oc(=O)cc(CNc3cccc(CC(=O)[O-])c3)c2cc1C ZINC000738249115 601967172 /nfs/dbraw/zinc/96/71/72/601967172.db2.gz PGHYHPDOJVCEIH-UHFFFAOYSA-N -1 0 337.375 3.649 20 0 EHADRM Cc1cc(F)c(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1F ZINC000832887359 601983398 /nfs/dbraw/zinc/98/33/98/601983398.db2.gz SGDMXIOICJUJHZ-CQSZACIVSA-N -1 0 340.709 3.909 20 0 EHADRM Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2ccc(NC(=O)[O-])nc2)c1 ZINC000740131199 601992428 /nfs/dbraw/zinc/99/24/28/601992428.db2.gz BJTTWCJUZRZYFS-JTQLQIEISA-N -1 0 349.774 3.539 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)Cc2c(Cl)cccc2Cl)cn1 ZINC000740709505 601996265 /nfs/dbraw/zinc/99/62/65/601996265.db2.gz ILQODPSSCOMNIB-UHFFFAOYSA-N -1 0 340.166 3.660 20 0 EHADRM Cc1ccc(C)c(OCCC(=O)OCc2ccc(C(=O)[O-])s2)c1 ZINC000832926551 601998194 /nfs/dbraw/zinc/99/81/94/601998194.db2.gz SDSMBRBYYZFDIG-UHFFFAOYSA-N -1 0 334.393 3.575 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(NC(=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000736917620 601998335 /nfs/dbraw/zinc/99/83/35/601998335.db2.gz UDURMPSBRNTOQL-CYBMUJFWSA-N -1 0 338.367 3.534 20 0 EHADRM C[C@@H]1CC[C@H](CC(=O)N(C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)C1 ZINC000828221160 601999969 /nfs/dbraw/zinc/99/99/69/601999969.db2.gz IQNWYNCTEPRUIR-KCWFYHRYSA-N -1 0 343.345 3.514 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000833314847 602004626 /nfs/dbraw/zinc/00/46/26/602004626.db2.gz KSKYFWPUSZGIOM-BDAKNGLRSA-N -1 0 336.331 3.858 20 0 EHADRM COc1ccc(CCCC(=O)OCc2ccc(C(=O)[O-])s2)cc1 ZINC000832299365 602006815 /nfs/dbraw/zinc/00/68/15/602006815.db2.gz BDQNMHSAIUVISK-UHFFFAOYSA-N -1 0 334.393 3.521 20 0 EHADRM Cc1cccc2c(CCC(=O)OCc3ccc(C(=O)[O-])s3)c[nH]c21 ZINC000832976469 602011286 /nfs/dbraw/zinc/01/12/86/602011286.db2.gz WTCUHOIJDCCQGL-UHFFFAOYSA-N -1 0 343.404 3.912 20 0 EHADRM C[C@H](NC(=O)[O-])[C@H]1CCCCN1C(=O)c1csc2ccccc12 ZINC000738998257 602015977 /nfs/dbraw/zinc/01/59/77/602015977.db2.gz CYTJDKLRIUHUEY-SMDDNHRTSA-N -1 0 332.425 3.552 20 0 EHADRM CSc1ccccc1NC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000832789613 602025740 /nfs/dbraw/zinc/02/57/40/602025740.db2.gz AZEQOVZRRBCNAS-CHWSQXEVSA-N -1 0 336.457 3.954 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)C1 ZINC000262158864 602031189 /nfs/dbraw/zinc/03/11/89/602031189.db2.gz NAQUDFFDRRTUON-IBGZPJMESA-N -1 0 345.345 3.569 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cn1 ZINC000740708509 602037123 /nfs/dbraw/zinc/03/71/23/602037123.db2.gz UBQKSOFYTSMPBT-UHFFFAOYSA-N -1 0 325.368 3.622 20 0 EHADRM COc1ccc(NC(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])c(C)c1 ZINC000832404372 602037446 /nfs/dbraw/zinc/03/74/46/602037446.db2.gz WMYNDNQTHGATPV-HOCLYGCPSA-N -1 0 334.416 3.549 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)Nc1cccc2[nH]ccc21 ZINC000833159947 602038039 /nfs/dbraw/zinc/03/80/39/602038039.db2.gz NRAPMIDDUPTSTH-BBRMVZONSA-N -1 0 329.400 3.713 20 0 EHADRM CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000830149140 602038945 /nfs/dbraw/zinc/03/89/45/602038945.db2.gz DRZYDQYGGHJUKG-NWDGAFQWSA-N -1 0 340.420 3.662 20 0 EHADRM O=C([O-])c1ccc(OCc2cnc(Cl)s2)c(Br)c1 ZINC000833324152 602052794 /nfs/dbraw/zinc/05/27/94/602052794.db2.gz ZQCQTAFFBUFCTF-UHFFFAOYSA-N -1 0 348.605 3.836 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)Nc2cccc(CC(=O)[O-])c2)ccc1Cl ZINC000532873875 602068764 /nfs/dbraw/zinc/06/87/64/602068764.db2.gz SWYLWCFBPCWARV-GFCCVEGCSA-N -1 0 347.798 3.682 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000261911652 602068936 /nfs/dbraw/zinc/06/89/36/602068936.db2.gz QHGHRAIDDYDBPH-RYUDHWBXSA-N -1 0 329.318 3.621 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2ccc(-c3ccccc3F)o2)c1 ZINC000532689921 602069073 /nfs/dbraw/zinc/06/90/73/602069073.db2.gz DAEDLGFCGAVAMF-UHFFFAOYSA-N -1 0 339.322 3.965 20 0 EHADRM CCOc1ccc(Oc2ccc(NC(=O)[C@H](C)CC(=O)[O-])cc2)cc1 ZINC000830088862 602070046 /nfs/dbraw/zinc/07/00/46/602070046.db2.gz NOZRGLFFRFISCG-CYBMUJFWSA-N -1 0 343.379 3.927 20 0 EHADRM CC(C)[C@@H](NC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccccc1Cl ZINC000263200153 602070190 /nfs/dbraw/zinc/07/01/90/602070190.db2.gz HJPHFSGVGAMDCS-PBHICJAKSA-N -1 0 338.835 3.543 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)CO2 ZINC000832962669 602093365 /nfs/dbraw/zinc/09/33/65/602093365.db2.gz ZTWOTMIGMQFREI-AWEZNQCLSA-N -1 0 346.770 3.602 20 0 EHADRM CCO[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(NC(=O)[O-])c2)C12CCC2 ZINC000829917044 602094584 /nfs/dbraw/zinc/09/45/84/602094584.db2.gz AFQLKXLJIMAGQS-LSDHHAIUSA-N -1 0 347.415 3.588 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)Nc1ccc(-c2csc(C)n2)cc1 ZINC000739227375 602109372 /nfs/dbraw/zinc/10/93/72/602109372.db2.gz BZLVPDBQLPVPGG-BMIGLBTASA-N -1 0 347.440 3.739 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)COC/C=C/c2ccccc2)c1 ZINC000833112854 602110401 /nfs/dbraw/zinc/11/04/01/602110401.db2.gz QFLKFDJKSXBCKP-QPJJXVBHSA-N -1 0 345.782 3.707 20 0 EHADRM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1ccc2sccc2c1 ZINC000346012618 602112659 /nfs/dbraw/zinc/11/26/59/602112659.db2.gz GOYAHTLPNNERBE-INIZCTEOSA-N -1 0 337.400 3.553 20 0 EHADRM CCC(=O)c1ccc(C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)cc1 ZINC000828573809 602122904 /nfs/dbraw/zinc/12/29/04/602122904.db2.gz CCJDEKVVOGFCSY-UHFFFAOYSA-N -1 0 326.352 3.646 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000263357813 602140279 /nfs/dbraw/zinc/14/02/79/602140279.db2.gz XOSQASZQGVEYNF-MSOLQXFVSA-N -1 0 347.455 3.837 20 0 EHADRM Cc1noc(NC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)c1C ZINC000833022285 602142790 /nfs/dbraw/zinc/14/27/90/602142790.db2.gz DRVDMUHMUQTVLP-UHFFFAOYSA-N -1 0 343.261 3.652 20 0 EHADRM CSc1cc(C(=O)N(C)C[C@H](C)C(=O)[O-])c(Cl)cc1Cl ZINC000237425780 602158831 /nfs/dbraw/zinc/15/88/31/602158831.db2.gz ODLFCMXPRYUWFX-ZETCQYMHSA-N -1 0 336.240 3.508 20 0 EHADRM C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000828527756 602163797 /nfs/dbraw/zinc/16/37/97/602163797.db2.gz OHTHYLPXFOUTKI-SNVBAGLBSA-N -1 0 346.333 3.814 20 0 EHADRM COc1cc(OC)cc([C@H](Nc2ccc3scnc3c2)C(=O)[O-])c1 ZINC000832065192 602170376 /nfs/dbraw/zinc/17/03/76/602170376.db2.gz IBZWJAJPATXRNQ-INIZCTEOSA-N -1 0 344.392 3.551 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)c2cc3c(cccc3F)[nH]2)c1 ZINC000739918388 602171738 /nfs/dbraw/zinc/17/17/38/602171738.db2.gz SQUQWOLADSGAOK-UHFFFAOYSA-N -1 0 343.314 3.658 20 0 EHADRM CCN(c1ccccc1)c1ccc(CNC(=O)[C@@H](C)CC(=O)[O-])cc1 ZINC000829740489 602174238 /nfs/dbraw/zinc/17/42/38/602174238.db2.gz MJLIJSBIUACIHD-HNNXBMFYSA-N -1 0 340.423 3.572 20 0 EHADRM Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccccc1NC(=O)[O-] ZINC000740213884 602176403 /nfs/dbraw/zinc/17/64/03/602176403.db2.gz CIUMLXLVPPLSGQ-UHFFFAOYSA-N -1 0 339.273 3.751 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000191373546 602182143 /nfs/dbraw/zinc/18/21/43/602182143.db2.gz PEMVSVNUDWZJKD-NSHDSACASA-N -1 0 333.409 3.662 20 0 EHADRM COc1ccc(C(C)(C)C(=O)Nc2cccc(NC(=O)[O-])c2)cc1 ZINC000832216653 602190398 /nfs/dbraw/zinc/19/03/98/602190398.db2.gz FYXPAKHCMZEOAC-UHFFFAOYSA-N -1 0 328.368 3.701 20 0 EHADRM CSc1cc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)c(Cl)cc1Cl ZINC000237296801 602196260 /nfs/dbraw/zinc/19/62/60/602196260.db2.gz ZTBTWOAOKUWZQQ-AWEZNQCLSA-N -1 0 348.251 3.652 20 0 EHADRM CCCC1(CNC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CCC1 ZINC000391733331 602199354 /nfs/dbraw/zinc/19/93/54/602199354.db2.gz FQBZZALYWMDRJF-UHFFFAOYSA-N -1 0 326.343 3.755 20 0 EHADRM Cc1ccccc1OCCCC(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000740192630 602200480 /nfs/dbraw/zinc/20/04/80/602200480.db2.gz AVDUVSZXDZPIBZ-UHFFFAOYSA-N -1 0 342.395 3.560 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)c2cc3ccccc3s2)c1 ZINC000740681052 602202199 /nfs/dbraw/zinc/20/21/99/602202199.db2.gz ZROANFFDFHEEMD-UHFFFAOYSA-N -1 0 326.377 3.921 20 0 EHADRM Cc1ccc(CNC(=O)[C@H](C)CC(=O)[O-])c(Oc2ccccc2)c1 ZINC000832932464 602202991 /nfs/dbraw/zinc/20/29/91/602202991.db2.gz LNOZMDTWTDUMJI-CQSZACIVSA-N -1 0 327.380 3.514 20 0 EHADRM Cc1nc2ccccc2cc1C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000740231537 602203791 /nfs/dbraw/zinc/20/37/91/602203791.db2.gz LPCCHCNULRZRDA-UHFFFAOYSA-N -1 0 335.363 3.563 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)OCc1csc(C2CCCC2)n1 ZINC000739232056 602212325 /nfs/dbraw/zinc/21/23/25/602212325.db2.gz KIAKKQSDOZNKMK-GWCFXTLKSA-N -1 0 340.445 3.526 20 0 EHADRM CCC[C@H]1C[C@@H]1NC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000829257443 602227545 /nfs/dbraw/zinc/22/75/45/602227545.db2.gz ZGTYROURNGULSE-LRDDRELGSA-N -1 0 342.395 3.613 20 0 EHADRM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)NCC(C)(C)C(=O)[O-] ZINC000832891324 602230885 /nfs/dbraw/zinc/23/08/85/602230885.db2.gz QSTBCHFSUFVYOQ-AWEZNQCLSA-N -1 0 347.459 3.606 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)Nc1cccc(F)c1)c1ccccc1 ZINC000826103939 602233920 /nfs/dbraw/zinc/23/39/20/602233920.db2.gz YKDPTUUYMOWFAL-OAHLLOKOSA-N -1 0 330.359 3.799 20 0 EHADRM Cc1ccc(NC(=S)Nc2ccc3c(c2)CCN3C(=O)[O-])cc1 ZINC000740139579 602235494 /nfs/dbraw/zinc/23/54/94/602235494.db2.gz SDYDYZHFJRUKPV-UHFFFAOYSA-N -1 0 327.409 3.844 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)ccc21 ZINC000740471727 602240554 /nfs/dbraw/zinc/24/05/54/602240554.db2.gz IQRAQWHCXMQPNH-HOTGVXAUSA-N -1 0 340.354 3.608 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)c3ccc4ncsc4c3)ccc21 ZINC000740470224 602243171 /nfs/dbraw/zinc/24/31/71/602243171.db2.gz MLZQMUSWAKNMDJ-UHFFFAOYSA-N -1 0 339.376 3.589 20 0 EHADRM CC[C@H](NC(=O)[O-])C(=O)Nc1ccc(N[C@H](C)c2ccccc2)cc1 ZINC000739534116 602249524 /nfs/dbraw/zinc/24/95/24/602249524.db2.gz HQSHISVNPZGHPS-DYVFJYSZSA-N -1 0 341.411 3.844 20 0 EHADRM Cc1cc(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])c(C)n1C(C)C ZINC000740059441 602252297 /nfs/dbraw/zinc/25/22/97/602252297.db2.gz SYASWUQPFVTWGR-UHFFFAOYSA-N -1 0 341.411 3.979 20 0 EHADRM CC(C)CC1CCN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC000826840380 602274554 /nfs/dbraw/zinc/27/45/54/602274554.db2.gz MPNMRQYAUSXDRI-UHFFFAOYSA-N -1 0 340.370 3.953 20 0 EHADRM C[C@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739100492 602277544 /nfs/dbraw/zinc/27/75/44/602277544.db2.gz QSKXVOUIQSBFDF-SWLSCSKDSA-N -1 0 331.416 3.770 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)N[C@@H]3CCCc4occc43)ccc21 ZINC000740468634 602279454 /nfs/dbraw/zinc/27/94/54/602279454.db2.gz ANBIJBKWKFYOLP-CQSZACIVSA-N -1 0 341.367 3.519 20 0 EHADRM O=C([O-])c1csc(NC(=O)NCCc2ccc(F)cc2Cl)c1 ZINC000833145448 602290069 /nfs/dbraw/zinc/29/00/69/602290069.db2.gz HAAXFZDTJNUYKK-UHFFFAOYSA-N -1 0 342.779 3.603 20 0 EHADRM CC(C)(CNC(=O)c1cccc(NC(=O)[O-])c1)c1ccc(F)cc1 ZINC000736324527 602294436 /nfs/dbraw/zinc/29/44/36/602294436.db2.gz PPOCEMMJWRTETD-UHFFFAOYSA-N -1 0 330.359 3.623 20 0 EHADRM CCC(CC)CC(=O)N[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000431436578 602308811 /nfs/dbraw/zinc/30/88/11/602308811.db2.gz UTAVTHQNCRSIQP-AWEZNQCLSA-N -1 0 342.233 3.517 20 0 EHADRM Cc1ccc(CC(=O)N[C@@H](CC(=O)[O-])c2cccs2)c(Cl)c1 ZINC000832930597 602310909 /nfs/dbraw/zinc/31/09/09/602310909.db2.gz XWJQLVOOLCWRAK-ZDUSSCGKSA-N -1 0 337.828 3.585 20 0 EHADRM C[C@H]1CC[C@@H](CC(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)C1 ZINC000828221508 602312563 /nfs/dbraw/zinc/31/25/63/602312563.db2.gz QWQPSUZFDZPHIO-QWHCGFSZSA-N -1 0 339.382 3.594 20 0 EHADRM CC(C)C[C@H]1CCCN(C(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000826832078 602325200 /nfs/dbraw/zinc/32/52/00/602325200.db2.gz LCKDSZGZCSBPNZ-MRXNPFEDSA-N -1 0 347.459 3.787 20 0 EHADRM C[C@H](NC(=O)[C@@H](NC(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC000739019539 602340999 /nfs/dbraw/zinc/34/09/99/602340999.db2.gz ZRTISVCHAOMRFV-NHYWBVRUSA-N -1 0 332.787 3.526 20 0 EHADRM Cc1ccc(CC(=O)Nc2ccc(OCCC(=O)[O-])cc2)c(Cl)c1 ZINC000832928197 602348757 /nfs/dbraw/zinc/34/87/57/602348757.db2.gz ATDVKCPSCDQERS-UHFFFAOYSA-N -1 0 347.798 3.683 20 0 EHADRM Cc1cc(C(=O)N(CCC(=O)[O-])c2cccc(F)c2)ccc1Cl ZINC000832860272 602348929 /nfs/dbraw/zinc/34/89/29/602348929.db2.gz MKGBWECBYYUCSX-UHFFFAOYSA-N -1 0 335.762 3.909 20 0 EHADRM CCC[C@H](NC(=O)[O-])C(=O)Nc1ccccc1Oc1ccccc1 ZINC000739324867 602353673 /nfs/dbraw/zinc/35/36/73/602353673.db2.gz FVAHEHMCZCHOSM-HNNXBMFYSA-N -1 0 328.368 3.854 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)cc1F ZINC000767206573 602355037 /nfs/dbraw/zinc/35/50/37/602355037.db2.gz TZHWWNXRWSASKW-ZIAGYGMSSA-N -1 0 333.746 3.920 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc3ccc(Cl)cc3n2)cc1F ZINC000761745780 602356995 /nfs/dbraw/zinc/35/69/95/602356995.db2.gz LMEWXYLVHDSGPB-UHFFFAOYSA-N -1 0 344.729 3.978 20 0 EHADRM CSc1ccc(Cl)c(C(=O)NCCCN(C(=O)[O-])C(C)C)c1 ZINC000740016748 602357541 /nfs/dbraw/zinc/35/75/41/602357541.db2.gz VCEHDUQDDOLQGY-UHFFFAOYSA-N -1 0 344.864 3.570 20 0 EHADRM C[C@H]1CCN(C(=O)C2CCC(NC(=O)[O-])CC2)c2ccccc2S1 ZINC000739111637 602367103 /nfs/dbraw/zinc/36/71/03/602367103.db2.gz CVXWYWBUUOMRAP-HSBZDZAISA-N -1 0 348.468 3.730 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000828182925 602374445 /nfs/dbraw/zinc/37/44/45/602374445.db2.gz AKLHGCUUGRGRNW-JSGCOSHPSA-N -1 0 342.370 3.934 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccc(F)cc1 ZINC000827487275 602384203 /nfs/dbraw/zinc/38/42/03/602384203.db2.gz ZOCMKXGCTUQARW-SNVBAGLBSA-N -1 0 334.322 3.588 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@@H]2CCCc3ccccc32)cc1F ZINC000325858364 602385271 /nfs/dbraw/zinc/38/52/71/602385271.db2.gz CUZWMCCSXZVJGM-MRXNPFEDSA-N -1 0 328.343 3.723 20 0 EHADRM Cc1cc(-c2ccccc2)ccc1NC(=O)[C@H]1CSCN1C(=O)[O-] ZINC000740048827 602387156 /nfs/dbraw/zinc/38/71/56/602387156.db2.gz NZFJFXGDGIMKFP-MRXNPFEDSA-N -1 0 342.420 3.653 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000776646280 602394160 /nfs/dbraw/zinc/39/41/60/602394160.db2.gz IQDDCDQEWNCKBK-OAHLLOKOSA-N -1 0 331.343 3.628 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CSc2ccc3c(c2)CCC3)cc1F ZINC000326151209 602395331 /nfs/dbraw/zinc/39/53/31/602395331.db2.gz WZUYBQSUVSRMNU-UHFFFAOYSA-N -1 0 345.395 3.743 20 0 EHADRM Cc1ccc(-c2ocnc2C(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000767201544 602395752 /nfs/dbraw/zinc/39/57/52/602395752.db2.gz RVWBJRWJQMXQBK-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM CC(C)c1ccc(CCC(=O)N2CCC([C@@H](C)NC(=O)[O-])CC2)cc1 ZINC000738882591 602408271 /nfs/dbraw/zinc/40/82/71/602408271.db2.gz LWHIKDOWABWZDM-OAHLLOKOSA-N -1 0 346.471 3.637 20 0 EHADRM O=C([O-])NCCCNC(=O)Nc1ccccc1SC1CCCC1 ZINC000740653814 602410498 /nfs/dbraw/zinc/41/04/98/602410498.db2.gz MVWOGRYPAPJAFJ-UHFFFAOYSA-N -1 0 337.445 3.501 20 0 EHADRM COc1ccc(O[C@H](C)c2nc([C@H](CC(C)C)NC(=O)[O-])no2)cc1 ZINC000739933723 602411225 /nfs/dbraw/zinc/41/12/25/602411225.db2.gz ZSRJPZOPHUUTLM-RISCZKNCSA-N -1 0 349.387 3.573 20 0 EHADRM Cc1cc(SC(C)(C)C)ccc1NC(=O)NCCCNC(=O)[O-] ZINC000740095288 602412605 /nfs/dbraw/zinc/41/26/05/602412605.db2.gz ZJNJIWNKHXQDID-UHFFFAOYSA-N -1 0 339.461 3.665 20 0 EHADRM CC(C)(C)c1nc(-c2nc(C3(NC(=O)[O-])CCCC3)no2)cs1 ZINC000738727897 602414044 /nfs/dbraw/zinc/41/40/44/602414044.db2.gz KXQRCXLPOGHCJD-UHFFFAOYSA-N -1 0 336.417 3.528 20 0 EHADRM O=C([O-])NC1(c2noc(CCc3ccc4ccccc4c3)n2)CCC1 ZINC000740550079 602418858 /nfs/dbraw/zinc/41/88/58/602418858.db2.gz NTMZKPJFHCBFFI-UHFFFAOYSA-N -1 0 337.379 3.655 20 0 EHADRM C[C@@H]1CCCC[C@@H]1NC(=S)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739099154 602430939 /nfs/dbraw/zinc/43/09/39/602430939.db2.gz LMBAGUNXAZDOCS-DOMZBBRYSA-N -1 0 347.484 3.982 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccccc1Cl ZINC000738992110 602451613 /nfs/dbraw/zinc/45/16/13/602451613.db2.gz YDRGTKGLAQAEHR-LLVKDONJSA-N -1 0 347.802 3.990 20 0 EHADRM CN(Cc1ccccc1Cl)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739709042 602451643 /nfs/dbraw/zinc/45/16/43/602451643.db2.gz CPAVRWYEMLIOJW-UHFFFAOYSA-N -1 0 347.802 3.772 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)Nc1cccc2ncccc21)c1ccccc1 ZINC000740539287 602454684 /nfs/dbraw/zinc/45/46/84/602454684.db2.gz HZCMNVCVRAFNPW-MRXNPFEDSA-N -1 0 349.390 3.962 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)Nc1ccc2ccccc2n1)c1ccccc1 ZINC000740540748 602460307 /nfs/dbraw/zinc/46/03/07/602460307.db2.gz UUXHFUCEDUUJIJ-KRWDZBQOSA-N -1 0 349.390 3.962 20 0 EHADRM CSc1ccsc1C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000740019781 602461083 /nfs/dbraw/zinc/46/10/83/602461083.db2.gz GNKRNUOGJIWOIR-UHFFFAOYSA-N -1 0 336.438 3.832 20 0 EHADRM CC(C)c1cccc(NC(=O)N2CCC([C@@H](C)NC(=O)[O-])CC2)c1 ZINC000738876328 602465027 /nfs/dbraw/zinc/46/50/27/602465027.db2.gz JMZFEPQKNUPOIA-CYBMUJFWSA-N -1 0 333.432 3.710 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(F)c(NC(=O)[O-])c1)c1ccc(OC)cc1 ZINC000739273561 602481608 /nfs/dbraw/zinc/48/16/08/602481608.db2.gz UMALMZBZFRQDNU-OAHLLOKOSA-N -1 0 346.358 3.805 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2cccc3cccnc32)ccc1F ZINC000740699679 602482182 /nfs/dbraw/zinc/48/21/82/602482182.db2.gz UAFFLVTYZJEMET-UHFFFAOYSA-N -1 0 325.299 3.716 20 0 EHADRM Cc1ccc(SCCNC(=O)c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000740152255 602482580 /nfs/dbraw/zinc/48/25/80/602482580.db2.gz ISIYXCWIEVESGO-UHFFFAOYSA-N -1 0 348.399 3.746 20 0 EHADRM O=C([O-])Nc1cc(C(=O)NCc2ccc(Cl)s2)ccc1F ZINC000740696294 602484305 /nfs/dbraw/zinc/48/43/05/602484305.db2.gz QJTYMABYLUPFRK-UHFFFAOYSA-N -1 0 328.752 3.561 20 0 EHADRM CC(C)c1noc2ncc(C(=O)Nc3ccc(NC(=O)[O-])cc3)cc21 ZINC000738884340 602501033 /nfs/dbraw/zinc/50/10/33/602501033.db2.gz HAESTTWPFDVPQA-UHFFFAOYSA-N -1 0 340.339 3.688 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)cc1 ZINC000740712080 602503292 /nfs/dbraw/zinc/50/32/92/602503292.db2.gz LFDZYXNLWVDUTB-UHFFFAOYSA-N -1 0 349.346 3.796 20 0 EHADRM CCc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])s1 ZINC000739545021 602506790 /nfs/dbraw/zinc/50/67/90/602506790.db2.gz OBBXWMSQMSTVEK-UHFFFAOYSA-N -1 0 330.409 3.993 20 0 EHADRM Cc1csc(NC(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])n1 ZINC000740210465 602554351 /nfs/dbraw/zinc/55/43/51/602554351.db2.gz WJYYVJXZRZALBM-UHFFFAOYSA-N -1 0 332.385 3.526 20 0 EHADRM COc1cc(NC(=O)N[C@H](C)c2ccccc2)ccc1NC(=O)[O-] ZINC000739870556 602559807 /nfs/dbraw/zinc/55/98/07/602559807.db2.gz MVSIDYLJCWXECV-LLVKDONJSA-N -1 0 329.356 3.668 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N2CCCc3sccc3C2)cc1 ZINC000738665465 602560307 /nfs/dbraw/zinc/56/03/07/602560307.db2.gz MXOODPQDDNVTNJ-UHFFFAOYSA-N -1 0 331.397 3.818 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])c1ccccc1 ZINC000738985842 602560385 /nfs/dbraw/zinc/56/03/85/602560385.db2.gz FMTAAQPAMPZMRW-GFCCVEGCSA-N -1 0 325.368 3.610 20 0 EHADRM O=C([O-])NC[C@H]1CCCN(C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000740623221 602580397 /nfs/dbraw/zinc/58/03/97/602580397.db2.gz GYRCTASKBPLQSJ-SECBINFHSA-N -1 0 346.214 3.505 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)c(F)c1 ZINC000740142258 602580984 /nfs/dbraw/zinc/58/09/84/602580984.db2.gz VQEYDEXHFONYSK-CZUORRHYSA-N -1 0 349.406 3.520 20 0 EHADRM Cc1cccc(C)c1NC(=O)N[C@H](CNC(=O)[O-])C1CCCCC1 ZINC000740166791 602597488 /nfs/dbraw/zinc/59/74/88/602597488.db2.gz OLTFJSUKSWOFSE-OAHLLOKOSA-N -1 0 333.432 3.641 20 0 EHADRM C[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739205809 602602077 /nfs/dbraw/zinc/60/20/77/602602077.db2.gz HEAVHFOPYLXHMX-SNVBAGLBSA-N -1 0 331.397 3.989 20 0 EHADRM Cc1ccc2c(c1C)OC[C@H]2NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738297850 602603345 /nfs/dbraw/zinc/60/33/45/602603345.db2.gz PSLOQFAOBATAIA-OAHLLOKOSA-N -1 0 341.367 3.649 20 0 EHADRM CN(Cc1ccsc1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739719925 602606926 /nfs/dbraw/zinc/60/69/26/602606926.db2.gz ZKPCILRATLWRRH-UHFFFAOYSA-N -1 0 345.424 3.843 20 0 EHADRM CC(C)c1ccc([C@H](C)NC(=O)N2CC[C@H](CN(C)C(=O)[O-])C2)cc1 ZINC000738875406 602609906 /nfs/dbraw/zinc/60/99/06/602609906.db2.gz GKOGLSLMZJALIV-LSDHHAIUSA-N -1 0 347.459 3.512 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)c1csc(-c2ccoc2)n1 ZINC000740716571 602626108 /nfs/dbraw/zinc/62/61/08/602626108.db2.gz WBXLJFJGIADHHM-UHFFFAOYSA-N -1 0 329.337 3.745 20 0 EHADRM CC(C)N(C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1)C1CCCC1 ZINC000738836227 602642511 /nfs/dbraw/zinc/64/25/11/602642511.db2.gz VYTRDOCBWLVTFP-QGZVFWFLSA-N -1 0 332.444 3.955 20 0 EHADRM O=C([O-])N1CCCC[C@@H]1CNc1nc(C(F)F)nc2ccccc21 ZINC000740515505 602679203 /nfs/dbraw/zinc/67/92/03/602679203.db2.gz GWSZCQFRMVYKEF-SNVBAGLBSA-N -1 0 336.342 3.512 20 0 EHADRM Cc1ccc(F)c2c1N(C(=O)c1ccc(NC(=O)[O-])cc1)CCC2 ZINC000738279121 602685003 /nfs/dbraw/zinc/68/50/03/602685003.db2.gz DFVQFXANZJZZMC-UHFFFAOYSA-N -1 0 328.343 3.817 20 0 EHADRM O=C([O-])NC1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2F)CC1 ZINC000740557490 602692813 /nfs/dbraw/zinc/69/28/13/602692813.db2.gz MNFIUCJMCSGSTE-UHFFFAOYSA-N -1 0 348.296 3.609 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000740714623 602696062 /nfs/dbraw/zinc/69/60/62/602696062.db2.gz VNBNCXAPFNTGTP-WDEREUQCSA-N -1 0 332.306 3.797 20 0 EHADRM CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000738757766 602732208 /nfs/dbraw/zinc/73/22/08/602732208.db2.gz OKFLEDUBWCTUPK-UHFFFAOYSA-N -1 0 349.774 3.621 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)Nc1ccccc1CN(CC)C(=O)[O-] ZINC000739278279 602749975 /nfs/dbraw/zinc/74/99/75/602749975.db2.gz MVWZSXVZPBLBFS-QGZVFWFLSA-N -1 0 348.443 3.863 20 0 EHADRM CCN(Cc1ccccc1NC(=O)CO[C@@H]1CCCC[C@H]1C)C(=O)[O-] ZINC000739443940 602750089 /nfs/dbraw/zinc/75/00/89/602750089.db2.gz LHSBZSIKSZQHEL-RHSMWYFYSA-N -1 0 348.443 3.720 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000738952217 602796901 /nfs/dbraw/zinc/79/69/01/602796901.db2.gz VZNOBWGGFPSDJF-ZDUSSCGKSA-N -1 0 344.386 3.753 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000738952216 602797013 /nfs/dbraw/zinc/79/70/13/602797013.db2.gz VZNOBWGGFPSDJF-CYBMUJFWSA-N -1 0 344.386 3.753 20 0 EHADRM CC(C)(CCC(=O)Nc1ccc(-c2ccccc2)cn1)NC(=O)[O-] ZINC000738739656 602802522 /nfs/dbraw/zinc/80/25/22/602802522.db2.gz CMNBQNBJMMRTKZ-UHFFFAOYSA-N -1 0 327.384 3.514 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N2CCC[C@@H](CN(C)C(=O)[O-])C2)cc1 ZINC000739545093 602825713 /nfs/dbraw/zinc/82/57/13/602825713.db2.gz QACQQUAAGDYRIM-WBVHZDCISA-N -1 0 346.471 3.591 20 0 EHADRM CC[C@H](CC(=O)N1CCC[C@H](CN(C)C(=O)[O-])C1)c1ccc(C)cc1 ZINC000739249704 602825972 /nfs/dbraw/zinc/82/59/72/602825972.db2.gz OJWDGUIRRQTUFX-IAGOWNOFSA-N -1 0 346.471 3.727 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N2CCC[C@@H](CNC(=O)[O-])C2)cc1 ZINC000738879916 602826320 /nfs/dbraw/zinc/82/63/20/602826320.db2.gz YAENMVPZXDDZNA-CVEARBPZSA-N -1 0 346.471 3.810 20 0 EHADRM CC[C@H](CC(=O)N1CCC(CN(C)C(=O)[O-])CC1)c1ccc(C)cc1 ZINC000739249976 602831823 /nfs/dbraw/zinc/83/18/23/602831823.db2.gz QBCRVRXROJNNFV-QGZVFWFLSA-N -1 0 346.471 3.727 20 0 EHADRM CCN(Cc1cccc(NC(=O)c2ccc(OC)cc2C)c1)C(=O)[O-] ZINC000739445129 602843131 /nfs/dbraw/zinc/84/31/31/602843131.db2.gz DOMCXYUVKMEDRG-UHFFFAOYSA-N -1 0 342.395 3.756 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCCC3(CCCCC3)C2)c(O)c1 ZINC000740699909 602864776 /nfs/dbraw/zinc/86/47/76/602864776.db2.gz LYNPSEREXJZOME-UHFFFAOYSA-N -1 0 332.400 3.669 20 0 EHADRM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(C)c(NC(=O)[O-])c2)s1 ZINC000830715501 602879242 /nfs/dbraw/zinc/87/92/42/602879242.db2.gz FOEDNJDDAJLFLJ-LLVKDONJSA-N -1 0 347.440 3.991 20 0 EHADRM COc1ccccc1[C@H](NC(=O)[O-])C(=O)Nc1ccc(C)cc1Cl ZINC000739967684 602882600 /nfs/dbraw/zinc/88/26/00/602882600.db2.gz IZGJVBUDXFJGKJ-HNNXBMFYSA-N -1 0 348.786 3.604 20 0 EHADRM C[C@@H](CC(=O)Nc1nc(-c2cc3ccccc3o2)cs1)NC(=O)[O-] ZINC000824711238 602892852 /nfs/dbraw/zinc/89/28/52/602892852.db2.gz SDCFYFPSYJWKEF-VIFPVBQESA-N -1 0 345.380 3.541 20 0 EHADRM Cc1cc(C)c(-c2csc(NC(=O)C[C@@H](C)NC(=O)[O-])n2)c(C)c1 ZINC000829987325 602893752 /nfs/dbraw/zinc/89/37/52/602893752.db2.gz XOOGTFAOSJHAFA-GFCCVEGCSA-N -1 0 347.440 3.720 20 0 EHADRM C[C@@H](OC(=O)c1ccc(NC(=O)[O-])cc1Cl)C(=O)c1ccccc1 ZINC000739044693 602904590 /nfs/dbraw/zinc/90/45/90/602904590.db2.gz ZDKMSEGRWLECRE-SNVBAGLBSA-N -1 0 347.754 3.858 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)OCC(=O)C2CCCCC2)c(Cl)c1 ZINC000740701007 602906251 /nfs/dbraw/zinc/90/62/51/602906251.db2.gz GMNFJKXFNJBIGN-UHFFFAOYSA-N -1 0 339.775 3.736 20 0 EHADRM Cc1ccc(C(=O)N(C)[C@H]2CCc3ccccc3C2)cc1NC(=O)[O-] ZINC000830182169 602938943 /nfs/dbraw/zinc/93/89/43/602938943.db2.gz SXBQAMHSKQHPOC-KRWDZBQOSA-N -1 0 338.407 3.714 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccccc2C(C)(C)C)C[C@H](C)N1C(=O)[O-] ZINC000739145048 602938966 /nfs/dbraw/zinc/93/89/66/602938966.db2.gz KRGLJSVRFGMHEN-BETUJISGSA-N -1 0 333.432 3.589 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)COc2cccc3ccccc32)cc1 ZINC000738670400 602967402 /nfs/dbraw/zinc/96/74/02/602967402.db2.gz RDWILQYSZHXQRZ-UHFFFAOYSA-N -1 0 337.331 3.914 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)c2ccc(C)c(NC(=O)[O-])c2)s1 ZINC000830288329 602971983 /nfs/dbraw/zinc/97/19/83/602971983.db2.gz JOOFIBBMPCHYDL-LLVKDONJSA-N -1 0 332.425 3.816 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000740568110 602975342 /nfs/dbraw/zinc/97/53/42/602975342.db2.gz ISVSGRRVDSYIBH-VXGBXAGGSA-N -1 0 345.424 3.549 20 0 EHADRM CCc1ocnc1C(=O)Nc1cc(C(F)(F)F)ccc1NC(=O)[O-] ZINC000739560921 602984274 /nfs/dbraw/zinc/98/42/74/602984274.db2.gz WBGVAIPBXMJAOW-UHFFFAOYSA-N -1 0 343.261 3.598 20 0 EHADRM C[C@H](OC(=O)c1cccn1C1CCN(C(=O)[O-])CC1)c1cccs1 ZINC000739043119 602996413 /nfs/dbraw/zinc/99/64/13/602996413.db2.gz MSSGYRWHESGQSE-LBPRGKRZSA-N -1 0 348.424 3.783 20 0 EHADRM Cc1cnc(CNC(=O)c2cc3ccccc3cc2NC(=O)[O-])s1 ZINC000740195629 602998361 /nfs/dbraw/zinc/99/83/61/602998361.db2.gz GHNROKGDEXKEPP-UHFFFAOYSA-N -1 0 341.392 3.625 20 0 EHADRM CC(C)C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccccc1 ZINC000738804716 602999221 /nfs/dbraw/zinc/99/92/21/602999221.db2.gz JOURQMHXYOCVMV-HQSKLWIPSA-N -1 0 344.455 3.606 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2ccncc2F)c(C(F)(F)F)c1 ZINC000740712182 603002453 /nfs/dbraw/zinc/00/24/53/603002453.db2.gz WVSHWIYHIQTRGL-UHFFFAOYSA-N -1 0 343.236 3.582 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)C[C@@H]2CCOc3ccccc32)c1 ZINC000740704776 603007439 /nfs/dbraw/zinc/00/74/39/603007439.db2.gz DZRSUPUQGLBRHU-NSHDSACASA-N -1 0 344.342 3.811 20 0 EHADRM Cc1[nH]c2ccc(-c3nc([C@H](C)CN(C)C(=O)[O-])no3)cc2c1C ZINC000740033292 603008987 /nfs/dbraw/zinc/00/89/87/603008987.db2.gz GKHHIVIUEDKLIB-SECBINFHSA-N -1 0 328.372 3.548 20 0 EHADRM Cc1ccc(C(=O)NC[C@@H](C)Oc2ccccc2C)cc1NC(=O)[O-] ZINC000830211258 603014174 /nfs/dbraw/zinc/01/41/74/603014174.db2.gz LCYOFTCSPZFQHW-CQSZACIVSA-N -1 0 342.395 3.591 20 0 EHADRM Cc1ccc(O[C@@H](C)CNC(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1 ZINC000830399592 603014435 /nfs/dbraw/zinc/01/44/35/603014435.db2.gz CBCGWLUKHQQZPX-AWEZNQCLSA-N -1 0 342.395 3.591 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc([C@@H](C)Oc2cccc(Cl)c2)n1 ZINC000738908111 603014799 /nfs/dbraw/zinc/01/47/99/603014799.db2.gz NAQPBHFQLYEETK-NXEZZACHSA-N -1 0 339.779 3.576 20 0 EHADRM CCCn1cc(NC(=O)c2cc3ccccc3cc2NC(=O)[O-])cn1 ZINC000826964367 603018319 /nfs/dbraw/zinc/01/83/19/603018319.db2.gz HTFVXDMXCZARBB-UHFFFAOYSA-N -1 0 338.367 3.789 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000740572761 603018377 /nfs/dbraw/zinc/01/83/77/603018377.db2.gz RRQUVPBOSBCBRL-DLBZAZTESA-N -1 0 339.395 3.805 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)[C@@H]3CCC[C@@H]3NC(=O)[O-])ccc2o1 ZINC000738728027 603020055 /nfs/dbraw/zinc/02/00/55/603020055.db2.gz NQBMIRCMSOYFDO-NEPJUHHUSA-N -1 0 345.399 3.500 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc(/C=C\c2ccc(Cl)s2)n1 ZINC000738911724 603020566 /nfs/dbraw/zinc/02/05/66/603020566.db2.gz WZTKGOISLXKIES-RZAAKKIOSA-N -1 0 327.793 3.668 20 0 EHADRM C[C@@H](c1cccnc1)N(C)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739058181 603032548 /nfs/dbraw/zinc/03/25/48/603032548.db2.gz GMATUKYBIBRNMD-JTQLQIEISA-N -1 0 332.335 3.536 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)cc1 ZINC000827899223 603047783 /nfs/dbraw/zinc/04/77/83/603047783.db2.gz CSXOBZLSNVMTGW-QWHCGFSZSA-N -1 0 347.317 3.788 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(C[C@H]2CCOc3ccccc32)n1 ZINC000738818200 603053026 /nfs/dbraw/zinc/05/30/26/603053026.db2.gz WUZMFMMDIQAIGQ-OCCSQVGLSA-N -1 0 345.399 3.533 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(C[C@@H]2CCOc3ccccc32)n1 ZINC000738818198 603053253 /nfs/dbraw/zinc/05/32/53/603053253.db2.gz WUZMFMMDIQAIGQ-GXTWGEPZSA-N -1 0 345.399 3.533 20 0 EHADRM O=C([O-])NC1CCC(NC(=O)CCCCCc2cccs2)CC1 ZINC000740555875 603068500 /nfs/dbraw/zinc/06/85/00/603068500.db2.gz CVZHNWKOPOFEBM-UHFFFAOYSA-N -1 0 338.473 3.546 20 0 EHADRM C[C@H](NC(=O)[C@@H](CNC(=O)[O-])c1ccccc1)c1ccc(Cl)cc1 ZINC000738952679 603079550 /nfs/dbraw/zinc/07/95/50/603079550.db2.gz OQEUKUWKPIGMKQ-LRDDRELGSA-N -1 0 346.814 3.569 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739439796 603154791 /nfs/dbraw/zinc/15/47/91/603154791.db2.gz OCTZXILZEIZFSY-GHMZBOCLSA-N -1 0 344.864 3.576 20 0 EHADRM C[C@H]1CCc2ccccc2N1C(=O)COc1ccc(NC(=O)[O-])cc1 ZINC000737753429 603156621 /nfs/dbraw/zinc/15/66/21/603156621.db2.gz IIPOYYVOKXBSMJ-ZDUSSCGKSA-N -1 0 340.379 3.523 20 0 EHADRM C[C@@H](c1ccc(F)cc1)N(C)C(=O)COc1ccc(NC(=O)[O-])cc1 ZINC000737720681 603156628 /nfs/dbraw/zinc/15/66/28/603156628.db2.gz IRSYTMRSOMVMHN-LBPRGKRZSA-N -1 0 346.358 3.514 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)COc1ccc(NC(=O)[O-])cc1 ZINC000738281070 603156666 /nfs/dbraw/zinc/15/66/66/603156666.db2.gz OLLOEVMEJAVTJZ-UHFFFAOYSA-N -1 0 334.759 3.756 20 0 EHADRM Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(NC(=O)[O-])cc2)c(C)c1 ZINC000830358350 603157297 /nfs/dbraw/zinc/15/72/97/603157297.db2.gz MCKTUHWCUDBHMJ-CYBMUJFWSA-N -1 0 328.368 3.799 20 0 EHADRM Cc1ccc(F)cc1NC(=O)[C@H](C)Oc1ccc(NC(=O)[O-])cc1 ZINC000830333408 603157322 /nfs/dbraw/zinc/15/73/22/603157322.db2.gz WAYPNEZTFSIUQS-NSHDSACASA-N -1 0 332.331 3.630 20 0 EHADRM CCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739439574 603166123 /nfs/dbraw/zinc/16/61/23/603166123.db2.gz MCKFJHROOWXGSR-ZFWWWQNUSA-N -1 0 338.835 3.515 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)CO[C@@H]2CCC[C@@H](C)C2)cc1 ZINC000825887380 603173592 /nfs/dbraw/zinc/17/35/92/603173592.db2.gz KZXVKYPOWFIBRL-XJKCOSOUSA-N -1 0 334.416 3.549 20 0 EHADRM CCCOc1cc(C)ccc1NC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739361579 603175636 /nfs/dbraw/zinc/17/56/36/603175636.db2.gz PXSNSUCMSKNKSS-ZIAGYGMSSA-N -1 0 334.416 3.549 20 0 EHADRM Cc1cc(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)nn1C(C)(C)C ZINC000829966019 603177885 /nfs/dbraw/zinc/17/78/85/603177885.db2.gz PBAQUANAPXQPOL-LBPRGKRZSA-N -1 0 344.415 3.527 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)CCc2ccccc2F)cc1 ZINC000825416381 603184670 /nfs/dbraw/zinc/18/46/70/603184670.db2.gz KCWOVRJAQASORT-GFCCVEGCSA-N -1 0 330.359 3.726 20 0 EHADRM Cc1ccccc1C[C@H]1CCCN1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000738325868 603185220 /nfs/dbraw/zinc/18/52/20/603185220.db2.gz VGWDROIWFIUYMP-GOSISDBHSA-N -1 0 338.407 3.932 20 0 EHADRM CCOc1cc(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)ccc1C ZINC000827413377 603190173 /nfs/dbraw/zinc/19/01/73/603190173.db2.gz IVJULAYCTATINI-CYBMUJFWSA-N -1 0 342.395 3.975 20 0 EHADRM CCn1c(C)cc(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)c1C ZINC000827687279 603191866 /nfs/dbraw/zinc/19/18/66/603191866.db2.gz CRWKWQWPCJFPEL-GFCCVEGCSA-N -1 0 329.400 3.706 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)Nc2ccc(-c3ccccc3)cn2)C1 ZINC000740568467 603195273 /nfs/dbraw/zinc/19/52/73/603195273.db2.gz FSVWWNLPQYVBIP-ZBFHGGJFSA-N -1 0 339.395 3.514 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)[C@H](C)Oc2ccccc2F)cc1 ZINC000825619545 603195618 /nfs/dbraw/zinc/19/56/18/603195618.db2.gz ZZBKDPKEHSVZIS-RYUDHWBXSA-N -1 0 346.358 3.560 20 0 EHADRM COc1ccccc1CN(C)C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739974552 603204278 /nfs/dbraw/zinc/20/42/78/603204278.db2.gz IJZZEWODOMPHOF-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)N2CCCCC[C@@H]2c2ccco2)C1 ZINC000740560715 603211202 /nfs/dbraw/zinc/21/12/02/603211202.db2.gz AWNUSJLEQVRDCB-RRFJBIMHSA-N -1 0 334.416 3.550 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)Nc1cccc(F)c1 ZINC000829187750 603211961 /nfs/dbraw/zinc/21/19/61/603211961.db2.gz LMVLOMUICOOYSY-UHFFFAOYSA-N -1 0 338.722 3.830 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@H]2C[C@@H]2Cc2ccccc2)c(Cl)c1 ZINC000740698385 603225443 /nfs/dbraw/zinc/22/54/43/603225443.db2.gz KBHKNTWZRSQGHY-LRDDRELGSA-N -1 0 344.798 3.791 20 0 EHADRM C[C@@H](CNC(=O)c1ccc(F)c(NC(=O)[O-])c1)Cc1cccs1 ZINC000738939026 603228872 /nfs/dbraw/zinc/22/88/72/603228872.db2.gz KDXWJGNKACGNCE-SNVBAGLBSA-N -1 0 336.388 3.586 20 0 EHADRM CCN(Cc1cccs1)C(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000827192958 603242128 /nfs/dbraw/zinc/24/21/28/603242128.db2.gz FOBNSDVDSACCHZ-XJKSGUPXSA-N -1 0 346.452 3.742 20 0 EHADRM Cc1ccc(C(=O)NCCCOC2CCCCC2)cc1NC(=O)[O-] ZINC000830215810 603248138 /nfs/dbraw/zinc/24/81/38/603248138.db2.gz CEROEGSEFQUAIS-UHFFFAOYSA-N -1 0 334.416 3.554 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NC2(c3cccc(F)c3)CC2)c(Cl)c1 ZINC000740696790 603254607 /nfs/dbraw/zinc/25/46/07/603254607.db2.gz ATPPFVRCOKEAFK-UHFFFAOYSA-N -1 0 348.761 3.988 20 0 EHADRM Cc1ccc(NC(=O)[C@@H](C)[C@H](NC(=O)[O-])c2ccccc2)c(F)c1 ZINC000830352862 603256152 /nfs/dbraw/zinc/25/61/52/603256152.db2.gz KUSXNUNRIMXAOY-LRDDRELGSA-N -1 0 330.359 3.718 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2ccccc2OCC2CC2)ccc1F ZINC000740698097 603262422 /nfs/dbraw/zinc/26/24/22/603262422.db2.gz LRVUEAVSDIOARN-UHFFFAOYSA-N -1 0 344.342 3.957 20 0 EHADRM Cc1ccc(C(=O)Nc2ccccc2N2CCCC2)cc1NC(=O)[O-] ZINC000830234226 603284657 /nfs/dbraw/zinc/28/46/57/603284657.db2.gz OTAXUMWANRBVQN-UHFFFAOYSA-N -1 0 339.395 3.937 20 0 EHADRM O=C([O-])N(CC(=O)Nc1ccccc1-c1cccs1)CC1CC1 ZINC000831468697 603285229 /nfs/dbraw/zinc/28/52/29/603285229.db2.gz NWCPSPXSYKABGN-UHFFFAOYSA-N -1 0 330.409 3.744 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccn2)c(Cl)c1 ZINC000740700148 603287332 /nfs/dbraw/zinc/28/73/32/603287332.db2.gz QXVTXTIVZNXTBM-OAHLLOKOSA-N -1 0 345.786 3.802 20 0 EHADRM CC(C)CCN(C(=O)Nc1cccc2c1CCN(C(=O)[O-])C2)C1CC1 ZINC000738817507 603291263 /nfs/dbraw/zinc/29/12/63/603291263.db2.gz AJUUVUOLLOSSEU-UHFFFAOYSA-N -1 0 345.443 3.765 20 0 EHADRM CC(C)C[C@@H]1CCCN1C(=O)Nc1cccc2c1CCN(C(=O)[O-])C2 ZINC000738825516 603293132 /nfs/dbraw/zinc/29/31/32/603293132.db2.gz XDDMQQVRFZDIGT-HNNXBMFYSA-N -1 0 345.443 3.765 20 0 EHADRM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736759352 603294039 /nfs/dbraw/zinc/29/40/39/603294039.db2.gz IRSBITNPBPAEAO-IUODEOHRSA-N -1 0 342.370 3.934 20 0 EHADRM C[C@@H](CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl)NC(=O)[O-] ZINC000824551563 603295526 /nfs/dbraw/zinc/29/55/26/603295526.db2.gz LJPRMRYLVOOXSG-IUCAKERBSA-N -1 0 333.215 3.559 20 0 EHADRM O=C([O-])N1CCC[C@H]1CC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000832004961 603296737 /nfs/dbraw/zinc/29/67/37/603296737.db2.gz HXRDMJGBIWCJDB-GJZGRUSLSA-N -1 0 336.819 3.536 20 0 EHADRM Cc1cc(CNC(=O)[O-])ccc1N(C(=O)C1CCCCC1)C1CC1 ZINC000740076944 603297005 /nfs/dbraw/zinc/29/70/05/603297005.db2.gz OUZXOZARECOWII-UHFFFAOYSA-N -1 0 330.428 3.838 20 0 EHADRM Cc1cc(CNC(=O)[O-])ccc1N(C(=O)Cc1cccs1)C1CC1 ZINC000740075563 603297007 /nfs/dbraw/zinc/29/70/07/603297007.db2.gz GHFWXKUUMFLRJY-UHFFFAOYSA-N -1 0 344.436 3.562 20 0 EHADRM C[C@H](CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1)NC(=O)[O-] ZINC000824615220 603297418 /nfs/dbraw/zinc/29/74/18/603297418.db2.gz RUWAMFRLRXKMEA-SJKOYZFVSA-N -1 0 346.814 3.592 20 0 EHADRM CC(C)C1CCN(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])CC1 ZINC000824157417 603302745 /nfs/dbraw/zinc/30/27/45/603302745.db2.gz KRDLZNWERNULNW-UHFFFAOYSA-N -1 0 331.416 3.627 20 0 EHADRM Cc1ccccc1O[C@@H](C)CNC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000830587022 603311556 /nfs/dbraw/zinc/31/15/56/603311556.db2.gz RLSICYSYKBJNIQ-ZDUSSCGKSA-N -1 0 343.383 3.674 20 0 EHADRM CN(CCCNC(=O)[O-])C(=O)Nc1ccc2oc3ccccc3c2c1 ZINC000739678190 603314918 /nfs/dbraw/zinc/31/49/18/603314918.db2.gz YTRKYRWGGYVJNL-UHFFFAOYSA-N -1 0 341.367 3.707 20 0 EHADRM CN(Cc1cccs1)C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000739711803 603335825 /nfs/dbraw/zinc/33/58/25/603335825.db2.gz CFYFFBCPJQZIMV-UHFFFAOYSA-N -1 0 333.413 3.522 20 0 EHADRM C[C@H]1CCC[C@H](N(C)C(=O)Nc2cccc(CN(C)C(=O)[O-])c2)C1 ZINC000739095777 603355701 /nfs/dbraw/zinc/35/57/01/603355701.db2.gz XRQBXASEABMJIZ-BBRMVZONSA-N -1 0 333.432 3.839 20 0 EHADRM CCN(C(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1)c1ccccc1C ZINC000826969088 603356108 /nfs/dbraw/zinc/35/61/08/603356108.db2.gz AGGCJYOTMCRGNJ-MAUKXSAKSA-N -1 0 340.423 3.993 20 0 EHADRM Cc1ccc(C(=O)NCc2ccc([C@@H]3C[C@@H]3C)o2)cc1NC(=O)[O-] ZINC000830220014 603363904 /nfs/dbraw/zinc/36/39/04/603363904.db2.gz MECIYZOLTDUOFS-SMDDNHRTSA-N -1 0 328.368 3.731 20 0 EHADRM C[C@H](Cc1ccsc1)NC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000825030427 603376192 /nfs/dbraw/zinc/37/61/92/603376192.db2.gz KFYOOEVYNLCJDP-VXGBXAGGSA-N -1 0 347.440 3.829 20 0 EHADRM COc1ccc(NC(=O)C(C)(C)c2cccs2)cc1NC(=O)[O-] ZINC000739918064 603380737 /nfs/dbraw/zinc/38/07/37/603380737.db2.gz ZRERWIWFISVNDQ-UHFFFAOYSA-N -1 0 334.397 3.763 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 ZINC000825427430 603384888 /nfs/dbraw/zinc/38/48/88/603384888.db2.gz VNUWNOLQUUDVQV-GFCCVEGCSA-N -1 0 325.368 3.563 20 0 EHADRM C[C@H](C(=O)Nc1nc(C2CC2)cs1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823723660 603389636 /nfs/dbraw/zinc/38/96/36/603389636.db2.gz MHTLRQXVDIFELA-HZMBPMFUSA-N -1 0 345.424 3.604 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739084548 603393031 /nfs/dbraw/zinc/39/30/31/603393031.db2.gz RDJQSIRWHQQRPM-IUODEOHRSA-N -1 0 342.370 3.934 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)[C@@H](C)[C@H](NC(=O)[O-])c2ccccc2)s1 ZINC000830250773 603394583 /nfs/dbraw/zinc/39/45/83/603394583.db2.gz KDKJOIPHBWFFPQ-XEZPLFJOSA-N -1 0 346.452 3.879 20 0 EHADRM O=C([O-])N[C@H]1CC[C@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000832317572 603409832 /nfs/dbraw/zinc/40/98/32/603409832.db2.gz AIKSUCDSHLVLLJ-ONGXEEELSA-N -1 0 341.289 3.659 20 0 EHADRM Cc1ccc(-c2ocnc2C(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738250914 603412348 /nfs/dbraw/zinc/41/23/48/603412348.db2.gz UYVYUWFBJPCINU-UHFFFAOYSA-N -1 0 337.335 3.992 20 0 EHADRM COc1cccc(-c2noc(-c3ccc(F)c(NC(=O)[O-])c3)n2)c1 ZINC000829531289 603423870 /nfs/dbraw/zinc/42/38/70/603423870.db2.gz HCKAQRBNOVTDHQ-UHFFFAOYSA-N -1 0 329.287 3.641 20 0 EHADRM CCc1nc(C)c(C(=O)N2CCCN(C(=O)[O-])c3ccccc32)s1 ZINC000739555934 603431873 /nfs/dbraw/zinc/43/18/73/603431873.db2.gz MJGBMXPZGUQEPH-UHFFFAOYSA-N -1 0 345.424 3.549 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)C/C=C/c2cccc(F)c2)c1 ZINC000829469747 603440327 /nfs/dbraw/zinc/44/03/27/603440327.db2.gz VFLHDDWYLWRFCQ-HWKANZROSA-N -1 0 344.342 3.966 20 0 EHADRM CO[C@H](C)c1nc(C)c(C(=O)Nc2ccc(NC(=O)[O-])cc2)s1 ZINC000828830265 603442323 /nfs/dbraw/zinc/44/23/23/603442323.db2.gz JGKRLQVZDJJACP-SECBINFHSA-N -1 0 335.385 3.501 20 0 EHADRM O=C([O-])NC1(c2noc(-c3cc(F)cc(C(F)(F)F)c3)n2)CCC1 ZINC000832222620 603464502 /nfs/dbraw/zinc/46/45/02/603464502.db2.gz DJHDEKRLNUGQMY-UHFFFAOYSA-N -1 0 345.252 3.541 20 0 EHADRM CCC1(CC)CCN(C(=O)Nc2ccccc2CN(C)C(=O)[O-])C1 ZINC000826650121 603471446 /nfs/dbraw/zinc/47/14/46/603471446.db2.gz PFESSNIYCISZBN-UHFFFAOYSA-N -1 0 333.432 3.840 20 0 EHADRM Cc1nc(C(F)(F)F)ccc1C(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000830709301 603482808 /nfs/dbraw/zinc/48/28/08/603482808.db2.gz IIHIREZRGBRFNL-UHFFFAOYSA-N -1 0 340.257 3.718 20 0 EHADRM CCc1cccc(C)c1NC(=O)C[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000827595027 603524853 /nfs/dbraw/zinc/52/48/53/603524853.db2.gz KPZLXCSUQZINEP-KRWDZBQOSA-N -1 0 340.423 3.765 20 0 EHADRM Cc1ccc(C(=O)N(C)c2nc3ccccc3s2)cc1NC(=O)[O-] ZINC000830182217 603529745 /nfs/dbraw/zinc/52/97/45/603529745.db2.gz UZFHJCUSQWJECZ-UHFFFAOYSA-N -1 0 341.392 3.971 20 0 EHADRM C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC([C@@H]2CCCN2C(=O)[O-])CC1 ZINC000825646096 603538623 /nfs/dbraw/zinc/53/86/23/603538623.db2.gz YMLRNBOBIKRESP-ZFWWWQNUSA-N -1 0 349.475 3.888 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@H](C(=O)Nc2cc(-c3ccccc3)ns2)C1 ZINC000832323485 603539553 /nfs/dbraw/zinc/53/95/53/603539553.db2.gz DLDXGSVIIBCOQQ-STQMWFEESA-N -1 0 345.424 3.575 20 0 EHADRM CN(CC(C)(C)CNC(=O)[O-])C(=O)Nc1ccc2ccccc2c1 ZINC000828143265 603549078 /nfs/dbraw/zinc/54/90/78/603549078.db2.gz WLOIJPKQYKSRFX-UHFFFAOYSA-N -1 0 329.400 3.597 20 0 EHADRM CCN(CC1CCN(C(=O)Nc2cccc(C)c2C)CC1)C(=O)[O-] ZINC000827075013 603578162 /nfs/dbraw/zinc/57/81/62/603578162.db2.gz MALLBQLASQHZHN-UHFFFAOYSA-N -1 0 333.432 3.547 20 0 EHADRM CC(C)C[C@H]1CCN(C(=O)Nc2ccccc2CN(C)C(=O)[O-])C1 ZINC000824231535 603597851 /nfs/dbraw/zinc/59/78/51/603597851.db2.gz JSAOHFAWIJABMQ-CQSZACIVSA-N -1 0 333.432 3.696 20 0 EHADRM CCN(Cc1ccccc1NC(=O)c1cccc2cnccc21)C(=O)[O-] ZINC000827187375 603609645 /nfs/dbraw/zinc/60/96/45/603609645.db2.gz YZTGOZAIVFUPGZ-UHFFFAOYSA-N -1 0 349.390 3.987 20 0 EHADRM Cc1c(F)cccc1NC(=O)N1CCC[C@@H]([C@@H]2CCCN2C(=O)[O-])C1 ZINC000829872537 603610658 /nfs/dbraw/zinc/61/06/58/603610658.db2.gz XCIQWXUDMNVJBN-CJNGLKHVSA-N -1 0 349.406 3.520 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)Cc2ccc(NC(=O)[O-])cc2)ccc1F ZINC000829981635 603714444 /nfs/dbraw/zinc/71/44/44/603714444.db2.gz YPZIDAOATVOAFK-GFCCVEGCSA-N -1 0 330.359 3.644 20 0 EHADRM COc1ccc(NC(=O)C2(Cc3ccccc3)CC2)cc1NC(=O)[O-] ZINC000829442930 603735402 /nfs/dbraw/zinc/73/54/02/603735402.db2.gz TYGVNMDGISRZCC-UHFFFAOYSA-N -1 0 340.379 3.747 20 0 EHADRM COc1cc(NC(=O)C2(Cc3ccccc3)CC2)ccc1NC(=O)[O-] ZINC000829154242 603735595 /nfs/dbraw/zinc/73/55/95/603735595.db2.gz WNQVUORYUFYIDE-UHFFFAOYSA-N -1 0 340.379 3.747 20 0 EHADRM Cc1ccc(C(=O)N2CCc3c(F)ccc(F)c3C2)cc1NC(=O)[O-] ZINC000830198960 603774710 /nfs/dbraw/zinc/77/47/10/603774710.db2.gz QDYQRKSRTXWGBT-UHFFFAOYSA-N -1 0 346.333 3.562 20 0 EHADRM Cc1ccc(C(=O)N2CCS[C@H]3CCCC[C@H]32)cc1NC(=O)[O-] ZINC000830198357 603778159 /nfs/dbraw/zinc/77/81/59/603778159.db2.gz KWUYMZACICBLDV-CABCVRRESA-N -1 0 334.441 3.585 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccc(F)cc1F ZINC000738992264 603807237 /nfs/dbraw/zinc/80/72/37/603807237.db2.gz YZZQEEYRVOKMEW-SNVBAGLBSA-N -1 0 349.337 3.615 20 0 EHADRM CC[C@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccccc1 ZINC000826582454 603816321 /nfs/dbraw/zinc/81/63/21/603816321.db2.gz ZKVLDMOZOHAZQL-PDOIAVGCSA-N -1 0 344.455 3.608 20 0 EHADRM CC(C)Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000824382436 603830073 /nfs/dbraw/zinc/83/00/73/603830073.db2.gz QDTXTLRMVXPSPF-UHFFFAOYSA-N -1 0 345.374 3.666 20 0 EHADRM C[C@H](OC(=O)[C@@H](NC(=O)[O-])c1ccccc1)c1cc(F)ccc1F ZINC000825598220 603832817 /nfs/dbraw/zinc/83/28/17/603832817.db2.gz GVKMRKOYERKNRN-BONVTDFDSA-N -1 0 335.306 3.578 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc1 ZINC000830250713 603835830 /nfs/dbraw/zinc/83/58/30/603835830.db2.gz IXSMRWNETOWAJI-UNPWZGGWSA-N -1 0 344.455 3.826 20 0 EHADRM C[C@H](OC(=O)[C@H](NC(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000825602171 603837864 /nfs/dbraw/zinc/83/78/64/603837864.db2.gz IWCFIBKKUHTIJP-ZUZCIYMTSA-N -1 0 335.306 3.578 20 0 EHADRM COc1cccc([C@H](C)Cc2nc([C@H](CC(C)C)NC(=O)[O-])no2)c1 ZINC000829543519 603878119 /nfs/dbraw/zinc/87/81/19/603878119.db2.gz LSXSIMQKFTUDRS-DOMZBBRYSA-N -1 0 347.415 3.779 20 0 EHADRM Cc1ccc(/C=C/CC(=O)N(C2CC2)C2CCN(C(=O)[O-])CC2)cc1 ZINC000830288995 603918024 /nfs/dbraw/zinc/91/80/24/603918024.db2.gz QANWPYJASVHTFV-NSCUHMNNSA-N -1 0 342.439 3.532 20 0 EHADRM CSc1ccsc1C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000829777590 603942066 /nfs/dbraw/zinc/94/20/66/603942066.db2.gz HDZBHWOYIKAXIZ-UHFFFAOYSA-N -1 0 334.422 3.763 20 0 EHADRM C[C@H](c1ccccc1)[C@H](C)NC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000825101268 603950809 /nfs/dbraw/zinc/95/08/09/603950809.db2.gz OFHQTWADNVJMLY-LSLVUIDQSA-N -1 0 344.455 3.606 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)c1cccc2cccnc21 ZINC000831797904 603958038 /nfs/dbraw/zinc/95/80/38/603958038.db2.gz YHKSJNADGZPZIX-UHFFFAOYSA-N -1 0 333.347 3.528 20 0 EHADRM CCN(C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1)c1cccc2ccccc21 ZINC000826970110 603961522 /nfs/dbraw/zinc/96/15/22/603961522.db2.gz NPAJHKOYLMXDSF-GJZGRUSLSA-N -1 0 326.396 3.629 20 0 EHADRM COCc1cccc(NC(=O)Nc2cccc3c2CCN3C(=O)[O-])c1 ZINC000829040992 603966934 /nfs/dbraw/zinc/96/69/34/603966934.db2.gz VIVOSDJKDPLELU-UHFFFAOYSA-N -1 0 341.367 3.518 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)N1CCC2(CCCC2)C1 ZINC000831793933 603986140 /nfs/dbraw/zinc/98/61/40/603986140.db2.gz RXTSRXKGKAJSKM-UHFFFAOYSA-N -1 0 329.400 3.525 20 0 EHADRM C[C@H](C1CC1)N(C(=O)Nc1cccc2c1CCN2C(=O)[O-])C1CC1 ZINC000824545787 603988716 /nfs/dbraw/zinc/98/87/16/603988716.db2.gz ZWNGLLCWYJSWID-LLVKDONJSA-N -1 0 329.400 3.522 20 0 EHADRM Cc1cccc([C@@H]2CCCCN2C(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)c1C ZINC000830493025 603993732 /nfs/dbraw/zinc/99/37/32/603993732.db2.gz MIHJHGOCUBMHSG-RYRKJORJSA-N -1 0 344.455 3.793 20 0 EHADRM CN(Cc1cccc(NC(=O)/C=C/SCc2ccco2)c1)C(=O)[O-] ZINC000828375474 604011855 /nfs/dbraw/zinc/01/18/55/604011855.db2.gz ITZYTVIMHKOCOU-VQHVLOKHSA-N -1 0 346.408 3.775 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N(C2CC2)C2CCCC2)cc1 ZINC000825423894 604015515 /nfs/dbraw/zinc/01/55/15/604015515.db2.gz WIRFOORBZOBXEV-LBPRGKRZSA-N -1 0 331.416 3.954 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(NC(=O)[O-])cc2)[C@@H](c2ccco2)C1 ZINC000825944258 604024592 /nfs/dbraw/zinc/02/45/92/604024592.db2.gz MKWPTTUAWFIBTI-SWLSCSKDSA-N -1 0 328.368 3.983 20 0 EHADRM Cc1cc(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)c(F)cc1F ZINC000829965878 604057999 /nfs/dbraw/zinc/05/79/99/604057999.db2.gz NOODURQFQPBFMO-SNVBAGLBSA-N -1 0 334.322 3.854 20 0 EHADRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)Nc2ccc(C(C)(C)C)cc2)C1 ZINC000825235718 604060963 /nfs/dbraw/zinc/06/09/63/604060963.db2.gz HDSNFLBWXVDSFW-KGLIPLIRSA-N -1 0 347.459 3.884 20 0 EHADRM Cc1c(Cl)cccc1NC(=O)N1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000829871518 604061518 /nfs/dbraw/zinc/06/15/18/604061518.db2.gz BQESELJGVOXVOZ-RYUDHWBXSA-N -1 0 339.823 3.548 20 0 EHADRM Cc1cccc(NC(=O)N2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)c1Cl ZINC000830517464 604094747 /nfs/dbraw/zinc/09/47/47/604094747.db2.gz YDRMKVJNQCESGD-NEPJUHHUSA-N -1 0 339.823 3.548 20 0 EHADRM Cc1cc2cc(C(=O)N3CCC[C@@H]([C@@H](C)NC(=O)[O-])C3)oc2cc1C ZINC000830144214 604186295 /nfs/dbraw/zinc/18/62/95/604186295.db2.gz TXDUWBLZLRLWCQ-ZIAGYGMSSA-N -1 0 344.411 3.558 20 0 EHADRM C[C@H](c1cccs1)N(C)C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736723714 604191786 /nfs/dbraw/zinc/19/17/86/604191786.db2.gz DROWGNSNIMVBHW-GFCCVEGCSA-N -1 0 347.440 3.783 20 0 EHADRM O=C([O-])N(CC1CC1)C1CCN(C(=O)CCCC2CCCC2)CC1 ZINC000831427373 604242816 /nfs/dbraw/zinc/24/28/16/604242816.db2.gz AZHAGWZYAGIXMX-UHFFFAOYSA-N -1 0 336.476 3.728 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)C1CC1 ZINC000832981248 604272787 /nfs/dbraw/zinc/27/27/87/604272787.db2.gz DTDWGHJZWIVZFP-KRWDZBQOSA-N -1 0 327.355 3.713 20 0 EHADRM C[C@@H](CNc1ccccc1)NC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000824980123 604273341 /nfs/dbraw/zinc/27/33/41/604273341.db2.gz LDFLDPUOVMBGNJ-NSHDSACASA-N -1 0 346.362 3.538 20 0 EHADRM Cc1ccc(C[C@@H]2CCCN2C(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000832929585 604274888 /nfs/dbraw/zinc/27/48/88/604274888.db2.gz YIYIHBNNWIYTSR-INIZCTEOSA-N -1 0 341.382 3.680 20 0 EHADRM CCCOc1ccc([C@@H](C)NC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)cc1 ZINC000829527967 604277593 /nfs/dbraw/zinc/27/75/93/604277593.db2.gz NTWFWCDWBUPJOF-GFCCVEGCSA-N -1 0 344.411 3.610 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)C(C)(C)c1ccccc1 ZINC000827695435 604304788 /nfs/dbraw/zinc/30/47/88/604304788.db2.gz TYWYEEPQIVTVGS-GFCCVEGCSA-N -1 0 329.371 3.620 20 0 EHADRM COc1cc(C(=O)Nc2cc(C(=O)[O-])cs2)ccc1OCC(C)C ZINC000571477511 604313426 /nfs/dbraw/zinc/31/34/26/604313426.db2.gz GDOZDMIJEPHKCL-UHFFFAOYSA-N -1 0 349.408 3.742 20 0 EHADRM CSCc1cc(C(=O)Nc2cc(C(=O)[O-])cs2)ccc1F ZINC000191359303 604314842 /nfs/dbraw/zinc/31/48/42/604314842.db2.gz KVAMEPUHMUEZIS-UHFFFAOYSA-N -1 0 325.386 3.701 20 0 EHADRM CN(C[C@H]1CCCN(C(=O)c2ccc(C(C)(C)C)s2)C1)C(=O)[O-] ZINC000828179594 604317247 /nfs/dbraw/zinc/31/72/47/604317247.db2.gz ABGSKCOGMOPGLL-GFCCVEGCSA-N -1 0 338.473 3.508 20 0 EHADRM CSc1ccc(NC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)cc1Cl ZINC000832780868 604331537 /nfs/dbraw/zinc/33/15/37/604331537.db2.gz JRXAXYOAGOXGIZ-UHFFFAOYSA-N -1 0 338.816 3.957 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(NC(=O)[O-])cc2)n1 ZINC000830494294 604337232 /nfs/dbraw/zinc/33/72/32/604337232.db2.gz ZUESXDRCHFMXOY-MRXNPFEDSA-N -1 0 340.383 3.849 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCC(C(F)F)CC2)cc1Cl ZINC000307865117 604339087 /nfs/dbraw/zinc/33/90/87/604339087.db2.gz DGSSRTLMROAXPF-UHFFFAOYSA-N -1 0 332.734 3.547 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCC[C@H]2CCC2CCCCC2)n1 ZINC000833327303 604343725 /nfs/dbraw/zinc/34/37/25/604343725.db2.gz GXOSUGYGLLNKRU-HNNXBMFYSA-N -1 0 330.428 3.745 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1cccc2ncccc21 ZINC000237948053 604351635 /nfs/dbraw/zinc/35/16/35/604351635.db2.gz KHGIRIYJJZKNDU-UHFFFAOYSA-N -1 0 348.402 3.742 20 0 EHADRM C[C@@H](NC(=O)[O-])c1nc(-c2ccc(Br)cc2)cs1 ZINC000825453429 604351824 /nfs/dbraw/zinc/35/18/24/604351824.db2.gz JMOKQHUDWYSVFM-SSDOTTSWSA-N -1 0 327.203 3.901 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(CNC(=O)[O-])c2)c(Cl)cc1F ZINC000829965638 604362076 /nfs/dbraw/zinc/36/20/76/604362076.db2.gz BMMIHRSCTAIAGS-UHFFFAOYSA-N -1 0 336.750 3.807 20 0 EHADRM O=C([O-])c1cc(NC(=O)Cc2ccc(F)cc2Cl)c(F)cc1F ZINC000833118904 604380913 /nfs/dbraw/zinc/38/09/13/604380913.db2.gz UTDZADXVEZLDIX-UHFFFAOYSA-N -1 0 343.688 3.637 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1cc(F)ccc1F)c1ccccc1 ZINC000826103714 604381412 /nfs/dbraw/zinc/38/14/12/604381412.db2.gz UYNKJCADDLAHIT-HNNXBMFYSA-N -1 0 333.334 3.547 20 0 EHADRM C[C@H](CC(=O)N1C[C@H](C)[C@H]1c1ccccc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824563314 604385156 /nfs/dbraw/zinc/38/51/56/604385156.db2.gz ALPYVJGHLOXKIA-GFIVTLFCSA-N -1 0 344.455 3.622 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1ccc2ncccc2c1)c1ccccc1 ZINC000826103760 604385428 /nfs/dbraw/zinc/38/54/28/604385428.db2.gz WGNFDUPVVKFITK-GOSISDBHSA-N -1 0 348.402 3.817 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1cc(F)cc(F)c1)c1ccccc1 ZINC000826102777 604385505 /nfs/dbraw/zinc/38/55/05/604385505.db2.gz IHUUQTXPSJNPKU-OAHLLOKOSA-N -1 0 333.334 3.547 20 0 EHADRM C[C@H](c1ccccc1)n1ccc(NCc2ccc(NC(=O)[O-])nc2)n1 ZINC000825639533 604411691 /nfs/dbraw/zinc/41/16/91/604411691.db2.gz TYKVNXJRRFLJRK-CYBMUJFWSA-N -1 0 337.383 3.589 20 0 EHADRM CC1(C)C[C@H](NC(=O)NCc2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC000828056701 604421273 /nfs/dbraw/zinc/42/12/73/604421273.db2.gz VUTHVGYPYBLJDV-KRWDZBQOSA-N -1 0 338.407 3.607 20 0 EHADRM CC(C)(C)Oc1cccc(CNc2nc(Cl)c(C(=O)[O-])s2)n1 ZINC000833446583 604464522 /nfs/dbraw/zinc/46/45/22/604464522.db2.gz BXMIVXOTTHSOMR-UHFFFAOYSA-N -1 0 341.820 3.679 20 0 EHADRM CC(C)(C)O[C@@H](C(=O)Oc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000833445534 604469457 /nfs/dbraw/zinc/46/94/57/604469457.db2.gz AVFVECASHPXGEL-MRXNPFEDSA-N -1 0 328.364 3.847 20 0 EHADRM COCCC1(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)CCCC1 ZINC000828941524 604477453 /nfs/dbraw/zinc/47/74/53/604477453.db2.gz UMIQULXIEHWOJJ-ZDUSSCGKSA-N -1 0 334.416 3.551 20 0 EHADRM C[C@H]1CSc2ccccc2N(C(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC000833631897 604485426 /nfs/dbraw/zinc/48/54/26/604485426.db2.gz HGGJTAHXHIMVST-LLVKDONJSA-N -1 0 345.395 3.913 20 0 EHADRM O=C([O-])c1csc(NC(=O)NCc2ccccc2OCC2CC2)c1 ZINC000833147018 604491705 /nfs/dbraw/zinc/49/17/05/604491705.db2.gz QYPFUQCEYZEZCX-UHFFFAOYSA-N -1 0 346.408 3.557 20 0 EHADRM O=C([O-])c1csc(NC(=O)NCc2c(F)cccc2Cl)c1 ZINC000833144135 604505607 /nfs/dbraw/zinc/50/56/07/604505607.db2.gz QEDIGQQACGDEJC-UHFFFAOYSA-N -1 0 328.752 3.561 20 0 EHADRM CCc1cccc2c1OCC[C@H]2NC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000830270134 604506854 /nfs/dbraw/zinc/50/68/54/604506854.db2.gz MGRIRKHFKZSOMN-CYBMUJFWSA-N -1 0 346.408 3.654 20 0 EHADRM CCSc1ccc([C@@H](C)NC(=O)N2CCC[C@@H]2CC(=O)[O-])cc1 ZINC000830169732 604508338 /nfs/dbraw/zinc/50/83/38/604508338.db2.gz WRSIKYPFMVKPTF-TZMCWYRMSA-N -1 0 336.457 3.508 20 0 EHADRM Cc1c(NC(=O)c2ccc(CNC(=O)[O-])o2)cccc1C(F)(F)F ZINC000829884552 604509310 /nfs/dbraw/zinc/50/93/10/604509310.db2.gz PNRSJFMEIJIRCD-UHFFFAOYSA-N -1 0 342.273 3.627 20 0 EHADRM O=C([O-])c1csc(NC(=O)N2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000833341998 604514557 /nfs/dbraw/zinc/51/45/57/604514557.db2.gz CEBPNPUQVGMQFU-LLVKDONJSA-N -1 0 334.372 3.607 20 0 EHADRM Cc1ccccc1C[C@@H]1CCCN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000832981124 604518950 /nfs/dbraw/zinc/51/89/50/604518950.db2.gz ZCXYFXWDHKXKGY-HNNXBMFYSA-N -1 0 344.436 3.994 20 0 EHADRM C[C@H](Oc1ccc(CN(C)Cc2ccccc2Cl)cc1)C(=O)[O-] ZINC000833537376 604519599 /nfs/dbraw/zinc/51/95/99/604519599.db2.gz JLMSBWRZEMQDBP-ZDUSSCGKSA-N -1 0 333.815 3.824 20 0 EHADRM CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000830157975 604520957 /nfs/dbraw/zinc/52/09/57/604520957.db2.gz PYAAAPXWIOOYHQ-GHMZBOCLSA-N -1 0 328.459 3.632 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)N(C1CC1)C1CCCC1)c1ccccc1 ZINC000826089734 604526036 /nfs/dbraw/zinc/52/60/36/604526036.db2.gz NRYWLELXJXOELM-KRWDZBQOSA-N -1 0 344.455 3.955 20 0 EHADRM O=C([O-])c1cc(Oc2ccccc2)ccc1NC(=O)[C@@H]1CCCCO1 ZINC000833300803 604544135 /nfs/dbraw/zinc/54/41/35/604544135.db2.gz LYOGXASIEARYOD-KRWDZBQOSA-N -1 0 341.363 3.685 20 0 EHADRM O=C([O-])Nc1cc2ccccc2cc1C(=O)N[C@H]1CCC(F)(F)C1 ZINC000832829289 604548245 /nfs/dbraw/zinc/54/82/45/604548245.db2.gz RIDUROMMLXYOPV-LBPRGKRZSA-N -1 0 334.322 3.847 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])cn1 ZINC000827117960 604558484 /nfs/dbraw/zinc/55/84/84/604558484.db2.gz NRAOQFKHPWEQOO-KRWDZBQOSA-N -1 0 340.423 3.787 20 0 EHADRM CCCCCCNC(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000829358131 604566374 /nfs/dbraw/zinc/56/63/74/604566374.db2.gz ZEPLYQZOUQNDIW-UHFFFAOYSA-N -1 0 347.459 3.551 20 0 EHADRM Cc1c(C)c(C)c(COC(=O)c2cccc(C(=O)[O-])n2)c(C)c1C ZINC000832853674 604568591 /nfs/dbraw/zinc/56/85/91/604568591.db2.gz RYOHMWKLGNSCGC-UHFFFAOYSA-N -1 0 327.380 3.679 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)c1sccc1-c1ccc(F)cc1 ZINC000833210653 604569174 /nfs/dbraw/zinc/56/91/74/604569174.db2.gz NTKUBSSGZJIGJO-CYBMUJFWSA-N -1 0 333.384 3.634 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)CC(c1ccccc1)c1ccccc1 ZINC000263028309 604573441 /nfs/dbraw/zinc/57/34/41/604573441.db2.gz URHGSRALERVDNN-SFHVURJKSA-N -1 0 337.419 3.674 20 0 EHADRM CCc1ccc(C(C)(C)C(=O)NCCc2cccc(C(=O)[O-])c2)cc1 ZINC000439936960 604585279 /nfs/dbraw/zinc/58/52/79/604585279.db2.gz WYQUSAAEMZLMLJ-UHFFFAOYSA-N -1 0 339.435 3.584 20 0 EHADRM Cc1cc([C@H](C)OC(=O)[C@H]2CSc3ccccc32)oc1C(=O)[O-] ZINC000832873981 604587987 /nfs/dbraw/zinc/58/79/87/604587987.db2.gz JGLZOKUJNFKGTF-JQWIXIFHSA-N -1 0 332.377 3.780 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)CNc2c(C)cccc2C)oc1C(=O)[O-] ZINC000832873105 604592357 /nfs/dbraw/zinc/59/23/57/604592357.db2.gz ZHKWFTQBWZLJIA-CYBMUJFWSA-N -1 0 331.368 3.619 20 0 EHADRM CN(Cc1cccn1C)C(=O)c1cc2ccccc2cc1NC(=O)[O-] ZINC000828406842 604593232 /nfs/dbraw/zinc/59/32/32/604593232.db2.gz HNMFVEKJEQJBNN-UHFFFAOYSA-N -1 0 337.379 3.540 20 0 EHADRM CC1=C(C(=O)O[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CCCO1 ZINC000833579635 604595949 /nfs/dbraw/zinc/59/59/49/604595949.db2.gz PIIHVURESZDEHF-CYBMUJFWSA-N -1 0 345.178 3.747 20 0 EHADRM Cc1cc([C@H](C)OC(=O)/C=C\SCc2ccco2)oc1C(=O)[O-] ZINC000832878799 604600813 /nfs/dbraw/zinc/60/08/13/604600813.db2.gz YTVFRMBDHMYJIG-XOIDGJRKSA-N -1 0 336.365 3.931 20 0 EHADRM C[C@H]1CCC[C@H](NC(=O)Nc2cccc(SCCC(=O)[O-])c2)C1 ZINC000833607444 604602325 /nfs/dbraw/zinc/60/23/25/604602325.db2.gz FTTHTLGBRAAFQV-STQMWFEESA-N -1 0 336.457 3.954 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)C(C)(C)c1ccc(OC)cc1 ZINC000830378977 604614654 /nfs/dbraw/zinc/61/46/54/604614654.db2.gz DWTDLKASYUGZIA-UHFFFAOYSA-N -1 0 346.379 3.570 20 0 EHADRM CCOCCC1(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)CCC1 ZINC000829989810 604631171 /nfs/dbraw/zinc/63/11/71/604631171.db2.gz MIBJPBHYBBBAMI-UHFFFAOYSA-N -1 0 325.792 3.574 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000832853411 604635982 /nfs/dbraw/zinc/63/59/82/604635982.db2.gz JUQFMZUEZYEKIE-OAHLLOKOSA-N -1 0 348.443 3.781 20 0 EHADRM CCc1ccccc1C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000434783476 604655105 /nfs/dbraw/zinc/65/51/05/604655105.db2.gz HRXVMRWDSDRUKE-UHFFFAOYSA-N -1 0 347.361 3.644 20 0 EHADRM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000832855997 604665842 /nfs/dbraw/zinc/66/58/42/604665842.db2.gz LCEQWGKZLDZLQK-CABCVRRESA-N -1 0 332.444 3.531 20 0 EHADRM CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc(NC(=O)[O-])c2)c1 ZINC000825903215 604667777 /nfs/dbraw/zinc/66/77/77/604667777.db2.gz ZLRRVLLKWFQZGQ-UHFFFAOYSA-N -1 0 347.758 3.641 20 0 EHADRM CCc1nc2sccc2c(NCc2ccc(OC)c(C(=O)[O-])c2)n1 ZINC000833674972 604670832 /nfs/dbraw/zinc/67/08/32/604670832.db2.gz JEVGRESTJUVPQT-UHFFFAOYSA-N -1 0 343.408 3.573 20 0 EHADRM CC(C)(C)c1ncc(CN2CCc3ccccc3[C@H]2C(=O)[O-])s1 ZINC000833450789 604673289 /nfs/dbraw/zinc/67/32/89/604673289.db2.gz JHKWRRQUPXAZSY-HNNXBMFYSA-N -1 0 330.453 3.625 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(F)c(Cl)c1)c1ccccc1 ZINC000826044102 604704016 /nfs/dbraw/zinc/70/40/16/604704016.db2.gz CBJRXDBNPSPCSN-MEBBXXQBSA-N -1 0 335.762 3.671 20 0 EHADRM CCCNc1nnc(S[C@@H](C)c2cc(C)c(C(=O)[O-])o2)s1 ZINC000829519992 604709393 /nfs/dbraw/zinc/70/93/93/604709393.db2.gz ZKSNQNIYSPXNBA-QMMMGPOBSA-N -1 0 327.431 3.813 20 0 EHADRM C[C@@H](CC(=O)N(C)[C@@H](C)c1cccs1)C1CCN(C(=O)[O-])CC1 ZINC000824551519 604720415 /nfs/dbraw/zinc/72/04/15/604720415.db2.gz LBTKJPFOJHOESG-STQMWFEESA-N -1 0 338.473 3.684 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)NC1(c2ccc(F)cc2)CCC1 ZINC000679094597 604720491 /nfs/dbraw/zinc/72/04/91/604720491.db2.gz XVHKUDQYXZOZIG-UHFFFAOYSA-N -1 0 341.382 3.652 20 0 EHADRM C[C@H](C(=O)Nc1nc(CCC(=O)[O-])cs1)c1cccc(Cl)c1 ZINC000826025842 604731595 /nfs/dbraw/zinc/73/15/95/604731595.db2.gz GSPUCHOYUVUHNC-VIFPVBQESA-N -1 0 338.816 3.556 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1c(O)cccc1Cl)c1ccccc1 ZINC000833415826 604732036 /nfs/dbraw/zinc/73/20/36/604732036.db2.gz XZTMLYPJYYCVDQ-HNNXBMFYSA-N -1 0 347.798 3.628 20 0 EHADRM CC(C)(C)[C@@H]1CCCN(C(=O)CCc2ccccc2C(=O)[O-])CC1 ZINC000262283562 604749433 /nfs/dbraw/zinc/74/94/33/604749433.db2.gz ZZGVWGLIEOREJT-MRXNPFEDSA-N -1 0 331.456 3.992 20 0 EHADRM C[C@@H]1CCC[C@H](C)N1C(=O)CSCc1ccc(C(=O)[O-])cc1F ZINC000833608552 604755544 /nfs/dbraw/zinc/75/55/44/604755544.db2.gz BPTJLBJIPRJKSQ-TXEJJXNPSA-N -1 0 339.432 3.547 20 0 EHADRM COCc1nc(CSCc2ccc(C(=O)[O-])cc2F)cs1 ZINC000833727016 604755561 /nfs/dbraw/zinc/75/55/61/604755561.db2.gz ZORFMQUEQXGWHG-UHFFFAOYSA-N -1 0 327.402 3.560 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC000262800671 604762459 /nfs/dbraw/zinc/76/24/59/604762459.db2.gz MJVVIXYCKAWDER-SCLBCKFNSA-N -1 0 341.382 3.676 20 0 EHADRM Cc1ccccc1-c1noc(CN2CC[C@@H](C(=O)[O-])c3ccccc32)n1 ZINC000643055083 604772862 /nfs/dbraw/zinc/77/28/62/604772862.db2.gz UDMVGCCQNMRIQZ-MRXNPFEDSA-N -1 0 349.390 3.624 20 0 EHADRM O=C([O-])c1occc1CNc1cccc(-c2noc(C3CC3)n2)c1 ZINC000833785156 604778130 /nfs/dbraw/zinc/77/81/30/604778130.db2.gz GNFVZUZGUGWWTN-UHFFFAOYSA-N -1 0 325.324 3.517 20 0 EHADRM O=C([O-])c1cccc(-c2noc([C@@H]3CCCc4sccc43)n2)c1 ZINC000322626787 604797139 /nfs/dbraw/zinc/79/71/39/604797139.db2.gz UFFFRZPHQYGPHX-CYBMUJFWSA-N -1 0 326.377 3.965 20 0 EHADRM C[C@@H](SCC(=O)NCc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000827902871 604800312 /nfs/dbraw/zinc/80/03/12/604800312.db2.gz WKMKJLHFOLJMBB-CYBMUJFWSA-N -1 0 344.436 3.887 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)CC1 ZINC000262996895 604814126 /nfs/dbraw/zinc/81/41/26/604814126.db2.gz UIBCBVMERTYEDN-KOMQPUFPSA-N -1 0 329.440 3.732 20 0 EHADRM C/C(=C/C(=O)N1CCc2ccc(C(=O)[O-])cc2C1)c1cccc(F)c1 ZINC000777378115 604814833 /nfs/dbraw/zinc/81/48/33/604814833.db2.gz PIVGHMIBMYKJAP-LCYFTJDESA-N -1 0 339.366 3.512 20 0 EHADRM Cc1ccc(C(C)(C)CNC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000832924953 604819730 /nfs/dbraw/zinc/81/97/30/604819730.db2.gz VNMKELAMMJOHNC-UHFFFAOYSA-N -1 0 329.371 3.540 20 0 EHADRM CCCCn1ncc(NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1C ZINC000829448134 604848876 /nfs/dbraw/zinc/84/88/76/604848876.db2.gz YGSDBDMRHXARSL-UHFFFAOYSA-N -1 0 330.388 3.642 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)C1 ZINC000237602315 604850590 /nfs/dbraw/zinc/85/05/90/604850590.db2.gz QUUNDDPYDRBSFS-MNOVXSKESA-N -1 0 325.792 3.568 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)Nc2ccc(-c3ccccc3)nn2)c1 ZINC000833288197 604850733 /nfs/dbraw/zinc/85/07/33/604850733.db2.gz JSBYKABOHBKBKB-UHFFFAOYSA-N -1 0 349.350 3.878 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1cc(C)n(-c2ccccc2)n1 ZINC000833681148 604871818 /nfs/dbraw/zinc/87/18/18/604871818.db2.gz UUYRUGOMQDEENL-UHFFFAOYSA-N -1 0 325.368 3.646 20 0 EHADRM CC(C)Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000013224948 604881728 /nfs/dbraw/zinc/88/17/28/604881728.db2.gz LTKMRMYNVANHDQ-SFHVURJKSA-N -1 0 325.408 3.831 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000387553807 604885457 /nfs/dbraw/zinc/88/54/57/604885457.db2.gz CYAZUBPBXJTKTE-SNVBAGLBSA-N -1 0 344.238 3.956 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cc2c(s1)CCCC2)c1ccccc1 ZINC000013224474 604886198 /nfs/dbraw/zinc/88/61/98/604886198.db2.gz HVKHEIHJUBGCFF-CQSZACIVSA-N -1 0 329.421 3.573 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cc(F)c(Cl)cc2F)C1 ZINC000322155253 604888380 /nfs/dbraw/zinc/88/83/80/604888380.db2.gz LSFUNXMEVXDZLD-SECBINFHSA-N -1 0 345.773 3.581 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@H]2CCCc3sccc32)cc1F ZINC000833314915 604888496 /nfs/dbraw/zinc/88/84/96/604888496.db2.gz AWLWFEFZCFNLJK-LBPRGKRZSA-N -1 0 334.368 3.749 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)/C=C/c2ccccc2Cl)C1 ZINC000322202978 604889661 /nfs/dbraw/zinc/88/96/61/604889661.db2.gz TVNDXBCONCTGMX-HBWSCVEGSA-N -1 0 335.831 3.703 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c2ccccc2n1 ZINC000326956606 604891112 /nfs/dbraw/zinc/89/11/12/604891112.db2.gz ZZVADAXDFYCGFR-CQSZACIVSA-N -1 0 340.423 3.506 20 0 EHADRM C[C@@]1(NC(=O)Cc2cccc3ccccc32)CCCC[C@H]1C(=O)[O-] ZINC000262732326 604891295 /nfs/dbraw/zinc/89/12/95/604891295.db2.gz ICFCLYWEEFXWEI-FXAWDEMLSA-N -1 0 325.408 3.532 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2CCCc3sccc32)C1 ZINC000322058153 604893855 /nfs/dbraw/zinc/89/38/55/604893855.db2.gz OOMWXNSAROKWBM-TZMCWYRMSA-N -1 0 335.469 3.517 20 0 EHADRM CC(C)CC[C@@H](C)NC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000826845752 604907285 /nfs/dbraw/zinc/90/72/85/604907285.db2.gz YSHGOHQNOPPCNR-LLVKDONJSA-N -1 0 342.823 3.750 20 0 EHADRM Cc1cc(C(=O)Nc2cncc(C(=O)[O-])c2)c(C)n1C1CCCCC1 ZINC000832866648 604911274 /nfs/dbraw/zinc/91/12/74/604911274.db2.gz ISEXQDUQRVDORY-UHFFFAOYSA-N -1 0 341.411 3.956 20 0 EHADRM CC[C@H](C)CN(CC)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000828747014 604920628 /nfs/dbraw/zinc/92/06/28/604920628.db2.gz KUKYHUZAHKKTHK-NSHDSACASA-N -1 0 342.823 3.703 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)C2CCC(C)(C)CC2)cc1 ZINC000832225976 604921175 /nfs/dbraw/zinc/92/11/75/604921175.db2.gz FSZCQVQEBDQRBL-INIZCTEOSA-N -1 0 333.428 3.544 20 0 EHADRM CCc1nc(C2(NC(=O)OC(C)(C)C)CCCC2)sc1C(=O)[O-] ZINC000833673028 604924409 /nfs/dbraw/zinc/92/44/09/604924409.db2.gz HGZHKZTWUCYMBB-UHFFFAOYSA-N -1 0 340.445 3.698 20 0 EHADRM CCOc1cccc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)c1 ZINC000236911331 604935113 /nfs/dbraw/zinc/93/51/13/604935113.db2.gz KGSKEDMNMUTZQD-UHFFFAOYSA-N -1 0 341.407 3.593 20 0 EHADRM CCC[C@H](C)[C@@H]1CCCN1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000829209888 604946417 /nfs/dbraw/zinc/94/64/17/604946417.db2.gz YDDSTBSCZLLAJF-BBRMVZONSA-N -1 0 334.416 3.583 20 0 EHADRM C[C@]1(NC(=O)c2cccc(-c3cscn3)c2)CCCC[C@H]1C(=O)[O-] ZINC000833573505 604958987 /nfs/dbraw/zinc/95/89/87/604958987.db2.gz SEUNZKHTBMOIOU-KSSFIOAISA-N -1 0 344.436 3.573 20 0 EHADRM C[C@]1(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)CCCC[C@@H]1C(=O)[O-] ZINC000431864646 604959037 /nfs/dbraw/zinc/95/90/37/604959037.db2.gz XMELTEHAGFXBOI-KDOFPFPSSA-N -1 0 348.830 3.514 20 0 EHADRM C[C@]1(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCCC[C@@H]1C(=O)[O-] ZINC000262758786 604960202 /nfs/dbraw/zinc/96/02/02/604960202.db2.gz KDXSWVXLLXVDEG-BLTAXRJOSA-N -1 0 335.366 3.505 20 0 EHADRM C[C@@]1(NC(=O)c2cncc(-c3ccccc3)c2)CCCC[C@@H]1C(=O)[O-] ZINC000833573833 604963055 /nfs/dbraw/zinc/96/30/55/604963055.db2.gz VTEKGOBSPWLWQQ-YLJYHZDGSA-N -1 0 338.407 3.512 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccccc1 ZINC000828685490 604966584 /nfs/dbraw/zinc/96/65/84/604966584.db2.gz NMNLIRCCGCSCEF-QGZVFWFLSA-N -1 0 347.440 3.607 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2nc(CCC(=O)[O-])cs2)cc1C ZINC000832921765 604980379 /nfs/dbraw/zinc/98/03/79/604980379.db2.gz VRIWDBHWTDGWJB-GFCCVEGCSA-N -1 0 347.440 3.660 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)Nc2cc(C(F)F)ccc2Cl)C1 ZINC000263058145 604992913 /nfs/dbraw/zinc/99/29/13/604992913.db2.gz ODWCUKVAJSBGGE-SECBINFHSA-N -1 0 332.734 3.606 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2c[nH]cc2-c2ccccc2)C1 ZINC000679104999 604993543 /nfs/dbraw/zinc/99/35/43/604993543.db2.gz ZTNFVRPVMULRHF-HNNXBMFYSA-N -1 0 340.423 3.645 20 0 EHADRM CN(Cc1ccccc1)c1ccc(N[C@H](C(=O)[O-])c2cccnc2)cc1 ZINC000830855971 604994486 /nfs/dbraw/zinc/99/44/86/604994486.db2.gz GLMQMNQNBJZDLH-FQEVSTJZSA-N -1 0 347.418 3.956 20 0 EHADRM COc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000832602079 604996711 /nfs/dbraw/zinc/99/67/11/604996711.db2.gz POFUOMIRFVPNAO-INIZCTEOSA-N -1 0 343.354 3.510 20 0 EHADRM CCC[C@H](C)[C@H]1CCCN1C(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC000829209672 604997653 /nfs/dbraw/zinc/99/76/53/604997653.db2.gz VTUZHVCFBGSOOU-XJKSGUPXSA-N -1 0 348.443 3.504 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)C/C=C/c2ccc(F)cc2)C1 ZINC000679105710 604998028 /nfs/dbraw/zinc/99/80/28/604998028.db2.gz MDVKROYZAKHXLP-UJAVWCLSSA-N -1 0 333.403 3.578 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2[nH]c3ccccc3c2Cl)C1 ZINC000679106766 604999456 /nfs/dbraw/zinc/99/94/56/604999456.db2.gz VQAVUISLSSOSMM-NSHDSACASA-N -1 0 348.830 3.784 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000777401061 604999540 /nfs/dbraw/zinc/99/95/40/604999540.db2.gz REJHJHMFDIRMCK-HFBDAHEESA-N -1 0 333.403 3.578 20 0 EHADRM C[C@@H](N[C@H](C(=O)[O-])c1cccnc1)c1nc(-c2ccccc2)cs1 ZINC000827718465 605000258 /nfs/dbraw/zinc/00/02/58/605000258.db2.gz SORHHVZDAXZSSX-WBMJQRKESA-N -1 0 339.420 3.682 20 0 EHADRM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000659399701 605022301 /nfs/dbraw/zinc/02/23/01/605022301.db2.gz FPQNWKJUCLSDTQ-KUHUBIRLSA-N -1 0 344.455 3.596 20 0 EHADRM CCC[C@H](NC(=O)c1ccc(C2SCCCS2)cc1)C(=O)[O-] ZINC000262168523 605023456 /nfs/dbraw/zinc/02/34/56/605023456.db2.gz QDRPLFJSAQUIJK-ZDUSSCGKSA-N -1 0 339.482 3.538 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(OCCC(=O)[O-])cc1)c1c(F)cccc1F ZINC000833409924 605030212 /nfs/dbraw/zinc/03/02/12/605030212.db2.gz SSLDZXXPUXOFDP-LLVKDONJSA-N -1 0 349.333 3.561 20 0 EHADRM C[C@@H](C(=O)NCCc1ccc(NC(=O)[O-])cc1)c1c(F)cccc1F ZINC000833403865 605030387 /nfs/dbraw/zinc/03/03/87/605030387.db2.gz DWJPIIOEIPBFTN-LLVKDONJSA-N -1 0 348.349 3.517 20 0 EHADRM CCC[C@H](C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1)C(C)C ZINC000833647322 605030702 /nfs/dbraw/zinc/03/07/02/605030702.db2.gz BTPSLSKTFXHKCX-NSHDSACASA-N -1 0 335.429 3.847 20 0 EHADRM C[C@H](OC(=O)CC(C)(C)CC(=O)[O-])c1ccccc1Br ZINC000833531387 605033990 /nfs/dbraw/zinc/03/39/90/605033990.db2.gz XSZCGNOVBMKZDW-JTQLQIEISA-N -1 0 343.217 3.944 20 0 EHADRM C[C@@H](OC(=O)CC(C)(C)CC(=O)[O-])c1ccccc1Br ZINC000833531397 605034062 /nfs/dbraw/zinc/03/40/62/605034062.db2.gz XSZCGNOVBMKZDW-SNVBAGLBSA-N -1 0 343.217 3.944 20 0 EHADRM C[C@@H](C(=O)OCc1ccc(C(=O)[O-])c(F)c1)c1c(F)cccc1F ZINC000833408620 605035867 /nfs/dbraw/zinc/03/58/67/605035867.db2.gz FGNVDTMKEXNOBN-SECBINFHSA-N -1 0 338.281 3.649 20 0 EHADRM C[C@@H](C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21)c1c(F)cccc1F ZINC000833402605 605039359 /nfs/dbraw/zinc/03/93/59/605039359.db2.gz QXEDKDFYOFEVLT-NEPJUHHUSA-N -1 0 345.345 3.673 20 0 EHADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)C/C=C/c1ccc(C(C)C)cc1 ZINC000833503656 605047478 /nfs/dbraw/zinc/04/74/78/605047478.db2.gz HRCJJHFRBJVQFJ-DKFQHHCZSA-N -1 0 347.455 3.550 20 0 EHADRM CC(C)[C@@H]1C[C@H](CC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)CCO1 ZINC000833470903 605074819 /nfs/dbraw/zinc/07/48/19/605074819.db2.gz MKPTZLSGFOVRFF-WBVHZDCISA-N -1 0 348.443 3.576 20 0 EHADRM C[C@H](OC(=O)CCc1ccc(C(=O)[O-])cc1)c1nc2ccccc2o1 ZINC000833530406 605090354 /nfs/dbraw/zinc/09/03/54/605090354.db2.gz SSMQSOFPNXCYER-LBPRGKRZSA-N -1 0 339.347 3.763 20 0 EHADRM C[C@@H](OC(=O)c1ccc(NC(=O)[O-])cc1)c1nc2ccccc2o1 ZINC000833535765 605090382 /nfs/dbraw/zinc/09/03/82/605090382.db2.gz QKTSGUPZOZAUHS-SNVBAGLBSA-N -1 0 326.308 3.836 20 0 EHADRM C[C@H](OC(=O)CCc1ccccc1C(=O)[O-])c1nc2ccccc2o1 ZINC000833527444 605090633 /nfs/dbraw/zinc/09/06/33/605090633.db2.gz CSTJGONZVKWILW-LBPRGKRZSA-N -1 0 339.347 3.763 20 0 EHADRM CN(c1ccccc1NC(=O)C1CCC(C(=O)[O-])CC1)C1CCCC1 ZINC000833698368 605091316 /nfs/dbraw/zinc/09/13/16/605091316.db2.gz UUFKFKJVIDTQEX-UHFFFAOYSA-N -1 0 344.455 3.895 20 0 EHADRM Cc1[nH]c2c(cc(C)cc2CNC(=O)CC(C)(C)CC(=O)[O-])c1C ZINC000683320233 605105291 /nfs/dbraw/zinc/10/52/91/605105291.db2.gz MZXUKKUCECZXIX-UHFFFAOYSA-N -1 0 330.428 3.600 20 0 EHADRM C[C@@H]1CN(C(=O)C2CCC(C(=O)[O-])CC2)CC[C@@H]1c1ccccc1 ZINC000194423600 605113533 /nfs/dbraw/zinc/11/35/33/605113533.db2.gz KNWQPUFTWXDGSB-LTDKPHRXSA-N -1 0 329.440 3.530 20 0 EHADRM C[C@@H]1CN(C(=O)C2CCC(C(=O)[O-])CC2)CC[C@H]1c1ccccc1 ZINC000194423631 605113668 /nfs/dbraw/zinc/11/36/68/605113668.db2.gz KNWQPUFTWXDGSB-AGERRDQYSA-N -1 0 329.440 3.530 20 0 EHADRM CN(C(=O)c1cncc(C(=O)[O-])c1)C1c2ccccc2-c2ccccc21 ZINC000833688679 605116294 /nfs/dbraw/zinc/11/62/94/605116294.db2.gz WRAOFZDIVVHEDG-UHFFFAOYSA-N -1 0 344.370 3.622 20 0 EHADRM C[C@H](OC(=O)CCSCC(=O)[O-])c1cc(Cl)ccc1Cl ZINC000833528420 605116716 /nfs/dbraw/zinc/11/67/16/605116716.db2.gz JFCFYBPUWVTLPD-QMMMGPOBSA-N -1 0 337.224 3.806 20 0 EHADRM CC1(C)CCc2ccccc2[C@H]1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263270016 605124293 /nfs/dbraw/zinc/12/42/93/605124293.db2.gz RMNGRDLXJLEDCW-VMBOVVBDSA-N -1 0 344.455 3.643 20 0 EHADRM Cc1sc(NC(=O)c2ccc(N(C)C)cc2F)c(C(=O)[O-])c1C ZINC000833758465 605140432 /nfs/dbraw/zinc/14/04/32/605140432.db2.gz YUILKTRVVCAUGI-UHFFFAOYSA-N -1 0 336.388 3.521 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNC1(c2ccc(F)cc2F)CCC1 ZINC000833680222 605145906 /nfs/dbraw/zinc/14/59/06/605145906.db2.gz FIWKFHOHIVJFIL-UHFFFAOYSA-N -1 0 335.350 3.987 20 0 EHADRM CC(C)(C)C[C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)[O-] ZINC000833429487 605149259 /nfs/dbraw/zinc/14/92/59/605149259.db2.gz LOPUGPCMLJVIOM-CYBMUJFWSA-N -1 0 349.456 3.778 20 0 EHADRM C[C@H]1CC[C@H](C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)C1 ZINC000833602105 605157610 /nfs/dbraw/zinc/15/76/10/605157610.db2.gz PDPQEZCBZKKBLF-IUCAKERBSA-N -1 0 326.190 3.522 20 0 EHADRM C[C@H]1CCC[C@@H](OCCCCCC(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC000833608078 605171914 /nfs/dbraw/zinc/17/19/14/605171914.db2.gz LUQUYUXMOZNGLW-WMLDXEAASA-N -1 0 348.443 3.874 20 0 EHADRM CCC(CC)n1ccc(-c2nc([C@@H](CC(C)C)NC(=O)[O-])no2)n1 ZINC000826574845 605179087 /nfs/dbraw/zinc/17/90/87/605179087.db2.gz ATSAODOLVXUAGW-CYBMUJFWSA-N -1 0 335.408 3.649 20 0 EHADRM COc1ccccc1N(C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833736728 605205943 /nfs/dbraw/zinc/20/59/43/605205943.db2.gz VUHXSOZZASNNGB-UHFFFAOYSA-N -1 0 338.363 3.685 20 0 EHADRM CC[C@H](C)Oc1cc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)ccn1 ZINC000431354325 605213475 /nfs/dbraw/zinc/21/34/75/605213475.db2.gz YDHYRMNJRMELFH-JTQLQIEISA-N -1 0 348.786 3.863 20 0 EHADRM CC[C@@H](C)Oc1cc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)ccn1 ZINC000431354328 605213509 /nfs/dbraw/zinc/21/35/09/605213509.db2.gz YDHYRMNJRMELFH-SNVBAGLBSA-N -1 0 348.786 3.863 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-] ZINC000833384210 605225423 /nfs/dbraw/zinc/22/54/23/605225423.db2.gz ANUFMKZVZKNTDB-ZQHYZAEZSA-N -1 0 341.382 3.731 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@@H]1CCc2c1cccc2Cl ZINC000833696355 605231839 /nfs/dbraw/zinc/23/18/39/605231839.db2.gz JYSPFFIJCPJWKQ-MRXNPFEDSA-N -1 0 343.810 3.727 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000833428004 605233609 /nfs/dbraw/zinc/23/36/09/605233609.db2.gz NRYBBFNOXFNOOQ-NSHDSACASA-N -1 0 347.180 3.634 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)c1csc(Br)c1)C(=O)[O-] ZINC000833430144 605233967 /nfs/dbraw/zinc/23/39/67/605233967.db2.gz UJLCEYLWHNNQPE-QMMMGPOBSA-N -1 0 335.219 3.557 20 0 EHADRM O=C([O-])N1CCc2cc(NCc3occc3Br)ccc21 ZINC000832079256 605251086 /nfs/dbraw/zinc/25/10/86/605251086.db2.gz HAVZMXHCUDYQTR-UHFFFAOYSA-N -1 0 337.173 3.695 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)N[C@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000833642087 605257847 /nfs/dbraw/zinc/25/78/47/605257847.db2.gz YUJDVUZFDKXLAT-CVEARBPZSA-N -1 0 349.475 3.706 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)N[C@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000833642088 605258058 /nfs/dbraw/zinc/25/80/58/605258058.db2.gz YUJDVUZFDKXLAT-HOTGVXAUSA-N -1 0 349.475 3.706 20 0 EHADRM CC(C)Cn1ncc(NC(=O)Cc2ccccc2C(=O)[O-])c1C(C)C ZINC000833494889 605266859 /nfs/dbraw/zinc/26/68/59/605266859.db2.gz ZJJJHOGRJNDRRW-UHFFFAOYSA-N -1 0 343.427 3.542 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)Cc1ccccc1C(=O)[O-] ZINC000262721157 605267284 /nfs/dbraw/zinc/26/72/84/605267284.db2.gz FAFOQAYMXSXCIB-OLZOCXBDSA-N -1 0 341.382 3.601 20 0 EHADRM CCn1c2ccc(C)cc2nc1NC(=O)c1ccccc1NC(=O)[O-] ZINC000833684333 605275268 /nfs/dbraw/zinc/27/52/68/605275268.db2.gz YJFLLPTYJPJXII-UHFFFAOYSA-N -1 0 338.367 3.707 20 0 EHADRM CCCCn1ncc(NC(=O)Nc2ccc(NC(=O)[O-])c(F)c2)c1C ZINC000833651743 605284376 /nfs/dbraw/zinc/28/43/76/605284376.db2.gz YDBXJYZPQPJTAM-UHFFFAOYSA-N -1 0 349.366 3.865 20 0 EHADRM CC(C)(C)Oc1ccccc1NCc1ccc(OCC(=O)[O-])cc1 ZINC000833446539 605301279 /nfs/dbraw/zinc/30/12/79/605301279.db2.gz AFMZSRMJIYGESW-UHFFFAOYSA-N -1 0 329.396 3.939 20 0 EHADRM C[C@@H](CC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1)n1cccc1 ZINC000580509606 605303684 /nfs/dbraw/zinc/30/36/84/605303684.db2.gz BXOZAVVATBJNEF-LIRRHRJNSA-N -1 0 336.391 3.535 20 0 EHADRM CC(C)Oc1ccccc1CC(=O)OCc1ccc(NC(=O)[O-])cc1 ZINC000833507537 605303747 /nfs/dbraw/zinc/30/37/47/605303747.db2.gz UDUOMMVQSZPNLG-UHFFFAOYSA-N -1 0 343.379 3.850 20 0 EHADRM CC[C@H]1CN(C(=O)c2ccc(C(C)(C)C)s2)CC[C@H]1NC(=O)[O-] ZINC000833851562 605346292 /nfs/dbraw/zinc/34/62/92/605346292.db2.gz PVEPJCDCHLGLKN-NWDGAFQWSA-N -1 0 338.473 3.554 20 0 EHADRM CC(C)NC(=O)N(C)c1ccc(OCc2ccccc2C(=O)[O-])cc1 ZINC000833503338 605352300 /nfs/dbraw/zinc/35/23/00/605352300.db2.gz XCWLQGOPJUSTTH-UHFFFAOYSA-N -1 0 342.395 3.518 20 0 EHADRM CCc1nc([C@H](C)N[C@H](C(=O)[O-])c2c(F)cccc2Cl)cs1 ZINC000833673225 605359078 /nfs/dbraw/zinc/35/90/78/605359078.db2.gz IKIQCTTUDJISSP-RTHLEPHNSA-N -1 0 342.823 3.975 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N(C)C[C@@H]1CC=CCC1)C(=O)[O-] ZINC000630297161 605395192 /nfs/dbraw/zinc/39/51/92/605395192.db2.gz MLLCTEZQTYISTM-UONOGXRCSA-N -1 0 333.453 3.680 20 0 EHADRM CCc1cc(NC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)ccc1C ZINC000327698691 605399332 /nfs/dbraw/zinc/39/93/32/605399332.db2.gz WETFEFHFUSSYBF-UHFFFAOYSA-N -1 0 338.407 3.846 20 0 EHADRM O=C(CC[C@@H]1CCCN1C(=O)[O-])Nc1ccc2oc(C3CC3)nc2c1 ZINC000833996966 605409658 /nfs/dbraw/zinc/40/96/58/605409658.db2.gz PAVCRDDTDSNWCU-ZDUSSCGKSA-N -1 0 343.383 3.566 20 0 EHADRM CC(C)(C)Sc1cc(C(=O)NCc2ccc(C(=O)[O-])cc2)ccn1 ZINC000833448160 605417706 /nfs/dbraw/zinc/41/77/06/605417706.db2.gz NBUQZFHRNGPELA-UHFFFAOYSA-N -1 0 344.436 3.600 20 0 EHADRM CC(C)C[C@H](Nc1nc(Cl)c(C(=O)[O-])s1)C(=O)OC(C)(C)C ZINC000833485018 605420557 /nfs/dbraw/zinc/42/05/57/605420557.db2.gz WMPNJWHCKNKWAB-QMMMGPOBSA-N -1 0 348.852 3.663 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000685019149 605465361 /nfs/dbraw/zinc/46/53/61/605465361.db2.gz KUXCPGDJICAFRC-DOTOQJQBSA-N -1 0 331.456 3.523 20 0 EHADRM Cc1ccc2cc(-c3nc([C@@H](CC(C)C)NC(=O)[O-])no3)ccc2n1 ZINC000830453416 605476784 /nfs/dbraw/zinc/47/67/84/605476784.db2.gz IKLRKDYXBDQJFW-OAHLLOKOSA-N -1 0 340.383 3.948 20 0 EHADRM CC(C)OCCCC(=O)O[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000833503758 605485382 /nfs/dbraw/zinc/48/53/82/605485382.db2.gz PHVQVSUCDLXMPP-CQSZACIVSA-N -1 0 349.210 3.868 20 0 EHADRM Cc1nc([C@@H](C)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)c(C)s1 ZINC000830710160 605513762 /nfs/dbraw/zinc/51/37/62/605513762.db2.gz ZQFIDGGLIPOVCA-GHMZBOCLSA-N -1 0 333.457 3.939 20 0 EHADRM C[C@H](OC(=O)Cc1ccccc1C(=O)[O-])c1cnc2ccccc2c1 ZINC000833529222 605521057 /nfs/dbraw/zinc/52/10/57/605521057.db2.gz BKXYZYUDMAPLSK-ZDUSSCGKSA-N -1 0 335.359 3.780 20 0 EHADRM COc1ccc(NC(=O)c2cnc(C(C)C)s2)cc1NC(=O)[O-] ZINC000829474826 605528377 /nfs/dbraw/zinc/52/83/77/605528377.db2.gz RLBNXTPDVNUNBA-UHFFFAOYSA-N -1 0 335.385 3.617 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)N1CC[C@@H](NC(=O)[O-])C[C@H]1C)C(C)C ZINC000830553156 605531065 /nfs/dbraw/zinc/53/10/65/605531065.db2.gz FTVHHXBSCZYMIV-BFYDXBDKSA-N -1 0 347.459 3.522 20 0 EHADRM CC(C)c1ncc(C(=O)NCc2ccc([C@H](C)NC(=O)[O-])cc2)s1 ZINC000824495143 605531791 /nfs/dbraw/zinc/53/17/91/605531791.db2.gz GXEWNHKCXMRBCJ-NSHDSACASA-N -1 0 347.440 3.525 20 0 EHADRM O=C([O-])N[C@H](CC(=O)Oc1cccc2ncccc21)c1ccccc1 ZINC000834130755 605579884 /nfs/dbraw/zinc/57/98/84/605579884.db2.gz RLAZVTILBXQOCD-MRXNPFEDSA-N -1 0 336.347 3.539 20 0 EHADRM Cc1cc(C)c(NC(=O)C[C@@H](NC(=O)[O-])c2ccccc2)c(C)c1 ZINC000829991154 605595206 /nfs/dbraw/zinc/59/52/06/605595206.db2.gz OPYDUJQNNNQTGX-MRXNPFEDSA-N -1 0 326.396 3.949 20 0 EHADRM Cc1ncc(-c2ccc(NC3C[C@H]4CC[C@@H](C3)N4C(=O)[O-])cc2)o1 ZINC000833916809 605597034 /nfs/dbraw/zinc/59/70/34/605597034.db2.gz YYNYECXKRJSBSP-MQVJKMGUSA-N -1 0 327.384 3.735 20 0 EHADRM Cc1cc(C(=O)N[C@@H](C)c2c(F)cccc2F)ccc1NC(=O)[O-] ZINC000829940099 605597155 /nfs/dbraw/zinc/59/71/55/605597155.db2.gz JWYUNSLXZYEEOG-JTQLQIEISA-N -1 0 334.322 3.854 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(-n3cccn3)c2)ccc1NC(=O)[O-] ZINC000829965774 605618017 /nfs/dbraw/zinc/61/80/17/605618017.db2.gz IPKFAWLZEDVLNG-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM O=C([O-])N[C@H](CC(=O)Nc1ccccc1-c1cccs1)C1CC1 ZINC000834131944 605622982 /nfs/dbraw/zinc/62/29/82/605622982.db2.gz YHTISEWUSZNCLO-CQSZACIVSA-N -1 0 330.409 3.790 20 0 EHADRM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000833606783 605631832 /nfs/dbraw/zinc/63/18/32/605631832.db2.gz VULMQDTYURPOLJ-KOLCDFICSA-N -1 0 330.306 3.580 20 0 EHADRM Cc1cc(C(=O)NCc2ccccc2OC(C)C)ccc1NC(=O)[O-] ZINC000829957160 605632668 /nfs/dbraw/zinc/63/26/68/605632668.db2.gz YKQLOZPBROIXKX-UHFFFAOYSA-N -1 0 342.395 3.802 20 0 EHADRM Cc1cc(C(=O)N[C@@H](C)Cc2ccccc2F)ccc1NC(=O)[O-] ZINC000829941631 605635654 /nfs/dbraw/zinc/63/56/54/605635654.db2.gz WKTMSAWLZFQLTG-LBPRGKRZSA-N -1 0 330.359 3.585 20 0 EHADRM CSc1ccc(CNC(=O)c2ccc(NC(=O)[O-])c(C)c2)cc1 ZINC000829760778 605639867 /nfs/dbraw/zinc/63/98/67/605639867.db2.gz QRRDAMNULQXWSR-UHFFFAOYSA-N -1 0 330.409 3.737 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)ccc1NC(=O)[O-] ZINC000829961219 605643818 /nfs/dbraw/zinc/64/38/18/605643818.db2.gz CYDPLFUUJKJOLC-UHFFFAOYSA-N -1 0 336.351 3.727 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)c2cnc(-c3cccnc3)s2)cc1 ZINC000834263183 605672715 /nfs/dbraw/zinc/67/27/15/605672715.db2.gz ZLLOSZBYDCTICK-UHFFFAOYSA-N -1 0 341.348 3.514 20 0 EHADRM O=C([O-])N1CCc2cccc(CNc3ccccc3N3CCCC3)c21 ZINC000834121994 605689376 /nfs/dbraw/zinc/68/93/76/605689376.db2.gz VUQSPPHJVBOXHO-UHFFFAOYSA-N -1 0 337.423 3.939 20 0 EHADRM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000833605727 605711258 /nfs/dbraw/zinc/71/12/58/605711258.db2.gz LCFRMYGTAMHDST-PSASIEDQSA-N -1 0 348.296 3.719 20 0 EHADRM COc1cccc2c1CC[C@@H]2NC(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000829579602 605711499 /nfs/dbraw/zinc/71/14/99/605711499.db2.gz BXBUIPJDRICFOQ-INIZCTEOSA-N -1 0 340.379 3.511 20 0 EHADRM Cc1noc(C)c1[C@H](C)Cc1nc([C@H]2CCCCCN2C(=O)[O-])no1 ZINC000833926977 605719966 /nfs/dbraw/zinc/71/99/66/605719966.db2.gz AKKHCZHYDWVQJY-ZWNOBZJWSA-N -1 0 348.403 3.616 20 0 EHADRM O=C([O-])N[C@H]1CC[C@H](OC(=O)c2cccc(-c3cscn3)c2)CC1 ZINC000834253459 605739571 /nfs/dbraw/zinc/73/95/71/605739571.db2.gz QXHUIRYVZXRDDE-HDJSIYSDSA-N -1 0 346.408 3.546 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N(Cc2ccc(F)cc2)C2CC2)c1 ZINC000834265201 605756923 /nfs/dbraw/zinc/75/69/23/605756923.db2.gz SSDWDHJQTVXJOP-UHFFFAOYSA-N -1 0 342.370 3.649 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)Nc2ccccc2N2CCCC2)c1 ZINC000834266326 605762550 /nfs/dbraw/zinc/76/25/50/605762550.db2.gz ODTKJFFWGNIPDO-UHFFFAOYSA-N -1 0 339.395 3.558 20 0 EHADRM CCCCCOc1ccc(C(=O)N2CC[C@H](NC(=O)[O-])C[C@@H]2C)cc1 ZINC000826826083 605776115 /nfs/dbraw/zinc/77/61/15/605776115.db2.gz OFJLMPCOLFQJDV-HOCLYGCPSA-N -1 0 348.443 3.516 20 0 EHADRM CCNC(=O)c1ccc(C)c(NCc2cc(C(=O)[O-])ccc2Cl)c1 ZINC000833657897 605784205 /nfs/dbraw/zinc/78/42/05/605784205.db2.gz UBELZPJXWBVGQA-UHFFFAOYSA-N -1 0 346.814 3.708 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)OCc2ccc3ccccc3n2)c1 ZINC000834269266 605798115 /nfs/dbraw/zinc/79/81/15/605798115.db2.gz WAVNKJWJYJNIDO-UHFFFAOYSA-N -1 0 336.347 3.611 20 0 EHADRM Cc1cc(C(=O)NCCCOC2CCCCC2)ccc1NC(=O)[O-] ZINC000829950908 605803744 /nfs/dbraw/zinc/80/37/44/605803744.db2.gz SUDMTHAULTWACV-UHFFFAOYSA-N -1 0 334.416 3.554 20 0 EHADRM C[C@H]1CN(Cc2cc(C(=O)[O-])ccc2F)C[C@@H](c2ccsc2)O1 ZINC000833630898 605838770 /nfs/dbraw/zinc/83/87/70/605838770.db2.gz YOMLICZIEZIVTR-ZBEGNZNMSA-N -1 0 335.400 3.547 20 0 EHADRM O=C([O-])NCCCCC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000834235686 605896300 /nfs/dbraw/zinc/89/63/00/605896300.db2.gz FCJQPWXBAGLVER-MRXNPFEDSA-N -1 0 338.835 3.735 20 0 EHADRM C[C@@H](c1ccccc1)c1ccc(OC(=O)c2cc(C(=O)[O-])no2)cc1 ZINC000833548974 605904529 /nfs/dbraw/zinc/90/45/29/605904529.db2.gz NZHJQICAZHAGRI-LBPRGKRZSA-N -1 0 337.331 3.744 20 0 EHADRM O=C([O-])N1CCc2ccc(NCc3cnoc3-c3ccco3)cc2C1 ZINC000834122967 605992866 /nfs/dbraw/zinc/99/28/66/605992866.db2.gz MVPBAZFDPQTOKY-UHFFFAOYSA-N -1 0 339.351 3.583 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000833906720 606005705 /nfs/dbraw/zinc/00/57/05/606005705.db2.gz YPRSVAMAJFRSPJ-UHFFFAOYSA-N -1 0 348.742 3.719 20 0 EHADRM O=C([O-])N[C@H](CC(F)F)C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000834133119 606013539 /nfs/dbraw/zinc/01/35/39/606013539.db2.gz IZIHHAFDJJYQQO-GFCCVEGCSA-N -1 0 348.305 3.816 20 0 EHADRM O=C([O-])N[C@H](CC(F)F)C(=O)N(Cc1ccccc1)c1ccccc1 ZINC000834128189 606017153 /nfs/dbraw/zinc/01/71/53/606017153.db2.gz JGQZEQYKQRWHRY-OAHLLOKOSA-N -1 0 348.349 3.511 20 0 EHADRM O=C([O-])Nc1ccc(OC[C@H](O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000834262860 606039520 /nfs/dbraw/zinc/03/95/20/606039520.db2.gz WWGBIFTZJIYLHJ-AWEZNQCLSA-N -1 0 341.285 3.908 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N[C@H](CC1CC1)c1ccccc1 ZINC000834271645 606064651 /nfs/dbraw/zinc/06/46/51/606064651.db2.gz JUHCURNBKHVQGR-GOSISDBHSA-N -1 0 338.407 3.977 20 0 EHADRM COc1ccc(NC(=O)Cc2ccccc2SC)cc1NC(=O)[O-] ZINC000833888588 606080936 /nfs/dbraw/zinc/08/09/36/606080936.db2.gz CRVMBBNYYKQTMV-UHFFFAOYSA-N -1 0 346.408 3.688 20 0 EHADRM O=C([O-])[C@]1(NC(=O)Nc2ccc(Cl)c(F)c2)CCc2ccccc21 ZINC000684744087 939046065 /nfs/dbraw/zinc/04/60/65/939046065.db2.gz FZDAPCIWIYPBKW-KRWDZBQOSA-N -1 0 348.761 3.527 20 0 EHADRM C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NC1(C(=O)[O-])CCC1 ZINC000237532674 939047216 /nfs/dbraw/zinc/04/72/16/939047216.db2.gz APSLKAQWPMOVOV-QMMMGPOBSA-N -1 0 348.251 3.598 20 0 EHADRM Cc1c(C(=O)NC2(C(=O)[O-])CCCCC2)oc2c1c(C)ccc2C ZINC000237663290 939047737 /nfs/dbraw/zinc/04/77/37/939047737.db2.gz OHKUGZSMWYMWDZ-UHFFFAOYSA-N -1 0 329.396 3.875 20 0 EHADRM Cc1cc(C(=O)NC2(C(=O)[O-])CCCC2)c(C)n1C1CCCCC1 ZINC000237712152 939048393 /nfs/dbraw/zinc/04/83/93/939048393.db2.gz USFOVJNVHKIBGF-UHFFFAOYSA-N -1 0 332.444 3.737 20 0 EHADRM O=C([O-])[C@@]1(NC(=O)c2ccc(C3CCC3)cc2)CCc2ccccc21 ZINC000685019266 939052528 /nfs/dbraw/zinc/05/25/28/939052528.db2.gz ANMUSOGEXBYDRB-OAQYLSRUSA-N -1 0 335.403 3.610 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl)c1ccccc1 ZINC000238002965 939053808 /nfs/dbraw/zinc/05/38/08/939053808.db2.gz UXPSNGODODBESG-HSMVNMDESA-N -1 0 347.773 3.525 20 0 EHADRM C[C@@](NC(=O)C1CCCC1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000262870458 939081879 /nfs/dbraw/zinc/08/18/79/939081879.db2.gz BIGMQTOPNGSPDQ-HNNXBMFYSA-N -1 0 330.211 3.600 20 0 EHADRM C/C(=C\C(=O)N[C@H](C(=O)[O-])c1ccccc1F)c1ccccc1Cl ZINC000776666742 939103935 /nfs/dbraw/zinc/10/39/35/939103935.db2.gz VMUGDZSDZJTLAY-DVQDXYAYSA-N -1 0 347.773 3.825 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC000263520879 939114236 /nfs/dbraw/zinc/11/42/36/939114236.db2.gz HCOVMFICMUYADB-KRWDZBQOSA-N -1 0 329.396 3.884 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000263535378 939114824 /nfs/dbraw/zinc/11/48/24/939114824.db2.gz OIUWYEWQHGWSML-HNNXBMFYSA-N -1 0 335.787 3.921 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000314916721 939120649 /nfs/dbraw/zinc/12/06/49/939120649.db2.gz MQCWSSPXAFLHKQ-CYBMUJFWSA-N -1 0 339.178 3.941 20 0 EHADRM C[C@H](NC(=O)N[C@H](C(=O)[O-])c1ccccc1)c1ccccc1Cl ZINC000321587636 939124186 /nfs/dbraw/zinc/12/41/86/939124186.db2.gz PMUSJIWSENXAES-NHYWBVRUSA-N -1 0 332.787 3.526 20 0 EHADRM CCC1CCC(NC(=O)c2cc(SC)ccc2C)(C(=O)[O-])CC1 ZINC000320747210 939124221 /nfs/dbraw/zinc/12/42/21/939124221.db2.gz ZRVMGNMAQYPJBB-UHFFFAOYSA-N -1 0 335.469 3.870 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000327616832 939127643 /nfs/dbraw/zinc/12/76/43/939127643.db2.gz NGLGGERBKAHJMM-IBGZPJMESA-N -1 0 341.338 3.610 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cccc(Cl)c1)c1ccc(Cl)c(F)c1 ZINC000345778574 939128281 /nfs/dbraw/zinc/12/82/81/939128281.db2.gz BBUTZDJIMULCCK-ZDUSSCGKSA-N -1 0 342.153 3.688 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CCC1CCCC1)c1ccc(Cl)c(F)c1 ZINC000345798740 939128440 /nfs/dbraw/zinc/12/84/40/939128440.db2.gz IJGHLZAASVLOPA-HNNXBMFYSA-N -1 0 327.783 3.691 20 0 EHADRM CCCc1nc(C)c(C(=O)NC2(C(=O)[O-])CCC(CC)CC2)s1 ZINC000345993957 939128458 /nfs/dbraw/zinc/12/84/58/939128458.db2.gz LIJMMXNFDDQNBL-UHFFFAOYSA-N -1 0 338.473 3.557 20 0 EHADRM CC(C)c1cccc(-c2ccc(C(=O)N[C@@H](C(=O)[O-])C3CC3)o2)c1 ZINC000431459737 939152064 /nfs/dbraw/zinc/15/20/64/939152064.db2.gz SWXFLFCRGMZQML-QGZVFWFLSA-N -1 0 327.380 3.663 20 0 EHADRM CC[C@@](NC(=O)C=C(C1CC1)C1CC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000795539762 939156799 /nfs/dbraw/zinc/15/67/99/939156799.db2.gz KIFQASKBQOQZNR-IBGZPJMESA-N -1 0 347.842 3.893 20 0 EHADRM Cc1cc(C)cc([C@H](C)NC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000797720223 939181615 /nfs/dbraw/zinc/18/16/15/939181615.db2.gz GTPXCJKQTJCACQ-YWZLYKJASA-N -1 0 340.423 3.664 20 0 EHADRM CCSc1ccc(C(=O)N[C@](CC)(C(=O)[O-])c2ccccc2)cc1 ZINC000439901673 939202985 /nfs/dbraw/zinc/20/29/85/939202985.db2.gz ZPHGDPCQXDPPEV-IBGZPJMESA-N -1 0 343.448 3.919 20 0 EHADRM CC[C@](NC(=O)[C@H](C)Cc1ccc(C)cc1)(C(=O)[O-])c1ccccc1 ZINC000439900576 939203123 /nfs/dbraw/zinc/20/31/23/939203123.db2.gz XQGRRUSVGBHLOU-IIBYNOLFSA-N -1 0 339.435 3.680 20 0 EHADRM CC[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000447897789 939204685 /nfs/dbraw/zinc/20/46/85/939204685.db2.gz PCTXFHALWKATOE-XJKSGUPXSA-N -1 0 349.789 3.915 20 0 EHADRM Cc1ccc([C@@H](NC(=O)[C@@H]2CCCc3sccc32)C(=O)[O-])cc1C ZINC000448992647 939205752 /nfs/dbraw/zinc/20/57/52/939205752.db2.gz MACVJOUALYVBNL-NVXWUHKLSA-N -1 0 343.448 3.727 20 0 EHADRM CCCCCc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccccn2)cc1 ZINC000797755614 939209956 /nfs/dbraw/zinc/20/99/56/939209956.db2.gz KXHDLBBWHZTHHK-KRWDZBQOSA-N -1 0 341.411 3.762 20 0 EHADRM C[C@@H](CCC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F)c1ccccc1 ZINC000828080878 939220022 /nfs/dbraw/zinc/22/00/22/939220022.db2.gz JJVSCIGJBFHDPU-SGTLLEGYSA-N -1 0 347.361 3.791 20 0 EHADRM CC(C)(C)Oc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2cccs2)c1 ZINC000900351858 939279362 /nfs/dbraw/zinc/27/93/62/939279362.db2.gz UOEIQGUXIHQPIZ-CQSZACIVSA-N -1 0 348.424 3.873 20 0 EHADRM CCC1(CNC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC000562458936 939331545 /nfs/dbraw/zinc/33/15/45/939331545.db2.gz JPEMSWRJUKVBKT-LBPRGKRZSA-N -1 0 345.226 3.609 20 0 EHADRM CSCc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC000562462775 939333768 /nfs/dbraw/zinc/33/37/68/939333768.db2.gz FAMZGZKGLRLQLI-CYBMUJFWSA-N -1 0 336.438 3.559 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1ccc(C2CCC2)cc1)c1cccs1 ZINC000571401731 939391319 /nfs/dbraw/zinc/39/13/19/939391319.db2.gz ZDFJHDXJILRCES-HNNXBMFYSA-N -1 0 330.409 3.963 20 0 EHADRM CCC1CCC(NC(=O)CC2CC(OC(C)(C)C)C2)(C(=O)[O-])CC1 ZINC000909316618 939392765 /nfs/dbraw/zinc/39/27/65/939392765.db2.gz JVNWDVWTISOQJT-UHFFFAOYSA-N -1 0 339.476 3.510 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(O)cc2)cc1 ZINC000573053929 939404698 /nfs/dbraw/zinc/40/46/98/939404698.db2.gz KXRWLQZRWHXAMG-MRXNPFEDSA-N -1 0 342.395 3.637 20 0 EHADRM CCOc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(C)c(C)c2)cc1 ZINC000573997495 939723011 /nfs/dbraw/zinc/72/30/11/939723011.db2.gz SSUBEMOZVVBYJY-KRWDZBQOSA-N -1 0 342.395 3.650 20 0 EHADRM Cc1cc([C@@H](NC(=O)CC(C)(C)CC(F)(F)F)C(=O)[O-])ccc1F ZINC000909792822 939730652 /nfs/dbraw/zinc/73/06/52/939730652.db2.gz AFIYAGHMJGBPNI-CYBMUJFWSA-N -1 0 349.324 3.745 20 0 EHADRM Cc1cc(C)cc([C@@H](NC(=O)CC(C)(C)CC(F)F)C(=O)[O-])c1 ZINC000909795304 939734013 /nfs/dbraw/zinc/73/40/13/939734013.db2.gz XMSHLUQBXMWPRN-OAHLLOKOSA-N -1 0 327.371 3.617 20 0 EHADRM CSc1cccc(NC(=O)N[C@H](C(=O)[O-])c2cccc(C)c2C)c1 ZINC000576454824 939739024 /nfs/dbraw/zinc/73/90/24/939739024.db2.gz KYVIGVRPWREGJV-INIZCTEOSA-N -1 0 344.436 3.973 20 0 EHADRM CC(C)(C)c1ccc(CNC(=O)N[C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC000580509438 939771172 /nfs/dbraw/zinc/77/11/72/939771172.db2.gz NBRUYPZWBXDKKZ-OAHLLOKOSA-N -1 0 346.452 3.671 20 0 EHADRM Cc1cccc([C@@H](NC(=O)Nc2ccc(F)cc2F)C(=O)[O-])c1C ZINC000581861464 939780658 /nfs/dbraw/zinc/78/06/58/939780658.db2.gz PTZDQBWDDOGULY-OAHLLOKOSA-N -1 0 334.322 3.529 20 0 EHADRM CC(C)c1cccc(O[C@H](C)C(=O)N[C@H](C(=O)[O-])c2ccsc2)c1 ZINC000582015059 939781270 /nfs/dbraw/zinc/78/12/70/939781270.db2.gz ZAIJQMIEQZJLRW-WBMJQRKESA-N -1 0 347.436 3.581 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000914730824 939782886 /nfs/dbraw/zinc/78/28/86/939782886.db2.gz IVTMAWSWASSSCX-UHFFFAOYSA-N -1 0 347.436 3.813 20 0 EHADRM C[C@@H](CC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1)C(F)(F)F ZINC000630162704 939813022 /nfs/dbraw/zinc/81/30/22/939813022.db2.gz OOUMMTUURCRNKZ-BONVTDFDSA-N -1 0 339.313 3.670 20 0 EHADRM Cc1cccc2sc(C(=O)NC3(C(=O)[O-])CCCC3)c(Cl)c21 ZINC000642146471 939825087 /nfs/dbraw/zinc/82/50/87/939825087.db2.gz GXUDYKYPGHCAKQ-UHFFFAOYSA-N -1 0 337.828 3.990 20 0 EHADRM CC[C@H](CC(=O)N[C@H](C(=O)[O-])c1cccc(OC)c1)c1ccccc1 ZINC000659175255 939848965 /nfs/dbraw/zinc/84/89/65/939848965.db2.gz MDSZEOAWWYHGKS-KUHUBIRLSA-N -1 0 341.407 3.521 20 0 EHADRM Cc1c(COc2ccccc2)cccc1NC(=O)[C@H](C(=O)[O-])C1CC1 ZINC000663090983 939854179 /nfs/dbraw/zinc/85/41/79/939854179.db2.gz FLMFXBAPGFWUPB-GOSISDBHSA-N -1 0 339.391 3.623 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1nc(-c2cccc(Cl)c2)cs1)C1CC1 ZINC000663101549 939854715 /nfs/dbraw/zinc/85/47/15/939854715.db2.gz SNBJMZBZAXGJDD-LBPRGKRZSA-N -1 0 336.800 3.513 20 0 EHADRM C[C@@H]1CCc2c(C(=O)N[C@H](C(=O)[O-])c3ccccc3F)csc2C1 ZINC000678987178 939869287 /nfs/dbraw/zinc/86/92/87/939869287.db2.gz PTADMOGHBKSXKM-HWPZZCPQSA-N -1 0 347.411 3.568 20 0 EHADRM CC[C@H](NC(=O)N[C@H](C(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC000679541197 939869799 /nfs/dbraw/zinc/86/97/99/939869799.db2.gz JPTJUAGSUZBXCP-HOTGVXAUSA-N -1 0 346.814 3.916 20 0 EHADRM Cc1cc(Cl)c(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc1C ZINC000683308367 939870433 /nfs/dbraw/zinc/87/04/33/939870433.db2.gz QWSMJPXZCADXBG-SFHVURJKSA-N -1 0 331.799 3.687 20 0 EHADRM Cc1cc(Cl)c(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cc1C ZINC000683320278 939870973 /nfs/dbraw/zinc/87/09/73/939870973.db2.gz VMZSUTXFMZXMCC-OAHLLOKOSA-N -1 0 335.762 3.652 20 0 EHADRM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCN(c2ccccc2Cl)CC1 ZINC000321443944 970771478 /nfs/dbraw/zinc/77/14/78/970771478.db2.gz RLLIDLHHJJIURJ-LBPRGKRZSA-N -1 0 334.803 3.514 20 0 EHADRM CCc1cc(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)cc(Cl)n1 ZINC000321636958 970791960 /nfs/dbraw/zinc/79/19/60/970791960.db2.gz JNDFTIFFZUCPCE-UHFFFAOYSA-N -1 0 340.713 3.526 20 0 EHADRM N#Cc1ccc(NC(=O)NC2(CC(=O)[O-])CCCCC2)cc1Cl ZINC000321789596 970807359 /nfs/dbraw/zinc/80/73/59/970807359.db2.gz RDJXNAXOYHEDOE-UHFFFAOYSA-N -1 0 335.791 3.511 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CCSc1ccccc1 ZINC000322046272 970841201 /nfs/dbraw/zinc/84/12/01/970841201.db2.gz ADBRSAUKIGECHF-UHFFFAOYSA-N -1 0 329.421 3.526 20 0 EHADRM O=C([O-])Cc1occc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000322173066 970856478 /nfs/dbraw/zinc/85/64/78/970856478.db2.gz ABRBUUGZGQIBIC-UHFFFAOYSA-N -1 0 347.676 3.831 20 0 EHADRM CC[C@H](NC(=O)Cc1ccccc1C(=O)[O-])c1cccc(Cl)c1 ZINC000322392620 970881594 /nfs/dbraw/zinc/88/15/94/970881594.db2.gz MUHJQDLEAFRCCN-INIZCTEOSA-N -1 0 331.799 3.848 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc(Cl)ccc2F)c2ccccc21 ZINC000322382822 970879823 /nfs/dbraw/zinc/87/98/23/970879823.db2.gz NRQNYHMMZWUADB-GFCCVEGCSA-N -1 0 333.746 3.698 20 0 EHADRM C[C@H]1CCN(Cc2coc(-c3ccc(Cl)cc3)n2)[C@H](C(=O)[O-])C1 ZINC000322774633 970928254 /nfs/dbraw/zinc/92/82/54/970928254.db2.gz KJTYXKIOUFRXPE-NHYWBVRUSA-N -1 0 334.803 3.680 20 0 EHADRM O=C([O-])C1CCC(NC(=O)CC2(CSc3ccccc3)CC2)CC1 ZINC001601247119 970966333 /nfs/dbraw/zinc/96/63/33/970966333.db2.gz OJJYHJZWRKVNLX-UHFFFAOYSA-N -1 0 347.480 3.709 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)Cn1c(C)cc2ccccc21 ZINC000323808395 971040830 /nfs/dbraw/zinc/04/08/30/971040830.db2.gz HOKCFHWMMVSCEM-UHFFFAOYSA-N -1 0 328.393 3.657 20 0 EHADRM CCC1CCC(NC(=O)c2csc(-c3ccco3)n2)(C(=O)[O-])CC1 ZINC000323930970 971060863 /nfs/dbraw/zinc/06/08/63/971060863.db2.gz ZDOVCKDUWHTGNA-UHFFFAOYSA-N -1 0 348.424 3.557 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2cc(C(F)F)ccc2F)Cc2ccccc21 ZINC001601844787 971072248 /nfs/dbraw/zinc/07/22/48/971072248.db2.gz CYRZBUSKISBCHB-AWEZNQCLSA-N -1 0 349.308 3.588 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)c(Cl)c1 ZINC000324067875 971079794 /nfs/dbraw/zinc/07/97/94/971079794.db2.gz DYZLRBIEHCROAP-INIZCTEOSA-N -1 0 331.799 3.984 20 0 EHADRM COc1cccc(/C=C\C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)c1 ZINC000324156734 971090569 /nfs/dbraw/zinc/09/05/69/971090569.db2.gz ZCTVWUIVZGIVCC-HJWRWDBZSA-N -1 0 343.404 3.596 20 0 EHADRM Cc1cc(C(=O)N2C[C@H](C(=O)[O-])Cc3ccccc32)ccc1Cl ZINC000324167787 971091375 /nfs/dbraw/zinc/09/13/75/971091375.db2.gz JVERAIRBWGICBJ-CQSZACIVSA-N -1 0 329.783 3.552 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cccc(OC(F)F)c2)c(F)cc1F ZINC000324183116 971093894 /nfs/dbraw/zinc/09/38/94/971093894.db2.gz IGRNZKYYXVAXLU-UHFFFAOYSA-N -1 0 343.232 3.517 20 0 EHADRM O=C([O-])Cc1noc(-c2csc(-c3cccc4ccccc43)n2)n1 ZINC001611519807 971096084 /nfs/dbraw/zinc/09/60/84/971096084.db2.gz VPJXTZITBIYJIZ-UHFFFAOYSA-N -1 0 337.360 3.640 20 0 EHADRM C[C@H]1CCC[C@H](CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000324230038 971098731 /nfs/dbraw/zinc/09/87/31/971098731.db2.gz GZASVOIEFNOJOB-UWVGGRQHSA-N -1 0 326.343 3.611 20 0 EHADRM Cc1ccccc1OCCCC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000324276077 971104694 /nfs/dbraw/zinc/10/46/94/971104694.db2.gz ZRAXEAOTFHSVJC-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2cc(-c3cccs3)on2)CCCCC1 ZINC000324375163 971113781 /nfs/dbraw/zinc/11/37/81/971113781.db2.gz KHJWAPMTIYVYNE-UHFFFAOYSA-N -1 0 348.424 3.558 20 0 EHADRM Cc1ccc(CC(=O)N(CCC(=O)[O-])c2ccccc2C)cc1C ZINC000324395566 971115880 /nfs/dbraw/zinc/11/58/80/971115880.db2.gz ZTHRNUNBHDEVPU-UHFFFAOYSA-N -1 0 325.408 3.662 20 0 EHADRM CCCCc1ccc(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000324598385 971137001 /nfs/dbraw/zinc/13/70/01/971137001.db2.gz HTRUHOBIEVEPBF-FQEVSTJZSA-N -1 0 325.408 3.759 20 0 EHADRM C[C@@H]1CCC[C@H](N(C)C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000324590123 971137060 /nfs/dbraw/zinc/13/70/60/971137060.db2.gz ZIEWTYRSXUGNPU-ZJUUUORDSA-N -1 0 326.343 3.705 20 0 EHADRM O=C([O-])CCCCCCNC(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000324821843 971160509 /nfs/dbraw/zinc/16/05/09/971160509.db2.gz YGRHYWSSXAQEDG-UHFFFAOYSA-N -1 0 348.321 3.742 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)Nc2ccc(OCC(=O)[O-])cc2)c(C)s1 ZINC000324940960 971171039 /nfs/dbraw/zinc/17/10/39/971171039.db2.gz QOKTZCWQEQNPIB-LLVKDONJSA-N -1 0 348.424 3.711 20 0 EHADRM O=C([O-])Cc1ccccc1CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000325354149 971207205 /nfs/dbraw/zinc/20/72/05/971207205.db2.gz LOIFHXOEJJAQIU-ZMSDIMECSA-N -1 0 329.440 3.536 20 0 EHADRM CCC(CC)n1ccc(CN2CC[C@@H](C(=O)[O-])c3ccccc32)n1 ZINC000325429244 971214577 /nfs/dbraw/zinc/21/45/77/971214577.db2.gz ZAGMMCDXVNHTEA-QGZVFWFLSA-N -1 0 327.428 3.823 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CCCc3sccc32)c2ccccc21 ZINC000325455082 971218361 /nfs/dbraw/zinc/21/83/61/971218361.db2.gz YTINLTROFAFVBC-HUUCEWRRSA-N -1 0 341.432 3.773 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000325911276 971253965 /nfs/dbraw/zinc/25/39/65/971253965.db2.gz YBWSFMUJTJUSAK-SNVBAGLBSA-N -1 0 348.786 3.930 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000326180679 971272897 /nfs/dbraw/zinc/27/28/97/971272897.db2.gz LYPIYEKPFBBEFR-OLZOCXBDSA-N -1 0 341.329 3.643 20 0 EHADRM Cc1c(C(=O)[O-])cc(CNc2ccc(OC3CCCC3)cc2)n1C ZINC000326290545 971280107 /nfs/dbraw/zinc/28/01/07/971280107.db2.gz BPLPYEKSBVSRCC-UHFFFAOYSA-N -1 0 328.412 3.965 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)N2CCC[C@@H]2C2CCCC2)c1F ZINC000326736330 971322710 /nfs/dbraw/zinc/32/27/10/971322710.db2.gz HEINXJLDYDVGOA-CYBMUJFWSA-N -1 0 338.354 3.850 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)NCC2CCC(C)(C)CC2)C1 ZINC000326733231 971322756 /nfs/dbraw/zinc/32/27/56/971322756.db2.gz FAEWYGPRWZWRSJ-OAHLLOKOSA-N -1 0 338.492 3.735 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)N2CC[C@@H]3CCCC[C@@H]3C2)c1F ZINC000326810457 971330544 /nfs/dbraw/zinc/33/05/44/971330544.db2.gz DCCBQMOAMFDLKA-WDEREUQCSA-N -1 0 338.354 3.707 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1ccc2ccccc2c1O ZINC000326835671 971333400 /nfs/dbraw/zinc/33/34/00/971333400.db2.gz JYIOJTLDWFHODR-UHFFFAOYSA-N -1 0 335.359 3.516 20 0 EHADRM CSc1ccc(C)c(C(=O)N2C[C@@H](C(=O)[O-])Cc3ccccc32)c1 ZINC000326929622 971346513 /nfs/dbraw/zinc/34/65/13/971346513.db2.gz WPUNUAQXVZUHEH-AWEZNQCLSA-N -1 0 341.432 3.621 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2cccc(CCC(=O)[O-])c2)o1 ZINC000326948421 971349073 /nfs/dbraw/zinc/34/90/73/971349073.db2.gz IZTPNVJUSMDESM-CXAGYDPISA-N -1 0 341.407 3.992 20 0 EHADRM CCCc1cc(C(=O)N2C[C@H](C(=O)[O-])Cc3ccccc32)sc1C ZINC000327084639 971364623 /nfs/dbraw/zinc/36/46/23/971364623.db2.gz HSHNOGLVWGOWHK-OAHLLOKOSA-N -1 0 343.448 3.913 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000327202716 971376310 /nfs/dbraw/zinc/37/63/10/971376310.db2.gz PAQJHJBKDXRKAT-UKRRQHHQSA-N -1 0 340.379 3.806 20 0 EHADRM CC[C@H](NC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000327586390 971410238 /nfs/dbraw/zinc/41/02/38/971410238.db2.gz XQHMGUXBAYRGEU-MSOLQXFVSA-N -1 0 338.407 3.531 20 0 EHADRM CC(C)(CCNC(=O)Nc1ccccc1Cc1ccccc1)C(=O)[O-] ZINC000327655515 971415246 /nfs/dbraw/zinc/41/52/46/971415246.db2.gz FPCSQUXYTXEXGJ-UHFFFAOYSA-N -1 0 340.423 3.900 20 0 EHADRM C[C@H]1CCc2sc(C(=O)NCc3ccc(C(=O)[O-])cc3)cc2C1 ZINC000013092343 948775632 /nfs/dbraw/zinc/77/56/32/948775632.db2.gz HMLJBOFDXFNAQQ-NSHDSACASA-N -1 0 329.421 3.501 20 0 EHADRM Cc1c(C)c(C)c(S(=O)(=O)Oc2ccccc2C(=O)[O-])c(C)c1C ZINC000013262535 948779116 /nfs/dbraw/zinc/77/91/16/948779116.db2.gz DAJMIVBCEWPQTN-UHFFFAOYSA-N -1 0 348.420 3.695 20 0 EHADRM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)Nc1cncc(C(=O)[O-])c1 ZINC001589561252 948811884 /nfs/dbraw/zinc/81/18/84/948811884.db2.gz NUPZYMBNSNMHQZ-AWEZNQCLSA-N -1 0 347.802 3.576 20 0 EHADRM CCN(C(=O)Cc1ccccc1C(=O)[O-])[C@H](C)c1ccc(F)cc1 ZINC000336879894 971516642 /nfs/dbraw/zinc/51/66/42/971516642.db2.gz NVKIIVXXABPJAI-CYBMUJFWSA-N -1 0 329.371 3.676 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000346002357 971520892 /nfs/dbraw/zinc/52/08/92/971520892.db2.gz ABAFRFQJBVRMMD-KKXDTOCCSA-N -1 0 325.408 3.655 20 0 EHADRM CCCC[C@H](NC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000347256053 971521872 /nfs/dbraw/zinc/52/18/72/971521872.db2.gz DXQZXQNGYDWCTR-RISCZKNCSA-N -1 0 345.361 3.644 20 0 EHADRM CCC[C@H](NC(=O)c1sc(-c2ccccc2)cc1OCC)C(=O)[O-] ZINC000347357402 971523707 /nfs/dbraw/zinc/52/37/07/971523707.db2.gz GFXKXNFKLCPBGZ-ZDUSSCGKSA-N -1 0 347.436 3.797 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)c3ccc(C(=O)[O-])o3)ccc21 ZINC000347365715 971524013 /nfs/dbraw/zinc/52/40/13/971524013.db2.gz LMRQLQFNQMVNPD-UHFFFAOYSA-N -1 0 326.352 3.841 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N1CCc2ccc(Cl)cc21 ZINC000347340365 971524186 /nfs/dbraw/zinc/52/41/86/971524186.db2.gz FQTXMUFWESZLIY-UHFFFAOYSA-N -1 0 329.783 3.560 20 0 EHADRM CC(C)Oc1ccc(NC(=O)CC2(CC(=O)[O-])CCCC2)c(F)c1 ZINC000353660346 971528623 /nfs/dbraw/zinc/52/86/23/971528623.db2.gz CPRUXTRRYLVPFY-UHFFFAOYSA-N -1 0 337.391 3.977 20 0 EHADRM CCCCc1nc2cc(NC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)ccc2[nH]1 ZINC000353961126 971530289 /nfs/dbraw/zinc/53/02/89/971530289.db2.gz MRSPQWIRQMAPPA-STQMWFEESA-N -1 0 343.427 3.735 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)c3cc(C4CC4)on3)ccc2s1 ZINC000353964157 971530397 /nfs/dbraw/zinc/53/03/97/971530397.db2.gz ZXOUXTZPBBAMNV-UHFFFAOYSA-N -1 0 328.349 3.717 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)[C@H](C)CSc2ccccc2)C1 ZINC001589583677 949019816 /nfs/dbraw/zinc/01/98/16/949019816.db2.gz BZPYXDJNEWJOFV-KDOFPFPSSA-N -1 0 335.469 3.518 20 0 EHADRM Cc1[nH]c2ccc(CNC(=O)c3ccc(C(=O)[O-])cc3F)cc2c1C ZINC000358608019 971531418 /nfs/dbraw/zinc/53/14/18/971531418.db2.gz KWBQVBCSJVXBQZ-UHFFFAOYSA-N -1 0 340.354 3.552 20 0 EHADRM CN(Cc1cc2ccccc2o1)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000358609734 971532462 /nfs/dbraw/zinc/53/24/62/971532462.db2.gz KTHWJENWMGBPPF-UHFFFAOYSA-N -1 0 327.311 3.542 20 0 EHADRM CSc1cc(C)ccc1CNC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000362428494 971535203 /nfs/dbraw/zinc/53/52/03/971535203.db2.gz ALTVESZSFVZSAK-UHFFFAOYSA-N -1 0 335.469 3.758 20 0 EHADRM CC[C@@](C)(NC(=O)c1sc(-c2ccc(C)cc2C)nc1C)C(=O)[O-] ZINC000362336720 971535266 /nfs/dbraw/zinc/53/52/66/971535266.db2.gz XGOXQUCVOXSTTL-GOSISDBHSA-N -1 0 346.452 3.718 20 0 EHADRM C[C@@H](NC(=O)CC1(CC(=O)[O-])CCCC1)c1ccc2ncsc2c1 ZINC000362925888 971537191 /nfs/dbraw/zinc/53/71/91/971537191.db2.gz WCMCLZCPYNNFMY-GFCCVEGCSA-N -1 0 346.452 3.899 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C[C@@H]2CCCc3ccccc32)C1 ZINC001589591862 949097575 /nfs/dbraw/zinc/09/75/75/949097575.db2.gz SXWDVXNBEXVMGN-JXFKEZNVSA-N -1 0 329.440 3.600 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)CC[C@@H]2CCc3ccccc32)C1 ZINC001589592043 949099253 /nfs/dbraw/zinc/09/92/53/949099253.db2.gz MWSMDFBQXBGJOU-JXFKEZNVSA-N -1 0 329.440 3.600 20 0 EHADRM COc1ccc(CCC2CCN(C(=O)CCCCC(=O)[O-])CC2)cc1 ZINC000367408309 971549001 /nfs/dbraw/zinc/54/90/01/971549001.db2.gz RFQLNENTQDZYAO-UHFFFAOYSA-N -1 0 347.455 3.511 20 0 EHADRM C[C@H](C(=O)Nc1ccnc(C(=O)[O-])c1)c1ccccc1C(F)(F)F ZINC001602795541 971557625 /nfs/dbraw/zinc/55/76/25/971557625.db2.gz IKWROYOWUGLJRL-VIFPVBQESA-N -1 0 338.285 3.541 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)NCc2oc3ccccc3c2C)C1 ZINC001589598027 949177880 /nfs/dbraw/zinc/17/78/80/949177880.db2.gz OCDOVXRHGGUUHU-IBGZPJMESA-N -1 0 344.411 3.528 20 0 EHADRM O=C([O-])c1ccc(C(=O)OCc2ccccc2Br)cc1 ZINC001595223701 949271031 /nfs/dbraw/zinc/27/10/31/949271031.db2.gz NOTCTDUVIHVNAM-UHFFFAOYSA-N -1 0 335.153 3.504 20 0 EHADRM C/C(=C/C(=O)N1CCCC[C@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000128616168 949276350 /nfs/dbraw/zinc/27/63/50/949276350.db2.gz MROJJBXRIDHBKI-BMSUMIBZSA-N -1 0 341.329 3.574 20 0 EHADRM O=C([O-])c1ccc(CNCC(F)(F)c2ccc(F)cc2F)cc1 ZINC001595232329 949357321 /nfs/dbraw/zinc/35/73/21/949357321.db2.gz UOGNLLGBYDYYQT-UHFFFAOYSA-N -1 0 327.277 3.545 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2oc(C3CC3)nc2C(F)F)cc1 ZINC001595233713 949376736 /nfs/dbraw/zinc/37/67/36/949376736.db2.gz KZHPGHNUQKLYEV-UHFFFAOYSA-N -1 0 337.278 3.545 20 0 EHADRM CC[C@@H]1CCCC[C@H]1OCC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC001589621644 949419891 /nfs/dbraw/zinc/41/98/91/949419891.db2.gz MQZRSMADCVTFCN-UWWQBHOKSA-N -1 0 345.439 3.577 20 0 EHADRM CCC(CC)(CNC(=O)c1cccc(-c2ccccn2)c1C)C(=O)[O-] ZINC000191121973 949504766 /nfs/dbraw/zinc/50/47/66/949504766.db2.gz SDZNSLMPGSHUSM-UHFFFAOYSA-N -1 0 340.423 3.678 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccc(Cl)c3cccnc23)C1 ZINC000191208298 949507728 /nfs/dbraw/zinc/50/77/28/949507728.db2.gz LBHVEDKMMAJMDB-LBPRGKRZSA-N -1 0 346.814 3.605 20 0 EHADRM C[C@@H](C(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccc(Cl)s1 ZINC000191209292 949508179 /nfs/dbraw/zinc/50/81/79/949508179.db2.gz NHQRHOTXGJAXDV-GHMZBOCLSA-N -1 0 329.849 3.608 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000193077220 949516588 /nfs/dbraw/zinc/51/65/88/949516588.db2.gz ZZVLHOHZMVHQGF-IIBYNOLFSA-N -1 0 339.435 3.647 20 0 EHADRM CCC[C@H](CC)C(=O)Nc1scc(-c2cnn(C)c2)c1C(=O)[O-] ZINC001589631381 949546112 /nfs/dbraw/zinc/54/61/12/949546112.db2.gz GVIUHDXAOVHVHE-JTQLQIEISA-N -1 0 335.429 3.612 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)[C@@H]2CCC(F)(F)C2)CC1 ZINC001595251577 949560850 /nfs/dbraw/zinc/56/08/50/949560850.db2.gz LGEQEOYSJBUPEL-CYBMUJFWSA-N -1 0 337.366 3.526 20 0 EHADRM CCCC[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(OC)cc1 ZINC001589639610 949665386 /nfs/dbraw/zinc/66/53/86/949665386.db2.gz FJUWDPSFUSEFKX-UXLLHSPISA-N -1 0 333.428 3.544 20 0 EHADRM CCCCOc1ccc(OC)cc1NC(=O)C(CC)(CC)C(=O)[O-] ZINC001589653908 949797257 /nfs/dbraw/zinc/79/72/57/949797257.db2.gz ASZRKQLALSYUDI-UHFFFAOYSA-N -1 0 337.416 3.704 20 0 EHADRM O=C([O-])c1cncc(NC(=O)c2cc(-c3ccc(Cl)cc3)c[nH]2)c1 ZINC001595272026 949841068 /nfs/dbraw/zinc/84/10/68/949841068.db2.gz WZXUBSGLSIRNSG-UHFFFAOYSA-N -1 0 341.754 3.681 20 0 EHADRM O=C([O-])c1ccc(C(=O)OCc2cc(Cl)sc2Cl)cn1 ZINC001595277294 949933840 /nfs/dbraw/zinc/93/38/40/949933840.db2.gz ZLHQPKXOBPQDAG-UHFFFAOYSA-N -1 0 332.164 3.505 20 0 EHADRM CCC(CC)(CNC(=O)C[C@H](c1ccccc1)C(F)(F)F)C(=O)[O-] ZINC000236845819 949939971 /nfs/dbraw/zinc/93/99/71/949939971.db2.gz MHANKGJCYUEADA-CYBMUJFWSA-N -1 0 345.361 3.730 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000237928286 949980750 /nfs/dbraw/zinc/98/07/50/949980750.db2.gz VATYXXQYQUHZMD-AWEZNQCLSA-N -1 0 348.830 3.610 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000379285174 971630700 /nfs/dbraw/zinc/63/07/00/971630700.db2.gz SIJYHUKBKROOTG-BDAKNGLRSA-N -1 0 331.199 3.758 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000262171973 950078846 /nfs/dbraw/zinc/07/88/46/950078846.db2.gz QLVFSIMAKVOISU-BRWVUGGUSA-N -1 0 343.810 3.656 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000262216616 950088604 /nfs/dbraw/zinc/08/86/04/950088604.db2.gz UEGUSYLMWSTMGO-BBWFWOEESA-N -1 0 343.810 3.656 20 0 EHADRM COc1cc2c(cc1NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])oc1ccccc12 ZINC000262258886 950098648 /nfs/dbraw/zinc/09/86/48/950098648.db2.gz XJKGKBRNHSAURL-VXGBXAGGSA-N -1 0 339.347 3.644 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)c1 ZINC000262350531 950111088 /nfs/dbraw/zinc/11/10/88/950111088.db2.gz FBIXHCNJYZUUGN-HUUCEWRRSA-N -1 0 345.345 3.724 20 0 EHADRM CCCc1ccc(CCCC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)cc1 ZINC001589691718 950124350 /nfs/dbraw/zinc/12/43/50/950124350.db2.gz UGMWIWSMNCUXQQ-CRAIPNDOSA-N -1 0 331.456 3.674 20 0 EHADRM CCCn1c(C(=O)N2[C@H](C)CCC[C@@H]2C(=O)[O-])cc2ccccc21 ZINC001589694841 950155339 /nfs/dbraw/zinc/15/53/39/950155339.db2.gz QOXGQLQDQMRKHA-CZUORRHYSA-N -1 0 328.412 3.519 20 0 EHADRM Cc1c(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)oc2c1c(C)ccc2C ZINC000263149563 950296503 /nfs/dbraw/zinc/29/65/03/950296503.db2.gz HIIQRDMZBFYIFQ-JSGCOSHPSA-N -1 0 329.396 3.683 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000263538768 950507406 /nfs/dbraw/zinc/50/74/06/950507406.db2.gz PVAIULKUQDRASS-INIZCTEOSA-N -1 0 327.380 3.536 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)NCC1(c2ccc(F)cc2)CCCC1 ZINC001602852102 971688183 /nfs/dbraw/zinc/68/81/83/971688183.db2.gz HVGLTZMBUOGIOB-HNNXBMFYSA-N -1 0 335.419 3.501 20 0 EHADRM O=C([O-])CC1(NC(=O)/C(F)=C/c2ccc(C(F)(F)F)cc2)CCC1 ZINC001594978690 950960492 /nfs/dbraw/zinc/96/04/92/950960492.db2.gz SQCNWIHOTNDYIR-WQLSENKSSA-N -1 0 345.292 3.529 20 0 EHADRM Cc1ccc(SCCC(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000319841308 950968715 /nfs/dbraw/zinc/96/87/15/950968715.db2.gz ORFZDIXXJINBHA-UHFFFAOYSA-N -1 0 331.393 3.520 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1c1nc2cccc(OC(F)F)c2s1 ZINC001594987002 951018784 /nfs/dbraw/zinc/01/87/84/951018784.db2.gz KMBFRPCCUYVJLE-VIFPVBQESA-N -1 0 342.367 3.731 20 0 EHADRM CC(C)C[C@H](CNC(=O)CCSc1ccccc1F)CC(=O)[O-] ZINC000322083485 951024080 /nfs/dbraw/zinc/02/40/80/951024080.db2.gz VDBBEXUUNWTBJX-ZDUSSCGKSA-N -1 0 341.448 3.561 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1cccc(C(F)(F)F)c1)CC(=O)[O-] ZINC000322179261 951026038 /nfs/dbraw/zinc/02/60/38/951026038.db2.gz NIYORNRTAXZBPS-NSHDSACASA-N -1 0 331.334 3.572 20 0 EHADRM C[C@@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000324152487 951060403 /nfs/dbraw/zinc/06/04/03/951060403.db2.gz YOAINZGENPZYKB-LLVKDONJSA-N -1 0 345.420 3.731 20 0 EHADRM CCc1cccc(CC)c1NC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000326394750 951098360 /nfs/dbraw/zinc/09/83/60/951098360.db2.gz MATYGRRSTHMEMO-KRWDZBQOSA-N -1 0 340.423 3.629 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2cc(-c3ccccc3)no2)c1 ZINC000336884537 951131491 /nfs/dbraw/zinc/13/14/91/951131491.db2.gz BQXFWHCQNDCCOP-UHFFFAOYSA-N -1 0 336.347 3.611 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000364198548 951137324 /nfs/dbraw/zinc/13/73/24/951137324.db2.gz FGOGTUCEAJHORJ-NSHDSACASA-N -1 0 341.860 3.534 20 0 EHADRM C[C@H](NC(=O)N1CCCC[C@H]1CCC(=O)[O-])[C@H]1CC2CCC1CC2 ZINC000382174259 951218828 /nfs/dbraw/zinc/21/88/28/951218828.db2.gz QBZRQVUBWGGBPU-BFHKSVSOSA-N -1 0 336.476 3.630 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2Cl)CC[C@@H]1C(=O)[O-] ZINC000385698849 951282458 /nfs/dbraw/zinc/28/24/58/951282458.db2.gz HUJULZKKVSZGBQ-SCZZXKLOSA-N -1 0 331.199 3.568 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)CSCc1ccc(Cl)cc1 ZINC001602867684 971733439 /nfs/dbraw/zinc/73/34/39/971733439.db2.gz PSCSMQUBEFKVCV-UHFFFAOYSA-N -1 0 343.876 3.533 20 0 EHADRM C[C@@H](CCOCc1ccccc1)NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000389611666 951354408 /nfs/dbraw/zinc/35/44/08/951354408.db2.gz LAUCGTHEXGYXBF-AWEZNQCLSA-N -1 0 342.395 3.502 20 0 EHADRM CCOc1ccc([C@@H](C)OC(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC001592815995 951368820 /nfs/dbraw/zinc/36/88/20/951368820.db2.gz OKRRRQQVBUXZEP-CYBMUJFWSA-N -1 0 328.364 3.630 20 0 EHADRM O=C([O-])CCCCCNC(=O)NC1(c2ccc(F)cc2)CCCC1 ZINC001595036888 951408520 /nfs/dbraw/zinc/40/85/20/951408520.db2.gz MNDOIADFWOQHLK-UHFFFAOYSA-N -1 0 336.407 3.539 20 0 EHADRM Cc1ccc(NC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1C(F)(F)F ZINC000392284611 951416744 /nfs/dbraw/zinc/41/67/44/951416744.db2.gz WYOVXQXSJZPNLU-PWSUYJOCSA-N -1 0 344.333 3.588 20 0 EHADRM O=C([O-])CCCNC(=O)Nc1ccc(Oc2ccc(F)cc2)cc1 ZINC001595050209 951465879 /nfs/dbraw/zinc/46/58/79/951465879.db2.gz GDGVTDFVTVFNMF-UHFFFAOYSA-N -1 0 332.331 3.604 20 0 EHADRM O=C([O-])CCCNC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl ZINC001595050029 951466142 /nfs/dbraw/zinc/46/61/42/951466142.db2.gz YDSKVOQUDOCBKT-UHFFFAOYSA-N -1 0 341.194 3.583 20 0 EHADRM O=C([O-])CCNC(=O)Nc1ccc(OCc2ccccc2Cl)cc1 ZINC001595058730 951507625 /nfs/dbraw/zinc/50/76/25/951507625.db2.gz FRLNBJBEVUOELO-UHFFFAOYSA-N -1 0 348.786 3.515 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@H]2CC[C@H](C(F)(F)F)C2)c1 ZINC001595063222 951522547 /nfs/dbraw/zinc/52/25/47/951522547.db2.gz OVNXIRFCJHPRIP-RYUDHWBXSA-N -1 0 329.318 3.621 20 0 EHADRM O=C([O-])CCc1nc(-c2ccnc(Oc3ccccc3Cl)c2)no1 ZINC001595066665 951556392 /nfs/dbraw/zinc/55/63/92/951556392.db2.gz UBMAYNJUHCPDSU-UHFFFAOYSA-N -1 0 345.742 3.595 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)NCC(F)(F)c2ccccc2)c1 ZINC001595066895 951558512 /nfs/dbraw/zinc/55/85/12/951558512.db2.gz RPRGRXINIIZWMS-UHFFFAOYSA-N -1 0 348.349 3.617 20 0 EHADRM O=C([O-])CSCc1csc(COc2ccc(Cl)cc2)n1 ZINC001595129032 952026627 /nfs/dbraw/zinc/02/66/27/952026627.db2.gz VSLJQUFGCSRMRK-UHFFFAOYSA-N -1 0 329.830 3.693 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Cc2c[nH]c3cccc(Cl)c23)c1 ZINC001595130158 952029817 /nfs/dbraw/zinc/02/98/17/952029817.db2.gz OKYBGJRQRMKPOZ-UHFFFAOYSA-N -1 0 342.782 3.630 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Nc2cc(F)c(F)c(F)c2F)c1 ZINC001595132713 952045330 /nfs/dbraw/zinc/04/53/30/952045330.db2.gz GMVRBMXOYZUOFY-UHFFFAOYSA-N -1 0 342.248 3.514 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC001595173281 952229395 /nfs/dbraw/zinc/22/93/95/952229395.db2.gz VKVHNVBWJJZKCU-QRBXVVJQSA-N -1 0 327.424 3.582 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N(Cc1ccco1)c1ccc(Cl)cc1 ZINC001595178069 952243282 /nfs/dbraw/zinc/24/32/82/952243282.db2.gz IHPNOTAUFPMBGZ-HUUCEWRRSA-N -1 0 333.771 3.577 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](Nc2ncnc3scc(-c4cccs4)c32)C1 ZINC001595201582 952316349 /nfs/dbraw/zinc/31/63/49/952316349.db2.gz UZGIUOXINCPZEH-DTORHVGOSA-N -1 0 331.422 3.695 20 0 EHADRM CC(C)(CCNC(=O)N[C@H]1CCc2cccc3cccc1c32)C(=O)[O-] ZINC001602940602 971909007 /nfs/dbraw/zinc/90/90/07/971909007.db2.gz IFRURPXNHTUMMT-INIZCTEOSA-N -1 0 340.423 3.627 20 0 EHADRM CC[C@@H](CC(F)(F)F)C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000402538847 953355875 /nfs/dbraw/zinc/35/58/75/953355875.db2.gz ZJBWQVSOIMKLFA-JQWIXIFHSA-N -1 0 329.318 3.570 20 0 EHADRM Cc1ccc(C(C)(C)CNC(=O)NCCCCCC(=O)[O-])c(C)c1 ZINC000414605930 953397289 /nfs/dbraw/zinc/39/72/89/953397289.db2.gz DGWXCHGUPATIKS-UHFFFAOYSA-N -1 0 334.460 3.525 20 0 EHADRM CC[C@@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)c1ccc(F)cc1 ZINC001593604099 953420773 /nfs/dbraw/zinc/42/07/73/953420773.db2.gz XQBJOGXTIMYSAT-MRXNPFEDSA-N -1 0 330.359 3.726 20 0 EHADRM CC[C@@H](OC(=O)C1(C(=O)[O-])CCSCC1)c1ccc(C)c(F)c1 ZINC001593609106 953444829 /nfs/dbraw/zinc/44/48/29/953444829.db2.gz IJNBTBNKEUSCGD-CQSZACIVSA-N -1 0 340.416 3.726 20 0 EHADRM CC[C@H]1CN(C(=O)NCCC(C)(C)C(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000424406244 953472724 /nfs/dbraw/zinc/47/27/24/953472724.db2.gz QJFYYIWHIKUGCH-RDJZCZTQSA-N -1 0 346.471 3.713 20 0 EHADRM CCC(CC)(CNC(=O)N(C)Cc1c(F)cccc1Cl)C(=O)[O-] ZINC000424410870 953476126 /nfs/dbraw/zinc/47/61/26/953476126.db2.gz JFEKEERBDUCOSX-UHFFFAOYSA-N -1 0 344.814 3.512 20 0 EHADRM CC[C@H](NC(=O)[C@H]1CCCC[C@@H]1c1nc2ccccc2s1)C(=O)[O-] ZINC001593618914 953513936 /nfs/dbraw/zinc/51/39/36/953513936.db2.gz QNIJBHOLXZPALC-AVGNSLFASA-N -1 0 346.452 3.550 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(c2cc(C(C)(C)C)nc(C(C)(C)C)n2)C1 ZINC001589281744 953524720 /nfs/dbraw/zinc/52/47/20/953524720.db2.gz AUNGCZVTSBOCJV-STQMWFEESA-N -1 0 333.476 3.619 20 0 EHADRM COc1cc(C2(C(=O)Nc3ccc(C(=O)[O-])cc3F)CC2)ccc1C ZINC000479539969 953525657 /nfs/dbraw/zinc/52/56/57/953525657.db2.gz ILDVDMMLHFOLMB-UHFFFAOYSA-N -1 0 343.354 3.511 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000516866952 953542166 /nfs/dbraw/zinc/54/21/66/953542166.db2.gz BTYKYTSKXNPGPA-GXFFZTMASA-N -1 0 341.860 3.635 20 0 EHADRM C[C@@H]1CC(C)(C)N(C(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)c2ccccc21 ZINC001589284522 953545736 /nfs/dbraw/zinc/54/57/36/953545736.db2.gz IVMXDZRVXMKWDP-QLFBSQMISA-N -1 0 345.439 3.575 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC001594768834 953546413 /nfs/dbraw/zinc/54/64/13/953546413.db2.gz GQGFPTFOLCLZDJ-DJIMGWMZSA-N -1 0 330.428 3.543 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)N1CCC[C@H](CC(=O)[O-])C1)C(C)C ZINC000519529229 953549948 /nfs/dbraw/zinc/54/99/48/953549948.db2.gz RATAIZXWTBYNPV-QAPCUYQASA-N -1 0 332.444 3.588 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)NCc1ccc2ccccc2c1 ZINC001594770238 953553748 /nfs/dbraw/zinc/55/37/48/953553748.db2.gz NQUMGHYCIKDRAI-UHFFFAOYSA-N -1 0 334.375 3.537 20 0 EHADRM Cc1cc(NC(=O)c2ccc3nc(C)c(C)nc3c2)ccc1C(=O)[O-] ZINC000532596021 953563615 /nfs/dbraw/zinc/56/36/15/953563615.db2.gz PQEVROVVXBJBDL-UHFFFAOYSA-N -1 0 335.363 3.506 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)NCc2ccc(C3CCC3)cc2)c1 ZINC001594773004 953576171 /nfs/dbraw/zinc/57/61/71/953576171.db2.gz LRSRPEUGJRXEPT-UHFFFAOYSA-N -1 0 338.407 3.652 20 0 EHADRM CCc1cc(OCC(=O)OCc2ccc(C(=O)[O-])cc2)ccc1Cl ZINC001593633707 953595456 /nfs/dbraw/zinc/59/54/56/953595456.db2.gz DCZGWKZPBDZFTI-UHFFFAOYSA-N -1 0 348.782 3.723 20 0 EHADRM CN(Cc1c(Cl)cccc1Cl)C(=O)C1(CC(=O)[O-])CCC1 ZINC000563216984 953598765 /nfs/dbraw/zinc/59/87/65/953598765.db2.gz PGGQFTXKIXILQG-UHFFFAOYSA-N -1 0 330.211 3.597 20 0 EHADRM CCSCc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1 ZINC000563711563 953600588 /nfs/dbraw/zinc/60/05/88/953600588.db2.gz AGIDXFOYBWCZIF-DOMZBBRYSA-N -1 0 336.457 3.514 20 0 EHADRM CCc1ccc(C(C)(C)CNC(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC001593635308 953606054 /nfs/dbraw/zinc/60/60/54/953606054.db2.gz KXBNWLDVAWJWTC-UHFFFAOYSA-N -1 0 325.408 3.655 20 0 EHADRM CC[C@@H](NC(=O)N1CCC[C@H](CC(=O)[O-])C1)c1cccc(Cl)c1 ZINC000566608068 953628192 /nfs/dbraw/zinc/62/81/92/953628192.db2.gz DTBFJCSTYFLICX-IUODEOHRSA-N -1 0 338.835 3.687 20 0 EHADRM C[C@]1(CCc2ccccc2)CCN(C(=O)C2(CC(=O)[O-])CCC2)C1 ZINC000577116721 953691838 /nfs/dbraw/zinc/69/18/38/953691838.db2.gz DUZPLGSFTGNMQK-IBGZPJMESA-N -1 0 329.440 3.503 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000578132133 953699397 /nfs/dbraw/zinc/69/93/97/953699397.db2.gz PDNZNAFTZNWPTH-TVQRCGJNSA-N -1 0 335.787 3.577 20 0 EHADRM CC(C)COc1ccc(NC(=O)C2(C(=O)[O-])CCC2)cc1Cl ZINC000579681515 953710256 /nfs/dbraw/zinc/71/02/56/953710256.db2.gz PNIBCRUIUXMAOV-UHFFFAOYSA-N -1 0 325.792 3.568 20 0 EHADRM Cc1ccccc1-c1csc(NC(=O)C2(CC(=O)[O-])CCC2)n1 ZINC000581610391 953720164 /nfs/dbraw/zinc/72/01/64/953720164.db2.gz LZQLUETXHKUNKL-UHFFFAOYSA-N -1 0 330.409 3.702 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1cccc(F)c1C(C)(F)F ZINC001589306602 953747588 /nfs/dbraw/zinc/74/75/88/953747588.db2.gz VAXWIVMPLMHOEG-ZJUUUORDSA-N -1 0 344.333 3.654 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1ccccc1COC(C)(C)C ZINC001589306885 953752223 /nfs/dbraw/zinc/75/22/23/953752223.db2.gz YNWQAAUGSFSAAY-KGLIPLIRSA-N -1 0 348.443 3.719 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1cscc1C(F)(F)F)CC(=O)[O-] ZINC000621539595 953794130 /nfs/dbraw/zinc/79/41/30/953794130.db2.gz RXVFERWXKLFBSU-VIFPVBQESA-N -1 0 337.363 3.634 20 0 EHADRM C[C@@H]1CCC[C@H](C)N(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)C1 ZINC001589314392 953819551 /nfs/dbraw/zinc/81/95/51/953819551.db2.gz CEKIMMPUZODPNG-DLTLXFJOSA-N -1 0 330.428 3.520 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)N[C@@H]1CCCc2ccc(Cl)cc21 ZINC001594811577 953830737 /nfs/dbraw/zinc/83/07/37/953830737.db2.gz BQAOPFCQYGGEFQ-CYBMUJFWSA-N -1 0 345.786 3.632 20 0 EHADRM CC1(C)[C@H](C(=O)N2CCC(CCC(=O)[O-])CC2)[C@H]1c1ccccc1 ZINC000630155303 953841466 /nfs/dbraw/zinc/84/14/66/953841466.db2.gz DXOZCZRDCNIIIN-MSOLQXFVSA-N -1 0 329.440 3.530 20 0 EHADRM C[C@H](C1CC1)N(C(=O)c1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000630308196 953852678 /nfs/dbraw/zinc/85/26/78/953852678.db2.gz HHAYNKMKQDEXDL-CQSZACIVSA-N -1 0 339.391 3.595 20 0 EHADRM C[C@@H]1CCCN(C(=O)Cc2ccc(-c3ccccc3)cc2)[C@H]1C(=O)[O-] ZINC001589325954 953910032 /nfs/dbraw/zinc/91/00/32/953910032.db2.gz WJQHSQFMWNNTBZ-FOIQADDNSA-N -1 0 337.419 3.608 20 0 EHADRM CN(C(=O)Nc1cccnc1C(=O)[O-])[C@H]1CCC[C@@H]1c1ccccc1 ZINC001593680492 953945658 /nfs/dbraw/zinc/94/56/58/953945658.db2.gz COXXMVGUPCOKBE-ZBFHGGJFSA-N -1 0 339.395 3.580 20 0 EHADRM C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001589332387 953952621 /nfs/dbraw/zinc/95/26/21/953952621.db2.gz JJDFDGPDKUIYJS-SJKOYZFVSA-N -1 0 339.395 3.615 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N1CCC(c2cccc(F)c2F)CC1 ZINC000653310181 954125499 /nfs/dbraw/zinc/12/54/99/954125499.db2.gz WQHMVSQTZNDWPS-UHFFFAOYSA-N -1 0 339.382 3.562 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)C2(c3ccccc3)CCC2)c2ccccc21 ZINC000653335850 954168055 /nfs/dbraw/zinc/16/80/55/954168055.db2.gz XWTUIXZAQFMVNL-MSOLQXFVSA-N -1 0 335.403 3.538 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1ccc(C(F)F)cc1F ZINC000655540659 954196951 /nfs/dbraw/zinc/19/69/51/954196951.db2.gz IRYRHMOAWUYAJE-NSHDSACASA-N -1 0 329.318 3.623 20 0 EHADRM CC(C)c1nccn1Cc1cccc(NC(=O)CCCCC(=O)[O-])c1 ZINC000655555647 954201581 /nfs/dbraw/zinc/20/15/81/954201581.db2.gz YDCCWTZVLJASGS-UHFFFAOYSA-N -1 0 343.427 3.638 20 0 EHADRM CC(C)[C@@H](CNC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000655565655 954203976 /nfs/dbraw/zinc/20/39/76/954203976.db2.gz BNAGUJRMEUHHAX-GXSJLCMTSA-N -1 0 332.227 3.570 20 0 EHADRM CC(C)[C@@H](C(=O)NC[C@@H](C(=O)[O-])C(C)C)c1cccc(Cl)c1 ZINC000655573479 954211006 /nfs/dbraw/zinc/21/10/06/954211006.db2.gz SVROOCXTEAMRJG-HUUCEWRRSA-N -1 0 325.836 3.553 20 0 EHADRM O=C([O-])C1(C(=O)N[C@@H]2CCc3ccc(-c4ccccc4)cc32)CCC1 ZINC001594855134 954222697 /nfs/dbraw/zinc/22/26/97/954222697.db2.gz ARELUIZQLJAKLB-GOSISDBHSA-N -1 0 335.403 3.712 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)c2ccc(C(=O)[O-])nc2)c(F)c1 ZINC000655596476 954233364 /nfs/dbraw/zinc/23/33/64/954233364.db2.gz HHGXKWKKIVANQX-UHFFFAOYSA-N -1 0 346.358 3.596 20 0 EHADRM CCN(Cc1ccc2ccccc2c1)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000655892704 954274852 /nfs/dbraw/zinc/27/48/52/954274852.db2.gz XXKGDCXOERJHMD-GOSISDBHSA-N -1 0 342.439 3.728 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1)C(=O)[O-] ZINC001602982790 972002048 /nfs/dbraw/zinc/00/20/48/972002048.db2.gz CYFRCQCXBPKGQD-CQSZACIVSA-N -1 0 330.428 3.552 20 0 EHADRM CCCc1nc(C)c(NC(=O)N2CCC(CCC(=O)[O-])CC2)s1 ZINC000656604111 954303351 /nfs/dbraw/zinc/30/33/51/954303351.db2.gz KUGMVRXZLAJXGG-UHFFFAOYSA-N -1 0 339.461 3.513 20 0 EHADRM CC(C)C[C@H](CNC(=O)N(C)[C@@H](C)c1ccc(F)cc1)CC(=O)[O-] ZINC000659418241 954342918 /nfs/dbraw/zinc/34/29/18/954342918.db2.gz IBWKBAFNKREJJS-KBPBESRZSA-N -1 0 338.423 3.665 20 0 EHADRM CC(C)CCN(C(=O)c1ccc(OCC(=O)[O-])cc1)C1CCCC1 ZINC000659754994 954357099 /nfs/dbraw/zinc/35/70/99/954357099.db2.gz UFOSPYWJQZZSCM-UHFFFAOYSA-N -1 0 333.428 3.581 20 0 EHADRM CCN(C(=O)C[C@H](C)c1ccccc1C(F)(F)F)[C@@H](C)C(=O)[O-] ZINC000659769691 954367314 /nfs/dbraw/zinc/36/73/14/954367314.db2.gz AEQLFMZHRXMLEF-QWRGUYRKSA-N -1 0 331.334 3.521 20 0 EHADRM Cc1csc(Nc2ccc(NC(=O)[C@@]3(C(=O)[O-])CC3(C)C)cc2)n1 ZINC000663069512 954442875 /nfs/dbraw/zinc/44/28/75/954442875.db2.gz MJTPDFNKROQFIB-QGZVFWFLSA-N -1 0 345.424 3.635 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000663076079 954452279 /nfs/dbraw/zinc/45/22/79/954452279.db2.gz UCUCAHHETOOXQR-KRWDZBQOSA-N -1 0 330.409 3.613 20 0 EHADRM CN(Cc1ccc2ccccc2c1)C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001593761063 954493007 /nfs/dbraw/zinc/49/30/07/954493007.db2.gz OOKNFJFCRBATFA-UHFFFAOYSA-N -1 0 349.386 3.575 20 0 EHADRM Cc1c(C(=O)NC2(CC(=O)[O-])CCCCC2)cnn1C1CCCCC1 ZINC000663120181 954514086 /nfs/dbraw/zinc/51/40/86/954514086.db2.gz SYCTXVUDLISOMJ-UHFFFAOYSA-N -1 0 347.459 3.604 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000663120844 954514943 /nfs/dbraw/zinc/51/49/43/954514943.db2.gz ABDYGGZSYVAFBT-CKIKVBCHSA-N -1 0 349.393 3.607 20 0 EHADRM CC(C)[C@H]1C[C@H]1C(=O)Nc1sc2c(c1C(=O)[O-])C[C@@H](C)O[C@H]2C ZINC001589411044 954516227 /nfs/dbraw/zinc/51/62/27/954516227.db2.gz MTQIDOVJOSKTGQ-LMLFDSFASA-N -1 0 337.441 3.699 20 0 EHADRM Cc1occc1-c1cc(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)no1 ZINC000663370128 954542252 /nfs/dbraw/zinc/54/22/52/954542252.db2.gz WLDMDLDOTJBTJY-LBPRGKRZSA-N -1 0 349.387 3.502 20 0 EHADRM CC(C)C[C@@H]1C[C@H]1NC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666552059 954558974 /nfs/dbraw/zinc/55/89/74/954558974.db2.gz ZDNBHURJYRITNO-CRAIPNDOSA-N -1 0 344.455 3.708 20 0 EHADRM O=C([O-])C1(CNC(=O)c2ccccc2SCc2ccco2)CCC1 ZINC000678982326 954587265 /nfs/dbraw/zinc/58/72/65/954587265.db2.gz MDCODWJVRGKWFP-UHFFFAOYSA-N -1 0 345.420 3.557 20 0 EHADRM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)Nc2cnn(CC(=O)[O-])c2)CC1 ZINC001589447761 954779831 /nfs/dbraw/zinc/77/98/31/954779831.db2.gz PCEBNCAGLOWOCV-SHBDPFAUSA-N -1 0 347.459 3.539 20 0 EHADRM CCC(C)(C)OCc1ccccc1NC(=O)c1ccc(C(=O)[O-])nc1 ZINC001589452307 954811766 /nfs/dbraw/zinc/81/17/66/954811766.db2.gz SAQBRQXAFSFYDT-UHFFFAOYSA-N -1 0 342.395 3.737 20 0 EHADRM O=C([O-])[C@H]1CCN(C[C@@H]2CCN(c3ccccc3)C2)c2ccccc21 ZINC001594933626 954839652 /nfs/dbraw/zinc/83/96/52/954839652.db2.gz YXUDIDRIXXAHLB-APWZRJJASA-N -1 0 336.435 3.591 20 0 EHADRM CC[C@H](C)Oc1ccc(NC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1 ZINC001589463625 954876605 /nfs/dbraw/zinc/87/66/05/954876605.db2.gz GFYKYVKJBXCCCW-RDBSUJKOSA-N -1 0 334.416 3.581 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1cccc2ccsc21 ZINC000386451930 972054709 /nfs/dbraw/zinc/05/47/09/972054709.db2.gz QURXPXUNVOXWHJ-MRXNPFEDSA-N -1 0 337.400 3.726 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)NCc1ccc(-c2ccco2)cc1F ZINC001589473814 954940548 /nfs/dbraw/zinc/94/05/48/954940548.db2.gz GSLXWRKKTVFTCL-UHFFFAOYSA-N -1 0 333.359 3.593 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1cc(N(C)C)cc(C(F)(F)F)c1 ZINC001589478147 954966942 /nfs/dbraw/zinc/96/69/42/954966942.db2.gz ZRNRFFSJOWGREL-UHFFFAOYSA-N -1 0 346.349 3.601 20 0 EHADRM CCC(CC)(CNC(=O)COc1ccc(C(C)C)c(C)c1)C(=O)[O-] ZINC001589488852 955001071 /nfs/dbraw/zinc/00/10/71/955001071.db2.gz QPBHDOIYMXAATR-UHFFFAOYSA-N -1 0 335.444 3.504 20 0 EHADRM CCC(CC)(CNC(=O)N(C)[C@H]1CCC[C@@H]1C(C)(C)C)C(=O)[O-] ZINC001589489128 955005153 /nfs/dbraw/zinc/00/51/53/955005153.db2.gz CFMTXGZEJGTNRD-KBPBESRZSA-N -1 0 326.481 3.734 20 0 EHADRM CCC(CC)(CNC(=O)NCCc1cccc2ccccc21)C(=O)[O-] ZINC001589496321 955016233 /nfs/dbraw/zinc/01/62/33/955016233.db2.gz AUWLDQLNXVNOAX-UHFFFAOYSA-N -1 0 342.439 3.573 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)[C@@H]1Cc2ccccc2S1 ZINC000386537148 972062360 /nfs/dbraw/zinc/06/23/60/972062360.db2.gz IHJSDBPVABWPRL-AWEZNQCLSA-N -1 0 333.796 3.694 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)NCCCCCc2ccccc2)co1 ZINC001594969648 955094684 /nfs/dbraw/zinc/09/46/84/955094684.db2.gz JRGKQEFLVGALHG-KHPPLWFESA-N -1 0 327.380 3.520 20 0 EHADRM CC(C)C[C@@H]1CCCCN1C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001603018060 972073978 /nfs/dbraw/zinc/07/39/78/972073978.db2.gz FVZABKPZXHMTHA-PXNSSMCTSA-N -1 0 346.471 3.639 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCC[C@H](CC(C)C)C1)CC(=O)[O-] ZINC001603018405 972076600 /nfs/dbraw/zinc/07/66/00/972076600.db2.gz NNSVFTCYTWUZHX-CVEARBPZSA-N -1 0 326.481 3.591 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC001589001676 955331270 /nfs/dbraw/zinc/33/12/70/955331270.db2.gz UCAFWNWHZIVGKT-LLVKDONJSA-N -1 0 335.444 3.580 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000777382110 955337362 /nfs/dbraw/zinc/33/73/62/955337362.db2.gz DNJPIGVGJDOQCZ-KVPUOBJLSA-N -1 0 345.439 3.590 20 0 EHADRM C[C@H](CCC(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC001589014358 955419002 /nfs/dbraw/zinc/41/90/02/955419002.db2.gz PUYSEIQTJNLKGQ-FZKQIMNGSA-N -1 0 329.371 3.652 20 0 EHADRM C[C@H]1CCc2ccccc2[C@H]1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000833616819 955557900 /nfs/dbraw/zinc/55/79/00/955557900.db2.gz HTKZJGMQVROBDI-UGSOOPFHSA-N -1 0 338.407 3.508 20 0 EHADRM C[C@@H](CNC(=O)Nc1c2ccccc2[nH]c1-c1ccccc1)C(=O)[O-] ZINC001589057612 955709955 /nfs/dbraw/zinc/70/99/55/955709955.db2.gz VTGPCJTUFYOQBU-LBPRGKRZSA-N -1 0 337.379 3.677 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F ZINC000846715517 955724728 /nfs/dbraw/zinc/72/47/28/955724728.db2.gz PNIQDPGEWWUIFY-JATZPVMKSA-N -1 0 349.736 3.607 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)NCCCCCCc2ccccc2)C1 ZINC000861467249 955917456 /nfs/dbraw/zinc/91/74/56/955917456.db2.gz CJPMUDNKBRZTOX-GOSISDBHSA-N -1 0 346.471 3.686 20 0 EHADRM CCN(C(=O)/C=C/c1ccc(C(=O)[O-])o1)[C@H](C)c1cccc(OC)c1 ZINC000864104992 955933818 /nfs/dbraw/zinc/93/38/18/955933818.db2.gz YEIOPFLUDUAJJR-YGNAEDSMSA-N -1 0 343.379 3.609 20 0 EHADRM CC1(C)C[C@H](NC(=O)/C=C/c2ccc(C(=O)[O-])o2)c2ccccc21 ZINC000864143123 955963816 /nfs/dbraw/zinc/96/38/16/955963816.db2.gz BVGUSLMFXCWRBG-HQPKTYMTSA-N -1 0 325.364 3.530 20 0 EHADRM CC[C@@H](CNC(=O)Cc1coc2c1ccc(Cl)c2Cl)C(=O)[O-] ZINC000864151998 955970482 /nfs/dbraw/zinc/97/04/82/955970482.db2.gz XGQDHEGNUOOVAQ-QMMMGPOBSA-N -1 0 344.194 3.509 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N2CCC(c3ccc(F)cc3)CC2)o1 ZINC000864218585 955979668 /nfs/dbraw/zinc/97/96/68/955979668.db2.gz XNAOWQPQKKTESO-SOFGYWHQSA-N -1 0 343.354 3.536 20 0 EHADRM COc1ccc(C2CC2)c(NC(=O)NCc2ccccc2C(=O)[O-])c1 ZINC000864608988 956010496 /nfs/dbraw/zinc/01/04/96/956010496.db2.gz WTZTWAVRPZEBPB-UHFFFAOYSA-N -1 0 340.379 3.593 20 0 EHADRM C[C@@](NC(=O)c1scnc1C1CCCC1)(C(=O)[O-])c1ccccc1 ZINC001589121760 956128278 /nfs/dbraw/zinc/12/82/78/956128278.db2.gz VICNSHLPJUUQLE-SFHVURJKSA-N -1 0 344.436 3.531 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)N[C@@H]2CCCC[C@@H]2F)CC1 ZINC000874408406 956180071 /nfs/dbraw/zinc/18/00/71/956180071.db2.gz HFZOHJHVQOYBLK-DLBZAZTESA-N -1 0 348.418 3.555 20 0 EHADRM C[C@@](NCc1cc2c(ccnc2Cl)o1)(C(=O)[O-])c1ccccc1 ZINC001589129270 956187789 /nfs/dbraw/zinc/18/77/89/956187789.db2.gz SGJCUJCXVKJNEI-KRWDZBQOSA-N -1 0 330.771 3.571 20 0 EHADRM CCCOc1ccc(NC(=O)N2CC[C@H](C(=O)[O-])C2)cc1C(C)C ZINC000887394579 956258727 /nfs/dbraw/zinc/25/87/27/956258727.db2.gz WEIUSIZBQNRMLU-ZDUSSCGKSA-N -1 0 334.416 3.537 20 0 EHADRM O=C([O-])CCCCNC(=O)c1sc2cccc(F)c2c1Cl ZINC000901482069 956323091 /nfs/dbraw/zinc/32/30/91/956323091.db2.gz IQLRNHFCGNIBIL-UHFFFAOYSA-N -1 0 329.780 3.679 20 0 EHADRM C[C@@H](OC(=O)[C@H](C(=O)[O-])C(C)(C)C)c1ccc(OC(F)F)cc1 ZINC001589154387 956362481 /nfs/dbraw/zinc/36/24/81/956362481.db2.gz SVDCFRIULWYCFQ-SKDRFNHKSA-N -1 0 330.327 3.639 20 0 EHADRM Cc1cc(C)c(CC(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)s1 ZINC000901636544 956395724 /nfs/dbraw/zinc/39/57/24/956395724.db2.gz NMKOLOGBEWPBKK-AWEZNQCLSA-N -1 0 329.421 3.513 20 0 EHADRM CC(C)c1ccc2occ(C(=O)N3CC[C@@H](C(=O)[O-])[C@H](C)C3)c2c1 ZINC001603107011 972182529 /nfs/dbraw/zinc/18/25/29/972182529.db2.gz OOUJJYOKICEVAY-TZMCWYRMSA-N -1 0 329.396 3.739 20 0 EHADRM O=C([O-])c1cccc(NC(=O)C2(c3cccnc3)CC3(CCC3)C2)c1 ZINC000901707093 956430370 /nfs/dbraw/zinc/43/03/70/956430370.db2.gz PQXBLRMJECVKMO-UHFFFAOYSA-N -1 0 336.391 3.620 20 0 EHADRM CCCCN(C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1)[C@H](C)c1ccccc1 ZINC000901851747 956502243 /nfs/dbraw/zinc/50/22/43/956502243.db2.gz JLWBJZMOWKGBNM-BPQIPLTHSA-N -1 0 347.455 3.646 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(C)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001589176433 956507408 /nfs/dbraw/zinc/50/74/08/956507408.db2.gz YUFOMOPDRMKAEW-JTQLQIEISA-N -1 0 333.775 3.658 20 0 EHADRM CCC(CC)[C@H](NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000901865966 956510890 /nfs/dbraw/zinc/51/08/90/956510890.db2.gz QXPXWLBWDARNOX-LMMKCTJWSA-N -1 0 347.455 3.550 20 0 EHADRM O=C(/C=C\c1ccc(C(=O)[O-])o1)Nc1ccc(-c2ccccn2)cc1 ZINC001594673812 956640066 /nfs/dbraw/zinc/64/00/66/956640066.db2.gz LHNSWZQAYUXEOQ-LUAWRHEFSA-N -1 0 334.331 3.692 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)c1cc2c(ccnc2Cl)s1 ZINC000902074114 956641760 /nfs/dbraw/zinc/64/17/60/956641760.db2.gz OYBMLUHTOHOYPP-UHFFFAOYSA-N -1 0 340.832 3.523 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NCC1(Sc2ccccc2)CC1 ZINC001589205300 956661215 /nfs/dbraw/zinc/66/12/15/956661215.db2.gz UKKUOLHGKCMTRT-UHFFFAOYSA-N -1 0 347.480 3.565 20 0 EHADRM C[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)c1ccc2ccccc2c1 ZINC000902170966 956672728 /nfs/dbraw/zinc/67/27/28/956672728.db2.gz WBOSCOIKCQNYIC-DEYYWGMASA-N -1 0 325.408 3.513 20 0 EHADRM Cc1cc(NC(=O)N2CCC[C@](C)(C(=O)[O-])C2)c(Cl)cc1F ZINC000389046013 972204099 /nfs/dbraw/zinc/20/40/99/972204099.db2.gz BWTJSQCJPMRBAK-HNNXBMFYSA-N -1 0 328.771 3.506 20 0 EHADRM CC1(C)[C@@H](c2ccccc2)CCN1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001589209987 956680550 /nfs/dbraw/zinc/68/05/50/956680550.db2.gz QIBZIKPQJLJAAN-OAHLLOKOSA-N -1 0 339.395 3.580 20 0 EHADRM CC(C)(CC(=O)NCc1ccccc1C(=O)[O-])c1ccc(F)cc1 ZINC000902376574 956714405 /nfs/dbraw/zinc/71/44/05/956714405.db2.gz OOPFRONAYDFUFU-UHFFFAOYSA-N -1 0 329.371 3.508 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000389123868 972208032 /nfs/dbraw/zinc/20/80/32/972208032.db2.gz JGRGTXVKAKOZEF-WDEREUQCSA-N -1 0 325.792 3.568 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])[C@H](c2ccccc2)C1 ZINC001589225296 956788817 /nfs/dbraw/zinc/78/88/17/956788817.db2.gz WMPNWZFXHPIRSO-WCXIOVBPSA-N -1 0 329.440 3.576 20 0 EHADRM CSCC1(CC(=O)N2C[C@@H](CCC(=O)[O-])Cc3ccccc32)CC1 ZINC000902821445 956810330 /nfs/dbraw/zinc/81/03/30/956810330.db2.gz YRONFFBGGUUODS-AWEZNQCLSA-N -1 0 347.480 3.590 20 0 EHADRM CCOCCCCCC(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21 ZINC000902821171 956810722 /nfs/dbraw/zinc/81/07/22/956810722.db2.gz WYVJWFMHJFRISJ-INIZCTEOSA-N -1 0 347.455 3.654 20 0 EHADRM CC1(C)CN(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)[C@@H]2CCC[C@@H]21 ZINC001589229306 956812657 /nfs/dbraw/zinc/81/26/57/956812657.db2.gz AQFVWHNWVIIAJP-YYIAUSFCSA-N -1 0 342.439 3.520 20 0 EHADRM O=C([O-])CC[C@H]1Cc2ccccc2N(C(=O)c2ccc(F)cc2F)C1 ZINC000902830836 956820287 /nfs/dbraw/zinc/82/02/87/956820287.db2.gz RQVWUCKWBKHMLK-LBPRGKRZSA-N -1 0 345.345 3.649 20 0 EHADRM O=C([O-])c1cc(NC(=O)Cc2ccc(-c3ccccc3)cc2)ccn1 ZINC001594705252 956836229 /nfs/dbraw/zinc/83/62/29/956836229.db2.gz IVEBPTVOKUGXHV-UHFFFAOYSA-N -1 0 332.359 3.628 20 0 EHADRM CC(C)c1ccc(NC(=O)CSc2ncccc2C(=O)[O-])cc1 ZINC000000415162 956860040 /nfs/dbraw/zinc/86/00/40/956860040.db2.gz ISEYXRCYQRLYMJ-UHFFFAOYSA-N -1 0 330.409 3.634 20 0 EHADRM O=C([O-])c1c(NC(=O)c2cc3ccccc3o2)sc2c1CCC2 ZINC000003243159 956868976 /nfs/dbraw/zinc/86/89/76/956868976.db2.gz CYKMNNXKUAXOSN-UHFFFAOYSA-N -1 0 327.361 3.934 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)NCc1cccc(Cl)c1Cl ZINC001594709982 956873108 /nfs/dbraw/zinc/87/31/08/956873108.db2.gz UIHQDMIAFJWPDP-UHFFFAOYSA-N -1 0 338.190 3.551 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)Cn1ccc2ccc(Cl)cc21 ZINC001594714458 956910858 /nfs/dbraw/zinc/91/08/58/956910858.db2.gz WUVLCTISOCQVFD-UHFFFAOYSA-N -1 0 334.784 3.693 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cccc2c1CCCCC2)c1ccc(F)cc1 ZINC001594716269 956930478 /nfs/dbraw/zinc/93/04/78/956930478.db2.gz PNQGYKSDPDZFOX-GOSISDBHSA-N -1 0 341.382 3.650 20 0 EHADRM C[C@@]1(Cc2cccs2)CCCN1C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001589247588 956945936 /nfs/dbraw/zinc/94/59/36/956945936.db2.gz OYMBWAZTXLQXGT-QWNKOJSDSA-N -1 0 345.420 3.676 20 0 EHADRM CCOc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2C)cc1OCC ZINC000013169732 956952984 /nfs/dbraw/zinc/95/29/84/956952984.db2.gz WEAVOGQJTZVARL-UHFFFAOYSA-N -1 0 343.379 3.743 20 0 EHADRM Cc1cccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)[O-])c1 ZINC000013187725 956972409 /nfs/dbraw/zinc/97/24/09/956972409.db2.gz FBUCHXZOXIECET-LLVKDONJSA-N -1 0 333.771 3.753 20 0 EHADRM CCOc1ccc(C(C)=O)cc1CSc1ncccc1C(=O)[O-] ZINC000013188737 956975101 /nfs/dbraw/zinc/97/51/01/956975101.db2.gz MUABMWJRJXTWPB-UHFFFAOYSA-N -1 0 331.393 3.673 20 0 EHADRM C[C@@H](CCC(=O)Nc1nc2ccccn2c1C(=O)[O-])c1ccccc1 ZINC001603142230 972232824 /nfs/dbraw/zinc/23/28/24/972232824.db2.gz MTPGVLPAHBYMFI-ZDUSSCGKSA-N -1 0 337.379 3.555 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)[C@@H](F)CC2CCCCC2)c2ccccc21 ZINC001594725756 956998172 /nfs/dbraw/zinc/99/81/72/956998172.db2.gz DUBISWMOJUDUSJ-IXDOHACOSA-N -1 0 333.403 3.724 20 0 EHADRM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NC1(CC(=O)[O-])CCC1 ZINC000909060887 957000931 /nfs/dbraw/zinc/00/09/31/957000931.db2.gz XAHLIKPGTWEFLT-CQSZACIVSA-N -1 0 332.444 3.579 20 0 EHADRM Cc1cc(NC(=O)CCC[C@H](O)c2ccccc2)ccc1C(=O)[O-] ZINC000909223308 957009716 /nfs/dbraw/zinc/00/97/16/957009716.db2.gz RTVGEAPBLPUFIT-KRWDZBQOSA-N -1 0 327.380 3.536 20 0 EHADRM CC(C)C[C@@H](CNC(=O)C[C@@H](C)c1c[nH]c2ccccc21)C(=O)[O-] ZINC000909291765 957011743 /nfs/dbraw/zinc/01/17/43/957011743.db2.gz LZKKQRDZRFHUGQ-KGLIPLIRSA-N -1 0 330.428 3.525 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc(C(=O)[O-])cc1 ZINC000013308769 957015169 /nfs/dbraw/zinc/01/51/69/957015169.db2.gz SBWSORXDQJZLMK-NSHDSACASA-N -1 0 333.771 3.753 20 0 EHADRM Cc1cccc(OCCCC(=O)N[C@H](CC(=O)[O-])c2cccs2)c1 ZINC000013389169 957041337 /nfs/dbraw/zinc/04/13/37/957041337.db2.gz SOYJDJCJAGOKNK-OAHLLOKOSA-N -1 0 347.436 3.548 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)NC2CCCCCCC2)c2ccccc21 ZINC001594732835 957054293 /nfs/dbraw/zinc/05/42/93/957054293.db2.gz XJZQDKJUVBRWQC-SJORKVTESA-N -1 0 330.428 3.712 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1ccc(Cl)c(Cl)c1 ZINC000013448540 957087134 /nfs/dbraw/zinc/08/71/34/957087134.db2.gz KGEYJTWZCLNARF-UHFFFAOYSA-N -1 0 336.174 3.895 20 0 EHADRM C[C@H](CCOCc1ccccc1)Nc1ncc(C(=O)[O-])cc1Cl ZINC000389691406 972240844 /nfs/dbraw/zinc/24/08/44/972240844.db2.gz HASRYFFMSJOIFE-GFCCVEGCSA-N -1 0 334.803 3.841 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000019815737 957121607 /nfs/dbraw/zinc/12/16/07/957121607.db2.gz XNTUGWRGWHTLHQ-CYBMUJFWSA-N -1 0 327.380 3.916 20 0 EHADRM CCOc1cc(NC(=O)N2CCC[C@](CC)(C(=O)[O-])C2)ccc1C ZINC000926014027 957138609 /nfs/dbraw/zinc/13/86/09/957138609.db2.gz YDNCTOJKEVLFSU-SFHVURJKSA-N -1 0 334.416 3.502 20 0 EHADRM O=C([O-])c1cccc(NC(=O)CSCc2ccccc2Cl)c1 ZINC000021005240 957148628 /nfs/dbraw/zinc/14/86/28/957148628.db2.gz HZJDVQUSBXYEIZ-UHFFFAOYSA-N -1 0 335.812 3.910 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)N1CCC[C@H](CCC(=O)[O-])C1)C1CC1 ZINC001121810595 957208374 /nfs/dbraw/zinc/20/83/74/957208374.db2.gz LHZUOSJZFLPZSH-BEFAXECRSA-N -1 0 344.455 3.733 20 0 EHADRM Cc1oc(COc2ccc(C)cc2Br)cc1C(=O)[O-] ZINC000035431851 957211400 /nfs/dbraw/zinc/21/14/00/957211400.db2.gz LFMDLVYJGXOJMU-UHFFFAOYSA-N -1 0 325.158 3.936 20 0 EHADRM CCC[C@@](C)(NC(=O)c1sc2ccccc2c1Cl)C(=O)[O-] ZINC000036337735 957229877 /nfs/dbraw/zinc/22/98/77/957229877.db2.gz BCNLZTRAYDRCBH-OAHLLOKOSA-N -1 0 325.817 3.928 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)/C=C/c2ccc(Cl)s2)c1 ZINC000037402811 957275076 /nfs/dbraw/zinc/27/50/76/957275076.db2.gz YDTAWIJIRUHQPH-ZZXKWVIFSA-N -1 0 325.748 3.891 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)c1sc2ccccc2c1Cl)C(=O)[O-] ZINC000037410961 957279080 /nfs/dbraw/zinc/27/90/80/957279080.db2.gz FLSCWVIEBNLUKT-QPUJVOFHSA-N -1 0 325.817 3.784 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3)s2)C1 ZINC001319464339 957303753 /nfs/dbraw/zinc/30/37/53/957303753.db2.gz NMOCHVVCXCUHDL-CYBMUJFWSA-N -1 0 329.421 3.742 20 0 EHADRM Cc1cc(C(=O)[O-])c(NC(=O)CCOc2c(C)cccc2C)s1 ZINC000389952758 972257408 /nfs/dbraw/zinc/25/74/08/972257408.db2.gz NVIAVQDYBRCTRB-UHFFFAOYSA-N -1 0 333.409 3.779 20 0 EHADRM Cc1csc(CN[C@@](C)(C(=O)[O-])c2ccc(Cl)c(Cl)c2)n1 ZINC000041812723 957398226 /nfs/dbraw/zinc/39/82/26/957398226.db2.gz HAAPUXRAUFYJDL-CQSZACIVSA-N -1 0 345.251 3.848 20 0 EHADRM Cc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1Br ZINC000066145881 957645059 /nfs/dbraw/zinc/64/50/59/957645059.db2.gz MOEQYVDHCBJOTN-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM CCc1nc2ccc(Cl)cn2c1C(=O)Nc1ccccc1C(=O)[O-] ZINC000071448811 957724624 /nfs/dbraw/zinc/72/46/24/957724624.db2.gz YBYCVCFTNDYOIU-UHFFFAOYSA-N -1 0 343.770 3.501 20 0 EHADRM CCc1cccc(OCC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000075284000 957741754 /nfs/dbraw/zinc/74/17/54/957741754.db2.gz USXGDJIUWKZCFN-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM Cc1cc(C(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)cnc1F ZINC001594281382 957748014 /nfs/dbraw/zinc/74/80/14/957748014.db2.gz KWTCCZPKUOYABF-MRVPVSSYSA-N -1 0 348.399 3.666 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CSc1ccc(Br)cn1 ZINC000079421679 957755637 /nfs/dbraw/zinc/75/56/37/957755637.db2.gz PUBXSXCESOSOTA-UHFFFAOYSA-N -1 0 328.187 3.736 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2c(F)cccc2NC2CC2)c1 ZINC001594288260 957795258 /nfs/dbraw/zinc/79/52/58/957795258.db2.gz GWPYNKXOGJTOSQ-UHFFFAOYSA-N -1 0 328.343 3.659 20 0 EHADRM O=C([O-])c1c(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)nc2ccccn21 ZINC001574788728 957797275 /nfs/dbraw/zinc/79/72/75/957797275.db2.gz WBQJWSHWIDVIOL-MELADBBJSA-N -1 0 341.411 3.578 20 0 EHADRM O=C([O-])c1cc(NC(=O)N(Cc2ccccc2)CC2CCC2)ccn1 ZINC001574790579 957807526 /nfs/dbraw/zinc/80/75/26/957807526.db2.gz XHYKWVYUJMNONI-UHFFFAOYSA-N -1 0 339.395 3.614 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2nc(C3CCCCC3)cs2)nc1 ZINC001574796933 957826389 /nfs/dbraw/zinc/82/63/89/957826389.db2.gz SZIQLCMPFCAKCF-UHFFFAOYSA-N -1 0 331.397 3.536 20 0 EHADRM O=C([O-])c1cccc(C(=O)NC2(Cc3cccc(Cl)c3)CC2)c1 ZINC001574807584 957863266 /nfs/dbraw/zinc/86/32/66/957863266.db2.gz OJUYGHHWYUHSHS-UHFFFAOYSA-N -1 0 329.783 3.543 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2ccc(Oc3ccccc3)cn2)c1 ZINC001574809346 957868032 /nfs/dbraw/zinc/86/80/32/957868032.db2.gz MRYFCLJCOGHRRZ-UHFFFAOYSA-N -1 0 348.358 3.502 20 0 EHADRM O=C([O-])CC1(CC(=O)N[C@@H]2CCSc3ccccc32)CCCC1 ZINC000390976346 972311176 /nfs/dbraw/zinc/31/11/76/972311176.db2.gz ARKBKCMRRAUYKX-CQSZACIVSA-N -1 0 333.453 3.765 20 0 EHADRM CCN(C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)C1CCCCC1 ZINC001340586534 957944140 /nfs/dbraw/zinc/94/41/40/957944140.db2.gz WRJADMVFADRNAG-IAGOWNOFSA-N -1 0 330.428 3.664 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)N[C@H]1C[C@H](c2ccccc2F)C1 ZINC001341365138 957985615 /nfs/dbraw/zinc/98/56/15/957985615.db2.gz XXMHXJHXNOLNRO-KKUMJFAQSA-N -1 0 348.418 3.501 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)C1 ZINC001342629985 958009509 /nfs/dbraw/zinc/00/95/09/958009509.db2.gz ZFLVCGDNOFLIQU-HNNXBMFYSA-N -1 0 347.308 3.562 20 0 EHADRM COc1cc(C)cc(NC(=O)Nc2cccc(CC(=O)[O-])c2)c1C ZINC001594054486 958017336 /nfs/dbraw/zinc/01/73/36/958017336.db2.gz NLRZZGPSFXVYCO-UHFFFAOYSA-N -1 0 328.368 3.583 20 0 EHADRM CCC(CC)(CC)CNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000391061909 972314664 /nfs/dbraw/zinc/31/46/64/972314664.db2.gz AYZGDABAQBPCHV-UHFFFAOYSA-N -1 0 347.864 3.533 20 0 EHADRM COc1cc(C)ccc1NCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001594057911 958054069 /nfs/dbraw/zinc/05/40/69/958054069.db2.gz RNCGMUMWNRCDBO-AWEZNQCLSA-N -1 0 344.411 3.510 20 0 EHADRM Cc1cc(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cc(C(F)(F)F)c1 ZINC001594317760 958088977 /nfs/dbraw/zinc/08/89/77/958088977.db2.gz BUJFXOAIVDFMJU-WDEREUQCSA-N -1 0 344.333 3.588 20 0 EHADRM CN(C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)C1CCCCCC1 ZINC000391159235 972321275 /nfs/dbraw/zinc/32/12/75/972321275.db2.gz MNFRSZURJWKCHP-UHFFFAOYSA-N -1 0 326.343 3.850 20 0 EHADRM Cc1cc(NC(=O)Nc2cccc(CC(=O)[O-])c2)c(C)c(C)c1O ZINC001594323366 958141023 /nfs/dbraw/zinc/14/10/23/958141023.db2.gz ISVCKTJHYXSFAE-UHFFFAOYSA-N -1 0 328.368 3.589 20 0 EHADRM C[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000391215108 972324240 /nfs/dbraw/zinc/32/42/40/972324240.db2.gz RYKRJGKXLJWRFM-NOZJJQNGSA-N -1 0 326.343 3.705 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1C(=O)N(CC(=O)[O-])C(C)C ZINC001594328004 958189788 /nfs/dbraw/zinc/18/97/88/958189788.db2.gz DHSIQWNLBSFPPA-UHFFFAOYSA-N -1 0 327.380 3.723 20 0 EHADRM O=C([O-])c1ccccc1CCNC(=O)Nc1ccc(Cl)cc1F ZINC000391280431 972327051 /nfs/dbraw/zinc/32/70/51/972327051.db2.gz MZIDVBXHROESJA-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM Cc1ccc(SCCC(=O)N2CCCCC[C@@H]2C(=O)[O-])cc1C ZINC000391286939 972327990 /nfs/dbraw/zinc/32/79/90/972327990.db2.gz NECVTJKQMGYUKY-MRXNPFEDSA-N -1 0 335.469 3.641 20 0 EHADRM Cc1cc2scc(CC(=O)N3CCC[C@H](C)[C@@H]3C(=O)[O-])c2s1 ZINC001594333483 958247377 /nfs/dbraw/zinc/24/73/77/958247377.db2.gz WXBHLRUDQXIMMG-LKFCYVNXSA-N -1 0 337.466 3.525 20 0 EHADRM COc1ccc(C(=O)Nc2ccccc2C(=O)[O-])c(OCC(C)C)c1 ZINC001594080229 958255162 /nfs/dbraw/zinc/25/51/62/958255162.db2.gz WKRUXJCBTBUAOU-UHFFFAOYSA-N -1 0 343.379 3.681 20 0 EHADRM Cc1ccc(-c2ocnc2C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001594336789 958269741 /nfs/dbraw/zinc/26/97/41/958269741.db2.gz BDVKFPATQDIVDG-AWEZNQCLSA-N -1 0 344.411 3.659 20 0 EHADRM COc1ccc(C2CC2)c(NC(=O)c2coc(/C=C\C(=O)[O-])c2)c1 ZINC001594085252 958305456 /nfs/dbraw/zinc/30/54/56/958305456.db2.gz HTQLKAZQLMIELS-ALCCZGGFSA-N -1 0 327.336 3.516 20 0 EHADRM Cc1ccc(C(=O)Nc2cncc(C(=O)[O-])c2)c(Cl)c1Cl ZINC001594347748 958331384 /nfs/dbraw/zinc/33/13/84/958331384.db2.gz RKXRDOSLQKKEOR-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2cccnc2C(=O)[O-])c1 ZINC001594349543 958336222 /nfs/dbraw/zinc/33/62/22/958336222.db2.gz KLVOFKICIDJRSW-CYBMUJFWSA-N -1 0 342.395 3.618 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])C2)cc1 ZINC001594353478 958384773 /nfs/dbraw/zinc/38/47/73/958384773.db2.gz BUIVPJAVAZXQEU-CGTJXYLNSA-N -1 0 346.471 3.629 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2cc(C(=O)[O-])ccn2)o1 ZINC001594354041 958396099 /nfs/dbraw/zinc/39/60/99/958396099.db2.gz KTUJOHSZLXIBSB-FZMZJTMJSA-N -1 0 343.383 3.686 20 0 EHADRM O=C([O-])[C@]1(C(F)(F)F)CCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000111242167 958414390 /nfs/dbraw/zinc/41/43/90/958414390.db2.gz HSEYAICGTUHHJH-LBPRGKRZSA-N -1 0 342.144 3.832 20 0 EHADRM COc1ccc(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)c2ccccc12 ZINC001594106405 958469873 /nfs/dbraw/zinc/46/98/73/958469873.db2.gz TWTBSZDCRDVAPR-CYBMUJFWSA-N -1 0 342.395 3.567 20 0 EHADRM COc1ccc([C@H](C)NC(=O)Nc2cccc(CC(=O)[O-])c2)cc1C ZINC001594112306 958525652 /nfs/dbraw/zinc/52/56/52/958525652.db2.gz JJGBOFFDIZVOKG-ZDUSSCGKSA-N -1 0 342.395 3.513 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cccc(-c2ccoc2)c1)c1ccc(F)cc1 ZINC001605729169 972358121 /nfs/dbraw/zinc/35/81/21/972358121.db2.gz IRCKDXFEPKEXPP-QGZVFWFLSA-N -1 0 339.322 3.641 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000391639466 972351825 /nfs/dbraw/zinc/35/18/25/972351825.db2.gz QSFIJOVCPMWUQH-HNNXBMFYSA-N -1 0 329.783 3.867 20 0 EHADRM C[C@@](NC(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C)(C(=O)[O-])c1ccccc1 ZINC001603234438 972363977 /nfs/dbraw/zinc/36/39/77/972363977.db2.gz NYTBMDQWPZQPPK-WWMYMODYSA-N -1 0 337.419 3.542 20 0 EHADRM Cc1ccc(Oc2ccccc2CNC(=O)[C@]2(C(=O)[O-])C[C@H]2C)cc1 ZINC001594376898 958596029 /nfs/dbraw/zinc/59/60/29/958596029.db2.gz JZCLKGYTGWNHDJ-VLIAUNLRSA-N -1 0 339.391 3.514 20 0 EHADRM Cc1ccc2cc(C(=O)N[C@@H]3C[C@H](C(=O)[O-])c4ccccc43)ccc2n1 ZINC001594382219 958644106 /nfs/dbraw/zinc/64/41/06/958644106.db2.gz RQZFZLQRVHKLTK-PKOBYXMFSA-N -1 0 346.386 3.586 20 0 EHADRM Cc1ccc2c(c1C)N(C(=O)/C=C\c1ccc(C(=O)[O-])o1)CCC2 ZINC001594382292 958645527 /nfs/dbraw/zinc/64/55/27/958645527.db2.gz YIDMCGNWYZMNFM-NTMALXAHSA-N -1 0 325.364 3.587 20 0 EHADRM O=C([O-])[C@H](NC(=O)Cc1ccc(Cl)cc1Cl)c1cccs1 ZINC000129604551 958711946 /nfs/dbraw/zinc/71/19/46/958711946.db2.gz JCRCCMSQMQEXSJ-CYBMUJFWSA-N -1 0 344.219 3.540 20 0 EHADRM Cc1cccc(C2(C(=O)Nc3ccc(F)c(C(=O)[O-])c3)CCC2)c1 ZINC000391826242 972379327 /nfs/dbraw/zinc/37/93/27/972379327.db2.gz XCUZFMCTLSNHNB-UHFFFAOYSA-N -1 0 327.355 3.893 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)c(Cl)c1 ZINC000391884181 972386194 /nfs/dbraw/zinc/38/61/94/972386194.db2.gz WZFCPFZEQDXSOL-ZDUSSCGKSA-N -1 0 329.783 3.867 20 0 EHADRM Cc1cccc2cc(C(=O)N3CCCC[C@H]3CC(=O)[O-])c(Cl)nc12 ZINC001594412698 958958587 /nfs/dbraw/zinc/95/85/87/958958587.db2.gz LOJVSCRUSMKNIQ-ZDUSSCGKSA-N -1 0 346.814 3.666 20 0 EHADRM Cc1ccccc1-c1cnc(NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)s1 ZINC001594413509 958970581 /nfs/dbraw/zinc/97/05/81/958970581.db2.gz FFNPMDOYULUKPI-QGZVFWFLSA-N -1 0 330.409 3.558 20 0 EHADRM CC(C)=C[C@H]1[C@H](C(=O)Nc2sc3c(c2C(=O)[O-])COCC3)C1(C)C ZINC001573484332 958984119 /nfs/dbraw/zinc/98/41/19/958984119.db2.gz HBJZMCDEKWTPKY-SMDDNHRTSA-N -1 0 349.452 3.696 20 0 EHADRM COc1ccc(CCC(=O)Nc2sc(C)c(C)c2C(=O)[O-])cc1 ZINC000145856297 958991465 /nfs/dbraw/zinc/99/14/65/958991465.db2.gz VLKITHSXMJCSPX-UHFFFAOYSA-N -1 0 333.409 3.643 20 0 EHADRM CC(C)[C@H](CCc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001573489195 958992964 /nfs/dbraw/zinc/99/29/64/958992964.db2.gz AKAUOSRRNKDYOZ-INIZCTEOSA-N -1 0 326.396 3.623 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1nc(/C=C\c2ccccc2)cs1 ZINC001573489891 959009989 /nfs/dbraw/zinc/00/99/89/959009989.db2.gz LJCBTYUXGFQHPR-CKXPSTMWSA-N -1 0 330.409 3.609 20 0 EHADRM C[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)[C@H](C)C(C)(C)C ZINC001588551072 959019548 /nfs/dbraw/zinc/01/95/48/959019548.db2.gz PNNUQWWLKKZBLO-YQFWSFKMSA-N -1 0 331.456 3.632 20 0 EHADRM Cc1ccccc1COC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001594418174 959033189 /nfs/dbraw/zinc/03/31/89/959033189.db2.gz MPLWJLWZHRJCQG-SJORKVTESA-N -1 0 325.364 3.534 20 0 EHADRM CC(C)[C@H](CNC(=O)Nc1cccc(CCC(F)(F)F)c1)C(=O)[O-] ZINC001573498614 959041203 /nfs/dbraw/zinc/04/12/03/959041203.db2.gz KCUWNCHBSMPLIQ-ZDUSSCGKSA-N -1 0 346.349 3.660 20 0 EHADRM Cc1ccccc1Oc1ccc(C(=O)Nc2ccnc(C(=O)[O-])c2)nc1 ZINC001594418822 959041548 /nfs/dbraw/zinc/04/15/48/959041548.db2.gz LXCZZYJNRBJFKW-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM CC(C)[C@@H](NC(=O)NCc1cccc(C(=O)[O-])c1)c1ccccc1F ZINC001573498690 959042391 /nfs/dbraw/zinc/04/23/91/959042391.db2.gz FRPAJFKBECGPQU-QGZVFWFLSA-N -1 0 344.386 3.720 20 0 EHADRM CC(C)[C@]1(C)C[C@@H]1C(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21 ZINC001573500156 959055015 /nfs/dbraw/zinc/05/50/15/959055015.db2.gz OTEDNKAFRIEYGT-KKVAFCGZSA-N -1 0 329.440 3.739 20 0 EHADRM CC(C)[C@@H]1CCCCCN1C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001573502904 959075931 /nfs/dbraw/zinc/07/59/31/959075931.db2.gz VUUFFPOMFVWIBS-PXNSSMCTSA-N -1 0 346.471 3.639 20 0 EHADRM CSc1ccc(/C=C\C(=O)NC[C@H](CC(=O)[O-])CC(C)C)s1 ZINC001594194344 959187724 /nfs/dbraw/zinc/18/77/24/959187724.db2.gz INMIPCCSDGVTCE-RNZFLTOJSA-N -1 0 341.498 3.736 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)Nc2cncc(C(=O)[O-])c2)c1 ZINC001573543922 959196842 /nfs/dbraw/zinc/19/68/42/959196842.db2.gz MXEJQPBZYGIRPN-ZDUSSCGKSA-N -1 0 326.396 3.721 20 0 EHADRM Cc1cnn(-c2ccc(NCc3ccc(C(=O)[O-])s3)cc2F)c1 ZINC001594434661 959215327 /nfs/dbraw/zinc/21/53/27/959215327.db2.gz MAODMPRUUFBPGS-UHFFFAOYSA-N -1 0 331.372 3.692 20 0 EHADRM CSc1ccccc1[C@@H](C)NC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C ZINC001594198059 959216658 /nfs/dbraw/zinc/21/66/58/959216658.db2.gz VCXOYTLHOMEUQM-LLVKDONJSA-N -1 0 335.469 3.723 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)NCCC(C)(C)C(=O)[O-])CC2 ZINC001573567337 959293981 /nfs/dbraw/zinc/29/39/81/959293981.db2.gz UBSJDENCTWASFK-MRXNPFEDSA-N -1 0 332.444 3.597 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)C3(C(=O)[O-])CCCCC3)c2)[nH]c1C ZINC001594443809 959312546 /nfs/dbraw/zinc/31/25/46/959312546.db2.gz UZLSIKJBKDDHME-UHFFFAOYSA-N -1 0 341.411 3.667 20 0 EHADRM Cc1nc(-c2ccc(C(=O)Nc3cccnc3C(=O)[O-])s2)cs1 ZINC001594444258 959316569 /nfs/dbraw/zinc/31/65/69/959316569.db2.gz TYNBWDMITJRYEJ-UHFFFAOYSA-N -1 0 345.405 3.526 20 0 EHADRM Cc1c2ccccc2oc1C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC000392176906 972421074 /nfs/dbraw/zinc/42/10/74/972421074.db2.gz WRBCCRSPMHNACD-HNNXBMFYSA-N -1 0 329.396 3.895 20 0 EHADRM Cc1nc(C)c(Br)c(N[C@@H](CCC(C)(C)C)C(=O)[O-])n1 ZINC001594449092 959345910 /nfs/dbraw/zinc/34/59/10/959345910.db2.gz FRAKOZFSVSAZDH-JTQLQIEISA-N -1 0 344.253 3.547 20 0 EHADRM CC(C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000179953342 959434928 /nfs/dbraw/zinc/43/49/28/959434928.db2.gz FKILNCXMQUNVCK-ZIAGYGMSSA-N -1 0 346.427 3.501 20 0 EHADRM Cc1csc(-c2ccc(NC(=O)c3cc(C(=O)[O-])co3)cc2)n1 ZINC000183777172 959448703 /nfs/dbraw/zinc/44/87/03/959448703.db2.gz CWKSMIXVRSRPJT-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM CCc1ccc([C@@H]2CCCCCN2C(=O)c2cc(C(=O)[O-])co2)o1 ZINC000183796289 959448753 /nfs/dbraw/zinc/44/87/53/959448753.db2.gz WAIXUPYTYXNDPJ-AWEZNQCLSA-N -1 0 331.368 3.891 20 0 EHADRM CCN(C(=O)c1cc(C(=O)[O-])co1)[C@H](C)c1cc2ccccc2o1 ZINC000183773006 959448905 /nfs/dbraw/zinc/44/89/05/959448905.db2.gz QULRKNZJHIIIQG-LLVKDONJSA-N -1 0 327.336 3.947 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1cc(C(=O)[O-])co1)C1CC1 ZINC000183808314 959451124 /nfs/dbraw/zinc/45/11/24/959451124.db2.gz MFDDLMORCUYRRE-JTQLQIEISA-N -1 0 333.771 3.997 20 0 EHADRM Cc1c(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cnn1C1CCCC1 ZINC000190610144 959514450 /nfs/dbraw/zinc/51/44/50/959514450.db2.gz JKNIIPRMYQSJSC-UHFFFAOYSA-N -1 0 347.802 3.911 20 0 EHADRM Cc1ncc(-c2ccc(NC(=O)C3(C(=O)[O-])C(C)(C)C3(C)C)cc2)o1 ZINC001594467915 959516376 /nfs/dbraw/zinc/51/63/76/959516376.db2.gz KJYINYIRNJYNHU-UHFFFAOYSA-N -1 0 342.395 3.726 20 0 EHADRM Cc1noc(C)c1[C@@H](C)CC(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000190765967 959520562 /nfs/dbraw/zinc/52/05/62/959520562.db2.gz IVJLEWUHYBHYQA-BLLLJJGKSA-N -1 0 344.411 3.507 20 0 EHADRM C[C@H](OC(=O)C1(C(=O)[O-])CCSCC1)c1cc(Cl)ccc1F ZINC001594242166 959540264 /nfs/dbraw/zinc/54/02/64/959540264.db2.gz ABSPSILRBJDFIP-VIFPVBQESA-N -1 0 346.807 3.681 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)CC2CCC(C(F)(F)F)CC2)C1 ZINC000191205612 959545623 /nfs/dbraw/zinc/54/56/23/959545623.db2.gz HZTNIHSJIPSIMO-MOKVOYLWSA-N -1 0 349.393 3.849 20 0 EHADRM Cc1cccc(OCCC(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC000191427586 959565384 /nfs/dbraw/zinc/56/53/84/959565384.db2.gz HXXQZCPJSBWSBZ-OAHLLOKOSA-N -1 0 341.407 3.666 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2ccccc2OC(F)F)cc1)C(=O)[O-] ZINC000191426213 959565713 /nfs/dbraw/zinc/56/57/13/959565713.db2.gz ZIRCMJOJLQUBPN-NSHDSACASA-N -1 0 349.333 3.804 20 0 EHADRM CSc1ccccc1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000191446289 959570014 /nfs/dbraw/zinc/57/00/14/959570014.db2.gz ZOYZQWRJUCQCNH-LBPRGKRZSA-N -1 0 329.421 3.924 20 0 EHADRM Cc1cc(C)cc(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000191528305 959577883 /nfs/dbraw/zinc/57/78/83/959577883.db2.gz WQXUQTCZORSLQF-GOSISDBHSA-N -1 0 325.408 3.509 20 0 EHADRM Cc1ncsc1/C=C\C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001594475262 959588857 /nfs/dbraw/zinc/58/88/57/959588857.db2.gz ZMXPZBUHJRGZMZ-PLNGDYQASA-N -1 0 340.763 3.594 20 0 EHADRM C[C@@H](OC(=O)C1(CC(=O)[O-])CCC1)c1ccc(OC(F)F)cc1 ZINC001573635842 959592399 /nfs/dbraw/zinc/59/23/99/959592399.db2.gz NFYLMOMEBIRTDU-SNVBAGLBSA-N -1 0 328.311 3.537 20 0 EHADRM Cc1c(Br)cccc1CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001594252181 959618813 /nfs/dbraw/zinc/61/88/13/959618813.db2.gz KGQJUWYPAWAECV-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM C[C@H](c1ccc(C(=O)Nc2cc(C(=O)[O-])ccn2)cc1)C(F)(F)F ZINC001573644443 959632133 /nfs/dbraw/zinc/63/21/33/959632133.db2.gz YJQLLKOJTXOXOS-SECBINFHSA-N -1 0 338.285 3.698 20 0 EHADRM CCC1CCC(NC(=O)Cc2c(F)cccc2Cl)(C(=O)[O-])CC1 ZINC000200507085 959636978 /nfs/dbraw/zinc/63/69/78/959636978.db2.gz XHQOHZTXTMNISY-UHFFFAOYSA-N -1 0 341.810 3.561 20 0 EHADRM O=C(/C=C\c1ccco1)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC000206806119 959663215 /nfs/dbraw/zinc/66/32/15/959663215.db2.gz NZWUPYZWSCDIAB-CLFYSBASSA-N -1 0 340.379 3.620 20 0 EHADRM Cc1c2nc(NC(=O)/C=C\c3ccc(C(=O)[O-])o3)sc2ccc1F ZINC001594262666 959710554 /nfs/dbraw/zinc/71/05/54/959710554.db2.gz QRYIXCDNMWYGQV-CLTKARDFSA-N -1 0 346.339 3.687 20 0 EHADRM CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001588642982 959710947 /nfs/dbraw/zinc/71/09/47/959710947.db2.gz IMZABQRQHNKRAV-ARFHVFGLSA-N -1 0 338.492 3.735 20 0 EHADRM CC1(C)CCc2ccccc2[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001573675732 959723615 /nfs/dbraw/zinc/72/36/15/959723615.db2.gz NENJBBHMMRYJMO-UXLLHSPISA-N -1 0 329.440 3.707 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)C[C@@H](c1ccc(O)cc1)C1CC1)C(=O)[O-] ZINC001588646812 959741685 /nfs/dbraw/zinc/74/16/85/959741685.db2.gz ZICGRJHIMXNAQZ-SJORKVTESA-N -1 0 347.455 3.672 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)c1[nH]ccc1-c1ccccc1)C(=O)[O-] ZINC001588648717 959750640 /nfs/dbraw/zinc/75/06/40/959750640.db2.gz PYOHWORYZHROME-OAHLLOKOSA-N -1 0 328.412 3.691 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)c2cc(Cl)sc2Cl)cc1 ZINC000223833455 959843896 /nfs/dbraw/zinc/84/38/96/959843896.db2.gz MDPQZQPNZXVZGK-UHFFFAOYSA-N -1 0 344.219 3.726 20 0 EHADRM COc1ccc(NCc2cc(C)c(C(=O)[O-])o2)cc1Br ZINC000234944846 960378009 /nfs/dbraw/zinc/37/80/09/960378009.db2.gz PPNRAPXVKDFEQT-UHFFFAOYSA-N -1 0 340.173 3.669 20 0 EHADRM C[C@@H]1CCN(C(=O)C(C)(C)c2cccc3ccccc32)C[C@H]1C(=O)[O-] ZINC001573725691 960402422 /nfs/dbraw/zinc/40/24/22/960402422.db2.gz GYBGHQTXIUXVPT-RHSMWYFYSA-N -1 0 339.435 3.687 20 0 EHADRM COc1ccc2sc(C(=O)Nc3ccnc(C(=O)[O-])c3)c(C)c2c1 ZINC001574227229 960405537 /nfs/dbraw/zinc/40/55/37/960405537.db2.gz UQFHYLRORBLERQ-UHFFFAOYSA-N -1 0 342.376 3.564 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)Nc2cncc(C(=O)[O-])c2)c1 ZINC001574233093 960423735 /nfs/dbraw/zinc/42/37/35/960423735.db2.gz KEBCAEPGGSPGCX-CYBMUJFWSA-N -1 0 342.395 3.701 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NC[C@H]1C[C@H]1C1CCCC1)C(=O)[O-] ZINC001123294549 960449165 /nfs/dbraw/zinc/44/91/65/960449165.db2.gz ACDNEJHDKUBXLB-BJJXKVORSA-N -1 0 347.480 3.808 20 0 EHADRM COc1ccccc1[C@@H](C)NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001574238931 960454196 /nfs/dbraw/zinc/45/41/96/960454196.db2.gz HRAFKNJMSJKPSC-CYBMUJFWSA-N -1 0 342.395 3.595 20 0 EHADRM C[C@H]1CCc2c(sc3ncnc(N4CCC[C@H](CC(=O)[O-])C4)c32)C1 ZINC001573738678 960471833 /nfs/dbraw/zinc/47/18/33/960471833.db2.gz JMDSECHPIDQNMI-NWDGAFQWSA-N -1 0 345.468 3.507 20 0 EHADRM Cn1c(C(=O)[O-])ccc1[C@H]1CCCCN1C(=O)CC(C)(C)C1CC1 ZINC001123398531 960482765 /nfs/dbraw/zinc/48/27/65/960482765.db2.gz NKJCJPJOJVIDFZ-OAHLLOKOSA-N -1 0 332.444 3.603 20 0 EHADRM C[C@H]1O[C@@H](C)Cc2c(C(=O)[O-])c(NC(=O)Cc3ccccc3)sc21 ZINC001573747594 960508055 /nfs/dbraw/zinc/50/80/55/960508055.db2.gz QDLZUQPCDJAOHU-WDEREUQCSA-N -1 0 345.420 3.650 20 0 EHADRM O=C([O-])c1ccc(NCCC(c2ccccc2)c2ccccc2)nn1 ZINC001168749099 960512029 /nfs/dbraw/zinc/51/20/29/960512029.db2.gz UIDFGBHWSJNPNG-UHFFFAOYSA-N -1 0 333.391 3.809 20 0 EHADRM C[C@@H](NC(=O)[C@H](C(=O)[O-])C1CCCC1)c1cc(Cl)ccc1F ZINC001574259983 960564682 /nfs/dbraw/zinc/56/46/82/960564682.db2.gz SNIIYVOHJDGSMX-YMTOWFKASA-N -1 0 327.783 3.547 20 0 EHADRM C[C@@H](NC(=O)NCc1cccc(C(=O)[O-])c1)c1cc2ccccc2o1 ZINC001574261288 960570144 /nfs/dbraw/zinc/57/01/44/960570144.db2.gz MHPHITYXYXAAQO-GFCCVEGCSA-N -1 0 338.363 3.691 20 0 EHADRM C[C@@H](NC(=O)c1coc(/C=C/C(=O)[O-])c1)c1cc2ccccc2o1 ZINC001574261399 960572534 /nfs/dbraw/zinc/57/25/34/960572534.db2.gz SZLFCSGTUYCHJB-XUIVZRPNSA-N -1 0 325.320 3.615 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)N[C@@H](CC1CC1)c1ccccc1 ZINC001605806617 972518986 /nfs/dbraw/zinc/51/89/86/972518986.db2.gz JFOPNTQCYNTGRV-SFHVURJKSA-N -1 0 338.407 3.725 20 0 EHADRM O=C([O-])c1ccc(CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)o1 ZINC000236473434 960658699 /nfs/dbraw/zinc/65/86/99/960658699.db2.gz CCDRVYWQJCOTOC-UHFFFAOYSA-N -1 0 331.111 3.805 20 0 EHADRM C[C@H](OC(=O)C1(C(=O)[O-])CCCCCC1)c1ccc2c(c1)CCO2 ZINC001574289390 960673717 /nfs/dbraw/zinc/67/37/17/960673717.db2.gz LVKGLHZSDQQIOA-ZDUSSCGKSA-N -1 0 332.396 3.651 20 0 EHADRM O=C([O-])c1cccc(CNCc2cc(F)ccc2Br)c1 ZINC000236485998 960674416 /nfs/dbraw/zinc/67/44/16/960674416.db2.gz HQIZJVWIKGAFRT-UHFFFAOYSA-N -1 0 338.176 3.576 20 0 EHADRM O=C([O-])c1cnc(Oc2cc(F)c(Cl)cc2Br)nc1 ZINC000236487414 960676693 /nfs/dbraw/zinc/67/66/93/960676693.db2.gz FJHPWFHAELXFOH-UHFFFAOYSA-N -1 0 347.527 3.522 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C/C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001573776804 960696476 /nfs/dbraw/zinc/69/64/76/960696476.db2.gz RKMLFRPSDGJMJI-MMQHEFTJSA-N -1 0 340.379 3.609 20 0 EHADRM Cc1c(F)c(C(F)(F)F)ccc1C(=O)NC1(C(=O)[O-])CCCCC1 ZINC001574297023 960700256 /nfs/dbraw/zinc/70/02/56/960700256.db2.gz ZALUIWYZDQHERY-UHFFFAOYSA-N -1 0 347.308 3.670 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000236579225 960711631 /nfs/dbraw/zinc/71/16/31/960711631.db2.gz KIEZSBFTNWGSAF-UHFFFAOYSA-N -1 0 327.380 3.743 20 0 EHADRM CCC(CC)(CNC(=O)CCCc1ccccc1Cl)C(=O)[O-] ZINC001573783699 960719351 /nfs/dbraw/zinc/71/93/51/960719351.db2.gz TXWXXBRBPHSDFT-UHFFFAOYSA-N -1 0 325.836 3.670 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1ccc(C(C)C)cc1 ZINC000236625430 960719591 /nfs/dbraw/zinc/71/95/91/960719591.db2.gz CQBHQOJWXVLKPF-UHFFFAOYSA-N -1 0 327.380 3.834 20 0 EHADRM CCCCC[C@H](NC(=O)c1ccc(Oc2ccccc2)o1)C(=O)[O-] ZINC000236679254 960731275 /nfs/dbraw/zinc/73/12/75/960731275.db2.gz LUKQQQQNOAKXDZ-AWEZNQCLSA-N -1 0 331.368 3.835 20 0 EHADRM CC(C)(C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1cccc(Cl)c1 ZINC000236690374 960733177 /nfs/dbraw/zinc/73/31/77/960733177.db2.gz QJYMCVZRFHHXBR-ZDUSSCGKSA-N -1 0 337.847 3.721 20 0 EHADRM CC(C)COc1ccc(NC(=O)c2ccc(C(=O)[O-])cn2)cc1Cl ZINC000236688423 960733714 /nfs/dbraw/zinc/73/37/14/960733714.db2.gz MAVYIRPIKRNRGL-UHFFFAOYSA-N -1 0 348.786 3.720 20 0 EHADRM CC(C)COc1cccc(C(=O)Nc2cc(C(=O)[O-])ccc2F)c1 ZINC000236697315 960734208 /nfs/dbraw/zinc/73/42/08/960734208.db2.gz LZFVCSJIOBEZRG-UHFFFAOYSA-N -1 0 331.343 3.811 20 0 EHADRM CC(C)[C@H](NC(=O)c1ccc(SCc2ccccc2)cc1)C(=O)[O-] ZINC000236772091 960755667 /nfs/dbraw/zinc/75/56/67/960755667.db2.gz DSKCYICJZJEZCH-KRWDZBQOSA-N -1 0 343.448 3.818 20 0 EHADRM CCC(CC)(CNC(=O)c1ccc(SC(F)F)cc1)C(=O)[O-] ZINC000236882039 960788797 /nfs/dbraw/zinc/78/87/97/960788797.db2.gz SLPOBRUHVITOBZ-UHFFFAOYSA-N -1 0 331.384 3.622 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000236937944 960803753 /nfs/dbraw/zinc/80/37/53/960803753.db2.gz XMPPLFPBMRPMSI-FIXISWKDSA-N -1 0 345.361 3.815 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000236949746 960809457 /nfs/dbraw/zinc/80/94/57/960809457.db2.gz POIYINLDWONXHV-DOTOQJQBSA-N -1 0 331.456 3.846 20 0 EHADRM CC[C@H](C)NC(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000236991748 960827522 /nfs/dbraw/zinc/82/75/22/960827522.db2.gz AQVILOISEMNQHX-NSHDSACASA-N -1 0 333.409 3.798 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC001573809065 960868080 /nfs/dbraw/zinc/86/80/80/960868080.db2.gz IVRNFUFZJZBKGL-PXNSSMCTSA-N -1 0 329.440 3.586 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc(-c3ccccc3)s2)C[C@H]1C1CC1 ZINC001263222366 960870718 /nfs/dbraw/zinc/87/07/18/960870718.db2.gz ADVHTAXSYFOEKD-LSDHHAIUSA-N -1 0 341.432 3.598 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H](C)Oc1cc(C(C)C)ccc1C ZINC000237108472 960872975 /nfs/dbraw/zinc/87/29/75/960872975.db2.gz HDGVWWVQOBFTCV-AUUYWEPGSA-N -1 0 335.444 3.645 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000237115413 960873682 /nfs/dbraw/zinc/87/36/82/960873682.db2.gz FOIOPHAMIXHVQC-DVOMOZLQSA-N -1 0 344.238 3.857 20 0 EHADRM COc1cccc(CC(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)c1 ZINC000237352177 960914560 /nfs/dbraw/zinc/91/45/60/960914560.db2.gz UWAVGSGKXAFKJJ-UHFFFAOYSA-N -1 0 341.388 3.789 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N[C@@H](C)Cc1cccs1)C(=O)[O-] ZINC000237384505 960921517 /nfs/dbraw/zinc/92/15/17/960921517.db2.gz LXALWQZHOQISIV-NWDGAFQWSA-N -1 0 349.477 3.674 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2csc(C(C)C)n2)cc1 ZINC001319221517 960926924 /nfs/dbraw/zinc/92/69/24/960926924.db2.gz QMCUIHXKFPGAIW-ZDUSSCGKSA-N -1 0 332.425 3.521 20 0 EHADRM C[C@H](CC(=O)N[C@H]1CCC[C@@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000237406005 960926971 /nfs/dbraw/zinc/92/69/71/960926971.db2.gz WNXQOJVTUWVWPF-SWHYSGLUSA-N -1 0 343.345 3.569 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)c1cc2ccccc2[nH]1)C(=O)[O-] ZINC000237409789 960929369 /nfs/dbraw/zinc/92/93/69/960929369.db2.gz IMQSFWFSFGIKKV-CQSZACIVSA-N -1 0 336.391 3.531 20 0 EHADRM Cc1cc(NC(=O)c2ccc(C(F)(F)F)c(O)c2)ccc1C(=O)[O-] ZINC001574340957 960933936 /nfs/dbraw/zinc/93/39/36/960933936.db2.gz BCPROSYRHHYMFU-UHFFFAOYSA-N -1 0 339.269 3.670 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)c1sc2cccc(Cl)c2c1Cl ZINC001319265005 960934599 /nfs/dbraw/zinc/93/45/99/960934599.db2.gz OASSGABJXAKKQK-LURJTMIESA-N -1 0 332.208 3.801 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)Nc2cccc(C(=O)[O-])c2)ccc1Cl ZINC000237458027 960939632 /nfs/dbraw/zinc/93/96/32/960939632.db2.gz FWMSBJPQEBPWAF-LLVKDONJSA-N -1 0 333.771 3.753 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1ccc2cc(OC)ccc2c1 ZINC001319853148 960962133 /nfs/dbraw/zinc/96/21/33/960962133.db2.gz NTTKEJOZEOSUDU-UHFFFAOYSA-N -1 0 329.396 3.612 20 0 EHADRM Cc1sc(C(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])cc1-c1ccc(F)cc1 ZINC000237700674 960999305 /nfs/dbraw/zinc/99/93/05/960999305.db2.gz NMXKSEQAFUTRLO-UKRRQHHQSA-N -1 0 347.411 3.846 20 0 EHADRM CC[C@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC[C@@H]1c1ccccc1 ZINC001573829797 961004908 /nfs/dbraw/zinc/00/49/08/961004908.db2.gz GKJWBJBMKNKKHN-OWLYRPNTSA-N -1 0 329.440 3.530 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N[C@H]3CCC[C@H]3C(=O)[O-])c(F)c2)cc1 ZINC000237716138 961006222 /nfs/dbraw/zinc/00/62/22/961006222.db2.gz RXVJIVMWVNXQGI-AEFFLSMTSA-N -1 0 341.382 3.784 20 0 EHADRM Cc1ccc(C(C)C)c(OCCC(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC001574357027 961008119 /nfs/dbraw/zinc/00/81/19/961008119.db2.gz LKXRULMCEJLBEH-UHFFFAOYSA-N -1 0 347.455 3.647 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc3cc(F)ccc3o2)cc1 ZINC001324011649 961023290 /nfs/dbraw/zinc/02/32/90/961023290.db2.gz OAENDCOXIUSECI-OAHLLOKOSA-N -1 0 341.338 3.826 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H](C)c2cccc(C)c2)cc1 ZINC001324012262 961023919 /nfs/dbraw/zinc/02/39/19/961023919.db2.gz UKWUBYDOICXLLN-MAUKXSAKSA-N -1 0 325.408 3.739 20 0 EHADRM Cc1cc2occ(CC(=O)NCCCCCCC(=O)[O-])c2cc1C ZINC000237815435 961029917 /nfs/dbraw/zinc/02/99/17/961029917.db2.gz QXBKFZGTXXGKNS-UHFFFAOYSA-N -1 0 331.412 3.743 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H]1NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000237935059 961044134 /nfs/dbraw/zinc/04/41/34/961044134.db2.gz NWIWROKDZZHPKR-DGCLKSJQSA-N -1 0 333.771 3.583 20 0 EHADRM Cc1nc(NC(=O)[C@@H](C(=O)[O-])C(C)C)sc1Cc1ccc(C)cc1 ZINC001574367242 961047236 /nfs/dbraw/zinc/04/72/36/961047236.db2.gz CJXFFOCUXHNJGY-HNNXBMFYSA-N -1 0 346.452 3.646 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000237950874 961052633 /nfs/dbraw/zinc/05/26/33/961052633.db2.gz QBRBIPWFWNLPEG-NSHDSACASA-N -1 0 344.238 3.639 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC000237982906 961066263 /nfs/dbraw/zinc/06/62/63/961066263.db2.gz ZSGDHRMAUVOXSG-UVBJJODRSA-N -1 0 346.814 3.679 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H](c2ccccc2)c2cccc(F)c2)o1 ZINC000238036985 961084283 /nfs/dbraw/zinc/08/42/83/961084283.db2.gz JKXYJJZSJMYCRQ-QGZVFWFLSA-N -1 0 339.322 3.636 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N2C[C@@H]3CCCC[C@]32c2ccccc2)cc1 ZINC001326426321 961091833 /nfs/dbraw/zinc/09/18/33/961091833.db2.gz MQLAJDJWLPKKNM-UGKGYDQZSA-N -1 0 349.430 3.855 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)cc1 ZINC000238088039 961094999 /nfs/dbraw/zinc/09/49/99/961094999.db2.gz VGQMOEVXDKWOSB-IAGOWNOFSA-N -1 0 343.810 3.501 20 0 EHADRM O=C([O-])c1cccc(C(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)c1 ZINC000238130501 961120072 /nfs/dbraw/zinc/12/00/72/961120072.db2.gz OJPQPTNJBBMRKQ-ZDUSSCGKSA-N -1 0 341.260 3.557 20 0 EHADRM CCCCNc1ccccc1C(=O)NCc1ccccc1C(=O)[O-] ZINC001573849271 961122705 /nfs/dbraw/zinc/12/27/05/961122705.db2.gz WJIOWRBGJBWJRV-UHFFFAOYSA-N -1 0 326.396 3.527 20 0 EHADRM O=C([O-])CCCCCNC(=O)CCc1ccc(-c2ccccc2)o1 ZINC000238141374 961124918 /nfs/dbraw/zinc/12/49/18/961124918.db2.gz AXFYEBNZSFTGKP-UHFFFAOYSA-N -1 0 329.396 3.640 20 0 EHADRM Cc1ccc2ncc(COC(=O)/C=C/c3ccc(C(=O)[O-])o3)cc2c1 ZINC001574385050 961129907 /nfs/dbraw/zinc/12/99/07/961129907.db2.gz WUSNPKFUPIXMMI-QPJJXVBHSA-N -1 0 337.331 3.591 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)NCc2ccccc2C(=O)[O-])c1C ZINC001574389196 961157458 /nfs/dbraw/zinc/15/74/58/961157458.db2.gz MIOMUUDZHBAEBC-AWEZNQCLSA-N -1 0 326.396 3.562 20 0 EHADRM CC(C)(CC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1)C1CCCCC1 ZINC001588755887 961220642 /nfs/dbraw/zinc/22/06/42/961220642.db2.gz CKJPXDPXNIFLPR-UHFFFAOYSA-N -1 0 335.448 3.638 20 0 EHADRM Cc1cccc2cc(C(=O)Nc3ccc(C(=O)[O-])cn3)c(Cl)nc12 ZINC001574402457 961245095 /nfs/dbraw/zinc/24/50/95/961245095.db2.gz KPEAQPYVZDYGNN-UHFFFAOYSA-N -1 0 341.754 3.542 20 0 EHADRM COc1cccc([C@H]2CCCN2C(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC001329287747 961261331 /nfs/dbraw/zinc/26/13/31/961261331.db2.gz KNSCCMXYZIQVOQ-GOSISDBHSA-N -1 0 339.391 3.679 20 0 EHADRM Cc1ccccc1CO[C@@H](C)C(=O)Nc1c(C)cccc1C(=O)[O-] ZINC001574404687 961261637 /nfs/dbraw/zinc/26/16/37/961261637.db2.gz XPJFHVCHMJGBNS-AWEZNQCLSA-N -1 0 327.380 3.545 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)ccc1Br ZINC000252682547 961285363 /nfs/dbraw/zinc/28/53/63/961285363.db2.gz CJDRBZPCYHHULP-IWIIMEHWSA-N -1 0 338.201 3.522 20 0 EHADRM Cc1ccoc1C(=O)Nc1sc2c(c1C(=O)[O-])C[C@@H](C)O[C@@H]2C ZINC001574411426 961296351 /nfs/dbraw/zinc/29/63/51/961296351.db2.gz ZLZWTBBTFIWVON-RKDXNWHRSA-N -1 0 335.381 3.622 20 0 EHADRM Cc1nc2cccc(Cl)c2cc1C(=O)N1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC001574426854 961370727 /nfs/dbraw/zinc/37/07/27/961370727.db2.gz OWRBGJKPEQBQFR-QFYYESIMSA-N -1 0 346.814 3.522 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c2ccccc21 ZINC000261596995 961382782 /nfs/dbraw/zinc/38/27/82/961382782.db2.gz AAGGETOJWXUXAM-DMDPSCGWSA-N -1 0 341.329 3.570 20 0 EHADRM Cc1nccc2c(NC(=O)NCc3cccc(C(=O)[O-])c3)cccc12 ZINC001574429520 961386324 /nfs/dbraw/zinc/38/63/24/961386324.db2.gz SYIOEOIZWHTXPI-UHFFFAOYSA-N -1 0 335.363 3.563 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ccccc1 ZINC000261674512 961387751 /nfs/dbraw/zinc/38/77/51/961387751.db2.gz MBXADKKKSSOLGW-DDBAPUKQSA-N -1 0 329.440 3.578 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000261790167 961392308 /nfs/dbraw/zinc/39/23/08/961392308.db2.gz YTMVHTUMWKTWBR-HPCHECBXSA-N -1 0 347.377 3.599 20 0 EHADRM Cc1oc2ccccc2c1CC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001574443686 961430974 /nfs/dbraw/zinc/43/09/74/961430974.db2.gz CUJWMZSLUXMAPC-AWEZNQCLSA-N -1 0 329.396 3.530 20 0 EHADRM Cc1ccc(CN(C(=O)Cc2cccc(C(=O)[O-])c2)C(C)C)s1 ZINC000262073837 961435015 /nfs/dbraw/zinc/43/50/15/961435015.db2.gz DHYMWMSGTRZQIJ-UHFFFAOYSA-N -1 0 331.437 3.734 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)c1 ZINC000262104604 961461141 /nfs/dbraw/zinc/46/11/41/961461141.db2.gz DVTGEOIMJBQUFS-SJORKVTESA-N -1 0 343.810 3.501 20 0 EHADRM CCC(CC)(CNC(=O)C(C)(C)c1ccccc1Cl)C(=O)[O-] ZINC000262104787 961461416 /nfs/dbraw/zinc/46/14/16/961461416.db2.gz JKXKDFSQNKOSTF-UHFFFAOYSA-N -1 0 325.836 3.625 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N(Cc2ccoc2)C2CCCCC2)c1 ZINC000262120058 961476155 /nfs/dbraw/zinc/47/61/55/961476155.db2.gz GHABIXJROAXDGV-UHFFFAOYSA-N -1 0 341.407 3.882 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC001588807440 961480246 /nfs/dbraw/zinc/48/02/46/961480246.db2.gz DQRIPMGEEAUHCJ-MRCXROJRSA-N -1 0 344.238 3.570 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC001588807433 961481147 /nfs/dbraw/zinc/48/11/47/961481147.db2.gz DQRIPMGEEAUHCJ-BHYNMZESSA-N -1 0 344.238 3.570 20 0 EHADRM CCOCCCC(=O)Nc1sc2c(c1C(=O)[O-])CCC(C)(C)C2 ZINC001573911344 961482924 /nfs/dbraw/zinc/48/29/24/961482924.db2.gz MONSXFDFLVMZLZ-UHFFFAOYSA-N -1 0 339.457 3.716 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1cccc(COc2cccc(F)c2)c1 ZINC001588809810 961517741 /nfs/dbraw/zinc/51/77/41/961517741.db2.gz XSTBGZUNMSSFPR-QGZVFWFLSA-N -1 0 345.370 3.700 20 0 EHADRM Cc1cc(C)cc(C2(C(=O)N3Cc4ccccc4[C@@H](C(=O)[O-])C3)CC2)c1 ZINC000262199973 961546234 /nfs/dbraw/zinc/54/62/34/961546234.db2.gz OKPRIMABNRRFPZ-IBGZPJMESA-N -1 0 349.430 3.546 20 0 EHADRM Cc1cc(C)cc(C2(C(=O)N3Cc4ccccc4[C@H](C(=O)[O-])C3)CC2)c1 ZINC000262199974 961546489 /nfs/dbraw/zinc/54/64/89/961546489.db2.gz OKPRIMABNRRFPZ-LJQANCHMSA-N -1 0 349.430 3.546 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000262233186 961576834 /nfs/dbraw/zinc/57/68/34/961576834.db2.gz YUGVQWMHZZNDQS-ILXRZTDVSA-N -1 0 347.411 3.631 20 0 EHADRM CC(C)[C@@H](CNC(=O)C(F)(F)c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001588816642 961589054 /nfs/dbraw/zinc/58/90/54/961589054.db2.gz JRLVFHRMESGGDR-CQSZACIVSA-N -1 0 341.398 3.549 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000262267989 961606080 /nfs/dbraw/zinc/60/60/80/961606080.db2.gz XOKVVSKRQXDPNG-SFHVURJKSA-N -1 0 343.810 3.848 20 0 EHADRM CC(C)[C@H](CNC(=O)N[C@H](CC1CCC1)c1ccccc1)C(=O)[O-] ZINC001588822978 961641379 /nfs/dbraw/zinc/64/13/79/961641379.db2.gz HGLIACCGUQPKSP-DLBZAZTESA-N -1 0 332.444 3.574 20 0 EHADRM COc1ccc([C@@H]2CCCN2C(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000262374840 961678425 /nfs/dbraw/zinc/67/84/25/961678425.db2.gz KNBGMGFSRWOJNX-KRWDZBQOSA-N -1 0 343.354 3.510 20 0 EHADRM CCc1oc2ccccc2c1CC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001573970734 961723578 /nfs/dbraw/zinc/72/35/78/961723578.db2.gz VUJSYPWPUDOESN-UHFFFAOYSA-N -1 0 337.375 3.552 20 0 EHADRM CC(C)[C@H](NC(=O)c1cc(C(=O)[O-])n[nH]1)c1ccc(C(C)(C)C)cc1 ZINC001588834600 961750676 /nfs/dbraw/zinc/75/06/76/961750676.db2.gz LLGKOHHJEORGSP-INIZCTEOSA-N -1 0 343.427 3.533 20 0 EHADRM Cc1oc(CN(C)C(=O)c2oc3c(cccc3C)c2C)cc1C(=O)[O-] ZINC000262518817 961759763 /nfs/dbraw/zinc/75/97/63/961759763.db2.gz QHBBBFLQXWFGDP-UHFFFAOYSA-N -1 0 341.363 3.921 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2CCC[C@H]2c2ccccc2Cl)CC1 ZINC000262698413 961812943 /nfs/dbraw/zinc/81/29/43/961812943.db2.gz HANMOUHZBCITOV-XEZPLFJOSA-N -1 0 335.831 3.895 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC000262717517 961823187 /nfs/dbraw/zinc/82/31/87/961823187.db2.gz OBCZULOJQNIZBL-BZSNNMDCSA-N -1 0 329.440 3.940 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)NCCCCCCC(=O)[O-] ZINC000262742508 961841988 /nfs/dbraw/zinc/84/19/88/961841988.db2.gz ADBAEMYIYTVWAH-CYBMUJFWSA-N -1 0 325.836 3.670 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000262759341 961853077 /nfs/dbraw/zinc/85/30/77/961853077.db2.gz KIVUSKFGOARZIK-CXAGYDPISA-N -1 0 345.826 3.503 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)CCc1ccccc1C(=O)[O-])[C@H](C)C2 ZINC000262760356 961853288 /nfs/dbraw/zinc/85/32/88/961853288.db2.gz KHVKRSJRIYTTRI-VLIAUNLRSA-N -1 0 337.419 3.676 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)CCC2CCCCC2)C[C@H]1c1ccccc1 ZINC000262767165 961855811 /nfs/dbraw/zinc/85/58/11/961855811.db2.gz AAVSSHNWPBOZIE-ZWKOTPCHSA-N -1 0 329.440 3.674 20 0 EHADRM Cc1cc2scc(CC(=O)N(C)C(C)(C)CC(=O)[O-])c2s1 ZINC001334995688 961873232 /nfs/dbraw/zinc/87/32/32/961873232.db2.gz DBIPGIKYGFASRA-UHFFFAOYSA-N -1 0 325.455 3.525 20 0 EHADRM CC(C)C[C@@H](CNC(=O)C(C)(C)c1cccc(Cl)c1F)C(=O)[O-] ZINC001588847145 961893118 /nfs/dbraw/zinc/89/31/18/961893118.db2.gz DVUCNUZLBZPDEL-NSHDSACASA-N -1 0 343.826 3.620 20 0 EHADRM CC(C)C[C@H](CNC(=O)NCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001588852095 961938115 /nfs/dbraw/zinc/93/81/15/961938115.db2.gz MUJOCFVBAAHOSE-LLVKDONJSA-N -1 0 347.242 3.540 20 0 EHADRM COc1cc(NC(=O)[C@@H](C)Cc2ccc(C)cc2)ccc1C(=O)[O-] ZINC000262872197 961942949 /nfs/dbraw/zinc/94/29/49/961942949.db2.gz GDWQVZKRXUNXGP-ZDUSSCGKSA-N -1 0 327.380 3.519 20 0 EHADRM CC(C)C[C@@H](CNC(=O)NC1(C(C)(C)c2ccccc2)CC1)C(=O)[O-] ZINC001588852865 961950072 /nfs/dbraw/zinc/95/00/72/961950072.db2.gz RBCOBWQLMSOZAM-HNNXBMFYSA-N -1 0 346.471 3.543 20 0 EHADRM CN(Cc1ccc2cc[nH]c2c1)C(=O)C1(C(=O)[O-])CCCCCC1 ZINC001574020255 961961182 /nfs/dbraw/zinc/96/11/82/961961182.db2.gz YEMJKQXFSODJRZ-UHFFFAOYSA-N -1 0 328.412 3.552 20 0 EHADRM CCC(CC)(C(=O)NCc1cc(C(=O)[O-])c(C)o1)c1ccccc1 ZINC000262916562 961999318 /nfs/dbraw/zinc/99/93/18/961999318.db2.gz DILWYSBGTSWMIP-UHFFFAOYSA-N -1 0 329.396 3.660 20 0 EHADRM CC(C)c1ccc([C@H](NC(=O)N2CC[C@H](C(=O)[O-])C2)C(C)C)cc1 ZINC000262945320 962031539 /nfs/dbraw/zinc/03/15/39/962031539.db2.gz HRWWHOQSNAAWPM-DLBZAZTESA-N -1 0 332.444 3.623 20 0 EHADRM Cc1cc(F)ccc1[C@H]1CCCN1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000262952668 962037796 /nfs/dbraw/zinc/03/77/96/962037796.db2.gz AYGUDRSHTHHHMB-PUJMQQBBSA-N -1 0 348.418 3.624 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)NCC[C@@H]2CC[C@@H]3C[C@@H]32)c1Cl ZINC001574567741 962047652 /nfs/dbraw/zinc/04/76/52/962047652.db2.gz NIQWWLAGAWUQQU-IVZWLZJFSA-N -1 0 340.782 3.735 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C2CCC(c3ccccc3)CC2)C1 ZINC000262975320 962063343 /nfs/dbraw/zinc/06/33/43/962063343.db2.gz KHZGLRRZIMODOA-LBXVMSDZSA-N -1 0 329.440 3.674 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1C ZINC001339717026 962067795 /nfs/dbraw/zinc/06/77/95/962067795.db2.gz YIGYLIMYXWTTLN-JKSUJKDBSA-N -1 0 332.444 3.651 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)c1cccc2ccccc21 ZINC000262979128 962068905 /nfs/dbraw/zinc/06/89/05/962068905.db2.gz JGUSINYJFTYLPA-RMJJICAUSA-N -1 0 337.419 3.908 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2CC[C@@H](CSc3ccccc3)C2)CC1 ZINC000262984592 962075624 /nfs/dbraw/zinc/07/56/24/962075624.db2.gz UPVAPVDTEYMRSO-BZUAXINKSA-N -1 0 347.480 3.518 20 0 EHADRM CCSc1cccc(F)c1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000262993230 962084199 /nfs/dbraw/zinc/08/41/99/962084199.db2.gz DVHQILKTMDQBFP-UHFFFAOYSA-N -1 0 340.420 3.703 20 0 EHADRM O=C([O-])C1CCC(NC(=O)Nc2ccc3ccnc(Cl)c3c2)CC1 ZINC001574601408 962165368 /nfs/dbraw/zinc/16/53/68/962165368.db2.gz GFIZWHYAZAVSLY-UHFFFAOYSA-N -1 0 347.802 3.653 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2F)cc1 ZINC001574601335 962165567 /nfs/dbraw/zinc/16/55/67/962165567.db2.gz DNDPXZCLKPOWMU-UONOGXRCSA-N -1 0 329.327 3.667 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccc3nc(C(F)F)sc3c2)C1 ZINC001574602176 962168371 /nfs/dbraw/zinc/16/83/71/962168371.db2.gz VXXYAIZBCMWPRY-JGVFFNPUSA-N -1 0 340.351 3.673 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)NC1(c2cccc(Cl)c2)CCC1 ZINC001574607887 962180604 /nfs/dbraw/zinc/18/06/04/962180604.db2.gz UZCGBEYTJLSLNH-UHFFFAOYSA-N -1 0 345.786 3.634 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)cc1 ZINC000263051852 962184649 /nfs/dbraw/zinc/18/46/49/962184649.db2.gz DZYTWUAAVJZRKV-DRZCJDIDSA-N -1 0 345.345 3.895 20 0 EHADRM C[C@@H](NC(=O)Cc1ccc(C2CCC2)cc1)c1ncc(C(=O)[O-])s1 ZINC001344537133 962192385 /nfs/dbraw/zinc/19/23/85/962192385.db2.gz XWKFGBBVDAHLMP-LLVKDONJSA-N -1 0 344.436 3.529 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1C[C@@H](c2ccccc2)C[C@H]1C)CC(=O)[O-] ZINC001588890413 962201197 /nfs/dbraw/zinc/20/11/97/962201197.db2.gz GCXZNROAWZRKNF-RYRKJORJSA-N -1 0 346.471 3.711 20 0 EHADRM CC(C)C[C@H](CNC(=O)NCC[C@@H]1CCCC[C@H]1C)CC(=O)[O-] ZINC001588892636 962209356 /nfs/dbraw/zinc/20/93/56/962209356.db2.gz UYJGOELGBNPZHT-PMPSAXMXSA-N -1 0 326.481 3.639 20 0 EHADRM C[C@@H]1CC/C(=C\C(=O)N2CCCC[C@H]2c2ccc(C(=O)[O-])n2C)C1 ZINC001344592535 962214536 /nfs/dbraw/zinc/21/45/36/962214536.db2.gz ODPOXSAPBHNTBY-WMGVVHKYSA-N -1 0 330.428 3.523 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)CC(c1ccccc1)c1ccccc1 ZINC000263079544 962223087 /nfs/dbraw/zinc/22/30/87/962223087.db2.gz PQWNIQJMBLADQM-QAPCUYQASA-N -1 0 337.419 3.530 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)Cc2ccc3c(c2)CCCC3)cc1 ZINC000263328349 1125481483 /nfs/dbraw/zinc/48/14/83/1125481483.db2.gz PIHVVZLFSRAXHX-CQSZACIVSA-N -1 0 337.419 3.935 20 0 EHADRM CS[C@H](C)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000263082707 962228162 /nfs/dbraw/zinc/22/81/62/962228162.db2.gz HCNIJWSDECEDCL-DOMZBBRYSA-N -1 0 337.485 3.758 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@H](c2ccccc2)C2CC2)C[C@@H]1c1ccccc1 ZINC000263107311 962258387 /nfs/dbraw/zinc/25/83/87/962258387.db2.gz FVIIGRFLPJCGKS-VAMGGRTRSA-N -1 0 349.430 3.507 20 0 EHADRM O=C([O-])C1(C(=O)N2CCCc3c(F)ccc(F)c32)CCCCCC1 ZINC001574624694 962263626 /nfs/dbraw/zinc/26/36/26/962263626.db2.gz CMKQIAILMVELJL-UHFFFAOYSA-N -1 0 337.366 3.669 20 0 EHADRM CC(C)Cc1ccc(CCCC(=O)NC[C@H](C(=O)[O-])C(C)C)cc1 ZINC001588905954 962270638 /nfs/dbraw/zinc/27/06/38/962270638.db2.gz BOTUVQJFTIJQIL-SFHVURJKSA-N -1 0 333.472 3.681 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000263126917 962280877 /nfs/dbraw/zinc/28/08/77/962280877.db2.gz YNRIQOTYNNFUFR-QGZVFWFLSA-N -1 0 335.400 3.676 20 0 EHADRM COCc1cc(NC(=O)[C@@H]2C[C@@H]2c2sccc2C)cc(C(=O)[O-])c1 ZINC000263129097 962282154 /nfs/dbraw/zinc/28/21/54/962282154.db2.gz SRXVXLKUDFTBTK-LSDHHAIUSA-N -1 0 345.420 3.643 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])cc1 ZINC000263141339 962295577 /nfs/dbraw/zinc/29/55/77/962295577.db2.gz YJYBFLPEDFVUFK-XGACYXMMSA-N -1 0 343.345 3.735 20 0 EHADRM O=C([O-])C1(C(=O)NCCc2ccc(C3CCCCC3)cc2)CCC1 ZINC001574630274 962296942 /nfs/dbraw/zinc/29/69/42/962296942.db2.gz PHMLVDXHMHEGBQ-UHFFFAOYSA-N -1 0 329.440 3.648 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)CCC2CCCC2)C[C@H]1c1ccc(Cl)cc1 ZINC000263149161 962301964 /nfs/dbraw/zinc/30/19/64/962301964.db2.gz WSFOHFPFXDNTFH-DLBZAZTESA-N -1 0 349.858 3.937 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)CCCOc2ccccc2F)cc1 ZINC000263191809 962347987 /nfs/dbraw/zinc/34/79/87/962347987.db2.gz IQHYKCOPDVRLRH-ZDUSSCGKSA-N -1 0 345.370 3.812 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCC2(Sc3ccccc3)CCCC2)C1 ZINC000263206320 962362511 /nfs/dbraw/zinc/36/25/11/962362511.db2.gz KSOQCJNUMJNBLX-LSDHHAIUSA-N -1 0 347.480 3.709 20 0 EHADRM CCCC[C@@H](CC)C(=O)N[C@@](C)(CC(=O)[O-])c1cccc(OC)c1 ZINC000263274645 962412006 /nfs/dbraw/zinc/41/20/06/962412006.db2.gz XWOXNKFNSUWFCP-KUHUBIRLSA-N -1 0 335.444 3.718 20 0 EHADRM O=C([O-])C1CCN(C(=O)N[C@@H](CC2CCCC2)c2ccccc2)CC1 ZINC000263278534 962417816 /nfs/dbraw/zinc/41/78/16/962417816.db2.gz SQCNRFVQPGIFCU-SFHVURJKSA-N -1 0 344.455 3.814 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)C[C@@H]2OCCc3ccccc32)cc1 ZINC000263295173 962436675 /nfs/dbraw/zinc/43/66/75/962436675.db2.gz MWQVVTXDXSBSSR-ACJLOTCBSA-N -1 0 339.391 3.517 20 0 EHADRM O=C([O-])[C@@H]1CCN(CCCCF)c2ccc(Br)cc21 ZINC001574655863 962455754 /nfs/dbraw/zinc/45/57/54/962455754.db2.gz HNOKQUYGHIQYCQ-LLVKDONJSA-N -1 0 330.197 3.577 20 0 EHADRM COc1cccc([C@@H]2CCCN2C(=O)c2cc(C)cc(C(=O)[O-])c2)c1 ZINC000263334395 962481236 /nfs/dbraw/zinc/48/12/36/962481236.db2.gz QPEMEZLFFUKTML-SFHVURJKSA-N -1 0 339.391 3.679 20 0 EHADRM O=C([O-])[C@@H]1CN(Cc2cnc3c(F)cccc3c2)Cc2ccccc21 ZINC001574660785 962486258 /nfs/dbraw/zinc/48/62/58/962486258.db2.gz ATSBBQXSVXYLPM-QGZVFWFLSA-N -1 0 336.366 3.558 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)C1 ZINC000263341591 962493174 /nfs/dbraw/zinc/49/31/74/962493174.db2.gz SBOZBKKOAOOVIX-SFHVURJKSA-N -1 0 347.411 3.881 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)NCc2ccc(C3CCC3)cc2)co1 ZINC001574665734 962506334 /nfs/dbraw/zinc/50/63/34/962506334.db2.gz LMJZPQWKJGDFKQ-CMDGGOBGSA-N -1 0 325.364 3.575 20 0 EHADRM CC(C)(C)n1cc(C(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)cn1 ZINC000263393178 962553553 /nfs/dbraw/zinc/55/35/53/962553553.db2.gz GVEVYPQYMAPYBE-INIZCTEOSA-N -1 0 349.475 3.572 20 0 EHADRM Cc1sc(C(=O)N2CCC[C@@]2(C)C(=O)[O-])cc1-c1ccc(F)cc1 ZINC000263411468 962577703 /nfs/dbraw/zinc/57/77/03/962577703.db2.gz HARCKGMWLPYBTF-SFHVURJKSA-N -1 0 347.411 3.942 20 0 EHADRM CCN(Cc1cccc(Cl)c1)C(=O)c1c(C)coc1CC(=O)[O-] ZINC000263411855 962579018 /nfs/dbraw/zinc/57/90/18/962579018.db2.gz JCDNJKXEUTUPNT-UHFFFAOYSA-N -1 0 335.787 3.531 20 0 EHADRM Cc1c(C(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)cnn1C(C)C ZINC000263421033 962592285 /nfs/dbraw/zinc/59/22/85/962592285.db2.gz PLLUBPXLIKAAGD-INIZCTEOSA-N -1 0 349.475 3.706 20 0 EHADRM CC(C)[C@H](NC(=O)Nc1ccccc1SC(F)(F)F)C(=O)[O-] ZINC001588957761 962602545 /nfs/dbraw/zinc/60/25/45/962602545.db2.gz UOTFSEILFNDARL-JTQLQIEISA-N -1 0 336.335 3.529 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000263446399 962630889 /nfs/dbraw/zinc/63/08/89/962630889.db2.gz QZRZHZAPUVTVCW-PGBBXINNSA-N -1 0 345.439 3.550 20 0 EHADRM CCc1ccc([C@H]2CCCCCN2C(=O)c2cc(C(=O)[O-])ccn2)o1 ZINC000263448978 962633998 /nfs/dbraw/zinc/63/39/98/962633998.db2.gz ZPYWVLCAVDQVQT-MRXNPFEDSA-N -1 0 342.395 3.693 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)Nc2ccccc2OCC2CC2)C1 ZINC001574691803 962637738 /nfs/dbraw/zinc/63/77/38/962637738.db2.gz HSWUESYAWRUICU-AWEZNQCLSA-N -1 0 346.427 3.584 20 0 EHADRM CC(C)c1ccc(CCNC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC001588966971 962651721 /nfs/dbraw/zinc/65/17/21/962651721.db2.gz QIRYZUBVJYGAEZ-QGZVFWFLSA-N -1 0 346.471 3.639 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263472788 962659720 /nfs/dbraw/zinc/65/97/20/962659720.db2.gz LURMOJROCNQSMO-AWYCJPSDSA-N -1 0 344.455 3.606 20 0 EHADRM C[C@H](NCc1ccc(/C=C/C(=O)[O-])o1)c1nc(C(C)(C)C)cs1 ZINC001353921641 962678583 /nfs/dbraw/zinc/67/85/83/962678583.db2.gz JUKOMFSJIITHPD-AEZGRPFRSA-N -1 0 334.441 3.982 20 0 EHADRM Cc1ccc(C)c(NC(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000263506418 962689786 /nfs/dbraw/zinc/68/97/86/962689786.db2.gz VVLINHIEQICMDP-QGZVFWFLSA-N -1 0 340.423 3.901 20 0 EHADRM CC(C)(C(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)C1CCCCC1 ZINC001354050498 962701758 /nfs/dbraw/zinc/70/17/58/962701758.db2.gz ICLOVQYJRUZFFJ-YPMHNXCESA-N -1 0 349.393 3.705 20 0 EHADRM CC(C)n1ncc2cc(CNc3cccc(CCC(=O)[O-])c3)cnc21 ZINC000263523180 962704219 /nfs/dbraw/zinc/70/42/19/962704219.db2.gz RYYQQBPMXNNGPL-UHFFFAOYSA-N -1 0 338.411 3.642 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@H]2Cc3ccc(Cl)cc32)c1 ZINC001574710579 962708797 /nfs/dbraw/zinc/70/87/97/962708797.db2.gz XOHHDYLWODSWLZ-INIZCTEOSA-N -1 0 329.783 3.636 20 0 EHADRM Cc1cccc(Oc2ccccc2C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC000263549297 962723281 /nfs/dbraw/zinc/72/32/81/962723281.db2.gz VPFFYDHMNMPKLW-HXUWFJFHSA-N -1 0 339.391 3.724 20 0 EHADRM COc1cc(C)c(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1OC ZINC000263555299 962726333 /nfs/dbraw/zinc/72/63/33/962726333.db2.gz YMUPGJMUCJRBGO-UHFFFAOYSA-N -1 0 343.379 3.580 20 0 EHADRM CCCc1occc1C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000263557578 962728698 /nfs/dbraw/zinc/72/86/98/962728698.db2.gz ZOMXJZMTWZQBSK-UHFFFAOYSA-N -1 0 337.759 3.601 20 0 EHADRM CC(C)(NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1cccc(Cl)c1F ZINC000263578426 962745171 /nfs/dbraw/zinc/74/51/71/962745171.db2.gz SQILPXPDNSOWAU-GHMZBOCLSA-N -1 0 341.810 3.721 20 0 EHADRM CC(C)[C@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000263583111 962747125 /nfs/dbraw/zinc/74/71/25/962747125.db2.gz ZLWKUVBRGSZIQX-MJBXVCDLSA-N -1 0 343.345 3.630 20 0 EHADRM COc1ccc(/C(C)=C/C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC001574201840 962889647 /nfs/dbraw/zinc/88/96/47/962889647.db2.gz GXIMIGTWOGSUIA-PKNBQFBNSA-N -1 0 329.327 3.575 20 0 EHADRM Cn1c(C(=O)[O-])ccc1[C@H]1CCCCN1C(=O)C=C(C1CC1)C1CC1 ZINC001526766684 962909198 /nfs/dbraw/zinc/90/91/98/962909198.db2.gz SHXUWUQRQVTMOK-QGZVFWFLSA-N -1 0 342.439 3.523 20 0 EHADRM Cc1nn(C(C)C)cc1C(=O)Nc1ccc(OC(C)C)cc1C(=O)[O-] ZINC001526775551 962911337 /nfs/dbraw/zinc/91/13/37/962911337.db2.gz VALQTYRYVPHOGV-UHFFFAOYSA-N -1 0 345.399 3.510 20 0 EHADRM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000302795857 963104760 /nfs/dbraw/zinc/10/47/60/963104760.db2.gz FDCHQMHXGCBQAP-FHLIZLRMSA-N -1 0 329.440 3.705 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2OCc2ccccc2)[nH]1 ZINC000310777378 963431827 /nfs/dbraw/zinc/43/18/27/963431827.db2.gz AUZISGXOTBKCIB-UHFFFAOYSA-N -1 0 336.347 3.544 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cccn1Cc1ccccc1 ZINC000311068498 963456840 /nfs/dbraw/zinc/45/68/40/963456840.db2.gz RWWPCRCYFHNPLS-UHFFFAOYSA-N -1 0 348.402 3.507 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)N[C@H]2CCCC23CCCCC3)c1 ZINC000313007478 963611897 /nfs/dbraw/zinc/61/18/97/963611897.db2.gz JYUBOAHBKHZDAC-INIZCTEOSA-N -1 0 346.427 3.775 20 0 EHADRM COc1ccc(OC(F)F)c(NCc2cc(C(=O)[O-])cs2)c1 ZINC000316415939 964010192 /nfs/dbraw/zinc/01/01/92/964010192.db2.gz NZTXUBWXGUYTKC-UHFFFAOYSA-N -1 0 329.324 3.668 20 0 EHADRM CCN(C(=O)[C@@H]1CC[C@H]1C(=O)[O-])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000262688703 967826578 /nfs/dbraw/zinc/82/65/78/967826578.db2.gz ZMPBDSVGBKXKKM-ZLKJLUDKSA-N -1 0 343.345 3.726 20 0 EHADRM CC[C@H](C)[C@H](NCc1csc(CCc2ccccc2)n1)C(=O)[O-] ZINC000263052862 967840550 /nfs/dbraw/zinc/84/05/50/967840550.db2.gz DPDNYOLQFGEBRN-GUYCJALGSA-N -1 0 332.469 3.517 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN1C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000263410312 967889151 /nfs/dbraw/zinc/88/91/51/967889151.db2.gz GVXQLUGOWQGDTD-XJKCOSOUSA-N -1 0 342.222 3.563 20 0 EHADRM CCN(C(=O)NCc1ccc(C(=O)[O-])cc1)[C@@H](C)Cc1ccsc1 ZINC000263452670 967893953 /nfs/dbraw/zinc/89/39/53/967893953.db2.gz GQXICWQEKXBWST-ZDUSSCGKSA-N -1 0 346.452 3.609 20 0 EHADRM CCc1ccc2occ(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)c2c1 ZINC000263534475 967899981 /nfs/dbraw/zinc/89/99/81/967899981.db2.gz NXAMCMGLHXHIJK-AWEZNQCLSA-N -1 0 329.396 3.712 20 0 EHADRM O=C([O-])c1cccnc1NC(=O)CCSc1ccc(Cl)cc1 ZINC000316343466 967978511 /nfs/dbraw/zinc/97/85/11/967978511.db2.gz QDZOEMAVNNNWEM-UHFFFAOYSA-N -1 0 336.800 3.554 20 0 EHADRM CC(C)C[C@H](CNC(=O)Cc1cccc2ccccc21)CC(=O)[O-] ZINC000325143648 968036621 /nfs/dbraw/zinc/03/66/21/968036621.db2.gz DOGOLUATERHWFI-HNNXBMFYSA-N -1 0 327.424 3.636 20 0 EHADRM CCc1ccc(CN(C(=O)NCCCCCC(=O)[O-])C2CC2)cc1 ZINC000414632138 968340306 /nfs/dbraw/zinc/34/03/06/968340306.db2.gz XNNNYCFEYWFAEO-UHFFFAOYSA-N -1 0 332.444 3.568 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCc1ccc(-c2ccccc2)o1 ZINC000422580330 968348142 /nfs/dbraw/zinc/34/81/42/968348142.db2.gz KLDDLIPCPLXWMR-ZBFHGGJFSA-N -1 0 341.407 3.591 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000424260531 968354876 /nfs/dbraw/zinc/35/48/76/968354876.db2.gz YUMCGIMPPMBMDE-SJORKVTESA-N -1 0 331.456 3.667 20 0 EHADRM CC(C)(CCNC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC000424402256 968362597 /nfs/dbraw/zinc/36/25/97/968362597.db2.gz GFHHSMNWAYBJBD-QGZVFWFLSA-N -1 0 344.455 3.739 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000532874993 968400626 /nfs/dbraw/zinc/40/06/26/968400626.db2.gz AAKUDEVOJBHVCV-CVEARBPZSA-N -1 0 347.455 3.599 20 0 EHADRM C[C@@H]1CCN(C(=O)C2(c3cccs3)CCCCC2)C[C@H]1C(=O)[O-] ZINC000573921448 968455700 /nfs/dbraw/zinc/45/57/00/968455700.db2.gz YLHDJDSRQVKOJX-ZIAGYGMSSA-N -1 0 335.469 3.519 20 0 EHADRM CC(C)[C@@H](SCc1ccccc1)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000610892154 968508056 /nfs/dbraw/zinc/50/80/56/968508056.db2.gz YCKRJXXRZOVWGJ-FUHWJXTLSA-N -1 0 349.496 3.658 20 0 EHADRM Cc1ccc(-c2ncc(C(=O)N3CCC[C@@]3(C)C(=O)[O-])s2)c(C)c1 ZINC000648337278 968584710 /nfs/dbraw/zinc/58/47/10/968584710.db2.gz WQKBATHLBKEPFY-SFHVURJKSA-N -1 0 344.436 3.506 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@@]3(C(=O)[O-])CC=CCC3)c2)oc1C ZINC000653281365 968637463 /nfs/dbraw/zinc/63/74/63/968637463.db2.gz FQOXAKWSEOWDQK-LJQANCHMSA-N -1 0 340.379 3.708 20 0 EHADRM CSc1ccsc1C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000653334855 968665840 /nfs/dbraw/zinc/66/58/40/968665840.db2.gz INSSHNWPWUNABT-NWDGAFQWSA-N -1 0 333.434 3.513 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)C(=O)c1cc(-c2ccc(OC)cc2)c(C)s1 ZINC000653338826 968667626 /nfs/dbraw/zinc/66/76/26/968667626.db2.gz NBNXMYYDRUKMEI-OAHLLOKOSA-N -1 0 347.436 3.667 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000653536679 968672312 /nfs/dbraw/zinc/67/23/12/968672312.db2.gz DPLZJYJLHNVPJI-JTQLQIEISA-N -1 0 330.837 3.540 20 0 EHADRM CC(C)[C@@H](CNC(=O)Nc1ccccc1N(C)C1CCCC1)C(=O)[O-] ZINC000653540670 968673430 /nfs/dbraw/zinc/67/34/30/968673430.db2.gz PNDKLGVAIPQUMQ-OAHLLOKOSA-N -1 0 347.459 3.544 20 0 EHADRM CC1CC(C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)(c2cccc(Cl)c2)C1 ZINC000851606615 969273711 /nfs/dbraw/zinc/27/37/11/969273711.db2.gz VFSMHLICFALLBJ-VASJYLSYSA-N -1 0 349.858 3.577 20 0 EHADRM C[C@@]1(Cc2ccccc2)CCCN1C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000864144530 969323145 /nfs/dbraw/zinc/32/31/45/969323145.db2.gz YKMZQYQPCRIMIU-BQYDLMEBSA-N -1 0 339.391 3.615 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000872718512 969351568 /nfs/dbraw/zinc/35/15/68/969351568.db2.gz VDFUHKQKBWHYRY-GOSISDBHSA-N -1 0 331.456 3.667 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2ccc([C@@H](F)C(F)(F)F)cc2)CCC1 ZINC000887394307 969411731 /nfs/dbraw/zinc/41/17/31/969411731.db2.gz MTQLBAJLHTWNHW-LLVKDONJSA-N -1 0 348.296 3.636 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc(C(F)(F)F)ccc2Cl)C1 ZINC000901656176 969457314 /nfs/dbraw/zinc/45/73/14/969457314.db2.gz OKQJNOAEXNCHSD-BDAKNGLRSA-N -1 0 349.736 3.542 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cc(C(F)(F)F)ccc2Cl)C1 ZINC000901656811 969457336 /nfs/dbraw/zinc/45/73/36/969457336.db2.gz OKQJNOAEXNCHSD-RKDXNWHRSA-N -1 0 349.736 3.542 20 0 EHADRM CC[C@H]1c2ccsc2CCN1C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC000901858449 969483957 /nfs/dbraw/zinc/48/39/57/969483957.db2.gz OOCRYYHDVVXOEW-XGACYXMMSA-N -1 0 331.393 3.589 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)NCCC(C)(C)C(=O)[O-])c1 ZINC000909755052 969628874 /nfs/dbraw/zinc/62/88/74/969628874.db2.gz BMIZAAHEXZMDRM-CQSZACIVSA-N -1 0 335.444 3.586 20 0 EHADRM CCN(C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21)C1CC(C)(C)C1 ZINC001121924837 969684187 /nfs/dbraw/zinc/68/41/87/969684187.db2.gz CLZIGDITYUMIDP-HOTGVXAUSA-N -1 0 330.428 3.520 20 0 EHADRM Cc1cc(C)c2cc(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)sc2n1 ZINC001526721689 969792227 /nfs/dbraw/zinc/79/22/27/969792227.db2.gz OCFBVUXARTYHTL-CYBMUJFWSA-N -1 0 346.452 3.630 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)c1cc(Cl)nc(Cl)c1 ZINC000319377475 970530405 /nfs/dbraw/zinc/53/04/05/970530405.db2.gz RBXUPONRNXVJRU-NSHDSACASA-N -1 0 345.226 3.542 20 0 EHADRM O=C([O-])c1c(NC(=O)c2ccc(Cl)c(F)c2)sc2c1CCC2 ZINC000319557048 970548200 /nfs/dbraw/zinc/54/82/00/970548200.db2.gz SPOAXUMSOVJBTE-UHFFFAOYSA-N -1 0 339.775 3.980 20 0 EHADRM Cc1sc(NC(=O)Cc2ccc3c(c2)CCC3)c(C(=O)[O-])c1C ZINC000320007837 970600973 /nfs/dbraw/zinc/60/09/73/970600973.db2.gz NFECVWVRBFOJED-UHFFFAOYSA-N -1 0 329.421 3.733 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc(OC(F)(F)F)c2)s1 ZINC000320018987 970603272 /nfs/dbraw/zinc/60/32/72/970603272.db2.gz RVGZCCIGNACAMR-UHFFFAOYSA-N -1 0 331.271 3.597 20 0 EHADRM Cc1c(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cccc1C(=O)[O-] ZINC000320087733 970612596 /nfs/dbraw/zinc/61/25/96/970612596.db2.gz CPNSHXNWWLNLCN-NSHDSACASA-N -1 0 333.771 3.753 20 0 EHADRM CCC1CCC(NC(=O)c2cc(F)ccc2Cl)(C(=O)[O-])CC1 ZINC000320278998 970642516 /nfs/dbraw/zinc/64/25/16/970642516.db2.gz ZIUMAHNURQXATI-UHFFFAOYSA-N -1 0 327.783 3.633 20 0 EHADRM Cc1c(NC(=O)CSc2ccc(F)c(F)c2)cccc1C(=O)[O-] ZINC000320300326 970645483 /nfs/dbraw/zinc/64/54/83/970645483.db2.gz RXCOEFNCDOQXSK-UHFFFAOYSA-N -1 0 337.347 3.702 20 0 EHADRM CCC1CCC(NC(=O)c2cc3c(s2)CCCC3)(C(=O)[O-])CC1 ZINC000320379425 970656181 /nfs/dbraw/zinc/65/61/81/970656181.db2.gz VIEZRXHUQKCWFQ-UHFFFAOYSA-N -1 0 335.469 3.780 20 0 EHADRM CCC1CCC(NC(=O)c2ccc(Cl)cc2OC)(C(=O)[O-])CC1 ZINC000320607133 970685111 /nfs/dbraw/zinc/68/51/11/970685111.db2.gz ZJVFAQVJHNKWLP-UHFFFAOYSA-N -1 0 339.819 3.502 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)Oc1ccccc1Cl ZINC000320644096 970690841 /nfs/dbraw/zinc/69/08/41/970690841.db2.gz IPRCAUJKDOLHJH-LLVKDONJSA-N -1 0 333.771 3.753 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)N[C@H](C(=O)[O-])C3CCCCC3)cc2C1 ZINC000320698960 970700999 /nfs/dbraw/zinc/70/09/99/970700999.db2.gz DEBQRBJFIFHCPC-BZNIZROVSA-N -1 0 335.469 3.636 20 0 EHADRM O=C([O-])c1ccc(F)c(CSc2nnc(C3CC3)n2C2CC2)c1 ZINC000320801029 970717526 /nfs/dbraw/zinc/71/75/26/970717526.db2.gz YKCUQOZHAQPZJU-UHFFFAOYSA-N -1 0 333.388 3.620 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@@H](C)Cc2ccccc2Cl)c1 ZINC001600108165 970760558 /nfs/dbraw/zinc/76/05/58/970760558.db2.gz PENMIYOMUFTPER-LBPRGKRZSA-N -1 0 331.799 3.708 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2csc3c2CCCC3)CCCCC1 ZINC000321330604 970762668 /nfs/dbraw/zinc/76/26/68/970762668.db2.gz PJKBTRDRVBRBCR-UHFFFAOYSA-N -1 0 335.469 3.782 20 0 EHADRM Cc1cccc(C2(C(=O)Nc3ccc(OCC(=O)[O-])cc3)CCC2)c1 ZINC000393075573 972561158 /nfs/dbraw/zinc/56/11/58/972561158.db2.gz CWUDGIDPSZVMPL-UHFFFAOYSA-N -1 0 339.391 3.519 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)CCSc2cccc(Cl)c2)CC1 ZINC001603298415 972575575 /nfs/dbraw/zinc/57/55/75/972575575.db2.gz ZUBNAMOJLBCYFM-UHFFFAOYSA-N -1 0 341.860 3.536 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)Nc2ccc3c(c2)CCC3)c2ccccc21 ZINC001605857219 972606449 /nfs/dbraw/zinc/60/64/49/972606449.db2.gz DPMPHAJUMNZRAH-MSOLQXFVSA-N -1 0 336.391 3.610 20 0 EHADRM CC1(C)C=Cc2cccc(NC(=O)[C@@]3(C(=O)[O-])CC=CCC3)c2O1 ZINC001603314820 972620709 /nfs/dbraw/zinc/62/07/09/972620709.db2.gz RGADCJRETUCWPK-LJQANCHMSA-N -1 0 327.380 3.620 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)Nc1ccn(C2CCCCC2)n1 ZINC001605869021 972633701 /nfs/dbraw/zinc/63/37/01/972633701.db2.gz SYMGZMIBWKHOGQ-UHFFFAOYSA-N -1 0 328.372 3.731 20 0 EHADRM C[C@@]1(CCc2ccccc2)CCN(C(=O)[C@]2(C(=O)[O-])CC=CCC2)C1 ZINC001603339435 972720256 /nfs/dbraw/zinc/72/02/56/972720256.db2.gz CRUIYFLXUBADCP-RTWAWAEBSA-N -1 0 341.451 3.669 20 0 EHADRM O=C([O-])C1(C(=O)N2CCC(Cc3ccccc3F)CC2)CCCCC1 ZINC001605909307 972760435 /nfs/dbraw/zinc/76/04/35/972760435.db2.gz RVSZFTPCLWQMPJ-UHFFFAOYSA-N -1 0 347.430 3.642 20 0 EHADRM Cc1cc(C(=O)Nc2sccc2C(=O)[O-])c2c(n1)onc2C(C)C ZINC001605131142 972789347 /nfs/dbraw/zinc/78/93/47/972789347.db2.gz DUVRPCXDNSFRKM-UHFFFAOYSA-N -1 0 345.380 3.667 20 0 EHADRM Cc1cc(C)c(/C=C\C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc1C ZINC001605146469 972831316 /nfs/dbraw/zinc/83/13/16/972831316.db2.gz NIVATNPEOHYPCE-XPTLAUCJSA-N -1 0 337.419 3.741 20 0 EHADRM O=C([O-])[C@@]1(C(=O)NCCCCCCc2ccccc2)CC=CCC1 ZINC001605925547 972839319 /nfs/dbraw/zinc/83/93/19/972839319.db2.gz PSEYDIXSQMCSAM-FQEVSTJZSA-N -1 0 329.440 3.717 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N[C@H]2CCc3ccccc3C2)cc1 ZINC000396356184 972863594 /nfs/dbraw/zinc/86/35/94/972863594.db2.gz BWFZWBPUXVGWOO-ACJLOTCBSA-N -1 0 338.407 3.554 20 0 EHADRM Cc1cnc([C@H](C)NC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)s1 ZINC000396438024 972887591 /nfs/dbraw/zinc/88/75/91/972887591.db2.gz MGXZJZQXQHGJRK-MNOVXSKESA-N -1 0 333.413 3.522 20 0 EHADRM COc1ccc(Cl)cc1CC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000396598505 972920544 /nfs/dbraw/zinc/92/05/44/972920544.db2.gz CIPVVFWGZNVLFA-NSHDSACASA-N -1 0 347.798 3.718 20 0 EHADRM COc1cc(Cl)ccc1C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000396609565 972921597 /nfs/dbraw/zinc/92/15/97/972921597.db2.gz GRRIWMSSGQRNOB-SNVBAGLBSA-N -1 0 333.771 3.789 20 0 EHADRM O=C([O-])c1cnc(NCc2csc(Br)c2)c(Cl)c1 ZINC000397280906 972985421 /nfs/dbraw/zinc/98/54/21/972985421.db2.gz SACMOZYMFRYFOD-UHFFFAOYSA-N -1 0 347.621 3.869 20 0 EHADRM Cc1ccc(-c2[nH]nc(NC(=O)Nc3cccc(C(=O)[O-])c3)c2C)o1 ZINC001605238092 972995953 /nfs/dbraw/zinc/99/59/53/972995953.db2.gz ZBKNPZKSJLNSPT-UHFFFAOYSA-N -1 0 340.339 3.629 20 0 EHADRM Cc1ccc(C(C)(C)CNC(=O)[C@@H](C(=O)[O-])C2CCCC2)c(C)c1 ZINC001605256321 973025481 /nfs/dbraw/zinc/02/54/81/973025481.db2.gz RYUCWEVATXGDIG-KRWDZBQOSA-N -1 0 331.456 3.588 20 0 EHADRM Cc1ccc([C@H]2CCC[C@@H]2OC(=O)c2ccc(C(=O)[O-])cn2)cc1 ZINC001605263087 973040285 /nfs/dbraw/zinc/04/02/85/973040285.db2.gz PRLPYGJDVMIOGX-WBVHZDCISA-N -1 0 325.364 3.581 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1sc2c(c1C(=O)[O-])COCC2 ZINC001603399494 973046650 /nfs/dbraw/zinc/04/66/50/973046650.db2.gz IYRHJQMXDAWBJO-GHMZBOCLSA-N -1 0 337.441 3.674 20 0 EHADRM C[C@H]1CCCN(C(=O)CCc2ccc(F)c3ccccc23)[C@H]1C(=O)[O-] ZINC001603407893 973076202 /nfs/dbraw/zinc/07/62/02/973076202.db2.gz WTENOHIGFDZYFS-ORAYPTAESA-N -1 0 343.398 3.623 20 0 EHADRM COC(=O)c1ccc2c(c1)CCCCN2Cc1ccc(C(=O)[O-])s1 ZINC001604390176 973114690 /nfs/dbraw/zinc/11/46/90/973114690.db2.gz MLMWUCUCYWETDU-UHFFFAOYSA-N -1 0 345.420 3.576 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)[C@@]3(C(=O)[O-])CC3(C)C)cn2)cc1 ZINC001605302718 973117232 /nfs/dbraw/zinc/11/72/32/973117232.db2.gz CNDFNIIGZIKFRJ-LJQANCHMSA-N -1 0 340.379 3.622 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc(COC(C)(C)C)cc2)C[C@H]1C(=O)[O-] ZINC001603422021 973137715 /nfs/dbraw/zinc/13/77/15/973137715.db2.gz RFBIKRPHSVYTQT-CZUORRHYSA-N -1 0 348.443 3.576 20 0 EHADRM Cc1ccc2cc(Cl)cc(C(=O)Nc3ccc(C(=O)[O-])cn3)c2n1 ZINC001605314387 973138353 /nfs/dbraw/zinc/13/83/53/973138353.db2.gz GRSWUJMGZGOWML-UHFFFAOYSA-N -1 0 341.754 3.542 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cncc(C(=O)[O-])c2)CC12CCCCC2 ZINC001603425954 973152398 /nfs/dbraw/zinc/15/23/98/973152398.db2.gz WCCOSBXIRJYSOF-CYBMUJFWSA-N -1 0 331.416 3.604 20 0 EHADRM O=C([O-])[C@H]1CN(Cc2ncc(-c3cccs3)o2)Cc2ccccc21 ZINC001606048762 973157592 /nfs/dbraw/zinc/15/75/92/973157592.db2.gz OQSFYZYXQZJRKZ-AWEZNQCLSA-N -1 0 340.404 3.587 20 0 EHADRM Cc1cccc([C@H](NC(=O)[C@H]2C[C@]23CCCc2ccccc23)C(=O)[O-])c1 ZINC001605328958 973191173 /nfs/dbraw/zinc/19/11/73/973191173.db2.gz RHZUAMJTHNRLPD-DXIQSLLYSA-N -1 0 349.430 3.531 20 0 EHADRM Cc1cccc(COc2cccc(NC(=O)[C@]3(C(=O)[O-])C[C@H]3C)c2)c1 ZINC001605339641 973227814 /nfs/dbraw/zinc/22/78/14/973227814.db2.gz XULSSBPGWFYAND-VLIAUNLRSA-N -1 0 339.391 3.623 20 0 EHADRM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC001605347455 973244586 /nfs/dbraw/zinc/24/45/86/973244586.db2.gz MWWAXAIQLWSMCU-LCGIIJARSA-N -1 0 329.440 3.545 20 0 EHADRM O=C([O-])c1cc(NC(=O)NC[C@@H]2CC3CCC2CC3)ccc1Cl ZINC000400083302 973251770 /nfs/dbraw/zinc/25/17/70/973251770.db2.gz PPJPUHWONSIBMK-MCIGGMRASA-N -1 0 336.819 3.986 20 0 EHADRM Cc1ccccc1C(F)(F)C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001605351037 973254150 /nfs/dbraw/zinc/25/41/50/973254150.db2.gz LJFNUGKGUXKRFF-GDBMZVCRSA-N -1 0 345.345 3.516 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)NC2CCC(C3CCC3)CC2)C1 ZINC001606122983 973362609 /nfs/dbraw/zinc/36/26/09/973362609.db2.gz JCTODIIFHKGOAY-OOHWJJMZSA-N -1 0 336.476 3.632 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)NCc2ccc(C3CCC3)cc2)C1 ZINC001606122933 973362756 /nfs/dbraw/zinc/36/27/56/973362756.db2.gz GDKSRZXYPMPMBI-INIZCTEOSA-N -1 0 344.455 3.741 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-] ZINC000401412689 973363545 /nfs/dbraw/zinc/36/35/45/973363545.db2.gz BIPLXDDCXCIDEZ-GWCFXTLKSA-N -1 0 343.876 3.826 20 0 EHADRM C[C@@H]1CSc2ccccc2N1C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001603476478 973371149 /nfs/dbraw/zinc/37/11/49/973371149.db2.gz WWJCYHDSEIDTSJ-XUIVZRPNSA-N -1 0 329.377 3.518 20 0 EHADRM O=C([O-])CC[C@H]1Cc2ccccc2N(CCOCC2CCCC2)C1 ZINC001606135787 973383726 /nfs/dbraw/zinc/38/37/26/973383726.db2.gz RSIMTMGHQXHDKZ-KRWDZBQOSA-N -1 0 331.456 3.737 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)N[C@@H]2CCSC3(CCC3)C2)c1 ZINC001606210700 973460558 /nfs/dbraw/zinc/46/05/58/973460558.db2.gz VZUWUTVZTCVFEX-OAHLLOKOSA-N -1 0 348.468 3.644 20 0 EHADRM CCC(C)(C)c1ccc(NC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)cc1 ZINC001603508320 973491624 /nfs/dbraw/zinc/49/16/24/973491624.db2.gz MHGBWBNIUJRZKV-CJNGLKHVSA-N -1 0 333.428 3.583 20 0 EHADRM Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1CC(=O)[O-] ZINC001605459956 973551015 /nfs/dbraw/zinc/55/10/15/973551015.db2.gz GZUUSWVZIOKDGG-UHFFFAOYSA-N -1 0 336.347 3.529 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cccnc1C(=O)[O-])c1ccccc1 ZINC001603536886 973592443 /nfs/dbraw/zinc/59/24/43/973592443.db2.gz SEJGHVZSWUNHMT-UHFFFAOYSA-N -1 0 341.411 3.659 20 0 EHADRM CC[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1C)CC(F)(F)F ZINC000402543442 973622574 /nfs/dbraw/zinc/62/25/74/973622574.db2.gz YHTOZLKDJKTJDO-SNVBAGLBSA-N -1 0 332.322 3.793 20 0 EHADRM CC[C@@H](CNC(=O)N[C@H](C)c1ccc(SC(C)C)cc1)C(=O)[O-] ZINC001603560386 973668569 /nfs/dbraw/zinc/66/85/69/973668569.db2.gz XXWKOEQSEKCOFS-OLZOCXBDSA-N -1 0 338.473 3.658 20 0 EHADRM CC(C)CCN(CCC(C)C)C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC000405193098 973777145 /nfs/dbraw/zinc/77/71/45/973777145.db2.gz VJTNHCYOURNTKV-JKSUJKDBSA-N -1 0 326.481 3.734 20 0 EHADRM O=C([O-])[C@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC1CC1 ZINC000405269513 973808512 /nfs/dbraw/zinc/80/85/12/973808512.db2.gz TVOYZHCASADRSO-VIFPVBQESA-N -1 0 332.278 3.526 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)[C@@H](C)c2cc3ccccc3o2)C1 ZINC001603593979 973813918 /nfs/dbraw/zinc/81/39/18/973813918.db2.gz NUMGYZSIDGZRDQ-ORAYPTAESA-N -1 0 329.396 3.640 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)[C@H](c2ccc(F)cc2)C(C)C)C1 ZINC001603594268 973819994 /nfs/dbraw/zinc/81/99/94/973819994.db2.gz SKNNTHYIQOAYMU-LPHOPBHVSA-N -1 0 335.419 3.669 20 0 EHADRM O=C([O-])c1cc(NC(=O)C2(c3ccccc3)CC3(CCC3)C2)ccn1 ZINC001606465634 973930328 /nfs/dbraw/zinc/93/03/28/973930328.db2.gz YSGHZZONGWDUEC-UHFFFAOYSA-N -1 0 336.391 3.620 20 0 EHADRM C[C@H](NC(=O)NCCCCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000414602220 973941275 /nfs/dbraw/zinc/94/12/75/973941275.db2.gz SPYHEURHVJALCT-NSHDSACASA-N -1 0 346.349 3.711 20 0 EHADRM CO[C@H](C)c1nc(C)c(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)s1 ZINC000414462121 973941318 /nfs/dbraw/zinc/94/13/18/973941318.db2.gz ZFEXGPDBFVAUOB-MWLCHTKSSA-N -1 0 348.424 3.599 20 0 EHADRM CO[C@@H](C)c1nc(C)c(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)s1 ZINC000414462118 973941692 /nfs/dbraw/zinc/94/16/92/973941692.db2.gz ZFEXGPDBFVAUOB-KOLCDFICSA-N -1 0 348.424 3.599 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NCc1cnc([C@@H]2CCCO2)s1 ZINC000417560059 973960730 /nfs/dbraw/zinc/96/07/30/973960730.db2.gz BCWGEEGUSTWUPL-HNNXBMFYSA-N -1 0 332.425 3.922 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000417739223 973967594 /nfs/dbraw/zinc/96/75/94/973967594.db2.gz YFORWAQHVIWKPH-UHFFFAOYSA-N -1 0 334.416 3.775 20 0 EHADRM CCC[C@@H](NC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)C1CCCC1 ZINC001603634179 973968586 /nfs/dbraw/zinc/96/85/86/973968586.db2.gz ZMICTIBSXHDQHE-QZTJIDSGSA-N -1 0 344.455 3.739 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC001604765373 973987950 /nfs/dbraw/zinc/98/79/50/973987950.db2.gz WWFDCCJAVUMUDX-QWHCGFSZSA-N -1 0 348.443 3.710 20 0 EHADRM CCCCCOc1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1 ZINC001603645696 974001140 /nfs/dbraw/zinc/00/11/40/974001140.db2.gz VQKODRYOXXLZGJ-HOCLYGCPSA-N -1 0 333.428 3.581 20 0 EHADRM CCCCc1ccc(NC(=O)N(CCC(=O)[O-])C2CCOCC2)cc1 ZINC001603653464 974021046 /nfs/dbraw/zinc/02/10/46/974021046.db2.gz XBPJTNGEPUFZRU-UHFFFAOYSA-N -1 0 348.443 3.517 20 0 EHADRM CC(C)(CCNC(=O)Nc1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000424388910 974024631 /nfs/dbraw/zinc/02/46/31/974024631.db2.gz ZQKYHQURTPZQDS-UHFFFAOYSA-N -1 0 346.349 3.804 20 0 EHADRM O=C([O-])c1cccc(C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)c1 ZINC000426705864 974043614 /nfs/dbraw/zinc/04/36/14/974043614.db2.gz QJNSGMKASPFNFQ-UHFFFAOYSA-N -1 0 339.313 3.616 20 0 EHADRM O=C([O-])[C@H](NCc1ccc(OCC(F)(F)F)cc1)c1cccs1 ZINC000426823086 974048755 /nfs/dbraw/zinc/04/87/55/974048755.db2.gz ASLDNSVAZRRGAY-CYBMUJFWSA-N -1 0 345.342 3.605 20 0 EHADRM O=C([O-])[C@H](NCc1cccc(OCC(F)(F)F)c1)c1cccs1 ZINC000426807314 974048896 /nfs/dbraw/zinc/04/88/96/974048896.db2.gz MWFDSHVFZYXOTF-CYBMUJFWSA-N -1 0 345.342 3.605 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)Cc1cc2c(ccc3ccccc23)o1)C(=O)[O-] ZINC000431466241 974067008 /nfs/dbraw/zinc/06/70/08/974067008.db2.gz UIWBVQLCRHLQGV-BLVKFPJESA-N -1 0 339.391 3.744 20 0 EHADRM COc1cc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)ccc1Cl ZINC000431520996 974067426 /nfs/dbraw/zinc/06/74/26/974067426.db2.gz QHZZWJPCFZEXSJ-UHFFFAOYSA-N -1 0 347.798 3.963 20 0 EHADRM CCCOCC(=O)Nc1scc(-c2ccsc2)c1C(=O)[O-] ZINC001603678798 974067503 /nfs/dbraw/zinc/06/75/03/974067503.db2.gz IARNROJAXSZUAT-UHFFFAOYSA-N -1 0 325.411 3.540 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)C/C=C\Cc2ccccc2)c2ccccc21 ZINC001605670240 974080522 /nfs/dbraw/zinc/08/05/22/974080522.db2.gz GSYIYIHWCMACFE-XLTMVAFESA-N -1 0 335.403 3.605 20 0 EHADRM O=C([O-])c1cc(C(=O)Nc2ccccc2Nc2ccccc2)ccn1 ZINC000432104959 974086465 /nfs/dbraw/zinc/08/64/65/974086465.db2.gz CHMLJXRHBHCSNM-UHFFFAOYSA-N -1 0 333.347 3.776 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2/C=C\c2ccccc2)c(F)c1 ZINC000432129172 974091243 /nfs/dbraw/zinc/09/12/43/974091243.db2.gz JOBMCQGCLNKWNS-YHWKNFMLSA-N -1 0 339.366 3.842 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 ZINC000446910582 974123960 /nfs/dbraw/zinc/12/39/60/974123960.db2.gz BMEXVFKGFJDNRB-GFCCVEGCSA-N -1 0 330.428 3.791 20 0 EHADRM CCN(C(=O)Cc1ccc(C(=O)[O-])cc1)[C@@H](C)c1ccc(F)cc1 ZINC000448986560 974126758 /nfs/dbraw/zinc/12/67/58/974126758.db2.gz MGEOUUDAECVEOO-ZDUSSCGKSA-N -1 0 329.371 3.676 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)COc1cccc2ccccc21 ZINC001605703063 974128559 /nfs/dbraw/zinc/12/85/59/974128559.db2.gz RMOMCEOZRGAKNP-UHFFFAOYSA-N -1 0 327.361 3.617 20 0 EHADRM CC(C)c1ccsc1C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000449001022 974139361 /nfs/dbraw/zinc/13/93/61/974139361.db2.gz ZCGQVHSIBWFXFJ-AWEZNQCLSA-N -1 0 335.400 3.609 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)C2(Cc3cccc(F)c3)CCC2)c1 ZINC000450513784 974145884 /nfs/dbraw/zinc/14/58/84/974145884.db2.gz XQIVJTDHSCGKJT-UHFFFAOYSA-N -1 0 341.382 3.553 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])Cc1nc(-c2c(F)cccc2F)cs1 ZINC000455649350 974149853 /nfs/dbraw/zinc/14/98/53/974149853.db2.gz XYGFWSFIKNMOHR-JTQLQIEISA-N -1 0 340.395 3.773 20 0 EHADRM COc1nc(C(=O)Nc2c(C)cccc2C(=O)[O-])cc2ccccc21 ZINC001604906959 974173497 /nfs/dbraw/zinc/17/34/97/974173497.db2.gz SUBMNZNGIILPGP-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM Cc1ccc(-c2cc(C(=O)Nc3cc(C(=O)[O-])c(C)cc3C)n[nH]2)o1 ZINC000471985400 974198231 /nfs/dbraw/zinc/19/82/31/974198231.db2.gz LQAHAGMYXYCOFN-UHFFFAOYSA-N -1 0 339.351 3.545 20 0 EHADRM COc1ccc(Cl)cc1C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000472010788 974199262 /nfs/dbraw/zinc/19/92/62/974199262.db2.gz FKINQVGCCNJJQX-UHFFFAOYSA-N -1 0 333.771 3.916 20 0 EHADRM CSc1ccccc1C(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000507340555 974276308 /nfs/dbraw/zinc/27/63/08/974276308.db2.gz NDINXUDUKYOOAU-UHFFFAOYSA-N -1 0 349.839 3.789 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2CCCC[C@H]2c2ccccc2)s1 ZINC000512750219 974288315 /nfs/dbraw/zinc/28/83/15/974288315.db2.gz UTWJJGIQQLTRCL-KBPBESRZSA-N -1 0 329.421 3.903 20 0 EHADRM CCc1ccc([C@@H]2CN([C@@H](C)c3ccc(C(=O)[O-])o3)CCO2)cc1 ZINC000514791408 974292318 /nfs/dbraw/zinc/29/23/18/974292318.db2.gz RGZWFLWJFOVWKI-UGSOOPFHSA-N -1 0 329.396 3.675 20 0 EHADRM CCOC(=O)c1cccc(N(CC)Cc2cccc(C(=O)[O-])c2)c1 ZINC001603815033 974293324 /nfs/dbraw/zinc/29/33/24/974293324.db2.gz XEFSNRDJXCWSBB-UHFFFAOYSA-N -1 0 327.380 3.588 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccccc1N1CCc2ccccc21 ZINC000520610363 974340302 /nfs/dbraw/zinc/34/03/02/974340302.db2.gz WAQJSBJWSHVHFG-CQSZACIVSA-N -1 0 338.407 3.820 20 0 EHADRM COc1c(Cl)cc(NC(=O)c2ccc(C(=O)[O-])cc2)cc1Cl ZINC000531748732 974368812 /nfs/dbraw/zinc/36/88/12/974368812.db2.gz UKSJOLMIHWVSEB-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000532004470 974371130 /nfs/dbraw/zinc/37/11/30/974371130.db2.gz DYAURQPTJSSWSI-OAHLLOKOSA-N -1 0 347.455 3.558 20 0 EHADRM O=C([O-])c1ccc(-c2nc3cccnc3n2Cc2ccccc2)cc1 ZINC000535353353 974379435 /nfs/dbraw/zinc/37/94/35/974379435.db2.gz FTNIOZFHQAGBKS-UHFFFAOYSA-N -1 0 329.359 3.845 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(OCC3CC3)cc2)c(C(=O)[O-])c1 ZINC000541589167 974411939 /nfs/dbraw/zinc/41/19/39/974411939.db2.gz ZVNNIOQFVKXFHX-UHFFFAOYSA-N -1 0 325.364 3.734 20 0 EHADRM CC(C)c1ccc(CCNC(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000547500372 974434884 /nfs/dbraw/zinc/43/48/84/974434884.db2.gz QDXIXXFMZTXDRZ-UHFFFAOYSA-N -1 0 329.371 3.620 20 0 EHADRM CCc1ccc([C@H](NC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)C(C)C)cc1 ZINC001603969135 974454501 /nfs/dbraw/zinc/45/45/01/974454501.db2.gz ZGWOKGQCNUXMQO-ZTFGCOKTSA-N -1 0 346.471 3.698 20 0 EHADRM O=C([O-])[C@@H](CC(F)F)NC(=O)N(c1ccccc1)c1ccccc1 ZINC000548528390 974465003 /nfs/dbraw/zinc/46/50/03/974465003.db2.gz BSSXYSASSZORGN-CQSZACIVSA-N -1 0 334.322 3.643 20 0 EHADRM Cc1cc(C)cc(OCC(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC000555743308 974487722 /nfs/dbraw/zinc/48/77/22/974487722.db2.gz QODHDAQVRUIADD-OAHLLOKOSA-N -1 0 341.407 3.584 20 0 EHADRM COc1ccc(NC(=O)Cc2csc3ccccc23)c(C(=O)[O-])c1 ZINC000557498681 974492240 /nfs/dbraw/zinc/49/22/40/974492240.db2.gz CYDKNMAKROTHEX-UHFFFAOYSA-N -1 0 341.388 3.789 20 0 EHADRM CCc1sc(C(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)cc1C ZINC000563201922 974519298 /nfs/dbraw/zinc/51/92/98/974519298.db2.gz QRSABRLPSIFFSH-UHFFFAOYSA-N -1 0 344.436 3.520 20 0 EHADRM CN(C(=O)NCCC(C)(C)C(=O)[O-])C1CC(C)(C)CC(C)(C)C1 ZINC001604035093 974559528 /nfs/dbraw/zinc/55/95/28/974559528.db2.gz NCZYVQDKHKDUJA-UHFFFAOYSA-N -1 0 326.481 3.734 20 0 EHADRM CCCCN(C(=O)c1cnc(C(=O)[O-])cn1)[C@H](CC)c1ccccc1 ZINC000564964677 974559932 /nfs/dbraw/zinc/55/99/32/974559932.db2.gz CNLNNVZYUBLWEO-QGZVFWFLSA-N -1 0 341.411 3.568 20 0 EHADRM COCCN(Cc1ccc(C)o1)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000565106626 974571573 /nfs/dbraw/zinc/57/15/73/974571573.db2.gz PYALVSHUWWNDQD-UHFFFAOYSA-N -1 0 337.803 3.588 20 0 EHADRM Cc1oc(-c2cccs2)nc1CN(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000565897345 974590776 /nfs/dbraw/zinc/59/07/76/974590776.db2.gz BKHDBZASIOELJQ-UHFFFAOYSA-N -1 0 346.408 3.943 20 0 EHADRM C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000568059208 974654570 /nfs/dbraw/zinc/65/45/70/974654570.db2.gz ZUIXGHDFOGCJDN-GTNSWQLSSA-N -1 0 349.818 3.638 20 0 EHADRM CCOc1ccc(-c2nc(CN(C)[C@@H](CC(C)C)C(=O)[O-])co2)cc1 ZINC000568062734 974657947 /nfs/dbraw/zinc/65/79/47/974657947.db2.gz MZYSWPCWVQYZTP-KRWDZBQOSA-N -1 0 346.427 3.671 20 0 EHADRM CC[C@@H](CSC)[N@H+](C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000568404573 974670033 /nfs/dbraw/zinc/67/00/33/974670033.db2.gz ZQCNKPCYUORKMO-HNNXBMFYSA-N -1 0 334.441 3.613 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)NCC[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000568664183 974676852 /nfs/dbraw/zinc/67/68/52/974676852.db2.gz MRMRVJKMXYRLAQ-RYUDHWBXSA-N -1 0 345.361 3.816 20 0 EHADRM COC(=O)CCC[C@H]1CCC[C@H](Nc2cccc(CC(=O)[O-])c2)C1 ZINC000569319015 974687827 /nfs/dbraw/zinc/68/78/27/974687827.db2.gz RZRPBRFTNSPXCB-ZBFHGGJFSA-N -1 0 333.428 3.628 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)nc1 ZINC000569473190 974692235 /nfs/dbraw/zinc/69/22/35/974692235.db2.gz SFWXHMNIYRYEOZ-INIZCTEOSA-N -1 0 326.396 3.541 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000574348097 974781581 /nfs/dbraw/zinc/78/15/81/974781581.db2.gz QUCYXOOWLKPTII-ZIAGYGMSSA-N -1 0 335.469 3.701 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N[C@@H]1CCC[C@H](C2CC2)C1)C(=O)[O-] ZINC000574447284 974782556 /nfs/dbraw/zinc/78/25/56/974782556.db2.gz BCMCWKZVJKAYFV-VHDGCEQUSA-N -1 0 347.480 3.950 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000577404593 974835347 /nfs/dbraw/zinc/83/53/47/974835347.db2.gz NQCIYOOACPSMQL-HNNXBMFYSA-N -1 0 336.819 3.926 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCCC[C@@H]2C2CC2)C[C@H]1c1ccccc1 ZINC000578891404 974864610 /nfs/dbraw/zinc/86/46/10/974864610.db2.gz AGPMSUMMLKJUNM-AKHDSKFASA-N -1 0 341.451 3.530 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(Cc2ncc(C3CC3)o2)CC1 ZINC000579130453 974869301 /nfs/dbraw/zinc/86/93/01/974869301.db2.gz QMFCHVHDYAEYSL-UHFFFAOYSA-N -1 0 340.423 3.705 20 0 EHADRM O=C([O-])c1ccc([C@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C(F)(F)F)cc1 ZINC000579966652 974886385 /nfs/dbraw/zinc/88/63/85/974886385.db2.gz PGQYDNFJZBONNF-MJBXVCDLSA-N -1 0 341.329 3.541 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)CCCc1ccc(F)cc1)c1ccccc1 ZINC000580962984 974902841 /nfs/dbraw/zinc/90/28/41/974902841.db2.gz MLYNGTFPPCSVBY-SFHVURJKSA-N -1 0 343.398 3.871 20 0 EHADRM Cc1ccc(C[C@H]2CCCN(C(=O)c3ccc(C(=O)[O-])cc3)C2)cc1 ZINC000581223533 974907223 /nfs/dbraw/zinc/90/72/23/974907223.db2.gz NOXQXDXBLTWDKH-QGZVFWFLSA-N -1 0 337.419 3.788 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000581380248 974909770 /nfs/dbraw/zinc/90/97/70/974909770.db2.gz NDGYAIPOHIDLIG-YJBOKZPZSA-N -1 0 325.408 3.588 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CN1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000581829727 974916669 /nfs/dbraw/zinc/91/66/69/974916669.db2.gz IBBYKSCONSURSU-INIZCTEOSA-N -1 0 349.427 3.776 20 0 EHADRM C[C@]1(c2ccccc2)CN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CCO1 ZINC000583818158 974946599 /nfs/dbraw/zinc/94/65/99/974946599.db2.gz PJAOFAJYOUFSGP-IEBWSBKVSA-N -1 0 345.826 3.713 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2Cc3ccccc3-c3ccccc32)nc1 ZINC000612664722 975019712 /nfs/dbraw/zinc/01/97/12/975019712.db2.gz IEDDZUONTYZHCT-UHFFFAOYSA-N -1 0 330.343 3.607 20 0 EHADRM CCCC[C@@H](C(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC)C(C)C ZINC000621534983 975028135 /nfs/dbraw/zinc/02/81/35/975028135.db2.gz WNFZBEKNVFMECJ-CYBMUJFWSA-N -1 0 337.416 3.803 20 0 EHADRM O=C([O-])[C@@H]1CCCCCN1C(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000621568062 975035495 /nfs/dbraw/zinc/03/54/95/975035495.db2.gz LCLHDVLHNTZFMV-KGLIPLIRSA-N -1 0 343.345 3.578 20 0 EHADRM Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCc3c(cccc3C(=O)[O-])C2)cc1C ZINC000621580005 975041254 /nfs/dbraw/zinc/04/12/54/975041254.db2.gz ITJALDBDVDLHBX-VQTJNVASSA-N -1 0 349.430 3.690 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)C[C@H]1CCc2ccccc21 ZINC000621588096 975045399 /nfs/dbraw/zinc/04/53/99/975045399.db2.gz PWVPWOFIKZQHOM-HOJAQTOUSA-N -1 0 349.430 3.923 20 0 EHADRM CC(C)c1nc(C(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)cs1 ZINC000621588342 975045869 /nfs/dbraw/zinc/04/58/69/975045869.db2.gz WGHUCKYBOYXFPQ-GJZGRUSLSA-N -1 0 344.436 3.697 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000621588451 975046169 /nfs/dbraw/zinc/04/61/69/975046169.db2.gz YGZKMOPDWZWRNG-OKZBNKHCSA-N -1 0 345.439 3.541 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000621610497 975059201 /nfs/dbraw/zinc/05/92/01/975059201.db2.gz KUMAUNHGOWSBAX-GXTWGEPZSA-N -1 0 346.452 3.533 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000621610499 975059360 /nfs/dbraw/zinc/05/93/60/975059360.db2.gz KUMAUNHGOWSBAX-OCCSQVGLSA-N -1 0 346.452 3.533 20 0 EHADRM O=C([O-])[C@]12CN(C(=O)c3cc4cc(F)ccc4s3)C[C@H]1CCCC2 ZINC000621613993 975062247 /nfs/dbraw/zinc/06/22/47/975062247.db2.gz UYNKVUKQSOPMEB-KZULUSFZSA-N -1 0 347.411 3.757 20 0 EHADRM O=C([O-])c1ccc(CN2CCc3cc(C(F)(F)F)ccc3C2)o1 ZINC000625971674 975067871 /nfs/dbraw/zinc/06/78/71/975067871.db2.gz RJAAXKYEZUJLFV-UHFFFAOYSA-N -1 0 325.286 3.555 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000630097167 975098766 /nfs/dbraw/zinc/09/87/66/975098766.db2.gz GYZDRJVYKMBADQ-IASZTOCISA-N -1 0 345.414 3.564 20 0 EHADRM O=C([O-])C1CCN(C(=O)C2(c3ccccc3)CCCCCC2)CC1 ZINC000630097743 975099474 /nfs/dbraw/zinc/09/94/74/975099474.db2.gz LGOWXPPPOPYXRF-UHFFFAOYSA-N -1 0 329.440 3.602 20 0 EHADRM Cc1cc(C(=O)N[C@H](C)c2cccc(OC(C)C)c2)oc1C(=O)[O-] ZINC000630108324 975104261 /nfs/dbraw/zinc/10/42/61/975104261.db2.gz YEWFMLCXADTCFZ-GFCCVEGCSA-N -1 0 331.368 3.564 20 0 EHADRM C[C@H](CC(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-])c1ccco1 ZINC000630123076 975110942 /nfs/dbraw/zinc/11/09/42/975110942.db2.gz OZNITTNZCGPLRQ-CABCVRRESA-N -1 0 329.396 3.523 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)c1 ZINC000630135925 975120650 /nfs/dbraw/zinc/12/06/50/975120650.db2.gz UMWRWKQGLQIQAL-HZPDHXFCSA-N -1 0 339.391 3.672 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@@H]2c2cc(C)ccc2C)oc1C(=O)[O-] ZINC000630151625 975131475 /nfs/dbraw/zinc/13/14/75/975131475.db2.gz CFIKMDSDFYJNDX-OAHLLOKOSA-N -1 0 327.380 3.880 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000630157823 975135006 /nfs/dbraw/zinc/13/50/06/975135006.db2.gz PBTXPDLXDJHRBR-KURKYZTESA-N -1 0 343.467 3.920 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2csc(C(F)(F)F)c2)C1 ZINC000630159284 975135561 /nfs/dbraw/zinc/13/55/61/975135561.db2.gz XSZAABOMYNAUON-JTQLQIEISA-N -1 0 349.374 3.730 20 0 EHADRM C[C@@]1(NC(=O)CCc2ccc(C(F)F)cc2)CCCC[C@H]1C(=O)[O-] ZINC000630163960 975138955 /nfs/dbraw/zinc/13/89/55/975138955.db2.gz RNUHJRWSQBAFLI-KBXCAEBGSA-N -1 0 339.382 3.707 20 0 EHADRM Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)c1 ZINC000630197711 975155435 /nfs/dbraw/zinc/15/54/35/975155435.db2.gz SRGVVABWWGMXAK-JKSUJKDBSA-N -1 0 327.355 3.503 20 0 EHADRM O=C([O-])c1cccc2c1CN(C(=O)CC(C1CCC1)C1CCC1)CC2 ZINC000630199737 975156856 /nfs/dbraw/zinc/15/68/56/975156856.db2.gz JUYBCGOFYLWESE-UHFFFAOYSA-N -1 0 341.451 3.876 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CC2CCC(F)(F)CC2)[C@@H]2CCCC[C@H]12 ZINC000630208252 975159732 /nfs/dbraw/zinc/15/97/32/975159732.db2.gz RUXYNFWZLOMOEF-RBSFLKMASA-N -1 0 343.414 3.694 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N(Cc1ccc(F)cc1Cl)CC1CC1 ZINC000630228281 975176321 /nfs/dbraw/zinc/17/63/21/975176321.db2.gz FUVXIQBOSPXZNT-NSHDSACASA-N -1 0 341.810 3.719 20 0 EHADRM CC(C)[C@H](CC(=O)NCc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC000630233491 975180762 /nfs/dbraw/zinc/18/07/62/975180762.db2.gz WIIIUCBZEUPQFD-IBGZPJMESA-N -1 0 339.435 3.760 20 0 EHADRM C[C@@H](Oc1ccc(NC(=O)[C@@H](C)CC2CCCC2)cc1F)C(=O)[O-] ZINC000630257819 975200355 /nfs/dbraw/zinc/20/03/55/975200355.db2.gz FQRDXGBNVPHUON-NWDGAFQWSA-N -1 0 337.391 3.833 20 0 EHADRM CC[C@H](C(=O)NC[C@H](C(=O)[O-])C1CCCCC1)c1ccc(OC)cc1 ZINC000630268110 975211659 /nfs/dbraw/zinc/21/16/59/975211659.db2.gz WCBFRMMGCSSAGP-ROUUACIJSA-N -1 0 347.455 3.586 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3ccccc3s2)[C@@H]2CCC[C@@H]21 ZINC000630275167 975219665 /nfs/dbraw/zinc/21/96/65/975219665.db2.gz RZOWUGATGBNRIQ-MGPQQGTHSA-N -1 0 329.421 3.617 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N1CCC(F)(F)C[C@@H]1C)C(=O)[O-] ZINC000630274893 975219872 /nfs/dbraw/zinc/21/98/72/975219872.db2.gz ONELRZYPHHRVCG-WDEREUQCSA-N -1 0 343.395 3.512 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3s2)[C@@H]2CCC[C@@H]21 ZINC000630278849 975223073 /nfs/dbraw/zinc/22/30/73/975223073.db2.gz ILYVBKSAROEPME-MGPQQGTHSA-N -1 0 347.411 3.756 20 0 EHADRM Cc1cc(Cl)c(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)cc1C ZINC000630280679 975225503 /nfs/dbraw/zinc/22/55/03/975225503.db2.gz AAEPAECFIILXNN-XEZPLFJOSA-N -1 0 335.831 3.672 20 0 EHADRM Cc1ccc(CCC(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)cc1Cl ZINC000630286096 975230347 /nfs/dbraw/zinc/23/03/47/975230347.db2.gz PVIPVAGRLDJSFR-ZOBUZTSGSA-N -1 0 349.858 3.683 20 0 EHADRM COCCC1(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CCC1 ZINC000630285861 975230539 /nfs/dbraw/zinc/23/05/39/975230539.db2.gz DDXPFHLZAJCNFW-UHFFFAOYSA-N -1 0 327.380 3.683 20 0 EHADRM C[C@@H]1c2c(F)cccc2CCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000630289137 975232378 /nfs/dbraw/zinc/23/23/78/975232378.db2.gz OEIHPQCDRGYWQI-CYBMUJFWSA-N -1 0 341.382 3.602 20 0 EHADRM CC[C@@H](CC(F)(F)F)NC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000630296669 975236380 /nfs/dbraw/zinc/23/63/80/975236380.db2.gz GPSNAYUMWWEQJO-ZJUUUORDSA-N -1 0 349.374 3.713 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000630297996 975236885 /nfs/dbraw/zinc/23/68/85/975236885.db2.gz UMKKWSNFZZWBAS-HNNXBMFYSA-N -1 0 331.343 3.793 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N(C)[C@H]1CCC(C)(C)C1)C(=O)[O-] ZINC000630302666 975240333 /nfs/dbraw/zinc/24/03/33/975240333.db2.gz GVVTULAPXCFNGI-OLZOCXBDSA-N -1 0 335.469 3.903 20 0 EHADRM CN(C(=O)CC(C)(C)CC(=O)[O-])[C@H](CCc1ccccc1)C(F)F ZINC000630304498 975241326 /nfs/dbraw/zinc/24/13/26/975241326.db2.gz ISOGFKVDXXQDHH-CQSZACIVSA-N -1 0 341.398 3.602 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)[C@H]2CCc3cc(F)ccc32)cc1 ZINC000630328471 975256287 /nfs/dbraw/zinc/25/62/87/975256287.db2.gz BVUNWAACHMQEDY-OKZBNKHCSA-N -1 0 339.366 3.682 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CCC(=O)N[C@@H](CC(=O)[O-])c2cccs2)o1 ZINC000642214721 975291578 /nfs/dbraw/zinc/29/15/78/975291578.db2.gz NSOHGHFHTRAXHC-BNOWGMLFSA-N -1 0 347.436 3.729 20 0 EHADRM COCc1cc(NC(=O)c2ccc(CC(C)C)cc2)cc(C(=O)[O-])c1 ZINC000644631654 975326932 /nfs/dbraw/zinc/32/69/32/975326932.db2.gz JEJMDRHUMHKFOP-UHFFFAOYSA-N -1 0 341.407 3.982 20 0 EHADRM COC[C@H](Nc1ccc(C(=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000647450462 975363254 /nfs/dbraw/zinc/36/32/54/975363254.db2.gz QFHBEDZHZJWQDV-ZDUSSCGKSA-N -1 0 340.301 3.598 20 0 EHADRM CC[C@@H](C(=O)N1CCc2cccc(C(=O)[O-])c2C1)c1ccc(F)cc1 ZINC000649259031 975402264 /nfs/dbraw/zinc/40/22/64/975402264.db2.gz MNRYWSXCIZMHNY-MRXNPFEDSA-N -1 0 341.382 3.602 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)NC2(c3cccc(Cl)c3)CCC2)c1 ZINC000649265544 975406208 /nfs/dbraw/zinc/40/62/08/975406208.db2.gz HFPSTSCEFYDNCX-UHFFFAOYSA-N -1 0 343.810 3.776 20 0 EHADRM CC(C)Nc1ccc(Cl)cc1NC(=O)c1ccc(C(=O)[O-])nc1 ZINC001591672193 975433713 /nfs/dbraw/zinc/43/37/13/975433713.db2.gz NQZLOSMCZTZZIV-UHFFFAOYSA-N -1 0 333.775 3.506 20 0 EHADRM O=C([O-])CC1CCN(C(=O)CCCc2ccc3c(c2)CCCC3)CC1 ZINC000652051844 975458519 /nfs/dbraw/zinc/45/85/19/975458519.db2.gz SJMUGAMVYYVFCX-UHFFFAOYSA-N -1 0 343.467 3.601 20 0 EHADRM C[C@H](C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)c1ccc(Cl)cc1 ZINC000652068555 975466511 /nfs/dbraw/zinc/46/65/11/975466511.db2.gz HBVFUGWHDQEILA-ORAYPTAESA-N -1 0 345.826 3.602 20 0 EHADRM CC(C)O[C@H](C(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccccc1 ZINC001591686058 975489559 /nfs/dbraw/zinc/48/95/59/975489559.db2.gz GZVFVGYANGNAHR-IBGZPJMESA-N -1 0 341.407 3.809 20 0 EHADRM CCO[C@H]1CCCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC000652394776 975521162 /nfs/dbraw/zinc/52/11/62/975521162.db2.gz FQKQSEMFDZGYIV-IINYFYTJSA-N -1 0 332.227 3.620 20 0 EHADRM Cc1occc1CN(C)Cc1c(Br)cccc1C(=O)[O-] ZINC000652400443 975522922 /nfs/dbraw/zinc/52/29/22/975522922.db2.gz XHGYMILYSCWRMW-UHFFFAOYSA-N -1 0 338.201 3.681 20 0 EHADRM O=C([O-])[C@H](c1ccccc1)N1CCO[C@H](c2c(F)cccc2Cl)C1 ZINC000652436780 975532075 /nfs/dbraw/zinc/53/20/75/975532075.db2.gz ZHGCLHLFDFIDCH-RDJZCZTQSA-N -1 0 349.789 3.678 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cccc(CC(=O)[O-])c2)[C@@H](c2ccco2)C1 ZINC000653641484 975607524 /nfs/dbraw/zinc/60/75/24/975607524.db2.gz KFKZSZJHQFUZMU-CZUORRHYSA-N -1 0 327.380 3.520 20 0 EHADRM O=C([O-])[C@@H](c1c(F)cccc1Cl)N1CCC[C@H](OC2CCC2)C1 ZINC000656191952 975645194 /nfs/dbraw/zinc/64/51/94/975645194.db2.gz TYNAKBBSXZDTKY-BLLLJJGKSA-N -1 0 341.810 3.638 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000659118281 975714846 /nfs/dbraw/zinc/71/48/46/975714846.db2.gz FPWRJXBDWDLKII-LBPRGKRZSA-N -1 0 327.380 3.727 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)C1CCC2(CC2)CC1)C(=O)[O-] ZINC000659123697 975724856 /nfs/dbraw/zinc/72/48/56/975724856.db2.gz XRDFPWZWXJSLNC-OAHLLOKOSA-N -1 0 329.440 3.706 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001591737008 975729991 /nfs/dbraw/zinc/72/99/91/975729991.db2.gz AKURGWPXCXWJIR-UHFFFAOYSA-N -1 0 349.774 3.864 20 0 EHADRM COc1cccc(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1OC(C)C ZINC000659135117 975735804 /nfs/dbraw/zinc/73/58/04/975735804.db2.gz LUBFJDVPNQAIOQ-UHFFFAOYSA-N -1 0 343.379 3.741 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1cc(C(=O)[O-])oc1C ZINC000659140409 975740569 /nfs/dbraw/zinc/74/05/69/975740569.db2.gz NIDJHYKFDWMCMQ-OAHLLOKOSA-N -1 0 329.396 3.688 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)c1 ZINC000659146976 975747854 /nfs/dbraw/zinc/74/78/54/975747854.db2.gz MNNSYVQHKQEPCR-YOEHRIQHSA-N -1 0 337.366 3.858 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000659148732 975749595 /nfs/dbraw/zinc/74/95/95/975749595.db2.gz WSKHDOUECYIYQF-CYBMUJFWSA-N -1 0 349.770 3.583 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)[C@H]2CCC[C@@H]2Cc2ccccc2)s1 ZINC000659159102 975757991 /nfs/dbraw/zinc/75/79/91/975757991.db2.gz VJFLAXISMADVHV-ZBFHGGJFSA-N -1 0 343.448 3.722 20 0 EHADRM CC(C)Oc1c(NC(=O)N2CCC[C@@H]3CCC[C@@H]32)cccc1C(=O)[O-] ZINC001591743797 975762661 /nfs/dbraw/zinc/76/26/61/975762661.db2.gz CZCRCNCEGGDVED-BBRMVZONSA-N -1 0 346.427 3.968 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[C@@H]1c1c(C)cccc1C ZINC000659167100 975765988 /nfs/dbraw/zinc/76/59/88/975765988.db2.gz KRBABCLJSHYPSB-OAHLLOKOSA-N -1 0 327.380 3.880 20 0 EHADRM O=C([O-])c1ccc2c(c1)[C@@H](CNC(=O)[C@H]1CC13CCCC3)CCC2 ZINC000659184064 975780135 /nfs/dbraw/zinc/78/01/35/975780135.db2.gz IDNJLYQKOGINDH-NVXWUHKLSA-N -1 0 327.424 3.501 20 0 EHADRM CC(C)Oc1c(NC(=O)c2cc(C(C)C)no2)cccc1C(=O)[O-] ZINC001591746637 975786277 /nfs/dbraw/zinc/78/62/77/975786277.db2.gz PGZZBYCKZMVAJM-UHFFFAOYSA-N -1 0 332.356 3.536 20 0 EHADRM CC(C)Oc1c(NC(=O)NCCc2ccsc2)cccc1C(=O)[O-] ZINC001591747722 975797430 /nfs/dbraw/zinc/79/74/30/975797430.db2.gz XSMSMWUTNXVODD-UHFFFAOYSA-N -1 0 348.424 3.598 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(Cl)c(F)c2)[C@@H]2CCCC[C@H]12 ZINC000659195920 975799840 /nfs/dbraw/zinc/79/98/40/975799840.db2.gz ZSOGMBORWVELTM-LALPHHSUSA-N -1 0 339.794 3.585 20 0 EHADRM CC(C)(CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21)c1ccccc1 ZINC000659196491 975800908 /nfs/dbraw/zinc/80/09/08/975800908.db2.gz VAMSPBGTUOAMIT-SQNIBIBYSA-N -1 0 343.467 3.846 20 0 EHADRM O=C([O-])C[C@@H](CNC(=O)CCc1ccc(Cl)cc1Cl)C1CC1 ZINC000659208006 975817441 /nfs/dbraw/zinc/81/74/41/975817441.db2.gz WUIUTSPKIQYGJQ-LBPRGKRZSA-N -1 0 344.238 3.543 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NCc1ccc(F)cc1 ZINC001591769099 975890594 /nfs/dbraw/zinc/89/05/94/975890594.db2.gz FFCYYFVJAMXYLS-UHFFFAOYSA-N -1 0 346.358 3.633 20 0 EHADRM CC(C)Oc1ccc(F)cc1NC(=O)c1ccccc1CCC(=O)[O-] ZINC001591778416 975940683 /nfs/dbraw/zinc/94/06/83/975940683.db2.gz ZZPMHTFSINLZKI-UHFFFAOYSA-N -1 0 345.370 3.882 20 0 EHADRM CSc1cc(C)c(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)o1 ZINC000668270630 975979215 /nfs/dbraw/zinc/97/92/15/975979215.db2.gz LEHCTRZASVJPPQ-ZDUSSCGKSA-N -1 0 333.409 3.646 20 0 EHADRM CC[C@H](c1cccc(OC)c1)N(C)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000668298818 975989819 /nfs/dbraw/zinc/98/98/19/975989819.db2.gz LFYBZRBMGLEVJB-GOSISDBHSA-N -1 0 341.407 3.546 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000668323355 975997601 /nfs/dbraw/zinc/99/76/01/975997601.db2.gz VYGDBGZTWOOYRO-MPKXVKKWSA-N -1 0 343.345 3.569 20 0 EHADRM CC(C)Oc1ccccc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001591795850 976003604 /nfs/dbraw/zinc/00/36/04/976003604.db2.gz PJRHPQPPDGMBIH-UHFFFAOYSA-N -1 0 335.306 3.703 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCc2ccc(Cl)cc2)c2ccccc21 ZINC000669436304 976003880 /nfs/dbraw/zinc/00/38/80/976003880.db2.gz KLNGJYDQOGZBEZ-MRXNPFEDSA-N -1 0 343.810 3.878 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)cc1 ZINC000675946795 976017515 /nfs/dbraw/zinc/01/75/15/976017515.db2.gz RRHIAIADBNMESU-XYJFISCASA-N -1 0 345.439 3.566 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000676002697 976026299 /nfs/dbraw/zinc/02/62/99/976026299.db2.gz UZOPVGUPTUQBIP-AWEZNQCLSA-N -1 0 325.792 3.715 20 0 EHADRM Cc1oc(CN(C)C(=O)c2cc3cc(Cl)ccc3[nH]2)cc1C(=O)[O-] ZINC000676002438 976026797 /nfs/dbraw/zinc/02/67/97/976026797.db2.gz QUCZHTUMNOFUQM-UHFFFAOYSA-N -1 0 346.770 3.693 20 0 EHADRM Cc1oc(C)c(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)c1C ZINC000678990344 976036278 /nfs/dbraw/zinc/03/62/78/976036278.db2.gz YCPBUVUCXLAPBW-UHFFFAOYSA-N -1 0 337.759 3.574 20 0 EHADRM Cc1ccc(CCCC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000679100889 976042845 /nfs/dbraw/zinc/04/28/45/976042845.db2.gz DZHKFIKGEVXLHG-QGZVFWFLSA-N -1 0 331.456 3.667 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000679103315 976044734 /nfs/dbraw/zinc/04/47/34/976044734.db2.gz SGVGOGNOHGONPM-ZBFHGGJFSA-N -1 0 349.446 3.744 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc(F)cc3cccnc32)ccc1Cl ZINC000683312462 976084697 /nfs/dbraw/zinc/08/46/97/976084697.db2.gz DBPRANUPDQUWPD-UHFFFAOYSA-N -1 0 344.729 3.978 20 0 EHADRM CC(C)Sc1ccccc1NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001591829392 976091787 /nfs/dbraw/zinc/09/17/87/976091787.db2.gz IZFWWKWFTBROGK-QWHCGFSZSA-N -1 0 336.457 3.952 20 0 EHADRM CC(C)c1[nH]c(CN2CCOc3c(Cl)cccc32)cc1C(=O)[O-] ZINC001591912316 976342062 /nfs/dbraw/zinc/34/20/62/976342062.db2.gz KAAYCQMHIKDRMR-UHFFFAOYSA-N -1 0 334.803 3.889 20 0 EHADRM CC(C)c1cc(NC(=O)Nc2ccc(CC(=O)[O-])cc2)ccc1O ZINC001591936357 976459759 /nfs/dbraw/zinc/45/97/59/976459759.db2.gz VGVNUAABABVGLT-UHFFFAOYSA-N -1 0 328.368 3.787 20 0 EHADRM CCCc1cc(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)sc1C ZINC000339394674 1014329957 /nfs/dbraw/zinc/32/99/57/1014329957.db2.gz JNAHKBDVTBFGSV-UHFFFAOYSA-N -1 0 343.408 3.605 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)/C=C\c1ccccc1Cl ZINC000692457022 976489717 /nfs/dbraw/zinc/48/97/17/976489717.db2.gz YYGOSRUWCOPUQY-KHPPLWFESA-N -1 0 343.810 3.857 20 0 EHADRM CC(C)c1ccc([C@H](NC(=O)c2ccc(C(=O)[O-])n2C)C(C)C)cc1 ZINC001591948549 976501073 /nfs/dbraw/zinc/50/10/73/976501073.db2.gz IYCACYFATZSUKF-GOSISDBHSA-N -1 0 342.439 3.974 20 0 EHADRM CC(C)c1ccc(C2(C(=O)NC[C@@H](CC(=O)[O-])C3CC3)CCC2)cc1 ZINC001591948880 976503146 /nfs/dbraw/zinc/50/31/46/976503146.db2.gz NJSDNALBZSYHRA-QGZVFWFLSA-N -1 0 343.467 3.849 20 0 EHADRM CC(C)c1ccc(NC(=O)/C=C/c2cccc(O)c2)c(C(=O)[O-])c1 ZINC001591962579 976549365 /nfs/dbraw/zinc/54/93/65/976549365.db2.gz NYKTWKRDGPIBEM-RMKNXTFCSA-N -1 0 325.364 3.866 20 0 EHADRM CC(C)c1ccc(NC(=O)Cc2ccc(Cl)cn2)c(C(=O)[O-])c1 ZINC001591966257 976562261 /nfs/dbraw/zinc/56/22/61/976562261.db2.gz YLZYVNKQSGKZEI-UHFFFAOYSA-N -1 0 332.787 3.738 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)Nc1cc(C(=O)[O-])n(C)c1)CC2 ZINC001591973467 976576068 /nfs/dbraw/zinc/57/60/68/976576068.db2.gz AGFXDHSSQOKZJE-MRXNPFEDSA-N -1 0 341.411 3.656 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)CCC2 ZINC001591981638 976597585 /nfs/dbraw/zinc/59/75/85/976597585.db2.gz UIOFWHRWMVHZMH-LZLYRXPVSA-N -1 0 329.440 3.805 20 0 EHADRM CC(C)c1cccc(CNC(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC001591986795 976609563 /nfs/dbraw/zinc/60/95/63/976609563.db2.gz IIWPXOXRPVAYKM-OAHLLOKOSA-N -1 0 332.444 3.596 20 0 EHADRM CC(C)c1cccc(CC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1 ZINC001591987310 976610939 /nfs/dbraw/zinc/61/09/39/976610939.db2.gz NBNVMOKKDXCKEZ-QGZVFWFLSA-N -1 0 331.456 3.702 20 0 EHADRM CC(C)c1nc([C@@H]2CCCCN2Cc2ccsc2C(=O)[O-])no1 ZINC001592015093 976696523 /nfs/dbraw/zinc/69/65/23/976696523.db2.gz IPDLXNDJLAOVOS-LBPRGKRZSA-N -1 0 335.429 3.680 20 0 EHADRM CC(C)c1nc(NC(=O)/C=C\c2ccccc2F)sc1C(=O)[O-] ZINC001592023033 976723642 /nfs/dbraw/zinc/72/36/42/976723642.db2.gz XQUYABRRZFFFAK-FPLPWBNLSA-N -1 0 334.372 3.756 20 0 EHADRM CC(C)c1scnc1C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1 ZINC001592118010 976922925 /nfs/dbraw/zinc/92/29/25/976922925.db2.gz WEMQYSMAMWTCFQ-CYBMUJFWSA-N -1 0 338.473 3.668 20 0 EHADRM C[C@H](/C=C/C(=O)[O-])NC(=O)[C@@H]1CCC(C)(C)C[C@@H]1c1ccccc1 ZINC001592189662 977121179 /nfs/dbraw/zinc/12/11/79/977121179.db2.gz AWTSDOINZWKPKE-QYGMEYGBSA-N -1 0 329.440 3.742 20 0 EHADRM C[C@H](/C=C/C(=O)[O-])NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC001592195196 977176634 /nfs/dbraw/zinc/17/66/34/977176634.db2.gz RYKYKIZFFXCPRN-CNTUIPAMSA-N -1 0 341.432 3.666 20 0 EHADRM C[C@H](CC(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-])Cc1ccc(Cl)cc1 ZINC001592228133 977427708 /nfs/dbraw/zinc/42/77/08/977427708.db2.gz YFPDHJKXZGSBLN-ZKNMIIFVSA-N -1 0 349.858 3.620 20 0 EHADRM C[C@H](CC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)c1ccc(F)cc1 ZINC001592262000 977505280 /nfs/dbraw/zinc/50/52/80/977505280.db2.gz LCVMFVKDVCGZHQ-SECBINFHSA-N -1 0 337.297 3.934 20 0 EHADRM C[C@H](CC(=O)Nc1cc2c(cc1C(=O)[O-])OCCCO2)CC(C)(C)C ZINC001592262140 977506888 /nfs/dbraw/zinc/50/68/88/977506888.db2.gz PJRIHYUUVTZUSF-GFCCVEGCSA-N -1 0 349.427 3.947 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000654791705 1014401363 /nfs/dbraw/zinc/40/13/63/1014401363.db2.gz HNWQWCLQCOMLMX-WDEREUQCSA-N -1 0 346.349 3.661 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(CNc2ccccc2)cc1 ZINC001592394506 977945185 /nfs/dbraw/zinc/94/51/85/977945185.db2.gz JIELTUZIJGVOII-AWEZNQCLSA-N -1 0 326.396 3.738 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)OCc1cccc(Br)c1Cl ZINC001592402580 977970215 /nfs/dbraw/zinc/97/02/15/977970215.db2.gz PVNSFRYLBATFPH-QMMMGPOBSA-N -1 0 349.608 3.647 20 0 EHADRM C[C@H](CC(=O)O[C@H](C)c1cc(C(=O)[O-])co1)C(=O)c1cccc(F)c1 ZINC001592429613 978056426 /nfs/dbraw/zinc/05/64/26/978056426.db2.gz ODKQQPYGLFBGQB-GHMZBOCLSA-N -1 0 348.326 3.630 20 0 EHADRM C[C@@H](CC(C)(C)C)C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC001592439501 978091197 /nfs/dbraw/zinc/09/11/97/978091197.db2.gz KXOYZYKPBUIFNE-VIFPVBQESA-N -1 0 335.429 3.847 20 0 EHADRM C[C@@H](CC(C)(C)C)C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001592439651 978092030 /nfs/dbraw/zinc/09/20/30/978092030.db2.gz NCJVMCKXQFAOLD-TVQRCGJNSA-N -1 0 329.799 3.793 20 0 EHADRM C[C@H](CC(C)(C)C)C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001592439650 978092311 /nfs/dbraw/zinc/09/23/11/978092311.db2.gz NCJVMCKXQFAOLD-RNCFNFMXSA-N -1 0 329.799 3.793 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001592453690 978156019 /nfs/dbraw/zinc/15/60/19/978156019.db2.gz QRLOPMNFZMPTHR-HOCLYGCPSA-N -1 0 346.471 3.543 20 0 EHADRM CC(C)Oc1c(NC(=O)N[C@@H](C)CC(F)(F)F)cccc1C(=O)[O-] ZINC001592454460 978164391 /nfs/dbraw/zinc/16/43/91/978164391.db2.gz PCUVHVOVEWRCGR-VIFPVBQESA-N -1 0 348.321 3.634 20 0 EHADRM C[C@@H](CC1CCC1)NC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001592459545 978179569 /nfs/dbraw/zinc/17/95/69/978179569.db2.gz NRUBTOQLBKZZQB-ZDUSSCGKSA-N -1 0 345.443 3.685 20 0 EHADRM C[C@@H](CCCC(F)(F)F)NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC001592477519 978244515 /nfs/dbraw/zinc/24/45/15/978244515.db2.gz LSPOOXJOQHLUIW-JTQLQIEISA-N -1 0 344.333 3.531 20 0 EHADRM C[C@@H](CCNC(=O)Cn1cc(C(=O)[O-])c2ccccc21)CC(C)(C)C ZINC001592512794 978339113 /nfs/dbraw/zinc/33/91/13/978339113.db2.gz FMNSMAFJHQZGFE-AWEZNQCLSA-N -1 0 344.455 3.918 20 0 EHADRM C[C@H](NC(=O)CCCN(C)C(=O)[O-])c1cc(Cl)ccc1Cl ZINC000736636625 978346565 /nfs/dbraw/zinc/34/65/65/978346565.db2.gz MFFBLMQDBFUZER-VIFPVBQESA-N -1 0 333.215 3.561 20 0 EHADRM C[C@H](CCc1ccc2c(c1)OCO2)Nc1ccc(CCC(=O)[O-])cc1 ZINC001592540154 978422338 /nfs/dbraw/zinc/42/23/38/978422338.db2.gz GSVZBCDXHPKURV-CQSZACIVSA-N -1 0 341.407 3.866 20 0 EHADRM C[C@@H](CN(C)C(=O)Nc1cc(C(=O)[O-])cnc1Cl)c1ccccc1 ZINC001592574255 978470755 /nfs/dbraw/zinc/47/07/55/978470755.db2.gz IFXUHMUBMIBUDZ-NSHDSACASA-N -1 0 347.802 3.701 20 0 EHADRM C[C@H](CN(C)c1nc(Cl)c(C(F)(F)F)cc1Cl)C(=O)[O-] ZINC001592594204 978529705 /nfs/dbraw/zinc/52/97/05/978529705.db2.gz WVAKVSWJITZEFK-RXMQYKEDSA-N -1 0 331.121 3.564 20 0 EHADRM COc1cccc2cc(CN[C@@H](C(=O)[O-])c3cc(C)cc(C)c3)oc21 ZINC000756387755 978700052 /nfs/dbraw/zinc/70/00/52/978700052.db2.gz LXHKVDLWWKCXRW-GOSISDBHSA-N -1 0 339.391 3.974 20 0 EHADRM CCCCC[C@H](C)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000766972144 978730856 /nfs/dbraw/zinc/73/08/56/978730856.db2.gz PHGCEPPYAQVNPT-KBXCAEBGSA-N -1 0 344.455 3.886 20 0 EHADRM Cn1c(C(=O)NCCCCCCC(=O)[O-])ccc1-c1ccc(F)cc1 ZINC000767121241 978735422 /nfs/dbraw/zinc/73/54/22/978735422.db2.gz FTPSNSSZWFCRMF-UHFFFAOYSA-N -1 0 346.402 3.596 20 0 EHADRM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C2CC2)cc1 ZINC000793416164 978809458 /nfs/dbraw/zinc/80/94/58/978809458.db2.gz QOSQDVPJESISJW-UHFFFAOYSA-N -1 0 349.383 3.511 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000811820205 978864947 /nfs/dbraw/zinc/86/49/47/978864947.db2.gz RIFNGTGVLAXLMB-ZDUSSCGKSA-N -1 0 347.773 3.807 20 0 EHADRM Cc1cccc2c1OCC[C@H]2NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811823255 978868164 /nfs/dbraw/zinc/86/81/64/978868164.db2.gz NXHSZVJJTVZORU-OAHLLOKOSA-N -1 0 345.782 3.600 20 0 EHADRM Cc1cc(Cl)ccc1NC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000818789064 978923014 /nfs/dbraw/zinc/92/30/14/978923014.db2.gz SWYADKWDHRAHSL-UHFFFAOYSA-N -1 0 342.782 3.940 20 0 EHADRM O=C(/C=C\SCc1ccco1)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC000823339087 978930593 /nfs/dbraw/zinc/93/05/93/978930593.db2.gz JNCRBUNWHZYRLE-WWRUEGTHSA-N -1 0 337.441 3.566 20 0 EHADRM CC(=O)Nc1nc(CNc2cc3ccccc3cc2C(=O)[O-])cs1 ZINC000825923244 978942616 /nfs/dbraw/zinc/94/26/16/978942616.db2.gz WFDHVUJFVVFQJI-UHFFFAOYSA-N -1 0 341.392 3.565 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccc(/C=C\C(=O)[O-])o3)C2)cc1 ZINC000826539137 978946356 /nfs/dbraw/zinc/94/63/56/978946356.db2.gz OQMHUWOLHCRANL-SLLMGYAOSA-N -1 0 339.391 3.704 20 0 EHADRM C[C@@H](NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)[C@@H](C)c1ccccc1 ZINC000827646040 978962930 /nfs/dbraw/zinc/96/29/30/978962930.db2.gz NTJPNWSQKRNXQJ-HUUCEWRRSA-N -1 0 340.423 3.718 20 0 EHADRM C[C@H](c1ccccc1)[C@H](C)NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000827672616 978963144 /nfs/dbraw/zinc/96/31/44/978963144.db2.gz VKRNKAHWTHNAJD-KBPBESRZSA-N -1 0 341.411 3.768 20 0 EHADRM C[C@H](OC(=O)C1CC(OCc2ccccc2)C1)c1ccc(C(=O)[O-])o1 ZINC000827816955 978965070 /nfs/dbraw/zinc/96/50/70/978965070.db2.gz FHRWNZFFHMLEAP-GRTSSRMGSA-N -1 0 344.363 3.577 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)[C@@H]2SCCc3sccc32)cc1 ZINC000830507303 979019231 /nfs/dbraw/zinc/01/92/31/979019231.db2.gz ICPPPORMGALQAY-CQSZACIVSA-N -1 0 348.449 3.831 20 0 EHADRM Cc1cccc(C[C@@H](CNC(=O)Nc2cccc(F)c2C)C(=O)[O-])c1 ZINC000832969328 979062367 /nfs/dbraw/zinc/06/23/67/979062367.db2.gz KRICDAYRCSQNQF-HNNXBMFYSA-N -1 0 344.386 3.508 20 0 EHADRM CC[C@@H](C)c1ccccc1OS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC001595016337 979070161 /nfs/dbraw/zinc/07/01/61/979070161.db2.gz ULHWNIWZDLRDKE-GFCCVEGCSA-N -1 0 348.420 3.974 20 0 EHADRM C[C@H](CNC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)C(=O)[O-] ZINC001592675367 979090091 /nfs/dbraw/zinc/09/00/91/979090091.db2.gz RWPVEOSXXYFVOM-LLVKDONJSA-N -1 0 348.786 3.975 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)c1ccccc1F ZINC000833168937 979104013 /nfs/dbraw/zinc/10/40/13/979104013.db2.gz GOYKSHKMJKKRPE-IJEWVQPXSA-N -1 0 348.757 3.952 20 0 EHADRM CC[C@H](C)n1nc(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)cc1C ZINC001595022520 979106450 /nfs/dbraw/zinc/10/64/50/979106450.db2.gz MBVCPFFOJRKDGL-AAEUAGOBSA-N -1 0 330.384 3.779 20 0 EHADRM C[C@](CNC(=O)Nc1ccc(Cl)cc1)(C(=O)[O-])c1ccccc1 ZINC001592682758 979106968 /nfs/dbraw/zinc/10/69/68/979106968.db2.gz SDTBLWVYAAKSBK-QGZVFWFLSA-N -1 0 332.787 3.504 20 0 EHADRM C[C@@H](CNC(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccc(F)cc1 ZINC001592694660 979148931 /nfs/dbraw/zinc/14/89/31/979148931.db2.gz YDCAFPIXJYZZAL-JTQLQIEISA-N -1 0 335.762 3.711 20 0 EHADRM CC[C@H](CC(=O)NC[C@H](Cc1ccccc1OC)C(=O)[O-])C(C)(C)C ZINC001595033672 979177765 /nfs/dbraw/zinc/17/77/65/979177765.db2.gz PBZBKQSSQFEPHW-JKSUJKDBSA-N -1 0 349.471 3.517 20 0 EHADRM CC[C@@H](CC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)c1ccc(OC)cc1 ZINC001595033994 979180400 /nfs/dbraw/zinc/18/04/00/979180400.db2.gz XDMPUDMIUAVCSB-XJKSGUPXSA-N -1 0 335.444 3.585 20 0 EHADRM CC[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1)C(C)C ZINC001595034106 979181257 /nfs/dbraw/zinc/18/12/57/979181257.db2.gz YWPYQMWTYIZUDQ-ZUZCIYMTSA-N -1 0 329.799 3.793 20 0 EHADRM CCC(CC)(C(=O)NCc1ccccc1CC(=O)[O-])c1ccccc1 ZINC001595041363 979223202 /nfs/dbraw/zinc/22/32/02/979223202.db2.gz KMQRBLFHHBMFED-UHFFFAOYSA-N -1 0 339.435 3.688 20 0 EHADRM CCC(CC)(CC(=O)[O-])C(=O)OCc1cc(-c2ccc(F)cc2)no1 ZINC001595048871 979269915 /nfs/dbraw/zinc/26/99/15/979269915.db2.gz RFQDXPMQIUWFKH-UHFFFAOYSA-N -1 0 349.358 3.805 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1cccc(COCC2CC2)c1 ZINC001595050204 979277351 /nfs/dbraw/zinc/27/73/51/979277351.db2.gz NATBTOYDARKPTO-UHFFFAOYSA-N -1 0 348.443 3.768 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1cc(C)c(C(C)=O)c(C)c1 ZINC001595051378 979283861 /nfs/dbraw/zinc/28/38/61/979283861.db2.gz YDDQQEXNXHRJMT-UHFFFAOYSA-N -1 0 334.416 3.661 20 0 EHADRM CCC(CC)(CNC(=O)c1ccc(N2CCCCCC2)cc1)C(=O)[O-] ZINC001595075127 979348183 /nfs/dbraw/zinc/34/81/83/979348183.db2.gz GZVKZDUAYXMNKD-UHFFFAOYSA-N -1 0 346.471 3.688 20 0 EHADRM C[C@@](COC(=O)CSc1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC001592765158 979368907 /nfs/dbraw/zinc/36/89/07/979368907.db2.gz OIUUEZYPVWTDKO-SFHVURJKSA-N -1 0 348.395 3.504 20 0 EHADRM C[C@@](COC(=O)Cc1coc2ccccc12)(C(=O)[O-])c1ccccc1 ZINC001592765626 979372997 /nfs/dbraw/zinc/37/29/97/979372997.db2.gz WWSVXDBQDFUABZ-FQEVSTJZSA-N -1 0 338.359 3.561 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1c1ncnc2sc(-c3ccccc3)cc21 ZINC000844218400 979382044 /nfs/dbraw/zinc/38/20/44/979382044.db2.gz NINDRDMQJZJYHW-YPMHNXCESA-N -1 0 339.420 3.658 20 0 EHADRM Cc1noc(C)c1CN(C)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000846237362 979417128 /nfs/dbraw/zinc/41/71/28/979417128.db2.gz GFDHXZKUPXHJSI-CQSZACIVSA-N -1 0 343.210 3.856 20 0 EHADRM C[C@H](CS(=O)(=O)[C@@H](C)c1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC001592788145 979428183 /nfs/dbraw/zinc/42/81/83/979428183.db2.gz PBYQFWWTUJWMEU-KGLIPLIRSA-N -1 0 348.420 3.675 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)-c1ccccc1C2 ZINC000846713619 979463733 /nfs/dbraw/zinc/46/37/33/979463733.db2.gz UYTCPFVHNAWLNR-KRWDZBQOSA-N -1 0 335.403 3.727 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)NCC(CC)(CC)C(=O)[O-])cc1 ZINC001595121766 979496045 /nfs/dbraw/zinc/49/60/45/979496045.db2.gz VASUZVRWLJWICU-UHFFFAOYSA-N -1 0 335.444 3.875 20 0 EHADRM CC[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851592897 979501893 /nfs/dbraw/zinc/50/18/93/979501893.db2.gz HFQWTFPGOZVUDG-WONIAPNHSA-N -1 0 327.380 3.818 20 0 EHADRM CCC(CC)n1nc(C(=O)Nc2sc(C)cc2C(=O)[O-])cc1C ZINC001595124372 979504577 /nfs/dbraw/zinc/50/45/77/979504577.db2.gz FLOZVRKROUQHHM-UHFFFAOYSA-N -1 0 335.429 3.873 20 0 EHADRM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851601294 979520687 /nfs/dbraw/zinc/52/06/87/979520687.db2.gz KJWWBSKUVQAPKX-HWVTXJIGSA-N -1 0 343.354 3.570 20 0 EHADRM C[C@H](CSc1ccccc1)N(C)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001592832425 979564970 /nfs/dbraw/zinc/56/49/70/979564970.db2.gz RRTWPSNGCIEYPL-YGNAEDSMSA-N -1 0 345.420 3.630 20 0 EHADRM C[C@](Cc1ccc(Cl)cc1)(NC(=O)[C@H](F)c1ccccc1)C(=O)[O-] ZINC001592840003 979602274 /nfs/dbraw/zinc/60/22/74/979602274.db2.gz ZNSCWMVELKDGBD-CRAIPNDOSA-N -1 0 349.789 3.553 20 0 EHADRM C[C@H]1CCCCN1C(=O)c1ccc(NCc2ccoc2C(=O)[O-])cc1 ZINC000859799600 979634509 /nfs/dbraw/zinc/63/45/09/979634509.db2.gz QBMRXXJTPPLRCH-ZDUSSCGKSA-N -1 0 342.395 3.605 20 0 EHADRM C[C@](Cc1ccc(F)cc1)(NC(=O)c1cccc(C2CC2)c1)C(=O)[O-] ZINC001592848950 979634582 /nfs/dbraw/zinc/63/45/82/979634582.db2.gz YKLSAYKFLYUOFO-HXUWFJFHSA-N -1 0 341.382 3.519 20 0 EHADRM CC[C@@](CNC(=O)Nc1cc(F)ccc1C)(C(=O)[O-])c1ccccc1 ZINC001595153056 979650054 /nfs/dbraw/zinc/65/00/54/979650054.db2.gz SGOXIFDNULLWJK-IBGZPJMESA-N -1 0 344.386 3.688 20 0 EHADRM CC[C@@H](CNC(=O)Nc1cc(C(=O)[O-])sc1C)CC(F)(F)F ZINC001595153324 979651773 /nfs/dbraw/zinc/65/17/73/979651773.db2.gz VPWTVLWUKCHINA-MRVPVSSYSA-N -1 0 338.351 3.855 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)s1 ZINC000862171780 979656925 /nfs/dbraw/zinc/65/69/25/979656925.db2.gz QQOKLNISSBUZRQ-UHFFFAOYSA-N -1 0 338.388 3.684 20 0 EHADRM CCc1ccc(CN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)C2CC2)cc1 ZINC000864102354 979686837 /nfs/dbraw/zinc/68/68/37/979686837.db2.gz SMZBYNMXADDKOA-ZRDIBKRKSA-N -1 0 339.391 3.745 20 0 EHADRM CC(C)Oc1ccc([C@H](C)NC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC000864107042 979694966 /nfs/dbraw/zinc/69/49/66/979694966.db2.gz ZWWKRKFZRNRPEA-FUWURINLSA-N -1 0 343.379 3.656 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1cc2c(ccc3ccccc23)o1 ZINC000864115857 979708598 /nfs/dbraw/zinc/70/85/98/979708598.db2.gz GZULOQRTDVGTIQ-UHFFFAOYSA-N -1 0 325.364 3.959 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C2([C@@H]3CCCCO3)CCC2)cc1 ZINC000864121759 979718574 /nfs/dbraw/zinc/71/85/74/979718574.db2.gz JLDAAWWPWHIQJW-INIZCTEOSA-N -1 0 345.439 3.727 20 0 EHADRM CC[C@@H]1c2ccccc2CCN1C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000864128714 979729607 /nfs/dbraw/zinc/72/96/07/979729607.db2.gz RFJSJSYLMLQZKF-IWAYRVGRSA-N -1 0 325.364 3.527 20 0 EHADRM Cc1ccc(C)c([C@@H]2CCCN2C(=O)/C=C/c2ccc(C(=O)[O-])o2)c1 ZINC000864129924 979731356 /nfs/dbraw/zinc/73/13/56/979731356.db2.gz OODGNHCSOXBXFB-VMSUTVGLSA-N -1 0 339.391 3.972 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)C2([C@H]3CCCCO3)CCC2)cc1)C(=O)[O-] ZINC000864135689 979738309 /nfs/dbraw/zinc/73/83/09/979738309.db2.gz OOZLFHIKCOXCCC-RHSMWYFYSA-N -1 0 345.439 3.628 20 0 EHADRM C[C@@H](Cc1ccc(NCCc2ccc3c(c2)CCO3)cc1)C(=O)[O-] ZINC001592877666 979745411 /nfs/dbraw/zinc/74/54/11/979745411.db2.gz ONTUSXAXQNCKNZ-AWEZNQCLSA-N -1 0 325.408 3.539 20 0 EHADRM CCN(C(=O)/C=C\c1ccc(C(=O)[O-])o1)[C@H](C)Cc1ccsc1 ZINC000864142309 979747329 /nfs/dbraw/zinc/74/73/29/979747329.db2.gz GAAFRSBGSIBBGJ-SMYYYNMVSA-N -1 0 333.409 3.532 20 0 EHADRM CCOc1ccccc1[C@H](CC)NC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000864142981 979748022 /nfs/dbraw/zinc/74/80/22/979748022.db2.gz XXTFMONNKIEWNZ-SCOAYWHSSA-N -1 0 343.379 3.657 20 0 EHADRM CC[C@H](CNc1nc(C)nc2sc3c(c21)CCCCC3)C(=O)[O-] ZINC001595173054 979749323 /nfs/dbraw/zinc/74/93/23/979749323.db2.gz YKHIXHFYADEPDE-LLVKDONJSA-N -1 0 333.457 3.791 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC001592883213 979758286 /nfs/dbraw/zinc/75/82/86/979758286.db2.gz NEMIXVCLDZLZET-WBMJQRKESA-N -1 0 337.847 3.668 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)/C=C\c3ccc(C(=O)[O-])o3)C2)cc1 ZINC000864157755 979770220 /nfs/dbraw/zinc/77/02/20/979770220.db2.gz RZKMOBZESGFGSZ-SLLMGYAOSA-N -1 0 339.391 3.704 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC001592890727 979779282 /nfs/dbraw/zinc/77/92/82/979779282.db2.gz KEQZNZJWEWEFHL-ZDUSSCGKSA-N -1 0 337.847 3.670 20 0 EHADRM Cc1ccc(CC[C@@H](C)NC(=O)c2cc(C(=O)[O-])ccc2Cl)o1 ZINC000864176935 979821255 /nfs/dbraw/zinc/82/12/55/979821255.db2.gz ABBOUUZTTQIEBW-SNVBAGLBSA-N -1 0 335.787 3.691 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)o1 ZINC000864179758 979826704 /nfs/dbraw/zinc/82/67/04/979826704.db2.gz DGQINBPGDLJNOK-SOGBHIHOSA-N -1 0 343.354 3.884 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)o1 ZINC000864179756 979826903 /nfs/dbraw/zinc/82/69/03/979826903.db2.gz DGQINBPGDLJNOK-PXUDHTSWSA-N -1 0 343.354 3.884 20 0 EHADRM C[C@@H](Cc1ccsc1)Nc1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001592906951 979850563 /nfs/dbraw/zinc/85/05/63/979850563.db2.gz RQWGBJMSRBJZLL-QMMMGPOBSA-N -1 0 330.331 3.903 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@](C)(CC(=O)[O-])C1CC1 ZINC000864197631 979865738 /nfs/dbraw/zinc/86/57/38/979865738.db2.gz HYCIQGLUGTTWFL-QLJPJBMISA-N -1 0 341.860 3.580 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N[C@](C)(CC(=O)[O-])C1CC1 ZINC000864199477 979874226 /nfs/dbraw/zinc/87/42/26/979874226.db2.gz TXSUDWLCFPJDQW-QGZVFWFLSA-N -1 0 335.400 3.722 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)NCC(C)(C)C(C)(F)F)C(=O)[O-] ZINC000864217962 979907678 /nfs/dbraw/zinc/90/76/78/979907678.db2.gz TZILJPZJTZXJAW-SNVBAGLBSA-N -1 0 345.411 3.663 20 0 EHADRM CC[C@H](C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21)c1ccc(F)cc1 ZINC000864226542 979913009 /nfs/dbraw/zinc/91/30/09/979913009.db2.gz JJLQBNKOXSOWBJ-ZBFHGGJFSA-N -1 0 341.382 3.924 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)[C@@H](C)Cc2cccc(F)c2)c1 ZINC000864228124 979918476 /nfs/dbraw/zinc/91/84/76/979918476.db2.gz AXWCJTOQMSIFGC-KSSFIOAISA-N -1 0 343.398 3.645 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001595210051 979982651 /nfs/dbraw/zinc/98/26/51/979982651.db2.gz AQNJWIRJZVEQCZ-GOSISDBHSA-N -1 0 339.435 3.921 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC001595210766 979985906 /nfs/dbraw/zinc/98/59/06/979985906.db2.gz KGXBYOYZIBUGKN-AEFFLSMTSA-N -1 0 331.456 3.653 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(CC)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001595213377 980006377 /nfs/dbraw/zinc/00/63/77/980006377.db2.gz QBTCEBFIUZKTPI-IBGZPJMESA-N -1 0 339.435 3.797 20 0 EHADRM CC(F)(F)c1ccc(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)cc1 ZINC001592944473 980022757 /nfs/dbraw/zinc/02/27/57/980022757.db2.gz ZDSFQFASBWZOJE-UHFFFAOYSA-N -1 0 345.305 3.625 20 0 EHADRM Cc1ccc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1C(=O)[O-] ZINC000872157811 980040708 /nfs/dbraw/zinc/04/07/08/980040708.db2.gz USIKAJDBMREKFP-GOSISDBHSA-N -1 0 345.826 3.920 20 0 EHADRM CCC(F)(F)c1ccccc1NC(=O)N1CCC(C(=O)[O-])CC1 ZINC001595225344 980072339 /nfs/dbraw/zinc/07/23/39/980072339.db2.gz KSPQVMNTXNNJJN-UHFFFAOYSA-N -1 0 326.343 3.517 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)C[C@H](C)CC(=O)[O-])cc2)nc1 ZINC000872843987 980160152 /nfs/dbraw/zinc/16/01/52/980160152.db2.gz DFXPKHPIACRICM-ZDUSSCGKSA-N -1 0 328.368 3.622 20 0 EHADRM CC[C@@H](NC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001595249254 980201848 /nfs/dbraw/zinc/20/18/48/980201848.db2.gz HRIWQJBCMSZKKN-UXIGCNINSA-N -1 0 338.835 3.543 20 0 EHADRM CC[C@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)c1cc(C)ccc1C ZINC001595252750 980223952 /nfs/dbraw/zinc/22/39/52/980223952.db2.gz KHJSMLHRNZCSDW-SFHVURJKSA-N -1 0 340.423 3.952 20 0 EHADRM CC[C@H](NC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)[C@@H]1CC1(C)C ZINC001595253103 980227127 /nfs/dbraw/zinc/22/71/27/980227127.db2.gz UGZIQXRERHEMJS-KBPBESRZSA-N -1 0 329.400 3.812 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cn1)c1ccc(Cl)s1 ZINC001595256690 980239273 /nfs/dbraw/zinc/23/92/73/980239273.db2.gz GIUCHLNWKKUJTA-SECBINFHSA-N -1 0 339.804 3.768 20 0 EHADRM C[C@H](CC(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1)C1CCCCC1 ZINC001593010354 980241907 /nfs/dbraw/zinc/24/19/07/980241907.db2.gz FSVGIHHIFIHYLQ-CABCVRRESA-N -1 0 347.455 3.934 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1OC)c1ccc(C)cc1 ZINC001595257932 980250130 /nfs/dbraw/zinc/25/01/30/980250130.db2.gz VIQNRJCNQBCRAK-HNNXBMFYSA-N -1 0 342.395 3.975 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(C)c(C(=O)[O-])c1)c1cc(F)ccc1OC ZINC001595268963 980281616 /nfs/dbraw/zinc/28/16/16/980281616.db2.gz ACAWUEKTQNZAKL-MRXNPFEDSA-N -1 0 345.370 3.722 20 0 EHADRM CC[C@@H](NC(=O)c1ccccc1S[C@H](C)C(=O)[O-])C1CCCC1 ZINC001595272125 980290471 /nfs/dbraw/zinc/29/04/71/980290471.db2.gz HYXWREVQMUNFAN-IUODEOHRSA-N -1 0 335.469 3.950 20 0 EHADRM O=C([O-])/C=C/c1ccc(CN2CCO[C@H](c3cccc(Cl)c3)C2)o1 ZINC000901450627 980292936 /nfs/dbraw/zinc/29/29/36/980292936.db2.gz WODAUXWFLCAMEY-LXXRFIIISA-N -1 0 347.798 3.604 20 0 EHADRM Cn1ncc(C2CCC2)c1CNc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000901513114 980328715 /nfs/dbraw/zinc/32/87/15/980328715.db2.gz LJZRHKRABIFJES-UHFFFAOYSA-N -1 0 327.428 3.662 20 0 EHADRM O=C([O-])CN(Cc1scnc1C1CC1)Cc1ccc(Cl)cc1 ZINC000901590713 980396454 /nfs/dbraw/zinc/39/64/54/980396454.db2.gz RIAKIUWXJFZFNE-UHFFFAOYSA-N -1 0 336.844 3.761 20 0 EHADRM CC[C@@H](NCc1cc(COC(C)(C)C)on1)c1ccc(C(=O)[O-])cc1 ZINC001595299263 980425878 /nfs/dbraw/zinc/42/58/78/980425878.db2.gz NVLATUIMEVOGFN-QGZVFWFLSA-N -1 0 346.427 3.929 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC1CCN(c2nccs2)CC1 ZINC000901719560 980463331 /nfs/dbraw/zinc/46/33/31/980463331.db2.gz DFFSUYPIXUEGFD-UHFFFAOYSA-N -1 0 331.441 3.539 20 0 EHADRM CC[C@@H](Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC001595318196 980498295 /nfs/dbraw/zinc/49/82/95/980498295.db2.gz HHEKYCOYLOMSPR-OAHLLOKOSA-N -1 0 332.787 3.867 20 0 EHADRM CC[C@](O)(C(=O)Nc1ccc(C)c(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC001595323529 980524256 /nfs/dbraw/zinc/52/42/56/980524256.db2.gz WNQVCJBVKDHUFJ-GOSISDBHSA-N -1 0 347.798 3.583 20 0 EHADRM CC[C@](NCc1nccn1C(C)C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000901872071 980584945 /nfs/dbraw/zinc/58/49/45/980584945.db2.gz HSVJMMZGMIVWHN-QGZVFWFLSA-N -1 0 335.835 3.597 20 0 EHADRM CC[C@H](OC(=O)CCCC(=O)[O-])c1cccc(Br)c1 ZINC001595337419 980599823 /nfs/dbraw/zinc/59/98/23/980599823.db2.gz ONOHBRWYFHQNJG-LBPRGKRZSA-N -1 0 329.190 3.698 20 0 EHADRM CC[C@H](OC(=O)c1cc(-c2ccccc2)nc2ccccc21)C(=O)[O-] ZINC001595345185 980630101 /nfs/dbraw/zinc/63/01/01/980630101.db2.gz QNBJQQVYGVUKST-SFHVURJKSA-N -1 0 335.359 3.922 20 0 EHADRM O=C([O-])C[C@@H]1COCCN1Cc1ccc(Sc2ccccc2)cc1 ZINC000902001281 980678598 /nfs/dbraw/zinc/67/85/98/980678598.db2.gz DAUHBEATTVQBDV-MRXNPFEDSA-N -1 0 343.448 3.513 20 0 EHADRM O=C([O-])C[C@H]1COCCN1Cc1ccc(Sc2ccccc2)cc1 ZINC000902001280 980678605 /nfs/dbraw/zinc/67/86/05/980678605.db2.gz DAUHBEATTVQBDV-INIZCTEOSA-N -1 0 343.448 3.513 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001595356670 980714351 /nfs/dbraw/zinc/71/43/51/980714351.db2.gz MWANMXFLHBHVTL-FUHWJXTLSA-N -1 0 347.455 3.550 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)Oc1cc(C(=O)[O-])cc(F)c1C ZINC001595356937 980717519 /nfs/dbraw/zinc/71/75/19/980717519.db2.gz OLXDHRJABKDGFJ-HNNXBMFYSA-N -1 0 346.354 3.904 20 0 EHADRM CC[C@H](OCCOc1ccc(C(=O)[O-])cc1OC)c1ccccc1 ZINC001595357231 980719868 /nfs/dbraw/zinc/71/98/68/980719868.db2.gz WDCUPVIIPPJAJZ-INIZCTEOSA-N -1 0 330.380 3.940 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC001595358208 980729891 /nfs/dbraw/zinc/72/98/91/980729891.db2.gz FORWWKHYKZGRPH-IAGOWNOFSA-N -1 0 343.448 3.842 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001595359302 980740400 /nfs/dbraw/zinc/74/04/00/980740400.db2.gz WOFXVIQAUWIMPS-WBVHZDCISA-N -1 0 349.496 3.955 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)Nc1cc(C)c(C(=O)[O-])c(C)n1 ZINC001595359388 980741053 /nfs/dbraw/zinc/74/10/53/980741053.db2.gz ZOAMUWPZZNLFRS-CQSZACIVSA-N -1 0 344.436 3.906 20 0 EHADRM CCCN(CC(=O)Nc1ccccc1C)Cc1cc(C(=O)[O-])cs1 ZINC000902128095 980747478 /nfs/dbraw/zinc/74/74/78/980747478.db2.gz DUUOIXHYIBVTRM-UHFFFAOYSA-N -1 0 346.452 3.605 20 0 EHADRM COCCOc1ccc(N[C@@H]2CC[C@@H](CC(=O)[O-])[C@H]2C)cc1Cl ZINC000902151469 980759370 /nfs/dbraw/zinc/75/93/70/980759370.db2.gz AWROGDAAWVPXAC-TYNCELHUSA-N -1 0 341.835 3.667 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)C[C@H]1CCC[C@@H](OC)C1 ZINC001595361949 980767201 /nfs/dbraw/zinc/76/72/01/980767201.db2.gz SEBGDPDVICGGMS-CGTJXYLNSA-N -1 0 347.455 3.646 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)Cc1c(F)cccc1F ZINC001595362247 980769464 /nfs/dbraw/zinc/76/94/64/980769464.db2.gz ZHTJEUUHPIVRBW-QGZVFWFLSA-N -1 0 347.361 3.572 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1cn(C(C)C)nc1C ZINC001595362912 980776019 /nfs/dbraw/zinc/77/60/19/980776019.db2.gz SNIBMJCZLSOYQN-GOSISDBHSA-N -1 0 329.444 3.810 20 0 EHADRM CCc1oc(CNc2cc(OC)ccc2OC(C)C)cc1C(=O)[O-] ZINC000902220661 980788122 /nfs/dbraw/zinc/78/81/22/980788122.db2.gz HSEPXIVWYOQDSO-UHFFFAOYSA-N -1 0 333.384 3.948 20 0 EHADRM CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC001595364071 980789858 /nfs/dbraw/zinc/78/98/58/980789858.db2.gz OGJBGOJDJOLZAV-GFCCVEGCSA-N -1 0 333.413 3.846 20 0 EHADRM CC[C@@]1(C)CCCN(C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)C1 ZINC001595369415 980838518 /nfs/dbraw/zinc/83/85/18/980838518.db2.gz ZBAWRIRIFJMUKS-SFHVURJKSA-N -1 0 329.400 3.910 20 0 EHADRM CC[C@]1(C)CCN(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)C1 ZINC001595371054 980847049 /nfs/dbraw/zinc/84/70/49/980847049.db2.gz NGMMHIUGLVRQNM-OAHLLOKOSA-N -1 0 328.771 3.831 20 0 EHADRM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001595374051 980880097 /nfs/dbraw/zinc/88/00/97/980880097.db2.gz TYJBPMLWMUUFNJ-HOTGVXAUSA-N -1 0 348.443 3.751 20 0 EHADRM CCC1(CC)Oc2ccc(NC(=O)c3cc(C(=O)[O-])oc3C)cc2O1 ZINC001595376603 980907271 /nfs/dbraw/zinc/90/72/71/980907271.db2.gz CYROSZFNECQDPL-UHFFFAOYSA-N -1 0 345.351 3.826 20 0 EHADRM CC[C@H]1C[C@H](C)CN1C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001595409117 981005452 /nfs/dbraw/zinc/00/54/52/981005452.db2.gz SHFHEASTIJHCQS-STQMWFEESA-N -1 0 334.416 3.824 20 0 EHADRM CC[C@H]1C[C@H](CC(=O)Nc2cccc(C(=O)[O-])c2Cl)CCO1 ZINC001595413898 981018186 /nfs/dbraw/zinc/01/81/86/981018186.db2.gz UTPZTCOXOUPPRD-MNOVXSKESA-N -1 0 325.792 3.572 20 0 EHADRM CC[C@H]1CCC[C@]1(C)C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC001595435134 981062629 /nfs/dbraw/zinc/06/26/29/981062629.db2.gz GWLRCZLSQIQXFY-GTNSWQLSSA-N -1 0 347.440 3.991 20 0 EHADRM Cn1c(Cl)nc(Cl)c1CNc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000904027095 981081495 /nfs/dbraw/zinc/08/14/95/981081495.db2.gz URKWMVGVKXBUOJ-WDEREUQCSA-N -1 0 340.210 3.527 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001595443890 981084197 /nfs/dbraw/zinc/08/41/97/981084197.db2.gz DUYLTAYATVOAAG-HYVNUMGLSA-N -1 0 332.444 3.779 20 0 EHADRM O=C([O-])c1cnc(C2CCN(C(=O)[C@@H]3CCC=CCCC3)CC2)s1 ZINC000905006318 981085914 /nfs/dbraw/zinc/08/59/14/981085914.db2.gz PEWDYHHBUOSQLE-CQSZACIVSA-N -1 0 348.468 3.684 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001595447390 981095309 /nfs/dbraw/zinc/09/53/09/981095309.db2.gz GLYZFPAQXOMXQR-NXHRZFHOSA-N -1 0 347.455 3.612 20 0 EHADRM CC[C@@H]1CCN(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)[C@@H]1C ZINC001595460161 981142540 /nfs/dbraw/zinc/14/25/40/981142540.db2.gz RJQUTPWGWDNXBZ-VXGBXAGGSA-N -1 0 327.384 3.585 20 0 EHADRM CC[C@H]1CCc2nc(NC(=O)C3(C(=O)[O-])CC4(CCC4)C3)sc2C1 ZINC001595470408 981168459 /nfs/dbraw/zinc/16/84/59/981168459.db2.gz HWIWYBYVBANOKK-NSHDSACASA-N -1 0 348.468 3.632 20 0 EHADRM COc1c(NC(=O)CC(C)(C)c2ccc(F)cc2)cccc1C(=O)[O-] ZINC000906500736 981170063 /nfs/dbraw/zinc/17/00/63/981170063.db2.gz MUNNJEIVKVNOBZ-UHFFFAOYSA-N -1 0 345.370 3.839 20 0 EHADRM CC[C@@H]1CN(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)CCS1 ZINC001595474818 981189119 /nfs/dbraw/zinc/18/91/19/981189119.db2.gz JNNPDAITVGAGKP-SECBINFHSA-N -1 0 346.811 3.537 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c1 ZINC000907565729 981192442 /nfs/dbraw/zinc/19/24/42/981192442.db2.gz QDFFNIOPKJJYMV-YXKFXFPPSA-N -1 0 339.391 3.591 20 0 EHADRM CC[C@H]1CN(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)CCCO1 ZINC001595476046 981194021 /nfs/dbraw/zinc/19/40/21/981194021.db2.gz WJMUWLULHDBESZ-HNNXBMFYSA-N -1 0 342.395 3.571 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2ccc(F)c3occc32)C1 ZINC000907628795 981202125 /nfs/dbraw/zinc/20/21/25/981202125.db2.gz NZDNJAJDIFAEBI-NSHDSACASA-N -1 0 333.359 3.535 20 0 EHADRM CC[C@@H]1CN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CCCO1 ZINC001595484529 981222534 /nfs/dbraw/zinc/22/25/34/981222534.db2.gz RTYVSYNFMXWYQJ-RISCZKNCSA-N -1 0 332.227 3.620 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NCc2csc(C(C)(C)C)n2)cc1 ZINC000683170866 1014718316 /nfs/dbraw/zinc/71/83/16/1014718316.db2.gz BMQQXCPPNDEDCX-OAHLLOKOSA-N -1 0 348.468 3.755 20 0 EHADRM CC(C)CCCCCC(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC000908166948 981276313 /nfs/dbraw/zinc/27/63/13/981276313.db2.gz WBXROGLNYRCEQZ-CSLYMUCUSA-N -1 0 341.517 3.838 20 0 EHADRM CC/C=C\[C@@H](OC(=O)c1sc2ncccc2c1Cl)C(=O)[O-] ZINC001595513578 981305966 /nfs/dbraw/zinc/30/59/66/981305966.db2.gz FACYIVXAPWFQLU-JVBZPZKUSA-N -1 0 325.773 3.526 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)c2ccccc2CCC(F)(F)F)C1 ZINC000908372476 981309205 /nfs/dbraw/zinc/30/92/05/981309205.db2.gz CXYDJMPJMZXBID-YPMHNXCESA-N -1 0 343.345 3.555 20 0 EHADRM C[C@H](c1ccc(C(=O)N2CCC(CC(=O)[O-])CC2)cc1)C(F)(F)F ZINC000908681735 981338114 /nfs/dbraw/zinc/33/81/14/981338114.db2.gz QECNADHOCLAJNQ-LLVKDONJSA-N -1 0 343.345 3.679 20 0 EHADRM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccoc2CC(=O)[O-])o1 ZINC000908835492 981372642 /nfs/dbraw/zinc/37/26/42/981372642.db2.gz PKRABCPESNBBPT-WFASDCNBSA-N -1 0 345.395 3.676 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)c1ccc([C@H](C)C(F)(F)F)cc1 ZINC000908854604 981377740 /nfs/dbraw/zinc/37/77/40/981377740.db2.gz KCTZKQSBHQYQJT-LBPRGKRZSA-N -1 0 345.361 3.925 20 0 EHADRM CCC[C@H](C(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)[O-])C(C)C ZINC001595536070 981379884 /nfs/dbraw/zinc/37/98/84/981379884.db2.gz NUEYCZNKLBAJDP-JKSUJKDBSA-N -1 0 331.412 3.617 20 0 EHADRM CCC[C@@H](C(=O)O[C@@H](C(=O)[O-])c1cccc(C)c1C)c1ccccn1 ZINC001595537082 981385813 /nfs/dbraw/zinc/38/58/13/981385813.db2.gz GQNXIQPVFVYUJF-SJLPKXTDSA-N -1 0 341.407 3.951 20 0 EHADRM CCC[C@@H](C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccccn1 ZINC001595537373 981386763 /nfs/dbraw/zinc/38/67/63/981386763.db2.gz KAOGKMQIKLWKIZ-GFCCVEGCSA-N -1 0 332.787 3.956 20 0 EHADRM CCC[C@H](C(=O)OCc1ccc(F)cc1C(=O)[O-])c1ccccn1 ZINC001595538462 981392114 /nfs/dbraw/zinc/39/21/14/981392114.db2.gz LVDHEMXQSCQGGO-AWEZNQCLSA-N -1 0 331.343 3.546 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 ZINC000909052336 981406831 /nfs/dbraw/zinc/40/68/31/981406831.db2.gz AKUJUNFLSPCSJA-BMIGLBTASA-N -1 0 331.334 3.726 20 0 EHADRM CCC[C@](C)(NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC001595546790 981414708 /nfs/dbraw/zinc/41/47/08/981414708.db2.gz SVAIBBKXXZSXAV-XASXRRJKSA-N -1 0 327.380 3.823 20 0 EHADRM CCC[C@](C)(NC(=O)CCCOc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001595546890 981415495 /nfs/dbraw/zinc/41/54/95/981415495.db2.gz HSONTHCJEDHSBN-FQEVSTJZSA-N -1 0 349.471 3.903 20 0 EHADRM CCc1c(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)cnn1C(CC)CC ZINC000909105983 981418138 /nfs/dbraw/zinc/41/81/38/981418138.db2.gz PJOIWVIEENEAMD-UHFFFAOYSA-N -1 0 347.390 3.896 20 0 EHADRM COc1ccc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1C1CC1 ZINC000909134472 981424430 /nfs/dbraw/zinc/42/44/30/981424430.db2.gz RARADYPLXUTBRK-UHFFFAOYSA-N -1 0 339.391 3.543 20 0 EHADRM CCC[C@@](C)(NC(=O)c1nc(-c2ccccc2)oc1C(C)C)C(=O)[O-] ZINC001595553570 981430456 /nfs/dbraw/zinc/43/04/56/981430456.db2.gz JNYQSKAPZFGVAG-LJQANCHMSA-N -1 0 344.411 3.838 20 0 EHADRM Cc1oc(C(C)C)nc1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000909225355 981437230 /nfs/dbraw/zinc/43/72/30/981437230.db2.gz MPIWREJGLIFXSW-UHFFFAOYSA-N -1 0 348.424 3.677 20 0 EHADRM CCSCc1cc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)no1 ZINC000909287623 981459832 /nfs/dbraw/zinc/45/98/32/981459832.db2.gz HUVKMILJZWDXOG-UHFFFAOYSA-N -1 0 348.424 3.542 20 0 EHADRM CC(C)Oc1ccccc1[C@@H](C)NC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000909402849 981484601 /nfs/dbraw/zinc/48/46/01/981484601.db2.gz NBUKJDPWTLKCCG-WPUWVODUSA-N -1 0 345.439 3.686 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1ccoc1CC(=O)[O-] ZINC000909412756 981487607 /nfs/dbraw/zinc/48/76/07/981487607.db2.gz KNVBLBLZYSKMSI-NWDGAFQWSA-N -1 0 349.814 3.824 20 0 EHADRM Cc1c(COc2ccccc2)cccc1NC(=O)[C@H](C)CC(=O)[O-] ZINC000909411627 981487638 /nfs/dbraw/zinc/48/76/38/981487638.db2.gz CLQDCYAGBLTFCX-CYBMUJFWSA-N -1 0 327.380 3.623 20 0 EHADRM O=C([O-])C12CCC(C(=O)NCC3(Cc4ccccc4)CCC3)(CC1)C2 ZINC000909416793 981490117 /nfs/dbraw/zinc/49/01/17/981490117.db2.gz MVLUVLIEQNWXCR-UHFFFAOYSA-N -1 0 341.451 3.551 20 0 EHADRM CCC[C@@H](C)c1cc(NC(=O)Nc2ccc(C(=O)[O-])c(OC)c2)n[nH]1 ZINC001595578435 981500184 /nfs/dbraw/zinc/50/01/84/981500184.db2.gz DRRBAENARYPWJC-SNVBAGLBSA-N -1 0 346.387 3.664 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3)o2)C1 ZINC000909478871 981504901 /nfs/dbraw/zinc/50/49/01/981504901.db2.gz PTRKJRCWBWJSKO-AWEZNQCLSA-N -1 0 327.380 3.664 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2coc(C3CCCCC3)n2)C1 ZINC000909491443 981508491 /nfs/dbraw/zinc/50/84/91/981508491.db2.gz PHOYBTYMGIHJSM-AWEZNQCLSA-N -1 0 348.443 3.685 20 0 EHADRM CC[C@@](O)(CC(=O)Nc1cc(C(=O)[O-])c(C)cc1C)c1ccccc1 ZINC000909512475 981519693 /nfs/dbraw/zinc/51/96/93/981519693.db2.gz FBPCAMAAFHTWLZ-HXUWFJFHSA-N -1 0 341.407 3.628 20 0 EHADRM CC(=O)c1cc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)ccc1C ZINC000909525832 981531701 /nfs/dbraw/zinc/53/17/01/981531701.db2.gz YHCGIUQRYZELLM-CYBMUJFWSA-N -1 0 339.391 3.713 20 0 EHADRM Cc1ccsc1CCCC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000909605163 981550407 /nfs/dbraw/zinc/55/04/07/981550407.db2.gz NCQAAJIYLAGLOT-LJQANCHMSA-N -1 0 345.464 3.538 20 0 EHADRM CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)c1cc(C(=O)[O-])no1 ZINC001595594440 981561435 /nfs/dbraw/zinc/56/14/35/981561435.db2.gz QPIHEQRTZIZPID-HNNXBMFYSA-N -1 0 344.411 3.636 20 0 EHADRM CCC[C@H](NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)c1ccccn1 ZINC001595600293 981579224 /nfs/dbraw/zinc/57/92/24/981579224.db2.gz NIPNFWXOIQARRC-AWEZNQCLSA-N -1 0 349.337 3.721 20 0 EHADRM CCC[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C)C1CCCC1 ZINC001595600458 981580366 /nfs/dbraw/zinc/58/03/66/981580366.db2.gz PZPJRWDTISPRFH-HNNXBMFYSA-N -1 0 347.459 3.931 20 0 EHADRM C[C@H](NC(=O)c1ccoc1CC(=O)[O-])C1(c2ccccc2)CCCC1 ZINC000909730303 981583374 /nfs/dbraw/zinc/58/33/74/981583374.db2.gz DIVVSVLZIYMPEI-AWEZNQCLSA-N -1 0 341.407 3.537 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC001594743350 981622408 /nfs/dbraw/zinc/62/24/08/981622408.db2.gz ORZQBAUSADFUJY-KBPBESRZSA-N -1 0 343.345 3.870 20 0 EHADRM COCCC[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000909788889 981625808 /nfs/dbraw/zinc/62/58/08/981625808.db2.gz XXYVCDVRSNWZCJ-RDTXWAMCSA-N -1 0 343.423 3.535 20 0 EHADRM CCCC1(C(=O)Nc2cccc(C(=O)[O-])c2Br)CC1 ZINC001595615447 981636034 /nfs/dbraw/zinc/63/60/34/981636034.db2.gz AGTBPABVLLWJRU-UHFFFAOYSA-N -1 0 326.190 3.666 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N[C@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC001594749102 981647631 /nfs/dbraw/zinc/64/76/31/981647631.db2.gz UMSQPGSYGSMUES-IUODEOHRSA-N -1 0 345.370 3.906 20 0 EHADRM CCCC1(CNC(=O)Nc2cc(C(=O)[O-])cnc2Cl)CCC1 ZINC001595617011 981648130 /nfs/dbraw/zinc/64/81/30/981648130.db2.gz NKGPRLSWFNUIIQ-UHFFFAOYSA-N -1 0 325.796 3.525 20 0 EHADRM CC(C)[C@H](C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1)c1cccnc1 ZINC000909834990 981653346 /nfs/dbraw/zinc/65/33/46/981653346.db2.gz PTUODWFRGOVVCX-DYVFJYSZSA-N -1 0 326.396 3.648 20 0 EHADRM CCN(C)[C@H](C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC000909841959 981663201 /nfs/dbraw/zinc/66/32/01/981663201.db2.gz VYCMPBDLILMMTR-KSSFIOAISA-N -1 0 340.423 3.506 20 0 EHADRM CCC[C@@]1(NC(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CCOC1 ZINC001595618724 981669034 /nfs/dbraw/zinc/66/90/34/981669034.db2.gz GQOWAPHCHOLJRK-QGZVFWFLSA-N -1 0 348.424 3.680 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)Nc1ccc(OCc2cccc(F)c2)cc1C ZINC001594759493 981687513 /nfs/dbraw/zinc/68/75/13/981687513.db2.gz JWVMXERGGKITTD-INIZCTEOSA-N -1 0 345.370 3.762 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC001594759670 981689171 /nfs/dbraw/zinc/68/91/71/981689171.db2.gz QDDYVYSBWCSLQK-CYBMUJFWSA-N -1 0 334.759 3.577 20 0 EHADRM CCC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595621096 981696477 /nfs/dbraw/zinc/69/64/77/981696477.db2.gz BTQXSAZPJWVSCJ-TUAOUCFPSA-N -1 0 339.461 3.560 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@@H](C)c1c(F)cccc1F)c1ccccc1 ZINC001594763586 981700076 /nfs/dbraw/zinc/70/00/76/981700076.db2.gz AFHUJBBOJPZLBN-LRDDRELGSA-N -1 0 347.361 3.965 20 0 EHADRM CCC[C@@H]1CCC[C@H]1C(=O)Oc1ccc(/C=C\C(=O)[O-])cc1OC ZINC001595621614 981701627 /nfs/dbraw/zinc/70/16/27/981701627.db2.gz LSGWQPXPJUOZSH-RQFGCTGCSA-N -1 0 332.396 3.915 20 0 EHADRM CCC[C@@H]1CCCCN1C(=O)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC001595622306 981708781 /nfs/dbraw/zinc/70/87/81/981708781.db2.gz NBWQSRFCAVVGJH-MRXNPFEDSA-N -1 0 334.416 3.718 20 0 EHADRM CCC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC001595622648 981712637 /nfs/dbraw/zinc/71/26/37/981712637.db2.gz UZOJLCVJHBEZMQ-DGCLKSJQSA-N -1 0 339.819 3.958 20 0 EHADRM CCCC1CCN(C(=O)c2ccccc2S[C@H](C)C(=O)[O-])CC1 ZINC001595623428 981721218 /nfs/dbraw/zinc/72/12/18/981721218.db2.gz NVJJFUYDIJFEOH-CYBMUJFWSA-N -1 0 335.469 3.904 20 0 EHADRM O=C([O-])C12CCC(C(=O)NC3CCC(C4CCC4)CC3)(CC1)CC2 ZINC000909992465 981732548 /nfs/dbraw/zinc/73/25/48/981732548.db2.gz VBTGCSOLRJYSJE-UHFFFAOYSA-N -1 0 333.472 3.887 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1C[C@H](c2ccc(C)cc2)C[C@H]1C ZINC000910012580 981734092 /nfs/dbraw/zinc/73/40/92/981734092.db2.gz RKCRZZSOZTWBGV-UKRRQHHQSA-N -1 0 327.380 3.613 20 0 EHADRM CC[C@H](C(=O)OCc1cc(C(=O)[O-])ccc1C)c1c(C)noc1C ZINC001594773614 981748876 /nfs/dbraw/zinc/74/88/76/981748876.db2.gz BTVKCFMWCXBPDI-HNNXBMFYSA-N -1 0 331.368 3.535 20 0 EHADRM CS[C@@H](C)CC(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC000910078828 981753490 /nfs/dbraw/zinc/75/34/90/981753490.db2.gz JYJVUNPHJQHYNA-ZETCQYMHSA-N -1 0 346.246 3.536 20 0 EHADRM CC[C@@H](C(=O)O[C@H](C(=O)[O-])C1CC1)c1cccc(C(F)(F)F)c1 ZINC001594775827 981761909 /nfs/dbraw/zinc/76/19/09/981761909.db2.gz XGNNVJJKNUGCJG-OLZOCXBDSA-N -1 0 330.302 3.605 20 0 EHADRM CCCC[C@H](C(=O)N[C@](C)(CC(=O)[O-])c1cccc(OC)c1)C(C)C ZINC001595627752 981775961 /nfs/dbraw/zinc/77/59/61/981775961.db2.gz RXJSUVBEBBQFKA-FXAWDEMLSA-N -1 0 349.471 3.964 20 0 EHADRM CC[C@@H](C(=O)Oc1c(OC)cccc1C(=O)[O-])c1ccc(OC)cc1 ZINC001594778700 981780665 /nfs/dbraw/zinc/78/06/65/981780665.db2.gz ZCECTTDZWHHISY-CQSZACIVSA-N -1 0 344.363 3.501 20 0 EHADRM CC[C@H](CCc1ccccc1)NC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000910204120 981782292 /nfs/dbraw/zinc/78/22/92/981782292.db2.gz AJNNJQPBEGOHKG-PBPGXSGUSA-N -1 0 329.440 3.549 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@H](C)OC1CCCCCC1 ZINC001594780297 981783286 /nfs/dbraw/zinc/78/32/86/981783286.db2.gz DYLYCWWHWLFNDJ-LIRRHRJNSA-N -1 0 339.476 3.606 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)C[C@@H](C)c1ccccc1C ZINC001594781191 981786315 /nfs/dbraw/zinc/78/63/15/981786315.db2.gz JLZSBCRJWAENPA-QRWLVFNGSA-N -1 0 331.456 3.981 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)CCSc1ccc(C)cc1 ZINC001594781674 981788247 /nfs/dbraw/zinc/78/82/47/981788247.db2.gz MAFDBHZHMDGODX-LJQANCHMSA-N -1 0 349.496 3.969 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@@H](F)CC1CCCCC1 ZINC001594781641 981788275 /nfs/dbraw/zinc/78/82/75/981788275.db2.gz LHNLMTAFSFAILE-MAUKXSAKSA-N -1 0 327.440 3.787 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)/C=C\c1ccc(Cl)cc1 ZINC001594783393 981794615 /nfs/dbraw/zinc/79/46/15/981794615.db2.gz WXJPCZQQJNGAES-YFWYWMRJSA-N -1 0 335.831 3.845 20 0 EHADRM CC(C)OCc1ccc(NC(=O)c2ccccc2CCC(=O)[O-])cc1 ZINC000910243252 981811332 /nfs/dbraw/zinc/81/13/32/981811332.db2.gz AWXLPPYREHAJQK-UHFFFAOYSA-N -1 0 341.407 3.881 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1oc(C(F)F)cc1C ZINC001594786518 981812998 /nfs/dbraw/zinc/81/29/98/981812998.db2.gz XFMNXDMFINGUDM-INIZCTEOSA-N -1 0 329.343 3.631 20 0 EHADRM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000910250202 981823607 /nfs/dbraw/zinc/82/36/07/981823607.db2.gz CVUCUISOTBHKAD-HQBWRIINSA-N -1 0 341.451 3.501 20 0 EHADRM CCCC[C@H](CC)CC(=O)N1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001595632431 981855865 /nfs/dbraw/zinc/85/58/65/981855865.db2.gz XACNJBFNHDMKQA-AWEZNQCLSA-N -1 0 333.428 3.712 20 0 EHADRM CCCC[C@@H](CCC)CNC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001595632649 981859049 /nfs/dbraw/zinc/85/90/49/981859049.db2.gz LWJZCAWFDSFDLW-VXGBXAGGSA-N -1 0 341.477 3.808 20 0 EHADRM C[C@H](C(=O)N[C@@](C)(CC(=O)[O-])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000910313591 981868622 /nfs/dbraw/zinc/86/86/22/981868622.db2.gz KWGQZINXAZFLLV-QFYYESIMSA-N -1 0 343.345 3.569 20 0 EHADRM CCC(C)(C)C1CCC(CC(=O)Nc2cc(C(=O)[O-])n(C)n2)CC1 ZINC001594796828 981881599 /nfs/dbraw/zinc/88/15/99/981881599.db2.gz NCKIKRJWCISTHF-UHFFFAOYSA-N -1 0 335.448 3.690 20 0 EHADRM CCC(C)(C)C1CCC2(C[C@H]2C(=O)N[C@@H](CC(F)F)C(=O)[O-])CC1 ZINC001594796916 981882542 /nfs/dbraw/zinc/88/25/42/981882542.db2.gz QXFAIDYVDWQGNT-MWDZPIOTSA-N -1 0 345.430 3.844 20 0 EHADRM CCCC[C@H](NC(=O)[C@@H](C)Oc1cc(C(C)C)ccc1C)C(=O)[O-] ZINC001595634158 981882727 /nfs/dbraw/zinc/88/27/27/981882727.db2.gz JJFWPYOMALTKNP-ZBFHGGJFSA-N -1 0 335.444 3.645 20 0 EHADRM CCC(C)(C)C1CCC(NC(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)CC1 ZINC001594797353 981887283 /nfs/dbraw/zinc/88/72/83/981887283.db2.gz ZRDYVDYMNMJDRK-URGFFDDHSA-N -1 0 338.492 3.734 20 0 EHADRM CC(C)(C)OC1CC(CC(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)C1 ZINC000910361360 981891769 /nfs/dbraw/zinc/89/17/69/981891769.db2.gz BUROLTCYPAODQC-SHARSMKWSA-N -1 0 345.439 3.575 20 0 EHADRM CCCC[C@H](NC(=O)NCc1ccc(OC)c(C(=O)[O-])c1)C1CCC1 ZINC001595635607 981906419 /nfs/dbraw/zinc/90/64/19/981906419.db2.gz CNQRRXTXBSESMC-INIZCTEOSA-N -1 0 348.443 3.552 20 0 EHADRM CCCC[C@H](NC(=O)c1ccc(OC(C)C)cc1Cl)C(=O)[O-] ZINC001595636542 981918468 /nfs/dbraw/zinc/91/84/68/981918468.db2.gz AJKQXEHIIRROIG-AWEZNQCLSA-N -1 0 327.808 3.500 20 0 EHADRM CCCC[C@H](NC(=O)c1cc(Oc2ccccc2)ccc1O)C(=O)[O-] ZINC001595636838 981922547 /nfs/dbraw/zinc/92/25/47/981922547.db2.gz UKBYDOBMDVINQU-INIZCTEOSA-N -1 0 343.379 3.558 20 0 EHADRM CCC(C)(C)OCc1ccccc1NC(=O)c1ccc(C(=O)[O-])cn1 ZINC001594814838 981941324 /nfs/dbraw/zinc/94/13/24/981941324.db2.gz YVQOMRPOCPGROT-UHFFFAOYSA-N -1 0 342.395 3.737 20 0 EHADRM C[C@H](Nc1ccc(C(F)(F)F)cn1)c1ccc(OCC(=O)[O-])cc1 ZINC000910465437 981948115 /nfs/dbraw/zinc/94/81/15/981948115.db2.gz CFAIXHWNGZINRE-JTQLQIEISA-N -1 0 340.301 3.737 20 0 EHADRM CCCC[C@H](NCc1ncc(C(=O)[O-])s1)c1ccc(OC)cc1 ZINC001595640183 981960338 /nfs/dbraw/zinc/96/03/38/981960338.db2.gz AFIMPBDBEFYXBA-AWEZNQCLSA-N -1 0 334.441 3.871 20 0 EHADRM CCCC[C@@H](OC(=O)c1cnc(-c2ccc(OC)cc2)s1)C(=O)[O-] ZINC001595644075 981975530 /nfs/dbraw/zinc/97/55/30/981975530.db2.gz AFWDXYOUIYTOQK-CYBMUJFWSA-N -1 0 349.408 3.619 20 0 EHADRM CCCC[C@H](OC(=O)c1cc2c(cccc2OC(F)F)[nH]1)C(=O)[O-] ZINC001595644288 981976091 /nfs/dbraw/zinc/97/60/91/981976091.db2.gz DETFDFXLJINFMR-ZDUSSCGKSA-N -1 0 341.310 3.570 20 0 EHADRM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])C1CCCC1)c1ccc(Cl)s1 ZINC000910566385 981992491 /nfs/dbraw/zinc/99/24/91/981992491.db2.gz YXGYHHAXEXJBBE-KOLCDFICSA-N -1 0 329.849 3.655 20 0 EHADRM CCCC[C@@H](OC(=O)c1cc(C)nc2c1cnn2[C@@H](C)CC)C(=O)[O-] ZINC001595650770 982012910 /nfs/dbraw/zinc/01/29/10/982012910.db2.gz NBOKQYMFWKOQCQ-SWLSCSKDSA-N -1 0 347.415 3.511 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000910622913 982031535 /nfs/dbraw/zinc/03/15/35/982031535.db2.gz YUZMEULFISRYNC-HUUCEWRRSA-N -1 0 343.354 3.665 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1cc(Cl)cn1CC ZINC000910623934 982032971 /nfs/dbraw/zinc/03/29/71/982032971.db2.gz JGSJAXHJFSWDQG-UHFFFAOYSA-N -1 0 336.775 3.511 20 0 EHADRM Cc1nn(-c2ccccc2)cc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000910649974 982041659 /nfs/dbraw/zinc/04/16/59/982041659.db2.gz DUMVNRGRXJCONW-UHFFFAOYSA-N -1 0 341.411 3.544 20 0 EHADRM CC(C)Cn1ncc(NC(=O)c2ccc(/C=C\C(=O)[O-])o2)c1C(C)C ZINC000910650406 982042723 /nfs/dbraw/zinc/04/27/23/982042723.db2.gz VEULMMLJCWIJFD-VURMDHGXSA-N -1 0 345.399 3.606 20 0 EHADRM CCCC[C@@H](SCC(=O)N[C@@H](C)c1ccc(C)c(C)c1)C(=O)[O-] ZINC001595655611 982046476 /nfs/dbraw/zinc/04/64/76/982046476.db2.gz NAGUGBJPCKLVQN-GOEBONIOSA-N -1 0 337.485 3.857 20 0 EHADRM CC(C)c1ncsc1C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC000910701661 982071693 /nfs/dbraw/zinc/07/16/93/982071693.db2.gz VPBANZXTBAHFOL-UHFFFAOYSA-N -1 0 339.442 3.797 20 0 EHADRM CC(C)c1sc(NC(=O)CCC(=O)c2ccccc2)nc1C(=O)[O-] ZINC000910701319 982072036 /nfs/dbraw/zinc/07/20/36/982072036.db2.gz UZQPFRYDHVDBID-UHFFFAOYSA-N -1 0 346.408 3.566 20 0 EHADRM CCCC[C@H]1CCC[C@H]1NC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001595661157 982073944 /nfs/dbraw/zinc/07/39/44/982073944.db2.gz QBEQIDFKQZJFKI-MAUKXSAKSA-N -1 0 344.455 3.811 20 0 EHADRM CC(C)c1sc(NC(=O)[C@@H]2C[C@H]2c2ccsc2)nc1C(=O)[O-] ZINC000910706223 982075799 /nfs/dbraw/zinc/07/57/99/982075799.db2.gz OYLNEQGTRABTTB-VHSXEESVSA-N -1 0 336.438 3.768 20 0 EHADRM CCCCC[C@@H](C(=O)N1CCOc2cc(C(=O)[O-])ccc2C1)C(C)C ZINC001595662412 982079128 /nfs/dbraw/zinc/07/91/28/982079128.db2.gz CQUFLBHFPYXSJZ-QGZVFWFLSA-N -1 0 347.455 3.958 20 0 EHADRM CCC(CC)[C@@H](C)C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910717639 982079977 /nfs/dbraw/zinc/07/99/77/982079977.db2.gz FAYSCSBPOFVFGS-MFKMUULPSA-N -1 0 338.473 3.886 20 0 EHADRM C[C@@H](CC(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)c1ccccc1 ZINC000910734605 982096778 /nfs/dbraw/zinc/09/67/78/982096778.db2.gz HMTHJVNNYKFHFI-JTQLQIEISA-N -1 0 330.409 3.851 20 0 EHADRM CCCCC[C@H](C)CC(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2 ZINC001595666193 982097221 /nfs/dbraw/zinc/09/72/21/982097221.db2.gz FBHJLLWPPNVIAA-NWDGAFQWSA-N -1 0 338.473 3.878 20 0 EHADRM Cc1cc(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)c(C)n1C(C)C ZINC000910735462 982097954 /nfs/dbraw/zinc/09/79/54/982097954.db2.gz KJYZYSVRLORRQN-UHFFFAOYSA-N -1 0 347.440 3.970 20 0 EHADRM CCCCC[C@H](C)CC(=O)Nc1nc(COC)c(C(=O)[O-])s1 ZINC001595666314 982099382 /nfs/dbraw/zinc/09/93/82/982099382.db2.gz IFEGQCKNSLSCKY-JTQLQIEISA-N -1 0 328.434 3.533 20 0 EHADRM O=C([O-])c1nc(NC(=O)c2ccsc2Cl)sc1C1CC1 ZINC000910742697 982107211 /nfs/dbraw/zinc/10/72/11/982107211.db2.gz SGGJWFVTCSFSDW-UHFFFAOYSA-N -1 0 328.802 3.686 20 0 EHADRM C[C@@H]1CN(C(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)C[C@H]1CC(=O)[O-] ZINC000910860042 982149518 /nfs/dbraw/zinc/14/95/18/982149518.db2.gz IXANKNMLTMCEJY-RPCUQHNUSA-N -1 0 333.472 3.552 20 0 EHADRM O=C(NCCc1c[nH]c2cc(F)ccc12)c1cc(O)ccc1Cl ZINC000339548409 1014808080 /nfs/dbraw/zinc/80/80/80/1014808080.db2.gz QHYLBXQYQYGEBP-UHFFFAOYSA-N -1 0 332.762 3.639 20 0 EHADRM CCCCC[C@@H](Nc1nn2cc(C3CCCC3)nc2s1)C(=O)[O-] ZINC001595686455 982174504 /nfs/dbraw/zinc/17/45/04/982174504.db2.gz AFOKDTQOPVETNF-GFCCVEGCSA-N -1 0 336.461 3.894 20 0 EHADRM C[C@H](C(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1)C1CC1 ZINC000910952753 982175096 /nfs/dbraw/zinc/17/50/96/982175096.db2.gz XPLHAHMCSRXMBH-LBPRGKRZSA-N -1 0 340.423 3.618 20 0 EHADRM CCCCC[C@@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)C(C)(C)C ZINC001595686538 982175247 /nfs/dbraw/zinc/17/52/47/982175247.db2.gz CSSUWIIGHZRHQO-OAHLLOKOSA-N -1 0 341.473 3.658 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)CC1CC(OC(C)(C)C)C1 ZINC000910957581 982177130 /nfs/dbraw/zinc/17/71/30/982177130.db2.gz CHHWQRYVPIHQFZ-UHFFFAOYSA-N -1 0 333.428 3.870 20 0 EHADRM CCCCCC[C@@](C)(CC)C(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001595694843 982214239 /nfs/dbraw/zinc/21/42/39/982214239.db2.gz INCJBXAQJGNSFD-IFXJQAMLSA-N -1 0 349.475 3.919 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C)[C@H]2OCCc3sccc32)cc(C(=O)[O-])c1 ZINC000911073674 982226945 /nfs/dbraw/zinc/22/69/45/982226945.db2.gz STNVEKJIGLPFPI-MEDUHNTESA-N -1 0 345.420 3.643 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1 ZINC000911087903 982230461 /nfs/dbraw/zinc/23/04/61/982230461.db2.gz UYVKTPCKYCCBMA-UHFFFAOYSA-N -1 0 338.407 3.556 20 0 EHADRM CCCCCC[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001595697166 982238784 /nfs/dbraw/zinc/23/87/84/982238784.db2.gz HBJSCXFYHLAHIV-CYBMUJFWSA-N -1 0 335.448 3.931 20 0 EHADRM CCCCCC[C@H](C)NC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001595698810 982254794 /nfs/dbraw/zinc/25/47/94/982254794.db2.gz VCWVQKJWZUXQLO-WDEREUQCSA-N -1 0 327.450 3.560 20 0 EHADRM CCCCCCN(C(=O)[C@H]1C[C@H]1C(=O)[O-])c1nc2ccccc2s1 ZINC001595709200 982290996 /nfs/dbraw/zinc/29/09/96/982290996.db2.gz VOJQYVCITPZJHF-QWHCGFSZSA-N -1 0 346.452 3.930 20 0 EHADRM CCCCCCOCC(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC001595711588 982299920 /nfs/dbraw/zinc/29/99/20/982299920.db2.gz YBKLJOXWDAYEAZ-IBGZPJMESA-N -1 0 343.423 3.679 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)Nc1cccc(N2CCCCC2)c1 ZINC000911250615 982313728 /nfs/dbraw/zinc/31/37/28/982313728.db2.gz QXAPSKXNQPQYSS-UHFFFAOYSA-N -1 0 328.368 3.529 20 0 EHADRM CCCCN(C(=O)Cc1ccc(C(=O)[O-])nc1)[C@@H](C)c1ccc(C)o1 ZINC001595732299 982368077 /nfs/dbraw/zinc/36/80/77/982368077.db2.gz UAGSXZIZHUDPJL-AWEZNQCLSA-N -1 0 344.411 3.614 20 0 EHADRM CCCCN(Cc1ccccc1F)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC001595748069 982417644 /nfs/dbraw/zinc/41/76/44/982417644.db2.gz RPUYIGTVBDJZMW-UHFFFAOYSA-N -1 0 343.398 3.895 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1cc2c(s1)-c1ccccc1CC2)C(=O)[O-] ZINC001594912145 982420563 /nfs/dbraw/zinc/42/05/63/982420563.db2.gz NPEDZYXSLXALNA-ZBEGNZNMSA-N -1 0 343.448 3.743 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1)C(=O)[O-] ZINC001594912614 982424023 /nfs/dbraw/zinc/42/40/23/982424023.db2.gz RKVUAROVRLPLPQ-OPQQBVKSSA-N -1 0 331.334 3.582 20 0 EHADRM CCCCN1C(=O)N[C@@H](c2ccc(C(F)F)cc2)C(C(=O)[O-])=C1C ZINC001595749575 982425850 /nfs/dbraw/zinc/42/58/50/982425850.db2.gz MVJJZJSDSHOLPX-AWEZNQCLSA-N -1 0 338.354 3.849 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC001594913083 982427910 /nfs/dbraw/zinc/42/79/10/982427910.db2.gz XLOGAHBXBCXKCE-RDDDGLTNSA-N -1 0 337.725 3.588 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(OC(C)C)cc2Cl)oc1C(=O)[O-] ZINC000911469493 982449172 /nfs/dbraw/zinc/44/91/72/982449172.db2.gz RGOANQWPYCIOTG-UHFFFAOYSA-N -1 0 337.759 3.979 20 0 EHADRM CCCCNc1nnc(SCc2cc(C(=O)[O-])ccc2F)s1 ZINC001595763646 982473967 /nfs/dbraw/zinc/47/39/67/982473967.db2.gz OZWFHMJMMJBZTA-UHFFFAOYSA-N -1 0 341.433 3.880 20 0 EHADRM Cc1ccc(CC2CCN(C(=O)CCCCC(=O)[O-])CC2)cc1C ZINC000911555974 982499417 /nfs/dbraw/zinc/49/94/17/982499417.db2.gz PWQHLVYEQMCRHR-UHFFFAOYSA-N -1 0 331.456 3.730 20 0 EHADRM CCCC(C)(C)C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000911598087 982529722 /nfs/dbraw/zinc/52/97/22/982529722.db2.gz IBFLYCQPDUADRH-UHFFFAOYSA-N -1 0 332.444 3.614 20 0 EHADRM CCCCOc1ccc(NC(=O)NC2CC(CC(=O)[O-])C2)c(C)c1 ZINC001595775681 982539831 /nfs/dbraw/zinc/53/98/31/982539831.db2.gz QUQWMYJQQABIHY-UHFFFAOYSA-N -1 0 334.416 3.549 20 0 EHADRM CC[C@@H](C)[C@@H](Sc1nnc2n1c1ccccc1n2C(C)C)C(=O)[O-] ZINC001594928923 982544150 /nfs/dbraw/zinc/54/41/50/982544150.db2.gz PLFVSNFYHGWJGM-BXUZGUMPSA-N -1 0 346.456 3.856 20 0 EHADRM CCCCOc1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2F)cc1 ZINC001595776609 982544558 /nfs/dbraw/zinc/54/45/58/982544558.db2.gz HZOVUTDZDFGVTN-UHFFFAOYSA-N -1 0 345.370 3.633 20 0 EHADRM CCCCS[C@@H](C)C(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC001595785879 982573428 /nfs/dbraw/zinc/57/34/28/982573428.db2.gz KJHBLRDAUNSDEL-BPUTZDHNSA-N -1 0 335.469 3.725 20 0 EHADRM CCCCS[C@@H](C)C(=O)N1CCCc2ccc(C)c(C(=O)[O-])c21 ZINC001595786117 982575035 /nfs/dbraw/zinc/57/50/35/982575035.db2.gz OKJDMKHHWQUFRM-ZDUSSCGKSA-N -1 0 335.469 3.894 20 0 EHADRM CCCCC1CCC(C(=O)N[C@H](CC(=O)[O-])c2ccncc2)CC1 ZINC000911658289 982587070 /nfs/dbraw/zinc/58/70/70/982587070.db2.gz KCLDHPKZZZJFHA-BDVYOWHSSA-N -1 0 332.444 3.710 20 0 EHADRM CC(C)[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1ccncc1)c1ccccc1 ZINC000911659198 982588959 /nfs/dbraw/zinc/58/89/59/982588959.db2.gz XSCADZYHNWALJV-QZTJIDSGSA-N -1 0 340.423 3.544 20 0 EHADRM CCCCc1ccc(C(=O)Nc2nc(COC)c(C(=O)[O-])s2)cc1 ZINC001595794005 982597072 /nfs/dbraw/zinc/59/70/72/982597072.db2.gz UGDGOTKCSAMPRI-UHFFFAOYSA-N -1 0 348.424 3.583 20 0 EHADRM C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000911675284 982599360 /nfs/dbraw/zinc/59/93/60/982599360.db2.gz AUAQOAVGLTXWJK-LDYMZIIASA-N -1 0 349.736 3.841 20 0 EHADRM CCCCc1ccc(N(C)C(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1 ZINC001595796539 982602583 /nfs/dbraw/zinc/60/25/83/982602583.db2.gz NTBBDNDOCTWAEV-UHFFFAOYSA-N -1 0 329.400 3.734 20 0 EHADRM CCCN(C(=O)c1ccc([C@@H](C)C(F)(F)F)cc1)[C@H](C)C(=O)[O-] ZINC000911706014 982606253 /nfs/dbraw/zinc/60/62/53/982606253.db2.gz FSCCKQNZNWLGMU-GHMZBOCLSA-N -1 0 331.334 3.678 20 0 EHADRM CCCN(C(=O)c1ccc(CCC(F)(F)F)cc1)[C@@H](C)C(=O)[O-] ZINC000911709231 982607295 /nfs/dbraw/zinc/60/72/95/982607295.db2.gz SYDBIKGMBXGHNR-NSHDSACASA-N -1 0 331.334 3.507 20 0 EHADRM CC(C)Oc1c(NC(=O)CCCC2CCOCC2)cccc1C(=O)[O-] ZINC000911733576 982617740 /nfs/dbraw/zinc/61/77/40/982617740.db2.gz DRKLVUCCTFQACB-UHFFFAOYSA-N -1 0 349.427 3.707 20 0 EHADRM CC(C)Oc1c(NC(=O)c2cccn2C(C)C)cccc1C(=O)[O-] ZINC000911737713 982619815 /nfs/dbraw/zinc/61/98/15/982619815.db2.gz HJJWUVHDIJDKTE-UHFFFAOYSA-N -1 0 330.384 3.807 20 0 EHADRM CC(C)Oc1c(NC(=O)CO[C@@H]2CCC[C@@H](C)C2)cccc1C(=O)[O-] ZINC000911738592 982621393 /nfs/dbraw/zinc/62/13/93/982621393.db2.gz FGRNOVCYUYYLIJ-ZIAGYGMSSA-N -1 0 349.427 3.706 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)c1c(C)[nH]c2ccc(Cl)cc21)C(=O)[O-] ZINC001594944628 982627759 /nfs/dbraw/zinc/62/77/59/982627759.db2.gz GQGWOXZTXPBXNP-YMTOWFKASA-N -1 0 336.819 3.749 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)c1cc(Cl)cc2ccc(C)nc21)C(=O)[O-] ZINC001594946076 982638138 /nfs/dbraw/zinc/63/81/38/982638138.db2.gz WOSXDWIIBWUOIB-BONVTDFDSA-N -1 0 348.830 3.816 20 0 EHADRM CCCN(C(=O)C(F)(F)c1ccc(C(C)(C)C)cc1)[C@@H](C)C(=O)[O-] ZINC001595813507 982655414 /nfs/dbraw/zinc/65/54/14/982655414.db2.gz KESJYCHLZOCSJX-LBPRGKRZSA-N -1 0 341.398 3.788 20 0 EHADRM Cc1noc2ncc(C(=O)Nc3cc4ccccc4cc3C(=O)[O-])cc12 ZINC000915216177 982665940 /nfs/dbraw/zinc/66/59/40/982665940.db2.gz TVQRWNPAUISGLB-UHFFFAOYSA-N -1 0 347.330 3.635 20 0 EHADRM CCCN(C(=O)COc1ccc(Cl)c2ccccc12)[C@H](C)C(=O)[O-] ZINC001595816281 982671075 /nfs/dbraw/zinc/67/10/75/982671075.db2.gz IWWTZXCMCWMRGF-GFCCVEGCSA-N -1 0 349.814 3.584 20 0 EHADRM CC[C@H]1CCc2nc(NC(=O)c3ccc(C(=O)[O-])s3)sc2C1 ZINC000916508539 982676545 /nfs/dbraw/zinc/67/65/45/982676545.db2.gz ZYJPMRQCOHMXPO-QMMMGPOBSA-N -1 0 336.438 3.670 20 0 EHADRM CC[C@H](C)CC[C@H](O)CC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001594957163 982691803 /nfs/dbraw/zinc/69/18/03/982691803.db2.gz KHUANNSDGRAMEZ-HZMBPMFUSA-N -1 0 327.808 3.554 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C2(CCc3ccccc3)CC2)C1 ZINC000923068339 982705116 /nfs/dbraw/zinc/70/51/16/982705116.db2.gz FLMCUQNHMXWBOV-QGZVFWFLSA-N -1 0 343.467 3.749 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)CCCc1ccc(CC(C)C)cc1 ZINC001594971492 982740782 /nfs/dbraw/zinc/74/07/82/982740782.db2.gz IOITYXKYDIMYCI-MRXNPFEDSA-N -1 0 333.472 3.920 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)NCCc2ccccc2C(=O)[O-])cc1 ZINC000923121689 982741444 /nfs/dbraw/zinc/74/14/44/982741444.db2.gz GNJUTYXZDAQASD-UHFFFAOYSA-N -1 0 341.407 3.535 20 0 EHADRM CCCN(C)c1ccc(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC001595840067 982758761 /nfs/dbraw/zinc/75/87/61/982758761.db2.gz PTDXGMZKUWTVGX-LBPRGKRZSA-N -1 0 331.368 3.742 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000923150963 982762005 /nfs/dbraw/zinc/76/20/05/982762005.db2.gz KTQKBLXNOWKNHA-DNVCBOLYSA-N -1 0 337.419 3.608 20 0 EHADRM CC[C@H](C)N1C(=O)N[C@H](c2cc(C)c(OC)c(C)c2)C(C(=O)[O-])=C1C ZINC001594985205 982797356 /nfs/dbraw/zinc/79/73/56/982797356.db2.gz JSXIZBFDIUGZSV-BLLLJJGKSA-N -1 0 346.427 3.535 20 0 EHADRM CCCN(CC1CC1)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001595870535 982855152 /nfs/dbraw/zinc/85/51/52/982855152.db2.gz OPEUSAXVBRRZFY-UHFFFAOYSA-N -1 0 328.771 3.831 20 0 EHADRM CC[C@@H](C)Oc1ccc(-c2noc(-c3cc(C(=O)[O-])ccn3)n2)cc1 ZINC001594999655 982909342 /nfs/dbraw/zinc/90/93/42/982909342.db2.gz NBUHBLDUGVGREF-LLVKDONJSA-N -1 0 339.351 3.674 20 0 EHADRM CC[C@H](C)Oc1cc(NC[C@H](CC2CCCC2)C(=O)[O-])nc(C)n1 ZINC001595000012 982910892 /nfs/dbraw/zinc/91/08/92/982910892.db2.gz RNUCRZSRMLFITR-WFASDCNBSA-N -1 0 335.448 3.655 20 0 EHADRM CC[C@@H](C)Oc1cc(Nc2ccc(CCC(=O)[O-])cc2)nc(C)n1 ZINC001594999977 982911256 /nfs/dbraw/zinc/91/12/56/982911256.db2.gz QWOHKKCKCFIVRB-GFCCVEGCSA-N -1 0 329.400 3.723 20 0 EHADRM CC[C@@H](C)Oc1cc(Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)nc(C)n1 ZINC001595000855 982914265 /nfs/dbraw/zinc/91/42/65/982914265.db2.gz ZKGCKPPXXSOFEE-CHWSQXEVSA-N -1 0 343.427 3.969 20 0 EHADRM CC[C@H](C)Sc1ccc(NC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c(C)c1 ZINC001595004676 982918412 /nfs/dbraw/zinc/91/84/12/982918412.db2.gz KBZLULMXCBSRDY-YYWXWVFPSA-N -1 0 348.468 3.680 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C/C(=O)N(CC(=O)[O-])C1CCCC1 ZINC001595004705 982918434 /nfs/dbraw/zinc/91/84/34/982918434.db2.gz LDELFKDYSOHREJ-RDRICISKSA-N -1 0 345.439 3.733 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2CSc3ccccc32)cc1 ZINC001116479178 982930163 /nfs/dbraw/zinc/93/01/63/982930163.db2.gz MQKXJHOGYMQXGE-CVEARBPZSA-N -1 0 341.432 3.517 20 0 EHADRM CCCOc1ccc(NCc2cc(C(=O)[O-])n(C)c2)cc1OCCC ZINC001595966403 983172808 /nfs/dbraw/zinc/17/28/08/983172808.db2.gz KDJDISIECRSWQJ-UHFFFAOYSA-N -1 0 346.427 3.913 20 0 EHADRM CCC[C@H](NC(=O)[C@@H]1CCC(C)(C)C[C@H]1c1ccccc1)C(=O)[O-] ZINC001596015663 983277779 /nfs/dbraw/zinc/27/77/79/983277779.db2.gz SQZPPSARPTYDDC-IKGGRYGDSA-N -1 0 331.456 3.966 20 0 EHADRM CCCc1c(C(=O)N2CCc3cc(C)c(C)cc32)[nH]c(C)c1C(=O)[O-] ZINC001596032351 983309732 /nfs/dbraw/zinc/30/97/32/983309732.db2.gz UFHOSBBMFJHUNI-UHFFFAOYSA-N -1 0 340.423 3.794 20 0 EHADRM CCCc1cc(C(=O)N2c3cccc(C)c3C[C@H]2C(=O)[O-])sc1C ZINC001596053312 983354713 /nfs/dbraw/zinc/35/47/13/983354713.db2.gz PSMRWXFFWAJREL-INIZCTEOSA-N -1 0 343.448 3.974 20 0 EHADRM CCN(C(=O)CCCc1ccc2c(c1)CCCC2)C(C)(C)C(=O)[O-] ZINC001596137753 983487391 /nfs/dbraw/zinc/48/73/91/983487391.db2.gz RRCSUKAKUKRPMI-UHFFFAOYSA-N -1 0 331.456 3.600 20 0 EHADRM CCN(C(=O)CCc1ccc(-c2ccccc2F)o1)C(C)(C)C(=O)[O-] ZINC001596137719 983487470 /nfs/dbraw/zinc/48/74/70/983487470.db2.gz ROWOKJJKOPZZRQ-UHFFFAOYSA-N -1 0 347.386 3.730 20 0 EHADRM CCN(C(=O)COc1ccc(C(=O)[O-])cc1)[C@H](C)c1ccc(F)cc1 ZINC001596145596 983501553 /nfs/dbraw/zinc/50/15/53/983501553.db2.gz NMHMWFFPEYJUSK-CYBMUJFWSA-N -1 0 345.370 3.512 20 0 EHADRM CCN(C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)[C@H]1CCCOC1 ZINC001596158112 983519958 /nfs/dbraw/zinc/51/99/58/983519958.db2.gz LOQORPSCRGWWDR-ZDUSSCGKSA-N -1 0 348.424 3.632 20 0 EHADRM CCN(CC(C)(C)C)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC001596228782 983620529 /nfs/dbraw/zinc/62/05/29/983620529.db2.gz SYVUJFIIUWGBMC-UHFFFAOYSA-N -1 0 342.823 3.703 20 0 EHADRM CCN(CC)C(=O)c1ccc(NCc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC001596251944 983656733 /nfs/dbraw/zinc/65/67/33/983656733.db2.gz SLJHGBZBGVFGCU-UHFFFAOYSA-N -1 0 340.423 3.787 20 0 EHADRM CCN(CC1CCC1)C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001596294342 983715649 /nfs/dbraw/zinc/71/56/49/983715649.db2.gz SUQPXJUTZFYEOU-UHFFFAOYSA-N -1 0 328.771 3.831 20 0 EHADRM CCN(Cc1cc(C(=O)[O-])ccc1F)Cc1ccc(OC)cc1OC ZINC001596354314 983816847 /nfs/dbraw/zinc/81/68/47/983816847.db2.gz KARJXTOOPMVCHI-UHFFFAOYSA-N -1 0 347.386 3.563 20 0 EHADRM CCN(Cc1ccc(C)cc1)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001596359844 983836073 /nfs/dbraw/zinc/83/60/73/983836073.db2.gz PDDNDENBDZMKFG-UHFFFAOYSA-N -1 0 332.444 3.562 20 0 EHADRM CCN(Cc1ccc(Cl)cc1)C(=O)c1cccc(CC(=O)[O-])c1 ZINC001596359974 983836916 /nfs/dbraw/zinc/83/69/16/983836916.db2.gz UZDLDLJZJGDJBO-UHFFFAOYSA-N -1 0 331.799 3.629 20 0 EHADRM CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001596364953 983856368 /nfs/dbraw/zinc/85/63/68/983856368.db2.gz QECOODJRPDSWIV-UHFFFAOYSA-N -1 0 342.395 3.756 20 0 EHADRM CCN(c1ccc(NC(=O)Cc2ccc(C(=O)[O-])cc2)cc1)C(C)C ZINC001596385526 983911782 /nfs/dbraw/zinc/91/17/82/983911782.db2.gz GNPNTZOPIWPFGB-UHFFFAOYSA-N -1 0 340.423 3.801 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1ccc(-c2ccc(C=O)cc2)cc1 ZINC001588764256 984121708 /nfs/dbraw/zinc/12/17/08/984121708.db2.gz UYRVTTAVTRRRGD-UHFFFAOYSA-N -1 0 339.391 3.539 20 0 EHADRM CCNC(=O)Nc1ccc(C)c(NCc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001596473500 984201559 /nfs/dbraw/zinc/20/15/59/984201559.db2.gz UXFAZNAANCETCS-UHFFFAOYSA-N -1 0 345.374 3.586 20 0 EHADRM CCNc1ccc(Cl)cc1C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001596501537 984256259 /nfs/dbraw/zinc/25/62/59/984256259.db2.gz ZDPZPTAZAZJXMC-UHFFFAOYSA-N -1 0 338.835 3.537 20 0 EHADRM CCOC(=O)[C@H](CCCC(C)C)NCc1ccc(C)c(C(=O)[O-])c1 ZINC001596526940 984338392 /nfs/dbraw/zinc/33/83/92/984338392.db2.gz BMFWHWVRBQLKIH-KRWDZBQOSA-N -1 0 335.444 3.541 20 0 EHADRM CCOC(=O)/C=C\c1ccc(NCc2ccc(C(=O)[O-])cc2F)cc1 ZINC001596586653 984516368 /nfs/dbraw/zinc/51/63/68/984516368.db2.gz HCSLSNIGBRQZTQ-YHYXMXQVSA-N -1 0 343.354 3.712 20 0 EHADRM C=COc1ccc(NC(=O)Nc2cc(C(=O)[O-])cnc2Cl)cc1 ZINC001588913642 984555629 /nfs/dbraw/zinc/55/56/29/984555629.db2.gz HPSROXMMZAOCER-UHFFFAOYSA-N -1 0 333.731 3.600 20 0 EHADRM C/C(=C\C(=O)N(CC(=O)[O-])CC(C)C)c1ccc(C(F)(F)F)cc1 ZINC001588932102 984605275 /nfs/dbraw/zinc/60/52/75/984605275.db2.gz AUHIBPHEXPGJCH-XYOKQWHBSA-N -1 0 343.345 3.678 20 0 EHADRM C/C(=C/C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21)c1ccccc1C ZINC001588937482 984616361 /nfs/dbraw/zinc/61/63/61/984616361.db2.gz IZIFTMJJZZQYGZ-FBZAFJBHSA-N -1 0 341.451 3.890 20 0 EHADRM C/C(=C/C(=O)N1CCCc2ccc(C)c(C(=O)[O-])c21)c1ccco1 ZINC001588937698 984618325 /nfs/dbraw/zinc/61/83/25/984618325.db2.gz PHGHSHKELSAJSF-QBFSEMIESA-N -1 0 325.364 3.669 20 0 EHADRM C/C(=C\C(=O)NC[C@H](C(=O)[O-])C1CCCCCC1)c1ccccc1 ZINC001588938330 984620926 /nfs/dbraw/zinc/62/09/26/984620926.db2.gz BZHYQUUAUCAZEU-DUVHGLKDSA-N -1 0 329.440 3.877 20 0 EHADRM C/C(=C\C(=O)NC[C@H](CC1CCCC1)C(=O)[O-])c1ccc(F)cc1 ZINC001588939642 984630874 /nfs/dbraw/zinc/63/08/74/984630874.db2.gz ZKIDAFUFAHVFHK-ISBHARSQSA-N -1 0 333.403 3.626 20 0 EHADRM C/C(=C/C(=O)N[C@@H](C(=O)[O-])c1cc(C)cc(C)c1)c1ccc(F)cc1 ZINC001588939798 984631332 /nfs/dbraw/zinc/63/13/32/984631332.db2.gz SUPGVEPSUNNBME-KWRJMZDGSA-N -1 0 341.382 3.788 20 0 EHADRM C/C(=C/C(=O)NCc1cc(C)c(C(=O)[O-])o1)c1ccccc1Cl ZINC001588942272 984635044 /nfs/dbraw/zinc/63/50/44/984635044.db2.gz DWJZUWATGYVMQG-NTMALXAHSA-N -1 0 333.771 3.659 20 0 EHADRM C/C(=C/C(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1)C(C)(C)C ZINC001588944122 984644942 /nfs/dbraw/zinc/64/49/42/984644942.db2.gz POYOFAGWCHRUPO-JYRVWZFOSA-N -1 0 341.411 3.810 20 0 EHADRM C[C@H](CC(=O)[O-])OC(=O)CCCOc1ccc(Cl)cc1Cl ZINC001599889202 984674581 /nfs/dbraw/zinc/67/45/81/984674581.db2.gz CSRHPXHDGVPEMY-SECBINFHSA-N -1 0 335.183 3.559 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001599890832 984691935 /nfs/dbraw/zinc/69/19/35/984691935.db2.gz IEIUUCGWTRCQIL-LLVKDONJSA-N -1 0 329.400 3.806 20 0 EHADRM C[C@H](OC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1cc(Cl)ccc1F ZINC001599904036 984899846 /nfs/dbraw/zinc/89/98/46/984899846.db2.gz YOSLWTIFNUJUPK-HBNTYKKESA-N -1 0 328.767 3.974 20 0 EHADRM C[C@H]1CC[C@@](C)(C(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)C1(C)C ZINC001599906607 984930622 /nfs/dbraw/zinc/93/06/22/984930622.db2.gz FZSNQZDLBSUMJS-ONGXBYRLSA-N -1 0 343.467 3.704 20 0 EHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001588999107 984936664 /nfs/dbraw/zinc/93/66/64/984936664.db2.gz RZENZOZMFJPHIZ-ATWWEQPWSA-N -1 0 333.815 3.599 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-] ZINC001588999340 984937947 /nfs/dbraw/zinc/93/79/47/984937947.db2.gz SNBNXFPURSXKDB-UVTDQMKNSA-N -1 0 335.419 3.824 20 0 EHADRM C/C(=C\c1ccccc1Cl)C(=O)N[C@@H](CC(=O)[O-])C1CCCC1 ZINC001589003479 984953089 /nfs/dbraw/zinc/95/30/89/984953089.db2.gz BBSLNVGYVBKTSI-TYZQSYOASA-N -1 0 335.831 3.893 20 0 EHADRM C[C@H]1CC[C@H](C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)CC1 ZINC001599908522 984953734 /nfs/dbraw/zinc/95/37/34/984953734.db2.gz BTVODJGUEUPCHN-HDJSIYSDSA-N -1 0 330.428 3.750 20 0 EHADRM CCOC(=O)c1ccc(CNc2ccc3sc(C(=O)[O-])cc3c2)o1 ZINC001596719181 984956967 /nfs/dbraw/zinc/95/69/67/984956967.db2.gz JKFMQUOQQBXORA-UHFFFAOYSA-N -1 0 345.376 3.981 20 0 EHADRM CC(=O)CCC(C)(C)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001589034803 985074572 /nfs/dbraw/zinc/07/45/72/985074572.db2.gz JMXXMEUBIATAEJ-UHFFFAOYSA-N -1 0 327.380 3.872 20 0 EHADRM CCO[C@H](C(=O)Nc1ccc(SC)c(C(=O)[O-])c1)c1ccccc1 ZINC001596766381 985170928 /nfs/dbraw/zinc/17/09/28/985170928.db2.gz AVVONTTYXLDDHN-INIZCTEOSA-N -1 0 345.420 3.823 20 0 EHADRM CCO[C@@H](C(=O)Nc1cccc(C(=O)[O-])c1Cl)C1CCCC1 ZINC001596766678 985173899 /nfs/dbraw/zinc/17/38/99/985173899.db2.gz DTDRQZRYQKFIBA-CQSZACIVSA-N -1 0 325.792 3.572 20 0 EHADRM CCO[C@@H](C(=O)OCc1cccc(C(=O)[O-])c1Cl)c1ccccc1 ZINC001596766922 985175754 /nfs/dbraw/zinc/17/57/54/985175754.db2.gz SIFUCPMUHYYTRE-MRXNPFEDSA-N -1 0 348.782 3.859 20 0 EHADRM CCO[C@H](C)c1ncc(C(=O)Nc2ccc(C)c(C)c2C(=O)[O-])s1 ZINC001596775756 985208341 /nfs/dbraw/zinc/20/83/41/985208341.db2.gz DSLNARNHHVXDOQ-LLVKDONJSA-N -1 0 348.424 3.808 20 0 EHADRM CCO[C@@H](C)c1nc(COC(=O)c2cc(C)cc(C(=O)[O-])c2)cs1 ZINC001596775767 985209195 /nfs/dbraw/zinc/20/91/95/985209195.db2.gz FBIOHQJFKIBJDK-NSHDSACASA-N -1 0 349.408 3.604 20 0 EHADRM CCOC1CC(CC(=O)OCc2c3ccccc3sc2C(=O)[O-])C1 ZINC001596803358 985313694 /nfs/dbraw/zinc/31/36/94/985313694.db2.gz OOWZJPMEOSEKDI-UHFFFAOYSA-N -1 0 348.420 3.848 20 0 EHADRM CCO[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(C(=O)[O-])cc2CC)C1(C)C ZINC001596809092 985340688 /nfs/dbraw/zinc/34/06/88/985340688.db2.gz HMTBXCSSDBASSG-CVEARBPZSA-N -1 0 348.443 3.615 20 0 EHADRM C[Si](C)(C)CCCC(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC001599939168 985433093 /nfs/dbraw/zinc/43/30/93/985433093.db2.gz CRYPGQPDOTVRFM-UHFFFAOYSA-N -1 0 326.494 3.776 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cc(C(=O)[O-])ccc2F)[C@H]1c1ccccc1 ZINC001594479154 985511748 /nfs/dbraw/zinc/51/17/48/985511748.db2.gz UCUKIAXOVVSJNF-BDJLRTHQSA-N -1 0 328.343 3.749 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cnc(C(=O)[O-])c(Cl)c2)[C@H]1c1ccccc1 ZINC001594481497 985528467 /nfs/dbraw/zinc/52/84/67/985528467.db2.gz CFBKQNIDDFUAAD-ZUZCIYMTSA-N -1 0 345.786 3.658 20 0 EHADRM CC(=O)Nc1cc(N[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])ccc1C ZINC001589182202 985558132 /nfs/dbraw/zinc/55/81/32/985558132.db2.gz JTDCFGRPAYRDIR-KRWDZBQOSA-N -1 0 346.814 3.715 20 0 EHADRM Cc1[nH]c(C(=O)[C@@H](C)Sc2ccc3c(c2)CCO3)c(C)c1C(=O)[O-] ZINC001599948983 985575475 /nfs/dbraw/zinc/57/54/75/985575475.db2.gz UTXHRPDLEYSLMR-LLVKDONJSA-N -1 0 345.420 3.628 20 0 EHADRM Cc1[nH]c(C(=O)Nc2cccc3c2ccn3C(F)F)c(C)c1C(=O)[O-] ZINC001599954382 985661876 /nfs/dbraw/zinc/66/18/76/985661876.db2.gz CFDXMSPHICQHRL-UHFFFAOYSA-N -1 0 347.321 3.932 20 0 EHADRM CC(=O)Nc1cccc(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])c1 ZINC001589204795 985664757 /nfs/dbraw/zinc/66/47/57/985664757.db2.gz DTEHXSGYKYITCA-UHFFFAOYSA-N -1 0 340.379 3.719 20 0 EHADRM C[C@@H]1CN(CC(=O)c2c[nH]c3ccc(C(=O)[O-])cc23)[C@@H]1c1ccccc1 ZINC001594507168 985724423 /nfs/dbraw/zinc/72/44/23/985724423.db2.gz LMTRANZDWXNDET-XCLFUZPHSA-N -1 0 348.402 3.742 20 0 EHADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1CC2(CCCC2)c2ccccc21 ZINC001599958461 985729959 /nfs/dbraw/zinc/72/99/59/985729959.db2.gz CLALHLAZGWGNQW-UHFFFAOYSA-N -1 0 338.407 3.536 20 0 EHADRM CC(=O)c1c(C)cc(C)c(CNC(C)(C)c2cc(C(=O)[O-])on2)c1C ZINC001589253869 985880984 /nfs/dbraw/zinc/88/09/84/985880984.db2.gz BIHLYGQVAVVGIT-UHFFFAOYSA-N -1 0 344.411 3.526 20 0 EHADRM CC(=O)c1cc(C(=O)N2CCCc3ccc(C)c(C(=O)[O-])c32)cs1 ZINC001589254890 985887913 /nfs/dbraw/zinc/88/79/13/985887913.db2.gz DOOSPIVRCIFZAR-UHFFFAOYSA-N -1 0 343.404 3.550 20 0 EHADRM Cc1[nH]c2ccccc2c1C(=O)CSCc1cccc(C(=O)[O-])n1 ZINC001599966212 985910240 /nfs/dbraw/zinc/91/02/40/985910240.db2.gz KBCUQEUYBPLIMT-UHFFFAOYSA-N -1 0 340.404 3.686 20 0 EHADRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)[C@H]1CC[C@H](C)C1 ZINC001599971667 986016527 /nfs/dbraw/zinc/01/65/27/986016527.db2.gz ZYROBCZAOLSHJX-WPRPVWTQSA-N -1 0 340.217 3.830 20 0 EHADRM CC(=O)c1ccc(NCc2cc(C(=O)[O-])co2)cc1C(F)(F)F ZINC001589289836 986022915 /nfs/dbraw/zinc/02/29/15/986022915.db2.gz CXDSHSIUTMZQMW-UHFFFAOYSA-N -1 0 327.258 3.811 20 0 EHADRM CC(=O)c1ccccc1OCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001589316669 986113056 /nfs/dbraw/zinc/11/30/56/986113056.db2.gz WXZLXCZZUDJIEA-UHFFFAOYSA-N -1 0 337.331 3.821 20 0 EHADRM CC(=O)c1csc(C(=O)N2CCCc3c(C(=O)[O-])ccc(C)c32)c1 ZINC001589322910 986139043 /nfs/dbraw/zinc/13/90/43/986139043.db2.gz TYUVCWPFEZPJSZ-UHFFFAOYSA-N -1 0 343.404 3.550 20 0 EHADRM Cc1c(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)ccn1C(C)C ZINC001599979755 986147212 /nfs/dbraw/zinc/14/72/12/986147212.db2.gz HCKRCQTYJSVPAA-QGZVFWFLSA-N -1 0 342.439 3.583 20 0 EHADRM C[C@H](C(=O)N1C[C@@H](C(=O)[O-])Cc2ccccc21)c1cc2ccccc2o1 ZINC001589342381 986268107 /nfs/dbraw/zinc/26/81/07/986268107.db2.gz KYNUZOZMCXNJKH-BBRMVZONSA-N -1 0 349.386 3.826 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1[C@H](c2ccccc2)[C@@H]1C ZINC001597008755 986337053 /nfs/dbraw/zinc/33/70/53/986337053.db2.gz DDGFHWMQSSBYNB-UYHISHBKSA-N -1 0 339.391 3.772 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)C(C1CCC1)C1CCC1 ZINC001597009861 986346583 /nfs/dbraw/zinc/34/65/83/986346583.db2.gz RWIWFDOBWVRYKF-UHFFFAOYSA-N -1 0 331.412 3.938 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1CCCC[C@H]1C1CC1 ZINC001597010316 986350157 /nfs/dbraw/zinc/35/01/57/986350157.db2.gz YIPDXYGDFOGQBJ-GJZGRUSLSA-N -1 0 331.412 3.938 20 0 EHADRM C[C@H](C(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])c1c(Cl)cccc1Cl ZINC001589358998 986352236 /nfs/dbraw/zinc/35/22/36/986352236.db2.gz JLVZBFAZYXZCGR-IEVXNVSRSA-N -1 0 342.222 3.563 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1C[C@H](C)CCC[C@@H]1C ZINC001597015116 986364316 /nfs/dbraw/zinc/36/43/16/986364316.db2.gz MBXRCKYCQWUHDC-OLZOCXBDSA-N -1 0 334.416 3.826 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N(C)c1ccc(C)cc1 ZINC001597015382 986365819 /nfs/dbraw/zinc/36/58/19/986365819.db2.gz OSMKTVWIAYEDQZ-UHFFFAOYSA-N -1 0 328.368 3.760 20 0 EHADRM CCOc1cc(NC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)ccc1C ZINC001597042422 986493053 /nfs/dbraw/zinc/49/30/53/986493053.db2.gz PNIMUMXITVKZDX-UZLBHIALSA-N -1 0 339.391 3.591 20 0 EHADRM CC(C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-])=C1CCC1 ZINC001589405047 986585995 /nfs/dbraw/zinc/58/59/95/986585995.db2.gz VFZZTIPQODILCX-SFHVURJKSA-N -1 0 337.419 3.700 20 0 EHADRM CCOc1ccc([C@H](C)NC(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC001597073794 986596059 /nfs/dbraw/zinc/59/60/59/986596059.db2.gz CLIZMDRRSLXTET-ZDUSSCGKSA-N -1 0 342.395 3.595 20 0 EHADRM CCOc1ccc(C(=O)O[C@@H](C)c2cc(C(=O)[O-])co2)cc1OCC ZINC001597076055 986607393 /nfs/dbraw/zinc/60/73/93/986607393.db2.gz JREOWZUPQGLCHJ-NSHDSACASA-N -1 0 348.351 3.693 20 0 EHADRM CC(C)CCOc1ccccc1NC(=O)c1cc(F)cc2n[nH]nc21 ZINC000655228701 1015242161 /nfs/dbraw/zinc/24/21/61/1015242161.db2.gz VCWHBHIDXFHIQM-UHFFFAOYSA-N -1 0 342.374 3.774 20 0 EHADRM CCOc1ccc(CCN(C)c2ncc(C(=O)[O-])cc2Cl)cc1 ZINC001597095270 986687676 /nfs/dbraw/zinc/68/76/76/986687676.db2.gz WKBFQZXXFMGYHK-UHFFFAOYSA-N -1 0 334.803 3.511 20 0 EHADRM C[C@@H]1N(C(=O)c2ccc(C(=O)[O-])c(F)c2)c2ccccc2C1(C)C ZINC001594626234 986693899 /nfs/dbraw/zinc/69/38/99/986693899.db2.gz MOETZAKWXBNZTO-NSHDSACASA-N -1 0 327.355 3.850 20 0 EHADRM C[C@@H](C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC001589429779 986713031 /nfs/dbraw/zinc/71/30/31/986713031.db2.gz PTZWLAYDQFEANN-SECBINFHSA-N -1 0 347.754 3.509 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(Br)cc1Cl ZINC000263530353 1125496945 /nfs/dbraw/zinc/49/69/45/1125496945.db2.gz WDFZDLBVCSOUPP-MWLCHTKSSA-N -1 0 346.652 3.788 20 0 EHADRM CCOc1ccc(Cl)c(N[C@H]2CCCn3nc(C(=O)[O-])cc32)c1 ZINC001597105338 986736367 /nfs/dbraw/zinc/73/63/67/986736367.db2.gz FLICTEZBTGBODR-LBPRGKRZSA-N -1 0 335.791 3.580 20 0 EHADRM CCOc1ccc(N(C)C(=O)Nc2ccc(C(=O)[O-])cc2C)cc1 ZINC001597106349 986747596 /nfs/dbraw/zinc/74/75/96/986747596.db2.gz OZVXDFYGTJFWGL-UHFFFAOYSA-N -1 0 328.368 3.760 20 0 EHADRM CCOc1ccc(NC(=O)C2C[C@H](C)C[C@@H](C)C2)c(C(=O)[O-])c1F ZINC001597111928 986772026 /nfs/dbraw/zinc/77/20/26/986772026.db2.gz JZNMFIJKHNQJGB-GHMZBOCLSA-N -1 0 337.391 3.933 20 0 EHADRM CCOc1ccc(NC(=O)c2ccccc2Cl)c(C(=O)[O-])c1F ZINC001597123038 986822668 /nfs/dbraw/zinc/82/26/68/986822668.db2.gz PLYDFDBXMNBTCL-UHFFFAOYSA-N -1 0 337.734 3.828 20 0 EHADRM C[C@H](C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2)C(C)(F)F ZINC001589448614 986827685 /nfs/dbraw/zinc/82/76/85/986827685.db2.gz PVAPAFFWWWDVOF-MRVPVSSYSA-N -1 0 331.384 3.945 20 0 EHADRM CCOc1ccc2c(c1)CN(Cc1cccc(C(=O)[O-])c1Cl)CC2 ZINC001597142749 986890892 /nfs/dbraw/zinc/89/08/92/986890892.db2.gz JKZWYGXKSLFBGU-UHFFFAOYSA-N -1 0 345.826 3.995 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Nc1ccc2cc[nH]c2c1)c1ccccc1 ZINC001589457970 986897892 /nfs/dbraw/zinc/89/78/92/986897892.db2.gz CKTQXXRWGOMHEB-SJKOYZFVSA-N -1 0 337.379 3.751 20 0 EHADRM CCOc1ccc2ccccc2c1OC(=O)c1cncc(C(=O)[O-])c1 ZINC001597144276 986904222 /nfs/dbraw/zinc/90/42/22/986904222.db2.gz UNZKDQYNJXIWMX-UHFFFAOYSA-N -1 0 337.331 3.551 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(C(C)(C)C)cn1)c1ccccc1 ZINC001589461542 986911686 /nfs/dbraw/zinc/91/16/86/986911686.db2.gz GGTRAXQKBUYENS-CXAGYDPISA-N -1 0 340.423 3.571 20 0 EHADRM CCOc1cccc(F)c1CNc1cc(COC)cc(C(=O)[O-])c1 ZINC001597160110 986965038 /nfs/dbraw/zinc/96/50/38/986965038.db2.gz RSPIVPAALCBDTE-UHFFFAOYSA-N -1 0 333.359 3.681 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1)C1CCC1 ZINC001589476678 986977467 /nfs/dbraw/zinc/97/74/67/986977467.db2.gz FTRSIJYPWGLNGO-LBPRGKRZSA-N -1 0 342.439 3.933 20 0 EHADRM CCOc1ccccc1-c1noc(CCc2ccc(C(=O)[O-])cc2)n1 ZINC001597166819 986987749 /nfs/dbraw/zinc/98/77/49/986987749.db2.gz CSNQOVXMLBKKKI-UHFFFAOYSA-N -1 0 338.363 3.619 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)c1sccc1SC(F)F)C1CCC1 ZINC001589479125 987006317 /nfs/dbraw/zinc/00/63/17/987006317.db2.gz QHDCRNAAYVGGKA-SSDOTTSWSA-N -1 0 335.397 3.531 20 0 EHADRM C/C=C/C[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])cc2N(C)C)C1 ZINC001594685578 987055052 /nfs/dbraw/zinc/05/50/52/987055052.db2.gz FQFRHHLIKOVRAQ-ISZGNANSSA-N -1 0 345.443 3.661 20 0 EHADRM CC/C(=C/C(=O)NC1(CC(=O)[O-])CCCCC1)c1ccc(OC)cc1 ZINC001594690698 987082127 /nfs/dbraw/zinc/08/21/27/987082127.db2.gz HVCIXDKIPQBBSF-SQFISAMPSA-N -1 0 345.439 3.782 20 0 EHADRM CCOc1nc(C)ccc1C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC001597193989 987083487 /nfs/dbraw/zinc/08/34/87/987083487.db2.gz UQOGTOFBSYQEAA-UHFFFAOYSA-N -1 0 342.395 3.863 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2CCC(C3CCC3)CC2)cc1 ZINC001589507603 987124126 /nfs/dbraw/zinc/12/41/26/987124126.db2.gz BAIZFKPNOSBJKS-ZDUSSCGKSA-N -1 0 330.428 3.919 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)cc1 ZINC001589510867 987137246 /nfs/dbraw/zinc/13/72/46/987137246.db2.gz XEIFJWGXOKTDFH-PYTWLRIVSA-N -1 0 330.428 3.917 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2Cc3ccccc3C[C@@H]2C)cc1 ZINC001589510883 987137313 /nfs/dbraw/zinc/13/73/13/987137313.db2.gz XLYWJCAUFJRJJI-UONOGXRCSA-N -1 0 338.407 3.853 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N[C@@H]2C[C@H]2c2ccsc2)cc1 ZINC001589511375 987138949 /nfs/dbraw/zinc/13/89/49/987138949.db2.gz BGGKOTRGLFNPGQ-WKPIXPDZSA-N -1 0 330.409 3.614 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cn[nH]c2-c2ccsc2)cc1 ZINC001589511430 987139870 /nfs/dbraw/zinc/13/98/70/987139870.db2.gz CKQGVIVRXAVRJW-JTQLQIEISA-N -1 0 341.392 3.579 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N[C@H]2C[C@]2(F)c2ccccc2)cc1 ZINC001589512396 987149978 /nfs/dbraw/zinc/14/99/78/987149978.db2.gz KOBINPBLBDSOGO-UVIMBBFXSA-N -1 0 342.370 3.634 20 0 EHADRM CCC(=O)Nc1ccc(C)c(N[C@H](C)c2cncc(C(=O)[O-])c2)c1 ZINC001594710677 987171537 /nfs/dbraw/zinc/17/15/37/987171537.db2.gz TXZYSNIDZBBBEN-GFCCVEGCSA-N -1 0 327.384 3.610 20 0 EHADRM CCC(=O)Nc1ccc(C)c(NCc2ccc(/C=C\C(=O)[O-])o2)c1 ZINC001594710976 987173348 /nfs/dbraw/zinc/17/33/48/987173348.db2.gz YVOWYIQVCYHLDL-HJWRWDBZSA-N -1 0 328.368 3.646 20 0 EHADRM CCC(=O)c1ccc(NC(=O)NC[C@H](CC2CCCC2)C(=O)[O-])cc1 ZINC001594716947 987190590 /nfs/dbraw/zinc/19/05/90/987190590.db2.gz IUULKQUZWVQNLB-HNNXBMFYSA-N -1 0 346.427 3.682 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2c(F)ccc3ccncc32)c1 ZINC001589531352 987202176 /nfs/dbraw/zinc/20/21/76/987202176.db2.gz DNWDSFVJSUZJRA-NSHDSACASA-N -1 0 338.338 3.814 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cnc(-c3ccco3)s2)c1 ZINC001589532777 987218195 /nfs/dbraw/zinc/21/81/95/987218195.db2.gz VTZFJCWXGWMHIV-JTQLQIEISA-N -1 0 342.376 3.844 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NCc2ccnn2CCc2ccccc2)c1 ZINC001589540027 987239303 /nfs/dbraw/zinc/23/93/03/987239303.db2.gz NYGBJFNSHBGVFZ-MRXNPFEDSA-N -1 0 349.434 3.926 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NCc2cn(C)nc2-c2cccs2)c1 ZINC001589540125 987240053 /nfs/dbraw/zinc/24/00/53/987240053.db2.gz QCQVHNBHEXGHIW-LBPRGKRZSA-N -1 0 341.436 3.949 20 0 EHADRM C[C@@H](C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl)C(C)(F)F ZINC001589540935 987250158 /nfs/dbraw/zinc/25/01/58/987250158.db2.gz UUJAFJMBVMKDLN-QUBYGPBYSA-N -1 0 341.137 3.954 20 0 EHADRM C[C@H](C(=O)O[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC001589544050 987263899 /nfs/dbraw/zinc/26/38/99/987263899.db2.gz VNPSWJZORLOMKQ-SUHUHFCYSA-N -1 0 344.329 3.996 20 0 EHADRM CCSCC[C@@H](C)NC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001597258990 987276031 /nfs/dbraw/zinc/27/60/31/987276031.db2.gz BVIHANDEGYYLFI-CHWSQXEVSA-N -1 0 338.473 3.603 20 0 EHADRM CCSCc1ccc(NC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)cc1 ZINC001597265505 987298238 /nfs/dbraw/zinc/29/82/38/987298238.db2.gz ZXZQYUWLAGXYMY-CLWVCHIJSA-N -1 0 348.468 3.561 20 0 EHADRM CCSc1ccc(CC(=O)N[C@@]2(C(=O)[O-])CCCC(C)(C)C2)cc1 ZINC001597273093 987326526 /nfs/dbraw/zinc/32/65/26/987326526.db2.gz QUASYLXIODFGLE-IBGZPJMESA-N -1 0 349.496 3.881 20 0 EHADRM CCSc1cccc(F)c1NC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C ZINC001597277020 987331787 /nfs/dbraw/zinc/33/17/87/987331787.db2.gz BSTBCHBBUKRIDX-LBPRGKRZSA-N -1 0 342.436 3.949 20 0 EHADRM CC[C@@H](NC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1)c1ccccc1F ZINC001597286042 987364103 /nfs/dbraw/zinc/36/41/03/987364103.db2.gz IKLWKGZZZXQAFF-MRXNPFEDSA-N -1 0 348.374 3.718 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)NCCC[C@H]1C=CCC1)c1ccccc1 ZINC001589595123 987412320 /nfs/dbraw/zinc/41/23/20/987412320.db2.gz SVXWFBFKHRQHSZ-DOTOQJQBSA-N -1 0 344.455 3.884 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1 ZINC001589598037 987417808 /nfs/dbraw/zinc/41/78/08/987417808.db2.gz FQFOPUAAHWOUSH-RCCFBDPRSA-N -1 0 337.419 3.758 20 0 EHADRM CC(C)(C(=O)[O-])N(Cc1ccccc1)C(=O)c1sccc1Cl ZINC001589616443 987479856 /nfs/dbraw/zinc/47/98/56/987479856.db2.gz COHLPEDDQRXNHW-UHFFFAOYSA-N -1 0 337.828 3.907 20 0 EHADRM CCc1[nH]c(C(=O)N(C)c2ccccc2C(C)C)c(C)c1C(=O)[O-] ZINC001597354781 987499087 /nfs/dbraw/zinc/49/90/87/987499087.db2.gz OYJHBEJGZJTBLU-UHFFFAOYSA-N -1 0 328.412 3.984 20 0 EHADRM CCc1[nH]c(C(=O)NC[C@H](CC)c2ccccc2)c(C)c1C(=O)[O-] ZINC001597366228 987536824 /nfs/dbraw/zinc/53/68/24/987536824.db2.gz CHAJWHMVJZOTQL-ZDUSSCGKSA-N -1 0 328.412 3.507 20 0 EHADRM CCc1[nH]c(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2C)c(C)c1C(=O)[O-] ZINC001597367140 987540514 /nfs/dbraw/zinc/54/05/14/987540514.db2.gz NMFHRHCYQYUATJ-GTNSWQLSSA-N -1 0 340.423 3.637 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C[C@]2(C)CC2(Cl)Cl)cc1 ZINC001589633821 987547861 /nfs/dbraw/zinc/54/78/61/987547861.db2.gz FBJXEQWQYLAVQO-OAHLLOKOSA-N -1 0 344.238 3.961 20 0 EHADRM CCc1[nH]c(C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)c(C)c1C(=O)[O-] ZINC001597384852 987590496 /nfs/dbraw/zinc/59/04/96/987590496.db2.gz KCWAMJDXVAGKNL-GXTWGEPZSA-N -1 0 346.814 3.523 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)COc2cccc(Cl)c2)c1 ZINC001589650126 987597454 /nfs/dbraw/zinc/59/74/54/987597454.db2.gz FREDBLOKEMEEIE-UHFFFAOYSA-N -1 0 348.782 3.687 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)/C=C\c2ccccc2F)c1 ZINC001589650555 987598226 /nfs/dbraw/zinc/59/82/26/987598226.db2.gz KEUKZEFFSWUKPG-KHPPLWFESA-N -1 0 328.339 3.807 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(NC(=O)c2ccc3sccc3c2)n1 ZINC001589657222 987629610 /nfs/dbraw/zinc/62/96/10/987629610.db2.gz USYDMFNKDOAFGR-UHFFFAOYSA-N -1 0 346.433 3.972 20 0 EHADRM CCc1c2ccccc2oc1C(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC001597406319 987680974 /nfs/dbraw/zinc/68/09/74/987680974.db2.gz PFVIBJJJRKJQIA-CQSZACIVSA-N -1 0 329.377 3.612 20 0 EHADRM CCc1c(C(=O)Nc2cccc3cc(C(=O)[O-])sc32)cnn1CC ZINC001597413156 987709191 /nfs/dbraw/zinc/70/91/91/987709191.db2.gz WYOCCYWKZZNMJM-UHFFFAOYSA-N -1 0 343.408 3.631 20 0 EHADRM CC(C)(C)C(=O)c1ccsc1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001589699621 987786468 /nfs/dbraw/zinc/78/64/68/987786468.db2.gz NGRQQEQPWMLKON-GHMZBOCLSA-N -1 0 337.441 3.806 20 0 EHADRM CC(C)(C)C(=O)c1ccsc1NC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001589700511 987791839 /nfs/dbraw/zinc/79/18/39/987791839.db2.gz XZXBXEUXSCIHIV-SNAWJCMRSA-N -1 0 347.392 3.920 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC001589702430 987799158 /nfs/dbraw/zinc/79/91/58/987799158.db2.gz GSTCXRIANDUQIS-AWEZNQCLSA-N -1 0 345.399 3.716 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)Nc1csnc1-c1ccccc1 ZINC001589703280 987806006 /nfs/dbraw/zinc/80/60/06/987806006.db2.gz WQZREECRMWYQLC-ZDUSSCGKSA-N -1 0 347.440 3.821 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2cc(F)cc3ccncc32)s1 ZINC001597443639 987810766 /nfs/dbraw/zinc/81/07/66/987810766.db2.gz PPDNAZYJDANGGG-UHFFFAOYSA-N -1 0 344.367 3.948 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC001597449699 987834706 /nfs/dbraw/zinc/83/47/06/987834706.db2.gz IOFZXDANHWVFEV-QWHCGFSZSA-N -1 0 345.345 3.968 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)CCCc1ccc(OC)cc1 ZINC001597449724 987835804 /nfs/dbraw/zinc/83/58/04/987835804.db2.gz JBXBAMBMVAMEFF-UHFFFAOYSA-N -1 0 341.407 3.917 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1C[C@@]1(F)c1ccccc1 ZINC001597450316 987839646 /nfs/dbraw/zinc/83/96/46/987839646.db2.gz VXDOLWJSFBCOQM-DNVCBOLYSA-N -1 0 327.355 3.771 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CC[C@H](C(F)(F)F)[C@H]1C ZINC001597454070 987859370 /nfs/dbraw/zinc/85/93/70/987859370.db2.gz XZFAQFQAVLNPBE-SKDRFNHKSA-N -1 0 344.333 3.752 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001597457338 987872751 /nfs/dbraw/zinc/87/27/51/987872751.db2.gz JFINQGUQGHAYNF-WBVHZDCISA-N -1 0 342.370 3.764 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCC1(CCOC)CCCC1 ZINC001597457396 987873833 /nfs/dbraw/zinc/87/38/33/987873833.db2.gz KIMQSDPSOVRUMP-UHFFFAOYSA-N -1 0 348.443 3.666 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1ccc2c(c1)OC(C)(C)C2 ZINC001597463914 987894787 /nfs/dbraw/zinc/89/47/87/987894787.db2.gz GWWJNQAFGRBQGT-UHFFFAOYSA-N -1 0 339.391 3.913 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cc(C)n(-c2ccccc2)n1 ZINC001597465506 987905819 /nfs/dbraw/zinc/90/58/19/987905819.db2.gz SQFCQZMRPGPUJG-UHFFFAOYSA-N -1 0 349.390 3.694 20 0 EHADRM CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001589728215 987928924 /nfs/dbraw/zinc/92/89/24/987928924.db2.gz GHWDXVPPDPSDGT-HZPDHXFCSA-N -1 0 348.443 3.876 20 0 EHADRM CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001589728252 987929149 /nfs/dbraw/zinc/92/91/49/987929149.db2.gz GZIBLSQGMZRTMK-FUXFULCISA-N -1 0 333.428 3.960 20 0 EHADRM CCc1noc(C)c1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000164860328 1015347104 /nfs/dbraw/zinc/34/71/04/1015347104.db2.gz NKOKOARPZSNHJZ-UHFFFAOYSA-N -1 0 335.212 3.653 20 0 EHADRM CC(C)(C)[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2Cl)CCO1 ZINC001589732467 987961939 /nfs/dbraw/zinc/96/19/39/987961939.db2.gz QIAOCEPPPQBUNL-HUUCEWRRSA-N -1 0 325.836 3.603 20 0 EHADRM CCc1cc(OCC(=O)Oc2ccc(C(=O)[O-])cc2)ccc1Cl ZINC001597488215 987998129 /nfs/dbraw/zinc/99/81/29/987998129.db2.gz XRLRDSFOEAPWQU-UHFFFAOYSA-N -1 0 334.755 3.585 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)N[C@@H]1CC=C(C(=O)[O-])C1)c1ccc(F)cc1 ZINC001589745573 988040493 /nfs/dbraw/zinc/04/04/93/988040493.db2.gz PDUIMBXFTCVVOO-HZPDHXFCSA-N -1 0 348.418 3.776 20 0 EHADRM CSCC1(CC(=O)N2CCCCc3cc(C(=O)[O-])ccc32)CC1 ZINC001599793328 988047955 /nfs/dbraw/zinc/04/79/55/988047955.db2.gz DHWFKIXPYXPOSP-UHFFFAOYSA-N -1 0 333.453 3.587 20 0 EHADRM CCc1ccc(C(C)(C)C(=O)N2CCc3c2cccc3C(=O)[O-])cc1 ZINC001597508143 988083820 /nfs/dbraw/zinc/08/38/20/988083820.db2.gz DEVJWNSWSJVVOD-UHFFFAOYSA-N -1 0 337.419 3.814 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)cc1 ZINC001597511592 988091316 /nfs/dbraw/zinc/09/13/16/988091316.db2.gz FIJRINHHKHQYCY-STXHMFSFSA-N -1 0 331.456 3.892 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001597511737 988092787 /nfs/dbraw/zinc/09/27/87/988092787.db2.gz GNMMAEFQRXTJTQ-KDOFPFPSSA-N -1 0 331.456 3.750 20 0 EHADRM CC(C)(C)CCCCC(=O)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001589771798 988125156 /nfs/dbraw/zinc/12/51/56/988125156.db2.gz HWDYBQMGDIVBJB-DLBZAZTESA-N -1 0 347.455 3.625 20 0 EHADRM CCc1ccc(CCC(=O)Oc2cc(C(=O)[O-])cc(F)c2C)cc1 ZINC001597523573 988160654 /nfs/dbraw/zinc/16/06/54/988160654.db2.gz WMGJOHGADZNDMY-UHFFFAOYSA-N -1 0 330.355 3.933 20 0 EHADRM CCc1ccc(NC(=O)C[C@@H]2OCCc3ccccc32)c(C(=O)[O-])c1 ZINC001597542449 988230602 /nfs/dbraw/zinc/23/06/02/988230602.db2.gz CDUYHJGUWLDBTK-SFHVURJKSA-N -1 0 339.391 3.590 20 0 EHADRM CSCc1cccnc1C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001599804496 988232590 /nfs/dbraw/zinc/23/25/90/988232590.db2.gz LOIRNHFGHVULEP-UHFFFAOYSA-N -1 0 337.784 3.515 20 0 EHADRM CCc1ccc(NC(=O)C2C[C@H]3CCCC[C@@H](C2)C3=O)c(C(=O)[O-])c1 ZINC001597543004 988236342 /nfs/dbraw/zinc/23/63/42/988236342.db2.gz OSIXNNBSVOVFPY-YIONKMFJSA-N -1 0 343.423 3.671 20 0 EHADRM CSc1c(F)cccc1C(=O)N1c2cccc(C)c2C[C@@H]1C(=O)[O-] ZINC001599806001 988257331 /nfs/dbraw/zinc/25/73/31/988257331.db2.gz GWNIMDLFHXJWAI-OAHLLOKOSA-N -1 0 345.395 3.512 20 0 EHADRM CCc1ccc(O)c(C(=O)Nc2ccc(OC(C)C)cc2C(=O)[O-])c1 ZINC001597555934 988284931 /nfs/dbraw/zinc/28/49/31/988284931.db2.gz CRDKNCMOMVFQIS-UHFFFAOYSA-N -1 0 343.379 3.692 20 0 EHADRM CCc1ccc(O)c(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)c1 ZINC001597556166 988285588 /nfs/dbraw/zinc/28/55/88/988285588.db2.gz JGXOTIHJYLFDPL-IBGZPJMESA-N -1 0 349.386 3.664 20 0 EHADRM CCc1ccc2c(c1)[C@H](OC(=O)c1oc(C(=O)[O-])cc1C)CCO2 ZINC001597569388 988334016 /nfs/dbraw/zinc/33/40/16/988334016.db2.gz UFBBIZJMGDVQLX-CQSZACIVSA-N -1 0 330.336 3.529 20 0 EHADRM CCc1cccc(CC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)c1 ZINC001597581100 988384939 /nfs/dbraw/zinc/38/49/39/988384939.db2.gz MZTLTSLXULCIAK-UHFFFAOYSA-N -1 0 347.798 3.547 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)NCc1cc(C(=O)[O-])co1 ZINC001599813934 988386817 /nfs/dbraw/zinc/38/68/17/988386817.db2.gz BJPRSUQLJVYRSM-UHFFFAOYSA-N -1 0 340.788 3.675 20 0 EHADRM CSc1ccc(Cl)c(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC001599814677 988401323 /nfs/dbraw/zinc/40/13/23/988401323.db2.gz NANANCWSXJYIAE-NXEZZACHSA-N -1 0 327.833 3.891 20 0 EHADRM CSc1ccc(NC(=O)COc2cc(C)ccc2F)cc1C(=O)[O-] ZINC001599815334 988412482 /nfs/dbraw/zinc/41/24/82/988412482.db2.gz GKPKQXPXYKXFIJ-UHFFFAOYSA-N -1 0 349.383 3.572 20 0 EHADRM CSc1ccc(NC(=O)N(C)[C@@H](C)c2ccncc2)cc1C(=O)[O-] ZINC001599816619 988436682 /nfs/dbraw/zinc/43/66/82/988436682.db2.gz JJHXBPQIIIMHFA-NSHDSACASA-N -1 0 345.424 3.727 20 0 EHADRM CSc1ccc(NC(=O)N(C)[C@@H](C)c2ccccn2)cc1C(=O)[O-] ZINC001599816664 988437824 /nfs/dbraw/zinc/43/78/24/988437824.db2.gz KQCMNYQHGPEWQE-NSHDSACASA-N -1 0 345.424 3.727 20 0 EHADRM CCc1cccc(NC(=S)N(C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC001597595281 988440194 /nfs/dbraw/zinc/44/01/94/988440194.db2.gz MEMCELOFNQUZLS-UHFFFAOYSA-N -1 0 328.437 3.776 20 0 EHADRM CSc1ccc(NC(=O)NCCc2cccc(C)c2)cc1C(=O)[O-] ZINC001599818512 988470119 /nfs/dbraw/zinc/47/01/19/988470119.db2.gz ILSQDQAFCGTHFO-UHFFFAOYSA-N -1 0 344.436 3.779 20 0 EHADRM CSc1ccc(NC(=O)N[C@@H](C)c2c(C)noc2C)cc1C(=O)[O-] ZINC001599818555 988471697 /nfs/dbraw/zinc/47/16/97/988471697.db2.gz VJWCSEXULVXXKU-QMMMGPOBSA-N -1 0 349.412 3.594 20 0 EHADRM CCc1ccccc1C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001597609414 988494123 /nfs/dbraw/zinc/49/41/23/988494123.db2.gz PFJZIXGWCHTVSA-UHFFFAOYSA-N -1 0 349.333 3.843 20 0 EHADRM CSc1ccc(O)c(C(=O)Nc2ccc(F)c(C(=O)[O-])c2C)c1 ZINC001599820028 988496147 /nfs/dbraw/zinc/49/61/47/988496147.db2.gz OHPNIMYLPDGLIP-UHFFFAOYSA-N -1 0 335.356 3.512 20 0 EHADRM CSc1cccc(C(=O)Nc2cccc(SCCC(=O)[O-])c2)n1 ZINC001599821434 988520287 /nfs/dbraw/zinc/52/02/87/988520287.db2.gz BHTMEDJGULUUEI-UHFFFAOYSA-N -1 0 348.449 3.623 20 0 EHADRM CSc1cccc(C(=O)Nc2ccc(OC(C)C)cc2C(=O)[O-])n1 ZINC001599821855 988527948 /nfs/dbraw/zinc/52/79/48/988527948.db2.gz KOAJDXWFANNFNI-UHFFFAOYSA-N -1 0 346.408 3.541 20 0 EHADRM CCc1ccccc1OCCC(=O)Nc1scc(C(=O)[O-])c1C ZINC001597616238 988537728 /nfs/dbraw/zinc/53/77/28/988537728.db2.gz KIQGECLGIOMJSY-UHFFFAOYSA-N -1 0 333.409 3.725 20 0 EHADRM CSc1ccccc1CN(C)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001599824328 988570446 /nfs/dbraw/zinc/57/04/46/988570446.db2.gz XXVBBWQDJKBNDJ-UHFFFAOYSA-N -1 0 333.384 3.518 20 0 EHADRM CSc1cccc(NC(=O)NCc2cc(C(=O)[O-])c(C)o2)c1C ZINC001599824839 988581089 /nfs/dbraw/zinc/58/10/89/988581089.db2.gz SKZCYBWJLHCGCI-UHFFFAOYSA-N -1 0 334.397 3.638 20 0 EHADRM CSc1ccccc1NC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001599825113 988585849 /nfs/dbraw/zinc/58/58/49/988585849.db2.gz HSUILXJRUBLKKR-UHFFFAOYSA-N -1 0 334.372 3.568 20 0 EHADRM CSc1ccccc1[C@H](C)NC(=O)NCCCCCCC(=O)[O-] ZINC001599826045 988599471 /nfs/dbraw/zinc/59/94/71/988599471.db2.gz FIZPGJYPNICCQO-ZDUSSCGKSA-N -1 0 338.473 3.804 20 0 EHADRM CSc1ccccc1[C@@H](C)NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001599826407 988604545 /nfs/dbraw/zinc/60/45/45/988604545.db2.gz NLUOMHREBDSTIO-SNVBAGLBSA-N -1 0 333.384 3.737 20 0 EHADRM CCc1cncc(C(=O)O[C@@H](c2ccc(C(=O)[O-])cc2)C(F)F)c1 ZINC001597633928 988608957 /nfs/dbraw/zinc/60/89/57/988608957.db2.gz HVWDGAQYRNCIMP-AWEZNQCLSA-N -1 0 335.306 3.505 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cc2cccc(F)c2o1 ZINC001599832081 988689149 /nfs/dbraw/zinc/68/91/49/988689149.db2.gz LEFFQPYKADKZJS-LBPRGKRZSA-N -1 0 341.338 3.687 20 0 EHADRM CCc1nc(NC(=O)[C@@]2(c3ccccc3)CC2(C)C)sc1C(=O)[O-] ZINC001597676055 988789115 /nfs/dbraw/zinc/78/91/15/988789115.db2.gz RAHWBAXHBIKKCU-SFHVURJKSA-N -1 0 344.436 3.710 20 0 EHADRM CCc1nc(NC(=O)COc2ccccc2C(C)C)sc1C(=O)[O-] ZINC001597680453 988807312 /nfs/dbraw/zinc/80/73/12/988807312.db2.gz MHPALAOFVJPTSZ-UHFFFAOYSA-N -1 0 348.424 3.545 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c2ccccc12)C(F)(F)F ZINC001599840350 988815820 /nfs/dbraw/zinc/81/58/20/988815820.db2.gz PEHQAMJDYCFMKZ-MRVPVSSYSA-N -1 0 326.274 3.610 20 0 EHADRM CCc1nc(NC(=O)c2c(Cl)cccc2Cl)sc1C(=O)[O-] ZINC001597681929 988816996 /nfs/dbraw/zinc/81/69/96/988816996.db2.gz KZWXPMASQMFURS-UHFFFAOYSA-N -1 0 345.207 3.963 20 0 EHADRM CCc1nc(NC(=O)c2ccc3ccccc3c2O)sc1C(=O)[O-] ZINC001597685633 988839747 /nfs/dbraw/zinc/83/97/47/988839747.db2.gz YHDZJTFCMKMNLS-UHFFFAOYSA-N -1 0 342.376 3.515 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)ccc1F ZINC000179525390 1015429929 /nfs/dbraw/zinc/42/99/29/1015429929.db2.gz HHIXWOUREHHIJP-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM C[C@@H](OC(=O)COCC(=O)[O-])c1ccc(Sc2ccccc2)cc1 ZINC001599845665 988926817 /nfs/dbraw/zinc/92/68/17/988926817.db2.gz OXUKVMLKXRNCRS-CYBMUJFWSA-N -1 0 346.404 3.543 20 0 EHADRM C[C@@H]1CC(C)(C)C[C@](C)(NC(=O)NCCCCCCC(=O)[O-])C1 ZINC001599846944 988948908 /nfs/dbraw/zinc/94/89/08/988948908.db2.gz BZGNCQZLWOEWDB-RDTXWAMCSA-N -1 0 326.481 3.926 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1cccc(C(=O)OC)c1Cl ZINC001597767777 989225687 /nfs/dbraw/zinc/22/56/87/989225687.db2.gz VLCQSRNIJVWYAA-UHFFFAOYSA-N -1 0 337.759 3.592 20 0 EHADRM CC(C)c1cc(C(=O)Nc2nnc(/C=C/c3ccco3)s2)no1 ZINC000179585488 1015461679 /nfs/dbraw/zinc/46/16/79/1015461679.db2.gz NNPJPESDLZSGAH-AATRIKPKSA-N -1 0 330.369 3.665 20 0 EHADRM CCc1oc(C(=O)OC)cc1CNc1cccc(C(=O)[O-])c1Cl ZINC001597790591 989311945 /nfs/dbraw/zinc/31/19/45/989311945.db2.gz BNDUSQJBKGWADI-UHFFFAOYSA-N -1 0 337.759 3.592 20 0 EHADRM CCn1c(SCc2ccoc2C(=O)[O-])nnc1-c1cccc(C)c1 ZINC001597865024 989652556 /nfs/dbraw/zinc/65/25/56/989652556.db2.gz UAYLZVDKLHTHLV-UHFFFAOYSA-N -1 0 343.408 3.857 20 0 EHADRM CC(C)(C)OC(=O)Nc1cccc(OC(=O)c2ccc(C(=O)[O-])o2)c1 ZINC001590319037 989750895 /nfs/dbraw/zinc/75/08/95/989750895.db2.gz NURLDYNXYCTSPR-UHFFFAOYSA-N -1 0 347.323 3.544 20 0 EHADRM CC(C)(C)OCc1cccc(CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC001590398393 989929579 /nfs/dbraw/zinc/92/95/79/989929579.db2.gz CKMABDIDBQSGTN-DLBZAZTESA-N -1 0 347.455 3.509 20 0 EHADRM CC(C)(C)OCc1cccc(CNC(=O)c2ccccc2C(=O)[O-])c1 ZINC001590398613 989930514 /nfs/dbraw/zinc/93/05/14/989930514.db2.gz JPJBAQDYPUMPIS-UHFFFAOYSA-N -1 0 341.407 3.630 20 0 EHADRM CCn1nc(CNc2ccc3c(C(=O)[O-])c[nH]c3c2)c2ccccc21 ZINC001597946225 989934482 /nfs/dbraw/zinc/93/44/82/989934482.db2.gz VHYHQPNTXYGWHS-UHFFFAOYSA-N -1 0 334.379 3.848 20 0 EHADRM CC(C)(C)Oc1ccc(CNC(=O)c2cc(F)cc(C(=O)[O-])c2)cc1 ZINC001590407781 989937072 /nfs/dbraw/zinc/93/70/72/989937072.db2.gz ASKIHYLSUPQABQ-UHFFFAOYSA-N -1 0 345.370 3.631 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)c1 ZINC001590416363 989955655 /nfs/dbraw/zinc/95/56/55/989955655.db2.gz KRHGHPJTRCBOCY-UHFFFAOYSA-N -1 0 345.370 3.882 20 0 EHADRM CC(C)(C)Oc1ccccc1NC(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001590422148 989966985 /nfs/dbraw/zinc/96/69/85/989966985.db2.gz GYFAHPUBMBAXCV-UHFFFAOYSA-N -1 0 331.343 3.954 20 0 EHADRM CCn1ncc(NC(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)c1C ZINC001597958370 989976087 /nfs/dbraw/zinc/97/60/87/989976087.db2.gz MPZABZHLJJYJCC-UHFFFAOYSA-N -1 0 338.367 3.707 20 0 EHADRM CC(C)(C)c1cc(NC[C@@H](CC(=O)[O-])C2CC2)nc(C(C)(C)C)n1 ZINC001590461541 990029723 /nfs/dbraw/zinc/02/97/23/990029723.db2.gz BDFLVKYPUVULAF-CYBMUJFWSA-N -1 0 333.476 3.984 20 0 EHADRM CC(=O)[C@@H]1C[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2[O-])C1(C)C ZINC000547719702 1015531566 /nfs/dbraw/zinc/53/15/66/1015531566.db2.gz APGNSFWDWPIXNA-VHSXEESVSA-N -1 0 330.211 3.889 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)cc1Cl ZINC001590481494 990073512 /nfs/dbraw/zinc/07/35/12/990073512.db2.gz DSEOZEIIDWAJRG-JXFSHQFZSA-N -1 0 349.858 3.867 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])s1 ZINC001590481551 990074447 /nfs/dbraw/zinc/07/44/47/990074447.db2.gz HPSWPGWGDAWJOL-ZDUSSCGKSA-N -1 0 349.427 3.610 20 0 EHADRM CC(C)(C)c1ccc(COC(=O)c2ccc(C(=O)[O-])cc2F)cn1 ZINC001590487221 990087122 /nfs/dbraw/zinc/08/71/22/990087122.db2.gz HWXGXFYHVPDXLL-UHFFFAOYSA-N -1 0 331.343 3.573 20 0 EHADRM CC(C)(C)c1ccc(Cl)cc1NC(=O)c1ccc(C(=O)[O-])nc1 ZINC001590492601 990091708 /nfs/dbraw/zinc/09/17/08/990091708.db2.gz FBFNRSDBOABQAE-UHFFFAOYSA-N -1 0 332.787 3.983 20 0 EHADRM CC(C)(C)c1ccc(OCC(=O)NCC2(C(=O)[O-])CCCCC2)cc1 ZINC001590493770 990097493 /nfs/dbraw/zinc/09/74/93/990097493.db2.gz PFXJIYHKSORTHP-UHFFFAOYSA-N -1 0 347.455 3.514 20 0 EHADRM CN(C(=O)[C@H]1CC(C)(C)Oc2ccccc21)C1(C(=O)[O-])CCCCC1 ZINC001597997485 990111664 /nfs/dbraw/zinc/11/16/64/990111664.db2.gz NZIQFWWDDQSLJH-HNNXBMFYSA-N -1 0 345.439 3.577 20 0 EHADRM CC(C)(C)c1ccc(SCC(=O)N2CCCC[C@H]2CC(=O)[O-])cc1 ZINC001590501017 990116479 /nfs/dbraw/zinc/11/64/79/990116479.db2.gz OFVQZIHZAJUUJU-HNNXBMFYSA-N -1 0 349.496 3.932 20 0 EHADRM CC(C)(C)c1nc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)co1 ZINC001590537755 990157720 /nfs/dbraw/zinc/15/77/20/990157720.db2.gz QLMDBEBAWMVTGS-UHFFFAOYSA-N -1 0 348.424 3.863 20 0 EHADRM CC(C)(C)n1ccc(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)n1 ZINC001590599863 990256091 /nfs/dbraw/zinc/25/60/91/990256091.db2.gz SKUXOEQMCQPMFY-UHFFFAOYSA-N -1 0 337.379 3.742 20 0 EHADRM CN(C(=O)C[C@@H]1C[C@H]1Cc1ccccc1)C1(C(=O)[O-])CCCCC1 ZINC001598034900 990261260 /nfs/dbraw/zinc/26/12/60/990261260.db2.gz YLTUANJYYZMONR-SJORKVTESA-N -1 0 329.440 3.501 20 0 EHADRM CC(C)(CC(=O)OCc1nc(C(=O)[O-])cs1)C1CCCCC1 ZINC001590648722 990333916 /nfs/dbraw/zinc/33/39/16/990333916.db2.gz CLCIPMYCOPPPQK-UHFFFAOYSA-N -1 0 325.430 3.881 20 0 EHADRM CN(C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)C1(C(=O)[O-])CCCCC1 ZINC001598066462 990350787 /nfs/dbraw/zinc/35/07/87/990350787.db2.gz GFNZNGONVCEFAY-IAGOWNOFSA-N -1 0 329.440 3.816 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)/C=C/c1ccc(F)c2ccccc12 ZINC001590657864 990357541 /nfs/dbraw/zinc/35/75/41/990357541.db2.gz KKTXTAQUQQLMIX-CSKARUKUSA-N -1 0 329.371 3.752 20 0 EHADRM CC(C)(CCCc1ccccc1)C(=O)OCc1cccc(C(=O)[O-])n1 ZINC001590664819 990364499 /nfs/dbraw/zinc/36/44/99/990364499.db2.gz PGPVFEBDRDRZRW-UHFFFAOYSA-N -1 0 341.407 3.872 20 0 EHADRM CN(C(=O)c1cccc(-c2c(F)cccc2F)c1)C(C)(C)CC(=O)[O-] ZINC001598089307 990431143 /nfs/dbraw/zinc/43/11/43/990431143.db2.gz QBOSXVRCNASEDJ-UHFFFAOYSA-N -1 0 347.361 3.957 20 0 EHADRM CC(C)(CNC(=O)/C=C\c1cc(Cl)cc(Cl)c1)CC(=O)[O-] ZINC001590707799 990453999 /nfs/dbraw/zinc/45/39/99/990453999.db2.gz COFUDIHIZGBIOF-ARJAWSKDSA-N -1 0 330.211 3.624 20 0 EHADRM CC(C)(NCc1cc(C(=O)[O-])co1)c1nc2cc(Cl)ccc2o1 ZINC001590871261 990776923 /nfs/dbraw/zinc/77/69/23/990776923.db2.gz KUUHIOILUGRHLM-UHFFFAOYSA-N -1 0 334.759 3.797 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)C1(C)C ZINC001590914534 990898589 /nfs/dbraw/zinc/89/85/89/990898589.db2.gz JDRVFGXKHDYVHO-IKGGRYGDSA-N -1 0 329.440 3.784 20 0 EHADRM CC(C)=CCC[C@H](C)CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001590921016 990908574 /nfs/dbraw/zinc/90/85/74/990908574.db2.gz CTFPIVLTLMJDEY-WMLDXEAASA-N -1 0 335.419 3.710 20 0 EHADRM CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001590921689 990912693 /nfs/dbraw/zinc/91/26/93/990912693.db2.gz VSTCNGJQNXHVEZ-JKSUJKDBSA-N -1 0 335.831 3.746 20 0 EHADRM CC(C)=CCOc1cccc(CC(=O)Nc2cc(C)[nH]c2C(=O)[O-])c1 ZINC001590926870 990927266 /nfs/dbraw/zinc/92/72/66/990927266.db2.gz JJNNBMRQHMTDFH-UHFFFAOYSA-N -1 0 342.395 3.548 20 0 EHADRM COc1cccc([C@H](NC(=O)CCCC2CCCCC2)C(=O)[O-])c1 ZINC001599685453 990979840 /nfs/dbraw/zinc/97/98/40/990979840.db2.gz NPCAMGCODMVICA-SFHVURJKSA-N -1 0 333.428 3.688 20 0 EHADRM CC(C)[C@H](C(=O)N1CCc2c1cccc2C(=O)[O-])c1ccc(F)cc1 ZINC001590952388 991012745 /nfs/dbraw/zinc/01/27/45/991012745.db2.gz CISGVVVPQZOYLY-SFHVURJKSA-N -1 0 341.382 3.853 20 0 EHADRM CC(C)[C@H](C)N(CC(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001590974536 991111780 /nfs/dbraw/zinc/11/17/80/991111780.db2.gz QVDDRLTUVSQJDT-HNNXBMFYSA-N -1 0 340.423 3.874 20 0 EHADRM COc1cccc2c1OCC[C@@H]2NCc1cc(C(=O)[O-])ccc1Cl ZINC001599694025 991118627 /nfs/dbraw/zinc/11/86/27/991118627.db2.gz QFXJFPLEGYBZAI-HNNXBMFYSA-N -1 0 347.798 3.660 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)NC(=O)Nc1cc(C(=O)[O-])cs1 ZINC001590994217 991217824 /nfs/dbraw/zinc/21/78/24/991217824.db2.gz XLKDUDAJBHZTOV-CQSZACIVSA-N -1 0 332.425 3.835 20 0 EHADRM CC(C)[C@@H](NC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001591007807 991272421 /nfs/dbraw/zinc/27/24/21/991272421.db2.gz NOFXJDWJNUYGBM-VHDGCEQUSA-N -1 0 338.835 3.542 20 0 EHADRM CC(C)[C@@H](NC(=O)NCC(C)(C)CC(=O)[O-])c1ccccc1Cl ZINC001591013140 991280445 /nfs/dbraw/zinc/28/04/45/991280445.db2.gz GUXRYLSTLZJMAD-OAHLLOKOSA-N -1 0 340.851 3.837 20 0 EHADRM CN(C)c1ccc(OC(=O)C/C=C/c2ccc(F)cc2)cc1C(=O)[O-] ZINC001598329335 991362125 /nfs/dbraw/zinc/36/21/25/991362125.db2.gz QOFWARUEUJCRQE-ONEGZZNKSA-N -1 0 343.354 3.599 20 0 EHADRM CN(C)c1cccc(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)c1 ZINC001598335608 991389429 /nfs/dbraw/zinc/38/94/29/991389429.db2.gz OZMPVVWEPHGTQM-UHFFFAOYSA-N -1 0 334.375 3.856 20 0 EHADRM CC(C)[C@]1(CO)CCN(c2c(Cl)cc(Cl)cc2C(=O)[O-])C1 ZINC001591067766 991516937 /nfs/dbraw/zinc/51/69/37/991516937.db2.gz KBOLEWORQHBZTI-OAHLLOKOSA-N -1 0 332.227 3.536 20 0 EHADRM CC(C)[C@@H]1CCC[C@@H](NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)C1 ZINC001591081074 991590027 /nfs/dbraw/zinc/59/00/27/991590027.db2.gz GOQCCUBBQYWNHZ-HUUCEWRRSA-N -1 0 342.439 3.671 20 0 EHADRM COc1cncc(CNc2cccc3cc(C(=O)[O-])sc32)c1C ZINC001599726459 991635393 /nfs/dbraw/zinc/63/53/93/991635393.db2.gz QLKSFCNIFXVMMV-UHFFFAOYSA-N -1 0 328.393 3.924 20 0 EHADRM CC(C)[C@H]1CN(C(=O)c2ccc(C(=O)[O-])c(F)c2)c2ccccc21 ZINC001591093359 991657422 /nfs/dbraw/zinc/65/74/22/991657422.db2.gz RBBXXUWFNXROOG-OAHLLOKOSA-N -1 0 327.355 3.924 20 0 EHADRM CC(C)C[C@@H](CNC(=O)CCCCc1ccc(Cl)cc1)C(=O)[O-] ZINC001591149229 991888275 /nfs/dbraw/zinc/88/82/75/991888275.db2.gz LEENFCHYKFKKCA-HNNXBMFYSA-N -1 0 339.863 3.916 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1csc(-c2ccccc2)n1)C(=O)[O-] ZINC001591150498 991892419 /nfs/dbraw/zinc/89/24/19/991892419.db2.gz CXEUZIGXWXIIQF-ZDUSSCGKSA-N -1 0 347.440 3.679 20 0 EHADRM CN(C[C@@H]1CCc2ccccc21)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001598467113 991974179 /nfs/dbraw/zinc/97/41/79/991974179.db2.gz JVAYPWUEFJKVLG-INIZCTEOSA-N -1 0 338.407 3.507 20 0 EHADRM CC(C)C[C@@H](Sc1nnc(C(C)C)n1Cc1ccco1)C(=O)[O-] ZINC001591191104 991999993 /nfs/dbraw/zinc/99/99/93/991999993.db2.gz OUNWMKSGOGHIPA-CYBMUJFWSA-N -1 0 337.445 3.634 20 0 EHADRM CC(C)C[C@]1(C)CCCN1C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001591191796 992005277 /nfs/dbraw/zinc/00/52/77/992005277.db2.gz GRYUNPGTCPNNAB-IBGZPJMESA-N -1 0 347.459 3.883 20 0 EHADRM CC(C)C[C@@]1(C)CCCN1C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001591193400 992010870 /nfs/dbraw/zinc/01/08/70/992010870.db2.gz ZCXHDLGVMHRUFC-HXUWFJFHSA-N -1 0 342.439 3.836 20 0 EHADRM CC(C)CC1(CNC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)CCCC1 ZINC001591196782 992013628 /nfs/dbraw/zinc/01/36/28/992013628.db2.gz MOAJHRXFVJHEOQ-UTKZUKDTSA-N -1 0 343.467 3.968 20 0 EHADRM CC(C)CC[C@@H](NC(=O)NC[C@H](CC(=O)[O-])C1CC1)C(C)(C)C ZINC001591221807 992089311 /nfs/dbraw/zinc/08/93/11/992089311.db2.gz PAKIKKXLDZQQJY-LSDHHAIUSA-N -1 0 326.481 3.637 20 0 EHADRM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)NCCc1ccccc1C(=O)[O-] ZINC001591223344 992095290 /nfs/dbraw/zinc/09/52/90/992095290.db2.gz YAPHEEONCVBGTN-FUHWJXTLSA-N -1 0 346.471 3.831 20 0 EHADRM CC(C)CCC[C@H](C)N(CCC(C)C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001591228754 992107092 /nfs/dbraw/zinc/10/70/92/992107092.db2.gz JBQLILGBVBEYEO-BBWFWOEESA-N -1 0 341.492 3.708 20 0 EHADRM CC(C)CCn1c2ccccc2nc1SCC(=O)CCC(=O)[O-] ZINC001591274622 992196135 /nfs/dbraw/zinc/19/61/35/992196135.db2.gz VMSFMUWZEAQCNQ-UHFFFAOYSA-N -1 0 334.441 3.608 20 0 EHADRM CC(C)CN(C(=O)[C@@H](C)c1ccc(Cl)cc1)C(C)(C)C(=O)[O-] ZINC001591281461 992215521 /nfs/dbraw/zinc/21/55/21/992215521.db2.gz OODGXOAMCTVBGM-LBPRGKRZSA-N -1 0 325.836 3.791 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)CCCc1ccccc1Cl ZINC001591323916 992298554 /nfs/dbraw/zinc/29/85/54/992298554.db2.gz ZKALYWUVYVHALF-UHFFFAOYSA-N -1 0 325.836 3.622 20 0 EHADRM C[S@](=O)c1ccc(N[C@H]2CCC[C@@H](CCCC(=O)[O-])C2)cc1F ZINC001599780750 992360759 /nfs/dbraw/zinc/36/07/59/992360759.db2.gz VCFWSQMSDIJADF-XCMOZONUSA-N -1 0 341.448 3.789 20 0 EHADRM CS[C@@H](C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1)c1ccccc1 ZINC001599781652 992372357 /nfs/dbraw/zinc/37/23/57/992372357.db2.gz UVHBDSLXENKXKA-GFCCVEGCSA-N -1 0 348.449 3.762 20 0 EHADRM Cc1ccc(Cc2n[n-]c(=NC(=O)N3C[C@@H](C)CC[C@H]3C)s2)cc1 ZINC000510139468 1015705868 /nfs/dbraw/zinc/70/58/68/1015705868.db2.gz JWWRQLAPGGUKTP-UONOGXRCSA-N -1 0 344.484 3.512 20 0 EHADRM CN(CCOc1ccccc1C(C)(C)C)Cc1ncc(C(=O)[O-])s1 ZINC001598499972 992421437 /nfs/dbraw/zinc/42/14/37/992421437.db2.gz WUINNJQGXFXCHU-UHFFFAOYSA-N -1 0 348.468 3.650 20 0 EHADRM CC(C)COCCC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1Cl ZINC001591390289 992441489 /nfs/dbraw/zinc/44/14/89/992441489.db2.gz RUNJCBLXRSMATE-UHFFFAOYSA-N -1 0 334.199 3.693 20 0 EHADRM CC(C)COc1cccc(NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC001591402173 992482293 /nfs/dbraw/zinc/48/22/93/992482293.db2.gz UJFONBZCTLYWTI-OAHLLOKOSA-N -1 0 348.443 3.830 20 0 EHADRM CC(C)COc1ncccc1C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC001591414314 992489316 /nfs/dbraw/zinc/48/93/16/992489316.db2.gz GFAWNVDGGBKXTC-ZDUSSCGKSA-N -1 0 342.395 3.557 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)Nc1ccc(C2CCC2)cn1 ZINC001598512778 992580911 /nfs/dbraw/zinc/58/09/11/992580911.db2.gz XLPIXJSWDOJECE-UHFFFAOYSA-N -1 0 339.395 3.711 20 0 EHADRM CC(C)Cc1ccc(CCCC(=O)N[C@](C)(CC(=O)[O-])C2CC2)cc1 ZINC001591483444 992602879 /nfs/dbraw/zinc/60/28/79/992602879.db2.gz GLYHWDYSQDBAIW-OAQYLSRUSA-N -1 0 345.483 3.967 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)N[C@@](C)(CC(=O)[O-])C2CC2)c1 ZINC001591489365 992619773 /nfs/dbraw/zinc/61/97/73/992619773.db2.gz QPIRCZZQKQLGII-VLIAUNLRSA-N -1 0 331.456 3.748 20 0 EHADRM CC(C)Cc1nc(C(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)cs1 ZINC001591497171 992631933 /nfs/dbraw/zinc/63/19/33/992631933.db2.gz VNSYELMCSPTWJS-UHFFFAOYSA-N -1 0 339.800 3.912 20 0 EHADRM CN(Cc1ccc(/C=C/C(=O)[O-])o1)Cc1nc2ccccc2s1 ZINC001598518401 992647457 /nfs/dbraw/zinc/64/74/57/992647457.db2.gz YZCXHYKLEALNPD-CMDGGOBGSA-N -1 0 328.393 3.619 20 0 EHADRM CN(Cc1ccc2ccccc2c1)C(=O)c1cccc(CC(=O)[O-])c1 ZINC001598524362 992700606 /nfs/dbraw/zinc/70/06/06/992700606.db2.gz BQJHPTFLTABEAZ-UHFFFAOYSA-N -1 0 333.387 3.739 20 0 EHADRM CC(C)Cn1nccc1C=C(Cl)c1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001591533723 992712656 /nfs/dbraw/zinc/71/26/56/992712656.db2.gz XYWTWVKNJAEDSF-MDWZMJQESA-N -1 0 344.802 3.851 20 0 EHADRM CN(Cc1ccc2cc[nH]c2c1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001598525856 992719570 /nfs/dbraw/zinc/71/95/70/992719570.db2.gz SRYFSFOFANAAFQ-UHFFFAOYSA-N -1 0 329.381 3.592 20 0 EHADRM CN(Cc1ccccc1-c1ccccc1)C(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001598529509 992761295 /nfs/dbraw/zinc/76/12/95/992761295.db2.gz BEASJSGAADIKRP-UHFFFAOYSA-N -1 0 334.375 3.652 20 0 EHADRM CN(Cc1ccco1)C(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001598532180 992795854 /nfs/dbraw/zinc/79/58/54/992795854.db2.gz VDTNQISEEXVYSL-UHFFFAOYSA-N -1 0 330.365 3.856 20 0 EHADRM CC(C)N(Cc1cccc(F)c1)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001591600652 992832334 /nfs/dbraw/zinc/83/23/34/992832334.db2.gz RWADWKNCYCBGSS-VQHVLOKHSA-N -1 0 331.343 3.567 20 0 EHADRM CN(Cc1nc(Cl)ccc1Cl)[C@H](C(=O)[O-])c1ccccc1 ZINC001598537082 992852259 /nfs/dbraw/zinc/85/22/59/992852259.db2.gz MCWRZXJTMOAOLW-AWEZNQCLSA-N -1 0 325.195 3.646 20 0 EHADRM CN(Cc1nccc(Cl)c1Cl)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598538442 992869278 /nfs/dbraw/zinc/86/92/78/992869278.db2.gz GBRDLZOLIUGRAZ-CQSZACIVSA-N -1 0 325.195 3.646 20 0 EHADRM COc1ccc(NCc2ccc(C(=O)[O-])n2C)cc1OC1CCCC1 ZINC001599596961 993760450 /nfs/dbraw/zinc/76/04/50/993760450.db2.gz CDVFTSRJVLOGBZ-UHFFFAOYSA-N -1 0 344.411 3.665 20 0 EHADRM COc1ccc(NCc2csc(C(=O)[O-])c2)c(Br)c1 ZINC001599597289 993765125 /nfs/dbraw/zinc/76/51/25/993765125.db2.gz PCSOITACHZEFFB-UHFFFAOYSA-N -1 0 342.214 3.830 20 0 EHADRM COc1ccc(OC)c([C@@H](C)NCc2cccc(C(=O)[O-])c2Cl)c1 ZINC001599602337 993834055 /nfs/dbraw/zinc/83/40/55/993834055.db2.gz MBKHVDXZRQDYKY-LLVKDONJSA-N -1 0 349.814 3.906 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccc(Cl)c(F)c1 ZINC001593155490 993967918 /nfs/dbraw/zinc/96/79/18/993967918.db2.gz CANVUGZNTDGXDI-MRVPVSSYSA-N -1 0 339.725 3.807 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1F)c1nc2ccccc2s1 ZINC001593159878 993989364 /nfs/dbraw/zinc/98/93/64/993989364.db2.gz QQIWVKUEDSBGRA-SECBINFHSA-N -1 0 344.367 3.625 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])s1)c1ccc2ncsc2c1 ZINC001593159903 993989473 /nfs/dbraw/zinc/98/94/73/993989473.db2.gz RCJQRICHKRLDLF-QMMMGPOBSA-N -1 0 332.406 3.547 20 0 EHADRM COc1ccc(SCCCC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001599619223 994058448 /nfs/dbraw/zinc/05/84/48/994058448.db2.gz JPKSMWCLWVENAE-UHFFFAOYSA-N -1 0 345.420 3.904 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2ccc(F)cc2C(=O)[O-])cc1 ZINC001599620529 994073823 /nfs/dbraw/zinc/07/38/23/994073823.db2.gz LDTMPSFZXYAQOL-WFASDCNBSA-N -1 0 343.354 3.665 20 0 EHADRM COc1ccc([C@H](C)NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1C ZINC001599621325 994087863 /nfs/dbraw/zinc/08/78/63/994087863.db2.gz QLOBCTGXPJJPJC-NSHDSACASA-N -1 0 346.358 3.724 20 0 EHADRM COc1ccc2c(c1)[C@@H](C(=O)Oc1cc(Cl)ccc1C(=O)[O-])CC2 ZINC001599624652 994130996 /nfs/dbraw/zinc/13/09/96/994130996.db2.gz HTJJRWLYZHMBHK-ZDUSSCGKSA-N -1 0 346.766 3.682 20 0 EHADRM COc1ccc2c(c1)[C@@H](C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1)CCC2 ZINC001599625126 994137417 /nfs/dbraw/zinc/13/74/17/994137417.db2.gz LFRBGHDOEQHHBS-RISCZKNCSA-N -1 0 344.363 3.711 20 0 EHADRM COc1ccc2c(CC(=O)O[C@H](C)c3ccc(C(=O)[O-])o3)coc2c1 ZINC001599625434 994141517 /nfs/dbraw/zinc/14/15/17/994141517.db2.gz ILSJKEVRUXPAMD-SNVBAGLBSA-N -1 0 344.319 3.580 20 0 EHADRM COc1ccc2c(CC(=O)Oc3cc(C(=O)[O-])ccc3C)coc2c1 ZINC001599626495 994157204 /nfs/dbraw/zinc/15/72/04/994157204.db2.gz VFJCXCFOGJMNCT-UHFFFAOYSA-N -1 0 340.331 3.596 20 0 EHADRM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1)c1cscn1 ZINC001593197351 994162866 /nfs/dbraw/zinc/16/28/66/994162866.db2.gz ZVTBGAZTBLNXFT-PRHODGIISA-N -1 0 330.331 3.638 20 0 EHADRM COc1ccc2c(c1)C[C@@H](Nc1ccc([C@@H]3C[C@H]3C(=O)[O-])cc1)CC2 ZINC001599627411 994169056 /nfs/dbraw/zinc/16/90/56/994169056.db2.gz YENDCIGKFHMDDJ-YSIASYRMSA-N -1 0 337.419 3.853 20 0 EHADRM C[C@H](N[C@@H](C)c1ccc(OCC(=O)[O-])cc1)c1ncc(C(C)(C)C)o1 ZINC001593203472 994187033 /nfs/dbraw/zinc/18/70/33/994187033.db2.gz FAYHYNWOLXHIQK-STQMWFEESA-N -1 0 346.427 3.847 20 0 EHADRM C[C@@H](N[C@@H](C)c1nc(C(=O)[O-])co1)c1ccc(OCC2CC2)c(F)c1 ZINC001593203764 994190257 /nfs/dbraw/zinc/19/02/57/994190257.db2.gz HKLAPMNCGPOSOD-MNOVXSKESA-N -1 0 348.374 3.713 20 0 EHADRM COc1ccc2c(c1)N(Cc1cc(C(=O)[O-])sc1C)C[C@@H](C)O2 ZINC001599630156 994205433 /nfs/dbraw/zinc/20/54/33/994205433.db2.gz TWKNWUJWLVECNH-SNVBAGLBSA-N -1 0 333.409 3.551 20 0 EHADRM C[C@H](N[C@@H](C)c1ccc(OC(F)F)cc1)c1ncc(C(=O)[O-])s1 ZINC001593205157 994209650 /nfs/dbraw/zinc/20/96/50/994209650.db2.gz YFCMLQHVOMMOKN-IUCAKERBSA-N -1 0 342.367 3.855 20 0 EHADRM COc1ccc2cc(NC(=O)/C=C\c3ccc(C(=O)[O-])o3)ccc2c1 ZINC001599634382 994265044 /nfs/dbraw/zinc/26/50/44/994265044.db2.gz MOXOAQCUZYNROJ-CLFYSBASSA-N -1 0 337.331 3.792 20 0 EHADRM COc1ccc2cc(C(=O)O[C@@H](C(=O)[O-])c3ccsc3)ccc2c1 ZINC001599635486 994281411 /nfs/dbraw/zinc/28/14/11/994281411.db2.gz PTSUNBBXXOTZEP-MRXNPFEDSA-N -1 0 342.372 3.893 20 0 EHADRM COc1ccc2occ(C(=O)Nc3ccc(F)c(C(=O)[O-])c3C)c2c1 ZINC001599637344 994308341 /nfs/dbraw/zinc/30/83/41/994308341.db2.gz IZFLAESXHCDCAW-UHFFFAOYSA-N -1 0 343.310 3.839 20 0 EHADRM Cc1cc2cccnc2c([N-]S(=O)(=O)c2cccc3cccnc32)c1 ZINC000180087572 1015853852 /nfs/dbraw/zinc/85/38/52/1015853852.db2.gz GEYZGOCHGKCHON-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCc3ccccc3C2)cc1 ZINC000076756200 1015855558 /nfs/dbraw/zinc/85/55/58/1015855558.db2.gz ZASXHMVLWPGWOR-IBGZPJMESA-N -1 0 343.448 3.835 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)c1cc(SC)ccc1C ZINC001599643211 994388039 /nfs/dbraw/zinc/38/80/39/994388039.db2.gz BSMAHLFFVKCJIC-UHFFFAOYSA-N -1 0 345.420 3.700 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)/C(C)=C/c1ccc(C)cc1 ZINC001599644116 994401302 /nfs/dbraw/zinc/40/13/02/994401302.db2.gz FVOVCKCXHIDROW-WYMLVPIESA-N -1 0 339.391 3.768 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)CC[C@H](C)c1ccccc1 ZINC001599645223 994416114 /nfs/dbraw/zinc/41/61/14/994416114.db2.gz HQRHLPVFQCYNEA-AWEZNQCLSA-N -1 0 341.407 3.940 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)CCc1cc(C)cc(C)c1 ZINC001599645846 994423785 /nfs/dbraw/zinc/42/37/85/994423785.db2.gz MYANOMJNDLEWFK-UHFFFAOYSA-N -1 0 341.407 3.606 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)C[C@@H](C)c1ccccc1 ZINC001599646172 994427862 /nfs/dbraw/zinc/42/78/62/994427862.db2.gz RBFSABKSSPRPAR-CYBMUJFWSA-N -1 0 327.380 3.550 20 0 EHADRM COc1cccc([C@H](C(=O)[O-])N(C)C(=O)C[C@@H](C)CC(C)(C)C)c1 ZINC001599648465 994459230 /nfs/dbraw/zinc/45/92/30/994459230.db2.gz WDBLFNFAWOYDMU-CXAGYDPISA-N -1 0 335.444 3.742 20 0 EHADRM COc1cccc(C(C)(C)C(=O)Nc2ccc(F)c(C(=O)[O-])c2C)c1 ZINC001599648720 994463158 /nfs/dbraw/zinc/46/31/58/994463158.db2.gz CAEQKKGZZOHQPE-UHFFFAOYSA-N -1 0 345.370 3.757 20 0 EHADRM COc1cccc(/C(C)=C/C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c1 ZINC001599654100 994551349 /nfs/dbraw/zinc/55/13/49/994551349.db2.gz FZXOZDBLUMQROX-JWAFFJSPSA-N -1 0 339.391 3.925 20 0 EHADRM COc1cccc(/C(C)=C/C(=O)Nc2cc(C)cc(C(=O)[O-])c2)c1 ZINC001599654366 994554193 /nfs/dbraw/zinc/55/41/93/994554193.db2.gz NDDAYQLKGNGPKU-UKTHLTGXSA-N -1 0 325.364 3.744 20 0 EHADRM COc1cccc([C@@H](C)C(=O)OCc2cc(C(=O)[O-])ccc2Cl)c1 ZINC001599654565 994557226 /nfs/dbraw/zinc/55/72/26/994557226.db2.gz RNPVFGYOIWCFRM-LLVKDONJSA-N -1 0 348.782 3.894 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)OCc2ccccc2C(=O)[O-])c1 ZINC001599655172 994567433 /nfs/dbraw/zinc/56/74/33/994567433.db2.gz KPWYUVNOXZMKIM-ZDUSSCGKSA-N -1 0 328.364 3.630 20 0 EHADRM COc1cccc([C@@H](C)CCCC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)c1 ZINC001599655723 994576094 /nfs/dbraw/zinc/57/60/94/994576094.db2.gz YDVMZNQUWXHEPB-UXLLHSPISA-N -1 0 347.455 3.729 20 0 EHADRM C[C@@H](NCc1cc(C(=O)[O-])cs1)c1nc(C2CCCCC2)no1 ZINC001593288914 994660637 /nfs/dbraw/zinc/66/06/37/994660637.db2.gz NXAOCJMGXUWJKN-SNVBAGLBSA-N -1 0 335.429 3.728 20 0 EHADRM COc1cccc(C[C@H](C)CC(=O)Nc2sc(C)cc2C(=O)[O-])c1 ZINC001599665896 994729429 /nfs/dbraw/zinc/72/94/29/994729429.db2.gz LVLSWWDFORCULR-NSHDSACASA-N -1 0 347.436 3.971 20 0 EHADRM COc1cccc(COC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])c1 ZINC001599675307 994887006 /nfs/dbraw/zinc/88/70/06/994887006.db2.gz DUSLXILWNISQAT-LBPRGKRZSA-N -1 0 346.404 3.617 20 0 EHADRM CO/C(=C\c1ccccc1)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001598683740 994974285 /nfs/dbraw/zinc/97/42/85/994974285.db2.gz BYAQJHIPFBROKB-AUWJEWJLSA-N -1 0 349.745 3.803 20 0 EHADRM COc1cccc(OC)c1OCCCCOc1cccc(C(=O)[O-])c1 ZINC001599682159 994999964 /nfs/dbraw/zinc/99/99/64/994999964.db2.gz MWOLUVIAQMGWPV-UHFFFAOYSA-N -1 0 346.379 3.640 20 0 EHADRM COC(=O)[C@H](Cc1ccc(C)cc1)S[C@H](C)c1ccc(C(=O)[O-])o1 ZINC001598705596 995282515 /nfs/dbraw/zinc/28/25/15/995282515.db2.gz WDFDURRKCLSPOY-WBMJQRKESA-N -1 0 348.420 3.865 20 0 EHADRM COC(=O)[C@H](SC[C@H]1CC1(Cl)Cl)c1cccc(C(=O)[O-])c1 ZINC001598710900 995347357 /nfs/dbraw/zinc/34/73/57/995347357.db2.gz HTNKUXCQJQAWET-GHMZBOCLSA-N -1 0 349.235 3.526 20 0 EHADRM COC(=O)[C@H](SC[C@H](C)C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001598713581 995377024 /nfs/dbraw/zinc/37/70/24/995377024.db2.gz WGOGAYCMBKCHCO-WRWORJQWSA-N -1 0 337.224 3.661 20 0 EHADRM COC(=O)[C@H](SCCCc1ccccc1)c1cccc(C(=O)[O-])c1 ZINC001598713737 995379656 /nfs/dbraw/zinc/37/96/56/995379656.db2.gz XRWRBXHIDIHESC-QGZVFWFLSA-N -1 0 344.432 3.965 20 0 EHADRM C[C@@H](OC(=O)C1(C(=O)[O-])CC1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001593490772 995457368 /nfs/dbraw/zinc/45/73/68/995457368.db2.gz HAPHQMPXVVUILE-SSDOTTSWSA-N -1 0 336.693 3.828 20 0 EHADRM C[C@H](OC(=O)C[C@@]12CCCC[C@@H]1C2(F)F)c1ccc(C(=O)[O-])o1 ZINC001593513717 995526435 /nfs/dbraw/zinc/52/64/35/995526435.db2.gz FSQNHBHSFPECKG-FMSQNYNMSA-N -1 0 328.311 3.798 20 0 EHADRM O=C(Nc1cccc(C(F)F)c1)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000339927230 1015957069 /nfs/dbraw/zinc/95/70/69/1015957069.db2.gz WFENAJKBJDZIAG-UHFFFAOYSA-N -1 0 347.296 3.907 20 0 EHADRM C[C@H](OC(=O)c1cc(-c2ccccc2)ccn1)c1cc(C(=O)[O-])co1 ZINC001593552659 995630993 /nfs/dbraw/zinc/63/09/93/995630993.db2.gz DZPILIJHRPDEOP-LBPRGKRZSA-N -1 0 337.331 3.958 20 0 EHADRM C[C@@H](OC(=O)c1c(F)ccc(F)c1Cl)c1cc(C(=O)[O-])co1 ZINC001593552867 995632381 /nfs/dbraw/zinc/63/23/81/995632381.db2.gz HOTLILIAVYWVTN-ZCFIWIBFSA-N -1 0 330.670 3.827 20 0 EHADRM C[C@H](OC(=O)c1cc(C(=O)[O-])ccc1Cl)c1cccc2c1OCO2 ZINC001593556318 995641079 /nfs/dbraw/zinc/64/10/79/995641079.db2.gz HCMFLSXJVLFCTL-VIFPVBQESA-N -1 0 348.738 3.685 20 0 EHADRM C[C@@H](OC(=O)c1cc(O)ccc1C(F)(F)F)c1ccc(C(=O)[O-])o1 ZINC001593564987 995658574 /nfs/dbraw/zinc/65/85/74/995658574.db2.gz OBSLSFLBSRGHOZ-SSDOTTSWSA-N -1 0 344.241 3.620 20 0 EHADRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])o1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC001593575776 995684671 /nfs/dbraw/zinc/68/46/71/995684671.db2.gz XOCDSIHPTPEKPP-LLVKDONJSA-N -1 0 344.363 3.704 20 0 EHADRM C[C@H](OC(=O)c1ccc([C@@H]2CCCOC2)cc1)c1cc(C(=O)[O-])co1 ZINC001593578586 995687154 /nfs/dbraw/zinc/68/71/54/995687154.db2.gz DPKDYXOPHHQGJU-SWLSCSKDSA-N -1 0 344.363 3.790 20 0 EHADRM C[C@H](OC1CCCCC1)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC001593602780 995764948 /nfs/dbraw/zinc/76/49/48/995764948.db2.gz KFTAEWWTTNYWTQ-JTQLQIEISA-N -1 0 325.792 3.715 20 0 EHADRM CC(C)c1sc(NC(=O)[C@@H](C)OC2CCCCC2)nc1C(=O)[O-] ZINC001593603702 995773059 /nfs/dbraw/zinc/77/30/59/995773059.db2.gz ZSHQCBMRRBKONE-SNVBAGLBSA-N -1 0 340.445 3.641 20 0 EHADRM C[C@H](Oc1ccc(CN2CCc3cccc(F)c3[C@@H]2C)cc1)C(=O)[O-] ZINC001593615649 995837228 /nfs/dbraw/zinc/83/72/28/995837228.db2.gz NTSIIBSXHNESBD-KBPBESRZSA-N -1 0 343.398 3.797 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)CCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000037448200 1015987768 /nfs/dbraw/zinc/98/77/68/1015987768.db2.gz IKGNUHMSIBTMEG-YMTOWFKASA-N -1 0 332.227 3.542 20 0 EHADRM C[C@@H](OC(=O)[C@H](C)Oc1ccccc1Cl)c1ccc(C(=O)[O-])o1 ZINC001593651904 996014470 /nfs/dbraw/zinc/01/44/70/996014470.db2.gz SFKUNIDAYLWXHP-ZJUUUORDSA-N -1 0 338.743 3.703 20 0 EHADRM C[C@@H](Oc1ccccc1F)c1nnc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001593651992 996015309 /nfs/dbraw/zinc/01/53/09/996015309.db2.gz UWZKTSFCAAIPNK-SNVBAGLBSA-N -1 0 328.299 3.714 20 0 EHADRM C[C@H](SCc1csc(C(=O)[O-])c1)C(=O)N1CCc2ccccc21 ZINC001593663315 996044898 /nfs/dbraw/zinc/04/48/98/996044898.db2.gz LMAKHDJDBWKMNT-NSHDSACASA-N -1 0 347.461 3.657 20 0 EHADRM COC(=O)[C@@H]1CCCC[C@@H]1CSc1nc2ccc(C(=O)[O-])cc2o1 ZINC001598788227 996048718 /nfs/dbraw/zinc/04/87/18/996048718.db2.gz ODXDPONFFGDWNK-VXGBXAGGSA-N -1 0 349.408 3.598 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)OCC1(CC(=O)[O-])CC1 ZINC001593664264 996050110 /nfs/dbraw/zinc/05/01/10/996050110.db2.gz KNJYIWRIWTVLBP-SNVBAGLBSA-N -1 0 328.817 3.619 20 0 EHADRM C[C@H](Sc1ccc(F)cc1)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001593667056 996055087 /nfs/dbraw/zinc/05/50/87/996055087.db2.gz JJMWIWRCKDMBQZ-XHDPSFHLSA-N -1 0 345.395 3.521 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)N([C@@H](C)C(=O)[O-])C1CCC1 ZINC001593673216 996083168 /nfs/dbraw/zinc/08/31/68/996083168.db2.gz HWJXIKPVVWQEOW-QWRGUYRKSA-N -1 0 341.860 3.675 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)NCc1ccccc1C(=O)[O-] ZINC001593674198 996088435 /nfs/dbraw/zinc/08/84/35/996088435.db2.gz XBOWHBJOQKJNJY-LLVKDONJSA-N -1 0 349.839 3.835 20 0 EHADRM C[C@H](Sc1ccnc(C(=O)[O-])n1)c1cccc(Br)c1 ZINC001593680133 996106501 /nfs/dbraw/zinc/10/65/01/996106501.db2.gz UURRUBKFSRZDGV-QMMMGPOBSA-N -1 0 339.214 3.791 20 0 EHADRM C[C@H](c1ccc(C(=O)Nc2ccc(C(=O)[O-])nc2)cc1)C(F)(F)F ZINC001593686059 996120977 /nfs/dbraw/zinc/12/09/77/996120977.db2.gz MRGSSOWHUOKKBS-SECBINFHSA-N -1 0 338.285 3.698 20 0 EHADRM C[C@@H](c1c(F)cccc1F)N1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001593686350 996122606 /nfs/dbraw/zinc/12/26/06/996122606.db2.gz KDUFRRKCIPWHSV-NSHDSACASA-N -1 0 333.334 3.619 20 0 EHADRM C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1cccc(CC(=O)[O-])c1 ZINC001593687892 996128775 /nfs/dbraw/zinc/12/87/75/996128775.db2.gz VJVBGMTVIONHGV-CYBMUJFWSA-N -1 0 337.375 3.893 20 0 EHADRM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc(C(=O)[O-])on1 ZINC001593693791 996146439 /nfs/dbraw/zinc/14/64/39/996146439.db2.gz QJRNBJWVALMALK-SSDOTTSWSA-N -1 0 343.166 3.513 20 0 EHADRM C[C@@H](CC(=O)N(CCC(=O)[O-])CC1CC1)Cc1ccc(Cl)cc1 ZINC000683304413 1016024917 /nfs/dbraw/zinc/02/49/17/1016024917.db2.gz KKXRSQXURGZADU-CYBMUJFWSA-N -1 0 337.847 3.622 20 0 EHADRM C[C@H](c1ncc(C(=O)[O-])s1)N1CCc2c(Cl)cc(F)cc2C1 ZINC001593738077 996343059 /nfs/dbraw/zinc/34/30/59/996343059.db2.gz WMJMYFBQPDKLPI-MRVPVSSYSA-N -1 0 340.807 3.753 20 0 EHADRM C[C@]1(C(=O)Nc2ccc(Oc3ccnc(C(=O)[O-])c3)cc2)CC1(F)F ZINC001593760154 996418090 /nfs/dbraw/zinc/41/80/90/996418090.db2.gz RMGVPABFSHDDBE-MRXNPFEDSA-N -1 0 348.305 3.556 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)Nc2cc(Cl)cc(Cl)c2F)C1 ZINC001593771378 996464126 /nfs/dbraw/zinc/46/41/26/996464126.db2.gz QAJDMTIYCHVESI-AWEZNQCLSA-N -1 0 349.189 3.851 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)Nc2cc(C(F)F)ccc2Cl)C1 ZINC001593771752 996466822 /nfs/dbraw/zinc/46/68/22/996466822.db2.gz XVYHFCKXUPUEOE-HNNXBMFYSA-N -1 0 346.761 3.996 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC001593772920 996470051 /nfs/dbraw/zinc/47/00/51/996470051.db2.gz MUCBLCKNPXOJRE-AWEZNQCLSA-N -1 0 349.736 3.686 20 0 EHADRM CC1(C(=O)[O-])CN(C(=O)[C@@H]2CCCC[C@H]2c2cccc(Cl)c2)C1 ZINC001593802915 996532089 /nfs/dbraw/zinc/53/20/89/996532089.db2.gz OYSPRMBCFLRHKY-LSDHHAIUSA-N -1 0 335.831 3.547 20 0 EHADRM CC1(C)CC(C(=O)O[C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)C1 ZINC001593848632 996620753 /nfs/dbraw/zinc/62/07/53/996620753.db2.gz VYVYWOLXWDBNKD-LBPRGKRZSA-N -1 0 330.302 3.968 20 0 EHADRM CC1(C)CCC(=CC(=O)N2CCOc3cc(C(=O)[O-])ccc3C2)CC1 ZINC001593870890 996681804 /nfs/dbraw/zinc/68/18/04/996681804.db2.gz KGFPUIQUIDRXLY-UHFFFAOYSA-N -1 0 343.423 3.632 20 0 EHADRM CC1(C)CC[C@H](C(=O)Nc2cc(C(F)(F)F)cnc2C(=O)[O-])C1 ZINC001593875161 996694051 /nfs/dbraw/zinc/69/40/51/996694051.db2.gz ZZSXASKRGOYNDQ-QMMMGPOBSA-N -1 0 330.306 3.563 20 0 EHADRM CC1(C)CC[C@H](CC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)OC1 ZINC001593876623 996697742 /nfs/dbraw/zinc/69/77/42/996697742.db2.gz OVLDPNVAIMRRCO-SECBINFHSA-N -1 0 343.782 3.711 20 0 EHADRM CC1(C)CC[C@@H]1C(=O)N[C@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001593883797 996718700 /nfs/dbraw/zinc/71/87/00/996718700.db2.gz UOGKQGQFAMPEDJ-USXIJHARSA-N -1 0 329.440 3.502 20 0 EHADRM CS[C@H]1CCC[C@H](NC(=O)c2cccc(Br)c2[O-])C1 ZINC000536689858 1032137400 /nfs/dbraw/zinc/13/74/00/1032137400.db2.gz FBUYQULGACZRHO-UWVGGRQHSA-N -1 0 344.274 3.559 20 0 EHADRM CC1(C)CCC[C@](NC(=O)CCc2ccc3[nH]ccc3c2)(C(=O)[O-])C1 ZINC001593891057 996735395 /nfs/dbraw/zinc/73/53/95/996735395.db2.gz INKKKRAIYCKDQX-HXUWFJFHSA-N -1 0 342.439 3.640 20 0 EHADRM CC1(C)CCC[C@](NC(=O)[C@H]2Cc3ccc(Cl)cc32)(C(=O)[O-])C1 ZINC001593891826 996738154 /nfs/dbraw/zinc/73/81/54/996738154.db2.gz OCHCZBMENHXVEY-KBXCAEBGSA-N -1 0 335.831 3.520 20 0 EHADRM CC1(C)CCC[C@](O)(CNc2ncc(C(=O)[O-])cc2Cl)CC1 ZINC001593896795 996755031 /nfs/dbraw/zinc/75/50/31/996755031.db2.gz BQWOJKIQFJLJKK-MRXNPFEDSA-N -1 0 326.824 3.567 20 0 EHADRM CC1(C)CCC[C@H]1[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC001593897003 996756441 /nfs/dbraw/zinc/75/64/41/996756441.db2.gz HOXKYULMVUZBEL-ZFWWWQNUSA-N -1 0 333.403 3.812 20 0 EHADRM CC1(C)CCc2cccc(NC(=O)C34CCC(C(=O)[O-])(CC3)C4)c2O1 ZINC001593915661 996812281 /nfs/dbraw/zinc/81/22/81/996812281.db2.gz BHSDTOWNCNGPCH-UHFFFAOYSA-N -1 0 343.423 3.764 20 0 EHADRM COc1ccc(C(=O)Nc2c(C)sc(C)c2C(=O)[O-])c(C)c1OC ZINC001599485630 996843778 /nfs/dbraw/zinc/84/37/78/996843778.db2.gz BOMNYVLMOLHWRZ-UHFFFAOYSA-N -1 0 349.408 3.641 20 0 EHADRM CC1(C)CCc2onc(C(=O)Nc3cc(Cl)cc(C(=O)[O-])c3)c2C1 ZINC001593924463 996849657 /nfs/dbraw/zinc/84/96/57/996849657.db2.gz KPBSSCIQKYFYDC-UHFFFAOYSA-N -1 0 348.786 3.793 20 0 EHADRM CC1(C)CN(C(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)c2ccccc21 ZINC001593926646 996857939 /nfs/dbraw/zinc/85/79/39/996857939.db2.gz FSWQKWVVFJQIFQ-HRAATJIYSA-N -1 0 335.403 3.569 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)[C@H](C)SCc2ccccc2)c1 ZINC001599491482 996946880 /nfs/dbraw/zinc/94/68/80/996946880.db2.gz YEVPBBRSQJFBAX-LBPRGKRZSA-N -1 0 346.404 3.621 20 0 EHADRM COc1cc(C)c(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)c(C)c1C ZINC001599391411 997043945 /nfs/dbraw/zinc/04/39/45/997043945.db2.gz VLKXVUGOZVVJSG-SOFGYWHQSA-N -1 0 329.352 3.564 20 0 EHADRM COc1cc(C)c(NCc2ccc(C(=O)[O-])c(Cl)c2)cc1OC ZINC001599392259 997059349 /nfs/dbraw/zinc/05/93/49/997059349.db2.gz CHGVIZVPWDIGSI-UHFFFAOYSA-N -1 0 335.787 3.976 20 0 EHADRM CC1(C)COc2ccc(C(=O)Nc3cc(C(=O)[O-])ccc3Cl)cc21 ZINC001593960944 997083866 /nfs/dbraw/zinc/08/38/66/997083866.db2.gz RMXLDHJLOFNQNG-UHFFFAOYSA-N -1 0 345.782 3.961 20 0 EHADRM COc1ccc(C(=O)[O-])cc1CSCc1nc2ccccc2[nH]1 ZINC001599499577 997088924 /nfs/dbraw/zinc/08/89/24/997088924.db2.gz LIBCKKQJIOFWTC-UHFFFAOYSA-N -1 0 328.393 3.703 20 0 EHADRM COc1cc(C)ccc1-c1noc(CCc2ccccc2C(=O)[O-])n1 ZINC001599393845 997089004 /nfs/dbraw/zinc/08/90/04/997089004.db2.gz JUSORINJSKCFEF-UHFFFAOYSA-N -1 0 338.363 3.537 20 0 EHADRM COCc1ccc(CN2CCC[C@H]2c2nc(C(=O)[O-])c(C)s2)cc1 ZINC001599294717 997119449 /nfs/dbraw/zinc/11/94/49/997119449.db2.gz WXRPHPUKUSVDRJ-HNNXBMFYSA-N -1 0 346.452 3.633 20 0 EHADRM COc1ccc(C(C)(C)C(=O)O[C@H](C)c2cc(C(=O)[O-])co2)cc1 ZINC001599504221 997183302 /nfs/dbraw/zinc/18/33/02/997183302.db2.gz BJICCKRQNKNCAQ-LLVKDONJSA-N -1 0 332.352 3.568 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC[C@@H]1CC2(CO1)CCCCC2 ZINC001599400724 997210252 /nfs/dbraw/zinc/21/02/52/997210252.db2.gz RNIQOPUYTWAZPK-BVBGJJFLSA-N -1 0 346.423 3.911 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001599401388 997220611 /nfs/dbraw/zinc/22/06/11/997220611.db2.gz WXIYFYSKXDIIJR-AJHXJQRKSA-N -1 0 330.380 3.835 20 0 EHADRM COCc1nc(CNc2cccc3cc(C(=O)[O-])sc32)cs1 ZINC001599300753 997228304 /nfs/dbraw/zinc/22/83/04/997228304.db2.gz NYIMSPCSXJRGMK-UHFFFAOYSA-N -1 0 334.422 3.815 20 0 EHADRM COc1ccc(/C(C)=C\C(=O)NC2(CCC(=O)[O-])CCCCC2)cc1 ZINC001599507095 997229279 /nfs/dbraw/zinc/22/92/79/997229279.db2.gz ZOGPQRBSSLVZMF-PFONDFGASA-N -1 0 345.439 3.782 20 0 EHADRM C[C@]1(C2CCCCC2)CCN1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001593993458 997282802 /nfs/dbraw/zinc/28/28/02/997282802.db2.gz WAVZMYSURFCYJN-HXUWFJFHSA-N -1 0 344.455 3.682 20 0 EHADRM COc1ccc([C@H](Cc2ccccc2)Nc2nccc(C(=O)[O-])n2)cc1 ZINC001599516417 997395820 /nfs/dbraw/zinc/39/58/20/997395820.db2.gz MTSZKKXUMNJKEX-SFHVURJKSA-N -1 0 349.390 3.579 20 0 EHADRM COc1cc(CNc2nc3ccc(F)cc3s2)ccc1C(=O)[O-] ZINC001599418148 997546489 /nfs/dbraw/zinc/54/64/89/997546489.db2.gz GNNMKWYKVJXWRW-UHFFFAOYSA-N -1 0 332.356 3.754 20 0 EHADRM COc1cc(Cl)cc(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)c1 ZINC001599419553 997570057 /nfs/dbraw/zinc/57/00/57/997570057.db2.gz ADAKYSZCGLXLEB-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM CO[C@@H](C(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1)c1ccccc1 ZINC001599321130 997582538 /nfs/dbraw/zinc/58/25/38/997582538.db2.gz RLAVNIYHYOKCFP-IEBWSBKVSA-N -1 0 347.455 3.694 20 0 EHADRM CO[C@H]1CCC[C@H](CC(=O)Oc2ccc(Cl)cc2C(=O)[O-])C1 ZINC001599112853 997600746 /nfs/dbraw/zinc/60/07/46/997600746.db2.gz PKRMUVUAQOWRTR-JQWIXIFHSA-N -1 0 326.776 3.539 20 0 EHADRM COc1ccc([C@@H](Nc2nc(C)cc(C(=O)[O-])n2)c2ccccc2)cc1 ZINC001599531624 997664640 /nfs/dbraw/zinc/66/46/40/997664640.db2.gz IPSLJIYNNJSLSD-SFHVURJKSA-N -1 0 349.390 3.693 20 0 EHADRM COCCC[C@@H](Cc1ccccc1)Nc1ncc(C(=O)[O-])cc1Cl ZINC001599225563 997751490 /nfs/dbraw/zinc/75/14/90/997751490.db2.gz RDARJCKOCSGFTK-HNNXBMFYSA-N -1 0 348.830 3.883 20 0 EHADRM C[C@]1(NC(=O)C[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCCC[C@@H]1C(=O)[O-] ZINC001594053767 997776457 /nfs/dbraw/zinc/77/64/57/997776457.db2.gz XXQHWJZSMHJRAL-JXFSHQFZSA-N -1 0 349.393 3.895 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1ccc(C(F)F)cc1 ZINC001599541759 997854900 /nfs/dbraw/zinc/85/49/00/997854900.db2.gz FEYYLWVDEUVHQB-YCRREMRBSA-N -1 0 348.301 3.950 20 0 EHADRM COc1cc(NC(=O)N[C@@H](c2ccccc2)C(C)C)ccc1C(=O)[O-] ZINC001599436747 997861401 /nfs/dbraw/zinc/86/14/01/997861401.db2.gz HIDIFHFYKCZTFD-QGZVFWFLSA-N -1 0 342.395 3.912 20 0 EHADRM COc1c(NC(=O)N(C)c2cc(C)cc(C)c2)cccc1C(=O)[O-] ZINC001599338674 997883592 /nfs/dbraw/zinc/88/35/92/997883592.db2.gz RLNDCHKQQHCZJM-UHFFFAOYSA-N -1 0 328.368 3.679 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)c1cnc2ccccc2c1 ZINC001599544465 997900368 /nfs/dbraw/zinc/90/03/68/997900368.db2.gz HLXLRSBTORDMOM-CLFYSBASSA-N -1 0 349.342 3.560 20 0 EHADRM COCCN(C(=O)Nc1cc(C(=O)[O-])c(C)cc1C)[C@H]1CC[C@@H](C)C1 ZINC001599233629 997907353 /nfs/dbraw/zinc/90/73/53/997907353.db2.gz ZLVGPPFPNFSKTI-DOMZBBRYSA-N -1 0 348.443 3.671 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1ccccc1Cl ZINC001599545523 997915704 /nfs/dbraw/zinc/91/57/04/997915704.db2.gz OMZYCPCXBUVFMX-VQHVLOKHSA-N -1 0 332.739 3.666 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1Oc1c(F)c(F)nc(F)c1F ZINC001599545726 997919294 /nfs/dbraw/zinc/91/92/94/997919294.db2.gz HUDRJQNDNZWPQL-HYXAFXHYSA-N -1 0 343.232 3.537 20 0 EHADRM COc1cc(NC(=O)Nc2ccc(CC(=O)[O-])cc2)c(C)cc1C ZINC001599440804 997925908 /nfs/dbraw/zinc/92/59/08/997925908.db2.gz GHBSISYQJOFPHS-UHFFFAOYSA-N -1 0 328.368 3.583 20 0 EHADRM COc1cc(NC(=O)c2c(C)occ2C(F)(F)F)ccc1C(=O)[O-] ZINC001599440883 997927849 /nfs/dbraw/zinc/92/78/49/997927849.db2.gz NDWXQXKTGXVWFN-UHFFFAOYSA-N -1 0 343.257 3.566 20 0 EHADRM COc1cc(NC(=O)c2ccc(C)c(C(=O)[O-])c2)c(OC)cc1Cl ZINC001599442113 997946047 /nfs/dbraw/zinc/94/60/47/997946047.db2.gz DHZZCCLUIVFTNC-UHFFFAOYSA-N -1 0 349.770 3.616 20 0 EHADRM COc1cc(NCc2ccc(F)c3cccnc23)ccc1C(=O)[O-] ZINC001599444209 997980885 /nfs/dbraw/zinc/98/08/85/997980885.db2.gz ZZHYDEZUIPEADF-UHFFFAOYSA-N -1 0 326.327 3.693 20 0 EHADRM CC1(c2ccccc2C(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)CC1 ZINC001594081868 997986423 /nfs/dbraw/zinc/98/64/23/997986423.db2.gz URLIQVSCDKXUIH-INIZCTEOSA-N -1 0 337.419 3.554 20 0 EHADRM COc1cc(OC(=O)/C=C\c2cc(C)c(C)cc2C)ccc1C(=O)[O-] ZINC001599446101 998012085 /nfs/dbraw/zinc/01/20/85/998012085.db2.gz SKAJKHOYQMBLQM-YVMONPNESA-N -1 0 340.375 3.937 20 0 EHADRM COc1cc(OC(=O)c2ccc(-c3ccco3)s2)ccc1C(=O)[O-] ZINC001599447747 998037362 /nfs/dbraw/zinc/03/73/62/998037362.db2.gz LRCPTYAMDGPVHZ-UHFFFAOYSA-N -1 0 344.344 3.934 20 0 EHADRM COc1ccc(CCC(=O)Nc2cccc(C(=O)[O-])c2Cl)cc1 ZINC001599553174 998044073 /nfs/dbraw/zinc/04/40/73/998044073.db2.gz XNIIDXNTHWDIBA-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM COc1cc(OC)c(N[C@@H]2CC[C@@H](CC(=O)[O-])[C@@H]2C)cc1Cl ZINC001599448726 998054327 /nfs/dbraw/zinc/05/43/27/998054327.db2.gz IEJUNJXWIWASQU-JBLDHEPKSA-N -1 0 327.808 3.659 20 0 EHADRM COc1ccc(CC[C@H](C)NC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001599553772 998055091 /nfs/dbraw/zinc/05/50/91/998055091.db2.gz VSFKEVHTDNZXRH-ZDUSSCGKSA-N -1 0 342.395 3.536 20 0 EHADRM CO[C@H]1Cc2ccc(N[C@H]3CCCc4ccc(C(=O)[O-])cc43)cc2C1 ZINC001599139029 998094635 /nfs/dbraw/zinc/09/46/35/998094635.db2.gz RHEAFZBCDRFIHO-ICSRJNTNSA-N -1 0 337.419 3.988 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3CCCC[C@H]3CC(=O)[O-])s2)o1 ZINC000683324768 1016186682 /nfs/dbraw/zinc/18/66/82/1016186682.db2.gz OEGULRBOICXKBU-LBPRGKRZSA-N -1 0 333.409 3.786 20 0 EHADRM CC1=C(C)C[C@H](C(=O)NCCc2cc3ccc(C(=O)[O-])cc3o2)CC1 ZINC001594109453 998193497 /nfs/dbraw/zinc/19/34/97/998193497.db2.gz IWFVXYWLCZGHBN-OAHLLOKOSA-N -1 0 341.407 3.926 20 0 EHADRM CC1=C(C)C[C@@H](C(=O)N2c3ccccc3C[C@H](C)[C@@H]2C(=O)[O-])CC1 ZINC001594109475 998194808 /nfs/dbraw/zinc/19/48/08/998194808.db2.gz JRYBNNUSSWPCAB-QILLFSRXSA-N -1 0 327.424 3.802 20 0 EHADRM COCC(C)(C)CC(=O)Nc1cc(C(=O)[O-])cc(Cl)c1Cl ZINC001599144990 998196762 /nfs/dbraw/zinc/19/67/62/998196762.db2.gz UDXOUXHROVAFJD-UHFFFAOYSA-N -1 0 334.199 3.693 20 0 EHADRM CC1=C(C)C[C@@H](C(=O)Nc2ccc(O[C@H](C)C(=O)[O-])c(F)c2)CC1 ZINC001594110816 998215285 /nfs/dbraw/zinc/21/52/85/998215285.db2.gz ZWJLBCSZHSQFDA-OLZOCXBDSA-N -1 0 335.375 3.753 20 0 EHADRM CC1=NN(c2ccc(C(=O)Nc3cc(C)cc(C(=O)[O-])c3)cc2)CC1 ZINC001594113260 998222538 /nfs/dbraw/zinc/22/25/38/998222538.db2.gz HBXFJWORMZRYIN-UHFFFAOYSA-N -1 0 337.379 3.532 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)c1O ZINC001599358702 998223276 /nfs/dbraw/zinc/22/32/76/998223276.db2.gz BGIKVSCTRCQDHQ-VXGBXAGGSA-N -1 0 349.427 3.890 20 0 EHADRM CC1=Nc2ccccc2C12CCN([C@@H](C)c1nc(C(=O)[O-])co1)CC2 ZINC001594120234 998265667 /nfs/dbraw/zinc/26/56/67/998265667.db2.gz BHPSDGZQJJGFLR-LBPRGKRZSA-N -1 0 339.395 3.574 20 0 EHADRM COc1cc(C(=O)[O-])cc(N[C@H](C)CCc2ccccc2F)c1OC ZINC001599361824 998273251 /nfs/dbraw/zinc/27/32/51/998273251.db2.gz AAQMGKLRCRDOEV-GFCCVEGCSA-N -1 0 347.386 3.974 20 0 EHADRM COc1cc2c(cc1Cl)CN(Cc1cc(C(=O)[O-])cs1)CC2 ZINC001599463165 998309387 /nfs/dbraw/zinc/30/93/87/998309387.db2.gz KFLCELFNHWIKCS-UHFFFAOYSA-N -1 0 337.828 3.667 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)c1ccnc(Oc2ccccc2)c1 ZINC000683326883 1016206186 /nfs/dbraw/zinc/20/61/86/1016206186.db2.gz IILAQIWWKHYAOI-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM COc1cc2ccccc2cc1C(=O)Nc1c(F)cccc1C(=O)[O-] ZINC001599466572 998371942 /nfs/dbraw/zinc/37/19/42/998371942.db2.gz LBOOPUMKJBHHSU-UHFFFAOYSA-N -1 0 339.322 3.938 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC001599370059 998395015 /nfs/dbraw/zinc/39/50/15/998395015.db2.gz FNMLNHXZUNPEQX-KGLIPLIRSA-N -1 0 345.782 3.789 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N1CC(C)(C)c2ccccc21 ZINC001599370385 998400516 /nfs/dbraw/zinc/40/05/16/998400516.db2.gz JHOGBANTUCOVLI-UHFFFAOYSA-N -1 0 340.379 3.723 20 0 EHADRM COc1ccc(CNc2cccc3cc(C(=O)[O-])sc32)cc1O ZINC001599574209 998415513 /nfs/dbraw/zinc/41/55/13/998415513.db2.gz BUYZTKXTBLAENV-UHFFFAOYSA-N -1 0 329.377 3.926 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N1CCC(C(C)(C)C)CC1 ZINC001599372071 998426220 /nfs/dbraw/zinc/42/62/20/998426220.db2.gz ZWTYBPHAJBSLLJ-UHFFFAOYSA-N -1 0 334.416 3.683 20 0 EHADRM COc1ccc(COCCSCc2ccccc2C(=O)[O-])cc1 ZINC001599576189 998446352 /nfs/dbraw/zinc/44/63/52/998446352.db2.gz XDHMSBFUJAYJTI-UHFFFAOYSA-N -1 0 332.421 3.843 20 0 EHADRM COc1ccc(-c2nc(COc3ccc(C(=O)[O-])cc3)co2)cc1 ZINC001599470813 998447918 /nfs/dbraw/zinc/44/79/18/998447918.db2.gz YMRHLGBEADAGFL-UHFFFAOYSA-N -1 0 325.320 3.627 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NCc1cc(C)nc2c1CCCC2 ZINC001599375261 998475304 /nfs/dbraw/zinc/47/53/04/998475304.db2.gz QHWSQRKFFUURPW-UHFFFAOYSA-N -1 0 326.396 3.588 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1csc2ccccc12 ZINC001599376469 998493766 /nfs/dbraw/zinc/49/37/66/998493766.db2.gz ZLHBVAFOAUVZDH-UHFFFAOYSA-N -1 0 327.361 3.860 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)Cc1ccc(C)c(Cl)c1 ZINC001599378833 998533934 /nfs/dbraw/zinc/53/39/34/998533934.db2.gz QLQRLRSFGAMZMM-UHFFFAOYSA-N -1 0 334.755 3.503 20 0 EHADRM COc1ccc(F)cc1-c1cncc(CSC[C@H](C)C(=O)[O-])c1 ZINC001599582059 998547868 /nfs/dbraw/zinc/54/78/68/998547868.db2.gz FUCQJAFFMMRAIJ-NSHDSACASA-N -1 0 335.400 3.850 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)Nc1ccc2c(c1)C(C)(C)CC2(C)C ZINC001594155515 998560421 /nfs/dbraw/zinc/56/04/21/998560421.db2.gz BITHQZTUDGJGBB-TZMCWYRMSA-N -1 0 344.455 3.972 20 0 EHADRM Cc1cc(OCC(=O)Nc2cc(C(=O)[O-])cs2)ccc1C(C)C ZINC000683331476 1016228760 /nfs/dbraw/zinc/22/87/60/1016228760.db2.gz YRNPZRJPEVEIFW-UHFFFAOYSA-N -1 0 333.409 3.896 20 0 EHADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)Nc1ccc(SC(C)(C)C)cc1 ZINC001594157604 998578398 /nfs/dbraw/zinc/57/83/98/998578398.db2.gz VDEGKISLPOQUOE-SMDDNHRTSA-N -1 0 336.457 3.904 20 0 EHADRM COC(=O)c1ccc(CSCc2ccccc2CC(=O)[O-])cc1 ZINC001598976246 998603212 /nfs/dbraw/zinc/60/32/12/998603212.db2.gz SQBVYAJMQFTDCY-UHFFFAOYSA-N -1 0 330.405 3.534 20 0 EHADRM COC(=O)c1ccc(Cl)cc1SCc1ncccc1C(=O)[O-] ZINC001598977013 998611533 /nfs/dbraw/zinc/61/15/33/998611533.db2.gz VORKSAIMMVMENX-UHFFFAOYSA-N -1 0 337.784 3.512 20 0 EHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1Nc1cccc(OCC(F)(F)F)c1 ZINC001594183801 998711011 /nfs/dbraw/zinc/71/10/11/998711011.db2.gz AIPWJCUYKATISW-GYSYKLTISA-N -1 0 331.334 3.929 20 0 EHADRM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001594188481 998731457 /nfs/dbraw/zinc/73/14/57/998731457.db2.gz SQUMXVAUUHXQHK-AEFFLSMTSA-N -1 0 343.467 3.891 20 0 EHADRM C[C@@H]1CC(C)(C)CN1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001594216325 998831672 /nfs/dbraw/zinc/83/16/72/998831672.db2.gz DYWYPTNPQGFDFB-SECBINFHSA-N -1 0 342.342 3.639 20 0 EHADRM COC(=O)c1ccccc1CSc1nc(Cl)c(C(=O)[O-])s1 ZINC001599003051 998834926 /nfs/dbraw/zinc/83/49/26/998834926.db2.gz OEGFUPQEVHTIJQ-UHFFFAOYSA-N -1 0 343.813 3.574 20 0 EHADRM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001594217285 998837435 /nfs/dbraw/zinc/83/74/35/998837435.db2.gz QNDOEUVTIWHBLK-GXSJLCMTSA-N -1 0 340.370 3.999 20 0 EHADRM C[C@H]1CC(C)(C)CN1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001594217686 998839305 /nfs/dbraw/zinc/83/93/05/998839305.db2.gz WUWIXAWUEXEYKY-ZDUSSCGKSA-N -1 0 345.443 3.637 20 0 EHADRM C[C@@H]1CC(CNC(=O)Cn2cc(C(=O)[O-])c3ccccc32)C[C@@H](C)C1 ZINC001594222861 998859151 /nfs/dbraw/zinc/85/91/51/998859151.db2.gz KHBUAFZPOSYNQM-KBPBESRZSA-N -1 0 342.439 3.528 20 0 EHADRM C[C@@H]1C[C@@H](CC(=O)N[C@H](C(=O)[O-])c2ccccc2F)CC(C)(C)C1 ZINC001594230959 998877304 /nfs/dbraw/zinc/87/73/04/998877304.db2.gz AAKROIZBVJKHRV-IGCXYCKISA-N -1 0 335.419 3.920 20 0 EHADRM CSCc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000340091737 1016257901 /nfs/dbraw/zinc/25/79/01/1016257901.db2.gz MRPPIYVZHPISCJ-UHFFFAOYSA-N -1 0 329.393 3.629 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2ccc(/C=C/C(=O)[O-])o2)C1 ZINC001594270265 999044220 /nfs/dbraw/zinc/04/42/20/999044220.db2.gz RXLCBWWQPVDDND-GPJUQDOMSA-N -1 0 325.364 3.601 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N2[C@@H]3CC[C@H]2CC(C)C3)cc1)C(=O)[O-] ZINC001594290776 999119457 /nfs/dbraw/zinc/11/94/57/999119457.db2.gz FKPPBKOJQYISCZ-JFOKOBIRSA-N -1 0 330.428 3.745 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)N[C@@H](CC(=O)[O-])C2CCCC2)c1 ZINC001599041578 999121659 /nfs/dbraw/zinc/12/16/59/999121659.db2.gz ZAZPDAJNRWIPJQ-LRDDRELGSA-N -1 0 334.416 3.549 20 0 EHADRM C[C@H](NC(=O)C1(C)CCC(C)CC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001594296426 999142363 /nfs/dbraw/zinc/14/23/63/999142363.db2.gz SCJIEDPZTALOGG-WAGVIYRNSA-N -1 0 331.456 3.651 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001594297727 999148748 /nfs/dbraw/zinc/14/87/48/999148748.db2.gz ZNMOMXZOMBJNBA-YYAJDYIMSA-N -1 0 338.492 3.591 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)c1cccc(CC(=O)[O-])c1 ZINC001594298373 999151055 /nfs/dbraw/zinc/15/10/55/999151055.db2.gz IFQBXBGUKJQWOS-ZTFGCOKTSA-N -1 0 331.456 3.752 20 0 EHADRM C[C@@H]1CC[C@H](CC(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)C1 ZINC001594303226 999173403 /nfs/dbraw/zinc/17/34/03/999173403.db2.gz WSQSETDDWHOMQR-XGKMFUNXSA-N -1 0 329.440 3.806 20 0 EHADRM C[C@@H]1CC[C@@H](CCC(=O)O[C@H]2CCCc3cc(C(=O)[O-])ccc32)O1 ZINC001594305043 999177053 /nfs/dbraw/zinc/17/70/53/999177053.db2.gz GBIWKQLKJNFSCS-PVUWLOKVSA-N -1 0 332.396 3.653 20 0 EHADRM CO[C@H](CSCCOc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001599057426 999240374 /nfs/dbraw/zinc/24/03/74/999240374.db2.gz GJCKKDOWJUGGIF-QGZVFWFLSA-N -1 0 332.421 3.885 20 0 EHADRM C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C1 ZINC001594330206 999269370 /nfs/dbraw/zinc/26/93/70/999269370.db2.gz LOTURAUJYJQAEU-LMSBXDPUSA-N -1 0 344.455 3.813 20 0 EHADRM C[C@@H]1CCC[C@H](NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)CC1 ZINC001594352974 999337527 /nfs/dbraw/zinc/33/75/27/999337527.db2.gz XCOAQHMOLCXOMX-KGLIPLIRSA-N -1 0 334.416 3.630 20 0 EHADRM C[C@H](NC(=O)N1CCc2cc(C(=O)[O-])ccc2C1)[C@H]1CCC[C@@H](C)C1 ZINC001594356347 999345887 /nfs/dbraw/zinc/34/58/87/999345887.db2.gz VFOBPEBKXPMQTH-ILXRZTDVSA-N -1 0 344.455 3.667 20 0 EHADRM C[C@@H]1CCC[C@H]1CC(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC001594357929 999353756 /nfs/dbraw/zinc/35/37/56/999353756.db2.gz RJCSSBNFBQTUQL-FRIZHTMISA-N -1 0 325.408 3.908 20 0 EHADRM C[C@@H]1CCC[C@@H]1CC(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001594358146 999354937 /nfs/dbraw/zinc/35/49/37/999354937.db2.gz VIGGKMFOAUGKTI-RVZJWNSFSA-N -1 0 337.847 3.668 20 0 EHADRM C[C@@H]1CCCC[C@H]1C(=O)Oc1cc(Br)cc(C(=O)[O-])c1 ZINC001594363527 999372119 /nfs/dbraw/zinc/37/21/19/999372119.db2.gz GLAQFVLDACSLRD-NOZJJQNGSA-N -1 0 341.201 3.879 20 0 EHADRM C[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001594365916 999382747 /nfs/dbraw/zinc/38/27/47/999382747.db2.gz LMLWWBMQUHAQOK-UKRRQHHQSA-N -1 0 345.443 3.685 20 0 EHADRM C[C@@H]1CCCC[C@@H]1NC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001594366784 999386248 /nfs/dbraw/zinc/38/62/48/999386248.db2.gz RJFIAJFDCUXLFT-WBMJQRKESA-N -1 0 344.411 3.551 20 0 EHADRM C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001594389407 999475663 /nfs/dbraw/zinc/47/56/63/999475663.db2.gz XPNSBMKIFHHODA-ZSFPCNDZSA-N -1 0 344.455 3.643 20 0 EHADRM C[C@@H]1CCN(C(=O)/C=C\c2cc(C(=O)[O-])co2)c2ccccc2S1 ZINC001594396389 999493921 /nfs/dbraw/zinc/49/39/21/999493921.db2.gz LHKICSDRGKJAEC-ZHRWSRJISA-N -1 0 343.404 3.909 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc3cc(C(C)(C)C)ccc3[nH]2)[C@H](C(=O)[O-])C1 ZINC001594409480 999529858 /nfs/dbraw/zinc/52/98/58/999529858.db2.gz GIHXUDMVZATYMM-SJCJKPOMSA-N -1 0 342.439 3.791 20 0 EHADRM C[C@@H]1CCc2c(C(=O)NCc3ccc(C(=O)[O-])cc3F)csc2C1 ZINC001594442665 999630126 /nfs/dbraw/zinc/63/01/26/999630126.db2.gz YCMNJIZTBJRGLZ-SNVBAGLBSA-N -1 0 347.411 3.640 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655579957 1016452543 /nfs/dbraw/zinc/45/25/43/1016452543.db2.gz CFSJHXGHOWMOET-QSPRXWTASA-N -1 0 331.456 3.507 20 0 EHADRM Cc1cc2cc(C(=O)N[C@H](C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)oc2cc1C ZINC000655579763 1016458905 /nfs/dbraw/zinc/45/89/05/1016458905.db2.gz YFCGCRNPNZJTMA-VHDGCEQUSA-N -1 0 343.423 3.915 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655581053 1016464527 /nfs/dbraw/zinc/46/45/27/1016464527.db2.gz UOVLKVDZKOXBSV-OSRSDYAFSA-N -1 0 331.456 3.604 20 0 EHADRM Cc1nc(CCCC(=O)Nc2ccc3[n-]c(=S)oc3c2)cs1 ZINC000163615811 1016542493 /nfs/dbraw/zinc/54/24/93/1016542493.db2.gz DYCWGJYPDHTSPW-UHFFFAOYSA-N -1 0 333.438 3.843 20 0 EHADRM Cc1cc(Br)c(O)c(NC(=O)CCC2CCOCC2)c1 ZINC000182928303 1032149286 /nfs/dbraw/zinc/14/92/86/1032149286.db2.gz GNTCFSSRVNZCLZ-UHFFFAOYSA-N -1 0 342.233 3.608 20 0 EHADRM Cc1ccc([C@@H](C)N(C)C(=O)NC[C@H](CC(=O)[O-])CC(C)C)cc1 ZINC000659419096 1016675594 /nfs/dbraw/zinc/67/55/94/1016675594.db2.gz WSDGZFWMKGVUPW-CVEARBPZSA-N -1 0 334.460 3.834 20 0 EHADRM CC(C)c1cccc(O[C@H](C)C(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000236802332 1016753615 /nfs/dbraw/zinc/75/36/15/1016753615.db2.gz JZBRBOFSKBZBDQ-NVXWUHKLSA-N -1 0 347.455 3.823 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)[C@@H]1COc2ccccc2C1 ZINC000179445086 1016871906 /nfs/dbraw/zinc/87/19/06/1016871906.db2.gz HECVRQUSPFFMIG-JTQLQIEISA-N -1 0 338.190 3.889 20 0 EHADRM Cc1ccnn1-c1ccc(C(=O)Nc2cccc(Cl)c2[O-])cc1 ZINC000340321716 1016940785 /nfs/dbraw/zinc/94/07/85/1016940785.db2.gz PRVNOIRHFWRUCR-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM O=C([O-])C1CCC(C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000659757835 1016979720 /nfs/dbraw/zinc/97/97/20/1016979720.db2.gz LVHNRLPQYJTNMG-NRXISQOPSA-N -1 0 335.831 3.547 20 0 EHADRM C[C@H](NC(=O)C1CCC(C(=O)[O-])CC1)c1cc2ccccc2s1 ZINC000659760447 1016982337 /nfs/dbraw/zinc/98/23/37/1016982337.db2.gz ODDXQCCKJSEWSX-HIFPTAJRSA-N -1 0 331.437 3.970 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC[C@H](C2CCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000659766086 1016983189 /nfs/dbraw/zinc/98/31/89/1016983189.db2.gz HRPYYPYEMXMKJA-JVNPIMRCSA-N -1 0 335.488 3.845 20 0 EHADRM CCN(C(=O)c1ccc(O[C@H](C)c2ccccc2)cc1)[C@@H](C)C(=O)[O-] ZINC000659769718 1016983864 /nfs/dbraw/zinc/98/38/64/1016983864.db2.gz KCVGEBSJSYATGR-LSDHHAIUSA-N -1 0 341.407 3.762 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000659119500 1017043596 /nfs/dbraw/zinc/04/35/96/1017043596.db2.gz QHBPXBXORZFBLQ-UHFFFAOYSA-N -1 0 342.351 3.977 20 0 EHADRM O=C([O-])c1coc(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)c1 ZINC000183764695 1032203871 /nfs/dbraw/zinc/20/38/71/1032203871.db2.gz SMLAYGHQKNHESV-KRWDZBQOSA-N -1 0 335.359 3.692 20 0 EHADRM CO[C@H](COc1ccc(-c2n[n-]c(=N)o2)cc1)c1ccc(Cl)cc1 ZINC000461040094 1032222848 /nfs/dbraw/zinc/22/28/48/1032222848.db2.gz ANWXVHVJMMTPSN-OAHLLOKOSA-N -1 0 345.786 3.569 20 0 EHADRM C[C@@H](CCOc1ccc(-c2n[n-]c(=N)o2)cc1)OCc1ccccc1 ZINC000461077587 1032251314 /nfs/dbraw/zinc/25/13/14/1032251314.db2.gz XFYJUZXOIOCOGQ-AWEZNQCLSA-N -1 0 339.395 3.523 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1nc(Br)cnc1Cl ZINC001211616183 1032271419 /nfs/dbraw/zinc/27/14/19/1032271419.db2.gz ABEHEHSRMQNZAF-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1ccnn1Cc1ccccc1F ZINC001211616226 1032273560 /nfs/dbraw/zinc/27/35/60/1032273560.db2.gz CCCCGDMLYSHZKY-UHFFFAOYSA-N -1 0 325.343 3.821 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ncc(Cl)cc2C)c(Cl)cc1F ZINC000461211991 1032321894 /nfs/dbraw/zinc/32/18/94/1032321894.db2.gz XIYVFABATWDFDQ-UHFFFAOYSA-N -1 0 349.214 3.945 20 0 EHADRM CSCc1ccccc1NC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000185070277 1032361334 /nfs/dbraw/zinc/36/13/34/1032361334.db2.gz CWEFEXMGAAMEQB-UHFFFAOYSA-N -1 0 339.420 3.693 20 0 EHADRM CC(C)Oc1ccc(S(=O)(=O)[N-]c2nc3ccccc3s2)cc1 ZINC000536891753 1032400120 /nfs/dbraw/zinc/40/01/20/1032400120.db2.gz SJBUTKCFKDOGMN-UHFFFAOYSA-N -1 0 348.449 3.884 20 0 EHADRM CCC[C@H](CNC(=O)CCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000263047573 1032417552 /nfs/dbraw/zinc/41/75/52/1032417552.db2.gz AHHGENHTXGJJSK-LLVKDONJSA-N -1 0 332.227 3.543 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1 ZINC000263039402 1032417653 /nfs/dbraw/zinc/41/76/53/1032417653.db2.gz CFCDJXFTVLAIDC-LSDHHAIUSA-N -1 0 348.443 3.686 20 0 EHADRM COc1cc(NC(=O)C[C@H]2CCCc3ccccc32)ccc1C(=O)[O-] ZINC000263060993 1032426631 /nfs/dbraw/zinc/42/66/31/1032426631.db2.gz XGBIEARZGOBRSL-CQSZACIVSA-N -1 0 339.391 3.842 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1cn2cc(Br)ccc2n1 ZINC001211618517 1032449057 /nfs/dbraw/zinc/44/90/57/1032449057.db2.gz CQVGGWRYSXMZGG-UHFFFAOYSA-N -1 0 346.184 3.847 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)N[C@H]1CC(C)(C)CCc2ccccc21 ZINC000414635873 1017086518 /nfs/dbraw/zinc/08/65/18/1017086518.db2.gz CNZQRWGKODEUFR-INIZCTEOSA-N -1 0 332.444 3.596 20 0 EHADRM C[C@@H]1C[C@@]1(NC(=O)NCCCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000414632132 1017093656 /nfs/dbraw/zinc/09/36/56/1017093656.db2.gz XNIXJQHKAUTKHI-PXAZEXFGSA-N -1 0 338.835 3.519 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CN(C(=O)NCCCCCC(=O)[O-])C2CC2)o1 ZINC000414632729 1017094400 /nfs/dbraw/zinc/09/44/00/1017094400.db2.gz YQVPXOQKKBHTPL-BBRMVZONSA-N -1 0 348.443 3.722 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1C ZINC000537196139 1032553312 /nfs/dbraw/zinc/55/33/12/1032553312.db2.gz VYWRJPZOWSXQIO-SECBINFHSA-N -1 0 345.827 3.756 20 0 EHADRM C[C@H]1CCC[C@H](N(C)C(=O)c2cccc(Br)c2[O-])C1 ZINC000592832476 1032582935 /nfs/dbraw/zinc/58/29/35/1032582935.db2.gz DDUVAXVMYPGEDW-QWRGUYRKSA-N -1 0 326.234 3.805 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)Nc1cc(C(F)F)ccc1Cl)C(=O)[O-] ZINC000601988390 1032582975 /nfs/dbraw/zinc/58/29/75/1032582975.db2.gz JFFVVJOEALXIQL-BQBZGAKWSA-N -1 0 337.775 3.811 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-] ZINC000601990363 1032583086 /nfs/dbraw/zinc/58/30/86/1032583086.db2.gz YVOTVSGILCTMCU-YUMQZZPRSA-N -1 0 333.862 3.595 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)[C@H](C)S[C@H](C)C(=O)[O-])c1C ZINC000601990002 1032583460 /nfs/dbraw/zinc/58/34/60/1032583460.db2.gz FULWOZGLNGTOAA-LZWOXQAQSA-N -1 0 335.469 3.562 20 0 EHADRM Cc1cccc([C@@H]2CCCCN2C(=O)[C@H](C)S[C@@H](C)C(=O)[O-])c1C ZINC000601990176 1032584759 /nfs/dbraw/zinc/58/47/59/1032584759.db2.gz GPANHMUGUSUTRN-ZOBUZTSGSA-N -1 0 349.496 3.952 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)NCc1ccc(-c2cccs2)cc1 ZINC000601993229 1032584904 /nfs/dbraw/zinc/58/49/04/1032584904.db2.gz MOTQXEXYLRUZPH-NEPJUHHUSA-N -1 0 349.477 3.626 20 0 EHADRM CC(C)Sc1ccccc1NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-] ZINC000601998833 1032586587 /nfs/dbraw/zinc/58/65/87/1032586587.db2.gz IQKGFJQTCRGFKT-QWRGUYRKSA-N -1 0 327.471 3.720 20 0 EHADRM CCc1nc([N-]S(=O)(=O)c2cccc(C)c2Cl)sc1C ZINC000537274577 1032590182 /nfs/dbraw/zinc/59/01/82/1032590182.db2.gz ZXKHERFTCDQISU-UHFFFAOYSA-N -1 0 330.862 3.777 20 0 EHADRM O=C(Nc1cc(Cl)ccc1O)c1cccc(Br)c1[O-] ZINC000592854459 1032595739 /nfs/dbraw/zinc/59/57/39/1032595739.db2.gz ROJRIMFQLNIUSP-UHFFFAOYSA-N -1 0 342.576 3.766 20 0 EHADRM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000606201073 1032601284 /nfs/dbraw/zinc/60/12/84/1032601284.db2.gz IYMHFGGIRZXFHI-LLVKDONJSA-N -1 0 349.356 3.612 20 0 EHADRM O=C(CC/C=C\c1ccccc1)N=c1nc(Cc2ccccc2)[n-]s1 ZINC000606196380 1032601910 /nfs/dbraw/zinc/60/19/10/1032601910.db2.gz MRFRKUJUSRCHRQ-XFFZJAGNSA-N -1 0 349.459 3.983 20 0 EHADRM O=C([N-]OC1CCCC1)c1cc2ccc(C(F)(F)F)cc2[nH]c1=O ZINC000935238867 1032627477 /nfs/dbraw/zinc/62/74/77/1032627477.db2.gz HNULGSOUQHKCAM-UHFFFAOYSA-N -1 0 340.301 3.563 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-])c1cc2ccccc2s1 ZINC000592982341 1032650872 /nfs/dbraw/zinc/65/08/72/1032650872.db2.gz MJRXOBJJHFAWRZ-FPMFFAJLSA-N -1 0 329.421 3.746 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N(C)[C@H]2CC[C@H](C)C2)s1 ZINC000471340769 1017124982 /nfs/dbraw/zinc/12/49/82/1017124982.db2.gz NYSMBHYCZMWTEF-GWCFXTLKSA-N -1 0 348.447 3.727 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccc(Cl)cc2Cl)[C@@H](C(=O)[O-])C1 ZINC000128209181 1017138923 /nfs/dbraw/zinc/13/89/23/1017138923.db2.gz YGJLRRWRIMHNMP-QPUJVOFHSA-N -1 0 331.199 3.710 20 0 EHADRM CC[C@H]1[C@@H](C)CCN1C(=O)N=c1[n-]nc(-c2cc(F)ccc2C)s1 ZINC000471353746 1017171344 /nfs/dbraw/zinc/17/13/44/1017171344.db2.gz ODNCNMYDBYTKBY-FZMZJTMJSA-N -1 0 348.447 3.727 20 0 EHADRM CC[C@H]1CCCCN1C(=O)N=c1[n-]nc(-c2cc(F)ccc2C)s1 ZINC000471358143 1017189762 /nfs/dbraw/zinc/18/97/62/1017189762.db2.gz SBMYICWLBVXBEA-ZDUSSCGKSA-N -1 0 348.447 3.871 20 0 EHADRM C/C=C\C[C@H](NC(=O)Nc1cc(Cl)c(OC)c(Cl)c1)C(=O)[O-] ZINC000574895261 1032715307 /nfs/dbraw/zinc/71/53/07/1032715307.db2.gz JCQXGNOYXQLVSB-BYCRGOAPSA-N -1 0 347.198 3.543 20 0 EHADRM CCC[C@@H](NC(=O)NC[C@@H](C)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000655865721 1017817468 /nfs/dbraw/zinc/81/74/68/1017817468.db2.gz JZVGIKQAYOPHJP-ZWNOBZJWSA-N -1 0 346.349 3.567 20 0 EHADRM CNC(=O)c1ccc(-c2ccc(C(=O)[O-])c(OC(C)C)c2)cc1C ZINC000515501237 1032728704 /nfs/dbraw/zinc/72/87/04/1032728704.db2.gz YPKBSFXFNSEAJP-UHFFFAOYSA-N -1 0 327.380 3.507 20 0 EHADRM CC(C)C[C@H]1CCCN(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1 ZINC000655901016 1017881636 /nfs/dbraw/zinc/88/16/36/1017881636.db2.gz FLEHBNVKVBUXPE-LVQVYYBASA-N -1 0 338.492 3.590 20 0 EHADRM CC(C)Oc1ccc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000047368765 1018108121 /nfs/dbraw/zinc/10/81/21/1018108121.db2.gz ZJUYBKKFFLIUFQ-HXUWFJFHSA-N -1 0 341.407 3.845 20 0 EHADRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1nc(C2CCC2)cs1 ZINC000683718594 1018143455 /nfs/dbraw/zinc/14/34/55/1018143455.db2.gz LONJULUNWWLPHH-UHFFFAOYSA-N -1 0 326.418 3.659 20 0 EHADRM Cc1ncn(CCCCc2noc(-c3ccc([O-])c(Cl)c3)n2)c1C ZINC000656037811 1018305051 /nfs/dbraw/zinc/30/50/51/1018305051.db2.gz MHFDIBCAHFOWSJ-UHFFFAOYSA-N -1 0 346.818 3.932 20 0 EHADRM Cc1ccc(C)c(C(=O)N[C@@H](C)[C@H]2CC3CCC2CC3)c1C(=O)[O-] ZINC000394209613 1018376636 /nfs/dbraw/zinc/37/66/36/1018376636.db2.gz ALLWFUULDHABST-SLTXQBBLSA-N -1 0 329.440 3.946 20 0 EHADRM C[C@H](CNc1nnc(-c2cc(Cl)cc(Cl)c2)s1)C(=O)[O-] ZINC000656091610 1018521069 /nfs/dbraw/zinc/52/10/69/1018521069.db2.gz FQCDZLFXPFXIPJ-ZCFIWIBFSA-N -1 0 332.212 3.645 20 0 EHADRM O=S(=O)([O-])c1cc(Cl)ccc1Nc1cnc2sccc2c1 ZINC001210692878 1018561349 /nfs/dbraw/zinc/56/13/49/1018561349.db2.gz GHSHQKDUCLKSTL-UHFFFAOYSA-N -1 0 340.813 3.940 20 0 EHADRM CCOc1cccc2cc([C@@H](C)NC(=O)C(CC)(CC)C(=O)[O-])oc21 ZINC000653302183 1018594163 /nfs/dbraw/zinc/59/41/63/1018594163.db2.gz KHRAYTJPOGDNFM-GFCCVEGCSA-N -1 0 347.411 3.900 20 0 EHADRM CC(C)N(C)c1ccccc1NC(=O)c1s[n-]c(=O)c1Cl ZINC000614405372 1018984351 /nfs/dbraw/zinc/98/43/51/1018984351.db2.gz PFVZEEWVJLSADX-UHFFFAOYSA-N -1 0 325.821 3.599 20 0 EHADRM COc1cccc2cc(C(=O)NCCCCCCCC(=O)[O-])oc21 ZINC000237080960 1019008514 /nfs/dbraw/zinc/00/85/14/1019008514.db2.gz GZRNGGMWMHJQCK-UHFFFAOYSA-N -1 0 333.384 3.596 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2sc(C)nc2C)cc1Cl ZINC000433495261 1019020837 /nfs/dbraw/zinc/02/08/37/1019020837.db2.gz DFNHJDCVCHNBTC-UHFFFAOYSA-N -1 0 348.902 3.936 20 0 EHADRM CCOc1ccccc1[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000473507187 1019080212 /nfs/dbraw/zinc/08/02/12/1019080212.db2.gz VNFJHYHBXYCRGB-UHFFFAOYSA-N -1 0 331.846 3.909 20 0 EHADRM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1nnc(C(F)F)s1 ZINC000160463451 1019098391 /nfs/dbraw/zinc/09/83/91/1019098391.db2.gz ARGAEOYRHQDTCU-UHFFFAOYSA-N -1 0 347.412 3.574 20 0 EHADRM COC(=O)c1sc2ncccc2c1Nc1ccccc1C(=O)[O-] ZINC001210968572 1019149340 /nfs/dbraw/zinc/14/93/40/1019149340.db2.gz APJQCVRNWVQMNN-UHFFFAOYSA-N -1 0 328.349 3.525 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)CCCC(C)(C)C)cc1 ZINC000729068132 1019172434 /nfs/dbraw/zinc/17/24/34/1019172434.db2.gz VJBXQCIHDFAIRE-UHFFFAOYSA-N -1 0 325.474 3.660 20 0 EHADRM CCSc1cccc(F)c1[N-]C(=O)c1cc(C)c(C(=O)OC)o1 ZINC000602339539 1032814013 /nfs/dbraw/zinc/81/40/13/1032814013.db2.gz AEHXRCOMVOXNOA-UHFFFAOYSA-N -1 0 337.372 3.878 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000237095155 1019313469 /nfs/dbraw/zinc/31/34/69/1019313469.db2.gz FOEIDBHVTSYEBP-KAQIVPQOSA-N -1 0 337.375 3.835 20 0 EHADRM Cc1cc(C)c(C=CC(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)cc1C ZINC000729365077 1019321042 /nfs/dbraw/zinc/32/10/42/1019321042.db2.gz HDPWGIXEPQAYTP-FPLPWBNLSA-N -1 0 349.390 3.607 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)[C@]23C[C@H]2CCC3)cc1 ZINC000580420954 1019343872 /nfs/dbraw/zinc/34/38/72/1019343872.db2.gz MYZHJGDXZJQAFR-GQIGUUNPSA-N -1 0 329.440 3.806 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000237113639 1019366305 /nfs/dbraw/zinc/36/63/05/1019366305.db2.gz MHRLNMUQERIQNB-ORAYPTAESA-N -1 0 335.444 3.511 20 0 EHADRM CO[C@@H](C)c1nc(=NC[C@@H](C)c2ccc(C(F)(F)F)cc2)s[n-]1 ZINC000509924392 1019448565 /nfs/dbraw/zinc/44/85/65/1019448565.db2.gz IERWMQSFPONZLG-ZJUUUORDSA-N -1 0 345.390 3.902 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCCc1ccc(F)cc1)c1cccs1 ZINC000656231891 1019472352 /nfs/dbraw/zinc/47/23/52/1019472352.db2.gz HFGKMLQNHVPELW-CQSZACIVSA-N -1 0 335.400 3.542 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(C3CC3)c2)cc1 ZINC000656232578 1019473039 /nfs/dbraw/zinc/47/30/39/1019473039.db2.gz WCBMUUDQALXOSL-GOSISDBHSA-N -1 0 339.391 3.518 20 0 EHADRM CCOC(=O)c1ccc(/C=C\c2ccc3cc(C(=O)[O-])ccc3n2)o1 ZINC000513252375 1019482998 /nfs/dbraw/zinc/48/29/98/1019482998.db2.gz YBDSVGFEPRCRQV-SREVYHEPSA-N -1 0 337.331 3.873 20 0 EHADRM COc1cc(NC(=O)CCc2ccc([C@H]3C[C@H]3C)o2)ccc1C(=O)[O-] ZINC000327711175 1019491203 /nfs/dbraw/zinc/49/12/03/1019491203.db2.gz BUIUDLWQZGYWBF-ABAIWWIYSA-N -1 0 343.379 3.681 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc(C(=O)C3CCC3)cc2)CCCC1 ZINC000580509923 1019526163 /nfs/dbraw/zinc/52/61/63/1019526163.db2.gz HGUTWUXMFVMKTH-UHFFFAOYSA-N -1 0 329.396 3.643 20 0 EHADRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)c1ccc(C(F)F)cc1F ZINC000656241027 1019535209 /nfs/dbraw/zinc/53/52/09/1019535209.db2.gz FCTFALRQGLXSKC-YPMHNXCESA-N -1 0 329.318 3.527 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1 ZINC000032097144 1032838541 /nfs/dbraw/zinc/83/85/41/1032838541.db2.gz KTUBJEWMVTWREK-UHFFFAOYSA-N -1 0 328.393 3.814 20 0 EHADRM Cc1cc(C(=O)NC[C@@H](C)CC(=O)[O-])c(C)n1[C@H](C)c1ccccc1 ZINC000262214765 1019563985 /nfs/dbraw/zinc/56/39/85/1019563985.db2.gz LLTBFYVUEKNESO-DZGCQCFKSA-N -1 0 342.439 3.555 20 0 EHADRM Cc1c(COc2ccccc2)cccc1NC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC000262238082 1019570788 /nfs/dbraw/zinc/57/07/88/1019570788.db2.gz VYSVMRDMLDKUIS-IAGOWNOFSA-N -1 0 339.391 3.623 20 0 EHADRM Cc1ccc([C@@H](NC(=O)CC2CCC(C(=O)[O-])CC2)C(F)(F)F)o1 ZINC000656247701 1019579753 /nfs/dbraw/zinc/57/97/53/1019579753.db2.gz UIJNKTBOSABOSM-QIMFLAQGSA-N -1 0 347.333 3.589 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cc(Cl)ccc2Br)CCC1 ZINC000311885303 1019623729 /nfs/dbraw/zinc/62/37/29/1019623729.db2.gz XIQNYWRPTVGKPH-UHFFFAOYSA-N -1 0 346.608 3.686 20 0 EHADRM Cc1cc2cccnc2c([N-]S(=O)(=O)c2cccc(C)c2F)c1 ZINC000513432909 1019660995 /nfs/dbraw/zinc/66/09/95/1019660995.db2.gz USZRYHRZRVHELN-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C[C@@H]1OCCc2ccccc21 ZINC000262559695 1019662262 /nfs/dbraw/zinc/66/22/62/1019662262.db2.gz VYQOZANCXBIGIM-SFHVURJKSA-N -1 0 339.391 3.644 20 0 EHADRM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1cccnc1Cl ZINC000760311227 1032845676 /nfs/dbraw/zinc/84/56/76/1032845676.db2.gz MBOZTEJPWLTRFB-UHFFFAOYSA-N -1 0 340.763 3.730 20 0 EHADRM COc1nc(C(F)(F)F)ccc1-c1ccc(C)c(C(=O)[O-])c1OC ZINC000580582191 1019689282 /nfs/dbraw/zinc/68/92/82/1019689282.db2.gz MXQNKKMSFWKVCQ-UHFFFAOYSA-N -1 0 341.285 3.791 20 0 EHADRM O=C([O-])C1CCC(C(=O)N2CCCC[C@H]2Cc2ccccc2)CC1 ZINC000262692113 1019706582 /nfs/dbraw/zinc/70/65/82/1019706582.db2.gz FDYITAOBUZQEJG-ABHNRTSZSA-N -1 0 329.440 3.501 20 0 EHADRM C[C@H](CCC(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000262746088 1019719794 /nfs/dbraw/zinc/71/97/94/1019719794.db2.gz ANPXVIPNIPJGQA-CQSZACIVSA-N -1 0 327.380 3.672 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)cc1 ZINC000340731915 1019720311 /nfs/dbraw/zinc/72/03/11/1019720311.db2.gz DMJFLANIETYPIS-UHFFFAOYSA-N -1 0 345.754 3.622 20 0 EHADRM Cc1c(C(=O)N[C@](C)(CC(=O)[O-])C(C)C)cccc1-c1ccccn1 ZINC000262813500 1019736946 /nfs/dbraw/zinc/73/69/46/1019736946.db2.gz BEJPIYFPKZVJBZ-HXUWFJFHSA-N -1 0 340.423 3.676 20 0 EHADRM CC[C@H](CC(=O)N1CC[C@@](C(=O)[O-])(C(C)C)C1)c1ccc(OC)cc1 ZINC000262878980 1019754423 /nfs/dbraw/zinc/75/44/23/1019754423.db2.gz GQVARYBDMGVAKQ-QRWLVFNGSA-N -1 0 347.455 3.538 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)c2cccc(-c3ccoc3)c2)C1 ZINC000262909977 1019764459 /nfs/dbraw/zinc/76/44/59/1019764459.db2.gz IRLSGNDZZQYFGA-LJQANCHMSA-N -1 0 327.380 3.520 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC000263055581 1019802725 /nfs/dbraw/zinc/80/27/25/1019802725.db2.gz WUGZCAFRTINDDL-VXGBXAGGSA-N -1 0 331.393 3.506 20 0 EHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000263074793 1019807194 /nfs/dbraw/zinc/80/71/94/1019807194.db2.gz ULZLLXXOCTYNJS-MRXNPFEDSA-N -1 0 345.361 3.801 20 0 EHADRM C[C@@H](C(=O)N[C@H](CCC(=O)[O-])c1ccccc1)c1c(F)cccc1F ZINC000263126480 1019823713 /nfs/dbraw/zinc/82/37/13/1019823713.db2.gz LCQQDZSWGLGXIT-MLGOLLRUSA-N -1 0 347.361 3.791 20 0 EHADRM CCC[C@@H](CNC(=O)c1ccc(Cl)cc1SCC)C(=O)[O-] ZINC000263234384 1019847509 /nfs/dbraw/zinc/84/75/09/1019847509.db2.gz SLGMFTOEZRAXQM-JTQLQIEISA-N -1 0 329.849 3.683 20 0 EHADRM Cc1nc(C(=O)N(Cc2cccc(Cl)c2)C(C)C)ccc1C(=O)[O-] ZINC000263339108 1019878342 /nfs/dbraw/zinc/87/83/42/1019878342.db2.gz OKBGHKFONCQHRY-UHFFFAOYSA-N -1 0 346.814 3.792 20 0 EHADRM CC(C)(C(=O)[O-])C(=O)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000580774494 1020003236 /nfs/dbraw/zinc/00/32/36/1020003236.db2.gz SRPUGVUWKDABBX-AAEUAGOBSA-N -1 0 343.345 3.569 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)c(C)o1 ZINC000345219162 1020045507 /nfs/dbraw/zinc/04/55/07/1020045507.db2.gz SEGIFUZSUQHBCB-UHFFFAOYSA-N -1 0 337.294 3.855 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N[C@@H]2CCc3c2cccc3Cl)CC1 ZINC000580836091 1020116816 /nfs/dbraw/zinc/11/68/16/1020116816.db2.gz VDGNYVBIQFKSPD-ZEPSKSRBSA-N -1 0 335.831 3.725 20 0 EHADRM CC[C@]1(C)C[C@@H]1C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000455937144 1032884175 /nfs/dbraw/zinc/88/41/75/1032884175.db2.gz UZQBRSHEQZAKRO-LALPHHSUSA-N -1 0 329.318 3.541 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc(Cl)c(Br)c1 ZINC000263487098 1020413889 /nfs/dbraw/zinc/41/38/89/1020413889.db2.gz HOHKJVXFEKUXDU-KOLCDFICSA-N -1 0 346.652 3.788 20 0 EHADRM Cc1cc2cccnc2c(NC(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000581168588 1020499204 /nfs/dbraw/zinc/49/92/04/1020499204.db2.gz CKLORWGOMSJGST-UHFFFAOYSA-N -1 0 334.375 3.813 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)Nc1ccc2[nH]ccc2c1 ZINC000581229223 1020557848 /nfs/dbraw/zinc/55/78/48/1020557848.db2.gz SDIJINWWPJUCCO-INIZCTEOSA-N -1 0 329.400 3.713 20 0 EHADRM CCCCCC(=O)N[C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000345836217 1020567225 /nfs/dbraw/zinc/56/72/25/1020567225.db2.gz YTPBWAUWUCBDAZ-CYBMUJFWSA-N -1 0 332.227 3.686 20 0 EHADRM FC(F)c1n[n-]c(=N[C@H]2C[C@@H]2c2ccc(Br)cc2)s1 ZINC000340900885 1020568575 /nfs/dbraw/zinc/56/85/75/1020568575.db2.gz LEHRAUQKFNGSJN-BDAKNGLRSA-N -1 0 346.200 3.628 20 0 EHADRM O=C(Nc1cnccc1-c1ccccc1)c1cc(F)c([O-])c(F)c1 ZINC000684171347 1020575907 /nfs/dbraw/zinc/57/59/07/1020575907.db2.gz JZFMIMLCWQUEPY-UHFFFAOYSA-N -1 0 326.302 3.985 20 0 EHADRM O=C([O-])c1sc2ccsc2c1CNC(=O)[C@H]1CCC[C@@H](F)C1 ZINC000581246770 1020579991 /nfs/dbraw/zinc/57/99/91/1020579991.db2.gz LFTVMGMCCQNOKZ-DTWKUNHWSA-N -1 0 341.429 3.806 20 0 EHADRM Fc1cc(C(F)(F)F)c(F)cc1CN=c1nc(C2CC2)[n-]s1 ZINC000340909487 1020582833 /nfs/dbraw/zinc/58/28/33/1020582833.db2.gz IGEUTINDFSEZFR-UHFFFAOYSA-N -1 0 335.301 3.747 20 0 EHADRM CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000625494227 1020591976 /nfs/dbraw/zinc/59/19/76/1020591976.db2.gz DNGYQEWIEGLXLB-UHFFFAOYSA-N -1 0 343.798 3.829 20 0 EHADRM Cc1c(C(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)cnn1C(C)(C)C ZINC000345894165 1020593050 /nfs/dbraw/zinc/59/30/50/1020593050.db2.gz BALJWXQAGHABAS-UHFFFAOYSA-N -1 0 329.400 3.514 20 0 EHADRM COc1c(F)cc(F)cc1[N-]S(=O)(=O)/C=C\c1ccc(C)cc1 ZINC000760365574 1032913080 /nfs/dbraw/zinc/91/30/80/1032913080.db2.gz VTEWFNQZUQZKQV-FPLPWBNLSA-N -1 0 339.363 3.694 20 0 EHADRM C[C@@H]1[C@@H](C(=O)N=c2nc(Cc3ccccc3)[n-]s2)[C@@H]1c1ccccc1 ZINC000430550416 1020645477 /nfs/dbraw/zinc/64/54/77/1020645477.db2.gz ONLKERQGQMPASM-DOPJRALCSA-N -1 0 349.459 3.539 20 0 EHADRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(F)c(F)c1C ZINC000414409963 1020649431 /nfs/dbraw/zinc/64/94/31/1020649431.db2.gz NOLLDUHXRYQOFX-UHFFFAOYSA-N -1 0 341.379 3.699 20 0 EHADRM CCC(CC)(CC(=O)NCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000656486473 1020711788 /nfs/dbraw/zinc/71/17/88/1020711788.db2.gz NLQNBXABKKODNS-UHFFFAOYSA-N -1 0 332.227 3.891 20 0 EHADRM Cc1ccc(N=c2[n-]nc(SCc3ccon3)s2)cc1Cl ZINC000501153696 1020731411 /nfs/dbraw/zinc/73/14/11/1020731411.db2.gz UNNZRXZPSUORRH-UHFFFAOYSA-N -1 0 338.845 3.946 20 0 EHADRM C[C@](CC(=O)Nc1cccc(OC(F)F)c1)(C(=O)[O-])c1ccccc1 ZINC000048383476 1020731929 /nfs/dbraw/zinc/73/19/29/1020731929.db2.gz AMLJGEMSPFQRJE-GOSISDBHSA-N -1 0 349.333 3.659 20 0 EHADRM CNC(=O)c1ccc(-c2ccc(SCCCC(=O)[O-])cc2)cc1C ZINC000581381126 1020768312 /nfs/dbraw/zinc/76/83/12/1020768312.db2.gz RAQRNYZNWYRDLO-UHFFFAOYSA-N -1 0 343.448 3.979 20 0 EHADRM CC[C@@H](OCCOc1ccc(-c2n[n-]c(=N)o2)cc1)c1ccccc1 ZINC000650320848 1020785088 /nfs/dbraw/zinc/78/50/88/1020785088.db2.gz ONJXLWYGRLQCSJ-QGZVFWFLSA-N -1 0 339.395 3.696 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccn3)cc2)s1 ZINC000581402681 1020803961 /nfs/dbraw/zinc/80/39/61/1020803961.db2.gz YZUWLKILUQDVAK-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)[C@@H](Oc1ccccc1)c1ccccc1 ZINC000341203481 1021091763 /nfs/dbraw/zinc/09/17/63/1021091763.db2.gz ZIHLPNGBFWSSTG-FQEVSTJZSA-N -1 0 345.402 3.535 20 0 EHADRM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccccc1COc1ccccc1 ZINC000581610431 1021149566 /nfs/dbraw/zinc/14/95/66/1021149566.db2.gz NSHZPNMFXMRUAB-SJORKVTESA-N -1 0 339.391 3.561 20 0 EHADRM CCCN(C(=O)N[C@H]1CC(C)(C)c2ccccc21)[C@H](CC)C(=O)[O-] ZINC000518470876 1021214570 /nfs/dbraw/zinc/21/45/70/1021214570.db2.gz FRKQKZDWVKVXIV-JKSUJKDBSA-N -1 0 332.444 3.694 20 0 EHADRM O=S(=O)(Cc1cc(F)ccc1Cl)[N-]c1nc(C2CC2)cs1 ZINC000656729046 1021215648 /nfs/dbraw/zinc/21/56/48/1021215648.db2.gz SHLBPGOBZLLKJO-UHFFFAOYSA-N -1 0 346.836 3.755 20 0 EHADRM CC(C)CC[C@@H]1CCCN1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000427208547 1021216681 /nfs/dbraw/zinc/21/66/81/1021216681.db2.gz GIXBYTFIXOIPFV-AWEZNQCLSA-N -1 0 345.418 3.758 20 0 EHADRM CCOc1cc(/C=C/c2nc3cc(C(=O)[O-])ccc3o2)ccc1O ZINC000436784082 1021224086 /nfs/dbraw/zinc/22/40/86/1021224086.db2.gz ORHDYENPQCGBDC-XBXARRHUSA-N -1 0 325.320 3.801 20 0 EHADRM O=C(NCc1ncoc1-c1ccccc1)c1cc(F)cc(Cl)c1[O-] ZINC000436791464 1021234613 /nfs/dbraw/zinc/23/46/13/1021234613.db2.gz JPRUZJAJFMCBIP-UHFFFAOYSA-N -1 0 346.745 3.770 20 0 EHADRM CO[C@@H](CS(=O)(=O)[N-]c1nc(C(C)C)c(C)s1)C1CCCC1 ZINC000656740634 1021236957 /nfs/dbraw/zinc/23/69/57/1021236957.db2.gz YJHQWHSBHZCWEY-ZDUSSCGKSA-N -1 0 346.518 3.522 20 0 EHADRM CCn1ncc(C)c1[N-]S(=O)(=O)c1ccc(C(C)(C)CC)cc1 ZINC000656741412 1021242533 /nfs/dbraw/zinc/24/25/33/1021242533.db2.gz DIYKQIQJPYEOGU-UHFFFAOYSA-N -1 0 335.473 3.700 20 0 EHADRM O=C(Nc1nnc(/C=C\c2ccco2)s1)c1cc(Cl)ccc1[O-] ZINC000436804222 1021249125 /nfs/dbraw/zinc/24/91/25/1021249125.db2.gz BCJUJXANPRJSTD-XQRVVYSFSA-N -1 0 347.783 3.913 20 0 EHADRM O=C(N[C@@H]1COc2ccc(F)cc21)c1c([O-])cc(Cl)cc1Cl ZINC000436806207 1021250586 /nfs/dbraw/zinc/25/05/86/1021250586.db2.gz HEADKYSSECBXBN-LLVKDONJSA-N -1 0 342.153 3.702 20 0 EHADRM CSC1(C(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)CCC1 ZINC000426321733 1021254376 /nfs/dbraw/zinc/25/43/76/1021254376.db2.gz FLJJURHPIHRRDW-UHFFFAOYSA-N -1 0 339.873 3.505 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(Cc2ccc(F)cc2Cl)C1 ZINC000656756412 1021276629 /nfs/dbraw/zinc/27/66/29/1021276629.db2.gz CGATYZYEIQTQCA-ZJUUUORDSA-N -1 0 339.716 3.564 20 0 EHADRM COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)c2ccc(C)cc2O)c1 ZINC000436841278 1021284640 /nfs/dbraw/zinc/28/46/40/1021284640.db2.gz YNDPFGWJBUMQCF-KDOFPFPSSA-N -1 0 325.408 3.933 20 0 EHADRM CCc1c(NC(=O)c2cc(F)c([O-])c(F)c2)cnn1-c1ccccc1 ZINC000436840590 1021285311 /nfs/dbraw/zinc/28/53/11/1021285311.db2.gz POWDMYQONKFSOE-UHFFFAOYSA-N -1 0 343.333 3.671 20 0 EHADRM Cc1ncc(C(=O)Nc2cc(Br)cc(Cl)c2[O-])s1 ZINC000342464746 1021289783 /nfs/dbraw/zinc/28/97/83/1021289783.db2.gz ZIMTUPYOJZCORX-UHFFFAOYSA-N -1 0 347.621 3.825 20 0 EHADRM CC1(C)CO[C@@H](c2cccc(F)c2)CN1Cc1ccccc1C(=O)[O-] ZINC000656764701 1021290655 /nfs/dbraw/zinc/29/06/55/1021290655.db2.gz DJKSZWUVHAGYOX-GOSISDBHSA-N -1 0 343.398 3.876 20 0 EHADRM CCc1cnc(NC(=O)c2cc(F)cc(Br)c2[O-])s1 ZINC000436850492 1021294035 /nfs/dbraw/zinc/29/40/35/1021294035.db2.gz IDBAZUJUOKRBKT-UHFFFAOYSA-N -1 0 345.193 3.565 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)COc2ccc(Cl)cc2C)c1 ZINC000436860135 1021297477 /nfs/dbraw/zinc/29/74/77/1021297477.db2.gz DYCFZXSJVUOZJN-UHFFFAOYSA-N -1 0 333.771 3.574 20 0 EHADRM C[C@H](NC(=O)C(=O)c1ccc(O)cc1)c1ccc(Cl)c(Cl)c1 ZINC000436863790 1021304546 /nfs/dbraw/zinc/30/45/46/1021304546.db2.gz WBRYYRBMZUAWPB-VIFPVBQESA-N -1 0 338.190 3.759 20 0 EHADRM O=C([O-])c1ccc2oc(/C=C\c3cnn(-c4ccccc4)c3)nc2c1 ZINC000439270776 1021307855 /nfs/dbraw/zinc/30/78/55/1021307855.db2.gz IELBZPJURKFMKM-TWGQIWQCSA-N -1 0 331.331 3.882 20 0 EHADRM C[C@@H](C1CC1)N(C(=O)c1cc(F)cc(Br)c1[O-])C1CC1 ZINC000436897955 1021360067 /nfs/dbraw/zinc/36/00/67/1021360067.db2.gz VLHPXMZRCAMAGK-QMMMGPOBSA-N -1 0 342.208 3.697 20 0 EHADRM O=C(N[C@H]1C[C@H]1c1c(F)cccc1F)c1cc(F)c([O-])c(Cl)c1 ZINC000436898005 1021361445 /nfs/dbraw/zinc/36/14/45/1021361445.db2.gz VURSOLABBQBYQV-OQPBUACISA-N -1 0 341.716 3.749 20 0 EHADRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000107233855 1032973435 /nfs/dbraw/zinc/97/34/35/1032973435.db2.gz WFBIXLAQCBOMPR-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM O=C(Nc1ccccc1O)c1cc(Br)cc(Cl)c1[O-] ZINC000436900983 1021365966 /nfs/dbraw/zinc/36/59/66/1021365966.db2.gz KIXRRMZPAFPPKF-UHFFFAOYSA-N -1 0 342.576 3.766 20 0 EHADRM O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2)C1)c1cc(F)c([O-])c(F)c1 ZINC000436922623 1021378766 /nfs/dbraw/zinc/37/87/66/1021378766.db2.gz OVVCJVSEEGAVRV-BXUZGUMPSA-N -1 0 335.325 3.876 20 0 EHADRM Cc1cccc2c1N(C1CC1)CCN2C(=O)c1ccc(Cl)cc1[O-] ZINC000436923060 1021382835 /nfs/dbraw/zinc/38/28/35/1021382835.db2.gz ALNDLTUKLWQWKH-UHFFFAOYSA-N -1 0 342.826 3.983 20 0 EHADRM CC(C)(CC(=O)NCc1ccc(-c2ccccc2)cc1F)C(=O)[O-] ZINC000427441915 1021404263 /nfs/dbraw/zinc/40/42/63/1021404263.db2.gz NJRHESLYTWVKLV-UHFFFAOYSA-N -1 0 329.371 3.610 20 0 EHADRM CCC(CC)(NC(=O)Nc1cccc(-c2nc(C)cs2)c1)C(=O)[O-] ZINC000518672398 1021408634 /nfs/dbraw/zinc/40/86/34/1021408634.db2.gz QTKUZANPGIZLDE-UHFFFAOYSA-N -1 0 347.440 3.883 20 0 EHADRM CC1(c2ccccc2)CCC(NC(=O)C(=O)c2ccc(O)cc2)CC1 ZINC000436965382 1021412772 /nfs/dbraw/zinc/41/27/72/1021412772.db2.gz RSLWLGHOROFSHB-UHFFFAOYSA-N -1 0 337.419 3.592 20 0 EHADRM CC(C)(C)OC1CC(CCNC(=O)c2ccc([O-])c(Cl)c2)C1 ZINC000436951774 1021416849 /nfs/dbraw/zinc/41/68/49/1021416849.db2.gz SYXZPEJKGHCLCL-UHFFFAOYSA-N -1 0 325.836 3.759 20 0 EHADRM O=C(N[C@H]1COc2ccc(Cl)cc21)c1cc(F)c([O-])c(Cl)c1 ZINC000436954004 1021419228 /nfs/dbraw/zinc/41/92/28/1021419228.db2.gz CVVPZULDCIHTMC-LBPRGKRZSA-N -1 0 342.153 3.702 20 0 EHADRM Cc1ccnc(-c2noc(-c3cc(Oc4ccccc4)ccc3O)n2)n1 ZINC000436956613 1021421416 /nfs/dbraw/zinc/42/14/16/1021421416.db2.gz NXUCOIFHFUYAIA-UHFFFAOYSA-N -1 0 346.346 4.000 20 0 EHADRM CCC1(CC)[C@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)C[C@@H]1OC ZINC000436957584 1021421691 /nfs/dbraw/zinc/42/16/91/1021421691.db2.gz YNXICUYEUPQSHB-OLZOCXBDSA-N -1 0 329.799 3.508 20 0 EHADRM CC(C)(C)[C@H]1C[C@@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)CCO1 ZINC000436981348 1021436544 /nfs/dbraw/zinc/43/65/44/1021436544.db2.gz QZLZLUUPFNAUTH-GXFFZTMASA-N -1 0 329.799 3.508 20 0 EHADRM COCc1cccc2sc(NC(=O)c3c([O-])cccc3F)nc21 ZINC000436981895 1021437148 /nfs/dbraw/zinc/43/71/48/1021437148.db2.gz VWFFDQDOXKMMTK-UHFFFAOYSA-N -1 0 332.356 3.540 20 0 EHADRM O=C(Nc1cc(C2CC2)nn1-c1ccccc1)c1c([O-])cccc1F ZINC000436983064 1021440168 /nfs/dbraw/zinc/44/01/68/1021440168.db2.gz ZTCAZBFJQYRLKQ-UHFFFAOYSA-N -1 0 337.354 3.847 20 0 EHADRM CCN(C(=O)c1cc(F)cc(Br)c1[O-])C1CCCC1 ZINC000436997641 1021455294 /nfs/dbraw/zinc/45/52/94/1021455294.db2.gz NTNPAUPAACSNKB-UHFFFAOYSA-N -1 0 330.197 3.699 20 0 EHADRM CC(C)(CNC(=O)c1cc(F)c([O-])c(Cl)c1)Oc1ccccc1 ZINC000437004482 1021462900 /nfs/dbraw/zinc/46/29/00/1021462900.db2.gz UJCKWTWBEUDAKI-UHFFFAOYSA-N -1 0 337.778 3.772 20 0 EHADRM COCCC[C@@H](Cc1ccccc1)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000437005967 1021463255 /nfs/dbraw/zinc/46/32/55/1021463255.db2.gz XHLACVWIKILGTA-INIZCTEOSA-N -1 0 347.842 3.813 20 0 EHADRM Cc1ccc(F)c(NC(=O)c2cc(F)cc(Br)c2[O-])c1 ZINC000436998912 1021468855 /nfs/dbraw/zinc/46/88/55/1021468855.db2.gz KGYCCJZXLWOLCB-UHFFFAOYSA-N -1 0 342.139 3.994 20 0 EHADRM CCN(C(=O)c1nn(-c2cccc(F)c2)cc1[O-])[C@H]1CCCC[C@H]1C ZINC000550298384 1021523354 /nfs/dbraw/zinc/52/33/54/1021523354.db2.gz AXWDXKLSFKVNKX-CJNGLKHVSA-N -1 0 345.418 3.758 20 0 EHADRM O=C([O-])[C@@]12CCC[C@@H]1CN(C(=O)c1ccc3c(c1)Cc1ccccc1-3)C2 ZINC000341366236 1021549441 /nfs/dbraw/zinc/54/94/41/1021549441.db2.gz RYRHNEMKJYKGRD-VGOFRKELSA-N -1 0 347.414 3.585 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)cc1 ZINC000607103239 1032988231 /nfs/dbraw/zinc/98/82/31/1032988231.db2.gz WZVVFCWBOQRYCY-UHFFFAOYSA-N -1 0 349.477 3.998 20 0 EHADRM C[C@@H](CC(=O)N=c1nc(-c2ccsc2)[n-]s1)c1ccccc1 ZINC000518786985 1021560940 /nfs/dbraw/zinc/56/09/40/1021560940.db2.gz KOPNWXRTTCNTQT-NSHDSACASA-N -1 0 329.450 3.821 20 0 EHADRM O=S(=O)([N-]c1ccc2c3c(cccc31)CC2)c1ccccc1F ZINC000139634466 1032989097 /nfs/dbraw/zinc/98/90/97/1032989097.db2.gz QOGRLXYLJPGRHF-UHFFFAOYSA-N -1 0 327.380 3.878 20 0 EHADRM CCCc1nnc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)s1 ZINC000437166695 1021606597 /nfs/dbraw/zinc/60/65/97/1021606597.db2.gz SAHDOUBYBZGVNJ-UHFFFAOYSA-N -1 0 339.486 3.589 20 0 EHADRM CCCCc1nnc([N-]S(=O)(=O)c2cccc3ccccc32)s1 ZINC000437174168 1021613262 /nfs/dbraw/zinc/61/32/62/1021613262.db2.gz WRXATRAXCAJLRK-UHFFFAOYSA-N -1 0 347.465 3.835 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)C1 ZINC000516742431 1021688869 /nfs/dbraw/zinc/68/88/69/1021688869.db2.gz SDWPJOXQOYVRCJ-UGSOOPFHSA-N -1 0 348.418 3.563 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cn2)cc1C ZINC000437307644 1021719131 /nfs/dbraw/zinc/71/91/31/1021719131.db2.gz QPJCTFPRVIWVPC-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cc(F)ccc2OCC2CC2)s1 ZINC000439804410 1021728623 /nfs/dbraw/zinc/72/86/23/1021728623.db2.gz IMBQKAHAAUXOCW-UHFFFAOYSA-N -1 0 335.356 3.627 20 0 EHADRM Cc1nc(CN=c2[n-]nc([C@@H]3CCCc4ccccc43)s2)cs1 ZINC000519859430 1021728901 /nfs/dbraw/zinc/72/89/01/1021728901.db2.gz INRVGOOJHYCJTM-OAHLLOKOSA-N -1 0 342.493 3.805 20 0 EHADRM CCSc1ccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1 ZINC000439894971 1021810179 /nfs/dbraw/zinc/81/01/79/1021810179.db2.gz OYLTXOBMZMWPTA-IMJJTQAJSA-N -1 0 333.453 3.657 20 0 EHADRM Cc1cccc(C[C@H](CNC(=O)c2ccc(Cl)cc2C)C(=O)[O-])c1 ZINC000439901310 1021813926 /nfs/dbraw/zinc/81/39/26/1021813926.db2.gz KVARBXABRGIGHK-OAHLLOKOSA-N -1 0 345.826 3.630 20 0 EHADRM Cc1ccc(C[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c2ccccc2C)cc1 ZINC000439916992 1021822862 /nfs/dbraw/zinc/82/28/62/1021822862.db2.gz GOEHFWORYBXMEO-VQIMIIECSA-N -1 0 339.435 3.814 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000516904633 1021825677 /nfs/dbraw/zinc/82/56/77/1021825677.db2.gz OZVVLUHTTONHKF-GFCCVEGCSA-N -1 0 348.859 3.690 20 0 EHADRM CCSc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000439927082 1021832611 /nfs/dbraw/zinc/83/26/11/1021832611.db2.gz WWFHDSXHKRYPEG-INIZCTEOSA-N -1 0 329.421 3.744 20 0 EHADRM CCN(CC)C(=O)N(C)[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000548244088 1021852105 /nfs/dbraw/zinc/85/21/05/1021852105.db2.gz HPXRWNWGUFOMQA-GFCCVEGCSA-N -1 0 333.215 3.513 20 0 EHADRM CCCOc1ccc(CNC(=O)CC2CCC(C(=O)[O-])CC2)c(C)c1 ZINC000516929572 1021864435 /nfs/dbraw/zinc/86/44/35/1021864435.db2.gz GPUJJIWCHYCOEY-UHFFFAOYSA-N -1 0 347.455 3.681 20 0 EHADRM COC(=O)C(C)(C)c1ccc(NC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000440041621 1021919695 /nfs/dbraw/zinc/91/96/95/1021919695.db2.gz BWXQNKRWNULIMA-UHFFFAOYSA-N -1 0 347.798 3.749 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N2Cc3ccccc3C[C@@H]2C)s1 ZINC000437576881 1021961792 /nfs/dbraw/zinc/96/17/92/1021961792.db2.gz IWRHIJPYBIJGMU-ZDUSSCGKSA-N -1 0 344.484 3.671 20 0 EHADRM O=C(c1cccc(Br)c1[O-])N1CC[C@@H](c2ccccc2)C1 ZINC000519334032 1022007370 /nfs/dbraw/zinc/00/73/70/1022007370.db2.gz VHPJCTZKVAXXPX-CYBMUJFWSA-N -1 0 346.224 3.784 20 0 EHADRM COCCc1nc(=N[C@H](c2ccc(Cl)cc2)C(C)C)s[n-]1 ZINC000426601320 1022008173 /nfs/dbraw/zinc/00/81/73/1022008173.db2.gz SRWZSIDVTHIKCK-AWEZNQCLSA-N -1 0 325.865 3.612 20 0 EHADRM CC[C@H](C)n1ncc(N=c2[n-]nc(C(F)(F)F)s2)c1C1CC1 ZINC000517155373 1022066729 /nfs/dbraw/zinc/06/67/29/1022066729.db2.gz JUYRSCQKHFMWDY-ZETCQYMHSA-N -1 0 331.367 3.767 20 0 EHADRM CCn1c(CN(C)Cc2ccccc2F)nc2cc(C(=O)[O-])ccc21 ZINC000519412907 1022069155 /nfs/dbraw/zinc/06/91/55/1022069155.db2.gz SSJLXBDTIZSEDW-UHFFFAOYSA-N -1 0 341.386 3.526 20 0 EHADRM Fc1ccc(-c2ccc(CN=c3[n-]ncn3Cc3ccccc3)o2)cc1 ZINC000548288755 1022082997 /nfs/dbraw/zinc/08/29/97/1022082997.db2.gz GBDNZGIXIBJOTB-UHFFFAOYSA-N -1 0 348.381 3.760 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)[C@@H]1CCCc2ccccc21 ZINC000440404171 1022170013 /nfs/dbraw/zinc/17/00/13/1022170013.db2.gz HQCBRRIVPHHDIQ-GOSISDBHSA-N -1 0 329.403 3.624 20 0 EHADRM O=C(CCC(F)F)Nc1cc(Br)cc(Cl)c1[O-] ZINC000684469117 1022313897 /nfs/dbraw/zinc/31/38/97/1022313897.db2.gz DIJZAFNZQGNJET-UHFFFAOYSA-N -1 0 328.540 3.792 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2scnc2C2CC2)ccc1Cl ZINC000655573282 1022347489 /nfs/dbraw/zinc/34/74/89/1022347489.db2.gz OADZMSLNYBKBED-UHFFFAOYSA-N -1 0 328.846 3.783 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655574486 1022384602 /nfs/dbraw/zinc/38/46/02/1022384602.db2.gz AKAPRXNIOBGCQU-SJRVDFGRSA-N -1 0 335.488 3.845 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)NC[C@@H]1CC=CCC1 ZINC000581922107 1022400762 /nfs/dbraw/zinc/40/07/62/1022400762.db2.gz JWFUTRMKFHKCDZ-WBVHZDCISA-N -1 0 330.428 3.590 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)C[C@H](C)c2ccco2)c1C ZINC000528907097 1033051103 /nfs/dbraw/zinc/05/11/03/1033051103.db2.gz DGZIGPSMNGXXNV-ZDUSSCGKSA-N -1 0 349.452 3.512 20 0 EHADRM CSCc1cccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1 ZINC000517594477 1022467560 /nfs/dbraw/zinc/46/75/60/1022467560.db2.gz ZEXIGNFAHZYJOV-UHFFFAOYSA-N -1 0 347.383 3.768 20 0 EHADRM C[C@@H](CCc1ccccc1)Sc1n[n-]c(=NC[C@H]2CCCO2)s1 ZINC000614513553 1022513472 /nfs/dbraw/zinc/51/34/72/1022513472.db2.gz SWJGRQZDDKPPJO-DZGCQCFKSA-N -1 0 349.525 3.664 20 0 EHADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)c1s[n-]c(=O)c1Cl ZINC000550150593 1022579790 /nfs/dbraw/zinc/57/97/90/1022579790.db2.gz RLZPZGORVAEBHR-SSDOTTSWSA-N -1 0 331.224 3.989 20 0 EHADRM CC1(C)CN(Cc2ncc(Br)cc2[O-])[C@@H]1c1cccnc1 ZINC000894585863 1022591997 /nfs/dbraw/zinc/59/19/97/1022591997.db2.gz VUEWHDARXNDVDD-OAHLLOKOSA-N -1 0 348.244 3.528 20 0 EHADRM CC[C@@H]1CC[C@H](C(=O)Nc2cc(Br)cc(Cl)c2[O-])O1 ZINC000330516526 1022594871 /nfs/dbraw/zinc/59/48/71/1022594871.db2.gz WNCNTINVUXKCND-LDYMZIIASA-N -1 0 348.624 3.704 20 0 EHADRM CCc1cccc(C(=O)N2CCC(c3cccc(OC)c3)CC2)c1O ZINC000548379089 1022618363 /nfs/dbraw/zinc/61/83/63/1022618363.db2.gz FLDIBUOKAWNXRP-UHFFFAOYSA-N -1 0 339.435 3.983 20 0 EHADRM C[C@@H](NC(=O)CCc1ccc(Cl)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655582232 1022704369 /nfs/dbraw/zinc/70/43/69/1022704369.db2.gz JDKJMCWSAXYTLO-BYCMXARLSA-N -1 0 337.847 3.524 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2cccc(Cl)c2F)on1 ZINC000331140761 1022754161 /nfs/dbraw/zinc/75/41/61/1022754161.db2.gz KHLCTECBIPUSHL-UHFFFAOYSA-N -1 0 332.784 3.565 20 0 EHADRM CC(C)(C)c1ccc(Oc2ccc(C(=O)N=c3cccn[n-]3)cn2)cc1 ZINC000607309980 1033077922 /nfs/dbraw/zinc/07/79/22/1033077922.db2.gz LIQBYUXAZSOSLF-UHFFFAOYSA-N -1 0 348.406 3.636 20 0 EHADRM CC(F)(F)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000188562691 1022827045 /nfs/dbraw/zinc/82/70/45/1022827045.db2.gz WJPCRBVTLOBWAO-UHFFFAOYSA-N -1 0 333.306 3.877 20 0 EHADRM CCCc1cc(C(=O)N=c2nc(-c3cccnc3)[n-]s2)sc1C ZINC000535175379 1022866967 /nfs/dbraw/zinc/86/69/67/1022866967.db2.gz WNQOPLMHXADMFM-UHFFFAOYSA-N -1 0 344.465 3.597 20 0 EHADRM CCOC(=O)c1ccc(NC(=O)c2cc3cc(C)ccc3o2)c(O)c1 ZINC000536335830 1022879154 /nfs/dbraw/zinc/87/91/54/1022879154.db2.gz LYZZNPACEMWWGH-UHFFFAOYSA-N -1 0 339.347 3.876 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)Nc2ccc(Br)cc2)c1 ZINC000476278874 1033093928 /nfs/dbraw/zinc/09/39/28/1033093928.db2.gz SAMMEEIPOZXHDO-UHFFFAOYSA-N -1 0 344.205 3.697 20 0 EHADRM CC[C@H](c1n[n-]c(=NC(=O)NCC2CCCC2)s1)c1ccccc1 ZINC000518053381 1022950670 /nfs/dbraw/zinc/95/06/70/1022950670.db2.gz NQCLIUHNHHVYOC-HNNXBMFYSA-N -1 0 344.484 3.814 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(CNCc2cc(C(=O)[O-])co2)o1 ZINC000426688793 1022976674 /nfs/dbraw/zinc/97/66/74/1022976674.db2.gz SGJDHCBJKZLGGG-UHFFFAOYSA-N -1 0 329.327 3.975 20 0 EHADRM O=S(=O)([N-]c1noc2cc(Cl)ccc21)c1cc(F)cc(F)c1 ZINC000563912267 1033099403 /nfs/dbraw/zinc/09/94/03/1033099403.db2.gz TXLOCVNXTUHCND-UHFFFAOYSA-N -1 0 344.726 3.560 20 0 EHADRM O=C([O-])[C@H](NCc1ccc(OCC2CC2)cc1)c1c(F)cccc1F ZINC000426747709 1023018209 /nfs/dbraw/zinc/01/82/09/1023018209.db2.gz RIDVLLWXDQZIMF-GOSISDBHSA-N -1 0 347.361 3.669 20 0 EHADRM O=C([O-])[C@@H](NCc1ncc(-c2ccccc2)s1)c1ccsc1 ZINC000426795879 1023051391 /nfs/dbraw/zinc/05/13/91/1023051391.db2.gz ZJKUARNADIEBQK-HNNXBMFYSA-N -1 0 330.434 3.787 20 0 EHADRM O=C([O-])[C@H](NCc1cnc(-c2ccsc2)s1)c1ccccc1 ZINC000426797621 1023054116 /nfs/dbraw/zinc/05/41/16/1023054116.db2.gz BMROMTBXFCTSSV-CQSZACIVSA-N -1 0 330.434 3.787 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cnc3onc(C4CC4)c3c2)cc1C ZINC000574381461 1033101747 /nfs/dbraw/zinc/10/17/47/1033101747.db2.gz VEETUGLGXXHLHH-UHFFFAOYSA-N -1 0 343.408 3.518 20 0 EHADRM CCc1ccc([C@@H](NCc2cc(-c3ccccc3)n[nH]2)C(=O)[O-])cc1 ZINC000426813234 1023062008 /nfs/dbraw/zinc/06/20/08/1023062008.db2.gz VKTUGCRZBCYAFG-LJQANCHMSA-N -1 0 335.407 3.555 20 0 EHADRM CCc1ccc([C@@H](NCc2nn(CC)c3ccccc23)C(=O)[O-])cc1 ZINC000426815822 1023063816 /nfs/dbraw/zinc/06/38/16/1023063816.db2.gz HNIMIZPLJGRBQZ-LJQANCHMSA-N -1 0 337.423 3.534 20 0 EHADRM COc1ccc(C)cc1CN[C@@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000426836689 1023074183 /nfs/dbraw/zinc/07/41/83/1023074183.db2.gz UZXDTWUGMMHIFY-INIZCTEOSA-N -1 0 335.350 3.587 20 0 EHADRM CC(C)C[C@@H](C)Oc1cc(CN=c2nc(C3CC3)[n-]s2)ccn1 ZINC000426880690 1023097340 /nfs/dbraw/zinc/09/73/40/1023097340.db2.gz AUISXMGHZZNGAQ-GFCCVEGCSA-N -1 0 332.473 3.658 20 0 EHADRM CO[C@H](C)c1nc(=NCc2ccc(C)cc2OC(C)(C)C)s[n-]1 ZINC000509583259 1023099065 /nfs/dbraw/zinc/09/90/65/1023099065.db2.gz CNLGZNIWQSBNGL-GFCCVEGCSA-N -1 0 335.473 3.765 20 0 EHADRM COCCc1nc(=NCCCc2ccc(Cl)cc2Cl)s[n-]1 ZINC000426905951 1023108361 /nfs/dbraw/zinc/10/83/61/1023108361.db2.gz XWTBHTHDWVEEST-UHFFFAOYSA-N -1 0 346.283 3.500 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)s1 ZINC000518245081 1023152833 /nfs/dbraw/zinc/15/28/33/1023152833.db2.gz FOXAUEBMSWKKDR-ZDUSSCGKSA-N -1 0 344.484 3.745 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)s1 ZINC000518245080 1023153121 /nfs/dbraw/zinc/15/31/21/1023153121.db2.gz FOXAUEBMSWKKDR-CYBMUJFWSA-N -1 0 344.484 3.745 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)s1 ZINC000439003282 1023202090 /nfs/dbraw/zinc/20/20/90/1023202090.db2.gz FNOHIVSMZCAGNC-UHFFFAOYSA-N -1 0 335.454 3.723 20 0 EHADRM O=C([O-])[C@H]1CC[C@@H]1C(=O)Nc1ccc(F)cc1Nc1ccccc1F ZINC000507298440 1023234024 /nfs/dbraw/zinc/23/40/24/1023234024.db2.gz JYRIDUJVJCNSAE-RYUDHWBXSA-N -1 0 346.333 3.758 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1ccccc1Oc1cc(F)cc(F)c1 ZINC000507312623 1023240700 /nfs/dbraw/zinc/24/07/00/1023240700.db2.gz UMWKFFJQGBOCQQ-ZIAGYGMSSA-N -1 0 347.317 3.806 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)s1 ZINC000439065629 1023255004 /nfs/dbraw/zinc/25/50/04/1023255004.db2.gz PANLEXBNIKNHCA-UHFFFAOYSA-N -1 0 335.454 3.723 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)s1 ZINC000431168475 1023371449 /nfs/dbraw/zinc/37/14/49/1023371449.db2.gz REMQKAYEMZQDFS-UHFFFAOYSA-N -1 0 337.466 3.955 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2sc(C)cc2C)ccc1Cl ZINC000431169239 1023371696 /nfs/dbraw/zinc/37/16/96/1023371696.db2.gz RYNHQQDOCWEIIT-UHFFFAOYSA-N -1 0 331.846 3.828 20 0 EHADRM CC(C)Oc1ccccc1[N-]S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000471949297 1023392450 /nfs/dbraw/zinc/39/24/50/1023392450.db2.gz SZJGTTXMQVOFOW-UHFFFAOYSA-N -1 0 348.399 3.895 20 0 EHADRM CN(C(=O)Nc1ccc(Br)c(C(=O)[O-])c1)C1CCCC1 ZINC000132494690 1023416629 /nfs/dbraw/zinc/41/66/29/1023416629.db2.gz QCNPXMNSDLWTOL-UHFFFAOYSA-N -1 0 341.205 3.554 20 0 EHADRM CSc1cccc(C)c1[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000471976380 1023540170 /nfs/dbraw/zinc/54/01/70/1023540170.db2.gz FLKCCOGSKITBRB-UHFFFAOYSA-N -1 0 325.430 3.965 20 0 EHADRM CCSCc1ccc(C(=O)N(CC(=O)[O-])C2CCCCC2)cc1 ZINC000610846082 1023788748 /nfs/dbraw/zinc/78/87/48/1023788748.db2.gz ZQOUGLQXKGKMKN-UHFFFAOYSA-N -1 0 335.469 3.799 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1ccc(OC(F)F)cc1 ZINC000471985453 1023870102 /nfs/dbraw/zinc/87/01/02/1023870102.db2.gz MDBDGTFGSLAMBB-UHFFFAOYSA-N -1 0 335.306 3.855 20 0 EHADRM O=S(=O)([N-]c1cccc2ccsc21)c1ccc2c(c1)COC2 ZINC000443466729 1023998184 /nfs/dbraw/zinc/99/81/84/1023998184.db2.gz PYAUBZQRGHQHST-UHFFFAOYSA-N -1 0 331.418 3.732 20 0 EHADRM Cc1ccc(NC(=O)c2c(=O)n(-c3ccccc3)[n-]c2C(C)C)s1 ZINC000505420303 1024020436 /nfs/dbraw/zinc/02/04/36/1024020436.db2.gz IRRXKPNFGQXKLK-HNNXBMFYSA-N -1 0 341.436 3.670 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)NC[C@H](C)CC(=O)[O-] ZINC000191216256 1024057957 /nfs/dbraw/zinc/05/79/57/1024057957.db2.gz KANZUKBESRUMMM-LLVKDONJSA-N -1 0 325.364 3.735 20 0 EHADRM Cc1nc([C@H](C)NC(=O)C(C)(C)C2CCCCC2)sc1C(=O)[O-] ZINC000909509783 1024063781 /nfs/dbraw/zinc/06/37/81/1024063781.db2.gz YVHKQFZTCNKZCD-NSHDSACASA-N -1 0 338.473 3.933 20 0 EHADRM CC(C)OCc1cccc(-c2cncc([C@@H]3OCC[C@H]3C(=O)[O-])c2)c1 ZINC000657203698 1024083957 /nfs/dbraw/zinc/08/39/57/1024083957.db2.gz NEXBUUMCRIKROL-MOPGFXCFSA-N -1 0 341.407 3.836 20 0 EHADRM COc1c(-c2cccc(CO[C@H]3CCOC3)c2)ccc(F)c1C(=O)[O-] ZINC000657203592 1024083991 /nfs/dbraw/zinc/08/39/91/1024083991.db2.gz LCZYRCCBINTYTA-AWEZNQCLSA-N -1 0 346.354 3.505 20 0 EHADRM CC(C)C[C@H](C)OCCC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000191415415 1024085672 /nfs/dbraw/zinc/08/56/72/1024085672.db2.gz PECUGSGTEJVXBQ-GJZGRUSLSA-N -1 0 335.444 3.730 20 0 EHADRM O=C([O-])CS(=O)(=O)Cc1cccc(-c2cccc(C3CCC3)c2)c1 ZINC000657206084 1024105093 /nfs/dbraw/zinc/10/50/93/1024105093.db2.gz DXNDMAZTIXTEBH-UHFFFAOYSA-N -1 0 344.432 3.621 20 0 EHADRM O=C(N=c1nc(-c2ccsc2)[n-]s1)c1c[nH]c2cc(F)ccc21 ZINC000434521913 1024110629 /nfs/dbraw/zinc/11/06/29/1024110629.db2.gz ICJSLSJBHASDLQ-UHFFFAOYSA-N -1 0 344.396 3.561 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2ncn(C3CCCCC3)n2)c(C)c1 ZINC000182568299 1024111064 /nfs/dbraw/zinc/11/10/64/1024111064.db2.gz WFVJJXOCRYOEAY-UHFFFAOYSA-N -1 0 348.472 3.509 20 0 EHADRM COCCCOc1ccc(-c2ccccc2[C@@H](OC)C(=O)[O-])cc1 ZINC000657207073 1024114500 /nfs/dbraw/zinc/11/45/00/1024114500.db2.gz HLVMJRLCELNSJM-GOSISDBHSA-N -1 0 330.380 3.541 20 0 EHADRM O=C([O-])[C@H](CC1CCC1)[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000669479821 1024122280 /nfs/dbraw/zinc/12/22/80/1024122280.db2.gz DNVYAYWGBWKRSC-LBPRGKRZSA-N -1 0 333.762 3.674 20 0 EHADRM COCCCOc1ccc(-c2cccc(OCCC(=O)[O-])c2)cc1 ZINC000657207350 1024130868 /nfs/dbraw/zinc/13/08/68/1024130868.db2.gz OIQHDPRIECZLHV-UHFFFAOYSA-N -1 0 330.380 3.622 20 0 EHADRM CC[C@H](C)[C@H]([N-]S(=O)(=O)Cc1ccc(C)c(F)c1)C(F)(F)F ZINC000443936592 1024133988 /nfs/dbraw/zinc/13/39/88/1024133988.db2.gz RFUMGBOHFZNSNR-ZANVPECISA-N -1 0 341.370 3.531 20 0 EHADRM CC[C@H](Cc1ccc(NCc2ccc(OC)c(O)c2)cc1)C(=O)[O-] ZINC000417605093 1024139938 /nfs/dbraw/zinc/13/99/38/1024139938.db2.gz ACLOHXFOXUBNPT-OAHLLOKOSA-N -1 0 329.396 3.666 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc2cc(Cl)ccc2o1 ZINC000262340084 1024206373 /nfs/dbraw/zinc/20/63/73/1024206373.db2.gz YGSDHBSMXAICOL-SWHYSGLUSA-N -1 0 347.798 3.944 20 0 EHADRM CCC(=O)c1cccc([N-]S(=O)(=O)c2c(C)cc(C)cc2OC)c1 ZINC000434633640 1024212130 /nfs/dbraw/zinc/21/21/30/1024212130.db2.gz KBIDLMPJSPWYAD-UHFFFAOYSA-N -1 0 347.436 3.706 20 0 EHADRM CCOC(=O)c1c(C)nsc1[N-]c1cnc(Br)s1 ZINC001216264792 1024270228 /nfs/dbraw/zinc/27/02/28/1024270228.db2.gz IQBGFCXGBCXZRY-UHFFFAOYSA-N -1 0 348.247 3.591 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000262118225 1024279270 /nfs/dbraw/zinc/27/92/70/1024279270.db2.gz IEZFSTAJIYAPLI-CHWSQXEVSA-N -1 0 337.382 3.897 20 0 EHADRM C[C@H](C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)C1CCOCC1 ZINC000192874491 1024286381 /nfs/dbraw/zinc/28/63/81/1024286381.db2.gz IIMBENTXXWOKHV-JTQLQIEISA-N -1 0 333.409 3.601 20 0 EHADRM COc1ccc(-c2ccccn2)nc1Nc1cc(C)cc(C(=O)[O-])c1 ZINC001211535133 1024310226 /nfs/dbraw/zinc/31/02/26/1024310226.db2.gz PIEVQHGGCUGKIU-UHFFFAOYSA-N -1 0 335.363 3.902 20 0 EHADRM Cn1ccc2cccc(N=C([O-])Nc3nc(-c4ccccc4)ns3)c21 ZINC000472017785 1024317117 /nfs/dbraw/zinc/31/71/17/1024317117.db2.gz QRUSUKDDSAQZNB-UHFFFAOYSA-N -1 0 349.419 3.763 20 0 EHADRM CC1(C)CN(C(=O)c2cc(F)c([O-])c(F)c2)CC[C@H]1C(F)(F)F ZINC000190709010 1024366275 /nfs/dbraw/zinc/36/62/75/1024366275.db2.gz YUHLZUFDHMCYHH-LLVKDONJSA-N -1 0 337.288 3.721 20 0 EHADRM CC(C)CC[C@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)C(C)(C)C ZINC000522397315 1024433145 /nfs/dbraw/zinc/43/31/45/1024433145.db2.gz UGXAWWRDOWRATP-HNNXBMFYSA-N -1 0 345.443 3.611 20 0 EHADRM CC[C@H](C)CN(C)C(=O)c1cccc(C(=O)N(C)C[C@@H](C)CC)c1[O-] ZINC000280923635 1024438124 /nfs/dbraw/zinc/43/81/24/1024438124.db2.gz JTGWIGLRWNMVSH-GJZGRUSLSA-N -1 0 348.487 3.628 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)c1sc2cccc(F)c2c1Cl ZINC000909445918 1024460945 /nfs/dbraw/zinc/46/09/45/1024460945.db2.gz VYZWBKFVEWUFID-SSDOTTSWSA-N -1 0 329.780 3.677 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nnc(CC3CCCCC3)o2)c(C)c1 ZINC000194894779 1024464064 /nfs/dbraw/zinc/46/40/64/1024464064.db2.gz VSHOEGLGXASHML-UHFFFAOYSA-N -1 0 349.456 3.610 20 0 EHADRM Oc1cc(F)cc(CNc2ccc(Cc3nnc4ccccn43)cc2)c1 ZINC000472051863 1024497989 /nfs/dbraw/zinc/49/79/89/1024497989.db2.gz IFMVJPYSHJMTNA-UHFFFAOYSA-N -1 0 348.381 3.777 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1cc(-c2ccccc2C)[nH]n1 ZINC000434958408 1024525082 /nfs/dbraw/zinc/52/50/82/1024525082.db2.gz FKXQKYILIWSTKI-UHFFFAOYSA-N -1 0 333.438 3.556 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cc3cccnc3c(OC)c2)s1 ZINC000427640748 1024613125 /nfs/dbraw/zinc/61/31/25/1024613125.db2.gz BWQMASIENBFWPH-UHFFFAOYSA-N -1 0 348.449 3.668 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000237305217 1024646085 /nfs/dbraw/zinc/64/60/85/1024646085.db2.gz NNPDXDVILMCAJI-LBPRGKRZSA-N -1 0 327.380 3.834 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)CC(C)(C)CC(F)F)cc1)C(=O)[O-] ZINC000909525359 1024664505 /nfs/dbraw/zinc/66/45/05/1024664505.db2.gz XCTRJOBAWHQZDR-NSHDSACASA-N -1 0 327.371 3.960 20 0 EHADRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1nc(C(C)C)cs1 ZINC000548610200 1024685792 /nfs/dbraw/zinc/68/57/92/1024685792.db2.gz JPUOYUSVGCVXMS-UHFFFAOYSA-N -1 0 347.465 3.924 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2noc3ccc(Cl)cc32)sc1C ZINC000427786402 1024792335 /nfs/dbraw/zinc/79/23/35/1024792335.db2.gz SZDBTEXMCQIZIC-UHFFFAOYSA-N -1 0 342.829 3.960 20 0 EHADRM CCCOc1ccc(S(=O)(=O)[N-]c2nc(C(C)(C)C)co2)cc1 ZINC000427783436 1024792395 /nfs/dbraw/zinc/79/23/95/1024792395.db2.gz YAMVGGZEJHNMPL-UHFFFAOYSA-N -1 0 338.429 3.562 20 0 EHADRM CCC1(CC)Oc2ccc([N-]S(=O)(=O)c3ccsc3)cc2O1 ZINC000507979727 1024803730 /nfs/dbraw/zinc/80/37/30/1024803730.db2.gz OLNULMYRYLMUEY-UHFFFAOYSA-N -1 0 339.438 3.836 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)c(F)c(Cl)c1)c1ccsc1 ZINC000507986234 1024807314 /nfs/dbraw/zinc/80/73/14/1024807314.db2.gz NUWBATAJSWNVCO-UHFFFAOYSA-N -1 0 326.201 3.995 20 0 EHADRM CC(C)c1nn(C)cc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000281247408 1024818193 /nfs/dbraw/zinc/81/81/93/1024818193.db2.gz VROKDFCMFFMZIX-UHFFFAOYSA-N -1 0 348.255 3.651 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)C1 ZINC000514861796 1024818792 /nfs/dbraw/zinc/81/87/92/1024818792.db2.gz SHAZWUMLYSTTNT-MDASCCDHSA-N -1 0 337.419 3.657 20 0 EHADRM C[C@H]1CCCC[C@@H]1NC(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000684711121 1024861063 /nfs/dbraw/zinc/86/10/63/1024861063.db2.gz PVVJQJKNKQKLMD-HJWJTTGWSA-N -1 0 330.428 3.565 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)/C=C/c1ccc2ccccc2n1 ZINC000909462624 1024878443 /nfs/dbraw/zinc/87/84/43/1024878443.db2.gz FXUUAKAEVAZBCX-BUHFOSPRSA-N -1 0 340.423 3.789 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nc(C3CCC3)cs2)cc1F ZINC000514909737 1024879750 /nfs/dbraw/zinc/87/97/50/1024879750.db2.gz IEWQGLMMXFLVMX-UHFFFAOYSA-N -1 0 326.418 3.659 20 0 EHADRM C[C@H](NC(=O)N(CC(=O)[O-])C1CCCCC1)c1cc2ccccc2o1 ZINC000684713428 1024884409 /nfs/dbraw/zinc/88/44/09/1024884409.db2.gz GEBXJHWKPPDVIQ-ZDUSSCGKSA-N -1 0 344.411 3.923 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)[nH]n2)c(Cl)c1 ZINC000474417356 1024921702 /nfs/dbraw/zinc/92/17/02/1024921702.db2.gz WUDRPIHPWSNEFN-UHFFFAOYSA-N -1 0 339.848 3.830 20 0 EHADRM Cc1nn(-c2ccccc2)cc1NC(=O)c1cc(O)ccc1Cl ZINC000346074231 1024937813 /nfs/dbraw/zinc/93/78/13/1024937813.db2.gz HJHGPNRRHZASEW-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(C3CCCC3)[nH]n2)cc(C)c1F ZINC000474431204 1024957194 /nfs/dbraw/zinc/95/71/94/1024957194.db2.gz JQEWZVNYKIXPBG-UHFFFAOYSA-N -1 0 337.420 3.624 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)NCc1ccc(C(C)(C)C)cc1)C1CC1 ZINC000684719270 1024969322 /nfs/dbraw/zinc/96/93/22/1024969322.db2.gz VJPSYFGJROXJQX-INIZCTEOSA-N -1 0 332.444 3.521 20 0 EHADRM O=C(N=c1nc(Cc2ccc(F)cc2F)[n-]s1)C1=CCCCCC1 ZINC000515038667 1024978013 /nfs/dbraw/zinc/97/80/13/1024978013.db2.gz ANBJCHIOFAVBMP-UHFFFAOYSA-N -1 0 349.406 3.658 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000013058983 1024990675 /nfs/dbraw/zinc/99/06/75/1024990675.db2.gz KSUWLFSDJQKTHK-ZDUSSCGKSA-N -1 0 347.436 3.628 20 0 EHADRM Cc1nc(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)c(C)s1 ZINC000190898524 1025010271 /nfs/dbraw/zinc/01/02/71/1025010271.db2.gz AASQKTABLDGCHO-UHFFFAOYSA-N -1 0 332.406 3.925 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)c1c[nH]cc1-c1ccccc1F ZINC000909468733 1025010808 /nfs/dbraw/zinc/01/08/08/1025010808.db2.gz WTXQNYQJEQYXMO-UHFFFAOYSA-N -1 0 346.402 3.976 20 0 EHADRM CCCCOc1ccc([N-]S(=O)(=O)c2c(C)noc2C)c(C)c1 ZINC000119623685 1025083066 /nfs/dbraw/zinc/08/30/66/1025083066.db2.gz WAZZSMAIYBEUSL-UHFFFAOYSA-N -1 0 338.429 3.580 20 0 EHADRM CC[C@@H]1CCC[C@H](NC(=O)N(CC(=O)[O-])[C@H](C)c2ccccc2)C1 ZINC000684733789 1025089718 /nfs/dbraw/zinc/08/97/18/1025089718.db2.gz DJVREYZIXLMYGN-INMHGKMJSA-N -1 0 332.444 3.813 20 0 EHADRM Cc1ncccc1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435722827 1025107536 /nfs/dbraw/zinc/10/75/36/1025107536.db2.gz PAJDDTUPCHWBLP-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)Cc1c(Cl)cccc1Cl ZINC000262868179 1033260516 /nfs/dbraw/zinc/26/05/16/1033260516.db2.gz FXELCJRUSNUFCY-HNNXBMFYSA-N -1 0 332.227 3.542 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)Nc1ccc2oc(C)c(C)c2c1)C1CC1 ZINC000515371500 1025188062 /nfs/dbraw/zinc/18/80/62/1025188062.db2.gz WXEVMDCVACWZJR-HNNXBMFYSA-N -1 0 330.384 3.909 20 0 EHADRM O=C([O-])CCCNC(=O)N1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000521212061 1025267330 /nfs/dbraw/zinc/26/73/30/1025267330.db2.gz SWAFNMCHOIYZBD-CFYYFVFUSA-N -1 0 336.457 3.580 20 0 EHADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1SC ZINC000436005770 1025301709 /nfs/dbraw/zinc/30/17/09/1025301709.db2.gz HRNIUWVLELBUNC-UHFFFAOYSA-N -1 0 343.857 3.871 20 0 EHADRM Cc1nc([C@H](C)NC(=O)c2cccc(C3CC3)c2)sc1C(=O)[O-] ZINC000521369978 1025357508 /nfs/dbraw/zinc/35/75/08/1025357508.db2.gz JLTJWOFEOAZFEI-JTQLQIEISA-N -1 0 330.409 3.518 20 0 EHADRM CC(C)CCOCCSc1n[n-]c(=NCc2ccccc2)s1 ZINC000515599442 1025394622 /nfs/dbraw/zinc/39/46/22/1025394622.db2.gz AISHQXBWYHPUFE-UHFFFAOYSA-N -1 0 337.514 3.727 20 0 EHADRM C[C@@](CC(=O)Nc1cccc2c1CCCC2)(C(=O)[O-])c1ccccc1 ZINC000013466624 1025397925 /nfs/dbraw/zinc/39/79/25/1025397925.db2.gz TYRNOQUBEDWPQL-NRFANRHFSA-N -1 0 337.419 3.937 20 0 EHADRM COc1ccc2nc(C(=O)Nc3ccc(C)c(C(=O)[O-])c3)ccc2c1 ZINC000191036000 1025408589 /nfs/dbraw/zinc/40/85/89/1025408589.db2.gz HVYLTBZUVOZHQM-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM CO[C@@H](C)c1nc(=NC(=O)C[C@@H](C)c2ccc(C(C)C)cc2)s[n-]1 ZINC000511084695 1025450020 /nfs/dbraw/zinc/45/00/20/1025450020.db2.gz GFJHFQFVZIEXOV-OLZOCXBDSA-N -1 0 347.484 3.923 20 0 EHADRM CCc1c([N-]S(=O)(=O)c2cc(C)cs2)cnn1C(CC)CC ZINC000451044622 1025464484 /nfs/dbraw/zinc/46/44/84/1025464484.db2.gz WIHFDELEVGSZHY-UHFFFAOYSA-N -1 0 341.502 3.977 20 0 EHADRM Cc1cc(C)cc([N-]S(=O)(=O)c2cnccc2C(F)(F)F)c1 ZINC000442820448 1025499996 /nfs/dbraw/zinc/49/99/96/1025499996.db2.gz SRYJLVOIZRDVRH-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM CC(C)CCC[C@@H](C)NC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000391964638 1025538503 /nfs/dbraw/zinc/53/85/03/1025538503.db2.gz NRTLBXIABUSYRL-RHSMWYFYSA-N -1 0 332.444 3.595 20 0 EHADRM CCSc1cccc(F)c1NC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000521625508 1025550656 /nfs/dbraw/zinc/55/06/56/1025550656.db2.gz MDFFOKOCLZSCRF-WDEREUQCSA-N -1 0 340.420 3.512 20 0 EHADRM CCN(Cc1ccccc1)C(=O)c1cccc(Br)c1[O-] ZINC000521648429 1025560360 /nfs/dbraw/zinc/56/03/60/1025560360.db2.gz ZAHRXHACVZSYRT-UHFFFAOYSA-N -1 0 334.213 3.817 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000521719405 1025620956 /nfs/dbraw/zinc/62/09/56/1025620956.db2.gz HAMKTONBYGSOEE-UVJWIIJLSA-N -1 0 335.513 3.859 20 0 EHADRM Cc1cc(C(=O)N=c2[n-]nc(-c3cc4ccccc4o3)s2)oc1C ZINC000530349128 1025686400 /nfs/dbraw/zinc/68/64/00/1025686400.db2.gz AFRGXUNRENLVDZ-UHFFFAOYSA-N -1 0 339.376 3.835 20 0 EHADRM CCCC[C@H](NC(=O)[C@H](Oc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000347263134 1025763177 /nfs/dbraw/zinc/76/31/77/1025763177.db2.gz QAJCROPJMIAPOO-ZWKOTPCHSA-N -1 0 341.407 3.566 20 0 EHADRM CC(C)c1nc(/C=C\c2c[nH]c(C(F)(F)F)c2)ncc1C(=O)[O-] ZINC000436473239 1025767990 /nfs/dbraw/zinc/76/79/90/1025767990.db2.gz HDVJRVFMBCYGCG-ARJAWSKDSA-N -1 0 325.290 3.816 20 0 EHADRM CCCC[C@H](NC(=O)c1ccccc1OC1CCCCC1)C(=O)[O-] ZINC000347271975 1025778194 /nfs/dbraw/zinc/77/81/94/1025778194.db2.gz VYJMNLOADHUANL-INIZCTEOSA-N -1 0 333.428 3.771 20 0 EHADRM C[C@H](NC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-])[C@H]1CCOC1 ZINC000436483745 1025787131 /nfs/dbraw/zinc/78/71/31/1025787131.db2.gz CNSQCYQVQMBZAW-JSGCOSHPSA-N -1 0 345.826 3.867 20 0 EHADRM Cc1ccnc(-c2cccc(NC(=O)c3cc(F)c([O-])c(F)c3)c2)n1 ZINC000436520840 1025820475 /nfs/dbraw/zinc/82/04/75/1025820475.db2.gz ARFZVJBNIJQRNT-UHFFFAOYSA-N -1 0 341.317 3.688 20 0 EHADRM C[S@@](=O)c1cccc(NC(=O)c2c([O-])cc(Cl)cc2Cl)c1 ZINC000436555352 1025861383 /nfs/dbraw/zinc/86/13/83/1025861383.db2.gz MQLNLGJOJSYULR-OAQYLSRUSA-N -1 0 344.219 3.689 20 0 EHADRM COc1ccncc1NC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436538532 1025864599 /nfs/dbraw/zinc/86/45/99/1025864599.db2.gz JXMMXPOPZFQRKK-UHFFFAOYSA-N -1 0 328.755 3.855 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)C[C@H]1CCCC[C@@H]1C ZINC000522012540 1025872540 /nfs/dbraw/zinc/87/25/40/1025872540.db2.gz PGSORSYOHZCVFP-WCQYABFASA-N -1 0 328.416 3.641 20 0 EHADRM O=C(NCCCNc1ccccc1)c1c([O-])cc(Cl)cc1Cl ZINC000436558728 1025882697 /nfs/dbraw/zinc/88/26/97/1025882697.db2.gz YVODWPDALGMSDU-UHFFFAOYSA-N -1 0 339.222 3.931 20 0 EHADRM C[C@H]1OCCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])[C@H]1C ZINC000436594093 1025910416 /nfs/dbraw/zinc/91/04/16/1025910416.db2.gz DDEOAKZNBYJRPI-QWHCGFSZSA-N -1 0 345.826 3.962 20 0 EHADRM O=C(c1c([O-])cc(Cl)cc1Cl)N1CCC[C@]2(CCCOC2)C1 ZINC000436578792 1025919732 /nfs/dbraw/zinc/91/97/32/1025919732.db2.gz XUUMZTRIMOUHIR-INIZCTEOSA-N -1 0 344.238 3.732 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccc(OC(F)F)cc2)c1 ZINC000436652014 1025976711 /nfs/dbraw/zinc/97/67/11/1025976711.db2.gz ZAIMZLXOLRDOLU-UHFFFAOYSA-N -1 0 335.306 3.839 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)C[C@H]2CCc3ccccc3C2)c1 ZINC000262414498 1025977872 /nfs/dbraw/zinc/97/78/72/1025977872.db2.gz PXVKXHTYFZGSDM-INIZCTEOSA-N -1 0 337.419 3.838 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)COc2ccc(CC)cc2)c1 ZINC000436651753 1025978006 /nfs/dbraw/zinc/97/80/06/1025978006.db2.gz HQTZHFAPZQCGET-UHFFFAOYSA-N -1 0 327.380 3.565 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C[C@@H]2CCO[C@H](C(C)C)C2)c1 ZINC000436650288 1025978627 /nfs/dbraw/zinc/97/86/27/1025978627.db2.gz YSESMLVMTKJCRC-ACJLOTCBSA-N -1 0 333.428 3.765 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1ncc(-c2cccc(Cl)c2)o1)C1CCC1 ZINC000582371577 1025986390 /nfs/dbraw/zinc/98/63/90/1025986390.db2.gz DVHZKYJVXBKBQX-LLVKDONJSA-N -1 0 334.803 3.823 20 0 EHADRM CCn1nc([N-]S(=O)(=O)c2cc(C)c(Cl)s2)cc1C1CC1 ZINC000530542019 1025996843 /nfs/dbraw/zinc/99/68/43/1025996843.db2.gz SMMQMZSCBRVTLO-UHFFFAOYSA-N -1 0 345.877 3.605 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)n2cnc3ccccc32)c1 ZINC000436646774 1025997845 /nfs/dbraw/zinc/99/78/45/1025997845.db2.gz PCPZGUXJKBMLCA-GFCCVEGCSA-N -1 0 337.379 3.534 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccnc(O[C@@H](C)CC)c2)c1 ZINC000436648756 1025999363 /nfs/dbraw/zinc/99/93/63/1025999363.db2.gz UWEQDEVUNHPTQM-LBPRGKRZSA-N -1 0 342.395 3.810 20 0 EHADRM CSC1(c2noc(-c3ccc(Br)cc3[O-])n2)CC1 ZINC000896781175 1026005640 /nfs/dbraw/zinc/00/56/40/1026005640.db2.gz LPCZIRWOEFZKJK-UHFFFAOYSA-N -1 0 327.203 3.557 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)C2(C3CCCCC3)CC2)sc1C(=O)[O-] ZINC000909502875 1026018714 /nfs/dbraw/zinc/01/87/14/1026018714.db2.gz GXAWQBOPYDUBNR-LLVKDONJSA-N -1 0 336.457 3.687 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)Oc2cccc(F)c2)c1 ZINC000436658166 1026020998 /nfs/dbraw/zinc/02/09/98/1026020998.db2.gz NQFBVOQFYFSUDL-LLVKDONJSA-N -1 0 331.343 3.530 20 0 EHADRM CCN(C(=O)c1c([O-])cccc1F)c1ccc(Br)cc1 ZINC000436661361 1026023467 /nfs/dbraw/zinc/02/34/67/1026023467.db2.gz FOVXVLKZUFPNFX-UHFFFAOYSA-N -1 0 338.176 3.961 20 0 EHADRM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ncccc2C(C)C)cc1 ZINC000443418016 1026029782 /nfs/dbraw/zinc/02/97/82/1026029782.db2.gz MFGDOQFTNRKTAA-UHFFFAOYSA-N -1 0 346.452 3.845 20 0 EHADRM C[C@@H]1CC(CCNC(=O)c2cc3ccccc3cc2O)C[C@@H](C)O1 ZINC000436694885 1026052317 /nfs/dbraw/zinc/05/23/17/1026052317.db2.gz BXQLQXFQIDXGDS-ZIAGYGMSSA-N -1 0 327.424 3.869 20 0 EHADRM O=C(NCc1ccccc1-n1ccnc1)c1ccc2ccccc2c1O ZINC000436693340 1026053269 /nfs/dbraw/zinc/05/32/69/1026053269.db2.gz SXAUYCAKWKOYTP-UHFFFAOYSA-N -1 0 343.386 3.661 20 0 EHADRM C[C@@H]1C[C@@H](CCNC(=O)c2cc3ccccc3cc2O)C[C@H](C)O1 ZINC000436694884 1026053436 /nfs/dbraw/zinc/05/34/36/1026053436.db2.gz BXQLQXFQIDXGDS-QDMKHBRRSA-N -1 0 327.424 3.869 20 0 EHADRM CO[C@@H](C)CN(C)C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436706783 1026071319 /nfs/dbraw/zinc/07/13/19/1026071319.db2.gz DEBJVGTWQYKONL-LBPRGKRZSA-N -1 0 333.815 3.820 20 0 EHADRM O=C(Nc1ccc([C@H]2CCOC2)cc1)c1cc(F)c([O-])c(Cl)c1 ZINC000436707229 1026073747 /nfs/dbraw/zinc/07/37/47/1026073747.db2.gz XFOKYQNRPHFPNY-NSHDSACASA-N -1 0 335.762 3.941 20 0 EHADRM Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)c1 ZINC000614731611 1026079477 /nfs/dbraw/zinc/07/94/77/1026079477.db2.gz KOJHHCKPUJURGJ-UHFFFAOYSA-N -1 0 333.409 3.617 20 0 EHADRM CCc1cccc([N-]S(=O)(=O)c2sccc2Br)c1 ZINC000042350502 1026082888 /nfs/dbraw/zinc/08/28/88/1026082888.db2.gz WMVIBQCDVLOKRY-UHFFFAOYSA-N -1 0 346.271 3.874 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2sccc2Br)cc1C ZINC000042350438 1026082901 /nfs/dbraw/zinc/08/29/01/1026082901.db2.gz ZDAKRUFSTVKKLG-UHFFFAOYSA-N -1 0 346.271 3.928 20 0 EHADRM CCOC(=O)c1coc(=N[C@H](Cc2ccccc2)c2ccccc2)[n-]1 ZINC000544353566 1026098412 /nfs/dbraw/zinc/09/84/12/1026098412.db2.gz RVGPJMLWSWDPIH-QGZVFWFLSA-N -1 0 336.391 3.669 20 0 EHADRM C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000516192616 1026101538 /nfs/dbraw/zinc/10/15/38/1026101538.db2.gz GOSJOLAQJXCXHQ-APPZFPTMSA-N -1 0 341.251 3.824 20 0 EHADRM Cn1ncc(NC(=O)c2cc(F)cc(Cl)c2[O-])c1-c1ccccc1 ZINC000436737809 1026104589 /nfs/dbraw/zinc/10/45/89/1026104589.db2.gz RHYULFYLZWBVRJ-UHFFFAOYSA-N -1 0 345.761 3.838 20 0 EHADRM CCOc1cccc([C@@H]2C[C@H]2NC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000436737895 1026105051 /nfs/dbraw/zinc/10/50/51/1026105051.db2.gz KINGUKSOSNDZQX-GOEBONIOSA-N -1 0 331.799 3.730 20 0 EHADRM O=C(Nc1csc(-c2ccncc2)n1)c1ccc([O-])c(Cl)c1 ZINC000436727619 1026117744 /nfs/dbraw/zinc/11/77/44/1026117744.db2.gz AONVGGBQWNSYSW-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM C[C@@H]1COCCN1C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436760044 1026130252 /nfs/dbraw/zinc/13/02/52/1026130252.db2.gz KZGRNYLXICFMED-GFCCVEGCSA-N -1 0 331.799 3.574 20 0 EHADRM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)n[nH]1 ZINC000516209939 1026137660 /nfs/dbraw/zinc/13/76/60/1026137660.db2.gz UGGAYEKDQHBSKW-UHFFFAOYSA-N -1 0 343.399 3.737 20 0 EHADRM Cc1n[n-]c(=NC(=O)N2CC3(CCCCC3)[C@@H]2c2ccccc2)s1 ZINC000563345638 1026165076 /nfs/dbraw/zinc/16/50/76/1026165076.db2.gz HAQCXWSGOAYICD-HNNXBMFYSA-N -1 0 342.468 3.808 20 0 EHADRM CCSc1n[n-]c(=NC(=O)c2cc(C)c(Cl)cc2C)s1 ZINC000475100902 1026170492 /nfs/dbraw/zinc/17/04/92/1026170492.db2.gz ACNYWEBHWCQKPG-UHFFFAOYSA-N -1 0 327.862 3.595 20 0 EHADRM CC(C)c1cccc(NC(=O)N[C@@H](CCOC(C)(C)C)C(=O)[O-])c1 ZINC000582404728 1026170944 /nfs/dbraw/zinc/17/09/44/1026170944.db2.gz QHAQUPYLEXRBCB-HNNXBMFYSA-N -1 0 336.432 3.590 20 0 EHADRM C[C@H](C(=O)[O-])N(C)C(=O)c1ccc(SCc2ccccc2)cc1 ZINC000342538911 1026182922 /nfs/dbraw/zinc/18/29/22/1026182922.db2.gz CBBDBNBRFLTPBD-CYBMUJFWSA-N -1 0 329.421 3.524 20 0 EHADRM CCC(CC)(NC(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000342542972 1026199667 /nfs/dbraw/zinc/19/96/67/1026199667.db2.gz HTWWFWJOBDOTPU-QWHCGFSZSA-N -1 0 343.345 3.569 20 0 EHADRM Cc1ccc2cccc(S(=O)(=O)[N-]c3cc(F)ccc3C)c2n1 ZINC000530769954 1026281164 /nfs/dbraw/zinc/28/11/64/1026281164.db2.gz GGIXWSJRVWTHDU-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM CCC(C)(C)c1ccc(C(=O)N=c2nc([C@@H](C)OC)[n-]s2)cc1 ZINC000511132731 1026363866 /nfs/dbraw/zinc/36/38/66/1026363866.db2.gz UAMIOBWNXMTJOP-LLVKDONJSA-N -1 0 333.457 3.607 20 0 EHADRM Cc1cc(NC(=O)[C@H](C)Oc2cccc(F)c2)cc(C(=O)[O-])c1C ZINC000324885281 1026422932 /nfs/dbraw/zinc/42/29/32/1026422932.db2.gz LHLFCSRAOGLRMU-LBPRGKRZSA-N -1 0 331.343 3.547 20 0 EHADRM CCC(C)(C)N(C)C(=O)N1CCC(C(=O)[O-])(c2ccc(C)cc2)CC1 ZINC000684896144 1026452244 /nfs/dbraw/zinc/45/22/44/1026452244.db2.gz OLVSTSVQEJICFO-UHFFFAOYSA-N -1 0 346.471 3.654 20 0 EHADRM CC(C)c1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])s1 ZINC000192858860 1026495906 /nfs/dbraw/zinc/49/59/06/1026495906.db2.gz ZYYIQGJSLOJRMX-CQSZACIVSA-N -1 0 329.421 3.523 20 0 EHADRM C[C@@H](CC(=O)NCCCCCCCC(=O)[O-])c1ccc(F)cc1F ZINC000277680871 1026535794 /nfs/dbraw/zinc/53/57/94/1026535794.db2.gz OSORWVKZUDCMCZ-ZDUSSCGKSA-N -1 0 341.398 4.000 20 0 EHADRM COC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000325073474 1026542777 /nfs/dbraw/zinc/54/27/77/1026542777.db2.gz XYZOTHURJNUGNX-UHFFFAOYSA-N -1 0 347.436 3.706 20 0 EHADRM CN(CCCCc1ccccc1)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000262479384 1026554319 /nfs/dbraw/zinc/55/43/19/1026554319.db2.gz XTTWNGZLZZATPE-UHFFFAOYSA-N -1 0 329.371 3.619 20 0 EHADRM Cc1cccnc1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000582551352 1026554739 /nfs/dbraw/zinc/55/47/39/1026554739.db2.gz DSYUSTFJQHVMDM-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@H](Cc2ccccc2)c2cccs2)CCC1 ZINC000262488962 1026604768 /nfs/dbraw/zinc/60/47/68/1026604768.db2.gz IXDOJEYLEOBNKZ-OAHLLOKOSA-N -1 0 343.448 3.793 20 0 EHADRM Clc1cc(Cl)cc(-c2noc(=NCCc3nccs3)[n-]2)c1 ZINC000531147018 1026630124 /nfs/dbraw/zinc/63/01/24/1026630124.db2.gz CKLRGFHPJHBODF-UHFFFAOYSA-N -1 0 341.223 3.576 20 0 EHADRM CCC[C@](C)(NC(=O)Cc1cc2c(ccc3ccccc23)o1)C(=O)[O-] ZINC000431456625 1026644324 /nfs/dbraw/zinc/64/43/24/1026644324.db2.gz GFQHSLRLNLPUQL-FQEVSTJZSA-N -1 0 339.391 3.888 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCC[C@H]3C(C)C)n2)c1 ZINC000531226192 1026705708 /nfs/dbraw/zinc/70/57/08/1026705708.db2.gz UELKFUGMZTUYJN-KRWDZBQOSA-N -1 0 341.455 3.962 20 0 EHADRM CCc1cc(CN=c2[n-]c(-c3cc(Cl)cc(Cl)c3)no2)on1 ZINC000531385197 1026872403 /nfs/dbraw/zinc/87/24/03/1026872403.db2.gz QJXJCTLATIFGLQ-UHFFFAOYSA-N -1 0 339.182 3.628 20 0 EHADRM CCC1CCN(C(=O)c2nn(-c3cccc(C(C)C)c3)cc2[O-])CC1 ZINC000531460789 1026938891 /nfs/dbraw/zinc/93/88/91/1026938891.db2.gz IHYUTNJCSJDSJS-UHFFFAOYSA-N -1 0 341.455 3.964 20 0 EHADRM Cc1ccc2cccc(S(=O)(=O)[N-]c3cccc(C)c3C)c2n1 ZINC000531486793 1026981021 /nfs/dbraw/zinc/98/10/21/1026981021.db2.gz USKZZAFDDSHJFI-UHFFFAOYSA-N -1 0 326.421 3.961 20 0 EHADRM CCO[C@@H](CC(=O)Nc1c(O)ccc(Br)c1C)C(C)C ZINC000452761533 1026989273 /nfs/dbraw/zinc/98/92/73/1026989273.db2.gz XFZUTIGDRZQGHS-ZDUSSCGKSA-N -1 0 344.249 3.853 20 0 EHADRM COC(=O)[C@H](C)Cc1ccc(NC(=O)c2cccc(Cl)c2[O-])cc1 ZINC000760144933 1026995843 /nfs/dbraw/zinc/99/58/43/1026995843.db2.gz XRJXJIHFMWUWAS-LLVKDONJSA-N -1 0 347.798 3.650 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccc(-c3nccs3)cc2)[C@H](C(=O)[O-])C1 ZINC000582703744 1026998273 /nfs/dbraw/zinc/99/82/73/1026998273.db2.gz LFGGXNMYGQWUJV-FZMZJTMJSA-N -1 0 345.424 3.527 20 0 EHADRM CO[C@@H]1CCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C[C@@H]1C ZINC000452865568 1027058080 /nfs/dbraw/zinc/05/80/80/1027058080.db2.gz GNDCDERVKAVKKG-MEDUHNTESA-N -1 0 333.815 3.696 20 0 EHADRM O=c1nc(CN2CCC[C@H]2c2ccc(Cl)cc2)[n-]c2ccsc21 ZINC000044895716 1027243805 /nfs/dbraw/zinc/24/38/05/1027243805.db2.gz PBVWZAWKYRMLFC-AWEZNQCLSA-N -1 0 345.855 3.975 20 0 EHADRM CC(C)c1n[n-]c(=NCc2cnc(-c3ccccc3F)s2)s1 ZINC000453043839 1027255257 /nfs/dbraw/zinc/25/52/57/1027255257.db2.gz DOBHLBHXFTWLAE-UHFFFAOYSA-N -1 0 334.445 3.958 20 0 EHADRM C[C@H](Cc1n[n-]c(=NCc2cc3cccnc3o2)o1)CC(C)(C)C ZINC000453048958 1027263126 /nfs/dbraw/zinc/26/31/26/1027263126.db2.gz XGPOANBBYOLDTG-GFCCVEGCSA-N -1 0 328.416 3.860 20 0 EHADRM COc1ccc(Cl)cc1NCC(=O)Nc1cccc(Cl)c1[O-] ZINC000077011860 1027375426 /nfs/dbraw/zinc/37/54/26/1027375426.db2.gz RUVPGHRIKVLDKO-UHFFFAOYSA-N -1 0 341.194 3.758 20 0 EHADRM CCCCc1nnc([N-]S(=O)(=O)c2c(C)cccc2Cl)s1 ZINC000414444756 1027391682 /nfs/dbraw/zinc/39/16/82/1027391682.db2.gz QOWMWVREWBLSPB-UHFFFAOYSA-N -1 0 345.877 3.643 20 0 EHADRM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)N=c2cc(C)c(C)n[n-]2)cc1 ZINC000531813656 1027414126 /nfs/dbraw/zinc/41/41/26/1027414126.db2.gz HTGJVCOXKSDGJQ-LIRRHRJNSA-N -1 0 338.455 3.829 20 0 EHADRM COCC(C)(C)CCCNC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1 ZINC000487490070 1027599709 /nfs/dbraw/zinc/59/97/09/1027599709.db2.gz ZDKGYOKZYXJRPL-IBGZPJMESA-N -1 0 341.492 3.617 20 0 EHADRM C[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)NCc1ccc(Cl)cc1 ZINC000582762376 1027610539 /nfs/dbraw/zinc/61/05/39/1027610539.db2.gz LQKJQFUZZYRSFS-ZDUSSCGKSA-N -1 0 346.814 3.697 20 0 EHADRM Cc1ccc(-n2cc(NC(=O)c3cccc(F)c3[O-])cn2)c(C)c1 ZINC001269362130 1027805949 /nfs/dbraw/zinc/80/59/49/1027805949.db2.gz BFUVWNWWAJODIO-UHFFFAOYSA-N -1 0 325.343 3.586 20 0 EHADRM C[C@H](CSc1n[n-]c(=NCCc2ccccc2)s1)C(F)(F)F ZINC000532672967 1027821929 /nfs/dbraw/zinc/82/19/29/1027821929.db2.gz YNDAYVGWJPHZPH-SNVBAGLBSA-N -1 0 347.431 3.905 20 0 EHADRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C1CCC(C2CC2)CC1 ZINC000665862967 1027856694 /nfs/dbraw/zinc/85/66/94/1027856694.db2.gz RGUSEUMPHWHMTB-UHFFFAOYSA-N -1 0 345.468 3.572 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)CCc2ccc(F)cc2)s[n-]1 ZINC000472267308 1027871848 /nfs/dbraw/zinc/87/18/48/1027871848.db2.gz DYRMJZHLXYMESI-UHFFFAOYSA-N -1 0 347.440 3.707 20 0 EHADRM Cc1cc2cc[nH]c2cc1NC(=O)c1[n-]cnc1C(=O)c1ccccc1 ZINC000444456230 1027926989 /nfs/dbraw/zinc/92/69/89/1027926989.db2.gz WKGZSJVMFPTVII-UHFFFAOYSA-N -1 0 344.374 3.683 20 0 EHADRM CCc1ccc(C(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)cc1 ZINC000237092971 1028054225 /nfs/dbraw/zinc/05/42/25/1028054225.db2.gz HPZXXQUOXQWVDY-UHFFFAOYSA-N -1 0 348.402 3.627 20 0 EHADRM Nc1ccc(Br)nc1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211960985 1028193873 /nfs/dbraw/zinc/19/38/73/1028193873.db2.gz QQJMGXBDJXMZMZ-UHFFFAOYSA-N -1 0 342.580 3.522 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccc3c4c(cccc42)CC3)C[C@H]1C(=O)[O-] ZINC000582905299 1028220175 /nfs/dbraw/zinc/22/01/75/1028220175.db2.gz KSCLWFSOSLGSBS-BLLLJJGKSA-N -1 0 338.407 3.513 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc3c4c(cccc42)CC3)C[C@@H]1C(=O)[O-] ZINC000582905302 1028221390 /nfs/dbraw/zinc/22/13/90/1028221390.db2.gz KSCLWFSOSLGSBS-WBMJQRKESA-N -1 0 338.407 3.513 20 0 EHADRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000614852830 1028226606 /nfs/dbraw/zinc/22/66/06/1028226606.db2.gz RSRLMJQVJAAMEO-UHFFFAOYSA-N -1 0 325.817 3.848 20 0 EHADRM CC1(C)Oc2cc(Nc3cc(Cl)cc(C(=O)[O-])c3)ccc2NC1=O ZINC001211964996 1028269146 /nfs/dbraw/zinc/26/91/46/1028269146.db2.gz IVUQBKNYBSTKFJ-UHFFFAOYSA-N -1 0 346.770 3.891 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2ccccc2CN2CCOCC2)c1 ZINC001211964984 1028269679 /nfs/dbraw/zinc/26/96/79/1028269679.db2.gz IKQBGPWSOSMDKE-UHFFFAOYSA-N -1 0 346.814 3.614 20 0 EHADRM COC(=O)c1ccc(Nc2cc(Cl)cc(C(=O)[O-])c2)cc1OC ZINC001211965314 1028272713 /nfs/dbraw/zinc/27/27/13/1028272713.db2.gz YRVVAWNDWKFZHC-UHFFFAOYSA-N -1 0 335.743 3.577 20 0 EHADRM CCN1Cc2cc(Nc3cc(Cl)cc(C(=O)[O-])c3)ccc2C1=O ZINC001211966614 1028299412 /nfs/dbraw/zinc/29/94/12/1028299412.db2.gz IDQJVOCEPDKWJI-UHFFFAOYSA-N -1 0 330.771 3.758 20 0 EHADRM COCCc1nc(=Nc2ccc(OC3CCCCC3)cc2)s[n-]1 ZINC000444825715 1028300686 /nfs/dbraw/zinc/30/06/86/1028300686.db2.gz KDJYLPQUDFLIEY-UHFFFAOYSA-N -1 0 333.457 3.604 20 0 EHADRM Cc1cc(=NC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)[n-]nc1C ZINC000444886686 1028376752 /nfs/dbraw/zinc/37/67/52/1028376752.db2.gz FKTQLFAHYFBCGN-JTQLQIEISA-N -1 0 339.226 3.705 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2ccc(-c3cc(CO)on3)cc2)c1 ZINC001211969488 1028435666 /nfs/dbraw/zinc/43/56/66/1028435666.db2.gz MFMXRMUJLHEKPA-UHFFFAOYSA-N -1 0 344.754 3.929 20 0 EHADRM COC(=O)[C@H]1Cc2cccc(Nc3cc(Cl)cc(C(=O)[O-])c3)c2C1 ZINC001211969718 1028438802 /nfs/dbraw/zinc/43/88/02/1028438802.db2.gz WSKLIVKZBHQOQH-LBPRGKRZSA-N -1 0 345.782 3.670 20 0 EHADRM O=C(N=c1nc(-c2ccccc2)[n-]s1)c1ccc(-c2ccccc2)[nH]1 ZINC000523580256 1028449501 /nfs/dbraw/zinc/44/95/01/1028449501.db2.gz KGVVDMHITMVMTP-UHFFFAOYSA-N -1 0 346.415 3.874 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2nc(C)cs2)cc1C(C)C ZINC000193713942 1028457119 /nfs/dbraw/zinc/45/71/19/1028457119.db2.gz JZZAIPRFVBFOPF-UHFFFAOYSA-N -1 0 340.470 3.693 20 0 EHADRM CC(C)(CC(=O)NCc1ccccc1Sc1ccccc1)C(=O)[O-] ZINC000262211272 1028462788 /nfs/dbraw/zinc/46/27/88/1028462788.db2.gz IYWQLZJQXGKKCO-UHFFFAOYSA-N -1 0 343.448 3.955 20 0 EHADRM CN(C(=O)N[C@H]1CCCc2sccc21)[C@@H](C(=O)[O-])c1ccccc1 ZINC000583002672 1028500845 /nfs/dbraw/zinc/50/08/45/1028500845.db2.gz VFJFIEWFWSMSFT-GOEBONIOSA-N -1 0 344.436 3.593 20 0 EHADRM CCSc1n[n-]c(=NC(=O)Nc2ccccc2OC(C)C)s1 ZINC000502661983 1028522437 /nfs/dbraw/zinc/52/24/37/1028522437.db2.gz SQOXWYLNCVNANC-UHFFFAOYSA-N -1 0 338.458 3.503 20 0 EHADRM CC(C)c1ccc(SCC2=Nc3ccccc3S(=O)(=O)[N-]2)cc1 ZINC000508519798 1028566881 /nfs/dbraw/zinc/56/68/81/1028566881.db2.gz DXAXXNMCTKRFRR-UHFFFAOYSA-N -1 0 346.477 3.924 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC000237028555 1028617767 /nfs/dbraw/zinc/61/77/67/1028617767.db2.gz BIMAHXBEIRUPAI-BMIGLBTASA-N -1 0 335.787 3.829 20 0 EHADRM Cc1cc(-c2nc(C(=O)[O-])c(Cl)s2)ccc1O[C@@H]1CCOC1 ZINC000583035801 1028619729 /nfs/dbraw/zinc/61/97/29/1028619729.db2.gz SKUUWSGQRICAEY-SNVBAGLBSA-N -1 0 339.800 3.638 20 0 EHADRM C[C@H](C(=O)N(CC(=O)[O-])Cc1ccccc1)c1cc2ccccc2o1 ZINC000237401153 1028649828 /nfs/dbraw/zinc/64/98/28/1028649828.db2.gz ZQDCBOZRKXZPJT-AWEZNQCLSA-N -1 0 337.375 3.650 20 0 EHADRM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1ccccc1)c1cc2ccccc2o1 ZINC000237483588 1028653077 /nfs/dbraw/zinc/65/30/77/1028653077.db2.gz QWUZENXHHRLIAK-CZUORRHYSA-N -1 0 337.375 3.869 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2cccc(C(=O)[O-])c2)C2CC2)o1 ZINC000237464189 1028653663 /nfs/dbraw/zinc/65/36/63/1028653663.db2.gz ZVJNPUJFLHEUOY-SJKOYZFVSA-N -1 0 339.391 3.906 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(OCC(F)(F)F)c2)s1 ZINC000238059319 1028676417 /nfs/dbraw/zinc/67/64/17/1028676417.db2.gz MXIDHOSEZDBYNV-UHFFFAOYSA-N -1 0 345.298 3.640 20 0 EHADRM CC(C)(C)Oc1cccc(CN=c2nc(-c3ccccc3)[n-]s2)n1 ZINC000502784709 1028695754 /nfs/dbraw/zinc/69/57/54/1028695754.db2.gz IBWGNYRPMMDEDA-UHFFFAOYSA-N -1 0 340.452 3.811 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)N([C@H](C)C(=O)[O-])C2CCC2)cc1 ZINC000583062488 1028700425 /nfs/dbraw/zinc/70/04/25/1028700425.db2.gz IVHOWFOHPYURGL-CQSZACIVSA-N -1 0 348.443 3.971 20 0 EHADRM Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000459384610 1028735297 /nfs/dbraw/zinc/73/52/97/1028735297.db2.gz GIEMOBUUDVKNOD-KRWDZBQOSA-N -1 0 349.438 3.526 20 0 EHADRM Cc1cc(Cl)c2ccccc2c1NC(=O)[C@@H](C)O[C@@H](C)C(=O)[O-] ZINC000421809326 1028794440 /nfs/dbraw/zinc/79/44/40/1028794440.db2.gz UZUDZBNNHAAVBM-MNOVXSKESA-N -1 0 335.787 3.618 20 0 EHADRM Cc1c(Cl)c(CN[C@@H](CC(=O)[O-])c2ccc(C(C)C)cc2)nn1C ZINC000421812161 1028800030 /nfs/dbraw/zinc/80/00/30/1028800030.db2.gz BJVDILZXGAEVMJ-HNNXBMFYSA-N -1 0 349.862 3.811 20 0 EHADRM CC(C)C[C@@](C)(CC(=O)[O-])C(=O)NC[C@@H]1CSc2ccccc21 ZINC000634839463 1028833210 /nfs/dbraw/zinc/83/32/10/1028833210.db2.gz KLEPSOMQHWJVTM-ACJLOTCBSA-N -1 0 335.469 3.519 20 0 EHADRM Cc1c(-c2nc(-c3ccc([O-])c(F)c3)no2)oc2c1C(=O)CCC2 ZINC000445476824 1028855688 /nfs/dbraw/zinc/85/56/88/1028855688.db2.gz IQUVQUIKMBRUNW-UHFFFAOYSA-N -1 0 328.299 3.669 20 0 EHADRM O=C([O-])c1cc(/C=C/c2ccccc2OCc2ccccc2)ncn1 ZINC000532803245 1028860437 /nfs/dbraw/zinc/86/04/37/1028860437.db2.gz GTHSWYUINPYSAY-ZHACJKMWSA-N -1 0 332.359 3.924 20 0 EHADRM C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000248417931 1028898500 /nfs/dbraw/zinc/89/85/00/1028898500.db2.gz RSRWNBHNPWGICU-FMTVUPSXSA-N -1 0 347.361 3.661 20 0 EHADRM Cc1ccc(F)cc1CSc1n[n-]c(=NCC(F)(F)F)s1 ZINC000445557353 1028921070 /nfs/dbraw/zinc/92/10/70/1028921070.db2.gz LDKFFOLSBWLEKC-UHFFFAOYSA-N -1 0 337.367 3.674 20 0 EHADRM Cc1ccc(Nc2nc(CN3CCC[C@H](C)[C@@H]3C(=O)[O-])cs2)cc1 ZINC000424265765 1028923933 /nfs/dbraw/zinc/92/39/33/1028923933.db2.gz IIOFMKWNKZSGOK-XJKSGUPXSA-N -1 0 345.468 3.880 20 0 EHADRM CC[C@@H](CC(=O)N=c1nc(C(C)(C)C)[n-]s1)c1ccc(OC)cc1 ZINC000502978876 1028939311 /nfs/dbraw/zinc/93/93/11/1028939311.db2.gz BZTDUBMFULTOAK-LBPRGKRZSA-N -1 0 347.484 3.789 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)c2ccc(OC3CCCCC3)cc2)C1 ZINC000532868933 1028978063 /nfs/dbraw/zinc/97/80/63/1028978063.db2.gz VHVZJZKGRVQKIF-OAHLLOKOSA-N -1 0 345.439 3.725 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N[C@@H]2CCc3ccccc3C2)s1 ZINC000503030846 1028988024 /nfs/dbraw/zinc/98/80/24/1028988024.db2.gz KIZYVMYZDXQVGG-OAHLLOKOSA-N -1 0 344.484 3.543 20 0 EHADRM CCC(CC)(CNC(=O)N[C@@H]1CCc2sc(Cl)cc21)C(=O)[O-] ZINC000424400789 1029051255 /nfs/dbraw/zinc/05/12/55/1029051255.db2.gz VPFZMQHAHXKMNX-SNVBAGLBSA-N -1 0 344.864 3.579 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCC[C@@H](CCO)CC1 ZINC000422069437 1029055961 /nfs/dbraw/zinc/05/59/61/1029055961.db2.gz IARMPHKPFYSQMA-CYBMUJFWSA-N -1 0 347.842 3.824 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N1CC[C@H]1c1ccc(Cl)cc1)C(=O)[O-] ZINC000424426659 1029069011 /nfs/dbraw/zinc/06/90/11/1029069011.db2.gz TYVJIINOIQCMBD-ZFWWWQNUSA-N -1 0 338.835 3.543 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)NCC2(c3ccccc3)CC2)s1 ZINC000503116330 1029075732 /nfs/dbraw/zinc/07/57/32/1029075732.db2.gz AQDPZAJJNSLUIM-UHFFFAOYSA-N -1 0 344.484 3.546 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N[C@H]2CCc3ccccc32)s1 ZINC000503128372 1029082658 /nfs/dbraw/zinc/08/26/58/1029082658.db2.gz DFDGLWHKIWHPSR-AWEZNQCLSA-N -1 0 330.457 3.502 20 0 EHADRM O=C(CSCc1coc(-c2ccccc2)n1)[N-]OC1CCCC1 ZINC000271772912 1029165523 /nfs/dbraw/zinc/16/55/23/1029165523.db2.gz NXZIREBCVCBJRS-UHFFFAOYSA-N -1 0 332.425 3.565 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)n[nH]c1C(C)C ZINC000647279105 1029175959 /nfs/dbraw/zinc/17/59/59/1029175959.db2.gz NHNLBTIUOOIIMY-UHFFFAOYSA-N -1 0 347.362 3.661 20 0 EHADRM Cc1sccc1C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC000909629403 1029181040 /nfs/dbraw/zinc/18/10/40/1029181040.db2.gz XBMSDFXBHIYYFC-LSDHHAIUSA-N -1 0 349.839 3.650 20 0 EHADRM Cc1ccccc1C(C)(C)CNC(=O)c1cc(F)c(F)cc1C(=O)[O-] ZINC000634873795 1029236139 /nfs/dbraw/zinc/23/61/39/1029236139.db2.gz XHUOCOWMNDDJDG-UHFFFAOYSA-N -1 0 347.361 3.679 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N[C@@H](c2ccccc2)C2CCC2)CC1 ZINC000583206197 1029236855 /nfs/dbraw/zinc/23/68/55/1029236855.db2.gz LDEHNSITWAZKMD-YVNUBYTISA-N -1 0 329.440 3.925 20 0 EHADRM Clc1cc(Nc2nnc(Br)s2)cc(Cl)n1 ZINC001212087676 1029403714 /nfs/dbraw/zinc/40/37/14/1029403714.db2.gz MPKABEPEGHHHJU-UHFFFAOYSA-N -1 0 326.006 3.746 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cnccc2SC)cc1CC ZINC000677419274 1029430241 /nfs/dbraw/zinc/43/02/41/1029430241.db2.gz VXNJTINSRPZZGF-UHFFFAOYSA-N -1 0 336.482 3.729 20 0 EHADRM CCc1oc(C(=O)N2CC[C@H](C)[C@H]2c2cccc(F)c2)cc1C(=O)[O-] ZINC000261654558 1029469289 /nfs/dbraw/zinc/46/92/89/1029469289.db2.gz NCSNNGWTXCPKCV-GTNSWQLSSA-N -1 0 345.370 3.903 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cnc(C)nc2C2CC2)cc1 ZINC000533218597 1029481308 /nfs/dbraw/zinc/48/13/08/1029481308.db2.gz ZOOMQXDUYPJQDA-LBPRGKRZSA-N -1 0 345.468 3.977 20 0 EHADRM O=C(c1s[n-]c(=O)c1Cl)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000548791196 1029501926 /nfs/dbraw/zinc/50/19/26/1029501926.db2.gz PCNWLYMRDIRUHM-VIFPVBQESA-N -1 0 343.235 3.785 20 0 EHADRM O=C(CCCC1CCCCC1)N=c1nc(-c2cccnc2)[n-]s1 ZINC000533723594 1029514073 /nfs/dbraw/zinc/51/40/73/1029514073.db2.gz NEELLUNODOPPPG-UHFFFAOYSA-N -1 0 330.457 3.711 20 0 EHADRM Fc1ccccc1N=c1[n-]nc(SCCCc2ccncc2)s1 ZINC000545129545 1029594439 /nfs/dbraw/zinc/59/44/39/1029594439.db2.gz PGFJRIAMJIAHNT-UHFFFAOYSA-N -1 0 346.456 3.963 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)Nc1cccc(F)c1 ZINC000583300129 1029600990 /nfs/dbraw/zinc/60/09/90/1029600990.db2.gz IPYPQKXPFHNMRK-CJNGLKHVSA-N -1 0 334.391 3.713 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)N[C@@H]1CCc2ccc(F)cc21 ZINC000533307898 1029610527 /nfs/dbraw/zinc/61/05/27/1029610527.db2.gz ZIKNLGWFHDYWOC-GOSISDBHSA-N -1 0 348.381 3.514 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000262882344 1029647505 /nfs/dbraw/zinc/64/75/05/1029647505.db2.gz GVYGPSXAJSVNAO-ZBINZKHDSA-N -1 0 347.411 3.674 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000262986301 1029654186 /nfs/dbraw/zinc/65/41/86/1029654186.db2.gz CTEHQKMFBVKTOW-UHFFFAOYSA-N -1 0 337.178 3.897 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1ccc2ccc(Cl)cc2n1 ZINC000262992110 1029654284 /nfs/dbraw/zinc/65/42/84/1029654284.db2.gz SQVNSCRZPZBUFJ-AWEZNQCLSA-N -1 0 346.814 3.748 20 0 EHADRM C[C@@H](C(=O)N1CCCC[C@H]1CCC(=O)[O-])c1ccc(Cl)s1 ZINC000262992183 1029654424 /nfs/dbraw/zinc/65/44/24/1029654424.db2.gz SRJXZQAMCUGEGD-MNOVXSKESA-N -1 0 329.849 3.751 20 0 EHADRM Cc1cc(C)c(C(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)o1 ZINC000263004252 1029655663 /nfs/dbraw/zinc/65/56/63/1029655663.db2.gz MPHDJHXKZGUGMY-UHFFFAOYSA-N -1 0 341.407 3.690 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cccc(Nc3ccccc3)c2)C1 ZINC000263150037 1029669731 /nfs/dbraw/zinc/66/97/31/1029669731.db2.gz FHFHONPQRVLUJK-HOCLYGCPSA-N -1 0 338.407 3.613 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)CCCc1ccc2c(c1)-c1ccccc1C2 ZINC000263149257 1029670513 /nfs/dbraw/zinc/67/05/13/1029670513.db2.gz WTYKVYHSWYOTRU-CQSZACIVSA-N -1 0 337.419 3.560 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N([C@H](C)C(=O)[O-])C1CC1 ZINC000263301580 1029685823 /nfs/dbraw/zinc/68/58/23/1029685823.db2.gz ZQYPBRQXUCATBI-GFCCVEGCSA-N -1 0 337.375 3.972 20 0 EHADRM CCCCOc1ccc(NC(=O)c2ccc(C(=O)[O-])c(C)n2)c(C)c1 ZINC000263306045 1029686307 /nfs/dbraw/zinc/68/63/07/1029686307.db2.gz FGKBCRSTFXUWOB-UHFFFAOYSA-N -1 0 342.395 3.828 20 0 EHADRM CC[C@H](C)Oc1ccc(NC(=O)c2ccc(C(=O)[O-])c(C)n2)cc1 ZINC000263335137 1029689237 /nfs/dbraw/zinc/68/92/37/1029689237.db2.gz NFWGXILMQMHQFV-NSHDSACASA-N -1 0 328.368 3.518 20 0 EHADRM C[C@H](NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1cc2ccccc2s1 ZINC000263365794 1029691438 /nfs/dbraw/zinc/69/14/38/1029691438.db2.gz TVGOAMQKGIAKMI-DYEKYZERSA-N -1 0 346.452 3.715 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000263370808 1029692039 /nfs/dbraw/zinc/69/20/39/1029692039.db2.gz VHJVRMWUHMTNMZ-IUCAKERBSA-N -1 0 349.736 3.542 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000263404614 1029694406 /nfs/dbraw/zinc/69/44/06/1029694406.db2.gz SSPCLXLCFFSETF-GOSISDBHSA-N -1 0 338.407 3.740 20 0 EHADRM CCOc1ccccc1-c1cccc(C(=O)N[C@H](C)[C@@H](C)C(=O)[O-])c1 ZINC000263403694 1029694692 /nfs/dbraw/zinc/69/46/92/1029694692.db2.gz FQQIZNYYFGWJKJ-ZIAGYGMSSA-N -1 0 341.407 3.591 20 0 EHADRM C[C@@H](NC(=O)c1cc(Cl)ccc1OC1CCCC1)[C@H](C)C(=O)[O-] ZINC000263430680 1029696571 /nfs/dbraw/zinc/69/65/71/1029696571.db2.gz KOBMRVUUDFMNGN-WDEREUQCSA-N -1 0 339.819 3.500 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-] ZINC000263451425 1029699461 /nfs/dbraw/zinc/69/94/61/1029699461.db2.gz OHHIQPDMAKBKHF-LXZKKBNFSA-N -1 0 335.419 3.544 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(C(=O)N[C@H](C)[C@@H](C)C(=O)[O-])cc1F ZINC000263459140 1029700957 /nfs/dbraw/zinc/70/09/57/1029700957.db2.gz POSSELJVBGUHKB-VXGBXAGGSA-N -1 0 347.361 3.779 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000263502289 1029706258 /nfs/dbraw/zinc/70/62/58/1029706258.db2.gz UDFXDIMWNJCQTO-ORAYPTAESA-N -1 0 330.428 3.703 20 0 EHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)[C@@H](C)Cc1ccccc1Cl ZINC000263522021 1029707086 /nfs/dbraw/zinc/70/70/86/1029707086.db2.gz HQVPIOGCIOBLRR-YVEFUNNKSA-N -1 0 325.836 3.524 20 0 EHADRM O=C([O-])[C@@]12CCC[C@H]1CN(c1nnc(-c3ccccc3Cl)s1)C2 ZINC000263567111 1029726034 /nfs/dbraw/zinc/72/60/34/1029726034.db2.gz XCYUEJPTBJKYNK-MGPLVRAMSA-N -1 0 349.843 3.550 20 0 EHADRM CC(=O)c1cccc(NC(=O)Cc2ccc(OCC(C)C)cc2)c1O ZINC000583372985 1029730206 /nfs/dbraw/zinc/73/02/06/1029730206.db2.gz RBOFUVDDNKFYMR-UHFFFAOYSA-N -1 0 341.407 3.811 20 0 EHADRM O=C(CSCc1cccc(Cl)c1)[N-]OCCC(F)(F)F ZINC000162969381 1029748398 /nfs/dbraw/zinc/74/83/98/1029748398.db2.gz VLPBXJOCRIMSOM-UHFFFAOYSA-N -1 0 327.755 3.573 20 0 EHADRM COCc1cc(-c2ccccc2O[C@@H](C(=O)[O-])C(C)C)ccc1OC ZINC000583393000 1029757532 /nfs/dbraw/zinc/75/75/32/1029757532.db2.gz WDVRBNDHIVYFED-LJQANCHMSA-N -1 0 344.407 3.997 20 0 EHADRM CCCn1nccc1[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000446716886 1029768579 /nfs/dbraw/zinc/76/85/79/1029768579.db2.gz NGCGJEPZAADWPW-UHFFFAOYSA-N -1 0 349.843 3.901 20 0 EHADRM Cc1n[n-]c(=NC(=O)N(C2CC2)C2CC(c3ccccc3C)C2)s1 ZINC000525266400 1029774892 /nfs/dbraw/zinc/77/48/92/1029774892.db2.gz VFNTXCHVTIGRQB-UHFFFAOYSA-N -1 0 342.468 3.519 20 0 EHADRM Clc1cc2[nH]cc(CCN=c3[n-]nc(C4CC4)o3)c2c(Cl)c1 ZINC000343214007 1029775300 /nfs/dbraw/zinc/77/53/00/1029775300.db2.gz HCPNQWIFURFLDA-UHFFFAOYSA-N -1 0 337.210 3.812 20 0 EHADRM CCCc1cnc([N-]S(=O)(=O)c2c(C)cc(C)cc2OC)s1 ZINC000446760680 1029792929 /nfs/dbraw/zinc/79/29/29/1029792929.db2.gz KRAVJESNIWFXPA-UHFFFAOYSA-N -1 0 340.470 3.522 20 0 EHADRM Cc1nc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)oc1C ZINC000446790256 1029795236 /nfs/dbraw/zinc/79/52/36/1029795236.db2.gz NYYLECAENPDFQU-UHFFFAOYSA-N -1 0 335.212 3.540 20 0 EHADRM O=C([O-])CN(C(=O)Nc1ccc(CC(F)(F)F)cc1)C1CCCC1 ZINC000583419269 1029800489 /nfs/dbraw/zinc/80/04/89/1029800489.db2.gz ROTAMVALIBYJAQ-UHFFFAOYSA-N -1 0 344.333 3.653 20 0 EHADRM O=S(=O)([N-]c1nccs1)c1csc2ccc(Cl)cc21 ZINC000080311691 1029800827 /nfs/dbraw/zinc/80/08/27/1029800827.db2.gz VGKOFLKYISWMHS-UHFFFAOYSA-N -1 0 330.843 3.812 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1OCC1CC1 ZINC000525368907 1029815232 /nfs/dbraw/zinc/81/52/32/1029815232.db2.gz RJGBUGCUISLPJH-UHFFFAOYSA-N -1 0 335.400 3.724 20 0 EHADRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000193272331 1029825210 /nfs/dbraw/zinc/82/52/10/1029825210.db2.gz ZERNAHJMLAJDBP-UHFFFAOYSA-N -1 0 349.886 3.933 20 0 EHADRM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cn(CC(C)C)cn2)c1C ZINC000446966056 1029867781 /nfs/dbraw/zinc/86/77/81/1029867781.db2.gz MLPSMCIMQAHZAG-UHFFFAOYSA-N -1 0 341.864 3.610 20 0 EHADRM [O-]c1c(Br)cccc1-c1nc(C2CCSCC2)no1 ZINC000583479377 1029884585 /nfs/dbraw/zinc/88/45/85/1029884585.db2.gz OAUGFYCIPFGLFV-UHFFFAOYSA-N -1 0 341.230 3.815 20 0 EHADRM CCC[C@@H](NC(=O)c1sc(C2CC2)nc1-c1ccccc1)C(=O)[O-] ZINC000455764780 1029904825 /nfs/dbraw/zinc/90/48/25/1029904825.db2.gz RAEJOLAKFQNLPG-CYBMUJFWSA-N -1 0 344.436 3.671 20 0 EHADRM Cc1ncc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cn1 ZINC000343260234 1029972028 /nfs/dbraw/zinc/97/20/28/1029972028.db2.gz GIVJYPCEEWULJR-UHFFFAOYSA-N -1 0 331.441 3.634 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccsc2)c(Br)c1 ZINC000089750315 1029982995 /nfs/dbraw/zinc/98/29/95/1029982995.db2.gz WUTDNFMUBPEIEH-UHFFFAOYSA-N -1 0 332.244 3.620 20 0 EHADRM Cc1cc(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)ccc1CO ZINC001211585355 1029986383 /nfs/dbraw/zinc/98/63/83/1029986383.db2.gz PSZMJDMJUKFAIO-UHFFFAOYSA-N -1 0 343.404 3.631 20 0 EHADRM O=C(CSc1n[n-]c(=Nc2cccc(F)c2)s1)C1CCCC1 ZINC000525623164 1029994180 /nfs/dbraw/zinc/99/41/80/1029994180.db2.gz IJFFFCFWEGUITP-UHFFFAOYSA-N -1 0 337.445 3.694 20 0 EHADRM Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)c2cccnc12 ZINC000481848910 1030029090 /nfs/dbraw/zinc/02/90/90/1030029090.db2.gz PQYICGAVXMTOCU-UHFFFAOYSA-N -1 0 338.432 3.833 20 0 EHADRM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1sccc1OC ZINC000481862484 1030054705 /nfs/dbraw/zinc/05/47/05/1030054705.db2.gz DMHXDTSZIFPYNX-UHFFFAOYSA-N -1 0 339.482 3.991 20 0 EHADRM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(C3CCC3)cc2)cc1F ZINC000447279863 1030063399 /nfs/dbraw/zinc/06/33/99/1030063399.db2.gz UDHYPVOFFXAENB-UHFFFAOYSA-N -1 0 349.383 3.592 20 0 EHADRM O=S(=O)([N-]c1ccc(C(F)(F)F)nc1)c1ccc(Cl)cc1 ZINC000090166789 1030076673 /nfs/dbraw/zinc/07/66/73/1030076673.db2.gz PGRCAZARHWOISS-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2ncc(C(C)C)s2)cc1C ZINC000525726298 1030076854 /nfs/dbraw/zinc/07/68/54/1030076854.db2.gz UPPOTXSTZPVCHC-UHFFFAOYSA-N -1 0 340.470 3.774 20 0 EHADRM CC(C)N(C)c1ccc(/C=C\c2ncc(/C=C/C(=O)[O-])s2)cn1 ZINC000588578683 1030114604 /nfs/dbraw/zinc/11/46/04/1030114604.db2.gz HNIBUEMCEPMJMJ-LDFAFZTOSA-N -1 0 329.425 3.651 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N3CCCC3(C)C)s2)c1 ZINC000481957143 1030133369 /nfs/dbraw/zinc/13/33/69/1030133369.db2.gz KLLNUYUBLPUAQY-UHFFFAOYSA-N -1 0 330.457 3.650 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N3C[C@@H](C)C[C@H]3C)s2)c1 ZINC000481953603 1030133641 /nfs/dbraw/zinc/13/36/41/1030133641.db2.gz XYFCHGTYXCCWBJ-QWHCGFSZSA-N -1 0 330.457 3.506 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(C(F)(F)F)c2)s1 ZINC000042317431 1030146461 /nfs/dbraw/zinc/14/64/61/1030146461.db2.gz QZPDNYWXUORKEY-UHFFFAOYSA-N -1 0 349.355 3.769 20 0 EHADRM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])C1 ZINC000447597034 1030333746 /nfs/dbraw/zinc/33/37/46/1030333746.db2.gz DCRUUCPEUXRZRG-AGIUHOORSA-N -1 0 347.846 3.738 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cccc(Cl)c2Cl)CC[C@H]1C(=O)[O-] ZINC000313979032 1030384522 /nfs/dbraw/zinc/38/45/22/1030384522.db2.gz PGTASYSWLIIXEZ-RKDXNWHRSA-N -1 0 331.199 3.568 20 0 EHADRM O=C(N=c1[n-]nc(-c2cc3ccccc3o2)s1)N1C2CCC1CC2 ZINC000526068619 1030393008 /nfs/dbraw/zinc/39/30/08/1030393008.db2.gz WIHYQWDOAFAAQD-UHFFFAOYSA-N -1 0 340.408 3.532 20 0 EHADRM CO[C@@H]1CCOc2c([N-]S(=O)(=O)c3ccc(C)c(C)c3)cccc21 ZINC000447780746 1030478996 /nfs/dbraw/zinc/47/89/96/1030478996.db2.gz RMELTKOAAYOLJX-QGZVFWFLSA-N -1 0 347.436 3.574 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)c3sc(C)nc3CC(C)C)[nH][n-]2)o1 ZINC000447800723 1030483659 /nfs/dbraw/zinc/48/36/59/1030483659.db2.gz WNUALBFLWZTGFS-UHFFFAOYSA-N -1 0 344.440 3.616 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)Cc3ccccc3C(F)(F)F)[nH][n-]2)o1 ZINC000447801094 1030483913 /nfs/dbraw/zinc/48/39/13/1030483913.db2.gz BAMMEJMRPPZPMA-UHFFFAOYSA-N -1 0 349.312 3.600 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)c3ccc(C)c(C)c3Cl)[nH][n-]2)o1 ZINC000447798640 1030484496 /nfs/dbraw/zinc/48/44/96/1030484496.db2.gz ZDACFCWTNVWEHV-UHFFFAOYSA-N -1 0 329.787 3.923 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)[C@H](C)c3cn(C)c4ccccc34)[nH][n-]2)o1 ZINC000447803640 1030488395 /nfs/dbraw/zinc/48/83/95/1030488395.db2.gz UDMSIBGGOHLLSC-CYBMUJFWSA-N -1 0 348.406 3.634 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)[C@@H](C)c3cn(C)c4ccccc34)[nH][n-]2)o1 ZINC000447803641 1030489147 /nfs/dbraw/zinc/48/91/47/1030489147.db2.gz UDMSIBGGOHLLSC-ZDUSSCGKSA-N -1 0 348.406 3.634 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)c(Cl)c1 ZINC000526949835 1030498414 /nfs/dbraw/zinc/49/84/14/1030498414.db2.gz HTNFADUIIYLIOK-UHFFFAOYSA-N -1 0 334.828 3.941 20 0 EHADRM O=C([O-])C1CCC(C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)CC1 ZINC000194392097 1030507927 /nfs/dbraw/zinc/50/79/27/1030507927.db2.gz XCPUHQYEINXLNX-SEEARECTSA-N -1 0 335.831 3.895 20 0 EHADRM C[C@H](C(=O)N=c1nc(C(C)(C)C)[n-]s1)c1cc2ccccc2o1 ZINC000482534264 1030516248 /nfs/dbraw/zinc/51/62/48/1030516248.db2.gz NQDOHZNEXIOGPS-JTQLQIEISA-N -1 0 329.425 3.746 20 0 EHADRM C=Cc1ccc(C(=O)N=c2[n-]nc(-c3cc(F)ccc3C)s2)cc1 ZINC000526960183 1030521111 /nfs/dbraw/zinc/52/11/11/1030521111.db2.gz SPSVGXIZOHIYCN-UHFFFAOYSA-N -1 0 339.395 3.970 20 0 EHADRM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3ccccc3n2)c1 ZINC000448110873 1030526745 /nfs/dbraw/zinc/52/67/45/1030526745.db2.gz VKODGDONPPMRJA-UHFFFAOYSA-N -1 0 340.404 3.628 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)CC23CC4CC(CC(C4)C2)C3)C1 ZINC000237975818 1030541544 /nfs/dbraw/zinc/54/15/44/1030541544.db2.gz ORIKVGJQRLOEGO-KMYSJOAASA-N -1 0 333.472 3.696 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)sc1C(=O)[O-] ZINC000237510444 1030548569 /nfs/dbraw/zinc/54/85/69/1030548569.db2.gz MIPRPCDDIDFHJQ-VALILCMLSA-N -1 0 348.468 3.543 20 0 EHADRM CC(C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1)=C1CCCC1 ZINC000161853946 1030576207 /nfs/dbraw/zinc/57/62/07/1030576207.db2.gz LSXDSXRCGMDKIA-UHFFFAOYSA-N -1 0 329.421 3.535 20 0 EHADRM CC(C(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)=C1CCCC1 ZINC000161854683 1030578806 /nfs/dbraw/zinc/57/88/06/1030578806.db2.gz VYBBRDRQQHHTSU-UHFFFAOYSA-N -1 0 348.251 3.689 20 0 EHADRM CCc1cccc(C(=O)Nc2cc(OC)c(OC)c(C)c2OC)c1O ZINC000527031248 1030580804 /nfs/dbraw/zinc/58/08/04/1030580804.db2.gz LMMQUFMCNIHKLK-UHFFFAOYSA-N -1 0 345.395 3.541 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N2CCC[C@@H]2/C=C/c2ccccc2)CC1 ZINC000583755308 1030643458 /nfs/dbraw/zinc/64/34/58/1030643458.db2.gz LQDPNMRWQBSIAF-WBGLXSAVSA-N -1 0 341.451 3.972 20 0 EHADRM CC(C)[C@@H]1CCCCN1C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000447990422 1030643976 /nfs/dbraw/zinc/64/39/76/1030643976.db2.gz MLTOJDLDRXZEQM-LBPRGKRZSA-N -1 0 336.486 3.731 20 0 EHADRM C[C@@H](CC(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-])c1ccccc1C(F)(F)F ZINC000237518385 1030645889 /nfs/dbraw/zinc/64/58/89/1030645889.db2.gz GMGGUOXVMOBWGO-VHRBIJSZSA-N -1 0 343.345 3.569 20 0 EHADRM Cc1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1C(=O)[O-] ZINC001211596658 1030676125 /nfs/dbraw/zinc/67/61/25/1030676125.db2.gz ILGGNBCAKMDHBQ-UHFFFAOYSA-N -1 0 345.362 3.566 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)cc1 ZINC000194485797 1030704375 /nfs/dbraw/zinc/70/43/75/1030704375.db2.gz PXSYWAMXRQBGSE-CYFREDJKSA-N -1 0 347.455 3.755 20 0 EHADRM C[C@@H](NC(=O)N=c1ccc(C2CC2)n[n-]1)c1ccc2c(c1)CCCC2 ZINC000448151185 1030773997 /nfs/dbraw/zinc/77/39/97/1030773997.db2.gz KXNVBNIOLOEHPE-CYBMUJFWSA-N -1 0 336.439 3.537 20 0 EHADRM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000448152152 1030774938 /nfs/dbraw/zinc/77/49/38/1030774938.db2.gz WAHCKECDMUNSIH-OAHLLOKOSA-N -1 0 344.846 3.572 20 0 EHADRM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000448157142 1030780752 /nfs/dbraw/zinc/78/07/52/1030780752.db2.gz QTOXHVYBTHKDCL-LJQANCHMSA-N -1 0 338.455 3.945 20 0 EHADRM CO[C@@H](C)c1nsc(=NCCCCc2ccc(Cl)s2)[n-]1 ZINC000583803689 1030788984 /nfs/dbraw/zinc/78/89/84/1030788984.db2.gz KPAVYEWSNNNTRA-VIFPVBQESA-N -1 0 331.894 3.817 20 0 EHADRM C[C@H]1CCCC[C@@H]1OCC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000073086709 1030802967 /nfs/dbraw/zinc/80/29/67/1030802967.db2.gz FKDYGEGLVBCSNP-FZMZJTMJSA-N -1 0 345.848 3.581 20 0 EHADRM C[C@H]1CN(C(=O)c2cccc(Nc3ccccc3)c2)CC[C@@H]1C(=O)[O-] ZINC000902166623 1030826090 /nfs/dbraw/zinc/82/60/90/1030826090.db2.gz AHXADVVZXRCXTF-KSSFIOAISA-N -1 0 338.407 3.613 20 0 EHADRM Cc1ccccc1S([O-])=CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000194529966 1030837588 /nfs/dbraw/zinc/83/75/88/1030837588.db2.gz RODIQVOPWDNCQG-DVECYGJZSA-N -1 0 347.455 3.755 20 0 EHADRM Cc1ccccc1S([O-])=CC(=O)NCCc1ccc(C(C)C)cc1 ZINC000194530280 1030838064 /nfs/dbraw/zinc/83/80/64/1030838064.db2.gz ZNRLISBZYYMEET-XMMPIXPASA-N -1 0 343.492 3.585 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nccc(C)n3)cc2)s1 ZINC000115312626 1030853638 /nfs/dbraw/zinc/85/36/38/1030853638.db2.gz IOHKTYZGHGZLSM-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM CC(C)c1ccccc1S(=O)(=O)[N-]c1cc(Cl)ccc1O ZINC000468355186 1030875713 /nfs/dbraw/zinc/87/57/13/1030875713.db2.gz DDWIOWIFGRDBEN-UHFFFAOYSA-N -1 0 325.817 3.970 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccccc2F)nn1C1CCCCC1 ZINC000583844828 1030914604 /nfs/dbraw/zinc/91/46/04/1030914604.db2.gz HBLQWNITBMKWPG-UHFFFAOYSA-N -1 0 337.420 3.637 20 0 EHADRM CC[C@](CNC(=O)CCCc1cccs1)(C(=O)[O-])c1ccccc1 ZINC000262879191 1030940386 /nfs/dbraw/zinc/94/03/86/1030940386.db2.gz ATZGBXIWHIQEHK-LJQANCHMSA-N -1 0 345.464 3.620 20 0 EHADRM Cc1nc(=NCCc2csc(-c3ccc(Cl)cc3)n2)s[n-]1 ZINC000536149882 1030980736 /nfs/dbraw/zinc/98/07/36/1030980736.db2.gz IYKDACFUVJDQDS-UHFFFAOYSA-N -1 0 336.873 3.700 20 0 EHADRM CCc1ccc(C(=O)[O-])cc1NCc1ccc(N2CCCC2)nc1 ZINC000551055589 1030989097 /nfs/dbraw/zinc/98/90/97/1030989097.db2.gz OEJQAXIWPZSRHJ-UHFFFAOYSA-N -1 0 325.412 3.555 20 0 EHADRM Cc1[nH]nc([N-]S(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)c1C ZINC000532376685 1031016757 /nfs/dbraw/zinc/01/67/57/1031016757.db2.gz NNTMDSWXLCVCBV-UHFFFAOYSA-N -1 0 335.473 3.742 20 0 EHADRM COc1ncccc1[N-]S(=O)(=O)c1cc(C(C)C)ccc1Cl ZINC000551107713 1031039465 /nfs/dbraw/zinc/03/94/65/1031039465.db2.gz ZQTBTANJYPRVFV-UHFFFAOYSA-N -1 0 340.832 3.668 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)no1 ZINC000476908873 1031063126 /nfs/dbraw/zinc/06/31/26/1031063126.db2.gz NFUYLXBMEZDBSH-UHFFFAOYSA-N -1 0 348.346 3.792 20 0 EHADRM CCC(CC)(NC(=O)c1cc(=O)[nH][n-]1)c1ccc(Cl)c(Cl)c1 ZINC000668238272 1031133613 /nfs/dbraw/zinc/13/36/13/1031133613.db2.gz LTXKMBRRWYZPMN-UHFFFAOYSA-N -1 0 342.226 3.867 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC000262901802 1031155108 /nfs/dbraw/zinc/15/51/08/1031155108.db2.gz ISRCYXAFELCXNS-NOLJZWGESA-N -1 0 349.427 3.706 20 0 EHADRM COCc1n[n-]c(=NCC[C@H](C)c2cccc(C(F)(F)F)c2)s1 ZINC000477104872 1031241346 /nfs/dbraw/zinc/24/13/46/1031241346.db2.gz YDLSGPCAYHABND-JTQLQIEISA-N -1 0 345.390 3.731 20 0 EHADRM CCOc1ccccc1[C@H](CC(C)C)N=c1[n-]nc(COC)s1 ZINC000477104298 1031255697 /nfs/dbraw/zinc/25/56/97/1031255697.db2.gz YFLOYMLODZRZGF-AWEZNQCLSA-N -1 0 335.473 3.704 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)c2cc(Cl)ccc2F)n1 ZINC000551386689 1031282666 /nfs/dbraw/zinc/28/26/66/1031282666.db2.gz UGKCEDRGYRKNPH-UHFFFAOYSA-N -1 0 334.825 3.689 20 0 EHADRM CC(=O)c1cc(F)c([N-]C(=O)c2nc(C3CC3)oc2C)c(F)c1F ZINC000343535344 1031299829 /nfs/dbraw/zinc/29/98/29/1031299829.db2.gz JENKTVWHUFSGLO-UHFFFAOYSA-N -1 0 338.285 3.733 20 0 EHADRM CCCOc1cccc(NC(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000583987960 1031324439 /nfs/dbraw/zinc/32/44/39/1031324439.db2.gz VWBIIAIEPNVOMN-QGZVFWFLSA-N -1 0 342.395 3.765 20 0 EHADRM CC(C)(c1ccc(C(=O)N2CCC[C@@H]2CC(=O)[O-])cc1)C(F)(F)F ZINC000668289016 1031397123 /nfs/dbraw/zinc/39/71/23/1031397123.db2.gz MSQSKQVYCYSGPZ-CYBMUJFWSA-N -1 0 343.345 3.606 20 0 EHADRM CCC[C@H](CNC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1)C(=O)[O-] ZINC000668291243 1031401122 /nfs/dbraw/zinc/40/11/22/1031401122.db2.gz HYTYBXPGAYMTEA-GFCCVEGCSA-N -1 0 345.361 3.757 20 0 EHADRM CC(C)c1ccc(C(C)(C)NC(=O)c2ccc3oc(=O)nc-3[n-]2)cc1 ZINC000668308246 1031437291 /nfs/dbraw/zinc/43/72/91/1031437291.db2.gz WROQPNLCSZXNST-UHFFFAOYSA-N -1 0 339.395 3.717 20 0 EHADRM CC[C@H](N=c1nc(-c2ccccc2C)[n-]s1)c1c(C)nn(C)c1C ZINC000527909497 1031441612 /nfs/dbraw/zinc/44/16/12/1031441612.db2.gz JWNGCOHBKMZRGP-HNNXBMFYSA-N -1 0 341.484 3.849 20 0 EHADRM CC[C@H]1CCCN(C(=O)N=c2[n-]nc(C=Cc3ccco3)s2)CC1 ZINC000484109262 1031460876 /nfs/dbraw/zinc/46/08/76/1031460876.db2.gz IMRNBNSELOXVCM-WSROAFLRSA-N -1 0 346.456 3.767 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CC[C@H](C)[C@@H]3C)n2)cc1 ZINC000177063760 1031529058 /nfs/dbraw/zinc/52/90/58/1031529058.db2.gz MLFNWBUSDMNMBU-KBPBESRZSA-N -1 0 327.428 3.572 20 0 EHADRM CCOc1cncc(CNc2ccc(C[C@@H](CC)C(=O)[O-])cc2)c1 ZINC000904015214 1031601380 /nfs/dbraw/zinc/60/13/80/1031601380.db2.gz IXULJGOPGHLBSZ-MRXNPFEDSA-N -1 0 328.412 3.746 20 0 EHADRM Cc1nn(C)c(Cl)c1CNc1ccc(S[C@@H](C)C(=O)[O-])cc1 ZINC000904017095 1031605503 /nfs/dbraw/zinc/60/55/03/1031605503.db2.gz GOIQMPATCZSETO-JTQLQIEISA-N -1 0 339.848 3.559 20 0 EHADRM Cc1nn2c(nc(C(C)C)c2CNc2ccc(F)c(C(=O)[O-])c2)s1 ZINC000904007529 1031623968 /nfs/dbraw/zinc/62/39/68/1031623968.db2.gz MCBROPPPONJTHK-UHFFFAOYSA-N -1 0 348.403 3.672 20 0 EHADRM C[C@@H](OC(C)(C)C)[C@H](NCc1ccc(-c2ccc(F)cc2)o1)C(=O)[O-] ZINC000904012158 1031631918 /nfs/dbraw/zinc/63/19/18/1031631918.db2.gz QUKZGZZAXDTWOL-PXAZEXFGSA-N -1 0 349.402 3.832 20 0 EHADRM CSC[C@@H](NCc1ccc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000904040860 1031656797 /nfs/dbraw/zinc/65/67/97/1031656797.db2.gz WNNWFRHLHBRYNU-CYBMUJFWSA-N -1 0 325.817 3.506 20 0 EHADRM CCc1oc2ccccc2c1CN[C@H](CC)c1nc(C(=O)[O-])c[nH]1 ZINC000904063935 1031688531 /nfs/dbraw/zinc/68/85/31/1031688531.db2.gz GQLHUCCEEVJVBK-CYBMUJFWSA-N -1 0 327.384 3.657 20 0 EHADRM CCc1cccc(NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)c1 ZINC000904195654 1031843764 /nfs/dbraw/zinc/84/37/64/1031843764.db2.gz VUVHBTZWDWQKDV-UHFFFAOYSA-N -1 0 328.412 3.755 20 0 EHADRM O=C([O-])N[C@H]1C[C@H](Nc2ccccc2CC(F)(F)F)C12CCC2 ZINC000904198600 1031846260 /nfs/dbraw/zinc/84/62/60/1031846260.db2.gz BTPWBOOKIBNBPE-STQMWFEESA-N -1 0 328.334 3.782 20 0 EHADRM O=C([O-])N[C@H]1C[C@H](Nc2ccc(CC(F)(F)F)cc2)C12CCC2 ZINC000904200236 1031847880 /nfs/dbraw/zinc/84/78/80/1031847880.db2.gz WHEJDDMISVOMNG-STQMWFEESA-N -1 0 328.334 3.782 20 0 EHADRM O=C([O-])N[C@H]1C[C@H](Nc2ccccc2OCC(F)(F)F)C12CCC2 ZINC000904200108 1031848973 /nfs/dbraw/zinc/84/89/73/1031848973.db2.gz RARQLJXEKCGOIF-STQMWFEESA-N -1 0 344.333 3.618 20 0 EHADRM CCc1c([N-]S(=O)(=O)Cc2ccccc2C)onc1C(F)(F)F ZINC000460577391 1031877556 /nfs/dbraw/zinc/87/75/56/1031877556.db2.gz SOJVQLQISFGXLB-UHFFFAOYSA-N -1 0 348.346 3.506 20 0 EHADRM Oc1ccc(-c2noc(-c3ccn(-c4ccc(F)cc4)n3)n2)c(F)c1 ZINC000445458622 1031903429 /nfs/dbraw/zinc/90/34/29/1031903429.db2.gz UDMGDZGCTJBHOM-UHFFFAOYSA-N -1 0 340.289 3.573 20 0 EHADRM Cc1ncoc1-c1ccc(N[C@H]2C[C@H](NC(=O)[O-])C23CCC3)cc1 ZINC000904257719 1031904000 /nfs/dbraw/zinc/90/40/00/1031904000.db2.gz CHHGBLWWEGQRIT-GJZGRUSLSA-N -1 0 327.384 3.641 20 0 EHADRM Oc1ccc(-c2noc(/C=C/c3cnc4ccccc4n3)n2)c(F)c1 ZINC000445459546 1031914186 /nfs/dbraw/zinc/91/41/86/1031914186.db2.gz CSNCKOFQDWQUIA-VMPITWQZSA-N -1 0 334.310 3.695 20 0 EHADRM CCCN(C(=O)Nc1ccc(C)c(OC(F)F)c1)[C@@H](CC)C(=O)[O-] ZINC000584210255 1031945474 /nfs/dbraw/zinc/94/54/74/1031945474.db2.gz CQGWNJMNPBXLSB-LBPRGKRZSA-N -1 0 344.358 3.704 20 0 EHADRM Cc1cc(C)c(C(=O)NC[C@](C)(C(=O)[O-])c2ccc(F)cc2)c(C)c1 ZINC000448992431 1031999486 /nfs/dbraw/zinc/99/94/86/1031999486.db2.gz LEBGOXMGDDHTSY-FQEVSTJZSA-N -1 0 343.398 3.523 20 0 EHADRM Cc1ccc(C(=O)NCCCOc2ccc(Cl)cc2C)c(O)c1 ZINC001626730871 1032022999 /nfs/dbraw/zinc/02/29/99/1032022999.db2.gz QALQDJRIOGSXKX-UHFFFAOYSA-N -1 0 333.815 3.861 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccccc2OC2CCCCC2)CC[C@@H]1C(=O)[O-] ZINC000449002867 1032040041 /nfs/dbraw/zinc/04/00/41/1032040041.db2.gz NMBOUGOFJUJIMW-ZBFHGGJFSA-N -1 0 345.439 3.581 20 0 EHADRM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccnn1CCC(C)C ZINC000584271314 1032046217 /nfs/dbraw/zinc/04/62/17/1032046217.db2.gz DXYDZMQSTXGYDU-UHFFFAOYSA-N -1 0 341.864 3.692 20 0 EHADRM COc1ccccc1-c1cccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC000263337819 1033367590 /nfs/dbraw/zinc/36/75/90/1033367590.db2.gz RDMWSYHFQFCCBV-CABCVRRESA-N -1 0 339.391 3.802 20 0 EHADRM Cc1cc(C)c(CN=c2[n-]nc([C@H]3Cc4ccccc4O3)o2)cc1C ZINC000537489048 1033368052 /nfs/dbraw/zinc/36/80/52/1033368052.db2.gz DDWZPSGDBIPWTG-GOSISDBHSA-N -1 0 335.407 3.705 20 0 EHADRM FC(F)(F)Oc1cccc(CN=c2[n-]nc(CC3CCCC3)o2)c1 ZINC000537490272 1033389764 /nfs/dbraw/zinc/38/97/64/1033389764.db2.gz CRFHOGLYYCEELK-UHFFFAOYSA-N -1 0 341.333 3.735 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)c1n[n-]c2ccccc2c1=O ZINC000173623015 1033440160 /nfs/dbraw/zinc/44/01/60/1033440160.db2.gz GPXKTQIYERVSEX-UHFFFAOYSA-N -1 0 347.296 3.503 20 0 EHADRM C(CC1CCCCC1)Sc1n[n-]c(=NC[C@@H]2CCCO2)s1 ZINC000608101706 1033494438 /nfs/dbraw/zinc/49/44/38/1033494438.db2.gz GPBXKPBVJLEXFO-ZDUSSCGKSA-N -1 0 327.519 3.613 20 0 EHADRM C[C@H]1Cc2ccccc2N1C(=O)c1ccc(Br)cc1[O-] ZINC000044490380 1033496807 /nfs/dbraw/zinc/49/68/07/1033496807.db2.gz KJYVYODNSKHYGX-JTQLQIEISA-N -1 0 332.197 3.746 20 0 EHADRM COc1cccc([C@@H](C)NC(=O)c2c(C)ccc(C)c2C(=O)[O-])c1 ZINC000326651343 1033497922 /nfs/dbraw/zinc/49/79/22/1033497922.db2.gz YDSOCCGFBIKNAZ-CYBMUJFWSA-N -1 0 327.380 3.501 20 0 EHADRM O=C(c1c([O-])cc(F)cc1F)N1CCSC2(CCCCC2)C1 ZINC000080039038 1033532971 /nfs/dbraw/zinc/53/29/71/1033532971.db2.gz UTGGHPOGLIFOEB-UHFFFAOYSA-N -1 0 327.396 3.562 20 0 EHADRM CN(C(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)[C@@H]1CCc2ccccc21 ZINC000326670417 1033663172 /nfs/dbraw/zinc/66/31/72/1033663172.db2.gz JBTGSHLISYEXJS-WIYYLYMNSA-N -1 0 337.419 3.565 20 0 EHADRM C[C@@H]1CN(C(=O)c2cccc(Br)c2[O-])[C@H]1c1ccccc1 ZINC000608481930 1033706744 /nfs/dbraw/zinc/70/67/44/1033706744.db2.gz BGMKWRLYBLCMAN-IAQYHMDHSA-N -1 0 346.224 3.988 20 0 EHADRM CCN(Cc1cccs1)C(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000063809038 1033735439 /nfs/dbraw/zinc/73/54/39/1033735439.db2.gz MAUAOZZOTMATNU-UHFFFAOYSA-N -1 0 345.449 3.722 20 0 EHADRM Cc1cc(Br)c(S(=O)(=O)[N-]c2cccc(C)c2)s1 ZINC000460412406 1033754775 /nfs/dbraw/zinc/75/47/75/1033754775.db2.gz OLPKZYQSELAALJ-UHFFFAOYSA-N -1 0 346.271 3.928 20 0 EHADRM C[C@H]1CCN(c2ccc3cc(Br)ccc3n2)C[C@@H]1C(=O)[O-] ZINC000575059321 1033771039 /nfs/dbraw/zinc/77/10/39/1033771039.db2.gz QELWNYFIGMPPBX-GWCFXTLKSA-N -1 0 349.228 3.544 20 0 EHADRM CCC[C@H]1[C@H](C)CCCN1C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000550651756 1033824269 /nfs/dbraw/zinc/82/42/69/1033824269.db2.gz PUZIQKDBAUBTSF-CJNGLKHVSA-N -1 0 345.418 3.758 20 0 EHADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000460428297 1033833107 /nfs/dbraw/zinc/83/31/07/1033833107.db2.gz OBDUXVGZYKGWAA-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM CCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000174258289 1033868610 /nfs/dbraw/zinc/86/86/10/1033868610.db2.gz XNOZHNUEUHGJDJ-AWEZNQCLSA-N -1 0 331.437 3.595 20 0 EHADRM c1ccc(-c2n[n-]c(=N[C@H](c3ccccc3)[C@H]3CCCO3)s2)cc1 ZINC000603704416 1033871405 /nfs/dbraw/zinc/87/14/05/1033871405.db2.gz BTNPDWMSERFKLN-IAGOWNOFSA-N -1 0 337.448 3.959 20 0 EHADRM Cc1noc(C)c1[C@H](C)NC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1 ZINC000603719970 1033879202 /nfs/dbraw/zinc/87/92/02/1033879202.db2.gz KTIUFIDZZREIAI-BBATYDOGSA-N -1 0 336.432 3.530 20 0 EHADRM CCC(CC)NC(=O)N=c1nc(SCc2ccccc2)[n-]s1 ZINC000476493488 1033956303 /nfs/dbraw/zinc/95/63/03/1033956303.db2.gz VCKVDFLZDVKFKW-UHFFFAOYSA-N -1 0 336.486 3.562 20 0 EHADRM CCOc1ccc(-c2ccc(OC)c(CC(=O)[O-])c2)cc1OCC ZINC000516981993 1034058026 /nfs/dbraw/zinc/05/80/26/1034058026.db2.gz RBILEFDHEANCGE-UHFFFAOYSA-N -1 0 330.380 3.787 20 0 EHADRM CCSCc1cccc(NC(=O)NC[C@H](C(=O)[O-])C2CCC2)c1 ZINC000596060007 1034063202 /nfs/dbraw/zinc/06/32/02/1034063202.db2.gz XNOOEBZTTIYJNW-HNNXBMFYSA-N -1 0 336.457 3.562 20 0 EHADRM COc1cccc(CN=c2[n-]nc(C(C)C)o2)c1OC1CCCC1 ZINC000450328993 1034114185 /nfs/dbraw/zinc/11/41/85/1034114185.db2.gz JPKZILIEGJLSSJ-UHFFFAOYSA-N -1 0 331.416 3.557 20 0 EHADRM CCOC(=O)c1csc(=N[C@@H](C)c2ccc(F)cc2Cl)[n-]1 ZINC000450341567 1034145694 /nfs/dbraw/zinc/14/56/94/1034145694.db2.gz KXXKISJQWKVZJM-QMMMGPOBSA-N -1 0 328.796 3.707 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H]1C(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000326345306 1034267035 /nfs/dbraw/zinc/26/70/35/1034267035.db2.gz BTGJKKKJQKOKNW-FMKPAKJESA-N -1 0 347.411 3.594 20 0 EHADRM CC(C)[C@H](NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])c1ccccc1Cl ZINC000604413620 1034371025 /nfs/dbraw/zinc/37/10/25/1034371025.db2.gz UPHRCWLAFJTUBQ-XEZPLFJOSA-N -1 0 335.831 3.820 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C[C@@H]1C[C@H]1c1ccccc1)C1CCCCC1 ZINC000450512834 1034448972 /nfs/dbraw/zinc/44/89/72/1034448972.db2.gz SVAMPOVPZODKKG-OKZBNKHCSA-N -1 0 329.440 3.720 20 0 EHADRM O=C(CCc1ccc(Cl)c(Cl)c1)N=c1ccc(C2CC2)n[n-]1 ZINC000604708291 1034463123 /nfs/dbraw/zinc/46/31/23/1034463123.db2.gz BAKNAAWDZBODDY-UHFFFAOYSA-N -1 0 336.222 3.654 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)Cc1ccccc1C(=O)[O-] ZINC000450529763 1034486900 /nfs/dbraw/zinc/48/69/00/1034486900.db2.gz AEFHUWPDJUWYDY-RDJZCZTQSA-N -1 0 337.419 3.722 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000450530619 1034489822 /nfs/dbraw/zinc/48/98/22/1034489822.db2.gz DSKJPZKOPUEPHN-BEFAXECRSA-N -1 0 337.419 3.722 20 0 EHADRM O=S(=O)([N-]c1noc2cc(Cl)ccc21)c1ccc(Cl)cc1 ZINC000569848766 1034800309 /nfs/dbraw/zinc/80/03/09/1034800309.db2.gz XENFWUWKHDKHJC-UHFFFAOYSA-N -1 0 343.191 3.935 20 0 EHADRM Cc1cc(-c2cccc(Cl)c2)ccc1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000605653347 1034811615 /nfs/dbraw/zinc/81/16/15/1034811615.db2.gz LMLKNONMMPLDMC-UHFFFAOYSA-N -1 0 347.827 3.839 20 0 EHADRM COc1ccccc1-c1nc(CN2CC[C@@H](C)C[C@@H]2C(=O)[O-])cs1 ZINC000584475602 1034836360 /nfs/dbraw/zinc/83/63/60/1034836360.db2.gz QVNYKJQJCQBLPA-IUODEOHRSA-N -1 0 346.452 3.504 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])[C@H]1COc2ccc(Cl)cc2C1 ZINC000605888423 1034838859 /nfs/dbraw/zinc/83/88/59/1034838859.db2.gz ZKBGFMSEHVFOKG-SNVBAGLBSA-N -1 0 338.190 3.889 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000601983031 1034847024 /nfs/dbraw/zinc/84/70/24/1034847024.db2.gz FIBZMNBGKSUELB-ISTVAULSSA-N -1 0 341.860 3.502 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N[C@H]2CC=CCC2)s1)c1ccccc1 ZINC000605924892 1034846616 /nfs/dbraw/zinc/84/66/16/1034846616.db2.gz UDVOUUVLSASENO-LSDHHAIUSA-N -1 0 342.468 3.732 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@H](C)S[C@H](C)C(=O)[O-])c(Cl)c1 ZINC000601987334 1034848598 /nfs/dbraw/zinc/84/85/98/1034848598.db2.gz GYUVDNRDEBETDD-VHSXEESVSA-N -1 0 345.848 3.661 20 0 EHADRM CCCc1nc(CN2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cs1 ZINC000584481351 1034947285 /nfs/dbraw/zinc/94/72/85/1034947285.db2.gz LCJBDOYWAVDTMX-GOEBONIOSA-N -1 0 336.501 3.951 20 0 EHADRM Cc1cc(Cl)cc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000431658359 1034988941 /nfs/dbraw/zinc/98/89/41/1034988941.db2.gz NZHNDDIUJHOXJE-WBMJQRKESA-N -1 0 331.799 3.840 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(C3CCOCC3)c2)c(F)c1 ZINC000530145064 1035003562 /nfs/dbraw/zinc/00/35/62/1035003562.db2.gz MZYXNGPWDLTQRC-UHFFFAOYSA-N -1 0 349.427 3.829 20 0 EHADRM Cc1cccc(C)c1CS(=O)(=O)Nc1ccc(C(F)(F)F)cn1 ZINC000450993712 1035004297 /nfs/dbraw/zinc/00/42/97/1035004297.db2.gz WOJPNIUCSPOYTP-UHFFFAOYSA-N -1 0 344.358 3.659 20 0 EHADRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(Cl)cc1C(C)C ZINC000530146218 1035006580 /nfs/dbraw/zinc/00/65/80/1035006580.db2.gz BEHFMVADRWOLSY-UHFFFAOYSA-N -1 0 328.821 3.869 20 0 EHADRM CC[C@H]1[C@@H](C)CCN1C(=O)c1cc(Br)c(F)cc1[O-] ZINC000451004696 1035023284 /nfs/dbraw/zinc/02/32/84/1035023284.db2.gz WCCBVIANXVXOBB-UFBFGSQYSA-N -1 0 330.197 3.554 20 0 EHADRM C[C@@H]1CN([C@H](c2ccccc2)c2ccc(Cl)cc2)C[C@@H](C(=O)[O-])O1 ZINC000530172393 1035045656 /nfs/dbraw/zinc/04/56/56/1035045656.db2.gz LKAQVQAYCKSLJM-JEBQAFNWSA-N -1 0 345.826 3.603 20 0 EHADRM C[C@H]1CC(F)(F)CCN1Cc1cc(Br)ccc1C(=O)[O-] ZINC000530173464 1035046148 /nfs/dbraw/zinc/04/61/48/1035046148.db2.gz PCKLNIOWQMPSLH-VIFPVBQESA-N -1 0 348.187 3.767 20 0 EHADRM CCCc1nc(=NC(=O)[C@H](C)Sc2ccccc2Cl)s[n-]1 ZINC000545259902 1035154023 /nfs/dbraw/zinc/15/40/23/1035154023.db2.gz UBKHUVWHAAZSCO-VIFPVBQESA-N -1 0 341.889 3.685 20 0 EHADRM O=C([N-][C@H](c1cccs1)c1ccc(F)cc1)C(F)(F)C(F)F ZINC000318446989 1035154037 /nfs/dbraw/zinc/15/40/37/1035154037.db2.gz TYNUNJBWXFRFDT-NSHDSACASA-N -1 0 335.297 3.993 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000317015844 1035239284 /nfs/dbraw/zinc/23/92/84/1035239284.db2.gz BQYHOUSGCZUHGN-DTWKUNHWSA-N -1 0 335.709 3.798 20 0 EHADRM C[C@H]1CCCN(Cc2nc(=O)c3sccc3[n-]2)c2ccccc21 ZINC000185986226 1035295012 /nfs/dbraw/zinc/29/50/12/1035295012.db2.gz LNTWQBLHULDSPV-LBPRGKRZSA-N -1 0 325.437 3.889 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCC(c2ccc(F)cn2)CC1 ZINC000636236837 1035379561 /nfs/dbraw/zinc/37/95/61/1035379561.db2.gz JSCAXAVPDZGWNL-UHFFFAOYSA-N -1 0 334.778 3.600 20 0 EHADRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cccc2ccncc21 ZINC000548996089 1035417093 /nfs/dbraw/zinc/41/70/93/1035417093.db2.gz GTWHLPHLAGJFIF-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM CCC(CC)(CNC(=O)c1ccc2c3c(cccc31)CC2)C(=O)[O-] ZINC000431782842 1035480635 /nfs/dbraw/zinc/48/06/35/1035480635.db2.gz HDFLBOLNUACLIL-UHFFFAOYSA-N -1 0 325.408 3.559 20 0 EHADRM CC(C)(C(=O)[N-]OCc1cc(-c2ccccc2)no1)c1ccccc1 ZINC000066468818 1035487354 /nfs/dbraw/zinc/48/73/54/1035487354.db2.gz UUJUSUAFGPPZOD-UHFFFAOYSA-N -1 0 336.391 3.867 20 0 EHADRM Cc1cc(Cl)c(NC(=O)CC(C)(C)C(=O)[O-])cc1Br ZINC000414100244 1035495110 /nfs/dbraw/zinc/49/51/10/1035495110.db2.gz KZBNVIFUFJCTAL-UHFFFAOYSA-N -1 0 348.624 3.850 20 0 EHADRM CC[C@H](C)NC(=O)C[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000414100259 1035495382 /nfs/dbraw/zinc/49/53/82/1035495382.db2.gz RHVYCTDRHNYDMF-VFZGTOFNSA-N -1 0 332.227 3.641 20 0 EHADRM C[C@@](CC(=O)N[C@@H]1CCC12CCCC2)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000414103345 1035513415 /nfs/dbraw/zinc/51/34/15/1035513415.db2.gz UJJSPNDBIAAWTA-QAPCUYQASA-N -1 0 349.858 3.911 20 0 EHADRM CO[C@H](C)c1nc(=NCC2(c3ccc(F)cc3)CCCC2)s[n-]1 ZINC000509707172 1035517161 /nfs/dbraw/zinc/51/71/61/1035517161.db2.gz FLCPDANZVGYBND-GFCCVEGCSA-N -1 0 335.448 3.730 20 0 EHADRM CC(=C([O-])c1ccc2c(c1)CCC2)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000492240194 1035519439 /nfs/dbraw/zinc/51/94/39/1035519439.db2.gz LQAULJLEEJWRHR-OAHLLOKOSA-N -1 0 342.460 3.837 20 0 EHADRM CC(C)(C)Cc1csc([N-]S(=O)(=O)Cc2cccc(F)c2)n1 ZINC000540651375 1035539918 /nfs/dbraw/zinc/53/99/18/1035539918.db2.gz YRESZFPZDCKGAF-UHFFFAOYSA-N -1 0 342.461 3.813 20 0 EHADRM O=C(N[C@@H](CC1CCC1)c1ccccc1)c1ccc2oc(=O)nc-2[n-]1 ZINC000613312791 1035541119 /nfs/dbraw/zinc/54/11/19/1035541119.db2.gz ZCBUMJLGBGIPHQ-HNNXBMFYSA-N -1 0 337.379 3.590 20 0 EHADRM CCC(CC)(CNC(=O)C[C@@H](C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000431797078 1035542592 /nfs/dbraw/zinc/54/25/92/1035542592.db2.gz VTMRCBQLRTWCPQ-ZDUSSCGKSA-N -1 0 339.863 3.916 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)Nc2cccc(OC(F)F)c2)s1 ZINC000613314536 1035545746 /nfs/dbraw/zinc/54/57/46/1035545746.db2.gz PAFGMAUIIGZOQZ-UHFFFAOYSA-N -1 0 342.371 3.548 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)N[C@@H](CC(=O)[O-])C1CCCCC1 ZINC000540705415 1035584435 /nfs/dbraw/zinc/58/44/35/1035584435.db2.gz RTCJSGYZFJURIA-PBHICJAKSA-N -1 0 347.455 3.729 20 0 EHADRM CCc1nnc(-c2cccc(NC(=O)c3cc(Cl)ccc3[O-])c2)o1 ZINC000173312813 1035589972 /nfs/dbraw/zinc/58/99/72/1035589972.db2.gz BSDQJNUQFMBDQD-UHFFFAOYSA-N -1 0 343.770 3.910 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)N(C[C@H](C)C(=O)[O-])C2CC2)cc1 ZINC000431811955 1035645037 /nfs/dbraw/zinc/64/50/37/1035645037.db2.gz RQKIJJLUIRRKED-XVWMLYKFSA-N -1 0 329.440 3.925 20 0 EHADRM Cc1ccccc1CS(=O)(=O)[N-]c1nc(-c2ccco2)cs1 ZINC000186574773 1035659588 /nfs/dbraw/zinc/65/95/88/1035659588.db2.gz OKOJHVVMGMGQFG-UHFFFAOYSA-N -1 0 334.422 3.653 20 0 EHADRM CCCc1nc(C)c(C(=O)NCC2(CC(=O)[O-])CCCCC2)s1 ZINC000540775824 1035670467 /nfs/dbraw/zinc/67/04/67/1035670467.db2.gz RPWLTRJVBOACJN-UHFFFAOYSA-N -1 0 338.473 3.559 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000540774817 1035671869 /nfs/dbraw/zinc/67/18/69/1035671869.db2.gz BKLRMYROONMTQF-HNNXBMFYSA-N -1 0 339.476 3.656 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)CC1(CCc2ccccc2)CCCC1 ZINC000540783896 1035680958 /nfs/dbraw/zinc/68/09/58/1035680958.db2.gz LAEPRUXRVBYZDM-INIZCTEOSA-N -1 0 331.456 3.939 20 0 EHADRM CCC1(C)CN(C(=O)N=c2[n-]nc(-c3cccc(Cl)c3)s2)C1 ZINC000463658138 1035733469 /nfs/dbraw/zinc/73/34/69/1035733469.db2.gz OAPPBNGGYYTGSX-UHFFFAOYSA-N -1 0 336.848 3.544 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(-c2cnco2)cc1 ZINC000186956951 1035752414 /nfs/dbraw/zinc/75/24/14/1035752414.db2.gz ZHHGYXBFDKRASJ-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM O=S(=O)([N-]c1scnc1C1CC1)c1cccc2ccccc21 ZINC000534974477 1035851101 /nfs/dbraw/zinc/85/11/01/1035851101.db2.gz RCDBVNMJGFKXMZ-UHFFFAOYSA-N -1 0 330.434 3.975 20 0 EHADRM O=S(=O)([N-]c1cccc2c[nH]nc21)c1c(Cl)cccc1Cl ZINC000024425293 1035905949 /nfs/dbraw/zinc/90/59/49/1035905949.db2.gz HSHZGXWJJHBLDN-UHFFFAOYSA-N -1 0 342.207 3.671 20 0 EHADRM C[C@H](CC(=O)N(C)[C@@H](C)CC(=O)[O-])c1ccccc1C(F)(F)F ZINC000572017279 1035949148 /nfs/dbraw/zinc/94/91/48/1035949148.db2.gz XGNHLZGDXKUQDS-MNOVXSKESA-N -1 0 331.334 3.521 20 0 EHADRM Cc1cc2c(cc1C)O[C@H](C(=O)Nc1cc(Cl)c([O-])cc1F)C2 ZINC000376303373 1035954289 /nfs/dbraw/zinc/95/42/89/1035954289.db2.gz YPMKJJAANVTOKK-INIZCTEOSA-N -1 0 335.762 3.744 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(F)c(F)c2[O-])c1C(C)C ZINC000457299125 1035955961 /nfs/dbraw/zinc/95/59/61/1035955961.db2.gz SSTNGOWLHXLUTR-UHFFFAOYSA-N -1 0 336.338 3.885 20 0 EHADRM CCc1cc(Sc2n[n-]c(=Nc3ccccc3)s2)nc(C)n1 ZINC000541077223 1035960164 /nfs/dbraw/zinc/96/01/64/1035960164.db2.gz NMYICSMCDRUQMC-UHFFFAOYSA-N -1 0 329.454 3.516 20 0 EHADRM CC(C)(C)c1cnc(CN2[C@@H](C(=O)[O-])CC[C@H]2c2ccccc2)o1 ZINC000572379888 1036092816 /nfs/dbraw/zinc/09/28/16/1036092816.db2.gz STRQIUGFOAJSCO-LSDHHAIUSA-N -1 0 328.412 3.762 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2nccc3cc(Br)ccc32)C1 ZINC000263112201 1036094117 /nfs/dbraw/zinc/09/41/17/1036094117.db2.gz DONYEFVIKWOUQO-ZYHUDNBSSA-N -1 0 349.228 3.544 20 0 EHADRM c1ccc(Cc2n[n-]c(=N[C@@H]3CSc4ccccc43)s2)cc1 ZINC000541280218 1036136084 /nfs/dbraw/zinc/13/60/84/1036136084.db2.gz ZEJORTVCPVGJCT-CQSZACIVSA-N -1 0 325.462 3.810 20 0 EHADRM Cc1ccc2sc(C(=O)N=c3nc4ccc(Cl)cn4[n-]3)cc2c1 ZINC000464202691 1036213082 /nfs/dbraw/zinc/21/30/82/1036213082.db2.gz DEMSGGXQRKUORR-UHFFFAOYSA-N -1 0 342.811 3.580 20 0 EHADRM CCOCc1ccc(CN=c2[n-]nc(Cc3ccccc3)s2)cc1 ZINC000541349247 1036223387 /nfs/dbraw/zinc/22/33/87/1036223387.db2.gz MKTNNRFDHLYJSK-UHFFFAOYSA-N -1 0 339.464 3.699 20 0 EHADRM O=C(N=c1nc2ccc(Cl)cn2[n-]1)c1ccc(C2=CCCC2)cc1 ZINC000464211211 1036224494 /nfs/dbraw/zinc/22/44/94/1036224494.db2.gz TVDDDSZAIYYKDE-UHFFFAOYSA-N -1 0 338.798 3.624 20 0 EHADRM COc1cccc([C@H](C)N=c2[n-]nc(Cc3ccccc3)s2)c1 ZINC000541349580 1036226081 /nfs/dbraw/zinc/22/60/81/1036226081.db2.gz QBRKTJAGMFDVIL-ZDUSSCGKSA-N -1 0 325.437 3.733 20 0 EHADRM CC[C@@H](CC(F)F)C(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000457572037 1036296572 /nfs/dbraw/zinc/29/65/72/1036296572.db2.gz ZKZCTMKHCJSRIL-QMMMGPOBSA-N -1 0 345.802 3.900 20 0 EHADRM O=S(=O)([N-]c1nc2cc(Cl)ccc2s1)c1cccc(F)c1 ZINC000589266844 1036331228 /nfs/dbraw/zinc/33/12/28/1036331228.db2.gz IFFIREUIHZGKAC-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM CC(C)C[C@H](C)n1nccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000589271451 1036334012 /nfs/dbraw/zinc/33/40/12/1036334012.db2.gz QXFDLMIPWYMEPX-LBPRGKRZSA-N -1 0 341.864 3.944 20 0 EHADRM COCc1cc(-c2cc(C)ccc2OCCC(=O)[O-])ccc1OC ZINC000572542657 1036406459 /nfs/dbraw/zinc/40/64/59/1036406459.db2.gz INDNSZZEPWHGJP-UHFFFAOYSA-N -1 0 330.380 3.671 20 0 EHADRM Cc1nc(=NC(=O)C[C@@H](Cc2ccccc2)c2ccccc2)s[n-]1 ZINC000464430684 1036432273 /nfs/dbraw/zinc/43/22/73/1036432273.db2.gz QNHPGYLVRYYNDI-QGZVFWFLSA-N -1 0 337.448 3.624 20 0 EHADRM CC[C@](C)(NC(=O)/C=C\c1ccc(C(=O)[O-])cc1)c1nc(C)cs1 ZINC000492960744 1036457911 /nfs/dbraw/zinc/45/79/11/1036457911.db2.gz XWUYFUAEPVHRLK-VOCYLRNQSA-N -1 0 344.436 3.605 20 0 EHADRM O=C(Nc1ccc(O)c(Cl)c1)Nc1ccc2c(c1)CCC(=O)N2 ZINC000192189917 1036485236 /nfs/dbraw/zinc/48/52/36/1036485236.db2.gz CNUWYHGVBXLHQM-UHFFFAOYSA-N -1 0 331.759 3.574 20 0 EHADRM Cc1cccc2c1OCC[C@H]2NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000192639407 1036517806 /nfs/dbraw/zinc/51/78/06/1036517806.db2.gz OHGZQPLFOWTONT-CQSZACIVSA-N -1 0 335.762 3.747 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2cccc3cccnc32)cc1 ZINC000064474994 1036533476 /nfs/dbraw/zinc/53/34/76/1036533476.db2.gz FKAPFWHVIPEUBX-UHFFFAOYSA-N -1 0 330.434 3.758 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(OC)ccn2)cc1 ZINC000535506275 1036586902 /nfs/dbraw/zinc/58/69/02/1036586902.db2.gz CCKHHIJWLUQIRW-UHFFFAOYSA-N -1 0 334.441 3.579 20 0 EHADRM Cc1cccc2c1OC[C@H](NC(=O)c1cc(O)c3ccccc3c1)C2 ZINC000427969443 1036599631 /nfs/dbraw/zinc/59/96/31/1036599631.db2.gz WZJVQIQNVIMTRL-QGZVFWFLSA-N -1 0 333.387 3.587 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2ccc(-c3ccccc3F)o2)cc1 ZINC000013440028 1036603871 /nfs/dbraw/zinc/60/38/71/1036603871.db2.gz LSMLSJFAJDRGDC-UHFFFAOYSA-N -1 0 339.322 3.965 20 0 EHADRM C[C@H](CCOc1ccccc1)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000263194585 1036618085 /nfs/dbraw/zinc/61/80/85/1036618085.db2.gz IZQXPUAGIYVGKJ-CABCVRRESA-N -1 0 341.407 3.918 20 0 EHADRM Cc1nc(CN([C@@H](C)C(=O)[O-])C2CC2)oc1-c1ccc(Cl)cc1 ZINC000263198119 1036620060 /nfs/dbraw/zinc/62/00/60/1036620060.db2.gz WUDZUFLDJSJBII-NSHDSACASA-N -1 0 334.803 3.741 20 0 EHADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000263199011 1036624625 /nfs/dbraw/zinc/62/46/25/1036624625.db2.gz YKNBBDCRWSYDFV-WDEREUQCSA-N -1 0 333.771 3.535 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)[O-] ZINC000263200403 1036627677 /nfs/dbraw/zinc/62/76/77/1036627677.db2.gz UZBZMMAUEKOJBU-UTUOFQBUSA-N -1 0 337.382 3.751 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000263217574 1036638668 /nfs/dbraw/zinc/63/86/68/1036638668.db2.gz XWRTXGHYZMRCGZ-ZBFHGGJFSA-N -1 0 335.469 3.803 20 0 EHADRM CCC[C@H](CNC(=O)CCCc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000263230228 1036657567 /nfs/dbraw/zinc/65/75/67/1036657567.db2.gz SAMKAEYFVMHLLH-CYBMUJFWSA-N -1 0 345.361 3.645 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(c2ccnc3cc(Br)ccc32)C1 ZINC000263281314 1036746504 /nfs/dbraw/zinc/74/65/04/1036746504.db2.gz XHMSWFHGJRMKQJ-WDEREUQCSA-N -1 0 349.228 3.544 20 0 EHADRM CC(C)(C)c1csc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])n1 ZINC000321441695 1036747612 /nfs/dbraw/zinc/74/76/12/1036747612.db2.gz MTVFQPXERUEVCX-LLVKDONJSA-N -1 0 339.461 3.692 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)[N-]OCc1cccnc1 ZINC000152470604 1036833049 /nfs/dbraw/zinc/83/30/49/1036833049.db2.gz WGIUZUFNMFKBLE-OAHLLOKOSA-N -1 0 328.412 3.529 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@]1(C)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000263385065 1036842736 /nfs/dbraw/zinc/84/27/36/1036842736.db2.gz BWEUOYPKBRETCD-BDJLRTHQSA-N -1 0 343.345 3.665 20 0 EHADRM CCC[C@@H]1CCCC[C@H]1CNS(=O)(=O)c1cnc(Cl)c(F)c1 ZINC001212163318 1036852104 /nfs/dbraw/zinc/85/21/04/1036852104.db2.gz UHLDITFERHFFCD-NEPJUHHUSA-N -1 0 348.871 3.759 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)c1ccc(SCc2ccccc2)cc1 ZINC000263437331 1036913666 /nfs/dbraw/zinc/91/36/66/1036913666.db2.gz LSGGEVAYVPLBSR-KGLIPLIRSA-N -1 0 343.448 3.818 20 0 EHADRM O=C(N=c1ccc(C(F)(F)F)n[n-]1)c1cc2cc(Cl)ccc2o1 ZINC000541991389 1036952479 /nfs/dbraw/zinc/95/24/79/1036952479.db2.gz SGTYLRWSOXVDQE-UHFFFAOYSA-N -1 0 341.676 3.569 20 0 EHADRM Cc1c2nc([N-]S(=O)(=O)c3ccccc3F)sc2ccc1F ZINC000464893923 1036963475 /nfs/dbraw/zinc/96/34/75/1036963475.db2.gz OALMFJJEZHBIAY-UHFFFAOYSA-N -1 0 340.376 3.684 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1cccc(SC(F)F)c1 ZINC000263489602 1036989584 /nfs/dbraw/zinc/98/95/84/1036989584.db2.gz OEYNKRIJYDGILC-UHFFFAOYSA-N -1 0 332.372 3.766 20 0 EHADRM CCCCc1ccc(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)cc1 ZINC000671855385 1037021493 /nfs/dbraw/zinc/02/14/93/1037021493.db2.gz ASLGOZHYLQSBPP-UHFFFAOYSA-N -1 0 336.395 3.772 20 0 EHADRM O=c1nc(CN2CCC[C@@H]2c2cccc(Cl)c2)[n-]c2ccsc21 ZINC000053157516 1037050759 /nfs/dbraw/zinc/05/07/59/1037050759.db2.gz WIOTUDUTPKHVFV-CQSZACIVSA-N -1 0 345.855 3.975 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CCC[C@@H]1CC1CCCCC1 ZINC000539676896 1037056070 /nfs/dbraw/zinc/05/60/70/1037056070.db2.gz PIEIWXKOBYLQOJ-QGZVFWFLSA-N -1 0 329.440 3.889 20 0 EHADRM CC(C)Cc1n[n-]c(=NCc2ccc(Br)cc2Cl)o1 ZINC000539692743 1037083513 /nfs/dbraw/zinc/08/35/13/1037083513.db2.gz VPRZLMOHFHILFY-UHFFFAOYSA-N -1 0 344.640 3.718 20 0 EHADRM O=C(N=c1nc(-c2cccc(Cl)c2)[n-]s1)[C@H]1CCCCS1 ZINC000542164103 1037139941 /nfs/dbraw/zinc/13/99/41/1037139941.db2.gz JWJXSXXTQOMXCS-LLVKDONJSA-N -1 0 339.873 3.505 20 0 EHADRM O=C(Nc1ccn(-c2ccccc2)n1)c1ccc2oc(=S)[n-]c2c1 ZINC001167702616 1037144681 /nfs/dbraw/zinc/14/46/81/1037144681.db2.gz ZLCDLQIYYMXQMI-UHFFFAOYSA-N -1 0 336.376 3.555 20 0 EHADRM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2cccc(CC(=O)[O-])c2)C1 ZINC000653644369 1037149107 /nfs/dbraw/zinc/14/91/07/1037149107.db2.gz JBFQUYNOMXOZDM-FZKQIMNGSA-N -1 0 341.382 3.676 20 0 EHADRM CC(C)CCCNC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666516506 1037168472 /nfs/dbraw/zinc/16/84/72/1037168472.db2.gz XVESVAGWTGWVSM-UHFFFAOYSA-N -1 0 332.444 3.710 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2cc(C)n([C@H](C)C3CC3)n2)cc1 ZINC000542235418 1037187435 /nfs/dbraw/zinc/18/74/35/1037187435.db2.gz JFBQUJIPJMIFJQ-CQSZACIVSA-N -1 0 347.484 3.916 20 0 EHADRM C[C@@H](CN(C)C(=O)/C=C\c1ccc(Cl)c(C(F)(F)F)c1)C(=O)[O-] ZINC000493247031 1037194408 /nfs/dbraw/zinc/19/44/08/1037194408.db2.gz CEDUREUTIUMZJH-RNEXMXFGSA-N -1 0 349.736 3.551 20 0 EHADRM CCCn1nc(C)c(-c2ccc(-n3ncc(C(=O)[O-])c3C)cc2)c1C ZINC000519649798 1037197038 /nfs/dbraw/zinc/19/70/38/1037197038.db2.gz NOCDWABWXGAPQN-UHFFFAOYSA-N -1 0 338.411 3.769 20 0 EHADRM CCC1(Cc2ccccc2)CCN(C(=O)NCCCCC(=O)[O-])CC1 ZINC000666559243 1037208307 /nfs/dbraw/zinc/20/83/07/1037208307.db2.gz RUVRROSPQXCUMH-UHFFFAOYSA-N -1 0 346.471 3.686 20 0 EHADRM C[C@H](NC(=O)NCc1cccc(C(=O)[O-])c1)c1cccc(C2CC2)c1 ZINC000666549012 1037213241 /nfs/dbraw/zinc/21/32/41/1037213241.db2.gz PTNOOBNWBXYTBW-ZDUSSCGKSA-N -1 0 338.407 3.823 20 0 EHADRM CC(=O)Nc1cccc(NC(=O)c2c([O-])cc(Cl)cc2Cl)c1 ZINC000176948497 1037295627 /nfs/dbraw/zinc/29/56/27/1037295627.db2.gz DMVGNSINXFGZND-UHFFFAOYSA-N -1 0 339.178 3.910 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000659122036 1037311174 /nfs/dbraw/zinc/31/11/74/1037311174.db2.gz JOGBTYSWRQDVQG-UHFFFAOYSA-N -1 0 343.379 3.998 20 0 EHADRM CCCn1c2ccccc2nc1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000177003665 1037320634 /nfs/dbraw/zinc/32/06/34/1037320634.db2.gz ZOAAWPHDYVJGSS-UHFFFAOYSA-N -1 0 331.322 3.682 20 0 EHADRM O=C(Nc1cccc(OC(F)(F)F)c1)c1cc(F)c([O-])c(F)c1 ZINC000177020790 1037328317 /nfs/dbraw/zinc/32/83/17/1037328317.db2.gz UJYGIZQPYZICBL-UHFFFAOYSA-N -1 0 333.212 3.821 20 0 EHADRM O=C(NCCCSc1ccc(F)cc1)c1cc(F)c([O-])c(F)c1 ZINC000177025552 1037330944 /nfs/dbraw/zinc/33/09/44/1037330944.db2.gz QBXCFCGVTZSPLK-UHFFFAOYSA-N -1 0 341.354 3.722 20 0 EHADRM O=C(Nc1ccccc1COc1ccccc1)c1cccc2n[nH]nc21 ZINC000187401215 1037335927 /nfs/dbraw/zinc/33/59/27/1037335927.db2.gz PYZUKUGNQBMMRE-UHFFFAOYSA-N -1 0 344.374 3.789 20 0 EHADRM O=C(NCc1ccc(F)cc1C(F)(F)F)c1cc(F)c([O-])c(F)c1 ZINC000177062690 1037347649 /nfs/dbraw/zinc/34/76/49/1037347649.db2.gz FZOWMKYOPDMGLF-UHFFFAOYSA-N -1 0 349.230 3.758 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)CCCc1nc2ccccc2s1 ZINC000659161013 1037383084 /nfs/dbraw/zinc/38/30/84/1037383084.db2.gz FGNBYVDODPMQGG-AWEZNQCLSA-N -1 0 348.468 3.577 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCC[C@H]2Cc2ccccc2)C1 ZINC000659153471 1037387171 /nfs/dbraw/zinc/38/71/71/1037387171.db2.gz YPMSBXLVNJSXMW-WFXMLNOXSA-N -1 0 343.467 3.605 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000659155161 1037388784 /nfs/dbraw/zinc/38/87/84/1037388784.db2.gz ZOBFPRCPWGZCFB-DJIMGWMZSA-N -1 0 339.391 3.695 20 0 EHADRM COc1ccc(-c2cc3[n-]c(-c4cccnc4)nc(=O)c3s2)cc1 ZINC000053852819 1037391879 /nfs/dbraw/zinc/39/18/79/1037391879.db2.gz QFICAAMFQCKNNC-UHFFFAOYSA-N -1 0 335.388 3.722 20 0 EHADRM O=C([O-])C1CC(C(=O)Nc2cc(Cl)ccc2OC2CCCC2)C1 ZINC000659166039 1037398779 /nfs/dbraw/zinc/39/87/79/1037398779.db2.gz MGIXOPNCHCDMGY-UHFFFAOYSA-N -1 0 337.803 3.711 20 0 EHADRM COc1ccc(OCCCN=c2nc(-c3ccccc3)[n-]s2)cc1 ZINC000462789422 1037400972 /nfs/dbraw/zinc/40/09/72/1037400972.db2.gz JTFYKEHMJLGTOP-UHFFFAOYSA-N -1 0 341.436 3.517 20 0 EHADRM CCc1cccc2c1N(C(=O)c1ccc(Br)cc1[O-])CC2 ZINC001626270080 1037413284 /nfs/dbraw/zinc/41/32/84/1037413284.db2.gz LINUWVNMJLRXNZ-UHFFFAOYSA-N -1 0 346.224 3.920 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2ccc3c(c2)CCC=C3)n1 ZINC000659182074 1037429052 /nfs/dbraw/zinc/42/90/52/1037429052.db2.gz GVXJTUIUUDMNJU-MRXNPFEDSA-N -1 0 339.395 3.521 20 0 EHADRM CC(C)c1ccoc1C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC000659183175 1037434594 /nfs/dbraw/zinc/43/45/94/1037434594.db2.gz VULQYNGIEUGSSR-OAHLLOKOSA-N -1 0 341.407 3.951 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)[C@H](C)c2ccc(Cl)cc2)n1 ZINC000659183868 1037438456 /nfs/dbraw/zinc/43/84/56/1037438456.db2.gz ZLBSXNIPPFLLJC-RISCZKNCSA-N -1 0 349.818 3.705 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)C[C@H](C)c2ccccc2C)n1 ZINC000659186483 1037448696 /nfs/dbraw/zinc/44/86/96/1037448696.db2.gz IMXRNTNZTKZBOG-HOCLYGCPSA-N -1 0 343.427 3.750 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2cc3cccc(C)c3o2)n1 ZINC000659186809 1037449575 /nfs/dbraw/zinc/44/95/75/1037449575.db2.gz KIDMAMZJFYMKOG-CYBMUJFWSA-N -1 0 341.367 3.616 20 0 EHADRM CCOc1ccc([C@@H](N=c2nc(C)[n-]s2)C(C)C)cc1OCC ZINC000539995540 1037454093 /nfs/dbraw/zinc/45/40/93/1037454093.db2.gz WTXOUCFBFPNQDO-INIZCTEOSA-N -1 0 335.473 3.875 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)[C@H](C)c2cccc(Cl)c2)n1 ZINC000659188892 1037454114 /nfs/dbraw/zinc/45/41/14/1037454114.db2.gz WPYVSRBQSPOTHS-BXUZGUMPSA-N -1 0 349.818 3.705 20 0 EHADRM Cc1ccc(CCC(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)c(C)c1 ZINC000659196730 1037454909 /nfs/dbraw/zinc/45/49/09/1037454909.db2.gz XTKNQPVWXKHYSG-CEXWTWQISA-N -1 0 343.467 3.728 20 0 EHADRM CC(C)Oc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)cc1 ZINC000659195217 1037465377 /nfs/dbraw/zinc/46/53/77/1037465377.db2.gz OJEXGOZQKYXFTE-FGTMMUONSA-N -1 0 345.439 3.579 20 0 EHADRM O=C([O-])C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)C1CC1 ZINC000659209967 1037480871 /nfs/dbraw/zinc/48/08/71/1037480871.db2.gz PWRSDXDEGVEYTE-GUDVDZBRSA-N -1 0 337.419 3.560 20 0 EHADRM CCOC(=O)c1ccc(NC(=O)C2(c3cccc(C)c3)CC2)c(O)c1 ZINC000540026008 1037486527 /nfs/dbraw/zinc/48/65/27/1037486527.db2.gz SQHBFYLWPXRHBZ-UHFFFAOYSA-N -1 0 339.391 3.548 20 0 EHADRM C[C@](CCF)(NC(=O)c1ccc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC000659214295 1037488897 /nfs/dbraw/zinc/48/88/97/1037488897.db2.gz WTUIQWMRUYWYRC-MRXNPFEDSA-N -1 0 339.750 3.533 20 0 EHADRM C[C@@](CCF)(NC(=O)Cc1ccc(C2CCCCC2)cc1)C(=O)[O-] ZINC000659214876 1037498498 /nfs/dbraw/zinc/49/84/98/1037498498.db2.gz OFYNQBBTISQWEW-IBGZPJMESA-N -1 0 335.419 3.596 20 0 EHADRM C[C@@H](CC(=O)N[C@](C)(CCF)C(=O)[O-])c1ccccc1C(F)(F)F ZINC000659217416 1037498699 /nfs/dbraw/zinc/49/86/99/1037498699.db2.gz ZZIJPDGLEZWSCG-ZUZCIYMTSA-N -1 0 349.324 3.518 20 0 EHADRM CCCCCNC(=O)C(C#N)=C([O-])c1oc2c(c1C)c(C)ccc2C ZINC000148980268 1037520300 /nfs/dbraw/zinc/52/03/00/1037520300.db2.gz GXSFXMBKYQDZMT-OAHLLOKOSA-N -1 0 340.423 3.987 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)N[C@@H]1CCC[C@]1(C)C(=O)[O-] ZINC000659233193 1037558270 /nfs/dbraw/zinc/55/82/70/1037558270.db2.gz AHHHPNNXPSNEKC-WNMQOVRZSA-N -1 0 341.860 3.580 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)N[C@@H]1CCC[C@]1(C)C(=O)[O-] ZINC000659240158 1037559246 /nfs/dbraw/zinc/55/92/46/1037559246.db2.gz QFXGIXQQOBVPOA-KDOFPFPSSA-N -1 0 337.847 3.668 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)[C@@H]1CCCC(C)(C)C1 ZINC000573482380 1037581398 /nfs/dbraw/zinc/58/13/98/1037581398.db2.gz CSKHWEOGOWNDQG-CYBMUJFWSA-N -1 0 328.416 3.641 20 0 EHADRM C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)[N-]OCc1cccnc1 ZINC000152719828 1037589516 /nfs/dbraw/zinc/58/95/16/1037589516.db2.gz HIKDSHFZSQBHLC-INIZCTEOSA-N -1 0 348.402 3.764 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)N1CCCCC[C@@H]1c1ccccc1 ZINC000532561866 1037645737 /nfs/dbraw/zinc/64/57/37/1037645737.db2.gz MSRXYAPIDMOLCK-GOSISDBHSA-N -1 0 336.439 3.925 20 0 EHADRM Cn1ccnc1-c1cccc([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000108639091 1037649835 /nfs/dbraw/zinc/64/98/35/1037649835.db2.gz FALFNSUXNFIXBI-UHFFFAOYSA-N -1 0 347.827 3.541 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(Cl)c2)o1 ZINC000540211729 1037694970 /nfs/dbraw/zinc/69/49/70/1037694970.db2.gz VLDRDSUYLGRJMH-UHFFFAOYSA-N -1 0 329.805 3.829 20 0 EHADRM CCc1c([N-]S(=O)(=O)c2ccccc2C)cnn1CCC(C)C ZINC000491833464 1037704599 /nfs/dbraw/zinc/70/45/99/1037704599.db2.gz VRIBJVPCAIHONZ-UHFFFAOYSA-N -1 0 335.473 3.601 20 0 EHADRM C[C@@H](CN=c1nc(-c2ccccc2)[n-]s1)Oc1ccccc1F ZINC000463075067 1037741729 /nfs/dbraw/zinc/74/17/29/1037741729.db2.gz MPOJVXDYGHQWIU-LBPRGKRZSA-N -1 0 329.400 3.646 20 0 EHADRM COc1cc(-c2cccc(C3(C(=O)[O-])CC3)c2)cnc1C(F)(F)F ZINC000573863009 1037791042 /nfs/dbraw/zinc/79/10/42/1037791042.db2.gz FRSNRMFWTZCVNR-UHFFFAOYSA-N -1 0 337.297 3.892 20 0 EHADRM CC(C)C[C@H](C(=O)[O-])[S@@](=O)[C@H](C)c1ccc(Br)cc1 ZINC000573897413 1037795074 /nfs/dbraw/zinc/79/50/74/1037795074.db2.gz ITARAGNISQRCIX-FTNGCUSPSA-N -1 0 347.274 3.758 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)/C=C/c1nc2ccccc2o1 ZINC000491973517 1037835222 /nfs/dbraw/zinc/83/52/22/1037835222.db2.gz QNMGKPQHEZIPAT-BQYQJAHWSA-N -1 0 336.347 3.795 20 0 EHADRM C[C@@H](NC(=O)c1cc(Cl)cc(Br)c1[O-])c1ccc[nH]1 ZINC000760958753 1037891000 /nfs/dbraw/zinc/89/10/00/1037891000.db2.gz MRQBGRPBCSLRRY-SSDOTTSWSA-N -1 0 343.608 3.627 20 0 EHADRM CCC[C@@](C)(NC(=O)N[C@H](CC)c1ccc(Cl)s1)C(=O)[O-] ZINC000780575069 1037930133 /nfs/dbraw/zinc/93/01/33/1037930133.db2.gz LKEXOLRWINYLJD-YMTOWFKASA-N -1 0 332.853 3.795 20 0 EHADRM CCN(C(=O)CC(C)(C)C(=O)[O-])[C@H](Cc1ccc(F)cc1)C(C)C ZINC000573955276 1037976429 /nfs/dbraw/zinc/97/64/29/1037976429.db2.gz OKQHYCLRELOUCY-MRXNPFEDSA-N -1 0 337.435 3.742 20 0 EHADRM CCN(CCC(F)(F)F)C(=O)c1cccc(Br)c1[O-] ZINC000592452540 1037984882 /nfs/dbraw/zinc/98/48/82/1037984882.db2.gz NSANLEVRKNEZNM-UHFFFAOYSA-N -1 0 340.139 3.569 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-]c2nc(C(C)C)cs2)cc1F ZINC000184190085 1038015656 /nfs/dbraw/zinc/01/56/56/1038015656.db2.gz JOMBURMEDTVEAB-UHFFFAOYSA-N -1 0 328.434 3.656 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)CC[C@H]1C(=O)[O-] ZINC000327667822 1038019412 /nfs/dbraw/zinc/01/94/12/1038019412.db2.gz JJJDHDIHMYXXED-RDTXWAMCSA-N -1 0 338.407 3.928 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)/C=C\c2sc3ccccc3c2Cl)C1 ZINC000492181753 1038069609 /nfs/dbraw/zinc/06/96/09/1038069609.db2.gz MFFNCXDUAALUFY-WWQCOOJYSA-N -1 0 335.812 3.501 20 0 EHADRM CC(C)(C(=O)NCC1(C(=O)[O-])CCCCC1)c1ccc(Cl)cc1 ZINC000431858794 1038246201 /nfs/dbraw/zinc/24/62/01/1038246201.db2.gz DTBRRPMYZUGJNQ-UHFFFAOYSA-N -1 0 337.847 3.769 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(F)cc(Br)c2[O-])C(C)(C)C1 ZINC000416171699 1038270024 /nfs/dbraw/zinc/27/00/24/1038270024.db2.gz RPPWODMCARELHV-QMMMGPOBSA-N -1 0 330.197 3.554 20 0 EHADRM CC[C@@H]1[C@H](C)CCN1C(=O)c1cc(F)cc(Br)c1[O-] ZINC000416210027 1038339543 /nfs/dbraw/zinc/33/95/43/1038339543.db2.gz NWXNNETUHKQKKN-PRHODGIISA-N -1 0 330.197 3.554 20 0 EHADRM Cc1c2ccc([N-]S(=O)(=O)c3cc(C)ccc3Cl)cc2nn1C ZINC000461344219 1038341663 /nfs/dbraw/zinc/34/16/63/1038341663.db2.gz SDUFUHSJELBDDC-UHFFFAOYSA-N -1 0 349.843 3.644 20 0 EHADRM COc1ccc(CCc2n[n-]c(=NCc3cc(C)cc(C)c3)o2)cc1 ZINC000538506583 1038347211 /nfs/dbraw/zinc/34/72/11/1038347211.db2.gz IYCKTGHIDFKEAV-UHFFFAOYSA-N -1 0 337.423 3.514 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000538579470 1038401141 /nfs/dbraw/zinc/40/11/41/1038401141.db2.gz ZSBPCVYMECQHDC-CQSZACIVSA-N -1 0 335.419 3.546 20 0 EHADRM C[C@H]1[C@@H](C(=O)Nc2cc(Cl)cc(Br)c2[O-])C1(F)F ZINC000461446537 1038429019 /nfs/dbraw/zinc/42/90/19/1038429019.db2.gz JYGFPZVIMNZTQI-NVNXEXLPSA-N -1 0 340.551 3.648 20 0 EHADRM O=C(Nc1ccc(-c2cc(=O)[nH][nH]2)cc1)c1cccc2cccnc21 ZINC000339136624 1038425808 /nfs/dbraw/zinc/42/58/08/1038425808.db2.gz XRFRNIHJSJYDLW-UHFFFAOYSA-N -1 0 330.347 3.583 20 0 EHADRM CCCCc1n[n-]c(=NCc2cc(OC)ccc2OC(F)F)s1 ZINC000538608306 1038433520 /nfs/dbraw/zinc/43/35/20/1038433520.db2.gz JNUMGHSKIQRRGJ-UHFFFAOYSA-N -1 0 343.399 3.525 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccccc2)cnn1-c1cc(C)ccc1C ZINC000161794107 1038555347 /nfs/dbraw/zinc/55/53/47/1038555347.db2.gz UMWLYIUGTPOXGH-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM CC[C@@H]1CC[C@@H](C(=O)Nc2c(O)cc(Br)cc2Cl)O1 ZINC000552026179 1038605962 /nfs/dbraw/zinc/60/59/62/1038605962.db2.gz AAUZANBSLDWPLG-KCJUWKMLSA-N -1 0 348.624 3.704 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000431882245 1038723411 /nfs/dbraw/zinc/72/34/11/1038723411.db2.gz LFIPJHIZVNTMFE-KRWDZBQOSA-N -1 0 331.456 3.653 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000910243601 1038784628 /nfs/dbraw/zinc/78/46/28/1038784628.db2.gz MFKOWGJXFZGSDV-GFCCVEGCSA-N -1 0 333.771 3.569 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000910243602 1038785443 /nfs/dbraw/zinc/78/54/43/1038785443.db2.gz MFKOWGJXFZGSDV-LBPRGKRZSA-N -1 0 333.771 3.569 20 0 EHADRM CC[C@H](c1ccccc1OC)N(C)C(=O)c1oc(C(=O)[O-])cc1C ZINC000910251423 1038788379 /nfs/dbraw/zinc/78/83/79/1038788379.db2.gz SKEJOLDXDLUUQH-CYBMUJFWSA-N -1 0 331.368 3.518 20 0 EHADRM Fc1cccc(Cc2n[n-]c(=NCc3ccc(F)cc3Cl)o2)c1 ZINC000554014535 1038803156 /nfs/dbraw/zinc/80/31/56/1038803156.db2.gz XPOFVCDTSNTHDS-UHFFFAOYSA-N -1 0 335.741 3.626 20 0 EHADRM CC[C@H](C[N-]S(=O)(=O)c1sccc1Cl)CC(F)(F)F ZINC000416598403 1038835418 /nfs/dbraw/zinc/83/54/18/1038835418.db2.gz OXWSSCOPPNTGDE-ZETCQYMHSA-N -1 0 335.800 3.658 20 0 EHADRM Cc1nc(C2CCN(C(=O)/C=C3\CC[C@H](C)C3)CC2)sc1C(=O)[O-] ZINC000910358068 1038852360 /nfs/dbraw/zinc/85/23/60/1038852360.db2.gz QDCHLKRVZKRBFF-CDDSVFCYSA-N -1 0 348.468 3.602 20 0 EHADRM CC(C)(CC(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21)CC(F)(F)F ZINC000910360707 1038857513 /nfs/dbraw/zinc/85/75/13/1038857513.db2.gz IYSCVKDMVSVTOL-LLVKDONJSA-N -1 0 343.345 3.960 20 0 EHADRM Cc1cc(C)c(CC(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)s1 ZINC000910361050 1038858405 /nfs/dbraw/zinc/85/84/05/1038858405.db2.gz QAWPYXJUEZZJJV-ZDUSSCGKSA-N -1 0 329.421 3.513 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)cc1C ZINC000539399128 1038893553 /nfs/dbraw/zinc/89/35/53/1038893553.db2.gz PNSZYWWMSKOCKK-GFCCVEGCSA-N -1 0 339.436 3.719 20 0 EHADRM Cc1ccc([C@@H]2CCN(C(=O)c3csc(C(=O)[O-])n3)C2(C)C)cc1 ZINC000910411465 1038900440 /nfs/dbraw/zinc/90/04/40/1038900440.db2.gz GSXHETGTVQVQQP-ZDUSSCGKSA-N -1 0 344.436 3.558 20 0 EHADRM CCSc1ccc(CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1 ZINC000910407769 1038910786 /nfs/dbraw/zinc/91/07/86/1038910786.db2.gz FNLOTFKJQKZTEG-UHFFFAOYSA-N -1 0 347.480 3.840 20 0 EHADRM C[C@@H]1CCC[C@H](C)N(C(=O)N=c2[n-]nc(-c3ccccc3)s2)C1 ZINC000479944622 1038921993 /nfs/dbraw/zinc/92/19/93/1038921993.db2.gz BTMKZGMSPOBFJN-OLZOCXBDSA-N -1 0 330.457 3.669 20 0 EHADRM CC[C@@H](C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccc(F)cc1 ZINC000910471223 1038929067 /nfs/dbraw/zinc/92/90/67/1038929067.db2.gz DJQYQDHGQBHJSU-FHLIZLRMSA-N -1 0 341.382 3.749 20 0 EHADRM Clc1ccc(OCC2CC2)c(CN=c2[n-]nc(-c3ccco3)o2)c1 ZINC000485357973 1038950728 /nfs/dbraw/zinc/95/07/28/1038950728.db2.gz MPYUUTWGIRYYAS-UHFFFAOYSA-N -1 0 345.786 3.806 20 0 EHADRM Clc1cc(Cl)cc(CN=c2[n-]nc(-c3ccccn3)s2)c1 ZINC000432735552 1038959869 /nfs/dbraw/zinc/95/98/69/1038959869.db2.gz LKPCVRSVXWUUID-UHFFFAOYSA-N -1 0 337.235 3.941 20 0 EHADRM COc1cc(C)c([C@H](C)/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1OC ZINC000044009692 1038970424 /nfs/dbraw/zinc/97/04/24/1038970424.db2.gz SNSARWIOMNSNOH-NJDFMEINSA-N -1 0 344.367 3.806 20 0 EHADRM COCc1c2ccccc2oc1C(=O)N[C@@H](CCCC(C)C)C(=O)[O-] ZINC000910574053 1038972017 /nfs/dbraw/zinc/97/20/17/1038972017.db2.gz DHFYFMNOWSMTTP-HNNXBMFYSA-N -1 0 347.411 3.589 20 0 EHADRM C[C@@H](CC(=O)N[C@H](CC(=O)[O-])C1CCCC1)c1c[nH]c2ccccc21 ZINC000910559678 1038977641 /nfs/dbraw/zinc/97/76/41/1038977641.db2.gz LJFFSRDEXIXMTC-SCLBCKFNSA-N -1 0 342.439 3.811 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1oc(SC)cc1C ZINC000910624456 1038991208 /nfs/dbraw/zinc/99/12/08/1038991208.db2.gz QWDJLHQONVGUCZ-UHFFFAOYSA-N -1 0 335.381 3.659 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)C[C@@H]1CCO[C@H](C(C)C)C1 ZINC000910623044 1038991910 /nfs/dbraw/zinc/99/19/10/1038991910.db2.gz ZSDXLPYULRCODN-CJNGLKHVSA-N -1 0 349.427 3.563 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(SCc2ccccc2)cn1 ZINC000910649767 1039001863 /nfs/dbraw/zinc/00/18/63/1039001863.db2.gz YOFHKTUUGKTOJC-ZDUSSCGKSA-N -1 0 344.436 3.813 20 0 EHADRM Cc1oc([C@H](C)N2CCO[C@H](c3ccc(F)c(C)c3)C2)cc1C(=O)[O-] ZINC000567173293 1039004368 /nfs/dbraw/zinc/00/43/68/1039004368.db2.gz UJBXBQZSTZVOAK-SGTLLEGYSA-N -1 0 347.386 3.868 20 0 EHADRM CCCCn1ncc(NC(=O)c2ccc(C(=O)[O-])cc2F)c1C(C)C ZINC000910656247 1039004627 /nfs/dbraw/zinc/00/46/27/1039004627.db2.gz JROTXQJPVZXVLB-UHFFFAOYSA-N -1 0 347.390 3.896 20 0 EHADRM COc1cccc(CNc2cc(C(=O)[O-])ccc2OC(C)C)c1OC ZINC000485401084 1039012047 /nfs/dbraw/zinc/01/20/47/1039012047.db2.gz GAVXIUDTXGSFIB-UHFFFAOYSA-N -1 0 345.395 3.801 20 0 EHADRM Cc1cn(C2CCCCC2)nc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000910647929 1039015728 /nfs/dbraw/zinc/01/57/28/1039015728.db2.gz MMEQXZYAZWADBR-CABCVRRESA-N -1 0 333.432 3.526 20 0 EHADRM CCSCc1cccnc1NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000910683907 1039020342 /nfs/dbraw/zinc/02/03/42/1039020342.db2.gz IYAUYFQHWGOFHK-UHFFFAOYSA-N -1 0 336.457 3.554 20 0 EHADRM CC(C)c1sc(NC(=O)[C@H]2Cc3ccccc3S2)nc1C(=O)[O-] ZINC000910696472 1039024817 /nfs/dbraw/zinc/02/48/17/1039024817.db2.gz FPOZOKAZEVBPMK-LLVKDONJSA-N -1 0 348.449 3.620 20 0 EHADRM CC(C)c1sc(NC(=O)C2(Cc3ccccc3)CC2)nc1C(=O)[O-] ZINC000910697247 1039024978 /nfs/dbraw/zinc/02/49/78/1039024978.db2.gz OAKUQUNEHRICHI-UHFFFAOYSA-N -1 0 344.436 3.926 20 0 EHADRM O=S(=O)([N-]c1ccccc1)c1cc(Cl)ccc1Br ZINC000485394042 1039025352 /nfs/dbraw/zinc/02/53/52/1039025352.db2.gz SEXSAKNQYHHLST-UHFFFAOYSA-N -1 0 346.633 3.903 20 0 EHADRM O=C([O-])c1cc(NCc2ccc(F)nc2)ccc1N1CCCCC1 ZINC000905717856 1039049336 /nfs/dbraw/zinc/04/93/36/1039049336.db2.gz FSNSCCAZWWASCJ-UHFFFAOYSA-N -1 0 329.375 3.521 20 0 EHADRM CCOC(=O)c1coc(/C=C/c2nc3ccc(C(=O)[O-])cc3s2)c1 ZINC000480031132 1039057644 /nfs/dbraw/zinc/05/76/44/1039057644.db2.gz UJSKGUXLSNLCNM-GQCTYLIASA-N -1 0 343.360 3.935 20 0 EHADRM C[C@@H](CC(=O)NCC(C)(C)CC(=O)[O-])c1ccccc1C(F)(F)F ZINC000910821048 1039097603 /nfs/dbraw/zinc/09/76/03/1039097603.db2.gz MNSMAMUJWLKAJA-NSHDSACASA-N -1 0 345.361 3.816 20 0 EHADRM Cc1cccc([C@H]([N-]S(=O)(=O)Cc2ccccc2)C(F)(F)F)c1 ZINC000512431610 1039108494 /nfs/dbraw/zinc/10/84/94/1039108494.db2.gz HQZIJARZHVJGKP-HNNXBMFYSA-N -1 0 343.370 3.718 20 0 EHADRM C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(CC(=O)[O-])c1 ZINC000910934765 1039143577 /nfs/dbraw/zinc/14/35/77/1039143577.db2.gz BJHLMQQIUSSADM-KXBFYZLASA-N -1 0 337.419 3.722 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2Cl)CC1 ZINC000554282789 1039157416 /nfs/dbraw/zinc/15/74/16/1039157416.db2.gz KUHOWFVQSGDQAX-CABCVRRESA-N -1 0 335.831 3.547 20 0 EHADRM O=C([O-])c1ccc2[nH]cc(C3CCN(C(=O)/C=C/C4CC4)CC3)c2c1 ZINC000910956854 1039157576 /nfs/dbraw/zinc/15/75/76/1039157576.db2.gz HCXUBMYKIQCLNT-ZZXKWVIFSA-N -1 0 338.407 3.538 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cnn(CCC(C)C)c1C ZINC000910959655 1039160164 /nfs/dbraw/zinc/16/01/64/1039160164.db2.gz UHMGKUDTSAADQO-UHFFFAOYSA-N -1 0 343.427 3.751 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)Cc1c(C)nn(C(C)C)c1C ZINC000910960144 1039160559 /nfs/dbraw/zinc/16/05/59/1039160559.db2.gz XQSCCOODOHLCRV-UHFFFAOYSA-N -1 0 343.427 3.523 20 0 EHADRM CCCc1nc(C)c(C(=O)Nc2ccc(C(=O)[O-])cc2CC)s1 ZINC000910963292 1039163300 /nfs/dbraw/zinc/16/33/00/1039163300.db2.gz WARUXRMGRMAALZ-UHFFFAOYSA-N -1 0 332.425 3.917 20 0 EHADRM O=C([O-])C1(C(F)(F)F)CCN(C(=O)/C=C/C2CCCCCC2)CC1 ZINC000911021422 1039188574 /nfs/dbraw/zinc/18/85/74/1039188574.db2.gz PLCYCLSVUMLZGO-BQYQJAHWSA-N -1 0 347.377 3.769 20 0 EHADRM CC(C)c1cccc(C(=O)N2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)c1 ZINC000911047332 1039211683 /nfs/dbraw/zinc/21/16/83/1039211683.db2.gz MLNFVVYJROIZRI-CQSZACIVSA-N -1 0 344.436 3.594 20 0 EHADRM CC[C@H](CC(=O)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1)C(C)(C)C ZINC000911047714 1039212993 /nfs/dbraw/zinc/21/29/93/1039212993.db2.gz VIRPFYIMNIOKLL-NWDGAFQWSA-N -1 0 338.473 3.620 20 0 EHADRM Cc1cc(NC(=O)c2nc(C(C)C)ncc2Cl)cc(C(=O)[O-])c1 ZINC000911071015 1039223797 /nfs/dbraw/zinc/22/37/97/1039223797.db2.gz OKNFYGHCKFYUHQ-UHFFFAOYSA-N -1 0 333.775 3.512 20 0 EHADRM CC(C)c1cccc(CNC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000478156153 1039257949 /nfs/dbraw/zinc/25/79/49/1039257949.db2.gz YFNRUBFSGDYXRI-NRFANRHFSA-N -1 0 339.435 3.859 20 0 EHADRM CC[C@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])CC1 ZINC000668861968 1039284157 /nfs/dbraw/zinc/28/41/57/1039284157.db2.gz DYXNXIOHSQLZMY-LBPRGKRZSA-N -1 0 349.381 3.508 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1ccc(N(C)C(C)C)c(F)c1 ZINC000911226056 1039303871 /nfs/dbraw/zinc/30/38/71/1039303871.db2.gz DEGDVSWCFYBSNY-UHFFFAOYSA-N -1 0 334.347 3.522 20 0 EHADRM CCc1c([N-]S(=O)(=O)c2cccc(F)c2)cnn1C(CC)CC ZINC000480253068 1039339929 /nfs/dbraw/zinc/33/99/29/1039339929.db2.gz VMKLCGYPFWOOCN-UHFFFAOYSA-N -1 0 339.436 3.747 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)Nc2cccc(NC3CCCC3)c2)o1 ZINC000911367869 1039342997 /nfs/dbraw/zinc/34/29/97/1039342997.db2.gz ZZFSXHJSMGIBJE-LUAWRHEFSA-N -1 0 340.379 3.984 20 0 EHADRM O=C([O-])C1CCC(CC(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000911390762 1039343154 /nfs/dbraw/zinc/34/31/54/1039343154.db2.gz SLRFSCFOTAJYRV-YIOUJQMASA-N -1 0 349.393 3.752 20 0 EHADRM O=C([O-])c1cnc(N2CCC[C@@H]2c2ccccc2C(F)(F)F)nc1 ZINC000906151612 1039345639 /nfs/dbraw/zinc/34/56/39/1039345639.db2.gz FTFLTGJCORXBNN-CYBMUJFWSA-N -1 0 337.301 3.535 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)Nc1ccc(C)c(Oc2cc(C)ccn2)c1 ZINC000911416347 1039347115 /nfs/dbraw/zinc/34/71/15/1039347115.db2.gz KEDVVYUHPLECDK-AWEZNQCLSA-N -1 0 328.368 3.540 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000237518941 1039379302 /nfs/dbraw/zinc/37/93/02/1039379302.db2.gz GYVJLSARZZJMSU-KBXCAEBGSA-N -1 0 343.448 3.890 20 0 EHADRM C[C@H](N=c1nc(-c2ccccc2)[n-]s1)[C@H]1OCCc2sccc21 ZINC000488747508 1039381011 /nfs/dbraw/zinc/38/10/11/1039381011.db2.gz OIMAKKKTECKXBV-XHDPSFHLSA-N -1 0 343.477 3.803 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)CC[C@@H]3CCCCO3)ccc2s1 ZINC000238207337 1039397633 /nfs/dbraw/zinc/39/76/33/1039397633.db2.gz ILICTCOAOLJABW-ZDUSSCGKSA-N -1 0 333.409 3.887 20 0 EHADRM C[C@@](CC(=O)N1CCC[C@@H]1c1cccs1)(C(=O)[O-])c1ccccc1 ZINC000324365025 1039403032 /nfs/dbraw/zinc/40/30/32/1039403032.db2.gz JCXKMOAGPZJQGE-BEFAXECRSA-N -1 0 343.448 3.844 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@H]1c1ccc(F)cc1F ZINC000911547492 1039406514 /nfs/dbraw/zinc/40/65/14/1039406514.db2.gz YAQISEHBHAEROP-ZENOOKHLSA-N -1 0 337.366 3.519 20 0 EHADRM Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000911543029 1039406795 /nfs/dbraw/zinc/40/67/95/1039406795.db2.gz YEIFVJIQHLLCPX-DYEKYZERSA-N -1 0 343.345 3.606 20 0 EHADRM COc1nc(C(F)(F)F)ccc1-c1ccc([C@H](OC)C(=O)[O-])s1 ZINC000906247921 1039409518 /nfs/dbraw/zinc/40/95/18/1039409518.db2.gz AHXIYCOCLYXHIJ-NSHDSACASA-N -1 0 347.314 3.610 20 0 EHADRM O=C(N=c1[n-]nc(C2CC2)s1)N[C@@H](CC1CCC1)c1ccccc1 ZINC000554501375 1039411138 /nfs/dbraw/zinc/41/11/38/1039411138.db2.gz ZWYXQYPWAYPPQT-HNNXBMFYSA-N -1 0 342.468 3.890 20 0 EHADRM Cc1c(-c2cc(F)ccc2OC[C@H]2CCOC2)csc1C(=O)[O-] ZINC000906241918 1039427150 /nfs/dbraw/zinc/42/71/50/1039427150.db2.gz VBPKHXQXFSVOGG-NSHDSACASA-N -1 0 336.384 3.976 20 0 EHADRM CC(C)n1ncc2c1nc(/C=C\c1cccc3nccn31)cc2C(=O)[O-] ZINC000554518222 1039427573 /nfs/dbraw/zinc/42/75/73/1039427573.db2.gz URYLLWFPZWCOKR-SREVYHEPSA-N -1 0 347.378 3.529 20 0 EHADRM Cc1ccccc1CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000237714769 1039431235 /nfs/dbraw/zinc/43/12/35/1039431235.db2.gz CYBGNCXVBCXPLX-INIZCTEOSA-N -1 0 349.789 3.662 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cccc(C2CCCC2)c1)c1ccncc1 ZINC000911661339 1039443916 /nfs/dbraw/zinc/44/39/16/1039443916.db2.gz KZZRZWTWFQTNTF-GOSISDBHSA-N -1 0 338.407 3.685 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000911654622 1039450776 /nfs/dbraw/zinc/45/07/76/1039450776.db2.gz HITOOEQCVQNWBT-LBPRGKRZSA-N -1 0 343.345 3.508 20 0 EHADRM C[C@@H](NC(=O)NCCC(C)(C)C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000390087681 1039461742 /nfs/dbraw/zinc/46/17/42/1039461742.db2.gz UTJVCKPVLUINFO-SECBINFHSA-N -1 0 347.242 3.855 20 0 EHADRM CC(C)c1nc2cc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])ccc2o1 ZINC000324458199 1039486370 /nfs/dbraw/zinc/48/63/70/1039486370.db2.gz HZSQICNQVQGKOV-OLZOCXBDSA-N -1 0 330.384 3.781 20 0 EHADRM CC(C)Oc1c(NC(=O)c2occ3c2CCC3)cccc1C(=O)[O-] ZINC000911733539 1039490039 /nfs/dbraw/zinc/49/00/39/1039490039.db2.gz BZOSANSFPNDUJV-UHFFFAOYSA-N -1 0 329.352 3.506 20 0 EHADRM CC(C)Oc1c(NC(=O)C2CC3(CC3(F)F)C2)cccc1C(=O)[O-] ZINC000911733806 1039490299 /nfs/dbraw/zinc/49/02/99/1039490299.db2.gz JAKLPCUXXXRBRL-UHFFFAOYSA-N -1 0 339.338 3.546 20 0 EHADRM Cc1ccc2sc(CNC(=O)CC3(CC(=O)[O-])CCCC3)nc2c1 ZINC000911814881 1039511556 /nfs/dbraw/zinc/51/15/56/1039511556.db2.gz YSFJHSPJAPPSPH-UHFFFAOYSA-N -1 0 346.452 3.646 20 0 EHADRM FC(F)c1n[n-]c(=NCc2ccc(OC3CCCCC3)nc2)s1 ZINC000554676002 1039592441 /nfs/dbraw/zinc/59/24/41/1039592441.db2.gz WUYYICMJVJLIOD-UHFFFAOYSA-N -1 0 340.399 3.616 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@@H](C(=O)[O-])[C@H]2C)c(C)n1C1CCCCC1 ZINC000584714243 1039598250 /nfs/dbraw/zinc/59/82/50/1039598250.db2.gz DMVPGSNAQYDDIO-RHSMWYFYSA-N -1 0 346.471 3.935 20 0 EHADRM CC[C@@H](C)c1ncc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cn1 ZINC000478673915 1039611473 /nfs/dbraw/zinc/61/14/73/1039611473.db2.gz GDMZBEREYZVHDN-CYBMUJFWSA-N -1 0 333.457 3.914 20 0 EHADRM COc1c(NC(=O)CC[C@H]2CCc3ccccc32)cccc1C(=O)[O-] ZINC000906504032 1039620259 /nfs/dbraw/zinc/62/02/59/1039620259.db2.gz ZUXOEDHGNMWCFE-CQSZACIVSA-N -1 0 339.391 3.842 20 0 EHADRM Cc1cccc2cc(C(=O)N=c3ccc(C(F)(F)F)n[n-]3)sc21 ZINC000554736297 1039649876 /nfs/dbraw/zinc/64/98/76/1039649876.db2.gz DPXYFKMYPFIMAK-UHFFFAOYSA-N -1 0 337.326 3.693 20 0 EHADRM CCOc1cc(C(=O)Nc2cccc(CCC(=O)[O-])c2)ccc1C ZINC000467941214 1039703459 /nfs/dbraw/zinc/70/34/59/1039703459.db2.gz IULYFPSTVMCEFO-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM CNc1ccc(Cl)c(C(=O)N=c2nc(-c3ccccc3)[n-]s2)c1 ZINC000553021554 1039708512 /nfs/dbraw/zinc/70/85/12/1039708512.db2.gz RNXJSUNDXFGXMH-UHFFFAOYSA-N -1 0 344.827 3.574 20 0 EHADRM CC[C@H]1CCc2nc([N-]S(=O)(=O)c3cc(C)oc3C)sc2C1 ZINC000345080281 1039717663 /nfs/dbraw/zinc/71/76/63/1039717663.db2.gz VQAKULVDPBJORI-NSHDSACASA-N -1 0 340.470 3.669 20 0 EHADRM CCn1ncc(C(=O)Nc2cccc(O)c2F)c1-c1ccccc1 ZINC000567443270 1039726655 /nfs/dbraw/zinc/72/66/55/1039726655.db2.gz QTXIHPNKONBJIE-UHFFFAOYSA-N -1 0 325.343 3.667 20 0 EHADRM CC[C@H](Oc1ccccc1F)C(=O)Nc1cc(C)c(C)c(C(=O)[O-])c1 ZINC000485955319 1039736446 /nfs/dbraw/zinc/73/64/46/1039736446.db2.gz KIGBFUCYOIYVSA-INIZCTEOSA-N -1 0 345.370 3.937 20 0 EHADRM Fc1ccc([C@@H]2CC[C@H](N=c3[n-]nc(-c4ccccn4)s3)C2)cc1 ZINC000480591419 1039739915 /nfs/dbraw/zinc/73/99/15/1039739915.db2.gz SWIINOKRRSATRK-HIFRSBDPSA-N -1 0 340.427 3.909 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(C(=O)C2CCC2)cc1 ZINC000486085511 1039862231 /nfs/dbraw/zinc/86/22/31/1039862231.db2.gz ZXOMRRTXVDCSOD-UHFFFAOYSA-N -1 0 347.411 3.918 20 0 EHADRM CCOc1ccc(CN=c2[n-]nc(C(F)(F)F)s2)cc1Cl ZINC000553255818 1039918388 /nfs/dbraw/zinc/91/83/88/1039918388.db2.gz GKJKDFKRKMBELV-UHFFFAOYSA-N -1 0 337.754 3.643 20 0 EHADRM C[C@@H](OCc1ccccc1)C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000163612825 1039936791 /nfs/dbraw/zinc/93/67/91/1039936791.db2.gz WHSGCWHVDBRTMC-LLVKDONJSA-N -1 0 328.393 3.660 20 0 EHADRM CC(C)(C)c1cnc(CN[C@@H](CCc2ccccc2)C(=O)[O-])s1 ZINC000417556716 1039998010 /nfs/dbraw/zinc/99/80/10/1039998010.db2.gz PRZALGANRNQMTE-AWEZNQCLSA-N -1 0 332.469 3.616 20 0 EHADRM C[C@@H]1C[C@H](Sc2n[n-]c(=NC3CCCCC3)s2)C[C@H](C)O1 ZINC000554970533 1040014498 /nfs/dbraw/zinc/01/44/98/1040014498.db2.gz FGMGRUGZGYCPMW-PJXYFTJBSA-N -1 0 327.519 3.753 20 0 EHADRM CCCc1csc(CN[C@@H](CCCc2ccccc2)C(=O)[O-])n1 ZINC000417566615 1040015374 /nfs/dbraw/zinc/01/53/74/1040015374.db2.gz IQYQFFOOESLYCF-INIZCTEOSA-N -1 0 332.469 3.661 20 0 EHADRM COc1cc(CNc2ccc(CCCC(=O)[O-])cc2)cc(OC)c1 ZINC000417581195 1040031205 /nfs/dbraw/zinc/03/12/05/1040031205.db2.gz FJVYXJSOFUKTEW-UHFFFAOYSA-N -1 0 329.396 3.723 20 0 EHADRM [O-]C(=Cc1cccc(Cl)c1F)Nc1nc(-c2ccccc2)ns1 ZINC000554981036 1040032088 /nfs/dbraw/zinc/03/20/88/1040032088.db2.gz LVVUTPMEHCRYSE-UHFFFAOYSA-N -1 0 347.802 3.601 20 0 EHADRM Cc1csc(CN[C@@]2(C(=O)[O-])C[C@@H](C(C)C)c3ccccc32)n1 ZINC000417588229 1040041650 /nfs/dbraw/zinc/04/16/50/1040041650.db2.gz OUDGLJXWXJUULC-KSSFIOAISA-N -1 0 330.453 3.665 20 0 EHADRM CCc1ccc([C@@H](NCc2ncc(C(F)(F)F)s2)C(=O)[O-])cc1 ZINC000417592707 1040044126 /nfs/dbraw/zinc/04/41/26/1040044126.db2.gz YXWOMZIYPDBENA-CYBMUJFWSA-N -1 0 344.358 3.640 20 0 EHADRM CCOC[C@H]([NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1)C(=O)[O-] ZINC000417606539 1040058331 /nfs/dbraw/zinc/05/83/31/1040058331.db2.gz KFIVADCAKPNADN-AWEZNQCLSA-N -1 0 339.844 3.648 20 0 EHADRM COCCOc1ccc(CNc2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC000417621836 1040073192 /nfs/dbraw/zinc/07/31/92/1040073192.db2.gz GJMRXAWHHOMNHE-UHFFFAOYSA-N -1 0 343.423 3.686 20 0 EHADRM CC[C@H](Cc1ccc(NCc2ccc3c(c2)CCO3)cc1)C(=O)[O-] ZINC000417611540 1040082002 /nfs/dbraw/zinc/08/20/02/1040082002.db2.gz PFHVMSFGSSKXIX-MRXNPFEDSA-N -1 0 325.408 3.887 20 0 EHADRM COCCOc1ccccc1CNc1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000417615224 1040086184 /nfs/dbraw/zinc/08/61/84/1040086184.db2.gz WZYKOEURLOJPTC-HNNXBMFYSA-N -1 0 343.423 3.902 20 0 EHADRM CCOC[C@@H](NCc1ccc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)[O-] ZINC000417645309 1040109753 /nfs/dbraw/zinc/10/97/53/1040109753.db2.gz CYBVGRSQXKPMHF-QGZVFWFLSA-N -1 0 345.439 3.823 20 0 EHADRM FC(F)(F)c1nc(=N[C@@H](C[C@@H]2CCOC2)c2ccccc2)s[n-]1 ZINC000553505556 1040132663 /nfs/dbraw/zinc/13/26/63/1040132663.db2.gz ZGTAHWSPHMPMPB-JQWIXIFHSA-N -1 0 343.374 3.559 20 0 EHADRM Cc1cccc(Cl)c1CC(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000489716768 1040150799 /nfs/dbraw/zinc/15/07/99/1040150799.db2.gz BJVYLJTWILBRDK-UHFFFAOYSA-N -1 0 337.810 3.709 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)/C=C(/C)c1ccccc1C(F)(F)F ZINC000236919090 1040176017 /nfs/dbraw/zinc/17/60/17/1040176017.db2.gz SRVMVBITVYYGJW-MMRAYRKESA-N -1 0 343.345 3.820 20 0 EHADRM COCC[C@H](N=c1nc(C)[n-]s1)c1ccc(Cl)c(Cl)c1 ZINC000553559154 1040179809 /nfs/dbraw/zinc/17/98/09/1040179809.db2.gz FKPODZQBOQBPLI-LBPRGKRZSA-N -1 0 332.256 3.765 20 0 EHADRM CCSc1ccc(Cl)cc1[N-]S(=O)(=O)C[C@H](OC)C1CC1 ZINC000575401331 1040180950 /nfs/dbraw/zinc/18/09/50/1040180950.db2.gz UGFJDMPPYSCOLU-ZDUSSCGKSA-N -1 0 349.905 3.619 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)CC(C)(C)C(F)(F)F)s[n-]1 ZINC000480951242 1040194770 /nfs/dbraw/zinc/19/47/70/1040194770.db2.gz JCIDVAOEQALHGY-UHFFFAOYSA-N -1 0 349.403 3.914 20 0 EHADRM CC(C)(C)c1nc(=NC[C@H]2CCCN(c3ccccc3)C2)s[n-]1 ZINC000432935215 1040217238 /nfs/dbraw/zinc/21/72/38/1040217238.db2.gz ZRBWMOGQGDGFKC-CQSZACIVSA-N -1 0 330.501 3.586 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)Nc2cccc3c2OCCC3)c1 ZINC000417762736 1040222397 /nfs/dbraw/zinc/22/23/97/1040222397.db2.gz LZRUIKZJHNDLGV-UHFFFAOYSA-N -1 0 340.379 3.673 20 0 EHADRM CCc1nc(NC(=O)NCCCCCC(=O)[O-])sc1C(C)(C)C ZINC000417797381 1040229405 /nfs/dbraw/zinc/22/94/05/1040229405.db2.gz UEQPFMCMNQCLRZ-UHFFFAOYSA-N -1 0 341.477 3.770 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)c3sc4ccccc4c3Cl)[C@@H]2C1 ZINC000907923222 1040231356 /nfs/dbraw/zinc/23/13/56/1040231356.db2.gz DDRXPCJPCAJNHM-IQIPOGNMSA-N -1 0 349.839 3.784 20 0 EHADRM CCC(CC)(CC(=O)N(C)[C@H](C)c1cc(F)ccc1F)C(=O)[O-] ZINC000321675496 1040233483 /nfs/dbraw/zinc/23/34/83/1040233483.db2.gz VHFPIJLMPGMZRE-LLVKDONJSA-N -1 0 327.371 3.765 20 0 EHADRM C[C@]12CC3CC(C(=O)N[C@@H]4C[C@@H]5C[C@H](C(=O)[O-])C[C@H]45)(C1)C[C@@](C)(C3)C2 ZINC000907936904 1040236776 /nfs/dbraw/zinc/23/67/76/1040236776.db2.gz WQIAKTOISMYESX-ACFMIKMISA-N -1 0 345.483 3.599 20 0 EHADRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)c3cc4c(ccc5ccccc45)o3)[C@@H]2C1 ZINC000907951658 1040244567 /nfs/dbraw/zinc/24/45/67/1040244567.db2.gz FRONWZKPFMBHHL-CXUGXGMPSA-N -1 0 349.386 3.815 20 0 EHADRM Cc1oc(C(C)(C)C)cc1C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000899295363 1040275971 /nfs/dbraw/zinc/27/59/71/1040275971.db2.gz LMCCIGSMLYQCMK-UHFFFAOYSA-N -1 0 333.359 3.904 20 0 EHADRM Cc1cc(C(=O)N(C)c2cccc(CC(=O)[O-])c2)c(C(F)(F)F)o1 ZINC000908086757 1040282429 /nfs/dbraw/zinc/28/24/29/1040282429.db2.gz ZGNXYWNVOGCASP-UHFFFAOYSA-N -1 0 341.285 3.511 20 0 EHADRM CCCCOc1ccc(C(=O)N(C)c2cccc(CC(=O)[O-])c2)cc1 ZINC000908072594 1040286916 /nfs/dbraw/zinc/28/69/16/1040286916.db2.gz CDOKHNRIKOHGTO-UHFFFAOYSA-N -1 0 341.407 3.769 20 0 EHADRM CCOc1ccc(S(=O)(=O)C(C)=C([O-])c2ccc(CC)cc2)cc1 ZINC000486623842 1040293380 /nfs/dbraw/zinc/29/33/80/1040293380.db2.gz DRVOAIQSJQZGBY-AWEZNQCLSA-N -1 0 346.448 3.693 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)CC1CCC(C(=O)[O-])CC1)C(C)(C)C ZINC000908121153 1040297376 /nfs/dbraw/zinc/29/73/76/1040297376.db2.gz XSFUPSCQEAQPAB-JTTJXQCZSA-N -1 0 346.471 3.875 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Nc1c(F)cc(Cl)cc1F ZINC000899312528 1040314043 /nfs/dbraw/zinc/31/40/43/1040314043.db2.gz ZAGOCOLNWSDWLP-JTQLQIEISA-N -1 0 346.761 3.869 20 0 EHADRM CC(C)c1n[n-]c(=NCCc2cnc(SC3CCCC3)nc2)s1 ZINC000555251616 1040325245 /nfs/dbraw/zinc/32/52/45/1040325245.db2.gz DYIZYFPBWQVOFV-UHFFFAOYSA-N -1 0 349.529 3.563 20 0 EHADRM O=C([O-])c1ccc2cc(CCNC(=O)C[C@@H]3C=CCCC3)oc2c1 ZINC000908222237 1040347015 /nfs/dbraw/zinc/34/70/15/1040347015.db2.gz URMUPBILVAYEPC-CYBMUJFWSA-N -1 0 327.380 3.536 20 0 EHADRM O=c1c(C(F)(F)F)c(C2CC2)[n-]n1-c1nc2ccccc2s1 ZINC000899346082 1040349150 /nfs/dbraw/zinc/34/91/50/1040349150.db2.gz AWVBCXMVEOYKPE-JTQLQIEISA-N -1 0 325.315 3.587 20 0 EHADRM O=c1c(C(F)(F)F)c(C2CC2)[n-]n1-c1ccccc1Br ZINC000899347048 1040353784 /nfs/dbraw/zinc/35/37/84/1040353784.db2.gz GAXGTBVQXQLZTQ-JTQLQIEISA-N -1 0 347.134 3.740 20 0 EHADRM O=c1c(C(F)(F)F)c(C2CC2)[n-]n1-c1ccccc1Br ZINC000899347049 1040353945 /nfs/dbraw/zinc/35/39/45/1040353945.db2.gz GAXGTBVQXQLZTQ-SNVBAGLBSA-N -1 0 347.134 3.740 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)c2ccccc2CCC(=O)[O-])cn1 ZINC000908218221 1040356773 /nfs/dbraw/zinc/35/67/73/1040356773.db2.gz CUPXBLVGHZMAEJ-UHFFFAOYSA-N -1 0 326.396 3.649 20 0 EHADRM CC(C)(C)c1cccc([N-]S(=O)(=O)c2cccc(F)c2F)c1O ZINC000479529285 1040362948 /nfs/dbraw/zinc/36/29/48/1040362948.db2.gz PVXATBOOABNYGH-UHFFFAOYSA-N -1 0 341.379 3.769 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1c[nH]cc1-c1ccccc1)CC1CCCC1 ZINC000908280994 1040381472 /nfs/dbraw/zinc/38/14/72/1040381472.db2.gz CBDRQPXXKZTCLF-MRXNPFEDSA-N -1 0 340.423 3.693 20 0 EHADRM Cc1cccc(Cl)c1CC(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908336225 1040399172 /nfs/dbraw/zinc/39/91/72/1040399172.db2.gz KKFGHPQHVPPHRF-UHFFFAOYSA-N -1 0 337.847 3.732 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908342612 1040402555 /nfs/dbraw/zinc/40/25/55/1040402555.db2.gz RDMWMWOJZIPIET-HNNXBMFYSA-N -1 0 347.455 3.730 20 0 EHADRM CCCc1c(C)[n-]n(-c2nc(C(F)(F)F)nc3ccccc32)c1=O ZINC000614186219 1040445601 /nfs/dbraw/zinc/44/56/01/1040445601.db2.gz WEAHONCUXGHPTM-SNVBAGLBSA-N -1 0 336.317 3.787 20 0 EHADRM COCCc1ccccc1NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000190861029 1040493534 /nfs/dbraw/zinc/49/35/34/1040493534.db2.gz MWHJWFMAPDPUHT-UHFFFAOYSA-N -1 0 328.393 3.558 20 0 EHADRM COc1c(NC(=O)c2csc3c2CCCC3)cccc1C(=O)[O-] ZINC000908507721 1040497543 /nfs/dbraw/zinc/49/75/43/1040497543.db2.gz MDHJGLVYLWWXHL-UHFFFAOYSA-N -1 0 331.393 3.586 20 0 EHADRM CC(C)=CC[C@@H](NC(=O)Nc1ccc(CC(F)(F)F)cc1)C(=O)[O-] ZINC000908623785 1040534115 /nfs/dbraw/zinc/53/41/15/1040534115.db2.gz CNKCNAYMAVCMJN-CYBMUJFWSA-N -1 0 344.333 3.722 20 0 EHADRM O=C([O-])C1=C(C(=O)Nc2ccc(SC(F)F)cc2)CCCC1 ZINC000319242546 1040535110 /nfs/dbraw/zinc/53/51/10/1040535110.db2.gz AJLJMAXAYFFACY-UHFFFAOYSA-N -1 0 327.352 3.895 20 0 EHADRM COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)c1ccoc1C ZINC000128313698 1040538810 /nfs/dbraw/zinc/53/88/10/1040538810.db2.gz JHUNKCFZKBFILY-LBPRGKRZSA-N -1 0 346.770 3.520 20 0 EHADRM CC(C)=CC[C@@H](NC(=O)Nc1ccc(F)c(C(F)F)c1)C(=O)[O-] ZINC000908631304 1040540258 /nfs/dbraw/zinc/54/02/58/1040540258.db2.gz DZGMYBTZWRNINZ-GFCCVEGCSA-N -1 0 330.306 3.694 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CC[C@H]1CCc2ccccc21)c1cccs1 ZINC000908639675 1040544815 /nfs/dbraw/zinc/54/48/15/1040544815.db2.gz XOWVVCSAVVJNHQ-GDBMZVCRSA-N -1 0 343.448 3.890 20 0 EHADRM CSc1nc(=NC(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)s[n-]1 ZINC000486916503 1040545640 /nfs/dbraw/zinc/54/56/40/1040545640.db2.gz UIIPGHAVKNWOBM-QWHCGFSZSA-N -1 0 348.497 3.530 20 0 EHADRM CCCN(Cc1ccc(C)cc1)C(=O)N=c1[n-]nc(C2CC2)s1 ZINC000555405814 1040552954 /nfs/dbraw/zinc/55/29/54/1040552954.db2.gz ZHYAFSZCRVZNPG-UHFFFAOYSA-N -1 0 330.457 3.590 20 0 EHADRM C[C@@H]1CCC[C@@H](N(C)C(=O)N=c2[n-]nc(/C=C\c3ccco3)s2)C1 ZINC000486922417 1040554684 /nfs/dbraw/zinc/55/46/84/1040554684.db2.gz AWWFGXBBOBXZOK-WACGGTQYSA-N -1 0 346.456 3.766 20 0 EHADRM Cc1cccc(NC(=O)N=c2[n-]nc(/C=C/c3ccco3)s2)c1C ZINC000486926453 1040561064 /nfs/dbraw/zinc/56/10/64/1040561064.db2.gz PTULRRKZBGXFOD-CMDGGOBGSA-N -1 0 340.408 3.984 20 0 EHADRM CCC[C@@H]1CCCN(C(=O)N=c2[n-]nc(/C=C/c3ccco3)s2)C1 ZINC000486947267 1040576423 /nfs/dbraw/zinc/57/64/23/1040576423.db2.gz VZZHZZYKVQGDFZ-MMQHEFTJSA-N -1 0 346.456 3.767 20 0 EHADRM O=C(Cc1ccc(F)cc1Cl)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000429846396 1040613537 /nfs/dbraw/zinc/61/35/37/1040613537.db2.gz AKQSPNWPVMTXEX-UHFFFAOYSA-N -1 0 341.773 3.539 20 0 EHADRM CCCCOc1ccccc1CN=c1[n-]nc(Cc2ccccc2)o1 ZINC000479783818 1040620883 /nfs/dbraw/zinc/62/08/83/1040620883.db2.gz QWLLMASPHZHFNN-UHFFFAOYSA-N -1 0 337.423 3.873 20 0 EHADRM CCC[C@H](Cc1ccccc1)NC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000908777808 1040660243 /nfs/dbraw/zinc/66/02/43/1040660243.db2.gz FXHNCACEUSOHOM-PBPGXSGUSA-N -1 0 329.440 3.549 20 0 EHADRM CC(C)[C@@H]1CCCN(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])CC1 ZINC000908807326 1040662347 /nfs/dbraw/zinc/66/23/47/1040662347.db2.gz UYAYPGCQHBUDSX-CQSZACIVSA-N -1 0 342.439 3.693 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N2CCC(Cc3ccccc3)CC2)c1 ZINC000243385601 1040668865 /nfs/dbraw/zinc/66/88/65/1040668865.db2.gz MJEIRWWDBBKSQZ-UHFFFAOYSA-N -1 0 338.407 3.871 20 0 EHADRM Cc1cccc([C@@H]2CCCCN2C(=O)c2ccoc2CC(=O)[O-])c1C ZINC000908832376 1040679152 /nfs/dbraw/zinc/67/91/52/1040679152.db2.gz BIJWMSSRJAHJNN-KRWDZBQOSA-N -1 0 341.407 3.891 20 0 EHADRM CCc1cc(NC(=O)c2cc(F)c(F)c([O-])c2F)c2ccccc2n1 ZINC000487073059 1040687279 /nfs/dbraw/zinc/68/72/79/1040687279.db2.gz VABTULSEZMDUGM-UHFFFAOYSA-N -1 0 346.308 3.594 20 0 EHADRM O=C([O-])[C@@H](CC(F)F)NC(=O)Cc1ccc(C2CCCCC2)cc1 ZINC000659157360 1040837120 /nfs/dbraw/zinc/83/71/20/1040837120.db2.gz UGRMPLCEBNUKRP-OAHLLOKOSA-N -1 0 339.382 3.501 20 0 EHADRM CC1(CC(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)CCCC1 ZINC000909137148 1040837761 /nfs/dbraw/zinc/83/77/61/1040837761.db2.gz OKARBQGEYAYBIG-UHFFFAOYSA-N -1 0 340.423 3.721 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)NC[C@H](C)CC(F)F ZINC000909242920 1040878662 /nfs/dbraw/zinc/87/86/62/1040878662.db2.gz ANDPCCMXRFZOTD-TZMCWYRMSA-N -1 0 342.386 3.525 20 0 EHADRM CCc1cccc([N-]S(=O)(=O)c2cc(OC)ccc2Cl)c1 ZINC000487285490 1040883720 /nfs/dbraw/zinc/88/37/20/1040883720.db2.gz IEFLEJUEVUJBNQ-UHFFFAOYSA-N -1 0 325.817 3.712 20 0 EHADRM CC(C)[C@@H](C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1cccnc1 ZINC000909297954 1040913581 /nfs/dbraw/zinc/91/35/81/1040913581.db2.gz TZZPZGIBWMUXIO-QGZVFWFLSA-N -1 0 340.423 3.822 20 0 EHADRM C[C@H](Cc1ccco1)C(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1 ZINC000659158858 1040920810 /nfs/dbraw/zinc/92/08/10/1040920810.db2.gz PCRBVLAHEZABQO-ZBFHGGJFSA-N -1 0 335.444 3.778 20 0 EHADRM CN(C(=O)CCCCc1ccccc1)c1ccc(OCC(=O)[O-])cc1 ZINC000909780580 1041007660 /nfs/dbraw/zinc/00/76/60/1041007660.db2.gz KTIJYOJJCVDXTE-UHFFFAOYSA-N -1 0 341.407 3.526 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cnn(CC3CCCC3)c2)cc1 ZINC000909832537 1041029123 /nfs/dbraw/zinc/02/91/23/1041029123.db2.gz GGVBCTRBMVQAMF-ZDUSSCGKSA-N -1 0 341.411 3.514 20 0 EHADRM CN(C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)[C@H](C(=O)[O-])c1ccccc1 ZINC000555709311 1041030427 /nfs/dbraw/zinc/03/04/27/1041030427.db2.gz AFITYFMJNFZWKW-OWLYRPNTSA-N -1 0 344.455 3.813 20 0 EHADRM Cc1c(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cnn1CCC(C)C ZINC000909837696 1041034328 /nfs/dbraw/zinc/03/43/28/1041034328.db2.gz YNRVYRQTWMHQBC-CYBMUJFWSA-N -1 0 343.427 3.678 20 0 EHADRM O=C(N=c1[n-]nc(-c2cccc(Cl)c2)s1)NCC1(C2CC2)CC1 ZINC000481539632 1041035348 /nfs/dbraw/zinc/03/53/48/1041035348.db2.gz DZCKYGPASCWQBY-UHFFFAOYSA-N -1 0 348.859 3.592 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cccc(-c2ccoc2)c1 ZINC000555736740 1041059180 /nfs/dbraw/zinc/05/91/80/1041059180.db2.gz HWVSUEFBZFJTKQ-QGZVFWFLSA-N -1 0 327.380 3.806 20 0 EHADRM CC(C)(C)SCCCC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000909954101 1041094514 /nfs/dbraw/zinc/09/45/14/1041094514.db2.gz CKEIMXZLJIXBRX-SOUVJXGZSA-N -1 0 341.517 3.790 20 0 EHADRM CC(C)(C)SCCCC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000909954099 1041096038 /nfs/dbraw/zinc/09/60/38/1041096038.db2.gz CKEIMXZLJIXBRX-KKUMJFAQSA-N -1 0 341.517 3.790 20 0 EHADRM COc1cc(NC(=O)[C@@H](CC(=O)[O-])CC(C)C)ccc1OC(C)C ZINC000899779820 1041102845 /nfs/dbraw/zinc/10/28/45/1041102845.db2.gz DFAHXMJFUOTEBX-CYBMUJFWSA-N -1 0 337.416 3.558 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)N[C@@H](C)c1ccc2ncsc2c1 ZINC000899779498 1041103468 /nfs/dbraw/zinc/10/34/68/1041103468.db2.gz AFEKDUKGMVZHBI-WCQYABFASA-N -1 0 334.441 3.611 20 0 EHADRM CC(C)CCn1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)n1 ZINC000481614922 1041131278 /nfs/dbraw/zinc/13/12/78/1041131278.db2.gz LXGHLCODAYHHJN-UHFFFAOYSA-N -1 0 343.452 3.883 20 0 EHADRM C[C@@H]1CCC[C@H](C)CN1C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000669167278 1041139287 /nfs/dbraw/zinc/13/92/87/1041139287.db2.gz ALIGFBKIAXCXRR-NWDGAFQWSA-N -1 0 349.381 3.507 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000899801846 1041141701 /nfs/dbraw/zinc/14/17/01/1041141701.db2.gz UJDZJMKCPVYTHA-CYBMUJFWSA-N -1 0 332.425 3.886 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)NCc1csc(C(F)(F)F)c1 ZINC000899795223 1041146367 /nfs/dbraw/zinc/14/63/67/1041146367.db2.gz VLRNHJASWKBMRN-SNVBAGLBSA-N -1 0 337.363 3.520 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N(C)[C@@H]2CCc3ccccc32)C(=O)[O-])cc1 ZINC000899796972 1041149215 /nfs/dbraw/zinc/14/92/15/1041149215.db2.gz UVPVNNFJLUOWOR-RTBURBONSA-N -1 0 337.419 3.699 20 0 EHADRM CC(C)CCO[C@H]1CC[C@H](NC(=O)[C@H](CC(=O)[O-])CC(C)C)CC1 ZINC000899827527 1041183173 /nfs/dbraw/zinc/18/31/73/1041183173.db2.gz KUFNPVDNGJIINM-ULQDDVLXSA-N -1 0 341.492 3.614 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000899828878 1041186142 /nfs/dbraw/zinc/18/61/42/1041186142.db2.gz APRWIRYLPRYEGT-SECBINFHSA-N -1 0 333.306 3.503 20 0 EHADRM CSc1ccc(C(=O)N2CCC[C@H]2c2nc(C(=O)[O-])cs2)cc1 ZINC000910114532 1041196778 /nfs/dbraw/zinc/19/67/78/1041196778.db2.gz VIQZANSZFNVRCP-ZDUSSCGKSA-N -1 0 348.449 3.541 20 0 EHADRM O=C([O-])c1csc([C@H]2CCCN2C(=O)C2CCCCCCC2)n1 ZINC000910115271 1041197317 /nfs/dbraw/zinc/19/73/17/1041197317.db2.gz SPRAEOAJUHCZAC-CQSZACIVSA-N -1 0 336.457 3.865 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)CC2(CC(=O)[O-])CCC2)c1 ZINC000899841421 1041204545 /nfs/dbraw/zinc/20/45/45/1041204545.db2.gz BBUZEFLZFOKMAF-UHFFFAOYSA-N -1 0 333.428 3.975 20 0 EHADRM COc1cc([C@@H](C)NC(=O)CC(C)(C)CC(=O)[O-])cc2ccccc21 ZINC000899854572 1041236294 /nfs/dbraw/zinc/23/62/94/1041236294.db2.gz GIMKYTSDPMJBRJ-CYBMUJFWSA-N -1 0 343.423 3.917 20 0 EHADRM O=S(=O)([N-]c1cccnc1Oc1ccccc1)c1cccs1 ZINC000047211875 1041578772 /nfs/dbraw/zinc/57/87/72/1041578772.db2.gz WJQWHQOCAJPOCN-UHFFFAOYSA-N -1 0 332.406 3.736 20 0 EHADRM Cc1ccc(S[C@H](C)C(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])cc1 ZINC000432100479 1041590832 /nfs/dbraw/zinc/59/08/32/1041590832.db2.gz XQFGXYWSTNHCHW-QIIPPGSGSA-N -1 0 335.469 3.625 20 0 EHADRM CC1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2O1 ZINC000047251060 1041593404 /nfs/dbraw/zinc/59/34/04/1041593404.db2.gz SSJKGLCTDYCPGY-UHFFFAOYSA-N -1 0 345.829 3.710 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000659167021 1041682224 /nfs/dbraw/zinc/68/22/24/1041682224.db2.gz JPCSWROLRBTIAF-MGCOHNPYSA-N -1 0 327.833 3.891 20 0 EHADRM COCc1ccccc1C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000026432133 1041719267 /nfs/dbraw/zinc/71/92/67/1041719267.db2.gz LFNKDWZLRZLKBV-GIJQJNRQSA-N -1 0 334.759 3.719 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)N[C@@H]3CC[C@H](C(=O)[O-])C3)ccc21 ZINC000647695115 1041721425 /nfs/dbraw/zinc/72/14/25/1041721425.db2.gz PWGCZKLEGAHYKI-LSDHHAIUSA-N -1 0 343.427 3.672 20 0 EHADRM O=c1nc(CSc2nc(-c3ccccc3)c[nH]2)[n-]c2ccsc21 ZINC000043908009 1041783092 /nfs/dbraw/zinc/78/30/92/1041783092.db2.gz ZKSNEZCRNDVDQZ-UHFFFAOYSA-N -1 0 340.433 3.667 20 0 EHADRM C[C@@H](N=c1[n-]nc(C2CCOCC2)s1)c1cc2ccccc2o1 ZINC000549554162 1042217493 /nfs/dbraw/zinc/21/74/93/1042217493.db2.gz DEIQLLRMSPFFAA-LLVKDONJSA-N -1 0 329.425 3.773 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)N=c1[n-]nc(C2CC2)s1 ZINC000549562652 1042275542 /nfs/dbraw/zinc/27/55/42/1042275542.db2.gz UUUBEMITXKMODS-LBPRGKRZSA-N -1 0 344.484 3.715 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000909376027 1042319225 /nfs/dbraw/zinc/31/92/25/1042319225.db2.gz URCVVLVRDQSJCK-CQSZACIVSA-N -1 0 347.455 3.779 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)C2CC3(C2)CCCCC3)c2ccccc21 ZINC000663054741 1042401873 /nfs/dbraw/zinc/40/18/73/1042401873.db2.gz QJXMZBASXWAMFI-INIZCTEOSA-N -1 0 327.424 3.952 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000327019077 1042413412 /nfs/dbraw/zinc/41/34/12/1042413412.db2.gz OBVBFUNWLGGKIJ-UHFFFAOYSA-N -1 0 341.338 3.551 20 0 EHADRM Cc1nc(NC(=O)C2(C(=O)[O-])CCC2)sc1Cc1cccc(C)c1 ZINC000663073330 1042424033 /nfs/dbraw/zinc/42/40/33/1042424033.db2.gz RNYDERCQWCZIJU-UHFFFAOYSA-N -1 0 344.436 3.544 20 0 EHADRM O=C(N=c1nc(-c2cccc(Cl)c2)[n-]s1)c1occ2c1CCC2 ZINC000511942195 1042465763 /nfs/dbraw/zinc/46/57/63/1042465763.db2.gz NQIBUAJLEUMKPH-UHFFFAOYSA-N -1 0 345.811 3.614 20 0 EHADRM O=C([O-])[C@H](CNC(=O)C1(c2cccs2)CCCCC1)C1CCC1 ZINC000663147412 1042492478 /nfs/dbraw/zinc/49/24/78/1042492478.db2.gz NHTIPFWYBZQOEX-CQSZACIVSA-N -1 0 335.469 3.567 20 0 EHADRM CCOc1ccc(CNC(=O)c2cc(F)c([O-])c(Cl)c2)cc1F ZINC000184382875 1042495169 /nfs/dbraw/zinc/49/51/69/1042495169.db2.gz LSOHBDNZJYPRJB-UHFFFAOYSA-N -1 0 341.741 3.653 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1cccc(Nc2ccccc2)c1)C1CCC1 ZINC000663152957 1042496039 /nfs/dbraw/zinc/49/60/39/1042496039.db2.gz XVVWYHUDHHMUSS-SFHVURJKSA-N -1 0 338.407 3.661 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1ccc(Cl)cc1C(F)(F)F)C1CCC1 ZINC000663152468 1042496700 /nfs/dbraw/zinc/49/67/00/1042496700.db2.gz KAJVYQPUJGVGER-NSHDSACASA-N -1 0 349.736 3.590 20 0 EHADRM C[C@H](C(=O)NC[C@@H](C(=O)[O-])C1CCC1)c1ccc(Cl)c(Cl)c1 ZINC000663153128 1042496794 /nfs/dbraw/zinc/49/67/94/1042496794.db2.gz ILIGZYVUAZHWFI-JOYOIKCWSA-N -1 0 344.238 3.714 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)C1CCC(c2ccccc2)CC1)C1CCC1 ZINC000663154712 1042499675 /nfs/dbraw/zinc/49/96/75/1042499675.db2.gz MHWNMCHIMGTQRC-VJFUWPCTSA-N -1 0 329.440 3.578 20 0 EHADRM Cc1c(Cl)cccc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000659188307 1042522023 /nfs/dbraw/zinc/52/20/23/1042522023.db2.gz BZFRJSKXRDZYJC-DZKIICNBSA-N -1 0 335.831 3.754 20 0 EHADRM C[C@@H](CC(=O)c1ccccc1)NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184494410 1042564015 /nfs/dbraw/zinc/56/40/15/1042564015.db2.gz UCLWUYIFUVWPGO-JTQLQIEISA-N -1 0 335.762 3.576 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)N[C@H](CC1CCC1)c1ccccc1 ZINC000601994363 1042654949 /nfs/dbraw/zinc/65/49/49/1042654949.db2.gz VDPLFXSPIVGFQI-DVOMOZLQSA-N -1 0 335.469 3.629 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000186714817 1042693989 /nfs/dbraw/zinc/69/39/89/1042693989.db2.gz RFSQUNAYEJVPBE-KRWDZBQOSA-N -1 0 329.346 3.963 20 0 EHADRM CC(C)n1ncc2ccc(NC(=O)c3cc(F)c([O-])c(F)c3)cc21 ZINC000186744951 1042701904 /nfs/dbraw/zinc/70/19/04/1042701904.db2.gz BBLDAMICAVTZGN-UHFFFAOYSA-N -1 0 331.322 3.853 20 0 EHADRM O=C(Nc1ccc(-n2cccn2)c(Cl)c1)c1cc(F)c([O-])c(F)c1 ZINC000186773225 1042705919 /nfs/dbraw/zinc/70/59/19/1042705919.db2.gz PFHJAEGLNGKIRK-UHFFFAOYSA-N -1 0 349.724 3.762 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)Nc1ccc2c3c(cccc31)CC2)C1CCC1 ZINC000663338335 1042720868 /nfs/dbraw/zinc/72/08/68/1042720868.db2.gz HWYAQGQWPVAHQC-INIZCTEOSA-N -1 0 338.407 3.561 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)Nc1cccc(Cl)c1Cl)C1CCC1 ZINC000663339591 1042721909 /nfs/dbraw/zinc/72/19/09/1042721909.db2.gz ZMDLIQWFDGJOQW-VIFPVBQESA-N -1 0 331.199 3.616 20 0 EHADRM CC[C@H](CSc1ccccc1)NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000186928022 1042729189 /nfs/dbraw/zinc/72/91/89/1042729189.db2.gz NZNXTBQVUFDNTO-GFCCVEGCSA-N -1 0 337.391 3.971 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2cccc(-c3cccs3)c2)CCC1 ZINC000663344721 1042729732 /nfs/dbraw/zinc/72/97/32/1042729732.db2.gz NBQLTFBOOIFIBW-UHFFFAOYSA-N -1 0 330.409 3.792 20 0 EHADRM CCN(c1ccc(C(=O)N=c2[n-]nc(C(C)C)s2)cc1)C(C)C ZINC000343943208 1042900988 /nfs/dbraw/zinc/90/09/88/1042900988.db2.gz CRTPIHRDOJPMFM-UHFFFAOYSA-N -1 0 332.473 3.570 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2cc3ccc(F)cc3s2)cc1 ZINC000321613276 1042937373 /nfs/dbraw/zinc/93/73/73/1042937373.db2.gz VPKWXMQEZNLCFE-UHFFFAOYSA-N -1 0 329.352 3.669 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)C2CCCCCCC2)sc1C ZINC000408287206 1042971404 /nfs/dbraw/zinc/97/14/04/1042971404.db2.gz QQPYNJULSDWKRT-UHFFFAOYSA-N -1 0 329.487 3.530 20 0 EHADRM COc1ccc(O)c(C(=O)Nc2ccc3[nH]c(-c4ccco4)nc3c2)c1 ZINC000617133822 1042986156 /nfs/dbraw/zinc/98/61/56/1042986156.db2.gz CGEHXQFSUNJUEG-UHFFFAOYSA-N -1 0 349.346 3.789 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)c2ccn(C(CC)CC)n2)s1 ZINC000432358535 1042994809 /nfs/dbraw/zinc/99/48/09/1042994809.db2.gz PGBPKAOFKWMJBK-UHFFFAOYSA-N -1 0 335.477 3.674 20 0 EHADRM Cc1ccc(Nc2c(O)cc(S(=O)(=O)[O-])c3ccccc32)cc1O ZINC001211700138 1043145459 /nfs/dbraw/zinc/14/54/59/1043145459.db2.gz YOMMBEHWFRIXJQ-UHFFFAOYSA-N -1 0 345.376 3.550 20 0 EHADRM CCCC[C@H](NC(=O)N=c1[n-]nc(CC)s1)c1ccc(OC)cc1 ZINC000344152029 1043340792 /nfs/dbraw/zinc/34/07/92/1043340792.db2.gz OBIXCTPZMHXPIC-AWEZNQCLSA-N -1 0 348.472 3.584 20 0 EHADRM CC(C)c1ccccc1NC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000326702384 1043438063 /nfs/dbraw/zinc/43/80/63/1043438063.db2.gz VHPZHJAHSJMOBC-SFHVURJKSA-N -1 0 338.407 3.853 20 0 EHADRM CC1=C(C)CN(C(=O)N=c2[n-]nc(-c3cccc(Cl)c3)s2)CC1 ZINC000432495656 1043530295 /nfs/dbraw/zinc/53/02/95/1043530295.db2.gz ITJSUMKIRFLXIL-UHFFFAOYSA-N -1 0 348.859 3.854 20 0 EHADRM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)Nc1cc(Cl)ccc1Cl ZINC000319824040 1043610705 /nfs/dbraw/zinc/61/07/05/1043610705.db2.gz YPPNLOBJSDBNJH-FWDPORAESA-N -1 0 343.210 3.710 20 0 EHADRM CCCc1cc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])sc1C ZINC000319913668 1043791357 /nfs/dbraw/zinc/79/13/57/1043791357.db2.gz DISHQYYDTRHYOT-ZNMIVQPWSA-N -1 0 335.469 3.867 20 0 EHADRM Cc1cc(NC(=O)c2ccc(Br)o2)cc(C(=O)[O-])c1C ZINC000062337833 1044030120 /nfs/dbraw/zinc/03/01/20/1044030120.db2.gz OTJONHZYOZDRMU-UHFFFAOYSA-N -1 0 338.157 3.609 20 0 EHADRM O=S(=O)(CCCCF)[N-][C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000344527002 1044102108 /nfs/dbraw/zinc/10/21/08/1044102108.db2.gz KDJJTGHDUJWWFE-NSHDSACASA-N -1 0 347.761 3.613 20 0 EHADRM Cc1cccc(C2(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)CCC2)c1 ZINC000324430883 1044360163 /nfs/dbraw/zinc/36/01/63/1044360163.db2.gz VUKFNKVXNCNYQW-INIZCTEOSA-N -1 0 329.440 3.520 20 0 EHADRM CC(C)c1ccc(C[C@H](C)[N-]S(=O)(=O)[C@@H](C)C(F)(F)F)cc1 ZINC000544725966 1044402093 /nfs/dbraw/zinc/40/20/93/1044402093.db2.gz NAWDIHCTTBVVCT-RYUDHWBXSA-N -1 0 337.407 3.611 20 0 EHADRM O=C(c1cc(-c2ccccc2)cc(Cl)c1[O-])N1CCC2(COC2)C1 ZINC000620290437 1125536947 /nfs/dbraw/zinc/53/69/47/1125536947.db2.gz VFEDYLFGBWPEDI-UHFFFAOYSA-N -1 0 343.810 3.575 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)c2c(F)cccc2Cl)n1 ZINC000153546143 1125629196 /nfs/dbraw/zinc/62/91/96/1125629196.db2.gz PXQVKRLWJDEKMN-UHFFFAOYSA-N -1 0 334.825 3.689 20 0 EHADRM C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1[O-])c1ccc(Cl)cn1 ZINC000622540699 1126717439 /nfs/dbraw/zinc/71/74/39/1126717439.db2.gz NIDLHNYAZRBSKI-MRVPVSSYSA-N -1 0 344.720 3.950 20 0 EHADRM C[C@@](CC(=O)Nc1cccc(C(F)F)c1)(C(=O)[O-])c1ccccc1 ZINC000337724620 1126826217 /nfs/dbraw/zinc/82/62/17/1126826217.db2.gz YTCVDTNMDLRTRN-SFHVURJKSA-N -1 0 333.334 3.995 20 0 EHADRM O=C([O-])[C@H](CC(F)F)NC(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000780402882 1126899568 /nfs/dbraw/zinc/89/95/68/1126899568.db2.gz NBUKNIBJCVSKGT-LBPRGKRZSA-N -1 0 348.305 3.816 20 0 EHADRM O=S(=O)(Cc1ccc(F)cc1)[N-]c1scnc1-c1ccccc1 ZINC000180164830 1127128617 /nfs/dbraw/zinc/12/86/17/1127128617.db2.gz NSYNGFGTUNRKSI-UHFFFAOYSA-N -1 0 348.424 3.891 20 0 EHADRM Cc1ccc(C[C@H](C)N(C)C(=O)c2cc(F)c(F)c([O-])c2F)cc1 ZINC000182790489 1127347866 /nfs/dbraw/zinc/34/78/66/1127347866.db2.gz LSHFPJKXUUHEQM-NSHDSACASA-N -1 0 337.341 3.821 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cnccc2-c2cccc(F)c2)c(C)o1 ZINC000183127549 1127364170 /nfs/dbraw/zinc/36/41/70/1127364170.db2.gz QAIQVYWQTXEYLA-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM CC1(C)Oc2ccc(NC(=O)c3cc(F)c(F)c([O-])c3F)cc2O1 ZINC000185096344 1127420024 /nfs/dbraw/zinc/42/00/24/1127420024.db2.gz CGGQXTBEHQJLMY-UHFFFAOYSA-N -1 0 339.269 3.569 20 0 EHADRM O=C(NCCCc1cccc(Cl)c1)c1cc(F)c(F)c([O-])c1F ZINC000185677688 1127430420 /nfs/dbraw/zinc/43/04/20/1127430420.db2.gz RMYFYFNCDIXYHU-UHFFFAOYSA-N -1 0 343.732 3.826 20 0 EHADRM CC(C)(CCc1ccccc1)NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000185785974 1127432126 /nfs/dbraw/zinc/43/21/26/1127432126.db2.gz ZARJTAOPNSYQRL-UHFFFAOYSA-N -1 0 337.341 3.951 20 0 EHADRM CCSc1cccc(C(=O)[N-]S(=O)(=O)/C=C\c2ccccc2)c1 ZINC000764563422 1127508196 /nfs/dbraw/zinc/50/81/96/1127508196.db2.gz YYPLPPYOGBPOAG-QXMHVHEDSA-N -1 0 347.461 3.529 20 0 EHADRM COC(=O)/C(=C/c1ccc(C(=O)[O-])cc1)c1nc(C(C)(C)C)cs1 ZINC000764985670 1127562467 /nfs/dbraw/zinc/56/24/67/1127562467.db2.gz ZHSSEVXAFDCTBA-UKTHLTGXSA-N -1 0 345.420 3.852 20 0 EHADRM CC(=O)c1ncc(C(=O)[N-]c2c(C)noc2-c2ccccc2)s1 ZINC001127875105 1127622968 /nfs/dbraw/zinc/62/29/68/1127622968.db2.gz OSPJYBKNSLMFGZ-UHFFFAOYSA-N -1 0 327.365 3.561 20 0 EHADRM CC[C@H]1c2ccsc2CCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000015547262 1127655086 /nfs/dbraw/zinc/65/50/86/1127655086.db2.gz JUKZSJVXUXHUGR-LBPRGKRZSA-N -1 0 331.466 3.556 20 0 EHADRM O=S(=O)([N-]c1cccc2c[nH]nc21)c1ccc(Cl)c(Cl)c1 ZINC000024381242 1127705219 /nfs/dbraw/zinc/70/52/19/1127705219.db2.gz NFIBBRSRQJREOO-UHFFFAOYSA-N -1 0 342.207 3.671 20 0 EHADRM Cc1ccc(S[C@H](C)C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000347493693 1127736560 /nfs/dbraw/zinc/73/65/60/1127736560.db2.gz HXVMHAKZTWAUQP-HUUCEWRRSA-N -1 0 335.469 3.722 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1O ZINC000387369846 1127754617 /nfs/dbraw/zinc/75/46/17/1127754617.db2.gz AKQLMNYCKBMZBP-UHFFFAOYSA-N -1 0 331.315 3.520 20 0 EHADRM Cc1nc2ccccc2nc1SCc1nc(=O)c2sccc2[n-]1 ZINC000029282279 1127797590 /nfs/dbraw/zinc/79/75/90/1127797590.db2.gz HDGVNRGCYBLWMU-UHFFFAOYSA-N -1 0 340.433 3.529 20 0 EHADRM CCCOc1cccc([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000032599829 1127854347 /nfs/dbraw/zinc/85/43/47/1127854347.db2.gz KNUIQOFBAORQFK-UHFFFAOYSA-N -1 0 325.817 3.930 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@H](CC1CC1)C(=O)[O-] ZINC000347510200 1128025350 /nfs/dbraw/zinc/02/53/50/1128025350.db2.gz CNIHTSVKFIUZBC-YMTOWFKASA-N -1 0 344.238 3.542 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)n(-c2ccccc2)n1 ZINC000057734468 1128056083 /nfs/dbraw/zinc/05/60/83/1128056083.db2.gz VHFQHAZMBUVKNL-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(Br)cc(Cl)c2[O-])C[C@H]1C ZINC000073147828 1128317433 /nfs/dbraw/zinc/31/74/33/1128317433.db2.gz HDXFGSOIGRUTEC-HTQZYQBOSA-N -1 0 332.625 3.536 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)s2)cc1 ZINC000473760563 1128454549 /nfs/dbraw/zinc/45/45/49/1128454549.db2.gz KEYKDMAUSCULRY-UHFFFAOYSA-N -1 0 336.360 3.525 20 0 EHADRM OCC[C@H](N=c1[n-]c(C2CCC2)no1)c1cc(Cl)cc(Cl)c1 ZINC000624722402 1128498255 /nfs/dbraw/zinc/49/82/55/1128498255.db2.gz WRVWQMGRTALHBZ-ZDUSSCGKSA-N -1 0 342.226 3.601 20 0 EHADRM Cc1ccsc1CNC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000618492827 1128510564 /nfs/dbraw/zinc/51/05/64/1128510564.db2.gz ZISFAEWURPRYOE-UHFFFAOYSA-N -1 0 347.827 3.531 20 0 EHADRM O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1c(O)cccc1Cl ZINC000765843958 1128546929 /nfs/dbraw/zinc/54/69/29/1128546929.db2.gz UQCQMYRLPKMAEZ-BBRMVZONSA-N -1 0 331.799 3.696 20 0 EHADRM CCN(Cc1ccc(C)cc1)C(=O)N=c1ncn(C2CCCCC2)[n-]1 ZINC000542722651 1128561280 /nfs/dbraw/zinc/56/12/80/1128561280.db2.gz SVXGWUQKRZNKDO-UHFFFAOYSA-N -1 0 341.459 3.568 20 0 EHADRM CC[C@H]1CCCN1C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000542729991 1128565277 /nfs/dbraw/zinc/56/52/77/1128565277.db2.gz QCMMVKFQGMLLIN-LBPRGKRZSA-N -1 0 336.848 3.687 20 0 EHADRM CC(C)(C)c1n[n-]c(=NCc2ccc(Cl)cc2Br)o1 ZINC000542754792 1128575189 /nfs/dbraw/zinc/57/51/89/1128575189.db2.gz LNMJRDMZFOWLDK-UHFFFAOYSA-N -1 0 344.640 3.817 20 0 EHADRM O=C(N=c1[n-]nc(-c2cc3ccccc3o2)s1)N[C@@H]1CC=CCC1 ZINC000470511618 1128604578 /nfs/dbraw/zinc/60/45/78/1128604578.db2.gz PUSXNWBCRBZLKL-GFCCVEGCSA-N -1 0 340.408 3.603 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cn1)c1cc(Cl)sc1Cl ZINC000072601988 1128729071 /nfs/dbraw/zinc/72/90/71/1128729071.db2.gz MOEAGIDDGYWDBH-UHFFFAOYSA-N -1 0 343.644 3.904 20 0 EHADRM Cc1ccsc1C=C(Cl)c1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000011330631 1128779906 /nfs/dbraw/zinc/77/99/06/1128779906.db2.gz CUCOZIKTPYFNMQ-XFFZJAGNSA-N -1 0 346.795 3.728 20 0 EHADRM CCCn1ccc2cc([N-]S(=O)(=O)c3ccccc3F)ccc21 ZINC000063476125 1128879705 /nfs/dbraw/zinc/87/97/05/1128879705.db2.gz LQYZRAZIERNRSD-UHFFFAOYSA-N -1 0 332.400 3.991 20 0 EHADRM Cc1cc(F)cc([N-]S(=O)(=O)c2ccccc2-c2ccno2)c1 ZINC000542940885 1128886296 /nfs/dbraw/zinc/88/62/96/1128886296.db2.gz LMYIIDVOYZDFLP-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM Cc1ncc(CNc2cc(Br)cc(C(=O)[O-])c2)s1 ZINC000227669749 1120160568 /nfs/dbraw/zinc/16/05/68/1120160568.db2.gz AOWOTIRWPMBDJF-UHFFFAOYSA-N -1 0 327.203 3.524 20 0 EHADRM CCOc1cc(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)ccc1C ZINC000236897805 1120249834 /nfs/dbraw/zinc/24/98/34/1120249834.db2.gz AISCHIRQZVQJNJ-YRNVUSSQSA-N -1 0 325.364 3.744 20 0 EHADRM CC[C@@H](NCc1cccc(Cl)c1Cl)c1nc(C(=O)[O-])c[nH]1 ZINC000904065512 1120351215 /nfs/dbraw/zinc/35/12/15/1120351215.db2.gz SUCHVUZGIQUPAL-SNVBAGLBSA-N -1 0 328.199 3.656 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCCC4(CC4)C3)n2)c1 ZINC000184512516 1120377854 /nfs/dbraw/zinc/37/78/54/1120377854.db2.gz URTCTUBJFJVGMY-UHFFFAOYSA-N -1 0 339.439 3.718 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)[nH]n2)cc1Cl ZINC000185627879 1120422366 /nfs/dbraw/zinc/42/23/66/1120422366.db2.gz GWXYLLUPOGHYKQ-UHFFFAOYSA-N -1 0 345.877 3.709 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1c(C)cc(N(C)C)cc1C ZINC000186470704 1120462266 /nfs/dbraw/zinc/46/22/66/1120462266.db2.gz YRHYLYXRSSYKRF-UHFFFAOYSA-N -1 0 336.432 3.618 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1ccc2oc(C)c(C)c2c1 ZINC000187056551 1120484526 /nfs/dbraw/zinc/48/45/26/1120484526.db2.gz BXWGQUZXWYRAEZ-UHFFFAOYSA-N -1 0 337.422 3.921 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1cnn(-c2ccccc2)c1C ZINC000187581211 1120504610 /nfs/dbraw/zinc/50/46/10/1120504610.db2.gz FSZKNOIRUZAJHE-UHFFFAOYSA-N -1 0 341.436 3.544 20 0 EHADRM Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000153013188 1120525729 /nfs/dbraw/zinc/52/57/29/1120525729.db2.gz SDJHFTJGEBDQCZ-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000153010020 1120530656 /nfs/dbraw/zinc/53/06/56/1120530656.db2.gz IRUVZLMQNNLCGU-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM Cc1ncc([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)s1 ZINC000443462702 1120687770 /nfs/dbraw/zinc/68/77/70/1120687770.db2.gz IBUPPMDSRKJPPK-UHFFFAOYSA-N -1 0 337.253 3.868 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccccc2Cl)cnn1-c1ccccc1 ZINC000152590949 1120740958 /nfs/dbraw/zinc/74/09/58/1120740958.db2.gz OPZFIXFHYMIMIO-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM CO[C@H](C)CS(=O)(=O)[N-]c1ccccc1O[C@@H](C)c1ccccc1 ZINC000193328433 1120771285 /nfs/dbraw/zinc/77/12/85/1120771285.db2.gz RWPDOWQNLIWYSR-CABCVRRESA-N -1 0 349.452 3.603 20 0 EHADRM CN(Cc1cccc(Cl)c1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000193913239 1120807987 /nfs/dbraw/zinc/80/79/87/1120807987.db2.gz MSRBYRYYXXLTBG-UHFFFAOYSA-N -1 0 329.705 3.735 20 0 EHADRM Cc1c(O)ccc2c(CN(CC(F)F)CC3CCC3)cc(=O)oc12 ZINC000761725729 1120845248 /nfs/dbraw/zinc/84/52/48/1120845248.db2.gz IVDLLDWPOHHTKJ-UHFFFAOYSA-N -1 0 337.366 3.674 20 0 EHADRM CCC(CC)N(CC)C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000494841457 1120882408 /nfs/dbraw/zinc/88/24/08/1120882408.db2.gz CFAUAJXPHWKEEU-UHFFFAOYSA-N -1 0 335.835 3.882 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)/C=C\c2ccc3ccccc3n2)cc1 ZINC000914731386 1120966881 /nfs/dbraw/zinc/96/68/81/1120966881.db2.gz RGJYJNIHSLXGKG-LRRHXLOMSA-N -1 0 344.370 3.985 20 0 EHADRM Cc1nc([C@H](C)NC(=O)C=C2CCC(C)(C)CC2)sc1C(=O)[O-] ZINC000761992327 1121046966 /nfs/dbraw/zinc/04/69/66/1121046966.db2.gz DSLAZVCUQGGEKP-NSHDSACASA-N -1 0 336.457 3.854 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)C(CC)CC)cc1 ZINC000762018672 1121053686 /nfs/dbraw/zinc/05/36/86/1121053686.db2.gz YAPDYXWELHDELB-CYBMUJFWSA-N -1 0 325.474 3.516 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCC2(F)F)c1Cl ZINC000672430995 1128975751 /nfs/dbraw/zinc/97/57/51/1128975751.db2.gz OZQMNOWPPLEQKB-VIFPVBQESA-N -1 0 344.210 3.768 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])Cc1csc(-c2ccccc2OC)n1 ZINC000236860487 1121466781 /nfs/dbraw/zinc/46/67/81/1121466781.db2.gz KAVAYJSTOGSFAQ-GFCCVEGCSA-N -1 0 334.441 3.504 20 0 EHADRM Cc1cccc(OC(F)F)c1NC(=O)/C=C/c1ccc(C(=O)[O-])cc1 ZINC000237668674 1121490819 /nfs/dbraw/zinc/49/08/19/1121490819.db2.gz CWUAJQSMZZLADY-JXMROGBWSA-N -1 0 347.317 3.947 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)Cc2ccc3c(c2)CCCC3)c1 ZINC000238147327 1121503547 /nfs/dbraw/zinc/50/35/47/1121503547.db2.gz SIDJPZSPQRHLIJ-UHFFFAOYSA-N -1 0 327.355 3.584 20 0 EHADRM O=C(CNc1ccccc1Cl)Nc1cc(Cl)c([O-])cc1F ZINC000672485705 1128990923 /nfs/dbraw/zinc/99/09/23/1128990923.db2.gz MMUCRGZMAHFTJA-UHFFFAOYSA-N -1 0 329.158 3.889 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1C(=O)c1sc2cc(F)ccc2c1Cl ZINC000387095350 1121536708 /nfs/dbraw/zinc/53/67/08/1121536708.db2.gz WDGHQFZFEOINEW-JTQLQIEISA-N -1 0 341.791 3.773 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2nc(-c3ccccc3)cs2)ccc1F ZINC000915855539 1121692555 /nfs/dbraw/zinc/69/25/55/1121692555.db2.gz XGFWVSVWEPLPMA-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM Cc1cc(CN=c2[n-]nc(C3CC3)o2)cc(NC(=O)OC(C)(C)C)c1 ZINC000496183934 1121995872 /nfs/dbraw/zinc/99/58/72/1121995872.db2.gz AFXZBGIDTWACSB-UHFFFAOYSA-N -1 0 344.415 3.636 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cccc2ccccc21)c1cccs1 ZINC000013389416 1129023825 /nfs/dbraw/zinc/02/38/25/1129023825.db2.gz IYDNWVKFVUMBQZ-OAHLLOKOSA-N -1 0 325.389 3.847 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCc1ccc(Cl)cc1)c1cccs1 ZINC000013390013 1129031386 /nfs/dbraw/zinc/03/13/86/1129031386.db2.gz BTFOGLPQVVQSCZ-ZDUSSCGKSA-N -1 0 337.828 3.666 20 0 EHADRM O=S(=O)([N-]c1nsc2ccccc21)c1ccc(Cl)s1 ZINC000916617257 1122218820 /nfs/dbraw/zinc/21/88/20/1122218820.db2.gz LTFLZXPXMHSQQF-UHFFFAOYSA-N -1 0 330.843 3.812 20 0 EHADRM C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1c([O-])cccc1F ZINC000124072666 1122274288 /nfs/dbraw/zinc/27/42/88/1122274288.db2.gz HLCYAJGGJQEXNJ-BZNIZROVSA-N -1 0 349.789 3.787 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cc1O)c1cc(F)ccc1Cl ZINC000125442043 1122317466 /nfs/dbraw/zinc/31/74/66/1122317466.db2.gz ZWDJXNMGLDSKOE-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM CCc1ccc(C(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)s1 ZINC000916748324 1122345765 /nfs/dbraw/zinc/34/57/65/1122345765.db2.gz BRDVFVLKJFABIQ-UHFFFAOYSA-N -1 0 345.445 3.582 20 0 EHADRM Cc1ncc(C(=O)[O-])cc1C(=O)N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000630114225 1122354314 /nfs/dbraw/zinc/35/43/14/1122354314.db2.gz XNZTWKIKTBIBBW-WMZOPIPTSA-N -1 0 338.407 3.544 20 0 EHADRM O=C(Cc1cc(F)ccc1F)Nc1cc(Br)ccc1O ZINC000126429085 1122405649 /nfs/dbraw/zinc/40/56/49/1122405649.db2.gz NWLWIFJPQZCSMA-UHFFFAOYSA-N -1 0 342.139 3.614 20 0 EHADRM CCCCn1ncc(NC(=O)c2cc(F)cc(Cl)c2[O-])c1C ZINC000127323026 1122477411 /nfs/dbraw/zinc/47/74/11/1122477411.db2.gz GWYBWHVNYJMGRO-UHFFFAOYSA-N -1 0 325.771 3.742 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)c1 ZINC000498012014 1122725725 /nfs/dbraw/zinc/72/57/25/1122725725.db2.gz LYZCMBQHCHXCKV-UHFFFAOYSA-N -1 0 334.828 3.941 20 0 EHADRM C[C@@H]1CC2(CN1C(=O)c1ccc(Cl)c(Cl)c1[O-])CCOCC2 ZINC000649127358 1122786541 /nfs/dbraw/zinc/78/65/41/1122786541.db2.gz ZZEGPULMFGMJOS-SNVBAGLBSA-N -1 0 344.238 3.730 20 0 EHADRM Cc1ccc2oc(C(=O)[N-]S(=O)(=O)c3ccccc3Cl)cc2c1 ZINC000918480352 1122818539 /nfs/dbraw/zinc/81/85/39/1122818539.db2.gz HMEMFTMHFIEAEW-UHFFFAOYSA-N -1 0 349.795 3.513 20 0 EHADRM CCCOc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000070285892 1122865601 /nfs/dbraw/zinc/86/56/01/1122865601.db2.gz BHRVEIAGDYUZFO-UHFFFAOYSA-N -1 0 325.817 3.930 20 0 EHADRM Cc1c2cc3c(cc2nc2c1C[C@H](C(=O)[O-])c1ccccc1-2)OCO3 ZINC000556275478 1122912720 /nfs/dbraw/zinc/91/27/20/1122912720.db2.gz CEHOJPCVJVNLCI-HNNXBMFYSA-N -1 0 333.343 3.663 20 0 EHADRM Cc1cccc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)c1 ZINC000033635841 1122927952 /nfs/dbraw/zinc/92/79/52/1122927952.db2.gz MFWKCDDDNTYLBK-UHFFFAOYSA-N -1 0 330.453 3.786 20 0 EHADRM COc1cc2c(c(CNc3ccc(C)c(C(=O)[O-])c3)c1)O[C@H](C)C2 ZINC000556322538 1122928701 /nfs/dbraw/zinc/92/87/01/1122928701.db2.gz QFICXGBFDLAEKJ-GFCCVEGCSA-N -1 0 327.380 3.637 20 0 EHADRM O=C(Nc1ccc2[nH]ccc2c1)c1ccc(Br)c([O-])c1 ZINC000133010613 1123329333 /nfs/dbraw/zinc/32/93/33/1123329333.db2.gz BOXCPWCUNPFRFT-UHFFFAOYSA-N -1 0 331.169 3.888 20 0 EHADRM C[C@@H]1CN(C(=O)CCCc2csc3ccccc23)CC[C@@H]1C(=O)[O-] ZINC000263027249 1123335830 /nfs/dbraw/zinc/33/58/30/1123335830.db2.gz QQSDCCVDRGLBJG-HIFRSBDPSA-N -1 0 345.464 3.793 20 0 EHADRM Cc1ncc(CSc2n[n-]c(=Nc3ccccc3F)s2)s1 ZINC000499318412 1123345640 /nfs/dbraw/zinc/34/56/40/1123345640.db2.gz XJZVGBBFOXLKSZ-UHFFFAOYSA-N -1 0 338.458 3.900 20 0 EHADRM O=C(c1c([O-])cc(F)cc1F)N1CC=C(c2ccc(F)cc2)CC1 ZINC000195289177 1123352109 /nfs/dbraw/zinc/35/21/09/1123352109.db2.gz PFWXJJNULIZKIL-UHFFFAOYSA-N -1 0 333.309 3.739 20 0 EHADRM CCc1ccccc1[N-]S(=O)(=O)c1ccccc1-c1ccno1 ZINC000499338648 1123355406 /nfs/dbraw/zinc/35/54/06/1123355406.db2.gz JVLVCVLZIAFXKM-UHFFFAOYSA-N -1 0 328.393 3.705 20 0 EHADRM C[C@@H](CNC(=O)c1ccc([O-])c(Cl)c1)c1ccc(F)cc1F ZINC000075350116 1123392156 /nfs/dbraw/zinc/39/21/56/1123392156.db2.gz UOBAIVQDHCWEEQ-VIFPVBQESA-N -1 0 325.742 3.857 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCC[C@H]2C)cc1 ZINC000920788775 1123423459 /nfs/dbraw/zinc/42/34/59/1123423459.db2.gz JIALPQDIVWSSAO-ZBFHGGJFSA-N -1 0 337.485 3.660 20 0 EHADRM CC(C)Oc1ccc(Cl)cc1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000236650959 1123443948 /nfs/dbraw/zinc/44/39/48/1123443948.db2.gz QINCHYFFUDJQGW-UHFFFAOYSA-N -1 0 347.798 3.755 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1ccc(C(=O)[O-])o1 ZINC000237321227 1123510724 /nfs/dbraw/zinc/51/07/24/1123510724.db2.gz MKJGRKGOTYAGHH-QMMMGPOBSA-N -1 0 342.178 3.646 20 0 EHADRM COCCC1(CNC(=O)c2c([O-])cc(Cl)cc2Cl)CCC1 ZINC000134305969 1123514892 /nfs/dbraw/zinc/51/48/92/1123514892.db2.gz COUGZVBKMXGHKC-UHFFFAOYSA-N -1 0 332.227 3.636 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000263160674 1123523323 /nfs/dbraw/zinc/52/33/23/1123523323.db2.gz OQYWHDJTPMEMBM-KSZLIROESA-N -1 0 341.382 3.570 20 0 EHADRM O=C(NCCOc1cccc2ccccc21)c1c([O-])cc(F)cc1F ZINC000066047984 1129127383 /nfs/dbraw/zinc/12/73/83/1129127383.db2.gz JYBGQRRLZROAOV-UHFFFAOYSA-N -1 0 343.329 3.632 20 0 EHADRM O=C([O-])c1cccc(C(=O)NCC(c2ccccc2)c2ccccc2)c1 ZINC000238207471 1123570700 /nfs/dbraw/zinc/57/07/00/1123570700.db2.gz KXGGQKHMFGNIRV-UHFFFAOYSA-N -1 0 345.398 3.947 20 0 EHADRM CSCc1cccc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000609466095 1123586431 /nfs/dbraw/zinc/58/64/31/1123586431.db2.gz CGHKJUCVBQNKRC-MRXNPFEDSA-N -1 0 329.421 3.747 20 0 EHADRM CCCC[C@H]1CCC[C@@H]1NC(=O)CSc1n[n-]c(=S)s1 ZINC000175116156 1123598113 /nfs/dbraw/zinc/59/81/13/1123598113.db2.gz XKGCXZQRFKADIX-UWVGGRQHSA-N -1 0 331.532 3.768 20 0 EHADRM O=C(NCCc1nc2ccccc2s1)c1ccc([O-])c(Cl)c1 ZINC000136024537 1123658517 /nfs/dbraw/zinc/65/85/17/1123658517.db2.gz RDKFDJQJYALFHJ-UHFFFAOYSA-N -1 0 332.812 3.628 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(C)cc2C)cnn1CCC(C)C ZINC000137774045 1123776594 /nfs/dbraw/zinc/77/65/94/1123776594.db2.gz UVAADZWUCYCKHU-UHFFFAOYSA-N -1 0 335.473 3.655 20 0 EHADRM Cc1ccc(CCC(=O)N[C@H](CC(=O)[O-])c2ccccc2C)cc1 ZINC000237686140 1123810557 /nfs/dbraw/zinc/81/05/57/1123810557.db2.gz XXABVZLAZWOQGV-GOSISDBHSA-N -1 0 325.408 3.568 20 0 EHADRM O=C([O-])CCCCC(=O)N(CCc1ccccc1)c1ccccc1 ZINC000263347314 1123818502 /nfs/dbraw/zinc/81/85/02/1123818502.db2.gz ZORQMCITQARJTD-UHFFFAOYSA-N -1 0 325.408 3.907 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)N3CCCC[C@@H]3CCC(=O)[O-])c2c1 ZINC000237860230 1123886164 /nfs/dbraw/zinc/88/61/64/1123886164.db2.gz ZHHYHCYDOXZPDV-MRXNPFEDSA-N -1 0 342.439 3.655 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)CCCc1ccc(Cl)cc1 ZINC000237981080 1123932684 /nfs/dbraw/zinc/93/26/84/1123932684.db2.gz BNDNVJMGRCBJSX-MRXNPFEDSA-N -1 0 337.847 3.909 20 0 EHADRM Cc1sc(CC(=O)N=c2cc(-c3cccs3)[nH][nH]2)nc1C(C)C ZINC000616331483 1123984186 /nfs/dbraw/zinc/98/41/86/1123984186.db2.gz FLJAKFGCOMKPBC-UHFFFAOYSA-N -1 0 346.481 3.630 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1cc(C2CC2)nc2ccccc21 ZINC000238130026 1123989490 /nfs/dbraw/zinc/98/94/90/1123989490.db2.gz XPNBREYLVOGSFO-UHFFFAOYSA-N -1 0 340.423 3.877 20 0 EHADRM O=C(Nc1ccc(C2CC2)cc1)c1nc[n-]c1C(=O)c1ccccc1 ZINC000673047843 1129162563 /nfs/dbraw/zinc/16/25/63/1129162563.db2.gz IKEQRADDRMRRAS-UHFFFAOYSA-N -1 0 331.375 3.770 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)Cc1ccc(Cl)s1 ZINC000263545038 1124060657 /nfs/dbraw/zinc/06/06/57/1124060657.db2.gz SVWCNFHSWVPKBK-ZDUSSCGKSA-N -1 0 337.828 3.585 20 0 EHADRM Cc1cccc(C)c1[C@H]1CCCN1C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000617178877 1124095350 /nfs/dbraw/zinc/09/53/50/1124095350.db2.gz SXTJKMBQXFDSJS-CQSZACIVSA-N -1 0 337.379 3.523 20 0 EHADRM O=S(=O)([N-]c1cccc(N2CCCC2)c1)c1cc2ccccc2o1 ZINC000084919801 1124604933 /nfs/dbraw/zinc/60/49/33/1124604933.db2.gz OAWMYLRFLABSRR-UHFFFAOYSA-N -1 0 342.420 3.834 20 0 EHADRM COc1c(F)cc([N-]S(=O)(=O)c2cc3ccccc3o2)cc1F ZINC000084920303 1124605054 /nfs/dbraw/zinc/60/50/54/1124605054.db2.gz QRFRMGYIRVEFTQ-UHFFFAOYSA-N -1 0 339.319 3.520 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCCC[C@@H]2c2cccc(Cl)c2)n1 ZINC000263576317 1124635496 /nfs/dbraw/zinc/63/54/96/1124635496.db2.gz QGOZUDMJGJMUQX-MRXNPFEDSA-N -1 0 344.798 3.801 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)C[C@H](c2ccccc2)C(C)C)c(C)o1 ZINC000181301079 1124737348 /nfs/dbraw/zinc/73/73/48/1124737348.db2.gz ITDNAOQPRWODMO-INIZCTEOSA-N -1 0 349.452 3.531 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H]1C(=O)Nc1ccccc1OCc1ccccc1 ZINC000381210097 1124769366 /nfs/dbraw/zinc/76/93/66/1124769366.db2.gz UELZIVWYVYCNKV-HOTGVXAUSA-N -1 0 339.391 3.705 20 0 EHADRM CC(C)(C(=O)[N-]S(=O)(=O)C=Cc1ccccc1)c1ccccc1 ZINC000069572141 1124903790 /nfs/dbraw/zinc/90/37/90/1124903790.db2.gz WXMSQZWAFKDEMY-BUHFOSPRSA-N -1 0 329.421 3.921 20 0 EHADRM O=C(/C=C/C1CCCC1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000842676920 1125242523 /nfs/dbraw/zinc/24/25/23/1125242523.db2.gz QMOIPPPRFCPKCF-CMDGGOBGSA-N -1 0 348.251 3.545 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCC([C@@H]2CCCCO2)CC1 ZINC000619165196 1125298128 /nfs/dbraw/zinc/29/81/28/1125298128.db2.gz OCXMWOHPWQETMK-HNNXBMFYSA-N -1 0 341.810 3.606 20 0 EHADRM O=S(=O)([N-][C@@H]1CCc2c1cccc2Cl)c1c(F)cccc1F ZINC000619521407 1125359762 /nfs/dbraw/zinc/35/97/62/1125359762.db2.gz WVGYCBDVCVWLQM-CQSZACIVSA-N -1 0 343.782 3.584 20 0 EHADRM N#CC(=C([O-])c1cccc(Cl)n1)c1nc(-c2ccncc2)cs1 ZINC000182941086 1125402312 /nfs/dbraw/zinc/40/23/12/1125402312.db2.gz GEWWWZAYUZEATN-NSHDSACASA-N -1 0 340.795 3.744 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(Oc3ccccc3)cc2)CC[C@@H]1C(=O)[O-] ZINC000262238380 1125415357 /nfs/dbraw/zinc/41/53/57/1125415357.db2.gz OUZHSCWZEAULII-KDOFPFPSSA-N -1 0 339.391 3.662 20 0 EHADRM CC1(C)CN(C(=O)N=c2[n-]nc(C(F)F)s2)[C@@H]1c1ccccc1 ZINC000619933167 1125433251 /nfs/dbraw/zinc/43/32/51/1125433251.db2.gz CZZHEMGIQJJWMO-SNVBAGLBSA-N -1 0 338.383 3.513 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@H]2CCSc3ccc(Cl)cc32)CCC1 ZINC000262569169 1125433937 /nfs/dbraw/zinc/43/39/37/1125433937.db2.gz XEZWBZCRUXNDOP-LBPRGKRZSA-N -1 0 339.844 3.638 20 0 EHADRM C[C@H](CCCC(C)(C)O)Nc1cc(Br)cc(C(=O)[O-])c1 ZINC001168709522 1129306036 /nfs/dbraw/zinc/30/60/36/1129306036.db2.gz WONVJGYYBQAZPS-SNVBAGLBSA-N -1 0 344.249 3.889 20 0 EHADRM CC(C)N(Cc1ccccc1F)C(=O)c1n[n-]c2ccccc2c1=O ZINC000735657448 1131370012 /nfs/dbraw/zinc/37/00/12/1131370012.db2.gz ZLCKHLQNDHLZKB-UHFFFAOYSA-N -1 0 339.370 3.525 20 0 EHADRM Cc1cccc(O)c1C(=O)N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000624930465 1129594416 /nfs/dbraw/zinc/59/44/16/1129594416.db2.gz BBVLLYWEYXDRRA-FXAWDEMLSA-N -1 0 339.435 3.941 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)N(C)[C@@H](C)C3CCCCC3)cc2=O)cc1 ZINC000282393252 1129686630 /nfs/dbraw/zinc/68/66/30/1129686630.db2.gz DTGVKASPDVJZMV-HNNXBMFYSA-N -1 0 341.455 3.515 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)CSCc2ccc(F)cc2)c1 ZINC000392556599 1129717535 /nfs/dbraw/zinc/71/75/35/1129717535.db2.gz IQXLOBCTWPZPKK-UHFFFAOYSA-N -1 0 347.411 3.715 20 0 EHADRM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000625059513 1129719382 /nfs/dbraw/zinc/71/93/82/1129719382.db2.gz AEVBXLIZLJMMMY-HZPDHXFCSA-N -1 0 349.390 3.552 20 0 EHADRM CC(=O)c1ccnc(Cl)c1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212510970 1129870620 /nfs/dbraw/zinc/87/06/20/1129870620.db2.gz MCUCDMNTYGBVTC-UHFFFAOYSA-N -1 0 326.686 3.658 20 0 EHADRM COC(=O)c1cc(Nc2ccc(C(=O)[O-])c(F)c2F)c(Cl)s1 ZINC001212511008 1129871874 /nfs/dbraw/zinc/87/18/74/1129871874.db2.gz NRAULYWMQCXZJJ-UHFFFAOYSA-N -1 0 347.726 3.908 20 0 EHADRM CC(C)c1scnc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000288370998 1129891781 /nfs/dbraw/zinc/89/17/81/1129891781.db2.gz YLRRRGVOLOAVOQ-UHFFFAOYSA-N -1 0 334.825 3.860 20 0 EHADRM CCC(CC)c1n[n-]c(=NCc2cn(C)nc2-c2cccs2)s1 ZINC000347826518 1129892970 /nfs/dbraw/zinc/89/29/70/1129892970.db2.gz UQEYUDRASJZUJY-UHFFFAOYSA-N -1 0 347.513 3.938 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(-c3ccncn3)cs2)c(F)c1F ZINC001212512116 1129920266 /nfs/dbraw/zinc/92/02/66/1129920266.db2.gz VZPGXYRWAWQMLF-UHFFFAOYSA-N -1 0 333.319 3.925 20 0 EHADRM CP(C)(=O)c1ccccc1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212514328 1129925346 /nfs/dbraw/zinc/92/53/46/1129925346.db2.gz NMRIFXKSFXQCCN-UHFFFAOYSA-N -1 0 325.251 3.655 20 0 EHADRM O=C([O-])c1ccc(Nc2cccc3c2CN(C2CC2)C3=O)c(F)c1F ZINC001212515883 1129927860 /nfs/dbraw/zinc/92/78/60/1129927860.db2.gz SZRAHJOUEGFANH-UHFFFAOYSA-N -1 0 344.317 3.525 20 0 EHADRM COc1cc(C(C)=O)c(Nc2ccc(C(=O)[O-])c(F)c2F)cc1F ZINC001212515723 1129927889 /nfs/dbraw/zinc/92/78/89/1129927889.db2.gz KXCOOJLDXVWNEC-UHFFFAOYSA-N -1 0 339.269 3.757 20 0 EHADRM Fc1cc2cccnc2c(CN=c2[n-]nc(CC3CCCCC3)o2)c1 ZINC000347880733 1129972380 /nfs/dbraw/zinc/97/23/80/1129972380.db2.gz MVZMRQHDNXJEFI-UHFFFAOYSA-N -1 0 340.402 3.914 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2nc(C3CC3)cs2)cc1 ZINC000171155004 1130023191 /nfs/dbraw/zinc/02/31/91/1130023191.db2.gz GAQWAJBAFQCEJC-UHFFFAOYSA-N -1 0 326.468 3.543 20 0 EHADRM O=C(N[C@H](c1ccccc1)c1cccnc1)c1c([O-])cc(F)cc1F ZINC000171485314 1130063288 /nfs/dbraw/zinc/06/32/88/1130063288.db2.gz WERNDFBKTPSDFW-GOSISDBHSA-N -1 0 340.329 3.585 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N(C)[C@H]2CCCC[C@H]2C)n1 ZINC000674603321 1130147567 /nfs/dbraw/zinc/14/75/67/1130147567.db2.gz BZGIEWGQRLLDLO-ZBFHGGJFSA-N -1 0 341.455 3.791 20 0 EHADRM CCCOc1cc(CN=c2[n-]nc(CC3CCCC3)o2)ccc1OC ZINC000347896135 1130185661 /nfs/dbraw/zinc/18/56/61/1130185661.db2.gz MTHPSWIVCPUSCS-UHFFFAOYSA-N -1 0 345.443 3.634 20 0 EHADRM CCOC(=O)c1cnc(NC(=O)CC=Cc2ccc(C(C)C)cc2)[n-]1 ZINC001128846765 1130206726 /nfs/dbraw/zinc/20/67/26/1130206726.db2.gz GXKXKZHFQGHOPO-AATRIKPKSA-N -1 0 341.411 3.752 20 0 EHADRM Cc1sc([N-]S(=O)(=O)CCCCF)nc1-c1ccccc1 ZINC000675096363 1130250489 /nfs/dbraw/zinc/25/04/89/1130250489.db2.gz UBNMLVQFUANXOY-UHFFFAOYSA-N -1 0 328.434 3.610 20 0 EHADRM Cc1nc([N-]S(=O)(=O)CCCCF)sc1Cc1ccccc1 ZINC000675098367 1130251006 /nfs/dbraw/zinc/25/10/06/1130251006.db2.gz OJKRRMXVTYSVFT-UHFFFAOYSA-N -1 0 342.461 3.534 20 0 EHADRM CCC[C@@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1ccc(F)cc1F ZINC000675149563 1130264715 /nfs/dbraw/zinc/26/47/15/1130264715.db2.gz OVTZYIBCNJQWDA-DVOMOZLQSA-N -1 0 337.366 3.589 20 0 EHADRM CCC[C@@H](NC(=O)c1sc2cccc(C)c2c1Cl)c1nnn[n-]1 ZINC000675145190 1130266214 /nfs/dbraw/zinc/26/62/14/1130266214.db2.gz JHMNKHPJASPOCR-SECBINFHSA-N -1 0 349.847 3.647 20 0 EHADRM CC1(C)Cc2cc(NC(=O)C[C@@H](C(=O)[O-])c3ccccc3)ccc2O1 ZINC000675220732 1130286729 /nfs/dbraw/zinc/28/67/29/1130286729.db2.gz CDUNSWWTRLGUAL-MRXNPFEDSA-N -1 0 339.391 3.597 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccn([C@@H](C)c3ccccc3)n2)s1 ZINC000675284579 1130303220 /nfs/dbraw/zinc/30/32/20/1130303220.db2.gz FSHQRTPBDHXSSA-ZDUSSCGKSA-N -1 0 347.465 3.663 20 0 EHADRM CCc1cccc([N-]S(=O)(=O)c2sccc2OC)c1CC ZINC000486101791 1130458700 /nfs/dbraw/zinc/45/87/00/1130458700.db2.gz ZGUFPYXLHQZHHI-UHFFFAOYSA-N -1 0 325.455 3.682 20 0 EHADRM CCC(CC)(CC(=O)NC[C@H](C)Oc1ccccc1Cl)C(=O)[O-] ZINC000675723973 1130462371 /nfs/dbraw/zinc/46/23/71/1130462371.db2.gz ZCUHYAVCNPWPFT-LBPRGKRZSA-N -1 0 341.835 3.505 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)NCCc1ccc(-c2ccccc2)cc1 ZINC000675723451 1130462447 /nfs/dbraw/zinc/46/24/47/1130462447.db2.gz STDXSBBFWYKDEQ-VQTJNVASSA-N -1 0 349.430 3.679 20 0 EHADRM C[C@@H](C(=O)N(CCC(=O)[O-])CC1CC1)c1ccc(Cl)c(Cl)c1 ZINC000675972241 1130512135 /nfs/dbraw/zinc/51/21/35/1130512135.db2.gz SJSPSNHMFVLDOM-SNVBAGLBSA-N -1 0 344.238 3.810 20 0 EHADRM O=C([O-])Cn1ccc2cc(NC(=O)C[C@H]3CCc4ccccc43)ccc21 ZINC000676016924 1130517769 /nfs/dbraw/zinc/51/77/69/1130517769.db2.gz AFPGKUABCQXTAT-OAHLLOKOSA-N -1 0 348.402 3.785 20 0 EHADRM CC(C)[C@H](C(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1cccc(Cl)c1 ZINC000676217944 1130546613 /nfs/dbraw/zinc/54/66/13/1130546613.db2.gz FOHKEIKYARJTLE-GUYCJALGSA-N -1 0 337.847 3.793 20 0 EHADRM O=C(Nc1ccccc1)Nc1cccc(C[N-]C(=O)C(F)(F)F)c1 ZINC000727854703 1130602103 /nfs/dbraw/zinc/60/21/03/1130602103.db2.gz PHKIWWXCEZXQSB-UHFFFAOYSA-N -1 0 337.301 3.509 20 0 EHADRM CC[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1)C(C)C ZINC000729885198 1130652811 /nfs/dbraw/zinc/65/28/11/1130652811.db2.gz RTIKMWWQZBVLGR-AWEZNQCLSA-N -1 0 333.453 3.717 20 0 EHADRM Cc1cccc2c1CCN(C(=O)c1cccc(Br)c1[O-])C2 ZINC000730285077 1130693347 /nfs/dbraw/zinc/69/33/47/1130693347.db2.gz HULVNEDIKDLLFT-UHFFFAOYSA-N -1 0 346.224 3.662 20 0 EHADRM O=C([O-])c1cc(/C=C/c2ncc[nH]2)nc2ccc(Br)cc21 ZINC000731159089 1130774301 /nfs/dbraw/zinc/77/43/01/1130774301.db2.gz MDFLBPJQAOYKIB-DUXPYHPUSA-N -1 0 344.168 3.589 20 0 EHADRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc2cnccc21)CC(C)(C)C ZINC000731771143 1130839840 /nfs/dbraw/zinc/83/98/40/1130839840.db2.gz PUIKGOBPEAJJBT-ZDUSSCGKSA-N -1 0 348.468 3.502 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)c2n[n-]c3ccccc3c2=O)c1 ZINC000732277112 1130905172 /nfs/dbraw/zinc/90/51/72/1130905172.db2.gz AIISTPGXIKMGOF-GFCCVEGCSA-N -1 0 337.379 3.765 20 0 EHADRM CCN(Cc1ccc(Cl)cc1)C(=O)c1n[n-]c2ccccc2c1=O ZINC000732267986 1130906893 /nfs/dbraw/zinc/90/68/93/1130906893.db2.gz ATCAWBZAUIODIJ-UHFFFAOYSA-N -1 0 341.798 3.651 20 0 EHADRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)CCc1ccc(C(C)C)cc1 ZINC000732903466 1130971816 /nfs/dbraw/zinc/97/18/16/1130971816.db2.gz CMXIEHVZODACFJ-OAHLLOKOSA-N -1 0 339.501 3.625 20 0 EHADRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cc2c(cccc2F)s1 ZINC000732904182 1130972222 /nfs/dbraw/zinc/97/22/22/1130972222.db2.gz HTLGVVPKWMHXDU-SNVBAGLBSA-N -1 0 343.445 3.536 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)c1sc2ccc(F)cc2c1C ZINC000733713976 1131073860 /nfs/dbraw/zinc/07/38/60/1131073860.db2.gz QRQXUUNGBIWMLO-UHFFFAOYSA-N -1 0 343.445 3.597 20 0 EHADRM O=C(Nc1ccnc(-c2ccccc2)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000347943651 1131097158 /nfs/dbraw/zinc/09/71/58/1131097158.db2.gz VNWFTZTWTUEEKU-UHFFFAOYSA-N -1 0 341.370 3.842 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)CC2CCCC2)cc1 ZINC000734079212 1131194190 /nfs/dbraw/zinc/19/41/90/1131194190.db2.gz NPJLUFKOWDIORB-CQSZACIVSA-N -1 0 337.485 3.660 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)c2cc3cccc(F)c3o2)cc1 ZINC000738560639 1131471248 /nfs/dbraw/zinc/47/12/48/1131471248.db2.gz VGVOKNFYTXWVMW-RMKNXTFCSA-N -1 0 325.295 3.922 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)[N-]S(=O)(=O)c2ccccc2C)cc1 ZINC000739138573 1131493423 /nfs/dbraw/zinc/49/34/23/1131493423.db2.gz UMCRTZOPHQJZKE-OAHLLOKOSA-N -1 0 345.464 3.556 20 0 EHADRM C[C@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1ccccc1C(C)(C)C ZINC000742029747 1131685034 /nfs/dbraw/zinc/68/50/34/1131685034.db2.gz IJFTUYACAYCRRE-CYBMUJFWSA-N -1 0 347.484 3.952 20 0 EHADRM CCO[N-]C(=O)C1(c2cccc(Br)c2)CCCCC1 ZINC000742512516 1131746248 /nfs/dbraw/zinc/74/62/48/1131746248.db2.gz ZABRNUFIHDURGF-UHFFFAOYSA-N -1 0 326.234 3.719 20 0 EHADRM CCCCCC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)CC ZINC000743752227 1131972626 /nfs/dbraw/zinc/97/26/26/1131972626.db2.gz YJZYOWFKASNPHI-CQSZACIVSA-N -1 0 340.489 3.537 20 0 EHADRM C[C@@H](C(=O)[N-]S(=O)(=O)/C=C\c1ccccc1)c1cccc(Cl)c1 ZINC000744009475 1132007676 /nfs/dbraw/zinc/00/76/76/1132007676.db2.gz RNFASIASGOUAAA-BSYHEUMXSA-N -1 0 349.839 3.560 20 0 EHADRM CC(=O)c1ccc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])cc1 ZINC001173896906 1132166552 /nfs/dbraw/zinc/16/65/52/1132166552.db2.gz JAPXFRITPYJYCH-UHFFFAOYSA-N -1 0 325.773 3.533 20 0 EHADRM CN(C)C(=O)c1ccc(Nc2c(Cl)c(F)[n-]c(=O)c2Cl)cc1 ZINC001174004217 1132200537 /nfs/dbraw/zinc/20/05/37/1132200537.db2.gz DSINTSYCJUMDMT-UHFFFAOYSA-N -1 0 344.173 3.679 20 0 EHADRM O=S(=O)([O-])c1ccc2ccc(Nc3ccc4c(c3)CCO4)cc2c1 ZINC001174011995 1132203310 /nfs/dbraw/zinc/20/33/10/1132203310.db2.gz QBEVMKVYCWGYME-UHFFFAOYSA-N -1 0 341.388 3.765 20 0 EHADRM Cn1ccc2cc(Nc3cc(S(=O)(=O)[O-])ccc3Cl)ccc21 ZINC001174099898 1132228017 /nfs/dbraw/zinc/22/80/17/1132228017.db2.gz YQRYNUVDQFOOQW-UHFFFAOYSA-N -1 0 336.800 3.822 20 0 EHADRM CCCn1cc([N-]c2onc(-c3ccccc3)c2C(=O)OCC)cn1 ZINC001174220475 1132289396 /nfs/dbraw/zinc/28/93/96/1132289396.db2.gz DVUXONFPSWXFER-UHFFFAOYSA-N -1 0 340.383 3.868 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccn2)c(C)c1 ZINC000182947612 1132311757 /nfs/dbraw/zinc/31/17/57/1132311757.db2.gz ALGZRXINPZPYTR-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccn2)cc1C ZINC000182947876 1132311942 /nfs/dbraw/zinc/31/19/42/1132311942.db2.gz UXYANBAXNLIJIU-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM CCCC[C@H](CC)CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000745967267 1132340452 /nfs/dbraw/zinc/34/04/52/1132340452.db2.gz ITEQWSYWRSAKOU-ZDUSSCGKSA-N -1 0 329.437 3.546 20 0 EHADRM Cc1ncc(Nc2cccc(/C=C/C(=O)[O-])c2)cc1Br ZINC001174494829 1132371372 /nfs/dbraw/zinc/37/13/72/1132371372.db2.gz HVZFCAGPAMYJBG-AATRIKPKSA-N -1 0 333.185 3.994 20 0 EHADRM CC(C)(C)c1nc2ccc(Nc3cccc(/C=C/C(=O)[O-])c3)cn2n1 ZINC001174496021 1132372073 /nfs/dbraw/zinc/37/20/73/1132372073.db2.gz AHSCCFIVKIHZDS-JXMROGBWSA-N -1 0 336.395 3.868 20 0 EHADRM Cc1ccc(OCCNC(=O)c2ccc3[n-]c(=S)oc3c2)c(C)c1 ZINC000746102580 1132372262 /nfs/dbraw/zinc/37/22/62/1132372262.db2.gz CBPXFOFUIJRBBQ-UHFFFAOYSA-N -1 0 342.420 3.542 20 0 EHADRM CO[C@@H]1CCOc2c(Nc3cccc(/C=C/C(=O)[O-])c3)cccc21 ZINC001174497434 1132372844 /nfs/dbraw/zinc/37/28/44/1132372844.db2.gz RKHBLHZQIHHWRR-KBOKABMXSA-N -1 0 325.364 3.998 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2ccc(-n3ccccc3=O)cc2)c1 ZINC001174499098 1132372931 /nfs/dbraw/zinc/37/29/31/1132372931.db2.gz AGPDDYZWLQPVRV-KPKJPENVSA-N -1 0 332.359 3.679 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)c2ccc3[n-]c(=S)oc3c2)s1 ZINC000746284299 1132398337 /nfs/dbraw/zinc/39/83/37/1132398337.db2.gz HYPZEHAAPAYXOL-SECBINFHSA-N -1 0 332.450 3.847 20 0 EHADRM CCN(CC)C(=O)c1ccc(NC(=O)c2c([O-])cccc2Cl)cc1 ZINC000746297534 1132401233 /nfs/dbraw/zinc/40/12/33/1132401233.db2.gz ZYMMBBXOVKHJKP-UHFFFAOYSA-N -1 0 346.814 3.780 20 0 EHADRM CCO[C@@H]1C[C@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)C12CCCC2 ZINC000184460405 1132410052 /nfs/dbraw/zinc/41/00/52/1132410052.db2.gz MLIUSOUKGVHZFA-UONOGXRCSA-N -1 0 341.810 3.652 20 0 EHADRM COc1cc(Nc2ncc(C)cc2Br)ccc1C(=O)[O-] ZINC001174678536 1132434100 /nfs/dbraw/zinc/43/41/00/1132434100.db2.gz GETDVHDDLHMWHH-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM COC(=O)c1cc(Nc2ccc(C(=O)[O-])c(OC)c2)c(Cl)s1 ZINC001174680847 1132434612 /nfs/dbraw/zinc/43/46/12/1132434612.db2.gz DSKWDEHXZMTAOQ-UHFFFAOYSA-N -1 0 341.772 3.639 20 0 EHADRM COc1cc(Nc2c(C)nccc2Br)ccc1C(=O)[O-] ZINC001174683437 1132435752 /nfs/dbraw/zinc/43/57/52/1132435752.db2.gz YGCPYQPZEHHIAX-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM COc1cc(Nc2cccc(C(F)(F)F)c2O)ccc1C(=O)[O-] ZINC001174687923 1132436479 /nfs/dbraw/zinc/43/64/79/1132436479.db2.gz LEMCREIRLDHIHU-UHFFFAOYSA-N -1 0 327.258 3.861 20 0 EHADRM COc1cc(Nc2ccccc2C2=NC(C)(C)CO2)ccc1C(=O)[O-] ZINC001174688287 1132436988 /nfs/dbraw/zinc/43/69/88/1132436988.db2.gz TZODNPJGRLYRPP-UHFFFAOYSA-N -1 0 340.379 3.692 20 0 EHADRM CCC(F)(F)c1ccccc1NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001174772197 1132461519 /nfs/dbraw/zinc/46/15/19/1132461519.db2.gz IWTPOJYDQIEFTQ-UHFFFAOYSA-N -1 0 333.294 3.683 20 0 EHADRM CCOC(=O)c1cnc2cc(Nc3ccc(C(=O)[O-])s3)ccc2c1 ZINC001174808978 1132479037 /nfs/dbraw/zinc/47/90/37/1132479037.db2.gz XPYLGJMGSCLUCG-UHFFFAOYSA-N -1 0 342.376 3.915 20 0 EHADRM Cc1ccc(Nc2cc(Cl)c(C)cc2S(=O)(=O)[O-])cc1N ZINC001174937144 1132512580 /nfs/dbraw/zinc/51/25/80/1132512580.db2.gz YLDHIPPSDQANEW-UHFFFAOYSA-N -1 0 326.805 3.529 20 0 EHADRM COc1ccc(-c2nnsc2Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC001174952443 1132516866 /nfs/dbraw/zinc/51/68/66/1132516866.db2.gz ZRYCDVNRHLFMOD-UHFFFAOYSA-N -1 0 341.392 3.584 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1cc(Br)c(F)cc1N ZINC001174981940 1132534230 /nfs/dbraw/zinc/53/42/30/1132534230.db2.gz JMHMYMSYDGXOBF-UHFFFAOYSA-N -1 0 339.164 3.921 20 0 EHADRM CCOC(=O)c1nc(Cl)sc1Nc1cc(C(=O)[O-])ccc1C ZINC001174981393 1132534349 /nfs/dbraw/zinc/53/43/49/1132534349.db2.gz CNWQPVSSSMDQAM-UHFFFAOYSA-N -1 0 340.788 3.723 20 0 EHADRM O=C(Nc1cc(CC2CC2)[nH]n1)c1cc(Cl)cc(Cl)c1[O-] ZINC001174983671 1132535289 /nfs/dbraw/zinc/53/52/89/1132535289.db2.gz AWMYTWBRYPJCPR-UHFFFAOYSA-N -1 0 326.183 3.627 20 0 EHADRM COC(=O)c1cc(F)c(Nc2cc(C(=O)[O-])ccc2C)c(C)c1F ZINC001174985033 1132536530 /nfs/dbraw/zinc/53/65/30/1132536530.db2.gz ZGHBHOIKAWEYSS-UHFFFAOYSA-N -1 0 335.306 3.810 20 0 EHADRM CCOC(=O)c1nc(C2CC2)oc1[N-]c1c(F)ccc(F)c1F ZINC001175028080 1132541848 /nfs/dbraw/zinc/54/18/48/1132541848.db2.gz KEWANJXBRXSIQD-UHFFFAOYSA-N -1 0 326.274 3.890 20 0 EHADRM O=C([O-])c1ccc(Nc2ncc(Br)cc2F)cc1F ZINC001175154340 1132568830 /nfs/dbraw/zinc/56/88/30/1132568830.db2.gz KKYXZNYAIBXMID-UHFFFAOYSA-N -1 0 329.100 3.564 20 0 EHADRM Cc1cnc(Br)cc1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175154749 1132568871 /nfs/dbraw/zinc/56/88/71/1132568871.db2.gz RWLOIHDMWJDLAL-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(OC3CCOCC3)c(F)c2)cc1F ZINC001175159658 1132571753 /nfs/dbraw/zinc/57/17/53/1132571753.db2.gz CVBLXGKYOZOYJH-UHFFFAOYSA-N -1 0 349.333 3.964 20 0 EHADRM CC(=O)c1ccccc1Nc1ccc(S(=O)(=O)[O-])cc1Cl ZINC001175181416 1132589789 /nfs/dbraw/zinc/58/97/89/1132589789.db2.gz OUNMDPUWGFWDAC-UHFFFAOYSA-N -1 0 325.773 3.533 20 0 EHADRM Nc1cn(-c2ccc(F)c(C(=O)[O-])c2)c2ccc(Br)cc12 ZINC001175219623 1132597654 /nfs/dbraw/zinc/59/76/54/1132597654.db2.gz BKDPZVZQVLTVLF-UHFFFAOYSA-N -1 0 349.159 3.813 20 0 EHADRM COC(=O)c1oc2ccccc2c1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175217118 1132597704 /nfs/dbraw/zinc/59/77/04/1132597704.db2.gz MOPRHNYERRKTPE-UHFFFAOYSA-N -1 0 329.283 3.800 20 0 EHADRM O=C([O-])c1cc(Nc2cc(F)cnc2Br)ccc1F ZINC001175216033 1132598053 /nfs/dbraw/zinc/59/80/53/1132598053.db2.gz SBIKVRLFKUJEAN-UHFFFAOYSA-N -1 0 329.100 3.564 20 0 EHADRM Nc1cc(F)c(Br)cc1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175220173 1132598595 /nfs/dbraw/zinc/59/85/95/1132598595.db2.gz LNXPQZASICKOAY-UHFFFAOYSA-N -1 0 343.127 3.751 20 0 EHADRM CCc1ncc(Br)cc1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175219979 1132598719 /nfs/dbraw/zinc/59/87/19/1132598719.db2.gz HQGAOUMLZMPFKA-UHFFFAOYSA-N -1 0 339.164 3.987 20 0 EHADRM CCOc1ccc(Nc2c(C)cc(C)cc2S(=O)(=O)[O-])c(F)c1 ZINC001175253366 1132599551 /nfs/dbraw/zinc/59/95/51/1132599551.db2.gz GRPZJOPPUWQHDO-UHFFFAOYSA-N -1 0 339.388 3.832 20 0 EHADRM CCOC(=O)CCc1ccc(Nc2ccc(F)c(C(=O)[O-])c2)cc1F ZINC001175222513 1132599874 /nfs/dbraw/zinc/59/98/74/1132599874.db2.gz ZSAKQTPWVNDIMD-UHFFFAOYSA-N -1 0 349.333 3.902 20 0 EHADRM Cc1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(-n3ccc(=O)[nH]3)cc2)cc1C ZINC001168922570 1132606263 /nfs/dbraw/zinc/60/62/63/1132606263.db2.gz OSJKEQYDSAPUJI-RBUKOAKNSA-N -1 0 347.418 3.937 20 0 EHADRM CCOC(=O)c1c(C)nsc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175314311 1132634597 /nfs/dbraw/zinc/63/45/97/1132634597.db2.gz RRMOXBRYZYPTEI-UHFFFAOYSA-N -1 0 340.788 3.723 20 0 EHADRM COc1ncc(C)cc1Nc1ccc2ccccc2c1S(=O)(=O)[O-] ZINC001175338751 1132643112 /nfs/dbraw/zinc/64/31/12/1132643112.db2.gz HEYNYTIFLRBVAE-UHFFFAOYSA-N -1 0 344.392 3.542 20 0 EHADRM Cc1ccc2n[nH]cc2c1Nc1ccc(Cl)cc1S(=O)(=O)[O-] ZINC001175526374 1132700908 /nfs/dbraw/zinc/70/09/08/1132700908.db2.gz NCSVLPFPPDQMDS-UHFFFAOYSA-N -1 0 337.788 3.515 20 0 EHADRM O=c1[n-]cnc(NC=Cc2ccc(Cl)cc2)c1Br ZINC001175597092 1132706935 /nfs/dbraw/zinc/70/69/35/1132706935.db2.gz KMVWATIMUZXBDE-AATRIKPKSA-N -1 0 326.581 3.681 20 0 EHADRM CCOc1ncc(Nc2ccc([C@@H](C(=O)[O-])C(C)(C)C)cc2)cn1 ZINC001175559247 1132710693 /nfs/dbraw/zinc/71/06/93/1132710693.db2.gz UZRUMTJWXZHWSW-HNNXBMFYSA-N -1 0 329.400 3.833 20 0 EHADRM Nc1ncc([N-]c2nc3cc(Cl)ccc3o2)c(C(F)(F)F)n1 ZINC001175675040 1132735745 /nfs/dbraw/zinc/73/57/45/1132735745.db2.gz ZWRCAWDWONFUND-UHFFFAOYSA-N -1 0 329.669 3.616 20 0 EHADRM Cc1cc(Cl)cc(C(=O)Nc2nccc(Br)c2[O-])c1 ZINC001169383151 1132742968 /nfs/dbraw/zinc/74/29/68/1132742968.db2.gz PNHWPMWSGUPNSN-UHFFFAOYSA-N -1 0 341.592 3.764 20 0 EHADRM O=S(=O)([O-])c1c(Nc2cnn(C3CCC3)c2)ccc2ccccc21 ZINC001175761993 1132759342 /nfs/dbraw/zinc/75/93/42/1132759342.db2.gz YBBAFACQFAXGHM-UHFFFAOYSA-N -1 0 343.408 3.752 20 0 EHADRM Cc1sc2nc(C(F)(F)F)nc(NCc3cc(=O)[n-]o3)c2c1C ZINC001169484742 1132765149 /nfs/dbraw/zinc/76/51/49/1132765149.db2.gz XSPRVVPZZXTLST-UHFFFAOYSA-N -1 0 344.318 3.633 20 0 EHADRM O=C([O-])c1cncc(Nc2ccc(F)c(F)c2Br)c1 ZINC001175842135 1132773436 /nfs/dbraw/zinc/77/34/36/1132773436.db2.gz QNMMMQJMWKJOAO-UHFFFAOYSA-N -1 0 329.100 3.564 20 0 EHADRM O=C([O-])c1cncc(Nc2ccc(Br)c3ccncc23)c1 ZINC001175842694 1132773862 /nfs/dbraw/zinc/77/38/62/1132773862.db2.gz FHDMMDWBHWMZSS-UHFFFAOYSA-N -1 0 344.168 3.834 20 0 EHADRM O=c1cc(Nc2cccc3c2cnn3[C@H]2CCCCO2)nc(Cl)[n-]1 ZINC001176314338 1132912014 /nfs/dbraw/zinc/91/20/14/1132912014.db2.gz MHGJGRPTULKCLW-OAHLLOKOSA-N -1 0 345.790 3.628 20 0 EHADRM O=C([O-])c1cc(Nc2cccc(C(=O)Nc3cccnc3)c2)cs1 ZINC001176439472 1132929583 /nfs/dbraw/zinc/92/95/83/1132929583.db2.gz WTJVZZYPOOZRIE-UHFFFAOYSA-N -1 0 339.376 3.837 20 0 EHADRM CN1C(=O)CC(C)(C)c2cc(Nc3csc(C(=O)[O-])c3)ccc21 ZINC001176440975 1132930181 /nfs/dbraw/zinc/93/01/81/1132930181.db2.gz UKIXNGSVLWQYHF-UHFFFAOYSA-N -1 0 330.409 3.834 20 0 EHADRM O=C([O-])c1cc(Nc2ccc(I)cc2)cs1 ZINC001176439395 1132930197 /nfs/dbraw/zinc/93/01/97/1132930197.db2.gz USNOCYAASSIEBD-UHFFFAOYSA-N -1 0 345.161 3.795 20 0 EHADRM C/C(=C\C(=O)NCc1cccc(C(=O)[O-])c1)c1ccccc1Cl ZINC000767099052 1132944383 /nfs/dbraw/zinc/94/43/83/1132944383.db2.gz RGMLAJIKBDMZQL-FMIVXFBMSA-N -1 0 329.783 3.758 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)CCc2cccc(F)c2F)cc1 ZINC000767093933 1132948861 /nfs/dbraw/zinc/94/88/61/1132948861.db2.gz YJABYHNFAPTGOQ-WDZFZDKYSA-N -1 0 331.318 3.634 20 0 EHADRM CCCCOc1ccc(-n2[n-]c(=O)c3ccc(N)cc32)c(F)c1F ZINC001176521841 1132956548 /nfs/dbraw/zinc/95/65/48/1132956548.db2.gz GORSHSMAIDSFPN-UHFFFAOYSA-N -1 0 333.338 3.770 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3ccc(N4CCCCC4)nc3)cc2)CC1 ZINC001176581344 1132959619 /nfs/dbraw/zinc/95/96/19/1132959619.db2.gz LJPWCTBAWLBOKE-UHFFFAOYSA-N -1 0 337.423 3.932 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3ccnn3-c3ccc(F)cc3)cc2)CC1 ZINC001176584853 1132960624 /nfs/dbraw/zinc/96/06/24/1132960624.db2.gz RVNIZFKPGGPEMD-UHFFFAOYSA-N -1 0 337.354 3.871 20 0 EHADRM COC(=O)c1cccc(Nc2ccc(/C=C/C(=O)[O-])cc2)c1Cl ZINC001176597985 1132976141 /nfs/dbraw/zinc/97/61/41/1132976141.db2.gz ZVXARCLCEWHAFI-JXMROGBWSA-N -1 0 331.755 3.968 20 0 EHADRM CN1c2cc(Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2C(C)(C)C1=O ZINC001176597797 1132976473 /nfs/dbraw/zinc/97/64/73/1132976473.db2.gz VUFKNTCUQXSDQR-IZZDOVSWSA-N -1 0 336.391 3.782 20 0 EHADRM COc1cc(Br)c(C)nc1Nc1ccc(C(=O)[O-])cc1 ZINC001176710906 1132994989 /nfs/dbraw/zinc/99/49/89/1132994989.db2.gz RFDAXKAVTXPVGS-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)C[C@@H](C)CC(C)C ZINC000767548822 1133017208 /nfs/dbraw/zinc/01/72/08/1133017208.db2.gz IKIAVFDEXHCGFS-NSHDSACASA-N -1 0 331.865 3.526 20 0 EHADRM CC[C@H](C)[C@H]([N-]S(=O)(=O)/C=C/c1ccc(F)cc1)C(F)(F)F ZINC000767604035 1133024421 /nfs/dbraw/zinc/02/44/21/1133024421.db2.gz IWZYANALMCTAMJ-CSQTZDQLSA-N -1 0 339.354 3.693 20 0 EHADRM O=C(Nc1c(Cl)ccc([O-])c1Cl)C(F)(F)c1ccccn1 ZINC001177300154 1133048728 /nfs/dbraw/zinc/04/87/28/1133048728.db2.gz OQLGOHJNGBWHMB-UHFFFAOYSA-N -1 0 333.121 3.825 20 0 EHADRM Cc1nc(CC(=O)Nc2ccc3[n-]c(=S)sc3c2)c(C)s1 ZINC001177270699 1133050897 /nfs/dbraw/zinc/05/08/97/1133050897.db2.gz AZXYYHNBWPWYKJ-UHFFFAOYSA-N -1 0 335.479 3.840 20 0 EHADRM O=C(Nc1nc2c(s1)CSCC2)c1cccc(Cl)c1[O-] ZINC000804360448 1133063619 /nfs/dbraw/zinc/06/36/19/1133063619.db2.gz WKTYNKBXYDTSBT-UHFFFAOYSA-N -1 0 326.830 3.544 20 0 EHADRM Cc1cccnc1CC(=O)Nc1cc(Cl)c(C)c(Cl)c1[O-] ZINC001177461012 1133064780 /nfs/dbraw/zinc/06/47/80/1133064780.db2.gz UDVMVTANEOYPOK-UHFFFAOYSA-N -1 0 325.195 3.892 20 0 EHADRM CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)Nc2ccccc2[S-])C1 ZINC001179485165 1133254470 /nfs/dbraw/zinc/25/44/70/1133254470.db2.gz LICZMEJMYBZLMN-XIKOKIGWSA-N -1 0 348.468 3.561 20 0 EHADRM O=C(CN1CCc2ccccc21)Nc1c(Cl)ccc([O-])c1Cl ZINC001180288754 1133357534 /nfs/dbraw/zinc/35/75/34/1133357534.db2.gz RTCUVZAQSKWKFW-UHFFFAOYSA-N -1 0 337.206 3.700 20 0 EHADRM CCC[C@H](C(=O)c1ccccc1)N(C)C(=O)C1(C(=O)[O-])CCCCC1 ZINC001180437765 1133370700 /nfs/dbraw/zinc/37/07/00/1133370700.db2.gz DWUTVOXXTSEKID-MRXNPFEDSA-N -1 0 345.439 3.532 20 0 EHADRM Cc1ccn(-c2ccccc2NC(=O)c2c([O-])cccc2Cl)n1 ZINC000769986303 1133373230 /nfs/dbraw/zinc/37/32/30/1133373230.db2.gz PUTGYHHCLLPNPR-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM C[S@@](=O)(=NC(=O)c1cc(F)c([O-])c(Cl)c1)c1cccc(F)c1 ZINC001180567055 1133392986 /nfs/dbraw/zinc/39/29/86/1133392986.db2.gz BELNKAXJVPFSMV-QFIPXVFZSA-N -1 0 345.754 3.621 20 0 EHADRM CCc1ccc([O-])c(C(=O)N=[S@](C)(=O)c2cccc(Cl)c2)c1 ZINC001180602099 1133398472 /nfs/dbraw/zinc/39/84/72/1133398472.db2.gz FHNVGYBCZKQDLD-JOCHJYFZSA-N -1 0 337.828 3.905 20 0 EHADRM Cc1[nH]nc(NC(=O)c2cccc(F)c2[O-])c1-c1cccc(F)c1 ZINC001181941921 1133553836 /nfs/dbraw/zinc/55/38/36/1133553836.db2.gz QAQCGDQMBDVCIN-UHFFFAOYSA-N -1 0 329.306 3.621 20 0 EHADRM O=C(Cc1ccc([S-])cc1)Nc1nc2ccccc2nc1Cl ZINC001183186215 1133776999 /nfs/dbraw/zinc/77/69/99/1133776999.db2.gz IUOOOZSXUDFDLG-UHFFFAOYSA-N -1 0 329.812 3.753 20 0 EHADRM O=C(Cc1ccc([S-])cc1)N[C@H]1CCc2[nH]c3ccccc3c2C1 ZINC001183190772 1133777377 /nfs/dbraw/zinc/77/73/77/1133777377.db2.gz ZIUHRDKAWGOMAE-AWEZNQCLSA-N -1 0 336.460 3.673 20 0 EHADRM CC(C)[C@@H](CO)[C@H](NC(=O)c1c([O-])cc(Cl)cc1Cl)C(C)C ZINC001183495061 1133816235 /nfs/dbraw/zinc/81/62/35/1133816235.db2.gz KKKNMELWFOVTRE-IAQYHMDHSA-N -1 0 348.270 3.718 20 0 EHADRM CC[C@@H]1CCCC[C@H]1CNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC001183610239 1133827638 /nfs/dbraw/zinc/82/76/38/1133827638.db2.gz GBJVIMPVJQLKOV-YPMHNXCESA-N -1 0 345.468 3.570 20 0 EHADRM Cc1ccc([C@@H](O)C(=O)Nc2cc(Cl)c(C)c(Cl)c2[O-])cc1 ZINC001183647296 1133835572 /nfs/dbraw/zinc/83/55/72/1133835572.db2.gz VMBUQHSXXSONQS-CQSZACIVSA-N -1 0 340.206 3.988 20 0 EHADRM CCCC(C)(C)CC(=O)[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000786468640 1133850733 /nfs/dbraw/zinc/85/07/33/1133850733.db2.gz GHLDGNDVBBLDSW-UHFFFAOYSA-N -1 0 325.474 3.831 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]C(=O)C[C@@H](C)c1ccccc1C ZINC000786654249 1133881339 /nfs/dbraw/zinc/88/13/39/1133881339.db2.gz KXTSMRXBNHUPAU-OAHLLOKOSA-N -1 0 345.464 3.556 20 0 EHADRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)c1 ZINC000746599725 1133892624 /nfs/dbraw/zinc/89/26/24/1133892624.db2.gz AFJCUAIJSNKLNV-UHFFFAOYSA-N -1 0 346.452 3.821 20 0 EHADRM CC(C)CC[C@H](C)NS(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC001184523522 1133948244 /nfs/dbraw/zinc/94/82/44/1133948244.db2.gz FHLMILTXPPBGQH-JTQLQIEISA-N -1 0 339.379 3.514 20 0 EHADRM O=S(=O)([N-]c1cccc(-c2ccccn2)c1)c1cccnc1Cl ZINC001184875213 1134001073 /nfs/dbraw/zinc/00/10/73/1134001073.db2.gz JDQOVDCRHCPWMQ-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)/C=C\c1ccccc1O[C@@H](C)CC ZINC000746692903 1134019899 /nfs/dbraw/zinc/01/98/99/1134019899.db2.gz GVFXLZAYFKSVLW-HRFGFKIASA-N -1 0 333.428 3.589 20 0 EHADRM Cc1ccc(-c2ccc([N-]S(=O)(=O)c3ccsc3)cn2)cc1 ZINC001185350766 1134070149 /nfs/dbraw/zinc/07/01/49/1134070149.db2.gz LBZZXLRTCZWATM-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM O=S(=O)(Nc1ccc(Cc2cccnc2)cc1)c1ccsc1 ZINC001185390444 1134077091 /nfs/dbraw/zinc/07/70/91/1134077091.db2.gz GQCMNZVUPITGHO-UHFFFAOYSA-N -1 0 330.434 3.535 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccccc2C(=O)C(F)(F)F)c1 ZINC000788091917 1134079028 /nfs/dbraw/zinc/07/90/28/1134079028.db2.gz ZLXRKMDSOPSNFX-UHFFFAOYSA-N -1 0 343.326 3.541 20 0 EHADRM C[C@H](O)c1cccc([N-]S(=O)(=O)c2cc3ccccc3s2)c1 ZINC001185421215 1134081752 /nfs/dbraw/zinc/08/17/52/1134081752.db2.gz LUFYOKBZQJQBOL-NSHDSACASA-N -1 0 333.434 3.755 20 0 EHADRM COc1cc(F)ccc1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185460768 1134091982 /nfs/dbraw/zinc/09/19/82/1134091982.db2.gz VGXQVHVWSZHVNR-UHFFFAOYSA-N -1 0 337.397 3.850 20 0 EHADRM C[C@@H](O)c1ccccc1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185464104 1134093021 /nfs/dbraw/zinc/09/30/21/1134093021.db2.gz MHEZYXPZQJHDFL-LLVKDONJSA-N -1 0 333.434 3.755 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cnc3cccc(O)c3c2)ccc1Cl ZINC001185495893 1134098986 /nfs/dbraw/zinc/09/89/86/1134098986.db2.gz CVDREPKYKCDVLZ-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM CC(=O)c1ccc(C)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1 ZINC001185530093 1134103881 /nfs/dbraw/zinc/10/38/81/1134103881.db2.gz RYJNVRUXNWAGCW-UHFFFAOYSA-N -1 0 337.828 3.960 20 0 EHADRM CC(C)C[C@H](C(=O)[O-])N(C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000788314498 1134113109 /nfs/dbraw/zinc/11/31/09/1134113109.db2.gz DXRQISRKPWMROB-GFCCVEGCSA-N -1 0 333.215 3.956 20 0 EHADRM Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1ccc(Cl)nc1C ZINC000788490497 1134131916 /nfs/dbraw/zinc/13/19/16/1134131916.db2.gz IBIQVNLYDYGRDY-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM COCCC1(CNC(=O)c2cccc([S-])c2)CCC(F)(F)CC1 ZINC001186162992 1134172265 /nfs/dbraw/zinc/17/22/65/1134172265.db2.gz GANWSLHJGLUTSN-UHFFFAOYSA-N -1 0 343.439 3.937 20 0 EHADRM Cc1cc(NC(=O)c2cccc([S-])c2)n(Cc2ccccc2F)n1 ZINC001186130737 1134173131 /nfs/dbraw/zinc/17/31/31/1134173131.db2.gz YLAXYNIMSGHWCV-UHFFFAOYSA-N -1 0 341.411 3.920 20 0 EHADRM CC[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)C1CCCCC1 ZINC001186286069 1134193387 /nfs/dbraw/zinc/19/33/87/1134193387.db2.gz KDFZLCOZOBAPAN-AWEZNQCLSA-N -1 0 335.391 3.741 20 0 EHADRM O=S(=O)(/C=C/c1ccc(F)cc1)[N-]CC(F)(F)c1ccccc1 ZINC000788918756 1134193585 /nfs/dbraw/zinc/19/35/85/1134193585.db2.gz YTJJSRHCKPMOQI-ZHACJKMWSA-N -1 0 341.354 3.508 20 0 EHADRM O=S(=O)([N-]c1cc(C(F)(F)F)no1)c1csc2ccccc21 ZINC001186451833 1134214638 /nfs/dbraw/zinc/21/46/38/1134214638.db2.gz LKKCKIYKPNBNOP-UHFFFAOYSA-N -1 0 348.327 3.709 20 0 EHADRM O=S(=O)([N-]c1snc2cccnc21)c1csc2ccccc12 ZINC001186464115 1134225039 /nfs/dbraw/zinc/22/50/39/1134225039.db2.gz OISLBMXWUPCUIL-UHFFFAOYSA-N -1 0 347.446 3.707 20 0 EHADRM O=S(=O)([N-]c1ccno1)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC001186608200 1134236254 /nfs/dbraw/zinc/23/62/54/1134236254.db2.gz WAPJSLJDUYDNKH-UHFFFAOYSA-N -1 0 334.784 3.796 20 0 EHADRM O=S(=O)([N-]c1c(Cl)cccc1OC(F)(F)F)c1ccco1 ZINC001186855727 1134269293 /nfs/dbraw/zinc/26/92/93/1134269293.db2.gz BUEREXBEOZQUBI-UHFFFAOYSA-N -1 0 341.694 3.632 20 0 EHADRM Cc1oncc1S(=O)(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC001187375801 1134329580 /nfs/dbraw/zinc/32/95/80/1134329580.db2.gz BUWAQZRLNQNLMB-UHFFFAOYSA-N -1 0 341.603 3.744 20 0 EHADRM CN(C)S(=O)(=O)c1cccc(Nc2ccc(Cl)cc2[S-])c1 ZINC001203278742 1134352616 /nfs/dbraw/zinc/35/26/16/1134352616.db2.gz PBYMJIYXVSHHQH-UHFFFAOYSA-N -1 0 342.873 3.623 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cccc3ocnc32)c1C ZINC000790005792 1134358204 /nfs/dbraw/zinc/35/82/04/1134358204.db2.gz WJPXLITYINJPKK-UHFFFAOYSA-N -1 0 330.409 3.862 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc(C)c1F ZINC001187966895 1134412273 /nfs/dbraw/zinc/41/22/73/1134412273.db2.gz KYNRMTKIGIJJBP-UHFFFAOYSA-N -1 0 349.214 3.945 20 0 EHADRM COc1ccc(OC)c(NC(=O)Nc2cc(O)c(Cl)cc2F)c1 ZINC001188341763 1134453178 /nfs/dbraw/zinc/45/31/78/1134453178.db2.gz XFEHZFFJBUENMQ-UHFFFAOYSA-N -1 0 340.738 3.846 20 0 EHADRM Cc1nocc1[N-]S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1 ZINC001188429266 1134462233 /nfs/dbraw/zinc/46/22/33/1134462233.db2.gz GJULSGSPCRDWDL-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM CCCOc1nc(C)ccc1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000790782442 1134464405 /nfs/dbraw/zinc/46/44/05/1134464405.db2.gz NDHBFCJOCHHFDZ-UHFFFAOYSA-N -1 0 343.408 3.861 20 0 EHADRM COC1CCC(CCNC(=O)c2ccc([O-])c(C(F)(F)F)c2)CC1 ZINC001188587749 1134485386 /nfs/dbraw/zinc/48/53/86/1134485386.db2.gz AFYBCSPTMOWJIN-UHFFFAOYSA-N -1 0 345.361 3.736 20 0 EHADRM Cc1cc(NC(=O)OC(C)(C)C)ccc1NC(=O)c1ccncc1[O-] ZINC001188636749 1134492604 /nfs/dbraw/zinc/49/26/04/1134492604.db2.gz HJXAAXXTYPIBCF-UHFFFAOYSA-N -1 0 343.383 3.695 20 0 EHADRM COc1ccc(NC(=O)Nc2cc(-c3ccco3)no2)cc1OC ZINC001188766670 1134506065 /nfs/dbraw/zinc/50/60/65/1134506065.db2.gz DGKUOXFCCZNVBR-UHFFFAOYSA-N -1 0 329.312 3.596 20 0 EHADRM CO[C@H]1CCOc2c(NC(=O)c3c([O-])cccc3Cl)cccc21 ZINC000791094581 1134509130 /nfs/dbraw/zinc/50/91/30/1134509130.db2.gz ASJNRQVWQPTOCP-AWEZNQCLSA-N -1 0 333.771 3.768 20 0 EHADRM O=S(=O)(CC1CC1)[N-]c1cccc(F)c1OC1CCCCC1 ZINC001188976456 1134522094 /nfs/dbraw/zinc/52/20/94/1134522094.db2.gz JLXDKSRXQPAJPT-UHFFFAOYSA-N -1 0 327.421 3.689 20 0 EHADRM CC[C@@](C)([N-]S(=O)(=O)/C=C\c1cccc(Cl)c1)C(F)(F)F ZINC000775210380 1134525086 /nfs/dbraw/zinc/52/50/86/1134525086.db2.gz USOVVEJQLDEQMA-QDZRJHCZSA-N -1 0 341.782 3.961 20 0 EHADRM O=C(Nc1cc(=O)[n-]c(Cl)n1)Nc1cc(Cl)ccc1Cl ZINC001188968930 1134526721 /nfs/dbraw/zinc/52/67/21/1134526721.db2.gz SHQHDGXUCLYTFM-UHFFFAOYSA-N -1 0 333.562 3.786 20 0 EHADRM O=S(=O)([N-]c1cccc2ocnc21)c1ccc(F)c2ccccc21 ZINC001189390368 1134579125 /nfs/dbraw/zinc/57/91/25/1134579125.db2.gz VUJLTJLPDHYIEK-UHFFFAOYSA-N -1 0 342.351 3.921 20 0 EHADRM CCC[C@H](C)c1cc([N-]S(=O)(=O)Cc2cccc(F)c2F)on1 ZINC001189420078 1134585847 /nfs/dbraw/zinc/58/58/47/1134585847.db2.gz ODDQKQWLEFSZKC-JTQLQIEISA-N -1 0 344.383 3.798 20 0 EHADRM CC(C)Oc1ccccc1[N-]S(=O)(=O)Cc1cccc(F)c1F ZINC001189455085 1134589917 /nfs/dbraw/zinc/58/99/17/1134589917.db2.gz ZPLJNLBZMJNQDY-UHFFFAOYSA-N -1 0 341.379 3.694 20 0 EHADRM O=S(=O)(Cc1cc(F)ccc1F)[N-]c1nc2ccccc2s1 ZINC001189643849 1134604922 /nfs/dbraw/zinc/60/49/22/1134604922.db2.gz JHKLPCFMTTZHJV-UHFFFAOYSA-N -1 0 340.376 3.516 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)c2scc(C)c2Cl)c(C)s1 ZINC000791788432 1134611256 /nfs/dbraw/zinc/61/12/56/1134611256.db2.gz KQXPRQDJJVVERY-UHFFFAOYSA-N -1 0 349.886 3.507 20 0 EHADRM CC[C@H](C)[C@H]([N-]S(=O)(=O)CC12CCC(CC1)CC2)C(F)(F)F ZINC001189740203 1134619273 /nfs/dbraw/zinc/61/92/73/1134619273.db2.gz HLJOXLHTNYPZHX-AHPWVWPOSA-N -1 0 341.439 3.853 20 0 EHADRM Cc1nn(-c2ccccc2)cc1NC(=O)c1cccc(Cl)c1[O-] ZINC000781374681 1134631220 /nfs/dbraw/zinc/63/12/20/1134631220.db2.gz YRYNBWZCWCTJMI-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM Cc1ccnc(Br)c1Nc1ccc(C(=O)[O-])cc1F ZINC001203286366 1134631898 /nfs/dbraw/zinc/63/18/98/1134631898.db2.gz OQORJCXDOKPYSZ-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM O=C(NC1(C(F)(F)F)CC1)c1cc(Br)ccc1[S-] ZINC001189969166 1134638190 /nfs/dbraw/zinc/63/81/90/1134638190.db2.gz HXOWFNFUHKZYFD-UHFFFAOYSA-N -1 0 340.164 3.563 20 0 EHADRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1cnc2ccccc2c1)CC(C)(C)C ZINC000791958522 1134638708 /nfs/dbraw/zinc/63/87/08/1134638708.db2.gz QJJGLTKYRQRJQG-ZDUSSCGKSA-N -1 0 348.468 3.502 20 0 EHADRM Cc1cc(Nc2ccc(C(=O)[O-])cc2F)cnc1Br ZINC001203286597 1134639998 /nfs/dbraw/zinc/63/99/98/1134639998.db2.gz VSCUVQIHEPYRRL-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM C[C@H](NC(=O)c1cc(Br)ccc1[S-])c1ccncc1 ZINC001189950997 1134641649 /nfs/dbraw/zinc/64/16/49/1134641649.db2.gz HXMIBDOJMSNZPR-VIFPVBQESA-N -1 0 337.242 3.624 20 0 EHADRM CC[C@@H](C)c1ccc([N-]S(=O)(=O)c2ncc(F)cc2F)cc1 ZINC001190133946 1134659981 /nfs/dbraw/zinc/65/99/81/1134659981.db2.gz LYGWQQXXEUAJIT-SNVBAGLBSA-N -1 0 326.368 3.674 20 0 EHADRM CCCCc1ccc([N-]S(=O)(=O)c2ncc(F)cc2F)cc1 ZINC001190184800 1134664068 /nfs/dbraw/zinc/66/40/68/1134664068.db2.gz WRRCWVVAHASIOU-UHFFFAOYSA-N -1 0 326.368 3.503 20 0 EHADRM Cc1cccc2cccc([N-]S(=O)(=O)c3ncc(F)cc3F)c12 ZINC001190193871 1134665656 /nfs/dbraw/zinc/66/56/56/1134665656.db2.gz AOJWHHFDRRBHDH-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM CCc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)n1 ZINC001190295152 1134682052 /nfs/dbraw/zinc/68/20/52/1134682052.db2.gz QCUBUJUEUQXISK-UHFFFAOYSA-N -1 0 348.321 3.603 20 0 EHADRM Cc1noc(-c2ccccc2)c1NC(=O)Nc1ncc(F)cc1[O-] ZINC001190341283 1134685822 /nfs/dbraw/zinc/68/58/22/1134685822.db2.gz HPSNMWORYQJTQK-UHFFFAOYSA-N -1 0 328.303 3.534 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)ccc1F)c1cc(F)cc(F)c1F ZINC001190388828 1134689391 /nfs/dbraw/zinc/68/93/91/1134689391.db2.gz ZXNDMZKZQXNSAO-UHFFFAOYSA-N -1 0 339.697 3.697 20 0 EHADRM C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000792531405 1134694238 /nfs/dbraw/zinc/69/42/38/1134694238.db2.gz BPNKMQPOMQPZHG-IONNQARKSA-N -1 0 330.331 3.529 20 0 EHADRM Cc1ccc(F)cc1[C@H](C)NS(=O)(=O)c1cc(F)cc(F)c1F ZINC001190413162 1134696076 /nfs/dbraw/zinc/69/60/76/1134696076.db2.gz NXIRKCDHUAUSLL-VIFPVBQESA-N -1 0 347.333 3.591 20 0 EHADRM O=S(=O)(Nc1cc(Cl)ccc1CO)c1ccc(C2CC2)cc1 ZINC001190505470 1134708138 /nfs/dbraw/zinc/70/81/38/1134708138.db2.gz ADZUZSZVCGHZQE-UHFFFAOYSA-N -1 0 337.828 3.511 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cccc3c2CCC3)c1 ZINC001191144386 1134812622 /nfs/dbraw/zinc/81/26/22/1134812622.db2.gz CTHJNMAWRUKWQW-UHFFFAOYSA-N -1 0 338.432 3.833 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2noc(C(C)(C)C)n2)cc1 ZINC001191225053 1134830416 /nfs/dbraw/zinc/83/04/16/1134830416.db2.gz QCGRVYHYACZFOJ-UHFFFAOYSA-N -1 0 337.445 3.511 20 0 EHADRM O=S(=O)(CC1CCCC1)[N-]c1cccc(F)c1C(F)(F)F ZINC001191526312 1134880292 /nfs/dbraw/zinc/88/02/92/1134880292.db2.gz DFNURZRERKVCSY-UHFFFAOYSA-N -1 0 325.327 3.776 20 0 EHADRM CC(C)(C)OC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000775467434 1134896746 /nfs/dbraw/zinc/89/67/46/1134896746.db2.gz KXKJWEBMDKCYGY-UHFFFAOYSA-N -1 0 339.438 3.504 20 0 EHADRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc2c(c1)COC2 ZINC001191651424 1134899301 /nfs/dbraw/zinc/89/93/01/1134899301.db2.gz BGUCMIYBEOUQOE-UHFFFAOYSA-N -1 0 347.436 3.650 20 0 EHADRM Cc1ccc(Cl)c(NC(=O)Nc2ccc(S(=O)(=O)[O-])cc2)c1 ZINC001191703466 1134901892 /nfs/dbraw/zinc/90/18/92/1134901892.db2.gz VSTXFJZVSOONHX-UHFFFAOYSA-N -1 0 340.788 3.539 20 0 EHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(C)C)ccc1OC ZINC001191694302 1134907358 /nfs/dbraw/zinc/90/73/58/1134907358.db2.gz GYPSKGJYKBUZDH-UHFFFAOYSA-N -1 0 349.452 3.936 20 0 EHADRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cccc(C)c1O ZINC001191695308 1134908953 /nfs/dbraw/zinc/90/89/53/1134908953.db2.gz OZILESBWGMSKJT-UHFFFAOYSA-N -1 0 335.425 3.633 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(F)c(C)c1C ZINC001191827610 1134932590 /nfs/dbraw/zinc/93/25/90/1134932590.db2.gz BSZVJWJLTOBEMK-UHFFFAOYSA-N -1 0 337.416 3.950 20 0 EHADRM O=S(=O)([N-]c1cccc2ccc(O)cc21)C(Cl)(Cl)Cl ZINC001192034443 1134958025 /nfs/dbraw/zinc/95/80/25/1134958025.db2.gz GMOWMLNWRFVHKM-UHFFFAOYSA-N -1 0 340.615 3.615 20 0 EHADRM O=C(Nc1ccc(OC(F)F)cc1)Nc1ccc(O)c(F)c1F ZINC001192175733 1134981494 /nfs/dbraw/zinc/98/14/94/1134981494.db2.gz VBSLWSJBHOGYCP-UHFFFAOYSA-N -1 0 330.237 3.916 20 0 EHADRM O=C(Nc1ccc(OC(F)F)cc1)Nc1c([O-])cc(F)cc1F ZINC001192176573 1134982322 /nfs/dbraw/zinc/98/23/22/1134982322.db2.gz NQLGVYXGOQQXQJ-UHFFFAOYSA-N -1 0 330.237 3.916 20 0 EHADRM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1nc(C(C)(C)C)cs1 ZINC001192303728 1135002449 /nfs/dbraw/zinc/00/24/49/1135002449.db2.gz MXENGWYFYREGHT-UHFFFAOYSA-N -1 0 345.877 3.598 20 0 EHADRM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC001192302750 1135002701 /nfs/dbraw/zinc/00/27/01/1135002701.db2.gz AYNBPCZXOWKTDA-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM Cc1nocc1S(=O)(=O)NCCc1ccc(C2CCCCC2)cc1 ZINC001192460996 1135022633 /nfs/dbraw/zinc/02/26/33/1135022633.db2.gz YDEYCKSQPWYXOL-UHFFFAOYSA-N -1 0 348.468 3.552 20 0 EHADRM Cc1ccnc2c([N-]S(=O)(=O)c3cnc(Cl)c(C)c3)cccc12 ZINC001192571403 1135030699 /nfs/dbraw/zinc/03/06/99/1135030699.db2.gz GOSJAXWQIPTLLZ-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM O=S(=O)([N-][C@H](C(F)F)C1CCCCC1)c1ccc(Cl)s1 ZINC001192742012 1135049060 /nfs/dbraw/zinc/04/90/60/1135049060.db2.gz ROPFVFPAHFTCAS-NSHDSACASA-N -1 0 343.848 3.894 20 0 EHADRM CCC[C@H](C(=O)c1ccccc1)N(C)C(=O)c1c(F)ccc(F)c1[O-] ZINC001192705674 1135049757 /nfs/dbraw/zinc/04/97/57/1135049757.db2.gz CWFDHHYCYLRZOX-OAHLLOKOSA-N -1 0 347.361 3.794 20 0 EHADRM O=C(Nc1ccccc1-c1ccncc1)c1c(F)ccc(F)c1[O-] ZINC001192716119 1135051548 /nfs/dbraw/zinc/05/15/48/1135051548.db2.gz GVTVYJCQCPAGSI-UHFFFAOYSA-N -1 0 326.302 3.985 20 0 EHADRM O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1c([O-])ccc(F)c1F ZINC001192788025 1135055423 /nfs/dbraw/zinc/05/54/23/1135055423.db2.gz YVCPFOLZMWAPHI-ZDUSSCGKSA-N -1 0 331.240 3.704 20 0 EHADRM COc1ccc(C2=CCN(C(=O)c3cc(F)c([O-])cc3F)CC2)cc1 ZINC001192872684 1135061662 /nfs/dbraw/zinc/06/16/62/1135061662.db2.gz RFYKZZOWIIHKES-UHFFFAOYSA-N -1 0 345.345 3.609 20 0 EHADRM O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1cc(F)c([O-])cc1F ZINC001192877976 1135062656 /nfs/dbraw/zinc/06/26/56/1135062656.db2.gz ZZWAOCSDPXYKQC-ZDUSSCGKSA-N -1 0 331.240 3.704 20 0 EHADRM O=C(N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1)c1ccc([O-])c(F)c1F ZINC001192849159 1135065394 /nfs/dbraw/zinc/06/53/94/1135065394.db2.gz JSHGILUJNLWWCY-CFNLKKDLSA-N -1 0 343.373 3.983 20 0 EHADRM CC(C)(C)C(F)(F)C[N-]S(=O)(=O)Cc1ccc(F)cc1Cl ZINC001192895732 1135069794 /nfs/dbraw/zinc/06/97/94/1135069794.db2.gz NSUBGZQZAPYAAH-UHFFFAOYSA-N -1 0 343.798 3.580 20 0 EHADRM O=S(=O)(c1ccccc1Nc1ccccc1[S-])N1CCCC1 ZINC001192943738 1135074437 /nfs/dbraw/zinc/07/44/37/1135074437.db2.gz IBPDLRLTALSRHX-UHFFFAOYSA-N -1 0 334.466 3.503 20 0 EHADRM O=C(Nc1cc(C2CCCC2)no1)c1cc(Cl)nc(Cl)c1[O-] ZINC001193084294 1135097794 /nfs/dbraw/zinc/09/77/94/1135097794.db2.gz ULDOSDKRMULNGZ-UHFFFAOYSA-N -1 0 342.182 3.992 20 0 EHADRM O=C(Nc1ccccc1-c1ncc[nH]1)c1cc(Cl)nc(Cl)c1[O-] ZINC001193092804 1135106076 /nfs/dbraw/zinc/10/60/76/1135106076.db2.gz CNDIIQTUBPYLTQ-UHFFFAOYSA-N -1 0 349.177 3.736 20 0 EHADRM COc1cc(OC)c(NC(=O)c2ccc(F)c([O-])c2F)cc1Cl ZINC001193771229 1135178027 /nfs/dbraw/zinc/17/80/27/1135178027.db2.gz ZDGRVLOBQBOKFS-UHFFFAOYSA-N -1 0 343.713 3.593 20 0 EHADRM CCN(Cc1cccc(F)c1F)C(=O)c1ccc(F)c([O-])c1F ZINC001193784661 1135180364 /nfs/dbraw/zinc/18/03/64/1135180364.db2.gz QDLYNCVPUCNHJX-UHFFFAOYSA-N -1 0 327.277 3.611 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2ccc3nccnc3c2)c2ccccc12 ZINC001193824973 1135189117 /nfs/dbraw/zinc/18/91/17/1135189117.db2.gz PRWHEMMEKZQUBZ-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM Cc1ccc(CO)cc1NS(=O)(=O)c1ccc(C)c2ccccc21 ZINC001193824604 1135189297 /nfs/dbraw/zinc/18/92/97/1135189297.db2.gz LVCPQNBZQPVNHK-UHFFFAOYSA-N -1 0 341.432 3.750 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccn3ccnc3c2)c2ccccc12 ZINC001193833859 1135190680 /nfs/dbraw/zinc/19/06/80/1135190680.db2.gz IHYKULLEIYVQAC-UHFFFAOYSA-N -1 0 337.404 3.597 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)nc(C)n2)c2ccccc12 ZINC001193833565 1135191103 /nfs/dbraw/zinc/19/11/03/1135191103.db2.gz MWPLUMCWJROUAZ-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM CCOc1ncccc1[N-]S(=O)(=O)c1ccc(C)c2ccccc21 ZINC001193833648 1135191170 /nfs/dbraw/zinc/19/11/70/1135191170.db2.gz FNDYMLJSOCARFX-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccnc(Cl)c2O)c2ccccc12 ZINC001193834914 1135191214 /nfs/dbraw/zinc/19/12/14/1135191214.db2.gz VNRVPEFITYHWSL-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM CC(C)(C)CS(=O)(=O)[N-][C@H](c1cccc(Cl)c1)C(F)F ZINC001194052758 1135222407 /nfs/dbraw/zinc/22/24/07/1135222407.db2.gz HIVJKYURDFJCDN-LLVKDONJSA-N -1 0 325.808 3.612 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)s1)c1ccc(C(F)(F)F)cn1 ZINC001194269280 1135253224 /nfs/dbraw/zinc/25/32/24/1135253224.db2.gz YSLMDWXKZNGUAS-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cc2c(c(Cl)c1)OCO2 ZINC000805260515 1135254428 /nfs/dbraw/zinc/25/44/28/1135254428.db2.gz UNAMLTKBRJBGNL-UHFFFAOYSA-N -1 0 344.125 3.819 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cccc3c(Cl)cccc32)nc1 ZINC001194403858 1135264754 /nfs/dbraw/zinc/26/47/54/1135264754.db2.gz MWPGUONJVLYTDX-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM O=S(=O)([N-]c1cccc(F)c1)c1cccc2c(Cl)nccc21 ZINC001194454441 1135269823 /nfs/dbraw/zinc/26/98/23/1135269823.db2.gz AXLOTXQZCWDUBP-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM Cc1ccnc(C)c1[N-]S(=O)(=O)c1cccc2c(Cl)nccc21 ZINC001194458471 1135270119 /nfs/dbraw/zinc/27/01/19/1135270119.db2.gz JXLBJWVLWPOFHP-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM CCCc1ccc([N-]S(=O)(=O)c2ncccc2C(F)(F)F)cc1 ZINC001194524543 1135281301 /nfs/dbraw/zinc/28/13/01/1135281301.db2.gz SZCJVXKFXLUGDF-UHFFFAOYSA-N -1 0 344.358 3.854 20 0 EHADRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1c(C)cccc1C ZINC001194603159 1135291178 /nfs/dbraw/zinc/29/11/78/1135291178.db2.gz PLKVWZFXBHDNCD-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1cccc2cc(F)cnc21 ZINC001194644348 1135296166 /nfs/dbraw/zinc/29/61/66/1135296166.db2.gz QZMWIPMKSSUEHL-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM Cc1cc(=O)c(COC(=O)c2coc3ccc(C(C)C)cc23)n[n-]1 ZINC000805920684 1135350100 /nfs/dbraw/zinc/35/01/00/1135350100.db2.gz USQIPARWQZUPLX-UHFFFAOYSA-N -1 0 326.352 3.717 20 0 EHADRM CCc1ccc(O)c([N-]S(=O)(=O)c2c(C)cccc2Cl)c1 ZINC001195308702 1135410961 /nfs/dbraw/zinc/41/09/61/1135410961.db2.gz QWMLEFKZNCJLSC-UHFFFAOYSA-N -1 0 325.817 3.717 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2c(C)cccc2Cl)ccc1F ZINC001195308403 1135411105 /nfs/dbraw/zinc/41/11/05/1135411105.db2.gz MEAIEDOKXBWQEH-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CC(C)(NC(=O)c1c([O-])c(F)c(F)c(F)c1F)c1cccc(F)c1 ZINC001195311463 1135411524 /nfs/dbraw/zinc/41/15/24/1135411524.db2.gz SLEPNIKNAKTWLO-UHFFFAOYSA-N -1 0 345.267 3.753 20 0 EHADRM COCc1cccc([N-]S(=O)(=O)c2c(C)cccc2Cl)c1 ZINC001195310267 1135411973 /nfs/dbraw/zinc/41/19/73/1135411973.db2.gz WKMOBUNZQBSUFW-UHFFFAOYSA-N -1 0 325.817 3.596 20 0 EHADRM O=C(NCc1sccc1Cl)c1c([O-])c(F)c(F)c(F)c1F ZINC001195311165 1135411991 /nfs/dbraw/zinc/41/19/91/1135411991.db2.gz OJKWBIDQCUBVGM-UHFFFAOYSA-N -1 0 339.697 3.594 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc2oc(=O)ccc2c1 ZINC001195316902 1135413752 /nfs/dbraw/zinc/41/37/52/1135413752.db2.gz XOIIJHLZASRJIY-UHFFFAOYSA-N -1 0 349.795 3.556 20 0 EHADRM CON(CC(C)(C)C)C(=O)N=c1[n-]nc(Cc2ccc(C)cc2)s1 ZINC000806263278 1135419501 /nfs/dbraw/zinc/41/95/01/1135419501.db2.gz HLFDFJJXASIMQB-UHFFFAOYSA-N -1 0 348.472 3.879 20 0 EHADRM COCCN(Cc1ccc(C)cc1C)C(=O)c1cccc(Cl)c1[O-] ZINC000775656931 1135429005 /nfs/dbraw/zinc/42/90/05/1135429005.db2.gz QMHPKCSIPBAIPY-UHFFFAOYSA-N -1 0 347.842 3.951 20 0 EHADRM O=C(Nc1ccccc1[S-])c1ccc(C(=O)N2CCCCC2)cc1 ZINC001195502274 1135434852 /nfs/dbraw/zinc/43/48/52/1135434852.db2.gz SEUHSTRTZMYQRX-UHFFFAOYSA-N -1 0 340.448 3.854 20 0 EHADRM COc1ccc(/C=C\c2ncc(/C=C/C(=O)[O-])s2)c(C)c1OC ZINC000806573531 1135463289 /nfs/dbraw/zinc/46/32/89/1135463289.db2.gz LWWZHHKYRGVZBP-LDFAFZTOSA-N -1 0 331.393 3.737 20 0 EHADRM O=S(=O)(NCc1ccc(-c2ccsc2)cc1)c1ccc(O)cc1 ZINC001195824927 1135476970 /nfs/dbraw/zinc/47/69/70/1135476970.db2.gz FDILPWDQVVITCR-UHFFFAOYSA-N -1 0 345.445 3.599 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)cc1C ZINC000775679375 1135503381 /nfs/dbraw/zinc/50/33/81/1135503381.db2.gz YTKZIJSDOMKFRR-PRDAAYKISA-N -1 0 337.420 3.714 20 0 EHADRM COc1ccccc1C1(CNC(=O)c2cccc(Cl)c2[O-])CC1 ZINC000775686017 1135513828 /nfs/dbraw/zinc/51/38/28/1135513828.db2.gz BKAJXHCLNBWRBO-UHFFFAOYSA-N -1 0 331.799 3.516 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2c(O)cccc2C(F)(F)F)c(F)c1 ZINC001196382160 1135552631 /nfs/dbraw/zinc/55/26/31/1135552631.db2.gz DNMHFBRZJJJUKF-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc3cc(Cl)ccc3c2)nc1 ZINC001196412198 1135560216 /nfs/dbraw/zinc/56/02/16/1135560216.db2.gz LEGOUKXYZXJOQN-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM COc1cncc([N-]S(=O)(=O)c2ccc3cc(Cl)ccc3c2)c1 ZINC001196416594 1135560872 /nfs/dbraw/zinc/56/08/72/1135560872.db2.gz LQMZFPQSNNBULN-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM CCc1nccnc1[N-]S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC001196416613 1135560914 /nfs/dbraw/zinc/56/09/14/1135560914.db2.gz MSHIJAMKGBUNEY-UHFFFAOYSA-N -1 0 347.827 3.646 20 0 EHADRM Cc1n[nH]c2cc(NC(=O)c3cc(Cl)c(F)cc3[O-])cc(F)c12 ZINC001196467243 1135564092 /nfs/dbraw/zinc/56/40/92/1135564092.db2.gz OFBNSMNHSVRGKE-UHFFFAOYSA-N -1 0 337.713 3.761 20 0 EHADRM O=C(N[C@H](c1ncccc1F)C1CC1)c1cc(Cl)c(F)cc1[O-] ZINC001196478118 1135566043 /nfs/dbraw/zinc/56/60/43/1135566043.db2.gz OGHQNRWCOQTUOY-AWEZNQCLSA-N -1 0 338.741 3.600 20 0 EHADRM COc1ccccc1[C@H]1CCN(C(=O)c2cc(Cl)c(F)cc2[O-])C1 ZINC001196452652 1135569396 /nfs/dbraw/zinc/56/93/96/1135569396.db2.gz FZNMNLOEWUCURR-NSHDSACASA-N -1 0 349.789 3.823 20 0 EHADRM O=C(c1cc(Cl)c(F)cc1[O-])N1CC[C@@H](c2ccccc2F)C1 ZINC001196463028 1135570633 /nfs/dbraw/zinc/57/06/33/1135570633.db2.gz MUCUQBNFPLUGKV-SNVBAGLBSA-N -1 0 337.753 3.954 20 0 EHADRM COc1ccc(F)c(S(=O)(=O)[N-]c2cccc3c2CCCC3)c1 ZINC001196761472 1135602620 /nfs/dbraw/zinc/60/26/20/1135602620.db2.gz OBOMLYKOMXRNJZ-UHFFFAOYSA-N -1 0 335.400 3.514 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2cnc3c(F)cccc3c2)cc1 ZINC001197084786 1135644257 /nfs/dbraw/zinc/64/42/57/1135644257.db2.gz VXRAWLBPGJCBHC-UHFFFAOYSA-N -1 0 341.367 3.881 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N2CCC[C@@H](c3ccccc3)C2)cc1 ZINC001197095535 1135645050 /nfs/dbraw/zinc/64/50/50/1135645050.db2.gz HEDKZOYDVGWUPP-MRXNPFEDSA-N -1 0 340.448 3.961 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N2CCCC[C@H]2c2cccnc2)cc1 ZINC001197096097 1135645516 /nfs/dbraw/zinc/64/55/16/1135645516.db2.gz SFSFJFKXXYEEFB-INIZCTEOSA-N -1 0 341.436 3.704 20 0 EHADRM C[C@@H](CCc1ccccc1)NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197069885 1135646949 /nfs/dbraw/zinc/64/69/49/1135646949.db2.gz RJGQRKOMZVCWLZ-ZDUSSCGKSA-N -1 0 328.437 3.693 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NCc2ccc(F)c(Cl)c2)cc1 ZINC001197129419 1135648032 /nfs/dbraw/zinc/64/80/32/1135648032.db2.gz XZWOWUBHFYSYPO-UHFFFAOYSA-N -1 0 338.791 3.664 20 0 EHADRM CCOc1ccc(NC(=S)Nc2ccc(C(=O)[O-])cc2)c(F)c1 ZINC001197112914 1135650837 /nfs/dbraw/zinc/65/08/37/1135650837.db2.gz XLJIQUHPQACRMD-UHFFFAOYSA-N -1 0 334.372 3.732 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2ccc3c(c2)[C@H](O)CCC3)cc1 ZINC001197114995 1135651341 /nfs/dbraw/zinc/65/13/41/1135651341.db2.gz IBBJWWKCTTXBMR-MRXNPFEDSA-N -1 0 342.420 3.563 20 0 EHADRM O=S(=O)(/C=C\c1cccc(Cl)c1)[N-][C@H](C1CC1)C(F)(F)F ZINC000808328271 1135653068 /nfs/dbraw/zinc/65/30/68/1135653068.db2.gz NANHELRENANPLG-ZHRWSRJISA-N -1 0 339.766 3.571 20 0 EHADRM CC(C)(CO)[C@H](CNC(=O)c1cccc(Cl)c1[O-])c1ccccc1 ZINC000775781524 1135722505 /nfs/dbraw/zinc/72/25/05/1135722505.db2.gz OCFJAZKJEJKXLW-OAHLLOKOSA-N -1 0 347.842 3.578 20 0 EHADRM Cc1noc(C)c1[N-]S(=O)(=O)Cc1cccc(Cl)c1Cl ZINC001197725790 1135730620 /nfs/dbraw/zinc/73/06/20/1135730620.db2.gz KIHVPEKVFFOPLC-UHFFFAOYSA-N -1 0 335.212 3.540 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2ccc(OCC3CCCC3)cc2)c1 ZINC001197998697 1135760317 /nfs/dbraw/zinc/76/03/17/1135760317.db2.gz GLHPPDBVUWIEHI-UHFFFAOYSA-N -1 0 346.452 3.760 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2cccc(C(F)F)c2Cl)c1 ZINC001198005195 1135760913 /nfs/dbraw/zinc/76/09/13/1135760913.db2.gz BMHNFBJXNSXLBI-UHFFFAOYSA-N -1 0 332.759 3.782 20 0 EHADRM [O-]c1cc(F)cnc1NC(=S)Nc1ccccc1OC(F)(F)F ZINC001198142190 1135783423 /nfs/dbraw/zinc/78/34/23/1135783423.db2.gz SNQNPKJVZQIZNN-UHFFFAOYSA-N -1 0 347.293 3.634 20 0 EHADRM O=S(=O)(N[C@@H](CC1CC1)c1ccccc1)c1cccc(Cl)n1 ZINC001198260527 1135787625 /nfs/dbraw/zinc/78/76/25/1135787625.db2.gz ZVCJODRXVWZCFJ-AWEZNQCLSA-N -1 0 336.844 3.555 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cccc(Cl)n2)cc1C(C)C ZINC001198233125 1135789894 /nfs/dbraw/zinc/78/98/94/1135789894.db2.gz IHPQAQMCXXBFHF-UHFFFAOYSA-N -1 0 340.832 3.668 20 0 EHADRM O=C([N-][C@@H](C1CC1)C(F)(F)F)C(F)(F)c1cccc(Cl)c1 ZINC000809315613 1135818755 /nfs/dbraw/zinc/81/87/55/1135818755.db2.gz RKHDEJWISVXTGQ-JTQLQIEISA-N -1 0 327.680 3.889 20 0 EHADRM COC(=O)c1cc(C)sc1Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203316044 1135820369 /nfs/dbraw/zinc/82/03/69/1135820369.db2.gz HGVFPJDOUVKWAR-UHFFFAOYSA-N -1 0 327.308 3.563 20 0 EHADRM Cc1ccc(C(C)C)cc1NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198782103 1135852531 /nfs/dbraw/zinc/85/25/31/1135852531.db2.gz CFZQTCCDOZWLKB-UHFFFAOYSA-N -1 0 333.409 3.617 20 0 EHADRM O=C([N-]c1nnc(C2CCCCC2)s1)c1c(F)ccc(O)c1F ZINC000809580065 1135854030 /nfs/dbraw/zinc/85/40/30/1135854030.db2.gz FBLHWWGLAJMAMI-UHFFFAOYSA-N -1 0 339.367 3.822 20 0 EHADRM CC[C@@H](C)[C@@H](C)C(=O)Nc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC001131875671 1135889546 /nfs/dbraw/zinc/88/95/46/1135889546.db2.gz BCJSJXVAQBJOOX-NXEZZACHSA-N -1 0 348.340 3.625 20 0 EHADRM CCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000776101284 1135956282 /nfs/dbraw/zinc/95/62/82/1135956282.db2.gz COLAGHRVKGMEKQ-CYBMUJFWSA-N -1 0 331.503 3.776 20 0 EHADRM Cc1c([N-]c2nnc(Br)s2)cnn1-c1ccccc1 ZINC001201362518 1136008597 /nfs/dbraw/zinc/00/85/97/1136008597.db2.gz LARVCXJNNACBNW-UHFFFAOYSA-N -1 0 336.218 3.538 20 0 EHADRM Cc1c(Cl)cc(NC(=O)c2cc3cccn3cn2)c([O-])c1Cl ZINC001201381300 1136014016 /nfs/dbraw/zinc/01/40/16/1136014016.db2.gz CQYWNXAGSCTELG-UHFFFAOYSA-N -1 0 336.178 3.907 20 0 EHADRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1ccc(Cl)c(C)c1 ZINC001201755909 1136060144 /nfs/dbraw/zinc/06/01/44/1136060144.db2.gz HLJUWAWEYQCOHW-UHFFFAOYSA-N -1 0 337.253 3.868 20 0 EHADRM Cc1nc2ccc(NC(=O)c3cc(C(=O)[O-])ccc3Cl)cc2o1 ZINC000811814630 1136144450 /nfs/dbraw/zinc/14/44/50/1136144450.db2.gz NSVODSREHNHZHF-UHFFFAOYSA-N -1 0 330.727 3.740 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)NCC2(c3cccc(F)c3)CC2)c1 ZINC000811819103 1136145644 /nfs/dbraw/zinc/14/56/44/1136145644.db2.gz GJHOWILJDJEOIX-UHFFFAOYSA-N -1 0 347.773 3.639 20 0 EHADRM CO[N-]C(=O)[C@H](Oc1cccc(Cl)c1Cl)c1ccccc1 ZINC000106737404 1136152132 /nfs/dbraw/zinc/15/21/32/1136152132.db2.gz IILALSLFEWTNQT-CQSZACIVSA-N -1 0 326.179 3.791 20 0 EHADRM CC[C@@H](C(=O)[N-]OCCOC(C)C)c1cccc(C(F)(F)F)c1 ZINC000812801921 1136253632 /nfs/dbraw/zinc/25/36/32/1136253632.db2.gz RQPWZHFSVOTOML-CQSZACIVSA-N -1 0 333.350 3.672 20 0 EHADRM O=C([N-]S(=O)(=O)/C=C/c1ccccc1)[C@H]1CC[C@H](C2CCC2)CC1 ZINC000850737384 1136298224 /nfs/dbraw/zinc/29/82/24/1136298224.db2.gz PGRBCFJDHWVHBG-NLVZZENMSA-N -1 0 347.480 3.710 20 0 EHADRM CC(C)(C)c1csc([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)n1 ZINC000747856490 1136336050 /nfs/dbraw/zinc/33/60/50/1136336050.db2.gz HZBAYRXBGNTQKC-CMDGGOBGSA-N -1 0 340.445 3.992 20 0 EHADRM CC(C)(C)c1cnc([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)s1 ZINC000747858930 1136348509 /nfs/dbraw/zinc/34/85/09/1136348509.db2.gz LTDUBSAOOOKNEO-HJWRWDBZSA-N -1 0 340.445 3.992 20 0 EHADRM CCC[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000851247051 1136357361 /nfs/dbraw/zinc/35/73/61/1136357361.db2.gz CNHWVIWPEFUXSN-AWEZNQCLSA-N -1 0 337.441 3.700 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2ccc(/C=C/C(=O)[O-])o2)C1 ZINC000851594007 1136395152 /nfs/dbraw/zinc/39/51/52/1136395152.db2.gz FTSWCJJUXVZBLC-AZHOBDGFSA-N -1 0 339.391 3.704 20 0 EHADRM Cc1nn(C(C)(C)C)cc1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000851598661 1136395508 /nfs/dbraw/zinc/39/55/08/1136395508.db2.gz AYQQJQCWXORUOH-UHFFFAOYSA-N -1 0 335.791 3.550 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)[C@@H]1CCCC2(CC2)C1)c1ccc(F)cc1F ZINC000851600269 1136395742 /nfs/dbraw/zinc/39/57/42/1136395742.db2.gz LCNQHTSQFUMULK-IAQYHMDHSA-N -1 0 337.366 3.567 20 0 EHADRM C/C(=C\C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21)c1cccc(F)c1 ZINC000851619242 1136396137 /nfs/dbraw/zinc/39/61/37/1136396137.db2.gz RZZWFYRIPXDXKP-OLMSDWHISA-N -1 0 345.414 3.721 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2ccccc2C(C)C)n1 ZINC000851616362 1136396258 /nfs/dbraw/zinc/39/62/58/1136396258.db2.gz DMSFDHRQCMQFKF-HNNXBMFYSA-N -1 0 329.400 3.685 20 0 EHADRM CCCc1occc1C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000828138736 1136434497 /nfs/dbraw/zinc/43/44/97/1136434497.db2.gz MRDOZFHEHCAOCC-CQSZACIVSA-N -1 0 335.787 3.831 20 0 EHADRM COc1ccc(C[C@@H](C)C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)cc1 ZINC000776631231 1136493762 /nfs/dbraw/zinc/49/37/62/1136493762.db2.gz FSHJKDAYXPNKBY-YRBHFNIASA-N -1 0 339.391 3.610 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1cccc(C2SCCS2)c1 ZINC000852947228 1136493779 /nfs/dbraw/zinc/49/37/79/1136493779.db2.gz HBFAVIFXYJWNBH-GFCCVEGCSA-N -1 0 339.482 3.851 20 0 EHADRM CC(C)n1cc2cc(NC(=O)C3(C(=O)[O-])CCCCCC3)ccc2n1 ZINC000852942550 1136493858 /nfs/dbraw/zinc/49/38/58/1136493858.db2.gz KDDSFXRLOXYUDV-UHFFFAOYSA-N -1 0 343.427 3.981 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000776631611 1136494224 /nfs/dbraw/zinc/49/42/24/1136494224.db2.gz NFQYMLHJHWZDOH-JLHYYAGUSA-N -1 0 339.391 3.709 20 0 EHADRM C[C@H](CC(=O)N[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-])C1CC1 ZINC000776683084 1136545585 /nfs/dbraw/zinc/54/55/85/1136545585.db2.gz IZYAHSBEASJBMW-OTYXRUKQSA-N -1 0 344.238 3.542 20 0 EHADRM O=C(Nc1nc2c(s1)CCCC2)c1ccc2oc(=S)[n-]c2c1 ZINC000854312552 1136606265 /nfs/dbraw/zinc/60/62/65/1136606265.db2.gz SHGQRXBOIAUHAD-UHFFFAOYSA-N -1 0 331.422 3.704 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1)[C@@H]1CC=CCC1 ZINC000112158986 1136608219 /nfs/dbraw/zinc/60/82/19/1136608219.db2.gz KAHGNJNJOQRWLY-QGZVFWFLSA-N -1 0 341.432 3.515 20 0 EHADRM CC[C@H](C)CO[N-]C(=O)C(=O)Nc1ccc(-c2ccccc2)c(C)c1 ZINC000815711154 1136631902 /nfs/dbraw/zinc/63/19/02/1136631902.db2.gz HGDLYKGLFVBUBR-AWEZNQCLSA-N -1 0 340.423 3.694 20 0 EHADRM CC[C@H](C)CO[N-]C(=O)C(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000815711819 1136631906 /nfs/dbraw/zinc/63/19/06/1136631906.db2.gz AHXISFORVANBTM-AWEZNQCLSA-N -1 0 334.460 3.966 20 0 EHADRM COC(=O)Nc1ccc(NC(=O)c2cc(F)cc(Cl)c2[O-])cc1 ZINC000748024571 1136635150 /nfs/dbraw/zinc/63/51/50/1136635150.db2.gz QVQPYWHZNJOHBS-UHFFFAOYSA-N -1 0 338.722 3.615 20 0 EHADRM O=C(NCCC[C@H]1CC1(Cl)Cl)c1ccc2oc(=S)[n-]c2c1 ZINC000855032718 1136662826 /nfs/dbraw/zinc/66/28/26/1136662826.db2.gz HYBXVAIGFODNQQ-VIFPVBQESA-N -1 0 345.251 3.820 20 0 EHADRM CCCc1ccc(NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])cc1 ZINC001135333308 1136665542 /nfs/dbraw/zinc/66/55/42/1136665542.db2.gz VSSRBCCTDMFENR-UHFFFAOYSA-N -1 0 339.370 3.922 20 0 EHADRM CCC(CC)CC(=O)[N-]S(=O)(=O)[C@H](c1ccccc1)C(C)C ZINC000816108023 1136673748 /nfs/dbraw/zinc/67/37/48/1136673748.db2.gz WESPWCCNANUVQX-KRWDZBQOSA-N -1 0 325.474 3.656 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H](C)CC(C)(C)C ZINC000816107518 1136677239 /nfs/dbraw/zinc/67/72/39/1136677239.db2.gz LDAUFOHBOMRONF-GOEBONIOSA-N -1 0 339.501 3.902 20 0 EHADRM CC[C@@H](C)CCC(=O)[N-]S(=O)(=O)[C@H](c1ccccc1)C(C)C ZINC000816111966 1136677729 /nfs/dbraw/zinc/67/77/29/1136677729.db2.gz KRYFVIRENOPDNS-PBHICJAKSA-N -1 0 325.474 3.656 20 0 EHADRM Cc1cc(C(=O)[N-]S(=O)(=O)[C@@H](c2ccccc2)C(C)C)cs1 ZINC000816113739 1136678190 /nfs/dbraw/zinc/67/81/90/1136678190.db2.gz ZUSYKMSRYUMLKO-OAHLLOKOSA-N -1 0 337.466 3.513 20 0 EHADRM C[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])c1ccccc1 ZINC001135440907 1136689845 /nfs/dbraw/zinc/68/98/45/1136689845.db2.gz KPNCAPAJNPXWQJ-GFCCVEGCSA-N -1 0 341.798 3.722 20 0 EHADRM CC(C)(C)c1nnc([N-]C(=O)c2nc(Cl)sc2Cl)s1 ZINC000816895971 1136762444 /nfs/dbraw/zinc/76/24/44/1136762444.db2.gz XZQURIDUQCILTB-UHFFFAOYSA-N -1 0 337.257 3.851 20 0 EHADRM O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1ccc2oc(=S)[n-]c2c1 ZINC000816951421 1136766454 /nfs/dbraw/zinc/76/64/54/1136766454.db2.gz OCMMZYQGGHVYGA-XOKHGSTOSA-N -1 0 336.416 3.575 20 0 EHADRM CCO[C@H](CNC(=O)c1ccc2oc(=S)[n-]c2c1)c1ccccc1 ZINC000816974069 1136768896 /nfs/dbraw/zinc/76/88/96/1136768896.db2.gz QOABGEKRVBEFKP-MRXNPFEDSA-N -1 0 342.420 3.624 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CC2(CCC2)[C@@H]1c1ccncc1 ZINC000856491226 1136789013 /nfs/dbraw/zinc/78/90/13/1136789013.db2.gz BWEMGXKDEBNMHH-INIZCTEOSA-N -1 0 328.799 3.808 20 0 EHADRM O=C([N-]OCCC1CC1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000817429834 1136809742 /nfs/dbraw/zinc/80/97/42/1136809742.db2.gz JBNUFIJGJMUSGA-UHFFFAOYSA-N -1 0 331.309 3.724 20 0 EHADRM O=C(c1n[n-]c2ccccc2c1=O)N1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000817564937 1136820194 /nfs/dbraw/zinc/82/01/94/1136820194.db2.gz HAAVLQCVEPXVEF-IBGZPJMESA-N -1 0 345.402 3.703 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(SC(F)(F)F)c1 ZINC000856991119 1136830496 /nfs/dbraw/zinc/83/04/96/1136830496.db2.gz ASPPAYPXCWSZBJ-NEPJUHHUSA-N -1 0 347.358 3.672 20 0 EHADRM CN(C(=O)c1ccc2[n-]c(=S)oc2c1)C1CC(OC(C)(C)C)C1 ZINC000817668429 1136830487 /nfs/dbraw/zinc/83/04/87/1136830487.db2.gz QCLUCANFZNYHQT-UHFFFAOYSA-N -1 0 334.441 3.535 20 0 EHADRM Cc1cc(C)c(/C=C/C(=O)N[C@H](C)c2ncc(C(=O)[O-])s2)cc1C ZINC000856993154 1136831175 /nfs/dbraw/zinc/83/11/75/1136831175.db2.gz LDYDEQKMVKZGAG-URWSZGRFSA-N -1 0 344.436 3.657 20 0 EHADRM O=C(Oc1ccc2c(c1)CCCC(=O)N2)c1ccc([O-])c(Cl)c1 ZINC000857477325 1136875355 /nfs/dbraw/zinc/87/53/55/1136875355.db2.gz BULAFSFAZCPGNE-UHFFFAOYSA-N -1 0 331.755 3.540 20 0 EHADRM C[C@@H]1CCC[C@@H](NC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])C1 ZINC001136204135 1136929227 /nfs/dbraw/zinc/92/92/27/1136929227.db2.gz FLIXJVJANXFSEF-DGCLKSJQSA-N -1 0 333.819 3.540 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccc(Oc2cc(Cl)nc(=O)[nH]2)cc1 ZINC000858424986 1136966493 /nfs/dbraw/zinc/96/64/93/1136966493.db2.gz CHTPBUXWDBZFCB-UHFFFAOYSA-N -1 0 337.763 3.975 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@]2(c3ccccc3)CCCO2)c1 ZINC000819978547 1136967780 /nfs/dbraw/zinc/96/77/80/1136967780.db2.gz VDSUUUJTRBENED-HXUWFJFHSA-N -1 0 339.391 3.629 20 0 EHADRM Cc1cc(C=O)c([O-])c(C(=O)Nc2ccc(OC(F)F)c(F)c2)c1 ZINC001136301868 1136975808 /nfs/dbraw/zinc/97/58/08/1136975808.db2.gz PMJXVQDQUKFYMS-UHFFFAOYSA-N -1 0 339.269 3.506 20 0 EHADRM C[C@@]12CCN(C(=O)c3cc(Cl)cc(Cl)c3[O-])C[C@@H]1C2(F)F ZINC000820199091 1136982886 /nfs/dbraw/zinc/98/28/86/1136982886.db2.gz ZVLBODVBAVCJFI-GXFFZTMASA-N -1 0 336.165 3.816 20 0 EHADRM C[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])[C@@H]1C ZINC000820242859 1136983594 /nfs/dbraw/zinc/98/35/94/1136983594.db2.gz ZFWTVVHCODOYJT-CHWSQXEVSA-N -1 0 327.380 3.725 20 0 EHADRM C[C@@H]1CC[C@H](C)N(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])C1 ZINC000820447582 1136992494 /nfs/dbraw/zinc/99/24/94/1136992494.db2.gz YOXCIWJGPRAPNH-OLZOCXBDSA-N -1 0 327.380 3.725 20 0 EHADRM O=C(OCc1ncc(Cl)cc1Cl)c1c(F)cc([O-])cc1F ZINC000777082735 1137001150 /nfs/dbraw/zinc/00/11/50/1137001150.db2.gz PBWDSCFEWJGIGI-UHFFFAOYSA-N -1 0 334.105 3.729 20 0 EHADRM CN(C(=O)Nc1ccc(SC(F)F)cc1)C1(C(=O)[O-])CCCC1 ZINC000797733555 1137003888 /nfs/dbraw/zinc/00/38/88/1137003888.db2.gz DJHPYRYVIBKMNZ-UHFFFAOYSA-N -1 0 344.383 3.862 20 0 EHADRM CC(=O)N(c1ccc(NC(=O)c2cccc(F)c2[O-])cc1)[C@H]1C[C@@H]1C ZINC000820747118 1137004778 /nfs/dbraw/zinc/00/47/78/1137004778.db2.gz MZKUZPFIQCCVQB-GTNSWQLSSA-N -1 0 342.370 3.545 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000013225145 1137058547 /nfs/dbraw/zinc/05/85/47/1137058547.db2.gz VUOWSEWMOZMFNJ-UBHSHLNASA-N -1 0 341.329 3.563 20 0 EHADRM CCC[C@H](C(=O)[N-]S(=O)(=O)C1CCCC1)c1cccc(Cl)c1 ZINC000860595584 1137068150 /nfs/dbraw/zinc/06/81/50/1137068150.db2.gz ZGKCESGWJIFSFZ-HNNXBMFYSA-N -1 0 343.876 3.612 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)N3CCC4(CCC4)CC3)c([O-])c2)o1 ZINC000822890773 1137077437 /nfs/dbraw/zinc/07/74/37/1137077437.db2.gz PRHMHAOZRCZURS-UHFFFAOYSA-N -1 0 339.391 3.871 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000013402946 1137080827 /nfs/dbraw/zinc/08/08/27/1137080827.db2.gz OWRMSWXNLNSLGQ-RMKNXTFCSA-N -1 0 346.180 3.799 20 0 EHADRM CCOc1ccc(SCC(=O)Nc2c(C)cccc2C(=O)[O-])cc1 ZINC000013432954 1137082266 /nfs/dbraw/zinc/08/22/66/1137082266.db2.gz QSKHQJIGCYIXOQ-UHFFFAOYSA-N -1 0 345.420 3.823 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)CCc1ccccc1Cl ZINC000013447902 1137085637 /nfs/dbraw/zinc/08/56/37/1137085637.db2.gz RATYIRLPQYBGGV-UHFFFAOYSA-N -1 0 329.783 3.560 20 0 EHADRM O=C(Nc1nc(Cc2ccccc2)ns1)c1ccc(Cl)c([O-])c1 ZINC001136676855 1137086847 /nfs/dbraw/zinc/08/68/47/1137086847.db2.gz RXOSJHORIOEXBI-UHFFFAOYSA-N -1 0 345.811 3.740 20 0 EHADRM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-][C@@H](C)C(F)(F)F ZINC000823220892 1137091142 /nfs/dbraw/zinc/09/11/42/1137091142.db2.gz KPHPDENXGGSRHV-LURJTMIESA-N -1 0 331.668 3.507 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2ccc3c(c2)-c2ccccc2C3)C1 ZINC000823855452 1137116766 /nfs/dbraw/zinc/11/67/66/1137116766.db2.gz SYYQCYCQOKVDQK-OAHLLOKOSA-N -1 0 349.430 3.975 20 0 EHADRM C/C(=C\C(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1cccc(Cl)c1 ZINC000823855304 1137116795 /nfs/dbraw/zinc/11/67/95/1137116795.db2.gz MVYSQDXTOOGNJM-JWAFFJSPSA-N -1 0 335.831 3.847 20 0 EHADRM COC(=O)c1ccc(NC(=O)c2ccc(Cl)c([O-])c2)cc1Cl ZINC001136807294 1137120483 /nfs/dbraw/zinc/12/04/83/1137120483.db2.gz PMERHNXRVMFUAS-UHFFFAOYSA-N -1 0 340.162 3.738 20 0 EHADRM Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(Cl)c([O-])c2)[C@@H](C)CO1 ZINC001136831883 1137127300 /nfs/dbraw/zinc/12/73/00/1137127300.db2.gz VHRGEVOMIROFHY-UGSOOPFHSA-N -1 0 345.826 3.956 20 0 EHADRM O=C(Nc1ccn(-c2ccccc2)n1)c1ccc2[n-]c(=S)oc2c1 ZINC000118765885 1137131252 /nfs/dbraw/zinc/13/12/52/1137131252.db2.gz VIVVPGYRVKWMAD-UHFFFAOYSA-N -1 0 336.376 3.555 20 0 EHADRM O=C(Nc1ccccc1-n1ccnc1)c1ccc2[n-]c(=S)oc2c1 ZINC000118875134 1137138093 /nfs/dbraw/zinc/13/80/93/1137138093.db2.gz AVSVAOXEMXOHHN-UHFFFAOYSA-N -1 0 336.376 3.555 20 0 EHADRM CCCON=C([O-])Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000824575851 1137143373 /nfs/dbraw/zinc/14/33/73/1137143373.db2.gz RSYFGOJFDJAOES-UHFFFAOYSA-N -1 0 347.227 3.975 20 0 EHADRM CC[C@@H](C)c1cccc(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c1 ZINC000862487215 1137146855 /nfs/dbraw/zinc/14/68/55/1137146855.db2.gz OMTLFMDEKWVSIH-SNVBAGLBSA-N -1 0 330.350 3.596 20 0 EHADRM Cc1c(NC(=O)OC(C)(C)C)cccc1NC(=O)c1ncccc1[O-] ZINC000862719245 1137154766 /nfs/dbraw/zinc/15/47/66/1137154766.db2.gz WIERCXOGNJIZOP-UHFFFAOYSA-N -1 0 343.383 3.695 20 0 EHADRM CC(C)c1nn(C)c(Cl)c1C(=O)Nc1cccc(Cl)c1[O-] ZINC000173477700 1137156336 /nfs/dbraw/zinc/15/63/36/1137156336.db2.gz FHFOGWPDISYQOT-UHFFFAOYSA-N -1 0 328.199 3.808 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC[C@@](C)(CC)C2)n1 ZINC001136968559 1137159570 /nfs/dbraw/zinc/15/95/70/1137159570.db2.gz OJRIFTPASSVRII-HXUWFJFHSA-N -1 0 341.455 3.793 20 0 EHADRM CC(C)c1cc(Cl)ccc1[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC000863424589 1137185837 /nfs/dbraw/zinc/18/58/37/1137185837.db2.gz KCRLLCHZFDDGSB-UHFFFAOYSA-N -1 0 334.228 3.641 20 0 EHADRM CO[C@H](CO[N-]C(=O)C(C)(C)c1ccccc1)c1ccc(F)cc1 ZINC000863456773 1137187451 /nfs/dbraw/zinc/18/74/51/1137187451.db2.gz IRQUROQEQOFKKT-QGZVFWFLSA-N -1 0 331.387 3.539 20 0 EHADRM COc1ccc([C@@H]2CCN(C(=O)c3cccc(Cl)c3[O-])C2)cc1F ZINC000863694651 1137199967 /nfs/dbraw/zinc/19/99/67/1137199967.db2.gz RAVHTEQNCMSKSV-GFCCVEGCSA-N -1 0 349.789 3.823 20 0 EHADRM CC[C@@H](C)N(Cc1ccccc1)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000864100921 1137215077 /nfs/dbraw/zinc/21/50/77/1137215077.db2.gz ADHCPUWMZJXLRT-IEZBTEQYSA-N -1 0 327.380 3.818 20 0 EHADRM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000864100285 1137215136 /nfs/dbraw/zinc/21/51/36/1137215136.db2.gz UKHMQPIDVSHYPR-ATWMFIQVSA-N -1 0 339.391 3.818 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)/C=C/c2cc(C(=O)[O-])co2)cc1C ZINC000864105576 1137215172 /nfs/dbraw/zinc/21/51/72/1137215172.db2.gz GXVAZBKVBYRWTE-LKGOPFMKSA-N -1 0 339.391 3.972 20 0 EHADRM Cc1cc2c(CC(=O)N3C[C@@H]4CCC[C@@H]4[C@H]3C(=O)[O-])csc2s1 ZINC000864139080 1137216817 /nfs/dbraw/zinc/21/68/17/1137216817.db2.gz CVMFNEWIYHCMTO-WBIUFABUSA-N -1 0 349.477 3.525 20 0 EHADRM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)/C=C/c2cc(C(=O)[O-])co2)C1 ZINC000864137866 1137216856 /nfs/dbraw/zinc/21/68/56/1137216856.db2.gz MZBASCJTBFQCIB-COUNWCFPSA-N -1 0 343.354 3.740 20 0 EHADRM C[C@H](CCc1ccc(F)cc1)C(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000864134915 1137216885 /nfs/dbraw/zinc/21/68/85/1137216885.db2.gz KVHBDIAECSBVSJ-VVFCZOMOSA-N -1 0 335.419 3.544 20 0 EHADRM Cc1ccc(CO[C@H](C)C(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC000864136505 1137216891 /nfs/dbraw/zinc/21/68/91/1137216891.db2.gz ZTIKJUCOFLBULR-OAHLLOKOSA-N -1 0 341.407 3.556 20 0 EHADRM COc1ccccc1-c1ccc(C(=O)N2CCC[C@]2(C)C(=O)[O-])s1 ZINC000864140309 1137216913 /nfs/dbraw/zinc/21/69/13/1137216913.db2.gz OFRIPVFSSXPUQR-GOSISDBHSA-N -1 0 345.420 3.503 20 0 EHADRM O=C([O-])c1ccc(NC(=O)/C=C/C2CCCC2)c(OCC(F)F)c1 ZINC000864171079 1137217576 /nfs/dbraw/zinc/21/75/76/1137217576.db2.gz SSLHIRMEOOMIQJ-VMPITWQZSA-N -1 0 339.338 3.714 20 0 EHADRM COc1cccc(Nc2ccc(NC(=O)C3(C(=O)[O-])CCC3)cc2)c1 ZINC000864161394 1137217662 /nfs/dbraw/zinc/21/76/62/1137217662.db2.gz QTMFBJGUQBQMHW-UHFFFAOYSA-N -1 0 340.379 3.632 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)c2cc(C(=O)[O-])ccc2Cl)o1 ZINC000864177408 1137217860 /nfs/dbraw/zinc/21/78/60/1137217860.db2.gz DBDKFOKFSNOEIQ-SKDRFNHKSA-N -1 0 333.771 3.685 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c1 ZINC000864174127 1137217948 /nfs/dbraw/zinc/21/79/48/1137217948.db2.gz HVHVIPMPMZQAOD-GBESFXJTSA-N -1 0 335.403 3.569 20 0 EHADRM CCc1ccc(N(CC2CC2)C(=O)c2ccc(C(=O)[O-])c(C)n2)cc1 ZINC000864187673 1137218316 /nfs/dbraw/zinc/21/83/16/1137218316.db2.gz BBTBRMVJRRQSQB-UHFFFAOYSA-N -1 0 338.407 3.707 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)CSc1ccc2ccccc2c1)C1CC1 ZINC000864197189 1137218571 /nfs/dbraw/zinc/21/85/71/1137218571.db2.gz AHOVGAWABJRUKV-IBGZPJMESA-N -1 0 343.448 3.692 20 0 EHADRM O=C([O-])c1coc(CNC(=O)C2(c3cccc(Cl)c3)CCCC2)c1 ZINC000864191918 1137218610 /nfs/dbraw/zinc/21/86/10/1137218610.db2.gz PGSXXPFEEJDLAX-UHFFFAOYSA-N -1 0 347.798 3.759 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)c1ccc(CCC(F)(F)F)cc1)C1CC1 ZINC000864204391 1137218903 /nfs/dbraw/zinc/21/89/03/1137218903.db2.gz XVXRTBFVYQAONB-MRXNPFEDSA-N -1 0 343.345 3.555 20 0 EHADRM CCC[C@H](C(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000864212186 1137219051 /nfs/dbraw/zinc/21/90/51/1137219051.db2.gz XJPPYEIDGHBCEL-WLLUSJSYSA-N -1 0 335.831 3.593 20 0 EHADRM CCCC[C@H](C)C(=O)N1CCC(c2nc(C)c(C(=O)[O-])s2)CC1 ZINC000864225583 1137219146 /nfs/dbraw/zinc/21/91/46/1137219146.db2.gz XACFNZWOPXFZCN-NSHDSACASA-N -1 0 338.473 3.682 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)Nc1ccc(C2CC2)cc1F ZINC000864221795 1137219163 /nfs/dbraw/zinc/21/91/63/1137219163.db2.gz LHJRURBDALOMJX-UHFFFAOYSA-N -1 0 327.355 3.973 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCC2CCOCC2)cc2ccccc21 ZINC000864225905 1137219256 /nfs/dbraw/zinc/21/92/56/1137219256.db2.gz NNNKXNIQJKBVEF-UHFFFAOYSA-N -1 0 327.380 3.683 20 0 EHADRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1)c1ccccc1 ZINC000864227703 1137219351 /nfs/dbraw/zinc/21/93/51/1137219351.db2.gz FUNWXZRCCBQZGW-MSOLQXFVSA-N -1 0 325.408 3.821 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2Cc3ccc(Cl)cc32)c1 ZINC000864233631 1137219493 /nfs/dbraw/zinc/21/94/93/1137219493.db2.gz XYJTYHQPNDLPNJ-SJORKVTESA-N -1 0 343.810 3.620 20 0 EHADRM C[C@H](NCc1cccc(OC(C)(C)C)c1)c1ncc(C(=O)[O-])s1 ZINC000864517060 1137231574 /nfs/dbraw/zinc/23/15/74/1137231574.db2.gz UHCODZJCDNOFFP-NSHDSACASA-N -1 0 334.441 3.869 20 0 EHADRM COc1ccc2cc(NC(=O)CC3(C(=O)[O-])CCCC3)ccc2c1 ZINC000794694872 1137235244 /nfs/dbraw/zinc/23/52/44/1137235244.db2.gz ITDPEZWOEIQVFC-UHFFFAOYSA-N -1 0 327.380 3.822 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC000864583918 1137235582 /nfs/dbraw/zinc/23/55/82/1137235582.db2.gz DFRYVMPIOCXHJP-ZDUSSCGKSA-N -1 0 348.346 3.770 20 0 EHADRM CN(C(=O)c1cc(Br)cc(F)c1[O-])C1CCCCC1 ZINC000864678205 1137239925 /nfs/dbraw/zinc/23/99/25/1137239925.db2.gz QVSVQCBRJQMUBL-UHFFFAOYSA-N -1 0 330.197 3.699 20 0 EHADRM COC(C)(C)c1nsc([N-]c2cn(-c3ccccc3)nc2C)n1 ZINC000865667764 1137302996 /nfs/dbraw/zinc/30/29/96/1137302996.db2.gz SBAURXBIKYVEMB-UHFFFAOYSA-N -1 0 329.429 3.657 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(C(=O)/C=C/C2CCCC2)CC1 ZINC000846119836 1137333991 /nfs/dbraw/zinc/33/39/91/1137333991.db2.gz LCTMWHNHOUAYBA-MDZDMXLPSA-N -1 0 341.451 3.912 20 0 EHADRM CSc1cc(NC(=O)CSc2n[n-]c(=S)s2)ccc1C ZINC000846621813 1137359552 /nfs/dbraw/zinc/35/95/52/1137359552.db2.gz OBRNCVFUUMMITM-UHFFFAOYSA-N -1 0 343.524 3.588 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2ccc(SC(F)F)cc2)CC=CCC1 ZINC000846705156 1137362792 /nfs/dbraw/zinc/36/27/92/1137362792.db2.gz YKMFEFYMVJDRHW-HNNXBMFYSA-N -1 0 327.352 3.751 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1cccc(-c2nc(C)c(C)[nH]2)c1 ZINC000846710748 1137363342 /nfs/dbraw/zinc/36/33/42/1137363342.db2.gz RCHVFKLNZARXGZ-UHFFFAOYSA-N -1 0 329.400 3.523 20 0 EHADRM C[C@@H](N=c1[n-]c(-c2cc(Cl)cc(Cl)c2)no1)[C@H]1CCCOC1 ZINC000543727013 1137378954 /nfs/dbraw/zinc/37/89/54/1137378954.db2.gz AGPPUMXLPSDTNL-ZJUUUORDSA-N -1 0 342.226 3.692 20 0 EHADRM CCC(C)(C)[C@H](C)NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC001147127150 1137400066 /nfs/dbraw/zinc/40/00/66/1137400066.db2.gz SREOARNHTINVGR-NSHDSACASA-N -1 0 335.835 3.786 20 0 EHADRM Cc1c(F)c(C)c(F)c(C(=O)[N-]c2nnc(-c3ccco3)o2)c1F ZINC001148752395 1137434023 /nfs/dbraw/zinc/43/40/23/1137434023.db2.gz OEMGVHBSSNCMPW-UHFFFAOYSA-N -1 0 337.257 3.616 20 0 EHADRM CC(=O)c1ncccc1NC(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148867575 1137436709 /nfs/dbraw/zinc/43/67/09/1137436709.db2.gz YXCJOLILTVVLBY-UHFFFAOYSA-N -1 0 332.359 3.909 20 0 EHADRM O=C(c1cc(Br)cc(F)c1[O-])N1CCC[C@H](CCF)C1 ZINC000869267540 1137444344 /nfs/dbraw/zinc/44/43/44/1137444344.db2.gz QFASBMJQXWQDQW-SECBINFHSA-N -1 0 348.187 3.506 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001171421814 1137478287 /nfs/dbraw/zinc/47/82/87/1137478287.db2.gz JXLWBGRCMPSYJJ-BZPMIXESSA-N -1 0 347.336 3.685 20 0 EHADRM CC(C)(Nc1ccc(Br)cc1C(=O)[O-])c1ccncc1 ZINC001171514508 1137495623 /nfs/dbraw/zinc/49/56/23/1137495623.db2.gz LBSPZWKGDSRWEG-UHFFFAOYSA-N -1 0 335.201 3.890 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NCc1ncc[nH]1)c1cc(Cl)cc(Cl)c1 ZINC000871066225 1137520575 /nfs/dbraw/zinc/52/05/75/1137520575.db2.gz OSYLYMGDZWQRTM-ZDUSSCGKSA-N -1 0 342.226 3.658 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NCc1cocn1)c1cc(Cl)cc(Cl)c1 ZINC000871065204 1137520586 /nfs/dbraw/zinc/52/05/86/1137520586.db2.gz CJSZNZHNLGKVDS-ZDUSSCGKSA-N -1 0 343.210 3.923 20 0 EHADRM O=C(OCc1cc(=O)oc2cc(O)ccc12)c1cc(Cl)ccc1F ZINC000018799683 1137526808 /nfs/dbraw/zinc/52/68/08/1137526808.db2.gz GRTFKBNXUCGSHE-UHFFFAOYSA-N -1 0 348.713 3.648 20 0 EHADRM COc1ccc(S[C@H](C)C(=O)[N-]OCCCC(F)(F)F)cc1 ZINC000871212143 1137527485 /nfs/dbraw/zinc/52/74/85/1137527485.db2.gz YUTHHPWIBLTWIM-SNVBAGLBSA-N -1 0 337.363 3.566 20 0 EHADRM CCOc1cccc(F)c1CNCc1cccc(CCC(=O)[O-])c1 ZINC000871875798 1137561877 /nfs/dbraw/zinc/56/18/77/1137561877.db2.gz OXBMFFHOVZSQRC-UHFFFAOYSA-N -1 0 331.387 3.531 20 0 EHADRM Cc1c([N-]S(=O)(=O)Cc2ccc(Cl)cc2)noc1C(C)(C)C ZINC000872009441 1137564345 /nfs/dbraw/zinc/56/43/45/1137564345.db2.gz YTUKSDQOMIMZHO-UHFFFAOYSA-N -1 0 342.848 3.876 20 0 EHADRM Cc1ccc(CN2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1C(=O)[O-] ZINC000872159260 1137574591 /nfs/dbraw/zinc/57/45/91/1137574591.db2.gz RCLGJCLFZKAYMO-IFXJQAMLSA-N -1 0 343.398 3.794 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000872769001 1137584193 /nfs/dbraw/zinc/58/41/93/1137584193.db2.gz XAFLJRYYQXEPNT-IFXJQAMLSA-N -1 0 327.380 3.519 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)C(C)(C)SCC(=O)[O-] ZINC000872836834 1137585216 /nfs/dbraw/zinc/58/52/16/1137585216.db2.gz OOWRIAKKVUNRCB-NSHDSACASA-N -1 0 335.425 3.515 20 0 EHADRM CC(C)(CCC(=O)[O-])C(=O)Nc1cccc(C2SCCS2)c1 ZINC000872833705 1137585257 /nfs/dbraw/zinc/58/52/57/1137585257.db2.gz VPHXLSREXBYPIJ-UHFFFAOYSA-N -1 0 339.482 3.995 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)C[C@]2(C(=O)[O-])CCc3ccccc32)s1 ZINC000872839306 1137585325 /nfs/dbraw/zinc/58/53/25/1137585325.db2.gz PXPCNITVHCGIIM-BFUOFWGJSA-N -1 0 343.448 3.593 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)Nc1cccc(SC(F)F)c1 ZINC000872844668 1137585464 /nfs/dbraw/zinc/58/54/64/1137585464.db2.gz WFQNSKQUCUVHKB-UHFFFAOYSA-N -1 0 335.397 3.536 20 0 EHADRM CC[C@](C)(CC(=O)[O-])C(=O)NCc1cn(C(F)F)c2ccccc12 ZINC000872882172 1137585992 /nfs/dbraw/zinc/58/59/92/1137585992.db2.gz RUPRJCCDDGGQFH-QGZVFWFLSA-N -1 0 338.354 3.544 20 0 EHADRM C[C@H](c1cccs1)N(C)C(=O)C[C@]1(C(=O)[O-])CCc2ccccc21 ZINC000872899503 1137586236 /nfs/dbraw/zinc/58/62/36/1137586236.db2.gz IAOHGSLMVDLZPB-BFUOFWGJSA-N -1 0 343.448 3.626 20 0 EHADRM Cc1cc([C@@H]2CCCN2C(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)no1 ZINC000872899953 1137586259 /nfs/dbraw/zinc/58/62/59/1137586259.db2.gz QGHMKGADRGTPQU-LPHOPBHVSA-N -1 0 348.443 3.708 20 0 EHADRM CC(C)[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000874190688 1137611546 /nfs/dbraw/zinc/61/15/46/1137611546.db2.gz HXOFZJSJLSJUED-INIZCTEOSA-N -1 0 327.380 3.725 20 0 EHADRM CN(C(=O)c1ccc(-c2cccc(C=O)c2)o1)c1ccccc1C(=O)[O-] ZINC000874972142 1137627306 /nfs/dbraw/zinc/62/73/06/1137627306.db2.gz OLVXTIINRCFSLB-UHFFFAOYSA-N -1 0 349.342 3.734 20 0 EHADRM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000825777878 1137630825 /nfs/dbraw/zinc/63/08/25/1137630825.db2.gz DFPGDBIKWVSFIA-DOMZBBRYSA-N -1 0 342.370 3.934 20 0 EHADRM CCCC[C@H](NC(=O)c1nn(-c2ccccc2F)cc1[O-])C1CCC1 ZINC001137545781 1137641241 /nfs/dbraw/zinc/64/12/41/1137641241.db2.gz BMMJKSWJNMIZFB-HNNXBMFYSA-N -1 0 345.418 3.806 20 0 EHADRM COc1ccc([C@@H](C)N(C)Cc2nnc(-c3ccccc3O)o2)cc1 ZINC000877896501 1137694572 /nfs/dbraw/zinc/69/45/72/1137694572.db2.gz CLNIDHPINMROLC-CYBMUJFWSA-N -1 0 339.395 3.644 20 0 EHADRM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ncsc1C1CC1 ZINC000882771027 1137833875 /nfs/dbraw/zinc/83/38/75/1137833875.db2.gz LEJCKRKRFVJNDN-UHFFFAOYSA-N -1 0 328.846 3.783 20 0 EHADRM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ncsc1C1CC1 ZINC000882772378 1137833878 /nfs/dbraw/zinc/83/38/78/1137833878.db2.gz SVXIULJLKNSPCN-UHFFFAOYSA-N -1 0 345.449 3.678 20 0 EHADRM O=C([O-])[C@@H]1CCN(C[C@@H]2CC[C@H](c3ccccc3)O2)c2ccccc21 ZINC000883407157 1137859993 /nfs/dbraw/zinc/85/99/93/1137859993.db2.gz MRQGKTQDLBQQCO-ILZDJORESA-N -1 0 337.419 3.985 20 0 EHADRM Cc1ccccc1S([O-])=CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000108087533 1137888710 /nfs/dbraw/zinc/88/87/10/1137888710.db2.gz NTAHXGCJVVXGDA-UUOWRZLLSA-N -1 0 341.476 3.639 20 0 EHADRM CC(C)c1cnc([N-]S(=O)(=O)/C=C\c2ccccc2F)s1 ZINC000800035782 1137895196 /nfs/dbraw/zinc/89/51/96/1137895196.db2.gz JHSGJKTWOATLNW-FPLPWBNLSA-N -1 0 326.418 3.818 20 0 EHADRM CCCC[C@@H](CC)CC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000117127061 1137929044 /nfs/dbraw/zinc/92/90/44/1137929044.db2.gz IGIWMGQUJYSNHQ-GFCCVEGCSA-N -1 0 335.473 3.550 20 0 EHADRM COC1(CC(=O)Nc2cc(Br)cc(Cl)c2[O-])CCC1 ZINC000332505813 1137945784 /nfs/dbraw/zinc/94/57/84/1137945784.db2.gz XQSGQJGIHSKXFU-UHFFFAOYSA-N -1 0 348.624 3.706 20 0 EHADRM CCC1CCC(N(C)C(=O)c2nn(-c3ccccc3F)cc2[O-])CC1 ZINC000332684268 1137951146 /nfs/dbraw/zinc/95/11/46/1137951146.db2.gz SBKQAELXTPYAGV-UHFFFAOYSA-N -1 0 345.418 3.758 20 0 EHADRM Cc1coc(CNc2cc(C)cc(C[N-]C(=O)C(F)(F)F)c2)c1 ZINC000886135941 1138051105 /nfs/dbraw/zinc/05/11/05/1138051105.db2.gz BCCGJKSYCGIZLT-UHFFFAOYSA-N -1 0 326.318 3.687 20 0 EHADRM CC(C)n1nccc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000066248387 1138074709 /nfs/dbraw/zinc/07/47/09/1138074709.db2.gz REWBLRQWOKWMPC-UHFFFAOYSA-N -1 0 334.228 3.572 20 0 EHADRM CCSCc1cccnc1[N-]S(=O)(=O)c1ccccc1CC ZINC000886441691 1138078401 /nfs/dbraw/zinc/07/84/01/1138078401.db2.gz DEUZBZMLXGEIQQ-UHFFFAOYSA-N -1 0 336.482 3.698 20 0 EHADRM COCc1cc(C(=O)[N-]c2cc(F)ccc2SCC(F)F)no1 ZINC000080393871 1138162340 /nfs/dbraw/zinc/16/23/40/1138162340.db2.gz QLTYZKVHIPNASO-UHFFFAOYSA-N -1 0 346.330 3.570 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N(C[C@@H]1CCOC1)C1CC1 ZINC000094056426 1138243476 /nfs/dbraw/zinc/24/34/76/1138243476.db2.gz DMEHFJNXXURRFM-LBPRGKRZSA-N -1 0 345.826 3.840 20 0 EHADRM Cc1ccc(NC(=O)Nc2ncc(Br)cc2[O-])c(C)c1 ZINC001202736406 1138248996 /nfs/dbraw/zinc/24/89/96/1138248996.db2.gz YPWLOVOKTJLWID-UHFFFAOYSA-N -1 0 336.189 3.811 20 0 EHADRM CC(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H]2c2cccc(C)c2)c1 ZINC000121928232 1138252395 /nfs/dbraw/zinc/25/23/95/1138252395.db2.gz RQGRLONDYRDJAI-GOSISDBHSA-N -1 0 338.407 3.636 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000887315387 1138262640 /nfs/dbraw/zinc/26/26/40/1138262640.db2.gz RZILPSOUZWZNPN-QWHCGFSZSA-N -1 0 343.345 3.569 20 0 EHADRM CC(C)(CC(=O)N1CCCC[C@H]1c1n[nH]c(=O)[n-]1)C1CCCCC1 ZINC000333557862 1138303744 /nfs/dbraw/zinc/30/37/44/1138303744.db2.gz QDNKABARPHQVEL-AWEZNQCLSA-N -1 0 334.464 3.561 20 0 EHADRM O=C(c1s[n-]c(=O)c1Cl)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000333945653 1138351901 /nfs/dbraw/zinc/35/19/01/1138351901.db2.gz TVBDYRYLAUECEV-GFCCVEGCSA-N -1 0 348.855 3.912 20 0 EHADRM COc1cncc(S(=O)(=O)Nc2cc(Cl)c(C)cc2Cl)c1 ZINC000337193512 1138491569 /nfs/dbraw/zinc/49/15/69/1138491569.db2.gz URAKBDMFABJSGF-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)cc1 ZINC000132004650 1138556667 /nfs/dbraw/zinc/55/66/67/1138556667.db2.gz UEKXEAGMPGUSTJ-FATZIPQQSA-N -1 0 349.883 3.976 20 0 EHADRM CSc1cccc(S(=O)(=O)[N-]c2nc(C3CC3)cs2)c1 ZINC000337756348 1138660210 /nfs/dbraw/zinc/66/02/10/1138660210.db2.gz HYZNWLZJKILCEH-UHFFFAOYSA-N -1 0 326.468 3.543 20 0 EHADRM O=C(Nc1cccc(COCC2CC2)c1)c1s[n-]c(=O)c1Cl ZINC000283014029 1138672633 /nfs/dbraw/zinc/67/26/33/1138672633.db2.gz LMLXGMXCUGWCOF-UHFFFAOYSA-N -1 0 338.816 3.681 20 0 EHADRM CCCCn1ncc([N-]S(=O)(=O)c2cccc(SC)c2)c1C ZINC000337850979 1138682114 /nfs/dbraw/zinc/68/21/14/1138682114.db2.gz JHJOWWMOWJNICF-UHFFFAOYSA-N -1 0 339.486 3.514 20 0 EHADRM CO[C@H](C)c1nc(=N[C@@H]2CCSc3ccc(Cl)cc32)s[n-]1 ZINC000337909896 1138696289 /nfs/dbraw/zinc/69/62/89/1138696289.db2.gz HDNLHGVTYGWTRJ-LDYMZIIASA-N -1 0 341.889 3.970 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N[C@@H](CC)c2ccc(C)cc2)s1 ZINC000338263384 1138806333 /nfs/dbraw/zinc/80/63/33/1138806333.db2.gz KOECORGOTAPXSR-LBPRGKRZSA-N -1 0 336.486 3.653 20 0 EHADRM O=S(=O)(C=C([O-])c1cccc(Cl)c1Cl)c1ccccc1 ZINC000338408747 1138898853 /nfs/dbraw/zinc/89/88/53/1138898853.db2.gz QGTKNQVTNQJRBC-UHFFFAOYSA-N -1 0 329.204 3.650 20 0 EHADRM CC(C)[C@@H](SCc1ccccc1)C(=O)[N-]OCc1cccnc1 ZINC000152563571 1139097355 /nfs/dbraw/zinc/09/73/55/1139097355.db2.gz UZGSXBVOCSCJBJ-QGZVFWFLSA-N -1 0 330.453 3.587 20 0 EHADRM CCc1noc(C)c1[N-]C(=O)c1sc(Cl)nc1C(F)(F)F ZINC000889704787 1139257316 /nfs/dbraw/zinc/25/73/16/1139257316.db2.gz DDCHFJMUTOOHSX-UHFFFAOYSA-N -1 0 339.726 3.926 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])C1(c2cccc(F)c2)CCOCC1 ZINC000179725246 1139778214 /nfs/dbraw/zinc/77/82/14/1139778214.db2.gz ASHKKKQBRHEECB-UHFFFAOYSA-N -1 0 349.789 3.872 20 0 EHADRM COC(=O)CCCC(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000182808341 1139994078 /nfs/dbraw/zinc/99/40/78/1139994078.db2.gz YZQPUPOSBODMCJ-UHFFFAOYSA-N -1 0 340.590 3.634 20 0 EHADRM CC[C@@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1nc(C)cs1 ZINC000184380175 1140100027 /nfs/dbraw/zinc/10/00/27/1140100027.db2.gz UUJBZROGVXZOLB-LLVKDONJSA-N -1 0 328.796 3.831 20 0 EHADRM CC(Cl)(Cl)C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000777440775 1140290159 /nfs/dbraw/zinc/29/01/59/1140290159.db2.gz LMCOHGMZQGHQCL-UHFFFAOYSA-N -1 0 347.423 3.940 20 0 EHADRM Cc1occc1S([O-])=CC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000189621370 1140356120 /nfs/dbraw/zinc/35/61/20/1140356120.db2.gz JZPZPKLQAAIXHP-NTKDMRAZSA-N -1 0 345.464 3.743 20 0 EHADRM Cc1occc1S([O-])=CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000189628169 1140356860 /nfs/dbraw/zinc/35/68/60/1140356860.db2.gz MIPCTFMXOSWWMC-KPWVOAKYSA-N -1 0 339.844 3.569 20 0 EHADRM CCC[C@@](C)(NC(=O)c1cc(-c2ccccn2)ccc1Cl)C(=O)[O-] ZINC000190708889 1140415900 /nfs/dbraw/zinc/41/59/00/1140415900.db2.gz OUJCSMLDRZELPO-GOSISDBHSA-N -1 0 346.814 3.775 20 0 EHADRM CC(C)Oc1ccc([C@@H](C)NC(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000194402786 1140607823 /nfs/dbraw/zinc/60/78/23/1140607823.db2.gz ZALQMVBNRZVKLH-IUDNXUCKSA-N -1 0 333.428 3.542 20 0 EHADRM CC[C@H](Cc1ccccc1)N(CC)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000194433614 1140609685 /nfs/dbraw/zinc/60/96/85/1140609685.db2.gz WKTJCYMKDUHVNP-DAWZGUTISA-N -1 0 331.456 3.747 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCS[C@@H]2CCCC[C@H]21 ZINC000194819014 1140623135 /nfs/dbraw/zinc/62/31/35/1140623135.db2.gz LUWCWPKFBSJJJC-CHWSQXEVSA-N -1 0 329.824 3.685 20 0 EHADRM CC[C@H](C)[C@@H]1CCCCN1C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000266804444 1140725020 /nfs/dbraw/zinc/72/50/20/1140725020.db2.gz BIWIPAJOHTVQDD-YJBOKZPZSA-N -1 0 341.455 3.515 20 0 EHADRM CC[C@@H](C)[C@H]1CCCCN1C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000267485432 1140796826 /nfs/dbraw/zinc/79/68/26/1140796826.db2.gz ZTQDTAUVYWHJON-IAQYHMDHSA-N -1 0 345.468 3.665 20 0 EHADRM Cc1nc(C)c([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)s1 ZINC000267522191 1140799942 /nfs/dbraw/zinc/79/99/42/1140799942.db2.gz GNTGWKWOUHKJDU-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM C[C@@H](O)CCN(C)C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000269072721 1141060034 /nfs/dbraw/zinc/06/00/34/1141060034.db2.gz ADHRFTSNAPFWGQ-GFCCVEGCSA-N -1 0 333.815 3.556 20 0 EHADRM O=C([O-])c1sccc1NC(=O)c1ccc(Br)cc1F ZINC000019430252 202007421 /nfs/dbraw/zinc/00/74/21/202007421.db2.gz HOTFUOWEIXHXQD-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cccc(Cl)c1Cl)C1CCCCC1 ZINC000038036174 202090651 /nfs/dbraw/zinc/09/06/51/202090651.db2.gz RTAQYSQSXMDSFA-ZDUSSCGKSA-N -1 0 330.211 3.757 20 0 EHADRM O=S(=O)([N-]c1nc2cc(Cl)ccc2o1)c1cccc(Cl)c1 ZINC000036241909 202318752 /nfs/dbraw/zinc/31/87/52/202318752.db2.gz BKOSUQLHRCLSLJ-UHFFFAOYSA-N -1 0 343.191 3.935 20 0 EHADRM Cc1noc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c1C ZINC000000005864 201357172 /nfs/dbraw/zinc/35/71/72/201357172.db2.gz SLBYWDJLJLBXGV-UHFFFAOYSA-N -1 0 328.393 3.759 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2cccc3cccnc32)c1 ZINC000000423510 201470362 /nfs/dbraw/zinc/47/03/62/201470362.db2.gz WYHUZFRZWLSLOL-UHFFFAOYSA-N -1 0 330.434 3.758 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cccc(Br)c2)CCCCC1 ZINC000013249800 207367920 /nfs/dbraw/zinc/36/79/20/207367920.db2.gz CCZZOLTVJASNOG-UHFFFAOYSA-N -1 0 340.217 3.813 20 0 EHADRM O=C([O-])c1sccc1NC(=O)CSc1ccccc1Cl ZINC000036977669 599803021 /nfs/dbraw/zinc/80/30/21/599803021.db2.gz OMZMIKCAOKCCKP-UHFFFAOYSA-N -1 0 327.814 3.831 20 0 EHADRM Cc1ccc(Nc2ccccc2C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000573589483 597019506 /nfs/dbraw/zinc/01/95/06/597019506.db2.gz GESJPAXIFHEHQU-UHFFFAOYSA-N -1 0 338.407 3.675 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)N[C@H](C(=O)[O-])C(C)C ZINC000780626050 597029128 /nfs/dbraw/zinc/02/91/28/597029128.db2.gz MMFMKHOGRIMCDL-HNNXBMFYSA-N -1 0 336.432 3.541 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)Nc2ccc3c4c(cccc42)CC3)C1 ZINC000577355685 597116309 /nfs/dbraw/zinc/11/63/09/597116309.db2.gz WXEFREILFNIEGJ-CYBMUJFWSA-N -1 0 338.407 3.657 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)Nc2cccc(CC(F)(F)F)c2)C1 ZINC000581299924 597121425 /nfs/dbraw/zinc/12/14/25/597121425.db2.gz RIJUHEFWRHRTEG-LBPRGKRZSA-N -1 0 344.333 3.510 20 0 EHADRM CCCCn1nc(C)c(CNc2cccc(CC(=O)[O-])c2)c1Cl ZINC000818171795 597138947 /nfs/dbraw/zinc/13/89/47/597138947.db2.gz FKZOBIAOMZKMBQ-UHFFFAOYSA-N -1 0 335.835 3.884 20 0 EHADRM CCCCOc1ccc(NC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)c(C)c1 ZINC000826842070 603508045 /nfs/dbraw/zinc/50/80/45/603508045.db2.gz IEZJKWTUHSMVNL-KGLIPLIRSA-N -1 0 334.416 3.549 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)NC2CCC(C(F)(F)F)CC2)c1 ZINC000738623148 597183149 /nfs/dbraw/zinc/18/31/49/597183149.db2.gz BSMQKANYMAHKIU-UHFFFAOYSA-N -1 0 344.333 3.556 20 0 EHADRM CCCN(Cc1ccc(F)cc1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737827437 597183302 /nfs/dbraw/zinc/18/33/02/597183302.db2.gz AAIWYLXXUJHERV-UHFFFAOYSA-N -1 0 344.386 3.897 20 0 EHADRM C[C@@H]1c2ccsc2CCN1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000321226317 597186086 /nfs/dbraw/zinc/18/60/86/597186086.db2.gz RCUMKNGNUDAUDU-LLVKDONJSA-N -1 0 330.409 3.526 20 0 EHADRM Cc1ccccc1[C@@H](C)N(C)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000738323129 597198031 /nfs/dbraw/zinc/19/80/31/597198031.db2.gz DNRAFTVYGKEVQK-CQSZACIVSA-N -1 0 326.396 3.847 20 0 EHADRM CCOc1ccccc1[C@@H](C)NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737886129 597201825 /nfs/dbraw/zinc/20/18/25/597201825.db2.gz HGUXQJAAODILDQ-CYBMUJFWSA-N -1 0 342.395 3.595 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N[C@@H]2CCc3cc(Cl)ccc32)c1 ZINC000738623202 597201834 /nfs/dbraw/zinc/20/18/34/597201834.db2.gz CZUSGBQTFXADND-MRXNPFEDSA-N -1 0 344.798 3.776 20 0 EHADRM CN(Cc1ccc2ccccc2c1)C(=O)NCCCCCC(=O)[O-] ZINC000414630453 597234494 /nfs/dbraw/zinc/23/44/94/597234494.db2.gz UBELQHWZSLQYJA-UHFFFAOYSA-N -1 0 328.412 3.626 20 0 EHADRM CC(C)(C)c1ncc(/C=C\C(=O)Nc2ccccc2CC(=O)[O-])s1 ZINC000492189200 597272807 /nfs/dbraw/zinc/27/28/07/597272807.db2.gz VBLBGQKFHZOHQR-HJWRWDBZSA-N -1 0 344.436 3.720 20 0 EHADRM O=C([O-])c1ccc(C[S@](=O)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000819687148 597284782 /nfs/dbraw/zinc/28/47/82/597284782.db2.gz IQVOOZIUELUAJM-QHCPKHFHSA-N -1 0 342.338 3.853 20 0 EHADRM CC(C)N(Cc1ccc(F)cc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263393667 597299902 /nfs/dbraw/zinc/29/99/02/597299902.db2.gz QWJYQICESCSWMF-UHFFFAOYSA-N -1 0 344.386 3.644 20 0 EHADRM Cc1ccc(C[C@H](C)N(C)C(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000818890660 597335161 /nfs/dbraw/zinc/33/51/61/597335161.db2.gz CZPSKLZGBGIFLO-HNNXBMFYSA-N -1 0 340.423 3.717 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N1CCC2(CCCCC2)CC1 ZINC000324951433 597335989 /nfs/dbraw/zinc/33/59/89/597335989.db2.gz BNXXGGKCOPHYAZ-UHFFFAOYSA-N -1 0 330.428 3.892 20 0 EHADRM Cc1cc(Cl)c(NC(=O)N2CCC(C(=O)[O-])CC2)cc1Cl ZINC000128369393 597379151 /nfs/dbraw/zinc/37/91/51/597379151.db2.gz AIQDUDMCBJPGFF-UHFFFAOYSA-N -1 0 331.199 3.630 20 0 EHADRM Cc1c(C(=O)Nc2cccc(CC(=O)[O-])c2)cccc1-c1ccccn1 ZINC000431805789 597391447 /nfs/dbraw/zinc/39/14/47/597391447.db2.gz WVCWWTBOKBGOMF-UHFFFAOYSA-N -1 0 346.386 3.936 20 0 EHADRM C[C@H](NC(=O)Nc1ccccc1CC(=O)[O-])[C@@H](C)c1ccccc1 ZINC000818039570 597438071 /nfs/dbraw/zinc/43/80/71/597438071.db2.gz HCLQUQBANGAXPG-KGLIPLIRSA-N -1 0 326.396 3.627 20 0 EHADRM CC[C@@H](C)n1ncc(C(=O)Nc2ccccc2CC(=O)[O-])c1C1CC1 ZINC000820273151 597455339 /nfs/dbraw/zinc/45/53/39/597455339.db2.gz VBMBPPRBRHKZNB-GFCCVEGCSA-N -1 0 341.411 3.611 20 0 EHADRM Cc1c(Cl)cc(F)c(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)c1F ZINC000561181383 597486880 /nfs/dbraw/zinc/48/68/80/597486880.db2.gz JZOWIHSKPSESQG-SECBINFHSA-N -1 0 346.761 3.645 20 0 EHADRM Cn1cc(CNc2cccc(CC(=O)[O-])c2)c(C2CCCCC2)n1 ZINC000414685807 597816083 /nfs/dbraw/zinc/81/60/83/597816083.db2.gz UCLKXAAKFYZTAQ-UHFFFAOYSA-N -1 0 327.428 3.707 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=S)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000820136721 598058363 /nfs/dbraw/zinc/05/83/63/598058363.db2.gz ZCRBAVKNOOPGRZ-VIFPVBQESA-N -1 0 349.283 3.724 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000821539674 598084488 /nfs/dbraw/zinc/08/44/88/598084488.db2.gz ODADDWDCKKBUGH-KRWDZBQOSA-N -1 0 342.370 3.652 20 0 EHADRM COc1ccccc1-c1cccc(NC(=O)NCCCCC(=O)[O-])c1 ZINC000669499401 598169122 /nfs/dbraw/zinc/16/91/22/598169122.db2.gz UDQKTQTZGWWRDX-UHFFFAOYSA-N -1 0 342.395 3.739 20 0 EHADRM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)NCCCCC(=O)[O-] ZINC000669501112 598169362 /nfs/dbraw/zinc/16/93/62/598169362.db2.gz KKINFYVCEMLEAU-OAHLLOKOSA-N -1 0 347.459 3.750 20 0 EHADRM Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccccc2C(=O)[O-])s1 ZINC000821165824 598179874 /nfs/dbraw/zinc/17/98/74/598179874.db2.gz WCOIOVPNIRADFX-SNVBAGLBSA-N -1 0 333.413 3.683 20 0 EHADRM Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccccc1C(=O)[O-] ZINC000681680086 598180872 /nfs/dbraw/zinc/18/08/72/598180872.db2.gz YBLJKKWBBWBTKP-UHFFFAOYSA-N -1 0 336.347 3.529 20 0 EHADRM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000820199790 598183801 /nfs/dbraw/zinc/18/38/01/598183801.db2.gz IYOUNFSEYTXKNV-NSHDSACASA-N -1 0 348.349 3.566 20 0 EHADRM CSc1ccc(C)c(NC(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000820910126 598186803 /nfs/dbraw/zinc/18/68/03/598186803.db2.gz OTSKMVHKFKXYCQ-UHFFFAOYSA-N -1 0 330.409 3.988 20 0 EHADRM CCCOC(=O)c1ccc(NC(=O)c2ccccc2NC(=O)[O-])cc1 ZINC000737029216 599705822 /nfs/dbraw/zinc/70/58/22/599705822.db2.gz CVMJCSWCQZXVNZ-UHFFFAOYSA-N -1 0 342.351 3.596 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000740040018 599705967 /nfs/dbraw/zinc/70/59/67/599705967.db2.gz CQOHEAWYDACNLZ-UHFFFAOYSA-N -1 0 338.407 3.871 20 0 EHADRM CC(C)CCOc1ccc([C@H](C)Nc2ccc(C(=O)[O-])nn2)cc1 ZINC000736432040 599705991 /nfs/dbraw/zinc/70/59/91/599705991.db2.gz OZHMQVFRLBEUGM-ZDUSSCGKSA-N -1 0 329.400 3.773 20 0 EHADRM Cc1cc(C(=O)NCc2ccc(C(=O)[O-])cc2)cc(C)c1OC(F)F ZINC000237743956 599706167 /nfs/dbraw/zinc/70/61/67/599706167.db2.gz MBDRUPXBQIWZEU-UHFFFAOYSA-N -1 0 349.333 3.533 20 0 EHADRM O=C([O-])NCCC(=O)Nc1ccccc1-c1nc2ccccc2s1 ZINC000738655746 599710775 /nfs/dbraw/zinc/71/07/75/599710775.db2.gz NKNVLYKYTMSECB-UHFFFAOYSA-N -1 0 341.392 3.560 20 0 EHADRM Cc1ccccc1C[C@H](C)NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000738768485 599713963 /nfs/dbraw/zinc/71/39/63/599713963.db2.gz LPJPYNYEZPEVDL-LBPRGKRZSA-N -1 0 345.374 3.977 20 0 EHADRM Cc1ccc(CNC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c(C)c1 ZINC000738604223 599714929 /nfs/dbraw/zinc/71/49/29/599714929.db2.gz ZJGKHOJSTINAAH-UHFFFAOYSA-N -1 0 331.347 3.854 20 0 EHADRM CN(CCc1ccc(F)cc1)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000737447354 599718058 /nfs/dbraw/zinc/71/80/58/599718058.db2.gz XWIOPIYSRYWZAL-UHFFFAOYSA-N -1 0 349.337 3.761 20 0 EHADRM C[C@H](Cc1ccsc1)NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736628774 599719086 /nfs/dbraw/zinc/71/90/86/599719086.db2.gz DYTFNJGWAIKQCQ-SECBINFHSA-N -1 0 337.376 3.730 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cc3c(cccc3F)s2)c1O ZINC000322678281 599720341 /nfs/dbraw/zinc/72/03/41/599720341.db2.gz LQSWLDRJSBWOHL-UHFFFAOYSA-N -1 0 331.324 3.697 20 0 EHADRM O=C([O-])c1cccc(NC(=O)CCCOc2ccc(Cl)cc2)c1O ZINC000739231325 599721921 /nfs/dbraw/zinc/72/19/21/599721921.db2.gz DZAHQPLTFKDQNB-UHFFFAOYSA-N -1 0 349.770 3.542 20 0 EHADRM O=C([O-])NCCCC(=O)Nc1nc2ccccc2n1C1CCCCC1 ZINC000739965650 599724021 /nfs/dbraw/zinc/72/40/21/599724021.db2.gz DIFUEAJKUZROLR-UHFFFAOYSA-N -1 0 344.415 3.528 20 0 EHADRM C[C@H](NC(=O)CCCN(C)C(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000736634841 599724666 /nfs/dbraw/zinc/72/46/66/599724666.db2.gz AFUVWMNGWIPTIG-HNNXBMFYSA-N -1 0 340.423 3.921 20 0 EHADRM C[C@@H](Sc1nnc(Cc2cccc(F)c2)o1)c1ccc(C(=O)[O-])o1 ZINC000736715586 599731126 /nfs/dbraw/zinc/73/11/26/599731126.db2.gz UQWVDWRAGHUNRC-SECBINFHSA-N -1 0 348.355 3.944 20 0 EHADRM CCC[C@@](C)(NC(=O)/C=C\c1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000736954498 599732858 /nfs/dbraw/zinc/73/28/58/599732858.db2.gz LQGDISXYJFBQRH-ZCPJJFRWSA-N -1 0 345.439 3.781 20 0 EHADRM O=C([O-])CCCCCNC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000238153072 599741169 /nfs/dbraw/zinc/74/11/69/599741169.db2.gz OHSYMDFRSFHCKE-MSOLQXFVSA-N -1 0 325.408 3.705 20 0 EHADRM CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CCCNC(=O)[O-])cc1 ZINC000736297884 599747737 /nfs/dbraw/zinc/74/77/37/599747737.db2.gz KJHUEKFNNUSMGD-INIZCTEOSA-N -1 0 332.444 3.695 20 0 EHADRM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1cccc(-c2ccc3ccccc3c2)n1 ZINC000739553839 599750036 /nfs/dbraw/zinc/75/00/36/599750036.db2.gz RZSMEGNGCASTKP-HOTGVXAUSA-N -1 0 332.359 3.561 20 0 EHADRM Cc1cc(COC(=O)[C@@]2(C)CCCc3ccccc32)oc1C(=O)[O-] ZINC000738391623 599752149 /nfs/dbraw/zinc/75/21/49/599752149.db2.gz CNKPYYPBKUTBQL-IBGZPJMESA-N -1 0 328.364 3.624 20 0 EHADRM Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000431999131 599763777 /nfs/dbraw/zinc/76/37/77/599763777.db2.gz IHOXDPRLTUYLJE-UHFFFAOYSA-N -1 0 336.347 3.529 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)nc1 ZINC000740111049 599765950 /nfs/dbraw/zinc/76/59/50/599765950.db2.gz QODDFHNLKUDMEN-INIZCTEOSA-N -1 0 344.798 3.704 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)/C=C\c2ccc3ccccc3n2)cc1 ZINC000739756319 599767418 /nfs/dbraw/zinc/76/74/18/599767418.db2.gz OPGLRIQVGUIJTC-SEYXRHQNSA-N -1 0 346.386 3.904 20 0 EHADRM Cc1nc2sc(-c3ccccc3)cc2c(NC[C@H](C)C(=O)[O-])n1 ZINC000738865587 599784153 /nfs/dbraw/zinc/78/41/53/599784153.db2.gz XRWBTJUVZOCQHM-JTQLQIEISA-N -1 0 327.409 3.799 20 0 EHADRM O=C([O-])c1ccccc1C(=O)OCc1cc(Cl)cc2cccnc21 ZINC000740243466 599790603 /nfs/dbraw/zinc/79/06/03/599790603.db2.gz XWZGARIFYGFPAN-UHFFFAOYSA-N -1 0 341.750 3.943 20 0 EHADRM O=C([O-])c1occc1CN1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000740282175 599796180 /nfs/dbraw/zinc/79/61/80/599796180.db2.gz SXCVTZNOIJIUPE-UHFFFAOYSA-N -1 0 330.771 3.671 20 0 EHADRM Cc1ccc(C)c(CC(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)c1 ZINC000738573678 599797320 /nfs/dbraw/zinc/79/73/20/599797320.db2.gz SOTPPFWTOWNQFH-UHFFFAOYSA-N -1 0 345.826 3.613 20 0 EHADRM CCc1[nH]c(C(=O)N[C@H](C)C(C)(C)c2ccccc2)c(C)c1C(=O)[O-] ZINC000737240177 599798500 /nfs/dbraw/zinc/79/85/00/599798500.db2.gz IBDKQBFHFOBBQM-CYBMUJFWSA-N -1 0 342.439 3.680 20 0 EHADRM C[C@@H](OC(=O)CCCNC(=O)[O-])c1c(Cl)ccc(F)c1Cl ZINC000736691043 599800101 /nfs/dbraw/zinc/80/01/01/599800101.db2.gz VAPLRAYNNLDJPY-SSDOTTSWSA-N -1 0 338.162 3.785 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2scnc2-c2ccccc2)s1 ZINC000740121877 599807661 /nfs/dbraw/zinc/80/76/61/599807661.db2.gz TWDXPHIAYJWNCT-UHFFFAOYSA-N -1 0 330.390 3.822 20 0 EHADRM CCN(Cc1ccoc1)C(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000675963752 599812653 /nfs/dbraw/zinc/81/26/53/599812653.db2.gz UHGDARZVIPPYNJ-GFCCVEGCSA-N -1 0 333.409 3.507 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2SC(F)(F)F)cn1 ZINC000238060654 599818563 /nfs/dbraw/zinc/81/85/63/599818563.db2.gz KRXQKYYKDZNKBR-UHFFFAOYSA-N -1 0 342.298 3.644 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)NCc2ccc(Cl)s2)cc1 ZINC000316633445 599823325 /nfs/dbraw/zinc/82/33/25/599823325.db2.gz NLGNTQLRJUNWMJ-UHFFFAOYSA-N -1 0 338.816 3.740 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCCc2cccc(Cl)c2)c(F)c1 ZINC000739433171 599837620 /nfs/dbraw/zinc/83/76/20/599837620.db2.gz XMGXQVQHYBKWPJ-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM CC(C)c1ccc(OCC(=O)Nc2cccc(F)c2C(=O)[O-])cc1 ZINC000325007632 599846026 /nfs/dbraw/zinc/84/60/26/599846026.db2.gz BAOIKTVPLSRJSB-UHFFFAOYSA-N -1 0 331.343 3.665 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C)cc2C)cc1 ZINC000237362370 599849056 /nfs/dbraw/zinc/84/90/56/599849056.db2.gz JRYFZFSNELXVOH-KRWDZBQOSA-N -1 0 343.448 3.971 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)c1c[nH]c2ncccc12 ZINC000740099337 599850445 /nfs/dbraw/zinc/85/04/45/599850445.db2.gz WZHIBMYGIYCGES-UHFFFAOYSA-N -1 0 331.331 3.667 20 0 EHADRM CCC[C@H](NC(=O)CNc1cccc(F)c1C(=O)[O-])c1ccccc1 ZINC000736972480 599856029 /nfs/dbraw/zinc/85/60/29/599856029.db2.gz YGSKTALDBSQBSW-HNNXBMFYSA-N -1 0 344.386 3.593 20 0 EHADRM Cc1ccccc1-c1noc(CNc2ccc(CCC(=O)[O-])cc2)n1 ZINC000738755851 599857634 /nfs/dbraw/zinc/85/76/34/599857634.db2.gz GAFJLOPESRGISK-UHFFFAOYSA-N -1 0 337.379 3.674 20 0 EHADRM COc1cccc(C(=O)NCc2c3ccccc3sc2C(=O)[O-])c1 ZINC000676019371 599873178 /nfs/dbraw/zinc/87/31/78/599873178.db2.gz YANAPNRCGADOKU-UHFFFAOYSA-N -1 0 341.388 3.538 20 0 EHADRM CC1(C)CCCN1CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000736732287 599875330 /nfs/dbraw/zinc/87/53/30/599875330.db2.gz ACSLWBSXUCPXHC-UHFFFAOYSA-N -1 0 345.226 3.505 20 0 EHADRM O=C([O-])c1coc(COC(=O)c2ccc(-c3ccccc3F)o2)c1 ZINC000740269512 599881656 /nfs/dbraw/zinc/88/16/56/599881656.db2.gz GMOLTEHALYQLQQ-UHFFFAOYSA-N -1 0 330.267 3.734 20 0 EHADRM O=C([O-])c1coc(COC(=O)c2ccc(OC3CCCC3)cc2)c1 ZINC000740271807 599882430 /nfs/dbraw/zinc/88/24/30/599882430.db2.gz RXZLHRNEDGEOAC-UHFFFAOYSA-N -1 0 330.336 3.656 20 0 EHADRM CCC[C@](C)(NC(=O)/C=C/c1ccccc1O[C@H](C)CC)C(=O)[O-] ZINC000236830679 599884466 /nfs/dbraw/zinc/88/44/66/599884466.db2.gz HNODRKGQEATKPI-URRPHDDBSA-N -1 0 333.428 3.637 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)c1cccc(OC2CCCC2)c1 ZINC000681682141 599887037 /nfs/dbraw/zinc/88/70/37/599887037.db2.gz RZRFQTHVLPULRQ-UHFFFAOYSA-N -1 0 325.364 3.959 20 0 EHADRM CC(C)[C@@H](CC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000236671340 599893037 /nfs/dbraw/zinc/89/30/37/599893037.db2.gz KASVOWWLRMTVRG-GOSISDBHSA-N -1 0 325.408 3.831 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)o1 ZINC000740133626 599893544 /nfs/dbraw/zinc/89/35/44/599893544.db2.gz NTUNKFNGBAZMPR-DLBZAZTESA-N -1 0 336.343 3.978 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)NCCCSc2ccc(F)cc2)c1 ZINC000740030931 599896359 /nfs/dbraw/zinc/89/63/59/599896359.db2.gz LMIOSHQCUJGRBU-UHFFFAOYSA-N -1 0 348.399 3.828 20 0 EHADRM CC[C@@H](NC(=O)c1cccc(NC(=O)[O-])c1)c1ccc(OC)cc1 ZINC000736920059 599896758 /nfs/dbraw/zinc/89/67/58/599896758.db2.gz MIZANPGBVLFUST-MRXNPFEDSA-N -1 0 328.368 3.666 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000237190187 599900236 /nfs/dbraw/zinc/90/02/36/599900236.db2.gz QHTKJUMXVLEKCF-NSHDSACASA-N -1 0 331.343 3.665 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc(F)c(F)c(F)c2)ccc1Cl ZINC000316378691 599901285 /nfs/dbraw/zinc/90/12/85/599901285.db2.gz IVNGIBYFSVXMPX-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2CCCCC[C@H]2c2ccncc2)c1 ZINC000740027142 599904952 /nfs/dbraw/zinc/90/49/52/599904952.db2.gz LVVXRMUFXYYHRD-KRWDZBQOSA-N -1 0 339.395 3.929 20 0 EHADRM O=Cc1cc(C(=O)[O-])ccc1OCc1ccc(Cl)c2cccnc12 ZINC000740315607 599909689 /nfs/dbraw/zinc/90/96/89/599909689.db2.gz FHRSRDMYWVQKLH-UHFFFAOYSA-N -1 0 341.750 3.978 20 0 EHADRM CCc1c(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)cnn1-c1ccccc1 ZINC000237112505 599915859 /nfs/dbraw/zinc/91/58/59/599915859.db2.gz ALEGYOUPYROYLC-UHFFFAOYSA-N -1 0 349.390 3.694 20 0 EHADRM Cc1cc(NC(=O)CCc2ccc(OC(F)F)cc2)ccc1C(=O)[O-] ZINC000237702088 599916608 /nfs/dbraw/zinc/91/66/08/599916608.db2.gz OBOOUYBGCWBWTO-UHFFFAOYSA-N -1 0 349.333 3.866 20 0 EHADRM Cc1ccc(Cl)c(OCC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000320772224 599918387 /nfs/dbraw/zinc/91/83/87/599918387.db2.gz QDIOLACQSDKGPU-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)/C=C/c2cccc(F)c2)c1 ZINC000238073361 599922508 /nfs/dbraw/zinc/92/25/08/599922508.db2.gz DTDUOQFKFHDZEA-BQYQJAHWSA-N -1 0 345.395 3.795 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)c2cc(F)cc(F)c2)c1 ZINC000238074475 599923220 /nfs/dbraw/zinc/92/32/20/599923220.db2.gz RERUXLJUMDLWDW-UHFFFAOYSA-N -1 0 337.347 3.535 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)Cc2coc(-c3cccs3)n2)c1 ZINC000740043514 599929189 /nfs/dbraw/zinc/92/91/89/599929189.db2.gz UZCSTHAPCDZLPC-UHFFFAOYSA-N -1 0 343.364 3.674 20 0 EHADRM Cc1ccc(CCC(=O)N[C@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000193455319 599934040 /nfs/dbraw/zinc/93/40/40/599934040.db2.gz PBDLPRNGTKOSNJ-GOSISDBHSA-N -1 0 325.408 3.650 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)c1cc2c(s1)CCCC2)c1ccccc1 ZINC000324196651 599937090 /nfs/dbraw/zinc/93/70/90/599937090.db2.gz LCOSBPYYENBFLJ-OAHLLOKOSA-N -1 0 343.448 3.963 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)c1cccc(OC(F)F)c1)c1ccccc1 ZINC000193453532 599937764 /nfs/dbraw/zinc/93/77/64/599937764.db2.gz OZGKTZIWRPBTRK-OAHLLOKOSA-N -1 0 349.333 3.624 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)Cc1c(F)cccc1Cl)c1ccccc1 ZINC000193453446 599937801 /nfs/dbraw/zinc/93/78/01/599937801.db2.gz CYZZAOHOAYBVKQ-INIZCTEOSA-N -1 0 349.789 3.744 20 0 EHADRM CCc1noc(C)c1C(=O)OCc1c2ccccc2sc1C(=O)[O-] ZINC000737292749 599944139 /nfs/dbraw/zinc/94/41/39/599944139.db2.gz TYWVHJAWGUDISV-UHFFFAOYSA-N -1 0 345.376 3.815 20 0 EHADRM O=C([O-])c1coc(COC(=O)c2cccc(OC3CCCC3)c2)c1 ZINC000740270733 599953698 /nfs/dbraw/zinc/95/36/98/599953698.db2.gz OTJDLDLMYNFWCW-UHFFFAOYSA-N -1 0 330.336 3.656 20 0 EHADRM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263360894 599958638 /nfs/dbraw/zinc/95/86/38/599958638.db2.gz UCIUWQKUXRHQNW-RWBZWWBESA-N -1 0 344.455 3.640 20 0 EHADRM CC(C)COc1ccccc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000736449055 599971013 /nfs/dbraw/zinc/97/10/13/599971013.db2.gz XIMJJZNXEUGMOK-UHFFFAOYSA-N -1 0 331.343 3.811 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1csc2ccccc12)c1cc(F)ccc1F ZINC000739370083 599975402 /nfs/dbraw/zinc/97/54/02/599975402.db2.gz CWMHQRXJAQSNPY-HNNXBMFYSA-N -1 0 347.342 3.735 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc2ccccc2c1)c1cc(F)ccc1F ZINC000739370066 599980243 /nfs/dbraw/zinc/98/02/43/599980243.db2.gz CPWMSSQHUXYVNY-KRWDZBQOSA-N -1 0 341.313 3.674 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc(C2CC2)nc2ccccc21)c1ccccc1 ZINC000238015796 599987518 /nfs/dbraw/zinc/98/75/18/599987518.db2.gz LXNKPXVQVAKVGG-IBGZPJMESA-N -1 0 346.386 3.668 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cc(F)ccc2N2CCCCC2)s1 ZINC000740115316 599992869 /nfs/dbraw/zinc/99/28/69/599992869.db2.gz RSWQEXHVKDYVCS-UHFFFAOYSA-N -1 0 348.399 3.828 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000737331007 599994136 /nfs/dbraw/zinc/99/41/36/599994136.db2.gz GYQKXUYSUHCVKM-UONOGXRCSA-N -1 0 346.333 3.821 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)ccc1F ZINC000740082187 599995883 /nfs/dbraw/zinc/99/58/83/599995883.db2.gz WLSBITUOTUSWDJ-MNOVXSKESA-N -1 0 335.281 3.544 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)CCc2ccccc2Cl)c1 ZINC000321917720 600000898 /nfs/dbraw/zinc/00/08/98/600000898.db2.gz ILEWUPGRNNGNCY-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)OCc1cccc(C(=O)[O-])c1 ZINC000738119403 600001764 /nfs/dbraw/zinc/00/17/64/600001764.db2.gz HIIKFUUAOIXWDX-CYBMUJFWSA-N -1 0 328.364 3.630 20 0 EHADRM Cc1ccc(F)c(C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)c1 ZINC000362515918 600008327 /nfs/dbraw/zinc/00/83/27/600008327.db2.gz KUOJKYORPVKSMY-UHFFFAOYSA-N -1 0 335.762 3.515 20 0 EHADRM CSc1ccc(NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])cn1 ZINC000738212597 600009305 /nfs/dbraw/zinc/00/93/05/600009305.db2.gz MOPOWIYATIKKAW-JTQLQIEISA-N -1 0 348.449 3.621 20 0 EHADRM CC[C@@H](NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccc(C)cc1 ZINC000736913921 600013313 /nfs/dbraw/zinc/01/33/13/600013313.db2.gz IFCNPRHYWWDQHL-GOSISDBHSA-N -1 0 338.407 3.870 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)N[C@H](c1ccccc1)C1CC1)C2 ZINC000740202519 600014397 /nfs/dbraw/zinc/01/43/97/600014397.db2.gz KKKHCGRQPGCUIT-GOSISDBHSA-N -1 0 336.391 3.561 20 0 EHADRM Cc1cc(NC(=O)N[C@H]2C[C@H]2c2cccc(F)c2)ccc1C(=O)[O-] ZINC000738439522 600014900 /nfs/dbraw/zinc/01/49/00/600014900.db2.gz DEBIRQULRIMUNV-HOTGVXAUSA-N -1 0 328.343 3.510 20 0 EHADRM Cc1cc(NC(=O)N(C)CCCOc2ccccc2)ccc1C(=O)[O-] ZINC000738437343 600016537 /nfs/dbraw/zinc/01/65/37/600016537.db2.gz FKDLHLBLCWQPBL-UHFFFAOYSA-N -1 0 342.395 3.626 20 0 EHADRM CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1cc(C(=O)[O-])c(C)o1 ZINC000737112737 600019046 /nfs/dbraw/zinc/01/90/46/600019046.db2.gz XBCBBTMWUSJBPC-CQSZACIVSA-N -1 0 334.759 3.526 20 0 EHADRM O=C([O-])C1CCC(NC(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000263137064 600019701 /nfs/dbraw/zinc/01/97/01/600019701.db2.gz ZHEAQVUQUGVAIN-HIEASXQVSA-N -1 0 344.455 3.655 20 0 EHADRM Cc1c(NC(=O)N(C)[C@H](C)c2cccc(O)c2)cccc1C(=O)[O-] ZINC000738300266 600022561 /nfs/dbraw/zinc/02/25/61/600022561.db2.gz STOWPZLHJKYQNW-GFCCVEGCSA-N -1 0 328.368 3.624 20 0 EHADRM Cc1c(NC(=O)N(C)[C@@H](C)c2cccc(O)c2)cccc1C(=O)[O-] ZINC000738300268 600022574 /nfs/dbraw/zinc/02/25/74/600022574.db2.gz STOWPZLHJKYQNW-LBPRGKRZSA-N -1 0 328.368 3.624 20 0 EHADRM O=C([O-])c1cccc(CSCc2noc(Cc3ccccc3)n2)c1 ZINC000740225404 600029892 /nfs/dbraw/zinc/02/98/92/600029892.db2.gz KDJUCYYSABZWLM-UHFFFAOYSA-N -1 0 340.404 3.792 20 0 EHADRM Cc1ccsc1-c1nnc(SCc2cc(C(=O)[O-])c(C)o2)o1 ZINC000738800424 600033663 /nfs/dbraw/zinc/03/36/63/600033663.db2.gz VBKUFNRHFYKOQQ-UHFFFAOYSA-N -1 0 336.394 3.998 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Oc2ccccc2Br)cc1 ZINC000739260130 600035841 /nfs/dbraw/zinc/03/58/41/600035841.db2.gz FRVXEIAKADXOPJ-UHFFFAOYSA-N -1 0 349.180 3.686 20 0 EHADRM Cc1ccc(C2=CCN(C(=O)CCc3ccc(C(=O)[O-])cc3)CC2)cc1 ZINC000738583243 600036121 /nfs/dbraw/zinc/03/61/21/600036121.db2.gz PIQYAJGGQZTTMF-UHFFFAOYSA-N -1 0 349.430 3.942 20 0 EHADRM CC[C@](C)(NC(=O)c1ccc(-c2ccc(C)cc2)cc1F)C(=O)[O-] ZINC000362338056 600038589 /nfs/dbraw/zinc/03/85/89/600038589.db2.gz AHFMBTODCQNGNR-IBGZPJMESA-N -1 0 329.371 3.784 20 0 EHADRM CC(C)[C@H](Sc1ccccc1)C(=O)OCc1ccoc1C(=O)[O-] ZINC000736392742 600038951 /nfs/dbraw/zinc/03/89/51/600038951.db2.gz XAQHDOLXFVLAQP-HNNXBMFYSA-N -1 0 334.393 3.838 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)NCc2cc3c(s2)CCCC3)cc1 ZINC000739256556 600040872 /nfs/dbraw/zinc/04/08/72/600040872.db2.gz ZFXQFUWGTIDWBS-UHFFFAOYSA-N -1 0 343.448 3.574 20 0 EHADRM C[C@H]1CCc2c(C(=O)N3Cc4ccc(C(=O)[O-])cc4C3)csc2C1 ZINC000326355347 600043566 /nfs/dbraw/zinc/04/35/66/600043566.db2.gz PWRNWBDRRMAMDO-NSHDSACASA-N -1 0 341.432 3.727 20 0 EHADRM Cc1cc(C)cc([C@H](C)NC(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000237615513 600044990 /nfs/dbraw/zinc/04/49/90/600044990.db2.gz FYTNARDPEWYYHF-HNNXBMFYSA-N -1 0 325.408 3.812 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)/C=C\c1ccccc1Cl)C2 ZINC000321550910 600045338 /nfs/dbraw/zinc/04/53/38/600045338.db2.gz AMQZQWNNUKZMQG-FPLPWBNLSA-N -1 0 327.767 3.594 20 0 EHADRM Cc1cc(C(=O)[O-])c2sc(NC(=O)C[C@@H]3CCC[C@H](C)C3)nc2n1 ZINC000738340805 600049194 /nfs/dbraw/zinc/04/91/94/600049194.db2.gz BOLGYABBKWCOCN-GXSJLCMTSA-N -1 0 347.440 3.853 20 0 EHADRM C/C(=C/C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c1ccccc1Cl ZINC000236658545 600059011 /nfs/dbraw/zinc/05/90/11/600059011.db2.gz BMUBKAOEUDIMEM-MOJYJUKOSA-N -1 0 343.810 3.555 20 0 EHADRM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000739553122 600059204 /nfs/dbraw/zinc/05/92/04/600059204.db2.gz MPTNWYAHYPVVDY-KBPBESRZSA-N -1 0 338.388 3.623 20 0 EHADRM CC[C@H](CC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-])c1ccccc1 ZINC000358611785 600061993 /nfs/dbraw/zinc/06/19/93/600061993.db2.gz NYRYEROBGZGDKA-DDBAPUKQSA-N -1 0 329.440 3.815 20 0 EHADRM CC(C)Sc1ccc([C@H](C)NC(=O)c2cccc(C(=O)[O-])n2)cc1 ZINC000362496989 600063831 /nfs/dbraw/zinc/06/38/31/600063831.db2.gz HSGVKAOLFVYSLQ-LBPRGKRZSA-N -1 0 344.436 3.771 20 0 EHADRM CCOc1ccc2cc(C(=O)Nc3ccc(C)cc3C(=O)[O-])[nH]c2c1 ZINC000543446575 600072999 /nfs/dbraw/zinc/07/29/99/600072999.db2.gz LWVXKXNAXBMMMG-UHFFFAOYSA-N -1 0 338.363 3.826 20 0 EHADRM O=C([O-])C1CCC(NC(=O)c2sccc2-c2ccccc2)CC1 ZINC000261640937 600073776 /nfs/dbraw/zinc/07/37/76/600073776.db2.gz DEQFPNYQHLZYEG-UHFFFAOYSA-N -1 0 329.421 3.788 20 0 EHADRM CC(C)c1ccc2cc(C(=O)NC3CCC(C(=O)[O-])CC3)[nH]c2c1 ZINC000736520447 600074355 /nfs/dbraw/zinc/07/43/55/600074355.db2.gz HMKXGZQQIFHJQO-UHFFFAOYSA-N -1 0 328.412 3.665 20 0 EHADRM CCCc1c(C(=O)N[C@@H]2CCc3ccc(F)cc32)[nH]c(C)c1C(=O)[O-] ZINC000737039415 600075452 /nfs/dbraw/zinc/07/54/52/600075452.db2.gz BZBNKXMYORMPLB-OAHLLOKOSA-N -1 0 344.386 3.530 20 0 EHADRM CCN(C(=O)COc1ccc(Cl)cc1C(=O)[O-])C1CCCCC1 ZINC000320885553 600081087 /nfs/dbraw/zinc/08/10/87/600081087.db2.gz XXZYFSYYVWFNNB-UHFFFAOYSA-N -1 0 339.819 3.598 20 0 EHADRM CCOC(=O)[C@@H](Nc1ccc(F)c(NC(=O)[O-])c1)c1ccccc1 ZINC000737133212 600084620 /nfs/dbraw/zinc/08/46/20/600084620.db2.gz VPFHMIMEBKTCSZ-HNNXBMFYSA-N -1 0 332.331 3.632 20 0 EHADRM CCOc1ccc(CCC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000737206050 600085894 /nfs/dbraw/zinc/08/58/94/600085894.db2.gz VZTJXYBZMHLJSS-UHFFFAOYSA-N -1 0 346.358 3.886 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NCCCc1cccc(F)c1 ZINC000738535925 600086300 /nfs/dbraw/zinc/08/63/00/600086300.db2.gz RMRFOVKVMSHAIH-UHFFFAOYSA-N -1 0 330.359 3.587 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)CCc2cc(F)ccc2F)ccc1F ZINC000740006627 600086669 /nfs/dbraw/zinc/08/66/69/600086669.db2.gz RCVFQYWSYNAIPN-UHFFFAOYSA-N -1 0 338.285 3.765 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)[C@@H]2CCCc3ccccc32)ccc1F ZINC000740004902 600088050 /nfs/dbraw/zinc/08/80/50/600088050.db2.gz AHPFOKNRPZRRLD-CQSZACIVSA-N -1 0 328.343 3.974 20 0 EHADRM CCc1cccc2c(CC(=O)OCc3cc(C(=O)[O-])oc3C)c[nH]c21 ZINC000737270014 600089255 /nfs/dbraw/zinc/08/92/55/600089255.db2.gz NSSIQRDGOLJOOW-UHFFFAOYSA-N -1 0 341.363 3.616 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)COc2cccc(Cl)c2)ccc1F ZINC000740004511 600089732 /nfs/dbraw/zinc/08/97/32/600089732.db2.gz DCLBZNMKUNORQS-UHFFFAOYSA-N -1 0 338.722 3.587 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1nc(-c2ccc(COc3ccccc3)cc2)no1 ZINC000739560012 600109052 /nfs/dbraw/zinc/10/90/52/600109052.db2.gz KXBMIAVDLKMWSG-HZPDHXFCSA-N -1 0 336.347 3.504 20 0 EHADRM COc1ccc(NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1Cl ZINC000326360317 600111404 /nfs/dbraw/zinc/11/14/04/600111404.db2.gz RHJHYVQFOAIEOM-UHFFFAOYSA-N -1 0 346.770 3.595 20 0 EHADRM CC(C)OCc1ccc(C(=O)OCc2ccc(F)cc2C(=O)[O-])cc1 ZINC000736486069 600112457 /nfs/dbraw/zinc/11/24/57/600112457.db2.gz LVZLGUWRQVFFEK-UHFFFAOYSA-N -1 0 346.354 3.806 20 0 EHADRM Cc1nc2ccccc2cc1C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000738874971 600112941 /nfs/dbraw/zinc/11/29/41/600112941.db2.gz NRJLEMZRRAZGRT-UHFFFAOYSA-N -1 0 339.322 3.738 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)C1(c2ccc(F)cc2)CCC1 ZINC000740077060 600113363 /nfs/dbraw/zinc/11/33/63/600113363.db2.gz BEWJPLYRBGFHCC-UHFFFAOYSA-N -1 0 346.329 3.828 20 0 EHADRM Cc1cc2ccccc2n1Cc1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000738478296 600114065 /nfs/dbraw/zinc/11/40/65/600114065.db2.gz HYEBDDVZXGPKSE-UHFFFAOYSA-N -1 0 333.347 3.746 20 0 EHADRM O=C([O-])C1CCC(NC(=O)Nc2cccc(SC(F)F)c2)CC1 ZINC000263513546 600114306 /nfs/dbraw/zinc/11/43/06/600114306.db2.gz YTJDAZAASCUPNZ-UHFFFAOYSA-N -1 0 344.383 3.766 20 0 EHADRM O=C([O-])C1CCC(NC(=O)Nc2cc(C(F)(F)F)ccc2F)CC1 ZINC000261725740 600114628 /nfs/dbraw/zinc/11/46/28/600114628.db2.gz RFLYYNJWWOYNRZ-UHFFFAOYSA-N -1 0 348.296 3.609 20 0 EHADRM Cc1cc(Cl)ccc1OCc1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000738396287 600114701 /nfs/dbraw/zinc/11/47/01/600114701.db2.gz AKKARDGIVCGKKH-UHFFFAOYSA-N -1 0 344.754 3.976 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000740079271 600115423 /nfs/dbraw/zinc/11/54/23/600115423.db2.gz NNLZLXWMZIAKHZ-KOLCDFICSA-N -1 0 348.292 3.936 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000736622878 600116675 /nfs/dbraw/zinc/11/66/75/600116675.db2.gz WCYXQGAGHYJQLQ-LLVKDONJSA-N -1 0 334.318 3.585 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)NCCSC(C)(C)C)C(=O)[O-] ZINC000262140854 600121913 /nfs/dbraw/zinc/12/19/13/600121913.db2.gz NIAPWLAIJGLGBY-LLVKDONJSA-N -1 0 341.498 3.513 20 0 EHADRM CCCn1ccc2cc(NC(=O)N3CCC(CC(=O)[O-])CC3)ccc21 ZINC000737049047 600121935 /nfs/dbraw/zinc/12/19/35/600121935.db2.gz AVQCEJLVEDJIFT-UHFFFAOYSA-N -1 0 343.427 3.770 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)NC[C@@H]2CC=CCC2)c1 ZINC000739754600 600124498 /nfs/dbraw/zinc/12/44/98/600124498.db2.gz UMQIUQNMWORPEK-CQSZACIVSA-N -1 0 348.468 3.872 20 0 EHADRM C[C@H](C1CC1)N(C)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000736541707 600124894 /nfs/dbraw/zinc/12/48/94/600124894.db2.gz ZJVUQHWJVJIUPD-GFCCVEGCSA-N -1 0 336.457 3.657 20 0 EHADRM CC[C@](NC(=O)C[C@H](C)c1ccccc1F)(C(=O)[O-])c1ccccc1 ZINC000485380197 600130900 /nfs/dbraw/zinc/13/09/00/600130900.db2.gz PDGCMWZVHYUKAU-VBKZILBWSA-N -1 0 343.398 3.826 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1C[C@@H]1c1ccc(N(C)C)cc1 ZINC000738525686 600140941 /nfs/dbraw/zinc/14/09/41/600140941.db2.gz NDQXOYLAAKLHLX-IAGOWNOFSA-N -1 0 338.407 3.501 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000738125454 600143914 /nfs/dbraw/zinc/14/39/14/600143914.db2.gz CFIFIUXGTCLXBQ-LBPRGKRZSA-N -1 0 345.370 3.740 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1sccc1SC(F)F)c1ccccc1 ZINC000739375326 600146547 /nfs/dbraw/zinc/14/65/47/600146547.db2.gz ZJUDDNKKLYFMHO-JTQLQIEISA-N -1 0 343.376 3.619 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)c1cccc(C(F)F)c1 ZINC000739723493 600153025 /nfs/dbraw/zinc/15/30/25/600153025.db2.gz KKTYZDCXPYQYGW-UHFFFAOYSA-N -1 0 333.334 3.741 20 0 EHADRM Cc1ccc2oc(C(=O)Nc3ccc(N(C)C(=O)[O-])cc3)cc2n1 ZINC000738309755 600158574 /nfs/dbraw/zinc/15/85/74/600158574.db2.gz ZXRWRWZJIYRNJH-UHFFFAOYSA-N -1 0 325.324 3.503 20 0 EHADRM CC(C)(C)c1ccc(C2(CNC(=O)C(C)(C)NC(=O)[O-])CCC2)cc1 ZINC000736328582 600159343 /nfs/dbraw/zinc/15/93/43/600159343.db2.gz QEXDBINPHFDAOJ-UHFFFAOYSA-N -1 0 346.471 3.568 20 0 EHADRM C[C@H](NC(=O)C(C)(C)NC(=O)[O-])c1ccc(Oc2ccccc2)cc1 ZINC000736634662 600160049 /nfs/dbraw/zinc/16/00/49/600160049.db2.gz ZWBYITRCCGREKO-ZDUSSCGKSA-N -1 0 342.395 3.702 20 0 EHADRM COc1ccc(C(=O)[O-])c(OCc2ncc(-c3ccc(F)cc3)o2)c1 ZINC000326826392 600160138 /nfs/dbraw/zinc/16/01/38/600160138.db2.gz ZLLFUISDIRXVPE-UHFFFAOYSA-N -1 0 343.310 3.767 20 0 EHADRM Cc1ccc2c(Cl)c(C(=O)N3CCC[C@H](C(=O)[O-])C3)sc2c1 ZINC000680952768 600160483 /nfs/dbraw/zinc/16/04/83/600160483.db2.gz ILEUHSHSTQTXHR-JTQLQIEISA-N -1 0 337.828 3.800 20 0 EHADRM C[C@@H](OC(=O)c1cc(F)c(Cl)nc1Cl)c1ccc(C(=O)[O-])o1 ZINC000736692834 600164478 /nfs/dbraw/zinc/16/44/78/600164478.db2.gz XNRHRSQINMIKRC-RXMQYKEDSA-N -1 0 348.113 3.737 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@@H](C)c1cc2ccccc2s1 ZINC000736422104 600166439 /nfs/dbraw/zinc/16/64/39/600166439.db2.gz OZYJTZYKLFKGGS-AAEUAGOBSA-N -1 0 334.441 3.761 20 0 EHADRM CN(Cc1ccc(F)cc1Cl)c1nc(Cl)c(C(=O)[O-])s1 ZINC000737476183 600167263 /nfs/dbraw/zinc/16/72/63/600167263.db2.gz FTRIMGKKCJHLBM-UHFFFAOYSA-N -1 0 335.187 3.924 20 0 EHADRM Cc1cc(NC(=O)c2cnc(-c3ccccc3F)s2)c(C(=O)[O-])[nH]1 ZINC000738453411 600169981 /nfs/dbraw/zinc/16/99/81/600169981.db2.gz LHRBFFJDVMUWGU-UHFFFAOYSA-N -1 0 345.355 3.536 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)/C=C(/C)c1cccc(F)c1 ZINC000737866719 600190296 /nfs/dbraw/zinc/19/02/96/600190296.db2.gz NQKUBTHUMJNFIN-FLIBITNWSA-N -1 0 330.311 3.541 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000736618445 600191111 /nfs/dbraw/zinc/19/11/11/600191111.db2.gz QIFRLGJXHGAPLB-ZDUSSCGKSA-N -1 0 329.421 3.776 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000738121987 600199741 /nfs/dbraw/zinc/19/97/41/600199741.db2.gz VLHXJBFRRIBEJC-LUAWRHEFSA-N -1 0 329.327 3.575 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)c(F)c1 ZINC000740146950 600200925 /nfs/dbraw/zinc/20/09/25/600200925.db2.gz ZXXYARWOOPGXGB-OLZOCXBDSA-N -1 0 333.746 3.920 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@H](C)CSc2ccccc2)c1 ZINC000737932406 600203242 /nfs/dbraw/zinc/20/32/42/600203242.db2.gz TWJMLVUKFAKANG-GFCCVEGCSA-N -1 0 345.420 3.760 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)C[C@H](C)c2cccc(F)c2)c1 ZINC000737939287 600206076 /nfs/dbraw/zinc/20/60/76/600206076.db2.gz AFXZZNXILLOZEX-NSHDSACASA-N -1 0 332.327 3.632 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000237509336 600206752 /nfs/dbraw/zinc/20/67/52/600206752.db2.gz HQXVKRMYMQYEDW-MRXNPFEDSA-N -1 0 325.408 3.602 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)cc1 ZINC000238043775 600207950 /nfs/dbraw/zinc/20/79/50/600207950.db2.gz RUUMEJAMLWWLCC-UONOGXRCSA-N -1 0 345.345 3.724 20 0 EHADRM C[C@@H](CC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1cccc(F)c1 ZINC000621556414 600208382 /nfs/dbraw/zinc/20/83/82/600208382.db2.gz KEIGKDXZGWZGSS-LBPRGKRZSA-N -1 0 327.355 3.560 20 0 EHADRM O=C([O-])c1occc1CN1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000578875160 600217941 /nfs/dbraw/zinc/21/79/41/600217941.db2.gz JTWHCMMLKQROMW-AWEZNQCLSA-N -1 0 337.828 3.921 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)Cc2cccc3ccccc32)c2ccccc21 ZINC000177480316 600218888 /nfs/dbraw/zinc/21/88/88/600218888.db2.gz PZMHHRDMLZJXPL-GOSISDBHSA-N -1 0 331.371 3.597 20 0 EHADRM Cc1ccc(SCCC(=O)N2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000325342639 600221975 /nfs/dbraw/zinc/22/19/75/600221975.db2.gz KMXNXOGISBFRSF-INIZCTEOSA-N -1 0 341.432 3.692 20 0 EHADRM Cc1cc2occ(CC(=O)N3C[C@@H](C(=O)[O-])c4ccccc43)c2cc1C ZINC000192947974 600226920 /nfs/dbraw/zinc/22/69/20/600226920.db2.gz RXDOSGZEMZZMBB-QGZVFWFLSA-N -1 0 349.386 3.807 20 0 EHADRM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(SCc2ccccc2)cc1 ZINC000262191894 600237124 /nfs/dbraw/zinc/23/71/24/600237124.db2.gz YUVVZSTVVURDAT-KRWDZBQOSA-N -1 0 341.432 3.668 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)cc1 ZINC000740132156 600239265 /nfs/dbraw/zinc/23/92/65/600239265.db2.gz DCEOBEHOROVCLM-QWHCGFSZSA-N -1 0 332.302 3.510 20 0 EHADRM C[C@H]1CCCC[C@@H]1OCC(=O)Oc1cc(Cl)ccc1C(=O)[O-] ZINC000736781981 600241736 /nfs/dbraw/zinc/24/17/36/600241736.db2.gz BIECDXBVCMDDLJ-GWCFXTLKSA-N -1 0 326.776 3.539 20 0 EHADRM O=C([O-])COc1ccc(-c2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000739819242 600244317 /nfs/dbraw/zinc/24/43/17/600244317.db2.gz KBXAUIBEAXQAPZ-UHFFFAOYSA-N -1 0 330.727 3.520 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc(Oc3nccs3)c2)s1 ZINC000739468340 600247135 /nfs/dbraw/zinc/24/71/35/600247135.db2.gz HLYKKTZPQHCMOU-UHFFFAOYSA-N -1 0 346.389 3.947 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)C[C@H](C)c1ccccc1C ZINC000738084474 600249253 /nfs/dbraw/zinc/24/92/53/600249253.db2.gz ICKBFKSWQUHWPW-ZDUSSCGKSA-N -1 0 328.364 3.801 20 0 EHADRM Cc1ccc(N2CCCC2)c(C(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC000261949093 600250022 /nfs/dbraw/zinc/25/00/22/600250022.db2.gz PEOVOSMTEZQVGJ-UHFFFAOYSA-N -1 0 342.370 3.685 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1oc2ccc(F)cc2c1C ZINC000738088401 600250241 /nfs/dbraw/zinc/25/02/41/600250241.db2.gz ILJDKOHPQRZXSB-UHFFFAOYSA-N -1 0 344.294 3.806 20 0 EHADRM CC[C@H](CC(=O)Oc1c(OC)cccc1C(=O)[O-])c1ccccc1 ZINC000736892775 600250733 /nfs/dbraw/zinc/25/07/33/600250733.db2.gz CNNUWTLXRRJXOL-CYBMUJFWSA-N -1 0 328.364 3.883 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)/C=C/c1ccccc1Cl ZINC000738085261 600251146 /nfs/dbraw/zinc/25/11/46/600251146.db2.gz LWMGLJHXOSXZGP-MDZDMXLPSA-N -1 0 332.739 3.666 20 0 EHADRM CCc1[nH]c(C(=O)N2CCCCC[C@@H]2c2ccco2)c(C)c1C(=O)[O-] ZINC000737241312 600253386 /nfs/dbraw/zinc/25/33/86/600253386.db2.gz LSABXIVJJAZHSC-CQSZACIVSA-N -1 0 344.411 3.934 20 0 EHADRM Cc1cc(NC(=O)c2[nH]c3ccc(F)cc3c2Cl)c(C(=O)[O-])[nH]1 ZINC000738444677 600255956 /nfs/dbraw/zinc/25/59/56/600255956.db2.gz SQIOSGMMIQLCKV-UHFFFAOYSA-N -1 0 335.722 3.547 20 0 EHADRM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000237573267 600258498 /nfs/dbraw/zinc/25/84/98/600258498.db2.gz UHGSPWSSLQJQPR-JQWIXIFHSA-N -1 0 333.384 3.604 20 0 EHADRM CC(C)C(=O)Nc1cccc(OCc2ccc(F)cc2C(=O)[O-])c1 ZINC000736347359 600259695 /nfs/dbraw/zinc/25/96/95/600259695.db2.gz HVMAVQSPLJFOOG-UHFFFAOYSA-N -1 0 331.343 3.697 20 0 EHADRM CC(C)Sc1ccc(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000262115323 600267005 /nfs/dbraw/zinc/26/70/05/600267005.db2.gz KLPPYJCYESFICH-OAHLLOKOSA-N -1 0 333.453 3.514 20 0 EHADRM O=C([O-])Cc1csc(NC(=O)N2CCCCC[C@H]2c2ccco2)n1 ZINC000738633398 600267313 /nfs/dbraw/zinc/26/73/13/600267313.db2.gz GQYAIQKNRHZSJC-LBPRGKRZSA-N -1 0 349.412 3.512 20 0 EHADRM CC(C)(C)c1ccc(CCC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000262421611 600273938 /nfs/dbraw/zinc/27/39/38/600273938.db2.gz KZHNKAMZBDHETO-QGZVFWFLSA-N -1 0 343.467 3.630 20 0 EHADRM CCCCc1nc(CSc2nc3ccc(C(=O)[O-])cc3o2)no1 ZINC000737004985 600275371 /nfs/dbraw/zinc/27/53/71/600275371.db2.gz YBSXBUZBGRTIJD-UHFFFAOYSA-N -1 0 333.369 3.544 20 0 EHADRM CC(C)Sc1ccccc1C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000262413710 600277062 /nfs/dbraw/zinc/27/70/62/600277062.db2.gz JQCVEXHAAIAAST-AWEZNQCLSA-N -1 0 333.453 3.514 20 0 EHADRM Cc1cccc(C(C)(C)NC(=O)Nc2ccc(CC(=O)[O-])cc2)c1 ZINC000738692615 600277398 /nfs/dbraw/zinc/27/73/98/600277398.db2.gz MAYGITBINYRAFQ-UHFFFAOYSA-N -1 0 326.396 3.679 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)NC2(c3ccccc3F)CC2)cc1 ZINC000739758433 600279356 /nfs/dbraw/zinc/27/93/56/600279356.db2.gz CELMVLBISYVIIP-UHFFFAOYSA-N -1 0 342.370 3.654 20 0 EHADRM Cc1ccc(NC(=S)Nc2ccc(CNC(=O)[O-])cc2)cc1F ZINC000738628909 600279792 /nfs/dbraw/zinc/27/97/92/600279792.db2.gz ULPANHQQTOEJNA-UHFFFAOYSA-N -1 0 333.388 3.711 20 0 EHADRM Cc1cccc(NC(=S)Nc2ccc(CN(C)C(=O)[O-])cc2)c1 ZINC000738735554 600279929 /nfs/dbraw/zinc/27/99/29/600279929.db2.gz CWBRHSAIOSHSQY-UHFFFAOYSA-N -1 0 329.425 3.914 20 0 EHADRM CC[C@H](NC(=S)Nc1ccc(CNC(=O)[O-])cc1)c1cccs1 ZINC000736920295 600280289 /nfs/dbraw/zinc/28/02/89/600280289.db2.gz QNQXFNBYJVXJFH-ZDUSSCGKSA-N -1 0 349.481 3.953 20 0 EHADRM COc1ccccc1[C@@H](C)NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000738122216 600283654 /nfs/dbraw/zinc/28/36/54/600283654.db2.gz XICPHBIGZYOLDR-SNVBAGLBSA-N -1 0 348.786 3.930 20 0 EHADRM C/C(=C/C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)c1cccc(F)c1 ZINC000736122258 600284314 /nfs/dbraw/zinc/28/43/14/600284314.db2.gz YODGDIPJRCTLNM-RAXLEYEMSA-N -1 0 342.370 3.978 20 0 EHADRM COc1ccc(CN(C)C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000325586525 600286542 /nfs/dbraw/zinc/28/65/42/600286542.db2.gz BFHCIGVEYAVLSO-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 ZINC000739986985 600291041 /nfs/dbraw/zinc/29/10/41/600291041.db2.gz SKDKRAWJOQDEIK-UHFFFAOYSA-N -1 0 338.407 3.905 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)c2cc3ccccc3s2)cc1 ZINC000739990988 600295671 /nfs/dbraw/zinc/29/56/71/600295671.db2.gz GTQHOXATLKAWJW-UHFFFAOYSA-N -1 0 326.377 3.921 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)C[C@@H]2CCCc3ccccc32)cc1 ZINC000739987221 600295764 /nfs/dbraw/zinc/29/57/64/600295764.db2.gz WVSAFPPTIAAGBF-INIZCTEOSA-N -1 0 338.407 3.903 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)Nc1nc(/C=C/c2ccccc2)cs1 ZINC000736383384 600298257 /nfs/dbraw/zinc/29/82/57/600298257.db2.gz XVRJAOOGVDLIJC-VFNNOXKTSA-N -1 0 345.424 3.544 20 0 EHADRM CN(Cc1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1)C(=O)[O-] ZINC000737485656 600305861 /nfs/dbraw/zinc/30/58/61/600305861.db2.gz ZMLVNBRPEHUDMV-UHFFFAOYSA-N -1 0 341.342 3.669 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)cc1 ZINC000739992236 600308412 /nfs/dbraw/zinc/30/84/12/600308412.db2.gz RGLWMGHVUGEXHN-UHFFFAOYSA-N -1 0 343.770 3.841 20 0 EHADRM Cc1sc2ncnc(Nc3ccc(CNC(=O)[O-])cc3)c2c1C ZINC000738995609 600313539 /nfs/dbraw/zinc/31/35/39/600313539.db2.gz IFCDNHIYRFTIIJ-UHFFFAOYSA-N -1 0 328.397 3.819 20 0 EHADRM Cn1c2ccccc2nc1[C@@H]1CCCCN1Cc1ccc(C(=O)[O-])o1 ZINC000739012879 600314469 /nfs/dbraw/zinc/31/44/69/600314469.db2.gz SVYALLUWTPZWDD-INIZCTEOSA-N -1 0 339.395 3.592 20 0 EHADRM O=C([O-])[C@H](OC(=O)/C=C\c1cccc(F)c1)c1cccc(Cl)c1 ZINC000739214028 600321207 /nfs/dbraw/zinc/32/12/07/600321207.db2.gz BPUCDCBIZQCMES-XITLMJRVSA-N -1 0 334.730 3.861 20 0 EHADRM CCn1c(C)cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1C ZINC000737293423 600322109 /nfs/dbraw/zinc/32/21/09/600322109.db2.gz CICJJZGFGVCPSE-OAHLLOKOSA-N -1 0 335.787 3.761 20 0 EHADRM Nc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)c(Cl)c1 ZINC000739204305 600327752 /nfs/dbraw/zinc/32/77/52/600327752.db2.gz YOAPWRXVVITHHZ-ZDUSSCGKSA-N -1 0 340.162 3.558 20 0 EHADRM Cc1ccc(C)c(NC(=O)[C@@H](C)Nc2ccc(CNC(=O)[O-])cc2)c1 ZINC000738573711 600328173 /nfs/dbraw/zinc/32/81/73/600328173.db2.gz GYJVJDOSHMJEHH-CQSZACIVSA-N -1 0 341.411 3.510 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1nccc2ccccc21)c1cccc(Cl)c1 ZINC000740300959 600328261 /nfs/dbraw/zinc/32/82/61/600328261.db2.gz YGZWMTJZRAATJN-MRXNPFEDSA-N -1 0 341.750 3.871 20 0 EHADRM O=C([O-])CCN(Cc1ccc(F)c(F)c1)Cc1cccc(F)c1F ZINC000739720274 600329449 /nfs/dbraw/zinc/32/94/49/600329449.db2.gz PKHZYDSRIQYBGV-UHFFFAOYSA-N -1 0 341.304 3.720 20 0 EHADRM COc1ccc([C@H](C)C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000737951463 600329680 /nfs/dbraw/zinc/32/96/80/600329680.db2.gz VPIFZJYWXXDDCK-ZBEGNZNMSA-N -1 0 348.782 3.821 20 0 EHADRM O=C([O-])NCc1ccc(NCc2cccc(OC(F)(F)F)c2)cc1 ZINC000740000033 600329822 /nfs/dbraw/zinc/32/98/22/600329822.db2.gz BAZXIMYKUKLQNB-UHFFFAOYSA-N -1 0 340.301 3.965 20 0 EHADRM CCCOc1ccc(NC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c(C)c1 ZINC000737031253 600336938 /nfs/dbraw/zinc/33/69/38/600336938.db2.gz LJGRBDTUVJAFSD-OAHLLOKOSA-N -1 0 346.427 3.502 20 0 EHADRM CC1(C)CO[C@H](c2ccccc2Cl)CN1Cc1ccoc1C(=O)[O-] ZINC000736737597 600337099 /nfs/dbraw/zinc/33/70/99/600337099.db2.gz UFYWGUVPQLNBDE-HNNXBMFYSA-N -1 0 349.814 3.983 20 0 EHADRM CC(C)CCc1ccccc1NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736436112 600337578 /nfs/dbraw/zinc/33/75/78/600337578.db2.gz QOLLKPNXTUSPJA-INIZCTEOSA-N -1 0 344.455 3.994 20 0 EHADRM Cc1ccccc1CN(C)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000738771643 600348528 /nfs/dbraw/zinc/34/85/28/600348528.db2.gz SDMYSDWVQIXSNW-UHFFFAOYSA-N -1 0 341.411 3.769 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000739987541 600349499 /nfs/dbraw/zinc/34/94/99/600349499.db2.gz CBFLMVVZVWRXMY-KRWDZBQOSA-N -1 0 339.395 3.653 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccccc1 ZINC000736914505 600350273 /nfs/dbraw/zinc/35/02/73/600350273.db2.gz UFYPUVTZFQQXLM-INIZCTEOSA-N -1 0 327.384 3.727 20 0 EHADRM C[C@@H]1CCC[C@H](CCNC(=O)Nc2ccc(CNC(=O)[O-])cc2)C1 ZINC000736774166 600353496 /nfs/dbraw/zinc/35/34/96/600353496.db2.gz GTJHFPWJMIPOJG-ZIAGYGMSSA-N -1 0 333.432 3.792 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000739987450 600356185 /nfs/dbraw/zinc/35/61/85/600356185.db2.gz AQLHLHWXAKTNDJ-BFYDXBDKSA-N -1 0 345.443 3.935 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=S)Nc2ccc(Cl)cc2)cc1 ZINC000740020280 600366544 /nfs/dbraw/zinc/36/65/44/600366544.db2.gz NHCMMVDYTMHZLF-UHFFFAOYSA-N -1 0 349.843 3.959 20 0 EHADRM Cc1oc(-c2ccccc2F)nc1C(=O)Oc1cccc(C(=O)[O-])c1 ZINC000738956223 600367472 /nfs/dbraw/zinc/36/74/72/600367472.db2.gz ONKNQVGZMSOLIY-UHFFFAOYSA-N -1 0 341.294 3.707 20 0 EHADRM Cc1sc(NC(=O)c2coc(-c3ccccc3)n2)c(C(=O)[O-])c1C ZINC000738399204 600367487 /nfs/dbraw/zinc/36/74/87/600367487.db2.gz UNCYRVQIAUSABL-UHFFFAOYSA-N -1 0 342.376 3.970 20 0 EHADRM Cc1oc(-c2ccccc2F)nc1C(=O)Nc1ccsc1C(=O)[O-] ZINC000738955598 600368240 /nfs/dbraw/zinc/36/82/40/600368240.db2.gz JXWUQRFPDQQPDI-UHFFFAOYSA-N -1 0 346.339 3.801 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC000736617451 600371108 /nfs/dbraw/zinc/37/11/08/600371108.db2.gz GWOUWJFGDFISPC-ZDUSSCGKSA-N -1 0 330.405 3.856 20 0 EHADRM C[C@H](OC(=O)c1ccc(-c2ccccc2)[nH]1)c1ccc(C(=O)[O-])o1 ZINC000736689824 600371278 /nfs/dbraw/zinc/37/12/78/600371278.db2.gz KPFBYGCXKJZSNZ-NSHDSACASA-N -1 0 325.320 3.891 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000738966423 600371759 /nfs/dbraw/zinc/37/17/59/600371759.db2.gz UBJKWALZDSTUMP-UHFFFAOYSA-N -1 0 325.320 3.638 20 0 EHADRM Cc1cc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)sc1C(=O)[O-] ZINC000738233997 600372400 /nfs/dbraw/zinc/37/24/00/600372400.db2.gz FRGGZPYYPDSAQM-IUCAKERBSA-N -1 0 337.347 3.775 20 0 EHADRM C[C@H](CC(=O)NC1(C(=O)[O-])CCCC1)c1cccc(C(F)(F)F)c1 ZINC000237592356 600374022 /nfs/dbraw/zinc/37/40/22/600374022.db2.gz QTJPHFTXTKQJDG-LLVKDONJSA-N -1 0 343.345 3.713 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000676002242 600374646 /nfs/dbraw/zinc/37/46/46/600374646.db2.gz GNRLOJHBOZNYRY-JTQLQIEISA-N -1 0 335.762 3.995 20 0 EHADRM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CC/C=C\c1ccccc1 ZINC000362519382 600374652 /nfs/dbraw/zinc/37/46/52/600374652.db2.gz MISIVWIBXRCKAI-CUPZGDSWSA-N -1 0 335.403 3.518 20 0 EHADRM COc1ccc(CNC(=O)CC/C=C\c2ccccc2)cc1C(=O)[O-] ZINC000485514038 600374662 /nfs/dbraw/zinc/37/46/62/600374662.db2.gz KOQAQTKUYYFJMA-UITAMQMPSA-N -1 0 339.391 3.503 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)Nc2cccc(OCC(=O)[O-])c2)cc1 ZINC000236954164 600374989 /nfs/dbraw/zinc/37/49/89/600374989.db2.gz YYGIPWIZDCJYLE-AWEZNQCLSA-N -1 0 341.407 3.845 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC000737258153 600375104 /nfs/dbraw/zinc/37/51/04/600375104.db2.gz YKPNGCAQMLYLRJ-FCLVOEFKSA-N -1 0 343.467 3.987 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000736628501 600375358 /nfs/dbraw/zinc/37/53/58/600375358.db2.gz YFUOKHYFGMDNIQ-JTQLQIEISA-N -1 0 335.762 3.995 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CC/C=C\c1ccccc1)c1ccc(F)cc1 ZINC000362442986 600376827 /nfs/dbraw/zinc/37/68/27/600376827.db2.gz XBMPDDHPQOWPCG-MSEQUDFZSA-N -1 0 341.382 3.951 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H](C)c2ccsc2)cc1 ZINC000262125593 600377723 /nfs/dbraw/zinc/37/77/23/600377723.db2.gz JHWQVFLDZOJLIW-ABAIWWIYSA-N -1 0 349.477 3.906 20 0 EHADRM O=C([O-])[C@H](Sc1nnc(-c2ccncc2)o1)c1cccc(Cl)c1 ZINC000739513959 600378275 /nfs/dbraw/zinc/37/82/75/600378275.db2.gz UBAXCNVUJUXFHY-GFCCVEGCSA-N -1 0 347.783 3.703 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)CCc1ccc(C)cc1)c1ccccc1 ZINC000736845330 600379647 /nfs/dbraw/zinc/37/96/47/600379647.db2.gz ATFGUGDHUHYVQR-GOSISDBHSA-N -1 0 325.408 3.824 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1cccc(OC(F)F)c1)c1ccccc1 ZINC000736852345 600379792 /nfs/dbraw/zinc/37/97/92/600379792.db2.gz WMSOTHMERGKIDS-HNNXBMFYSA-N -1 0 349.333 3.798 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)/C=C\c1ccnc2ccccc12 ZINC000493226116 600380505 /nfs/dbraw/zinc/38/05/05/600380505.db2.gz FRZWSBNOOSFDKK-HJWRWDBZSA-N -1 0 332.359 3.893 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)c1 ZINC000740028858 600381031 /nfs/dbraw/zinc/38/10/31/600381031.db2.gz JEFQPZLUVBWQAQ-MAUKXSAKSA-N -1 0 338.407 3.918 20 0 EHADRM O=C([O-])C[C@H](NC(=O)/C=C\c1ccnc2ccccc12)c1ccccc1 ZINC000255696475 600381352 /nfs/dbraw/zinc/38/13/52/600381352.db2.gz FSWWBOZXZMHVPV-GDWUOILNSA-N -1 0 346.386 3.580 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)C[C@@H]2CCOc3ccccc32)cc1 ZINC000238040168 600383201 /nfs/dbraw/zinc/38/32/01/600383201.db2.gz JSWWVMZKDPDISD-HNNXBMFYSA-N -1 0 339.391 3.599 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1csc(C(C)C)n1)c1ccccc1 ZINC000736851309 600384198 /nfs/dbraw/zinc/38/41/98/600384198.db2.gz OTAVKDQXKDRVIV-AWEZNQCLSA-N -1 0 332.425 3.777 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@H](C)c1ccc(OC)cc1)c1ccccc1 ZINC000736847520 600384636 /nfs/dbraw/zinc/38/46/36/600384636.db2.gz LJJJREKUIXSNIM-KDOFPFPSSA-N -1 0 341.407 3.695 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1cccc2ncccc21)c1ccccc1 ZINC000736852768 600386149 /nfs/dbraw/zinc/38/61/49/600386149.db2.gz ZOGLKXUTLTVJNQ-SFHVURJKSA-N -1 0 334.375 3.745 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1ccc(OC)cc1Cl)c1ccccc1 ZINC000736849896 600386440 /nfs/dbraw/zinc/38/64/40/600386440.db2.gz BBVYLPWTXVBGIY-MRXNPFEDSA-N -1 0 347.798 3.859 20 0 EHADRM CCOc1cc(C(=O)N(c2ccccc2)[C@@H](CC)C(=O)[O-])ccc1C ZINC000737183039 600388982 /nfs/dbraw/zinc/38/89/82/600388982.db2.gz QOBYPBMMLBNPJO-KRWDZBQOSA-N -1 0 341.407 3.904 20 0 EHADRM CCc1ccc([C@H]2CCCN2C(=O)CCc2ccc(C(=O)[O-])cc2)o1 ZINC000262460496 600389638 /nfs/dbraw/zinc/38/96/38/600389638.db2.gz YAIGLQMBAAPVEF-QGZVFWFLSA-N -1 0 341.407 3.837 20 0 EHADRM Cc1ncsc1C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000237658107 600390666 /nfs/dbraw/zinc/39/06/66/600390666.db2.gz NNKGPYIWFUIFJG-CQSZACIVSA-N -1 0 346.452 3.695 20 0 EHADRM CC(C)Oc1cccc(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC000736494945 600390840 /nfs/dbraw/zinc/39/08/40/600390840.db2.gz SINVJNYWNJCCKR-UHFFFAOYSA-N -1 0 346.358 3.633 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)o1 ZINC000736766703 600391314 /nfs/dbraw/zinc/39/13/14/600391314.db2.gz VPVXAEBPVOKNNS-SKDRFNHKSA-N -1 0 332.331 3.562 20 0 EHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2cccs2)cc1 ZINC000236604841 600391930 /nfs/dbraw/zinc/39/19/30/600391930.db2.gz UHODYDCKUSQZQS-MRXNPFEDSA-N -1 0 345.464 3.920 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)C[C@@H]2C=CCC2)cc1 ZINC000236610790 600392272 /nfs/dbraw/zinc/39/22/72/600392272.db2.gz WEYGDWOIVNWKPD-PBHICJAKSA-N -1 0 329.440 3.972 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)C2CCSCC2)cc1 ZINC000262819032 600392596 /nfs/dbraw/zinc/39/25/96/600392596.db2.gz VQDVYTDBPHFBBA-INIZCTEOSA-N -1 0 349.496 3.759 20 0 EHADRM CCc1nc([C@H](C)NC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)cs1 ZINC000737276677 600392752 /nfs/dbraw/zinc/39/27/52/600392752.db2.gz MQWMEHCJBUZYNL-JTQLQIEISA-N -1 0 348.428 3.702 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccccc1F ZINC000736321484 600403579 /nfs/dbraw/zinc/40/35/79/600403579.db2.gz DVIIILVQZMEOHA-UHFFFAOYSA-N -1 0 348.349 3.762 20 0 EHADRM CC[C@H]1CCCCN1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736942190 600407379 /nfs/dbraw/zinc/40/73/79/600407379.db2.gz RARZGQJPAXFRQR-NSHDSACASA-N -1 0 342.342 3.783 20 0 EHADRM O=C([O-])CCCCCCNC(=O)N[C@H]1CCC[C@H]1c1ccccc1 ZINC000739666880 600411136 /nfs/dbraw/zinc/41/11/36/600411136.db2.gz WSXZIHKRFXOSDW-IRXDYDNUSA-N -1 0 332.444 3.657 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC000387143959 600427858 /nfs/dbraw/zinc/42/78/58/600427858.db2.gz DRQKBUTVWHDTGE-SECBINFHSA-N -1 0 336.800 3.553 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC000321872507 600428431 /nfs/dbraw/zinc/42/84/31/600428431.db2.gz OPKKEIYLCUUNOM-UHFFFAOYSA-N -1 0 330.727 3.740 20 0 EHADRM O=C([O-])[C@@H](Nc1cccc(COCC2CC2)c1)c1ccc(F)cc1 ZINC000739511267 600430599 /nfs/dbraw/zinc/43/05/99/600430599.db2.gz GJFDNOUCTIMHBR-SFHVURJKSA-N -1 0 329.371 3.990 20 0 EHADRM CC(C)c1ccc(SCC(=O)Nc2cc(C(=O)[O-])ccn2)cc1 ZINC000736521224 600432704 /nfs/dbraw/zinc/43/27/04/600432704.db2.gz MQDHFDXYGHAKMD-UHFFFAOYSA-N -1 0 330.409 3.634 20 0 EHADRM O=C([O-])c1sc(NCCNc2ccc3ccccc3n2)nc1Cl ZINC000740280725 600432942 /nfs/dbraw/zinc/43/29/42/600432942.db2.gz YYIDYOWNPILQPV-UHFFFAOYSA-N -1 0 348.815 3.567 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NCc1cc(-c2ccccc2)no1 ZINC000738474412 600436067 /nfs/dbraw/zinc/43/60/67/600436067.db2.gz NRVQWJHTOPJCBM-UHFFFAOYSA-N -1 0 338.363 3.726 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)c2cccc3c2OCO3)s1 ZINC000736295454 600451500 /nfs/dbraw/zinc/45/15/00/600451500.db2.gz YYDFRTFKOQWUGC-UHFFFAOYSA-N -1 0 347.392 3.725 20 0 EHADRM Cc1cc(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)no1 ZINC000738442825 600455384 /nfs/dbraw/zinc/45/53/84/600455384.db2.gz TZNBVENWYYHRNQ-AWEZNQCLSA-N -1 0 345.399 3.618 20 0 EHADRM Cc1ccc2cccc(NC(=O)NCc3ccc(C(=O)[O-])cc3)c2n1 ZINC000392886552 600456082 /nfs/dbraw/zinc/45/60/82/600456082.db2.gz XEJMWTCHYWBGIB-UHFFFAOYSA-N -1 0 335.363 3.563 20 0 EHADRM Cc1ccc2cccc(NC(=O)N[C@H](CC(=O)[O-])c3ccccc3)c2n1 ZINC000738297006 600456479 /nfs/dbraw/zinc/45/64/79/600456479.db2.gz DJCYNLUFGWIZOK-QGZVFWFLSA-N -1 0 349.390 3.881 20 0 EHADRM O=C([O-])[C@H](OC(=O)C[C@@H]1CCc2ccccc21)c1ccc(F)cc1 ZINC000739220594 600456774 /nfs/dbraw/zinc/45/67/74/600456774.db2.gz APKWZGBCQKQUAF-KBXCAEBGSA-N -1 0 328.339 3.615 20 0 EHADRM CN(CCC1CCCCC1)C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000737415233 600462221 /nfs/dbraw/zinc/46/22/21/600462221.db2.gz HJNHYWNVQDQDFX-UHFFFAOYSA-N -1 0 347.459 3.931 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)N[C@@H]2CSc3ccccc32)c1 ZINC000740043229 600463854 /nfs/dbraw/zinc/46/38/54/600463854.db2.gz RCAXIKKTAQTHAS-CYBMUJFWSA-N -1 0 329.381 3.745 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)Nc1nc(CC(=O)[O-])cs1)C(C)C ZINC000738322846 600465946 /nfs/dbraw/zinc/46/59/46/600465946.db2.gz XFJAAVZWJSPRFU-OAHLLOKOSA-N -1 0 347.440 3.597 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2nc(Cl)ccc2Cl)cc1Cl ZINC000236486765 600476994 /nfs/dbraw/zinc/47/69/94/600476994.db2.gz ZFCIKQRZLZVBOA-UHFFFAOYSA-N -1 0 345.569 3.992 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000178067354 600477767 /nfs/dbraw/zinc/47/77/67/600477767.db2.gz YXQVKCKDBIQJPD-UHFFFAOYSA-N -1 0 349.333 3.692 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)CC(c2ccccc2)c2ccccc2)o1 ZINC000347410532 600478788 /nfs/dbraw/zinc/47/87/88/600478788.db2.gz IRIUAWHUFBYJDY-UHFFFAOYSA-N -1 0 349.386 3.816 20 0 EHADRM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000237548065 600479118 /nfs/dbraw/zinc/47/91/18/600479118.db2.gz PMEJJMWTRVXGRD-HZMBPMFUSA-N -1 0 325.792 3.572 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cc2c[nH]c3ccc(F)cc23)cc1Cl ZINC000238170298 600479216 /nfs/dbraw/zinc/47/92/16/600479216.db2.gz ZUOKGTRABDJBRY-UHFFFAOYSA-N -1 0 346.745 3.840 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000320520564 600479366 /nfs/dbraw/zinc/47/93/66/600479366.db2.gz OIDUGRXFKQZOGL-UHFFFAOYSA-N -1 0 336.285 3.611 20 0 EHADRM CC[C@H](C)[C@H]1CCCCN1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000736880367 600479832 /nfs/dbraw/zinc/47/98/32/600479832.db2.gz OYGHSURONSUOPZ-WMLDXEAASA-N -1 0 348.443 3.973 20 0 EHADRM C[C@]12CC3CC(C(=O)NCc4ccc(C(=O)[O-])o4)(C1)C[C@@](C)(C3)C2 ZINC000261625022 600480446 /nfs/dbraw/zinc/48/04/46/600480446.db2.gz GQRXHEFIPBIZFU-CMXJYWLISA-N -1 0 331.412 3.591 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000262977964 600486111 /nfs/dbraw/zinc/48/61/11/600486111.db2.gz KNVQXLHVJJGZIV-MWLCHTKSSA-N -1 0 345.226 3.561 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc3c(cccc3F)[nH]2)cc1Cl ZINC000238187608 600487256 /nfs/dbraw/zinc/48/72/56/600487256.db2.gz KWMBIVDEDKTCFZ-UHFFFAOYSA-N -1 0 332.718 3.911 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)NCc1ccccc1OC1CCC1 ZINC000740045297 600487642 /nfs/dbraw/zinc/48/76/42/600487642.db2.gz GSJVRJLVLNOOPD-UHFFFAOYSA-N -1 0 340.379 3.638 20 0 EHADRM O=C([O-])c1ccc(COc2ccc(Br)c(F)c2)cc1 ZINC000087429810 600498849 /nfs/dbraw/zinc/49/88/49/600498849.db2.gz PDSARBLBGUYCGY-UHFFFAOYSA-N -1 0 325.133 3.865 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000738533660 600502390 /nfs/dbraw/zinc/50/23/90/600502390.db2.gz QQTAHXFYGFBFCE-HOCLYGCPSA-N -1 0 348.443 3.656 20 0 EHADRM Cc1cccc(NC(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c1 ZINC000738736408 600504416 /nfs/dbraw/zinc/50/44/16/600504416.db2.gz XQJGCTJTZZINMF-UHFFFAOYSA-N -1 0 328.368 3.883 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)Cc1cc(-c2ccccc2)on1 ZINC000120211813 600526354 /nfs/dbraw/zinc/52/63/54/600526354.db2.gz WFSVODIUZVXGQA-UHFFFAOYSA-N -1 0 336.347 3.529 20 0 EHADRM CCN(C(=O)c1cc(-c2ccccc2)on1)c1ccccc1C(=O)[O-] ZINC000737058146 600532178 /nfs/dbraw/zinc/53/21/78/600532178.db2.gz MPTLYHLAFUPRHT-UHFFFAOYSA-N -1 0 336.347 3.707 20 0 EHADRM CCOc1ccccc1CCC(=O)N(CC)c1ccccc1C(=O)[O-] ZINC000737211989 600532380 /nfs/dbraw/zinc/53/23/80/600532380.db2.gz WKDMNVULAHKYCH-UHFFFAOYSA-N -1 0 341.407 3.769 20 0 EHADRM CCN(C(=O)c1sc(C(C)C)nc1C)c1ccccc1C(=O)[O-] ZINC000737062245 600532603 /nfs/dbraw/zinc/53/26/03/600532603.db2.gz NRTVGADTCJJEGH-UHFFFAOYSA-N -1 0 332.425 3.940 20 0 EHADRM CC(C)Cc1ccc([C@@H](C)NC(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000736453631 600534072 /nfs/dbraw/zinc/53/40/72/600534072.db2.gz MCCOAGBPFKEKMA-CYBMUJFWSA-N -1 0 344.411 3.737 20 0 EHADRM CC(C)(CCCc1ccccc1)C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000236588464 600534268 /nfs/dbraw/zinc/53/42/68/600534268.db2.gz YNNNKKWUDBHHMX-UHFFFAOYSA-N -1 0 346.452 3.758 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)CN(C)C(=O)[O-])C1CCC(C)CC1 ZINC000738758345 600535566 /nfs/dbraw/zinc/53/55/66/600535566.db2.gz MMRHGDXUSTUKED-RWKZGTHUSA-N -1 0 332.444 3.588 20 0 EHADRM CCCCc1ccc(C(=O)Nc2nnc(CCCC(=O)[O-])s2)cc1 ZINC000737000874 600535999 /nfs/dbraw/zinc/53/59/99/600535999.db2.gz GDYZUBVKEZVSMN-UHFFFAOYSA-N -1 0 347.440 3.540 20 0 EHADRM C[C@H]1CCC[C@@H](OCC(=O)Oc2cc(Cl)ccc2C(=O)[O-])C1 ZINC000736782769 600549771 /nfs/dbraw/zinc/54/97/71/600549771.db2.gz WKZWMIFUMCLPPQ-CMPLNLGQSA-N -1 0 326.776 3.539 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000236752827 600560016 /nfs/dbraw/zinc/56/00/16/600560016.db2.gz UKWARILPYJWMMO-ROUUACIJSA-N -1 0 325.408 3.655 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)[C@H](C)Sc1ccc(Cl)cc1 ZINC000037585159 600563536 /nfs/dbraw/zinc/56/35/36/600563536.db2.gz VNSILDWKXWZRQQ-NSHDSACASA-N -1 0 329.849 3.532 20 0 EHADRM Cc1[nH]c2ccc(CNC(=O)c3ccccc3NC(=O)[O-])cc2c1C ZINC000738247163 600574577 /nfs/dbraw/zinc/57/45/77/600574577.db2.gz VQQXGBQNZZLOBE-UHFFFAOYSA-N -1 0 337.379 3.805 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000191600137 600579808 /nfs/dbraw/zinc/57/98/08/600579808.db2.gz HUDIPJQUPMEHGU-DNVCBOLYSA-N -1 0 337.419 3.722 20 0 EHADRM C[C@H](CC(=O)[O-])SCC(=O)Nc1ccccc1SC(F)F ZINC000736552831 600583655 /nfs/dbraw/zinc/58/36/55/600583655.db2.gz RTEDOBZBNXUBLZ-MRVPVSSYSA-N -1 0 335.397 3.536 20 0 EHADRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)c1cc2occc2s1 ZINC000739794125 600585248 /nfs/dbraw/zinc/58/52/48/600585248.db2.gz SYIWIWNGJNEZCD-UHFFFAOYSA-N -1 0 349.795 3.875 20 0 EHADRM CN(C(=O)CCCc1ccc(Cl)cc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737317736 600589775 /nfs/dbraw/zinc/58/97/75/600589775.db2.gz KLNVABGJJQYNFN-GOSISDBHSA-N -1 0 345.826 3.947 20 0 EHADRM C[C@H](CC(=O)[O-])SCC(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000736552408 600590008 /nfs/dbraw/zinc/59/00/08/600590008.db2.gz MVPVMSHHADQDFA-ACJLOTCBSA-N -1 0 335.469 3.631 20 0 EHADRM CCCCc1ccc(C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000737001089 600590295 /nfs/dbraw/zinc/59/02/95/600590295.db2.gz LBZMXQMKSHKIBV-GOSISDBHSA-N -1 0 325.408 3.927 20 0 EHADRM CN(C(=O)c1cc2sccc2s1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737336000 600591546 /nfs/dbraw/zinc/59/15/46/600591546.db2.gz GNCOCCFVZJULMS-AWEZNQCLSA-N -1 0 331.418 3.861 20 0 EHADRM Cc1ccc(-c2noc(CCCS[C@H](C)CC(=O)[O-])n2)cc1F ZINC000738250043 600592303 /nfs/dbraw/zinc/59/23/03/600592303.db2.gz DJJUMESLKLLWPY-LLVKDONJSA-N -1 0 338.404 3.713 20 0 EHADRM C[C@@H](CSCC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000736613022 600595751 /nfs/dbraw/zinc/59/57/51/600595751.db2.gz GYLSWCREHVXJOR-ZDUSSCGKSA-N -1 0 345.420 3.871 20 0 EHADRM CC(C)[C@H](SC[C@H](C)C(=O)[O-])C(=O)Nc1ccccc1Cl ZINC000736606345 600597821 /nfs/dbraw/zinc/59/78/21/600597821.db2.gz AESRESYRBOUXRT-GWCFXTLKSA-N -1 0 329.849 3.757 20 0 EHADRM Cc1ccccc1C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000486366389 600599265 /nfs/dbraw/zinc/59/92/65/600599265.db2.gz BWPKQARIWKUQOD-GOSISDBHSA-N -1 0 347.414 3.822 20 0 EHADRM O=C(/C=C\c1ccco1)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000739214103 600599962 /nfs/dbraw/zinc/59/99/62/600599962.db2.gz CINDBKXTWNPDOQ-MQNTZWLQSA-N -1 0 349.386 3.506 20 0 EHADRM CC[C@@H](CC(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000736891865 600600692 /nfs/dbraw/zinc/60/06/92/600600692.db2.gz HITHEPMXQMTSAW-HNAYVOBHSA-N -1 0 325.408 3.855 20 0 EHADRM C[C@H](CC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1)c1ccccc1F ZINC000736544743 600601336 /nfs/dbraw/zinc/60/13/36/600601336.db2.gz KVNRLFZVXOBZTC-ACJLOTCBSA-N -1 0 329.371 3.604 20 0 EHADRM Cc1cccc(C(=O)NC[C@H](Cc2cccc3ccccc32)C(=O)[O-])c1 ZINC000486403355 600602687 /nfs/dbraw/zinc/60/26/87/600602687.db2.gz ZGRNVJPCHZDYCM-IBGZPJMESA-N -1 0 347.414 3.822 20 0 EHADRM O=C(/C=C/c1ccco1)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000739216212 600605387 /nfs/dbraw/zinc/60/53/87/600605387.db2.gz PGFPLUAFCLUDRQ-BBVFFXRHSA-N -1 0 349.386 3.506 20 0 EHADRM CCC[C@@H](C)C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000236845541 600607569 /nfs/dbraw/zinc/60/75/69/600607569.db2.gz ZWZASIUVLSXQRK-RDTXWAMCSA-N -1 0 327.424 3.636 20 0 EHADRM C[C@](NC(=O)c1sc2cc(F)ccc2c1Cl)(C(=O)[O-])C1CC1 ZINC000386261483 600614302 /nfs/dbraw/zinc/61/43/02/600614302.db2.gz YPANXTLGMLMUNU-OAHLLOKOSA-N -1 0 341.791 3.677 20 0 EHADRM CCc1c(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)[nH]c(C)c1C(C)=O ZINC000178254622 600618589 /nfs/dbraw/zinc/61/85/89/600618589.db2.gz FESYXAZLYMZOCX-UHFFFAOYSA-N -1 0 348.786 3.692 20 0 EHADRM CC(C)[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccccc1Cl ZINC000236735621 600620174 /nfs/dbraw/zinc/62/01/74/600620174.db2.gz LISSDHNDLOIQQB-HNNXBMFYSA-N -1 0 332.787 3.560 20 0 EHADRM COc1ccc(/C=C/C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000322350936 600620928 /nfs/dbraw/zinc/62/09/28/600620928.db2.gz FHKQCSRHFNFCFW-QPJJXVBHSA-N -1 0 331.755 3.699 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2cccc(OC(F)F)c2)c1 ZINC000322686401 600620945 /nfs/dbraw/zinc/62/09/45/600620945.db2.gz IGDDESAGMRWZGN-UHFFFAOYSA-N -1 0 341.697 3.892 20 0 EHADRM CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)CCSCC(=O)[O-] ZINC000736392965 600622955 /nfs/dbraw/zinc/62/29/55/600622955.db2.gz XOYOTQZBWQPDSX-MRXNPFEDSA-N -1 0 343.876 3.703 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)NCC2(c3cccc(F)c3)CC2)c1 ZINC000739407585 600624095 /nfs/dbraw/zinc/62/40/95/600624095.db2.gz OKOZOWGRLNDBMA-UHFFFAOYSA-N -1 0 346.333 3.516 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)[C@H]2CCOc3ccccc32)c1 ZINC000178254881 600624209 /nfs/dbraw/zinc/62/42/09/600624209.db2.gz DOXJMUDOZJXDGK-AWEZNQCLSA-N -1 0 331.755 3.543 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCc3c(Cl)cccc3C2)c(F)c1 ZINC000740150616 600627492 /nfs/dbraw/zinc/62/74/92/600627492.db2.gz ZKKFCIXXKZERLG-UHFFFAOYSA-N -1 0 348.761 3.768 20 0 EHADRM CC(C)c1cnc(CN(CCC(=O)[O-])Cc2ccc(F)c(F)c2)o1 ZINC000736523515 600640041 /nfs/dbraw/zinc/64/00/41/600640041.db2.gz UBDFNDVHFDBTLL-UHFFFAOYSA-N -1 0 338.354 3.553 20 0 EHADRM CCN(C(=O)Nc1cc(C(=O)[O-])ccc1C)[C@@H](C)c1cccnc1 ZINC000737059850 600641582 /nfs/dbraw/zinc/64/15/82/600641582.db2.gz ITXZBTIMSVGWGY-ZDUSSCGKSA-N -1 0 327.384 3.703 20 0 EHADRM C[C@H]1CCC[C@@H](CCNC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000391575494 600647627 /nfs/dbraw/zinc/64/76/27/600647627.db2.gz PGXMDLWWZLPZKR-GJZGRUSLSA-N -1 0 332.444 3.743 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccc3oc(C4CC4)nc3c2)C1 ZINC000179964720 600655112 /nfs/dbraw/zinc/65/51/12/600655112.db2.gz INYXRBAEOJYRRH-VXGBXAGGSA-N -1 0 328.368 3.535 20 0 EHADRM C[C@]1(C(=O)O[C@@H](C(=O)[O-])c2ccccc2F)CCCc2ccccc21 ZINC000828035654 600655396 /nfs/dbraw/zinc/65/53/96/600655396.db2.gz VPSLHGMOPSEOIQ-XLIONFOSSA-N -1 0 342.366 3.789 20 0 EHADRM Cc1ccc2c(CC(=O)O[C@@H](C(=O)[O-])c3ccccc3F)c[nH]c2c1 ZINC000832959048 600655853 /nfs/dbraw/zinc/65/58/53/600655853.db2.gz BQWHXYBKGLAGOK-GOSISDBHSA-N -1 0 341.338 3.527 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccccc1OCC1CC1)c1ccccc1F ZINC000833351228 600656231 /nfs/dbraw/zinc/65/62/31/600656231.db2.gz JUKFEGGWMDPYRI-QGZVFWFLSA-N -1 0 344.338 3.597 20 0 EHADRM Cc1cccc2[nH]cc(CC(=O)O[C@H](C(=O)[O-])c3ccccc3F)c21 ZINC000832976512 600660769 /nfs/dbraw/zinc/66/07/69/600660769.db2.gz ZTZDTNYGXJPZEP-SFHVURJKSA-N -1 0 341.338 3.527 20 0 EHADRM CC/C(=C/C(=O)O[C@@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000828550786 600661534 /nfs/dbraw/zinc/66/15/34/600661534.db2.gz YGFMFADEACMZON-MENFKHAKSA-N -1 0 328.339 3.988 20 0 EHADRM Cc1ccc(-c2ccncc2)cc1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000738487566 600665409 /nfs/dbraw/zinc/66/54/09/600665409.db2.gz AQBYKUUHYKQCCL-IRXDYDNUSA-N -1 0 338.407 3.887 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1csc(-c2ccoc2)n1)c1ccccc1F ZINC000833350229 600665934 /nfs/dbraw/zinc/66/59/34/600665934.db2.gz BWFHMBGEUPFPCG-ZDUSSCGKSA-N -1 0 347.323 3.525 20 0 EHADRM Cc1cc2cc(C(=O)N(C)[C@@H](C(=O)[O-])c3ccccc3)oc2cc1C ZINC000738480199 600672919 /nfs/dbraw/zinc/67/29/19/600672919.db2.gz ZCQXYLXBUPFJHX-GOSISDBHSA-N -1 0 337.375 3.948 20 0 EHADRM CCN(C(=O)c1cc2ccccc2nc1C)c1ccccc1C(=O)[O-] ZINC000737058703 600673345 /nfs/dbraw/zinc/67/33/45/600673345.db2.gz RAIRPENUUYPEIH-UHFFFAOYSA-N -1 0 334.375 3.908 20 0 EHADRM CC(C)c1ccc(NCc2nc(CC(F)(F)F)no2)c(C(=O)[O-])c1 ZINC000736516104 600676459 /nfs/dbraw/zinc/67/64/59/600676459.db2.gz ZXSCEWHQQWLXLA-UHFFFAOYSA-N -1 0 343.305 3.608 20 0 EHADRM C[C@@H](CC(=O)O[C@H](C(=O)[O-])c1ccccc1F)c1cccc(F)c1 ZINC000827392106 600677165 /nfs/dbraw/zinc/67/71/65/600677165.db2.gz SHDNNYOUVYRBGZ-GTNSWQLSSA-N -1 0 334.318 3.828 20 0 EHADRM Cc1ccc(-c2nc(C(=O)Oc3ccccc3CC(=O)[O-])cs2)o1 ZINC000738493016 600677222 /nfs/dbraw/zinc/67/72/22/600677222.db2.gz KZOLUVRSOCBTHI-UHFFFAOYSA-N -1 0 343.360 3.558 20 0 EHADRM CCN1CCCC[C@@H]1C(=O)OCc1c2ccccc2sc1C(=O)[O-] ZINC000829770213 600681072 /nfs/dbraw/zinc/68/10/72/600681072.db2.gz GBTJGCPIBYRHEM-CQSZACIVSA-N -1 0 347.436 3.517 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)C3CC=CC3)ccc2n1C1CC1 ZINC000738276465 600688174 /nfs/dbraw/zinc/68/81/74/600688174.db2.gz VSJMPHNGTXJRDQ-UHFFFAOYSA-N -1 0 325.364 3.854 20 0 EHADRM CN(CC(=O)Oc1cccc(-c2nc(C(C)(C)C)cs2)c1)C(=O)[O-] ZINC000737406110 600690684 /nfs/dbraw/zinc/69/06/84/600690684.db2.gz KVHZYVUUTZHETI-UHFFFAOYSA-N -1 0 348.424 3.623 20 0 EHADRM Cc1c(-c2nc(-c3cccc(C(=O)[O-])c3)no2)cnn1-c1ccccc1 ZINC000832848920 600700034 /nfs/dbraw/zinc/70/00/34/600700034.db2.gz OUCWSRNWYMDZPF-UHFFFAOYSA-N -1 0 346.346 3.596 20 0 EHADRM Cc1ccc(OCCc2nc(-c3cccc(C(=O)[O-])c3)no2)c(C)c1 ZINC000832950893 600700463 /nfs/dbraw/zinc/70/04/63/600700463.db2.gz CHLPPPOLUIYBHX-UHFFFAOYSA-N -1 0 338.363 3.673 20 0 EHADRM O=C([O-])c1cccc(-c2noc([C@@H]3SCCc4ccccc43)n2)c1 ZINC000833327779 600700592 /nfs/dbraw/zinc/70/05/92/600700592.db2.gz FYFYZYWBRRVDIC-OAHLLOKOSA-N -1 0 338.388 3.814 20 0 EHADRM O=C([O-])c1cccc(-c2noc(CSc3ccc(F)cc3)n2)c1 ZINC000833327923 600700980 /nfs/dbraw/zinc/70/09/80/600700980.db2.gz MHBPMSSOTHFSLM-UHFFFAOYSA-N -1 0 330.340 3.866 20 0 EHADRM O=C([O-])COC(=O)C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000833252926 600701784 /nfs/dbraw/zinc/70/17/84/600701784.db2.gz RGSBRYRVFRSAPK-UHFFFAOYSA-N -1 0 330.302 3.535 20 0 EHADRM Cc1ccc(-c2ocnc2C(=O)OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000832910138 600705522 /nfs/dbraw/zinc/70/55/22/600705522.db2.gz PJONCAHYNCKVST-UHFFFAOYSA-N -1 0 337.331 3.705 20 0 EHADRM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000236642378 600707419 /nfs/dbraw/zinc/70/74/19/600707419.db2.gz FCFQIEFIMRDLBX-FHERZECASA-N -1 0 346.471 3.825 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)[C@H]1C[C@@]12CCc1ccccc12)c1ccccc1 ZINC000192861954 600707442 /nfs/dbraw/zinc/70/74/42/600707442.db2.gz HQEMEDHDXMENOC-XQBPLPMBSA-N -1 0 349.430 3.613 20 0 EHADRM O=C([O-])[C@@H](OC(=O)[C@H]1CCSc2ccccc21)c1ccccc1 ZINC000833350942 600710694 /nfs/dbraw/zinc/71/06/94/600710694.db2.gz MSCKJIHEGDOLKY-HOCLYGCPSA-N -1 0 328.389 3.635 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@@H]1CCSc2ccccc21)c1ccccc1 ZINC000833350932 600710902 /nfs/dbraw/zinc/71/09/02/600710902.db2.gz MSCKJIHEGDOLKY-GDBMZVCRSA-N -1 0 328.389 3.635 20 0 EHADRM C[C@@H](OC(=O)[C@@H]1SCCc2ccccc21)c1ccc(C(=O)[O-])o1 ZINC000827825935 600712506 /nfs/dbraw/zinc/71/25/06/600712506.db2.gz JMVMRGOYGXRRAX-MEBBXXQBSA-N -1 0 332.377 3.613 20 0 EHADRM O=C([O-])[C@@H](OC(=O)[C@H]1SCCc2ccccc21)c1ccc(F)cc1 ZINC000833170793 600713065 /nfs/dbraw/zinc/71/30/65/600713065.db2.gz SDUQCNQIAIYAMX-HOTGVXAUSA-N -1 0 346.379 3.525 20 0 EHADRM O=C([O-])c1coc(COC(=O)C2CCC(c3ccccc3)CC2)c1 ZINC000833340614 600715060 /nfs/dbraw/zinc/71/50/60/600715060.db2.gz JOPAJSYZKVQMEQ-UHFFFAOYSA-N -1 0 328.364 3.995 20 0 EHADRM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC000659767948 600721082 /nfs/dbraw/zinc/72/10/82/600721082.db2.gz RDDKYXMVUFBYLR-ZDUSSCGKSA-N -1 0 341.411 3.797 20 0 EHADRM C[C@@H](OC(=O)c1ccc(NC(=O)[O-])c(O)c1)c1cc(F)ccc1F ZINC000827862154 600732071 /nfs/dbraw/zinc/73/20/71/600732071.db2.gz WAZOSWHPEQWHOF-MRVPVSSYSA-N -1 0 337.278 3.678 20 0 EHADRM CC(=O)Nc1ccc(N[C@@H](C(=O)[O-])c2ccccc2F)cc1Cl ZINC000825902898 600735376 /nfs/dbraw/zinc/73/53/76/600735376.db2.gz IPEJZVWEJDSEQU-OAHLLOKOSA-N -1 0 336.750 3.675 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)/C=C\c1cnc(C(C)(C)C)s1 ZINC000833025815 600736363 /nfs/dbraw/zinc/73/63/63/600736363.db2.gz RLKHDGXNHCHHQY-WAYWQWQTSA-N -1 0 349.408 3.797 20 0 EHADRM C[C@H](CCOc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000827421895 600742154 /nfs/dbraw/zinc/74/21/54/600742154.db2.gz DEHVOJOUCUUSQF-CXAGYDPISA-N -1 0 346.354 3.600 20 0 EHADRM O=C([O-])c1cccc(NC(=O)Nc2ccccc2OCC2CC2)c1 ZINC000739479743 600743700 /nfs/dbraw/zinc/74/37/00/600743700.db2.gz KXFILOJUWIEVJZ-UHFFFAOYSA-N -1 0 326.352 3.818 20 0 EHADRM CC(C)C[C@H](NC(=O)N1CC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000263226107 600752342 /nfs/dbraw/zinc/75/23/42/600752342.db2.gz LTCPIMKOABAPKD-ZFWWWQNUSA-N -1 0 338.835 3.543 20 0 EHADRM CCc1nc(C)c([C@H](C)OC(=O)CCc2ccc(C(=O)[O-])cc2)s1 ZINC000737281031 600757376 /nfs/dbraw/zinc/75/73/76/600757376.db2.gz FFIOWEHGFNTYLM-LBPRGKRZSA-N -1 0 347.436 3.949 20 0 EHADRM CSc1ccc(F)cc1CNC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000832781554 600763047 /nfs/dbraw/zinc/76/30/47/600763047.db2.gz WYOSQAUCJREZBJ-UHFFFAOYSA-N -1 0 348.399 3.876 20 0 EHADRM Cc1ccc(S(=O)(=O)Oc2ccc(C(C)C)cc2)cc1C(=O)[O-] ZINC000013072536 600765638 /nfs/dbraw/zinc/76/56/38/600765638.db2.gz SBNUDBYIRKVLBH-UHFFFAOYSA-N -1 0 334.393 3.584 20 0 EHADRM Cc1nc(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])c2ccccn12 ZINC000738841709 600770014 /nfs/dbraw/zinc/77/00/14/600770014.db2.gz BEKMHQOUUJIIPU-UHFFFAOYSA-N -1 0 345.358 3.746 20 0 EHADRM Cc1ccc(NC(=O)CCCNC(=O)[O-])cc1OCC1CCCCC1 ZINC000738613867 600784583 /nfs/dbraw/zinc/78/45/83/600784583.db2.gz BEXPWTNZTQXXBU-UHFFFAOYSA-N -1 0 348.443 3.940 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)c(F)c1 ZINC000833319084 600787088 /nfs/dbraw/zinc/78/70/88/600787088.db2.gz RFFJWJMACVPWCN-FOIQADDNSA-N -1 0 339.366 3.757 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccccc1Cl)c1cccc(Cl)c1 ZINC000776677110 600803059 /nfs/dbraw/zinc/80/30/59/600803059.db2.gz KLZWAZPBGOAGSM-CQSZACIVSA-N -1 0 338.190 3.939 20 0 EHADRM Cc1ccc(NC(=O)Nc2ccc(OCCCC(=O)[O-])cc2)s1 ZINC000832948299 600810324 /nfs/dbraw/zinc/81/03/24/600810324.db2.gz DLJNKIKKYPLIPK-UHFFFAOYSA-N -1 0 334.397 3.944 20 0 EHADRM CC(C)C[C@@H](CNc1nc(C(F)(F)F)nc2ccccc21)C(=O)[O-] ZINC000826786447 600817055 /nfs/dbraw/zinc/81/70/55/600817055.db2.gz NKQOZEPLPFIRJQ-JTQLQIEISA-N -1 0 341.333 3.807 20 0 EHADRM O=C([O-])c1cccn2cc(CSc3c(F)cc(F)cc3F)nc12 ZINC000740240278 600818899 /nfs/dbraw/zinc/81/88/99/600818899.db2.gz HADKIBNKSAXPID-UHFFFAOYSA-N -1 0 338.310 3.742 20 0 EHADRM Cc1c(NC(=S)N[C@@H]2CCOc3ccccc32)cccc1C(=O)[O-] ZINC000738306522 600819434 /nfs/dbraw/zinc/81/94/34/600819434.db2.gz QPDLEPDAOHHMQV-OAHLLOKOSA-N -1 0 342.420 3.503 20 0 EHADRM COc1cccc(F)c1[C@@H](C)Nc1nc(Cl)c(C(=O)[O-])s1 ZINC000832558243 600820587 /nfs/dbraw/zinc/82/05/87/600820587.db2.gz HIDYZRVJHQZJIM-ZCFIWIBFSA-N -1 0 330.768 3.816 20 0 EHADRM C[C@H](CNc1nc(Cl)c(C(=O)[O-])s1)Oc1ccccc1F ZINC000827512807 600821042 /nfs/dbraw/zinc/82/10/42/600821042.db2.gz SUEUWDFFTIAGTJ-SSDOTTSWSA-N -1 0 330.768 3.513 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N(C)CCc3cccs3)c12 ZINC000833001605 600824854 /nfs/dbraw/zinc/82/48/54/600824854.db2.gz LMVMFPFGUQBKDB-UHFFFAOYSA-N -1 0 347.465 3.747 20 0 EHADRM C[C@H]1CCC[C@@H](C(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)C1 ZINC000736774479 600827687 /nfs/dbraw/zinc/82/76/87/600827687.db2.gz ILRZBMQBOSOTDE-VHSXEESVSA-N -1 0 333.413 3.601 20 0 EHADRM CCCC[C@H](SCc1nc(=O)c2c(C)c(C)sc2[nH]1)C(=O)[O-] ZINC000829295625 600832350 /nfs/dbraw/zinc/83/23/50/600832350.db2.gz IPOPWAPGKCGFAK-JTQLQIEISA-N -1 0 340.470 3.890 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000738542478 600833019 /nfs/dbraw/zinc/83/30/19/600833019.db2.gz ZIHMVUDQHBAPAW-QWHCGFSZSA-N -1 0 332.302 3.681 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000740078858 600833327 /nfs/dbraw/zinc/83/33/27/600833327.db2.gz UPHBSJINOXFKFA-MNOVXSKESA-N -1 0 335.281 3.544 20 0 EHADRM CCc1ccc(CC(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)cc1 ZINC000237159423 600835001 /nfs/dbraw/zinc/83/50/01/600835001.db2.gz IFSAGRFFTQOOSI-UHFFFAOYSA-N -1 0 341.407 3.916 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N1CCN(Cc2ccc(C(=O)[O-])o2)CC1 ZINC000827935391 600838076 /nfs/dbraw/zinc/83/80/76/600838076.db2.gz QCNWLGBEVMPKJP-CYBMUJFWSA-N -1 0 348.830 3.510 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2c(F)cc(F)cc2F)ccc1F ZINC000740008556 600838339 /nfs/dbraw/zinc/83/83/39/600838339.db2.gz QIAXMSRKJASKPO-UHFFFAOYSA-N -1 0 328.221 3.585 20 0 EHADRM CCc1ccc(CC(=O)N[C@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000139447598 600839562 /nfs/dbraw/zinc/83/95/62/600839562.db2.gz YJUNCHCJIFWDBP-GOSISDBHSA-N -1 0 325.408 3.514 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NC(c2cccs2)c2cccs2)C1 ZINC000180017129 600839823 /nfs/dbraw/zinc/83/98/23/600839823.db2.gz NGMRANOMHXZKKI-NEPJUHHUSA-N -1 0 349.477 3.906 20 0 EHADRM CN(Cc1ccc(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)cc1)C(=O)[O-] ZINC000737478632 600844026 /nfs/dbraw/zinc/84/40/26/600844026.db2.gz OAGVRBMIOOOGKM-DLBZAZTESA-N -1 0 330.428 3.951 20 0 EHADRM Cc1cccc(NC(=O)NC[C@H](C(=O)[O-])c2ccccc2)c1Cl ZINC000323715634 600846339 /nfs/dbraw/zinc/84/63/39/600846339.db2.gz WKFQXNFNHOUKER-ZDUSSCGKSA-N -1 0 332.787 3.638 20 0 EHADRM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000262166877 600846517 /nfs/dbraw/zinc/84/65/17/600846517.db2.gz UJAQGIFOGMBFNN-ROUUACIJSA-N -1 0 339.391 3.800 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)/C=C/c2ccc(Cl)cc2)c2ccccc21 ZINC000325332676 600847438 /nfs/dbraw/zinc/84/74/38/600847438.db2.gz ZZZGOEKWHQUBAQ-RNVIBTMRSA-N -1 0 341.794 3.958 20 0 EHADRM C[C@H](CC(=O)N1C[C@H](CC(=O)[O-])c2ccccc21)c1cccc(F)c1 ZINC000736545954 600847894 /nfs/dbraw/zinc/84/78/94/600847894.db2.gz UCVYDQFCZBFJRY-HIFRSBDPSA-N -1 0 341.382 3.924 20 0 EHADRM C[C@]1(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)CCCc2ccccc21 ZINC000736728845 600849348 /nfs/dbraw/zinc/84/93/48/600849348.db2.gz SNXMEYJUIPYENQ-AOMKIAJQSA-N -1 0 349.430 3.886 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)c2ccc3ncsc3c2)c2ccccc21 ZINC000325294726 600850066 /nfs/dbraw/zinc/85/00/66/600850066.db2.gz NVUQOQPCAXUPSU-GFCCVEGCSA-N -1 0 338.388 3.515 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2SCCc3sccc32)ccc1F ZINC000767096277 600851683 /nfs/dbraw/zinc/85/16/83/600851683.db2.gz QOARWMAPKUQILP-ZDUSSCGKSA-N -1 0 337.397 3.555 20 0 EHADRM Cc1cc2ccccc2n1CC(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000738478152 600852058 /nfs/dbraw/zinc/85/20/58/600852058.db2.gz BRJMMKRNRQTLKU-INIZCTEOSA-N -1 0 348.402 3.555 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(OC2CCC2)cc1)c1cccs1 ZINC000833200494 600854120 /nfs/dbraw/zinc/85/41/20/600854120.db2.gz PXGZRBDRZFJLRL-OAHLLOKOSA-N -1 0 345.420 3.625 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N[C@H](C(=O)[O-])[C@H](C)CC)o2)cc1 ZINC000830229226 600857254 /nfs/dbraw/zinc/85/72/54/600857254.db2.gz NCUOELNEPHUGLS-PXAZEXFGSA-N -1 0 329.396 3.738 20 0 EHADRM Cc1cc2cc(C(=O)Nc3cccc(OCC(=O)[O-])c3)oc2cc1C ZINC000237908347 600859929 /nfs/dbraw/zinc/85/99/29/600859929.db2.gz FZVBHEUZFWIBQV-UHFFFAOYSA-N -1 0 339.347 3.765 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)c2coc(-c3ccccc3)n2)c2ccccc21 ZINC000739653103 600862894 /nfs/dbraw/zinc/86/28/94/600862894.db2.gz GWAXZLHMKSDZIH-CQSZACIVSA-N -1 0 348.358 3.560 20 0 EHADRM C[C@H](CC(=O)c1ccccc1F)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000827398212 600863053 /nfs/dbraw/zinc/86/30/53/600863053.db2.gz TXHGPSDOHCICQK-LLVKDONJSA-N -1 0 344.342 3.763 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000245983145 600873660 /nfs/dbraw/zinc/87/36/60/600873660.db2.gz PRMFTVAMEPXBJV-FMKPAKJESA-N -1 0 335.831 3.798 20 0 EHADRM CCO[C@@H](C)c1ncc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)s1 ZINC000829907990 600878320 /nfs/dbraw/zinc/87/83/20/600878320.db2.gz OZQJWFMMXFNNHC-NSHDSACASA-N -1 0 348.424 3.510 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000325231319 600882306 /nfs/dbraw/zinc/88/23/06/600882306.db2.gz UNXGPUXBEKLKRE-UHFFFAOYSA-N -1 0 337.297 3.718 20 0 EHADRM C/C(=C/C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)C(C)(C)C ZINC000825724285 600882706 /nfs/dbraw/zinc/88/27/06/600882706.db2.gz LWXKIPOAYJLZEY-CLFYSBASSA-N -1 0 327.327 3.917 20 0 EHADRM C/C(=C/C(=O)N(CCC(=O)[O-])C(C)C)c1cccc(C(F)(F)F)c1 ZINC000236754386 600884221 /nfs/dbraw/zinc/88/42/21/600884221.db2.gz HIIQOWBBKPJQDI-XFXZXTDPSA-N -1 0 343.345 3.820 20 0 EHADRM Cc1cccc(F)c1CNC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000832970256 600898180 /nfs/dbraw/zinc/89/81/80/600898180.db2.gz VOBUDTQEJKPZSV-LBPRGKRZSA-N -1 0 347.411 3.629 20 0 EHADRM O=C([O-])CNC(=O)c1ccc(F)cc1-c1ccc(Cl)c(Cl)c1 ZINC000238195653 600899993 /nfs/dbraw/zinc/89/99/93/600899993.db2.gz ISSSCMRJSGHZQF-UHFFFAOYSA-N -1 0 342.153 3.614 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)C[C@H](C)c1ccccc1C(F)(F)F ZINC000236914649 600902797 /nfs/dbraw/zinc/90/27/97/600902797.db2.gz QOMYKBQZBHTKKO-NSHDSACASA-N -1 0 331.334 3.522 20 0 EHADRM CCN(C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)c1ccccc1C(=O)[O-] ZINC000737053324 600907559 /nfs/dbraw/zinc/90/75/59/600907559.db2.gz RFZIMSNWXIVEER-KGLIPLIRSA-N -1 0 345.345 3.820 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1ccccc1Oc1ccccc1)C(=O)[O-] ZINC000736409472 600917435 /nfs/dbraw/zinc/91/74/35/600917435.db2.gz KBXYNZBQGVSDLR-OAHLLOKOSA-N -1 0 341.407 3.956 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2cnccc2Oc2ccccc2)C1 ZINC000833187478 600918667 /nfs/dbraw/zinc/91/86/67/600918667.db2.gz RPFSJCPCMAULNL-KBPBESRZSA-N -1 0 340.379 3.703 20 0 EHADRM CC(C)C[C@@H](CNC(=O)C1(Sc2ccccc2)CCCC1)C(=O)[O-] ZINC000486304936 600919707 /nfs/dbraw/zinc/91/97/07/600919707.db2.gz OMAQFFBMFDNVFK-HNNXBMFYSA-N -1 0 349.496 3.955 20 0 EHADRM CCC(CC)(NC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000342531040 600922711 /nfs/dbraw/zinc/92/27/11/600922711.db2.gz SEFRAWZDWRDQBX-SJORKVTESA-N -1 0 325.408 3.703 20 0 EHADRM CC(C)C[C@@H](CNC(=O)c1ccc2c(c1)Cc1ccccc1-2)C(=O)[O-] ZINC000431512368 600923207 /nfs/dbraw/zinc/92/32/07/600923207.db2.gz FRELQTJZUBVWAK-KRWDZBQOSA-N -1 0 337.419 3.735 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NCC2(c3ccc(Cl)cc3)CCC2)C1 ZINC000179995972 600923897 /nfs/dbraw/zinc/92/38/97/600923897.db2.gz NUHLYWGSNBPVHA-UONOGXRCSA-N -1 0 349.858 3.769 20 0 EHADRM CCC(CC)(NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000342561700 600924568 /nfs/dbraw/zinc/92/45/68/600924568.db2.gz HXAWSYZBAMGOIS-NSHDSACASA-N -1 0 345.361 3.959 20 0 EHADRM CC(C)C[C@@H](CNC(=O)C1(c2cccc(F)c2)CCCC1)C(=O)[O-] ZINC000486285292 600926142 /nfs/dbraw/zinc/92/61/42/600926142.db2.gz QSBVDDFEOVJCNA-AWEZNQCLSA-N -1 0 335.419 3.501 20 0 EHADRM CCC(CC)(NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000342545005 600926306 /nfs/dbraw/zinc/92/63/06/600926306.db2.gz KUHHTYRIVFKJIO-WDEREUQCSA-N -1 0 344.238 3.857 20 0 EHADRM CCC(CC)(NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000342573809 600928198 /nfs/dbraw/zinc/92/81/98/600928198.db2.gz SSGQQOPKOKDIRM-CHWSQXEVSA-N -1 0 344.238 3.857 20 0 EHADRM CCC(CC)(NC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3)C(=O)[O-] ZINC000828841982 600928612 /nfs/dbraw/zinc/92/86/12/600928612.db2.gz JUCVDQOVFORUDW-LBPRGKRZSA-N -1 0 342.439 3.666 20 0 EHADRM CCCC[C@H](NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(OC)cc1 ZINC000829285340 600930089 /nfs/dbraw/zinc/93/00/89/600930089.db2.gz KZKHGRHMQNASMP-BQFCYCMXSA-N -1 0 347.455 3.934 20 0 EHADRM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000826687860 600938896 /nfs/dbraw/zinc/93/88/96/600938896.db2.gz QHRHCXAJRXRVMD-GOSISDBHSA-N -1 0 343.398 3.863 20 0 EHADRM O=C([O-])CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)c1cccc(F)c1 ZINC000739710723 600939690 /nfs/dbraw/zinc/93/96/90/600939690.db2.gz HOPOAXSNWLYBIM-IAGOWNOFSA-N -1 0 345.345 3.576 20 0 EHADRM O=C([O-])c1ccc(OC(=O)c2ccc(F)c(Br)c2)cc1 ZINC000833322125 600941112 /nfs/dbraw/zinc/94/11/12/600941112.db2.gz WUDHIJBBYYJQEU-UHFFFAOYSA-N -1 0 339.116 3.506 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)c1 ZINC000833268210 600946753 /nfs/dbraw/zinc/94/67/53/600946753.db2.gz VVHKAOXIXAYDRE-GHTZIAJQSA-N -1 0 336.387 3.513 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1 ZINC000828874344 600949075 /nfs/dbraw/zinc/94/90/75/600949075.db2.gz FDCCVIHISTUYMZ-ZDUSSCGKSA-N -1 0 347.411 3.716 20 0 EHADRM CC[C@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(Cl)s1 ZINC000828921413 600953050 /nfs/dbraw/zinc/95/30/50/600953050.db2.gz BQLPCDFSBIBGDJ-VWYCJHECSA-N -1 0 329.849 3.860 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccc(C(=O)[O-])cc2)o1 ZINC000237704183 600962157 /nfs/dbraw/zinc/96/21/57/600962157.db2.gz HKBKJVIYBAZSIW-LRDDRELGSA-N -1 0 327.380 3.900 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccc(COC3CCCC3)cc2)C1 ZINC000180015375 600965450 /nfs/dbraw/zinc/96/54/50/600965450.db2.gz KHIMPLDKKOZOAF-HZPDHXFCSA-N -1 0 345.439 3.975 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccc(COC3CCCC3)cc2)C1 ZINC000180015391 600965459 /nfs/dbraw/zinc/96/54/59/600965459.db2.gz KHIMPLDKKOZOAF-JKSUJKDBSA-N -1 0 345.439 3.975 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccsc1C(=O)[O-] ZINC000829009806 600965751 /nfs/dbraw/zinc/96/57/51/600965751.db2.gz QYPRXPPPJPIIEA-WZRBSPASSA-N -1 0 325.430 3.759 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2cccc(N3CCCCCC3)c2)C1 ZINC000833185249 600967086 /nfs/dbraw/zinc/96/70/86/600967086.db2.gz GEKKBTSXNUBDJJ-JKSUJKDBSA-N -1 0 344.455 3.897 20 0 EHADRM CN(C(=O)[C@H]1C[C@]12CCCc1ccccc12)c1ccccc1C(=O)[O-] ZINC000830456474 600967354 /nfs/dbraw/zinc/96/73/54/600967354.db2.gz FXDLWVJWXNHFCC-UTKZUKDTSA-N -1 0 335.403 3.642 20 0 EHADRM Cc1cncc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCCC3)c1 ZINC000832986858 600969586 /nfs/dbraw/zinc/96/95/86/600969586.db2.gz PTNVQFODQHSZKF-UHFFFAOYSA-N -1 0 330.409 3.671 20 0 EHADRM CCOc1cccc(NC(=S)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000830104558 600969706 /nfs/dbraw/zinc/96/97/06/600969706.db2.gz IAAYDQRBKCXVKJ-UHFFFAOYSA-N -1 0 330.409 3.901 20 0 EHADRM Cc1cc(NC(=S)N[C@H]2CCc3ccccc3C2)sc1C(=O)[O-] ZINC000832897747 600970175 /nfs/dbraw/zinc/97/01/75/600970175.db2.gz VXHXIVAKIKXHID-ZDUSSCGKSA-N -1 0 346.477 3.599 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000827428478 600970401 /nfs/dbraw/zinc/97/04/01/600970401.db2.gz XCAOBSIZUKZUIB-LLVKDONJSA-N -1 0 333.334 3.870 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)c1ccc(OC2CCC2)cc1 ZINC000833157417 600970765 /nfs/dbraw/zinc/97/07/65/600970765.db2.gz ODXQZRABTRMZMF-UHFFFAOYSA-N -1 0 329.327 3.708 20 0 EHADRM CC(C)Nc1ccc(F)cc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000236754885 600979781 /nfs/dbraw/zinc/97/97/81/600979781.db2.gz IZEQXIHBTNWCJX-UHFFFAOYSA-N -1 0 344.386 3.916 20 0 EHADRM Cc1ccc(O[C@@H](C)CNC(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000832951343 600997559 /nfs/dbraw/zinc/99/75/59/600997559.db2.gz UUIUCKPRGZGGGU-AWEZNQCLSA-N -1 0 342.395 3.591 20 0 EHADRM CC[C@](C)(NC(=O)Nc1cc(C(=O)[O-])ccc1C)c1nc(C)cs1 ZINC000828685053 600997821 /nfs/dbraw/zinc/99/78/21/600997821.db2.gz DAKWDEAPZOATGP-KRWDZBQOSA-N -1 0 347.440 3.905 20 0 EHADRM C[C@H](C(=O)N(CCC(=O)[O-])Cc1ccccc1)c1cccc(Cl)c1 ZINC000678973227 600999169 /nfs/dbraw/zinc/99/91/69/600999169.db2.gz BNYRGGFEDKMSHK-AWEZNQCLSA-N -1 0 345.826 3.947 20 0 EHADRM Cc1ccc2[nH]c3c(c2c1)CN([C@H](C(=O)[O-])c1ccccc1F)CC3 ZINC000832958645 600999198 /nfs/dbraw/zinc/99/91/98/600999198.db2.gz FBULGZDYALTMLR-IBGZPJMESA-N -1 0 338.382 3.799 20 0 EHADRM C[C@@H](CNC(=O)Nc1cccc(C(=O)[O-])c1)Sc1ccccc1 ZINC000827492516 601008638 /nfs/dbraw/zinc/00/86/38/601008638.db2.gz BSOAGHJPBJYNRX-LBPRGKRZSA-N -1 0 330.409 3.687 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)[C@@H]1CCSc2ccccc21 ZINC000740066187 601009517 /nfs/dbraw/zinc/00/95/17/601009517.db2.gz LYOUIABABNKXGZ-LLVKDONJSA-N -1 0 331.368 3.742 20 0 EHADRM CN(C(=O)C[C@H](Cc1ccccc1)c1ccccc1)C(C)(C)C(=O)[O-] ZINC000362341103 601009804 /nfs/dbraw/zinc/00/98/04/601009804.db2.gz VGSPIZQTRWMEMY-SFHVURJKSA-N -1 0 339.435 3.725 20 0 EHADRM CCN(C(=O)c1cc2cccc(F)c2o1)c1ccccc1C(=O)[O-] ZINC000737057330 601013277 /nfs/dbraw/zinc/01/32/77/601013277.db2.gz FGSQTVSBCIGPTM-UHFFFAOYSA-N -1 0 327.311 3.937 20 0 EHADRM CN(C(=O)[C@@H]1CCSc2ccccc21)[C@H](C(=O)[O-])c1ccccc1 ZINC000737314785 601018938 /nfs/dbraw/zinc/01/89/38/601018938.db2.gz SDOSVOZEGMXYKF-WBVHZDCISA-N -1 0 341.432 3.550 20 0 EHADRM Cc1ccccc1O[C@H](C)CNC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000832979059 601024043 /nfs/dbraw/zinc/02/40/43/601024043.db2.gz GKFDCBQCDSZFFP-CYBMUJFWSA-N -1 0 343.383 3.674 20 0 EHADRM CC(C)(C)[C@H](NC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000675987053 601024452 /nfs/dbraw/zinc/02/44/52/601024452.db2.gz QQJDESNDZUDAQF-RWMBFGLXSA-N -1 0 344.238 3.712 20 0 EHADRM CC(C)(C)[C@H](NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000675987051 601024581 /nfs/dbraw/zinc/02/45/81/601024581.db2.gz QQJDESNDZUDAQF-FRRDWIJNSA-N -1 0 344.238 3.712 20 0 EHADRM O=C([O-])CCN(C(=O)c1cc2cccc(F)c2o1)c1cccc(F)c1 ZINC000739712841 601026193 /nfs/dbraw/zinc/02/61/93/601026193.db2.gz SKMLXBBOGSJQRM-UHFFFAOYSA-N -1 0 345.301 3.833 20 0 EHADRM CCSCC[C@H](C)N(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000830164420 601026478 /nfs/dbraw/zinc/02/64/78/601026478.db2.gz WFRINDGLNMTJPL-JTQLQIEISA-N -1 0 328.409 3.519 20 0 EHADRM C[C@@H]1C[C@@H]1[C@H](NC(=O)CCCN(C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000736766303 601034004 /nfs/dbraw/zinc/03/40/04/601034004.db2.gz RBABKQWERSJVDR-DIOULYMOSA-N -1 0 338.835 3.543 20 0 EHADRM CCCCc1ccc(C(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)cc1 ZINC000737001393 601035867 /nfs/dbraw/zinc/03/58/67/601035867.db2.gz UOULHFUCXUNNEN-UHFFFAOYSA-N -1 0 344.436 3.993 20 0 EHADRM O=C([O-])c1cnc(N(C(=O)CC/C=C/c2ccccc2)C2CC2)s1 ZINC000740255524 601036643 /nfs/dbraw/zinc/03/66/43/601036643.db2.gz YWCXYRHIZVNSHA-XBXARRHUSA-N -1 0 342.420 3.830 20 0 EHADRM O=C([O-])c1cnc(N(C(=O)c2cc3ccccc3s2)C2CC2)s1 ZINC000740259563 601038034 /nfs/dbraw/zinc/03/80/34/601038034.db2.gz LKQVDILGTNCUFS-UHFFFAOYSA-N -1 0 344.417 3.865 20 0 EHADRM O=C([O-])c1cnc(N(C(=O)[C@H]2C[C@@H]2C2CCCCC2)C2CC2)s1 ZINC000740252778 601040910 /nfs/dbraw/zinc/04/09/10/601040910.db2.gz FXAMHURDRLCGDO-OLZOCXBDSA-N -1 0 334.441 3.553 20 0 EHADRM Cc1csc([C@H](NC(=O)Nc2ccc(C(=O)[O-])cc2F)C2CC2)n1 ZINC000821146986 601044681 /nfs/dbraw/zinc/04/46/81/601044681.db2.gz PMEDRMSVTPPGCQ-CYBMUJFWSA-N -1 0 349.387 3.562 20 0 EHADRM C[C@@H](C(=O)NCCCCCC(=O)[O-])c1ccccc1C(F)(F)F ZINC000676211309 601051734 /nfs/dbraw/zinc/05/17/34/601051734.db2.gz BIADVDUVJCBJNT-LLVKDONJSA-N -1 0 331.334 3.570 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@H](C)c2cccc(Cl)c2)cc1C(=O)[O-] ZINC000262065493 601051810 /nfs/dbraw/zinc/05/18/10/601051810.db2.gz CICRIIIUWCEROS-SNVBAGLBSA-N -1 0 335.787 3.702 20 0 EHADRM Cc1[nH]c(C(=O)CN2CC[C@H](C)C[C@H]2c2ccco2)c(C)c1C(=O)[O-] ZINC000832844047 601053884 /nfs/dbraw/zinc/05/38/84/601053884.db2.gz LNPAJOPXGAIQAP-FZMZJTMJSA-N -1 0 344.411 3.579 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2c[nH]cc2-c2ccc(F)cc2)cc1 ZINC000739880220 601053943 /nfs/dbraw/zinc/05/39/43/601053943.db2.gz YDBDVPKBINCXLU-UHFFFAOYSA-N -1 0 338.338 3.700 20 0 EHADRM C[C@H](CCc1cccn1C)NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000827428111 601053953 /nfs/dbraw/zinc/05/39/53/601053953.db2.gz SBRYGOHOMRRJGF-LLVKDONJSA-N -1 0 349.818 3.520 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CCS1 ZINC000826742218 601054080 /nfs/dbraw/zinc/05/40/80/601054080.db2.gz WVZXDIPJCOZRGK-ZDUSSCGKSA-N -1 0 342.848 3.644 20 0 EHADRM CCn1nc(C)c(NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1C ZINC000830441135 601054303 /nfs/dbraw/zinc/05/43/03/601054303.db2.gz YAXGVIWMSUHXAG-UHFFFAOYSA-N -1 0 336.779 3.515 20 0 EHADRM Cc1ccccc1SCC(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000832981960 601057605 /nfs/dbraw/zinc/05/76/05/601057605.db2.gz RFCAOTPIBNIRHF-MRXNPFEDSA-N -1 0 334.368 3.595 20 0 EHADRM Cc1ccc(OCCCC(=O)Oc2ccccc2CC(=O)[O-])cc1C ZINC000832952698 601059556 /nfs/dbraw/zinc/05/95/56/601059556.db2.gz ZZWFDGPIJWRXGR-UHFFFAOYSA-N -1 0 342.391 3.695 20 0 EHADRM Cc1ccc(NC(=O)COc2ccc(F)cc2Cl)cc1C(=O)[O-] ZINC000320523279 601062757 /nfs/dbraw/zinc/06/27/57/601062757.db2.gz CVGLFYTUKJTLCO-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM Cc1c(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)cnn1-c1ccc(C)cc1 ZINC000532009668 601065589 /nfs/dbraw/zinc/06/55/89/601065589.db2.gz BHMJEQVNWQMFPZ-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM O=C([O-])[C@H](CNC(=O)CCc1ccc2ccccc2c1)c1ccccc1 ZINC000486308837 601071144 /nfs/dbraw/zinc/07/11/44/601071144.db2.gz KZEFZVJPHOSIKY-HXUWFJFHSA-N -1 0 347.414 3.757 20 0 EHADRM Cc1cc(C)c(/C=C/C(=O)NC[C@H](C(=O)[O-])c2ccccc2)cc1C ZINC000738355440 601071716 /nfs/dbraw/zinc/07/17/16/601071716.db2.gz ITBHDODIGCXPNE-YXBWYFRISA-N -1 0 337.419 3.610 20 0 EHADRM CCSCc1cccc(NC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC000830169315 601073794 /nfs/dbraw/zinc/07/37/94/601073794.db2.gz RIJVYMGPZFOYDN-OAHLLOKOSA-N -1 0 348.468 3.658 20 0 EHADRM CC(C)OCc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000827033708 601074326 /nfs/dbraw/zinc/07/43/26/601074326.db2.gz OZVALCRPVVFZFR-QGZVFWFLSA-N -1 0 346.354 3.733 20 0 EHADRM COCc1cccc(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)c1 ZINC000831817092 601078912 /nfs/dbraw/zinc/07/89/12/601078912.db2.gz APUZEDNYVJGNIP-UHFFFAOYSA-N -1 0 348.424 3.538 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1cc2ccccc2[nH]1 ZINC000833179365 601079839 /nfs/dbraw/zinc/07/98/39/601079839.db2.gz NCADUMMZGWEKLK-QAPCUYQASA-N -1 0 340.423 3.664 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000827592470 601080416 /nfs/dbraw/zinc/08/04/16/601080416.db2.gz MMQMPSHCSOGWOH-AYOQOUSVSA-N -1 0 343.467 3.747 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)CCCc1cccs1 ZINC000833176217 601085485 /nfs/dbraw/zinc/08/54/85/601085485.db2.gz CAFFHNZGLNQABR-NVXWUHKLSA-N -1 0 349.496 3.953 20 0 EHADRM Cc1cc(C(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])ccc1F ZINC000832861194 601086270 /nfs/dbraw/zinc/08/62/70/601086270.db2.gz ZAQHJAKNVUAFMC-RDJZCZTQSA-N -1 0 333.403 3.630 20 0 EHADRM CCN(Cc1ccoc1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000829734492 601092128 /nfs/dbraw/zinc/09/21/28/601092128.db2.gz DHOXXNJSCRWXRL-UHFFFAOYSA-N -1 0 330.384 3.696 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1F ZINC000833352297 601097674 /nfs/dbraw/zinc/09/76/74/601097674.db2.gz VMYXTKISCCCIMV-OAHLLOKOSA-N -1 0 347.729 3.943 20 0 EHADRM O=C([O-])[C@@H](OC(=O)CC[C@H]1CCCO1)c1ccc(Cl)cc1Cl ZINC000833096847 601102808 /nfs/dbraw/zinc/10/28/08/601102808.db2.gz XBHZEBAYKVIUPW-YGRLFVJLSA-N -1 0 347.194 3.622 20 0 EHADRM COc1cccc2cc(C(=O)O[C@@H](C(=O)[O-])c3ccccc3F)oc21 ZINC000832578399 601104122 /nfs/dbraw/zinc/10/41/22/601104122.db2.gz WPNJVLBQHYJIQC-MRXNPFEDSA-N -1 0 344.294 3.563 20 0 EHADRM COc1ccccc1[C@H](CC(C)C)NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000263561696 601107075 /nfs/dbraw/zinc/10/70/75/601107075.db2.gz CGXFIQXRWYNAFB-VYDXJSESSA-N -1 0 347.455 3.790 20 0 EHADRM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000630294419 601107881 /nfs/dbraw/zinc/10/78/81/601107881.db2.gz JJCVFNVLEOXLLJ-TZMCWYRMSA-N -1 0 329.421 3.540 20 0 EHADRM C[C@H](OC(=O)c1ccccc1N(C)C(=O)[O-])c1ccc(F)cc1F ZINC000827866370 601116649 /nfs/dbraw/zinc/11/66/49/601116649.db2.gz BZBGLQZZADIMNW-JTQLQIEISA-N -1 0 335.306 3.997 20 0 EHADRM CCN(C(=O)c1oc2c(cccc2C)c1C)c1ncc(C(=O)[O-])s1 ZINC000737061765 601125068 /nfs/dbraw/zinc/12/50/68/601125068.db2.gz HZBYYRHRGWSIBV-UHFFFAOYSA-N -1 0 344.392 3.871 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2ccc(OC3CCCCC3)cc2)CCC1 ZINC000649539810 601129509 /nfs/dbraw/zinc/12/95/09/601129509.db2.gz ICJIPXPKSMZRRL-UHFFFAOYSA-N -1 0 346.427 3.917 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H](C)c1c(Cl)cccc1Cl ZINC000828617416 601133990 /nfs/dbraw/zinc/13/39/90/601133990.db2.gz DACGGFFSLRLTEJ-RFAUZJTJSA-N -1 0 332.227 3.857 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)c1ccc(Oc2ccccc2)o1 ZINC000236754130 601135847 /nfs/dbraw/zinc/13/58/47/601135847.db2.gz HJGDPBCBBSSVEY-UHFFFAOYSA-N -1 0 331.368 3.645 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)C(C)=Cc1ccc(F)cc1 ZINC000825942221 601141649 /nfs/dbraw/zinc/14/16/49/601141649.db2.gz MXHGGRCOPDRAGM-PKNBQFBNSA-N -1 0 342.322 3.735 20 0 EHADRM Cc1ccc(NC(=O)N2CCCc3sccc3C2)cc1C(=O)[O-] ZINC000832946369 601142682 /nfs/dbraw/zinc/14/26/82/601142682.db2.gz UOILAXRWTRRAJN-UHFFFAOYSA-N -1 0 330.409 3.735 20 0 EHADRM C[C@H]1CCc2c(C(=O)N(CC(=O)[O-])c3cccc(F)c3)csc2C1 ZINC000828311327 601143660 /nfs/dbraw/zinc/14/36/60/601143660.db2.gz WSZOIIVURXNKPL-NSHDSACASA-N -1 0 347.411 3.743 20 0 EHADRM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)NCCCCCCC(=O)[O-] ZINC000828151265 601148270 /nfs/dbraw/zinc/14/82/70/601148270.db2.gz TUTMOJPULHEELW-WMZOPIPTSA-N -1 0 346.471 3.684 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)O[C@@H](c2ccccc2)c2ccccn2)C1 ZINC000833189745 601149092 /nfs/dbraw/zinc/14/90/92/601149092.db2.gz UMNBTJLUFXQCHS-RYRKJORJSA-N -1 0 339.391 3.605 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CCSc3ccc(Cl)cc32)C1 ZINC000833183111 601149795 /nfs/dbraw/zinc/14/97/95/601149795.db2.gz PODZUSLXNYNLDC-MNOVXSKESA-N -1 0 339.844 3.670 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)c1cc(Cl)ccc1OC(F)F ZINC000826875660 601151629 /nfs/dbraw/zinc/15/16/29/601151629.db2.gz GVBLIDYOEARLSK-UHFFFAOYSA-N -1 0 349.761 3.514 20 0 EHADRM Cc1ccc(N(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)C2CCCCC2)nc1 ZINC000832936082 601155628 /nfs/dbraw/zinc/15/56/28/601155628.db2.gz WNAKEBMPXPTRPZ-JKSUJKDBSA-N -1 0 344.455 3.947 20 0 EHADRM Cc1ccc(CCCC(=O)Nc2ccc(CNC(=O)[O-])cc2)s1 ZINC000832930966 601157948 /nfs/dbraw/zinc/15/79/48/601157948.db2.gz WTTLCPAWVQALCL-UHFFFAOYSA-N -1 0 332.425 3.786 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000246531630 601169398 /nfs/dbraw/zinc/16/93/98/601169398.db2.gz AJEFGOSXBJIJSU-GLJUWKHASA-N -1 0 343.398 3.583 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)C/C=C\c1cccc(F)c1)c1ccccc1 ZINC000486062038 601170786 /nfs/dbraw/zinc/17/07/86/601170786.db2.gz KUXCERHYUVFBPC-SDVJTUAPSA-N -1 0 341.382 3.807 20 0 EHADRM C/C(=C/CN1CCCN(C(=O)OC(C)(C)C)c2ccccc21)C(=O)[O-] ZINC000825742435 601171896 /nfs/dbraw/zinc/17/18/96/601171896.db2.gz YZMVZAUIUWSSLM-UVTDQMKNSA-N -1 0 346.427 3.669 20 0 EHADRM O=C([O-])[C@@H](OC(=O)[C@H]1CCCS1)c1ccc(Cl)cc1Cl ZINC000833351410 601175428 /nfs/dbraw/zinc/17/54/28/601175428.db2.gz QXMIYMAGJJDJRE-MNOVXSKESA-N -1 0 335.208 3.558 20 0 EHADRM O=C([O-])CC1(NC(=O)c2ccc(OC3CCC3)cc2)CCCCC1 ZINC000663124015 601187512 /nfs/dbraw/zinc/18/75/12/601187512.db2.gz VRNOUPWRUKCVOD-UHFFFAOYSA-N -1 0 331.412 3.525 20 0 EHADRM O=C([O-])c1coc(COC(=O)c2cc(Cl)ccc2OC(F)F)c1 ZINC000833340218 601189193 /nfs/dbraw/zinc/18/91/93/601189193.db2.gz DARMHWXMLQNSCW-UHFFFAOYSA-N -1 0 346.669 3.590 20 0 EHADRM CCS[C@H]1CCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000318867401 601193004 /nfs/dbraw/zinc/19/30/04/601193004.db2.gz POYKKPPAPLSLAG-OLZOCXBDSA-N -1 0 342.848 3.834 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC000832992192 601194572 /nfs/dbraw/zinc/19/45/72/601194572.db2.gz BFUOFNPZDTZWJI-INIZCTEOSA-N -1 0 337.331 3.633 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C/C=C\c1ccc(F)cc1)c1cccs1 ZINC000675950707 601195567 /nfs/dbraw/zinc/19/55/67/601195567.db2.gz YDYNHXUEGRPZGR-VXYRWZGASA-N -1 0 333.384 3.623 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(C)(C)C ZINC000263280242 601213672 /nfs/dbraw/zinc/21/36/72/601213672.db2.gz SWYNTPQMFWLVTG-GDBMZVCRSA-N -1 0 332.444 3.588 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)N1CCC(CC(=O)[O-])CC1)C(C)(C)C ZINC000832981185 601213901 /nfs/dbraw/zinc/21/39/01/601213901.db2.gz BMTYDHFSABENGQ-SFHVURJKSA-N -1 0 346.471 3.979 20 0 EHADRM CO[C@H](C)c1nc(CNc2ccc(C(C)(C)C(=O)[O-])cc2)cs1 ZINC000831499949 601223295 /nfs/dbraw/zinc/22/32/95/601223295.db2.gz HLMCJKPIFYTBHW-LLVKDONJSA-N -1 0 334.441 3.825 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N(CC(F)(F)F)C2CCCC2)c1 ZINC000833291331 601224848 /nfs/dbraw/zinc/22/48/48/601224848.db2.gz YAKQTUGQFRXZBR-UHFFFAOYSA-N -1 0 330.306 3.724 20 0 EHADRM C[C@H](OC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1cnc2ccccc2c1 ZINC000827828070 601238210 /nfs/dbraw/zinc/23/82/10/601238210.db2.gz VDOZMAQZINZPPX-QEJZJMRPSA-N -1 0 327.380 3.730 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)CC(C)(C)c1ccccc1)c1ccccc1 ZINC000237495530 601244184 /nfs/dbraw/zinc/24/41/84/601244184.db2.gz UDRYFNCQLRHYRT-HNAYVOBHSA-N -1 0 339.435 3.933 20 0 EHADRM O=C([O-])c1cc(C(=O)NC2(c3ccc(Cl)cc3)CCCC2)ccn1 ZINC000833129454 601245947 /nfs/dbraw/zinc/24/59/47/601245947.db2.gz LMLZADSAMRZPOX-UHFFFAOYSA-N -1 0 344.798 3.633 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])s2)cc1Br ZINC000129379664 601267998 /nfs/dbraw/zinc/26/79/98/601267998.db2.gz HXRSIIRBLVQRPW-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2CC23CCCC3)c(OC(F)F)c1 ZINC000621564700 601269586 /nfs/dbraw/zinc/26/95/86/601269586.db2.gz SEVSANFIBIDGIP-JTQLQIEISA-N -1 0 325.311 3.505 20 0 EHADRM CC(C)[C@@H](NC(=O)c1cc(C2CC2)nc2ccc(Cl)cc21)C(=O)[O-] ZINC000236707160 601272488 /nfs/dbraw/zinc/27/24/88/601272488.db2.gz NNSOAIFPNGQHOT-MRXNPFEDSA-N -1 0 346.814 3.605 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1 ZINC000315778501 601275598 /nfs/dbraw/zinc/27/55/98/601275598.db2.gz GSDUSRBZMQDMHR-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000776595113 601278365 /nfs/dbraw/zinc/27/83/65/601278365.db2.gz DHWRHODWAUGQQI-CFRMROPGSA-N -1 0 333.384 3.623 20 0 EHADRM CCCCOc1ccc(NC(=O)c2ccnc(C(=O)[O-])c2)c(C)c1 ZINC000236703765 601279566 /nfs/dbraw/zinc/27/95/66/601279566.db2.gz JXHXBHWDDQJOFK-UHFFFAOYSA-N -1 0 328.368 3.519 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)C/C=C\c1cccc(F)c1 ZINC000675946255 601280523 /nfs/dbraw/zinc/28/05/23/601280523.db2.gz ANRKFCIGNLUFQF-UITAMQMPSA-N -1 0 341.382 3.733 20 0 EHADRM O=C([O-])c1cc(C(=O)Nc2ccc(NC3CCCCC3)cc2)ccn1 ZINC000675961186 601281811 /nfs/dbraw/zinc/28/18/11/601281811.db2.gz HAWGKRYNPIJHJD-UHFFFAOYSA-N -1 0 339.395 3.777 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2cccc3cccnc32)CCCCC1 ZINC000325840020 601296794 /nfs/dbraw/zinc/29/67/94/601296794.db2.gz YGAPRFRLZDBCEP-UHFFFAOYSA-N -1 0 327.384 3.534 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC000237754966 601298703 /nfs/dbraw/zinc/29/87/03/601298703.db2.gz UUHWTLFBOLAODN-BMIGLBTASA-N -1 0 335.762 3.671 20 0 EHADRM Cc1ccc(NC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)cc1F ZINC000832947896 601309033 /nfs/dbraw/zinc/30/90/33/601309033.db2.gz XNWKSPKMUXFPKJ-OAHLLOKOSA-N -1 0 334.322 3.611 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cccc(Oc2ccncc2)c1 ZINC000828794036 601309216 /nfs/dbraw/zinc/30/92/16/601309216.db2.gz LUIXMOXAWUGTSU-UHFFFAOYSA-N -1 0 342.395 3.637 20 0 EHADRM Cn1cc(NC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)cc1C(=O)[O-] ZINC000833045823 601311310 /nfs/dbraw/zinc/31/13/10/601311310.db2.gz PJDIGLHTMPFTTL-SJORKVTESA-N -1 0 334.375 3.619 20 0 EHADRM C[C@H](C(=O)Nc1cc(C(=O)[O-])n(C)c1)c1ccc(Cl)c(Cl)c1 ZINC000826012236 601312776 /nfs/dbraw/zinc/31/27/76/601312776.db2.gz GRWUUYGOZLRSMP-QMMMGPOBSA-N -1 0 341.194 3.772 20 0 EHADRM Cn1cc(NC(=O)c2cc3c(ccc4ccccc34)[nH]2)cc1C(=O)[O-] ZINC000833052420 601318037 /nfs/dbraw/zinc/31/80/37/601318037.db2.gz WAIFJUNOYYNILA-UHFFFAOYSA-N -1 0 333.347 3.610 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000828201695 601336602 /nfs/dbraw/zinc/33/66/02/601336602.db2.gz UZENCXAHSLOXJP-FRFSOERESA-N -1 0 345.443 3.981 20 0 EHADRM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000828148946 601336791 /nfs/dbraw/zinc/33/67/91/601336791.db2.gz FVNLYLYORATBPM-IUODEOHRSA-N -1 0 342.370 3.934 20 0 EHADRM C/C(=C/c1nc(COc2cccc(C(=O)[O-])c2)no1)c1ccccc1 ZINC000825798700 601363228 /nfs/dbraw/zinc/36/32/28/601363228.db2.gz SRDNLRQRFGDMCX-RAXLEYEMSA-N -1 0 336.347 3.907 20 0 EHADRM CCC(=O)Nc1ccc(C)c(NCc2cc(C(=O)[O-])oc2CC)c1 ZINC000828570773 601389934 /nfs/dbraw/zinc/38/99/34/601389934.db2.gz WJMAUBARHFIBHS-UHFFFAOYSA-N -1 0 330.384 3.809 20 0 EHADRM CCCOc1cccc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000236873711 601391453 /nfs/dbraw/zinc/39/14/53/601391453.db2.gz CPIAZFISZHJZDB-KDOFPFPSSA-N -1 0 341.407 3.667 20 0 EHADRM Cc1cc(C)n(-c2ccc(NCc3cc(C(=O)[O-])oc3C)cc2F)n1 ZINC000832879666 601391599 /nfs/dbraw/zinc/39/15/99/601391599.db2.gz QENMGJXLYNNVQJ-UHFFFAOYSA-N -1 0 343.358 3.840 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000776630732 601391828 /nfs/dbraw/zinc/39/18/28/601391828.db2.gz VVFRCILRKXRPID-NSHDSACASA-N -1 0 331.343 3.665 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000776630731 601391847 /nfs/dbraw/zinc/39/18/47/601391847.db2.gz VVFRCILRKXRPID-LLVKDONJSA-N -1 0 331.343 3.665 20 0 EHADRM Cc1ccc2oc(C(=O)N[C@H](c3ccccc3)[C@@H](C)C(=O)[O-])cc2c1 ZINC000237758978 601391960 /nfs/dbraw/zinc/39/19/60/601391960.db2.gz VBKXZUDVWBOFIC-ACJLOTCBSA-N -1 0 337.375 3.933 20 0 EHADRM C[C@H](C(=O)NC1(C(=O)[O-])CCCCCC1)c1ccc(Cl)s1 ZINC000191243217 601392651 /nfs/dbraw/zinc/39/26/51/601392651.db2.gz IWRIRALEFNLEGP-JTQLQIEISA-N -1 0 329.849 3.799 20 0 EHADRM C/C(=C/C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-])c1ccc(F)cc1 ZINC000237619411 601393183 /nfs/dbraw/zinc/39/31/83/601393183.db2.gz QMOSTZFPCBNYSM-SGZWJIBDSA-N -1 0 341.382 3.807 20 0 EHADRM C[C@H](C(=O)OCc1csc(-c2ccc(C(=O)[O-])cc2)n1)C1CC1 ZINC000826070751 601404316 /nfs/dbraw/zinc/40/43/16/601404316.db2.gz DORXNONETAJRRK-JTQLQIEISA-N -1 0 331.393 3.598 20 0 EHADRM CN(Cc1ccc2ccccc2c1)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000830840197 601423839 /nfs/dbraw/zinc/42/38/39/601423839.db2.gz KYSXWQOOHJEKTL-UHFFFAOYSA-N -1 0 340.423 3.626 20 0 EHADRM C[C@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1c(F)cccc1Cl ZINC000827630742 601426767 /nfs/dbraw/zinc/42/67/67/601426767.db2.gz SCUNJBHCKGIKRD-NSHDSACASA-N -1 0 349.789 3.987 20 0 EHADRM O=C([O-])CC1(NC(=O)Cc2coc3ccc4ccccc4c23)CCC1 ZINC000532593396 601439039 /nfs/dbraw/zinc/43/90/39/601439039.db2.gz LNPAEBVYBLKDGM-UHFFFAOYSA-N -1 0 337.375 3.642 20 0 EHADRM Cc1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c(C(=O)[O-])c1 ZINC000323077586 601446887 /nfs/dbraw/zinc/44/68/87/601446887.db2.gz QRTOFSYVZZHYMR-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM CC[C@@H](Oc1ccccc1F)C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000829021659 601449183 /nfs/dbraw/zinc/44/91/83/601449183.db2.gz WJLYIEJSJWDUCS-CQSZACIVSA-N -1 0 333.315 3.679 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2ccc(F)c(F)c2F)ccc1F ZINC000833282058 601449368 /nfs/dbraw/zinc/44/93/68/601449368.db2.gz BKPSPIGJEAVGJE-UHFFFAOYSA-N -1 0 328.221 3.585 20 0 EHADRM Cc1ccc(NC(=O)Cc2coc3cc(F)ccc23)c(C(=O)[O-])c1 ZINC000832943764 601451140 /nfs/dbraw/zinc/45/11/40/601451140.db2.gz HXJVNHIFPTVWFQ-UHFFFAOYSA-N -1 0 327.311 3.760 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2c(F)c(F)cc(F)c2F)ccc1F ZINC000833284125 601451219 /nfs/dbraw/zinc/45/12/19/601451219.db2.gz ZWZHMDSLAODCTI-UHFFFAOYSA-N -1 0 346.211 3.724 20 0 EHADRM COc1cc(F)c([C@H](C)OC(=O)c2ccc(C(=O)[O-])s2)c(F)c1 ZINC000832004825 601460565 /nfs/dbraw/zinc/46/05/65/601460565.db2.gz WJUOEMQAKLHCDM-ZETCQYMHSA-N -1 0 342.319 3.651 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)CSc1ccc2ccccc2c1 ZINC000237100754 601466534 /nfs/dbraw/zinc/46/65/34/601466534.db2.gz MGHWMPUEEGEWCN-GOSISDBHSA-N -1 0 331.437 3.692 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CCOc1ccc(Cl)cc1Cl ZINC000236992921 601469993 /nfs/dbraw/zinc/46/99/93/601469993.db2.gz JRSDICVNGWYGMM-HNNXBMFYSA-N -1 0 348.226 3.522 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1cc2ccccc2s1 ZINC000324771795 601473685 /nfs/dbraw/zinc/47/36/85/601473685.db2.gz ZKULXIUFAKGNNQ-KRWDZBQOSA-N -1 0 337.400 3.726 20 0 EHADRM COc1ccc([C@H](C)CC(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC000832220793 601474423 /nfs/dbraw/zinc/47/44/23/601474423.db2.gz HDFQUIWKBSPLLF-VXGBXAGGSA-N -1 0 332.352 3.784 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2ccccc2Oc2ccccc2)CCC1 ZINC000327410292 601476459 /nfs/dbraw/zinc/47/64/59/601476459.db2.gz HTLLBSJRMIYDED-UHFFFAOYSA-N -1 0 340.379 3.998 20 0 EHADRM CCS[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000830158567 601478037 /nfs/dbraw/zinc/47/80/37/601478037.db2.gz XZWMDYIBYQUCOU-GXTWGEPZSA-N -1 0 340.420 3.710 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)C/C=C\c1ccc(C)cc1 ZINC000831913538 601498773 /nfs/dbraw/zinc/49/87/73/601498773.db2.gz RRDCVSFYWUONPD-ARJAWSKDSA-N -1 0 326.348 3.711 20 0 EHADRM Cc1ccc(/C=C/CC(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1 ZINC000262177545 601499778 /nfs/dbraw/zinc/49/97/78/601499778.db2.gz RAWKPLZHYZUPFI-SFNRIZHHSA-N -1 0 327.424 3.643 20 0 EHADRM Cc1ccc(/C=C/CC(=O)N(CCC(=O)[O-])Cc2ccccc2)cc1 ZINC000832928878 601500555 /nfs/dbraw/zinc/50/05/55/601500555.db2.gz XUGXVGJIZOCIQQ-VMPITWQZSA-N -1 0 337.419 3.902 20 0 EHADRM C[C@@H]1CC/C(=C/C(=O)NCc2c3ccccc3sc2C(=O)[O-])C1 ZINC000828201498 601500994 /nfs/dbraw/zinc/50/09/94/601500994.db2.gz SQDQVIGGRVUYJO-ZGSOTFDTSA-N -1 0 329.421 3.962 20 0 EHADRM O=C([O-])Nc1ccc(OS(=O)(=O)c2cccc3ccccc32)cc1 ZINC000833289463 601509278 /nfs/dbraw/zinc/50/92/78/601509278.db2.gz HTCDDEZEJOXQRE-UHFFFAOYSA-N -1 0 343.360 3.697 20 0 EHADRM CCCCc1ccc(C(=O)N(CCC(=O)[O-])Cc2ccncc2)cc1 ZINC000829430640 601516461 /nfs/dbraw/zinc/51/64/61/601516461.db2.gz ITFMGSPQJWZHAZ-UHFFFAOYSA-N -1 0 340.423 3.541 20 0 EHADRM Cc1cc(C)cc(NC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)c1 ZINC000237837704 601525196 /nfs/dbraw/zinc/52/51/96/601525196.db2.gz LUDHABXDUDIKTJ-UHFFFAOYSA-N -1 0 327.380 3.636 20 0 EHADRM Cc1ccccc1[C@H](C)NC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000237584722 601528381 /nfs/dbraw/zinc/52/83/81/601528381.db2.gz XRSAIGPZXIBAEU-HNNXBMFYSA-N -1 0 341.407 3.566 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@@H]2C2CCCC2)cc(C)c1OCC(=O)[O-] ZINC000237842483 601535061 /nfs/dbraw/zinc/53/50/61/601535061.db2.gz OLXISSUYIASIDJ-QGZVFWFLSA-N -1 0 345.439 3.562 20 0 EHADRM O=C([O-])CCCNC(=O)N1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000556907505 601555455 /nfs/dbraw/zinc/55/54/55/601555455.db2.gz HSAHZKASZKFFKH-MUSGIIIZSA-N -1 0 330.428 3.519 20 0 EHADRM Cc1[nH]c(C(=O)CSCc2ccc(F)cc2F)c(C)c1C(=O)[O-] ZINC000832842833 601558098 /nfs/dbraw/zinc/55/80/98/601558098.db2.gz DEULFYABSODTBM-UHFFFAOYSA-N -1 0 339.363 3.724 20 0 EHADRM CC[C@@](NC(=O)C1(Cc2ccccc2)CC1)(C(=O)[O-])c1ccccc1 ZINC000828914609 601558567 /nfs/dbraw/zinc/55/85/67/601558567.db2.gz IBWMDXDAISEQOI-NRFANRHFSA-N -1 0 337.419 3.516 20 0 EHADRM CN(Cc1ccc(NC(=O)C2(Cc3ccccc3)CC2)cc1)C(=O)[O-] ZINC000830830727 601564781 /nfs/dbraw/zinc/56/47/81/601564781.db2.gz MAJSXVUQABQCHM-UHFFFAOYSA-N -1 0 338.407 3.758 20 0 EHADRM O=C([O-])CCN(C(=O)C1(Cc2ccccc2)CC1)c1cccc(F)c1 ZINC000833232063 601567004 /nfs/dbraw/zinc/56/70/04/601567004.db2.gz JXYNKAGRTLOVFA-UHFFFAOYSA-N -1 0 341.382 3.656 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1)c1cccc(F)c1 ZINC000539567194 601583385 /nfs/dbraw/zinc/58/33/85/601583385.db2.gz DDFGVJHYFVFUPA-APPDUMDISA-N -1 0 349.789 3.915 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CCCc1ccccc1)c1ccc(Cl)cc1 ZINC000537361930 601583926 /nfs/dbraw/zinc/58/39/26/601583926.db2.gz ARDWGELEUFZSGI-KRWDZBQOSA-N -1 0 331.799 3.605 20 0 EHADRM O=C([O-])[C@H](NC(=O)CCCc1ccccc1)c1ccc(Cl)cc1 ZINC000537361933 601583952 /nfs/dbraw/zinc/58/39/52/601583952.db2.gz ARDWGELEUFZSGI-QGZVFWFLSA-N -1 0 331.799 3.605 20 0 EHADRM CCCCSCCC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000263132481 601586415 /nfs/dbraw/zinc/58/64/15/601586415.db2.gz HHTGHEYROYEEQV-CQSZACIVSA-N -1 0 329.849 3.505 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)OCc1cc2c(cccc2Cl)[nH]1 ZINC000826806047 601599434 /nfs/dbraw/zinc/59/94/34/601599434.db2.gz CQNQWDKSZQNEQX-AWEZNQCLSA-N -1 0 338.791 3.547 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)Nc1nc(C2CC2)cs1)c1ccccc1 ZINC000826038306 601603328 /nfs/dbraw/zinc/60/33/28/601603328.db2.gz FSJGENGJRVUBLO-IINYFYTJSA-N -1 0 345.424 3.604 20 0 EHADRM CC(C)(C)c1nnc(CNc2cc3ccccc3cc2C(=O)[O-])o1 ZINC000826528320 601605767 /nfs/dbraw/zinc/60/57/67/601605767.db2.gz WDCPCLJRDDGKQR-UHFFFAOYSA-N -1 0 325.368 3.831 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1C ZINC000832945899 601614581 /nfs/dbraw/zinc/61/45/81/601614581.db2.gz ARSGXIFNOFNFSW-WMLDXEAASA-N -1 0 326.396 3.887 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1C ZINC000832945895 601614583 /nfs/dbraw/zinc/61/45/83/601614583.db2.gz ARSGXIFNOFNFSW-RHSMWYFYSA-N -1 0 326.396 3.887 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)CCCOc1ccccc1Cl ZINC000238068564 601615810 /nfs/dbraw/zinc/61/58/10/601615810.db2.gz QZCFJURRNNVSEL-UHFFFAOYSA-N -1 0 347.798 3.765 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)Cc1coc2cc3c(cc12)CCC3 ZINC000238080061 601617659 /nfs/dbraw/zinc/61/76/59/601617659.db2.gz MZSMMODFZTVHOU-UHFFFAOYSA-N -1 0 349.386 3.730 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000830169356 601623874 /nfs/dbraw/zinc/62/38/74/601623874.db2.gz TUWIUZUQQDTWIW-NSHDSACASA-N -1 0 342.848 3.827 20 0 EHADRM Cc1c(F)cccc1NC(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832854487 601627779 /nfs/dbraw/zinc/62/77/79/601627779.db2.gz KORXZMUVCBUVGF-WBMJQRKESA-N -1 0 330.359 3.718 20 0 EHADRM CCc1cc(=O)oc2cc(OCc3ccc(C(=O)[O-])c(F)c3)ccc12 ZINC000830209564 601628545 /nfs/dbraw/zinc/62/85/45/601628545.db2.gz MWPOWVWZZAMBRB-UHFFFAOYSA-N -1 0 342.322 3.772 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCCC[C@H]2[C@H]2CCCCC2=O)s1 ZINC000833309759 601630743 /nfs/dbraw/zinc/63/07/43/601630743.db2.gz LSHRKQNZLAMAQT-OLZOCXBDSA-N -1 0 349.452 3.590 20 0 EHADRM O=Cc1cc(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])cs1 ZINC000833358402 601632249 /nfs/dbraw/zinc/63/22/49/601632249.db2.gz ATFWMPQMUATMCU-UHFFFAOYSA-N -1 0 325.345 3.664 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CN1CCO[C@H](c2ccccc2C)C1 ZINC000570169495 601642666 /nfs/dbraw/zinc/64/26/66/601642666.db2.gz WWUGXSKOOULLSL-INIZCTEOSA-N -1 0 331.437 3.637 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NCc1coc(-c2ccccc2)n1)c1ccccc1 ZINC000426714057 601652236 /nfs/dbraw/zinc/65/22/36/601652236.db2.gz BLADMSXWUUNNGZ-RDTXWAMCSA-N -1 0 336.391 3.893 20 0 EHADRM CC1CC(NC(=O)c2ccccc2SCc2occc2C(=O)[O-])C1 ZINC000262135058 601663079 /nfs/dbraw/zinc/66/30/79/601663079.db2.gz MTHVWXROTBVWPC-UHFFFAOYSA-N -1 0 345.420 3.798 20 0 EHADRM CC(C)Sc1ccc([C@@H](C)NC(=O)NCC(C)(C)C(=O)[O-])cc1 ZINC000827072848 601671075 /nfs/dbraw/zinc/67/10/75/601671075.db2.gz KDWYPQQVYLXWOF-GFCCVEGCSA-N -1 0 338.473 3.658 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000833311617 601674103 /nfs/dbraw/zinc/67/41/03/601674103.db2.gz WIDGGYZZIJLNHH-RKDXNWHRSA-N -1 0 335.347 3.545 20 0 EHADRM CC[C@@H](NC(=O)c1sc2cc(Cl)ccc2c1Cl)C(=O)[O-] ZINC000035096331 601675167 /nfs/dbraw/zinc/67/51/67/601675167.db2.gz FQVVNSAMYNSLQA-MRVPVSSYSA-N -1 0 332.208 3.801 20 0 EHADRM C[C@@H](CSc1ccc(F)cc1)C(=O)Oc1ccccc1CC(=O)[O-] ZINC000827582081 601680027 /nfs/dbraw/zinc/68/00/27/601680027.db2.gz XJXXKWNTVNUWPR-LBPRGKRZSA-N -1 0 348.395 3.787 20 0 EHADRM O=C([O-])c1occc1COC(=O)c1ccc2ccc(Cl)cc2n1 ZINC000833352887 601683246 /nfs/dbraw/zinc/68/32/46/601683246.db2.gz CLLGYVKEHGFCPD-UHFFFAOYSA-N -1 0 331.711 3.536 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@H](C)CSc1ccc(F)cc1 ZINC000262084539 601684323 /nfs/dbraw/zinc/68/43/23/601684323.db2.gz DYSVNHCPDUFCAC-GFCCVEGCSA-N -1 0 341.448 3.704 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)N2C[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000832905618 601697496 /nfs/dbraw/zinc/69/74/96/601697496.db2.gz DNAMGVBSLVPCRT-DOMZBBRYSA-N -1 0 329.421 3.516 20 0 EHADRM Cc1ccc2c(Cl)c(C(=O)NCC(C)(C)C(=O)[O-])sc2c1 ZINC000832961666 601705554 /nfs/dbraw/zinc/70/55/54/601705554.db2.gz IYKLCEKHNSLFEM-UHFFFAOYSA-N -1 0 325.817 3.704 20 0 EHADRM Cc1cc(NC(=O)N[C@@H](C)c2ccc(F)cc2F)ccc1C(=O)[O-] ZINC000738441236 601713281 /nfs/dbraw/zinc/71/32/81/601713281.db2.gz KIYWBHNAHQXRBE-JTQLQIEISA-N -1 0 334.322 3.854 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)[C@@H](C)Oc1ccc(C)cc1 ZINC000832953079 601720320 /nfs/dbraw/zinc/72/03/20/601720320.db2.gz KTUKVSSYCKODCX-LLVKDONJSA-N -1 0 334.393 3.574 20 0 EHADRM O=C([O-])c1ccc(COC(=O)C2(c3cccc(Cl)c3)CC2)cc1F ZINC000833313806 601724088 /nfs/dbraw/zinc/72/40/88/601724088.db2.gz AMNIJAPCNUZXRA-UHFFFAOYSA-N -1 0 348.757 3.952 20 0 EHADRM Cc1ccc(NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])c(C)n1 ZINC000832947848 601739896 /nfs/dbraw/zinc/73/98/96/601739896.db2.gz FRZQCLDQLHKCRE-GFCCVEGCSA-N -1 0 330.409 3.516 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC000828900191 601747829 /nfs/dbraw/zinc/74/78/29/601747829.db2.gz DXOBJUPBWBWZDY-CQSZACIVSA-N -1 0 346.452 3.758 20 0 EHADRM CC(C)(CNC(=O)Nc1ccccc1Cc1ccccc1)C(=O)[O-] ZINC000325338187 601750136 /nfs/dbraw/zinc/75/01/36/601750136.db2.gz BQKZPRALFYZNOT-UHFFFAOYSA-N -1 0 326.396 3.510 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc(Cl)sc1Cl)C1CCCCC1 ZINC000236447923 601752399 /nfs/dbraw/zinc/75/23/99/601752399.db2.gz MXHRZVXEJUTJSJ-SNVBAGLBSA-N -1 0 336.240 3.818 20 0 EHADRM CC[C@H](NC(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1)C(=O)[O-] ZINC000828914981 601753996 /nfs/dbraw/zinc/75/39/96/601753996.db2.gz UBQOKJVTKJQUOS-HOTGVXAUSA-N -1 0 347.411 3.639 20 0 EHADRM CC(C)CC1(CNC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)CC1 ZINC000826827103 601756182 /nfs/dbraw/zinc/75/61/82/601756182.db2.gz ZMRFKIQUURAIHX-UHFFFAOYSA-N -1 0 333.432 3.744 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CC[C@H](c3ccc(F)cc3)C2)cc1 ZINC000833320466 601778643 /nfs/dbraw/zinc/77/86/43/601778643.db2.gz XJXHCHNVLOHDMT-AWEZNQCLSA-N -1 0 328.343 3.545 20 0 EHADRM Cc1cc(F)ccc1CCNC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000325266449 601779526 /nfs/dbraw/zinc/77/95/26/601779526.db2.gz ZKVQRNXBVSSDNZ-UHFFFAOYSA-N -1 0 330.359 3.505 20 0 EHADRM Cc1nn(Cc2coc(-c3cccc(F)c3)n2)c(C)c1[C@@H](C)C(=O)[O-] ZINC000833021815 601779640 /nfs/dbraw/zinc/77/96/40/601779640.db2.gz VZDRPVOHTRSAFH-SNVBAGLBSA-N -1 0 343.358 3.530 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(OC3CCCCC3)cc2)C[C@H]1C(=O)[O-] ZINC000828378587 601793301 /nfs/dbraw/zinc/79/33/01/601793301.db2.gz RZIASILQCVPBOQ-CXAGYDPISA-N -1 0 346.427 3.583 20 0 EHADRM Cc1sc(NC(=O)c2ccc(-n3cccc3)nc2)c(C(=O)[O-])c1C ZINC000833037069 601800590 /nfs/dbraw/zinc/80/05/90/601800590.db2.gz UYKYWTKFLHFOFA-UHFFFAOYSA-N -1 0 341.392 3.501 20 0 EHADRM C[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)[O-])c1ccc2ccccc2c1 ZINC000194925884 601802913 /nfs/dbraw/zinc/80/29/13/601802913.db2.gz IIVQVYYGBINGPA-FOIQADDNSA-N -1 0 347.414 3.755 20 0 EHADRM CCn1c(SCc2ccsc2C(=O)[O-])nnc1-c1ccco1 ZINC000830416478 601803766 /nfs/dbraw/zinc/80/37/66/601803766.db2.gz XFOXJPOMYYYOGV-UHFFFAOYSA-N -1 0 335.410 3.610 20 0 EHADRM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000828251554 601807914 /nfs/dbraw/zinc/80/79/14/601807914.db2.gz KWNSXOBVGQLMHQ-ZWNOBZJWSA-N -1 0 337.441 3.858 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)Cc2csc3ccccc23)CC1 ZINC000540781371 601814408 /nfs/dbraw/zinc/81/44/08/601814408.db2.gz GIKNQEPXHOPBHA-UHFFFAOYSA-N -1 0 331.437 3.547 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)N3CCC(CCC(=O)[O-])CC3)cc2C1 ZINC000321514775 601816219 /nfs/dbraw/zinc/81/62/19/601816219.db2.gz WPIKXHAEQWJPMH-GFCCVEGCSA-N -1 0 335.469 3.590 20 0 EHADRM C/C(=C/C(=O)N1CCC(CCC(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000825717301 601818482 /nfs/dbraw/zinc/81/84/82/601818482.db2.gz WENODTFJDMFJMV-QBFSEMIESA-N -1 0 335.831 3.847 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N3CCC(CCC(=O)[O-])CC3)cc2c1C ZINC000539685937 601821148 /nfs/dbraw/zinc/82/11/48/601821148.db2.gz YJSJRUJBUOCZAD-UHFFFAOYSA-N -1 0 328.412 3.502 20 0 EHADRM CCC(CC)[C@H](NC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)c1cccs1 ZINC000828854565 601821811 /nfs/dbraw/zinc/82/18/11/601821811.db2.gz LFXZLDVYMBWKDF-KYOSRNDESA-N -1 0 338.473 3.588 20 0 EHADRM CC(C)[C@@H](CNC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccccc1 ZINC000659394096 601824735 /nfs/dbraw/zinc/82/47/35/601824735.db2.gz NGNHGSJQXBSGDT-GOSISDBHSA-N -1 0 346.471 3.713 20 0 EHADRM Cc1cccc(NC(=O)CSCc2ccc(C(=O)[O-])s2)c1C ZINC000832971112 601847117 /nfs/dbraw/zinc/84/71/17/601847117.db2.gz QLFDDCCVSJIGKM-UHFFFAOYSA-N -1 0 335.450 3.935 20 0 EHADRM Cc1ccc(-c2cncc(C(=O)NC3(C(=O)[O-])CCCCC3)c2)cc1 ZINC000772857975 601847474 /nfs/dbraw/zinc/84/74/74/601847474.db2.gz LBPRKRZUXHVBJK-UHFFFAOYSA-N -1 0 338.407 3.574 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1cc(F)c(C)cc1F ZINC000831975958 601847486 /nfs/dbraw/zinc/84/74/86/601847486.db2.gz JCPJHMDCJXSBRX-GQCTYLIASA-N -1 0 348.301 3.599 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1cncc(-c2ccccc2)c1 ZINC000833324396 601847661 /nfs/dbraw/zinc/84/76/61/601847661.db2.gz CKLDJVPJMPWEGZ-UHFFFAOYSA-N -1 0 344.370 3.650 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)C1CCC(NC(=O)[O-])CC1 ZINC000740051005 601866431 /nfs/dbraw/zinc/86/64/31/601866431.db2.gz XFSQZTMWOPHZAL-HSBZDZAISA-N -1 0 344.411 3.745 20 0 EHADRM CC(C)(C)[C@H](NC(=O)C1CCC(NC(=O)[O-])CC1)c1ccccc1 ZINC000738676469 601869342 /nfs/dbraw/zinc/86/93/42/601869342.db2.gz RDDJENKELRZLQY-UYSNPLJNSA-N -1 0 332.444 3.716 20 0 EHADRM COc1c(C)cc(CN(C)C(=O)c2cccc(NC(=O)[O-])c2)cc1C ZINC000737840245 601890979 /nfs/dbraw/zinc/89/09/79/601890979.db2.gz VQMLXZDWTZIHDX-UHFFFAOYSA-N -1 0 342.395 3.674 20 0 EHADRM CC(C)N(C(=O)COc1cc(Cl)ccc1C(=O)[O-])C1CCCC1 ZINC000826924322 601898464 /nfs/dbraw/zinc/89/84/64/601898464.db2.gz BDYZTYQNYQUULK-UHFFFAOYSA-N -1 0 339.819 3.597 20 0 EHADRM CSc1ccc(C)c(C(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])c1 ZINC000538513289 601898696 /nfs/dbraw/zinc/89/86/96/601898696.db2.gz CIOVIJODNXOCGF-GDBMZVCRSA-N -1 0 335.469 3.870 20 0 EHADRM C[C@H]1CCCC[C@H]1N(C)C(=O)CSCc1ccc(C(=O)[O-])s1 ZINC000828245761 601911750 /nfs/dbraw/zinc/91/17/50/601911750.db2.gz NQOHXYUOOZCYPW-WCQYABFASA-N -1 0 341.498 3.717 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC000532254365 601921034 /nfs/dbraw/zinc/92/10/34/601921034.db2.gz KPKSKYUUEDRFNI-OALUTQOASA-N -1 0 337.419 3.928 20 0 EHADRM Cc1occc1C(=O)O[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000833030561 601933376 /nfs/dbraw/zinc/93/33/76/601933376.db2.gz YZGPFBWPEPEVRS-LBPRGKRZSA-N -1 0 329.135 3.878 20 0 EHADRM Cn1c2ccccc2nc1[C@H]1CCCN1Cc1ccc(C(=O)[O-])s1 ZINC000565721088 601961294 /nfs/dbraw/zinc/96/12/94/601961294.db2.gz LWPDVAILFOODGX-OAHLLOKOSA-N -1 0 341.436 3.670 20 0 EHADRM Cc1ccnc(NC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000832984360 601980274 /nfs/dbraw/zinc/98/02/74/601980274.db2.gz RSYWBJBHTDMBLY-UHFFFAOYSA-N -1 0 339.273 3.751 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)CCCOc2ccccc2Cl)cn1 ZINC000740708598 601991551 /nfs/dbraw/zinc/99/15/51/601991551.db2.gz IXQQJCHOKVVTBA-UHFFFAOYSA-N -1 0 349.774 3.623 20 0 EHADRM CN(CC(C)(C)C)C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000830702070 601994541 /nfs/dbraw/zinc/99/45/41/601994541.db2.gz LCJMJLZIRSSUKT-UHFFFAOYSA-N -1 0 332.322 3.913 20 0 EHADRM CC[C@@H]1CCCN1C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000829125576 601995693 /nfs/dbraw/zinc/99/56/93/601995693.db2.gz NGEXOXICPBPFIG-GFCCVEGCSA-N -1 0 330.306 3.810 20 0 EHADRM O=C([O-])c1ccc(COC(=O)CSc2ccc(F)c(F)c2)s1 ZINC000833116062 602001418 /nfs/dbraw/zinc/00/14/18/602001418.db2.gz RIEDMWQFQJKZBQ-UHFFFAOYSA-N -1 0 344.360 3.560 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@H]1CCSc2ccccc21 ZINC000833224700 602023305 /nfs/dbraw/zinc/02/33/05/602023305.db2.gz RRAFOSBISZOPFC-HNNXBMFYSA-N -1 0 335.469 3.807 20 0 EHADRM Cc1ccc(Br)c(C(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000161397573 602024162 /nfs/dbraw/zinc/02/41/62/602024162.db2.gz QYTNMYRFMMVBEG-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM CC(C)COc1ccccc1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000826905718 602034098 /nfs/dbraw/zinc/03/40/98/602034098.db2.gz PFHUAGYDVFMVBS-UHFFFAOYSA-N -1 0 342.395 3.741 20 0 EHADRM CCOc1ccc(NC(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])c(C)c1 ZINC000830085110 602034913 /nfs/dbraw/zinc/03/49/13/602034913.db2.gz OCORXUNJXIFWSD-RDJZCZTQSA-N -1 0 348.443 3.939 20 0 EHADRM O=C([O-])Nc1cc(C(=O)OCc2nccs2)cc(C(F)(F)F)c1 ZINC000833284280 602035247 /nfs/dbraw/zinc/03/52/47/602035247.db2.gz STVVOTHDEXNJDG-UHFFFAOYSA-N -1 0 346.286 3.609 20 0 EHADRM O=C(/C=C\SCc1ccco1)N[C@@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000776681425 602049878 /nfs/dbraw/zinc/04/98/78/602049878.db2.gz FVTWOWVNYYBYKS-RQFGCTGCSA-N -1 0 337.441 3.566 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)c1[nH]c2ccccc2c1Cl ZINC000262134129 602049883 /nfs/dbraw/zinc/04/98/83/602049883.db2.gz QYZQXVRJHYSCJK-TZMCWYRMSA-N -1 0 348.830 3.975 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)c1 ZINC000238148016 602067239 /nfs/dbraw/zinc/06/72/39/602067239.db2.gz BOZXMEVEYPSVTB-RXVVDRJESA-N -1 0 335.403 3.546 20 0 EHADRM CCCCC[C@@H](NC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccccc1 ZINC000829327105 602068031 /nfs/dbraw/zinc/06/80/31/602068031.db2.gz ULVQCJGGMOVVPA-VQIMIIECSA-N -1 0 332.444 3.814 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000261911651 602068788 /nfs/dbraw/zinc/06/87/88/602068788.db2.gz QHGHRAIDDYDBPH-NWDGAFQWSA-N -1 0 329.318 3.621 20 0 EHADRM Cc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)cn1 ZINC000832919210 602083119 /nfs/dbraw/zinc/08/31/19/602083119.db2.gz XUPJQPCNBIFHTK-CYBMUJFWSA-N -1 0 340.162 3.680 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)NCCCCCCCC(=O)[O-] ZINC000828185602 602093317 /nfs/dbraw/zinc/09/33/17/602093317.db2.gz ZJXCLGKPZHFYGW-WMZOPIPTSA-N -1 0 346.471 3.999 20 0 EHADRM Cc1cc(C=Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cnc1Cl ZINC000832880610 602099354 /nfs/dbraw/zinc/09/93/54/602099354.db2.gz DXONTEODULLZBC-GORDUTHDSA-N -1 0 341.754 3.561 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)CO2 ZINC000832961867 602104826 /nfs/dbraw/zinc/10/48/26/602104826.db2.gz MQSOLSVJYCEWAO-AWEZNQCLSA-N -1 0 346.770 3.602 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000237394924 602107665 /nfs/dbraw/zinc/10/76/65/602107665.db2.gz SSIGWEWCTGLWNX-OCCSQVGLSA-N -1 0 339.457 3.508 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000829009359 602109177 /nfs/dbraw/zinc/10/91/77/602109177.db2.gz CGVWKZSCRXFULQ-HNNXBMFYSA-N -1 0 341.354 3.729 20 0 EHADRM O=C([O-])c1csc(NS(=O)(=O)/C=C/c2ccccc2Cl)c1 ZINC000833343819 602116575 /nfs/dbraw/zinc/11/65/75/602116575.db2.gz QVBUJIFCPLHAAK-AATRIKPKSA-N -1 0 343.813 3.512 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000827309714 602119408 /nfs/dbraw/zinc/11/94/08/602119408.db2.gz CITREKRDUWAOHW-SNVBAGLBSA-N -1 0 325.792 3.711 20 0 EHADRM O=C([O-])c1cc(Br)ccc1OCc1ccc(Cl)nc1 ZINC000833296153 602125766 /nfs/dbraw/zinc/12/57/66/602125766.db2.gz UUZPPKDLUPYYLK-UHFFFAOYSA-N -1 0 342.576 3.775 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NCc2nnc(-c3ccccc3)o2)cc1 ZINC000826127152 602128041 /nfs/dbraw/zinc/12/80/41/602128041.db2.gz OSOJMCNPFMJJPP-UHFFFAOYSA-N -1 0 337.379 3.711 20 0 EHADRM O=C([O-])Nc1cc(NCc2nnc(-c3cccc(F)c3)o2)ccc1F ZINC000833282151 602129414 /nfs/dbraw/zinc/12/94/14/602129414.db2.gz DGORKZGPIYDCJF-UHFFFAOYSA-N -1 0 346.293 3.717 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)Nc1cccc(CO[C@H]2CCC[C@@H](C)C2)c1 ZINC000828246340 602129718 /nfs/dbraw/zinc/12/97/18/602129718.db2.gz UVJXCBNWURGKQA-CPUCHLNUSA-N -1 0 333.428 3.831 20 0 EHADRM Cc1cc(Cl)cc(C(=O)N(CCC(=O)[O-])c2cccc(F)c2)c1 ZINC000832885945 602130365 /nfs/dbraw/zinc/13/03/65/602130365.db2.gz SCLHIEIWLFWRKD-UHFFFAOYSA-N -1 0 335.762 3.909 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000827873216 602149837 /nfs/dbraw/zinc/14/98/37/602149837.db2.gz FPAWWNFMMWNSRF-AWEZNQCLSA-N -1 0 348.443 3.863 20 0 EHADRM Cc1cc(C)c(-c2csc(NC(=O)[C@H](C)CC(=O)[O-])n2)c(C)c1 ZINC000832875077 602154709 /nfs/dbraw/zinc/15/47/09/602154709.db2.gz ROUJIBRUVGINBB-GFCCVEGCSA-N -1 0 332.425 3.785 20 0 EHADRM CCO[C@H](CC(=O)Nc1scc(C2CC2)c1C(=O)[O-])C(C)C ZINC000829912405 602165646 /nfs/dbraw/zinc/16/56/46/602165646.db2.gz JYXTZVZFBHWFID-GFCCVEGCSA-N -1 0 325.430 3.713 20 0 EHADRM CC(C)Oc1ccccc1CC(=O)Nc1ccccc1NC(=O)[O-] ZINC000738869404 602174040 /nfs/dbraw/zinc/17/40/40/602174040.db2.gz YTNHGHUIYMXJBX-UHFFFAOYSA-N -1 0 328.368 3.745 20 0 EHADRM COc1ccc(OCCCC(=O)Nc2ccccc2NC(=O)[O-])cc1 ZINC000739927936 602178532 /nfs/dbraw/zinc/17/85/32/602178532.db2.gz BRVPJKZCKGCXIO-UHFFFAOYSA-N -1 0 344.367 3.583 20 0 EHADRM Cc1cc(OCC(=O)Nc2ccccc2NC(=O)[O-])ccc1Cl ZINC000740088977 602179961 /nfs/dbraw/zinc/17/99/61/602179961.db2.gz KUGVDCPMGOPTTF-UHFFFAOYSA-N -1 0 334.759 3.756 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2cc(Br)cs2)c1 ZINC000191349825 602180309 /nfs/dbraw/zinc/18/03/09/602180309.db2.gz ILVDSZRKPILZEQ-UHFFFAOYSA-N -1 0 332.200 3.523 20 0 EHADRM COc1ccc(C(C)(C)C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000678980419 602182689 /nfs/dbraw/zinc/18/26/89/602182689.db2.gz YYSZLZFIKURRTO-UHFFFAOYSA-N -1 0 347.798 3.963 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2cnn(-c3ccccc3Cl)c2)c1 ZINC000569547588 602189201 /nfs/dbraw/zinc/18/92/01/602189201.db2.gz ZHQGUSKVZQLLKB-UHFFFAOYSA-N -1 0 347.783 3.538 20 0 EHADRM CC[C@@]1(C)CCN(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC000829050635 602193246 /nfs/dbraw/zinc/19/32/46/602193246.db2.gz UWRXIROFWIGZOX-IBGZPJMESA-N -1 0 345.443 3.639 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2cc(C(F)(F)F)ccc2F)CC1 ZINC000325573186 602193961 /nfs/dbraw/zinc/19/39/61/602193961.db2.gz ZQXVDWRUTXTZDU-UHFFFAOYSA-N -1 0 347.308 3.562 20 0 EHADRM CC(C)Sc1ccccc1NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC000345783336 602199055 /nfs/dbraw/zinc/19/90/55/602199055.db2.gz CLTZXKXGPNQARJ-UHFFFAOYSA-N -1 0 345.420 3.903 20 0 EHADRM O=C([O-])NCCC(=O)N[C@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000833279977 602201710 /nfs/dbraw/zinc/20/17/10/602201710.db2.gz LKKJJZREPZCEGW-INIZCTEOSA-N -1 0 338.835 3.735 20 0 EHADRM CC(C)CC[C@@H]1CCCCN1C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000663059820 602201743 /nfs/dbraw/zinc/20/17/43/602201743.db2.gz GAWCYCRXRJJVCB-INIZCTEOSA-N -1 0 333.428 3.581 20 0 EHADRM CCC[C@H]1C[C@H]1NC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000829257442 602227791 /nfs/dbraw/zinc/22/77/91/602227791.db2.gz ZGTYROURNGULSE-BLLLJJGKSA-N -1 0 342.395 3.613 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)c3ccc(C(F)F)cc3)ccc21 ZINC000740471695 602238293 /nfs/dbraw/zinc/23/82/93/602238293.db2.gz ZYDIZZQOEWXGSM-UHFFFAOYSA-N -1 0 332.306 3.917 20 0 EHADRM CCCC[C@@H](Sc1nnc(-c2ccc(F)cc2)n1CC)C(=O)[O-] ZINC000829296319 602239631 /nfs/dbraw/zinc/23/96/31/602239631.db2.gz QKHIBNKZMXQEBT-CYBMUJFWSA-N -1 0 337.420 3.840 20 0 EHADRM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCO[C@@H](c2ccsc2)C1 ZINC000576352657 602240464 /nfs/dbraw/zinc/24/04/64/602240464.db2.gz BMDKHFYIOZWHCS-CABCVRRESA-N -1 0 337.828 3.601 20 0 EHADRM C[C@@H](NC(=O)[C@@H](Sc1ccccc1Cl)c1ccccc1)C(=O)[O-] ZINC000237337079 602242412 /nfs/dbraw/zinc/24/24/12/602242412.db2.gz WQEKMVIOOUVWPL-ABAIWWIYSA-N -1 0 349.839 3.763 20 0 EHADRM CC(=O)c1cccc(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])c1 ZINC000825960844 602246632 /nfs/dbraw/zinc/24/66/32/602246632.db2.gz QNDRAGLMVWTBND-UHFFFAOYSA-N -1 0 333.343 3.993 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000832958430 602249472 /nfs/dbraw/zinc/24/94/72/602249472.db2.gz DWSYPJVQDGMCPD-UHFFFAOYSA-N -1 0 334.375 3.639 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)OC(c1ccccc1F)c1ccccc1F ZINC000827333245 602266283 /nfs/dbraw/zinc/26/62/83/602266283.db2.gz IPTPVKYMDHWOKU-NSHDSACASA-N -1 0 334.318 3.708 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)[C@@H](C)COc1ccccc1 ZINC000833032423 602271876 /nfs/dbraw/zinc/27/18/76/602271876.db2.gz ZPWIKPCFLZUOSA-NSHDSACASA-N -1 0 334.393 3.513 20 0 EHADRM CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)[C@@H](C)CC(=O)[O-] ZINC000827334659 602272635 /nfs/dbraw/zinc/27/26/35/602272635.db2.gz UPBUFRRJLXMIPZ-ZDUSSCGKSA-N -1 0 349.427 3.526 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])c1ccccc1 ZINC000739268279 602278026 /nfs/dbraw/zinc/27/80/26/602278026.db2.gz QCIZZLUIMFBSBW-INIZCTEOSA-N -1 0 339.395 4.000 20 0 EHADRM C[C@H](CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)c1ccncc1 ZINC000827241355 602290996 /nfs/dbraw/zinc/29/09/96/602290996.db2.gz WCPWKBYBEOFFKS-LLVKDONJSA-N -1 0 344.436 3.852 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)c2ccc(C)c(Cl)c2)c1 ZINC000739918309 602293001 /nfs/dbraw/zinc/29/30/01/602293001.db2.gz QIQIITQVWNCPMF-UHFFFAOYSA-N -1 0 334.759 3.999 20 0 EHADRM Cc1nc(C)c(C)c(NCc2c3ccccc3sc2C(=O)[O-])n1 ZINC000832994626 602317572 /nfs/dbraw/zinc/31/75/72/602317572.db2.gz OJPIDAULFUFJLM-UHFFFAOYSA-N -1 0 327.409 3.927 20 0 EHADRM Cc1ccc(CC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000832929171 602325176 /nfs/dbraw/zinc/32/51/76/602325176.db2.gz NBSYSHBJGAOWIC-UHFFFAOYSA-N -1 0 331.799 3.548 20 0 EHADRM O=C([O-])NC1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000740557368 602328955 /nfs/dbraw/zinc/32/89/55/602328955.db2.gz KVBMIVCOOWXCMN-UHFFFAOYSA-N -1 0 331.199 3.758 20 0 EHADRM C/C(=C/C(=O)N(C)c1ncc(C(=O)[O-])s1)c1cccc(Cl)c1 ZINC000825716660 602334405 /nfs/dbraw/zinc/33/44/05/602334405.db2.gz MTANOVPJDAFAJJ-TWGQIWQCSA-N -1 0 336.800 3.561 20 0 EHADRM Cc1c(C(=O)N(C)c2ncc(C(=O)[O-])s2)oc2c1c(C)ccc2C ZINC000832925041 602336662 /nfs/dbraw/zinc/33/66/62/602336662.db2.gz CIMKMVZNPDLPNI-UHFFFAOYSA-N -1 0 344.392 3.789 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)c2cnc(-c3ccco3)s2)c1 ZINC000740704499 602337114 /nfs/dbraw/zinc/33/71/14/602337114.db2.gz MZDHLAVSXQMKII-UHFFFAOYSA-N -1 0 347.327 3.884 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCSc2ccc(F)cc2)cc1F ZINC000323155412 602354335 /nfs/dbraw/zinc/35/43/35/602354335.db2.gz OYPISSHKVXRSCR-UHFFFAOYSA-N -1 0 337.347 3.784 20 0 EHADRM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000391502320 602355978 /nfs/dbraw/zinc/35/59/78/602355978.db2.gz XDBKPDDVKRMEGV-VIFPVBQESA-N -1 0 337.734 3.583 20 0 EHADRM O=C([O-])c1ccc(NC(=O)/C=C\c2ccc(Cl)s2)cc1F ZINC000313542472 602360362 /nfs/dbraw/zinc/36/03/62/602360362.db2.gz HXYWBVQLQKPQHT-UTCJRWHESA-N -1 0 325.748 3.891 20 0 EHADRM CC(C)[C@@H](CC(=O)N1CCC(CN(C)C(=O)[O-])CC1)c1ccccc1 ZINC000738776142 602364467 /nfs/dbraw/zinc/36/44/67/602364467.db2.gz UNIUYHBJFBHQNE-GOSISDBHSA-N -1 0 346.471 3.665 20 0 EHADRM COc1ccc(CNC(=O)Nc2cc(C)ccc2Cl)cc1C(=O)[O-] ZINC000832336269 602367516 /nfs/dbraw/zinc/36/75/16/602367516.db2.gz MQMJRAOFQHZUBM-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCc2cc3ccccc3o2)cc1F ZINC000833144285 602369589 /nfs/dbraw/zinc/36/95/89/602369589.db2.gz PQMLRSHMOWXAKA-UHFFFAOYSA-N -1 0 328.299 3.592 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCC(c3ccccc3)CC2)cc1F ZINC000833319964 602372538 /nfs/dbraw/zinc/37/25/38/602372538.db2.gz QFHWPPRVYCEELD-UHFFFAOYSA-N -1 0 342.370 3.935 20 0 EHADRM CN(Cc1ccccc1Cl)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000323238582 602375284 /nfs/dbraw/zinc/37/52/84/602375284.db2.gz QDCFNXCCRSSVQC-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N(Cc2ccc(F)cc2)C2CC2)cc1F ZINC000833319389 602379120 /nfs/dbraw/zinc/37/91/20/602379120.db2.gz UIIODIAPBFRWHE-UHFFFAOYSA-N -1 0 346.333 3.860 20 0 EHADRM CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000828901598 602379863 /nfs/dbraw/zinc/37/98/63/602379863.db2.gz XVHXAZCZVKIIKO-ZDUSSCGKSA-N -1 0 330.359 3.667 20 0 EHADRM Cc1ccc(CC[C@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)o1 ZINC000832930033 602380444 /nfs/dbraw/zinc/38/04/44/602380444.db2.gz JGXSLOYRRYCELY-JTQLQIEISA-N -1 0 334.347 3.568 20 0 EHADRM CC(C)N(CCCNC(=O)Nc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000738845675 602391372 /nfs/dbraw/zinc/39/13/72/602391372.db2.gz FICGKHWQKHGUQT-UHFFFAOYSA-N -1 0 347.337 3.605 20 0 EHADRM O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)CC1CCSCC1 ZINC000322201027 602396836 /nfs/dbraw/zinc/39/68/36/602396836.db2.gz SREUBVUKCPPHLK-UHFFFAOYSA-N -1 0 347.358 3.875 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc(-c2ccc(F)cc2)o1)C1CCCC1 ZINC000621573894 602399677 /nfs/dbraw/zinc/39/96/77/602399677.db2.gz UTJIZKYJIHWQKP-UHFFFAOYSA-N -1 0 331.343 3.555 20 0 EHADRM CC[C@H](CC(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccccc1 ZINC000739248435 602407854 /nfs/dbraw/zinc/40/78/54/602407854.db2.gz GIDBCXYMTJORLH-OAHLLOKOSA-N -1 0 326.396 3.977 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(C[C@H](C)c2ccccc2F)n1 ZINC000738817666 602408944 /nfs/dbraw/zinc/40/89/44/602408944.db2.gz RYDOPLMRULJFES-FZMZJTMJSA-N -1 0 335.379 3.910 20 0 EHADRM O=C([O-])NC1(c2noc(-c3cc(F)c(F)cc3Cl)n2)CCCC1 ZINC000740548157 602411517 /nfs/dbraw/zinc/41/15/17/602411517.db2.gz OBQHYBUAIIKSPW-UHFFFAOYSA-N -1 0 343.717 3.705 20 0 EHADRM Cc1cc(-c2nc(C3(NC(=O)[O-])CCCC3)no2)c2ccccc2n1 ZINC000740047686 602412889 /nfs/dbraw/zinc/41/28/89/602412889.db2.gz GMZOMNSGTNGJKX-UHFFFAOYSA-N -1 0 338.367 3.630 20 0 EHADRM O=C([O-])NC1(c2noc([C@H]3C[C@H]3c3ccc(F)c(F)c3)n2)CCCC1 ZINC000740547761 602413782 /nfs/dbraw/zinc/41/37/82/602413782.db2.gz BPBCTMZATODXFQ-QWRGUYRKSA-N -1 0 349.337 3.656 20 0 EHADRM CN(Cc1cccc(NC(=O)c2cccc(C(F)F)c2)c1)C(=O)[O-] ZINC000739714367 602432269 /nfs/dbraw/zinc/43/22/69/602432269.db2.gz SFEKHEBWFRJVDH-UHFFFAOYSA-N -1 0 334.322 3.986 20 0 EHADRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)Nc1ccccc1C(F)(F)F ZINC000738803873 602435654 /nfs/dbraw/zinc/43/56/54/602435654.db2.gz FLKNMSDXPAFTFY-SNVBAGLBSA-N -1 0 347.337 3.509 20 0 EHADRM CN(Cc1ccc(F)cc1)C(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000739709272 602454238 /nfs/dbraw/zinc/45/42/38/602454238.db2.gz FHEZPZMNKOJDNS-KRWDZBQOSA-N -1 0 344.386 3.573 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)N1CC[C@@H]1c1ccccc1)c1ccccc1 ZINC000740541557 602460196 /nfs/dbraw/zinc/46/01/96/602460196.db2.gz ZTPLUBONFBNZRR-ZWKOTPCHSA-N -1 0 338.407 3.749 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000739275738 602462230 /nfs/dbraw/zinc/46/22/30/602462230.db2.gz BEOWQJBQVFJJFX-CYBMUJFWSA-N -1 0 331.397 3.681 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2nc3ccccc3s2)ccc1F ZINC000740697397 602481325 /nfs/dbraw/zinc/48/13/25/602481325.db2.gz JNNKFZZIUZNORX-UHFFFAOYSA-N -1 0 331.328 3.778 20 0 EHADRM CC(C)N(Cc1ccccc1)C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000738853731 602482249 /nfs/dbraw/zinc/48/22/49/602482249.db2.gz SNOSZXARGHDUOJ-UHFFFAOYSA-N -1 0 330.359 3.966 20 0 EHADRM COc1cccc2c1N(C(=O)c1ccc(F)c(NC(=O)[O-])c1)CCC2 ZINC000739955594 602483986 /nfs/dbraw/zinc/48/39/86/602483986.db2.gz MBMRYKQQDCDWRX-UHFFFAOYSA-N -1 0 344.342 3.517 20 0 EHADRM Cn1ccc2c1cccc2NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000740294315 602488067 /nfs/dbraw/zinc/48/80/67/602488067.db2.gz UAFBXTHCKOGYGB-UHFFFAOYSA-N -1 0 327.315 3.660 20 0 EHADRM Cc1nc2ccc(C(=O)Nc3ccc(NC(=O)[O-])cc3)cc2nc1C ZINC000740228885 602500671 /nfs/dbraw/zinc/50/06/71/602500671.db2.gz DCTQUNRNURAHAT-UHFFFAOYSA-N -1 0 336.351 3.589 20 0 EHADRM Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000740274414 602500700 /nfs/dbraw/zinc/50/07/00/602500700.db2.gz YONXSNOQTYOBGQ-UHFFFAOYSA-N -1 0 337.335 3.992 20 0 EHADRM CC(C)CCSCC(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000738821073 602509070 /nfs/dbraw/zinc/50/90/70/602509070.db2.gz JFAJTXIPUCTIMY-UHFFFAOYSA-N -1 0 336.457 3.835 20 0 EHADRM CN(C)c1ccc([C@@H]2C[C@@H]2C(=O)Nc2ccccc2NC(=O)[O-])cc1 ZINC000739616427 602512462 /nfs/dbraw/zinc/51/24/62/602512462.db2.gz CCSDCTLNGXFHTA-GJZGRUSLSA-N -1 0 339.395 3.585 20 0 EHADRM CCCN(C(=O)c1cc2ccccc2s1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739343196 602512684 /nfs/dbraw/zinc/51/26/84/602512684.db2.gz CWGWIPVCOAJYMO-ZDUSSCGKSA-N -1 0 332.425 3.506 20 0 EHADRM C[C@H](NC(=O)CC1CCN(C(=O)[O-])CC1)c1cc2ccccc2s1 ZINC000738961905 602517939 /nfs/dbraw/zinc/51/79/39/602517939.db2.gz SCBDTVFZHZBIDR-LBPRGKRZSA-N -1 0 346.452 3.859 20 0 EHADRM CN(C(=O)[O-])C1CCN(C(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)CC1 ZINC000737929198 602521474 /nfs/dbraw/zinc/52/14/74/602521474.db2.gz OQNNUXBONLNSIB-ODNNXGBQSA-N -1 0 348.487 3.584 20 0 EHADRM C[C@H](NC(=O)[O-])C(=O)N[C@H](c1ccccc1)c1cccc2ccccc21 ZINC000738994167 602538011 /nfs/dbraw/zinc/53/80/11/602538011.db2.gz IATQFLLVKHNAPT-IFXJQAMLSA-N -1 0 348.402 3.702 20 0 EHADRM Cc1ccc(C(=O)COC(=O)c2ccc(F)c(NC(=O)[O-])c2)c(C)c1 ZINC000740105308 602549413 /nfs/dbraw/zinc/54/94/13/602549413.db2.gz YMBLRBZJERVSDL-UHFFFAOYSA-N -1 0 345.326 3.572 20 0 EHADRM O=C([O-])N[C@H](Cc1ccccc1)C(=O)Nc1ccc2ccccc2c1 ZINC000740693319 602563608 /nfs/dbraw/zinc/56/36/08/602563608.db2.gz UDHDPMXDFWRTQG-GOSISDBHSA-N -1 0 334.375 3.657 20 0 EHADRM CCN(Cc1cccc(NC(=O)c2ccc3[nH]ccc3c2)c1)C(=O)[O-] ZINC000739445828 602569400 /nfs/dbraw/zinc/56/94/00/602569400.db2.gz ITDGSVOITGBSNL-UHFFFAOYSA-N -1 0 337.379 3.920 20 0 EHADRM Cc1cccc2c1OCC[C@@H]2NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000740182054 602599730 /nfs/dbraw/zinc/59/97/30/602599730.db2.gz VJKISKBKNBVPNB-HNNXBMFYSA-N -1 0 341.367 3.730 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000740710708 602602080 /nfs/dbraw/zinc/60/20/80/602602080.db2.gz XSJKNYADGRAGOB-SECBINFHSA-N -1 0 331.294 3.583 20 0 EHADRM C[C@H]1Cc2ccccc2[C@H]1NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000736823156 602605972 /nfs/dbraw/zinc/60/59/72/602605972.db2.gz ARJOIRCFFAJRHP-ZBEGNZNMSA-N -1 0 325.368 3.832 20 0 EHADRM CCC(CC)[C@H](NC(=O)N(C)[C@@H](C)CNC(=O)[O-])c1cccs1 ZINC000739253657 602620496 /nfs/dbraw/zinc/62/04/96/602620496.db2.gz SIFKDFBQAIQDAM-FZMZJTMJSA-N -1 0 341.477 3.523 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)c1ccccc1Br ZINC000740715304 602626067 /nfs/dbraw/zinc/62/60/67/602626067.db2.gz JDNHRPHNKNHXQK-UHFFFAOYSA-N -1 0 335.157 3.791 20 0 EHADRM CCC(C)(C)NC(=O)CNc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000739216988 602645899 /nfs/dbraw/zinc/64/58/99/602645899.db2.gz ANNJOQPXDLSFKX-UHFFFAOYSA-N -1 0 347.337 3.512 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2nc(-c3ccsc3)ns2)cc1 ZINC000738663485 602695871 /nfs/dbraw/zinc/69/58/71/602695871.db2.gz HVQSSZIAJFUJBR-UHFFFAOYSA-N -1 0 346.393 3.609 20 0 EHADRM O=C([O-])NCc1cccc(OC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000740680790 602728061 /nfs/dbraw/zinc/72/80/61/602728061.db2.gz VFZFHDNEZJLRSX-NWDGAFQWSA-N -1 0 345.317 3.728 20 0 EHADRM Cc1nc2c(s1)[C@H](OC(=O)c1ccc(NC(=O)[O-])cc1)CCC2 ZINC000738366269 602748739 /nfs/dbraw/zinc/74/87/39/602748739.db2.gz XHCMRWBRTBKKTG-CYBMUJFWSA-N -1 0 332.381 3.776 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)N1CCC2(C1)CCCCC2)c1ccccc1 ZINC000740535854 602783433 /nfs/dbraw/zinc/78/34/33/602783433.db2.gz GAWIFGFAXXIMKB-QGZVFWFLSA-N -1 0 344.455 3.958 20 0 EHADRM CCN(c1ccc(NC(=O)CCC(C)(C)NC(=O)[O-])cc1)C(C)C ZINC000739450875 602783505 /nfs/dbraw/zinc/78/35/05/602783505.db2.gz AYNONNNVAUKRFL-UHFFFAOYSA-N -1 0 335.448 3.686 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)c2coc(-c3ccccc3)n2)c1 ZINC000740706062 602791287 /nfs/dbraw/zinc/79/12/87/602791287.db2.gz WXPPGBMHXKNJIT-UHFFFAOYSA-N -1 0 341.298 3.823 20 0 EHADRM Cc1ccc(C(=O)NCC(C)(C)c2ccccc2F)cc1NC(=O)[O-] ZINC000830210866 602793716 /nfs/dbraw/zinc/79/37/16/602793716.db2.gz FILAMHCHRBAFRK-UHFFFAOYSA-N -1 0 344.386 3.932 20 0 EHADRM C[C@H](C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-])c1ccsc1 ZINC000738628482 602802609 /nfs/dbraw/zinc/80/26/09/602802609.db2.gz FDCFKDGRWPDSKG-NSHDSACASA-N -1 0 330.409 3.921 20 0 EHADRM C[C@@H](C(=O)Nc1cccc2c1CCN(C(=O)[O-])C2)c1cccs1 ZINC000738638703 602807144 /nfs/dbraw/zinc/80/71/44/602807144.db2.gz OJZROBFWVOOYNK-LLVKDONJSA-N -1 0 330.409 3.526 20 0 EHADRM Cc1csc(-c2ccc(NC(=O)C[C@@H]3CCCN3C(=O)[O-])cc2)n1 ZINC000830654940 602809470 /nfs/dbraw/zinc/80/94/70/602809470.db2.gz CVDCTPFWVWZUBG-AWEZNQCLSA-N -1 0 345.424 3.590 20 0 EHADRM CN(Cc1nc(-c2ccc(Br)cc2)cs1)C(=O)[O-] ZINC000739715274 602810019 /nfs/dbraw/zinc/81/00/19/602810019.db2.gz DGGYLVHRUNKBIC-UHFFFAOYSA-N -1 0 327.203 3.682 20 0 EHADRM Cc1sc(CN(C)C(=O)[O-])nc1-c1ccc(Br)cc1 ZINC000740281390 602810829 /nfs/dbraw/zinc/81/08/29/602810829.db2.gz POPSFKGRRJFEPB-UHFFFAOYSA-N -1 0 341.230 3.991 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(CNC(=O)[O-])cc1)c1ccc(F)cc1F ZINC000739273613 602814711 /nfs/dbraw/zinc/81/47/11/602814711.db2.gz UQNNGBHARPQFDX-MRXNPFEDSA-N -1 0 348.349 3.614 20 0 EHADRM C[C@@H]1c2c(F)cccc2CCN1C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739205973 602816770 /nfs/dbraw/zinc/81/67/70/602816770.db2.gz IBWBMKQCTLFFOZ-SNVBAGLBSA-N -1 0 346.333 3.814 20 0 EHADRM CC(C)c1ccc(CN(C)C(=O)c2ccc(NC(=O)[O-])cc2O)cc1 ZINC000738884365 602840808 /nfs/dbraw/zinc/84/08/08/602840808.db2.gz VLGHONSKOZTBNE-UHFFFAOYSA-N -1 0 342.395 3.878 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@@H](c3cccc(F)c3)C2)cc1NC(=O)[O-] ZINC000830188771 602863852 /nfs/dbraw/zinc/86/38/52/602863852.db2.gz ZWWDUNTZDRHVRI-OAHLLOKOSA-N -1 0 342.370 3.854 20 0 EHADRM C[C@@H](NC(=O)C[C@H]1CCCN1C(=O)[O-])c1csc2ccccc21 ZINC000825109314 602870291 /nfs/dbraw/zinc/87/02/91/602870291.db2.gz UMOYVJLXSWJNRT-VXGBXAGGSA-N -1 0 332.425 3.611 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])c1cccc(F)c1 ZINC000738892459 602878242 /nfs/dbraw/zinc/87/82/42/602878242.db2.gz UQSYLHDRCUKYOB-LBPRGKRZSA-N -1 0 342.370 3.999 20 0 EHADRM C[C@H](C(=O)Nc1cccc(CNC(=O)[O-])c1)c1cccc(Cl)c1 ZINC000738630012 602899209 /nfs/dbraw/zinc/89/92/09/602899209.db2.gz IWIMYGROKATCDL-NSHDSACASA-N -1 0 332.787 3.850 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)OCc2ccnc(Cl)c2)c(Cl)c1 ZINC000740702192 602905970 /nfs/dbraw/zinc/90/59/70/602905970.db2.gz ULDILCHUZIPESJ-UHFFFAOYSA-N -1 0 341.150 3.835 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000740159125 602909744 /nfs/dbraw/zinc/90/97/44/602909744.db2.gz OBLWQBFCIXEZTP-HIFRSBDPSA-N -1 0 333.432 3.628 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCC[C@@H]1NC(=O)[O-])c1cc(Cl)ccc1Cl ZINC000738961051 602949981 /nfs/dbraw/zinc/94/99/81/602949981.db2.gz NXPCKLRQNURAEU-FWDPORAESA-N -1 0 345.226 3.607 20 0 EHADRM Cc1c(CSC(C)C)cccc1NC(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000738202608 602951929 /nfs/dbraw/zinc/95/19/29/602951929.db2.gz STPMZYQQCOYFGN-HNNXBMFYSA-N -1 0 338.473 3.867 20 0 EHADRM Cc1c(CSC(C)C)cccc1NC(=O)[C@H]1CCCN1C(=O)[O-] ZINC000740053449 602953217 /nfs/dbraw/zinc/95/32/17/602953217.db2.gz RJJVYZARLJTKGC-OAHLLOKOSA-N -1 0 336.457 3.718 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)CCC(=O)c2ccc(F)cc2F)cc1 ZINC000738665698 602958327 /nfs/dbraw/zinc/95/83/27/602958327.db2.gz ATLWIQQIHLBYHL-UHFFFAOYSA-N -1 0 349.289 3.623 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)OCCOC2CCCC2)c(Cl)c1 ZINC000740702221 602960899 /nfs/dbraw/zinc/96/08/99/602960899.db2.gz VRYCADILGKVKBL-UHFFFAOYSA-N -1 0 327.764 3.546 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000738668173 602961318 /nfs/dbraw/zinc/96/13/18/602961318.db2.gz XAYKMVJXYXUIHG-CHWSQXEVSA-N -1 0 333.290 3.764 20 0 EHADRM Cc1ccc(C(=O)N[C@H]2CSc3ccccc32)cc1NC(=O)[O-] ZINC000830211589 602961874 /nfs/dbraw/zinc/96/18/74/602961874.db2.gz UYFSAUYKVZNVMF-AWEZNQCLSA-N -1 0 328.393 3.662 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)cc1 ZINC000738667481 602965876 /nfs/dbraw/zinc/96/58/76/602965876.db2.gz PMLXIYCKMCZQLX-STQMWFEESA-N -1 0 333.290 3.764 20 0 EHADRM COc1ccc(S[C@@H](C)C(=O)Oc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738107719 602967962 /nfs/dbraw/zinc/96/79/62/602967962.db2.gz PNOPPYRLWZNSRZ-NSHDSACASA-N -1 0 347.392 3.871 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C2CC2)cc1NC(=O)[O-] ZINC000830203890 602968118 /nfs/dbraw/zinc/96/81/18/602968118.db2.gz BIBJDKFIKVIGAS-SFHVURJKSA-N -1 0 338.407 3.836 20 0 EHADRM CCN(C(=O)CC(C)(C)NC(=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000739377963 602968452 /nfs/dbraw/zinc/96/84/52/602968452.db2.gz OOFGAUPRCDVFPV-LBPRGKRZSA-N -1 0 332.400 3.779 20 0 EHADRM CCc1ccc([C@@H]2CCCCN2C(=O)c2ccc(CNC(=O)[O-])o2)o1 ZINC000827584403 602989370 /nfs/dbraw/zinc/98/93/70/602989370.db2.gz RINBOGGBAFSSDV-AWEZNQCLSA-N -1 0 346.383 3.570 20 0 EHADRM Cc1ccc(C(=O)N(C[C@@H]2CCCO2)C2CCCC2)cc1NC(=O)[O-] ZINC000830182375 603007797 /nfs/dbraw/zinc/00/77/97/603007797.db2.gz ZVKGVADAIRYLEA-INIZCTEOSA-N -1 0 346.427 3.649 20 0 EHADRM Cc1cccc(F)c1CNC(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000830505671 603018206 /nfs/dbraw/zinc/01/82/06/603018206.db2.gz LMXIDAYIIUJJHH-QGZVFWFLSA-N -1 0 344.386 3.539 20 0 EHADRM O=C([O-])N[C@@H](CNC(=O)c1ccc2ccccc2c1)c1ccccc1 ZINC000740536037 603022401 /nfs/dbraw/zinc/02/24/01/603022401.db2.gz OJPZRONHLXTALJ-SFHVURJKSA-N -1 0 334.375 3.579 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc(-c2csc(-c3ccccc3)n2)n1 ZINC000738910603 603022703 /nfs/dbraw/zinc/02/27/03/603022703.db2.gz SYQFJLLFTCDJLK-SNVBAGLBSA-N -1 0 344.396 3.573 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N[C@H]2CCc3cc(F)ccc32)c1 ZINC000740706991 603035547 /nfs/dbraw/zinc/03/55/47/603035547.db2.gz KROKRTPUNBXSLY-AWEZNQCLSA-N -1 0 347.321 3.864 20 0 EHADRM CN(CCc1ccc(F)cc1)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739704033 603036207 /nfs/dbraw/zinc/03/62/07/603036207.db2.gz FPGASTVSVUHRIB-UHFFFAOYSA-N -1 0 349.337 3.761 20 0 EHADRM CC(C)c1ncc(Cl)c(C(=O)Oc2ccc(N(C)C(=O)[O-])cc2)n1 ZINC000824495122 603039067 /nfs/dbraw/zinc/03/90/67/603039067.db2.gz GLNQFPOEXRZDSX-UHFFFAOYSA-N -1 0 349.774 3.587 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(-c2cc3cc(F)ccc3o2)n1 ZINC000738814244 603052840 /nfs/dbraw/zinc/05/28/40/603052840.db2.gz BCLDWQSBEFDEBB-NSHDSACASA-N -1 0 333.319 3.977 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(C[C@@H]2CCOc3ccccc32)n1 ZINC000738818199 603052941 /nfs/dbraw/zinc/05/29/41/603052941.db2.gz WUZMFMMDIQAIGQ-JSGCOSHPSA-N -1 0 345.399 3.533 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)C[C@@H]2CCc3ccccc32)cc1 ZINC000827908756 603054184 /nfs/dbraw/zinc/05/41/84/603054184.db2.gz RIRJZPHOAHSITN-AWEZNQCLSA-N -1 0 325.364 3.826 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)c2cnc3ccsc3c2)cc1 ZINC000827921705 603054342 /nfs/dbraw/zinc/05/43/42/603054342.db2.gz PXSAHSVOOUNGQY-UHFFFAOYSA-N -1 0 328.349 3.630 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)c2ncoc2-c2ccccc2)cc1 ZINC000827922031 603054579 /nfs/dbraw/zinc/05/45/79/603054579.db2.gz WQSHTGLEPZLENE-UHFFFAOYSA-N -1 0 338.319 3.675 20 0 EHADRM C[C@H](CNC(=O)c1cccc(NC(=O)[O-])c1)Sc1ccccc1 ZINC000824974400 603063181 /nfs/dbraw/zinc/06/31/81/603063181.db2.gz YAWUDJQFRXOWML-GFCCVEGCSA-N -1 0 330.409 3.687 20 0 EHADRM CC(C)(CCCc1ccccc1)C(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000738746515 603066156 /nfs/dbraw/zinc/06/61/56/603066156.db2.gz HPRQTKCTYXTMBT-UHFFFAOYSA-N -1 0 346.471 3.731 20 0 EHADRM CN(CCc1cccs1)C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000828341369 603088921 /nfs/dbraw/zinc/08/89/21/603088921.db2.gz MPWMBKURLXWHDV-MRXNPFEDSA-N -1 0 346.452 3.538 20 0 EHADRM CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000738770560 603100390 /nfs/dbraw/zinc/10/03/90/603100390.db2.gz XKDUMXBMQXILAJ-LLVKDONJSA-N -1 0 346.349 3.503 20 0 EHADRM C[C@@H]1CCN(C(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)c2ccccc2S1 ZINC000739114432 603159714 /nfs/dbraw/zinc/15/97/14/603159714.db2.gz WMQKMADNVRXXEV-RDBSUJKOSA-N -1 0 348.468 3.730 20 0 EHADRM C[C@@H](NC(=O)c1cccc(NC(=O)[O-])c1)c1nc2ccccc2s1 ZINC000736658299 603180395 /nfs/dbraw/zinc/18/03/95/603180395.db2.gz JCLAUKQJNYLPGC-SNVBAGLBSA-N -1 0 341.392 3.877 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)Cn2ccc3ccccc32)cc1 ZINC000825423822 603182702 /nfs/dbraw/zinc/18/27/02/603182702.db2.gz VKLOWILKHZZCQF-CYBMUJFWSA-N -1 0 337.379 3.609 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)CCOc2ccc(F)cc2)cc1 ZINC000825414940 603185846 /nfs/dbraw/zinc/18/58/46/603185846.db2.gz CFVZZAKQXFUUBT-GFCCVEGCSA-N -1 0 346.358 3.562 20 0 EHADRM CCOc1cccc(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)c1 ZINC000827448256 603186944 /nfs/dbraw/zinc/18/69/44/603186944.db2.gz KVUWWJXFVXXAOZ-LBPRGKRZSA-N -1 0 328.368 3.666 20 0 EHADRM Cc1cc(CNC(=O)c2ccc(NC(=O)[O-])cc2Cl)ccc1F ZINC000740078210 603210373 /nfs/dbraw/zinc/21/03/73/603210373.db2.gz ZPGVOSXVUXNBJR-UHFFFAOYSA-N -1 0 336.750 3.807 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N1CCc2ccccc21 ZINC000829172724 603216787 /nfs/dbraw/zinc/21/67/87/603216787.db2.gz AZRRHVCZPIBAAR-UHFFFAOYSA-N -1 0 346.770 3.641 20 0 EHADRM CCc1ccc([C@@H]2CCCCN2C(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)o1 ZINC000739540826 603217745 /nfs/dbraw/zinc/21/77/45/603217745.db2.gz BAARGVCUACYVDY-LZWOXQAQSA-N -1 0 348.443 3.722 20 0 EHADRM Cc1ccc(F)cc1NC(=O)[C@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000830332789 603218589 /nfs/dbraw/zinc/21/85/89/603218589.db2.gz CUQZSKZAPHNZDW-MLGOLLRUSA-N -1 0 330.359 3.718 20 0 EHADRM Cc1ccc(F)cc1NC(=O)[C@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000830332790 603218855 /nfs/dbraw/zinc/21/88/55/603218855.db2.gz CUQZSKZAPHNZDW-WBMJQRKESA-N -1 0 330.359 3.718 20 0 EHADRM Cc1cc(NC(=O)c2ccc(CNC(=O)[O-])cc2)ccc1OC(C)C ZINC000740087175 603223945 /nfs/dbraw/zinc/22/39/45/603223945.db2.gz SDNKLJUCVNLYNG-UHFFFAOYSA-N -1 0 342.395 3.802 20 0 EHADRM CCSCC[C@@H](C)NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000827503834 603226398 /nfs/dbraw/zinc/22/63/98/603226398.db2.gz NDFAJCVUQOQSDR-SECBINFHSA-N -1 0 330.837 3.691 20 0 EHADRM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739070150 603227497 /nfs/dbraw/zinc/22/74/97/603227497.db2.gz GUQFZKRIFHBCLJ-QAPCUYQASA-N -1 0 344.798 3.890 20 0 EHADRM CSc1cccc(NC(=O)NC[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000829772384 603245760 /nfs/dbraw/zinc/24/57/60/603245760.db2.gz VMZKZNNBWIFGHJ-HNNXBMFYSA-N -1 0 345.424 3.539 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)Nc2ccccc2SC(F)F)o1 ZINC000832704945 603258892 /nfs/dbraw/zinc/25/88/92/603258892.db2.gz AOOOMKVBPKKCAL-UHFFFAOYSA-N -1 0 342.323 3.614 20 0 EHADRM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(NC(=O)[O-])cc2)C12CCCC2 ZINC000737157760 603260702 /nfs/dbraw/zinc/26/07/02/603260702.db2.gz MUDBUILPZCANNI-CVEARBPZSA-N -1 0 346.427 3.586 20 0 EHADRM COc1ccc(NC(=O)N[C@@H](C)C2CCCCC2)cc1NC(=O)[O-] ZINC000829465516 603271499 /nfs/dbraw/zinc/27/14/99/603271499.db2.gz PVVLARANEITCJG-NSHDSACASA-N -1 0 335.404 3.875 20 0 EHADRM CCc1ccccc1NC(=O)[C@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000827598882 603279611 /nfs/dbraw/zinc/27/96/11/603279611.db2.gz AJLJQCMXLPUFNJ-CXAGYDPISA-N -1 0 326.396 3.833 20 0 EHADRM C[C@@H](NC(=O)[C@H](NC(=O)[O-])c1cccc(Cl)c1)c1ccccc1 ZINC000738953856 603306548 /nfs/dbraw/zinc/30/65/48/603306548.db2.gz SVXPTMDPVSLBFC-IAQYHMDHSA-N -1 0 332.787 3.526 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)N[C@@H]2C[C@H]2C2CCCCC2)c1 ZINC000832724846 603321325 /nfs/dbraw/zinc/32/13/25/603321325.db2.gz PSAHTFIKIAJBAR-JKSUJKDBSA-N -1 0 331.416 3.545 20 0 EHADRM CC(C)C[C@H]1CCCN1C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000738823667 603333459 /nfs/dbraw/zinc/33/34/59/603333459.db2.gz MSHHXKWOJGVLCL-OAHLLOKOSA-N -1 0 333.432 3.839 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N2CC[C@H](NC(=O)[O-])[C@@H](C)C2)cc1 ZINC000738877887 603350766 /nfs/dbraw/zinc/35/07/66/603350766.db2.gz PUEGIGUNRQGWEB-VKJFTORMSA-N -1 0 346.471 3.808 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cccc(CN(C)C(=O)[O-])c2)c2ccccc21 ZINC000739145066 603357979 /nfs/dbraw/zinc/35/79/79/603357979.db2.gz KWJNKBPIXBZWDF-ZDUSSCGKSA-N -1 0 339.395 3.952 20 0 EHADRM CCN(CCC(F)(F)F)C(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000739414176 603365143 /nfs/dbraw/zinc/36/51/43/603365143.db2.gz FPKRWEQYTGSJNW-UHFFFAOYSA-N -1 0 347.337 3.603 20 0 EHADRM Cc1ccc(C)c(NC(=S)NC[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000740115438 603378944 /nfs/dbraw/zinc/37/89/44/603378944.db2.gz JOPAOFDABICXRE-MRXNPFEDSA-N -1 0 343.452 3.599 20 0 EHADRM CCN(CC(=O)Nc1ccccc1Oc1cccc(F)c1)C(=O)[O-] ZINC000739404090 603383646 /nfs/dbraw/zinc/38/36/46/603383646.db2.gz ULUAWQFMVMLRJG-UHFFFAOYSA-N -1 0 332.331 3.556 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N2CCC3(CCCC3)C2)cc1 ZINC000825427032 603384010 /nfs/dbraw/zinc/38/40/10/603384010.db2.gz NROIQPYENAQMEF-CYBMUJFWSA-N -1 0 331.416 3.813 20 0 EHADRM C[C@H](C(=O)N(C)c1ccc(F)c(F)c1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823653410 603395326 /nfs/dbraw/zinc/39/53/26/603395326.db2.gz ALZCAIMMGJDADJ-ZBEGNZNMSA-N -1 0 348.349 3.573 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)c2cnc3ccsc3c2)c1 ZINC000739917268 603397599 /nfs/dbraw/zinc/39/75/99/603397599.db2.gz GFSUJTSPMXJSRQ-UHFFFAOYSA-N -1 0 343.364 3.647 20 0 EHADRM O=C([O-])NC[C@H](c1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 ZINC000832433010 603408275 /nfs/dbraw/zinc/40/82/75/603408275.db2.gz DXEMLAAYXUQEKD-AWEZNQCLSA-N -1 0 343.770 3.790 20 0 EHADRM CC(C)=CCOc1cccc(-c2nc(C3(NC(=O)[O-])CCC3)no2)c1 ZINC000824038811 603420353 /nfs/dbraw/zinc/42/03/53/603420353.db2.gz MXTOPEBPXZPZTG-UHFFFAOYSA-N -1 0 343.383 3.728 20 0 EHADRM C[C@H](CC(=O)Nc1cccc(CO[C@@H]2CCC[C@@H](C)C2)c1)NC(=O)[O-] ZINC000825889015 603427830 /nfs/dbraw/zinc/42/78/30/603427830.db2.gz SJYBENUGWPTMBF-CKEIUWERSA-N -1 0 348.443 3.767 20 0 EHADRM Cc1cc(CNC(=O)[O-])ccc1N(C(=O)Cc1ccsc1)C1CC1 ZINC000740074932 603429090 /nfs/dbraw/zinc/42/90/90/603429090.db2.gz BSNIJBJCNOOBLL-UHFFFAOYSA-N -1 0 344.436 3.562 20 0 EHADRM O=C([O-])N1CCCN(C(=O)[C@@H]2CCc3ccccc32)c2ccccc21 ZINC000740517643 603431596 /nfs/dbraw/zinc/43/15/96/603431596.db2.gz ZLKIMWZODOOKRD-MRXNPFEDSA-N -1 0 336.391 3.638 20 0 EHADRM C[C@@H](OC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)c1ccc(F)cc1Cl ZINC000829801932 603436111 /nfs/dbraw/zinc/43/61/11/603436111.db2.gz VOVLXQXDGVZICY-FXPVBKGRSA-N -1 0 329.755 3.520 20 0 EHADRM C[C@H](OC(=O)c1ccc(CNC(=O)[O-])o1)c1ccc(F)cc1Cl ZINC000829820915 603437551 /nfs/dbraw/zinc/43/75/51/603437551.db2.gz KWUIWAFYRVTXKL-QMMMGPOBSA-N -1 0 341.722 3.758 20 0 EHADRM CSc1ccc(NC(=O)C[C@@H](Cc2ccccc2)NC(=O)[O-])cc1 ZINC000829766068 603438161 /nfs/dbraw/zinc/43/81/61/603438161.db2.gz CYLJAQKGFKCSML-OAHLLOKOSA-N -1 0 344.436 3.616 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)c1cc(Cl)ccc1Cl ZINC000825083380 603459600 /nfs/dbraw/zinc/45/96/00/603459600.db2.gz PVKKQPGYBLWMAH-IQJOONFLSA-N -1 0 345.226 3.607 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)OCc1ccsc1 ZINC000829192709 603473107 /nfs/dbraw/zinc/47/31/07/603473107.db2.gz RLTIHQBSXYKRNS-UHFFFAOYSA-N -1 0 341.772 3.857 20 0 EHADRM CCCCc1ccc(C(=O)N(C)C2CCC(NC(=O)[O-])CC2)cc1 ZINC000826847199 603485157 /nfs/dbraw/zinc/48/51/57/603485157.db2.gz CIUQGCYYUILRJD-UHFFFAOYSA-N -1 0 332.444 3.680 20 0 EHADRM CC(C)N(C(=O)c1ccc2c(ccn2CCCNC(=O)[O-])c1)C(C)C ZINC000824324685 603511702 /nfs/dbraw/zinc/51/17/02/603511702.db2.gz ZHANOJQSIFMXRT-UHFFFAOYSA-N -1 0 345.443 3.558 20 0 EHADRM CCN(C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)[C@@H](C)c1cc2ccccc2o1 ZINC000826970203 603513685 /nfs/dbraw/zinc/51/36/85/603513685.db2.gz OTHVKMMXOZQAIG-CFVMTHIKSA-N -1 0 344.411 3.779 20 0 EHADRM Cc1cccc(C)c1NC(=O)C[C@@H](Cc1ccccc1)NC(=O)[O-] ZINC000830487337 603527469 /nfs/dbraw/zinc/52/74/69/603527469.db2.gz AHUYFFPUOYMUBH-MRXNPFEDSA-N -1 0 326.396 3.511 20 0 EHADRM CCC[C@@H](CC)NC(=O)c1cc(Cl)c(NC(=O)[O-])cc1OC ZINC000826733321 603532835 /nfs/dbraw/zinc/53/28/35/603532835.db2.gz BCWFXZHEEIRDKL-SECBINFHSA-N -1 0 328.796 3.747 20 0 EHADRM O=C([O-])N[C@H]1CC[C@H](C(=O)Nc2ccc3nc(C4CC4)sc3c2)C1 ZINC000832284281 603532861 /nfs/dbraw/zinc/53/28/61/603532861.db2.gz BFSZPAPFAVCCCN-QWRGUYRKSA-N -1 0 345.424 3.549 20 0 EHADRM O=C([O-])N[C@H]1CC[C@@H](C(=O)Nc2ccc(NC3CCCCC3)cc2)C1 ZINC000832287112 603542117 /nfs/dbraw/zinc/54/21/17/603542117.db2.gz MDKQEKDKJYVDBH-DYVFJYSZSA-N -1 0 345.443 3.806 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCC(c3cccc(F)c3)CC2)cc1 ZINC000832828654 603711246 /nfs/dbraw/zinc/71/12/46/603711246.db2.gz JSSVYEPFTTYGDQ-UHFFFAOYSA-N -1 0 342.370 3.935 20 0 EHADRM C[C@@H](CC(=O)Nc1ccccc1NC(=O)[O-])C(=O)c1cccc(F)c1 ZINC000824703820 603743818 /nfs/dbraw/zinc/74/38/18/603743818.db2.gz SAPLWIOVTNBYDP-NSHDSACASA-N -1 0 344.342 3.763 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)N1CCC(CN(CC)C(=O)[O-])CC1 ZINC000826582074 603753190 /nfs/dbraw/zinc/75/31/90/603753190.db2.gz VUBBWOVGGBMBAK-KRWDZBQOSA-N -1 0 338.492 3.831 20 0 EHADRM CC(C)Nc1ccc(F)cc1NC(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000824387255 603875600 /nfs/dbraw/zinc/87/56/00/603875600.db2.gz CJTIZSPEQLOFCC-UHFFFAOYSA-N -1 0 345.374 3.666 20 0 EHADRM Cc1ccc(C(=O)N[C@H]2COc3c2cccc3Cl)cc1NC(=O)[O-] ZINC000830211476 603887789 /nfs/dbraw/zinc/88/77/89/603887789.db2.gz RPJVBIMVTDPOHC-AWEZNQCLSA-N -1 0 346.770 3.602 20 0 EHADRM O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)N1CCCC[C@H]1c1ccco1)C2 ZINC000831298143 603899258 /nfs/dbraw/zinc/89/92/58/603899258.db2.gz CMRFZZNZJYXKOG-UYTSQGDYSA-N -1 0 346.427 3.644 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000832296852 603941786 /nfs/dbraw/zinc/94/17/86/603941786.db2.gz LTWHZKKHLFASCD-ZIAGYGMSSA-N -1 0 340.379 3.854 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000827508663 603973330 /nfs/dbraw/zinc/97/33/30/603973330.db2.gz PZKOFLJBIAQEKV-KOLCDFICSA-N -1 0 342.848 3.827 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2cccc3c2CCN3C(=O)[O-])o1 ZINC000830257068 603974797 /nfs/dbraw/zinc/97/47/97/603974797.db2.gz QNMJIXBTPIRMJP-NSHDSACASA-N -1 0 329.356 3.511 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)NC/C=C\c1ccccc1 ZINC000831659503 603994785 /nfs/dbraw/zinc/99/47/85/603994785.db2.gz IOQJXYVDAFZJAF-YVMONPNESA-N -1 0 337.379 3.562 20 0 EHADRM CSc1cccc(N(C)C(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1 ZINC000829772442 603995889 /nfs/dbraw/zinc/99/58/89/603995889.db2.gz WVSCKKIMKOVKLM-LQDVMPOASA-N -1 0 348.468 3.682 20 0 EHADRM CSc1ccncc1NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000829778281 604036753 /nfs/dbraw/zinc/03/67/53/604036753.db2.gz VWTZVXBGAAMOIL-UHFFFAOYSA-N -1 0 337.788 3.799 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CC(Cc3ccccc3Cl)C2)cc1 ZINC000832829645 604097489 /nfs/dbraw/zinc/09/74/89/604097489.db2.gz YGXRJLLBCJOXFM-UHFFFAOYSA-N -1 0 344.798 3.745 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)N3CCC[C@H]4CCC[C@@H]43)ccc21 ZINC000832080061 604135986 /nfs/dbraw/zinc/13/59/86/604135986.db2.gz QMFCDTPVHYRADM-DOMZBBRYSA-N -1 0 329.400 3.524 20 0 EHADRM Cc1cnc([C@@H](C)NC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)s1 ZINC000830625931 604148718 /nfs/dbraw/zinc/14/87/18/604148718.db2.gz WKLBXLUYBNWXMD-WDEREUQCSA-N -1 0 348.428 3.663 20 0 EHADRM CC(C)C[C@@H](C)OCCC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000824182072 604184749 /nfs/dbraw/zinc/18/47/49/604184749.db2.gz HJAMCCYNWVOSHC-CYBMUJFWSA-N -1 0 334.416 3.507 20 0 EHADRM Cn1cccc1[C@H]1CCCCCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000833055114 604272920 /nfs/dbraw/zinc/27/29/20/604272920.db2.gz CTXODKWTXLVKGG-QGZVFWFLSA-N -1 0 344.386 3.620 20 0 EHADRM Cc1ccccc1C[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000832981047 604274962 /nfs/dbraw/zinc/27/49/62/604274962.db2.gz VNVYYJQDMROWIP-MRXNPFEDSA-N -1 0 341.382 3.680 20 0 EHADRM CCN(C(=O)c1ccc(C(=O)[O-])c(F)c1)[C@H](C)c1ccc(F)cc1 ZINC000829601830 604278843 /nfs/dbraw/zinc/27/88/43/604278843.db2.gz ABXYBRAOTRNWIM-LLVKDONJSA-N -1 0 333.334 3.886 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)cc1F ZINC000833127917 604279505 /nfs/dbraw/zinc/27/95/05/604279505.db2.gz MPEHIMDCHGRBGI-KRWDZBQOSA-N -1 0 345.345 3.934 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccnn2C2CCCC2)cc1Cl ZINC000263247056 604280242 /nfs/dbraw/zinc/28/02/42/604280242.db2.gz IAZASVLZRFDJSB-UHFFFAOYSA-N -1 0 333.775 3.602 20 0 EHADRM CCN(C(=O)c1ccc(C(=O)[O-])c(F)c1)[C@@H](C)c1cccc(OC)c1 ZINC000829602692 604282981 /nfs/dbraw/zinc/28/29/81/604282981.db2.gz VQWSFSHSSJFCPA-LBPRGKRZSA-N -1 0 345.370 3.756 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(CNC(=S)Nc2ccccc2F)cc1 ZINC000825397482 604284413 /nfs/dbraw/zinc/28/44/13/604284413.db2.gz MKOQMFUXEWCNQG-NSHDSACASA-N -1 0 347.415 3.641 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])c(F)c2)[C@@H](c2ccco2)C1 ZINC000828285745 604295970 /nfs/dbraw/zinc/29/59/70/604295970.db2.gz PSDOWSLPGYXNGI-IAQYHMDHSA-N -1 0 331.343 3.730 20 0 EHADRM CC1(C)C[C@H](NC(=O)c2cccc(C(=O)[O-])c2)c2ccc(F)cc2O1 ZINC000345795131 604301445 /nfs/dbraw/zinc/30/14/45/604301445.db2.gz IKSPFGGPVFHTKC-HNNXBMFYSA-N -1 0 343.354 3.556 20 0 EHADRM COc1ccc(NC(=O)c2cccc(Cl)c2F)cc1NC(=O)[O-] ZINC000829474730 604305820 /nfs/dbraw/zinc/30/58/20/604305820.db2.gz NDRITPUIDJSBMU-UHFFFAOYSA-N -1 0 338.722 3.830 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2c(F)cccc2NC2CC2)cc1 ZINC000832838406 604309166 /nfs/dbraw/zinc/30/91/66/604309166.db2.gz IRUJKTITIQNKOC-UHFFFAOYSA-N -1 0 329.331 3.742 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(C)c(C(=O)[O-])c2)n1 ZINC000832967526 604352254 /nfs/dbraw/zinc/35/22/54/604352254.db2.gz GSMLSCXLKAVDFM-QGZVFWFLSA-N -1 0 339.395 3.766 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])c1cccnc1 ZINC000827226734 604373401 /nfs/dbraw/zinc/37/34/01/604373401.db2.gz PPTIHHZCKKRPLU-KSSFIOAISA-N -1 0 340.423 3.544 20 0 EHADRM C[C@@H](C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])c1cccc(F)c1 ZINC000825994839 604375784 /nfs/dbraw/zinc/37/57/84/604375784.db2.gz KRUUUXKMAIULHK-CXAGYDPISA-N -1 0 343.398 3.898 20 0 EHADRM COc1ccc(C(C)(C)C(=O)Nc2cc(C)c(C(=O)[O-])s2)cc1 ZINC000832216626 604376476 /nfs/dbraw/zinc/37/64/76/604376476.db2.gz DAZXNHSCZIAITB-UHFFFAOYSA-N -1 0 333.409 3.680 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)C(F)(F)c1ccccc1)c1ccccc1 ZINC000826081151 604379080 /nfs/dbraw/zinc/37/90/80/604379080.db2.gz LTHUGVUFWGGETA-OAHLLOKOSA-N -1 0 347.361 3.747 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)C(F)(F)c1ccccc1)c1ccccc1 ZINC000826081150 604379211 /nfs/dbraw/zinc/37/92/11/604379211.db2.gz LTHUGVUFWGGETA-HNNXBMFYSA-N -1 0 347.361 3.747 20 0 EHADRM Cc1cc([C@H](C)N(C)Cc2ccc(Br)o2)oc1C(=O)[O-] ZINC000584356702 604381430 /nfs/dbraw/zinc/38/14/30/604381430.db2.gz ZMIUWQHTGVGUOJ-VIFPVBQESA-N -1 0 342.189 3.835 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1cc2ccccc2[nH]1)c1ccccc1 ZINC000826103552 604385797 /nfs/dbraw/zinc/38/57/97/604385797.db2.gz SNEBSLAQVKETLT-KRWDZBQOSA-N -1 0 336.391 3.750 20 0 EHADRM CC(C)n1nccc1C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC000827207330 604385898 /nfs/dbraw/zinc/38/58/98/604385898.db2.gz QEQXIVBSFHFMHZ-UHFFFAOYSA-N -1 0 347.440 3.745 20 0 EHADRM CCc1cc(C(=O)N(c2ccccc2)[C@@H](CC)C(=O)[O-])oc1CC ZINC000830213957 604389889 /nfs/dbraw/zinc/38/98/89/604389889.db2.gz RNRVVDGUHHMTTA-HNNXBMFYSA-N -1 0 329.396 3.914 20 0 EHADRM Cc1ccccc1CCC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000832981016 604390576 /nfs/dbraw/zinc/39/05/76/604390576.db2.gz UVBWRJOGTTUZIV-LJQANCHMSA-N -1 0 339.435 3.896 20 0 EHADRM CSc1ccsc1C(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC000832790800 604396098 /nfs/dbraw/zinc/39/60/98/604396098.db2.gz UYNVMHUGSYXFBW-UHFFFAOYSA-N -1 0 349.477 3.977 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)/C=C\c1ccnc(Cl)c1 ZINC000833094449 604432298 /nfs/dbraw/zinc/43/22/98/604432298.db2.gz HSBSQANIJKJRMX-RJRFIUFISA-N -1 0 337.162 3.739 20 0 EHADRM C/C(=C\COC(=O)C[C@@H](C)c1ccc(Br)cc1)C(=O)[O-] ZINC000825758892 604435389 /nfs/dbraw/zinc/43/53/89/604435389.db2.gz RXGIODJVMJMMHC-PFEDMVJOSA-N -1 0 341.201 3.517 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)[C@@H](C)c2cccc(F)c2)cc1 ZINC000825372497 604446273 /nfs/dbraw/zinc/44/62/73/604446273.db2.gz NSWIJJFAOZJOSA-STQMWFEESA-N -1 0 344.386 3.574 20 0 EHADRM CC(C)(C)SCCCC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000833446444 604464205 /nfs/dbraw/zinc/46/42/05/604464205.db2.gz BJZWAXBTHGLKNC-MRXNPFEDSA-N -1 0 335.469 3.509 20 0 EHADRM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000828151750 604482130 /nfs/dbraw/zinc/48/21/30/604482130.db2.gz ZXQAPLIADUJKTI-TZMCWYRMSA-N -1 0 344.436 3.931 20 0 EHADRM CC[C@@H](NC(=O)Nc1cc(C(=O)[O-])cs1)c1ccc(OC)cc1 ZINC000828951334 604487382 /nfs/dbraw/zinc/48/73/82/604487382.db2.gz KQJBOTLXFVJQTH-CYBMUJFWSA-N -1 0 334.397 3.728 20 0 EHADRM CCCN(CCC)C(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC000833651329 604491765 /nfs/dbraw/zinc/49/17/65/604491765.db2.gz WVGPOKHDWIRORY-UHFFFAOYSA-N -1 0 344.415 3.533 20 0 EHADRM CC(C)(Oc1ccc(F)cc1)C(=O)OC1CCC(CC(=O)[O-])CC1 ZINC000833462378 604497834 /nfs/dbraw/zinc/49/78/34/604497834.db2.gz AALLVFIETMVGKV-UHFFFAOYSA-N -1 0 338.375 3.560 20 0 EHADRM CC(C)Oc1ccc(CCNC(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000827054647 604515723 /nfs/dbraw/zinc/51/57/23/604515723.db2.gz MRDJLDUYZJNFLK-UHFFFAOYSA-N -1 0 348.424 3.598 20 0 EHADRM O=C([O-])c1csc(NC(=O)N2CCSC3(CCCCC3)C2)c1 ZINC000833342913 604517177 /nfs/dbraw/zinc/51/71/77/604517177.db2.gz SKEMPRMAXRCECI-UHFFFAOYSA-N -1 0 340.470 3.730 20 0 EHADRM O=C([O-])c1csc(NC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000833342290 604517221 /nfs/dbraw/zinc/51/72/21/604517221.db2.gz JDYSPSVXFFUXGH-LLVKDONJSA-N -1 0 334.372 3.607 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@@H]1CC(=O)[O-])c1cccc(Cl)c1Cl ZINC000827652440 604519671 /nfs/dbraw/zinc/51/96/71/604519671.db2.gz FYQHAMDPKNCUBE-NXEZZACHSA-N -1 0 345.226 3.703 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2CCOc3c(C(=O)[O-])cccc32)s1 ZINC000833449896 604524662 /nfs/dbraw/zinc/52/46/62/604524662.db2.gz DHAXGUQQSSTMAU-UHFFFAOYSA-N -1 0 345.420 3.783 20 0 EHADRM C[C@@H]1CCCN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])[C@H]1C ZINC000828266123 604530024 /nfs/dbraw/zinc/53/00/24/604530024.db2.gz PNPCBFPJPDNJKS-YCPHGPKFSA-N -1 0 332.444 3.669 20 0 EHADRM O=C([O-])c1cccc(CNc2cccc3c2CN(c2ccccn2)C3)c1 ZINC000821552823 604536815 /nfs/dbraw/zinc/53/68/15/604536815.db2.gz VVKLUAIIIUHHGH-UHFFFAOYSA-N -1 0 345.402 3.912 20 0 EHADRM CCN(C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])[C@H](C)C(C)C ZINC000829597798 604536929 /nfs/dbraw/zinc/53/69/29/604536929.db2.gz UVDIOQMJGDXYHH-GDBMZVCRSA-N -1 0 334.460 3.915 20 0 EHADRM Cc1cc([C@H](C)OC(=O)CCCOc2ccccc2)oc1C(=O)[O-] ZINC000832876275 604540618 /nfs/dbraw/zinc/54/06/18/604540618.db2.gz QXUOWICZZYQHJQ-ZDUSSCGKSA-N -1 0 332.352 3.750 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2ccc3ncsc3c2)oc1C(=O)[O-] ZINC000832877459 604540645 /nfs/dbraw/zinc/54/06/45/604540645.db2.gz ZAVRDGZEZLSKTQ-VIFPVBQESA-N -1 0 331.349 3.814 20 0 EHADRM CC(C)c1ccc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])cn1 ZINC000827456509 604543318 /nfs/dbraw/zinc/54/33/18/604543318.db2.gz YORUXAJGTHFWFV-HNNXBMFYSA-N -1 0 340.423 3.568 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)COc2ccccc2Cl)oc1C(=O)[O-] ZINC000832871537 604544192 /nfs/dbraw/zinc/54/41/92/604544192.db2.gz IBKIFTLTIAQYBW-SNVBAGLBSA-N -1 0 338.743 3.623 20 0 EHADRM CCO[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(NC(=O)[O-])cc2)C12CCC2 ZINC000827378323 604548859 /nfs/dbraw/zinc/54/88/59/604548859.db2.gz GHCQPWBCYXLERW-LSDHHAIUSA-N -1 0 347.415 3.588 20 0 EHADRM Cc1cc([C@H](C)OC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)oc1C(=O)[O-] ZINC000832877540 604552952 /nfs/dbraw/zinc/55/29/52/604552952.db2.gz UKZHBRWSSPPIII-BPNCWPANSA-N -1 0 332.327 3.833 20 0 EHADRM CC(C)(C(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccc2ccccc2c1 ZINC000826080829 604559736 /nfs/dbraw/zinc/55/97/36/604559736.db2.gz GYQORIMSRRCJPU-QGZVFWFLSA-N -1 0 325.408 3.583 20 0 EHADRM C[C@@H](C(=O)N1CCC[C@H]1CC(=O)[O-])c1c(Cl)cccc1Cl ZINC000653646629 604561323 /nfs/dbraw/zinc/56/13/23/604561323.db2.gz JZOPNAZDTYOPHU-ZJUUUORDSA-N -1 0 330.211 3.563 20 0 EHADRM CC(C)[C@@H](C(=O)N1CCC(CCC(=O)[O-])CC1)c1ccc(F)cc1 ZINC000833467521 604564441 /nfs/dbraw/zinc/56/44/41/604564441.db2.gz XINJFLPGNUPPRH-GOSISDBHSA-N -1 0 335.419 3.669 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@H]2CC(=O)[O-])c(C)n1C1CCCCC1 ZINC000263025514 604566298 /nfs/dbraw/zinc/56/62/98/604566298.db2.gz UKAOYYATZAUWHX-INIZCTEOSA-N -1 0 332.444 3.689 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)Cn2ccc3ccccc32)oc1C(=O)[O-] ZINC000832870991 604570658 /nfs/dbraw/zinc/57/06/58/604570658.db2.gz FDBLTGVMFXZLAW-GFCCVEGCSA-N -1 0 327.336 3.545 20 0 EHADRM Cc1cc([C@H](C)OC(=O)Cc2cn(C)c3ccccc23)oc1C(=O)[O-] ZINC000832870678 604573231 /nfs/dbraw/zinc/57/32/31/604573231.db2.gz BQLYZOMDJDOOHE-LBPRGKRZSA-N -1 0 341.363 3.625 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000262907180 604575195 /nfs/dbraw/zinc/57/51/95/604575195.db2.gz JFOLPNVQPKNOGY-GFCCVEGCSA-N -1 0 344.238 3.782 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccncc1 ZINC000833459446 604580590 /nfs/dbraw/zinc/58/05/90/604580590.db2.gz WSUGISAELOSHLS-UHFFFAOYSA-N -1 0 347.802 3.533 20 0 EHADRM C[C@@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)[C@@H]1C ZINC000833614190 604581613 /nfs/dbraw/zinc/58/16/13/604581613.db2.gz KULLYOUTSBSGIJ-ZIAGYGMSSA-N -1 0 345.443 3.637 20 0 EHADRM C/C(=C/C(=O)N1CCC[C@H]1CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000825717057 604585323 /nfs/dbraw/zinc/58/53/23/604585323.db2.gz SBKAIAPAHNCFAG-FPAJZGIOSA-N -1 0 341.329 3.574 20 0 EHADRM Cc1cc([C@H](C)OC(=O)C2(c3ccccc3F)CC2)oc1C(=O)[O-] ZINC000832871254 604589152 /nfs/dbraw/zinc/58/91/52/604589152.db2.gz AHDWPKWHAIGTMV-NSHDSACASA-N -1 0 332.327 3.761 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2ccc(N3CC=CC3)cc2)oc1C(=O)[O-] ZINC000832873448 604592221 /nfs/dbraw/zinc/59/22/21/604592221.db2.gz CPNVVWSSQSTGEH-ZDUSSCGKSA-N -1 0 341.363 3.580 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)/C=C\SCc1ccco1 ZINC000833032060 604600709 /nfs/dbraw/zinc/60/07/09/604600709.db2.gz SBKBMJDRYBWYRZ-XQRVVYSFSA-N -1 0 338.406 3.838 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)Nc1cccc(-c2cccs2)c1 ZINC000833213334 604626457 /nfs/dbraw/zinc/62/64/57/604626457.db2.gz GXNARUISXFZNSS-CQSZACIVSA-N -1 0 330.409 3.886 20 0 EHADRM CCc1ccccc1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000830276770 604639873 /nfs/dbraw/zinc/63/98/73/604639873.db2.gz NLZXKWNOLASRJF-UHFFFAOYSA-N -1 0 338.407 3.800 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CNc1ccn(-c2ccccc2Cl)n1 ZINC000833025832 604643526 /nfs/dbraw/zinc/64/35/26/604643526.db2.gz SHGHZHFUDLLORI-UHFFFAOYSA-N -1 0 331.759 3.737 20 0 EHADRM CCc1ccc([C@H](C)NC(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC000262233278 604665883 /nfs/dbraw/zinc/66/58/83/604665883.db2.gz SQBCDQKVINKUCH-AWEZNQCLSA-N -1 0 325.408 3.757 20 0 EHADRM CN(Cc1csc(Nc2ccccc2)n1)C1(C(=O)[O-])CCCC1 ZINC000830869765 604667759 /nfs/dbraw/zinc/66/77/59/604667759.db2.gz IDFVDJGLUFBQKH-UHFFFAOYSA-N -1 0 331.441 3.716 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N[C@H](c1cccs1)C1CC1 ZINC000262090052 604676666 /nfs/dbraw/zinc/67/66/66/604676666.db2.gz CNKVDHMIKAQKOO-KRWDZBQOSA-N -1 0 329.421 3.646 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000262104650 604676671 /nfs/dbraw/zinc/67/66/71/604676671.db2.gz DWMQQKBTPJBDKL-STQMWFEESA-N -1 0 343.345 3.555 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000540774395 604678218 /nfs/dbraw/zinc/67/82/18/604678218.db2.gz MQENOSBNDSGAEZ-GFCCVEGCSA-N -1 0 331.799 3.800 20 0 EHADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000539676859 604680312 /nfs/dbraw/zinc/68/03/12/604680312.db2.gz NWSRPCNYZLOCNU-GFCCVEGCSA-N -1 0 331.799 3.800 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccc(F)cc1C(F)(F)F)c1ccccc1 ZINC000833351340 604694631 /nfs/dbraw/zinc/69/46/31/604694631.db2.gz QAVZNVNDMKTYJZ-ZDUSSCGKSA-N -1 0 342.244 3.827 20 0 EHADRM CN(C(=O)c1cc(F)c(Cl)cc1Cl)C1(C(=O)[O-])CCCC1 ZINC000387403803 604724190 /nfs/dbraw/zinc/72/41/90/604724190.db2.gz FHHVHPWPRFPEEA-UHFFFAOYSA-N -1 0 334.174 3.602 20 0 EHADRM Cc1cc(C)c(NC(=O)C[C@H](C)C2CCN(C(=O)[O-])CC2)c(C)c1 ZINC000829992032 604734992 /nfs/dbraw/zinc/73/49/92/604734992.db2.gz XYCIFXLSMFFILU-ZDUSSCGKSA-N -1 0 332.444 3.967 20 0 EHADRM C/C(=C\c1cccc(Cl)c1)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000833385886 604740229 /nfs/dbraw/zinc/74/02/29/604740229.db2.gz JHDBWRDWKQCLCV-KPKJPENVSA-N -1 0 341.794 3.984 20 0 EHADRM CC[C@H]1CN(C(=O)CCc2ccccc2C(=O)[O-])c2ccccc2O1 ZINC000833650181 604763673 /nfs/dbraw/zinc/76/36/73/604763673.db2.gz XVHKREKZXAOCQK-HNNXBMFYSA-N -1 0 339.391 3.522 20 0 EHADRM CC(C)(C(=O)Nc1cccc(C(=O)[O-])c1O)c1ccc(Cl)cc1 ZINC000833411517 604797627 /nfs/dbraw/zinc/79/76/27/604797627.db2.gz HQPVYBAQQVAEEE-UHFFFAOYSA-N -1 0 333.771 3.660 20 0 EHADRM N#Cc1cc(C(F)(F)F)ccc1NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000324988978 604799813 /nfs/dbraw/zinc/79/98/13/604799813.db2.gz UUHATGYVNDRKAF-CQSZACIVSA-N -1 0 334.297 3.857 20 0 EHADRM CCCCn1ncc(NC(=O)Nc2cc(C(=O)[O-])ccc2C)c1C ZINC000829446792 604805185 /nfs/dbraw/zinc/80/51/85/604805185.db2.gz GDBYFCSVVCEELT-UHFFFAOYSA-N -1 0 330.388 3.642 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2CCc3c2cccc3Cl)cc1F ZINC000833131092 604815822 /nfs/dbraw/zinc/81/58/22/604815822.db2.gz MXJFDEVRMADNCU-HNNXBMFYSA-N -1 0 333.746 3.595 20 0 EHADRM CC1(C)CCC(C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)CC1 ZINC000828060544 604821102 /nfs/dbraw/zinc/82/11/02/604821102.db2.gz UGMPNZMCRTVFCX-UHFFFAOYSA-N -1 0 347.455 3.763 20 0 EHADRM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828185575 604823792 /nfs/dbraw/zinc/82/37/92/604823792.db2.gz YZRVHGPCCFUDHV-BXUZGUMPSA-N -1 0 345.345 3.681 20 0 EHADRM CCN(C(=O)c1ccc2nc(C)ccc2c1)c1ccccc1C(=O)[O-] ZINC000829601890 604826502 /nfs/dbraw/zinc/82/65/02/604826502.db2.gz CXBKQFIOHSWYKZ-UHFFFAOYSA-N -1 0 334.375 3.908 20 0 EHADRM Cc1ccc2cc(C(=O)N[C@H](c3ccccc3)[C@@H](C)C(=O)[O-])ccc2n1 ZINC000832961741 604829232 /nfs/dbraw/zinc/82/92/32/604829232.db2.gz AWSRUSFBZAITQG-KUHUBIRLSA-N -1 0 348.402 3.735 20 0 EHADRM CC1(C)C[C@H](NC(=O)c2ccc(C(=O)[O-])c(F)c2)c2ccccc2O1 ZINC000828055697 604830542 /nfs/dbraw/zinc/83/05/42/604830542.db2.gz ICEHUMIXKAJVGQ-HNNXBMFYSA-N -1 0 343.354 3.556 20 0 EHADRM Cc1cc(C)cc(CCC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c1 ZINC000190475873 604832812 /nfs/dbraw/zinc/83/28/12/604832812.db2.gz PVFPCNUITKGNJC-SFHVURJKSA-N -1 0 325.408 3.568 20 0 EHADRM Cc1nc(C)c(C)c(Oc2cc(Br)cc(C(=O)[O-])c2)n1 ZINC000833754900 604837095 /nfs/dbraw/zinc/83/70/95/604837095.db2.gz OCCLKWYORUOOQY-UHFFFAOYSA-N -1 0 337.173 3.655 20 0 EHADRM CC(C)(C)C1CCC(=CC(=O)NC2(C(=O)[O-])CCSCC2)CC1 ZINC000833427026 604840319 /nfs/dbraw/zinc/84/03/19/604840319.db2.gz XSKYIUZRTXLSBE-UHFFFAOYSA-N -1 0 339.501 3.616 20 0 EHADRM O=C([O-])c1ccc(C(=O)OCc2cc(-c3ccccc3)on2)cc1F ZINC000833353647 604855284 /nfs/dbraw/zinc/85/52/84/604855284.db2.gz ZTGAYSKHEBKTMF-UHFFFAOYSA-N -1 0 341.294 3.536 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=S)Nc2ccc3c(c2)CCC3)C1 ZINC000833416826 604856705 /nfs/dbraw/zinc/85/67/05/604856705.db2.gz GHWBXHSJVXJUHC-OAHLLOKOSA-N -1 0 346.496 3.695 20 0 EHADRM Cc1ccc(Cl)c(NC(=O)N2CCC[C@@H](CN(C)C(=O)[O-])C2)c1 ZINC000830323082 604864030 /nfs/dbraw/zinc/86/40/30/604864030.db2.gz BXHPKFCLZKCGDZ-LBPRGKRZSA-N -1 0 339.823 3.502 20 0 EHADRM Cc1ccc(Cl)c(NC(=O)N(C)C2CCC(NC(=O)[O-])CC2)c1 ZINC000830325162 604864315 /nfs/dbraw/zinc/86/43/15/604864315.db2.gz YAJACEAZXOUABK-UHFFFAOYSA-N -1 0 339.823 3.691 20 0 EHADRM CN(Cc1ccc(NC(=O)[C@H]2CCCc3sccc32)cc1)C(=O)[O-] ZINC000830831409 604864508 /nfs/dbraw/zinc/86/45/08/604864508.db2.gz XDODSJQIXIWEBM-HNNXBMFYSA-N -1 0 344.436 3.917 20 0 EHADRM CCC[C@H](C(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1)c1ccccc1 ZINC000833647996 604867003 /nfs/dbraw/zinc/86/70/03/604867003.db2.gz MYFZPYMQKPITEQ-ZDUSSCGKSA-N -1 0 337.379 3.784 20 0 EHADRM Cc1ccc(C)c([C@H]2CCCN2C(=O)CC2CCN(C(=O)[O-])CC2)c1 ZINC000830268595 604868584 /nfs/dbraw/zinc/86/85/84/604868584.db2.gz RLWCQRVDQQTHNG-GOSISDBHSA-N -1 0 344.455 3.747 20 0 EHADRM COc1cccc2c(N3CCC[C@@H](C(C)(C)C(=O)[O-])C3)cc(C)nc12 ZINC000833735952 604871847 /nfs/dbraw/zinc/87/18/47/604871847.db2.gz OSOYWYCPEHKDCC-CQSZACIVSA-N -1 0 342.439 3.879 20 0 EHADRM C[C@@H](C(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F)C(F)(F)F ZINC000833407613 604881504 /nfs/dbraw/zinc/88/15/04/604881504.db2.gz TZMWCJJWBBETID-IMTBSYHQSA-N -1 0 344.207 3.730 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2ccccc2C(F)(F)F)C1 ZINC000325499256 604886755 /nfs/dbraw/zinc/88/67/55/604886755.db2.gz ZWFUBICOYRVVGG-LLVKDONJSA-N -1 0 343.345 3.668 20 0 EHADRM CC1=C(C(=O)[O-])C[C@H](CSc2nc3ccccc3n2C(F)F)O1 ZINC000833580686 604887791 /nfs/dbraw/zinc/88/77/91/604887791.db2.gz IKILLGKPXCINGV-SECBINFHSA-N -1 0 340.351 3.671 20 0 EHADRM O=C([O-])c1ccc(C(=O)O[C@H](C2CCCC2)C(F)(F)F)cc1F ZINC000833352329 604888472 /nfs/dbraw/zinc/88/84/72/604888472.db2.gz VXDLVCGRAJKKFJ-GFCCVEGCSA-N -1 0 334.265 3.802 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N2Cc3ccccc3C(F)(F)C2)cc1 ZINC000833290178 604893676 /nfs/dbraw/zinc/89/36/76/604893676.db2.gz PDNXYOCFSJEFLC-UHFFFAOYSA-N -1 0 347.321 3.916 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@H]2CCCc3sccc32)C1 ZINC000322058152 604894283 /nfs/dbraw/zinc/89/42/83/604894283.db2.gz OOMWXNSAROKWBM-OCCSQVGLSA-N -1 0 335.469 3.517 20 0 EHADRM CC(C)CCSCC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000262056707 604900824 /nfs/dbraw/zinc/90/08/24/604900824.db2.gz GHSDIMRJJWAOQX-UHFFFAOYSA-N -1 0 345.848 3.521 20 0 EHADRM COc1ccc(CNC(=O)c2ccc(NC(=O)[O-])cc2Cl)c(C)c1 ZINC000829389450 604914613 /nfs/dbraw/zinc/91/46/13/604914613.db2.gz KVJUIHCSGMESAB-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM COc1cccc([C@H]2CCCN2C(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000832540458 604924449 /nfs/dbraw/zinc/92/44/49/604924449.db2.gz NYZUYVITXVHIAA-QGZVFWFLSA-N -1 0 343.354 3.510 20 0 EHADRM CCN(C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)C1CCCC1 ZINC000829602649 604925448 /nfs/dbraw/zinc/92/54/48/604925448.db2.gz UENBVRRFWUQAQG-UHFFFAOYSA-N -1 0 340.807 3.600 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1 ZINC000059707029 604932764 /nfs/dbraw/zinc/93/27/64/604932764.db2.gz SOJSBWVESSIJCF-UHFFFAOYSA-N -1 0 331.799 3.847 20 0 EHADRM CCCCC[C@H]1CCCN1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000829347492 604944791 /nfs/dbraw/zinc/94/47/91/604944791.db2.gz KAUDPFNYIQOHAH-HNNXBMFYSA-N -1 0 334.416 3.727 20 0 EHADRM Cc1sc(NC(=O)c2cccc([C@H]3CCOC3)c2)c(C(=O)[O-])c1C ZINC000833758249 604954629 /nfs/dbraw/zinc/95/46/29/604954629.db2.gz TXJMOQVJOSEAQQ-AWEZNQCLSA-N -1 0 345.420 3.819 20 0 EHADRM N#Cc1ccc(NC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c(Cl)c1 ZINC000326155423 604962627 /nfs/dbraw/zinc/96/26/27/604962627.db2.gz YMRHQKUCFBFVTG-HNNXBMFYSA-N -1 0 343.770 3.549 20 0 EHADRM Cc1ccccc1C(C)(C)CNC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000832977676 604967438 /nfs/dbraw/zinc/96/74/38/604967438.db2.gz XACHMRQTBTXFDB-UHFFFAOYSA-N -1 0 329.371 3.540 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=S)Nc1ccc(SC(F)F)cc1 ZINC000833210548 604973949 /nfs/dbraw/zinc/97/39/49/604973949.db2.gz JGUMASLNLZEIPL-SNVBAGLBSA-N -1 0 346.424 3.637 20 0 EHADRM CCC[C@@H]1[C@@H](C)CCCN1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000829245236 604978035 /nfs/dbraw/zinc/97/80/35/604978035.db2.gz GYJUPCPMIOLGRY-WCQYABFASA-N -1 0 339.461 3.593 20 0 EHADRM C[C@H](CCNC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC000392686602 604982932 /nfs/dbraw/zinc/98/29/32/604982932.db2.gz OCKFZLCYHSWVNY-NVXWUHKLSA-N -1 0 346.471 3.713 20 0 EHADRM CC(C)N(Cc1ccccc1)C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000826951320 604991736 /nfs/dbraw/zinc/99/17/36/604991736.db2.gz GARZCMAWGGHJNN-UHFFFAOYSA-N -1 0 347.440 3.603 20 0 EHADRM CCc1nc(NC(=O)C[C@H](C)c2ccccc2F)sc1C(=O)[O-] ZINC000833675757 604993770 /nfs/dbraw/zinc/99/37/70/604993770.db2.gz GXSOXJAJLHCMNP-VIFPVBQESA-N -1 0 336.388 3.675 20 0 EHADRM CCc1nc(NC(=O)C[C@@H](C)c2ccccc2OC)sc1C(=O)[O-] ZINC000833676138 604996015 /nfs/dbraw/zinc/99/60/15/604996015.db2.gz KPIAQKZYZCSCHI-SNVBAGLBSA-N -1 0 348.424 3.545 20 0 EHADRM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NCCCCCCC(=O)[O-] ZINC000833617271 605021808 /nfs/dbraw/zinc/02/18/08/605021808.db2.gz QGSNNGKCYCPAGY-RDTXWAMCSA-N -1 0 332.444 3.644 20 0 EHADRM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)NCCCCCCC(=O)[O-] ZINC000833617268 605021900 /nfs/dbraw/zinc/02/19/00/605021900.db2.gz QGSNNGKCYCPAGY-KBXCAEBGSA-N -1 0 332.444 3.644 20 0 EHADRM CCC[C@@H](NC(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)[O-] ZINC000680363660 605022520 /nfs/dbraw/zinc/02/25/20/605022520.db2.gz GULGOZHRHFKTDJ-MRXNPFEDSA-N -1 0 331.343 3.601 20 0 EHADRM CCC[C@@H](NC(=O)c1ccc(C2SCCCS2)cc1)C(=O)[O-] ZINC000262168520 605023332 /nfs/dbraw/zinc/02/33/32/605023332.db2.gz QDRPLFJSAQUIJK-CYBMUJFWSA-N -1 0 339.482 3.538 20 0 EHADRM C[C@@H](C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1)c1c(F)cccc1F ZINC000833407628 605035979 /nfs/dbraw/zinc/03/59/79/605035979.db2.gz UFBBSYQPRJQWDP-PSLIRLAXSA-N -1 0 338.281 3.577 20 0 EHADRM C[C@H](c1cccc(F)c1)N1CCN([C@@H](C)c2ccc(C(=O)[O-])o2)CC1 ZINC000833547704 605049785 /nfs/dbraw/zinc/04/97/85/605049785.db2.gz HTIQLPLKXYYJED-KGLIPLIRSA-N -1 0 346.402 3.557 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)OCc1ccccc1CC(=O)[O-] ZINC000833385891 605055896 /nfs/dbraw/zinc/05/58/96/605055896.db2.gz JHYWYZXTONGYRE-RAXLEYEMSA-N -1 0 328.339 3.600 20 0 EHADRM C[C@@H](C(=O)OCc1ccccc1CC(=O)[O-])c1ccc(Cl)s1 ZINC000833409881 605056138 /nfs/dbraw/zinc/05/61/38/605056138.db2.gz SUPOSDISQIFZOO-SNVBAGLBSA-N -1 0 338.812 3.876 20 0 EHADRM C[C@@H](CC(=O)N1C[C@H](C(=O)[O-])c2ccccc21)c1ccc(F)cc1F ZINC000192939685 605061951 /nfs/dbraw/zinc/06/19/51/605061951.db2.gz JBSGCGFUUMQBLT-NHYWBVRUSA-N -1 0 345.345 3.673 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1nc(-c2cccc(F)c2)cs1 ZINC000833456397 605066883 /nfs/dbraw/zinc/06/68/83/605066883.db2.gz LWPFTDSOWGNMJU-UHFFFAOYSA-N -1 0 336.388 3.779 20 0 EHADRM CC1(C)CC[C@@H](C(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)C1 ZINC000833557355 605075815 /nfs/dbraw/zinc/07/58/15/605075815.db2.gz JHUPXBPVDQZHJB-CYBMUJFWSA-N -1 0 339.382 3.594 20 0 EHADRM CCCOc1ccc([C@H](C)NC(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000833651809 605085243 /nfs/dbraw/zinc/08/52/43/605085243.db2.gz ATZJBPYYCKUWRS-JEYLPNPQSA-N -1 0 333.428 3.544 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cccc(OC(F)(F)F)c1)C(=O)[O-] ZINC000325397704 605092680 /nfs/dbraw/zinc/09/26/80/605092680.db2.gz FJLVGSJXJNXSCD-UHFFFAOYSA-N -1 0 348.321 3.598 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc(OC(C)C)cc1C)C(=O)[O-] ZINC000567673552 605095035 /nfs/dbraw/zinc/09/50/35/605095035.db2.gz BACXSZJBHYVAMY-UHFFFAOYSA-N -1 0 336.432 3.795 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Oc1ccc(C(=O)c2ccccc2)cc1 ZINC000833455735 605095638 /nfs/dbraw/zinc/09/56/38/605095638.db2.gz YLKAPYWCXBOVSD-UHFFFAOYSA-N -1 0 340.375 3.714 20 0 EHADRM CCOc1ccc([C@H]2CCCN2C(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000190611868 605098243 /nfs/dbraw/zinc/09/82/43/605098243.db2.gz BUCVXZOTKKWAEY-MRXNPFEDSA-N -1 0 333.428 3.640 20 0 EHADRM CC(C)C[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000833475579 605100902 /nfs/dbraw/zinc/10/09/02/605100902.db2.gz QVGOFWRZXKOYRH-SECBINFHSA-N -1 0 330.331 3.542 20 0 EHADRM C[C@H]1CC[C@H](NC(=O)c2ccc(OCC(=O)[O-])cc2)c2ccccc21 ZINC000659759042 605109345 /nfs/dbraw/zinc/10/93/45/605109345.db2.gz NEVAQZRDXDDBKI-UGSOOPFHSA-N -1 0 339.391 3.518 20 0 EHADRM CCc1nc(C)c([C@@H](C)OC(=O)C2CCC(C(=O)[O-])CC2)s1 ZINC000833672432 605120828 /nfs/dbraw/zinc/12/08/28/605120828.db2.gz AIXSHVOXHPPCOM-VOMCLLRMSA-N -1 0 325.430 3.509 20 0 EHADRM CC1(C)CC[C@H](C(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)C1 ZINC000833558219 605124965 /nfs/dbraw/zinc/12/49/65/605124965.db2.gz UUMPPVXPGJOYRC-HNNXBMFYSA-N -1 0 344.455 3.614 20 0 EHADRM C[C@@H]1CC[C@@H](NC(=O)N2CCC(CCC(=O)[O-])CC2)c2ccccc21 ZINC000659400162 605126007 /nfs/dbraw/zinc/12/60/07/605126007.db2.gz OZKOWMIRLSZPGF-RDTXWAMCSA-N -1 0 344.455 3.911 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)Nc2nc(-c3ccccc3)c(CC(=O)[O-])s2)C1 ZINC000833604916 605141239 /nfs/dbraw/zinc/14/12/39/605141239.db2.gz ICGILXJSIFZAJL-YPMHNXCESA-N -1 0 344.436 3.812 20 0 EHADRM Cc1ccccc1-c1csc(NC(=O)C2CCC(C(=O)[O-])CC2)n1 ZINC000833752921 605147701 /nfs/dbraw/zinc/14/77/01/605147701.db2.gz FIWJHQRZDILIQP-UHFFFAOYSA-N -1 0 344.436 3.948 20 0 EHADRM CC(C)(C)C[C@H](Sc1nncn1-c1cccc(Cl)c1)C(=O)[O-] ZINC000833429275 605149428 /nfs/dbraw/zinc/14/94/28/605149428.db2.gz HUCKTIHJNIIFMN-LBPRGKRZSA-N -1 0 339.848 3.902 20 0 EHADRM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2C(=O)CC/C=C/c1ccccc1 ZINC000832229115 605152680 /nfs/dbraw/zinc/15/26/80/605152680.db2.gz VKYVDGDSFLJHJM-VUGKMZQMSA-N -1 0 342.439 3.660 20 0 EHADRM Cc1c(NC(=O)Nc2cccc(NC(=O)[O-])c2)cnn1CC(C)C ZINC000833742452 605154503 /nfs/dbraw/zinc/15/45/03/605154503.db2.gz RVCLFYZTGKOSJB-UHFFFAOYSA-N -1 0 331.376 3.581 20 0 EHADRM C[C@H]1CCC[C@H](OCCCCCC(=O)N2CCCC[C@@H]2C(=O)[O-])C1 ZINC000833608131 605166920 /nfs/dbraw/zinc/16/69/20/605166920.db2.gz MHVXCFHQBIDZCW-YESZJQIVSA-N -1 0 339.476 3.608 20 0 EHADRM CC[C@@H](NC(=O)Nc1cncc(C(=O)[O-])c1)c1ccc(Cl)s1 ZINC000833643593 605172647 /nfs/dbraw/zinc/17/26/47/605172647.db2.gz YWFJHXRGZYDQFP-SNVBAGLBSA-N -1 0 339.804 3.768 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)Nc1cncc(C(=O)[O-])c1)c1ccccc1 ZINC000833424039 605176632 /nfs/dbraw/zinc/17/66/32/605176632.db2.gz QRLFEAOXNALWKX-HNNXBMFYSA-N -1 0 327.384 3.689 20 0 EHADRM C[C@H]1CC/C(=C\C(=O)OCc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000833603904 605190990 /nfs/dbraw/zinc/19/09/90/605190990.db2.gz XCJVSSHJKWOEHA-OQZOHAQUSA-N -1 0 341.363 3.829 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)C3CCC(C(=O)[O-])CC3)ccc2[nH]1 ZINC000833450449 605213448 /nfs/dbraw/zinc/21/34/48/605213448.db2.gz CMAZQRFALCZTTM-UHFFFAOYSA-N -1 0 343.427 3.690 20 0 EHADRM C[C@H](Nc1ccc(CN(C)C(=O)[O-])cc1)c1ccc([S@@](C)=O)cc1 ZINC000833525795 605219140 /nfs/dbraw/zinc/21/91/40/605219140.db2.gz QUFRIJUJKWQUPT-RKNYENMMSA-N -1 0 346.452 3.707 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)c1cnc(Cc2ccccc2)s1)C(=O)[O-] ZINC000833428998 605229514 /nfs/dbraw/zinc/22/95/14/605229514.db2.gz DWKGNBSJZPJJQE-ZDUSSCGKSA-N -1 0 347.436 3.780 20 0 EHADRM CCC(CC)n1ccc(C(=O)Nc2cc(NC(=O)[O-])ccc2F)n1 ZINC000826576075 605239016 /nfs/dbraw/zinc/23/90/16/605239016.db2.gz PTSMMXLRYWWTCR-UHFFFAOYSA-N -1 0 334.351 3.726 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000833641633 605239716 /nfs/dbraw/zinc/23/97/16/605239716.db2.gz KAGYRQNUTNPGMT-UHFFFAOYSA-N -1 0 344.415 3.919 20 0 EHADRM CC(C)n1ncc2ccc(NCc3ccc(NC(=O)[O-])nc3)cc21 ZINC000824534646 605249035 /nfs/dbraw/zinc/24/90/35/605249035.db2.gz NYASCVFETSMTFQ-UHFFFAOYSA-N -1 0 325.372 3.714 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC000317018339 605251318 /nfs/dbraw/zinc/25/13/18/605251318.db2.gz QXSPRGNCRADYDO-VIFPVBQESA-N -1 0 336.800 3.553 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC000683317979 605257089 /nfs/dbraw/zinc/25/70/89/605257089.db2.gz CJOVHIMSBZILGM-KSSFIOAISA-N -1 0 343.398 3.727 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000683320553 605258583 /nfs/dbraw/zinc/25/85/83/605258583.db2.gz RQBXCDLXLISWQY-UHFFFAOYSA-N -1 0 344.238 3.990 20 0 EHADRM Cc1coc(-c2cc(NCC3CCN(C(=O)[O-])CC3)ccc2C)n1 ZINC000830650438 605261391 /nfs/dbraw/zinc/26/13/91/605261391.db2.gz IYQOCJJVLKCMSW-UHFFFAOYSA-N -1 0 329.400 3.760 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000833514824 605261912 /nfs/dbraw/zinc/26/19/12/605261912.db2.gz BSZHMXWSWTXUQX-ZDUSSCGKSA-N -1 0 346.452 3.758 20 0 EHADRM C[C@@H](Nc1ccc(NC(=O)[O-])c(F)c1)C(=O)NCCC1=CCCCC1 ZINC000833524881 605262686 /nfs/dbraw/zinc/26/26/86/605262686.db2.gz KLAZSJDOAKHTFW-GFCCVEGCSA-N -1 0 349.406 3.723 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc(C(=O)[O-])no1 ZINC000833547377 605263513 /nfs/dbraw/zinc/26/35/13/605263513.db2.gz CJRYTIDKBQLSBG-ZETCQYMHSA-N -1 0 343.166 3.513 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000191680267 605273928 /nfs/dbraw/zinc/27/39/28/605273928.db2.gz PWMQNFOJDMNPHP-ZDUSSCGKSA-N -1 0 339.819 3.561 20 0 EHADRM CC(C)Cc1nc(C(=O)Nc2ccc(NC(=O)[O-])c(F)c2)cs1 ZINC000833492272 605275243 /nfs/dbraw/zinc/27/52/43/605275243.db2.gz DTGWBWQEHCLBEH-UHFFFAOYSA-N -1 0 337.376 3.823 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833536280 605275607 /nfs/dbraw/zinc/27/56/07/605275607.db2.gz QOJZPMBGVQJJQQ-NSHDSACASA-N -1 0 338.379 3.982 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)c2cncnc2-c2ccccc2)cc1 ZINC000833685305 605285746 /nfs/dbraw/zinc/28/57/46/605285746.db2.gz KKPUARDSQQQMMV-UHFFFAOYSA-N -1 0 348.362 3.510 20 0 EHADRM CCc1[nH]c(C(=O)Nc2ccc(C(C)=O)c(Cl)c2)c(C)c1C(=O)[O-] ZINC000833669867 605304512 /nfs/dbraw/zinc/30/45/12/605304512.db2.gz XPXBCELQTJTZPA-UHFFFAOYSA-N -1 0 348.786 3.692 20 0 EHADRM C[C@H](CSc1ccccc1)c1nc(C[C@H](C)N(C)C(=O)[O-])no1 ZINC000825015126 605306441 /nfs/dbraw/zinc/30/64/41/605306441.db2.gz CHKAMHSRGVIVCH-NEPJUHHUSA-N -1 0 335.429 3.506 20 0 EHADRM CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cccc(CC(=O)[O-])c2)CC1 ZINC000833437682 605309180 /nfs/dbraw/zinc/30/91/80/605309180.db2.gz VJSQRVWYMLRNSL-OAHLLOKOSA-N -1 0 348.443 3.515 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)N[C@H](CC(=O)[O-])c2ccc(C(F)(F)F)cc2)C1 ZINC000833600934 605309619 /nfs/dbraw/zinc/30/96/19/605309619.db2.gz IAGHLYPOVDXKPE-SCDSUCTJSA-N -1 0 343.345 3.774 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)c3cccnc3C3CC3)ccc21 ZINC000834051513 605316500 /nfs/dbraw/zinc/31/65/00/605316500.db2.gz BZYRWZZWRRUSAG-UHFFFAOYSA-N -1 0 337.379 3.642 20 0 EHADRM O=C([O-])Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)cn1 ZINC000834254582 605316670 /nfs/dbraw/zinc/31/66/70/605316670.db2.gz AKDUCEJAMIYKND-UHFFFAOYSA-N -1 0 343.236 3.582 20 0 EHADRM Cc1ccc(-c2ncc(CNc3cncc(C(=O)[O-])c3)s2)cc1 ZINC000833746356 605327756 /nfs/dbraw/zinc/32/77/56/605327756.db2.gz ATEJFDMSXMWNQK-UHFFFAOYSA-N -1 0 325.393 3.824 20 0 EHADRM Cc1nc2ccccc2nc1S[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000833755960 605336242 /nfs/dbraw/zinc/33/62/42/605336242.db2.gz FKSWVNORIIABIV-INIZCTEOSA-N -1 0 342.395 3.865 20 0 EHADRM CC(C)c1csc(NC(=O)NC2(CC(=O)[O-])CCCCC2)n1 ZINC000315439401 605337312 /nfs/dbraw/zinc/33/73/12/605337312.db2.gz RFSOJHJDSSTNOA-UHFFFAOYSA-N -1 0 325.434 3.566 20 0 EHADRM CCc1cnccc1[C@H](C)N[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833675517 605392370 /nfs/dbraw/zinc/39/23/70/605392370.db2.gz ZBWRCHMRVQHRLN-QFYYESIMSA-N -1 0 336.794 3.913 20 0 EHADRM CCC(CC)[C@H]1C[C@H](NC(=O)Nc2cccc(NC(=O)[O-])c2)CCO1 ZINC000833642777 605396130 /nfs/dbraw/zinc/39/61/30/605396130.db2.gz SRUNXNWDDKYLRU-HZPDHXFCSA-N -1 0 349.431 3.882 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000833383743 605419861 /nfs/dbraw/zinc/41/98/61/605419861.db2.gz NOWZNMGVUXEDAD-WVUXNXBLSA-N -1 0 329.421 3.792 20 0 EHADRM O=C([O-])Nc1cccc(COC(=O)CCC(=O)c2cccc(F)c2)c1 ZINC000834267824 605440707 /nfs/dbraw/zinc/44/07/07/605440707.db2.gz BWRVPQMMPJVTAS-UHFFFAOYSA-N -1 0 345.326 3.622 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)c2cnc3ccc(F)cc3c2)c1 ZINC000834261309 605454671 /nfs/dbraw/zinc/45/46/71/605454671.db2.gz KBNMOAWLOZDSGO-UHFFFAOYSA-N -1 0 343.289 3.855 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000191335471 605460103 /nfs/dbraw/zinc/46/01/03/605460103.db2.gz ICCXHOHFSNAWCZ-UHFFFAOYSA-N -1 0 325.773 3.751 20 0 EHADRM COc1ccc2oc(C)c(C(=O)NCC3(C(=O)[O-])CCCCC3)c2c1 ZINC000762210565 605464531 /nfs/dbraw/zinc/46/45/31/605464531.db2.gz FSWONHPPIPYIJN-UHFFFAOYSA-N -1 0 345.395 3.515 20 0 EHADRM C[C@H](Cc1noc([C@H](C)CSCc2ccccc2)n1)N(C)C(=O)[O-] ZINC000825015595 605475312 /nfs/dbraw/zinc/47/53/12/605475312.db2.gz HPHXAQZABXMFDI-CHWSQXEVSA-N -1 0 349.456 3.647 20 0 EHADRM C[C@H](CSCc1ccccc1)c1nc(C2(NC(=O)[O-])CCC2)no1 ZINC000825016095 605475628 /nfs/dbraw/zinc/47/56/28/605475628.db2.gz MLIBGZQPQYTYSU-GFCCVEGCSA-N -1 0 347.440 3.753 20 0 EHADRM CC(C)(C)n1nc(C(=O)OCc2ccccc2C(=O)[O-])cc1C1CC1 ZINC000833452084 605501228 /nfs/dbraw/zinc/50/12/28/605501228.db2.gz LNTIKGOUEIUFRR-UHFFFAOYSA-N -1 0 342.395 3.571 20 0 EHADRM CC(C)c1ncc(C(=O)Nc2cccc3c2CCN3C(=O)[O-])s1 ZINC000824495327 605532153 /nfs/dbraw/zinc/53/21/53/605532153.db2.gz NAINWGBCAYEPJL-UHFFFAOYSA-N -1 0 331.397 3.559 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)OCc2cccc(NC(=O)[O-])c2)s1 ZINC000830177179 605540205 /nfs/dbraw/zinc/54/02/05/605540205.db2.gz XFJYZGVOQLQQNG-UHFFFAOYSA-N -1 0 347.392 3.853 20 0 EHADRM Cc1cc(Br)cc(NC(=O)C2CC(C)C2)c1NC(=O)[O-] ZINC000833897144 605567225 /nfs/dbraw/zinc/56/72/25/605567225.db2.gz FJVGRXVNGCPXPX-UHFFFAOYSA-N -1 0 341.205 3.832 20 0 EHADRM O=C([O-])N[C@@H](CC(=O)N[C@H](c1cccs1)C1CC1)c1ccccc1 ZINC000832099766 605575632 /nfs/dbraw/zinc/57/56/32/605575632.db2.gz PPRGPLPSDMESJG-YOEHRIQHSA-N -1 0 344.436 3.714 20 0 EHADRM Cc1ccc(OCCN(C)C(=O)c2ccc(NC(=O)[O-])c(C)c2)cc1 ZINC000830406454 605586730 /nfs/dbraw/zinc/58/67/30/605586730.db2.gz FYGMGHDFORRUEV-UHFFFAOYSA-N -1 0 342.395 3.544 20 0 EHADRM CCCN(C(=O)N[C@H](CC)c1ccccc1)C1CCN(C(=O)[O-])CC1 ZINC000826867683 605592265 /nfs/dbraw/zinc/59/22/65/605592265.db2.gz ZBPNBBGIAMFCFL-QGZVFWFLSA-N -1 0 347.459 3.702 20 0 EHADRM CCOCc1ccccc1CNC(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000827408245 605606649 /nfs/dbraw/zinc/60/66/49/605606649.db2.gz GIQACYGTECPTRB-UHFFFAOYSA-N -1 0 342.395 3.551 20 0 EHADRM CN(C(=O)C[C@@H](NC(=O)[O-])c1ccccc1)c1ccc2ccccc2n1 ZINC000833869968 605615685 /nfs/dbraw/zinc/61/56/85/605615685.db2.gz VPFUBWAFBFHUPT-QGZVFWFLSA-N -1 0 349.390 3.597 20 0 EHADRM C[C@@H]1C[C@H](C(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)CC(C)(C)C1 ZINC000833592420 605617293 /nfs/dbraw/zinc/61/72/93/605617293.db2.gz LATIUMWQNJZQDL-MNOVXSKESA-N -1 0 336.457 3.799 20 0 EHADRM CC1(CC(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)CCCCC1 ZINC000569710830 605621436 /nfs/dbraw/zinc/62/14/36/605621436.db2.gz XPQJJVABVPZRBW-UHFFFAOYSA-N -1 0 330.428 3.634 20 0 EHADRM CC[C@H](C)[C@H](C)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000262806069 605625573 /nfs/dbraw/zinc/62/55/73/605625573.db2.gz SKJWFWHXWAGGBU-STQMWFEESA-N -1 0 329.396 3.924 20 0 EHADRM Cc1cc(C(=O)N[C@H](C)Cc2ccccc2F)ccc1NC(=O)[O-] ZINC000829941630 605635508 /nfs/dbraw/zinc/63/55/08/605635508.db2.gz WKTMSAWLZFQLTG-GFCCVEGCSA-N -1 0 330.359 3.585 20 0 EHADRM CCn1ncc2ccc(NC(=O)c3ccc(NC(=O)[O-])c(C)c3)cc21 ZINC000827730378 605654782 /nfs/dbraw/zinc/65/47/82/605654782.db2.gz GOBBIDLRTYWCMA-UHFFFAOYSA-N -1 0 338.367 3.707 20 0 EHADRM Cc1cc(C(=O)N2CCC(OC3CCCC3)CC2)ccc1NC(=O)[O-] ZINC000829918820 605659503 /nfs/dbraw/zinc/65/95/03/605659503.db2.gz CROZOAASNZVMMH-UHFFFAOYSA-N -1 0 346.427 3.649 20 0 EHADRM O=C([O-])NC[C@@H]1CCC[C@H]1Nc1cccc(OCc2cscn2)c1 ZINC000834219130 605661134 /nfs/dbraw/zinc/66/11/34/605661134.db2.gz XRXVPDSQUSBSFA-BLLLJJGKSA-N -1 0 347.440 3.570 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000740046868 605677329 /nfs/dbraw/zinc/67/73/29/605677329.db2.gz RYGXCEWHJLFHGB-NXEZZACHSA-N -1 0 330.306 3.627 20 0 EHADRM CCCO[C@H]1CCCN(C(=O)c2ccc(NC(=O)[O-])c(C)c2)CC1 ZINC000826934395 605682032 /nfs/dbraw/zinc/68/20/32/605682032.db2.gz CHBRIZMSLHNIJU-HNNXBMFYSA-N -1 0 334.416 3.506 20 0 EHADRM Cc1cc(C(=O)N[C@H](c2ccccn2)C(C)C)ccc1NC(=O)[O-] ZINC000829939342 605695333 /nfs/dbraw/zinc/69/53/33/605695333.db2.gz CVIVGHDVKZQLBJ-INIZCTEOSA-N -1 0 327.384 3.607 20 0 EHADRM Cc1cc(C(=O)N2CCc3c2cccc3Cl)ccc1NC(=O)[O-] ZINC000829933682 605711927 /nfs/dbraw/zinc/71/19/27/605711927.db2.gz APLLTTHQTXRGAG-UHFFFAOYSA-N -1 0 330.771 3.941 20 0 EHADRM Cc1cc(C(=O)N[C@H]2COc3c2cccc3Cl)ccc1NC(=O)[O-] ZINC000829944756 605711961 /nfs/dbraw/zinc/71/19/61/605711961.db2.gz FEVFZNMLYOHLRL-AWEZNQCLSA-N -1 0 346.770 3.602 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)Nc1ccc2c(cnn2C(F)F)c1 ZINC000834270104 605714804 /nfs/dbraw/zinc/71/48/04/605714804.db2.gz UFEBXEFZJMYLIJ-UHFFFAOYSA-N -1 0 346.293 3.774 20 0 EHADRM O=C([O-])N1CCC[C@@H](CNc2cccc(Oc3ccccn3)c2)C1 ZINC000834098296 605726614 /nfs/dbraw/zinc/72/66/14/605726614.db2.gz JDALCYOTQLRDDY-AWEZNQCLSA-N -1 0 327.384 3.676 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N[C@H](c2cccs2)C2CC2)c1 ZINC000834265031 605756950 /nfs/dbraw/zinc/75/69/50/605756950.db2.gz KLOPUCCSXHHIFC-INIZCTEOSA-N -1 0 330.409 3.648 20 0 EHADRM O=C([O-])Nc1cc2ccccc2cc1C(=O)Nc1cccc(CO)c1 ZINC000834256676 605762098 /nfs/dbraw/zinc/76/20/98/605762098.db2.gz ORYDJWOIBJUUOS-UHFFFAOYSA-N -1 0 336.347 3.674 20 0 EHADRM CCCn1c(C)nnc1CSCc1cc(C(=O)[O-])ccc1Cl ZINC000833652057 605788797 /nfs/dbraw/zinc/78/87/97/605788797.db2.gz CXOFNSFPHYWQQY-UHFFFAOYSA-N -1 0 339.848 3.782 20 0 EHADRM Cc1c[nH]c(-c2ccccc2NC(=O)c2ccc(NC(=O)[O-])cc2)n1 ZINC000829888318 605804843 /nfs/dbraw/zinc/80/48/43/605804843.db2.gz AKXYNUZLTXDYHW-UHFFFAOYSA-N -1 0 336.351 3.727 20 0 EHADRM O=C([O-])c1ccc(F)c(COC(=O)[C@H]2CCCc3sccc32)c1 ZINC000833781252 605819317 /nfs/dbraw/zinc/81/93/17/605819317.db2.gz XAACGYJOUVQQMD-ZDUSSCGKSA-N -1 0 334.368 3.749 20 0 EHADRM Cc1cc(C(=O)OCc2cc(-c3ccco3)on2)ccc1NC(=O)[O-] ZINC000829976649 605830257 /nfs/dbraw/zinc/83/02/57/605830257.db2.gz OBZDKJNFJAKXSB-UHFFFAOYSA-N -1 0 342.307 3.690 20 0 EHADRM CC(C)(NCc1cc(C(=O)[O-])ccc1Cl)C(=O)Nc1ccccc1 ZINC000833461425 605839706 /nfs/dbraw/zinc/83/97/06/605839706.db2.gz VVDJAMPPIVHUAD-UHFFFAOYSA-N -1 0 346.814 3.545 20 0 EHADRM C[C@H](C(=O)Nc1ccc(O)c(Cl)c1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000833791378 605846786 /nfs/dbraw/zinc/84/67/86/605846786.db2.gz UYIRNCGIXRYAMU-ZUZCIYMTSA-N -1 0 348.786 3.629 20 0 EHADRM O=C([O-])Nc1cc2ccccc2cc1C(=O)Nc1cnn(C(F)F)c1 ZINC000834256484 605855367 /nfs/dbraw/zinc/85/53/67/605855367.db2.gz MKZFJMSNYSJABC-UHFFFAOYSA-N -1 0 346.293 3.774 20 0 EHADRM O=C([O-])N1CCC2(CCN(C(=O)c3ccc4sccc4c3)C2)CC1 ZINC000834091350 605874044 /nfs/dbraw/zinc/87/40/44/605874044.db2.gz PRYQHKYZYHAOEC-UHFFFAOYSA-N -1 0 344.436 3.507 20 0 EHADRM O=C([O-])NCCCCC(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000834236004 605900711 /nfs/dbraw/zinc/90/07/11/605900711.db2.gz YRDKNOIYMJKYNM-UHFFFAOYSA-N -1 0 338.379 3.524 20 0 EHADRM O=C([O-])N(Cc1nc(-c2c(Cl)cccc2Cl)no1)C1CC1 ZINC000834062094 605988675 /nfs/dbraw/zinc/98/86/75/605988675.db2.gz FBTLSTGNXRUDEV-UHFFFAOYSA-N -1 0 328.155 3.686 20 0 EHADRM O=C([O-])Nc1cccc(Cn2nc(C(F)(F)F)c3cnccc32)c1 ZINC000834268006 605994027 /nfs/dbraw/zinc/99/40/27/605994027.db2.gz HZFDZEMUSGWGJP-UHFFFAOYSA-N -1 0 336.273 3.588 20 0 EHADRM O=C([O-])NC1(c2noc(CC3CCC(C(F)(F)F)CC3)n2)CCC1 ZINC000834159163 605997397 /nfs/dbraw/zinc/99/73/97/605997397.db2.gz YAAMJOXMDZJESD-UHFFFAOYSA-N -1 0 347.337 3.628 20 0 EHADRM O=C([O-])Nc1cnc(C(=O)Oc2ccc(Cl)c3ccccc23)cn1 ZINC000834279428 606013731 /nfs/dbraw/zinc/01/37/31/606013731.db2.gz ISZZHYHRKIZHGC-UHFFFAOYSA-N -1 0 343.726 3.592 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000834270769 606044103 /nfs/dbraw/zinc/04/41/03/606044103.db2.gz BOBVAZWETDBMNY-VXGBXAGGSA-N -1 0 344.333 3.556 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)Cc1ccccc1NC(=O)[O-])C(C)C ZINC000833910190 606062295 /nfs/dbraw/zinc/06/22/95/606062295.db2.gz HWAGLXQGFNEXPF-QGZVFWFLSA-N -1 0 341.411 3.536 20 0 EHADRM O=C([O-])Nc1cccc(Cn2ccnc2-c2ccnc(Cl)c2)c1 ZINC000834267869 606083198 /nfs/dbraw/zinc/08/31/98/606083198.db2.gz CNMPONGTZTWSCX-UHFFFAOYSA-N -1 0 328.759 3.737 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NCCOc2ccc(C(C)C)cc2)c1 ZINC001600109288 970764688 /nfs/dbraw/zinc/76/46/88/970764688.db2.gz OZSUVPRIEIEWSX-UHFFFAOYSA-N -1 0 341.407 3.625 20 0 EHADRM CCc1ccsc1C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000181899838 939033985 /nfs/dbraw/zinc/03/39/85/939033985.db2.gz AGJPDVCDDSJKFO-GFCCVEGCSA-N -1 0 341.791 3.659 20 0 EHADRM CC1CCC(NC(=O)Cc2cccc3ccccc32)(C(=O)[O-])CC1 ZINC000236803204 939044803 /nfs/dbraw/zinc/04/48/03/939044803.db2.gz LYGOPFQPMRRFAC-UHFFFAOYSA-N -1 0 325.408 3.532 20 0 EHADRM CSc1ccc(Cl)c(C(=O)NC2(C(=O)[O-])CCCCCC2)c1 ZINC000237331144 939046512 /nfs/dbraw/zinc/04/65/12/939046512.db2.gz XLGGIKOEAWDAOO-UHFFFAOYSA-N -1 0 341.860 3.969 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000684746125 939047868 /nfs/dbraw/zinc/04/78/68/939047868.db2.gz UAPXAYHQTTZTJF-INIZCTEOSA-N -1 0 346.358 3.560 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000237771706 939049598 /nfs/dbraw/zinc/04/95/98/939049598.db2.gz JEARDRZITSAMEE-UHFFFAOYSA-N -1 0 335.400 3.866 20 0 EHADRM CCc1cc(NC(=O)N[C@@]2(C(=O)[O-])CCc3ccccc32)ccc1C ZINC000684748073 939050381 /nfs/dbraw/zinc/05/03/81/939050381.db2.gz HHVOVESWNUQFDR-FQEVSTJZSA-N -1 0 338.407 3.605 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CSCc1cccc(Cl)c1)c1ccccc1 ZINC000237995216 939053493 /nfs/dbraw/zinc/05/34/93/939053493.db2.gz IXYDPRUDPAUPLX-INIZCTEOSA-N -1 0 349.839 3.515 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2c(s1)CCCCC2)c1ccccc1 ZINC000238031458 939055900 /nfs/dbraw/zinc/05/59/00/939055900.db2.gz ZKANOFXBLJZTPQ-MRXNPFEDSA-N -1 0 329.421 3.573 20 0 EHADRM C[C@](NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC000766961769 939082910 /nfs/dbraw/zinc/08/29/10/939082910.db2.gz JMYIZJPJAMLQBM-TXPKVOOTSA-N -1 0 343.810 3.560 20 0 EHADRM CCC(CC)c1cc(C(=O)N[C@H](C(=O)[O-])c2ccc(F)c(C)c2)on1 ZINC000263101076 939100094 /nfs/dbraw/zinc/10/00/94/939100094.db2.gz RCDJPRAWSXCPCX-INIZCTEOSA-N -1 0 348.374 3.581 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000263167022 939105967 /nfs/dbraw/zinc/10/59/67/939105967.db2.gz QGHXMYOTOYRXCB-MGPQQGTHSA-N -1 0 349.839 3.756 20 0 EHADRM COc1ccc([C@H](NC(=O)c2ccc(C3CCC3)cc2)C(=O)[O-])cc1 ZINC000263252987 939112281 /nfs/dbraw/zinc/11/22/81/939112281.db2.gz HTJZUWSQPWUVKE-SFHVURJKSA-N -1 0 339.391 3.518 20 0 EHADRM C[C@@H](CC(=O)N[C@@](C)(C(=O)[O-])c1ccc(F)cc1)c1ccc(F)cc1 ZINC000263284998 939112615 /nfs/dbraw/zinc/11/26/15/939112615.db2.gz ZGXSZHASJMIAJJ-HXPMCKFVSA-N -1 0 347.361 3.575 20 0 EHADRM C[C@@](NC(=O)Nc1ccc2c(c1)oc1ccccc12)(C(=O)[O-])C1CC1 ZINC000780401644 939116607 /nfs/dbraw/zinc/11/66/07/939116607.db2.gz GESIHMJFAJLLLN-IBGZPJMESA-N -1 0 338.363 3.961 20 0 EHADRM CCC1CCC(NC(=O)NCc2ccc(Cl)s2)(C(=O)[O-])CC1 ZINC000316213139 939121988 /nfs/dbraw/zinc/12/19/88/939121988.db2.gz NQKSNOGLONCTSX-UHFFFAOYSA-N -1 0 344.864 3.624 20 0 EHADRM Cc1ccc(CCC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1Cl ZINC000324527447 939126123 /nfs/dbraw/zinc/12/61/23/939126123.db2.gz QOMYMZDJANTOFZ-LJQANCHMSA-N -1 0 345.826 3.697 20 0 EHADRM C[C@@](NC(=O)Nc1ccc2c(c1)Cc1ccccc1-2)(C(=O)[O-])C1CC1 ZINC000326793253 939127151 /nfs/dbraw/zinc/12/71/51/939127151.db2.gz QRMCVNRHLQCXLK-FQEVSTJZSA-N -1 0 336.391 3.633 20 0 EHADRM C[C@H](NC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)[C@H]1CC2CCC1CC2 ZINC000381755725 939132412 /nfs/dbraw/zinc/13/24/12/939132412.db2.gz WNCQSGWZOUQJMF-CZTNYSPZSA-N -1 0 344.455 3.500 20 0 EHADRM CSc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccccc2)c1C ZINC000780714337 939147755 /nfs/dbraw/zinc/14/77/55/939147755.db2.gz SMQACIYRVCVJQX-HNNXBMFYSA-N -1 0 330.409 3.664 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1ccc(F)cc1)c1cccc2ccccc21 ZINC000788315368 939148454 /nfs/dbraw/zinc/14/84/54/939148454.db2.gz QYOVTRBGACCLIB-KRWDZBQOSA-N -1 0 338.338 3.926 20 0 EHADRM O=C([O-])C1(NC(=O)c2cccc(Oc3ccc(Cl)cc3)c2)CCC1 ZINC000431805861 939160984 /nfs/dbraw/zinc/16/09/84/939160984.db2.gz XJGRRTRPKOMOTQ-UHFFFAOYSA-N -1 0 345.782 3.869 20 0 EHADRM O=C([O-])[C@H](NC(=O)NCc1ccsc1)c1cccc2ccccc21 ZINC000797707309 939164585 /nfs/dbraw/zinc/16/45/85/939164585.db2.gz PVCBBUCCEBWTKK-MRXNPFEDSA-N -1 0 340.404 3.526 20 0 EHADRM CCOc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)cc1 ZINC000431886568 939169023 /nfs/dbraw/zinc/16/90/23/939169023.db2.gz YZNJUZHIDRQBFT-IBGZPJMESA-N -1 0 349.386 3.794 20 0 EHADRM CC(C)(C)CCNC(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC000797712452 939171038 /nfs/dbraw/zinc/17/10/38/939171038.db2.gz LLBYUUKAHBYYPX-INIZCTEOSA-N -1 0 328.412 3.701 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)c1C ZINC000797725171 939188319 /nfs/dbraw/zinc/18/83/19/939188319.db2.gz VUACOVVKPGBOQG-QRWLVFNGSA-N -1 0 340.423 3.664 20 0 EHADRM CCC[C@@H](C)CC(=O)N[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000485202727 939218874 /nfs/dbraw/zinc/21/88/74/939218874.db2.gz BDVFHSYKXYUAEP-QMTHXVAHSA-N -1 0 342.233 3.517 20 0 EHADRM CC(C)C(=O)c1ccc([C@@H](C)C(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC000836717683 939223640 /nfs/dbraw/zinc/22/36/40/939223640.db2.gz XFZVFUMULXETIS-CQSZACIVSA-N -1 0 345.439 3.533 20 0 EHADRM CC[C@@](NC(=O)CCc1ccc(C)o1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507335730 939236720 /nfs/dbraw/zinc/23/67/20/939236720.db2.gz XHYZQBCLSOBDLS-SFHVURJKSA-N -1 0 349.814 3.680 20 0 EHADRM COc1ccc2oc(C)c(C(=O)N[C@@]3(C(=O)[O-])CC[C@H](C)CC3)c2c1 ZINC000851616752 939237298 /nfs/dbraw/zinc/23/72/98/939237298.db2.gz JMORKGJRIVIVDV-RRNAMWOMSA-N -1 0 345.395 3.513 20 0 EHADRM CC(C)(CC(=O)N[C@H](C(=O)[O-])c1ccccc1F)c1ccc(F)cc1 ZINC000864126305 939249094 /nfs/dbraw/zinc/24/90/94/939249094.db2.gz GKRGXRVJGDVUMI-KRWDZBQOSA-N -1 0 347.361 3.575 20 0 EHADRM CSCCCCCCC(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC000864148389 939252969 /nfs/dbraw/zinc/25/29/69/939252969.db2.gz VEECGKHDTRBHEJ-MRXNPFEDSA-N -1 0 341.448 3.690 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1ccc(F)c(C2CC2)c1)c1cccs1 ZINC000519687543 939253210 /nfs/dbraw/zinc/25/32/10/939253210.db2.gz YBEVUKVQCBHTOD-CQSZACIVSA-N -1 0 334.372 3.712 20 0 EHADRM CC[C@@H](C)c1cccc(NC(=O)N[C@H](C(=O)[O-])c2cccnc2)c1 ZINC000864582919 939259096 /nfs/dbraw/zinc/25/90/96/939259096.db2.gz IMXLSTZJHOBKCN-WBMJQRKESA-N -1 0 327.384 3.543 20 0 EHADRM CC(C)c1ccc(NC(=O)NC2(C(=O)[O-])Cc3ccccc3C2)cc1 ZINC000557774653 939308769 /nfs/dbraw/zinc/30/87/69/939308769.db2.gz CLPVCIRIGATEGF-UHFFFAOYSA-N -1 0 338.407 3.554 20 0 EHADRM CN(CC(C)(C)C)C(=O)N[C@H](C(=O)[O-])c1c(Cl)cccc1Cl ZINC000558692384 939311217 /nfs/dbraw/zinc/31/12/17/939311217.db2.gz HOQMDTHIBNUCHE-LBPRGKRZSA-N -1 0 347.242 3.807 20 0 EHADRM CC(C)(C)CCNC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000559471271 939313397 /nfs/dbraw/zinc/31/33/97/939313397.db2.gz VUNOTZXHFAMWPN-INIZCTEOSA-N -1 0 328.412 3.701 20 0 EHADRM CC[C@](NC(=O)c1ccoc1C1CC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000563202139 939338125 /nfs/dbraw/zinc/33/81/25/939338125.db2.gz UBHCFKXYGGBCOI-GOSISDBHSA-N -1 0 347.798 3.930 20 0 EHADRM Cc1ccc(SCCC(=O)N[C@@H](C(=O)[O-])c2ccsc2)cc1C ZINC000565250168 939347330 /nfs/dbraw/zinc/34/73/30/939347330.db2.gz IJFDSUJAJAKQSL-MRXNPFEDSA-N -1 0 349.477 3.789 20 0 EHADRM Cc1cccc(CNC(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)c1 ZINC000565752827 939351240 /nfs/dbraw/zinc/35/12/40/939351240.db2.gz MBIUANLMJRGQRT-LJQANCHMSA-N -1 0 348.402 3.773 20 0 EHADRM CCc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccsc2)cc1CC ZINC000565812396 939351500 /nfs/dbraw/zinc/35/15/00/939351500.db2.gz LPIMOZYLMFTWTA-HNNXBMFYSA-N -1 0 332.425 3.820 20 0 EHADRM CO[C@@H]1CCC[C@@H]([C@H](NC(=O)Nc2cccc(C(C)C)c2)C(=O)[O-])C1 ZINC000566298797 939353768 /nfs/dbraw/zinc/35/37/68/939353768.db2.gz GCHYVFUUJFSBTN-OIISXLGYSA-N -1 0 348.443 3.590 20 0 EHADRM CC[C@@](NC(=O)Nc1cccc(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC000566774908 939356911 /nfs/dbraw/zinc/35/69/11/939356911.db2.gz RGLDWHCGWWWZOW-KRWDZBQOSA-N -1 0 332.787 3.852 20 0 EHADRM CC(C)OCc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000569278465 939374046 /nfs/dbraw/zinc/37/40/46/939374046.db2.gz RHFWLVNNHQTHQT-QGZVFWFLSA-N -1 0 342.395 3.559 20 0 EHADRM CCC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000570423833 939383247 /nfs/dbraw/zinc/38/32/47/939383247.db2.gz OXZKOZLXKPLNKA-QZTJIDSGSA-N -1 0 340.423 3.523 20 0 EHADRM Cc1cc(C)cc([C@H](NC(=O)Nc2cc(F)cc(F)c2)C(=O)[O-])c1 ZINC000570904763 939387342 /nfs/dbraw/zinc/38/73/42/939387342.db2.gz XHOLUUBCNGGFIL-HNNXBMFYSA-N -1 0 334.322 3.529 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1ccc(C2CCC2)cc1)c1cccs1 ZINC000571401732 939391470 /nfs/dbraw/zinc/39/14/70/939391470.db2.gz ZDFJHDXJILRCES-OAHLLOKOSA-N -1 0 330.409 3.963 20 0 EHADRM CSCCCCC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000909528200 939402742 /nfs/dbraw/zinc/40/27/42/939402742.db2.gz ORGBVABNDSWGQG-KRWDZBQOSA-N -1 0 331.437 3.615 20 0 EHADRM CC(C)n1ncc2ccc(NC(=O)NC3(C(=O)[O-])CCCCC3)cc21 ZINC000572865705 939402900 /nfs/dbraw/zinc/40/29/00/939402900.db2.gz VKFYMHNZRKTZHV-UHFFFAOYSA-N -1 0 344.415 3.526 20 0 EHADRM C[C@H](NC(=O)NC1(C(=O)[O-])CCCCCC1)c1cccc(F)c1F ZINC000573546018 939719598 /nfs/dbraw/zinc/71/95/98/939719598.db2.gz DPMLCMPKQPJEIM-NSHDSACASA-N -1 0 340.370 3.503 20 0 EHADRM CO[C@@H]1CCC[C@H]([C@H](NC(=O)CCCC2CCCCC2)C(=O)[O-])C1 ZINC000573862185 939721955 /nfs/dbraw/zinc/72/19/55/939721955.db2.gz DSFUYHXZKKWARC-JZXOWHBKSA-N -1 0 339.476 3.512 20 0 EHADRM O=C(C=C1CCSCC1)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC000910938097 939761800 /nfs/dbraw/zinc/76/18/00/939761800.db2.gz VUFVHMNVFCYDEZ-SFHVURJKSA-N -1 0 341.432 3.535 20 0 EHADRM O=C([O-])C1(NC(=O)c2cc3cc(C(F)(F)F)ccc3s2)CCC1 ZINC000581380783 939777479 /nfs/dbraw/zinc/77/74/79/939777479.db2.gz FKSFWMUIFCJJCC-UHFFFAOYSA-N -1 0 343.326 3.657 20 0 EHADRM CCSCc1cccc(NC(=O)NC2(C(=O)[O-])CCCCC2)c1 ZINC000581843399 939780569 /nfs/dbraw/zinc/78/05/69/939780569.db2.gz APVNJSBHAGZSRB-UHFFFAOYSA-N -1 0 336.457 3.849 20 0 EHADRM O=C([O-])[C@H](NC(=O)N[C@@H]1C=CCCC1)c1ccc(Cl)cc1Cl ZINC000584758393 939799523 /nfs/dbraw/zinc/79/95/23/939799523.db2.gz UTSNWDBSQHWZOX-ZWNOBZJWSA-N -1 0 343.210 3.527 20 0 EHADRM O=C([O-])[C@@H](NC(=O)N[C@@H]1C=CCCC1)c1ccc(Cl)cc1Cl ZINC000584758392 939799547 /nfs/dbraw/zinc/79/95/47/939799547.db2.gz UTSNWDBSQHWZOX-MFKMUULPSA-N -1 0 343.210 3.527 20 0 EHADRM O=C([O-])C1(NC(=O)Cc2coc3cc(Cl)ccc23)CCCCC1 ZINC000630097902 939811456 /nfs/dbraw/zinc/81/14/56/939811456.db2.gz NBZJMGZPGGVDIU-UHFFFAOYSA-N -1 0 335.787 3.532 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)Nc2cccc(C(C)(F)F)c2)(C(=O)[O-])CC1 ZINC000656505466 939843763 /nfs/dbraw/zinc/84/37/63/939843763.db2.gz GLXGCJIJXRMKMZ-QQVUYCAZSA-N -1 0 340.370 3.953 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1cccc(CC(F)(F)F)c1)C1CCCC1 ZINC000663083118 939853392 /nfs/dbraw/zinc/85/33/92/939853392.db2.gz QLTJDGLSJKTECY-CYBMUJFWSA-N -1 0 329.318 3.621 20 0 EHADRM C[C@](NC(=O)C[C@@H]1CCCc2ccccc21)(C(=O)[O-])c1ccccc1 ZINC000675980547 939864864 /nfs/dbraw/zinc/86/48/64/939864864.db2.gz VVLMEZGCBUJZQN-HRAATJIYSA-N -1 0 337.419 3.613 20 0 EHADRM C[C@@](NC(=O)C[C@@H]1CCCc2ccccc21)(C(=O)[O-])c1ccccc1 ZINC000675980550 939864996 /nfs/dbraw/zinc/86/49/96/939864996.db2.gz VVLMEZGCBUJZQN-KKSFZXQISA-N -1 0 337.419 3.613 20 0 EHADRM O=C([O-])[C@]1(NC(=O)CC/C=C/c2ccccc2)CCc2ccccc21 ZINC000675990276 939867412 /nfs/dbraw/zinc/86/74/12/939867412.db2.gz VABBDCZGDGYACU-TVIPLOHISA-N -1 0 335.403 3.523 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000678987956 939869346 /nfs/dbraw/zinc/86/93/46/939869346.db2.gz VHOGCUZTSHUFGV-YJYMSZOUSA-N -1 0 343.398 3.824 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Oc2ccc(N3CCCC3)cc2)c1 ZINC001600113499 970769392 /nfs/dbraw/zinc/76/93/92/970769392.db2.gz ZSPCXSRKZAQDDU-UHFFFAOYSA-N -1 0 325.364 3.513 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)CSCc2cccs2)c2ccccc21 ZINC000321468217 970774227 /nfs/dbraw/zinc/77/42/27/970774227.db2.gz SUTKAKRIRSEDCL-GFCCVEGCSA-N -1 0 347.461 3.586 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC001610991519 970835923 /nfs/dbraw/zinc/83/59/23/970835923.db2.gz SVZONXVRTWCMTK-UONOGXRCSA-N -1 0 334.416 3.503 20 0 EHADRM O=C([O-])[C@@H]1CCN(CCOc2ccccc2Cl)c2ccccc21 ZINC000322685258 970918975 /nfs/dbraw/zinc/91/89/75/970918975.db2.gz KPQDKAIETAWQBJ-CQSZACIVSA-N -1 0 331.799 3.797 20 0 EHADRM Cc1c(C(=O)Nc2ccc(C(=O)[O-])nc2)sc2cccc(F)c12 ZINC000322845089 970935221 /nfs/dbraw/zinc/93/52/21/970935221.db2.gz MGJNWXTZCAXECG-UHFFFAOYSA-N -1 0 330.340 3.694 20 0 EHADRM CCOc1ccccc1CCC(=O)Nc1c(C)csc1C(=O)[O-] ZINC000323278961 970984999 /nfs/dbraw/zinc/98/49/99/970984999.db2.gz KXBMMGDWPGWCBA-UHFFFAOYSA-N -1 0 333.409 3.725 20 0 EHADRM Cc1cc(OCc2ccc(F)cc2C(=O)[O-])c(Cl)cc1[N+](=O)[O-] ZINC000323459349 971007272 /nfs/dbraw/zinc/00/72/72/971007272.db2.gz IJMKUWGQKKSNDB-UHFFFAOYSA-N -1 0 339.706 3.973 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)CCOc1ccc(C)c(C)c1 ZINC000323552207 971014986 /nfs/dbraw/zinc/01/49/86/971014986.db2.gz OXAWVDHFDLCKSP-UHFFFAOYSA-N -1 0 333.409 3.779 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1ccc(OCC(F)(F)F)cc1 ZINC001601634957 971035185 /nfs/dbraw/zinc/03/51/85/971035185.db2.gz GNMDBCJLWMRDDF-UHFFFAOYSA-N -1 0 345.298 3.640 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)NC(C2CCCCC2)C2CCCCC2)C1 ZINC001601822072 971054794 /nfs/dbraw/zinc/05/47/94/971054794.db2.gz TWGALEGQNOTFFN-INIZCTEOSA-N -1 0 336.476 3.632 20 0 EHADRM CN(C)c1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)cc1 ZINC000324064636 971080020 /nfs/dbraw/zinc/08/00/20/971080020.db2.gz FDKXUKXPXSKNJD-UHFFFAOYSA-N -1 0 344.436 3.643 20 0 EHADRM O=C([O-])CCC(=O)Nc1ccc2[nH]c(-c3ccccc3Cl)nc2c1 ZINC001601970185 971094081 /nfs/dbraw/zinc/09/40/81/971094081.db2.gz DHLYYKCQZWRJFA-UHFFFAOYSA-N -1 0 343.770 3.687 20 0 EHADRM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000324558704 971132668 /nfs/dbraw/zinc/13/26/68/971132668.db2.gz OVCKZTLUKDWDKM-LBPRGKRZSA-N -1 0 339.382 3.909 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)NC[C@@H]2CCc3ccccc32)c1 ZINC001602042917 971127422 /nfs/dbraw/zinc/12/74/22/971127422.db2.gz ITVOQYAVWDNATJ-INIZCTEOSA-N -1 0 338.407 3.555 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2c[nH]c3cccc(F)c23)c1 ZINC001602043802 971129830 /nfs/dbraw/zinc/12/98/30/971129830.db2.gz GBUXZCGYXSLSDC-UHFFFAOYSA-N -1 0 326.327 3.577 20 0 EHADRM CC1(C)CCCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC000324568257 971133771 /nfs/dbraw/zinc/13/37/71/971133771.db2.gz UQPMYSVUBKHMTK-UHFFFAOYSA-N -1 0 326.343 3.707 20 0 EHADRM Cc1ccc(N(C)CCOc2ccc(/C=C/C(=O)[O-])cc2)c(C)c1 ZINC000324596203 971137032 /nfs/dbraw/zinc/13/70/32/971137032.db2.gz SCRVLHSCVPJIPF-YRNVUSSQSA-N -1 0 325.408 3.916 20 0 EHADRM C[C@H]1CCC[C@H](N(C)C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000324590121 971137300 /nfs/dbraw/zinc/13/73/00/971137300.db2.gz ZIEWTYRSXUGNPU-UWVGGRQHSA-N -1 0 326.343 3.705 20 0 EHADRM CCN(C(=O)c1ccc(Oc2ccccc2)cc1)C(C)(C)C(=O)[O-] ZINC000324640320 971141778 /nfs/dbraw/zinc/14/17/78/971141778.db2.gz UHHYQWFEQKJLNN-UHFFFAOYSA-N -1 0 327.380 3.804 20 0 EHADRM Cc1c(NC(=O)C(C)(C)Oc2ccc(F)cc2)cccc1C(=O)[O-] ZINC000324856468 971164299 /nfs/dbraw/zinc/16/42/99/971164299.db2.gz GOYLCUPOPSEDPD-UHFFFAOYSA-N -1 0 331.343 3.628 20 0 EHADRM Cc1ccccc1N(CCC(=O)[O-])C(=O)c1cc(F)c(F)c(F)c1 ZINC000324945536 971172302 /nfs/dbraw/zinc/17/23/02/971172302.db2.gz YXHBWYQLNXIMFM-UHFFFAOYSA-N -1 0 337.297 3.534 20 0 EHADRM COc1cc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc(OC)c1C ZINC000325092014 971184592 /nfs/dbraw/zinc/18/45/92/971184592.db2.gz MAYLHAYWGMNGCU-UHFFFAOYSA-N -1 0 349.770 3.616 20 0 EHADRM Cc1cc([C@H](C)NC(=O)NCc2ccccc2CC(=O)[O-])c(C)s1 ZINC000325183713 971192346 /nfs/dbraw/zinc/19/23/46/971192346.db2.gz AXXKHYFLOGTIEO-LBPRGKRZSA-N -1 0 346.452 3.552 20 0 EHADRM O=C([O-])c1cccc(CNc2ccccc2[C@@H](O)C(F)(F)F)c1 ZINC001602437791 971198206 /nfs/dbraw/zinc/19/82/06/971198206.db2.gz RLQOXJCNMOLXHU-CQSZACIVSA-N -1 0 325.286 3.593 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)N(CC(C)C)C2CCCC2)c1 ZINC000325354465 971207976 /nfs/dbraw/zinc/20/79/76/971207976.db2.gz GEASTLIJFCBLON-UHFFFAOYSA-N -1 0 334.416 3.826 20 0 EHADRM O=C([O-])Cc1ccccc1CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000325354148 971206559 /nfs/dbraw/zinc/20/65/59/971206559.db2.gz LOIFHXOEJJAQIU-YQQAZPJKSA-N -1 0 329.440 3.536 20 0 EHADRM CC(C)c1ccc(OCC(=O)Nc2c(F)cccc2C(=O)[O-])cc1 ZINC000325400695 971212510 /nfs/dbraw/zinc/21/25/10/971212510.db2.gz GMLYGEDFHVLONW-UHFFFAOYSA-N -1 0 331.343 3.665 20 0 EHADRM O=C([O-])[C@H]1CCN(CCCOc2ccc(F)cc2)c2ccccc21 ZINC000325447281 971217148 /nfs/dbraw/zinc/21/71/48/971217148.db2.gz WLVGFZRLPCAJPO-KRWDZBQOSA-N -1 0 329.371 3.673 20 0 EHADRM CC1(C)CC(=O)c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2O1 ZINC000325528578 971223889 /nfs/dbraw/zinc/22/38/89/971223889.db2.gz KUWMJJMGYHVYEQ-UHFFFAOYSA-N -1 0 326.348 3.708 20 0 EHADRM CC(C)[C@@H]1CCCN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CC1 ZINC000325542939 971225118 /nfs/dbraw/zinc/22/51/18/971225118.db2.gz HCUKYYZHTAHUSF-LLVKDONJSA-N -1 0 340.370 3.953 20 0 EHADRM C[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000325568899 971227380 /nfs/dbraw/zinc/22/73/80/971227380.db2.gz YLRIGZBUIGSWGW-LBPRGKRZSA-N -1 0 347.798 3.763 20 0 EHADRM CC(C)CCC[C@H](C)NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000325770405 971241933 /nfs/dbraw/zinc/24/19/33/971241933.db2.gz UCJFDNUKPSACNG-YOEHRIQHSA-N -1 0 332.444 3.595 20 0 EHADRM CC[C@H](CNC(=O)Nc1ccccc1Cc1ccccc1)C(=O)[O-] ZINC000325798810 971243638 /nfs/dbraw/zinc/24/36/38/971243638.db2.gz NSKGZFBLHVQJOU-OAHLLOKOSA-N -1 0 326.396 3.510 20 0 EHADRM CCCCOc1ccc(C(=O)Nc2c(F)cccc2C(=O)[O-])cc1 ZINC000325816991 971246042 /nfs/dbraw/zinc/24/60/42/971246042.db2.gz SHSPBOCZWXNWKP-UHFFFAOYSA-N -1 0 331.343 3.955 20 0 EHADRM COc1ccc([C@H](C)NC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000325911275 971254257 /nfs/dbraw/zinc/25/42/57/971254257.db2.gz YBWSFMUJTJUSAK-JTQLQIEISA-N -1 0 348.786 3.930 20 0 EHADRM O=C([O-])c1nn(-c2ccccc2)cc1OCc1ccc(Cl)cc1F ZINC000325908785 971254465 /nfs/dbraw/zinc/25/44/65/971254465.db2.gz REGHCVPCNYVUCY-UHFFFAOYSA-N -1 0 346.745 3.942 20 0 EHADRM CCc1cc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cc(Cl)n1 ZINC000326242536 971276300 /nfs/dbraw/zinc/27/63/00/971276300.db2.gz YBDCTUSNFAYUOY-LBPRGKRZSA-N -1 0 344.798 3.516 20 0 EHADRM CC(C)(C)c1cc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc(Cl)n1 ZINC000326328112 971283976 /nfs/dbraw/zinc/28/39/76/971283976.db2.gz XDACYIYUPJOHCI-OAHLLOKOSA-N -1 0 346.814 3.588 20 0 EHADRM CC(C)c1ccc(CNC(=O)Nc2cccc(OCC(=O)[O-])c2)cc1 ZINC000326378706 971287240 /nfs/dbraw/zinc/28/72/40/971287240.db2.gz HTCSYNALCRRLSD-UHFFFAOYSA-N -1 0 342.395 3.595 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)[C@H]2CCCc3ccccc32)c1F ZINC000326722727 971321584 /nfs/dbraw/zinc/32/15/84/971321584.db2.gz CUCMXHPXJLBKAD-LBPRGKRZSA-N -1 0 331.318 3.722 20 0 EHADRM CC(C)OCc1ccc(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)cc1 ZINC000326920834 971345966 /nfs/dbraw/zinc/34/59/66/971345966.db2.gz PUGVUOIGCHOVGK-UHFFFAOYSA-N -1 0 349.333 3.840 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CC[C@@H](c3ccccc3)C2)c(F)cc1F ZINC000327344774 971389693 /nfs/dbraw/zinc/38/96/93/971389693.db2.gz FTXPVMNBVLOCFG-GFCCVEGCSA-N -1 0 346.333 3.684 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc(-c3ccccc3)on2)c(F)cc1F ZINC000327393900 971395579 /nfs/dbraw/zinc/39/55/79/971395579.db2.gz SJGFFSGYZPVIQP-UHFFFAOYSA-N -1 0 344.273 3.570 20 0 EHADRM CCc1ccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c(C(=O)[O-])c1 ZINC000327683944 971418442 /nfs/dbraw/zinc/41/84/42/971418442.db2.gz FSAJIWOMLPHLAF-POHAHGRESA-N -1 0 340.335 3.507 20 0 EHADRM O=C([O-])c1ccc(COc2ccc([N+](=O)[O-])c3ncccc23)cc1F ZINC000327863684 971429747 /nfs/dbraw/zinc/42/97/47/971429747.db2.gz LFLWFEOYFKIHIR-UHFFFAOYSA-N -1 0 342.282 3.559 20 0 EHADRM CC(C)(CCNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)C1CC1 ZINC000328561465 971503083 /nfs/dbraw/zinc/50/30/83/971503083.db2.gz GPGSWFQETICDDC-UHFFFAOYSA-N -1 0 332.444 3.997 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1cccnc1C(=O)[O-] ZINC001589561137 948809324 /nfs/dbraw/zinc/80/93/24/948809324.db2.gz IOXHMEWSOSDHMC-OAHLLOKOSA-N -1 0 341.411 3.573 20 0 EHADRM CC(C)COc1ccccc1[C@@H](CC(C)C)NC(=O)CCC(=O)[O-] ZINC000338200079 971516142 /nfs/dbraw/zinc/51/61/42/971516142.db2.gz OTJFSYYXYLXAEL-MRXNPFEDSA-N -1 0 335.444 3.790 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2cc(-c3cccs3)on2)c1 ZINC000336877047 971516194 /nfs/dbraw/zinc/51/61/94/971516194.db2.gz MRAOHMFUQDZMPU-UHFFFAOYSA-N -1 0 342.376 3.673 20 0 EHADRM CCCC[C@@H](NC(=O)c1ccccc1Oc1ccccc1)C(=O)[O-] ZINC000345213325 971519042 /nfs/dbraw/zinc/51/90/42/971519042.db2.gz PRNDZPSDBMHCNG-MRXNPFEDSA-N -1 0 327.380 3.852 20 0 EHADRM CCCC[C@@H](NC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000347264813 971522707 /nfs/dbraw/zinc/52/27/07/971522707.db2.gz SUVPHYYTFIXLOE-BXUZGUMPSA-N -1 0 345.361 3.644 20 0 EHADRM C[C@@H](NC(=O)Cc1ccccc1C(=O)[O-])c1ccc(F)cc1Cl ZINC000347340326 971524262 /nfs/dbraw/zinc/52/42/62/971524262.db2.gz FLCAIOAQQHYLLG-SNVBAGLBSA-N -1 0 335.762 3.597 20 0 EHADRM CCSCc1ccc(C(=O)Nc2cccc(OCC(=O)[O-])c2)cc1 ZINC000347344932 971524301 /nfs/dbraw/zinc/52/43/01/971524301.db2.gz KXPVWXVGPNECTL-UHFFFAOYSA-N -1 0 345.420 3.655 20 0 EHADRM Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000347398537 971525092 /nfs/dbraw/zinc/52/50/92/971525092.db2.gz UGCWXMHGMHVIBT-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM CCCN(C(=O)c1cc(C(=O)[O-])co1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000352390200 971529073 /nfs/dbraw/zinc/52/90/73/971529073.db2.gz CLLPKKMFDUBNRI-HOTGVXAUSA-N -1 0 349.427 3.568 20 0 EHADRM CCN(C(=O)c1ccc(C(=O)[O-])cc1F)[C@@H](C)c1ccc(F)cc1 ZINC000358597974 971530993 /nfs/dbraw/zinc/53/09/93/971530993.db2.gz XQTDNWMVFGKSES-NSHDSACASA-N -1 0 333.334 3.886 20 0 EHADRM COCc1cccc(NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])c1 ZINC000362490361 971534970 /nfs/dbraw/zinc/53/49/70/971534970.db2.gz REPQALKBAARIIP-GFCCVEGCSA-N -1 0 345.420 3.651 20 0 EHADRM CCOc1cccc(CNc2cccc(C(=O)[O-])c2OC(C)C)n1 ZINC000362345618 971535150 /nfs/dbraw/zinc/53/51/50/971535150.db2.gz HLWDYGYOCGSEGW-UHFFFAOYSA-N -1 0 330.384 3.578 20 0 EHADRM CSc1ccc(C)c(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000347847581 971525998 /nfs/dbraw/zinc/52/59/98/971525998.db2.gz FHHKPHNUYJODHD-MRXNPFEDSA-N -1 0 347.411 3.802 20 0 EHADRM C[C@@H](C(=O)Nc1sccc1C(=O)[O-])c1cn(C)c2ccccc12 ZINC001602796327 971560486 /nfs/dbraw/zinc/56/04/86/971560486.db2.gz YGCXZWHGEWUENJ-SNVBAGLBSA-N -1 0 328.393 3.680 20 0 EHADRM O=C([O-])c1ccc(CNc2ccc([C@H](O)C(F)(F)F)cc2)cc1 ZINC001595232621 949361771 /nfs/dbraw/zinc/36/17/71/949361771.db2.gz NNIUQAJAIDUTJQ-AWEZNQCLSA-N -1 0 325.286 3.593 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC001595233784 949377843 /nfs/dbraw/zinc/37/78/43/949377843.db2.gz PQWKZTFXNYGARO-UHFFFAOYSA-N -1 0 340.253 3.640 20 0 EHADRM CC[C@H]1CCCC[C@@H]1N(C)C(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001589620958 949409260 /nfs/dbraw/zinc/40/92/60/949409260.db2.gz DPYRDULHUAXJFT-JYJNAYRXSA-N -1 0 326.481 3.734 20 0 EHADRM CC[C@@H]1CCCCCN1C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001589621044 949411537 /nfs/dbraw/zinc/41/15/37/949411537.db2.gz HAJMLRNJARBCFU-XYPHTWIQSA-N -1 0 330.428 3.664 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)N2CCC[C@@H]2C2CCCCC2)c1 ZINC001595243469 949491397 /nfs/dbraw/zinc/49/13/97/949491397.db2.gz CDWSCJXPGWQUKO-QGZVFWFLSA-N -1 0 330.428 3.639 20 0 EHADRM C[C@H](C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccc(Cl)s1 ZINC000191209310 949506817 /nfs/dbraw/zinc/50/68/17/949506817.db2.gz NHQRHOTXGJAXDV-QWRGUYRKSA-N -1 0 329.849 3.608 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CCCSc2ccc(F)cc21 ZINC001595253842 949568966 /nfs/dbraw/zinc/56/89/66/949568966.db2.gz DFHHKAUKROLDHY-UHFFFAOYSA-N -1 0 345.395 3.595 20 0 EHADRM CCC[C@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)C(C)(C)C ZINC001589633932 949584230 /nfs/dbraw/zinc/58/42/30/949584230.db2.gz JKERCELETRCZBO-BBWFWOEESA-N -1 0 346.471 3.711 20 0 EHADRM CCC[C@@H]1CCc2nc(NC(=O)C3(CC(=O)[O-])CCC3)sc2C1 ZINC001589638793 949644704 /nfs/dbraw/zinc/64/47/04/949644704.db2.gz FMSMGWMISNKMSA-LLVKDONJSA-N -1 0 336.457 3.632 20 0 EHADRM CCCC[C@@H]1CCC[C@@H]1NC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001589639734 949670919 /nfs/dbraw/zinc/67/09/19/949670919.db2.gz JRZBPDMRNQCPRF-OLMNPRSZSA-N -1 0 344.455 3.739 20 0 EHADRM CCCC[C@@H](CC)CNC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589640897 949687437 /nfs/dbraw/zinc/68/74/37/949687437.db2.gz LTPUCCXHBODBKW-LJISPDSOSA-N -1 0 326.481 3.637 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)[C@@H]2CC[C@@H]2c2ccc(Cl)cc2F)c1 ZINC001595262910 949706399 /nfs/dbraw/zinc/70/63/99/949706399.db2.gz ZPURCUBOJYYPFZ-DGCLKSJQSA-N -1 0 348.761 3.705 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)O[C@H](c1ccc2ccccc2c1)C(F)(F)F ZINC001602810732 971601788 /nfs/dbraw/zinc/60/17/88/971601788.db2.gz RQSYRLJSMZECBC-TVQRCGJNSA-N -1 0 326.270 3.707 20 0 EHADRM O=C([O-])c1cncc(NC(=O)[C@@H]2CC[C@@H]2c2ccc(Cl)cc2F)c1 ZINC001595271753 949836741 /nfs/dbraw/zinc/83/67/41/949836741.db2.gz XSLNNFXKCGJOHC-TZMCWYRMSA-N -1 0 348.761 3.705 20 0 EHADRM O=C([O-])c1ccc(Br)c(NC(=O)CCc2ccccc2)c1 ZINC000236476673 949916069 /nfs/dbraw/zinc/91/60/69/949916069.db2.gz ZTIUVXXLJLZQCG-UHFFFAOYSA-N -1 0 348.196 3.719 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)OCc2ccc(SC(F)F)cc2)C1 ZINC001595277154 949930373 /nfs/dbraw/zinc/93/03/73/949930373.db2.gz WUPZEPJXJLWYHU-MNOVXSKESA-N -1 0 330.352 3.545 20 0 EHADRM CCC(CC)(CNC(=O)c1ccc(Oc2ccccc2)o1)C(=O)[O-] ZINC000236892139 949941846 /nfs/dbraw/zinc/94/18/46/949941846.db2.gz UQOXOQMFSJCXQM-UHFFFAOYSA-N -1 0 331.368 3.693 20 0 EHADRM O=C([O-])c1ccc(C(=O)Oc2ccc(OCc3ccccc3)cc2)cn1 ZINC001595277890 949943315 /nfs/dbraw/zinc/94/33/15/949943315.db2.gz RKUHDCKMNYMCRU-UHFFFAOYSA-N -1 0 349.342 3.578 20 0 EHADRM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCCCCCC(=O)[O-] ZINC000237508242 949965206 /nfs/dbraw/zinc/96/52/06/949965206.db2.gz NMUYHFWDSYJTCF-CQSZACIVSA-N -1 0 335.444 3.513 20 0 EHADRM C[C@H](NC(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)C(=O)[O-] ZINC000237575645 949969113 /nfs/dbraw/zinc/96/91/13/949969113.db2.gz ZZPZNCLSUVLWPR-PCYYEKQGSA-N -1 0 335.812 3.671 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1C ZINC000237834351 949979034 /nfs/dbraw/zinc/97/90/34/949979034.db2.gz LOWAMPDGCKPVNU-KRWDZBQOSA-N -1 0 345.439 3.512 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1cccc(OCc2cccs2)c1 ZINC000238164990 949993827 /nfs/dbraw/zinc/99/38/27/949993827.db2.gz AWKUWBBHJXKASF-UHFFFAOYSA-N -1 0 347.436 3.702 20 0 EHADRM C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC000262001835 950054233 /nfs/dbraw/zinc/05/42/33/950054233.db2.gz DNZRCCBXRPOPDN-JFUSQASVSA-N -1 0 342.222 3.550 20 0 EHADRM CCCOc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1F ZINC001589681601 950054625 /nfs/dbraw/zinc/05/46/25/950054625.db2.gz VMVNGLBGDKCAKL-INIZCTEOSA-N -1 0 346.358 3.562 20 0 EHADRM Cc1c(C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)oc2c1c(C)ccc2C ZINC000262834693 950170672 /nfs/dbraw/zinc/17/06/72/950170672.db2.gz CLUXEEVHLXJVQB-OCCSQVGLSA-N -1 0 329.396 3.541 20 0 EHADRM CCN(C(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1)[C@@H](C)C(=O)[O-] ZINC001589703658 950254448 /nfs/dbraw/zinc/25/44/48/950254448.db2.gz RSJBGQKXPWSJAL-KWQFWETISA-N -1 0 336.285 3.586 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263094456 950258928 /nfs/dbraw/zinc/25/89/28/950258928.db2.gz AOMLQTGUSZJLIX-KOLCDFICSA-N -1 0 335.787 3.577 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000263249213 950340546 /nfs/dbraw/zinc/34/05/46/950340546.db2.gz SOQRWGADNUIETI-FZMZJTMJSA-N -1 0 343.345 3.507 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN1C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000263428671 950458605 /nfs/dbraw/zinc/45/86/05/950458605.db2.gz KGVUWFQXAUDODN-QGZVFWFLSA-N -1 0 333.384 3.634 20 0 EHADRM Cc1ccc(Oc2ccccc2NC(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC000263465989 950475848 /nfs/dbraw/zinc/47/58/48/950475848.db2.gz GGBPSNRSCUKCJJ-AWEZNQCLSA-N -1 0 340.379 3.726 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000263502842 950493688 /nfs/dbraw/zinc/49/36/88/950493688.db2.gz LFNQYWRBQBBZSY-ONGXEEELSA-N -1 0 347.358 3.624 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000263522415 950502614 /nfs/dbraw/zinc/50/26/14/950502614.db2.gz RRXTUYGVWFZVMY-GXSJLCMTSA-N -1 0 335.787 3.720 20 0 EHADRM O=C([O-])C1CN(Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C1 ZINC000263535290 950505000 /nfs/dbraw/zinc/50/50/00/950505000.db2.gz YXGDZDBJLIBUHH-UHFFFAOYSA-N -1 0 343.235 3.633 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc3c(s2)CC[C@@H](C)C3)C1 ZINC000320497033 950990756 /nfs/dbraw/zinc/99/07/56/950990756.db2.gz XFSYDDPXJVYIKD-KZULUSFZSA-N -1 0 335.469 3.590 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)[C@]1(C)CCc2ccccc2C1)C(=O)[O-] ZINC001602859435 971710663 /nfs/dbraw/zinc/71/06/63/971710663.db2.gz LDHAPQQUBWOKBT-OXJNMPFZSA-N -1 0 331.456 3.577 20 0 EHADRM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)ccc1C(=O)[O-] ZINC000323082097 951042353 /nfs/dbraw/zinc/04/23/53/951042353.db2.gz SDMICLQOGSHWTB-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)c2csc(C3CCCCC3)n2)C1 ZINC001594993288 951054836 /nfs/dbraw/zinc/05/48/36/951054836.db2.gz YDDKZZOVROZOOL-GFCCVEGCSA-N -1 0 336.457 3.518 20 0 EHADRM CC(C)COc1cccc(C(=O)NC2(C(=O)[O-])CCCCCC2)c1 ZINC000323877013 951056188 /nfs/dbraw/zinc/05/61/88/951056188.db2.gz JZUXVSAKNMBLTN-UHFFFAOYSA-N -1 0 333.428 3.629 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2ccc(OC(F)F)cc2)c1 ZINC000325847970 951094649 /nfs/dbraw/zinc/09/46/49/951094649.db2.gz DWMHTQFSRWYUAL-UHFFFAOYSA-N -1 0 335.306 3.558 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)c1ccnc2ccccc21 ZINC000327011021 951107365 /nfs/dbraw/zinc/10/73/65/951107365.db2.gz GBGXRLVRIZPXJD-UHFFFAOYSA-N -1 0 332.359 3.526 20 0 EHADRM CCC(CC)(CNC(=O)N[C@H](C)c1ccc(Cl)cc1)C(=O)[O-] ZINC000336854821 951131362 /nfs/dbraw/zinc/13/13/62/951131362.db2.gz SCBILQHLVQAXEO-LLVKDONJSA-N -1 0 326.824 3.591 20 0 EHADRM CN(Cc1cccc2ccccc21)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000345768830 951133238 /nfs/dbraw/zinc/13/32/38/951133238.db2.gz BMEDULXTAOVJCP-UHFFFAOYSA-N -1 0 349.386 3.575 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2Cl)CC[C@H]1C(=O)[O-] ZINC000385698816 951283356 /nfs/dbraw/zinc/28/33/56/951283356.db2.gz HUJULZKKVSZGBQ-PSASIEDQSA-N -1 0 331.199 3.568 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)CCSc1ccccc1Cl ZINC000386822253 951304113 /nfs/dbraw/zinc/30/41/13/951304113.db2.gz RZIYRVHWKVEXCG-GFCCVEGCSA-N -1 0 341.860 3.678 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2nc(Cl)ccc2Cl)c1 ZINC000389930397 951364294 /nfs/dbraw/zinc/36/42/94/951364294.db2.gz YNYVNEMJBORENI-UHFFFAOYSA-N -1 0 339.178 3.658 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000391346616 951396084 /nfs/dbraw/zinc/39/60/84/951396084.db2.gz UYGMEKIFRRVHAR-VXGBXAGGSA-N -1 0 329.318 3.621 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1c(-c2cccc(F)c2)n[nH]c1C1CC1 ZINC001595035082 951399550 /nfs/dbraw/zinc/39/95/50/951399550.db2.gz WXJOVIQACRWAHB-UHFFFAOYSA-N -1 0 345.374 3.677 20 0 EHADRM CSc1ccccc1NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000392436599 951421114 /nfs/dbraw/zinc/42/11/14/951421114.db2.gz OMLRTWXNVKOAKQ-AWEZNQCLSA-N -1 0 342.420 3.624 20 0 EHADRM O=C([O-])CCC1CCN(Cc2cccc(Br)c2F)CC1 ZINC000394786532 951455826 /nfs/dbraw/zinc/45/58/26/951455826.db2.gz UOQVXOQDMFOJFV-UHFFFAOYSA-N -1 0 344.224 3.665 20 0 EHADRM O=C([O-])[C@@H](NCc1c(F)cccc1Br)c1ccccc1 ZINC000394764654 951456554 /nfs/dbraw/zinc/45/65/54/951456554.db2.gz ZKEOJNPEOOCGQL-AWEZNQCLSA-N -1 0 338.176 3.504 20 0 EHADRM O=C([O-])CCNC(=O)N[C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC001595059121 951509690 /nfs/dbraw/zinc/50/96/90/951509690.db2.gz TZOUREOBQROTMT-HUUCEWRRSA-N -1 0 338.835 3.530 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc3c(s2)CCCCCC3)C1 ZINC000399073974 951631681 /nfs/dbraw/zinc/63/16/81/951631681.db2.gz RGLBQPLITIACBZ-JSGCOSHPSA-N -1 0 335.469 3.590 20 0 EHADRM Cc1ccc(S(=O)(=O)Cc2cccc(C(=O)[O-])c2Cl)cc1C ZINC000381594084 971765545 /nfs/dbraw/zinc/76/55/45/971765545.db2.gz FAOCZCZNQBJGKT-UHFFFAOYSA-N -1 0 338.812 3.629 20 0 EHADRM O=C([O-])Cc1cccc(NCc2coc(-c3ccccc3F)n2)c1 ZINC001595138477 952069411 /nfs/dbraw/zinc/06/94/11/952069411.db2.gz POFPFTKDAHCPRM-UHFFFAOYSA-N -1 0 326.327 3.720 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC001595177907 952241790 /nfs/dbraw/zinc/24/17/90/952241790.db2.gz VKVHNVBWJJZKCU-LJBYYNBDSA-N -1 0 327.424 3.582 20 0 EHADRM CC(C)(C)OC(=O)NCCCCCCS[C@@H](C(=O)[O-])C1CC1 ZINC001602904780 971842971 /nfs/dbraw/zinc/84/29/71/971842971.db2.gz BZTMSLHJKKPUCZ-CYBMUJFWSA-N -1 0 331.478 3.668 20 0 EHADRM CC(C)(C)OC1CCN(C(=O)Nc2cccc(CCC(=O)[O-])c2)CC1 ZINC001602916200 971871685 /nfs/dbraw/zinc/87/16/85/971871685.db2.gz YGNYCZIFLVJLFO-UHFFFAOYSA-N -1 0 348.443 3.515 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)N(Cc2ccccc2)C2CC2)c1 ZINC000383577725 971877351 /nfs/dbraw/zinc/87/73/51/971877351.db2.gz NXYADBIHXFXAHN-UHFFFAOYSA-N -1 0 328.343 3.720 20 0 EHADRM CC(C)(C)c1ccc(C(F)(F)C(=O)NC2(CC(=O)[O-])CCC2)cc1 ZINC001602923115 971885213 /nfs/dbraw/zinc/88/52/13/971885213.db2.gz RWAZVARYIWYSFL-UHFFFAOYSA-N -1 0 339.382 3.590 20 0 EHADRM CCSCc1ccc(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1 ZINC001593597608 953382382 /nfs/dbraw/zinc/38/23/82/953382382.db2.gz NIQHEVIQUKSJAR-UHFFFAOYSA-N -1 0 331.393 3.596 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC001593598873 953395099 /nfs/dbraw/zinc/39/50/99/953395099.db2.gz ZRQAFZFDGOUOJP-LLVKDONJSA-N -1 0 328.821 3.533 20 0 EHADRM CC(C)(NC(=O)[C@@]1(C(=O)[O-])CC=CCC1)c1cccc(Cl)c1F ZINC001602950298 971926243 /nfs/dbraw/zinc/92/62/43/971926243.db2.gz LKXFYYMORGPHGR-QGZVFWFLSA-N -1 0 339.794 3.642 20 0 EHADRM O=C([O-])CCCCCNC(=O)N1CC2(CCC2)[C@H]1c1ccccc1 ZINC000414628980 953404162 /nfs/dbraw/zinc/40/41/62/953404162.db2.gz PVUUMIUTZRVTJM-QGZVFWFLSA-N -1 0 330.428 3.568 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[C@@H](C)Oc1ccc(C(C)C)c(C)c1)C(=O)[O-] ZINC001593610388 953468171 /nfs/dbraw/zinc/46/81/71/953468171.db2.gz RNPVDASAFHBUHP-QEORTHHSSA-N -1 0 335.444 3.501 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000431207098 953501107 /nfs/dbraw/zinc/50/11/07/953501107.db2.gz GCLIUPWSLZYCFT-GFCCVEGCSA-N -1 0 331.799 3.533 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000431654247 953502735 /nfs/dbraw/zinc/50/27/35/953502735.db2.gz HKVFUWVKNOJHBJ-LBPRGKRZSA-N -1 0 331.799 3.533 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)NC[C@@H]2Cc3ccccc32)c1Cl ZINC001594762359 953504853 /nfs/dbraw/zinc/50/48/53/953504853.db2.gz LBRCQVWQLRJAGD-JTQLQIEISA-N -1 0 348.761 3.639 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(SC(C)(C)C)c(F)c1)C(=O)[O-] ZINC001593619353 953520566 /nfs/dbraw/zinc/52/05/66/953520566.db2.gz PEPHKYUAOJGRKG-NSHDSACASA-N -1 0 328.409 3.701 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2cccc3c4c([nH]c32)CCCC4)cc1 ZINC000485518160 953529909 /nfs/dbraw/zinc/52/99/09/953529909.db2.gz TXLHBMGTBPLERX-UHFFFAOYSA-N -1 0 348.402 3.675 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)NCC1(c2ccccc2)CCCCCC1 ZINC000507342981 953534956 /nfs/dbraw/zinc/53/49/56/953534956.db2.gz UMEYDJUGBQDPEI-IAGOWNOFSA-N -1 0 329.440 3.506 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000516866954 953542856 /nfs/dbraw/zinc/54/28/56/953542856.db2.gz BTYKYTSKXNPGPA-ZWNOBZJWSA-N -1 0 341.860 3.635 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)Nc1nc2ccccc2s1)C(=O)[O-] ZINC000562406466 953589587 /nfs/dbraw/zinc/58/95/87/953589587.db2.gz KBAYEVSTHLBGOV-LLVKDONJSA-N -1 0 335.429 3.697 20 0 EHADRM CCSCc1ccc(NC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1 ZINC000563711569 953600114 /nfs/dbraw/zinc/60/01/14/953600114.db2.gz AGIDXFOYBWCZIF-WFASDCNBSA-N -1 0 336.457 3.514 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000564086033 953602463 /nfs/dbraw/zinc/60/24/63/953602463.db2.gz WAZSEPZECYGLJY-QGZVFWFLSA-N -1 0 327.380 3.561 20 0 EHADRM CCc1cc2c(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])csc2s1 ZINC001593634500 953604817 /nfs/dbraw/zinc/60/48/17/953604817.db2.gz ZDZPVJLSVOLOKO-ZDUSSCGKSA-N -1 0 339.482 3.683 20 0 EHADRM CCc1ccc([C@H]2CCCN(C(=O)NCCC(C)(C)C(=O)[O-])C2)cc1 ZINC001593637238 953615527 /nfs/dbraw/zinc/61/55/27/953615527.db2.gz OQLLUVQYCQWWQM-KRWDZBQOSA-N -1 0 346.471 3.639 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000565700206 953616922 /nfs/dbraw/zinc/61/69/22/953616922.db2.gz QHJKHEFCQQUOCZ-SFHVURJKSA-N -1 0 331.456 3.531 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001589293704 953624047 /nfs/dbraw/zinc/62/40/47/953624047.db2.gz QUEBNLSVTMQGEN-IASZTOCISA-N -1 0 344.455 3.511 20 0 EHADRM CCc1ccc2ccccc2c1CNC(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC001593640118 953638358 /nfs/dbraw/zinc/63/83/58/953638358.db2.gz ORWGYKMQLVQXFH-QGZVFWFLSA-N -1 0 342.439 3.558 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)Nc2cccc(CCC(=O)[O-])c2)o1 ZINC001589297078 953657663 /nfs/dbraw/zinc/65/76/63/953657663.db2.gz WWICNRFKUAFDEA-WBMJQRKESA-N -1 0 342.395 3.742 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000574638587 953680203 /nfs/dbraw/zinc/68/02/03/953680203.db2.gz YVVIADOQRRHVBE-GWCFXTLKSA-N -1 0 341.860 3.635 20 0 EHADRM CCc1cc(C)cc(CC)c1NC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000575988552 953686395 /nfs/dbraw/zinc/68/63/95/953686395.db2.gz PKSBEVDGFCFDPX-BBRMVZONSA-N -1 0 332.444 3.694 20 0 EHADRM CC[C@@H](CC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccc(OC)cc1 ZINC000576183773 953686900 /nfs/dbraw/zinc/68/69/00/953686900.db2.gz ZEDURGRXMGVJJX-INIZCTEOSA-N -1 0 347.455 3.682 20 0 EHADRM CCc1nc(C)c(C(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)o1 ZINC001593648264 953690049 /nfs/dbraw/zinc/69/00/49/953690049.db2.gz FVTMUGJKCIBIFD-QMMMGPOBSA-N -1 0 348.424 3.682 20 0 EHADRM CCc1nc(C)c(C(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)o1 ZINC001593648261 953690140 /nfs/dbraw/zinc/69/01/40/953690140.db2.gz FVTMUGJKCIBIFD-MRVPVSSYSA-N -1 0 348.424 3.682 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)C2(C(F)(F)F)CCCCC2)CC1 ZINC000577507937 953696499 /nfs/dbraw/zinc/69/64/99/953696499.db2.gz CIKNFCIIQBEQRS-UHFFFAOYSA-N -1 0 335.366 3.603 20 0 EHADRM CC[C@H](NC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000582604298 953725475 /nfs/dbraw/zinc/72/54/75/953725475.db2.gz WWXDSOFKEVWTHI-CQDKDKBSSA-N -1 0 338.835 3.543 20 0 EHADRM CCc1oc2ccccc2c1CC(=O)NCc1ccccc1C(=O)[O-] ZINC001593658189 953770238 /nfs/dbraw/zinc/77/02/38/953770238.db2.gz NNCLFWTXEIUWHK-UHFFFAOYSA-N -1 0 337.375 3.552 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2F)c1 ZINC001594809043 953798610 /nfs/dbraw/zinc/79/86/10/953798610.db2.gz JCWKKNNCIAIMRA-CVEARBPZSA-N -1 0 328.343 3.532 20 0 EHADRM CCn1c(S[C@@H](C(=O)[O-])C2CC2)nnc1-c1ccc(Cl)cc1 ZINC001593663708 953817021 /nfs/dbraw/zinc/81/70/21/953817021.db2.gz XXZNAYYJBHECSQ-GFCCVEGCSA-N -1 0 337.832 3.574 20 0 EHADRM C[C@@H]1CCC[C@H](C)N(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)C1 ZINC001589314393 953819481 /nfs/dbraw/zinc/81/94/81/953819481.db2.gz CEKIMMPUZODPNG-GFOFROLCSA-N -1 0 330.428 3.520 20 0 EHADRM C[C@@H]1CN(c2nc3cc(Cl)cc(Cl)c3o2)CC[C@@H]1C(=O)[O-] ZINC000629768979 953833162 /nfs/dbraw/zinc/83/31/62/953833162.db2.gz SFCONFTYTGOGGG-APPZFPTMSA-N -1 0 329.183 3.682 20 0 EHADRM CC(C)c1cccc(C(C)C)c1NC(=O)c1cc(C(=O)[O-])nn1C ZINC000630100791 953835067 /nfs/dbraw/zinc/83/50/67/953835067.db2.gz UCNLIKVVCOCUCE-UHFFFAOYSA-N -1 0 329.400 3.617 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(C3CCOCC3)c2)cc1 ZINC000630267543 953849551 /nfs/dbraw/zinc/84/95/51/953849551.db2.gz KJBSWZKSQDXYNJ-UHFFFAOYSA-N -1 0 325.364 3.531 20 0 EHADRM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccccc1C(=O)[O-] ZINC000630292780 953850044 /nfs/dbraw/zinc/85/00/44/953850044.db2.gz FXYBZMAMFCSAMV-MRXNPFEDSA-N -1 0 345.826 3.718 20 0 EHADRM C[C@H]1CCCC[C@H]1OCC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001589320756 953868674 /nfs/dbraw/zinc/86/86/74/953868674.db2.gz AWUNWRHNEITIDO-JOYOIKCWSA-N -1 0 343.782 3.711 20 0 EHADRM O=C([O-])c1c(NC(=O)c2cc3ccccc3cc2F)nc2ccccn21 ZINC001594818372 953887469 /nfs/dbraw/zinc/88/74/69/953887469.db2.gz PXZGEWRXILCOLN-UHFFFAOYSA-N -1 0 349.321 3.577 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000643425306 953901948 /nfs/dbraw/zinc/90/19/48/953901948.db2.gz GTJNXENFBKOMAO-QWHCGFSZSA-N -1 0 348.443 3.567 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)Nc2cc(Cl)c(Cl)cc2F)C1 ZINC000647701214 953969942 /nfs/dbraw/zinc/96/99/42/953969942.db2.gz ACNGHVRKLJPBFL-RQJHMYQMSA-N -1 0 335.162 3.507 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(Sc2ccncc2)cc1 ZINC001602970778 971979189 /nfs/dbraw/zinc/97/91/89/971979189.db2.gz UAYSJZASBFIUEL-HNNXBMFYSA-N -1 0 330.409 3.528 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1ccc(Br)c(Cl)c1 ZINC000650795091 954030998 /nfs/dbraw/zinc/03/09/98/954030998.db2.gz OMWLCRVNFHPVTO-PRHODGIISA-N -1 0 332.625 3.540 20 0 EHADRM O=C([O-])c1cnoc1COc1ccc2ccccc2c1Br ZINC000385092970 971981181 /nfs/dbraw/zinc/98/11/81/971981181.db2.gz MBBLLJPZMDZPCJ-UHFFFAOYSA-N -1 0 348.152 3.868 20 0 EHADRM O=C([O-])[C@H](NCc1ncc(-c2ccccc2F)o1)c1ccc(F)cc1 ZINC001594844537 954124286 /nfs/dbraw/zinc/12/42/86/954124286.db2.gz VKHIYMQAQOUQDJ-QGZVFWFLSA-N -1 0 344.317 3.535 20 0 EHADRM C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC3(Cl)Cl)c2C(=O)[O-])C1 ZINC001589362011 954159661 /nfs/dbraw/zinc/15/96/61/954159661.db2.gz MAKGFQJUAWZSDU-SVRRBLITSA-N -1 0 348.251 3.703 20 0 EHADRM CCCOc1cccc(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000653332354 954162562 /nfs/dbraw/zinc/16/25/62/954162562.db2.gz BOFIYJDBLDPYIT-ZWKOTPCHSA-N -1 0 339.391 3.518 20 0 EHADRM O=C([O-])CCCCC(=O)NC(Cc1ccccc1)Cc1ccccc1 ZINC000655551171 954199431 /nfs/dbraw/zinc/19/94/31/954199431.db2.gz KKHWULLQSUMVGB-UHFFFAOYSA-N -1 0 339.435 3.602 20 0 EHADRM O=C([O-])C1(C(=O)N[C@H]2CC[C@H](c3cccc(F)c3)C2)CCCCC1 ZINC001594854885 954218534 /nfs/dbraw/zinc/21/85/34/954218534.db2.gz WAZYJJPJCSJPKY-HOCLYGCPSA-N -1 0 333.403 3.613 20 0 EHADRM CC(C)[C@H](C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655585365 954227184 /nfs/dbraw/zinc/22/71/84/954227184.db2.gz WRINOMJUFCWGBQ-XBVQOTNRSA-N -1 0 331.456 3.678 20 0 EHADRM Cc1ccc(C(C)(C)C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655585353 954227667 /nfs/dbraw/zinc/22/76/67/954227667.db2.gz WMYADXZIEHRNRD-CWRNSKLLSA-N -1 0 331.456 3.524 20 0 EHADRM CC[C@H](C)[C@@H](C)N(C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1CC1 ZINC000655904536 954285861 /nfs/dbraw/zinc/28/58/61/954285861.db2.gz KNWWLLDTPISVID-PLPKTUSISA-N -1 0 338.492 3.730 20 0 EHADRM C[C@@H](Nc1ccnc(Cc2ccccc2)n1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656091719 954293943 /nfs/dbraw/zinc/29/39/43/954293943.db2.gz IBMBXALDEXQSKP-VNQPRFMTSA-N -1 0 339.439 3.615 20 0 EHADRM O=C([O-])C1(C(=O)NCc2cccc(Oc3ccccc3)c2)CC=CC1 ZINC001594863709 954302781 /nfs/dbraw/zinc/30/27/81/954302781.db2.gz UWFMGKBEHVORQC-UHFFFAOYSA-N -1 0 337.375 3.516 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccc3c(c2)C=CCCC3)C[C@H]1C(=O)[O-] ZINC000656605311 954304975 /nfs/dbraw/zinc/30/49/75/954304975.db2.gz RUCGCRUBHGUTEZ-SUMWQHHRSA-N -1 0 328.412 3.611 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC[C@H]1C(=O)[O-] ZINC001589391029 954320374 /nfs/dbraw/zinc/32/03/74/954320374.db2.gz BMYQKOGPSXYQRB-WCBMZHEXSA-N -1 0 349.736 3.542 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2ccc(Cl)c3ncccc23)CC=CCC1 ZINC001594869709 954339622 /nfs/dbraw/zinc/33/96/22/954339622.db2.gz BOEHKOAVMILPJM-QGZVFWFLSA-N -1 0 330.771 3.638 20 0 EHADRM O=C([O-])C1(CNC(=O)N2CC3(CCCC3)[C@H]2c2ccccc2)CCC1 ZINC000659426278 954349327 /nfs/dbraw/zinc/34/93/27/954349327.db2.gz RKOWUDBBCMWSMX-MRXNPFEDSA-N -1 0 342.439 3.568 20 0 EHADRM COc1ccc2cc(CN(C)C(=O)[C@H](C(=O)[O-])C(C)(C)C)ccc2c1 ZINC000663068002 954441725 /nfs/dbraw/zinc/44/17/25/954441725.db2.gz UYAJGZZPBHGUAO-QGZVFWFLSA-N -1 0 343.423 3.554 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2ccc(CCC(F)(F)F)cc2)CCC1 ZINC000663348019 954539509 /nfs/dbraw/zinc/53/95/09/954539509.db2.gz DWRFBRGLISCVEB-UHFFFAOYSA-N -1 0 344.333 3.558 20 0 EHADRM CC(C)(C)CCNC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666517645 954548309 /nfs/dbraw/zinc/54/83/09/954548309.db2.gz GJHCDCKWMGPUOC-UHFFFAOYSA-N -1 0 332.444 3.710 20 0 EHADRM C[C@@H]1CCN(C(=O)NCc2cccc(C(=O)[O-])c2)[C@H](c2ccco2)C1 ZINC000666562558 954560715 /nfs/dbraw/zinc/56/07/15/954560715.db2.gz MEPMYXMAPMVONF-CJNGLKHVSA-N -1 0 342.395 3.661 20 0 EHADRM C/C=C/c1ccc(OCC(=O)Nc2sccc2C(=O)[O-])c(OC)c1 ZINC001589420273 954594329 /nfs/dbraw/zinc/59/43/29/954594329.db2.gz OVFGBOFLTSXYTG-ONEGZZNKSA-N -1 0 347.392 3.506 20 0 EHADRM Cc1c(C(=O)N2CCCC[C@@H]2CC(=O)[O-])cccc1-c1ccccn1 ZINC000683325409 954605356 /nfs/dbraw/zinc/60/53/56/954605356.db2.gz UAUPRIXGJQTRDC-OAHLLOKOSA-N -1 0 338.407 3.526 20 0 EHADRM CCC(=O)c1ccc(NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC001589426249 954623446 /nfs/dbraw/zinc/62/34/46/954623446.db2.gz GDKVWTLNSSBFJH-TUKIKUTGSA-N -1 0 346.427 3.536 20 0 EHADRM CC[C@](C)(NC(=O)Nc1ccccc1C(=O)[O-])c1nc(C)cs1 ZINC001589451167 954800400 /nfs/dbraw/zinc/80/04/00/954800400.db2.gz NOPTYXIKHKWKBW-INIZCTEOSA-N -1 0 333.413 3.597 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C/C(=O)Nc1cccnc1C(=O)[O-] ZINC001589463504 954873809 /nfs/dbraw/zinc/87/38/09/954873809.db2.gz FBCXMCPSZFTCEQ-OCHBPSSRSA-N -1 0 340.379 3.609 20 0 EHADRM CC[C@H](CC(C)C)C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001589466862 954911063 /nfs/dbraw/zinc/91/10/63/954911063.db2.gz MGKZWPSDRXJHAE-SNVBAGLBSA-N -1 0 325.430 3.530 20 0 EHADRM Cc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)sc1C(=O)[O-] ZINC000386535910 972062342 /nfs/dbraw/zinc/06/23/42/972062342.db2.gz HZSSHQCWKNVRJH-VIFPVBQESA-N -1 0 339.800 3.814 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cccc2c(C)nccc12)C(=O)[O-] ZINC001589498116 955026112 /nfs/dbraw/zinc/02/61/12/955026112.db2.gz NKRJIDRPAGMJBM-UHFFFAOYSA-N -1 0 329.400 3.556 20 0 EHADRM CC[C@H](CN(CC)C(=O)C1(C(=O)[O-])CCSCC1)c1ccccc1 ZINC001589514561 955059939 /nfs/dbraw/zinc/05/99/39/955059939.db2.gz JPSYVTNDGQPITK-OAHLLOKOSA-N -1 0 349.496 3.627 20 0 EHADRM CC[C@@H](CNC(=O)N(Cc1ccc(C(C)C)cc1)C1CC1)C(=O)[O-] ZINC001589525305 955108715 /nfs/dbraw/zinc/10/87/15/955108715.db2.gz UUEXPBIZDQCMGH-HNNXBMFYSA-N -1 0 332.444 3.595 20 0 EHADRM C[C@@H](NC(=O)CCCC(=O)[O-])[C@@H](C)c1ccccc1C(F)(F)F ZINC000753968612 955262856 /nfs/dbraw/zinc/26/28/56/955262856.db2.gz WOTMHOLWLUJZDJ-GHMZBOCLSA-N -1 0 331.334 3.569 20 0 EHADRM O=C([O-])c1ccc(OCc2noc(-c3ccsc3)n2)c(Cl)c1 ZINC000386809486 972081871 /nfs/dbraw/zinc/08/18/71/972081871.db2.gz POACKABMRPLTAZ-UHFFFAOYSA-N -1 0 336.756 3.729 20 0 EHADRM Cc1oc(-c2cccs2)nc1C(=O)Nc1ccccc1C(=O)[O-] ZINC000777884947 955340751 /nfs/dbraw/zinc/34/07/51/955340751.db2.gz VDHUVVRBRIXASD-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM Cc1sc(NC(=O)N2CCC[C@@H]2C(=O)[O-])nc1C1CCCCC1 ZINC001594512199 955398807 /nfs/dbraw/zinc/39/88/07/955398807.db2.gz MYNGIDPJXUVSKE-GFCCVEGCSA-N -1 0 337.445 3.580 20 0 EHADRM CC1(C)CCC[C@H]1CNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000387002706 972096581 /nfs/dbraw/zinc/09/65/81/972096581.db2.gz HZPOASGGHQNHPL-VIFPVBQESA-N -1 0 326.343 3.611 20 0 EHADRM CC(C)C[C@@H](NC(=O)CCCOc1cccc2ccccc21)C(=O)[O-] ZINC001603036763 972099123 /nfs/dbraw/zinc/09/91/23/972099123.db2.gz VLYFZKYLRRHWNS-QGZVFWFLSA-N -1 0 343.423 3.614 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2nnc(C3CCCCC3)s2)c1 ZINC000842523092 955599424 /nfs/dbraw/zinc/59/94/24/955599424.db2.gz BYZKKUOWALLWHB-UHFFFAOYSA-N -1 0 331.397 3.536 20 0 EHADRM O=C([O-])CCCC(=O)Nc1ccc(CC[C@@H](O)c2ccccc2)cc1 ZINC000843329129 955632666 /nfs/dbraw/zinc/63/26/66/955632666.db2.gz YGXZBVQBPIWDFA-GOSISDBHSA-N -1 0 341.407 3.546 20 0 EHADRM C[C@H](CNC(=O)N[C@@H](c1cccc(Cl)c1)C1CCCC1)C(=O)[O-] ZINC001589050498 955656389 /nfs/dbraw/zinc/65/63/89/955656389.db2.gz CYOGBXPGAVWADC-IAQYHMDHSA-N -1 0 338.835 3.591 20 0 EHADRM C[C@@](CNC(=O)Nc1cscc1Cl)(C(=O)[O-])c1ccccc1 ZINC001589056828 955703109 /nfs/dbraw/zinc/70/31/09/955703109.db2.gz IFKKWZPHRXOOSW-HNNXBMFYSA-N -1 0 338.816 3.566 20 0 EHADRM Cc1cc2c(cc1C)N(C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)CC2 ZINC000848593962 955768210 /nfs/dbraw/zinc/76/82/10/955768210.db2.gz WBVBTIMXHMLYDU-CWRNSKLLSA-N -1 0 344.455 3.511 20 0 EHADRM C[C@H](CSc1ccccc1)N(C)C(=O)Cc1ccccc1C(=O)[O-] ZINC001589076920 955827505 /nfs/dbraw/zinc/82/75/05/955827505.db2.gz KDZKQAZXCWKXSY-CQSZACIVSA-N -1 0 343.448 3.567 20 0 EHADRM CC(C)c1ccc(C[C@H](C)NC(=O)Nc2cc(C(=O)[O-])ccn2)cc1 ZINC001589079686 955844207 /nfs/dbraw/zinc/84/42/07/955844207.db2.gz VWNIIZAFOKQVIF-ZDUSSCGKSA-N -1 0 341.411 3.656 20 0 EHADRM Cc1ccccc1[C@H]1CCCN1C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000864103612 955932482 /nfs/dbraw/zinc/93/24/82/955932482.db2.gz NNFSITADBKWQBT-PXUDHTSWSA-N -1 0 325.364 3.663 20 0 EHADRM CCN(C(=O)/C=C\c1ccc(C(=O)[O-])o1)[C@@H](C)c1cccc(OC)c1 ZINC000864104989 955934129 /nfs/dbraw/zinc/93/41/29/955934129.db2.gz YEIOPFLUDUAJJR-FUWURINLSA-N -1 0 343.379 3.609 20 0 EHADRM CC1(C)C[C@@H](NC(=O)/C=C/c2ccc(C(=O)[O-])o2)c2ccccc21 ZINC000864143124 955963873 /nfs/dbraw/zinc/96/38/73/955963873.db2.gz BVGUSLMFXCWRBG-TUPIDYKKSA-N -1 0 325.364 3.530 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(C)(F)F)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589117747 956105829 /nfs/dbraw/zinc/10/58/29/956105829.db2.gz RNSFLPWNFWQAPD-DDTOSNHZSA-N -1 0 339.382 3.664 20 0 EHADRM O=C([O-])CC1CCN(C(=O)/C=C\c2cc(Cl)cc(Cl)c2)CC1 ZINC000388161259 972157565 /nfs/dbraw/zinc/15/75/65/972157565.db2.gz KBGREBTZPLWVFA-UPHRSURJSA-N -1 0 342.222 3.720 20 0 EHADRM COc1cc(NC(=O)NCCCCCC(=O)[O-])cc2ccccc21 ZINC000899317149 956286453 /nfs/dbraw/zinc/28/64/53/956286453.db2.gz KYNAOMQTJCNMIQ-UHFFFAOYSA-N -1 0 330.384 3.615 20 0 EHADRM CC(C)[C@H](NC(=O)Nc1ccc(OC2CCCCC2)cc1)C(=O)[O-] ZINC001603095028 972168675 /nfs/dbraw/zinc/16/86/75/972168675.db2.gz MWWZNKPHURASQR-INIZCTEOSA-N -1 0 334.416 3.629 20 0 EHADRM C[C@H](CC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1)C(F)(F)F ZINC000901552485 956337769 /nfs/dbraw/zinc/33/77/69/956337769.db2.gz SKGUDVDUWVTVIS-LLVKDONJSA-N -1 0 343.345 3.679 20 0 EHADRM Cc1cc(N2CCCC2)ccc1NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000901717221 956436138 /nfs/dbraw/zinc/43/61/38/956436138.db2.gz IJWWIJIJQQZYCN-TWGQIWQCSA-N -1 0 340.379 3.538 20 0 EHADRM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(CC(=O)[O-])CC(C)(C)C ZINC001589168125 956440069 /nfs/dbraw/zinc/44/00/69/956440069.db2.gz WVZJOUZLMCUIHS-AWEZNQCLSA-N -1 0 349.471 3.711 20 0 EHADRM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2coc(/C=C\C(=O)[O-])c2)C1 ZINC000901857068 956504714 /nfs/dbraw/zinc/50/47/14/956504714.db2.gz IAPCAUPGIPVKOM-PZPBEODDSA-N -1 0 343.354 3.740 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC001589185099 956556715 /nfs/dbraw/zinc/55/67/15/956556715.db2.gz RXYLHEGXIBLRPH-IBGZPJMESA-N -1 0 341.432 3.593 20 0 EHADRM CSCCCCCCC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000902016870 956607573 /nfs/dbraw/zinc/60/75/73/956607573.db2.gz MWBWKRGWLPGHGM-CVEARBPZSA-N -1 0 335.469 3.729 20 0 EHADRM O=C(/C=C\Sc1ccccc1)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001594670929 956617220 /nfs/dbraw/zinc/61/72/20/956617220.db2.gz VKXUJYWTFDKGFI-JGUBBDCWSA-N -1 0 339.416 3.722 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CCC(c2ccsc2)CC1 ZINC001589201647 956638317 /nfs/dbraw/zinc/63/83/17/956638317.db2.gz XUGUBUNQXOMFPP-UHFFFAOYSA-N -1 0 335.469 3.591 20 0 EHADRM O=C([O-])[C@@H](NC(=O)/C=C/c1ccccc1C(F)(F)F)c1ccccc1 ZINC001594674478 956646990 /nfs/dbraw/zinc/64/69/90/956646990.db2.gz HFLHDHKKPIGYTL-OFAQMXQXSA-N -1 0 349.308 3.661 20 0 EHADRM CC1(C)CN(C(=O)c2coc(/C=C\C(=O)[O-])c2)[C@H]1c1cccs1 ZINC000902099228 956651299 /nfs/dbraw/zinc/65/12/99/956651299.db2.gz VJEBZBXZQRVWFL-YVACAVLKSA-N -1 0 331.393 3.662 20 0 EHADRM O=C([O-])CCc1csc(Nc2ccc(OC(F)(F)F)cc2)n1 ZINC000389013047 972202759 /nfs/dbraw/zinc/20/27/59/972202759.db2.gz KBOSRQXEBLLBGI-UHFFFAOYSA-N -1 0 332.303 3.803 20 0 EHADRM Cc1cccc(Br)c1C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000389070511 972205535 /nfs/dbraw/zinc/20/55/35/972205535.db2.gz WLSUHZNPVCBYDD-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1ccc(Cl)c(Br)c1 ZINC001589218634 956746421 /nfs/dbraw/zinc/74/64/21/956746421.db2.gz ARFQWMKYPKAXKE-ZDUSSCGKSA-N -1 0 346.608 3.542 20 0 EHADRM Cc1ccc(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1N1CCCC1 ZINC000902668274 956761336 /nfs/dbraw/zinc/76/13/36/956761336.db2.gz LIQZQGRSDMIEJH-CLFYSBASSA-N -1 0 340.379 3.538 20 0 EHADRM CC1(C)CC[C@H](C(=O)N2CC[C@@H](C(=O)[O-])C2)[C@@H](c2ccccc2)C1 ZINC001589220394 956768371 /nfs/dbraw/zinc/76/83/71/956768371.db2.gz SWRQSQWMBJASLS-IXDOHACOSA-N -1 0 329.440 3.530 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CC(C)(C)[C@H]1c1ccccc1 ZINC001589226696 956805865 /nfs/dbraw/zinc/80/58/65/956805865.db2.gz IJJFOYMDMRCUEJ-CQSZACIVSA-N -1 0 329.440 3.733 20 0 EHADRM O=C([O-])CC[C@H]1Cc2ccccc2N(C(=O)c2cc(F)ccc2F)C1 ZINC000902827935 956818621 /nfs/dbraw/zinc/81/86/21/956818621.db2.gz RZZMGTDSKOCROX-LBPRGKRZSA-N -1 0 345.345 3.649 20 0 EHADRM O=C([O-])c1cccnc1NC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC001594705134 956835103 /nfs/dbraw/zinc/83/51/03/956835103.db2.gz DRIVROYONIDBCA-UHFFFAOYSA-N -1 0 332.359 3.628 20 0 EHADRM C[C@@H](NC(=O)COc1cccc(C(=O)[O-])c1)c1ccc2ccccc2c1 ZINC000013080118 956932202 /nfs/dbraw/zinc/93/22/02/956932202.db2.gz FCFNVYLSIMRDHS-CQSZACIVSA-N -1 0 349.386 3.794 20 0 EHADRM Cc1ccc(OCC(=O)Nc2c(C)cc(C)cc2C)c(C(=O)[O-])c1 ZINC000013085691 956937779 /nfs/dbraw/zinc/93/77/79/956937779.db2.gz LTKLVIJGDLUDCP-UHFFFAOYSA-N -1 0 327.380 3.636 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)COc1ccc2ccccc2c1 ZINC000013169774 956953515 /nfs/dbraw/zinc/95/35/15/956953515.db2.gz PSVFFHJRNLNLOJ-UHFFFAOYSA-N -1 0 335.359 3.864 20 0 EHADRM Cc1ccc(OCC(=O)Nc2cc3ccccc3cc2C(=O)[O-])cc1 ZINC000013171602 956955099 /nfs/dbraw/zinc/95/50/99/956955099.db2.gz YHNCIDRFEMTGOD-UHFFFAOYSA-N -1 0 335.359 3.864 20 0 EHADRM C[C@H](Oc1ccccc1)C(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000013171486 956955252 /nfs/dbraw/zinc/95/52/52/956955252.db2.gz VGCLFWMNMXYVMF-ZDUSSCGKSA-N -1 0 335.359 3.944 20 0 EHADRM CC[C@@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1)c1ccccc1 ZINC000013179072 956962397 /nfs/dbraw/zinc/96/23/97/956962397.db2.gz QVMXNGPNELNEGA-QZTJIDSGSA-N -1 0 325.408 3.821 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2csc3c2CCCC3)cc1 ZINC000013181047 956967252 /nfs/dbraw/zinc/96/72/52/956967252.db2.gz OKDLQJQRUOLZKL-MRXNPFEDSA-N -1 0 343.448 3.881 20 0 EHADRM Cc1ccccc1-c1nc(C(=O)N2[C@H](C)CCC[C@@H]2C(=O)[O-])cs1 ZINC000905271059 956970703 /nfs/dbraw/zinc/97/07/03/956970703.db2.gz OSZZPLZDXYXXOZ-IUODEOHRSA-N -1 0 344.436 3.586 20 0 EHADRM Cc1c(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000013187176 956971658 /nfs/dbraw/zinc/97/16/58/956971658.db2.gz WZLNLANVXUMCLJ-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM O=C([O-])/C=C/c1ccc(NCc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000013190256 956976909 /nfs/dbraw/zinc/97/69/09/956976909.db2.gz MJILLRRSGWZZBY-FNORWQNLSA-N -1 0 332.743 3.958 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)c2cccc(F)c2Cl)c2ccccc21 ZINC001594725564 956994145 /nfs/dbraw/zinc/99/41/45/956994145.db2.gz AVALZUOOLSUJEX-OCCSQVGLSA-N -1 0 333.746 3.522 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2cc(O)c3ccccc3c2)c2ccccc21 ZINC001594726798 957013188 /nfs/dbraw/zinc/01/31/88/957013188.db2.gz OKMLLSKITFEZAQ-QZTJIDSGSA-N -1 0 347.370 3.588 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)c2ccc(C(F)F)cc2)c2ccccc21 ZINC001594727140 957016563 /nfs/dbraw/zinc/01/65/63/957016563.db2.gz QUDPGXDCCQDNQS-CABCVRRESA-N -1 0 331.318 3.667 20 0 EHADRM Cc1ccc(SCC(=O)N[C@@H](CC(=O)[O-])c2cccs2)c(C)c1 ZINC000013388110 957040129 /nfs/dbraw/zinc/04/01/29/957040129.db2.gz KETWOKYKEMODBG-ZDUSSCGKSA-N -1 0 349.477 3.789 20 0 EHADRM C[C@@H](C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)c1ccc2ccccc2c1 ZINC000909902027 957040399 /nfs/dbraw/zinc/04/03/99/957040399.db2.gz AWSPGPANBGOQDR-ZNZDAUKMSA-N -1 0 337.419 3.513 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1cc(F)c(F)cc1Cl ZINC000013391279 957047361 /nfs/dbraw/zinc/04/73/61/957047361.db2.gz UOZPSMYNBMBBSI-UHFFFAOYSA-N -1 0 325.698 3.877 20 0 EHADRM CC[C@@H](C(=O)N(CCC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC000013429156 957069734 /nfs/dbraw/zinc/06/97/34/957069734.db2.gz SICLUOQIEORHMG-GOSISDBHSA-N -1 0 325.408 3.684 20 0 EHADRM Cc1ccc(C(C)C)c(OCC(=O)N(C)c2ccccc2C(=O)[O-])c1 ZINC000013441171 957080380 /nfs/dbraw/zinc/08/03/80/957080380.db2.gz BSABPWVRZAFWSX-UHFFFAOYSA-N -1 0 341.407 3.858 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1cc2c(s1)CCCC2 ZINC000013447629 957085080 /nfs/dbraw/zinc/08/50/80/957085080.db2.gz TWGNRQWJEZXRHU-UHFFFAOYSA-N -1 0 327.405 3.528 20 0 EHADRM Cc1onc(-c2ccccc2)c1C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000013447618 957085202 /nfs/dbraw/zinc/08/52/02/957085202.db2.gz SKIPYWIUSKTYNA-UHFFFAOYSA-N -1 0 348.358 3.551 20 0 EHADRM Cc1cc(NC(=O)CC(C)(C)CC(=O)[O-])ccc1Br ZINC000016480612 957099623 /nfs/dbraw/zinc/09/96/23/957099623.db2.gz FDVJNFFDLUUBQC-UHFFFAOYSA-N -1 0 328.206 3.587 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)Cc2c[nH]c3ccccc23)s1 ZINC000020333209 957138376 /nfs/dbraw/zinc/13/83/76/957138376.db2.gz PBIUNRSQYCCPGE-UHFFFAOYSA-N -1 0 328.393 3.671 20 0 EHADRM CCCC[C@@H](NC(=O)CCSc1ccccc1Cl)C(=O)[O-] ZINC000035095422 957196519 /nfs/dbraw/zinc/19/65/19/957196519.db2.gz MKGSZHCASDUEQE-GFCCVEGCSA-N -1 0 329.849 3.582 20 0 EHADRM CCC[C@@](C)(NC(=O)/C=C/c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000036338193 957231270 /nfs/dbraw/zinc/23/12/70/957231270.db2.gz CGXRDFKHXMOREM-MBVDDHJVSA-N -1 0 330.211 3.766 20 0 EHADRM CCC[C@@H](NC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)[O-] ZINC000036836499 957239681 /nfs/dbraw/zinc/23/96/81/957239681.db2.gz CRSYWNFGADLFMS-SECBINFHSA-N -1 0 329.780 3.677 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)CCSc1ccccc1Cl ZINC000037589836 957310721 /nfs/dbraw/zinc/31/07/21/957310721.db2.gz JQAWGHLDURYJHJ-LLVKDONJSA-N -1 0 329.849 3.534 20 0 EHADRM CC(C)[C@@H](CNC(=O)N1CCC[C@H]1c1cccc(Cl)c1)C(=O)[O-] ZINC001326842927 957331717 /nfs/dbraw/zinc/33/17/17/957331717.db2.gz ABTCIDPKVKSVOG-CABCVRRESA-N -1 0 338.835 3.543 20 0 EHADRM Cc1ccc2[nH]c(SCc3nc4cc(C(=O)[O-])ccc4[nH]3)nc2c1 ZINC000044881372 957450772 /nfs/dbraw/zinc/45/07/72/957450772.db2.gz JSGSYMXMXRBSGO-UHFFFAOYSA-N -1 0 338.392 3.738 20 0 EHADRM C[C@@H](NC(=O)NCCCCCCC(=O)[O-])c1ccc(Cl)s1 ZINC000049147623 957475092 /nfs/dbraw/zinc/47/50/92/957475092.db2.gz PTXJMWMHRLRNGO-SNVBAGLBSA-N -1 0 332.853 3.797 20 0 EHADRM CC(C)(C)c1cc2c([nH]c(-c3cccc(C(=O)[O-])c3)nc2=O)s1 ZINC000069982123 957659400 /nfs/dbraw/zinc/65/94/00/957659400.db2.gz XJMOUZUKLKWXID-UHFFFAOYSA-N -1 0 328.393 3.647 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000390688250 972299085 /nfs/dbraw/zinc/29/90/85/972299085.db2.gz ZLFHMQCVZJOSOV-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2nc3ccccc3n2CC2CC2)c1 ZINC001594289259 957809431 /nfs/dbraw/zinc/80/94/31/957809431.db2.gz SFPAGQGLUYSJQW-UHFFFAOYSA-N -1 0 349.390 3.705 20 0 EHADRM Cn1c(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)cc(Cl)c1Cl ZINC000390636721 972296526 /nfs/dbraw/zinc/29/65/26/972296526.db2.gz RMWPBHYZPVXWKB-UHFFFAOYSA-N -1 0 349.120 3.561 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc3c(ccc4ccccc34)[nH]2)nc1 ZINC001574804965 957852842 /nfs/dbraw/zinc/85/28/42/957852842.db2.gz MLGOQUBCVYQLKF-UHFFFAOYSA-N -1 0 331.331 3.667 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)c1 ZINC001574809053 957867027 /nfs/dbraw/zinc/86/70/27/957867027.db2.gz DXGUSAWPLWCQHU-UHFFFAOYSA-N -1 0 341.754 3.681 20 0 EHADRM O=C([O-])c1cccnc1NC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC001574814850 957880712 /nfs/dbraw/zinc/88/07/12/957880712.db2.gz ARWSOKRXUYPBRF-IRXDYDNUSA-N -1 0 332.359 3.675 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)N[C@H](c1cccs1)C1CC1 ZINC001339845404 957892184 /nfs/dbraw/zinc/89/21/84/957892184.db2.gz KTEMELOXIDTXRG-CJNGLKHVSA-N -1 0 336.457 3.628 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)NCc1ccccc1C(=O)[O-] ZINC001603199444 972302594 /nfs/dbraw/zinc/30/25/94/972302594.db2.gz COSHGAAYXNDQSM-LBPRGKRZSA-N -1 0 331.799 3.533 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)NCCC2CC=CC2)CC1 ZINC001340570957 957938261 /nfs/dbraw/zinc/93/82/61/957938261.db2.gz RNXGEMLERMEZAY-UHFFFAOYSA-N -1 0 342.439 3.630 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)N(CC2CC2)CC2CCC2)c2ccccc21 ZINC001340586591 957943740 /nfs/dbraw/zinc/94/37/40/957943740.db2.gz YCNXDNYMQSLREH-MSOLQXFVSA-N -1 0 342.439 3.521 20 0 EHADRM Cc1ccc([C@H](NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)C2CC2)cc1 ZINC001341226119 957948842 /nfs/dbraw/zinc/94/88/42/957948842.db2.gz PETZGNXLUBAKBB-KXBFYZLASA-N -1 0 344.455 3.733 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2ccc(OC(F)F)cc2)CCCC1 ZINC000391010374 972311760 /nfs/dbraw/zinc/31/17/60/972311760.db2.gz WCXPUNHJUFRCLI-UHFFFAOYSA-N -1 0 327.327 3.652 20 0 EHADRM CC(C)c1ccc(C[C@H](C)NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC001603200116 972307516 /nfs/dbraw/zinc/30/75/16/972307516.db2.gz UHEVASFUFKYSJI-RDJZCZTQSA-N -1 0 346.471 3.637 20 0 EHADRM Cc1cc(N(C)C)ccc1NC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001594311049 958021090 /nfs/dbraw/zinc/02/10/90/958021090.db2.gz BUIHAVWSDAVDJP-UHFFFAOYSA-N -1 0 327.384 3.712 20 0 EHADRM COc1ccc(NC(=O)c2csc3ccccc23)c(C(=O)[O-])c1 ZINC000391151701 972320695 /nfs/dbraw/zinc/32/06/95/972320695.db2.gz ORCWRTXXIIGRPS-UHFFFAOYSA-N -1 0 327.361 3.860 20 0 EHADRM COc1cc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c(C2CC2)cc1Cl ZINC001594065610 958129443 /nfs/dbraw/zinc/12/94/43/958129443.db2.gz MWODIMIQJUUQEI-WDEREUQCSA-N -1 0 337.803 3.665 20 0 EHADRM COc1ccc(-c2nc(CSCCC(=O)[O-])cs2)cc1OC ZINC001594072023 958189744 /nfs/dbraw/zinc/18/97/44/958189744.db2.gz FVKDTUZPNJNAAV-UHFFFAOYSA-N -1 0 339.438 3.535 20 0 EHADRM COc1ccc([C@H](NC(=O)C2(C(=O)[O-])CCCCC2)C2CCC2)cc1 ZINC001594080515 958261582 /nfs/dbraw/zinc/26/15/82/958261582.db2.gz MLNILVVXPXQHTL-QGZVFWFLSA-N -1 0 345.439 3.688 20 0 EHADRM Cc1ccc(-n2ccc(NC(=O)C3(C(=O)[O-])CCCCCC3)n2)cc1 ZINC001594340887 958289147 /nfs/dbraw/zinc/28/91/47/958289147.db2.gz BKOQMSIZGKGATL-UHFFFAOYSA-N -1 0 341.411 3.544 20 0 EHADRM C[C@@H](NCc1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1Cl ZINC000094759391 958305345 /nfs/dbraw/zinc/30/53/45/958305345.db2.gz YKKDYDBNZDQFBF-SECBINFHSA-N -1 0 325.195 3.937 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)CCc1c[nH]c2ccccc12 ZINC000391454869 972338404 /nfs/dbraw/zinc/33/84/04/972338404.db2.gz WOURGRTWBBZWKE-UHFFFAOYSA-N -1 0 328.393 3.807 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC001594349501 958336508 /nfs/dbraw/zinc/33/65/08/958336508.db2.gz JVOGWWWFKYOQDY-RKVPGOIHSA-N -1 0 347.455 3.597 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC001594350317 958347520 /nfs/dbraw/zinc/34/75/20/958347520.db2.gz YUUNICNEJNZZLA-GOEBONIOSA-N -1 0 335.444 3.501 20 0 EHADRM COc1ccc(N(C)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1F ZINC001594099547 958426537 /nfs/dbraw/zinc/42/65/37/958426537.db2.gz PIBMLOQFHZOWCO-UHFFFAOYSA-N -1 0 332.331 3.509 20 0 EHADRM COc1ccc([C@@H](C)OC(=O)c2coc(/C=C/C(=O)[O-])c2)cc1C ZINC001594112120 958520011 /nfs/dbraw/zinc/52/00/11/958520011.db2.gz XFONFKYUTBBKGW-HOSRBBHYSA-N -1 0 330.336 3.612 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])c(-c2nc3ccccc3[nH]2)c1 ZINC001594373041 958556969 /nfs/dbraw/zinc/55/69/69/958556969.db2.gz XQDMBMIONKDCHC-CHWSQXEVSA-N -1 0 349.390 3.588 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(OCC(=O)[O-])cc2)c(Cl)c1C ZINC001594373534 958566361 /nfs/dbraw/zinc/56/63/61/958566361.db2.gz HPAPBUSAUDIHIC-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM COc1ccc2cc(C(=O)Nc3ccc(O)c(C(=O)[O-])c3)sc2c1 ZINC001594118622 958584612 /nfs/dbraw/zinc/58/46/12/958584612.db2.gz SPTYJYWJPXKBAP-UHFFFAOYSA-N -1 0 343.360 3.566 20 0 EHADRM Cc1ccc(SCCNC(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC001594377553 958605631 /nfs/dbraw/zinc/60/56/31/958605631.db2.gz CKYQMHQKEBDRHI-UHFFFAOYSA-N -1 0 330.409 3.607 20 0 EHADRM COc1cccc(Oc2ccc(NC(=O)[C@]3(C(=O)[O-])C[C@H]3C)cc2)c1 ZINC001594131497 958675578 /nfs/dbraw/zinc/67/55/78/958675578.db2.gz PRQBNUKAPIUDDJ-BLVKFPJESA-N -1 0 341.363 3.537 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Cc1ccc(Cl)cc1Cl)c1cccs1 ZINC000129604323 958711912 /nfs/dbraw/zinc/71/19/12/958711912.db2.gz JCRCCMSQMQEXSJ-ZDUSSCGKSA-N -1 0 344.219 3.540 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1)C(=O)[O-] ZINC001573395405 958715750 /nfs/dbraw/zinc/71/57/50/958715750.db2.gz MVYYFJDZSYVKEZ-OAGGEKHMSA-N -1 0 335.419 3.715 20 0 EHADRM Cc1cccc([C@@H](NC(=O)Cc2ccc3ccccc3c2)C(=O)[O-])c1 ZINC001594398784 958812558 /nfs/dbraw/zinc/81/25/58/958812558.db2.gz XHNDZOUSZRHMLU-HXUWFJFHSA-N -1 0 333.387 3.633 20 0 EHADRM Cc1cccc(CN(CC(C)C)C(=O)C2(C(=O)[O-])CCSCC2)c1 ZINC001594404012 958882077 /nfs/dbraw/zinc/88/20/77/958882077.db2.gz ICVDGHIYHFYZEJ-UHFFFAOYSA-N -1 0 349.496 3.578 20 0 EHADRM Cc1cccc(NC(=O)[C@H](C(=O)[O-])C2CCCC2)c1Br ZINC001594405722 958905167 /nfs/dbraw/zinc/90/51/67/958905167.db2.gz RIMNFFXWMCOXGH-GFCCVEGCSA-N -1 0 340.217 3.587 20 0 EHADRM Cc1cccc(Oc2ccc(C(=O)NCCCCCC(=O)[O-])nc2)c1 ZINC001594409265 958932749 /nfs/dbraw/zinc/93/27/49/958932749.db2.gz MMJZOMXRWUBXBI-UHFFFAOYSA-N -1 0 342.395 3.557 20 0 EHADRM Cc1cccc2nc(CN3C[C@@H](CCC(=O)[O-])Cc4ccccc43)cn21 ZINC001594413372 958967282 /nfs/dbraw/zinc/96/72/82/958967282.db2.gz LCBARCQRUHUUTN-INIZCTEOSA-N -1 0 349.434 3.686 20 0 EHADRM CC(C)(C)c1csc(COc2cc(C(=O)[O-])ccc2[N+](=O)[O-])n1 ZINC000139856221 958969994 /nfs/dbraw/zinc/96/99/94/958969994.db2.gz ISZFODGDFZIKDD-UHFFFAOYSA-N -1 0 336.369 3.626 20 0 EHADRM Cc1ccc(S(=O)(=O)Oc2c(C(=O)[O-])ccc3ccccc32)cc1 ZINC000142582608 958979223 /nfs/dbraw/zinc/97/92/23/958979223.db2.gz ZYZNJKNDLGYGIR-UHFFFAOYSA-N -1 0 342.372 3.614 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)O[C@H]1CCOc2cc(Cl)cc(Cl)c21 ZINC001573490099 959013022 /nfs/dbraw/zinc/01/30/22/959013022.db2.gz NVCSOZAFNCSYFJ-JQWIXIFHSA-N -1 0 347.194 3.717 20 0 EHADRM CC(C)[C@@H](CNC(=O)C1(C(=O)[O-])CC=CC1)c1ccc(Cl)cc1 ZINC001573490482 959019994 /nfs/dbraw/zinc/01/99/94/959019994.db2.gz VYGIKIJQAWLCMK-OAHLLOKOSA-N -1 0 335.831 3.617 20 0 EHADRM CC(C)[C@@H](CNC(=O)Nc1cccc(CCC(F)(F)F)c1)C(=O)[O-] ZINC001573498611 959041123 /nfs/dbraw/zinc/04/11/23/959041123.db2.gz KCUWNCHBSMPLIQ-CYBMUJFWSA-N -1 0 346.349 3.660 20 0 EHADRM CC(C)C[C@H](CNC(=O)N(C)[C@@H]1CCC[C@H]1C(C)(C)C)C(=O)[O-] ZINC001573509937 959088212 /nfs/dbraw/zinc/08/82/12/959088212.db2.gz WZYYURPQPACLQV-RBSFLKMASA-N -1 0 326.481 3.590 20 0 EHADRM CSc1cc(NC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)ccc1Cl ZINC001594190379 959169045 /nfs/dbraw/zinc/16/90/45/959169045.db2.gz YCGJIENATFYSMU-KOLCDFICSA-N -1 0 342.848 3.636 20 0 EHADRM CSc1ccccc1[C@H](C)NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001594197917 959213742 /nfs/dbraw/zinc/21/37/42/959213742.db2.gz LLCCKFKAWFRVNA-IEHMKBBKSA-N -1 0 331.393 3.590 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC001588575354 959216864 /nfs/dbraw/zinc/21/68/64/959216864.db2.gz BEJNLIWPAPICIN-SNVBAGLBSA-N -1 0 326.377 3.623 20 0 EHADRM Cc1csc(-c2cccc(OC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)c2)n1 ZINC001594435685 959227020 /nfs/dbraw/zinc/22/70/20/959227020.db2.gz IKZVNPANFLQOGV-OLZOCXBDSA-N -1 0 331.393 3.525 20 0 EHADRM CC(C)c1nnc(CN2CCC(c3ccccc3C(=O)[O-])CC2)s1 ZINC001573564557 959279203 /nfs/dbraw/zinc/27/92/03/959279203.db2.gz IGIJYYGJQVTXPV-UHFFFAOYSA-N -1 0 345.468 3.739 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)CSc1ccc(C(C)(C)C)cc1)C1CC1 ZINC001588584864 959295092 /nfs/dbraw/zinc/29/50/92/959295092.db2.gz QKXJCZNPMDUCGH-LBPRGKRZSA-N -1 0 335.469 3.540 20 0 EHADRM C[C@H](C(=O)[O-])c1noc(-c2csc(-c3ccc(Cl)cc3)n2)n1 ZINC001588602077 959431765 /nfs/dbraw/zinc/43/17/65/959431765.db2.gz CLBLEXGNKJPEAD-ZETCQYMHSA-N -1 0 335.772 3.702 20 0 EHADRM C[C@H](Nc1cc(-c2ccccc2)ncn1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603255407 972428714 /nfs/dbraw/zinc/42/87/14/972428714.db2.gz KPBNOYNHLCSOBM-AEGPPILISA-N -1 0 325.412 3.691 20 0 EHADRM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000180109588 959438959 /nfs/dbraw/zinc/43/89/59/959438959.db2.gz CAOHLHTUUSWJFE-VXGBXAGGSA-N -1 0 344.238 3.843 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](c2nc(C3(c4ccccc4)CCC3)no2)C1 ZINC000392218797 972429336 /nfs/dbraw/zinc/42/93/36/972429336.db2.gz JFATUABVNPRYFC-KBPBESRZSA-N -1 0 326.396 3.898 20 0 EHADRM CC(C)Oc1ccc(CC[C@H](C)NC(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000183762358 959445566 /nfs/dbraw/zinc/44/55/66/959445566.db2.gz RBXUTUXYXNGDRB-ZDUSSCGKSA-N -1 0 345.395 3.516 20 0 EHADRM O=C([O-])c1coc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1 ZINC000183750466 959446352 /nfs/dbraw/zinc/44/63/52/959446352.db2.gz CXSSBAULKFDTTG-UHFFFAOYSA-N -1 0 349.557 3.695 20 0 EHADRM O=C([O-])[C@@H]1Cc2ccccc2N(C(=O)c2csc3ccccc23)C1 ZINC000392234768 972432007 /nfs/dbraw/zinc/43/20/07/972432007.db2.gz VBGMTUHVVLHKLB-CYBMUJFWSA-N -1 0 337.400 3.805 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)N[C@H](C)c1cc(Cl)cc(Cl)c1F ZINC001573611147 959480723 /nfs/dbraw/zinc/48/07/23/959480723.db2.gz PBDICFWOGGZQNH-RDDDGLTNSA-N -1 0 336.190 3.667 20 0 EHADRM C[C@H](NC(=O)/C=C/c1cccc(-c2ccc(Cl)cc2)c1)C(=O)[O-] ZINC001594234805 959502776 /nfs/dbraw/zinc/50/27/76/959502776.db2.gz OPZYGINRXFZBFQ-DJTWPOEFSA-N -1 0 329.783 3.610 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1cccc(Cl)c1Cl ZINC001573622687 959521764 /nfs/dbraw/zinc/52/17/64/959521764.db2.gz MMYJZTUGNBDIBX-LPEHRKFASA-N -1 0 330.211 3.672 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cnn(CC(C)C)c1C1CC1 ZINC000190872999 959525438 /nfs/dbraw/zinc/52/54/38/959525438.db2.gz ZAYBXWSSSRLGOC-UHFFFAOYSA-N -1 0 341.411 3.675 20 0 EHADRM Cc1ccccc1N(CCC(=O)[O-])C(=O)[C@H]1CCCc2ccccc21 ZINC000392272352 972436717 /nfs/dbraw/zinc/43/67/17/972436717.db2.gz VRCXUZOQXLHOLN-SFHVURJKSA-N -1 0 337.419 3.923 20 0 EHADRM Cc1nc(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)c(-c2ccccc2)o1 ZINC000191036891 959536782 /nfs/dbraw/zinc/53/67/82/959536782.db2.gz JPGJBBDYPFSPSF-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM Cc1nccc2c(NC(=O)N3CCC(CCC(=O)[O-])CC3)cccc12 ZINC001594471101 959559657 /nfs/dbraw/zinc/55/96/57/959559657.db2.gz SDUYHHBOJWTFBJ-UHFFFAOYSA-N -1 0 341.411 3.652 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)CC1 ZINC000191579989 959583000 /nfs/dbraw/zinc/58/30/00/959583000.db2.gz XFCPTGCGCGZCPX-UHFFFAOYSA-N -1 0 331.755 3.936 20 0 EHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)C[C@@H]2CCCCO2)cc1 ZINC000192865944 959593185 /nfs/dbraw/zinc/59/31/85/959593185.db2.gz DSLDWFWSNCGVCO-DLBZAZTESA-N -1 0 347.455 3.575 20 0 EHADRM C[C@@](CNC(=O)c1cc2ccccc2s1)(C(=O)[O-])c1ccccc1 ZINC000193060651 959609403 /nfs/dbraw/zinc/60/94/03/959609403.db2.gz UAYSXSVUTCOJJL-IBGZPJMESA-N -1 0 339.416 3.674 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)s1 ZINC000197754773 959631518 /nfs/dbraw/zinc/63/15/18/959631518.db2.gz HKWFFCNLGPFXFZ-UHFFFAOYSA-N -1 0 329.421 3.541 20 0 EHADRM Cc1c2occ(CC(=O)N3CCC[C@H](C)[C@H]3C(=O)[O-])c2ccc1Cl ZINC001594262249 959704581 /nfs/dbraw/zinc/70/45/81/959704581.db2.gz AKHQDIOBRCFZIH-QFYYESIMSA-N -1 0 349.814 3.649 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)C1(Cc2ccccc2F)CC1)C(=O)[O-] ZINC001588645964 959736534 /nfs/dbraw/zinc/73/65/34/959736534.db2.gz SURKEVAHPZHJLF-OAHLLOKOSA-N -1 0 335.419 3.544 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)c1ccc2ccccc2c1O)C(=O)[O-] ZINC001588649462 959751414 /nfs/dbraw/zinc/75/14/14/959751414.db2.gz UJYDUTRCFCKYAI-OAHLLOKOSA-N -1 0 329.396 3.555 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001594268581 959772743 /nfs/dbraw/zinc/77/27/43/959772743.db2.gz IBARYMUIZFVUSU-NSHDSACASA-N -1 0 339.351 3.717 20 0 EHADRM O=C([O-])c1coc(C(=O)Nc2ccc(Cl)cc2Br)c1 ZINC000228150649 959992895 /nfs/dbraw/zinc/99/28/95/959992895.db2.gz KUXKQJSGJUEGGB-UHFFFAOYSA-N -1 0 344.548 3.646 20 0 EHADRM C[C@@H]1CCCN(Cc2nc3cc(C(F)(F)F)ccc3o2)[C@H]1C(=O)[O-] ZINC001573725643 960401377 /nfs/dbraw/zinc/40/13/77/960401377.db2.gz FBOQBUGXDMAHRO-YMTOWFKASA-N -1 0 342.317 3.532 20 0 EHADRM COc1cccc(C[C@H](C)CC(=O)Nc2ccccc2C(=O)[O-])c1 ZINC001574232133 960412904 /nfs/dbraw/zinc/41/29/04/960412904.db2.gz PIANDWHCFKOPBG-ZDUSSCGKSA-N -1 0 327.380 3.601 20 0 EHADRM C[C@@H](NC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)c1cccc2ccccc21 ZINC001573735107 960428999 /nfs/dbraw/zinc/42/89/99/960428999.db2.gz AKEJEEALYHPDID-IYOUNJFTSA-N -1 0 340.423 3.653 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccc(C(C)(C)C)c(F)c2)C[C@H]1C(=O)[O-] ZINC001573735181 960430429 /nfs/dbraw/zinc/43/04/29/960430429.db2.gz BYXXGOQVDOMWSN-WCQYABFASA-N -1 0 336.407 3.698 20 0 EHADRM COc1ccccc1C1(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])CCC1 ZINC001574237237 960436437 /nfs/dbraw/zinc/43/64/37/960436437.db2.gz MYLCAPPGZIVDSQ-HNNXBMFYSA-N -1 0 347.455 3.513 20 0 EHADRM C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCC(=O)C[C@@H]3C)c2C(=O)[O-])C1 ZINC001573737747 960460309 /nfs/dbraw/zinc/46/03/09/960460309.db2.gz CIFFOVZCWVSWHU-SCVCMEIPSA-N -1 0 349.452 3.515 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)c1nc(Cl)ccc1Cl ZINC000235836169 960512968 /nfs/dbraw/zinc/51/29/68/960512968.db2.gz NCNZPSLOXHBQDD-UHFFFAOYSA-N -1 0 331.180 3.709 20 0 EHADRM CSCCCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001574253682 960523540 /nfs/dbraw/zinc/52/35/40/960523540.db2.gz JYCNBNGNKZIRRV-SECBINFHSA-N -1 0 327.471 3.653 20 0 EHADRM CSc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC001574257990 960552876 /nfs/dbraw/zinc/55/28/76/960552876.db2.gz RNKZZQWTXLKEGY-CDCCAWJDSA-N -1 0 331.393 3.590 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)c1ccc2c(c1)-c1ccccc1C2 ZINC001574267020 960592479 /nfs/dbraw/zinc/59/24/79/960592479.db2.gz SQZFABUBGNEKSC-BFUOFWGJSA-N -1 0 335.403 3.726 20 0 EHADRM O=C([O-])c1cc(Br)ccc1NC(=O)c1ccoc1Cl ZINC000236442308 960604519 /nfs/dbraw/zinc/60/45/19/960604519.db2.gz ZCMUUAUWNGCJGW-UHFFFAOYSA-N -1 0 344.548 3.646 20 0 EHADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCC1(c2ccc(C(C)(C)C)cc2)CCC1 ZINC001574282032 960649852 /nfs/dbraw/zinc/64/98/52/960649852.db2.gz MPFNDWODZBBJQZ-SZNDQCEHSA-N -1 0 343.467 3.633 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001603284490 972521926 /nfs/dbraw/zinc/52/19/26/972521926.db2.gz YLGXKMORGUDESF-DZGCQCFKSA-N -1 0 337.485 3.704 20 0 EHADRM Cc1ccc(CC2CCN(C(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)CC2)cc1 ZINC001255838724 960657002 /nfs/dbraw/zinc/65/70/02/960657002.db2.gz FENHTBINHRCEBW-OALUTQOASA-N -1 0 343.467 3.667 20 0 EHADRM CC/C(C)=C(\C)C(=O)Nc1scc(-c2cnn(C)c2)c1C(=O)[O-] ZINC001573770741 960669870 /nfs/dbraw/zinc/66/98/70/960669870.db2.gz XITLSLKPSZLWIN-MDZDMXLPSA-N -1 0 333.413 3.532 20 0 EHADRM CCC(C)(C)OCc1cccc(NC(=O)NCCCC(=O)[O-])c1C ZINC001573770798 960670029 /nfs/dbraw/zinc/67/00/29/960670029.db2.gz ZCWRUURSJGQSKF-UHFFFAOYSA-N -1 0 336.432 3.687 20 0 EHADRM CCC(C)(C)OCc1cccc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c1C ZINC001573770774 960670233 /nfs/dbraw/zinc/67/02/33/960670233.db2.gz YHZPESYAMHSFCX-GASCZTMLSA-N -1 0 348.443 3.685 20 0 EHADRM CC[C@H](CC(F)F)C(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21 ZINC001573776574 960691813 /nfs/dbraw/zinc/69/18/13/960691813.db2.gz VDGBVTDWXGGILV-CHWSQXEVSA-N -1 0 339.382 3.738 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)cc1 ZINC001573776760 960697141 /nfs/dbraw/zinc/69/71/41/960697141.db2.gz QCNLFHYQIYFYNB-GJZGRUSLSA-N -1 0 335.444 3.731 20 0 EHADRM CCC(CC)(CNC(=O)N1CC[C@@H]([C@H]2CCCC2(C)C)C1)C(=O)[O-] ZINC001573783774 960721426 /nfs/dbraw/zinc/72/14/26/960721426.db2.gz ALZCQLQCHVPXLA-HUUCEWRRSA-N -1 0 338.492 3.735 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(c2nc(-c3ccccc3)nc3ccccc32)C1 ZINC001261372560 960728873 /nfs/dbraw/zinc/72/88/73/960728873.db2.gz AKMDMXYZUQYAID-HXUWFJFHSA-N -1 0 333.391 3.598 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)c(C)n1C(C)C ZINC000236708979 960738215 /nfs/dbraw/zinc/73/82/15/960738215.db2.gz FWRYSNLEFZMHNK-AWEZNQCLSA-N -1 0 334.441 3.693 20 0 EHADRM CCCC[C@@H](NC(=O)C1c2ccccc2Oc2ccccc21)C(=O)[O-] ZINC000236844560 960772761 /nfs/dbraw/zinc/77/27/61/960772761.db2.gz FVKBTGXJELWJBY-OAHLLOKOSA-N -1 0 339.391 3.684 20 0 EHADRM CCCC[C@@H](NC(=O)c1ccccc1COc1ccccc1)C(=O)[O-] ZINC000236853487 960774690 /nfs/dbraw/zinc/77/46/90/960774690.db2.gz QCHQXNJMRYMOII-GOSISDBHSA-N -1 0 341.407 3.639 20 0 EHADRM CCC(CC)(CNC(=O)c1cccc(-c2csc(C)n2)c1)C(=O)[O-] ZINC000236894845 960792196 /nfs/dbraw/zinc/79/21/96/960792196.db2.gz YSEHEWMWWFWDNX-UHFFFAOYSA-N -1 0 346.452 3.739 20 0 EHADRM CCC(CC)(CNC(=O)c1csc(-c2ccccc2C)n1)C(=O)[O-] ZINC000236899414 960793614 /nfs/dbraw/zinc/79/36/14/960793614.db2.gz RCDCOTFZBWNDKN-UHFFFAOYSA-N -1 0 346.452 3.739 20 0 EHADRM CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)c1ccc(C(=O)[O-])s1 ZINC000236910274 960797885 /nfs/dbraw/zinc/79/78/85/960797885.db2.gz STDLDBVZAYDSSQ-GFCCVEGCSA-N -1 0 347.436 3.862 20 0 EHADRM CCCc1ccc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000236915635 960798440 /nfs/dbraw/zinc/79/84/40/960798440.db2.gz ZKEJMVFVNWVYOM-RDTXWAMCSA-N -1 0 325.408 3.831 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000236942528 960807107 /nfs/dbraw/zinc/80/71/07/960807107.db2.gz BFCMHEAROZXUTP-IFXJQAMLSA-N -1 0 325.408 3.512 20 0 EHADRM CCC[C@H](NC(=O)CCCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000236970659 960818926 /nfs/dbraw/zinc/81/89/26/960818926.db2.gz NGMYRJIPKXEHSZ-ZDUSSCGKSA-N -1 0 332.227 3.686 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC000236992854 960826924 /nfs/dbraw/zinc/82/69/24/960826924.db2.gz BIMAHXBEIRUPAI-BONVTDFDSA-N -1 0 335.787 3.829 20 0 EHADRM Cc1cc(C)cc(C2=CCN(C(=O)[C@]3(C(=O)[O-])CC=CCC3)CC2)c1 ZINC001574325528 960841598 /nfs/dbraw/zinc/84/15/98/960841598.db2.gz LOIOBTOPLWONFY-NRFANRHFSA-N -1 0 339.435 3.730 20 0 EHADRM Cc1cc(NC(=O)[C@]2(C(=O)[O-])CC2(C)C)cc(C)c1Br ZINC001574333912 960902328 /nfs/dbraw/zinc/90/23/28/960902328.db2.gz ROLRPARZYZKGEQ-HNNXBMFYSA-N -1 0 340.217 3.505 20 0 EHADRM CC[C@H](Sc1nnc(-c2cccc(Cl)c2)n1CC)C(=O)[O-] ZINC001573813355 960913403 /nfs/dbraw/zinc/91/34/03/960913403.db2.gz MARKIAUAXCPGBS-NSHDSACASA-N -1 0 325.821 3.574 20 0 EHADRM CC[C@@H](OC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccc(OC)cc1 ZINC001573813739 960919135 /nfs/dbraw/zinc/91/91/35/960919135.db2.gz QAEUIDYRFWLOPX-ZHUYAKLQSA-N -1 0 330.336 3.694 20 0 EHADRM Cc1cc(NC(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)ccc1C(=O)[O-] ZINC001574338336 960926598 /nfs/dbraw/zinc/92/65/98/960926598.db2.gz OFMREGXGOKCOCM-IUODEOHRSA-N -1 0 346.333 3.649 20 0 EHADRM Cc1ccc(-c2cc(C(=O)N[C@@H](C)C(=O)[O-])c3ccccc3n2)c(C)c1 ZINC000237470009 960941251 /nfs/dbraw/zinc/94/12/51/960941251.db2.gz ARHGVMTYZXXFLP-AWEZNQCLSA-N -1 0 348.402 3.722 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)Nc2ccc(C(=O)[O-])cn2)ccc1C(C)C ZINC001574343076 960944174 /nfs/dbraw/zinc/94/41/74/960944174.db2.gz AVBWHUPKNVIGNM-CYBMUJFWSA-N -1 0 342.395 3.618 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)N[C@@H]2c3cc(C)ccc3C[C@H]2C)C1 ZINC001573820434 960948442 /nfs/dbraw/zinc/94/84/42/960948442.db2.gz MBOAESGIUAONQB-LIVBEALHSA-N -1 0 344.455 3.515 20 0 EHADRM COc1ccc(CC(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)cc1 ZINC000237509565 960950649 /nfs/dbraw/zinc/95/06/49/960950649.db2.gz NLIIQXVOXXWCCD-UHFFFAOYSA-N -1 0 341.388 3.789 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001319850958 960961090 /nfs/dbraw/zinc/96/10/90/960961090.db2.gz ISKZYAQJBMTRNC-OAGGEKHMSA-N -1 0 343.448 3.801 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccc(C(=O)[O-])s2)C2CC2)o1 ZINC000237569500 960964835 /nfs/dbraw/zinc/96/48/35/960964835.db2.gz HQQOFVQLCBKZKI-GWCFXTLKSA-N -1 0 345.420 3.968 20 0 EHADRM Cc1c(CNC(=O)c2ccc(C(=O)[O-])s2)oc2ccc(F)cc12 ZINC000237597485 960969221 /nfs/dbraw/zinc/96/92/21/960969221.db2.gz DABVVTSJSLAVSQ-UHFFFAOYSA-N -1 0 333.340 3.570 20 0 EHADRM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc(C(=O)[O-])s1 ZINC000237604738 960972401 /nfs/dbraw/zinc/97/24/01/960972401.db2.gz HDFZQVKSIZMYLQ-QMMMGPOBSA-N -1 0 325.336 3.558 20 0 EHADRM Cc1ccc(C)c(OCCC(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC000237652748 960986352 /nfs/dbraw/zinc/98/63/52/960986352.db2.gz MBDOJARCHYPKDL-UHFFFAOYSA-N -1 0 327.380 3.718 20 0 EHADRM Cc1nc2cc(F)ccc2cc1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000237749789 961014490 /nfs/dbraw/zinc/01/44/90/961014490.db2.gz JTBLDOMGZOTCFW-UHFFFAOYSA-N -1 0 342.301 3.772 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)/C=C/c1nc2ccccc2s1 ZINC001322784740 961014865 /nfs/dbraw/zinc/01/48/65/961014865.db2.gz RSSJISHYFICSRQ-CMDGGOBGSA-N -1 0 338.388 3.955 20 0 EHADRM COc1cccc(/C(C)=C\C(=O)Nc2ccc(C(=O)[O-])cc2C)c1 ZINC001323488982 961017767 /nfs/dbraw/zinc/01/77/67/961017767.db2.gz WEKJTBJWKGUKHQ-BENRWUELSA-N -1 0 325.364 3.744 20 0 EHADRM Cc1ccc(SCCC(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000237770161 961020477 /nfs/dbraw/zinc/02/04/77/961020477.db2.gz QOZDXTYVHDZMDW-CQSZACIVSA-N -1 0 349.477 3.871 20 0 EHADRM CCC[C@H](C)CC(=O)Nc1scc(-c2cnn(C)c2)c1C(=O)[O-] ZINC001573831722 961029076 /nfs/dbraw/zinc/02/90/76/961029076.db2.gz HMHJGJUPKLXJSW-JTQLQIEISA-N -1 0 335.429 3.612 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2SCCc3sccc32)ccc1C(=O)[O-] ZINC000237815880 961029270 /nfs/dbraw/zinc/02/92/70/961029270.db2.gz NYHZYNZPBCUVGN-CQSZACIVSA-N -1 0 333.434 3.724 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])c2)cs1 ZINC000237823217 961029395 /nfs/dbraw/zinc/02/93/95/961029395.db2.gz GQXAQUZOWGAQIS-LSDHHAIUSA-N -1 0 344.436 3.948 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)Cc1ccccc1C(F)(F)F ZINC001324941117 961046009 /nfs/dbraw/zinc/04/60/09/961046009.db2.gz VMTUJMOYANTPLB-UHFFFAOYSA-N -1 0 337.297 3.893 20 0 EHADRM CCCC(CCC)C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001573836351 961054059 /nfs/dbraw/zinc/05/40/59/961054059.db2.gz RDASVYDQNISFTN-UHFFFAOYSA-N -1 0 325.430 3.674 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)c1cccs1 ZINC000237957032 961054437 /nfs/dbraw/zinc/05/44/37/961054437.db2.gz NIMHQWSCASFAEF-MCIONIFRSA-N -1 0 349.839 3.837 20 0 EHADRM CCCCCC[C@@H](O)CCC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC001573840620 961066850 /nfs/dbraw/zinc/06/68/50/961066850.db2.gz ILNQPUZDZIIEFM-WBVHZDCISA-N -1 0 347.455 3.703 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC(c3c[nH]c4ccccc43)CC2)cc1 ZINC000238015034 961076683 /nfs/dbraw/zinc/07/66/83/961076683.db2.gz YCKUMIMIGIFLNY-UHFFFAOYSA-N -1 0 348.402 3.886 20 0 EHADRM Nc1c(Cl)cc(NC(=O)c2ccc(C(=O)[O-])cc2)cc1Cl ZINC000238064968 961091073 /nfs/dbraw/zinc/09/10/73/961091073.db2.gz GQUXBXKBWWLIHQ-UHFFFAOYSA-N -1 0 325.151 3.526 20 0 EHADRM CC(C)(C(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC001326425696 961092091 /nfs/dbraw/zinc/09/20/91/961092091.db2.gz HSPLKQBYYIICIR-INIZCTEOSA-N -1 0 344.238 3.594 20 0 EHADRM O=C([O-])[C@H]1CCCN1C(=O)CSc1cccc2cccc(Cl)c21 ZINC000238069185 961091942 /nfs/dbraw/zinc/09/19/42/961091942.db2.gz NNMNOAPAJKOYGF-CYBMUJFWSA-N -1 0 349.839 3.661 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)CCOc2cccc(Cl)c2)c1 ZINC000238099773 961096724 /nfs/dbraw/zinc/09/67/24/961096724.db2.gz KCTKIUSJFKWMPM-UHFFFAOYSA-N -1 0 337.734 3.585 20 0 EHADRM CC(C)(C)O[C@@H]1C[C@H](NC(=O)Nc2ccccc2C(=O)[O-])C12CCC2 ZINC001588733556 961113239 /nfs/dbraw/zinc/11/32/39/961113239.db2.gz VUUSNEPJVPYNSW-LSDHHAIUSA-N -1 0 346.427 3.633 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)C2(c3cccc(Cl)c3)CC2)c1 ZINC000238142457 961124960 /nfs/dbraw/zinc/12/49/60/961124960.db2.gz NVIPJPBYNDWFAG-UHFFFAOYSA-N -1 0 333.746 3.848 20 0 EHADRM Cc1cccc(-c2cc(NC(=O)[C@@H](C)C(=O)[O-])n(-c3ccccc3)n2)c1 ZINC001574384408 961126828 /nfs/dbraw/zinc/12/68/28/961126828.db2.gz MHJHVCVFGBPNSM-CQSZACIVSA-N -1 0 349.390 3.507 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)CCCc2c[nH]c3ccccc23)c1 ZINC000238143510 961127216 /nfs/dbraw/zinc/12/72/16/961127216.db2.gz NVHRNOOUUPHMLW-UHFFFAOYSA-N -1 0 340.354 3.967 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCN(C(=O)[C@@]1(C(=O)[O-])CC=CCC1)C2 ZINC001588741441 961171797 /nfs/dbraw/zinc/17/17/97/961171797.db2.gz DKYLGCHXZUWQIF-OAQYLSRUSA-N -1 0 341.451 3.680 20 0 EHADRM CCCOc1ccc(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)c(C)c1 ZINC001573862160 961176215 /nfs/dbraw/zinc/17/62/15/961176215.db2.gz MSBOPFSDBWFKED-RMKNXTFCSA-N -1 0 329.352 3.727 20 0 EHADRM CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(C)(C)CC(=O)[O-] ZINC001328575029 961213350 /nfs/dbraw/zinc/21/33/50/961213350.db2.gz SWGMHKIOPJAMFO-NWDGAFQWSA-N -1 0 344.238 3.809 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001574401275 961229672 /nfs/dbraw/zinc/22/96/72/961229672.db2.gz DQJOZYODOYSNGC-ACJLOTCBSA-N -1 0 329.371 3.570 20 0 EHADRM Cc1cccc2c1CC(C)(C)N(C(=O)c1coc(/C=C/C(=O)[O-])c1)C2 ZINC001574402448 961243108 /nfs/dbraw/zinc/24/31/08/961243108.db2.gz KJZPCXSGFNTPCL-BQYQJAHWSA-N -1 0 339.391 3.663 20 0 EHADRM C[C@H](c1ccc(Cl)c(Cl)c1)N1CCSC[C@H]1CC(=O)[O-] ZINC000251790567 961259715 /nfs/dbraw/zinc/25/97/15/961259715.db2.gz VURYNVJGOORZQG-MWLCHTKSSA-N -1 0 334.268 3.947 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)c1coc(/C=C/C(=O)[O-])c1)C(C)(C)C ZINC001574407670 961267185 /nfs/dbraw/zinc/26/71/85/961267185.db2.gz NRBBMSZHEAHZTQ-IWAYRVGRSA-N -1 0 342.395 3.598 20 0 EHADRM Cc1cccnc1/C=C\C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001574408285 961271824 /nfs/dbraw/zinc/27/18/24/961271824.db2.gz WORMTLFLWJLINT-SREVYHEPSA-N -1 0 334.734 3.533 20 0 EHADRM Cc1conc1C(=O)Nc1scc(-c2ccsc2)c1C(=O)[O-] ZINC001574412747 961305133 /nfs/dbraw/zinc/30/51/33/961305133.db2.gz TVSWTVSWCMECDW-UHFFFAOYSA-N -1 0 334.378 3.724 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)c1ccc(C(=O)[O-])o1 ZINC001330255044 961338476 /nfs/dbraw/zinc/33/84/76/961338476.db2.gz RWVIADMPJPXXOC-HNNXBMFYSA-N -1 0 329.396 3.770 20 0 EHADRM CC(C)(Cc1ccc(Cl)cc1)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001588786282 961345522 /nfs/dbraw/zinc/34/55/22/961345522.db2.gz OENYYPLSRYOFFD-CQSZACIVSA-N -1 0 337.847 3.622 20 0 EHADRM CC(C)(NC(=O)c1ccc(C(=O)[O-])nc1)c1ccc2ccccc2c1 ZINC001588791356 961364540 /nfs/dbraw/zinc/36/45/40/961364540.db2.gz QPYKHIZGMNNIBC-UHFFFAOYSA-N -1 0 334.375 3.598 20 0 EHADRM O=C([O-])CCCc1nc(-c2ccc(Br)cc2)cs1 ZINC000259347903 961373282 /nfs/dbraw/zinc/37/32/82/961373282.db2.gz SXZPNDBNAFJZOU-UHFFFAOYSA-N -1 0 326.215 3.980 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2cc(C(F)(F)F)ccc2F)C1 ZINC000261624832 961383837 /nfs/dbraw/zinc/38/38/37/961383837.db2.gz GOKJXXNFGZNHDM-SNVBAGLBSA-N -1 0 347.308 3.562 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N(Cc2cccs2)Cc2cccs2)C1 ZINC000261871638 961396304 /nfs/dbraw/zinc/39/63/04/961396304.db2.gz XJVNWRWZSUMIFR-QWHCGFSZSA-N -1 0 349.477 3.839 20 0 EHADRM CC(C)[C@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000262034080 961410171 /nfs/dbraw/zinc/41/01/71/961410171.db2.gz HAYPEBCEURZRSG-MJBXVCDLSA-N -1 0 343.345 3.630 20 0 EHADRM Cn1cc(-c2csc(NC(=O)C=C3CCCCC3)c2C(=O)[O-])cn1 ZINC001574448635 961458709 /nfs/dbraw/zinc/45/87/09/961458709.db2.gz BWUXEJJZHMGCCY-UHFFFAOYSA-N -1 0 345.424 3.676 20 0 EHADRM Cc1cc(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)c(C)n1C(C)C ZINC000262202932 961550014 /nfs/dbraw/zinc/55/00/14/961550014.db2.gz OTBDIRZXLIJZFC-UHFFFAOYSA-N -1 0 340.423 3.583 20 0 EHADRM Cc1ccc(CCC(=O)Nc2cccc(CCC(=O)[O-])c2)c(C)c1 ZINC000262357420 961667050 /nfs/dbraw/zinc/66/70/50/961667050.db2.gz GDSVYUFZVDZKMS-UHFFFAOYSA-N -1 0 325.408 3.892 20 0 EHADRM CCc1cc(OCC(=O)Nc2ccccc2CC(=O)[O-])ccc1Cl ZINC001333755880 961726487 /nfs/dbraw/zinc/72/64/87/961726487.db2.gz DZJPYKZJEIECIG-UHFFFAOYSA-N -1 0 347.798 3.547 20 0 EHADRM Cc1ccc(CCCC(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC000262469606 961737957 /nfs/dbraw/zinc/73/79/57/961737957.db2.gz YULSREACCAZSMX-UHFFFAOYSA-N -1 0 325.408 3.974 20 0 EHADRM CC(C)[C@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccc(F)cc1 ZINC001588833922 961744231 /nfs/dbraw/zinc/74/42/31/961744231.db2.gz SPRUOCKOTUHUIW-VMSUTVGLSA-N -1 0 331.343 3.644 20 0 EHADRM C[C@H](NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-])c1cccs1 ZINC000262660293 961798186 /nfs/dbraw/zinc/79/81/86/961798186.db2.gz UGKNKOHXOUWWRR-QWRGUYRKSA-N -1 0 335.450 3.804 20 0 EHADRM CSc1ccc(O[C@@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2C)cc1 ZINC001334359594 961801720 /nfs/dbraw/zinc/80/17/20/961801720.db2.gz SOTHVJSEWMMJSK-LBPRGKRZSA-N -1 0 345.420 3.821 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)CCc2c[nH]c3ccccc23)c2ccccc21 ZINC001574521391 961856950 /nfs/dbraw/zinc/85/69/50/961856950.db2.gz JKXRTPFMRRNWCR-PKOBYXMFSA-N -1 0 348.402 3.530 20 0 EHADRM O=C([O-])CC1(CC(=O)NCc2cccc(C(F)F)c2)CCCC1 ZINC001334963324 961864114 /nfs/dbraw/zinc/86/41/14/961864114.db2.gz WBQIPURZYODDTR-UHFFFAOYSA-N -1 0 325.355 3.666 20 0 EHADRM Cc1nc(C2CCCCC2)sc1C(=O)N(C)C(C)(C)CC(=O)[O-] ZINC001334995631 961874752 /nfs/dbraw/zinc/87/47/52/961874752.db2.gz BTHHRNLHVKYINR-UHFFFAOYSA-N -1 0 338.473 3.825 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cc1 ZINC000262815846 961882198 /nfs/dbraw/zinc/88/21/98/961882198.db2.gz AKIBQAPOUBICMU-AWEZNQCLSA-N -1 0 339.391 3.785 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)C2(c3ccccc3F)CC2)cc1)C(=O)[O-] ZINC000262831556 961896552 /nfs/dbraw/zinc/89/65/52/961896552.db2.gz RAKODYVMCPFPHY-CYBMUJFWSA-N -1 0 341.382 3.759 20 0 EHADRM CC(C)(C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)C1CCCC1 ZINC000262851359 961917604 /nfs/dbraw/zinc/91/76/04/961917604.db2.gz HVZYEVRIWMPBOC-DLBZAZTESA-N -1 0 329.440 3.530 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCC[C@H](C2CCCCC2)C1)C(=O)[O-] ZINC001588850470 961919859 /nfs/dbraw/zinc/91/98/59/961919859.db2.gz MVHZDKCJTKCGAI-DLBZAZTESA-N -1 0 338.492 3.735 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000262878866 961952327 /nfs/dbraw/zinc/95/23/27/961952327.db2.gz FEPICUNVQAVIKX-KYZUINATSA-N -1 0 347.745 3.771 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1csnc1-c1ccccc1)C(=O)[O-] ZINC001588854407 961961511 /nfs/dbraw/zinc/96/15/11/961961511.db2.gz APHIVAXNWQSEKP-CYBMUJFWSA-N -1 0 347.440 3.679 20 0 EHADRM CC(C)c1cc(C(=O)N2CCC[C@](C)(C(=O)[O-])C2)c2ccccc2n1 ZINC000262916502 961998554 /nfs/dbraw/zinc/99/85/54/961998554.db2.gz FDFKFZLGQMXKOW-FQEVSTJZSA-N -1 0 340.423 3.685 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)c2cccc(Cl)c2F)c2ccccc21 ZINC001574558196 962001645 /nfs/dbraw/zinc/00/16/45/962001645.db2.gz OTQUDSDDCUOPAW-GXTWGEPZSA-N -1 0 333.746 3.522 20 0 EHADRM CC(C)CCOc1ccccc1NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001588868102 962039350 /nfs/dbraw/zinc/03/93/50/962039350.db2.gz VWQSCIYCVBGXGV-HUUCEWRRSA-N -1 0 348.443 3.686 20 0 EHADRM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(C(=O)[O-])ccn1 ZINC000262965706 962052072 /nfs/dbraw/zinc/05/20/72/962052072.db2.gz AMTDSNFZABWEMW-WMZOPIPTSA-N -1 0 338.407 3.578 20 0 EHADRM CC(C)CN(Cc1ccc(F)c(Cl)c1)C(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001588870288 962053705 /nfs/dbraw/zinc/05/37/05/962053705.db2.gz FPTBDCWIIXGBGA-CHWSQXEVSA-N -1 0 341.810 3.575 20 0 EHADRM COc1cc(NC(=O)[C@@H](c2ccccc2)C2CC2)ccc1C(=O)[O-] ZINC000262969778 962056041 /nfs/dbraw/zinc/05/60/41/962056041.db2.gz ONBTXWKKBXLDMY-KRWDZBQOSA-N -1 0 325.364 3.526 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)NCC2(Cc3ccccc3)CCCC2)CC1 ZINC000262972425 962060408 /nfs/dbraw/zinc/06/04/08/962060408.db2.gz SAIWWZHUGVCFTR-IYARVYRRSA-N -1 0 343.467 3.797 20 0 EHADRM CCC[C@H](C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000262979969 962070752 /nfs/dbraw/zinc/07/07/52/962070752.db2.gz UFEYBPGOWIJZGZ-ZWKOTPCHSA-N -1 0 343.398 3.694 20 0 EHADRM C[C@@H](CNC(=O)c1cc(C(=O)[O-])co1)c1ccc(C(F)(F)F)cc1 ZINC000262981805 962072364 /nfs/dbraw/zinc/07/23/64/962072364.db2.gz NKPQEANAZIHRGA-VIFPVBQESA-N -1 0 341.285 3.530 20 0 EHADRM C[C@H](CNC(=O)c1cc(C(=O)[O-])co1)c1ccc(C(F)(F)F)cc1 ZINC000262981803 962072496 /nfs/dbraw/zinc/07/24/96/962072496.db2.gz NKPQEANAZIHRGA-SECBINFHSA-N -1 0 341.285 3.530 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000262996092 962088857 /nfs/dbraw/zinc/08/88/57/962088857.db2.gz QTZNTKMBWSTQQP-NHYWBVRUSA-N -1 0 345.370 3.578 20 0 EHADRM Cc1ccccc1C1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC1 ZINC000263004771 962099983 /nfs/dbraw/zinc/09/99/83/962099983.db2.gz XSSUWFJOKXAZAR-QAQDUYKDSA-N -1 0 329.440 3.592 20 0 EHADRM CC(C)(C(=O)NCCCCC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001340581934 962108692 /nfs/dbraw/zinc/10/86/92/962108692.db2.gz CQZIXECTCGTMHL-UHFFFAOYSA-N -1 0 332.227 3.642 20 0 EHADRM CC(C)CON(CC1CCCCC1)C(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC001588875391 962110709 /nfs/dbraw/zinc/11/07/09/962110709.db2.gz GGSBSFPCNGOBAY-HNNXBMFYSA-N -1 0 327.465 3.730 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-c2cccc(F)c2)s1 ZINC001574588217 962118314 /nfs/dbraw/zinc/11/83/14/962118314.db2.gz RPZZURYJOXOJLH-OLZOCXBDSA-N -1 0 333.384 3.537 20 0 EHADRM O=C([O-])C1CCC(NC(=O)c2ccc(-c3ccccc3)s2)CC1 ZINC001341586810 962142312 /nfs/dbraw/zinc/14/23/12/962142312.db2.gz JTBIXZQDGMCPNY-UHFFFAOYSA-N -1 0 329.421 3.788 20 0 EHADRM CC[C@H](CC(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000263036542 962156990 /nfs/dbraw/zinc/15/69/90/962156990.db2.gz ZHIOICGIDDVTLE-RDTXWAMCSA-N -1 0 343.398 3.694 20 0 EHADRM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)CCCCCc1cccs1 ZINC000263040016 962162487 /nfs/dbraw/zinc/16/24/87/962162487.db2.gz RJUCSFSHSCDEEP-QRTARXTBSA-N -1 0 335.469 3.563 20 0 EHADRM CCCC[C@@H](NCc1nc(-c2cccc(OC)c2)cs1)C(=O)[O-] ZINC001343427553 962165296 /nfs/dbraw/zinc/16/52/96/962165296.db2.gz PTNQZFWGRAJZHL-CQSZACIVSA-N -1 0 334.441 3.552 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000263050056 962180465 /nfs/dbraw/zinc/18/04/65/962180465.db2.gz DUCRSKFGDDXJNC-LZLYRXPVSA-N -1 0 341.382 3.532 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001345075810 962221413 /nfs/dbraw/zinc/22/14/13/962221413.db2.gz BTNAXSXLCXRJPF-KRWDZBQOSA-N -1 0 327.380 3.798 20 0 EHADRM CCC[C@H](C)CC(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC000263093584 962242967 /nfs/dbraw/zinc/24/29/67/962242967.db2.gz SVKQMYWIVLJMOV-HNNXBMFYSA-N -1 0 331.456 3.992 20 0 EHADRM CCc1ccccc1CC(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000263095185 962244286 /nfs/dbraw/zinc/24/42/86/962244286.db2.gz IGLIBASCWSGQIX-SFHVURJKSA-N -1 0 325.408 3.514 20 0 EHADRM Cc1cc(C(=O)N[C@H](C)CC(=O)[O-])sc1-c1cccc(Cl)c1 ZINC000263112570 962263947 /nfs/dbraw/zinc/26/39/47/962263947.db2.gz PYLYSYZYBKYONJ-SNVBAGLBSA-N -1 0 337.828 3.970 20 0 EHADRM COCc1cc(NC(=O)[C@H]2CCCc3ccccc32)cc(C(=O)[O-])c1 ZINC000263117032 962269737 /nfs/dbraw/zinc/26/97/37/962269737.db2.gz QPFNUHCALLQQHA-SFHVURJKSA-N -1 0 339.391 3.590 20 0 EHADRM CC(C)Cc1ccc(CCCC(=O)N(CC(=O)[O-])C2CCC2)cc1 ZINC001588905934 962271669 /nfs/dbraw/zinc/27/16/69/962271669.db2.gz AOSQCZMKBGJRCP-UHFFFAOYSA-N -1 0 331.456 3.674 20 0 EHADRM O=C([O-])C1(C(=O)NC[C@H]2CCCc3ccccc32)CCCCCC1 ZINC001574629888 962294512 /nfs/dbraw/zinc/29/45/12/962294512.db2.gz HYFXLZFJZZWPAJ-MRXNPFEDSA-N -1 0 329.440 3.648 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3CCC[C@@](C)(C(=O)[O-])C3)s2)o1 ZINC000263139820 962294532 /nfs/dbraw/zinc/29/45/32/962294532.db2.gz ZQPCPWQNOUKMQD-QGZVFWFLSA-N -1 0 333.409 3.643 20 0 EHADRM C[C@H](NC(=O)C1CCCCCCC1)c1ccc(OCC(=O)[O-])cc1 ZINC000263142022 962296300 /nfs/dbraw/zinc/29/63/00/962296300.db2.gz UFVOWFBEBWSRLC-AWEZNQCLSA-N -1 0 333.428 3.688 20 0 EHADRM Cc1cccc(C)c1OCC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000263165694 962317269 /nfs/dbraw/zinc/31/72/69/962317269.db2.gz FGZKHTCRKZMBBQ-CQSZACIVSA-N -1 0 327.380 3.509 20 0 EHADRM Cc1cc2c(cc1C)[C@@H](C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1)CO2 ZINC000263195656 962349099 /nfs/dbraw/zinc/34/90/99/962349099.db2.gz JDEKPDGHUDJLNA-DYVFJYSZSA-N -1 0 339.391 3.606 20 0 EHADRM O=C([O-])C1(C(=O)Nc2nc3c(ccc4c3CCCC4)s2)CC=CC1 ZINC001574641434 962357596 /nfs/dbraw/zinc/35/75/96/962357596.db2.gz VVYSSHCKXKWFGR-UHFFFAOYSA-N -1 0 342.420 3.535 20 0 EHADRM C[C@H](C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-])c1c(F)cccc1F ZINC000263217065 962371122 /nfs/dbraw/zinc/37/11/22/962371122.db2.gz XUAHVWSIMGILIK-PRXAMGSTSA-N -1 0 347.361 3.647 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C(C)(C)COCc1ccccc1 ZINC000263221938 962373472 /nfs/dbraw/zinc/37/34/72/962373472.db2.gz ZBAZNYGLVZQQQV-UHFFFAOYSA-N -1 0 341.407 3.875 20 0 EHADRM COc1ccc(-c2cc(C(=O)N(C)C[C@H](C)C(=O)[O-])sc2C)cc1 ZINC000263222378 962375782 /nfs/dbraw/zinc/37/57/82/962375782.db2.gz ZDEHHSPNCMAOMQ-NSHDSACASA-N -1 0 347.436 3.525 20 0 EHADRM C[C@H]1CCCc2ccccc2[C@H]1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263234957 962382562 /nfs/dbraw/zinc/38/25/62/962382562.db2.gz MXRZZFGMFUTHPZ-CUGJKRCDSA-N -1 0 344.455 3.643 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000263244392 962387973 /nfs/dbraw/zinc/38/79/73/962387973.db2.gz CUMUDYYCTKYSQH-KRWDZBQOSA-N -1 0 328.412 3.867 20 0 EHADRM CC[C@H](C)Sc1ccc(NC(=O)c2cnc(C(=O)[O-])cn2)c(C)c1 ZINC000263283504 962422336 /nfs/dbraw/zinc/42/23/36/962422336.db2.gz PAAYFUIXALLVGV-NSHDSACASA-N -1 0 345.424 3.626 20 0 EHADRM CCC(CC)n1nc(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)cc1C ZINC000263320264 962461313 /nfs/dbraw/zinc/46/13/13/962461313.db2.gz NJHNRNGMWORHTM-ZDUSSCGKSA-N -1 0 343.427 3.993 20 0 EHADRM O=C([O-])CCCCC(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000263324944 962467760 /nfs/dbraw/zinc/46/77/60/962467760.db2.gz SNNJQZRWBUSJDM-UHFFFAOYSA-N -1 0 343.345 3.841 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000263324375 962467984 /nfs/dbraw/zinc/46/79/84/962467984.db2.gz OGSBZWFSRDQBKP-CHWSQXEVSA-N -1 0 329.371 3.831 20 0 EHADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1cc2sc3ccccc3c2s1 ZINC000263332737 962478872 /nfs/dbraw/zinc/47/88/72/962478872.db2.gz QFZDFUGDZCDOJD-DTORHVGOSA-N -1 0 331.418 3.709 20 0 EHADRM Cc1cccc(OCCCC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c1 ZINC000263334860 962483583 /nfs/dbraw/zinc/48/35/83/962483583.db2.gz QQBJSZKULDCIFC-HNNXBMFYSA-N -1 0 341.407 3.981 20 0 EHADRM CC(C)Oc1ccccc1CC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000263340425 962490686 /nfs/dbraw/zinc/49/06/86/962490686.db2.gz RSOGPWHWBXQCCB-AWEZNQCLSA-N -1 0 341.407 3.843 20 0 EHADRM CCSc1ccc([C@@H](C)NC(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000263349235 962501225 /nfs/dbraw/zinc/50/12/25/962501225.db2.gz OXWACJWZMBTAFN-CYBMUJFWSA-N -1 0 343.448 3.917 20 0 EHADRM C[C@H](CCOc1ccccc1)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000263351481 962503347 /nfs/dbraw/zinc/50/33/47/962503347.db2.gz VRGRCVQOTRNSQI-HUUCEWRRSA-N -1 0 341.407 3.918 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N(CCc2cccc(F)c2)C2CC2)c1 ZINC000263363293 962520015 /nfs/dbraw/zinc/52/00/15/962520015.db2.gz ZAYROCJUHIDYQM-UHFFFAOYSA-N -1 0 341.382 3.680 20 0 EHADRM O=C([O-])CC1(C(=O)Oc2cc(Cl)cc(Br)c2)CCC1 ZINC001574675533 962558609 /nfs/dbraw/zinc/55/86/09/962558609.db2.gz LRFKTZCVOZTCNH-UHFFFAOYSA-N -1 0 347.592 3.653 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CCCC[C@@H]1c1ccc(C)cc1 ZINC000263405540 962570081 /nfs/dbraw/zinc/57/00/81/962570081.db2.gz HOMGJYWJAMSSKP-MRXNPFEDSA-N -1 0 341.407 3.891 20 0 EHADRM O=C([O-])CCCNC(=O)N[C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000263435268 962613332 /nfs/dbraw/zinc/61/33/32/962613332.db2.gz ZSIINOXWYUWKBO-HIFRSBDPSA-N -1 0 338.835 3.530 20 0 EHADRM O=C([O-])c1cccc(CNc2ccccc2OC[C@@H]2CCCCO2)c1 ZINC000263452156 962638997 /nfs/dbraw/zinc/63/89/97/962638997.db2.gz GMPDDQCXNVWDRA-KRWDZBQOSA-N -1 0 341.407 3.945 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)C(C)(C)c1ccccc1 ZINC001352986879 962644497 /nfs/dbraw/zinc/64/44/97/962644497.db2.gz DDTKQYWTNFOPQR-CVEARBPZSA-N -1 0 346.471 3.639 20 0 EHADRM CC(C)c1cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)c2ccccc2n1 ZINC001588964146 962644817 /nfs/dbraw/zinc/64/48/17/962644817.db2.gz SWIZWUDUBQMSEE-UONOGXRCSA-N -1 0 340.423 3.684 20 0 EHADRM CC(C)c1cc(C(=O)NC[C@@H](C(=O)[O-])C(C)C)c(O)c(C(C)C)c1 ZINC001588964152 962645489 /nfs/dbraw/zinc/64/54/89/962645489.db2.gz SXVJLUJIRAMWQW-MRXNPFEDSA-N -1 0 335.444 3.726 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000263468430 962654951 /nfs/dbraw/zinc/65/49/51/962654951.db2.gz XELTZLBABOMPBO-HNNXBMFYSA-N -1 0 329.396 3.732 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263472790 962660146 /nfs/dbraw/zinc/66/01/46/962660146.db2.gz LURMOJROCNQSMO-OCLKOUHBSA-N -1 0 344.455 3.606 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2C(=O)[O-])CCS1 ZINC000263478542 962664734 /nfs/dbraw/zinc/66/47/34/962664734.db2.gz ZVJOHDOVHMCIPL-CYBMUJFWSA-N -1 0 341.432 3.629 20 0 EHADRM C[C@H](CN(C)c1cc(C(F)F)nc2ccc(Cl)cc21)C(=O)[O-] ZINC000263516268 962698663 /nfs/dbraw/zinc/69/86/63/962698663.db2.gz ACTHBEZFWHJUMW-MRVPVSSYSA-N -1 0 328.746 3.983 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N2CCc3cc(Cl)ccc3C2)cc1 ZINC000263531118 962711887 /nfs/dbraw/zinc/71/18/87/962711887.db2.gz MKTOUVMYOFGTBP-UHFFFAOYSA-N -1 0 343.810 3.556 20 0 EHADRM Cc1ccc2c(C(=O)N3C[C@@H]4CCC[C@@H]4[C@H]3C(=O)[O-])csc2c1 ZINC000263531914 962712041 /nfs/dbraw/zinc/71/20/41/962712041.db2.gz MXYAWHNXYQQAFO-MKBNYLNASA-N -1 0 329.421 3.535 20 0 EHADRM O=C([O-])CN(CC1CC1)c1nc(-c2ccccc2)nc2ccccc21 ZINC001574716255 962725385 /nfs/dbraw/zinc/72/53/85/962725385.db2.gz NXQHQEOVDRJXMK-UHFFFAOYSA-N -1 0 333.391 3.598 20 0 EHADRM CON(C(=O)c1ccc(-c2ccc(C)c(C)c2)cc1F)[C@@H](C)C(=O)[O-] ZINC001574170611 962769479 /nfs/dbraw/zinc/76/94/79/962769479.db2.gz OUXBJHMSFGYFMP-ZDUSSCGKSA-N -1 0 345.370 3.586 20 0 EHADRM CON(C(=O)c1ccc(-c2ccc(C)c(C)c2)cc1F)[C@H](C)C(=O)[O-] ZINC001574170610 962770239 /nfs/dbraw/zinc/77/02/39/962770239.db2.gz OUXBJHMSFGYFMP-CYBMUJFWSA-N -1 0 345.370 3.586 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)c2ccc(C(F)F)o2)(C(=O)[O-])c2ccccc21 ZINC001517448004 962802066 /nfs/dbraw/zinc/80/20/66/962802066.db2.gz NRJRFAMPMYOKON-YPMLDQLKSA-N -1 0 349.333 3.824 20 0 EHADRM C/C(=C\c1cccnc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001573340229 962898599 /nfs/dbraw/zinc/89/85/99/962898599.db2.gz NDBVMXSHBLJPGX-VQHVLOKHSA-N -1 0 334.734 3.614 20 0 EHADRM C/C(=C\c1c(Cl)cccc1Cl)C(=O)N(CC(=O)[O-])C(C)C ZINC001573340738 962900312 /nfs/dbraw/zinc/90/03/12/962900312.db2.gz YUYVDCRARXSYRX-JXMROGBWSA-N -1 0 330.211 3.718 20 0 EHADRM CC(C)(C)C[C@H]1CCN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)C1 ZINC000307838515 963231766 /nfs/dbraw/zinc/23/17/66/963231766.db2.gz XSDZEYGPFRBAEN-OAHLLOKOSA-N -1 0 332.444 3.994 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Nc2ccc(C#N)c(F)c2)cc1 ZINC000307905722 963238286 /nfs/dbraw/zinc/23/82/86/963238286.db2.gz CDUNESUOEJMLLE-UHFFFAOYSA-N -1 0 341.342 3.704 20 0 EHADRM O=C([O-])[C@@]1(C(F)(F)F)CCN(Cc2cc(Cl)sc2Cl)C1 ZINC000308352171 963269219 /nfs/dbraw/zinc/26/92/19/963269219.db2.gz SRIYHZOZTSMKOH-SNVBAGLBSA-N -1 0 348.173 3.894 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1ccccc1OCc1ccccc1 ZINC000310332117 963399501 /nfs/dbraw/zinc/39/95/01/963399501.db2.gz KHWQTAUPSKAIFF-UHFFFAOYSA-N -1 0 327.380 3.849 20 0 EHADRM O=C([O-])c1cc(Br)ccc1NC(=O)[C@H]1CCC(F)(F)C1 ZINC000312133192 963538496 /nfs/dbraw/zinc/53/84/96/963538496.db2.gz UFIAFQGVPVHVKX-ZETCQYMHSA-N -1 0 348.143 3.521 20 0 EHADRM O=C([O-])c1ccc(OCc2nc(-c3cccs3)no2)c(Cl)c1 ZINC000314891629 963826197 /nfs/dbraw/zinc/82/61/97/963826197.db2.gz DOKYOKVAHSTOOD-UHFFFAOYSA-N -1 0 336.756 3.729 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2cc(Cl)ccc2OC)s1 ZINC000315987621 963961334 /nfs/dbraw/zinc/96/13/34/963961334.db2.gz HQRRYTVVDHRGIX-UHFFFAOYSA-N -1 0 339.800 3.923 20 0 EHADRM Cc1cc(C(=O)[O-])c(NC(=O)c2ccc(OC(F)F)cc2)s1 ZINC000316088260 963974453 /nfs/dbraw/zinc/97/44/53/963974453.db2.gz RBOHJQIMQWPGGQ-UHFFFAOYSA-N -1 0 327.308 3.608 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000263222308 967863826 /nfs/dbraw/zinc/86/38/26/967863826.db2.gz PINWFKZSHXUNPM-GRYCIOLGSA-N -1 0 341.860 3.532 20 0 EHADRM CC[C@H](NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1ccc(Cl)s1 ZINC000263327080 967872223 /nfs/dbraw/zinc/87/22/23/967872223.db2.gz KTUIMMPKPOZKNT-VWYCJHECSA-N -1 0 344.864 3.605 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)N[C@H](C)c2cc(C)sc2C)C1 ZINC000320423529 968006352 /nfs/dbraw/zinc/00/63/52/968006352.db2.gz IBWQNWOBQSVBNH-PXAZEXFGSA-N -1 0 338.473 3.712 20 0 EHADRM Cc1[nH]c2ccc(C(=O)N3CCc4ccccc4[C@H]3C(=O)[O-])cc2c1C ZINC000362662334 968056078 /nfs/dbraw/zinc/05/60/78/968056078.db2.gz HTSWXYREVRNLLK-IBGZPJMESA-N -1 0 348.402 3.609 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2ccccc2SC(F)F)CCCC1 ZINC000385997172 968133738 /nfs/dbraw/zinc/13/37/38/968133738.db2.gz MUQGQSHYEJVHRE-UHFFFAOYSA-N -1 0 330.356 3.520 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCc1ccc(-c2ccccc2)o1 ZINC000422580327 968348400 /nfs/dbraw/zinc/34/84/00/968348400.db2.gz KLDDLIPCPLXWMR-GDBMZVCRSA-N -1 0 341.407 3.591 20 0 EHADRM C[C@H]1CCCN(Cc2csc(-c3ccc(F)cc3)n2)[C@H]1C(=O)[O-] ZINC000424276392 968356656 /nfs/dbraw/zinc/35/66/56/968356656.db2.gz YJVNPLVWPPQNSD-XHDPSFHLSA-N -1 0 334.416 3.634 20 0 EHADRM Cc1nc(-c2ccccc2)sc1NC(=O)NCCC(C)(C)C(=O)[O-] ZINC000424385305 968358046 /nfs/dbraw/zinc/35/80/46/968358046.db2.gz TVKQKDKXZJFBKR-UHFFFAOYSA-N -1 0 347.440 3.741 20 0 EHADRM CCOc1ccc(Cl)c(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000424392978 968359213 /nfs/dbraw/zinc/35/92/13/968359213.db2.gz VLHAEQPQNOBARJ-LLVKDONJSA-N -1 0 342.823 3.607 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccccc2OC2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000567879371 968436746 /nfs/dbraw/zinc/43/67/46/968436746.db2.gz SCULIXKSNDUWEP-PBHICJAKSA-N -1 0 345.439 3.581 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)C[C@@H]1C(=O)[O-] ZINC000567879357 968436864 /nfs/dbraw/zinc/43/68/64/968436864.db2.gz RSTUJKSFOQOLFC-PELKAZGASA-N -1 0 349.736 3.542 20 0 EHADRM C[C@@H]1CCN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C)C[C@@H]1C(=O)[O-] ZINC000577726790 968465683 /nfs/dbraw/zinc/46/56/83/968465683.db2.gz GXLGETXSZQTSQN-KBMXLJTQSA-N -1 0 332.444 3.526 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655581459 968687179 /nfs/dbraw/zinc/68/71/79/968687179.db2.gz ZEQZPVIQWRXKAT-UTJXIGIESA-N -1 0 347.455 3.729 20 0 EHADRM C[C@@H](NC(=O)N1C[C@@H](C)[C@@H]1c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655905263 968713493 /nfs/dbraw/zinc/71/34/93/968713493.db2.gz RSJMCCQFUKGDFY-MAURAIGZSA-N -1 0 344.455 3.524 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)c2ccc(F)s2)CC1 ZINC000659763556 968747504 /nfs/dbraw/zinc/74/75/04/968747504.db2.gz DUYSBSIBJNSYBP-UHFFFAOYSA-N -1 0 333.384 3.605 20 0 EHADRM O=C([O-])COc1ccc(C(=O)N2CCC[C@@H](C3CCCCC3)C2)cc1 ZINC000659785344 968750879 /nfs/dbraw/zinc/75/08/79/968750879.db2.gz OLADDWZPFYYTLI-QGZVFWFLSA-N -1 0 345.439 3.583 20 0 EHADRM CSc1cc(N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)nc(SC)n1 ZINC000662884463 968759753 /nfs/dbraw/zinc/75/97/53/968759753.db2.gz UNTDFEHIVQMHSF-VXGBXAGGSA-N -1 0 347.465 3.646 20 0 EHADRM CC(C)[C@@H]1C[C@H]1CNC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666550538 968844489 /nfs/dbraw/zinc/84/44/89/968844489.db2.gz BAUSNEKEEAUASR-YJBOKZPZSA-N -1 0 344.455 3.566 20 0 EHADRM O=C([O-])CCCCNC(=O)N1CC=C(c2cccc3ccccc32)C1 ZINC000666561638 968845220 /nfs/dbraw/zinc/84/52/20/968845220.db2.gz IZSRSPPRYWOFFY-UHFFFAOYSA-N -1 0 338.407 3.503 20 0 EHADRM CCc1cc2c(CC(=O)N3CCCC[C@@H]3C(=O)[O-])csc2s1 ZINC000864100423 969314210 /nfs/dbraw/zinc/31/42/10/969314210.db2.gz SZHXBZVYAHBVMT-CYBMUJFWSA-N -1 0 337.466 3.533 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)C1CC1 ZINC000864109895 969315230 /nfs/dbraw/zinc/31/52/30/969315230.db2.gz ZJKMVEWXRRDCCL-FYGXRCCRSA-N -1 0 325.364 3.567 20 0 EHADRM C[C@H](NC(=O)c1cscc1C(F)F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000902025083 969508584 /nfs/dbraw/zinc/50/85/84/969508584.db2.gz DAQNJWIKEGQCAB-BKDNQFJXSA-N -1 0 331.384 3.551 20 0 EHADRM CCCOc1cccc(NC(=O)N2CCC[C@@](CC)(C(=O)[O-])C2)c1 ZINC000925935737 969656099 /nfs/dbraw/zinc/65/60/99/969656099.db2.gz ZDKFYJPDXVTGAP-GOSISDBHSA-N -1 0 334.416 3.584 20 0 EHADRM Cc1ccc(NC(=O)c2cc(Cl)c(N)c(Cl)c2)cc1C(=O)[O-] ZINC000317070987 970323958 /nfs/dbraw/zinc/32/39/58/970323958.db2.gz NBPACBZOGCXLOY-UHFFFAOYSA-N -1 0 339.178 3.835 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)NCCc2ccc(Cl)s2)c1 ZINC000319091627 970503202 /nfs/dbraw/zinc/50/32/02/970503202.db2.gz IXCUQCJHXQSONJ-UHFFFAOYSA-N -1 0 342.779 3.603 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)c2ccc3ccccc3n2)c1 ZINC000319255048 970518460 /nfs/dbraw/zinc/51/84/60/970518460.db2.gz OYIIWZFEICZKGH-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM C[C@@H]1CCN(C(=O)CCSc2ccccc2Cl)[C@@H](C(=O)[O-])C1 ZINC000319368391 970530592 /nfs/dbraw/zinc/53/05/92/970530592.db2.gz YKNSGEFHNKCVJQ-DGCLKSJQSA-N -1 0 341.860 3.534 20 0 EHADRM C[C@H]1C[C@H](c2cccnc2)N(C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC001609847153 970550199 /nfs/dbraw/zinc/55/01/99/970550199.db2.gz SUKMXVRBSZLMQO-MEDUHNTESA-N -1 0 343.358 3.534 20 0 EHADRM CCC1CCC(NC(=O)c2csc3c2CCCC3)(C(=O)[O-])CC1 ZINC000319931163 970591473 /nfs/dbraw/zinc/59/14/73/970591473.db2.gz GBFAJLCLVIRKPV-UHFFFAOYSA-N -1 0 335.469 3.780 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)CCOc1ccc(F)cc1 ZINC000320066669 970608824 /nfs/dbraw/zinc/60/88/24/970608824.db2.gz UAQCTBQNOGVFLT-UHFFFAOYSA-N -1 0 337.734 3.585 20 0 EHADRM COc1ccc(C(=O)[O-])cc1COc1cc([N+](=O)[O-])ccc1Cl ZINC000320386498 970657286 /nfs/dbraw/zinc/65/72/86/970657286.db2.gz CDTZXEHGRZFDMH-UHFFFAOYSA-N -1 0 337.715 3.534 20 0 EHADRM Cc1sc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)c(C(=O)[O-])c1C ZINC000320693939 970700574 /nfs/dbraw/zinc/70/05/74/970700574.db2.gz QTAYFEKMUURBDW-LLVKDONJSA-N -1 0 333.409 3.778 20 0 EHADRM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000320795182 970716013 /nfs/dbraw/zinc/71/60/13/970716013.db2.gz LQYHMRFUIJZYEZ-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM CN(CCC(=O)[O-])C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001604133913 972543602 /nfs/dbraw/zinc/54/36/02/972543602.db2.gz MLIQSWUFWGSYKK-QGZVFWFLSA-N -1 0 346.814 3.546 20 0 EHADRM O=C([O-])c1csc(SCCC(=O)Nc2cccc(Cl)c2)n1 ZINC000393351242 972588315 /nfs/dbraw/zinc/58/83/15/972588315.db2.gz OPFWEBPMGNLSKQ-UHFFFAOYSA-N -1 0 342.829 3.616 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)OCc1c(Cl)ccc(F)c1Cl ZINC001603323923 972664360 /nfs/dbraw/zinc/66/43/60/972664360.db2.gz NMDGOFKBIIHBLK-CQSZACIVSA-N -1 0 335.158 3.677 20 0 EHADRM CC1(C)CC[C@@H](C(=O)Nc2cc(C(=O)[O-])n[nH]2)[C@H](c2ccccc2)C1 ZINC001603327092 972672768 /nfs/dbraw/zinc/67/27/68/972672768.db2.gz GDFVAFRKUABXKA-KGLIPLIRSA-N -1 0 341.411 3.657 20 0 EHADRM CC1(C)CCCC[C@@H]1NC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001603328716 972681093 /nfs/dbraw/zinc/68/10/93/972681093.db2.gz BQDLSYHGXVAANI-JYJNAYRXSA-N -1 0 330.428 3.568 20 0 EHADRM O=C([O-])[C@H](C(=O)N1CC[C@@H](c2ccccc2)c2ccccc21)C1CC1 ZINC001605891715 972690195 /nfs/dbraw/zinc/69/01/95/972690195.db2.gz ZJYCQRLBJYUUIK-LPHOPBHVSA-N -1 0 335.403 3.666 20 0 EHADRM O=C([O-])[C@H](C(=O)N1CCC(=Cc2ccccc2F)CC1)C1CCCC1 ZINC001605891652 972690352 /nfs/dbraw/zinc/69/03/52/972690352.db2.gz YYGLBRLPXWERMX-SFHVURJKSA-N -1 0 345.414 3.723 20 0 EHADRM O=C([O-])[C@H](C(=O)N1CC[C@H](c2ccccc2)c2ccccc21)C1CC1 ZINC001605891713 972690496 /nfs/dbraw/zinc/69/04/96/972690496.db2.gz ZJYCQRLBJYUUIK-APWZRJJASA-N -1 0 335.403 3.666 20 0 EHADRM O=C([O-])[C@H](C(=O)N[C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1)C1CC1 ZINC001605892812 972695115 /nfs/dbraw/zinc/69/51/15/972695115.db2.gz HMWFNFUZUSPZJV-BMFZPTHFSA-N -1 0 335.831 3.593 20 0 EHADRM O=C([O-])[C@@H](C(=O)NCc1ccc(Sc2ccccc2)cc1)C1CC1 ZINC001605898008 972707571 /nfs/dbraw/zinc/70/75/71/972707571.db2.gz HLAPFCVEXHSTCR-QGZVFWFLSA-N -1 0 341.432 3.565 20 0 EHADRM C[C@@H](c1ccccc1)N(C)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000394925069 972766311 /nfs/dbraw/zinc/76/63/11/972766311.db2.gz QEEFGFNCEHURNX-AWEZNQCLSA-N -1 0 326.396 3.929 20 0 EHADRM Cc1cc(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)nc2ccccc12 ZINC001605122561 972784236 /nfs/dbraw/zinc/78/42/36/972784236.db2.gz NADKGZKEMAFWRN-SJLPKXTDSA-N -1 0 346.386 3.586 20 0 EHADRM Cc1cc(C(C)(C)C)ccc1OCCCC(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC001605140187 972809855 /nfs/dbraw/zinc/80/98/55/972809855.db2.gz FPDWQXDFFUOZKD-OAHLLOKOSA-N -1 0 349.471 3.631 20 0 EHADRM CC(C)(CCNc1cccc2cc(Br)cnc21)C(=O)[O-] ZINC000395682806 972822344 /nfs/dbraw/zinc/82/23/44/972822344.db2.gz RMNZVYTYZNVFSD-UHFFFAOYSA-N -1 0 337.217 3.910 20 0 EHADRM Cc1cc(Cl)c(NC(=O)c2cccc(OCC(=O)[O-])c2)cc1C ZINC001605172466 972877569 /nfs/dbraw/zinc/87/75/69/972877569.db2.gz FIBLOWQMUSAXQC-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2CC=C(C(F)(F)F)CC2)cc1 ZINC000396426221 972880339 /nfs/dbraw/zinc/88/03/39/972880339.db2.gz GRNHQAQTAOOGSB-JTQLQIEISA-N -1 0 342.317 3.601 20 0 EHADRM COc1ccc(C(=O)[O-])cc1COc1ccc(Cl)c(F)c1F ZINC000396591201 972919081 /nfs/dbraw/zinc/91/90/81/972919081.db2.gz XAIUFODGVGSWCR-UHFFFAOYSA-N -1 0 328.698 3.904 20 0 EHADRM Cc1ccccc1CN(C)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000396659361 972932104 /nfs/dbraw/zinc/93/21/04/972932104.db2.gz XQORMWDKEWMIAD-AWEZNQCLSA-N -1 0 326.396 3.847 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1cc(-c2ccccc2)ns1 ZINC001603381647 972964644 /nfs/dbraw/zinc/96/46/44/972964644.db2.gz TVVHSHJDQXVPBX-WCQYABFASA-N -1 0 345.424 3.527 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001603383207 972977794 /nfs/dbraw/zinc/97/77/94/972977794.db2.gz QKKFPYIDXBWESK-FGPFUNDFSA-N -1 0 342.439 3.662 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1cccc(C(C)(F)F)c1 ZINC001603388137 972987265 /nfs/dbraw/zinc/98/72/65/972987265.db2.gz GEUYTADKAJWFKN-QWRGUYRKSA-N -1 0 326.343 3.515 20 0 EHADRM Cc1ccc(C(C)(C)CNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)c(C)c1 ZINC001605256465 973027279 /nfs/dbraw/zinc/02/72/79/973027279.db2.gz WDXCOHWJNIEEOF-HXUWFJFHSA-N -1 0 329.440 3.508 20 0 EHADRM Cc1ccc(CCC2CCN(C(=O)[C@@H](C(=O)[O-])C(C)C)CC2)cc1 ZINC001605270908 973052081 /nfs/dbraw/zinc/05/20/81/973052081.db2.gz SDBTYQJNVLJDGF-SFHVURJKSA-N -1 0 331.456 3.523 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CCNC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001603404673 973054783 /nfs/dbraw/zinc/05/47/83/973054783.db2.gz CUPZKJHJGIERED-JXXFODFXSA-N -1 0 346.471 3.545 20 0 EHADRM C[C@H]1CCCN(C(=O)CCc2c(Cl)cccc2Cl)[C@H]1C(=O)[O-] ZINC001603407658 973071487 /nfs/dbraw/zinc/07/14/87/973071487.db2.gz NJWOYPSGFAGJOD-ZUZCIYMTSA-N -1 0 344.238 3.638 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)cn2)cc1 ZINC001605303491 973119573 /nfs/dbraw/zinc/11/95/73/973119573.db2.gz XMLCVHGZOBWMGP-UONOGXRCSA-N -1 0 340.379 3.622 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)c[nH]2)C[C@H]1C(=O)[O-] ZINC001603425330 973145971 /nfs/dbraw/zinc/14/59/71/973145971.db2.gz LBTWUBJOAPPCCM-IAQYHMDHSA-N -1 0 346.814 3.518 20 0 EHADRM Cc1ccc2snc(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c2c1 ZINC001605318897 973149781 /nfs/dbraw/zinc/14/97/81/973149781.db2.gz NNUOVNSJLCCFIY-GFCCVEGCSA-N -1 0 334.441 3.614 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@H]1COc2ccc(Cl)cc2C1 ZINC001605320180 973152292 /nfs/dbraw/zinc/15/22/92/973152292.db2.gz BPTBSBMSVQFKSC-GFCCVEGCSA-N -1 0 345.782 3.536 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC001605320168 973152444 /nfs/dbraw/zinc/15/24/44/973152444.db2.gz BELLHPXJDHALHS-NEPJUHHUSA-N -1 0 331.318 3.714 20 0 EHADRM Cc1cccc([C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C(=O)[O-])c1 ZINC001605327555 973168843 /nfs/dbraw/zinc/16/88/43/973168843.db2.gz DLTKUBOWPPEEBG-GVDBMIGSSA-N -1 0 343.810 3.694 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2cscc2C(F)F)C(=O)[O-])c1 ZINC001605328034 973176708 /nfs/dbraw/zinc/17/67/08/973176708.db2.gz JYEXVRPWSJWLPN-LBPRGKRZSA-N -1 0 325.336 3.550 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)Nc2ccnc(-c3ccccc3)c2)co1 ZINC001606063579 973191845 /nfs/dbraw/zinc/19/18/45/973191845.db2.gz BXCKIJHEZJVRSX-SREVYHEPSA-N -1 0 334.331 3.692 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2ccc(C(F)(F)F)cc2)C(=O)[O-])c1 ZINC001605329203 973194142 /nfs/dbraw/zinc/19/41/42/973194142.db2.gz VJRMAIMQASZERU-CQSZACIVSA-N -1 0 337.297 3.570 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)N2CCCSc3ccc(F)cc32)co1 ZINC001606063778 973194584 /nfs/dbraw/zinc/19/45/84/973194584.db2.gz UJYCEHNOZGBYKR-HYXAFXHYSA-N -1 0 347.367 3.659 20 0 EHADRM Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)NC1CCC(C(=O)[O-])CC1 ZINC001605347410 973244070 /nfs/dbraw/zinc/24/40/70/973244070.db2.gz KUNCXHWQDIVNHE-UIDBIOKJSA-N -1 0 329.440 3.736 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001605357355 973275887 /nfs/dbraw/zinc/27/58/87/973275887.db2.gz YWTMKCVCRLXNIR-XJKSGUPXSA-N -1 0 328.343 3.510 20 0 EHADRM Cc1cncc(C(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)c1 ZINC001605376347 973332486 /nfs/dbraw/zinc/33/24/86/973332486.db2.gz WOWVBCXXONTYBI-SECBINFHSA-N -1 0 330.409 3.527 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)OCc2ccc(Cl)cc2)CC1 ZINC001606131754 973377860 /nfs/dbraw/zinc/37/78/60/973377860.db2.gz IOMJMSBJDYDUEG-UHFFFAOYSA-N -1 0 325.792 3.553 20 0 EHADRM Cc1nc2ccc(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc2s1 ZINC001605416370 973423966 /nfs/dbraw/zinc/42/39/66/973423966.db2.gz LSNPSSRZUTVQJC-CYBMUJFWSA-N -1 0 334.441 3.614 20 0 EHADRM CC[C@](C)(NC(=O)NCc1ccccc1C(=O)[O-])c1ccc(F)cc1 ZINC001603508761 973496606 /nfs/dbraw/zinc/49/66/06/973496606.db2.gz WPTKSVWVCSMVIT-IBGZPJMESA-N -1 0 344.386 3.649 20 0 EHADRM CC[C@H](CNC(=O)N1CCC[C@H](C)[C@H]1c1ccc(C)cc1)C(=O)[O-] ZINC001603555679 973634155 /nfs/dbraw/zinc/63/41/55/973634155.db2.gz FGISOJZTKCDUFQ-UXLLHSPISA-N -1 0 332.444 3.588 20 0 EHADRM CC[C@H](CNC(=O)N1CCC[C@H](C)[C@@H]1c1ccc(C)cc1)C(=O)[O-] ZINC001603555680 973634624 /nfs/dbraw/zinc/63/46/24/973634624.db2.gz FGISOJZTKCDUFQ-ZMSDIMECSA-N -1 0 332.444 3.588 20 0 EHADRM COCc1cc(Nc2ccc(C(=O)[O-])c(C)c2)nc(C(C)(C)C)n1 ZINC001604640750 973771639 /nfs/dbraw/zinc/77/16/39/973771639.db2.gz JQSOOBMJNBBBPF-UHFFFAOYSA-N -1 0 329.400 3.671 20 0 EHADRM O=C([O-])[C@H]1C[C@H](Nc2nc(Cl)c(C(F)(F)F)cc2Cl)C1 ZINC001606458571 973901184 /nfs/dbraw/zinc/90/11/84/973901184.db2.gz GAIJKBFJRQVJJZ-URHBZAFASA-N -1 0 329.105 3.682 20 0 EHADRM O=C([O-])[C@H](CNC(=O)Nc1ccccc1SC(F)F)CC1CC1 ZINC000405681466 973902431 /nfs/dbraw/zinc/90/24/31/973902431.db2.gz MHNAYEHVXKGYSO-JTQLQIEISA-N -1 0 344.383 3.624 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)C2(c3cccc(F)c3)CC2)cc1 ZINC000414443602 973938772 /nfs/dbraw/zinc/93/87/72/973938772.db2.gz DCFSQJPPWJDFMV-GFCCVEGCSA-N -1 0 327.355 3.684 20 0 EHADRM O=C([O-])CCCCCNC(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000414606131 973941057 /nfs/dbraw/zinc/94/10/57/973941057.db2.gz DDIQFECQYZAKQU-IAGOWNOFSA-N -1 0 332.444 3.657 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)C[C@@H]2CCOc3ccccc32)c1 ZINC000414459476 973941447 /nfs/dbraw/zinc/94/14/47/973941447.db2.gz XINSMXLCSLOOOV-HIFRSBDPSA-N -1 0 339.391 3.770 20 0 EHADRM COc1cc(NC(=O)N[C@H](C(=O)[O-])c2cccc(C)c2)ccc1Cl ZINC001604732643 973941837 /nfs/dbraw/zinc/94/18/37/973941837.db2.gz JAAVKQDGLWTOIE-HNNXBMFYSA-N -1 0 348.786 3.604 20 0 EHADRM O=C([O-])c1coc(CNCc2cc(Cl)ccc2OCC2CC2)c1 ZINC000417543298 973959945 /nfs/dbraw/zinc/95/99/45/973959945.db2.gz FTSPJXYQTCKAII-UHFFFAOYSA-N -1 0 335.787 3.710 20 0 EHADRM CCC[C@@H]1CCC[C@H]1C(=O)Nc1sc2c(c1C(=O)[O-])COCC2 ZINC001603635312 973968123 /nfs/dbraw/zinc/96/81/23/973968123.db2.gz AUSGVNMKOPJEIV-GHMZBOCLSA-N -1 0 337.441 3.674 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000422559093 973994924 /nfs/dbraw/zinc/99/49/24/973994924.db2.gz QNGGOGKXLIEJEO-ZNMIVQPWSA-N -1 0 333.453 3.769 20 0 EHADRM O=C([O-])c1cccc(CSc2nncn2CCc2cccs2)c1 ZINC001606518373 974016668 /nfs/dbraw/zinc/01/66/68/974016668.db2.gz WHDWWPOFGDDEKW-UHFFFAOYSA-N -1 0 345.449 3.573 20 0 EHADRM CCCCc1ccc(C(=O)Nc2nc3ccccn3c2C(=O)[O-])cc1 ZINC001603653470 974021084 /nfs/dbraw/zinc/02/10/84/974021084.db2.gz XWFLFRKQBYQUBL-UHFFFAOYSA-N -1 0 337.379 3.627 20 0 EHADRM COc1cc(Cl)c(Cl)cc1NC(=O)NCCC(C)(C)C(=O)[O-] ZINC000424385915 974024691 /nfs/dbraw/zinc/02/46/91/974024691.db2.gz GWEKTRREGRBYHW-UHFFFAOYSA-N -1 0 349.214 3.624 20 0 EHADRM CCCN(C(=O)NCCC(C)(C)C(=O)[O-])[C@H]1CCc2ccccc21 ZINC000424398547 974028727 /nfs/dbraw/zinc/02/87/27/974028727.db2.gz OHESLIAQURLIAG-INIZCTEOSA-N -1 0 332.444 3.596 20 0 EHADRM CC(C)C[C@@H](NC(=O)NCCC(C)(C)C(=O)[O-])c1cccs1 ZINC000424400297 974028743 /nfs/dbraw/zinc/02/87/43/974028743.db2.gz ZGQSFGZDGBOGHS-GFCCVEGCSA-N -1 0 326.462 3.635 20 0 EHADRM CC(C)C[C@H](NC(=O)NCCC(C)(C)C(=O)[O-])c1cccs1 ZINC000424400298 974028858 /nfs/dbraw/zinc/02/88/58/974028858.db2.gz ZGQSFGZDGBOGHS-LBPRGKRZSA-N -1 0 326.462 3.635 20 0 EHADRM Cc1ccc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)cc1Br ZINC000426706833 974044645 /nfs/dbraw/zinc/04/46/45/974044645.db2.gz XKCCCGROAOIBJN-UHFFFAOYSA-N -1 0 334.213 3.746 20 0 EHADRM O=C([O-])[C@H](NCc1csc(-c2cccs2)n1)c1cccs1 ZINC000426821679 974049581 /nfs/dbraw/zinc/04/95/81/974049581.db2.gz VXUJCGZELIUNPT-GFCCVEGCSA-N -1 0 336.463 3.849 20 0 EHADRM COc1ccc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)c2cccnc12 ZINC001604820695 974056140 /nfs/dbraw/zinc/05/61/40/974056140.db2.gz NFIWRAVYGCEYFX-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2cc3c(ccc4ccccc34)[nH]2)cc1 ZINC000431215135 974061792 /nfs/dbraw/zinc/06/17/92/974061792.db2.gz AMWHPFKHOQUJGN-UHFFFAOYSA-N -1 0 344.370 3.949 20 0 EHADRM COc1ccc(OC(=O)c2ccc(C(=O)[O-])cc2)cc1C(F)(F)F ZINC001604821278 974062762 /nfs/dbraw/zinc/06/27/62/974062762.db2.gz VSNHHNLGCPBHJA-UHFFFAOYSA-N -1 0 340.253 3.631 20 0 EHADRM CC[C@H](C)[C@H](C)C(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000431460273 974065607 /nfs/dbraw/zinc/06/56/07/974065607.db2.gz VFLONKLEFSVTBY-RYUDHWBXSA-N -1 0 345.361 3.801 20 0 EHADRM Cc1cc(C)cc(CCC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000431688535 974073678 /nfs/dbraw/zinc/07/36/78/974073678.db2.gz VBEHMLQWQMGTNU-OXQOHEQNSA-N -1 0 339.435 3.814 20 0 EHADRM CCC(CC)(CNC(=O)c1cc2c(ccc3ccccc23)[nH]1)C(=O)[O-] ZINC000431795552 974074883 /nfs/dbraw/zinc/07/48/83/974074883.db2.gz PQPSHRSJAMUTJF-UHFFFAOYSA-N -1 0 338.407 3.942 20 0 EHADRM C[C@@]1(NC(=O)CSc2ccc(Cl)cc2)CCCC[C@@H]1C(=O)[O-] ZINC000431887204 974078714 /nfs/dbraw/zinc/07/87/14/974078714.db2.gz KVFXKHJTQPDVMF-CZUORRHYSA-N -1 0 341.860 3.582 20 0 EHADRM Cc1cc(C(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])c(Cl)cc1F ZINC000432100718 974086754 /nfs/dbraw/zinc/08/67/54/974086754.db2.gz VODUYUKNJNJWJK-ZBEGNZNMSA-N -1 0 327.783 3.551 20 0 EHADRM CCCc1nc(C)c(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)s1 ZINC001603692688 974088688 /nfs/dbraw/zinc/08/86/88/974088688.db2.gz IPQBQFLXRBBIIC-LBPRGKRZSA-N -1 0 341.477 3.663 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N2CCC[C@H]2/C=C/c2ccccc2)c1 ZINC000432128578 974090161 /nfs/dbraw/zinc/09/01/61/974090161.db2.gz GNHLBNCGPHNWAZ-CVTTXWKISA-N -1 0 335.403 3.632 20 0 EHADRM CCCCS[C@H](C)C(=O)N[C@@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC000448993724 974133145 /nfs/dbraw/zinc/13/31/45/974133145.db2.gz NMIAKDZLBDTVQD-PXAZEXFGSA-N -1 0 341.448 3.554 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)c1c[nH]cc1-c1ccccc1 ZINC000448999689 974137952 /nfs/dbraw/zinc/13/79/52/974137952.db2.gz ISFIIOQDGODAMM-SFHVURJKSA-N -1 0 340.423 3.835 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000450522577 974147206 /nfs/dbraw/zinc/14/72/06/974147206.db2.gz YGZVIWGZORPOTG-LIRRHRJNSA-N -1 0 328.412 3.548 20 0 EHADRM CCC[C@@H](C)CC(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000455919981 974169144 /nfs/dbraw/zinc/16/91/44/974169144.db2.gz HQLJVRBGWNGPDL-QMTHXVAHSA-N -1 0 331.334 3.931 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)c1 ZINC000467943435 974193281 /nfs/dbraw/zinc/19/32/81/974193281.db2.gz OPLIYGCKAWBHAM-SIKLNZKXSA-N -1 0 349.430 3.937 20 0 EHADRM CCN(Cc1ccccc1Cl)C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001603749726 974194033 /nfs/dbraw/zinc/19/40/33/974194033.db2.gz UZDDTCMDUMQJCV-BQYQJAHWSA-N -1 0 333.771 3.693 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000470973843 974194680 /nfs/dbraw/zinc/19/46/80/974194680.db2.gz GMYZPMJJLIUDRK-AWEZNQCLSA-N -1 0 345.826 3.632 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cccc(OC(F)F)c1 ZINC000471984627 974197799 /nfs/dbraw/zinc/19/77/99/974197799.db2.gz OMYXSBCXYDYYOZ-UHFFFAOYSA-N -1 0 335.306 3.855 20 0 EHADRM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000478855802 974213381 /nfs/dbraw/zinc/21/33/81/974213381.db2.gz MSYKYXCYFWVTJA-BTDLBPIBSA-N -1 0 345.345 3.716 20 0 EHADRM CCCCOc1cccc(NC(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000478864735 974214112 /nfs/dbraw/zinc/21/41/12/974214112.db2.gz ZXBLHXOPTMNQPM-UHFFFAOYSA-N -1 0 331.343 3.955 20 0 EHADRM CC(C)(c1ccccc1)C1(NC(=O)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000519425936 974329509 /nfs/dbraw/zinc/32/95/09/974329509.db2.gz CHJDKSNGTZIDFV-UHFFFAOYSA-N -1 0 337.419 3.554 20 0 EHADRM Cc1oc(CN2C[C@@H](c3cccc(Cl)c3)OC[C@H]2C)cc1C(=O)[O-] ZINC000519713820 974333355 /nfs/dbraw/zinc/33/33/55/974333355.db2.gz YWTZCLVQOPUFDE-DIFFPNOSSA-N -1 0 349.814 3.902 20 0 EHADRM C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1Cc1ccc(C(=O)[O-])o1 ZINC000521633989 974345775 /nfs/dbraw/zinc/34/57/75/974345775.db2.gz HJTOIRCZAWQWKS-BZNIZROVSA-N -1 0 335.787 3.593 20 0 EHADRM CC(C)c1ncc2c(n1)CCN(Cc1cccc(C(=O)[O-])c1Cl)C2 ZINC000527617891 974352810 /nfs/dbraw/zinc/35/28/10/974352810.db2.gz SUWKPOBATGAVGH-UHFFFAOYSA-N -1 0 345.830 3.510 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(Cc1cnc(C(=O)[O-])cn1)C1CC1 ZINC000530162077 974358396 /nfs/dbraw/zinc/35/83/96/974358396.db2.gz MPIGMYFXUOSSGW-LLVKDONJSA-N -1 0 331.803 3.554 20 0 EHADRM CCOc1ccc(C[C@H](C)C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001603861158 974364302 /nfs/dbraw/zinc/36/43/02/974364302.db2.gz PBBMKKDOZLHAEG-WMLDXEAASA-N -1 0 349.471 3.660 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)Cc1coc2ccc3ccccc3c12 ZINC000531748959 974369789 /nfs/dbraw/zinc/36/97/89/974369789.db2.gz SQHKULUNHJDFAJ-UHFFFAOYSA-N -1 0 339.391 3.698 20 0 EHADRM Cc1cc(NC(=O)c2ccc(N3CCCCC3)cc2)ccc1C(=O)[O-] ZINC000536409296 974379929 /nfs/dbraw/zinc/37/99/29/974379929.db2.gz FZNCQWCMQNJJOB-UHFFFAOYSA-N -1 0 338.407 3.936 20 0 EHADRM CC(C)Cc1ccc(CC(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000538504907 974390011 /nfs/dbraw/zinc/39/00/11/974390011.db2.gz WIVRTACHMQRTIV-UHFFFAOYSA-N -1 0 329.371 3.904 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCC2(c3ccccc3)CCCCC2)o1 ZINC000539675919 974398443 /nfs/dbraw/zinc/39/84/43/974398443.db2.gz VGLHFAJWBBONPS-UHFFFAOYSA-N -1 0 327.380 3.610 20 0 EHADRM CSc1ccsc1C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000539678405 974399744 /nfs/dbraw/zinc/39/97/44/974399744.db2.gz UXTRCWCPQHTAFK-UHFFFAOYSA-N -1 0 327.471 3.625 20 0 EHADRM CN(Cc1cccc2ccccc21)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000540774696 974407612 /nfs/dbraw/zinc/40/76/12/974407612.db2.gz RNILHIVBNUXQJJ-UHFFFAOYSA-N -1 0 333.387 3.739 20 0 EHADRM C[C@H](C(=O)N1CCC(CCC(=O)[O-])CC1)c1cc2ccccc2o1 ZINC000540783728 974409456 /nfs/dbraw/zinc/40/94/56/974409456.db2.gz BJUMWFQQARBTBK-ZDUSSCGKSA-N -1 0 329.396 3.640 20 0 EHADRM CC[C@H](NC(=O)Nc1cncc(C(=O)[O-])c1)c1ccc(C)c(F)c1 ZINC001603951574 974429387 /nfs/dbraw/zinc/42/93/87/974429387.db2.gz HPPYPLVSXMHEMM-HNNXBMFYSA-N -1 0 331.347 3.500 20 0 EHADRM CC(C)(CNC(=O)c1ccc(C(=O)[O-])s1)c1ccc(Cl)cc1 ZINC000556199171 974487251 /nfs/dbraw/zinc/48/72/51/974487251.db2.gz ZNTHJPVYAOTHNG-UHFFFAOYSA-N -1 0 337.828 3.807 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2c3c(nc4ccccc42)CCC3)c1 ZINC000561905980 974502924 /nfs/dbraw/zinc/50/29/24/974502924.db2.gz JJDFGVYOHCGYKV-UHFFFAOYSA-N -1 0 332.359 3.674 20 0 EHADRM Cc1ccc2c(C)cc(N3CC[C@@](C(=O)[O-])(C(F)(F)F)C3)nc2c1 ZINC000563213865 974521790 /nfs/dbraw/zinc/52/17/90/974521790.db2.gz MYHAAFSXYJOTBN-MRXNPFEDSA-N -1 0 338.329 3.695 20 0 EHADRM Cc1ccc(C[C@H]2CCC[N@H+](Cc3nc(C(=O)[O-])cs3)C2)cc1 ZINC000563278731 974524243 /nfs/dbraw/zinc/52/42/43/974524243.db2.gz MCXCDOPMSXOXLO-OAHLLOKOSA-N -1 0 330.453 3.604 20 0 EHADRM C[N@H+](Cc1ccoc1C(=O)[O-])Cc1ccc(OC(F)(F)F)cc1 ZINC000565102335 974568749 /nfs/dbraw/zinc/56/87/49/974568749.db2.gz DYQVSJBMPAIAPD-UHFFFAOYSA-N -1 0 329.274 3.508 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N2CCC[C@@H](c3ccccc3)C2)cc1 ZINC000568285624 974666361 /nfs/dbraw/zinc/66/63/61/974666361.db2.gz CMLGVKWLUKNURE-LJQANCHMSA-N -1 0 337.419 3.724 20 0 EHADRM Cc1sc([C@H]2CCCN2c2nccc(C(C)(C)C)n2)nc1C(=O)[O-] ZINC000568986843 974681749 /nfs/dbraw/zinc/68/17/49/974681749.db2.gz GTLSWNRTOWSFDP-LLVKDONJSA-N -1 0 346.456 3.579 20 0 EHADRM Cc1cc([C@H](NC(=O)Cc2ccccc2C(=O)[O-])C2CC2)ccc1F ZINC000569260510 974688059 /nfs/dbraw/zinc/68/80/59/974688059.db2.gz SBVRJIWFWPGFLP-LJQANCHMSA-N -1 0 341.382 3.642 20 0 EHADRM C[C@]1(c2ccccc2)CN(Cc2cccc(C(=O)[O-])c2Cl)CCO1 ZINC000570456776 974711975 /nfs/dbraw/zinc/71/19/75/974711975.db2.gz LSDZLLNYHRSDSU-LJQANCHMSA-N -1 0 345.826 3.786 20 0 EHADRM Cc1cc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)sc1-c1ccccc1 ZINC000571895019 974738459 /nfs/dbraw/zinc/73/84/59/974738459.db2.gz OVEXRRILHDSFSR-GXTWGEPZSA-N -1 0 329.421 3.659 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)C2(C(F)(F)F)CCCCC2)c1 ZINC000572016715 974739681 /nfs/dbraw/zinc/73/96/81/974739681.db2.gz JWFQGXWCBKRBMO-UHFFFAOYSA-N -1 0 329.318 3.765 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1Cc1csc(C2CC2)n1 ZINC000576768868 974821561 /nfs/dbraw/zinc/82/15/61/974821561.db2.gz AQPBHLLGKWKJKS-HOTGVXAUSA-N -1 0 328.437 3.811 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)CC/C=C\c2ccccc2)C[C@H]1c1ccccc1 ZINC000578193073 974849433 /nfs/dbraw/zinc/84/94/33/974849433.db2.gz MMNDCWYOYFEOQF-LFXJARLDSA-N -1 0 349.430 3.807 20 0 EHADRM O=C([O-])[C@H](CNC(=O)C1(c2cccs2)CCCCC1)CC1CC1 ZINC000579364025 974873714 /nfs/dbraw/zinc/87/37/14/974873714.db2.gz PSQROWSLUQZYCB-AWEZNQCLSA-N -1 0 335.469 3.567 20 0 EHADRM O=C([O-])[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)CC1CC1 ZINC000579722075 974882241 /nfs/dbraw/zinc/88/22/41/974882241.db2.gz DXKQNLDHUNHGHD-OTWHNJEPSA-N -1 0 337.419 3.560 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N(C)[C@H](C)c2ccc(F)cc2)cc1C ZINC000107963670 1014220852 /nfs/dbraw/zinc/22/08/52/1014220852.db2.gz DDRACFIULKDDEM-OYLFLEFRSA-N -1 0 347.455 3.770 20 0 EHADRM Cc1ccc(C[C@@H]2CCCN(C(=O)c3ccc(C(=O)[O-])cc3)C2)cc1 ZINC000581223532 974907330 /nfs/dbraw/zinc/90/73/30/974907330.db2.gz NOXQXDXBLTWDKH-KRWDZBQOSA-N -1 0 337.419 3.788 20 0 EHADRM Cc1csc(CN(CC(=O)[O-])Cc2ccc(C(F)(F)F)cc2)n1 ZINC000582186502 974922085 /nfs/dbraw/zinc/92/20/85/974922085.db2.gz FDYRQDLQPLDLMX-UHFFFAOYSA-N -1 0 344.358 3.557 20 0 EHADRM Cc1ccc(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c(Sc2ccccc2)c1 ZINC000583511753 974942213 /nfs/dbraw/zinc/94/22/13/974942213.db2.gz WKAPRQIFSIHYIM-HDJSIYSDSA-N -1 0 341.432 3.739 20 0 EHADRM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)C[C@@H](C)CC(=O)[O-] ZINC000583823500 974946325 /nfs/dbraw/zinc/94/63/25/974946325.db2.gz ZJLCSUGJQBIQOM-ZYHUDNBSSA-N -1 0 326.462 3.595 20 0 EHADRM CCCC[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)cc1)C(C)C ZINC000621533145 975027226 /nfs/dbraw/zinc/02/72/26/975027226.db2.gz XSFSSYSZRWQBNR-SJORKVTESA-N -1 0 335.444 3.790 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)c(OC(F)F)c1 ZINC000621565395 975032347 /nfs/dbraw/zinc/03/23/47/975032347.db2.gz RWKYMCOKYSMJJL-JFGNBEQYSA-N -1 0 337.322 3.527 20 0 EHADRM C[C@@H](CC(=O)N1CCc2c(cccc2C(=O)[O-])C1)c1cccc(F)c1 ZINC000621579393 975040104 /nfs/dbraw/zinc/04/01/04/975040104.db2.gz HLFFJIVDNFGCMB-ZDUSSCGKSA-N -1 0 341.382 3.602 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)C1CCC2(CC2)CC1 ZINC000621588932 975046736 /nfs/dbraw/zinc/04/67/36/975046736.db2.gz JTYRKDRCZQLLHB-IRXDYDNUSA-N -1 0 327.424 3.774 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000626760226 975069755 /nfs/dbraw/zinc/06/97/55/975069755.db2.gz DHJJBALYAZNLFB-IACUBPJLSA-N -1 0 344.411 3.554 20 0 EHADRM O=C([O-])c1cnc(C2CCN(Cc3ccc(Cl)s3)CC2)s1 ZINC000629368139 975086087 /nfs/dbraw/zinc/08/60/87/975086087.db2.gz UFNKMVUSGWFKFN-UHFFFAOYSA-N -1 0 342.873 3.936 20 0 EHADRM Cc1ccc2oc(N3CCC(c4ncc(C(=O)[O-])s4)CC3)nc2c1 ZINC000629384041 975092862 /nfs/dbraw/zinc/09/28/62/975092862.db2.gz NDGFISSBIMQZDY-UHFFFAOYSA-N -1 0 343.408 3.675 20 0 EHADRM Cc1cc(C(=O)NCC(C)(C)c2cccc(Cl)c2)oc1C(=O)[O-] ZINC000630114119 975107032 /nfs/dbraw/zinc/10/70/32/975107032.db2.gz YRLIGXCQZDLVCC-UHFFFAOYSA-N -1 0 335.787 3.647 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1ccnc(C2CC2)c1 ZINC000630126680 975113053 /nfs/dbraw/zinc/11/30/53/975113053.db2.gz IUEBBLLXSBRYGM-UHFFFAOYSA-N -1 0 340.379 3.697 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccsc1)c1ccccc1 ZINC000630128260 975114143 /nfs/dbraw/zinc/11/41/43/975114143.db2.gz ZGFFPIGNWBBARA-XHSDSOJGSA-N -1 0 329.421 3.574 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)CCCCC1 ZINC000630130072 975114869 /nfs/dbraw/zinc/11/48/69/975114869.db2.gz IIJFTNOSOXFMNU-IAGOWNOFSA-N -1 0 329.440 3.864 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)C1 ZINC000630156693 975134215 /nfs/dbraw/zinc/13/42/15/975134215.db2.gz IJFKGOLTOGZYDE-BBWFWOEESA-N -1 0 343.467 3.776 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC000630159056 975135711 /nfs/dbraw/zinc/13/57/11/975135711.db2.gz VUPJXWMHXHKLLY-XQQFMLRXSA-N -1 0 349.393 3.705 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1coc(C(F)F)c1 ZINC000630160906 975136222 /nfs/dbraw/zinc/13/62/22/975136222.db2.gz VITPGKBPJZHMRF-UHFFFAOYSA-N -1 0 337.322 3.724 20 0 EHADRM C[C@@]1(NC(=O)CCc2ccc(C(F)F)cc2)CCCC[C@@H]1C(=O)[O-] ZINC000630163963 975138910 /nfs/dbraw/zinc/13/89/10/975138910.db2.gz RNUHJRWSQBAFLI-RDTXWAMCSA-N -1 0 339.382 3.707 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)Cc1ccccc1C ZINC000630184357 975146246 /nfs/dbraw/zinc/14/62/46/975146246.db2.gz LSTNIQZTPAZELX-ZDUSSCGKSA-N -1 0 327.380 3.519 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NCc1ccc(-c2ccccc2)s1 ZINC000630229320 975176893 /nfs/dbraw/zinc/17/68/93/975176893.db2.gz OPDMJXUAHKBRDJ-UHFFFAOYSA-N -1 0 331.437 3.922 20 0 EHADRM CC[C@@H]1CCCC[C@H]1C(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000630242080 975187024 /nfs/dbraw/zinc/18/70/24/975187024.db2.gz PWAREAHRZCQTGF-CHWSQXEVSA-N -1 0 333.403 3.625 20 0 EHADRM C[C@@H](C(=O)NC[C@H](C(=O)[O-])C1CCCCC1)c1ccc(Cl)s1 ZINC000630265926 975209936 /nfs/dbraw/zinc/20/99/36/975209936.db2.gz SVAQVIZOXHWJHQ-PWSUYJOCSA-N -1 0 343.876 3.902 20 0 EHADRM CC1(C)[C@H](c2cccc(F)c2)CCN1C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000630274333 975219325 /nfs/dbraw/zinc/21/93/25/975219325.db2.gz MXIRCUWQFZHUJT-ZOBUZTSGSA-N -1 0 347.430 3.811 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)Cc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000630288610 975232042 /nfs/dbraw/zinc/23/20/42/975232042.db2.gz MJUVTCGWUBCEML-HNNXBMFYSA-N -1 0 325.408 3.764 20 0 EHADRM Cc1ccc([C@@H](C)N(C)C(=O)Cc2ccccc2C(=O)[O-])c(C)c1 ZINC000630290687 975233134 /nfs/dbraw/zinc/23/31/34/975233134.db2.gz YGMFZSUYDNMERX-OAHLLOKOSA-N -1 0 325.408 3.764 20 0 EHADRM O=C([O-])C12CCC(CC1)N2C(=O)C1CCC(c2ccccc2)CC1 ZINC000630324859 975253085 /nfs/dbraw/zinc/25/30/85/975253085.db2.gz NFXWURIVSIPOKJ-UHFFFAOYSA-N -1 0 327.424 3.569 20 0 EHADRM CC(C)(C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000630329419 975257423 /nfs/dbraw/zinc/25/74/23/975257423.db2.gz ZNBRGGOUUCZWQZ-DLBZAZTESA-N -1 0 341.382 3.930 20 0 EHADRM CCC(CC)(C(=O)NCc1cc(C)c(C(=O)[O-])o1)c1ccccc1 ZINC000630329688 975257711 /nfs/dbraw/zinc/25/77/11/975257711.db2.gz CRGAZBCYPHLCIV-UHFFFAOYSA-N -1 0 329.396 3.660 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c(C2CC2)n1 ZINC000630330948 975258909 /nfs/dbraw/zinc/25/89/09/975258909.db2.gz UUGMSEYBGOANHO-DLBZAZTESA-N -1 0 336.391 3.708 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)Nc1c(C)nn(CCC(=O)[O-])c1C ZINC000630332074 975260270 /nfs/dbraw/zinc/26/02/70/975260270.db2.gz CIAMVVJWVIWQHE-OAHLLOKOSA-N -1 0 335.448 3.520 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000634835629 975278311 /nfs/dbraw/zinc/27/83/11/975278311.db2.gz KJKLTOLXBQHUML-SSDOTTSWSA-N -1 0 328.340 3.673 20 0 EHADRM Cc1cccc2c(CCNC(=O)CC3(CC(=O)[O-])CCCC3)c[nH]c21 ZINC000634882554 975279999 /nfs/dbraw/zinc/27/99/99/975279999.db2.gz PXGXZAUOFFFSPM-UHFFFAOYSA-N -1 0 342.439 3.560 20 0 EHADRM CSc1cc(F)ccc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000647599739 975370200 /nfs/dbraw/zinc/37/02/00/975370200.db2.gz INUHZGOWCNGGBA-UHFFFAOYSA-N -1 0 325.405 3.911 20 0 EHADRM CSc1ccc(CCCC(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000647727632 975374845 /nfs/dbraw/zinc/37/48/45/975374845.db2.gz VPFYGZPHCBWJJH-UHFFFAOYSA-N -1 0 343.448 3.746 20 0 EHADRM O=C([O-])c1cccc2c1CN(C(=O)c1sccc1C1CC1)CC2 ZINC000649257277 975395949 /nfs/dbraw/zinc/39/59/49/975395949.db2.gz DHNFGPLPLFKARS-UHFFFAOYSA-N -1 0 327.405 3.522 20 0 EHADRM O=C([O-])c1cccc2c1CN(C(=O)C[C@@H]1CCCc3ccccc31)CC2 ZINC000649258126 975398697 /nfs/dbraw/zinc/39/86/97/975398697.db2.gz ITPBKAYNKDVCGU-KRWDZBQOSA-N -1 0 349.430 3.780 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC000649259019 975402115 /nfs/dbraw/zinc/40/21/15/975402115.db2.gz MCZQNZNSYZRZAR-UHFFFAOYSA-N -1 0 327.380 3.608 20 0 EHADRM O=C([O-])c1cnc(N2CCS[C@H](c3ccccc3)C2)c(Cl)c1 ZINC000650775975 975452244 /nfs/dbraw/zinc/45/22/44/975452244.db2.gz JEQQGNPXTXJYCT-AWEZNQCLSA-N -1 0 334.828 3.728 20 0 EHADRM O=C([O-])C1CCC(NC(=O)C2(c3ccccc3Cl)CCC2)CC1 ZINC000652058698 975461873 /nfs/dbraw/zinc/46/18/73/975461873.db2.gz BNUKWVFQMVWHEN-UHFFFAOYSA-N -1 0 335.831 3.521 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)[C@@H]2C[C@@H]2C2CCCC2)cc1 ZINC000652062367 975463107 /nfs/dbraw/zinc/46/31/07/975463107.db2.gz HLDYEAMFBRVVNV-IAGOWNOFSA-N -1 0 331.412 3.695 20 0 EHADRM CC(C)OC(=O)CS[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001591681973 975472580 /nfs/dbraw/zinc/47/25/80/975472580.db2.gz CTVHMFUTBYMXGW-GFCCVEGCSA-N -1 0 336.331 3.516 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CN1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000652429849 975530683 /nfs/dbraw/zinc/53/06/83/975530683.db2.gz XLRNLIYWQTXWSS-INIZCTEOSA-N -1 0 335.787 3.513 20 0 EHADRM CC(C)O[C@H]1C[C@H](Nc2cc(C(F)(F)F)c(C(=O)[O-])cn2)C1(C)C ZINC001591696263 975532450 /nfs/dbraw/zinc/53/24/50/975532450.db2.gz QIKVZKPAKSPFAQ-RYUDHWBXSA-N -1 0 346.349 3.803 20 0 EHADRM COc1ccc2c(c1)[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1F)CCC2 ZINC000655539502 975622976 /nfs/dbraw/zinc/62/29/76/975622976.db2.gz PCYHJGZUNUMZGS-CQSZACIVSA-N -1 0 343.354 3.591 20 0 EHADRM Cc1ccccc1CN(Cc1ccccn1)C(=O)CCCCC(=O)[O-] ZINC000655542261 975624662 /nfs/dbraw/zinc/62/46/62/975624662.db2.gz YNAOAYCBXMXLSD-UHFFFAOYSA-N -1 0 340.423 3.564 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000655550152 975625798 /nfs/dbraw/zinc/62/57/98/975625798.db2.gz LQRBNWYVMZVTFM-HXUWFJFHSA-N -1 0 329.440 3.528 20 0 EHADRM CCN(C(=O)c1cc(C(=O)[O-])oc1C)[C@@H](C)c1cccc(OC)c1 ZINC000659121107 975718782 /nfs/dbraw/zinc/71/87/82/975718782.db2.gz VHTBICMMCQYOQE-NSHDSACASA-N -1 0 331.368 3.518 20 0 EHADRM CC(C)OCc1cccc(NC(=O)NCc2ccc(C(=O)[O-])s2)c1 ZINC001591734798 975720212 /nfs/dbraw/zinc/72/02/12/975720212.db2.gz LLTYTDODZJPEEM-UHFFFAOYSA-N -1 0 348.424 3.693 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000659129268 975727974 /nfs/dbraw/zinc/72/79/74/975727974.db2.gz KDDYELLMZJCVPT-WQANXHIZSA-N -1 0 337.419 3.677 20 0 EHADRM CC(C)C[C@H](C(=O)N(C)C[C@@H](C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000659131055 975730611 /nfs/dbraw/zinc/73/06/11/975730611.db2.gz OAWIZYMTSLERPG-DOMZBBRYSA-N -1 0 325.836 3.649 20 0 EHADRM CC1(C)C[C@]1(C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000659144839 975744725 /nfs/dbraw/zinc/74/47/25/975744725.db2.gz ZTPGDIXJBQPTQN-PGRDOPGGSA-N -1 0 349.430 3.565 20 0 EHADRM CC(C)Oc1c(NC(=O)N2CC(C)(C)C[C@H]2C)cccc1C(=O)[O-] ZINC001591741168 975749369 /nfs/dbraw/zinc/74/93/69/975749369.db2.gz CHGBXOZGPCAWSS-GFCCVEGCSA-N -1 0 334.416 3.824 20 0 EHADRM C[C@H](NC(=O)C1CCC(C2CC2)CC1)c1ccc(OCC(=O)[O-])cc1 ZINC000659157976 975756179 /nfs/dbraw/zinc/75/61/79/975756179.db2.gz UEQZTQTZOHIELX-IGEOTXOUSA-N -1 0 345.439 3.544 20 0 EHADRM CC1(C)CC[C@H]1C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000659159948 975759567 /nfs/dbraw/zinc/75/95/67/975759567.db2.gz DYVRCKCZXLMNAD-RYUDHWBXSA-N -1 0 329.318 3.541 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC000659168700 975766993 /nfs/dbraw/zinc/76/69/93/975766993.db2.gz QQMZDMLBMSFRPI-MCIONIFRSA-N -1 0 349.393 3.705 20 0 EHADRM C[C@@H](C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21)c1ccsc1 ZINC000659182460 975777471 /nfs/dbraw/zinc/77/74/71/975777471.db2.gz NXIQJSPDVWLZAH-DOMZBBRYSA-N -1 0 343.448 3.786 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCCc2ccc(F)cc2)[C@H]2CCCC[C@H]12 ZINC000659189960 975785815 /nfs/dbraw/zinc/78/58/15/975785815.db2.gz ILMLJXHLFHZEEZ-KURKYZTESA-N -1 0 347.430 3.640 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000659192798 975791825 /nfs/dbraw/zinc/79/18/25/975791825.db2.gz OEOQDYNVMNXNAH-PMPSAXMXSA-N -1 0 335.831 3.754 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cccc(C3CC3)c2)[C@@H]2CCCC[C@@H]12 ZINC000659195729 975799725 /nfs/dbraw/zinc/79/97/25/975799725.db2.gz YTAWHIVUMZLAOE-RCCFBDPRSA-N -1 0 327.424 3.670 20 0 EHADRM C[C@H](C(=O)NC[C@H](CC(=O)[O-])C1CC1)c1c(Cl)cccc1Cl ZINC000659208171 975817913 /nfs/dbraw/zinc/81/79/13/975817913.db2.gz FOFKTXOEOTZUIH-ONGXEEELSA-N -1 0 344.238 3.714 20 0 EHADRM C[C@@H](CC(=O)N[C@](C)(CCF)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000659217054 975827200 /nfs/dbraw/zinc/82/72/00/975827200.db2.gz WWVGPCSNWFJQQD-ZUZCIYMTSA-N -1 0 349.324 3.518 20 0 EHADRM CCCN(Cc1ccccc1F)C(=O)c1cccc(CC(=O)[O-])c1 ZINC000659216029 975827224 /nfs/dbraw/zinc/82/72/24/975827224.db2.gz SMCVVQCQIQRBEE-UHFFFAOYSA-N -1 0 329.371 3.505 20 0 EHADRM Cc1cc(C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)c(C)n1C1CCCCC1 ZINC000659229659 975839611 /nfs/dbraw/zinc/83/96/11/975839611.db2.gz XSGPVGWZFIWAGA-FZNQNYSPSA-N -1 0 332.444 3.545 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001591766908 975872195 /nfs/dbraw/zinc/87/21/95/975872195.db2.gz ADNZPAWFXUALLU-NFAWXSAZSA-N -1 0 346.427 3.730 20 0 EHADRM CC(C)Oc1ccc(Cl)cc1C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC001591777952 975933470 /nfs/dbraw/zinc/93/34/70/975933470.db2.gz DGZSCYRHIDYFAY-UHFFFAOYSA-N -1 0 348.782 3.974 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@H]2CCCCCC(=O)C2)c(C(=O)[O-])c1 ZINC001591781014 975949572 /nfs/dbraw/zinc/94/95/72/975949572.db2.gz QBRISHXBPYGKIX-ZDUSSCGKSA-N -1 0 347.411 3.650 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000666361662 975960320 /nfs/dbraw/zinc/96/03/20/975960320.db2.gz NENMFSSBVUEGCH-ZIAGYGMSSA-N -1 0 349.477 3.951 20 0 EHADRM CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000668316358 975994754 /nfs/dbraw/zinc/99/47/54/975994754.db2.gz FNJQWXOJOQIHNY-MTNOOBJLSA-N -1 0 343.467 3.953 20 0 EHADRM Cc1ccc([C@@H]2CCN(C(=O)Cc3ccccc3C(=O)[O-])C2)c(C)c1 ZINC000668322478 975998001 /nfs/dbraw/zinc/99/80/01/975998001.db2.gz WUQDVVFXLCCNAC-QGZVFWFLSA-N -1 0 337.419 3.560 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)C[C@H]2CCC[C@H](C)C2)cc1 ZINC000675947888 976019062 /nfs/dbraw/zinc/01/90/62/976019062.db2.gz KRMLJFIBWBTQNM-ZQIUZPCESA-N -1 0 333.428 3.544 20 0 EHADRM COc1cccc2cc(C(=O)N[C@H]3CCCCCC[C@H]3C(=O)[O-])oc21 ZINC000678989610 976036361 /nfs/dbraw/zinc/03/63/61/976036361.db2.gz FDNYRNZAXJGYOV-KGLIPLIRSA-N -1 0 345.395 3.595 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000679102081 976043594 /nfs/dbraw/zinc/04/35/94/976043594.db2.gz UJDFOIVEYKTBMA-GJZGRUSLSA-N -1 0 347.455 3.538 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000679105146 976046917 /nfs/dbraw/zinc/04/69/17/976046917.db2.gz KTNPFYBJZWLWBM-NVXWUHKLSA-N -1 0 347.455 3.502 20 0 EHADRM CCCC[C@@H](NC(=O)c1ccccc1SCc1ccco1)C(=O)[O-] ZINC000680363284 976054342 /nfs/dbraw/zinc/05/43/42/976054342.db2.gz XEIAYXUOHNIYBU-OAHLLOKOSA-N -1 0 347.436 3.945 20 0 EHADRM CC(C)Sc1c(Cl)cccc1NC(=O)c1cc(C(=O)[O-])on1 ZINC001591828352 976085362 /nfs/dbraw/zinc/08/53/62/976085362.db2.gz MLSPAPFVPLVULE-UHFFFAOYSA-N -1 0 340.788 3.779 20 0 EHADRM Cc1cc(Cl)c(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1C ZINC000683323491 976085735 /nfs/dbraw/zinc/08/57/35/976085735.db2.gz BEDKKXHHDILSPR-ZDUSSCGKSA-N -1 0 337.847 3.920 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c(C)s1 ZINC000683335037 976090287 /nfs/dbraw/zinc/09/02/87/976090287.db2.gz MHGCTJNEBIZONV-HNNXBMFYSA-N -1 0 331.437 3.571 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2ccc(C3CCC3)cc2)C1 ZINC000685019811 976092953 /nfs/dbraw/zinc/09/29/53/976092953.db2.gz YNPSCTSBMXWFNM-KRWDZBQOSA-N -1 0 329.440 3.917 20 0 EHADRM Cc1ccc(C[C@@H](C)C(=O)N(CCC(=O)[O-])Cc2ccccc2)cc1 ZINC000685019677 976093122 /nfs/dbraw/zinc/09/31/22/976093122.db2.gz WUFPEBKAEBOPHB-QGZVFWFLSA-N -1 0 339.435 3.677 20 0 EHADRM CC(C)[C@H](NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)C(F)(F)F ZINC001591885725 976250892 /nfs/dbraw/zinc/25/08/92/976250892.db2.gz OHFYNPKQFIQJQV-LBPRGKRZSA-N -1 0 346.349 3.757 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)N2C[C@H](C(=O)[O-])Cc3ccccc32)CC1 ZINC001591907800 976314787 /nfs/dbraw/zinc/31/47/87/976314787.db2.gz ZVDBAPGUCYGRTQ-BFYDXBDKSA-N -1 0 329.440 3.739 20 0 EHADRM COc1cc(-c2csc(CCC(=O)[O-])c2)cnc1C(F)(F)F ZINC000579734273 1014328772 /nfs/dbraw/zinc/32/87/72/1014328772.db2.gz VZOKLBCTIWDDHZ-UHFFFAOYSA-N -1 0 331.315 3.855 20 0 EHADRM CC(C)c1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(Cl)cc2)nc1 ZINC001591947086 976488005 /nfs/dbraw/zinc/48/80/05/976488005.db2.gz FPSFMSKQSDHGPP-HNNXBMFYSA-N -1 0 333.771 3.841 20 0 EHADRM CC(C)c1ccc(C2(C(=O)N[C@H]3CC[C@H]3C(=O)[O-])CCCC2)cc1 ZINC001591948977 976503345 /nfs/dbraw/zinc/50/33/45/976503345.db2.gz NSUKQEASMMKJTG-SJORKVTESA-N -1 0 329.440 3.601 20 0 EHADRM CC(C)c1ccc(C2(C(=O)N3CC[C@@H](C(=O)[O-])[C@@H](C)C3)CCC2)cc1 ZINC001591949315 976505589 /nfs/dbraw/zinc/50/55/89/976505589.db2.gz UMHLEWMQMIEBJU-MAUKXSAKSA-N -1 0 343.467 3.801 20 0 EHADRM CC(C)c1ccc(CN[C@H](C(=O)[O-])c2ccnn2C)c(C(C)C)c1 ZINC001591957083 976527305 /nfs/dbraw/zinc/52/73/05/976527305.db2.gz BEYILWZHXVMSIV-SFHVURJKSA-N -1 0 329.444 3.582 20 0 EHADRM CC(C)c1cccc(C(=O)N2CCOc3cc(C(=O)[O-])ccc3C2)c1 ZINC001591982709 976600320 /nfs/dbraw/zinc/60/03/20/976600320.db2.gz BLDSPVRLXGIVKD-UHFFFAOYSA-N -1 0 339.391 3.543 20 0 EHADRM CC(C)c1cccc(C(=O)O[C@H](C(=O)[O-])c2ccc(Cl)cc2)n1 ZINC001591986333 976606618 /nfs/dbraw/zinc/60/66/18/976606618.db2.gz BWFXCCVENAAFHG-HNNXBMFYSA-N -1 0 333.771 3.841 20 0 EHADRM CC(C)c1cccc(C(=O)OCc2ccc(C(=O)[O-])c(Cl)c2)n1 ZINC001591986997 976611054 /nfs/dbraw/zinc/61/10/54/976611054.db2.gz KKUWWSJCJJRKNF-UHFFFAOYSA-N -1 0 333.771 3.914 20 0 EHADRM CC(C)c1cccc(OCC(=O)O[C@@H](C(=O)[O-])c2ccsc2)c1 ZINC001591994501 976632706 /nfs/dbraw/zinc/63/27/06/976632706.db2.gz NXDFVSAOULRCHA-MRXNPFEDSA-N -1 0 334.393 3.619 20 0 EHADRM CC(C)c1nc(C(=O)O[C@H](CCCc2ccccc2)C(=O)[O-])cs1 ZINC001592011794 976691389 /nfs/dbraw/zinc/69/13/89/976691389.db2.gz UHIBWOALBRLBSH-OAHLLOKOSA-N -1 0 347.436 3.899 20 0 EHADRM CC(C)c1nc(NC(=O)[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)sc1C(=O)[O-] ZINC001592021557 976714763 /nfs/dbraw/zinc/71/47/63/976714763.db2.gz FLSKEZFVLHUNTE-HLTSFMKQSA-N -1 0 344.383 3.585 20 0 EHADRM CC(C)c1nc(NC(=O)C[C@@H]2CCC(F)(F)C2)sc1C(=O)[O-] ZINC001592022583 976720297 /nfs/dbraw/zinc/72/02/97/976720297.db2.gz QGBZNGDYWQHATL-QMMMGPOBSA-N -1 0 332.372 3.729 20 0 EHADRM CC(C)c1nc(NC(=O)c2cccc3cc[nH]c32)sc1C(=O)[O-] ZINC001592028634 976729426 /nfs/dbraw/zinc/72/94/26/976729426.db2.gz PBFZEZMZFFVTLJ-UHFFFAOYSA-N -1 0 329.381 3.698 20 0 EHADRM CC(C)c1nn(C)cc1-c1noc(-c2cc(C(=O)[O-])ccc2Cl)n1 ZINC001592050799 976793468 /nfs/dbraw/zinc/79/34/68/976793468.db2.gz WKHSAVLEKGVRSM-UHFFFAOYSA-N -1 0 346.774 3.612 20 0 EHADRM CC(C)c1nnc(N2CCC[C@H](C(=O)[O-])C2)n1CCC(C)(C)C1CC1 ZINC001592061387 976817161 /nfs/dbraw/zinc/81/71/61/976817161.db2.gz QVYBVYXUPRHGIA-AWEZNQCLSA-N -1 0 348.491 3.529 20 0 EHADRM CC(C)c1noc2ncc(C(=O)O[C@H](C)c3cc(C(=O)[O-])co3)cc21 ZINC001592106451 976883711 /nfs/dbraw/zinc/88/37/11/976883711.db2.gz RHGIZLQQZCDLFZ-SECBINFHSA-N -1 0 344.323 3.555 20 0 EHADRM CC(C)n1ncc(C(=O)OC2CC(CC(=O)[O-])C2)c1-c1ccccc1 ZINC001592153085 977023905 /nfs/dbraw/zinc/02/39/05/977023905.db2.gz BRBBQJKCFSWPMN-UHFFFAOYSA-N -1 0 342.395 3.541 20 0 EHADRM C[C@@H](C1CC1)n1cc(NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cn1 ZINC001592181263 977101723 /nfs/dbraw/zinc/10/17/23/977101723.db2.gz JGQZCMCBZFGSAR-VIFPVBQESA-N -1 0 348.790 3.850 20 0 EHADRM CC(C)c1ccc(C2(C(=O)N[C@@H](C)/C=C\C(=O)[O-])CCCC2)cc1 ZINC001592192061 977139496 /nfs/dbraw/zinc/13/94/96/977139496.db2.gz DJVWAWXYMGTTPK-FTXNUJCXSA-N -1 0 329.440 3.767 20 0 EHADRM Cc1nc2cc([N-]S(=O)(=O)c3cc(F)cc(Cl)c3)ccc2o1 ZINC000339411776 1014374587 /nfs/dbraw/zinc/37/45/87/1014374587.db2.gz JJYYEVZYBCNFHL-UHFFFAOYSA-N -1 0 340.763 3.730 20 0 EHADRM C[C@@H](CC(=O)N(C)Cc1ccc(OCC(=O)[O-])cc1)CC(C)(C)C ZINC001592226448 977419113 /nfs/dbraw/zinc/41/91/13/977419113.db2.gz XUVIOKWNKHVAOQ-AWEZNQCLSA-N -1 0 335.444 3.571 20 0 EHADRM C[C@H](CC(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-])Cc1ccc(Cl)cc1 ZINC001592228131 977427657 /nfs/dbraw/zinc/42/76/57/977427657.db2.gz YFPDHJKXZGSBLN-GKEYINFOSA-N -1 0 349.858 3.620 20 0 EHADRM C[C@H](CC(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21)n1cccc1 ZINC001592239581 977449502 /nfs/dbraw/zinc/44/95/02/977449502.db2.gz CHTJQVZRSYXNSR-KUHUBIRLSA-N -1 0 336.391 3.535 20 0 EHADRM C[C@@H](CC(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-])c1ccncc1 ZINC001592262725 977510299 /nfs/dbraw/zinc/51/02/99/977510299.db2.gz ZXDXPVDQJJVCMI-VIFPVBQESA-N -1 0 336.750 3.705 20 0 EHADRM C[C@H](CC(=O)Nc1cccc(F)c1C(=O)[O-])c1ccc(F)cc1F ZINC001592274458 977548071 /nfs/dbraw/zinc/54/80/71/977548071.db2.gz OOWRJSSSLYEZLK-SECBINFHSA-N -1 0 337.297 3.934 20 0 EHADRM C[C@H](CC(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2)CC(C)(C)C ZINC001592278504 977565834 /nfs/dbraw/zinc/56/58/34/977565834.db2.gz XMRSKWCSNKLGME-GHMZBOCLSA-N -1 0 338.473 3.734 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)c1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC001592303664 977658668 /nfs/dbraw/zinc/65/86/68/977658668.db2.gz FLCZGIKVQITKSJ-AWEZNQCLSA-N -1 0 349.736 3.732 20 0 EHADRM O=C([O-])CN(C(=O)NCc1ccc(C(F)F)cc1)C1CCCCC1 ZINC000654812352 1014429705 /nfs/dbraw/zinc/42/97/05/1014429705.db2.gz YLSKFYBOOOUREH-UHFFFAOYSA-N -1 0 340.370 3.553 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)NC1(c2c(Cl)cccc2Cl)CC1 ZINC001592381941 977922393 /nfs/dbraw/zinc/92/23/93/977922393.db2.gz RZGYUIHKRPEXRT-SECBINFHSA-N -1 0 330.211 3.600 20 0 EHADRM C[C@H](CC(=O)Oc1ccc(CC(=O)[O-])cc1)c1ccc(F)cc1F ZINC001592434113 978072014 /nfs/dbraw/zinc/07/20/14/978072014.db2.gz SXFBBIBJJFJDSM-LLVKDONJSA-N -1 0 334.318 3.691 20 0 EHADRM C[C@@H](Oc1ccc(NC(=O)[C@@H](C)CC(C)(C)C)cc1F)C(=O)[O-] ZINC001592439368 978089922 /nfs/dbraw/zinc/08/99/22/978089922.db2.gz GUWIBIXXYOAHSZ-WDEREUQCSA-N -1 0 325.380 3.688 20 0 EHADRM C[C@H](CC(C)(C)CC(=O)[O-])Nc1cccc(C(=O)NC(C)(C)C)c1 ZINC001592446355 978124283 /nfs/dbraw/zinc/12/42/83/978124283.db2.gz WUOWVWRTWYDYEE-CYBMUJFWSA-N -1 0 334.460 3.906 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001592451628 978137427 /nfs/dbraw/zinc/13/74/27/978137427.db2.gz CVRHXZVFPUDDLA-VUZGARFFSA-N -1 0 343.467 3.894 20 0 EHADRM C[C@H](CCC1CCCCC1)NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001592476657 978236472 /nfs/dbraw/zinc/23/64/72/978236472.db2.gz BCPKAJAQKRXWGP-CQSZACIVSA-N -1 0 332.444 3.933 20 0 EHADRM CCC[C@@](C)(NC(=O)Nc1ccc(F)c(C(F)(F)F)c1)C(=O)[O-] ZINC000320433231 1014473570 /nfs/dbraw/zinc/47/35/70/1014473570.db2.gz HLJWYQBBXRUJDX-CYBMUJFWSA-N -1 0 336.285 3.609 20 0 EHADRM CC(C)(C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21)c1ccc(Cl)cc1 ZINC000736224155 978311432 /nfs/dbraw/zinc/31/14/32/978311432.db2.gz OMKANZAULLVLKW-OAHLLOKOSA-N -1 0 343.810 3.833 20 0 EHADRM CC(C)c1ccc2c(c1)CCCN2C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000736520268 978340331 /nfs/dbraw/zinc/34/03/31/978340331.db2.gz BFGYBHXZOTYLDM-IRXDYDNUSA-N -1 0 329.440 3.980 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N[C@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000736511758 978340384 /nfs/dbraw/zinc/34/03/84/978340384.db2.gz CRJGUKTTWNSNNB-PBHICJAKSA-N -1 0 332.444 3.562 20 0 EHADRM C[C@H](CS[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000736620098 978345812 /nfs/dbraw/zinc/34/58/12/978345812.db2.gz WPDZJXUETCHMML-SFYZADRCSA-N -1 0 336.240 3.774 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001592545896 978430580 /nfs/dbraw/zinc/43/05/80/978430580.db2.gz FUCGNAGBYFMORM-ZDUSSCGKSA-N -1 0 341.382 3.682 20 0 EHADRM COc1ccc(C(=O)CSc2nc3ccc(C(=O)[O-])cc3o2)cc1 ZINC000737920926 978458656 /nfs/dbraw/zinc/45/86/56/978458656.db2.gz TYXKEGFADZUVTM-UHFFFAOYSA-N -1 0 343.360 3.510 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)C1CCC(C)(C)CC1)C(=O)[O-] ZINC001592602503 978540590 /nfs/dbraw/zinc/54/05/90/978540590.db2.gz RLODPIOVFLOWQO-HNNXBMFYSA-N -1 0 331.456 3.952 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CC[C@@H](c3ccccc3F)C2)c(F)c1 ZINC000740148295 978670934 /nfs/dbraw/zinc/67/09/34/978670934.db2.gz UJGDWELUXKLOFM-GFCCVEGCSA-N -1 0 346.333 3.684 20 0 EHADRM Cc1[nH]c2c(cccc2C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1C ZINC000746357252 978683309 /nfs/dbraw/zinc/68/33/09/978683309.db2.gz WVHCIVOUWDNEAV-UHFFFAOYSA-N -1 0 326.327 3.874 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000767185557 978736453 /nfs/dbraw/zinc/73/64/53/978736453.db2.gz KLBKUBCGBANUCR-WOLCWHLNSA-N -1 0 345.439 3.638 20 0 EHADRM CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000767207234 978736571 /nfs/dbraw/zinc/73/65/71/978736571.db2.gz KRYQNSTWUDDFHO-UHFFFAOYSA-N -1 0 345.370 3.839 20 0 EHADRM CC/C(=C/C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccc(C)cc1 ZINC000777368870 978777256 /nfs/dbraw/zinc/77/72/56/978777256.db2.gz UOOYCTGIVRYGMW-WNJRYGEDSA-N -1 0 349.430 3.999 20 0 EHADRM C/C(=C\c1ccccc1Cl)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000799247587 978839479 /nfs/dbraw/zinc/83/94/79/978839479.db2.gz WCMMAMRQCYRPJN-HBIYDYFMSA-N -1 0 341.794 3.958 20 0 EHADRM CN(CCCOc1ccccc1)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811815767 978859284 /nfs/dbraw/zinc/85/92/84/978859284.db2.gz AKHMKUCMDDDROW-UHFFFAOYSA-N -1 0 347.798 3.579 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N[C@@H]2CCc3cc(F)ccc32)c1 ZINC000811817381 978861826 /nfs/dbraw/zinc/86/18/26/978861826.db2.gz LXGYLXLWKVXJQC-OAHLLOKOSA-N -1 0 333.746 3.595 20 0 EHADRM Cc1cccc(OC[C@@H](C)NC(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000811820442 978864799 /nfs/dbraw/zinc/86/47/99/978864799.db2.gz XZDVRGFJTPUDGN-GFCCVEGCSA-N -1 0 347.798 3.544 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)OCC/C=C/c1ccc(Br)cc1 ZINC000827342099 978955993 /nfs/dbraw/zinc/95/59/93/978955993.db2.gz RKSNNHZARDWWKR-JRBALWBOSA-N -1 0 341.201 3.506 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc2c(cccc2Cl)s1 ZINC000828633677 978986415 /nfs/dbraw/zinc/98/64/15/978986415.db2.gz BQRVOMUUTWQSRA-HNNXBMFYSA-N -1 0 325.817 3.928 20 0 EHADRM C[C@H](CNC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21)C(C)(C)C ZINC001592672259 979075660 /nfs/dbraw/zinc/07/56/60/979075660.db2.gz AZQWDQBBZWGASS-CZUORRHYSA-N -1 0 346.471 3.786 20 0 EHADRM CC[C@@H](C)n1nc(C(=O)Oc2cc(C(=O)[O-])cc(F)c2C)cc1C ZINC001595022273 979103388 /nfs/dbraw/zinc/10/33/88/979103388.db2.gz JQENFNSGOXYAEA-SECBINFHSA-N -1 0 334.347 3.527 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC001592682550 979104103 /nfs/dbraw/zinc/10/41/03/979104103.db2.gz NQHSDSJCSSCCQP-LLVKDONJSA-N -1 0 348.786 3.975 20 0 EHADRM O=C([O-])Nc1cc(C(=O)OC[C@@H]2CCCS2)cc(C(F)(F)F)c1 ZINC000833284529 979139717 /nfs/dbraw/zinc/13/97/17/979139717.db2.gz UYVVUVKTKPRCKZ-NSHDSACASA-N -1 0 349.330 3.848 20 0 EHADRM CC[C@H](CC(C)C)C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC001595035407 979184081 /nfs/dbraw/zinc/18/40/81/979184081.db2.gz FLBYDVVQBXTUJO-VXGBXAGGSA-N -1 0 325.380 3.688 20 0 EHADRM CC[C@H](CC(C)C)C(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001595036298 979192621 /nfs/dbraw/zinc/19/26/21/979192621.db2.gz RHXGPEJZJJFUEJ-CZUORRHYSA-N -1 0 331.412 3.617 20 0 EHADRM CC[C@H](CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])C(C)(C)C ZINC001595037214 979203805 /nfs/dbraw/zinc/20/38/05/979203805.db2.gz UBEWALRBOSHRRT-PBHICJAKSA-N -1 0 344.455 3.742 20 0 EHADRM CC[C@@H](CC(=O)Nc1cnc(C)c(C(=O)[O-])c1)c1ccc(C)cc1 ZINC001595037238 979205065 /nfs/dbraw/zinc/20/50/65/979205065.db2.gz VAAQHSGSDYOINF-AWEZNQCLSA-N -1 0 326.396 3.919 20 0 EHADRM CC[C@@H](CC(=O)Nc1cc(C)[nH]c1C(=O)[O-])c1ccc(OC)cc1 ZINC001595037321 979206013 /nfs/dbraw/zinc/20/60/13/979206013.db2.gz ZKJCVQQAGDJACU-LBPRGKRZSA-N -1 0 330.384 3.552 20 0 EHADRM C[C@@H](Oc1ccc(C(=O)NCCCCC(=O)[O-])cc1)c1ccccc1 ZINC000836717745 979248783 /nfs/dbraw/zinc/24/87/83/979248783.db2.gz FAFAEFCSKVCQOY-OAHLLOKOSA-N -1 0 341.407 3.811 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000840943603 979281055 /nfs/dbraw/zinc/28/10/55/979281055.db2.gz HBCIHRIGDUIJKI-OLZOCXBDSA-N -1 0 329.371 3.831 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2ccc3nc(Cl)ccc3c2)C1 ZINC000842764667 979327906 /nfs/dbraw/zinc/32/79/06/979327906.db2.gz IFIJMKCXPFLQAP-GFCCVEGCSA-N -1 0 346.814 3.605 20 0 EHADRM CCC(CC)(CNC(=O)[C@H](C)c1cccc(CC(C)C)c1)C(=O)[O-] ZINC001595064866 979328815 /nfs/dbraw/zinc/32/88/15/979328815.db2.gz QWFWYKBSPXKVBQ-OAHLLOKOSA-N -1 0 333.472 3.996 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cccnc1-c1ccccc1)C(=O)[O-] ZINC001595071548 979342387 /nfs/dbraw/zinc/34/23/87/979342387.db2.gz DYFOCNBSBJJSOQ-UHFFFAOYSA-N -1 0 341.411 3.761 20 0 EHADRM CCC(CC)(CNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])c1ccc(F)cc1 ZINC001595071479 979342416 /nfs/dbraw/zinc/34/24/16/979342416.db2.gz ADIZCBOGCNDXEA-DLBZAZTESA-N -1 0 349.446 3.891 20 0 EHADRM CCC(CC)(C[NH2+]Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1)C(=O)[O-] ZINC001595079468 979363246 /nfs/dbraw/zinc/36/32/46/979363246.db2.gz OGBLCJIENUADMN-UHFFFAOYSA-N -1 0 345.395 3.625 20 0 EHADRM CCC(CC)(NC(=O)/C=C\c1ccc(F)c2ccccc12)C(=O)[O-] ZINC001595090680 979382804 /nfs/dbraw/zinc/38/28/04/979382804.db2.gz LKELFKSABZIILJ-BENRWUELSA-N -1 0 329.371 3.752 20 0 EHADRM CCC(CC)(NC(=O)CCCOc1cccc2ccccc21)C(=O)[O-] ZINC001595090962 979384164 /nfs/dbraw/zinc/38/41/64/979384164.db2.gz QDARYAQINITLQU-UHFFFAOYSA-N -1 0 343.423 3.758 20 0 EHADRM CCC(CC)(NC(=O)Cc1coc2c1ccc(Cl)c2C)C(=O)[O-] ZINC001595093391 979391443 /nfs/dbraw/zinc/39/14/43/979391443.db2.gz SVGZHXMFWKKMCN-UHFFFAOYSA-N -1 0 337.803 3.697 20 0 EHADRM CCC(CC)[C@@H](C)C(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12 ZINC001595105675 979425066 /nfs/dbraw/zinc/42/50/66/979425066.db2.gz CWKDNJNKTSLDID-GFCCVEGCSA-N -1 0 344.411 3.709 20 0 EHADRM CCC(CC)[C@@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1ccccc1 ZINC001595109204 979440599 /nfs/dbraw/zinc/44/05/99/979440599.db2.gz DWWVRACYGOOHPF-BMGDILEWSA-N -1 0 346.471 3.916 20 0 EHADRM CCC(CC)[C@@H](NC(=O)c1cncc(C(=O)[O-])c1)c1ccccc1 ZINC001595109970 979450604 /nfs/dbraw/zinc/45/06/04/979450604.db2.gz PFZMYEAWKYSJPO-QGZVFWFLSA-N -1 0 326.396 3.687 20 0 EHADRM CCCN(C(=O)c1ccccc1NC(=O)CCCCC(=O)[O-])C(C)C ZINC000848447399 979470578 /nfs/dbraw/zinc/47/05/78/979470578.db2.gz QWVLMGAORHUGBB-UHFFFAOYSA-N -1 0 348.443 3.531 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)c2ccc(/C=C\C(=O)[O-])o2)c1C ZINC000851595593 979509566 /nfs/dbraw/zinc/50/95/66/979509566.db2.gz OSSWAOWXRYCVHF-FPISAVPCSA-N -1 0 339.391 3.972 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1 ZINC001595125703 979509539 /nfs/dbraw/zinc/50/95/39/979509539.db2.gz GPARKSAPKXUPBD-LBPRGKRZSA-N -1 0 329.400 3.806 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)Nc1cc(C)sc1C(=O)[O-] ZINC001595126016 979513887 /nfs/dbraw/zinc/51/38/87/979513887.db2.gz GIZOORJVJDYUJG-UHFFFAOYSA-N -1 0 335.429 3.873 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N2CC3(CCCC3)c3ccccc32)o1 ZINC000851600898 979520621 /nfs/dbraw/zinc/52/06/21/979520621.db2.gz HUHBVZSDESROBO-CSKARUKUSA-N -1 0 337.375 3.850 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)NC2(Cc3ccccc3)CCCC2)o1 ZINC000851603241 979525570 /nfs/dbraw/zinc/52/55/70/979525570.db2.gz MFQVQBOGSHCKKK-LUAWRHEFSA-N -1 0 339.391 3.663 20 0 EHADRM CC[C@@H](CCc1ccccc1)NC(=O)Nc1cc(C(=O)[O-])cs1 ZINC001595130290 979540783 /nfs/dbraw/zinc/54/07/83/979540783.db2.gz WJMNBASEMUAZMY-AWEZNQCLSA-N -1 0 332.425 3.979 20 0 EHADRM C[C@H](CSc1ccccc1)N(C)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001592833064 979567712 /nfs/dbraw/zinc/56/77/12/979567712.db2.gz ZNSLXAMTSQJXJL-RBSFLKMASA-N -1 0 335.469 3.517 20 0 EHADRM CC[C@@](CNC(=O)CC1(C)CCCCC1)(C(=O)[O-])c1ccccc1 ZINC001595140964 979603350 /nfs/dbraw/zinc/60/33/50/979603350.db2.gz WKUYXBLMODYZSY-FQEVSTJZSA-N -1 0 331.456 3.896 20 0 EHADRM CC[C@@](CNC(=O)/C=C(\C)c1cccs1)(C(=O)[O-])c1ccccc1 ZINC000856926300 979611814 /nfs/dbraw/zinc/61/18/14/979611814.db2.gz ANJITPQTZXROOF-XUDAUXSOSA-N -1 0 343.448 3.700 20 0 EHADRM CC[C@H](CNC(=O)Nc1cc(C(=O)[O-])cs1)Oc1cccc(C)c1 ZINC001595152506 979647560 /nfs/dbraw/zinc/64/75/60/979647560.db2.gz KYAAQWJQYQMYSM-CYBMUJFWSA-N -1 0 348.424 3.734 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC001592855045 979659359 /nfs/dbraw/zinc/65/93/59/979659359.db2.gz ZMQOADMPBKMKTG-SUMWQHHRSA-N -1 0 335.419 3.544 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)C[C@@]2(C)CC2(Cl)Cl)cc1)C(=O)[O-] ZINC001592857853 979667025 /nfs/dbraw/zinc/66/70/25/979667025.db2.gz AHTPPKKMIPDSQB-BONVTDFDSA-N -1 0 344.238 3.862 20 0 EHADRM CC(C)[C@@H]1CCCN(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)C1 ZINC001592859897 979685357 /nfs/dbraw/zinc/68/53/57/979685357.db2.gz AFBQCEYXXYRRJC-GOEBONIOSA-N -1 0 332.444 3.850 20 0 EHADRM CC[C@](CNC(=O)c1ccc(Cl)cc1F)(C(=O)[O-])c1ccccc1 ZINC001595160783 979687568 /nfs/dbraw/zinc/68/75/68/979687568.db2.gz RARMLIVUOWDAIX-GOSISDBHSA-N -1 0 349.789 3.642 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)/C=C/c2ccc(C(=O)[O-])o2)c1 ZINC000864102824 979688083 /nfs/dbraw/zinc/68/80/83/979688083.db2.gz ACLMBYKOMAVSDQ-XAVKZTDYSA-N -1 0 325.364 3.663 20 0 EHADRM CC(C)[C@@H](c1ccccc1)N(C)C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000864110675 979701566 /nfs/dbraw/zinc/70/15/66/979701566.db2.gz VZHDHWSMTAWTGJ-BBVFFXRHSA-N -1 0 327.380 3.847 20 0 EHADRM CC(C)[C@H]1N(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)CC12CCC2 ZINC001592861800 979702752 /nfs/dbraw/zinc/70/27/52/979702752.db2.gz XHDOKHQZVVFHBO-RHSMWYFYSA-N -1 0 344.455 3.992 20 0 EHADRM C[C@@H]1CCN(C(=O)/C=C/c2cc(C(=O)[O-])co2)[C@H](c2ccco2)C1 ZINC000864113207 979705202 /nfs/dbraw/zinc/70/52/02/979705202.db2.gz LWFFEQKBCWVKHI-WNTXTPNSSA-N -1 0 329.352 3.584 20 0 EHADRM O=C([O-])CCCCCNC(=O)/C=C\c1csc(C(F)(F)F)c1 ZINC000864120691 979717106 /nfs/dbraw/zinc/71/71/06/979717106.db2.gz ZWZCUROIVZXHQG-WAYWQWQTSA-N -1 0 335.347 3.541 20 0 EHADRM CC(C)C[C@@H](CNC(=O)/C=C\c1ccsc1C(F)(F)F)C(=O)[O-] ZINC000864122580 979720220 /nfs/dbraw/zinc/72/02/20/979720220.db2.gz SWUNHWRUEJTMEV-BYCRGOAPSA-N -1 0 349.374 3.643 20 0 EHADRM O=C([O-])c1coc(/C=C/C(=O)N(Cc2ccco2)C2CCCC2)c1 ZINC000864124801 979724326 /nfs/dbraw/zinc/72/43/26/979724326.db2.gz JYORPOPNOJNNNF-BQYQJAHWSA-N -1 0 329.352 3.555 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000864124714 979724595 /nfs/dbraw/zinc/72/45/95/979724595.db2.gz GKLGJMNUQRZMRA-JXMROGBWSA-N -1 0 343.379 3.936 20 0 EHADRM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000864128971 979729507 /nfs/dbraw/zinc/72/95/07/979729507.db2.gz BCLSDNGCNDFZAW-XBWLEZLWSA-N -1 0 343.354 3.535 20 0 EHADRM C[C@H](Cc1ccc(NC[C@@H](O)c2cccc(Cl)c2)cc1)C(=O)[O-] ZINC001592876593 979740533 /nfs/dbraw/zinc/74/05/33/979740533.db2.gz AWPWMDHHTHGSGK-SJKOYZFVSA-N -1 0 333.815 3.749 20 0 EHADRM CC(C)N(C(=O)CNc1ccc(C[C@H](C)C(=O)[O-])cc1)C1CCCC1 ZINC001592877313 979743967 /nfs/dbraw/zinc/74/39/67/979743967.db2.gz JPASOJXLBDZBHP-HNNXBMFYSA-N -1 0 346.471 3.541 20 0 EHADRM C[C@@]1(Cc2ccccc2)CCCN1C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000864144390 979749738 /nfs/dbraw/zinc/74/97/38/979749738.db2.gz RYQBZDBRIRWFDI-GWQNQTGSSA-N -1 0 339.391 3.615 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001592884900 979767105 /nfs/dbraw/zinc/76/71/05/979767105.db2.gz FILRAVUYRCAVAD-SNVBAGLBSA-N -1 0 336.746 3.962 20 0 EHADRM C[C@H](CCc1ccc(F)cc1)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000864158129 979770034 /nfs/dbraw/zinc/77/00/34/979770034.db2.gz BHVKIAPSZUMVEW-CYBMUJFWSA-N -1 0 341.382 3.635 20 0 EHADRM C[C@H](Cc1cccc(F)c1)N(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001592885802 979771634 /nfs/dbraw/zinc/77/16/34/979771634.db2.gz SRCCQZZMUXGJMG-LLVKDONJSA-N -1 0 348.349 3.758 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC001592890725 979779191 /nfs/dbraw/zinc/77/91/91/979779191.db2.gz KEQZNZJWEWEFHL-CYBMUJFWSA-N -1 0 337.847 3.670 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC001592891580 979784513 /nfs/dbraw/zinc/78/45/13/979784513.db2.gz QPQCKWQGASGGLS-CQSZACIVSA-N -1 0 345.826 3.632 20 0 EHADRM O=C([O-])C1=CC[C@@H](NC(=O)Cc2ccc(C3CCCCC3)cc2)C1 ZINC000864169369 979795970 /nfs/dbraw/zinc/79/59/70/979795970.db2.gz TVRKAIRAIVKAOP-GOSISDBHSA-N -1 0 327.424 3.566 20 0 EHADRM CC[C@@H](COC(=O)c1oc2ccccc2c1COC(C)C)C(=O)[O-] ZINC001595183502 979817756 /nfs/dbraw/zinc/81/77/56/979817756.db2.gz ONHMFAUPSFCYRG-LBPRGKRZSA-N -1 0 334.368 3.625 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)c2ccc(/C=C/C(=O)[O-])o2)c2ccccc21 ZINC000864177943 979823285 /nfs/dbraw/zinc/82/32/85/979823285.db2.gz UBPXQKUKIDGLOR-HQPKTYMTSA-N -1 0 325.364 3.777 20 0 EHADRM Cc1ccc(C(=O)N(CC2CC2)c2cccc(F)c2)cc1C(=O)[O-] ZINC000864179386 979825797 /nfs/dbraw/zinc/82/57/97/979825797.db2.gz OSVRMXIMTBOFAU-UHFFFAOYSA-N -1 0 327.355 3.889 20 0 EHADRM C[C@@H](CC(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)[O-])c1ccco1 ZINC000864195945 979858335 /nfs/dbraw/zinc/85/83/35/979858335.db2.gz ICPIOCSBUAOPLD-KPZWWZAWSA-N -1 0 349.814 3.629 20 0 EHADRM COc1ccccc1[C@@H]1CCCN(C(=O)CC(C)(C)CC(=O)[O-])CC1 ZINC000864228607 979920626 /nfs/dbraw/zinc/92/06/26/979920626.db2.gz QBYDWJFCEPICNE-OAHLLOKOSA-N -1 0 347.455 3.682 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)CC(C)(C)C(F)(F)F)c1 ZINC000864231693 979930292 /nfs/dbraw/zinc/93/02/92/979930292.db2.gz JFUNKLJXYZRPPE-GFCCVEGCSA-N -1 0 331.334 3.606 20 0 EHADRM O=C([O-])c1cnc(N2CCC(c3cc4ccccc4[nH]3)CC2)s1 ZINC000864511445 979939385 /nfs/dbraw/zinc/93/93/85/979939385.db2.gz YAHWHRSSMKEOPH-UHFFFAOYSA-N -1 0 327.409 3.707 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)Nc1c(F)ccc(F)c1C(=O)[O-] ZINC001595210941 979986645 /nfs/dbraw/zinc/98/66/45/979986645.db2.gz MYCITJCYAUKPEW-GFCCVEGCSA-N -1 0 333.334 3.870 20 0 EHADRM CC(F)(F)c1cc(F)ccc1NC(=O)NCC1(C(=O)[O-])CCCC1 ZINC001592943684 980016035 /nfs/dbraw/zinc/01/60/35/980016035.db2.gz NOQBVPMYCLGBNY-UHFFFAOYSA-N -1 0 344.333 3.704 20 0 EHADRM CC(F)(F)c1ccccc1NC(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001592945382 980026724 /nfs/dbraw/zinc/02/67/24/980026724.db2.gz YYSGOYYHGARKNZ-UHFFFAOYSA-N -1 0 340.370 3.955 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC001595219261 980037817 /nfs/dbraw/zinc/03/78/17/980037817.db2.gz NDZVSWSGMGGEKF-ZDUSSCGKSA-N -1 0 327.380 3.606 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2sccc2C(F)F)[C@H]2CCCC[C@H]12 ZINC000872733141 980125057 /nfs/dbraw/zinc/12/50/57/980125057.db2.gz ROJQYQBEOKJYAG-FOGDFJRCSA-N -1 0 343.395 3.791 20 0 EHADRM CC[C@@](NC(=O)/C(F)=C\C1CCCCC1)(C(=O)[O-])c1ccccc1 ZINC001595232838 980126644 /nfs/dbraw/zinc/12/66/44/980126644.db2.gz JWMGHCMCXUIBLM-XAVZPLJISA-N -1 0 333.403 3.926 20 0 EHADRM CC[C@@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccc(Cl)cc1 ZINC001595237935 980152350 /nfs/dbraw/zinc/15/23/50/980152350.db2.gz ZVGFJOKFDPEWFJ-QSYFUGGGSA-N -1 0 333.771 3.912 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)[C@@H]1CCC[C@H]1Cc1ccccc1)CC2 ZINC000872765489 980152607 /nfs/dbraw/zinc/15/26/07/980152607.db2.gz OWHVNGYEWQVUDY-OOSNJVJTSA-N -1 0 341.451 3.501 20 0 EHADRM CC[C@H](NC(=O)Cc1ccc(C(=O)[O-])cc1)c1ccc(Cl)s1 ZINC001595243176 980173039 /nfs/dbraw/zinc/17/30/39/980173039.db2.gz UVKYUNKXBOCFLA-LBPRGKRZSA-N -1 0 337.828 3.910 20 0 EHADRM C[C@@H](NC(=O)C1(C(=O)[O-])CC2(CCC2)C1)c1ccc2ncsc2c1 ZINC001592994458 980203989 /nfs/dbraw/zinc/20/39/89/980203989.db2.gz YXHVIUSPNKHJGH-LLVKDONJSA-N -1 0 344.436 3.509 20 0 EHADRM C[C@@H](NC(=O)C1CCCCCCC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593007387 980226753 /nfs/dbraw/zinc/22/67/53/980226753.db2.gz TXXIWVYXPBJCBU-QAPCUYQASA-N -1 0 331.456 3.795 20 0 EHADRM Cc1nn(C(C)C)c(C)c1CNc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000900039409 980239143 /nfs/dbraw/zinc/23/91/43/980239143.db2.gz YCENYOOAQMJGJI-ZDUSSCGKSA-N -1 0 329.444 3.956 20 0 EHADRM CC[C@](NC(=O)[C@H]1CC[C@H](C(C)C)CC1)(C(=O)[O-])c1ccccc1 ZINC001595259375 980264729 /nfs/dbraw/zinc/26/47/29/980264729.db2.gz YLDJBLLHOXVRFV-JXXFODFXSA-N -1 0 331.456 3.955 20 0 EHADRM CC[C@H](NC(=O)c1ccc(/C=C\C(=O)[O-])o1)c1ccc(Cl)cc1 ZINC001595268972 980281569 /nfs/dbraw/zinc/28/15/69/980281569.db2.gz AZCUGJGKOOGCEF-GDAGCXPBSA-N -1 0 333.771 3.912 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(/C=C\C(=O)[O-])o1)c1ccc(F)cc1F ZINC001595269285 980285308 /nfs/dbraw/zinc/28/53/08/980285308.db2.gz YCJRSGDVDXLPEA-BMWLXYDHSA-N -1 0 335.306 3.537 20 0 EHADRM CC(C)[C@@H]1CN(Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CCO1 ZINC000901438788 980287598 /nfs/dbraw/zinc/28/75/98/980287598.db2.gz PHAKKGVPLJFTMP-SFHVURJKSA-N -1 0 329.396 3.502 20 0 EHADRM C[C@H](NC(=O)N1CCC(CC(=O)[O-])CC1)c1cccc(C2CC2)c1 ZINC001593054250 980363078 /nfs/dbraw/zinc/36/30/78/980363078.db2.gz MRQVEXLYTQLDIW-ZDUSSCGKSA-N -1 0 330.428 3.521 20 0 EHADRM COC[C@H](CC1CCOCC1)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC000901548920 980374284 /nfs/dbraw/zinc/37/42/84/980374284.db2.gz HQAXTUAWGUDFBG-KRWDZBQOSA-N -1 0 343.423 3.782 20 0 EHADRM CC[C@@](NCc1ncc(Cl)cc1Cl)(C(=O)[O-])c1ccccc1 ZINC001595304842 980440387 /nfs/dbraw/zinc/44/03/87/980440387.db2.gz AIYSDVSPOOJUKP-INIZCTEOSA-N -1 0 339.222 3.868 20 0 EHADRM O=C([O-])c1cc(NCc2cccc(O)c2)ccc1N1CCCCC1 ZINC000901775299 980505247 /nfs/dbraw/zinc/50/52/47/980505247.db2.gz LSEVDEIQPUBJAW-UHFFFAOYSA-N -1 0 326.396 3.693 20 0 EHADRM CC[C@@H](Nc1ccc(OC[C@H]2CCCO2)cc1)C1(C(=O)[O-])CCC1 ZINC001595319088 980505862 /nfs/dbraw/zinc/50/58/62/980505862.db2.gz YNGSFILDGZMTJW-IAGOWNOFSA-N -1 0 333.428 3.690 20 0 EHADRM Cc1ccc([C@@H](NCc2cnc([C@@H]3CCCO3)s2)C(=O)[O-])cc1C ZINC000901852121 980578048 /nfs/dbraw/zinc/57/80/48/980578048.db2.gz XLQSFDKVGPCTQN-JKSUJKDBSA-N -1 0 346.452 3.527 20 0 EHADRM CCc1nc(CN[C@@](CC)(C(=O)[O-])c2ccc(Cl)cc2)cs1 ZINC000901871582 980584120 /nfs/dbraw/zinc/58/41/20/980584120.db2.gz DUOMUSJTPMPNPO-MRXNPFEDSA-N -1 0 338.860 3.839 20 0 EHADRM CC[C@@H](OC(=O)CC(C)(C)CC(=O)[O-])C(=O)c1ccc(Cl)cc1 ZINC001595335834 980590353 /nfs/dbraw/zinc/59/03/53/980590353.db2.gz GHFHEGROLUBHCR-CYBMUJFWSA-N -1 0 340.803 3.736 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC001595354598 980693922 /nfs/dbraw/zinc/69/39/22/980693922.db2.gz AATRZNPFRKZFNL-IPXJXJKCSA-N -1 0 339.476 3.510 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC001595355187 980699878 /nfs/dbraw/zinc/69/98/78/980699878.db2.gz QZCMJMYHIIVMHX-XHSDSOJGSA-N -1 0 339.476 3.606 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC001595356618 980714454 /nfs/dbraw/zinc/71/44/54/980714454.db2.gz LSAYWZJBERBSSM-QGZVFWFLSA-N -1 0 327.380 3.798 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC001595356815 980716032 /nfs/dbraw/zinc/71/60/32/980716032.db2.gz OCCQANGVDFPLCT-QGZVFWFLSA-N -1 0 347.455 3.694 20 0 EHADRM CCc1oc(CNc2cc(Cl)c(OC)cc2OC)cc1C(=O)[O-] ZINC000902062187 980717455 /nfs/dbraw/zinc/71/74/55/980717455.db2.gz IPYDBCDAIYYGNR-UHFFFAOYSA-N -1 0 339.775 3.823 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)OCc1cc(C(=O)[O-])ccc1C ZINC001595357120 980719416 /nfs/dbraw/zinc/71/94/16/980719416.db2.gz QSKRZYULRNSOQI-SFHVURJKSA-N -1 0 342.391 3.902 20 0 EHADRM CCNC(=O)c1cccc(N[C@@H]2CCC[C@@H](CCCC(=O)[O-])C2)c1 ZINC000902069720 980719587 /nfs/dbraw/zinc/71/95/87/980719587.db2.gz HPWZFELBLLWEEF-GOEBONIOSA-N -1 0 332.444 3.662 20 0 EHADRM CC[C@H](SC)C(=O)Nc1cc(-c2ccncc2)sc1C(=O)[O-] ZINC001595358418 980731805 /nfs/dbraw/zinc/73/18/05/980731805.db2.gz JWSZBNJMNNZBEM-NSHDSACASA-N -1 0 336.438 3.588 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccnc(C2CC2)c1 ZINC001595360467 980751724 /nfs/dbraw/zinc/75/17/24/980751724.db2.gz HTMHQMWWWHBVCN-GOSISDBHSA-N -1 0 338.407 3.637 20 0 EHADRM C[C@H](CC(C)(C)CC(=O)[O-])Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000902147570 980757279 /nfs/dbraw/zinc/75/72/79/980757279.db2.gz JQDNAMDNVOAPJN-RHSMWYFYSA-N -1 0 335.444 3.936 20 0 EHADRM O=C([O-])c1cccc(CN2CCC(=Cc3cccc(F)c3)CC2)n1 ZINC000902149270 980758210 /nfs/dbraw/zinc/75/82/10/980758210.db2.gz TZDQKTIBWPNIGV-UHFFFAOYSA-N -1 0 326.371 3.598 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@H]1CC2CCC1CC2 ZINC001595361980 980767299 /nfs/dbraw/zinc/76/72/99/980767299.db2.gz STEZIUOWAKWKAQ-MUDYYLEHSA-N -1 0 329.440 3.877 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)C[C@@H](C)c1ccco1 ZINC001595362051 980767880 /nfs/dbraw/zinc/76/78/80/980767880.db2.gz VEYLVMJKYWHBAP-ZBFHGGJFSA-N -1 0 329.396 3.838 20 0 EHADRM O=C([O-])/C=C\c1ccc(CNc2cccc(COCC3CC3)c2)o1 ZINC000902183306 980772471 /nfs/dbraw/zinc/77/24/71/980772471.db2.gz XIVYFJPEPJOBDC-HJWRWDBZSA-N -1 0 327.380 3.916 20 0 EHADRM O=C([O-])CC1CCC(Nc2cccc(CN3CCCCC3=O)c2)CC1 ZINC000902198585 980779295 /nfs/dbraw/zinc/77/92/95/980779295.db2.gz FASGUTALJNGLJO-UHFFFAOYSA-N -1 0 344.455 3.645 20 0 EHADRM O=C([O-])c1csc(CNc2cccc(CN3CCCCC3=O)c2)c1 ZINC000902198956 980779391 /nfs/dbraw/zinc/77/93/91/980779391.db2.gz KGGOXXFSYKXEEJ-UHFFFAOYSA-N -1 0 344.436 3.571 20 0 EHADRM Cc1c(NCc2csc(C(=O)[O-])c2)cccc1C(=O)N1CCCC1 ZINC000902201261 980780027 /nfs/dbraw/zinc/78/00/27/980780027.db2.gz WHIBGWRZRDJBFX-UHFFFAOYSA-N -1 0 344.436 3.603 20 0 EHADRM CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccsc1C(=O)[O-] ZINC001595363798 980786640 /nfs/dbraw/zinc/78/66/40/980786640.db2.gz IMHXQXMWPFHRTA-ZDUSSCGKSA-N -1 0 333.413 3.846 20 0 EHADRM CCc1oc(CN[C@H](C)c2ccc(C(F)(F)F)nc2)cc1C(=O)[O-] ZINC000902264212 980808484 /nfs/dbraw/zinc/80/84/84/980808484.db2.gz VIHYSPDDUIPDDI-SECBINFHSA-N -1 0 342.317 3.805 20 0 EHADRM Cc1cc(NCc2ccoc2C(=O)[O-])ccc1OCC(F)(F)F ZINC000902285499 980817188 /nfs/dbraw/zinc/81/71/88/980817188.db2.gz MROGMPRGEWZARK-UHFFFAOYSA-N -1 0 329.274 3.839 20 0 EHADRM O=C([O-])COc1ccc(C[NH+]2CCC(c3ccsc3)CC2)cc1 ZINC000902325551 980833623 /nfs/dbraw/zinc/83/36/23/980833623.db2.gz LIUVXDFTOYFQIS-UHFFFAOYSA-N -1 0 331.437 3.591 20 0 EHADRM CCC1(CC)CN(C(=O)Nc2cccc(SCCC(=O)[O-])c2)C1 ZINC001595375250 980893876 /nfs/dbraw/zinc/89/38/76/980893876.db2.gz AOHDZNDSKPODOT-UHFFFAOYSA-N -1 0 336.457 3.907 20 0 EHADRM Cc1nn(CCC(=O)[O-])c(C)c1CNc1ccc(C2CC2)cc1F ZINC000902497432 980911045 /nfs/dbraw/zinc/91/10/45/980911045.db2.gz OYHNZEYBGIMDKX-UHFFFAOYSA-N -1 0 331.391 3.603 20 0 EHADRM CCC1(CNC(=O)NCCc2ccccc2C(=O)[O-])CCCCC1 ZINC001595378117 980913886 /nfs/dbraw/zinc/91/38/86/980913886.db2.gz YSLBBFIGPRGMRH-UHFFFAOYSA-N -1 0 332.444 3.587 20 0 EHADRM CCc1oc(CN2C[C@H](c3ccccc3)OC[C@@H]2C)cc1C(=O)[O-] ZINC000902519181 980917151 /nfs/dbraw/zinc/91/71/51/980917151.db2.gz NJIUBLKFWMCRQG-SCLBCKFNSA-N -1 0 329.396 3.502 20 0 EHADRM CC[C@@H]1CN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)[C@H](C)CO1 ZINC000902534883 980926397 /nfs/dbraw/zinc/92/63/97/980926397.db2.gz VENUAZVNMZTJLP-ZIAGYGMSSA-N -1 0 329.396 3.644 20 0 EHADRM CC[C@@H]1[C@@H](C)CCN1C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001595404977 980984301 /nfs/dbraw/zinc/98/43/01/980984301.db2.gz NQHOHADAGLLPKE-NUEKZKHPSA-N -1 0 332.444 3.669 20 0 EHADRM CC[C@H]1C[C@H](C)CN1C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001595408373 980998099 /nfs/dbraw/zinc/99/80/99/980998099.db2.gz JLPJKMULBHSCPA-WPRPVWTQSA-N -1 0 328.771 3.830 20 0 EHADRM CC[C@H]1C[C@@H](C)CN1C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001595408371 980998162 /nfs/dbraw/zinc/99/81/62/980998162.db2.gz JLPJKMULBHSCPA-SCZZXKLOSA-N -1 0 328.771 3.830 20 0 EHADRM CC[C@@H]1C[C@@H](CC(=O)Nc2cccc(C(=O)[O-])c2Cl)CCO1 ZINC001595413900 981018406 /nfs/dbraw/zinc/01/84/06/981018406.db2.gz UTPZTCOXOUPPRD-WDEREUQCSA-N -1 0 325.792 3.572 20 0 EHADRM CC[C@@H]1CCC[C@H]1C(=O)Nc1cc(Br)ccc1C(=O)[O-] ZINC001595436367 981069294 /nfs/dbraw/zinc/06/92/94/981069294.db2.gz QTVHTGVTTMXVBB-MWLCHTKSSA-N -1 0 340.217 3.912 20 0 EHADRM CC[C@@H]1CCCC[C@H]1C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC001595439236 981074394 /nfs/dbraw/zinc/07/43/94/981074394.db2.gz CSGDXQQVDDBZGD-KZNAEPCWSA-N -1 0 331.456 3.795 20 0 EHADRM C[C@@H](c1ncc(C(C)(C)C)o1)N1CCOc2cc(C(=O)[O-])ccc2C1 ZINC000903958696 981075013 /nfs/dbraw/zinc/07/50/13/981075013.db2.gz JIBOEGIJOMUFAG-LBPRGKRZSA-N -1 0 344.411 3.626 20 0 EHADRM CC[C@@H](CNC(=O)Nc1cc(Cl)ccc1C(C)(C)C)C(=O)[O-] ZINC000905056069 981088245 /nfs/dbraw/zinc/08/82/45/981088245.db2.gz OJEOSAQQPBTSMN-JTQLQIEISA-N -1 0 326.824 3.870 20 0 EHADRM CC[C@@H]1CCCC[C@H]1OCC(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001595448671 981099978 /nfs/dbraw/zinc/09/99/78/981099978.db2.gz STBUOZHVYPPIAE-CLCXKQKWSA-N -1 0 339.476 3.512 20 0 EHADRM CC[C@H]1CCC[C@H]1CNC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001595450895 981104583 /nfs/dbraw/zinc/10/45/83/981104583.db2.gz DWMWFQHXFORPAA-RYUDHWBXSA-N -1 0 329.400 3.814 20 0 EHADRM CCCCc1nc(CN[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)cs1 ZINC000905385415 981105190 /nfs/dbraw/zinc/10/51/90/981105190.db2.gz MBLZOJBLDQOMTB-MRXNPFEDSA-N -1 0 336.432 3.849 20 0 EHADRM CC[C@H]1CCC[C@@H]1CNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001595457279 981128851 /nfs/dbraw/zinc/12/88/51/981128851.db2.gz ULRDEKIEYYIUGN-UONOGXRCSA-N -1 0 332.444 3.997 20 0 EHADRM O=C([O-])c1cnc([C@@H]2CC[N@H+](Cc3cc(Cl)cs3)C2)s1 ZINC000905740397 981133558 /nfs/dbraw/zinc/13/35/58/981133558.db2.gz PBIYXRQQEJTODE-MRVPVSSYSA-N -1 0 328.846 3.546 20 0 EHADRM CC[C@@H]1CCN(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])[C@@H]1C ZINC001595460447 981144469 /nfs/dbraw/zinc/14/44/69/981144469.db2.gz WWAAWKWHANPQNX-IIAWOOMASA-N -1 0 332.444 3.669 20 0 EHADRM CN(C)c1cc(NCc2ccoc2C(=O)[O-])cc(C(F)(F)F)c1 ZINC000905770712 981147867 /nfs/dbraw/zinc/14/78/67/981147867.db2.gz PYXOYYNJVWVYMR-UHFFFAOYSA-N -1 0 328.290 3.675 20 0 EHADRM O=C([O-])c1ccc(N2CCC[C@H]2c2ccccc2C(F)(F)F)nn1 ZINC000906151960 981168532 /nfs/dbraw/zinc/16/85/32/981168532.db2.gz GVFGMUPBTOMAEX-ZDUSSCGKSA-N -1 0 337.301 3.535 20 0 EHADRM C[C@H](CC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)c1c[nH]c2ccccc21 ZINC000908036685 981256270 /nfs/dbraw/zinc/25/62/70/981256270.db2.gz WCLJOOMRNZGZRB-MLGOLLRUSA-N -1 0 330.428 3.667 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1ccsc1C(F)F)CC1CCCC1 ZINC000908293808 981298281 /nfs/dbraw/zinc/29/82/81/981298281.db2.gz WBJRLAXRVKJCEN-JTQLQIEISA-N -1 0 331.384 3.697 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)c2cnc3ccc(F)cc3c2)CCC1 ZINC000908334367 981301121 /nfs/dbraw/zinc/30/11/21/981301121.db2.gz LRYQFLFZTUTXQQ-UHFFFAOYSA-N -1 0 344.386 3.529 20 0 EHADRM Cc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccc(C(F)(F)F)cc2)co1 ZINC000908408499 981313150 /nfs/dbraw/zinc/31/31/50/981313150.db2.gz HYSJKYLTOIZZIJ-CYBMUJFWSA-N -1 0 341.285 3.553 20 0 EHADRM COc1c(NC(=O)CCc2ccc([C@@H]3C[C@@H]3C)o2)cccc1C(=O)[O-] ZINC000908506171 981319226 /nfs/dbraw/zinc/31/92/26/981319226.db2.gz AAUQZWIUAJKXNA-SMDDNHRTSA-N -1 0 343.379 3.681 20 0 EHADRM COc1c(NC(=O)COc2ccc(C(C)C)cc2)cccc1C(=O)[O-] ZINC000908508657 981320814 /nfs/dbraw/zinc/32/08/14/981320814.db2.gz WMPYAQSNRDLANU-UHFFFAOYSA-N -1 0 343.379 3.534 20 0 EHADRM CCCC(=CC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1)CCC ZINC001595520117 981335302 /nfs/dbraw/zinc/33/53/02/981335302.db2.gz BTKPMXQCZDBAHP-HXUWFJFHSA-N -1 0 329.440 3.768 20 0 EHADRM Cc1cc([C@H](C)NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c(C)s1 ZINC000908721180 981347987 /nfs/dbraw/zinc/34/79/87/981347987.db2.gz UZWRXWUEBPSXKR-KAMYHZANSA-N -1 0 335.469 3.967 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000908753629 981354025 /nfs/dbraw/zinc/35/40/25/981354025.db2.gz JPCRQQKAOUISDK-LBPRGKRZSA-N -1 0 331.368 3.564 20 0 EHADRM Cc1ccccc1[C@@H]1CCN(C(=O)c2ccccc2CCC(=O)[O-])C1 ZINC000908772384 981359152 /nfs/dbraw/zinc/35/91/52/981359152.db2.gz ZUQZHBTTZLEUHZ-QGZVFWFLSA-N -1 0 337.419 3.642 20 0 EHADRM C[C@H](CN(C)C(=O)C12CCC(C(=O)[O-])(CC1)CC2)c1ccccc1 ZINC000908776218 981360603 /nfs/dbraw/zinc/36/06/03/981360603.db2.gz ORZAPWSUKKPQDF-APMMTJHUSA-N -1 0 329.440 3.674 20 0 EHADRM CCCC(=O)Nc1cccc(CNc2nc(C(=O)[O-])c(C)s2)c1 ZINC001595531420 981366589 /nfs/dbraw/zinc/36/65/89/981366589.db2.gz HWIDYCNZBOYGIZ-UHFFFAOYSA-N -1 0 333.413 3.500 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000908816235 981367147 /nfs/dbraw/zinc/36/71/47/981367147.db2.gz BYSTXVVRHURSGR-LLVKDONJSA-N -1 0 335.787 3.643 20 0 EHADRM CCCC(=O)Nc1cccc(CN[C@@H](C)c2cc(C(=O)[O-])co2)c1 ZINC001595531651 981367787 /nfs/dbraw/zinc/36/77/87/981367787.db2.gz OQBRIRIVADXGOR-LBPRGKRZSA-N -1 0 330.384 3.567 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)C23CCC(C(=O)[O-])(CC2)C3)C1 ZINC000908820378 981368252 /nfs/dbraw/zinc/36/82/52/981368252.db2.gz MHJLQIBHEYLWGK-QIRGFQQVSA-N -1 0 341.451 3.735 20 0 EHADRM CC(C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12)=C1CCC1 ZINC000909070297 981412221 /nfs/dbraw/zinc/41/22/21/981412221.db2.gz GNAVDOWRWWJAFO-UHFFFAOYSA-N -1 0 325.364 3.742 20 0 EHADRM C/C(=C/C(C)(C)C)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000909135523 981425438 /nfs/dbraw/zinc/42/54/38/981425438.db2.gz BZDVSLKLJVZWAI-BENRWUELSA-N -1 0 340.423 3.743 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C)[C@H]2OCCc3sccc32)ccc1C(=O)[O-] ZINC000909222231 981435475 /nfs/dbraw/zinc/43/54/75/981435475.db2.gz DXYYSHRKINHXFA-MEDUHNTESA-N -1 0 345.420 3.643 20 0 EHADRM CCC[C@](C)(NC(=O)c1cccc(N[C@H](C)C(C)C)c1C)C(=O)[O-] ZINC001595554291 981435968 /nfs/dbraw/zinc/43/59/68/981435968.db2.gz YEDCAJWAEARYDK-KUHUBIRLSA-N -1 0 334.460 3.825 20 0 EHADRM CCc1c(C(=O)Nc2cc(C(=O)[O-])ccc2F)cnn1C1CCCC1 ZINC000909322301 981468100 /nfs/dbraw/zinc/46/81/00/981468100.db2.gz WHIGEHIQTAUKTJ-UHFFFAOYSA-N -1 0 345.374 3.650 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)CC[C@@H]2CCc3ccccc32)C1 ZINC000909486331 981506465 /nfs/dbraw/zinc/50/64/65/981506465.db2.gz FJYUJIPTACFIQW-IRXDYDNUSA-N -1 0 343.467 3.846 20 0 EHADRM CCC[C@H](CC1CCCC1)C(=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC001595587144 981539304 /nfs/dbraw/zinc/53/93/04/981539304.db2.gz CLPCZFDDFPGXKY-QGZVFWFLSA-N -1 0 347.455 3.876 20 0 EHADRM CCCC(CCC)C(=O)N(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001595587455 981541744 /nfs/dbraw/zinc/54/17/44/981541744.db2.gz NGUYASKEOQAUTI-HNNXBMFYSA-N -1 0 345.361 3.904 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CC=C(c2cccc(C)c2)CC1 ZINC000909560465 981542829 /nfs/dbraw/zinc/54/28/29/981542829.db2.gz UIUUDTDOVGKXLZ-UHFFFAOYSA-N -1 0 325.364 3.524 20 0 EHADRM CCC[C@H](NC(=O)N1CCc2ccc(C(=O)[O-])cc2C1)C(C)(C)C ZINC001595597743 981565244 /nfs/dbraw/zinc/56/52/44/981565244.db2.gz BPKKSSVCXLTOHN-INIZCTEOSA-N -1 0 332.444 3.667 20 0 EHADRM COc1cc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)ccc1Cl ZINC000909722287 981579119 /nfs/dbraw/zinc/57/91/19/981579119.db2.gz UNRALFWJAIAJOW-UHFFFAOYSA-N -1 0 337.803 3.712 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)C12CCC(C(=O)[O-])(CC1)C2)C(F)(F)F ZINC000909729162 981582903 /nfs/dbraw/zinc/58/29/03/981582903.db2.gz GYLTUEDFHOWHPJ-ISAOAKOHSA-N -1 0 335.366 3.505 20 0 EHADRM CN(C(=O)c1ccc(C(C)(C)C)s1)c1ccc(OCC(=O)[O-])cc1 ZINC000909785925 981621306 /nfs/dbraw/zinc/62/13/06/981621306.db2.gz FWNUUEHTIWUUPC-UHFFFAOYSA-N -1 0 347.436 3.786 20 0 EHADRM COCCC[C@H](C)C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000909788888 981625672 /nfs/dbraw/zinc/62/56/72/981625672.db2.gz XXYVCDVRSNWZCJ-KBXCAEBGSA-N -1 0 343.423 3.535 20 0 EHADRM CCC[C@@]1(C)CCCN(C(=O)N[C@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001595616449 981644058 /nfs/dbraw/zinc/64/40/58/981644058.db2.gz WIPVXUFNQUUPDC-BZNIZROVSA-N -1 0 339.461 3.514 20 0 EHADRM CCCC1(CCC)CCCN1C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001595617666 981656083 /nfs/dbraw/zinc/65/60/83/981656083.db2.gz VHWNWKGJBSKZIH-QXSJWSMHSA-N -1 0 336.476 3.630 20 0 EHADRM COc1cccc2c1[C@@H](C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1)CC2 ZINC000909836809 981657522 /nfs/dbraw/zinc/65/75/22/981657522.db2.gz SEUIACVTEOHLHC-LRDDRELGSA-N -1 0 339.391 3.552 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)NCC1(c2ccc(F)cc2Cl)CCCC1 ZINC001594753457 981660875 /nfs/dbraw/zinc/66/08/75/981660875.db2.gz TWCMVSDTUPUFGE-LBPRGKRZSA-N -1 0 341.810 3.518 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)CCCc2ccc(C3CC3)cc2)C1 ZINC000909841534 981663161 /nfs/dbraw/zinc/66/31/61/981663161.db2.gz IWYLSDHSFVJAHG-HXUWFJFHSA-N -1 0 329.440 3.600 20 0 EHADRM CCc1[nH]ccc1C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC000909846349 981671666 /nfs/dbraw/zinc/67/16/66/981671666.db2.gz DDDJNAPCMHDWFL-UHFFFAOYSA-N -1 0 341.411 3.518 20 0 EHADRM CCCC1=C(C(=O)[O-])[C@@H](c2ccc(C)s2)NC(=O)N1CC1CC1 ZINC001595619243 981674991 /nfs/dbraw/zinc/67/49/91/981674991.db2.gz WICCFIHWTOPBKV-OAHLLOKOSA-N -1 0 334.441 3.672 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N[C@H](C)c1cccc(OCc2ccccc2)c1 ZINC001594757720 981680486 /nfs/dbraw/zinc/68/04/86/981680486.db2.gz MNTOVHJPYBEVKC-KDOFPFPSSA-N -1 0 341.407 3.554 20 0 EHADRM CCC[C@@H]1C[C@H](C(=O)O[C@@H](C(=O)[O-])c2ccc(Cl)cc2)CCO1 ZINC001595620361 981688507 /nfs/dbraw/zinc/68/85/07/981688507.db2.gz FMRNQFMNKZSJON-BPLDGKMQSA-N -1 0 340.803 3.604 20 0 EHADRM C[C@@H](Oc1ccc(C(=O)NC2(CC(=O)[O-])CC2)cc1)c1ccccc1 ZINC000909900100 981699230 /nfs/dbraw/zinc/69/92/30/981699230.db2.gz JMBDPSRKIJMLIH-CQSZACIVSA-N -1 0 339.391 3.564 20 0 EHADRM CCC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001595621571 981700831 /nfs/dbraw/zinc/70/08/31/981700831.db2.gz LBGPLRAAUMVMSD-GXTWGEPZSA-N -1 0 334.416 3.874 20 0 EHADRM CCC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001595622642 981712829 /nfs/dbraw/zinc/71/28/29/981712829.db2.gz UXXQMKIVNPDIJU-WBMJQRKESA-N -1 0 336.407 3.682 20 0 EHADRM CCCC1CCN(C(=O)c2ccccc2S[C@@H](C)C(=O)[O-])CC1 ZINC001595623429 981721336 /nfs/dbraw/zinc/72/13/36/981721336.db2.gz NVJJFUYDIJFEOH-ZDUSSCGKSA-N -1 0 335.469 3.904 20 0 EHADRM Cc1cccc([C@H]2CCN(C(=O)C34CCC(C(=O)[O-])(CC3)CC4)C2)c1 ZINC000910013376 981734745 /nfs/dbraw/zinc/73/47/45/981734745.db2.gz HTJAASUAIRFXRP-RPCJCACASA-N -1 0 341.451 3.736 20 0 EHADRM CC(C)(CC(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1)CC(F)F ZINC000910099126 981758818 /nfs/dbraw/zinc/75/88/18/981758818.db2.gz QKFONBXRNGJFBW-KBPBESRZSA-N -1 0 339.382 3.875 20 0 EHADRM CC[C@H](C(=O)O[C@H](C(=O)[O-])c1ccccc1F)c1ccc(F)cc1 ZINC001594775806 981762020 /nfs/dbraw/zinc/76/20/20/981762020.db2.gz WPZPNMXTVSGZBQ-BBRMVZONSA-N -1 0 334.318 3.828 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)/C(C)=C/c1ccc(C)cc1 ZINC001594778218 981773569 /nfs/dbraw/zinc/77/35/69/981773569.db2.gz LDIVEQZUZYZYSM-IZLCOFNUSA-N -1 0 329.440 3.890 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)/C=C(\C)c1cccc(OC)c1 ZINC001594780822 981785063 /nfs/dbraw/zinc/78/50/63/981785063.db2.gz HUYBGRWDRMDRHU-IXDOJHRFSA-N -1 0 345.439 3.590 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3CC[C@H](c4ccc(Cl)cc4)C3)(CC1)C2 ZINC000910241392 981808672 /nfs/dbraw/zinc/80/86/72/981808672.db2.gz APTMWRQJVLLISO-YCMKEVRSSA-N -1 0 347.842 3.691 20 0 EHADRM CS[C@H](C)CC(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000910254517 981831569 /nfs/dbraw/zinc/83/15/69/981831569.db2.gz YIJYPNZQQNJUGU-MRVPVSSYSA-N -1 0 346.246 3.536 20 0 EHADRM CCCC[C@@H](CC)C(=O)N[C@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC001595631952 981847509 /nfs/dbraw/zinc/84/75/09/981847509.db2.gz LOZCTXUTDXBKHV-ABAIWWIYSA-N -1 0 341.835 3.807 20 0 EHADRM CCCC[C@@H](CCC)CNC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001595632853 981862175 /nfs/dbraw/zinc/86/21/75/981862175.db2.gz TYWBRZHKUOYFPS-CYBMUJFWSA-N -1 0 338.423 3.930 20 0 EHADRM CCC(C)(C)C1CCC(CC(=O)N[C@](C)(CCF)C(=O)[O-])CC1 ZINC001594796728 981880521 /nfs/dbraw/zinc/88/05/21/981880521.db2.gz JMJSKQSKYZDJOE-WTNGLUPJSA-N -1 0 329.456 3.938 20 0 EHADRM CCCC[C@H](NC(=O)C1(c2ccccc2OC)CCCCC1)C(=O)[O-] ZINC001595634293 981885623 /nfs/dbraw/zinc/88/56/23/981885623.db2.gz DANYYWXJBQXZEN-INIZCTEOSA-N -1 0 347.455 3.657 20 0 EHADRM CCC(C)(C)CCSc1nc2ccccc2c(=O)n1CCC(=O)[O-] ZINC001594801054 981893977 /nfs/dbraw/zinc/89/39/77/981893977.db2.gz YMPKNVKMBZEGIK-UHFFFAOYSA-N -1 0 348.468 3.790 20 0 EHADRM CCCC[C@H](NC(=O)Cn1cc(C(=O)[O-])c2ccccc21)C1CCC1 ZINC001595635651 981906302 /nfs/dbraw/zinc/90/63/02/981906302.db2.gz DXPBESQKDSHSCG-KRWDZBQOSA-N -1 0 342.439 3.815 20 0 EHADRM C[C@H](CN(C)C(=O)c1[nH]c2ccccc2c1CC(=O)[O-])C(C)(C)C ZINC000910384329 981908996 /nfs/dbraw/zinc/90/89/96/981908996.db2.gz HGPYGUDRJYSZBT-GFCCVEGCSA-N -1 0 330.428 3.549 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)NCC[C@H]2CCCC2(F)F)c1 ZINC000910407097 981919523 /nfs/dbraw/zinc/91/95/23/981919523.db2.gz GESNJKXKNCNEKD-SNVBAGLBSA-N -1 0 331.746 3.594 20 0 EHADRM CCC(C)(C)c1ccc(CNC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC001594814240 981936947 /nfs/dbraw/zinc/93/69/47/981936947.db2.gz KEVRYVLMLKWVLT-ZRDIBKRKSA-N -1 0 341.407 3.995 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CC1CCC(C(F)(F)F)CC1)C1CCCC1 ZINC000910562391 981991469 /nfs/dbraw/zinc/99/14/69/981991469.db2.gz FZHZWHKPHKQKIJ-UBHUBRDASA-N -1 0 349.393 3.895 20 0 EHADRM CCCC[C@@H](O)CCC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001595646631 982000747 /nfs/dbraw/zinc/00/07/47/982000747.db2.gz SEPNDQSVDKJKGX-GFCCVEGCSA-N -1 0 335.425 3.869 20 0 EHADRM CCCC[C@@H](S[C@H](C)C(=O)Nc1cc(F)ccc1C)C(=O)[O-] ZINC001595651610 982023904 /nfs/dbraw/zinc/02/39/04/982023904.db2.gz IMCGQNATEIRRIJ-BXUZGUMPSA-N -1 0 327.421 3.838 20 0 EHADRM CC(C)(C)c1csc(NC(=O)CCc2ccccc2C(=O)[O-])n1 ZINC000910631173 982034112 /nfs/dbraw/zinc/03/41/12/982034112.db2.gz UKFPCEMBOQUKIR-UHFFFAOYSA-N -1 0 332.425 3.710 20 0 EHADRM Cc1c(NC(=O)CC2(CC(=O)[O-])CCCC2)cnn1-c1ccccc1 ZINC000910648470 982040719 /nfs/dbraw/zinc/04/07/19/982040719.db2.gz JOHPZWSZKYOSBF-UHFFFAOYSA-N -1 0 341.411 3.544 20 0 EHADRM CCc1c(NC(=O)c2c([O-])cc(F)cc2F)cnn1CCC(C)C ZINC000683183441 1014793822 /nfs/dbraw/zinc/79/38/22/1014793822.db2.gz XLGYXEPDHNQYOH-UHFFFAOYSA-N -1 0 337.370 3.728 20 0 EHADRM CC(C)Cn1ncc(NC(=O)CC2(CC(=O)[O-])CCCC2)c1C1CC1 ZINC000910666668 982047571 /nfs/dbraw/zinc/04/75/71/982047571.db2.gz YRDFTZCUKVHJRR-UHFFFAOYSA-N -1 0 347.459 3.780 20 0 EHADRM CCCC[C@@H](SCC(=O)N(C)Cc1ccc(Cl)s1)C(=O)[O-] ZINC001595656416 982052884 /nfs/dbraw/zinc/05/28/84/982052884.db2.gz YFEPZZWEQYUSRL-LLVKDONJSA-N -1 0 349.905 3.737 20 0 EHADRM CCCC[C@H](SCC(=O)N(C)Cc1ccc(Cl)s1)C(=O)[O-] ZINC001595656419 982053211 /nfs/dbraw/zinc/05/32/11/982053211.db2.gz YFEPZZWEQYUSRL-NSHDSACASA-N -1 0 349.905 3.737 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1)C1CC1 ZINC001594841357 982053251 /nfs/dbraw/zinc/05/32/51/982053251.db2.gz DUYWRRMQKCUMGI-OAHLLOKOSA-N -1 0 328.771 3.878 20 0 EHADRM CCCCC1(C(=O)N2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)CC1 ZINC001595656718 982055069 /nfs/dbraw/zinc/05/50/69/982055069.db2.gz FSJFCDNZSPSTPY-GFCCVEGCSA-N -1 0 336.457 3.518 20 0 EHADRM O=C([O-])[C@H]1CCc2sc(NC(=O)c3sccc3C3CC3)nc2C1 ZINC000910680111 982055752 /nfs/dbraw/zinc/05/57/52/982055752.db2.gz NAIQACZUOYOKHO-VIFPVBQESA-N -1 0 348.449 3.524 20 0 EHADRM CC(C)c1sc(NC(=O)C(C)(C)c2ccccc2)nc1C(=O)[O-] ZINC000910696574 982068290 /nfs/dbraw/zinc/06/82/90/982068290.db2.gz HVPMISYXHBIIOL-UHFFFAOYSA-N -1 0 332.425 3.881 20 0 EHADRM CCCCC1CCC(C(=O)N[C@](C)(CC(=O)[O-])c2ccncc2)CC1 ZINC001595660535 982071129 /nfs/dbraw/zinc/07/11/29/982071129.db2.gz IDOWSMYOLVGGRD-ALLBUHFWSA-N -1 0 346.471 3.884 20 0 EHADRM CCc1ccc(F)cc1C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC000910705099 982074725 /nfs/dbraw/zinc/07/47/25/982074725.db2.gz BSODMADZLBUGMV-UHFFFAOYSA-N -1 0 336.388 3.919 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)C2CCC3(CC3)CC2)nc1C(=O)[O-] ZINC000910717108 982078928 /nfs/dbraw/zinc/07/89/28/982078928.db2.gz BWMIRGHSEMWQOV-ZDUSSCGKSA-N -1 0 348.468 3.784 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)c2ccc(F)cc2C)nc1C(=O)[O-] ZINC000910726057 982089271 /nfs/dbraw/zinc/08/92/71/982089271.db2.gz BXVJOSXSMJSBCC-ZDUSSCGKSA-N -1 0 348.399 3.575 20 0 EHADRM CCCCC[C@@H](C)CC(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2 ZINC001595666192 982097265 /nfs/dbraw/zinc/09/72/65/982097265.db2.gz FBHJLLWPPNVIAA-NEPJUHHUSA-N -1 0 338.473 3.878 20 0 EHADRM CCCCC[C@@H](C)CC(=O)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001595666829 982107397 /nfs/dbraw/zinc/10/73/97/982107397.db2.gz UCAIBSNMINRJGY-FHLIZLRMSA-N -1 0 347.455 3.625 20 0 EHADRM CCCCC[C@@H](NC(=O)CCc1ccc(F)c2c1CCCC2)C(=O)[O-] ZINC001595672072 982129581 /nfs/dbraw/zinc/12/95/81/982129581.db2.gz KOKGCYFOMFXMSZ-GOSISDBHSA-N -1 0 349.446 3.787 20 0 EHADRM CC(C)(CNC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21)CC(=O)[O-] ZINC000910822943 982140240 /nfs/dbraw/zinc/14/02/40/982140240.db2.gz MZEDDGNLAJNUDB-SJORKVTESA-N -1 0 325.408 3.560 20 0 EHADRM CCCCC[C@@H](NC(=O)c1csc(Br)c1C)C(=O)[O-] ZINC001595682026 982166077 /nfs/dbraw/zinc/16/60/77/982166077.db2.gz XIRQJWYPDJHADL-SNVBAGLBSA-N -1 0 348.262 3.582 20 0 EHADRM Cc1cc(C(=O)N(Cc2cccc(F)c2)C2CCC2)oc1C(=O)[O-] ZINC000910952534 982175294 /nfs/dbraw/zinc/17/52/94/982175294.db2.gz WXDTUIGUICDRNS-UHFFFAOYSA-N -1 0 331.343 3.620 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)CCc1ccc(OC)cc1 ZINC000910962676 982179887 /nfs/dbraw/zinc/17/98/87/982179887.db2.gz SORFIMLZCZTRES-UHFFFAOYSA-N -1 0 327.380 3.527 20 0 EHADRM CCCCCC[C@H](CC)CN(C)C(=O)Nc1nn(C)cc1C(=O)[O-] ZINC001595699549 982258834 /nfs/dbraw/zinc/25/88/34/982258834.db2.gz ZLVYUDDROJQMGZ-ZDUSSCGKSA-N -1 0 338.452 3.579 20 0 EHADRM CC[C@@H](C)[C@H](CNc1ccc(N2CCCCC2)c(C(=O)[O-])c1)OC ZINC001594884311 982262087 /nfs/dbraw/zinc/26/20/87/982262087.db2.gz PNQXZKUNUFSYNY-KDOFPFPSSA-N -1 0 334.460 3.848 20 0 EHADRM CCCCCCN(Cc1ccc(C)o1)C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001595708762 982286773 /nfs/dbraw/zinc/28/67/73/982286773.db2.gz GLKCSQYMAFEQRH-INIZCTEOSA-N -1 0 348.443 3.853 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1ccc(N2CCC(C)CC2)cc1 ZINC000911233666 982304623 /nfs/dbraw/zinc/30/46/23/982304623.db2.gz HWMZOCNUDLIBPL-UHFFFAOYSA-N -1 0 342.395 3.775 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCCC[C@@H]2c2ccncc2)c(F)c1 ZINC000911233663 982304984 /nfs/dbraw/zinc/30/49/84/982304984.db2.gz HOPANFHWTUOZFV-QGZVFWFLSA-N -1 0 342.370 3.676 20 0 EHADRM CCCCCN(CCCOC)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001595716265 982320585 /nfs/dbraw/zinc/32/05/85/982320585.db2.gz UXJOYVIAQFDSOH-UHFFFAOYSA-N -1 0 336.432 3.754 20 0 EHADRM CC(C)(C)OCCNC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000911295206 982330242 /nfs/dbraw/zinc/33/02/42/982330242.db2.gz QGMJNEOAQMNWJS-UHFFFAOYSA-N -1 0 341.407 3.597 20 0 EHADRM CCCCCOc1ccc(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)cc1 ZINC001595720460 982330594 /nfs/dbraw/zinc/33/05/94/982330594.db2.gz BAPKPFRHTGIRMT-ZBFHGGJFSA-N -1 0 333.428 3.629 20 0 EHADRM CCCCN(C(=O)c1cc(C(=O)[O-])ccc1Cl)c1cccnc1 ZINC001595732123 982367189 /nfs/dbraw/zinc/36/71/89/982367189.db2.gz OJQUJVNBZSKKAM-UHFFFAOYSA-N -1 0 332.787 3.880 20 0 EHADRM CCCCN(C)c1ccc(C(=O)Oc2cccc(C(=O)[O-])c2)cc1 ZINC001595740534 982397459 /nfs/dbraw/zinc/39/74/59/982397459.db2.gz QMRUITSTNMECET-UHFFFAOYSA-N -1 0 327.380 3.840 20 0 EHADRM O=C([O-])C1(C(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)CC2(CCC2)C1 ZINC000911389685 982413619 /nfs/dbraw/zinc/41/36/19/982413619.db2.gz JHKHFXVKVUXQOI-NWDGAFQWSA-N -1 0 347.377 3.506 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)c1cc2c(s1)-c1ccccc1CC2)C(=O)[O-] ZINC001594912141 982420267 /nfs/dbraw/zinc/42/02/67/982420267.db2.gz NPEDZYXSLXALNA-BZNIZROVSA-N -1 0 343.448 3.743 20 0 EHADRM CCCCO[C@@H]1C[C@H](N(C)[C@H](C)c2ncc(C(=O)[O-])s2)C1(C)C ZINC001595770329 982507469 /nfs/dbraw/zinc/50/74/69/982507469.db2.gz GRQMTVXMORHACG-KWCYVHTRSA-N -1 0 340.489 3.818 20 0 EHADRM CC1(CC(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)CCCC1 ZINC000911597982 982529790 /nfs/dbraw/zinc/52/97/90/982529790.db2.gz MUUGWQWLJLHCMR-UHFFFAOYSA-N -1 0 344.455 3.758 20 0 EHADRM CC[C@H](C)[C@@H](Sc1nnc(COc2ccc(C)cc2)o1)C(=O)[O-] ZINC001594928661 982540586 /nfs/dbraw/zinc/54/05/86/982540586.db2.gz LMZIKMBKVVVVJM-SMDDNHRTSA-N -1 0 336.413 3.548 20 0 EHADRM CC[C@H](C)[C@@H](Sc1nc(-c2ccccc2)c(C)c(=O)[nH]1)C(=O)[O-] ZINC001594928787 982542834 /nfs/dbraw/zinc/54/28/34/982542834.db2.gz MTBTUAQNHPMPMD-IINYFYTJSA-N -1 0 332.425 3.749 20 0 EHADRM CC[C@@H](C)[C@@H](OC)C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC001594930678 982554948 /nfs/dbraw/zinc/55/49/48/982554948.db2.gz ZGIXSZUINMKUFZ-QMTHXVAHSA-N -1 0 339.457 3.715 20 0 EHADRM CC[C@@H](C)CC(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC001594930727 982555863 /nfs/dbraw/zinc/55/58/63/982555863.db2.gz AKSFPGCQMHCUHX-RHSMWYFYSA-N -1 0 327.424 3.636 20 0 EHADRM CCCCSc1ccc(Cl)cc1C(=O)N[C@H](CC)C(=O)[O-] ZINC001595791898 982590784 /nfs/dbraw/zinc/59/07/84/982590784.db2.gz JYYMMYSHIYZEGN-GFCCVEGCSA-N -1 0 329.849 3.825 20 0 EHADRM C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000911675282 982599509 /nfs/dbraw/zinc/59/95/09/982599509.db2.gz AUAQOAVGLTXWJK-KWQFWETISA-N -1 0 349.736 3.841 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)CCOc1cc(C)ccc1C(C)C)C(=O)[O-] ZINC001594937928 982603434 /nfs/dbraw/zinc/60/34/34/982603434.db2.gz BOHSTYVIDYKOEU-PBHICJAKSA-N -1 0 349.471 3.893 20 0 EHADRM CC[C@H](CC(=O)N[C@H](C[C@@H](C)CC)C(=O)[O-])c1ccc(OC)cc1 ZINC001594937921 982603580 /nfs/dbraw/zinc/60/35/80/982603580.db2.gz BAEZSVWWNLNSSD-JJRVBVJISA-N -1 0 335.444 3.585 20 0 EHADRM CCCCc1nc(C)c(CC(=O)Nc2ccc(C(=O)[O-])cc2C)s1 ZINC001595797294 982605854 /nfs/dbraw/zinc/60/58/54/982605854.db2.gz LYOUEJWUNDDWBJ-UHFFFAOYSA-N -1 0 346.452 3.982 20 0 EHADRM CCCCc1nc(COC(=O)c2ccc(/C=C\C(=O)[O-])o2)cs1 ZINC001595799218 982613056 /nfs/dbraw/zinc/61/30/56/982613056.db2.gz PIURRPHMAQRFGF-VURMDHGXSA-N -1 0 335.381 3.534 20 0 EHADRM CCC[C@@H](C(=O)NCc1ccc(C(=O)[O-])cn1)c1cccc(Cl)c1 ZINC000911727822 982614759 /nfs/dbraw/zinc/61/47/59/982614759.db2.gz IMCCJHWQAHJSBK-MRXNPFEDSA-N -1 0 346.814 3.633 20 0 EHADRM CCCc1ncc(C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)s1 ZINC000911739626 982622117 /nfs/dbraw/zinc/62/21/17/982622117.db2.gz WENNKFYHGIVOLB-UHFFFAOYSA-N -1 0 348.424 3.833 20 0 EHADRM O=C([O-])c1coc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c1 ZINC000911742696 982624840 /nfs/dbraw/zinc/62/48/40/982624840.db2.gz MRPKZLFKAUZZJS-RBVVOMGSSA-N -1 0 325.364 3.529 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)c1ccc(OCCC(C)C)cc1)C(=O)[O-] ZINC001594945531 982633560 /nfs/dbraw/zinc/63/35/60/982633560.db2.gz BSCQGMQMIPUYHH-PBHICJAKSA-N -1 0 335.444 3.731 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)c1cc(Cl)cc2ccc(C)nc21)C(=O)[O-] ZINC001594946083 982638964 /nfs/dbraw/zinc/63/89/64/982638964.db2.gz WOSXDWIIBWUOIB-ZUZCIYMTSA-N -1 0 348.830 3.816 20 0 EHADRM O=C([O-])c1cc(NC(=O)C2(c3ccc(F)cc3)CCC2)ccc1F ZINC000914729351 982654268 /nfs/dbraw/zinc/65/42/68/982654268.db2.gz PPNRVIRIZYZENF-UHFFFAOYSA-N -1 0 331.318 3.723 20 0 EHADRM CC[C@H](C)CCCCC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001594958933 982701716 /nfs/dbraw/zinc/70/17/16/982701716.db2.gz IGQDBFNWQBJTMJ-LBPRGKRZSA-N -1 0 335.400 3.716 20 0 EHADRM CC[C@H](C)CCCCC(=O)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001594959586 982708775 /nfs/dbraw/zinc/70/87/75/982708775.db2.gz YOTLCOLLUYKPTD-JCGIZDLHSA-N -1 0 347.455 3.625 20 0 EHADRM CCCN(C(=O)c1ccc(Oc2ccc(C)cn2)cc1)[C@H](C)C(=O)[O-] ZINC001595827264 982712066 /nfs/dbraw/zinc/71/20/66/982712066.db2.gz OKRPCSIORFIKDA-CQSZACIVSA-N -1 0 342.395 3.508 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)[C@H](C)OCc1cccc(C)c1 ZINC000923093720 982718890 /nfs/dbraw/zinc/71/88/90/982718890.db2.gz WBDAOBSEAOGPHS-NSHDSACASA-N -1 0 333.409 3.607 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000923095032 982719439 /nfs/dbraw/zinc/71/94/39/982719439.db2.gz PHDSEUGDUAWEFF-SCLBCKFNSA-N -1 0 327.405 3.597 20 0 EHADRM CCCN(C(=O)c1oc(C(=O)[O-])cc1C)[C@H]1CCc2ccccc2C1 ZINC001595831392 982722439 /nfs/dbraw/zinc/72/24/39/982722439.db2.gz KARVGTNFRMJOMG-INIZCTEOSA-N -1 0 341.407 3.696 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)CC(C)(C)CC(=O)c1ccc(C)cc1 ZINC001594970960 982738901 /nfs/dbraw/zinc/73/89/01/982738901.db2.gz BPNSBNQLCRYPOJ-HNNXBMFYSA-N -1 0 347.455 3.696 20 0 EHADRM CCCN(C)c1ccc(C(=O)NC2(C(=O)[O-])CCC(CC)CC2)cc1 ZINC001595839980 982757890 /nfs/dbraw/zinc/75/78/90/982757890.db2.gz MOEXEMHQKGFUHZ-UHFFFAOYSA-N -1 0 346.471 3.686 20 0 EHADRM Cc1ccc2cc(Cl)cc(C(=O)N3CC[C@@H](C(=O)[O-])C[C@H]3C)c2n1 ZINC000923153659 982768091 /nfs/dbraw/zinc/76/80/91/982768091.db2.gz UPBHMTZDIKAHQU-DGCLKSJQSA-N -1 0 346.814 3.522 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)C1CCC(F)(F)CC1)C1CCCCCC1 ZINC000923176554 982825921 /nfs/dbraw/zinc/82/59/21/982825921.db2.gz PKWRHMXKYLWMAF-AWEZNQCLSA-N -1 0 331.403 3.599 20 0 EHADRM CCCN(CC)c1ccc(C(=O)NCC2(CC(=O)[O-])CCCC2)cc1 ZINC001595868967 982843899 /nfs/dbraw/zinc/84/38/99/982843899.db2.gz ISQNPDMEBMLOCT-UHFFFAOYSA-N -1 0 346.471 3.688 20 0 EHADRM CCCN(Cc1ccc(C)cc1)C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001595887825 982916412 /nfs/dbraw/zinc/91/64/12/982916412.db2.gz FAWQVSFJEKCWHJ-UHFFFAOYSA-N -1 0 329.371 3.885 20 0 EHADRM CC[C@@H](C)Oc1ccc(N[C@H]2CCCn3nc(C(=O)[O-])cc32)cc1 ZINC001595009333 982934503 /nfs/dbraw/zinc/93/45/03/982934503.db2.gz VSFYMZMXYXIJAH-DOMZBBRYSA-N -1 0 329.400 3.706 20 0 EHADRM CC[C@H](C)Oc1ccc(N[C@H]2CCCn3nc(C(=O)[O-])cc32)cc1 ZINC001595009338 982934585 /nfs/dbraw/zinc/93/45/85/982934585.db2.gz VSFYMZMXYXIJAH-WFASDCNBSA-N -1 0 329.400 3.706 20 0 EHADRM CC[C@@H](C)c1ccc([C@H](NC(=O)CC(=O)[O-])c2cccs2)cc1 ZINC001595009906 982937685 /nfs/dbraw/zinc/93/76/85/982937685.db2.gz LCTKDEJUZJJQPE-XIKOKIGWSA-N -1 0 331.437 3.942 20 0 EHADRM C[S@](=O)(=NC(=O)c1cc2c(cc1[O-])CCCC2)c1ccccc1 ZINC000925957702 1014908232 /nfs/dbraw/zinc/90/82/32/1014908232.db2.gz XRYULCRAKXZNPW-HSZRJFAPSA-N -1 0 329.421 3.568 20 0 EHADRM CCCOc1cc(C)ccc1NC(=O)NC1(CC(=O)[O-])CCCC1 ZINC001595950439 983121409 /nfs/dbraw/zinc/12/14/09/983121409.db2.gz SSKZKWUUWPIQJG-UHFFFAOYSA-N -1 0 334.416 3.693 20 0 EHADRM CCCOc1cc(OC)ccc1C(=O)Nc1sc(C)cc1C(=O)[O-] ZINC001595952782 983130143 /nfs/dbraw/zinc/13/01/43/983130143.db2.gz VJWIESCWSFOKQQ-UHFFFAOYSA-N -1 0 349.408 3.804 20 0 EHADRM CCCOc1ccc(C(C)(C)NC(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC001595954873 983141650 /nfs/dbraw/zinc/14/16/50/983141650.db2.gz QKROODKEGRFJHF-UHFFFAOYSA-N -1 0 347.436 3.900 20 0 EHADRM CCCOc1ccc(COC(=O)c2cc(F)cc(C(=O)[O-])c2)c(C)c1 ZINC001595960376 983150292 /nfs/dbraw/zinc/15/02/92/983150292.db2.gz BJFHDSUUOJJTSX-UHFFFAOYSA-N -1 0 346.354 3.978 20 0 EHADRM CCCOc1ccc(COC(=O)c2ccsc2C(=O)[O-])c(C)c1 ZINC001595961351 983159271 /nfs/dbraw/zinc/15/92/71/983159271.db2.gz XZETZWGICIAGSQ-UHFFFAOYSA-N -1 0 334.393 3.901 20 0 EHADRM CCCOc1ccc(OC(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC001595966997 983176695 /nfs/dbraw/zinc/17/66/95/983176695.db2.gz ZEXSHERBVRUCMQ-UHFFFAOYSA-N -1 0 328.364 3.712 20 0 EHADRM CCCOc1cccc(CC(=O)N(CC2CC2)[C@](C)(CC)C(=O)[O-])c1 ZINC001595967418 983181496 /nfs/dbraw/zinc/18/14/96/983181496.db2.gz VMWJGSJBDPICHJ-HXUWFJFHSA-N -1 0 347.455 3.510 20 0 EHADRM CCCOc1nc(C)ccc1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001595975539 983212400 /nfs/dbraw/zinc/21/24/00/983212400.db2.gz KKJOSZNNPSBULP-UHFFFAOYSA-N -1 0 348.786 3.783 20 0 EHADRM CCCc1c(C(=O)N2Cc3ccc(Cl)cc3C2)[nH]c(C)c1C(=O)[O-] ZINC001596036006 983311224 /nfs/dbraw/zinc/31/12/24/983311224.db2.gz AMPVJMBSLCXVMD-UHFFFAOYSA-N -1 0 346.814 3.783 20 0 EHADRM CCCc1c(C(=O)Nc2ccc3oc(C)nc3c2)[nH]c(C)c1C(=O)[O-] ZINC001596045325 983332363 /nfs/dbraw/zinc/33/23/63/983332363.db2.gz KMNJRTJPKHLNDR-UHFFFAOYSA-N -1 0 341.367 3.676 20 0 EHADRM CCCc1c(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)[nH]c(C)c1C(C)=O ZINC001596047497 983342809 /nfs/dbraw/zinc/34/28/09/983342809.db2.gz XZQADIPKOMAQPC-NSHDSACASA-N -1 0 347.367 3.687 20 0 EHADRM CCCc1cc(C(=O)OCc2nc(C(=O)[O-])cs2)sc1C ZINC001596056728 983360309 /nfs/dbraw/zinc/36/03/09/983360309.db2.gz CJTCPVSGNXDFMX-UHFFFAOYSA-N -1 0 325.411 3.521 20 0 EHADRM CCCc1cc(=O)[nH]c(SCc2ccc(C(=O)[O-])c(Cl)c2)n1 ZINC001596058778 983366256 /nfs/dbraw/zinc/36/62/56/983366256.db2.gz QVBZAYGIBBIENC-UHFFFAOYSA-N -1 0 338.816 3.779 20 0 EHADRM CCCc1nc(C)c(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)o1 ZINC001596082346 983400018 /nfs/dbraw/zinc/40/00/18/983400018.db2.gz UXEDFLXXCWISAK-UHFFFAOYSA-N -1 0 346.383 3.673 20 0 EHADRM CCCc1cnc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC001596082578 983401323 /nfs/dbraw/zinc/40/13/23/983401323.db2.gz RVNCBKRPIYFIFV-KGLIPLIRSA-N -1 0 345.424 3.530 20 0 EHADRM CCCc1nsc(N[C@@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])n1 ZINC001596102572 983427477 /nfs/dbraw/zinc/42/74/77/983427477.db2.gz HMJGVDHRZPAHHU-HIFRSBDPSA-N -1 0 345.468 3.866 20 0 EHADRM CCCn1ccc2cc(NC(=O)Nc3cc(C(=O)[O-])ccn3)ccc21 ZINC001596116206 983446825 /nfs/dbraw/zinc/44/68/25/983446825.db2.gz VSCWMFLORCDUQZ-UHFFFAOYSA-N -1 0 338.367 3.789 20 0 EHADRM CCN(C(=O)COC[C@@H](C)c1ccccc1)c1ccccc1C(=O)[O-] ZINC001596145379 983500667 /nfs/dbraw/zinc/50/06/67/983500667.db2.gz HMQXIERNLLOSGC-OAHLLOKOSA-N -1 0 341.407 3.558 20 0 EHADRM CCN(C(=O)Cc1csc2cc(C)sc12)C(C)(C)C(=O)[O-] ZINC001596147943 983503557 /nfs/dbraw/zinc/50/35/57/983503557.db2.gz LHSPAPQRISNEKP-UHFFFAOYSA-N -1 0 325.455 3.525 20 0 EHADRM CCN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[C@@H](C)c1cc2ccccc2o1 ZINC001596149421 983508237 /nfs/dbraw/zinc/50/82/37/983508237.db2.gz VDXFGRBJGSRFKS-CFVMTHIKSA-N -1 0 344.411 3.779 20 0 EHADRM CCN(C(=O)Nc1ccc(CCC(=O)[O-])cc1)[C@@H]1CCOC(C)(C)C1 ZINC001596158695 983521650 /nfs/dbraw/zinc/52/16/50/983521650.db2.gz RSVUIDNCEAELJL-MRXNPFEDSA-N -1 0 348.443 3.515 20 0 EHADRM CCN(C(=O)c1cc(-c2ccccn2)ccc1Cl)C(C)(C)C(=O)[O-] ZINC001596160564 983523792 /nfs/dbraw/zinc/52/37/92/983523792.db2.gz DMBHEENUILCYMY-UHFFFAOYSA-N -1 0 346.814 3.727 20 0 EHADRM CCN(C(=O)c1cc(C(F)(F)F)ccc1Cl)C(C)(C)C(=O)[O-] ZINC001596164145 983526126 /nfs/dbraw/zinc/52/61/26/983526126.db2.gz DVICONOIYYJDDU-UHFFFAOYSA-N -1 0 337.725 3.684 20 0 EHADRM CCN(C(=O)c1ccc(Cl)c(OC)c1)c1ccccc1C(=O)[O-] ZINC001596167552 983533115 /nfs/dbraw/zinc/53/31/15/983533115.db2.gz WIFBIHOECBMRPE-UHFFFAOYSA-N -1 0 333.771 3.714 20 0 EHADRM CCN(CC1CCC1)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001596294271 983715185 /nfs/dbraw/zinc/71/51/85/983715185.db2.gz MTFQTPSYNTVVSV-MRXNPFEDSA-N -1 0 332.444 3.670 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC001596307738 983736526 /nfs/dbraw/zinc/73/65/26/983736526.db2.gz SYQICMHVTLDMOY-UHFFFAOYSA-N -1 0 349.471 3.924 20 0 EHADRM CCN(CCOc1ccc(/C=C\C(=O)[O-])cc1)c1cccc(OC)c1 ZINC001596345848 983794733 /nfs/dbraw/zinc/79/47/33/983794733.db2.gz WNUDEDSWIWJKDI-XFXZXTDPSA-N -1 0 341.407 3.698 20 0 EHADRM CCN(Cc1nc2cc(C(=O)[O-])ccc2[nH]1)Cc1ccc(Cl)cc1 ZINC001596359404 983834170 /nfs/dbraw/zinc/83/41/70/983834170.db2.gz HPSGDHURVMXFOH-UHFFFAOYSA-N -1 0 343.814 3.937 20 0 EHADRM C=C/C(C)=C/CC(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC001588684236 983856860 /nfs/dbraw/zinc/85/68/60/983856860.db2.gz NRLIZXWUAXEFAV-WEVVVXLNSA-N -1 0 338.201 3.917 20 0 EHADRM CCOC(=O)C1CCC(S[C@H](C(=O)[O-])c2ccccc2F)CC1 ZINC001596570954 984465903 /nfs/dbraw/zinc/46/59/03/984465903.db2.gz WTOQDAONFGFIOM-QOZQQMKHSA-N -1 0 340.416 3.807 20 0 EHADRM CCOC(=O)C[C@@H](C)SCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001596592483 984529398 /nfs/dbraw/zinc/52/93/98/984529398.db2.gz KKJKUKLKWJGQCY-LLVKDONJSA-N -1 0 349.408 3.615 20 0 EHADRM O=C(Nc1cccc(-c2nc3cc(F)ccc3c(=O)[nH]2)c1)c1ccco1 ZINC000339571470 1015044622 /nfs/dbraw/zinc/04/46/22/1015044622.db2.gz JKRWQQLWOWKLQF-UHFFFAOYSA-N -1 0 349.321 3.987 20 0 EHADRM CCOC(=O)CN(Cc1cc(C(=O)[O-])cs1)[C@@H](C)c1ccccc1 ZINC001596622257 984598807 /nfs/dbraw/zinc/59/88/07/984598807.db2.gz NVCKABQRXRGDHZ-ZDUSSCGKSA-N -1 0 347.436 3.573 20 0 EHADRM C/C(=C/C(=O)NC[C@H](C(=O)[O-])C1CCCCC1)c1ccc(F)cc1 ZINC001588938964 984625830 /nfs/dbraw/zinc/62/58/30/984625830.db2.gz OJQKPBUXNZAXKD-MOJYJUKOSA-N -1 0 333.403 3.626 20 0 EHADRM C/C(=C/C(=O)N[C@@H](CC(=O)[O-])C1CCCC1)c1cccc(Cl)c1 ZINC001588939895 984631941 /nfs/dbraw/zinc/63/19/41/984631941.db2.gz UZRVSFUFGRYNDX-CKDIWJPDSA-N -1 0 335.831 3.893 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1ccc(C(C)(F)F)cc1 ZINC001599888741 984669191 /nfs/dbraw/zinc/66/91/91/984669191.db2.gz PQHIFWTWWLENSG-CYBMUJFWSA-N -1 0 347.361 3.914 20 0 EHADRM C/C(=C\C1CCC(C)CC1)C(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1 ZINC001588956122 984701394 /nfs/dbraw/zinc/70/13/94/984701394.db2.gz HBULECAZSAWMIF-QPAZJOQPSA-N -1 0 343.467 3.961 20 0 EHADRM C/C(=C\C1CCC(C)CC1)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001588956584 984706804 /nfs/dbraw/zinc/70/68/04/984706804.db2.gz USPFMELQMRGQPJ-GXDHUFHOSA-N -1 0 331.412 3.861 20 0 EHADRM C[C@H](OC(=O)c1ccc(C(=O)[O-])o1)c1ccc(OC(F)(F)F)cc1 ZINC001599904181 984901440 /nfs/dbraw/zinc/90/14/40/984901440.db2.gz LAHOOEULFGALAS-QMMMGPOBSA-N -1 0 344.241 3.794 20 0 EHADRM C[C@H](OC(=O)c1cc(Br)cc(C(=O)[O-])c1)c1ccco1 ZINC001599904252 984902521 /nfs/dbraw/zinc/90/25/21/984902521.db2.gz RJSQFWUNECIEFS-QMMMGPOBSA-N -1 0 339.141 3.658 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001599905817 984921194 /nfs/dbraw/zinc/92/11/94/984921194.db2.gz XMSNADRDPMFMPZ-RISCZKNCSA-N -1 0 338.835 3.543 20 0 EHADRM C[C@H](Oc1ccc2ccccc2c1)C(=O)Oc1cccc(C(=O)[O-])c1 ZINC001599906195 984926023 /nfs/dbraw/zinc/92/60/23/984926023.db2.gz UZKNLRZJPDMKTN-ZDUSSCGKSA-N -1 0 336.343 3.911 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC001588998068 984932848 /nfs/dbraw/zinc/93/28/48/984932848.db2.gz GZSTXXIEOMUNOY-HJWRWDBZSA-N -1 0 346.383 3.900 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC001588999603 984938959 /nfs/dbraw/zinc/93/89/59/984938959.db2.gz XIAFXBYFVNRFHG-BENRWUELSA-N -1 0 325.339 3.517 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)c2scnc2C2CCCC2)(C(=O)[O-])CC1 ZINC001599907508 984942038 /nfs/dbraw/zinc/94/20/38/984942038.db2.gz FZJMLALHMUUAMU-QQVUYCAZSA-N -1 0 336.457 3.564 20 0 EHADRM C/C(=C/c1cccc(Cl)c1)C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001589001464 984944707 /nfs/dbraw/zinc/94/47/07/984944707.db2.gz KEBJUVFZDGHIQP-HBBBUGNISA-N -1 0 347.842 3.847 20 0 EHADRM C/C(=C\c1cccc(Cl)c1)C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001589001832 984945503 /nfs/dbraw/zinc/94/55/03/984945503.db2.gz LTRXRGXBZBRVEL-OLIGMDJZSA-N -1 0 333.815 3.599 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)CCCCC(=O)c2ccccc2)(C(=O)[O-])CC1 ZINC001599908336 984951853 /nfs/dbraw/zinc/95/18/53/984951853.db2.gz UIEWNRCJELRSDB-SGNKCFNYSA-N -1 0 345.439 3.579 20 0 EHADRM C/C(=C/c1ccccc1Cl)C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC001589003591 984954409 /nfs/dbraw/zinc/95/44/09/984954409.db2.gz FHVADGKXYKCRQE-QBFSEMIESA-N -1 0 335.831 3.989 20 0 EHADRM C/C(=C\c1ccncc1)C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001589011199 984988063 /nfs/dbraw/zinc/98/80/63/984988063.db2.gz SQZGTXIQXDFFAG-RMKNXTFCSA-N -1 0 334.734 3.614 20 0 EHADRM C[C@H]1CN(C(=O)N[C@H]2CCC[C@@H](C(C)(C)C)CC2)CC[C@H]1C(=O)[O-] ZINC001599918927 985102521 /nfs/dbraw/zinc/10/25/21/985102521.db2.gz RAEDQWFKCFTSOM-XUWVNRHRSA-N -1 0 338.492 3.734 20 0 EHADRM CCO[C@H](C(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1)C1CCCC1 ZINC001596767789 985181161 /nfs/dbraw/zinc/18/11/61/985181161.db2.gz ZEWMGIGQGRVBNY-INIZCTEOSA-N -1 0 334.412 3.550 20 0 EHADRM CCO[C@H](C)c1nc(CN[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)cs1 ZINC001596776822 985216882 /nfs/dbraw/zinc/21/68/82/985216882.db2.gz PEDIQEONPCFMFF-CZUORRHYSA-N -1 0 348.468 3.773 20 0 EHADRM C[C@H]1Cc2ccccc2N(C(=O)c2ccc3ccncc3c2)[C@H]1C(=O)[O-] ZINC001599937490 985413672 /nfs/dbraw/zinc/41/36/72/985413672.db2.gz RHJMNXGDSDFZLU-ORAYPTAESA-N -1 0 346.386 3.527 20 0 EHADRM COc1ccc2c(c1)[C@@H](C(=O)Nc1ccc(F)c(F)c1[O-])CCC2 ZINC000655141497 1015125838 /nfs/dbraw/zinc/12/58/38/1015125838.db2.gz WDWCQEJJUNGCDV-LBPRGKRZSA-N -1 0 333.334 3.738 20 0 EHADRM C[C@]1(C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)C[C@@H]1c1ccccc1 ZINC001599938038 985420401 /nfs/dbraw/zinc/42/04/01/985420401.db2.gz WRIILMHRVKZUMF-QKLQHJQFSA-N -1 0 329.440 3.578 20 0 EHADRM CCO[C@@H]1C[C@@H](OC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C12CCCCC2 ZINC001596845425 985542037 /nfs/dbraw/zinc/54/20/37/985542037.db2.gz GIJKGOSKJABPQY-KLHDSHLOSA-N -1 0 338.444 3.549 20 0 EHADRM CC(=O)Nc1ccc(C)c(N[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC001589189748 985585572 /nfs/dbraw/zinc/58/55/72/985585572.db2.gz BRQNBVUPCZBZED-QGZVFWFLSA-N -1 0 346.814 3.715 20 0 EHADRM CC(=O)Nc1ccc(C)c(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC001589189915 985588220 /nfs/dbraw/zinc/58/82/20/985588220.db2.gz MNPDBWGLBWXBCQ-UHFFFAOYSA-N -1 0 346.770 3.557 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2F)c2ccccc2S1 ZINC001594493117 985608926 /nfs/dbraw/zinc/60/89/26/985608926.db2.gz NNWUZBGTSVLPGX-SNVBAGLBSA-N -1 0 331.368 3.665 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCSc1ccc(Cl)cc1 ZINC000263479785 1125493565 /nfs/dbraw/zinc/49/35/65/1125493565.db2.gz GBDJXNRZLHNLQV-NEPJUHHUSA-N -1 0 341.860 3.534 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1CC(C)(C)c2cc(Cl)ccc21 ZINC001599955659 985685476 /nfs/dbraw/zinc/68/54/76/985685476.db2.gz ASFPZHBUMREXEE-UHFFFAOYSA-N -1 0 346.814 3.921 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1ccc2c(Cl)cccc2n1 ZINC001599956423 985695642 /nfs/dbraw/zinc/69/56/42/985695642.db2.gz AGZQUZJORFBHKZ-UHFFFAOYSA-N -1 0 343.770 3.784 20 0 EHADRM Cc1[nH]c(CN2CCc3cc(Cl)cc(Cl)c3C2)cc1C(=O)[O-] ZINC001599963831 985855023 /nfs/dbraw/zinc/85/50/23/985855023.db2.gz CCGQIUSEJDNEHR-UHFFFAOYSA-N -1 0 339.222 3.886 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)Nc2c(C)c(C(=O)[O-])ccc2Cl)c1C ZINC001589249423 985870579 /nfs/dbraw/zinc/87/05/79/985870579.db2.gz UMDQNISNMGVAAH-UHFFFAOYSA-N -1 0 348.786 3.746 20 0 EHADRM Cc1[nH]c2ccc(C(=O)N[C@H](CC(=O)[O-])C3CCCC3)cc2c1C ZINC001599965233 985890088 /nfs/dbraw/zinc/89/00/88/985890088.db2.gz RDTOMNSVGRBYAM-QGZVFWFLSA-N -1 0 328.412 3.548 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2nc(C3CCCC3)c(C(=O)[O-])s2)o1 ZINC001589278878 986001579 /nfs/dbraw/zinc/00/15/79/986001579.db2.gz JWMOGNVQMZQYCW-UHFFFAOYSA-N -1 0 348.380 3.547 20 0 EHADRM CC(=O)c1ccc(CC(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])cc1 ZINC001589283074 986007090 /nfs/dbraw/zinc/00/70/90/986007090.db2.gz AAQBWPHKRQMZNZ-UHFFFAOYSA-N -1 0 345.782 3.730 20 0 EHADRM C[C@H]1CN(C(=O)c2cccc(C(F)(F)F)c2[O-])CC2(CCCC2)O1 ZINC000655161505 1015183149 /nfs/dbraw/zinc/18/31/49/1015183149.db2.gz YEFBVVXUEWGWPT-NSHDSACASA-N -1 0 343.345 3.585 20 0 EHADRM Cc1c2cccc(Cl)c2[nH]c1C(=O)N(CC(=O)[O-])C1CCCC1 ZINC001599974252 986062340 /nfs/dbraw/zinc/06/23/40/986062340.db2.gz JQTMQVHDDNGVMW-UHFFFAOYSA-N -1 0 334.803 3.599 20 0 EHADRM C[C@@H]1CN(CCOc2ccccc2C(=O)[O-])c2cc(Cl)ccc2O1 ZINC001594531785 986125246 /nfs/dbraw/zinc/12/52/46/986125246.db2.gz OKOUOMCKWVDPSW-GFCCVEGCSA-N -1 0 347.798 3.705 20 0 EHADRM Cc1c(C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)sc2cccc(F)c12 ZINC001599978365 986127069 /nfs/dbraw/zinc/12/70/69/986127069.db2.gz CQPNOUOPMBBNEI-XYZCENFISA-N -1 0 335.400 3.532 20 0 EHADRM CC(C)c1[nH]c(CN2C[C@H](C)OC[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC001594536089 986150964 /nfs/dbraw/zinc/15/09/64/986150964.db2.gz PDEWKJZCOARQMD-KBXCAEBGSA-N -1 0 342.439 3.798 20 0 EHADRM Cc1c(C(=O)Nc2ccc(F)cc2C(=O)[O-])cnn1C1CCCCC1 ZINC001599983745 986200395 /nfs/dbraw/zinc/20/03/95/986200395.db2.gz NTNFBNRWYMZGTQ-UHFFFAOYSA-N -1 0 345.374 3.786 20 0 EHADRM Cc1c(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])oc2c1C(=O)CCC2 ZINC001599983951 986203675 /nfs/dbraw/zinc/20/36/75/986203675.db2.gz UICGAKQRBMBWKK-UHFFFAOYSA-N -1 0 347.754 3.711 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001599984220 986208274 /nfs/dbraw/zinc/20/82/74/986208274.db2.gz RPCPNPPYFROVNG-UHFFFAOYSA-N -1 0 344.367 3.623 20 0 EHADRM CCOc1c(Cl)cc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc1Cl ZINC001596987377 986266543 /nfs/dbraw/zinc/26/65/43/986266543.db2.gz YUXGRUSAPXDXOX-BDAKNGLRSA-N -1 0 346.210 3.832 20 0 EHADRM C[C@@H](C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21)c1ccc(F)c(F)c1 ZINC001589345582 986279133 /nfs/dbraw/zinc/27/91/33/986279133.db2.gz BXOOZIYWONCOIK-YPMHNXCESA-N -1 0 345.345 3.673 20 0 EHADRM CCOc1c(Cl)cc(NC(=O)c2ccc(C(=O)[O-])o2)cc1Cl ZINC001596992975 986279242 /nfs/dbraw/zinc/27/92/42/986279242.db2.gz RYOXKDTUEBKYSX-UHFFFAOYSA-N -1 0 344.150 3.936 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N(C)C1CCC(C)CC1 ZINC001597015146 986364481 /nfs/dbraw/zinc/36/44/81/986364481.db2.gz NDLOEKAWTAMZDA-UHFFFAOYSA-N -1 0 334.416 3.826 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)Nc1c(C)noc1C(C)C ZINC001597021824 986414533 /nfs/dbraw/zinc/41/45/33/986414533.db2.gz BOLNVPPJEAWAHX-UHFFFAOYSA-N -1 0 347.371 3.847 20 0 EHADRM C[C@@H](C(=O)N1c2ccccc2C[C@H](C)[C@@H]1C(=O)[O-])c1cccc(F)c1 ZINC001589374338 986427382 /nfs/dbraw/zinc/42/73/82/986427382.db2.gz MAISLIMVJXTMRD-VEVIJQCQSA-N -1 0 341.382 3.608 20 0 EHADRM CCOc1cc(Cl)ccc1NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001597036901 986480175 /nfs/dbraw/zinc/48/01/75/986480175.db2.gz PYICWSNDNWZSJH-VMPITWQZSA-N -1 0 335.743 3.682 20 0 EHADRM C[C@@H]1CSC[C@@H]1NC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001594611377 986604719 /nfs/dbraw/zinc/60/47/19/986604719.db2.gz ZXNWQVPZOUIQFF-PXAZEXFGSA-N -1 0 341.432 3.533 20 0 EHADRM C[C@H]1Cc2cc(C(=O)Nc3ncc(C(=O)[O-])c4ccccc43)ccc2O1 ZINC001594615379 986631946 /nfs/dbraw/zinc/63/19/46/986631946.db2.gz NFFVGFZGQWBHLT-NSHDSACASA-N -1 0 348.358 3.509 20 0 EHADRM C[C@H](C(=O)Nc1cc(Br)ccc1C(=O)[O-])C1CCCC1 ZINC001589428161 986698464 /nfs/dbraw/zinc/69/84/64/986698464.db2.gz BXGKLXPKOOHVRD-VIFPVBQESA-N -1 0 340.217 3.912 20 0 EHADRM C[C@H](C(=O)Nc1c(F)ccc(F)c1C(=O)[O-])c1ccc(F)cc1F ZINC001589428617 986702658 /nfs/dbraw/zinc/70/26/58/986702658.db2.gz GZSNGMSIOFDHOV-ZETCQYMHSA-N -1 0 341.260 3.683 20 0 EHADRM C[C@H](C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccc2c(c1)OCO2 ZINC001589431879 986734923 /nfs/dbraw/zinc/73/49/23/986734923.db2.gz RJCHVBCZHXNKKV-VIFPVBQESA-N -1 0 347.754 3.509 20 0 EHADRM C[C@H](C(=O)Nc1ccc(CC(=O)[O-])c(F)c1)c1cccc(Cl)c1 ZINC001589435879 986747204 /nfs/dbraw/zinc/74/72/04/986747204.db2.gz MWEUOMWTJBCVHQ-JTQLQIEISA-N -1 0 335.762 3.848 20 0 EHADRM C[C@@H](C(=O)Nc1cccnc1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001589445146 986808108 /nfs/dbraw/zinc/80/81/08/986808108.db2.gz VKMOVCCZRVTYGH-SECBINFHSA-N -1 0 338.285 3.541 20 0 EHADRM CCOc1ccc(NCc2ccc(O[C@H](C)C(=O)[O-])cc2)c(F)c1 ZINC001597122568 986816953 /nfs/dbraw/zinc/81/69/53/986816953.db2.gz DAQKCLRBMLYYHX-GFCCVEGCSA-N -1 0 333.359 3.688 20 0 EHADRM C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1C(=O)[O-] ZINC001594643519 986821102 /nfs/dbraw/zinc/82/11/02/986821102.db2.gz HCMJFBRCALCCOD-SWLSCSKDSA-N -1 0 341.363 3.541 20 0 EHADRM C[C@@H]1OCC[C@@H]1S[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001594648861 986857173 /nfs/dbraw/zinc/85/71/73/986857173.db2.gz ODANVJIJZKLUHU-XDTLVQLUSA-N -1 0 334.359 3.612 20 0 EHADRM C[C@@H]1Oc2ccccc2[C@H]1NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001594654675 986885264 /nfs/dbraw/zinc/88/52/64/986885264.db2.gz INLHAMJAFYZNKF-VFZGTOFNSA-N -1 0 346.770 3.682 20 0 EHADRM CCOc1ccc2nc(NC(=O)c3ccsc3C(=O)[O-])sc2c1 ZINC001597143712 986901041 /nfs/dbraw/zinc/90/10/41/986901041.db2.gz GVGDNVBVLUALLX-UHFFFAOYSA-N -1 0 348.405 3.707 20 0 EHADRM CCOc1cccc(/C=C\C(=O)Nc2c(CC)cccc2C(=O)[O-])c1 ZINC001597150658 986929221 /nfs/dbraw/zinc/92/92/21/986929221.db2.gz SFGHFAQVCJYFEE-QXMHVHEDSA-N -1 0 339.391 3.998 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)CCc1c(Cl)cccc1Cl)C1CCC1 ZINC001589472932 986970312 /nfs/dbraw/zinc/97/03/12/986970312.db2.gz VHSYEWMXRIFXMD-JTQLQIEISA-N -1 0 344.238 3.780 20 0 EHADRM C/C=C(\CC)C(=O)N(C)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001594677536 987015708 /nfs/dbraw/zinc/01/57/08/987015708.db2.gz NWVANXASJLXGEO-FAFAAHBOSA-N -1 0 330.211 3.934 20 0 EHADRM CCOc1ccccc1CCC(=O)O[C@H](C)c1cc(C(=O)[O-])co1 ZINC001597173841 987022251 /nfs/dbraw/zinc/02/22/51/987022251.db2.gz RCMRYWMCWBWLEO-GFCCVEGCSA-N -1 0 332.352 3.614 20 0 EHADRM C/C=C/COc1cccc(CC(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC001594689687 987077555 /nfs/dbraw/zinc/07/75/55/987077555.db2.gz VCJKKUIEQUBOLM-NSCUHMNNSA-N -1 0 325.364 3.521 20 0 EHADRM CCC(=CC(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-])CC ZINC001594691388 987090728 /nfs/dbraw/zinc/09/07/28/987090728.db2.gz SNCOICZOQYIYPV-IBGZPJMESA-N -1 0 339.435 3.946 20 0 EHADRM CC/C(=C/C(=O)OCc1nc(C(=O)[O-])cs1)c1ccc(C)cc1 ZINC001594693905 987104389 /nfs/dbraw/zinc/10/43/89/987104389.db2.gz GUUAYNOJJBOHJW-WQLSENKSSA-N -1 0 331.393 3.687 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N(C)Cc2c(F)cccc2F)cc1 ZINC001589503685 987109719 /nfs/dbraw/zinc/10/97/19/987109719.db2.gz GXZWCUWPEFDNPJ-NSHDSACASA-N -1 0 348.349 3.817 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)CCn2ccc3ccccc32)cc1 ZINC001589505840 987123356 /nfs/dbraw/zinc/12/33/56/987123356.db2.gz ZENPIMPQPCYBEV-AWEZNQCLSA-N -1 0 336.391 3.858 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2Cc3cc(F)c(F)cc3C2)cc1 ZINC001589508794 987130629 /nfs/dbraw/zinc/13/06/29/987130629.db2.gz MIFBXQMSTRJHHZ-JTQLQIEISA-N -1 0 346.333 3.701 20 0 EHADRM CCC(=O)c1ccc(NC(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC001594716740 987189981 /nfs/dbraw/zinc/18/99/81/987189981.db2.gz CMNUIRIYIOXINX-CYBMUJFWSA-N -1 0 346.408 3.678 20 0 EHADRM CCC(=O)c1ccc(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)cc1 ZINC001594716990 987191382 /nfs/dbraw/zinc/19/13/82/987191382.db2.gz LCGZMOUEHZSXQC-UHFFFAOYSA-N -1 0 346.408 3.810 20 0 EHADRM CCC(=O)c1cc(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)ccc1F ZINC001594717540 987195370 /nfs/dbraw/zinc/19/53/70/987195370.db2.gz DTDUQGSSFSHFHH-UHFFFAOYSA-N -1 0 329.327 3.677 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2ccoc2C(F)(F)F)c1 ZINC001589531344 987202320 /nfs/dbraw/zinc/20/23/20/987202320.db2.gz DHUNDIIAMHBESN-MRVPVSSYSA-N -1 0 327.258 3.739 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NCC2(c3ccc4c(c3)OCO4)CC2)c1 ZINC001589532536 987215635 /nfs/dbraw/zinc/21/56/35/987215635.db2.gz QYFQKQJEUWIGEO-ZDUSSCGKSA-N -1 0 339.391 3.747 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)Cc2cccc(Cl)c2F)c1 ZINC001589533501 987227338 /nfs/dbraw/zinc/22/73/38/987227338.db2.gz QVBGIBSGBMGLMN-SNVBAGLBSA-N -1 0 335.762 3.848 20 0 EHADRM CC[C@@H](C(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1)c1ccc(F)cc1 ZINC001594729086 987239172 /nfs/dbraw/zinc/23/91/72/987239172.db2.gz MQJACLDJMMTXGE-MSOLQXFVSA-N -1 0 343.398 3.878 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NCc2ccccc2OCCCCO)c1 ZINC001589540399 987243152 /nfs/dbraw/zinc/24/31/52/987243152.db2.gz XEGUUMLTTMXZKA-HNNXBMFYSA-N -1 0 343.423 3.638 20 0 EHADRM C[C@@H](C(=O)O[C@H](Cc1ccc(Cl)cc1)C(=O)[O-])c1ccsc1 ZINC001589541153 987253138 /nfs/dbraw/zinc/25/31/38/987253138.db2.gz ZVJGZJSDDKYUSG-QMTHXVAHSA-N -1 0 338.812 3.744 20 0 EHADRM CCS[C@H]1CC[C@H](N(C)C(=O)CC2(CC(=O)[O-])CCCC2)C1 ZINC001597257426 987262194 /nfs/dbraw/zinc/26/21/94/987262194.db2.gz VTRSQNDQDNVMRH-KBPBESRZSA-N -1 0 327.490 3.544 20 0 EHADRM CC[C@H](C(=O)Nc1cc(C(=O)[O-])no1)c1cccc(C(F)(F)F)c1 ZINC001594734958 987265614 /nfs/dbraw/zinc/26/56/14/987265614.db2.gz FSXPDUUDKKXADM-JTQLQIEISA-N -1 0 342.273 3.524 20 0 EHADRM CC[C@@H](C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O)c1ccccc1 ZINC001594735973 987272806 /nfs/dbraw/zinc/27/28/06/987272806.db2.gz SSUYHUHEXGLXRH-GFCCVEGCSA-N -1 0 333.771 3.876 20 0 EHADRM CCSCc1ccccc1C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001597267567 987304473 /nfs/dbraw/zinc/30/44/73/987304473.db2.gz MRBZBKRHKJVKCI-UHFFFAOYSA-N -1 0 347.411 3.958 20 0 EHADRM CCSc1ccc(CNC(=O)c2cc(F)cc(C(=O)[O-])c2)cc1 ZINC001597272840 987325373 /nfs/dbraw/zinc/32/53/73/987325373.db2.gz PNWHCBISHQXDEA-UHFFFAOYSA-N -1 0 333.384 3.566 20 0 EHADRM CCSc1cccc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC001597273174 987327045 /nfs/dbraw/zinc/32/70/45/987327045.db2.gz RMJRXKYCKVFHAS-CXAGYDPISA-N -1 0 343.448 3.990 20 0 EHADRM CCSc1cccc(CNC(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC001597277339 987334902 /nfs/dbraw/zinc/33/49/02/987334902.db2.gz MPMFHHWWHOOVRC-UHFFFAOYSA-N -1 0 330.409 3.819 20 0 EHADRM CCSc1nnc(S[C@H](C(=O)[O-])c2ccc(F)cc2)s1 ZINC001597278950 987337851 /nfs/dbraw/zinc/33/78/51/987337851.db2.gz BBYRLQZYFOUHKD-VIFPVBQESA-N -1 0 330.431 3.707 20 0 EHADRM CCSc1ccccc1CC(=O)N(C)c1ccccc1C(=O)[O-] ZINC001597279442 987342557 /nfs/dbraw/zinc/34/25/57/987342557.db2.gz HYZKGYDNFVJDCA-UHFFFAOYSA-N -1 0 329.421 3.702 20 0 EHADRM CC(C)(C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])c1ccc2ccccc2c1 ZINC001589579809 987359476 /nfs/dbraw/zinc/35/94/76/987359476.db2.gz LNINUVCYUFQJCY-FUHWJXTLSA-N -1 0 339.435 3.877 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)N1CC[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC001589593950 987409112 /nfs/dbraw/zinc/40/91/12/987409112.db2.gz JXQACSKZVDRKTE-BHYGNILZSA-N -1 0 344.455 3.813 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)N[C@@H]1CCCC2(CC2)C1)c1ccccc1 ZINC001589594736 987412219 /nfs/dbraw/zinc/41/22/19/987412219.db2.gz RJOJJQOXZGYPBU-CVEARBPZSA-N -1 0 344.455 3.861 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)NC[C@@H]2CCC=CCCC2)C1 ZINC001589610333 987457673 /nfs/dbraw/zinc/45/76/73/987457673.db2.gz QBULRDWZBITKEW-HZPDHXFCSA-N -1 0 336.476 3.655 20 0 EHADRM CCc1[nH]c(C(=O)N[C@H]2CCC[C@@H]2CCC(C)C)c(C)c1C(=O)[O-] ZINC001597367319 987541312 /nfs/dbraw/zinc/54/13/12/987541312.db2.gz QFXYKHJFJHYIPX-HIFRSBDPSA-N -1 0 334.460 3.918 20 0 EHADRM CCc1[nH]c(C(=O)N[C@H]2CCSc3ccccc32)c(C)c1C(=O)[O-] ZINC001597367555 987542772 /nfs/dbraw/zinc/54/27/72/987542772.db2.gz VSDZVWRYMBUVAC-ZDUSSCGKSA-N -1 0 344.436 3.551 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NC2(C)C(C)(C)C2(C)C)cc1 ZINC001589636415 987554367 /nfs/dbraw/zinc/55/43/67/987554367.db2.gz RPPGCMKYRGXIAE-UHFFFAOYSA-N -1 0 332.444 3.995 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(-c2cccc(NC(=O)C3CC3)c2)n1 ZINC001589648714 987581663 /nfs/dbraw/zinc/58/16/63/987581663.db2.gz DUHPKHROLAYVBV-UHFFFAOYSA-N -1 0 330.409 3.521 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(NC(=O)[C@@H]2CCCC[C@@H]2C2CC2)n1 ZINC001589648913 987583998 /nfs/dbraw/zinc/58/39/98/987583998.db2.gz FGPICDQSZHUKHW-VXGBXAGGSA-N -1 0 336.457 3.660 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)C[C@@]2(C)CC2(Cl)Cl)c1 ZINC001589650646 987599069 /nfs/dbraw/zinc/59/90/69/987599069.db2.gz MRNIZYHLPHGISN-HNNXBMFYSA-N -1 0 345.222 3.928 20 0 EHADRM CC(C)(C(=O)OCc1c(F)cc(C(=O)[O-])cc1F)c1ccccc1 ZINC001589680793 987706432 /nfs/dbraw/zinc/70/64/32/987706432.db2.gz GPCRJXDDQQMLKG-UHFFFAOYSA-N -1 0 334.318 3.684 20 0 EHADRM CCc1c(NCc2ccc(C(=O)[O-])o2)cnn1-c1ccccc1C ZINC001597420153 987731464 /nfs/dbraw/zinc/73/14/64/987731464.db2.gz WVLCBFBPNAYBHF-UHFFFAOYSA-N -1 0 325.368 3.646 20 0 EHADRM CCc1cc(=O)oc2cc(OCc3ccccc3CC(=O)[O-])ccc12 ZINC001597423582 987745220 /nfs/dbraw/zinc/74/52/20/987745220.db2.gz FDPIIDMBTKXAMM-UHFFFAOYSA-N -1 0 338.359 3.562 20 0 EHADRM CCc1cc(C(=O)Nc2cccc3cc(C(=O)[O-])sc32)cc(=O)[nH]1 ZINC001597436840 987780044 /nfs/dbraw/zinc/78/00/44/987780044.db2.gz FCPLNYHDDMEBJB-UHFFFAOYSA-N -1 0 342.376 3.515 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)[C@@H](C)Cc2cccc(F)c2)s1 ZINC001597440138 987797603 /nfs/dbraw/zinc/79/76/03/987797603.db2.gz ABXLHOKTDHAGMH-JTQLQIEISA-N -1 0 335.400 3.965 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)N2CCC[C@H](CSC)C2)s1 ZINC001597442441 987805483 /nfs/dbraw/zinc/80/54/83/987805483.db2.gz BAAZLJYRQKPNCU-JTQLQIEISA-N -1 0 342.486 3.616 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)n1 ZINC000254985360 1015342177 /nfs/dbraw/zinc/34/21/77/1015342177.db2.gz VOGJYXQRRQJJPJ-HJWRWDBZSA-N -1 0 326.418 3.647 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@H]1CCO[C@H](CC(C)C)C1 ZINC001597456931 987867380 /nfs/dbraw/zinc/86/73/80/987867380.db2.gz FGTXOBGEHPOPCM-JKSUJKDBSA-N -1 0 348.443 3.662 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCC1(C)CC(F)(F)C1 ZINC001597458816 987882522 /nfs/dbraw/zinc/88/25/22/987882522.db2.gz VJTIRCSQFDVKDP-UHFFFAOYSA-N -1 0 326.343 3.504 20 0 EHADRM CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001589728510 987934458 /nfs/dbraw/zinc/93/44/58/987934458.db2.gz MZVQHENITHHXEK-OWCLPIDISA-N -1 0 338.492 3.639 20 0 EHADRM CC(C)(C)[C@@H]1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CCO1 ZINC001589731416 987947850 /nfs/dbraw/zinc/94/78/50/987947850.db2.gz CQXPEMJGFMJEBZ-GJZGRUSLSA-N -1 0 325.836 3.603 20 0 EHADRM CC(C)(C)[C@@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC001589732877 987970037 /nfs/dbraw/zinc/97/00/37/987970037.db2.gz RBNXVVVUSAEPES-SNVBAGLBSA-N -1 0 340.370 3.953 20 0 EHADRM CC(C)(C)[C@H]1CCc2sc(C(=O)Nc3cc(C(=O)[O-])no3)cc2C1 ZINC001589735569 987986798 /nfs/dbraw/zinc/98/67/98/987986798.db2.gz VFKLGJCTYYMBFF-JTQLQIEISA-N -1 0 348.424 3.838 20 0 EHADRM CCc1ccc(-c2cc(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)no2)cc1 ZINC001597489166 988007950 /nfs/dbraw/zinc/00/79/50/988007950.db2.gz AZXZBSXXYBRZTF-MRXNPFEDSA-N -1 0 344.411 3.523 20 0 EHADRM CCc1ccc(C(=O)N2CCCC[C@H]2c2ccc(C(=O)[O-])n2C)s1 ZINC001597498426 988045031 /nfs/dbraw/zinc/04/50/31/988045031.db2.gz BJUWXGUNBAOENE-AWEZNQCLSA-N -1 0 346.452 3.715 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001589751798 988056555 /nfs/dbraw/zinc/05/65/55/988056555.db2.gz RTMNMWFEKIZGOT-MRXNPFEDSA-N -1 0 344.386 3.826 20 0 EHADRM CCc1ccc(C(=O)Nc2cc(C)c(C(=O)[O-])c(C)n2)cc1CC ZINC001597502842 988068772 /nfs/dbraw/zinc/06/87/72/988068772.db2.gz HWEZRYHXQVHROG-UHFFFAOYSA-N -1 0 326.396 3.774 20 0 EHADRM CSCC[C@@H](C)N(C)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001599795497 988090966 /nfs/dbraw/zinc/09/09/66/988090966.db2.gz QERBGVXXJPRBMX-QWHCGFSZSA-N -1 0 338.473 3.555 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N(CC(=O)[O-])C2CCCCC2)cc1 ZINC001597511582 988092363 /nfs/dbraw/zinc/09/23/63/988092363.db2.gz FAWCBEWCMQETJI-OAHLLOKOSA-N -1 0 331.456 3.989 20 0 EHADRM CC(C)(C)C[C@@H]1CCCN1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001589764588 988103872 /nfs/dbraw/zinc/10/38/72/988103872.db2.gz OYALHKOGZJHCRG-AWEZNQCLSA-N -1 0 334.416 3.583 20 0 EHADRM CC(C)(C)CCCC(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC001589771776 988124021 /nfs/dbraw/zinc/12/40/21/988124021.db2.gz GXNFKNRSSOHRPE-UHFFFAOYSA-N -1 0 335.444 3.763 20 0 EHADRM CCc1ccc([C@H]2C[C@@H](C)CCN2Cc2nc(C(=O)[O-])cs2)o1 ZINC001597516574 988128631 /nfs/dbraw/zinc/12/86/31/988128631.db2.gz DQRRJSVSGJJUNE-SMDDNHRTSA-N -1 0 334.441 3.970 20 0 EHADRM CC(C)(C)CCN(CCc1ccccc1)c1nccc(C(=O)[O-])n1 ZINC001589774449 988133857 /nfs/dbraw/zinc/13/38/57/988133857.db2.gz NSJGEXKDXDIKPP-UHFFFAOYSA-N -1 0 327.428 3.660 20 0 EHADRM CCc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(C(=O)[O-])n2C)o1 ZINC001597518231 988135349 /nfs/dbraw/zinc/13/53/49/988135349.db2.gz RQYHYJXLKXOEHI-AWEZNQCLSA-N -1 0 344.411 3.636 20 0 EHADRM CCc1ccc([C@@H]2CCCN(C(=O)c3cccc(C(=O)[O-])c3)C2)cc1 ZINC001597518221 988135425 /nfs/dbraw/zinc/13/54/25/988135425.db2.gz RPTDRQDLMIKNKY-LJQANCHMSA-N -1 0 337.419 3.967 20 0 EHADRM CCc1ccc([C@@H]2CCCCCN2C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)o1 ZINC001597517848 988135672 /nfs/dbraw/zinc/13/56/72/988135672.db2.gz QBLWQBVQHOULKL-ZBFHGGJFSA-N -1 0 346.427 3.642 20 0 EHADRM CCc1ccc(F)cc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC001597530520 988185676 /nfs/dbraw/zinc/18/56/76/988185676.db2.gz FFASGVJQYSWBFX-INIZCTEOSA-N -1 0 349.789 3.987 20 0 EHADRM CC(C)(C)N(Cc1ccccn1)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001589795123 988188926 /nfs/dbraw/zinc/18/89/26/988188926.db2.gz AWGURTHKHPSRQE-UHFFFAOYSA-N -1 0 340.423 3.540 20 0 EHADRM CSCCc1ccc(N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])cc1 ZINC001599801833 988190152 /nfs/dbraw/zinc/19/01/52/988190152.db2.gz FEMOKLFDZHHVAS-KRWDZBQOSA-N -1 0 333.428 3.839 20 0 EHADRM CCc1ccc(N(CC(C)C)C(=O)Cc2ccc(C(=O)[O-])nc2)cc1 ZINC001597533305 988195665 /nfs/dbraw/zinc/19/56/65/988195665.db2.gz NFTFTSQTWHBQRF-UHFFFAOYSA-N -1 0 340.423 3.574 20 0 EHADRM CSCc1ccc(CN2C[C@H](C(=O)[O-])Cc3ccccc32)cc1 ZINC001599802639 988202353 /nfs/dbraw/zinc/20/23/53/988202353.db2.gz PWVZXWIKVYEUEW-QGZVFWFLSA-N -1 0 327.449 3.813 20 0 EHADRM CSCc1cccc(-c2noc(Cc3ccccc3C(=O)[O-])n2)c1 ZINC001599803228 988211527 /nfs/dbraw/zinc/21/15/27/988211527.db2.gz QUGFYAYBSPLYSL-UHFFFAOYSA-N -1 0 340.404 3.889 20 0 EHADRM CCc1ccc(NC(=O)N2CCC[C@]3(CC3(F)F)C2)c(C(=O)[O-])c1 ZINC001597546531 988249686 /nfs/dbraw/zinc/24/96/86/988249686.db2.gz ACKDIMNRJQZQDL-INIZCTEOSA-N -1 0 338.354 3.600 20 0 EHADRM CCc1ccc(NC(=O)N2CCC(F)(F)C[C@@H]2C)c(C(=O)[O-])c1 ZINC001597547117 988256062 /nfs/dbraw/zinc/25/60/62/988256062.db2.gz DJYSVLBKTAPYQJ-JTQLQIEISA-N -1 0 326.343 3.599 20 0 EHADRM CCc1ccc(NC(=O)NC2(CC(=O)[O-])CCCCC2)cc1OC ZINC001597547223 988256742 /nfs/dbraw/zinc/25/67/42/988256742.db2.gz RCFNPAKGAAHNMJ-UHFFFAOYSA-N -1 0 334.416 3.557 20 0 EHADRM CSc1c(F)cc(NC(=O)NC2(CC(=O)[O-])CCCC2)cc1F ZINC001599806289 988261820 /nfs/dbraw/zinc/26/18/20/988261820.db2.gz QWWGIKNFQYUQPH-UHFFFAOYSA-N -1 0 344.383 3.596 20 0 EHADRM CCc1ccc(NC(=O)c2cccc3scnc32)c(C(=O)[O-])c1 ZINC001597551294 988273454 /nfs/dbraw/zinc/27/34/54/988273454.db2.gz XLVNPHZQXODKNS-UHFFFAOYSA-N -1 0 326.377 3.809 20 0 EHADRM CC(C)(C)NC(=O)c1cccc(NCc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001589829460 988296176 /nfs/dbraw/zinc/29/61/76/988296176.db2.gz CZOZKSQIKPDWGV-UHFFFAOYSA-N -1 0 344.386 3.664 20 0 EHADRM CC(C)(C)NC(=O)c1ccc(NCc2ccsc2C(=O)[O-])cc1 ZINC001589830910 988301837 /nfs/dbraw/zinc/30/18/37/988301837.db2.gz YHVHZTBICZNKHZ-UHFFFAOYSA-N -1 0 332.425 3.587 20 0 EHADRM C[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)C1CCC(F)(F)CC1 ZINC000655341854 1015378166 /nfs/dbraw/zinc/37/81/66/1015378166.db2.gz VPTLEQZNRANQIA-SSDOTTSWSA-N -1 0 337.288 3.753 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2CC3CCC2CC3)cc1 ZINC001599810475 988326057 /nfs/dbraw/zinc/32/60/57/988326057.db2.gz YSBVDUMNJFZWAX-DNDXXGFKSA-N -1 0 347.480 3.867 20 0 EHADRM CCc1ccc2nc(NC(=O)c3c(C)coc3CC(=O)[O-])sc2c1 ZINC001597570506 988345323 /nfs/dbraw/zinc/34/53/23/988345323.db2.gz MDBLZBPSFBQSOD-UHFFFAOYSA-N -1 0 344.392 3.640 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)Cc1cccc2ncccc12 ZINC001597571634 988351582 /nfs/dbraw/zinc/35/15/82/988351582.db2.gz FBXDVCUEOBCYSP-UHFFFAOYSA-N -1 0 334.375 3.677 20 0 EHADRM CSc1ccc(C=Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc1 ZINC001599812902 988368510 /nfs/dbraw/zinc/36/85/10/988368510.db2.gz REWJCPKYNWEFQP-WTKPLQERSA-N -1 0 338.388 3.926 20 0 EHADRM CSc1ccc(CCCC(=O)N2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)cc1 ZINC001599812949 988369458 /nfs/dbraw/zinc/36/94/58/988369458.db2.gz PLQNYBLVAPJCNI-MIFYACCESA-N -1 0 349.496 3.831 20 0 EHADRM CCc1cccc(C(=O)O[C@H]2CCCc3cc(C(=O)[O-])ccc32)n1 ZINC001597578721 988374669 /nfs/dbraw/zinc/37/46/69/988374669.db2.gz KINCCCCKLCKHDM-KRWDZBQOSA-N -1 0 325.364 3.577 20 0 EHADRM CSc1ccc(CNC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cc1 ZINC001599813293 988375700 /nfs/dbraw/zinc/37/57/00/988375700.db2.gz OFCXHMIDIYKNSW-GFCCVEGCSA-N -1 0 344.436 3.918 20 0 EHADRM CSc1ccc(C)c(NC(=O)NCC2(C(=O)[O-])CCCCC2)c1 ZINC001599813656 988382358 /nfs/dbraw/zinc/38/23/58/988382358.db2.gz ZTMWZLORHRMHFS-UHFFFAOYSA-N -1 0 336.457 3.874 20 0 EHADRM CSc1ccc(F)cc1CNC(=O)Nc1ccc(C(=O)[O-])s1 ZINC001599814473 988396894 /nfs/dbraw/zinc/39/68/94/988396894.db2.gz KUYMHEILHPXIND-UHFFFAOYSA-N -1 0 340.401 3.629 20 0 EHADRM CSc1ccc(NC(=O)CCC(=O)c2cccs2)cc1C(=O)[O-] ZINC001599815314 988412700 /nfs/dbraw/zinc/41/27/00/988412700.db2.gz FRHJZTXSTFUEEJ-UHFFFAOYSA-N -1 0 349.433 3.770 20 0 EHADRM CSc1ccc(NC(=O)C(F)(F)c2ccccc2)cc1C(=O)[O-] ZINC001599815779 988420507 /nfs/dbraw/zinc/42/05/07/988420507.db2.gz HNGLPMHMPSBVHD-UHFFFAOYSA-N -1 0 337.347 3.837 20 0 EHADRM CSc1ccc(NC(=O)/C=C/c2ccc(C=O)cc2)cc1C(=O)[O-] ZINC001599815713 988420528 /nfs/dbraw/zinc/42/05/28/988420528.db2.gz GATDTCMTRFZJOP-RMKNXTFCSA-N -1 0 341.388 3.571 20 0 EHADRM CSc1ccc(NC(=O)[C@@H]2CCCCCC(=O)C2)cc1C(=O)[O-] ZINC001599816543 988435058 /nfs/dbraw/zinc/43/50/58/988435058.db2.gz ZCMUFJKFGXVTTA-LLVKDONJSA-N -1 0 335.425 3.585 20 0 EHADRM CSc1ccc(NC(=O)NCCC2CC(F)(F)C2)cc1C(=O)[O-] ZINC001599818250 988464853 /nfs/dbraw/zinc/46/48/53/988464853.db2.gz CZSLARICVFCSNL-UHFFFAOYSA-N -1 0 344.383 3.664 20 0 EHADRM O=C(Nc1cccc(-n2cccn2)c1)c1ccc2[n-]c(=S)oc2c1 ZINC000072954522 1015393656 /nfs/dbraw/zinc/39/36/56/1015393656.db2.gz HLNLPKHVXQPUOZ-UHFFFAOYSA-N -1 0 336.376 3.928 20 0 EHADRM CSc1cccc(F)c1CNCc1cc(C(=O)[O-])c(C(C)C)[nH]1 ZINC001599822604 988540239 /nfs/dbraw/zinc/54/02/39/988540239.db2.gz UWUIJSGBAPFDNJ-UHFFFAOYSA-N -1 0 336.432 3.987 20 0 EHADRM CCc1ccnc(C(=O)O[C@H]2CCCc3cc(C(=O)[O-])ccc32)c1 ZINC001597622976 988566083 /nfs/dbraw/zinc/56/60/83/988566083.db2.gz HHSSQANBUVMSSV-KRWDZBQOSA-N -1 0 325.364 3.577 20 0 EHADRM CCc1cnc(CN[C@H](C(=O)[O-])c2cccc3ccccc32)s1 ZINC001597630840 988593123 /nfs/dbraw/zinc/59/31/23/988593123.db2.gz FNSWQFRTJQSALL-KRWDZBQOSA-N -1 0 326.421 3.774 20 0 EHADRM CCc1[nH]nc(NC(=O)c2cccc(C(=O)[O-])c2)c1-c1cccs1 ZINC001597645163 988660843 /nfs/dbraw/zinc/66/08/43/988660843.db2.gz MQSDPRLLFAYCLX-UHFFFAOYSA-N -1 0 341.392 3.651 20 0 EHADRM CCc1nc(C(C)C)ccc1C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001597651832 988694294 /nfs/dbraw/zinc/69/42/94/988694294.db2.gz DCZAGTDFLVGHLD-UHFFFAOYSA-N -1 0 344.411 3.639 20 0 EHADRM CCc1nc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)sc1C(=O)[O-] ZINC001597676302 988790378 /nfs/dbraw/zinc/79/03/78/988790378.db2.gz SIRQYTMXSJFMNO-IJLUTSLNSA-N -1 0 336.457 3.949 20 0 EHADRM CCc1nc(NC(=O)c2ccc(CC(C)C)s2)sc1C(=O)[O-] ZINC001597682257 988821569 /nfs/dbraw/zinc/82/15/69/988821569.db2.gz VLYYEWZKWFAISV-UHFFFAOYSA-N -1 0 338.454 3.916 20 0 EHADRM CCc1nc(S[C@H](Cc2ccc(F)cc2)C(=O)[O-])sc1C ZINC001597689011 988855129 /nfs/dbraw/zinc/85/51/29/988855129.db2.gz BAOZBKYIOQZUHV-CYBMUJFWSA-N -1 0 325.430 3.941 20 0 EHADRM CCc1nc2ccc(NC(=O)N3CCC(CC(=O)[O-])CC3)cc2s1 ZINC001597692008 988890685 /nfs/dbraw/zinc/89/06/85/988890685.db2.gz YBYZCOBSMSWPJR-UHFFFAOYSA-N -1 0 347.440 3.577 20 0 EHADRM C[C@@H](OC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1cccc(OC(F)F)c1 ZINC001599846151 988935466 /nfs/dbraw/zinc/93/54/66/988935466.db2.gz CNFBYTNNUOYGMF-RAIGVLPGSA-N -1 0 342.338 3.783 20 0 EHADRM CCc1ncc(NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])cn1 ZINC001597703124 988937326 /nfs/dbraw/zinc/93/73/26/988937326.db2.gz VFNGAUOBUKOSJW-UHFFFAOYSA-N -1 0 347.374 3.657 20 0 EHADRM CCCN(C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O)C1CC1 ZINC000179542267 1015433772 /nfs/dbraw/zinc/43/37/72/1015433772.db2.gz YICJBZNEPHIUSN-UHFFFAOYSA-N -1 0 334.416 3.754 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCCC2(C)C)c(O)c1 ZINC000179539240 1015434116 /nfs/dbraw/zinc/43/41/16/1015434116.db2.gz ATTJURGXXBGNJD-UHFFFAOYSA-N -1 0 334.416 3.754 20 0 EHADRM C[C@@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)C[C@H]1C(=O)[O-] ZINC001599852661 989038017 /nfs/dbraw/zinc/03/80/17/989038017.db2.gz PWWDMTLQDJBGID-CZUORRHYSA-N -1 0 349.858 3.721 20 0 EHADRM CCc1nocc1CN(C)[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001597756490 989172666 /nfs/dbraw/zinc/17/26/66/989172666.db2.gz JOWNFCOGGWEMJE-AWEZNQCLSA-N -1 0 342.317 3.514 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(Cl)cc2C(F)(F)F)C[C@H]1CC(=O)[O-] ZINC001599863634 989209141 /nfs/dbraw/zinc/20/91/41/989209141.db2.gz XIKUKDNCYVXUMU-RKDXNWHRSA-N -1 0 349.736 3.542 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)[C@H](C)c1ccc(F)cc1F ZINC001597768311 989232495 /nfs/dbraw/zinc/23/24/95/989232495.db2.gz XZZSIINCYLWRKM-SECBINFHSA-N -1 0 338.306 3.665 20 0 EHADRM CCc1oc(CNCc2ccc(OC(F)F)c(F)c2)cc1C(=O)[O-] ZINC001597805629 989415156 /nfs/dbraw/zinc/41/51/56/989415156.db2.gz MEIRSXCKNWKPBC-UHFFFAOYSA-N -1 0 343.301 3.571 20 0 EHADRM CCc1oc2ccccc2c1CC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC001597807786 989421408 /nfs/dbraw/zinc/42/14/08/989421408.db2.gz KOYGUCOPHCRGHO-QRWLVFNGSA-N -1 0 343.423 3.687 20 0 EHADRM CCc1sc(C(=O)N2c3cccc(C)c3C[C@H]2C(=O)[O-])cc1C ZINC001597818088 989451573 /nfs/dbraw/zinc/45/15/73/989451573.db2.gz KRWYCXVWBGBOJY-AWEZNQCLSA-N -1 0 329.421 3.583 20 0 EHADRM C[C@@]12CSC[C@@H]1C[N@@H+]([C@H](C(=O)[O-])c1cccc(Cl)c1Cl)C2 ZINC001599885151 989542436 /nfs/dbraw/zinc/54/24/36/989542436.db2.gz WCRYJNAMVIVNBV-DYQSUWPFSA-N -1 0 346.279 3.804 20 0 EHADRM CCn1c(SCCc2ccccc2C(=O)[O-])nnc1-c1ccco1 ZINC001597864672 989650258 /nfs/dbraw/zinc/65/02/58/989650258.db2.gz MMCDGCMCVQQQIG-UHFFFAOYSA-N -1 0 343.408 3.591 20 0 EHADRM CC[C@@H](NC(=O)CC1(C(=O)[O-])CCCCCC1)c1c(C)noc1C ZINC000339680526 1015498642 /nfs/dbraw/zinc/49/86/42/1015498642.db2.gz PVWCPXMOZVJEJL-CQSZACIVSA-N -1 0 336.432 3.674 20 0 EHADRM CCn1cc(Cl)c(C(=O)Oc2cc3ccccc3cc2C(=O)[O-])n1 ZINC001597894342 989753956 /nfs/dbraw/zinc/75/39/56/989753956.db2.gz XTTIVIQNQJNPBN-UHFFFAOYSA-N -1 0 344.754 3.627 20 0 EHADRM CCn1cnnc1S[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001597926706 989866635 /nfs/dbraw/zinc/86/66/35/989866635.db2.gz BQOUMRVBSMVPFM-JTQLQIEISA-N -1 0 332.212 3.523 20 0 EHADRM CCn1cnnc1S[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001597926756 989867494 /nfs/dbraw/zinc/86/74/94/989867494.db2.gz FTBZEAILFSNFSL-JTQLQIEISA-N -1 0 332.212 3.523 20 0 EHADRM CC(C)(C)OC1CCN(c2cc(C(F)(F)F)c(C(=O)[O-])cn2)CC1 ZINC001590377818 989876395 /nfs/dbraw/zinc/87/63/95/989876395.db2.gz AGDRXQNIZUZDFU-UHFFFAOYSA-N -1 0 346.349 3.583 20 0 EHADRM CC(C)(C)O[C@H]1C[C@@H](Nc2ccc3cnn(CC(=O)[O-])c3c2)C1(C)C ZINC001590379588 989890667 /nfs/dbraw/zinc/89/06/67/989890667.db2.gz VQVDOUVISYUFKR-CVEARBPZSA-N -1 0 345.443 3.515 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)c2ccccc2C(=O)[O-])c1 ZINC001590398447 989929519 /nfs/dbraw/zinc/92/95/19/989929519.db2.gz FVSWTCOZRSNPJB-UHFFFAOYSA-N -1 0 327.380 3.952 20 0 EHADRM CC(C)(C)Oc1ccc(-c2nc(-c3cccc(C(=O)[O-])c3)no2)nc1 ZINC001590409512 989947711 /nfs/dbraw/zinc/94/77/11/989947711.db2.gz MHKLBPPXQTXZBX-UHFFFAOYSA-N -1 0 339.351 3.674 20 0 EHADRM CC(C)(C)Oc1cccc(NC(=O)N2CCC(CC(=O)[O-])CC2)c1 ZINC001590420676 989966100 /nfs/dbraw/zinc/96/61/00/989966100.db2.gz YGGBATSXQUCTSR-UHFFFAOYSA-N -1 0 334.416 3.583 20 0 EHADRM CC(C)(C)c1cc(C(=O)NCCCC(=O)[O-])cc(C(C)(C)C)c1O ZINC001590454338 990022229 /nfs/dbraw/zinc/02/22/29/990022229.db2.gz UQJXZTJAIQSAJZ-UHFFFAOYSA-N -1 0 335.444 3.582 20 0 EHADRM CC(C)(C)c1ccc(C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001590475837 990051769 /nfs/dbraw/zinc/05/17/69/990051769.db2.gz YMWQMVBIPDWZCG-KRWDZBQOSA-N -1 0 343.398 3.721 20 0 EHADRM CC(C)(C)c1ccc(C2CCN(C(=O)C3(C(=O)[O-])CC3)CC2)cc1 ZINC001590480068 990059922 /nfs/dbraw/zinc/05/99/22/990059922.db2.gz OCUODJYHYUMQOA-UHFFFAOYSA-N -1 0 329.440 3.555 20 0 EHADRM CC(C)(C)c1ccc(C(C)(C)CNc2nccnc2C(=O)[O-])cc1 ZINC001590481468 990072431 /nfs/dbraw/zinc/07/24/31/990072431.db2.gz CVYLTYOJVXGMBF-UHFFFAOYSA-N -1 0 327.428 3.862 20 0 EHADRM CC(C)(C)c1ccc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)nc1 ZINC001590481961 990077970 /nfs/dbraw/zinc/07/79/70/990077970.db2.gz XYCFRPMNUICGCC-UHFFFAOYSA-N -1 0 340.423 3.994 20 0 EHADRM CC(C)(C)c1ccc2cc(C(=O)NCc3cc(C(=O)[O-])co3)[nH]c2c1 ZINC001590500227 990114838 /nfs/dbraw/zinc/11/48/38/990114838.db2.gz FLQMFVAXFULEGI-UHFFFAOYSA-N -1 0 340.379 3.687 20 0 EHADRM CC(C)(C)c1ccc(SCC(=O)N2CCCC[C@@H]2CC(=O)[O-])cc1 ZINC001590501018 990116529 /nfs/dbraw/zinc/11/65/29/990116529.db2.gz OFVQZIHZAJUUJU-OAHLLOKOSA-N -1 0 349.496 3.932 20 0 EHADRM CC(C)(C)c1ccc2[nH]c(C(=O)N3CCC(CC(=O)[O-])CC3)cc2c1 ZINC001590501374 990118438 /nfs/dbraw/zinc/11/84/38/990118438.db2.gz ZAVPRMYREYSKEC-UHFFFAOYSA-N -1 0 342.439 3.792 20 0 EHADRM CN(C(=O)CC(F)(F)F)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598007999 990169778 /nfs/dbraw/zinc/16/97/78/990169778.db2.gz QVGDAVKQCRWDDO-JTQLQIEISA-N -1 0 344.116 3.530 20 0 EHADRM CN(C(=O)Cc1c[nH]c2cccc(Cl)c12)C1(C(=O)[O-])CCCCC1 ZINC001598034150 990258028 /nfs/dbraw/zinc/25/80/28/990258028.db2.gz FHMGDRBSTVQLPT-UHFFFAOYSA-N -1 0 348.830 3.610 20 0 EHADRM CN(C(=O)NCC1(CC(=O)[O-])CCCC1)[C@H]1CCCc2ccccc21 ZINC001598046372 990283084 /nfs/dbraw/zinc/28/30/84/990283084.db2.gz CYXNWXYGYOQDCZ-KRWDZBQOSA-N -1 0 344.455 3.741 20 0 EHADRM CC(C)(CC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)c1ccc(F)cc1 ZINC001590620819 990298225 /nfs/dbraw/zinc/29/82/25/990298225.db2.gz IHLLZYFTHJBYNW-JQFCIGGWSA-N -1 0 347.430 3.738 20 0 EHADRM CC(C)(CC(=O)NC1(C(=O)[O-])CCCCC1)CC(=O)c1ccccc1 ZINC001590620939 990299044 /nfs/dbraw/zinc/29/90/44/990299044.db2.gz MMTYDGBGYMVIKD-UHFFFAOYSA-N -1 0 345.439 3.579 20 0 EHADRM CC(C)(CC(=O)[O-])C(=O)OCc1cc(Cl)ccc1Br ZINC001590624928 990306712 /nfs/dbraw/zinc/30/67/12/990306712.db2.gz DVCDNPJEEYMLDX-UHFFFAOYSA-N -1 0 349.608 3.647 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC001590627887 990317262 /nfs/dbraw/zinc/31/72/62/990317262.db2.gz PJPHBLMQQDEICK-INIZCTEOSA-N -1 0 341.810 3.937 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCc2cc(-c3ccccc3)oc2C1 ZINC001590627843 990317365 /nfs/dbraw/zinc/31/73/65/990317365.db2.gz NRNJXHUWGJULBB-UHFFFAOYSA-N -1 0 341.407 3.722 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ncc(-c2ccc(F)cc2)s1 ZINC001590636851 990325915 /nfs/dbraw/zinc/32/59/15/990325915.db2.gz XTEQYXKAIKPPPK-UHFFFAOYSA-N -1 0 336.388 3.779 20 0 EHADRM CN(C(=O)Nc1cccc2cc(C(=O)[O-])sc21)[C@@H]1CCSC1 ZINC001598061618 990334925 /nfs/dbraw/zinc/33/49/25/990334925.db2.gz JLXPJZXDKIUSDY-SNVBAGLBSA-N -1 0 336.438 3.569 20 0 EHADRM CC(C)(CC(F)(F)F)NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001590649291 990337835 /nfs/dbraw/zinc/33/78/35/990337835.db2.gz WTFXXKCNBYJTMD-UHFFFAOYSA-N -1 0 340.248 3.516 20 0 EHADRM CC(C)(CC1CCCCCC1)NC(=O)CCCn1ccc(C(=O)[O-])n1 ZINC001590654663 990347803 /nfs/dbraw/zinc/34/78/03/990347803.db2.gz RQBMFXYWCQYFRU-UHFFFAOYSA-N -1 0 349.475 3.617 20 0 EHADRM CN(C(=O)c1cc(C(=O)[O-])ccc1Cl)c1nsc2ccccc21 ZINC001598079342 990393817 /nfs/dbraw/zinc/39/38/17/990393817.db2.gz NSSNJTYOTJHZGP-UHFFFAOYSA-N -1 0 346.795 3.925 20 0 EHADRM CN(C(=O)c1ccc(C(F)(F)F)c(F)c1)c1ccccc1C(=O)[O-] ZINC001598082755 990402308 /nfs/dbraw/zinc/40/23/08/990402308.db2.gz HGXZOKHRAJVCGP-UHFFFAOYSA-N -1 0 341.260 3.819 20 0 EHADRM CC(C)(CCNc1nc(-c2cc(Cl)cc(Cl)c2)no1)C(=O)[O-] ZINC001590693517 990408871 /nfs/dbraw/zinc/40/88/71/990408871.db2.gz RFSNTVZKMUEDHQ-UHFFFAOYSA-N -1 0 344.198 3.956 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccc(F)cc1Cl ZINC001598083517 990412594 /nfs/dbraw/zinc/41/25/94/990412594.db2.gz YIAVYKGQCZXCFL-UHFFFAOYSA-N -1 0 325.698 3.593 20 0 EHADRM CC(C)(CNC(=O)Cc1csc2ccc(Cl)cc12)CC(=O)[O-] ZINC001590713650 990470132 /nfs/dbraw/zinc/47/01/32/990470132.db2.gz YMLFCQJUTLVRGH-UHFFFAOYSA-N -1 0 339.844 3.714 20 0 EHADRM CC(C)(CNC(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1)CC(=O)[O-] ZINC001590723769 990506171 /nfs/dbraw/zinc/50/61/71/990506171.db2.gz DMGJFDSCWAJQFU-HZPDHXFCSA-N -1 0 332.444 3.513 20 0 EHADRM CC(C)(CNC(=O)Nc1cc(C(=O)[O-])cnc1Cl)C1CCCC1 ZINC001590726790 990521621 /nfs/dbraw/zinc/52/16/21/990521621.db2.gz BHXFSWDPRSEXPP-UHFFFAOYSA-N -1 0 339.823 3.771 20 0 EHADRM CC(C)(CNC(=O)c1cc(C(=O)[O-])ccn1)c1ccc2ccccc2c1 ZINC001590747377 990545959 /nfs/dbraw/zinc/54/59/59/990545959.db2.gz VGQYNBKFVJHACT-UHFFFAOYSA-N -1 0 348.402 3.641 20 0 EHADRM CC(C)(Cc1ccccc1)c1noc([C@H]2CCC[C@H](C(=O)[O-])C2)n1 ZINC001590827039 990671882 /nfs/dbraw/zinc/67/18/82/990671882.db2.gz LJRKYCOSKFSSEJ-GJZGRUSLSA-N -1 0 328.412 3.948 20 0 EHADRM CC(C)(NC(=O)c1ccc(/C=C/C(=O)[O-])o1)c1ccc(Cl)cc1 ZINC001590861363 990751696 /nfs/dbraw/zinc/75/16/96/990751696.db2.gz ACJFOBVTUZVVTF-CSKARUKUSA-N -1 0 333.771 3.696 20 0 EHADRM CC(C)(NC(=O)c1cccc(C2CCCC2)c1)c1cc(C(=O)[O-])on1 ZINC001590864208 990757334 /nfs/dbraw/zinc/75/73/34/990757334.db2.gz VZIVGKJNOKGGGB-UHFFFAOYSA-N -1 0 342.395 3.696 20 0 EHADRM CC(C)(c1ccc(F)cc1)C1(NC(=O)c2ccc(C(=O)[O-])s2)CC1 ZINC001590908083 990874483 /nfs/dbraw/zinc/87/44/83/990874483.db2.gz AOEFPKKASQAFOH-UHFFFAOYSA-N -1 0 347.411 3.826 20 0 EHADRM CC(C)=CCN(Cc1ccc(Cl)cc1)c1ncc(C(=O)[O-])cn1 ZINC001590920740 990906636 /nfs/dbraw/zinc/90/66/36/990906636.db2.gz FTYXIWNZAQYNCO-UHFFFAOYSA-N -1 0 331.803 3.801 20 0 EHADRM COc1cccc(SCCN2CCCc3c(C(=O)[O-])cccc32)c1 ZINC001599683978 990956227 /nfs/dbraw/zinc/95/62/27/990956227.db2.gz JOFQGSQXMZLLRQ-UHFFFAOYSA-N -1 0 343.448 3.938 20 0 EHADRM COc1cccc2c1CC[C@@H]2OC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001599690653 991063783 /nfs/dbraw/zinc/06/37/83/991063783.db2.gz OGOMDGIXWGCQMS-INIZCTEOSA-N -1 0 332.396 3.651 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001599696747 991159799 /nfs/dbraw/zinc/15/97/99/991159799.db2.gz FHPNRLHVJRNNSZ-JLHYYAGUSA-N -1 0 325.364 3.744 20 0 EHADRM COc1ccccc1[C@H](C)SCSc1nccc(C(=O)[O-])n1 ZINC001599697091 991164681 /nfs/dbraw/zinc/16/46/81/991164681.db2.gz BWIMQBGSIKPJBN-JTQLQIEISA-N -1 0 336.438 3.727 20 0 EHADRM COc1ccccc1[C@@H](C)SCC(=O)c1cc(C(=O)[O-])[nH]c1C ZINC001599698832 991189026 /nfs/dbraw/zinc/18/90/26/991189026.db2.gz RUHGQXXPMXPGOC-LLVKDONJSA-N -1 0 333.409 3.707 20 0 EHADRM COc1ccccc1[C@@H](CC(C)C)OC(=O)c1ccoc1CC(=O)[O-] ZINC001599699318 991195583 /nfs/dbraw/zinc/19/55/83/991195583.db2.gz WRGOAWVXESOCIR-QGZVFWFLSA-N -1 0 346.379 3.860 20 0 EHADRM COc1ccccc1[C@@]1(C)C[C@@H]1Nc1ncc(C(=O)[O-])cc1Cl ZINC001599702314 991238048 /nfs/dbraw/zinc/23/80/48/991238048.db2.gz LNESYLFCUKIYAE-WMLDXEAASA-N -1 0 332.787 3.584 20 0 EHADRM COc1ccccc1C1(C(=O)Nc2scc(C(=O)[O-])c2C)CCC1 ZINC001599702967 991248844 /nfs/dbraw/zinc/24/88/44/991248844.db2.gz WJAVWCYTIYQFNN-UHFFFAOYSA-N -1 0 345.420 3.824 20 0 EHADRM CC(C)[C@H](NC(=O)NCCCCCCC(=O)[O-])c1ccc(F)cc1 ZINC001591013361 991283049 /nfs/dbraw/zinc/28/30/49/991283049.db2.gz NJPBYZNFZZOHMB-KRWDZBQOSA-N -1 0 338.423 3.857 20 0 EHADRM CC(C)[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2)c1)C(=O)[O-] ZINC001591019162 991302683 /nfs/dbraw/zinc/30/26/83/991302683.db2.gz FXCFZVFHJJHPOD-INIZCTEOSA-N -1 0 347.798 3.971 20 0 EHADRM CN(C)c1ccc(OC(=O)OCc2cccc(Cl)c2)cc1C(=O)[O-] ZINC001598329097 991360031 /nfs/dbraw/zinc/36/00/31/991360031.db2.gz KALCPYJEAFKKMK-UHFFFAOYSA-N -1 0 349.770 3.820 20 0 EHADRM CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)c1cncc(C(=O)[O-])c1 ZINC001591058564 991473833 /nfs/dbraw/zinc/47/38/33/991473833.db2.gz QFXWOJRGYRELCZ-INIZCTEOSA-N -1 0 346.814 3.903 20 0 EHADRM CC(C)C1(C)CCN(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)CC1 ZINC001591062592 991509988 /nfs/dbraw/zinc/50/99/88/991509988.db2.gz YOOVNEKDPMIKFT-UHFFFAOYSA-N -1 0 344.415 3.551 20 0 EHADRM CC(C)[C@H]1C[C@H](CC(=O)Oc2cc(Cl)ccc2C(=O)[O-])CCO1 ZINC001591072038 991533199 /nfs/dbraw/zinc/53/31/99/991533199.db2.gz JODAYBBUUDSNTF-BXUZGUMPSA-N -1 0 340.803 3.785 20 0 EHADRM CC(C)C1CCN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])CC1 ZINC001591092745 991648404 /nfs/dbraw/zinc/64/84/04/991648404.db2.gz VYOUCHNVKSYWPL-KRWDZBQOSA-N -1 0 346.471 3.916 20 0 EHADRM CC(C)[C@@H]1N(C(=O)C23CCC(C(=O)[O-])(CC2)C3)CC12CCCCC2 ZINC001591098263 991697843 /nfs/dbraw/zinc/69/78/43/991697843.db2.gz AKQYVCWLNVSUGN-MNNVXMFVSA-N -1 0 333.472 3.839 20 0 EHADRM CC(C)[C@H]1N(Cc2oc(Br)cc2C(=O)[O-])CC12CCC2 ZINC001591099240 991708657 /nfs/dbraw/zinc/70/86/57/991708657.db2.gz JBTFZFKDSAXPBC-CYBMUJFWSA-N -1 0 342.233 3.751 20 0 EHADRM COc1ncc(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])cc1Cl ZINC001599732675 991729689 /nfs/dbraw/zinc/72/96/89/991729689.db2.gz CZSAQZMPXLWFLI-UHFFFAOYSA-N -1 0 348.786 3.818 20 0 EHADRM CC(C)C[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC001591130479 991821574 /nfs/dbraw/zinc/82/15/74/991821574.db2.gz IMAHVIAVMIHWCU-SNVBAGLBSA-N -1 0 347.333 3.947 20 0 EHADRM CC(C)C[C@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC001591130478 991821604 /nfs/dbraw/zinc/82/16/04/991821604.db2.gz IMAHVIAVMIHWCU-JTQLQIEISA-N -1 0 347.333 3.947 20 0 EHADRM CC(C)C[C@@H](C)OCCC(=O)Nc1cccc(C(=O)[O-])c1Cl ZINC001591139032 991861880 /nfs/dbraw/zinc/86/18/80/991861880.db2.gz XMZZYTAUMICREO-LLVKDONJSA-N -1 0 327.808 3.818 20 0 EHADRM CC(C)C[C@H](C)n1nccc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001591139140 991863090 /nfs/dbraw/zinc/86/30/90/991863090.db2.gz ZBCWNNLLIPQNSE-AWEZNQCLSA-N -1 0 335.448 3.854 20 0 EHADRM CC(C)C[C@@H](CNC(=O)/C=C\c1ccccc1C(F)(F)F)C(=O)[O-] ZINC001591146670 991884101 /nfs/dbraw/zinc/88/41/01/991884101.db2.gz IYPMOSIRGKFOKN-WSROAFLRSA-N -1 0 343.345 3.582 20 0 EHADRM CN(C[C@H]1CC1(C)C)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001598447886 991892582 /nfs/dbraw/zinc/89/25/82/991892582.db2.gz JYKCDOUOCSUDIN-CABCVRRESA-N -1 0 332.444 3.526 20 0 EHADRM CN(C[C@H]1CC=CCC1)C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001598453390 991912909 /nfs/dbraw/zinc/91/29/09/991912909.db2.gz HDTWVWKGYURODT-ZDUSSCGKSA-N -1 0 339.395 3.753 20 0 EHADRM CC(C)C[C@H](NC(=O)Nc1ccc(C(=O)[O-])nc1)c1ccccc1 ZINC001591177180 991970993 /nfs/dbraw/zinc/97/09/93/991970993.db2.gz CQCHVFMPYAJRFI-INIZCTEOSA-N -1 0 327.384 3.689 20 0 EHADRM CC(C)C[C@H](Sc1nnc(-c2cccc(Cl)c2)o1)C(=O)[O-] ZINC001591190948 991998135 /nfs/dbraw/zinc/99/81/35/991998135.db2.gz GRLLEHWSWQCHCV-NSHDSACASA-N -1 0 326.805 3.981 20 0 EHADRM CC(C)CC1(C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)CCCC1 ZINC001591191732 992004580 /nfs/dbraw/zinc/00/45/80/992004580.db2.gz DWXQCFJPBTXXOY-MRXNPFEDSA-N -1 0 335.419 3.717 20 0 EHADRM CC(C)C[C@H]1CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC001591207703 992044795 /nfs/dbraw/zinc/04/47/95/992044795.db2.gz WVTVDDWOHLBJJX-XOKHGSTOSA-N -1 0 330.428 3.775 20 0 EHADRM CCN(C(=O)c1c([O-])cnc2c(F)cccc21)c1ccccc1OC ZINC001625821834 1015681377 /nfs/dbraw/zinc/68/13/77/1015681377.db2.gz VXVVBVDCYWVCCA-UHFFFAOYSA-N -1 0 340.354 3.755 20 0 EHADRM CC(C)CC[C@H]1CCC[C@H]1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001591223367 992096517 /nfs/dbraw/zinc/09/65/17/992096517.db2.gz YCKJBZRXXZFQIJ-IAGOWNOFSA-N -1 0 338.492 3.878 20 0 EHADRM CC(C)CCCCC(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001591228355 992103781 /nfs/dbraw/zinc/10/37/81/992103781.db2.gz DWQBZKHFAQKMJT-INIZCTEOSA-N -1 0 331.412 3.761 20 0 EHADRM CC(C)CCC[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC001591228390 992104836 /nfs/dbraw/zinc/10/48/36/992104836.db2.gz FOJCCMKALVUYBY-NSHDSACASA-N -1 0 347.864 3.531 20 0 EHADRM CC(C)CCCCNC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001591236585 992118981 /nfs/dbraw/zinc/11/89/81/992118981.db2.gz LTXPSURJJRUHBD-MRXNPFEDSA-N -1 0 334.460 3.964 20 0 EHADRM CC(C)CCN(C(=O)NCc1ccc(C(=O)[O-])s1)C1CCCC1 ZINC001591240244 992129484 /nfs/dbraw/zinc/12/94/84/992129484.db2.gz LJBDERNPFMVZSN-UHFFFAOYSA-N -1 0 338.473 3.947 20 0 EHADRM CC(C)CCc1ccccc1NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001591269858 992186915 /nfs/dbraw/zinc/18/69/15/992186915.db2.gz KJZWENBEMBZWBU-DOTOQJQBSA-N -1 0 333.428 3.626 20 0 EHADRM CN(CCCc1ccccc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001598485616 992202881 /nfs/dbraw/zinc/20/28/81/992202881.db2.gz RIUDQZMAVLHFPA-UHFFFAOYSA-N -1 0 348.349 3.760 20 0 EHADRM CC(C)CCn1ccc(NC(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)n1 ZINC001591277547 992203012 /nfs/dbraw/zinc/20/30/12/992203012.db2.gz XGJUGFYVESRMFD-CYBMUJFWSA-N -1 0 344.415 3.761 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CCCc1ccsc1 ZINC001591309152 992265107 /nfs/dbraw/zinc/26/51/07/992265107.db2.gz NJBFXGLRFSBMNS-UHFFFAOYSA-N -1 0 325.474 3.666 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001591309258 992265817 /nfs/dbraw/zinc/26/58/17/992265817.db2.gz QSBRPPQBNBNRPH-JKSUJKDBSA-N -1 0 335.419 3.525 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])c1ccnc(-c2ccccc2)n1 ZINC001591313540 992277707 /nfs/dbraw/zinc/27/77/07/992277707.db2.gz BPADVISFCYRRLE-UHFFFAOYSA-N -1 0 327.428 3.717 20 0 EHADRM CC(C)CN(Cc1ccccn1)c1nc(Cl)c(C(=O)[O-])s1 ZINC001591349327 992334440 /nfs/dbraw/zinc/33/44/40/992334440.db2.gz JEVPMWLQCGJIPZ-UHFFFAOYSA-N -1 0 325.821 3.552 20 0 EHADRM CS[C@H](C(=O)N(CCC(=O)[O-])c1cccc(F)c1)c1ccccc1 ZINC001599780792 992361936 /nfs/dbraw/zinc/36/19/36/992361936.db2.gz MFODRXCPEXWTLS-KRWDZBQOSA-N -1 0 347.411 3.738 20 0 EHADRM CS[C@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC001599783114 992391354 /nfs/dbraw/zinc/39/13/54/992391354.db2.gz CZQGBPMOUKKLHA-CXAGYDPISA-N -1 0 343.448 3.737 20 0 EHADRM CC(C)CO[C@@H](C)C(=O)Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1 ZINC001591384565 992432598 /nfs/dbraw/zinc/43/25/98/992432598.db2.gz IMHCIFOPCTXAQY-NSHDSACASA-N -1 0 348.424 3.508 20 0 EHADRM Cc1ccc(Cc2n[n-]c(=NC(=O)N3CCC[C@@H](C)[C@@H]3C)s2)cc1 ZINC000510140565 1015708234 /nfs/dbraw/zinc/70/82/34/1015708234.db2.gz SNDXPTIOEIJAMR-KGLIPLIRSA-N -1 0 344.484 3.512 20 0 EHADRM CC(C)COc1ccc(C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001591396805 992462125 /nfs/dbraw/zinc/46/21/25/992462125.db2.gz RYPVKIXMSWQYOZ-GOSISDBHSA-N -1 0 347.455 3.732 20 0 EHADRM CN(Cc1c(F)cccc1Cl)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001598505259 992495397 /nfs/dbraw/zinc/49/53/97/992495397.db2.gz HDGZBZGRFZDKDC-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM CC(C)C[C@@H]1C[C@H]1NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001591444837 992544239 /nfs/dbraw/zinc/54/42/39/992544239.db2.gz YHQWWUKKXXXHJG-OAGGEKHMSA-N -1 0 332.444 3.572 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CCc1cnc2ccccc2c1 ZINC001598509684 992554251 /nfs/dbraw/zinc/55/42/51/992554251.db2.gz AUDYKMPGTBMEEA-UHFFFAOYSA-N -1 0 348.402 3.524 20 0 EHADRM CC(C)Cc1c[nH]c(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC001591475681 992590481 /nfs/dbraw/zinc/59/04/81/992590481.db2.gz BZOCHCHHNRPZAW-HNNXBMFYSA-N -1 0 348.830 3.812 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC001591484149 992608327 /nfs/dbraw/zinc/60/83/27/992608327.db2.gz SNNVMEZORPECJR-OAHLLOKOSA-N -1 0 331.456 3.529 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)N[C@H](CC(C)(C)C)C(=O)[O-])c1 ZINC001591489356 992619822 /nfs/dbraw/zinc/61/98/22/992619822.db2.gz QMDMZBTVOARJAP-RHSMWYFYSA-N -1 0 333.472 3.994 20 0 EHADRM CC(C)Cc1nc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cs1 ZINC001591490937 992626230 /nfs/dbraw/zinc/62/62/30/992626230.db2.gz OGWSGXWSJUTTCL-WBMJQRKESA-N -1 0 346.452 3.533 20 0 EHADRM O=C(Nc1cnc2ccccc2c1)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000339836447 1015730361 /nfs/dbraw/zinc/73/03/61/1015730361.db2.gz QOTOZQFJOQXGLV-UHFFFAOYSA-N -1 0 348.337 3.518 20 0 EHADRM C[C@@H](NC(=O)NC[C@H](CC(=O)[O-])C1CC1)c1csc2ccccc21 ZINC001593082133 993667962 /nfs/dbraw/zinc/66/79/62/993667962.db2.gz MEMAAQXSTVGZBJ-YPMHNXCESA-N -1 0 346.452 3.762 20 0 EHADRM COc1ccc(NC(=O)CCc2ccc(Cl)cc2)c(C(=O)[O-])c1 ZINC001599591318 993687068 /nfs/dbraw/zinc/68/70/68/993687068.db2.gz RFKTYSSHMAGHDU-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM C[C@H](NC(=O)NCCCC1CCCCC1)c1ncc(C(=O)[O-])s1 ZINC001593089350 993705280 /nfs/dbraw/zinc/70/52/80/993705280.db2.gz SYPSBNNSKSCFOK-NSHDSACASA-N -1 0 339.461 3.562 20 0 EHADRM C[C@@H](NC(=O)NCCCCCC(=O)[O-])C1(c2ccccc2)CCCC1 ZINC001593094095 993711534 /nfs/dbraw/zinc/71/15/34/993711534.db2.gz GTQCTZZPDQTTEF-MRXNPFEDSA-N -1 0 346.471 3.831 20 0 EHADRM COc1ccc(NC(=O)c2cnc(CC(C)(C)C)s2)c(C(=O)[O-])c1 ZINC001599596035 993749602 /nfs/dbraw/zinc/74/96/02/993749602.db2.gz XBHUNHLMQRQVIV-UHFFFAOYSA-N -1 0 348.424 3.691 20 0 EHADRM COc1ccc(NC(=O)c2ccc(F)c(Cl)c2F)c(C(=O)[O-])c1 ZINC001599596172 993751110 /nfs/dbraw/zinc/75/11/10/993751110.db2.gz BEVPYXGWSHJACT-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM COc1ccc(OC(=O)c2ccc(/C=C/C(=O)[O-])o2)c(C(C)(C)C)c1 ZINC001599601118 993816852 /nfs/dbraw/zinc/81/68/52/993816852.db2.gz XHXAWOQLKJWUGK-JXMROGBWSA-N -1 0 344.363 3.903 20 0 EHADRM C[C@H](N[C@H](C(=O)[O-])c1ccc(F)cc1)c1nc(C(F)(F)F)cs1 ZINC001593194205 994130960 /nfs/dbraw/zinc/13/09/60/994130960.db2.gz BFLPZZKTZGCKAE-CPCISQLKSA-N -1 0 348.321 3.778 20 0 EHADRM COc1ccc2c(c1)CC[C@@H](C(=O)Nc1scc(C(=O)[O-])c1C)C2 ZINC001599625413 994141357 /nfs/dbraw/zinc/14/13/57/994141357.db2.gz CKLTURNOFCJVSG-CYBMUJFWSA-N -1 0 345.420 3.507 20 0 EHADRM COc1ccc2c(CC(=O)Oc3cccc(C(=O)[O-])c3)coc2c1C ZINC001599625976 994148599 /nfs/dbraw/zinc/14/85/99/994148599.db2.gz NHXPEZFIUFNUNW-UHFFFAOYSA-N -1 0 340.331 3.596 20 0 EHADRM C[C@H](N[C@@H](C)c1c(F)cccc1F)c1ccccc1OCC(=O)[O-] ZINC001593198193 994168678 /nfs/dbraw/zinc/16/86/78/994168678.db2.gz ODQNSYWZCUQLAN-RYUDHWBXSA-N -1 0 335.350 3.840 20 0 EHADRM COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1ccsc1C(=O)[O-] ZINC001599628760 994186405 /nfs/dbraw/zinc/18/64/05/994186405.db2.gz UKIYZDVESQCWKC-LBPRGKRZSA-N -1 0 345.420 3.904 20 0 EHADRM COc1ccc2c(c1)CCN2C(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001599628923 994188739 /nfs/dbraw/zinc/18/87/39/994188739.db2.gz AZUPZRMUYJVHJY-UHFFFAOYSA-N -1 0 346.408 3.666 20 0 EHADRM CN1c2ccccc2C(=O)N[C@H]1c1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001598632528 994192864 /nfs/dbraw/zinc/19/28/64/994192864.db2.gz GYHOJJFSMCDMDK-GOSISDBHSA-N -1 0 348.358 3.523 20 0 EHADRM COc1ccc2ccccc2c1CNC(=O)c1ccsc1C(=O)[O-] ZINC001599635154 994276374 /nfs/dbraw/zinc/27/63/74/994276374.db2.gz IUCORWSFXMRBLE-UHFFFAOYSA-N -1 0 341.388 3.538 20 0 EHADRM COc1ccc2cc(C(=O)Oc3ccccc3CC(=O)[O-])ccc2c1 ZINC001599635566 994282257 /nfs/dbraw/zinc/28/22/57/994282257.db2.gz TWWLOBUZJKGWJC-UHFFFAOYSA-N -1 0 336.343 3.695 20 0 EHADRM COc1ccc2cc(/C=C\C(=O)Nc3ccc(C(=O)[O-])cn3)ccc2c1 ZINC001599635538 994282456 /nfs/dbraw/zinc/28/24/56/994282456.db2.gz RICLRCWJRNVXRE-OQFOIZHKSA-N -1 0 348.358 3.594 20 0 EHADRM COc1cccc(-c2nc(COc3cc(C(=O)[O-])ccc3C)co2)c1 ZINC001599638967 994331556 /nfs/dbraw/zinc/33/15/56/994331556.db2.gz IXENVYXSUMHENK-UHFFFAOYSA-N -1 0 339.347 3.936 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@]2(C)CCc3ccccc3C2)cc1 ZINC000076756196 1015854802 /nfs/dbraw/zinc/85/48/02/1015854802.db2.gz ZASXHMVLWPGWOR-LJQANCHMSA-N -1 0 343.448 3.835 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)c1ccc(CC(C)C)s1 ZINC001599643404 994389949 /nfs/dbraw/zinc/38/99/49/994389949.db2.gz IOVCFLFSNRWPSD-UHFFFAOYSA-N -1 0 347.436 3.930 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1ccsc1C(F)(F)F ZINC001599643581 994392170 /nfs/dbraw/zinc/39/21/70/994392170.db2.gz JWIZYOBEAACXRB-UHFFFAOYSA-N -1 0 346.282 3.693 20 0 EHADRM COc1cccc(C(=O)[O-])c1CSCc1nc2ccccc2[nH]1 ZINC001599643711 994393953 /nfs/dbraw/zinc/39/39/53/994393953.db2.gz ADKLTNOVOFXFKP-UHFFFAOYSA-N -1 0 328.393 3.703 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1cc(C2CC2)cnc1Cl ZINC001599644003 994398458 /nfs/dbraw/zinc/39/84/58/994398458.db2.gz QYRBGYFCKDXDEB-UHFFFAOYSA-N -1 0 347.754 3.538 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)C[C@@H](C)c1ccccc1C ZINC001599645737 994422807 /nfs/dbraw/zinc/42/28/07/994422807.db2.gz LVSZZRACEPONDF-CQSZACIVSA-N -1 0 341.407 3.858 20 0 EHADRM C[C@@H](NCC(F)(F)c1ccccc1)c1ccccc1OCC(=O)[O-] ZINC001593246866 994459395 /nfs/dbraw/zinc/45/93/95/994459395.db2.gz OSYXTWMYRQZZTA-CYBMUJFWSA-N -1 0 335.350 3.593 20 0 EHADRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)[C@H]2CCC=CCCC2)c1 ZINC001599648717 994462787 /nfs/dbraw/zinc/46/27/87/994462787.db2.gz BXIUHHRNFZUAAK-YWZLYKJASA-N -1 0 345.439 3.638 20 0 EHADRM CCC(C)(C)CS(=O)(=O)[N-][C@@H](c1cc(F)ccc1F)C(F)F ZINC000625174329 1015865677 /nfs/dbraw/zinc/86/56/77/1015865677.db2.gz XUSGLEOMNVPLPM-LBPRGKRZSA-N -1 0 341.370 3.627 20 0 EHADRM COc1cccc(/C(C)=C\C(=O)Nc2c(F)cccc2C(=O)[O-])c1 ZINC001599654661 994559282 /nfs/dbraw/zinc/55/92/82/994559282.db2.gz WQZCRBZMNPLFBI-LUAWRHEFSA-N -1 0 329.327 3.575 20 0 EHADRM COc1cccc(C(F)F)c1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001599657340 994603059 /nfs/dbraw/zinc/60/30/59/994603059.db2.gz MYHMBTVKYTYOBH-UHFFFAOYSA-N -1 0 339.269 3.722 20 0 EHADRM C[C@@H](NCc1cc(C(=O)[O-])co1)c1nc(-c2ccc(Cl)cc2)no1 ZINC001593289587 994664653 /nfs/dbraw/zinc/66/46/53/994664653.db2.gz VDQUAGBGHCWSRA-SECBINFHSA-N -1 0 347.758 3.532 20 0 EHADRM C[C@H](NCc1ccc(C(=O)[O-])cn1)c1cccc(Cl)c1Cl ZINC001593296285 994696806 /nfs/dbraw/zinc/69/68/06/994696806.db2.gz LPXIAAUDOUQGBV-VIFPVBQESA-N -1 0 325.195 3.937 20 0 EHADRM COc1cccc([C@@H]2CCCN2C(=O)Nc2ccccc2C(=O)[O-])c1 ZINC001599664376 994705907 /nfs/dbraw/zinc/70/59/07/994705907.db2.gz FJNVKEYYDJYYIN-KRWDZBQOSA-N -1 0 340.379 3.762 20 0 EHADRM C[C@](NCc1nc2ccc(F)cc2s1)(C(=O)[O-])c1ccccc1 ZINC001593317298 994817929 /nfs/dbraw/zinc/81/79/29/994817929.db2.gz OHGROFAPZSRLHF-QGZVFWFLSA-N -1 0 330.384 3.525 20 0 EHADRM COc1cccc(CNC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1C ZINC001599673497 994856141 /nfs/dbraw/zinc/85/61/41/994856141.db2.gz LKMKJSATXNQVDH-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM CNc1ccc(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)cc1F ZINC001598678245 994883517 /nfs/dbraw/zinc/88/35/17/994883517.db2.gz BGNIMCOYNHURPB-UHFFFAOYSA-N -1 0 340.713 3.610 20 0 EHADRM COc1cccc(CNc2cccc(C(=O)[O-])c2Br)c1 ZINC001599675785 994894628 /nfs/dbraw/zinc/89/46/28/994894628.db2.gz XUPAQSUDEUZIDO-UHFFFAOYSA-N -1 0 336.185 3.768 20 0 EHADRM COc1cccc(Cl)c1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001599677101 994916088 /nfs/dbraw/zinc/91/60/88/994916088.db2.gz TXXBNIGVLXQUAP-UHFFFAOYSA-N -1 0 325.792 3.712 20 0 EHADRM COc1cccc(Nc2nnc(SCCCCC(=O)[O-])s2)c1 ZINC001599680557 994974380 /nfs/dbraw/zinc/97/43/80/994974380.db2.gz XRACNOCCCVWLHM-UHFFFAOYSA-N -1 0 339.442 3.637 20 0 EHADRM CO/C(=C/c1ccccc1)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001598684415 994985245 /nfs/dbraw/zinc/98/52/45/994985245.db2.gz KPEYWWXEXYSXCH-OQLLNIDSSA-N -1 0 331.755 3.664 20 0 EHADRM C[C@H](Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001593365646 995042821 /nfs/dbraw/zinc/04/28/21/995042821.db2.gz DPXNTBHNFRYBOP-CQDKDKBSSA-N -1 0 346.427 3.505 20 0 EHADRM C[C@@H](Nc1nc(Cl)nc2ccccc21)c1ncc(C(=O)[O-])s1 ZINC001593374192 995072093 /nfs/dbraw/zinc/07/20/93/995072093.db2.gz PVUOPBBJAMVSIG-SSDOTTSWSA-N -1 0 334.788 3.611 20 0 EHADRM C[C@H](OC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(C(F)(F)F)cn1 ZINC001593500702 995500468 /nfs/dbraw/zinc/50/04/68/995500468.db2.gz ILJTWEPIQVAZPF-HBNTYKKESA-N -1 0 345.317 3.596 20 0 EHADRM C[C@H](OC(=O)CC1(CC(=O)[O-])CCCC1)c1nc2ccccc2n1C ZINC001593512963 995519581 /nfs/dbraw/zinc/51/95/81/995519581.db2.gz BEGPSFQSHBDOJX-ZDUSSCGKSA-N -1 0 344.411 3.603 20 0 EHADRM C[C@H](OC(=O)Cc1ccc(-n2cccc2)cc1)c1cc(C(=O)[O-])co1 ZINC001593534864 995592499 /nfs/dbraw/zinc/59/24/99/995592499.db2.gz JSBFKYSOEYITSF-ZDUSSCGKSA-N -1 0 339.347 3.615 20 0 EHADRM C[C@H](OC(=O)c1c[nH]c(C(=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC001593553197 995633148 /nfs/dbraw/zinc/63/31/48/995633148.db2.gz LMCXVCMNRADQKT-QMMMGPOBSA-N -1 0 327.258 3.650 20 0 EHADRM C[C@@H](OC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ncc(-c2ccccc2)o1 ZINC001593566862 995664631 /nfs/dbraw/zinc/66/46/31/995664631.db2.gz WETUBUNKVLMNCD-BPLDGKMQSA-N -1 0 343.379 3.837 20 0 EHADRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])c(F)c1)c1csc(C2CC2)n1 ZINC001593574792 995680484 /nfs/dbraw/zinc/68/04/84/995680484.db2.gz MUXHPQVPQNASAK-MRVPVSSYSA-N -1 0 335.356 3.776 20 0 EHADRM C[C@H](OCc1ccccc1)C(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC001593610537 995802065 /nfs/dbraw/zinc/80/20/65/995802065.db2.gz BUZUEOGNXALUOU-NSHDSACASA-N -1 0 334.755 3.549 20 0 EHADRM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC1(CC(=O)[O-])CCCC1 ZINC001593612204 995813828 /nfs/dbraw/zinc/81/38/28/995813828.db2.gz MYKJHRPFEHAXQD-AWEZNQCLSA-N -1 0 347.455 3.655 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)C[C@H]2CCCC[C@H]2C)cc1F)C(=O)[O-] ZINC001593624221 995884784 /nfs/dbraw/zinc/88/47/84/995884784.db2.gz HYXSUOUZAWRGRN-FRRDWIJNSA-N -1 0 337.391 3.833 20 0 EHADRM C[C@@H](Oc1ccc(NC(=O)C2(C)CCCCCC2)cc1F)C(=O)[O-] ZINC001593624521 995887937 /nfs/dbraw/zinc/88/79/37/995887937.db2.gz PFYWCLMJMQIISY-GFCCVEGCSA-N -1 0 337.391 3.977 20 0 EHADRM C[C@@H](Oc1cccc2ccccc21)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001593640454 995945685 /nfs/dbraw/zinc/94/56/85/995945685.db2.gz GVWGZVUNWKKERR-CQSZACIVSA-N -1 0 349.386 3.622 20 0 EHADRM C[C@H](Oc1cccc2ccccc21)C(=O)Oc1ccc(C(=O)[O-])cc1 ZINC001593641138 995948959 /nfs/dbraw/zinc/94/89/59/995948959.db2.gz WEHGWQDVLPTNED-ZDUSSCGKSA-N -1 0 336.343 3.911 20 0 EHADRM C[C@H](Oc1ccccc1CNc1cccc(OC(F)F)c1)C(=O)[O-] ZINC001593650428 996005395 /nfs/dbraw/zinc/00/53/95/996005395.db2.gz APJSYAPNJQZXDV-NSHDSACASA-N -1 0 337.322 3.752 20 0 EHADRM C[C@@H](Oc1ccccc1Cl)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC001593651903 996014597 /nfs/dbraw/zinc/01/45/97/996014597.db2.gz SFKUNIDAYLWXHP-VHSXEESVSA-N -1 0 338.743 3.703 20 0 EHADRM C[C@@H](S[C@H](C(=O)[O-])c1ccccc1Cl)C(=O)OC(C)(C)C ZINC001593658587 996032957 /nfs/dbraw/zinc/03/29/57/996032957.db2.gz KFFIMFDMUWVHOY-SKDRFNHKSA-N -1 0 330.833 3.929 20 0 EHADRM C[C@H](Sc1ccc(F)cc1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001593667756 996059795 /nfs/dbraw/zinc/05/97/95/996059795.db2.gz SVTBORTUQVZWJN-LBPRGKRZSA-N -1 0 347.411 3.962 20 0 EHADRM C[C@H](Sc1ncccc1C(=O)[O-])c1nnc(-c2cccs2)o1 ZINC001593678149 996089923 /nfs/dbraw/zinc/08/99/23/996089923.db2.gz DJTREKKYOLUOOE-QMMMGPOBSA-N -1 0 333.394 3.745 20 0 EHADRM C[C@@H](Cc1ccsc1)NC(=O)c1cccc(Br)c1[O-] ZINC000536689580 1032135162 /nfs/dbraw/zinc/13/51/62/1032135162.db2.gz CADWHKHRJICJIS-VIFPVBQESA-N -1 0 340.242 3.577 20 0 EHADRM C[C@H](c1ccc(F)cc1)N(C)C(=O)c1ccccc1CCC(=O)[O-] ZINC001593697582 996157219 /nfs/dbraw/zinc/15/72/19/996157219.db2.gz LXJMERXGKCGQLS-CYBMUJFWSA-N -1 0 329.371 3.676 20 0 EHADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001593699778 996172797 /nfs/dbraw/zinc/17/27/97/996172797.db2.gz ZBSZPBYJMRABQZ-GFCCVEGCSA-N -1 0 331.799 3.800 20 0 EHADRM Cc1ccc(C[C@@H]2CCCN(C(=O)CC(C)(C)CC(=O)[O-])C2)cc1 ZINC000683303000 1016017758 /nfs/dbraw/zinc/01/77/58/1016017758.db2.gz YNZGSMYIMYZNIA-KRWDZBQOSA-N -1 0 331.456 3.667 20 0 EHADRM C[C@H](c1ncc(C(=O)[O-])s1)N(Cc1ccccc1)CC(F)F ZINC001593732022 996306986 /nfs/dbraw/zinc/30/69/86/996306986.db2.gz MCKYYZXTGVGVJC-SNVBAGLBSA-N -1 0 326.368 3.670 20 0 EHADRM C[C@@]1(C(=O)Nc2cccc(C(=O)[O-])c2Br)CC=CCC1 ZINC001593762102 996427547 /nfs/dbraw/zinc/42/75/47/996427547.db2.gz XPGCZEMDDJMXIS-OAHLLOKOSA-N -1 0 338.201 3.832 20 0 EHADRM CC1(C)C[C@@H](C(=O)O[C@H]2CCCc3cc(C(=O)[O-])ccc32)CCO1 ZINC001593848074 996617283 /nfs/dbraw/zinc/61/72/83/996617283.db2.gz HJFMUGKZBSFZSE-HOCLYGCPSA-N -1 0 332.396 3.511 20 0 EHADRM CC1(C)C[C@@H](C(=O)Nc2cc(Cl)c(Cl)cc2C(=O)[O-])CCO1 ZINC001593848425 996619646 /nfs/dbraw/zinc/61/96/46/996619646.db2.gz QKASJMBZSTXVHC-QMMMGPOBSA-N -1 0 346.210 3.835 20 0 EHADRM CC1(C)C[C@H](NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c2ccccc21 ZINC001593856261 996641598 /nfs/dbraw/zinc/64/15/98/996641598.db2.gz AIQBNLBSNDPCCN-YOEHRIQHSA-N -1 0 344.455 3.695 20 0 EHADRM CC1(C)C[C@H](O)c2cccc(NCc3ccc(/C=C\C(=O)[O-])o3)c2O1 ZINC001593861911 996657352 /nfs/dbraw/zinc/65/73/52/996657352.db2.gz NDQVFEZAUSUXKG-QWGSZXSUSA-N -1 0 343.379 3.584 20 0 EHADRM CC1(C)CCC(CNC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC001593878150 996703107 /nfs/dbraw/zinc/70/31/07/996703107.db2.gz MJQAHHSGLQQEES-UZLBHIALSA-N -1 0 329.440 3.578 20 0 EHADRM COC(=O)Cc1ccccc1CSCc1cccc(C(=O)[O-])c1 ZINC001598873042 996747147 /nfs/dbraw/zinc/74/71/47/996747147.db2.gz GUWLHLMLFVHXQD-UHFFFAOYSA-N -1 0 330.405 3.534 20 0 EHADRM CC1(C)CCCC[C@H]1NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001593903518 996774449 /nfs/dbraw/zinc/77/44/49/996774449.db2.gz DICVQVJMPQIRHH-ARFHVFGLSA-N -1 0 330.428 3.965 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCc1nc2cc(Cl)ccc2n1C ZINC001599379319 996806048 /nfs/dbraw/zinc/80/60/48/996806048.db2.gz COKMCQDNYVSMNY-UHFFFAOYSA-N -1 0 346.770 3.513 20 0 EHADRM COc1ccc(C(=O)NCCCCC2(C(=O)[O-])CCC2)c(Cl)c1 ZINC001599483958 996813271 /nfs/dbraw/zinc/81/32/71/996813271.db2.gz IXMPOGBCWQVBQA-UHFFFAOYSA-N -1 0 339.819 3.504 20 0 EHADRM CC1(C)CN(C(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)Cc2ccccc21 ZINC001593926368 996857099 /nfs/dbraw/zinc/85/70/99/996857099.db2.gz CMIRMVYNYCPKQL-PGRDOPGGSA-N -1 0 349.430 3.565 20 0 EHADRM CC1(C)CN(C(=O)Nc2cc(C(=O)[O-])ccc2F)[C@H]1c1cccnc1 ZINC001593934464 996900293 /nfs/dbraw/zinc/90/02/93/996900293.db2.gz KZVGTALLPOHNNO-HNNXBMFYSA-N -1 0 343.358 3.534 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)c2cc3ccccc3o2)c1 ZINC001599489787 996917821 /nfs/dbraw/zinc/91/78/21/996917821.db2.gz QCVHTLYAVPTQLM-NSHDSACASA-N -1 0 339.347 3.882 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2oc3ccccc3c2C)c1F ZINC001599490850 996936663 /nfs/dbraw/zinc/93/66/63/996936663.db2.gz GRKKOKUQRACDLF-UHFFFAOYSA-N -1 0 343.310 3.839 20 0 EHADRM COCc1cc(NC(=O)N(C)c2ccc(C)cc2)cc(C(=O)[O-])c1 ZINC001599284739 996957278 /nfs/dbraw/zinc/95/72/78/996957278.db2.gz GORHAIDSSONEIC-UHFFFAOYSA-N -1 0 328.368 3.508 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1ccc2sccc2c1 ZINC001599387952 996978330 /nfs/dbraw/zinc/97/83/30/996978330.db2.gz YMOPMBQEBXRSBD-UHFFFAOYSA-N -1 0 327.361 3.860 20 0 EHADRM COCc1cc(NC(=O)N[C@@H]2CCC(C)(C)C[C@H]2C)cc(C(=O)[O-])c1 ZINC001599286867 996995079 /nfs/dbraw/zinc/99/50/79/996995079.db2.gz AEWYXXWVADJIJD-MLGOLLRUSA-N -1 0 348.443 3.868 20 0 EHADRM CC1(C)CO[C@@H](CCC(=O)Nc2cc(F)cc(Cl)c2C(=O)[O-])C1 ZINC001593954185 997042047 /nfs/dbraw/zinc/04/20/47/997042047.db2.gz HHVGNPZGIIWKFO-JTQLQIEISA-N -1 0 343.782 3.711 20 0 EHADRM COc1cc(C)c(NC(=O)CCc2ccccc2C(=O)[O-])cc1C ZINC001599391447 997044052 /nfs/dbraw/zinc/04/40/52/997044052.db2.gz YCPQJMXDFWKNRG-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM COC1([C@H](C)NC(=O)Nc2cccc3cc(C(=O)[O-])sc32)CCC1 ZINC001599084477 997072500 /nfs/dbraw/zinc/07/25/00/997072500.db2.gz YBYMULXPCJNHPG-JTQLQIEISA-N -1 0 348.424 3.679 20 0 EHADRM COc1cc(C)c(NC(=O)c2ccc(C(=O)[O-])o2)cc1C(F)(F)F ZINC001599394086 997092107 /nfs/dbraw/zinc/09/21/07/997092107.db2.gz VZJCFXRMKMEPJJ-UHFFFAOYSA-N -1 0 343.257 3.566 20 0 EHADRM COCc1cccc(C(=O)N(c2ccccc2C(=O)[O-])C2CCC2)c1 ZINC001599295393 997131746 /nfs/dbraw/zinc/13/17/46/997131746.db2.gz CHZJWMJEJHOHLA-UHFFFAOYSA-N -1 0 339.391 3.731 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)Cc1ccc(Cl)cc1 ZINC001599396441 997134684 /nfs/dbraw/zinc/13/46/84/997134684.db2.gz OARAHBFOKTZIML-WEVVVXLNSA-N -1 0 346.766 3.595 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1cc(C)c(C)s1 ZINC001599397109 997146877 /nfs/dbraw/zinc/14/68/77/997146877.db2.gz RXFIKIDPWCGZPQ-FNORWQNLSA-N -1 0 332.377 3.691 20 0 EHADRM COc1ccc(/C(C)=C\C(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001599505067 997198360 /nfs/dbraw/zinc/19/83/60/997198360.db2.gz CQXQOSILNBNXMZ-LUAWRHEFSA-N -1 0 329.327 3.575 20 0 EHADRM COc1ccc(C(C)(C)CNc2cccc(CC(=O)[O-])c2)cc1OC ZINC001599506804 997224171 /nfs/dbraw/zinc/22/41/71/997224171.db2.gz VVGRONFMBKKCSX-UHFFFAOYSA-N -1 0 343.423 3.721 20 0 EHADRM CC1(C)[C@@H](CNC(=O)/C=C\c2cc(C(=O)[O-])co2)[C@@H]1c1ccccc1 ZINC001593987936 997235974 /nfs/dbraw/zinc/23/59/74/997235974.db2.gz JSGFMMAANBBXOA-ADSORFIPSA-N -1 0 339.391 3.547 20 0 EHADRM COC1CC(CNc2ccc(Cl)cc2SCCC(=O)[O-])C1 ZINC001599097936 997319146 /nfs/dbraw/zinc/31/91/46/997319146.db2.gz VVRRZAXFSVEKFL-UHFFFAOYSA-N -1 0 329.849 3.744 20 0 EHADRM CON(C(=O)c1ccc(C(=O)[O-])c(F)c1)[C@@H](C)c1ccccc1C ZINC001599313248 997452893 /nfs/dbraw/zinc/45/28/93/997452893.db2.gz YYDPHULDSNRSKA-LBPRGKRZSA-N -1 0 331.343 3.597 20 0 EHADRM COc1cc(CNC(=O)NCC2(C)CCCCCC2)ccc1C(=O)[O-] ZINC001599414005 997472542 /nfs/dbraw/zinc/47/25/42/997472542.db2.gz VAXKHTGDJIJDNT-UHFFFAOYSA-N -1 0 348.443 3.553 20 0 EHADRM Cc1cccc(C)c1OC[C@H](NC(=O)CCCCC(=O)[O-])C(C)(C)C ZINC000655548907 1016125919 /nfs/dbraw/zinc/12/59/19/1016125919.db2.gz LHTAGAGSTZBVMG-INIZCTEOSA-N -1 0 349.471 3.858 20 0 EHADRM COc1ccc([C@H](NC(=O)/C(C)=C\C2CCC(C)CC2)C(=O)[O-])cc1 ZINC001599521607 997491328 /nfs/dbraw/zinc/49/13/28/997491328.db2.gz XJTMDSVQCYPTMP-ZQMLRVCFSA-N -1 0 345.439 3.710 20 0 EHADRM CON(C[C@@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC001599317944 997531892 /nfs/dbraw/zinc/53/18/92/997531892.db2.gz WVELSUBGRMKVKP-GXTWGEPZSA-N -1 0 334.416 3.915 20 0 EHADRM CON(Cc1ccccc1)[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001599318766 997545061 /nfs/dbraw/zinc/54/50/61/997545061.db2.gz QPUDXQIOKCXHMO-OAHLLOKOSA-N -1 0 339.313 3.895 20 0 EHADRM CON(Cc1ccc(Cl)cc1)C(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001599319410 997555605 /nfs/dbraw/zinc/55/56/05/997555605.db2.gz ZJISPUHGVYWTPQ-UHFFFAOYSA-N -1 0 348.786 3.942 20 0 EHADRM COc1cc(Cl)ccc1CN1CCc2c(cccc2C(=O)[O-])C1 ZINC001599420408 997584254 /nfs/dbraw/zinc/58/42/54/997584254.db2.gz FBQGGTVZEXRRAM-UHFFFAOYSA-N -1 0 331.799 3.605 20 0 EHADRM COc1cc(Cl)ccc1CN1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001599420416 997584369 /nfs/dbraw/zinc/58/43/69/997584369.db2.gz FHBZCGHTJWEMRX-UHFFFAOYSA-N -1 0 349.789 3.744 20 0 EHADRM COc1cc(Cl)ccc1C(=O)N[C@H](CC(=O)[O-])c1cccc(C)c1 ZINC001599420649 997588718 /nfs/dbraw/zinc/58/87/18/997588718.db2.gz NAPIONVBGRWDKV-OAHLLOKOSA-N -1 0 347.798 3.603 20 0 EHADRM CO[C@H]1CCC[C@H](CC(=O)Nc2scc(C3CC3)c2C(=O)[O-])C1 ZINC001599112543 997596211 /nfs/dbraw/zinc/59/62/11/997596211.db2.gz NTRLTQUOHGSFOD-JQWIXIFHSA-N -1 0 337.441 3.858 20 0 EHADRM COc1cc(Cl)ccc1CN[C@H](C)c1ccccc1OCC(=O)[O-] ZINC001599421380 997600720 /nfs/dbraw/zinc/60/07/20/997600720.db2.gz QFOICXPBYYKYBH-GFCCVEGCSA-N -1 0 349.814 3.663 20 0 EHADRM COc1cc(Cl)ccc1NC(=O)NCC1(C(=O)[O-])CCCCC1 ZINC001599421575 997604628 /nfs/dbraw/zinc/60/46/28/997604628.db2.gz YUVRDFKAIGHJCM-UHFFFAOYSA-N -1 0 340.807 3.505 20 0 EHADRM C[C@@]1(Cc2cccc(Cl)c2)CCCN1C(=O)c1cc(C(=O)[O-])co1 ZINC001594041440 997661117 /nfs/dbraw/zinc/66/11/17/997661117.db2.gz JUGTZTZMNNNDCQ-SFHVURJKSA-N -1 0 347.798 3.869 20 0 EHADRM COc1cc(F)cc(NCc2coc(-c3ccc(C(=O)[O-])cc3)n2)c1 ZINC001599425441 997665758 /nfs/dbraw/zinc/66/57/58/997665758.db2.gz BETVWXFVTXKOIA-UHFFFAOYSA-N -1 0 342.326 3.800 20 0 EHADRM COc1ccc([C@@H](OC(=O)c2ccc(C(=O)[O-])o2)C2CC2)c(C)c1 ZINC001599533538 997701487 /nfs/dbraw/zinc/70/14/87/997701487.db2.gz FEMUAVWORRTDNI-INIZCTEOSA-N -1 0 330.336 3.603 20 0 EHADRM COC(=O)c1cc(CN(c2ccccc2)C2CCC2)cc(C(=O)[O-])c1 ZINC001598929346 997713526 /nfs/dbraw/zinc/71/35/26/997713526.db2.gz ILRVIOBXTJXCQA-UHFFFAOYSA-N -1 0 339.391 3.731 20 0 EHADRM COc1ccc(C)cc1CNC(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001599534321 997714777 /nfs/dbraw/zinc/71/47/77/997714777.db2.gz IUGCOQAKLXQRNH-UHFFFAOYSA-N -1 0 348.424 3.702 20 0 EHADRM COc1ccc(C)cc1C(=O)COc1ccc(C(=O)[O-])c(Cl)c1 ZINC001599534488 997717916 /nfs/dbraw/zinc/71/79/16/997717916.db2.gz SBRHWDFQRZBXNK-UHFFFAOYSA-N -1 0 334.755 3.617 20 0 EHADRM COc1c(C)cc(C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)cc1C ZINC001599331674 997759741 /nfs/dbraw/zinc/75/97/41/997759741.db2.gz RFVYXQBVMLVROX-UHFFFAOYSA-N -1 0 345.420 3.984 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)NC1(C)CCCCC1)c1ccccc1 ZINC001594053729 997776355 /nfs/dbraw/zinc/77/63/55/997776355.db2.gz VVQXLDLERSLCBO-HNNXBMFYSA-N -1 0 332.444 3.861 20 0 EHADRM CC1(NC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)Cc2ccccc2C1 ZINC001594057556 997811492 /nfs/dbraw/zinc/81/14/92/997811492.db2.gz LUMMDSZBNVOEBH-UHFFFAOYSA-N -1 0 344.798 3.717 20 0 EHADRM COc1c(F)cc(F)cc1NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001599334785 997815676 /nfs/dbraw/zinc/81/56/76/997815676.db2.gz HFOQCUGLOBKOIG-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM COc1c(F)ccc(F)c1C(=O)Nc1cccc(C(=O)[O-])c1Cl ZINC001599335597 997829907 /nfs/dbraw/zinc/82/99/07/997829907.db2.gz MSHHDOQZVDSFLF-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM COc1ccc(/C=C(\C)C(=O)Nc2cccc(F)c2C(=O)[O-])cc1F ZINC001599540916 997840557 /nfs/dbraw/zinc/84/05/57/997840557.db2.gz JEJYBCUZANSKPS-CSKARUKUSA-N -1 0 347.317 3.714 20 0 EHADRM COc1cc(NC(=O)N2CC[C@@H]2c2ccc(F)cc2)ccc1C(=O)[O-] ZINC001599435723 997842617 /nfs/dbraw/zinc/84/26/17/997842617.db2.gz PEUQOHGLQIOKGK-OAHLLOKOSA-N -1 0 344.342 3.511 20 0 EHADRM COC(=O)c1cc(CSC[C@@H]2CC[C@H]3C[C@H]3C2)cc(C(=O)[O-])c1 ZINC001598934885 997844850 /nfs/dbraw/zinc/84/48/50/997844850.db2.gz VXCLJDXVIQUSNJ-KWCYVHTRSA-N -1 0 334.437 3.841 20 0 EHADRM CC1(NS(=O)(=O)c2cc3ccccc3cc2C(=O)[O-])CCCCC1 ZINC001594062156 997858902 /nfs/dbraw/zinc/85/89/02/997858902.db2.gz UBUZBSVENMYSLZ-UHFFFAOYSA-N -1 0 347.436 3.539 20 0 EHADRM COc1c(NC(=O)N(C)c2cccc(C)c2C)cccc1C(=O)[O-] ZINC001599338676 997882572 /nfs/dbraw/zinc/88/25/72/997882572.db2.gz RMTDOKBZDVGNOR-UHFFFAOYSA-N -1 0 328.368 3.679 20 0 EHADRM COCCN(C(=O)Nc1cc(C(=O)[O-])c(C)cc1C)[C@@H]1CC[C@H](C)C1 ZINC001599233631 997907650 /nfs/dbraw/zinc/90/76/50/997907650.db2.gz ZLVGPPFPNFSKTI-SWLSCSKDSA-N -1 0 348.443 3.671 20 0 EHADRM C[C@@]1(c2ccc(F)cc2)CCN(C(=O)Nc2cc(C(=O)[O-])cs2)C1 ZINC001594071467 997907941 /nfs/dbraw/zinc/90/79/41/997907941.db2.gz CQWZMWVALOTXPJ-QGZVFWFLSA-N -1 0 348.399 3.781 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1cscc1Cl ZINC001599545714 997919025 /nfs/dbraw/zinc/91/90/25/997919025.db2.gz PVUHDGQSOZVFMF-HWKANZROSA-N -1 0 338.768 3.727 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)c1cccc(C2CC2)c1 ZINC001599545966 997923535 /nfs/dbraw/zinc/92/35/35/997923535.db2.gz SGGROCXIPFHAQM-POHAHGRESA-N -1 0 338.359 3.890 20 0 EHADRM COc1cc(NC2CCC(CC(=O)[O-])CC2)cc(OC)c1Cl ZINC001599442305 997949496 /nfs/dbraw/zinc/94/94/96/997949496.db2.gz AKQCLVZQONHUMZ-UHFFFAOYSA-N -1 0 327.808 3.803 20 0 EHADRM COc1cc(NC(=O)c2ccc(F)c(Cl)c2F)ccc1C(=O)[O-] ZINC001599442763 997955932 /nfs/dbraw/zinc/95/59/32/997955932.db2.gz YUWARSIUHCAQKO-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM COc1cc(NCc2csc(-c3ccccn3)n2)ccc1C(=O)[O-] ZINC001599443524 997968915 /nfs/dbraw/zinc/96/89/15/997968915.db2.gz GPZMODUHXRJRKW-UHFFFAOYSA-N -1 0 341.392 3.524 20 0 EHADRM COc1ccc(C[C@@H](C)C(=O)Nc2ccc(C)c(C)c2C(=O)[O-])cc1 ZINC001599549931 997988903 /nfs/dbraw/zinc/98/89/03/997988903.db2.gz DTCBBPQNNAQKBN-CYBMUJFWSA-N -1 0 341.407 3.828 20 0 EHADRM COc1cc(OC(=O)CSc2cc(C)ccc2C)ccc1C(=O)[O-] ZINC001599445088 997995721 /nfs/dbraw/zinc/99/57/21/997995721.db2.gz ACBUKSKENPXIDK-UHFFFAOYSA-N -1 0 346.404 3.708 20 0 EHADRM CC12CC3(C)CC(C)(C1)CC(C(=O)NCc1ccc(C(=O)[O-])o1)(C2)C3 ZINC001594086444 998010254 /nfs/dbraw/zinc/01/02/54/998010254.db2.gz ZYBYPSBHFNJTLN-UHFFFAOYSA-N -1 0 345.439 3.981 20 0 EHADRM COc1ccc(CCC(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)cc1F ZINC001599553155 998044325 /nfs/dbraw/zinc/04/43/25/998044325.db2.gz WSTXWTAJTCUQDK-LBPRGKRZSA-N -1 0 346.354 3.770 20 0 EHADRM COc1cc(OC)c(N[C@@H]2CC[C@H](CC(=O)[O-])[C@H]2C)cc1Cl ZINC001599448720 998054088 /nfs/dbraw/zinc/05/40/88/998054088.db2.gz IEJUNJXWIWASQU-CKYFFXLPSA-N -1 0 327.808 3.659 20 0 EHADRM CO[C@@H]1Cc2ccc(N[C@H]3CCCc4ccc(C(=O)[O-])cc43)cc2C1 ZINC001599139031 998094299 /nfs/dbraw/zinc/09/42/99/998094299.db2.gz RHEAFZBCDRFIHO-QUCCMNQESA-N -1 0 337.419 3.988 20 0 EHADRM COc1ccc(CN(C)[C@H](C(=O)[O-])c2ccsc2)cc1Cl ZINC001599558555 998142346 /nfs/dbraw/zinc/14/23/46/998142346.db2.gz GSUKGBFSISNHRM-AWEZNQCLSA-N -1 0 325.817 3.668 20 0 EHADRM CC1=C(C)C[C@H](C(=O)N[C@@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])CC1 ZINC001594110252 998207240 /nfs/dbraw/zinc/20/72/40/998207240.db2.gz SGWUVWRZOJKWMK-BEFAXECRSA-N -1 0 349.858 3.979 20 0 EHADRM CC1=C(C)C[C@H](C(=O)N[C@@H](Cc2cc3ccccc3o2)C(=O)[O-])CC1 ZINC001594110587 998211552 /nfs/dbraw/zinc/21/15/52/998211552.db2.gz WJSJUOFFOIOKRF-WBVHZDCISA-N -1 0 341.407 3.681 20 0 EHADRM COCCOCc1cccc(N[C@@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC001599253073 998265458 /nfs/dbraw/zinc/26/54/58/998265458.db2.gz ROJYBSNGILWDCO-QGZVFWFLSA-N -1 0 349.814 3.741 20 0 EHADRM COCCOc1cc(C(=O)[O-])ccc1NC(=O)C1CCC(C)(C)CC1 ZINC001599253795 998277207 /nfs/dbraw/zinc/27/72/07/998277207.db2.gz RFUZWLRAZOWXCV-UHFFFAOYSA-N -1 0 349.427 3.565 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)c1ccc(Oc2ccccc2)nc1 ZINC000683327282 1016213431 /nfs/dbraw/zinc/21/34/31/1016213431.db2.gz QRQSNCDEUFRFHY-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N(C)C[C@H](C)c1ccccc1 ZINC001599369780 998391245 /nfs/dbraw/zinc/39/12/45/998391245.db2.gz BKVFIBFUMJPMAA-ZDUSSCGKSA-N -1 0 342.395 3.661 20 0 EHADRM COc1ccc(-c2nc(-c3cc(C(=O)[O-])co3)no2)cc1C1CC1 ZINC001599470294 998438931 /nfs/dbraw/zinc/43/89/31/998438931.db2.gz LZOOLEQAAZWYRF-UHFFFAOYSA-N -1 0 326.308 3.581 20 0 EHADRM COc1ccc(Cl)cc1NC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001599578389 998485237 /nfs/dbraw/zinc/48/52/37/998485237.db2.gz ZIIGSLZKFCNEJK-UHFFFAOYSA-N -1 0 337.803 3.712 20 0 EHADRM COc1ccc(-n2ccnc2S[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC001599474426 998504201 /nfs/dbraw/zinc/50/42/01/998504201.db2.gz RVGIVRAHBOARKJ-AWEZNQCLSA-N -1 0 346.433 3.860 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)/C=C/c1ccccc1Cl ZINC001599378514 998529432 /nfs/dbraw/zinc/52/94/32/998529432.db2.gz NSRGHUMXHYPQKH-VQHVLOKHSA-N -1 0 332.739 3.666 20 0 EHADRM Cc1ccc2nc(-c3ccc(OCc4occc4C(=O)[O-])cc3)[nH]c2n1 ZINC000340085546 1016230751 /nfs/dbraw/zinc/23/07/51/1016230751.db2.gz MFLULTVPHBVUOK-UHFFFAOYSA-N -1 0 349.346 3.804 20 0 EHADRM C[C@H]1[C@@H](C(=O)[O-])CCN1c1oc(-c2ccccc2)nc1C(F)(F)F ZINC001594173021 998664874 /nfs/dbraw/zinc/66/48/74/998664874.db2.gz JXLSXIGPPWHMCJ-ONGXEEELSA-N -1 0 340.301 3.660 20 0 EHADRM COC(=O)c1cccc(COc2cc(C(=O)[O-])ccc2C)c1Cl ZINC001598994186 998763512 /nfs/dbraw/zinc/76/35/12/998763512.db2.gz LMRNJICGRRHCQU-UHFFFAOYSA-N -1 0 334.755 3.712 20 0 EHADRM C[C@@H]1CC(=O)c2c1c(F)ccc2OCc1cc(C(=O)[O-])ccc1F ZINC001594200845 998775838 /nfs/dbraw/zinc/77/58/38/998775838.db2.gz RQGKBUYBBRTNLU-SECBINFHSA-N -1 0 332.302 3.932 20 0 EHADRM CC1CC(C(=O)NC[C@@H](CC2CC2)C(=O)[O-])(c2cccc(Cl)c2)C1 ZINC001594201662 998780829 /nfs/dbraw/zinc/78/08/29/998780829.db2.gz XGISTIXABVOKCK-GBRVTDDUSA-N -1 0 349.858 3.625 20 0 EHADRM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1C(=O)c1cc2cc(Cl)ccc2o1 ZINC001594205411 998788587 /nfs/dbraw/zinc/78/85/87/998788587.db2.gz CRSBOZWWDPKQHP-NXEZZACHSA-N -1 0 335.787 3.800 20 0 EHADRM C[C@@H]1CC(C)(C)CN1C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001594215889 998830293 /nfs/dbraw/zinc/83/02/93/998830293.db2.gz BDNFAKBIIUAUEQ-MRVPVSSYSA-N -1 0 328.771 3.830 20 0 EHADRM C[C@H]1CC(C)(C)c2cccc(NC(=O)Cc3ccc(C(=O)[O-])nc3)c21 ZINC001594217118 998836841 /nfs/dbraw/zinc/83/68/41/998836841.db2.gz OLADWPFJDXUKGF-LBPRGKRZSA-N -1 0 338.407 3.746 20 0 EHADRM Cc1cccc(Oc2ccc(NC(=O)C3CC(C(=O)[O-])C3)cn2)c1C ZINC000683337675 1016256368 /nfs/dbraw/zinc/25/63/68/1016256368.db2.gz NCNVFYWHHUETTB-UHFFFAOYSA-N -1 0 340.379 3.540 20 0 EHADRM CN(CCC(=O)[O-])C(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000037931740 1016265774 /nfs/dbraw/zinc/26/57/74/1016265774.db2.gz ARQKCIZOOCLDQY-UHFFFAOYSA-N -1 0 332.208 3.755 20 0 EHADRM C[C@@H]1C[C@H](NC(=O)NCCCCCC(=O)[O-])C[C@@H](c2ccccc2)C1 ZINC001594255049 998982548 /nfs/dbraw/zinc/98/25/48/998982548.db2.gz ISTAJDJWMXZYCV-SZMVWBNQSA-N -1 0 346.471 3.903 20 0 EHADRM C[C@H]1C[C@H](NC(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CCS1 ZINC001594258502 998996042 /nfs/dbraw/zinc/99/60/42/998996042.db2.gz VCYFAZVUANKQDD-NWDGAFQWSA-N -1 0 344.436 3.944 20 0 EHADRM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1 ZINC001594274663 999060758 /nfs/dbraw/zinc/06/07/58/999060758.db2.gz BXHPLDUVDQVKAD-PCDDKUFXSA-N -1 0 342.420 3.739 20 0 EHADRM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001594278366 999077926 /nfs/dbraw/zinc/07/79/26/999077926.db2.gz NZAWGCPAQFFBGR-AVRGHOLYSA-N -1 0 348.468 3.667 20 0 EHADRM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001594278537 999078829 /nfs/dbraw/zinc/07/88/29/999078829.db2.gz PCKAPIUGTQDNEC-IFFSRLJSSA-N -1 0 340.782 3.591 20 0 EHADRM CO[C@@H](C)CCC(=O)Nc1ccc(Oc2ccccc2)cc1C(=O)[O-] ZINC001599038786 999103007 /nfs/dbraw/zinc/10/30/07/999103007.db2.gz FXUGFFFOCDJITK-ZDUSSCGKSA-N -1 0 343.379 3.931 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)N2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)c1 ZINC001599041317 999119690 /nfs/dbraw/zinc/11/96/90/999119690.db2.gz SNJKRPRJGRXWCN-WTANOLMUSA-N -1 0 346.427 3.503 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)N[C@H](CC(=O)[O-])C2CCCC2)c1 ZINC001599041579 999121592 /nfs/dbraw/zinc/12/15/92/999121592.db2.gz ZAZPDAJNRWIPJQ-MLGOLLRUSA-N -1 0 334.416 3.549 20 0 EHADRM C[C@@H]1CC=C(C(=O)N[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)CC1 ZINC001594292425 999128116 /nfs/dbraw/zinc/12/81/16/999128116.db2.gz KXSQRHVZHYZFTD-QMTHXVAHSA-N -1 0 341.329 3.694 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)N[C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)C1 ZINC001594297135 999145608 /nfs/dbraw/zinc/14/56/08/999145608.db2.gz RYADPSQEIODIAN-OASPWFOLSA-N -1 0 329.318 3.541 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1CNC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001594297286 999146673 /nfs/dbraw/zinc/14/66/73/999146673.db2.gz VDGIEDQSDDDXIO-JLSDUUJJSA-N -1 0 346.471 3.892 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)N(CC(=O)[O-])c1ccccc1 ZINC001594299120 999154450 /nfs/dbraw/zinc/15/44/50/999154450.db2.gz SFTMDNPPACAPGJ-BPQIPLTHSA-N -1 0 347.455 3.582 20 0 EHADRM C[C@@H]1CC[C@H](CCC(=O)Nc2cc(C(=O)[O-])cc(Cl)c2Cl)O1 ZINC001594301783 999165439 /nfs/dbraw/zinc/16/54/39/999165439.db2.gz HQXNVNKWJGZGFY-PSASIEDQSA-N -1 0 346.210 3.978 20 0 EHADRM C[C@@H]1CC[C@](NC(=O)C[C@H]2CC=CCC2)(C(=O)[O-])c2ccccc21 ZINC001594314348 999215280 /nfs/dbraw/zinc/21/52/80/999215280.db2.gz PZEMXKHLBRAKTL-QEEYODRMSA-N -1 0 327.424 3.726 20 0 EHADRM C[C@@H]1CC[C@@](NC(=O)c2cccc(Cl)c2)(C(=O)[O-])c2ccccc21 ZINC001594322439 999242533 /nfs/dbraw/zinc/24/25/33/999242533.db2.gz LYZQQBARFDRTRX-BLVKFPJESA-N -1 0 343.810 3.947 20 0 EHADRM C[C@H]1CC[C@H](c2ccccc2)N(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C1 ZINC001594330586 999271332 /nfs/dbraw/zinc/27/13/32/999271332.db2.gz VPVCTRNOLHMSOP-LEUOFYLZSA-N -1 0 329.440 3.877 20 0 EHADRM C[C@H]1CCC[C@@H](NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)CC1 ZINC001594352975 999337523 /nfs/dbraw/zinc/33/75/23/999337523.db2.gz XCOAQHMOLCXOMX-UONOGXRCSA-N -1 0 334.416 3.630 20 0 EHADRM C[C@H]1CCC[C@@H](NC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CC1 ZINC001594353003 999337648 /nfs/dbraw/zinc/33/76/48/999337648.db2.gz YVQXKQYZDOBLPJ-JSQNDZKTSA-N -1 0 330.428 3.965 20 0 EHADRM C[C@H]1CCC[C@@H](OCCCCCC(=O)NC2(CC(=O)[O-])CCC2)C1 ZINC001594354409 999338439 /nfs/dbraw/zinc/33/84/39/999338439.db2.gz CFYZFYNLLRFDGU-JKSUJKDBSA-N -1 0 339.476 3.656 20 0 EHADRM C[C@H]1CCC[C@@H]1CC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001594359407 999358444 /nfs/dbraw/zinc/35/84/44/999358444.db2.gz GWUNLMALZQVIHF-UONOGXRCSA-N -1 0 330.428 3.750 20 0 EHADRM C[C@H]1CCCC[C@@H]1CCNC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001594363320 999371272 /nfs/dbraw/zinc/37/12/72/999371272.db2.gz CUEPABIFWIYFLC-QWHCGFSZSA-N -1 0 336.407 3.540 20 0 EHADRM C[C@H]1CCCC[C@H]1C(=O)Oc1cc(Br)cc(C(=O)[O-])c1 ZINC001594363529 999372204 /nfs/dbraw/zinc/37/22/04/999372204.db2.gz GLAQFVLDACSLRD-TVQRCGJNSA-N -1 0 341.201 3.879 20 0 EHADRM C[C@@H]1CCCCN(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC001594370884 999398596 /nfs/dbraw/zinc/39/85/96/999398596.db2.gz VGBMMDBGWXZMCD-CQSZACIVSA-N -1 0 345.443 3.639 20 0 EHADRM C[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001594396588 999494745 /nfs/dbraw/zinc/49/47/45/999494745.db2.gz YZNMJHVRQQBJFG-SUNKGSAMSA-N -1 0 343.345 3.521 20 0 EHADRM C[C@@H]1CCN(C(=O)NCc2ccc(C(=O)[O-])s2)[C@H](c2ccco2)C1 ZINC001594403267 999512192 /nfs/dbraw/zinc/51/21/92/999512192.db2.gz RMQDOAYKVWWSJV-YPMHNXCESA-N -1 0 348.424 3.722 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc(F)cc(C(=O)[O-])c2)[C@@H]1c1ccccc1 ZINC001594407196 999526576 /nfs/dbraw/zinc/52/65/76/999526576.db2.gz PBQPWSJGCLENTP-PXAZEXFGSA-N -1 0 327.355 3.747 20 0 EHADRM CC1CCN(c2ccc(NC(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)cc2)CC1 ZINC001594435022 999614914 /nfs/dbraw/zinc/61/49/14/999614914.db2.gz IRXKWFONXCIZPA-WKILWMFISA-N -1 0 344.455 3.752 20 0 EHADRM CC1CCN(c2cccc(NCc3ncc(C(=O)[O-])s3)c2)CC1 ZINC001594435352 999615795 /nfs/dbraw/zinc/61/57/95/999615795.db2.gz VGTUTAZAUOZAIC-UHFFFAOYSA-N -1 0 331.441 3.690 20 0 EHADRM C[C@H]1CCc2nc(CN(C)[C@H](C(=O)[O-])c3ccccc3)sc2C1 ZINC001594450305 999647203 /nfs/dbraw/zinc/64/72/03/999647203.db2.gz DMQYUOQEMZOXSU-SJCJKPOMSA-N -1 0 330.453 3.526 20 0 EHADRM CC(C)[C@H](CNC(=O)c1cc2c(cccc2Cl)s1)C(=O)[O-] ZINC000655571280 1016351603 /nfs/dbraw/zinc/35/16/03/1016351603.db2.gz SBEBFIZEZLQSJZ-JTQLQIEISA-N -1 0 325.817 3.641 20 0 EHADRM CN(Cc1ccccc1Oc1ccccc1)c1nccnc1CC(=O)[O-] ZINC001167152392 1016360746 /nfs/dbraw/zinc/36/07/46/1016360746.db2.gz YMDVEWZNXGUGSO-UHFFFAOYSA-N -1 0 349.390 3.532 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C2CCC2)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655576766 1016397944 /nfs/dbraw/zinc/39/79/44/1016397944.db2.gz TZZXTIKTBDYABV-OAUYIBNBSA-N -1 0 329.440 3.819 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655577213 1016401285 /nfs/dbraw/zinc/40/12/85/1016401285.db2.gz YDXMUWJKOGVUSP-UOVPBQLFSA-N -1 0 345.483 3.815 20 0 EHADRM C[C@@H](NC(=O)CCc1cc(Cl)cs1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655579568 1016437953 /nfs/dbraw/zinc/43/79/53/1016437953.db2.gz TWWXHHNGCXRLJY-JIMOISOXSA-N -1 0 343.876 3.586 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC[C@H]3CCC[C@@H]32)n1 ZINC000084405717 1016447304 /nfs/dbraw/zinc/44/73/04/1016447304.db2.gz ADUBHQRIFRIHAO-CVEARBPZSA-N -1 0 339.439 3.545 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC[C@H]3CCC[C@H]32)n1 ZINC000084405721 1016447810 /nfs/dbraw/zinc/44/78/10/1016447810.db2.gz ADUBHQRIFRIHAO-HZPDHXFCSA-N -1 0 339.439 3.545 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655580279 1016450233 /nfs/dbraw/zinc/45/02/33/1016450233.db2.gz KLQJTWIKOOZGGR-AEGPPILISA-N -1 0 343.423 3.915 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)[C@H]1COc2ccccc2C1 ZINC000179445098 1016871131 /nfs/dbraw/zinc/87/11/31/1016871131.db2.gz HECVRQUSPFFMIG-SNVBAGLBSA-N -1 0 338.190 3.889 20 0 EHADRM CC[C@H](NC(=O)c1cc(F)c([O-])c(F)c1)c1ccc(F)cc1F ZINC000180043633 1016886089 /nfs/dbraw/zinc/88/60/89/1016886089.db2.gz YRICLTORKRZDTO-AWEZNQCLSA-N -1 0 327.277 3.830 20 0 EHADRM O=C(Nc1ncc(Cc2ccccc2F)s1)c1ccc(O)cc1F ZINC000181148070 1016910309 /nfs/dbraw/zinc/91/03/09/1016910309.db2.gz KPUNCPLJOZZSEG-UHFFFAOYSA-N -1 0 346.358 3.970 20 0 EHADRM Cc1cc(Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)ccc1C(=O)[O-] ZINC001211647972 1016931995 /nfs/dbraw/zinc/93/19/95/1016931995.db2.gz NSMZIGDYEGDEJR-VIFPVBQESA-N -1 0 344.436 3.722 20 0 EHADRM CC(C)c1noc2ncc(C(=O)Nc3cccc(Cl)c3[O-])cc21 ZINC000340320167 1016938173 /nfs/dbraw/zinc/93/81/73/1016938173.db2.gz GMVHZQDQKNPFLL-UHFFFAOYSA-N -1 0 331.759 3.958 20 0 EHADRM O=C(NCC[C@@H]1CC1(Cl)Cl)c1ccc2ccc(O)cc2c1O ZINC001167711717 1016946872 /nfs/dbraw/zinc/94/68/72/1016946872.db2.gz PYLDFNXPWBYEPT-SNVBAGLBSA-N -1 0 340.206 3.565 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2ccc([C@H](C)CC(=O)[O-])cc2)cc1C ZINC000181774262 1016985183 /nfs/dbraw/zinc/98/51/83/1016985183.db2.gz MLMNTDDBAKGOFP-CQSZACIVSA-N -1 0 347.436 3.682 20 0 EHADRM CCN(C(=O)c1cc2cc(C(F)(F)F)ccc2s1)[C@H](C)C(=O)[O-] ZINC000659769025 1016983273 /nfs/dbraw/zinc/98/32/73/1016983273.db2.gz URIJHEWCOSPEIJ-MRVPVSSYSA-N -1 0 345.342 3.855 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)NC2CCCCC2)s1 ZINC000471309179 1016998687 /nfs/dbraw/zinc/99/86/87/1016998687.db2.gz ZIZYQEHGKXOEGV-UHFFFAOYSA-N -1 0 334.420 3.529 20 0 EHADRM Cc1occc1CN(C)[C@@H](C(=O)[O-])c1ccccc1Br ZINC000659786787 1017018544 /nfs/dbraw/zinc/01/85/44/1017018544.db2.gz GMOMWSFTFGXGRP-CQSZACIVSA-N -1 0 338.201 3.608 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N(C)CC(C)(C)C)s1 ZINC000471312248 1017019700 /nfs/dbraw/zinc/01/97/00/1017019700.db2.gz ZIDXBTYGPMGDJG-UHFFFAOYSA-N -1 0 336.436 3.584 20 0 EHADRM O=C(C[C@]1(C(=O)[O-])CCSC1)Nc1cccc(OC2CCCC2)c1 ZINC000146972706 1032154602 /nfs/dbraw/zinc/15/46/02/1032154602.db2.gz OPQKWRGLTFDMMC-GOSISDBHSA-N -1 0 349.452 3.545 20 0 EHADRM Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(Cl)c1OC(C)C ZINC000118301604 1032194734 /nfs/dbraw/zinc/19/47/34/1032194734.db2.gz VLLRSKLSXIUXJB-UHFFFAOYSA-N -1 0 344.820 3.533 20 0 EHADRM CCN(c1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1)C(C)C ZINC000449136587 1032230681 /nfs/dbraw/zinc/23/06/81/1032230681.db2.gz BNZADHDRAYXFHB-QGZVFWFLSA-N -1 0 346.471 3.781 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)c1Cl ZINC000538296658 1032279219 /nfs/dbraw/zinc/27/92/19/1032279219.db2.gz QJQBXYHSOPTSJT-UHFFFAOYSA-N -1 0 347.827 3.839 20 0 EHADRM Cc1cc(C)c(-c2csc(C3(C(=O)[O-])CCOCC3)n2)cc1C ZINC000905000915 1032314705 /nfs/dbraw/zinc/31/47/05/1032314705.db2.gz AEDWKRQVFIBCJY-UHFFFAOYSA-N -1 0 331.437 3.868 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cc(OC)c(C)c(OC)c1 ZINC000905005945 1032316174 /nfs/dbraw/zinc/31/61/74/1032316174.db2.gz KUIZLBYNHRCFEF-UHFFFAOYSA-N -1 0 343.379 3.525 20 0 EHADRM CCCOc1ccc(S(=O)(=O)[N-]c2ncc(Cl)cc2C)cc1 ZINC000461207581 1032318415 /nfs/dbraw/zinc/31/84/15/1032318415.db2.gz CXEWLOMXIISGIW-UHFFFAOYSA-N -1 0 340.832 3.633 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cc3c(cn2)CCCC3)c1Cl ZINC000461207760 1032320104 /nfs/dbraw/zinc/32/01/04/1032320104.db2.gz DQXQZLJTLXYLPY-UHFFFAOYSA-N -1 0 336.844 3.723 20 0 EHADRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N(C)C3CCCCCC3)n2)c1 ZINC000536834397 1032329003 /nfs/dbraw/zinc/32/90/03/1032329003.db2.gz QZSBUQRWYCFGHY-UHFFFAOYSA-N -1 0 345.418 3.820 20 0 EHADRM C[C@@H]1C[C@H](c2cccnc2)N(C(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000184764977 1032332015 /nfs/dbraw/zinc/33/20/15/1032332015.db2.gz VXBAVGYUTIOCIY-IAQYHMDHSA-N -1 0 339.420 3.735 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000905123574 1032352386 /nfs/dbraw/zinc/35/23/86/1032352386.db2.gz GURKZQGLKWFMJE-QKGUJMCYSA-N -1 0 329.440 3.671 20 0 EHADRM CCC(CC)(C(=O)N=c1nc2ccccn2[n-]1)c1ccc(Cl)cc1 ZINC000538410223 1032353939 /nfs/dbraw/zinc/35/39/39/1032353939.db2.gz HUBJYSBUMZGXBW-UHFFFAOYSA-N -1 0 342.830 3.501 20 0 EHADRM Cc1nc(CN(C)C(=O)c2c([O-])cc(Cl)cc2Cl)cs1 ZINC000081957863 1032376532 /nfs/dbraw/zinc/37/65/32/1032376532.db2.gz LAUZRNUFNDRUGD-UHFFFAOYSA-N -1 0 331.224 3.736 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)c2cnc(-c3ccco3)s2)cc1 ZINC000738561274 1032378820 /nfs/dbraw/zinc/37/88/20/1032378820.db2.gz XQBZHZRFRRPNKW-YVMONPNESA-N -1 0 340.360 3.753 20 0 EHADRM CC[C@@H](C(=O)N[N-]C(=O)c1cc2ccccc2o1)c1ccc(F)cc1 ZINC000160808282 1032409013 /nfs/dbraw/zinc/40/90/13/1032409013.db2.gz ARPMIUMHNPKWAO-OAHLLOKOSA-N -1 0 340.354 3.527 20 0 EHADRM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)c1 ZINC000461343297 1032408320 /nfs/dbraw/zinc/40/83/20/1032408320.db2.gz VXXRSYYZZIGDNZ-UHFFFAOYSA-N -1 0 349.355 3.770 20 0 EHADRM Cc1cccc(C2(C(=O)N3CC[C@@H](C(=O)[O-])[C@H](C)C3)CCCCC2)c1 ZINC000263063846 1032427467 /nfs/dbraw/zinc/42/74/67/1032427467.db2.gz SVGJDGZHYQJJES-SJLPKXTDSA-N -1 0 343.467 3.766 20 0 EHADRM O=C([O-])CCCCCNC(=O)N1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000414629134 1017082293 /nfs/dbraw/zinc/08/22/93/1017082293.db2.gz QGUYONVKDMDNBL-GOSISDBHSA-N -1 0 344.455 3.958 20 0 EHADRM Cc1csc(-c2cccc(NC(=O)N([C@H](C)C(=O)[O-])C3CC3)c2)n1 ZINC000579911988 1017099164 /nfs/dbraw/zinc/09/91/64/1017099164.db2.gz PTYICQRKZADJQD-LLVKDONJSA-N -1 0 345.424 3.588 20 0 EHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])o1 ZINC000601989995 1032582725 /nfs/dbraw/zinc/58/27/25/1032582725.db2.gz FTWFMPTXGGAHRT-RDBSUJKOSA-N -1 0 339.457 3.627 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)[C@H](C)S[C@H](C)C(=O)[O-] ZINC000601992102 1032585373 /nfs/dbraw/zinc/58/53/73/1032585373.db2.gz JRPRZJMPZZSHCV-JGVFFNPUSA-N -1 0 333.862 3.595 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C)C(=O)[O-] ZINC000601995859 1032587348 /nfs/dbraw/zinc/58/73/48/1032587348.db2.gz OXCPBHAWRYDXJU-COPLHBTASA-N -1 0 341.448 3.624 20 0 EHADRM C[C@@H](S[C@H](C)C(=O)N(Cc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000602001135 1032589712 /nfs/dbraw/zinc/58/97/12/1032589712.db2.gz SDRBNPDZZIDIEF-HUUCEWRRSA-N -1 0 343.448 3.815 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000460123426 1032599554 /nfs/dbraw/zinc/59/95/54/1032599554.db2.gz CWXPXHVSQYOSML-MDZLAQPJSA-N -1 0 348.497 3.873 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N2CCC[C@@H]2CC)s1)c1ccccc1 ZINC000592937568 1032621961 /nfs/dbraw/zinc/62/19/61/1032621961.db2.gz HMJRDOWHTGWDNW-LSDHHAIUSA-N -1 0 344.484 3.908 20 0 EHADRM CC[C@H](c1n[n-]c(=NC(=O)N2CCCC[C@@H]2C)s1)c1ccccc1 ZINC000592938319 1032622754 /nfs/dbraw/zinc/62/27/54/1032622754.db2.gz UIOMQSXJTYLMGH-ZFWWWQNUSA-N -1 0 344.484 3.908 20 0 EHADRM COCCS(=O)(=O)[N-]c1ccccc1Oc1ccc(Cl)cc1 ZINC000606342644 1032628656 /nfs/dbraw/zinc/62/86/56/1032628656.db2.gz NBEFKNQMBZRFSW-UHFFFAOYSA-N -1 0 341.816 3.520 20 0 EHADRM CC(C(=O)N(C(C)C)C(C)C)=S([O-])c1ccc(Cl)c(F)c1 ZINC000593009593 1032641135 /nfs/dbraw/zinc/64/11/35/1032641135.db2.gz VMLWXJNFXCBBAM-FIKIJFGZSA-N -1 0 333.856 3.621 20 0 EHADRM C[C@H](c1ccc(F)cc1)N(C)C(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000326863347 1032663876 /nfs/dbraw/zinc/66/38/76/1032663876.db2.gz VQFSPBZJOPVABL-JLTOFOAXSA-N -1 0 343.398 3.778 20 0 EHADRM CCn1c(-c2cccc3ccccc32)n[n-]c1=Nc1c(C)nn(C)c1C ZINC000460230949 1032695389 /nfs/dbraw/zinc/69/53/89/1032695389.db2.gz RLTVAESKLNUEEH-UHFFFAOYSA-N -1 0 346.438 3.634 20 0 EHADRM Cc1cc(C)cc([C@H](NCc2nc3c(s2)CCCC3)C(=O)[O-])c1 ZINC000669472379 1032694318 /nfs/dbraw/zinc/69/43/18/1032694318.db2.gz WILVHGHSBIFLCZ-KRWDZBQOSA-N -1 0 330.453 3.554 20 0 EHADRM Cc1ccc(CCCC(=O)N[C@H](CC(=O)[O-])C2CCCCC2)cc1 ZINC000537400918 1032702470 /nfs/dbraw/zinc/70/24/70/1032702470.db2.gz IZGZLGLCJZJGPP-GOSISDBHSA-N -1 0 331.456 3.858 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)NCc1ccc(F)c(F)c1)C1CCCCC1 ZINC000549176522 1017520414 /nfs/dbraw/zinc/52/04/14/1017520414.db2.gz AGCFNQSOTNBABI-SFHVURJKSA-N -1 0 339.382 3.642 20 0 EHADRM COc1ccc(CN=c2[n-]nc(CCCc3ccccc3)o2)cc1C ZINC000537405177 1032708530 /nfs/dbraw/zinc/70/85/30/1032708530.db2.gz TVRLKPPDGHGICX-UHFFFAOYSA-N -1 0 337.423 3.596 20 0 EHADRM Cc1ccnc(CN=c2[n-]c(-c3cc(Cl)cc(Cl)c3)no2)c1 ZINC000549222861 1017695039 /nfs/dbraw/zinc/69/50/39/1017695039.db2.gz HGPGDGUVLMVOKN-UHFFFAOYSA-N -1 0 335.194 3.781 20 0 EHADRM COc1cc(SC)ccc1NC(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC000683617781 1017715745 /nfs/dbraw/zinc/71/57/45/1017715745.db2.gz FELUGZQTTDNOEO-AWEZNQCLSA-N -1 0 345.420 3.614 20 0 EHADRM O=C(Nc1cc2c(cc1Cl)OCCCO2)c1c([O-])cccc1F ZINC000121267701 1017723232 /nfs/dbraw/zinc/72/32/32/1017723232.db2.gz WWXDQJDQZZCCCE-UHFFFAOYSA-N -1 0 337.734 3.598 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)NC[C@@H](C(=O)[O-])C(C)C)cc1C ZINC000655892049 1017867712 /nfs/dbraw/zinc/86/77/12/1017867712.db2.gz NFFBTOPNHDENFD-IAGOWNOFSA-N -1 0 332.444 3.507 20 0 EHADRM Cc1cccc([C@@H](NCc2nc3c(s2)CCCC3)C(=O)[O-])c1C ZINC000669472518 1032729533 /nfs/dbraw/zinc/72/95/33/1032729533.db2.gz PVTVBWSVRBAHLG-QGZVFWFLSA-N -1 0 330.453 3.554 20 0 EHADRM O=S(=O)(CCOCC1CC1)Nc1ccc(-c2ccccc2)cc1F ZINC000643621608 1018051980 /nfs/dbraw/zinc/05/19/80/1018051980.db2.gz YFNJHMSRUGMXQX-UHFFFAOYSA-N -1 0 349.427 3.661 20 0 EHADRM COc1ccc(Br)nc1Nc1ccc(C(=O)[O-])c(C)c1 ZINC001211650231 1018052170 /nfs/dbraw/zinc/05/21/70/1018052170.db2.gz WETUADNRTGJOIW-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM CCc1c([N-]S(=O)(=O)c2ccc(C)cc2C)onc1C(F)(F)F ZINC000460586882 1018107536 /nfs/dbraw/zinc/10/75/36/1018107536.db2.gz UHXLFCAJWLULKH-UHFFFAOYSA-N -1 0 348.346 3.673 20 0 EHADRM O=C(NO[C@H]1CCCCO1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000155516331 1018108706 /nfs/dbraw/zinc/10/87/06/1018108706.db2.gz IFJVYNUWCFCGTA-NSHDSACASA-N -1 0 338.713 3.939 20 0 EHADRM Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000602271290 1032743440 /nfs/dbraw/zinc/74/34/40/1032743440.db2.gz SPJLXGSIVSMNOW-BZSNNMDCSA-N -1 0 329.440 3.865 20 0 EHADRM CC(C)Oc1ccc([N-]S(=O)(=O)c2cccs2)cc1Cl ZINC000031721565 1032750248 /nfs/dbraw/zinc/75/02/48/1032750248.db2.gz XSYDQGXMMIXRBY-UHFFFAOYSA-N -1 0 331.846 3.990 20 0 EHADRM Cc1cc2cc([N-]S(=O)(=O)c3ccc(Cl)s3)ccc2[nH]1 ZINC000031721925 1032750444 /nfs/dbraw/zinc/75/04/44/1032750444.db2.gz XATWRUSDRLOKQG-UHFFFAOYSA-N -1 0 326.830 3.992 20 0 EHADRM C[C@H](Nc1cncc(-c2cccs2)n1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656091489 1018520649 /nfs/dbraw/zinc/52/06/49/1018520649.db2.gz DXOVQUFUQTXYAF-SDDRHHMPSA-N -1 0 331.441 3.752 20 0 EHADRM C[C@@H](Nc1nnc(Cc2ccccc2)s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656093143 1018524282 /nfs/dbraw/zinc/52/42/82/1018524282.db2.gz UXQNIPTUDDZSHV-KWCYVHTRSA-N -1 0 345.468 3.676 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])c2)cs1 ZINC000013467662 1018528055 /nfs/dbraw/zinc/52/80/55/1018528055.db2.gz WGBXXIFLAXSGOQ-HUUCEWRRSA-N -1 0 342.420 3.724 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2nc(C(C)C)c(C)s2)c(F)c1 ZINC000568108676 1018644631 /nfs/dbraw/zinc/64/46/31/1018644631.db2.gz JOTPISDWUOJQSL-UHFFFAOYSA-N -1 0 344.433 3.523 20 0 EHADRM Cc1ccc(C)c([N-]S(=O)(=O)c2cccnc2C(F)(F)F)c1 ZINC000580117345 1018661330 /nfs/dbraw/zinc/66/13/30/1018661330.db2.gz DJLFXSHHMSCLPE-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM O=C(N[C@@H]1CCCC12CCOCC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000669738908 1032779266 /nfs/dbraw/zinc/77/92/66/1032779266.db2.gz DTABYIYQCYNSDI-GFCCVEGCSA-N -1 0 344.238 3.778 20 0 EHADRM O=C([O-])[C@H](CNC(=O)CCCc1ccc2ccccc2c1)CC1CC1 ZINC000580318865 1019022892 /nfs/dbraw/zinc/02/28/92/1019022892.db2.gz JRQHHGRQTBXOED-IBGZPJMESA-N -1 0 339.435 3.780 20 0 EHADRM O=C([O-])CCOc1cccc(-c2ccccc2OC[C@H]2CCOC2)c1 ZINC000580330797 1019043682 /nfs/dbraw/zinc/04/36/82/1019043682.db2.gz VCPSLBWTHDJCQL-HNNXBMFYSA-N -1 0 342.391 3.622 20 0 EHADRM CC(C)CN(CCc1ccccc1)C(=O)N=c1[n-]nc(C2CC2)s1 ZINC000549927857 1019154518 /nfs/dbraw/zinc/15/45/18/1019154518.db2.gz HMBDCNRHGVSNOD-UHFFFAOYSA-N -1 0 344.484 3.570 20 0 EHADRM COc1ccc(C(=O)[O-])cc1NCc1cc(F)cc2cccnc21 ZINC000340676317 1019159105 /nfs/dbraw/zinc/15/91/05/1019159105.db2.gz ORZULFXPFONCLH-UHFFFAOYSA-N -1 0 326.327 3.693 20 0 EHADRM COc1cc2c(c(CNc3cccc(C(=O)[O-])c3C)c1)O[C@H](C)C2 ZINC000340679691 1019205318 /nfs/dbraw/zinc/20/53/18/1019205318.db2.gz MDJGWAZYEBBTOU-LLVKDONJSA-N -1 0 327.380 3.637 20 0 EHADRM CCCOc1ccc(S(=O)(=O)[N-]c2cccc3ccn(C)c32)cc1 ZINC000471566024 1019206631 /nfs/dbraw/zinc/20/66/31/1019206631.db2.gz HEIJNUHLIKHBBV-UHFFFAOYSA-N -1 0 344.436 3.768 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)Nc1cc(Cl)ccc1Cl)C1CCC1 ZINC000683921050 1019242482 /nfs/dbraw/zinc/24/24/82/1019242482.db2.gz MKQMZBIOUAAGCS-QMMMGPOBSA-N -1 0 331.199 3.853 20 0 EHADRM Cc1ccc(C2(CNC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])CCC2)cc1C ZINC000683922051 1019247199 /nfs/dbraw/zinc/24/71/99/1019247199.db2.gz JYDHHKOEDIVOGZ-QZTJIDSGSA-N -1 0 341.451 3.508 20 0 EHADRM COc1cc(C(=O)[O-])cc(NCc2cc3ccccc3o2)c1OC ZINC000340681719 1019248449 /nfs/dbraw/zinc/24/84/49/1019248449.db2.gz MXRYNNLQCSNNFM-UHFFFAOYSA-N -1 0 327.336 3.760 20 0 EHADRM Clc1cc2c(s1)CCC[C@@H]2N=c1[n-]c(C2CCOCC2)no1 ZINC000580407869 1019304297 /nfs/dbraw/zinc/30/42/97/1019304297.db2.gz RNKCMZHNMGHXFY-NSHDSACASA-N -1 0 339.848 3.590 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000606780753 1032829230 /nfs/dbraw/zinc/82/92/30/1032829230.db2.gz VXHGYYBWLWCKAI-CQSZACIVSA-N -1 0 331.485 3.711 20 0 EHADRM O=C([O-])[C@H]1CC[C@@H]1C(=O)N1CCC(c2cccc3ccccc32)CC1 ZINC000262152367 1019551732 /nfs/dbraw/zinc/55/17/32/1019551732.db2.gz PIEAWTWSTAXRER-OALUTQOASA-N -1 0 337.419 3.657 20 0 EHADRM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C)cc1Cl ZINC000071415416 1019618847 /nfs/dbraw/zinc/61/88/47/1019618847.db2.gz HZQGFAZJZCPORV-UHFFFAOYSA-N -1 0 345.829 3.517 20 0 EHADRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cccc(C)c2F)n[nH]1 ZINC000513430814 1019658531 /nfs/dbraw/zinc/65/85/31/1019658531.db2.gz AOFBNYICMVNKED-SNVBAGLBSA-N -1 0 325.409 3.562 20 0 EHADRM COc1ccccc1C/C(C)=C/C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000237120278 1019674727 /nfs/dbraw/zinc/67/47/27/1019674727.db2.gz YZQGMTRMKLAAJP-ACCUITESSA-N -1 0 339.391 3.829 20 0 EHADRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1cccc(C)c1F ZINC000513446346 1019686024 /nfs/dbraw/zinc/68/60/24/1019686024.db2.gz DKJXRTDOXBWWPU-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM Cc1csc(-c2cccc(NC(=O)N3CCCC[C@@H]3C(=O)[O-])c2)n1 ZINC000580592701 1019708466 /nfs/dbraw/zinc/70/84/66/1019708466.db2.gz IEYYACPUBADFPY-CQSZACIVSA-N -1 0 345.424 3.590 20 0 EHADRM CC[C@@H](C)[C@@H](C)C(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC000262932564 1019771525 /nfs/dbraw/zinc/77/15/25/1019771525.db2.gz HCZOGBANZLUNHP-HUUCEWRRSA-N -1 0 331.456 3.848 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)[C@@H]2CCCC(C)(C)C2)c1OC ZINC000262944872 1019774220 /nfs/dbraw/zinc/77/42/20/1019774220.db2.gz CQORIFZGXUUQKU-LLVKDONJSA-N -1 0 335.400 3.557 20 0 EHADRM CC[C@H](C(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000263204186 1019838392 /nfs/dbraw/zinc/83/83/92/1019838392.db2.gz YVZDUABRWZOERT-KSSFIOAISA-N -1 0 341.407 3.521 20 0 EHADRM COc1ccc(NC(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)cc1Cl ZINC000580692979 1019859464 /nfs/dbraw/zinc/85/94/64/1019859464.db2.gz CXZBEBUTLZULTG-OAHLLOKOSA-N -1 0 348.786 3.638 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)CCCc1cc(Cl)sc1Cl ZINC000263448318 1019906300 /nfs/dbraw/zinc/90/63/00/1019906300.db2.gz NQBCFWOMEYZGGA-SFYZADRCSA-N -1 0 338.256 3.603 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)NC(C)(C)CCC(=O)[O-] ZINC000261706257 1019907590 /nfs/dbraw/zinc/90/75/90/1019907590.db2.gz KKAGVMKOLFJILR-UHFFFAOYSA-N -1 0 332.322 3.779 20 0 EHADRM CCc1ccc(S(=O)(=O)C(C)=C([O-])c2cc(F)ccc2F)cc1 ZINC000340774639 1019977910 /nfs/dbraw/zinc/97/79/10/1019977910.db2.gz GQFIDNVSHNDEGY-NSHDSACASA-N -1 0 338.375 3.572 20 0 EHADRM CCC/C(C)=C/C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000920323817 1123356939 /nfs/dbraw/zinc/35/69/39/1123356939.db2.gz HIUUAARSQLXSPQ-CMDGGOBGSA-N -1 0 336.240 3.545 20 0 EHADRM CCCC[C@@H](NC(=O)c1ccccc1CCc1ccccc1)C(=O)[O-] ZINC000345203339 1020058266 /nfs/dbraw/zinc/05/82/66/1020058266.db2.gz DQFVPZWBUOPCCO-LJQANCHMSA-N -1 0 339.435 3.845 20 0 EHADRM CC(C)O[C@@H]1CCc2cc(-c3cc(C(=O)[O-])ccc3CO)ccc21 ZINC000580844931 1020136179 /nfs/dbraw/zinc/13/61/79/1020136179.db2.gz VZAGAVUAAIEAKV-LJQANCHMSA-N -1 0 326.392 3.956 20 0 EHADRM Cc1cccc([C@@H](C)CNC(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000580871142 1020163883 /nfs/dbraw/zinc/16/38/83/1020163883.db2.gz KITFLZSOZFUQFV-MAUKXSAKSA-N -1 0 340.423 3.566 20 0 EHADRM O=C(Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1)C1CCC1 ZINC000606933071 1032886268 /nfs/dbraw/zinc/88/62/68/1032886268.db2.gz DQHMWNPFTRWGBC-UHFFFAOYSA-N -1 0 342.395 3.702 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC000261718883 1020267649 /nfs/dbraw/zinc/26/76/49/1020267649.db2.gz QLLRJPWENHTXMN-SOUVJXGZSA-N -1 0 331.412 3.695 20 0 EHADRM COC(=O)c1cc(F)cc(NC(=O)c2cnc(C(C)C)s2)c1F ZINC000280305706 1020298562 /nfs/dbraw/zinc/29/85/62/1020298562.db2.gz TXCWSMQUOLXNCD-UHFFFAOYSA-N -1 0 340.351 3.584 20 0 EHADRM Cc1c2cc(F)ccc2oc1C([O-])=C(C#N)C(=O)NC1CCCCC1 ZINC000050679508 1020366427 /nfs/dbraw/zinc/36/64/27/1020366427.db2.gz VIUCCGHSTJSSIR-OAHLLOKOSA-N -1 0 342.370 3.652 20 0 EHADRM CC(C)[C@H]1C[C@@H](NC(=O)N=c2[n-]nc(C3CC3)s2)c2ccccc21 ZINC000581051941 1020387936 /nfs/dbraw/zinc/38/79/36/1020387936.db2.gz UWJVVEQGOWTABQ-HUUCEWRRSA-N -1 0 342.468 3.844 20 0 EHADRM Cc1ccc(NC(=O)N(CC(=O)[O-])Cc2ccccc2)cc1Cl ZINC000581109243 1020434683 /nfs/dbraw/zinc/43/46/83/1020434683.db2.gz SFOARGDAEXYFFT-UHFFFAOYSA-N -1 0 332.787 3.767 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccccc2)s1)N1CCC[C@H]1C1CCCC1 ZINC000548154568 1020512048 /nfs/dbraw/zinc/51/20/48/1020512048.db2.gz MDVUPJHXAVHRIF-HNNXBMFYSA-N -1 0 342.468 3.814 20 0 EHADRM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CC1(C(=O)[O-])CCC1 ZINC000261805983 1020533807 /nfs/dbraw/zinc/53/38/07/1020533807.db2.gz ZEFVPQSYRWLCDJ-UHFFFAOYSA-N -1 0 330.211 3.597 20 0 EHADRM Cc1cscc1C(=O)NCc1c(C(=O)[O-])sc2ccsc21 ZINC000345852219 1020556380 /nfs/dbraw/zinc/55/63/80/1020556380.db2.gz AIHZFUZSEWUXQB-UHFFFAOYSA-N -1 0 337.447 3.961 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)c3ccc4c(c3)COC4)ccc2s1 ZINC000345895246 1020594357 /nfs/dbraw/zinc/59/43/57/1020594357.db2.gz BIKYAVFOLJLNBI-UHFFFAOYSA-N -1 0 339.372 3.882 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N(C)Cc2ccc(C)cc2)s1 ZINC000510383871 1020677105 /nfs/dbraw/zinc/67/71/05/1020677105.db2.gz YPTPLCWDXTXNEQ-UHFFFAOYSA-N -1 0 332.473 3.665 20 0 EHADRM CC(C)[C@@H](NC(=O)C[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1F ZINC000656485701 1020707885 /nfs/dbraw/zinc/70/78/85/1020707885.db2.gz DNSJZZJZEBYPSM-VQIMIIECSA-N -1 0 343.398 3.898 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)NCC[C@@]1(C)CC1(F)F)C1CCCCC1 ZINC000656485647 1020711650 /nfs/dbraw/zinc/71/16/50/1020711650.db2.gz HCFISKIKDNBEFX-HOTGVXAUSA-N -1 0 331.403 3.599 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cnn(C)c2-c2ccccc2)sc1C ZINC000340973538 1020720536 /nfs/dbraw/zinc/72/05/36/1020720536.db2.gz QJYVHEDSOXICSP-UHFFFAOYSA-N -1 0 347.465 3.566 20 0 EHADRM Cc1nn(C)cc1S(=O)(=O)[N-]c1c(C)cc(Cl)c2ccccc21 ZINC000340983605 1020750276 /nfs/dbraw/zinc/75/02/76/1020750276.db2.gz QTLLBZNUNSZWRH-UHFFFAOYSA-N -1 0 349.843 3.644 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)Nc1ccc2c(c1)C=CCCC2)C1CCC1 ZINC000656505989 1020765630 /nfs/dbraw/zinc/76/56/30/1020765630.db2.gz IKUVKTJHYYGPDS-CYBMUJFWSA-N -1 0 328.412 3.896 20 0 EHADRM CN(C)c1ccc2cc(NC(=O)c3cccc(Cl)c3[O-])ccc2n1 ZINC001125498798 1020855637 /nfs/dbraw/zinc/85/56/37/1020855637.db2.gz MGYPVASPHXDODJ-UHFFFAOYSA-N -1 0 341.798 3.912 20 0 EHADRM C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(O)c(C(F)(F)F)c1 ZINC000476130925 1032935971 /nfs/dbraw/zinc/93/59/71/1032935971.db2.gz BRWSWYFFUIOIET-VIFPVBQESA-N -1 0 343.276 3.956 20 0 EHADRM C/C=C/c1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)cc1 ZINC000341017952 1020863377 /nfs/dbraw/zinc/86/33/77/1020863377.db2.gz ABVKADGPMNBKET-QHHAFSJGSA-N -1 0 339.420 3.706 20 0 EHADRM COc1ccc(C2(C(=O)[N-]OCc3ccccc3)CCCC2)cc1 ZINC000058783669 1032937551 /nfs/dbraw/zinc/93/75/51/1032937551.db2.gz KRMWXMLYQRIOTR-UHFFFAOYSA-N -1 0 325.408 3.755 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cc(C)c(Cl)s2)cc1F ZINC000190241050 1020882729 /nfs/dbraw/zinc/88/27/29/1020882729.db2.gz IJPXGGVCQPCDGK-UHFFFAOYSA-N -1 0 335.809 3.658 20 0 EHADRM Cc1csc(S(=O)(=O)[N-]c2cnc(C(F)(F)F)c(C)c2)c1 ZINC000656637991 1021067826 /nfs/dbraw/zinc/06/78/26/1021067826.db2.gz STGWOEJKIVZYPC-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM COCCCC[C@@H](NC(=O)c1c([O-])cc(F)cc1F)c1ccccc1 ZINC000684337701 1021155582 /nfs/dbraw/zinc/15/55/82/1021155582.db2.gz HZAIMIVAMBTLCR-MRXNPFEDSA-N -1 0 349.377 3.958 20 0 EHADRM Cc1cnc([C@@H](C)Sc2n[n-]c(=NC3CCCCC3)s2)cn1 ZINC000518464013 1021206368 /nfs/dbraw/zinc/20/63/68/1021206368.db2.gz WZEDEGIVHLOFOU-LLVKDONJSA-N -1 0 335.502 3.656 20 0 EHADRM CC[C@@H]1CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])CCO1 ZINC000436765501 1021213087 /nfs/dbraw/zinc/21/30/87/1021213087.db2.gz PLUHJVFQHVLLCU-OAHLLOKOSA-N -1 0 345.826 3.964 20 0 EHADRM CCc1ccc(C)nc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000656737339 1021230649 /nfs/dbraw/zinc/23/06/49/1021230649.db2.gz BFIFZCGXMLZZHM-UHFFFAOYSA-N -1 0 344.358 3.772 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nnc(CCC(C)C)s2)c(C)s1 ZINC000656736989 1021230838 /nfs/dbraw/zinc/23/08/38/1021230838.db2.gz XBRSREIDZHDKIR-UHFFFAOYSA-N -1 0 345.515 3.606 20 0 EHADRM CO[C@H](CS(=O)(=O)[N-]c1nccc2ccccc21)C1CCCCC1 ZINC000656735939 1021231433 /nfs/dbraw/zinc/23/14/33/1021231433.db2.gz YHZNBPNIOGNOLH-QGZVFWFLSA-N -1 0 348.468 3.572 20 0 EHADRM CC(C)(C)[C@H]1CN(C(=O)c2c([O-])cc(Cl)cc2Cl)CCO1 ZINC000436805231 1021251234 /nfs/dbraw/zinc/25/12/34/1021251234.db2.gz RDMKOILBCRVKJQ-GFCCVEGCSA-N -1 0 332.227 3.586 20 0 EHADRM CC[C@@]1(C)CCCN(C(=O)c2cc(F)cc(Br)c2[O-])C1 ZINC000436856041 1021279748 /nfs/dbraw/zinc/27/97/48/1021279748.db2.gz XCGYZNKGMYTAQE-HNNXBMFYSA-N -1 0 344.224 3.946 20 0 EHADRM COc1cc(NC(=O)c2cc(F)c([O-])c(Cl)c2)cc(OC)c1C ZINC000436855814 1021283048 /nfs/dbraw/zinc/28/30/48/1021283048.db2.gz KEPLSIKAMQRGIN-UHFFFAOYSA-N -1 0 339.750 3.763 20 0 EHADRM Cc1cc(C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)cnn1 ZINC000436843337 1021288751 /nfs/dbraw/zinc/28/87/51/1021288751.db2.gz ZXKVRIFIZDWRQN-UHFFFAOYSA-N -1 0 332.574 3.703 20 0 EHADRM COc1ccc([C@@H]2CCC[N@@H+]2Cc2csc(C(=O)[O-])c2)cc1F ZINC000656762525 1021292969 /nfs/dbraw/zinc/29/29/69/1021292969.db2.gz DVIKEGJSLJOPIH-AWEZNQCLSA-N -1 0 335.400 3.931 20 0 EHADRM CCC1(CC)Oc2ccc(NC(=O)c3c(O)cccc3O)cc2O1 ZINC000436852253 1021294203 /nfs/dbraw/zinc/29/42/03/1021294203.db2.gz HQDGHAGORNORGR-UHFFFAOYSA-N -1 0 329.352 3.638 20 0 EHADRM O=C([O-])c1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c1Cl ZINC000656768620 1021301919 /nfs/dbraw/zinc/30/19/19/1021301919.db2.gz LTKYXXPKILTCPY-BBRMVZONSA-N -1 0 337.847 3.819 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000255341554 1021309898 /nfs/dbraw/zinc/30/98/98/1021309898.db2.gz DSOORZLMMKSHFM-AHKFDXCISA-N -1 0 343.448 3.606 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CCC(=O)c2ccc(Cl)cc2)c1 ZINC000436875847 1021320446 /nfs/dbraw/zinc/32/04/46/1021320446.db2.gz FSGYGMSUIZXOIU-UHFFFAOYSA-N -1 0 345.782 3.850 20 0 EHADRM Cc1cc2ccccc2nc1N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC000656781840 1021322261 /nfs/dbraw/zinc/32/22/61/1021322261.db2.gz NCGNRIIZIOQISS-OLZOCXBDSA-N -1 0 338.329 3.633 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CCOc2ccccc2Cl)c1 ZINC000436879626 1021330536 /nfs/dbraw/zinc/33/05/36/1021330536.db2.gz XUXGEVZHHKYMDK-UHFFFAOYSA-N -1 0 333.771 3.656 20 0 EHADRM Cc1nnc(-c2ccc(C(=O)Nc3cc(F)cc(Cl)c3[O-])cc2)o1 ZINC000436903473 1021348137 /nfs/dbraw/zinc/34/81/37/1021348137.db2.gz HWPVLCVCVCDVGH-UHFFFAOYSA-N -1 0 347.733 3.795 20 0 EHADRM O=S(=O)([N-]c1ccc2nc(C(F)F)sc2c1)c1ccoc1 ZINC000507582253 1021372225 /nfs/dbraw/zinc/37/22/25/1021372225.db2.gz JHIIBZFDZMYCKG-UHFFFAOYSA-N -1 0 330.337 3.628 20 0 EHADRM CC(C)Oc1cc(-c2noc(-c3cc(Cl)ccc3[O-])n2)ccn1 ZINC000436922089 1021378549 /nfs/dbraw/zinc/37/85/49/1021378549.db2.gz YOZZEROUZPUSKM-UHFFFAOYSA-N -1 0 331.759 3.945 20 0 EHADRM Cc1cc(Cl)cc([N-]S(=O)(=O)C[C@@H](C)c2ccccc2)c1O ZINC000317642213 1021426827 /nfs/dbraw/zinc/42/68/27/1021426827.db2.gz XBXRNSWYXISYFF-GFCCVEGCSA-N -1 0 339.844 3.899 20 0 EHADRM Clc1ccc(CN=c2[n-]nc(-c3ccon3)s2)c(Cl)c1 ZINC000341324821 1021436973 /nfs/dbraw/zinc/43/69/73/1021436973.db2.gz SQDZXBOVOWFTPS-UHFFFAOYSA-N -1 0 327.196 3.534 20 0 EHADRM C[C@H](Oc1cccc(-c2ccccc2OC[C@H]2CCOC2)c1)C(=O)[O-] ZINC000581677651 1021449166 /nfs/dbraw/zinc/44/91/66/1021449166.db2.gz IIKQXMWUTJEHQK-GJZGRUSLSA-N -1 0 342.391 3.621 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@]2(C(=O)[O-])CC2(C)C)cc1Cl ZINC000656849197 1021480744 /nfs/dbraw/zinc/48/07/44/1021480744.db2.gz JRJCXUGXTALGML-INIZCTEOSA-N -1 0 325.792 3.567 20 0 EHADRM CCCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)cc1 ZINC000607103645 1032988083 /nfs/dbraw/zinc/98/80/83/1032988083.db2.gz NJIYJFZAUNTYMN-UHFFFAOYSA-N -1 0 341.816 3.635 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-]c2ncc(C(C)(C)C)s2)c(F)c1 ZINC000519623656 1021578936 /nfs/dbraw/zinc/57/89/36/1021578936.db2.gz XVEMTQIUEPJHEE-UHFFFAOYSA-N -1 0 342.461 3.830 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(F)c(F)c2)C1(C)C ZINC000048617370 1021586343 /nfs/dbraw/zinc/58/63/43/1021586343.db2.gz OWKCRIAUCRMKPZ-RISCZKNCSA-N -1 0 343.395 3.848 20 0 EHADRM CCCCCc1nnc([N-]S(=O)(=O)c2cc(C)sc2C)s1 ZINC000437180587 1021626529 /nfs/dbraw/zinc/62/65/29/1021626529.db2.gz NYSHRCYRFGBYSM-UHFFFAOYSA-N -1 0 345.515 3.750 20 0 EHADRM O=C(N=c1[n-]ncs1)N(CC1CCCCC1)CC1CCCCC1 ZINC000516695040 1021653087 /nfs/dbraw/zinc/65/30/87/1021653087.db2.gz PDDCJRABDWDMFS-UHFFFAOYSA-N -1 0 336.505 3.955 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N(Cc1ccco1)c1ccccn1 ZINC001125532096 1021673310 /nfs/dbraw/zinc/67/33/10/1021673310.db2.gz NXNIZMCELIYBNM-UHFFFAOYSA-N -1 0 328.755 3.881 20 0 EHADRM Cc1cc(C)cc(N(CCC(=O)[O-])C(=O)N(C)Cc2ccccc2)c1 ZINC000548210184 1021715903 /nfs/dbraw/zinc/71/59/03/1021715903.db2.gz CWAAAHIUWODBDO-UHFFFAOYSA-N -1 0 340.423 3.837 20 0 EHADRM CC(C)c1ccc(S(=O)(=O)[N-]c2nc3cc(F)ccc3n2C)cc1 ZINC000437308079 1021718356 /nfs/dbraw/zinc/71/83/56/1021718356.db2.gz LFTLRKSYWWAUBP-UHFFFAOYSA-N -1 0 347.415 3.637 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)c(Cl)cn1)c1ccc(Cl)cc1 ZINC000437309467 1021731031 /nfs/dbraw/zinc/73/10/31/1021731031.db2.gz UUIYEGRTIPGRMS-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM O=[N+]([O-])c1cc(Cl)cc(CNc2ccc(-n3ccnc3)cc2)c1[O-] ZINC000155930679 1021735458 /nfs/dbraw/zinc/73/54/58/1021735458.db2.gz QDAFEGKGMCAYQP-UHFFFAOYSA-N -1 0 344.758 3.752 20 0 EHADRM CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3ccsc3)ccc2o1 ZINC000506690702 1021759494 /nfs/dbraw/zinc/75/94/94/1021759494.db2.gz SJFUMBDWHYQKJP-UHFFFAOYSA-N -1 0 336.438 3.988 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(C2CCC2)cc1 ZINC000439900291 1021814651 /nfs/dbraw/zinc/81/46/51/1021814651.db2.gz ISCPLYNNDIBLLX-KSZLIROESA-N -1 0 327.424 3.812 20 0 EHADRM Cc1cc(Br)ccc1C[S@@](=O)[C@@H](CC(C)C)C(=O)[O-] ZINC000578158435 1021824782 /nfs/dbraw/zinc/82/47/82/1021824782.db2.gz UIDBELWQYZSEFB-ORAYPTAESA-N -1 0 347.274 3.506 20 0 EHADRM Cc1n[n-]c(=N[C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)s1 ZINC000607142719 1033009264 /nfs/dbraw/zinc/00/92/64/1033009264.db2.gz AERLTKRKOYSRML-JIGDXULJSA-N -1 0 333.301 3.590 20 0 EHADRM Cc1cc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])ccc1Cl ZINC000439924701 1021831589 /nfs/dbraw/zinc/83/15/89/1021831589.db2.gz UHJTXFBEFWWXGT-BLLLJJGKSA-N -1 0 331.799 3.840 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000516929698 1021860084 /nfs/dbraw/zinc/86/00/84/1021860084.db2.gz LHVWODAWYJCXCT-VSVYTNTFSA-N -1 0 329.440 3.672 20 0 EHADRM CCc1n[n-]c(=NC(=O)N(C)[C@H]2CCC[C@@H]2c2ccc(C)cc2)s1 ZINC000437593032 1021983598 /nfs/dbraw/zinc/98/35/98/1021983598.db2.gz SWYALFDPDXXOOI-CABCVRRESA-N -1 0 344.484 3.631 20 0 EHADRM Cc1cccn2cc(Cc3noc(-c4ccc([O-])c(Cl)c4)n3)nc12 ZINC000517069868 1021995478 /nfs/dbraw/zinc/99/54/78/1021995478.db2.gz WCPRAMUIFULNDZ-UHFFFAOYSA-N -1 0 340.770 3.643 20 0 EHADRM C[C@@H](NC(=O)N(C)C1(C(=O)[O-])CCCC1)c1c(F)cccc1Cl ZINC000517068771 1021996071 /nfs/dbraw/zinc/99/60/71/1021996071.db2.gz FZVZLQGWTPNSKQ-SNVBAGLBSA-N -1 0 342.798 3.579 20 0 EHADRM O=S(=O)([N-]c1ccccc1COc1ccccc1)c1ccco1 ZINC000437656957 1022033365 /nfs/dbraw/zinc/03/33/65/1022033365.db2.gz STBCQZRSEGWAKM-UHFFFAOYSA-N -1 0 329.377 3.659 20 0 EHADRM Cc1cnc(C(=O)Nc2cccc(COCc3ccco3)c2)c([O-])c1 ZINC000426617890 1022044833 /nfs/dbraw/zinc/04/48/33/1022044833.db2.gz KJOFSTSLWFYXKA-UHFFFAOYSA-N -1 0 338.363 3.658 20 0 EHADRM O=S(=O)([N-]c1ccccc1O)c1c(Cl)ccc2ccccc21 ZINC000440296753 1022073906 /nfs/dbraw/zinc/07/39/06/1022073906.db2.gz WYXLLSBRWJJJTM-UHFFFAOYSA-N -1 0 333.796 4.000 20 0 EHADRM Oc1ccc(CNc2ccc(F)cc2OC2CCOCC2)cc1F ZINC000894401360 1022111466 /nfs/dbraw/zinc/11/14/66/1022111466.db2.gz DEHARJWKAWJMJQ-UHFFFAOYSA-N -1 0 335.350 3.840 20 0 EHADRM O=C(Nc1nc2c(c(=O)[nH]1)CCCC2)c1cccc(Cl)c1Cl ZINC000891629406 1022155484 /nfs/dbraw/zinc/15/54/84/1022155484.db2.gz AIZASNHYNSFTCG-UHFFFAOYSA-N -1 0 338.194 3.620 20 0 EHADRM CC(C)(C)c1csc(CNC(=O)C(F)(F)c2ccc(F)cc2)n1 ZINC000729439801 1022183649 /nfs/dbraw/zinc/18/36/49/1022183649.db2.gz ABJQDRJKNXFMEL-UHFFFAOYSA-N -1 0 342.386 3.988 20 0 EHADRM O=S(=O)([N-]c1ccc2nc(C3CC3)oc2c1)c1ccc(Cl)nc1 ZINC000175973068 1022248660 /nfs/dbraw/zinc/24/86/60/1022248660.db2.gz VKHNENMOFLWHLM-UHFFFAOYSA-N -1 0 349.799 3.554 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)N[C@H](C)c1cc2ccccc2s1 ZINC000519524698 1022270874 /nfs/dbraw/zinc/27/08/74/1022270874.db2.gz SBZFXAKFXFMXHT-NWDGAFQWSA-N -1 0 334.441 3.857 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1cccc(Nc2ccccc2)c1)C(=O)[O-] ZINC000655568486 1022271602 /nfs/dbraw/zinc/27/16/02/1022271602.db2.gz LINOWIQYPVPNDB-QGZVFWFLSA-N -1 0 326.396 3.517 20 0 EHADRM C[C@@H](NC(=O)N=c1[n-]nc(-c2ccco2)s1)[C@H](C)c1ccccc1 ZINC000473628298 1022279555 /nfs/dbraw/zinc/27/95/55/1022279555.db2.gz JGUDEEZWLVGWLL-NWDGAFQWSA-N -1 0 342.424 3.534 20 0 EHADRM CC(C)=CCC[C@H](C)CC(=O)N=c1nc(C2CCOCC2)[n-]s1 ZINC000629105371 1022332605 /nfs/dbraw/zinc/33/26/05/1022332605.db2.gz TWUPPJZEUPKJSM-ZDUSSCGKSA-N -1 0 337.489 3.565 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)N2CC[C@@H](C)C[C@@H]2C(=O)[O-])cc1 ZINC000517485305 1022371698 /nfs/dbraw/zinc/37/16/98/1022371698.db2.gz DSQIYMNJPTVQSQ-RHSMWYFYSA-N -1 0 348.443 3.829 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)N2CC[C@H](C)C[C@H]2C(=O)[O-])cc1 ZINC000517485309 1022372083 /nfs/dbraw/zinc/37/20/83/1022372083.db2.gz DSQIYMNJPTVQSQ-YOEHRIQHSA-N -1 0 348.443 3.829 20 0 EHADRM CCC(C)(C)C1CCC(CC(=O)N2CCc3c(nc[nH]c3=O)C2)CC1 ZINC000328664605 1022457517 /nfs/dbraw/zinc/45/75/17/1022457517.db2.gz BVYISXKTYDFZQJ-UHFFFAOYSA-N -1 0 345.487 3.700 20 0 EHADRM COc1cc(Nc2cnc(C)c(Br)c2)cc(C(=O)[O-])c1 ZINC001213584936 1022496446 /nfs/dbraw/zinc/49/64/46/1022496446.db2.gz KSPWTOHYOWXYHG-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM Clc1cccc(-c2noc(=NCCCCNc3ccccn3)[n-]2)c1 ZINC000517647627 1022536148 /nfs/dbraw/zinc/53/61/48/1022536148.db2.gz LPSXHIREZRRNSS-UHFFFAOYSA-N -1 0 343.818 3.511 20 0 EHADRM O=S(=O)([N-]c1ccccc1OCC1CC1)c1ccc(F)cc1F ZINC000303854023 1022588852 /nfs/dbraw/zinc/58/88/52/1022588852.db2.gz ORHXBVCPICGPOC-UHFFFAOYSA-N -1 0 339.363 3.554 20 0 EHADRM CC1(C)CN(Cc2ncc(Br)cc2[O-])[C@H]1c1cccnc1 ZINC000894585862 1022592155 /nfs/dbraw/zinc/59/21/55/1022592155.db2.gz VUEWHDARXNDVDD-HNNXBMFYSA-N -1 0 348.244 3.528 20 0 EHADRM CC(C)Oc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000509614545 1022664290 /nfs/dbraw/zinc/66/42/90/1022664290.db2.gz SCTKOKCQMATJOP-UHFFFAOYSA-N -1 0 327.352 3.553 20 0 EHADRM Cc1cc(CN=c2[n-]nc(C(C)(C)C)o2)sc1Br ZINC000330873361 1022690840 /nfs/dbraw/zinc/69/08/40/1022690840.db2.gz YSNFYNZHSAZZFC-UHFFFAOYSA-N -1 0 330.251 3.534 20 0 EHADRM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)N=c2[n-]nc(-c3ccccc3)s2)C1 ZINC000473770637 1022710365 /nfs/dbraw/zinc/71/03/65/1022710365.db2.gz MBTIKLRAAJIVHF-FRRDWIJNSA-N -1 0 330.457 3.525 20 0 EHADRM CC(C)c1nc(=NCc2cc(F)c(C(F)(F)F)cc2F)s[n-]1 ZINC000578792328 1022725499 /nfs/dbraw/zinc/72/54/99/1022725499.db2.gz RXWFPHBFMVALCO-UHFFFAOYSA-N -1 0 337.317 3.993 20 0 EHADRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(C)c(F)cc2F)c1C ZINC000331087891 1022739236 /nfs/dbraw/zinc/73/92/36/1022739236.db2.gz FCTVAQDZPPHNLD-SNVBAGLBSA-N -1 0 343.399 3.550 20 0 EHADRM CC(C)c1ccc(CNC(=O)N=c2[n-]nc(C(C)(C)C)s2)cc1 ZINC000510616160 1022764542 /nfs/dbraw/zinc/76/45/42/1022764542.db2.gz FCWPPIGVSYBYQR-UHFFFAOYSA-N -1 0 332.473 3.703 20 0 EHADRM COc1cc(C)cc([N-]S(=O)(=O)c2cc(C)sc2C)c1C ZINC000331320800 1022786963 /nfs/dbraw/zinc/78/69/63/1022786963.db2.gz CELZMESWWQYNAB-UHFFFAOYSA-N -1 0 325.455 3.791 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1cccc(C(C)(F)F)c1 ZINC000188555925 1022825653 /nfs/dbraw/zinc/82/56/53/1022825653.db2.gz FXYYTDOYFMOWBI-UHFFFAOYSA-N -1 0 327.352 3.608 20 0 EHADRM CC(C)(CC(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1)C(=O)[O-] ZINC000430907804 1022858514 /nfs/dbraw/zinc/85/85/14/1022858514.db2.gz SNKWQTUZRILQPZ-UHFFFAOYSA-N -1 0 331.334 3.966 20 0 EHADRM Cc1nc(CNCc2ccc(OCCC(C)C)cc2)sc1C(=O)[O-] ZINC000426686212 1022962481 /nfs/dbraw/zinc/96/24/81/1022962481.db2.gz CLHKOCOQBHBVIZ-UHFFFAOYSA-N -1 0 348.468 3.864 20 0 EHADRM Cc1ccc(-c2ncc(CNCc3cc(C(=O)[O-])co3)s2)cc1 ZINC000426701281 1022973308 /nfs/dbraw/zinc/97/33/08/1022973308.db2.gz ZRFAXUSGGKDHDF-UHFFFAOYSA-N -1 0 328.393 3.700 20 0 EHADRM O=C([O-])Cc1ccccc1CNCc1nc(-c2ccccc2)cs1 ZINC000426691378 1022978317 /nfs/dbraw/zinc/97/83/17/1022978317.db2.gz HFTHSAJAOOZPKI-UHFFFAOYSA-N -1 0 338.432 3.727 20 0 EHADRM COc1ccc(-c2ccccc2)cc1CNCc1cc(C(=O)[O-])co1 ZINC000426716738 1022984342 /nfs/dbraw/zinc/98/43/42/1022984342.db2.gz XTHICCPQSHQQNX-UHFFFAOYSA-N -1 0 337.375 3.943 20 0 EHADRM C[C@]1(Br)C[C@H]1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000528937507 1033097701 /nfs/dbraw/zinc/09/77/01/1033097701.db2.gz HOPUBWPNEBJZIK-KGFZYKRKSA-N -1 0 339.016 3.811 20 0 EHADRM CO[C@H](C)c1nc(=NCC2(c3ccc(F)cc3Cl)CC2)s[n-]1 ZINC000509547847 1023023981 /nfs/dbraw/zinc/02/39/81/1023023981.db2.gz BXEYXZHXVBEZQZ-SECBINFHSA-N -1 0 341.839 3.604 20 0 EHADRM O=C([O-])[C@@H](NCc1ccc(F)c(Cl)c1)c1c(F)cccc1F ZINC000426758814 1023028627 /nfs/dbraw/zinc/02/86/27/1023028627.db2.gz UPOVFVPDHRGZLQ-AWEZNQCLSA-N -1 0 329.705 3.673 20 0 EHADRM CC[C@@H](CN=c1nc([C@H](C)OC)[n-]s1)Oc1ccccc1Cl ZINC000509549917 1023028962 /nfs/dbraw/zinc/02/89/62/1023028962.db2.gz UITYVNUEBACRMF-QWRGUYRKSA-N -1 0 341.864 3.590 20 0 EHADRM COc1ccccc1[C@@H]([NH2+]Cc1ccc(OCC(C)C)cc1)C(=O)[O-] ZINC000426768918 1023033360 /nfs/dbraw/zinc/03/33/60/1023033360.db2.gz DITRPLCVVIVWKI-LJQANCHMSA-N -1 0 343.423 3.646 20 0 EHADRM Cc1cc2[nH]c(CN[C@@H](C(=O)[O-])c3ccccc3F)cc2c(C)c1 ZINC000426780994 1023040620 /nfs/dbraw/zinc/04/06/20/1023040620.db2.gz XCBJAFNUHUADLI-GOSISDBHSA-N -1 0 326.371 3.839 20 0 EHADRM CSc1nc(=O)n(Cc2cccc(Oc3ccc(Cl)cc3)c2)[n-]1 ZINC000684533429 1023045080 /nfs/dbraw/zinc/04/50/80/1023045080.db2.gz QFAXFHLCVVGHLH-UHFFFAOYSA-N -1 0 347.827 3.787 20 0 EHADRM O=C([O-])C[C@H](NCc1cc(F)cc(F)c1)c1ccc(F)cc1F ZINC000426786811 1023047671 /nfs/dbraw/zinc/04/76/71/1023047671.db2.gz YTRMAZWJEUIKAX-HNNXBMFYSA-N -1 0 327.277 3.549 20 0 EHADRM CO[C@@H](C)c1nc(=Nc2ccc(COc3ccccc3)cc2)s[n-]1 ZINC000509571300 1023059907 /nfs/dbraw/zinc/05/99/07/1023059907.db2.gz MCILDLAFTYHZOZ-ZDUSSCGKSA-N -1 0 341.436 3.990 20 0 EHADRM O=C([O-])[C@H](NCc1ccc(Br)cc1F)c1cccs1 ZINC000426819165 1023065233 /nfs/dbraw/zinc/06/52/33/1023065233.db2.gz UTHDHJBJKZHLKM-GFCCVEGCSA-N -1 0 344.205 3.565 20 0 EHADRM COc1ccccc1[C@H](NCc1csc2ccccc12)C(=O)[O-] ZINC000426823141 1023067069 /nfs/dbraw/zinc/06/70/69/1023067069.db2.gz HTPCJWXAWUNINV-KRWDZBQOSA-N -1 0 327.405 3.825 20 0 EHADRM COCc1ccccc1CNC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1 ZINC000237173272 1023067518 /nfs/dbraw/zinc/06/75/18/1023067518.db2.gz KLSLZWCNGIXNPB-HXUWFJFHSA-N -1 0 347.455 3.511 20 0 EHADRM COC[C@@H](NC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1)c1ccccc1 ZINC000237173612 1023082195 /nfs/dbraw/zinc/08/21/95/1023082195.db2.gz ZCKTVNRGJVARIX-YLJYHZDGSA-N -1 0 347.455 3.552 20 0 EHADRM CCCOc1c(Cl)cc(CN=c2[n-]c(CC)no2)cc1OCC ZINC000431026190 1023132826 /nfs/dbraw/zinc/13/28/26/1023132826.db2.gz QZAYBYWSJLNFGC-UHFFFAOYSA-N -1 0 339.823 3.507 20 0 EHADRM Cc1cccc(C)c1CS(=O)(=O)[N-]CC(F)(F)c1ccccc1 ZINC000519589146 1023132983 /nfs/dbraw/zinc/13/29/83/1023132983.db2.gz VLHSJZVWJCBKSK-UHFFFAOYSA-N -1 0 339.407 3.515 20 0 EHADRM O=C(c1ncccc1[O-])N(Cc1ccco1)c1ccc(Cl)cc1 ZINC000427014538 1023158692 /nfs/dbraw/zinc/15/86/92/1023158692.db2.gz HJOYOXAFZSOASR-UHFFFAOYSA-N -1 0 328.755 3.881 20 0 EHADRM Cc1c(NC(=O)CCCOc2cccc(F)c2)cccc1C(=O)[O-] ZINC000618074480 1023169879 /nfs/dbraw/zinc/16/98/79/1023169879.db2.gz HKXZUMSDQVKUIR-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM COc1ccc(F)c([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)c1 ZINC000439060227 1023235761 /nfs/dbraw/zinc/23/57/61/1023235761.db2.gz XKFLXBHVZAPRNW-UHFFFAOYSA-N -1 0 343.445 3.994 20 0 EHADRM Cc1cccc(N=c2[n-]nc(SCCOCC(F)(F)F)s2)c1 ZINC000518354271 1023256130 /nfs/dbraw/zinc/25/61/30/1023256130.db2.gz BXFONAXLLRLNER-UHFFFAOYSA-N -1 0 349.403 3.683 20 0 EHADRM CSc1ccc(CCCC(=O)N(CCC(=O)[O-])CC(C)C)cc1 ZINC000518379198 1023267129 /nfs/dbraw/zinc/26/71/29/1023267129.db2.gz GSKNYJOEUJLDPP-UHFFFAOYSA-N -1 0 337.485 3.691 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2cccc3c2N=S=N3)cc1C ZINC000134773368 1033125016 /nfs/dbraw/zinc/12/50/16/1033125016.db2.gz BVZKIQIUAQIXEJ-UHFFFAOYSA-N -1 0 347.421 3.725 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cccc3cc[nH]c32)c1 ZINC000548477908 1023442771 /nfs/dbraw/zinc/44/27/71/1023442771.db2.gz LTDQGRNSQCTJDR-UHFFFAOYSA-N -1 0 337.404 3.825 20 0 EHADRM CC(C)Oc1ccccc1[C@@H](C)NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000548478395 1023443092 /nfs/dbraw/zinc/44/30/92/1023443092.db2.gz RTRWMFWNJLCSOR-GFCCVEGCSA-N -1 0 345.370 3.802 20 0 EHADRM Cc1ccc(Br)c(NC(=O)CC2(C(=O)[O-])CCCC2)c1 ZINC000133062027 1023466961 /nfs/dbraw/zinc/46/69/61/1023466961.db2.gz BXWSDFDDEFDHMI-UHFFFAOYSA-N -1 0 340.217 3.731 20 0 EHADRM C[C@H](CN(C)C(=O)N=c1[n-]nc(C(F)F)s1)C1CCCCC1 ZINC000528948647 1033138306 /nfs/dbraw/zinc/13/83/06/1033138306.db2.gz WMTSKEZLTNISOO-SECBINFHSA-N -1 0 332.420 3.578 20 0 EHADRM O=C([N-]Cc1ccc(Oc2cccnc2)c(F)c1)C(F)(F)C(F)F ZINC000176183124 1023513814 /nfs/dbraw/zinc/51/38/14/1023513814.db2.gz DPAMAHBQZXVDMM-UHFFFAOYSA-N -1 0 346.255 3.530 20 0 EHADRM O=C([O-])c1cccc(NC(=O)CCCc2nc3ccccc3s2)c1 ZINC000238221481 1023515191 /nfs/dbraw/zinc/51/51/91/1023515191.db2.gz FPXXNYGZAIGCKY-UHFFFAOYSA-N -1 0 340.404 3.956 20 0 EHADRM COc1ccc(C[NH2+][C@@H](CC(=O)[O-])c2ccsc2)cc1Cl ZINC000276977179 1023523617 /nfs/dbraw/zinc/52/36/17/1023523617.db2.gz HRKBXVKSMBLRBT-ZDUSSCGKSA-N -1 0 325.817 3.716 20 0 EHADRM Cn1c(C(=O)Nc2ncccc2O)cc2cc(C(F)(F)F)ccc21 ZINC000341889506 1023596391 /nfs/dbraw/zinc/59/63/91/1023596391.db2.gz OUHMVIUUJHQTNH-UHFFFAOYSA-N -1 0 335.285 3.550 20 0 EHADRM COc1cc(Nc2ccc(C(=O)[O-])cc2C)c(C(C)=O)cc1OC ZINC001211622846 1033148541 /nfs/dbraw/zinc/14/85/41/1033148541.db2.gz NYMKKFCKOHNFFS-UHFFFAOYSA-N -1 0 329.352 3.657 20 0 EHADRM COC(=O)c1occc1/C=C\c1nc2ccc(C(=O)[O-])cc2s1 ZINC000431555487 1033149432 /nfs/dbraw/zinc/14/94/32/1033149432.db2.gz GFTVHKLNFKCJFQ-HYXAFXHYSA-N -1 0 329.333 3.545 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)c1 ZINC000528972710 1033158467 /nfs/dbraw/zinc/15/84/67/1033158467.db2.gz FJKKOFCOJSEMMP-HOTGVXAUSA-N -1 0 327.355 3.866 20 0 EHADRM CC(=O)Nc1cccc(NC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)c1 ZINC000236579250 1023998420 /nfs/dbraw/zinc/99/84/20/1023998420.db2.gz FHSSHKWASSBBLG-LJQANCHMSA-N -1 0 346.427 3.645 20 0 EHADRM Cc1ccc(C(=O)NCC(C)(C)C(=O)[O-])c(Sc2ccccc2)c1 ZINC000191015602 1024016305 /nfs/dbraw/zinc/01/63/05/1024016305.db2.gz ZRULEQGZNJIKKV-UHFFFAOYSA-N -1 0 343.448 3.987 20 0 EHADRM COc1ccc([C@@H](NCc2ccc(SC)s2)C(=O)[O-])cc1F ZINC000417561345 1024042271 /nfs/dbraw/zinc/04/22/71/1024042271.db2.gz AXXOPCLIICMFCP-CQSZACIVSA-N -1 0 341.429 3.533 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)s1 ZINC000036123047 1024047673 /nfs/dbraw/zinc/04/76/73/1024047673.db2.gz BBIJZZXVFYQAKF-UHFFFAOYSA-N -1 0 336.463 3.981 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)C1(c2ccc(F)cc2)CCCCC1 ZINC000522540993 1024051029 /nfs/dbraw/zinc/05/10/29/1024051029.db2.gz PKFLIWQEWOFZSX-UHFFFAOYSA-N -1 0 339.414 3.756 20 0 EHADRM Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)CCCC(=O)[O-])cc1 ZINC000657205857 1024095010 /nfs/dbraw/zinc/09/50/10/1024095010.db2.gz NAJNKCDYONSEGH-UHFFFAOYSA-N -1 0 340.301 3.544 20 0 EHADRM COCCOc1cccc(-c2ccc(OC(C)(C)C(=O)[O-])cc2)c1 ZINC000657204606 1024097070 /nfs/dbraw/zinc/09/70/70/1024097070.db2.gz RRIQJYVSFCRJCE-UHFFFAOYSA-N -1 0 330.380 3.621 20 0 EHADRM COc1ccc([C@@H]2CCCN2C(=O)c2cc(F)ccc2O)c(OC)c1 ZINC000093908349 1024098680 /nfs/dbraw/zinc/09/86/80/1024098680.db2.gz PFELJHRXHRHXQN-INIZCTEOSA-N -1 0 345.370 3.526 20 0 EHADRM CCc1ccc(OCC(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000191427619 1024101684 /nfs/dbraw/zinc/10/16/84/1024101684.db2.gz RNOOTXHOXPVVFK-CQSZACIVSA-N -1 0 341.407 3.530 20 0 EHADRM COC[C@H](C)Oc1cccc(-c2cccc([C@@H]3C[C@H]3C(=O)[O-])c2)c1 ZINC000657205291 1024111093 /nfs/dbraw/zinc/11/10/93/1024111093.db2.gz IVIBMWIJYCSSFJ-FASAQXTFSA-N -1 0 326.392 3.955 20 0 EHADRM COc1cccc([C@H](C)NC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)c1 ZINC000522622534 1024122701 /nfs/dbraw/zinc/12/27/01/1024122701.db2.gz YGWMKBIRMHXHDF-VBKZILBWSA-N -1 0 347.455 3.934 20 0 EHADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-c2ccc(C)cc2)cc1F ZINC000785092642 1024133030 /nfs/dbraw/zinc/13/30/30/1024133030.db2.gz DXCJLQMYIQLLSD-ZDUSSCGKSA-N -1 0 349.427 3.659 20 0 EHADRM CC[C@H](C)[C@@H]([N-]S(=O)(=O)Cc1ccc(C)c(F)c1)C(F)(F)F ZINC000443936591 1024134570 /nfs/dbraw/zinc/13/45/70/1024134570.db2.gz RFUMGBOHFZNSNR-TVQRCGJNSA-N -1 0 341.370 3.531 20 0 EHADRM C[C@H](NC(=O)CC1(C(=O)[O-])CCCC1)c1cccc(OC(F)F)c1 ZINC000324173100 1024273615 /nfs/dbraw/zinc/27/36/15/1024273615.db2.gz GFQFBPXIDKOBHX-NSHDSACASA-N -1 0 341.354 3.500 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000472015985 1024307410 /nfs/dbraw/zinc/30/74/10/1024307410.db2.gz BMOPMFRMZVWTHE-GOSISDBHSA-N -1 0 339.439 3.632 20 0 EHADRM CCn1nc(CN[C@@H](C(=O)[O-])c2cccc(C)c2C)c2ccccc21 ZINC000277247510 1024329947 /nfs/dbraw/zinc/32/99/47/1024329947.db2.gz JPSKIXZJRBGRTI-LJQANCHMSA-N -1 0 337.423 3.589 20 0 EHADRM Cc1cc(NS(=O)(=O)c2ccc(CC(C)C)cc2)ccc1C(=O)[O-] ZINC000324302512 1024375241 /nfs/dbraw/zinc/37/52/41/1024375241.db2.gz WKIDOWMVCSMZEZ-UHFFFAOYSA-N -1 0 347.436 3.693 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1ncc(C)c(=O)[nH]1 ZINC000657261623 1024406831 /nfs/dbraw/zinc/40/68/31/1024406831.db2.gz NAUZPUCEQKNRRH-JTQLQIEISA-N -1 0 337.832 3.572 20 0 EHADRM CC(C)c1cnc(-c2ccc(NC(=O)N(C)C[C@H](C)C(=O)[O-])cc2)o1 ZINC000417741828 1024462303 /nfs/dbraw/zinc/46/23/03/1024462303.db2.gz ASFBPMXFVJFJRX-LBPRGKRZSA-N -1 0 345.399 3.649 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3C)[nH]n2)s1 ZINC000434961955 1024520319 /nfs/dbraw/zinc/52/03/19/1024520319.db2.gz INJFIQABTKWDJD-UHFFFAOYSA-N -1 0 333.438 3.556 20 0 EHADRM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cc(F)ccc2C)n[nH]1 ZINC000434970872 1024532035 /nfs/dbraw/zinc/53/20/35/1024532035.db2.gz FEFWSGZSKMYXOC-UHFFFAOYSA-N -1 0 345.399 3.633 20 0 EHADRM O=C(N=c1cccn[n-]1)[C@@H](Sc1ccc(F)cc1)c1ccccc1 ZINC000346050449 1024544597 /nfs/dbraw/zinc/54/45/97/1024544597.db2.gz DTVYORUZKNMGFX-KRWDZBQOSA-N -1 0 339.395 3.510 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000327270511 1024616338 /nfs/dbraw/zinc/61/63/38/1024616338.db2.gz XNFGLEQOMDGKDT-MYZZLAAOSA-N -1 0 341.451 3.804 20 0 EHADRM CCC[C@@H](CNC(=O)c1ccc(SC(F)(F)F)cc1)C(=O)[O-] ZINC000262139024 1024648064 /nfs/dbraw/zinc/64/80/64/1024648064.db2.gz MDWZSLCWAUNYDN-JTQLQIEISA-N -1 0 335.347 3.529 20 0 EHADRM CCCCN(CC)C(=O)c1cccc(C(=O)N(CC)CCCC)c1[O-] ZINC000281123716 1024651927 /nfs/dbraw/zinc/65/19/27/1024651927.db2.gz IJFCJDCUOFXDMK-UHFFFAOYSA-N -1 0 348.487 3.917 20 0 EHADRM Cc1cnn(-c2ccc(C)cc2[N-]S(=O)(=O)c2ccc(C)s2)c1 ZINC000435141601 1024655588 /nfs/dbraw/zinc/65/55/88/1024655588.db2.gz AIYPPTDBXGKSPM-UHFFFAOYSA-N -1 0 347.465 3.660 20 0 EHADRM Cc1cc(C(=O)N([C@H](C)C(=O)[O-])C2CC2)sc1-c1ccc(F)cc1 ZINC000262143261 1024673295 /nfs/dbraw/zinc/67/32/95/1024673295.db2.gz MDSLHGAIGJOVJH-LLVKDONJSA-N -1 0 347.411 3.940 20 0 EHADRM CCCN(Cc1ccccc1)C(=O)CCc1ccccc1C(=O)[O-] ZINC000262239025 1024766074 /nfs/dbraw/zinc/76/60/74/1024766074.db2.gz UCVKEVPYGIFRAK-UHFFFAOYSA-N -1 0 325.408 3.756 20 0 EHADRM CC(C)C[C@H](C(=O)[O-])N(C)C(=O)NCc1ccc(Cl)cc1Cl ZINC000684710501 1024844580 /nfs/dbraw/zinc/84/45/80/1024844580.db2.gz JULZFIPITNWTQC-CYBMUJFWSA-N -1 0 347.242 3.634 20 0 EHADRM C[C@@H](NC(=O)N1CCCCC[C@@H]1C(=O)[O-])c1cc2ccccc2o1 ZINC000684713299 1024883772 /nfs/dbraw/zinc/88/37/72/1024883772.db2.gz FHMSNQSFNBRYLK-TZMCWYRMSA-N -1 0 330.384 3.533 20 0 EHADRM CO[C@@H](C)Cc1nc(=O)c2sc(-c3ccccc3Cl)cc2[n-]1 ZINC000157354153 1024890890 /nfs/dbraw/zinc/89/08/90/1024890890.db2.gz FCVZIBWFZKPGNX-VIFPVBQESA-N -1 0 334.828 3.882 20 0 EHADRM C[C@@H](NC(=O)N(C)C1(C(=O)[O-])CCCC1)c1cc2ccccc2o1 ZINC000684714525 1024898535 /nfs/dbraw/zinc/89/85/35/1024898535.db2.gz LQLIQRXSPGNCFD-GFCCVEGCSA-N -1 0 330.384 3.533 20 0 EHADRM COc1ccc(Br)nc1Nc1cc(C)cc(C(=O)[O-])c1 ZINC001211537451 1024902576 /nfs/dbraw/zinc/90/25/76/1024902576.db2.gz KEFMQSLXWKAVCX-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM O=S(=O)([N-]c1cc(C2CC2)[nH]n1)c1c(Cl)ccc2ccccc21 ZINC000474414424 1024926277 /nfs/dbraw/zinc/92/62/77/1024926277.db2.gz LMKJRJAESMLEGY-UHFFFAOYSA-N -1 0 347.827 3.895 20 0 EHADRM CC(C)(C)[C@@H]1CCc2nc([N-]S(=O)(=O)c3ccoc3)sc2C1 ZINC000508201882 1024959736 /nfs/dbraw/zinc/95/97/36/1024959736.db2.gz CBMGAOXGTCDGNW-SNVBAGLBSA-N -1 0 340.470 3.688 20 0 EHADRM C[C@H](c1ccccc1)[C@@](C)(O)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474432828 1024960265 /nfs/dbraw/zinc/96/02/65/1024960265.db2.gz NUBKRGYMOITVPK-BMLIUANNSA-N -1 0 337.778 3.678 20 0 EHADRM Cc1ccc([C@H](C)[C@@H](O)C(=O)Nc2cc(F)cc(Cl)c2[O-])cc1 ZINC000474436975 1024972802 /nfs/dbraw/zinc/97/28/02/1024972802.db2.gz OVTUXOBNJPWTBW-ZUZCIYMTSA-N -1 0 337.778 3.596 20 0 EHADRM CC(C)Oc1cccc([C@@H](C)NC(=O)N2CCCCC[C@@H]2C(=O)[O-])c1 ZINC000684720701 1024977544 /nfs/dbraw/zinc/97/75/44/1024977544.db2.gz LJCZBBZGJJUIPT-RHSMWYFYSA-N -1 0 348.443 3.574 20 0 EHADRM C[C@H](Oc1ccccc1F)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474446090 1024982391 /nfs/dbraw/zinc/98/23/91/1024982391.db2.gz NPQRJMQLPSOGMM-QMMMGPOBSA-N -1 0 327.714 3.730 20 0 EHADRM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Cc2cccc(C(=O)[O-])c2)o1 ZINC000262152697 1025038407 /nfs/dbraw/zinc/03/84/07/1025038407.db2.gz JRYIGFUCERHKTE-SUMWQHHRSA-N -1 0 341.407 3.829 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)N1CCCCC[C@@H]1C(=O)[O-] ZINC000684725432 1025049378 /nfs/dbraw/zinc/04/93/78/1025049378.db2.gz HBJXHWDCHWBEIC-DOTOQJQBSA-N -1 0 346.471 3.782 20 0 EHADRM Cc1cccc(CSCC(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000013170011 1025054489 /nfs/dbraw/zinc/05/44/89/1025054489.db2.gz KOIGPDOELCAJGO-UHFFFAOYSA-N -1 0 329.421 3.874 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc2c(s1)CCCCC2 ZINC000013225418 1025077515 /nfs/dbraw/zinc/07/75/15/1025077515.db2.gz QVHCETXXGCWHCV-QEJZJMRPSA-N -1 0 347.480 3.875 20 0 EHADRM Cc1ccc(CSCC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000013224752 1025077824 /nfs/dbraw/zinc/07/78/24/1025077824.db2.gz QSVRTPKVZUMMGE-KRWDZBQOSA-N -1 0 343.448 3.560 20 0 EHADRM CC[C@@H]1CCC[C@@H](NC(=O)N(CC(=O)[O-])[C@@H](C)c2ccccc2)C1 ZINC000684733791 1025090613 /nfs/dbraw/zinc/09/06/13/1025090613.db2.gz DJVREYZIXLMYGN-ZMSDIMECSA-N -1 0 332.444 3.813 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC000262155616 1025092077 /nfs/dbraw/zinc/09/20/77/1025092077.db2.gz OGYADCZUHJJDQE-LPHOPBHVSA-N -1 0 339.435 3.773 20 0 EHADRM CC[C@@H](Oc1nc[n-]c(=O)c1Br)c1ccccc1F ZINC001226723380 1025094062 /nfs/dbraw/zinc/09/40/62/1025094062.db2.gz WYRRIOQSKOBSED-SNVBAGLBSA-N -1 0 327.153 3.614 20 0 EHADRM Cc1nc([C@H](C)NC(=O)[C@H]2CCCC[C@H]2C2CC2)sc1C(=O)[O-] ZINC000582065620 1025136707 /nfs/dbraw/zinc/13/67/07/1025136707.db2.gz YXIMHCHNBLCQDJ-DRZSPHRISA-N -1 0 336.457 3.543 20 0 EHADRM C[C@@H](NC(=O)N1CCCCC[C@H]1C(=O)[O-])c1c(F)cccc1Cl ZINC000684739289 1025157059 /nfs/dbraw/zinc/15/70/59/1025157059.db2.gz KJKRSRQTYQDGNZ-MFKMUULPSA-N -1 0 342.798 3.579 20 0 EHADRM CCc1ccc(C(=O)N2C[C@@H](c3ccccc3)OC[C@H]2C)c(O)c1 ZINC000190964620 1025197722 /nfs/dbraw/zinc/19/77/22/1025197722.db2.gz KCGYALWZXWHYSZ-KUHUBIRLSA-N -1 0 325.408 3.557 20 0 EHADRM CCc1cccnc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000444052399 1025203505 /nfs/dbraw/zinc/20/35/05/1025203505.db2.gz RKYXTSAEXOGNRL-UHFFFAOYSA-N -1 0 348.321 3.603 20 0 EHADRM COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(F)c2F)c(C)c1 ZINC000442247738 1025225308 /nfs/dbraw/zinc/22/53/08/1025225308.db2.gz FYSMHAJNRMXJSU-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM CCCN(Cc1c([O-])nnn1-c1ccccc1)Cc1ccc(F)cc1 ZINC000521144746 1025226901 /nfs/dbraw/zinc/22/69/01/1025226901.db2.gz FAIPZVDELUMGKY-UHFFFAOYSA-N -1 0 340.402 3.524 20 0 EHADRM C/C=C/C[C@@H](NC(=O)Nc1ccc2ccn(CCC)c2c1)C(=O)[O-] ZINC000684748854 1025256708 /nfs/dbraw/zinc/25/67/08/1025256708.db2.gz QTOGMBQOLZDZCW-SJDLMVEWSA-N -1 0 329.400 3.592 20 0 EHADRM CCCn1ccc2ccc(NC(=O)N3CCCCC[C@@H]3C(=O)[O-])cc21 ZINC000684748844 1025257708 /nfs/dbraw/zinc/25/77/08/1025257708.db2.gz QLIREAMIEWJONZ-MRXNPFEDSA-N -1 0 343.427 3.912 20 0 EHADRM CCCOc1cccc([N-]S(=O)(=O)c2ccccc2SC)c1 ZINC000436024057 1025308768 /nfs/dbraw/zinc/30/87/68/1025308768.db2.gz HMHFJTQTFSOTMQ-UHFFFAOYSA-N -1 0 337.466 3.998 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2cccn2C2CCCC2)cc1 ZINC000191019670 1025343878 /nfs/dbraw/zinc/34/38/78/1025343878.db2.gz KDGTVIHRAQNLDN-UHFFFAOYSA-N -1 0 326.396 3.873 20 0 EHADRM COc1cc(C(=O)N[C@@H](C)c2ccc(SC)cc2)cc(OC)c1O ZINC000281684346 1025371163 /nfs/dbraw/zinc/37/11/63/1025371163.db2.gz KUNJPXQPUMPIMI-NSHDSACASA-N -1 0 347.436 3.622 20 0 EHADRM CO[C@@H](C)c1nc(=NC(=O)[C@H](C)c2ccc3ccccc3c2)s[n-]1 ZINC000511080366 1025383113 /nfs/dbraw/zinc/38/31/13/1025383113.db2.gz OJXMCOWIGWDPEF-NEPJUHHUSA-N -1 0 341.436 3.563 20 0 EHADRM CC(C)[C@H](NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000013468922 1025398129 /nfs/dbraw/zinc/39/81/29/1025398129.db2.gz HKOXDNJZGCZYFF-FPOVZHCZSA-N -1 0 339.435 3.933 20 0 EHADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(OCCC(C)C)cc1 ZINC000515616185 1025412993 /nfs/dbraw/zinc/41/29/93/1025412993.db2.gz VRPJEEKSFGSSGU-UHFFFAOYSA-N -1 0 349.452 3.921 20 0 EHADRM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000436174890 1025446648 /nfs/dbraw/zinc/44/66/48/1025446648.db2.gz KOGPKXXBGQZDSQ-UHFFFAOYSA-N -1 0 340.326 3.694 20 0 EHADRM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1ccc(-c2ccccc2)o1 ZINC000342436773 1025462601 /nfs/dbraw/zinc/46/26/01/1025462601.db2.gz RKFRIGOKLAVLDN-UHFFFAOYSA-N -1 0 347.330 3.542 20 0 EHADRM Cc1cc(Cl)c(C(=O)[O-])cc1NS(=O)(=O)CCC(C)(C)C ZINC000451058883 1025480765 /nfs/dbraw/zinc/48/07/65/1025480765.db2.gz BHMYBLWUZNHWDH-UHFFFAOYSA-N -1 0 333.837 3.525 20 0 EHADRM C[C@](CC(=O)NCc1c(F)cccc1Cl)(C(=O)[O-])c1ccccc1 ZINC000347085519 1025506995 /nfs/dbraw/zinc/50/69/95/1025506995.db2.gz LUWHPTRZNSMHAI-GOSISDBHSA-N -1 0 349.789 3.528 20 0 EHADRM O=S(=O)([N-]c1ccc2ccoc2c1)c1cnc2ccsc2c1 ZINC000442842510 1025532266 /nfs/dbraw/zinc/53/22/66/1025532266.db2.gz BOWOMOPSMDGAIZ-UHFFFAOYSA-N -1 0 330.390 3.843 20 0 EHADRM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1scnc1C(C)C ZINC000451101593 1025562289 /nfs/dbraw/zinc/56/22/89/1025562289.db2.gz FAYIHGJAJSRJFT-UHFFFAOYSA-N -1 0 347.465 3.924 20 0 EHADRM Cc1nc2cc(NC(=O)c3cc(F)c([O-])c(Cl)c3)ccc2n1C ZINC000582199829 1025568438 /nfs/dbraw/zinc/56/84/38/1025568438.db2.gz WPGGEMAKRPXJOX-UHFFFAOYSA-N -1 0 333.750 3.632 20 0 EHADRM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000329054356 1025581496 /nfs/dbraw/zinc/58/14/96/1025581496.db2.gz HUDQFSVFMYARJM-DAXOMENPSA-N -1 0 341.411 3.575 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N[C@@H](C)c2cccc(OC)c2)s1 ZINC000515776770 1025587757 /nfs/dbraw/zinc/58/77/57/1025587757.db2.gz LSXKIPBSMYCDIC-NSHDSACASA-N -1 0 348.472 3.755 20 0 EHADRM CC(=O)c1cc(F)c(NC(=O)c2oc3c(c2C)C(=O)CCC3)c(F)c1 ZINC000347184708 1025629347 /nfs/dbraw/zinc/62/93/47/1025629347.db2.gz XTQYHJWYJAQLCW-UHFFFAOYSA-N -1 0 347.317 3.840 20 0 EHADRM CC(C)(C)CS(=O)(=O)[N-][C@@H](CCc1ccccc1)C(F)(F)F ZINC000443038542 1025674085 /nfs/dbraw/zinc/67/40/85/1025674085.db2.gz OWODBVIFSHWBSC-ZDUSSCGKSA-N -1 0 337.407 3.516 20 0 EHADRM CC(C)(C)[C@H](NC(=O)N=c1[n-]nc(C2CC2)s1)c1cccc(F)c1 ZINC000582277172 1025726449 /nfs/dbraw/zinc/72/64/49/1025726449.db2.gz OOMDCKQDQDUASY-CYBMUJFWSA-N -1 0 348.447 3.885 20 0 EHADRM O=C(CCOCC1CC1)Nc1cc(Br)cc(Cl)c1[O-] ZINC000342471600 1025737056 /nfs/dbraw/zinc/73/70/56/1025737056.db2.gz IQXZKKGFCTVXAA-UHFFFAOYSA-N -1 0 348.624 3.563 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cnc3ccc(F)cc3c2)cc1F ZINC000436480407 1025755827 /nfs/dbraw/zinc/75/58/27/1025755827.db2.gz VZRADOGEMCUTFS-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM CCCn1ncc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)c1C1CC1 ZINC000158307774 1025773525 /nfs/dbraw/zinc/77/35/25/1025773525.db2.gz JQWXSZSTBZRZQE-UHFFFAOYSA-N -1 0 342.424 3.853 20 0 EHADRM CCCC[C@@H](NC(=O)c1cccc(OCc2cccs2)c1)C(=O)[O-] ZINC000347271865 1025777688 /nfs/dbraw/zinc/77/76/88/1025777688.db2.gz VNLKGTQISGOCAW-MRXNPFEDSA-N -1 0 347.436 3.700 20 0 EHADRM O=C(NCc1ccncc1C(F)(F)F)c1cc(F)cc(Cl)c1[O-] ZINC000548723236 1025786537 /nfs/dbraw/zinc/78/65/37/1025786537.db2.gz DGBIRRMAKCENQG-UHFFFAOYSA-N -1 0 348.683 3.529 20 0 EHADRM [O-]c1cc(Cl)ccc1-c1nc(-c2ccnc(OC(F)F)c2)no1 ZINC000436486946 1025789921 /nfs/dbraw/zinc/78/99/21/1025789921.db2.gz JOHSSIWLNKAWEF-UHFFFAOYSA-N -1 0 339.685 3.759 20 0 EHADRM O=C(NCCCc1c[nH]c2ccc(F)cc12)c1ccc(O)cc1F ZINC000436512696 1025806688 /nfs/dbraw/zinc/80/66/88/1025806688.db2.gz MTBBEWZMFSJAAT-UHFFFAOYSA-N -1 0 330.334 3.514 20 0 EHADRM Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2c(O)cccc2F)cc1 ZINC000436511341 1025807846 /nfs/dbraw/zinc/80/78/46/1025807846.db2.gz IGZIBAHAVDSJBP-HNAYVOBHSA-N -1 0 343.398 3.737 20 0 EHADRM C[C@@H](NC(=O)c1ccc(F)cc1[O-])c1cccc(OC(F)F)c1 ZINC000436529840 1025835446 /nfs/dbraw/zinc/83/54/46/1025835446.db2.gz SVEDNXCEFAMBTD-SECBINFHSA-N -1 0 325.286 3.624 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)c2ccc(-c3ccccc3)[nH]2)s1 ZINC000521969466 1025836277 /nfs/dbraw/zinc/83/62/77/1025836277.db2.gz TWOPCNVUJSRAME-UHFFFAOYSA-N -1 0 326.425 3.550 20 0 EHADRM C[C@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])c1cc2ccccc2o1 ZINC000216183441 1025862218 /nfs/dbraw/zinc/86/22/18/1025862218.db2.gz QHTKTAKWHLZJNL-ZDUSSCGKSA-N -1 0 347.374 3.815 20 0 EHADRM O=C(c1c([O-])cccc1F)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000436557812 1025866597 /nfs/dbraw/zinc/86/65/97/1025866597.db2.gz VQCLEAXPTDPXBN-UXLLHSPISA-N -1 0 325.383 3.940 20 0 EHADRM CC[C@@H]1COCCN1C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436544976 1025874020 /nfs/dbraw/zinc/87/40/20/1025874020.db2.gz FFDQEPRGYOCEMV-OAHLLOKOSA-N -1 0 345.826 3.964 20 0 EHADRM CC1(C)Cc2cccc(NC(=O)c3cc(F)c(F)c([O-])c3F)c2O1 ZINC000530459533 1025875410 /nfs/dbraw/zinc/87/54/10/1025875410.db2.gz NWIHBVXYLHYDJI-UHFFFAOYSA-N -1 0 337.297 3.775 20 0 EHADRM O=C([O-])CN(Cc1coc(-c2ccc(F)c(F)c2)n1)c1ccccc1 ZINC000347356549 1025876369 /nfs/dbraw/zinc/87/63/69/1025876369.db2.gz RQRCNJPLKHIJFM-UHFFFAOYSA-N -1 0 344.317 3.711 20 0 EHADRM CC(C)CC[C@@](C)(O)CNC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000436576300 1025883562 /nfs/dbraw/zinc/88/35/62/1025883562.db2.gz QFACOFJAXRUGEI-OAHLLOKOSA-N -1 0 334.243 3.616 20 0 EHADRM CC1(S(=O)(=O)[N-][C@H](c2cccc3ccccc32)C(F)(F)F)CC1 ZINC000451384631 1025885100 /nfs/dbraw/zinc/88/51/00/1025885100.db2.gz ONSIUWHPOUBDDH-CQSZACIVSA-N -1 0 343.370 3.915 20 0 EHADRM O=C(c1ccc2ccccc2c1O)N1CCC[C@]2(CCCOC2)C1 ZINC000436570636 1025900708 /nfs/dbraw/zinc/90/07/08/1025900708.db2.gz ADPOHZGBSGGCAK-FQEVSTJZSA-N -1 0 325.408 3.578 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(F)c2O)sc1Br ZINC000707970855 1025902539 /nfs/dbraw/zinc/90/25/39/1025902539.db2.gz JIEZUHVGHIHLDJ-UHFFFAOYSA-N -1 0 330.178 3.916 20 0 EHADRM CCC[C@H](CC1CCCC1)C(=O)N=c1nc([C@@H](C)OC)[n-]s1 ZINC000511100203 1025925125 /nfs/dbraw/zinc/92/51/25/1025925125.db2.gz IVYALSWNXKPORW-DGCLKSJQSA-N -1 0 325.478 3.603 20 0 EHADRM CC(C)c1ccsc1C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000347356758 1025932061 /nfs/dbraw/zinc/93/20/61/1025932061.db2.gz CPFRONCCWNBMJJ-HNNXBMFYSA-N -1 0 329.421 3.696 20 0 EHADRM Cc1c(NC(=O)c2ccc(Cl)cc2[O-])cnn1-c1ccccc1 ZINC000436601382 1025933035 /nfs/dbraw/zinc/93/30/35/1025933035.db2.gz HOYBUYOOBKEJBM-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM CC[C@@H](O)CN(Cc1ccccc1)C(=O)c1cc2ccccc2cc1O ZINC000436603711 1025934734 /nfs/dbraw/zinc/93/47/34/1025934734.db2.gz MTUJOXWBXCRYTF-LJQANCHMSA-N -1 0 349.430 3.959 20 0 EHADRM CC(C)(C)OC1CC(CCNC(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000436606060 1025937022 /nfs/dbraw/zinc/93/70/22/1025937022.db2.gz LQJBZUFPOURXEV-UHFFFAOYSA-N -1 0 343.826 3.898 20 0 EHADRM CC[C@@H](C)n1ncc(NC(=O)c2cc(F)c([O-])c(Cl)c2)c1C ZINC000436608879 1025942074 /nfs/dbraw/zinc/94/20/74/1025942074.db2.gz RERNITYNOFPAKI-MRVPVSSYSA-N -1 0 325.771 3.913 20 0 EHADRM Cc1nccc(NC(=O)c2ccc(Br)c([O-])c2)c1Cl ZINC000124984304 1025948770 /nfs/dbraw/zinc/94/87/70/1025948770.db2.gz WIEQZTKVTNBZPH-UHFFFAOYSA-N -1 0 341.592 3.764 20 0 EHADRM O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)c1ccc(F)cc1[O-] ZINC000436626808 1025953454 /nfs/dbraw/zinc/95/34/54/1025953454.db2.gz LGQXYGCCLYJSDJ-INIZCTEOSA-N -1 0 343.402 3.650 20 0 EHADRM O=C(c1ccc(O)cc1O)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000436635153 1025964738 /nfs/dbraw/zinc/96/47/38/1025964738.db2.gz MSEIXZACCZCCAV-INIZCTEOSA-N -1 0 333.334 3.743 20 0 EHADRM CCO[C@@H]1C[C@H](NC(=O)c2cc(F)c([O-])c(F)c2)C12CCCCC2 ZINC000436638516 1025968583 /nfs/dbraw/zinc/96/85/83/1025968583.db2.gz IOHJQZYNJXAYNS-LSDHHAIUSA-N -1 0 339.382 3.528 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H]2CCC(=O)[C@H](C)C2(C)C)c1 ZINC000436649871 1025974496 /nfs/dbraw/zinc/97/44/96/1025974496.db2.gz XMFSELBLNGFKDQ-WCQYABFASA-N -1 0 331.412 3.565 20 0 EHADRM Cc1ccc(C)c([N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)c1 ZINC000443404572 1026001262 /nfs/dbraw/zinc/00/12/62/1026001262.db2.gz TXNGRIBQJDHDIW-UHFFFAOYSA-N -1 0 331.437 3.818 20 0 EHADRM Cc1ccccc1-c1n[n-]c(=NCc2cccc(Br)c2)o1 ZINC000516124495 1026014980 /nfs/dbraw/zinc/01/49/80/1026014980.db2.gz MRLVADSOQANHJB-UHFFFAOYSA-N -1 0 344.212 3.842 20 0 EHADRM Cc1cc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)nn1C(F)F ZINC000436657187 1026017227 /nfs/dbraw/zinc/01/72/27/1026017227.db2.gz IKSPGMXLHFJJSJ-UHFFFAOYSA-N -1 0 336.125 3.851 20 0 EHADRM CCc1cccnc1[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000443421144 1026019339 /nfs/dbraw/zinc/01/93/39/1026019339.db2.gz XKZWNYSGLGSRTF-UHFFFAOYSA-N -1 0 328.796 3.546 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCC(c2c(F)cccc2F)CC1 ZINC000436676640 1026024659 /nfs/dbraw/zinc/02/46/59/1026024659.db2.gz RJNLXMITJLHCBT-UHFFFAOYSA-N -1 0 335.325 3.829 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cc(-c3ccccc3)ns2)c1 ZINC000436679982 1026030912 /nfs/dbraw/zinc/03/09/12/1026030912.db2.gz MNQMBRYAJOQHSY-UHFFFAOYSA-N -1 0 338.388 3.971 20 0 EHADRM CC(C)COc1cccc(CN=c2[n-]nc(CC(F)(F)F)s2)c1 ZINC000475066629 1026046869 /nfs/dbraw/zinc/04/68/69/1026046869.db2.gz VTUCOUBIKCUFQN-UHFFFAOYSA-N -1 0 345.390 3.712 20 0 EHADRM CC(C)n1cc(/C=C\c2nc(-c3ccccc3)ncc2C(=O)[O-])cn1 ZINC000443445163 1026051811 /nfs/dbraw/zinc/05/18/11/1026051811.db2.gz LVUNDXVVTNRJFO-HJWRWDBZSA-N -1 0 334.379 3.790 20 0 EHADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000665328063 1026053263 /nfs/dbraw/zinc/05/32/63/1026053263.db2.gz CKGPHHHEHQGKTE-ABAIWWIYSA-N -1 0 338.835 3.543 20 0 EHADRM O=C([O-])c1cnc(-c2ccccc2)nc1/C=C/c1ccc(O)c(F)c1 ZINC000443446717 1026054497 /nfs/dbraw/zinc/05/44/97/1026054497.db2.gz UJEMKKOQWFKSPX-SOFGYWHQSA-N -1 0 336.322 3.857 20 0 EHADRM Cc1ccc(C(=O)N2CCC(Cc3cccc(F)c3)CC2)c(O)c1 ZINC000436707830 1026071241 /nfs/dbraw/zinc/07/12/41/1026071241.db2.gz HOKJKGMUEDQBNZ-UHFFFAOYSA-N -1 0 327.399 3.935 20 0 EHADRM C[C@@H](N=c1nc(C(C)(C)C)[n-]s1)c1ccc(-n2cccn2)c(F)c1 ZINC000436713025 1026078093 /nfs/dbraw/zinc/07/80/93/1026078093.db2.gz CWEVYGJLXCHKBQ-LLVKDONJSA-N -1 0 345.447 3.755 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)c2ccc(C(C)(F)F)cc2)s1 ZINC000431396702 1026095615 /nfs/dbraw/zinc/09/56/15/1026095615.db2.gz PRNOLKSBFDFAIX-UHFFFAOYSA-N -1 0 325.384 3.523 20 0 EHADRM O=C(c1ccc(Br)cc1O)N1CC(C2CCCCC2)C1 ZINC000436729572 1026119996 /nfs/dbraw/zinc/11/99/96/1026119996.db2.gz RWUHWJLQQVSZLC-UHFFFAOYSA-N -1 0 338.245 3.807 20 0 EHADRM O=C(N[C@H]1CCCc2c(O)cccc21)c1cc(F)c([O-])c(Cl)c1 ZINC000192644229 1026177392 /nfs/dbraw/zinc/17/73/92/1026177392.db2.gz REOWXXDKSMRYEH-AWEZNQCLSA-N -1 0 335.762 3.698 20 0 EHADRM O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)c1ccc([O-])c(Cl)c1 ZINC000116466155 1026238022 /nfs/dbraw/zinc/23/80/22/1026238022.db2.gz MQVHSFJKDOVLMD-AWEZNQCLSA-N -1 0 348.805 3.584 20 0 EHADRM O=C(N=c1cc2ccccn2[nH]1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000582438844 1026252923 /nfs/dbraw/zinc/25/29/23/1026252923.db2.gz NCJPCOYEQWGJEE-QGZVFWFLSA-N -1 0 334.423 3.558 20 0 EHADRM CC(C)CCSCC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000262460475 1026366180 /nfs/dbraw/zinc/36/61/80/1026366180.db2.gz XZCXFZSNTYNMTM-UHFFFAOYSA-N -1 0 341.498 3.722 20 0 EHADRM C[C@H](Oc1[n-]c(=O)ncc1Cl)c1ccc(F)c(Br)c1 ZINC001228482109 1026375849 /nfs/dbraw/zinc/37/58/49/1026375849.db2.gz JNQIUUOYBSCIRP-LURJTMIESA-N -1 0 347.571 3.877 20 0 EHADRM Cc1cc(C(=O)Nc2cc(Cl)cc(Br)c2[O-])ns1 ZINC000444332352 1026385548 /nfs/dbraw/zinc/38/55/48/1026385548.db2.gz YYMPXPPBUPNHIQ-UHFFFAOYSA-N -1 0 347.621 3.825 20 0 EHADRM CCC(CC)(CC(=O)NCCc1c(C)oc2ccccc21)C(=O)[O-] ZINC000342590393 1026391403 /nfs/dbraw/zinc/39/14/03/1026391403.db2.gz CMAUSMYQIFFOKF-UHFFFAOYSA-N -1 0 331.412 3.681 20 0 EHADRM O=C([O-])C1(CC(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)CCC1 ZINC000262464675 1026392133 /nfs/dbraw/zinc/39/21/33/1026392133.db2.gz GEGLGXFLHYCTPV-KRWDZBQOSA-N -1 0 340.423 3.867 20 0 EHADRM CCC(C)(C)N(C)C(=O)N(CCCC(=O)[O-])c1ccc(OC)cc1 ZINC000684896135 1026451926 /nfs/dbraw/zinc/45/19/26/1026451926.db2.gz ODCGMLCKTHWRMH-UHFFFAOYSA-N -1 0 336.432 3.607 20 0 EHADRM Cc1cc(NC(=O)c2cccc(OC(F)F)c2)cc(C(=O)[O-])c1C ZINC000324903774 1026456710 /nfs/dbraw/zinc/45/67/10/1026456710.db2.gz OMLXUKBAQCCYCD-UHFFFAOYSA-N -1 0 335.306 3.855 20 0 EHADRM COC(=O)c1cc(Cl)cc(Nc2cc(C)cc(C(=O)[O-])c2)c1O ZINC001211547524 1026475781 /nfs/dbraw/zinc/47/57/81/1026475781.db2.gz RSCCDVVLRZLDDO-UHFFFAOYSA-N -1 0 335.743 3.582 20 0 EHADRM O=C(Nc1cc(C(F)(F)F)ccc1O)C(=O)c1ccc(Cl)cc1 ZINC000531114226 1026589262 /nfs/dbraw/zinc/58/92/62/1026589262.db2.gz APYJMLSIAACFRS-UHFFFAOYSA-N -1 0 343.688 3.886 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)n1 ZINC000342660069 1026631573 /nfs/dbraw/zinc/63/15/73/1026631573.db2.gz QPAFRPKUQYGSQX-UHFFFAOYSA-N -1 0 330.381 3.542 20 0 EHADRM Cc1nnc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)s1 ZINC000531211991 1026689851 /nfs/dbraw/zinc/68/98/51/1026689851.db2.gz GBFYYPYEXJSWDF-UHFFFAOYSA-N -1 0 345.405 3.547 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCC[C@@H](C)[C@H]3C)n2)c1 ZINC000531231255 1026727847 /nfs/dbraw/zinc/72/78/47/1026727847.db2.gz LJKQYCIRIWGNNS-HUUCEWRRSA-N -1 0 341.455 3.962 20 0 EHADRM C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000452646789 1026893545 /nfs/dbraw/zinc/89/35/45/1026893545.db2.gz PKRPMQYBJIQQNZ-IONNQARKSA-N -1 0 339.716 3.988 20 0 EHADRM O=S(=O)(Cc1csc(C2CCCC2)n1)c1nc2ccccc2[n-]1 ZINC000063926560 1026934474 /nfs/dbraw/zinc/93/44/74/1026934474.db2.gz BJXJHBMUGVHURV-UHFFFAOYSA-N -1 0 347.465 3.651 20 0 EHADRM CNC(=O)c1ccc(-c2ccc(C3(C(=O)[O-])CCCC3)cc2)cc1C ZINC000563437147 1026953250 /nfs/dbraw/zinc/95/32/50/1026953250.db2.gz FKLMMYOYAUREOX-UHFFFAOYSA-N -1 0 337.419 3.918 20 0 EHADRM Cc1ccc(C)c(C(=O)NCC2(C)Cc3ccccc3C2)c1C(=O)[O-] ZINC000634828138 1026985142 /nfs/dbraw/zinc/98/51/42/1026985142.db2.gz OIOHILGWIIVDBV-UHFFFAOYSA-N -1 0 337.419 3.537 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cc(C)n([C@H](C)CC)n2)s1 ZINC000342786387 1027041207 /nfs/dbraw/zinc/04/12/07/1027041207.db2.gz VOLMSIIDTPCYEO-SNVBAGLBSA-N -1 0 327.475 3.587 20 0 EHADRM CO[C@H]1CCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C[C@H]1C ZINC000452865567 1027058345 /nfs/dbraw/zinc/05/83/45/1027058345.db2.gz GNDCDERVKAVKKG-BZNIZROVSA-N -1 0 333.815 3.696 20 0 EHADRM Cc1ccc2c(O)c(C(=O)N(C)Cc3cccc(Cl)c3)cnc2n1 ZINC000075473144 1027138558 /nfs/dbraw/zinc/13/85/58/1027138558.db2.gz CUHQHVUYLQXPHR-UHFFFAOYSA-N -1 0 341.798 3.569 20 0 EHADRM Cc1ccc2c(c1)[C@H](NC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1)CO2 ZINC000531654635 1027159531 /nfs/dbraw/zinc/15/95/31/1027159531.db2.gz DMTAPOVZWCYVCE-OXQOHEQNSA-N -1 0 345.439 3.606 20 0 EHADRM CCc1cc(C(=O)N[C@H](CC(=O)[O-])c2cccc(OC)c2)sc1C ZINC000531745773 1027300582 /nfs/dbraw/zinc/30/05/82/1027300582.db2.gz QSKWSIIYORCZRU-OAHLLOKOSA-N -1 0 347.436 3.573 20 0 EHADRM Cc1cc2ccccc2n1CC(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000327060560 1027411013 /nfs/dbraw/zinc/41/10/13/1027411013.db2.gz AFVHYTIQUPVRNJ-FLIBITNWSA-N -1 0 334.375 3.686 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCCc2csc3ccccc23)s1 ZINC000501686953 1027453969 /nfs/dbraw/zinc/45/39/69/1027453969.db2.gz GQRUDOMOJNIZEG-UHFFFAOYSA-N -1 0 331.418 3.634 20 0 EHADRM COc1cccc(Cl)c1CC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000685019716 1027569309 /nfs/dbraw/zinc/56/93/09/1027569309.db2.gz YKGLMXYPFRUAFK-UHFFFAOYSA-N -1 0 333.771 3.536 20 0 EHADRM C[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)NCc1ccc(Cl)cc1 ZINC000582762375 1027609759 /nfs/dbraw/zinc/60/97/59/1027609759.db2.gz LQKJQFUZZYRSFS-CYBMUJFWSA-N -1 0 346.814 3.697 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000414459407 1027615517 /nfs/dbraw/zinc/61/55/17/1027615517.db2.gz XAZJQEDEMAKATP-LBPRGKRZSA-N -1 0 329.400 3.685 20 0 EHADRM c1ccc([C@@H]2C[C@@H](N=c3nc(C4CCCC4)[n-]s3)CCO2)cc1 ZINC000420608239 1027642271 /nfs/dbraw/zinc/64/22/71/1027642271.db2.gz CUWKUCGQQAIXLE-HOTGVXAUSA-N -1 0 329.469 3.950 20 0 EHADRM O=S(=O)([N-]c1ccc(Oc2ccccc2)cn1)c1cccc(F)c1 ZINC000261407656 1027669285 /nfs/dbraw/zinc/66/92/85/1027669285.db2.gz QGLCBFWDLBTFTD-UHFFFAOYSA-N -1 0 344.367 3.814 20 0 EHADRM Cc1cc(C(=O)N=c2[n-]nc(C)n2C2CC2)sc1-c1ccccc1 ZINC000582793982 1027735168 /nfs/dbraw/zinc/73/51/68/1027735168.db2.gz XDNWIUBRFXRVNO-UHFFFAOYSA-N -1 0 338.436 3.633 20 0 EHADRM CCCc1n[n-]c(=NC(=O)Nc2cnn([C@H](C)CC)c2C2CC2)s1 ZINC000342869212 1027756174 /nfs/dbraw/zinc/75/61/74/1027756174.db2.gz VKGYCJGZOYGEPE-SNVBAGLBSA-N -1 0 348.476 3.601 20 0 EHADRM CC[C@H](C(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1)c1ccccc1 ZINC000262535705 1027774027 /nfs/dbraw/zinc/77/40/27/1027774027.db2.gz JRPNOPXCMMFSDM-AAEUAGOBSA-N -1 0 332.425 3.521 20 0 EHADRM CN(CC(=O)[O-])c1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC001211942944 1027777323 /nfs/dbraw/zinc/77/73/23/1027777323.db2.gz XCLJGUBZMJNSSD-UHFFFAOYSA-N -1 0 343.770 3.578 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(OC2CCCCC2)cc1 ZINC000422576945 1027805467 /nfs/dbraw/zinc/80/54/67/1027805467.db2.gz ADIPEIIBXRSSBO-GOEBONIOSA-N -1 0 345.439 3.723 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(Cl)c(Cl)n1 ZINC000783604944 1027847604 /nfs/dbraw/zinc/84/76/04/1027847604.db2.gz RNFSJPMEOALHNE-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CCC[C@H](C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1ccccc1 ZINC000560711299 1027848702 /nfs/dbraw/zinc/84/87/02/1027848702.db2.gz PBOXCVIVOCVOEB-INIZCTEOSA-N -1 0 336.395 3.700 20 0 EHADRM O=S(=O)(Cc1c(F)cccc1Cl)[N-]c1cccc(C2CC2)n1 ZINC000582826655 1027893900 /nfs/dbraw/zinc/89/39/00/1027893900.db2.gz OXGVKYQWXCOXLU-UHFFFAOYSA-N -1 0 340.807 3.693 20 0 EHADRM Cc1cc(C)cc([C@@H](C)NC(=O)N=c2[n-]nc(CC(C)C)s2)c1 ZINC000503669408 1028053095 /nfs/dbraw/zinc/05/30/95/1028053095.db2.gz FFGAXCPCZISPEP-CYBMUJFWSA-N -1 0 332.473 3.658 20 0 EHADRM CC[C@@H]1CN(C(=O)N=c2cc(C)c(C)n[n-]2)CC[C@@H]1c1ccccc1 ZINC000467490414 1028142903 /nfs/dbraw/zinc/14/29/03/1028142903.db2.gz PHEQORLHOYQPLK-AEFFLSMTSA-N -1 0 338.455 3.563 20 0 EHADRM Cc1noc(C)c1[N-]S(=O)(=O)c1c(C)sc2c1cccc2C ZINC000421152595 1028155890 /nfs/dbraw/zinc/15/58/90/1028155890.db2.gz KNLIWCNVNOHBNW-UHFFFAOYSA-N -1 0 336.438 3.924 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)nn1C(C)C ZINC000421180919 1028158103 /nfs/dbraw/zinc/15/81/03/1028158103.db2.gz HLGMZJWBSXKWIJ-UHFFFAOYSA-N -1 0 329.372 3.511 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)nn1C(C)C ZINC000421174051 1028174150 /nfs/dbraw/zinc/17/41/50/1028174150.db2.gz MXTOOVLLSSJJKD-UHFFFAOYSA-N -1 0 327.837 3.535 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2ccccc2Nc2ccccc2)C1 ZINC000532693504 1028176030 /nfs/dbraw/zinc/17/60/30/1028176030.db2.gz TUMKRIKYOVKPLD-HNNXBMFYSA-N -1 0 338.407 3.757 20 0 EHADRM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccccc1C(F)(F)F ZINC000421224968 1028212249 /nfs/dbraw/zinc/21/22/49/1028212249.db2.gz JMYOFIRTVRXMKT-LLVKDONJSA-N -1 0 339.379 3.508 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2cc3ccc(O)cc3oc2=O)c1 ZINC001211962703 1028217235 /nfs/dbraw/zinc/21/72/35/1028217235.db2.gz MJWDRZJEFZVTKW-UHFFFAOYSA-N -1 0 331.711 3.594 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nn(-c3ccccc3)cc2C)sc1C ZINC000091017429 1028234554 /nfs/dbraw/zinc/23/45/54/1028234554.db2.gz WQBUWTDKOSKLSO-UHFFFAOYSA-N -1 0 347.465 3.660 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC[C@@H](C(C)C)C2)n1 ZINC000444893087 1028392498 /nfs/dbraw/zinc/39/24/98/1028392498.db2.gz FMRDVLQFMNOHAX-MRXNPFEDSA-N -1 0 341.455 3.649 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)c2cc(Cl)c3ccccc3c2[O-])C[C@H](C)O1 ZINC000536637454 1028424365 /nfs/dbraw/zinc/42/43/65/1028424365.db2.gz PSTZQGZDBSGLQE-ZSBIGDGJSA-N -1 0 333.815 3.885 20 0 EHADRM CC1(C)C(=O)NCc2c(Nc3cc(Cl)cc(C(=O)[O-])c3)cccc21 ZINC001211969715 1028439157 /nfs/dbraw/zinc/43/91/57/1028439157.db2.gz WRLUMQBKPLGALI-UHFFFAOYSA-N -1 0 344.798 3.689 20 0 EHADRM CC[C@@H](C)C(=O)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000523558984 1028439450 /nfs/dbraw/zinc/43/94/50/1028439450.db2.gz DKORVPFJGRFUIA-SNVBAGLBSA-N -1 0 344.411 3.948 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)s1 ZINC000523586955 1028455219 /nfs/dbraw/zinc/45/52/19/1028455219.db2.gz DJZPIZRLGJNOQN-HUUCEWRRSA-N -1 0 344.484 3.760 20 0 EHADRM O=c1[n-]c(F)c(Cl)c(Nc2ccc(O)c(F)c2F)c1Cl ZINC001211999876 1028476008 /nfs/dbraw/zinc/47/60/08/1028476008.db2.gz AONFIWGAOIMHNW-UHFFFAOYSA-N -1 0 325.073 3.961 20 0 EHADRM CN(C(=O)N[C@@H]1CCCc2sccc21)[C@@H](C(=O)[O-])c1ccccc1 ZINC000583002671 1028501466 /nfs/dbraw/zinc/50/14/66/1028501466.db2.gz VFJFIEWFWSMSFT-GDBMZVCRSA-N -1 0 344.436 3.593 20 0 EHADRM Cc1cc(OCC(=O)N2CCCC[C@@H]2CCC(=O)[O-])ccc1C(C)C ZINC000236669131 1028559882 /nfs/dbraw/zinc/55/98/82/1028559882.db2.gz LUXDLOSJZRQHHX-MRXNPFEDSA-N -1 0 347.455 3.743 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000236617346 1028560196 /nfs/dbraw/zinc/56/01/96/1028560196.db2.gz LDRFCHMOIUOTFZ-SUNKGSAMSA-N -1 0 344.238 3.712 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1csc(-c2ccccc2)n1 ZINC000237998545 1028563394 /nfs/dbraw/zinc/56/33/94/1028563394.db2.gz KXZRYUDNPOAYNM-CQSZACIVSA-N -1 0 344.436 3.670 20 0 EHADRM CC(C)n1ncc2ccc([N-]S(=O)(=O)c3ccccc3F)cc21 ZINC000195448935 1028613240 /nfs/dbraw/zinc/61/32/40/1028613240.db2.gz AFNCVQFBOUWALJ-UHFFFAOYSA-N -1 0 333.388 3.557 20 0 EHADRM CC[C@H](C)[C@@H](C)C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000431517335 1028624926 /nfs/dbraw/zinc/62/49/26/1028624926.db2.gz DYAYIEMMQQTKMA-QMTMVMCOSA-N -1 0 341.451 3.882 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2cccc(C(=O)[O-])c2)C2CC2)o1 ZINC000237366756 1028647975 /nfs/dbraw/zinc/64/79/75/1028647975.db2.gz ZVJNPUJFLHEUOY-PXAZEXFGSA-N -1 0 339.391 3.906 20 0 EHADRM C[C@H](NC(=O)CC(C)(C)CC(=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000237569491 1028656649 /nfs/dbraw/zinc/65/66/49/1028656649.db2.gz MURNXRXWTCMQST-JTQLQIEISA-N -1 0 326.462 3.509 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])c(C)o1 ZINC000237571116 1028656977 /nfs/dbraw/zinc/65/69/77/1028656977.db2.gz BJEXYPNORHMIEI-DGCLKSJQSA-N -1 0 347.436 3.953 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)o1 ZINC000238053099 1028675671 /nfs/dbraw/zinc/67/56/71/1028675671.db2.gz FDFKYXOZAZIGTM-LLVKDONJSA-N -1 0 347.676 3.665 20 0 EHADRM O=C([O-])c1ccn(-c2ccccc2NC(=O)CCCc2ccccc2)n1 ZINC000238229969 1028681789 /nfs/dbraw/zinc/68/17/89/1028681789.db2.gz KRAHDNPXIDTTSN-UHFFFAOYSA-N -1 0 349.390 3.532 20 0 EHADRM c1coc(CN=c2[n-]nc(SC[C@H]3CCc4ccccc43)s2)c1 ZINC000502862759 1028776000 /nfs/dbraw/zinc/77/60/00/1028776000.db2.gz QTQZUQQDKLRJDS-CYBMUJFWSA-N -1 0 343.477 3.987 20 0 EHADRM [O-]c1ccc(Cl)cc1-c1nc(-c2cnn(-c3ccccc3)c2)no1 ZINC000445437036 1028794979 /nfs/dbraw/zinc/79/49/79/1028794979.db2.gz XWEQZMSKYOQFPO-UHFFFAOYSA-N -1 0 338.754 3.948 20 0 EHADRM Cc1c(-c2nc(-c3ccc(O)c(F)c3)no2)cnn1CCC(C)C ZINC000445474281 1028853850 /nfs/dbraw/zinc/85/38/50/1028853850.db2.gz PYPCBPVWFIAVSE-UHFFFAOYSA-N -1 0 330.363 3.799 20 0 EHADRM Cc1ccc(C)c(C(=O)N[C@@H](C)C2CCC(F)(F)CC2)c1C(=O)[O-] ZINC000634844642 1028897640 /nfs/dbraw/zinc/89/76/40/1028897640.db2.gz PAEVWHICUYFVRC-LBPRGKRZSA-N -1 0 339.382 3.945 20 0 EHADRM Cc1cc2c[nH]nc2cc1NS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000524182793 1028945286 /nfs/dbraw/zinc/94/52/86/1028945286.db2.gz NPOLTVYTMNVJCQ-UHFFFAOYSA-N -1 0 341.436 3.551 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N[C@H](c2ccccc2)C2CC2)s1 ZINC000503053756 1029023445 /nfs/dbraw/zinc/02/34/45/1029023445.db2.gz PMFNNSDZBFUJNM-MRXNPFEDSA-N -1 0 344.484 3.966 20 0 EHADRM CCc1oc(C(=O)NC2(C(C)(C)c3ccccc3)CC2)cc1C(=O)[O-] ZINC000583154442 1029027133 /nfs/dbraw/zinc/02/71/33/1029027133.db2.gz BQYFQRVLEYOXEM-UHFFFAOYSA-N -1 0 341.407 3.780 20 0 EHADRM CCCc1n[n-]c(=NC(=O)NC2CCC(c3ccccc3)CC2)s1 ZINC000503074309 1029030855 /nfs/dbraw/zinc/03/08/55/1029030855.db2.gz QNXLVGDJJQGLBT-UHFFFAOYSA-N -1 0 344.484 3.760 20 0 EHADRM CCC(CC)(CNC(=O)N(C)[C@@H](C)c1c(F)cccc1F)C(=O)[O-] ZINC000424406626 1029052613 /nfs/dbraw/zinc/05/26/13/1029052613.db2.gz AKAMOWPLJXFPNT-NSHDSACASA-N -1 0 342.386 3.558 20 0 EHADRM Cc1cc(CN2CCC[C@@H](C)[C@H]2C(=O)[O-])sc1Br ZINC000424413852 1029058599 /nfs/dbraw/zinc/05/85/99/1029058599.db2.gz GFTKSFFFRZPGGM-KCJUWKMLSA-N -1 0 332.263 3.504 20 0 EHADRM Cc1cc(CN2CCC[C@H](C)[C@H]2C(=O)[O-])sc1Br ZINC000424413853 1029058844 /nfs/dbraw/zinc/05/88/44/1029058844.db2.gz GFTKSFFFRZPGGM-KWQFWETISA-N -1 0 332.263 3.504 20 0 EHADRM O=S(=O)([N-]c1n[nH]c2c1cccc2Cl)c1cc2ccccc2o1 ZINC000532934430 1029098747 /nfs/dbraw/zinc/09/87/47/1029098747.db2.gz RFYAHSRWZRQPCK-UHFFFAOYSA-N -1 0 347.783 3.763 20 0 EHADRM C[C@H](c1cccs1)N(C)C(=O)[C@](C)(CC(=O)[O-])c1ccc(F)cc1 ZINC000634863621 1029118018 /nfs/dbraw/zinc/11/80/18/1029118018.db2.gz NBHCMRAUKUDPBQ-KZULUSFZSA-N -1 0 349.427 3.839 20 0 EHADRM Cc1cc(/C=C/C(=O)N[C@H](C)CCC(=O)[O-])c(C)n1C1CCCCC1 ZINC000237411180 1029183711 /nfs/dbraw/zinc/18/37/11/1029183711.db2.gz ICGHBYZDDUAFDF-PLSXKVAHSA-N -1 0 346.471 3.993 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])[C@@H](C)[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000424615279 1029203967 /nfs/dbraw/zinc/20/39/67/1029203967.db2.gz DIBACMPKBWXQEV-CXAGYDPISA-N -1 0 348.468 3.557 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2cccc(OCC(F)(F)F)c2)CCC1 ZINC000634873826 1029234311 /nfs/dbraw/zinc/23/43/11/1029234311.db2.gz YQDREVWJAPSGPU-UHFFFAOYSA-N -1 0 345.317 3.601 20 0 EHADRM Oc1ccc(-c2noc(-c3csc([C@@H]4CCCO4)n3)n2)c(F)c1 ZINC000278154262 1029372918 /nfs/dbraw/zinc/37/29/18/1029372918.db2.gz MKTRTWKBDDNXGL-LBPRGKRZSA-N -1 0 333.344 3.556 20 0 EHADRM CCCOc1c(/C=C\c2cc(C(=O)[O-])ncn2)cccc1OCC ZINC000533124057 1029378207 /nfs/dbraw/zinc/37/82/07/1029378207.db2.gz FDXAGQQHICFRNS-HJWRWDBZSA-N -1 0 328.368 3.533 20 0 EHADRM O=c1[n-]c(SCc2cccc3c(Br)cccc23)n[nH]1 ZINC000446072961 1029390176 /nfs/dbraw/zinc/39/01/76/1029390176.db2.gz WOOIGWQDEBPLHJ-UHFFFAOYSA-N -1 0 336.214 3.718 20 0 EHADRM CCc1oc(C(=O)N2CC[C@H](C)[C@@H]2c2cccc(F)c2)cc1C(=O)[O-] ZINC000261654550 1029469535 /nfs/dbraw/zinc/46/95/35/1029469535.db2.gz NCSNNGWTXCPKCV-APPDUMDISA-N -1 0 345.370 3.903 20 0 EHADRM COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1 ZINC000513814972 1029517674 /nfs/dbraw/zinc/51/76/74/1029517674.db2.gz KTAUJXRKUKLFPG-UHFFFAOYSA-N -1 0 347.436 3.706 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@H]2CCCC[C@H]2Cc2ccccc2)CCC1 ZINC000262468728 1029596361 /nfs/dbraw/zinc/59/63/61/1029596361.db2.gz GPUZUSFGEHJRMO-IRXDYDNUSA-N -1 0 329.440 3.549 20 0 EHADRM CC(C)[C@@H]1N(C(=O)N=c2[n-]nc(/C=C\c3ccco3)s2)CC1(C)C ZINC000455066433 1029597574 /nfs/dbraw/zinc/59/75/74/1029597574.db2.gz WKNGPQZPTLVFCB-DANTVBBOSA-N -1 0 346.456 3.622 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)NCc1cc2ccccc2o1 ZINC000533315142 1029620154 /nfs/dbraw/zinc/62/01/54/1029620154.db2.gz PZCKNOZFUPEFRT-UHFFFAOYSA-N -1 0 344.374 3.633 20 0 EHADRM C[C@H]1c2ccccc2CCN1C(=O)[C@](C)(CC(=O)[O-])c1ccsc1 ZINC000634913386 1029621821 /nfs/dbraw/zinc/62/18/21/1029621821.db2.gz SVWLGJHQGYDKNL-ORAYPTAESA-N -1 0 343.448 3.626 20 0 EHADRM Cc1cc2cc(C(=O)N3CC[C@](C(=O)[O-])(C(C)C)C3)oc2cc1C ZINC000262802811 1029637650 /nfs/dbraw/zinc/63/76/50/1029637650.db2.gz ANYKLMDMPZSISI-LJQANCHMSA-N -1 0 329.396 3.623 20 0 EHADRM Cc1cccc(-c2cccc(CNC(=O)[C@@H]3CC[C@H](C(=O)[O-])C3)c2)c1 ZINC000262810554 1029639343 /nfs/dbraw/zinc/63/93/43/1029639343.db2.gz AAEUGABEXFKBRO-MOPGFXCFSA-N -1 0 337.419 3.779 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)NCCCCc2ccc(Cl)s2)C1 ZINC000262816702 1029640263 /nfs/dbraw/zinc/64/02/63/1029640263.db2.gz DSRFGCBBXWOHKK-RYUDHWBXSA-N -1 0 343.876 3.731 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000262856271 1029644448 /nfs/dbraw/zinc/64/44/48/1029644448.db2.gz IHPSSGRWHSJAHW-WMLDXEAASA-N -1 0 335.419 3.717 20 0 EHADRM CCCOc1cccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000525007738 1029647089 /nfs/dbraw/zinc/64/70/89/1029647089.db2.gz IVQOOHXRFDNXQW-UHFFFAOYSA-N -1 0 345.342 3.694 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)C[C@H](C)c1ccccc1C ZINC000262926800 1029651369 /nfs/dbraw/zinc/65/13/69/1029651369.db2.gz KYKIOEMEHMTDCT-ZDUSSCGKSA-N -1 0 327.380 3.834 20 0 EHADRM CCC(CC)n1ncc(C(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])c1C ZINC000262939847 1029651516 /nfs/dbraw/zinc/65/15/16/1029651516.db2.gz LHISEKRDPSKPKT-DOTOQJQBSA-N -1 0 349.475 3.706 20 0 EHADRM CCc1sc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc1C ZINC000263030656 1029658012 /nfs/dbraw/zinc/65/80/12/1029658012.db2.gz YVHOZGYXUWPFDM-LSDHHAIUSA-N -1 0 343.448 3.559 20 0 EHADRM CC1(C(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)CCCCCC1 ZINC000263037996 1029659057 /nfs/dbraw/zinc/65/90/57/1029659057.db2.gz ZJTYTRKTKSEPJG-IRXDYDNUSA-N -1 0 329.440 3.674 20 0 EHADRM COCc1cc(NC(=O)C[C@H](C)c2cccc(F)c2)cc(C(=O)[O-])c1 ZINC000263081860 1029664284 /nfs/dbraw/zinc/66/42/84/1029664284.db2.gz LHEHSEZJPPWMQE-LBPRGKRZSA-N -1 0 345.370 3.803 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000263081609 1029664817 /nfs/dbraw/zinc/66/48/17/1029664817.db2.gz UWQKPMXEPXRTIE-JVLSTEMRSA-N -1 0 347.411 3.674 20 0 EHADRM C[C@@H](CC1CCCC1)C(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1 ZINC000263151232 1029669911 /nfs/dbraw/zinc/66/99/11/1029669911.db2.gz IZWFJGLWYCRITR-WBAXXEDZSA-N -1 0 329.440 3.530 20 0 EHADRM CC[C@]1(C)C[C@H]1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000263186866 1029671748 /nfs/dbraw/zinc/67/17/48/1029671748.db2.gz SDJMWCCWJXGPOO-IFXJQAMLSA-N -1 0 327.380 3.678 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000263220398 1029675562 /nfs/dbraw/zinc/67/55/62/1029675562.db2.gz YQCRNAVUZOTXEM-GJZGRUSLSA-N -1 0 333.428 3.581 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Cc1ccc(Cl)s1)c1ccccc1 ZINC000263219794 1029675601 /nfs/dbraw/zinc/67/56/01/1029675601.db2.gz YLJCWDXXOQVNLF-MEBBXXQBSA-N -1 0 337.828 3.522 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2cc3c(s2)CCCC3)cc1F ZINC000263228576 1029677390 /nfs/dbraw/zinc/67/73/90/1029677390.db2.gz QHWUTWSYASMERY-UHFFFAOYSA-N -1 0 333.384 3.645 20 0 EHADRM Cc1nc([C@H](C)NC(=O)[C@@H](C)Cc2ccc(C)cc2)sc1C(=O)[O-] ZINC000263252268 1029679402 /nfs/dbraw/zinc/67/94/02/1029679402.db2.gz HMFIFMKRYYSKIV-AAEUAGOBSA-N -1 0 346.452 3.514 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)[C@@H](C)Cc2ccc(C)cc2)sc1C(=O)[O-] ZINC000263252272 1029679756 /nfs/dbraw/zinc/67/97/56/1029679756.db2.gz HMFIFMKRYYSKIV-WCQYABFASA-N -1 0 346.452 3.514 20 0 EHADRM CC[C@@H](CC(=O)N1CCCC[C@H]1CCC(=O)[O-])c1ccc(OC)cc1 ZINC000263318833 1029687822 /nfs/dbraw/zinc/68/78/22/1029687822.db2.gz ZXGKIXJKVZHOLH-RDJZCZTQSA-N -1 0 347.455 3.825 20 0 EHADRM CCN(C(=O)c1cc(C)cc(C(=O)[O-])c1)[C@H](C)Cc1ccsc1 ZINC000263320270 1029687981 /nfs/dbraw/zinc/68/79/81/1029687981.db2.gz NJPRGRVVXHRXMR-CYBMUJFWSA-N -1 0 331.437 3.848 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)cc1 ZINC000263327305 1029688929 /nfs/dbraw/zinc/68/89/29/1029688929.db2.gz OYEQVGZAVXTMNV-GDLCADMTSA-N -1 0 345.345 3.895 20 0 EHADRM C[C@@H](CC(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C)Cc1ccc(Cl)cc1 ZINC000263370595 1029691166 /nfs/dbraw/zinc/69/11/66/1029691166.db2.gz VGJQQOWLIURFAM-WWGRRREGSA-N -1 0 337.847 3.620 20 0 EHADRM CCN(C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)[C@@H](C)c1cc2ccccc2o1 ZINC000263363700 1029691412 /nfs/dbraw/zinc/69/14/12/1029691412.db2.gz ZEGAQNVLYULSQM-CFVMTHIKSA-N -1 0 329.396 3.843 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Cc1cccc(Cl)c1Cl ZINC000263380540 1029693400 /nfs/dbraw/zinc/69/34/00/1029693400.db2.gz BODQCSNVBFSJCZ-GFCCVEGCSA-N -1 0 344.238 3.782 20 0 EHADRM O=C([O-])c1cccc(N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000263433500 1029697541 /nfs/dbraw/zinc/69/75/41/1029697541.db2.gz UJQZIFCVCAWLQR-WFASDCNBSA-N -1 0 336.750 3.514 20 0 EHADRM Cc1ccc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])c(F)c1Cl ZINC000263432397 1029697627 /nfs/dbraw/zinc/69/76/27/1029697627.db2.gz NTEUNCGFMGYLMG-NSHDSACASA-N -1 0 327.783 3.647 20 0 EHADRM CCc1oc(C(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)cc1C(=O)[O-] ZINC000263512581 1029705051 /nfs/dbraw/zinc/70/50/51/1029705051.db2.gz CTXPCLBCEIKESN-JSGCOSHPSA-N -1 0 345.370 3.745 20 0 EHADRM COc1ccc(C[C@H](C)Nc2cccc(CCC(=O)[O-])c2)cc1OC ZINC000263488676 1029711865 /nfs/dbraw/zinc/71/18/65/1029711865.db2.gz HYMXQOXNDLMHJS-AWEZNQCLSA-N -1 0 343.423 3.764 20 0 EHADRM CC1(C)CCC[C@@H](CC(=O)N=c2nc(-c3cccnc3)[n-]s2)C1 ZINC000533731470 1029747289 /nfs/dbraw/zinc/74/72/89/1029747289.db2.gz LBTJSHMFCMZDQP-LBPRGKRZSA-N -1 0 330.457 3.567 20 0 EHADRM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)[N-]OCCC(F)(F)F ZINC000162977721 1029760196 /nfs/dbraw/zinc/76/01/96/1029760196.db2.gz VPDYBJSUTSOQDO-ZETCQYMHSA-N -1 0 346.132 3.761 20 0 EHADRM Cc1[nH]nc(C(=O)N2CCCCC[C@H]2Cc2ccccc2Cl)c1[O-] ZINC000647290248 1029764047 /nfs/dbraw/zinc/76/40/47/1029764047.db2.gz SBASHTPDTDIWMJ-AWEZNQCLSA-N -1 0 347.846 3.705 20 0 EHADRM CCOc1cccc2cc([C@H](C)N=c3nc([C@H](C)OC)[n-]s3)oc21 ZINC000509687788 1029766834 /nfs/dbraw/zinc/76/68/34/1029766834.db2.gz XWOIMORPGOQJHQ-QWRGUYRKSA-N -1 0 347.440 3.985 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC000583419138 1029800526 /nfs/dbraw/zinc/80/05/26/1029800526.db2.gz DBZORSQZHDOIAM-SWLSCSKDSA-N -1 0 336.432 3.795 20 0 EHADRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc2ccccc2n1 ZINC000446828210 1029810628 /nfs/dbraw/zinc/81/06/28/1029810628.db2.gz SIDGRVZLFWJCIR-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM FC(F)(F)Oc1cccc(CN=c2[n-]nc(-c3ccccc3)o2)c1 ZINC000508575365 1029820279 /nfs/dbraw/zinc/82/02/79/1029820279.db2.gz DIKBZQGDXRDVBS-UHFFFAOYSA-N -1 0 335.285 3.669 20 0 EHADRM Cc1ccc(-c2n[n-]c(=NCc3cc4c(cccc4F)[nH]3)o2)s1 ZINC000446965011 1029868549 /nfs/dbraw/zinc/86/85/49/1029868549.db2.gz HDBSJCSWHUBCII-UHFFFAOYSA-N -1 0 328.372 3.761 20 0 EHADRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccnn1CCC(C)C ZINC000583479544 1029884737 /nfs/dbraw/zinc/88/47/37/1029884737.db2.gz BIKJQCUSMJMNFY-UHFFFAOYSA-N -1 0 341.864 3.692 20 0 EHADRM CO[C@@H](C)c1nc(=NCc2ccccc2OCCC(C)C)s[n-]1 ZINC000509693253 1029965655 /nfs/dbraw/zinc/96/56/55/1029965655.db2.gz NTTXGWLJDSLPRV-ZDUSSCGKSA-N -1 0 335.473 3.704 20 0 EHADRM COc1ccccc1C1(CN=c2nc([C@@H](C)OC)[n-]s2)CCCC1 ZINC000509697380 1029973810 /nfs/dbraw/zinc/97/38/10/1029973810.db2.gz LDLOATLCFMQOMJ-CYBMUJFWSA-N -1 0 347.484 3.600 20 0 EHADRM CO[C@H](C)c1nc(=NCC(C)(C)c2ccccc2Cl)s[n-]1 ZINC000509697753 1029974178 /nfs/dbraw/zinc/97/41/78/1029974178.db2.gz KEQGEEDQGGAMQX-SNVBAGLBSA-N -1 0 325.865 3.711 20 0 EHADRM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(-c2ccccc2C(F)F)cc1 ZINC000583511067 1029996629 /nfs/dbraw/zinc/99/66/29/1029996629.db2.gz OMQJUHLTTICJIT-INIZCTEOSA-N -1 0 345.345 3.980 20 0 EHADRM Cc1ccccc1O[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2C(=O)[O-])C1 ZINC001142656449 1030009452 /nfs/dbraw/zinc/00/94/52/1030009452.db2.gz GYCJKNJCAWRFIC-MRXNPFEDSA-N -1 0 345.826 4.000 20 0 EHADRM CC[C@@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)c1c(C)noc1C ZINC000161752297 1030027645 /nfs/dbraw/zinc/02/76/45/1030027645.db2.gz BPDBRNDBTINNKO-LLVKDONJSA-N -1 0 331.397 3.602 20 0 EHADRM COc1cc(C)cc([N-]S(=O)(=O)c2ccccc2SC)c1C ZINC000447257970 1030048876 /nfs/dbraw/zinc/04/88/76/1030048876.db2.gz PQDPWWYSBDMGKA-UHFFFAOYSA-N -1 0 337.466 3.835 20 0 EHADRM Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1ccc(C)cc1Cl ZINC000126850030 1030134251 /nfs/dbraw/zinc/13/42/51/1030134251.db2.gz LFXUFWXFJLBNBS-UHFFFAOYSA-N -1 0 326.805 3.623 20 0 EHADRM C[C@H](Oc1ccc(F)cc1)C(=O)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000042318888 1030152294 /nfs/dbraw/zinc/15/22/94/1030152294.db2.gz GYZCVKABTAQGHY-YLSINNKHSA-N -1 0 349.383 3.550 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000245607301 1030162525 /nfs/dbraw/zinc/16/25/25/1030162525.db2.gz ILWIZISPLROUQI-OWCLPIDISA-N -1 0 343.448 3.882 20 0 EHADRM CC(C)[C@H]1CCCCN1C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000447517487 1030240118 /nfs/dbraw/zinc/24/01/18/1030240118.db2.gz KZBINUYGPOQFOE-OAHLLOKOSA-N -1 0 347.846 3.882 20 0 EHADRM C[C@@H](Cc1ccsc1)NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000531996052 1030247291 /nfs/dbraw/zinc/24/72/91/1030247291.db2.gz CDABWEHBNIIFSW-RYUDHWBXSA-N -1 0 349.477 3.674 20 0 EHADRM O=C(N[C@H]1CC[C@H](O)CC1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000245954844 1030300111 /nfs/dbraw/zinc/30/01/11/1030300111.db2.gz TWHCIHQLUAEUCT-SHTZXODSSA-N -1 0 345.826 3.746 20 0 EHADRM CC(C)C[C@@H](NC(=O)N=c1[n-]nc(C2CC2)s1)c1ccccc1 ZINC000548803618 1030325360 /nfs/dbraw/zinc/32/53/60/1030325360.db2.gz BUKKQZMDXDCFFZ-CQSZACIVSA-N -1 0 330.457 3.746 20 0 EHADRM CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(C)cc2C)cc1C ZINC000526035886 1030349029 /nfs/dbraw/zinc/34/90/29/1030349029.db2.gz LYNVMNUFYNYGOV-UHFFFAOYSA-N -1 0 349.452 3.820 20 0 EHADRM CCN(Cc1ccccc1NC(=O)c1ccc(Cl)cc1[O-])C(C)=O ZINC000121972309 1030449608 /nfs/dbraw/zinc/44/96/08/1030449608.db2.gz YLUVULRBIANKLX-UHFFFAOYSA-N -1 0 346.814 3.666 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)CCc3ccnc4ccccc34)[nH][n-]2)o1 ZINC000447799502 1030484311 /nfs/dbraw/zinc/48/43/11/1030484311.db2.gz JEISDHUXPVMYKB-UHFFFAOYSA-N -1 0 346.390 3.520 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)c3ccc4nc(C)sc4c3)[nH][n-]2)o1 ZINC000447800461 1030485772 /nfs/dbraw/zinc/48/57/72/1030485772.db2.gz SSRICSNMXIJPMQ-UHFFFAOYSA-N -1 0 338.392 3.570 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)c3cc(Cl)ccc3Cl)[nH][n-]2)o1 ZINC000447803787 1030488340 /nfs/dbraw/zinc/48/83/40/1030488340.db2.gz UOAHVAKDSYINDY-UHFFFAOYSA-N -1 0 336.178 3.959 20 0 EHADRM COC(=O)c1sc2cccnc2c1Nc1ccc(C)c(C(=O)[O-])c1 ZINC001211594552 1030499845 /nfs/dbraw/zinc/49/98/45/1030499845.db2.gz ZHCYDKHARBMVMB-UHFFFAOYSA-N -1 0 342.376 3.833 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)C3CCC(C(F)(F)F)CC3)[nH][n-]2)o1 ZINC000447805051 1030506073 /nfs/dbraw/zinc/50/60/73/1030506073.db2.gz GZWDXKYLHYAVNB-UHFFFAOYSA-N -1 0 341.333 3.707 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])NC(=O)C[C@H](C)c2ccccc2)c1 ZINC000532258525 1030524988 /nfs/dbraw/zinc/52/49/88/1030524988.db2.gz AFPKYKWBNIAJBA-KBXCAEBGSA-N -1 0 341.407 3.521 20 0 EHADRM COC(=O)c1c[nH]c(SCc2ccccc2Oc2cccnc2)n1 ZINC000193550051 1030580797 /nfs/dbraw/zinc/58/07/97/1030580797.db2.gz XWDSISPVDXUOEI-UHFFFAOYSA-N -1 0 341.392 3.676 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)N[C@H](CC)c1ccc(Cl)cc1 ZINC000583737390 1030582954 /nfs/dbraw/zinc/58/29/54/1030582954.db2.gz UHELCRQIHGQPOF-BXUZGUMPSA-N -1 0 326.824 3.686 20 0 EHADRM CCSc1n[n-]c(=NCc2cnc(-c3ccsc3)s2)s1 ZINC000447947057 1030597813 /nfs/dbraw/zinc/59/78/13/1030597813.db2.gz AFILCOFAYIGRAK-UHFFFAOYSA-N -1 0 340.524 3.869 20 0 EHADRM CCSc1n[n-]c(=NCc2ccc(F)cc2C(F)(F)F)s1 ZINC000447955072 1030624949 /nfs/dbraw/zinc/62/49/49/1030624949.db2.gz YRIHRJYEFDMXIU-UHFFFAOYSA-N -1 0 337.367 3.842 20 0 EHADRM CCSc1n[n-]c(=NCc2ccc(F)c(Br)c2)s1 ZINC000447966404 1030635201 /nfs/dbraw/zinc/63/52/01/1030635201.db2.gz RYTSGFLDSHFLFZ-UHFFFAOYSA-N -1 0 348.266 3.586 20 0 EHADRM C[C@H]1CCC[C@H](C)N1C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000194033901 1030641074 /nfs/dbraw/zinc/64/10/74/1030641074.db2.gz MHPVAXKIXAMUEW-RYUDHWBXSA-N -1 0 333.819 3.634 20 0 EHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1cc(Cl)ccc1C ZINC000194216792 1030700364 /nfs/dbraw/zinc/70/03/64/1030700364.db2.gz IIOGXEZEQRLWSL-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N1CC[C@H](C)C(C)(C)C1)C(=O)[O-] ZINC000262758099 1030703376 /nfs/dbraw/zinc/70/33/76/1030703376.db2.gz KLOMZMSBCVOMSS-QWHCGFSZSA-N -1 0 335.469 3.760 20 0 EHADRM COc1ccc(Nc2ccc(C)c(C(=O)[O-])c2)c(Br)n1 ZINC001211597310 1030705697 /nfs/dbraw/zinc/70/56/97/1030705697.db2.gz XYPBGWHTXYIHJZ-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM COc1cc(C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)cc(Cl)c1O ZINC000527203274 1030706589 /nfs/dbraw/zinc/70/65/89/1030706589.db2.gz ZKCRGEFTGOYMAW-LBPRGKRZSA-N -1 0 339.741 3.761 20 0 EHADRM Cc1ccc2nc([N-]S(=O)(=O)Cc3ccc(F)cc3)sc2c1 ZINC000192612094 1030776065 /nfs/dbraw/zinc/77/60/65/1030776065.db2.gz WPFTUAZFYGXJBM-UHFFFAOYSA-N -1 0 336.413 3.686 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000448154324 1030776853 /nfs/dbraw/zinc/77/68/53/1030776853.db2.gz JNODSTDATXMANP-HNNXBMFYSA-N -1 0 340.427 3.513 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)C[C@H](C)c2ccccc2C)sc1C(=O)[O-] ZINC000237529003 1030889535 /nfs/dbraw/zinc/88/95/35/1030889535.db2.gz SYSUMZYXDLZMTL-WCQYABFASA-N -1 0 346.452 3.829 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)N[C@]3(C)CCCC[C@@H]3C(=O)[O-])c2c1 ZINC000262844188 1030933156 /nfs/dbraw/zinc/93/31/56/1030933156.db2.gz SOEWNVQSOZXVAD-OXQOHEQNSA-N -1 0 342.439 3.559 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)[C@H](C)CCCc2ccccc2)C1 ZINC000262868178 1030937068 /nfs/dbraw/zinc/93/70/68/1030937068.db2.gz FXDREPAEXHYXFI-UZLBHIALSA-N -1 0 331.456 3.605 20 0 EHADRM COc1ccc2oc([C@H](C)NC(=O)C3(C(=O)[O-])CCCC3)c(C)c2c1 ZINC000583874026 1031017501 /nfs/dbraw/zinc/01/75/01/1031017501.db2.gz GNLGIWZXTZJQKD-LBPRGKRZSA-N -1 0 345.395 3.572 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)N=c1cc(C(F)(F)F)[n-][nH]1 ZINC000448517542 1031167114 /nfs/dbraw/zinc/16/71/14/1031167114.db2.gz RZPBNUGYTXMQNB-SSDOTTSWSA-N -1 0 349.765 3.623 20 0 EHADRM CCc1ncc(C(=O)Nc2nnc(/C=C/c3ccco3)s2)s1 ZINC000152436836 1031198605 /nfs/dbraw/zinc/19/86/05/1031198605.db2.gz PPHDYEFTZILASX-AATRIKPKSA-N -1 0 332.410 3.573 20 0 EHADRM CC[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000161956071 1031221713 /nfs/dbraw/zinc/22/17/13/1031221713.db2.gz QPSWPSPGTPWCTB-HNNXBMFYSA-N -1 0 344.224 3.665 20 0 EHADRM Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2ccc(C)cc2F)s1 ZINC000551403587 1031302436 /nfs/dbraw/zinc/30/24/36/1031302436.db2.gz UUOGDGSHNXKNDC-UHFFFAOYSA-N -1 0 342.461 3.898 20 0 EHADRM O=S(=O)(Cc1c(F)cccc1F)[N-]c1nccc2sccc21 ZINC000194692523 1031360621 /nfs/dbraw/zinc/36/06/21/1031360621.db2.gz VBNMOYGCKKLWCB-UHFFFAOYSA-N -1 0 340.376 3.516 20 0 EHADRM CCOC(=O)c1ccc(Nc2ccc(C)c(C(=O)[O-])c2)c(OC)c1 ZINC001211605974 1031362253 /nfs/dbraw/zinc/36/22/53/1031362253.db2.gz DRFCMLJIGXCSCX-UHFFFAOYSA-N -1 0 329.352 3.622 20 0 EHADRM Cc1ccccc1-c1nc(=N[C@@H](CCCO)c2ccccc2)s[n-]1 ZINC000527902425 1031427326 /nfs/dbraw/zinc/42/73/26/1031427326.db2.gz NTYPVCBXXGSNDI-KRWDZBQOSA-N -1 0 339.464 3.861 20 0 EHADRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(F)cc2C)c1-c1ccccc1 ZINC000536193625 1031442268 /nfs/dbraw/zinc/44/22/68/1031442268.db2.gz UYHPBPADUADBGS-UHFFFAOYSA-N -1 0 345.399 3.633 20 0 EHADRM O=C(CCCCCc1cccs1)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000484151184 1031471742 /nfs/dbraw/zinc/47/17/42/1031471742.db2.gz ZYQOOPAYAKHENE-UHFFFAOYSA-N -1 0 343.374 3.720 20 0 EHADRM CN(CC(C)(C)C)C(=O)N[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000551593353 1031476991 /nfs/dbraw/zinc/47/69/91/1031476991.db2.gz VEAPVWAVPGGLPM-KRWDZBQOSA-N -1 0 342.439 3.523 20 0 EHADRM Cc1ccc([C@@H]2CCN(C(=O)CC3CCC(C(=O)[O-])CC3)C2)c(C)c1 ZINC000668321921 1031483063 /nfs/dbraw/zinc/48/30/63/1031483063.db2.gz CTLQIZVOGOLJHY-DAWZGUTISA-N -1 0 343.467 3.900 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c2ccccc21 ZINC000668322555 1031486180 /nfs/dbraw/zinc/48/61/80/1031486180.db2.gz ZIBPOGONZQDPSU-FPXQBCRKSA-N -1 0 343.467 3.921 20 0 EHADRM COc1cccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c1O ZINC000484234525 1031498035 /nfs/dbraw/zinc/49/80/35/1031498035.db2.gz PPYJNIHANZAXHF-UHFFFAOYSA-N -1 0 349.452 3.744 20 0 EHADRM O=C([O-])[C@]1(CC(=O)Nc2cccc(Cl)c2Cl)CCSC1 ZINC000064610337 1031570456 /nfs/dbraw/zinc/57/04/56/1031570456.db2.gz ZXBANIRBBNAHMJ-ZDUSSCGKSA-N -1 0 334.224 3.530 20 0 EHADRM O=C([O-])[C@]1(CC(=O)Nc2cc(Cl)cc(Cl)c2)CCSC1 ZINC000064610304 1031572216 /nfs/dbraw/zinc/57/22/16/1031572216.db2.gz XVIRENQPYGQXNT-ZDUSSCGKSA-N -1 0 334.224 3.530 20 0 EHADRM Cc1ccccc1-c1nc(=N[C@@H]2CCCC23CCOCC3)s[n-]1 ZINC000528006449 1031577095 /nfs/dbraw/zinc/57/70/95/1031577095.db2.gz WRPLCNIUZKLGJT-OAHLLOKOSA-N -1 0 329.469 3.697 20 0 EHADRM C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000194870751 1031580124 /nfs/dbraw/zinc/58/01/24/1031580124.db2.gz QMKNBYKDGCYRTD-SNVBAGLBSA-N -1 0 337.778 3.594 20 0 EHADRM COc1cc(NC(=O)c2cc(F)c(F)c([O-])c2F)ccc1Cl ZINC000194882655 1031588195 /nfs/dbraw/zinc/58/81/95/1031588195.db2.gz JAIFFHGYUJGSQM-UHFFFAOYSA-N -1 0 331.677 3.724 20 0 EHADRM CCc1nc(CNCc2ccc(C(F)(F)F)s2)ccc1C(=O)[O-] ZINC000903996537 1031595591 /nfs/dbraw/zinc/59/55/91/1031595591.db2.gz GUGYVASXZXRFFE-UHFFFAOYSA-N -1 0 344.358 3.712 20 0 EHADRM CC[C@H](Cc1ccc(NCc2cc3c(cc[nH]c3=O)o2)cc1)C(=O)[O-] ZINC000904015041 1031601409 /nfs/dbraw/zinc/60/14/09/1031601409.db2.gz CNSAYXUQPHVYSQ-CYBMUJFWSA-N -1 0 340.379 3.799 20 0 EHADRM CC(C)(C)c1coc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)n1 ZINC000904005475 1031621130 /nfs/dbraw/zinc/62/11/30/1031621130.db2.gz SBDGQEHTVWFCQX-AWEZNQCLSA-N -1 0 340.782 3.680 20 0 EHADRM Cc1nc(-c2ccc(NC[C@H]3CCCCS3)nc2)[nH]c(=O)c1C ZINC000343613953 1031632401 /nfs/dbraw/zinc/63/24/01/1031632401.db2.gz YQRAEJRPUJKVEA-CQSZACIVSA-N -1 0 330.457 3.559 20 0 EHADRM Cc1nc(C)c(CN(CCC(=O)[O-])Cc2cccc(F)c2F)s1 ZINC000565102336 1031642678 /nfs/dbraw/zinc/64/26/78/1031642678.db2.gz GVTWFXTZZJJLGR-UHFFFAOYSA-N -1 0 340.395 3.515 20 0 EHADRM c1cc(-c2ccccc2)sc1CN=c1[n-]c(C2CCOCC2)no1 ZINC000528069787 1031650858 /nfs/dbraw/zinc/65/08/58/1031650858.db2.gz BRCAUKIEMPLUMO-UHFFFAOYSA-N -1 0 341.436 3.726 20 0 EHADRM O=C([O-])[C@H](NCc1cnc(C2CC2)o1)c1cccc(Cl)c1Cl ZINC000904025391 1031667161 /nfs/dbraw/zinc/66/71/61/1031667161.db2.gz GCFXZGLPTKMFHO-CYBMUJFWSA-N -1 0 341.194 3.774 20 0 EHADRM CC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(-c2nc(C)cc(=O)[nH]2)cc1 ZINC000448796067 1031703227 /nfs/dbraw/zinc/70/32/27/1031703227.db2.gz QLGAGJJUJOJAPR-CJNGLKHVSA-N -1 0 325.412 3.510 20 0 EHADRM Cc1cc2c(c(F)c1)C[C@@H](c1nc(C3(C(=O)[O-])CCCCC3)no1)N2 ZINC000904078201 1031707555 /nfs/dbraw/zinc/70/75/55/1031707555.db2.gz URAZXFGUMZJIHI-AWEZNQCLSA-N -1 0 345.374 3.513 20 0 EHADRM O=C(Nc1ccc2c(c1)C(=O)CCC2)c1cc(F)c(F)c([O-])c1F ZINC000180128899 1031803422 /nfs/dbraw/zinc/80/34/22/1031803422.db2.gz CYCWZCCAXQTSFS-UHFFFAOYSA-N -1 0 335.281 3.581 20 0 EHADRM Cc1cc(C)cc(NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)c1 ZINC000904194866 1031842497 /nfs/dbraw/zinc/84/24/97/1031842497.db2.gz ONEUSIQSXBIMTG-UHFFFAOYSA-N -1 0 328.412 3.810 20 0 EHADRM Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000180348529 1031842898 /nfs/dbraw/zinc/84/28/98/1031842898.db2.gz HKWBMZIRGJTDON-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM O=C([O-])N[C@H]1C[C@@H](Nc2cnn(-c3ccccc3Cl)c2)C12CCC2 ZINC000904225979 1031863508 /nfs/dbraw/zinc/86/35/08/1031863508.db2.gz OEJKLWDPFJBTPO-CABCVRRESA-N -1 0 346.818 3.516 20 0 EHADRM CC(C)Cn1ncc(N[C@@H]2C[C@H](NC(=O)[O-])C23CCC3)c1C(C)C ZINC000904229015 1031867071 /nfs/dbraw/zinc/86/70/71/1031867071.db2.gz ZYNKWQMHXFFJIH-CABCVRRESA-N -1 0 334.464 3.653 20 0 EHADRM Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)cc1F ZINC000475747216 1031881867 /nfs/dbraw/zinc/88/18/67/1031881867.db2.gz IGNLCKDAUQALSY-UHFFFAOYSA-N -1 0 349.305 3.675 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)c(F)cc1F ZINC000484690971 1031884582 /nfs/dbraw/zinc/88/45/82/1031884582.db2.gz QKCKMDBXMKWRHK-UHFFFAOYSA-N -1 0 349.358 3.933 20 0 EHADRM CC(C)[C@H](C)CC(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000455911406 1031959476 /nfs/dbraw/zinc/95/94/76/1031959476.db2.gz BQJMTLYHQLTILQ-YGRLFVJLSA-N -1 0 331.334 3.787 20 0 EHADRM O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)c1ccc(O)cc1F ZINC000163827763 1031969732 /nfs/dbraw/zinc/96/97/32/1031969732.db2.gz RGXSDCNIHMPYAH-ZDUSSCGKSA-N -1 0 349.230 3.843 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NC[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000666111500 1032015149 /nfs/dbraw/zinc/01/51/49/1032015149.db2.gz ONUQJIFBAGDUOV-OKYOBFRVSA-N -1 0 341.451 3.744 20 0 EHADRM CC1=C(C(=O)N[C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)CCC1 ZINC000455914183 1032017782 /nfs/dbraw/zinc/01/77/82/1032017782.db2.gz CZMITOCRPAHRGB-CYBMUJFWSA-N -1 0 327.302 3.605 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(C(=O)[C@H]2CC=CCC2)CC1 ZINC000262946467 1032018244 /nfs/dbraw/zinc/01/82/44/1032018244.db2.gz IEEQYMRMIAFMGZ-INIZCTEOSA-N -1 0 327.424 3.522 20 0 EHADRM CCc1ncc(S(=O)(=O)[N-]c2cc(C(C)(C)C)ccc2O)s1 ZINC000460777848 1032021270 /nfs/dbraw/zinc/02/12/70/1032021270.db2.gz JLFIUBDUSBXEHB-UHFFFAOYSA-N -1 0 340.470 3.509 20 0 EHADRM C[C@@H]1CN(C(=O)c2cccc(OC3CCCCC3)c2)CC[C@@H]1C(=O)[O-] ZINC000449005604 1032046154 /nfs/dbraw/zinc/04/61/54/1032046154.db2.gz WFAUWAMQAXCBCQ-KDOFPFPSSA-N -1 0 345.439 3.581 20 0 EHADRM COC(=O)CCCc1ccc(Nc2ccc(C(=O)[O-])cc2C)cc1 ZINC001211624423 1033350550 /nfs/dbraw/zinc/35/05/50/1033350550.db2.gz HCOLCLBWHPOYIX-UHFFFAOYSA-N -1 0 327.380 3.933 20 0 EHADRM CCSCc1ccc(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000594462672 1033408241 /nfs/dbraw/zinc/40/82/41/1033408241.db2.gz OXSVWXIUDIGDSJ-VBNZEHGJSA-N -1 0 349.496 3.805 20 0 EHADRM COc1ccccc1[C@H](C)NC(=O)c1c(C)ccc(C)c1C(=O)[O-] ZINC000326645081 1033491342 /nfs/dbraw/zinc/49/13/42/1033491342.db2.gz WGYQONMOBKQKLM-ZDUSSCGKSA-N -1 0 327.380 3.501 20 0 EHADRM O=C([O-])CCC[S@](=O)c1ccc(-c2cncc(C(F)F)c2)cc1 ZINC000594871952 1033528805 /nfs/dbraw/zinc/52/88/05/1033528805.db2.gz HOGPHFVXLNFZIO-QHCPKHFHSA-N -1 0 339.363 3.659 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N2CCC(C3CCCC3)CC2)s1 ZINC000608264096 1033558822 /nfs/dbraw/zinc/55/88/22/1033558822.db2.gz SDLALHUHPAWMBR-UHFFFAOYSA-N -1 0 336.505 3.737 20 0 EHADRM Cc1ccc(Cc2n[n-]c(=NC(=O)N[C@@H]3CCCC[C@H]3C)s2)cc1 ZINC000594942030 1033587875 /nfs/dbraw/zinc/58/78/75/1033587875.db2.gz BBHTUBZVOZWSJZ-UKRRQHHQSA-N -1 0 344.484 3.559 20 0 EHADRM CCN(CC)C(=O)c1ccccc1Nc1ccc(C(=O)[O-])cc1C ZINC001211626717 1033602469 /nfs/dbraw/zinc/60/24/69/1033602469.db2.gz SYXQSTICULIVRA-UHFFFAOYSA-N -1 0 326.396 3.919 20 0 EHADRM Cc1cccc([C@@H](NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)C(C)C)c1 ZINC000529224329 1033624752 /nfs/dbraw/zinc/62/47/52/1033624752.db2.gz ATKVIYNSGRWMRV-YJBOKZPZSA-N -1 0 332.444 3.588 20 0 EHADRM Cc1ccc(NC(=O)c2c([O-])cc(F)cc2F)cc1-c1ncco1 ZINC000150944323 1033671718 /nfs/dbraw/zinc/67/17/18/1033671718.db2.gz ADVFTXHUTVBLIS-UHFFFAOYSA-N -1 0 330.290 3.886 20 0 EHADRM CC(C)(C)C[C@@H]([N-]S(=O)(=O)CCc1ccccc1)C(F)(F)F ZINC000537565028 1033694890 /nfs/dbraw/zinc/69/48/90/1033694890.db2.gz SVMNBUZQQQTKAX-CYBMUJFWSA-N -1 0 337.407 3.516 20 0 EHADRM Cc1cc(C([O-])=C[S@](=O)Cc2ccc(C(C)C)cc2)c(C)n1C ZINC000603534550 1033739691 /nfs/dbraw/zinc/73/96/91/1033739691.db2.gz RECNBNSAVUBTFM-HSZRJFAPSA-N -1 0 331.481 3.897 20 0 EHADRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccccc2C(C)(C)C)c1 ZINC000460412955 1033745574 /nfs/dbraw/zinc/74/55/74/1033745574.db2.gz QRDBBKVEKATTSC-UHFFFAOYSA-N -1 0 349.452 3.802 20 0 EHADRM CCc1ncc(C(=O)Nc2c(F)cc(Br)cc2F)s1 ZINC000608557089 1033759232 /nfs/dbraw/zinc/75/92/32/1033759232.db2.gz XEBFZMRQJWBUHR-UHFFFAOYSA-N -1 0 347.184 3.999 20 0 EHADRM Cc1ncsc1CSc1n[n-]c(=NCCc2ccccc2)s1 ZINC000575096928 1033875828 /nfs/dbraw/zinc/87/58/28/1033875828.db2.gz JNYRMUZUTIJRER-UHFFFAOYSA-N -1 0 348.522 3.672 20 0 EHADRM CCC[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000612036693 1033931376 /nfs/dbraw/zinc/93/13/76/1033931376.db2.gz OAQJELXTYYYITP-QMMMGPOBSA-N -1 0 329.771 3.826 20 0 EHADRM Cc1ccc2oc(C(=O)N[C@@H](CC(=O)[O-])c3cccs3)cc2c1 ZINC000237910343 1034041156 /nfs/dbraw/zinc/04/11/56/1034041156.db2.gz YIBITWRMDVFFEB-LBPRGKRZSA-N -1 0 329.377 3.749 20 0 EHADRM Fc1ccc(Oc2ccnc(CN=c3[n-]c(C4CCC4)no3)c2)cc1 ZINC000450326847 1034107283 /nfs/dbraw/zinc/10/72/83/1034107283.db2.gz JBTUEPIHTFMTMQ-UHFFFAOYSA-N -1 0 340.358 3.698 20 0 EHADRM CCc1ccc2nc([N-]S(=O)(=O)c3ccccc3OC)sc2c1 ZINC000119551379 1034191514 /nfs/dbraw/zinc/19/15/14/1034191514.db2.gz IVCHWYIVAVXPOH-UHFFFAOYSA-N -1 0 348.449 3.668 20 0 EHADRM CC(C)[C@H]1CCCN(C(=O)c2nn(-c3ccccc3F)cc2[O-])CC1 ZINC000604088488 1034199324 /nfs/dbraw/zinc/19/93/24/1034199324.db2.gz CEEOOZNCMSRXKG-AWEZNQCLSA-N -1 0 345.418 3.615 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N2C[C@@H](c3ccccc3)C[C@@H]2C)s1 ZINC000604609872 1034436183 /nfs/dbraw/zinc/43/61/83/1034436183.db2.gz OIMHKILWYGXKDV-ZFWWWQNUSA-N -1 0 344.484 3.713 20 0 EHADRM [O-]c1c(Cl)cc(CN2CC[C@@]3(CCCO3)C2)cc1Br ZINC001231745671 1034460128 /nfs/dbraw/zinc/46/01/28/1034460128.db2.gz HYPUGEUDUDQGHV-AWEZNQCLSA-N -1 0 346.652 3.563 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000604709118 1034462812 /nfs/dbraw/zinc/46/28/12/1034462812.db2.gz QZKLRCKSOBYVCG-SNVBAGLBSA-N -1 0 333.844 3.549 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000450532388 1034466225 /nfs/dbraw/zinc/46/62/25/1034466225.db2.gz OSTGMJHURVXYIT-VDHUWJSZSA-N -1 0 329.440 3.672 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000450529986 1034489213 /nfs/dbraw/zinc/48/92/13/1034489213.db2.gz BIXZOVJOEYCGAM-QAPCUYQASA-N -1 0 337.419 3.722 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)Nc2cccc(OC(F)F)c2)s[n-]1 ZINC000604801823 1034510817 /nfs/dbraw/zinc/51/08/17/1034510817.db2.gz SMWPYBCNFUVTIK-UHFFFAOYSA-N -1 0 342.371 3.503 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)N(Cc2ccccc2F)C2CC2)s[n-]1 ZINC000604801879 1034511759 /nfs/dbraw/zinc/51/17/59/1034511759.db2.gz RRLIFSAPAYCDNA-UHFFFAOYSA-N -1 0 348.447 3.593 20 0 EHADRM O=S(=O)([N-][C@H](c1ccccc1)C(F)F)c1c(F)cccc1Cl ZINC000431629808 1034525196 /nfs/dbraw/zinc/52/51/96/1034525196.db2.gz YEUFTYVQZRLSGG-GFCCVEGCSA-N -1 0 349.761 3.764 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N=c2nc(-c3cccnc3)[n-]s2)cc1 ZINC000534436624 1034541419 /nfs/dbraw/zinc/54/14/19/1034541419.db2.gz UBQGNCFFFSNDKA-UHFFFAOYSA-N -1 0 338.436 3.572 20 0 EHADRM Cc1cc(C)cc(C(=O)/C(C#N)=C/c2ccccc2OCC(=O)[O-])c1 ZINC000060452871 1034547330 /nfs/dbraw/zinc/54/73/30/1034547330.db2.gz PLLYBWCYFLSIRK-LICLKQGHSA-N -1 0 335.359 3.557 20 0 EHADRM COCCSc1ccc([C@H](C)Nc2ncccc2C(=O)[O-])cc1 ZINC000647449760 1034581011 /nfs/dbraw/zinc/58/10/11/1034581011.db2.gz QKATXJZFSLSPMD-LBPRGKRZSA-N -1 0 332.425 3.691 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc3ccccc3c2)cc1C ZINC000060498112 1034627689 /nfs/dbraw/zinc/62/76/89/1034627689.db2.gz NOFVXIAHNCXILK-UHFFFAOYSA-N -1 0 339.416 3.575 20 0 EHADRM COCC[C@@H](N=c1[n-]nc(C2CC2)o1)c1cccc(C(F)(F)F)c1 ZINC000450803823 1034815795 /nfs/dbraw/zinc/81/57/95/1034815795.db2.gz LLXKHEAVCGESPT-CYBMUJFWSA-N -1 0 341.333 3.577 20 0 EHADRM COc1cc([C@H](C)N=c2[n-]c(C(C)C)no2)ccc1OCC(C)C ZINC000605691109 1034819732 /nfs/dbraw/zinc/81/97/32/1034819732.db2.gz BMLVTEBERRGMBJ-ZDUSSCGKSA-N -1 0 333.432 3.831 20 0 EHADRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc3ccoc3c2)c1C ZINC000570031545 1034996024 /nfs/dbraw/zinc/99/60/24/1034996024.db2.gz WWTJKKNBMVQFQA-UHFFFAOYSA-N -1 0 345.376 3.549 20 0 EHADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(Cl)cc1C(C)C ZINC000530146650 1035005699 /nfs/dbraw/zinc/00/56/99/1035005699.db2.gz OIGYEKOXYANQSH-UHFFFAOYSA-N -1 0 341.864 3.615 20 0 EHADRM Cc1cc(N(C)C)cc(C)c1[N-]S(=O)(=O)c1sccc1Cl ZINC000450982017 1035010904 /nfs/dbraw/zinc/01/09/04/1035010904.db2.gz BJAUDHOYYPNGEX-UHFFFAOYSA-N -1 0 344.889 3.885 20 0 EHADRM CCc1c([N-]S(=O)(=O)c2cc(C)cs2)cnn1CCC(C)C ZINC000451042362 1035041092 /nfs/dbraw/zinc/04/10/92/1035041092.db2.gz QCXZNSJJXGFMJM-UHFFFAOYSA-N -1 0 341.502 3.662 20 0 EHADRM O=C([O-])c1ccc(-c2nc(CN3CCC(F)(F)CC3)cs2)cc1 ZINC000530173371 1035046810 /nfs/dbraw/zinc/04/68/10/1035046810.db2.gz VMSDMCSJUUFEND-UHFFFAOYSA-N -1 0 338.379 3.739 20 0 EHADRM CCn1c(CN(C)Cc2ccc(F)cc2)nc2cc(C(=O)[O-])ccc21 ZINC000570338388 1035204085 /nfs/dbraw/zinc/20/40/85/1035204085.db2.gz SJEXRLMLZIIKQJ-UHFFFAOYSA-N -1 0 341.386 3.526 20 0 EHADRM Cc1cc(NC(=O)Cc2cccc3cccnc32)cc(C(=O)[O-])c1C ZINC000431685245 1035234823 /nfs/dbraw/zinc/23/48/23/1035234823.db2.gz JIZFTSFAYSICGT-UHFFFAOYSA-N -1 0 334.375 3.731 20 0 EHADRM CC(=O)N[C@@H](CCC(C)C)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000613157674 1035429400 /nfs/dbraw/zinc/42/94/00/1035429400.db2.gz AWIABXYEHYJUPS-ZDUSSCGKSA-N -1 0 347.242 3.578 20 0 EHADRM CC(=O)N[C@H](CCC(C)C)C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000613181821 1035439778 /nfs/dbraw/zinc/43/97/78/1035439778.db2.gz CGDUUYDOZYAHFM-GFCCVEGCSA-N -1 0 347.242 3.578 20 0 EHADRM Cc1cc(Cl)cc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)c1 ZINC000431782819 1035480881 /nfs/dbraw/zinc/48/08/81/1035480881.db2.gz HAYKYPLHANDDBD-INIZCTEOSA-N -1 0 331.799 3.903 20 0 EHADRM Cc1ccc(CNC(=O)C[C@](C)(C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000414111715 1035555180 /nfs/dbraw/zinc/55/51/80/1035555180.db2.gz JGQPQFWUCJJGCP-IBGZPJMESA-N -1 0 345.826 3.697 20 0 EHADRM C[C@H](CC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1)CC(C)(C)C ZINC000613326982 1035572738 /nfs/dbraw/zinc/57/27/38/1035572738.db2.gz XDTDEYCYEWMEEP-LLVKDONJSA-N -1 0 335.473 3.818 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)N[C@@H](CC(=O)[O-])C1CCCCC1 ZINC000540705418 1035585705 /nfs/dbraw/zinc/58/57/05/1035585705.db2.gz RTCJSGYZFJURIA-YOEHRIQHSA-N -1 0 347.455 3.729 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)N[C@@H](CC(=O)[O-])C2CCCCC2)cc1 ZINC000540716050 1035602414 /nfs/dbraw/zinc/60/24/14/1035602414.db2.gz YTZTWMDSGWPMPV-KSSFIOAISA-N -1 0 347.455 3.729 20 0 EHADRM Cc1nccc(-c2cccc(NC(=O)c3cc(F)c([O-])c(F)c3)c2)n1 ZINC000186590873 1035663034 /nfs/dbraw/zinc/66/30/34/1035663034.db2.gz MZDLIBNDNJWCFC-UHFFFAOYSA-N -1 0 341.317 3.688 20 0 EHADRM CC(C)c1ccc(CCNC(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC000540777051 1035671256 /nfs/dbraw/zinc/67/12/56/1035671256.db2.gz UARVCQFNHXSNRE-UHFFFAOYSA-N -1 0 339.435 3.800 20 0 EHADRM FC(F)(F)Oc1ccccc1CN=c1[n-]nc(CC2CCCC2)o1 ZINC000540792682 1035686236 /nfs/dbraw/zinc/68/62/36/1035686236.db2.gz AZGTZGDANDHETI-UHFFFAOYSA-N -1 0 341.333 3.735 20 0 EHADRM FC(F)(F)c1ccccc1CN=c1[n-]nc(CCc2ccccc2)o1 ZINC000540790966 1035687496 /nfs/dbraw/zinc/68/74/96/1035687496.db2.gz BUMQGUCOHUFPJP-UHFFFAOYSA-N -1 0 347.340 3.908 20 0 EHADRM O=C(N=c1ccc(C(F)(F)F)n[n-]1)N[C@H]1CCCCC12CCCC2 ZINC000463672894 1035728484 /nfs/dbraw/zinc/72/84/84/1035728484.db2.gz MMPGNERHORAJKI-NSHDSACASA-N -1 0 342.365 3.542 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2CSc3ccccc32)cc(C(=O)[O-])c1C ZINC000321400075 1035736643 /nfs/dbraw/zinc/73/66/43/1035736643.db2.gz LCOINHJPDGJUET-OAHLLOKOSA-N -1 0 327.405 3.830 20 0 EHADRM CC(C)(C)OC(=O)CC1(C(=O)Nc2ccc(F)c(F)c2[O-])CCC1 ZINC000571805062 1035763172 /nfs/dbraw/zinc/76/31/72/1035763172.db2.gz OMYXDUVRMUPFTD-UHFFFAOYSA-N -1 0 341.354 3.511 20 0 EHADRM C[C@@H]1CCN(C(=O)N=c2[n-]nc(C3CC3)s2)CC12CCCCC2 ZINC000571937637 1035842189 /nfs/dbraw/zinc/84/21/89/1035842189.db2.gz BDUCHGYXBMNJDR-GFCCVEGCSA-N -1 0 334.489 3.662 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1NC(=O)c1cnc2cc(F)c(F)cc2c1O ZINC000892546095 1035879081 /nfs/dbraw/zinc/87/90/81/1035879081.db2.gz BBGZKIRFVRXAJB-BMIGLBTASA-N -1 0 334.366 3.505 20 0 EHADRM CCc1c(C(=O)Nc2ccc(F)c(F)c2[O-])cnn1CCC(C)C ZINC000457288660 1035917231 /nfs/dbraw/zinc/91/72/31/1035917231.db2.gz HQWHYIITKHQWFQ-UHFFFAOYSA-N -1 0 337.370 3.728 20 0 EHADRM COc1cc(F)c(S(=O)(=O)[N-]c2cccc(C(C)C)c2)c(F)c1 ZINC000588629318 1035921655 /nfs/dbraw/zinc/92/16/55/1035921655.db2.gz XIBUIUUYMCSUJS-UHFFFAOYSA-N -1 0 341.379 3.898 20 0 EHADRM C[C@H](CC(=O)[O-])N(C)C(=O)C[C@H](C)c1ccccc1C(F)(F)F ZINC000572017282 1035948080 /nfs/dbraw/zinc/94/80/80/1035948080.db2.gz XGNHLZGDXKUQDS-WDEREUQCSA-N -1 0 331.334 3.521 20 0 EHADRM C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2c(O)cccc2Cl)c1 ZINC000574933619 1035952361 /nfs/dbraw/zinc/95/23/61/1035952361.db2.gz ZQMIHNSKLGBMBV-GWCFXTLKSA-N -1 0 344.798 3.892 20 0 EHADRM Cc1ccc(C(=O)Nc2cc(-c3n[nH]c(=O)[n-]3)ccc2C)c2c1CCC2 ZINC000572133431 1036010760 /nfs/dbraw/zinc/01/07/60/1036010760.db2.gz BABTVTQEFGFKSM-UHFFFAOYSA-N -1 0 348.406 3.535 20 0 EHADRM O=C([O-])CC1(CN2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000572249680 1036033871 /nfs/dbraw/zinc/03/38/71/1036033871.db2.gz UHLGCEOMUAJEOV-AWEZNQCLSA-N -1 0 344.238 3.622 20 0 EHADRM C/C=C/C[C@H](NC(=O)Nc1ccc(OC2CCCC2)cc1)C(=O)[O-] ZINC000572198960 1036038885 /nfs/dbraw/zinc/03/88/85/1036038885.db2.gz YHTOKTTURKUNSH-KZSQQDEKSA-N -1 0 332.400 3.549 20 0 EHADRM O=C(CSc1n[n-]c(=Nc2ccccc2)s1)Cc1ccccc1 ZINC000541287002 1036166017 /nfs/dbraw/zinc/16/60/17/1036166017.db2.gz QSWGGPFKACWJJS-UHFFFAOYSA-N -1 0 341.461 3.608 20 0 EHADRM CCOc1ccc(-c2nc(CN([C@@H](C)C(=O)[O-])C3CC3)cs2)cc1 ZINC000263129434 1036263419 /nfs/dbraw/zinc/26/34/19/1036263419.db2.gz MWIKESRENOESQT-LBPRGKRZSA-N -1 0 346.452 3.646 20 0 EHADRM O=C(N=c1ccc(C(F)(F)F)n[n-]1)c1ccc(C2CCCC2)cc1 ZINC000464323879 1036323849 /nfs/dbraw/zinc/32/38/49/1036323849.db2.gz ZXOBJAFGLTXFAJ-UHFFFAOYSA-N -1 0 335.329 3.827 20 0 EHADRM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccnn2CC(C)C)cc1 ZINC000589265061 1036325426 /nfs/dbraw/zinc/32/54/26/1036325426.db2.gz AVKFWIXSOSFMIC-UHFFFAOYSA-N -1 0 349.500 3.929 20 0 EHADRM Cc1nc(=NC(=O)c2ccc(-c3ccc(F)cc3C)c(F)c2)s[n-]1 ZINC000464420179 1036441036 /nfs/dbraw/zinc/44/10/36/1036441036.db2.gz HAEWPKSVUHVCDY-UHFFFAOYSA-N -1 0 345.374 3.774 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000541575148 1036465486 /nfs/dbraw/zinc/46/54/86/1036465486.db2.gz KMCOCWLBXAMIGU-OLMNPRSZSA-N -1 0 347.455 3.730 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)/C=C\c1nc2ccccc2s1 ZINC000492985295 1036495749 /nfs/dbraw/zinc/49/57/49/1036495749.db2.gz AXHCBINGGACQJK-XPSMFNQNSA-N -1 0 344.436 3.555 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000263173941 1036603597 /nfs/dbraw/zinc/60/35/97/1036603597.db2.gz JQEXMCGHNRQKLX-GXSJLCMTSA-N -1 0 335.400 3.674 20 0 EHADRM CCC[C@H]1CCCCN1C(=O)c1cccc(Br)c1[O-] ZINC000541739145 1036606595 /nfs/dbraw/zinc/60/65/95/1036606595.db2.gz DXEPRTWNBXLCQY-NSHDSACASA-N -1 0 326.234 3.950 20 0 EHADRM CCOC(=O)c1ccc(NC(=O)C[C@H](C)c2ccccc2)c(O)c1 ZINC000535542654 1036619724 /nfs/dbraw/zinc/61/97/24/1036619724.db2.gz NRYFMTIHQZBFJZ-ZDUSSCGKSA-N -1 0 327.380 3.701 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccc2ccccc2c1)C1CCCCCC1 ZINC000102113890 1036626667 /nfs/dbraw/zinc/62/66/67/1036626667.db2.gz JNDSUWQKXIDQRZ-UHFFFAOYSA-N -1 0 331.437 3.615 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)C(=O)[O-] ZINC000263200406 1036628152 /nfs/dbraw/zinc/62/81/52/1036628152.db2.gz UZBZMMAUEKOJBU-WOPDTQHZSA-N -1 0 337.382 3.751 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000176525000 1036636700 /nfs/dbraw/zinc/63/67/00/1036636700.db2.gz GAARPVDHGHPOKJ-YJBOKZPZSA-N -1 0 347.418 3.596 20 0 EHADRM C[C@H](c1cccs1)N(C)C(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000319868425 1036644395 /nfs/dbraw/zinc/64/43/95/1036644395.db2.gz SSEPIYTYEUJRMF-FZKQIMNGSA-N -1 0 331.437 3.700 20 0 EHADRM CCC[C@@H](NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-])C1CCC1 ZINC001626250314 1036659604 /nfs/dbraw/zinc/65/96/04/1036659604.db2.gz ARBKWKBUHVTXFT-OAHLLOKOSA-N -1 0 345.418 3.724 20 0 EHADRM CCCN(CC)c1ccc(C(=O)N=c2nc(C(C)(C)C)[n-]s2)cc1 ZINC000589935474 1036664456 /nfs/dbraw/zinc/66/44/56/1036664456.db2.gz FRHBYPIJMDWKBK-UHFFFAOYSA-N -1 0 346.500 3.746 20 0 EHADRM C[C@@H]1CCc2c(C(=O)N=c3nc(C(C)(C)C)[n-]s3)csc2C1 ZINC000589935794 1036667715 /nfs/dbraw/zinc/66/77/15/1036667715.db2.gz APKFMOOEWSIWCU-SECBINFHSA-N -1 0 335.498 3.696 20 0 EHADRM Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C/c1cc(C(=O)[O-])ncn1 ZINC000535592733 1036695915 /nfs/dbraw/zinc/69/59/15/1036695915.db2.gz IIOURDIDZVUULD-CMDGGOBGSA-N -1 0 348.406 3.515 20 0 EHADRM CC(C)(C)c1ccc(CCCC(=O)N(CCC(=O)[O-])C2CC2)cc1 ZINC000236582002 1036717015 /nfs/dbraw/zinc/71/70/15/1036717015.db2.gz GCAQBAYWWFYQQT-UHFFFAOYSA-N -1 0 331.456 3.773 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc(Br)cc(Cl)c2[O-])[C@H]1C ZINC000177085493 1036764618 /nfs/dbraw/zinc/76/46/18/1036764618.db2.gz FXTQYTGUZKYWQK-YUMQZZPRSA-N -1 0 332.625 3.679 20 0 EHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)Cc2ccc(C(=O)[O-])cc2)o1 ZINC000263299477 1036772190 /nfs/dbraw/zinc/77/21/90/1036772190.db2.gz CWXWSBJQFDJIAG-KRWDZBQOSA-N -1 0 341.407 3.973 20 0 EHADRM Cc1c(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)oc2c1C(=O)CCC2 ZINC000263356391 1036805491 /nfs/dbraw/zinc/80/54/91/1036805491.db2.gz XCHCHSNVTWNRCR-SNVBAGLBSA-N -1 0 341.363 3.547 20 0 EHADRM C[C@H]1CO[C@H](c2ccccc2Cl)CN1Cc1occc1C(=O)[O-] ZINC000580084204 1036809943 /nfs/dbraw/zinc/80/99/43/1036809943.db2.gz NHFXKYXNTUOBLB-NHYWBVRUSA-N -1 0 335.787 3.593 20 0 EHADRM CC1(C)CCCc2sc([N-]S(=O)(=O)c3ccc(F)cc3)nc21 ZINC000685916006 1036824523 /nfs/dbraw/zinc/82/45/23/1036824523.db2.gz MSYDKONUPTYHHY-UHFFFAOYSA-N -1 0 340.445 3.697 20 0 EHADRM CC(C)[C@H](C)N(C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1)C1CC1 ZINC000263377829 1036827252 /nfs/dbraw/zinc/82/72/52/1036827252.db2.gz CFFUBSATHVFGKL-DOTOQJQBSA-N -1 0 346.471 3.681 20 0 EHADRM C[C@@H](NC(=O)c1cc2sc3ccccc3c2s1)[C@@H](C)C(=O)[O-] ZINC000263382031 1036837410 /nfs/dbraw/zinc/83/74/10/1036837410.db2.gz BLPPWYFJTUPUBK-RKDXNWHRSA-N -1 0 333.434 3.955 20 0 EHADRM CC(C)(C)Cc1csc([N-]S(=O)(=O)c2ccc(F)c(F)c2)n1 ZINC000539553350 1036915614 /nfs/dbraw/zinc/91/56/14/1036915614.db2.gz XHQGAGIOFOTEFB-UHFFFAOYSA-N -1 0 346.424 3.811 20 0 EHADRM C[C@@H]1CC[C@@]2(CCN(C(=O)N=c3ccc(-c4ccccc4)n[n-]3)C2)C1 ZINC000541972581 1036925450 /nfs/dbraw/zinc/92/54/50/1036925450.db2.gz LLVVFAOTABBBPR-FOIQADDNSA-N -1 0 336.439 3.610 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2nc3c(ccc(F)c3C)s2)c1 ZINC000464890078 1036957313 /nfs/dbraw/zinc/95/73/13/1036957313.db2.gz HEDLIHLVOFJWNJ-UHFFFAOYSA-N -1 0 336.413 3.853 20 0 EHADRM C[C@H](C(=O)NC1(CC(=O)[O-])CCCCC1)c1cc2ccccc2o1 ZINC000539604776 1036969744 /nfs/dbraw/zinc/96/97/44/1036969744.db2.gz CHPYQCQVBGILND-ZDUSSCGKSA-N -1 0 329.396 3.830 20 0 EHADRM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)[N-]OCCC(F)(F)F ZINC000162605380 1036973282 /nfs/dbraw/zinc/97/32/82/1036973282.db2.gz XYDIAURYUSZQSB-ZETCQYMHSA-N -1 0 346.132 3.761 20 0 EHADRM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2ccc(F)c(C)c2)c1 ZINC000590695892 1037012801 /nfs/dbraw/zinc/01/28/01/1037012801.db2.gz AJLPFFORJZXASU-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM CCC(=CC(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl)CC ZINC000151534239 1037013474 /nfs/dbraw/zinc/01/34/74/1037013474.db2.gz KUGZSSRRMWDEOV-UHFFFAOYSA-N -1 0 342.269 3.606 20 0 EHADRM Cc1ccc(-c2nc(CC(=O)[N-]OCCC(F)(F)F)cs2)cc1 ZINC000162973640 1037093117 /nfs/dbraw/zinc/09/31/17/1037093117.db2.gz PPODWORHHHCGSJ-UHFFFAOYSA-N -1 0 344.358 3.661 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)cc1 ZINC000263542562 1037102334 /nfs/dbraw/zinc/10/23/34/1037102334.db2.gz RPZOBRSTHBRISL-GUDVDZBRSA-N -1 0 335.403 3.793 20 0 EHADRM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000263581792 1037172195 /nfs/dbraw/zinc/17/21/95/1037172195.db2.gz XQIBBHXNCVVCCB-WZOJCFFYSA-N -1 0 343.467 3.981 20 0 EHADRM C[C@@]1(Cc2ccccc2)CCCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000263581101 1037173032 /nfs/dbraw/zinc/17/30/32/1037173032.db2.gz WSMBWYNQNDOOTG-SFHVURJKSA-N -1 0 329.421 3.684 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cnn([C@H](C)C2CC2)c1 ZINC000414382164 1037183816 /nfs/dbraw/zinc/18/38/16/1037183816.db2.gz ODEXUQPUOKRAMS-LLVKDONJSA-N -1 0 339.848 3.617 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC000653284113 1037269218 /nfs/dbraw/zinc/26/92/18/1037269218.db2.gz XJOCSKIMNJSYDO-HNNXBMFYSA-N -1 0 327.302 3.763 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)NCC(C)(C)c1ccccc1Cl ZINC000659121396 1037313871 /nfs/dbraw/zinc/31/38/71/1037313871.db2.gz GYZPWRIFVDTXQG-UHFFFAOYSA-N -1 0 335.787 3.647 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)C1CCC(C2CC2)CC1)c1ccccc1 ZINC000659129257 1037332675 /nfs/dbraw/zinc/33/26/75/1037332675.db2.gz JZGMFEJXFIGABS-HKFAYQRXSA-N -1 0 329.440 3.781 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(C(=O)[O-])oc1C ZINC000659140972 1037361044 /nfs/dbraw/zinc/36/10/44/1037361044.db2.gz WYLYESIJUNDLAE-UHFFFAOYSA-N -1 0 331.368 3.845 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000659145093 1037370273 /nfs/dbraw/zinc/37/02/73/1037370273.db2.gz MPXZVVVFTNNDRZ-GBESFXJTSA-N -1 0 343.467 3.891 20 0 EHADRM CO[C@@H](CN=c1[n-]c(-c2cccc(Cl)c2)no1)c1ccccc1 ZINC000462784514 1037385361 /nfs/dbraw/zinc/38/53/61/1037385361.db2.gz FKFAXOPNPWZAAI-HNNXBMFYSA-N -1 0 329.787 3.612 20 0 EHADRM Cc1cccc(C)c1[C@@H]1CCCN1C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000659165619 1037398294 /nfs/dbraw/zinc/39/82/94/1037398294.db2.gz ATCXOGCWPZMMJD-SFHVURJKSA-N -1 0 337.419 3.908 20 0 EHADRM Cc1ccc(C(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)cc1 ZINC000058040205 1037398324 /nfs/dbraw/zinc/39/83/24/1037398324.db2.gz ILHCREBWWRBHTM-UHFFFAOYSA-N -1 0 327.405 3.617 20 0 EHADRM CC[C@H](Cc1ccc(F)cc1)NC(=O)CCc1ccccc1C(=O)[O-] ZINC000659168527 1037406479 /nfs/dbraw/zinc/40/64/79/1037406479.db2.gz XDQUIMLOAPOALC-QGZVFWFLSA-N -1 0 343.398 3.594 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)/C=C\c1ccc(OC(F)F)cc1 ZINC000493499618 1037417771 /nfs/dbraw/zinc/41/77/71/1037417771.db2.gz RKMHUZZUGKRVDP-YFHOEESVSA-N -1 0 347.317 3.567 20 0 EHADRM O=C([O-])c1ccc2c(c1)[C@H](CNC(=O)c1ccoc1C1CC1)CCC2 ZINC000659182903 1037431919 /nfs/dbraw/zinc/43/19/19/1037431919.db2.gz SYEWNGQAVRLEIU-HNNXBMFYSA-N -1 0 339.391 3.705 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)[C@@H](C)c2ccc(CC)cc2)n1 ZINC000659188921 1037441219 /nfs/dbraw/zinc/44/12/19/1037441219.db2.gz WYYQCUDKDZYCHB-BBRMVZONSA-N -1 0 343.427 3.614 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)C[C@H](CC)c2ccccc2)n1 ZINC000659185926 1037441587 /nfs/dbraw/zinc/44/15/87/1037441587.db2.gz DPNIGOMRDWSRSD-GOEBONIOSA-N -1 0 343.427 3.831 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cccc3ccccc32)[C@H]2CCCC[C@H]12 ZINC000659192013 1037446661 /nfs/dbraw/zinc/44/66/61/1037446661.db2.gz FHHDLAJXSUXJTN-QRQLOZEOSA-N -1 0 337.419 3.945 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N3CC[C@H](C(=O)[O-])[C@@H]4CCCC[C@H]43)cc2c1 ZINC000659197030 1037454353 /nfs/dbraw/zinc/45/43/53/1037454353.db2.gz ZIKHUHHPVQJCJM-RLFYNMQTSA-N -1 0 340.423 3.582 20 0 EHADRM Cc1ccc(SCC(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)cc1 ZINC000659196840 1037454847 /nfs/dbraw/zinc/45/48/47/1037454847.db2.gz YEAKDMKHMCKJLO-IKGGRYGDSA-N -1 0 347.480 3.579 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(Cl)s2)[C@@H]2CCCC[C@H]12 ZINC000659192787 1037458744 /nfs/dbraw/zinc/45/87/44/1037458744.db2.gz HDVNRPAYQIRWFY-GMTAPVOTSA-N -1 0 327.833 3.507 20 0 EHADRM COc1ccc([C@H]2CCCN2C(=O)c2ccc(C(=O)[O-])s2)cc1F ZINC000659191741 1037459130 /nfs/dbraw/zinc/45/91/30/1037459130.db2.gz HEQWSXKQEHVVAN-GFCCVEGCSA-N -1 0 349.383 3.571 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000659191584 1037459286 /nfs/dbraw/zinc/45/92/86/1037459286.db2.gz LXOYLDASXCSUOU-OFQRWUPVSA-N -1 0 333.428 3.817 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnn(C)c2-c2ccccc2)c(C)c1 ZINC000074563272 1037477491 /nfs/dbraw/zinc/47/74/91/1037477491.db2.gz SKJBDXDDNILVFO-UHFFFAOYSA-N -1 0 341.436 3.505 20 0 EHADRM CCSCc1ccc(C(=O)[N-]S(=O)(=O)C2CCCCC2)cc1 ZINC000058080895 1037483531 /nfs/dbraw/zinc/48/35/31/1037483531.db2.gz MWWVHJLLKWATBD-UHFFFAOYSA-N -1 0 341.498 3.907 20 0 EHADRM COc1cccc(OCCCN=c2nc(-c3ccccc3)[n-]s2)c1 ZINC000462866592 1037492581 /nfs/dbraw/zinc/49/25/81/1037492581.db2.gz OPVVWAFQLWHSLT-UHFFFAOYSA-N -1 0 341.436 3.517 20 0 EHADRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cnn([C@@H](C)C2CC2)c1 ZINC000187740559 1037495625 /nfs/dbraw/zinc/49/56/25/1037495625.db2.gz YQVZTXBDHGXTCQ-NSHDSACASA-N -1 0 339.848 3.617 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000659226158 1037522154 /nfs/dbraw/zinc/52/21/54/1037522154.db2.gz WCHOVNLKGTTXJX-JOYOIKCWSA-N -1 0 347.308 3.509 20 0 EHADRM O=C([O-])COc1cccc(C(=O)N2CCC[C@H](C3CCCCC3)C2)c1 ZINC000659234790 1037548940 /nfs/dbraw/zinc/54/89/40/1037548940.db2.gz UNEFQZLJOLUYMS-KRWDZBQOSA-N -1 0 345.439 3.583 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)CSc1ccc2ccccc2c1 ZINC000659235935 1037551324 /nfs/dbraw/zinc/55/13/24/1037551324.db2.gz RDBNYQMCYGTSFX-LPHOPBHVSA-N -1 0 343.448 3.692 20 0 EHADRM CN=c1[n-]nc(Sc2nc3cc(C(F)(F)F)ccc3s2)s1 ZINC000462930998 1037557664 /nfs/dbraw/zinc/55/76/64/1037557664.db2.gz KXDNQRNTRBRBDI-UHFFFAOYSA-N -1 0 348.400 3.781 20 0 EHADRM COc1ccc2sc(C(=O)N[C@@H]3CCC[C@]3(C)C(=O)[O-])c(C)c2c1 ZINC000659239241 1037562303 /nfs/dbraw/zinc/56/23/03/1037562303.db2.gz ZKHKCDIRUOYVKZ-KDOFPFPSSA-N -1 0 347.436 3.592 20 0 EHADRM C[C@H](CC(=O)N[C@H]1CCC[C@@]1(C)C(=O)[O-])Cc1ccc(Cl)cc1 ZINC000659239455 1037564312 /nfs/dbraw/zinc/56/43/12/1037564312.db2.gz LRMHEQILMWWYDF-XLWVJDPXSA-N -1 0 337.847 3.668 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)CCc1c(Cl)cccc1Cl ZINC000659243918 1037573218 /nfs/dbraw/zinc/57/32/18/1037573218.db2.gz WZUXUQYMJLJQNJ-CZUORRHYSA-N -1 0 344.238 3.686 20 0 EHADRM CC(C)(O)CCC(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000573541905 1037579178 /nfs/dbraw/zinc/57/91/78/1037579178.db2.gz HFUMYMXOTMMPCX-UHFFFAOYSA-N -1 0 326.607 3.842 20 0 EHADRM CC(C)[C@H]1CCCC[C@H]1NC(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000491755737 1037666968 /nfs/dbraw/zinc/66/69/68/1037666968.db2.gz GSDWTWNMOCUQLZ-VXGBXAGGSA-N -1 0 334.445 3.556 20 0 EHADRM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000328342440 1037701198 /nfs/dbraw/zinc/70/11/98/1037701198.db2.gz CDJOOAANUHLVHI-KGLIPLIRSA-N -1 0 342.222 3.619 20 0 EHADRM C[C@H](CN=c1nc(-c2ccccc2)[n-]s1)Oc1ccc(F)cc1 ZINC000463074961 1037741761 /nfs/dbraw/zinc/74/17/61/1037741761.db2.gz WBJDPZOUNWDORQ-GFCCVEGCSA-N -1 0 329.400 3.646 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)Nc1cccc(OCCC(C)C)c1)C1CC1 ZINC000573783176 1037765760 /nfs/dbraw/zinc/76/57/60/1037765760.db2.gz PSKHNNJUWUOMEL-KRWDZBQOSA-N -1 0 348.443 3.971 20 0 EHADRM CC(C)(C)c1n[n-]c(=NCc2ccc(Br)c(Cl)c2)o1 ZINC000491939670 1037811932 /nfs/dbraw/zinc/81/19/32/1037811932.db2.gz WILUTYHKNKHFDE-UHFFFAOYSA-N -1 0 344.640 3.817 20 0 EHADRM CCO[C@@H]1C[C@@H](NC(=O)c2cc3ccccc3cc2O)C12CCC2 ZINC000303912017 1037853449 /nfs/dbraw/zinc/85/34/49/1037853449.db2.gz MRUKKXHTMIASLR-QZTJIDSGSA-N -1 0 325.408 3.623 20 0 EHADRM CCCn1cc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cn1 ZINC000174746012 1037877520 /nfs/dbraw/zinc/87/75/20/1037877520.db2.gz OONCWZSPRYKISG-UHFFFAOYSA-N -1 0 341.436 3.761 20 0 EHADRM Cc1ccsc1C(=O)/C(C#N)=C\c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000058464990 1037939512 /nfs/dbraw/zinc/93/95/12/1037939512.db2.gz MNPAZGOUPONOIT-QENILXLESA-N -1 0 341.388 3.698 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)c1Cl ZINC000540497651 1038020569 /nfs/dbraw/zinc/02/05/69/1038020569.db2.gz YSWWWZDGNFAGFZ-UHFFFAOYSA-N -1 0 347.827 3.839 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(Cl)ccc(C)c3n2)o1 ZINC000540564106 1038099513 /nfs/dbraw/zinc/09/95/13/1038099513.db2.gz NLPGKSNDGDPJCU-UHFFFAOYSA-N -1 0 336.800 3.899 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)/C=C\c1ccccc1OC(F)F ZINC000492214025 1038112245 /nfs/dbraw/zinc/11/22/45/1038112245.db2.gz MQVNXTKIEJYAKH-KTKRTIGZSA-N -1 0 347.317 3.567 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(C)c(-c2nc(C)co2)c1 ZINC000653309708 1038204868 /nfs/dbraw/zinc/20/48/68/1038204868.db2.gz JYRMJPOCTUDJKB-UHFFFAOYSA-N -1 0 330.384 3.788 20 0 EHADRM CC(C)C[C@@H]1CCCN1C(=O)c1cc(F)cc(Br)c1[O-] ZINC000416146983 1038226013 /nfs/dbraw/zinc/22/60/13/1038226013.db2.gz QNNLAIHRXSXJNM-NSHDSACASA-N -1 0 344.224 3.945 20 0 EHADRM C/C(=C/C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1)c1cccc(F)c1 ZINC000236669422 1038258738 /nfs/dbraw/zinc/25/87/38/1038258738.db2.gz HWLBUKBXQZJURQ-LFZMHEMLSA-N -1 0 325.339 3.966 20 0 EHADRM Cc1coc(-c2cc(NC(=O)[C@@]3(C(=O)[O-])CC=CCC3)ccc2C)n1 ZINC000653310155 1038267315 /nfs/dbraw/zinc/26/73/15/1038267315.db2.gz VWNOXWMEBIGDSJ-LJQANCHMSA-N -1 0 340.379 3.708 20 0 EHADRM CC[C@@H](Cc1ccc(Cl)cc1)[N-]S(=O)(=O)[C@H](C)C(F)(F)F ZINC000546778271 1038357057 /nfs/dbraw/zinc/35/70/57/1038357057.db2.gz XCAHAOYUEUCYKR-SKDRFNHKSA-N -1 0 343.798 3.531 20 0 EHADRM CC(C)CCc1n[n-]c(=NCc2ccc(F)cc2Br)o1 ZINC000538593195 1038405375 /nfs/dbraw/zinc/40/53/75/1038405375.db2.gz GQCYUWGJGLNHKJ-UHFFFAOYSA-N -1 0 342.212 3.594 20 0 EHADRM COc1ccc(CN=c2[n-]nc(CC3CCCCC3)o2)cc1Cl ZINC000538592041 1038422399 /nfs/dbraw/zinc/42/23/99/1038422399.db2.gz UFGNQODAJCNSRM-UHFFFAOYSA-N -1 0 335.835 3.888 20 0 EHADRM Cc1ccc(F)cc1CN=c1[n-]nc(CCCc2ccccc2)o1 ZINC000538656562 1038458113 /nfs/dbraw/zinc/45/81/13/1038458113.db2.gz FCROVRNEJTXXQO-UHFFFAOYSA-N -1 0 325.387 3.726 20 0 EHADRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)Nc3cc(F)ccc3C)n2)c1 ZINC000538759442 1038508560 /nfs/dbraw/zinc/50/85/60/1038508560.db2.gz ZVBYSFIOWFFIFI-UHFFFAOYSA-N -1 0 343.333 3.725 20 0 EHADRM C[C@]1(NC(=O)CCCc2ccc(Cl)cc2)CCCC[C@H]1C(=O)[O-] ZINC000431865078 1038563170 /nfs/dbraw/zinc/56/31/70/1038563170.db2.gz ZVHJNHRSWVMYEU-YJBOKZPZSA-N -1 0 337.847 3.812 20 0 EHADRM CCCc1nc(=N[C@H](C)c2ccc(OCC)c(OCC)c2)s[n-]1 ZINC000461732771 1038582648 /nfs/dbraw/zinc/58/26/48/1038582648.db2.gz RQSCUPOVALQUTR-GFCCVEGCSA-N -1 0 335.473 3.883 20 0 EHADRM CCc1cccc(CC)c1[N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C ZINC000416415126 1038647054 /nfs/dbraw/zinc/64/70/54/1038647054.db2.gz HEYGLMCUXBRQRB-ZDUSSCGKSA-N -1 0 347.484 3.706 20 0 EHADRM CCCc1ccc(CCCC(=O)N=c2nc([C@@H](C)OC)[n-]s2)cc1 ZINC000648383919 1038673740 /nfs/dbraw/zinc/67/37/40/1038673740.db2.gz PJFKZSXDKVCUHR-CYBMUJFWSA-N -1 0 347.484 3.581 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2[nH]nc(-c3ccccc3)c2C)c1 ZINC000539113260 1038692332 /nfs/dbraw/zinc/69/23/32/1038692332.db2.gz OLJSUFVXWPOMOH-UHFFFAOYSA-N -1 0 341.436 3.748 20 0 EHADRM CCCc1nc(=N[C@@H](C)c2ccc(Br)s2)s[n-]1 ZINC000461956967 1038694024 /nfs/dbraw/zinc/69/40/24/1038694024.db2.gz JDHKRYLAJJJGGA-ZETCQYMHSA-N -1 0 332.292 3.910 20 0 EHADRM CS[C@@H](C)CCC(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000539135751 1038706144 /nfs/dbraw/zinc/70/61/44/1038706144.db2.gz JILFUYAYYKIZGX-VIFPVBQESA-N -1 0 341.889 3.751 20 0 EHADRM COc1ccc(SCC(=O)Nc2cc(Cl)c([O-])cc2F)cc1 ZINC000554012282 1038804139 /nfs/dbraw/zinc/80/41/39/1038804139.db2.gz MIKMUOGFVLAAFS-UHFFFAOYSA-N -1 0 341.791 3.924 20 0 EHADRM CC(C)(C)OC1CCC(NC(=O)CC2(CC(=O)[O-])CCCC2)CC1 ZINC000910289991 1038809617 /nfs/dbraw/zinc/80/96/17/1038809617.db2.gz VYVZSADVIGASNH-UHFFFAOYSA-N -1 0 339.476 3.654 20 0 EHADRM CC[C@H](CNS(=O)(=O)c1ccccc1Cl)CC(F)(F)F ZINC000416592787 1038815531 /nfs/dbraw/zinc/81/55/31/1038815531.db2.gz JAZHVVGHQQEWNY-VIFPVBQESA-N -1 0 329.771 3.597 20 0 EHADRM O=C([O-])c1csc([C@H]2CCCN2c2ccc(C(F)(F)F)nc2)n1 ZINC000910313338 1038824164 /nfs/dbraw/zinc/82/41/64/1038824164.db2.gz DKIDXCLEPHOFQB-SNVBAGLBSA-N -1 0 343.330 3.597 20 0 EHADRM CCC[C@H](NC(=O)c1cc(=O)n(C)[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000667566956 1038827180 /nfs/dbraw/zinc/82/71/80/1038827180.db2.gz MDNPTVOLKSMAEO-LBPRGKRZSA-N -1 0 342.226 3.704 20 0 EHADRM CC/C(C)=C(\C)C(=O)N1CCC(c2nc(C)c(C(=O)[O-])s2)CC1 ZINC000910357749 1038853806 /nfs/dbraw/zinc/85/38/06/1038853806.db2.gz PRIOIKHCPJSNST-ZHACJKMWSA-N -1 0 336.457 3.602 20 0 EHADRM CC[C@H]1C[C@@H](C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)CCO1 ZINC000910359549 1038855149 /nfs/dbraw/zinc/85/51/49/1038855149.db2.gz CYDBPCFOOREYJH-ZFWWWQNUSA-N -1 0 327.380 3.682 20 0 EHADRM CSc1cc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(C)c2)c(C)o1 ZINC000910371348 1038866298 /nfs/dbraw/zinc/86/62/98/1038866298.db2.gz WJPBYOPNEKWSJN-AWEZNQCLSA-N -1 0 333.409 3.564 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N[C@@H](C)Cc2cccs2)s1 ZINC000479921661 1038877422 /nfs/dbraw/zinc/87/74/22/1038877422.db2.gz AELVOFVVAVEWEK-NSHDSACASA-N -1 0 338.502 3.507 20 0 EHADRM O=C([O-])CC1(CC(=O)N2CC[C@@]3(CCc4ccccc43)C2)CCCC1 ZINC000910381172 1038890961 /nfs/dbraw/zinc/89/09/61/1038890961.db2.gz JBUWBYAZCQRFPI-NRFANRHFSA-N -1 0 341.451 3.528 20 0 EHADRM Cc1nc(N2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)ccc1C(=O)[O-] ZINC000910386685 1038892395 /nfs/dbraw/zinc/89/23/95/1038892395.db2.gz SWMYTCDOAPWGJW-BZSNNMDCSA-N -1 0 338.407 3.587 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)N[C@H](CC(=O)[O-])C1CCCCC1 ZINC000554086742 1038896108 /nfs/dbraw/zinc/89/61/08/1038896108.db2.gz NIJXLALERLWWSX-CXAGYDPISA-N -1 0 335.419 3.544 20 0 EHADRM O=C([O-])[C@@H]1CN(c2cc(C3CC3)nc(C3CC3)n2)C[C@H]1c1ccccc1 ZINC000910470166 1038930013 /nfs/dbraw/zinc/93/00/13/1038930013.db2.gz OFFFWQDABHDENQ-DLBZAZTESA-N -1 0 349.434 3.536 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000910507699 1038953128 /nfs/dbraw/zinc/95/31/28/1038953128.db2.gz ZMIMWXJLQKJYEP-NRFANRHFSA-N -1 0 337.419 3.855 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C1CCCC1 ZINC000910566915 1038969407 /nfs/dbraw/zinc/96/94/07/1038969407.db2.gz JHUPMHDGPHPWDV-ZDUSSCGKSA-N -1 0 330.211 3.757 20 0 EHADRM CC(C)O[C@H](CSc1n[n-]c(=NC2CC2)s1)c1ccccc1 ZINC000488230789 1038978430 /nfs/dbraw/zinc/97/84/30/1038978430.db2.gz GUEZJRFKKVEHID-CQSZACIVSA-N -1 0 335.498 3.793 20 0 EHADRM CC[C@@H](C)n1ncc(NC(=O)c2oc(C(=O)[O-])cc2C)c1C1CC1 ZINC000910649476 1039002094 /nfs/dbraw/zinc/00/20/94/1039002094.db2.gz YMIHDJDKSJYYQB-SNVBAGLBSA-N -1 0 331.372 3.583 20 0 EHADRM CC(C)CCn1ncc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1C(C)C ZINC000910654862 1039006272 /nfs/dbraw/zinc/00/62/72/1039006272.db2.gz DCJOLNVGURMMBS-CABCVRRESA-N -1 0 349.475 3.882 20 0 EHADRM CCc1ccccc1OCCC(=O)Nc1cc(C(C)=O)ccc1[O-] ZINC000552149930 1039027059 /nfs/dbraw/zinc/02/70/59/1039027059.db2.gz PWXSTPFYJDFAIS-UHFFFAOYSA-N -1 0 327.380 3.565 20 0 EHADRM CC(C)c1sc(NC(=O)C[C@@H]2OCc3ccccc32)nc1C(=O)[O-] ZINC000910706907 1039029407 /nfs/dbraw/zinc/02/94/07/1039029407.db2.gz UDPUGAKKFPYGAV-LBPRGKRZSA-N -1 0 346.408 3.565 20 0 EHADRM CCC(CC)(CCO)CNC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000155589302 1039049183 /nfs/dbraw/zinc/04/91/83/1039049183.db2.gz OEERBHTVDBKUHW-UHFFFAOYSA-N -1 0 334.243 3.618 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910743231 1039071138 /nfs/dbraw/zinc/07/11/38/1039071138.db2.gz NGSPBONILVKQOQ-UHFFFAOYSA-N -1 0 336.800 3.933 20 0 EHADRM CC(C)(CNC(=O)c1ccccc1SCc1ccco1)CC(=O)[O-] ZINC000910820764 1039094717 /nfs/dbraw/zinc/09/47/17/1039094717.db2.gz JHLDNEZIARMGLV-UHFFFAOYSA-N -1 0 347.436 3.803 20 0 EHADRM CSc1ccc(O)c(C(=O)Nc2cnn(C3CCCC3)c2C)c1 ZINC000614049924 1039113659 /nfs/dbraw/zinc/11/36/59/1039113659.db2.gz WVGMAAJNJIKYQT-UHFFFAOYSA-N -1 0 331.441 3.986 20 0 EHADRM COc1cccc(C2(CN=c3nc([C@@H](C)OC)[n-]s3)CCCC2)c1 ZINC000509749674 1039119677 /nfs/dbraw/zinc/11/96/77/1039119677.db2.gz FCUQTMQRKFLZLQ-CYBMUJFWSA-N -1 0 347.484 3.600 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CCC[C@@H]1[C@@H](C)c1ccccc1 ZINC000910935747 1039143455 /nfs/dbraw/zinc/14/34/55/1039143455.db2.gz MKQAJCUVYHLFOJ-DZGCQCFKSA-N -1 0 327.380 3.695 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cnc([C@@H]2CCCO2)s1 ZINC000910953010 1039155403 /nfs/dbraw/zinc/15/54/03/1039155403.db2.gz HIAGWKYVHAQTQX-ZDUSSCGKSA-N -1 0 346.408 3.508 20 0 EHADRM Cc1c(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])sc2cccc(F)c12 ZINC000261663914 1039170481 /nfs/dbraw/zinc/17/04/81/1039170481.db2.gz KWCDAKZLIRMMNN-ZIBATOQPSA-N -1 0 347.411 3.674 20 0 EHADRM CCN(C(=O)c1ccn(C2CCCCC2)n1)c1cccc(C(=O)[O-])c1 ZINC000910968953 1039172584 /nfs/dbraw/zinc/17/25/84/1039172584.db2.gz WQDWKAROFSRBBA-UHFFFAOYSA-N -1 0 341.411 3.753 20 0 EHADRM CCN(C(=O)[C@@H]1SCCc2sccc21)c1cccc(C(=O)[O-])c1 ZINC000910971874 1039174820 /nfs/dbraw/zinc/17/48/20/1039174820.db2.gz SZLDCQPBANRKJY-OAHLLOKOSA-N -1 0 347.461 3.830 20 0 EHADRM CCCCC[C@H](C)CC(=O)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC000911036425 1039209029 /nfs/dbraw/zinc/20/90/29/1039209029.db2.gz YKWGYERQLZRAKY-QWHCGFSZSA-N -1 0 338.473 3.764 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]c1ncccc1F ZINC000480152251 1039232786 /nfs/dbraw/zinc/23/27/86/1039232786.db2.gz LBKZUIRFIDDDLA-UHFFFAOYSA-N -1 0 340.763 3.730 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N([C@H](C)c2ccccc2)C2CC2)s1 ZINC000554351251 1039251808 /nfs/dbraw/zinc/25/18/08/1039251808.db2.gz AOQWBLKNPVRBKF-LLVKDONJSA-N -1 0 348.497 3.830 20 0 EHADRM CC(C)(C)c1ncsc1C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000236771420 1039255387 /nfs/dbraw/zinc/25/53/87/1039255387.db2.gz LEJCFKIRXPXBEZ-RMKNXTFCSA-N -1 0 330.409 3.791 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000236838334 1039266560 /nfs/dbraw/zinc/26/65/60/1039266560.db2.gz QRYLLBUZKGHKQI-MNOVXSKESA-N -1 0 344.238 3.857 20 0 EHADRM CC[C@](C)(NC(=O)/C=C/c1ccc(C(=O)[O-])cc1)c1nc(C)cs1 ZINC000236919427 1039279432 /nfs/dbraw/zinc/27/94/32/1039279432.db2.gz XWUYFUAEPVHRLK-HKMNZKMDSA-N -1 0 344.436 3.605 20 0 EHADRM CN(C)c1ccc(NC(=O)CC2CCC(C(=O)[O-])CC2)cc1Cl ZINC000911241760 1039295230 /nfs/dbraw/zinc/29/52/30/1039295230.db2.gz JQHZVTLVALOZLD-UHFFFAOYSA-N -1 0 338.835 3.626 20 0 EHADRM COc1ccc2c(c1[N-]S(=O)(=O)c1ccc(SC)cc1)CCC2 ZINC000480190857 1039297042 /nfs/dbraw/zinc/29/70/42/1039297042.db2.gz ADEFKPGPKOMZEE-UHFFFAOYSA-N -1 0 349.477 3.707 20 0 EHADRM CC[C@H](C(=O)NCCCCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000237082012 1039302479 /nfs/dbraw/zinc/30/24/79/1039302479.db2.gz VJVPQSOKDHHAGJ-AWEZNQCLSA-N -1 0 345.361 3.960 20 0 EHADRM Clc1ccc2c(c1)[C@H](N=c1nc(-c3ccccc3)[n-]s1)CO2 ZINC000500735459 1039303970 /nfs/dbraw/zinc/30/39/70/1039303970.db2.gz AGVSHWCJZHWBAM-CYBMUJFWSA-N -1 0 329.812 3.826 20 0 EHADRM O=C([O-])C1(CC(=O)NCC(F)(F)c2ccc(Cl)cc2)CCCC1 ZINC000349002997 1039333138 /nfs/dbraw/zinc/33/31/38/1039333138.db2.gz JEUZKJZLALWXBX-UHFFFAOYSA-N -1 0 345.773 3.583 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)C[C@@H]1OCCc2ccccc21)C(=O)[O-] ZINC000236690157 1039347007 /nfs/dbraw/zinc/34/70/07/1039347007.db2.gz QMJTXLCLPFROPW-FXAWDEMLSA-N -1 0 347.455 3.620 20 0 EHADRM CC1(C)Cc2c(cccc2Br)[C@H]1N=c1[n-]nc(C2CC2)o1 ZINC000488714467 1039353427 /nfs/dbraw/zinc/35/34/27/1039353427.db2.gz NMGLBFRJKQWAAH-CYBMUJFWSA-N -1 0 348.244 3.867 20 0 EHADRM CC1(C)Cc2cc(NC(=O)c3ccccc3CCC(=O)[O-])ccc2O1 ZINC000911466153 1039372085 /nfs/dbraw/zinc/37/20/85/1039372085.db2.gz NXZXKSKTWZOFON-UHFFFAOYSA-N -1 0 339.391 3.670 20 0 EHADRM C[C@H](N=c1nc(-c2ccccc2)[n-]s1)[C@@H]1OCCc2sccc21 ZINC000488747507 1039381849 /nfs/dbraw/zinc/38/18/49/1039381849.db2.gz OIMAKKKTECKXBV-NHYWBVRUSA-N -1 0 343.477 3.803 20 0 EHADRM Cc1ccc(NC(=O)CC2CCC(C(=O)[O-])CC2)cc1-c1ncco1 ZINC000911479780 1039385720 /nfs/dbraw/zinc/38/57/20/1039385720.db2.gz NQXGTWILDBPTMW-UHFFFAOYSA-N -1 0 342.395 3.870 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)Nc1ccc(F)cc1OC(C)(C)C ZINC000911497401 1039391605 /nfs/dbraw/zinc/39/16/05/1039391605.db2.gz IDXBZXKLIADCHS-UHFFFAOYSA-N -1 0 335.331 3.855 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)Nc1c(F)cccc1F)C1CCCCC1 ZINC000237614059 1039397104 /nfs/dbraw/zinc/39/71/04/1039397104.db2.gz QZGWLIFLOKQKOO-QGZVFWFLSA-N -1 0 325.355 3.965 20 0 EHADRM Cc1ccc(NC(=O)C2(c3ccc(F)cc3)CCC2)cc1C(=O)[O-] ZINC000237663250 1039414370 /nfs/dbraw/zinc/41/43/70/1039414370.db2.gz YREVNUYLFFGADI-UHFFFAOYSA-N -1 0 327.355 3.893 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC000911570373 1039418660 /nfs/dbraw/zinc/41/86/60/1039418660.db2.gz IASGAOAYPDSRMQ-SJLPKXTDSA-N -1 0 341.382 3.519 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)CCCC1 ZINC000569121727 1039437973 /nfs/dbraw/zinc/43/79/73/1039437973.db2.gz ANAIQXOMFREYRR-UHFFFAOYSA-N -1 0 349.390 3.813 20 0 EHADRM COc1ccccc1[C@H]1C[C@@H]1C(=O)Nc1cc(C(=O)[O-])c(C)cc1F ZINC000911680204 1039455130 /nfs/dbraw/zinc/45/51/30/1039455130.db2.gz BGPLJQPATBUZPP-KGLIPLIRSA-N -1 0 343.354 3.583 20 0 EHADRM C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000911680518 1039455214 /nfs/dbraw/zinc/45/52/14/1039455214.db2.gz YGRLQSTXLURCCQ-SMDDNHRTSA-N -1 0 343.345 3.507 20 0 EHADRM Cc1nc(CC(C)C)oc1C(=O)Nc1cc(C(=O)[O-])c(C)cc1F ZINC000911686521 1039460975 /nfs/dbraw/zinc/46/09/75/1039460975.db2.gz LZOOMCCREXIDIJ-UHFFFAOYSA-N -1 0 334.347 3.580 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N[C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000911759192 1039506362 /nfs/dbraw/zinc/50/63/62/1039506362.db2.gz IOXPQPYWEGVNDD-SYAUCNOPSA-N -1 0 335.831 3.593 20 0 EHADRM O=C(N=c1nc2ccccn2[n-]1)N(Cc1ccccc1)C1CCCCC1 ZINC000567404475 1039567016 /nfs/dbraw/zinc/56/70/16/1039567016.db2.gz DSMNPVGAOULXAQ-UHFFFAOYSA-N -1 0 349.438 3.518 20 0 EHADRM CC1(C)[C@@H](N=c2[n-]nc(C(F)F)s2)C[C@@H]1OCc1ccccc1 ZINC000554679408 1039595123 /nfs/dbraw/zinc/59/51/23/1039595123.db2.gz PJCYLNJQZJEUPK-RYUDHWBXSA-N -1 0 339.411 3.693 20 0 EHADRM COc1ccc(CCCC(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)cc1 ZINC000485958261 1039722070 /nfs/dbraw/zinc/72/20/70/1039722070.db2.gz QBOZBMYZNRYKIU-UHFFFAOYSA-N -1 0 341.407 3.972 20 0 EHADRM CC[C@@H](Oc1ccccc1F)C(=O)Nc1cc(C)c(C)c(C(=O)[O-])c1 ZINC000485955321 1039736722 /nfs/dbraw/zinc/73/67/22/1039736722.db2.gz KIGBFUCYOIYVSA-MRXNPFEDSA-N -1 0 345.370 3.937 20 0 EHADRM Cc1cccc(CO[N-]C(=O)CSCc2cccc(Cl)c2)n1 ZINC000898938347 1039744483 /nfs/dbraw/zinc/74/44/83/1039744483.db2.gz XANBLAOSDGBOHR-UHFFFAOYSA-N -1 0 336.844 3.525 20 0 EHADRM CCc1n[n-]c(=NC(=O)N(C)[C@@H](c2ccc(F)cc2)C(C)C)s1 ZINC000432885373 1039787740 /nfs/dbraw/zinc/78/77/40/1039787740.db2.gz SJNSXRTZTHYEQG-CQSZACIVSA-N -1 0 336.436 3.523 20 0 EHADRM CCc1ccc(S(=O)(=O)Nc2c(C)cccc2CC)cc1C(=O)[O-] ZINC000152928691 1039806754 /nfs/dbraw/zinc/80/67/54/1039806754.db2.gz YFMSSHYAVMAJCL-UHFFFAOYSA-N -1 0 347.436 3.619 20 0 EHADRM CC(=C\c1cccc(C(F)(F)F)c1)/C=C\c1cc(=O)n2[nH]cnc2n1 ZINC000486143578 1039917181 /nfs/dbraw/zinc/91/71/81/1039917181.db2.gz HEBNGICFPFLDIF-GNLLZQBYSA-N -1 0 346.312 3.553 20 0 EHADRM O=C([O-])c1cc(/C=C\c2cocn2)nc(-c2ccc(Cl)cc2)n1 ZINC000486198041 1039970613 /nfs/dbraw/zinc/97/06/13/1039970613.db2.gz QGWAAAFVYDOAPG-WAYWQWQTSA-N -1 0 327.727 3.654 20 0 EHADRM Cc1cc(C)c(NC(=O)CCCOC(=O)c2ccc(O)cc2)c(C)c1 ZINC000042138574 1039980284 /nfs/dbraw/zinc/98/02/84/1039980284.db2.gz QLXPMXPDALFGEM-UHFFFAOYSA-N -1 0 341.407 3.893 20 0 EHADRM COc1ccccc1[C@@H](NCc1cnc(C2CCCC2)s1)C(=O)[O-] ZINC000417561362 1039986189 /nfs/dbraw/zinc/98/61/89/1039986189.db2.gz AZRJZTAVHSKJQJ-MRXNPFEDSA-N -1 0 346.452 3.725 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc3c[nH]nc3cc2C)sc1Cl ZINC000479115921 1039989513 /nfs/dbraw/zinc/98/95/13/1039989513.db2.gz PLENSDQFHKPLGN-UHFFFAOYSA-N -1 0 341.845 3.695 20 0 EHADRM CC(C)c1ccc([C@@H](CC(=O)[O-])NCc2ccn(C(F)F)n2)cc1 ZINC000417578265 1040024662 /nfs/dbraw/zinc/02/46/62/1040024662.db2.gz YACWSLYLCYAHGW-OAHLLOKOSA-N -1 0 337.370 3.707 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])[NH2+]Cc2cnc(C(C)C)s2)c1 ZINC000417584835 1040033942 /nfs/dbraw/zinc/03/39/42/1040033942.db2.gz OGDADNGCXIRBHU-HNNXBMFYSA-N -1 0 334.441 3.581 20 0 EHADRM CCOc1c(CNc2ccc(F)c(C(=O)[O-])c2)c(C)nn1CC(C)C ZINC000417575755 1040037992 /nfs/dbraw/zinc/03/79/92/1040037992.db2.gz JSQWZDGNSWQADW-UHFFFAOYSA-N -1 0 349.406 3.696 20 0 EHADRM Cc1ccc2[nH]c(CN[C@H](C)c3ncc(C(=O)[O-])s3)cc2c1C ZINC000584840348 1040045343 /nfs/dbraw/zinc/04/53/43/1040045343.db2.gz YSWOFGOGEVBOKS-LLVKDONJSA-N -1 0 329.425 3.790 20 0 EHADRM CSCc1cnc(CNC2(C(=O)[O-])CCC(C)(C)CC2)s1 ZINC000417594732 1040047540 /nfs/dbraw/zinc/04/75/40/1040047540.db2.gz XCNVHZYXHIIKKY-UHFFFAOYSA-N -1 0 328.503 3.519 20 0 EHADRM Cc1csc(CN[C@@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)n1 ZINC000417593410 1040047650 /nfs/dbraw/zinc/04/76/50/1040047650.db2.gz VBPLWQLMLRBPJB-LBPRGKRZSA-N -1 0 344.358 3.776 20 0 EHADRM Cc1c(NC(=O)CCCOc2ccc(F)cc2)cccc1C(=O)[O-] ZINC000324751558 1040048851 /nfs/dbraw/zinc/04/88/51/1040048851.db2.gz STBHNDWSEMKUMR-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM O=C([O-])[C@@H]([NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)C1CC1 ZINC000417606820 1040057783 /nfs/dbraw/zinc/05/77/83/1040057783.db2.gz LEEGFRUPLBKRFN-HNNXBMFYSA-N -1 0 339.313 3.918 20 0 EHADRM CCCn1nc(C)c(CNc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1C ZINC000417606708 1040058579 /nfs/dbraw/zinc/05/85/79/1040058579.db2.gz FBRXSHPAOKLWRY-CYBMUJFWSA-N -1 0 329.444 3.785 20 0 EHADRM CC(C)(CNC(=O)N=c1[n-]nc(C(F)F)s1)C1=CCCCC1 ZINC000480819581 1040064588 /nfs/dbraw/zinc/06/45/88/1040064588.db2.gz IRBDTDSPVSVXGV-UHFFFAOYSA-N -1 0 330.404 3.546 20 0 EHADRM CC(C)=CCSC[C@H](NCc1coc(-c2ccccc2)n1)C(=O)[O-] ZINC000417631578 1040092509 /nfs/dbraw/zinc/09/25/09/1040092509.db2.gz VVQMWRIZFXKXLT-INIZCTEOSA-N -1 0 346.452 3.584 20 0 EHADRM COC1(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CCCCCC1 ZINC000907597926 1040106682 /nfs/dbraw/zinc/10/66/82/1040106682.db2.gz WUHBSCRSJYEGEG-UHFFFAOYSA-N -1 0 333.428 3.727 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)N[C@H]3CCCC[C@@H]3C)cc2)cc(=O)[nH]1 ZINC000332699255 1040106877 /nfs/dbraw/zinc/10/68/77/1040106877.db2.gz NURQGEOCWGPILC-LRDDRELGSA-N -1 0 340.427 3.858 20 0 EHADRM Cc1nc([C@H](C)NC(=O)[C@]2(C)CCC(C)=C(C)C2)sc1C(=O)[O-] ZINC000907629778 1040110684 /nfs/dbraw/zinc/11/06/84/1040110684.db2.gz TWVXBHQYAKGPNY-YVEFUNNKSA-N -1 0 336.457 3.854 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1cc(C2CC2)oc1C1CC1 ZINC000907659394 1040119416 /nfs/dbraw/zinc/11/94/16/1040119416.db2.gz DLFNIDOQUSYURY-UHFFFAOYSA-N -1 0 341.363 3.994 20 0 EHADRM C[C@H](Sc1ccc(NCc2cn(C)nc2C(C)(C)C)cc1)C(=O)[O-] ZINC000417660205 1040123416 /nfs/dbraw/zinc/12/34/16/1040123416.db2.gz QAPSSWNCMMZEFL-LBPRGKRZSA-N -1 0 347.484 3.895 20 0 EHADRM CC(C)(C)c1ccc(CSCC(=O)NC2CC(CC(=O)[O-])C2)cc1 ZINC000907778196 1040167436 /nfs/dbraw/zinc/16/74/36/1040167436.db2.gz ZAXPNQNIEWSEJL-UHFFFAOYSA-N -1 0 349.496 3.587 20 0 EHADRM CSc1ccc(N(C)C(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)cc1 ZINC000907813785 1040181867 /nfs/dbraw/zinc/18/18/67/1040181867.db2.gz LFJRNDZPTZGFPP-LPHOPBHVSA-N -1 0 341.432 3.630 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)Nc1ccc(OCC2CCCCC2)cc1 ZINC000417761213 1040218336 /nfs/dbraw/zinc/21/83/36/1040218336.db2.gz RSRSEFQGMQDOEO-UHFFFAOYSA-N -1 0 348.443 3.974 20 0 EHADRM CC(C)(CNC(=O)CC1(C(=O)[O-])Cc2ccccc2C1)C1CCCC1 ZINC000512586550 1040222118 /nfs/dbraw/zinc/22/21/18/1040222118.db2.gz JYWIJSLNKCUZQT-UHFFFAOYSA-N -1 0 343.467 3.579 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N=c1[n-]nc(C(C)C)s1 ZINC000479434429 1040226074 /nfs/dbraw/zinc/22/60/74/1040226074.db2.gz ATEUWHUUGOUOEA-UHFFFAOYSA-N -1 0 335.429 3.998 20 0 EHADRM CC(C)(C)c1nc(=N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)s[n-]1 ZINC000489901779 1040226677 /nfs/dbraw/zinc/22/66/77/1040226677.db2.gz XRMSGMULAKMYDV-UONOGXRCSA-N -1 0 335.448 3.729 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@H]23)cc1Cl ZINC000907944764 1040238808 /nfs/dbraw/zinc/23/88/08/1040238808.db2.gz ONLDFGNYHSRJJK-CQJJVWNLSA-N -1 0 335.831 3.693 20 0 EHADRM CC(C)[C@@H](C(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@H]12)c1cccc(Cl)c1 ZINC000907942791 1040240060 /nfs/dbraw/zinc/24/00/60/1040240060.db2.gz ZXXGOJKEZAAYEK-XSIBGMEISA-N -1 0 349.858 3.695 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)C(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@H]12 ZINC000907952194 1040244118 /nfs/dbraw/zinc/24/41/18/1040244118.db2.gz IBLVHVQNKUWWRP-HQMXNFIDSA-N -1 0 343.467 3.507 20 0 EHADRM C[C@@H](C(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@H]12)c1ccc2ccccc2c1 ZINC000907961742 1040247368 /nfs/dbraw/zinc/24/73/68/1040247368.db2.gz WETBLSQKSQRUMH-ZGFXHQAVSA-N -1 0 337.419 3.559 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(C3(C)CCCC3)on2)sc1C ZINC000432958372 1040270965 /nfs/dbraw/zinc/27/09/65/1040270965.db2.gz GPSQDAYLFIGPRF-UHFFFAOYSA-N -1 0 340.470 3.985 20 0 EHADRM CN(C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(CC(=O)[O-])c1 ZINC000908077638 1040288244 /nfs/dbraw/zinc/28/82/44/1040288244.db2.gz LPJXBXIEKBRKIC-QWHCGFSZSA-N -1 0 343.345 3.645 20 0 EHADRM CSc1c(F)cccc1NC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000899312917 1040313548 /nfs/dbraw/zinc/31/35/48/1040313548.db2.gz BXGSAWPYOINFAE-LLVKDONJSA-N -1 0 340.420 3.799 20 0 EHADRM CC1(C)Cc2cccc(NC(=O)N3CCCC[C@H]3CCC(=O)[O-])c2O1 ZINC000899313415 1040313835 /nfs/dbraw/zinc/31/38/35/1040313835.db2.gz KDTAXUNHJHMKBK-AWEZNQCLSA-N -1 0 346.427 3.651 20 0 EHADRM O=C(CCCC1CCCC1)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC000908164385 1040314772 /nfs/dbraw/zinc/31/47/72/1040314772.db2.gz HYYRARBNVGXHFP-SWKXRBFHSA-N -1 0 339.501 3.592 20 0 EHADRM Fc1ccccc1[C@H]1CC[C@H](N=c2[n-]nc(-c3ccccn3)s2)C1 ZINC000481082652 1040337433 /nfs/dbraw/zinc/33/74/33/1040337433.db2.gz AJBURAXMOIFANH-STQMWFEESA-N -1 0 340.427 3.909 20 0 EHADRM Cc1ccccc1-n1cc(C(=O)Nc2cc(Cl)c([O-])cc2F)cn1 ZINC000553689708 1040339620 /nfs/dbraw/zinc/33/96/20/1040339620.db2.gz MVSURZHJBFIUJZ-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM O=S(=O)([N-]c1cc(F)cc(Cl)c1)c1ccc2ncsc2c1 ZINC000479521879 1040341400 /nfs/dbraw/zinc/34/14/00/1040341400.db2.gz KWIQORHBMRCDIV-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM CC(C)c1ccc(O[C@@H](C)CN=c2[n-]nc(-c3ccon3)s2)cc1 ZINC000553704976 1040344045 /nfs/dbraw/zinc/34/40/45/1040344045.db2.gz LNIAFNRZWMOUHU-LBPRGKRZSA-N -1 0 344.440 3.618 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)CCc2ccccc2C(=O)[O-])cn1 ZINC000908222212 1040347108 /nfs/dbraw/zinc/34/71/08/1040347108.db2.gz UARGFYUPSMBKDM-UHFFFAOYSA-N -1 0 326.396 3.649 20 0 EHADRM O=C([O-])[C@@H]1CC[N@H+](Cc2coc(-c3cccc(F)c3)n2)[C@@H]2CCC[C@@H]21 ZINC000629371562 1040373928 /nfs/dbraw/zinc/37/39/28/1040373928.db2.gz AOFFQCMMTRVALR-BRWVUGGUSA-N -1 0 344.386 3.556 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cccc(C(C)(C)C)c2O)cc1C ZINC000479555405 1040374750 /nfs/dbraw/zinc/37/47/50/1040374750.db2.gz DSBXNRQALVNKCV-UHFFFAOYSA-N -1 0 349.452 3.808 20 0 EHADRM Cc1cccc([C@@H]2C[C@H]2C(=O)NCCCCC2(C(=O)[O-])CCC2)c1 ZINC000908332783 1040396552 /nfs/dbraw/zinc/39/65/52/1040396552.db2.gz JBFUXKSXIUJDSA-DLBZAZTESA-N -1 0 329.440 3.640 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908341348 1040401363 /nfs/dbraw/zinc/40/13/63/1040401363.db2.gz LBIWGYJLDHPGLO-AWEZNQCLSA-N -1 0 335.419 3.546 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)C2(c3cccc(Cl)c3)CCCC2)C1 ZINC000908366799 1040414857 /nfs/dbraw/zinc/41/48/57/1040414857.db2.gz ROHRGUPEKLNRPL-CJNGLKHVSA-N -1 0 349.858 3.911 20 0 EHADRM CC[C@H](CC(C)C)C(=O)Nc1ccc(-n2[n-]c(C3CC3)cc2=O)nc1 ZINC000912863680 1040418591 /nfs/dbraw/zinc/41/85/91/1040418591.db2.gz CEWDJSNQOVVHFX-CYBMUJFWSA-N -1 0 342.443 3.595 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 ZINC000364203343 1040420002 /nfs/dbraw/zinc/42/00/02/1040420002.db2.gz WRIBJBATBMNGGF-UHFFFAOYSA-N -1 0 339.391 3.806 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)c2cc3c(ccc4ccccc34)o2)C1 ZINC000908376116 1040419971 /nfs/dbraw/zinc/41/99/71/1040419971.db2.gz LDFGMJZNQXJLFW-OCCSQVGLSA-N -1 0 337.375 3.959 20 0 EHADRM CCc1sc(C(=O)N=c2[n-]nc(/C=C\c3ccco3)s2)cc1C ZINC000490315843 1040478368 /nfs/dbraw/zinc/47/83/68/1040478368.db2.gz NPMXNFGGTMXTPZ-SREVYHEPSA-N -1 0 345.449 3.908 20 0 EHADRM Cn1ccc([C@H](NCc2cc(O)cc(F)c2)c2ccc(Cl)cc2)n1 ZINC000364225905 1040507534 /nfs/dbraw/zinc/50/75/34/1040507534.db2.gz WXQOSTDLSAFQFR-GOSISDBHSA-N -1 0 345.805 3.797 20 0 EHADRM CC[C@@H](C)c1cccc(NC(=O)N(C)[C@@H](COC(C)C)C(=O)[O-])c1 ZINC000908628084 1040538034 /nfs/dbraw/zinc/53/80/34/1040538034.db2.gz MPBIWMQLICGCKS-CJNGLKHVSA-N -1 0 336.432 3.542 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)N2CCCCC[C@H]2C(=O)[O-])c1 ZINC000908634250 1040540908 /nfs/dbraw/zinc/54/09/08/1040540908.db2.gz GUBGHJARFAZHLI-INIZCTEOSA-N -1 0 348.443 3.863 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)Nc1cccc(COC(C)(C)C)c1)C1CCC1 ZINC000908640623 1040545948 /nfs/dbraw/zinc/54/59/48/1040545948.db2.gz YYZGWWQHMYUMIN-CYBMUJFWSA-N -1 0 348.443 3.861 20 0 EHADRM CC[C@H](c1ccccc1)N(CC)C(=O)N=c1[n-]nc(C2CC2)s1 ZINC000555422138 1040560114 /nfs/dbraw/zinc/56/01/14/1040560114.db2.gz KMZGLNACCHTUHB-CQSZACIVSA-N -1 0 330.457 3.843 20 0 EHADRM FC(F)(F)Oc1ccc(CN=c2[n-]nc(Cc3ccccc3)o2)cc1 ZINC000479756047 1040574129 /nfs/dbraw/zinc/57/41/29/1040574129.db2.gz QUOVMDPSWBYGSX-UHFFFAOYSA-N -1 0 349.312 3.593 20 0 EHADRM O=C(c1nn(-c2ccc(Cl)cc2)cc1[O-])N1CC=CC12CCCC2 ZINC000913202654 1040632367 /nfs/dbraw/zinc/63/23/67/1040632367.db2.gz RAEXAKUIJSZKGH-UHFFFAOYSA-N -1 0 343.814 3.556 20 0 EHADRM O=C([O-])C12CCC(C(=O)Nc3ccc(OCC4CC4)cc3)(CC1)CC2 ZINC000908797470 1040656367 /nfs/dbraw/zinc/65/63/67/1040656367.db2.gz CNXQXKCQVIVWST-UHFFFAOYSA-N -1 0 343.423 3.839 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000908834342 1040675292 /nfs/dbraw/zinc/67/52/92/1040675292.db2.gz GYVHSBHKJBSAIQ-CYBMUJFWSA-N -1 0 345.420 3.541 20 0 EHADRM CC[C@H]1C[C@@H](CC(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)CCO1 ZINC000908900438 1040708257 /nfs/dbraw/zinc/70/82/57/1040708257.db2.gz AGXQHPFGFXNYOK-ZFWWWQNUSA-N -1 0 349.427 3.706 20 0 EHADRM CCC[C@@H](NC(=O)N(CC)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000780527123 1040750730 /nfs/dbraw/zinc/75/07/30/1040750730.db2.gz XTTKFIWTFOSFDY-CYBMUJFWSA-N -1 0 346.349 3.663 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000909059481 1040783109 /nfs/dbraw/zinc/78/31/09/1040783109.db2.gz XEWMVCDVRQMEPI-ZUZCIYMTSA-N -1 0 331.334 3.569 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)CC1CC(OC(C)(C)C)C1)c1ccccc1 ZINC000909065233 1040786594 /nfs/dbraw/zinc/78/65/94/1040786594.db2.gz BVUZWGZBIMYTPO-YMEAELAKSA-N -1 0 347.455 3.548 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)Cc1ccc(SC2CC2)cc1 ZINC000909069379 1040789432 /nfs/dbraw/zinc/78/94/32/1040789432.db2.gz CKUCOJSGIAXSOM-UHFFFAOYSA-N -1 0 341.432 3.749 20 0 EHADRM Cc1ccc(NC(=O)c2ccn(C3CCCCC3)n2)cc1C(=O)[O-] ZINC000909294222 1040911450 /nfs/dbraw/zinc/91/14/50/1040911450.db2.gz HKZMYFRAPAICCF-UHFFFAOYSA-N -1 0 327.384 3.647 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]c1ncc(C)c(-c2ccccc2)n1 ZINC000433155675 1040936961 /nfs/dbraw/zinc/93/69/61/1040936961.db2.gz FRPZYFJNJIPPMC-UHFFFAOYSA-N -1 0 339.420 3.561 20 0 EHADRM N#CCSc1ccccc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000054734409 1040987543 /nfs/dbraw/zinc/98/75/43/1040987543.db2.gz LPQGCBKDKDDFBC-ZDUSSCGKSA-N -1 0 333.372 3.934 20 0 EHADRM CCCCN(C(=O)c1cc(Br)c(F)cc1[O-])C1CC1 ZINC000448663865 1041004848 /nfs/dbraw/zinc/00/48/48/1041004848.db2.gz HAINJDXXLHCSIW-UHFFFAOYSA-N -1 0 330.197 3.699 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@@]2(c3ccccc3)C[C@H](F)C2)c1 ZINC000909831047 1041017313 /nfs/dbraw/zinc/01/73/13/1041017313.db2.gz NDIQYXBGGPJUAM-RISOHXOYSA-N -1 0 341.382 3.883 20 0 EHADRM CC(C)(CC(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)[O-])CC(F)F ZINC000909814729 1041020597 /nfs/dbraw/zinc/02/05/97/1041020597.db2.gz AYJVKCFZSLWJKT-LBPRGKRZSA-N -1 0 347.789 3.523 20 0 EHADRM CCC(CC)(CC(=O)N[C@H](c1ccc(OC)cc1)C1CC1)C(=O)[O-] ZINC000325107938 1041029743 /nfs/dbraw/zinc/02/97/43/1041029743.db2.gz YDNNPLGVZDUKGH-KRWDZBQOSA-N -1 0 333.428 3.544 20 0 EHADRM Cc1cc(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)nn1[C@@H](C)C1CC1 ZINC000909837503 1041033568 /nfs/dbraw/zinc/03/35/68/1041033568.db2.gz WWLYZOZEOQKNRC-OLZOCXBDSA-N -1 0 341.411 3.603 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)CCCc2ccc(O)c(F)c2)cc1 ZINC000909836783 1041034244 /nfs/dbraw/zinc/03/42/44/1041034244.db2.gz RTIHMGWLKWZLPY-LBPRGKRZSA-N -1 0 345.370 3.681 20 0 EHADRM COc1cc(NC(=O)[C@@H](C(=O)[O-])C(C)C)c(C2CC2)cc1Cl ZINC000909918114 1041053181 /nfs/dbraw/zinc/05/31/81/1041053181.db2.gz MAWPLIJGKGTVLS-AWEZNQCLSA-N -1 0 325.792 3.521 20 0 EHADRM CC(C)(CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21)CC(F)F ZINC000909961413 1041084214 /nfs/dbraw/zinc/08/42/14/1041084214.db2.gz MFYUJMFJXHJARP-AGIUHOORSA-N -1 0 331.403 3.550 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000899763121 1041091552 /nfs/dbraw/zinc/09/15/52/1041091552.db2.gz ZXNFVTGAQOEEPX-WCQYABFASA-N -1 0 343.370 3.602 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N[C@@H](C)c2c(F)cccc2F)C(=O)[O-])cc1 ZINC000899765012 1041093689 /nfs/dbraw/zinc/09/36/89/1041093689.db2.gz OENQWJPFESOKHJ-GXTWGEPZSA-N -1 0 347.361 3.709 20 0 EHADRM Cc1ccc([C@H](CC(=O)Nc2cc(O)c(C)cc2C)C(=O)[O-])cc1 ZINC000899782040 1041105000 /nfs/dbraw/zinc/10/50/00/1041105000.db2.gz QQIUEKKTJDKAQO-HNNXBMFYSA-N -1 0 327.380 3.514 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])C[C@@H]1C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000899772313 1041110340 /nfs/dbraw/zinc/11/03/40/1041110340.db2.gz VYVPNQLROHNXRW-VQIMIIECSA-N -1 0 340.379 3.559 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000899775383 1041111931 /nfs/dbraw/zinc/11/19/31/1041111931.db2.gz YIDIAWWCDFOBCF-NVXWUHKLSA-N -1 0 346.471 3.601 20 0 EHADRM Cc1ccc([C@H](CC(=O)N[C@@H](C)c2cccc(F)c2F)C(=O)[O-])cc1 ZINC000899775195 1041112048 /nfs/dbraw/zinc/11/20/48/1041112048.db2.gz KCRMXLUEBDZPGB-WFASDCNBSA-N -1 0 347.361 3.709 20 0 EHADRM CC(=O)c1ccc(NC(=O)C[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1C ZINC000899776647 1041115414 /nfs/dbraw/zinc/11/54/14/1041115414.db2.gz ZOTCFMCUQGKLMA-GOSISDBHSA-N -1 0 339.391 3.703 20 0 EHADRM CCC(F)(F)C(C)(C)CNC(=O)C[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC000899793771 1041142823 /nfs/dbraw/zinc/14/28/23/1041142823.db2.gz BDGJNMUHRXRAJU-AWEZNQCLSA-N -1 0 341.398 3.741 20 0 EHADRM O=C([O-])C[C@@H](c1ccccc1)C1CCN(C(=O)C2=CCCC2)CC1 ZINC000910032427 1041145005 /nfs/dbraw/zinc/14/50/05/1041145005.db2.gz OLGOAQVXYILOAS-SFHVURJKSA-N -1 0 327.424 3.594 20 0 EHADRM CC[C@@H]1C[C@H]1C(=O)N1CCC([C@@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000910037033 1041158958 /nfs/dbraw/zinc/15/89/58/1041158958.db2.gz QETLJYKIEXVXGV-FHLIZLRMSA-N -1 0 329.440 3.530 20 0 EHADRM Cc1ccc([C@@H](CC(=O)NC[C@H](C)Cc2cccs2)C(=O)[O-])cc1 ZINC000899821210 1041164048 /nfs/dbraw/zinc/16/40/48/1041164048.db2.gz ZHUIPBMLBJBLIS-RHSMWYFYSA-N -1 0 345.464 3.610 20 0 EHADRM CC(C)(CC(=O)N1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1)CC(F)F ZINC000910099129 1041190459 /nfs/dbraw/zinc/19/04/59/1041190459.db2.gz QKFONBXRNGJFBW-UONOGXRCSA-N -1 0 339.382 3.875 20 0 EHADRM O=C([O-])c1csc([C@H]2CCCN2C(=O)c2cccc(C3CC3)c2)n1 ZINC000910105251 1041192051 /nfs/dbraw/zinc/19/20/51/1041192051.db2.gz UGKVVFCUUBRLHN-OAHLLOKOSA-N -1 0 342.420 3.696 20 0 EHADRM CCCCN(CCCC)C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000555818195 1041192653 /nfs/dbraw/zinc/19/26/53/1041192653.db2.gz XDQVQKQARZSEBA-UHFFFAOYSA-N -1 0 333.407 3.759 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N(C)C2CCC(F)(F)CC2)C(=O)[O-])cc1 ZINC000899831511 1041193039 /nfs/dbraw/zinc/19/30/39/1041193039.db2.gz SXAVOFKJOOKMNR-OAHLLOKOSA-N -1 0 339.382 3.590 20 0 EHADRM C[C@@H](CC(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])cs1)c1ccccc1 ZINC000910111850 1041195280 /nfs/dbraw/zinc/19/52/80/1041195280.db2.gz HEZVYZXTQMXMSH-SWLSCSKDSA-N -1 0 344.436 3.699 20 0 EHADRM O=C([O-])c1csc([C@@H]2CCCN2C(=O)C2CCCCCCC2)n1 ZINC000910115270 1041197368 /nfs/dbraw/zinc/19/73/68/1041197368.db2.gz SPRAEOAJUHCZAC-AWEZNQCLSA-N -1 0 336.457 3.865 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)N[C@H](c1ccncc1)C1CC1)C1CCCCC1 ZINC000899854209 1041235810 /nfs/dbraw/zinc/23/58/10/1041235810.db2.gz HAWJUQOUAGMMIL-AZUAARDMSA-N -1 0 344.455 3.710 20 0 EHADRM COCc1ccc([N-]S(=O)(=O)c2ccc(C)cc2Cl)cc1 ZINC000194242507 1041240393 /nfs/dbraw/zinc/24/03/93/1041240393.db2.gz AYRFMTURQQDFAY-UHFFFAOYSA-N -1 0 325.817 3.596 20 0 EHADRM Cc1cc2occ(CC(=O)N(C)[C@@H](C)CC(=O)[O-])c2cc1C(C)C ZINC000569940685 1041240482 /nfs/dbraw/zinc/24/04/82/1041240482.db2.gz CXXATDPOCPZDLH-ZDUSSCGKSA-N -1 0 331.412 3.729 20 0 EHADRM COc1cc([C@H](C)NC(=O)[C@@H]2CCC[C@H]2C(=O)[O-])cc2ccccc21 ZINC000899857323 1041240426 /nfs/dbraw/zinc/24/04/26/1041240426.db2.gz XJTWOLHNXNWLSP-JCURWCKSSA-N -1 0 341.407 3.527 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C[C@@H]2C=CCCC2)c(OCC(F)F)c1 ZINC000910220481 1041240681 /nfs/dbraw/zinc/24/06/81/1041240681.db2.gz NTESYWPTUHETHG-LLVKDONJSA-N -1 0 339.338 3.714 20 0 EHADRM Cn1cc(-c2ccccc2CN=c2nc(C3CCCC3)[n-]s2)cn1 ZINC000571311546 1041263139 /nfs/dbraw/zinc/26/31/39/1041263139.db2.gz PUSDXTFNDXJODG-UHFFFAOYSA-N -1 0 339.468 3.630 20 0 EHADRM CCc1n[n-]c(=NC(=O)N[C@H](c2cccc(F)c2)C(C)(C)C)s1 ZINC000429220463 1041279378 /nfs/dbraw/zinc/27/93/78/1041279378.db2.gz OCGVKFUDUIBBKO-CYBMUJFWSA-N -1 0 336.436 3.570 20 0 EHADRM CO[C@H](C)c1nc(=N[C@H](C)c2ccc(C(F)(F)F)cc2)s[n-]1 ZINC000509729071 1041324101 /nfs/dbraw/zinc/32/41/01/1041324101.db2.gz OLOKXQAOTWFWGS-RKDXNWHRSA-N -1 0 331.363 3.859 20 0 EHADRM Cc1c(C(=O)Nc2ccc3[n-]c(=S)oc3c2)cnn1CCC(C)C ZINC000162757237 1041353949 /nfs/dbraw/zinc/35/39/49/1041353949.db2.gz XCOJUQBLODXXQD-UHFFFAOYSA-N -1 0 344.440 3.920 20 0 EHADRM Cc1csc(C(=O)Nc2nccc(Br)c2[O-])c1Cl ZINC001169382526 1132738490 /nfs/dbraw/zinc/73/84/90/1132738490.db2.gz GVVKGNNREMQIRR-UHFFFAOYSA-N -1 0 347.621 3.825 20 0 EHADRM OC[C@H](N=c1nc(-c2ccccc2)[n-]s1)c1cccc(Cl)c1F ZINC000513050006 1041426806 /nfs/dbraw/zinc/42/68/06/1041426806.db2.gz CEYRGLDKUBETCE-ZDUSSCGKSA-N -1 0 349.818 3.565 20 0 EHADRM CCO[C@H](CC(=O)Nc1cc(C(=O)[O-])c(C)cc1C)C1=CCCC1 ZINC000431990547 1041452202 /nfs/dbraw/zinc/45/22/02/1041452202.db2.gz BOGJIYCGLTZBMO-QGZVFWFLSA-N -1 0 331.412 3.846 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2OC)cc1 ZINC000511678908 1041453416 /nfs/dbraw/zinc/45/34/16/1041453416.db2.gz BGVVNLPHFKQCSI-UHFFFAOYSA-N -1 0 325.817 3.712 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cnn(C(C)C)c1C1CC1 ZINC000431996434 1041453782 /nfs/dbraw/zinc/45/37/82/1041453782.db2.gz WSZNLFVMPBFPEW-UHFFFAOYSA-N -1 0 341.411 3.909 20 0 EHADRM CCC[C@@H](CC1CCCC1)C(=O)N[C@H](CC1(OC)CCC1)C(=O)[O-] ZINC000652108646 1041618710 /nfs/dbraw/zinc/61/87/10/1041618710.db2.gz UGKXONHAUOFJQL-JKSUJKDBSA-N -1 0 339.476 3.512 20 0 EHADRM Cc1ccc(C(C)C)c(OCC(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])c1 ZINC000432131987 1041631895 /nfs/dbraw/zinc/63/18/95/1041631895.db2.gz XZHJTHHRTBWXKZ-OXQOHEQNSA-N -1 0 347.455 3.647 20 0 EHADRM C[C@H]1CN(C(=O)CC2CCC(C(=O)[O-])CC2)CCc2ccc(F)cc21 ZINC000652122089 1041659235 /nfs/dbraw/zinc/65/92/35/1041659235.db2.gz IYXLRPZWHLHMDP-HLIUYOAVSA-N -1 0 347.430 3.595 20 0 EHADRM COc1cc(Nc2ccc(C(=O)[O-])c(C)c2)ccc1-n1cnc(C)c1 ZINC001211660887 1041706666 /nfs/dbraw/zinc/70/66/66/1041706666.db2.gz QREWYLUSLPNWGQ-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM Cc1cccc(CN(CC(C)C)C(=O)N=c2[n-]nc(C3CC3)s2)c1 ZINC000549537020 1042008979 /nfs/dbraw/zinc/00/89/79/1042008979.db2.gz GXYMHUDXABUUJX-UHFFFAOYSA-N -1 0 344.484 3.836 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1c1ccnc2cc(Br)ccc21 ZINC000662894157 1042204339 /nfs/dbraw/zinc/20/43/39/1042204339.db2.gz UGFHHRXRAFNNNG-QWRGUYRKSA-N -1 0 349.228 3.687 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1coc(C2CCC2)n1)c1cccc(Cl)c1 ZINC000909369140 1042223533 /nfs/dbraw/zinc/22/35/33/1042223533.db2.gz ANBBDQQEFUHROF-CYBMUJFWSA-N -1 0 348.786 3.541 20 0 EHADRM O=C(Nc1ccccc1N1CCCC1=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184203932 1042270206 /nfs/dbraw/zinc/27/02/06/1042270206.db2.gz UAQYARAYOACVAF-UHFFFAOYSA-N -1 0 348.761 3.564 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1cscc1C(F)F ZINC000909374086 1042284587 /nfs/dbraw/zinc/28/45/87/1042284587.db2.gz CTWAOIXZZIXODA-ZDUSSCGKSA-N -1 0 339.363 3.940 20 0 EHADRM Cc1cccc(C)c1NC(=S)N[N-]C(=O)c1cc2ccccc2o1 ZINC000015843903 1042352930 /nfs/dbraw/zinc/35/29/30/1042352930.db2.gz DKPVRTVNVSBJNO-UHFFFAOYSA-N -1 0 339.420 3.681 20 0 EHADRM CCOCc1ccc(CNC(=O)c2cc(F)c([O-])c(Cl)c2)cc1 ZINC000184244068 1042361463 /nfs/dbraw/zinc/36/14/63/1042361463.db2.gz DEDGFRIWLCZZMJ-UHFFFAOYSA-N -1 0 337.778 3.651 20 0 EHADRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(CSC)cc1 ZINC000125605840 1042427665 /nfs/dbraw/zinc/42/76/65/1042427665.db2.gz ZTQVJPUNPMJTEH-MRXNPFEDSA-N -1 0 332.469 3.569 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000663101900 1042452148 /nfs/dbraw/zinc/45/21/48/1042452148.db2.gz MNWLQLCLHCVJST-INIZCTEOSA-N -1 0 332.444 3.752 20 0 EHADRM O=C(NCc1cccc2cccnc21)c1cc(F)c([O-])c(Cl)c1 ZINC000184336606 1042466849 /nfs/dbraw/zinc/46/68/49/1042466849.db2.gz FLIQRBIXDVGBPY-UHFFFAOYSA-N -1 0 330.746 3.663 20 0 EHADRM O=S(=O)(N[C@@H]1CCc2cc(F)ccc21)c1ccc(Cl)cc1F ZINC000511961703 1042488232 /nfs/dbraw/zinc/48/82/32/1042488232.db2.gz UCWVGRYTZSJEKF-CQSZACIVSA-N -1 0 343.782 3.584 20 0 EHADRM CCCc1nc(CN(CCCC(=O)[O-])Cc2ccccc2)cs1 ZINC000652495261 1042506254 /nfs/dbraw/zinc/50/62/54/1042506254.db2.gz QEYGSOHATAMHGP-UHFFFAOYSA-N -1 0 332.469 3.963 20 0 EHADRM Cc1csc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CC3(F)F)cc2)c1 ZINC000663262914 1042611143 /nfs/dbraw/zinc/61/11/43/1042611143.db2.gz ZURJSQXRYGIXIL-GFCCVEGCSA-N -1 0 345.392 3.644 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)NCc1cccc(Cl)c1Cl)C1CCC1 ZINC000663271542 1042617275 /nfs/dbraw/zinc/61/72/75/1042617275.db2.gz MOFGMKBGFJJQHW-SECBINFHSA-N -1 0 345.226 3.531 20 0 EHADRM CC(=O)Nc1cc(NC(=O)c2ccc3c(c2O)CCCC3)ccc1F ZINC000184938205 1042620771 /nfs/dbraw/zinc/62/07/71/1042620771.db2.gz QYISDPYOZJUGOX-UHFFFAOYSA-N -1 0 342.370 3.621 20 0 EHADRM C[C@@H]1[C@H]2C[C@]1(C(=O)[O-])N(C(=O)N(c1ccccc1)c1ccccc1)C2 ZINC000663291863 1042635785 /nfs/dbraw/zinc/63/57/85/1042635785.db2.gz HJYLYESFWWOQHW-SIFCLUCFSA-N -1 0 336.391 3.740 20 0 EHADRM CCOc1ccc(NC(=O)c2cc(F)c([O-])c(F)c2)c2ncccc12 ZINC000185683758 1042637225 /nfs/dbraw/zinc/63/72/25/1042637225.db2.gz YSOSRPCIFGMYNV-UHFFFAOYSA-N -1 0 344.317 3.870 20 0 EHADRM Cn1c2ccc(NC(=O)c3c([O-])cccc3F)cc2nc1C1CC1 ZINC000185767700 1042640053 /nfs/dbraw/zinc/64/00/53/1042640053.db2.gz BVORIQRCKYMDPR-UHFFFAOYSA-N -1 0 325.343 3.548 20 0 EHADRM CCSc1cccc(F)c1NC(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663356020 1042745947 /nfs/dbraw/zinc/74/59/47/1042745947.db2.gz CSPYREROVFTSJL-LLVKDONJSA-N -1 0 340.420 3.560 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ncc(C(C)C)s1)CC(=O)[O-] ZINC000663365092 1042757091 /nfs/dbraw/zinc/75/70/91/1042757091.db2.gz FYBZFELJYYYCOH-NSHDSACASA-N -1 0 327.450 3.525 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)c2ccsc2C(F)(F)F)s[n-]1 ZINC000636791529 1042786072 /nfs/dbraw/zinc/78/60/72/1042786072.db2.gz IKYFIQHFEIQLEV-UHFFFAOYSA-N -1 0 335.376 3.590 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)CCc2ccc(Cl)s2)c2ccccc21 ZINC000653330936 1042864480 /nfs/dbraw/zinc/86/44/80/1042864480.db2.gz LYDGWCDITPKHSS-ZIAGYGMSSA-N -1 0 349.839 3.764 20 0 EHADRM O=C(CSc1nncn1-c1cccc(Cl)c1)c1ccc(O)cc1 ZINC000007319310 1042888688 /nfs/dbraw/zinc/88/86/88/1042888688.db2.gz JJCZECHSTTZBJT-UHFFFAOYSA-N -1 0 345.811 3.601 20 0 EHADRM C[C@H](CCC1CCCCC1)NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000604605113 1042971573 /nfs/dbraw/zinc/97/15/73/1042971573.db2.gz QUVHDJNFBYADDD-CYBMUJFWSA-N -1 0 343.427 3.509 20 0 EHADRM CC(C)(CN=c1[n-]nc(C(F)F)o1)c1ccccc1Br ZINC000432343285 1042978335 /nfs/dbraw/zinc/97/83/35/1042978335.db2.gz UDOMVQSJIKOVNV-UHFFFAOYSA-N -1 0 346.175 3.581 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ncc(-c3ccc(F)cc3)s2)o1 ZINC000432366840 1043009216 /nfs/dbraw/zinc/00/92/16/1043009216.db2.gz HABAJRQZTRLGGU-UHFFFAOYSA-N -1 0 338.385 3.651 20 0 EHADRM O=C([O-])c1cc(NC(=O)CSc2ccc(F)c(F)c2)ccc1F ZINC000319775657 1043071789 /nfs/dbraw/zinc/07/17/89/1043071789.db2.gz LNVQTUIMTBRSNE-UHFFFAOYSA-N -1 0 341.310 3.533 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cccc3ccccc32)cnc1Cl ZINC000318266520 1043282230 /nfs/dbraw/zinc/28/22/30/1043282230.db2.gz KKQVGBAWNIROQT-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000325129042 1043345455 /nfs/dbraw/zinc/34/54/55/1043345455.db2.gz HSTKQSKIBQGRFJ-HNNXBMFYSA-N -1 0 348.761 3.523 20 0 EHADRM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000325129043 1043345700 /nfs/dbraw/zinc/34/57/00/1043345700.db2.gz HSTKQSKIBQGRFJ-OAHLLOKOSA-N -1 0 348.761 3.523 20 0 EHADRM O=[N+]([O-])c1ccc2sc(/C=C/c3ccc([N+](=O)[O-])c([O-])c3)nc2c1 ZINC000261381219 1043424645 /nfs/dbraw/zinc/42/46/45/1043424645.db2.gz KQWSVSRGWPUKJE-QHHAFSJGSA-N -1 0 343.320 3.989 20 0 EHADRM CC[C@@H](NC(=O)c1c([O-])cc(F)cc1F)c1ccc(F)cc1F ZINC000606535285 1043578449 /nfs/dbraw/zinc/57/84/49/1043578449.db2.gz UABJGANJRVDKHU-CYBMUJFWSA-N -1 0 327.277 3.830 20 0 EHADRM COc1ccc(CCC(=O)Nc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000320111875 1043896907 /nfs/dbraw/zinc/89/69/07/1043896907.db2.gz ZYAJSDLQLCPRHU-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccccc2C(C)C)c1 ZINC000344445964 1044022232 /nfs/dbraw/zinc/02/22/32/1044022232.db2.gz IUCJSDCXKNHVIZ-UHFFFAOYSA-N -1 0 333.409 3.519 20 0 EHADRM C[C@@H](C(=O)N1CCC(C)(C(=O)[O-])CC1)c1ccccc1C(F)(F)F ZINC000647762186 1044453628 /nfs/dbraw/zinc/45/36/28/1044453628.db2.gz OXZWNHQZBZIBFG-LLVKDONJSA-N -1 0 343.345 3.522 20 0 EHADRM CC(C)(C)c1ccc(SCC(=O)N(CCC(=O)[O-])C2CC2)cc1 ZINC000236599925 1044508151 /nfs/dbraw/zinc/50/81/51/1044508151.db2.gz CUAZVZDIERMDGZ-UHFFFAOYSA-N -1 0 335.469 3.542 20 0 EHADRM COC(=O)c1c[nH]c(SCCOc2c(Cl)cccc2Cl)n1 ZINC000432662380 1044633801 /nfs/dbraw/zinc/63/38/01/1044633801.db2.gz ZJTDSHQZPKWXLV-UHFFFAOYSA-N -1 0 347.223 3.674 20 0 EHADRM CCCc1n[n-]c(=NC(=O)c2ccsc2-n2c(C)ccc2C)s1 ZINC000344985637 1044776041 /nfs/dbraw/zinc/77/60/41/1044776041.db2.gz ZMVZFKZFSMSVHU-UHFFFAOYSA-N -1 0 346.481 3.634 20 0 EHADRM O=C(CSc1cc(Cl)ccc1Cl)[N-]OC/C=C\Cl ZINC000812407884 1136208942 /nfs/dbraw/zinc/20/89/42/1136208942.db2.gz OSIWSJKAHCZMSZ-RJRFIUFISA-N -1 0 326.632 3.886 20 0 EHADRM CCOc1cc(C(=O)N(Cc2ccccc2)OC)cc(Cl)c1[O-] ZINC000183510189 1125588825 /nfs/dbraw/zinc/58/88/25/1125588825.db2.gz ISICYCBWVGBNII-UHFFFAOYSA-N -1 0 335.787 3.648 20 0 EHADRM CC[C@@H]1CCC[C@H](C)N1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000620576720 1125599462 /nfs/dbraw/zinc/59/94/62/1125599462.db2.gz FAKJLHGHRZLPKZ-QWHCGFSZSA-N -1 0 331.391 3.510 20 0 EHADRM CC(C)N(C)c1cccc(NC(=O)c2cc(F)c(F)c([O-])c2F)c1 ZINC000183595654 1125613185 /nfs/dbraw/zinc/61/31/85/1125613185.db2.gz QRWHGZNPEOOIIF-UHFFFAOYSA-N -1 0 338.329 3.906 20 0 EHADRM Cc1nn(CC(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c(C)c1Cl ZINC000154682649 1125745129 /nfs/dbraw/zinc/74/51/29/1125745129.db2.gz FLGYHRKKVXVFRB-UHFFFAOYSA-N -1 0 348.617 3.804 20 0 EHADRM O=C([O-])C1(CC(=O)N(Cc2ccco2)Cc2ccccc2)CCCC1 ZINC000620823400 1125746235 /nfs/dbraw/zinc/74/62/35/1125746235.db2.gz QJWQAWLQDYMWHQ-UHFFFAOYSA-N -1 0 341.407 3.844 20 0 EHADRM O=C(NCc1ccncc1C(F)(F)F)c1cc(F)c([O-])c(Cl)c1 ZINC000622565747 1126719848 /nfs/dbraw/zinc/71/98/48/1126719848.db2.gz VCYRXQRKXCFTGS-UHFFFAOYSA-N -1 0 348.683 3.529 20 0 EHADRM COC[C@](C)([N-]C(=O)C(F)(F)c1cccc(Cl)c1)C(F)(F)F ZINC000072534753 1126749937 /nfs/dbraw/zinc/74/99/37/1126749937.db2.gz RICUXAMWKSEVOI-NSHDSACASA-N -1 0 345.695 3.515 20 0 EHADRM O=C(CSc1nc2ccccc2o1)Nc1cccc(Cl)c1[O-] ZINC000172355816 1126791255 /nfs/dbraw/zinc/79/12/55/1126791255.db2.gz KYKDRBGPBUMHFY-UHFFFAOYSA-N -1 0 334.784 3.918 20 0 EHADRM Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000336868702 1126813192 /nfs/dbraw/zinc/81/31/92/1126813192.db2.gz YMLYJDSBUDSUFJ-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000325018726 1126822039 /nfs/dbraw/zinc/82/20/39/1126822039.db2.gz DZAPZWAAMKIPRW-KGTBHZDVSA-N -1 0 345.782 3.844 20 0 EHADRM O=C(N[C@H](C(F)F)C1CCCCC1)c1cc(F)c(F)c([O-])c1F ZINC000623046311 1126865608 /nfs/dbraw/zinc/86/56/08/1126865608.db2.gz OVTFBBGHSLXJFH-LBPRGKRZSA-N -1 0 337.288 3.753 20 0 EHADRM CSc1cccc(C)c1[N-]S(=O)(=O)c1cnc(Cl)c(C)c1 ZINC000185336897 1126868706 /nfs/dbraw/zinc/86/87/06/1126868706.db2.gz QFMQUEAORAAUHP-UHFFFAOYSA-N -1 0 342.873 3.875 20 0 EHADRM CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000073037065 1126985624 /nfs/dbraw/zinc/98/56/24/1126985624.db2.gz GIWMJVLPXPEIDX-AWEZNQCLSA-N -1 0 344.440 3.532 20 0 EHADRM Cc1cccc(O)c1C(=O)N1CCC(OCc2ccccc2)CC1 ZINC000623607453 1126995153 /nfs/dbraw/zinc/99/51/53/1126995153.db2.gz GZXRMFBVPPMRDZ-UHFFFAOYSA-N -1 0 325.408 3.522 20 0 EHADRM CCc1ccccc1[N-]S(=O)(=O)c1c(C)nn(CC(C)C)c1C ZINC000181666250 1127288235 /nfs/dbraw/zinc/28/82/35/1127288235.db2.gz BBWJDEPJENSKQN-UHFFFAOYSA-N -1 0 335.473 3.519 20 0 EHADRM Cc1cccc(OC(F)F)c1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000185734009 1127431008 /nfs/dbraw/zinc/43/10/08/1127431008.db2.gz UUGWVELCAOYMDZ-UHFFFAOYSA-N -1 0 347.239 3.972 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)COc2cccc3ccccc32)c1 ZINC000193243103 1127434928 /nfs/dbraw/zinc/43/49/28/1127434928.db2.gz CIFGCLWWYNDFHR-UHFFFAOYSA-N -1 0 339.322 3.695 20 0 EHADRM Cc1sc(Br)nc1C(=O)Nc1cccc(Cl)c1[O-] ZINC000764626117 1127515220 /nfs/dbraw/zinc/51/52/20/1127515220.db2.gz YBWJJMOWNAIFAR-UHFFFAOYSA-N -1 0 347.621 3.825 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2csc(-c3ccccc3)n2)cc1 ZINC000671663417 1127773482 /nfs/dbraw/zinc/77/34/82/1127773482.db2.gz JDBMPHGFQCSCJN-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM CC[C@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1nccs1 ZINC000078022742 1127888284 /nfs/dbraw/zinc/88/82/84/1127888284.db2.gz NTVIYZQHJMJWDO-NPVNMOQSSA-N -1 0 325.777 3.981 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2-c2nnc(C)o2)c(C)s1 ZINC000045774368 1127960005 /nfs/dbraw/zinc/96/00/05/1127960005.db2.gz CRPSAIIRQKDMHX-UHFFFAOYSA-N -1 0 349.437 3.524 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000654793855 1127997714 /nfs/dbraw/zinc/99/77/14/1127997714.db2.gz NOHDFRJHBBVAOK-OCCSQVGLSA-N -1 0 332.400 3.635 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cnc(C(C)(C)C)nc2)c(C)c1 ZINC000063850177 1128158844 /nfs/dbraw/zinc/15/88/44/1128158844.db2.gz RLYOMGPPRXXWHL-UHFFFAOYSA-N -1 0 333.457 3.500 20 0 EHADRM O=S(=O)(Nc1cccc(F)c1)c1ccc(F)c(C(F)(F)F)c1 ZINC000063911164 1128160358 /nfs/dbraw/zinc/16/03/58/1128160358.db2.gz XKQNMTNIIXCKRN-UHFFFAOYSA-N -1 0 337.269 3.784 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cccc(COCC3CC3)c2)CCCC1 ZINC000065012806 1128182294 /nfs/dbraw/zinc/18/22/94/1128182294.db2.gz XZYZUDXUGJJVHF-UHFFFAOYSA-N -1 0 331.412 3.587 20 0 EHADRM CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000065139178 1128185350 /nfs/dbraw/zinc/18/53/50/1128185350.db2.gz UZVYSENEXYOXEU-LLVKDONJSA-N -1 0 346.814 3.826 20 0 EHADRM O=C(Nc1ccc(C(F)F)cc1)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC001649093061 1128216068 /nfs/dbraw/zinc/21/60/68/1128216068.db2.gz PZKXIDIHWQYTIY-UHFFFAOYSA-N -1 0 347.346 3.814 20 0 EHADRM O=C(CC1(C(=O)[O-])CCCC1)Nc1cccc(OC2CCCC2)c1 ZINC000074208215 1128337006 /nfs/dbraw/zinc/33/70/06/1128337006.db2.gz XEHRIIGAQFCDNR-UHFFFAOYSA-N -1 0 331.412 3.982 20 0 EHADRM O=S(=O)([N-][C@H]1CCCC[C@H]1C(F)(F)F)c1cc2ccccc2o1 ZINC000084936293 1128345475 /nfs/dbraw/zinc/34/54/75/1128345475.db2.gz YNHZCOQIDJWIGD-NEPJUHHUSA-N -1 0 347.358 3.832 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)[N-]S(=O)(=O)CC1CC1 ZINC000073539153 1128395509 /nfs/dbraw/zinc/39/55/09/1128395509.db2.gz XCLWCSYEIGLHCR-CYBMUJFWSA-N -1 0 339.457 3.582 20 0 EHADRM Clc1ccc2c(c1)[C@@H](N=c1[n-]nc(C3CCOCC3)s1)CCC2 ZINC000624668052 1128423482 /nfs/dbraw/zinc/42/34/82/1128423482.db2.gz NUAKRIMEMGHUMO-HNNXBMFYSA-N -1 0 349.887 3.997 20 0 EHADRM O=S(=O)(c1cccc(Cl)c1[O-])N1CC[C@@H](C2CCCCC2)C1 ZINC001212418311 1128481986 /nfs/dbraw/zinc/48/19/86/1128481986.db2.gz URRSLHXIGPAIFM-CYBMUJFWSA-N -1 0 343.876 3.637 20 0 EHADRM CCCOc1cc(C)ccc1NC(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC000055150518 1128506853 /nfs/dbraw/zinc/50/68/53/1128506853.db2.gz IXSHVDCLAOOKJL-INIZCTEOSA-N -1 0 341.407 3.981 20 0 EHADRM CC1(NC(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)CCCC1 ZINC000542730535 1128565189 /nfs/dbraw/zinc/56/51/89/1128565189.db2.gz TYVFVDCJNJOOOG-UHFFFAOYSA-N -1 0 336.848 3.735 20 0 EHADRM Cc1ccc(CCC(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)c(C)c1 ZINC000057752187 1128663919 /nfs/dbraw/zinc/66/39/19/1128663919.db2.gz BJNHZESGJGDQIK-UHFFFAOYSA-N -1 0 337.379 3.630 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)[nH]n2)c1F ZINC000542864226 1128709396 /nfs/dbraw/zinc/70/93/96/1128709396.db2.gz PSNZKUVSGRZCML-UHFFFAOYSA-N -1 0 337.420 3.706 20 0 EHADRM CC1(C)CC(=O)c2cc(NC(=O)c3ccc(O)c(F)c3)ccc2O1 ZINC000672106836 1128738713 /nfs/dbraw/zinc/73/87/13/1128738713.db2.gz SEPNTGFEBODGFK-UHFFFAOYSA-N -1 0 329.327 3.527 20 0 EHADRM Nc1ccc(Cl)cc1Nc1ccc(S(=O)(=O)[O-])cc1Cl ZINC001212439605 1128790927 /nfs/dbraw/zinc/79/09/27/1128790927.db2.gz WINVMSHXOMGMCP-UHFFFAOYSA-N -1 0 333.196 3.566 20 0 EHADRM O=S(=O)([N-]c1ncc(Cc2ccccc2F)s1)c1ccccc1 ZINC000075790494 1128881319 /nfs/dbraw/zinc/88/13/19/1128881319.db2.gz WBTZTQBSAOKBFS-UHFFFAOYSA-N -1 0 348.424 3.674 20 0 EHADRM CC1(C)CCC(C)(NC(=O)c2nn(-c3ccccc3F)cc2[O-])CC1 ZINC001648823059 1120049329 /nfs/dbraw/zinc/04/93/29/1120049329.db2.gz GZQJBVCSDGEBNC-UHFFFAOYSA-N -1 0 345.418 3.806 20 0 EHADRM O=C(N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1)c1c(O)cccc1O ZINC001648849488 1120053661 /nfs/dbraw/zinc/05/36/61/1120053661.db2.gz OVERISWICGOHSF-TZMCWYRMSA-N -1 0 331.799 3.817 20 0 EHADRM C[C@@H](O)[C@@H](NC(=O)c1c([O-])cc(Cl)cc1Cl)c1ccccc1 ZINC001648938700 1120238461 /nfs/dbraw/zinc/23/84/61/1120238461.db2.gz CZSOSUAPSFXKMC-RFAUZJTJSA-N -1 0 340.206 3.551 20 0 EHADRM COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1cccs1 ZINC000006313471 1120313619 /nfs/dbraw/zinc/31/36/19/1120313619.db2.gz SFPPQWARLCPNCA-UHFFFAOYSA-N -1 0 325.455 3.855 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccccc1N1CCCC1 ZINC000186417798 1120459985 /nfs/dbraw/zinc/45/99/85/1120459985.db2.gz WHCLVGNRHBSIAX-UHFFFAOYSA-N -1 0 334.416 3.535 20 0 EHADRM COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1cccc(C(C)C)c1 ZINC000064474878 1128933189 /nfs/dbraw/zinc/93/31/89/1128933189.db2.gz IBQQTRABBRQBNH-UHFFFAOYSA-N -1 0 347.436 3.706 20 0 EHADRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1 ZINC000191780544 1120694506 /nfs/dbraw/zinc/69/45/06/1120694506.db2.gz LTZMPQNSPCCZRA-UHFFFAOYSA-N -1 0 344.358 3.604 20 0 EHADRM C[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1cccc(Cl)c1 ZINC000193911171 1120807874 /nfs/dbraw/zinc/80/78/74/1120807874.db2.gz GNOXNRNMVIUGKI-SSDOTTSWSA-N -1 0 329.705 3.954 20 0 EHADRM Cc1cc(C(=O)[N-]c2c3ccccc3oc2C(=O)c2ccco2)on1 ZINC000194969839 1120873968 /nfs/dbraw/zinc/87/39/68/1120873968.db2.gz UPMRYAWZYMXTLP-UHFFFAOYSA-N -1 0 336.303 3.806 20 0 EHADRM O=C([O-])c1cc(/C=C/c2cnn(CC(F)(F)F)c2)nc2ccccc21 ZINC000477353373 1128947578 /nfs/dbraw/zinc/94/75/78/1128947578.db2.gz OMKQLOCDLQOGKV-AATRIKPKSA-N -1 0 347.296 3.862 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(Cl)c3cccnc23)ccc1F ZINC000914731286 1120966766 /nfs/dbraw/zinc/96/67/66/1120966766.db2.gz ZBHGQZPVPXYAFV-UHFFFAOYSA-N -1 0 344.729 3.978 20 0 EHADRM Cc1ccc(-c2nc(CC(=O)[N-]OCc3ccccc3)cs2)o1 ZINC000914751254 1120974556 /nfs/dbraw/zinc/97/45/56/1120974556.db2.gz RNHBFHCQPKCMFK-UHFFFAOYSA-N -1 0 328.393 3.502 20 0 EHADRM COc1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])c1O ZINC000230872198 1121010950 /nfs/dbraw/zinc/01/09/50/1121010950.db2.gz WKTSPXGHKMVGRD-UHFFFAOYSA-N -1 0 328.151 3.666 20 0 EHADRM CCC(CC)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000762011801 1121055377 /nfs/dbraw/zinc/05/53/77/1121055377.db2.gz FJSNOPUEXPHJAY-CYBMUJFWSA-N -1 0 333.453 3.717 20 0 EHADRM COCCS(=O)(=O)[N-]c1cc(Cl)ccc1Oc1ccccc1 ZINC000303415941 1121144884 /nfs/dbraw/zinc/14/48/84/1121144884.db2.gz BHDUXKQRYZFZPQ-UHFFFAOYSA-N -1 0 341.816 3.520 20 0 EHADRM O=S(=O)(Cc1ccc(Cl)cc1Cl)[N-][C@@H]1CCCC1(F)F ZINC000672430898 1128975458 /nfs/dbraw/zinc/97/54/58/1128975458.db2.gz LCEXTRGFXHYVON-LLVKDONJSA-N -1 0 344.210 3.601 20 0 EHADRM Cc1oc(CN(C)C(=O)CC(C)(C)c2ccccc2)cc1C(=O)[O-] ZINC000262439115 1121289550 /nfs/dbraw/zinc/28/95/50/1121289550.db2.gz FXYSNGDRWRPCKE-UHFFFAOYSA-N -1 0 329.396 3.613 20 0 EHADRM O=C(OCc1ccc(-n2ccnc2)cc1)c1ccc([O-])c(Cl)c1 ZINC000762821493 1121449280 /nfs/dbraw/zinc/44/92/80/1121449280.db2.gz DGTNMDOKAPPLCV-UHFFFAOYSA-N -1 0 328.755 3.588 20 0 EHADRM CCN(Cc1cccc(F)c1)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000236940959 1121468907 /nfs/dbraw/zinc/46/89/07/1121468907.db2.gz QKYVMCQTUXHUJG-UHFFFAOYSA-N -1 0 329.371 3.505 20 0 EHADRM CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000237018568 1121471389 /nfs/dbraw/zinc/47/13/89/1121471389.db2.gz UMYLSNQPQFIPPX-HNNXBMFYSA-N -1 0 331.343 3.628 20 0 EHADRM Cc1ccc(CSCC(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000237757462 1121493561 /nfs/dbraw/zinc/49/35/61/1121493561.db2.gz OHJVGUQYSKNDEC-UHFFFAOYSA-N -1 0 333.384 3.704 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)Cc1c(F)cccc1Cl ZINC000238096051 1121502718 /nfs/dbraw/zinc/50/27/18/1121502718.db2.gz VODHSWKKOBOBEU-UHFFFAOYSA-N -1 0 329.799 3.563 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)/C=C/c2ccccc2OC(F)F)c1 ZINC000238111227 1121502800 /nfs/dbraw/zinc/50/28/00/1121502800.db2.gz YOBFVKXYSMEPBJ-CMDGGOBGSA-N -1 0 347.317 3.567 20 0 EHADRM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc3[n-]c(=S)oc3c2)c1 ZINC000762968351 1121619455 /nfs/dbraw/zinc/61/94/55/1121619455.db2.gz WWZKIKSNZSHIMZ-NSHDSACASA-N -1 0 328.393 3.831 20 0 EHADRM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2cnc(C(C)C)nc2)c1 ZINC000656629321 1129000025 /nfs/dbraw/zinc/00/00/25/1129000025.db2.gz LPAQDWRYRLOCOQ-ZDUSSCGKSA-N -1 0 349.456 3.578 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2coc(Br)c2)c1 ZINC000436643139 1121811301 /nfs/dbraw/zinc/81/13/01/1121811301.db2.gz DFYRNZQIEAMGEC-UHFFFAOYSA-N -1 0 338.157 3.593 20 0 EHADRM COC(=O)Nc1cccc(NC(=O)c2cc(F)c([O-])c(Cl)c2)c1 ZINC000496233848 1122029568 /nfs/dbraw/zinc/02/95/68/1122029568.db2.gz NZJGYNQIGATKGP-UHFFFAOYSA-N -1 0 338.722 3.615 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)Cc1ccc2c(c1)CCCC2)c1cccs1 ZINC000013389686 1129030521 /nfs/dbraw/zinc/03/05/21/1129030521.db2.gz IEEQURAEJBSCAT-MRXNPFEDSA-N -1 0 343.448 3.502 20 0 EHADRM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000328247627 1122129739 /nfs/dbraw/zinc/12/97/39/1122129739.db2.gz BHJZICUIAKFQJJ-GFIVTLFCSA-N -1 0 341.451 3.631 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2[N-]C(=O)C(F)(F)F ZINC000496982163 1122237345 /nfs/dbraw/zinc/23/73/45/1122237345.db2.gz AGUNKTIVCLGOTO-LBPRGKRZSA-N -1 0 344.333 3.699 20 0 EHADRM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000125903719 1122356420 /nfs/dbraw/zinc/35/64/20/1122356420.db2.gz TXLPIYSYJOILIE-JTQLQIEISA-N -1 0 343.807 3.987 20 0 EHADRM Cc1ccc([C@@H](C)NCc2cc(=O)oc3cc([O-])c(Cl)cc23)o1 ZINC000917181141 1122545733 /nfs/dbraw/zinc/54/57/33/1122545733.db2.gz PGGLYKUXWLIRNW-SNVBAGLBSA-N -1 0 333.771 3.904 20 0 EHADRM O=C([O-])c1cnc(C=Cc2ccc(-c3cccs3)cc2F)[nH]c1=O ZINC000670369999 1122579955 /nfs/dbraw/zinc/57/99/55/1122579955.db2.gz PSXZNMGJKVBLIE-AATRIKPKSA-N -1 0 342.351 3.918 20 0 EHADRM CC(C)c1ccc(C(=O)N(CCC(=O)[O-])Cc2ccccc2)cc1 ZINC000013428981 1129073483 /nfs/dbraw/zinc/07/34/83/1129073483.db2.gz SXARPCQPONRIRQ-UHFFFAOYSA-N -1 0 325.408 3.927 20 0 EHADRM CCC[C@@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccc(F)cc1F ZINC000262695313 1122729287 /nfs/dbraw/zinc/72/92/87/1122729287.db2.gz GBQDANMHQLCZPJ-XHBSWPGZSA-N -1 0 339.382 3.813 20 0 EHADRM C[C@@H]1CN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC[C@@H]1c1ccccc1 ZINC000262708356 1122742009 /nfs/dbraw/zinc/74/20/09/1122742009.db2.gz KNWQPUFTWXDGSB-DDBAPUKQSA-N -1 0 329.440 3.530 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c(C)c1 ZINC000170708433 1122787808 /nfs/dbraw/zinc/78/78/08/1122787808.db2.gz WSUJPLZIEQEACT-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CCOc1cc(Cl)ccc1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262727605 1122792250 /nfs/dbraw/zinc/79/22/50/1122792250.db2.gz TYYVMMTZYOFMFF-XYPYZODXSA-N -1 0 325.792 3.568 20 0 EHADRM CCCCc1nc2cc(NC(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)ccc2[nH]1 ZINC000262750677 1122827355 /nfs/dbraw/zinc/82/73/55/1122827355.db2.gz YAZLQLHIWCEVJM-JOCQHMNTSA-N -1 0 343.427 3.735 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc3c(n2)CCCC3=O)c1 ZINC000556278599 1122915221 /nfs/dbraw/zinc/91/52/21/1122915221.db2.gz QJELSZZDVIYCFT-UHFFFAOYSA-N -1 0 344.436 3.525 20 0 EHADRM CC(C)c1nc([N-]S(=O)(=O)c2cc(C(C)C)ccc2Cl)no1 ZINC000556302245 1122921150 /nfs/dbraw/zinc/92/11/50/1122921150.db2.gz AKHWQYVFRFNBDY-UHFFFAOYSA-N -1 0 343.836 3.771 20 0 EHADRM Cc1ccc(F)cc1[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000556346991 1122938554 /nfs/dbraw/zinc/93/85/54/1122938554.db2.gz NJDQWNLLUXUPAI-UHFFFAOYSA-N -1 0 335.734 3.867 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000556708576 1123089728 /nfs/dbraw/zinc/08/97/28/1123089728.db2.gz JVPGCTZWQBMECJ-UHFFFAOYSA-N -1 0 332.322 3.510 20 0 EHADRM C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2Br)CC[C@@H]1C(=O)[O-] ZINC000311381179 1129098927 /nfs/dbraw/zinc/09/89/27/1129098927.db2.gz NBCUUCRFDKTIBJ-SKDRFNHKSA-N -1 0 346.652 3.645 20 0 EHADRM COc1cc(O)cc(NC(=O)c2c([O-])cc(Cl)cc2Cl)c1 ZINC000556823858 1123136886 /nfs/dbraw/zinc/13/68/86/1123136886.db2.gz GLZMMRGSFUSIIN-UHFFFAOYSA-N -1 0 328.151 3.666 20 0 EHADRM CCCC1CCC(NC(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)CC1 ZINC000073045201 1123184113 /nfs/dbraw/zinc/18/41/13/1123184113.db2.gz POYGQCXKAGTCEB-UHFFFAOYSA-N -1 0 341.455 3.563 20 0 EHADRM Cc1cc2cccnc2c([N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000132811336 1123304003 /nfs/dbraw/zinc/30/40/03/1123304003.db2.gz IZBVZODNRWYIOY-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)COC2)c1c(Cl)cccc1Cl ZINC000132884743 1123312910 /nfs/dbraw/zinc/31/29/10/1123312910.db2.gz BZLPDYCRWPNCLA-UHFFFAOYSA-N -1 0 344.219 3.824 20 0 EHADRM CCC/C(C)=C\C(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000920325190 1123357613 /nfs/dbraw/zinc/35/76/13/1123357613.db2.gz VVBDMCLYVXUDCZ-ALCCZGGFSA-N -1 0 342.269 3.606 20 0 EHADRM Cc1c(F)cccc1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000075082727 1123361136 /nfs/dbraw/zinc/36/11/36/1123361136.db2.gz YJVLANHUEXFWQJ-UHFFFAOYSA-N -1 0 331.315 3.536 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000920797179 1123424202 /nfs/dbraw/zinc/42/42/02/1123424202.db2.gz SFNPSHTXVBXXOI-GHMZBOCLSA-N -1 0 347.839 3.500 20 0 EHADRM CCc1ccc(CC(=O)N(CCCC(=O)[O-])Cc2ccccc2)cc1 ZINC000237154071 1123496517 /nfs/dbraw/zinc/49/65/17/1123496517.db2.gz GQDVNWHGGFSHBE-UHFFFAOYSA-N -1 0 339.435 3.685 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)c1cc(-c2ccccc2)ccc1Cl ZINC000237420499 1123517814 /nfs/dbraw/zinc/51/78/14/1123517814.db2.gz KZNZVOXASFTNND-GFCCVEGCSA-N -1 0 331.799 3.990 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)oc1C ZINC000237750923 1123535987 /nfs/dbraw/zinc/53/59/87/1123535987.db2.gz CCZVVGDOLFXKCN-ZDUSSCGKSA-N -1 0 339.750 3.635 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1occ2c1CCOC2 ZINC000354392111 1123551035 /nfs/dbraw/zinc/55/10/35/1123551035.db2.gz QDQMAYITYIAJKG-UHFFFAOYSA-N -1 0 328.151 3.617 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCC2(c3cccc(Cl)c3)CCCC2)o1 ZINC000238010450 1123555307 /nfs/dbraw/zinc/55/53/07/1123555307.db2.gz NOOYAALYQPKGCS-UHFFFAOYSA-N -1 0 347.798 3.873 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)c1 ZINC000238150060 1123567275 /nfs/dbraw/zinc/56/72/75/1123567275.db2.gz DOCNXIWGUMUIMC-CHWSQXEVSA-N -1 0 333.746 3.920 20 0 EHADRM O=C([O-])c1cccc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2Cl)c1 ZINC000238223402 1123571201 /nfs/dbraw/zinc/57/12/01/1123571201.db2.gz HSEIESMBXKXZBK-NWDGAFQWSA-N -1 0 333.746 3.920 20 0 EHADRM Cc1ccc(O)c([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000079720601 1123715521 /nfs/dbraw/zinc/71/55/21/1123715521.db2.gz QLBKIYGTTLOEQX-UHFFFAOYSA-N -1 0 331.315 3.520 20 0 EHADRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2F)c(C)s1 ZINC000064696274 1123717868 /nfs/dbraw/zinc/71/78/68/1123717868.db2.gz QISNMMRJTUEWHD-UHFFFAOYSA-N -1 0 347.820 3.851 20 0 EHADRM O=C(Nc1c(=O)[nH][n-]c1-c1ccccc1)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000615280474 1123770692 /nfs/dbraw/zinc/77/06/92/1123770692.db2.gz FBZLMFNDLFSLKY-GHMZBOCLSA-N -1 0 339.317 3.699 20 0 EHADRM CC(C)=C[C@H]1[C@@H](C(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)C1(C)C ZINC000615280615 1123771133 /nfs/dbraw/zinc/77/11/33/1123771133.db2.gz GUUOTTDKXFGQFY-KBPBESRZSA-N -1 0 325.412 3.959 20 0 EHADRM O=C(CSc1n[n-]c(=S)s1)Nc1cccc2ccccc21 ZINC000080501605 1123786389 /nfs/dbraw/zinc/78/63/89/1123786389.db2.gz UFYOOFKXOBSCLZ-UHFFFAOYSA-N -1 0 333.463 3.711 20 0 EHADRM CCc1n[n-]c(=NC(=O)N[C@H](c2cccs2)C(CC)CC)s1 ZINC000615472006 1123810058 /nfs/dbraw/zinc/81/00/58/1123810058.db2.gz MTSDUIOTCCBEHP-ZDUSSCGKSA-N -1 0 338.502 3.883 20 0 EHADRM Cc1ccccc1CCC(=O)N[C@@H](CC(=O)[O-])c1ccccc1C ZINC000237721109 1123826876 /nfs/dbraw/zinc/82/68/76/1123826876.db2.gz ZQKSMLYILCULHD-SFHVURJKSA-N -1 0 325.408 3.568 20 0 EHADRM O=C(C=Cc1ccc(Cl)cc1)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000068338534 1123923863 /nfs/dbraw/zinc/92/38/63/1123923863.db2.gz IPKYDFNAUNDNMD-RMKNXTFCSA-N -1 0 341.754 3.748 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)C1(c2ccc(F)cc2)CCC1 ZINC000238094280 1123973645 /nfs/dbraw/zinc/97/36/45/1123973645.db2.gz UPZIZIOGOQGCEI-UHFFFAOYSA-N -1 0 335.419 3.789 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)c1cccc(C(F)(F)F)c1 ZINC000238106408 1123979739 /nfs/dbraw/zinc/97/97/39/1123979739.db2.gz UXTOJHDEEHDBOF-UHFFFAOYSA-N -1 0 331.334 3.860 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3C[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000616726237 1124026836 /nfs/dbraw/zinc/02/68/36/1124026836.db2.gz SFFDHXPPXRLRCB-RDJZCZTQSA-N -1 0 339.439 3.716 20 0 EHADRM Cc1cccc(C)c1[C@@H]1CCCN1C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000617178876 1124095066 /nfs/dbraw/zinc/09/50/66/1124095066.db2.gz SXTJKMBQXFDSJS-AWEZNQCLSA-N -1 0 337.379 3.523 20 0 EHADRM Cn1ccc2ccc(NC(=O)c3cc(O)c4ccccc4c3)cc2c1=O ZINC000357141298 1129177329 /nfs/dbraw/zinc/17/73/29/1129177329.db2.gz WHHMDYHDQUFCOL-UHFFFAOYSA-N -1 0 344.370 3.650 20 0 EHADRM CCCCC[C@@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)C(C)(C)C ZINC000734552899 1131251121 /nfs/dbraw/zinc/25/11/21/1131251121.db2.gz WLHSJGRSABFVEH-OAHLLOKOSA-N -1 0 345.443 3.755 20 0 EHADRM C[C@H](CCC1CCCCC1)NC(=O)c1n[n-]c2ccccc2c1=O ZINC000734552917 1131251401 /nfs/dbraw/zinc/25/14/01/1131251401.db2.gz XJLUSTKAQVFXQJ-CYBMUJFWSA-N -1 0 327.428 3.814 20 0 EHADRM C[C@H](C#N)Oc1ccccc1NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000181130247 1124537022 /nfs/dbraw/zinc/53/70/22/1124537022.db2.gz LLOATHFSQBDAHF-SNVBAGLBSA-N -1 0 347.758 3.857 20 0 EHADRM CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000084920483 1124604747 /nfs/dbraw/zinc/60/47/47/1124604747.db2.gz XDDZSMAINJXCCK-UHFFFAOYSA-N -1 0 344.392 3.500 20 0 EHADRM CCOC(=O)c1nc(NC(=O)c2ccc(C3CCCCC3)cc2)c[nH]1 ZINC000617872255 1124816991 /nfs/dbraw/zinc/81/69/91/1124816991.db2.gz OYNOZUYLIRPPMY-UHFFFAOYSA-N -1 0 341.411 3.886 20 0 EHADRM COc1ccc([C@H]2CCCN2C(=O)c2c([O-])cccc2F)cc1F ZINC000618389191 1125065685 /nfs/dbraw/zinc/06/56/85/1125065685.db2.gz KYODJJJRHMZHOC-CQSZACIVSA-N -1 0 333.334 3.656 20 0 EHADRM CC(C)c1n[n-]c(=NCCc2c[nH]c3ccc(Br)cc23)o1 ZINC000450439711 1125122465 /nfs/dbraw/zinc/12/24/65/1125122465.db2.gz OFHNJFAHEBWBSY-UHFFFAOYSA-N -1 0 349.232 3.513 20 0 EHADRM COc1cccc([C@]2(C)CCN(C(=O)c3ccc([O-])c(Cl)c3)C2)c1 ZINC000618739911 1125178911 /nfs/dbraw/zinc/17/89/11/1125178911.db2.gz CTLQABNKWKYIFO-LJQANCHMSA-N -1 0 345.826 3.858 20 0 EHADRM CC[C@@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000182582090 1125333859 /nfs/dbraw/zinc/33/38/59/1125333859.db2.gz AFRAWRZMOXHKGC-RNFRBKRXSA-N -1 0 344.285 3.542 20 0 EHADRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cccc(Cl)n1 ZINC000182583734 1125338647 /nfs/dbraw/zinc/33/86/47/1125338647.db2.gz VWFZTSJBNJYKOG-GFCCVEGCSA-N -1 0 337.766 3.730 20 0 EHADRM CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(C2CC2)cc1 ZINC000619668189 1125383060 /nfs/dbraw/zinc/38/30/60/1125383060.db2.gz GZFITXBMOPOMMF-UHFFFAOYSA-N -1 0 345.420 3.542 20 0 EHADRM C[C@H]1CN(C(=O)c2sccc2-c2ccccc2)CC[C@H]1C(=O)[O-] ZINC000261887206 1125388345 /nfs/dbraw/zinc/38/83/45/1125388345.db2.gz NHLMEEOBXDRWGJ-GXTWGEPZSA-N -1 0 329.421 3.598 20 0 EHADRM Cc1ccc2cccc([N-]S(=O)(=O)c3cc(F)ccc3F)c2n1 ZINC000066587608 1129189870 /nfs/dbraw/zinc/18/98/70/1129189870.db2.gz NVXMNXDNDDGRGA-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM O=C([O-])c1cnc(C=Cc2ccc(-c3ccccc3Cl)o2)[nH]c1=O ZINC000670370106 1129208824 /nfs/dbraw/zinc/20/88/24/1129208824.db2.gz XVOKIDHNMRIYNI-VURMDHGXSA-N -1 0 342.738 3.964 20 0 EHADRM CCCOc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2F)c(C)c1 ZINC000478837042 1129279760 /nfs/dbraw/zinc/27/97/60/1129279760.db2.gz JMEVRALSKKANRG-UHFFFAOYSA-N -1 0 331.343 3.873 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cc(C)n([C@H](C)C3CC3)n2)cc1 ZINC000543164943 1129304201 /nfs/dbraw/zinc/30/42/01/1129304201.db2.gz FIJDISFOFGHCNL-CYBMUJFWSA-N -1 0 333.457 3.526 20 0 EHADRM CCCc1ccccc1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000673462128 1129436014 /nfs/dbraw/zinc/43/60/14/1129436014.db2.gz PLFPBFOSLFRZNP-UHFFFAOYSA-N -1 0 344.358 3.854 20 0 EHADRM O=C([O-])c1cccc(N2N=C(c3ccc(Cl)cc3)CCC2=O)c1 ZINC000013060429 1129496231 /nfs/dbraw/zinc/49/62/31/1129496231.db2.gz QBZZRVUCSXDNAD-UHFFFAOYSA-N -1 0 328.755 3.569 20 0 EHADRM CC[C@@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(OC)cc1)c1ccccc1 ZINC000013187522 1129509619 /nfs/dbraw/zinc/50/96/19/1129509619.db2.gz OCGGGILZDWSEHZ-QZTJIDSGSA-N -1 0 341.407 3.521 20 0 EHADRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)cc1)c1ccccc1 ZINC000013187519 1129509627 /nfs/dbraw/zinc/50/96/27/1129509627.db2.gz OCGGGILZDWSEHZ-ROUUACIJSA-N -1 0 341.407 3.521 20 0 EHADRM Cc1ccc(OCCCNC(=O)c2ccc3[n-]c(=S)oc3c2)cc1 ZINC000735857496 1131386550 /nfs/dbraw/zinc/38/65/50/1131386550.db2.gz SSULWDJAKPJQRJ-UHFFFAOYSA-N -1 0 342.420 3.624 20 0 EHADRM O=C([O-])c1ccc2nc(/C=C/c3cnn(CC(F)(F)F)c3)ccc2c1 ZINC000361500037 1129726085 /nfs/dbraw/zinc/72/60/85/1129726085.db2.gz YWQQDZODBSLBEI-DAFODLJHSA-N -1 0 347.296 3.862 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)c2oc(C(F)F)cc2C)s1 ZINC000624515178 1129750128 /nfs/dbraw/zinc/75/01/28/1129750128.db2.gz HDRUOCIYOHGHSY-UHFFFAOYSA-N -1 0 329.372 3.784 20 0 EHADRM O=C(N[N-]C(=O)c1cc2ccccc2o1)Nc1cc(F)cc(Cl)c1 ZINC000186764809 1129807426 /nfs/dbraw/zinc/80/74/26/1129807426.db2.gz IFBSSSTYPKSUCN-UHFFFAOYSA-N -1 0 347.733 3.692 20 0 EHADRM Cc1n[n-]c(=NCc2cn(-c3ccccc3Cl)nc2C(C)(C)C)o1 ZINC000347812509 1129861507 /nfs/dbraw/zinc/86/15/07/1129861507.db2.gz JRYJCWPOMNWXTQ-UHFFFAOYSA-N -1 0 345.834 3.549 20 0 EHADRM CCC(CC)c1n[n-]c(=NCc2c[nH]nc2-c2ccccc2)s1 ZINC000347819279 1129878153 /nfs/dbraw/zinc/87/81/53/1129878153.db2.gz WGEPUWVVNTYYIY-UHFFFAOYSA-N -1 0 327.457 3.866 20 0 EHADRM Cc1nc(Br)ccc1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212511260 1129878773 /nfs/dbraw/zinc/87/87/73/1129878773.db2.gz ZPRKOHKQCZBOKQ-UHFFFAOYSA-N -1 0 343.127 3.873 20 0 EHADRM CCCc1n[n-]c(=NCc2ccc(OC)c(OCC(C)C)c2)s1 ZINC000347826449 1129892944 /nfs/dbraw/zinc/89/29/44/1129892944.db2.gz UKHODJINNOGQQJ-UHFFFAOYSA-N -1 0 335.473 3.568 20 0 EHADRM CCC(F)(F)C(C)(C)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000625496128 1129904477 /nfs/dbraw/zinc/90/44/77/1129904477.db2.gz RKUVNEKHNRNTET-UHFFFAOYSA-N -1 0 331.837 3.751 20 0 EHADRM Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)c2c([O-])cc(F)cc2F)cc1 ZINC000673917306 1129906598 /nfs/dbraw/zinc/90/65/98/1129906598.db2.gz BSQCZUXTBDERGC-YJBOKZPZSA-N -1 0 347.361 3.629 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(O)cc2Br)c(F)c1F ZINC001212515398 1129929014 /nfs/dbraw/zinc/92/90/14/1129929014.db2.gz VSJKUURZTTYMFW-UHFFFAOYSA-N -1 0 344.111 3.875 20 0 EHADRM c1cc(Cc2n[n-]c(=NCc3cccc(-c4ccncc4)c3)o2)cs1 ZINC000347876249 1129961503 /nfs/dbraw/zinc/96/15/03/1129961503.db2.gz JXFTUYLZVAAGSW-UHFFFAOYSA-N -1 0 348.431 3.818 20 0 EHADRM CSc1cccc(S(=O)(=O)[N-]c2cc(CC(C)(C)C)[nH]n2)c1 ZINC000509206152 1129974428 /nfs/dbraw/zinc/97/44/28/1129974428.db2.gz UFKNNVXEKZURCS-UHFFFAOYSA-N -1 0 339.486 3.521 20 0 EHADRM CC(C)Oc1ccccc1CN=c1[n-]nc(Cc2ccsc2)o1 ZINC000347889001 1129984816 /nfs/dbraw/zinc/98/48/16/1129984816.db2.gz JBWRZLHYZWSRLJ-UHFFFAOYSA-N -1 0 329.425 3.543 20 0 EHADRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccnn1[C@@H](C)C1CC1 ZINC000171341908 1130047328 /nfs/dbraw/zinc/04/73/28/1130047328.db2.gz CMKOQZCUCDQLFH-NSHDSACASA-N -1 0 339.848 3.617 20 0 EHADRM O=C(c1c([O-])cc(F)cc1F)N1CCCC[C@H]1Cc1ccccc1 ZINC000674744908 1130185654 /nfs/dbraw/zinc/18/56/54/1130185654.db2.gz OHIPMYWDBXNUEC-HNNXBMFYSA-N -1 0 331.362 3.908 20 0 EHADRM CC(C)(CNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])Cc1cccc(Cl)c1 ZINC000674901300 1130218539 /nfs/dbraw/zinc/21/85/39/1130218539.db2.gz GTOPQKHJXKYJFY-CVEARBPZSA-N -1 0 349.858 3.692 20 0 EHADRM Cc1ccccc1[C@H]1CN(C(=O)c2c([O-])cc(F)cc2F)[C@@H](C)CO1 ZINC000174345382 1130353312 /nfs/dbraw/zinc/35/33/12/1130353312.db2.gz VOMJMOLNWBMQMR-YVEFUNNKSA-N -1 0 347.361 3.581 20 0 EHADRM Cc1ccnc(F)c1Nc1ccc2c(cccc2S(=O)(=O)[O-])c1 ZINC001212558299 1130383475 /nfs/dbraw/zinc/38/34/75/1130383475.db2.gz BBKRKOUJQYCISV-UHFFFAOYSA-N -1 0 332.356 3.673 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@@H]3CCC(F)(F)C3)n2)c1 ZINC000675708681 1130455865 /nfs/dbraw/zinc/45/58/65/1130455865.db2.gz FQQLHOLYYZPIJW-CYBMUJFWSA-N -1 0 349.381 3.619 20 0 EHADRM C[C@@H](C(=O)N(CCC(=O)[O-])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000675969841 1130511917 /nfs/dbraw/zinc/51/19/17/1130511917.db2.gz SDMVJOUQMSVERC-SECBINFHSA-N -1 0 330.211 3.563 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(N(C)C)c(Cl)c2)c1 ZINC000731783585 1130846262 /nfs/dbraw/zinc/84/62/62/1130846262.db2.gz QYJWORKHGQWQCP-UHFFFAOYSA-N -1 0 342.823 3.654 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1O ZINC000175975131 1130846898 /nfs/dbraw/zinc/84/68/98/1130846898.db2.gz YEUAIOTUZDPYNO-UHFFFAOYSA-N -1 0 331.315 3.520 20 0 EHADRM CC(C)CCS(=O)(=O)[N-]C(=O)c1sccc1-c1ccccc1 ZINC000732512732 1130929512 /nfs/dbraw/zinc/92/95/12/1130929512.db2.gz INELENGUCXBIMC-UHFFFAOYSA-N -1 0 337.466 3.521 20 0 EHADRM CCC(CC)CS(=O)(=O)[N-]C(=O)CCc1ccc(C(C)C)cc1 ZINC000733060369 1130990250 /nfs/dbraw/zinc/99/02/50/1130990250.db2.gz OUWPQRBPUKENCP-UHFFFAOYSA-N -1 0 339.501 3.625 20 0 EHADRM C[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000734080153 1131194762 /nfs/dbraw/zinc/19/47/62/1131194762.db2.gz LKACMVDGFJNMDV-AWEZNQCLSA-N -1 0 345.464 3.861 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1cccn1Cc1ccncc1 ZINC000736682637 1131430515 /nfs/dbraw/zinc/43/05/15/1131430515.db2.gz MRCFECUISVPEOP-UHFFFAOYSA-N -1 0 327.771 3.543 20 0 EHADRM O=C(Nc1ccc(NC(=O)c2c([O-])cccc2Cl)cc1)NC1CC1 ZINC000736669082 1131430586 /nfs/dbraw/zinc/43/05/86/1131430586.db2.gz UFFMDBPAXGSJTA-UHFFFAOYSA-N -1 0 345.786 3.582 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)[N-]S(=O)(=O)c2cccc(C)c2)cc1 ZINC000739138235 1131493101 /nfs/dbraw/zinc/49/31/01/1131493101.db2.gz GRIPYALXMYMHHJ-OAHLLOKOSA-N -1 0 345.464 3.556 20 0 EHADRM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cccc2ccccc21 ZINC000737352039 1131511313 /nfs/dbraw/zinc/51/13/13/1131511313.db2.gz AKDMMXPVGJRLGO-CQSZACIVSA-N -1 0 339.416 3.661 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)cc1 ZINC000179546190 1131560543 /nfs/dbraw/zinc/56/05/43/1131560543.db2.gz VOISBMNFEQZPOA-UHFFFAOYSA-N -1 0 348.371 3.623 20 0 EHADRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@H](CC(C)C)c1ccccc1 ZINC000741118451 1131578676 /nfs/dbraw/zinc/57/86/76/1131578676.db2.gz IWYQNYLUJDWMDX-DOTOQJQBSA-N -1 0 339.501 3.699 20 0 EHADRM CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1C(C)(C)C ZINC000742025283 1131684200 /nfs/dbraw/zinc/68/42/00/1131684200.db2.gz LNTINHPBIRCCHX-UHFFFAOYSA-N -1 0 331.437 3.988 20 0 EHADRM CC(F)(F)c1ccc(Nc2nc[n-]c(=O)c2Br)cc1 ZINC001212675386 1131804894 /nfs/dbraw/zinc/80/48/94/1131804894.db2.gz VGMZAXQERDQZFS-UHFFFAOYSA-N -1 0 330.132 3.800 20 0 EHADRM CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000744005205 1132007874 /nfs/dbraw/zinc/00/78/74/1132007874.db2.gz COTIVPASQCYPIF-HNNXBMFYSA-N -1 0 325.474 3.715 20 0 EHADRM COc1ccc(Nc2cccc(C(F)(F)F)c2)c(S(=O)(=O)[O-])c1 ZINC001173825001 1132160413 /nfs/dbraw/zinc/16/04/13/1132160413.db2.gz GLVVWSSQSKNBAB-UHFFFAOYSA-N -1 0 347.314 3.704 20 0 EHADRM O=S(=O)([O-])c1cc(O)c(NC=Cc2ccccc2)c2ccccc21 ZINC001173874585 1132160725 /nfs/dbraw/zinc/16/07/25/1132160725.db2.gz QGTRXLMTTXRTLW-ZHACJKMWSA-N -1 0 341.388 3.875 20 0 EHADRM COc1cccc(Nc2ccc3ccccc3c2S(=O)(=O)[O-])c1 ZINC001173827176 1132160887 /nfs/dbraw/zinc/16/08/87/1132160887.db2.gz KXTGQBFZBJHSCY-UHFFFAOYSA-N -1 0 329.377 3.839 20 0 EHADRM COc1ccc(C)cc1Nc1cc(Cl)c(C)cc1S(=O)(=O)[O-] ZINC001173987927 1132195820 /nfs/dbraw/zinc/19/58/20/1132195820.db2.gz OSCHKJNRYZGIRY-UHFFFAOYSA-N -1 0 341.816 3.956 20 0 EHADRM CNC(=O)c1cccc(Nc2ccc(Br)cc2[S-])c1 ZINC001174143785 1132252916 /nfs/dbraw/zinc/25/29/16/1132252916.db2.gz ZLNWSALVGCHZAN-UHFFFAOYSA-N -1 0 337.242 3.841 20 0 EHADRM O=C(c1ccccc1)c1ccc(Nc2cc(=O)[n-]c(Cl)n2)cc1 ZINC001174222438 1132290411 /nfs/dbraw/zinc/29/04/11/1132290411.db2.gz PPGRKASLQZZSRJ-UHFFFAOYSA-N -1 0 325.755 3.810 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2cccc(N3CCCCC3)c2)cc1 ZINC001174304351 1132311509 /nfs/dbraw/zinc/31/15/09/1132311509.db2.gz ATKAAQUETKBHRA-UHFFFAOYSA-N -1 0 332.425 3.667 20 0 EHADRM O=S(=O)([N-]c1cc(C(F)(F)F)ccn1)c1ccc(Cl)s1 ZINC000182946478 1132311742 /nfs/dbraw/zinc/31/17/42/1132311742.db2.gz GMVFTDVROBBZOX-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM CC(C)(C)OC(=O)N1CCC(=Nc2c([O-])cc(F)cc2F)CC1 ZINC001174441851 1132359279 /nfs/dbraw/zinc/35/92/79/1132359279.db2.gz RJAIKYBZUOAFMZ-UHFFFAOYSA-N -1 0 326.343 3.607 20 0 EHADRM Cc1cc(C)c(S(C)(=O)=O)cc1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174496729 1132372260 /nfs/dbraw/zinc/37/22/60/1132372260.db2.gz QVVGONYTWADVLP-BQYQJAHWSA-N -1 0 345.420 3.548 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)Oc3ccc(Cl)cc3C)cc2=O)cc1 ZINC000746105283 1132373970 /nfs/dbraw/zinc/37/39/70/1132373970.db2.gz HEYXUCQNEDWBFH-UHFFFAOYSA-N -1 0 342.782 3.655 20 0 EHADRM Cc1sccc1Nc1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1 ZINC001174462158 1132376073 /nfs/dbraw/zinc/37/60/73/1132376073.db2.gz RCJAXNBVRRELJE-UHFFFAOYSA-N -1 0 335.406 3.906 20 0 EHADRM O=C(N[C@@H]1CCc2ccc(F)cc21)c1ccc2[n-]c(=S)oc2c1 ZINC000746229038 1132393816 /nfs/dbraw/zinc/39/38/16/1132393816.db2.gz GQYACUFCJSIXKC-CYBMUJFWSA-N -1 0 328.368 3.673 20 0 EHADRM Cc1cc(O)ccc1Nc1ccc(S(=O)(=O)[O-])c2ccccc12 ZINC001174564654 1132416061 /nfs/dbraw/zinc/41/60/61/1132416061.db2.gz UBGPDLXAUKOZBD-UHFFFAOYSA-N -1 0 329.377 3.844 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cnc(C(F)(F)F)cc1C ZINC001174670598 1132432267 /nfs/dbraw/zinc/43/22/67/1132432267.db2.gz MNIXJGCUCQXDKQ-UHFFFAOYSA-N -1 0 326.274 3.859 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1c(Cl)nc(C)nc1Cl ZINC001174673791 1132432881 /nfs/dbraw/zinc/43/28/81/1132432881.db2.gz ORXKIZKQDIADNK-UHFFFAOYSA-N -1 0 328.155 3.542 20 0 EHADRM COc1ccc(-n2cccc2)c(Nc2ccc(C(=O)[O-])cc2OC)c1 ZINC001174677850 1132434042 /nfs/dbraw/zinc/43/40/42/1132434042.db2.gz SLTWNYRRHLKINI-UHFFFAOYSA-N -1 0 338.363 3.936 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cc(N)cc(C(F)(F)F)c1 ZINC001174677573 1132434112 /nfs/dbraw/zinc/43/41/12/1132434112.db2.gz NBPAGVQNCJKSJT-UHFFFAOYSA-N -1 0 326.274 3.738 20 0 EHADRM COc1cc(Nc2nc(Cl)c(Cl)nc2Cl)ccc1C(=O)[O-] ZINC001174683506 1132436071 /nfs/dbraw/zinc/43/60/71/1132436071.db2.gz NKLGITAJRMWQBU-UHFFFAOYSA-N -1 0 348.573 3.887 20 0 EHADRM Cc1cc(-n2cccn2)ccc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000191461334 1132461785 /nfs/dbraw/zinc/46/17/85/1132461785.db2.gz OZABNTVIXLRSQE-UHFFFAOYSA-N -1 0 347.296 3.556 20 0 EHADRM COc1ccccc1-c1cc(Nc2ccc(C(=O)[O-])s2)n(C)n1 ZINC001174805579 1132477702 /nfs/dbraw/zinc/47/77/02/1132477702.db2.gz GSUIISJOFRJHIY-UHFFFAOYSA-N -1 0 329.381 3.599 20 0 EHADRM O=C([O-])c1ccc(Nc2cn3c(cccc3Br)n2)s1 ZINC001174807275 1132478777 /nfs/dbraw/zinc/47/87/77/1132478777.db2.gz JUWXQXXFXMUQGG-UHFFFAOYSA-N -1 0 338.186 3.600 20 0 EHADRM CCc1ccccc1C(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000193169731 1132479607 /nfs/dbraw/zinc/47/96/07/1132479607.db2.gz DACBRXPDUFAEGS-MRXNPFEDSA-N -1 0 349.789 3.987 20 0 EHADRM Cc1ccc(-c2cc(C(=O)Nc3ccc(C=CC(=O)[O-])cc3)n[nH]2)cc1 ZINC000746352836 1132487830 /nfs/dbraw/zinc/48/78/30/1132487830.db2.gz WVBMBZAQMUOGRK-WDZFZDKYSA-N -1 0 347.374 3.735 20 0 EHADRM Cc1cc(Nc2ccc(CC(=O)[O-])cc2)n(-c2cccc(F)c2)n1 ZINC001174951483 1132516684 /nfs/dbraw/zinc/51/66/84/1132516684.db2.gz CPEPTPLDEWDNHA-UHFFFAOYSA-N -1 0 325.343 3.691 20 0 EHADRM Cc1cc(Nc2ccc(CC(=O)[O-])cc2)n(-c2ccccc2F)n1 ZINC001174952439 1132516940 /nfs/dbraw/zinc/51/69/40/1132516940.db2.gz ZMUYLCISBDJYOX-UHFFFAOYSA-N -1 0 325.343 3.691 20 0 EHADRM COCCCOc1ccc(Nc2ccc(CC(=O)[O-])cc2)cc1F ZINC001174953886 1132517672 /nfs/dbraw/zinc/51/76/72/1132517672.db2.gz RUGPFJJJBAVIAN-UHFFFAOYSA-N -1 0 333.359 3.612 20 0 EHADRM Cc1cc(Nc2cc(C(=O)[O-])ccc2C)n(C(=O)OC(C)(C)C)n1 ZINC001174982102 1132535069 /nfs/dbraw/zinc/53/50/69/1132535069.db2.gz VGELQGVHTXVMGN-UHFFFAOYSA-N -1 0 331.372 3.725 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1ccn2c(Br)cnc2c1 ZINC001174983253 1132535143 /nfs/dbraw/zinc/53/51/43/1132535143.db2.gz JAVDDHORLSGCJJ-UHFFFAOYSA-N -1 0 346.184 3.847 20 0 EHADRM CCN(CCO)c1ccc(Nc2cc(C(=O)[O-])ccc2C)c(C)c1 ZINC001174982838 1132535564 /nfs/dbraw/zinc/53/55/64/1132535564.db2.gz XHRJLLNJRKOTDQ-UHFFFAOYSA-N -1 0 328.412 3.564 20 0 EHADRM CC(C)c1ccsc1C(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000746453455 1132538339 /nfs/dbraw/zinc/53/83/39/1132538339.db2.gz NJRSCTFYZPKSOK-UHFFFAOYSA-N -1 0 329.487 3.511 20 0 EHADRM CCOc1cc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)ccc1F ZINC001175052981 1132551561 /nfs/dbraw/zinc/55/15/61/1132551561.db2.gz RTQSMGHTVVLHMN-UHFFFAOYSA-N -1 0 345.779 3.868 20 0 EHADRM CCOc1cc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])ccc1F ZINC001175053574 1132551655 /nfs/dbraw/zinc/55/16/55/1132551655.db2.gz FWLQGSZIYHPFQL-UHFFFAOYSA-N -1 0 345.779 3.868 20 0 EHADRM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)C2CCN(C(=O)[O-])CC2)cc1 ZINC000738266118 1132552858 /nfs/dbraw/zinc/55/28/58/1132552858.db2.gz UBVXUWQXHLGYDY-MAUKXSAKSA-N -1 0 344.455 3.685 20 0 EHADRM CCOc1cccc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)c1 ZINC001175093821 1132566082 /nfs/dbraw/zinc/56/60/82/1132566082.db2.gz IZWYROSWOYYUGX-UHFFFAOYSA-N -1 0 327.789 3.729 20 0 EHADRM COC(=O)c1cc(Nc2ccc(C(=O)[O-])c(F)c2)c(Cl)s1 ZINC001175154728 1132568795 /nfs/dbraw/zinc/56/87/95/1132568795.db2.gz RCKGWTIJCIOGTE-UHFFFAOYSA-N -1 0 329.736 3.769 20 0 EHADRM O=C([O-])c1ccc(Nc2c(F)cccc2OC[C@@H]2CCCO2)cc1F ZINC001175161952 1132585797 /nfs/dbraw/zinc/58/57/97/1132585797.db2.gz ODIOLISVZLTAQB-LBPRGKRZSA-N -1 0 349.333 3.964 20 0 EHADRM Cc1ncc(Nc2ccc(F)c(C(=O)[O-])c2)cc1Br ZINC001175215264 1132596872 /nfs/dbraw/zinc/59/68/72/1132596872.db2.gz BKMREMPDLVEJNF-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM COC(=O)c1cccc2nc(Nc3ccc(F)c(C(=O)[O-])c3)sc21 ZINC001175215718 1132597858 /nfs/dbraw/zinc/59/78/58/1132597858.db2.gz RBTTXIFCYRDLNM-UHFFFAOYSA-N -1 0 346.339 3.664 20 0 EHADRM O=C([O-])c1cc(Nc2ccc(O)cc2Br)ccc1F ZINC001175223860 1132599527 /nfs/dbraw/zinc/59/95/27/1132599527.db2.gz ZDPDCRJRBCQARI-UHFFFAOYSA-N -1 0 326.121 3.736 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(-c3ccncc3)c[nH]c2=O)cc1Cl ZINC001175315441 1132635791 /nfs/dbraw/zinc/63/57/91/1132635791.db2.gz FTJVUNHHSYASEE-UHFFFAOYSA-N -1 0 341.754 3.944 20 0 EHADRM CC(C)c1nc2ccc(Nc3ccc(C(=O)[O-])c(Cl)c3)cn2n1 ZINC001175315792 1132636214 /nfs/dbraw/zinc/63/62/14/1132636214.db2.gz LDUNYGITMRBYLP-UHFFFAOYSA-N -1 0 330.775 3.948 20 0 EHADRM Nc1ccc(Br)nc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175316973 1132636235 /nfs/dbraw/zinc/63/62/35/1132636235.db2.gz POFCFUHXFYEXTA-UHFFFAOYSA-N -1 0 342.580 3.522 20 0 EHADRM COC(=O)c1ccc(Cl)nc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175316441 1132636262 /nfs/dbraw/zinc/63/62/62/1132636262.db2.gz OQLXKGWMZUGWSI-UHFFFAOYSA-N -1 0 341.150 3.617 20 0 EHADRM COC(=O)c1ccc(Nc2ccc(C(=O)[O-])c(Cl)c2)cc1OC ZINC001175319359 1132636872 /nfs/dbraw/zinc/63/68/72/1132636872.db2.gz UQEMVZZVHZDAGW-UHFFFAOYSA-N -1 0 335.743 3.577 20 0 EHADRM CCOc1cc(Nc2cccc(C(=O)[O-])c2)cnc1Br ZINC001175327368 1132639378 /nfs/dbraw/zinc/63/93/78/1132639378.db2.gz HYXGSUGLEZNVPT-UHFFFAOYSA-N -1 0 337.173 3.685 20 0 EHADRM O=C([O-])c1cccc(Nc2cc(Cl)cnc2Br)c1 ZINC001175327156 1132639408 /nfs/dbraw/zinc/63/94/08/1132639408.db2.gz CQXCAYDMXRBNCP-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM Nc1cc(F)c(Br)cc1Nc1cccc(C(=O)[O-])c1 ZINC001175332421 1132641254 /nfs/dbraw/zinc/64/12/54/1132641254.db2.gz RZFYENXYCUTFGG-UHFFFAOYSA-N -1 0 325.137 3.612 20 0 EHADRM COCc1ccc([N-]S(=O)(=O)c2cc(C)c(Cl)s2)cc1 ZINC000766581712 1132657448 /nfs/dbraw/zinc/65/74/48/1132657448.db2.gz WHXYZSVIAJGFHN-UHFFFAOYSA-N -1 0 331.846 3.657 20 0 EHADRM Cn1ncc2c1cccc2Nc1c(Cl)c(F)[n-]c(=O)c1Cl ZINC001175433724 1132668441 /nfs/dbraw/zinc/66/84/41/1132668441.db2.gz HRPUVRLYFFLAJN-UHFFFAOYSA-N -1 0 327.146 3.863 20 0 EHADRM Cc1c2c[nH]nc2ccc1Nc1cc(S(=O)(=O)[O-])ccc1Cl ZINC001175467441 1132674581 /nfs/dbraw/zinc/67/45/81/1132674581.db2.gz VQWRPZCWOIKTQD-UHFFFAOYSA-N -1 0 337.788 3.515 20 0 EHADRM Cc1n[nH]c2ccc(Nc3cc(S(=O)(=O)[O-])ccc3Cl)cc12 ZINC001175702147 1132732111 /nfs/dbraw/zinc/73/21/11/1132732111.db2.gz LUZAZHGOPVJQQK-UHFFFAOYSA-N -1 0 337.788 3.515 20 0 EHADRM COc1cc(F)c(Nc2ccc(Cl)cc2S(=O)(=O)[O-])c(F)c1 ZINC001175721425 1132743669 /nfs/dbraw/zinc/74/36/69/1132743669.db2.gz CRSSXFOFCMGMBE-UHFFFAOYSA-N -1 0 349.742 3.617 20 0 EHADRM CCCn1nc(C)cc1Nc1ccc2ccccc2c1S(=O)(=O)[O-] ZINC001175805236 1132775032 /nfs/dbraw/zinc/77/50/32/1132775032.db2.gz VBSDXIPGGBRJFA-UHFFFAOYSA-N -1 0 345.424 3.745 20 0 EHADRM COc1c(NCc2cc(=O)[n-]o2)cccc1OCc1ccccc1 ZINC001169490841 1132775450 /nfs/dbraw/zinc/77/54/50/1132775450.db2.gz KJCXJNLKDOJQLU-UHFFFAOYSA-N -1 0 326.352 3.580 20 0 EHADRM Cn1ccc2c1cccc2Nc1cc(S(=O)(=O)[O-])ccc1Cl ZINC001175869639 1132789050 /nfs/dbraw/zinc/78/90/50/1132789050.db2.gz XKHHONDHGFYXCE-UHFFFAOYSA-N -1 0 336.800 3.822 20 0 EHADRM CCc1cccc([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)c1 ZINC000766891362 1132910199 /nfs/dbraw/zinc/91/01/99/1132910199.db2.gz GJSNHWXKODNQJR-UHFFFAOYSA-N -1 0 331.224 3.752 20 0 EHADRM C/C(=C\C(=O)Nc1ccccc1-n1ccc(C(=O)[O-])n1)C(C)(C)C ZINC000766990232 1132922884 /nfs/dbraw/zinc/92/28/84/1132922884.db2.gz JWOZROPKFXQTKC-VAWYXSNFSA-N -1 0 327.384 3.501 20 0 EHADRM CC(=O)N1CC2(CC2)c2ccc(Nc3csc(C(=O)[O-])c3)cc21 ZINC001176439030 1132929009 /nfs/dbraw/zinc/92/90/09/1132929009.db2.gz HIOAOZPCVUGKDT-UHFFFAOYSA-N -1 0 328.393 3.588 20 0 EHADRM COC(=O)c1sc2ncccc2c1Nc1csc(C(=O)[O-])c1 ZINC001176437254 1132929317 /nfs/dbraw/zinc/92/93/17/1132929317.db2.gz UOSFWHIRVVFDDT-UHFFFAOYSA-N -1 0 334.378 3.586 20 0 EHADRM O=C([O-])c1cc(Nc2cccc(F)c2OC[C@H]2CCCO2)cs1 ZINC001176440017 1132929557 /nfs/dbraw/zinc/92/95/57/1132929557.db2.gz COMPWTJUIJYETM-LLVKDONJSA-N -1 0 337.372 3.887 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)/C=C\c1ccccc1Cl)c1ccccc1 ZINC000767067251 1132940810 /nfs/dbraw/zinc/94/08/10/1132940810.db2.gz IKNGPCQMGWZENT-XLIYLGNISA-N -1 0 343.810 3.931 20 0 EHADRM CC(C)Oc1cc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c(F)cn1 ZINC001176486163 1132946135 /nfs/dbraw/zinc/94/61/35/1132946135.db2.gz ZIMMDVPMHRCLQD-UHFFFAOYSA-N -1 0 328.347 3.643 20 0 EHADRM COc1cc(Nc2cc(F)cc(N3CCOCC3)c2)ccc1[S-] ZINC001176500781 1132950707 /nfs/dbraw/zinc/95/07/07/1132950707.db2.gz JQQDBTYDMKLNBN-UHFFFAOYSA-N -1 0 334.416 3.703 20 0 EHADRM CCCCOc1ccc(-n2[n-]c(=O)c3cc(N)ccc32)c(F)c1F ZINC001176522022 1132957434 /nfs/dbraw/zinc/95/74/34/1132957434.db2.gz HOCGTLMIKVWQFH-UHFFFAOYSA-N -1 0 333.338 3.770 20 0 EHADRM COc1ccc(O)cc1Nc1ccc(S(=O)(=O)[O-])c2ccccc12 ZINC001176580554 1132960009 /nfs/dbraw/zinc/96/00/09/1132960009.db2.gz YTCOZWRYOAIJKS-UHFFFAOYSA-N -1 0 345.376 3.544 20 0 EHADRM COCCNc1cccc(F)c1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176588123 1132961665 /nfs/dbraw/zinc/96/16/65/1132961665.db2.gz JAHLVOQUNONJIY-UHFFFAOYSA-N -1 0 344.386 3.744 20 0 EHADRM COc1ncc(Br)cc1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176591426 1132963310 /nfs/dbraw/zinc/96/33/10/1132963310.db2.gz IHWHXVILZAXVPH-QPJJXVBHSA-N -1 0 349.184 3.694 20 0 EHADRM CCOC(=O)c1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)c(F)c1 ZINC001176592909 1132963601 /nfs/dbraw/zinc/96/36/01/1132963601.db2.gz PKQDNDFPROEDLY-BJMVGYQFSA-N -1 0 329.327 3.844 20 0 EHADRM Cc1cc(Nc2ccc(/C=C/C(=O)[O-])cc2)ncc1Br ZINC001176592164 1132963684 /nfs/dbraw/zinc/96/36/84/1132963684.db2.gz VMXSHNRWTQKVMW-QPJJXVBHSA-N -1 0 333.185 3.994 20 0 EHADRM COc1nccc(Nc2ccc(/C=C/C(=O)[O-])cc2)c1Br ZINC001176591472 1132963748 /nfs/dbraw/zinc/96/37/48/1132963748.db2.gz JVLHSRREKBJPQY-QPJJXVBHSA-N -1 0 349.184 3.694 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2ccccc2CN2CCCC2=O)cc1 ZINC001176596044 1132964451 /nfs/dbraw/zinc/96/44/51/1132964451.db2.gz VDPAEMAZIYDUPB-FMIVXFBMSA-N -1 0 336.391 3.650 20 0 EHADRM COc1cc(OC)c(Nc2ccc(/C=C/C(=O)[O-])cc2)c(OC)c1 ZINC001176595332 1132964495 /nfs/dbraw/zinc/96/44/95/1132964495.db2.gz IWBLYYSQXATASQ-RMKNXTFCSA-N -1 0 329.352 3.554 20 0 EHADRM CC(C)c1nnc([N-]c2cc(C(=O)N3CCCCC3)ccc2F)o1 ZINC001176684071 1132983092 /nfs/dbraw/zinc/98/30/92/1132983092.db2.gz SMIFNQJFTGCLMB-UHFFFAOYSA-N -1 0 332.379 3.702 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)CC1(C)CCCCC1 ZINC000767550766 1133017435 /nfs/dbraw/zinc/01/74/35/1133017435.db2.gz POGHNXZWMONQQN-UHFFFAOYSA-N -1 0 343.876 3.814 20 0 EHADRM Cc1c(Cl)cc(NC(=O)Cc2cncc(Cl)n2)c([O-])c1Cl ZINC001177232992 1133043342 /nfs/dbraw/zinc/04/33/42/1133043342.db2.gz LACIJYDHZMCIFR-UHFFFAOYSA-N -1 0 346.601 3.632 20 0 EHADRM O=C(N[C@@H]1CCCC2(CC2)C1)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC001178995275 1133219828 /nfs/dbraw/zinc/21/98/28/1133219828.db2.gz VLBOCORVXBMJBB-CYBMUJFWSA-N -1 0 345.830 3.684 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)C(F)(F)F ZINC000769098919 1133223128 /nfs/dbraw/zinc/22/31/28/1133223128.db2.gz KBUUSWYTLZRRMG-RDDDGLTNSA-N -1 0 332.347 3.823 20 0 EHADRM C[C@H](CC(F)(F)F)C(=O)Nc1ccc(F)c(Br)c1[O-] ZINC001179864786 1133295977 /nfs/dbraw/zinc/29/59/77/1133295977.db2.gz JQFWUWOXQIEFDX-RXMQYKEDSA-N -1 0 344.102 3.821 20 0 EHADRM CCn1nc(/C=C/c2ncc(/C=C\C(=O)[O-])s2)c2ccccc21 ZINC000769740470 1133340894 /nfs/dbraw/zinc/34/08/94/1133340894.db2.gz FPKDXFAKTQGOAU-AZRUORMVSA-N -1 0 325.393 3.781 20 0 EHADRM C[C@H]1CN(C)c2ccccc2N(C(=O)c2c([O-])cccc2Cl)C1 ZINC000769920915 1133360614 /nfs/dbraw/zinc/36/06/14/1133360614.db2.gz ITDQKFJDBGZYRN-LBPRGKRZSA-N -1 0 330.815 3.778 20 0 EHADRM Cc1nn(C)c(Cl)c1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000770451216 1133432070 /nfs/dbraw/zinc/43/20/70/1133432070.db2.gz GWYGLNNVUKIMMO-UHFFFAOYSA-N -1 0 334.590 3.647 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1ccc(-n2ccnc2)nc1 ZINC000770454247 1133432392 /nfs/dbraw/zinc/43/23/92/1133432392.db2.gz ZOAYAFCWFHOAIG-UHFFFAOYSA-N -1 0 349.177 3.532 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccc(SC(F)F)nc1 ZINC000771133763 1133516283 /nfs/dbraw/zinc/51/62/83/1133516283.db2.gz CRCGTDBSPJQUCO-UHFFFAOYSA-N -1 0 336.410 3.567 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)[N-]S(=O)(=O)C1CCC1 ZINC000774285314 1133656554 /nfs/dbraw/zinc/65/65/54/1133656554.db2.gz YHQKQSUDWDJQBT-UHFFFAOYSA-N -1 0 343.404 3.507 20 0 EHADRM COc1cc(C)cc(CNC(=O)c2c([O-])cc(Cl)cc2Cl)c1 ZINC001183057988 1133764204 /nfs/dbraw/zinc/76/42/04/1133764204.db2.gz NLWVANOXKCAGID-UHFFFAOYSA-N -1 0 340.206 3.946 20 0 EHADRM CO[C@H]1CCC[C@@H]1C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC001183112833 1133770934 /nfs/dbraw/zinc/77/09/34/1133770934.db2.gz SFHFBKXYKXQSMT-KWQFWETISA-N -1 0 348.624 3.562 20 0 EHADRM N=C(NC(=O)Cc1ccc([S-])cc1)C12CC3CC(CC(C3)C1)C2 ZINC001183188283 1133776688 /nfs/dbraw/zinc/77/66/88/1133776688.db2.gz WPCUPMMETMIXJD-UHFFFAOYSA-N -1 0 328.481 3.828 20 0 EHADRM O=C(Cc1ccc([S-])cc1)Nc1ccncc1Oc1ccccc1 ZINC001183184413 1133777011 /nfs/dbraw/zinc/77/70/11/1133777011.db2.gz VIICCDXUMOFNDF-UHFFFAOYSA-N -1 0 336.416 3.766 20 0 EHADRM C[C@H]1CN(C(=O)Cc2ccc([S-])cc2)[C@@H](c2ccccc2)CO1 ZINC001183190068 1133777665 /nfs/dbraw/zinc/77/76/65/1133777665.db2.gz ATSLFTPVJQTPCS-KBXCAEBGSA-N -1 0 327.449 3.506 20 0 EHADRM C[C@H]1CC[C@@H](CNC(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC001183348909 1133797338 /nfs/dbraw/zinc/79/73/38/1133797338.db2.gz FEDNCXZSRDDSKG-DTWKUNHWSA-N -1 0 346.652 3.974 20 0 EHADRM CC(C)[C@H](CO)[C@@H](NC(=O)c1c([O-])cc(Cl)cc1Cl)C(C)C ZINC001183495062 1133816416 /nfs/dbraw/zinc/81/64/16/1133816416.db2.gz KKKNMELWFOVTRE-NHYWBVRUSA-N -1 0 348.270 3.718 20 0 EHADRM O=C(NC[C@H]1CCC[C@H]1c1ccccc1)c1c([O-])cc(F)cc1F ZINC001183571940 1133827767 /nfs/dbraw/zinc/82/77/67/1133827767.db2.gz OCVVNEXMKNYGET-HIFRSBDPSA-N -1 0 331.362 3.984 20 0 EHADRM C[C@@H]1CCCCN(C(=O)CCC(=O)C=C([O-])c2ccc(Cl)cc2)C1 ZINC001184117460 1133899987 /nfs/dbraw/zinc/89/99/87/1133899987.db2.gz YRUDRZNKHOLMTG-CQSZACIVSA-N -1 0 349.858 3.911 20 0 EHADRM COc1cc(C)cc(NC(=O)c2ccc3[n-]c(=S)oc3c2)c1C ZINC000787647837 1134025245 /nfs/dbraw/zinc/02/52/45/1134025245.db2.gz BNDUMFQPRUZHHC-UHFFFAOYSA-N -1 0 328.393 3.994 20 0 EHADRM O=S(=O)(Cc1cc(F)cc(F)c1)[N-]c1nc2ccccc2s1 ZINC001185083893 1134033776 /nfs/dbraw/zinc/03/37/76/1134033776.db2.gz MUFUMYLHXBDFPW-UHFFFAOYSA-N -1 0 340.376 3.516 20 0 EHADRM CC1(C)CC[C@H](C(=O)Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)C1 ZINC001185170001 1134042667 /nfs/dbraw/zinc/04/26/67/1134042667.db2.gz XSVYUWOILXHWDQ-ZDUSSCGKSA-N -1 0 347.436 3.851 20 0 EHADRM CCCCC[C@H](C)[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC001185233225 1134054782 /nfs/dbraw/zinc/05/47/82/1134054782.db2.gz STHHVDGXTDOORZ-VIFPVBQESA-N -1 0 325.808 3.865 20 0 EHADRM C[C@H](Sc1ccc(Br)cc1)C(=O)[N-]OC1CCCC1 ZINC000774867224 1134077343 /nfs/dbraw/zinc/07/73/43/1134077343.db2.gz FZBQXKMFYOOWAI-JTQLQIEISA-N -1 0 344.274 3.920 20 0 EHADRM O=S(=O)([N-]c1cc(-c2ccco2)no1)c1cc2ccccc2s1 ZINC001185429505 1134084228 /nfs/dbraw/zinc/08/42/28/1134084228.db2.gz OZSZIDODQSCYFS-UHFFFAOYSA-N -1 0 346.389 3.950 20 0 EHADRM CCC(CC)(C(=O)[N-]OC1CCOCC1)c1ccc(Cl)cc1 ZINC000772715175 1134091158 /nfs/dbraw/zinc/09/11/58/1134091158.db2.gz YBYDSLZKEAVXOC-UHFFFAOYSA-N -1 0 325.836 3.625 20 0 EHADRM COc1cc(F)cc([N-]S(=O)(=O)c2cc3ccccc3s2)c1 ZINC001185462961 1134091891 /nfs/dbraw/zinc/09/18/91/1134091891.db2.gz RYCXYAHSUDHUAL-UHFFFAOYSA-N -1 0 337.397 3.850 20 0 EHADRM Cc1cccc(CO)c1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185464191 1134093015 /nfs/dbraw/zinc/09/30/15/1134093015.db2.gz NYIQYKATFWFHIZ-UHFFFAOYSA-N -1 0 333.434 3.503 20 0 EHADRM CC(C)COc1cccc(NC(=O)N(C)[C@H](CC(C)C)C(=O)[O-])c1 ZINC000788320017 1134113389 /nfs/dbraw/zinc/11/33/89/1134113389.db2.gz ZRJMZGMOXMSBGV-MRXNPFEDSA-N -1 0 336.432 3.684 20 0 EHADRM O=S(=O)([N-]c1cccc(-c2ccncc2)c1)c1ccc(Cl)nc1 ZINC001185679168 1134124471 /nfs/dbraw/zinc/12/44/71/1134124471.db2.gz HPJAPUQTIIMNBM-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM COC(=O)c1cccc([C@@H]2CCCN2C(=O)c2cccc([S-])c2)c1 ZINC001186152269 1134176138 /nfs/dbraw/zinc/17/61/38/1134176138.db2.gz JTQQFSUXVWFDDE-KRWDZBQOSA-N -1 0 341.432 3.739 20 0 EHADRM CCOC(=O)CCc1ccc(NC(=O)c2cccc([S-])c2)cc1F ZINC001186155837 1134176467 /nfs/dbraw/zinc/17/64/67/1134176467.db2.gz IUZLAACSHAUJQC-UHFFFAOYSA-N -1 0 347.411 3.862 20 0 EHADRM O=S(=O)([N-]c1nc(F)c(F)cc1F)c1csc2ccccc21 ZINC001186452773 1134214000 /nfs/dbraw/zinc/21/40/00/1134214000.db2.gz ZUJNKRATBRYPRR-UHFFFAOYSA-N -1 0 344.339 3.514 20 0 EHADRM O=S(=O)([N-]c1cccc2snnc21)c1csc2ccccc21 ZINC001186497664 1134222790 /nfs/dbraw/zinc/22/27/90/1134222790.db2.gz COJQBLPBPGYWME-UHFFFAOYSA-N -1 0 347.446 3.707 20 0 EHADRM CC[C@@H](C)[C@@H](C)N(C1CC1)S(=O)(=O)c1cccc(Cl)c1[O-] ZINC001186742287 1134250748 /nfs/dbraw/zinc/25/07/48/1134250748.db2.gz ODYDJIFLDFDCGW-GHMZBOCLSA-N -1 0 331.865 3.633 20 0 EHADRM O=S(=O)([N-]c1ccc(C(F)(F)F)c(Cl)c1)c1ccco1 ZINC001186851575 1134260364 /nfs/dbraw/zinc/26/03/64/1134260364.db2.gz DPVPDJDQZZZDOO-UHFFFAOYSA-N -1 0 325.695 3.753 20 0 EHADRM C[C@H]1CC([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)C[C@H](C)C1 ZINC001187163371 1134304570 /nfs/dbraw/zinc/30/45/70/1134304570.db2.gz AGZUYMILVASMMK-RKDXNWHRSA-N -1 0 337.819 3.721 20 0 EHADRM CCCCc1nnc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)o1 ZINC000775096988 1134307035 /nfs/dbraw/zinc/30/70/35/1134307035.db2.gz WPOGMFWBXOMCCB-UHFFFAOYSA-N -1 0 337.445 3.511 20 0 EHADRM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1cc2c(s1)CCCC2 ZINC001187206955 1134313814 /nfs/dbraw/zinc/31/38/14/1134313814.db2.gz MSMUPRRIYMGDOJ-UHFFFAOYSA-N -1 0 347.383 3.845 20 0 EHADRM O=S(=O)([N-]c1cccc2cnoc21)c1cc2c(s1)CCCC2 ZINC001187215520 1134316951 /nfs/dbraw/zinc/31/69/51/1134316951.db2.gz QXSARYHCDCFIQU-UHFFFAOYSA-N -1 0 334.422 3.569 20 0 EHADRM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(F)n2)c1 ZINC000789737002 1134330122 /nfs/dbraw/zinc/33/01/22/1134330122.db2.gz KNOZCUXQBUCCEB-UHFFFAOYSA-N -1 0 328.796 3.798 20 0 EHADRM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]c2cnc(Cl)cn2)c1 ZINC000789737971 1134330343 /nfs/dbraw/zinc/33/03/43/1134330343.db2.gz DPDSNZJJKBTWLM-UHFFFAOYSA-N -1 0 346.239 3.708 20 0 EHADRM O=S(=O)([N-]CCCCC1CCCC1)c1c(F)cc(F)cc1F ZINC001187479980 1134340954 /nfs/dbraw/zinc/34/09/54/1134340954.db2.gz RXPLTGUHZIORMS-UHFFFAOYSA-N -1 0 335.391 3.743 20 0 EHADRM COc1ccc(C(=O)[O-])cc1NCc1nc2cc(Cl)ccc2n1C ZINC000789897182 1134347098 /nfs/dbraw/zinc/34/70/98/1134347098.db2.gz GUJLZIBJDQJYDY-UHFFFAOYSA-N -1 0 345.786 3.546 20 0 EHADRM O=C([O-])c1cc(NCc2ccc3ccccc3c2)cc2c1OCCO2 ZINC000789902152 1134347718 /nfs/dbraw/zinc/34/77/18/1134347718.db2.gz LJXULJUZGKJODI-UHFFFAOYSA-N -1 0 335.359 3.921 20 0 EHADRM O=C([O-])c1cc(Br)cc(NCc2cccnc2Cl)c1 ZINC000789903066 1134347776 /nfs/dbraw/zinc/34/77/76/1134347776.db2.gz TZTUFDWWTMZFAC-UHFFFAOYSA-N -1 0 341.592 3.808 20 0 EHADRM CC(C)c1cc([N-]S(=O)(=O)CCc2cccc3ccccc32)on1 ZINC001187614494 1134356878 /nfs/dbraw/zinc/35/68/78/1134356878.db2.gz INBKQPXLXPNZMI-UHFFFAOYSA-N -1 0 344.436 3.936 20 0 EHADRM O=S(=O)([N-]c1c(Cl)cc(F)cc1C1CC1)c1nccs1 ZINC001187899348 1134393919 /nfs/dbraw/zinc/39/39/19/1134393919.db2.gz OURVKBDUFGLPSK-UHFFFAOYSA-N -1 0 332.809 3.614 20 0 EHADRM O=S(=O)([N-]c1cc(C2CCCCC2)ccc1O)c1nccs1 ZINC001187899904 1134394444 /nfs/dbraw/zinc/39/44/44/1134394444.db2.gz ZGJFTNXHDLATAT-UHFFFAOYSA-N -1 0 338.454 3.697 20 0 EHADRM Cc1ccc(NC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1F ZINC001187991678 1134408660 /nfs/dbraw/zinc/40/86/60/1134408660.db2.gz DQBJEQFTDLFUFO-UHFFFAOYSA-N -1 0 326.331 3.669 20 0 EHADRM COc1cscc1C(=O)Nc1ccc(F)c(Br)c1[O-] ZINC001188310993 1134450810 /nfs/dbraw/zinc/45/08/10/1134450810.db2.gz DNKLQRWEHGBYGA-UHFFFAOYSA-N -1 0 346.177 3.616 20 0 EHADRM CC(C)[C@H](NC(=O)c1ccc([O-])c(C(F)(F)F)c1)c1cccnc1 ZINC001188598714 1134480990 /nfs/dbraw/zinc/48/09/90/1134480990.db2.gz WCROEXFTERYIAJ-HNNXBMFYSA-N -1 0 338.329 3.933 20 0 EHADRM COc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccoc3)cc2)cc1 ZINC001188607447 1134481368 /nfs/dbraw/zinc/48/13/68/1134481368.db2.gz AVJUQFKYQBSGRE-UHFFFAOYSA-N -1 0 345.376 3.881 20 0 EHADRM COc1ccc(-c2ccc([N-]S(=O)(=O)c3ccoc3)cc2)cc1 ZINC001188609887 1134482323 /nfs/dbraw/zinc/48/23/23/1134482323.db2.gz CYFUHLJJHONWNO-UHFFFAOYSA-N -1 0 329.377 3.756 20 0 EHADRM O=C([N-]c1nc(-c2cccs2)ns1)c1nc(Cl)cs1 ZINC000790918452 1134482894 /nfs/dbraw/zinc/48/28/94/1134482894.db2.gz KNRLQAMBSDRPQC-UHFFFAOYSA-N -1 0 328.831 3.629 20 0 EHADRM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2-c2ccco2)c1 ZINC001189239445 1134555875 /nfs/dbraw/zinc/55/58/75/1134555875.db2.gz NXVSTQVGDWTDKC-UHFFFAOYSA-N -1 0 341.388 3.950 20 0 EHADRM CCOCCO[N-]C(=O)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000775236892 1134570919 /nfs/dbraw/zinc/57/09/19/1134570919.db2.gz TWDXZWDTRUIXGT-UHFFFAOYSA-N -1 0 325.836 3.626 20 0 EHADRM O=S(=O)([N-]c1cccc2cnoc21)c1ccc(F)c2ccccc21 ZINC001189388033 1134578242 /nfs/dbraw/zinc/57/82/42/1134578242.db2.gz DRKLJZJURBBWLJ-UHFFFAOYSA-N -1 0 342.351 3.921 20 0 EHADRM CSc1cc(C)nc(SC)c1[N-]C(=O)c1ccn(C(F)F)n1 ZINC001189442545 1134588107 /nfs/dbraw/zinc/58/81/07/1134588107.db2.gz MIOFBAXUJTVCJZ-UHFFFAOYSA-N -1 0 344.412 3.678 20 0 EHADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)Cc1cc(F)ccc1F ZINC001189644439 1134605555 /nfs/dbraw/zinc/60/55/55/1134605555.db2.gz VZDMUOFAFZTWLZ-UHFFFAOYSA-N -1 0 347.770 3.569 20 0 EHADRM Cc1cnc(Br)c(Nc2ccc(C(=O)[O-])cc2F)c1 ZINC001203286513 1134638893 /nfs/dbraw/zinc/63/88/93/1134638893.db2.gz TWPTZGCWZPEYTC-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM Cc1cc(F)ccc1CS(=O)(=O)[N-]C(=O)C[C@H](C)CC(C)(C)C ZINC000792065382 1134646507 /nfs/dbraw/zinc/64/65/07/1134646507.db2.gz TZAPCEXWFFBUCL-LBPRGKRZSA-N -1 0 343.464 3.543 20 0 EHADRM CC[C@H](C)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(OC)n1 ZINC001190058864 1134653279 /nfs/dbraw/zinc/65/32/79/1134653279.db2.gz PQAXDGYRJMWCTJ-NSHDSACASA-N -1 0 338.404 3.544 20 0 EHADRM CC[C@@H](C)c1ccc([N-]S(=O)(=O)c2ccc(F)c(OC)n2)cc1 ZINC001190059152 1134653369 /nfs/dbraw/zinc/65/33/69/1134653369.db2.gz UQLKNXDCSISTAO-LLVKDONJSA-N -1 0 338.404 3.544 20 0 EHADRM COc1cccc2c1OCC[C@H]2NC(=O)c1cc(O)c2ccccc2c1 ZINC000792123396 1134660815 /nfs/dbraw/zinc/66/08/15/1134660815.db2.gz NUCNCDGPTQPJLZ-QGZVFWFLSA-N -1 0 349.386 3.808 20 0 EHADRM CCCc1nnsc1C(=O)Nc1c(Cl)ccc([O-])c1Cl ZINC001190167478 1134666384 /nfs/dbraw/zinc/66/63/84/1134666384.db2.gz XTWTZJGAIZCVHM-UHFFFAOYSA-N -1 0 332.212 3.755 20 0 EHADRM O=S(=O)([N-]c1ccc2sncc2c1)c1cc(F)cc(F)c1F ZINC001190391234 1134690235 /nfs/dbraw/zinc/69/02/35/1134690235.db2.gz SZIHAQNAAPFKFD-UHFFFAOYSA-N -1 0 344.339 3.514 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cncc(OC)c2)cc1 ZINC001190424406 1134698438 /nfs/dbraw/zinc/69/84/38/1134698438.db2.gz ZXMKTMXGICFSBL-UHFFFAOYSA-N -1 0 334.441 3.579 20 0 EHADRM Cc1cc2c(ncnc2[N-]S(=O)(=O)c2ccc(C3CC3)cc2)s1 ZINC001190461444 1134704744 /nfs/dbraw/zinc/70/47/44/1134704744.db2.gz VEPQDRDZSADSPD-UHFFFAOYSA-N -1 0 345.449 3.678 20 0 EHADRM O=S(=O)(Nc1ccc2c(c1)[C@@H](O)CCC2)c1ccc(C2CC2)cc1 ZINC001190506086 1134708050 /nfs/dbraw/zinc/70/80/50/1134708050.db2.gz GWJZOKDWOKYPRQ-IBGZPJMESA-N -1 0 343.448 3.735 20 0 EHADRM Cc1ccc(Oc2ccccc2[N-]S(=O)(=O)c2ccncc2)cc1 ZINC001190887679 1134763765 /nfs/dbraw/zinc/76/37/65/1134763765.db2.gz OTGVNOCHISNENW-UHFFFAOYSA-N -1 0 340.404 3.983 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c(C)c1 ZINC000077899727 1134793235 /nfs/dbraw/zinc/79/32/35/1134793235.db2.gz VVFRRTNSEBYMMN-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CC1(C)CCCC[C@H]1CC(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000752470315 1134805580 /nfs/dbraw/zinc/80/55/80/1134805580.db2.gz TYGNPMBANCELTC-JTQLQIEISA-N -1 0 349.905 3.813 20 0 EHADRM COc1cc(C)cc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)c1 ZINC001191186118 1134822360 /nfs/dbraw/zinc/82/23/60/1134822360.db2.gz MIDOBPJPKBFTGJ-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM Cc1ccc(F)cc1NC(=O)Nc1ncc(Br)cc1[O-] ZINC001191371673 1134858267 /nfs/dbraw/zinc/85/82/67/1134858267.db2.gz CAEAPWZOALWRNO-UHFFFAOYSA-N -1 0 340.152 3.641 20 0 EHADRM Cc1cc(F)nc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2Cl)c1 ZINC001191737453 1134915652 /nfs/dbraw/zinc/91/56/52/1134915652.db2.gz YRHWMVMLDMCHQX-UHFFFAOYSA-N -1 0 349.214 3.945 20 0 EHADRM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2ccc(CO)cc2)c1Cl ZINC001191753818 1134917473 /nfs/dbraw/zinc/91/74/73/1134917473.db2.gz DHOUMPBSJITQJE-UHFFFAOYSA-N -1 0 346.235 3.595 20 0 EHADRM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2cccc(CO)c2)c1Cl ZINC001191755213 1134917565 /nfs/dbraw/zinc/91/75/65/1134917565.db2.gz NRQQECKUWMBYLO-UHFFFAOYSA-N -1 0 346.235 3.595 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(Cl)s1 ZINC001191787541 1134922533 /nfs/dbraw/zinc/92/25/33/1134922533.db2.gz BWOYBXFGEOHAGF-UHFFFAOYSA-N -1 0 331.846 3.909 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1csc2ncccc12 ZINC001191787300 1134922587 /nfs/dbraw/zinc/92/25/87/1134922587.db2.gz GMEVRVNYYPINFM-UHFFFAOYSA-N -1 0 348.449 3.804 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccnc(C2CCC2)c1 ZINC001191791973 1134924513 /nfs/dbraw/zinc/92/45/13/1134924513.db2.gz JKAPLBLLXIMCFU-UHFFFAOYSA-N -1 0 346.452 3.857 20 0 EHADRM COc1ccc2cc(S(=O)(=O)[N-]c3nc(C)c(C)s3)ccc2c1 ZINC001191932068 1134943457 /nfs/dbraw/zinc/94/34/57/1134943457.db2.gz NNAREKBUFWUVPY-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM Cc1ccc2cccnc2c1NC(=O)c1nc(Cc2ccccc2)no1 ZINC001192269566 1134990985 /nfs/dbraw/zinc/99/09/85/1134990985.db2.gz CUCVDZDFSZJWEJ-UHFFFAOYSA-N -1 0 344.374 3.769 20 0 EHADRM CC(=O)SCCCCCCNC(=O)c1cccc(Cl)c1[O-] ZINC000793839630 1134995140 /nfs/dbraw/zinc/99/51/40/1134995140.db2.gz BWHVSQGVDVLXJL-UHFFFAOYSA-N -1 0 329.849 3.616 20 0 EHADRM Cc1cccnc1CCCNC(=O)c1ccc(C(C)(C)C)cc1O ZINC001192313689 1134997122 /nfs/dbraw/zinc/99/71/22/1134997122.db2.gz HGYLIBYWWUQEDA-UHFFFAOYSA-N -1 0 326.440 3.756 20 0 EHADRM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1cccc(C2CCC2)n1 ZINC001192321687 1134997750 /nfs/dbraw/zinc/99/77/50/1134997750.db2.gz TVKCKAJOJPAYMI-UHFFFAOYSA-N -1 0 337.832 3.507 20 0 EHADRM CCN(C(=O)c1c(F)ccc(F)c1[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC001192694959 1135046642 /nfs/dbraw/zinc/04/66/42/1135046642.db2.gz QEILJNMNLAJKQM-LBPRGKRZSA-N -1 0 349.377 3.772 20 0 EHADRM O=C(Nc1ncccc1-c1ccccc1)c1c([O-])ccc(F)c1F ZINC001192729401 1135047016 /nfs/dbraw/zinc/04/70/16/1135047016.db2.gz IDPKBVHVMAIJGM-UHFFFAOYSA-N -1 0 326.302 3.985 20 0 EHADRM C[C@H](NC(=O)c1c(F)ccc(F)c1[O-])c1nc(-c2ccccc2)c[nH]1 ZINC001192721074 1135052383 /nfs/dbraw/zinc/05/23/83/1135052383.db2.gz XTCPXUJWOVNMLV-JTQLQIEISA-N -1 0 343.333 3.552 20 0 EHADRM CC[C@@H](NC(=O)c1c([O-])ccc(F)c1F)c1ccc(F)c(F)c1 ZINC001192784125 1135054472 /nfs/dbraw/zinc/05/44/72/1135054472.db2.gz ITGDHCBYUTWHKQ-GFCCVEGCSA-N -1 0 327.277 3.830 20 0 EHADRM O=C(Nc1cnnc2ccc(Cl)cc21)c1ccc(F)c(F)c1[O-] ZINC001192796297 1135056504 /nfs/dbraw/zinc/05/65/04/1135056504.db2.gz BNZWDVNNYYTVFA-UHFFFAOYSA-N -1 0 335.697 3.519 20 0 EHADRM O=C(Nc1ccc(-c2ccc[nH]2)cc1)c1n[n-]c2ccccc2c1=O ZINC000775559523 1135082630 /nfs/dbraw/zinc/08/26/30/1135082630.db2.gz RQIAWCQSIZFRRU-UHFFFAOYSA-N -1 0 330.347 3.583 20 0 EHADRM Cc1cnc(Cl)nc1C(=O)Nc1ccc2[n-]c(=S)sc2c1 ZINC001193244480 1135117533 /nfs/dbraw/zinc/11/75/33/1135117533.db2.gz RFLIDRDCFDKNGX-UHFFFAOYSA-N -1 0 336.829 3.589 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccn3nccc23)c2ccccc12 ZINC001193833228 1135190935 /nfs/dbraw/zinc/19/09/35/1135190935.db2.gz AAHJMPOVEIGKDK-UHFFFAOYSA-N -1 0 337.404 3.597 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2O)c2ccccc12 ZINC001193857647 1135196960 /nfs/dbraw/zinc/19/69/60/1135196960.db2.gz NWBDGTVMCHPNAL-UHFFFAOYSA-N -1 0 331.368 3.794 20 0 EHADRM Cc1ccnc([N-]S(=O)(=O)c2ccc3c(Cl)cccc3c2)c1 ZINC001194215697 1135245080 /nfs/dbraw/zinc/24/50/80/1135245080.db2.gz LFWDIPLIRUBKGG-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)NCc1sccc1Cl ZINC001194277641 1135248095 /nfs/dbraw/zinc/24/80/95/1135248095.db2.gz QJIJSDBEKHBOAG-UHFFFAOYSA-N -1 0 347.827 3.531 20 0 EHADRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(C2CCC2)nc1 ZINC001194267877 1135252892 /nfs/dbraw/zinc/25/28/92/1135252892.db2.gz MWPYFNIOGAXUCK-UHFFFAOYSA-N -1 0 348.406 3.801 20 0 EHADRM Cc1ncc([N-]S(=O)(=O)c2cccc3c(Cl)cccc32)nc1C ZINC001194411324 1135265716 /nfs/dbraw/zinc/26/57/16/1135265716.db2.gz MLQBDUIGRDGMHR-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM O=C(Nc1cccc(S(=O)(=O)[O-])c1)Oc1ccc2ccccc2c1 ZINC001194656400 1135298137 /nfs/dbraw/zinc/29/81/37/1135298137.db2.gz SWQUTUVTZXPBDU-UHFFFAOYSA-N -1 0 343.360 3.697 20 0 EHADRM Cc1ccccc1-n1nccc1[N-]S(=O)(=O)c1c(C)cccc1C ZINC001194616266 1135300012 /nfs/dbraw/zinc/30/00/12/1135300012.db2.gz QYTCYZUEIOQUOH-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM C[C@@H](OCc1ccc(C(=O)[O-])cc1)c1cccc(Br)n1 ZINC001205672162 1135306521 /nfs/dbraw/zinc/30/65/21/1135306521.db2.gz IOAGZXVGBWRMBO-SNVBAGLBSA-N -1 0 336.185 3.820 20 0 EHADRM CC[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1cccc2nccnc21 ZINC001194931861 1135342964 /nfs/dbraw/zinc/34/29/64/1135342964.db2.gz FVLFHVXOGUDOBZ-CYBMUJFWSA-N -1 0 341.436 3.944 20 0 EHADRM C[Si](C)(C)CCS(=O)(=O)[N-]c1ncc(-c2ccccc2)s1 ZINC001195041069 1135358335 /nfs/dbraw/zinc/35/83/35/1135358335.db2.gz OOSDZGDHNMMJFD-UHFFFAOYSA-N -1 0 340.546 3.890 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cncc(N3CCCC3)c2)c1 ZINC001195121198 1135373320 /nfs/dbraw/zinc/37/33/20/1135373320.db2.gz VTPMSEIVZVGOJG-UHFFFAOYSA-N -1 0 345.468 3.606 20 0 EHADRM CN(Cc1ccccc1N1CCCC1)C(=O)c1cccc(Cl)c1[O-] ZINC000775646968 1135400064 /nfs/dbraw/zinc/40/00/64/1135400064.db2.gz NSMBYDCJQFWIEZ-UHFFFAOYSA-N -1 0 344.842 3.918 20 0 EHADRM Cn1ncc(C(=O)Nc2c(Cl)ccc([O-])c2Cl)c1C(F)F ZINC001195270813 1135402820 /nfs/dbraw/zinc/40/28/20/1135402820.db2.gz JAAMQYOXVRMSFC-UHFFFAOYSA-N -1 0 336.125 3.622 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cnc(Cl)c(C)c1 ZINC001195271302 1135403016 /nfs/dbraw/zinc/40/30/16/1135403016.db2.gz MSFNNSUTXYPVIU-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM C[C@@H]1c2ccccc2CCN1C(=O)c1c([O-])c(F)c(F)c(F)c1F ZINC001195277552 1135404292 /nfs/dbraw/zinc/40/42/92/1135404292.db2.gz FEIBAHOBWSHGQM-MRVPVSSYSA-N -1 0 339.288 3.708 20 0 EHADRM COc1ccc(OC)c([C@@H](C)NC(=O)c2cccc(Cl)c2[O-])c1 ZINC000775647628 1135409284 /nfs/dbraw/zinc/40/92/84/1135409284.db2.gz ZTEXUVCQAPVDOU-SNVBAGLBSA-N -1 0 335.787 3.554 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)sc2c1)c1cc(O)cnc1Cl ZINC001195308250 1135410833 /nfs/dbraw/zinc/41/08/33/1135410833.db2.gz AFLUTSTZILJRBB-UHFFFAOYSA-N -1 0 337.813 3.591 20 0 EHADRM O=S(=O)([N-]c1cc(C2CCCCC2)ccc1O)c1ccc(O)cc1 ZINC001195810120 1135474336 /nfs/dbraw/zinc/47/43/36/1135474336.db2.gz CHPRJVNPXKMNSO-UHFFFAOYSA-N -1 0 347.436 3.946 20 0 EHADRM C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1)c1ccsc1 ZINC000121429015 1135484171 /nfs/dbraw/zinc/48/41/71/1135484171.db2.gz HBBOWQROVLRNKC-GFCCVEGCSA-N -1 0 345.445 3.510 20 0 EHADRM COc1ccccc1C[C@@H]1CCCN1C(=O)c1cccc(Cl)c1[O-] ZINC000775679435 1135503862 /nfs/dbraw/zinc/50/38/62/1135503862.db2.gz BPMBFBLACQGPKF-AWEZNQCLSA-N -1 0 345.826 3.902 20 0 EHADRM COCCN(C(=O)c1cccc(Cl)c1[O-])[C@H](C)c1ccccc1 ZINC000775681691 1135505562 /nfs/dbraw/zinc/50/55/62/1135505562.db2.gz QCYMSNVWLYOLFF-CYBMUJFWSA-N -1 0 333.815 3.895 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cc(-n2cccc2)ccn1 ZINC000807075485 1135517670 /nfs/dbraw/zinc/51/76/70/1135517670.db2.gz AJBCAPKCBNVCQX-UHFFFAOYSA-N -1 0 336.376 3.555 20 0 EHADRM O=S(=O)([N-]c1ccccc1-c1cccnc1)c1ccc(Cl)cn1 ZINC001196250506 1135535219 /nfs/dbraw/zinc/53/52/19/1135535219.db2.gz DVWPGTZCUZYUIV-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM O=C(c1cc(Cl)c(F)cc1[O-])N1CCCC2(CC(F)C2)CC1 ZINC001196466402 1135563758 /nfs/dbraw/zinc/56/37/58/1135563758.db2.gz IPRGUCAKVGZDJI-UHFFFAOYSA-N -1 0 329.774 3.929 20 0 EHADRM C[C@H](CCc1ccccc1)NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197069884 1135646608 /nfs/dbraw/zinc/64/66/08/1135646608.db2.gz RJGQRKOMZVCWLZ-CYBMUJFWSA-N -1 0 328.437 3.693 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2cccc(C(F)(F)F)n2)cc1 ZINC001197075504 1135647226 /nfs/dbraw/zinc/64/72/26/1135647226.db2.gz PNSTYKRNOYXGHJ-UHFFFAOYSA-N -1 0 341.314 3.608 20 0 EHADRM COc1cccc(CS(=O)(=O)Nc2cc(Cl)ccc2[S-])c1 ZINC001197377375 1135687639 /nfs/dbraw/zinc/68/76/39/1135687639.db2.gz VQJRQVVRYCTIQZ-UHFFFAOYSA-N -1 0 343.857 3.579 20 0 EHADRM Cc1cc([N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)sn1 ZINC001197505213 1135701272 /nfs/dbraw/zinc/70/12/72/1135701272.db2.gz UYOFQTRKOHLXBX-UHFFFAOYSA-N -1 0 337.253 3.700 20 0 EHADRM O=S(=O)(Cc1c(F)cccc1F)Nc1cc(Cl)ccc1[S-] ZINC001197600142 1135713000 /nfs/dbraw/zinc/71/30/00/1135713000.db2.gz HDKKNPRYGXIFBC-UHFFFAOYSA-N -1 0 349.811 3.849 20 0 EHADRM Cc1csc([N-]S(=O)(=O)Cc2cccc(Cl)c2Cl)n1 ZINC001197716908 1135723569 /nfs/dbraw/zinc/72/35/69/1135723569.db2.gz WKAAWFJHTCNQKZ-UHFFFAOYSA-N -1 0 337.253 3.700 20 0 EHADRM O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1cccc(Cl)c1[O-] ZINC000775783236 1135728525 /nfs/dbraw/zinc/72/85/25/1135728525.db2.gz HTGHQBRSUXADSL-GUYCJALGSA-N -1 0 345.826 3.943 20 0 EHADRM O=S(=O)(Cc1cccc(Cl)c1Cl)[N-][C@H]1CCCC1(F)F ZINC001197766357 1135729547 /nfs/dbraw/zinc/72/95/47/1135729547.db2.gz ODHXHICWGSZFRP-JTQLQIEISA-N -1 0 344.210 3.601 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2ccccc2SC(F)(F)F)c1 ZINC001198000376 1135759893 /nfs/dbraw/zinc/75/98/93/1135759893.db2.gz VUJLTSMHTMJPSR-UHFFFAOYSA-N -1 0 348.371 3.803 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccccc2)nc1)c1cccc(Cl)n1 ZINC001198198609 1135787736 /nfs/dbraw/zinc/78/77/36/1135787736.db2.gz YYCOWXQLSIJTAM-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM O=S(=O)([N-]c1ccc2cc(F)ccc2c1)c1cccc(Cl)n1 ZINC001198233677 1135789694 /nfs/dbraw/zinc/78/96/94/1135789694.db2.gz PLZMWBXLAKEGSG-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(SC(F)(F)F)cc2)cn1 ZINC001198305429 1135797332 /nfs/dbraw/zinc/79/73/32/1135797332.db2.gz LAVCHNGUWIYLKZ-UHFFFAOYSA-N -1 0 348.371 3.803 20 0 EHADRM COc1c(Cl)cc(Cl)cc1[N-]S(=O)(=O)c1ccc(C)nc1 ZINC001198317478 1135799656 /nfs/dbraw/zinc/79/96/56/1135799656.db2.gz JEFLLMVZJOZTRG-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)c1nc([C@H]2CCC[C@H](C)C2)no1 ZINC000809343710 1135821597 /nfs/dbraw/zinc/82/15/97/1135821597.db2.gz HVZZDAWLTQENPP-DCAQKATOSA-N -1 0 333.354 3.739 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)sc2c1)c1ccc2c(c1)COC2 ZINC001198858806 1135861710 /nfs/dbraw/zinc/86/17/10/1135861710.db2.gz GITFFALZZFPNLP-UHFFFAOYSA-N -1 0 328.418 3.868 20 0 EHADRM C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000775943076 1135887916 /nfs/dbraw/zinc/88/79/16/1135887916.db2.gz PKCLSUSCQMYYLN-WCBMZHEXSA-N -1 0 344.358 3.920 20 0 EHADRM CCC(CC)CC(=O)Nc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC001131876028 1135889993 /nfs/dbraw/zinc/88/99/93/1135889993.db2.gz IEVSBGVADBDAHU-UHFFFAOYSA-N -1 0 348.340 3.769 20 0 EHADRM COc1ccccc1-n1nc(C(=O)Nc2ccccc2[S-])cc1C ZINC001199339741 1135895634 /nfs/dbraw/zinc/89/56/34/1135895634.db2.gz AUWOZOZUBZNURH-UHFFFAOYSA-N -1 0 339.420 3.730 20 0 EHADRM O=C([O-])c1c(F)cc(Nc2cc(-c3ccccn3)c[nH]c2=O)cc1F ZINC001203322064 1135913372 /nfs/dbraw/zinc/91/33/72/1135913372.db2.gz QDBDLMXBGHZBJP-UHFFFAOYSA-N -1 0 343.289 3.569 20 0 EHADRM COc1cnc(C(=O)[N-]c2c(SC)cc(C)nc2SC)c(C)c1 ZINC001199750991 1135926334 /nfs/dbraw/zinc/92/63/34/1135926334.db2.gz GDOQULYJVPCSHW-UHFFFAOYSA-N -1 0 349.481 3.798 20 0 EHADRM O=C(Nc1cc(O)cc(Cl)c1)c1cnc(Oc2ccccc2)nc1 ZINC001199773178 1135927598 /nfs/dbraw/zinc/92/75/98/1135927598.db2.gz NFROTOKINRQCRH-UHFFFAOYSA-N -1 0 341.754 3.880 20 0 EHADRM CC(C)(C)CCC(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000121547521 1135929628 /nfs/dbraw/zinc/92/96/28/1135929628.db2.gz AJQOXBKOEXCVRJ-UHFFFAOYSA-N -1 0 344.285 3.686 20 0 EHADRM CC(C)c1nc(S(=O)(=O)[N-]c2ccccc2SC(F)F)c[nH]1 ZINC000747597499 1135937191 /nfs/dbraw/zinc/93/71/91/1135937191.db2.gz ZFWJWMVAHBDZIX-UHFFFAOYSA-N -1 0 347.412 3.649 20 0 EHADRM CCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000776069691 1135946952 /nfs/dbraw/zinc/94/69/52/1135946952.db2.gz NHDNKPWTWOXWGW-HNNXBMFYSA-N -1 0 325.474 3.715 20 0 EHADRM CCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1cc(C)sc1C ZINC000776084077 1135951694 /nfs/dbraw/zinc/95/16/94/1135951694.db2.gz ICOWYAAMDVMOPU-CYBMUJFWSA-N -1 0 331.503 3.776 20 0 EHADRM CC(C)c1ccc(NC(=O)C(=O)[N-]OC/C=C/Cl)c(C(C)C)c1 ZINC000810498553 1135966522 /nfs/dbraw/zinc/96/65/22/1135966522.db2.gz JKCKNBACGUQWGQ-VMPITWQZSA-N -1 0 338.835 3.672 20 0 EHADRM Cc1noc(C)c1[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1F ZINC001201252195 1135999185 /nfs/dbraw/zinc/99/91/85/1135999185.db2.gz UBZYXUKGFGDZFX-UHFFFAOYSA-N -1 0 339.175 3.538 20 0 EHADRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ncc(F)s2)c(C)c1C ZINC001201791914 1136062820 /nfs/dbraw/zinc/06/28/20/1136062820.db2.gz FDFSYFRBIGGLQS-UHFFFAOYSA-N -1 0 328.434 3.625 20 0 EHADRM CCc1cccnc1[N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC001201793116 1136062905 /nfs/dbraw/zinc/06/29/05/1136062905.db2.gz XTELISQVUIPSQC-UHFFFAOYSA-N -1 0 332.469 3.987 20 0 EHADRM CCN(CCC1CC1)C(=O)c1cc(Br)cc(F)c1[O-] ZINC000867413135 1136074320 /nfs/dbraw/zinc/07/43/20/1136074320.db2.gz WTUAQXZEAFCZBA-UHFFFAOYSA-N -1 0 330.197 3.556 20 0 EHADRM CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cccc(Cl)c2[O-])cc1 ZINC000776231097 1136083845 /nfs/dbraw/zinc/08/38/45/1136083845.db2.gz LIKSCRQKSXIADB-NSHDSACASA-N -1 0 346.814 3.826 20 0 EHADRM Cc1ccccc1NC(=O)Nc1cc(S(=O)(=O)[O-])ccc1Cl ZINC001202187536 1136107486 /nfs/dbraw/zinc/10/74/86/1136107486.db2.gz WRNJNIQQUAIXON-UHFFFAOYSA-N -1 0 340.788 3.539 20 0 EHADRM C[C@H](CCc1ccccc1)NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811812738 1136139985 /nfs/dbraw/zinc/13/99/85/1136139985.db2.gz YOUFVURKOUSWLC-GFCCVEGCSA-N -1 0 331.799 3.789 20 0 EHADRM CCOc1cc(NC(=O)c2cc(C(=O)[O-])ccc2Cl)ccc1C ZINC000811820181 1136145322 /nfs/dbraw/zinc/14/53/22/1136145322.db2.gz QMWZYJRRIXRWPS-UHFFFAOYSA-N -1 0 333.771 3.998 20 0 EHADRM CC(=O)Nc1ccc(C)c(NC(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000811823194 1136145996 /nfs/dbraw/zinc/14/59/96/1136145996.db2.gz ONCLXKGDKDLOSY-UHFFFAOYSA-N -1 0 346.770 3.557 20 0 EHADRM CCOc1ccc(C(C)(C)C(=O)[N-]OC/C=C/Cl)cc1OCC ZINC000812404847 1136202072 /nfs/dbraw/zinc/20/20/72/1136202072.db2.gz KUJNUSGMPDEKDA-JXMROGBWSA-N -1 0 341.835 3.562 20 0 EHADRM C[C@@H](Sc1nc2ccccc2s1)C(=O)[N-]OC/C=C/Cl ZINC000812408014 1136209323 /nfs/dbraw/zinc/20/93/23/1136209323.db2.gz LVIAPWLJJNJOPO-ILFKPUCNSA-N -1 0 328.846 3.577 20 0 EHADRM O=C([N-]S(=O)(=O)/C=C\c1ccccc1)[C@H]1CC[C@H](C2CCC2)CC1 ZINC000850737381 1136298468 /nfs/dbraw/zinc/29/84/68/1136298468.db2.gz PGRBCFJDHWVHBG-IYRWJDLCSA-N -1 0 347.480 3.710 20 0 EHADRM O=C(O[C@@H]1C[C@H]([N-]C(=O)C(F)(F)F)c2ccccc21)C1CCCC1 ZINC000851175054 1136346086 /nfs/dbraw/zinc/34/60/86/1136346086.db2.gz DFELLLJTTSQDEH-UONOGXRCSA-N -1 0 341.329 3.584 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@@H]1CCC[C@H](C)C1 ZINC000814015478 1136386792 /nfs/dbraw/zinc/38/67/92/1136386792.db2.gz XEWFPYBXRULWOQ-ZMSDIMECSA-N -1 0 337.485 3.800 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N2CCCC[C@@H]2Cc2ccccc2)o1 ZINC000851593620 1136394843 /nfs/dbraw/zinc/39/48/43/1136394843.db2.gz BDMSTRRZLWPSOR-UILAEWCASA-N -1 0 339.391 3.615 20 0 EHADRM C/C(=C/C(=O)N(CCCC(=O)[O-])Cc1ccccc1)c1ccco1 ZINC000851602002 1136395842 /nfs/dbraw/zinc/39/58/42/1136395842.db2.gz ZTNMBHFKVIONAY-SQFISAMPSA-N -1 0 327.380 3.577 20 0 EHADRM Cc1cccc(C[C@@H](CNC(=O)c2ccccc2C(C)C)C(=O)[O-])c1 ZINC000851600478 1136395884 /nfs/dbraw/zinc/39/58/84/1136395884.db2.gz VGGHKGVJIMHWDP-KRWDZBQOSA-N -1 0 339.435 3.792 20 0 EHADRM CC(C)c1ccccc1C(=O)N[C@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000851607037 1136396171 /nfs/dbraw/zinc/39/61/71/1136396171.db2.gz UWEVANSZSHHPCM-BEFAXECRSA-N -1 0 339.435 3.872 20 0 EHADRM CC(C)c1ccc2c(c1)CN(C(=O)c1ccc(/C=C/C(=O)[O-])o1)CC2 ZINC000851616974 1136396242 /nfs/dbraw/zinc/39/62/42/1136396242.db2.gz ZEZFHFCNIJWBCO-SOFGYWHQSA-N -1 0 339.391 3.699 20 0 EHADRM C/C(=C/C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1)c1ccco1 ZINC000851694757 1136399782 /nfs/dbraw/zinc/39/97/82/1136399782.db2.gz PVOAAXRINFLEIY-YPKPFQOOSA-N -1 0 339.391 3.787 20 0 EHADRM C/C(=C/C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1F)C(C)(C)C ZINC000776655586 1136526545 /nfs/dbraw/zinc/52/65/45/1136526545.db2.gz XQKPTOLEIFEKSD-YHAOYDPOSA-N -1 0 325.355 3.589 20 0 EHADRM Cc1cc(C)cc(NC(=O)[C@@H](C)OC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000854606639 1136631603 /nfs/dbraw/zinc/63/16/03/1136631603.db2.gz LEHVPLNGPVRBNJ-GFCCVEGCSA-N -1 0 347.798 3.846 20 0 EHADRM O=C(NC[C@H]1CCCCC1(F)F)c1ccc2oc(=S)[n-]c2c1 ZINC000854687762 1136636725 /nfs/dbraw/zinc/63/67/25/1136636725.db2.gz JJAYYINYQIMUKR-SNVBAGLBSA-N -1 0 326.368 3.672 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)[C@@H](CCc1ccccc1)C(C)C ZINC000815948820 1136657149 /nfs/dbraw/zinc/65/71/49/1136657149.db2.gz VPCXFOJABCDFQE-KRWDZBQOSA-N -1 0 339.501 3.526 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C1CCCCCC1 ZINC000816112639 1136677715 /nfs/dbraw/zinc/67/77/15/1136677715.db2.gz ZBVXZQQYZCOBOV-QGZVFWFLSA-N -1 0 337.485 3.800 20 0 EHADRM CCC(C)(CC)C(=O)[N-]S(=O)(=O)[C@@H](c1ccccc1)C(C)C ZINC000816112799 1136677733 /nfs/dbraw/zinc/67/77/33/1136677733.db2.gz CMNMRYBVMZCWOM-OAHLLOKOSA-N -1 0 325.474 3.656 20 0 EHADRM COc1cc(Cl)c(C)cc1NC(=O)c1cc(F)cc(F)c1[O-] ZINC001135484227 1136695030 /nfs/dbraw/zinc/69/50/30/1136695030.db2.gz XOIFJSSDXWGGPW-UHFFFAOYSA-N -1 0 327.714 3.893 20 0 EHADRM Oc1ccc(F)c(CN2CCC[C@@H]2C[C@H](O)c2cccs2)c1F ZINC000816520557 1136732957 /nfs/dbraw/zinc/73/29/57/1136732957.db2.gz RYHCHROIMIAHET-ABAIWWIYSA-N -1 0 339.407 3.820 20 0 EHADRM CC(=CC(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1)c1cccc(F)c1 ZINC000816752265 1136751866 /nfs/dbraw/zinc/75/18/66/1136751866.db2.gz WTWPXKZJBGUXCN-ZRDIBKRKSA-N -1 0 337.354 3.963 20 0 EHADRM O=C(NCc1nc2ccccc2s1)c1ccc2oc(=S)[n-]c2c1 ZINC000816804978 1136755303 /nfs/dbraw/zinc/75/53/03/1136755303.db2.gz LCHFUZODQSSGFL-UHFFFAOYSA-N -1 0 341.417 3.656 20 0 EHADRM CCc1nc([C@@H](C)NC(=O)c2ccc3oc(=S)[n-]c3c2)cs1 ZINC000816923434 1136763846 /nfs/dbraw/zinc/76/38/46/1136763846.db2.gz ICRCABIBUGJCGB-MRVPVSSYSA-N -1 0 333.438 3.626 20 0 EHADRM O=C(N=c1[n-]nc(-c2cccc(Cl)c2)s1)N1CC[C@@H]2CCC[C@H]21 ZINC000429532134 1136788164 /nfs/dbraw/zinc/78/81/64/1136788164.db2.gz TXFSXAKEQUIUCR-GXFFZTMASA-N -1 0 348.859 3.687 20 0 EHADRM O=C([O-])CC1(CC(=O)NCC[C@H]2CC2(Cl)Cl)CCCCC1 ZINC000856718545 1136802565 /nfs/dbraw/zinc/80/25/65/1136802565.db2.gz MMZSZAZHMQEWKH-NSHDSACASA-N -1 0 336.259 3.502 20 0 EHADRM CCOc1ccc(-c2nc(CC(=O)[N-]OCCC3CC3)cs2)cc1 ZINC000817399451 1136804577 /nfs/dbraw/zinc/80/45/77/1136804577.db2.gz MDSNBHHUTCLBDF-UHFFFAOYSA-N -1 0 346.452 3.599 20 0 EHADRM COc1ccccc1CO[N-]C(=O)C1(c2c(F)cccc2F)CCC1 ZINC000817599629 1136829291 /nfs/dbraw/zinc/82/92/91/1136829291.db2.gz JBCPDCADNSFMLZ-UHFFFAOYSA-N -1 0 347.361 3.643 20 0 EHADRM COc1ccc(NC(=O)c2ccc(O)cc2O)cc1Cc1ccccc1 ZINC001136098219 1136856453 /nfs/dbraw/zinc/85/64/53/1136856453.db2.gz ZATAWLFTQCBTQD-UHFFFAOYSA-N -1 0 349.386 3.950 20 0 EHADRM CN(CCc1ccccc1F)C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000857449786 1136872372 /nfs/dbraw/zinc/87/23/72/1136872372.db2.gz PASNEKXJRPRGJO-UHFFFAOYSA-N -1 0 341.304 3.865 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)NCc2ccc(C)cc2C)n1 ZINC001136181783 1136906194 /nfs/dbraw/zinc/90/61/94/1136906194.db2.gz YTXPDGMCQNMVDW-UHFFFAOYSA-N -1 0 349.434 3.687 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N[C@H]2CCCC[C@H]2CC)n1 ZINC001136190708 1136916678 /nfs/dbraw/zinc/91/66/78/1136916678.db2.gz NBGWSLPMUHPQPS-ZBFHGGJFSA-N -1 0 341.455 3.839 20 0 EHADRM C[C@H]1CCC[C@@H](NC(=O)c2cc(Br)c(F)cc2[O-])C1 ZINC001136204660 1136929698 /nfs/dbraw/zinc/92/96/98/1136929698.db2.gz VFOCKBBRYIIKPB-DTWKUNHWSA-N -1 0 330.197 3.602 20 0 EHADRM Cc1cc(-n2[n-]c(-c3ccsc3)cc2=O)ncc1Br ZINC001245949401 1136958434 /nfs/dbraw/zinc/95/84/34/1136958434.db2.gz QXYWHLXCVNNYFJ-UHFFFAOYSA-N -1 0 336.214 3.772 20 0 EHADRM O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(Cl)c([O-])c1 ZINC001136282738 1136968685 /nfs/dbraw/zinc/96/86/85/1136968685.db2.gz WOZRCFJGGIJEQB-OAHLLOKOSA-N -1 0 347.798 3.856 20 0 EHADRM O=C(NCCCCOCCc1ccccc1)c1ccc(Cl)c([O-])c1 ZINC001136312678 1136982261 /nfs/dbraw/zinc/98/22/61/1136982261.db2.gz NZMMTSGIHXSMKY-UHFFFAOYSA-N -1 0 347.842 3.815 20 0 EHADRM CCCOc1ccc(NC(=O)c2cc(C)cc(C=O)c2[O-])c(C)c1 ZINC001136342377 1136994421 /nfs/dbraw/zinc/99/44/21/1136994421.db2.gz NMHXLGJJROKTID-UHFFFAOYSA-N -1 0 327.380 3.863 20 0 EHADRM Cc1nc([O-])[nH]c(=S)c1C(=O)Nc1cccc(-c2cccs2)c1 ZINC001136533938 1137048166 /nfs/dbraw/zinc/04/81/66/1137048166.db2.gz UKYYPLVZIIILIL-UHFFFAOYSA-N -1 0 343.433 3.760 20 0 EHADRM CC[C@@H](C(=O)[N-]OCC(F)(F)F)c1ccc(Br)cc1 ZINC000860201469 1137049144 /nfs/dbraw/zinc/04/91/44/1137049144.db2.gz LDZCOZGMGSGMSI-SNVBAGLBSA-N -1 0 340.139 3.553 20 0 EHADRM CC(C)CO[N-]C(=O)C(C)(C)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000860346187 1137056761 /nfs/dbraw/zinc/05/67/61/1137056761.db2.gz VYPBKIOLXWPBKA-ZDUSSCGKSA-N -1 0 334.243 3.757 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc(F)c(F)c2F)CCCCCC1 ZINC000013253234 1137060363 /nfs/dbraw/zinc/06/03/63/1137060363.db2.gz MJIOPEKTMIVJBT-UHFFFAOYSA-N -1 0 329.318 3.858 20 0 EHADRM CCC[C@@H]1CCCC[C@H]1NC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC001136622734 1137072191 /nfs/dbraw/zinc/07/21/91/1137072191.db2.gz RIXZOAQEXASOLT-GDBMZVCRSA-N -1 0 327.428 3.667 20 0 EHADRM Cc1cccc(CSCC(=O)Nc2c(C)cccc2C(=O)[O-])c1 ZINC000013431924 1137082152 /nfs/dbraw/zinc/08/21/52/1137082152.db2.gz MWWGBBFJYDVEHC-UHFFFAOYSA-N -1 0 329.421 3.874 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])CCC1(F)F ZINC000823001785 1137082995 /nfs/dbraw/zinc/08/29/95/1137082995.db2.gz OQLSXKLWZDXUEL-LLVKDONJSA-N -1 0 349.333 3.582 20 0 EHADRM CCCOc1ccc(NC(=O)c2nc[nH]c2C(F)(F)F)c(C)c1 ZINC000823059392 1137084342 /nfs/dbraw/zinc/08/43/42/1137084342.db2.gz YNTOZPMNPAPJKT-UHFFFAOYSA-N -1 0 327.306 3.778 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)c2sccc2SC(F)F)C1 ZINC000823354673 1137095986 /nfs/dbraw/zinc/09/59/86/1137095986.db2.gz XAPZRFVIFPVHCE-CQSZACIVSA-N -1 0 349.424 3.636 20 0 EHADRM Cc1cc(N(C)C)ccc1NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000118773235 1137131417 /nfs/dbraw/zinc/13/14/17/1137131417.db2.gz JAFHALYNDIXERM-UHFFFAOYSA-N -1 0 327.409 3.743 20 0 EHADRM CC[C@@](C)(NC(=O)c1cccc(C(F)(F)F)c1[O-])c1nccs1 ZINC001136872637 1137137107 /nfs/dbraw/zinc/13/71/07/1137137107.db2.gz WINYFBIEHXRTNU-CQSZACIVSA-N -1 0 344.358 3.923 20 0 EHADRM CCc1ccc(CNc2cc(C)cc(C[N-]C(=O)C(F)(F)F)c2)o1 ZINC000825011009 1137160752 /nfs/dbraw/zinc/16/07/52/1137160752.db2.gz BTOCCNBFPRCBPI-UHFFFAOYSA-N -1 0 340.345 3.941 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863241360 1137176644 /nfs/dbraw/zinc/17/66/44/1137176644.db2.gz JXLWBGRCMPSYJJ-SGMGOOAPSA-N -1 0 347.336 3.685 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2scnc2C(C)C)c(F)c1F ZINC000863411007 1137185543 /nfs/dbraw/zinc/18/55/43/1137185543.db2.gz RDSWJCLMXORLIA-UHFFFAOYSA-N -1 0 332.397 3.654 20 0 EHADRM CCCCc1ncc(CN2CC[C@@H]2C)n1Cc1ccc(C(=O)[O-])cc1 ZINC001143748612 1137195924 /nfs/dbraw/zinc/19/59/24/1137195924.db2.gz TXYBYBTUFJFRJT-HNNXBMFYSA-N -1 0 341.455 3.566 20 0 EHADRM CCCO[N-]C(=O)C(C)(C)c1csc(-c2cc(F)ccc2F)n1 ZINC000844088151 1137196921 /nfs/dbraw/zinc/19/69/21/1137196921.db2.gz KYAYGXQXWBRDJO-UHFFFAOYSA-N -1 0 340.395 3.824 20 0 EHADRM CCOc1cc(CC(=O)[O-])c(-c2ccc(C=O)cc2)cc1OCC ZINC000863973928 1137209691 /nfs/dbraw/zinc/20/96/91/1137209691.db2.gz UHYMDNTZBNFVMJ-UHFFFAOYSA-N -1 0 328.364 3.591 20 0 EHADRM Cc1c(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)sc2c1CCCC2 ZINC000864113231 1137215755 /nfs/dbraw/zinc/21/57/55/1137215755.db2.gz NABWBOPJMMBKTO-CLFYSBASSA-N -1 0 331.393 3.878 20 0 EHADRM CCn1cc(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])c(C2CC2)n1 ZINC000864117085 1137215984 /nfs/dbraw/zinc/21/59/84/1137215984.db2.gz ZSXVNRUQLMLPQI-UHFFFAOYSA-N -1 0 349.390 3.884 20 0 EHADRM O=C([O-])C1(CNC(=O)/C=C/c2csc(C(F)(F)F)c2)CCCC1 ZINC000864122053 1137216206 /nfs/dbraw/zinc/21/62/06/1137216206.db2.gz LWZTZTFXFXKXAW-ONEGZZNKSA-N -1 0 347.358 3.541 20 0 EHADRM C[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1)C(F)(F)F ZINC000864127117 1137216218 /nfs/dbraw/zinc/21/62/18/1137216218.db2.gz PXIADDFHMRWIEK-GZMMTYOYSA-N -1 0 337.725 3.561 20 0 EHADRM C[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1)c1ccco1 ZINC000864126039 1137216221 /nfs/dbraw/zinc/21/62/21/1137216221.db2.gz DHGWCNIRFIKDMH-RISCZKNCSA-N -1 0 335.787 3.759 20 0 EHADRM CCCCC[C@@H](NC(=O)[C@H](C)Cc1cncc2ccccc21)C(=O)[O-] ZINC000864125869 1137216291 /nfs/dbraw/zinc/21/62/91/1137216291.db2.gz KBMBOPLWJWKSTL-RDTXWAMCSA-N -1 0 342.439 3.563 20 0 EHADRM CC(C)Oc1ccccc1[C@@H](C)NC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000864125330 1137216333 /nfs/dbraw/zinc/21/63/33/1137216333.db2.gz UAWPFNIKKFNZSV-MMQHEFTJSA-N -1 0 343.379 3.656 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)Cc2cc(Cl)cc3ccccc32)CC1 ZINC000864130809 1137216532 /nfs/dbraw/zinc/21/65/32/1137216532.db2.gz NFUYIXBFPVJCSA-UHFFFAOYSA-N -1 0 345.826 3.749 20 0 EHADRM Cc1cc(C)c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2F)s1 ZINC000864127177 1137216543 /nfs/dbraw/zinc/21/65/43/1137216543.db2.gz YLUWYPAGGKDDGJ-ZDUSSCGKSA-N -1 0 339.363 3.589 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)/C=C\c1ccsc1C(F)(F)F ZINC000864140476 1137216829 /nfs/dbraw/zinc/21/68/29/1137216829.db2.gz AWFGNYJONMBOTE-WSNITJDQSA-N -1 0 349.374 3.786 20 0 EHADRM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)/C=C/c2cc(C(=O)[O-])co2)C1 ZINC000864137865 1137216872 /nfs/dbraw/zinc/21/68/72/1137216872.db2.gz MZBASCJTBFQCIB-ASTIABHMSA-N -1 0 343.354 3.740 20 0 EHADRM Cc1cccc(C)c1[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000864152659 1137217381 /nfs/dbraw/zinc/21/73/81/1137217381.db2.gz MHYOEBRBJDXJPV-SLWQEBJJSA-N -1 0 339.391 3.972 20 0 EHADRM CCCCN(C(=O)/C=C\c1ccc(C(=O)[O-])o1)[C@@H]1CCCC[C@H]1OC ZINC000864179498 1137218058 /nfs/dbraw/zinc/21/80/58/1137218058.db2.gz XZOAJQFMSKBSHP-NLNHSMHESA-N -1 0 349.427 3.577 20 0 EHADRM CC(C)(NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccc2ccccc2c1 ZINC000864179273 1137218065 /nfs/dbraw/zinc/21/80/65/1137218065.db2.gz TWAQSNKOYBNWPE-CVEARBPZSA-N -1 0 325.408 3.692 20 0 EHADRM Cc1ccc(N(CC2CC2)C(=O)c2cccc(CC(=O)[O-])c2)cc1F ZINC000864179434 1137218159 /nfs/dbraw/zinc/21/81/59/1137218159.db2.gz VKIHEKHXVKDOBU-UHFFFAOYSA-N -1 0 341.382 3.818 20 0 EHADRM COc1ccc2c(c1)N(C(=O)c1ccc(C)c(C(=O)[O-])c1)CCCC2 ZINC000864179812 1137218189 /nfs/dbraw/zinc/21/81/89/1137218189.db2.gz FTJXLVJXTXOPBQ-UHFFFAOYSA-N -1 0 339.391 3.685 20 0 EHADRM CCc1ccc(N(CC2CC2)C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC000864188647 1137218424 /nfs/dbraw/zinc/21/84/24/1137218424.db2.gz JHDXFRKRFLTINY-QAQDUYKDSA-N -1 0 329.440 3.883 20 0 EHADRM C[C@H](C(=O)N[C@@](C)(Cc1ccc(Cl)cc1)C(=O)[O-])c1ccccc1 ZINC000864196244 1137218532 /nfs/dbraw/zinc/21/85/32/1137218532.db2.gz OCIIZBSTAHDFPO-DJJJIMSYSA-N -1 0 345.826 3.646 20 0 EHADRM O=C([O-])C1CC(NC(=O)c2ccc(CSc3ccccc3)cc2)C1 ZINC000864202298 1137218800 /nfs/dbraw/zinc/21/88/00/1137218800.db2.gz BTINOZFLNIODMF-UHFFFAOYSA-N -1 0 341.432 3.572 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)CCc1cccc2ccccc21)C1CC1 ZINC000864200637 1137218889 /nfs/dbraw/zinc/21/88/89/1137218889.db2.gz BWCPZNDEDMBUQY-FQEVSTJZSA-N -1 0 325.408 3.532 20 0 EHADRM Cc1ccc(C(=O)NC2CC(C(=O)[O-])C2)c(Sc2ccccc2)c1 ZINC000864208094 1137218985 /nfs/dbraw/zinc/21/89/85/1137218985.db2.gz WKAPRQIFSIHYIM-UHFFFAOYSA-N -1 0 341.432 3.739 20 0 EHADRM Cc1cc(C(=O)N[C@H](CC(=O)[O-])c2cccc(C)c2)c(C)n1C(C)C ZINC000864228560 1137219267 /nfs/dbraw/zinc/21/92/67/1137219267.db2.gz OQJLSPJEXLHFMM-GOSISDBHSA-N -1 0 342.439 3.940 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)c2cnc(C(C)(C)C)s2)c1 ZINC000864227525 1137219381 /nfs/dbraw/zinc/21/93/81/1137219381.db2.gz DGGDNJACTXOGJP-ZDUSSCGKSA-N -1 0 346.452 3.695 20 0 EHADRM Cc1ccccc1C[C@@H](C)C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000864227616 1137219402 /nfs/dbraw/zinc/21/94/02/1137219402.db2.gz GPCOHWCHLXGXAI-WBVHZDCISA-N -1 0 337.419 3.779 20 0 EHADRM C[C@H]1CCCc2ncc(C(=O)Nc3cc4ccccc4c(C(=O)[O-])c3)n21 ZINC000864225747 1137219455 /nfs/dbraw/zinc/21/94/55/1137219455.db2.gz ZNCXDOORHDLWGJ-LBPRGKRZSA-N -1 0 349.390 3.884 20 0 EHADRM CC(C)=CC[C@@H](NCc1csc(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000864527658 1137232650 /nfs/dbraw/zinc/23/26/50/1137232650.db2.gz FHQYRYPCTDAHHX-OAHLLOKOSA-N -1 0 334.416 3.848 20 0 EHADRM CN(C(=O)Nc1ccc(F)c(C(F)F)c1)C1(C(=O)[O-])CCCC1 ZINC000864585141 1137235606 /nfs/dbraw/zinc/23/56/06/1137235606.db2.gz RLYJMQKPKRYXME-UHFFFAOYSA-N -1 0 330.306 3.624 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)Nc2ccc(F)c(C(F)F)c2)CC1 ZINC000864607167 1137236487 /nfs/dbraw/zinc/23/64/87/1137236487.db2.gz LOWQSGBFJMCOGV-UHFFFAOYSA-N -1 0 344.333 3.872 20 0 EHADRM CCCn1ccc2ccc([N-]S(=O)(=O)c3cnc(C)s3)cc21 ZINC000339070541 1137241723 /nfs/dbraw/zinc/24/17/23/1137241723.db2.gz AIZTUZSZIQTRIQ-UHFFFAOYSA-N -1 0 335.454 3.617 20 0 EHADRM COC(=O)c1ccc([C@H]2CCCN2Cc2c(F)cc(O)cc2F)cc1 ZINC001144567459 1137311163 /nfs/dbraw/zinc/31/11/63/1137311163.db2.gz LHPCWGOXGYSKQH-GOSISDBHSA-N -1 0 347.361 3.794 20 0 EHADRM CC(C)(C)CCCCCC(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12 ZINC001144682832 1137329058 /nfs/dbraw/zinc/32/90/58/1137329058.db2.gz WWRMLVHVVOOHSU-UHFFFAOYSA-N -1 0 331.416 3.976 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(SC(C)(C)C)c(F)c1)C(=O)[O-] ZINC000846799073 1137368057 /nfs/dbraw/zinc/36/80/57/1137368057.db2.gz WDJLKMGCFONDTG-SECBINFHSA-N -1 0 328.409 3.559 20 0 EHADRM CCOC(=O)/C(=C\c1ccc(C(=O)[O-])cc1Cl)c1ncccc1C ZINC000794950317 1137377686 /nfs/dbraw/zinc/37/76/86/1137377686.db2.gz TUVKIUJKSPGGLJ-ZROIWOOFSA-N -1 0 345.782 3.845 20 0 EHADRM COc1cccc(O)c1C(=O)NCCCc1ccc(C(C)C)cc1 ZINC001146290160 1137388497 /nfs/dbraw/zinc/38/84/97/1137388497.db2.gz DSPZAXMMVMAESC-UHFFFAOYSA-N -1 0 327.424 3.887 20 0 EHADRM O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)c1ccc(Cl)c([O-])c1 ZINC001146398536 1137389930 /nfs/dbraw/zinc/38/99/30/1137389930.db2.gz IUPUVMJYMJHAGF-AWEZNQCLSA-N -1 0 348.805 3.584 20 0 EHADRM O=C(c1cc(Br)cc(F)c1[O-])N(CC1CC1)C1CCC1 ZINC000867955576 1137391099 /nfs/dbraw/zinc/39/10/99/1137391099.db2.gz CTVZSMWJARUMFZ-UHFFFAOYSA-N -1 0 342.208 3.699 20 0 EHADRM C[C@@H](CCC(C)(C)C)NC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC001147199367 1137401972 /nfs/dbraw/zinc/40/19/72/1137401972.db2.gz XNFNLKBGDYZODD-LBPRGKRZSA-N -1 0 333.407 3.662 20 0 EHADRM Cc1c(Cl)cc(NC(=O)c2ccc[nH]c2=S)c([O-])c1Cl ZINC001147680993 1137410873 /nfs/dbraw/zinc/41/08/73/1137410873.db2.gz TWVAQTAJRGQZGI-UHFFFAOYSA-N -1 0 329.208 3.943 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C2([C@@H]3CCCCO3)CCC2)c1 ZINC000868488041 1137411592 /nfs/dbraw/zinc/41/15/92/1137411592.db2.gz UOIFCBBQFNUBMC-KRWDZBQOSA-N -1 0 331.412 3.663 20 0 EHADRM O=C(c1ccc(O)cc1F)N1CC(Cc2c(F)cccc2Cl)C1 ZINC001148014392 1137416400 /nfs/dbraw/zinc/41/64/00/1137416400.db2.gz JJCRRCKZBWCZDA-UHFFFAOYSA-N -1 0 337.753 3.639 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@H](C(C)C)C3CC3)n2)cc1 ZINC001148374979 1137423601 /nfs/dbraw/zinc/42/36/01/1137423601.db2.gz JXUGKTYEAFRAHI-GOSISDBHSA-N -1 0 341.455 3.866 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCC[C@@H](c2cccnc2)C1 ZINC000869051111 1137434736 /nfs/dbraw/zinc/43/47/36/1137434736.db2.gz RBPCOCMSBSOMDZ-GFCCVEGCSA-N -1 0 334.778 3.600 20 0 EHADRM CC1(C)CN(C(=O)c2cc(Cl)cc(Cl)c2[O-])CC(C)(C)O1 ZINC001148815666 1137435788 /nfs/dbraw/zinc/43/57/88/1137435788.db2.gz UORIASDISFFPAS-UHFFFAOYSA-N -1 0 332.227 3.729 20 0 EHADRM CCc1oc(C(=O)N(C)Cc2cc3ccccc3o2)cc1C(=O)[O-] ZINC000339089033 1137437577 /nfs/dbraw/zinc/43/75/77/1137437577.db2.gz PNDABXYLCCONIY-UHFFFAOYSA-N -1 0 327.336 3.559 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1ccnc(-n2cccc2)c1 ZINC001149801920 1137480294 /nfs/dbraw/zinc/48/02/94/1137480294.db2.gz FLWVWVKKGKNVPU-UHFFFAOYSA-N -1 0 336.376 3.555 20 0 EHADRM [O-]C(c1nc(-c2cccc(Cl)c2)no1)(C(F)(F)F)C(F)(F)F ZINC001248006296 1137481272 /nfs/dbraw/zinc/48/12/72/1137481272.db2.gz LLTBOAXWDBDBPF-UHFFFAOYSA-N -1 0 346.614 3.702 20 0 EHADRM COc1cc(OC)c(OC)cc1CNc1ccc(C)c(C(=O)[O-])c1C ZINC000871884570 1137562457 /nfs/dbraw/zinc/56/24/57/1137562457.db2.gz BHBBWGFZOHDKMQ-UHFFFAOYSA-N -1 0 345.395 3.640 20 0 EHADRM CSc1nc(Cl)cc(-n2[n-]c3c(c2=O)C[C@@H](C(C)C)CC3)n1 ZINC000871957577 1137563675 /nfs/dbraw/zinc/56/36/75/1137563675.db2.gz XFMYFRUMOCRPPC-UWVGGRQHSA-N -1 0 338.864 3.627 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cccc3cnccc32)noc1C(C)(C)C ZINC000872007040 1137564380 /nfs/dbraw/zinc/56/43/80/1137564380.db2.gz HUFKJIYCLLVQBJ-UHFFFAOYSA-N -1 0 345.424 3.630 20 0 EHADRM Cc1c([N-]S(=O)(=O)/C=C/c2ccccc2F)noc1C(C)(C)C ZINC000872007036 1137564432 /nfs/dbraw/zinc/56/44/32/1137564432.db2.gz HKNHVTGBIUYRMM-MDZDMXLPSA-N -1 0 338.404 3.832 20 0 EHADRM C[C@H](N[C@H](CO)c1cccc(C(F)(F)F)c1)c1cccc(O)c1F ZINC000872093440 1137570853 /nfs/dbraw/zinc/57/08/53/1137570853.db2.gz VVXUKOPGWXXTML-IINYFYTJSA-N -1 0 343.320 3.934 20 0 EHADRM Cc1ccc(CN2CCO[C@H](c3ccccc3Cl)C2)cc1C(=O)[O-] ZINC000872156553 1137574203 /nfs/dbraw/zinc/57/42/03/1137574203.db2.gz BWUUXCSFZSMOJH-SFHVURJKSA-N -1 0 345.826 3.920 20 0 EHADRM CC(C)[C@@H](CC(=O)N1CC[C@]2(C(=O)[O-])CCC[C@H]12)c1ccccc1 ZINC000872766433 1137584010 /nfs/dbraw/zinc/58/40/10/1137584010.db2.gz GFOCFXWONMIJNR-FUHIMQAGSA-N -1 0 329.440 3.672 20 0 EHADRM CSc1ccccc1NC(=O)C[C@]1(C(=O)[O-])CCc2ccccc21 ZINC000872831262 1137585139 /nfs/dbraw/zinc/58/51/39/1137585139.db2.gz MFZLRTDXWAYTFH-LJQANCHMSA-N -1 0 341.432 3.706 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000872833928 1137585209 /nfs/dbraw/zinc/58/52/09/1137585209.db2.gz YRNXVJBLMSYLGX-AWEZNQCLSA-N -1 0 341.860 3.504 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(C2SCCS2)c1 ZINC000872833981 1137585298 /nfs/dbraw/zinc/58/52/98/1137585298.db2.gz ZRNHNIWKKDPAPI-QWHCGFSZSA-N -1 0 337.466 3.605 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)N[C@@H](C)c1csc2ccccc21 ZINC000872843706 1137585333 /nfs/dbraw/zinc/58/53/33/1137585333.db2.gz OVIUEVMCSKHGBO-AXFHLTTASA-N -1 0 337.466 3.673 20 0 EHADRM CCC[C@H](NC(=O)C(C)(C)SCC(=O)[O-])c1ccc(F)cc1F ZINC000872848213 1137585422 /nfs/dbraw/zinc/58/54/22/1137585422.db2.gz IDCSIJOTHDYNDK-ZDUSSCGKSA-N -1 0 345.411 3.519 20 0 EHADRM O=C([O-])[C@]1(CC(=O)N2CCC[C@@H]2c2ccccc2)CCc2ccccc21 ZINC000872889668 1137586038 /nfs/dbraw/zinc/58/60/38/1137586038.db2.gz BREIWAZMOIQCSK-KNQAVFIVSA-N -1 0 349.430 3.709 20 0 EHADRM Cc1ccc(C)c(C(=O)NCc2cccc(OC(C)C)c2)c1C(=O)[O-] ZINC000872891558 1137586232 /nfs/dbraw/zinc/58/62/32/1137586232.db2.gz RNWBODNWWHFCFQ-UHFFFAOYSA-N -1 0 341.407 3.719 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000872901662 1137586337 /nfs/dbraw/zinc/58/63/37/1137586337.db2.gz GMOJZOGJPMOERK-MRXNPFEDSA-N -1 0 347.480 3.651 20 0 EHADRM C[C@](CC(=O)N[C@H]1C=CCC1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000872981562 1137587471 /nfs/dbraw/zinc/58/74/71/1137587471.db2.gz FBBCUGCZRUCMGL-MEDUHNTESA-N -1 0 342.222 3.561 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)N1CCCCC[C@H]1c1ccco1 ZINC000874410055 1137613791 /nfs/dbraw/zinc/61/37/91/1137613791.db2.gz IAQXBDPYDKKEFT-INIZCTEOSA-N -1 0 342.395 3.805 20 0 EHADRM C[C@@]1(C(F)(F)F)CCN(C(=O)c2ccc3oc(=S)[n-]c3c2)C1 ZINC000874477469 1137615100 /nfs/dbraw/zinc/61/51/00/1137615100.db2.gz QKBQYAUZMWDLEU-CYBMUJFWSA-N -1 0 330.331 3.531 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)Nc3cccc(C(=O)[O-])c3)o2)cc1 ZINC000874971104 1137627349 /nfs/dbraw/zinc/62/73/49/1137627349.db2.gz PWOPPUZRZBNNGS-UHFFFAOYSA-N -1 0 335.315 3.710 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3)o2)s1 ZINC000874971481 1137627353 /nfs/dbraw/zinc/62/73/53/1137627353.db2.gz ITJYBBDKWRNCPO-UHFFFAOYSA-N -1 0 341.344 3.771 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)Nc3ccc(CC(=O)[O-])cc3)o2)cc1 ZINC000874971229 1137627387 /nfs/dbraw/zinc/62/73/87/1137627387.db2.gz WZHBPWKRLQKTLX-UHFFFAOYSA-N -1 0 349.342 3.639 20 0 EHADRM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000825777880 1137630836 /nfs/dbraw/zinc/63/08/36/1137630836.db2.gz DFPGDBIKWVSFIA-SWLSCSKDSA-N -1 0 342.370 3.934 20 0 EHADRM O=C([N-]C1(c2noc(C3CCCC3)n2)CCCCCC1)C(F)(F)F ZINC000125572063 1137637960 /nfs/dbraw/zinc/63/79/60/1137637960.db2.gz DICXTOHUMPCIHT-UHFFFAOYSA-N -1 0 345.365 3.955 20 0 EHADRM O=S(=O)([N-]c1cccc(F)n1)c1cc2cc(Cl)ccc2s1 ZINC000130829720 1137842591 /nfs/dbraw/zinc/84/25/91/1137842591.db2.gz LZABGVMTDSQSEL-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM CC(C)(C)c1ccccc1S(=O)(=O)Nc1ccc2c(c1)COC2 ZINC000132872216 1137870642 /nfs/dbraw/zinc/87/06/42/1137870642.db2.gz LGLRVMJLPPTWBR-UHFFFAOYSA-N -1 0 331.437 3.815 20 0 EHADRM CC[C@H](NS(=O)(=O)c1ccc(F)cc1Cl)c1nc(C)cs1 ZINC000104760622 1137879183 /nfs/dbraw/zinc/87/91/83/1137879183.db2.gz FIRSHNGKIAEPCW-NSHDSACASA-N -1 0 348.852 3.674 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 ZINC000107946138 1137888260 /nfs/dbraw/zinc/88/82/60/1137888260.db2.gz KTMYBKNVVZXYCR-MWTRTKDXSA-N -1 0 329.465 3.597 20 0 EHADRM CC(C)c1csc([N-]S(=O)(=O)/C=C\c2ccccc2F)n1 ZINC000800030737 1137894999 /nfs/dbraw/zinc/89/49/99/1137894999.db2.gz SPEVYHHLHZIQLI-FPLPWBNLSA-N -1 0 326.418 3.818 20 0 EHADRM CC(C)(C)c1cnc([N-]S(=O)(=O)/C=C/c2ccccc2F)s1 ZINC000800040110 1137895396 /nfs/dbraw/zinc/89/53/96/1137895396.db2.gz WSQSFKSVTHBNAK-CMDGGOBGSA-N -1 0 340.445 3.992 20 0 EHADRM CC[C@@H]1CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])C[C@H]1O ZINC000331493911 1137910425 /nfs/dbraw/zinc/91/04/25/1137910425.db2.gz BDSLGGPESWLDLO-SJKOYZFVSA-N -1 0 345.826 3.556 20 0 EHADRM CCCc1nc(=NC(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)s[n-]1 ZINC000331521147 1137911491 /nfs/dbraw/zinc/91/14/91/1137911491.db2.gz CXHRLQICSRDYFC-VXGBXAGGSA-N -1 0 334.445 3.511 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)c(C)o1 ZINC000332227648 1137936418 /nfs/dbraw/zinc/93/64/18/1137936418.db2.gz LCSXTISFMPJFRK-UHFFFAOYSA-N -1 0 333.413 3.628 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)N=c2ccc(C3CC3)n[n-]2)C1 ZINC000333177149 1137957239 /nfs/dbraw/zinc/95/72/39/1137957239.db2.gz LRZXJMCXNZNJSA-PXAZEXFGSA-N -1 0 340.402 3.530 20 0 EHADRM C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccc([O-])c(Cl)c1 ZINC000067177888 1138080049 /nfs/dbraw/zinc/08/00/49/1138080049.db2.gz DNAYCRCJPWBRKM-YVEFUNNKSA-N -1 0 331.799 3.648 20 0 EHADRM CC(C)(CC(=O)Nc1cc(Br)ccc1Cl)C(=O)[O-] ZINC000078881199 1138153518 /nfs/dbraw/zinc/15/35/18/1138153518.db2.gz ZTWBIYXVECWKQC-UHFFFAOYSA-N -1 0 334.597 3.542 20 0 EHADRM CCCCC[C@@H](C)CC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000079427817 1138155880 /nfs/dbraw/zinc/15/58/80/1138155880.db2.gz ZOJOZZTZBWQTTK-GFCCVEGCSA-N -1 0 335.473 3.550 20 0 EHADRM CCCCCN(C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)C(C)C ZINC000081001040 1138165516 /nfs/dbraw/zinc/16/55/16/1138165516.db2.gz XMALLKDKFJQBAC-UHFFFAOYSA-N -1 0 329.444 3.515 20 0 EHADRM CN(C(=O)c1cc(Cl)c2ccccc2c1[O-])C1CCC(CO)CC1 ZINC000092600724 1138230286 /nfs/dbraw/zinc/23/02/86/1138230286.db2.gz MNYKTTUKDSEVPJ-UHFFFAOYSA-N -1 0 347.842 3.822 20 0 EHADRM O=C([O-])CC1(CC(=O)NCC[C@H]2CCCC2(F)F)CCCCC1 ZINC000887314014 1138262056 /nfs/dbraw/zinc/26/20/56/1138262056.db2.gz QETBOGWBQCRAPC-CYBMUJFWSA-N -1 0 331.403 3.743 20 0 EHADRM CCC[C@@H](C)[C@H]1CCCN1C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000122787027 1138262227 /nfs/dbraw/zinc/26/22/27/1138262227.db2.gz OHDQOIHEUSZBEO-CRAIPNDOSA-N -1 0 341.455 3.515 20 0 EHADRM CCC(CC)(CC(=O)Nc1cccc(F)c1Br)C(=O)[O-] ZINC000887316197 1138263033 /nfs/dbraw/zinc/26/30/33/1138263033.db2.gz LVWTZSFQIWMBNK-UHFFFAOYSA-N -1 0 346.196 3.808 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc3c(c2)C=CC2(CCC2)O3)CCC1 ZINC000887324202 1138266047 /nfs/dbraw/zinc/26/60/47/1138266047.db2.gz VHOSJSMGVABLJV-UHFFFAOYSA-N -1 0 327.380 3.598 20 0 EHADRM O=C([O-])c1c[nH]c2cc(NC(=O)C[C@H]3CCC4(CCC4)CO3)ccc12 ZINC000887327971 1138267348 /nfs/dbraw/zinc/26/73/48/1138267348.db2.gz GEJTZEZWPKKCKA-CYBMUJFWSA-N -1 0 342.395 3.544 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)N1CCC[C@H](c2ccccc2)CC1 ZINC000333503234 1138297867 /nfs/dbraw/zinc/29/78/67/1138297867.db2.gz CWJSRTDJKYHFRI-INIZCTEOSA-N -1 0 336.439 3.578 20 0 EHADRM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cc(C)ccn3)c2)n1 ZINC000337140511 1138477180 /nfs/dbraw/zinc/47/71/80/1138477180.db2.gz RDYQFJQKJPHOFM-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000132004046 1138556176 /nfs/dbraw/zinc/55/61/76/1138556176.db2.gz UEKXEAGMPGUSTJ-LFVRLGFBSA-N -1 0 349.883 3.976 20 0 EHADRM COc1ccc(C)cc1[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000348454385 1138584664 /nfs/dbraw/zinc/58/46/64/1138584664.db2.gz XZTITDSOEPHPDV-UHFFFAOYSA-N -1 0 349.383 3.998 20 0 EHADRM C[C@@](CC(=O)Nc1ccc2scnc2c1)(C(=O)[O-])c1ccccc1 ZINC000337716170 1138650850 /nfs/dbraw/zinc/65/08/50/1138650850.db2.gz RHLIJFDWZDZEMY-SFHVURJKSA-N -1 0 340.404 3.667 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@H]2CC=C(c3ccc(F)cc3)CC2)s[n-]1 ZINC000337784717 1138667077 /nfs/dbraw/zinc/66/70/77/1138667077.db2.gz ANCKEAAMCRUGNZ-NHYWBVRUSA-N -1 0 333.432 3.855 20 0 EHADRM Cc1oc2ccc([N-]S(=O)(=O)c3cccc4c3OCO4)cc2c1C ZINC000337878997 1138689185 /nfs/dbraw/zinc/68/91/85/1138689185.db2.gz WUFDQSRBARXCMB-UHFFFAOYSA-N -1 0 345.376 3.579 20 0 EHADRM CO[C@H](C)c1nc(=NC(=O)C[C@@H]2C[C@@H](C)c3c2cccc3C)s[n-]1 ZINC000338028954 1138727719 /nfs/dbraw/zinc/72/77/19/1138727719.db2.gz POBOJFNQZPJNLW-UPJWGTAASA-N -1 0 345.468 3.595 20 0 EHADRM C[C@@H]1C[C@@H](CCNC(=O)CC2(C(=O)[O-])CCCCCC2)C[C@H](C)O1 ZINC000338408110 1138897940 /nfs/dbraw/zinc/89/79/40/1138897940.db2.gz KVVWNLDYMSGKIU-MUJYYYPQSA-N -1 0 339.476 3.512 20 0 EHADRM O=S(=O)([N-]c1cc(F)ccc1SCC(F)F)c1ccoc1 ZINC000350826103 1138953564 /nfs/dbraw/zinc/95/35/64/1138953564.db2.gz BFJRYNPGSQKEDZ-UHFFFAOYSA-N -1 0 337.344 3.577 20 0 EHADRM COCCCCC(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000174913165 1139450290 /nfs/dbraw/zinc/45/02/90/1139450290.db2.gz YADGIOJYDMQLDB-UHFFFAOYSA-N -1 0 336.613 3.563 20 0 EHADRM CC1(C)CC(=O)C(C(=O)Nc2ccc(Cl)cc2Cl)=C([O-])C1 ZINC000175827732 1139520995 /nfs/dbraw/zinc/52/09/95/1139520995.db2.gz FEJATDRVDUFOFX-UHFFFAOYSA-N -1 0 328.195 3.506 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCS[C@H]2CCCC[C@@H]21 ZINC000176230252 1139546510 /nfs/dbraw/zinc/54/65/10/1139546510.db2.gz WGSUKYGVIZGEMX-JSGCOSHPSA-N -1 0 334.466 3.617 20 0 EHADRM Cc1cc(C)c(NC(=O)CSc2n[n-]c(=S)s2)c(C)c1 ZINC000177728129 1139636982 /nfs/dbraw/zinc/63/69/82/1139636982.db2.gz KVEJTQLKVRXIEP-UHFFFAOYSA-N -1 0 325.484 3.857 20 0 EHADRM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)o1 ZINC000180027722 1139803148 /nfs/dbraw/zinc/80/31/48/1139803148.db2.gz CSLPXJMTTGZOJG-DMRZNYOFSA-N -1 0 333.428 3.779 20 0 EHADRM C[C@@H](NC(=O)c1cc(F)c([O-])c(F)c1)c1cccc(N2CCCC2)c1 ZINC000180148596 1139813056 /nfs/dbraw/zinc/81/30/56/1139813056.db2.gz BTSURRCCMJENRS-GFCCVEGCSA-N -1 0 346.377 3.762 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)C(C)(C)CC(C)C)c1Cl ZINC000777355655 1139818562 /nfs/dbraw/zinc/81/85/62/1139818562.db2.gz ZUNPSGYBKCASMY-UHFFFAOYSA-N -1 0 331.865 3.526 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)c2sccc2-c2ccc(F)cc2)CC1 ZINC000777382084 1139964975 /nfs/dbraw/zinc/96/49/75/1139964975.db2.gz CJOVGYSZNUVYCR-UHFFFAOYSA-N -1 0 347.411 3.881 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000186822586 1140223705 /nfs/dbraw/zinc/22/37/05/1140223705.db2.gz RHGYVFDRDJMJCP-GFCCVEGCSA-N -1 0 335.325 3.514 20 0 EHADRM O=C(CCOCC(F)F)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000189948429 1140373384 /nfs/dbraw/zinc/37/33/84/1140373384.db2.gz YAVLEYAHOAOBJJ-UHFFFAOYSA-N -1 0 348.560 3.963 20 0 EHADRM CC(=O)SCCCCCCNC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000193861857 1140589061 /nfs/dbraw/zinc/58/90/61/1140589061.db2.gz ZDKPZYOZCBESMO-UHFFFAOYSA-N -1 0 347.839 3.755 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1cnn(C2CCCC2)c1C ZINC000194227600 1140602844 /nfs/dbraw/zinc/60/28/44/1140602844.db2.gz AUKYWRULOCEZNA-UHFFFAOYSA-N -1 0 333.457 3.670 20 0 EHADRM O=C([O-])C1CCC(C(=O)N2CC[C@H](CSc3ccccc3)C2)CC1 ZINC000194424861 1140608537 /nfs/dbraw/zinc/60/85/37/1140608537.db2.gz UPVAPVDTEYMRSO-FHERZECASA-N -1 0 347.480 3.518 20 0 EHADRM O=C([O-])CCCCCCNC(=O)CCCOc1ccccc1Cl ZINC000268926581 1141027472 /nfs/dbraw/zinc/02/74/72/1141027472.db2.gz FIWRQAOUBKJXSK-UHFFFAOYSA-N -1 0 341.835 3.650 20 0 EHADRM COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000271369346 1141352772 /nfs/dbraw/zinc/35/27/72/1141352772.db2.gz HSIQCNRFACDSNR-PIGZYNQJSA-N -1 0 349.814 3.560 20 0 EHADRM Cc1csc(-c2cccc(NC(=O)NCc3ncccc3O)c2)n1 ZINC000348787890 1141579840 /nfs/dbraw/zinc/57/98/40/1141579840.db2.gz USBKRAFOXGAXFH-UHFFFAOYSA-N -1 0 340.408 3.541 20 0 EHADRM Cc1cc2cc(CNC(=O)CC3(CC(=O)[O-])CCCCC3)ccc2[nH]1 ZINC000349012093 1141622218 /nfs/dbraw/zinc/62/22/18/1141622218.db2.gz WRASNZPNWXRGJO-UHFFFAOYSA-N -1 0 342.439 3.908 20 0 EHADRM Cc1nc(C=Cc2ccc(C(C)(C)C)s2)[nH]c(=O)c1CC(=O)[O-] ZINC000349103172 1141638638 /nfs/dbraw/zinc/63/86/38/1141638638.db2.gz BWLICUXZNVJVGB-SOFGYWHQSA-N -1 0 332.425 3.647 20 0 EHADRM Cc1ccc(-c2ccncc2)cc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000225447461 241867305 /nfs/dbraw/zinc/86/73/05/241867305.db2.gz GPMXXRODEHIGKC-UHFFFAOYSA-N -1 0 326.396 3.887 20 0 EHADRM COc1cc(CNc2cc(C(=O)[O-])ccc2C)cc(Cl)c1OC ZINC000020881256 212181218 /nfs/dbraw/zinc/18/12/18/212181218.db2.gz LNKYXSWLKTTYRJ-UHFFFAOYSA-N -1 0 335.787 3.976 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1ccc(Br)cc1 ZINC000013432345 207451181 /nfs/dbraw/zinc/45/11/81/207451181.db2.gz AHMLCOKURVZFES-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM Cc1ccc(C)c(Sc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000737326899 598954659 /nfs/dbraw/zinc/95/46/59/598954659.db2.gz UFLKOOHNXWKPKA-UHFFFAOYSA-N -1 0 334.408 3.578 20 0 EHADRM CC(C)c1cccc(Oc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000735932448 598955087 /nfs/dbraw/zinc/95/50/87/598955087.db2.gz LJCSUICMJYZHLD-UHFFFAOYSA-N -1 0 332.367 3.726 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000610892063 597101355 /nfs/dbraw/zinc/10/13/55/597101355.db2.gz OLTZOTMQESMWRA-GFCCVEGCSA-N -1 0 347.436 3.623 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1ccccc1CCC(F)(F)F ZINC000263039958 597140440 /nfs/dbraw/zinc/14/04/40/597140440.db2.gz LQAPUEUKNXVTPB-UHFFFAOYSA-N -1 0 346.349 3.946 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)NCCCSc2ccccc2)c1 ZINC000738625899 597187514 /nfs/dbraw/zinc/18/75/14/597187514.db2.gz OTZDNIZHSHDWNY-UHFFFAOYSA-N -1 0 344.436 3.618 20 0 EHADRM C[C@H](CNC(=O)Nc1cccc(CC(=O)[O-])c1)Sc1ccccc1 ZINC000818009125 597192807 /nfs/dbraw/zinc/19/28/07/597192807.db2.gz VEVGGQGXWTVMRQ-CYBMUJFWSA-N -1 0 344.436 3.616 20 0 EHADRM CN(C(=O)Nc1cccc(CC(=O)[O-])c1)[C@@H]1CCCc2ccccc21 ZINC000737926858 597195957 /nfs/dbraw/zinc/19/59/57/597195957.db2.gz CQKNDAJGVSSWHF-GOSISDBHSA-N -1 0 338.407 3.855 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000738623923 597203525 /nfs/dbraw/zinc/20/35/25/597203525.db2.gz KFOFKNAZWQJXAG-QGZVFWFLSA-N -1 0 342.370 3.822 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000324872854 597229362 /nfs/dbraw/zinc/22/93/62/597229362.db2.gz JIJRNZGGMJACRG-GFCCVEGCSA-N -1 0 346.814 3.941 20 0 EHADRM O=C([O-])c1ccc(C[S@@](=O)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000819687370 597285378 /nfs/dbraw/zinc/28/53/78/597285378.db2.gz OJKOIOKFKHESGD-HSZRJFAPSA-N -1 0 342.338 3.853 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N(Cc2ccco2)C2CCCC2)cc1 ZINC000263427996 597298345 /nfs/dbraw/zinc/29/83/45/597298345.db2.gz YGBVNQKADFAPEG-UHFFFAOYSA-N -1 0 342.395 3.632 20 0 EHADRM CCOc1ccc([C@@H](C)NC(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000818240122 597324903 /nfs/dbraw/zinc/32/49/03/597324903.db2.gz WPIRKXGCHUHTLJ-CYBMUJFWSA-N -1 0 342.395 3.595 20 0 EHADRM Cc1ccc(C[C@@H](C)N(C)C(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000818890663 597334895 /nfs/dbraw/zinc/33/48/95/597334895.db2.gz CZPSKLZGBGIFLO-OAHLLOKOSA-N -1 0 340.423 3.717 20 0 EHADRM CC(C)(CCc1ccccc1)NC(=O)Nc1ccccc1CC(=O)[O-] ZINC000328324862 597337985 /nfs/dbraw/zinc/33/79/85/597337985.db2.gz RHBUKYUZZPGVRH-UHFFFAOYSA-N -1 0 340.423 3.847 20 0 EHADRM CC(C)N(Cc1ccccc1F)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000817909856 597342748 /nfs/dbraw/zinc/34/27/48/597342748.db2.gz XKMFIIYCMSFZIO-UHFFFAOYSA-N -1 0 344.386 3.895 20 0 EHADRM O=C([O-])c1ccc(C[S@](=O)[C@H]2CCc3c2cccc3Cl)cc1 ZINC000821545596 597373645 /nfs/dbraw/zinc/37/36/45/597373645.db2.gz HMWFQJIOXJKINU-AOMKIAJQSA-N -1 0 334.824 3.974 20 0 EHADRM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000820228139 597650303 /nfs/dbraw/zinc/65/03/03/597650303.db2.gz MOWCIWKLGPMENK-CMPLNLGQSA-N -1 0 344.333 3.508 20 0 EHADRM O=C([O-])c1ccc(CSCc2nnc(C3CC3)n2C2CC2)cc1 ZINC000821545821 597727922 /nfs/dbraw/zinc/72/79/22/597727922.db2.gz RFRYLUVSZQBLIE-UHFFFAOYSA-N -1 0 329.425 3.622 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CC[C@@H]2c2cccc(F)c2)c(F)c1 ZINC000821547513 598024076 /nfs/dbraw/zinc/02/40/76/598024076.db2.gz QMKYNBVSBAYKFM-OAHLLOKOSA-N -1 0 332.306 3.642 20 0 EHADRM CCc1c(NC(=O)Nc2ccc(C(=O)[O-])cc2F)cnn1CC(C)C ZINC000820474426 598034078 /nfs/dbraw/zinc/03/40/78/598034078.db2.gz VTDUVQJKLALQJA-UHFFFAOYSA-N -1 0 348.378 3.583 20 0 EHADRM O=C([O-])c1cccc(CNCc2csc(-c3cccs3)n2)c1 ZINC000683176455 598194353 /nfs/dbraw/zinc/19/43/53/598194353.db2.gz KINCNLNCIOZETR-UHFFFAOYSA-N -1 0 330.434 3.860 20 0 EHADRM CN(Cc1ccccc1-c1ccccc1)C(=O)c1cccc(C(=O)[O-])n1 ZINC000362491026 599703110 /nfs/dbraw/zinc/70/31/10/599703110.db2.gz CSEVWZJDXRCKTB-UHFFFAOYSA-N -1 0 346.386 3.719 20 0 EHADRM COc1ccc([C@H](C)C(=O)Oc2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000737950630 599710815 /nfs/dbraw/zinc/71/08/15/599710815.db2.gz SDOKFXDIMRCCKZ-JTQLQIEISA-N -1 0 334.755 3.756 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)NCc2cc3ccccc3[nH]2)ccc1F ZINC000740009010 599715279 /nfs/dbraw/zinc/71/52/79/599715279.db2.gz VFFITOGIVURGEF-UHFFFAOYSA-N -1 0 342.330 3.719 20 0 EHADRM Cc1ccccc1CN(C)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000738770300 599715837 /nfs/dbraw/zinc/71/58/37/599715837.db2.gz GJSNFFJAINZIGP-UHFFFAOYSA-N -1 0 331.347 3.888 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N2CCC[C@@H]2c2cccnc2)ccc1F ZINC000740006670 599716435 /nfs/dbraw/zinc/71/64/35/599716435.db2.gz VEWFXPQWPYDTNO-OAHLLOKOSA-N -1 0 344.346 3.680 20 0 EHADRM CCC[C@](C)(NC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000236821859 599717521 /nfs/dbraw/zinc/71/75/21/599717521.db2.gz DNNMLDBEIFFWGC-HLIPFELVSA-N -1 0 325.408 3.703 20 0 EHADRM CN(CCCC(=O)Nc1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC000737430796 599723596 /nfs/dbraw/zinc/72/35/96/599723596.db2.gz JARVAOYNZZISDZ-UHFFFAOYSA-N -1 0 328.368 3.807 20 0 EHADRM CCC[C@@H](NC(=O)CCNC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000736970370 599728341 /nfs/dbraw/zinc/72/83/41/599728341.db2.gz LADHNFHOYLSPKO-GFCCVEGCSA-N -1 0 333.215 3.609 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)c2sccc2OC(F)F)cc1 ZINC000737335358 599740213 /nfs/dbraw/zinc/74/02/13/599740213.db2.gz FUYWOPNNYAGZPF-UHFFFAOYSA-N -1 0 342.323 3.716 20 0 EHADRM CCC/C=C/C(=O)N(Cc1ccoc1C(=O)[O-])[C@H](C)c1ccccn1 ZINC000736974552 599748338 /nfs/dbraw/zinc/74/83/38/599748338.db2.gz MILXZWGCYZELQI-VZUFXWRPSA-N -1 0 342.395 3.819 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1cccc(-c2ccc3ccccc3c2)n1 ZINC000739553841 599749924 /nfs/dbraw/zinc/74/99/24/599749924.db2.gz RZSMEGNGCASTKP-JKSUJKDBSA-N -1 0 332.359 3.561 20 0 EHADRM CC(C)Cc1ccc([C@@H](NC(=O)NCCCC(=O)[O-])C2CC2)cc1 ZINC000736454804 599758549 /nfs/dbraw/zinc/75/85/49/599758549.db2.gz WWHZHWWAKXIMFM-GOSISDBHSA-N -1 0 332.444 3.500 20 0 EHADRM CCC[C@](C)(NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000362513315 599764497 /nfs/dbraw/zinc/76/44/97/599764497.db2.gz UXESPFRHYFZAAS-USBNGQNGSA-N -1 0 344.238 3.857 20 0 EHADRM O=C([O-])CCCCCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000238148046 599764934 /nfs/dbraw/zinc/76/49/34/599764934.db2.gz XHJZCUKXOWICOR-NWDGAFQWSA-N -1 0 344.238 3.858 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1 ZINC000238033835 599766563 /nfs/dbraw/zinc/76/65/63/599766563.db2.gz KQQNHRDHPXCCPM-UHFFFAOYSA-N -1 0 335.306 3.558 20 0 EHADRM CC(C)COc1cccc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC000236697553 599767112 /nfs/dbraw/zinc/76/71/12/599767112.db2.gz SQOSUQQMMPILNP-UHFFFAOYSA-N -1 0 341.407 3.991 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)Cc2ccc(-n3cccc3)cc2)cc1 ZINC000739755970 599770354 /nfs/dbraw/zinc/77/03/54/599770354.db2.gz HODSOBAKHBIWBO-UHFFFAOYSA-N -1 0 348.402 3.676 20 0 EHADRM CC(C)(C)c1nc(CC(=O)Nc2ccc(CCC(=O)[O-])cc2)cs1 ZINC000236630190 599772361 /nfs/dbraw/zinc/77/23/61/599772361.db2.gz DNZXQSVZJMMYAO-UHFFFAOYSA-N -1 0 346.452 3.639 20 0 EHADRM C[C@H](CNc1ccc(C(=O)[O-])nn1)c1c(Cl)cccc1Cl ZINC000736607063 599784681 /nfs/dbraw/zinc/78/46/81/599784681.db2.gz OOQPTIVQLZNHTM-MRVPVSSYSA-N -1 0 326.183 3.697 20 0 EHADRM Cc1nc(CC(C)C)sc1C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000738851257 599787647 /nfs/dbraw/zinc/78/76/47/599787647.db2.gz KBHZBSYECCVXHR-SNVBAGLBSA-N -1 0 337.397 3.859 20 0 EHADRM CC(C)N(Cc1cccc(Cl)c1)C(=O)NCCCCC(=O)[O-] ZINC000666558772 599793126 /nfs/dbraw/zinc/79/31/26/599793126.db2.gz XMADYKIPMVRANK-UHFFFAOYSA-N -1 0 326.824 3.515 20 0 EHADRM Cc1nc(SCc2cc(C(=O)[O-])co2)[nH]c1Cc1ccccc1 ZINC000738246479 599801950 /nfs/dbraw/zinc/80/19/50/599801950.db2.gz IFXGJSNUNOPNMU-UHFFFAOYSA-N -1 0 328.393 3.892 20 0 EHADRM O=C([O-])CCCNC(=S)Nc1cccc(Sc2ccccc2)c1 ZINC000739680364 599805411 /nfs/dbraw/zinc/80/54/11/599805411.db2.gz BGYPHKWIRDELQI-UHFFFAOYSA-N -1 0 346.477 3.989 20 0 EHADRM CCCc1c(C(=O)N(C)Cc2ccc(C)s2)[nH]c(C)c1C(=O)[O-] ZINC000737041834 599807205 /nfs/dbraw/zinc/80/72/05/599807205.db2.gz PRSOBYVJEYESNJ-UHFFFAOYSA-N -1 0 334.441 3.616 20 0 EHADRM CCCCC[C@@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC000736984610 599807284 /nfs/dbraw/zinc/80/72/84/599807284.db2.gz OLLQRIMKCYOEBB-MRXNPFEDSA-N -1 0 326.396 3.831 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CNc1cc(F)ccc1Cl ZINC000738531692 599809735 /nfs/dbraw/zinc/80/97/35/599809735.db2.gz JTIKCJRFOBKNEU-UHFFFAOYSA-N -1 0 336.750 3.536 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2cc3ccccc3cc2O)cc1 ZINC000034751958 599810770 /nfs/dbraw/zinc/81/07/70/599810770.db2.gz RNFUQQUDTKDUSW-UHFFFAOYSA-N -1 0 335.359 3.815 20 0 EHADRM CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1ccc(-c2ccccc2)cc1F ZINC000736373839 599814714 /nfs/dbraw/zinc/81/47/14/599814714.db2.gz GILGRQCWZIHQRH-MRXNPFEDSA-N -1 0 330.359 3.723 20 0 EHADRM Cc1cc(-c2ccccc2)ccc1NC(=O)[C@H](NC(=O)[O-])C(C)C ZINC000738315014 599815037 /nfs/dbraw/zinc/81/50/37/599815037.db2.gz XEOMRECXLHMMON-QGZVFWFLSA-N -1 0 326.396 3.893 20 0 EHADRM COc1ccccc1CC(C)(C)NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000738125031 599815824 /nfs/dbraw/zinc/81/58/24/599815824.db2.gz XERCXPLJPWGFGX-UHFFFAOYSA-N -1 0 342.395 3.536 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C[C@@H]1CCCc2ccccc21 ZINC000237972238 599815979 /nfs/dbraw/zinc/81/59/79/599815979.db2.gz XKRQTLKBVXLMFL-CAMMJAKZSA-N -1 0 341.451 3.741 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1)C(=O)[O-] ZINC000236947528 599816361 /nfs/dbraw/zinc/81/63/61/599816361.db2.gz NMLZYIFKYVNJKE-ZJNRKIDTSA-N -1 0 343.423 3.567 20 0 EHADRM Cc1cccc2c1CC[C@H]2NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000738746974 599817314 /nfs/dbraw/zinc/81/73/14/599817314.db2.gz AZGKNFZCHHSSEA-OAHLLOKOSA-N -1 0 346.333 3.780 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1nccc2ccccc21)C(=O)[O-] ZINC000190672099 599818502 /nfs/dbraw/zinc/81/85/02/599818502.db2.gz ZZCYHZNFUHDWBF-HNNXBMFYSA-N -1 0 348.402 3.598 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)Nc1cc(F)c(F)cc1F)c1cccs1 ZINC000739627071 599822982 /nfs/dbraw/zinc/82/29/82/599822982.db2.gz CYDBOSPKZMSYLP-LLVKDONJSA-N -1 0 344.314 3.503 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cc(F)c(Cl)nc1Cl ZINC000738535265 599826740 /nfs/dbraw/zinc/82/67/40/599826740.db2.gz HINUVUBWXJRXJH-UHFFFAOYSA-N -1 0 343.141 3.786 20 0 EHADRM COC(=O)c1ccc(-c2ccc(/C=C(/C(=O)[O-])c3ccncc3)o2)cc1 ZINC000737677754 599830959 /nfs/dbraw/zinc/83/09/59/599830959.db2.gz KXGSLYHKECQULP-SFQUDFHCSA-N -1 0 349.342 3.753 20 0 EHADRM CC(C)c1ccc(C2(CNC(=O)CCCNC(=O)[O-])CCCC2)cc1 ZINC000736512790 599834389 /nfs/dbraw/zinc/83/43/89/599834389.db2.gz NEHUSVLJADHTGI-UHFFFAOYSA-N -1 0 346.471 3.786 20 0 EHADRM CCSCc1ccc(C(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC000737230827 599836582 /nfs/dbraw/zinc/83/65/82/599836582.db2.gz DQSPUFHCYOFZGV-UHFFFAOYSA-N -1 0 329.421 3.915 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)N(C)c2ccccc2C(=O)[O-])ccc1Cl ZINC000738465187 599838298 /nfs/dbraw/zinc/83/82/98/599838298.db2.gz RUMAYIFERZEVGN-GFCCVEGCSA-N -1 0 347.798 3.777 20 0 EHADRM Cc1sc(NC(=O)[C@H]2CCOc3ccccc32)c(C(=O)[O-])c1C ZINC000320638946 599842586 /nfs/dbraw/zinc/84/25/86/599842586.db2.gz MGQFRNNIKGFLPZ-LBPRGKRZSA-N -1 0 331.393 3.568 20 0 EHADRM O=C([O-])c1ccc(OC(=O)[C@@H]2CCOc3ccccc32)c(Cl)c1 ZINC000740160834 599843346 /nfs/dbraw/zinc/84/33/46/599843346.db2.gz LEXMTQARTZHQST-GFCCVEGCSA-N -1 0 332.739 3.510 20 0 EHADRM COc1ccc(S[C@@H](C)C(=O)Nc2cccc(F)c2C(=O)[O-])cc1 ZINC000738068973 599843449 /nfs/dbraw/zinc/84/34/49/599843449.db2.gz GQFRDTRBNLUUQK-JTQLQIEISA-N -1 0 349.383 3.652 20 0 EHADRM Cc1ccc2c(CC(=O)Nc3cccc(F)c3C(=O)[O-])coc2c1 ZINC000324926419 599847199 /nfs/dbraw/zinc/84/71/99/599847199.db2.gz WCAZOXKBWNFTKA-UHFFFAOYSA-N -1 0 327.311 3.760 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)/C=C\c2ccsc2)cc1 ZINC000492351508 599848231 /nfs/dbraw/zinc/84/82/31/599848231.db2.gz UHJGTWPWTMHJDM-SJXOGVDTSA-N -1 0 347.461 3.815 20 0 EHADRM Cc1c(Cl)cccc1NC(=O)CNc1cccc(F)c1C(=O)[O-] ZINC000738291546 599856875 /nfs/dbraw/zinc/85/68/75/599856875.db2.gz VERXXGZFVGCOSA-UHFFFAOYSA-N -1 0 336.750 3.536 20 0 EHADRM COC(=O)c1ccc(-c2nc(-c3cc(C(=O)[O-])co3)cs2)cc1 ZINC000737678295 599858740 /nfs/dbraw/zinc/85/87/40/599858740.db2.gz OCYVUYMFUDSPBQ-UHFFFAOYSA-N -1 0 329.333 3.555 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NCC1(c2ccccc2C)CC1 ZINC000738534624 599862255 /nfs/dbraw/zinc/86/22/55/599862255.db2.gz YEGMMRUSAWGQJF-UHFFFAOYSA-N -1 0 338.407 3.855 20 0 EHADRM CC(C)(NC(=O)[O-])C(=O)OCC(=O)c1ccc(C2CCCCC2)cc1 ZINC000736336966 599863763 /nfs/dbraw/zinc/86/37/63/599863763.db2.gz MREGWOPYPXTVGX-UHFFFAOYSA-N -1 0 347.411 3.506 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)c1ccc(Cl)o1 ZINC000676634611 599871475 /nfs/dbraw/zinc/87/14/75/599871475.db2.gz MMUTZYSRFNNYOK-UHFFFAOYSA-N -1 0 335.768 3.776 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)Cc1ccc(F)cc1 ZINC000676018529 599871952 /nfs/dbraw/zinc/87/19/52/599871952.db2.gz KMBLCACWMCHFHF-UHFFFAOYSA-N -1 0 343.379 3.598 20 0 EHADRM O=C(/C=C/c1ccsc1)NCc1c2ccccc2sc1C(=O)[O-] ZINC000739216862 599872644 /nfs/dbraw/zinc/87/26/44/599872644.db2.gz WBADMZIPLGYBEF-AATRIKPKSA-N -1 0 343.429 3.991 20 0 EHADRM O=C([O-])c1coc(COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1 ZINC000740272802 599879197 /nfs/dbraw/zinc/87/91/97/599879197.db2.gz XDBLAQZLMCGRIF-UHFFFAOYSA-N -1 0 339.347 3.695 20 0 EHADRM COc1ccccc1CN(C)C(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000324910806 599879245 /nfs/dbraw/zinc/87/92/45/599879245.db2.gz PURFRAQNQWFVDP-UHFFFAOYSA-N -1 0 348.424 3.736 20 0 EHADRM CCC[C@@H](NC(=O)Nc1nc(CC(=O)[O-])cs1)C1CCCCC1 ZINC000736975048 599880736 /nfs/dbraw/zinc/88/07/36/599880736.db2.gz ZAOMDNDGWGLOCG-CYBMUJFWSA-N -1 0 339.461 3.641 20 0 EHADRM O=C([O-])c1coc(COC(=O)c2cc(C3CC3)nc3ccccc32)c1 ZINC000740268916 599880865 /nfs/dbraw/zinc/88/08/65/599880865.db2.gz XDQIOYSEXTUHCB-UHFFFAOYSA-N -1 0 337.331 3.760 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)cc1 ZINC000238035747 599887960 /nfs/dbraw/zinc/88/79/60/599887960.db2.gz JVSWRAHDURPCPU-WOJBJXKFSA-N -1 0 345.398 3.958 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)Oc1ccc2oc3c(c2c1)CCCC3 ZINC000736385237 599889580 /nfs/dbraw/zinc/88/95/80/599889580.db2.gz OPZNTOIYNJFNHM-INIZCTEOSA-N -1 0 331.368 3.509 20 0 EHADRM Cc1sc(NC(=O)[C@@H](NC(=O)[O-])C(C)C)nc1-c1ccc(C)cc1 ZINC000738491425 599889905 /nfs/dbraw/zinc/88/99/05/599889905.db2.gz XTAFRRZCRIMNPR-ZDUSSCGKSA-N -1 0 347.440 3.658 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2nc(-c3cccnc3)cs2)c1 ZINC000740037485 599894514 /nfs/dbraw/zinc/89/45/14/599894514.db2.gz UHGGWVOLUWQZDI-UHFFFAOYSA-N -1 0 340.364 3.547 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2CCCc3cc(F)c(F)cc32)c1 ZINC000740027199 599903239 /nfs/dbraw/zinc/90/32/39/599903239.db2.gz PAOYWWYZIJHXKG-UHFFFAOYSA-N -1 0 332.306 3.648 20 0 EHADRM CCOc1cc(/C=C\c2ncc(C(=O)[O-])s2)cc(Cl)c1O ZINC000436710067 599907282 /nfs/dbraw/zinc/90/72/82/599907282.db2.gz YJGKAJFPTLQBNE-ARJAWSKDSA-N -1 0 325.773 3.769 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)NCc2cc3c(s2)CCCC3)c1 ZINC000740031640 599907327 /nfs/dbraw/zinc/90/73/27/599907327.db2.gz RVBABTXPJGZCGC-UHFFFAOYSA-N -1 0 330.409 3.647 20 0 EHADRM CC(C)(Cc1ccccc1Cl)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000236772051 599913690 /nfs/dbraw/zinc/91/36/90/599913690.db2.gz GICSXEBTCNJSHS-UHFFFAOYSA-N -1 0 331.799 3.789 20 0 EHADRM Cc1cc(NC(=O)Cc2ccc(-n3cccc3)cc2)ccc1C(=O)[O-] ZINC000738432216 599916511 /nfs/dbraw/zinc/91/65/11/599916511.db2.gz ZVHCDYAJEGUYHM-UHFFFAOYSA-N -1 0 334.375 3.665 20 0 EHADRM CCOc1ccc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)cc1 ZINC000362563840 599921527 /nfs/dbraw/zinc/92/15/27/599921527.db2.gz DHVXPYTUMKSLIG-UHFFFAOYSA-N -1 0 345.420 3.655 20 0 EHADRM C[C@@H](CN(C(=O)C(c1ccccc1)c1ccccc1)C1CC1)C(=O)[O-] ZINC000736563680 599923573 /nfs/dbraw/zinc/92/35/73/599923573.db2.gz QZQGCUPCXTWUQS-HNNXBMFYSA-N -1 0 337.419 3.530 20 0 EHADRM Cc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1C(=O)[O-] ZINC000066290376 599925637 /nfs/dbraw/zinc/92/56/37/599925637.db2.gz DTDCIZSKWXDYAY-UHFFFAOYSA-N -1 0 341.388 3.647 20 0 EHADRM CCC[C@@](C)(NC(=O)[C@H](CC)Oc1ccccc1C(C)C)C(=O)[O-] ZINC000736955066 599928469 /nfs/dbraw/zinc/92/84/69/599928469.db2.gz YMKFCRYFLNWXTI-HNAYVOBHSA-N -1 0 335.444 3.727 20 0 EHADRM CC(C)(C)c1nc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)cs1 ZINC000362345341 599930617 /nfs/dbraw/zinc/93/06/17/599930617.db2.gz FAZKJKHMVXNMFX-ZDUSSCGKSA-N -1 0 346.452 3.777 20 0 EHADRM CCCCN(Cc1ccccc1Cl)C(=O)c1ccc(C(=O)[O-])nc1 ZINC000236737256 599932069 /nfs/dbraw/zinc/93/20/69/599932069.db2.gz VRTKXDUHJKNWBM-UHFFFAOYSA-N -1 0 346.814 3.876 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)c1ccc(OC(F)F)cc1)c1ccccc1 ZINC000193450641 599937018 /nfs/dbraw/zinc/93/70/18/599937018.db2.gz HCILKGUGXPBZEY-OAHLLOKOSA-N -1 0 349.333 3.624 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)Nc2cccc(C(=O)[O-])c2)c(C)c1 ZINC000738589849 599940847 /nfs/dbraw/zinc/94/08/47/599940847.db2.gz YJMCFMDXVXQCAD-CQSZACIVSA-N -1 0 326.396 3.754 20 0 EHADRM O=C([O-])c1cccc(NC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)c1O ZINC000740228855 599949203 /nfs/dbraw/zinc/94/92/03/599949203.db2.gz RPMASLBJZBXCLR-IRXDYDNUSA-N -1 0 347.370 3.986 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)c1cccc2cccnc21)c1ccccc1 ZINC000327377313 599953476 /nfs/dbraw/zinc/95/34/76/599953476.db2.gz NKADKRFHWJQTAN-QGZVFWFLSA-N -1 0 334.375 3.571 20 0 EHADRM O=C([O-])CN(Cc1ccccc1)C(=O)c1cccc(Cl)c1Cl ZINC000238150404 599985637 /nfs/dbraw/zinc/98/56/37/599985637.db2.gz INERUDKWZFABCV-UHFFFAOYSA-N -1 0 338.190 3.720 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl ZINC000737010846 599992552 /nfs/dbraw/zinc/99/25/52/599992552.db2.gz LDRLMYSAMYALJG-UTCJRWHESA-N -1 0 349.736 3.695 20 0 EHADRM O=C([O-])CCCCCCNC(=O)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000739666762 599997737 /nfs/dbraw/zinc/99/77/37/599997737.db2.gz TUBACCQONPGNKM-SFHVURJKSA-N -1 0 346.471 3.686 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)C[C@@H]2CCCc3ccccc32)c1 ZINC000737934847 600001843 /nfs/dbraw/zinc/00/18/43/600001843.db2.gz HKBCYNAFZODKKX-AWEZNQCLSA-N -1 0 339.391 3.842 20 0 EHADRM COc1ccc([C@@H](C)N(C)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000737949747 600015537 /nfs/dbraw/zinc/01/55/37/600015537.db2.gz NZYSCTMXRXRLJB-CYBMUJFWSA-N -1 0 342.395 3.927 20 0 EHADRM O=C([O-])C1CCC(NC(=O)Nc2ccccc2OC2CCCC2)CC1 ZINC000263450550 600027904 /nfs/dbraw/zinc/02/79/04/600027904.db2.gz AJSNTTWLUBTKTN-UHFFFAOYSA-N -1 0 346.427 3.773 20 0 EHADRM O=C([O-])C1CCC(NC(=O)Nc2cc(Cl)cc3cccnc32)CC1 ZINC000520375445 600029727 /nfs/dbraw/zinc/02/97/27/600029727.db2.gz BNMPTGKVSXTVKP-UHFFFAOYSA-N -1 0 347.802 3.653 20 0 EHADRM CCCCOc1ccc(NC(=O)NC2CCC(C(=O)[O-])CC2)c(C)c1 ZINC000263460636 600029801 /nfs/dbraw/zinc/02/98/01/600029801.db2.gz DLANSYAEEXEFJM-UHFFFAOYSA-N -1 0 348.443 3.939 20 0 EHADRM Cc1c(NC(=O)c2ccc3[nH]c(C(F)F)nc3c2)cccc1C(=O)[O-] ZINC000675966897 600036902 /nfs/dbraw/zinc/03/69/02/600036902.db2.gz VYKNUXZGLODXGA-UHFFFAOYSA-N -1 0 345.305 3.759 20 0 EHADRM CC(C)N(Cc1ccccc1F)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000736470947 600037847 /nfs/dbraw/zinc/03/78/47/600037847.db2.gz CPKNDNUVVWHARU-UHFFFAOYSA-N -1 0 343.398 3.894 20 0 EHADRM C[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc(Cl)s1 ZINC000237579466 600038098 /nfs/dbraw/zinc/03/80/98/600038098.db2.gz ARPXZQQUZXFFHU-SNVBAGLBSA-N -1 0 337.828 3.910 20 0 EHADRM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2cccc(NC(=O)[O-])c2)c1 ZINC000738096534 600038773 /nfs/dbraw/zinc/03/87/73/600038773.db2.gz PFLAZJBBGSAWAK-JKSUJKDBSA-N -1 0 326.352 3.527 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Nc2cccc(-c3cnco3)c2)cc1 ZINC000136977130 600040072 /nfs/dbraw/zinc/04/00/72/600040072.db2.gz JKGUEJLQUWUYFA-UHFFFAOYSA-N -1 0 336.347 3.611 20 0 EHADRM Cc1cc(F)c2c(c1)CCCN2C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000738396356 600040346 /nfs/dbraw/zinc/04/03/46/600040346.db2.gz DDRCQRDBBAMVOL-UHFFFAOYSA-N -1 0 341.382 3.744 20 0 EHADRM C[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc(F)c(Cl)c1 ZINC000237579513 600041121 /nfs/dbraw/zinc/04/11/21/600041121.db2.gz DXEFIDGLQYXYKO-LLVKDONJSA-N -1 0 349.789 3.987 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)/C=C\c1ccc(Cl)cc1)C2 ZINC000321772468 600046135 /nfs/dbraw/zinc/04/61/35/600046135.db2.gz RNNZNHNOTIOLNJ-BAQGIRSFSA-N -1 0 327.767 3.594 20 0 EHADRM Cc1ccc(C(=O)Nc2nc3nc(C)cc(C(=O)[O-])c3s2)c(C)c1 ZINC000738520974 600051276 /nfs/dbraw/zinc/05/12/76/600051276.db2.gz SHLCGOHRUHMNIH-UHFFFAOYSA-N -1 0 341.392 3.567 20 0 EHADRM O=C([O-])C1CCC(NC(=O)C2(c3cccc(Cl)c3)CCC2)CC1 ZINC000319844850 600052555 /nfs/dbraw/zinc/05/25/55/600052555.db2.gz MNGKVAXLYCHAEQ-UHFFFAOYSA-N -1 0 335.831 3.521 20 0 EHADRM O=C([O-])c1cc(F)ccc1Cn1c2ccccc2nc1C(F)(F)F ZINC000740077193 600058913 /nfs/dbraw/zinc/05/89/13/600058913.db2.gz GUMQLKVIYVPLNQ-UHFFFAOYSA-N -1 0 338.260 3.941 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1cc(F)c(Cl)nc1Cl ZINC000739488867 600062559 /nfs/dbraw/zinc/06/25/59/600062559.db2.gz BISQRBHWUCJNAT-UHFFFAOYSA-N -1 0 335.143 3.540 20 0 EHADRM CCCc1ccc([C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])c2cccs2)cc1 ZINC000485648298 600063025 /nfs/dbraw/zinc/06/30/25/600063025.db2.gz PXQAHZBDZZQRMK-UXLLHSPISA-N -1 0 343.448 3.627 20 0 EHADRM Cc1cccc(C[C@@H](CNC(=O)c2sccc2C2CC2)C(=O)[O-])c1 ZINC000362740166 600064385 /nfs/dbraw/zinc/06/43/85/600064385.db2.gz HHQUKGJSLFZDFR-HNNXBMFYSA-N -1 0 343.448 3.607 20 0 EHADRM C/C(=C\C(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccccc1Cl ZINC000736119669 600065291 /nfs/dbraw/zinc/06/52/91/600065291.db2.gz BDIUGGXSJOUDCG-OUKQBFOZSA-N -1 0 343.810 3.800 20 0 EHADRM Cc1cc2[nH]c(C(=O)N3Cc4ccc(C(=O)[O-])cc4C3)cc2c(C)c1 ZINC000738357724 600073374 /nfs/dbraw/zinc/07/33/74/600073374.db2.gz LMEGXOGXPHEDCU-UHFFFAOYSA-N -1 0 334.375 3.639 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000362484092 600081521 /nfs/dbraw/zinc/08/15/21/600081521.db2.gz DVMWNCBSFFIXGV-MCIONIFRSA-N -1 0 343.345 3.630 20 0 EHADRM CC(C)(C)c1ccc(CCCC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000136110279 600081779 /nfs/dbraw/zinc/08/17/79/600081779.db2.gz NWDFVIYIHPNSAM-INIZCTEOSA-N -1 0 331.456 3.630 20 0 EHADRM Cc1ccc2c(CC(=O)Nc3ccc(F)c(NC(=O)[O-])c3)c[nH]c2c1 ZINC000738668089 600086357 /nfs/dbraw/zinc/08/63/57/600086357.db2.gz XVXPKIUSLDFHHI-UHFFFAOYSA-N -1 0 341.342 3.887 20 0 EHADRM Cc1cccc(-c2nnc([C@H](C)N3Cc4ccc(C(=O)[O-])cc4C3)o2)c1 ZINC000738680313 600087007 /nfs/dbraw/zinc/08/70/07/600087007.db2.gz FJEQZJRHWNNPFP-ZDUSSCGKSA-N -1 0 349.390 3.820 20 0 EHADRM CCOc1ccccc1CCC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000737211776 600088652 /nfs/dbraw/zinc/08/86/52/600088652.db2.gz RMBLBKOGFNIQAZ-UHFFFAOYSA-N -1 0 346.358 3.886 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2nc(Cl)ccc2Cl)ccc1F ZINC000740012315 600089397 /nfs/dbraw/zinc/08/93/97/600089397.db2.gz KSWULGWRYCKCPL-UHFFFAOYSA-N -1 0 344.129 3.870 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2cccc3cccnc32)ccc1F ZINC000740013211 600089441 /nfs/dbraw/zinc/08/94/41/600089441.db2.gz ZMMQGJGTQPAFCB-UHFFFAOYSA-N -1 0 325.299 3.716 20 0 EHADRM O=C([O-])c1ccc(-c2nc(CN(CC(F)F)C3CC3)cs2)cc1 ZINC000576949654 600092249 /nfs/dbraw/zinc/09/22/49/600092249.db2.gz RBGZSRFYPYUAOL-UHFFFAOYSA-N -1 0 338.379 3.738 20 0 EHADRM COc1ccc(C2(NC(=O)Nc3cccc(NC(=O)[O-])c3)CC2)cc1 ZINC000737983152 600096381 /nfs/dbraw/zinc/09/63/81/600096381.db2.gz RQQDDRRYRMPMDT-UHFFFAOYSA-N -1 0 341.367 3.596 20 0 EHADRM O=C([O-])[C@H](c1ccc(F)cc1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000580652266 600101854 /nfs/dbraw/zinc/10/18/54/600101854.db2.gz DVHCORPPEQYNJJ-SJORKVTESA-N -1 0 349.789 3.678 20 0 EHADRM O=C([O-])c1ccc(CCc2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000238103733 600105943 /nfs/dbraw/zinc/10/59/43/600105943.db2.gz WVJGKGKVIOGDAL-UHFFFAOYSA-N -1 0 328.755 3.873 20 0 EHADRM O=C([O-])c1ccc(-c2noc(Cc3ccc(-n4cccc4)cc3)n2)cc1 ZINC000740101238 600110906 /nfs/dbraw/zinc/11/09/06/600110906.db2.gz BIUVCQHEPSJZPH-UHFFFAOYSA-N -1 0 345.358 3.816 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000740079237 600113318 /nfs/dbraw/zinc/11/33/18/600113318.db2.gz MKXUHTHMNHDXBN-GDBMZVCRSA-N -1 0 332.302 3.510 20 0 EHADRM Cc1ccn(-c2ccc(-c3nc(-c4ccc(C(=O)[O-])cc4)no3)cc2)n1 ZINC000738789486 600114077 /nfs/dbraw/zinc/11/40/77/600114077.db2.gz JUKGXOJAOSSOSX-UHFFFAOYSA-N -1 0 346.346 3.596 20 0 EHADRM Cc1ccccc1-c1cc(NC(=O)CCc2ccc(C(=O)[O-])cc2)n[nH]1 ZINC000738750121 600116617 /nfs/dbraw/zinc/11/66/17/600116617.db2.gz QGNOOGPDZYKYJA-UHFFFAOYSA-N -1 0 349.390 3.655 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)CSc1ccc(C)cc1 ZINC000736190083 600123369 /nfs/dbraw/zinc/12/33/69/600123369.db2.gz PDSATISFBQDAFI-UHFFFAOYSA-N -1 0 344.388 3.594 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2cc(Cl)c(Cl)[nH]2)ccc1F ZINC000740007888 600123709 /nfs/dbraw/zinc/12/37/09/600123709.db2.gz MRCVJQZGISFPQY-UHFFFAOYSA-N -1 0 332.118 3.803 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)CCc1cccc(Cl)c1 ZINC000736188748 600125818 /nfs/dbraw/zinc/12/58/18/600125818.db2.gz IIMURKQUWHEZIX-UHFFFAOYSA-N -1 0 346.766 3.779 20 0 EHADRM CC[C@@](NC(=O)C12CC3CC(CC(C3)C1)C2)(C(=O)[O-])c1ccccc1 ZINC000736907329 600129214 /nfs/dbraw/zinc/12/92/14/600129214.db2.gz PKCKYZCFECAEHZ-NQHKGHKJSA-N -1 0 341.451 3.709 20 0 EHADRM CCCCc1nc(CN[C@@](CC)(C(=O)[O-])c2ccccc2)cs1 ZINC000737004503 600130706 /nfs/dbraw/zinc/13/07/06/600130706.db2.gz RAJWOIDWOFKYRJ-GOSISDBHSA-N -1 0 332.469 3.965 20 0 EHADRM CC[C@@H](C)[C@H](C(=O)OCC(=O)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC000736869613 600134530 /nfs/dbraw/zinc/13/45/30/600134530.db2.gz GEJJYAIYJKCQJI-PXAZEXFGSA-N -1 0 344.363 3.534 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)Nc1ccccc1C(=O)[O-] ZINC000681682207 600142398 /nfs/dbraw/zinc/14/23/98/600142398.db2.gz UFSSRLBUZVSCFZ-CYBMUJFWSA-N -1 0 327.380 3.601 20 0 EHADRM Cn1c2ccccc2nc1[C@@H]1CCCCN1Cc1occc1C(=O)[O-] ZINC000739012624 600142695 /nfs/dbraw/zinc/14/26/95/600142695.db2.gz LKSUPTQTGGNDBL-INIZCTEOSA-N -1 0 339.395 3.592 20 0 EHADRM C[C@H](OC(=O)c1ccc(-n2cccc2)c(F)c1)c1ccc(C(=O)[O-])o1 ZINC000736687899 600144940 /nfs/dbraw/zinc/14/49/40/600144940.db2.gz FQJJVHJKGMIGMT-NSHDSACASA-N -1 0 343.310 3.826 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000738125480 600148030 /nfs/dbraw/zinc/14/80/30/600148030.db2.gz DDBNGDNBVCCLMI-LBPRGKRZSA-N -1 0 345.370 3.740 20 0 EHADRM O=C([O-])c1ccc(COc2ccc(-c3noc(C4CC4)n3)cc2)cc1 ZINC000740134358 600148475 /nfs/dbraw/zinc/14/84/75/600148475.db2.gz UEDZIAWXSNFWFA-UHFFFAOYSA-N -1 0 336.347 3.891 20 0 EHADRM CCc1[nH]c(C(=O)N[C@@H](C)c2cc(C)cc(C)c2)c(C)c1C(=O)[O-] ZINC000737242377 600148646 /nfs/dbraw/zinc/14/86/46/600148646.db2.gz SWTSCDGTOLFDGI-ZDUSSCGKSA-N -1 0 328.412 3.692 20 0 EHADRM CCCCc1oc2ccccc2c1CN(C)C(=O)C(C)(C)NC(=O)[O-] ZINC000737003824 600151091 /nfs/dbraw/zinc/15/10/91/600151091.db2.gz KGXIASWOCCTIBP-UHFFFAOYSA-N -1 0 346.427 3.780 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)CCc2cccc(Cl)c2)C(=O)[O-])cc1 ZINC000531751929 600158612 /nfs/dbraw/zinc/15/86/12/600158612.db2.gz YRCPFVAKWOUINX-QGZVFWFLSA-N -1 0 345.826 3.566 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)c2sccc2C(C)C)C(=O)[O-])cc1 ZINC000486384458 600159130 /nfs/dbraw/zinc/15/91/30/600159130.db2.gz CTLIGKVFISMXNA-OAHLLOKOSA-N -1 0 331.437 3.778 20 0 EHADRM CC[C@](NC(=O)c1cc(SC)ccc1C)(C(=O)[O-])c1ccccc1 ZINC000262385611 600169896 /nfs/dbraw/zinc/16/98/96/600169896.db2.gz DQTBUVRDXWELSY-LJQANCHMSA-N -1 0 343.448 3.837 20 0 EHADRM Cc1[nH]c(C(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)c(C)c1C(=O)[O-] ZINC000738237446 600170915 /nfs/dbraw/zinc/17/09/15/600170915.db2.gz PXVBXVNJGVNLCV-AWEZNQCLSA-N -1 0 340.423 3.771 20 0 EHADRM CN(Cc1ccc(F)cc1Cl)C(=O)Nc1ccccc1C(=O)[O-] ZINC000737475920 600172176 /nfs/dbraw/zinc/17/21/76/600172176.db2.gz CEZKDHQNJHOMML-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM Cc1cc(C)cc([C@@H](C)NC(=O)Nc2ccc(OCC(=O)[O-])cc2)c1 ZINC000738363155 600177571 /nfs/dbraw/zinc/17/75/71/600177571.db2.gz DTUSCQOOTSTQIX-CQSZACIVSA-N -1 0 342.395 3.650 20 0 EHADRM O=C([O-])c1cccc(NC(=O)NCCc2ccc(F)cc2Cl)c1 ZINC000739430053 600178328 /nfs/dbraw/zinc/17/83/28/600178328.db2.gz MPFHPUMCGHUQPF-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM CCN(C(=O)Nc1cc(C(=O)[O-])ccc1F)[C@@H](C)c1cccnc1 ZINC000737059829 600179907 /nfs/dbraw/zinc/17/99/07/600179907.db2.gz IKXPYNPTFVYXCS-NSHDSACASA-N -1 0 331.347 3.534 20 0 EHADRM C[C@@H](SCc1noc(CCC(=O)[O-])n1)c1ccc(Cl)cc1 ZINC000736709510 600187317 /nfs/dbraw/zinc/18/73/17/600187317.db2.gz UBHWCBMAXJCLFD-SECBINFHSA-N -1 0 326.805 3.735 20 0 EHADRM CC(C)[C@@H](NC(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1Cl ZINC000263261871 600188411 /nfs/dbraw/zinc/18/84/11/600188411.db2.gz QLRYWQSBQCZPBJ-OAHLLOKOSA-N -1 0 338.835 3.543 20 0 EHADRM C/C(=C/C(=O)N[C@@H](CC(=O)[O-])c1cccs1)c1cccc(F)c1 ZINC000236656936 600192059 /nfs/dbraw/zinc/19/20/59/600192059.db2.gz RSRGNSOGMRJLKE-MSKHEQNASA-N -1 0 333.384 3.623 20 0 EHADRM CC(=O)c1ccc(-c2ccc(C(=O)NCCCCCC(=O)[O-])o2)cc1 ZINC000261973948 600194094 /nfs/dbraw/zinc/19/40/94/600194094.db2.gz FESMUZGLHRWROY-UHFFFAOYSA-N -1 0 343.379 3.524 20 0 EHADRM O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)CC[C@H]1CCCCO1 ZINC000325703615 600194942 /nfs/dbraw/zinc/19/49/42/600194942.db2.gz VGZKMXLRCXFEOJ-LLVKDONJSA-N -1 0 345.317 3.691 20 0 EHADRM C/C(=C/C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1)c1cccc(F)c1 ZINC000736120799 600195809 /nfs/dbraw/zinc/19/58/09/600195809.db2.gz LNGSYWNBUXEXBU-GKUQOKNUSA-N -1 0 345.345 3.700 20 0 EHADRM COc1ccc(NC(=O)/C=C(/C)c2cccc(F)c2)c(C(=O)[O-])c1 ZINC000738027977 600195885 /nfs/dbraw/zinc/19/58/85/600195885.db2.gz KQJQHESZFSKMQN-FLIBITNWSA-N -1 0 329.327 3.575 20 0 EHADRM CC[C@@](C)(NC(=O)c1cc(-c2ccccc2)ccc1Cl)C(=O)[O-] ZINC000346021756 600196342 /nfs/dbraw/zinc/19/63/42/600196342.db2.gz DVQMSUZHAVRODD-GOSISDBHSA-N -1 0 331.799 3.990 20 0 EHADRM CC(C)OCc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000324951054 600201448 /nfs/dbraw/zinc/20/14/48/600201448.db2.gz BLZMFOAEANQHDX-UHFFFAOYSA-N -1 0 331.343 3.701 20 0 EHADRM CC(C)(C)c1ccc(OCC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000479486220 600201461 /nfs/dbraw/zinc/20/14/61/600201461.db2.gz MCKMCZVMCKTNDC-UHFFFAOYSA-N -1 0 345.370 3.839 20 0 EHADRM Cc1cc(C)cc(C2(C(=O)Nc3ccc(C(=O)[O-])cc3F)CC2)c1 ZINC000261898432 600201766 /nfs/dbraw/zinc/20/17/66/600201766.db2.gz DLNGFKPHDXSYPN-UHFFFAOYSA-N -1 0 327.355 3.811 20 0 EHADRM C[C@H](OC(=O)C1(c2cccc(F)c2)CC1)c1ccc(C(=O)[O-])cc1 ZINC000738228161 600203087 /nfs/dbraw/zinc/20/30/87/600203087.db2.gz NOMJIRKILFINOL-LBPRGKRZSA-N -1 0 328.339 3.860 20 0 EHADRM C[C@@H](CC(=O)N1CCc2cc(C(=O)[O-])ccc21)c1cccc(F)c1 ZINC000736540952 600206277 /nfs/dbraw/zinc/20/62/77/600206277.db2.gz FEUAQYOCXHDZER-LBPRGKRZSA-N -1 0 327.355 3.607 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000740078870 600207550 /nfs/dbraw/zinc/20/75/50/600207550.db2.gz UYQLQBRHZFDHDY-ZJUUUORDSA-N -1 0 335.281 3.544 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000740105470 600208815 /nfs/dbraw/zinc/20/88/15/600208815.db2.gz VINWMSIDXFEILJ-OAHLLOKOSA-N -1 0 329.783 3.668 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)s1 ZINC000738513483 600213264 /nfs/dbraw/zinc/21/32/64/600213264.db2.gz NEWPIWCHCRQESS-UHFFFAOYSA-N -1 0 327.308 3.608 20 0 EHADRM CC(C)(C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1Cl ZINC000736222741 600214822 /nfs/dbraw/zinc/21/48/22/600214822.db2.gz FSHQHUOAWUWFGA-CYBMUJFWSA-N -1 0 343.810 3.833 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000192942257 600216978 /nfs/dbraw/zinc/21/69/78/600216978.db2.gz BFQLYPRFJLRDDR-HNNXBMFYSA-N -1 0 335.359 3.878 20 0 EHADRM C[C@H]1CCc2sc(C(=O)N3C[C@H](C(=O)[O-])c4ccccc43)cc2C1 ZINC000177480629 600220582 /nfs/dbraw/zinc/22/05/82/600220582.db2.gz SUPKDNDLPWGLDA-FZMZJTMJSA-N -1 0 341.432 3.702 20 0 EHADRM Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)cc1-n1cccc1 ZINC000738503780 600225689 /nfs/dbraw/zinc/22/56/89/600225689.db2.gz AIIOOTQYQIKDDT-KRWDZBQOSA-N -1 0 346.386 3.614 20 0 EHADRM Cc1cc(N(C)C)ccc1NC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000738401743 600226837 /nfs/dbraw/zinc/22/68/37/600226837.db2.gz HGQIGNMOGCCYKE-UHFFFAOYSA-N -1 0 328.372 3.795 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2cc3c(s2)CCCCC3)c2ccccc21 ZINC000177481422 600226930 /nfs/dbraw/zinc/22/69/30/600226930.db2.gz WTIDAKHYPZXKSG-CQSZACIVSA-N -1 0 341.432 3.846 20 0 EHADRM CN(CCc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000737448295 600227494 /nfs/dbraw/zinc/22/74/94/600227494.db2.gz GZDLUEZCEKGQFF-UHFFFAOYSA-N -1 0 332.787 3.745 20 0 EHADRM CC(C)(C)[C@H]1CCCN(C(=O)Nc2ccc(OCC(=O)[O-])cc2)CC1 ZINC000392579001 600239773 /nfs/dbraw/zinc/23/97/73/600239773.db2.gz JUSZSTRDMXNATO-AWEZNQCLSA-N -1 0 348.443 3.830 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000262193937 600240996 /nfs/dbraw/zinc/24/09/96/600240996.db2.gz RKRFDUGTWQUUEZ-MRXNPFEDSA-N -1 0 347.436 3.816 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N2CCC[C@@H]2c2ccco2)ccc1F ZINC000740006182 600241486 /nfs/dbraw/zinc/24/14/86/600241486.db2.gz SHTSVSJCMTWUGN-CYBMUJFWSA-N -1 0 333.319 3.878 20 0 EHADRM CCOc1cc(C(=O)Oc2ccc(C(=O)[O-])cc2C(C)=O)ccc1C ZINC000737193595 600242555 /nfs/dbraw/zinc/24/25/55/600242555.db2.gz TTXBUJFFPXWUDK-UHFFFAOYSA-N -1 0 342.347 3.514 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2cc(Br)ccc2F)c1 ZINC000036753154 600248073 /nfs/dbraw/zinc/24/80/73/600248073.db2.gz QLOXFEMXXWFUMM-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)C[C@@H](C)c1ccccc1C ZINC000738084473 600248475 /nfs/dbraw/zinc/24/84/75/600248475.db2.gz ICKBFKSWQUHWPW-CYBMUJFWSA-N -1 0 328.364 3.801 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(C(=S)Nc1ccc3ccccc3c1)CC2 ZINC000739533124 600248751 /nfs/dbraw/zinc/24/87/51/600248751.db2.gz UXMUWJMCACBDRR-INIZCTEOSA-N -1 0 340.448 3.723 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N[C@H](CC(=O)[O-])c3ccccc3)cc2c1C ZINC000237858526 600254516 /nfs/dbraw/zinc/25/45/16/600254516.db2.gz ZANHTJDXJOQRDL-QGZVFWFLSA-N -1 0 336.391 3.731 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N3[C@H](C(=O)[O-])C[C@H]4CCCC[C@@H]43)cc2c1C ZINC000237810691 600254848 /nfs/dbraw/zinc/25/48/48/600254848.db2.gz LTSQOHAVSPDYTK-BVGQSLNGSA-N -1 0 340.423 3.643 20 0 EHADRM Cc1cc(F)cc2[nH]c(C(=O)Nc3ccc(CCC(=O)[O-])cc3)cc21 ZINC000237665686 600257101 /nfs/dbraw/zinc/25/71/01/600257101.db2.gz YNSLQKVAJYRQGW-UHFFFAOYSA-N -1 0 340.354 3.885 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N3Cc4ccc(C(=O)[O-])cc4C3)cc2c1C ZINC000738663924 600257454 /nfs/dbraw/zinc/25/74/54/600257454.db2.gz FEKVEPFHABSNDP-UHFFFAOYSA-N -1 0 334.375 3.639 20 0 EHADRM O=C([O-])CN(Cc1cc(Br)cs1)Cc1ccccc1 ZINC000692436938 600260674 /nfs/dbraw/zinc/26/06/74/600260674.db2.gz OCODOWDLRLQXGQ-UHFFFAOYSA-N -1 0 340.242 3.597 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000738534670 600267359 /nfs/dbraw/zinc/26/73/59/600267359.db2.gz ZTPUMAWTOPSKLB-SFHVURJKSA-N -1 0 338.407 3.836 20 0 EHADRM Cc1cc(F)cc2[nH]c(C(=O)O[C@H](C(=O)[O-])c3ccccc3)cc21 ZINC000738396808 600268035 /nfs/dbraw/zinc/26/80/35/600268035.db2.gz LDJARCSXKKTPFH-INIZCTEOSA-N -1 0 327.311 3.598 20 0 EHADRM CCc1[nH]c(C(=O)Nc2ccnc(-c3ccccc3)c2)c(C)c1C(=O)[O-] ZINC000737246416 600273510 /nfs/dbraw/zinc/27/35/10/600273510.db2.gz TZFIIGLOAKCRME-UHFFFAOYSA-N -1 0 349.390 3.898 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCC(c3ccccc3F)CC2)cc1 ZINC000738684436 600275712 /nfs/dbraw/zinc/27/57/12/600275712.db2.gz ZPUSATMRBKQBJQ-UHFFFAOYSA-N -1 0 342.370 3.935 20 0 EHADRM COC(=O)c1cc(CSc2nc3ccc(C(=O)[O-])cc3o2)oc1C ZINC000737653913 600278519 /nfs/dbraw/zinc/27/85/19/600278519.db2.gz MMKWZUSJHXYNGN-UHFFFAOYSA-N -1 0 347.348 3.506 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)c1ccccc1 ZINC000736548323 600282357 /nfs/dbraw/zinc/28/23/57/600282357.db2.gz KKDUDJCMFSBAMO-AWEZNQCLSA-N -1 0 326.396 3.929 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)NCCc2cccc(F)c2)c1 ZINC000322368677 600284719 /nfs/dbraw/zinc/28/47/19/600284719.db2.gz JZAXOHDEJOYRLB-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N[C@H]2CCOc3ccccc32)c1 ZINC000325424816 600284917 /nfs/dbraw/zinc/28/49/17/600284917.db2.gz XSMQDNYVVDQESX-AWEZNQCLSA-N -1 0 346.770 3.684 20 0 EHADRM Cc1ccccc1SCC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000738784282 600286366 /nfs/dbraw/zinc/28/63/66/600286366.db2.gz DJFRNTUNVJJGEE-UHFFFAOYSA-N -1 0 344.436 3.836 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000739986589 600295544 /nfs/dbraw/zinc/29/55/44/600295544.db2.gz PQSPAFVFDMKAIG-BJMVGYQFSA-N -1 0 330.771 3.760 20 0 EHADRM C/C(=C\C(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000736121443 600295650 /nfs/dbraw/zinc/29/56/50/600295650.db2.gz QSPGAVYGRSIKGG-ZRDIBKRKSA-N -1 0 328.343 3.635 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cc1 ZINC000739986074 600297512 /nfs/dbraw/zinc/29/75/12/600297512.db2.gz LZLOZKXHFYCORU-UHFFFAOYSA-N -1 0 344.798 3.778 20 0 EHADRM CC[C@](NCc1cc(-c2cccs2)on1)(C(=O)[O-])c1ccccc1 ZINC000736914971 600305680 /nfs/dbraw/zinc/30/56/80/600305680.db2.gz AJDMPZIYZPALHG-GOSISDBHSA-N -1 0 342.420 3.883 20 0 EHADRM CN(Cc1csc(Cc2ccc(Cl)cc2)n1)C(C)(C)C(=O)[O-] ZINC000737496735 600309630 /nfs/dbraw/zinc/30/96/30/600309630.db2.gz HONIIGZBLMCQNA-UHFFFAOYSA-N -1 0 338.860 3.682 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N(CCc2cccc(F)c2)C2CC2)c1 ZINC000740227225 600315590 /nfs/dbraw/zinc/31/55/90/600315590.db2.gz BGHJDVZJISYANH-UHFFFAOYSA-N -1 0 342.370 3.763 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccnc2ccccc21)c1cccc(Cl)c1 ZINC000740300997 600322985 /nfs/dbraw/zinc/32/29/85/600322985.db2.gz YWDBQCRDNPSUEH-MRXNPFEDSA-N -1 0 341.750 3.871 20 0 EHADRM CC(C)Oc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)cn1 ZINC000736490713 600324963 /nfs/dbraw/zinc/32/49/63/600324963.db2.gz FFVFMFISXNPNPL-HNNXBMFYSA-N -1 0 349.770 3.505 20 0 EHADRM CC(C)Oc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)cn1 ZINC000736490714 600325079 /nfs/dbraw/zinc/32/50/79/600325079.db2.gz FFVFMFISXNPNPL-OAHLLOKOSA-N -1 0 349.770 3.505 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cccc2ncccc21)c1cccc(Cl)c1 ZINC000740299048 600325238 /nfs/dbraw/zinc/32/52/38/600325238.db2.gz MUDCQSWBPNTMGL-MRXNPFEDSA-N -1 0 341.750 3.871 20 0 EHADRM O=C([O-])[C@H](OC(=O)C(F)(F)c1ccccc1)c1cccc(Cl)c1 ZINC000739515087 600325817 /nfs/dbraw/zinc/32/58/17/600325817.db2.gz ZDJJDEWWMLLXQX-CYBMUJFWSA-N -1 0 340.709 3.801 20 0 EHADRM Cc1ccccc1NC(=O)[C@@H](C)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000738778736 600326437 /nfs/dbraw/zinc/32/64/37/600326437.db2.gz UFGZKSPJOYAIJI-CQSZACIVSA-N -1 0 341.411 3.544 20 0 EHADRM COc1cccc([C@H](C)C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000738088869 600327805 /nfs/dbraw/zinc/32/78/05/600327805.db2.gz AUSORWLRHFSBDW-MEDUHNTESA-N -1 0 348.782 3.821 20 0 EHADRM O=C([O-])NCc1ccc(NCc2ccc(Br)cc2)cc1 ZINC000740000174 600329398 /nfs/dbraw/zinc/32/93/98/600329398.db2.gz GRDBJYQXVQIILD-UHFFFAOYSA-N -1 0 335.201 3.829 20 0 EHADRM CCc1cccc(CC)c1NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405388883 600333367 /nfs/dbraw/zinc/33/33/67/600333367.db2.gz IJBFLZNYZYVWPF-HNNXBMFYSA-N -1 0 330.428 3.530 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)Nc2cc(Cl)ccc2F)cc1 ZINC000739990318 600334886 /nfs/dbraw/zinc/33/48/86/600334886.db2.gz AORMJQZCXYRBAP-UHFFFAOYSA-N -1 0 337.738 3.891 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C[NH+]1CCC(Cc2ccccc2F)CC1 ZINC000563282345 600337948 /nfs/dbraw/zinc/33/79/48/600337948.db2.gz JTCPNAFNHRWZRA-UHFFFAOYSA-N -1 0 331.387 3.880 20 0 EHADRM CSCc1cccc(NC(=O)Nc2ccc(CNC(=O)[O-])cc2)c1 ZINC000738196139 600339789 /nfs/dbraw/zinc/33/97/89/600339789.db2.gz NLKHBQGOWJRKNF-UHFFFAOYSA-N -1 0 345.424 3.961 20 0 EHADRM CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736940700 600344172 /nfs/dbraw/zinc/34/41/72/600344172.db2.gz HCNWGEZLRXWHQP-GOEBONIOSA-N -1 0 333.432 3.887 20 0 EHADRM CCC1(C)CCN(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)CC1 ZINC000736930377 600344937 /nfs/dbraw/zinc/34/49/37/600344937.db2.gz UURXWPNKSBTYPU-UHFFFAOYSA-N -1 0 333.432 3.840 20 0 EHADRM CCC1CCC(NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)CC1 ZINC000736942087 600345842 /nfs/dbraw/zinc/34/58/42/600345842.db2.gz SZMOHVPVEHCYIL-UHFFFAOYSA-N -1 0 333.432 3.887 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)c2ccccc21 ZINC000736813745 600347326 /nfs/dbraw/zinc/34/73/26/600347326.db2.gz UQUYKXHSZOVRSK-ZDUSSCGKSA-N -1 0 339.395 3.952 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)NCC2CCCCCCC2)cc1 ZINC000739988131 600351631 /nfs/dbraw/zinc/35/16/31/600351631.db2.gz NSOHDBSDKDOXTB-UHFFFAOYSA-N -1 0 333.432 3.936 20 0 EHADRM CCC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736973971 600352380 /nfs/dbraw/zinc/35/23/80/600352380.db2.gz LDNKDOSAEDOXNU-HOCLYGCPSA-N -1 0 333.432 3.935 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)C(C)C ZINC000738757647 600353634 /nfs/dbraw/zinc/35/36/34/600353634.db2.gz DCWLPECWSMTYGL-SJORKVTESA-N -1 0 344.455 3.588 20 0 EHADRM O=C([O-])c1sc2ccccc2c1Cn1ccc2occc2c1=O ZINC000740281036 600362990 /nfs/dbraw/zinc/36/29/90/600362990.db2.gz NUWJZFNTTXRHRP-UHFFFAOYSA-N -1 0 325.345 3.556 20 0 EHADRM O=C([O-])Nc1ccc(CCNc2ncccc2C(F)(F)F)cc1 ZINC000740024260 600364646 /nfs/dbraw/zinc/36/46/46/600364646.db2.gz BXLRDUVWWKBYNU-UHFFFAOYSA-N -1 0 325.290 3.845 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)Cc1csc(-c2ccoc2)n1 ZINC000120201794 600366861 /nfs/dbraw/zinc/36/68/61/600366861.db2.gz ZZSYHQBPMNYLGI-UHFFFAOYSA-N -1 0 342.376 3.591 20 0 EHADRM Cc1cc(NC(=O)C(F)(F)c2ccc(F)cc2)sc1C(=O)[O-] ZINC000738418791 600369094 /nfs/dbraw/zinc/36/90/94/600369094.db2.gz SGQUXCCQKNRRLG-UHFFFAOYSA-N -1 0 329.299 3.624 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC000736618716 600371010 /nfs/dbraw/zinc/37/10/10/600371010.db2.gz SSGKDXRGHUNKEV-BBRMVZONSA-N -1 0 330.405 3.784 20 0 EHADRM Cc1cc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCC3)sc1C(=O)[O-] ZINC000738417271 600373088 /nfs/dbraw/zinc/37/30/88/600373088.db2.gz IJLUWBKNFGVTEQ-NSHDSACASA-N -1 0 345.420 3.649 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)CC/C=C/c1ccccc1 ZINC000675948037 600373417 /nfs/dbraw/zinc/37/34/17/600373417.db2.gz WYRIIPQJMGYRSC-YRNVUSSQSA-N -1 0 337.419 3.984 20 0 EHADRM Cc1oc(-c2ccccc2F)nc1C(=O)NCCCCCCC(=O)[O-] ZINC000738956254 600374114 /nfs/dbraw/zinc/37/41/14/600374114.db2.gz PYHZYTXDHUEVSR-UHFFFAOYSA-N -1 0 348.374 3.554 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000736625830 600374461 /nfs/dbraw/zinc/37/44/61/600374461.db2.gz HMTOEAOPZLZWCA-SECBINFHSA-N -1 0 337.297 3.619 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)[C@H](C)c1cccs1 ZINC000737870092 600374488 /nfs/dbraw/zinc/37/44/88/600374488.db2.gz CPHUCWXJUWWOEV-LXSSAFMLSA-N -1 0 332.377 3.564 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)[C@H](C)c1cccs1 ZINC000737870089 600374538 /nfs/dbraw/zinc/37/45/38/600374538.db2.gz CPHUCWXJUWWOEV-BPOWMSRESA-N -1 0 332.377 3.564 20 0 EHADRM CCC[C@](C)(NC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000236824314 600374852 /nfs/dbraw/zinc/37/48/52/600374852.db2.gz RIQBCSHNHGPGTC-BZNIZROVSA-N -1 0 345.361 3.644 20 0 EHADRM CCC[C@](C)(NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000236810722 600374864 /nfs/dbraw/zinc/37/48/64/600374864.db2.gz JOQLWJWAPRFPNY-ZBEGNZNMSA-N -1 0 345.361 3.959 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CC/C=C\c1ccccc1)c1cc(F)ccc1F ZINC000739234570 600377755 /nfs/dbraw/zinc/37/77/55/600377755.db2.gz HJUVUVBUSQBIBE-MSEQUDFZSA-N -1 0 345.345 3.700 20 0 EHADRM O=C([O-])[C@H](Sc1nnc(NC2CC2)s1)c1cccc(Cl)c1 ZINC000739512970 600378201 /nfs/dbraw/zinc/37/82/01/600378201.db2.gz QTYYEMXNKYQLMD-SNVBAGLBSA-N -1 0 341.845 3.684 20 0 EHADRM O=C([O-])[C@@H](Sc1nnc(NC2CC2)s1)c1cccc(Cl)c1 ZINC000739512961 600378365 /nfs/dbraw/zinc/37/83/65/600378365.db2.gz QTYYEMXNKYQLMD-JTQLQIEISA-N -1 0 341.845 3.684 20 0 EHADRM CC(C)Oc1nnc(S[C@@H](C(=O)[O-])c2cccc(Cl)c2)s1 ZINC000736492575 600378770 /nfs/dbraw/zinc/37/87/70/600378770.db2.gz HDOVCXKKOIIKGS-SNVBAGLBSA-N -1 0 344.845 3.897 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)COc1c(C)cccc1C)c1ccccc1 ZINC000736853507 600378806 /nfs/dbraw/zinc/37/88/06/600378806.db2.gz UKXYUTPPTOHWIV-QGZVFWFLSA-N -1 0 341.407 3.579 20 0 EHADRM C[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)c1cccs1 ZINC000736213749 600378940 /nfs/dbraw/zinc/37/89/40/600378940.db2.gz BKSHQEFVDNLFSB-QMMMGPOBSA-N -1 0 341.335 3.790 20 0 EHADRM CCOc1ccccc1C(=O)N(c1ccccc1)[C@@H](CC)C(=O)[O-] ZINC000737213233 600379604 /nfs/dbraw/zinc/37/96/04/600379604.db2.gz ORSLXTMHIJWSRN-INIZCTEOSA-N -1 0 327.380 3.595 20 0 EHADRM CCc1sc(C(=O)NCCc2ccc(NC(=O)[O-])cc2)cc1C ZINC000737291575 600381566 /nfs/dbraw/zinc/38/15/66/600381566.db2.gz DFTMPRDTGHIYPS-UHFFFAOYSA-N -1 0 332.425 3.681 20 0 EHADRM CCOc1ccc([C@@H](C)NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000737195434 600382107 /nfs/dbraw/zinc/38/21/07/600382107.db2.gz NXAVNNAJVGIWTL-LLVKDONJSA-N -1 0 346.358 3.805 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@H](C)c1ccc(OC)cc1)c1ccccc1 ZINC000736847522 600384419 /nfs/dbraw/zinc/38/44/19/600384419.db2.gz LJJJREKUIXSNIM-RDTXWAMCSA-N -1 0 341.407 3.695 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@@H]2CCc3c2cccc3Cl)ccc1F ZINC000739473302 600389540 /nfs/dbraw/zinc/38/95/40/600389540.db2.gz WKZJMHWYFRXARE-OAHLLOKOSA-N -1 0 348.761 3.986 20 0 EHADRM Cc1cccc([C@@H]2CCCCCN2C(=O)CCSCC(=O)[O-])c1 ZINC000738688322 600391115 /nfs/dbraw/zinc/39/11/15/600391115.db2.gz ZRKKVAZWAKOZAI-INIZCTEOSA-N -1 0 335.469 3.647 20 0 EHADRM C/C(=C/C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1)C1CC1 ZINC000236655332 600391362 /nfs/dbraw/zinc/39/13/62/600391362.db2.gz KTXJGWOHJPXSFF-MOJYJUKOSA-N -1 0 329.440 3.972 20 0 EHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H]2CC=CCC2)cc1 ZINC000236605286 600393021 /nfs/dbraw/zinc/39/30/21/600393021.db2.gz WBTAHOMXRNEWKV-DOTOQJQBSA-N -1 0 329.440 3.972 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)N(CC2CC2)C2CCCCC2)cc1 ZINC000739877971 600393311 /nfs/dbraw/zinc/39/33/11/600393311.db2.gz VRMZQGPHVYJDQN-UHFFFAOYSA-N -1 0 330.428 3.890 20 0 EHADRM Cc1cccc([C@@H]2CCCCCN2C(=O)c2ccc(C(=O)[O-])cn2)c1 ZINC000190648792 600395738 /nfs/dbraw/zinc/39/57/38/600395738.db2.gz XTTYFJPHGZLMFS-SFHVURJKSA-N -1 0 338.407 3.846 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000736420651 600396250 /nfs/dbraw/zinc/39/62/50/600396250.db2.gz IZCTYFNQEZIETC-JOYOIKCWSA-N -1 0 347.242 3.853 20 0 EHADRM O=C([O-])[C@@H](c1ccccc1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000570583334 600397120 /nfs/dbraw/zinc/39/71/20/600397120.db2.gz FCBZAUJYEDWERR-IAGOWNOFSA-N -1 0 331.799 3.539 20 0 EHADRM CN(Cc1cc(Br)cs1)[C@H](C(=O)[O-])c1ccccc1 ZINC000042399764 600397445 /nfs/dbraw/zinc/39/74/45/600397445.db2.gz GXLKZOXLPRUBSJ-ZDUSSCGKSA-N -1 0 340.242 3.768 20 0 EHADRM C[C@@H](CC(=O)NCCCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000237420950 600398669 /nfs/dbraw/zinc/39/86/69/600398669.db2.gz OCRPXVDCZCQMPS-NSHDSACASA-N -1 0 331.334 3.570 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c(F)c1 ZINC000739466776 600399612 /nfs/dbraw/zinc/39/96/12/600399612.db2.gz JXURCSFYBYQVSX-VHSXEESVSA-N -1 0 348.296 3.767 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)c(F)c1 ZINC000740145681 600400636 /nfs/dbraw/zinc/40/06/36/600400636.db2.gz DYNUPKFJVSFVBE-KCXRBIIJSA-N -1 0 332.375 3.566 20 0 EHADRM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000565101669 600403193 /nfs/dbraw/zinc/40/31/93/600403193.db2.gz SCMBVWYXYSSNLE-IRXDYDNUSA-N -1 0 349.789 3.678 20 0 EHADRM CC(C)(C)/C=C/C(=O)Oc1ccc(C(=O)[O-])cc1Br ZINC000736251752 600404700 /nfs/dbraw/zinc/40/47/00/600404700.db2.gz TZMSKROWYYAXSH-VOTSOKGWSA-N -1 0 327.174 3.655 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)[C@@H](C)CC1CCCC1 ZINC000737873162 600405194 /nfs/dbraw/zinc/40/51/94/600405194.db2.gz QMVMLURTHSXIBT-KJJQSCHISA-N -1 0 332.396 3.915 20 0 EHADRM O=C([O-])[C@H](c1ccccc1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000565898363 600405640 /nfs/dbraw/zinc/40/56/40/600405640.db2.gz QFJQTPJOTZHBIE-SJORKVTESA-N -1 0 331.799 3.539 20 0 EHADRM CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000736352357 600409525 /nfs/dbraw/zinc/40/95/25/600409525.db2.gz BVPMVQCVCLTOLC-GFCCVEGCSA-N -1 0 345.361 3.753 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC000486404367 600414088 /nfs/dbraw/zinc/41/40/88/600414088.db2.gz LUQYNPQPLGZQMA-AEFFLSMTSA-N -1 0 331.456 3.886 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)/C=C/c1cccc(OC2CCCC2)c1 ZINC000236842328 600414903 /nfs/dbraw/zinc/41/49/03/600414903.db2.gz CDPDXDOJHSILBE-ZHACJKMWSA-N -1 0 345.439 3.781 20 0 EHADRM O=C([O-])[C@H](Nc1cccc(NC(=O)C2CC2)c1)c1cccc(Cl)c1 ZINC000739484740 600421016 /nfs/dbraw/zinc/42/10/16/600421016.db2.gz BEZLHAADRVEAGS-MRXNPFEDSA-N -1 0 344.798 3.926 20 0 EHADRM O=C([O-])c1ccc(OC(=O)c2ncoc2-c2ccccc2)c(Cl)c1 ZINC000740162295 600425558 /nfs/dbraw/zinc/42/55/58/600425558.db2.gz XYTFVAKOHZYUEY-UHFFFAOYSA-N -1 0 343.722 3.912 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)c2ccc(SC(F)(F)F)cc2)c1 ZINC000391331267 600433803 /nfs/dbraw/zinc/43/38/03/600433803.db2.gz WUBXZKHXDDZVJS-UHFFFAOYSA-N -1 0 342.298 3.644 20 0 EHADRM Cc1ccc2c(CC(=O)O[C@H](C(=O)[O-])c3ccc(F)cc3)coc2c1 ZINC000738666099 600445589 /nfs/dbraw/zinc/44/55/89/600445589.db2.gz SNBIJFLRKZBBTO-SFHVURJKSA-N -1 0 342.322 3.792 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1csc2c1CCCC2)c1ccc(F)cc1 ZINC000740291589 600448102 /nfs/dbraw/zinc/44/81/02/600448102.db2.gz MKCMEBGIOBZTHA-OAHLLOKOSA-N -1 0 334.368 3.749 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccc2cc(O)ccc2c1)c1ccc(F)cc1 ZINC000740292972 600449778 /nfs/dbraw/zinc/44/97/78/600449778.db2.gz SQEWUXMZWQSNOX-QGZVFWFLSA-N -1 0 340.306 3.667 20 0 EHADRM C[C@H]1CCCC[C@H]1CCNC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000736780961 600451275 /nfs/dbraw/zinc/45/12/75/600451275.db2.gz MRGOVTODUPVSIM-HOCLYGCPSA-N -1 0 332.444 3.743 20 0 EHADRM CC(C)Oc1ccccc1CC(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736493220 600453713 /nfs/dbraw/zinc/45/37/13/600453713.db2.gz OZERXARLRVTZFO-GOSISDBHSA-N -1 0 346.354 3.525 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)O[C@@H](C(=O)[O-])c2ccccc2)s1 ZINC000738465183 600454943 /nfs/dbraw/zinc/45/49/43/600454943.db2.gz RTVWBUVRJLVOFU-LLVKDONJSA-N -1 0 342.319 3.641 20 0 EHADRM Cc1c(NC(=O)NCC(C)(C)c2cccs2)cccc1C(=O)[O-] ZINC000390920391 600455260 /nfs/dbraw/zinc/45/52/60/600455260.db2.gz GQNIYTWPELSOFL-UHFFFAOYSA-N -1 0 332.425 3.854 20 0 EHADRM CCc1ccc([C@H](C)C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000737258118 600455544 /nfs/dbraw/zinc/45/55/44/600455544.db2.gz XOJMTOXPRWKVJG-YVEFUNNKSA-N -1 0 330.355 3.861 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)NCC2CCCCCCC2)cc1 ZINC000740017312 600457524 /nfs/dbraw/zinc/45/75/24/600457524.db2.gz HHCJNOOUBXAYGA-UHFFFAOYSA-N -1 0 347.459 3.979 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cc2cc(F)ccc2o1)c1ccc(F)cc1 ZINC000740288449 600458024 /nfs/dbraw/zinc/45/80/24/600458024.db2.gz AJBPSCDMXSDKPE-HNNXBMFYSA-N -1 0 332.258 3.694 20 0 EHADRM CCC[C@H]1CCCC[C@H]1NC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736972759 600459075 /nfs/dbraw/zinc/45/90/75/600459075.db2.gz GKDHLVRNABAZAY-DOTOQJQBSA-N -1 0 347.459 3.977 20 0 EHADRM CCc1ccc([C@H]2CCCN2C(=O)Nc2ccc(C(=O)[O-])cc2)o1 ZINC000737259339 600462429 /nfs/dbraw/zinc/46/24/29/600462429.db2.gz OXBFYQGNZAULPJ-OAHLLOKOSA-N -1 0 328.368 3.909 20 0 EHADRM CC[C@@H](NC(=O)NCCc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000736914296 600463644 /nfs/dbraw/zinc/46/36/44/600463644.db2.gz OLYAHJGHVJHLNA-QGZVFWFLSA-N -1 0 341.411 3.770 20 0 EHADRM O=C([O-])c1ccc(CNC(=S)Nc2ccc(Cl)cc2Cl)o1 ZINC000740130778 600467656 /nfs/dbraw/zinc/46/76/56/600467656.db2.gz MFZVDXJYTGREBF-UHFFFAOYSA-N -1 0 345.207 3.771 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)NC2(c3ccc(Cl)cc3)CC2)cc1 ZINC000739878168 600468887 /nfs/dbraw/zinc/46/88/87/600468887.db2.gz APEQISIFQDWOSO-UHFFFAOYSA-N -1 0 344.798 3.778 20 0 EHADRM CC[C@@H](C)[C@H](C(=O)N(C)c1nc(CC(=O)[O-])cs1)c1ccccc1 ZINC000736868886 600470121 /nfs/dbraw/zinc/47/01/21/600470121.db2.gz BWHMRWXSIWQOHS-WBMJQRKESA-N -1 0 346.452 3.563 20 0 EHADRM Cc1cc(-c2ccccc2)ccc1NC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000579333036 600474368 /nfs/dbraw/zinc/47/43/68/600474368.db2.gz NGKNCQYCNYFPFX-KRWDZBQOSA-N -1 0 338.407 3.991 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000347417079 600477421 /nfs/dbraw/zinc/47/74/21/600477421.db2.gz MMQAAYRPOYRDAG-OAHLLOKOSA-N -1 0 345.395 3.575 20 0 EHADRM C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000736835993 600478267 /nfs/dbraw/zinc/47/82/67/600478267.db2.gz HDXCMRBDNKSADD-JTQLQIEISA-N -1 0 346.333 3.814 20 0 EHADRM CN(C)c1ccc(CCC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000392042088 600478822 /nfs/dbraw/zinc/47/88/22/600478822.db2.gz PMVAEAPQTLGFJA-UHFFFAOYSA-N -1 0 346.814 3.676 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000738195012 600478886 /nfs/dbraw/zinc/47/88/86/600478886.db2.gz QCBMNTFTOQMYBD-UHFFFAOYSA-N -1 0 345.376 3.517 20 0 EHADRM O=C([O-])c1cccc(C(=O)Oc2ccc(Br)c(F)c2)c1 ZINC000740220046 600480319 /nfs/dbraw/zinc/48/03/19/600480319.db2.gz DPFQXTYLIDJGTF-UHFFFAOYSA-N -1 0 339.116 3.506 20 0 EHADRM O=C([O-])c1ccc(NC(=O)COc2cccc(Cl)c2)cc1Cl ZINC000314666676 600481036 /nfs/dbraw/zinc/48/10/36/600481036.db2.gz OXSJRQRJKQAWNG-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)C=C(C2CC2)C2CC2)cc1 ZINC000271890774 600481758 /nfs/dbraw/zinc/48/17/58/600481758.db2.gz KJBHZMTTYJZAHM-UHFFFAOYSA-N -1 0 329.396 3.615 20 0 EHADRM Cc1cccc(CCC(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c1 ZINC000237627096 600482046 /nfs/dbraw/zinc/48/20/46/600482046.db2.gz OMWYEKPRFLDLGC-UHFFFAOYSA-N -1 0 341.407 3.810 20 0 EHADRM C[C@@H]1SCCN(C(=O)c2ccc(C(=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000237386567 600482365 /nfs/dbraw/zinc/48/23/65/600482365.db2.gz JJJDNFLRJIPHQG-GUYCJALGSA-N -1 0 341.432 3.704 20 0 EHADRM C[C@H]1CCCC[C@@H]1CC(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000537370841 600483516 /nfs/dbraw/zinc/48/35/16/600483516.db2.gz QBICUVQNJBQTGO-DOTOQJQBSA-N -1 0 347.455 3.763 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)/C=C\c2ccccc2)cc1 ZINC000739686883 600483863 /nfs/dbraw/zinc/48/38/63/600483863.db2.gz WXJYBCOZKIHLHK-JYRVWZFOSA-N -1 0 325.364 3.582 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc3ccccc3[nH]c2=O)cc1Cl ZINC000740150545 600488352 /nfs/dbraw/zinc/48/83/52/600488352.db2.gz TXQCNGCYUTYFOU-UHFFFAOYSA-N -1 0 342.738 3.544 20 0 EHADRM Cc1cc(NC(=O)C[C@H](C)C(=O)c2ccccc2)ccc1C(=O)[O-] ZINC000738424860 600493471 /nfs/dbraw/zinc/49/34/71/600493471.db2.gz ODTXXXPJZKCKPT-ZDUSSCGKSA-N -1 0 325.364 3.541 20 0 EHADRM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)c1ccc(C(=O)[O-])nc1 ZINC000351965336 600496422 /nfs/dbraw/zinc/49/64/22/600496422.db2.gz TWUVRNGMVRJPCN-KRWDZBQOSA-N -1 0 326.396 3.558 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1cccc(Cl)c1Cl ZINC000263230037 600497483 /nfs/dbraw/zinc/49/74/83/600497483.db2.gz MGXGWCFPELKNAN-VHSXEESVSA-N -1 0 345.226 3.561 20 0 EHADRM CC(C)CO[C@H]1C[C@@H](OC(=O)c2cccc(NC(=O)[O-])c2)C1(C)C ZINC000736445162 600511627 /nfs/dbraw/zinc/51/16/27/600511627.db2.gz YRVJTZNYAOILNY-LSDHHAIUSA-N -1 0 335.400 3.773 20 0 EHADRM CC(C)n1cc([C@H](C)NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cn1 ZINC000736649618 600512165 /nfs/dbraw/zinc/51/21/65/600512165.db2.gz USMQNBTZWHMTLQ-JTQLQIEISA-N -1 0 349.366 3.576 20 0 EHADRM CN(C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)C1Cc2ccccc2C1 ZINC000737327265 600512177 /nfs/dbraw/zinc/51/21/77/600512177.db2.gz FXORCTZGTKEVBN-UHFFFAOYSA-N -1 0 344.798 3.669 20 0 EHADRM CC1(C)C[C@H]1CNC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000736726859 600512617 /nfs/dbraw/zinc/51/26/17/600512617.db2.gz ROFDNVSSBCIJAB-ZDUSSCGKSA-N -1 0 336.457 3.562 20 0 EHADRM CC(C)(C)SCCNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000398127699 600515213 /nfs/dbraw/zinc/51/52/13/600515213.db2.gz RXHHSEKLEVKHLF-UHFFFAOYSA-N -1 0 330.837 3.691 20 0 EHADRM C[C@@H](c1ccccn1)N(C)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000736722245 600515272 /nfs/dbraw/zinc/51/52/72/600515272.db2.gz BQIQVMXPQNVWOD-JTQLQIEISA-N -1 0 333.775 3.658 20 0 EHADRM CCN(C(=O)c1ccc(-n2ccc(C)n2)cc1)c1ccccc1C(=O)[O-] ZINC000737057659 600524421 /nfs/dbraw/zinc/52/44/21/600524421.db2.gz ISDLUWDHHLORDQ-UHFFFAOYSA-N -1 0 349.390 3.546 20 0 EHADRM COc1c(Cl)cc(Cl)cc1CNCc1ccc(C(=O)[O-])o1 ZINC000737840489 600524619 /nfs/dbraw/zinc/52/46/19/600524619.db2.gz VWCGZVSLXYQTOG-UHFFFAOYSA-N -1 0 330.167 3.583 20 0 EHADRM C[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccccc1-c1ccc(Cl)cc1 ZINC000736633077 600529913 /nfs/dbraw/zinc/52/99/13/600529913.db2.gz KDVHEQDZLBMACO-JECHBYEQSA-N -1 0 343.810 3.905 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)o1 ZINC000739437401 600530574 /nfs/dbraw/zinc/53/05/74/600530574.db2.gz HLTKFFWCHBMUPY-HZPDHXFCSA-N -1 0 342.395 3.503 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)[O-] ZINC000675986733 600533545 /nfs/dbraw/zinc/53/35/45/600533545.db2.gz NEZKMAXEJWYZPW-OAHLLOKOSA-N -1 0 345.420 3.537 20 0 EHADRM Cc1[nH]c(C(=O)N(C)[C@@H](c2ccccc2)C(C)C)c(C)c1C(=O)[O-] ZINC000738155565 600538794 /nfs/dbraw/zinc/53/87/94/600538794.db2.gz PZOIMRUHSVXVKF-QGZVFWFLSA-N -1 0 328.412 3.799 20 0 EHADRM Cc1[nH]c(C(=O)N(C)[C@H](c2ccccc2)C(C)C)c(C)c1C(=O)[O-] ZINC000738155562 600538994 /nfs/dbraw/zinc/53/89/94/600538994.db2.gz PZOIMRUHSVXVKF-KRWDZBQOSA-N -1 0 328.412 3.799 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)NC/C=C\c2ccccc2)cc1 ZINC000737332077 600547280 /nfs/dbraw/zinc/54/72/80/600547280.db2.gz NTCCSFCLMPAOQR-YVMONPNESA-N -1 0 325.368 3.636 20 0 EHADRM CSCCCCC(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000738190261 600548709 /nfs/dbraw/zinc/54/87/09/600548709.db2.gz FXXNVWZDOADGQH-UHFFFAOYSA-N -1 0 337.466 3.749 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)Nc1cccc(N2CCC(C)CC2)c1 ZINC000736417530 600550335 /nfs/dbraw/zinc/55/03/35/600550335.db2.gz VQGFNAQHZAKQFG-KRWDZBQOSA-N -1 0 347.459 3.544 20 0 EHADRM Cc1cccc(C)c1Oc1ccccc1NC(=O)NCCC(=O)[O-] ZINC000738688297 600550624 /nfs/dbraw/zinc/55/06/24/600550624.db2.gz ZBLWQLPQEUVXGV-UHFFFAOYSA-N -1 0 328.368 3.692 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC000736927251 600551678 /nfs/dbraw/zinc/55/16/78/600551678.db2.gz CCXNLHMSVLVCIW-ZDUSSCGKSA-N -1 0 326.776 3.681 20 0 EHADRM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000736703024 600551796 /nfs/dbraw/zinc/55/17/96/600551796.db2.gz JWTIDUGHYFVFRQ-SSDOTTSWSA-N -1 0 343.763 3.645 20 0 EHADRM C[C@H]1CCCC[C@H]1OCC(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000736784396 600551888 /nfs/dbraw/zinc/55/18/88/600551888.db2.gz IJQSVCAPCDTOME-IINYFYTJSA-N -1 0 325.792 3.572 20 0 EHADRM CC(C)[C@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000236626627 600553385 /nfs/dbraw/zinc/55/33/85/600553385.db2.gz IXLZVLAPZOGZKG-GXFFZTMASA-N -1 0 347.333 3.509 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000236752633 600561810 /nfs/dbraw/zinc/56/18/10/600561810.db2.gz YDZOIBUWZZHXIM-ROUUACIJSA-N -1 0 325.408 3.655 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)[C@@H](C)Sc1ccccc1Cl ZINC000236744476 600563444 /nfs/dbraw/zinc/56/34/44/600563444.db2.gz TXMKKSUHYDKPEE-LLVKDONJSA-N -1 0 329.849 3.532 20 0 EHADRM CC(C)(CNC(=O)c1ccc(C(=O)[O-])cc1)c1ccc(F)cc1Cl ZINC000736321807 600564472 /nfs/dbraw/zinc/56/44/72/600564472.db2.gz IHVXKLKHLFNLAG-UHFFFAOYSA-N -1 0 349.789 3.885 20 0 EHADRM O=C([O-])c1cccc(Cc2cnc(NC(=O)CCC3CC3)s2)c1 ZINC000739236324 600571700 /nfs/dbraw/zinc/57/17/00/600571700.db2.gz RFMLCKRQFLUIHZ-UHFFFAOYSA-N -1 0 330.409 3.561 20 0 EHADRM CC(C)COc1cccc(CNC(=O)c2ccccc2NC(=O)[O-])c1 ZINC000736448219 600574016 /nfs/dbraw/zinc/57/40/16/600574016.db2.gz JQHKRZYHZVVLLN-UHFFFAOYSA-N -1 0 342.395 3.741 20 0 EHADRM CCc1[nH]c(C(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)c(C)c1C(=O)[O-] ZINC000737240774 600580271 /nfs/dbraw/zinc/58/02/71/600580271.db2.gz IJRNGNRGZJDXQD-SWLSCSKDSA-N -1 0 340.423 3.602 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000322368695 600582460 /nfs/dbraw/zinc/58/24/60/600582460.db2.gz JZOLGFXWYLWJET-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)S[C@H](C)CC(=O)[O-] ZINC000736196902 600583525 /nfs/dbraw/zinc/58/35/25/600583525.db2.gz RCNPYVDPWXYMKZ-MWLCHTKSSA-N -1 0 349.408 3.559 20 0 EHADRM CN(C(=O)/C=C\c1ccc(Cl)cc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737314274 600592521 /nfs/dbraw/zinc/59/25/21/600592521.db2.gz QDDSSILBGANSPR-GKUQOKNUSA-N -1 0 329.783 3.638 20 0 EHADRM CC(C)[C@H](SC[C@@H](C)C(=O)[O-])C(=O)Nc1ccccc1Cl ZINC000736606347 600598268 /nfs/dbraw/zinc/59/82/68/600598268.db2.gz AESRESYRBOUXRT-MFKMUULPSA-N -1 0 329.849 3.757 20 0 EHADRM CN(C(=O)Cc1cccc2ccccc21)[C@H](C(=O)[O-])c1ccccc1 ZINC000737326173 600599445 /nfs/dbraw/zinc/59/94/45/600599445.db2.gz UMGGBJSOIIUPNW-FQEVSTJZSA-N -1 0 333.387 3.667 20 0 EHADRM C[C@H](CSCC(=O)N(C1CCCCC1)C1CCCCC1)C(=O)[O-] ZINC000736616813 600599454 /nfs/dbraw/zinc/59/94/54/600599454.db2.gz MEXSTPVZAKROHM-CQSZACIVSA-N -1 0 341.517 3.934 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1ccccc1)Cc1cccc2ccccc21 ZINC000486386802 600600191 /nfs/dbraw/zinc/60/01/91/600600191.db2.gz GMQVDEHLJUHPSJ-GOSISDBHSA-N -1 0 333.387 3.513 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)N(C)[C@H](C(=O)[O-])c3ccccc3)cc2C1 ZINC000736807305 600602504 /nfs/dbraw/zinc/60/25/04/600602504.db2.gz VKDFPEMYNLRWDN-PXAZEXFGSA-N -1 0 343.448 3.771 20 0 EHADRM O=C([O-])CN(C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)c1ccccc1 ZINC000156264799 600604051 /nfs/dbraw/zinc/60/40/51/600604051.db2.gz IHBZXVRGDNTHPY-JKSUJKDBSA-N -1 0 329.783 3.561 20 0 EHADRM CCc1sc(=O)n(Cc2cc(C(=O)[O-])oc2C)c1-c1ccccc1 ZINC000737291889 600612264 /nfs/dbraw/zinc/61/22/64/600612264.db2.gz JJCNDUQLVVPQRM-UHFFFAOYSA-N -1 0 343.404 3.787 20 0 EHADRM Cc1ccc2c(Cl)c(C(=O)N[C@@](C)(C(=O)[O-])C3CC3)sc2c1 ZINC000738664545 600616922 /nfs/dbraw/zinc/61/69/22/600616922.db2.gz GBBYBLKXRNTKBK-MRXNPFEDSA-N -1 0 337.828 3.846 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)CCNC(=O)[O-])[C@H]1CCC[C@@H](C)C1 ZINC000738759387 600623873 /nfs/dbraw/zinc/62/38/73/600623873.db2.gz WXGRLWHDHYAGFF-QIIPPGSGSA-N -1 0 332.444 3.636 20 0 EHADRM CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000736928920 600624043 /nfs/dbraw/zinc/62/40/43/600624043.db2.gz HLRJGSUAOQPSDW-INIZCTEOSA-N -1 0 327.384 3.785 20 0 EHADRM CCc1ccc(OCC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000322577212 600624190 /nfs/dbraw/zinc/62/41/90/600624190.db2.gz HABLKRIATCERGE-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)[C@@H]2CSc3ccccc32)c1 ZINC000178799308 600624392 /nfs/dbraw/zinc/62/43/92/600624392.db2.gz WLAYMVLMTWMPHB-CYBMUJFWSA-N -1 0 333.796 3.866 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCC2(c3cccc(F)c3)CC2)c(F)c1 ZINC000739407735 600626807 /nfs/dbraw/zinc/62/68/07/600626807.db2.gz UBWPFZXIWXCYMC-UHFFFAOYSA-N -1 0 346.333 3.516 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)CCCSc1ccc(Cl)cc1)C(=O)[O-] ZINC000314355839 600645627 /nfs/dbraw/zinc/64/56/27/600645627.db2.gz VSWNLQDLOCBNMA-AWEZNQCLSA-N -1 0 343.876 3.828 20 0 EHADRM CCN(C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)c1ccccc1C(=O)[O-] ZINC000737053732 600647679 /nfs/dbraw/zinc/64/76/79/600647679.db2.gz WQZZXCFPCMNJEX-QWHCGFSZSA-N -1 0 345.345 3.820 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000245715332 600657545 /nfs/dbraw/zinc/65/75/45/600657545.db2.gz NYXJNGFCSRYOGT-GUTXKFCHSA-N -1 0 333.428 3.609 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000832589189 600658913 /nfs/dbraw/zinc/65/89/13/600658913.db2.gz LZRZILAYHAOJNV-YUIUBULTSA-N -1 0 344.338 3.607 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H](c3ccccc3)CC2)C1 ZINC000245668118 600665811 /nfs/dbraw/zinc/66/58/11/600665811.db2.gz GXYWTNVGYUBCHP-RCCFBDPRSA-N -1 0 329.440 3.674 20 0 EHADRM C/C(=C\C(=O)O[C@H](C(=O)[O-])c1ccccc1F)c1cccc(F)c1 ZINC000825723814 600666599 /nfs/dbraw/zinc/66/65/99/600666599.db2.gz BCNWAEZXABAJJM-KAMXEHQASA-N -1 0 332.302 3.737 20 0 EHADRM Cc1sc2ncnc(NC[C@@H](C(=O)[O-])c3ccccc3)c2c1C ZINC000321202793 600670229 /nfs/dbraw/zinc/67/02/29/600670229.db2.gz HHELNMJSERJGDE-CYBMUJFWSA-N -1 0 327.409 3.588 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)c1 ZINC000739480364 600675159 /nfs/dbraw/zinc/67/51/59/600675159.db2.gz OTOSVSYRZAKMNE-SMDDNHRTSA-N -1 0 348.761 3.855 20 0 EHADRM Cc1oc(-c2cccs2)nc1C(=O)Oc1ccccc1CC(=O)[O-] ZINC000738956913 600677245 /nfs/dbraw/zinc/67/72/45/600677245.db2.gz UXRKGWFDDFEVPH-UHFFFAOYSA-N -1 0 343.360 3.558 20 0 EHADRM COc1ccc(C(=O)[O-])c(NCc2cc(-c3ccc(C)cc3)no2)c1 ZINC000737942286 600677670 /nfs/dbraw/zinc/67/76/70/600677670.db2.gz FVOMHJHNOLUJSF-UHFFFAOYSA-N -1 0 338.363 3.969 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000827593009 600679569 /nfs/dbraw/zinc/67/95/69/600679569.db2.gz YLFRTZUXEWUAGR-BDJLRTHQSA-N -1 0 334.318 3.513 20 0 EHADRM CCc1ccc(CCNc2cc(C(=O)[O-])cc(OC)c2OC)cc1 ZINC000737264085 600679869 /nfs/dbraw/zinc/67/98/69/600679869.db2.gz GEWMPRPYLHKLEW-UHFFFAOYSA-N -1 0 329.396 3.619 20 0 EHADRM CCCN(C(=O)c1ccc(NC(=O)[O-])cc1)[C@H]1C[C@H](OCC)C1(C)C ZINC000737008160 600692711 /nfs/dbraw/zinc/69/27/11/600692711.db2.gz DOCPBWNEBFZJRQ-HOTGVXAUSA-N -1 0 348.443 3.832 20 0 EHADRM CC(C)[C@H](OC(=O)C[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000827392153 600693460 /nfs/dbraw/zinc/69/34/60/600693460.db2.gz UBLWGJOZCCBXHX-YGRLFVJLSA-N -1 0 332.318 3.851 20 0 EHADRM Cc1cccc2c(Cc3nc(-c4cccc(C(=O)[O-])c4)no3)c[nH]c21 ZINC000832975430 600694313 /nfs/dbraw/zinc/69/43/13/600694313.db2.gz VMJNILSLURVKPX-UHFFFAOYSA-N -1 0 333.347 3.815 20 0 EHADRM O=C([O-])c1cccc(-c2noc(COc3cccc(Cl)c3)n2)c1 ZINC000113024330 600697664 /nfs/dbraw/zinc/69/76/64/600697664.db2.gz PZPDGQNNTYNUNL-UHFFFAOYSA-N -1 0 330.727 3.667 20 0 EHADRM O=C([O-])c1cccc(-c2noc(COc3ccc4c(c3)CCC4)n2)c1 ZINC000833328106 600699852 /nfs/dbraw/zinc/69/98/52/600699852.db2.gz VSJOVDMWYSBYIX-UHFFFAOYSA-N -1 0 336.347 3.503 20 0 EHADRM C[C@H](C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000826061131 600701137 /nfs/dbraw/zinc/70/11/37/600701137.db2.gz AGKHDBVIXYLBOL-BONVTDFDSA-N -1 0 336.746 3.952 20 0 EHADRM C[C@H](C(=O)OCc1ccoc1C(=O)[O-])c1ccccc1C(F)(F)F ZINC000826071345 600701482 /nfs/dbraw/zinc/70/14/82/600701482.db2.gz KTMKVALZTBKKHM-VIFPVBQESA-N -1 0 342.269 3.844 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000736417933 600702017 /nfs/dbraw/zinc/70/20/17/600702017.db2.gz YBAJRCQCDXYZGO-QGZVFWFLSA-N -1 0 347.459 3.688 20 0 EHADRM O=C([O-])c1ccc(-c2nc(COC(=O)CC3CCC3)cs2)cc1 ZINC000833094182 600721179 /nfs/dbraw/zinc/72/11/79/600721179.db2.gz RUZSGBFVDXEXPI-UHFFFAOYSA-N -1 0 331.393 3.742 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC000827427519 600721675 /nfs/dbraw/zinc/72/16/75/600721675.db2.gz IBYXSVGEWVOKLZ-SUMWQHHRSA-N -1 0 330.355 3.764 20 0 EHADRM C/C(=C/C(=O)O[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C)C(C)(C)C ZINC000825723966 600723232 /nfs/dbraw/zinc/72/32/32/600723232.db2.gz FVRIKGAFINFRQZ-KIWPFMIBSA-N -1 0 347.411 3.556 20 0 EHADRM CCN(CC)c1ccc(-c2nnc(SC/C=C(\C)C(=O)[O-])o2)cc1 ZINC000829683789 600726973 /nfs/dbraw/zinc/72/69/73/600726973.db2.gz DSRMNDXJNTZNPR-ZRDIBKRKSA-N -1 0 347.440 3.706 20 0 EHADRM O=C([O-])c1ccc(OCc2cccc(Cl)n2)c(Br)c1 ZINC000833321976 600728036 /nfs/dbraw/zinc/72/80/36/600728036.db2.gz BRBJIXMIUYFVPI-UHFFFAOYSA-N -1 0 342.576 3.775 20 0 EHADRM CC[C@H]1CCC[C@@H](NC(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000736938946 600730125 /nfs/dbraw/zinc/73/01/25/600730125.db2.gz AXXKBPURZRKYJH-XJKSGUPXSA-N -1 0 333.432 3.587 20 0 EHADRM C[C@@H](Nc1nc(Cl)c(C(=O)[O-])s1)c1ccc(-n2cccn2)cc1 ZINC000827773658 600730187 /nfs/dbraw/zinc/73/01/87/600730187.db2.gz UINVANHYRKAOAE-SECBINFHSA-N -1 0 348.815 3.854 20 0 EHADRM Cc1ccc(NC(=O)C(C)C)cc1N[C@H](C(=O)[O-])c1ccccc1F ZINC000832943092 600738432 /nfs/dbraw/zinc/73/84/32/600738432.db2.gz PDMOKBUOPQAVNE-KRWDZBQOSA-N -1 0 344.386 3.966 20 0 EHADRM O=C([O-])c1coc(COC(=O)c2cc(Oc3ccccc3)ccn2)c1 ZINC000833340184 600741341 /nfs/dbraw/zinc/74/13/41/600741341.db2.gz BEVAATPMCFOXLH-UHFFFAOYSA-N -1 0 339.303 3.522 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)cc1 ZINC000739467389 600742211 /nfs/dbraw/zinc/74/22/11/600742211.db2.gz RUTCOMUPMBYVJK-BXUZGUMPSA-N -1 0 348.761 3.855 20 0 EHADRM CCO[C@@H]1C[C@H](OC(=O)c2ccc(NC(=O)[O-])cc2)C12CCCC2 ZINC000737164232 600757027 /nfs/dbraw/zinc/75/70/27/600757027.db2.gz BSCCJDANQPECGC-CABCVRRESA-N -1 0 333.384 3.671 20 0 EHADRM Cc1ccc2c(Cl)c(C(=O)NC(C)(C)CC(=O)[O-])sc2c1 ZINC000738666648 600781342 /nfs/dbraw/zinc/78/13/42/600781342.db2.gz TZMIZLMTXFGZJY-UHFFFAOYSA-N -1 0 325.817 3.846 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NC(C)(C)CC(=O)[O-] ZINC000736622603 600781800 /nfs/dbraw/zinc/78/18/00/600781800.db2.gz REJINNQLWIHTHO-VIFPVBQESA-N -1 0 332.227 3.542 20 0 EHADRM CCN(C(=O)c1cccc2ccc(C)nc21)c1ccccc1C(=O)[O-] ZINC000737059100 600787872 /nfs/dbraw/zinc/78/78/72/600787872.db2.gz HVMXYPQVWWOKNE-UHFFFAOYSA-N -1 0 334.375 3.908 20 0 EHADRM CCCCS[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000776673118 600799159 /nfs/dbraw/zinc/79/91/59/600799159.db2.gz MJDMMOVXONVJEP-FZMZJTMJSA-N -1 0 343.876 3.894 20 0 EHADRM Cc1cc(OCc2nnc(-c3cccc(F)c3)o2)c(C(=O)[O-])s1 ZINC000832901203 600804221 /nfs/dbraw/zinc/80/42/21/600804221.db2.gz ZASKLIKSNSMUGW-UHFFFAOYSA-N -1 0 334.328 3.523 20 0 EHADRM Cc1ccc(CC(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000776672114 600805262 /nfs/dbraw/zinc/80/52/62/600805262.db2.gz AAIYHZDXZNJAFA-MRXNPFEDSA-N -1 0 331.799 3.523 20 0 EHADRM C[C@@H]1CCN(C(=O)CCc2ccc(C(=O)[O-])cc2)[C@@H](c2ccco2)C1 ZINC000237528914 600808973 /nfs/dbraw/zinc/80/89/73/600808973.db2.gz OUDIXIXUZMNGSX-RHSMWYFYSA-N -1 0 341.407 3.910 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(F)c(F)c1)c1cccc(Cl)c1 ZINC000833200826 600808989 /nfs/dbraw/zinc/80/89/89/600808989.db2.gz XMRQQFGYKJCTSI-AWEZNQCLSA-N -1 0 339.725 3.564 20 0 EHADRM C[C@@H](CC(=O)[O-])Sc1cc(C(F)(F)F)nc(-c2ccncc2)n1 ZINC000827385078 600814899 /nfs/dbraw/zinc/81/48/99/600814899.db2.gz FQZXZJZWTARIFI-QMMMGPOBSA-N -1 0 343.330 3.513 20 0 EHADRM O=C([O-])Nc1ccc(CCNc2nc(-c3ccccc3)ns2)cc1 ZINC000833286571 600815913 /nfs/dbraw/zinc/81/59/13/600815913.db2.gz SSAVRMMMZCYGBU-UHFFFAOYSA-N -1 0 340.408 3.950 20 0 EHADRM Cc1sc2nc(C)nc(NC[C@@H](C(=O)[O-])c3ccccc3)c2c1C ZINC000392295771 600820108 /nfs/dbraw/zinc/82/01/08/600820108.db2.gz ROZLRDDANIBFFF-CQSZACIVSA-N -1 0 341.436 3.897 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000120245362 600823363 /nfs/dbraw/zinc/82/33/63/600823363.db2.gz LGENKTCVPDUUAQ-GXTWGEPZSA-N -1 0 331.318 3.714 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)ccc1F ZINC000740080124 600829958 /nfs/dbraw/zinc/82/99/58/600829958.db2.gz CJKZLYVUITVNCT-ZYHUDNBSSA-N -1 0 335.281 3.544 20 0 EHADRM Cc1ccccc1[C@H]1CN(Cc2ccc(F)cc2C(=O)[O-])[C@H](C)CO1 ZINC000570100858 600832962 /nfs/dbraw/zinc/83/29/62/600832962.db2.gz YKATVRNFUFXWNA-AUUYWEPGSA-N -1 0 343.398 3.794 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1C[C@H]1C1CCCCC1)c1ccc(F)cc1 ZINC000262664922 600835426 /nfs/dbraw/zinc/83/54/26/600835426.db2.gz VLPZUWXNSVCRQH-ULQDDVLXSA-N -1 0 333.403 3.674 20 0 EHADRM C[C@H](CC(=O)N(C)C(C)(C)C(=O)[O-])c1ccccc1C(F)(F)F ZINC000262501853 600838865 /nfs/dbraw/zinc/83/88/65/600838865.db2.gz YPCLRZIFUSARED-SNVBAGLBSA-N -1 0 331.334 3.521 20 0 EHADRM Cc1cc(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)ccc1C(=O)[O-] ZINC000237821494 600838993 /nfs/dbraw/zinc/83/89/93/600838993.db2.gz MVZOYJMQLBNBMW-HIFRSBDPSA-N -1 0 331.318 3.714 20 0 EHADRM O=C([O-])CCc1nc(CSc2ccc(Cl)c(Cl)c2)no1 ZINC000833241260 600842617 /nfs/dbraw/zinc/84/26/17/600842617.db2.gz CZURJIINCJNRRX-UHFFFAOYSA-N -1 0 333.196 3.686 20 0 EHADRM Cc1ccc([C@H]2OCCC[C@H]2C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000262166873 600846504 /nfs/dbraw/zinc/84/65/04/600846504.db2.gz UJAQGIFOGMBFNN-QZTJIDSGSA-N -1 0 339.391 3.800 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)CCc2cccc(Cl)c2)c2ccccc21 ZINC000739640631 600848316 /nfs/dbraw/zinc/84/83/16/600848316.db2.gz FHQWJIWVCGFWQE-AWEZNQCLSA-N -1 0 343.810 3.878 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000681678490 600849161 /nfs/dbraw/zinc/84/91/61/600849161.db2.gz AJDGTVOBBZQHAA-UHFFFAOYSA-N -1 0 349.346 3.565 20 0 EHADRM Cc1cccc2cc(C(=O)N3C[C@@H](CC(=O)[O-])c4ccccc43)oc21 ZINC000738750060 600849361 /nfs/dbraw/zinc/84/93/61/600849361.db2.gz OHRLQTIQBOXCQH-CQSZACIVSA-N -1 0 335.359 3.960 20 0 EHADRM C[C@@H](C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21)c1ccccc1F ZINC000736200430 600850391 /nfs/dbraw/zinc/85/03/91/600850391.db2.gz QTVYVRFKLMHXBM-OLZOCXBDSA-N -1 0 327.355 3.534 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000237328781 600851201 /nfs/dbraw/zinc/85/12/01/600851201.db2.gz UBTJLHQAGHGZDG-KBXCAEBGSA-N -1 0 343.398 3.727 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)CCc2ccc(Cl)cc2)c2ccccc21 ZINC000739640930 600854447 /nfs/dbraw/zinc/85/44/47/600854447.db2.gz HFVJMTWDLQEMMC-CQSZACIVSA-N -1 0 343.810 3.878 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)C1(C)C ZINC000736344026 600855074 /nfs/dbraw/zinc/85/50/74/600855074.db2.gz QUWWZEWJMGWXIF-DDUZABMNSA-N -1 0 327.424 3.830 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)c2ccc(-c3ccccc3)[nH]2)c2ccccc21 ZINC000739645272 600855860 /nfs/dbraw/zinc/85/58/60/600855860.db2.gz AZVVHDQMJKFYMB-OAHLLOKOSA-N -1 0 346.386 3.900 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)c2ccc(-c3ccccc3)[nH]2)c2ccccc21 ZINC000739645271 600855951 /nfs/dbraw/zinc/85/59/51/600855951.db2.gz AZVVHDQMJKFYMB-HNNXBMFYSA-N -1 0 346.386 3.900 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)c2ccc(-n3cccc3)cc2)c2ccccc21 ZINC000739645256 600858355 /nfs/dbraw/zinc/85/83/55/600858355.db2.gz AECRTWCUQMTUBM-MRXNPFEDSA-N -1 0 346.386 3.696 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)c1cccc(F)c1Cl ZINC000322607145 600861832 /nfs/dbraw/zinc/86/18/32/600861832.db2.gz NOQXNJAHPXXIEL-UHFFFAOYSA-N -1 0 333.746 3.770 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)[C@@H]2SCCc3ccccc32)cc1 ZINC000833285205 600862259 /nfs/dbraw/zinc/86/22/59/600862259.db2.gz BQLXEYYUUSPDPK-OAHLLOKOSA-N -1 0 328.393 3.746 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)C(C)(C)c1ccccc1 ZINC000736916480 600864270 /nfs/dbraw/zinc/86/42/70/600864270.db2.gz HQFZWUXPFGMVHY-QGZVFWFLSA-N -1 0 325.408 3.871 20 0 EHADRM O=C([O-])C1(NC(=O)C2CCC(c3ccccc3)CC2)CCCCC1 ZINC000237920522 600864515 /nfs/dbraw/zinc/86/45/15/600864515.db2.gz AFARLSALBMEGRC-UHFFFAOYSA-N -1 0 329.440 3.864 20 0 EHADRM COc1ccc([C@@H](C)Nc2ccc(CN(C)C(=O)[O-])cc2)cc1OC ZINC000832227045 600864725 /nfs/dbraw/zinc/86/47/25/600864725.db2.gz VZAQMNXOLLNVGA-CYBMUJFWSA-N -1 0 344.411 3.987 20 0 EHADRM C/C(=C/C(=O)NC1(C(=O)[O-])CCCC1)c1cccc(C(F)(F)F)c1 ZINC000236637304 600865849 /nfs/dbraw/zinc/86/58/49/600865849.db2.gz KTZPMRQHTOFNCQ-LUAWRHEFSA-N -1 0 341.329 3.622 20 0 EHADRM CCOc1ccccc1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000261657824 600878705 /nfs/dbraw/zinc/87/87/05/600878705.db2.gz KHAHTDUGYLOKTB-UHFFFAOYSA-N -1 0 327.380 3.700 20 0 EHADRM COc1cc(CC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)ccc1C ZINC000261800983 600878927 /nfs/dbraw/zinc/87/89/27/600878927.db2.gz ABQODGUTHXRAHK-UHFFFAOYSA-N -1 0 341.407 3.547 20 0 EHADRM Cc1noc(C(C)C)c1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000261611962 600879938 /nfs/dbraw/zinc/87/99/38/600879938.db2.gz DUGHHXXKFQCXSM-UHFFFAOYSA-N -1 0 330.384 3.721 20 0 EHADRM Cc1cc(NC(=O)c2sc(C3CCCC3)nc2C)c(C(=O)[O-])[nH]1 ZINC000832897751 600880065 /nfs/dbraw/zinc/88/00/65/600880065.db2.gz WBNURMMGYYAASN-UHFFFAOYSA-N -1 0 333.413 3.696 20 0 EHADRM CC(C)[C@H](C)[S@@](=O)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000826682349 600881788 /nfs/dbraw/zinc/88/17/88/600881788.db2.gz YMWQWJKXKSRLOI-SAHAZLINSA-N -1 0 337.466 3.802 20 0 EHADRM CCc1ccc(CN(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)C2CC2)cc1 ZINC000179959078 600885291 /nfs/dbraw/zinc/88/52/91/600885291.db2.gz HGZFTJVGSKRUHD-IRXDYDNUSA-N -1 0 329.440 3.631 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)NC2CCC(c3ccccc3)CC2)C1 ZINC000180111942 600886123 /nfs/dbraw/zinc/88/61/23/600886123.db2.gz AKDLKAYWYCNDIP-SAGYGOJTSA-N -1 0 329.440 3.720 20 0 EHADRM CCN(C(=O)[C@H]1SCCc2sccc21)c1ccccc1C(=O)[O-] ZINC000829590823 600887975 /nfs/dbraw/zinc/88/79/75/600887975.db2.gz GGBVUCMSGNATQX-HNNXBMFYSA-N -1 0 347.461 3.830 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)N(CC(=O)[O-])c1ccccc1 ZINC000337745135 600888592 /nfs/dbraw/zinc/88/85/92/600888592.db2.gz NKNMOESJQBDBAC-AWEZNQCLSA-N -1 0 329.371 3.512 20 0 EHADRM Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)C2 ZINC000767180396 600890210 /nfs/dbraw/zinc/89/02/10/600890210.db2.gz QYQUVXIWZLNFNL-MRXNPFEDSA-N -1 0 345.782 3.597 20 0 EHADRM C[C@H](CC(=O)Nc1cccc(NC(=O)[O-])c1)C(=O)c1cccc(F)c1 ZINC000827239859 600896961 /nfs/dbraw/zinc/89/69/61/600896961.db2.gz FAAPQUBZCPQETE-LLVKDONJSA-N -1 0 344.342 3.763 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CSCc2ccc(Cl)cc2)s1 ZINC000035424966 600900282 /nfs/dbraw/zinc/90/02/82/600900282.db2.gz NKBINMGKPHCTGS-UHFFFAOYSA-N -1 0 341.841 3.972 20 0 EHADRM Cc1ccc(C)c(SCc2cccc(C(=O)N(C)CC(=O)[O-])c2)c1 ZINC000237172983 600901507 /nfs/dbraw/zinc/90/15/07/600901507.db2.gz YUNMDUKZHKEGBX-UHFFFAOYSA-N -1 0 343.448 3.752 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccc(Oc3ccccc3)nc2)C1 ZINC000833185221 600907706 /nfs/dbraw/zinc/90/77/06/600907706.db2.gz GCTRFVLTQQKWRA-ZIAGYGMSSA-N -1 0 340.379 3.703 20 0 EHADRM CCc1ccc([C@H]2CCCCN2C(=O)c2ccc(C(=O)[O-])s2)o1 ZINC000263543493 600914382 /nfs/dbraw/zinc/91/43/82/600914382.db2.gz SAKUFFSYNGNLSX-GFCCVEGCSA-N -1 0 333.409 3.969 20 0 EHADRM Cc1[nH]c(C(=O)Nc2ccc(CC(F)(F)F)cc2)c(C)c1C(=O)[O-] ZINC000738155930 600914724 /nfs/dbraw/zinc/91/47/24/600914724.db2.gz FYKQVUPJVMJHJC-UHFFFAOYSA-N -1 0 340.301 3.687 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2cnccc2Oc2ccccc2)C1 ZINC000833187486 600918491 /nfs/dbraw/zinc/91/84/91/600918491.db2.gz RPFSJCPCMAULNL-KGLIPLIRSA-N -1 0 340.379 3.703 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1cc2ccc(C(C)C)cc2[nH]1)C(=O)[O-] ZINC000736404408 600920115 /nfs/dbraw/zinc/92/01/15/600920115.db2.gz PDLSTDDHXHIRML-OAHLLOKOSA-N -1 0 330.428 3.768 20 0 EHADRM Cc1c(Br)cccc1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000180111094 600923890 /nfs/dbraw/zinc/92/38/90/600923890.db2.gz ZHVCVNCYIYLKPF-QWRGUYRKSA-N -1 0 340.217 3.587 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@@H](OC1CCCC1)c1ccccc1)C(=O)[O-] ZINC000486287331 600925627 /nfs/dbraw/zinc/92/56/27/600925627.db2.gz WYXIQLZXZAUIHD-AEFFLSMTSA-N -1 0 347.455 3.550 20 0 EHADRM CC(C)C[C@H](CNC(=O)C1(c2cccc(F)c2)CCCC1)C(=O)[O-] ZINC000486285293 600926191 /nfs/dbraw/zinc/92/61/91/600926191.db2.gz QSBVDDFEOVJCNA-CQSZACIVSA-N -1 0 335.419 3.501 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@H](C)Sc1ccccc1Cl)C(=O)[O-] ZINC000486286728 600927774 /nfs/dbraw/zinc/92/77/74/600927774.db2.gz VXORGRYUFKDNOK-NWDGAFQWSA-N -1 0 343.876 3.684 20 0 EHADRM CCC(CC)(NC(=O)CC(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000342573605 600928076 /nfs/dbraw/zinc/92/80/76/600928076.db2.gz RXLXFOLJHQADIM-UHFFFAOYSA-N -1 0 339.435 3.968 20 0 EHADRM Cc1[nH]c(C(=O)Nc2ccc(OC(C)C)c(C)c2)c(C)c1C(=O)[O-] ZINC000738241564 600928860 /nfs/dbraw/zinc/92/88/60/600928860.db2.gz MPRNUYUIRVSDTE-UHFFFAOYSA-N -1 0 330.384 3.678 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccc(Cl)cc2-n2cccc2)C1 ZINC000833186313 600932607 /nfs/dbraw/zinc/93/26/07/600932607.db2.gz LMSAQLUFEWGWMA-STQMWFEESA-N -1 0 346.814 3.960 20 0 EHADRM Cc1cccc([C@H]2CCCCN2C(=O)CCCN(C)C(=O)[O-])c1C ZINC000832966223 600933234 /nfs/dbraw/zinc/93/32/34/600933234.db2.gz UCKIFGZBTNWABU-QGZVFWFLSA-N -1 0 332.444 3.747 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)c2ccc(OC3CCC3)cc2)c1 ZINC000832182229 600939019 /nfs/dbraw/zinc/93/90/19/600939019.db2.gz GCIOUQQLLHFMHS-UHFFFAOYSA-N -1 0 342.347 3.544 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NCC2CCC(c3ccccc3)CC2)C1 ZINC000498655458 600941409 /nfs/dbraw/zinc/94/14/09/600941409.db2.gz ICQIAWBRILINLR-JDGDGYACSA-N -1 0 343.467 3.968 20 0 EHADRM Cc1oc(COC(=O)[C@@H](C)CCc2cccc(F)c2)cc1C(=O)[O-] ZINC000833026308 600941945 /nfs/dbraw/zinc/94/19/45/600941945.db2.gz GCOVQDFBKRIKHO-NSHDSACASA-N -1 0 334.343 3.737 20 0 EHADRM Cc1oc(COC(=O)[C@H](C)CCc2cccc(F)c2)cc1C(=O)[O-] ZINC000833026306 600942012 /nfs/dbraw/zinc/94/20/12/600942012.db2.gz GCOVQDFBKRIKHO-LLVKDONJSA-N -1 0 334.343 3.737 20 0 EHADRM Cc1ccc(OC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)c(C(=O)[O-])c1 ZINC000832953512 600946318 /nfs/dbraw/zinc/94/63/18/600946318.db2.gz VDAFOFBESGBQSS-WCQYABFASA-N -1 0 332.302 3.681 20 0 EHADRM CC(C)C[C@@H](OC(=O)c1cc(-c2ccccc2Cl)on1)C(=O)[O-] ZINC000826821129 600952597 /nfs/dbraw/zinc/95/25/97/600952597.db2.gz XUVLTISAWLDBLT-CQSZACIVSA-N -1 0 337.759 3.651 20 0 EHADRM Cc1ccc(-c2cnc(CCC(=O)O[C@H](CC(C)C)C(=O)[O-])o2)cc1 ZINC000832906952 600956285 /nfs/dbraw/zinc/95/62/85/600956285.db2.gz GICWJMFZWDIGLX-OAHLLOKOSA-N -1 0 345.395 3.625 20 0 EHADRM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000647160648 600956859 /nfs/dbraw/zinc/95/68/59/600956859.db2.gz VZGWJESKOBCPJE-OFQRWUPVSA-N -1 0 337.847 3.668 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000833268646 600959387 /nfs/dbraw/zinc/95/93/87/600959387.db2.gz DEFXIOPWBBDUOW-DYESRHJHSA-N -1 0 336.387 3.513 20 0 EHADRM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ccc(C(=O)[O-])cc2)o1 ZINC000237704119 600962256 /nfs/dbraw/zinc/96/22/56/600962256.db2.gz HKBKJVIYBAZSIW-BLLLJJGKSA-N -1 0 327.380 3.900 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Oc2ccc(OC(F)(F)F)cc2)cc1 ZINC000833284630 600963889 /nfs/dbraw/zinc/96/38/89/600963889.db2.gz YWQNLDAHXKWXFV-UHFFFAOYSA-N -1 0 341.241 3.894 20 0 EHADRM O=C([O-])c1ccc(OC(=O)c2cc(OCc3ccccc3)ccn2)cc1 ZINC000833321795 600964661 /nfs/dbraw/zinc/96/46/61/600964661.db2.gz NLMVQNJSKJCIPE-UHFFFAOYSA-N -1 0 349.342 3.578 20 0 EHADRM O=C([O-])c1ccc(NC(=O)COc2cc(Cl)cc(Cl)c2)s1 ZINC000833114688 600967712 /nfs/dbraw/zinc/96/77/12/600967712.db2.gz SMXPZQCMTYZISL-UHFFFAOYSA-N -1 0 346.191 3.771 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccc(CC(F)(F)F)cc2)C1 ZINC000180010582 600968689 /nfs/dbraw/zinc/96/86/89/600968689.db2.gz ZGOMIMQQLZOADJ-RYUDHWBXSA-N -1 0 329.318 3.621 20 0 EHADRM CCC(CC)(CNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000498654309 600975512 /nfs/dbraw/zinc/97/55/12/600975512.db2.gz UVFBAXAYMNEEOM-HZPDHXFCSA-N -1 0 331.456 3.752 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cc2ccccn2c1)c1cccc(Cl)c1 ZINC000833198862 600980648 /nfs/dbraw/zinc/98/06/48/600980648.db2.gz JRCCEXFUNONZIU-MRXNPFEDSA-N -1 0 342.782 3.539 20 0 EHADRM CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)CC[C@H]1c1ccccc1 ZINC000245755907 600980955 /nfs/dbraw/zinc/98/09/55/600980955.db2.gz UVHKNRIJFVVVKT-NXWXRZEISA-N -1 0 343.467 3.920 20 0 EHADRM Cc1cc(C(=O)[C@@H](C)S[C@H](C)CC(=O)[O-])c(C)n1Cc1ccco1 ZINC000738203553 600985702 /nfs/dbraw/zinc/98/57/02/600985702.db2.gz UDISTZKESZLIPD-TZMCWYRMSA-N -1 0 349.452 3.914 20 0 EHADRM Cc1ccc(NC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)c(Cl)c1 ZINC000320198245 600994087 /nfs/dbraw/zinc/99/40/87/600994087.db2.gz VUIFVYHUVMOGKB-CYBMUJFWSA-N -1 0 332.787 3.638 20 0 EHADRM Cc1noc(C(F)F)c1C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000833019225 600995773 /nfs/dbraw/zinc/99/57/73/600995773.db2.gz HIOPNIGYKUVKHK-UHFFFAOYSA-N -1 0 330.674 3.525 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc2cccc(F)c2o1)c1ccccc1 ZINC000675946857 600997318 /nfs/dbraw/zinc/99/73/18/600997318.db2.gz SURBKVLEPYMGNU-AWEZNQCLSA-N -1 0 327.311 3.518 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000262672540 601000246 /nfs/dbraw/zinc/00/02/46/601000246.db2.gz PXVDGCDDAGBXHW-IHRRRGAJSA-N -1 0 342.222 3.563 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1ccc(-c2ccccc2)n1C ZINC000237068948 601001943 /nfs/dbraw/zinc/00/19/43/601001943.db2.gz BIEMDSNLDXOZJT-UHFFFAOYSA-N -1 0 348.402 3.663 20 0 EHADRM C[C@@H](C(=O)Nc1cccc(CSCC(=O)[O-])c1)c1cccc(F)c1 ZINC000237493625 601008980 /nfs/dbraw/zinc/00/89/80/601008980.db2.gz FNABKGQNRJKKMM-GFCCVEGCSA-N -1 0 347.411 3.886 20 0 EHADRM COc1ccc2sc(C(=O)N(CCC(=O)[O-])C(C)C)c(C)c2c1 ZINC000237343660 601011214 /nfs/dbraw/zinc/01/12/14/601011214.db2.gz YGHJCAWUAPWJBB-UHFFFAOYSA-N -1 0 335.425 3.544 20 0 EHADRM CCSCC[C@@H](C)N(C)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000830164076 601011603 /nfs/dbraw/zinc/01/16/03/601011603.db2.gz PDLABKBSEARHMK-SNVBAGLBSA-N -1 0 328.409 3.519 20 0 EHADRM CC1(C)CCCN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC000390859737 601012129 /nfs/dbraw/zinc/01/21/29/601012129.db2.gz BILIYDASOFMQSP-UHFFFAOYSA-N -1 0 326.343 3.707 20 0 EHADRM Cc1cccc(F)c1CNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000832970117 601014588 /nfs/dbraw/zinc/01/45/88/601014588.db2.gz SLOSVODPAISGAM-UHFFFAOYSA-N -1 0 336.750 3.807 20 0 EHADRM O=C([O-])CCN(C(=O)C[C@H]1CCc2ccccc21)c1cccc(F)c1 ZINC000739711385 601027132 /nfs/dbraw/zinc/02/71/32/601027132.db2.gz KKFUOGGAPUODOS-OAHLLOKOSA-N -1 0 341.382 3.754 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCC(OCC3CCCCC3)CC2)c1 ZINC000584353964 601041402 /nfs/dbraw/zinc/04/14/02/601041402.db2.gz WIHAPMZOAPZMOB-UHFFFAOYSA-N -1 0 345.439 3.586 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N2CCC3(C2)CCCCC3)cc1 ZINC000326450951 601047106 /nfs/dbraw/zinc/04/71/06/601047106.db2.gz WRPOSZWGLUPNQO-UHFFFAOYSA-N -1 0 330.428 3.892 20 0 EHADRM CCN(c1ccccc1C(=O)[O-])S(=O)(=O)/C=C\c1ccc(C)cc1 ZINC000737109360 601048804 /nfs/dbraw/zinc/04/88/04/601048804.db2.gz YINVOIJCZWYCGO-SEYXRHQNSA-N -1 0 345.420 3.520 20 0 EHADRM C[C@@H](CCc1cccn1C)NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000827428113 601054190 /nfs/dbraw/zinc/05/41/90/601054190.db2.gz SBRYGOHOMRRJGF-NSHDSACASA-N -1 0 349.818 3.520 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)/C=C(/C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000736868795 601057776 /nfs/dbraw/zinc/05/77/76/601057776.db2.gz AXNSITMQWQNDCJ-YLQMECNNSA-N -1 0 343.345 3.724 20 0 EHADRM C[C@H](C(=O)N[C@H](C(=O)[O-])C(C)(C)C)c1ccc(Cl)c(Cl)c1 ZINC000675987268 601059308 /nfs/dbraw/zinc/05/93/08/601059308.db2.gz VJEIUYVSTRHCTR-QPUJVOFHSA-N -1 0 332.227 3.712 20 0 EHADRM CC1=NN(c2ccc(C(=O)Nc3ccc(C)c(C(=O)[O-])c3)cc2)CC1 ZINC000362794855 601064196 /nfs/dbraw/zinc/06/41/96/601064196.db2.gz OHRFRLJTNBBNIU-UHFFFAOYSA-N -1 0 337.379 3.532 20 0 EHADRM Cc1ccc(NC(=O)c2csc(-c3ccoc3)n2)cc1C(=O)[O-] ZINC000237727914 601066950 /nfs/dbraw/zinc/06/69/50/601066950.db2.gz LQTJLDBCDGALKC-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N[C@H]2C[C@H]2Cc2ccccc2)c1 ZINC000833152518 601069993 /nfs/dbraw/zinc/06/99/93/601069993.db2.gz DVSBKSAPKNSBII-WBMJQRKESA-N -1 0 344.798 3.791 20 0 EHADRM O=C([O-])[C@H](CNC(=O)CCCc1ccc(Cl)cc1)c1ccccc1 ZINC000262488906 601077724 /nfs/dbraw/zinc/07/77/24/601077724.db2.gz LSGPSICOBAJMBZ-QGZVFWFLSA-N -1 0 345.826 3.647 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)CCCc1ccc(Cl)cc1)c1ccccc1 ZINC000262488905 601077942 /nfs/dbraw/zinc/07/79/42/601077942.db2.gz LSGPSICOBAJMBZ-KRWDZBQOSA-N -1 0 345.826 3.647 20 0 EHADRM Cc1ccc(CC(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)s1 ZINC000832929104 601078816 /nfs/dbraw/zinc/07/88/16/601078816.db2.gz MOZWVUYCQFEUQQ-UHFFFAOYSA-N -1 0 338.454 3.690 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000486341211 601081922 /nfs/dbraw/zinc/08/19/22/601081922.db2.gz AHXNASWTBGDIDQ-SJLPKXTDSA-N -1 0 331.456 3.968 20 0 EHADRM Cc1cc(C(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c(C)s1 ZINC000832860484 601089471 /nfs/dbraw/zinc/08/94/71/601089471.db2.gz CJNYDLKCONFRJK-GOEBONIOSA-N -1 0 335.469 3.861 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000327216081 601091489 /nfs/dbraw/zinc/09/14/89/601091489.db2.gz SQVTXGWXBRTFST-SJORKVTESA-N -1 0 338.407 3.726 20 0 EHADRM CCc1ccccc1CNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000327420198 601096982 /nfs/dbraw/zinc/09/69/82/601096982.db2.gz JZLYSLKOQCEOKL-UHFFFAOYSA-N -1 0 340.423 3.933 20 0 EHADRM C/C(=C\CSc1nc2ccccc2c(=O)n1CCC(C)C)C(=O)[O-] ZINC000736120649 601097099 /nfs/dbraw/zinc/09/70/99/601097099.db2.gz CDBSMTTVRZWVLW-UKTHLTGXSA-N -1 0 346.452 3.566 20 0 EHADRM Cc1csc([C@H]2CCCN(c3nc(Cl)c(C(=O)[O-])s3)C2)n1 ZINC000738816418 601108018 /nfs/dbraw/zinc/10/80/18/601108018.db2.gz LBYKCNXHMBDQGL-QMMMGPOBSA-N -1 0 343.861 3.644 20 0 EHADRM COc1cc(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)ccc1OC(C)C ZINC000262709045 601109588 /nfs/dbraw/zinc/10/95/88/601109588.db2.gz DZQHIOLMYAKTAT-UHFFFAOYSA-N -1 0 343.379 3.741 20 0 EHADRM Cc1cnc(COC(=O)c2ccc(-c3ccc(C(=O)[O-])cc3)cc2)o1 ZINC000832987817 601115377 /nfs/dbraw/zinc/11/53/77/601115377.db2.gz COFAPBCSFLXLFC-UHFFFAOYSA-N -1 0 337.331 3.705 20 0 EHADRM CCN(C(=O)Cc1ccc(CC(C)C)cc1)c1ncc(C(=O)[O-])s1 ZINC000737060094 601125111 /nfs/dbraw/zinc/12/51/11/601125111.db2.gz MBNTUPRGPBBVIR-UHFFFAOYSA-N -1 0 346.452 3.635 20 0 EHADRM CCC(C)(C)NC(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000828611721 601134771 /nfs/dbraw/zinc/13/47/71/601134771.db2.gz BMENTQDQSUTFLT-UHFFFAOYSA-N -1 0 347.184 3.597 20 0 EHADRM CCN(C(=O)Nc1ccc(C)c(C(=O)[O-])c1)[C@H](C)c1cccnc1 ZINC000829596803 601136757 /nfs/dbraw/zinc/13/67/57/601136757.db2.gz CIMLXNAJBFGBQW-CYBMUJFWSA-N -1 0 327.384 3.703 20 0 EHADRM Cc1ccc(CN(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)C2CC2)o1 ZINC000832932284 601136935 /nfs/dbraw/zinc/13/69/35/601136935.db2.gz PIQMQTFNKNEGQR-UHFFFAOYSA-N -1 0 328.368 3.791 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2ccc(F)c(F)c2F)c1 ZINC000317328945 601137764 /nfs/dbraw/zinc/13/77/64/601137764.db2.gz WXAQHXKAVBIKIK-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c(F)cc1F ZINC000388550226 601138280 /nfs/dbraw/zinc/13/82/80/601138280.db2.gz FQRMDJAPAIGDGA-UHFFFAOYSA-N -1 0 325.698 3.877 20 0 EHADRM Cc1ccc(NC(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)cc1C(=O)[O-] ZINC000832946971 601139789 /nfs/dbraw/zinc/13/97/89/601139789.db2.gz MZNUGRWWYQJANO-CVEARBPZSA-N -1 0 328.343 3.510 20 0 EHADRM CCOCc1ccc(CNC(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000830021640 601140420 /nfs/dbraw/zinc/14/04/20/601140420.db2.gz KYHHXLWPKWJGSQ-UHFFFAOYSA-N -1 0 342.395 3.551 20 0 EHADRM Cc1ccc(NC(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)cc1C(=O)[O-] ZINC000832944661 601143333 /nfs/dbraw/zinc/14/33/33/601143333.db2.gz JBUPJZJNNYHGQV-KKNUOHPOSA-N -1 0 328.412 3.736 20 0 EHADRM CC[C@@H](C)[C@@H](C)N(C(=O)NCc1ccc(OC)c(C(=O)[O-])c1)C1CC1 ZINC000828706875 601148379 /nfs/dbraw/zinc/14/83/79/601148379.db2.gz BABAGMNRHQODOK-CHWSQXEVSA-N -1 0 348.443 3.502 20 0 EHADRM Cc1ccc(CCCC(=O)N(CCC(=O)[O-])Cc2ccccc2)s1 ZINC000678973569 601148791 /nfs/dbraw/zinc/14/87/91/601148791.db2.gz GNCTVBJQYXMXJY-UHFFFAOYSA-N -1 0 345.464 3.883 20 0 EHADRM Cc1ccc(CCCC(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])s1 ZINC000262040149 601150256 /nfs/dbraw/zinc/15/02/56/601150256.db2.gz AEYYGCBCVGAWCC-BMFZPTHFSA-N -1 0 335.469 3.624 20 0 EHADRM C[C@@H]1c2ccccc2CN1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000828526580 601150646 /nfs/dbraw/zinc/15/06/46/601150646.db2.gz ACWOWPXJGPYXDX-CYBMUJFWSA-N -1 0 339.395 3.605 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1cc(C)c(F)cc1F)c1ccccc1 ZINC000828595239 601152314 /nfs/dbraw/zinc/15/23/14/601152314.db2.gz UVMJGAWUAJZOPU-INIZCTEOSA-N -1 0 333.334 3.783 20 0 EHADRM CC(C)Oc1ccc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000675998270 601161862 /nfs/dbraw/zinc/16/18/62/601161862.db2.gz HDLKUUJQFIDRMT-KBXCAEBGSA-N -1 0 341.407 3.666 20 0 EHADRM Cc1ccc(CCCC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)s1 ZINC000237707481 601172789 /nfs/dbraw/zinc/17/27/89/601172789.db2.gz RJMIEXOEVCLIHD-UHFFFAOYSA-N -1 0 343.408 3.592 20 0 EHADRM Cc1ccc(-c2nc(COC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)cs2)o1 ZINC000832907895 601185615 /nfs/dbraw/zinc/18/56/15/601185615.db2.gz BADIFDBGVDNZGT-NWDGAFQWSA-N -1 0 349.408 3.646 20 0 EHADRM CCCCO[C@@H]1C[C@@H](NC(=O)Nc2ccc(NC(=O)[O-])cc2)C1(C)C ZINC000829413617 601191486 /nfs/dbraw/zinc/19/14/86/601191486.db2.gz WGOWOIADXIYSRF-HUUCEWRRSA-N -1 0 349.431 3.882 20 0 EHADRM CCS[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000830157694 601192635 /nfs/dbraw/zinc/19/26/35/601192635.db2.gz LUYJYLBIOMNFMQ-WCQYABFASA-N -1 0 341.408 3.711 20 0 EHADRM O=C([O-])Nc1cc(NCCCOc2ccc3c(c2)OCO3)ccc1F ZINC000833283583 601210278 /nfs/dbraw/zinc/21/02/78/601210278.db2.gz SNEWZYFSMHGKPA-UHFFFAOYSA-N -1 0 348.330 3.525 20 0 EHADRM CC[C@H](C)c1ccccc1OS(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000828770529 601214248 /nfs/dbraw/zinc/21/42/48/601214248.db2.gz QSKXVVATLVGUFU-JTQLQIEISA-N -1 0 338.381 3.567 20 0 EHADRM CCc1c(Cl)nc(-c2ccccc2)nc1N1CCC(C(=O)[O-])CC1 ZINC000737901142 601245598 /nfs/dbraw/zinc/24/55/98/601245598.db2.gz XEJGNLVVLAFQLE-UHFFFAOYSA-N -1 0 345.830 3.660 20 0 EHADRM C[C@H](c1ccc(F)cc1)N(C)C(=O)CNc1cccc(NC(=O)[O-])c1 ZINC000827934450 601247695 /nfs/dbraw/zinc/24/76/95/601247695.db2.gz GERAEUOUXZGPBL-GFCCVEGCSA-N -1 0 345.374 3.547 20 0 EHADRM Cc1ccc(-c2csc(NC(=O)c3ccnc(C(=O)[O-])c3)n2)s1 ZINC000832907651 601248069 /nfs/dbraw/zinc/24/80/69/601248069.db2.gz ZNUWKQOVKUOVAE-UHFFFAOYSA-N -1 0 345.405 3.526 20 0 EHADRM Cc1nc2[nH]ccc2c(NCc2c3ccccc3sc2C(=O)[O-])n1 ZINC000833002974 601253308 /nfs/dbraw/zinc/25/33/08/601253308.db2.gz JYRVFBUALVRKKY-UHFFFAOYSA-N -1 0 338.392 3.791 20 0 EHADRM COc1cccc(C(C)=CC(=O)Oc2ccc(NC(=O)[O-])cc2)c1 ZINC000832528969 601279314 /nfs/dbraw/zinc/27/93/14/601279314.db2.gz SVTIUSHIWBVTPI-ZRDIBKRKSA-N -1 0 327.336 3.794 20 0 EHADRM CC(C)=C(C)C(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC000826642175 601279752 /nfs/dbraw/zinc/27/97/52/601279752.db2.gz QYIALCFSUHWTQM-UHFFFAOYSA-N -1 0 330.409 3.732 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)C/C=C/c1ccc(F)cc1)c1ccccc1 ZINC000139300636 601282699 /nfs/dbraw/zinc/28/26/99/601282699.db2.gz JIKUXIIVDFENIP-WRFKIARRSA-N -1 0 341.382 3.951 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C)cc2F)cc1 ZINC000237353040 601282878 /nfs/dbraw/zinc/28/28/78/601282878.db2.gz KXTNHZZLAQITPL-MRXNPFEDSA-N -1 0 347.411 3.802 20 0 EHADRM O=C([O-])c1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)ccn1 ZINC000238178186 601284229 /nfs/dbraw/zinc/28/42/29/601284229.db2.gz KXVXDIZJNMHHFW-MRXNPFEDSA-N -1 0 344.798 3.704 20 0 EHADRM CCN(C(=O)C/C=C/c1cccc(F)c1)c1ccccc1C(=O)[O-] ZINC000829590704 601285591 /nfs/dbraw/zinc/28/55/91/601285591.db2.gz BWTFWSQXFPOWEU-SOFGYWHQSA-N -1 0 327.355 3.980 20 0 EHADRM Cc1ccc(CCC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000237607322 601294487 /nfs/dbraw/zinc/29/44/87/601294487.db2.gz PCBAFEAVKTUYCR-KXBFYZLASA-N -1 0 325.408 3.506 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Cc1cccc2ccccc21)c1ccccc1 ZINC000237663909 601295754 /nfs/dbraw/zinc/29/57/54/601295754.db2.gz CTRZZRZLPYIKJP-QVKFZJNVSA-N -1 0 347.414 3.961 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)CCSc1ccccc1)c1ccccc1 ZINC000262522591 601297809 /nfs/dbraw/zinc/29/78/09/601297809.db2.gz QZIOPWRFFJVENO-RDTXWAMCSA-N -1 0 343.448 3.747 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC000237674808 601298821 /nfs/dbraw/zinc/29/88/21/601298821.db2.gz UUHWTLFBOLAODN-MEBBXXQBSA-N -1 0 335.762 3.671 20 0 EHADRM CCc1cccc(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000830265541 601308790 /nfs/dbraw/zinc/30/87/90/601308790.db2.gz BAAYYTXFBMRTKD-INIZCTEOSA-N -1 0 330.359 3.726 20 0 EHADRM Cc1ccc(F)c(NC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000832935269 601308965 /nfs/dbraw/zinc/30/89/65/601308965.db2.gz DXLKDKOJMNMKST-CQSZACIVSA-N -1 0 334.322 3.611 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cc(Br)ccc1C ZINC000262115435 601309036 /nfs/dbraw/zinc/30/90/36/601309036.db2.gz OVHQIUKVLIYFTR-UHFFFAOYSA-N -1 0 342.233 3.521 20 0 EHADRM Cn1cc(NC(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1C(=O)[O-] ZINC000833046344 601319426 /nfs/dbraw/zinc/31/94/26/601319426.db2.gz VKQYXHQGNWCQEO-CMXJYWLISA-N -1 0 330.428 3.658 20 0 EHADRM CCn1c2ccc(F)cc2nc1/C(Cl)=C\c1ccc(C(=O)[O-])[nH]1 ZINC000830408057 601331558 /nfs/dbraw/zinc/33/15/58/601331558.db2.gz HPJDXVIQYLEZNO-DHZHZOJOSA-N -1 0 333.750 3.959 20 0 EHADRM Cc1cccc([C@@H](NC(=O)NCc2ccc(C(=O)[O-])o2)C(C)(C)C)c1 ZINC000832965517 601334702 /nfs/dbraw/zinc/33/47/02/601334702.db2.gz WECRXUXVUPMVJU-MRXNPFEDSA-N -1 0 344.411 3.873 20 0 EHADRM COCc1ccc(SCC(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000831817793 601348548 /nfs/dbraw/zinc/34/85/48/601348548.db2.gz WZJQRHMLGYZOJR-UHFFFAOYSA-N -1 0 345.420 3.570 20 0 EHADRM CO[C@@H](C)c1nc(COc2cc(Cl)ccc2C(=O)[O-])cs1 ZINC000831501884 601350573 /nfs/dbraw/zinc/35/05/73/601350573.db2.gz YMXXDQPKOYGGSI-QMMMGPOBSA-N -1 0 327.789 3.781 20 0 EHADRM COc1cccc(/C(C)=C/C(=O)O[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000832528400 601359145 /nfs/dbraw/zinc/35/91/45/601359145.db2.gz KFILWXMRDPYHTI-KSEUIEODSA-N -1 0 344.338 3.607 20 0 EHADRM COc1cccc(/C(C)=C\C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000832529055 601359430 /nfs/dbraw/zinc/35/94/30/601359430.db2.gz VGZFIOGGAYQMAG-SIKDUDHDSA-N -1 0 344.338 3.607 20 0 EHADRM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000828232636 601381205 /nfs/dbraw/zinc/38/12/05/601381205.db2.gz IGPHZELVDHNCRQ-QRJZZWFUSA-N -1 0 326.343 3.609 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2nc(-c3cccc(F)c3)cs2)C1 ZINC000833186068 601387205 /nfs/dbraw/zinc/38/72/05/601387205.db2.gz JZYCNBDTVIXIBZ-VXGBXAGGSA-N -1 0 348.399 3.779 20 0 EHADRM C[C@H](CC(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-])c1ccc(F)cc1 ZINC000262471855 601392413 /nfs/dbraw/zinc/39/24/13/601392413.db2.gz JNDCIPVILCSBMK-BIENJYKASA-N -1 0 343.398 3.898 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000263131233 601392427 /nfs/dbraw/zinc/39/24/27/601392427.db2.gz GZMLDWDRHPHGGI-JUKXBJQTSA-N -1 0 341.382 3.507 20 0 EHADRM C/C(=C/C(=O)Nc1cccc(OCC(=O)[O-])c1)c1cccc(Cl)c1 ZINC000825724166 601394771 /nfs/dbraw/zinc/39/47/71/601394771.db2.gz JOXIIKUGQAHKEO-WQLSENKSSA-N -1 0 345.782 3.845 20 0 EHADRM COc1ccc([C@@H](C)Cc2nc(-c3ccc(C(=O)[O-])cc3)no2)cc1 ZINC000832220967 601395043 /nfs/dbraw/zinc/39/50/43/601395043.db2.gz NZKSADGLASOKLF-LBPRGKRZSA-N -1 0 338.363 3.790 20 0 EHADRM C/C(=C/C(=O)N[C@@H](C(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC000236654874 601397616 /nfs/dbraw/zinc/39/76/16/601397616.db2.gz YZPPJSGJCQVXOK-XSLBHYSZSA-N -1 0 329.783 3.685 20 0 EHADRM O=C([O-])c1nn(CN2CC[C@@H]2c2ccc(Cl)cc2)c2ccccc21 ZINC000833347072 601402211 /nfs/dbraw/zinc/40/22/11/601402211.db2.gz TZMSOYKZEOFHJB-OAHLLOKOSA-N -1 0 341.798 3.792 20 0 EHADRM CC(C)(c1cccs1)c1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC000826641706 601403271 /nfs/dbraw/zinc/40/32/71/601403271.db2.gz GGUXBBCEXNHUJE-UHFFFAOYSA-N -1 0 344.392 3.734 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CSc1n[nH]c(-c2ccc(C)cc2)n1 ZINC000830398065 601405304 /nfs/dbraw/zinc/40/53/04/601405304.db2.gz FHESDXUVJBGXAM-UHFFFAOYSA-N -1 0 343.408 3.926 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)NCC1(C(=O)[O-])CCCC1 ZINC000832854382 601412766 /nfs/dbraw/zinc/41/27/66/601412766.db2.gz WVZQKSHRPIOQOM-CYBMUJFWSA-N -1 0 344.411 3.746 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000321893311 601424536 /nfs/dbraw/zinc/42/45/36/601424536.db2.gz VJCUZHLDFJERFL-LBPRGKRZSA-N -1 0 338.835 3.687 20 0 EHADRM CC(C)c1ccc(-c2nc(CN3CC[C@@](F)(C(=O)[O-])C3)cs2)cc1 ZINC000827111938 601447236 /nfs/dbraw/zinc/44/72/36/601447236.db2.gz ASMNMMYFNXMNPT-SFHVURJKSA-N -1 0 348.443 3.932 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CNc1cccc2c1CCCC2 ZINC000832916719 601450368 /nfs/dbraw/zinc/45/03/68/601450368.db2.gz MOJDRGJYSUEFJQ-UHFFFAOYSA-N -1 0 338.407 3.623 20 0 EHADRM COc1ccc(NC(=O)[C@@H](C)SCc2cccc(C(=O)[O-])c2)cc1 ZINC000832389398 601457119 /nfs/dbraw/zinc/45/71/19/601457119.db2.gz ULZDOLXNHLNUSY-GFCCVEGCSA-N -1 0 345.420 3.654 20 0 EHADRM Cc1ccc(CNC(=O)[C@H](C)SCc2cccc(C(=O)[O-])c2)cc1 ZINC000832932882 601457123 /nfs/dbraw/zinc/45/71/23/601457123.db2.gz ZITDFFBCCIRPKD-AWEZNQCLSA-N -1 0 343.448 3.631 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(COc2ccccc2)cc1 ZINC000237045571 601458492 /nfs/dbraw/zinc/45/84/92/601458492.db2.gz ZRBCPIKHJFQVKA-FQEVSTJZSA-N -1 0 341.407 3.639 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000830389713 601461331 /nfs/dbraw/zinc/46/13/31/601461331.db2.gz RZMFEWPIZGQCDU-UHFFFAOYSA-N -1 0 332.139 3.532 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)c1cnc(Cl)c(Cl)c1 ZINC000830394831 601461676 /nfs/dbraw/zinc/46/16/76/601461676.db2.gz NJWYRBXWDPGEMR-UHFFFAOYSA-N -1 0 344.150 3.599 20 0 EHADRM Cc1ccc(-c2ocnc2C(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC000832909737 601467135 /nfs/dbraw/zinc/46/71/35/601467135.db2.gz ITCUUJSUKZDTNA-LLVKDONJSA-N -1 0 341.319 3.859 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC000829014099 601471357 /nfs/dbraw/zinc/47/13/57/601471357.db2.gz BVOHIKWXSPQBAK-NVXWUHKLSA-N -1 0 328.364 3.522 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000825798556 601472627 /nfs/dbraw/zinc/47/26/27/601472627.db2.gz OGUGJKPBADNZAO-OFAQMXQXSA-N -1 0 332.302 3.737 20 0 EHADRM C[C@H](CC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-])c1ccccc1F ZINC000262562757 601475322 /nfs/dbraw/zinc/47/53/22/601475322.db2.gz ZDJDSHPQJJDCRF-YJYMSZOUSA-N -1 0 341.382 3.530 20 0 EHADRM C[C@H](C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000262157399 601475915 /nfs/dbraw/zinc/47/59/15/601475915.db2.gz NRFNCGFDQONQRI-YVEFUNNKSA-N -1 0 343.810 3.654 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)NC1(CC(=O)[O-])CCC1 ZINC000649538278 601479240 /nfs/dbraw/zinc/47/92/40/601479240.db2.gz HQVSQXLORNYTFH-UHFFFAOYSA-N -1 0 340.807 3.648 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CS[C@H]2CCc3ccc(F)cc32)cc1 ZINC000833114560 601481153 /nfs/dbraw/zinc/48/11/53/601481153.db2.gz HHYPBPJYXINWKL-INIZCTEOSA-N -1 0 345.395 3.883 20 0 EHADRM Cc1oc(CN(C)C(=O)C/C=C/c2ccc(C)cc2)cc1C(=O)[O-] ZINC000832927935 601499072 /nfs/dbraw/zinc/49/90/72/601499072.db2.gz NKVZELZJEJEUNF-SNAWJCMRSA-N -1 0 327.380 3.657 20 0 EHADRM O=C([O-])c1cc(C(=O)Nc2cccc(CCC(F)(F)F)c2)ccn1 ZINC000833157879 601507433 /nfs/dbraw/zinc/50/74/33/601507433.db2.gz CCMBWWILYJTREY-UHFFFAOYSA-N -1 0 338.285 3.527 20 0 EHADRM O=C([O-])Nc1cccc(OS(=O)(=O)c2cccc3ccccc32)c1 ZINC000833289743 601509175 /nfs/dbraw/zinc/50/91/75/601509175.db2.gz QGOAPDBQYJVHJX-UHFFFAOYSA-N -1 0 343.360 3.697 20 0 EHADRM CN(C(=O)c1ccc2ccc(Cl)cc2n1)c1ccccc1C(=O)[O-] ZINC000830533887 601530064 /nfs/dbraw/zinc/53/00/64/601530064.db2.gz ZNEPXTGDEUWVMS-UHFFFAOYSA-N -1 0 340.766 3.863 20 0 EHADRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C1CC1)c1cccc(C(F)(F)F)c1 ZINC000828587196 601532031 /nfs/dbraw/zinc/53/20/31/601532031.db2.gz OVZFLMSEXWQDOY-KGLIPLIRSA-N -1 0 343.345 3.569 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1Cc1coc(-c2cccs2)n1 ZINC000392130079 601543748 /nfs/dbraw/zinc/54/37/48/601543748.db2.gz KYKKONHFMRTADS-MRXNPFEDSA-N -1 0 340.404 3.587 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1Cc1csc(-c2ccco2)n1 ZINC000324718174 601545018 /nfs/dbraw/zinc/54/50/18/601545018.db2.gz FDBGGXAFDVNVOI-INIZCTEOSA-N -1 0 340.404 3.587 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CN1CCO[C@H](c2ccco2)C1 ZINC000652436434 601550045 /nfs/dbraw/zinc/55/00/45/601550045.db2.gz JTVMRGYPSRQORM-HNNXBMFYSA-N -1 0 343.404 3.766 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)C1(Cc2ccccc2)CC1)c1ccccc1 ZINC000833223461 601557496 /nfs/dbraw/zinc/55/74/96/601557496.db2.gz ONNOKZRWVNJBLG-GOSISDBHSA-N -1 0 337.419 3.732 20 0 EHADRM Cc1ccc(CNc2ccc(C(=O)[O-])nn2)c(OCCC(C)C)c1 ZINC000832934217 601563011 /nfs/dbraw/zinc/56/30/11/601563011.db2.gz MVCRBKBORMAEBP-UHFFFAOYSA-N -1 0 329.400 3.520 20 0 EHADRM Cc1cc(C(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)cc(C)c1OCC(=O)[O-] ZINC000262266969 601564439 /nfs/dbraw/zinc/56/44/39/601564439.db2.gz XMMMSCGLLSRUNZ-BFYDXBDKSA-N -1 0 345.439 3.560 20 0 EHADRM CCn1c2ccccc2nc1[C@@H]1CCCN1Cc1ccc(C(=O)[O-])o1 ZINC000652405594 601567958 /nfs/dbraw/zinc/56/79/58/601567958.db2.gz XUHQEFSDFHWOCJ-INIZCTEOSA-N -1 0 339.395 3.685 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)/C=C/SCc1ccco1 ZINC000776589620 601571199 /nfs/dbraw/zinc/57/11/99/601571199.db2.gz ULFBHXHMQAKQRQ-FMIVXFBMSA-N -1 0 345.420 3.530 20 0 EHADRM COc1ccc(C(=O)[O-])c(OCc2ncc(-c3ccccc3F)o2)c1 ZINC000832183407 601578214 /nfs/dbraw/zinc/57/82/14/601578214.db2.gz XSPYZSYRKXKAHR-UHFFFAOYSA-N -1 0 343.310 3.767 20 0 EHADRM CSc1ccc(C)c(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000345897192 601581338 /nfs/dbraw/zinc/58/13/38/601581338.db2.gz XQLAWLZQZQHZCM-OAHLLOKOSA-N -1 0 349.839 3.926 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc2ncsc2c1)c1ccc(Cl)cc1 ZINC000833126092 601584408 /nfs/dbraw/zinc/58/44/08/601584408.db2.gz RPHTWLKXLZIDCQ-AWEZNQCLSA-N -1 0 346.795 3.505 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc(C(F)F)cc1)c1ccc(Cl)cc1 ZINC000833124478 601584939 /nfs/dbraw/zinc/58/49/39/601584939.db2.gz CNOQGHNYDOQFNP-CYBMUJFWSA-N -1 0 339.725 3.833 20 0 EHADRM CSc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000345799421 601585594 /nfs/dbraw/zinc/58/55/94/601585594.db2.gz ZHMOCPQNGTWQJC-CQSZACIVSA-N -1 0 335.812 3.618 20 0 EHADRM C[C@H](C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1)c1cccc(F)c1 ZINC000537365653 601585873 /nfs/dbraw/zinc/58/58/73/601585873.db2.gz BONDPMXYGWLTGV-BONVTDFDSA-N -1 0 335.762 3.525 20 0 EHADRM O=C([O-])[C@@H](NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)C1CC1 ZINC000767044936 601595458 /nfs/dbraw/zinc/59/54/58/601595458.db2.gz JBOFICGQPURAGQ-VMSUTVGLSA-N -1 0 345.395 3.547 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(Oc2ccccc2Cl)cc1)C1CC1 ZINC000833125021 601597180 /nfs/dbraw/zinc/59/71/80/601597180.db2.gz FSACVFPAIPAFRF-INIZCTEOSA-N -1 0 345.782 3.725 20 0 EHADRM Cc1nc(CC(C)C)c(C(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)s1 ZINC000832998376 601606202 /nfs/dbraw/zinc/60/62/02/601606202.db2.gz KVKIVESIGUCSGG-SECBINFHSA-N -1 0 337.397 3.859 20 0 EHADRM Cc1ccc2c(CCC(=O)Nc3ccccc3CC(=O)[O-])c[nH]c2c1 ZINC000818929727 601613244 /nfs/dbraw/zinc/61/32/44/601613244.db2.gz NNUVZTRUXSEQOL-UHFFFAOYSA-N -1 0 336.391 3.675 20 0 EHADRM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000237473054 601613442 /nfs/dbraw/zinc/61/34/42/601613442.db2.gz VFARGWCBHGIVGB-GFCCVEGCSA-N -1 0 347.798 3.682 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)/C=C\c1ccc2ccccc2n1 ZINC000493817575 601613928 /nfs/dbraw/zinc/61/39/28/601613928.db2.gz ICIGGRQARUKRSL-QXMHVHEDSA-N -1 0 332.359 3.514 20 0 EHADRM CCOc1ccccc1NC(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000830109683 601614906 /nfs/dbraw/zinc/61/49/06/601614906.db2.gz JHVSHRLOPVGUBG-CXAGYDPISA-N -1 0 342.395 3.669 20 0 EHADRM Cc1ccc(C)c(SCC(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000237660347 601615098 /nfs/dbraw/zinc/61/50/98/601615098.db2.gz MEQPHUQWLQYQCR-UHFFFAOYSA-N -1 0 329.421 3.661 20 0 EHADRM Cc1cc(C(=O)Nc2ccccc2CC(=O)[O-])cc(C)c1OC(F)F ZINC000237798433 601615145 /nfs/dbraw/zinc/61/51/45/601615145.db2.gz QESQPXVBWSDBSF-UHFFFAOYSA-N -1 0 349.333 3.784 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818143727 601615497 /nfs/dbraw/zinc/61/54/97/601615497.db2.gz OMOINTZVLNRCHK-QRTARXTBSA-N -1 0 333.428 3.626 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818143726 601615540 /nfs/dbraw/zinc/61/55/40/601615540.db2.gz OMOINTZVLNRCHK-LXZKKBNFSA-N -1 0 333.428 3.626 20 0 EHADRM CSc1ccc(Cl)c(C(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000237332646 601616007 /nfs/dbraw/zinc/61/60/07/601616007.db2.gz QWAUHJMRDGXJDU-UHFFFAOYSA-N -1 0 335.812 3.941 20 0 EHADRM Cc1ccc(F)cc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000832934182 601619598 /nfs/dbraw/zinc/61/95/98/601619598.db2.gz ITMKUFKKYSEXTL-HNNXBMFYSA-N -1 0 335.762 3.733 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000776667258 601619920 /nfs/dbraw/zinc/61/99/20/601619920.db2.gz RIUQCCAYSIZFBK-DYVFJYSZSA-N -1 0 345.826 3.851 20 0 EHADRM CCCOc1ccc(NC(=O)N[C@H](CC(=O)[O-])C2CC2)cc1Cl ZINC000829532582 601620520 /nfs/dbraw/zinc/62/05/20/601620520.db2.gz TWBBKVWZIZFCSZ-CYBMUJFWSA-N -1 0 340.807 3.504 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CSc1nnc(C2CC2)n1C1CC1 ZINC000316129146 601620715 /nfs/dbraw/zinc/62/07/15/601620715.db2.gz GGWZOFULERLACN-UHFFFAOYSA-N -1 0 335.454 3.851 20 0 EHADRM O=C([O-])c1ccc(CSc2nccc(C(F)(F)F)n2)cc1F ZINC000833317336 601621328 /nfs/dbraw/zinc/62/13/28/601621328.db2.gz QLJBVUZPTRRQJK-UHFFFAOYSA-N -1 0 332.278 3.625 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)N[C@H](CC(=O)[O-])C3CC3)ccc21 ZINC000826917450 601623023 /nfs/dbraw/zinc/62/30/23/601623023.db2.gz CJCFVKUACWAAAS-MRXNPFEDSA-N -1 0 343.427 3.672 20 0 EHADRM COc1ccc(NC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c(C)c1 ZINC000832399088 601623180 /nfs/dbraw/zinc/62/31/80/601623180.db2.gz YPAHPEZSBLJZRM-CXAGYDPISA-N -1 0 342.395 3.587 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000237519503 601629187 /nfs/dbraw/zinc/62/91/87/601629187.db2.gz IOXNCIYPNYGXNG-QMTHXVAHSA-N -1 0 344.238 3.638 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CSc1n[nH]c(-c2ccccc2O)n1 ZINC000833031828 601632441 /nfs/dbraw/zinc/63/24/41/601632441.db2.gz SDUCREIXDABFAU-UHFFFAOYSA-N -1 0 347.421 3.538 20 0 EHADRM CC[C@H](C)C[S@](=O)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000828747709 601636064 /nfs/dbraw/zinc/63/60/64/601636064.db2.gz TYDDVJDECFBKOU-SAHAZLINSA-N -1 0 337.466 3.803 20 0 EHADRM C[C@@H](CSc1ccc(F)cc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000237489792 601636130 /nfs/dbraw/zinc/63/61/30/601636130.db2.gz KAOCOBNEGPXDPA-LBPRGKRZSA-N -1 0 347.411 3.569 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1C(=O)CCCc1csc2ccccc12 ZINC000128613503 601657965 /nfs/dbraw/zinc/65/79/65/601657965.db2.gz DBVPEZSDBSEKCY-HNNXBMFYSA-N -1 0 331.437 3.690 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1cc2cc(F)ccc2s1 ZINC000320461760 601663192 /nfs/dbraw/zinc/66/31/92/601663192.db2.gz LLZLZGAJNMUOIH-UHFFFAOYSA-N -1 0 329.352 3.920 20 0 EHADRM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(C(=O)[O-])s2)C1(CC)CC ZINC000236884314 601673494 /nfs/dbraw/zinc/67/34/94/601673494.db2.gz XRNYOUWFVAURAM-UONOGXRCSA-N -1 0 339.457 3.502 20 0 EHADRM O=C([O-])c1ccc(COc2nc(-c3ccccc3Cl)no2)cc1F ZINC000833315658 601676126 /nfs/dbraw/zinc/67/61/26/601676126.db2.gz ZHHCIDAECQNAAM-UHFFFAOYSA-N -1 0 348.717 3.806 20 0 EHADRM CN(Cc1ccc(NC(=O)[C@H]2C[C@H]2Cc2ccccc2)cc1)C(=O)[O-] ZINC000830830500 601678446 /nfs/dbraw/zinc/67/84/46/601678446.db2.gz FZFGWQGALDXNPP-AEFFLSMTSA-N -1 0 338.407 3.614 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCSc2ccccn2)cc1Cl ZINC000833101329 601679045 /nfs/dbraw/zinc/67/90/45/601679045.db2.gz PVQBGBQDRKHCDI-UHFFFAOYSA-N -1 0 336.800 3.554 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Cc2ccc(F)c(F)c2)cc1 ZINC000325270517 601681209 /nfs/dbraw/zinc/68/12/09/601681209.db2.gz MASVXNJYZZTITM-UHFFFAOYSA-N -1 0 333.334 3.508 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@@H](C)CSc1ccc(F)cc1 ZINC000262084540 601684291 /nfs/dbraw/zinc/68/42/91/601684291.db2.gz DYSVNHCPDUFCAC-LBPRGKRZSA-N -1 0 341.448 3.704 20 0 EHADRM CC(C)CC(C)(C)CNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000391084880 601693307 /nfs/dbraw/zinc/69/33/07/601693307.db2.gz BVKNTUPHQJXBJO-UHFFFAOYSA-N -1 0 328.359 3.857 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000262900152 601696907 /nfs/dbraw/zinc/69/69/07/601696907.db2.gz DNAMGVBSLVPCRT-IUODEOHRSA-N -1 0 329.421 3.516 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)COc1ccccc1Cl ZINC000833031796 601703603 /nfs/dbraw/zinc/70/36/03/601703603.db2.gz PQEOXLAVERDXCP-UHFFFAOYSA-N -1 0 340.784 3.530 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)CCC(=O)c1cccs1 ZINC000833031034 601704310 /nfs/dbraw/zinc/70/43/10/601704310.db2.gz FXPXUDBDJQPBSY-UHFFFAOYSA-N -1 0 338.406 3.523 20 0 EHADRM O=C([O-])C1(CNC(=O)c2cc3c(ccc4ccccc34)[nH]2)CCCC1 ZINC000683317452 601706562 /nfs/dbraw/zinc/70/65/62/601706562.db2.gz YBVKRIRMOHUAJQ-UHFFFAOYSA-N -1 0 336.391 3.696 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000833031284 601714217 /nfs/dbraw/zinc/71/42/17/601714217.db2.gz HMYRXQJMJCFGQN-ZIAGYGMSSA-N -1 0 334.368 3.741 20 0 EHADRM C[C@H](N(C)C(=O)Nc1cccc(CSCC(=O)[O-])c1)C1(C)CC1 ZINC000827602988 601715519 /nfs/dbraw/zinc/71/55/19/601715519.db2.gz CXDKLNQVCXOSRQ-LBPRGKRZSA-N -1 0 336.457 3.657 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])s1)c1cccc(N2CCCC2)c1 ZINC000827694418 601721728 /nfs/dbraw/zinc/72/17/28/601721728.db2.gz FOWMZOAXSHQXQC-GFCCVEGCSA-N -1 0 344.436 3.538 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCc3cc(-c4ccccc4)oc3C2)c1 ZINC000833327610 601727828 /nfs/dbraw/zinc/72/78/28/601727828.db2.gz PWILRZLARRKTGD-UHFFFAOYSA-N -1 0 347.370 3.843 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000829014695 601733014 /nfs/dbraw/zinc/73/30/14/601733014.db2.gz NFFGYYXEVRYVQR-MRXNPFEDSA-N -1 0 346.354 3.733 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1F ZINC000678990597 601744184 /nfs/dbraw/zinc/74/41/84/601744184.db2.gz UZOIGNGBARGTJC-CYBMUJFWSA-N -1 0 342.153 3.688 20 0 EHADRM Cc1c2nc(NC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)sc2ccc1F ZINC000832854670 601750446 /nfs/dbraw/zinc/75/04/46/601750446.db2.gz NERNEKFDPKURCQ-UWVGGRQHSA-N -1 0 336.388 3.573 20 0 EHADRM CC[C@@H](NC(=O)[C@H](Sc1ccccc1F)c1ccccc1)C(=O)[O-] ZINC000555637186 601755081 /nfs/dbraw/zinc/75/50/81/601755081.db2.gz AHPAYISXWHTVGV-GDBMZVCRSA-N -1 0 347.411 3.639 20 0 EHADRM Cc1nn(CCCOc2cc(C)cc(C)c2)c(C)c1[C@H](C)C(=O)[O-] ZINC000832879191 601778332 /nfs/dbraw/zinc/77/83/32/601778332.db2.gz YRODWGBWWYMGLE-AWEZNQCLSA-N -1 0 330.428 3.774 20 0 EHADRM Cc1cc(C(=O)Nc2nc(CCCC(=O)[O-])cs2)c(C)n1C(C)C ZINC000832867547 601783004 /nfs/dbraw/zinc/78/30/04/601783004.db2.gz ZATZFJBRXGDTIB-UHFFFAOYSA-N -1 0 349.456 3.802 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cccc(Oc3ccccc3)c2)C[C@H]1C(=O)[O-] ZINC000327620466 601788577 /nfs/dbraw/zinc/78/85/77/601788577.db2.gz OEQQBCGEQPCJPZ-SUMWQHHRSA-N -1 0 340.379 3.663 20 0 EHADRM O=C([O-])c1cc(NCc2noc(-c3ccsc3)n2)ccc1Cl ZINC000833300481 601789947 /nfs/dbraw/zinc/78/99/47/601789947.db2.gz OQRZUANFVDUMFF-UHFFFAOYSA-N -1 0 335.772 3.762 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCCC[C@H]2c2ncc[nH]2)cc1Cl ZINC000833319978 601794597 /nfs/dbraw/zinc/79/45/97/601794597.db2.gz QOCOPNNTQNBLJZ-ZDUSSCGKSA-N -1 0 348.790 3.520 20 0 EHADRM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)c1ccc2ccccc2c1 ZINC000237435953 601798635 /nfs/dbraw/zinc/79/86/35/601798635.db2.gz YJKHOGWIMJYWPM-AWEZNQCLSA-N -1 0 333.387 3.958 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000237300883 601801235 /nfs/dbraw/zinc/80/12/35/601801235.db2.gz BMMRXJZHUSSSHH-AWEZNQCLSA-N -1 0 341.407 3.546 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc2cccc(Cl)c2o1 ZINC000774071479 601801652 /nfs/dbraw/zinc/80/16/52/601801652.db2.gz FSVKNDIZEOPRCB-HONMWMINSA-N -1 0 347.798 3.944 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)Nc2cc(OC)ccc2C(=O)[O-])c1 ZINC000832528959 601803344 /nfs/dbraw/zinc/80/33/44/601803344.db2.gz SRPTZUXRMAIEGJ-LBPRGKRZSA-N -1 0 343.379 3.534 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OC(=O)c1ccc(F)c(F)c1F ZINC000833298915 601813386 /nfs/dbraw/zinc/81/33/86/601813386.db2.gz IEJLSHLMSGGDPR-UHFFFAOYSA-N -1 0 330.645 3.675 20 0 EHADRM C[C@H]1CCC[C@H](C)N1C(=O)CSCc1ccc(C(=O)[O-])c(F)c1 ZINC000828237645 601814033 /nfs/dbraw/zinc/81/40/33/601814033.db2.gz CQSKNCRWMVYAMG-RYUDHWBXSA-N -1 0 339.432 3.547 20 0 EHADRM Cc1cc(C)c(/C=C\C(=O)N2CCC(CCC(=O)[O-])CC2)cc1C ZINC000777372670 601818523 /nfs/dbraw/zinc/81/85/23/601818523.db2.gz LXMNGSUOHUFVKB-WAYWQWQTSA-N -1 0 329.440 3.728 20 0 EHADRM Cc1c(C(=O)N2CCC(CCC(=O)[O-])CC2)sc2nccc(C)c12 ZINC000659774747 601820617 /nfs/dbraw/zinc/82/06/17/601820617.db2.gz NZPOOXALUUHAEZ-UHFFFAOYSA-N -1 0 346.452 3.630 20 0 EHADRM C[C@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccc(Cl)s1 ZINC000315934463 601824152 /nfs/dbraw/zinc/82/41/52/601824152.db2.gz QAAXRKHPFGTIAC-JTQLQIEISA-N -1 0 344.864 3.749 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)NCc2ccc3ccccc3c2)CC1 ZINC000833224210 601826986 /nfs/dbraw/zinc/82/69/86/601826986.db2.gz WTXIHJFNRDRTHL-UHFFFAOYSA-N -1 0 340.423 3.626 20 0 EHADRM Cn1c2ccccc2nc1[C@@H]1CCCN1Cc1ccsc1C(=O)[O-] ZINC000580838709 601841630 /nfs/dbraw/zinc/84/16/30/601841630.db2.gz SBAQNKWJTDJXTA-HNNXBMFYSA-N -1 0 341.436 3.670 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)OCc2cc(C)c(C(=O)[O-])o2)c1 ZINC000832529005 601843861 /nfs/dbraw/zinc/84/38/61/601843861.db2.gz UROQIFKRAAJYPG-NSHDSACASA-N -1 0 332.352 3.532 20 0 EHADRM Cc1ccc(-n2cnnc2SCc2ccc(C(=O)[O-])s2)c(C)c1 ZINC000832909498 601845310 /nfs/dbraw/zinc/84/53/10/601845310.db2.gz NSJBFIOMAOUWPN-UHFFFAOYSA-N -1 0 345.449 3.936 20 0 EHADRM CCc1cccc(CC)c1NC(=S)NCc1cccc(C(=O)[O-])c1 ZINC000830265985 601846047 /nfs/dbraw/zinc/84/60/47/601846047.db2.gz XQNLDRWHZIKIPW-UHFFFAOYSA-N -1 0 342.464 3.996 20 0 EHADRM Cc1cc(F)c(C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)cc1F ZINC000832887279 601846051 /nfs/dbraw/zinc/84/60/51/601846051.db2.gz MTXZPUKSRATHEX-UHFFFAOYSA-N -1 0 337.347 3.774 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)c2cncc(-c3ccccc3)c2)cc1 ZINC000833267192 601846531 /nfs/dbraw/zinc/84/65/31/601846531.db2.gz OSCSDMNFDDWUKX-UHFFFAOYSA-N -1 0 333.343 3.595 20 0 EHADRM Cc1nc(NC(=O)C2(NC(=O)[O-])CCCC2)sc1-c1ccccc1 ZINC000740219972 601869858 /nfs/dbraw/zinc/86/98/58/601869858.db2.gz HRFVGQWBAGCIOS-UHFFFAOYSA-N -1 0 345.424 3.637 20 0 EHADRM Cc1ccc(SCC(=O)Oc2ccc(SCC(=O)[O-])cc2)cc1 ZINC000832958203 601878580 /nfs/dbraw/zinc/87/85/80/601878580.db2.gz WOERRIVFVNEOQV-UHFFFAOYSA-N -1 0 348.445 3.869 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cc(F)ccc2Br)s1 ZINC000232224249 601896079 /nfs/dbraw/zinc/89/60/79/601896079.db2.gz GDBSZPBZTNLJJA-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM COc1cccc([C@H](C)CC(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])c1 ZINC000262088711 601906894 /nfs/dbraw/zinc/90/68/94/601906894.db2.gz LFPSZLHPQRPRTL-ZTFGCOKTSA-N -1 0 347.455 3.729 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NCC(=O)NCCC2CCCCC2)cc1 ZINC000826127163 601909602 /nfs/dbraw/zinc/90/96/02/601909602.db2.gz PEYDGXRIKGPWFU-UHFFFAOYSA-N -1 0 346.471 3.547 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)c1ccc(Cl)cc1F ZINC000262064534 601914810 /nfs/dbraw/zinc/91/48/10/601914810.db2.gz BOFFKAOQPSYPFX-OCCSQVGLSA-N -1 0 327.783 3.633 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2cc(C3CC3)nc3ccccc32)c1 ZINC000344412682 601917604 /nfs/dbraw/zinc/91/76/04/601917604.db2.gz VQOUTOHMYKHJLV-UHFFFAOYSA-N -1 0 346.386 3.740 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2cc(Cl)sc2Cl)c1 ZINC000224795174 601927927 /nfs/dbraw/zinc/92/79/27/601927927.db2.gz NGMOLGOISUZPFD-UHFFFAOYSA-N -1 0 330.192 3.683 20 0 EHADRM CCCNC(=S)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC000829519509 601954448 /nfs/dbraw/zinc/95/44/48/601954448.db2.gz KPIFOBFBPFJPIL-UHFFFAOYSA-N -1 0 344.436 3.660 20 0 EHADRM O=C([O-])c1ccc(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)s1 ZINC000577760724 601957209 /nfs/dbraw/zinc/95/72/09/601957209.db2.gz OCYNZYPVGBCGRA-UHFFFAOYSA-N -1 0 347.280 3.763 20 0 EHADRM Cc1cc(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)c(Cl)cc1F ZINC000832858657 601959929 /nfs/dbraw/zinc/95/99/29/601959929.db2.gz CXFCCGLVSOQSFC-HNNXBMFYSA-N -1 0 335.762 3.685 20 0 EHADRM CC(C)CCN(C)C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000826848884 601970290 /nfs/dbraw/zinc/97/02/90/601970290.db2.gz JIZKNSLYXQUNFJ-UHFFFAOYSA-N -1 0 332.322 3.913 20 0 EHADRM Cc1nc(C(F)(F)F)ccc1C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000832994481 602002407 /nfs/dbraw/zinc/00/24/07/602002407.db2.gz JYUGVSXKDOZSMM-UHFFFAOYSA-N -1 0 345.298 3.526 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)OCc1ccc(C(=O)[O-])s1 ZINC000832607908 602008121 /nfs/dbraw/zinc/00/81/21/602008121.db2.gz OAQXWTYUWZAXAT-LBPRGKRZSA-N -1 0 348.420 3.767 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000832853933 602014370 /nfs/dbraw/zinc/01/43/70/602014370.db2.gz YXIOXAYRBABKFY-LJQANCHMSA-N -1 0 348.443 3.639 20 0 EHADRM C/C(=C\COC(=O)c1cncc(-c2ccc(Cl)cc2)c1)C(=O)[O-] ZINC000825787208 602014878 /nfs/dbraw/zinc/01/48/78/602014878.db2.gz YIPTYUALJZAJTE-IZZDOVSWSA-N -1 0 331.755 3.590 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2ccn(C3CCCC3)n2)c1 ZINC000181868267 602014961 /nfs/dbraw/zinc/01/49/61/602014961.db2.gz LKLQWICFTDDACY-UHFFFAOYSA-N -1 0 333.775 3.602 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000238101759 602020981 /nfs/dbraw/zinc/02/09/81/602020981.db2.gz NFRKRHMHZSIHGS-WIYYLYMNSA-N -1 0 343.467 3.822 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)c1cccc(Br)c1 ZINC000137016415 602021282 /nfs/dbraw/zinc/02/12/82/602021282.db2.gz DIQOWVDQICUQFI-UHFFFAOYSA-N -1 0 342.233 3.604 20 0 EHADRM Cc1ncccc1NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000833008970 602023766 /nfs/dbraw/zinc/02/37/66/602023766.db2.gz GFEFANVXNCGLCW-UHFFFAOYSA-N -1 0 339.273 3.751 20 0 EHADRM COc1ccc(C)cc1NC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000832266067 602025993 /nfs/dbraw/zinc/02/59/93/602025993.db2.gz VIXQBTUWNFJBDH-ZIAGYGMSSA-N -1 0 334.416 3.549 20 0 EHADRM CSc1ccc(NC(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])cc1 ZINC000832781092 602028956 /nfs/dbraw/zinc/02/89/56/602028956.db2.gz QJADXAOIBMWSGC-HUUCEWRRSA-N -1 0 336.457 3.954 20 0 EHADRM CC[C@@H]1CCN(C(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000829126098 602031529 /nfs/dbraw/zinc/03/15/29/602031529.db2.gz UOZPVVQOZCYSSZ-SECBINFHSA-N -1 0 330.306 3.667 20 0 EHADRM O=C([O-])c1ccc(OC(=O)c2ccn(C3CCCC3)n2)c(Cl)c1 ZINC000833322080 602033857 /nfs/dbraw/zinc/03/38/57/602033857.db2.gz VCSFXASFJWURLM-UHFFFAOYSA-N -1 0 334.759 3.569 20 0 EHADRM COc1ccc(NC(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])c(C)c1 ZINC000832404370 602037610 /nfs/dbraw/zinc/03/76/10/602037610.db2.gz WMYNDNQTHGATPV-GDBMZVCRSA-N -1 0 334.416 3.549 20 0 EHADRM O=C([O-])Nc1cc(C(=O)OC[C@H]2CCSC2)cc(C(F)(F)F)c1 ZINC000833282994 602041017 /nfs/dbraw/zinc/04/10/17/602041017.db2.gz CQXADUOKNSFUMA-MRVPVSSYSA-N -1 0 349.330 3.705 20 0 EHADRM COc1cc(C)ccc1CNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000831967453 602042285 /nfs/dbraw/zinc/04/22/85/602042285.db2.gz XXZKLIIEWQSXPW-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM O=C([O-])NC[C@@H]1CCCCN1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000740621635 602046490 /nfs/dbraw/zinc/04/64/90/602046490.db2.gz DYQVEDFKDWTKTK-AWEZNQCLSA-N -1 0 349.818 3.617 20 0 EHADRM CC[C@@H](OC(=O)CCSCC(=O)[O-])c1c(F)cccc1Cl ZINC000829004343 602047204 /nfs/dbraw/zinc/04/72/04/602047204.db2.gz GGABFRFHDHLTIO-LLVKDONJSA-N -1 0 334.796 3.681 20 0 EHADRM CCCn1nc(C)c(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)c1C ZINC000829585042 602051446 /nfs/dbraw/zinc/05/14/46/602051446.db2.gz BPBTYDZSFXJZFQ-UHFFFAOYSA-N -1 0 335.791 3.514 20 0 EHADRM O=C([O-])c1cc(NC(=O)/C=C/SCc2ccco2)c(F)cc1F ZINC000833092330 602051947 /nfs/dbraw/zinc/05/19/47/602051947.db2.gz CQRPICRWFSUAEB-HWKANZROSA-N -1 0 339.319 3.642 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2ccc(SC(F)F)cc2)c1 ZINC000738624792 602067094 /nfs/dbraw/zinc/06/70/94/602067094.db2.gz GEAGKHRZHZPGOI-UHFFFAOYSA-N -1 0 337.347 3.881 20 0 EHADRM Cc1cccc2c1CC[C@H]2NC(=O)NCCCCCCCC(=O)[O-] ZINC000832974964 602067705 /nfs/dbraw/zinc/06/77/05/602067705.db2.gz TUMHBPFPCCHCSJ-QGZVFWFLSA-N -1 0 332.444 3.707 20 0 EHADRM CC(C)c1ccc(OCCC(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000236678884 602068442 /nfs/dbraw/zinc/06/84/42/602068442.db2.gz LELQIMLKOSMPHH-UHFFFAOYSA-N -1 0 341.407 3.845 20 0 EHADRM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)NCCCCCCCC(=O)[O-] ZINC000828516864 602069807 /nfs/dbraw/zinc/06/98/07/602069807.db2.gz VRTXQNNIJGRJMU-KBXCAEBGSA-N -1 0 332.444 3.644 20 0 EHADRM CC(C)[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000826748175 602080172 /nfs/dbraw/zinc/08/01/72/602080172.db2.gz XLNHTMOTUKCLKW-SOLBZPMBSA-N -1 0 329.440 3.659 20 0 EHADRM CC(C)CO[C@H](C)C(=O)O[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000826895066 602082480 /nfs/dbraw/zinc/08/24/80/602082480.db2.gz BJCSVSRMFZLIBT-NOZJJQNGSA-N -1 0 349.210 3.723 20 0 EHADRM C[C@@H](C(=O)O[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1)C(F)(F)F ZINC000826061311 602087513 /nfs/dbraw/zinc/08/75/13/602087513.db2.gz KGZSPFNFEXBSRR-CDUCUWFYSA-N -1 0 345.100 3.861 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000827271127 602087569 /nfs/dbraw/zinc/08/75/69/602087569.db2.gz GSUARPCLSNZUEO-SJKOYZFVSA-N -1 0 331.799 3.656 20 0 EHADRM O=C([O-])[C@@H](OC(=O)CCn1cccc1)c1cc(Cl)cc(Cl)c1 ZINC000833103852 602089247 /nfs/dbraw/zinc/08/92/47/602089247.db2.gz JPSLWCJAZJXSLN-AWEZNQCLSA-N -1 0 342.178 3.554 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)NCCCCCCCC(=O)[O-] ZINC000828185599 602093033 /nfs/dbraw/zinc/09/30/33/602093033.db2.gz ZJXCLGKPZHFYGW-AEFFLSMTSA-N -1 0 346.471 3.999 20 0 EHADRM CC(C)(NC(=O)[O-])c1noc(CSc2cccc(Cl)c2)n1 ZINC000738757450 602107130 /nfs/dbraw/zinc/10/71/30/602107130.db2.gz JLZWHLPUDYFLHM-UHFFFAOYSA-N -1 0 327.793 3.518 20 0 EHADRM CCCCN1C(=O)N[C@@H](c2cnc(C3CCC3)s2)C(C(=O)[O-])=C1C ZINC000829389893 602109066 /nfs/dbraw/zinc/10/90/66/602109066.db2.gz XMQLXMNUIDTBCI-AWEZNQCLSA-N -1 0 349.456 3.636 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 ZINC000827311044 602109559 /nfs/dbraw/zinc/10/95/59/602109559.db2.gz OXYSFJOKYYXZSL-GFCCVEGCSA-N -1 0 347.798 3.968 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000827248338 602109566 /nfs/dbraw/zinc/10/95/66/602109566.db2.gz YFIMUDUDCXAVGQ-VIFPVBQESA-N -1 0 330.211 3.595 20 0 EHADRM Cc1cc(C(=O)Nc2sccc2C(=O)[O-])c(Br)s1 ZINC000832866311 602120699 /nfs/dbraw/zinc/12/06/99/602120699.db2.gz CZHFXBMFKPEWNF-UHFFFAOYSA-N -1 0 346.227 3.831 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)c1cccc(OC(F)(F)F)c1 ZINC000196360109 602124082 /nfs/dbraw/zinc/12/40/82/602124082.db2.gz OIAQXEHDOWIYME-UHFFFAOYSA-N -1 0 343.232 3.675 20 0 EHADRM CCN(C(=O)[C@@H](C)CC(=O)[O-])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000829590708 602131345 /nfs/dbraw/zinc/13/13/45/602131345.db2.gz BXHNCLWEXQDFMX-QWRGUYRKSA-N -1 0 331.334 3.726 20 0 EHADRM CCC[C@H](NC(=O)[C@H](C)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000829222866 602141134 /nfs/dbraw/zinc/14/11/34/602141134.db2.gz HFRYIRYPGYKVOE-MFKMUULPSA-N -1 0 331.334 3.774 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000829009774 602149851 /nfs/dbraw/zinc/14/98/51/602149851.db2.gz PMIQQLCONSXBLQ-MRXNPFEDSA-N -1 0 334.416 3.521 20 0 EHADRM Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)[C@@H](C)CC(=O)[O-] ZINC000832907430 602153544 /nfs/dbraw/zinc/15/35/44/602153544.db2.gz VFVACQQJARBVCN-RYUDHWBXSA-N -1 0 346.452 3.715 20 0 EHADRM CCO[C@@H](CC(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1)C(C)C ZINC000829912151 602159469 /nfs/dbraw/zinc/15/94/69/602159469.db2.gz GMCQWZICKVRWNM-JTQLQIEISA-N -1 0 342.461 3.529 20 0 EHADRM Cc1noc(C)c1C(=O)Nc1cc(C(F)(F)F)ccc1NC(=O)[O-] ZINC000740261810 602169716 /nfs/dbraw/zinc/16/97/16/602169716.db2.gz AOLGKVPIABDSFO-UHFFFAOYSA-N -1 0 343.261 3.652 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N1CCCC[C@H]1c1nc(C(C)(C)C)cs1 ZINC000827257923 602174735 /nfs/dbraw/zinc/17/47/35/602174735.db2.gz VEPFVDWQWHPPGS-RYUDHWBXSA-N -1 0 338.473 3.605 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N1CCCC[C@@H]1c1nc(C(C)(C)C)cs1 ZINC000827257924 602174763 /nfs/dbraw/zinc/17/47/63/602174763.db2.gz VEPFVDWQWHPPGS-VXGBXAGGSA-N -1 0 338.473 3.605 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)c1cc(F)c(F)cc1Cl ZINC000740715591 602180504 /nfs/dbraw/zinc/18/05/04/602180504.db2.gz KSVRROHPNJHSIM-UHFFFAOYSA-N -1 0 326.686 3.960 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)Oc1ccccc1-c1nc2ccccc2s1 ZINC000827348232 602181177 /nfs/dbraw/zinc/18/11/77/602181177.db2.gz AXWOVXAMICIGQL-LLVKDONJSA-N -1 0 341.388 3.980 20 0 EHADRM Cc1noc2nc(C(C)C)cc(C(=O)Nc3cc(C(=O)[O-])cs3)c12 ZINC000191359548 602184952 /nfs/dbraw/zinc/18/49/52/602184952.db2.gz FHOKQSLDSKMLHL-UHFFFAOYSA-N -1 0 345.380 3.667 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N1CCc2cc(Cl)cc(Cl)c2[C@@H]1C ZINC000827262260 602196876 /nfs/dbraw/zinc/19/68/76/602196876.db2.gz HGYUUSRCCFPJMP-BDAKNGLRSA-N -1 0 330.211 3.550 20 0 EHADRM CCc1cccc(NC(=O)c2cccn2C2CCN(C(=O)[O-])CC2)c1 ZINC000739548953 602229254 /nfs/dbraw/zinc/22/92/54/602229254.db2.gz XSGQMRXWJBCIJK-UHFFFAOYSA-N -1 0 341.411 3.618 20 0 EHADRM Cc1cccc(NC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c1 ZINC000832970057 602234622 /nfs/dbraw/zinc/23/46/22/602234622.db2.gz ALXYMWAPZXDEKY-INIZCTEOSA-N -1 0 326.396 3.969 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N[C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000827271954 602239740 /nfs/dbraw/zinc/23/97/40/602239740.db2.gz MEXZNEAPHCJTRJ-GTNSWQLSSA-N -1 0 349.789 3.796 20 0 EHADRM CC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])cc1 ZINC000738867826 602242326 /nfs/dbraw/zinc/24/23/26/602242326.db2.gz WYIGEYWKJVDPTD-UHFFFAOYSA-N -1 0 340.379 3.767 20 0 EHADRM CCN(Cc1ccccc1NC(=O)c1nccc2ccccc21)C(=O)[O-] ZINC000739445144 602246957 /nfs/dbraw/zinc/24/69/57/602246957.db2.gz MRTADXZSQBCGPV-UHFFFAOYSA-N -1 0 349.390 3.987 20 0 EHADRM CCN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739445542 602279909 /nfs/dbraw/zinc/27/99/09/602279909.db2.gz UAVHNBVEUXTUOC-UHFFFAOYSA-N -1 0 339.395 3.781 20 0 EHADRM C[C@H](c1ccccc1)N(C)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739056740 602281160 /nfs/dbraw/zinc/28/11/60/602281160.db2.gz FUCDLFCSYMSDMR-CYBMUJFWSA-N -1 0 339.395 3.952 20 0 EHADRM CC(C)[C@@H](NC(=O)c1ccc(CNC(=O)[O-])cc1)c1ccccc1 ZINC000738796970 602284099 /nfs/dbraw/zinc/28/40/99/602284099.db2.gz IOOTVCKLZDAQSJ-QGZVFWFLSA-N -1 0 326.396 3.581 20 0 EHADRM CC(C)Oc1ccc(CNC(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000827054910 602289074 /nfs/dbraw/zinc/28/90/74/602289074.db2.gz PSCQOZSSDCIRQC-UHFFFAOYSA-N -1 0 334.397 3.555 20 0 EHADRM O=C([O-])c1csc(NC(=O)N2CCC[C@@H]2Cc2ccccc2)c1 ZINC000833341987 602290547 /nfs/dbraw/zinc/29/05/47/602290547.db2.gz BYVXFVUVEDTTLL-CQSZACIVSA-N -1 0 330.409 3.685 20 0 EHADRM COc1ccc(C)cc1[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000832252432 602290962 /nfs/dbraw/zinc/29/09/62/602290962.db2.gz NGOSDUCAGQEPDX-SNVBAGLBSA-N -1 0 334.397 3.646 20 0 EHADRM CCOc1ccc(CN(C)C(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000830075508 602290997 /nfs/dbraw/zinc/29/09/97/602290997.db2.gz ZASIUZNIJDDEEM-UHFFFAOYSA-N -1 0 334.397 3.509 20 0 EHADRM CC(C)[C@H](CC(=O)N[C@H](C)[C@@H]1CCCN(C(=O)[O-])C1)c1ccccc1 ZINC000738773227 602293673 /nfs/dbraw/zinc/29/36/73/602293673.db2.gz IUVNQHUJWKWVNW-NXHRZFHOSA-N -1 0 346.471 3.711 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C[C@H](C)c1ccncc1 ZINC000827041991 602293982 /nfs/dbraw/zinc/29/39/82/602293982.db2.gz JKARIXMCSPZODX-ZDUSSCGKSA-N -1 0 342.395 3.699 20 0 EHADRM CCOc1cccc(NC(=S)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000830104880 602301136 /nfs/dbraw/zinc/30/11/36/602301136.db2.gz XRPQLGMZFVIUAS-UHFFFAOYSA-N -1 0 334.372 3.732 20 0 EHADRM CC(C)c1cccc(NC(=O)CNc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000827134283 602304469 /nfs/dbraw/zinc/30/44/69/602304469.db2.gz PGDFVJPFGDLAEU-UHFFFAOYSA-N -1 0 330.359 3.698 20 0 EHADRM C[C@H]1CC[C@@H](CC(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC000828220737 602312049 /nfs/dbraw/zinc/31/20/49/602312049.db2.gz CSMGUSKODGPNND-VHSXEESVSA-N -1 0 327.327 3.751 20 0 EHADRM Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)CCC(=O)[O-] ZINC000574705726 602322964 /nfs/dbraw/zinc/32/29/64/602322964.db2.gz KXYMCOKFSNVJIM-LBPRGKRZSA-N -1 0 332.425 3.503 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)Nc1ccccc1Oc1cc(F)cc(F)c1 ZINC000827316913 602328033 /nfs/dbraw/zinc/32/80/33/602328033.db2.gz GCVQNBKQCCUVTN-JTQLQIEISA-N -1 0 335.306 3.806 20 0 EHADRM C[C@@H](NC(=O)[C@H](NC(=O)[O-])c1ccccc1)c1ccc(Cl)cc1 ZINC000739022161 602341687 /nfs/dbraw/zinc/34/16/87/602341687.db2.gz SWNUHQFFXZPWOG-IAQYHMDHSA-N -1 0 332.787 3.526 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)[C@H]3CCSC3)ccc2n1C1CC1 ZINC000832851540 602346919 /nfs/dbraw/zinc/34/69/19/602346919.db2.gz TTYGCURMXQHIGB-NSHDSACASA-N -1 0 345.420 3.641 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCCCC(=O)c2ccccc2)cc1F ZINC000833097920 602354387 /nfs/dbraw/zinc/35/43/87/602354387.db2.gz ZYNSJJSVSLKUNK-UHFFFAOYSA-N -1 0 343.354 3.906 20 0 EHADRM Cc1ccc2c(CCC(=O)Nc3ccc(C(=O)[O-])c(F)c3)c[nH]c2c1 ZINC000832959881 602356376 /nfs/dbraw/zinc/35/63/76/602356376.db2.gz KIPHRNNUILDSKI-UHFFFAOYSA-N -1 0 340.354 3.885 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1F ZINC000391613341 602356950 /nfs/dbraw/zinc/35/69/50/602356950.db2.gz DVFQBJMBZACKJN-BDAKNGLRSA-N -1 0 333.281 3.831 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1F ZINC000391613347 602357033 /nfs/dbraw/zinc/35/70/33/602357033.db2.gz DVFQBJMBZACKJN-RKDXNWHRSA-N -1 0 333.281 3.831 20 0 EHADRM Cc1ccc(-c2nc(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)cs2)o1 ZINC000767204777 602361345 /nfs/dbraw/zinc/36/13/45/602361345.db2.gz BPGAPDGRHJQOQU-UHFFFAOYSA-N -1 0 346.339 3.801 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)cc1F ZINC000833318749 602371014 /nfs/dbraw/zinc/37/10/14/602371014.db2.gz CXYPOOCUSZEXSN-GFCCVEGCSA-N -1 0 346.333 3.684 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1nc(C)cs1 ZINC000828951080 602371365 /nfs/dbraw/zinc/37/13/65/602371365.db2.gz CABGLDQHNJNAED-GFCCVEGCSA-N -1 0 337.376 3.562 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000827396022 602373531 /nfs/dbraw/zinc/37/35/31/602373531.db2.gz BRBPXAMSNLLRJX-CYBMUJFWSA-N -1 0 343.427 3.601 20 0 EHADRM CC(C)Oc1cccc(CNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000827058805 602374218 /nfs/dbraw/zinc/37/42/18/602374218.db2.gz XKJSWHUJJANWDZ-UHFFFAOYSA-N -1 0 346.358 3.633 20 0 EHADRM Cc1ccc(CC[C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)o1 ZINC000832930035 602380142 /nfs/dbraw/zinc/38/01/42/602380142.db2.gz JGXSLOYRRYCELY-SNVBAGLBSA-N -1 0 334.347 3.568 20 0 EHADRM CCC[C@@H](NC(=O)[O-])C(=O)N(C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000739302063 602381311 /nfs/dbraw/zinc/38/13/11/602381311.db2.gz HLGWONFUGSRKDB-ZWNOBZJWSA-N -1 0 346.349 3.661 20 0 EHADRM CCOc1cc(Cl)ccc1NC(=O)NCC1(C(=O)[O-])CCCC1 ZINC000830049689 602381736 /nfs/dbraw/zinc/38/17/36/602381736.db2.gz NMQKUKOEXVWCEM-UHFFFAOYSA-N -1 0 340.807 3.505 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCCc2ccc(Cl)cc2)cc1F ZINC000323177638 602385404 /nfs/dbraw/zinc/38/54/04/602385404.db2.gz YUMQAPWLFCNVQX-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM Cc1cc([C@H](C)NC(=O)[C@H](NC(=O)[O-])c2ccccc2)c(C)s1 ZINC000740058803 602387084 /nfs/dbraw/zinc/38/70/84/602387084.db2.gz FINPWNJITJEPBM-XHDPSFHLSA-N -1 0 332.425 3.551 20 0 EHADRM COc1ccc2sc(C(=O)N(CC(=O)[O-])C3CCCC3)c(C)c2c1 ZINC000832510444 602400750 /nfs/dbraw/zinc/40/07/50/602400750.db2.gz MWOBGCPRNUVFEP-UHFFFAOYSA-N -1 0 347.436 3.688 20 0 EHADRM COc1ccc(Cc2noc(-c3ccc(F)c(NC(=O)[O-])c3)n2)cc1 ZINC000739900995 602406403 /nfs/dbraw/zinc/40/64/03/602406403.db2.gz CUVLZSPUXYFJRG-UHFFFAOYSA-N -1 0 343.314 3.565 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(Cc2cccc(OC(C)C)c2)n1 ZINC000738823708 602407101 /nfs/dbraw/zinc/40/71/01/602407101.db2.gz MZARSEUMPRNSFN-HNNXBMFYSA-N -1 0 347.415 3.802 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(-c2cc(F)c(F)c(F)c2)n1 ZINC000738817909 602407721 /nfs/dbraw/zinc/40/77/21/602407721.db2.gz VCKDHTMOVDJEPZ-SNVBAGLBSA-N -1 0 329.278 3.509 20 0 EHADRM C[C@@H](NC(=O)[O-])C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000739008559 602408908 /nfs/dbraw/zinc/40/89/08/602408908.db2.gz MPHVDTFPNXBJRH-SECBINFHSA-N -1 0 345.226 3.502 20 0 EHADRM COc1ccccc1/C(C)=C/c1nc(C2(NC(=O)[O-])CCCC2)no1 ZINC000739953662 602412224 /nfs/dbraw/zinc/41/22/24/602412224.db2.gz CDBILORDVFTZMZ-VAWYXSNFSA-N -1 0 343.383 3.676 20 0 EHADRM CC(C)OCc1ccc(-c2nc(C3(NC(=O)[O-])CCCC3)no2)cc1 ZINC000738859394 602412519 /nfs/dbraw/zinc/41/25/19/602412519.db2.gz RQMOBSRGULPIBW-UHFFFAOYSA-N -1 0 345.399 3.699 20 0 EHADRM C[C@@H](Cc1nc(C2(NC(=O)[O-])CCCC2)no1)c1ccc(F)cc1 ZINC000738943839 602413420 /nfs/dbraw/zinc/41/34/20/602413420.db2.gz HTRSYVYQDNGUAI-NSHDSACASA-N -1 0 333.363 3.592 20 0 EHADRM O=C([O-])NC1(c2noc([C@H]3C[C@@H]3c3ccc(F)c(F)c3)n2)CCCC1 ZINC000740547760 602413699 /nfs/dbraw/zinc/41/36/99/602413699.db2.gz BPBCTMZATODXFQ-MNOVXSKESA-N -1 0 349.337 3.656 20 0 EHADRM O=C([O-])NC1(c2noc([C@H]3CCC[C@@H](C(F)(F)F)C3)n2)CCC1 ZINC000740550502 602418929 /nfs/dbraw/zinc/41/89/29/602418929.db2.gz XUXRNSXTDKCSJF-DTWKUNHWSA-N -1 0 333.310 3.553 20 0 EHADRM CC(C)c1ccc([C@@H](CNC(=O)N(C)[C@H](C)C2CC2)NC(=O)[O-])cc1 ZINC000738875420 602425036 /nfs/dbraw/zinc/42/50/36/602425036.db2.gz GPAJTEHCQJKCNX-CXAGYDPISA-N -1 0 347.459 3.559 20 0 EHADRM CC(C)c1ccc([C@H](CNC(=O)N(C)[C@@H](C)C2CC2)NC(=O)[O-])cc1 ZINC000738875424 602425151 /nfs/dbraw/zinc/42/51/51/602425151.db2.gz GPAJTEHCQJKCNX-GUYCJALGSA-N -1 0 347.459 3.559 20 0 EHADRM Cc1ccc(F)c(NC(=O)CC[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000740127120 602456004 /nfs/dbraw/zinc/45/60/04/602456004.db2.gz KHNZWGADGUEVOX-HNNXBMFYSA-N -1 0 330.359 3.862 20 0 EHADRM CCN(Cc1cccc(NC(=O)c2cnc(C3CC3)s2)c1)C(=O)[O-] ZINC000739448286 602458870 /nfs/dbraw/zinc/45/88/70/602458870.db2.gz USDZCFUKNUKWLO-UHFFFAOYSA-N -1 0 345.424 3.773 20 0 EHADRM Cc1cccc(C)c1NC(=S)N[C@H](CNC(=O)[O-])C1CCCCC1 ZINC000740166011 602459695 /nfs/dbraw/zinc/45/96/95/602459695.db2.gz IAFNFEFTZGORJA-OAHLLOKOSA-N -1 0 349.500 3.806 20 0 EHADRM Cc1cccc(NC(=S)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)c1 ZINC000740173201 602459755 /nfs/dbraw/zinc/45/97/55/602459755.db2.gz UJGPURWZIIEZQV-UHFFFAOYSA-N -1 0 341.436 3.840 20 0 EHADRM CC(C)(C)CN(CC(F)(F)F)C(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000738698987 602462173 /nfs/dbraw/zinc/46/21/73/602462173.db2.gz WPAMYZWJSXKZOI-UHFFFAOYSA-N -1 0 346.349 3.756 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N(C)[C@@H](C)CNC(=O)[O-] ZINC000740031975 602466480 /nfs/dbraw/zinc/46/64/80/602466480.db2.gz SHZIZVCWKROBLV-NSHDSACASA-N -1 0 340.379 3.623 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N[C@@H]2CCc3ccc(F)cc32)cc1 ZINC000738666209 602470365 /nfs/dbraw/zinc/47/03/65/602470365.db2.gz UIVFFSBAUQCNCQ-OAHLLOKOSA-N -1 0 329.331 3.725 20 0 EHADRM CSc1ccc(NC(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)cn1 ZINC000740021654 602473296 /nfs/dbraw/zinc/47/32/96/602473296.db2.gz ZSRPWMWFTNWZLW-CQSZACIVSA-N -1 0 345.424 3.531 20 0 EHADRM C[C@H]1c2ccsc2CCN1C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739204649 602482389 /nfs/dbraw/zinc/48/23/89/602482389.db2.gz CKBBKOLYCDRQST-VIFPVBQESA-N -1 0 334.372 3.737 20 0 EHADRM COc1ccccc1C(C)(C)NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739956705 602488666 /nfs/dbraw/zinc/48/86/66/602488666.db2.gz VMFWULMRAICZTH-UHFFFAOYSA-N -1 0 346.358 3.589 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cc(-c3cccc(F)c3)no2)cc1 ZINC000740712482 602503225 /nfs/dbraw/zinc/50/32/25/602503225.db2.gz RFFPWJHBAWHGTP-UHFFFAOYSA-N -1 0 341.298 3.823 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])cc1F ZINC000740108318 602506780 /nfs/dbraw/zinc/50/67/80/602506780.db2.gz VLJIAEABPLGCJK-UHFFFAOYSA-N -1 0 328.343 3.817 20 0 EHADRM C[C@@H]1CCCC[C@@]1(CNC(=O)[O-])NC(=O)c1cccc(C(F)F)c1 ZINC000739098168 602509826 /nfs/dbraw/zinc/50/98/26/602509826.db2.gz IDIUBQSDYVOMBC-DIFFPNOSSA-N -1 0 340.370 3.571 20 0 EHADRM C[C@H](OC(=O)c1ccc(F)c(NC(=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000739042858 602566359 /nfs/dbraw/zinc/56/63/59/602566359.db2.gz LIZOQUXYSXFURP-VIFPVBQESA-N -1 0 343.314 3.710 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)Nc1cc(Cl)ccc1O)c1ccccc1 ZINC000740539456 602569260 /nfs/dbraw/zinc/56/92/60/602569260.db2.gz KIEXDSQEQFKRLE-ZDUSSCGKSA-N -1 0 348.786 3.773 20 0 EHADRM Cc1ccc(C)c(NC(=O)N2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)c1 ZINC000740116739 602579508 /nfs/dbraw/zinc/57/95/08/602579508.db2.gz XQBGMGGOVOQAOP-DOTOQJQBSA-N -1 0 345.443 3.690 20 0 EHADRM CC(C)c1cccc(C(C)C)c1NC(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000738875386 602596370 /nfs/dbraw/zinc/59/63/70/602596370.db2.gz HNSOTDHUEQKYNT-CYBMUJFWSA-N -1 0 333.432 3.807 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc(NC(=O)[O-])cc2C(F)(F)F)C1 ZINC000739114757 602597311 /nfs/dbraw/zinc/59/73/11/602597311.db2.gz YFNLXNVDRFGTPF-MRVPVSSYSA-N -1 0 331.294 3.669 20 0 EHADRM Cc1cc(-c2ccccc2)ccc1NC(=O)N(C)[C@@H](C)CNC(=O)[O-] ZINC000740047031 602600018 /nfs/dbraw/zinc/60/00/18/602600018.db2.gz BHBWAOZNDJRMHO-AWEZNQCLSA-N -1 0 341.411 3.782 20 0 EHADRM O=C([O-])N1CCC[C@@H](CCNC(=O)c2cccc(Cl)c2Cl)C1 ZINC000740426657 602633834 /nfs/dbraw/zinc/63/38/34/602633834.db2.gz XWPMPDPZKULEAX-JTQLQIEISA-N -1 0 345.226 3.503 20 0 EHADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000739313004 602640354 /nfs/dbraw/zinc/64/03/54/602640354.db2.gz LUSIMDHBNYYESQ-NVXWUHKLSA-N -1 0 343.427 3.658 20 0 EHADRM CC(C)N(CC(F)(F)F)C(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000738836252 602642421 /nfs/dbraw/zinc/64/24/21/602642421.db2.gz FXGYUYBTEXHZIJ-ZDUSSCGKSA-N -1 0 346.349 3.575 20 0 EHADRM O=C([O-])NCc1cccc(Oc2ncnc3cc(Cl)ccc32)c1 ZINC000740681575 602687542 /nfs/dbraw/zinc/68/75/42/602687542.db2.gz NXQIIXGTFYODOZ-UHFFFAOYSA-N -1 0 329.743 3.843 20 0 EHADRM CCN(Cc1ccccc1NC(=O)/C=C/c1cnc(C)s1)C(=O)[O-] ZINC000739445028 602698879 /nfs/dbraw/zinc/69/88/79/602698879.db2.gz RPFZLOQHBSGBNA-CMDGGOBGSA-N -1 0 345.424 3.603 20 0 EHADRM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2cc(NC(=O)[O-])ccc2F)c1 ZINC000739951984 602726412 /nfs/dbraw/zinc/72/64/12/602726412.db2.gz XLQSGQRHESMUPH-UONOGXRCSA-N -1 0 344.342 3.666 20 0 EHADRM C[C@@H](CC(=O)Oc1cccc(CNC(=O)[O-])c1)c1ccc(F)cc1 ZINC000738894873 602730394 /nfs/dbraw/zinc/73/03/94/602730394.db2.gz JCRPHJGBFPTWOW-LBPRGKRZSA-N -1 0 331.343 3.693 20 0 EHADRM CC(C)COc1ccc(CC(=O)Nc2ccccc2NC(=O)[O-])cc1 ZINC000738830555 602732729 /nfs/dbraw/zinc/73/27/29/602732729.db2.gz AWLWMDWTHAOVFF-UHFFFAOYSA-N -1 0 342.395 3.993 20 0 EHADRM CCN(Cc1ccccc1NC(=O)CO[C@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000739443943 602749968 /nfs/dbraw/zinc/74/99/68/602749968.db2.gz LHSBZSIKSZQHEL-YOEHRIQHSA-N -1 0 348.443 3.720 20 0 EHADRM O=C([O-])NC[C@H]1CCCC[C@H]1NC(=O)c1cc(Cl)ccc1Cl ZINC000740636720 602792176 /nfs/dbraw/zinc/79/21/76/602792176.db2.gz WLPXNMSSUOSWKB-NOZJJQNGSA-N -1 0 345.226 3.550 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)[C@@H](C)Cc2ccccc2F)c1 ZINC000739923374 602793038 /nfs/dbraw/zinc/79/30/38/602793038.db2.gz ZDOYBJLKUXAJDJ-NSHDSACASA-N -1 0 346.358 3.742 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(Oc2ccncc2)c(Cl)c1)NC(=O)[O-] ZINC000824693773 602794926 /nfs/dbraw/zinc/79/49/26/602794926.db2.gz CTNFFNRZJVBCJL-SNVBAGLBSA-N -1 0 349.774 3.512 20 0 EHADRM CC(C)C[C@H](NC(=O)CCC(C)(C)NC(=O)[O-])c1cccs1 ZINC000738812240 602795300 /nfs/dbraw/zinc/79/53/00/602795300.db2.gz QAEICLVKLISCHW-LBPRGKRZSA-N -1 0 326.462 3.778 20 0 EHADRM Cc1ccc(C[C@H](C)N(C)C(=O)c2ccc(NC(=O)[O-])cc2)cc1 ZINC000738270379 602815533 /nfs/dbraw/zinc/81/55/33/602815533.db2.gz QAASUJRIMQYZTQ-AWEZNQCLSA-N -1 0 326.396 3.788 20 0 EHADRM C[C@@H](CNC(=O)c1ccc(NC(=O)[O-])cc1)Oc1ccccc1Cl ZINC000736605417 602818895 /nfs/dbraw/zinc/81/88/95/602818895.db2.gz GOVZYSCXLMWYDS-NSHDSACASA-N -1 0 348.786 3.627 20 0 EHADRM C[C@H](NC(=O)c1ccc(NC(=O)[O-])cc1O)c1ccc(Cl)s1 ZINC000739024293 602846191 /nfs/dbraw/zinc/84/61/91/602846191.db2.gz QJSDTRFWCRNQET-ZETCQYMHSA-N -1 0 340.788 3.688 20 0 EHADRM C[C@H]1C[C@@H]1c1cc(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)n[nH]1 ZINC000739082439 602856119 /nfs/dbraw/zinc/85/61/19/602856119.db2.gz MKSMRDZVBBQEHI-XVKPBYJWSA-N -1 0 334.763 3.529 20 0 EHADRM CC(C)Sc1ccc(Cl)cc1NC(=O)C[C@H](C)NC(=O)[O-] ZINC000824678330 602858026 /nfs/dbraw/zinc/85/80/26/602858026.db2.gz BGTRZSLWSSZNOK-VIFPVBQESA-N -1 0 330.837 3.825 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)cc1 ZINC000738662491 602878515 /nfs/dbraw/zinc/87/85/15/602878515.db2.gz ADHZTFKDBMVLCI-RYUDHWBXSA-N -1 0 332.306 3.797 20 0 EHADRM Cc1cc2cc(C(=O)N3CCC([C@@H](C)NC(=O)[O-])CC3)oc2cc1C ZINC000830143796 602878670 /nfs/dbraw/zinc/87/86/70/602878670.db2.gz OIGFUKCKTCZHFF-CYBMUJFWSA-N -1 0 344.411 3.558 20 0 EHADRM CCCO[C@@H]1CCCN(C(=O)c2ccc(C)c(NC(=O)[O-])c2)CC1 ZINC000826934621 602890604 /nfs/dbraw/zinc/89/06/04/602890604.db2.gz GFYFHZVDXBPCNC-OAHLLOKOSA-N -1 0 334.416 3.506 20 0 EHADRM CC[C@H](C)[C@@H]1CCCCN1C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739235460 602900159 /nfs/dbraw/zinc/90/01/59/602900159.db2.gz JUSVFADNNPXRRJ-BBRMVZONSA-N -1 0 333.432 3.887 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)OCc2cnc(-c3cccs3)o2)c1 ZINC000740040346 602928842 /nfs/dbraw/zinc/92/88/42/602928842.db2.gz USJLSKOSXDOTRR-UHFFFAOYSA-N -1 0 344.348 3.850 20 0 EHADRM C[C@H](Cc1ccccc1F)c1nc(C2(NC(=O)[O-])CCCC2)no1 ZINC000738946341 602930028 /nfs/dbraw/zinc/93/00/28/602930028.db2.gz DYMRZAPLOMGHDW-LLVKDONJSA-N -1 0 333.363 3.592 20 0 EHADRM Cc1cc(C)c(NC(=O)N2C[C@@H](C)N(C(=O)[O-])[C@@H](C)C2)c(Cl)c1 ZINC000740064843 602939991 /nfs/dbraw/zinc/93/99/91/602939991.db2.gz BOXIDZUZPGUJIO-TXEJJXNPSA-N -1 0 339.823 3.561 20 0 EHADRM COc1cc(NC(=O)N2CCC[C@H]2c2ccco2)ccc1NC(=O)[O-] ZINC000739865224 602940548 /nfs/dbraw/zinc/94/05/48/602940548.db2.gz DNTMWUBKPSCOCL-ZDUSSCGKSA-N -1 0 345.355 3.747 20 0 EHADRM COCc1cccc(NC(=O)Nc2ccc(OC)c(NC(=O)[O-])c2)c1 ZINC000739843194 602943094 /nfs/dbraw/zinc/94/30/94/602943094.db2.gz NPHFPVXTDQQDOI-UHFFFAOYSA-N -1 0 345.355 3.576 20 0 EHADRM Cc1ccc(C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2F)cc1NC(=O)[O-] ZINC000830206128 602950862 /nfs/dbraw/zinc/95/08/62/602950862.db2.gz XJRYPLLWQZWDLQ-NHYWBVRUSA-N -1 0 346.333 3.649 20 0 EHADRM C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)CC(C)(C)NC(=O)[O-] ZINC000739053072 602951211 /nfs/dbraw/zinc/95/12/11/602951211.db2.gz JDRMQVRMQOZSEW-JTQLQIEISA-N -1 0 346.349 3.661 20 0 EHADRM C[C@@H](CC(=O)N(Cc1cc(F)ccc1F)c1ccccc1)NC(=O)[O-] ZINC000824557108 602953650 /nfs/dbraw/zinc/95/36/50/602953650.db2.gz CFYVTENIOMPQAG-LBPRGKRZSA-N -1 0 348.349 3.544 20 0 EHADRM C[C@H](C(=O)NC(C)(C)c1cccs1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823676764 602955455 /nfs/dbraw/zinc/95/54/55/602955455.db2.gz GMBAMTSLSXURNC-WFASDCNBSA-N -1 0 346.452 3.744 20 0 EHADRM CN(C)c1ccc([C@H]2C[C@H]2C(=O)Oc2ccc(NC(=O)[O-])cc2)cc1 ZINC000737376007 602960785 /nfs/dbraw/zinc/96/07/85/602960785.db2.gz AXFSIMGNCAMIHQ-IAGOWNOFSA-N -1 0 340.379 3.552 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)c2cnc(-c3ccco3)s2)cc1 ZINC000738668411 602961400 /nfs/dbraw/zinc/96/14/00/602961400.db2.gz IPAQGOIHNWIETM-UHFFFAOYSA-N -1 0 330.321 3.712 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)CCCn2cnc3ccccc32)cc1 ZINC000738667425 602969215 /nfs/dbraw/zinc/96/92/15/602969215.db2.gz OSEBYYMFLJXGOX-UHFFFAOYSA-N -1 0 339.351 3.512 20 0 EHADRM Cc1ccc(C(=O)NCC2(c3cccc(F)c3)CC2)cc1NC(=O)[O-] ZINC000830217399 602977597 /nfs/dbraw/zinc/97/75/97/602977597.db2.gz VXKCJDWDAKKXER-UHFFFAOYSA-N -1 0 342.370 3.686 20 0 EHADRM CC[C@H]1CN(C(=O)c2ccc(C)c(NC(=O)[O-])c2)c2ccccc2O1 ZINC000826688747 603011296 /nfs/dbraw/zinc/01/12/96/603011296.db2.gz AJOHMDBBRTUZJO-AWEZNQCLSA-N -1 0 340.379 3.903 20 0 EHADRM O=C([O-])N[C@@H](CNC(=O)c1csc2ccccc12)c1ccccc1 ZINC000740536562 603023765 /nfs/dbraw/zinc/02/37/65/603023765.db2.gz PWNPJPCALLGFRM-HNNXBMFYSA-N -1 0 340.404 3.640 20 0 EHADRM C[C@@H](CNC(=O)Nc1cc(NC(=O)[O-])ccc1F)c1ccc(F)cc1 ZINC000738918067 603032501 /nfs/dbraw/zinc/03/25/01/603032501.db2.gz GOUHGAQCFORRBM-JTQLQIEISA-N -1 0 349.337 3.980 20 0 EHADRM COc1ccc(C)cc1CNC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739890906 603035978 /nfs/dbraw/zinc/03/59/78/603035978.db2.gz JAKHHSITGIIDJK-UHFFFAOYSA-N -1 0 347.346 3.554 20 0 EHADRM CCN(Cc1ccccc1)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739446378 603038157 /nfs/dbraw/zinc/03/81/57/603038157.db2.gz YGDMAIIKKHIAAI-UHFFFAOYSA-N -1 0 331.347 3.970 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000740707655 603038795 /nfs/dbraw/zinc/03/87/95/603038795.db2.gz RZLVLWJLOPKWGX-OCCSQVGLSA-N -1 0 329.331 3.593 20 0 EHADRM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)CCC(C)(C)NC(=O)[O-])C1 ZINC000739080072 603038955 /nfs/dbraw/zinc/03/89/55/603038955.db2.gz BHGHWNRDMJLSPX-WFASDCNBSA-N -1 0 336.407 3.562 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N(Cc2ccccn2)C2CC2)c1 ZINC000740704945 603038975 /nfs/dbraw/zinc/03/89/75/603038975.db2.gz GZTVXQJXMNKUOS-UHFFFAOYSA-N -1 0 344.346 3.507 20 0 EHADRM CS[C@H](C(=O)Nc1cc(NC(=O)[O-])ccc1F)c1ccccc1 ZINC000739995855 603040440 /nfs/dbraw/zinc/04/04/40/603040440.db2.gz AVZURGGFGHBVFU-AWEZNQCLSA-N -1 0 334.372 3.958 20 0 EHADRM CC(C)OCc1ccc(C(=O)Oc2ccc(N(C)C(=O)[O-])cc2)cc1 ZINC000824405040 603042186 /nfs/dbraw/zinc/04/21/86/603042186.db2.gz QZZWDGFWXDWLJO-UHFFFAOYSA-N -1 0 343.379 3.945 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)C1CCN(C(=O)[O-])CC1 ZINC000737782626 603043333 /nfs/dbraw/zinc/04/33/33/603043333.db2.gz FDJWAGDSAMLSNR-SFHVURJKSA-N -1 0 346.471 3.555 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)[C@@H]2CCCc3ccccc32)cc1 ZINC000827901602 603047478 /nfs/dbraw/zinc/04/74/78/603047478.db2.gz YIVQUKOBHRUMJH-QGZVFWFLSA-N -1 0 325.364 3.826 20 0 EHADRM CC(C)(CC(=O)Nc1cccc(Nc2ccccc2)c1)NC(=O)[O-] ZINC000738739806 603048664 /nfs/dbraw/zinc/04/86/64/603048664.db2.gz YUZOSAAGFIRHQI-UHFFFAOYSA-N -1 0 327.384 3.805 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000829591333 603048801 /nfs/dbraw/zinc/04/88/01/603048801.db2.gz CXOFIUUQRWJSBD-UHFFFAOYSA-N -1 0 343.379 3.693 20 0 EHADRM COc1cc(NC(=O)[C@H]2CSc3ccccc32)ccc1NC(=O)[O-] ZINC000739864387 603053880 /nfs/dbraw/zinc/05/38/80/603053880.db2.gz BTLMIXQDGSAQHZ-LBPRGKRZSA-N -1 0 344.392 3.613 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)CCC(C)(C)NC(=O)[O-])C1 ZINC000825853140 603061145 /nfs/dbraw/zinc/06/11/45/603061145.db2.gz UINNDUMRXCHGTK-SWLSCSKDSA-N -1 0 336.407 3.562 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)C2CCC(NC(=O)[O-])CC2)C1 ZINC000825851318 603061301 /nfs/dbraw/zinc/06/13/01/603061301.db2.gz HMPAGWRTUNLRCV-QROZZAMVSA-N -1 0 348.418 3.562 20 0 EHADRM C[C@@H](CNC(=O)Cc1ccc(NC(=O)[O-])cc1)Sc1ccccc1 ZINC000824921628 603065111 /nfs/dbraw/zinc/06/51/11/603065111.db2.gz GPKBLJZZWSNCGJ-ZDUSSCGKSA-N -1 0 344.436 3.616 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)NC1CCC(NC(=O)[O-])CC1)c1ccccc1 ZINC000739227915 603067695 /nfs/dbraw/zinc/06/76/95/603067695.db2.gz UQROOIIPDJBMMQ-YJNKEBTESA-N -1 0 332.444 3.511 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)NC2CCC(NC(=O)[O-])CC2)cc1 ZINC000738874689 603073304 /nfs/dbraw/zinc/07/33/04/603073304.db2.gz CRKNWMLMMWABDX-NNGSBXSVSA-N -1 0 346.471 3.999 20 0 EHADRM O=C([O-])NC[C@@H](C(=O)Nc1cccc2ccccc21)c1ccccc1 ZINC000740599089 603079254 /nfs/dbraw/zinc/07/92/54/603079254.db2.gz YNZVOZWZQKZAQI-QGZVFWFLSA-N -1 0 334.375 3.830 20 0 EHADRM Cc1cc(NC(=O)CCC(C)(C)NC(=O)[O-])c2cccnc2c1C ZINC000830104115 603080781 /nfs/dbraw/zinc/08/07/81/603080781.db2.gz SUVHYSQMTMQRQX-UHFFFAOYSA-N -1 0 329.400 3.617 20 0 EHADRM O=C([O-])NC1(C(=O)Nc2cccc(CC(F)(F)F)c2)CCCCC1 ZINC000832181111 603082683 /nfs/dbraw/zinc/08/26/83/603082683.db2.gz VCIOLTUSGYRWEP-UHFFFAOYSA-N -1 0 344.333 3.700 20 0 EHADRM CC(=O)c1ccccc1C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000738599377 603092708 /nfs/dbraw/zinc/09/27/08/603092708.db2.gz BROWGNZRGKPCRY-UHFFFAOYSA-N -1 0 338.363 3.572 20 0 EHADRM Cc1ccc(NC(=O)CNc2ccc([C@H](C)NC(=O)[O-])cc2)cc1F ZINC000740135824 603103959 /nfs/dbraw/zinc/10/39/59/603103959.db2.gz OKLXEFPGLAVMQP-LBPRGKRZSA-N -1 0 345.374 3.513 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)Nc2nc(-c3ccccc3)cs2)C1 ZINC000740561541 603149427 /nfs/dbraw/zinc/14/94/27/603149427.db2.gz DEFCOQDHEZOCNF-OLZOCXBDSA-N -1 0 345.424 3.575 20 0 EHADRM Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(NC(=O)[O-])cc2)cc1F ZINC000830359116 603159229 /nfs/dbraw/zinc/15/92/29/603159229.db2.gz VKNQXILTJJNGPL-LLVKDONJSA-N -1 0 332.331 3.630 20 0 EHADRM CCOc1ccccc1OCCOc1ccc(N(C)C(=O)[O-])cc1 ZINC000827466360 603159677 /nfs/dbraw/zinc/15/96/77/603159677.db2.gz XUFAWJDDZZLSHP-UHFFFAOYSA-N -1 0 331.368 3.657 20 0 EHADRM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000738891199 603163604 /nfs/dbraw/zinc/16/36/04/603163604.db2.gz QLPHNDKLFVQBDE-ZTFGCOKTSA-N -1 0 344.455 3.640 20 0 EHADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739060207 603164573 /nfs/dbraw/zinc/16/45/73/603164573.db2.gz WELYMHWFBPHYOJ-UXIGCNINSA-N -1 0 338.835 3.686 20 0 EHADRM CSc1ccc(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)cc1 ZINC000829760403 603172079 /nfs/dbraw/zinc/17/20/79/603172079.db2.gz KUSLODYAHSTOKQ-NSHDSACASA-N -1 0 330.409 3.989 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)CCc2cccc(F)c2F)cc1 ZINC000825415282 603172533 /nfs/dbraw/zinc/17/25/33/603172533.db2.gz FBGHUTYELPRGSM-LLVKDONJSA-N -1 0 348.349 3.865 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)CCc2ccc(F)cc2)cc1 ZINC000825417756 603174560 /nfs/dbraw/zinc/17/45/60/603174560.db2.gz QVMUYUNLESWJJY-LBPRGKRZSA-N -1 0 330.359 3.726 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000825443159 603181514 /nfs/dbraw/zinc/18/15/14/603181514.db2.gz ZCEBOALARXEYJF-QMMMGPOBSA-N -1 0 338.285 3.685 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)Cn2ccc3ccccc32)cc1 ZINC000825423824 603182577 /nfs/dbraw/zinc/18/25/77/603182577.db2.gz VKLOWILKHZZCQF-ZDUSSCGKSA-N -1 0 337.379 3.609 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cc1 ZINC000825414752 603182852 /nfs/dbraw/zinc/18/28/52/603182852.db2.gz BCOMPKCQLZGZIX-LBPRGKRZSA-N -1 0 342.370 3.825 20 0 EHADRM Cc1ccc(CCC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)cc1 ZINC000830295835 603193884 /nfs/dbraw/zinc/19/38/84/603193884.db2.gz CZDBDOJHAKDJJU-AWEZNQCLSA-N -1 0 326.396 3.895 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2c(F)cc(F)cc2F)cc1 ZINC000825443167 603196438 /nfs/dbraw/zinc/19/64/38/603196438.db2.gz ZGVAMKDRMQNSFS-QMMMGPOBSA-N -1 0 338.285 3.685 20 0 EHADRM O=C([O-])N[C@H](CNc1cccc(C(F)(F)F)n1)c1ccccc1 ZINC000832139913 603201712 /nfs/dbraw/zinc/20/17/12/603201712.db2.gz DUVYIWJJTNYBTJ-LLVKDONJSA-N -1 0 325.290 3.521 20 0 EHADRM C[C@H](C(=O)NCc1cccc(Cl)c1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823705484 603216216 /nfs/dbraw/zinc/21/62/16/603216216.db2.gz WRWZDWQKRDVKFV-LRDDRELGSA-N -1 0 346.814 3.601 20 0 EHADRM CC(C)C[C@H](C(=O)N[C@H](C)[C@H]1CCCN(C(=O)[O-])C1)c1ccccc1 ZINC000738805188 603236376 /nfs/dbraw/zinc/23/63/76/603236376.db2.gz LIBFEYUMZJBLQV-NJAFHUGGSA-N -1 0 346.471 3.711 20 0 EHADRM COc1ccc(CN(C)C(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1F ZINC000829361260 603241017 /nfs/dbraw/zinc/24/10/17/603241017.db2.gz DEBAYMKYVUCMMA-UHFFFAOYSA-N -1 0 346.358 3.505 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc1 ZINC000823859156 603247034 /nfs/dbraw/zinc/24/70/34/603247034.db2.gz JEQVUWCRBQWOBD-MQVJKMGUSA-N -1 0 345.443 3.779 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)Nc2cc(F)ccc2F)cc1 ZINC000825443019 603249026 /nfs/dbraw/zinc/24/90/26/603249026.db2.gz VWUFHQGXUVONNN-SECBINFHSA-N -1 0 335.310 3.937 20 0 EHADRM Cc1ccc(F)c(NC(=O)[C@H](C)[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000830329134 603256052 /nfs/dbraw/zinc/25/60/52/603256052.db2.gz MYOJRXZGZRPMAD-MLGOLLRUSA-N -1 0 330.359 3.718 20 0 EHADRM CC[C@@H](NC(=O)c1cccc(NC(=O)[O-])c1)c1cc(F)ccc1F ZINC000736920253 603257982 /nfs/dbraw/zinc/25/79/82/603257982.db2.gz PKBUHXDCKGYEAE-OAHLLOKOSA-N -1 0 334.322 3.936 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(CNC(=O)[O-])o2)cc1C(F)(F)F ZINC000830390325 603267620 /nfs/dbraw/zinc/26/76/20/603267620.db2.gz LOBWFNPFSVKZTB-UHFFFAOYSA-N -1 0 342.273 3.627 20 0 EHADRM Cc1ccc(C(=O)NCC2(c3ccccc3)CCC2)cc1NC(=O)[O-] ZINC000830216886 603270114 /nfs/dbraw/zinc/27/01/14/603270114.db2.gz NCVFYGTVMUBCEV-UHFFFAOYSA-N -1 0 338.407 3.937 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2cccnc2Cl)c(Cl)c1 ZINC000740701268 603272397 /nfs/dbraw/zinc/27/23/97/603272397.db2.gz OPXZGZSVNOGBMF-UHFFFAOYSA-N -1 0 326.139 3.731 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)Nc2ccc(Cl)c3ncccc23)o1 ZINC000832705130 603283401 /nfs/dbraw/zinc/28/34/01/603283401.db2.gz FSAHFUWXUOAPIK-UHFFFAOYSA-N -1 0 345.742 3.501 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)Nc2ccc(Cl)nc2)cc1 ZINC000825442647 603290536 /nfs/dbraw/zinc/29/05/36/603290536.db2.gz MDGOBMIEPLAZQK-SECBINFHSA-N -1 0 334.763 3.708 20 0 EHADRM Cc1cc(C(=O)N(c2ccc(CNC(=O)[O-])cc2C)C2CC2)c(C)o1 ZINC000740054945 603296513 /nfs/dbraw/zinc/29/65/13/603296513.db2.gz WFHUFYLKBPFFNU-UHFFFAOYSA-N -1 0 342.395 3.782 20 0 EHADRM CCOc1ccccc1C(=O)N1CCCN(C(=O)[O-])c2ccccc21 ZINC000739509692 603298305 /nfs/dbraw/zinc/29/83/05/603298305.db2.gz WHPSHAQKFCXIHL-UHFFFAOYSA-N -1 0 340.379 3.620 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000829172764 603301476 /nfs/dbraw/zinc/30/14/76/603301476.db2.gz BJTDNHCAGWIWFK-NXEZZACHSA-N -1 0 340.807 3.747 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)N[C@@H]3CC[C@@H]4CCC[C@H]4C3)ccc21 ZINC000831773232 603304155 /nfs/dbraw/zinc/30/41/55/603304155.db2.gz TXJJBYZYYNFKSH-KCQAQPDRSA-N -1 0 343.427 3.817 20 0 EHADRM C[C@@H](CNC(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccc(F)cc1 ZINC000738921086 603321618 /nfs/dbraw/zinc/32/16/18/603321618.db2.gz RFDKGKQCIPCACA-LBPRGKRZSA-N -1 0 345.374 3.519 20 0 EHADRM CC(C)(NC(=O)Nc1cccc(CNC(=O)[O-])c1)c1cccs1 ZINC000738754826 603324646 /nfs/dbraw/zinc/32/46/46/603324646.db2.gz VVQSEGOZPGJESH-UHFFFAOYSA-N -1 0 333.413 3.573 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)NCc2ccc3ccccc3c2)c1 ZINC000740680744 603327768 /nfs/dbraw/zinc/32/77/68/603327768.db2.gz UFPLNNNWFQLHRL-UHFFFAOYSA-N -1 0 349.390 3.929 20 0 EHADRM CN(Cc1cccc(NC(=O)N2CCC3(C2)CCCCC3)c1)C(=O)[O-] ZINC000828375841 603340088 /nfs/dbraw/zinc/34/00/88/603340088.db2.gz VJGWBPYHQQBAPO-UHFFFAOYSA-N -1 0 345.443 3.985 20 0 EHADRM CCN(Cc1ccccc1NC(=O)NCc1ccsc1)C(=O)[O-] ZINC000739442843 603351144 /nfs/dbraw/zinc/35/11/44/603351144.db2.gz MXOONNFRWUMISI-UHFFFAOYSA-N -1 0 333.413 3.570 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N1CCCC(C)(C)C1)C(=O)[O-] ZINC000739446861 603351730 /nfs/dbraw/zinc/35/17/30/603351730.db2.gz MCRKGXQYLLSMAK-UHFFFAOYSA-N -1 0 333.432 3.840 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N1Cc2ccccc2C1)C(=O)[O-] ZINC000739446747 603353298 /nfs/dbraw/zinc/35/32/98/603353298.db2.gz KAWUNVZBVUOSBL-UHFFFAOYSA-N -1 0 339.395 3.734 20 0 EHADRM CCN(Cc1ccccc1NC(=O)NCc1cccc(F)c1)C(=O)[O-] ZINC000739443646 603354469 /nfs/dbraw/zinc/35/44/69/603354469.db2.gz QZHGDSQRHMJFFJ-UHFFFAOYSA-N -1 0 345.374 3.647 20 0 EHADRM COc1ccc(F)cc1[C@@H](C)NC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000829413817 603354604 /nfs/dbraw/zinc/35/46/04/603354604.db2.gz DOPRHSZLGHJCHC-LLVKDONJSA-N -1 0 346.358 3.724 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)Nc2ccccc2OC2CCCC2)o1 ZINC000832706522 603359369 /nfs/dbraw/zinc/35/93/69/603359369.db2.gz YXLABGLVUUSKCC-UHFFFAOYSA-N -1 0 344.367 3.621 20 0 EHADRM Cc1ccc(C(=O)NCc2ccc([C@@H]3C[C@H]3C)o2)cc1NC(=O)[O-] ZINC000830220005 603364138 /nfs/dbraw/zinc/36/41/38/603364138.db2.gz MECIYZOLTDUOFS-BXUZGUMPSA-N -1 0 328.368 3.731 20 0 EHADRM C[C@H](Cc1ccsc1)NC(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000738942473 603364293 /nfs/dbraw/zinc/36/42/93/603364293.db2.gz DNPVUNDAJFWFAY-GFCCVEGCSA-N -1 0 347.440 3.611 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)NCc2ccccc2Cl)cc1 ZINC000825434512 603374280 /nfs/dbraw/zinc/37/42/80/603374280.db2.gz UMTQFEYHAHYMBI-NSHDSACASA-N -1 0 347.802 3.990 20 0 EHADRM C[C@H](NC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1)c1cccs1 ZINC000825427644 603378786 /nfs/dbraw/zinc/37/87/86/603378786.db2.gz XUNSBXRYKPABIM-QWRGUYRKSA-N -1 0 333.413 3.959 20 0 EHADRM CC(C)C1CCN(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)CC1 ZINC000825423010 603390208 /nfs/dbraw/zinc/39/02/08/603390208.db2.gz MBUGVMCPTJQNGQ-ZDUSSCGKSA-N -1 0 333.432 3.915 20 0 EHADRM COc1cc(NC(=O)[C@@H](C)c2cccc(F)c2)ccc1NC(=O)[O-] ZINC000739869376 603397492 /nfs/dbraw/zinc/39/74/92/603397492.db2.gz XGHVKAWUHNEOCQ-JTQLQIEISA-N -1 0 332.331 3.666 20 0 EHADRM COc1ccc(-c2noc(-c3ccc(C)c(NC(=O)[O-])c3)n2)cc1 ZINC000829252112 603411196 /nfs/dbraw/zinc/41/11/96/603411196.db2.gz UZBMZGYPWVHYPO-UHFFFAOYSA-N -1 0 325.324 3.811 20 0 EHADRM C[C@@H](C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-])c1cccc(F)c1 ZINC000738632215 603412320 /nfs/dbraw/zinc/41/23/20/603412320.db2.gz RBIWENPSHIXFIY-GFCCVEGCSA-N -1 0 342.370 3.999 20 0 EHADRM O=C([O-])NC1(c2noc([C@H]3C[C@H]3c3cc(F)ccc3F)n2)CCCC1 ZINC000832228529 603416553 /nfs/dbraw/zinc/41/65/53/603416553.db2.gz RGOZRNMWADEFQJ-JQWIXIFHSA-N -1 0 349.337 3.656 20 0 EHADRM C[C@@H](c1nc(-c2cccc(F)c2)no1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000825644553 603418462 /nfs/dbraw/zinc/41/84/62/603418462.db2.gz GSPCXPOTZOQZFT-ABAIWWIYSA-N -1 0 341.342 3.988 20 0 EHADRM CCc1ccc(-c2noc([C@H](CNC(=O)[O-])c3ccccc3)n2)cc1 ZINC000827568517 603420352 /nfs/dbraw/zinc/42/03/52/603420352.db2.gz CXJBTPARYMMRJO-MRXNPFEDSA-N -1 0 337.379 3.699 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc([C@H]2C[C@@]23CCCc2ccccc23)n1 ZINC000824901266 603421725 /nfs/dbraw/zinc/42/17/25/603421725.db2.gz GHNOTSIPEMDKFZ-KPAZRMRSSA-N -1 0 341.411 3.545 20 0 EHADRM C[C@@H]1CCCC[C@@H]1OCC(=O)N1CCCN(C(=O)[O-])c2ccccc21 ZINC000739103365 603430023 /nfs/dbraw/zinc/43/00/23/603430023.db2.gz ZPNZXOWKZAZZRM-PBHICJAKSA-N -1 0 346.427 3.503 20 0 EHADRM O=C([O-])N[C@H]1CC[C@H](C(=O)Nc2ccc(Nc3ccccc3)cc2)C1 ZINC000832288787 603435976 /nfs/dbraw/zinc/43/59/76/603435976.db2.gz WETSAWMUSUAOSP-GUYCJALGSA-N -1 0 339.395 3.805 20 0 EHADRM C[C@H](OC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1)c1ccc(F)cc1Cl ZINC000829821659 603437780 /nfs/dbraw/zinc/43/77/80/603437780.db2.gz VOVLXQXDGVZICY-QXEWZRGKSA-N -1 0 329.755 3.520 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc1F ZINC000830252681 603445148 /nfs/dbraw/zinc/44/51/48/603445148.db2.gz ZTULNGZYYZNWCE-WPXLMEDKSA-N -1 0 348.418 3.622 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N(C)C1CCC(NC(=O)[O-])CC1 ZINC000829839482 603475778 /nfs/dbraw/zinc/47/57/78/603475778.db2.gz JDYXXPHQFHRQLY-UHFFFAOYSA-N -1 0 344.411 3.700 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000829867770 603477263 /nfs/dbraw/zinc/47/72/63/603477263.db2.gz SEICAAASFPVCHU-DZGCQCFKSA-N -1 0 348.443 3.685 20 0 EHADRM Cc1ccc(CCCCC(=O)N(C)C2CCC(NC(=O)[O-])CC2)cc1 ZINC000830296886 603484341 /nfs/dbraw/zinc/48/43/41/603484341.db2.gz RBVSGSJNJPELDV-UHFFFAOYSA-N -1 0 346.471 3.745 20 0 EHADRM O=C([O-])N1CCCN(C(=O)c2cccc3[nH]ccc32)c2ccccc21 ZINC000832015747 603498059 /nfs/dbraw/zinc/49/80/59/603498059.db2.gz YCCMMWFIJGUCCB-UHFFFAOYSA-N -1 0 335.363 3.703 20 0 EHADRM COc1cccc([C@@H](C)OC(=O)Cc2ccc(NC(=O)[O-])cc2)c1 ZINC000829544442 603521605 /nfs/dbraw/zinc/52/16/05/603521605.db2.gz VVBOJOFVUZLZFK-GFCCVEGCSA-N -1 0 329.352 3.632 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)Nc2ccc3nc(C4CC4)sc3c2)C1 ZINC000832284282 603532538 /nfs/dbraw/zinc/53/25/38/603532538.db2.gz BFSZPAPFAVCCCN-WDEREUQCSA-N -1 0 345.424 3.549 20 0 EHADRM CCN(C(=O)c1cc(Cl)c(NC(=O)[O-])cc1OC)[C@@H](C)C(C)C ZINC000826980273 603532644 /nfs/dbraw/zinc/53/26/44/603532644.db2.gz SNIPVQJKVRXUIO-JTQLQIEISA-N -1 0 342.823 3.945 20 0 EHADRM Cc1cncc(C(=O)Nc2ccc(NC(=O)[O-])cc2C(F)(F)F)c1 ZINC000830634109 603536982 /nfs/dbraw/zinc/53/69/82/603536982.db2.gz JQBCUIBAYODHSZ-UHFFFAOYSA-N -1 0 339.273 3.751 20 0 EHADRM C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC([C@H]2CCCN2C(=O)[O-])CC1 ZINC000825646090 603538475 /nfs/dbraw/zinc/53/84/75/603538475.db2.gz YMLRNBOBIKRESP-DZGCQCFKSA-N -1 0 349.475 3.888 20 0 EHADRM CC(C)N(C)c1ccc(NCc2ccc(NC(=O)[O-])nc2)cc1F ZINC000824329628 603540592 /nfs/dbraw/zinc/54/05/92/603540592.db2.gz HZNIVIYPAJECEH-UHFFFAOYSA-N -1 0 332.379 3.767 20 0 EHADRM Cc1cc(C)c(NC(=O)N(C)CC(C)(C)CNC(=O)[O-])c(Cl)c1 ZINC000829991191 603550235 /nfs/dbraw/zinc/55/02/35/603550235.db2.gz PGJQXBDGDLQMRJ-UHFFFAOYSA-N -1 0 341.839 3.714 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@H](C(=O)Nc2cccc(NC3CCCC3)c2)C1 ZINC000832325106 603586715 /nfs/dbraw/zinc/58/67/15/603586715.db2.gz KCSOVKFXMSZCSX-ZFWWWQNUSA-N -1 0 345.443 3.806 20 0 EHADRM Cc1cccc(NC(=O)N2CCC([C@@H](C)NC(=O)[O-])CC2)c1Cl ZINC000830516746 603609286 /nfs/dbraw/zinc/60/92/86/603609286.db2.gz LFDDBGVQABOVGD-LLVKDONJSA-N -1 0 339.823 3.548 20 0 EHADRM CCCN(C(=O)CC1CN(C(=O)[O-])C1)[C@H](C)c1cc2ccccc2o1 ZINC000826856849 603689880 /nfs/dbraw/zinc/68/98/80/603689880.db2.gz GYDDCYLUZVYNDD-CYBMUJFWSA-N -1 0 344.411 3.732 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc(-c2ccc3ccc(Cl)cc3n2)n1 ZINC000824901554 603729696 /nfs/dbraw/zinc/72/96/96/603729696.db2.gz GTMACFQKRGGEOV-SECBINFHSA-N -1 0 346.774 3.652 20 0 EHADRM CCN(CC1CCN(C(=O)C[C@@H](C)CC(C)(C)C)CC1)C(=O)[O-] ZINC000827059499 603751593 /nfs/dbraw/zinc/75/15/93/603751593.db2.gz OAKXKHUWNITDBQ-CQSZACIVSA-N -1 0 326.481 3.687 20 0 EHADRM Cc1c(F)cccc1NC(=O)[C@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000829871499 603776559 /nfs/dbraw/zinc/77/65/59/603776559.db2.gz BEDJLJWNDAQQOY-WBMJQRKESA-N -1 0 330.359 3.718 20 0 EHADRM C[C@H](C(=O)Nc1ccc(NC(=O)[O-])nc1)c1ccc(Cl)s1 ZINC000823713385 603915247 /nfs/dbraw/zinc/91/52/47/603915247.db2.gz NOWCOACDLAPPKV-ZETCQYMHSA-N -1 0 325.777 3.629 20 0 EHADRM CCN(CC1CCN(C(=O)C/C=C/c2ccc(C)cc2)CC1)C(=O)[O-] ZINC000827059119 603923454 /nfs/dbraw/zinc/92/34/54/603923454.db2.gz GKQLVTXAUPBBCL-SNAWJCMRSA-N -1 0 344.455 3.637 20 0 EHADRM Cn1cccc1[C@H]1CCCCN1C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000831026653 603929355 /nfs/dbraw/zinc/92/93/55/603929355.db2.gz IYVUDBMXRRKMCK-MRXNPFEDSA-N -1 0 345.374 3.622 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)CCc1cccc(F)c1F ZINC000831436429 603955024 /nfs/dbraw/zinc/95/50/24/603955024.db2.gz LCBLRWKEYGKYLM-UHFFFAOYSA-N -1 0 346.333 3.577 20 0 EHADRM Cc1ccc(C(=O)O[C@@H](C)C(=O)c2ccccc2)cc1NC(=O)[O-] ZINC000830237733 603955529 /nfs/dbraw/zinc/95/55/29/603955529.db2.gz LUJREZGVOSJRLV-LBPRGKRZSA-N -1 0 327.336 3.513 20 0 EHADRM CCCc1nc(COC(=O)c2ccc(C)c(NC(=O)[O-])c2)cs1 ZINC000826953377 603956313 /nfs/dbraw/zinc/95/63/13/603956313.db2.gz HWUXQVLOKBNBBK-UHFFFAOYSA-N -1 0 334.397 3.851 20 0 EHADRM C[C@@H]1CCN(C(=O)CCC(C)(C)NC(=O)[O-])[C@H]1c1cccc(F)c1 ZINC000825939371 603963241 /nfs/dbraw/zinc/96/32/41/603963241.db2.gz UKXPOBYBFKTFED-MLGOLLRUSA-N -1 0 336.407 3.562 20 0 EHADRM Cc1c(COc2ccccc2)cccc1NC(=O)C[C@@H](C)NC(=O)[O-] ZINC000829866519 603965947 /nfs/dbraw/zinc/96/59/47/603965947.db2.gz AENNJHVMSSXMLF-CYBMUJFWSA-N -1 0 342.395 3.559 20 0 EHADRM CS[C@@H]1CCC[C@H](NC(=O)Nc2cccc3c2CCN3C(=O)[O-])C1 ZINC000829710477 603995100 /nfs/dbraw/zinc/99/51/00/603995100.db2.gz NFLSSOWNCUZGID-NWDGAFQWSA-N -1 0 349.456 3.523 20 0 EHADRM CN(C(=O)N[C@@H](c1ccccc1)C(C)(C)C)C1CCN(C(=O)[O-])CC1 ZINC000827786394 604026241 /nfs/dbraw/zinc/02/62/41/604026241.db2.gz PECUZLMJQSCQBS-INIZCTEOSA-N -1 0 347.459 3.558 20 0 EHADRM Cc1ccc(NC(=O)[O-])c(OCc2nc([C@@H](C)OCC(C)C)no2)c1 ZINC000830390396 604049035 /nfs/dbraw/zinc/04/90/35/604049035.db2.gz PPTXEBUHYJJEDI-GFCCVEGCSA-N -1 0 349.387 3.781 20 0 EHADRM CCCc1ccccc1NC(=O)N1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000826954290 604071785 /nfs/dbraw/zinc/07/17/85/604071785.db2.gz PNWFCZRLQYEJRO-ZFWWWQNUSA-N -1 0 333.432 3.539 20 0 EHADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)Nc2cccc(C(F)F)c2)C1 ZINC000825236032 604081660 /nfs/dbraw/zinc/08/16/60/604081660.db2.gz KGRZGPMVXLJKFP-ZYHUDNBSSA-N -1 0 341.358 3.524 20 0 EHADRM CN(C[C@H]1CCCN1Cc1coc(-c2cccc(Cl)c2)n1)C(=O)[O-] ZINC000828231077 604102490 /nfs/dbraw/zinc/10/24/90/604102490.db2.gz XRRQPALNQNAOOR-OAHLLOKOSA-N -1 0 349.818 3.569 20 0 EHADRM CN(C[C@@H]1CCCN1Cc1coc(-c2cccc(Cl)c2)n1)C(=O)[O-] ZINC000828231076 604102906 /nfs/dbraw/zinc/10/29/06/604102906.db2.gz XRRQPALNQNAOOR-HNNXBMFYSA-N -1 0 349.818 3.569 20 0 EHADRM CC[C@]1(C)CCN(C(=O)c2cc(Cl)c(NC(=O)[O-])cc2OC)C1 ZINC000826645751 604108587 /nfs/dbraw/zinc/10/85/87/604108587.db2.gz SWZRVBFWGJMEFG-MRXNPFEDSA-N -1 0 340.807 3.701 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NCc2noc(-c3ccccc3)n2)cc1 ZINC000825448288 604130341 /nfs/dbraw/zinc/13/03/41/604130341.db2.gz CCHZDHSGBJQGDI-GFCCVEGCSA-N -1 0 338.367 3.677 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N1CCC[C@H]2CCC[C@@H]21)C(=O)[O-] ZINC000827187220 604137580 /nfs/dbraw/zinc/13/75/80/604137580.db2.gz UDYYVHJJEKDOTI-PBHICJAKSA-N -1 0 345.443 3.983 20 0 EHADRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)c2ccc(Cl)cc2Cl)C1 ZINC000825242961 604150157 /nfs/dbraw/zinc/15/01/57/604150157.db2.gz BTKOZVLAQVHATI-ZJUUUORDSA-N -1 0 345.226 3.502 20 0 EHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)CC2(NC(=O)[O-])CCC2)o1 ZINC000830282358 604186803 /nfs/dbraw/zinc/18/68/03/604186803.db2.gz QDVPQLRRJHDCFZ-AWEZNQCLSA-N -1 0 334.416 3.612 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)Oc2ccccc2SC(F)(F)F)C1 ZINC000832312638 604248121 /nfs/dbraw/zinc/24/81/21/604248121.db2.gz INYXKTWERCMOQD-DTWKUNHWSA-N -1 0 349.330 3.640 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)C[C@@H]2CCc3ccccc32)cc1 ZINC000740016140 604254618 /nfs/dbraw/zinc/25/46/18/604254618.db2.gz DABNYISAYCFTIX-INIZCTEOSA-N -1 0 338.407 3.555 20 0 EHADRM CC(C)[C@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccc(F)cc1 ZINC000826710948 604271955 /nfs/dbraw/zinc/27/19/55/604271955.db2.gz SUXNAZCPGSIENY-INIZCTEOSA-N -1 0 333.334 3.790 20 0 EHADRM CC(=O)c1cccc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000825960563 604293742 /nfs/dbraw/zinc/29/37/42/604293742.db2.gz LPDGSUJKWYTHGY-UHFFFAOYSA-N -1 0 325.364 3.504 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2scnc2-c2ccccc2)cc1F ZINC000833163164 604305468 /nfs/dbraw/zinc/30/54/68/604305468.db2.gz NYCYZAAYGNMZBN-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000827212549 604311213 /nfs/dbraw/zinc/31/12/13/604311213.db2.gz FFYMAFKVIZBHAX-ZDUSSCGKSA-N -1 0 341.382 3.965 20 0 EHADRM C[C@H](CC(=O)N([C@@H](C)c1ccco1)C1CC1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824558895 604316959 /nfs/dbraw/zinc/31/69/59/604316959.db2.gz YUZZRWAQLRXXKE-ILXRZTDVSA-N -1 0 348.443 3.748 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)C[C@H](C)[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000828828796 604329990 /nfs/dbraw/zinc/32/99/90/604329990.db2.gz BZBMQAGXZVJKOT-SQWLQELKSA-N -1 0 348.443 3.749 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N2CCC(C(F)F)CC2)cc1 ZINC000307861820 604347391 /nfs/dbraw/zinc/34/73/91/604347391.db2.gz WBIWWQSAAFFJOG-UHFFFAOYSA-N -1 0 340.370 3.558 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000826103216 604376702 /nfs/dbraw/zinc/37/67/02/604376702.db2.gz OESKGWGRMKXKAS-OAHLLOKOSA-N -1 0 331.799 3.922 20 0 EHADRM CC(=O)c1cccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)c1 ZINC000825959927 604377569 /nfs/dbraw/zinc/37/75/69/604377569.db2.gz DFUCVGOXQSIWKK-UHFFFAOYSA-N -1 0 343.404 3.780 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)[C@@H]1CCc2ccccc21)c1ccccc1 ZINC000826090613 604377985 /nfs/dbraw/zinc/37/79/85/604377985.db2.gz VCRWYMUXRQGCHL-MSOLQXFVSA-N -1 0 337.419 3.685 20 0 EHADRM C[C@@H](C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])c1ccccc1F ZINC000825996304 604382172 /nfs/dbraw/zinc/38/21/72/604382172.db2.gz YKUDEXIKGNENTG-DYVFJYSZSA-N -1 0 343.398 3.898 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)Cc1cccc(Cl)c1)c1ccccc1 ZINC000826089411 604382297 /nfs/dbraw/zinc/38/22/97/604382297.db2.gz KWDBMKWIUNJVPS-QGZVFWFLSA-N -1 0 345.826 3.851 20 0 EHADRM CC(C)C[C@@H](C)n1nccc1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000826763723 604386017 /nfs/dbraw/zinc/38/60/17/604386017.db2.gz GZYLAOVGRNUFQF-LLVKDONJSA-N -1 0 333.363 3.580 20 0 EHADRM Cc1cc([C@H](C)N(C)Cc2nc3c(s2)CCCC3)oc1C(=O)[O-] ZINC000832870882 604386740 /nfs/dbraw/zinc/38/67/40/604386740.db2.gz NOHMACPEYZNZNT-NSHDSACASA-N -1 0 334.441 3.815 20 0 EHADRM Cc1ccc(F)c2c1N(C(=O)c1ccc(C(=O)[O-])c(F)c1)CCC2 ZINC000832935071 604390408 /nfs/dbraw/zinc/39/04/08/604390408.db2.gz VPTODVSFHISDMQ-UHFFFAOYSA-N -1 0 331.318 3.564 20 0 EHADRM CSc1ccc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])o1 ZINC000832774467 604390580 /nfs/dbraw/zinc/39/05/80/604390580.db2.gz LQZJJURYMVYJSI-CQSZACIVSA-N -1 0 333.409 3.583 20 0 EHADRM O=C([O-])c1cccc(-c2nc(C[S@](=O)c3cccs3)cs2)c1 ZINC000833326701 604398223 /nfs/dbraw/zinc/39/82/23/604398223.db2.gz UADUSHSWUYXZRH-QFIPXVFZSA-N -1 0 349.458 3.878 20 0 EHADRM C[C@@H](CCSc1ccccc1)OC(=O)c1ccc(C(=O)[O-])cn1 ZINC000827422071 604423664 /nfs/dbraw/zinc/42/36/64/604423664.db2.gz JSJMHVOXRHLIFC-LBPRGKRZSA-N -1 0 331.393 3.508 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cc(F)ccc1C ZINC000829026692 604428063 /nfs/dbraw/zinc/42/80/63/604428063.db2.gz KZOKAOQPHZBPII-KRWDZBQOSA-N -1 0 329.371 3.812 20 0 EHADRM CCCc1c(C(=O)Nc2cnc(Cl)cc2C)[nH]c(C)c1C(=O)[O-] ZINC000829562749 604428965 /nfs/dbraw/zinc/42/89/65/604428965.db2.gz UVNDOSUJEZUERY-UHFFFAOYSA-N -1 0 335.791 3.583 20 0 EHADRM Cc1ccc(CNC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])s1 ZINC000832931723 604460954 /nfs/dbraw/zinc/46/09/54/604460954.db2.gz LAJYWTQHLCAWQP-OAHLLOKOSA-N -1 0 346.452 3.708 20 0 EHADRM CC(C)(C)O[C@@H](C(=O)O[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000833446410 604470838 /nfs/dbraw/zinc/47/08/38/604470838.db2.gz ZQAGGOIEGWCTFC-IAGOWNOFSA-N -1 0 342.391 3.912 20 0 EHADRM CC(C)(C)O[C@H](C(=O)O[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000833446412 604471000 /nfs/dbraw/zinc/47/10/00/604471000.db2.gz ZQAGGOIEGWCTFC-SJORKVTESA-N -1 0 342.391 3.912 20 0 EHADRM CC(C)(C)[C@@H](OC(=O)CCc1ccccc1C(=O)[O-])C(F)(F)F ZINC000833425746 604474025 /nfs/dbraw/zinc/47/40/25/604474025.db2.gz GEAREEQUXDQCOK-CQSZACIVSA-N -1 0 332.318 3.838 20 0 EHADRM Cc1nc(C(C)(C)NC(=O)Nc2cc(C(=O)[O-])cs2)sc1C ZINC000832994290 604485913 /nfs/dbraw/zinc/48/59/13/604485913.db2.gz PJTIUHYZPKYMIX-UHFFFAOYSA-N -1 0 339.442 3.576 20 0 EHADRM O=C([O-])c1csc(NC(=O)N2CCC[C@H](Cc3ccccc3)C2)c1 ZINC000833342067 604499210 /nfs/dbraw/zinc/49/92/10/604499210.db2.gz FEINRDWQEOZTBV-CQSZACIVSA-N -1 0 344.436 3.933 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)NCCCCCCCC(=O)[O-])n1 ZINC000832968743 604510507 /nfs/dbraw/zinc/51/05/07/604510507.db2.gz RUIJVWVOROWGRV-KRWDZBQOSA-N -1 0 347.459 3.662 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(C)c2Cl)cc1 ZINC000683297566 604522181 /nfs/dbraw/zinc/52/21/81/604522181.db2.gz RYXURFLIGPLHSD-OAHLLOKOSA-N -1 0 347.798 3.603 20 0 EHADRM CCN(Cc1ccoc1)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000829734459 604525018 /nfs/dbraw/zinc/52/50/18/604525018.db2.gz BRCWXMDKHOIMTC-INIZCTEOSA-N -1 0 344.411 3.663 20 0 EHADRM Cc1ccc(C)c(NC(=O)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)c1 ZINC000830274263 604525491 /nfs/dbraw/zinc/52/54/91/604525491.db2.gz HBSZIWUXLYHUDR-CQSZACIVSA-N -1 0 341.411 3.954 20 0 EHADRM Cc1cccc(C)c1NC(=O)NCc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000830489389 604527376 /nfs/dbraw/zinc/52/73/76/604527376.db2.gz VXZBGGPGIHWQFQ-CQSZACIVSA-N -1 0 341.411 3.954 20 0 EHADRM CCCN(CC1CC1)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000829487147 604532458 /nfs/dbraw/zinc/53/24/58/604532458.db2.gz WOEIQKDMWRORIB-INIZCTEOSA-N -1 0 332.444 3.670 20 0 EHADRM CC(C)(C)Oc1cccc(COC(=O)c2cccc(NC(=O)[O-])c2)n1 ZINC000833446579 604551568 /nfs/dbraw/zinc/55/15/68/604551568.db2.gz BPZURSUGXPDSGA-UHFFFAOYSA-N -1 0 344.367 3.706 20 0 EHADRM CC(C)[C@H](C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21)c1ccc(F)cc1 ZINC000833466949 604556264 /nfs/dbraw/zinc/55/62/64/604556264.db2.gz PNPIEKIIQFGQLP-AEFFLSMTSA-N -1 0 341.382 3.780 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2cn(C)c3ccccc23)oc1C(=O)[O-] ZINC000832876896 604557508 /nfs/dbraw/zinc/55/75/08/604557508.db2.gz VRVIYCIHWVYYCZ-NSHDSACASA-N -1 0 327.336 3.696 20 0 EHADRM Cc1cc([C@H](C)OC(=O)[C@@H](C)Oc2ccc(C)cc2)oc1C(=O)[O-] ZINC000832953105 604559455 /nfs/dbraw/zinc/55/94/55/604559455.db2.gz MIZKODUMRIXFIY-QWHCGFSZSA-N -1 0 332.352 3.666 20 0 EHADRM CC(C)(C(=O)N1CCC[C@H]1CC(=O)[O-])c1ccc2ccccc2c1 ZINC000826080828 604559584 /nfs/dbraw/zinc/55/95/84/604559584.db2.gz GYQORIMSRRCJPU-KRWDZBQOSA-N -1 0 325.408 3.583 20 0 EHADRM CC1(C)C[C@H](NC(=O)NCCCCCCC(=O)[O-])c2ccccc21 ZINC000828056371 604572718 /nfs/dbraw/zinc/57/27/18/604572718.db2.gz SIYKIXRBSGONLP-INIZCTEOSA-N -1 0 332.444 3.743 20 0 EHADRM C[C@@H]1[C@@H](C)CCCN1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000833614188 604581399 /nfs/dbraw/zinc/58/13/99/604581399.db2.gz KULLYOUTSBSGIJ-UONOGXRCSA-N -1 0 345.443 3.637 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000262819718 604584670 /nfs/dbraw/zinc/58/46/70/604584670.db2.gz AKWHAEUPGFBWTP-ZWNOBZJWSA-N -1 0 344.238 3.638 20 0 EHADRM CC(C)(C(=O)NCCc1cccc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC000262104636 604585555 /nfs/dbraw/zinc/58/55/55/604585555.db2.gz DWDDWNXOMJZTQB-UHFFFAOYSA-N -1 0 345.826 3.675 20 0 EHADRM C[C@H]1CCCN(C(=O)Nc2cccc(SCCC(=O)[O-])c2)[C@H]1C ZINC000833615020 604590249 /nfs/dbraw/zinc/59/02/49/604590249.db2.gz ZAUJSIJCWFGJLQ-STQMWFEESA-N -1 0 336.457 3.906 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000262968374 604591494 /nfs/dbraw/zinc/59/14/94/604591494.db2.gz OLZKTRLNXZFOIX-HNNXBMFYSA-N -1 0 345.345 3.711 20 0 EHADRM CC1(C)CCCN(C(=O)Nc2cccc(SCCC(=O)[O-])c2)C1 ZINC000833560283 604602396 /nfs/dbraw/zinc/60/23/96/604602396.db2.gz LEKXPPBIYLOKER-UHFFFAOYSA-N -1 0 336.457 3.907 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2ccn(C3CCCC3)n2)oc1C(=O)[O-] ZINC000832875744 604602485 /nfs/dbraw/zinc/60/24/85/604602485.db2.gz OSKHODPOKMUEIE-NSHDSACASA-N -1 0 332.356 3.516 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)N2CCC[C@@H]2CC(=O)[O-])c1 ZINC000826861398 604622557 /nfs/dbraw/zinc/62/25/57/604622557.db2.gz SEDXNEIGOJJADM-OAHLLOKOSA-N -1 0 334.416 3.583 20 0 EHADRM CC1(C)C[C@@H](NC(=O)NCc2cccc(C(=O)[O-])c2)c2ccccc21 ZINC000828055309 604625942 /nfs/dbraw/zinc/62/59/42/604625942.db2.gz AMBFRDYBTCLHNP-QGZVFWFLSA-N -1 0 338.407 3.607 20 0 EHADRM CCC(CC)n1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)[O-])n1 ZINC000828870269 604628638 /nfs/dbraw/zinc/62/86/38/604628638.db2.gz MBOMDQJHPHCKTO-UHFFFAOYSA-N -1 0 335.429 3.873 20 0 EHADRM O=C([O-])c1cccc(NC2CCN(c3ccncc3Cl)CC2)c1 ZINC000629381282 604640242 /nfs/dbraw/zinc/64/02/42/604640242.db2.gz IAICBVYCGFVPRE-UHFFFAOYSA-N -1 0 331.803 3.514 20 0 EHADRM O=C([O-])Nc1ccc(NCc2cnc(-c3ccncc3)s2)cc1 ZINC000833289388 604644991 /nfs/dbraw/zinc/64/49/91/604644991.db2.gz GFZFACICFVVKNY-UHFFFAOYSA-N -1 0 326.381 3.907 20 0 EHADRM Cc1sc(NC(=O)N2CC=C(C(F)(F)F)CC2)c(C(=O)[O-])c1C ZINC000323324832 604657549 /nfs/dbraw/zinc/65/75/49/604657549.db2.gz UQBCCJNAHKCFBV-UHFFFAOYSA-N -1 0 348.346 3.789 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@@H]1CC(=O)[O-])c1cccc2ccccc21 ZINC000827653315 604672730 /nfs/dbraw/zinc/67/27/30/604672730.db2.gz NLNCPWRSZTWJKJ-DZGCQCFKSA-N -1 0 326.396 3.550 20 0 EHADRM C[C@@H](CC(=O)N(C)[C@H]1CCc2ccccc21)C1CCN(C(=O)[O-])CC1 ZINC000824553441 604677261 /nfs/dbraw/zinc/67/72/61/604677261.db2.gz ZFXCGFJQWZNVGH-KSSFIOAISA-N -1 0 344.455 3.549 20 0 EHADRM CC[C@H](NC(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccc(Cl)s1 ZINC000828944067 604685847 /nfs/dbraw/zinc/68/58/47/604685847.db2.gz VCYAAZTXOBNYNP-ZJUUUORDSA-N -1 0 330.837 3.501 20 0 EHADRM CCc1cc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)oc1CC ZINC000192896917 604689252 /nfs/dbraw/zinc/68/92/52/604689252.db2.gz XICXOKPXTDYKNR-UHFFFAOYSA-N -1 0 345.395 3.900 20 0 EHADRM CCc1cc(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)oc1CC ZINC000830213750 604693834 /nfs/dbraw/zinc/69/38/34/604693834.db2.gz CWYVPPSRJIYMEI-UHFFFAOYSA-N -1 0 330.384 3.767 20 0 EHADRM CCCCOc1ccc(C(=O)Nc2nc(CCC(=O)[O-])cs2)cc1 ZINC000829422459 604720624 /nfs/dbraw/zinc/72/06/24/604720624.db2.gz XAMSJFHSTXLRDA-UHFFFAOYSA-N -1 0 348.424 3.592 20 0 EHADRM O=C([O-])c1cccc(-c2csc(CC(=O)Nc3ccccc3)n2)c1 ZINC000833765493 604743826 /nfs/dbraw/zinc/74/38/26/604743826.db2.gz QHOQFVONEGJNSM-UHFFFAOYSA-N -1 0 338.388 3.690 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1ccccc1CCC(F)(F)F)C(=O)[O-] ZINC000263517611 604760532 /nfs/dbraw/zinc/76/05/32/604760532.db2.gz FNOGAJWTBTVIAL-CYBMUJFWSA-N -1 0 345.361 3.658 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)/C=C\c2ccc(Cl)nc2)cc1 ZINC000833418310 604761506 /nfs/dbraw/zinc/76/15/06/604761506.db2.gz GNQADQMBQOWBBR-WMZJFQQLSA-N -1 0 344.798 3.749 20 0 EHADRM COc1ccc(-c2noc([C@@H](C)Oc3ccc(C(=O)[O-])cc3)n2)cc1 ZINC000832134213 604772904 /nfs/dbraw/zinc/77/29/04/604772904.db2.gz NQRBOTBCZAJXOY-LLVKDONJSA-N -1 0 340.335 3.583 20 0 EHADRM CC(C)OC(=O)NCc1ccc(NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000496896481 604776705 /nfs/dbraw/zinc/77/67/05/604776705.db2.gz YWCQCFPDFQBHMN-UHFFFAOYSA-N -1 0 342.395 3.632 20 0 EHADRM N#Cc1cc(C(F)(F)F)ccc1NC[C@H](C(=O)[O-])c1ccccc1 ZINC000324988977 604799692 /nfs/dbraw/zinc/79/96/92/604799692.db2.gz UUHATGYVNDRKAF-AWEZNQCLSA-N -1 0 334.297 3.857 20 0 EHADRM CC(C)c1csc(NC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)n1 ZINC000392010364 604800489 /nfs/dbraw/zinc/80/04/89/604800489.db2.gz DYIVBECFJSHZBO-UHFFFAOYSA-N -1 0 345.424 3.555 20 0 EHADRM CC(C)Oc1cccc([C@@H](C)NC(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000827058685 604809675 /nfs/dbraw/zinc/80/96/75/604809675.db2.gz RNOSEVDCXPEWIQ-GFCCVEGCSA-N -1 0 345.370 3.802 20 0 EHADRM CC(C)OCc1ccc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000827033323 604814203 /nfs/dbraw/zinc/81/42/03/604814203.db2.gz HDCHCWVSCOLSSN-UHFFFAOYSA-N -1 0 331.343 3.701 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2ccc(F)c(Cl)c2)ccc1F ZINC000833281958 604820673 /nfs/dbraw/zinc/82/06/73/604820673.db2.gz AMDDEQJGLVNGQW-UHFFFAOYSA-N -1 0 326.686 3.960 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)c2ccc(C(=O)[O-])c(F)c2)c(C)c1 ZINC000832928863 604822036 /nfs/dbraw/zinc/82/20/36/604822036.db2.gz LBQOHNBTSPKHOP-CYBMUJFWSA-N -1 0 329.371 3.502 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC000832982269 604824753 /nfs/dbraw/zinc/82/47/53/604824753.db2.gz QVTBSMXYIWCIMZ-UKRRQHHQSA-N -1 0 341.382 3.851 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)c1c(F)cccc1Cl ZINC000827694635 604827824 /nfs/dbraw/zinc/82/78/24/604827824.db2.gz HTVNJHKZUGHJGF-QMMMGPOBSA-N -1 0 339.725 3.807 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc([C@H](C)Sc2ccccn2)n1 ZINC000824219401 604829298 /nfs/dbraw/zinc/82/92/98/604829298.db2.gz SIPCDEUULANDMZ-WDEREUQCSA-N -1 0 336.417 3.673 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)[C@H]1CCCc2sccc21 ZINC000683296734 604839129 /nfs/dbraw/zinc/83/91/29/604839129.db2.gz GAQSJNPHHSGXCL-INIZCTEOSA-N -1 0 343.448 3.672 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)[C@@H]1CCCc2sccc21 ZINC000325886385 604839447 /nfs/dbraw/zinc/83/94/47/604839447.db2.gz QCWUGLVDXLUATR-CQSZACIVSA-N -1 0 341.432 3.846 20 0 EHADRM Cc1ccc2cc(C(=O)OCc3ccc(C(=O)[O-])c(F)c3)ccc2n1 ZINC000832961967 604844650 /nfs/dbraw/zinc/84/46/50/604844650.db2.gz LASMPQXGKLAKQG-UHFFFAOYSA-N -1 0 339.322 3.738 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)[C@H]2CCCc3sccc32)cc1 ZINC000830508024 604859508 /nfs/dbraw/zinc/85/95/08/604859508.db2.gz RHMFIKKFHNHNBU-AWEZNQCLSA-N -1 0 330.409 3.921 20 0 EHADRM CC(C)(NC(=O)[O-])C(=O)OCc1ccc(Oc2ccccc2)c(F)c1 ZINC000826627216 604864039 /nfs/dbraw/zinc/86/40/39/604864039.db2.gz LMDCLLAXWDPFRX-UHFFFAOYSA-N -1 0 347.342 3.707 20 0 EHADRM COc1cc2ccccc2cc1C(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC000833730395 604867544 /nfs/dbraw/zinc/86/75/44/604867544.db2.gz XVPLDMYQRQEDCP-UHFFFAOYSA-N -1 0 341.407 3.708 20 0 EHADRM CC(C)(CC(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1)c1ccccc1 ZINC000833451671 604868424 /nfs/dbraw/zinc/86/84/24/604868424.db2.gz VLNCGOCYJMNUKM-UHFFFAOYSA-N -1 0 337.379 3.568 20 0 EHADRM CN(C(=O)c1ccccc1C(F)(F)F)C1(C(=O)[O-])CCCCC1 ZINC000391760333 604869991 /nfs/dbraw/zinc/86/99/91/604869991.db2.gz XNOWFIYHFGFUHF-UHFFFAOYSA-N -1 0 329.318 3.565 20 0 EHADRM CC(C)c1cc(C(=O)N(C)C2(C(=O)[O-])CCCCC2)nn1C(C)(C)C ZINC000191305107 604870176 /nfs/dbraw/zinc/87/01/76/604870176.db2.gz KOERQULXRLJPBP-UHFFFAOYSA-N -1 0 349.475 3.621 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1 ZINC000833384258 604878905 /nfs/dbraw/zinc/87/89/05/604878905.db2.gz BBGJWUZWYWJENQ-HJWRWDBZSA-N -1 0 346.383 3.900 20 0 EHADRM Cc1cccc(C2(C(=O)Nc3nc(C4CC4)c(C(=O)[O-])s3)CC2)c1 ZINC000833752480 604879944 /nfs/dbraw/zinc/87/99/44/604879944.db2.gz LCVGQFGUIREPEY-UHFFFAOYSA-N -1 0 342.420 3.697 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000392149515 604880655 /nfs/dbraw/zinc/88/06/55/604880655.db2.gz XDGSJMDCRXMJRF-MRXNPFEDSA-N -1 0 331.456 3.947 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2ccc(-c3ccco3)s2)C1 ZINC000833418378 604883293 /nfs/dbraw/zinc/88/32/93/604883293.db2.gz OHMMFTMOZNRMRW-LBPRGKRZSA-N -1 0 347.436 3.971 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)/C=C/Sc2ccccc2)C1 ZINC000833414724 604887319 /nfs/dbraw/zinc/88/73/19/604887319.db2.gz CQORQXWJTWQVPW-IEZBTEQYSA-N -1 0 333.453 3.642 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2occc2-c2ccccc2)C1 ZINC000326862607 604888316 /nfs/dbraw/zinc/88/83/16/604888316.db2.gz USPAUHFNWVBEAR-OAHLLOKOSA-N -1 0 341.407 3.910 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)[C@H]1CCCc2sccc21 ZINC000431798644 604888617 /nfs/dbraw/zinc/88/86/17/604888617.db2.gz IEIACIIUGDAFRC-RRFJBIMHSA-N -1 0 335.469 3.708 20 0 EHADRM C[C@@]1(NC(=O)c2cc(Cl)sc2Cl)CCCC[C@H]1C(=O)[O-] ZINC000262879609 604889175 /nfs/dbraw/zinc/88/91/75/604889175.db2.gz VTYJKRIAGKGUIN-ISVAXAHUSA-N -1 0 336.240 3.818 20 0 EHADRM C[C@@H](C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccc(Cl)s1 ZINC000683323587 604893655 /nfs/dbraw/zinc/89/36/55/604893655.db2.gz AITIVLGNMBTAEW-MNOVXSKESA-N -1 0 343.876 3.854 20 0 EHADRM O=C([O-])c1cncc(NC(=O)c2ccc(-c3ccccc3Cl)o2)c1 ZINC000833341450 604897852 /nfs/dbraw/zinc/89/78/52/604897852.db2.gz REXSVDQDRHBKOA-UHFFFAOYSA-N -1 0 342.738 3.946 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000827921859 604903306 /nfs/dbraw/zinc/90/33/06/604903306.db2.gz JHBPFKJGAGMXFU-VIFPVBQESA-N -1 0 336.800 3.553 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)OCc1c(F)cccc1Br ZINC000833455067 604906395 /nfs/dbraw/zinc/90/63/95/604906395.db2.gz HGYQMYWKADERPQ-UHFFFAOYSA-N -1 0 347.180 3.522 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)C[C@@H](C)C2CCN(C(=O)[O-])CC2)o1 ZINC000830282287 604922298 /nfs/dbraw/zinc/92/22/98/604922298.db2.gz OPXUBCXKSNHJIA-CZUORRHYSA-N -1 0 348.443 3.668 20 0 EHADRM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000827929039 604928843 /nfs/dbraw/zinc/92/88/43/604928843.db2.gz UPDYOMZKMROBKM-VIFPVBQESA-N -1 0 337.297 3.635 20 0 EHADRM Cc1ccc([C@@H](C)N(C)C(=O)c2ccc(C(=O)[O-])c(F)c2)c(C)c1 ZINC000832922780 604930006 /nfs/dbraw/zinc/93/00/06/604930006.db2.gz ZXVRMWOEQIDRAD-CYBMUJFWSA-N -1 0 329.371 3.974 20 0 EHADRM CCc1nc(C)c(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)s1 ZINC000262150376 604933494 /nfs/dbraw/zinc/93/34/94/604933494.db2.gz LLCPCMTXAXGZHX-UHFFFAOYSA-N -1 0 346.452 3.521 20 0 EHADRM Cc1ccc(CC(=O)N(CCCC(=O)[O-])Cc2ccccc2)cc1C ZINC000537484342 604935795 /nfs/dbraw/zinc/93/57/95/604935795.db2.gz OZRSMBDIYMRYPX-UHFFFAOYSA-N -1 0 339.435 3.740 20 0 EHADRM Cc1cc(O)ccc1NC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000833747164 604936271 /nfs/dbraw/zinc/93/62/71/604936271.db2.gz SDPZRUGEDXYJEM-LLVKDONJSA-N -1 0 331.393 3.518 20 0 EHADRM C[C@]1(NC(=O)c2cccc(C(F)(F)F)c2F)CCCC[C@H]1C(=O)[O-] ZINC000833573900 604965810 /nfs/dbraw/zinc/96/58/10/604965810.db2.gz WUWHRVSYBPRLTR-NHYWBVRUSA-N -1 0 347.308 3.608 20 0 EHADRM O=C([O-])[C@@H](Nc1cccc(C2SCCS2)c1)c1cccnc1 ZINC000833168424 604988508 /nfs/dbraw/zinc/98/85/08/604988508.db2.gz ASCCXPFNRURHQA-AWEZNQCLSA-N -1 0 332.450 3.798 20 0 EHADRM Cc1ccccc1[C@H](C)N(C)C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000832976786 604989209 /nfs/dbraw/zinc/98/92/09/604989209.db2.gz DEWJJMVDSBXXRN-LBPRGKRZSA-N -1 0 347.440 3.694 20 0 EHADRM O=C([O-])C1CCN(C(=O)Nc2cc(C(F)F)ccc2Cl)CC1 ZINC000263000010 604992999 /nfs/dbraw/zinc/99/29/99/604992999.db2.gz GAUBQQLCBPHKGE-UHFFFAOYSA-N -1 0 332.734 3.606 20 0 EHADRM CCc1nc(NC(=O)C/C=C/c2ccc(F)cc2)sc1C(=O)[O-] ZINC000833676963 604994524 /nfs/dbraw/zinc/99/45/24/604994524.db2.gz ZXPKENDETAHGHW-ONEGZZNKSA-N -1 0 334.372 3.585 20 0 EHADRM CCc1nc(NC(=O)CC/C=C/c2ccccc2)sc1C(=O)[O-] ZINC000833676105 604995415 /nfs/dbraw/zinc/99/54/15/604995415.db2.gz KCSPKCLBJNWXIU-UXBLZVDNSA-N -1 0 330.409 3.836 20 0 EHADRM CCCOc1ccc(-c2nc(C(=O)O[C@@H](CC)C(=O)[O-])cs2)cc1 ZINC000833652647 605014548 /nfs/dbraw/zinc/01/45/48/605014548.db2.gz WOFKJFSLXJHOQJ-AWEZNQCLSA-N -1 0 349.408 3.619 20 0 EHADRM CC(C)(C)OCc1ccccc1C(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC000833445458 605019828 /nfs/dbraw/zinc/01/98/28/605019828.db2.gz HNZYLVHFMYZQPP-QGZVFWFLSA-N -1 0 342.391 3.984 20 0 EHADRM CC(C)(C)OCc1ccccc1C(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC000833445456 605019919 /nfs/dbraw/zinc/01/99/19/605019919.db2.gz HNZYLVHFMYZQPP-KRWDZBQOSA-N -1 0 342.391 3.984 20 0 EHADRM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000659399700 605022156 /nfs/dbraw/zinc/02/21/56/605022156.db2.gz FPQNWKJUCLSDTQ-IFXJQAMLSA-N -1 0 344.455 3.596 20 0 EHADRM C[C@@H]1C[C@@H]1[C@@H](NC(=O)c1cncc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000833605594 605031873 /nfs/dbraw/zinc/03/18/73/605031873.db2.gz QVSIGUPILPFLKE-VFVAKGGASA-N -1 0 344.798 3.560 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)OCc1ccc(Br)c(F)c1 ZINC000833455647 605032836 /nfs/dbraw/zinc/03/28/36/605032836.db2.gz WZCNCLLJLMFMOS-UHFFFAOYSA-N -1 0 347.180 3.522 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)OCc1ccc(F)c(Br)c1 ZINC000833455238 605033436 /nfs/dbraw/zinc/03/34/36/605033436.db2.gz MGGSQYHIEOMHMH-UHFFFAOYSA-N -1 0 347.180 3.522 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)N[C@@H](C(=O)[O-])c2ccccn2)cc1 ZINC000833510344 605045060 /nfs/dbraw/zinc/04/50/60/605045060.db2.gz RWYXKSAFVYEBPM-SFFCAUCYSA-N -1 0 338.407 3.550 20 0 EHADRM CC(C)CSCCCOC(=O)c1ccccc1N(C)C(=O)[O-] ZINC000833491574 605054579 /nfs/dbraw/zinc/05/45/79/605054579.db2.gz PHDPLNSQRDXELE-UHFFFAOYSA-N -1 0 325.430 3.737 20 0 EHADRM C[C@H](OC(=O)C1CCC(C(=O)[O-])CC1)c1ncc(-c2ccccc2)o1 ZINC000833529963 605072281 /nfs/dbraw/zinc/07/22/81/605072281.db2.gz WETUBUNKVLMNCD-GRTSSRMGSA-N -1 0 343.379 3.837 20 0 EHADRM CC(C)(C)CN(Cc1ccccc1)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000262700847 605086257 /nfs/dbraw/zinc/08/62/57/605086257.db2.gz HWCQOVYLWRPDDP-UHFFFAOYSA-N -1 0 331.456 3.952 20 0 EHADRM Cc1nc(C2CCCCC2)sc1C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000833755184 605086937 /nfs/dbraw/zinc/08/69/37/605086937.db2.gz CXSCUPAJBFWWHA-UHFFFAOYSA-N -1 0 348.424 3.720 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2ccc(Oc3ccccc3)cn2)CC1 ZINC000833772113 605087840 /nfs/dbraw/zinc/08/78/40/605087840.db2.gz HDJPVVFPWVAXLB-UHFFFAOYSA-N -1 0 340.379 3.703 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(Oc2ccccn2)cc1 ZINC000356524860 605087858 /nfs/dbraw/zinc/08/78/58/605087858.db2.gz YZCKWIYLKYQBHH-UHFFFAOYSA-N -1 0 328.368 3.703 20 0 EHADRM CC1(C)CCc2ccccc2[C@@H]1NC(=O)C1CCC(C(=O)[O-])CC1 ZINC000263577336 605091263 /nfs/dbraw/zinc/09/12/63/605091263.db2.gz RKUQRVSAIPBVKI-DQPZFDDXSA-N -1 0 329.440 3.707 20 0 EHADRM C[C@H]1CC[C@@H](NC(=O)Nc2nc(CC(=O)[O-])cs2)c2ccccc21 ZINC000833602592 605092158 /nfs/dbraw/zinc/09/21/58/605092158.db2.gz FWDVSYJCFVPVQT-IINYFYTJSA-N -1 0 345.424 3.530 20 0 EHADRM C[C@@H]1CC[C@@]2(CCN(C(=O)Nc3ccc(F)c(NC(=O)[O-])c3)C2)C1 ZINC000833610201 605096276 /nfs/dbraw/zinc/09/62/76/605096276.db2.gz JPKMWNINUIWXCU-PIGZYNQJSA-N -1 0 335.379 3.960 20 0 EHADRM CC(C)C[C@H](C)NC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000833476087 605097618 /nfs/dbraw/zinc/09/76/18/605097618.db2.gz XYZSPHWZLPYZJF-FZMZJTMJSA-N -1 0 326.824 3.590 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(Cl)c(F)c1)c1ccc(F)cc1 ZINC000190496302 605120754 /nfs/dbraw/zinc/12/07/54/605120754.db2.gz CPLZDSGGRMWTKS-AWEZNQCLSA-N -1 0 339.725 3.564 20 0 EHADRM CCC(CC)n1nc(C(=O)Nc2cc(C(=O)[O-])ccc2C)cc1C ZINC000190870426 605128307 /nfs/dbraw/zinc/12/83/07/605128307.db2.gz WDKUIZPHVMBSOI-UHFFFAOYSA-N -1 0 329.400 3.812 20 0 EHADRM C[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000833548629 605134453 /nfs/dbraw/zinc/13/44/53/605134453.db2.gz QSKSRPVZLQHWHV-SNVBAGLBSA-N -1 0 334.322 3.888 20 0 EHADRM C[C@@H]1C[C@H](C)CN(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])C1 ZINC000325740870 605135031 /nfs/dbraw/zinc/13/50/31/605135031.db2.gz CGJPRLIQABAFQK-AOOOYVTPSA-N -1 0 344.333 3.913 20 0 EHADRM CCC(CC)n1nc(C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1C ZINC000820278900 605146690 /nfs/dbraw/zinc/14/66/90/605146690.db2.gz ZZURTPVWLQRFLP-UHFFFAOYSA-N -1 0 333.363 3.642 20 0 EHADRM CC(C)(CNC(=O)NCCc1ccc(NC(=O)[O-])cc1)C1CCCC1 ZINC000833457850 605146775 /nfs/dbraw/zinc/14/67/75/605146775.db2.gz YOARBPVRIQGPIO-UHFFFAOYSA-N -1 0 347.459 3.835 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC000263287715 605148718 /nfs/dbraw/zinc/14/87/18/605148718.db2.gz VFZOCZMZTDHRLQ-UHFFFAOYSA-N -1 0 339.391 3.840 20 0 EHADRM C[C@H]1CSC(SCCOc2ccc(C(=O)[O-])cc2Cl)=N1 ZINC000833632155 605149743 /nfs/dbraw/zinc/14/97/43/605149743.db2.gz TXZSBFFHBOPXBA-QMMMGPOBSA-N -1 0 331.846 3.642 20 0 EHADRM CC(C)(C)C[C@@H](Sc1n[nH]c(C=Cc2ccccc2)n1)C(=O)[O-] ZINC000833429846 605150281 /nfs/dbraw/zinc/15/02/81/605150281.db2.gz PPHWRLRZAZYRER-ASCRHOAZSA-N -1 0 331.441 3.957 20 0 EHADRM Cc1c(NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cnn1CC(C)C ZINC000833742216 605157845 /nfs/dbraw/zinc/15/78/45/605157845.db2.gz OASAYXOJTGMREB-UHFFFAOYSA-N -1 0 349.366 3.721 20 0 EHADRM Cc1c(C(=O)[O-])csc1NC(=O)c1cnn(CCC(C)C)c1C ZINC000833741388 605158434 /nfs/dbraw/zinc/15/84/34/605158434.db2.gz KXZCLYANTIVYSH-UHFFFAOYSA-N -1 0 335.429 3.558 20 0 EHADRM Cc1ccc(C(=O)OCc2c(C(=O)[O-])sc3cccc(F)c32)nc1 ZINC000833747673 605160260 /nfs/dbraw/zinc/16/02/60/605160260.db2.gz DNOOVRQFYVDDGZ-UHFFFAOYSA-N -1 0 345.351 3.799 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(CC(=O)[O-])c2)c1C(C)C ZINC000431799881 605162880 /nfs/dbraw/zinc/16/28/80/605162880.db2.gz JXOIQEKABOEOEI-UHFFFAOYSA-N -1 0 342.395 3.529 20 0 EHADRM CC(C)[C@@H](SCc1ccccc1)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000833471499 605168577 /nfs/dbraw/zinc/16/85/77/605168577.db2.gz NZSYXIWDINEISE-MRXNPFEDSA-N -1 0 344.436 3.676 20 0 EHADRM CC[C@@H](NC(=O)Nc1cncc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000833642831 605180655 /nfs/dbraw/zinc/18/06/55/605180655.db2.gz IHURZWKWYIBLQJ-CQSZACIVSA-N -1 0 333.775 3.706 20 0 EHADRM C[C@H]1CC[C@H](CC(=O)OCc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000833605479 605190998 /nfs/dbraw/zinc/19/09/98/605190998.db2.gz ZRWQBIWJSIZDNE-STQMWFEESA-N -1 0 343.379 3.909 20 0 EHADRM C[C@H]1CC[C@H](C(=O)OCc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000833604859 605195544 /nfs/dbraw/zinc/19/55/44/605195544.db2.gz HMEDHZHIJXVIJR-FZMZJTMJSA-N -1 0 329.352 3.519 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)OCc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000833604861 605195745 /nfs/dbraw/zinc/19/57/45/605195745.db2.gz HMEDHZHIJXVIJR-RISCZKNCSA-N -1 0 329.352 3.519 20 0 EHADRM C[C@@H](CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-])c1ccccc1 ZINC000833514188 605200577 /nfs/dbraw/zinc/20/05/77/605200577.db2.gz PVSJWGNOCOPBMK-HOTGVXAUSA-N -1 0 325.408 3.682 20 0 EHADRM CCO[C@H]1C[C@H](Nc2ccc(CNC(=O)[O-])cc2)C12CCCCC2 ZINC000833661766 605219944 /nfs/dbraw/zinc/21/99/44/605219944.db2.gz XGRLXFCFSCXRDK-IRXDYDNUSA-N -1 0 332.444 3.994 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)[C@H]2CCCC[C@H]12 ZINC000833621536 605226407 /nfs/dbraw/zinc/22/64/07/605226407.db2.gz JENOXULZFVGFOE-FCHSOHFDSA-N -1 0 338.354 3.705 20 0 EHADRM C/C(=C\C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-])c1cccc(F)c1 ZINC000833381562 605226926 /nfs/dbraw/zinc/22/69/26/605226926.db2.gz HKCUQPLGGJADHQ-GOFCXVBSSA-N -1 0 341.382 3.731 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)CCc1ncc(-c2ccccc2)o1)C(=O)[O-] ZINC000833428569 605235566 /nfs/dbraw/zinc/23/55/66/605235566.db2.gz UILRNDKNUSYHGU-AWEZNQCLSA-N -1 0 345.395 3.707 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000833642058 605239068 /nfs/dbraw/zinc/23/90/68/605239068.db2.gz XIPBEVFJBUBWDY-UHFFFAOYSA-N -1 0 330.388 3.895 20 0 EHADRM Cc1nc(-c2ccc(NCC3CCN(C(=O)[O-])CC3)cc2)oc1C ZINC000830685213 605248682 /nfs/dbraw/zinc/24/86/82/605248682.db2.gz FOTWUJSNRQNNMM-UHFFFAOYSA-N -1 0 329.400 3.760 20 0 EHADRM O=C([O-])N1CCC[C@@H](CNc2ccccc2OCc2cscn2)C1 ZINC000831985766 605252511 /nfs/dbraw/zinc/25/25/11/605252511.db2.gz LUEPBNXQKAUXOP-ZDUSSCGKSA-N -1 0 347.440 3.524 20 0 EHADRM O=C([O-])N1CCC(CNc2ccccc2OCc2cscn2)CC1 ZINC000831888750 605252577 /nfs/dbraw/zinc/25/25/77/605252577.db2.gz IUTWFSVQIODFHF-UHFFFAOYSA-N -1 0 347.440 3.524 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000683303013 605258391 /nfs/dbraw/zinc/25/83/91/605258391.db2.gz YUOHCNRBSNMCPM-DGCLKSJQSA-N -1 0 343.345 3.569 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000263012401 605259744 /nfs/dbraw/zinc/25/97/44/605259744.db2.gz WTXNGFSVAQCJHB-OAHLLOKOSA-N -1 0 325.408 3.911 20 0 EHADRM O=C([O-])N1CCC(Nc2cccc(NC(=O)C3CCCCC3)c2)CC1 ZINC000831785043 605261429 /nfs/dbraw/zinc/26/14/29/605261429.db2.gz PTWOVVINSVLPHL-UHFFFAOYSA-N -1 0 345.443 3.760 20 0 EHADRM CCOc1ccc(N[C@H](C)CC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000833662404 605300531 /nfs/dbraw/zinc/30/05/31/605300531.db2.gz FVNAWWIEPGLXAF-CYBMUJFWSA-N -1 0 342.395 3.613 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1)n1cccc1 ZINC000580509604 605303465 /nfs/dbraw/zinc/30/34/65/605303465.db2.gz BXOZAVVATBJNEF-IFXJQAMLSA-N -1 0 336.391 3.535 20 0 EHADRM C[C@H](CC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1)n1cccc1 ZINC000580509605 605303533 /nfs/dbraw/zinc/30/35/33/605303533.db2.gz BXOZAVVATBJNEF-KUHUBIRLSA-N -1 0 336.391 3.535 20 0 EHADRM CC(C)COc1ncccc1C(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833492052 605304713 /nfs/dbraw/zinc/30/47/13/605304713.db2.gz OJUOWMYDBMABDT-UHFFFAOYSA-N -1 0 347.346 3.598 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000833772769 605308002 /nfs/dbraw/zinc/30/80/02/605308002.db2.gz KFUDUPSGPXYANS-AWEZNQCLSA-N -1 0 337.297 3.651 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000834272353 605358457 /nfs/dbraw/zinc/35/84/57/605358457.db2.gz PPXWAQNMDGOTTB-QGZVFWFLSA-N -1 0 342.370 3.652 20 0 EHADRM CC[C@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2)CC[C@H]1NC(=O)[O-] ZINC000833852183 605360407 /nfs/dbraw/zinc/36/04/07/605360407.db2.gz YLSOZCVTMYYJKT-TVQRCGJNSA-N -1 0 345.226 3.502 20 0 EHADRM Cc1cc(F)ccc1C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000830067878 605363243 /nfs/dbraw/zinc/36/32/43/605363243.db2.gz FMAJDNAVZUEXGY-UHFFFAOYSA-N -1 0 328.343 3.817 20 0 EHADRM Cc1cc(F)ccc1C(=O)N1CCCN(C(=O)[O-])c2ccccc21 ZINC000830068920 605372733 /nfs/dbraw/zinc/37/27/33/605372733.db2.gz QRSKUYFYVJOSBQ-UHFFFAOYSA-N -1 0 328.343 3.669 20 0 EHADRM CC(C)Oc1c(F)cc(NC(=O)c2cccc(C(=O)[O-])c2)cc1F ZINC000833505742 605375482 /nfs/dbraw/zinc/37/54/82/605375482.db2.gz ROLDGXDTLDLAIA-UHFFFAOYSA-N -1 0 335.306 3.703 20 0 EHADRM CCc1cnccc1[C@@H](C)N[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833675520 605392222 /nfs/dbraw/zinc/39/22/22/605392222.db2.gz ZBWRCHMRVQHRLN-QLJPJBMISA-N -1 0 336.794 3.913 20 0 EHADRM CCC(CC)[C@H]1C[C@@H](NC(=O)Nc2cccc(C(=O)[O-])c2C)CCO1 ZINC000833643008 605395855 /nfs/dbraw/zinc/39/58/55/605395855.db2.gz WMMLZRQGZJAGHF-WMLDXEAASA-N -1 0 348.443 3.799 20 0 EHADRM CCC(CC)[C@@H]1C[C@@H](NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)CCO1 ZINC000833642731 605398163 /nfs/dbraw/zinc/39/81/63/605398163.db2.gz RLTLSXONWBRDHU-RDJZCZTQSA-N -1 0 348.443 3.799 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000833660128 605455266 /nfs/dbraw/zinc/45/52/66/605455266.db2.gz GDLIQWZBUZNLGP-UHFFFAOYSA-N -1 0 348.786 3.759 20 0 EHADRM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)Nc1ccc(Cl)cc1Cl ZINC000825830392 605471840 /nfs/dbraw/zinc/47/18/40/605471840.db2.gz FZICUMSLIJMTJF-WCBMZHEXSA-N -1 0 346.214 3.646 20 0 EHADRM O=C([O-])NC1CCN(Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000834189735 605487230 /nfs/dbraw/zinc/48/72/30/605487230.db2.gz OQANKIBFMVIBTM-UHFFFAOYSA-N -1 0 336.741 3.591 20 0 EHADRM O=C([O-])c1ccccc1COC(=O)CCc1ccc2ccccc2n1 ZINC000833763942 605498330 /nfs/dbraw/zinc/49/83/30/605498330.db2.gz OAEXTYHNNRFRNT-UHFFFAOYSA-N -1 0 335.359 3.609 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2ccc3c(c2)COC3)c(Cl)c1 ZINC000834257195 605511319 /nfs/dbraw/zinc/51/13/19/605511319.db2.gz ZHSDUJBYYFIITI-UHFFFAOYSA-N -1 0 332.743 3.712 20 0 EHADRM COc1ccc(NC(=O)N2CC=C(C(C)(C)C)CC2)cc1NC(=O)[O-] ZINC000833888567 605545464 /nfs/dbraw/zinc/54/54/64/605545464.db2.gz CFSBNIAWNRWKJS-UHFFFAOYSA-N -1 0 347.415 3.995 20 0 EHADRM C[C@@H](CC(=O)OCc1cccc(NC(=O)[O-])c1)C(=O)c1ccccc1 ZINC000824736067 605546718 /nfs/dbraw/zinc/54/67/18/605546718.db2.gz LTERTBIIIKIPNB-ZDUSSCGKSA-N -1 0 341.363 3.729 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N[C@H]2CCCC(F)(F)C2)cc1 ZINC000825427702 605548176 /nfs/dbraw/zinc/54/81/76/605548176.db2.gz YBUJPCMYFVJUFA-GWCFXTLKSA-N -1 0 341.358 3.715 20 0 EHADRM C[C@@H](NC(=O)C[C@@H](NC(=O)[O-])c1ccccc1)c1ccc(F)c(F)c1 ZINC000825102438 605567391 /nfs/dbraw/zinc/56/73/91/605567391.db2.gz VNEXSNHEIGLWNZ-BDJLRTHQSA-N -1 0 348.349 3.541 20 0 EHADRM CSc1cccc(NC(=O)C[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000829772436 605568012 /nfs/dbraw/zinc/56/80/12/605568012.db2.gz WQDFORKRZOZMEV-OAHLLOKOSA-N -1 0 330.409 3.746 20 0 EHADRM Cc1cc(C(=O)Nc2nc3c(s2)CCCC3)ccc1NC(=O)[O-] ZINC000829971615 605572998 /nfs/dbraw/zinc/57/29/98/605572998.db2.gz OLAIQXYLURURNI-UHFFFAOYSA-N -1 0 331.397 3.673 20 0 EHADRM O=C([O-])Nc1cccc(Cn2cc(C(F)(F)F)cc(Cl)c2=O)c1 ZINC000834269841 605573878 /nfs/dbraw/zinc/57/38/78/605573878.db2.gz SYKMUIKODTXENK-UHFFFAOYSA-N -1 0 346.692 3.659 20 0 EHADRM O=C([O-])N1CCCN(C(=O)c2scnc2C2CC2)c2ccccc21 ZINC000834103026 605586182 /nfs/dbraw/zinc/58/61/82/605586182.db2.gz INDKADLHNSURHG-UHFFFAOYSA-N -1 0 343.408 3.555 20 0 EHADRM Cc1cc(C(=O)N(C)CCCOc2ccccc2)ccc1NC(=O)[O-] ZINC000829914704 605612029 /nfs/dbraw/zinc/61/20/29/605612029.db2.gz UNJCWGHDSYGFDZ-UHFFFAOYSA-N -1 0 342.395 3.626 20 0 EHADRM O=C([O-])N[C@@H](CC(=O)Nc1cccc2ccncc21)c1ccccc1 ZINC000834129298 605619278 /nfs/dbraw/zinc/61/92/78/605619278.db2.gz OXNMKIJEKBCGFF-KRWDZBQOSA-N -1 0 335.363 3.572 20 0 EHADRM Cc1ncc(-c2ccc(N[C@@H](C)[C@@H]3CCCN(C(=O)[O-])C3)cc2)o1 ZINC000833915985 605658501 /nfs/dbraw/zinc/65/85/01/605658501.db2.gz SREOFVYBZYKIPE-SWLSCSKDSA-N -1 0 329.400 3.840 20 0 EHADRM O=C([O-])NC[C@H]1CCC[C@H]1Nc1cccc(OCc2cscn2)c1 ZINC000834219600 605661520 /nfs/dbraw/zinc/66/15/20/605661520.db2.gz XRXVPDSQUSBSFA-MLGOLLRUSA-N -1 0 347.440 3.570 20 0 EHADRM Cc1c(NC(=O)c2cccc(NC(=O)[O-])c2)cnn1-c1ccccc1 ZINC000829884998 605693202 /nfs/dbraw/zinc/69/32/02/605693202.db2.gz XJTLYCBUOIEAIT-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM COc1cccc(F)c1[C@@H](C)NC(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000829565351 605701861 /nfs/dbraw/zinc/70/18/61/605701861.db2.gz TVLAXGXKVTZOBS-LLVKDONJSA-N -1 0 346.358 3.724 20 0 EHADRM Cc1ccc(CC[C@@H](C)NC(=O)c2ccc(NC(=O)[O-])c(C)c2)o1 ZINC000830296991 605702564 /nfs/dbraw/zinc/70/25/64/605702564.db2.gz UUXLOHBIMMPKQK-GFCCVEGCSA-N -1 0 330.384 3.737 20 0 EHADRM Cc1cc(C(=O)N2c3ccccc3OC[C@@H]2C)ccc1NC(=O)[O-] ZINC000829933989 605704258 /nfs/dbraw/zinc/70/42/58/605704258.db2.gz CZBKJRUEHFIDIY-LBPRGKRZSA-N -1 0 326.352 3.513 20 0 EHADRM O=C([O-])N1CCCCC[C@@H]1c1noc(Cc2c[nH]c3ccccc23)n1 ZINC000834102723 605722312 /nfs/dbraw/zinc/72/23/12/605722312.db2.gz FQHMTVGBIRWMSW-OAHLLOKOSA-N -1 0 340.383 3.737 20 0 EHADRM CCCc1sc(C(=O)N2CC[C@H](NC(=O)[O-])C[C@H]2C)cc1CC ZINC000826959867 605748825 /nfs/dbraw/zinc/74/88/25/605748825.db2.gz WIHAMMDSFZYQEB-YPMHNXCESA-N -1 0 338.473 3.524 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N2CCCC[C@H]2c2ccco2)c1 ZINC000834265706 605770234 /nfs/dbraw/zinc/77/02/34/605770234.db2.gz QETAQSPCOHUKRE-HNNXBMFYSA-N -1 0 328.368 3.666 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)Nc2ccccc2OCC2CC2)c1 ZINC000834266263 605770441 /nfs/dbraw/zinc/77/04/41/605770441.db2.gz MQOUOEQFXWKTBX-UHFFFAOYSA-N -1 0 340.379 3.747 20 0 EHADRM COc1c(F)cc(F)cc1NCc1cc(C(=O)[O-])ccc1Cl ZINC000833726793 605784304 /nfs/dbraw/zinc/78/43/04/605784304.db2.gz GUUOCOAHGJGJFB-UHFFFAOYSA-N -1 0 327.714 3.937 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000833775903 605800535 /nfs/dbraw/zinc/80/05/35/605800535.db2.gz BTKXTCGYYXQBBJ-GHMZBOCLSA-N -1 0 348.292 3.727 20 0 EHADRM O=C([O-])c1ccc(F)c(COC(=O)c2c(F)cccc2Cl)c1 ZINC000833780880 605810127 /nfs/dbraw/zinc/81/01/27/605810127.db2.gz IGDJHZMNEKNKLE-UHFFFAOYSA-N -1 0 326.682 3.673 20 0 EHADRM O=C([O-])c1ccc(F)c(COC(=O)[C@@H]2SCCc3ccccc32)c1 ZINC000833781292 605819264 /nfs/dbraw/zinc/81/92/64/605819264.db2.gz YVSODVIKOSTURY-MRXNPFEDSA-N -1 0 346.379 3.598 20 0 EHADRM O=C([O-])c1ccc(F)c(COC(=O)[C@@H](c2ccccc2)C2CC2)c1 ZINC000833780711 605820730 /nfs/dbraw/zinc/82/07/30/605820730.db2.gz BCFOLYWCLQWREQ-KRWDZBQOSA-N -1 0 328.339 3.761 20 0 EHADRM C[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2F)C[C@@H](c2ccc(F)cc2)O1 ZINC000833630095 605835733 /nfs/dbraw/zinc/83/57/33/605835733.db2.gz PUSFBCQNCIILEV-XIKOKIGWSA-N -1 0 347.361 3.625 20 0 EHADRM C[C@H](C(=O)Nc1ccc(O)c(Cl)c1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000833791376 605846741 /nfs/dbraw/zinc/84/67/41/605846741.db2.gz UYIRNCGIXRYAMU-BONVTDFDSA-N -1 0 348.786 3.629 20 0 EHADRM Cc1scc(C(=O)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)c1C ZINC000833939084 605865852 /nfs/dbraw/zinc/86/58/52/605865852.db2.gz WHLDZLLMBHZQFI-LLVKDONJSA-N -1 0 332.425 3.624 20 0 EHADRM C[C@@H](OC(=O)c1cc(C(=O)[O-])no1)c1cc(Cl)ccc1Cl ZINC000833531964 605906328 /nfs/dbraw/zinc/90/63/28/605906328.db2.gz LXTZJZYTAPBHJC-ZCFIWIBFSA-N -1 0 330.123 3.598 20 0 EHADRM O=C([O-])NCCCCC(=O)Nc1ccc(Sc2ccncc2)cc1 ZINC000834234680 605926369 /nfs/dbraw/zinc/92/63/69/605926369.db2.gz IBWWHQLBXHWYRZ-UHFFFAOYSA-N -1 0 345.424 3.609 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)N2CC[C@@H]2c2cccc(F)c2)c1 ZINC000834247313 605927634 /nfs/dbraw/zinc/92/76/34/605927634.db2.gz KQJLVJGBKJKHPA-MRXNPFEDSA-N -1 0 343.358 3.572 20 0 EHADRM CC(C)[C@@H](NC(=O)CCCCNC(=O)[O-])c1ccc(Cl)cc1F ZINC000833792557 605931238 /nfs/dbraw/zinc/93/12/38/605931238.db2.gz JOCROYDLTYXFOL-OAHLLOKOSA-N -1 0 344.814 3.730 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)CCc2ccc3[nH]ccc3c2)c1 ZINC000834247539 605995563 /nfs/dbraw/zinc/99/55/63/605995563.db2.gz NXFPWMICYWHUAX-UHFFFAOYSA-N -1 0 337.379 3.507 20 0 EHADRM O=C([O-])NC1(c2noc([C@@H](c3ccccc3)C3CC3)n2)CCCC1 ZINC000834157966 606010086 /nfs/dbraw/zinc/01/00/86/606010086.db2.gz NIDQZMAFABCMHS-AWEZNQCLSA-N -1 0 327.384 3.648 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)Nc1cnn(CC(C)C)c1 ZINC000833906019 606010512 /nfs/dbraw/zinc/01/05/12/606010512.db2.gz HFKOKEHQHLOOLR-UHFFFAOYSA-N -1 0 331.376 3.581 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCCCOC1CCCC1 ZINC000833906628 606012002 /nfs/dbraw/zinc/01/20/02/606012002.db2.gz JDMOTWBYRDZRIN-UHFFFAOYSA-N -1 0 335.404 3.556 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000834270312 606064834 /nfs/dbraw/zinc/06/48/34/606064834.db2.gz DHOLPWOLGDGJNF-INIZCTEOSA-N -1 0 344.798 3.946 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N[C@H]2CCSc3c(F)cccc32)c1 ZINC000740028940 606070523 /nfs/dbraw/zinc/07/05/23/606070523.db2.gz LLGWPPSZFZQRRC-AWEZNQCLSA-N -1 0 346.383 3.883 20 0 EHADRM C[C@@H](OC(=O)Cc1ccccc1NC(=O)[O-])c1cc(F)ccc1F ZINC000833895772 606090847 /nfs/dbraw/zinc/09/08/47/606090847.db2.gz HPSMHMCAXMUXQO-SNVBAGLBSA-N -1 0 335.306 3.902 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2cc(Cl)ccc2o1)c1ccccc1 ZINC000035978669 939031295 /nfs/dbraw/zinc/03/12/95/939031295.db2.gz COZATVYOWVBYFW-HNNXBMFYSA-N -1 0 329.739 3.642 20 0 EHADRM O=C([O-])C1(NC(=O)c2cc3sc4ccccc4c3s2)CCC1 ZINC000181876545 939033188 /nfs/dbraw/zinc/03/31/88/939033188.db2.gz WGHYAHRDSHVBMZ-UHFFFAOYSA-N -1 0 331.418 3.853 20 0 EHADRM Cc1nc(-c2ccccc2)ccc1C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000190746157 939035792 /nfs/dbraw/zinc/03/57/92/939035792.db2.gz DNRLWSSDAKSTRQ-IBGZPJMESA-N -1 0 346.386 3.613 20 0 EHADRM Cc1ccc(F)c(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)c1 ZINC000191488254 939038601 /nfs/dbraw/zinc/03/86/01/939038601.db2.gz MCJUMXDCFGOVGA-SFHVURJKSA-N -1 0 337.350 3.843 20 0 EHADRM CC(C)c1cc(C(=O)NC2(C(=O)[O-])CCC(C)CC2)nn1C(C)(C)C ZINC000236683243 939044274 /nfs/dbraw/zinc/04/42/74/939044274.db2.gz OOAQNGNKAGZGQG-UHFFFAOYSA-N -1 0 349.475 3.525 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CSCc1ccc(Cl)cc1)c1ccccc1 ZINC000237995172 939053539 /nfs/dbraw/zinc/05/35/39/939053539.db2.gz STADZBDYQQIECR-INIZCTEOSA-N -1 0 349.839 3.515 20 0 EHADRM C/C(=C/c1ccccc1Cl)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000761592334 939067634 /nfs/dbraw/zinc/06/76/34/939067634.db2.gz DSRFQZXGWPALBX-HSNDNRACSA-N -1 0 343.810 3.860 20 0 EHADRM CCCCSCC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000762212180 939071647 /nfs/dbraw/zinc/07/16/47/939071647.db2.gz RXUXZWATNHOWKJ-QGZVFWFLSA-N -1 0 331.437 3.615 20 0 EHADRM CC[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1)c1ccccc1 ZINC000262936185 939087852 /nfs/dbraw/zinc/08/78/52/939087852.db2.gz GGYWXNIHGJEPIA-NVXWUHKLSA-N -1 0 329.371 3.570 20 0 EHADRM CC[C@H](C(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1)c1ccccc1 ZINC000262936186 939087921 /nfs/dbraw/zinc/08/79/21/939087921.db2.gz GGYWXNIHGJEPIA-RDJZCZTQSA-N -1 0 329.371 3.570 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC000263206910 939109693 /nfs/dbraw/zinc/10/96/93/939109693.db2.gz ZFUVUSCNTDJJGV-INIZCTEOSA-N -1 0 333.359 3.715 20 0 EHADRM COc1ccc([C@@H](NC(=O)CC[C@H](C)c2ccccc2)C(=O)[O-])cc1 ZINC000263537406 939114968 /nfs/dbraw/zinc/11/49/68/939114968.db2.gz PGISORZBNXNDGL-IFXJQAMLSA-N -1 0 341.407 3.521 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2cccc(C(F)(F)F)c2)CCCCC1 ZINC000320252362 939123264 /nfs/dbraw/zinc/12/32/64/939123264.db2.gz PZZYZEJEMQQVQB-UHFFFAOYSA-N -1 0 330.306 3.614 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)NC2(C(=O)[O-])CCCCCC2)c(C)s1 ZINC000320562864 939123359 /nfs/dbraw/zinc/12/33/59/939123359.db2.gz RXJSMCASPZODSN-GFCCVEGCSA-N -1 0 338.473 3.903 20 0 EHADRM Cc1cc(OC(C)C)ccc1NC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000780452212 939123606 /nfs/dbraw/zinc/12/36/06/939123606.db2.gz SPVSFFBAYLEJGV-KRWDZBQOSA-N -1 0 342.395 3.730 20 0 EHADRM C[C@@H](Sc1ccccc1)C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000345837488 939128259 /nfs/dbraw/zinc/12/82/59/939128259.db2.gz KYOHIEDPNYKNQT-ABAIWWIYSA-N -1 0 349.839 3.763 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1ccc(Cl)c(F)c1)C1CCCCC1 ZINC000386931490 939133585 /nfs/dbraw/zinc/13/35/85/939133585.db2.gz OMWBRKFIXHAUSB-ZDUSSCGKSA-N -1 0 328.771 3.634 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)N[C@H](C(=O)[O-])c2cccs2)c(C)s1 ZINC000388645852 939133654 /nfs/dbraw/zinc/13/36/54/939133654.db2.gz RCXPMWHSWRGVMX-RNCFNFMXSA-N -1 0 338.454 3.613 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2c(cccc2F)s1)c1ccccc1 ZINC000390287558 939135382 /nfs/dbraw/zinc/13/53/82/939135382.db2.gz GFCCYIBZLSYQDF-HNNXBMFYSA-N -1 0 329.352 3.596 20 0 EHADRM CC(C)c1ccc(SCC(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000426716174 939144687 /nfs/dbraw/zinc/14/46/87/939144687.db2.gz KXVUXXADAQMGGN-SFHVURJKSA-N -1 0 343.448 3.844 20 0 EHADRM CC[C@@](NC(=O)Nc1ccccc1Cl)(C(=O)[O-])c1ccccc1 ZINC000788320953 939150324 /nfs/dbraw/zinc/15/03/24/939150324.db2.gz PAOBYIPREVBZQK-KRWDZBQOSA-N -1 0 332.787 3.852 20 0 EHADRM CCc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)cc1 ZINC000431890351 939170368 /nfs/dbraw/zinc/17/03/68/939170368.db2.gz RFMPSSVULCBEAJ-LJQANCHMSA-N -1 0 333.387 3.958 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N[C@@H](C(=O)[O-])c2cccs2)cc1 ZINC000448987690 939205156 /nfs/dbraw/zinc/20/51/56/939205156.db2.gz CAURSTZMULUHHL-SJKOYZFVSA-N -1 0 331.437 3.746 20 0 EHADRM Cc1cc(C(=O)N[C@H](C(=O)[O-])c2cccc(C)c2C)c(C)n1C1CC1 ZINC000455916155 939211090 /nfs/dbraw/zinc/21/10/90/939211090.db2.gz DWWPTTOBACEBPJ-SFHVURJKSA-N -1 0 340.423 3.612 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc(C2CCC2)cc1)c1cc(F)ccc1F ZINC000799243441 939211999 /nfs/dbraw/zinc/21/19/99/939211999.db2.gz BAIYMAXZHMYSNP-QGZVFWFLSA-N -1 0 345.345 3.788 20 0 EHADRM CCC[C@@H](C)CC(=O)N[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000485202728 939218957 /nfs/dbraw/zinc/21/89/57/939218957.db2.gz BDVFHSYKXYUAEP-YGRLFVJLSA-N -1 0 342.233 3.517 20 0 EHADRM CC[C@@](NC(=O)c1csc(C(C)(C)C)n1)(C(=O)[O-])c1ccccc1 ZINC000485377591 939228321 /nfs/dbraw/zinc/22/83/21/939228321.db2.gz MFCYXZNXATYZBB-SFHVURJKSA-N -1 0 346.452 3.561 20 0 EHADRM CC[C@@](NC(=O)Cc1ccccc1F)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507312084 939234272 /nfs/dbraw/zinc/23/42/72/939234272.db2.gz QDGDOSTUPUHLRN-SFHVURJKSA-N -1 0 349.789 3.528 20 0 EHADRM COc1ccc2oc(C(=O)N[C@@]3(C(=O)[O-])CC[C@H](C)CC3)c(C)c2c1 ZINC000851617284 939237692 /nfs/dbraw/zinc/23/76/92/939237692.db2.gz UYTYRPRIDQCZCY-RRNAMWOMSA-N -1 0 345.395 3.513 20 0 EHADRM CC(C)c1ccc(CCC(=O)N[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC000516315538 939243794 /nfs/dbraw/zinc/24/37/94/939243794.db2.gz NHUJDOYNUOJPNJ-KRWDZBQOSA-N -1 0 331.437 3.746 20 0 EHADRM Cc1nc2ccc(NC(=O)N[C@H](C(=O)[O-])c3cccs3)cc2s1 ZINC000517485699 939248512 /nfs/dbraw/zinc/24/85/12/939248512.db2.gz OPMKRJDRBNTDLU-ZDUSSCGKSA-N -1 0 347.421 3.614 20 0 EHADRM Cc1ccccc1CNC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000521990986 939257793 /nfs/dbraw/zinc/25/77/93/939257793.db2.gz UPBNHGNQXCZDLZ-IBGZPJMESA-N -1 0 348.402 3.773 20 0 EHADRM CC(C)C[C@H](C)CC(=O)N[C@H](C(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000537404322 939270335 /nfs/dbraw/zinc/27/03/35/939270335.db2.gz XZBFNAUCMLCTHY-NHYWBVRUSA-N -1 0 343.370 3.602 20 0 EHADRM COc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)c(C)c1 ZINC000900328057 939274865 /nfs/dbraw/zinc/27/48/65/939274865.db2.gz JGSPUTZSUMILDM-QGZVFWFLSA-N -1 0 342.395 3.568 20 0 EHADRM CC[C@@H](C)Sc1ccc(NC(=O)N[C@@H](C(=O)[O-])C2CC2)c(C)c1 ZINC000900332913 939275872 /nfs/dbraw/zinc/27/58/72/939275872.db2.gz GJBLDFYVFMWUBA-IAQYHMDHSA-N -1 0 336.457 3.870 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)NC2(C(=O)[O-])CCCC2)c1 ZINC000908634193 939302998 /nfs/dbraw/zinc/30/29/98/939302998.db2.gz FCIIOVYISPUZPT-UHFFFAOYSA-N -1 0 334.416 3.521 20 0 EHADRM CCC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C(=O)[O-])c1ccsc1 ZINC000555843605 939303644 /nfs/dbraw/zinc/30/36/44/939303644.db2.gz PGQUDFBWCQBICJ-JKSUJKDBSA-N -1 0 346.452 3.584 20 0 EHADRM CSCc1cccc(NC(=O)NC2(C(=O)[O-])CCCCCC2)c1 ZINC000559586404 939317363 /nfs/dbraw/zinc/31/73/63/939317363.db2.gz QMFOLLFSKZZWPO-UHFFFAOYSA-N -1 0 336.457 3.849 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2ccc(CC(F)(F)F)cc2)CCCCC1 ZINC000561541835 939319552 /nfs/dbraw/zinc/31/95/52/939319552.db2.gz RHXJJPKPCNFRQZ-UHFFFAOYSA-N -1 0 344.333 3.700 20 0 EHADRM CC(C)[C@H](CNC(=O)N[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000563912942 939341805 /nfs/dbraw/zinc/34/18/05/939341805.db2.gz QFRDUHOKWVXVHN-ROUUACIJSA-N -1 0 340.423 3.551 20 0 EHADRM CCOc1cccc(NC(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)c1 ZINC000567850958 939364099 /nfs/dbraw/zinc/36/40/99/939364099.db2.gz OMJVXLWDVINKEB-KRWDZBQOSA-N -1 0 342.395 3.650 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1ccc(OCC2CCCCC2)cc1)C1CC1 ZINC000573064440 939404827 /nfs/dbraw/zinc/40/48/27/939404827.db2.gz WWYZRNZFGSPDCM-QGZVFWFLSA-N -1 0 346.427 3.630 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1cccc(CSC2CCCC2)c1)C1CC1 ZINC000573903964 939722239 /nfs/dbraw/zinc/72/22/39/939722239.db2.gz URDFTKWOGZOOCP-MRXNPFEDSA-N -1 0 348.468 3.847 20 0 EHADRM Cc1cccc([C@H](NC(=O)NCc2cccc(Cl)c2)C(=O)[O-])c1C ZINC000577616584 939747945 /nfs/dbraw/zinc/74/79/45/939747945.db2.gz BKCVAKBUIIUFTR-INIZCTEOSA-N -1 0 346.814 3.582 20 0 EHADRM Cc1ccc([C@@H](NC(=O)NCc2ccc(Cl)cc2)C(=O)[O-])cc1C ZINC000577936759 939750635 /nfs/dbraw/zinc/75/06/35/939750635.db2.gz HINPIGDOZPBLGN-MRXNPFEDSA-N -1 0 346.814 3.582 20 0 EHADRM CCCOc1ccc(NC(=O)NC2(C(=O)[O-])CCCC2)cc1Cl ZINC000578352438 939753758 /nfs/dbraw/zinc/75/37/58/939753758.db2.gz CJWWQCPRTJVSTG-UHFFFAOYSA-N -1 0 340.807 3.648 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)N[C@H](C(=O)[O-])c2cccnc2)cc1 ZINC000910985652 939765494 /nfs/dbraw/zinc/76/54/94/939765494.db2.gz BEAHAHXLXGBXST-UABKOXTMSA-N -1 0 338.407 3.550 20 0 EHADRM CC(C)Sc1ccc([C@H](C)NC(=O)NC2(C(=O)[O-])CCC2)cc1 ZINC000581862091 939780604 /nfs/dbraw/zinc/78/06/04/939780604.db2.gz BXUQROAPSFIEGL-LBPRGKRZSA-N -1 0 336.457 3.555 20 0 EHADRM C[C@@H](NC(=O)N[C@](C)(C(=O)[O-])C1CC1)c1cc2ccccc2s1 ZINC000583043648 939788644 /nfs/dbraw/zinc/78/86/44/939788644.db2.gz ZJKUUKAKLFYWNA-QGHHPUGFSA-N -1 0 332.425 3.515 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC000583127427 939789085 /nfs/dbraw/zinc/78/90/85/939789085.db2.gz RRUCWPCFWZOELU-AWEZNQCLSA-N -1 0 346.452 3.747 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)c1cccs1 ZINC000630174586 939814022 /nfs/dbraw/zinc/81/40/22/939814022.db2.gz KVQOTMCTBVSKRJ-FMKPAKJESA-N -1 0 329.421 3.574 20 0 EHADRM CCC(C)(C)N(C)C(=O)N[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000663293570 939860477 /nfs/dbraw/zinc/86/04/77/939860477.db2.gz KBRVWLHXXOMKED-LBPRGKRZSA-N -1 0 347.242 3.949 20 0 EHADRM C[C@@H](NC(=O)N[C@@H](C(=O)[O-])C1CCCCC1)c1cc2ccccc2o1 ZINC000679539312 939869728 /nfs/dbraw/zinc/86/97/28/939869728.db2.gz BZBLJRHGCQTHFE-SJKOYZFVSA-N -1 0 344.411 3.827 20 0 EHADRM C[C@@H](NC(=O)N[C@H](C(=O)[O-])c1ccccc1)c1cc2ccccc2o1 ZINC000679540234 939869733 /nfs/dbraw/zinc/86/97/33/939869733.db2.gz KOUCQLSVMWVBOS-PXAZEXFGSA-N -1 0 338.363 3.619 20 0 EHADRM Cc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000683921147 939871162 /nfs/dbraw/zinc/87/11/62/939871162.db2.gz ICEQEEHDILXHAR-AWEZNQCLSA-N -1 0 336.750 3.735 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)N[C@@]1(C(=O)[O-])CCc2ccccc21 ZINC000683921502 939871225 /nfs/dbraw/zinc/87/12/25/939871225.db2.gz ZCRUUXRLFYIYCV-SFHVURJKSA-N -1 0 344.798 3.696 20 0 EHADRM O=C([O-])Cc1ccccc1COc1c(F)c(F)c(F)c(F)c1F ZINC000321605815 970787834 /nfs/dbraw/zinc/78/78/34/970787834.db2.gz RUTMKJKJIKTKGJ-UHFFFAOYSA-N -1 0 332.224 3.588 20 0 EHADRM CCC(CC)N(CC(C)C)S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000321717363 970801132 /nfs/dbraw/zinc/80/11/32/970801132.db2.gz YFKGBILDFPEJRJ-UHFFFAOYSA-N -1 0 341.473 3.529 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC001610991520 970835867 /nfs/dbraw/zinc/83/58/67/970835867.db2.gz SVZONXVRTWCMTK-ZIAGYGMSSA-N -1 0 334.416 3.503 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cnc(Cl)c3ccccc23)c1 ZINC000323021797 970959383 /nfs/dbraw/zinc/95/93/83/970959383.db2.gz RNULZJGZUJROGP-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM CCc1ccc(NC(=O)c2cc(Cl)nc(CC)c2)c(C(=O)[O-])c1 ZINC000323301218 970987444 /nfs/dbraw/zinc/98/74/44/970987444.db2.gz AKCXUYOLQBLRSB-UHFFFAOYSA-N -1 0 332.787 3.810 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)CCCOc1ccccc1C ZINC000323909012 971055698 /nfs/dbraw/zinc/05/56/98/971055698.db2.gz ZVBRSMOUXFZZQA-UHFFFAOYSA-N -1 0 333.409 3.861 20 0 EHADRM Cc1c(C(=O)[O-])cc(CNc2cccc(-c3nccs3)c2)n1C ZINC000323959270 971066627 /nfs/dbraw/zinc/06/66/27/971066627.db2.gz ZJASTSPADYZJHU-UHFFFAOYSA-N -1 0 327.409 3.767 20 0 EHADRM CC(C)(C)C(C)(C)CNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000324149254 971089694 /nfs/dbraw/zinc/08/96/94/971089694.db2.gz LWJCOEQLIXGCKG-UHFFFAOYSA-N -1 0 328.359 3.857 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2CCCc3ccccc32)c(F)cc1F ZINC000324229023 971098998 /nfs/dbraw/zinc/09/89/98/971098998.db2.gz RKJXDLJJBMJTAV-LBPRGKRZSA-N -1 0 331.318 3.722 20 0 EHADRM CCC1(CNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CCOCC1 ZINC000324268563 971103175 /nfs/dbraw/zinc/10/31/75/971103175.db2.gz DWLNPWLDVKQIIL-UHFFFAOYSA-N -1 0 342.779 3.565 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)CSc2ccc(F)cc2)c1F ZINC000324264294 971103234 /nfs/dbraw/zinc/10/32/34/971103234.db2.gz MFVYOQBHAKYJLY-UHFFFAOYSA-N -1 0 341.310 3.533 20 0 EHADRM O=C([O-])c1cccc(Cn2cc(C(F)(F)F)nc2-c2cccnc2)c1 ZINC001611556696 971105562 /nfs/dbraw/zinc/10/55/62/971105562.db2.gz TUZLJUDFFWTBOA-UHFFFAOYSA-N -1 0 347.296 3.710 20 0 EHADRM CCCc1ccc(NC(=O)NCCc2ccc(C(=O)[O-])cc2)cc1 ZINC000324667660 971145525 /nfs/dbraw/zinc/14/55/25/971145525.db2.gz JNAHRAFXFQDDRG-UHFFFAOYSA-N -1 0 326.396 3.702 20 0 EHADRM O=C([O-])[C@H](CNc1ccc([N+](=O)[O-])cc1C(F)F)c1ccccc1 ZINC000324736636 971152987 /nfs/dbraw/zinc/15/29/87/971152987.db2.gz LNANAYBWBGAXES-CYBMUJFWSA-N -1 0 336.294 3.813 20 0 EHADRM CCc1cccc(C)c1NC(=O)NCCc1ccccc1C(=O)[O-] ZINC000324923103 971170034 /nfs/dbraw/zinc/17/00/34/971170034.db2.gz LTGBWFNUNWYPRV-UHFFFAOYSA-N -1 0 326.396 3.620 20 0 EHADRM CC(C)[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000325224634 971194795 /nfs/dbraw/zinc/19/47/95/971194795.db2.gz AQHAKXRGPQOQFC-OWCLPIDISA-N -1 0 338.492 3.734 20 0 EHADRM Cc1cccc(CN(C)C(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC000325505269 971221569 /nfs/dbraw/zinc/22/15/69/971221569.db2.gz MXUOEJBRBUIXCN-UHFFFAOYSA-N -1 0 326.396 3.676 20 0 EHADRM N#Cc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])c1 ZINC000325535817 971225029 /nfs/dbraw/zinc/22/50/29/971225029.db2.gz INEUCYHAUIIVOY-UHFFFAOYSA-N -1 0 334.253 3.528 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)N2CC[C@@H]3CCCC[C@H]3C2)cc1F ZINC000325538855 971225258 /nfs/dbraw/zinc/22/52/58/971225258.db2.gz GORPFEVCEXOFEG-QWRGUYRKSA-N -1 0 338.354 3.707 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000325605933 971230829 /nfs/dbraw/zinc/23/08/29/971230829.db2.gz PONKSKKSNAJJRD-UHFFFAOYSA-N -1 0 344.798 3.937 20 0 EHADRM COc1ccc([C@H](C)NC(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000325648474 971233966 /nfs/dbraw/zinc/23/39/66/971233966.db2.gz KGFOFHWFXPQYEB-LBPRGKRZSA-N -1 0 328.368 3.585 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2cnc(Cl)c3ccccc23)c1 ZINC000326089332 971265626 /nfs/dbraw/zinc/26/56/26/971265626.db2.gz RYDNWPBELDXOIM-UHFFFAOYSA-N -1 0 340.766 3.516 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)C(C2CCC2)C2CCC2)c2ccccc21 ZINC000326348299 971284709 /nfs/dbraw/zinc/28/47/09/971284709.db2.gz XQVFPRQAVCJVAF-INIZCTEOSA-N -1 0 327.424 3.808 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)C(C2CCC2)C2CCC2)c2ccccc21 ZINC000326348302 971285145 /nfs/dbraw/zinc/28/51/45/971285145.db2.gz XQVFPRQAVCJVAF-MRXNPFEDSA-N -1 0 327.424 3.808 20 0 EHADRM CCc1ccc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)c(C(=O)[O-])c1 ZINC000326553448 971302770 /nfs/dbraw/zinc/30/27/70/971302770.db2.gz PEJOKAUUQXQJGA-MRXNPFEDSA-N -1 0 345.782 3.543 20 0 EHADRM CCOc1ccc(CC(=O)Nc2ccc(CC)cc2C(=O)[O-])cc1 ZINC000326753289 971325078 /nfs/dbraw/zinc/32/50/78/971325078.db2.gz LVVNNBDESROFAC-UHFFFAOYSA-N -1 0 327.380 3.527 20 0 EHADRM Cc1ccc(OCCCC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000326837722 971333546 /nfs/dbraw/zinc/33/35/46/971333546.db2.gz KNOHRQRBWBDOFQ-UHFFFAOYSA-N -1 0 341.407 3.511 20 0 EHADRM CCCOc1ccc(NC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000326912373 971344718 /nfs/dbraw/zinc/34/47/18/971344718.db2.gz NCBBOHZNQSLYET-CQSZACIVSA-N -1 0 348.443 3.830 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000327089761 971365662 /nfs/dbraw/zinc/36/56/62/971365662.db2.gz AQTSJLJKXFMGHC-MRXNPFEDSA-N -1 0 341.407 3.956 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000327118759 971368541 /nfs/dbraw/zinc/36/85/41/971368541.db2.gz RBOLRUXZXAKVOE-SJORKVTESA-N -1 0 340.379 3.854 20 0 EHADRM Cc1oc(CNC(=O)c2ccc(-c3ccccc3)cc2)cc1C(=O)[O-] ZINC000327132540 971369532 /nfs/dbraw/zinc/36/95/32/971369532.db2.gz QXAGOBCCQJHBPY-UHFFFAOYSA-N -1 0 335.359 3.883 20 0 EHADRM Cc1cccc(OCCCC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000327336952 971389461 /nfs/dbraw/zinc/38/94/61/971389461.db2.gz AMGLAFNSBAXWFP-UHFFFAOYSA-N -1 0 349.333 3.769 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)CCc2c[nH]c3ccccc23)c1 ZINC000327424540 971398109 /nfs/dbraw/zinc/39/81/09/971398109.db2.gz ZZNYVGKMSNZBRH-UHFFFAOYSA-N -1 0 336.391 3.756 20 0 EHADRM CCc1ccc(NC(=O)N(C)Cc2ccc(OC)cc2)c(C(=O)[O-])c1 ZINC000327837590 971428547 /nfs/dbraw/zinc/42/85/47/971428547.db2.gz OKDIUYRZATWIFO-UHFFFAOYSA-N -1 0 342.395 3.620 20 0 EHADRM CCc1ccc(NC(=O)CCOc2c(C)cccc2C)c(C(=O)[O-])c1 ZINC000327890358 971432318 /nfs/dbraw/zinc/43/23/18/971432318.db2.gz BNUSYVQXHWLMQL-UHFFFAOYSA-N -1 0 341.407 3.972 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)o1 ZINC000328304125 971461275 /nfs/dbraw/zinc/46/12/75/971461275.db2.gz VFBOIPUQRPMTGX-UHFFFAOYSA-N -1 0 349.648 3.782 20 0 EHADRM O=C([O-])COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000002545984 948765142 /nfs/dbraw/zinc/76/51/42/948765142.db2.gz GFQBLCHYJHFNDN-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM Cc1ccc(Br)cc1NC(=O)c1cccc(C(=O)[O-])c1 ZINC000037368840 948826523 /nfs/dbraw/zinc/82/65/23/948826523.db2.gz WLYXYSFAUBOMTQ-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM C[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)c1ccc(Br)cc1 ZINC000049527757 948910779 /nfs/dbraw/zinc/91/07/79/948910779.db2.gz GXSCKJLRJYATQI-SNVBAGLBSA-N -1 0 348.196 3.638 20 0 EHADRM CC[C@H](Nc1cccnc1Cl)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001589574229 948929248 /nfs/dbraw/zinc/92/92/48/948929248.db2.gz WQNCWPCLFXVRJF-ZDUSSCGKSA-N -1 0 347.802 3.571 20 0 EHADRM Cc1cc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c(Cl)cc1F ZINC000345807437 971520147 /nfs/dbraw/zinc/52/01/47/971520147.db2.gz PNJGSSIFRXWRQY-KMUNFCNLSA-N -1 0 339.794 3.645 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1sccc1C1CC1)CC2 ZINC000347396802 971525326 /nfs/dbraw/zinc/52/53/26/971525326.db2.gz LRCPXFSZKXBHAM-UHFFFAOYSA-N -1 0 327.405 3.522 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)cc1 ZINC000347136801 971521842 /nfs/dbraw/zinc/52/18/42/971521842.db2.gz OQNCOWSTIKOJGR-HZPDHXFCSA-N -1 0 329.783 3.709 20 0 EHADRM CCCC[C@H](NC(=O)[C@@H](SCc1ccccc1)C(C)C)C(=O)[O-] ZINC000347260301 971522182 /nfs/dbraw/zinc/52/21/82/971522182.db2.gz MGSSVYLEXNGXPS-HOTGVXAUSA-N -1 0 337.485 3.704 20 0 EHADRM CCCC[C@@H](NC(=O)c1cc(C2CC2)nc2ccc(C)cc21)C(=O)[O-] ZINC000347257966 971522237 /nfs/dbraw/zinc/52/22/37/971522237.db2.gz IZXLCFJRRJGBNN-QGZVFWFLSA-N -1 0 340.423 3.794 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000347336283 971524232 /nfs/dbraw/zinc/52/42/32/971524232.db2.gz BUFXGDZDOIVAKA-KRWDZBQOSA-N -1 0 349.386 3.874 20 0 EHADRM CCC[C@H](NC(=O)C1(Cc2cccc(Cl)c2)CCCC1)C(=O)[O-] ZINC000347387063 971524801 /nfs/dbraw/zinc/52/48/01/971524801.db2.gz QRDXOARKQPISPZ-HNNXBMFYSA-N -1 0 337.847 3.812 20 0 EHADRM O=C([O-])CN(Cc1ccccc1)C(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC000347372993 971525191 /nfs/dbraw/zinc/52/51/91/971525191.db2.gz RDPJIUWJFFVUJW-UHFFFAOYSA-N -1 0 342.782 3.548 20 0 EHADRM Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(C(=O)[O-])ccc3C)cc2)n1 ZINC000347426831 971526341 /nfs/dbraw/zinc/52/63/41/971526341.db2.gz VWPKPVOFASBZCH-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM Cc1[nH]c2c(cccc2C(=O)Nc2ccc(OCC(=O)[O-])cc2)c1C ZINC000347990869 971527057 /nfs/dbraw/zinc/52/70/57/971527057.db2.gz GSXINBDJJUCWKZ-UHFFFAOYSA-N -1 0 338.363 3.500 20 0 EHADRM O=C([O-])c1coc(C(=O)NCCC(c2ccccc2)c2ccccc2)c1 ZINC000352391657 971528691 /nfs/dbraw/zinc/52/86/91/971528691.db2.gz NCPMURXFAAFDCJ-UHFFFAOYSA-N -1 0 349.386 3.930 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)CC1(CC(=O)[O-])CCCC1)CCC2 ZINC000352206197 971529159 /nfs/dbraw/zinc/52/91/59/971529159.db2.gz LEUOOMFQCYSSKJ-KRWDZBQOSA-N -1 0 329.440 3.914 20 0 EHADRM C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000358610255 971532325 /nfs/dbraw/zinc/53/23/25/971532325.db2.gz QAAPJAZEBWORIY-SECBINFHSA-N -1 0 337.297 3.635 20 0 EHADRM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000358611904 971532718 /nfs/dbraw/zinc/53/27/18/971532718.db2.gz OZDWBZPNAUGLNK-VIFPVBQESA-N -1 0 337.297 3.635 20 0 EHADRM O=C([O-])CC1(NC(=O)/C=C/c2ccc(Cl)s2)CCCCC1 ZINC000084146540 949043668 /nfs/dbraw/zinc/04/36/68/949043668.db2.gz OFSHESKFWFGMDD-FNORWQNLSA-N -1 0 327.833 3.709 20 0 EHADRM Cc1oc(CNC(=O)c2oc3c(cccc3C)c2C)cc1C(=O)[O-] ZINC000362584755 971535801 /nfs/dbraw/zinc/53/58/01/971535801.db2.gz XXSQKNWBGYQYRZ-UHFFFAOYSA-N -1 0 327.336 3.579 20 0 EHADRM CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001589586895 949060695 /nfs/dbraw/zinc/06/06/95/949060695.db2.gz ZEYQKKWAUJUPGR-KBOKABMXSA-N -1 0 343.379 3.609 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(C(C)(F)F)cc2)C1 ZINC001589603468 949210318 /nfs/dbraw/zinc/21/03/18/949210318.db2.gz OFIUYYBODMTVHC-KRWDZBQOSA-N -1 0 325.355 3.515 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(Cl)c3ncccc23)C1 ZINC001589603474 949210446 /nfs/dbraw/zinc/21/04/46/949210446.db2.gz OGAHIMQCTJHJGE-SFHVURJKSA-N -1 0 346.814 3.605 20 0 EHADRM Cc1ccc(NC(=O)NC(C)(C)CCC(=O)[O-])cc1Br ZINC000109437686 949215122 /nfs/dbraw/zinc/21/51/22/949215122.db2.gz YYMOHAZXFRFQNN-UHFFFAOYSA-N -1 0 343.221 3.522 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cccc(OC(C)(C)C)c2)C1 ZINC001589604834 949234065 /nfs/dbraw/zinc/23/40/65/949234065.db2.gz MLLJINWLMJPGRW-LJQANCHMSA-N -1 0 333.428 3.581 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2(c3ccc(F)cc3F)CCCC2)nc1 ZINC001595235716 949394942 /nfs/dbraw/zinc/39/49/42/949394942.db2.gz DOSWUMDGIUELMF-UHFFFAOYSA-N -1 0 346.333 3.509 20 0 EHADRM CC[C@@H]1CCCC[C@H]1CNC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001589621597 949417685 /nfs/dbraw/zinc/41/76/85/949417685.db2.gz LQAPITXIINCXLG-VKJFTORMSA-N -1 0 344.455 3.596 20 0 EHADRM CC[C@@H]1CCc2c(sc(NC(=O)COC(C)(C)C)c2C(=O)[O-])C1 ZINC001589622358 949432395 /nfs/dbraw/zinc/43/23/95/949432395.db2.gz CDYPYODVBXGQOH-SNVBAGLBSA-N -1 0 339.457 3.715 20 0 EHADRM CCC[C@H](NC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)C1CCC1 ZINC001589633892 949582080 /nfs/dbraw/zinc/58/20/80/949582080.db2.gz ICMPEEQCAFQALF-IKGGRYGDSA-N -1 0 330.428 3.568 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC001595256277 949619915 /nfs/dbraw/zinc/61/99/15/949619915.db2.gz VNASNUFRIGSWNY-LLVKDONJSA-N -1 0 346.333 3.684 20 0 EHADRM CCCC[C@H](CC)CNC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589640896 949688032 /nfs/dbraw/zinc/68/80/32/949688032.db2.gz LTPUCCXHBODBKW-CBBWQLFWSA-N -1 0 326.481 3.637 20 0 EHADRM CCCCCCn1c(=O)c2ccccc2nc1S[C@@H](C)C(=O)[O-] ZINC001589645597 949731114 /nfs/dbraw/zinc/73/11/14/949731114.db2.gz IUJGBAAMNCBLQH-LBPRGKRZSA-N -1 0 334.441 3.542 20 0 EHADRM O=C([O-])c1cncc(NC(=O)N2CCC[C@H](C3CCCCC3)C2)c1 ZINC001595270609 949821409 /nfs/dbraw/zinc/82/14/09/949821409.db2.gz FCRHSTNFYMJHNN-AWEZNQCLSA-N -1 0 331.416 3.604 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)N1CCCC[C@@H]1c1ccccc1 ZINC001595272952 949856791 /nfs/dbraw/zinc/85/67/91/949856791.db2.gz BWTVGQBHWNTSRG-OAHLLOKOSA-N -1 0 325.368 3.539 20 0 EHADRM CCCCOc1ccc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000236669068 949932606 /nfs/dbraw/zinc/93/26/06/949932606.db2.gz NWJMEMIHWVGDCE-INIZCTEOSA-N -1 0 333.428 3.725 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000237932098 949981018 /nfs/dbraw/zinc/98/10/18/949981018.db2.gz IZOMBAMYFUPMJW-DJPFJPOOSA-N -1 0 341.451 3.527 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(COCC3CC3)c2)cc1 ZINC000238053084 949991095 /nfs/dbraw/zinc/99/10/95/949991095.db2.gz HUTGMCVABKLGKS-UHFFFAOYSA-N -1 0 325.364 3.564 20 0 EHADRM CCCOc1cc(OC)ccc1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001589680166 950037941 /nfs/dbraw/zinc/03/79/41/950037941.db2.gz PSTYECHNHXLFMB-UHFFFAOYSA-N -1 0 347.342 3.574 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000261822752 950048766 /nfs/dbraw/zinc/04/87/66/950048766.db2.gz WUBLBCPLEGGPRZ-UHFFFAOYSA-N -1 0 336.285 3.609 20 0 EHADRM C[C@@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC[C@H]1C(=O)[O-] ZINC000262829742 950171640 /nfs/dbraw/zinc/17/16/40/950171640.db2.gz CEBNPQYOQSZYIZ-CZUORRHYSA-N -1 0 349.858 3.721 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000262916367 950188495 /nfs/dbraw/zinc/18/84/95/950188495.db2.gz JBRGFHXXCCNLKE-ZYHUDNBSSA-N -1 0 341.860 3.635 20 0 EHADRM O=C([O-])CCNC(=O)N[C@H](CCCc1ccccc1)c1ccccc1 ZINC000262985439 950207481 /nfs/dbraw/zinc/20/74/81/950207481.db2.gz LGRXCEABAXYFOI-GOSISDBHSA-N -1 0 340.423 3.525 20 0 EHADRM C[C@H](C(=O)NCCC(C)(C)C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000263088422 950258307 /nfs/dbraw/zinc/25/83/07/950258307.db2.gz SMBNKYAZXSCNJU-VIFPVBQESA-N -1 0 332.227 3.714 20 0 EHADRM CCCn1ccc2ccc(NC(=O)N3C[C@H](C)C[C@H](C(=O)[O-])C3)cc21 ZINC000263115976 950271947 /nfs/dbraw/zinc/27/19/47/950271947.db2.gz LMAJIEIPZKAXDT-HIFRSBDPSA-N -1 0 343.427 3.626 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000263119257 950275023 /nfs/dbraw/zinc/27/50/23/950275023.db2.gz FAWRHAURHRQWLI-MAAHGYRXSA-N -1 0 337.419 3.655 20 0 EHADRM C[C@H](C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C)c1ccc2ccccc2c1 ZINC000263140356 950289653 /nfs/dbraw/zinc/28/96/53/950289653.db2.gz GPZQBQJERNRBPJ-QWQRMKEZSA-N -1 0 325.408 3.655 20 0 EHADRM CCN(C(=O)Nc1ccc(Oc2cccnc2)c(C)c1)[C@H](C)C(=O)[O-] ZINC001589707157 950304164 /nfs/dbraw/zinc/30/41/64/950304164.db2.gz NNTRRNBZOPNOGN-CYBMUJFWSA-N -1 0 343.383 3.509 20 0 EHADRM CCN(C(=O)c1coc(/C=C\C(=O)[O-])c1)c1nc2ccccc2s1 ZINC001589710993 950324712 /nfs/dbraw/zinc/32/47/12/950324712.db2.gz OFZSIYYLMNEWNL-FPLPWBNLSA-N -1 0 342.376 3.654 20 0 EHADRM C[C@@H](NC(=O)NCCCC(=O)[O-])c1ccc(Cl)c2ccccc21 ZINC000263276397 950347849 /nfs/dbraw/zinc/34/78/49/950347849.db2.gz SKDGOMIYLVSMEG-LLVKDONJSA-N -1 0 334.803 3.718 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)C1 ZINC000263363101 950402118 /nfs/dbraw/zinc/40/21/18/950402118.db2.gz SKOIRPJEQIXSIR-RPTUDFQQSA-N -1 0 337.419 3.513 20 0 EHADRM C[C@H](C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)c1ccc2ccccc2c1 ZINC000263365179 950407962 /nfs/dbraw/zinc/40/79/62/950407962.db2.gz SYFDEABJJFDQNV-QWQRMKEZSA-N -1 0 325.408 3.513 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263372176 950413499 /nfs/dbraw/zinc/41/34/99/950413499.db2.gz VRRUMPSDWJAFBY-GHMZBOCLSA-N -1 0 341.860 3.635 20 0 EHADRM O=C([O-])c1cccc(CNc2cccc(OC[C@@H]3CCCO3)c2)c1 ZINC000263444523 950468449 /nfs/dbraw/zinc/46/84/49/950468449.db2.gz FLGQRDKIAZJMDG-SFHVURJKSA-N -1 0 327.380 3.555 20 0 EHADRM CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)NCCCC(=O)[O-])cc1 ZINC000263475357 950482768 /nfs/dbraw/zinc/48/27/68/950482768.db2.gz MKCRRTSAOCHNSY-INIZCTEOSA-N -1 0 332.444 3.695 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NCCCCc1ccc(Cl)s1 ZINC001602851813 971686607 /nfs/dbraw/zinc/68/66/07/971686607.db2.gz CKRHHLOUXZGXKD-GFCCVEGCSA-N -1 0 331.865 3.587 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)NCC(c1ccccc1)c1ccccc1 ZINC001602852320 971689307 /nfs/dbraw/zinc/68/93/07/971689307.db2.gz LPHKPRPHWZGIAR-SFHVURJKSA-N -1 0 339.435 3.682 20 0 EHADRM O=C([O-])CCCCNC(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000316253021 950874687 /nfs/dbraw/zinc/87/46/87/950874687.db2.gz RAWRUVDCGZWMDR-UHFFFAOYSA-N -1 0 338.713 3.735 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)C(C)(C)c1ccc(F)cc1F)C(=O)[O-] ZINC001602859311 971709205 /nfs/dbraw/zinc/70/92/05/971709205.db2.gz GBBPPYHQCZQEQB-CQSZACIVSA-N -1 0 341.398 3.638 20 0 EHADRM C[C@H]1CCCN(C(=O)c2ccc(SC(F)(F)F)cc2)[C@@H]1C(=O)[O-] ZINC000324393977 951068120 /nfs/dbraw/zinc/06/81/20/951068120.db2.gz NBSKZFCSOAUJFW-CABZTGNLSA-N -1 0 347.358 3.624 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2ccc(OC(C)C)cc2)C1 ZINC000324944717 951077096 /nfs/dbraw/zinc/07/70/96/951077096.db2.gz YQQUBPHKIKKBLT-SFHVURJKSA-N -1 0 334.416 3.583 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000342552922 951131614 /nfs/dbraw/zinc/13/16/14/951131614.db2.gz ZXGRENYRKHDPGC-UHFFFAOYSA-N -1 0 332.331 3.597 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N3Cc4ccccc4[C@H](C(=O)[O-])C3)cc2c1C ZINC000347343208 951132491 /nfs/dbraw/zinc/13/24/91/951132491.db2.gz IVZMNEPYEULTIN-QGZVFWFLSA-N -1 0 348.402 3.609 20 0 EHADRM CC[C@H](NC(=O)c1cccc(OCC(=O)[O-])c1)c1cccc(Cl)c1 ZINC000345777433 951133569 /nfs/dbraw/zinc/13/35/69/951133569.db2.gz LLJGVDDHQBGINL-INIZCTEOSA-N -1 0 347.798 3.685 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2c[nH]cc2-c2ccccc2)Cc2ccccc21 ZINC000347338232 951133691 /nfs/dbraw/zinc/13/36/91/951133691.db2.gz CZOAVUPRJZIZCJ-IBGZPJMESA-N -1 0 346.386 3.506 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)Nc1ccc2c(c1)CCCC2=O)C(=O)[O-] ZINC001602861227 971718688 /nfs/dbraw/zinc/71/86/88/971718688.db2.gz NWOHLIDRXYTCFZ-OAHLLOKOSA-N -1 0 346.427 3.607 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)C[C@@H](c1ccc(O)cc1)C1CC1 ZINC001595008053 951227544 /nfs/dbraw/zinc/22/75/44/951227544.db2.gz BMGQEQBJMIMPFW-SJLPKXTDSA-N -1 0 345.439 3.522 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)N[C@@H]1CCCc2ccc(F)cc21 ZINC001595010955 951240735 /nfs/dbraw/zinc/24/07/35/951240735.db2.gz CQILILJONLUYRN-NVXWUHKLSA-N -1 0 348.418 3.632 20 0 EHADRM CCC(CC)(CNC(=O)N(Cc1cccs1)C(C)C)C(=O)[O-] ZINC000387561631 951318507 /nfs/dbraw/zinc/31/85/07/951318507.db2.gz KPMRYXUKSYGMRP-UHFFFAOYSA-N -1 0 326.462 3.559 20 0 EHADRM CCOc1ccc(C[C@@H](C)C(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC001592447117 951333302 /nfs/dbraw/zinc/33/33/02/951333302.db2.gz FBBKPGZGNZEOJH-CQSZACIVSA-N -1 0 341.407 3.530 20 0 EHADRM CCOc1ccc(Cl)c(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)c1 ZINC001592663424 951345748 /nfs/dbraw/zinc/34/57/48/951345748.db2.gz VQDJRIYKCCAQEI-AWEZNQCLSA-N -1 0 325.792 3.568 20 0 EHADRM O=C([O-])c1cccc(NC(=O)NCc2cccc(C(F)(F)F)c2)c1 ZINC000391672781 951400226 /nfs/dbraw/zinc/40/02/26/951400226.db2.gz WKHAWHZJQWRZMJ-UHFFFAOYSA-N -1 0 338.285 3.725 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C1CCC(C(F)(F)F)CC1 ZINC000392081161 951411744 /nfs/dbraw/zinc/41/17/44/951411744.db2.gz ZNIXENSBCUEZJY-XTNFGFQESA-N -1 0 347.377 3.599 20 0 EHADRM O=C([O-])CCC1CCN(Cc2c(F)cccc2Br)CC1 ZINC000394802452 951456393 /nfs/dbraw/zinc/45/63/93/951456393.db2.gz UUDITOMVXNEZPT-UHFFFAOYSA-N -1 0 344.224 3.665 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000398708928 951600727 /nfs/dbraw/zinc/60/07/27/951600727.db2.gz URMVLSAZQRWQAJ-DTWKUNHWSA-N -1 0 331.199 3.568 20 0 EHADRM O=C([O-])COc1cccc(C(=O)Oc2cc(Cl)cc(Cl)c2)c1 ZINC001595123597 951988995 /nfs/dbraw/zinc/98/89/95/951988995.db2.gz JJXOCTHUSXPCBC-UHFFFAOYSA-N -1 0 341.146 3.676 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)C[C@@H]2OCc3cc(Cl)ccc32)c1 ZINC001595129879 952027193 /nfs/dbraw/zinc/02/71/93/952027193.db2.gz DKEVNLNOKUIHEQ-INIZCTEOSA-N -1 0 345.782 3.567 20 0 EHADRM CCSCc1ccnc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)c1 ZINC001593597973 953385124 /nfs/dbraw/zinc/38/51/24/953385124.db2.gz ZETRQSGUMCWVEJ-UHFFFAOYSA-N -1 0 330.409 3.594 20 0 EHADRM CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)NCCCC(=O)[O-] ZINC000414625581 953402060 /nfs/dbraw/zinc/40/20/60/953402060.db2.gz KLLWOXGKDHTNQZ-UHFFFAOYSA-N -1 0 338.835 3.683 20 0 EHADRM CC[C@@H](NC(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1ccc(F)cc1 ZINC001593603216 953416804 /nfs/dbraw/zinc/41/68/04/953416804.db2.gz YLKBWGCHZKZFRN-HZPDHXFCSA-N -1 0 336.407 3.706 20 0 EHADRM CCC(CC)(CNC(=O)Nc1c(C)cccc1OC(F)F)C(=O)[O-] ZINC000424377927 953451115 /nfs/dbraw/zinc/45/11/15/953451115.db2.gz FJSWZLBBGXZPDS-UHFFFAOYSA-N -1 0 344.358 3.609 20 0 EHADRM CC(C)(C)Oc1cc(F)ccc1NC(=O)NCCC(C)(C)C(=O)[O-] ZINC000424379509 953451924 /nfs/dbraw/zinc/45/19/24/953451924.db2.gz IEVSODWRNPCSBO-UHFFFAOYSA-N -1 0 340.395 3.625 20 0 EHADRM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424401172 953464947 /nfs/dbraw/zinc/46/49/47/953464947.db2.gz YLSJWASULXVXQZ-LBPRGKRZSA-N -1 0 332.400 3.636 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N(C)Cc1cccc2ccccc21)C(=O)[O-] ZINC000424428945 953484223 /nfs/dbraw/zinc/48/42/23/953484223.db2.gz YNKUAKWWLRNIFM-KRWDZBQOSA-N -1 0 342.439 3.728 20 0 EHADRM CCC(CC)(CNC(=O)N(C)C/C(C)=C/c1ccccc1)C(=O)[O-] ZINC000424434132 953486721 /nfs/dbraw/zinc/48/67/21/953486721.db2.gz TUPSORANEAFJIW-NTCAYCPXSA-N -1 0 332.444 3.622 20 0 EHADRM CC(C)(NC(=O)c1ccc(Sc2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000431455980 953500203 /nfs/dbraw/zinc/50/02/03/953500203.db2.gz DIQANAHFENASHL-UHFFFAOYSA-N -1 0 339.800 3.677 20 0 EHADRM CC(C)C[C@@H](CNC(=O)CCc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000431546767 953503140 /nfs/dbraw/zinc/50/31/40/953503140.db2.gz WWCVQQWQWJTYCA-ZDUSSCGKSA-N -1 0 345.361 3.501 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)c1cc(F)c(F)cc1Cl)C(=O)[O-] ZINC000449133933 953510942 /nfs/dbraw/zinc/51/09/42/953510942.db2.gz FYRVVBSVYRPDLY-LBPRGKRZSA-N -1 0 333.762 3.628 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])cc1 ZINC000486016929 953531454 /nfs/dbraw/zinc/53/14/54/953531454.db2.gz MAJAAAFVGLOUBR-KUHUBIRLSA-N -1 0 337.419 3.563 20 0 EHADRM CCCn1ccc2cc(NC(=O)N([C@@H](C)C(=O)[O-])C3CC3)ccc21 ZINC000516842263 953541927 /nfs/dbraw/zinc/54/19/27/953541927.db2.gz VZIYAAVHTJJLTG-LBPRGKRZSA-N -1 0 329.400 3.521 20 0 EHADRM CCCn1ccc2ccc(NC(=O)N3CC[C@@H](C)[C@H](C(=O)[O-])C3)cc21 ZINC000519715749 953550176 /nfs/dbraw/zinc/55/01/76/953550176.db2.gz XQEANQGPBGCIRC-CZUORRHYSA-N -1 0 343.427 3.626 20 0 EHADRM C[C@](CNC(=O)c1ccc2sccc2c1)(C(=O)[O-])c1ccccc1 ZINC000521638934 953553840 /nfs/dbraw/zinc/55/38/40/953553840.db2.gz QLUDIQJANLZXBN-LJQANCHMSA-N -1 0 339.416 3.674 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1C(=O)Cc1coc2ccc3ccccc3c12 ZINC000531995701 953561760 /nfs/dbraw/zinc/56/17/60/953561760.db2.gz FHWNEUKYWFFPCY-INIZCTEOSA-N -1 0 337.375 3.594 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)cc1 ZINC000532555281 953562869 /nfs/dbraw/zinc/56/28/69/953562869.db2.gz ZESZLXMFVWVRLK-ZFWWWQNUSA-N -1 0 349.308 3.690 20 0 EHADRM C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@@H](CC(=O)[O-])C2)CC(C)(C)C1 ZINC001589285983 953571685 /nfs/dbraw/zinc/57/16/85/953571685.db2.gz KOURIUVKLYRVEL-OAGGEKHMSA-N -1 0 338.492 3.735 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)Nc2ccc(C3CC3)cc2F)cc1 ZINC001594772926 953574443 /nfs/dbraw/zinc/57/44/43/953574443.db2.gz IPNVLHOCKMNYGE-UHFFFAOYSA-N -1 0 328.343 3.723 20 0 EHADRM C[C@@H]1CCN(C(=O)C2CCC(c3ccccc3)CC2)C[C@H]1C(=O)[O-] ZINC000564977762 953609274 /nfs/dbraw/zinc/60/92/74/953609274.db2.gz IRWIZPLWAMACBQ-AGERRDQYSA-N -1 0 329.440 3.530 20 0 EHADRM CCc1ccc2c(c1)[C@@H](NC(=O)Nc1ccccc1C(=O)[O-])CCO2 ZINC001593639981 953635606 /nfs/dbraw/zinc/63/56/06/953635606.db2.gz DTLCOXXSAVHVOO-INIZCTEOSA-N -1 0 340.379 3.593 20 0 EHADRM CC(C)(NC(=O)c1cc2cc(C(F)(F)F)ccc2s1)C(=O)[O-] ZINC000570293246 953654059 /nfs/dbraw/zinc/65/40/59/953654059.db2.gz NDUNYHVNJFGLTC-UHFFFAOYSA-N -1 0 331.315 3.513 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N3CC[C@@H](C)[C@H](C(=O)[O-])C3)o2)cc1 ZINC000577221488 953693985 /nfs/dbraw/zinc/69/39/85/953693985.db2.gz RBCRGJMGOJKMOQ-CZUORRHYSA-N -1 0 341.407 3.692 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc(OC3CCCC3)cc2)C[C@@H]1C(=O)[O-] ZINC000583752982 953730046 /nfs/dbraw/zinc/73/00/46/953730046.db2.gz JEFHKDPIEUZFQL-DYVFJYSZSA-N -1 0 346.427 3.583 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1ccc(-c2ccc(Cl)s2)cn1 ZINC001594801896 953744815 /nfs/dbraw/zinc/74/48/15/953744815.db2.gz RPKURTBPCULUTL-VHSXEESVSA-N -1 0 336.800 3.513 20 0 EHADRM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)C1(C(=O)[O-])CCCCCC1 ZINC001589310538 953788234 /nfs/dbraw/zinc/78/82/34/953788234.db2.gz QXMZFWPFMAFLFS-NEPJUHHUSA-N -1 0 335.366 3.601 20 0 EHADRM CC(C)CC[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1)C(C)(C)C ZINC000626753590 953807558 /nfs/dbraw/zinc/80/75/58/953807558.db2.gz PMXPTPMDKNOUSD-KFWWJZLASA-N -1 0 326.481 3.590 20 0 EHADRM O=C([O-])[C@@H]1CCCN1Cc1coc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000629358685 953821916 /nfs/dbraw/zinc/82/19/16/953821916.db2.gz JXKPZQCSMQYTRM-ZDUSSCGKSA-N -1 0 341.194 3.697 20 0 EHADRM CC[C@@H](c1ccccc1OC)N(C)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000630295853 953850531 /nfs/dbraw/zinc/85/05/31/953850531.db2.gz NMBFKRMYVRMOFW-INIZCTEOSA-N -1 0 327.380 3.617 20 0 EHADRM C[C@H](C1CC1)N(C(=O)c1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000630307218 953853184 /nfs/dbraw/zinc/85/31/84/953853184.db2.gz UHIQAOVVQUYQEM-CQSZACIVSA-N -1 0 339.391 3.595 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccccc2OC2CCCC2)CC[C@@H]1C(=O)[O-] ZINC000630558909 953858127 /nfs/dbraw/zinc/85/81/27/953858127.db2.gz RYTTYDOPSPHQLQ-ZFWWWQNUSA-N -1 0 346.427 3.583 20 0 EHADRM C[C@H]1CCCN(C(=O)CCc2ccc(Cl)c(Cl)c2)[C@@H]1C(=O)[O-] ZINC001589326072 953912859 /nfs/dbraw/zinc/91/28/59/953912859.db2.gz PSQZSWKQDSIPMN-BONVTDFDSA-N -1 0 344.238 3.638 20 0 EHADRM Cc1ccc2cc(Cl)cc(C(=O)N3CCCC[C@H]3CC(=O)[O-])c2n1 ZINC000649247981 953988162 /nfs/dbraw/zinc/98/81/62/953988162.db2.gz TVFJVDWMUAYZTL-AWEZNQCLSA-N -1 0 346.814 3.666 20 0 EHADRM Cc1nc(-c2ccc(C(=O)N3CCCC[C@@H]3CC(=O)[O-])cc2)cs1 ZINC000653319266 954143584 /nfs/dbraw/zinc/14/35/84/954143584.db2.gz KNDNCNGVYXELJK-OAHLLOKOSA-N -1 0 344.436 3.588 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000653330193 954160080 /nfs/dbraw/zinc/16/00/80/954160080.db2.gz BJKWPPHMOGZMQG-MNEFBYGVSA-N -1 0 337.419 3.685 20 0 EHADRM CC(C)CN(C(=O)CCCCC(=O)[O-])[C@H]1CCCc2cccnc21 ZINC000655544609 954198681 /nfs/dbraw/zinc/19/86/81/954198681.db2.gz SBAGHYTUSHBNSL-INIZCTEOSA-N -1 0 332.444 3.589 20 0 EHADRM COc1ccc(C)cc1-c1csc(NC(=O)CCCCC(=O)[O-])n1 ZINC000655553309 954200020 /nfs/dbraw/zinc/20/00/20/954200020.db2.gz HVMKBVFNMIRCCG-UHFFFAOYSA-N -1 0 348.424 3.711 20 0 EHADRM CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000655568308 954205687 /nfs/dbraw/zinc/20/56/87/954205687.db2.gz GVQGPRFDPIOXTF-XQQFMLRXSA-N -1 0 344.238 3.570 20 0 EHADRM C[C@H](CNC(=O)N(Cc1ccccc1)[C@@H](C)c1ccccc1)C(=O)[O-] ZINC000655880548 954265750 /nfs/dbraw/zinc/26/57/50/954265750.db2.gz BPBIAEFLBQDOLV-CVEARBPZSA-N -1 0 340.423 3.680 20 0 EHADRM Cc1ccc([C@H]2CCCCN2C(=O)NC[C@H](C(=O)[O-])C(C)C)cc1 ZINC000655893474 954274646 /nfs/dbraw/zinc/27/46/46/954274646.db2.gz NYJMEUCGVTVMSY-DLBZAZTESA-N -1 0 332.444 3.588 20 0 EHADRM CSc1c(F)cccc1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000656604811 954305272 /nfs/dbraw/zinc/30/52/72/954305272.db2.gz LNORAJQCESEERH-UHFFFAOYSA-N -1 0 340.420 3.656 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC[C@@H]1C(=O)[O-] ZINC001589391030 954320386 /nfs/dbraw/zinc/32/03/86/954320386.db2.gz BMYQKOGPSXYQRB-WPRPVWTQSA-N -1 0 349.736 3.542 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc3cc(C(C)(C)C)ccc3[nH]2)CC[C@H]1C(=O)[O-] ZINC001589392713 954337757 /nfs/dbraw/zinc/33/77/57/954337757.db2.gz QNGFKPMZEUYOFP-IUODEOHRSA-N -1 0 342.439 3.648 20 0 EHADRM CN(CCN1C[C@H](CCC(=O)[O-])Cc2ccccc21)c1ccccc1 ZINC001593752140 954426849 /nfs/dbraw/zinc/42/68/49/954426849.db2.gz UIRMRTLKVAJROH-QGZVFWFLSA-N -1 0 338.451 3.667 20 0 EHADRM C[C@@H]1CN(c2nc3c(cc(Cl)cc3F)s2)CC[C@@H]1C(=O)[O-] ZINC001589406978 954469107 /nfs/dbraw/zinc/46/91/07/954469107.db2.gz NHSGZMFEWLWTGL-APPZFPTMSA-N -1 0 328.796 3.636 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)c1ccc(C(=O)NC(C)(C)C)cc1 ZINC001593759417 954470671 /nfs/dbraw/zinc/47/06/71/954470671.db2.gz QETCNOGXGWVFAC-UHFFFAOYSA-N -1 0 340.423 3.550 20 0 EHADRM O=C([O-])C1(c2noc(-c3ncoc3-c3ccccc3Cl)n2)CCC1 ZINC001594887040 954473902 /nfs/dbraw/zinc/47/39/02/954473902.db2.gz JAEFJBXNELALDW-UHFFFAOYSA-N -1 0 345.742 3.551 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)C2CCC(C3CC3)CC2)c2ccccc21 ZINC000663121260 954515700 /nfs/dbraw/zinc/51/57/00/954515700.db2.gz XBFQYBAEYYQOPC-GNNGFNCTSA-N -1 0 327.424 3.632 20 0 EHADRM C/C=C\COc1cccc(CC(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC001589419712 954586569 /nfs/dbraw/zinc/58/65/69/954586569.db2.gz GLPJYVSGNDPUFB-IHWYPQMZSA-N -1 0 343.354 3.660 20 0 EHADRM COc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000681680587 954598356 /nfs/dbraw/zinc/59/83/56/954598356.db2.gz ODIKWVTYSXEEQU-LLVKDONJSA-N -1 0 331.393 3.513 20 0 EHADRM CCO[C@H](CC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1)C(C)C ZINC000682187803 954601375 /nfs/dbraw/zinc/60/13/75/954601375.db2.gz OKJLYQGHCGPSDE-GOSISDBHSA-N -1 0 347.455 3.542 20 0 EHADRM CC[C@H](C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1ccc(OC)cc1 ZINC001589426767 954632129 /nfs/dbraw/zinc/63/21/29/954632129.db2.gz PWRZWWGGWIKEEB-JKSUJKDBSA-N -1 0 335.444 3.585 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1O ZINC000386124733 972031882 /nfs/dbraw/zinc/03/18/82/972031882.db2.gz BKIAJJWUCXTBOV-UHFFFAOYSA-N -1 0 340.162 3.578 20 0 EHADRM O=C([O-])[C@H]1CCCN(c2ccc(CNc3ccc4c(c3)CCC4)o2)C1 ZINC001594916964 954762964 /nfs/dbraw/zinc/76/29/64/954762964.db2.gz QMHJJZLQFSMMQI-INIZCTEOSA-N -1 0 340.423 3.681 20 0 EHADRM CC(C)C[C@@H](CNC(=O)CCc1cccc2ccccc21)C(=O)[O-] ZINC001603005175 972056138 /nfs/dbraw/zinc/05/61/38/972056138.db2.gz VSNLASPKQOTFDA-KRWDZBQOSA-N -1 0 327.424 3.636 20 0 EHADRM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1cccc2ccsc21 ZINC000386484114 972057514 /nfs/dbraw/zinc/05/75/14/972057514.db2.gz XGMZDJDOVGYHTG-INIZCTEOSA-N -1 0 337.400 3.553 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)OCc1oc(-c2ccccc2)nc1C ZINC001589484137 954991256 /nfs/dbraw/zinc/99/12/56/954991256.db2.gz UEDJLWKDFOIXIF-UHFFFAOYSA-N -1 0 331.368 3.584 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)N[C@@H](CC2CC2)c2ccccc2)co1 ZINC001594964897 955041075 /nfs/dbraw/zinc/04/10/75/955041075.db2.gz BLFOATKASLXNBQ-IJDCCNJMSA-N -1 0 325.364 3.649 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)NCC2(Cc3ccccc3)CCC2)co1 ZINC001594969310 955090347 /nfs/dbraw/zinc/09/03/47/955090347.db2.gz GPEYNMMDDMSQPV-FPLPWBNLSA-N -1 0 339.391 3.520 20 0 EHADRM CC[C@@H](CNC(=O)Nc1ccc(-c2ccccc2)cc1F)C(=O)[O-] ZINC001589538339 955179785 /nfs/dbraw/zinc/17/97/85/955179785.db2.gz SBTOCXXENPRPHQ-LBPRGKRZSA-N -1 0 330.359 3.725 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2Cl)C1 ZINC000386749939 972077307 /nfs/dbraw/zinc/07/73/07/972077307.db2.gz BPDNSRZIYAQEKC-JTQLQIEISA-N -1 0 328.771 3.588 20 0 EHADRM C[C@@H](CCc1ccc(F)cc1)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001589016953 955445341 /nfs/dbraw/zinc/44/53/41/955445341.db2.gz WFDSIPWPXHQABL-AWEZNQCLSA-N -1 0 335.419 3.688 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)Nc2cccc(SC(F)F)c2)CC1 ZINC000843318225 955625290 /nfs/dbraw/zinc/62/52/90/955625290.db2.gz CMFVULDSZQKFGC-UHFFFAOYSA-N -1 0 344.383 3.720 20 0 EHADRM CC(C)(CCNC(=O)c1cccc(SC(F)(F)F)c1)C(=O)[O-] ZINC000851607895 955788409 /nfs/dbraw/zinc/78/84/09/955788409.db2.gz VGIRQLQOUIBSTB-UHFFFAOYSA-N -1 0 335.347 3.529 20 0 EHADRM O=C([O-])c1ccc(F)c(COc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000387579695 972128581 /nfs/dbraw/zinc/12/85/81/972128581.db2.gz YTAWKBPUNORWLQ-UHFFFAOYSA-N -1 0 325.679 3.665 20 0 EHADRM Cc1ccc(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)cc1Cl ZINC000387734651 972135556 /nfs/dbraw/zinc/13/55/56/972135556.db2.gz WZIULMPQSUOGCN-UHFFFAOYSA-N -1 0 325.698 3.877 20 0 EHADRM C[C@@H](NC(=O)C1(C(=O)[O-])CCCCC1)c1nc(C(C)(C)C)cs1 ZINC001589089680 955924603 /nfs/dbraw/zinc/92/46/03/955924603.db2.gz JPMFDTMCHBZOGI-LLVKDONJSA-N -1 0 338.473 3.653 20 0 EHADRM CC(C)Oc1ccccc1[C@@H](C)NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000864124708 955952226 /nfs/dbraw/zinc/95/22/26/955952226.db2.gz FZCNRVMKHCVRHI-PRWOLLLXSA-N -1 0 343.379 3.656 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)/C=C\c1csc(C(F)(F)F)c1 ZINC000864133533 955957800 /nfs/dbraw/zinc/95/78/00/955957800.db2.gz RSOOLJHNBUKKMG-DOGVGXBMSA-N -1 0 347.358 3.636 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000864137310 955959493 /nfs/dbraw/zinc/95/94/93/955959493.db2.gz SOMWPDMUQAMTEL-MCTUQULKSA-N -1 0 343.354 3.665 20 0 EHADRM Cc1cc([C@H](NC(=O)/C=C/c2ccc(C(=O)[O-])o2)C2CC2)ccc1F ZINC000864153052 955970106 /nfs/dbraw/zinc/97/01/06/955970106.db2.gz WSQLTODHIQQALD-AHKGRUIUSA-N -1 0 343.354 3.706 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cccc(SC(F)F)c2)CC[C@@H]1C(=O)[O-] ZINC000864592596 955999150 /nfs/dbraw/zinc/99/91/50/955999150.db2.gz YOERWPCDLZSQGQ-CABZTGNLSA-N -1 0 344.383 3.576 20 0 EHADRM CO[C@H](CC(C)C)C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001593938162 956244166 /nfs/dbraw/zinc/24/41/66/956244166.db2.gz KHTNUNOFUVIUKY-ZYHUDNBSSA-N -1 0 339.457 3.571 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1c1nc(-c2ccncc2)nc2ccccc21 ZINC000886914464 956247874 /nfs/dbraw/zinc/24/78/74/956247874.db2.gz YJOVLKOZMARNTQ-HNNXBMFYSA-N -1 0 348.406 3.525 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N([C@H](C)C(=O)[O-])C2CC2)c(Cl)c1 ZINC000900342363 956293922 /nfs/dbraw/zinc/29/39/22/956293922.db2.gz OGZMJENSRJSUNZ-SNVBAGLBSA-N -1 0 340.807 3.597 20 0 EHADRM C[C@H](SCC(=O)Nc1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC001589170018 956467461 /nfs/dbraw/zinc/46/74/61/956467461.db2.gz WPZNQAUFXWVFSR-LBPRGKRZSA-N -1 0 331.393 3.624 20 0 EHADRM CCCNc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC000901797761 956474278 /nfs/dbraw/zinc/47/42/78/956474278.db2.gz DIHXICQNCXKWLJ-GHMZBOCLSA-N -1 0 344.333 3.577 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NCc1ccc(-c2ccccc2)s1 ZINC001589217460 956735621 /nfs/dbraw/zinc/73/56/21/956735621.db2.gz LFVZGKIYLUGLDT-GOSISDBHSA-N -1 0 329.421 3.532 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)NCCCC(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001589224002 956780470 /nfs/dbraw/zinc/78/04/70/956780470.db2.gz GFLNIJYLDQIYAX-HZPDHXFCSA-N -1 0 332.444 3.513 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)[C@H]2CC[C@H]2C(=O)[O-])[C@H](c2ccccc2)C1 ZINC001589225295 956788392 /nfs/dbraw/zinc/78/83/92/956788392.db2.gz WMPNWZFXHPIRSO-VVLHAWIVSA-N -1 0 329.440 3.576 20 0 EHADRM C[C@H](Cc1ccco1)C(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21 ZINC000902820955 956809442 /nfs/dbraw/zinc/80/94/42/956809442.db2.gz VOKYKOFROHOVLT-CABCVRRESA-N -1 0 341.407 3.529 20 0 EHADRM Cn1c(SCc2cccc(C(=O)[O-])c2)nnc1-c1ccccc1F ZINC000013061958 956922313 /nfs/dbraw/zinc/92/23/13/956922313.db2.gz XRXBOZOXWHHRGZ-UHFFFAOYSA-N -1 0 343.383 3.612 20 0 EHADRM C[C@]1(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)C[C@H]2C[C@H]2C1 ZINC001589246275 956924576 /nfs/dbraw/zinc/92/45/76/956924576.db2.gz BYPBNRLNDZSJDA-HQJPKXNMSA-N -1 0 340.782 3.735 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ccc(F)cc1 ZINC001594716607 956936576 /nfs/dbraw/zinc/93/65/76/956936576.db2.gz YDEBXQYNORVSFR-MMTVNHQJSA-N -1 0 333.403 3.674 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC001603135806 972227836 /nfs/dbraw/zinc/22/78/36/972227836.db2.gz KXGXKTLVEPEFBT-QRWLVFNGSA-N -1 0 329.440 3.670 20 0 EHADRM COc1ccccc1CCC(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000013167980 956950271 /nfs/dbraw/zinc/95/02/71/956950271.db2.gz SFAYFEDKHQCIHW-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM CC[C@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1)c1ccccc1 ZINC000013179075 956962433 /nfs/dbraw/zinc/96/24/33/956962433.db2.gz QVMXNGPNELNEGA-ZWKOTPCHSA-N -1 0 325.408 3.821 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1c(Cl)cccc1OCC1CC1 ZINC000907581258 956975913 /nfs/dbraw/zinc/97/59/13/956975913.db2.gz HYIZQQPZWSMMAN-UHFFFAOYSA-N -1 0 339.819 3.504 20 0 EHADRM O=C([O-])C1CCC(NC(=O)c2cc(-n3cccc3)ccc2Cl)CC1 ZINC000907585207 956976992 /nfs/dbraw/zinc/97/69/92/956976992.db2.gz AAPJNSIKLRKXOU-UHFFFAOYSA-N -1 0 346.814 3.504 20 0 EHADRM CCCCCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000013250680 956991610 /nfs/dbraw/zinc/99/16/10/956991610.db2.gz XGFCAYHPCZHOBL-CYBMUJFWSA-N -1 0 341.473 3.639 20 0 EHADRM Cc1ccsc1CCCC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000909031257 956997476 /nfs/dbraw/zinc/99/74/76/956997476.db2.gz AGYLCWMFRIJUGQ-SFHVURJKSA-N -1 0 343.448 3.590 20 0 EHADRM C[C@@H](CCC(C)(C)C)NC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001603142633 972235107 /nfs/dbraw/zinc/23/51/07/972235107.db2.gz RRVGEPMBNHMFMC-IFXJQAMLSA-N -1 0 334.460 3.543 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1cccs1 ZINC000013388868 957041262 /nfs/dbraw/zinc/04/12/62/957041262.db2.gz HAQLJQGCMIDXEL-OQHXTRMZSA-N -1 0 335.812 3.747 20 0 EHADRM CCc1ccc(CCC(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000013389707 957042293 /nfs/dbraw/zinc/04/22/93/957042293.db2.gz LUJXBGGDMYODQA-OAHLLOKOSA-N -1 0 331.437 3.575 20 0 EHADRM CSc1ccccc1C(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000013428765 957068060 /nfs/dbraw/zinc/06/80/60/957068060.db2.gz HRBKDWQYXROOBC-UHFFFAOYSA-N -1 0 329.421 3.526 20 0 EHADRM CC[C@H](C(=O)N(CCC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC000013429157 957069383 /nfs/dbraw/zinc/06/93/83/957069383.db2.gz SICLUOQIEORHMG-SFHVURJKSA-N -1 0 325.408 3.684 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)CCc1ccc(Cl)cc1 ZINC000013429433 957069853 /nfs/dbraw/zinc/06/98/53/957069853.db2.gz NYZWBTLDFWHZMP-UHFFFAOYSA-N -1 0 345.826 3.776 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)NCCc3ccc(C(=O)[O-])cc3)cc2C1 ZINC000013442201 957083148 /nfs/dbraw/zinc/08/31/48/957083148.db2.gz YECIMBLEYAJZOJ-GFCCVEGCSA-N -1 0 343.448 3.544 20 0 EHADRM O=C([O-])c1cc(NC(=O)NC[C@H]2CCCCC2(F)F)ccc1Cl ZINC000389690808 972240696 /nfs/dbraw/zinc/24/06/96/972240696.db2.gz JKXUXBRMUGINHZ-SECBINFHSA-N -1 0 346.761 3.985 20 0 EHADRM CCCCN(C(=O)c1ccc(C(=O)[O-])nc1)[C@@H](C)c1ccc(C)o1 ZINC000914519500 957093640 /nfs/dbraw/zinc/09/36/40/957093640.db2.gz MZWMSPUFNNTPPQ-ZDUSSCGKSA-N -1 0 330.384 3.685 20 0 EHADRM O=C([O-])c1ccc(CNC(=S)Nc2ccc(F)c(Cl)c2)cc1 ZINC000013813170 957095658 /nfs/dbraw/zinc/09/56/58/957095658.db2.gz XTQQXLXMZMTROQ-UHFFFAOYSA-N -1 0 338.791 3.664 20 0 EHADRM CCc1onc(C)c1CN1C[C@H](CCC(=O)[O-])Cc2ccccc21 ZINC000923266200 957109506 /nfs/dbraw/zinc/10/95/06/957109506.db2.gz IBHBAGMLXNZWAA-CQSZACIVSA-N -1 0 328.412 3.589 20 0 EHADRM CC(C)Oc1ccccc1/C=C/C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000028700102 957165317 /nfs/dbraw/zinc/16/53/17/957165317.db2.gz PSUIKSHOVWWHJC-FMIVXFBMSA-N -1 0 340.375 3.833 20 0 EHADRM C[C@@H](SCC(=O)Nc1cc(Cl)c(Cl)cc1Cl)C(=O)[O-] ZINC000037405605 957277631 /nfs/dbraw/zinc/27/76/31/957277631.db2.gz BDKSKAKCIKPWMB-RXMQYKEDSA-N -1 0 342.631 3.792 20 0 EHADRM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccsc1C(=O)[O-] ZINC000037451837 957297977 /nfs/dbraw/zinc/29/79/77/957297977.db2.gz IJFWOMQMGLZVIL-MRVPVSSYSA-N -1 0 325.773 3.506 20 0 EHADRM Cc1ccc(NC(=O)c2cc(Cl)c(Cl)n2C)c(C(=O)[O-])c1 ZINC000037453753 957300698 /nfs/dbraw/zinc/30/06/98/957300698.db2.gz DQJWCWRKYBVRJY-UHFFFAOYSA-N -1 0 327.167 3.591 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl ZINC001603167105 972264917 /nfs/dbraw/zinc/26/49/17/972264917.db2.gz XYYXOCIFQODIJY-SKDRFNHKSA-N -1 0 332.227 3.570 20 0 EHADRM C[C@](CNC(=O)/C(F)=C/C1CCCCC1)(C(=O)[O-])c1ccccc1 ZINC001603168103 972266694 /nfs/dbraw/zinc/26/66/94/972266694.db2.gz KUVSHHKVNVDHCH-KVVHSQDJSA-N -1 0 333.403 3.579 20 0 EHADRM C[C@H](Oc1ccccc1F)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000390288277 972273750 /nfs/dbraw/zinc/27/37/50/972273750.db2.gz GMFFGTIEJDSIFM-VIFPVBQESA-N -1 0 337.734 3.583 20 0 EHADRM CCN(C(=O)CCSc1ccc(Cl)cc1)C(C)(C)C(=O)[O-] ZINC000061149528 957574562 /nfs/dbraw/zinc/57/45/62/957574562.db2.gz QLZIIGDDBSXGEQ-UHFFFAOYSA-N -1 0 329.849 3.534 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)c1ccc3ncsc3c1)CCC2 ZINC000390356674 972278234 /nfs/dbraw/zinc/27/82/34/972278234.db2.gz ZMBKRPCNDAWUFH-UHFFFAOYSA-N -1 0 344.417 3.797 20 0 EHADRM O=C([O-])c1ccc(OC(=O)c2ccc(F)cc2)c(Br)c1 ZINC000066144887 957643877 /nfs/dbraw/zinc/64/38/77/957643877.db2.gz DKFVORXEGSYIGN-UHFFFAOYSA-N -1 0 339.116 3.506 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N[C@H]1CCCc2c(F)cccc21 ZINC001574738605 957679573 /nfs/dbraw/zinc/67/95/73/957679573.db2.gz VFGMOPLTFNODBV-KRWDZBQOSA-N -1 0 342.370 3.652 20 0 EHADRM O=C([O-])c1nn(-c2ccccc2)cc1OCc1cccc(Cl)c1 ZINC000390427621 972284035 /nfs/dbraw/zinc/28/40/35/972284035.db2.gz RBFRRWRAZKDNES-UHFFFAOYSA-N -1 0 328.755 3.803 20 0 EHADRM Cc1sc(-c2ccco2)nc1C(=O)Nc1ccccc1C(=O)[O-] ZINC000390430633 972284698 /nfs/dbraw/zinc/28/46/98/972284698.db2.gz SFFHCZVKLSWRHJ-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CC[C@H](C(F)(F)F)c3ccccc32)C1 ZINC001574761382 957737614 /nfs/dbraw/zinc/73/76/14/957737614.db2.gz RJDNMRJAAWWIDY-LOWVWBTDSA-N -1 0 341.329 3.570 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000075288828 957744155 /nfs/dbraw/zinc/74/41/55/957744155.db2.gz QFMYUEAOADUKGF-UHFFFAOYSA-N -1 0 345.782 3.948 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NC2CCC(F)(F)CC2)cc1Cl ZINC000390498326 972289638 /nfs/dbraw/zinc/28/96/38/972289638.db2.gz NLJFKEZIRVNJHX-UHFFFAOYSA-N -1 0 332.734 3.738 20 0 EHADRM C[C@](CNC(=O)c1cccc2ccsc21)(C(=O)[O-])c1ccccc1 ZINC001603191550 972292108 /nfs/dbraw/zinc/29/21/08/972292108.db2.gz VWECKMFJVYGZFX-LJQANCHMSA-N -1 0 339.416 3.674 20 0 EHADRM C[C@@](CNC(=O)c1cccc2ccsc21)(C(=O)[O-])c1ccccc1 ZINC001603191549 972292178 /nfs/dbraw/zinc/29/21/78/972292178.db2.gz VWECKMFJVYGZFX-IBGZPJMESA-N -1 0 339.416 3.674 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@H](C)c2ccc3c(c2)CCCO3)c1 ZINC001594286487 957783794 /nfs/dbraw/zinc/78/37/94/957783794.db2.gz QFWUZHMTDOCCID-CYBMUJFWSA-N -1 0 339.391 3.509 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CC3(CCCC3)[C@@H]2c2ccccc2)nc1 ZINC001574791238 957813375 /nfs/dbraw/zinc/81/33/75/957813375.db2.gz RQNXZZKSMHMCPZ-KRWDZBQOSA-N -1 0 336.391 3.537 20 0 EHADRM C[C@H](CNc1cnn(CC(=O)[O-])c1)Cc1ccc(C(C)(C)C)cc1 ZINC001603193733 972299220 /nfs/dbraw/zinc/29/92/20/972299220.db2.gz SLWMJXMKUHBRNT-AWEZNQCLSA-N -1 0 329.444 3.556 20 0 EHADRM O=C([O-])c1cccc(NC(=O)NCCCCOCc2ccccc2)c1 ZINC000390573286 972294351 /nfs/dbraw/zinc/29/43/51/972294351.db2.gz VMKBBSKLECHFCR-UHFFFAOYSA-N -1 0 342.395 3.503 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)O[C@H]2c3ccccc3OC[C@@H]2C)c1 ZINC001594289694 957818064 /nfs/dbraw/zinc/81/80/64/957818064.db2.gz YFXQSYWCXCQLGJ-YVEFUNNKSA-N -1 0 326.348 3.620 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N(Cc2ccccc2F)C2CCC2)o1 ZINC001574799288 957829633 /nfs/dbraw/zinc/82/96/33/957829633.db2.gz FMAIJUBKTQARHU-PKNBQFBNSA-N -1 0 343.354 3.711 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2ccc(F)c(Cl)c2F)cc1 ZINC001574802612 957842265 /nfs/dbraw/zinc/84/22/65/957842265.db2.gz LIKIWIYPCUCNAT-UHFFFAOYSA-N -1 0 326.682 3.673 20 0 EHADRM Cc1cc(C)c2c(c1)CCN(C(=O)Nc1ccccc1CC(=O)[O-])C2 ZINC001594294417 957860939 /nfs/dbraw/zinc/86/09/39/957860939.db2.gz LUDNHWPEMYEGJP-UHFFFAOYSA-N -1 0 338.407 3.521 20 0 EHADRM C[C@@H](CSCc1ccccc1)c1nc(C2(C(=O)[O-])CCC2)no1 ZINC001603199903 972305703 /nfs/dbraw/zinc/30/57/03/972305703.db2.gz TYRVVFUGWQHROR-LBPRGKRZSA-N -1 0 332.425 3.613 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CCCc2ccc(Cl)c(F)c21 ZINC001574811066 957878859 /nfs/dbraw/zinc/87/88/59/957878859.db2.gz VSIOXRKCZJNSHL-UHFFFAOYSA-N -1 0 347.773 3.699 20 0 EHADRM O=C([O-])c1cccnc1NC(=O)c1nc(-c2ccccc2)oc1C1CC1 ZINC001574820476 957907940 /nfs/dbraw/zinc/90/79/40/957907940.db2.gz QLZGEUJZVHUMMR-UHFFFAOYSA-N -1 0 349.346 3.565 20 0 EHADRM C[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC001603199552 972303114 /nfs/dbraw/zinc/30/31/14/972303114.db2.gz MVHLAHSWKIVZIZ-LBPRGKRZSA-N -1 0 345.420 3.598 20 0 EHADRM C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC001603199818 972305069 /nfs/dbraw/zinc/30/50/69/972305069.db2.gz NIJJVLWOTYIQHK-XXFAHNHDSA-N -1 0 344.238 3.542 20 0 EHADRM CCN(C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)C1CCCCC1 ZINC001340586533 957943940 /nfs/dbraw/zinc/94/39/40/957943940.db2.gz WRJADMVFADRNAG-DLBZAZTESA-N -1 0 330.428 3.664 20 0 EHADRM Cc1cc(F)ccc1NCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001594310084 958002197 /nfs/dbraw/zinc/00/21/97/958002197.db2.gz AWILSWCLBGYQFG-CYBMUJFWSA-N -1 0 332.375 3.640 20 0 EHADRM COc1cc(Cl)c(C)cc1NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001594058724 958068202 /nfs/dbraw/zinc/06/82/02/958068202.db2.gz LEZZGNBLORSTOZ-GQCTYLIASA-N -1 0 335.743 3.600 20 0 EHADRM CC(C)CC(C)(C)CNC(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000391100755 972316901 /nfs/dbraw/zinc/31/69/01/972316901.db2.gz FHYVOCOWFUUJSY-UHFFFAOYSA-N -1 0 332.444 3.525 20 0 EHADRM Cc1cc(NC(=O)C[C@H]2CSc3ccccc3O2)ccc1C(=O)[O-] ZINC001594317311 958082017 /nfs/dbraw/zinc/08/20/17/958082017.db2.gz ZOGSRFAFLWFXFT-ZDUSSCGKSA-N -1 0 343.404 3.575 20 0 EHADRM COc1cc(NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c(C)cc1C ZINC001594064183 958123564 /nfs/dbraw/zinc/12/35/64/958123564.db2.gz WWWUSLMREWYKHZ-ZDUSSCGKSA-N -1 0 336.432 3.713 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)c2ccc(F)c(Cl)c2)c2ccccc21 ZINC000391227035 972325065 /nfs/dbraw/zinc/32/50/65/972325065.db2.gz NBTKYJRRGZOYON-LBPRGKRZSA-N -1 0 333.746 3.698 20 0 EHADRM CC[C@@H](CNC(=O)N(C)Cc1ccccc1-c1ccccc1)C(=O)[O-] ZINC001521226609 958226791 /nfs/dbraw/zinc/22/67/91/958226791.db2.gz MQLGZRQIYLEYKA-HNNXBMFYSA-N -1 0 340.423 3.606 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3CCC[C@@H](CC(=O)[O-])C3)s2)o1 ZINC001594333797 958249099 /nfs/dbraw/zinc/24/90/99/958249099.db2.gz CGMPPNSBXAFHGE-LBPRGKRZSA-N -1 0 333.409 3.643 20 0 EHADRM Cc1ccc(-c2nc3ccccc3c(N3CC[C@H](C(=O)[O-])C3)n2)s1 ZINC001594335387 958259085 /nfs/dbraw/zinc/25/90/85/958259085.db2.gz QIZNQHJEUHHKMQ-LBPRGKRZSA-N -1 0 339.420 3.578 20 0 EHADRM Cc1ccc(-c2csc(NC(=O)[C@@]3(C(=O)[O-])CC3(C)C)n2)cc1 ZINC001594336132 958267196 /nfs/dbraw/zinc/26/71/96/958267196.db2.gz YWZPZABLXFXWOM-QGZVFWFLSA-N -1 0 330.409 3.558 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2cccnc2C(=O)[O-])c1 ZINC001594349545 958336207 /nfs/dbraw/zinc/33/62/07/958336207.db2.gz KLVOFKICIDJRSW-ZDUSSCGKSA-N -1 0 342.395 3.618 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC001594350152 958344388 /nfs/dbraw/zinc/34/43/88/958344388.db2.gz TVTNLXJNYMRGPP-WBVHZDCISA-N -1 0 347.455 3.742 20 0 EHADRM COc1ccc(CN(C(=O)Nc2cccc(C(=O)[O-])c2)C2CC2)cc1 ZINC001594091700 958350644 /nfs/dbraw/zinc/35/06/44/958350644.db2.gz WMGRBZQHFVYWDF-UHFFFAOYSA-N -1 0 340.379 3.590 20 0 EHADRM Cc1cc(C(=O)N2CCc3c(cccc3C(=O)[O-])C2)ccc1Cl ZINC000391499342 972341684 /nfs/dbraw/zinc/34/16/84/972341684.db2.gz FLCFQJQJBKFARG-UHFFFAOYSA-N -1 0 329.783 3.545 20 0 EHADRM Cc1ccc(CNC(=O)[C@@H](C(=O)[O-])C2CCCC2)c(OC(C)(C)C)c1 ZINC001594358935 958432666 /nfs/dbraw/zinc/43/26/66/958432666.db2.gz YAPBJZVZLXESAQ-KRWDZBQOSA-N -1 0 347.455 3.680 20 0 EHADRM Cc1ccc(F)c2oc(C(=O)N[C@@H](C(=O)[O-])c3ccc(F)cc3)cc21 ZINC001594364816 958483173 /nfs/dbraw/zinc/48/31/73/958483173.db2.gz HWNPYCBBPKGVQX-OAHLLOKOSA-N -1 0 345.301 3.575 20 0 EHADRM Cc1ccc(SC2(C(=O)N(CC(=O)[O-])CC3CC3)CCCC2)cc1 ZINC001594378768 958613208 /nfs/dbraw/zinc/61/32/08/958613208.db2.gz NWAULEBPQOQJMI-UHFFFAOYSA-N -1 0 347.480 3.723 20 0 EHADRM C[C@]12CC3CC(C(=O)Nc4ccc(C(=O)[O-])cn4)(C1)C[C@@](C)(C3)C2 ZINC000391729796 972362565 /nfs/dbraw/zinc/36/25/65/972362565.db2.gz UROZIXJUSYKWGS-CMXJYWLISA-N -1 0 328.412 3.715 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)Nc1ccccc1-c1nc2cc(Cl)ccc2[nH]1 ZINC001573371956 958628411 /nfs/dbraw/zinc/62/84/11/958628411.db2.gz BTTVAWXGLZUPNF-VIFPVBQESA-N -1 0 343.770 3.543 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)N1CCC[C@H](CCC(=O)[O-])C1)[C@H](C)C2 ZINC001594381859 958636036 /nfs/dbraw/zinc/63/60/36/958636036.db2.gz HSLPYPNVYKRXOD-CLCXKQKWSA-N -1 0 344.455 3.515 20 0 EHADRM Cc1ccc2c(CCC(=O)NC[C@H](CC(=O)[O-])CC(C)C)c[nH]c2c1 ZINC001594381991 958639029 /nfs/dbraw/zinc/63/90/29/958639029.db2.gz LNNZTKYEMJBLJI-HNNXBMFYSA-N -1 0 344.455 3.662 20 0 EHADRM C/C(=C\c1ccccc1)CN(C)C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001588489247 958642540 /nfs/dbraw/zinc/64/25/40/958642540.db2.gz ZEXHLUMGYMGIGM-MYSCJDEHSA-N -1 0 325.364 3.553 20 0 EHADRM Cc1ccc2ccccc2c1S(=O)(=O)Oc1ccccc1C(=O)[O-] ZINC001594382877 958648882 /nfs/dbraw/zinc/64/88/82/958648882.db2.gz LPYRXPMZWMALNH-UHFFFAOYSA-N -1 0 342.372 3.614 20 0 EHADRM Cc1ccc2ccc(OC(=O)C3(C(=O)[O-])CCSCC3)cc2c1 ZINC001594382891 958649508 /nfs/dbraw/zinc/64/95/08/958649508.db2.gz NDJPMQZLINYKTH-UHFFFAOYSA-N -1 0 330.405 3.652 20 0 EHADRM Cc1cc(Cl)c(NC(=O)N2CCC[C@@H]2CC(=O)[O-])cc1Cl ZINC000128360921 958660937 /nfs/dbraw/zinc/66/09/37/958660937.db2.gz ZZNSVJXEBXUEEI-SECBINFHSA-N -1 0 331.199 3.773 20 0 EHADRM Cc1ccc(NC(=O)CCc2ccc([C@H]3C[C@H]3C)o2)c(C(=O)[O-])c1 ZINC000391776894 972370223 /nfs/dbraw/zinc/37/02/23/972370223.db2.gz NVFIOJAFNWKHGO-OCCSQVGLSA-N -1 0 327.380 3.981 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)CCCc1ccc(F)c(F)c1)C(=O)[O-] ZINC001573395952 958717529 /nfs/dbraw/zinc/71/75/29/958717529.db2.gz RDBOPZXXNBRNSV-HNNXBMFYSA-N -1 0 341.398 3.683 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2ccc(C(C)(F)F)cc2)C(=O)[O-])c1 ZINC001594394510 958758789 /nfs/dbraw/zinc/75/87/89/958758789.db2.gz USXUOHDBQHGXBN-HNNXBMFYSA-N -1 0 333.334 3.662 20 0 EHADRM Cc1cccc([C@H](NCc2ncc(-c3cccs3)o2)C(=O)[O-])c1 ZINC001594396772 958772146 /nfs/dbraw/zinc/77/21/46/958772146.db2.gz BWUPFERGYWZHJJ-INIZCTEOSA-N -1 0 328.393 3.627 20 0 EHADRM Cc1cccc([C@@H](NCc2ncc(Cl)cc2Cl)C(=O)[O-])c1 ZINC001594397635 958783842 /nfs/dbraw/zinc/78/38/42/958783842.db2.gz LEGQMXDVQJCUDW-CQSZACIVSA-N -1 0 325.195 3.612 20 0 EHADRM Cc1cc(C)c(NC(=O)c2ccc(C(=O)[O-])o2)c(Br)c1 ZINC000132840478 958804824 /nfs/dbraw/zinc/80/48/24/958804824.db2.gz IGCBADMCSORXRT-UHFFFAOYSA-N -1 0 338.157 3.609 20 0 EHADRM CC[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000391839149 972381311 /nfs/dbraw/zinc/38/13/11/972381311.db2.gz URJDKRGBGRBRDA-NXEZZACHSA-N -1 0 326.343 3.753 20 0 EHADRM Cc1sc(NCc2ccc(Br)cc2)nc1C(=O)[O-] ZINC000137206042 958918954 /nfs/dbraw/zinc/91/89/54/958918954.db2.gz UXDPIBDRHJGYJK-UHFFFAOYSA-N -1 0 327.203 3.524 20 0 EHADRM Cc1cccc2c(CC(=O)N3CC[C@@H](C(=O)[O-])c4ccccc43)c[nH]c21 ZINC001594411557 958952792 /nfs/dbraw/zinc/95/27/92/958952792.db2.gz XYFXUEUUJMEHRL-QGZVFWFLSA-N -1 0 348.402 3.624 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)c1ccc(C(=O)[O-])cn1)C(C)(C)C ZINC001594415126 958988309 /nfs/dbraw/zinc/98/83/09/958988309.db2.gz DKCUCJQXHOPFMB-INIZCTEOSA-N -1 0 326.396 3.605 20 0 EHADRM CCC1CCC(NC(=O)Cc2ccc(C)cc2Cl)(C(=O)[O-])CC1 ZINC000149193511 959014899 /nfs/dbraw/zinc/01/48/99/959014899.db2.gz ONMVUAXUSIWXAQ-UHFFFAOYSA-N -1 0 337.847 3.731 20 0 EHADRM C[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)[C@@H](C)C(C)(C)C ZINC001588551071 959019043 /nfs/dbraw/zinc/01/90/43/959019043.db2.gz PNNUQWWLKKZBLO-TXCZRRACSA-N -1 0 331.456 3.632 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 ZINC001573490576 959020072 /nfs/dbraw/zinc/02/00/72/959020072.db2.gz YCNBIIGBVHYDKP-KRWDZBQOSA-N -1 0 345.370 3.700 20 0 EHADRM CC(C)[C@H](CNC(=O)c1cc2c(s1)-c1ccccc1CC2)C(=O)[O-] ZINC001573498734 959043421 /nfs/dbraw/zinc/04/34/21/959043421.db2.gz LQTVGBMYQDUUSP-HNNXBMFYSA-N -1 0 343.448 3.600 20 0 EHADRM CC(C)C[C@H](CNC(=O)C(C)(C)c1ccc(Cl)cc1F)C(=O)[O-] ZINC001573509405 959080709 /nfs/dbraw/zinc/08/07/09/959080709.db2.gz GVWNLOXIETWKQH-LLVKDONJSA-N -1 0 343.826 3.620 20 0 EHADRM C[C@H](C(=O)Nc1ccccc1CC(=O)[O-])c1cn(C)c2ccccc12 ZINC001588560789 959098087 /nfs/dbraw/zinc/09/80/87/959098087.db2.gz OXLDBKWPOQRWSE-ZDUSSCGKSA-N -1 0 336.391 3.548 20 0 EHADRM CSCc1cc(C(=O)N[C@H](C(=O)[O-])c2cccc(C)c2)ccc1F ZINC001594187903 959136711 /nfs/dbraw/zinc/13/67/11/959136711.db2.gz DPWAMLZMDHCINJ-INIZCTEOSA-N -1 0 347.411 3.553 20 0 EHADRM CCCc1cc(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)sc1C ZINC000392059072 972405630 /nfs/dbraw/zinc/40/56/30/972405630.db2.gz LYNCCUYYSFNGCC-UHFFFAOYSA-N -1 0 343.448 3.906 20 0 EHADRM Cc1cnc2c(NC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)cccc2c1Cl ZINC001594429963 959165408 /nfs/dbraw/zinc/16/54/08/959165408.db2.gz JXGDESAXMCZMII-WDEREUQCSA-N -1 0 332.787 3.636 20 0 EHADRM CSc1cc(NC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)ccc1Cl ZINC001594190383 959168826 /nfs/dbraw/zinc/16/88/26/959168826.db2.gz YCGJIENATFYSMU-ONGXEEELSA-N -1 0 342.848 3.636 20 0 EHADRM CSc1ccc(N(C)C(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC001594193292 959176022 /nfs/dbraw/zinc/17/60/22/959176022.db2.gz CDNDFTOKYXKRBN-UHFFFAOYSA-N -1 0 330.409 3.704 20 0 EHADRM CSc1ccc(C)c(C(=O)N[C@H](C(=O)[O-])c2cccc(C)c2)c1 ZINC001594195218 959191801 /nfs/dbraw/zinc/19/18/01/959191801.db2.gz RZOMYOXOQRBMDE-INIZCTEOSA-N -1 0 329.421 3.581 20 0 EHADRM CSc1cccc(NC(=O)NCc2ccccc2C(=O)[O-])c1C ZINC001594196250 959194701 /nfs/dbraw/zinc/19/47/01/959194701.db2.gz JAHYYABENFBZTI-UHFFFAOYSA-N -1 0 330.409 3.737 20 0 EHADRM Cc1coc(C)c1C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001594435782 959228392 /nfs/dbraw/zinc/22/83/92/959228392.db2.gz KIRICLKGOXZYGN-UHFFFAOYSA-N -1 0 327.380 3.614 20 0 EHADRM O=C([O-])Cc1ccccc1COc1cc(Br)ccc1F ZINC000164772520 959261073 /nfs/dbraw/zinc/26/10/73/959261073.db2.gz GWESSHSHKNUVKJ-UHFFFAOYSA-N -1 0 339.160 3.794 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC001588583507 959278941 /nfs/dbraw/zinc/27/89/41/959278941.db2.gz BPYJSMDBSDNDOF-BDAKNGLRSA-N -1 0 348.251 3.632 20 0 EHADRM Cc1nc(-c2ccccc2)sc1COC(=O)[C@H](C(=O)[O-])C(C)C ZINC001594445985 959329148 /nfs/dbraw/zinc/32/91/48/959329148.db2.gz OSRMFFPIBAXFIA-AWEZNQCLSA-N -1 0 333.409 3.519 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)c1cc(-c2ccccc2)on1 ZINC000167051325 959331598 /nfs/dbraw/zinc/33/15/98/959331598.db2.gz SSUBEFHZWQZKII-UHFFFAOYSA-N -1 0 342.738 3.946 20 0 EHADRM C[C@](CNC(=O)C1(C2CCCCC2)CC1)(C(=O)[O-])c1ccccc1 ZINC001573592131 959404147 /nfs/dbraw/zinc/40/41/47/959404147.db2.gz SIUKMBSPWLIQBO-LJQANCHMSA-N -1 0 329.440 3.506 20 0 EHADRM Cc1nc(NC(=O)NC2(C(=O)[O-])CCCC2)ccc1-c1ccccc1 ZINC001594456704 959423358 /nfs/dbraw/zinc/42/33/58/959423358.db2.gz PTKBSVLCAIXEGH-UHFFFAOYSA-N -1 0 339.395 3.576 20 0 EHADRM O=C([O-])C1(CNC(=O)Cc2cccc3ccccc32)CCCCC1 ZINC000179195746 959434967 /nfs/dbraw/zinc/43/49/67/959434967.db2.gz HOZKZQOYQXQRDM-UHFFFAOYSA-N -1 0 325.408 3.534 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C(=O)c1cc(C(=O)[O-])co1)C1CC1 ZINC000183806442 959452188 /nfs/dbraw/zinc/45/21/88/959452188.db2.gz IYWURXVLRVXIHT-SNVBAGLBSA-N -1 0 333.771 3.997 20 0 EHADRM Cc1nc2cc(NC(=O)N3CCC[C@@H](CCC(=O)[O-])C3)ccc2s1 ZINC001594463113 959475413 /nfs/dbraw/zinc/47/54/13/959475413.db2.gz NSAFVKYLTPYZAV-LBPRGKRZSA-N -1 0 347.440 3.713 20 0 EHADRM Cc1nc2c(s1)[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(C)c1)CCC2 ZINC001594463738 959483073 /nfs/dbraw/zinc/48/30/73/959483073.db2.gz HJXMRIUNVMHKGD-CQSZACIVSA-N -1 0 345.424 3.657 20 0 EHADRM CCC1CCC(NC(=O)CCCOc2ccccc2C)(C(=O)[O-])CC1 ZINC000392262072 972435270 /nfs/dbraw/zinc/43/52/70/972435270.db2.gz FFYZCNVYZDICLT-UHFFFAOYSA-N -1 0 347.455 3.694 20 0 EHADRM COc1ccc(CNC(=O)c2cc(C)c(C)cc2Cl)cc1C(=O)[O-] ZINC000190508117 959512496 /nfs/dbraw/zinc/51/24/96/959512496.db2.gz KYRIUCUWTJXZQS-UHFFFAOYSA-N -1 0 347.798 3.594 20 0 EHADRM Cc1cccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)c1Cl ZINC000190492599 959512812 /nfs/dbraw/zinc/51/28/12/959512812.db2.gz XFIVLHOQUMKHRP-CQSZACIVSA-N -1 0 335.762 3.733 20 0 EHADRM CCOc1cc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)ccc1C ZINC000191389075 959557182 /nfs/dbraw/zinc/55/71/82/959557182.db2.gz WCLIZUUSJCOHHY-AWEZNQCLSA-N -1 0 341.407 3.909 20 0 EHADRM CSc1ccc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000191387007 959557498 /nfs/dbraw/zinc/55/74/98/959557498.db2.gz ICNQQFZTQANWIQ-GFCCVEGCSA-N -1 0 329.421 3.924 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)[C@@H](C)Cc2cccc(F)c2)cc1)C(=O)[O-] ZINC000191396186 959559272 /nfs/dbraw/zinc/55/92/72/959559272.db2.gz DXPBVADSHIZHKL-UONOGXRCSA-N -1 0 343.398 3.906 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)[C@H](C)Cc2ccccc2)cc1)C(=O)[O-] ZINC000191401517 959561061 /nfs/dbraw/zinc/56/10/61/959561061.db2.gz LRHKTMTZEONTOA-HUUCEWRRSA-N -1 0 325.408 3.767 20 0 EHADRM CC(C)(C(=O)OCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1F ZINC001588624962 959566859 /nfs/dbraw/zinc/56/68/59/959566859.db2.gz DOERQQHEZMITOQ-UHFFFAOYSA-N -1 0 334.318 3.684 20 0 EHADRM CSc1ccsc1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000191445330 959570782 /nfs/dbraw/zinc/57/07/82/959570782.db2.gz UZRBJEJKSMNDPV-JTQLQIEISA-N -1 0 335.450 3.986 20 0 EHADRM C[C@@H](C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1)c1ccccc1 ZINC000192865397 959592743 /nfs/dbraw/zinc/59/27/43/959592743.db2.gz RNPWORUEHZPWHZ-CYBMUJFWSA-N -1 0 347.361 3.572 20 0 EHADRM CC(C)OCCCC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000192866106 959592937 /nfs/dbraw/zinc/59/29/37/959592937.db2.gz AFTXTFOEZLDSCV-KRWDZBQOSA-N -1 0 349.471 3.821 20 0 EHADRM CC[C@@H](CC(=O)Nc1cc(C(=O)[O-])cs1)c1ccc(OC)cc1 ZINC000192917715 959597231 /nfs/dbraw/zinc/59/72/31/959597231.db2.gz BIVQULCDLNKFDE-NSHDSACASA-N -1 0 333.409 3.977 20 0 EHADRM C[C@@H](NC(=O)[C@H](C)SCCC(=O)[O-])c1ccc2ccccc2c1 ZINC001573639907 959605680 /nfs/dbraw/zinc/60/56/80/959605680.db2.gz CHLXLGJBRQHHFB-OLZOCXBDSA-N -1 0 331.437 3.613 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC001588634618 959641413 /nfs/dbraw/zinc/64/14/13/959641413.db2.gz DACYIBQJSDLJRI-CVEARBPZSA-N -1 0 333.403 3.625 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OCCOc1cc(C)cc(C)c1 ZINC000211376229 959682321 /nfs/dbraw/zinc/68/23/21/959682321.db2.gz ATSPGRSLDSVSFS-ALCCZGGFSA-N -1 0 342.391 3.868 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001573665216 959688679 /nfs/dbraw/zinc/68/86/79/959688679.db2.gz UBVZEDUKLGLPFA-WPKBUWHJSA-N -1 0 335.831 3.593 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)O[C@H]1CCCc2c(F)cc(F)cc21 ZINC001588641253 959698605 /nfs/dbraw/zinc/69/86/05/959698605.db2.gz ZZQYTNCWPHRTHI-KBPBESRZSA-N -1 0 326.339 3.632 20 0 EHADRM Cc1c(Cl)ccc2c1CN(C(=O)C1(C(=O)[O-])CCCCC1)CC2 ZINC001594263065 959717453 /nfs/dbraw/zinc/71/74/53/959717453.db2.gz SHKZLCBRBDDLNM-UHFFFAOYSA-N -1 0 335.831 3.568 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)[C@@]1(C)CCCc2ccccc21)C(=O)[O-] ZINC001588645611 959734801 /nfs/dbraw/zinc/73/48/01/959734801.db2.gz QKAGCWXWMQETCB-JXFKEZNVSA-N -1 0 331.456 3.676 20 0 EHADRM CC1(c2ccccc2)CC(NC(=O)C2(C(=O)[O-])CCCCCC2)C1 ZINC001573689171 959754093 /nfs/dbraw/zinc/75/40/93/959754093.db2.gz DXTHWOZUVZDUFJ-UHFFFAOYSA-N -1 0 329.440 3.648 20 0 EHADRM O=C([O-])c1cccc2c1CCN(Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000392315064 972469383 /nfs/dbraw/zinc/46/93/83/972469383.db2.gz IHLACOXXOSORLZ-UHFFFAOYSA-N -1 0 346.770 3.505 20 0 EHADRM C[C@@H](CC(=O)[O-])SCc1c(F)ccc(Br)c1F ZINC000230304934 960140757 /nfs/dbraw/zinc/14/07/57/960140757.db2.gz YMWUUEFHWMAFTQ-LURJTMIESA-N -1 0 325.174 3.824 20 0 EHADRM C[C@@H](OC(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1ccc(F)c(C(F)(F)F)c1 ZINC001603274182 972491049 /nfs/dbraw/zinc/49/10/49/972491049.db2.gz GPRDIHMZKBVYEJ-SZEHBUNVSA-N -1 0 334.265 3.560 20 0 EHADRM Cc1c(Cl)cccc1NC(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000392520642 972493947 /nfs/dbraw/zinc/49/39/47/972493947.db2.gz PMTAVNNMYKEKMA-UHFFFAOYSA-N -1 0 344.798 3.937 20 0 EHADRM CSCCCCCNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000235100996 960386370 /nfs/dbraw/zinc/38/63/70/960386370.db2.gz IWBVQHFUQYLBQO-UHFFFAOYSA-N -1 0 330.837 3.693 20 0 EHADRM Cc1cccc(Oc2ncccc2NC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)c1C ZINC001123280579 960436349 /nfs/dbraw/zinc/43/63/49/960436349.db2.gz WKMLJOCUIXHFTF-OKILXGFUSA-N -1 0 340.379 3.540 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)NCc1cc(C2CC2)ccc1F ZINC001605793278 972507707 /nfs/dbraw/zinc/50/77/07/972507707.db2.gz FFGMHLIKMLDVLC-UHFFFAOYSA-N -1 0 328.343 3.723 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OCc1nc2ccccc2s1 ZINC000392705943 972512008 /nfs/dbraw/zinc/51/20/08/972512008.db2.gz WWHOVUHYKFWNMQ-VQHVLOKHSA-N -1 0 341.388 3.982 20 0 EHADRM CCCc1ccc(NC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000392751761 972518057 /nfs/dbraw/zinc/51/80/57/972518057.db2.gz YQYZEPFMCVFVBI-UHFFFAOYSA-N -1 0 338.407 3.928 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC001574273885 960612242 /nfs/dbraw/zinc/61/22/42/960612242.db2.gz JUUJVVTVHLHDHO-JMCQJSRRSA-N -1 0 341.194 3.552 20 0 EHADRM CC[C@](C)(NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccc(F)cc1 ZINC001573770283 960660469 /nfs/dbraw/zinc/66/04/69/960660469.db2.gz OIWWNTYAHMENCG-FYGXRCCRSA-N -1 0 331.343 3.572 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(Cl)sc2Cl)cc1O ZINC000236478885 960662378 /nfs/dbraw/zinc/66/23/78/960662378.db2.gz HKBRUSLNBNWGIN-UHFFFAOYSA-N -1 0 332.164 3.711 20 0 EHADRM CC[C@@H](C)CCC(=O)Nc1scc(-c2cnn(C)c2)c1C(=O)[O-] ZINC001573777225 960702590 /nfs/dbraw/zinc/70/25/90/960702590.db2.gz ZRZUSLSONBLFJN-SNVBAGLBSA-N -1 0 335.429 3.612 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC001573778153 960710610 /nfs/dbraw/zinc/71/06/10/960710610.db2.gz RJEZHZJLSXBDCC-UHFFFAOYSA-N -1 0 348.830 3.528 20 0 EHADRM Cc1cccc(C[C@@H](CNC(=O)C2(CC(C)C)CCC2)C(=O)[O-])c1 ZINC000236665060 960726934 /nfs/dbraw/zinc/72/69/34/960726934.db2.gz IIYHCCHLCSXRJP-KRWDZBQOSA-N -1 0 331.456 3.571 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)C[C@@H](C)c1ccccc1C(F)(F)F ZINC000236663418 960727353 /nfs/dbraw/zinc/72/73/53/960727353.db2.gz BFYZKNONFHDZMG-GFCCVEGCSA-N -1 0 345.361 3.768 20 0 EHADRM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NCCCCCC(=O)[O-] ZINC000236667022 960727672 /nfs/dbraw/zinc/72/76/72/960727672.db2.gz QRSCMTQDELDSSZ-OAHLLOKOSA-N -1 0 334.460 3.826 20 0 EHADRM CC(C)Oc1ccc(CC[C@@H](C)NC(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000236704087 960736225 /nfs/dbraw/zinc/73/62/25/960736225.db2.gz OJEBOIMEBJKUEM-CYBMUJFWSA-N -1 0 345.395 3.516 20 0 EHADRM C[C@H](c1ccc(C(=O)[O-])o1)N1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC001261517532 960740574 /nfs/dbraw/zinc/74/05/74/960740574.db2.gz UEDDUOGVJHOCHY-BXKDBHETSA-N -1 0 341.816 3.827 20 0 EHADRM C[C@H](c1ccc(C(=O)[O-])o1)N1CCO[C@H](c2ccc(Cl)s2)C1 ZINC001261517535 960742681 /nfs/dbraw/zinc/74/26/81/960742681.db2.gz UEDDUOGVJHOCHY-SKDRFNHKSA-N -1 0 341.816 3.827 20 0 EHADRM Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000236724428 960744858 /nfs/dbraw/zinc/74/48/58/960744858.db2.gz XVPNOMVGLILKLB-CQSZACIVSA-N -1 0 346.452 3.574 20 0 EHADRM CC(C)c1cccc(O[C@H](C)C(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000236804807 960760928 /nfs/dbraw/zinc/76/09/28/960760928.db2.gz PYFINTBULOJYFN-CYBMUJFWSA-N -1 0 327.380 3.914 20 0 EHADRM CCCCCC(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000236831414 960767818 /nfs/dbraw/zinc/76/78/18/960767818.db2.gz MAHSAVLJZHKLIS-UHFFFAOYSA-N -1 0 331.334 3.699 20 0 EHADRM CCSCc1ccc(C(=O)NCCc2ccc(C(=O)[O-])cc2)cc1 ZINC000236862246 960779682 /nfs/dbraw/zinc/77/96/82/960779682.db2.gz ICCRVDPHOQIDKR-UHFFFAOYSA-N -1 0 343.448 3.610 20 0 EHADRM CCC(CC)(CNC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000236861300 960780382 /nfs/dbraw/zinc/78/03/82/960780382.db2.gz UEOYVYOREKJGID-QZTJIDSGSA-N -1 0 339.435 3.951 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000236913638 960797835 /nfs/dbraw/zinc/79/78/35/960797835.db2.gz LHFAQUWJJOAJJR-NEPJUHHUSA-N -1 0 345.361 3.596 20 0 EHADRM CC[C@@H](CC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000236919280 960799411 /nfs/dbraw/zinc/79/94/11/960799411.db2.gz NYRYEROBGZGDKA-DKIMLUQUSA-N -1 0 329.440 3.815 20 0 EHADRM CCC(CC)[C@@H](NC(=O)NC[C@H](CC)C(=O)[O-])c1cccs1 ZINC001573799462 960811517 /nfs/dbraw/zinc/81/15/17/960811517.db2.gz KVUMTQSTZVXYPQ-GXTWGEPZSA-N -1 0 326.462 3.635 20 0 EHADRM Cc1cc(C)cc(-c2ccc(CN[C@@H](C(=O)[O-])c3ccnn3C)cc2)c1 ZINC001574322347 960829657 /nfs/dbraw/zinc/82/96/57/960829657.db2.gz NNWXPFBLOKEYDM-HXUWFJFHSA-N -1 0 349.434 3.619 20 0 EHADRM CCC[C@H](NC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)C(=O)[O-] ZINC000237006843 960831992 /nfs/dbraw/zinc/83/19/92/960831992.db2.gz AZQHSTFXONXRQO-KGTBHZDVSA-N -1 0 349.736 3.655 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000237047910 960854697 /nfs/dbraw/zinc/85/46/97/960854697.db2.gz LHFAQUWJJOAJJR-VXGBXAGGSA-N -1 0 345.361 3.596 20 0 EHADRM CC1(C)C[C@@H](c2ccccc2)N(C(=O)NCCCCCC(=O)[O-])C1 ZINC001263064298 960864439 /nfs/dbraw/zinc/86/44/39/960864439.db2.gz WVGYWYKTZWZAFR-INIZCTEOSA-N -1 0 332.444 3.814 20 0 EHADRM Cc1cc(Cl)ccc1C1=CCN(C(=O)[C@H](C(=O)[O-])C(C)C)CC1 ZINC001574330712 960884381 /nfs/dbraw/zinc/88/43/81/960884381.db2.gz KADVDDUSLYDJBD-MRXNPFEDSA-N -1 0 335.831 3.621 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000237175569 960885069 /nfs/dbraw/zinc/88/50/69/960885069.db2.gz OGAHDWKQULLGKI-ZDUSSCGKSA-N -1 0 327.380 3.834 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000237318577 960908636 /nfs/dbraw/zinc/90/86/36/960908636.db2.gz BTDCXKIFTBGBEU-NDMJEZRESA-N -1 0 344.238 3.542 20 0 EHADRM Cc1cc(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc(C(F)(F)F)c1 ZINC001574337777 960912219 /nfs/dbraw/zinc/91/22/19/960912219.db2.gz ITZIYDNLTNNJJA-NSHDSACASA-N -1 0 344.333 3.732 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000237370860 960920230 /nfs/dbraw/zinc/92/02/30/960920230.db2.gz QSBDVNQVGXXDQP-KDOFPFPSSA-N -1 0 329.440 3.631 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cnc(C(C)(C)C)s2)cc1 ZINC001318739407 960920543 /nfs/dbraw/zinc/92/05/43/960920543.db2.gz GTNXSNIZKDJGHA-CYBMUJFWSA-N -1 0 346.452 3.695 20 0 EHADRM CSc1ccc(C)c(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1 ZINC000237383585 960921789 /nfs/dbraw/zinc/92/17/89/960921789.db2.gz IXTZKRDEEWOHTE-RCBQFDQVSA-N -1 0 333.453 3.575 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 ZINC001319264860 960934313 /nfs/dbraw/zinc/93/43/13/960934313.db2.gz OQZWNNGCSZOZMP-LBPRGKRZSA-N -1 0 347.798 3.512 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC001319328322 960941858 /nfs/dbraw/zinc/94/18/58/960941858.db2.gz KZEYLPXNNNLOSP-UHFFFAOYSA-N -1 0 341.411 3.774 20 0 EHADRM Cc1cc(NCc2c(F)cncc2Br)ccc1C(=O)[O-] ZINC001574343169 960947166 /nfs/dbraw/zinc/94/71/66/960947166.db2.gz GXHGPOREFACIDU-UHFFFAOYSA-N -1 0 339.164 3.602 20 0 EHADRM CC(C)C[C@H](NC(=O)c1nc(-c2ccccc2)oc1C(C)C)C(=O)[O-] ZINC001319463803 960949487 /nfs/dbraw/zinc/94/94/87/960949487.db2.gz JHCDVLXBDPOCCO-AWEZNQCLSA-N -1 0 344.411 3.694 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N[C@@H]1C[C@@H]1c1ccccc1)C(=O)[O-] ZINC000237561580 960962172 /nfs/dbraw/zinc/96/21/72/960962172.db2.gz VHIAZRGQENXGEX-APHBMKBZSA-N -1 0 341.432 3.538 20 0 EHADRM Cc1ccc(C)c(SCC(=O)Nc2cc(C(=O)[O-])ccc2F)c1 ZINC000237660069 960989360 /nfs/dbraw/zinc/98/93/60/960989360.db2.gz CHJQVKKNPUMUAU-UHFFFAOYSA-N -1 0 333.384 3.872 20 0 EHADRM Cc1cn(CC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c2ccccc12 ZINC001320981505 960992099 /nfs/dbraw/zinc/99/20/99/960992099.db2.gz JMIMAVHSXNBNGN-UHFFFAOYSA-N -1 0 336.391 3.903 20 0 EHADRM CC[C@H]1CCc2c(sc(NC(=O)c3nccs3)c2C(=O)[O-])C1 ZINC001573830355 961014323 /nfs/dbraw/zinc/01/43/23/961014323.db2.gz PVLXKUAMUOPTFK-QMMMGPOBSA-N -1 0 336.438 3.670 20 0 EHADRM Cc1cccc(Nc2ccccc2C(=O)N2CC[C@H](C(=O)[O-])C2)c1C ZINC000237761986 961017871 /nfs/dbraw/zinc/01/78/71/961017871.db2.gz UWLBCSSFRRKUQL-HNNXBMFYSA-N -1 0 338.407 3.594 20 0 EHADRM Cc1ccc2c(c1)S[C@H](C(=O)Nc1ccc(C)c(C(=O)[O-])c1)C2 ZINC001323488349 961018025 /nfs/dbraw/zinc/01/80/25/961018025.db2.gz RJWGJIQOEXGBTG-INIZCTEOSA-N -1 0 327.405 3.657 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@]3(C(=O)[O-])CC=CCC3)C2)cc1 ZINC001574360591 961024929 /nfs/dbraw/zinc/02/49/29/961024929.db2.gz DSFQNGXLVWGZFX-VPWXQRGCSA-N -1 0 327.424 3.511 20 0 EHADRM CCC[C@H](NC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)C(C)(C)C ZINC001573835909 961049656 /nfs/dbraw/zinc/04/96/56/961049656.db2.gz KDXOZWMIOYNOIR-HNAYVOBHSA-N -1 0 334.460 3.543 20 0 EHADRM Cc1c(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cnn1C1CCCC1 ZINC001325291911 961055175 /nfs/dbraw/zinc/05/51/75/961055175.db2.gz XUDWFYFZLJKIDF-GFCCVEGCSA-N -1 0 341.411 3.747 20 0 EHADRM Cc1ccc(Cl)c2ccc(NC(=O)c3ccc(C(=O)[O-])cn3)nc12 ZINC001574368350 961055516 /nfs/dbraw/zinc/05/55/16/961055516.db2.gz XDIDMGWGUXQRMI-UHFFFAOYSA-N -1 0 341.754 3.542 20 0 EHADRM Cc1ccc(N(C(=O)c2cccc(OCC(=O)[O-])c2)C2CCC2)cc1 ZINC001574368953 961064349 /nfs/dbraw/zinc/06/43/49/961064349.db2.gz KXEHCILWWCNOAZ-UHFFFAOYSA-N -1 0 339.391 3.658 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)CCCc2cccs2)cc1 ZINC000238000610 961070994 /nfs/dbraw/zinc/07/09/94/961070994.db2.gz MAPDGEFWWSXDCC-UHFFFAOYSA-N -1 0 347.436 3.953 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2C[C@@H]3CCCC[C@]32c2ccccc2)cc1 ZINC000238014084 961075854 /nfs/dbraw/zinc/07/58/54/961075854.db2.gz LZNPDGMCWPRLAF-RXVVDRJESA-N -1 0 335.403 3.926 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)o1 ZINC000238036831 961084013 /nfs/dbraw/zinc/08/40/13/961084013.db2.gz NTFLTEWARPGVBN-QGZVFWFLSA-N -1 0 339.322 3.636 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(SC(F)F)cc1 ZINC000238053478 961087287 /nfs/dbraw/zinc/08/72/87/961087287.db2.gz YBBMHZQKKVTOMH-NWDGAFQWSA-N -1 0 329.368 3.831 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)CCSc2ccccc2Cl)cc1 ZINC000238088466 961094831 /nfs/dbraw/zinc/09/48/31/961094831.db2.gz POHXXJINCXBLDP-UHFFFAOYSA-N -1 0 349.839 3.837 20 0 EHADRM O=C([O-])CCCCCCNC(=O)Cc1cc(Cl)ccc1Cl ZINC000238117192 961104697 /nfs/dbraw/zinc/10/46/97/961104697.db2.gz PHJCTVUHDTXGMN-UHFFFAOYSA-N -1 0 332.227 3.687 20 0 EHADRM CC(C)(C)O[C@H]1C[C@H](NC(=O)Nc2ccccc2C(=O)[O-])C12CCC2 ZINC001588733553 961113186 /nfs/dbraw/zinc/11/31/86/961113186.db2.gz VUUSNEPJVPYNSW-GJZGRUSLSA-N -1 0 346.427 3.633 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)N1CCCC[C@@H]1CCC(=O)[O-])[C@H](C)C2 ZINC001574382680 961121038 /nfs/dbraw/zinc/12/10/38/961121038.db2.gz VUFBEYXJNCQQLV-OGWOLHLISA-N -1 0 344.455 3.657 20 0 EHADRM CC(C)(C)c1cc(NC(=O)CCCC(=O)[O-])n(-c2ccc(F)cc2)n1 ZINC001588739640 961156961 /nfs/dbraw/zinc/15/69/61/961156961.db2.gz UMVLRNUNMYDPEA-UHFFFAOYSA-N -1 0 347.390 3.502 20 0 EHADRM Cc1cccc([C@H](NC(=O)[C@H](C)c2ccc(Cl)cc2)C(=O)[O-])c1 ZINC001574390585 961172281 /nfs/dbraw/zinc/17/22/81/961172281.db2.gz YZSWBWLILHOUNO-WBMJQRKESA-N -1 0 331.799 3.694 20 0 EHADRM COc1cc(Cl)c(C)cc1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000243011479 961177558 /nfs/dbraw/zinc/17/75/58/961177558.db2.gz HWFMTEZHJFFEPB-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C(C)(C)Oc1ccccc1 ZINC001327820311 961182156 /nfs/dbraw/zinc/18/21/56/961182156.db2.gz YGPJPLMOQNJMGX-UHFFFAOYSA-N -1 0 327.380 3.798 20 0 EHADRM CC(C)(C)c1nc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)co1 ZINC001588747267 961184004 /nfs/dbraw/zinc/18/40/04/961184004.db2.gz VRVSUTCLGSQJIH-UHFFFAOYSA-N -1 0 340.738 3.715 20 0 EHADRM CC(C)(CCNC(=O)N1CC(C)(C)c2c1cccc2Cl)C(=O)[O-] ZINC001588774257 961269641 /nfs/dbraw/zinc/26/96/41/961269641.db2.gz GJPWTYVYZLPBBJ-UHFFFAOYSA-N -1 0 338.835 3.648 20 0 EHADRM CN(C(=O)CCc1ccc(Cl)cc1Cl)C(C)(C)CC(=O)[O-] ZINC001331048512 961360142 /nfs/dbraw/zinc/36/01/42/961360142.db2.gz DWZDEMNLZIVTPO-UHFFFAOYSA-N -1 0 332.227 3.638 20 0 EHADRM Cc1nc2cccc(Cl)c2cc1C(=O)N1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC001574426852 961369364 /nfs/dbraw/zinc/36/93/64/961369364.db2.gz OWRBGJKPEQBQFR-MGPLVRAMSA-N -1 0 346.814 3.522 20 0 EHADRM CC[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1C(=O)[O-] ZINC000261537744 961379010 /nfs/dbraw/zinc/37/90/10/961379010.db2.gz UWLWKWHOZPOLHZ-HNNXBMFYSA-N -1 0 325.408 3.755 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2sccc2-c2ccccc2)C1 ZINC000261759619 961390478 /nfs/dbraw/zinc/39/04/78/961390478.db2.gz PROPZPKSPLQSRL-GOSISDBHSA-N -1 0 329.421 3.742 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2F)c2ccc(F)cc2n1 ZINC001331838183 961397786 /nfs/dbraw/zinc/39/77/86/961397786.db2.gz OWILJQKHPMOJNJ-UHFFFAOYSA-N -1 0 342.301 3.772 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)CCSc2ccc(Cl)cc2)C1 ZINC000261969595 961402685 /nfs/dbraw/zinc/40/26/85/961402685.db2.gz PWEPCENGWXAFSI-INIZCTEOSA-N -1 0 341.860 3.536 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)CCCSc1ccc(Cl)cc1 ZINC000262047253 961416206 /nfs/dbraw/zinc/41/62/06/961416206.db2.gz CMCQNHRQKGGDNV-RISCZKNCSA-N -1 0 341.860 3.534 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000262086618 961445240 /nfs/dbraw/zinc/44/52/40/961445240.db2.gz CAOXBOZTKNVMDU-HNNXBMFYSA-N -1 0 337.419 3.772 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)NCc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000262095234 961451873 /nfs/dbraw/zinc/45/18/73/961451873.db2.gz MCUHCZGQMNIQCS-GFCCVEGCSA-N -1 0 329.396 3.659 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)NCC1(c2cccc(Cl)c2)CCCC1 ZINC001588804698 961468522 /nfs/dbraw/zinc/46/85/22/961468522.db2.gz HELSCHRTGZMAKD-OAHLLOKOSA-N -1 0 337.847 3.625 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)NCC1(c2cccc(Cl)c2)CCCC1 ZINC001588804697 961469114 /nfs/dbraw/zinc/46/91/14/961469114.db2.gz HELSCHRTGZMAKD-HNNXBMFYSA-N -1 0 337.847 3.625 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000262132832 961487574 /nfs/dbraw/zinc/48/75/74/961487574.db2.gz HRZJKEYNKIYQBM-QGZVFWFLSA-N -1 0 343.810 3.944 20 0 EHADRM CC(C)OCc1ccc(C(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC000262140448 961493639 /nfs/dbraw/zinc/49/36/39/961493639.db2.gz DXTOPZGFTOFYJX-UHFFFAOYSA-N -1 0 341.407 3.881 20 0 EHADRM Cc1oc(CNC(=O)c2ccccc2COC(C)(C)C)cc1C(=O)[O-] ZINC001332166063 961500389 /nfs/dbraw/zinc/50/03/89/961500389.db2.gz ZRDNWJBNGVWLAD-UHFFFAOYSA-N -1 0 345.395 3.531 20 0 EHADRM CC[C@H](CNC(=O)CCc1ccccc1C(=O)[O-])c1ccccc1 ZINC000262154406 961505674 /nfs/dbraw/zinc/50/56/74/961505674.db2.gz JXQXFZASRAVOTO-OAHLLOKOSA-N -1 0 325.408 3.627 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)CCc2ccccc2C(=O)[O-])c(C)s1 ZINC000262181225 961528929 /nfs/dbraw/zinc/52/89/29/961528929.db2.gz MKSQUXRYUTWTCF-GFCCVEGCSA-N -1 0 331.437 3.873 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](CC1CC1)C(=O)[O-])c1ccccc1C(F)(F)F ZINC000262186312 961531774 /nfs/dbraw/zinc/53/17/74/961531774.db2.gz HGMJYHDJWQZETL-HZMBPMFUSA-N -1 0 343.345 3.569 20 0 EHADRM CCN(C(=O)Cc1cccc(C(=O)[O-])c1)[C@@H](C)c1cccc(OC)c1 ZINC000262203412 961549918 /nfs/dbraw/zinc/54/99/18/961549918.db2.gz SLDVDTQIRKLHKH-AWEZNQCLSA-N -1 0 341.407 3.546 20 0 EHADRM CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000262254173 961594507 /nfs/dbraw/zinc/59/45/07/961594507.db2.gz SNHYPEZUMAXIHI-UHFFFAOYSA-N -1 0 341.407 3.629 20 0 EHADRM CC(C)[C@@H](NC(=O)CCc1ccccc1C(=O)[O-])c1ccccc1 ZINC000262259894 961601183 /nfs/dbraw/zinc/60/11/83/961601183.db2.gz WOVLJPCBSURRPE-LJQANCHMSA-N -1 0 325.408 3.831 20 0 EHADRM CC(C)(C)c1ccc2cc(C(=O)N3CCC(CC(=O)[O-])CC3)[nH]c2c1 ZINC000262317504 961638771 /nfs/dbraw/zinc/63/87/71/961638771.db2.gz PUUAQZMBRFPYJH-UHFFFAOYSA-N -1 0 342.439 3.792 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)CCc2ccc(Cl)s2)c1 ZINC000262357442 961666232 /nfs/dbraw/zinc/66/62/32/961666232.db2.gz GDWNDFHJDRZYIO-UHFFFAOYSA-N -1 0 337.828 3.990 20 0 EHADRM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC000262383083 961685371 /nfs/dbraw/zinc/68/53/71/961685371.db2.gz LSLLTMYKQCDYJH-RISCZKNCSA-N -1 0 345.345 3.681 20 0 EHADRM O=C([O-])CC1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 ZINC000262436056 961719855 /nfs/dbraw/zinc/71/98/55/961719855.db2.gz NDUQDUHECYMBAM-UHFFFAOYSA-N -1 0 349.858 3.865 20 0 EHADRM CO[C@@H]1CCC[C@H](CC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC001333945791 961735207 /nfs/dbraw/zinc/73/52/07/961735207.db2.gz RDXMRFSHCHXICR-CMPLNLGQSA-N -1 0 325.792 3.572 20 0 EHADRM CC(C)[C@@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccccc1F ZINC001588833476 961736277 /nfs/dbraw/zinc/73/62/77/961736277.db2.gz MQLHCSKUSKAULJ-SYJIQKIWSA-N -1 0 331.343 3.644 20 0 EHADRM O=C([O-])CC1CCN(C(=O)C2(c3cccc(F)c3)CCCCC2)CC1 ZINC000262487238 961747328 /nfs/dbraw/zinc/74/73/28/961747328.db2.gz VPOGIODOHFVDEZ-UHFFFAOYSA-N -1 0 347.430 3.741 20 0 EHADRM Cc1oc(CN(C)C(=O)c2ccccc2C(F)(F)F)cc1C(=O)[O-] ZINC000262526870 961762236 /nfs/dbraw/zinc/76/22/36/961762236.db2.gz RUSBNLFWUDRZRS-UHFFFAOYSA-N -1 0 341.285 3.577 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC000262571679 961775929 /nfs/dbraw/zinc/77/59/29/961775929.db2.gz ZDSHUKPAXNHKIT-UHFFFAOYSA-N -1 0 339.391 3.912 20 0 EHADRM Cc1c(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cccc1C(F)(F)F ZINC000262675735 961801728 /nfs/dbraw/zinc/80/17/28/961801728.db2.gz AGXJYVDTNNNLQY-XYPYZODXSA-N -1 0 329.318 3.843 20 0 EHADRM CN(C(=O)c1cc(Br)cc(C(=O)[O-])c1)C1CCCCC1 ZINC000262684554 961806768 /nfs/dbraw/zinc/80/67/68/961806768.db2.gz UMTQFTWJHGTKBO-UHFFFAOYSA-N -1 0 340.217 3.552 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C2CC2)o1 ZINC000262738722 961838797 /nfs/dbraw/zinc/83/87/97/961838797.db2.gz VXHKUKXJZFXOAH-WBOJAVRRSA-N -1 0 345.439 3.785 20 0 EHADRM Cc1ccc(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c(OC(C)(C)C)c1 ZINC000262751857 961849731 /nfs/dbraw/zinc/84/97/31/961849731.db2.gz YCMVRWQSUPQPCK-SHTZXODSSA-N -1 0 347.455 3.680 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cnc([C@@H]2CCCO2)s1 ZINC000262792994 961869992 /nfs/dbraw/zinc/86/99/92/961869992.db2.gz NJGCUHQOWAURHZ-ZDUSSCGKSA-N -1 0 346.408 3.562 20 0 EHADRM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000262804667 961874802 /nfs/dbraw/zinc/87/48/02/961874802.db2.gz ONAIQEYJZYGCPK-VBKZILBWSA-N -1 0 337.419 3.757 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1c(C)coc1CC(=O)[O-] ZINC000262816245 961882904 /nfs/dbraw/zinc/88/29/04/961882904.db2.gz ADKKGZOVTZGISP-INIZCTEOSA-N -1 0 343.423 3.617 20 0 EHADRM CC(C)C[C@H](CNC(=O)N(Cc1ccccc1)CC(C)C)C(=O)[O-] ZINC001588846743 961885062 /nfs/dbraw/zinc/88/50/62/961885062.db2.gz DRSQZUALPBRCGG-QGZVFWFLSA-N -1 0 334.460 3.601 20 0 EHADRM COc1cc(NC(=O)c2ccc(C3CCC3)cc2)ccc1C(=O)[O-] ZINC000262827352 961892614 /nfs/dbraw/zinc/89/26/14/961892614.db2.gz AZQOLBRNPFIRTK-UHFFFAOYSA-N -1 0 325.364 3.913 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N1CCC[C@@]1(C)Cc1ccccc1)C(=O)[O-] ZINC001588850679 961925726 /nfs/dbraw/zinc/92/57/26/961925726.db2.gz YXWOJAGDODQKSQ-PXNSSMCTSA-N -1 0 346.471 3.540 20 0 EHADRM O=C([O-])CC1(NC(=O)c2ccc(Oc3ccccc3)o2)CCCC1 ZINC000262872156 961943719 /nfs/dbraw/zinc/94/37/19/961943719.db2.gz JTOYYNMULKDREN-UHFFFAOYSA-N -1 0 329.352 3.589 20 0 EHADRM CC(C)C[C@H](CNC(=O)NCc1ccc(C2CCC2)cc1)C(=O)[O-] ZINC001588852532 961943864 /nfs/dbraw/zinc/94/38/64/961943864.db2.gz WXLOWSOCSGTZTP-QGZVFWFLSA-N -1 0 332.444 3.500 20 0 EHADRM CC(C)(CCNC(=O)C1(c2cccc(F)c2)CCCCC1)C(=O)[O-] ZINC000262873373 961945733 /nfs/dbraw/zinc/94/57/33/961945733.db2.gz BMSXJRKMNIKXAC-UHFFFAOYSA-N -1 0 335.419 3.645 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)CCCc1ccc2ccccc2c1 ZINC000262887070 961961829 /nfs/dbraw/zinc/96/18/29/961961829.db2.gz HOJPWQPANACDNT-GOSISDBHSA-N -1 0 325.408 3.628 20 0 EHADRM CC(C)[C@H](CC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])c1ccccc1 ZINC000262895683 961970643 /nfs/dbraw/zinc/97/06/43/961970643.db2.gz HTQNKVTWVOZYPP-LSTDLKDCSA-N -1 0 329.440 3.528 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)N[C@H](CC(F)F)C(=O)[O-])cc1 ZINC000262910826 961989658 /nfs/dbraw/zinc/98/96/58/961989658.db2.gz FLBNMDJZKXNHBG-GFCCVEGCSA-N -1 0 339.363 3.562 20 0 EHADRM CC[C@@H](C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC000262916120 961997672 /nfs/dbraw/zinc/99/76/72/961997672.db2.gz IAMYSFOWBDITCQ-AEFFLSMTSA-N -1 0 341.382 3.530 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cc(C3CC3)nc3ccccc32)CCCC1 ZINC000262917640 961998721 /nfs/dbraw/zinc/99/87/21/961998721.db2.gz NSLWVROQRHASNQ-UHFFFAOYSA-N -1 0 338.407 3.630 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)c2ccc(F)c(Cl)c2)c2ccccc21 ZINC001574558563 962006594 /nfs/dbraw/zinc/00/65/94/962006594.db2.gz XXLNPKKNEAHDJW-DOMZBBRYSA-N -1 0 333.746 3.522 20 0 EHADRM CC[C@@H](CC1CCCCC1)C(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000262940313 962024090 /nfs/dbraw/zinc/02/40/90/962024090.db2.gz HPWCFXCGDXZSNC-XJKSGUPXSA-N -1 0 349.393 3.849 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)c(C)n1CC1CC1 ZINC001339453237 962026082 /nfs/dbraw/zinc/02/60/82/962026082.db2.gz CGBIHCWNORSTAZ-UHFFFAOYSA-N -1 0 330.359 3.605 20 0 EHADRM Cc1cc(C)c(C(=O)N[C@@H](C)c2ccc(OCC(=O)[O-])cc2)c(C)c1 ZINC000262995297 962087690 /nfs/dbraw/zinc/08/76/90/962087690.db2.gz KKKUNKZZKZBRLY-HNNXBMFYSA-N -1 0 341.407 3.566 20 0 EHADRM CC(C)(C)c1nc2ccc(NC(=O)N3CC[C@H](C(=O)[O-])C3)cc2s1 ZINC000262998228 962091244 /nfs/dbraw/zinc/09/12/44/962091244.db2.gz FRPDWQJIOYNYKN-JTQLQIEISA-N -1 0 347.440 3.532 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(OC(C)C)cc2)cc1 ZINC001340572911 962106736 /nfs/dbraw/zinc/10/67/36/962106736.db2.gz KINKXQOHDQBITE-SFHVURJKSA-N -1 0 341.407 3.728 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)N2CCCCC[C@@H]2/C=C/c2ccccc2)C1 ZINC001574593705 962137449 /nfs/dbraw/zinc/13/74/49/962137449.db2.gz JIQYBTRNOYYWPL-YLDLBQQMSA-N -1 0 342.439 3.517 20 0 EHADRM COc1cccc([C@H](C)CC(=O)Nc2ccc(C(=O)[O-])cc2C)c1 ZINC001341820165 962142428 /nfs/dbraw/zinc/14/24/28/962142428.db2.gz MWCURNFHDGEXOC-GFCCVEGCSA-N -1 0 327.380 3.834 20 0 EHADRM CCc1oc2ccccc2c1C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC001343707018 962168035 /nfs/dbraw/zinc/16/80/35/962168035.db2.gz TWKMXLBCQCQCLW-UHFFFAOYSA-N -1 0 335.359 3.896 20 0 EHADRM O=C([O-])c1cc(C(=O)Nc2cccc(CCCc3ccccc3)c2)[nH]n1 ZINC001574602113 962169048 /nfs/dbraw/zinc/16/90/48/962169048.db2.gz RBXBFYXWYBRMQM-UHFFFAOYSA-N -1 0 349.390 3.536 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC001574609330 962201307 /nfs/dbraw/zinc/20/13/07/962201307.db2.gz QGSWOOSZZNCKQZ-DTWKUNHWSA-N -1 0 336.800 3.513 20 0 EHADRM C[C@H]1CN(C(=O)C2(c3cccc(F)c3)CCCCC2)CC[C@H]1C(=O)[O-] ZINC000263062664 962203984 /nfs/dbraw/zinc/20/39/84/962203984.db2.gz STIZXVQCRKKJHQ-WMLDXEAASA-N -1 0 347.430 3.597 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)CC1CCC(c2ccccc2)CC1 ZINC000263066220 962206742 /nfs/dbraw/zinc/20/67/42/962206742.db2.gz BSPIDKBTZKQXMP-VSVYTNTFSA-N -1 0 329.440 3.672 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCC[C@@]2(CC=CCC2)C1)CC(=O)[O-] ZINC001588892794 962213337 /nfs/dbraw/zinc/21/33/37/962213337.db2.gz GSOQCVQHGTTZPF-LPHOPBHVSA-N -1 0 336.476 3.655 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1cc2cc(Cl)ccc2[nH]1)CC(=O)[O-] ZINC001588894241 962220831 /nfs/dbraw/zinc/22/08/31/962220831.db2.gz GHXCCKFVYOBUFC-NSHDSACASA-N -1 0 336.819 3.688 20 0 EHADRM CC(C)(C)Sc1ccc(NC(=O)N2CC[C@@H](C(=O)[O-])C2)cc1F ZINC000263078051 962221994 /nfs/dbraw/zinc/22/19/94/962221994.db2.gz HIKUNCTZCQOYEF-SNVBAGLBSA-N -1 0 340.420 3.655 20 0 EHADRM C[C@H](C(=O)N1CCC[C@@](C)(C(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000263081528 962225313 /nfs/dbraw/zinc/22/53/13/962225313.db2.gz USMSCHMSUCMKLA-MGPLVRAMSA-N -1 0 344.238 3.810 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1ccc(OC(C)(C)C)cc1)CC(=O)[O-] ZINC001588894618 962228570 /nfs/dbraw/zinc/22/85/70/962228570.db2.gz PUPRLTXIVVLRHI-AWEZNQCLSA-N -1 0 335.444 3.731 20 0 EHADRM O=C([O-])[C@H](C(=O)Oc1cnc2ccc(Cl)cc2c1)C1CCCC1 ZINC001574622376 962261542 /nfs/dbraw/zinc/26/15/42/962261542.db2.gz ZHORXEOQXGXDLH-OAHLLOKOSA-N -1 0 333.771 3.685 20 0 EHADRM CC(C)COc1ccc(C(C)(C)C(=O)NCCC(C)(C)C(=O)[O-])cc1 ZINC000263123099 962277424 /nfs/dbraw/zinc/27/74/24/962277424.db2.gz VMHIUTFJDXHODG-UHFFFAOYSA-N -1 0 349.471 3.616 20 0 EHADRM O=C([O-])C1(C(=O)OCc2cc3ccccc3s2)CCSCC1 ZINC001574638968 962329310 /nfs/dbraw/zinc/32/93/10/962329310.db2.gz SPGIJWNVLNSLGV-UHFFFAOYSA-N -1 0 336.434 3.543 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(C(=O)[C@@H]2Cc3ccccc32)CC1 ZINC000263177258 962331251 /nfs/dbraw/zinc/33/12/51/962331251.db2.gz ZGTXTJWPBNESBA-HXUWFJFHSA-N -1 0 349.430 3.506 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000263181155 962337138 /nfs/dbraw/zinc/33/71/38/962337138.db2.gz RJCFNJQFAZGZSG-UHFFFAOYSA-N -1 0 331.368 3.736 20 0 EHADRM CC1(C)[C@H](c2ccccc2)CCN1C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000263184465 962340146 /nfs/dbraw/zinc/34/01/46/962340146.db2.gz KQAXTTPGIMOPEC-ULQDDVLXSA-N -1 0 329.440 3.672 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000263195636 962349741 /nfs/dbraw/zinc/34/97/41/962349741.db2.gz JCZAPTVPSSYYRG-CHWSQXEVSA-N -1 0 329.371 3.831 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000263286596 962424573 /nfs/dbraw/zinc/42/45/73/962424573.db2.gz ZKUJDHDTWJBYMM-WFASDCNBSA-N -1 0 337.375 3.830 20 0 EHADRM Cc1ccc(CCN(Cc2ccco2)C(=O)CCCCC(=O)[O-])cc1 ZINC000263286515 962424684 /nfs/dbraw/zinc/42/46/84/962424684.db2.gz KREATRFPFMJZMC-UHFFFAOYSA-N -1 0 343.423 3.804 20 0 EHADRM Cc1ccc2c(c1)S[C@H](C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1)C2 ZINC001348492439 962449304 /nfs/dbraw/zinc/44/93/04/962449304.db2.gz KRDFSQOCGROZMW-SJCJKPOMSA-N -1 0 341.432 3.839 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)CC2CC(c3ccccc3)C2)c2ccccc21 ZINC000263335174 962482927 /nfs/dbraw/zinc/48/29/27/962482927.db2.gz NHINZXHMCPJRED-JFUPDXTOSA-N -1 0 335.403 3.785 20 0 EHADRM C[C@H](NC(=O)NC1CCC(C(=O)[O-])CC1)c1cccc(C2CC2)c1 ZINC000263356123 962511508 /nfs/dbraw/zinc/51/15/08/962511508.db2.gz JBRZJTLFQHGBCS-MKQDKFQKSA-N -1 0 330.428 3.568 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2CCCc2ccccc2)C1 ZINC000263363209 962520072 /nfs/dbraw/zinc/52/00/72/962520072.db2.gz YYHXBUFXZAINRZ-RCCFBDPRSA-N -1 0 329.440 3.501 20 0 EHADRM O=C([O-])CC1(C(=O)Nc2cccc(-c3ccccc3)c2)CCOCC1 ZINC001574671354 962550512 /nfs/dbraw/zinc/55/05/12/962550512.db2.gz HONBFPWLIJFDDY-UHFFFAOYSA-N -1 0 339.391 3.564 20 0 EHADRM O=C([O-])C1CCC(NC(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC000263392540 962552559 /nfs/dbraw/zinc/55/25/59/962552559.db2.gz QRIVQCPXQFENNI-GPQLOAJWSA-N -1 0 344.455 3.655 20 0 EHADRM Cc1c(C(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)cnn1C(C)C ZINC000263421034 962592597 /nfs/dbraw/zinc/59/25/97/962592597.db2.gz PLLUBPXLIKAAGD-MRXNPFEDSA-N -1 0 349.475 3.706 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000263446470 962631247 /nfs/dbraw/zinc/63/12/47/962631247.db2.gz RBQDQWYDXCAKNF-NSHDSACASA-N -1 0 335.787 3.702 20 0 EHADRM CC(C)c1ccc2c(c1)CN(C(=O)c1coc(/C=C\C(=O)[O-])c1)CC2 ZINC001588969428 962663526 /nfs/dbraw/zinc/66/35/26/962663526.db2.gz GOTQGDMFYPBROU-WAYWQWQTSA-N -1 0 339.391 3.699 20 0 EHADRM CC(C)c1ccccc1OCCC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001588973331 962672589 /nfs/dbraw/zinc/67/25/89/962672589.db2.gz PAJDRBJOATYIMD-UHFFFAOYSA-N -1 0 347.455 3.682 20 0 EHADRM O=C([O-])CCCNC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000263491527 962676117 /nfs/dbraw/zinc/67/61/17/962676117.db2.gz RJMMQSNCZZTCFS-OAHLLOKOSA-N -1 0 338.835 3.832 20 0 EHADRM Cc1c(C(=O)N2CCC[C@@H](C(=O)[O-])[C@H]2C)sc2cccc(F)c12 ZINC000263351933 1125483862 /nfs/dbraw/zinc/48/38/62/1125483862.db2.gz PZSBRHPBPSTZFP-GHMZBOCLSA-N -1 0 335.400 3.674 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)cc1 ZINC000263512001 962694110 /nfs/dbraw/zinc/69/41/10/962694110.db2.gz YDOTTZNZOCHTSV-KRWDZBQOSA-N -1 0 326.396 3.593 20 0 EHADRM COCc1cc(NC(=O)c2cc(C(C)C)oc2C)cc(C(=O)[O-])c1 ZINC000263524298 962705619 /nfs/dbraw/zinc/70/56/19/962705619.db2.gz IXYQCPJFUBROLM-UHFFFAOYSA-N -1 0 331.368 3.808 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@@H](C)Cc1ccccc1Cl ZINC000263535117 962713992 /nfs/dbraw/zinc/71/39/92/962713992.db2.gz OFPRIJQTJYLYCR-LBPRGKRZSA-N -1 0 325.836 3.668 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCC[C@H]2CCCc2ccccc2)o1 ZINC000263569345 962734649 /nfs/dbraw/zinc/73/46/49/962734649.db2.gz HJOXJNVIBUWJLS-INIZCTEOSA-N -1 0 341.407 3.995 20 0 EHADRM CC(C)n1ccc(NC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)n1 ZINC001588982742 962745807 /nfs/dbraw/zinc/74/58/07/962745807.db2.gz RHIXXTJPUPTJRR-UHFFFAOYSA-N -1 0 340.742 3.599 20 0 EHADRM CC(C)n1ncc2cc(NC(=O)/C=C\c3ccc(C(=O)[O-])o3)ccc21 ZINC001588987388 962762673 /nfs/dbraw/zinc/76/26/73/962762673.db2.gz YRESXJLZFWHRGE-YVMONPNESA-N -1 0 339.351 3.560 20 0 EHADRM CON(C(=O)[C@@H](C(=O)[O-])C(C)C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001574170409 962767513 /nfs/dbraw/zinc/76/75/13/962767513.db2.gz MTFZNYATPMXDSG-MFKMUULPSA-N -1 0 347.333 3.513 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(O)c(C(=O)[O-])c1)c1c[nH]c2ccccc21 ZINC001588994032 962823831 /nfs/dbraw/zinc/82/38/31/962823831.db2.gz KSMZBRWKORRPQW-NSHDSACASA-N -1 0 338.363 3.704 20 0 EHADRM COc1cc(NC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)cc2ccccc21 ZINC001574186041 962833759 /nfs/dbraw/zinc/83/37/59/962833759.db2.gz IAYWKAJDPHTTEP-OCCSQVGLSA-N -1 0 342.395 3.565 20 0 EHADRM O=C([O-])COc1ccc(C(=O)Nc2ccc3c(c2)CCCCC3)cc1 ZINC001574732605 962850805 /nfs/dbraw/zinc/85/08/05/962850805.db2.gz QZQYCEGETHOEDJ-UHFFFAOYSA-N -1 0 339.391 3.671 20 0 EHADRM C[C@H](Oc1ccccc1NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001526676158 962871117 /nfs/dbraw/zinc/87/11/17/962871117.db2.gz HIXXIVRFFBEHEO-CWRNSKLLSA-N -1 0 339.391 3.876 20 0 EHADRM C[C@H](CC1CCCC1)C(=O)N1CCCC[C@H]1c1ccc(C(=O)[O-])n1C ZINC001526767202 962909370 /nfs/dbraw/zinc/90/93/70/962909370.db2.gz XOFMSFZKIMFXEP-PBHICJAKSA-N -1 0 346.471 3.993 20 0 EHADRM O=C([O-])Cc1ccccc1CNC(=O)c1cc(Cl)sc1Cl ZINC000300464196 963010867 /nfs/dbraw/zinc/01/08/67/963010867.db2.gz VYTPNPAWSUEFDC-UHFFFAOYSA-N -1 0 344.219 3.612 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(C(=O)[O-])cn1)c1ccccc1C(F)(F)F ZINC001573363041 963045578 /nfs/dbraw/zinc/04/55/78/963045578.db2.gz ITKPGZNXYDMAQT-SECBINFHSA-N -1 0 338.285 3.541 20 0 EHADRM CC(C)(C)C[C@H]1CCN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000307838057 963232258 /nfs/dbraw/zinc/23/22/58/963232258.db2.gz XKIJNXISVFDQEJ-SNVBAGLBSA-N -1 0 340.370 3.953 20 0 EHADRM CC(C)(CNC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)C1=CCCC1 ZINC000308760358 963300557 /nfs/dbraw/zinc/30/05/57/963300557.db2.gz FYIWIEJEQYBJJV-QGZVFWFLSA-N -1 0 342.439 3.517 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC000315297439 963876920 /nfs/dbraw/zinc/87/69/20/963876920.db2.gz IJESFHXFLNBYHQ-SECBINFHSA-N -1 0 336.800 3.553 20 0 EHADRM C[C@@H](Nc1ccc(OC(F)(F)F)cc1)c1ncc(C(=O)[O-])s1 ZINC000315447162 963903247 /nfs/dbraw/zinc/90/32/47/963903247.db2.gz XVIQAQHKOVCXHC-SSDOTTSWSA-N -1 0 332.303 3.913 20 0 EHADRM O=C([O-])c1cc(F)ccc1COc1cc([N+](=O)[O-])ccc1Cl ZINC000315566571 963915495 /nfs/dbraw/zinc/91/54/95/963915495.db2.gz JWCCVUSKBJSNFM-UHFFFAOYSA-N -1 0 325.679 3.665 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1cc(Cl)ncc1Cl ZINC000235800446 967768819 /nfs/dbraw/zinc/76/88/19/967768819.db2.gz DXKOFITUEMYFPC-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM CC(F)(F)c1ccccc1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263196027 967859959 /nfs/dbraw/zinc/85/99/59/967859959.db2.gz WNUBFEORPFXFCE-UHFFFAOYSA-N -1 0 326.343 3.563 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cncc(-c2ccccc2)c1 ZINC000263209593 967861602 /nfs/dbraw/zinc/86/16/02/967861602.db2.gz WKQZMUCFKMDDOC-GOSISDBHSA-N -1 0 338.407 3.608 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000263222309 967863270 /nfs/dbraw/zinc/86/32/70/967863270.db2.gz PINWFKZSHXUNPM-SDDRHHMPSA-N -1 0 341.860 3.532 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)N[C@@H](C)c2cc(C)sc2C)C1 ZINC000320423530 968005714 /nfs/dbraw/zinc/00/57/14/968005714.db2.gz IBWQNWOBQSVBNH-SJCJKPOMSA-N -1 0 338.473 3.712 20 0 EHADRM C[C@@H]1CCC[C@@H](n2c(=O)c3ccccc3nc2SCC(=O)[O-])[C@H]1C ZINC000323833430 968027219 /nfs/dbraw/zinc/02/72/19/968027219.db2.gz INVSURROGMTKAG-TYNCELHUSA-N -1 0 346.452 3.570 20 0 EHADRM Cc1c(C(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])sc2cccc(F)c12 ZINC000324434595 968032167 /nfs/dbraw/zinc/03/21/67/968032167.db2.gz VPVISZOBXDJPLV-YMTOWFKASA-N -1 0 335.400 3.674 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)/C=C/c1ccc(Cl)cc1 ZINC000324415848 968032326 /nfs/dbraw/zinc/03/23/26/968032326.db2.gz SBWKSIQLISQFOH-RUJXFNLJSA-N -1 0 341.794 3.564 20 0 EHADRM CC(C)c1ccccc1NC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000325131005 968036517 /nfs/dbraw/zinc/03/65/17/968036517.db2.gz KTYBRKXVBFSKCY-QGZVFWFLSA-N -1 0 326.396 3.627 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)c1cccc2cccnc21 ZINC000327294462 968048249 /nfs/dbraw/zinc/04/82/49/968048249.db2.gz KTSUUCOHJVVHCN-UHFFFAOYSA-N -1 0 332.359 3.526 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000391890336 968192868 /nfs/dbraw/zinc/19/28/68/968192868.db2.gz CDRIHPKVOKWPPU-UHFFFAOYSA-N -1 0 329.283 3.536 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1ccc(-c2ccccn2)cc1)C(=O)[O-] ZINC000424393583 968360932 /nfs/dbraw/zinc/36/09/32/968360932.db2.gz WMLRQESIFWZVEZ-HNNXBMFYSA-N -1 0 341.411 3.617 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1csc(C(F)(F)F)c1)CC(=O)[O-] ZINC000630199707 968531506 /nfs/dbraw/zinc/53/15/06/968531506.db2.gz HAJTVYZRRNOFOS-VIFPVBQESA-N -1 0 337.363 3.634 20 0 EHADRM CSc1ccc(NC(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1Cl ZINC000630561343 968536665 /nfs/dbraw/zinc/53/66/65/968536665.db2.gz FUBZGRLARRUCMV-MWLCHTKSSA-N -1 0 342.848 3.636 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655579705 968686217 /nfs/dbraw/zinc/68/62/17/968686217.db2.gz WZAAQXIBACAMIF-MGBSGCIJSA-N -1 0 349.446 3.646 20 0 EHADRM Cc1cccc2cc(C(=O)N[C@H](C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)oc21 ZINC000655581412 968687131 /nfs/dbraw/zinc/68/71/31/968687131.db2.gz YLYLDOREMOWMJH-KWCYVHTRSA-N -1 0 329.396 3.606 20 0 EHADRM Cc1ccc(C)c([C@@H]2CCCN2C(=O)NC[C@@H](C(=O)[O-])C(C)C)c1 ZINC000655894054 968708924 /nfs/dbraw/zinc/70/89/24/968708924.db2.gz UYCPRKYJDKIBKM-SJORKVTESA-N -1 0 332.444 3.507 20 0 EHADRM C[C@@H](Nc1ccnc(-c2ccccc2)n1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656091523 968715760 /nfs/dbraw/zinc/71/57/60/968715760.db2.gz FNZSTRMWCZGWDT-VHDGCEQUSA-N -1 0 325.412 3.691 20 0 EHADRM CCOc1cccc2cc([C@@H](C)NC(=O)[C@]3(C(=O)[O-])CC3(C)C)oc21 ZINC000663093468 968799075 /nfs/dbraw/zinc/79/90/75/968799075.db2.gz BAEZQSKZNGAGAF-WYRIXSBYSA-N -1 0 345.395 3.510 20 0 EHADRM Cc1coc(-c2cc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)ccc2C)n1 ZINC000663116876 968819811 /nfs/dbraw/zinc/81/98/11/968819811.db2.gz KQJPTQZRWHLGJI-AWEZNQCLSA-N -1 0 330.384 3.644 20 0 EHADRM O=C(/C=C/c1ccc(C(=O)[O-])o1)Nc1ccc(N2CCCCC2)cc1 ZINC000901882532 969485901 /nfs/dbraw/zinc/48/59/01/969485901.db2.gz LUSVSFSLUOLPAX-PKNBQFBNSA-N -1 0 340.379 3.620 20 0 EHADRM Cc1nc2c(Cl)cccc2cc1C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000902000144 969505341 /nfs/dbraw/zinc/50/53/41/969505341.db2.gz YDLJRBDKUDOEOE-ZDUSSCGKSA-N -1 0 346.814 3.666 20 0 EHADRM C[C@@]1(C2CCCCC2)CCN1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001573678846 969826170 /nfs/dbraw/zinc/82/61/70/969826170.db2.gz QLNRBWJDWGLWAR-IBGZPJMESA-N -1 0 330.428 3.639 20 0 EHADRM Cc1cc(NC(=O)Nc2ccc(C(=O)[O-])cc2F)nn1[C@@H](C)C1CC1 ZINC001607689393 970394492 /nfs/dbraw/zinc/39/44/92/970394492.db2.gz GDORUZZOKUELMQ-JTQLQIEISA-N -1 0 346.362 3.644 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(C)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000318869735 970482903 /nfs/dbraw/zinc/48/29/03/970482903.db2.gz JZWCDEHKCRSZKC-NSHDSACASA-N -1 0 326.824 3.543 20 0 EHADRM Cc1ccc(NC(=O)c2cc(Cl)c(Cl)nc2C)cc1C(=O)[O-] ZINC000319183778 970511564 /nfs/dbraw/zinc/51/15/64/970511564.db2.gz KFDQBLZANIZTSJ-UHFFFAOYSA-N -1 0 339.178 3.956 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)CCc1nc2ccccc2s1 ZINC000319789650 970572300 /nfs/dbraw/zinc/57/23/00/970572300.db2.gz HOECXSWGYAJXJJ-UHFFFAOYSA-N -1 0 326.377 3.566 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)Nc2cccc(Cl)c2F)c1 ZINC000320415169 970660743 /nfs/dbraw/zinc/66/07/43/970660743.db2.gz OMPWMUHZHGJMHN-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM COc1cc(CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])ccc1C ZINC000320632573 970688055 /nfs/dbraw/zinc/68/80/55/970688055.db2.gz GNQDBWSKKDANPO-UHFFFAOYSA-N -1 0 333.409 3.561 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)CCSc1ccccc1F ZINC000320660751 970693512 /nfs/dbraw/zinc/69/35/12/970693512.db2.gz LOYYJENJXZDJOB-UHFFFAOYSA-N -1 0 337.347 3.784 20 0 EHADRM O=C([O-])c1ccc(SCc2nc(-c3ccc(F)cc3)no2)cc1 ZINC000320679801 970698273 /nfs/dbraw/zinc/69/82/73/970698273.db2.gz OLIIRVIZWQJKII-UHFFFAOYSA-N -1 0 330.340 3.866 20 0 EHADRM CCC(CC)N(CCOC)C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000320965316 970732879 /nfs/dbraw/zinc/73/28/79/970732879.db2.gz ZARYURAKTCGIGR-UHFFFAOYSA-N -1 0 342.823 3.707 20 0 EHADRM Cc1cccc(Cl)c1NC(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000320971443 970733086 /nfs/dbraw/zinc/73/30/86/970733086.db2.gz OSRWUWVIZLDLJN-UHFFFAOYSA-N -1 0 332.787 3.711 20 0 EHADRM O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1F ZINC000321013791 970737284 /nfs/dbraw/zinc/73/72/84/970737284.db2.gz SXPXLUNPVMYZOH-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM O=C([O-])c1ccc2ccccc2c1OCCCOCC(F)(F)F ZINC000321118734 970744538 /nfs/dbraw/zinc/74/45/38/970744538.db2.gz IYAWKZYDZJQMLR-UHFFFAOYSA-N -1 0 328.286 3.886 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)c1cccc(-n2cccc2)c1 ZINC000392995278 972553870 /nfs/dbraw/zinc/55/38/70/972553870.db2.gz HQRIDVBNPUQDHI-SFHVURJKSA-N -1 0 340.423 3.631 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2ccc(F)c3ccccc23)c1 ZINC000393064600 972560744 /nfs/dbraw/zinc/56/07/44/972560744.db2.gz RSWWGSRSWYVMFV-UHFFFAOYSA-N -1 0 339.322 3.938 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1ccn(-c2ccc(Cl)cc2)n1 ZINC001605878662 972660069 /nfs/dbraw/zinc/66/00/69/972660069.db2.gz IYPBARSDZUCGCQ-UHFFFAOYSA-N -1 0 347.783 3.538 20 0 EHADRM CC1(C)CCc2ccccc2[C@@H](NC(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC001603329143 972688730 /nfs/dbraw/zinc/68/87/30/972688730.db2.gz ANWRUQYJKQMJEH-KRWDZBQOSA-N -1 0 338.407 3.613 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12)c1ccc(F)cc1 ZINC001605903148 972742669 /nfs/dbraw/zinc/74/26/69/972742669.db2.gz FPTWQIJILLQWME-KKBVYLPWSA-N -1 0 333.403 3.674 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NCCCO[C@@H](C)c2ccccc2)c1 ZINC001605138878 972805003 /nfs/dbraw/zinc/80/50/03/972805003.db2.gz STJXPEYENXEMJO-HNNXBMFYSA-N -1 0 341.407 3.591 20 0 EHADRM Cc1cc(C)c(/C=C/C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1C ZINC001605146468 972831187 /nfs/dbraw/zinc/83/11/87/972831187.db2.gz NIVATNPEOHYPCE-RQWLHQTBSA-N -1 0 337.419 3.741 20 0 EHADRM Cc1cc(C)c(CCNC(=O)Nc2cccc(CC(=O)[O-])c2)c(C)c1 ZINC001605146564 972832339 /nfs/dbraw/zinc/83/23/39/972832339.db2.gz WQKPJOCKYSSWCO-UHFFFAOYSA-N -1 0 340.423 3.603 20 0 EHADRM O=C([O-])C1(C(=O)NCCCc2c[nH]c3ccccc23)CCCCCC1 ZINC001605925256 972837917 /nfs/dbraw/zinc/83/79/17/972837917.db2.gz LESKVLLZMKBNLG-UHFFFAOYSA-N -1 0 342.439 3.642 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2nc3c(cccc3Cl)s2)CC=CCC1 ZINC001605943600 972895166 /nfs/dbraw/zinc/89/51/66/972895166.db2.gz CBIOMYLSBIHCPV-HNNXBMFYSA-N -1 0 336.800 3.699 20 0 EHADRM C[C@H]1CC(C)(C)c2cccc(NC(=O)C3(CC(=O)[O-])CCOCC3)c21 ZINC001603371348 972897349 /nfs/dbraw/zinc/89/73/49/972897349.db2.gz FKBRQVQMKTZSKY-ZDUSSCGKSA-N -1 0 345.439 3.681 20 0 EHADRM CC(C)C[C@H]1CCCN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000396760958 972936228 /nfs/dbraw/zinc/93/62/28/972936228.db2.gz LYLRRBOZAIVXLX-SNVBAGLBSA-N -1 0 326.343 3.705 20 0 EHADRM O=C([O-])C1(c2noc(CCSc3ccc(Cl)cc3)n2)CCC1 ZINC001605963520 972938969 /nfs/dbraw/zinc/93/89/69/972938969.db2.gz DKBTXYAWYBRGSG-UHFFFAOYSA-N -1 0 338.816 3.564 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1ccc(COC(C)(C)C)cc1 ZINC001603381232 972958970 /nfs/dbraw/zinc/95/89/70/972958970.db2.gz PFNVBMOLYGJXFJ-DZGCQCFKSA-N -1 0 348.443 3.719 20 0 EHADRM Cc1cc2scc(CC(=O)N3C[C@H](C(=O)[O-])CC[C@H]3C)c2s1 ZINC001605232632 972986175 /nfs/dbraw/zinc/98/61/75/972986175.db2.gz BILHZYYUAYPKTM-MWLCHTKSSA-N -1 0 337.466 3.525 20 0 EHADRM Cc1sc(NC(=O)[C@H](C(=O)[O-])C(C)C)nc1-c1ccc(C)cc1 ZINC001605237695 972992888 /nfs/dbraw/zinc/99/28/88/972992888.db2.gz JEOZIPVVMAUNMI-CYBMUJFWSA-N -1 0 332.425 3.722 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCCC3(CCCC3)C2)c2ccccc21 ZINC001605977368 973004187 /nfs/dbraw/zinc/00/41/87/973004187.db2.gz JQJVMRFLVZRMBD-DLBZAZTESA-N -1 0 342.439 3.665 20 0 EHADRM Cc1ccc(CN(C(=O)Nc2ccnc(C(=O)[O-])c2)C(C)C)s1 ZINC001605273181 973058623 /nfs/dbraw/zinc/05/86/23/973058623.db2.gz MDQYTEKPVRJIBH-UHFFFAOYSA-N -1 0 333.413 3.592 20 0 EHADRM Cc1ccc(SC[C@H](C)NC(=O)c2coc(/C=C/C(=O)[O-])c2)cc1 ZINC001605307225 973123690 /nfs/dbraw/zinc/12/36/90/973123690.db2.gz GELWXLWEPMIDMM-LJLILKBBSA-N -1 0 345.420 3.596 20 0 EHADRM Cc1ccc(SC[C@H](C)NC(=O)c2coc(/C=C\C(=O)[O-])c2)cc1 ZINC001605307227 973124622 /nfs/dbraw/zinc/12/46/22/973124622.db2.gz GELWXLWEPMIDMM-UJZCVKTISA-N -1 0 345.420 3.596 20 0 EHADRM Cc1cccc([C@@H](NC(=O)Nc2ncc(C(C)(C)C)s2)C(=O)[O-])c1 ZINC001605327517 973168354 /nfs/dbraw/zinc/16/83/54/973168354.db2.gz DFVJWJRFCSTKDR-CYBMUJFWSA-N -1 0 347.440 3.696 20 0 EHADRM CO[C@H](C(=O)[O-])C(=O)N(c1ccccc1)[C@H](C)c1ccc(Cl)cc1 ZINC001604419735 973173671 /nfs/dbraw/zinc/17/36/71/973173671.db2.gz BTKHASAOMIZEDI-WBMJQRKESA-N -1 0 347.798 3.534 20 0 EHADRM Cc1cccc(C2(CNC(=O)[C@]3(C(=O)[O-])CC=CCC3)CCCC2)c1 ZINC001605335905 973223176 /nfs/dbraw/zinc/22/31/76/973223176.db2.gz UXSJRWVWVCWXKC-NRFANRHFSA-N -1 0 341.451 3.734 20 0 EHADRM C[C@@H]1CN(C(=O)C(C)(C)c2cccc3ccccc32)CC[C@H]1C(=O)[O-] ZINC001603440663 973227188 /nfs/dbraw/zinc/22/71/88/973227188.db2.gz ZQTIYDVRMDKCRO-GDBMZVCRSA-N -1 0 339.435 3.687 20 0 EHADRM O=C([O-])CC1(NC(=O)C(F)(F)c2ccc(Cl)cc2)CCCCC1 ZINC001606077886 973235759 /nfs/dbraw/zinc/23/57/59/973235759.db2.gz NUMMXMJYSWGVKK-UHFFFAOYSA-N -1 0 345.773 3.726 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)NCC1(C(=O)[O-])CCC1)C(C)(C)C ZINC001605350958 973254930 /nfs/dbraw/zinc/25/49/30/973254930.db2.gz IDEXOAJVZRVJEG-OAHLLOKOSA-N -1 0 332.444 3.636 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)Cc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000400439732 973278635 /nfs/dbraw/zinc/27/86/35/973278635.db2.gz KJZOYWZEFNDLCA-RNCFNFMXSA-N -1 0 332.227 3.542 20 0 EHADRM CCCc1sc(C(=O)N[C@H](C[C@H](C)CC)C(=O)[O-])cc1CC ZINC000400741231 973311270 /nfs/dbraw/zinc/31/12/70/973311270.db2.gz SIXUGALJKBFOGJ-DGCLKSJQSA-N -1 0 325.474 3.882 20 0 EHADRM CC(C)=CCC[C@H](C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000400756214 973312266 /nfs/dbraw/zinc/31/22/66/973312266.db2.gz GCWOZUDQBGMKQR-MAUKXSAKSA-N -1 0 329.440 3.797 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000401466810 973367385 /nfs/dbraw/zinc/36/73/85/973367385.db2.gz YHAIFFBYIAGKGT-KRWDZBQOSA-N -1 0 325.408 3.973 20 0 EHADRM CC[C@@H](C(=O)NC1(C(=O)[O-])CCCC1)c1cccc(C(F)(F)F)c1 ZINC001603488222 973416495 /nfs/dbraw/zinc/41/64/95/973416495.db2.gz IQEFPACOANSSBR-CYBMUJFWSA-N -1 0 343.345 3.713 20 0 EHADRM CC[C@H](C(=O)N[C@H](C(=O)[O-])c1cccc(C)c1)c1ccc(F)cc1 ZINC001603488728 973421327 /nfs/dbraw/zinc/42/13/27/973421327.db2.gz RBOWBXHFUDYTKK-IRXDYDNUSA-N -1 0 329.371 3.570 20 0 EHADRM Cc1nc2c(F)cccc2cc1C(=O)Nc1ccccc1CC(=O)[O-] ZINC001605416403 973425368 /nfs/dbraw/zinc/42/53/68/973425368.db2.gz GVFVONRCWRYFRC-UHFFFAOYSA-N -1 0 338.338 3.562 20 0 EHADRM Cc1occ(C(F)(F)F)c1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001605459992 973551433 /nfs/dbraw/zinc/55/14/33/973551433.db2.gz YIQZCIDCBJMJSM-UHFFFAOYSA-N -1 0 331.221 3.696 20 0 EHADRM CCC(CC)(CNC(=O)[C@H]1CCC[C@H]1Cc1ccccc1)C(=O)[O-] ZINC001603532357 973583105 /nfs/dbraw/zinc/58/31/05/973583105.db2.gz RBIRMBKYRJFVKY-IRXDYDNUSA-N -1 0 331.456 3.653 20 0 EHADRM CCC(CC)(CNC(=O)N[C@@]1(c2ccccc2)CC1(C)C)C(=O)[O-] ZINC001603535450 973588551 /nfs/dbraw/zinc/58/85/51/973588551.db2.gz ODLCROXWBRBUFR-LJQANCHMSA-N -1 0 332.444 3.502 20 0 EHADRM CN(C[C@@H]1CC=CCC1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000402495329 973610929 /nfs/dbraw/zinc/61/09/29/973610929.db2.gz CKXJHWBUAZGTKH-CQSZACIVSA-N -1 0 330.428 3.869 20 0 EHADRM CC[C@@H](CNC(=O)Nc1ccc(OC2CCCCC2)cc1)C(=O)[O-] ZINC001603565844 973688133 /nfs/dbraw/zinc/68/81/33/973688133.db2.gz MNWOJUCKBPJILT-ZDUSSCGKSA-N -1 0 334.416 3.630 20 0 EHADRM O=C([O-])c1ccc([N+](=O)[O-])c(Nc2ccc3c(c2)CCCCC3)n1 ZINC000404568747 973734126 /nfs/dbraw/zinc/73/41/26/973734126.db2.gz ZCVKONUVKVVNKE-UHFFFAOYSA-N -1 0 327.340 3.701 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cscc2Br)cc1F ZINC000404957947 973757444 /nfs/dbraw/zinc/75/74/44/973757444.db2.gz SSRJNTQQAVORMG-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)/C=C/c1cc(Cl)cc(Cl)c1 ZINC000405241328 973798393 /nfs/dbraw/zinc/79/83/93/973798393.db2.gz CBDILBLJTAODDC-DAOXELNNSA-N -1 0 342.222 3.766 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1 ZINC000107946722 1014141387 /nfs/dbraw/zinc/14/13/87/1014141387.db2.gz BGMSIGLDRNMMMX-DMZKTXOQSA-N -1 0 335.856 3.633 20 0 EHADRM O=C([O-])[C@@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC1CC1 ZINC000405269511 973809126 /nfs/dbraw/zinc/80/91/26/973809126.db2.gz TVOYZHCASADRSO-SECBINFHSA-N -1 0 332.278 3.526 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1ccc(Oc2ccccc2)cc1)CC1CC1 ZINC000405298369 973820026 /nfs/dbraw/zinc/82/00/26/973820026.db2.gz HEJXQSIHBAFPIC-MRXNPFEDSA-N -1 0 339.391 3.710 20 0 EHADRM O=C([O-])[C@H](CNC(=O)Nc1ccc(Cl)cc1Cl)CC1CC1 ZINC000405314056 973825263 /nfs/dbraw/zinc/82/52/63/973825263.db2.gz OKIBJLBOLVYYKX-VIFPVBQESA-N -1 0 331.199 3.616 20 0 EHADRM COc1c(C)cc(C(=O)N2CCCc3cc(C(=O)[O-])ccc32)cc1C ZINC001604669473 973860672 /nfs/dbraw/zinc/86/06/72/973860672.db2.gz PJBIDKXZJTZTPX-UHFFFAOYSA-N -1 0 339.391 3.603 20 0 EHADRM COc1cc(C)c(NC(=O)c2coc(/C=C\C(=O)[O-])c2)c(C)c1C ZINC001604695219 973890909 /nfs/dbraw/zinc/89/09/09/973890909.db2.gz AKZSJGWDGLIEIH-WAYWQWQTSA-N -1 0 329.352 3.564 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)C2(c3cccc(F)c3)CC2)cc1 ZINC000414443605 973938738 /nfs/dbraw/zinc/93/87/38/973938738.db2.gz DCFSQJPPWJDFMV-LBPRGKRZSA-N -1 0 327.355 3.684 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)C[C@H]2CCOc3ccccc32)cc1 ZINC000414462321 973941533 /nfs/dbraw/zinc/94/15/33/973941533.db2.gz ZHHXHHGQVUJHSL-DZGCQCFKSA-N -1 0 339.391 3.770 20 0 EHADRM CC[C@@H](NC(=O)NCCCCCC(=O)[O-])C(C)(C)c1ccccc1 ZINC000414626278 973943564 /nfs/dbraw/zinc/94/35/64/973943564.db2.gz KERLUFAVHFHXAV-MRXNPFEDSA-N -1 0 334.460 3.687 20 0 EHADRM CC(C)(C)OC(=O)c1cccc(CN[C@@H](C(=O)[O-])c2cccs2)c1 ZINC000417551501 973960866 /nfs/dbraw/zinc/96/08/66/973960866.db2.gz ALRUXDRIPSXKKD-OAHLLOKOSA-N -1 0 347.436 3.619 20 0 EHADRM Cc1c(F)cccc1-c1ccc(CN[C@@H](CC(F)F)C(=O)[O-])o1 ZINC000417594209 973963295 /nfs/dbraw/zinc/96/32/95/973963295.db2.gz MBTUPJMYOXCRHW-ZDUSSCGKSA-N -1 0 327.302 3.592 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NCc2cnc([C@H]3CCCO3)s2)cc1 ZINC000417623850 973964992 /nfs/dbraw/zinc/96/49/92/973964992.db2.gz JMXKDZLAAFMGAH-OAHLLOKOSA-N -1 0 346.452 3.969 20 0 EHADRM Cc1nc(-c2ccccc2)sc1NC(=O)NCCCCCC(=O)[O-] ZINC000417788232 973968659 /nfs/dbraw/zinc/96/86/59/973968659.db2.gz LQSVCJHYHJOSNV-UHFFFAOYSA-N -1 0 347.440 3.885 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)Cc1cccc(Cl)c1F ZINC001606502056 973989167 /nfs/dbraw/zinc/98/91/67/973989167.db2.gz AWZQPJABDXQMCT-UHFFFAOYSA-N -1 0 347.773 3.699 20 0 EHADRM O=C([O-])c1cccc(C(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC001606508572 973999019 /nfs/dbraw/zinc/99/90/19/973999019.db2.gz QWJSLYDJPLIFSM-DYVFJYSZSA-N -1 0 327.355 3.590 20 0 EHADRM CCCCN(C)c1ccc(NC(=O)N[C@H](CC(C)C)C(=O)[O-])cc1 ZINC001603647442 974004874 /nfs/dbraw/zinc/00/48/74/974004874.db2.gz PSSROLBQAKSKQR-MRXNPFEDSA-N -1 0 335.448 3.544 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N1CC2(CCC2)[C@@H]1c1ccncc1 ZINC001606522871 974024140 /nfs/dbraw/zinc/02/41/40/974024140.db2.gz NFNDXYOVVGNNFA-INIZCTEOSA-N -1 0 337.379 3.539 20 0 EHADRM COCc1cc(NC(=O)c2cccc(C)c2Cl)cc(C(=O)[O-])c1 ZINC000427682867 974054213 /nfs/dbraw/zinc/05/42/13/974054213.db2.gz OQXQKMQHVDOORR-UHFFFAOYSA-N -1 0 333.771 3.745 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)C1 ZINC000427775756 974058740 /nfs/dbraw/zinc/05/87/40/974058740.db2.gz VGGFXIBFIZAEBG-NQZOLGFYSA-N -1 0 349.858 3.793 20 0 EHADRM C[C@H](C(=O)[O-])N(C)C(=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000427979237 974060063 /nfs/dbraw/zinc/06/00/63/974060063.db2.gz OBBHVQSXYUVBMT-LLVKDONJSA-N -1 0 333.771 3.677 20 0 EHADRM C[C@@H](C(=O)[O-])N(C)C(=O)c1cc2c(s1)-c1ccccc1C(C)(C)C2 ZINC000427987197 974060394 /nfs/dbraw/zinc/06/03/94/974060394.db2.gz JXRAMSUCDZEHJS-NSHDSACASA-N -1 0 343.448 3.794 20 0 EHADRM CCCOc1ccc(COC(=O)[C@@H](C(=O)[O-])C2CCCC2)c(C)c1 ZINC001603680248 974070985 /nfs/dbraw/zinc/07/09/85/974070985.db2.gz FELMGCDVHHXGAY-QGZVFWFLSA-N -1 0 334.412 3.718 20 0 EHADRM O=C([O-])C1(CNC(=O)c2cc3ccc(Cl)cc3[nH]2)CCCCC1 ZINC000431871028 974077433 /nfs/dbraw/zinc/07/74/33/974077433.db2.gz OYHAEHLPLFFARV-UHFFFAOYSA-N -1 0 334.803 3.586 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000432009728 974084491 /nfs/dbraw/zinc/08/44/91/974084491.db2.gz YDQOHHVOBCYDPQ-ZDUSSCGKSA-N -1 0 343.427 3.760 20 0 EHADRM C[C@@]1(NC(=O)CSc2ccccc2Cl)CCCC[C@@H]1C(=O)[O-] ZINC000432124244 974090442 /nfs/dbraw/zinc/09/04/42/974090442.db2.gz YTCXSVHEYAPOBD-BDJLRTHQSA-N -1 0 341.860 3.582 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N2CCC[C@@H]2/C=C\c2ccccc2)c1 ZINC000432128581 974091195 /nfs/dbraw/zinc/09/11/95/974091195.db2.gz GNHLBNCGPHNWAZ-YAINUAMHSA-N -1 0 335.403 3.632 20 0 EHADRM Cc1cc(C)cc([C@@H]2CCN(C(=O)c3ccc(C(=O)[O-])cc3F)C2)c1 ZINC000432138156 974092362 /nfs/dbraw/zinc/09/23/62/974092362.db2.gz WKXMXRPOIGCQIZ-OAHLLOKOSA-N -1 0 341.382 3.770 20 0 EHADRM CCN(C(=O)CC(C)(C)Cc1ccc(Cl)cc1)[C@@H](C)C(=O)[O-] ZINC001603705357 974105567 /nfs/dbraw/zinc/10/55/67/974105567.db2.gz CSKLBCXHEDLCPL-LBPRGKRZSA-N -1 0 325.836 3.620 20 0 EHADRM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000439790221 974110234 /nfs/dbraw/zinc/11/02/34/974110234.db2.gz HNWYWXJTUAYQSC-SUMWQHHRSA-N -1 0 327.380 3.900 20 0 EHADRM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC000439797267 974110313 /nfs/dbraw/zinc/11/03/13/974110313.db2.gz ZXPUQCPUNBVFAL-GTNSWQLSSA-N -1 0 345.345 3.886 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000439920467 974112434 /nfs/dbraw/zinc/11/24/34/974112434.db2.gz MJFJPGWWAYJLSO-LRDDRELGSA-N -1 0 331.799 3.840 20 0 EHADRM C[C@H](NC(=O)CC(C)(C)CC(=O)[O-])c1cccc(OC(F)(F)F)c1 ZINC000440500124 974116834 /nfs/dbraw/zinc/11/68/34/974116834.db2.gz AKSDYKQLZVVBLD-JTQLQIEISA-N -1 0 347.333 3.653 20 0 EHADRM COc1cc(SC)ccc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000446063385 974122430 /nfs/dbraw/zinc/12/24/30/974122430.db2.gz YDZQHDNOFPWSQK-UHFFFAOYSA-N -1 0 337.441 3.781 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N2CCC[C@@H]2c2cccc(Cl)c2)cc1 ZINC000448986264 974126845 /nfs/dbraw/zinc/12/68/45/974126845.db2.gz BVOFIUMOYONXFY-QGZVFWFLSA-N -1 0 343.810 3.944 20 0 EHADRM CCOc1ccccc1NC(=O)[C@@H](SCC(=O)[O-])c1ccccc1 ZINC001605713869 974146346 /nfs/dbraw/zinc/14/63/46/974146346.db2.gz GPYQFASZKZMPFL-KRWDZBQOSA-N -1 0 345.420 3.583 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N[C@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC000450524809 974147075 /nfs/dbraw/zinc/14/70/75/974147075.db2.gz PBCHKBSEBNYSGO-LJQANCHMSA-N -1 0 347.386 3.970 20 0 EHADRM Cc1cc(C)cc(C[C@@H](C)NC(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000478862964 974213938 /nfs/dbraw/zinc/21/39/38/974213938.db2.gz XXCKKQIGRNPTOH-CYBMUJFWSA-N -1 0 329.371 3.502 20 0 EHADRM C[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccc(Oc2ccccc2)c(F)c1 ZINC000485661859 974231261 /nfs/dbraw/zinc/23/12/61/974231261.db2.gz BZSRRFSDFSCABZ-GLQYFDAESA-N -1 0 343.354 3.516 20 0 EHADRM CCc1ccsc1C(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000485733228 974235296 /nfs/dbraw/zinc/23/52/96/974235296.db2.gz MOULDORBOQEKGQ-CYBMUJFWSA-N -1 0 331.437 3.674 20 0 EHADRM CC(C)(C)c1ccc(CCNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000498662097 974265652 /nfs/dbraw/zinc/26/56/52/974265652.db2.gz XUYNFGLLBQKHNX-HZPDHXFCSA-N -1 0 331.456 3.534 20 0 EHADRM CCO[C@H](C)c1nc(CN(C)[C@H](C(=O)[O-])c2ccccc2C)cs1 ZINC000515491479 974299152 /nfs/dbraw/zinc/29/91/52/974299152.db2.gz GPZDWZGWDUJROO-CJNGLKHVSA-N -1 0 348.468 3.807 20 0 EHADRM C[C@H](C(=O)NCC1(CC(=O)[O-])CCCCC1)c1c(F)cccc1F ZINC000515595228 974300215 /nfs/dbraw/zinc/30/02/15/974300215.db2.gz OWXJBEVDUSLOKL-LBPRGKRZSA-N -1 0 339.382 3.610 20 0 EHADRM O=C([O-])CC1(NC(=O)c2ccc(CSc3ccccc3)cc2)CC1 ZINC000515856485 974302685 /nfs/dbraw/zinc/30/26/85/974302685.db2.gz VIJXBIKJHCSZFY-UHFFFAOYSA-N -1 0 341.432 3.716 20 0 EHADRM CCO[C@@H]1C[C@@H](NC(=O)C2(C(=O)[O-])CCCCCC2)C1(CC)CC ZINC001603825198 974319932 /nfs/dbraw/zinc/31/99/32/974319932.db2.gz DYCBUIQBHHFRNS-HUUCEWRRSA-N -1 0 339.476 3.512 20 0 EHADRM O=C([O-])[C@@H]1CCCN1C(=O)c1cc2cc(C(F)(F)F)ccc2s1 ZINC000518397138 974323032 /nfs/dbraw/zinc/32/30/32/974323032.db2.gz FSGBZFJCFWSRGM-JTQLQIEISA-N -1 0 343.326 3.609 20 0 EHADRM Cc1ccc(C(C)(C)C)cc1S([O-])=CC(=O)N1CCCC[C@@H]1C ZINC000107959013 1014185844 /nfs/dbraw/zinc/18/58/44/1014185844.db2.gz XUGFLUYZOZYYSA-WNSKOXEYSA-N -1 0 335.513 3.801 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)CCc2cccc(Cl)c2)c1 ZINC000526971820 974351508 /nfs/dbraw/zinc/35/15/08/974351508.db2.gz JTIMFHFTOVCUBF-UHFFFAOYSA-N -1 0 331.799 3.929 20 0 EHADRM CCc1cccc(OCC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000530354547 974366172 /nfs/dbraw/zinc/36/61/72/974366172.db2.gz YAEYAKGCUVAUME-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM Cc1c(C(=O)Nc2cc(C(=O)[O-])ccc2C)cnn1-c1ccccc1C ZINC000532001756 974370427 /nfs/dbraw/zinc/37/04/27/974370427.db2.gz ZTIPYEHALBKHBS-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM CSc1ccc(NC(=O)Cc2cccc(C(=O)[O-])c2)cc1Cl ZINC000539677474 974399909 /nfs/dbraw/zinc/39/99/09/974399909.db2.gz AUAXUBQTQXYBTQ-UHFFFAOYSA-N -1 0 335.812 3.941 20 0 EHADRM COc1ccc(Cl)cc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000540775814 974408463 /nfs/dbraw/zinc/40/84/63/974408463.db2.gz RCZWABBHPNKRQE-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)C[C@@H](C)CC(=O)[O-])cn2)cc1 ZINC000566747004 974621054 /nfs/dbraw/zinc/62/10/54/974621054.db2.gz DQQLPDGVIWVYFS-CYBMUJFWSA-N -1 0 328.368 3.622 20 0 EHADRM O=C(COCc1ccccc1)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000404106151 1014205788 /nfs/dbraw/zinc/20/57/88/1014205788.db2.gz GTYPAJJQECILSV-UHFFFAOYSA-N -1 0 326.179 3.854 20 0 EHADRM C[C@@H]1CCN(Cc2csc(CCc3ccccc3)n2)[C@H](C(=O)[O-])C1 ZINC000567117758 974628299 /nfs/dbraw/zinc/62/82/99/974628299.db2.gz SKHBLRWMXSUFID-PBHICJAKSA-N -1 0 344.480 3.613 20 0 EHADRM Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)C[C@@H](C)CC(=O)[O-] ZINC000567366981 974632519 /nfs/dbraw/zinc/63/25/19/974632519.db2.gz PTUJXMNXAAMPOE-NEPJUHHUSA-N -1 0 346.452 3.797 20 0 EHADRM O=C([O-])CN(C(=O)c1cc2cc(C(F)(F)F)ccc2s1)C1CC1 ZINC000567917254 974648386 /nfs/dbraw/zinc/64/83/86/974648386.db2.gz CHNVBXHVOLPXMI-UHFFFAOYSA-N -1 0 343.326 3.609 20 0 EHADRM Cc1csc(CCCC(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)n1 ZINC000567969239 974649323 /nfs/dbraw/zinc/64/93/23/974649323.db2.gz RZYVHHFIQIAKNY-GFCCVEGCSA-N -1 0 346.452 3.676 20 0 EHADRM O=C([O-])[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(Br)c1 ZINC000568055391 974654683 /nfs/dbraw/zinc/65/46/83/974654683.db2.gz YSEIBPVFEKRDEP-GFCCVEGCSA-N -1 0 332.625 3.542 20 0 EHADRM C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000568059206 974654757 /nfs/dbraw/zinc/65/47/57/974654757.db2.gz ZUIXGHDFOGCJDN-APPDUMDISA-N -1 0 349.818 3.638 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)Cc1coc(-c2cccc(Cl)c2)n1 ZINC000568063412 974658123 /nfs/dbraw/zinc/65/81/23/974658123.db2.gz GGOKFYNIIPIXAD-HNNXBMFYSA-N -1 0 336.819 3.926 20 0 EHADRM CC(C)CO[C@H]1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC000568066745 974659192 /nfs/dbraw/zinc/65/91/92/974659192.db2.gz BDGPCFOOZFWWSA-XHDPSFHLSA-N -1 0 346.254 3.866 20 0 EHADRM C[C@](CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)(C(=O)[O-])c1ccccc1 ZINC000568436796 974671153 /nfs/dbraw/zinc/67/11/53/974671153.db2.gz DJFSRBFGQDNDQO-ZGPJWRFFSA-N -1 0 343.467 3.752 20 0 EHADRM CO[C@@H](C)c1nc(CN(CCCC(=O)[O-])Cc2ccccc2)cs1 ZINC000569111792 974684761 /nfs/dbraw/zinc/68/47/61/974684761.db2.gz ZDVNLVPLSZPTMT-AWEZNQCLSA-N -1 0 348.468 3.718 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC(c2ccc(O)cc2)CC1 ZINC000274546463 1014211543 /nfs/dbraw/zinc/21/15/43/1014211543.db2.gz VKBBJXCLYHQGIK-UHFFFAOYSA-N -1 0 349.789 3.910 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@H](c2ccncc2)C2CCCC2)c1 ZINC000909320228 1014212740 /nfs/dbraw/zinc/21/27/40/1014212740.db2.gz GVPAMMLRJZFVRJ-KRWDZBQOSA-N -1 0 342.370 3.831 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCC[C@H](CCCc2ccccc2)C1 ZINC000573623964 974768866 /nfs/dbraw/zinc/76/88/66/974768866.db2.gz GUGQXOYHMOCINZ-AEFFLSMTSA-N -1 0 331.456 3.749 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)NCC1(Sc2ccccc2)CCCC1 ZINC000573981259 974775063 /nfs/dbraw/zinc/77/50/63/974775063.db2.gz LIGILCJGWRDGMD-CQSZACIVSA-N -1 0 335.469 3.709 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])Cc1nc(CCC(C)C)no1 ZINC000574770708 974788443 /nfs/dbraw/zinc/78/84/43/974788443.db2.gz KOUXNVMLTXINMA-INIZCTEOSA-N -1 0 345.443 3.696 20 0 EHADRM Cc1c(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)cnn1C1CCCCC1 ZINC000578729402 974860272 /nfs/dbraw/zinc/86/02/72/974860272.db2.gz CULSAHQCRMCFPE-UHFFFAOYSA-N -1 0 341.411 3.956 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CCCC[C@@H]1c1ccccc1 ZINC000578669160 974860309 /nfs/dbraw/zinc/86/03/09/974860309.db2.gz CNYNQGJVVVXYKL-OAHLLOKOSA-N -1 0 327.380 3.583 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CCCC[C@H]1c1ccccc1 ZINC000578669159 974860420 /nfs/dbraw/zinc/86/04/20/974860420.db2.gz CNYNQGJVVVXYKL-HNNXBMFYSA-N -1 0 327.380 3.583 20 0 EHADRM O=C([O-])c1occc1CN(CCC(F)(F)F)Cc1ccccc1 ZINC000584237327 974952232 /nfs/dbraw/zinc/95/22/32/974952232.db2.gz URYFZSTVMASSDB-UHFFFAOYSA-N -1 0 327.302 3.932 20 0 EHADRM C[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1cccs1)c1ccc(F)cc1 ZINC000615938832 975023910 /nfs/dbraw/zinc/02/39/10/975023910.db2.gz JRFYFZLHGRGDBL-RISCZKNCSA-N -1 0 335.400 3.713 20 0 EHADRM O=C([O-])[C@@H]1CCCCCN1C(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000621569376 975035971 /nfs/dbraw/zinc/03/59/71/975035971.db2.gz ICVOTEGPTHEJER-AWEZNQCLSA-N -1 0 343.345 3.651 20 0 EHADRM CSc1ccc(CCCC(=O)N2CCCCC[C@@H]2C(=O)[O-])cc1 ZINC000621570398 975036035 /nfs/dbraw/zinc/03/60/35/975036035.db2.gz WPQNXCDRKSTHOF-MRXNPFEDSA-N -1 0 335.469 3.587 20 0 EHADRM Cc1ccc(CCCC(=O)N2CCc3c(cccc3C(=O)[O-])C2)s1 ZINC000621579519 975040611 /nfs/dbraw/zinc/04/06/11/975040611.db2.gz NRSYDWUTEQUZQO-UHFFFAOYSA-N -1 0 343.448 3.662 20 0 EHADRM CC[C@H](CC(=O)N1CCc2c(cccc2C(=O)[O-])C1)c1ccccc1 ZINC000621579576 975040844 /nfs/dbraw/zinc/04/08/44/975040844.db2.gz RAXYWQJQFIHSLS-OAHLLOKOSA-N -1 0 337.419 3.853 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000621588449 975046012 /nfs/dbraw/zinc/04/60/12/975046012.db2.gz YGZKMOPDWZWRNG-BZSNNMDCSA-N -1 0 345.439 3.541 20 0 EHADRM CC[C@H](CC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1)c1ccc(C)cc1 ZINC000621610730 975059183 /nfs/dbraw/zinc/05/91/83/975059183.db2.gz OMONGYRFALNSRE-CHWSQXEVSA-N -1 0 346.452 3.911 20 0 EHADRM C[C@@H](NC(=O)c1ccccc1C(C)(C)C)c1ncc(C(=O)[O-])s1 ZINC000621611252 975059910 /nfs/dbraw/zinc/05/99/10/975059910.db2.gz ZITCBPYPLZXKIO-SNVBAGLBSA-N -1 0 332.425 3.630 20 0 EHADRM Cc1cc(C(=O)N(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)oc1C(=O)[O-] ZINC000630106990 975103667 /nfs/dbraw/zinc/10/36/67/975103667.db2.gz OLGUXQLZUAIAMS-YGRLFVJLSA-N -1 0 343.379 3.807 20 0 EHADRM Cc1cc(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)oc1C(=O)[O-] ZINC000630106622 975103883 /nfs/dbraw/zinc/10/38/83/975103883.db2.gz KUEMOFRABVRNIO-UHFFFAOYSA-N -1 0 333.771 3.744 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)cc1C(=O)[O-] ZINC000630131433 975116408 /nfs/dbraw/zinc/11/64/08/975116408.db2.gz HOSOVFNOGOFTMT-HZPDHXFCSA-N -1 0 345.370 3.578 20 0 EHADRM Cc1ccccc1C1(C(=O)NC2CCC(C(=O)[O-])CC2)CCCC1 ZINC000630135483 975119771 /nfs/dbraw/zinc/11/97/71/975119771.db2.gz PBQMEBAUCUCMKM-UHFFFAOYSA-N -1 0 329.440 3.566 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC000630135578 975120463 /nfs/dbraw/zinc/12/04/63/975120463.db2.gz PWKXNFLNXNEXMY-ZWKOTPCHSA-N -1 0 341.382 3.676 20 0 EHADRM Cc1cccc(CO[C@H](C)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000630139682 975123294 /nfs/dbraw/zinc/12/32/94/975123294.db2.gz SDXZCBVVAIFAMO-CQSZACIVSA-N -1 0 327.380 3.545 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)C1 ZINC000630155413 975132823 /nfs/dbraw/zinc/13/28/23/975132823.db2.gz AEDMPPWGXBFEIA-PVAVHDDUSA-N -1 0 347.430 3.669 20 0 EHADRM Cc1cc(C)c(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)s1 ZINC000630157351 975134271 /nfs/dbraw/zinc/13/42/71/975134271.db2.gz DFXDXRMVNBJUQO-UHFFFAOYSA-N -1 0 331.437 3.872 20 0 EHADRM CCCc1ccc(C(=O)Nc2cc(COC)cc(C(=O)[O-])c2)s1 ZINC000630173822 975143418 /nfs/dbraw/zinc/14/34/18/975143418.db2.gz VHZPWDMXELQXJN-UHFFFAOYSA-N -1 0 333.409 3.798 20 0 EHADRM Cc1cc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)oc1C(=O)[O-] ZINC000630181772 975145422 /nfs/dbraw/zinc/14/54/22/975145422.db2.gz NWOQBFNQWYIODP-OAGGEKHMSA-N -1 0 339.391 3.695 20 0 EHADRM CSc1cc(C(=O)NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)co1 ZINC000630205646 975158953 /nfs/dbraw/zinc/15/89/53/975158953.db2.gz CBIAIVPQUAFSTF-CYBMUJFWSA-N -1 0 345.420 3.550 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N(Cc2ccccc2Cl)CC2CC2)C1 ZINC000630229208 975177024 /nfs/dbraw/zinc/17/70/24/975177024.db2.gz UTWWMINNVOQEQA-GJZGRUSLSA-N -1 0 349.858 3.970 20 0 EHADRM Cc1cc(CCCC(=O)NCc2ccc(CC(=O)[O-])cc2)c(C)s1 ZINC000630233412 975180709 /nfs/dbraw/zinc/18/07/09/975180709.db2.gz SLIBGKSWRHNSMH-UHFFFAOYSA-N -1 0 345.464 3.631 20 0 EHADRM CCCC[C@H](C(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1)C(C)C ZINC000630240763 975185671 /nfs/dbraw/zinc/18/56/71/975185671.db2.gz GHSDEWCOIANHKH-ZDUSSCGKSA-N -1 0 335.419 3.871 20 0 EHADRM CC[C@@H](CC(=O)N1CCC(c2ncc(C(=O)[O-])s2)CC1)C(C)C ZINC000630246409 975192706 /nfs/dbraw/zinc/19/27/06/975192706.db2.gz XXURJSSKRXHCRD-LBPRGKRZSA-N -1 0 338.473 3.620 20 0 EHADRM CCc1ccsc1C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC000630258441 975201726 /nfs/dbraw/zinc/20/17/26/975201726.db2.gz OMWCDARBWCZLNH-SECBINFHSA-N -1 0 337.372 3.554 20 0 EHADRM Cc1scc(C(=O)Nc2ccc(O[C@H](C)C(=O)[O-])c(F)c2)c1C ZINC000630260322 975203976 /nfs/dbraw/zinc/20/39/76/975203976.db2.gz JWGDFGOQJJJURU-SECBINFHSA-N -1 0 337.372 3.608 20 0 EHADRM CCSc1ccccc1C(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC000630263848 975207300 /nfs/dbraw/zinc/20/73/00/975207300.db2.gz AVLDJFBISKZCQV-HNNXBMFYSA-N -1 0 335.469 3.810 20 0 EHADRM Cc1ccc(C)c(S([O-])=CC(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000107967165 1014244594 /nfs/dbraw/zinc/24/45/94/1014244594.db2.gz GDCFCRDWWJRNDN-KOSHJBKYSA-N -1 0 341.476 3.605 20 0 EHADRM Cc1cc(Cl)c(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)cc1C ZINC000630280669 975225590 /nfs/dbraw/zinc/22/55/90/975225590.db2.gz AAEPAECFIILXNN-WWGRRREGSA-N -1 0 335.831 3.672 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2[nH]c3ccccc3c2Cl)[C@@H]2CCC[C@@H]21 ZINC000630284017 975229014 /nfs/dbraw/zinc/22/90/14/975229014.db2.gz VTJSMDGMNDVDPF-JTNHKYCSSA-N -1 0 346.814 3.537 20 0 EHADRM CCOC1(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CCCC1 ZINC000630288055 975232101 /nfs/dbraw/zinc/23/21/01/975232101.db2.gz YKQAAWREYWXFSK-UHFFFAOYSA-N -1 0 327.380 3.826 20 0 EHADRM Cc1cc(CCNC(=O)CCc2ccccc2C(=O)[O-])ccc1Cl ZINC000630290315 975232840 /nfs/dbraw/zinc/23/28/40/975232840.db2.gz VSKSUUIMACOEPF-UHFFFAOYSA-N -1 0 345.826 3.638 20 0 EHADRM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)cc1 ZINC000630327243 975253963 /nfs/dbraw/zinc/25/39/63/975253963.db2.gz BVBAJNAACIGOSZ-DOPJRALCSA-N -1 0 339.391 3.589 20 0 EHADRM Cc1cc(CNC(=O)C2(c3cccs3)CCCCC2)oc1C(=O)[O-] ZINC000630328249 975255777 /nfs/dbraw/zinc/25/57/77/975255777.db2.gz AXPOUACTQNTKAO-UHFFFAOYSA-N -1 0 347.436 3.866 20 0 EHADRM COc1c(C)cc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)cc1C ZINC000630328458 975256148 /nfs/dbraw/zinc/25/61/48/975256148.db2.gz BOMJUOSIDHSZNL-DLBZAZTESA-N -1 0 339.391 3.752 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)CCC(=O)c2cccs2)cc1 ZINC000630329241 975257549 /nfs/dbraw/zinc/25/75/49/975257549.db2.gz KQGLRRMLIIXHMK-UONOGXRCSA-N -1 0 343.404 3.538 20 0 EHADRM CC[C@@H](Nc1ncc(C(=O)[O-])s1)c1nc(C(F)(F)F)cs1 ZINC000630460082 975265630 /nfs/dbraw/zinc/26/56/30/975265630.db2.gz ZDGNNJOFKCGLJI-RXMQYKEDSA-N -1 0 337.348 3.880 20 0 EHADRM COc1cc(C)c(CNc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c(C)n1 ZINC000630468102 975266463 /nfs/dbraw/zinc/26/64/63/975266463.db2.gz QBJHDLBBIXVLDZ-JKSUJKDBSA-N -1 0 326.396 3.507 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NCc2nc3c(s2)CCCC3)cc1 ZINC000630467290 975266521 /nfs/dbraw/zinc/26/65/21/975266521.db2.gz JTHNGARLZRRQDQ-UONOGXRCSA-N -1 0 328.437 3.822 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1cccc(Br)c1Cl ZINC000634834787 975278200 /nfs/dbraw/zinc/27/82/00/975278200.db2.gz LGHWMURTGXBMKI-SSDOTTSWSA-N -1 0 334.597 3.542 20 0 EHADRM CC(C)OCc1ccccc1CNC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000634861157 975279542 /nfs/dbraw/zinc/27/95/42/975279542.db2.gz NZQJMMRJWFRSNA-UHFFFAOYSA-N -1 0 347.455 3.653 20 0 EHADRM O=C([O-])c1cnc(NC[C@@H](c2ccco2)N2CCCCC2)c(Cl)c1 ZINC000647447896 975360504 /nfs/dbraw/zinc/36/05/04/975360504.db2.gz FHYROZRCAXYDRA-AWEZNQCLSA-N -1 0 349.818 3.665 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(C(C)C)oc2C)cc1 ZINC000649353229 975406351 /nfs/dbraw/zinc/40/63/51/975406351.db2.gz OBHXXKBWIWRQHE-INIZCTEOSA-N -1 0 345.395 3.666 20 0 EHADRM CC(C)Nc1nnc(S[C@@H](C(=O)[O-])c2ccccc2Cl)s1 ZINC001591672090 975432678 /nfs/dbraw/zinc/43/26/78/975432678.db2.gz LMGQRMIXKFIMCA-SNVBAGLBSA-N -1 0 343.861 3.930 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)[C@H]1C[C@H]1C1CCCC1 ZINC000652066448 975465170 /nfs/dbraw/zinc/46/51/70/975465170.db2.gz KQMIKKGLSQPGQL-ROUUACIJSA-N -1 0 329.440 3.706 20 0 EHADRM CC(C)OC(=O)c1ccc(CSc2nc(C(=O)[O-])cs2)cc1 ZINC001591685502 975481731 /nfs/dbraw/zinc/48/17/31/975481731.db2.gz GYNLUENUBDHUTI-UHFFFAOYSA-N -1 0 337.422 3.699 20 0 EHADRM CCO[C@@H]1CCCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC000652394778 975520233 /nfs/dbraw/zinc/52/02/33/975520233.db2.gz FQKQSEMFDZGYIV-YGRLFVJLSA-N -1 0 332.227 3.620 20 0 EHADRM CCCN(Cc1c(Br)cccc1C(=O)[O-])CC(F)F ZINC000652405506 975522986 /nfs/dbraw/zinc/52/29/86/975522986.db2.gz FXQRGYGMDLQCIV-UHFFFAOYSA-N -1 0 336.176 3.624 20 0 EHADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)CC1CCC(C(C)(C)C)CC1 ZINC001591704916 975566625 /nfs/dbraw/zinc/56/66/25/975566625.db2.gz VEJBZYPHAAINAS-UYSNPLJNSA-N -1 0 341.492 3.566 20 0 EHADRM CCCCOc1ccccc1NC(=O)c1cccc(CC(=O)[O-])c1 ZINC000653637054 975599764 /nfs/dbraw/zinc/59/97/64/975599764.db2.gz DUILUJBNUHICJI-UHFFFAOYSA-N -1 0 327.380 3.745 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000653639243 975604346 /nfs/dbraw/zinc/60/43/46/975604346.db2.gz IZUBLAGSIYGYIG-QGZVFWFLSA-N -1 0 343.810 3.944 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2cccc(CC(=O)[O-])c2)o1 ZINC000653641686 975608929 /nfs/dbraw/zinc/60/89/29/975608929.db2.gz RROAWDBZCHFUIM-DYVFJYSZSA-N -1 0 341.407 3.829 20 0 EHADRM CC(C)c1cccc2c1CCN(C(=O)c1cccc(CC(=O)[O-])c1)C2 ZINC000653644390 975614236 /nfs/dbraw/zinc/61/42/36/975614236.db2.gz KMOZCPMHVSBSNQ-UHFFFAOYSA-N -1 0 337.419 3.636 20 0 EHADRM COc1cc(NC(=O)c2cc(C(=O)[O-])co2)c(C2CC2)cc1Cl ZINC000656248785 975658112 /nfs/dbraw/zinc/65/81/12/975658112.db2.gz IMRBFFHYWABCOS-UHFFFAOYSA-N -1 0 335.743 3.770 20 0 EHADRM CC(C)(CCNC(=O)Nc1cccc2c1ccn2C(F)F)C(=O)[O-] ZINC000656605297 975665733 /nfs/dbraw/zinc/66/57/33/975665733.db2.gz RNKMTAHXEIJNEL-UHFFFAOYSA-N -1 0 339.342 3.659 20 0 EHADRM Cc1sc(NC(=O)NCc2cccc(C(=O)[O-])c2)nc1C(C)C ZINC000656605740 975665789 /nfs/dbraw/zinc/66/57/89/975665789.db2.gz XZVHDGGSGVPCCM-UHFFFAOYSA-N -1 0 333.413 3.595 20 0 EHADRM CC[C@H]1CN(C(=O)c2cc(C(=O)[O-])oc2C)CC[C@@H]1c1ccccc1 ZINC000659140278 975740265 /nfs/dbraw/zinc/74/02/65/975740265.db2.gz MNHMLPMILRQISK-HOCLYGCPSA-N -1 0 341.407 3.942 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C2CC2)cc1)c1ccc(OCC(=O)[O-])cc1 ZINC000659157965 975756465 /nfs/dbraw/zinc/75/64/65/975756465.db2.gz UEBRVPDYMYLPOR-CYBMUJFWSA-N -1 0 339.391 3.518 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000659161932 975761502 /nfs/dbraw/zinc/76/15/02/975761502.db2.gz BIIOWODVCDNKRF-AWEZNQCLSA-N -1 0 345.361 3.753 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCC[C@@]1(C)Cc1ccccc1Cl ZINC000659171760 975770183 /nfs/dbraw/zinc/77/01/83/975770183.db2.gz GPRMURJKFOTSDT-UGSOOPFHSA-N -1 0 337.847 3.765 20 0 EHADRM CC(C)Oc1c(NC(=O)N2CC[C@H](C)[C@H](C)C2)cccc1C(=O)[O-] ZINC001591744772 975773094 /nfs/dbraw/zinc/77/30/94/975773094.db2.gz SVOMFQPUJOKDIB-QWHCGFSZSA-N -1 0 334.416 3.682 20 0 EHADRM CC(C)Oc1c(NC(=O)NCCCCC2CC2)cccc1C(=O)[O-] ZINC001591746243 975780668 /nfs/dbraw/zinc/78/06/68/975780668.db2.gz BZBBUQFLCQMVHG-UHFFFAOYSA-N -1 0 334.416 3.874 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCc2ccc(Cl)cc2)[C@@H]2CCCC[C@H]12 ZINC000659194961 975797187 /nfs/dbraw/zinc/79/71/87/975797187.db2.gz NRTDFISPVNXIDZ-BRWVUGGUSA-N -1 0 349.858 3.765 20 0 EHADRM Cc1cc(Cl)cc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)c1 ZINC000659195818 975800023 /nfs/dbraw/zinc/80/00/23/975800023.db2.gz ZLHMYZRHQPZNGY-OWCLPIDISA-N -1 0 335.831 3.754 20 0 EHADRM Cc1ccc2cc(C(=O)N3CC[C@H](C(=O)[O-])[C@@H]4CCCC[C@H]43)[nH]c2c1 ZINC000659196703 975801662 /nfs/dbraw/zinc/80/16/62/975801662.db2.gz XJPMOIKLXODLTF-RLFYNMQTSA-N -1 0 340.423 3.582 20 0 EHADRM CC(C)Oc1cc(O)ccc1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001591756522 975824326 /nfs/dbraw/zinc/82/43/26/975824326.db2.gz AGFIQQJLWUNMKM-UHFFFAOYSA-N -1 0 348.330 3.661 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(Cl)cc1N ZINC001591772054 975903720 /nfs/dbraw/zinc/90/37/20/975903720.db2.gz XXQVLYRFYIEFNC-UHFFFAOYSA-N -1 0 348.786 3.660 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NCc1cc2cccnc2o1 ZINC001591772597 975905330 /nfs/dbraw/zinc/90/53/30/975905330.db2.gz FECVNTIITSDUCG-UHFFFAOYSA-N -1 0 326.352 3.925 20 0 EHADRM COCc1ccc(NC2CCC(C(=O)[O-])CC2)cc1C(F)(F)F ZINC000665346719 975958916 /nfs/dbraw/zinc/95/89/16/975958916.db2.gz YQBXTHSOAPVZLZ-UHFFFAOYSA-N -1 0 331.334 3.907 20 0 EHADRM C[C@@H](C(=O)N1CCCC[C@H]1C(=O)[O-])c1c(Cl)cccc1Cl ZINC000666361801 975960850 /nfs/dbraw/zinc/96/08/50/975960850.db2.gz WWVMAJXIPSOHJA-SKDRFNHKSA-N -1 0 330.211 3.563 20 0 EHADRM CCC(CC)[C@H](NC(=O)NCCCCC(=O)[O-])c1cccs1 ZINC000666519976 975966057 /nfs/dbraw/zinc/96/60/57/975966057.db2.gz AAUZPMOJEGWRRG-HNNXBMFYSA-N -1 0 326.462 3.780 20 0 EHADRM CC(C)[C@@H](CNC(=O)NCCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000666547978 975970297 /nfs/dbraw/zinc/97/02/97/975970297.db2.gz WYGHIGHHFIDYOE-OAHLLOKOSA-N -1 0 340.851 3.634 20 0 EHADRM Cc1cccc2cc(C(=O)N3CCC4(C[C@H]4C(=O)[O-])CC3)sc21 ZINC000668267414 975977985 /nfs/dbraw/zinc/97/79/85/975977985.db2.gz NDHKFIJWKKJVMO-ZDUSSCGKSA-N -1 0 329.421 3.537 20 0 EHADRM CO[C@@H]1CCC[C@@H](CC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000668272581 975979524 /nfs/dbraw/zinc/97/95/24/975979524.db2.gz HTWQEXARNOXCOG-ZYHUDNBSSA-N -1 0 325.792 3.572 20 0 EHADRM CO[C@](C)(C(=O)Nc1cc(C(=O)[O-])c(C)cc1C)c1ccccc1F ZINC000668283032 975984616 /nfs/dbraw/zinc/98/46/16/975984616.db2.gz HTGPLQFGVSDASY-IBGZPJMESA-N -1 0 345.370 3.641 20 0 EHADRM Cc1cccc2cc(C(=O)N3C[C@@H]4CCC[C@H]4[C@@H]3C(=O)[O-])sc21 ZINC000668287349 975986827 /nfs/dbraw/zinc/98/68/27/975986827.db2.gz ALKNEDFQFGUCAP-GZBFAFLISA-N -1 0 329.421 3.535 20 0 EHADRM CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1ccc(C(=O)[O-])s1 ZINC000668298971 975989945 /nfs/dbraw/zinc/98/99/45/975989945.db2.gz PEOMYMNADURBEE-CYBMUJFWSA-N -1 0 333.409 3.678 20 0 EHADRM CC1(C)C[C@]1(NC(=O)CCc1ccccc1C(=O)[O-])c1ccccc1 ZINC000668296699 975990078 /nfs/dbraw/zinc/99/00/78/975990078.db2.gz VVLRABCHBOSPPA-NRFANRHFSA-N -1 0 337.419 3.759 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1C[C@H](c2ccc(C)cc2)C[C@H]1C ZINC000668300544 975991673 /nfs/dbraw/zinc/99/16/73/975991673.db2.gz PZRNLJDWXDWQMJ-IUODEOHRSA-N -1 0 327.380 3.613 20 0 EHADRM CN(C(=O)C1(C(=O)[O-])CC2(CCC2)C1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000668324009 975999135 /nfs/dbraw/zinc/99/91/35/975999135.db2.gz KNTCNNGMFOVAIR-TXEJJXNPSA-N -1 0 347.377 3.601 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N(C)Cc1ccsc1)C(=O)[O-] ZINC000675956206 976019506 /nfs/dbraw/zinc/01/95/06/976019506.db2.gz FJBSELSAFDFACN-NSHDSACASA-N -1 0 335.450 3.586 20 0 EHADRM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000676003687 976027130 /nfs/dbraw/zinc/02/71/30/976027130.db2.gz TYFQKGHHIIGRBE-QMTHXVAHSA-N -1 0 325.792 3.572 20 0 EHADRM O=C([O-])C1(CNC(=O)c2cccc(Oc3ccccc3)c2)CCCC1 ZINC000676024164 976027656 /nfs/dbraw/zinc/02/76/56/976027656.db2.gz ZRLLGXXBIZKNJD-UHFFFAOYSA-N -1 0 339.391 3.854 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001591804577 976028864 /nfs/dbraw/zinc/02/88/64/976028864.db2.gz KFSWDYGOYGZUAS-UHFFFAOYSA-N -1 0 342.395 3.836 20 0 EHADRM CC(C)Oc1ccccc1COC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001591804666 976030135 /nfs/dbraw/zinc/03/01/35/976030135.db2.gz OPNKPTSPJDGEFV-UHFFFAOYSA-N -1 0 346.423 3.942 20 0 EHADRM Cc1c(NC(=O)c2cc(Br)cs2)cccc1C(=O)[O-] ZINC000678974646 976033257 /nfs/dbraw/zinc/03/32/57/976033257.db2.gz ACOFTXTYGHYNJO-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cc(F)cc(C(F)(F)F)c2)CCCCC1 ZINC000678979176 976034406 /nfs/dbraw/zinc/03/44/06/976034406.db2.gz MAJYXMKEUJWHMZ-UHFFFAOYSA-N -1 0 347.308 3.752 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000679103709 976046196 /nfs/dbraw/zinc/04/61/96/976046196.db2.gz YMPDUTGMMUOLON-ZBFHGGJFSA-N -1 0 349.496 3.907 20 0 EHADRM CC(C)Sc1ccccc1C(=O)N(C)c1ncc(C(=O)[O-])s1 ZINC001591829071 976090079 /nfs/dbraw/zinc/09/00/79/976090079.db2.gz CHERSVHSZQHFMG-UHFFFAOYSA-N -1 0 336.438 3.618 20 0 EHADRM C[C@@](CNC(=O)CC1CCC(C)(C)CC1)(C(=O)[O-])c1ccccc1 ZINC000685024455 976095198 /nfs/dbraw/zinc/09/51/98/976095198.db2.gz MSPDVDQPFNELDO-FQEVSTJZSA-N -1 0 331.456 3.752 20 0 EHADRM CC(C)c1[nH]c(CN2CC(F)(c3ccccc3F)C2)cc1C(=O)[O-] ZINC001591912431 976345720 /nfs/dbraw/zinc/34/57/20/976345720.db2.gz MVMKFDSYNCQKCH-UHFFFAOYSA-N -1 0 334.366 3.656 20 0 EHADRM CC(C)c1cc(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)no1 ZINC001591930787 976426687 /nfs/dbraw/zinc/42/66/87/976426687.db2.gz ICXDRXWLGJRESF-UHFFFAOYSA-N -1 0 330.365 3.963 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)cc1 ZINC001591948773 976502064 /nfs/dbraw/zinc/50/20/64/976502064.db2.gz KDMZPQZJBWUROX-HHHLDFCISA-N -1 0 341.451 3.829 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)NC[C@@H](CC2CC2)C(=O)[O-])cc1 ZINC001591949075 976504452 /nfs/dbraw/zinc/50/44/52/976504452.db2.gz QPXXYFXYCYIYSS-DDKKJVIOSA-N -1 0 329.440 3.830 20 0 EHADRM CC(C)c1ccc(C[S@@](=O)CCc2ccccc2C(=O)[O-])cc1 ZINC001591957237 976527788 /nfs/dbraw/zinc/52/77/88/976527788.db2.gz FKDHHPILYOELJY-QHCPKHFHSA-N -1 0 330.449 4.000 20 0 EHADRM CC(C)c1ccc(N(C)CC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001591957621 976532282 /nfs/dbraw/zinc/53/22/82/976532282.db2.gz USOPGXDKOSSEEW-UHFFFAOYSA-N -1 0 326.396 3.583 20 0 EHADRM CC(C)c1ccc(NC(=O)c2nccc(Cl)c2F)c(C(=O)[O-])c1 ZINC001591968005 976564085 /nfs/dbraw/zinc/56/40/85/976564085.db2.gz HQMJIFMICAOXQG-UHFFFAOYSA-N -1 0 336.750 3.948 20 0 EHADRM CC(C)c1ccc(OCCC(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)cc1 ZINC001591972222 976570059 /nfs/dbraw/zinc/57/00/59/976570059.db2.gz GEJKFPUHIBDEHI-SGNKCFNYSA-N -1 0 347.455 3.729 20 0 EHADRM CC(C)c1ccc2c(c1)CCN(C(=O)c1ccc(/C=C/C(=O)[O-])o1)C2 ZINC001591974327 976587427 /nfs/dbraw/zinc/58/74/27/976587427.db2.gz SQMGOAVIRLBZKF-SOFGYWHQSA-N -1 0 339.391 3.699 20 0 EHADRM CC(C)c1ccc2occ(C(=O)NCc3ncc(C(=O)[O-])s3)c2c1 ZINC001591980082 976592964 /nfs/dbraw/zinc/59/29/64/976592964.db2.gz BICMLYJNGWZXLM-UHFFFAOYSA-N -1 0 344.392 3.641 20 0 EHADRM CC(C)c1cccc(C(=O)N2CCCCc3cc(C(=O)[O-])ccc32)n1 ZINC001591982743 976600301 /nfs/dbraw/zinc/60/03/01/976600301.db2.gz FBIWPCKIJOWTJD-UHFFFAOYSA-N -1 0 338.407 3.886 20 0 EHADRM CC(C)c1cccc(OCC(=O)O[C@H](C(=O)[O-])c2ccsc2)c1 ZINC001591994500 976632715 /nfs/dbraw/zinc/63/27/15/976632715.db2.gz NXDFVSAOULRCHA-INIZCTEOSA-N -1 0 334.393 3.619 20 0 EHADRM CC(C)c1cnc(COC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)s1 ZINC001592002540 976650558 /nfs/dbraw/zinc/65/05/58/976650558.db2.gz HNGDBVDBCBVQHN-FZKQIMNGSA-N -1 0 345.420 3.568 20 0 EHADRM CC(C)c1nc(NC(=O)C2(c3ccccc3F)CC2)sc1C(=O)[O-] ZINC001592021613 976716367 /nfs/dbraw/zinc/71/63/67/976716367.db2.gz GINNZZXOQGHKSQ-UHFFFAOYSA-N -1 0 348.399 3.774 20 0 EHADRM CC(C)c1nnc(CN[C@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)s1 ZINC001592060588 976804878 /nfs/dbraw/zinc/80/48/78/976804878.db2.gz RLRPPDUMSLXCSA-KZULUSFZSA-N -1 0 345.468 3.629 20 0 EHADRM CC(C)c1nnc(CSCCOc2ccccc2C(=O)[O-])s1 ZINC001592061462 976818256 /nfs/dbraw/zinc/81/82/56/976818256.db2.gz TUTIEKHAESKRGE-UHFFFAOYSA-N -1 0 338.454 3.672 20 0 EHADRM CC(C)c1noc(COc2cccc3c(CC(=O)[O-])cccc23)n1 ZINC001592095175 976854611 /nfs/dbraw/zinc/85/46/11/976854611.db2.gz GHSZLIDMHZPQDW-UHFFFAOYSA-N -1 0 326.352 3.552 20 0 EHADRM CC(C)c1ocnc1C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001592102434 976871497 /nfs/dbraw/zinc/87/14/97/976871497.db2.gz LTCZBJDMBLAWQN-UHFFFAOYSA-N -1 0 334.397 3.617 20 0 EHADRM CC(C)n1ncnc1CSCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001592171931 977077176 /nfs/dbraw/zinc/07/71/76/977077176.db2.gz VSYNUIRVBKRTGW-UHFFFAOYSA-N -1 0 325.821 3.644 20 0 EHADRM C[C@@H](CC(=O)N[C@H](C(=O)[O-])c1cccs1)c1c[nH]c2ccccc21 ZINC001592240012 977451141 /nfs/dbraw/zinc/45/11/41/977451141.db2.gz JVKHGJLJWFQPOO-GTNSWQLSSA-N -1 0 342.420 3.665 20 0 EHADRM O=C([O-])c1cc(NC(=O)C[C@@H]2C[C@H]2C2CC2)ccc1Br ZINC000711855705 977575647 /nfs/dbraw/zinc/57/56/47/977575647.db2.gz CGBRJVDTWJWHAO-ONGXEEELSA-N -1 0 338.201 3.522 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCSc2ccc(C(F)(F)F)cc21 ZINC001592375346 977907900 /nfs/dbraw/zinc/90/79/00/977907900.db2.gz OFZBQUALURWCQR-VIFPVBQESA-N -1 0 347.358 3.645 20 0 EHADRM CSc1ccc([C@@H](C)NC(=O)N2CCCCC[C@@H]2C(=O)[O-])cc1 ZINC000654815708 1014441494 /nfs/dbraw/zinc/44/14/94/1014441494.db2.gz GURPYHAFAJIZGY-IUODEOHRSA-N -1 0 336.457 3.508 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)OCc1cc(F)c(C(F)(F)F)c(F)c1 ZINC001592403280 977973023 /nfs/dbraw/zinc/97/30/23/977973023.db2.gz VPQMYJHHJPTNKH-SSDOTTSWSA-N -1 0 340.244 3.528 20 0 EHADRM C[C@@H](CC(=O)[O-])c1nc(-c2ccc(Oc3cccnc3)cc2)no1 ZINC001592423805 978041946 /nfs/dbraw/zinc/04/19/46/978041946.db2.gz HKWFSDFDKKUMKK-NSHDSACASA-N -1 0 325.324 3.502 20 0 EHADRM C[C@H](CC(F)(F)F)C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC001592453097 978151306 /nfs/dbraw/zinc/15/13/06/978151306.db2.gz FNRPSHMQZQXLQO-ZCFIWIBFSA-N -1 0 338.351 3.666 20 0 EHADRM C[C@H](CCC(=O)NC[C@@H](C(=O)[O-])C1CCCCC1)c1ccccc1 ZINC001592471774 978234104 /nfs/dbraw/zinc/23/41/04/978234104.db2.gz VNDLIHJXENMTEX-CRAIPNDOSA-N -1 0 331.456 3.968 20 0 EHADRM C[C@@H](CCC(C)(C)C)C(=O)N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001592477659 978245689 /nfs/dbraw/zinc/24/56/89/978245689.db2.gz MJTJKOPDYRLVDR-SDDRHHMPSA-N -1 0 337.382 3.560 20 0 EHADRM CC(C)[C@H](OC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000736389492 978328696 /nfs/dbraw/zinc/32/86/96/978328696.db2.gz IWPAZPCTVVVUPF-LOWVWBTDSA-N -1 0 331.195 3.749 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2cccc3c(C)ccnc32)c1C ZINC000547631301 1014482276 /nfs/dbraw/zinc/48/22/76/1014482276.db2.gz DTRUQDSWIZUPOH-UHFFFAOYSA-N -1 0 326.421 3.961 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC001592541083 978427899 /nfs/dbraw/zinc/42/78/99/978427899.db2.gz UFXOVMIHQCBJPZ-DYVFJYSZSA-N -1 0 335.419 3.544 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001592545895 978430540 /nfs/dbraw/zinc/43/05/40/978430540.db2.gz FUCGNAGBYFMORM-CYBMUJFWSA-N -1 0 341.382 3.682 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC001592546306 978432656 /nfs/dbraw/zinc/43/26/56/978432656.db2.gz MLHBJSWVXOCYON-LBPRGKRZSA-N -1 0 348.345 3.766 20 0 EHADRM C[C@H](CN(C(=O)CSc1ccc(C(C)(C)C)cc1)C1CC1)C(=O)[O-] ZINC001592556498 978444631 /nfs/dbraw/zinc/44/46/31/978444631.db2.gz XEIKERVBRUREIM-CYBMUJFWSA-N -1 0 349.496 3.788 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)CCC[Si](C)(C)C)C(=O)[O-] ZINC001592602584 978541316 /nfs/dbraw/zinc/54/13/16/978541316.db2.gz VZGZXAHNDGWODT-OAHLLOKOSA-N -1 0 335.520 3.854 20 0 EHADRM Cc1ccc(NC(=O)C(C)C)cc1N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738615162 978574811 /nfs/dbraw/zinc/57/48/11/978574811.db2.gz JHWIJCLUJJMXSI-KRWDZBQOSA-N -1 0 344.386 3.966 20 0 EHADRM Cc1ccc(NC(=O)CNc2ccc(F)c(NC(=O)[O-])c2)cc1C ZINC000738626482 978576397 /nfs/dbraw/zinc/57/63/97/978576397.db2.gz RTPPQAYJFZSTSK-UHFFFAOYSA-N -1 0 331.347 3.583 20 0 EHADRM O=C([O-])NCCCC(=O)N(Cc1ccccc1F)c1ccccc1F ZINC000739953320 978659837 /nfs/dbraw/zinc/65/98/37/978659837.db2.gz LFYGCICJUQZMHP-UHFFFAOYSA-N -1 0 348.349 3.546 20 0 EHADRM CCc1nc2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3)cc2nc1CC ZINC000766739620 978725170 /nfs/dbraw/zinc/72/51/70/978725170.db2.gz XQLRWDBBGHZSFV-UHFFFAOYSA-N -1 0 349.390 3.705 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000766845523 978727216 /nfs/dbraw/zinc/72/72/16/978727216.db2.gz REXYRRBOZQCDCQ-UHFFFAOYSA-N -1 0 344.436 3.650 20 0 EHADRM Cc1cc(/C=C\C(=O)N(C)[C@H](C)C(=O)[O-])c(C)n1C1CCCCC1 ZINC000767018072 978731662 /nfs/dbraw/zinc/73/16/62/978731662.db2.gz LPCDVQHMZXEWLM-JQPIKURYSA-N -1 0 332.444 3.555 20 0 EHADRM O=C([O-])c1cccc(/C=C2/C(=O)Nc3c2cccc3Br)c1 ZINC000774143355 978747034 /nfs/dbraw/zinc/74/70/34/978747034.db2.gz WFVNCVYOYMXZQX-XYOKQWHBSA-N -1 0 344.164 3.640 20 0 EHADRM COc1ccc(NC(=O)CCCCC(=O)[O-])cc1OC1CCCC1 ZINC000808506309 978852133 /nfs/dbraw/zinc/85/21/33/978852133.db2.gz HCXRTKVWBYXAJK-UHFFFAOYSA-N -1 0 335.400 3.600 20 0 EHADRM CC[C@H](NC(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccc(OC)cc1 ZINC000811814516 978857781 /nfs/dbraw/zinc/85/77/81/978857781.db2.gz YCIBDOLSOQCDPN-INIZCTEOSA-N -1 0 347.798 3.928 20 0 EHADRM CC(C)n1ccnc1SCCOc1ccc(C(=O)[O-])cc1Cl ZINC000827193313 978954195 /nfs/dbraw/zinc/95/41/95/978954195.db2.gz WQIFJXVEJDMCIP-UHFFFAOYSA-N -1 0 340.832 3.987 20 0 EHADRM C[C@H](c1ccccc1)[C@@](C)(O)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000827942198 978967271 /nfs/dbraw/zinc/96/72/71/978967271.db2.gz RDUNRSBEEJOAED-ADLMAVQZSA-N -1 0 347.798 3.531 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc2c(cccc2Cl)s1 ZINC000828633681 978986312 /nfs/dbraw/zinc/98/63/12/978986312.db2.gz BQRVOMUUTWQSRA-OAHLLOKOSA-N -1 0 325.817 3.928 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)NC(CC)(CC)C(=O)[O-] ZINC000829014779 978991512 /nfs/dbraw/zinc/99/15/12/978991512.db2.gz PWARXEOUWCMPQP-HNNXBMFYSA-N -1 0 335.444 3.727 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)[C@H]2SCCc3sccc32)cc1 ZINC000830507302 979019377 /nfs/dbraw/zinc/01/93/77/979019377.db2.gz ICPPPORMGALQAY-AWEZNQCLSA-N -1 0 348.449 3.831 20 0 EHADRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)C[C@H](C)C1CC1 ZINC000832848179 979050244 /nfs/dbraw/zinc/05/02/44/979050244.db2.gz SFLXQGSMNVSRDW-QMMMGPOBSA-N -1 0 340.217 3.830 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OC(=O)C[C@@H](C)C(=O)c1cccc(F)c1 ZINC000832918289 979056023 /nfs/dbraw/zinc/05/60/23/979056023.db2.gz DKWBXPAQFBOKDV-GFCCVEGCSA-N -1 0 344.338 3.647 20 0 EHADRM CC[C@H](C)c1nnc(N2CC[C@H](C(=O)[O-])C2)n1C1CC(C(C)(C)C)C1 ZINC001595019174 979094211 /nfs/dbraw/zinc/09/42/11/979094211.db2.gz XNVXSMHGLHLGIR-HESLUPGFSA-N -1 0 348.491 3.700 20 0 EHADRM CC[C@@H](C)n1nc(NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1C ZINC001595024618 979129845 /nfs/dbraw/zinc/12/98/45/979129845.db2.gz YHKDHYMRRHYKNQ-SECBINFHSA-N -1 0 334.351 3.644 20 0 EHADRM CC[C@@H](C)n1ncc(NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1C ZINC001595025699 979131196 /nfs/dbraw/zinc/13/11/96/979131196.db2.gz BCPPEDJPNHRKNY-SECBINFHSA-N -1 0 334.351 3.644 20 0 EHADRM CC[C@@H](CC(=O)NC[C@H](Cc1cccc(C)c1)C(=O)[O-])C(C)(C)C ZINC001595033245 979174111 /nfs/dbraw/zinc/17/41/11/979174111.db2.gz GJDUHXABOOGAKG-IRXDYDNUSA-N -1 0 333.472 3.817 20 0 EHADRM CC[C@@H](CC(=O)NCc1ccccc1CC(=O)[O-])c1ccccc1 ZINC001595036365 979193679 /nfs/dbraw/zinc/19/36/79/979193679.db2.gz BRZMBOOBWFUSLP-HNNXBMFYSA-N -1 0 325.408 3.514 20 0 EHADRM C[C@@H](OC(=O)Cc1cccc(C(=O)[O-])c1)c1nc2ccccc2s1 ZINC000833531312 979199509 /nfs/dbraw/zinc/19/95/09/979199509.db2.gz KWEOBHKEKXJOPD-LLVKDONJSA-N -1 0 341.388 3.841 20 0 EHADRM C[C@](CNc1cc(C2CC2)nc(C2CC2)n1)(C(=O)[O-])c1ccccc1 ZINC001592728882 979239080 /nfs/dbraw/zinc/23/90/80/979239080.db2.gz HGDUTGASNHQZQD-HXUWFJFHSA-N -1 0 337.423 3.686 20 0 EHADRM CC(C)(C)/C=C/C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000836754700 979261566 /nfs/dbraw/zinc/26/15/66/979261566.db2.gz QNXHGXWRJSJRSP-MMQHEFTJSA-N -1 0 329.318 3.707 20 0 EHADRM CCC(CC)(CC(=O)[O-])C(=O)O[C@@H](C)c1noc(-c2ccccc2)n1 ZINC001595047898 979262122 /nfs/dbraw/zinc/26/21/22/979262122.db2.gz OKOCWGIFZCALTB-LBPRGKRZSA-N -1 0 346.383 3.622 20 0 EHADRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)C=C2CCC(C)CC2)c1 ZINC000836758177 979269193 /nfs/dbraw/zinc/26/91/93/979269193.db2.gz HFMDWPCLOGJPBX-LGTGAQBVSA-N -1 0 345.439 3.638 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cc(Cl)c(F)cc1Cl ZINC001595053333 979286357 /nfs/dbraw/zinc/28/63/57/979286357.db2.gz ICOHCEURGCFMLH-UHFFFAOYSA-N -1 0 336.190 3.896 20 0 EHADRM O=C([O-])c1ccc(CNc2ccc(O[C@H]3CCCC[C@@H]3O)cc2)cc1 ZINC000840994746 979293634 /nfs/dbraw/zinc/29/36/34/979293634.db2.gz CCMJFMQFAMDWSY-OALUTQOASA-N -1 0 341.407 3.679 20 0 EHADRM CCC(CC)(CNC(=O)[C@@H](C)Oc1cccc(C(C)(C)C)c1)C(=O)[O-] ZINC001595064909 979329353 /nfs/dbraw/zinc/32/93/53/979329353.db2.gz VMDUDALRPZYXBC-CQSZACIVSA-N -1 0 349.471 3.759 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cscc1Br)C(=O)[O-] ZINC001595071727 979343474 /nfs/dbraw/zinc/34/34/74/979343474.db2.gz MDGYQXJPXGEGJC-UHFFFAOYSA-N -1 0 349.250 3.523 20 0 EHADRM C[C@@](COC(=O)C[C@]1(C)CC1(Cl)Cl)(C(=O)[O-])c1ccccc1 ZINC001592764935 979368049 /nfs/dbraw/zinc/36/80/49/979368049.db2.gz MQMYJTYRSAAQOO-CABCVRRESA-N -1 0 345.222 3.546 20 0 EHADRM C[C@](COC(=O)CSc1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC001592765157 979368585 /nfs/dbraw/zinc/36/85/85/979368585.db2.gz OIUUEZYPVWTDKO-GOSISDBHSA-N -1 0 348.395 3.504 20 0 EHADRM C[C@@H](NC(=O)/C=C/C1CCCCCC1)c1ccc(OCC(=O)[O-])cc1 ZINC000846120197 979407582 /nfs/dbraw/zinc/40/75/82/979407582.db2.gz MMXDTFGAWOHWSD-XETPBLJFSA-N -1 0 345.439 3.854 20 0 EHADRM CCC(CC)[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC001595106217 979429740 /nfs/dbraw/zinc/42/97/40/979429740.db2.gz YTDLGXYEOMVCNI-MEBBXXQBSA-N -1 0 341.835 3.663 20 0 EHADRM CCC(CC)[C@@H](CCNC(=O)c1cc(C(=O)[O-])ccc1Cl)OC ZINC001595106854 979437312 /nfs/dbraw/zinc/43/73/12/979437312.db2.gz YCKDXSOZDNLRJF-OAHLLOKOSA-N -1 0 341.835 3.609 20 0 EHADRM CCC(CC)[C@@H](NC(=O)c1csc(C(=O)[O-])n1)c1ccccc1 ZINC001595109586 979443610 /nfs/dbraw/zinc/44/36/10/979443610.db2.gz JCMHPGQRLAZTLJ-CQSZACIVSA-N -1 0 332.425 3.749 20 0 EHADRM CCC(CC)[C@@H](NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)c1ccccc1 ZINC001595109782 979447341 /nfs/dbraw/zinc/44/73/41/979447341.db2.gz MIXCIBMJAZXULN-YQVWRLOYSA-N -1 0 347.455 3.693 20 0 EHADRM CCC(CC)[C@H]1C[C@@H](NC(=O)Nc2ccc(C(=O)[O-])cc2C)CCO1 ZINC001595110216 979453481 /nfs/dbraw/zinc/45/34/81/979453481.db2.gz UZSMESPLJSVVNH-DOTOQJQBSA-N -1 0 348.443 3.799 20 0 EHADRM CCC(CC)n1ccc(COc2ccccc2[C@H](OC)C(=O)[O-])n1 ZINC001595124325 979503139 /nfs/dbraw/zinc/50/31/39/979503139.db2.gz BGVBCWWTJKMJAE-KRWDZBQOSA-N -1 0 332.400 3.595 20 0 EHADRM CC(C)[C@H](c1ccccc1)N(C)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851594173 979505460 /nfs/dbraw/zinc/50/54/60/979505460.db2.gz GXKHDDFMKYOFCM-NCUBBLFSSA-N -1 0 327.380 3.847 20 0 EHADRM CCCC[C@@](C)(F)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000851598031 979515134 /nfs/dbraw/zinc/51/51/34/979515134.db2.gz IPXQMTMMRGREAA-LJQANCHMSA-N -1 0 346.402 3.669 20 0 EHADRM CC(C)c1ccccc1C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000851604353 979528225 /nfs/dbraw/zinc/52/82/25/979528225.db2.gz UVVMELSBTXRSAR-HXUWFJFHSA-N -1 0 325.408 3.582 20 0 EHADRM CC(C)(c1ccccc1)C1(NC(=O)c2ccc(/C=C\C(=O)[O-])o2)CC1 ZINC000851608207 979534788 /nfs/dbraw/zinc/53/47/88/979534788.db2.gz CQYSBPJSLVEQPD-LUAWRHEFSA-N -1 0 339.391 3.618 20 0 EHADRM CCCCC[C@@H](C)CC(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC000851616139 979538865 /nfs/dbraw/zinc/53/88/65/979538865.db2.gz MKHMUSYTEJPTSK-UPJWGTAASA-N -1 0 337.382 3.705 20 0 EHADRM CC(C)c1ccc(C[C@H](C)NC(=O)Nc2cccc(C(=O)[O-])n2)cc1 ZINC001592833903 979573783 /nfs/dbraw/zinc/57/37/83/979573783.db2.gz LAWPLFFEOUFVDM-ZDUSSCGKSA-N -1 0 341.411 3.656 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001592838600 979590348 /nfs/dbraw/zinc/59/03/48/979590348.db2.gz GAIVDQRQSGSURT-CUZBXDDWSA-N -1 0 347.798 3.734 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCC[C@H]1C(=O)[O-] ZINC001592838996 979594290 /nfs/dbraw/zinc/59/42/90/979594290.db2.gz JQCSYQSKQQUEIZ-GAJTVXKRSA-N -1 0 344.238 3.542 20 0 EHADRM C[C@H](Cc1ccc(Cl)s1)OC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001592840251 979604253 /nfs/dbraw/zinc/60/42/53/979604253.db2.gz VEIFOZCXTLMMCN-MXWKQRLJSA-N -1 0 330.833 3.767 20 0 EHADRM CC(C)CN(Cc1ccccc1)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000856928528 979613040 /nfs/dbraw/zinc/61/30/40/979613040.db2.gz VVSAOWFDHQZDOH-PKNBQFBNSA-N -1 0 327.380 3.676 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC001592855042 979659289 /nfs/dbraw/zinc/65/92/89/979659289.db2.gz ZMQOADMPBKMKTG-CXAGYDPISA-N -1 0 335.419 3.544 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N(C)[C@@H](C)c2ccccn2)cc1)C(=O)[O-] ZINC001592858724 979675808 /nfs/dbraw/zinc/67/58/08/979675808.db2.gz KJLCYLGLMNCCBM-KBPBESRZSA-N -1 0 341.411 3.570 20 0 EHADRM Cc1cc2c(CC(=O)N3CCC4(C[C@@H]4C(=O)[O-])CC3)csc2s1 ZINC000864100041 979682658 /nfs/dbraw/zinc/68/26/58/979682658.db2.gz PCCVQGIWBKDHKL-CYBMUJFWSA-N -1 0 349.477 3.527 20 0 EHADRM C[C@@H]1CN(C(=O)/C=C/c2cc(C(=O)[O-])co2)CC[C@@H]1c1ccccc1 ZINC000864112571 979704182 /nfs/dbraw/zinc/70/41/82/979704182.db2.gz DRCFURGJIXIVSW-QBJLPMDFSA-N -1 0 339.391 3.643 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)NC[C@@]23C[C@@H]2CCCC3)cc1)C(=O)[O-] ZINC001592865396 979705138 /nfs/dbraw/zinc/70/51/38/979705138.db2.gz AUXRMLHXRFFBPI-FRIZHTMISA-N -1 0 330.428 3.652 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N[C@@H](C)c2ccsc2)cc1)C(=O)[O-] ZINC001592867376 979714885 /nfs/dbraw/zinc/71/48/85/979714885.db2.gz PEJBPYLLWTYLHH-RYUDHWBXSA-N -1 0 332.425 3.894 20 0 EHADRM O=C([O-])CCCCCCNC(=O)/C=C\c1ccccc1C(F)(F)F ZINC000864120467 979716309 /nfs/dbraw/zinc/71/63/09/979716309.db2.gz JTFKHWTZTPJALU-KHPPLWFESA-N -1 0 343.345 3.870 20 0 EHADRM Cc1cc2c(CC(=O)NC3CCC(C(=O)[O-])CC3)csc2s1 ZINC000864121868 979718795 /nfs/dbraw/zinc/71/87/95/979718795.db2.gz XEIXWZPPNNFXOA-UHFFFAOYSA-N -1 0 337.466 3.573 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N2CC[C@@H]3CCCC[C@@H]32)cc1)C(=O)[O-] ZINC001592868394 979719862 /nfs/dbraw/zinc/71/98/62/979719862.db2.gz YIAXNLLCUMQMRX-QRTARXTBSA-N -1 0 330.428 3.746 20 0 EHADRM O=C([O-])c1coc(/C=C/C(=O)N2CCC[C@@H]2CCc2ccccc2)c1 ZINC000864125559 979725232 /nfs/dbraw/zinc/72/52/32/979725232.db2.gz XCVBWPZILSNVMK-SXSDINLZSA-N -1 0 339.391 3.615 20 0 EHADRM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000864128968 979729388 /nfs/dbraw/zinc/72/93/88/979729388.db2.gz BCLSDNGCNDFZAW-PFBXESSKSA-N -1 0 343.354 3.535 20 0 EHADRM Cc1ccc(F)c2[nH]c(C(=O)N3CCC[C@@H](C(C)(C)C(=O)[O-])C3)cc21 ZINC000864133102 979735040 /nfs/dbraw/zinc/73/50/40/979735040.db2.gz IDFBXACONVTBOH-GFCCVEGCSA-N -1 0 346.402 3.578 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000864133079 979735310 /nfs/dbraw/zinc/73/53/10/979735310.db2.gz YTPAKVXJXRTGSL-RXVVDRJESA-N -1 0 345.483 3.995 20 0 EHADRM CC[C@](CNc1cc(Cl)nc(C2CC2)n1)(C(=O)[O-])c1ccccc1 ZINC001595172772 979746096 /nfs/dbraw/zinc/74/60/96/979746096.db2.gz ORELTAVAMXCZAO-GOSISDBHSA-N -1 0 345.830 3.852 20 0 EHADRM CCN(C(=O)c1ccc(C)c(C(=O)[O-])c1)[C@H](C)Cc1ccsc1 ZINC000864142599 979747742 /nfs/dbraw/zinc/74/77/42/979747742.db2.gz LEXCCXLTSILQFQ-CYBMUJFWSA-N -1 0 331.437 3.848 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@H](c3c(F)cccc3F)C2)cc1C(=O)[O-] ZINC000864143355 979748938 /nfs/dbraw/zinc/74/89/38/979748938.db2.gz IWHHSCBNVOAEGD-ZDUSSCGKSA-N -1 0 345.345 3.601 20 0 EHADRM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000864148024 979753804 /nfs/dbraw/zinc/75/38/04/979753804.db2.gz TWUUUILXXYGQET-VXKDUJCOSA-N -1 0 337.419 3.764 20 0 EHADRM COc1cc(C)cc(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c1C ZINC000864149693 979758894 /nfs/dbraw/zinc/75/88/94/979758894.db2.gz VVNFUJLMOVHCMY-GFCCVEGCSA-N -1 0 327.380 3.752 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)N(C)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001592885519 979769773 /nfs/dbraw/zinc/76/97/73/979769773.db2.gz PECSYOJLRSOTFP-NSHDSACASA-N -1 0 349.789 3.881 20 0 EHADRM CC(C)(C)[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC000864169376 979796239 /nfs/dbraw/zinc/79/62/39/979796239.db2.gz HSJJKJNMDCSYDC-GHMZBOCLSA-N -1 0 341.354 3.649 20 0 EHADRM C[C@@H](Cc1ccco1)NC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001592899393 979814602 /nfs/dbraw/zinc/81/46/02/979814602.db2.gz HKJQTJPOGVQGLT-JTQLQIEISA-N -1 0 344.392 3.945 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3c(cccc3F)s2)[C@H]2CCC[C@H]21 ZINC000864175933 979816983 /nfs/dbraw/zinc/81/69/83/979816983.db2.gz ODWAPHAZZWIKCZ-WDMOLILDSA-N -1 0 347.411 3.756 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000864178003 979823681 /nfs/dbraw/zinc/82/36/81/979823681.db2.gz VMKIUYLXVGGNBJ-LMZNOSGKSA-N -1 0 339.391 3.784 20 0 EHADRM Cc1cc(C(=O)N(CC2CC2)c2ccc(C)c(F)c2)oc1C(=O)[O-] ZINC000864178554 979824983 /nfs/dbraw/zinc/82/49/83/979824983.db2.gz DIUDBOSBBULFDZ-UHFFFAOYSA-N -1 0 331.343 3.791 20 0 EHADRM C[C@H](Cc1ccsc1)N(C)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001592905962 979839688 /nfs/dbraw/zinc/83/96/88/979839688.db2.gz JNRGLWNYEQHUIK-SNVBAGLBSA-N -1 0 336.388 3.680 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)c1ccc(SC(F)(F)F)cc1)C1CC1 ZINC000864197737 979866632 /nfs/dbraw/zinc/86/66/32/979866632.db2.gz KNBLJYJMTNCWRP-CQSZACIVSA-N -1 0 347.358 3.672 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)N[C@@](C)(CC(=O)[O-])C1CC1 ZINC000864199180 979872116 /nfs/dbraw/zinc/87/21/16/979872116.db2.gz DYQJIZDWKSTDGZ-JXFKEZNVSA-N -1 0 347.455 3.727 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)C1CCC(c2ccccc2)CC1)C1CC1 ZINC000864199836 979875133 /nfs/dbraw/zinc/87/51/33/979875133.db2.gz MGVTZJXACABURL-ALLBUHFWSA-N -1 0 329.440 3.720 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC(Cc3ccc(Cl)cc3)CC2)C1 ZINC000864218664 979908287 /nfs/dbraw/zinc/90/82/87/979908287.db2.gz ZYGAYPORSWAZSF-JKSUJKDBSA-N -1 0 349.858 3.622 20 0 EHADRM CCn1cc(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)c(C2CC2)n1 ZINC000864225481 979911059 /nfs/dbraw/zinc/91/10/59/979911059.db2.gz RYGMGEBPXBNVPN-UHFFFAOYSA-N -1 0 349.390 3.884 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)[C@@H](c2ccccc2)C2CC2)c2ccccc21 ZINC000864227042 979914848 /nfs/dbraw/zinc/91/48/48/979914848.db2.gz UIMNJLLMEJCETQ-JXFKEZNVSA-N -1 0 335.403 3.785 20 0 EHADRM C[C@@H](Cn1ccc2ccccc21)C(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC001592919177 979915365 /nfs/dbraw/zinc/91/53/65/979915365.db2.gz YVTGNFDRCXXZTI-KBXCAEBGSA-N -1 0 337.375 3.647 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1 ZINC000864228187 979918612 /nfs/dbraw/zinc/91/86/12/979918612.db2.gz JXDMEHBPNAFJKE-AWEZNQCLSA-N -1 0 346.452 3.829 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)[C@H]2CCCc3sccc32)c1 ZINC000864230408 979928000 /nfs/dbraw/zinc/92/80/00/979928000.db2.gz WVNRJTAOGOTZBK-JKSUJKDBSA-N -1 0 343.448 3.809 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001595212312 979998855 /nfs/dbraw/zinc/99/88/55/979998855.db2.gz ZFOCEMGSEFVXEE-HNNXBMFYSA-N -1 0 341.407 3.909 20 0 EHADRM CC[C@H](Cc1ccccc1)N(CC)C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001595213391 980006086 /nfs/dbraw/zinc/00/60/86/980006086.db2.gz QMDAMZDCVKWZCJ-QXPKXGMISA-N -1 0 341.407 3.861 20 0 EHADRM CC(F)(F)c1ccc(C(=O)N[C@@H](CC(=O)[O-])Cc2ccccc2)cc1 ZINC001592944288 980021041 /nfs/dbraw/zinc/02/10/41/980021041.db2.gz XAVXWPSIGJEQJR-MRXNPFEDSA-N -1 0 347.361 3.614 20 0 EHADRM C[C@@H](N(Cc1ccccc1)C(=S)NCCCC(=O)[O-])C(C)(C)C ZINC001592951302 980038814 /nfs/dbraw/zinc/03/88/14/980038814.db2.gz GYOQDBBADKVHNF-CQSZACIVSA-N -1 0 336.501 3.663 20 0 EHADRM COc1ccc2c(c1)CC[C@H]2C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000872718779 980098823 /nfs/dbraw/zinc/09/88/23/980098823.db2.gz GPTPNYUFMKJCDA-MRXNPFEDSA-N -1 0 339.391 3.679 20 0 EHADRM CC[C@H](NC(=O)/C(=C/c1cccc(Cl)c1)c1cccs1)C(=O)[O-] ZINC001595230777 980099945 /nfs/dbraw/zinc/09/99/45/980099945.db2.gz RTGJHIKDZHVZDR-UELRPHRMSA-N -1 0 349.839 3.922 20 0 EHADRM CC[C@](NC(=O)[C@H](C)c1ccc(F)cc1F)(C(=O)[O-])c1ccccc1 ZINC001595232860 980128083 /nfs/dbraw/zinc/12/80/83/980128083.db2.gz KNUSYTRLWAXNNH-CWTRNNRKSA-N -1 0 347.361 3.575 20 0 EHADRM Cc1occ(C(F)(F)F)c1C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC000872738920 980130006 /nfs/dbraw/zinc/13/00/06/980130006.db2.gz UDAPCYMCWNCZOJ-LLVKDONJSA-N -1 0 347.333 3.618 20 0 EHADRM CC[C@](NC(=O)[C@@H]1CCCC12CC2)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595237872 980151605 /nfs/dbraw/zinc/15/16/05/980151605.db2.gz YCJRDSGKJXWFAP-KBXCAEBGSA-N -1 0 335.831 3.726 20 0 EHADRM CC[C@](NC(=O)CCCSC(C)(C)C)(C(=O)[O-])c1ccccc1 ZINC001595238791 980157760 /nfs/dbraw/zinc/15/77/60/980157760.db2.gz ZUZDWHJYXPHAJJ-GOSISDBHSA-N -1 0 337.485 3.805 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C)c(F)c2)CC[C@H]1C(=O)[O-] ZINC000887392965 980220738 /nfs/dbraw/zinc/22/07/38/980220738.db2.gz JYPNJTJMARWGIM-WCQYABFASA-N -1 0 336.407 3.698 20 0 EHADRM CC[C@@](NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595258924 980259656 /nfs/dbraw/zinc/25/96/56/980259656.db2.gz GDDLLCLYJDKPDW-XJTZBENFSA-N -1 0 349.858 3.972 20 0 EHADRM C[C@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc(Cl)c(F)c1 ZINC001593020140 980278989 /nfs/dbraw/zinc/27/89/89/980278989.db2.gz VUKSHMDIHSJBDE-NSHDSACASA-N -1 0 349.789 3.987 20 0 EHADRM C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1Nc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000901441542 980290241 /nfs/dbraw/zinc/29/02/41/980290241.db2.gz JWCMBRCXCJFZIB-VDRRZROTSA-N -1 0 343.876 3.520 20 0 EHADRM CC[C@@H](N[C@H](C)c1ncc(C(=O)[O-])s1)c1ccc2c(c1)CCO2 ZINC001595281841 980339020 /nfs/dbraw/zinc/33/90/20/980339020.db2.gz SZJFZQVEOYSNQG-ZWNOBZJWSA-N -1 0 332.425 3.578 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c(Cl)cc1F ZINC000471128402 1014646080 /nfs/dbraw/zinc/64/60/80/1014646080.db2.gz CJTKDKVANCGLAO-UHFFFAOYSA-N -1 0 335.734 3.867 20 0 EHADRM CC[C@](NCc1nc(C)c(C)s1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595306238 980457037 /nfs/dbraw/zinc/45/70/37/980457037.db2.gz XQXBPCZISPMQAO-MRXNPFEDSA-N -1 0 338.860 3.893 20 0 EHADRM COCc1cc(NC2CCC3(CCOCC3)CC2)cc(C(=O)[O-])c1 ZINC000901738689 980471975 /nfs/dbraw/zinc/47/19/75/980471975.db2.gz DPZNZSDJUQOYNI-UHFFFAOYSA-N -1 0 333.428 3.683 20 0 EHADRM CC[C@@H](Nc1ccc(N(C)C(=O)NC)cc1)c1ccc(C(=O)[O-])cc1 ZINC001595318188 980498219 /nfs/dbraw/zinc/49/82/19/980498219.db2.gz HDPQXVLEJVPFFH-QGZVFWFLSA-N -1 0 341.411 3.724 20 0 EHADRM Cc1ccncc1CNc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC000901773611 980503501 /nfs/dbraw/zinc/50/35/01/980503501.db2.gz DHYZXZZFZQHHSA-UHFFFAOYSA-N -1 0 325.412 3.691 20 0 EHADRM O=C([O-])[C@@]1(C(F)(F)F)CCN(Cc2ccc(C(F)(F)F)s2)C1 ZINC000901788428 980518786 /nfs/dbraw/zinc/51/87/86/980518786.db2.gz GCNZIIWUIZYIFD-SNVBAGLBSA-N -1 0 347.280 3.606 20 0 EHADRM COc1ccc(C[C@H](C)Nc2cccc([C@@H](C)C(=O)[O-])c2)cc1OC ZINC000901813861 980535241 /nfs/dbraw/zinc/53/52/41/980535241.db2.gz FFLBMBYUCDPREM-UONOGXRCSA-N -1 0 343.423 3.935 20 0 EHADRM Cc1cc([C@@H](NCc2csc(C(C)(C)C)n2)C(=O)[O-])ccc1F ZINC000901842675 980562498 /nfs/dbraw/zinc/56/24/98/980562498.db2.gz MAECJVUHRNWPIH-CQSZACIVSA-N -1 0 336.432 3.804 20 0 EHADRM CN(C)c1cc(Cl)cc(Cl)c1CNCc1cc(C(=O)[O-])co1 ZINC000901954150 980648822 /nfs/dbraw/zinc/64/88/22/980648822.db2.gz KEBIUZBIMTZWJU-UHFFFAOYSA-N -1 0 343.210 3.640 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)O[C@H](C(=O)[O-])c1ccccc1Cl ZINC001595355617 980703774 /nfs/dbraw/zinc/70/37/74/980703774.db2.gz GKKUIGRHRGHCDZ-GJZGRUSLSA-N -1 0 340.803 3.747 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC001595356500 980712799 /nfs/dbraw/zinc/71/27/99/980712799.db2.gz LFZGALHKVGCJJO-ROUUACIJSA-N -1 0 347.455 3.692 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001595356901 980717502 /nfs/dbraw/zinc/71/75/02/980717502.db2.gz MIJVBWOOAPACEV-CYBMUJFWSA-N -1 0 349.333 3.768 20 0 EHADRM COc1ccc(N[C@@H]2CCC[C@@H](CCCC(=O)[O-])C2)cc1NC(C)=O ZINC000902094550 980730766 /nfs/dbraw/zinc/73/07/66/980730766.db2.gz PCBJHDMBWJCIHC-LSDHHAIUSA-N -1 0 348.443 3.879 20 0 EHADRM CNC(=O)c1ccc(C)c(N[C@H]2CCC[C@H](CCCC(=O)[O-])C2)c1 ZINC000902104389 980735961 /nfs/dbraw/zinc/73/59/61/980735961.db2.gz KZAOIYYBCPKMOR-ZBFHGGJFSA-N -1 0 332.444 3.580 20 0 EHADRM CC[C@@H](c1ccccc1)N(C(=O)c1cc(C(=O)[O-])ccn1)C(C)C ZINC001595359413 980740889 /nfs/dbraw/zinc/74/08/89/980740889.db2.gz AFAMLFCUYUIUKL-KRWDZBQOSA-N -1 0 326.396 3.782 20 0 EHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1Nc1cccc(Oc2cnccn2)c1 ZINC000902117668 980742701 /nfs/dbraw/zinc/74/27/01/980742701.db2.gz VQEIFYVYZQHITP-IOASZLSFSA-N -1 0 327.384 3.570 20 0 EHADRM C[C@H](Nc1cccc(COCC(F)(F)C(F)F)c1)[C@H]1C[C@H]1C(=O)[O-] ZINC000902141449 980753777 /nfs/dbraw/zinc/75/37/77/980753777.db2.gz YJACQAWNCSEFEU-ZWKOPEQDSA-N -1 0 349.324 3.625 20 0 EHADRM COCCOc1ccc(N[C@@H]2CC[C@@H](CC(=O)[O-])[C@@H]2C)cc1Cl ZINC000902151467 980759185 /nfs/dbraw/zinc/75/91/85/980759185.db2.gz AWROGDAAWVPXAC-SLEUVZQESA-N -1 0 341.835 3.667 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@@H](C)OC1CCCCC1 ZINC001595361445 980761877 /nfs/dbraw/zinc/76/18/77/980761877.db2.gz IARDMZFGABWHBH-CRAIPNDOSA-N -1 0 347.455 3.789 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)C[C@@H]1CCC[C@@H](OC)C1 ZINC001595361950 980767134 /nfs/dbraw/zinc/76/71/34/980767134.db2.gz SEBGDPDVICGGMS-KBAYOESNSA-N -1 0 347.455 3.646 20 0 EHADRM C[C@H]1CN(C(=O)c2ccccc2NC2CCCCC2)CC[C@H]1C(=O)[O-] ZINC000902179041 980771355 /nfs/dbraw/zinc/77/13/55/980771355.db2.gz XYBIARZRBNVJQR-GOEBONIOSA-N -1 0 344.455 3.614 20 0 EHADRM O=C([O-])/C=C/c1ccc(CNc2cccc(COCC3CC3)c2)o1 ZINC000902183305 980772536 /nfs/dbraw/zinc/77/25/36/980772536.db2.gz XIVYFJPEPJOBDC-CMDGGOBGSA-N -1 0 327.380 3.916 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1ncc(C)c(OC)c1C ZINC001595362934 980776861 /nfs/dbraw/zinc/77/68/61/980776861.db2.gz UCBWGHHHZICOKY-GOSISDBHSA-N -1 0 342.439 3.745 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001595363763 980785710 /nfs/dbraw/zinc/78/57/10/980785710.db2.gz LMYKESAUCORDJS-BYIUCRAPSA-N -1 0 327.380 3.991 20 0 EHADRM CCc1ccc([C@@H](COC)NCc2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC000902273205 980812014 /nfs/dbraw/zinc/81/20/14/980812014.db2.gz PJCPKCOZEOZECX-OAHLLOKOSA-N -1 0 337.803 3.671 20 0 EHADRM CCC1(CC)CN(C(=O)Nc2cccc(C(=O)[O-])c2C)CCS1 ZINC001595375609 980897766 /nfs/dbraw/zinc/89/77/66/980897766.db2.gz STLGKJYCEOPLIA-UHFFFAOYSA-N -1 0 336.457 3.833 20 0 EHADRM CCC1(CC)Oc2ccc(NC(=O)c3cccc(C(=O)[O-])c3)cc2O1 ZINC001595376920 980909664 /nfs/dbraw/zinc/90/96/64/980909664.db2.gz RTNRUVAYDQBXGS-UHFFFAOYSA-N -1 0 341.363 3.925 20 0 EHADRM CCN(C)c1ccc(CNc2ccc(SC)c(C(=O)[O-])c2)cn1 ZINC000902566470 980936214 /nfs/dbraw/zinc/93/62/14/980936214.db2.gz BCPXDQOTPHRUTD-UHFFFAOYSA-N -1 0 331.441 3.570 20 0 EHADRM CC[C@H]1C[C@@H](C)CN1C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001595409115 981005279 /nfs/dbraw/zinc/00/52/79/981005279.db2.gz SHFHEASTIJHCQS-OLZOCXBDSA-N -1 0 334.416 3.824 20 0 EHADRM CC[C@H]1C[C@H](CC(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)CCO1 ZINC001595412278 981009875 /nfs/dbraw/zinc/00/98/75/981009875.db2.gz BRHVSSQDSHTEBN-HIFRSBDPSA-N -1 0 334.412 3.550 20 0 EHADRM CCC1CCC(NC(=O)C[C@H]2CCc3ccccc3C2)(C(=O)[O-])CC1 ZINC001595420875 981038952 /nfs/dbraw/zinc/03/89/52/981038952.db2.gz NZYUEVLJRNVCKC-TZQQIIETSA-N -1 0 343.467 3.721 20 0 EHADRM CCC1CCC(NC(=O)C/C=C/Cc2ccccc2)(C(=O)[O-])CC1 ZINC001595420923 981039500 /nfs/dbraw/zinc/03/95/00/981039500.db2.gz QCAFSARCJZKYCW-VOTSOKGWSA-N -1 0 329.440 3.715 20 0 EHADRM CCC1CCC(NC(=O)/C=C(/C)c2ccccc2C)(C(=O)[O-])CC1 ZINC001595421026 981040155 /nfs/dbraw/zinc/04/01/55/981040155.db2.gz XEYBHGWTDOGXRH-SQFISAMPSA-N -1 0 329.440 3.938 20 0 EHADRM C[C@@H](c1ncc(C(C)(C)C)o1)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC000903923847 981040945 /nfs/dbraw/zinc/04/09/45/981040945.db2.gz DBRRHJLWFZSRBM-QWRGUYRKSA-N -1 0 349.456 3.677 20 0 EHADRM CC[C@@H]1CCC[C@H](NC(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)C1 ZINC001595432327 981057281 /nfs/dbraw/zinc/05/72/81/981057281.db2.gz PLJXPCFZPYTHFY-OLZOCXBDSA-N -1 0 348.418 3.560 20 0 EHADRM O=C([O-])c1ccc(-c2nc(CN(Cc3ccoc3)C3CC3)co2)cc1 ZINC000903947168 981072475 /nfs/dbraw/zinc/07/24/75/981072475.db2.gz UEBVZHHJVUAFDD-UHFFFAOYSA-N -1 0 338.363 3.797 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1CNC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001595441026 981078384 /nfs/dbraw/zinc/07/83/84/981078384.db2.gz MNDAROORUKPUOA-RHSMWYFYSA-N -1 0 344.455 3.669 20 0 EHADRM CC[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC001595443709 981082702 /nfs/dbraw/zinc/08/27/02/981082702.db2.gz AHVVULRLDYEMCB-AAEUAGOBSA-N -1 0 339.461 3.593 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001595444225 981086999 /nfs/dbraw/zinc/08/69/99/981086999.db2.gz KZZJQYUMOVQCNU-KOLCDFICSA-N -1 0 325.796 3.524 20 0 EHADRM CC[C@@H](CNC(=O)Nc1ccccc1SC(F)(F)F)C(=O)[O-] ZINC000905054794 981087789 /nfs/dbraw/zinc/08/77/89/981087789.db2.gz PXXSTRKZISPEIS-QMMMGPOBSA-N -1 0 336.335 3.531 20 0 EHADRM CCOc1cccc2cc([C@H](C)NCc3ccc(C(=O)[O-])cn3)oc21 ZINC000905720068 981122975 /nfs/dbraw/zinc/12/29/75/981122975.db2.gz WEOVWVHODWOWJT-LBPRGKRZSA-N -1 0 340.379 3.776 20 0 EHADRM CC[C@H]1CCC[C@@H]1CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001595459244 981137005 /nfs/dbraw/zinc/13/70/05/981137005.db2.gz XZKJSSCILUINFG-VHSXEESVSA-N -1 0 326.343 3.611 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC000907587064 981197647 /nfs/dbraw/zinc/19/76/47/981197647.db2.gz ZWCBYOINEPYYNH-LJQANCHMSA-N -1 0 331.412 3.924 20 0 EHADRM CC[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2)c2cccc(Cl)c2O1 ZINC001595480891 981199583 /nfs/dbraw/zinc/19/95/83/981199583.db2.gz PLONTAMBYWKYHC-CYBMUJFWSA-N -1 0 345.782 3.856 20 0 EHADRM Cc1cccc2oc(C(=O)N3CCC[C@H](C(C)(C)C(=O)[O-])C3)cc21 ZINC000907629186 981201903 /nfs/dbraw/zinc/20/19/03/981201903.db2.gz OTXBLDHBPRUUJI-ZDUSSCGKSA-N -1 0 329.396 3.704 20 0 EHADRM COc1cc(NC(=O)c2ccccc2C2CCC2)ccc1C(=O)[O-] ZINC000907662898 981205466 /nfs/dbraw/zinc/20/54/66/981205466.db2.gz ZSKMKVVZTZYIRL-UHFFFAOYSA-N -1 0 325.364 3.913 20 0 EHADRM O=C([O-])CCc1csc(NC(=O)c2ccccc2C2CCC2)n1 ZINC000907767342 981217297 /nfs/dbraw/zinc/21/72/97/981217297.db2.gz NWKQGTXTCYVPDE-UHFFFAOYSA-N -1 0 330.409 3.680 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)CCCc3ccc(C4CC4)cc3)[C@@H]2C1 ZINC000907948739 981243898 /nfs/dbraw/zinc/24/38/98/981243898.db2.gz ODUZWXWZFSYBAX-MKXGPGLRSA-N -1 0 341.451 3.502 20 0 EHADRM C[C@@H](C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl)N1CC(C)C1 ZINC000654979694 1014717376 /nfs/dbraw/zinc/71/73/76/1014717376.db2.gz KCPOPIFCOIRHOJ-ZETCQYMHSA-N -1 0 337.634 3.631 20 0 EHADRM Cc1cccc(NC(=O)[C@H](C)CC(=O)[O-])c1OCc1ccccc1 ZINC000907976318 981248634 /nfs/dbraw/zinc/24/86/34/981248634.db2.gz HNIZYORMZKABOK-CQSZACIVSA-N -1 0 327.380 3.623 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N[C@H]1CCC[C@H](c2ccccc2)CC1 ZINC000907991981 981251872 /nfs/dbraw/zinc/25/18/72/981251872.db2.gz VRJWUQKYXTVEFS-HOTGVXAUSA-N -1 0 341.407 3.753 20 0 EHADRM O=C([O-])C1CC2(C1)C[C@@H](NC(=O)C1CCCCCCC1)CCS2 ZINC000908167346 981276103 /nfs/dbraw/zinc/27/61/03/981276103.db2.gz UUAHGQUUWJXCOQ-CSLYMUCUSA-N -1 0 339.501 3.592 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)c2cc(-c3cccs3)on2)CCC1 ZINC000908334230 981301269 /nfs/dbraw/zinc/30/12/69/981301269.db2.gz ZXQAVRNOTBSGDW-UHFFFAOYSA-N -1 0 348.424 3.558 20 0 EHADRM Cc1ccsc1CCCC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000908607327 981329077 /nfs/dbraw/zinc/32/90/77/981329077.db2.gz VEUYITGNMZRCPC-OAHLLOKOSA-N -1 0 349.427 3.851 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1coc(C2CCCCC2)n1)c1cccs1 ZINC000908641714 981331695 /nfs/dbraw/zinc/33/16/95/981331695.db2.gz LIXFADRLKQSCDY-GFCCVEGCSA-N -1 0 348.424 3.730 20 0 EHADRM Cc1cccc(Cl)c1CC(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000908643250 981332145 /nfs/dbraw/zinc/33/21/45/981332145.db2.gz XDELNRZOWABVMY-ZDUSSCGKSA-N -1 0 337.828 3.585 20 0 EHADRM Cc1ccc2sc(C(=O)N3CCC4(C[C@@H]4C(=O)[O-])CC3)cc2c1 ZINC000908656089 981334976 /nfs/dbraw/zinc/33/49/76/981334976.db2.gz RQEQARIKUBMQRA-CYBMUJFWSA-N -1 0 329.421 3.537 20 0 EHADRM CCCC(=CC(=O)N[C@](C)(Cc1ccc(F)cc1)C(=O)[O-])CCC ZINC001595521986 981343086 /nfs/dbraw/zinc/34/30/86/981343086.db2.gz HMFYVRBRIZKZPP-LJQANCHMSA-N -1 0 335.419 3.854 20 0 EHADRM CCCC(=CC(=O)Oc1cc(C(=O)[O-])cc(C(=O)OC)c1)CCC ZINC001595522857 981345518 /nfs/dbraw/zinc/34/55/18/981345518.db2.gz VIOMHTUCWRMYJR-UHFFFAOYSA-N -1 0 334.368 3.603 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000908742919 981351906 /nfs/dbraw/zinc/35/19/06/981351906.db2.gz RIGFZIAHXFROHI-ZWKOTPCHSA-N -1 0 345.414 3.723 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000908750594 981353396 /nfs/dbraw/zinc/35/33/96/981353396.db2.gz IKHYGUSSBIYKFX-LJLKPOLSSA-N -1 0 341.407 3.954 20 0 EHADRM O=C([O-])C12CCC(C(=O)Nc3cccc(COCC4CC4)c3)(CC1)C2 ZINC000908762775 981356083 /nfs/dbraw/zinc/35/60/83/981356083.db2.gz IQVJHIQSLXVYQE-UHFFFAOYSA-N -1 0 343.423 3.587 20 0 EHADRM Cc1cc(C)c(CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c(C)c1 ZINC000908766068 981357640 /nfs/dbraw/zinc/35/76/40/981357640.db2.gz LSJGLLAGYBNMKB-UHFFFAOYSA-N -1 0 329.440 3.653 20 0 EHADRM Cc1cc(C)cc([C@@H](C)NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC000908784709 981362426 /nfs/dbraw/zinc/36/24/26/981362426.db2.gz DJUDDOJDRDYBSG-APMMTJHUSA-N -1 0 329.440 3.906 20 0 EHADRM CCC[C@H](C(=O)N1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1)C(C)C ZINC001595532162 981371062 /nfs/dbraw/zinc/37/10/62/981371062.db2.gz FXDSLJHPFRNMBZ-OLZOCXBDSA-N -1 0 338.473 3.620 20 0 EHADRM CCC[C@H](C(=O)N1CCc2c(cccc2C(=O)[O-])C1)c1ccccc1 ZINC001595532473 981372649 /nfs/dbraw/zinc/37/26/49/981372649.db2.gz JYXQEORNOQFYST-SFHVURJKSA-N -1 0 337.419 3.853 20 0 EHADRM CCC[C@@H](C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-])c1ccccc1 ZINC001595536214 981381335 /nfs/dbraw/zinc/38/13/35/981381335.db2.gz RVCSPVJIUIRCRC-QZTJIDSGSA-N -1 0 331.456 3.968 20 0 EHADRM CCC[C@H](C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2)C(C)C ZINC001595539197 981397565 /nfs/dbraw/zinc/39/75/65/981397565.db2.gz ZWLPSYLKJKCRIY-JTQLQIEISA-N -1 0 325.430 3.530 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CCC[C@H](O)c1ccccc1 ZINC000909087121 981416451 /nfs/dbraw/zinc/41/64/51/981416451.db2.gz SUZYWOHQKFQICD-KRWDZBQOSA-N -1 0 327.380 3.536 20 0 EHADRM CCC[C@H]1C[C@@H](C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CCO1 ZINC000909109154 981419304 /nfs/dbraw/zinc/41/93/04/981419304.db2.gz YUVOZSTYUZOTDS-JQWIXIFHSA-N -1 0 325.792 3.572 20 0 EHADRM CSCC(C)(C)C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000909215571 981434836 /nfs/dbraw/zinc/43/48/36/981434836.db2.gz ITABCXZBLQLJQH-UHFFFAOYSA-N -1 0 337.466 3.605 20 0 EHADRM CCC[C@@](C)(NC(=O)c1ccc(-c2ccc(C=O)s2)cc1)C(=O)[O-] ZINC001595554278 981435886 /nfs/dbraw/zinc/43/58/86/981435886.db2.gz XSTOVLPRYIOHNR-GOSISDBHSA-N -1 0 345.420 3.601 20 0 EHADRM CCC[C@H](C)CC(=O)Nc1cc(Br)ccc1C(=O)[O-] ZINC001595570952 981476909 /nfs/dbraw/zinc/47/69/09/981476909.db2.gz MEFSROFPOJNANW-VIFPVBQESA-N -1 0 328.206 3.912 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CCC[C@@H]1CCc1ccccc1 ZINC000909402907 981485286 /nfs/dbraw/zinc/48/52/86/981485286.db2.gz QCUVJPZJHWCMCS-OAHLLOKOSA-N -1 0 327.380 3.524 20 0 EHADRM CC(C)C[C@@H]1CCCCN1C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC000909412313 981487476 /nfs/dbraw/zinc/48/74/76/981487476.db2.gz AQYQBHXQQUXYOR-AWEZNQCLSA-N -1 0 342.439 3.836 20 0 EHADRM C[C@@H]1C[C@H]1[C@H](NC(=O)c1ccoc1CC(=O)[O-])c1ccc(Cl)cc1 ZINC000909413297 981488384 /nfs/dbraw/zinc/48/83/84/981488384.db2.gz QFQFZCCVAJILSS-LGFNAOKASA-N -1 0 347.798 3.687 20 0 EHADRM CCC[C@H](C)c1noc(-c2ccc(OCC(=O)[O-])c(OCC)c2)n1 ZINC001595580063 981513353 /nfs/dbraw/zinc/51/33/53/981513353.db2.gz XQVYBWAFOAVBCF-NSHDSACASA-N -1 0 334.372 3.502 20 0 EHADRM CSc1cc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c(C)o1 ZINC000909522210 981528296 /nfs/dbraw/zinc/52/82/96/981528296.db2.gz FFJQDAPSRAKSDH-JTQLQIEISA-N -1 0 333.409 3.825 20 0 EHADRM CCC[C@H](CCc1ccccc1)NC(=O)NCC(C)(C)CC(=O)[O-] ZINC001595592212 981550604 /nfs/dbraw/zinc/55/06/04/981550604.db2.gz WQIDFODKMWLYEX-MRXNPFEDSA-N -1 0 334.460 3.588 20 0 EHADRM CCC[C@H](Cc1ccccc1)NC(=O)c1ccccc1CCC(=O)[O-] ZINC001595594299 981561663 /nfs/dbraw/zinc/56/16/63/981561663.db2.gz PRFWVSMNBUOBJO-GOSISDBHSA-N -1 0 339.435 3.845 20 0 EHADRM CCC[C@H](NC(=O)Nc1cc(C(=O)[O-])cnc1Cl)C(C)(C)C ZINC001595600814 981583656 /nfs/dbraw/zinc/58/36/56/981583656.db2.gz XPICDZZFFCQCSX-NSHDSACASA-N -1 0 327.812 3.770 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N(CCCc1ccccc1)c1ccccc1 ZINC001594740688 981606064 /nfs/dbraw/zinc/60/60/64/981606064.db2.gz FIVUZDRKUANQBR-GOSISDBHSA-N -1 0 325.408 3.763 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N[C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC001594749998 981652689 /nfs/dbraw/zinc/65/26/89/981652689.db2.gz ZDVXCVAKSNVKPR-CVEARBPZSA-N -1 0 349.789 3.796 20 0 EHADRM C[C@@H](c1ccc(C(=O)NC[C@H](CC2CC2)C(=O)[O-])cc1)C(F)(F)F ZINC000909884257 981696854 /nfs/dbraw/zinc/69/68/54/981696854.db2.gz OZCGBWCXCPNKII-HZMBPMFUSA-N -1 0 343.345 3.583 20 0 EHADRM CCC[C@@H]1CCC[C@H]1C(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001595621371 981699576 /nfs/dbraw/zinc/69/95/76/981699576.db2.gz HFVKKESDBZBXJQ-KBRIMQKVSA-N -1 0 343.423 3.761 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1cc(C)cc(Cl)n1)c1ccccc1 ZINC001594768125 981728158 /nfs/dbraw/zinc/72/81/58/981728158.db2.gz ORUSLGWPUJCRFD-AWEZNQCLSA-N -1 0 332.787 3.553 20 0 EHADRM CCC/C=C/C(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001595624130 981728888 /nfs/dbraw/zinc/72/88/88/981728888.db2.gz MPQKZONXPVZKAM-NFAHFFEMSA-N -1 0 330.211 3.766 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@@H]1CCOC2(CCCC2)C1)c1ccccc1 ZINC001594768334 981729436 /nfs/dbraw/zinc/72/94/36/981729436.db2.gz VSUYTMMMXIANNC-NVXWUHKLSA-N -1 0 345.439 3.622 20 0 EHADRM CCSc1ccccc1CC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000910047847 981744613 /nfs/dbraw/zinc/74/46/13/981744613.db2.gz RCWCXMSKNIGQDX-UHFFFAOYSA-N -1 0 341.432 3.582 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@@H]1Cc2ccc(C)cc2S1 ZINC001594779535 981781369 /nfs/dbraw/zinc/78/13/69/981781369.db2.gz APZLLJMNJYACEJ-QFBILLFUSA-N -1 0 347.480 3.504 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)CC[C@@H]1CCc2ccccc21 ZINC001594783515 981795353 /nfs/dbraw/zinc/79/53/53/981795353.db2.gz XZCVYMJEJYIKKO-LAUBAEHRSA-N -1 0 343.467 3.989 20 0 EHADRM CC1(/C=C\C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CCOCC1 ZINC000910247991 981819707 /nfs/dbraw/zinc/81/97/07/981819707.db2.gz QGKUDUPQDHTJBP-HJWRWDBZSA-N -1 0 339.391 3.849 20 0 EHADRM CS[C@@H](C)CC(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000910254518 981831427 /nfs/dbraw/zinc/83/14/27/981831427.db2.gz YIJYPNZQQNJUGU-QMMMGPOBSA-N -1 0 346.246 3.536 20 0 EHADRM CCCC[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC001595631366 981837514 /nfs/dbraw/zinc/83/75/14/981837514.db2.gz MUYGVAFZLUISPO-ZWNOBZJWSA-N -1 0 342.233 3.517 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(OC(C)C)cc1 ZINC001594789430 981839172 /nfs/dbraw/zinc/83/91/72/981839172.db2.gz AIWSUDAERSTFHL-LJQANCHMSA-N -1 0 333.428 3.579 20 0 EHADRM Cc1nc(NC[C@H]2CCCO[C@H]2c2ccccc2)ccc1C(=O)[O-] ZINC000910290472 981844977 /nfs/dbraw/zinc/84/49/77/981844977.db2.gz OVRUYFDYNYVPDO-QAPCUYQASA-N -1 0 326.396 3.668 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC001594792052 981857513 /nfs/dbraw/zinc/85/75/13/981857513.db2.gz KJGRYUKCJWBHCV-MRXNPFEDSA-N -1 0 343.345 3.811 20 0 EHADRM CCCC[C@@H](CCC)CNC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001595632587 981857733 /nfs/dbraw/zinc/85/77/33/981857733.db2.gz KCXTZHUUWNLLSB-GPMSIDNRSA-N -1 0 338.492 3.879 20 0 EHADRM Cc1nc(N[C@@H]2CCCc3cn(C4CCCC4)nc32)ccc1C(=O)[O-] ZINC000910305528 981863413 /nfs/dbraw/zinc/86/34/13/981863413.db2.gz KYPBLTFQALSZQI-MRXNPFEDSA-N -1 0 340.427 3.889 20 0 EHADRM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)Nc2ccn(CC(=O)[O-])n2)CC1 ZINC001594809520 981926878 /nfs/dbraw/zinc/92/68/78/981926878.db2.gz XTKYSCYNWANJNG-SHYRYGCCSA-N -1 0 347.459 3.539 20 0 EHADRM CCC(C)(C)c1ccc(CNC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)cc1 ZINC001594814781 981939812 /nfs/dbraw/zinc/93/98/12/981939812.db2.gz WWCYWKBVKHTGSM-UHFFFAOYSA-N -1 0 342.439 3.947 20 0 EHADRM C[C@@H](Nc1ccc(C(F)(F)F)cn1)c1ccc(OCC(=O)[O-])cc1 ZINC000910465438 981948347 /nfs/dbraw/zinc/94/83/47/981948347.db2.gz CFAIXHWNGZINRE-SNVBAGLBSA-N -1 0 340.301 3.737 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCCSC[C@@H]1c1ccccc1 ZINC000910512815 981978467 /nfs/dbraw/zinc/97/84/67/981978467.db2.gz MMBSUAZGHDPUJR-GVDBMIGSSA-N -1 0 347.480 3.584 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CC1CCC(C(F)(F)F)CC1)C1CCCC1 ZINC000910562392 981991839 /nfs/dbraw/zinc/99/18/39/981991839.db2.gz FZHZWHKPHKQKIJ-UXUKBGGZSA-N -1 0 349.393 3.895 20 0 EHADRM CCCC[C@H](O)CCC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001595646632 982000346 /nfs/dbraw/zinc/00/03/46/982000346.db2.gz SEPNDQSVDKJKGX-LBPRGKRZSA-N -1 0 335.425 3.869 20 0 EHADRM CCCC[C@@H](OC(=O)[C@@H](C)Cc1cncc2ccccc21)C(=O)[O-] ZINC001595646789 982001247 /nfs/dbraw/zinc/00/12/47/982001247.db2.gz UTCDSIXBZIKZDB-SUMWQHHRSA-N -1 0 329.396 3.600 20 0 EHADRM CCCC[C@@H](S[C@@H](C)C(=O)Nc1ccc(F)c(F)c1)C(=O)[O-] ZINC001595650946 982014577 /nfs/dbraw/zinc/01/45/77/982014577.db2.gz ABEQXVVEHRMKQR-TVQRCGJNSA-N -1 0 331.384 3.668 20 0 EHADRM CCCC[C@@H](S[C@H](Cc1ccc(Cl)cc1)C(=O)[O-])C(=O)OC ZINC001595651886 982028057 /nfs/dbraw/zinc/02/80/57/982028057.db2.gz LXVYRIUKUDKWDJ-ZIAGYGMSSA-N -1 0 344.860 3.801 20 0 EHADRM CCCC[C@H](SCc1cc(OC)c(OC)cc1OC)C(=O)[O-] ZINC001595654595 982041896 /nfs/dbraw/zinc/04/18/96/982041896.db2.gz FGCRCCJXQZBNMN-HNNXBMFYSA-N -1 0 328.430 3.589 20 0 EHADRM CCCC[C@H](SCC(=O)N[C@H](c1ccccc1)C1CC1)C(=O)[O-] ZINC001595655118 982042683 /nfs/dbraw/zinc/04/26/83/982042683.db2.gz HHYLSVCYKOVRIL-DOTOQJQBSA-N -1 0 335.469 3.631 20 0 EHADRM CCc1c(NC(=O)c2ccc(C(=O)[O-])cc2)cnn1C(CC)CC ZINC000910655875 982043713 /nfs/dbraw/zinc/04/37/13/982043713.db2.gz GSTHUXCTRASLEK-UHFFFAOYSA-N -1 0 329.400 3.757 20 0 EHADRM CCc1c(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)cnn1C(CC)CC ZINC000910657349 982044409 /nfs/dbraw/zinc/04/44/09/982044409.db2.gz WSBVUDAQKFPMRK-NTMALXAHSA-N -1 0 345.399 3.750 20 0 EHADRM CCCc1c(NC(=O)C[C@@H](C)CC(=O)[O-])cnn1-c1ccccc1C ZINC000910656853 982044803 /nfs/dbraw/zinc/04/48/03/982044803.db2.gz RKXMOKKTJLADRD-CYBMUJFWSA-N -1 0 343.427 3.573 20 0 EHADRM CCCC[C@H](SCC(=O)N1CCC[C@H]2CCCC[C@@H]21)C(=O)[O-] ZINC001595656179 982051056 /nfs/dbraw/zinc/05/10/56/982051056.db2.gz VMQGFHLSIZZKIH-ILXRZTDVSA-N -1 0 327.490 3.544 20 0 EHADRM CCCC[C@H](SC[C@@H]1CN(C2CCCCC2)C(=O)O1)C(=O)[O-] ZINC001595656398 982051891 /nfs/dbraw/zinc/05/18/91/982051891.db2.gz YAZGTUDUAAKZPP-KBPBESRZSA-N -1 0 329.462 3.517 20 0 EHADRM CC[C@](C)(NC(=O)c1cc2cc(C(F)(F)F)ccc2s1)C(=O)[O-] ZINC001594841662 982057346 /nfs/dbraw/zinc/05/73/46/982057346.db2.gz GFAJYMHRZUCBRC-AWEZNQCLSA-N -1 0 345.342 3.903 20 0 EHADRM CCCCC[C@@H](C)CC(=O)Nc1c(C(=O)[O-])nnn1-c1ccccc1 ZINC001595666467 982101450 /nfs/dbraw/zinc/10/14/50/982101450.db2.gz JXHOACNGHCUVSP-CYBMUJFWSA-N -1 0 344.415 3.511 20 0 EHADRM CC[C@](C)(NCc1oc2ccccc2c1Br)C(=O)[O-] ZINC001594853137 982107977 /nfs/dbraw/zinc/10/79/77/982107977.db2.gz ITQYDVDPTLYJQM-AWEZNQCLSA-N -1 0 326.190 3.538 20 0 EHADRM CCCCC[C@H](NC(=O)c1cc(C)cc(Br)c1)C(=O)[O-] ZINC001595676459 982146827 /nfs/dbraw/zinc/14/68/27/982146827.db2.gz KHYYMIXNKGSNKA-ZDUSSCGKSA-N -1 0 342.233 3.521 20 0 EHADRM CC/C(C)=C/C(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC001594864258 982158297 /nfs/dbraw/zinc/15/82/97/982158297.db2.gz GKSNGXBSWIHANA-PKNBQFBNSA-N -1 0 330.409 3.732 20 0 EHADRM CCC[C@H]1C[C@@H](C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)CCO1 ZINC000910948366 982173520 /nfs/dbraw/zinc/17/35/20/982173520.db2.gz ZFMGLORFOZLZMJ-AAEUAGOBSA-N -1 0 337.441 3.641 20 0 EHADRM CC[C@H](C)[C@H](C)C(=O)N[C@@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001594872181 982186329 /nfs/dbraw/zinc/18/63/29/982186329.db2.gz AIVFRJNQIZQBBW-NVGCLXPQSA-N -1 0 325.836 3.828 20 0 EHADRM CCCCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001595689506 982186673 /nfs/dbraw/zinc/18/66/73/982186673.db2.gz CHGMZASTTGBXCE-GFCCVEGCSA-N -1 0 345.486 3.570 20 0 EHADRM CCCCCC[C@H](C)C(=O)N1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC001595694689 982213134 /nfs/dbraw/zinc/21/31/34/982213134.db2.gz GXELXRHOXZQVCS-AWEZNQCLSA-N -1 0 347.455 3.885 20 0 EHADRM CCCCCC[C@H](C)NC(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001595696550 982230922 /nfs/dbraw/zinc/23/09/22/982230922.db2.gz BLRYVCPSKQRLEG-ZDUSSCGKSA-N -1 0 346.431 3.601 20 0 EHADRM CC[C@H](C)[C@@H](C)N(C(=O)NCc1ccc(C(=O)[O-])c(OC)c1)C1CC1 ZINC001594881013 982233117 /nfs/dbraw/zinc/23/31/17/982233117.db2.gz KPMZXPYWLZJLCX-QWHCGFSZSA-N -1 0 348.443 3.502 20 0 EHADRM CC[C@H](C)[C@H](C)NC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001594881946 982245507 /nfs/dbraw/zinc/24/55/07/982245507.db2.gz VSMMUBVOWLBCOZ-HEHGZKQESA-N -1 0 332.444 3.539 20 0 EHADRM CCCCCC[C@@H](O)CCC(=O)N1CCCc2ccc(C(=O)[O-])cc21 ZINC001595702301 982262928 /nfs/dbraw/zinc/26/29/28/982262928.db2.gz GKKGTWHWHVEAMM-QGZVFWFLSA-N -1 0 347.455 3.776 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)/C=C/c1ccc(F)c2ccccc12)C(=O)[O-] ZINC001594884602 982264729 /nfs/dbraw/zinc/26/47/29/982264729.db2.gz WYPPUYOUQXRKGZ-KHODVLHWSA-N -1 0 329.371 3.608 20 0 EHADRM CCCCCC[C@@H](O)CCC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001595703922 982272801 /nfs/dbraw/zinc/27/28/01/982272801.db2.gz YZSBGCQGRTUAKE-CQSZACIVSA-N -1 0 346.427 3.916 20 0 EHADRM CCCCCOc1ccc(C(=O)N([C@H](C)C(=O)[O-])C2CCC2)cc1 ZINC001595721674 982337598 /nfs/dbraw/zinc/33/75/98/982337598.db2.gz QWDRGWXPYKCVJP-CQSZACIVSA-N -1 0 333.428 3.723 20 0 EHADRM CCCCCOc1ccc(C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])cc1 ZINC001595722113 982339633 /nfs/dbraw/zinc/33/96/33/982339633.db2.gz UEKBBYQOINEUTA-INIZCTEOSA-N -1 0 335.444 3.875 20 0 EHADRM CCCCN(C(=O)Nc1cccc(C(=O)[O-])n1)[C@@H]1CCC[C@@H](C)C1 ZINC001595731969 982365818 /nfs/dbraw/zinc/36/58/18/982365818.db2.gz MLGNPASWADAFQG-ZIAGYGMSSA-N -1 0 333.432 3.993 20 0 EHADRM CCCCN(C(=O)Nc1nn(C)cc1C(=O)[O-])[C@@H](C)c1ccccc1 ZINC001595731981 982366097 /nfs/dbraw/zinc/36/60/97/982366097.db2.gz MYUHODWCEGZCTC-ZDUSSCGKSA-N -1 0 344.415 3.514 20 0 EHADRM Cc1nc(-c2ccccc2NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cs1 ZINC000911374350 982390981 /nfs/dbraw/zinc/39/09/81/982390981.db2.gz QSTWMLDOASHWRH-QWHCGFSZSA-N -1 0 344.436 3.948 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)Cc1ccc(C2CCCCC2)cc1)C(=O)[O-] ZINC001594908576 982400694 /nfs/dbraw/zinc/40/06/94/982400694.db2.gz IILYUFFFRCKQME-KUHUBIRLSA-N -1 0 331.456 3.892 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 ZINC000911392073 982415085 /nfs/dbraw/zinc/41/50/85/982415085.db2.gz ZWFMOWPMUOISQQ-UHFFFAOYSA-N -1 0 329.352 3.767 20 0 EHADRM CCCCN(Cc1c(C)oc(C)c1C)C(=O)c1ccc(C(=O)[O-])cn1 ZINC001595749191 982421605 /nfs/dbraw/zinc/42/16/05/982421605.db2.gz OGRSZPNFZQGCMZ-UHFFFAOYSA-N -1 0 344.411 3.741 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1cccc(SC(F)(F)F)c1)C(=O)[O-] ZINC001594912861 982426183 /nfs/dbraw/zinc/42/61/83/982426183.db2.gz PZKOHFDNQZWYHH-KWQFWETISA-N -1 0 335.347 3.528 20 0 EHADRM CCCCNC(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC001595759141 982464703 /nfs/dbraw/zinc/46/47/03/982464703.db2.gz KOMLAWNCSPPGDN-UHFFFAOYSA-N -1 0 342.395 3.885 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000911591756 982522758 /nfs/dbraw/zinc/52/27/58/982522758.db2.gz NCTWDNRUSPQSFO-UHFFFAOYSA-N -1 0 348.830 3.528 20 0 EHADRM CC[C@@H](C)[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)[O-] ZINC001594928428 982537226 /nfs/dbraw/zinc/53/72/26/982537226.db2.gz IHKNFPWOHUQNBJ-RISCZKNCSA-N -1 0 331.441 3.736 20 0 EHADRM CCCCOc1ccccc1NC(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001595781296 982562320 /nfs/dbraw/zinc/56/23/20/982562320.db2.gz YGGRQCFLWMNHLI-UHFFFAOYSA-N -1 0 331.372 3.546 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N2CC=C(c3cccc4ccccc43)C2)C1 ZINC000911650958 982584076 /nfs/dbraw/zinc/58/40/76/982584076.db2.gz IHTXNRXIICTLJP-IRXDYDNUSA-N -1 0 349.430 3.956 20 0 EHADRM CC/C(=C/C(=O)N[C@H](CC(=O)[O-])c1ccncc1)c1ccc(C)cc1 ZINC000911658768 982588155 /nfs/dbraw/zinc/58/81/55/982588155.db2.gz HHBPYROADIRMTG-WTQUMQLASA-N -1 0 338.407 3.516 20 0 EHADRM CCCCSc1ccc(Cl)cc1C(=O)NC[C@H](C)C(=O)[O-] ZINC001595791572 982590065 /nfs/dbraw/zinc/59/00/65/982590065.db2.gz CRTUEVMJYYLOLR-JTQLQIEISA-N -1 0 329.849 3.683 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)CCc1ccc(F)c2ccccc12)C(=O)[O-] ZINC001594938450 982607151 /nfs/dbraw/zinc/60/71/51/982607151.db2.gz KZELTUJNIBUTJJ-SCLBCKFNSA-N -1 0 345.414 3.917 20 0 EHADRM CCCCc1nc(CNc2ccc(C(=O)[O-])c3ccccc23)no1 ZINC001595798278 982610050 /nfs/dbraw/zinc/61/00/50/982610050.db2.gz BIAGXSWSMYQWDP-UHFFFAOYSA-N -1 0 325.368 3.876 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)CSc1ccc2ccccc2c1)C(=O)[O-] ZINC001594942005 982616542 /nfs/dbraw/zinc/61/65/42/982616542.db2.gz IWECHPHIHHRKJU-CXAGYDPISA-N -1 0 345.464 3.938 20 0 EHADRM CO[C@@H]1CCC[C@H](CC(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)C1 ZINC000911734522 982619005 /nfs/dbraw/zinc/61/90/05/982619005.db2.gz UMIAPHLSDIAWAN-UONOGXRCSA-N -1 0 349.427 3.706 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)Cc1cccc(OCC=C(C)C)c1)C(=O)[O-] ZINC001594942412 982619438 /nfs/dbraw/zinc/61/94/38/982619438.db2.gz PNOJDBGABSHLDS-YJBOKZPZSA-N -1 0 347.455 3.580 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)c1cc(Cl)ccc1OC(C)C)C(=O)[O-] ZINC001594945010 982630587 /nfs/dbraw/zinc/63/05/87/982630587.db2.gz MTJGDTBICAULET-FZMZJTMJSA-N -1 0 341.835 3.746 20 0 EHADRM Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000914728801 982653486 /nfs/dbraw/zinc/65/34/86/982653486.db2.gz BLIMTSCIIWGURC-UHFFFAOYSA-N -1 0 342.301 3.772 20 0 EHADRM Cc1c(NC(=O)c2cnc3onc(C(C)C)c3c2)cccc1C(=O)[O-] ZINC000914731699 982658076 /nfs/dbraw/zinc/65/80/76/982658076.db2.gz NFCDNHFEMZLMIB-UHFFFAOYSA-N -1 0 339.351 3.605 20 0 EHADRM CCCN(C(=O)CCc1ccc(F)c2ccccc12)[C@H](C)C(=O)[O-] ZINC001595816088 982670111 /nfs/dbraw/zinc/67/01/11/982670111.db2.gz HRAFTCJNQCKISQ-CYBMUJFWSA-N -1 0 331.387 3.623 20 0 EHADRM CCCN(C(=O)Cc1ccc(C2CCCCC2)cc1)[C@@H](C)C(=O)[O-] ZINC001595820117 982684140 /nfs/dbraw/zinc/68/41/40/982684140.db2.gz BJUWCLXURUVIMO-HNNXBMFYSA-N -1 0 331.456 3.989 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2ccsc2C(F)F)CCCCC1 ZINC000923067560 982704467 /nfs/dbraw/zinc/70/44/67/982704467.db2.gz AAZQQIUWBLKAST-UHFFFAOYSA-N -1 0 331.384 3.841 20 0 EHADRM CCCc1c(C(=O)Nc2cc(C(=O)[O-])sc2C)[nH]c(C)c1C(C)=O ZINC000923090137 982716410 /nfs/dbraw/zinc/71/64/10/982716410.db2.gz LJVFHIZARZUYNO-UHFFFAOYSA-N -1 0 348.424 3.799 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)C(C)(C)c1ccc(F)cc1F ZINC000923091250 982717285 /nfs/dbraw/zinc/71/72/85/982717285.db2.gz CJSWDHSAIGIKGG-UHFFFAOYSA-N -1 0 339.363 3.949 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000923093367 982717950 /nfs/dbraw/zinc/71/79/50/982717950.db2.gz LOSHMDPMWLJAHL-VHSXEESVSA-N -1 0 337.347 3.775 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)[C@@H](C)CCOc1ccccc1 ZINC000923094791 982719776 /nfs/dbraw/zinc/71/97/76/982719776.db2.gz QCRHILKVNQTYPD-NSHDSACASA-N -1 0 333.409 3.798 20 0 EHADRM CC[C@H](C)CSCC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C ZINC001594966918 982725357 /nfs/dbraw/zinc/72/53/57/982725357.db2.gz IAOLPJSZGVONFD-BLLLJJGKSA-N -1 0 348.468 3.501 20 0 EHADRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)[C@]1(C)C=CCC1 ZINC000923105213 982727889 /nfs/dbraw/zinc/72/78/89/982727889.db2.gz OYSQZMXYSLIVAF-OAHLLOKOSA-N -1 0 338.201 3.751 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)NCCc2ccccc2C(=O)[O-])cc1 ZINC000923123512 982743379 /nfs/dbraw/zinc/74/33/79/982743379.db2.gz YZDXQOVFJDTRAC-OAHLLOKOSA-N -1 0 339.435 3.800 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)Cc1ccc(C2CCCCC2)cc1 ZINC001594974629 982745945 /nfs/dbraw/zinc/74/59/45/982745945.db2.gz JBVTZCUZOBYZNW-HNNXBMFYSA-N -1 0 331.456 3.989 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000923153686 982767918 /nfs/dbraw/zinc/76/79/18/982767918.db2.gz VNVQVFZMHDLNBE-RKDXNWHRSA-N -1 0 349.736 3.684 20 0 EHADRM O=C([O-])CCC1(NC(=O)c2ccc(-c3cnco3)cc2)CCCCC1 ZINC000923212605 982843967 /nfs/dbraw/zinc/84/39/67/982843967.db2.gz ZECGGFWCMPIIMY-UHFFFAOYSA-N -1 0 342.395 3.639 20 0 EHADRM O=C([O-])CCC1(NC(=O)Cc2cccc(C(F)F)c2)CCCCC1 ZINC000923215478 982846636 /nfs/dbraw/zinc/84/66/36/982846636.db2.gz HWVVMHLQLNUIGF-UHFFFAOYSA-N -1 0 339.382 3.851 20 0 EHADRM CCCN(Cc1ccc(F)cc1F)C(=O)c1oc(C(=O)[O-])cc1C ZINC001595889074 982920154 /nfs/dbraw/zinc/92/01/54/982920154.db2.gz XXGYPGMEZOTESL-UHFFFAOYSA-N -1 0 337.322 3.617 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2CCCc3ccccc32)cc1 ZINC001116300031 982926572 /nfs/dbraw/zinc/92/65/72/982926572.db2.gz GVTMUSHRPRXEKW-MOPGFXCFSA-N -1 0 337.419 3.747 20 0 EHADRM CC[C@H](C)Oc1ccc(NC(=O)N2CCC[C@](C)(C(=O)[O-])C2)cc1 ZINC001595008295 982928682 /nfs/dbraw/zinc/92/86/82/982928682.db2.gz NUKYYGXRBDNIKG-UGSOOPFHSA-N -1 0 334.416 3.583 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H](C)OC2CCCCCC2)cc1 ZINC001116479142 982929930 /nfs/dbraw/zinc/92/99/30/982929930.db2.gz KFPJLLXMMBWTAY-MAUKXSAKSA-N -1 0 347.455 3.755 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(NC3CCCCC3)cc2)o1 ZINC001116485420 982931050 /nfs/dbraw/zinc/93/10/50/982931050.db2.gz WJFIVIWILXSMRM-UHFFFAOYSA-N -1 0 328.368 3.975 20 0 EHADRM COc1c(C)cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C)cc2)cc1C ZINC001116917714 982936754 /nfs/dbraw/zinc/93/67/54/982936754.db2.gz NQSBYHXUKBMMLJ-KRWDZBQOSA-N -1 0 341.407 3.566 20 0 EHADRM CC[C@@H](C)c1ccc([C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C(C)C)cc1 ZINC001595010380 982939146 /nfs/dbraw/zinc/93/91/46/982939146.db2.gz PNXFPISFGMLQPT-ZSGPHXLJSA-N -1 0 347.455 3.646 20 0 EHADRM Cc1ccc(NC(=O)N2CC[C@@](C)(C(=O)[O-])C2)c(Cl)c1Cl ZINC001118029179 982941622 /nfs/dbraw/zinc/94/16/22/982941622.db2.gz QLRLRPUKVDFDDA-CQSZACIVSA-N -1 0 331.199 3.630 20 0 EHADRM CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)C(C)(C)CC(=O)[O-] ZINC001595014352 982951843 /nfs/dbraw/zinc/95/18/43/982951843.db2.gz RNIWYJBMQPJJAY-QWHCGFSZSA-N -1 0 349.427 3.571 20 0 EHADRM O=C([O-])[C@H](CNC(=O)CC1(C(F)(F)F)CC1)C1CCCCCC1 ZINC001119682639 983021260 /nfs/dbraw/zinc/02/12/60/983021260.db2.gz PTHJLKQHKCTHRJ-GFCCVEGCSA-N -1 0 335.366 3.506 20 0 EHADRM CCCOc1c(Cl)cc(/C=C(/C(=O)[O-])c2ncccn2)cc1OC ZINC001595950479 983121436 /nfs/dbraw/zinc/12/14/36/983121436.db2.gz UDSDBTNEVFWMDQ-XYOKQWHBSA-N -1 0 348.786 3.553 20 0 EHADRM CCCOc1ccc(C(C)(C)NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC001595954817 983141461 /nfs/dbraw/zinc/14/14/61/983141461.db2.gz ORXZBYJYRIBDJP-SHTZXODSSA-N -1 0 347.455 3.718 20 0 EHADRM CCCOc1ccc(C(C)(C)NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC001595955027 983143468 /nfs/dbraw/zinc/14/34/68/983143468.db2.gz WEDKNEXUAZPLSH-GJZGRUSLSA-N -1 0 347.455 3.718 20 0 EHADRM CCCOc1ccc(CNC(=O)c2ccc(C(=O)[O-])c(F)c2)c(C)c1 ZINC001595956791 983146687 /nfs/dbraw/zinc/14/66/87/983146687.db2.gz ODHHIQCGTSBCSL-UHFFFAOYSA-N -1 0 345.370 3.551 20 0 EHADRM CCCOc1ccc(NC(=O)NC2CC(CC(=O)[O-])C2)cc1Cl ZINC001595961052 983156202 /nfs/dbraw/zinc/15/62/02/983156202.db2.gz RDBZAOZRJXQGSH-UHFFFAOYSA-N -1 0 340.807 3.504 20 0 EHADRM CCCOc1ccc(NC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])cc1Cl ZINC001595961240 983157796 /nfs/dbraw/zinc/15/77/96/983157796.db2.gz WWNBUGHALXCZGJ-YPMHNXCESA-N -1 0 340.807 3.504 20 0 EHADRM CCCOc1cccc(NC(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])c1 ZINC001595969102 983189077 /nfs/dbraw/zinc/18/90/77/983189077.db2.gz LQVIWYKIYGVHEC-OAHLLOKOSA-N -1 0 348.443 3.878 20 0 EHADRM CCCOc1cccc(CC(=O)NCC2(CC(=O)[O-])CCCCC2)c1 ZINC001595969267 983189328 /nfs/dbraw/zinc/18/93/28/983189328.db2.gz OWOPGPGZWIMHGT-UHFFFAOYSA-N -1 0 347.455 3.559 20 0 EHADRM CCC[C@H](NC(=O)[C@H]1CCC(C)(C)C[C@@H]1c1ccccc1)C(=O)[O-] ZINC001596015662 983277767 /nfs/dbraw/zinc/27/77/67/983277767.db2.gz SQZPPSARPTYDDC-BBWFWOEESA-N -1 0 331.456 3.966 20 0 EHADRM CCCc1c(C(=O)N2CCC(C3CCC3)CC2)[nH]c(C)c1C(=O)[O-] ZINC001596031179 983302721 /nfs/dbraw/zinc/30/27/21/983302721.db2.gz SNFWWVMNPPVIOJ-UHFFFAOYSA-N -1 0 332.444 3.626 20 0 EHADRM CCCc1c(C(=O)NCC(C)(C)C2CCCC2)[nH]c(C)c1C(=O)[O-] ZINC001596037110 983317432 /nfs/dbraw/zinc/31/74/32/983317432.db2.gz BXOSPRONNOHLKU-UHFFFAOYSA-N -1 0 334.460 3.920 20 0 EHADRM CCCc1c(C(=O)NC[C@H]2CCC=CCCC2)[nH]c(C)c1C(=O)[O-] ZINC001596037552 983321209 /nfs/dbraw/zinc/32/12/09/983321209.db2.gz RMVYFTPOLUOTMY-AWEZNQCLSA-N -1 0 332.444 3.840 20 0 EHADRM CCCc1c(C(=O)NCc2ccc(C(C)(C)C)o2)[nH]c(C)c1C(=O)[O-] ZINC001596042619 983331057 /nfs/dbraw/zinc/33/10/57/983331057.db2.gz ZPBQARXQJHBSEX-UHFFFAOYSA-N -1 0 346.427 3.794 20 0 EHADRM CCCc1ccc(C(=O)N(Cc2ccccc2)[C@H](C)C(=O)[O-])s1 ZINC001596060326 983368160 /nfs/dbraw/zinc/36/81/60/983368160.db2.gz AZCAEGIGUPLPAU-CYBMUJFWSA-N -1 0 331.437 3.816 20 0 EHADRM CCCc1ccc(C(=O)N(C)[C@@H](C(=O)[O-])c2cccc(OC)c2)cc1 ZINC001596060532 983368904 /nfs/dbraw/zinc/36/89/04/983368904.db2.gz IFBRWADNNFZVGV-GOSISDBHSA-N -1 0 341.407 3.546 20 0 EHADRM CCCc1ccc(CCCC(=O)N[C@](C)(CC(=O)[O-])C2CC2)cc1 ZINC001596062860 983372915 /nfs/dbraw/zinc/37/29/15/983372915.db2.gz LJJAPIHGLZNUOQ-HXUWFJFHSA-N -1 0 331.456 3.721 20 0 EHADRM CCCc1sc(C(=O)Nc2cc(C)c(C(=O)[O-])cn2)cc1CC ZINC001596105737 983429795 /nfs/dbraw/zinc/42/97/95/983429795.db2.gz JBILWMZEGGEMKC-UHFFFAOYSA-N -1 0 332.425 3.917 20 0 EHADRM CCCn1nc(C)c(/C=C/c2nc(Cl)c(C(=O)[O-])s2)c1C ZINC001596120841 983456842 /nfs/dbraw/zinc/45/68/42/983456842.db2.gz HOGJZALVMFBDRZ-AATRIKPKSA-N -1 0 325.821 3.888 20 0 EHADRM CCN(C(=O)C1(Cc2ccc(F)cc2)CC1)c1ccccc1C(=O)[O-] ZINC001596131994 983480645 /nfs/dbraw/zinc/48/06/45/983480645.db2.gz YLPZRRYJHLFPOI-UHFFFAOYSA-N -1 0 341.382 3.900 20 0 EHADRM CCN(C(=O)Cc1cc(Cl)cc2ccccc21)C(C)(C)C(=O)[O-] ZINC001596143877 983498156 /nfs/dbraw/zinc/49/81/56/983498156.db2.gz XAJCWHZXXDBTCT-UHFFFAOYSA-N -1 0 333.815 3.747 20 0 EHADRM CCN(C(=O)Nc1cc(C(=O)[O-])sc1C)[C@@H](C)c1cccnc1 ZINC001596151039 983511222 /nfs/dbraw/zinc/51/12/22/983511222.db2.gz QVQMHBGVAYSNKB-JTQLQIEISA-N -1 0 333.413 3.765 20 0 EHADRM CCN(C(=O)Nc1ccc(F)c(C(=O)[O-])c1C)c1cccc(OC)c1 ZINC001596158707 983522148 /nfs/dbraw/zinc/52/21/48/983522148.db2.gz SEVRWMDBFUMJOH-UHFFFAOYSA-N -1 0 346.358 3.899 20 0 EHADRM CCN(C(=O)c1cc2c(ccc3ccccc23)o1)C(C)(C)C(=O)[O-] ZINC001596165262 983529025 /nfs/dbraw/zinc/52/90/25/983529025.db2.gz NTRYRARBDCJEAL-UHFFFAOYSA-N -1 0 325.364 3.911 20 0 EHADRM CCN(C(=O)c1ccc(C(=O)[O-])cc1F)c1ccc(Cl)cc1F ZINC001596165641 983530551 /nfs/dbraw/zinc/53/05/51/983530551.db2.gz YHQLKHGRCJGSGJ-UHFFFAOYSA-N -1 0 339.725 3.983 20 0 EHADRM CCN(C(=O)c1ncsc1C(F)(F)F)c1ccccc1C(=O)[O-] ZINC001596174468 983540645 /nfs/dbraw/zinc/54/06/45/983540645.db2.gz DUPTZKVMLZVKDI-UHFFFAOYSA-N -1 0 344.314 3.527 20 0 EHADRM CCN(C(=O)c1oc2c(cccc2F)c1C)c1ncc(C(=O)[O-])s1 ZINC001596174907 983541892 /nfs/dbraw/zinc/54/18/92/983541892.db2.gz OZXSJMWAOGBAHF-UHFFFAOYSA-N -1 0 348.355 3.702 20 0 EHADRM CCN(C)c1ccccc1CNc1nc(Cl)c(C(=O)[O-])s1 ZINC001596197625 983582332 /nfs/dbraw/zinc/58/23/32/983582332.db2.gz MNFXAIKWWILXCI-UHFFFAOYSA-N -1 0 325.821 3.563 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)[C@H]1CCC(C)(C)C[C@H]1c1ccccc1 ZINC001596305615 983733017 /nfs/dbraw/zinc/73/30/17/983733017.db2.gz JOPDIHQDHYCLFK-IRXDYDNUSA-N -1 0 331.456 3.920 20 0 EHADRM CCN(Cc1ccccc1Cl)C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001596371757 983872921 /nfs/dbraw/zinc/87/29/21/983872921.db2.gz KHHARNSUGUJFDO-UHFFFAOYSA-N -1 0 335.762 3.840 20 0 EHADRM [O-]c1cc(Br)ccc1-c1nc(Cc2ccccc2)no1 ZINC000109037000 1014986714 /nfs/dbraw/zinc/98/67/14/1014986714.db2.gz DYGOAYPKPBCSRJ-UHFFFAOYSA-N -1 0 331.169 3.796 20 0 EHADRM CCN(c1ccc(C(=O)Oc2ccc(C(=O)[O-])cc2)cc1)C(C)C ZINC001596382935 983906214 /nfs/dbraw/zinc/90/62/14/983906214.db2.gz INVHEKGVNUEZTL-UHFFFAOYSA-N -1 0 327.380 3.839 20 0 EHADRM CCNC(=O)c1ccc(C)c(N[C@@H](C)c2cc(C(=O)[O-])cs2)c1 ZINC001596480000 984209642 /nfs/dbraw/zinc/20/96/42/984209642.db2.gz MHADMZMGFLGKBT-NSHDSACASA-N -1 0 332.425 3.678 20 0 EHADRM C=COc1ccc(NC(=O)Nc2ccc(C(=O)[O-])c(OC)c2)cc1 ZINC001588913724 984556145 /nfs/dbraw/zinc/55/61/45/984556145.db2.gz KKJXRBLNAIEREQ-UHFFFAOYSA-N -1 0 328.324 3.560 20 0 EHADRM C=Cc1ccccc1NC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)cc1 ZINC001588921198 984578154 /nfs/dbraw/zinc/57/81/54/984578154.db2.gz AQVDXVDOWMVRNE-KRWDZBQOSA-N -1 0 340.379 3.676 20 0 EHADRM C/C(=C/C(=O)N(CC(=O)[O-])CC(C)C)c1cccc(C(F)(F)F)c1 ZINC001588932485 984608791 /nfs/dbraw/zinc/60/87/91/984608791.db2.gz FNYZQYLVTKOOOU-GHXNOFRVSA-N -1 0 343.345 3.678 20 0 EHADRM C/C(=C/C(=O)N1CCCc2c(C(=O)[O-])cccc21)c1cccs1 ZINC001588937667 984617813 /nfs/dbraw/zinc/61/78/13/984617813.db2.gz OQJUBICVFDXYQL-QXMHVHEDSA-N -1 0 327.405 3.829 20 0 EHADRM C/C(=C\C(=O)N1CCCC[C@@H]1c1ccc(C(=O)[O-])n1C)C(C)(C)C ZINC001588937849 984619688 /nfs/dbraw/zinc/61/96/88/984619688.db2.gz VNBYGNVCIPWHQQ-RDRICISKSA-N -1 0 332.444 3.769 20 0 EHADRM C/C(=C\C(=O)N1CCc2ccc(C(=O)[O-])cc21)c1cccc(F)c1 ZINC001588940038 984632696 /nfs/dbraw/zinc/63/26/96/984632696.db2.gz WTZKICPKUMYNSV-FMIVXFBMSA-N -1 0 325.339 3.517 20 0 EHADRM C/C(=C/C1CCC(C)CC1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001588955993 984701461 /nfs/dbraw/zinc/70/14/61/984701461.db2.gz FQHAOVLXMRRDDL-GIUQOVDBSA-N -1 0 347.430 3.710 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC001599892578 984713517 /nfs/dbraw/zinc/71/35/17/984713517.db2.gz SREHULVLJPRGTC-FOIQADDNSA-N -1 0 347.414 3.961 20 0 EHADRM CCOC(=O)c1cc(NCc2cc(C(=O)[O-])oc2C)c(F)cc1C ZINC001596709647 984919705 /nfs/dbraw/zinc/91/97/05/984919705.db2.gz DQJJVVYTUYIOEP-UHFFFAOYSA-N -1 0 335.331 3.523 20 0 EHADRM C/C(=C\c1c(Cl)cccc1Cl)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001588995939 984930013 /nfs/dbraw/zinc/93/00/13/984930013.db2.gz XCRQEMRSPCLQQM-WRSFFWLLSA-N -1 0 342.222 3.718 20 0 EHADRM C/C(=C/c1cccnc1)C(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-] ZINC001589006462 984971175 /nfs/dbraw/zinc/97/11/75/984971175.db2.gz UINRWIBPJQPPGZ-UITAMQMPSA-N -1 0 334.734 3.614 20 0 EHADRM C/C(=C/c1ccncc1)C(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-] ZINC001589010810 984983297 /nfs/dbraw/zinc/98/32/97/984983297.db2.gz JWQLPBRKVIEOOE-TWGQIWQCSA-N -1 0 334.734 3.614 20 0 EHADRM CC(=O)CCC(C)(C)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001589035654 985088119 /nfs/dbraw/zinc/08/81/19/985088119.db2.gz XECHRLISSOSJJM-UHFFFAOYSA-N -1 0 327.380 3.872 20 0 EHADRM CO[C@H](C)c1nc(=NC(=O)[C@@H](C)c2cccc(CC(C)C)c2)s[n-]1 ZINC000510103557 1015104491 /nfs/dbraw/zinc/10/44/91/1015104491.db2.gz RAXIPOVCNGFRKI-QWHCGFSZSA-N -1 0 347.484 3.608 20 0 EHADRM CCO[C@@H](C(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1)C1CCCC1 ZINC001596767795 985181295 /nfs/dbraw/zinc/18/12/95/985181295.db2.gz ZEWMGIGQGRVBNY-MRXNPFEDSA-N -1 0 334.412 3.550 20 0 EHADRM CCO[C@H](C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)c1ccccc1 ZINC001596768062 985184060 /nfs/dbraw/zinc/18/40/60/985184060.db2.gz UBIWSABXDWUYCG-KRWDZBQOSA-N -1 0 338.363 3.582 20 0 EHADRM CCO[C@H](CNC(=O)Nc1cc(C(=O)[O-])sc1C)c1ccccc1 ZINC001596792928 985286488 /nfs/dbraw/zinc/28/64/88/985286488.db2.gz YGGAANOAJYFANX-CQSZACIVSA-N -1 0 348.424 3.654 20 0 EHADRM CC(=O)NCc1ccc(N[C@@H](C)c2ccc(C(=O)[O-])cc2C)cc1 ZINC001589149987 985467660 /nfs/dbraw/zinc/46/76/60/985467660.db2.gz QDSUUCFCNUOCBH-ZDUSSCGKSA-N -1 0 326.396 3.502 20 0 EHADRM Cc1[nH]c(C(=O)NCC(C)(C)c2cccc(Cl)c2)c(C)c1C(=O)[O-] ZINC001599953727 985652882 /nfs/dbraw/zinc/65/28/82/985652882.db2.gz YOBZZTROLLIPEQ-UHFFFAOYSA-N -1 0 348.830 3.691 20 0 EHADRM C[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)C[C@H](C2CC2)O1 ZINC001594501080 985684310 /nfs/dbraw/zinc/68/43/10/985684310.db2.gz LAUHNLKXLZSZBP-XXLQHYSLSA-N -1 0 344.238 3.618 20 0 EHADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CSc1ncc(C(C)C)n1C(C)C ZINC001599961687 985793494 /nfs/dbraw/zinc/79/34/94/985793494.db2.gz VCSBFBSBQLMZNA-UHFFFAOYSA-N -1 0 349.456 3.897 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])[nH]c1NC(=O)c1coc2cc(C)c(C)cc12 ZINC001589264671 985934651 /nfs/dbraw/zinc/93/46/51/985934651.db2.gz MTKSDIGOBDMAEW-UHFFFAOYSA-N -1 0 340.335 3.531 20 0 EHADRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)Cc1ccccc1 ZINC001599971364 986011708 /nfs/dbraw/zinc/01/17/08/986011708.db2.gz PPJURSQAMWUODE-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM CC(=O)c1ccc(NC(=O)N[C@H](CC(=O)[O-])c2ccc(C)cc2)cc1 ZINC001589290087 986023821 /nfs/dbraw/zinc/02/38/21/986023821.db2.gz IBLDFWPEDPJSJJ-QGZVFWFLSA-N -1 0 340.379 3.535 20 0 EHADRM CC(=O)c1ccc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1Cl ZINC001589290141 986024527 /nfs/dbraw/zinc/02/45/27/986024527.db2.gz KTXLDQSTSUXMDH-UHFFFAOYSA-N -1 0 335.718 3.632 20 0 EHADRM Cc1c(Br)cccc1COC(=O)CC(C)(C)CC(=O)[O-] ZINC001599972707 986035451 /nfs/dbraw/zinc/03/54/51/986035451.db2.gz UIPHNTSECKVZMJ-UHFFFAOYSA-N -1 0 343.217 3.692 20 0 EHADRM C[C@H](C(=O)N(C)C(C)(C)CC(=O)[O-])c1ccccc1C(F)(F)F ZINC001589336302 986220270 /nfs/dbraw/zinc/22/02/70/986220270.db2.gz YULODMXQTNHMNT-JTQLQIEISA-N -1 0 331.334 3.521 20 0 EHADRM CCOc1c(Cl)cc(NC(=O)C[C@H](C)CC(=O)[O-])cc1Cl ZINC001596986977 986258956 /nfs/dbraw/zinc/25/89/56/986258956.db2.gz HAMMBIXXCOMBRE-QMMMGPOBSA-N -1 0 334.199 3.832 20 0 EHADRM CCOc1c(Cl)cc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1Cl ZINC001596987378 986266875 /nfs/dbraw/zinc/26/68/75/986266875.db2.gz YUXGRUSAPXDXOX-DTWKUNHWSA-N -1 0 346.210 3.832 20 0 EHADRM C[C@@H](C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21)c1ccc(F)c(F)c1 ZINC001589345580 986279102 /nfs/dbraw/zinc/27/91/02/986279102.db2.gz BXOOZIYWONCOIK-DGCLKSJQSA-N -1 0 345.345 3.673 20 0 EHADRM CCOc1c(Cl)cccc1NC(=O)NCCCCCC(=O)[O-] ZINC001596993175 986282083 /nfs/dbraw/zinc/28/20/83/986282083.db2.gz YGRATGMVMYPWHX-UHFFFAOYSA-N -1 0 328.796 3.505 20 0 EHADRM C[C@H](C(=O)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1)C1CCCC1 ZINC001589373530 986422855 /nfs/dbraw/zinc/42/28/55/986422855.db2.gz DXNLJJMLJUJREJ-IINYFYTJSA-N -1 0 343.345 3.774 20 0 EHADRM C[C@@H](C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)c1ccc2ccccc2c1 ZINC001589381840 986466756 /nfs/dbraw/zinc/46/67/56/986466756.db2.gz TWXZCFXBWCPULV-CXAGYDPISA-N -1 0 327.424 3.949 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC001597038295 986483946 /nfs/dbraw/zinc/48/39/46/986483946.db2.gz JWFSNXMSGCSQLO-UHFFFAOYSA-N -1 0 339.819 3.598 20 0 EHADRM C[C@H](C(=O)NC1(C(=O)[O-])CCCCC1)c1ccc(C(F)(F)F)cc1 ZINC001589387361 986491939 /nfs/dbraw/zinc/49/19/39/986491939.db2.gz GTFFKGKXWHRKLC-NSHDSACASA-N -1 0 343.345 3.713 20 0 EHADRM C[C@@H](C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21)C1CCCC1 ZINC001589407580 986599037 /nfs/dbraw/zinc/59/90/37/986599037.db2.gz VMBMTMNYEUAZGW-DYVFJYSZSA-N -1 0 329.440 3.747 20 0 EHADRM C[C@H]1CSc2ccccc2N1CCOc1cccc(C(=O)[O-])c1 ZINC001594612324 986608014 /nfs/dbraw/zinc/60/80/14/986608014.db2.gz JWLCZMPMTUBRAG-ZDUSSCGKSA-N -1 0 329.421 3.764 20 0 EHADRM CCOc1ccc(C[C@@H](C)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001597085091 986647842 /nfs/dbraw/zinc/64/78/42/986647842.db2.gz NJORITBPDQGGRO-GFCCVEGCSA-N -1 0 345.370 3.740 20 0 EHADRM C[C@H]1Cc2cc(NC(=O)NCCCCC3(C(=O)[O-])CCC3)ccc2O1 ZINC001594619311 986649585 /nfs/dbraw/zinc/64/95/85/986649585.db2.gz ZIQYLJMUQBYMPY-ZDUSSCGKSA-N -1 0 346.427 3.557 20 0 EHADRM C[C@@H](C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)c1ccc2ccccc2c1 ZINC001589431047 986724013 /nfs/dbraw/zinc/72/40/13/986724013.db2.gz WETBLSQKSQRUMH-MEOWALLASA-N -1 0 337.419 3.559 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(CC(=O)[O-])c(F)c1)c1ccc(Cl)s1 ZINC001589436295 986751495 /nfs/dbraw/zinc/75/14/95/986751495.db2.gz SQOWISAFVKLTRH-MRVPVSSYSA-N -1 0 341.791 3.910 20 0 EHADRM C[C@H](C(=O)Nc1cccc(CCC(=O)[O-])c1)c1c(F)cccc1F ZINC001589439242 986772782 /nfs/dbraw/zinc/77/27/82/986772782.db2.gz GVAUASGPHAVGLA-NSHDSACASA-N -1 0 333.334 3.724 20 0 EHADRM C[C@@H](C(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1)C(F)(F)F ZINC001589443544 986789290 /nfs/dbraw/zinc/78/92/90/986789290.db2.gz CPLIBYLZNFPAEA-LURJTMIESA-N -1 0 336.335 3.636 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cc2ccccc2cc1O)c1ccccc1 ZINC001589462806 986921053 /nfs/dbraw/zinc/92/10/53/986921053.db2.gz UXTZCGSSZIHUTI-YJYMSZOUSA-N -1 0 349.386 3.737 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NCc1c(Cl)cncc1Cl)c1ccccc1 ZINC001589469628 986945156 /nfs/dbraw/zinc/94/51/56/986945156.db2.gz WJAWGQZGVXFEEG-BONVTDFDSA-N -1 0 339.222 3.940 20 0 EHADRM C[C@@H]1Sc2ccccc2N(C(=O)/C=C\c2ccc(C(=O)[O-])o2)[C@H]1C ZINC001594666192 986963253 /nfs/dbraw/zinc/96/32/53/986963253.db2.gz QQONWSLIJQAIDV-RVWWTBQBSA-N -1 0 343.404 3.907 20 0 EHADRM C[C@H]1c2ccccc2OCCN1C(=O)NCCCCCCCC(=O)[O-] ZINC001594667720 986972987 /nfs/dbraw/zinc/97/29/87/986972987.db2.gz OEQBYIMDBLGSFA-HNNXBMFYSA-N -1 0 348.443 3.577 20 0 EHADRM CCOc1cccc2[nH]cc(CC(=O)Nc3sccc3C(=O)[O-])c21 ZINC001597164793 986981199 /nfs/dbraw/zinc/98/11/99/986981199.db2.gz HTTWXEYGTXAEPK-UHFFFAOYSA-N -1 0 344.392 3.508 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)c1nc2ccccc2cc1C1CC1)C1CCC1 ZINC001589478110 986990304 /nfs/dbraw/zinc/99/03/04/986990304.db2.gz GUGWHFIVYHJIRI-LBPRGKRZSA-N -1 0 338.407 3.580 20 0 EHADRM CCOc1ccccc1CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001597172352 987002885 /nfs/dbraw/zinc/00/28/85/987002885.db2.gz HWPSPGYOLOTTSS-UHFFFAOYSA-N -1 0 346.358 3.553 20 0 EHADRM C/C=C(\CC)C(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001594677280 987013950 /nfs/dbraw/zinc/01/39/50/987013950.db2.gz YYBDUBYXZMSBFE-BCFOUKGLSA-N -1 0 330.211 3.766 20 0 EHADRM C/C=C\C[C@@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC001594686085 987060709 /nfs/dbraw/zinc/06/07/09/987060709.db2.gz MRZNZPLEPROYMJ-OTDNITJGSA-N -1 0 338.354 3.873 20 0 EHADRM CC/C(=C\C(=O)N[C@H](C(=O)[O-])c1ccsc1)c1ccc(C)cc1 ZINC001594690643 987081818 /nfs/dbraw/zinc/08/18/18/987081818.db2.gz GAJCPDFUXYFHDK-RTGRKSDTSA-N -1 0 329.421 3.792 20 0 EHADRM CC/C(=C\C(=O)N[C@H](CC(=O)[O-])C1CCCC1)c1ccc(OC)cc1 ZINC001594691033 987087200 /nfs/dbraw/zinc/08/72/00/987087200.db2.gz OEBQFNJHTMRYRD-QIXNEVBVSA-N -1 0 345.439 3.638 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@@H](O)C2CCCCCCC2)cc1 ZINC001589504514 987114568 /nfs/dbraw/zinc/11/45/68/987114568.db2.gz QYUXQLCCRSKIFS-GUYCJALGSA-N -1 0 333.428 3.535 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cc(Cl)c(Cl)[nH]2)c1 ZINC001589531398 987202743 /nfs/dbraw/zinc/20/27/43/987202743.db2.gz FJXVIIKXZLEGMA-SSDOTTSWSA-N -1 0 327.167 3.762 20 0 EHADRM CC[C@@H](C(=O)N(C)c1ccccc1C(=O)[O-])c1ccc(OC)cc1 ZINC001594724822 987222391 /nfs/dbraw/zinc/22/23/91/987222391.db2.gz CWBWDSSEKTZJRM-OAHLLOKOSA-N -1 0 327.380 3.550 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)CCOc2cccc(Cl)c2)c1 ZINC001589534578 987231000 /nfs/dbraw/zinc/23/10/00/987231000.db2.gz ZERMETRQQRGWBU-GFCCVEGCSA-N -1 0 347.798 3.936 20 0 EHADRM CC[C@H](C(=O)N[C@](C)(CC)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001594728533 987234724 /nfs/dbraw/zinc/23/47/24/987234724.db2.gz GNAIDYXDYQLSTG-XJKSGUPXSA-N -1 0 345.361 3.959 20 0 EHADRM CC[C@@H](C(=O)N1CCc2ccc(C(=O)[O-])cc21)c1ccc(F)cc1 ZINC001594728535 987234759 /nfs/dbraw/zinc/23/47/59/987234759.db2.gz GNFPDDDBICVKOX-MRXNPFEDSA-N -1 0 327.355 3.607 20 0 EHADRM CC[C@H](C(=O)N[C@H](CC1CC1)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001594729082 987239131 /nfs/dbraw/zinc/23/91/31/987239131.db2.gz MOEYDJCXHLWLQS-UONOGXRCSA-N -1 0 343.345 3.569 20 0 EHADRM C[C@@H](C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1)C(C)(F)F ZINC001589540485 987244137 /nfs/dbraw/zinc/24/41/37/987244137.db2.gz KSOATYMTKBWPRN-WKEGUHRASA-N -1 0 341.137 3.954 20 0 EHADRM C[C@H](C(=O)O[C@@H](Cc1ccccc1)C(=O)[O-])c1ccc(Cl)s1 ZINC001589540756 987247555 /nfs/dbraw/zinc/24/75/55/987247555.db2.gz QXMLQQMHBSYGDJ-JQWIXIFHSA-N -1 0 338.812 3.744 20 0 EHADRM CCS[C@@H]1CCC[C@H](NC(=O)Nc2ccc(C(=O)[O-])s2)C1 ZINC001597256284 987258041 /nfs/dbraw/zinc/25/80/41/987258041.db2.gz JRIXTGLHAIIIDL-VHSXEESVSA-N -1 0 328.459 3.632 20 0 EHADRM CC[C@@H](C(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001594736167 987275146 /nfs/dbraw/zinc/27/51/46/987275146.db2.gz KPHONQMKHBIAKM-HZSPNIEDSA-N -1 0 343.345 3.569 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)Nc2cncc(C(=O)[O-])c2)cc1 ZINC001597271040 987316533 /nfs/dbraw/zinc/31/65/33/987316533.db2.gz QXOYAFGSAFRQHE-NSHDSACASA-N -1 0 345.424 3.775 20 0 EHADRM CCSc1ccc(CC(=O)OCc2cc(C(=O)[O-])c(C)o2)cc1 ZINC001597272480 987321654 /nfs/dbraw/zinc/32/16/54/987321654.db2.gz HVTMZYOCQVHLNG-UHFFFAOYSA-N -1 0 334.393 3.684 20 0 EHADRM CCSc1cccnc1C(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC001597279216 987339937 /nfs/dbraw/zinc/33/99/37/987339937.db2.gz DSHDJAHVCVZLRW-JTQLQIEISA-N -1 0 335.381 3.711 20 0 EHADRM CCSc1ccccc1CC(=O)Oc1ccc(C(=O)[O-])cc1OC ZINC001597279165 987340096 /nfs/dbraw/zinc/34/00/96/987340096.db2.gz FMRFYVNCYDPPBT-UHFFFAOYSA-N -1 0 346.404 3.654 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccc(F)cc1 ZINC001597288356 987370253 /nfs/dbraw/zinc/37/02/53/987370253.db2.gz FNRDWCNGKNEXFK-MRXNPFEDSA-N -1 0 330.359 3.726 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)NCC12CCC(CC1)C2)c1ccccc1 ZINC001589594811 987412179 /nfs/dbraw/zinc/41/21/79/987412179.db2.gz SBQQNUDSQPAMHH-CZDRUDQFSA-N -1 0 344.455 3.718 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1cc(N)ccc1Cl)c1ccccc1 ZINC001589598260 987418863 /nfs/dbraw/zinc/41/88/63/987418863.db2.gz IDEKLMDFHMCENW-OAHLLOKOSA-N -1 0 346.814 3.504 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)CCC[C@@H](C)c1cccc(OC)c1)C(=O)[O-] ZINC001597315309 987438711 /nfs/dbraw/zinc/43/87/11/987438711.db2.gz AERGIRJRVWIGTD-IYOUNJFTSA-N -1 0 335.444 3.585 20 0 EHADRM CC(C)(C(=O)[O-])N(Cc1ccccc1)C(=O)/C=C/c1ccccc1F ZINC001589617274 987491307 /nfs/dbraw/zinc/49/13/07/987491307.db2.gz YRIWSBQYDMGHHD-OUKQBFOZSA-N -1 0 341.382 3.731 20 0 EHADRM CCc1[nH]c(C(=O)N[C@H](C)[C@@H]2CC3CCC2CC3)c(C)c1C(=O)[O-] ZINC001597364588 987534728 /nfs/dbraw/zinc/53/47/28/987534728.db2.gz WLBDVFWUWAHVOX-RYSNWHEDSA-N -1 0 332.444 3.528 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2c(Cl)n[nH]c2C2CC2)cc1 ZINC001589638568 987560814 /nfs/dbraw/zinc/56/08/14/987560814.db2.gz LSYXJZZGHGPVCP-UHFFFAOYSA-N -1 0 347.802 3.555 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(NC(=O)C/C=C\c2ccc(F)cc2)n1 ZINC001589648822 987583047 /nfs/dbraw/zinc/58/30/47/987583047.db2.gz CWDQOPRNVRDKSN-ARJAWSKDSA-N -1 0 348.399 3.686 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)C[C@H]2CCC3(CCC3)CO2)c1 ZINC001589650668 987599217 /nfs/dbraw/zinc/59/92/17/987599217.db2.gz NDGYZSSASLSFJO-OAHLLOKOSA-N -1 0 346.423 3.694 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(NC(=O)c2coc3cc(F)ccc32)n1 ZINC001589656897 987624346 /nfs/dbraw/zinc/62/43/46/987624346.db2.gz CYHZSKQKXYVECI-UHFFFAOYSA-N -1 0 348.355 3.643 20 0 EHADRM CC(C)(C(=O)OCc1coc(-c2ccc(C(=O)[O-])cc2)n1)C1CCC1 ZINC001589680770 987706459 /nfs/dbraw/zinc/70/64/59/987706459.db2.gz FKLVTZXSTPXDSC-UHFFFAOYSA-N -1 0 343.379 3.909 20 0 EHADRM CC(C)(C(=O)OCc1nc(C(=O)[O-])cs1)c1ccccc1Cl ZINC001589681492 987712456 /nfs/dbraw/zinc/71/24/56/987712456.db2.gz UIMZMPYRQACARL-UHFFFAOYSA-N -1 0 339.800 3.516 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)[C@@H](c1ccncc1)C1CCCCC1 ZINC001589700436 987791083 /nfs/dbraw/zinc/79/10/83/987791083.db2.gz LMTMNUUCTKAECL-FUHWJXTLSA-N -1 0 346.471 3.751 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)/C=C/c1csc(C(F)(F)F)c1 ZINC001589701366 987796750 /nfs/dbraw/zinc/79/67/50/987796750.db2.gz YLTBMOMPMGIQLA-ORAHPGNNSA-N -1 0 349.374 3.786 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)C(F)(F)c2ccccc2)s1 ZINC001597441032 987801955 /nfs/dbraw/zinc/80/19/55/987801955.db2.gz MTEOXULLXFCEJB-UHFFFAOYSA-N -1 0 325.336 3.739 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)c1ccc(Oc2ccccc2)o1 ZINC001589704229 987808773 /nfs/dbraw/zinc/80/87/73/987808773.db2.gz GEFJGBPNRJWLPR-CQSZACIVSA-N -1 0 331.368 3.691 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)N2CCC(F)(F)[C@H](C)C2)s1 ZINC001597443682 987810755 /nfs/dbraw/zinc/81/07/55/987810755.db2.gz SBPWANNZPNVQIY-MRVPVSSYSA-N -1 0 332.372 3.518 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)C(C)(C)c1ccccc1OC ZINC001597446578 987824258 /nfs/dbraw/zinc/82/42/58/987824258.db2.gz JEDXHHLHHYPIAR-UHFFFAOYSA-N -1 0 341.407 3.872 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)CCCCC(=O)OC(C)(C)C ZINC001597449427 987832778 /nfs/dbraw/zinc/83/27/78/987832778.db2.gz CSLPFHPBTPWPBR-UHFFFAOYSA-N -1 0 349.427 3.788 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCCC[C@@H]1[C@H]1CCCO1 ZINC001597451824 987844563 /nfs/dbraw/zinc/84/45/63/987844563.db2.gz AOCLANLXQWXBNP-IAGOWNOFSA-N -1 0 346.427 3.513 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N(C)Cc1cccc(F)c1 ZINC001597451845 987844613 /nfs/dbraw/zinc/84/46/13/987844613.db2.gz ARTOLAGYMPBHRG-UHFFFAOYSA-N -1 0 330.359 3.750 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCCC[C@H]1[C@@H]1CCCO1 ZINC001597451825 987844745 /nfs/dbraw/zinc/84/47/45/987844745.db2.gz AOCLANLXQWXBNP-IRXDYDNUSA-N -1 0 346.427 3.513 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCc2ccc(F)cc2C1 ZINC001597456451 987861175 /nfs/dbraw/zinc/86/11/75/987861175.db2.gz CZNIUSKGMURFLO-UHFFFAOYSA-N -1 0 342.370 3.677 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@H]1CCO[C@@H](CC(C)C)C1 ZINC001597456929 987867617 /nfs/dbraw/zinc/86/76/17/987867617.db2.gz FGTXOBGEHPOPCM-HOTGVXAUSA-N -1 0 348.443 3.662 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@H]1c2ccccc2O[C@@H]1C ZINC001597456976 987868475 /nfs/dbraw/zinc/86/84/75/987868475.db2.gz GOBKKOJXCOFYJN-PIGZYNQJSA-N -1 0 340.379 3.591 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCc1ccc(F)c(C)c1 ZINC001597458097 987880573 /nfs/dbraw/zinc/88/05/73/987880573.db2.gz CDTAIHCPZOFRDY-UHFFFAOYSA-N -1 0 330.359 3.716 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCCc1ccc(Cl)cc1 ZINC001597458106 987880695 /nfs/dbraw/zinc/88/06/95/987880695.db2.gz CNICHNNNNZUREC-UHFFFAOYSA-N -1 0 346.814 3.965 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1C[C@H]1c1ccccc1C ZINC001597464391 987897061 /nfs/dbraw/zinc/89/70/61/987897061.db2.gz JNUSWCBRPJQYGR-FUHWJXTLSA-N -1 0 338.407 3.933 20 0 EHADRM CC(C)(C)C1CCC(=CC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)CC1 ZINC001589726432 987908041 /nfs/dbraw/zinc/90/80/41/987908041.db2.gz KWWSLMDODWVTEW-LQGBDCMISA-N -1 0 333.472 3.862 20 0 EHADRM CCc1c(C(=O)Nc2ccc(C(=O)[O-])cc2CC)cnn1C(C)(C)C ZINC001597466486 987914282 /nfs/dbraw/zinc/91/42/82/987914282.db2.gz VRAGNIMDJMZBSN-UHFFFAOYSA-N -1 0 343.427 3.713 20 0 EHADRM CC(C)(C)C1=CCN(c2cc(C(F)(F)F)c(C(=O)[O-])cn2)CC1 ZINC001589727159 987921246 /nfs/dbraw/zinc/92/12/46/987921246.db2.gz ZTTRFIORCBXIND-UHFFFAOYSA-N -1 0 328.334 3.981 20 0 EHADRM CS[C@@H]1CC[C@H](N(C)C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)C1 ZINC001599787365 987945887 /nfs/dbraw/zinc/94/58/87/987945887.db2.gz CNQYHHXALVOPHR-NWDGAFQWSA-N -1 0 347.440 3.614 20 0 EHADRM CS[C@H]1CCCCN(C(=O)Nc2c(C)sc(C)c2C(=O)[O-])C1 ZINC001599789044 987975864 /nfs/dbraw/zinc/97/58/64/987975864.db2.gz NVCZCSSUZOAKPA-NSHDSACASA-N -1 0 342.486 3.813 20 0 EHADRM CS[C@@H]1CCN(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)C1 ZINC001599790798 988004506 /nfs/dbraw/zinc/00/45/06/988004506.db2.gz LVRFZOARSYPSPD-LLVKDONJSA-N -1 0 336.438 3.569 20 0 EHADRM CCc1ccc(-c2cc(C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])no2)cc1 ZINC001597489245 988010041 /nfs/dbraw/zinc/01/00/41/988010041.db2.gz FLUHRCCEWMKPDR-HNNXBMFYSA-N -1 0 344.411 3.523 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)CCSc1cccc(Cl)c1)C(=O)[O-] ZINC001589743468 988026729 /nfs/dbraw/zinc/02/67/29/988026729.db2.gz OLMJKIZQISMEAJ-CYBMUJFWSA-N -1 0 343.876 3.828 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1)C(=O)[O-] ZINC001589743417 988027039 /nfs/dbraw/zinc/02/70/39/988027039.db2.gz NGAPCGJSRTXKBV-ZACQAIPSSA-N -1 0 331.456 3.651 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N3CC[C@H](C)C[C@H]3C(=O)[O-])o2)cc1 ZINC001597492782 988032745 /nfs/dbraw/zinc/03/27/45/988032745.db2.gz WHNLATLMWGQYOH-BBRMVZONSA-N -1 0 341.407 3.834 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)CCc1cccc2ccccc21)C(=O)[O-] ZINC001589745380 988038330 /nfs/dbraw/zinc/03/83/30/988038330.db2.gz HRPZVCTUCAZVGC-KRWDZBQOSA-N -1 0 327.424 3.778 20 0 EHADRM CCc1ccc(C(=O)NC2(C(=O)[O-])CCC(CC)CC2)cc1CC ZINC001597500222 988053962 /nfs/dbraw/zinc/05/39/62/988053962.db2.gz GTSFKKPGCDCAKP-UHFFFAOYSA-N -1 0 331.456 3.965 20 0 EHADRM CCc1ccc(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc1CC ZINC001597500880 988061090 /nfs/dbraw/zinc/06/10/90/988061090.db2.gz ZYTABFCDPQHIIP-YLJYHZDGSA-N -1 0 329.440 3.528 20 0 EHADRM CCc1ccc(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)cc1CC ZINC001597503586 988072116 /nfs/dbraw/zinc/07/21/16/988072116.db2.gz RYNYBDZQPRHSDI-UHFFFAOYSA-N -1 0 337.379 3.638 20 0 EHADRM CCc1ccc(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1CC ZINC001597503390 988072197 /nfs/dbraw/zinc/07/21/97/988072197.db2.gz RJBAGZCVVNYRSO-UHFFFAOYSA-N -1 0 329.371 3.830 20 0 EHADRM CCc1ccc(C(C)(C)C(=O)Nc2ccc(C(=O)[O-])c(OC)c2)cc1 ZINC001597509051 988089570 /nfs/dbraw/zinc/08/95/70/988089570.db2.gz WDBYAYAHMLOJGC-UHFFFAOYSA-N -1 0 341.407 3.872 20 0 EHADRM CSCC[C@H](C)N(C)C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001599795496 988090570 /nfs/dbraw/zinc/09/05/70/988090570.db2.gz QERBGVXXJPRBMX-OLZOCXBDSA-N -1 0 338.473 3.555 20 0 EHADRM CC(C)(C)C[C@@H]1CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)C1(C)C ZINC001589764202 988097996 /nfs/dbraw/zinc/09/79/96/988097996.db2.gz BBNNAOGAXKRWJT-HNNXBMFYSA-N -1 0 347.455 3.827 20 0 EHADRM CC(C)(C)CCCCC(=O)N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001589771960 988127884 /nfs/dbraw/zinc/12/78/84/988127884.db2.gz QZDPEPWRBYBGHE-NWDGAFQWSA-N -1 0 337.382 3.705 20 0 EHADRM CSCC[C@@H](OC(=O)c1cn(CC(C)C)c2ccccc12)C(=O)[O-] ZINC001599798063 988130299 /nfs/dbraw/zinc/13/02/99/988130299.db2.gz WRKITJMTCXOMCA-MRXNPFEDSA-N -1 0 349.452 3.660 20 0 EHADRM CC(C)(C)CCN(CCc1ccccc1)c1ccc(C(=O)[O-])nn1 ZINC001589774479 988134218 /nfs/dbraw/zinc/13/42/18/988134218.db2.gz PRVOQLGRQACQQR-UHFFFAOYSA-N -1 0 327.428 3.660 20 0 EHADRM CSCC[C@@H](OC(=O)c1ccc2c(c1)Cc1ccccc1-2)C(=O)[O-] ZINC001599798364 988134957 /nfs/dbraw/zinc/13/49/57/988134957.db2.gz NGEAUNXJYRJKGK-QGZVFWFLSA-N -1 0 342.416 3.621 20 0 EHADRM CCc1ccc(CC(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)nc1 ZINC001597521240 988154628 /nfs/dbraw/zinc/15/46/28/988154628.db2.gz KSXPRTURWOQLOY-UHFFFAOYSA-N -1 0 340.404 3.738 20 0 EHADRM CC(C)(C)CN(Cc1ccccc1)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001589780957 988158402 /nfs/dbraw/zinc/15/84/02/988158402.db2.gz UGQUPNJDQBBCPX-KRWDZBQOSA-N -1 0 346.471 3.745 20 0 EHADRM CSCc1ccc(-c2noc(-c3cccc(C(=O)[O-])c3)n2)cc1 ZINC001599802687 988203729 /nfs/dbraw/zinc/20/37/29/988203729.db2.gz VHHDAGHMGDICTQ-UHFFFAOYSA-N -1 0 326.377 3.965 20 0 EHADRM CCc1ccc(NC(=O)C(F)(F)c2ccccc2OC)c(C(=O)[O-])c1 ZINC001597542770 988233922 /nfs/dbraw/zinc/23/39/22/988233922.db2.gz KCEXXMFCAMDHSN-UHFFFAOYSA-N -1 0 349.333 3.686 20 0 EHADRM CCc1ccc(NC(=O)[C@H]2Cc3ccc(C)cc3S2)c(C(=O)[O-])c1 ZINC001597543033 988236466 /nfs/dbraw/zinc/23/64/66/988236466.db2.gz PQNIOSYALSPZFZ-QGZVFWFLSA-N -1 0 341.432 3.911 20 0 EHADRM CCc1ccc(NC(=O)[C@@H](C)OCc2ccc(C)cc2)c(C(=O)[O-])c1 ZINC001597543238 988240446 /nfs/dbraw/zinc/24/04/46/988240446.db2.gz XTSQFEYECKPITB-CQSZACIVSA-N -1 0 341.407 3.799 20 0 EHADRM CCc1ccc(NC(=O)N2CCC[C@@]3(CC3(F)F)C2)c(C(=O)[O-])c1 ZINC001597546534 988251272 /nfs/dbraw/zinc/25/12/72/988251272.db2.gz ACKDIMNRJQZQDL-MRXNPFEDSA-N -1 0 338.354 3.600 20 0 EHADRM CSc1c(F)cc(NC(=O)c2ccc(/C=C\C(=O)[O-])o2)cc1F ZINC001599805885 988255139 /nfs/dbraw/zinc/25/51/39/988255139.db2.gz BNQVBWKPGWNACT-HYXAFXHYSA-N -1 0 339.319 3.630 20 0 EHADRM CSc1c(F)cc(NC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)cc1F ZINC001599805931 988256312 /nfs/dbraw/zinc/25/63/12/988256312.db2.gz DMAPCVUWKAIGSA-UHFFFAOYSA-N -1 0 340.351 3.582 20 0 EHADRM CSc1c(F)cccc1C(=O)N[C@H](CC(=O)[O-])c1cccc(C)c1 ZINC001599806224 988260644 /nfs/dbraw/zinc/26/06/44/988260644.db2.gz QRBKFJUWQZRMTD-OAHLLOKOSA-N -1 0 347.411 3.802 20 0 EHADRM CCc1ccc(OC(=O)c2cc(C(=O)[O-])ccc2Cl)c(OC)c1 ZINC001597555967 988284349 /nfs/dbraw/zinc/28/43/49/988284349.db2.gz DNJBZGPRFYDEDV-UHFFFAOYSA-N -1 0 334.755 3.828 20 0 EHADRM CSc1cc(F)ccc1NC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001599808685 988297743 /nfs/dbraw/zinc/29/77/43/988297743.db2.gz LPHYPATZGICSHW-UHFFFAOYSA-N -1 0 340.401 3.629 20 0 EHADRM CSc1cc(F)ccc1NC(=O)N[C@H](CC(=O)[O-])C(C)(C)C ZINC001599809121 988303121 /nfs/dbraw/zinc/30/31/21/988303121.db2.gz SUHXJBUFYWTRHP-GFCCVEGCSA-N -1 0 328.409 3.559 20 0 EHADRM CCc1ccc2c(c1)[C@H](N[C@@H](C)c1ncc(C(=O)[O-])s1)CCO2 ZINC001597569620 988338235 /nfs/dbraw/zinc/33/82/35/988338235.db2.gz YANVPZAUABEMBX-GXFFZTMASA-N -1 0 332.425 3.578 20 0 EHADRM CCc1cccc(C(=O)Nc2cccc3cc(C(=O)[O-])sc32)n1 ZINC001597575667 988361594 /nfs/dbraw/zinc/36/15/94/988361594.db2.gz CHRUIODVYWFRLH-UHFFFAOYSA-N -1 0 326.377 3.809 20 0 EHADRM CSc1ccc(C)c(NC(=O)CCc2ccccc2C(=O)[O-])c1 ZINC001599812872 988368452 /nfs/dbraw/zinc/36/84/52/988368452.db2.gz QISBERWRLWIJKX-UHFFFAOYSA-N -1 0 329.421 3.986 20 0 EHADRM CCc1cccc(CC)c1Nc1nnc(S[C@@H](C)C(=O)[O-])s1 ZINC001597585119 988393382 /nfs/dbraw/zinc/39/33/82/988393382.db2.gz KGUPOOXMPBCTAM-VIFPVBQESA-N -1 0 337.470 3.972 20 0 EHADRM CCc1cccc(CC(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)c1 ZINC001597585580 988397614 /nfs/dbraw/zinc/39/76/14/988397614.db2.gz SBUNXVFWRGPURC-UHFFFAOYSA-N -1 0 346.452 3.882 20 0 EHADRM CSc1ccc(NC(=O)[C@H](C)c2ccccc2F)cc1C(=O)[O-] ZINC001599816031 988426058 /nfs/dbraw/zinc/42/60/58/988426058.db2.gz MOEZAYXWZHFMPN-SNVBAGLBSA-N -1 0 333.384 3.988 20 0 EHADRM CC(C)(C)OC(=O)[C@H]1CCN(CCCCC(=O)[O-])c2ccccc21 ZINC001589860213 988426958 /nfs/dbraw/zinc/42/69/58/988426958.db2.gz MXLRWFWFEQJPCD-HNNXBMFYSA-N -1 0 333.428 3.577 20 0 EHADRM CSc1ccc(NC(=O)/C=C\c2ccc(Cl)nc2)cc1C(=O)[O-] ZINC001599816256 988429612 /nfs/dbraw/zinc/42/96/12/988429612.db2.gz SBVVIMCJMZAOAU-CLTKARDFSA-N -1 0 348.811 3.807 20 0 EHADRM CSc1ccc(NC(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1C(=O)[O-] ZINC001599816332 988430552 /nfs/dbraw/zinc/43/05/52/988430552.db2.gz DDICKUPGLDUKQF-FZMZJTMJSA-N -1 0 334.441 3.903 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NS(=O)(=O)Cc1cc(C)cc(C)c1 ZINC001597594785 988434150 /nfs/dbraw/zinc/43/41/50/988434150.db2.gz UMZXRKKFXMIRDZ-UHFFFAOYSA-N -1 0 347.436 3.506 20 0 EHADRM CSc1ccc(NC(=O)C23CC(C(F)(F)F)(C2)C3)cc1C(=O)[O-] ZINC001599816484 988435215 /nfs/dbraw/zinc/43/52/15/988435215.db2.gz XZFIZDRREZLCAX-UHFFFAOYSA-N -1 0 345.342 3.778 20 0 EHADRM CCc1cccc(NC(=O)CSCc2ccccc2C(=O)[O-])c1 ZINC001597595003 988437013 /nfs/dbraw/zinc/43/70/13/988437013.db2.gz FFAFUIUUKRYGMC-UHFFFAOYSA-N -1 0 329.421 3.819 20 0 EHADRM CSc1ccc(NC(=O)c2cc(C)cnc2Cl)cc1C(=O)[O-] ZINC001599816931 988443174 /nfs/dbraw/zinc/44/31/74/988443174.db2.gz GAINTSRGCKMUHC-UHFFFAOYSA-N -1 0 336.800 3.716 20 0 EHADRM CSc1ccc(NC(=O)NCC2CCC(F)CC2)cc1C(=O)[O-] ZINC001599818386 988467679 /nfs/dbraw/zinc/46/76/79/988467679.db2.gz FFBGVNYUHLRKAV-UHFFFAOYSA-N -1 0 340.420 3.757 20 0 EHADRM CCc1cccc2c1OCC[C@H]2NCc1ccc(C(=O)[O-])cc1F ZINC001597603743 988472255 /nfs/dbraw/zinc/47/22/55/988472255.db2.gz RDXZJTDBBCCEPJ-QGZVFWFLSA-N -1 0 329.371 3.700 20 0 EHADRM CCc1cccc2c1OCC[C@@H]2NCc1ccc(C(=O)[O-])cc1F ZINC001597603742 988472467 /nfs/dbraw/zinc/47/24/67/988472467.db2.gz RDXZJTDBBCCEPJ-KRWDZBQOSA-N -1 0 329.371 3.700 20 0 EHADRM CCc1ccccc1OCCC(=O)N(CC(C)C)CC(C)(C)C(=O)[O-] ZINC001597616218 988537961 /nfs/dbraw/zinc/53/79/61/988537961.db2.gz JKCQDUYHOXTZAM-UHFFFAOYSA-N -1 0 349.471 3.613 20 0 EHADRM CCc1ccccc1OCCc1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC001597617130 988541463 /nfs/dbraw/zinc/54/14/63/988541463.db2.gz UFCCIZZTAGCKER-UHFFFAOYSA-N -1 0 338.363 3.619 20 0 EHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)O[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001597621972 988555691 /nfs/dbraw/zinc/55/56/91/988555691.db2.gz UHNADYYHHVRXBA-KNXALSJPSA-N -1 0 328.364 3.948 20 0 EHADRM CCc1cccnc1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1Cl ZINC001597622136 988556812 /nfs/dbraw/zinc/55/68/12/988556812.db2.gz OLORMUHITVVZAE-UHFFFAOYSA-N -1 0 339.178 3.901 20 0 EHADRM CSc1ccccc1CC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001599824344 988571625 /nfs/dbraw/zinc/57/16/25/988571625.db2.gz ZBTXJLKZLUTMFN-UHFFFAOYSA-N -1 0 335.812 3.941 20 0 EHADRM CSc1ccccc1NC(=O)[C@@H](C)SCC(C)(C)C(=O)[O-] ZINC001599825449 988590544 /nfs/dbraw/zinc/59/05/44/988590544.db2.gz ZLNMHIQIOBYENC-SNVBAGLBSA-N -1 0 327.471 3.580 20 0 EHADRM CSc1ccccc1NC(=O)[C@H](C)SCC(C)(C)C(=O)[O-] ZINC001599825448 988590621 /nfs/dbraw/zinc/59/06/21/988590621.db2.gz ZLNMHIQIOBYENC-JTQLQIEISA-N -1 0 327.471 3.580 20 0 EHADRM CCc1nc(C)c(C(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)s1 ZINC001597656909 988713659 /nfs/dbraw/zinc/71/36/59/988713659.db2.gz HNCREBPYMJKKRW-UHFFFAOYSA-N -1 0 325.773 3.585 20 0 EHADRM CCc1nc(C)ccc1OCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001597664024 988745879 /nfs/dbraw/zinc/74/58/79/988745879.db2.gz WPDXIRDGEXUFLP-UHFFFAOYSA-N -1 0 338.363 3.885 20 0 EHADRM C[C@@H](NC(=O)C1(c2ccc(C(C)(C)C)cc2)CCCCC1)C(=O)[O-] ZINC001599837453 988767315 /nfs/dbraw/zinc/76/73/15/988767315.db2.gz IMPUHVWOCZIYDV-CQSZACIVSA-N -1 0 331.456 3.775 20 0 EHADRM C[C@@H](NC(=O)NCc1ccc(CC(=O)[O-])cc1)c1ccccc1Cl ZINC001599840149 988812182 /nfs/dbraw/zinc/81/21/82/988812182.db2.gz GZRRHMNXPIPALP-GFCCVEGCSA-N -1 0 346.814 3.528 20 0 EHADRM CCc1nc(NC(=O)c2c(F)ccc(F)c2Cl)sc1C(=O)[O-] ZINC001597682168 988820174 /nfs/dbraw/zinc/82/01/74/988820174.db2.gz SJWZGAYEHQKCNO-UHFFFAOYSA-N -1 0 346.742 3.588 20 0 EHADRM CCc1nn(C)cc1NCc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001597723560 989010587 /nfs/dbraw/zinc/01/05/87/989010587.db2.gz LPOQGLZDBYJATF-UHFFFAOYSA-N -1 0 325.368 3.553 20 0 EHADRM C[C@@H]1CN(C(=O)NCC2CC(C)(C)CC(C)(C)C2)C[C@H]1CC(=O)[O-] ZINC001599856884 989103084 /nfs/dbraw/zinc/10/30/84/989103084.db2.gz WSZIKOKGCYEEDC-UKRRQHHQSA-N -1 0 338.492 3.591 20 0 EHADRM CCc1oc(-c2nc3ccccc3n2[C@H](C)COC)cc1C(=O)[O-] ZINC001597761139 989186954 /nfs/dbraw/zinc/18/69/54/989186954.db2.gz XAVGRTBREWGMQT-LLVKDONJSA-N -1 0 328.368 3.764 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1ccccc1C(=O)N(C)C(C)C ZINC001597767957 989227441 /nfs/dbraw/zinc/22/74/41/989227441.db2.gz XXOJKPLYWVJRJP-UHFFFAOYSA-N -1 0 344.411 3.633 20 0 EHADRM CCc1oc2ccccc2c1C(=O)Nc1cccc(C(=O)[O-])c1OC ZINC001597807736 989420698 /nfs/dbraw/zinc/42/06/98/989420698.db2.gz IATGWZJHJJUHPJ-UHFFFAOYSA-N -1 0 339.347 3.954 20 0 EHADRM CCn1cc(CC(=O)Nc2cc(C)cc(C(=O)[O-])c2)c2ccccc21 ZINC001597884435 989720472 /nfs/dbraw/zinc/72/04/72/989720472.db2.gz MSHQMEGUEBHJOF-UHFFFAOYSA-N -1 0 336.391 3.849 20 0 EHADRM CC(C)(C)OC(=O)n1cc(-c2cnc3occc3c2)cc1C(=O)[O-] ZINC001590368429 989847145 /nfs/dbraw/zinc/84/71/45/989847145.db2.gz AUBGJCFCTMACEP-UHFFFAOYSA-N -1 0 328.324 3.778 20 0 EHADRM CC(C)(C)OC(=O)n1cc(-c2cncc3[nH]ccc32)cc1C(=O)[O-] ZINC001590369558 989857069 /nfs/dbraw/zinc/85/70/69/989857069.db2.gz PHJFUSNRFFCZQW-UHFFFAOYSA-N -1 0 327.340 3.513 20 0 EHADRM CC(C)(C)OCCCC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001590381598 989895309 /nfs/dbraw/zinc/89/53/09/989895309.db2.gz FJRGHERCRLBLIQ-UHFFFAOYSA-N -1 0 331.771 3.711 20 0 EHADRM CC(C)(C)OCCCC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001590382081 989897825 /nfs/dbraw/zinc/89/78/25/989897825.db2.gz KQNKIQFDLWRZTR-MRXNPFEDSA-N -1 0 335.444 3.550 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)NC[C@H](CC(=O)[O-])C2CC2)c1 ZINC001590399114 989933031 /nfs/dbraw/zinc/93/30/31/989933031.db2.gz WICRKIBSYJDNST-HNNXBMFYSA-N -1 0 348.443 3.624 20 0 EHADRM CC(C)(C)Oc1ccccc1NC(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001590420198 989962799 /nfs/dbraw/zinc/96/27/99/989962799.db2.gz OBOUDWLDETZXKF-GOSISDBHSA-N -1 0 334.416 3.583 20 0 EHADRM CC(C)(C)Oc1cccc(COC(=O)C2(C(=O)[O-])CC3(CCC3)C2)c1 ZINC001590420027 989963028 /nfs/dbraw/zinc/96/30/28/989963028.db2.gz LUWMMRPPBPUREL-UHFFFAOYSA-N -1 0 346.423 3.942 20 0 EHADRM CC(C)(C)SCC(=O)Oc1cccc2c(CC(=O)[O-])cccc12 ZINC001590429393 989980366 /nfs/dbraw/zinc/98/03/66/989980366.db2.gz GCHXOJMLJOLNNN-UHFFFAOYSA-N -1 0 332.421 3.904 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1sc2cccc(F)c2c1Cl)C(=O)[O-] ZINC001590444511 990004132 /nfs/dbraw/zinc/00/41/32/990004132.db2.gz NIQUDAKOURTNKL-GFCCVEGCSA-N -1 0 343.807 3.923 20 0 EHADRM CC(C)(C)c1cc(C(=O)Oc2ccc(C(=O)[O-])cc2)cc(Cl)n1 ZINC001590463317 990036954 /nfs/dbraw/zinc/03/69/54/990036954.db2.gz IHVVCROGGYCWSJ-UHFFFAOYSA-N -1 0 333.771 3.950 20 0 EHADRM CC(C)(C)c1ccc(-c2ccc(C(=O)N[C@H]3CC[C@H]3C(=O)[O-])o2)cc1 ZINC001590472522 990045568 /nfs/dbraw/zinc/04/55/68/990045568.db2.gz RRTBSVHQEDNYHY-CABCVRRESA-N -1 0 341.407 3.837 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])s1 ZINC001590475253 990048188 /nfs/dbraw/zinc/04/81/88/990048188.db2.gz HFVUBNXEDSVKAY-MRXNPFEDSA-N -1 0 343.448 3.870 20 0 EHADRM CC(C)(C)c1ccc(C(=O)Nc2cnc(C(=O)[O-])c(Cl)c2)cc1 ZINC001590481963 990077843 /nfs/dbraw/zinc/07/78/43/990077843.db2.gz YBTZGVBYLUODTD-UHFFFAOYSA-N -1 0 332.787 3.983 20 0 EHADRM CC(C)(C)c1ccc(CCNC(=O)c2ccsc2C(=O)[O-])cc1 ZINC001590484893 990080316 /nfs/dbraw/zinc/08/03/16/990080316.db2.gz IECRNZOBWFQPAU-UHFFFAOYSA-N -1 0 331.437 3.716 20 0 EHADRM CC(C)(C)c1ccc(SCC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])cc1 ZINC001590501381 990118340 /nfs/dbraw/zinc/11/83/40/990118340.db2.gz ZPCBLUYISGUAGN-XJKSGUPXSA-N -1 0 349.496 3.836 20 0 EHADRM CN(C(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)c1ccccc1C(=O)[O-] ZINC001597998415 990124319 /nfs/dbraw/zinc/12/43/19/990124319.db2.gz MFFYGQPAUMMXID-NEPJUHHUSA-N -1 0 349.308 3.569 20 0 EHADRM CC(C)(C)c1nc(C(=O)O[C@H](C(=O)[O-])c2ccccc2F)cs1 ZINC001590537415 990154636 /nfs/dbraw/zinc/15/46/36/990154636.db2.gz HZXYPSKRCJNFAZ-LBPRGKRZSA-N -1 0 337.372 3.562 20 0 EHADRM CC(C)(C)c1csc(NC(=O)NCc2ccc(C(=O)[O-])s2)n1 ZINC001590537646 990156584 /nfs/dbraw/zinc/15/65/84/990156584.db2.gz YWRBWQWBGFFZHJ-UHFFFAOYSA-N -1 0 339.442 3.522 20 0 EHADRM CC(C)(C)c1nc(C(=O)OC[C@@](C)(C(=O)[O-])c2ccccc2)cs1 ZINC001590537796 990157533 /nfs/dbraw/zinc/15/75/33/990157533.db2.gz TYRCFKXOFJCLSX-GOSISDBHSA-N -1 0 347.436 3.640 20 0 EHADRM CC(C)(C)c1nc(NC(=O)c2ncc(Cl)s2)sc1C(=O)[O-] ZINC001590545271 990179520 /nfs/dbraw/zinc/17/95/20/990179520.db2.gz AZJIWKJNTIIJTR-UHFFFAOYSA-N -1 0 345.833 3.501 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)N[C@@H]3CCC[C@@H]3C(=O)[O-])ccc2o1 ZINC001590545899 990185642 /nfs/dbraw/zinc/18/56/42/990185642.db2.gz UWVRXCAMCMBHLQ-NWDGAFQWSA-N -1 0 345.399 3.500 20 0 EHADRM CN(C(=O)Cc1ccc(C(=O)[O-])cc1)C1CCC(C(C)(C)C)CC1 ZINC001598034121 990257397 /nfs/dbraw/zinc/25/73/97/990257397.db2.gz CQOXAJKITCARMT-UHFFFAOYSA-N -1 0 331.456 3.991 20 0 EHADRM CN(C(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1)C1CCCCC1 ZINC001598041925 990278739 /nfs/dbraw/zinc/27/87/39/990278739.db2.gz HHWRHOQMKSKKIM-IRXDYDNUSA-N -1 0 330.428 3.661 20 0 EHADRM CN(C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21)C1CCCCC1 ZINC001598047788 990286792 /nfs/dbraw/zinc/28/67/92/990286792.db2.gz SCWWEWFYNLLPFT-MRXNPFEDSA-N -1 0 344.455 3.779 20 0 EHADRM CC(C)(CC(=O)N[C@@H](C(=O)[O-])c1ccc(O)cc1)C1CCCCC1 ZINC001590620903 990298450 /nfs/dbraw/zinc/29/84/50/990298450.db2.gz KPJAJVKVPRLEGY-QGZVFWFLSA-N -1 0 333.428 3.631 20 0 EHADRM CC(C)(CC(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F)C1CC1 ZINC001590620951 990299127 /nfs/dbraw/zinc/29/91/27/990299127.db2.gz NTKLOXSHZRZLQB-CQSZACIVSA-N -1 0 343.345 3.931 20 0 EHADRM CN(C(=O)Nc1ccc(SC(C)(C)C)cc1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598059996 990327626 /nfs/dbraw/zinc/32/76/26/990327626.db2.gz HEBYHGJZAUMRMN-BJHJDKERSA-N -1 0 336.457 3.904 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Oc1ccc(Cl)c(Br)c1 ZINC001590637812 990329168 /nfs/dbraw/zinc/32/91/68/990329168.db2.gz ZQELYQWDTHBARZ-UHFFFAOYSA-N -1 0 349.608 3.899 20 0 EHADRM CC(C)(CC(=O)OCc1ccc(C(=O)[O-])o1)CC(=O)c1ccccc1 ZINC001590649037 990336277 /nfs/dbraw/zinc/33/62/77/990336277.db2.gz PJQKZRLNNJETMW-UHFFFAOYSA-N -1 0 344.363 3.710 20 0 EHADRM CN(C(=O)OCc1ccc(Cl)cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001598066341 990350021 /nfs/dbraw/zinc/35/00/21/990350021.db2.gz CERVWSLHEFJWCB-UHFFFAOYSA-N -1 0 349.770 3.576 20 0 EHADRM CN(C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001598073282 990376107 /nfs/dbraw/zinc/37/61/07/990376107.db2.gz YGOBMGCTRPWYRR-XLAORIBOSA-N -1 0 329.440 3.672 20 0 EHADRM CC(C)(CNC(=O)C(C)(C)c1cccc2ccccc21)CC(=O)[O-] ZINC001590705723 990447008 /nfs/dbraw/zinc/44/70/08/990447008.db2.gz XGTXVKQLXDHHSW-UHFFFAOYSA-N -1 0 327.424 3.735 20 0 EHADRM CC(C)(CNC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)C1CCCCC1 ZINC001590716873 990479916 /nfs/dbraw/zinc/47/99/16/990479916.db2.gz GABMGQAJYVIVBF-HNNXBMFYSA-N -1 0 338.492 3.879 20 0 EHADRM CC(C)(CNC(=O)N[C@H]1CCC(C)(C)c2ccccc21)CC(=O)[O-] ZINC001590723707 990505537 /nfs/dbraw/zinc/50/55/37/990505537.db2.gz AUPWUQYGAOGYLP-HNNXBMFYSA-N -1 0 332.444 3.599 20 0 EHADRM CC(C)(CNC(=O)NC1(c2ccccc2Cl)CCC1)CC(=O)[O-] ZINC001590723862 990507139 /nfs/dbraw/zinc/50/71/39/990507139.db2.gz JGQBKVVGZJHXJV-UHFFFAOYSA-N -1 0 338.835 3.519 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 ZINC001590734303 990527929 /nfs/dbraw/zinc/52/79/29/990527929.db2.gz KURXJLWRQKSWDJ-UHFFFAOYSA-N -1 0 348.349 3.762 20 0 EHADRM CC(C)(CSCCC(=O)Nc1ccc(Cl)cc1F)C(=O)[O-] ZINC001590819901 990651272 /nfs/dbraw/zinc/65/12/72/990651272.db2.gz AHDNNMGTUFBSMM-UHFFFAOYSA-N -1 0 333.812 3.652 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001590822158 990663337 /nfs/dbraw/zinc/66/33/37/990663337.db2.gz XQRGZSIEVMDKLF-UHFFFAOYSA-N -1 0 333.334 3.870 20 0 EHADRM CC(C)(NC(=O)Cc1ccc(C(=O)[O-])cc1)c1cccc(Cl)c1 ZINC001590844583 990716099 /nfs/dbraw/zinc/71/60/99/990716099.db2.gz WSQBCIQEFKOPRS-UHFFFAOYSA-N -1 0 331.799 3.632 20 0 EHADRM CC(C)(NC(=O)c1cccc(C2CCCC2)c1)c1nocc1C(=O)[O-] ZINC001590864190 990757509 /nfs/dbraw/zinc/75/75/09/990757509.db2.gz UAKGUYZJLZWJEE-UHFFFAOYSA-N -1 0 342.395 3.696 20 0 EHADRM CC(C)(c1noc(-c2cccc(OCC(=O)[O-])c2)n1)c1ccccc1 ZINC001590908122 990875290 /nfs/dbraw/zinc/87/52/90/990875290.db2.gz BYWBKMBNDWNFFN-UHFFFAOYSA-N -1 0 338.363 3.526 20 0 EHADRM CC(C)(c1ccc(F)cc1)C1(NC(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC001590908604 990876763 /nfs/dbraw/zinc/87/67/63/990876763.db2.gz KGYVVJVJFQLYQH-UHFFFAOYSA-N -1 0 341.382 3.764 20 0 EHADRM COc1cccc(SC)c1NC(=O)NCCCCCCC(=O)[O-] ZINC001599683628 990950917 /nfs/dbraw/zinc/95/09/17/990950917.db2.gz TXZPDIKLZULNCK-UHFFFAOYSA-N -1 0 340.445 3.574 20 0 EHADRM CC(C)C(=O)c1ccc([C@H](C)C(=O)O[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC001590949386 991007528 /nfs/dbraw/zinc/00/75/28/991007528.db2.gz QEWMTGQPONILPK-XKQJLSEDSA-N -1 0 346.423 3.815 20 0 EHADRM COc1cccc2[nH]c(C(=O)Nc3ccc([C@H](C)C(=O)[O-])cc3)cc21 ZINC001599687862 991016769 /nfs/dbraw/zinc/01/67/69/991016769.db2.gz AWNSUUFUALZILR-NSHDSACASA-N -1 0 338.363 3.617 20 0 EHADRM CN(C)Cc1cnc(CNc2ccc(C(=O)[O-])c3ccccc23)s1 ZINC001598256914 991069945 /nfs/dbraw/zinc/06/99/45/991069945.db2.gz XUCAUHLDSQUFHD-UHFFFAOYSA-N -1 0 341.436 3.668 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001590967797 991085936 /nfs/dbraw/zinc/08/59/36/991085936.db2.gz IBLVHVQNKUWWRP-NLJKLAEJSA-N -1 0 343.467 3.507 20 0 EHADRM CC(C)[C@](C)(Cc1ccc(Cl)cc1)NC(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001590968309 991089784 /nfs/dbraw/zinc/08/97/84/991089784.db2.gz OSXIMLLSRONIDO-SFHVURJKSA-N -1 0 348.830 3.754 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001599697166 991165536 /nfs/dbraw/zinc/16/55/36/991165536.db2.gz HIDVSKUWPVMPSP-ZHACJKMWSA-N -1 0 343.354 3.883 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)O[C@H](C)c1cc(C(=O)[O-])co1 ZINC001599699163 991192642 /nfs/dbraw/zinc/19/26/42/991192642.db2.gz VFKPTZWARPNQSL-NXIHDVOMSA-N -1 0 330.336 3.694 20 0 EHADRM COc1ccccc1[C@@H]1C[C@H]1c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC001599719654 991515476 /nfs/dbraw/zinc/51/54/76/991515476.db2.gz VCDHJNJUQDEXBM-LSDHHAIUSA-N -1 0 336.347 3.715 20 0 EHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)C1 ZINC001591082848 991602456 /nfs/dbraw/zinc/60/24/56/991602456.db2.gz ZDLYLPBOFDKDLQ-QAPCUYQASA-N -1 0 344.455 3.667 20 0 EHADRM CC(C)[C@H]1CCCCCN1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC001591087938 991615819 /nfs/dbraw/zinc/61/58/19/991615819.db2.gz CCSIDEKVCGHPOS-CYBMUJFWSA-N -1 0 339.461 3.593 20 0 EHADRM COc1cncc(/C=C\CCSCc2nc(C(=O)[O-])cs2)c1 ZINC001599726710 991639483 /nfs/dbraw/zinc/63/94/83/991639483.db2.gz SDFFXWXQHZRVEU-RQOWECAXSA-N -1 0 336.438 3.582 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])[C@H]1C(C)C ZINC001591093403 991658532 /nfs/dbraw/zinc/65/85/32/991658532.db2.gz SFZKNTMXAVDEHI-KXBFYZLASA-N -1 0 342.439 3.548 20 0 EHADRM CC(C)C[C@@H](C)C(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001591131183 991826043 /nfs/dbraw/zinc/82/60/43/991826043.db2.gz QYMIWUSXJWYWHE-SECBINFHSA-N -1 0 328.206 3.768 20 0 EHADRM CC(C)C[C@H](C)CC(=O)N1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001591132653 991831017 /nfs/dbraw/zinc/83/10/17/991831017.db2.gz CGANSRBKBNNSSC-QWHCGFSZSA-N -1 0 338.473 3.620 20 0 EHADRM CC(C)C[C@H](C)CC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001591132674 991831156 /nfs/dbraw/zinc/83/11/56/991831156.db2.gz CLQHXIRATMMMCK-BONVTDFDSA-N -1 0 329.799 3.793 20 0 EHADRM CC(C)C[C@@H](C)OC(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001591138021 991851630 /nfs/dbraw/zinc/85/16/30/991851630.db2.gz OJUIDJQXOHTVLF-DOMZBBRYSA-N -1 0 333.384 3.589 20 0 EHADRM CC(C)CC(CC(C)C)C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC001591142715 991866798 /nfs/dbraw/zinc/86/67/98/991866798.db2.gz IHYPVFYIQPSSST-UHFFFAOYSA-N -1 0 326.462 3.807 20 0 EHADRM CC(C)CC(CC(C)C)C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC001591143897 991873190 /nfs/dbraw/zinc/87/31/90/991873190.db2.gz WSUZULWSCXLCBF-GOSISDBHSA-N -1 0 331.456 3.905 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1cc(C(=O)[O-])ccn1)c1ccc(Cl)cc1 ZINC001591179063 991979165 /nfs/dbraw/zinc/97/91/65/991979165.db2.gz YSOLPLIHNVXIDM-OAHLLOKOSA-N -1 0 346.814 3.950 20 0 EHADRM CC(C)C[C@@H]1CCCN1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001591207601 992042650 /nfs/dbraw/zinc/04/26/50/992042650.db2.gz RYPQMBXEAJBRRZ-HNNXBMFYSA-N -1 0 334.416 3.583 20 0 EHADRM CC(C)C[C@@H]1OCCC[C@H]1Nc1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001591211336 992055974 /nfs/dbraw/zinc/05/59/74/992055974.db2.gz BMGDUITVYSOTNQ-OLZOCXBDSA-N -1 0 346.349 3.804 20 0 EHADRM CC(C)CCCCCC(=O)N1c2c(cccc2C(=O)[O-])NC(=O)[C@H]1C ZINC001591236334 992116466 /nfs/dbraw/zinc/11/64/66/992116466.db2.gz CVZCQMRRHWWILQ-CYBMUJFWSA-N -1 0 346.427 3.665 20 0 EHADRM CC(C)CCCCC(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC001591237017 992120880 /nfs/dbraw/zinc/12/08/80/992120880.db2.gz SSNJRRFOGZLRIA-GFCCVEGCSA-N -1 0 325.380 3.833 20 0 EHADRM CC(C)CCOc1ccc(NCc2cc(C(=O)[O-])n(C)c2)cc1F ZINC001591261109 992172032 /nfs/dbraw/zinc/17/20/32/992172032.db2.gz VYPVOMOVWVOILB-UHFFFAOYSA-N -1 0 334.391 3.899 20 0 EHADRM CN(CCCSCc1ccccc1C(=O)[O-])C(=O)OC(C)(C)C ZINC001598482787 992178339 /nfs/dbraw/zinc/17/83/39/992178339.db2.gz DARXSQFDDFFRJZ-UHFFFAOYSA-N -1 0 339.457 3.875 20 0 EHADRM CC(C)CN(C(=O)c1ccn(C)c1-c1ccccc1)C(C)(C)C(=O)[O-] ZINC001591284740 992220800 /nfs/dbraw/zinc/22/08/00/992220800.db2.gz FMNFOZKPEWFENH-UHFFFAOYSA-N -1 0 342.439 3.654 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)[C@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC001591290711 992237948 /nfs/dbraw/zinc/23/79/48/992237948.db2.gz CPRKGFMZSXSWQM-OCCSQVGLSA-N -1 0 341.810 3.542 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1(Cc2ccc(F)cc2)CC1 ZINC001591309569 992266875 /nfs/dbraw/zinc/26/68/75/992266875.db2.gz AUQGNXJTIQFHJJ-UHFFFAOYSA-N -1 0 349.446 3.744 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)[C@@H](C)CSCc1ccccc1 ZINC001591322304 992292950 /nfs/dbraw/zinc/29/29/50/992292950.db2.gz WRENKDUWWZUFHG-HNNXBMFYSA-N -1 0 337.485 3.515 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)/C=C\c1ccccc1C(F)(F)F ZINC001591323757 992297467 /nfs/dbraw/zinc/29/74/67/992297467.db2.gz SWGPTOUYANAVHX-FPLPWBNLSA-N -1 0 343.345 3.678 20 0 EHADRM CSC(C)(C)C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001599782253 992380845 /nfs/dbraw/zinc/38/08/45/992380845.db2.gz SDBPYCHBZRJNFP-SNVBAGLBSA-N -1 0 337.224 3.804 20 0 EHADRM CC(C)CNc1nnc(SCCc2ccccc2C(=O)[O-])s1 ZINC001591380103 992424111 /nfs/dbraw/zinc/42/41/11/992424111.db2.gz STUDJPDEITWIOX-UHFFFAOYSA-N -1 0 337.470 3.639 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CCc1ccc(Cl)c(F)c1 ZINC001598509695 992553940 /nfs/dbraw/zinc/55/39/40/992553940.db2.gz AXRXBARMWIVBNX-UHFFFAOYSA-N -1 0 349.789 3.769 20 0 EHADRM CC(C)Cc1ccc(C(=O)NCCc2ccccc2C(=O)[O-])cc1 ZINC001591477018 992596119 /nfs/dbraw/zinc/59/61/19/992596119.db2.gz FFZGDXJCDNSJPY-UHFFFAOYSA-N -1 0 325.408 3.556 20 0 EHADRM CC(C)Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)cc1 ZINC001591477727 992599926 /nfs/dbraw/zinc/59/99/26/992599926.db2.gz YXLVEEBTXFYXKQ-GBESFXJTSA-N -1 0 343.467 3.991 20 0 EHADRM CC(C)Cc1ccc(CCCC(=O)NC(C)(C)CCC(=O)[O-])cc1 ZINC001591483562 992603843 /nfs/dbraw/zinc/60/38/43/992603843.db2.gz KCHZMSTUVINPAM-UHFFFAOYSA-N -1 0 333.472 3.967 20 0 EHADRM CC(C)Cc1ccccc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001591489336 992619604 /nfs/dbraw/zinc/61/96/04/992619604.db2.gz QGWQFFSWDHUSEF-MOPGFXCFSA-N -1 0 337.419 3.928 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)c1 ZINC001591489223 992619660 /nfs/dbraw/zinc/61/96/60/992619660.db2.gz OOHJNIOSKGOZEL-MDOVXXIYSA-N -1 0 331.456 3.558 20 0 EHADRM CC(C)Cn1ccc2c1cccc2C(=O)OC1CC(CC(=O)[O-])C1 ZINC001591521646 992691303 /nfs/dbraw/zinc/69/13/03/992691303.db2.gz NULVPAIQNXFTOJ-UHFFFAOYSA-N -1 0 329.396 3.707 20 0 EHADRM CN(Cc1ccns1)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598531462 992785949 /nfs/dbraw/zinc/78/59/49/992785949.db2.gz RVZKCHWAZMEMKE-GFCCVEGCSA-N -1 0 331.224 3.708 20 0 EHADRM CN(Cc1cncc(F)c1)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598533196 992813211 /nfs/dbraw/zinc/81/32/11/992813211.db2.gz OCIZPDFTIRNCKA-CQSZACIVSA-N -1 0 343.185 3.785 20 0 EHADRM CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)C(CC)CC ZINC000275009139 1015740394 /nfs/dbraw/zinc/74/03/94/1015740394.db2.gz PMVCKSDSYKEVFY-UHFFFAOYSA-N -1 0 327.446 3.510 20 0 EHADRM COc1ccc(F)cc1[C@H](C)NC(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001599582471 993569701 /nfs/dbraw/zinc/56/97/01/993569701.db2.gz DHEUFNCDLHGYJP-NSHDSACASA-N -1 0 346.358 3.724 20 0 EHADRM COc1ccc(F)cc1CN1CCCCc2cc(C(=O)[O-])ccc21 ZINC001599582655 993572355 /nfs/dbraw/zinc/57/23/55/993572355.db2.gz FRDLRFUZQGKUFX-UHFFFAOYSA-N -1 0 329.371 3.875 20 0 EHADRM COc1ccc(N(C)C(=O)c2ccccc2S[C@H](C)C(=O)[O-])cc1 ZINC001599583878 993586540 /nfs/dbraw/zinc/58/65/40/993586540.db2.gz HNTUKGKMJHFEMV-GFCCVEGCSA-N -1 0 345.420 3.537 20 0 EHADRM C[C@@H](NC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1)c1cccc2ccccc21 ZINC001593071649 993627183 /nfs/dbraw/zinc/62/71/83/993627183.db2.gz NKPYKFSAXQYNPO-IIAWOOMASA-N -1 0 340.423 3.653 20 0 EHADRM COc1ccc(NC(=O)CC2CC(c3ccccc3)C2)c(C(=O)[O-])c1 ZINC001599588989 993652468 /nfs/dbraw/zinc/65/24/68/993652468.db2.gz FYCHGPTWHCPWFS-UHFFFAOYSA-N -1 0 339.391 3.916 20 0 EHADRM C[C@H](NC(=O)NCC1(C(=O)[O-])CCCC1)c1csc2ccccc21 ZINC001593080670 993652764 /nfs/dbraw/zinc/65/27/64/993652764.db2.gz ABZOFSZSLAEKJY-LBPRGKRZSA-N -1 0 346.452 3.907 20 0 EHADRM COc1ccc(NC(=O)CCc2ccc(C)cc2C)c(C(=O)[O-])c1 ZINC001599591229 993686251 /nfs/dbraw/zinc/68/62/51/993686251.db2.gz PNWPQXOKMQEFQZ-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM COc1ccc(NCc2ccc(C(=O)[O-])c(F)c2)cc1OC(C)C ZINC001599597269 993764680 /nfs/dbraw/zinc/76/46/80/993764680.db2.gz OFQKYFNUJWECAW-UHFFFAOYSA-N -1 0 333.359 3.932 20 0 EHADRM C[C@@H](NC(=O)Nc1cc(C(=O)[O-])cnc1Cl)[C@H](C)c1ccccc1 ZINC001593109210 993771887 /nfs/dbraw/zinc/77/18/87/993771887.db2.gz KLYGMPAPWQRGFP-WDEREUQCSA-N -1 0 347.802 3.747 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(CCC(=O)[O-])cc1)[C@]12C[C@H]1CCCC2 ZINC001593116398 993810579 /nfs/dbraw/zinc/81/05/79/993810579.db2.gz DBSKMSLBFABZOH-OHNRDTAOSA-N -1 0 330.428 3.794 20 0 EHADRM COc1ccc(OCCS[C@H](C(=O)[O-])c2cccc(OC)c2)cc1 ZINC001599606836 993896641 /nfs/dbraw/zinc/89/66/41/993896641.db2.gz NLLYDGCMVLHPTB-KRWDZBQOSA-N -1 0 348.420 3.642 20 0 EHADRM C[C@](NC(=O)c1ccc(C2=CCCC2)cc1)(C(=O)[O-])c1ccccc1 ZINC001593159506 993985300 /nfs/dbraw/zinc/98/53/00/993985300.db2.gz GLQQUEZCCGPXAR-OAQYLSRUSA-N -1 0 335.403 3.984 20 0 EHADRM C[C@H](N[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1)c1cscn1 ZINC001593190888 994129018 /nfs/dbraw/zinc/12/90/18/994129018.db2.gz YATPWVPGSFJYMK-JVXZTZIISA-N -1 0 331.224 3.926 20 0 EHADRM C[C@@H](N[C@@H](C)c1ccccc1OC(F)F)c1cc(C(=O)[O-])co1 ZINC001593197397 994162745 /nfs/dbraw/zinc/16/27/45/994162745.db2.gz JUHHFAVEZGCZFO-VHSXEESVSA-N -1 0 325.311 3.991 20 0 EHADRM COc1ccc2c(c1)CCC[C@@H]2N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001599628382 994182325 /nfs/dbraw/zinc/18/23/25/994182325.db2.gz KRKAKXQFFFTFMH-HZMBPMFUSA-N -1 0 332.425 3.578 20 0 EHADRM C[C@@H](N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ncc(-c2ccccc2)o1 ZINC001593202995 994183154 /nfs/dbraw/zinc/18/31/54/994183154.db2.gz BRODPGIXNRJGMR-MNOVXSKESA-N -1 0 343.408 3.908 20 0 EHADRM C[C@@H](N[C@@H](C)c1ccc2c(c1)CCCO2)c1ncc(C(=O)[O-])s1 ZINC001593204560 994204293 /nfs/dbraw/zinc/20/42/93/994204293.db2.gz UCUQUHPSGLZJNK-WDEREUQCSA-N -1 0 332.425 3.578 20 0 EHADRM C[C@H](N[C@@H](C)c1cncc(C(=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC001593204917 994210261 /nfs/dbraw/zinc/21/02/61/994210261.db2.gz XLEGPLTVNRIYKZ-QWRGUYRKSA-N -1 0 333.457 3.946 20 0 EHADRM COc1ccc2cc(/C=C/C(=O)Nc3ccc(C(=O)[O-])nc3)ccc2c1 ZINC001599634985 994273721 /nfs/dbraw/zinc/27/37/21/994273721.db2.gz IPHGJGKNLVFSDF-YCRREMRBSA-N -1 0 348.358 3.594 20 0 EHADRM COc1ccc2cc([C@H](C)OC(=O)c3ccc(C(=O)[O-])[nH]3)ccc2c1 ZINC001599635035 994274639 /nfs/dbraw/zinc/27/46/39/994274639.db2.gz JTILCOCHEDXPPG-NSHDSACASA-N -1 0 339.347 3.793 20 0 EHADRM C[C@H](N[C@H]1CCCc2c(Cl)ccnc21)c1ncc(C(=O)[O-])s1 ZINC001593218747 994290955 /nfs/dbraw/zinc/29/09/55/994290955.db2.gz KEKXKLHSXWESSZ-KWQFWETISA-N -1 0 337.832 3.618 20 0 EHADRM COc1ccc2oc(C(=O)Nc3ccsc3C(=O)[O-])c(C)c2c1 ZINC001599637458 994309407 /nfs/dbraw/zinc/30/94/07/994309407.db2.gz CWCHCICWXQTZJH-UHFFFAOYSA-N -1 0 331.349 3.762 20 0 EHADRM COc1ccc2occ(-c3nc(-c4ccc(C(=O)[O-])cc4)no3)c2c1 ZINC001599637522 994310502 /nfs/dbraw/zinc/31/05/02/994310502.db2.gz MEOCICPZFYTARC-UHFFFAOYSA-N -1 0 336.303 3.857 20 0 EHADRM COc1cccc(-c2nnc(SCc3cc(C)c(C(=O)[O-])o3)o2)c1 ZINC001599639312 994335538 /nfs/dbraw/zinc/33/55/38/994335538.db2.gz MRUURYFOUSHOHK-UHFFFAOYSA-N -1 0 346.364 3.637 20 0 EHADRM C[C@H](N[C@@H]1CCc2cc(F)c(F)c(F)c21)c1cncc(C(=O)[O-])c1 ZINC001593233665 994393534 /nfs/dbraw/zinc/39/35/34/994393534.db2.gz RVHZMWBHTJVFLK-ISVAXAHUSA-N -1 0 336.313 3.535 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)Cc1coc2cc(C)ccc12 ZINC001599643880 994396781 /nfs/dbraw/zinc/39/67/81/994396781.db2.gz GMOLJRLQTMMROU-UHFFFAOYSA-N -1 0 340.331 3.596 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)[C@H]1C[C@@H]1c1sccc1C ZINC001599644962 994412945 /nfs/dbraw/zinc/41/29/45/994412945.db2.gz FVTJSVREKHASRF-STQMWFEESA-N -1 0 345.420 3.530 20 0 EHADRM COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)/C=C/C2CCCCCC2)c1 ZINC001599646909 994437758 /nfs/dbraw/zinc/43/77/58/994437758.db2.gz BOKRNANXBXBKPZ-HYSAVQALSA-N -1 0 345.439 3.806 20 0 EHADRM C[C@@H](NCc1c(F)c(F)cc(F)c1F)c1cc(C(=O)[O-])cs1 ZINC001593285944 994639806 /nfs/dbraw/zinc/63/98/06/994639806.db2.gz LKMRSJPQINLMHX-ZCFIWIBFSA-N -1 0 333.306 3.854 20 0 EHADRM COc1cccc(C2(NC(=O)Nc3cc(C)cc(C(=O)[O-])c3)CC2)c1 ZINC001599664649 994709923 /nfs/dbraw/zinc/70/99/23/994709923.db2.gz HYWOXDYHGNIQGQ-UHFFFAOYSA-N -1 0 340.379 3.513 20 0 EHADRM C[C@](NCc1ccnc(Cl)c1Cl)(C(=O)[O-])c1ccc(F)cc1 ZINC001593303992 994740261 /nfs/dbraw/zinc/74/02/61/994740261.db2.gz JJTFWMHJWAFPKJ-OAHLLOKOSA-N -1 0 343.185 3.617 20 0 EHADRM COc1cccc(Cl)c1NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001599675844 994895663 /nfs/dbraw/zinc/89/56/63/994895663.db2.gz AKXUWXXYKLWLJA-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM COc1cccc(N(CC(C)C)C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC001599676824 994911640 /nfs/dbraw/zinc/91/16/40/994911640.db2.gz GQUJETAYQRMSAD-DLBZAZTESA-N -1 0 333.428 3.575 20 0 EHADRM COc1cccc(N(CC(C)C)C(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC001599678533 994938828 /nfs/dbraw/zinc/93/88/28/994938828.db2.gz ZDONRFSCZNYTBX-UHFFFAOYSA-N -1 0 341.407 3.625 20 0 EHADRM COc1cccc(Oc2ccc(Nc3ccc(C(=O)[O-])nn3)cc2)c1 ZINC001599681242 994985537 /nfs/dbraw/zinc/98/55/37/994985537.db2.gz POPVKPPGVIAOGH-UHFFFAOYSA-N -1 0 337.335 3.719 20 0 EHADRM COC(=O)[C@@H](C)CS[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001598689279 995039247 /nfs/dbraw/zinc/03/92/47/995039247.db2.gz WWKVCOPSHFJZDB-WRWORJQWSA-N -1 0 337.224 3.661 20 0 EHADRM C[C@H](Nc1cccc(OC[C@@H]2CCCO2)c1)c1cncc(C(=O)[O-])c1 ZINC001593365565 995040861 /nfs/dbraw/zinc/04/08/61/995040861.db2.gz BHRBXUADYIMXCR-UGSOOPFHSA-N -1 0 342.395 3.511 20 0 EHADRM COC(=O)[C@@H](N[C@@H](C)c1ccc(Cl)cc1)c1cccc(C(=O)[O-])c1 ZINC001598713332 995374348 /nfs/dbraw/zinc/37/43/48/995374348.db2.gz LXEFOMDOTWOIJZ-ZBEGNZNMSA-N -1 0 347.798 3.603 20 0 EHADRM C[C@@H](O)c1ncc(CNc2ccc3sc(C(=O)[O-])cc3c2)s1 ZINC001593482978 995435244 /nfs/dbraw/zinc/43/52/44/995435244.db2.gz WFHPEUDRLVUUQR-MRVPVSSYSA-N -1 0 334.422 3.721 20 0 EHADRM C[C@H](OC(=O)[C@H]1C[C@@]12CCCc1ccccc12)c1cc(C(=O)[O-])co1 ZINC001593502272 995508482 /nfs/dbraw/zinc/50/84/82/995508482.db2.gz WTVBCZRIJGLZKA-BXJCWQANSA-N -1 0 340.375 3.876 20 0 EHADRM C[C@H](OC(=O)Cc1ccc(Cl)cc1Cl)c1nc(C(=O)[O-])co1 ZINC001593535570 995595881 /nfs/dbraw/zinc/59/58/81/995595881.db2.gz UEBPQBOPJZUKON-ZETCQYMHSA-N -1 0 344.150 3.527 20 0 EHADRM C[C@@H](OC(=O)c1cc(C2CC2)oc1C1CC1)c1nc(C(=O)[O-])co1 ZINC001593556764 995646915 /nfs/dbraw/zinc/64/69/15/995646915.db2.gz XKZRGIQACKRWOZ-MRVPVSSYSA-N -1 0 331.324 3.639 20 0 EHADRM C[C@@H](OC(=O)c1ccc(F)c(C(F)F)c1)c1cc(C(=O)[O-])co1 ZINC001593578489 995686548 /nfs/dbraw/zinc/68/65/48/995686548.db2.gz BGZHGUZDUGAFNX-SSDOTTSWSA-N -1 0 328.242 3.973 20 0 EHADRM C[C@H](OC(=O)c1ccc(C(F)F)cc1F)c1ccc(C(=O)[O-])o1 ZINC001593578571 995687365 /nfs/dbraw/zinc/68/73/65/995687365.db2.gz DEYDHJJCWUJSSW-ZETCQYMHSA-N -1 0 328.242 3.973 20 0 EHADRM C[C@H](OC(=O)c1ccccc1-c1ccccc1C(=O)[O-])c1cnccn1 ZINC001593593472 995728003 /nfs/dbraw/zinc/72/80/03/995728003.db2.gz POUBOFPVXIAUNL-ZDUSSCGKSA-N -1 0 348.358 3.760 20 0 EHADRM C[C@@H](OC(=O)c1cn(C)c2ccc(F)cc12)c1ccc(C(=O)[O-])o1 ZINC001593598201 995743803 /nfs/dbraw/zinc/74/38/03/995743803.db2.gz XHTFQTZFBMUDRZ-SECBINFHSA-N -1 0 331.299 3.527 20 0 EHADRM C[C@H](OC1CCCCC1)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC001593602822 995765848 /nfs/dbraw/zinc/76/58/48/995765848.db2.gz KYSATFFMSYTGCT-JTQLQIEISA-N -1 0 325.792 3.715 20 0 EHADRM C[C@H](OCCc1ccccc1)c1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC001593608464 995795812 /nfs/dbraw/zinc/79/58/12/995795812.db2.gz WLJXCJIYXXCYMW-ZDUSSCGKSA-N -1 0 338.363 3.755 20 0 EHADRM C[C@@H](Oc1ccc(C(=O)[O-])cc1Br)C(=O)C(C)(C)C ZINC001593612119 995812959 /nfs/dbraw/zinc/81/29/59/995812959.db2.gz KQGBKSYDXWUASB-MRVPVSSYSA-N -1 0 329.190 3.530 20 0 EHADRM C[C@@H](Oc1ccccc1)c1noc(C23CCC(C(=O)[O-])(CC2)CC3)n1 ZINC001593641666 995953992 /nfs/dbraw/zinc/95/39/92/995953992.db2.gz XUOCUVLGOVGFPQ-XYJCDUHRSA-N -1 0 342.395 3.886 20 0 EHADRM C[C@H](Oc1ccccc1NCc1ccc(C(=O)[O-])[nH]1)C(F)(F)F ZINC001593650844 996008644 /nfs/dbraw/zinc/00/86/44/996008644.db2.gz CQSHBVHGSZKLMB-VIFPVBQESA-N -1 0 328.290 3.655 20 0 EHADRM C[C@H](SCCCCOc1ccc(Br)cc1)C(=O)[O-] ZINC001593656750 996028411 /nfs/dbraw/zinc/02/84/11/996028411.db2.gz PRAHHSJAPICHKJ-JTQLQIEISA-N -1 0 333.247 3.814 20 0 EHADRM C[C@H](S[C@H](C(=O)[O-])c1ccccc1Cl)C(=O)OC(C)(C)C ZINC001593658585 996033083 /nfs/dbraw/zinc/03/30/83/996033083.db2.gz KFFIMFDMUWVHOY-CABZTGNLSA-N -1 0 330.833 3.929 20 0 EHADRM C[C@@H](Sc1ccc(F)cc1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001593666821 996053185 /nfs/dbraw/zinc/05/31/85/996053185.db2.gz AMVANCMKZPKSAJ-GFCCVEGCSA-N -1 0 347.411 3.663 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CC2(CCC2)[C@H]1C1CC1)C(=O)[O-] ZINC001593668291 996061912 /nfs/dbraw/zinc/06/19/12/996061912.db2.gz PPGQUUPGTCLYRQ-BLLLJJGKSA-N -1 0 345.464 3.657 20 0 EHADRM C[C@@H](c1ccc(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)cc1)C(F)(F)F ZINC001593686028 996121220 /nfs/dbraw/zinc/12/12/20/996121220.db2.gz LXQUFAWBJDZDSN-WDMOLILDSA-N -1 0 343.345 3.726 20 0 EHADRM C[C@H](c1ccc(C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)cc1)C(F)(F)F ZINC001593687172 996126006 /nfs/dbraw/zinc/12/60/06/996126006.db2.gz VRHRUKBBCYLSPM-USBNGQNGSA-N -1 0 343.345 3.535 20 0 EHADRM C[C@H](c1ccc(C(=O)[O-])o1)S(=O)(=O)c1ccccc1C(F)(F)F ZINC001593690232 996135942 /nfs/dbraw/zinc/13/59/42/996135942.db2.gz RQJCSJJQFXFGKS-MRVPVSSYSA-N -1 0 348.298 3.532 20 0 EHADRM C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001593693932 996147067 /nfs/dbraw/zinc/14/70/67/996147067.db2.gz PKERDZFNVHFEQV-KGYLQXTDSA-N -1 0 343.345 3.726 20 0 EHADRM C[C@H](c1ccccc1)N(C(=O)/C=C\c1ccc(C(=O)[O-])o1)C1CC1 ZINC001593705082 996187896 /nfs/dbraw/zinc/18/78/96/996187896.db2.gz GHKDIGJBLUOWDB-KXXVWKPMSA-N -1 0 325.364 3.743 20 0 EHADRM C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC001593705924 996193885 /nfs/dbraw/zinc/19/38/85/996193885.db2.gz LJZOQBCCNSNNPM-SCLBCKFNSA-N -1 0 341.382 3.932 20 0 EHADRM C[C@@H](c1ccccc1)N(C(=O)Nc1ccc(C(=O)[O-])cn1)C1CC1 ZINC001593706587 996197386 /nfs/dbraw/zinc/19/73/86/996197386.db2.gz RIPYFDUJRXJYJM-LBPRGKRZSA-N -1 0 325.368 3.537 20 0 EHADRM C[C@H](C(=O)[N-]S(=O)(=O)CCCF)c1c(Cl)cccc1Cl ZINC000080318324 1016019136 /nfs/dbraw/zinc/01/91/36/1016019136.db2.gz HFPUOSLKKMDRNI-QMMMGPOBSA-N -1 0 342.219 3.743 20 0 EHADRM C[C@H](c1ncc(C(=O)[O-])s1)N1CCC(OCC2CCCC2)CC1 ZINC001593730916 996298698 /nfs/dbraw/zinc/29/86/98/996298698.db2.gz BMTIMOVFMCWSRL-GFCCVEGCSA-N -1 0 338.473 3.574 20 0 EHADRM C[C@H](c1ncc(C(=O)[O-])s1)N1CCC(Cc2cccc(F)c2)CC1 ZINC001593731760 996305102 /nfs/dbraw/zinc/30/51/02/996305102.db2.gz IXYYZEOXZIPXOF-GFCCVEGCSA-N -1 0 348.443 3.996 20 0 EHADRM C[C@@H](c1ncc(C(=O)[O-])s1)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001593737972 996341354 /nfs/dbraw/zinc/34/13/54/996341354.db2.gz UVYHYTZVUUKTNQ-RVBZMBCESA-N -1 0 334.363 3.567 20 0 EHADRM C[C@@]1(Br)C[C@H]1CNc1cc(C(=O)[O-])cc2cccnc21 ZINC001593740799 996358359 /nfs/dbraw/zinc/35/83/59/996358359.db2.gz VSRBBQKGCQXVGR-XHDPSFHLSA-N -1 0 335.201 3.518 20 0 EHADRM O=C([O-])CCN(C(=O)CCCn1ccc2cc(Cl)ccc21)C1CC1 ZINC000683305204 1016029295 /nfs/dbraw/zinc/02/92/95/1016029295.db2.gz JMRWUGGBABHDFH-UHFFFAOYSA-N -1 0 348.830 3.541 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2cccc(-c3nccs3)c2)C1 ZINC001593771353 996464398 /nfs/dbraw/zinc/46/43/98/996464398.db2.gz PFMATLOQRRTVCN-QGZVFWFLSA-N -1 0 345.424 3.529 20 0 EHADRM C[C@@]1(C(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)CCOc2ccccc21 ZINC001593813535 996545566 /nfs/dbraw/zinc/54/55/66/996545566.db2.gz PEHBRYISJAZBSI-GOSISDBHSA-N -1 0 346.766 3.684 20 0 EHADRM C[C@@]1(C(=O)Oc2ccc(CC(=O)[O-])cc2F)CCCc2ccccc21 ZINC001593816870 996557349 /nfs/dbraw/zinc/55/73/49/996557349.db2.gz QROHTHKRWVRTLB-HXUWFJFHSA-N -1 0 342.366 3.652 20 0 EHADRM CC1(C)[C@H](c2ccccc2)CCN1C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001593841478 996599346 /nfs/dbraw/zinc/59/93/46/996599346.db2.gz AFNQEYMJQGOGTB-BBWFWOEESA-N -1 0 329.440 3.672 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)C1CC(C)(C)CC(C)(C)C1)c1cccnc1 ZINC001593847521 996614597 /nfs/dbraw/zinc/61/45/97/996614597.db2.gz PDSVQLINHZZGDC-HXUWFJFHSA-N -1 0 346.471 3.740 20 0 EHADRM CC1(C)CC(C)(C)c2cc(NC(=O)N[C@@H]3CC=C(C(=O)[O-])C3)ccc21 ZINC001593848141 996617982 /nfs/dbraw/zinc/61/79/82/996617982.db2.gz KIQZPHAGOPGPCL-CYBMUJFWSA-N -1 0 342.439 3.940 20 0 EHADRM CC1(C)CC(C)(C)c2cc(NC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)ccc21 ZINC001593849269 996624348 /nfs/dbraw/zinc/62/43/48/996624348.db2.gz LOBVFAYWVWHRLZ-AULYBMBSSA-N -1 0 330.428 3.630 20 0 EHADRM CC1(C)C[C@H](c2ccccc2)N(C(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC001593863072 996661667 /nfs/dbraw/zinc/66/16/67/996661667.db2.gz BROJGZNOMVECIC-MRXNPFEDSA-N -1 0 339.395 3.785 20 0 EHADRM CC1(C)C[C@H](c2ccccc2)CN1C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001593863096 996662305 /nfs/dbraw/zinc/66/23/05/996662305.db2.gz CTCODBXGUYJJOV-YESZJQIVSA-N -1 0 329.440 3.672 20 0 EHADRM CC1(C)CC=C(C(=O)NCCc2cc3ccc(C(=O)[O-])cc3o2)CC1 ZINC001593870465 996680030 /nfs/dbraw/zinc/68/00/30/996680030.db2.gz CCUWDEPUURMPFA-UHFFFAOYSA-N -1 0 341.407 3.926 20 0 EHADRM CC1(C)CCC(=CC(=O)N2CCOc3ccccc3[C@@H]2C(=O)[O-])CC1 ZINC001593871506 996684753 /nfs/dbraw/zinc/68/47/53/996684753.db2.gz WMHCPMWXXVERME-GOSISDBHSA-N -1 0 343.423 3.560 20 0 EHADRM CC1(C)CCC(C)(C)c2cc(C(=O)NC3(C(=O)[O-])CCC3)ccc21 ZINC001593874210 996688744 /nfs/dbraw/zinc/68/87/44/996688744.db2.gz NZSQSJFBKSGPJN-UHFFFAOYSA-N -1 0 329.440 3.773 20 0 EHADRM CC1(C)CC[C@H]1C(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001593883564 996716893 /nfs/dbraw/zinc/71/68/93/996716893.db2.gz KZAHURUUVNDJQK-VIFPVBQESA-N -1 0 326.190 3.522 20 0 EHADRM CC1(C)CCC[C@H](CNC(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC001593887629 996726819 /nfs/dbraw/zinc/72/68/19/996726819.db2.gz CNHPTQFCWJMHLX-AWEZNQCLSA-N -1 0 348.443 3.878 20 0 EHADRM CC1(C)CCC[C@](NC(=O)Cc2ccc(F)c(Cl)c2)(C(=O)[O-])C1 ZINC001593892993 996745103 /nfs/dbraw/zinc/74/51/03/996745103.db2.gz ZTXBXCZFUIPOOO-QGZVFWFLSA-N -1 0 341.810 3.561 20 0 EHADRM CC1(C)CCC[C@H]1[C@H]1CCN(C(=O)Nc2ccc(CC(=O)[O-])cc2)C1 ZINC001593898729 996761706 /nfs/dbraw/zinc/76/17/06/996761706.db2.gz WMDLNYUVSKAJFL-RDJZCZTQSA-N -1 0 344.455 3.994 20 0 EHADRM CC1(C)CCCC[C@@H]1NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001593903519 996774212 /nfs/dbraw/zinc/77/42/12/996774212.db2.gz DICVQVJMPQIRHH-XHSDSOJGSA-N -1 0 330.428 3.965 20 0 EHADRM CC1(C)CCCN(C(=O)c2ccoc2CC(=O)[O-])c2ccccc21 ZINC001593903999 996779399 /nfs/dbraw/zinc/77/93/99/996779399.db2.gz UNUPXWDNOSAKJI-UHFFFAOYSA-N -1 0 327.380 3.625 20 0 EHADRM CC1(C)CCCC[C@@H]1CC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC001593904322 996780969 /nfs/dbraw/zinc/78/09/69/996780969.db2.gz BDWZFRYOHZWQEK-QAPCUYQASA-N -1 0 329.440 3.804 20 0 EHADRM CC1(C)CCCC[C@H]1CC(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1 ZINC001593905077 996786012 /nfs/dbraw/zinc/78/60/12/996786012.db2.gz OGDPGBLTBYUCAX-DLBZAZTESA-N -1 0 331.456 3.795 20 0 EHADRM CC1(C)CCCC[C@H]1CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001593905689 996788142 /nfs/dbraw/zinc/78/81/42/996788142.db2.gz XGQBDBVPXGYMOC-GOEBONIOSA-N -1 0 335.419 3.544 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001599379142 996803962 /nfs/dbraw/zinc/80/39/62/996803962.db2.gz WNGAZZUXMPHPQK-CVEARBPZSA-N -1 0 340.375 3.883 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCCCOc1c(C)cccc1C ZINC001599380000 996820201 /nfs/dbraw/zinc/82/02/01/996820201.db2.gz UXLCKCOAQXYZCV-UHFFFAOYSA-N -1 0 330.380 3.858 20 0 EHADRM COCOc1ccc(OC)cc1CNc1cc(C(=O)[O-])c(C)cc1C ZINC001599277645 996836461 /nfs/dbraw/zinc/83/64/61/996836461.db2.gz IZBUGDJBXFBOPC-UHFFFAOYSA-N -1 0 345.395 3.605 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(C(=O)[O-])cn2)cc1-c1ccccc1 ZINC001599486355 996856149 /nfs/dbraw/zinc/85/61/49/996856149.db2.gz KBKIIUUQXSIZBS-UHFFFAOYSA-N -1 0 348.358 3.708 20 0 EHADRM CC1(C)CN(C(=O)C23CCC(C(=O)[O-])(CC2)C3)c2cccc(Cl)c21 ZINC001593928690 996876529 /nfs/dbraw/zinc/87/65/29/996876529.db2.gz MOMHYLUCPYOITQ-UHFFFAOYSA-N -1 0 347.842 3.999 20 0 EHADRM COc1ccc(C(=O)Nc2cnc(C(=O)[O-])c(Cl)c2)cc1C1CC1 ZINC001599487474 996877194 /nfs/dbraw/zinc/87/71/94/996877194.db2.gz PYCFIFMDWBVBMB-UHFFFAOYSA-N -1 0 346.770 3.572 20 0 EHADRM COc1ccc(C(=O)Nc2cccc(CCC(=O)[O-])c2)cc1Cl ZINC001599487596 996879673 /nfs/dbraw/zinc/87/96/73/996879673.db2.gz USEMBLIIRNWMEO-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM COCc1cc(Cl)ccc1NC(=O)c1ccccc1CCC(=O)[O-] ZINC001599282460 996915301 /nfs/dbraw/zinc/91/53/01/996915301.db2.gz PMCIKXIEQYLSEX-UHFFFAOYSA-N -1 0 347.798 3.756 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)Cc2cccc(Cl)c2)c1 ZINC001599489968 996919808 /nfs/dbraw/zinc/91/98/08/996919808.db2.gz QOSYWYSRHJHYLP-NSHDSACASA-N -1 0 347.798 3.864 20 0 EHADRM CC1(C)CN(C(=O)c2cc(C(=O)[O-])ccc2Cl)[C@H]1c1cccnc1 ZINC001593936642 996920030 /nfs/dbraw/zinc/92/00/30/996920030.db2.gz PIXLWYKIWFQZRI-HNNXBMFYSA-N -1 0 344.798 3.657 20 0 EHADRM COCc1cc(NC(=O)/C(C)=C\c2ccc(C)cc2)cc(C(=O)[O-])c1 ZINC001599284223 996947043 /nfs/dbraw/zinc/94/70/43/996947043.db2.gz HOGKDOQLCDNUEQ-ZSOIEALJSA-N -1 0 339.391 3.882 20 0 EHADRM CC1(C)CN([C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)CC(C)(C)O1 ZINC001593941079 996955503 /nfs/dbraw/zinc/95/55/03/996955503.db2.gz VRNNGJLYHYLBMZ-ZDUSSCGKSA-N -1 0 345.361 3.721 20 0 EHADRM COCc1cc(NC(=O)N(C2CC2)C2CCCCC2)cc(C(=O)[O-])c1 ZINC001599284891 996959315 /nfs/dbraw/zinc/95/93/15/996959315.db2.gz JEGOCGLJASIQEA-UHFFFAOYSA-N -1 0 346.427 3.860 20 0 EHADRM COCc1cc(NC(=O)NC(C2CCC2)C2CCC2)cc(C(=O)[O-])c1 ZINC001599285887 996977097 /nfs/dbraw/zinc/97/70/97/996977097.db2.gz LLJHOTWGOZXYNO-UHFFFAOYSA-N -1 0 346.427 3.622 20 0 EHADRM CC1(C)CN(Cc2ccc(C(=O)[O-])c(Br)c2)C1(C)C ZINC001593942989 996977501 /nfs/dbraw/zinc/97/75/01/996977501.db2.gz YKNBRFGWVBEMLF-UHFFFAOYSA-N -1 0 326.234 3.768 20 0 EHADRM COCc1cc(NC(=O)N2C[C@@H](C)CCC[C@@H]2C)cc(C(=O)[O-])c1 ZINC001599286439 996987959 /nfs/dbraw/zinc/98/79/59/996987959.db2.gz YCZSKYBSBIMWNP-STQMWFEESA-N -1 0 334.416 3.574 20 0 EHADRM COc1cc(C(C)=O)ccc1SCCc1ccccc1C(=O)[O-] ZINC001599388558 996990106 /nfs/dbraw/zinc/99/01/06/996990106.db2.gz MEXAMABKPXEGRD-UHFFFAOYSA-N -1 0 330.405 3.931 20 0 EHADRM COCc1cc(NC(=O)N[C@H](C)C2CCCCC2)cc(C(=O)[O-])c1 ZINC001599287008 996997950 /nfs/dbraw/zinc/99/79/50/996997950.db2.gz YNGIZKFVQFFJLP-GFCCVEGCSA-N -1 0 334.416 3.622 20 0 EHADRM COc1ccc(C(=O)[O-])c2c1CN(C(=O)CCCC1CCCC1)CC2 ZINC001599494866 997004610 /nfs/dbraw/zinc/00/46/10/997004610.db2.gz SSOLXIPGJRTVJD-UHFFFAOYSA-N -1 0 345.439 3.639 20 0 EHADRM CC1(C)CN(c2cc(C(F)(F)F)c(C(=O)[O-])cn2)[C@@H]1c1ccco1 ZINC001593948006 997008903 /nfs/dbraw/zinc/00/89/03/997008903.db2.gz ZEFXLLVFMGWVNL-CYBMUJFWSA-N -1 0 340.301 3.979 20 0 EHADRM COCc1cc(NCc2cc(F)c(F)cc2F)cc(C(=O)[O-])c1 ZINC001599289696 997043455 /nfs/dbraw/zinc/04/34/55/997043455.db2.gz LPDOCERTGVKFDF-UHFFFAOYSA-N -1 0 325.286 3.561 20 0 EHADRM CO[C@]1(C)C[C@@H](N(C)C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)C1(C)C ZINC001599085192 997085335 /nfs/dbraw/zinc/08/53/35/997085335.db2.gz JNAXZCHEHHKLEP-DNVCBOLYSA-N -1 0 348.443 3.669 20 0 EHADRM COc1ccc(C(=O)[O-])cc1CN1CCCc2ccc(F)c(C)c21 ZINC001599500278 997104984 /nfs/dbraw/zinc/10/49/84/997104984.db2.gz OKNPAMNGZRKFGM-UHFFFAOYSA-N -1 0 329.371 3.794 20 0 EHADRM COc1ccc(C(=O)[O-])cc1CN1c2ccccc2N(C)CC[C@@H]1C ZINC001599500386 997107230 /nfs/dbraw/zinc/10/72/30/997107230.db2.gz GWFRJRWVFGDWBT-AWEZNQCLSA-N -1 0 340.423 3.628 20 0 EHADRM COc1cc(C2(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)CC2)ccc1C ZINC001599395604 997120769 /nfs/dbraw/zinc/12/07/69/997120769.db2.gz QBMAPTUYXVDKHB-UHFFFAOYSA-N -1 0 343.354 3.511 20 0 EHADRM COc1ccc(C(=O)[O-])cc1CN[C@@H](c1ccccc1)c1ccccn1 ZINC001599501320 997126205 /nfs/dbraw/zinc/12/62/05/997126205.db2.gz SCDIAYHSXUXMLI-FQEVSTJZSA-N -1 0 348.402 3.668 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)Cc1ccc(Cl)cc1 ZINC001599396440 997135467 /nfs/dbraw/zinc/13/54/67/997135467.db2.gz OARAHBFOKTZIML-UITAMQMPSA-N -1 0 346.766 3.595 20 0 EHADRM COCc1nc2cc(N[C@@H](C(=O)[O-])c3ccccc3C)ccc2o1 ZINC001599302819 997262151 /nfs/dbraw/zinc/26/21/51/997262151.db2.gz MNAGVVINZKYIJS-QGZVFWFLSA-N -1 0 326.352 3.520 20 0 EHADRM COc1ccc(C(F)(F)C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC001599516265 997392127 /nfs/dbraw/zinc/39/21/27/997392127.db2.gz KOGKDQXIKHQWDX-UHFFFAOYSA-N -1 0 349.333 3.741 20 0 EHADRM CO[C@@H]1CCC[C@H](C(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)C1 ZINC001599101796 997397957 /nfs/dbraw/zinc/39/79/57/997397957.db2.gz BUCKOWFBFJSKRR-GVDBMIGSSA-N -1 0 339.476 3.512 20 0 EHADRM COc1cc(CNC(=O)N[C@H](C)C2CCCCCC2)ccc1C(=O)[O-] ZINC001599411763 997435084 /nfs/dbraw/zinc/43/50/84/997435084.db2.gz RZZFPBUFIKBMSI-CYBMUJFWSA-N -1 0 348.443 3.552 20 0 EHADRM CON(C[C@@H]1CCCc2ccccc21)C(=O)c1ccc(C(=O)[O-])s1 ZINC001599317725 997528970 /nfs/dbraw/zinc/52/89/70/997528970.db2.gz SZOBBJZANUOWBA-ZDUSSCGKSA-N -1 0 345.420 3.570 20 0 EHADRM CON(C[C@H]1CCC[C@H](C)C1)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001599318255 997536629 /nfs/dbraw/zinc/53/66/29/997536629.db2.gz XYCXONHSPNEHQC-GJZGRUSLSA-N -1 0 325.449 3.628 20 0 EHADRM COc1ccc([C@H](NC(=O)c2ccc(C)c3ccccc23)C(=O)[O-])cc1 ZINC001599524702 997539000 /nfs/dbraw/zinc/53/90/00/997539000.db2.gz UUVVCQOPETZHFY-IBGZPJMESA-N -1 0 349.386 3.713 20 0 EHADRM COc1cc(CNc2cc(C(=O)[O-])cc3cccnc32)ccc1F ZINC001599419136 997563765 /nfs/dbraw/zinc/56/37/65/997563765.db2.gz VHMDOWGXWVSSHY-UHFFFAOYSA-N -1 0 326.327 3.693 20 0 EHADRM CO[C@H]1CCC[C@@H](CC(=O)OCc2cccc(C(=O)[O-])c2Cl)C1 ZINC001599111799 997582450 /nfs/dbraw/zinc/58/24/50/997582450.db2.gz GCGMIDRFSOATPU-YPMHNXCESA-N -1 0 340.803 3.677 20 0 EHADRM CO[C@H]1CCC[C@H](CC(=O)OCc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC001599111849 997584360 /nfs/dbraw/zinc/58/43/60/997584360.db2.gz GQXPUFOCFJCDSE-AAEUAGOBSA-N -1 0 340.803 3.677 20 0 EHADRM C[C@]1(CNc2cc(C(F)(F)F)c(C(=O)[O-])cn2)CC1(Cl)Cl ZINC001594030104 997588512 /nfs/dbraw/zinc/58/85/12/997588512.db2.gz JPAHVLMFXBHIRA-SNVBAGLBSA-N -1 0 343.132 3.794 20 0 EHADRM COCC[C@H](NCc1cc(C(=O)[O-])ccc1Cl)c1ccc(C)o1 ZINC001599218931 997632053 /nfs/dbraw/zinc/63/20/53/997632053.db2.gz UQLIOEKWMQCGLR-HNNXBMFYSA-N -1 0 337.803 3.807 20 0 EHADRM CO[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1Cl ZINC001599116290 997659003 /nfs/dbraw/zinc/65/90/03/997659003.db2.gz WCTSQMPZRHGQJG-KWQFWETISA-N -1 0 346.210 3.835 20 0 EHADRM CO[C@H]1CCN(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)[C@H](C)C1 ZINC001599118030 997688843 /nfs/dbraw/zinc/68/88/43/997688843.db2.gz SPOBALHHBYBWBD-MFKMUULPSA-N -1 0 348.424 3.631 20 0 EHADRM COc1cc(NC(=O)C(C)(C)c2ccc(F)cc2F)ccc1C(=O)[O-] ZINC001599430012 997742582 /nfs/dbraw/zinc/74/25/82/997742582.db2.gz LTXNXTVHRCELPU-UHFFFAOYSA-N -1 0 349.333 3.588 20 0 EHADRM COc1ccc(C)cc1[C@H](C)OC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001599535988 997745061 /nfs/dbraw/zinc/74/50/61/997745061.db2.gz LKCXULOVEMYKAV-LZGFCCKTSA-N -1 0 330.336 3.612 20 0 EHADRM COCCC[C@@H](C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1Cl ZINC001599225775 997755967 /nfs/dbraw/zinc/75/59/67/997755967.db2.gz UFYJPSZAUYFGEL-MRVPVSSYSA-N -1 0 334.199 3.693 20 0 EHADRM COCCC[C@H](C)C(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001599226034 997761472 /nfs/dbraw/zinc/76/14/72/997761472.db2.gz XPFWGIJLQDVUIX-GXFFZTMASA-N -1 0 348.317 3.594 20 0 EHADRM COc1cc(NC(=O)CCC(C)C)c(C(=O)[O-])cc1Br ZINC001599431806 997772053 /nfs/dbraw/zinc/77/20/53/997772053.db2.gz UYOGPIOZALCRBI-UHFFFAOYSA-N -1 0 344.205 3.531 20 0 EHADRM COc1cc(NC(=O)[C@H](C)c2ccc(Cl)s2)ccc1C(=O)[O-] ZINC001599433484 997801537 /nfs/dbraw/zinc/80/15/37/997801537.db2.gz UNKJLQOAEVUQPN-MRVPVSSYSA-N -1 0 339.800 3.851 20 0 EHADRM COc1cc(NC(=O)N(C)c2cccc(SC)c2)ccc1C(=O)[O-] ZINC001599434273 997814741 /nfs/dbraw/zinc/81/47/41/997814741.db2.gz VRQXQOAHIZBVEB-UHFFFAOYSA-N -1 0 346.408 3.784 20 0 EHADRM CC1(NC(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)Cc2ccccc2C1 ZINC001594058167 997818873 /nfs/dbraw/zinc/81/88/73/997818873.db2.gz ZKEXZRPLFAABFA-UHFFFAOYSA-N -1 0 349.390 3.545 20 0 EHADRM COc1ccc(C=O)cc1CS[C@@H](Cc1ccc(C)cc1)C(=O)[O-] ZINC001599543879 997891487 /nfs/dbraw/zinc/89/14/87/997891487.db2.gz XVLBRJKEOQLIIO-SFHVURJKSA-N -1 0 344.432 3.745 20 0 EHADRM COc1c(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cccc1C(=O)[O-] ZINC001599342192 997940442 /nfs/dbraw/zinc/94/04/42/997940442.db2.gz HMHOJHRPWQEQFF-UHFFFAOYSA-N -1 0 344.754 3.780 20 0 EHADRM COc1c(N[C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)ncnc1C(=O)[O-] ZINC001599342519 997945234 /nfs/dbraw/zinc/94/52/34/997945234.db2.gz FROHUZBKWGYILW-DGCLKSJQSA-N -1 0 347.802 3.585 20 0 EHADRM C[C@]1(c2ccccc2)CN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CCO1 ZINC001594079147 997961757 /nfs/dbraw/zinc/96/17/57/997961757.db2.gz MYKRVYHKIGHLKS-PKOBYXMFSA-N -1 0 345.826 3.713 20 0 EHADRM COc1cc(NCc2cc(C)c(C(=O)[O-])o2)c(Cl)c(OC)c1 ZINC001599443527 997969310 /nfs/dbraw/zinc/96/93/10/997969310.db2.gz GVJIVFGHTZLMEL-UHFFFAOYSA-N -1 0 325.748 3.569 20 0 EHADRM COc1ccc(CC(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])cc1 ZINC001599548915 997971165 /nfs/dbraw/zinc/97/11/65/997971165.db2.gz XEAXOBVBDCEGSW-UHFFFAOYSA-N -1 0 327.380 3.698 20 0 EHADRM COc1cc(NCc2ccc(C(=O)[O-])c(Cl)c2)cc(OC)c1C ZINC001599443809 997973786 /nfs/dbraw/zinc/97/37/86/997973786.db2.gz NHZSXBKUYHASLB-UHFFFAOYSA-N -1 0 335.787 3.976 20 0 EHADRM COc1c(O)cccc1/C=C(/C(=O)[O-])c1nc(C(C)(C)C)cs1 ZINC001599344706 997981739 /nfs/dbraw/zinc/98/17/39/997981739.db2.gz NBPMEBXOGXDACX-DHZHZOJOSA-N -1 0 333.409 3.780 20 0 EHADRM COc1cc(NC(=O)c2oc(C(=O)[O-])cc2C)cc(OC)c1C(C)C ZINC001599444352 997982860 /nfs/dbraw/zinc/98/28/60/997982860.db2.gz HIWGEUNNQRZPST-UHFFFAOYSA-N -1 0 347.367 3.679 20 0 EHADRM COc1cc(NC(=O)c2nc3ccccc3cc2C)ccc1C(=O)[O-] ZINC001599444651 997987641 /nfs/dbraw/zinc/98/76/41/997987641.db2.gz RQQZGJWQCOCCLV-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM COc1ccc(C[C@H](C)Nc2cc(C)cc(C(=O)[O-])c2)cc1OC ZINC001599550656 998001326 /nfs/dbraw/zinc/00/13/26/998001326.db2.gz HNYUBQYNHULSHV-ZDUSSCGKSA-N -1 0 329.396 3.754 20 0 EHADRM COc1cc(OC(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)ccc1C(=O)[O-] ZINC001599445497 998001466 /nfs/dbraw/zinc/00/14/66/998001466.db2.gz DJUVEATXMTVNHP-HUUCEWRRSA-N -1 0 344.338 3.632 20 0 EHADRM COc1cc(OC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)ccc1C(=O)[O-] ZINC001599446582 998019578 /nfs/dbraw/zinc/01/95/78/998019578.db2.gz ZMGYSDRZAOLDKN-MGPQQGTHSA-N -1 0 332.396 3.905 20 0 EHADRM COc1cc(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)ccc1Cl ZINC001599346741 998019675 /nfs/dbraw/zinc/01/96/75/998019675.db2.gz MQAIQIAHPUDTOU-UHFFFAOYSA-N -1 0 330.727 3.764 20 0 EHADRM CC1=C(C(=O)[O-])[C@H](c2c(Cl)ccc(Cl)c2Cl)NC(=O)N1C ZINC001594095563 998068350 /nfs/dbraw/zinc/06/83/50/998068350.db2.gz VEZPAPSSNMDNRK-LLVKDONJSA-N -1 0 349.601 3.702 20 0 EHADRM CC1=C(C(=O)[O-])[C@@H](c2c(Cl)ccc(Cl)c2Cl)NC(=O)N1C ZINC001594095564 998069449 /nfs/dbraw/zinc/06/94/49/998069449.db2.gz VEZPAPSSNMDNRK-NSHDSACASA-N -1 0 349.601 3.702 20 0 EHADRM Cc1ccsc1[C@@H]1NC(=O)N(Cc2ccccc2)C(C)=C1C(=O)[O-] ZINC001594098542 998082375 /nfs/dbraw/zinc/08/23/75/998082375.db2.gz HKWBSOULGRUAKT-OAHLLOKOSA-N -1 0 342.420 3.682 20 0 EHADRM COC(=O)c1cc(Oc2nc3cccc(C)c3s2)cc(C(=O)[O-])c1 ZINC001598950508 998141525 /nfs/dbraw/zinc/14/15/25/998141525.db2.gz ATTPRZOOZLUAHL-UHFFFAOYSA-N -1 0 343.360 3.882 20 0 EHADRM CC1=C(C(=O)[O-])C[C@@H](COc2ccc(Cl)cc2C(F)(F)F)O1 ZINC001594105264 998159178 /nfs/dbraw/zinc/15/91/78/998159178.db2.gz BFBLOQUVNJESLX-VIFPVBQESA-N -1 0 336.693 3.885 20 0 EHADRM CC1=C(C(=O)[O-])C[C@H](COc2ccc(SC(F)(F)F)cc2)O1 ZINC001594106266 998168285 /nfs/dbraw/zinc/16/82/85/998168285.db2.gz LRKYFODBUSDCNU-SNVBAGLBSA-N -1 0 334.315 3.825 20 0 EHADRM CCc1ccc(-c2noc(-c3nc[n-]c3C(=O)c3ccccc3)n2)cc1 ZINC000904575455 1032142750 /nfs/dbraw/zinc/14/27/50/1032142750.db2.gz IQYIWIGMNAZNQE-UHFFFAOYSA-N -1 0 344.374 3.920 20 0 EHADRM COCC(C)(C)CCNC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001599144200 998184231 /nfs/dbraw/zinc/18/42/31/998184231.db2.gz AJDNMTIDTNCUFA-UHFFFAOYSA-N -1 0 344.411 3.722 20 0 EHADRM CC1=C(C)C[C@](C)(C(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)CC1 ZINC001594109858 998198831 /nfs/dbraw/zinc/19/88/31/998198831.db2.gz MVRSVETUWQXPFN-NHCUHLMSSA-N -1 0 341.451 3.768 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)[C@@]2(C)CCC(C)=C(C)C2)C(=O)[O-])cc1 ZINC001594110810 998215448 /nfs/dbraw/zinc/21/54/48/998215448.db2.gz ZWFNEQSVZGYFQO-XLIONFOSSA-N -1 0 329.440 3.806 20 0 EHADRM C[C@H]1C(=O)CC[C@H](c2nc(-c3cccc(C(=O)[O-])c3)no2)C1(C)C ZINC001594121562 998281719 /nfs/dbraw/zinc/28/17/19/998281719.db2.gz INMMFNLLOKRUJG-GXFFZTMASA-N -1 0 328.368 3.544 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N1CCc2ccsc2[C@@H]1C ZINC001599372649 998436205 /nfs/dbraw/zinc/43/62/05/998436205.db2.gz NYJHWVYFEDRPMY-JTQLQIEISA-N -1 0 346.408 3.606 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)NC[C@@H]1CCC[C@H](C)[C@H]1C ZINC001599373692 998452385 /nfs/dbraw/zinc/45/23/85/998452385.db2.gz RYUNUKHJOLGGTJ-SCRDCRAPSA-N -1 0 334.416 3.587 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)NC[C@@H]1CCC[C@H](C)[C@@H]1C ZINC001599373691 998452547 /nfs/dbraw/zinc/45/25/47/998452547.db2.gz RYUNUKHJOLGGTJ-OBJOEFQTSA-N -1 0 334.416 3.587 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1cc(C)nc2ccccc21 ZINC001599374604 998467703 /nfs/dbraw/zinc/46/77/03/998467703.db2.gz SPFLSXNBALPXQY-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@@H](C)c1cc2ccccc2o1 ZINC001599377655 998513426 /nfs/dbraw/zinc/51/34/26/998513426.db2.gz IUYSFDWXHGUKMK-NSHDSACASA-N -1 0 340.331 3.849 20 0 EHADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC001594157423 998576175 /nfs/dbraw/zinc/57/61/75/998576175.db2.gz TVCUTENLYUXLJZ-KWQFWETISA-N -1 0 348.346 3.625 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)Nc1ccc(SC(C)(C)C)cc1 ZINC001594157603 998577866 /nfs/dbraw/zinc/57/78/66/998577866.db2.gz VDEGKISLPOQUOE-RISCZKNCSA-N -1 0 336.457 3.904 20 0 EHADRM C[C@@]1(NC(=O)c2ccc(OC3CCCC3)cc2)CCCC[C@H]1C(=O)[O-] ZINC000683333465 1016237131 /nfs/dbraw/zinc/23/71/31/1016237131.db2.gz UIILNJDPFGNZKE-FXAWDEMLSA-N -1 0 345.439 3.771 20 0 EHADRM C[C@H]1[C@H](C(=O)[O-])CCN1c1oc(-c2ccccc2)nc1C(F)(F)F ZINC001594173018 998664290 /nfs/dbraw/zinc/66/42/90/998664290.db2.gz JXLSXIGPPWHMCJ-GXSJLCMTSA-N -1 0 340.301 3.660 20 0 EHADRM C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccsc1C(=O)[O-] ZINC001594173160 998665385 /nfs/dbraw/zinc/66/53/85/998665385.db2.gz LYCDCYBGDWZSTA-SFYZADRCSA-N -1 0 336.335 3.641 20 0 EHADRM COC(=O)c1ccc2c(c1)CCCCN2Cc1ccsc1C(=O)[O-] ZINC001598989467 998722868 /nfs/dbraw/zinc/72/28/68/998722868.db2.gz AVJLAVGCXZVPMX-UHFFFAOYSA-N -1 0 345.420 3.576 20 0 EHADRM C[C@H]1CC(=O)c2c1c(F)ccc2OCc1cc(C(=O)[O-])ccc1F ZINC001594200846 998775690 /nfs/dbraw/zinc/77/56/90/998775690.db2.gz RQGKBUYBBRTNLU-VIFPVBQESA-N -1 0 332.302 3.932 20 0 EHADRM O=C([O-])C1CC(C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)C1 ZINC000683337441 1016252506 /nfs/dbraw/zinc/25/25/06/1016252506.db2.gz VVJQGNATWNQXSX-UHFFFAOYSA-N -1 0 346.770 3.577 20 0 EHADRM C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc(C(=O)[O-])s1 ZINC001594214587 998826740 /nfs/dbraw/zinc/82/67/40/998826740.db2.gz LRPFUFYUAIOEHT-YUMQZZPRSA-N -1 0 336.335 3.641 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)C1C[C@H](C)C[C@@H](C)C1)C(=O)[O-] ZINC001594219775 998844875 /nfs/dbraw/zinc/84/48/75/998844875.db2.gz QJRQDACUFBTZAA-BZUAXINKSA-N -1 0 331.456 3.808 20 0 EHADRM O=C([O-])C1CC(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)C1 ZINC000683337505 1016256353 /nfs/dbraw/zinc/25/63/53/1016256353.db2.gz YORNNDCTOMFVQU-UHFFFAOYSA-N -1 0 346.770 3.577 20 0 EHADRM C[C@@H]1C[C@H](CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])CC(C)(C)C1 ZINC001594232650 998886959 /nfs/dbraw/zinc/88/69/59/998886959.db2.gz OSCCBDCOJNBOFH-RKVPGOIHSA-N -1 0 343.467 3.877 20 0 EHADRM C[C@@H]1C[C@H](CCNC(=O)Nc2cccc(C(=O)[O-])n2)CC(C)(C)C1 ZINC001594232676 998887607 /nfs/dbraw/zinc/88/76/07/998887607.db2.gz PINHBFBZMNAHBD-OLZOCXBDSA-N -1 0 333.432 3.754 20 0 EHADRM C[C@H]1C[C@@H](CC(=O)Nc2cccc(OCC(=O)[O-])c2)CC(C)(C)C1 ZINC001594233707 998891441 /nfs/dbraw/zinc/89/14/41/998891441.db2.gz ZIGJCTISYXFHSO-KBPBESRZSA-N -1 0 333.428 3.941 20 0 EHADRM C[C@H]1C[C@@H](NC(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CS1 ZINC001594257249 998990401 /nfs/dbraw/zinc/99/04/01/998990401.db2.gz FLEUSBXEHNRLSF-WDEREUQCSA-N -1 0 330.409 3.554 20 0 EHADRM O=C([O-])C1CC(C(=O)N2CCCCC[C@@H]2/C=C/c2cccs2)C1 ZINC000683340778 1016269156 /nfs/dbraw/zinc/26/91/56/1016269156.db2.gz KMOIZWKWZDPIMV-OZRBOEPRSA-N -1 0 333.453 3.643 20 0 EHADRM CO[C@H](C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-])c1ccccc1 ZINC001599026986 999023526 /nfs/dbraw/zinc/02/35/26/999023526.db2.gz NGNFXWZCBISUOD-KRWDZBQOSA-N -1 0 327.380 3.834 20 0 EHADRM CO[C@@H](C(=O)Nc1ccc(Cl)cc1C(=O)[O-])C1CCCCC1 ZINC001599027161 999024478 /nfs/dbraw/zinc/02/44/78/999024478.db2.gz QEBQCOPSJUDGLZ-CQSZACIVSA-N -1 0 325.792 3.572 20 0 EHADRM CO[C@](C)(C(=O)O[C@@H](C)c1ccc(C(=O)[O-])cc1)c1ccccc1F ZINC001599028996 999036654 /nfs/dbraw/zinc/03/66/54/999036654.db2.gz AHMJAMAZLIRGSR-BUXKBTBVSA-N -1 0 346.354 3.690 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2cc(F)cc(C(=O)[O-])c2)C1 ZINC001594269656 999042270 /nfs/dbraw/zinc/04/22/70/999042270.db2.gz LWARAZPSWOUBPB-SJCJKPOMSA-N -1 0 327.355 3.747 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC001594270673 999046484 /nfs/dbraw/zinc/04/64/84/999046484.db2.gz YOTCHROCNJZENR-SJCJKPOMSA-N -1 0 327.355 3.747 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC001594292256 999127074 /nfs/dbraw/zinc/12/70/74/999127074.db2.gz OSWHPZKTOWNFOC-YOLKCXPHSA-N -1 0 341.810 3.793 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)C[C@H]1C ZINC001594295495 999137136 /nfs/dbraw/zinc/13/71/36/999137136.db2.gz IHHJAWKCROOCPJ-RBSFLKMASA-N -1 0 333.428 3.941 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)C[C@@H]1C ZINC001594295494 999137257 /nfs/dbraw/zinc/13/72/57/999137257.db2.gz IHHJAWKCROOCPJ-QLFBSQMISA-N -1 0 333.428 3.941 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)Nc2cc3c(cc2C(=O)[O-])OCCCO3)C[C@H]1C ZINC001594297733 999148669 /nfs/dbraw/zinc/14/86/69/999148669.db2.gz ZNSFUMVABIJVCY-JHJVBQTASA-N -1 0 347.411 3.557 20 0 EHADRM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001594297965 999149813 /nfs/dbraw/zinc/14/98/13/999149813.db2.gz CZVVMFKMHWHCDL-CPWXYTRJSA-N -1 0 347.377 3.601 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C[C@@H]1C ZINC001594315917 999223738 /nfs/dbraw/zinc/22/37/38/999223738.db2.gz ZAJABQVHQNCTNI-YQFWSFKMSA-N -1 0 346.471 3.962 20 0 EHADRM C[C@@H]1CC[C@](NC(=O)c2ccc(Cl)cc2)(C(=O)[O-])c2ccccc21 ZINC001594322311 999241627 /nfs/dbraw/zinc/24/16/27/999241627.db2.gz JZZXCLBFZIDKLL-CWTRNNRKSA-N -1 0 343.810 3.947 20 0 EHADRM C[C@H]1CC[C@H](c2ccccc2)N(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C1 ZINC001594330899 999272148 /nfs/dbraw/zinc/27/21/48/999272148.db2.gz ZXCBUJYYXODSOM-DZJNRPSUSA-N -1 0 329.440 3.877 20 0 EHADRM C[C@@H]1CCC[C@@H](C2CN(C(=O)CCc3ccccc3C(=O)[O-])C2)C1 ZINC001594345466 999307331 /nfs/dbraw/zinc/30/73/31/999307331.db2.gz VIWBXJOMVZEYAV-GDBMZVCRSA-N -1 0 329.440 3.602 20 0 EHADRM C[C@@H]1CCC[C@H](CC(=O)Nc2cccnc2SCCC(=O)[O-])C1 ZINC001594345565 999308203 /nfs/dbraw/zinc/30/82/03/999308203.db2.gz WBXJLGBXVNCFMI-OLZOCXBDSA-N -1 0 336.457 3.803 20 0 EHADRM C[C@@H]1CCC[C@H](CNC(=O)Cn2cc(C(=O)[O-])c3ccccc32)[C@@H]1C ZINC001594346849 999314339 /nfs/dbraw/zinc/31/43/39/999314339.db2.gz SYBIVPNIYDTEFH-RBSFLKMASA-N -1 0 342.439 3.528 20 0 EHADRM C[C@@H]1CCC[C@@H](CNC(=O)Nc2ccc(C(=O)[O-])c3ccccc23)O1 ZINC001594347305 999316080 /nfs/dbraw/zinc/31/60/80/999316080.db2.gz ZCSHHZWRHYHCSI-OLZOCXBDSA-N -1 0 342.395 3.617 20 0 EHADRM C[C@@H]1CCC[C@@H](OC(=O)c2cc(Br)cc(C(=O)[O-])c2)C1 ZINC001594352214 999332998 /nfs/dbraw/zinc/33/29/98/999332998.db2.gz ACQRCGGNTVWZCX-NOZJJQNGSA-N -1 0 341.201 3.883 20 0 EHADRM C[C@H](NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-])[C@@H]1CCC[C@H](C)C1 ZINC001594356317 999345465 /nfs/dbraw/zinc/34/54/65/999345465.db2.gz UOSWJWVVSZAZPB-MELADBBJSA-N -1 0 342.439 3.740 20 0 EHADRM C[C@H]1CCC[C@@]1(C)C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001594357476 999351859 /nfs/dbraw/zinc/35/18/59/999351859.db2.gz MLZPGDNBGFRIAY-NALNUFGESA-N -1 0 349.858 3.793 20 0 EHADRM C[C@H]1CCC[C@H]1CC(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC001594358083 999354476 /nfs/dbraw/zinc/35/44/76/999354476.db2.gz UIQOXPCMMKYUGG-STQMWFEESA-N -1 0 339.382 3.594 20 0 EHADRM C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001594388096 999468853 /nfs/dbraw/zinc/46/88/53/999468853.db2.gz HNBKKGGZUMLUPC-SJKOYZFVSA-N -1 0 339.395 3.615 20 0 EHADRM C[C@H]1CCN(C(=O)NCc2ccc(C(=O)[O-])s2)[C@H]1c1ccccc1 ZINC001594402822 999510030 /nfs/dbraw/zinc/51/00/30/999510030.db2.gz JIMVVAVQHHMFJE-BLLLJJGKSA-N -1 0 344.436 3.739 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC001594409367 999529572 /nfs/dbraw/zinc/52/95/72/999529572.db2.gz FUBAPUYAAZOQEM-SJCJKPOMSA-N -1 0 327.355 3.747 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc3c(cccc3Cl)s2)[C@H](C(=O)[O-])C1 ZINC001594409878 999529948 /nfs/dbraw/zinc/52/99/48/999529948.db2.gz HXDZGFDGAAJKLZ-CABZTGNLSA-N -1 0 337.828 3.880 20 0 EHADRM C[C@H]1CCN(C(=O)c2cccc(C(=O)[O-])c2)c2ccccc2S1 ZINC001594411619 999536361 /nfs/dbraw/zinc/53/63/61/999536361.db2.gz QRDFYCLANCNVIF-LBPRGKRZSA-N -1 0 327.405 3.916 20 0 EHADRM C[C@H]1CCn2ncc(C(=O)Nc3cc4ccccc4cc3C(=O)[O-])c2C1 ZINC001594452462 999652511 /nfs/dbraw/zinc/65/25/11/999652511.db2.gz QKQAHBPINSLXCU-LBPRGKRZSA-N -1 0 349.390 3.569 20 0 EHADRM C[C@H](CCC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655575290 1016375009 /nfs/dbraw/zinc/37/50/09/1016375009.db2.gz IEGOQKQFRNJIGM-YQFWSFKMSA-N -1 0 331.456 3.822 20 0 EHADRM CCn1cc(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c2ccccc21 ZINC000655576823 1016396585 /nfs/dbraw/zinc/39/65/85/1016396585.db2.gz VILHAKQDRGPWEB-VBNZEHGJSA-N -1 0 342.439 3.526 20 0 EHADRM C[C@@H](NC(=O)c1cc2sccc2s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655582556 1016497363 /nfs/dbraw/zinc/49/73/63/1016497363.db2.gz YHVRZYRHSKIKED-KXUCPTDWSA-N -1 0 337.466 3.828 20 0 EHADRM CCCN(Cc1ccc(C)cc1)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000648333432 1016607976 /nfs/dbraw/zinc/60/79/76/1016607976.db2.gz TWTRLWBSFYYIJC-UHFFFAOYSA-N -1 0 325.408 3.675 20 0 EHADRM CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000589437557 1016725941 /nfs/dbraw/zinc/72/59/41/1016725941.db2.gz VYWCARVYSWKXEG-UHFFFAOYSA-N -1 0 327.352 3.553 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(F)c([O-])c(F)c2)CC[C@H]1c1ccccc1 ZINC000180072020 1016884457 /nfs/dbraw/zinc/88/44/57/1016884457.db2.gz HLOAHTZEKXINBO-IUODEOHRSA-N -1 0 331.362 3.936 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N(Cc1ccco1)Cc1cccnc1 ZINC000180192309 1016890085 /nfs/dbraw/zinc/89/00/85/1016890085.db2.gz HBMYUFDXKIWIIP-UHFFFAOYSA-N -1 0 344.317 3.501 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000430412889 1016930322 /nfs/dbraw/zinc/93/03/22/1016930322.db2.gz YKDHRTCFDOCFOK-RCBQFDQVSA-N -1 0 335.432 3.615 20 0 EHADRM O=c1nc(CN[C@H](c2ccccc2)c2ccccn2)[n-]c2ccsc21 ZINC000340329440 1016954133 /nfs/dbraw/zinc/95/41/33/1016954133.db2.gz FMNCMHHTFCNSDO-QGZVFWFLSA-N -1 0 348.431 3.671 20 0 EHADRM Cc1c2ccccc2oc1C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655583681 1016967313 /nfs/dbraw/zinc/96/73/13/1016967313.db2.gz NSLQLVXSCBAQQW-FPMFFAJLSA-N -1 0 329.396 3.606 20 0 EHADRM O=C([O-])CCN(Cc1nc(C(F)(F)F)cs1)Cc1ccccc1 ZINC000659790356 1017019294 /nfs/dbraw/zinc/01/92/94/1017019294.db2.gz OXCOLJNOQLZAIA-UHFFFAOYSA-N -1 0 344.358 3.639 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000414613349 1017032990 /nfs/dbraw/zinc/03/29/90/1017032990.db2.gz NBMXZAYPOCWHRP-HNNXBMFYSA-N -1 0 338.423 3.809 20 0 EHADRM COc1ccc(C(=O)CSc2ccc(C)cc2C)c2occ([O-])c21 ZINC000584343617 1032158596 /nfs/dbraw/zinc/15/85/96/1032158596.db2.gz DTBUXDKAKBEAGK-UHFFFAOYSA-N -1 0 342.416 3.862 20 0 EHADRM Cc1[nH]c2ccccc2c1CCNC(=O)c1cc(F)c(F)c([O-])c1F ZINC000183547365 1032178876 /nfs/dbraw/zinc/17/88/76/1032178876.db2.gz HBARKESQKPMBJM-UHFFFAOYSA-N -1 0 348.324 3.572 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)c3cc(C(=O)[O-])co3)ccc2o1 ZINC000183764139 1032203832 /nfs/dbraw/zinc/20/38/32/1032203832.db2.gz NOIAWUPTWGEWJT-UHFFFAOYSA-N -1 0 328.324 3.669 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2nccc3sccc32)c(C)c1 ZINC000461168081 1032305070 /nfs/dbraw/zinc/30/50/70/1032305070.db2.gz RWOSDIDUHFRBLZ-UHFFFAOYSA-N -1 0 348.449 3.804 20 0 EHADRM O=C([O-])C1(c2nc(-c3ccc4c(c3)CCCC4)cs2)CCOCC1 ZINC000905001376 1032313379 /nfs/dbraw/zinc/31/33/79/1032313379.db2.gz HVEIBAARFBHRFY-UHFFFAOYSA-N -1 0 343.448 3.822 20 0 EHADRM CSc1ccc(NC(=O)C[C@H]2CCC3(CCC3)CO2)cc1C(=O)[O-] ZINC000905044335 1032323973 /nfs/dbraw/zinc/32/39/73/1032323973.db2.gz REKFWDABHSLQER-CYBMUJFWSA-N -1 0 349.452 3.785 20 0 EHADRM Cc1nn(C)c(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)c1Cl ZINC000905030655 1032330069 /nfs/dbraw/zinc/33/00/69/1032330069.db2.gz VMQFEGITNQIIHA-UHFFFAOYSA-N -1 0 334.832 3.638 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000905124756 1032352115 /nfs/dbraw/zinc/35/21/15/1032352115.db2.gz HJXNOMYHJDREPQ-ICBNADEASA-N -1 0 341.451 3.672 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000905124759 1032353034 /nfs/dbraw/zinc/35/30/34/1032353034.db2.gz HJXNOMYHJDREPQ-ZRSRNVLSSA-N -1 0 341.451 3.672 20 0 EHADRM Cc1csc(Nc2cccc(NC(=O)CC(C)(C)C(=O)[O-])c2)n1 ZINC000905130720 1032357597 /nfs/dbraw/zinc/35/75/97/1032357597.db2.gz JEWIFJKSHWSRKU-UHFFFAOYSA-N -1 0 333.413 3.635 20 0 EHADRM CC(C)(/C=C/Cl)NC(=O)C[C@@](C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000905140389 1032360108 /nfs/dbraw/zinc/36/01/08/1032360108.db2.gz ZFUBEBRDSOINAJ-ROJDOSBLSA-N -1 0 344.238 3.720 20 0 EHADRM CSc1ccc(C)c(C(=O)N[C@@H](CC(=O)[O-])C2CCCCC2)c1 ZINC000538503938 1032403289 /nfs/dbraw/zinc/40/32/89/1032403289.db2.gz SYXUJBOBRBZUFR-INIZCTEOSA-N -1 0 335.469 3.870 20 0 EHADRM Cc1nnc([N-]S(=O)(=O)c2csc3ccc(Cl)cc32)s1 ZINC000083955899 1032408205 /nfs/dbraw/zinc/40/82/05/1032408205.db2.gz JGQQRNUQIQTIMS-UHFFFAOYSA-N -1 0 345.858 3.515 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2cccc3ccccc32)no1 ZINC000083955248 1032409357 /nfs/dbraw/zinc/40/93/57/1032409357.db2.gz FLGRVNDIOKRDAM-UHFFFAOYSA-N -1 0 330.409 3.926 20 0 EHADRM COc1ccc(-c2nnsc2Nc2ccc(C(=O)[O-])cc2C)cc1 ZINC001211618498 1032446988 /nfs/dbraw/zinc/44/69/88/1032446988.db2.gz BPNIBQYAAGACAW-UHFFFAOYSA-N -1 0 341.392 3.964 20 0 EHADRM CO[C@H](C)c1nc(=NC(c2cccs2)c2cccs2)s[n-]1 ZINC000376763539 1017087082 /nfs/dbraw/zinc/08/70/82/1017087082.db2.gz GVCMLYXNWDZEAI-SECBINFHSA-N -1 0 337.495 3.992 20 0 EHADRM CCc1ccc(C2CCN(C(=O)[C@H](C)S[C@@H](C)C(=O)[O-])CC2)cc1 ZINC000602013903 1032581188 /nfs/dbraw/zinc/58/11/88/1032581188.db2.gz ZLTCMPLPVMNXEQ-KBPBESRZSA-N -1 0 349.496 3.550 20 0 EHADRM CSCc1ccccc1NC(=O)[C@@](C)(CC(=O)[O-])c1ccsc1 ZINC000601989878 1032583061 /nfs/dbraw/zinc/58/30/61/1032583061.db2.gz LOBUIAVLKVIHLH-KRWDZBQOSA-N -1 0 349.477 3.982 20 0 EHADRM O=C(Nc1ccc(OC(F)F)cc1)c1ccc2[n-]c(=S)oc2c1 ZINC000172320012 1032585195 /nfs/dbraw/zinc/58/51/95/1032585195.db2.gz VNYVZHBBSGERKF-UHFFFAOYSA-N -1 0 336.319 3.970 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1cc(F)cc2[nH]c(=S)[nH]c21 ZINC000172356759 1032617917 /nfs/dbraw/zinc/61/79/17/1032617917.db2.gz UTIYMUGXFNPUIL-UHFFFAOYSA-N -1 0 337.763 3.976 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2scnc2-c2ccccc2)s1 ZINC000091055262 1032629395 /nfs/dbraw/zinc/62/93/95/1032629395.db2.gz FROJAZMJPPQNIR-UHFFFAOYSA-N -1 0 336.463 3.981 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cc(Cl)ccc2Cl)[C@@H](C(=O)[O-])C1 ZINC000125598237 1017134073 /nfs/dbraw/zinc/13/40/73/1017134073.db2.gz YIQZJQQGKTYELK-PRHODGIISA-N -1 0 331.199 3.710 20 0 EHADRM O=S(=O)([N-]c1nc(C2CC2)cs1)c1ccc2c(c1)CCCC2 ZINC000302943242 1017198892 /nfs/dbraw/zinc/19/88/92/1017198892.db2.gz KNHDQTCBONRZQO-UHFFFAOYSA-N -1 0 334.466 3.700 20 0 EHADRM COc1cc(NC(=O)c2cc(F)c([O-])c(F)c2)c(OC)cc1Cl ZINC000183309672 1017272043 /nfs/dbraw/zinc/27/20/43/1017272043.db2.gz PXZTWQSPCBUQDV-UHFFFAOYSA-N -1 0 343.713 3.593 20 0 EHADRM CN(Cc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000547916540 1017319775 /nfs/dbraw/zinc/31/97/75/1017319775.db2.gz QYOQNLZQBOEEIK-INIZCTEOSA-N -1 0 346.814 3.697 20 0 EHADRM CC(=O)Nc1cc(Cl)ccc1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000183578603 1017343304 /nfs/dbraw/zinc/34/33/04/1017343304.db2.gz FFZHMMHMRXMBSB-UHFFFAOYSA-N -1 0 340.713 3.535 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCSC[C@@H]1c1ccccc1 ZINC000183627263 1017355491 /nfs/dbraw/zinc/35/54/91/1017355491.db2.gz TZCJAJUFVLGRSK-OAHLLOKOSA-N -1 0 333.840 3.976 20 0 EHADRM CCC(CC)Sc1n[n-]c(=Nc2cccc(NC(C)=O)c2)s1 ZINC000574085069 1032694128 /nfs/dbraw/zinc/69/41/28/1032694128.db2.gz WJPREFCHMPVKAO-UHFFFAOYSA-N -1 0 336.486 3.943 20 0 EHADRM C[C@H](N=c1[n-]nc(C2CCOCC2)s1)c1ccc2c(c1)CCCC2 ZINC000549176232 1017523595 /nfs/dbraw/zinc/52/35/95/1017523595.db2.gz ITBXCLCVIHZKLE-ZDUSSCGKSA-N -1 0 343.496 3.906 20 0 EHADRM Fc1ccc(Cc2n[n-]c(=NCc3ccc(F)c(F)c3)s2)cc1 ZINC000537405192 1032707503 /nfs/dbraw/zinc/70/75/03/1032707503.db2.gz VWLICYJUTOKLEM-UHFFFAOYSA-N -1 0 335.354 3.580 20 0 EHADRM [O-]c1c(Cl)ccc(CN2CCC(O)(C(F)(F)F)CC2)c1Cl ZINC001232625917 1032713232 /nfs/dbraw/zinc/71/32/32/1032713232.db2.gz SDLPAXRPAFHYAE-UHFFFAOYSA-N -1 0 344.160 3.588 20 0 EHADRM CCc1n[n-]c(=NC(=O)N2CC[C@@H](c3ccccc3)[C@@H](CC)C2)s1 ZINC000472762620 1017763330 /nfs/dbraw/zinc/76/33/30/1017763330.db2.gz MAVYFNWBASCHJN-DZGCQCFKSA-N -1 0 344.484 3.570 20 0 EHADRM O=C([O-])C1(CC(=O)NC[C@@H]2CCCCC2(F)F)CCCCCC1 ZINC000389663621 1032721784 /nfs/dbraw/zinc/72/17/84/1032721784.db2.gz CKJMTRGSIUJAHG-ZDUSSCGKSA-N -1 0 331.403 3.743 20 0 EHADRM CC(C)[C@@H](CNC(=O)N[C@@H](C)c1cc2ccccc2s1)C(=O)[O-] ZINC000655876884 1017843395 /nfs/dbraw/zinc/84/33/95/1017843395.db2.gz QPLAQJHMQFZDKR-WCQYABFASA-N -1 0 334.441 3.618 20 0 EHADRM CCCN(Cc1ccccc1)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655908919 1017906520 /nfs/dbraw/zinc/90/65/20/1017906520.db2.gz WPJFDKADDKKAAR-BHYGNILZSA-N -1 0 346.471 3.744 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)CC/C=C/c1ccccc1 ZINC000579977332 1017947545 /nfs/dbraw/zinc/94/75/45/1017947545.db2.gz FHQANNMWDDEAHE-WEVVVXLNSA-N -1 0 348.406 3.918 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)NCc1ccc(Cl)cc1Cl)C1CCC1 ZINC000565474307 1017988664 /nfs/dbraw/zinc/98/86/64/1017988664.db2.gz OHFZIBZRLBJDMC-VIFPVBQESA-N -1 0 345.226 3.531 20 0 EHADRM CCC(CC)(CC(=O)N[C@@H](C)CSc1ccc(C)cc1)C(=O)[O-] ZINC000471473290 1018081941 /nfs/dbraw/zinc/08/19/41/1018081941.db2.gz UNQWYHLWGIYEBD-AWEZNQCLSA-N -1 0 337.485 3.873 20 0 EHADRM CC1(C)[C@@H]2CN(C(=O)c3cc(Br)cc(Cl)c3[O-])C[C@@H]21 ZINC000073147705 1123189388 /nfs/dbraw/zinc/18/93/88/1123189388.db2.gz MCNZLHCVLJFKER-AOOOYVTPSA-N -1 0 344.636 3.536 20 0 EHADRM Cc1ccc(S(=O)(=O)C=C([O-])c2ccc(Cl)s2)cc1C ZINC000081906706 1018317594 /nfs/dbraw/zinc/31/75/94/1018317594.db2.gz BYGOLNBHADJZOZ-UHFFFAOYSA-N -1 0 328.842 3.675 20 0 EHADRM CCCCc1cc([N-]S(=O)(=O)c2ccc(C)cc2Cl)[nH]n1 ZINC000471506389 1018394356 /nfs/dbraw/zinc/39/43/56/1018394356.db2.gz GDNWOSQCJABXHG-UHFFFAOYSA-N -1 0 327.837 3.515 20 0 EHADRM Cc1ccc(Cl)c(NC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])c1 ZINC000325715879 1018433897 /nfs/dbraw/zinc/43/38/97/1018433897.db2.gz MGQJKVIKTXTNPC-MRXNPFEDSA-N -1 0 344.798 3.692 20 0 EHADRM COc1cc(C(=O)N2CC[C@H](C)C[C@H]2c2ccco2)cc(OC)c1O ZINC000163808597 1018528205 /nfs/dbraw/zinc/52/82/05/1018528205.db2.gz XYYBIGDYICBVJZ-JSGCOSHPSA-N -1 0 345.395 3.616 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000659139625 1018544725 /nfs/dbraw/zinc/54/47/25/1018544725.db2.gz FSFHAQSGOZLUFU-LRDDRELGSA-N -1 0 345.420 3.605 20 0 EHADRM CC(C)CN=c1[n-]nc(SCc2cc(OC(C)C)ccn2)s1 ZINC000651185877 1018582286 /nfs/dbraw/zinc/58/22/86/1018582286.db2.gz ZERLXHXVHDIIGF-UHFFFAOYSA-N -1 0 338.502 3.502 20 0 EHADRM Cc1ccc2oc(CNC(=O)CC3CCC(C(=O)[O-])CC3)cc2c1 ZINC000580096820 1018636100 /nfs/dbraw/zinc/63/61/00/1018636100.db2.gz QEUZUMJSVPNTQX-UHFFFAOYSA-N -1 0 329.396 3.639 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])cc1)[C@@H](CCc1ccccc1)C(F)F ZINC000630305278 1018841231 /nfs/dbraw/zinc/84/12/31/1018841231.db2.gz OWMJHUDVMWZHLJ-INIZCTEOSA-N -1 0 347.361 3.723 20 0 EHADRM C/C(=C/C(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000237050229 1018858582 /nfs/dbraw/zinc/85/85/82/1018858582.db2.gz DDQBHRVXJORCDD-QBFSEMIESA-N -1 0 327.355 3.586 20 0 EHADRM CSc1ccc(CCCC(=O)N2CC[C@](C(=O)[O-])(C(C)C)C2)cc1 ZINC000576403523 1018934451 /nfs/dbraw/zinc/93/44/51/1018934451.db2.gz WYFQIEHSHMUOQL-LJQANCHMSA-N -1 0 349.496 3.691 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000614387673 1018945123 /nfs/dbraw/zinc/94/51/23/1018945123.db2.gz RVILABVDBFHNRG-FOLVSLTJSA-N -1 0 340.427 3.641 20 0 EHADRM O=C([O-])CC1(NC(=O)c2ccc(SC(F)(F)F)cc2)CCCC1 ZINC000261766772 1019011135 /nfs/dbraw/zinc/01/11/35/1019011135.db2.gz QHWFCJZVDPRBNH-UHFFFAOYSA-N -1 0 347.358 3.816 20 0 EHADRM CCc1nnc(-c2ccc(NC(=O)c3c([O-])cc(F)cc3F)cc2)o1 ZINC000175797774 1019194111 /nfs/dbraw/zinc/19/41/11/1019194111.db2.gz TVGAUCVJUZENEO-UHFFFAOYSA-N -1 0 345.305 3.535 20 0 EHADRM O=C([N-]S(=O)(=O)c1cccs1)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000050204581 1019265116 /nfs/dbraw/zinc/26/51/16/1019265116.db2.gz AGWULANNXFZOFW-RYUDHWBXSA-N -1 0 341.841 3.850 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)c2cc3c(s2)CCCC3)cc1 ZINC000319581526 1019295358 /nfs/dbraw/zinc/29/53/58/1019295358.db2.gz IRJXNHSEMKNUQB-YFHOEESVSA-N -1 0 327.405 3.977 20 0 EHADRM Clc1cc2c(s1)CCC[C@H]2N=c1[n-]c(C2CCOCC2)no1 ZINC000580407868 1019305321 /nfs/dbraw/zinc/30/53/21/1019305321.db2.gz RNKCMZHNMGHXFY-LLVKDONJSA-N -1 0 339.848 3.590 20 0 EHADRM CCOC(=O)c1cnc(/C=C\c2cccc(OCC)c2)c(C(=O)[O-])c1 ZINC000513228345 1019426502 /nfs/dbraw/zinc/42/65/02/1019426502.db2.gz JLYJBJAWOIPZMD-HJWRWDBZSA-N -1 0 341.363 3.526 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000263061313 1019435867 /nfs/dbraw/zinc/43/58/67/1019435867.db2.gz FOZHPZUWMTXLFE-IUCAKERBSA-N -1 0 331.199 3.568 20 0 EHADRM CSCC1(CCNC(=O)CCCc2ccc(O)c(F)c2)CC1 ZINC000597985939 1032831062 /nfs/dbraw/zinc/83/10/62/1032831062.db2.gz CDFADQVCXXJIAD-UHFFFAOYSA-N -1 0 325.449 3.504 20 0 EHADRM FC(F)c1n[n-]c(=NCc2cnc(-c3ccc(Cl)cc3)s2)o1 ZINC000340700525 1019456843 /nfs/dbraw/zinc/45/68/43/1019456843.db2.gz FBQHAYDMMFKMNG-UHFFFAOYSA-N -1 0 342.758 3.818 20 0 EHADRM Cc1c(COc2ccccc2)cccc1NC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC000262238081 1019570297 /nfs/dbraw/zinc/57/02/97/1019570297.db2.gz VYSVMRDMLDKUIS-DLBZAZTESA-N -1 0 339.391 3.623 20 0 EHADRM Cc1c(COc2ccccc2)cccc1NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000262238084 1019570456 /nfs/dbraw/zinc/57/04/56/1019570456.db2.gz VYSVMRDMLDKUIS-SJORKVTESA-N -1 0 339.391 3.623 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)NCCCc1c(Cl)cccc1Cl ZINC000656246634 1019572477 /nfs/dbraw/zinc/57/24/77/1019572477.db2.gz SOQMDTBQOHYUCW-SNVBAGLBSA-N -1 0 332.227 3.543 20 0 EHADRM Cc1cc(F)ccc1C(=O)N=c1nc(Sc2ccccc2)[n-]s1 ZINC000433759242 1019574836 /nfs/dbraw/zinc/57/48/36/1019574836.db2.gz WAHJJGZFFCPHFG-UHFFFAOYSA-N -1 0 345.424 3.811 20 0 EHADRM CCCN(C(=O)[C@@H]1CC[C@H]1C(=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000262283059 1019582647 /nfs/dbraw/zinc/58/26/47/1019582647.db2.gz ZKNORXSEAWXQMB-NWANDNLSSA-N -1 0 329.396 3.843 20 0 EHADRM COc1cccc(CCC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000262546827 1019660412 /nfs/dbraw/zinc/66/04/12/1019660412.db2.gz SFTFQLPFYSONEC-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM Cc1cc(C(=O)N[C@@H](C)[C@H](C)C(=O)[O-])sc1-c1ccc(F)cc1 ZINC000263482445 1019670883 /nfs/dbraw/zinc/67/08/83/1019670883.db2.gz UWBOTIHBXIEBKA-QWRGUYRKSA-N -1 0 335.400 3.702 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)CCCc2ccc(Cl)cc2)C1 ZINC000262852747 1019746754 /nfs/dbraw/zinc/74/67/54/1019746754.db2.gz HZPRTURSBCDHIK-SFHVURJKSA-N -1 0 337.847 3.622 20 0 EHADRM CCSCCCNC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000263055630 1019801224 /nfs/dbraw/zinc/80/12/24/1019801224.db2.gz WUZZWZDIQKUCTE-UHFFFAOYSA-N -1 0 343.448 3.925 20 0 EHADRM COCc1ccccc1[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000340744410 1019920375 /nfs/dbraw/zinc/92/03/75/1019920375.db2.gz VDOSQSBRFFMQKU-UHFFFAOYSA-N -1 0 347.770 3.565 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)c(C)o1 ZINC000345133481 1019963113 /nfs/dbraw/zinc/96/31/13/1019963113.db2.gz YJYLIYQBPJJUPF-UHFFFAOYSA-N -1 0 327.405 3.949 20 0 EHADRM Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000126871526 1020117293 /nfs/dbraw/zinc/11/72/93/1020117293.db2.gz AWZVJFUZDVXWGG-UHFFFAOYSA-N -1 0 326.805 3.623 20 0 EHADRM Cc1ccn(-c2ccccc2[N-]S(=O)(=O)c2cc(C)sc2C)n1 ZINC000345672639 1020421972 /nfs/dbraw/zinc/42/19/72/1020421972.db2.gz FJSPMXNMKZHIHE-UHFFFAOYSA-N -1 0 347.465 3.660 20 0 EHADRM Cc1ccc(C)c(C(=O)N[C@@H]2CCSc3ccccc32)c1C(=O)[O-] ZINC000326554068 1032905192 /nfs/dbraw/zinc/90/51/92/1032905192.db2.gz BYGQBYRFIQXRME-CQSZACIVSA-N -1 0 341.432 3.969 20 0 EHADRM CCc1ccc(CNC(=O)N=c2[n-]nc(-c3ccccc3)s2)s1 ZINC000548154845 1020495320 /nfs/dbraw/zinc/49/53/20/1020495320.db2.gz HTSZPPKZKCEZOS-UHFFFAOYSA-N -1 0 344.465 3.573 20 0 EHADRM C[C@H](CNC(=O)N=c1[n-]nc(-c2ccccc2)s1)c1ccccc1 ZINC000548154636 1020515967 /nfs/dbraw/zinc/51/59/67/1020515967.db2.gz ADSBFYYOEWIGEH-CYBMUJFWSA-N -1 0 338.436 3.552 20 0 EHADRM COc1cc(C)c(NC(=O)c2s[n-]c(=O)c2Cl)c(C)c1C ZINC000345887763 1020576438 /nfs/dbraw/zinc/57/64/38/1020576438.db2.gz NJDPRZULZZTUDZ-UHFFFAOYSA-N -1 0 326.805 3.688 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000345898275 1020595311 /nfs/dbraw/zinc/59/53/11/1020595311.db2.gz CVDZVSNQCYNFFZ-IBGZPJMESA-N -1 0 348.402 3.936 20 0 EHADRM c1csc(-c2c[nH]c(CN=c3[n-]nc(-c4ccccc4)s3)n2)c1 ZINC000340924253 1020626796 /nfs/dbraw/zinc/62/67/96/1020626796.db2.gz NGJFZPVIUXSKON-UHFFFAOYSA-N -1 0 339.449 3.691 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)Nc1ccc2c(c1)C=CCCC2)C1CCC1 ZINC000656505992 1020765501 /nfs/dbraw/zinc/76/55/01/1020765501.db2.gz IKUVKTJHYYGPDS-ZDUSSCGKSA-N -1 0 328.412 3.896 20 0 EHADRM CC[C@H](OCCOc1ccc(-c2n[n-]c(=N)o2)cc1)c1ccccc1 ZINC000650320847 1020785842 /nfs/dbraw/zinc/78/58/42/1020785842.db2.gz ONJXLWYGRLQCSJ-KRWDZBQOSA-N -1 0 339.395 3.696 20 0 EHADRM CC(C)c1cc(C(=O)[N-]c2nnc(Cc3cccc(F)c3)s2)on1 ZINC000070857302 1020855100 /nfs/dbraw/zinc/85/51/00/1020855100.db2.gz YBGSJCFAHVGZRD-UHFFFAOYSA-N -1 0 346.387 3.632 20 0 EHADRM C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(O)c(C(F)(F)F)c1 ZINC000476130895 1032935541 /nfs/dbraw/zinc/93/55/41/1032935541.db2.gz BRWSWYFFUIOIET-SECBINFHSA-N -1 0 343.276 3.956 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)N[C@@H](C)c2ccc[nH]2)c1Cl ZINC000760406729 1032938242 /nfs/dbraw/zinc/93/82/42/1032938242.db2.gz SKECFNUJIXNIMM-VIFPVBQESA-N -1 0 333.240 3.669 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)cc2)c(C)o1 ZINC000341093120 1020974576 /nfs/dbraw/zinc/97/45/76/1020974576.db2.gz LXSRWTLTOBREMV-UHFFFAOYSA-N -1 0 344.392 3.885 20 0 EHADRM C[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)N[C@@H]1CCc2ccccc21 ZINC000656594796 1020989141 /nfs/dbraw/zinc/98/91/41/1020989141.db2.gz XWYUDXGTBPWAPF-RDTXWAMCSA-N -1 0 338.407 3.531 20 0 EHADRM O=C([O-])c1ccc(Nc2ncc(Cl)cc2Br)cc1 ZINC000707028038 1020990599 /nfs/dbraw/zinc/99/05/99/1020990599.db2.gz MNWJYJWEAPUGGG-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM O=C([O-])c1c2c(nc3ccccc31)/C(=C/c1cnn3c1CCC3)CC2 ZINC000656612693 1021029226 /nfs/dbraw/zinc/02/92/26/1021029226.db2.gz JUSNICNRQNXXMX-ZRDIBKRKSA-N -1 0 331.375 3.563 20 0 EHADRM O=C([N-]c1nnc(-c2ccco2)s1)c1csc(C(F)(F)F)n1 ZINC000341194238 1021075570 /nfs/dbraw/zinc/07/55/70/1021075570.db2.gz SXSFQUBYPPMKOH-UHFFFAOYSA-N -1 0 346.315 3.526 20 0 EHADRM CC(C)(CC(=O)NCC1(c2ccc(Cl)cc2)CCCC1)C(=O)[O-] ZINC000581570630 1021097224 /nfs/dbraw/zinc/09/72/24/1021097224.db2.gz FRHJMNTURCLAFX-UHFFFAOYSA-N -1 0 337.847 3.769 20 0 EHADRM CCCN(C(=O)N[C@@H]1CCSc2ccccc21)[C@@H](CC)C(=O)[O-] ZINC000581584925 1021112912 /nfs/dbraw/zinc/11/29/12/1021112912.db2.gz HWLNSUFYOQDPHF-KGLIPLIRSA-N -1 0 336.457 3.508 20 0 EHADRM CC(C)[C@@H]1C[C@H](NC(=O)N2CCC(C)(C(=O)[O-])CC2)c2ccccc21 ZINC000626778050 1032958802 /nfs/dbraw/zinc/95/88/02/1032958802.db2.gz XVQVKNCUGCALJS-IRXDYDNUSA-N -1 0 344.455 3.767 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)CC(C)(C)C)n2)cc1 ZINC000439175080 1021200658 /nfs/dbraw/zinc/20/06/58/1021200658.db2.gz CJQVIVZNTYAHIS-UHFFFAOYSA-N -1 0 329.444 3.819 20 0 EHADRM Cc1ccc(-c2cnc(COc3ccc(-c4n[n-]c(=N)o4)cc3)o2)cc1 ZINC000439196470 1021215072 /nfs/dbraw/zinc/21/50/72/1021215072.db2.gz FGAIWYARCOIZAM-UHFFFAOYSA-N -1 0 348.362 3.692 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCc2ccc(F)c(F)c2C1 ZINC000436799137 1021221780 /nfs/dbraw/zinc/22/17/80/1021221780.db2.gz XCFFBNJDGGRVNE-UHFFFAOYSA-N -1 0 341.716 3.661 20 0 EHADRM CC(C)(NC(=O)c1ccc([O-])c(Cl)c1)c1cc(C(F)(F)F)on1 ZINC000436784455 1021225293 /nfs/dbraw/zinc/22/52/93/1021225293.db2.gz XKFOOCNTDVUSQI-UHFFFAOYSA-N -1 0 348.708 3.718 20 0 EHADRM CCCCOC1CCN(C(=O)c2cc(F)cc(Cl)c2[O-])CC1 ZINC000436786468 1021230329 /nfs/dbraw/zinc/23/03/29/1021230329.db2.gz DDITWULZMUDJRP-UHFFFAOYSA-N -1 0 329.799 3.606 20 0 EHADRM CCCOc1ccc(S(=O)(=O)[N-]c2nccc(C)c2C2CC2)cc1 ZINC000656739497 1021234466 /nfs/dbraw/zinc/23/44/66/1021234466.db2.gz ZQERKDXHHHHNQB-UHFFFAOYSA-N -1 0 346.452 3.857 20 0 EHADRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2c(C)cnn2CC)c1 ZINC000656741573 1021241680 /nfs/dbraw/zinc/24/16/80/1021241680.db2.gz QYWZRVYJAVMVOL-UHFFFAOYSA-N -1 0 341.864 3.618 20 0 EHADRM CN(CC1CCCCC1)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000436850227 1021293127 /nfs/dbraw/zinc/29/31/27/1021293127.db2.gz ZXMHNKNVNBXYBM-UHFFFAOYSA-N -1 0 344.224 3.946 20 0 EHADRM CC(C)(C)C1CCC(O)(CNC(=O)c2ccc([O-])c(Cl)c2)CC1 ZINC000436851807 1021296188 /nfs/dbraw/zinc/29/61/88/1021296188.db2.gz MWPSBMZZTQFJIM-UHFFFAOYSA-N -1 0 339.863 3.743 20 0 EHADRM C/C=C\COc1cccc(CC(=O)Nc2ccc(F)c(F)c2[O-])c1 ZINC001625988288 1032968541 /nfs/dbraw/zinc/96/85/41/1032968541.db2.gz UFZNCZDFOGLCJZ-IHWYPQMZSA-N -1 0 333.334 3.807 20 0 EHADRM COc1cc(/C=C/c2nc3cc(C(=O)[O-])ccc3o2)cc(OC)c1 ZINC000439276528 1021310839 /nfs/dbraw/zinc/31/08/39/1021310839.db2.gz QJBJKFYJZOYBBV-ZZXKWVIFSA-N -1 0 325.320 3.714 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ccnc(C)c2)c(Cl)c1Cl ZINC000096744401 1032974504 /nfs/dbraw/zinc/97/45/04/1032974504.db2.gz IUHNDODWUVKKKT-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM COc1cccc(C[C@@H](C)NC(=O)c2cc(F)c([O-])c(Cl)c2)c1 ZINC000436884826 1021335176 /nfs/dbraw/zinc/33/51/76/1021335176.db2.gz DRCOAWWNOAKXQF-SNVBAGLBSA-N -1 0 337.778 3.554 20 0 EHADRM C[C@H](C1CC1)N(C(=O)c1cc(F)cc(Br)c1[O-])C1CC1 ZINC000436897954 1021361178 /nfs/dbraw/zinc/36/11/78/1021361178.db2.gz VLHPXMZRCAMAGK-MRVPVSSYSA-N -1 0 342.208 3.697 20 0 EHADRM C[C@H]1CCN(c2cc(C(=O)Nc3cc(F)cc(Cl)c3[O-])ccn2)C1 ZINC000436913875 1021371008 /nfs/dbraw/zinc/37/10/08/1021371008.db2.gz ZSSHAULTZRTYJP-JTQLQIEISA-N -1 0 349.793 3.678 20 0 EHADRM Cc1ccc(NC(=O)c2c([O-])cccc2F)cc1OCC(F)F ZINC000436943899 1021406305 /nfs/dbraw/zinc/40/63/05/1021406305.db2.gz HNQJFWNJSJRMFR-UHFFFAOYSA-N -1 0 325.286 3.736 20 0 EHADRM Cc1cc([C@H](NC(=O)c2cc(F)c([O-])c(F)c2)C2CC2)ccc1F ZINC000436963325 1021410384 /nfs/dbraw/zinc/41/03/84/1021410384.db2.gz BWOSNMNZDDSOHK-MRXNPFEDSA-N -1 0 335.325 3.999 20 0 EHADRM Oc1ccc(F)c(CN2CCC(COc3ccccc3)CC2)c1F ZINC000507666701 1021424368 /nfs/dbraw/zinc/42/43/68/1021424368.db2.gz QNICWCSAZDQYSO-UHFFFAOYSA-N -1 0 333.378 3.961 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)C1(c2cccs2)CCCCC1 ZINC000659236444 1021454806 /nfs/dbraw/zinc/45/48/06/1021454806.db2.gz GEEQKUCJTFRJRZ-GUYCJALGSA-N -1 0 335.469 3.710 20 0 EHADRM CCN(C(=O)c1nn(-c2cccc(F)c2)cc1[O-])[C@H]1CCCC[C@@H]1C ZINC000550298374 1021514862 /nfs/dbraw/zinc/51/48/62/1021514862.db2.gz AXWDXKLSFKVNKX-BBRMVZONSA-N -1 0 345.418 3.758 20 0 EHADRM Cc1cccc(Cc2nc(=O)c3snc(-c4ccccc4)c3[n-]2)c1 ZINC000516531852 1021519110 /nfs/dbraw/zinc/51/91/10/1021519110.db2.gz LKHWZHXFJYNJKE-UHFFFAOYSA-N -1 0 333.416 3.946 20 0 EHADRM O=S(=O)([N-]c1ccccc1OCC1CC1)c1cc(F)ccc1F ZINC000607103254 1032987863 /nfs/dbraw/zinc/98/78/63/1032987863.db2.gz XNSLBAILAAZQIX-UHFFFAOYSA-N -1 0 339.363 3.554 20 0 EHADRM CC1(C)CN(C(=O)N=c2ccc(-c3ccccc3)n[n-]2)[C@H]1c1ccco1 ZINC000639798650 1021572522 /nfs/dbraw/zinc/57/25/22/1021572522.db2.gz JVRWTHXONHCXSN-SFHVURJKSA-N -1 0 348.406 3.774 20 0 EHADRM CS(=O)(=O)[N-]c1nc(C2CC2)c(Cc2ccccc2Cl)s1 ZINC000130013251 1021615471 /nfs/dbraw/zinc/61/54/71/1021615471.db2.gz CYHTXLSPWMQHGG-UHFFFAOYSA-N -1 0 342.873 3.636 20 0 EHADRM CCCc1nnc([N-]S(=O)(=O)c2ccc([C@H](C)CC)cc2)s1 ZINC000437178949 1021627398 /nfs/dbraw/zinc/62/73/98/1021627398.db2.gz BGDMSPCKZQOMGM-LLVKDONJSA-N -1 0 339.486 3.805 20 0 EHADRM COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1ccc([O-])c(Cl)c1 ZINC000439733430 1021679312 /nfs/dbraw/zinc/67/93/12/1021679312.db2.gz OBFICMIPPJDWRU-AEFFLSMTSA-N -1 0 331.799 3.514 20 0 EHADRM CCc1ccccc1NC(=O)c1nn(-c2cc(C)ccc2F)cc1[O-] ZINC000536854058 1033001774 /nfs/dbraw/zinc/00/17/74/1033001774.db2.gz WXYNLMXJSHETQL-UHFFFAOYSA-N -1 0 339.370 3.840 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cn2)s1 ZINC000437300454 1021713138 /nfs/dbraw/zinc/71/31/38/1021713138.db2.gz AWELUNWAQIKRGM-UHFFFAOYSA-N -1 0 337.253 3.813 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000516770545 1021717110 /nfs/dbraw/zinc/71/71/10/1021717110.db2.gz NRHBAFYRLLGIQU-TVQRCGJNSA-N -1 0 335.400 3.532 20 0 EHADRM O=S(=O)([N-][C@@H]1CCC[C@H]1c1ccccc1)c1c(F)cccc1F ZINC000518967371 1021724371 /nfs/dbraw/zinc/72/43/71/1021724371.db2.gz LOKKSZLCZSEBRY-XJKSGUPXSA-N -1 0 337.391 3.579 20 0 EHADRM CC(C)CN(Cc1ccccc1)C(=O)N=c1[n-]nc(C(C)(C)C)s1 ZINC000519913091 1021765162 /nfs/dbraw/zinc/76/51/62/1021765162.db2.gz FVUSDUNZUJHIKF-UHFFFAOYSA-N -1 0 346.500 3.948 20 0 EHADRM CCc1nc(=N[C@@H](C)c2ccc(OCC(C)C)c(OC)c2)s[n-]1 ZINC000426516956 1021782691 /nfs/dbraw/zinc/78/26/91/1021782691.db2.gz XNKYHWFOZVBYLO-LBPRGKRZSA-N -1 0 335.473 3.739 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cc(CC(C)(C)C)nn2C)c1 ZINC000437398675 1021796658 /nfs/dbraw/zinc/79/66/58/1021796658.db2.gz YKGUDQXVWIDCEO-UHFFFAOYSA-N -1 0 349.500 3.933 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]c1cnccc1-c1cccc(F)c1 ZINC000439881545 1021796691 /nfs/dbraw/zinc/79/66/91/1021796691.db2.gz WGTIHLDALDZXOK-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM Cc1cccc2sc([N-]S(=O)(=O)c3cccc(F)c3C)nc21 ZINC000437409537 1021804813 /nfs/dbraw/zinc/80/48/13/1021804813.db2.gz KNIJSLPZVGXZPP-UHFFFAOYSA-N -1 0 336.413 3.853 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)N[C@H]1CCCc2sc(Cl)cc21 ZINC000516904634 1021826496 /nfs/dbraw/zinc/82/64/96/1021826496.db2.gz OZVVLUHTTONHKF-LBPRGKRZSA-N -1 0 348.859 3.690 20 0 EHADRM O=C(N[C@H]1C[C@H](c2cccc(Cl)c2)C1)c1cc(F)c([O-])c(F)c1 ZINC000437435015 1021837134 /nfs/dbraw/zinc/83/71/34/1021837134.db2.gz OAHYYSUDMIIADD-MJHDQNEOSA-N -1 0 337.753 4.000 20 0 EHADRM Cc1n[n-]c(=NCc2ccc(-c3ccc4c(c3)CCCO4)cc2)s1 ZINC000607144577 1033010722 /nfs/dbraw/zinc/01/07/22/1033010722.db2.gz ROXOWDDLHXYVJT-UHFFFAOYSA-N -1 0 337.448 3.873 20 0 EHADRM Cc1nc(C)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)s1 ZINC000080972082 1021873283 /nfs/dbraw/zinc/87/32/83/1021873283.db2.gz DXNKEAJRIZVSEA-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1O ZINC000440027028 1021909506 /nfs/dbraw/zinc/90/95/06/1021909506.db2.gz LRYQLNMQMOOKMJ-LJQANCHMSA-N -1 0 347.842 3.849 20 0 EHADRM C/C=C\c1ccc(NS(=O)(=O)c2ccc(OCCOC)cc2)cc1 ZINC000516992647 1021926433 /nfs/dbraw/zinc/92/64/33/1021926433.db2.gz OUVBEUQTGBCOKO-ARJAWSKDSA-N -1 0 347.436 3.546 20 0 EHADRM CC[C@@H](C)[C@H](C(=O)NCCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000327775147 1033017370 /nfs/dbraw/zinc/01/73/70/1033017370.db2.gz WZXBKNLCPAFQGD-BEFAXECRSA-N -1 0 339.435 3.873 20 0 EHADRM CCc1nc(=NCc2ccc(OCCC(C)C)c(OC)c2)s[n-]1 ZINC000426572932 1021951654 /nfs/dbraw/zinc/95/16/54/1021951654.db2.gz IJBRBXWFIJRWSU-UHFFFAOYSA-N -1 0 335.473 3.568 20 0 EHADRM CN(C(=O)c1cccc(Br)c1[O-])[C@@H]1CCc2ccccc21 ZINC000519311956 1022003195 /nfs/dbraw/zinc/00/31/95/1022003195.db2.gz RDZFXEBWTYRKTK-OAHLLOKOSA-N -1 0 346.224 3.914 20 0 EHADRM CC(C)[C@@H](NC(=O)Nc1ccc(SC2CCCC2)cc1)C(=O)[O-] ZINC000517108685 1022034366 /nfs/dbraw/zinc/03/43/66/1022034366.db2.gz KMIHKYIGDWRUPY-OAHLLOKOSA-N -1 0 336.457 3.952 20 0 EHADRM O=S(=O)([N-]c1ccccc1COCc1ccccc1)c1ccco1 ZINC000437664065 1022037741 /nfs/dbraw/zinc/03/77/41/1022037741.db2.gz YJRJUWHEPORNDI-UHFFFAOYSA-N -1 0 343.404 3.797 20 0 EHADRM Cc1c(COc2ccccc2)cccc1[N-]S(=O)(=O)c1ccco1 ZINC000437670647 1022042590 /nfs/dbraw/zinc/04/25/90/1022042590.db2.gz RJCBJMQFUXAAQY-UHFFFAOYSA-N -1 0 343.404 3.968 20 0 EHADRM Cc1noc(C(C)C)c1C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000048460980 1022054212 /nfs/dbraw/zinc/05/42/12/1022054212.db2.gz RCZRFDXVEJZFNZ-UHFFFAOYSA-N -1 0 348.833 3.515 20 0 EHADRM CCc1noc(C)c1CN=c1[n-]nc(-c2ccccc2Cl)s1 ZINC000520258496 1022059128 /nfs/dbraw/zinc/05/91/28/1022059128.db2.gz RQAQVDYLVZMMLV-UHFFFAOYSA-N -1 0 334.832 3.751 20 0 EHADRM CC(C)Cc1ccc(C([O-])=CS(=O)(=O)Cc2ccccc2)cc1 ZINC000517144649 1022067817 /nfs/dbraw/zinc/06/78/17/1022067817.db2.gz NZTDVNOMNRCJHQ-UHFFFAOYSA-N -1 0 330.449 3.683 20 0 EHADRM CCCc1ccc(NC(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])cc1 ZINC000326384502 1022095976 /nfs/dbraw/zinc/09/59/76/1022095976.db2.gz JJQLGNMKSFLPTM-SFHVURJKSA-N -1 0 338.407 3.855 20 0 EHADRM Cc1c(C(=O)Nc2n[nH]c(-c3ccco3)n2)sc2nccc(C)c12 ZINC000347404740 1033029660 /nfs/dbraw/zinc/02/96/60/1033029660.db2.gz WMDDPRXEXIGPJK-UHFFFAOYSA-N -1 0 339.380 3.544 20 0 EHADRM O=S(=O)([N-]c1ncc(Cc2ccccc2)s1)c1ccsc1 ZINC000506824586 1022116089 /nfs/dbraw/zinc/11/60/89/1022116089.db2.gz XWQRGSMQMLHLSG-UHFFFAOYSA-N -1 0 336.463 3.596 20 0 EHADRM CCCc1cc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)n[nH]1 ZINC000506829582 1022124457 /nfs/dbraw/zinc/12/44/57/1022124457.db2.gz BDILMTYMXAFNDW-UHFFFAOYSA-N -1 0 341.436 3.830 20 0 EHADRM Cc1c(F)cccc1-c1ccc(CNCc2nc(C(=O)[O-])cs2)o1 ZINC000426654743 1022153911 /nfs/dbraw/zinc/15/39/11/1022153911.db2.gz AEPFFBAIMQAKGW-UHFFFAOYSA-N -1 0 346.383 3.839 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)C1(c2cccc(Cl)c2)CC1 ZINC000440407083 1022170090 /nfs/dbraw/zinc/17/00/90/1022170090.db2.gz MXFHCRFQPOTCOL-UHFFFAOYSA-N -1 0 349.821 3.889 20 0 EHADRM CC[C@H](C)[C@H]1CCCCN1C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000550323512 1022200240 /nfs/dbraw/zinc/20/02/40/1022200240.db2.gz FCGIHEWJTCGQJA-XJKSGUPXSA-N -1 0 345.418 3.758 20 0 EHADRM CCSc1ccc([C@H](C)N=c2[n-]c(C3CCOCC3)no2)cc1 ZINC000517323643 1022245573 /nfs/dbraw/zinc/24/55/73/1022245573.db2.gz PBQBETXQCSBYCY-LBPRGKRZSA-N -1 0 333.457 3.671 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2nc3cc(Cl)ccc3n2C)cc1 ZINC000517386371 1022298699 /nfs/dbraw/zinc/29/86/99/1022298699.db2.gz MLVRRVZNBMYDPA-UHFFFAOYSA-N -1 0 349.843 3.590 20 0 EHADRM CCOCc1cccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000102320481 1022299311 /nfs/dbraw/zinc/29/93/11/1022299311.db2.gz DLBBRIYXLFOUEA-UHFFFAOYSA-N -1 0 343.807 3.816 20 0 EHADRM COc1cc(CN(C)[C@H](C(=O)[O-])c2ccsc2)ccc1SC ZINC000517575416 1022454344 /nfs/dbraw/zinc/45/43/44/1022454344.db2.gz FHOFIZMBBUSMLP-HNNXBMFYSA-N -1 0 337.466 3.736 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)on2)sc1Cl ZINC000473765350 1022705592 /nfs/dbraw/zinc/70/55/92/1022705592.db2.gz ZEBCGHQLDRLOIF-UHFFFAOYSA-N -1 0 334.850 3.796 20 0 EHADRM CC(C)[C@H]([N-]S(=O)(=O)[C@H](C)C(F)(F)F)c1ccc(Cl)cc1 ZINC000546094569 1022705524 /nfs/dbraw/zinc/70/55/24/1022705524.db2.gz DDFUPPWPTKBEFM-SKDRFNHKSA-N -1 0 343.798 3.907 20 0 EHADRM C[C@@H](CN(C)C(=O)Nc1cc(Cl)ccc1C(C)(C)C)C(=O)[O-] ZINC000669505864 1033077385 /nfs/dbraw/zinc/07/73/85/1033077385.db2.gz MXNAUBGJDIKKSH-JTQLQIEISA-N -1 0 326.824 3.822 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccccc1Cl)c1cccc(Cl)c1 ZINC000048518870 1022798551 /nfs/dbraw/zinc/79/85/51/1022798551.db2.gz ORKVNJUPQOGQNH-UHFFFAOYSA-N -1 0 330.192 3.687 20 0 EHADRM CCOc1ccc(OC)cc1NC(=O)CC1(C(=O)[O-])CCCCCC1 ZINC000517934640 1022844571 /nfs/dbraw/zinc/84/45/71/1022844571.db2.gz YYEWWMYXWLGBMZ-UHFFFAOYSA-N -1 0 349.427 3.848 20 0 EHADRM O=C(NC[C@H](c1ccccc1)C(F)(F)F)c1cc(F)c([O-])c(F)c1 ZINC000188638938 1022870063 /nfs/dbraw/zinc/87/00/63/1022870063.db2.gz BPUKUTSDABLPCW-LLVKDONJSA-N -1 0 345.267 3.746 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)N2CC[C@@H](C(C)C)C2)s[n-]1 ZINC000473825849 1022889967 /nfs/dbraw/zinc/88/99/67/1022889967.db2.gz DAKDKHMAMKHPAJ-LLVKDONJSA-N -1 0 336.486 3.507 20 0 EHADRM CCOc1ccc(S(=O)(=O)C(C)=C([O-])c2cc(C)ccc2C)cc1 ZINC000487388671 1022967797 /nfs/dbraw/zinc/96/77/97/1022967797.db2.gz MJWZPDSLLZAWMW-OAHLLOKOSA-N -1 0 346.448 3.747 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(F)ccc1OC(C)C ZINC000438771295 1022986094 /nfs/dbraw/zinc/98/60/94/1022986094.db2.gz MZTIKCYKEIOWIX-UHFFFAOYSA-N -1 0 341.379 3.861 20 0 EHADRM O=S(=O)([N-]c1nc(Cc2ccccc2)cs1)c1cccs1 ZINC000171155187 1033098101 /nfs/dbraw/zinc/09/81/01/1033098101.db2.gz VTTHFGPLETZGFI-UHFFFAOYSA-N -1 0 336.463 3.596 20 0 EHADRM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000438813517 1023012728 /nfs/dbraw/zinc/01/27/28/1023012728.db2.gz YAEDFHFVISISDX-UHFFFAOYSA-N -1 0 347.436 3.725 20 0 EHADRM O=C([O-])[C@@H]([NH2+]Cc1ccc(Br)cc1)c1cccc(F)c1 ZINC000426762375 1023032767 /nfs/dbraw/zinc/03/27/67/1023032767.db2.gz JSUOAZMXEUEDSB-AWEZNQCLSA-N -1 0 338.176 3.504 20 0 EHADRM O=C([O-])[C@@H](NCc1csc(-c2ccccc2)n1)c1ccc(F)cc1 ZINC000426777891 1023037968 /nfs/dbraw/zinc/03/79/68/1023037968.db2.gz ROFDHKBUNQGESI-INIZCTEOSA-N -1 0 342.395 3.865 20 0 EHADRM CC(C)C[C@H](C(=O)[O-])[S@@](=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000562978608 1023049664 /nfs/dbraw/zinc/04/96/64/1023049664.db2.gz TVBIZTCHBNTGKK-FIKIJFGZSA-N -1 0 342.766 3.966 20 0 EHADRM CC[C@H](C)Oc1cc(C)ccc1CN=c1nc([C@@H](C)OC)[n-]s1 ZINC000509564524 1023064164 /nfs/dbraw/zinc/06/41/64/1023064164.db2.gz SSOZUDCGOKQRJC-QWHCGFSZSA-N -1 0 335.473 3.765 20 0 EHADRM COc1ccc(CN[C@H](C(=O)[O-])c2cccs2)cc1OCC(C)C ZINC000426821857 1023067904 /nfs/dbraw/zinc/06/79/04/1023067904.db2.gz XIQFTIUSCTYDGT-KRWDZBQOSA-N -1 0 349.452 3.707 20 0 EHADRM CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000506995098 1023068548 /nfs/dbraw/zinc/06/85/48/1023068548.db2.gz PPFPACGTJCQNRF-UHFFFAOYSA-N -1 0 340.832 3.713 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)Cc2cccc(C(=O)[O-])c2)c1C ZINC000262063826 1023089079 /nfs/dbraw/zinc/08/90/79/1023089079.db2.gz BZSSARHZQVJKRY-LJQANCHMSA-N -1 0 337.419 3.908 20 0 EHADRM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000509592450 1023095764 /nfs/dbraw/zinc/09/57/64/1023095764.db2.gz AIKWROMFKHMIGZ-LLVKDONJSA-N -1 0 341.379 3.943 20 0 EHADRM C[C@@H]1CCN(c2ccnc3c(Br)cccc23)C[C@@H]1C(=O)[O-] ZINC000518185128 1023112121 /nfs/dbraw/zinc/11/21/21/1023112121.db2.gz KHJZUMNEUIJOBI-PWSUYJOCSA-N -1 0 349.228 3.544 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2CCCC[C@H]2CC)n1 ZINC000438898603 1023131506 /nfs/dbraw/zinc/13/15/06/1023131506.db2.gz ADBINXRATBIHHA-OAHLLOKOSA-N -1 0 327.428 3.545 20 0 EHADRM C[C@H](C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-])c1cc2ccccc2o1 ZINC000346018810 1023150414 /nfs/dbraw/zinc/15/04/14/1023150414.db2.gz BTRMGMCHUBPLKR-ORAYPTAESA-N -1 0 349.386 3.747 20 0 EHADRM COc1cc([C@@H](C)N=c2[n-]nc(C3CC3)o2)ccc1OC1CCCC1 ZINC000341725437 1023194899 /nfs/dbraw/zinc/19/48/99/1023194899.db2.gz ZMFIRVDKBNVSAV-GFCCVEGCSA-N -1 0 343.427 3.872 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@@H]2N=c1[n-]nc(-c2ccon2)s1 ZINC000341727542 1023198166 /nfs/dbraw/zinc/19/81/66/1023198166.db2.gz JOOUNUOUBGQGSY-LBPRGKRZSA-N -1 0 330.413 3.642 20 0 EHADRM O=C([O-])c1cc(/C=C/c2cnn(CC(F)F)c2)nc2ccccc21 ZINC000431160438 1023357192 /nfs/dbraw/zinc/35/71/92/1023357192.db2.gz KYGZXBVQSCVMBJ-AATRIKPKSA-N -1 0 329.306 3.565 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1C ZINC000134767963 1033126279 /nfs/dbraw/zinc/12/62/79/1033126279.db2.gz FBBRLZZVVJIEEP-UHFFFAOYSA-N -1 0 341.791 3.791 20 0 EHADRM CC(C)c1nc(/C=C\c2ccccc2-c2ccnn2C)ncc1C(=O)[O-] ZINC000431163824 1023367994 /nfs/dbraw/zinc/36/79/94/1023367994.db2.gz ZGQMSXAIIGUGCW-HJWRWDBZSA-N -1 0 348.406 3.869 20 0 EHADRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2sccc2C)c1C1CC1 ZINC000535685769 1023564494 /nfs/dbraw/zinc/56/44/94/1023564494.db2.gz LUXGZJCDOPPHLM-NSHDSACASA-N -1 0 339.486 3.902 20 0 EHADRM CCc1cnc(CN(C)C(=O)c2cc(Cl)cc(Cl)c2[O-])s1 ZINC000934043874 1023688094 /nfs/dbraw/zinc/68/80/94/1023688094.db2.gz PTOPTHZTZLUNKE-UHFFFAOYSA-N -1 0 345.251 3.990 20 0 EHADRM O=C([O-])c1ccc2c(c1)nc(/C=C/c1csnn1)n2-c1ccccc1 ZINC000044026679 1023854473 /nfs/dbraw/zinc/85/44/73/1023854473.db2.gz QVLTVPJEKUCHNE-VQHVLOKHSA-N -1 0 348.387 3.746 20 0 EHADRM O=C([O-])CC1(CNC(=O)CCc2cc(Cl)cs2)CCCCC1 ZINC000537475652 1033177652 /nfs/dbraw/zinc/17/76/52/1033177652.db2.gz YZEPTIZVDAVQIJ-UHFFFAOYSA-N -1 0 343.876 3.876 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2nc(C3CC3)cs2)c1Cl ZINC000181132303 1023993339 /nfs/dbraw/zinc/99/33/39/1023993339.db2.gz MIYRXKFQUDFGIA-UHFFFAOYSA-N -1 0 328.846 3.783 20 0 EHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000518824688 1024013639 /nfs/dbraw/zinc/01/36/39/1024013639.db2.gz JFWTVTIQQTWBCD-UHFFFAOYSA-N -1 0 327.352 3.742 20 0 EHADRM Cc1ccc(C[C@@H](C[NH2+]Cc2ncc(C(C)C)s2)C(=O)[O-])cc1 ZINC000417556215 1024030529 /nfs/dbraw/zinc/03/05/29/1024030529.db2.gz GEZGXUSAVKLQLG-HNNXBMFYSA-N -1 0 332.469 3.608 20 0 EHADRM Cc1ccccc1[C@H]1CCCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000262186365 1024047930 /nfs/dbraw/zinc/04/79/30/1024047930.db2.gz MWSCMBLKXVAZJR-LJQANCHMSA-N -1 0 337.419 3.990 20 0 EHADRM O=C(NC[C@@H]1CC[C@@H](O)C1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000191317520 1024056805 /nfs/dbraw/zinc/05/68/05/1024056805.db2.gz CVGOJDIGUZLYMT-IUODEOHRSA-N -1 0 345.826 3.603 20 0 EHADRM C[C@@H](CC(=O)[O-])n1cc(-c2ccc(OC[C@H]3CCCCO3)cc2)cn1 ZINC000657204146 1024081675 /nfs/dbraw/zinc/08/16/75/1024081675.db2.gz VSJIMMJTRXVMHA-KBXCAEBGSA-N -1 0 344.411 3.534 20 0 EHADRM Cc1cc(-c2ccc(C3(C(=O)[O-])CC3)cc2)ccc1O[C@H]1CCOC1 ZINC000657204876 1024088064 /nfs/dbraw/zinc/08/80/64/1024088064.db2.gz WFSIHSJEEAEFMJ-SFHVURJKSA-N -1 0 338.403 3.946 20 0 EHADRM O=C(Nc1ccccc1OCC(F)(F)F)c1cc(F)ccc1O ZINC000093910354 1024100443 /nfs/dbraw/zinc/10/04/43/1024100443.db2.gz XLMPYYJYBBKEGR-UHFFFAOYSA-N -1 0 329.249 3.725 20 0 EHADRM O=C([O-])[C@@H]1CCO[C@H]1c1cncc(-c2ccc(C(F)(F)F)s2)c1 ZINC000657205320 1024111745 /nfs/dbraw/zinc/11/17/45/1024111745.db2.gz NPPNUZBKCDJMOV-MFKMUULPSA-N -1 0 343.326 3.991 20 0 EHADRM COCCCOc1ccc(-c2cccc(O[C@@H](C)C(=O)[O-])c2)cc1 ZINC000657207149 1024114148 /nfs/dbraw/zinc/11/41/48/1024114148.db2.gz JAECZTNIWQMRKO-AWEZNQCLSA-N -1 0 330.380 3.621 20 0 EHADRM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)N=c1cc(C)c(C)n[n-]1 ZINC000467471597 1024132100 /nfs/dbraw/zinc/13/21/00/1024132100.db2.gz BLHCSKHYQRFIJN-ROUUACIJSA-N -1 0 338.455 3.705 20 0 EHADRM Cn1[n-]c(C(=O)N[C@@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)cc1=O ZINC000614593966 1024132295 /nfs/dbraw/zinc/13/22/95/1024132295.db2.gz VQVYQKWDKARYHZ-HUUCEWRRSA-N -1 0 347.846 3.625 20 0 EHADRM FC(F)Oc1cccc(CN=c2[n-]nc(-c3ccccc3)s2)c1 ZINC000522652063 1024148635 /nfs/dbraw/zinc/14/86/35/1024148635.db2.gz JLEANSXVACNDTP-UHFFFAOYSA-N -1 0 333.363 3.841 20 0 EHADRM CC[C@H](Cc1ccc(NCc2cnn(C(C)(C)C)c2)cc1)C(=O)[O-] ZINC000417605817 1024150765 /nfs/dbraw/zinc/15/07/65/1024150765.db2.gz CJCARFNEPKAJBD-MRXNPFEDSA-N -1 0 329.444 3.904 20 0 EHADRM Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C(=O)Nc1cccc(C)c1 ZINC000505431882 1024154477 /nfs/dbraw/zinc/15/44/77/1024154477.db2.gz BFJJWNPPIORQJE-GOSISDBHSA-N -1 0 335.407 3.589 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2cn(C)c3ccccc23)cc1)C(=O)[O-] ZINC000191387140 1024219167 /nfs/dbraw/zinc/21/91/67/1024219167.db2.gz CTTYEFKMOWGFGL-ZDUSSCGKSA-N -1 0 336.391 3.694 20 0 EHADRM C[C@@H](Sc1ccc(NCc2ccc3c(c2)OCCO3)cc1)C(=O)[O-] ZINC000417643793 1024238014 /nfs/dbraw/zinc/23/80/14/1024238014.db2.gz AXMWTANTKBNACY-GFCCVEGCSA-N -1 0 345.420 3.635 20 0 EHADRM O=C1CC[C@@H](c2cccc(N=c3nc(C4CCCCC4)[n-]s3)c2)N1 ZINC000562928098 1033196136 /nfs/dbraw/zinc/19/61/36/1033196136.db2.gz WXJDNYIMRQNOTM-HNNXBMFYSA-N -1 0 342.468 3.702 20 0 EHADRM C[C@H](CC(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1)C(C)(C)C ZINC000391620678 1024260162 /nfs/dbraw/zinc/26/01/62/1024260162.db2.gz MOKBKRSGIJCHLD-OAHLLOKOSA-N -1 0 331.456 3.704 20 0 EHADRM CC1CCC(CC(=O)N=c2nc(Cc3ccccc3)[n-]s2)CC1 ZINC000522336573 1024264564 /nfs/dbraw/zinc/26/45/64/1024264564.db2.gz GPYNUPRPURNNIN-UHFFFAOYSA-N -1 0 329.469 3.706 20 0 EHADRM Cc1c(Cl)cccc1N=c1[n-]nc(SCc2cn[nH]c2)s1 ZINC000505466362 1024281706 /nfs/dbraw/zinc/28/17/06/1024281706.db2.gz GGTGUBUSALUILV-UHFFFAOYSA-N -1 0 337.861 3.681 20 0 EHADRM O=S(=O)([N-]c1cccc2c1CCCC2)c1cc(F)c(F)cc1F ZINC000520635791 1024312370 /nfs/dbraw/zinc/31/23/70/1024312370.db2.gz ABEMDJYFJZLFRR-UHFFFAOYSA-N -1 0 341.354 3.784 20 0 EHADRM COc1cccc(Cl)c1C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000191444669 1024325574 /nfs/dbraw/zinc/32/55/74/1024325574.db2.gz LSPRMUXRJOLZEX-LLVKDONJSA-N -1 0 347.798 3.864 20 0 EHADRM C[C@H](NC(=O)CC1(C(=O)[O-])CCCC1)c1cccc(C(F)(F)F)c1 ZINC000324236758 1024330218 /nfs/dbraw/zinc/33/02/18/1024330218.db2.gz XAACDUBQYVPEKB-NSHDSACASA-N -1 0 343.345 3.918 20 0 EHADRM O=C(N[C@H](C1CC1)C(F)(F)F)c1cc(Cl)cc(Cl)c1[O-] ZINC001141789160 1024417931 /nfs/dbraw/zinc/41/79/31/1024417931.db2.gz UFPOVQFNUPXIGX-SNVBAGLBSA-N -1 0 328.117 3.770 20 0 EHADRM COc1ccc(C(=O)[O-])cc1NCc1ccc(OC(F)(F)F)cc1 ZINC000391687969 1024431341 /nfs/dbraw/zinc/43/13/41/1024431341.db2.gz ZBIVWTQJANKBTF-UHFFFAOYSA-N -1 0 341.285 3.904 20 0 EHADRM C[C@@H]1CCCC[C@H]1C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000425251881 1024510025 /nfs/dbraw/zinc/51/00/25/1024510025.db2.gz YIPUVMZPTWMBHZ-TZMCWYRMSA-N -1 0 339.382 3.594 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N(C)[C@H]2CCc3ccccc32)s1 ZINC000514508196 1024525781 /nfs/dbraw/zinc/52/57/81/1024525781.db2.gz YYTDOWSCTPDQHG-HNNXBMFYSA-N -1 0 344.484 3.844 20 0 EHADRM CC(C)(C)n1cc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cn1 ZINC000065833961 1024552534 /nfs/dbraw/zinc/55/25/34/1024552534.db2.gz LPXVYXXPIIBHFM-UHFFFAOYSA-N -1 0 348.255 3.746 20 0 EHADRM CN(Cc1cccc(F)c1)C(=O)c1cccc(Br)c1[O-] ZINC000520737097 1024575857 /nfs/dbraw/zinc/57/58/57/1024575857.db2.gz VOPAYERJPVBVEV-UHFFFAOYSA-N -1 0 338.176 3.566 20 0 EHADRM CC(C)Oc1c(F)cc(NC(=O)CC2(C(=O)[O-])CCCC2)cc1F ZINC000342262575 1024611605 /nfs/dbraw/zinc/61/16/05/1024611605.db2.gz ZBDIDDUKLYFLFY-UHFFFAOYSA-N -1 0 341.354 3.726 20 0 EHADRM CCC[C@@H]1CCCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000185403079 1024620729 /nfs/dbraw/zinc/62/07/29/1024620729.db2.gz LOVFKTVGDJUZSF-CQSZACIVSA-N -1 0 331.391 3.512 20 0 EHADRM COC(=O)c1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)[O-])[nH]1 ZINC000435157453 1024653579 /nfs/dbraw/zinc/65/35/79/1024653579.db2.gz CATBGJFZFWIICC-ZHACJKMWSA-N -1 0 348.358 3.535 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2cccc(C)c2Br)c1 ZINC000435143901 1024659086 /nfs/dbraw/zinc/65/90/86/1024659086.db2.gz XLKGEPAYXJWZJG-UHFFFAOYSA-N -1 0 340.242 3.867 20 0 EHADRM C[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)Nc1ccc2[nH]ccc2c1 ZINC000514707191 1024684515 /nfs/dbraw/zinc/68/45/15/1024684515.db2.gz NUJBIVCUNKWJCF-ZDUSSCGKSA-N -1 0 337.379 3.848 20 0 EHADRM O=S(=O)([N-]c1ccc(C(F)(F)F)cn1)c1ccc(C2CC2)cc1 ZINC000514711216 1024688546 /nfs/dbraw/zinc/68/85/46/1024688546.db2.gz BCICPGNBNCPVRX-UHFFFAOYSA-N -1 0 342.342 3.779 20 0 EHADRM CCCC[C@@H](CC)CC(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000262578049 1033231924 /nfs/dbraw/zinc/23/19/24/1033231924.db2.gz PEGRMVGOTRYFIT-NWDGAFQWSA-N -1 0 326.462 3.933 20 0 EHADRM Cc1cc2c(cc1[N-]S(=O)(=O)c1csc3ccccc31)OCO2 ZINC000507885234 1024749828 /nfs/dbraw/zinc/74/98/28/1024749828.db2.gz CYBNGEDWKVJXOM-UHFFFAOYSA-N -1 0 347.417 3.739 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cc(C)ccc2Cl)cnn1CC(C)C ZINC000346485745 1024793407 /nfs/dbraw/zinc/79/34/07/1024793407.db2.gz PUBOXRUNXJUMJO-UHFFFAOYSA-N -1 0 341.864 3.610 20 0 EHADRM O=C(Nc1ccc(Oc2cccc(F)c2F)nc1)c1ncccc1[O-] ZINC000427784164 1024793530 /nfs/dbraw/zinc/79/35/30/1024793530.db2.gz XTJUXCYAUOZCOA-UHFFFAOYSA-N -1 0 343.289 3.505 20 0 EHADRM COc1ccc(-c2nnsc2Nc2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001211537290 1024883256 /nfs/dbraw/zinc/88/32/56/1024883256.db2.gz BRKKSWXRFAOUJF-UHFFFAOYSA-N -1 0 341.392 3.964 20 0 EHADRM Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)CC(C)(C)C(=O)[O-] ZINC000435416418 1024895064 /nfs/dbraw/zinc/89/50/64/1024895064.db2.gz GVOLCVDNUFLQCJ-GFCCVEGCSA-N -1 0 331.334 3.606 20 0 EHADRM Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)CC(C)(C)C(=O)[O-] ZINC000435416419 1024895618 /nfs/dbraw/zinc/89/56/18/1024895618.db2.gz GVOLCVDNUFLQCJ-LBPRGKRZSA-N -1 0 331.334 3.606 20 0 EHADRM Cc1cc(Nc2ccc(F)nc2Br)cc(C(=O)[O-])c1 ZINC001211537440 1024902231 /nfs/dbraw/zinc/90/22/31/1024902231.db2.gz JQVOITIKFUQABE-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM O=S(=O)([N-]c1cc(C2CCCCC2)[nH]n1)c1ccc(F)cc1F ZINC000474412613 1024904006 /nfs/dbraw/zinc/90/40/06/1024904006.db2.gz NPUWBSDCDFEAOS-UHFFFAOYSA-N -1 0 341.383 3.536 20 0 EHADRM CC(C)CCc1noc(CN2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])n1 ZINC000514952082 1024928026 /nfs/dbraw/zinc/92/80/26/1024928026.db2.gz SJJZWTGAGFTQFA-HZPDHXFCSA-N -1 0 349.475 3.514 20 0 EHADRM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)CC1(C(=O)[O-])CCC1 ZINC000262725048 1033248275 /nfs/dbraw/zinc/24/82/75/1033248275.db2.gz GHHYGNBEKCFGOY-GFCCVEGCSA-N -1 0 338.473 3.739 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N2CC[C@@H](c3ccccc3C)C2)s1 ZINC000508218789 1024967802 /nfs/dbraw/zinc/96/78/02/1024967802.db2.gz ZHXMTALUUNVBNQ-CQSZACIVSA-N -1 0 344.484 3.632 20 0 EHADRM CCCN(C(=O)N[C@@H](C)c1cc(C)sc1C)[C@H](CC)C(=O)[O-] ZINC000684720856 1024979031 /nfs/dbraw/zinc/97/90/31/1024979031.db2.gz MRSYZTPAIYAKHR-SMDDNHRTSA-N -1 0 326.462 3.711 20 0 EHADRM COc1cc(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)ccc1F ZINC000190898044 1025007291 /nfs/dbraw/zinc/00/72/91/1025007291.db2.gz TWTXDKBDQHGMQY-UHFFFAOYSA-N -1 0 345.351 4.000 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)CCc3cncc(F)c3)ccc2s1 ZINC000190900564 1025014183 /nfs/dbraw/zinc/01/41/83/1025014183.db2.gz XPWVLLNYFJMJTE-UHFFFAOYSA-N -1 0 344.367 3.705 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)N1CCCCC[C@@H]1C(=O)[O-] ZINC000684725435 1025050380 /nfs/dbraw/zinc/05/03/80/1025050380.db2.gz HBJXHWDCHWBEIC-NVXWUHKLSA-N -1 0 346.471 3.782 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)N[C@H]1CCCc2sccc21)C(=O)[O-] ZINC000684729525 1025075668 /nfs/dbraw/zinc/07/56/68/1025075668.db2.gz YQTWZKZTLKWGAS-STQMWFEESA-N -1 0 338.473 3.704 20 0 EHADRM CN(C(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(F)c(Cl)c1 ZINC000346742265 1025078164 /nfs/dbraw/zinc/07/81/64/1025078164.db2.gz FVKSNWXGXQTZJU-UHFFFAOYSA-N -1 0 330.746 3.597 20 0 EHADRM CCCn1ccc2cc(NC(=O)N3CC[C@@H](C)C[C@H]3C(=O)[O-])ccc21 ZINC000582040870 1025078667 /nfs/dbraw/zinc/07/86/67/1025078667.db2.gz XMDFWPZNHHNJES-DYVFJYSZSA-N -1 0 343.427 3.768 20 0 EHADRM Cc1cccc(/C=C2/CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)c1C ZINC000520860889 1025096655 /nfs/dbraw/zinc/09/66/55/1025096655.db2.gz XHMYBVZKRBENBY-GDNBJRDFSA-N -1 0 346.386 3.656 20 0 EHADRM CCCOc1ccc(S(=O)(=O)[N-]c2c(C)cccc2OC)cc1 ZINC000435719697 1025105604 /nfs/dbraw/zinc/10/56/04/1025105604.db2.gz PFDNDGLFGISSIW-UHFFFAOYSA-N -1 0 335.425 3.593 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000366890410 1025110680 /nfs/dbraw/zinc/11/06/80/1025110680.db2.gz DCGRQQLEKMIJBU-WBVHZDCISA-N -1 0 346.430 3.936 20 0 EHADRM Cc1cccc(C(=O)Nc2ccc(OCC(=O)[O-])cc2C)c1Cl ZINC000190947466 1025128668 /nfs/dbraw/zinc/12/86/68/1025128668.db2.gz PVGRPSFBHNRGAJ-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)N[C@@H](C)c1c(F)cccc1Cl ZINC000684739324 1025147354 /nfs/dbraw/zinc/14/73/54/1025147354.db2.gz KXSKQROBZMTOEI-GWCFXTLKSA-N -1 0 344.814 3.681 20 0 EHADRM COc1cccc(-n2nc(C)cc2Nc2cc(C)cc(C(=O)[O-])c2)c1 ZINC001211539279 1025169384 /nfs/dbraw/zinc/16/93/84/1025169384.db2.gz PCRXMCFEJUKCSY-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2cccc(-c3nccs3)c2)[C@@H](C(=O)[O-])C1 ZINC000684745446 1025215116 /nfs/dbraw/zinc/21/51/16/1025215116.db2.gz JVUABNOJHZWRQQ-SMDDNHRTSA-N -1 0 345.424 3.527 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ncc(-c3ccccc3)s2)[C@@H](C(=O)[O-])C1 ZINC000521168744 1025245142 /nfs/dbraw/zinc/24/51/42/1025245142.db2.gz CENRCIRPACSILL-WCQYABFASA-N -1 0 345.424 3.527 20 0 EHADRM CCCn1ccc2ccc(NC(=O)N3CCC[C@@]3(C)C(=O)[O-])cc21 ZINC000684749244 1025252829 /nfs/dbraw/zinc/25/28/29/1025252829.db2.gz YKMYSAXVXVFKLI-SFHVURJKSA-N -1 0 329.400 3.522 20 0 EHADRM CC(C)(CCO)CN=c1[n-]nc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000444069918 1025288619 /nfs/dbraw/zinc/28/86/19/1025288619.db2.gz IZHPRSZDKYGNRE-UHFFFAOYSA-N -1 0 346.283 3.754 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cc1)c1cnc(-c2ccccc2)nc1 ZINC000436005815 1025302256 /nfs/dbraw/zinc/30/22/56/1025302256.db2.gz IBMGSDOVOKUJEZ-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM Cc1cc(-c2n[n-]c(=NCc3cc4c(cccc4F)[nH]3)o2)c(C)o1 ZINC000436015152 1025316685 /nfs/dbraw/zinc/31/66/85/1025316685.db2.gz VCAJVQZJDFGBPX-UHFFFAOYSA-N -1 0 326.331 3.601 20 0 EHADRM COc1ccc(NC(=O)c2ccc(COC(C)C)cc2)c(C(=O)[O-])c1 ZINC000262163986 1025397526 /nfs/dbraw/zinc/39/75/26/1025397526.db2.gz HCKBQFQZNUHSRO-UHFFFAOYSA-N -1 0 343.379 3.571 20 0 EHADRM CCc1oc2ccccc2c1CN=c1[n-]nc(-c2c[nH]nc2C)s1 ZINC000436154122 1025421710 /nfs/dbraw/zinc/42/17/10/1025421710.db2.gz QFEKSUDBTJPPHY-UHFFFAOYSA-N -1 0 339.424 3.579 20 0 EHADRM O=S(=O)([N-]c1cccc2ncccc12)c1cnc2ccsc2c1 ZINC000342434201 1025452123 /nfs/dbraw/zinc/45/21/23/1025452123.db2.gz ULXDCDUFFWXPGI-UHFFFAOYSA-N -1 0 341.417 3.645 20 0 EHADRM CCCC[C@H](Nc1ncc(F)c(Oc2ccccc2F)n1)C(=O)[O-] ZINC000530250513 1025560398 /nfs/dbraw/zinc/56/03/98/1025560398.db2.gz AMWYTNIMTNOXIE-LBPRGKRZSA-N -1 0 337.326 3.602 20 0 EHADRM CC1(C)CN(C(=O)c2ccc(Cl)c(Cl)c2[O-])[C@@H]2CCC[C@H]2O1 ZINC000442941525 1025610487 /nfs/dbraw/zinc/61/04/87/1025610487.db2.gz WYCBCHCQRCSQCZ-VXGBXAGGSA-N -1 0 344.238 3.871 20 0 EHADRM CC(C)C[C@H](NC(=O)NC[C@H](C(=O)[O-])C1CCC1)c1cccs1 ZINC000665301635 1025635603 /nfs/dbraw/zinc/63/56/03/1025635603.db2.gz CARLESZLQCBCRI-KBPBESRZSA-N -1 0 338.473 3.635 20 0 EHADRM CC(C)c1ccc(C(=O)N2CCCC[C@H]2c2n[nH]c(=O)[n-]2)cc1Cl ZINC000329182685 1025650476 /nfs/dbraw/zinc/65/04/76/1025650476.db2.gz OQCYGQYJRCBSDT-AWEZNQCLSA-N -1 0 348.834 3.655 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)Cc2cccc(C(F)F)c2)C1 ZINC000909494654 1025665038 /nfs/dbraw/zinc/66/50/38/1025665038.db2.gz DJKIZYNFXXBWFP-CQSZACIVSA-N -1 0 339.382 3.516 20 0 EHADRM COCCCCN=c1[n-]nc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000444119832 1025672303 /nfs/dbraw/zinc/67/23/03/1025672303.db2.gz SIBMSGPAPGJBQS-UHFFFAOYSA-N -1 0 332.256 3.772 20 0 EHADRM CCCC[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000347262036 1025758366 /nfs/dbraw/zinc/75/83/66/1025758366.db2.gz OSAIFWJSWQKXMC-RNCFNFMXSA-N -1 0 348.226 3.520 20 0 EHADRM Cc1nc2c(cccc2-c2noc(-c3ccc([O-])c(Cl)c3)n2)[nH]1 ZINC000436520411 1025820539 /nfs/dbraw/zinc/82/05/39/1025820539.db2.gz FZHZVRZAIKZDHX-UHFFFAOYSA-N -1 0 326.743 3.947 20 0 EHADRM O=C(Nc1ccc(Oc2cccnc2)nc1)c1cc(Cl)ccc1[O-] ZINC000436521699 1025820670 /nfs/dbraw/zinc/82/06/70/1025820670.db2.gz OMELYVSWJCMASA-UHFFFAOYSA-N -1 0 341.754 3.880 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000436522512 1025825378 /nfs/dbraw/zinc/82/53/78/1025825378.db2.gz LVYUCUTZZYQLII-AWEZNQCLSA-N -1 0 331.362 3.765 20 0 EHADRM Cc1cc(N(C)C)ccc1NC(=O)c1ccc(Br)cc1[O-] ZINC000436526917 1025832158 /nfs/dbraw/zinc/83/21/58/1025832158.db2.gz JTMOVTVLXNGAKT-UHFFFAOYSA-N -1 0 349.228 3.781 20 0 EHADRM CCC(=O)Nc1ccc(C)c(NC(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000436536317 1025846112 /nfs/dbraw/zinc/84/61/12/1025846112.db2.gz PTCCXEJQXNBVPP-UHFFFAOYSA-N -1 0 334.322 3.580 20 0 EHADRM C[C@@H]1C[C@@H]1[C@@H](NC(=O)C(=O)c1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000436518481 1025849961 /nfs/dbraw/zinc/84/99/61/1025849961.db2.gz YNDWJHNPDISZJR-NVGVWMPQSA-N -1 0 343.810 3.742 20 0 EHADRM O=C(N=c1[n-]nc(C2CC2)s1)N1CCCC2(CCCCC2)CC1 ZINC000522051493 1025905192 /nfs/dbraw/zinc/90/51/92/1025905192.db2.gz ASRRCVGHCYYUAL-UHFFFAOYSA-N -1 0 334.489 3.806 20 0 EHADRM C[C@@H]1CN(C)c2ccccc2N(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000436593690 1025911447 /nfs/dbraw/zinc/91/14/47/1025911447.db2.gz FYQJDNOBGRXBHD-GFCCVEGCSA-N -1 0 330.815 3.778 20 0 EHADRM C[C@@H](CCc1cccn1C)NC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000436590090 1025930276 /nfs/dbraw/zinc/93/02/76/1025930276.db2.gz LYWAYOZQOKOEDR-JTQLQIEISA-N -1 0 341.238 3.789 20 0 EHADRM COc1cc(F)cc(CNC(=O)c2c([O-])cc(Cl)cc2Cl)c1 ZINC000436618001 1025948542 /nfs/dbraw/zinc/94/85/42/1025948542.db2.gz MEVXUOUEQLNKDC-UHFFFAOYSA-N -1 0 344.169 3.777 20 0 EHADRM CC(C)(C)c1nnc(NC(=O)c2cc(F)cc(Cl)c2[O-])s1 ZINC000436635790 1025965316 /nfs/dbraw/zinc/96/53/16/1025965316.db2.gz RJPVYNLZERCYSS-UHFFFAOYSA-N -1 0 329.784 3.586 20 0 EHADRM C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436621450 1025971751 /nfs/dbraw/zinc/97/17/51/1025971751.db2.gz DITNXGFAKJEYHU-XVKPBYJWSA-N -1 0 339.716 3.988 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cccc([C@H]3CCOC3)c2)c1 ZINC000436651747 1025976516 /nfs/dbraw/zinc/97/65/16/1025976516.db2.gz HPPVEFMIVMCIEE-INIZCTEOSA-N -1 0 339.391 3.741 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CCC(=O)c2cccc(F)c2)c1 ZINC000436652070 1025978143 /nfs/dbraw/zinc/97/81/43/1025978143.db2.gz ZRXQUHVNMQVIJZ-UHFFFAOYSA-N -1 0 343.354 3.726 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(COC(C)(C)C)on2)c1 ZINC000436655177 1025986091 /nfs/dbraw/zinc/98/60/91/1025986091.db2.gz FFJOSIHFKUYEEC-UHFFFAOYSA-N -1 0 346.383 3.540 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)COc2ccc(Cl)c(C)c2)c1 ZINC000436645765 1025993189 /nfs/dbraw/zinc/99/31/89/1025993189.db2.gz MUVXVORJCZRBSQ-UHFFFAOYSA-N -1 0 347.798 3.964 20 0 EHADRM CCc1cccnc1[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000443414708 1026003964 /nfs/dbraw/zinc/00/39/64/1026003964.db2.gz CWSVLXYRRZDLFT-UHFFFAOYSA-N -1 0 348.321 3.603 20 0 EHADRM CC(C)c1cccnc1[N-]S(=O)(=O)c1cnc2ccsc2c1 ZINC000443415150 1026006788 /nfs/dbraw/zinc/00/67/88/1026006788.db2.gz FFAKDFQRJJWLAY-UHFFFAOYSA-N -1 0 333.438 3.616 20 0 EHADRM CCCc1nc(=NC(=O)N(Cc2ccccc2)[C@@H](C)CC)s[n-]1 ZINC000516119580 1026008391 /nfs/dbraw/zinc/00/83/91/1026008391.db2.gz VYCFHRFFCCOFJE-ZDUSSCGKSA-N -1 0 332.473 3.745 20 0 EHADRM COc1ccc(C(=O)Nc2ccc3[nH]c(-c4ccco4)nc3c2)c(O)c1 ZINC000436673891 1026015155 /nfs/dbraw/zinc/01/51/55/1026015155.db2.gz QDOXXNJMQRCHPG-UHFFFAOYSA-N -1 0 349.346 3.789 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CCc2c[nH]c3ccc(C)cc23)c1 ZINC000436677005 1026026537 /nfs/dbraw/zinc/02/65/37/1026026537.db2.gz VJZRJACFYJEVHB-UHFFFAOYSA-N -1 0 336.391 3.956 20 0 EHADRM Cc1n[n-]c(=NCc2nc(-c3ccc(Cl)cc3)c(C)s2)s1 ZINC000443436511 1026041843 /nfs/dbraw/zinc/04/18/43/1026041843.db2.gz JXSWXKCWXZREIW-UHFFFAOYSA-N -1 0 336.873 3.966 20 0 EHADRM O=S(=O)([N-]c1cccc(F)c1)c1ccc(F)cc1C(F)(F)F ZINC000103057725 1026041962 /nfs/dbraw/zinc/04/19/62/1026041962.db2.gz BNQLHGKYKJMSNO-UHFFFAOYSA-N -1 0 337.269 3.784 20 0 EHADRM O=C([O-])c1cnc(-c2ccccc2)nc1/C=C/c1ccn(C(F)F)n1 ZINC000443439757 1026043648 /nfs/dbraw/zinc/04/36/48/1026043648.db2.gz HPJXZFYGODBRNP-VOTSOKGWSA-N -1 0 342.305 3.604 20 0 EHADRM COCCN(C[C@@H]1CC=CCC1)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436688670 1026044710 /nfs/dbraw/zinc/04/47/10/1026044710.db2.gz UQPBHOFYYPZSFH-GFCCVEGCSA-N -1 0 341.810 3.630 20 0 EHADRM O=C([O-])c1cnc(-c2ccccc2)nc1/C=C/c1cc(O)cc(F)c1 ZINC000443444465 1026050488 /nfs/dbraw/zinc/05/04/88/1026050488.db2.gz KFKWVGLMJHYXCX-VOTSOKGWSA-N -1 0 336.322 3.857 20 0 EHADRM CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000614731586 1026077148 /nfs/dbraw/zinc/07/71/48/1026077148.db2.gz BRRCHDAKTCTOFC-UHFFFAOYSA-N -1 0 347.436 3.723 20 0 EHADRM Cc1cc(NC(=O)c2cc(Cl)cc(Br)c2[O-])sn1 ZINC000436712097 1026078006 /nfs/dbraw/zinc/07/80/06/1026078006.db2.gz DVAXQIKPDZXKMO-UHFFFAOYSA-N -1 0 347.621 3.825 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1cc(Br)ccc1O ZINC000436711734 1026078853 /nfs/dbraw/zinc/07/88/53/1026078853.db2.gz KPFCUMWLDMSGSH-UHFFFAOYSA-N -1 0 342.576 3.766 20 0 EHADRM Cc1cc2cc(CNC(=O)c3cc(F)c([O-])c(Cl)c3)ccc2[nH]1 ZINC000436714647 1026081741 /nfs/dbraw/zinc/08/17/41/1026081741.db2.gz MUAPOKYZFMNCRU-UHFFFAOYSA-N -1 0 332.762 3.904 20 0 EHADRM Cc1ccc(C)c([N-]S(=O)(=O)c2sccc2Br)c1 ZINC000042350421 1026082167 /nfs/dbraw/zinc/08/21/67/1026082167.db2.gz VTWRGGGQBIKLIK-UHFFFAOYSA-N -1 0 346.271 3.928 20 0 EHADRM CC(C)C(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2[O-])c1 ZINC000436724244 1026099713 /nfs/dbraw/zinc/09/97/13/1026099713.db2.gz YOBFKCPYJPCKMS-UHFFFAOYSA-N -1 0 332.787 3.892 20 0 EHADRM CCOc1cccc([C@H]2C[C@H]2NC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000436737894 1026104114 /nfs/dbraw/zinc/10/41/14/1026104114.db2.gz KINGUKSOSNDZQX-GDBMZVCRSA-N -1 0 331.799 3.730 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)CC3(C(=O)[O-])CCC3)c2)oc1C ZINC000262424692 1026121619 /nfs/dbraw/zinc/12/16/19/1026121619.db2.gz BAXHXDXJPHINKP-UHFFFAOYSA-N -1 0 328.368 3.542 20 0 EHADRM CCN(CCOC)C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436759246 1026130107 /nfs/dbraw/zinc/13/01/07/1026130107.db2.gz VKBWGYHBVHZCTC-UHFFFAOYSA-N -1 0 333.815 3.821 20 0 EHADRM CCC(CC)(NC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000342531972 1026140752 /nfs/dbraw/zinc/14/07/52/1026140752.db2.gz UPUZUDBEQKXRBN-NEPJUHHUSA-N -1 0 343.345 3.569 20 0 EHADRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C3CC3)[nH]n2)c1 ZINC000559963646 1026153525 /nfs/dbraw/zinc/15/35/25/1026153525.db2.gz UUJPLTYCSAPRQQ-UHFFFAOYSA-N -1 0 339.848 3.694 20 0 EHADRM O=S(=O)([N-]c1ccc2[nH]ccc2c1)c1c(Cl)ccc(F)c1F ZINC000560007772 1026214631 /nfs/dbraw/zinc/21/46/31/1026214631.db2.gz UFDBRBUDJQYEFO-UHFFFAOYSA-N -1 0 342.754 3.900 20 0 EHADRM COCc1cccc(NC(=O)c2ccc(C(F)(F)F)c(O)c2)c1 ZINC000684870398 1026252539 /nfs/dbraw/zinc/25/25/39/1026252539.db2.gz FDTNNJPGIHUFHJ-UHFFFAOYSA-N -1 0 325.286 3.810 20 0 EHADRM Cc1ccc(C)c(OCC(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)c1 ZINC000324732672 1026269424 /nfs/dbraw/zinc/26/94/24/1026269424.db2.gz KCDRASZIOINONA-UHFFFAOYSA-N -1 0 327.380 3.636 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)N=c1ccc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000543848861 1026281051 /nfs/dbraw/zinc/28/10/51/1026281051.db2.gz XCCAQJGHTXQPEC-XHDPSFHLSA-N -1 0 337.345 3.686 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc(COC3CCCC3)cc2)CCC1 ZINC000262439569 1026304468 /nfs/dbraw/zinc/30/44/68/1026304468.db2.gz CPBPEMKQGFVSCW-UHFFFAOYSA-N -1 0 331.412 3.729 20 0 EHADRM Cc1ncccc1[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000530802703 1026305379 /nfs/dbraw/zinc/30/53/79/1026305379.db2.gz RMQHPJZBVWPDNR-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM O=c1[n-]nc(OC2CCC(C(F)(F)F)CC2)c(Cl)c1Cl ZINC001227601780 1026345982 /nfs/dbraw/zinc/34/59/82/1026345982.db2.gz GXDFSWZWGSYOHL-UHFFFAOYSA-N -1 0 331.121 3.989 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H](C)OCCc2ccccc2)c1 ZINC000451883151 1026351873 /nfs/dbraw/zinc/35/18/73/1026351873.db2.gz DWJWVUBOVGKYDY-AWEZNQCLSA-N -1 0 341.407 3.571 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)s1 ZINC000192846949 1026403788 /nfs/dbraw/zinc/40/37/88/1026403788.db2.gz WGXKOJDGGYXUBU-CYBMUJFWSA-N -1 0 335.400 3.956 20 0 EHADRM Clc1ccccc1[C@@H](CN=c1nc(C2CC2)[n-]s1)N1CCCC1 ZINC000530934124 1026417823 /nfs/dbraw/zinc/41/78/23/1026417823.db2.gz KINLFKBEAMAASH-OAHLLOKOSA-N -1 0 348.903 3.740 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000237454885 1026433066 /nfs/dbraw/zinc/43/30/66/1026433066.db2.gz BNOGKOMNFCDMOQ-FUHWJXTLSA-N -1 0 339.435 3.548 20 0 EHADRM O=C(NCc1ccc2c(c1)CCO2)c1c([O-])cc(Cl)cc1Cl ZINC000530950923 1026439838 /nfs/dbraw/zinc/43/98/38/1026439838.db2.gz WLQAWYJIFFNHFD-UHFFFAOYSA-N -1 0 338.190 3.564 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nc(C3CC3)cs2)c2cccnc12 ZINC000582505629 1026451446 /nfs/dbraw/zinc/45/14/46/1026451446.db2.gz FQDYHHPQVIVQML-UHFFFAOYSA-N -1 0 345.449 3.678 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCc1ccc(Cl)s1 ZINC000262492657 1026625809 /nfs/dbraw/zinc/62/58/09/1026625809.db2.gz ZRYLMYCCDMOLER-WXHSDQCUSA-N -1 0 341.860 3.578 20 0 EHADRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2nc(C3CC3)sc2c1 ZINC000063879359 1026687536 /nfs/dbraw/zinc/68/75/36/1026687536.db2.gz OVHFDSRIWPWMAF-UHFFFAOYSA-N -1 0 349.437 3.579 20 0 EHADRM Fc1cccc(F)c1C1(CN=c2[n-]nc(C(F)F)s2)CCC1 ZINC000413514475 1026909841 /nfs/dbraw/zinc/90/98/41/1026909841.db2.gz LNGGCLWYHVYKOW-UHFFFAOYSA-N -1 0 331.338 3.710 20 0 EHADRM C[C@@H](Oc1ccc(-c2cccc(CO[C@@H]3CCOC3)c2)cc1)C(=O)[O-] ZINC000582676991 1026918505 /nfs/dbraw/zinc/91/85/05/1026918505.db2.gz JVCQMJVWWMVULR-AUUYWEPGSA-N -1 0 342.391 3.511 20 0 EHADRM CCCOCCOc1cccc(-c2ccc(F)cc2CC(=O)[O-])c1 ZINC000563436808 1026946875 /nfs/dbraw/zinc/94/68/75/1026946875.db2.gz QMNTUKFHPRACFH-UHFFFAOYSA-N -1 0 332.371 3.925 20 0 EHADRM Cc1ccc(C2(CNC(=O)c3cc(F)c(F)c([O-])c3F)CC2)c(C)c1 ZINC000452728623 1026952016 /nfs/dbraw/zinc/95/20/16/1026952016.db2.gz IYZZJMQXPBNJCO-UHFFFAOYSA-N -1 0 349.352 3.888 20 0 EHADRM CCC(CC)(CC(=O)N[C@@H]1CCCO[C@H]1c1ccc(C)cc1)C(=O)[O-] ZINC000074797406 1027077440 /nfs/dbraw/zinc/07/74/40/1027077440.db2.gz OMYOLMOGAMRURA-AEFFLSMTSA-N -1 0 347.455 3.612 20 0 EHADRM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000614738267 1027229972 /nfs/dbraw/zinc/22/99/72/1027229972.db2.gz XDEYMXIWWVIVLD-UHFFFAOYSA-N -1 0 349.452 3.900 20 0 EHADRM CCc1cc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(OC)c2)sc1C ZINC000531745772 1027300896 /nfs/dbraw/zinc/30/08/96/1027300896.db2.gz QSKWSIIYORCZRU-HNNXBMFYSA-N -1 0 347.436 3.573 20 0 EHADRM Cc1cc(-c2n[n-]c(=Nc3cnn(C(C)C)c3)n2C(C)C)c(C)o1 ZINC000582736034 1027342185 /nfs/dbraw/zinc/34/21/85/1027342185.db2.gz RQUUNFNTOVXMHP-UHFFFAOYSA-N -1 0 328.420 3.679 20 0 EHADRM Cc1nc2cc(NC(=O)c3cc(F)cc(Cl)c3[O-])ccc2n1C ZINC000531773271 1027355280 /nfs/dbraw/zinc/35/52/80/1027355280.db2.gz NOCSNWAHIBMYKE-UHFFFAOYSA-N -1 0 333.750 3.632 20 0 EHADRM CC(C)[C@@H]1CCN(C(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000531774856 1027360417 /nfs/dbraw/zinc/36/04/17/1027360417.db2.gz BXWSLQWOEWIOBY-SECBINFHSA-N -1 0 346.652 3.926 20 0 EHADRM O=C([O-])[C@]1(C(F)(F)F)CCN(C(=O)CCCC2CCCCC2)C1 ZINC000261815666 1027376102 /nfs/dbraw/zinc/37/61/02/1027376102.db2.gz WEMCJPPMBUBGPF-HNNXBMFYSA-N -1 0 335.366 3.603 20 0 EHADRM CC1(c2ccccc2)CC(NC(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000273382476 1027402782 /nfs/dbraw/zinc/40/27/82/1027402782.db2.gz CURDJGSGZLDZRX-UHFFFAOYSA-N -1 0 335.325 3.660 20 0 EHADRM Cc1cc(C)c(NS(=O)(=O)c2ccc3c(c2)CCCC3)c(C)n1 ZINC000414453609 1027513573 /nfs/dbraw/zinc/51/35/73/1027513573.db2.gz DHBUZICTEUNSTG-UHFFFAOYSA-N -1 0 330.453 3.686 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cc(C)sc2C)c2cccnc12 ZINC000129615416 1027583897 /nfs/dbraw/zinc/58/38/97/1027583897.db2.gz XODJGVXZBAMJKK-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM CO[C@H](C)c1nc(C)c(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)s1 ZINC000414462477 1027641536 /nfs/dbraw/zinc/64/15/36/1027641536.db2.gz ZPPSOXGCBRNXMM-GXSJLCMTSA-N -1 0 348.424 3.599 20 0 EHADRM C[C@@H]1C[C@@H]1[C@H](NC(=O)CC1(C(=O)[O-])CCC1)c1ccc(Cl)cc1 ZINC000262528350 1027687064 /nfs/dbraw/zinc/68/70/64/1027687064.db2.gz PBDFQHUNGKGDLA-DIOULYMOSA-N -1 0 335.831 3.798 20 0 EHADRM CCc1ccc(CCC(=O)N[C@H](C)c2nc(C)c(C(=O)[O-])s2)cc1 ZINC000237166198 1028122256 /nfs/dbraw/zinc/12/22/56/1028122256.db2.gz AHJZLENAGMHCIV-GFCCVEGCSA-N -1 0 346.452 3.522 20 0 EHADRM CC(C)(C)Nc1ccccc1[N-]S(=O)(=O)c1cccc2c1OCC2 ZINC000421163728 1028143784 /nfs/dbraw/zinc/14/37/84/1028143784.db2.gz IXLVJLGGKUKZFS-UHFFFAOYSA-N -1 0 346.452 3.633 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(c2ncnc3ccccc32)CC1 ZINC000582907355 1028225948 /nfs/dbraw/zinc/22/59/48/1028225948.db2.gz CJVWNIAEQUANEW-UHFFFAOYSA-N -1 0 347.418 3.787 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H]1C(=O)Nc1cccc(Cl)c1Br ZINC000236461330 1028350862 /nfs/dbraw/zinc/35/08/62/1028350862.db2.gz WAWIIHSYGDPSJE-SFYZADRCSA-N -1 0 346.608 3.542 20 0 EHADRM COc1ccccc1[C@@H](C)SCc1nc(=O)c2sccc2[n-]1 ZINC000079010942 1028407010 /nfs/dbraw/zinc/40/70/10/1028407010.db2.gz VSOARVNVUPOQHE-SNVBAGLBSA-N -1 0 332.450 3.988 20 0 EHADRM O=S(=O)([N-]c1nccs1)c1ccc(Cl)cc1C(F)(F)F ZINC000060486762 1028412335 /nfs/dbraw/zinc/41/23/35/1028412335.db2.gz RCUKJCLGYCHCBC-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM Cc1ccc(C(=O)NC2CC2)cc1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211969501 1028435498 /nfs/dbraw/zinc/43/54/98/1028435498.db2.gz MUZDPXYTJDOATE-UHFFFAOYSA-N -1 0 344.798 3.982 20 0 EHADRM O=C(N[C@@H](c1ccccc1)c1ccncc1)c1ccc([O-])c(Cl)c1 ZINC000072627761 1028508333 /nfs/dbraw/zinc/50/83/33/1028508333.db2.gz DPUHEEFJRAHQFO-SFHVURJKSA-N -1 0 338.794 3.960 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)N[C@@H]1CCCc2sccc21)c1ccsc1 ZINC000634830066 1028533651 /nfs/dbraw/zinc/53/36/51/1028533651.db2.gz NYJBEVFREQZDBR-CXAGYDPISA-N -1 0 349.477 3.736 20 0 EHADRM O=C(c1nn(-c2ccccc2)cc1[O-])N1CCC[C@@H]1c1ccccc1 ZINC000073323099 1028551601 /nfs/dbraw/zinc/55/16/01/1028551601.db2.gz JAPDNMBTXDOIQE-QGZVFWFLSA-N -1 0 333.391 3.555 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000236673672 1028562638 /nfs/dbraw/zinc/56/26/38/1028562638.db2.gz XNPBAROWMMBJOJ-QZTJIDSGSA-N -1 0 325.408 3.513 20 0 EHADRM C[C@]1(CNC(=O)CC2CCC(C(=O)[O-])CC2)CCCc2ccccc21 ZINC000563537449 1028565414 /nfs/dbraw/zinc/56/54/14/1028565414.db2.gz MHTAEGVSYIMSAY-AEJJIKPWSA-N -1 0 343.467 3.678 20 0 EHADRM CCCOc1cccc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2C)c1 ZINC000236873989 1028593297 /nfs/dbraw/zinc/59/32/97/1028593297.db2.gz NYUXMTLFPVPHQS-GOSISDBHSA-N -1 0 341.407 3.730 20 0 EHADRM CC[C@@H](C)c1cc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)on1 ZINC000236893855 1028593590 /nfs/dbraw/zinc/59/35/90/1028593590.db2.gz CNXRFVYEEYIXQK-GFCCVEGCSA-N -1 0 346.383 3.684 20 0 EHADRM CCC(CC)(CNC(=O)c1sc2ccc(F)cc2c1C)C(=O)[O-] ZINC000236902697 1028601636 /nfs/dbraw/zinc/60/16/36/1028601636.db2.gz NXXWFBFPOPSXCU-UHFFFAOYSA-N -1 0 337.416 3.970 20 0 EHADRM Cc1ccc2cccc([N-]S(=O)(=O)c3cccc(Cl)c3)c2n1 ZINC000074858949 1028636536 /nfs/dbraw/zinc/63/65/36/1028636536.db2.gz WETMVPTXAKKXFB-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1ccc2cccc([N-]S(=O)(=O)c3ccc(F)cc3C)c2n1 ZINC000074858934 1028636725 /nfs/dbraw/zinc/63/67/25/1028636725.db2.gz HTRDDLOGXABARH-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM C[C@@H](CC(=O)N(CC(=O)[O-])Cc1ccccc1)Cc1cccc(F)c1 ZINC000237303197 1028646936 /nfs/dbraw/zinc/64/69/36/1028646936.db2.gz QJIXUYDKZCGDOZ-OAHLLOKOSA-N -1 0 343.398 3.508 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2cccc(C(=O)[O-])c2)C2CC2)o1 ZINC000237664434 1028658724 /nfs/dbraw/zinc/65/87/24/1028658724.db2.gz ZVJNPUJFLHEUOY-YVEFUNNKSA-N -1 0 339.391 3.906 20 0 EHADRM O=S(=O)(N[C@@H]1CCCc2c(F)cccc21)c1sccc1Cl ZINC001212021354 1028727575 /nfs/dbraw/zinc/72/75/75/1028727575.db2.gz OZXLCHQELFZTMA-CYBMUJFWSA-N -1 0 345.848 3.897 20 0 EHADRM CSc1ccc(CNC(=O)CC2(C(=O)[O-])CCCCCC2)cc1 ZINC000353854324 1028732186 /nfs/dbraw/zinc/73/21/86/1028732186.db2.gz IZXGQXCDRVIFAE-UHFFFAOYSA-N -1 0 335.469 3.840 20 0 EHADRM CCOc1cc(-c2noc(-c3ccc([O-])c(Cl)c3)n2)ccc1O ZINC000445415830 1028775993 /nfs/dbraw/zinc/77/59/93/1028775993.db2.gz CRCSVYGFARVTOY-UHFFFAOYSA-N -1 0 332.743 3.867 20 0 EHADRM CC[C@H](C)Sc1ccc(NC(=O)[C@@H](C)O[C@@H](C)C(=O)[O-])c(C)c1 ZINC000421806378 1028793082 /nfs/dbraw/zinc/79/30/82/1028793082.db2.gz LWVXVBMXLUCWPO-XQQFMLRXSA-N -1 0 339.457 3.702 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])ccc1-c1ccncc1 ZINC000634837791 1028824110 /nfs/dbraw/zinc/82/41/10/1028824110.db2.gz QQDGGHQKIWBJQB-MSOLQXFVSA-N -1 0 338.407 3.887 20 0 EHADRM [O-]c1ccc(Cl)cc1-c1nc(-c2ccc(OC(F)F)cn2)no1 ZINC000445524190 1028889839 /nfs/dbraw/zinc/88/98/39/1028889839.db2.gz LZWWODMJDAZLET-UHFFFAOYSA-N -1 0 339.685 3.759 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2cccc(-n3cccc3)c2)c1 ZINC000327443273 1028900580 /nfs/dbraw/zinc/90/05/80/1028900580.db2.gz HCAZETWVCINXRI-UHFFFAOYSA-N -1 0 334.375 3.747 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccccc2)cn1)c1cncc(Cl)c1 ZINC000532856725 1028940382 /nfs/dbraw/zinc/94/03/82/1028940382.db2.gz OBPMSKKWUVPBKU-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM Cc1cc2cc([N-]S(=O)(=O)c3c(C)nn(C(C)C)c3C)ccc2[nH]1 ZINC000524188156 1028953101 /nfs/dbraw/zinc/95/31/01/1028953101.db2.gz RZNDXMKPWOPQQW-UHFFFAOYSA-N -1 0 346.456 3.671 20 0 EHADRM c1cn(C2CCCC2)nc1CN=c1[n-]nc(-c2ccccc2)s1 ZINC000532883493 1028971915 /nfs/dbraw/zinc/97/19/15/1028971915.db2.gz HHIXEZMNMMYPCF-UHFFFAOYSA-N -1 0 325.441 3.551 20 0 EHADRM O=S(=O)([N-]c1ccc(F)c(F)c1F)c1ccc(Cl)s1 ZINC000016129215 1028979552 /nfs/dbraw/zinc/97/95/52/1028979552.db2.gz IBPLMDWFWDGJCB-UHFFFAOYSA-N -1 0 327.736 3.620 20 0 EHADRM CCCOc1ccccc1NC(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC000634852665 1029008316 /nfs/dbraw/zinc/00/83/16/1029008316.db2.gz JNZGOKQIKWBQIB-HNNXBMFYSA-N -1 0 327.380 3.672 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N[C@@H](c2ccccc2)C2CC2)s1 ZINC000503053412 1029022598 /nfs/dbraw/zinc/02/25/98/1029022598.db2.gz PMFNNSDZBFUJNM-INIZCTEOSA-N -1 0 344.484 3.966 20 0 EHADRM CCCOc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)c(C)c1 ZINC000614883356 1029032146 /nfs/dbraw/zinc/03/21/46/1029032146.db2.gz NXSJMKIQGJADHL-UHFFFAOYSA-N -1 0 341.379 3.863 20 0 EHADRM CC(C)C[C@@H](C)n1nccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000524297038 1029058033 /nfs/dbraw/zinc/05/80/33/1029058033.db2.gz CMLMARAVCISHIF-LLVKDONJSA-N -1 0 343.399 3.569 20 0 EHADRM COc1ccc(CNC(=O)c2cc(O)ccc2Cl)cc1Cl ZINC000343084141 1029075074 /nfs/dbraw/zinc/07/50/74/1029075074.db2.gz RZGQRKCYDOTEQA-UHFFFAOYSA-N -1 0 326.179 3.638 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N[C@H](C)c2cc(C)sc2C)s1 ZINC000503147941 1029089090 /nfs/dbraw/zinc/08/90/90/1029089090.db2.gz SWLAZFKMGRYMFM-SNVBAGLBSA-N -1 0 338.502 3.864 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)C(=O)c1cc2cc(C(F)(F)F)ccc2s1 ZINC000659768057 1029111332 /nfs/dbraw/zinc/11/13/32/1029111332.db2.gz VSWGZRZOMLJFGL-SNVBAGLBSA-N -1 0 345.342 3.855 20 0 EHADRM Cc1cc(=NC(=O)CCCc2cc(Cl)sc2Cl)[n-]nc1C ZINC000445806039 1029143563 /nfs/dbraw/zinc/14/35/63/1029143563.db2.gz RACKQEREBPUGGH-UHFFFAOYSA-N -1 0 344.267 3.845 20 0 EHADRM Oc1ccc(-c2noc(-c3csc([C@H]4CCCO4)n3)n2)c(F)c1 ZINC000278154257 1029373200 /nfs/dbraw/zinc/37/32/00/1029373200.db2.gz MKTRTWKBDDNXGL-GFCCVEGCSA-N -1 0 333.344 3.556 20 0 EHADRM CCO[C@H](CNC(=O)CC1(C(=O)[O-])CCCCCC1)c1ccccc1 ZINC000446062343 1029373979 /nfs/dbraw/zinc/37/39/79/1029373979.db2.gz NUJPBJGRDNJKNY-QGZVFWFLSA-N -1 0 347.455 3.696 20 0 EHADRM Cc1cc(C)c(Nc2cc(Cl)nc(Cl)c2)c(S(=O)(=O)[O-])c1 ZINC001212096918 1029408140 /nfs/dbraw/zinc/40/81/40/1029408140.db2.gz XBMCAJIKLCHOSA-UHFFFAOYSA-N -1 0 347.223 3.996 20 0 EHADRM CCCC[C@@H](C)N(C)C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000615066017 1029447384 /nfs/dbraw/zinc/44/73/84/1029447384.db2.gz PHPIIWOEXMYFPT-GFCCVEGCSA-N -1 0 335.835 3.882 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2)C1 ZINC000533187965 1029448508 /nfs/dbraw/zinc/44/85/08/1029448508.db2.gz JRBZBMGASLCQLY-OAHLLOKOSA-N -1 0 339.391 3.806 20 0 EHADRM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)[N-]OCCC(F)(F)F ZINC000162805023 1029470369 /nfs/dbraw/zinc/47/03/69/1029470369.db2.gz LZUKVIJDWUCHQW-SSDOTTSWSA-N -1 0 346.132 3.761 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)c1ccccc1SCc1cccs1 ZINC000237461879 1029470948 /nfs/dbraw/zinc/47/09/48/1029470948.db2.gz UXIDECUSUUMYAO-NSHDSACASA-N -1 0 335.450 3.633 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000050921315 1029542268 /nfs/dbraw/zinc/54/22/68/1029542268.db2.gz KZRJBLAWDVMLNO-LLVKDONJSA-N -1 0 330.211 3.853 20 0 EHADRM O=C([O-])CC[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1F ZINC000050925029 1029612455 /nfs/dbraw/zinc/61/24/55/1029612455.db2.gz IEPCSXPLTDHWKO-ZDUSSCGKSA-N -1 0 344.224 3.808 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1 ZINC000262810056 1029638451 /nfs/dbraw/zinc/63/84/51/1029638451.db2.gz DHQMPCLRTSELRW-NEWSRXKRSA-N -1 0 343.467 3.920 20 0 EHADRM C[C@]1(NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)CCCC[C@@H]1C(=O)[O-] ZINC000262831254 1029642345 /nfs/dbraw/zinc/64/23/45/1029642345.db2.gz QIAXAWJVILFAKK-MMQJMDILSA-N -1 0 335.831 3.593 20 0 EHADRM CC(C)[C@@H](CC(=O)N1CC[C@@](C(=O)[O-])(C(C)C)C1)c1ccccc1 ZINC000262935289 1029651681 /nfs/dbraw/zinc/65/16/81/1029651681.db2.gz KHXSVERUSRAQHM-XLIONFOSSA-N -1 0 331.456 3.776 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)c1[nH]c2ccccc2c1Cl)C(=O)[O-] ZINC000262987140 1029654535 /nfs/dbraw/zinc/65/45/35/1029654535.db2.gz PWBLNMAABQLWER-LBPRGKRZSA-N -1 0 336.819 3.831 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1cc(Br)ccc1C ZINC000525012127 1029657621 /nfs/dbraw/zinc/65/76/21/1029657621.db2.gz SBURIWYBPCPAOL-UHFFFAOYSA-N -1 0 346.271 3.928 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N[C@H](CC1CC1)C(=O)[O-] ZINC000263028619 1029658607 /nfs/dbraw/zinc/65/86/07/1029658607.db2.gz ZEVINHMKFOUVHI-MRXNPFEDSA-N -1 0 337.375 3.878 20 0 EHADRM Cc1cscc1C(=O)N[C@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC000263035257 1029659332 /nfs/dbraw/zinc/65/93/32/1029659332.db2.gz MZNJXCKYFJZQBT-WMLDXEAASA-N -1 0 343.448 3.750 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000263075372 1029663310 /nfs/dbraw/zinc/66/33/10/1029663310.db2.gz AWWYYXBJTPWVSP-GFCCVEGCSA-N -1 0 347.361 3.799 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)CCc1ccc(-c2ccccc2)[nH]1 ZINC000263072174 1029663657 /nfs/dbraw/zinc/66/36/57/1029663657.db2.gz UGGCTLRKZRDDLH-FQEVSTJZSA-N -1 0 342.439 3.620 20 0 EHADRM Cc1c(Cl)cc(F)c(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)c1F ZINC000263086131 1029664516 /nfs/dbraw/zinc/66/45/16/1029664516.db2.gz IJDFTWBQTJVPJH-IONNQARKSA-N -1 0 346.761 3.501 20 0 EHADRM CCC[C@@H](CNC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000263087780 1029664542 /nfs/dbraw/zinc/66/45/42/1029664542.db2.gz DKKCZVORMYQBIX-SFHVURJKSA-N -1 0 325.408 3.513 20 0 EHADRM CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(CC)CCC(=O)[O-] ZINC000263152335 1029669949 /nfs/dbraw/zinc/66/99/49/1029669949.db2.gz NXGZWQGGYOBTMQ-CYBMUJFWSA-N -1 0 345.361 3.597 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)NCc2ccc(C(=O)[O-])s2)cc1 ZINC000263161409 1029669993 /nfs/dbraw/zinc/66/99/93/1029669993.db2.gz IJWXMGPQTFMIPO-LBPRGKRZSA-N -1 0 331.437 3.819 20 0 EHADRM Cc1nc(-c2ccsc2)ccc1C(=O)N[C@](C)(CC(=O)[O-])C(C)C ZINC000263154236 1029670155 /nfs/dbraw/zinc/67/01/55/1029670155.db2.gz ZHUCSHFKZVLTDG-GOSISDBHSA-N -1 0 346.452 3.738 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cccc(Oc2ccccc2)c1 ZINC000263188625 1029671036 /nfs/dbraw/zinc/67/10/36/1029671036.db2.gz KZHAMNZYRAKIFJ-ZBFHGGJFSA-N -1 0 339.391 3.804 20 0 EHADRM C[C@@H](CNC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1c(Cl)cccc1Cl ZINC000263205368 1029673938 /nfs/dbraw/zinc/67/39/38/1029673938.db2.gz KPPBRPIFUCCWFE-AXFHLTTASA-N -1 0 344.238 3.714 20 0 EHADRM CN(C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)C1c2ccccc2-c2ccccc21 ZINC000263206341 1029674200 /nfs/dbraw/zinc/67/42/00/1029674200.db2.gz KTEPGDGTCFDJDS-KGLIPLIRSA-N -1 0 335.403 3.716 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2ccc3cc(Br)ccc3n2)C1 ZINC000263287160 1029683464 /nfs/dbraw/zinc/68/34/64/1029683464.db2.gz YFICTLZPQRAZNU-ZYHUDNBSSA-N -1 0 349.228 3.544 20 0 EHADRM CC[C@H](CC(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1ccc(OC)cc1 ZINC000263318832 1029688102 /nfs/dbraw/zinc/68/81/02/1029688102.db2.gz ZXGKIXJKVZHOLH-NVXWUHKLSA-N -1 0 347.455 3.825 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)c1 ZINC000263324371 1029689459 /nfs/dbraw/zinc/68/94/59/1029689459.db2.gz OGRMBIQFSJDCOK-GOPGUHFVSA-N -1 0 327.355 3.756 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cc(C(=O)[O-])ccn1 ZINC000263378932 1029693326 /nfs/dbraw/zinc/69/33/26/1029693326.db2.gz CAQBAXHNUJTCSE-NEPJUHHUSA-N -1 0 346.814 3.697 20 0 EHADRM O=C([O-])c1cccc(C[N@@H+]2CCC[C@H](OCc3ccccc3F)C2)c1 ZINC000263446742 1029698705 /nfs/dbraw/zinc/69/87/05/1029698705.db2.gz YASWNOHRJUJUBQ-SFHVURJKSA-N -1 0 343.398 3.705 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N2CCCCC[C@H]2c2ccco2)cc1 ZINC000263483684 1029701861 /nfs/dbraw/zinc/70/18/61/1029701861.db2.gz ORWKNFJACXZVEB-INIZCTEOSA-N -1 0 342.395 3.805 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)cc1 ZINC000263512467 1029705257 /nfs/dbraw/zinc/70/52/57/1029705257.db2.gz CTMKGHRRIOHXSP-ZCNNSNEGSA-N -1 0 349.430 3.722 20 0 EHADRM Cc1cccc(Oc2ccccc2C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC000263523822 1029708056 /nfs/dbraw/zinc/70/80/56/1029708056.db2.gz IROGSVWXQSWVQV-LSDHHAIUSA-N -1 0 339.391 3.770 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)on1 ZINC000446807240 1029805366 /nfs/dbraw/zinc/80/53/66/1029805366.db2.gz YCZQSGHXFMZSAZ-UHFFFAOYSA-N -1 0 346.811 3.707 20 0 EHADRM C[C@@H]1C[C@@H](C)N(C(=O)N=c2[n-]nc(C(C)(C)c3ccccc3)s2)C1 ZINC000525410509 1029840889 /nfs/dbraw/zinc/84/08/89/1029840889.db2.gz FNMVKQPMHLOGED-CHWSQXEVSA-N -1 0 344.484 3.548 20 0 EHADRM Cc1csc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)n1 ZINC000615127246 1029878153 /nfs/dbraw/zinc/87/81/53/1029878153.db2.gz LPFABEPQDMCWIF-UHFFFAOYSA-N -1 0 340.470 3.677 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)c1sc(C2CC2)nc1-c1ccccc1 ZINC000455762126 1029900889 /nfs/dbraw/zinc/90/08/89/1029900889.db2.gz ANGZAKZMTZMFPI-UHFFFAOYSA-N -1 0 344.436 3.624 20 0 EHADRM O=C(N=c1nc(Cc2ccccc2)[n-]s1)c1cc(F)ccc1Cl ZINC000555952513 1029971915 /nfs/dbraw/zinc/97/19/15/1029971915.db2.gz SCEVTTYPYCISBB-UHFFFAOYSA-N -1 0 347.802 3.596 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1CN1CCO[C@@H](c2ccccc2)C1 ZINC001142657192 1030020107 /nfs/dbraw/zinc/02/01/07/1030020107.db2.gz PYZFJZKFIXRLSX-QGZVFWFLSA-N -1 0 331.799 3.612 20 0 EHADRM COCc1ccccc1[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000120882776 1030103446 /nfs/dbraw/zinc/10/34/46/1030103446.db2.gz PDUQZRSSKDYKGB-UHFFFAOYSA-N -1 0 343.807 3.735 20 0 EHADRM CCSCc1ccnc([N-]S(=O)(=O)c2cc(C)sc2C)c1 ZINC000090367828 1030105750 /nfs/dbraw/zinc/10/57/50/1030105750.db2.gz HHOGNGNBRBFDID-UHFFFAOYSA-N -1 0 342.511 3.814 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Br ZINC000128292916 1030134427 /nfs/dbraw/zinc/13/44/27/1030134427.db2.gz XRKGVDTWBPLRMT-DTWKUNHWSA-N -1 0 346.608 3.542 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N3CCCC[C@H]3C)s2)c1 ZINC000481968080 1030137660 /nfs/dbraw/zinc/13/76/60/1030137660.db2.gz UHIMKNJCCYCXCK-CYBMUJFWSA-N -1 0 330.457 3.650 20 0 EHADRM Cc1ccc(-c2ncc(CN=c3[n-]nc(-c4ccccc4)o3)s2)o1 ZINC000508599354 1030219727 /nfs/dbraw/zinc/21/97/27/1030219727.db2.gz QVSZREPUNCVHPN-UHFFFAOYSA-N -1 0 338.392 3.796 20 0 EHADRM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])C1 ZINC000447597035 1030334725 /nfs/dbraw/zinc/33/47/25/1030334725.db2.gz DCRUUCPEUXRZRG-FRRDWIJNSA-N -1 0 347.846 3.738 20 0 EHADRM O=C(N=c1nc(-c2ccsc2)[n-]s1)c1cc[nH]c1C1CCC1 ZINC000583669207 1030422541 /nfs/dbraw/zinc/42/25/41/1030422541.db2.gz XRTWVFLNWSEMDQ-UHFFFAOYSA-N -1 0 330.438 3.536 20 0 EHADRM Cc1nc(C)c(S(=O)(=O)[N-]c2ncccc2-c2ccccc2)s1 ZINC000092389174 1030444442 /nfs/dbraw/zinc/44/44/42/1030444442.db2.gz NRNUMKXLTYXTBN-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)CCCC2CCCC2)c1 ZINC000532258846 1030525867 /nfs/dbraw/zinc/52/58/67/1030525867.db2.gz NSBFAUVYYAUOIH-KRWDZBQOSA-N -1 0 333.428 3.688 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3ccncc32)c1 ZINC000532292356 1030527769 /nfs/dbraw/zinc/52/77/69/1030527769.db2.gz TVONZUULCNCJCB-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM COC(=O)c1c[nH]c(SCCOc2cccc3ccccc32)n1 ZINC000193550031 1030581264 /nfs/dbraw/zinc/58/12/64/1030581264.db2.gz QOACDVKIJCIZDN-UHFFFAOYSA-N -1 0 328.393 3.521 20 0 EHADRM CCSc1n[n-]c(=NCc2nc(-c3ccccc3)cs2)s1 ZINC000447951458 1030601584 /nfs/dbraw/zinc/60/15/84/1030601584.db2.gz FEBQAJVRNKOGPC-UHFFFAOYSA-N -1 0 334.495 3.808 20 0 EHADRM CCOc1cc(F)ccc1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000194457612 1030626820 /nfs/dbraw/zinc/62/68/20/1030626820.db2.gz VAVOEBZGQAFTNQ-UHFFFAOYSA-N -1 0 327.714 3.975 20 0 EHADRM C[C@@H]1CN(C(=O)N=c2nc(-c3ccsc3)[n-]s2)[C@@H]2CCCC[C@@H]21 ZINC000448000755 1030651255 /nfs/dbraw/zinc/65/12/55/1030651255.db2.gz OLSLWLLJBOJWLB-RAIGVLPGSA-N -1 0 348.497 3.731 20 0 EHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1cc(C)ccc1Cl ZINC000194219083 1030704925 /nfs/dbraw/zinc/70/49/25/1030704925.db2.gz VONRIQQMBWPKQH-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM O=C(c1nn(-c2cccc(Cl)c2)cc1[O-])N1CCC[C@@H]1C1CCC1 ZINC000668139183 1030756982 /nfs/dbraw/zinc/75/69/82/1030756982.db2.gz XHTOVRBPJSFKGX-OAHLLOKOSA-N -1 0 345.830 3.636 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000448152485 1030774438 /nfs/dbraw/zinc/77/44/38/1030774438.db2.gz ZRBNJAKJYMVMSC-IBGZPJMESA-N -1 0 336.439 3.829 20 0 EHADRM CC(C)CN(C(=O)c1nn(-c2ccccc2)cc1[O-])C1CCCC1 ZINC000475654367 1030777730 /nfs/dbraw/zinc/77/77/30/1030777730.db2.gz GACOUAKJDLAOJA-UHFFFAOYSA-N -1 0 327.428 3.619 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)N1CCCC2(C1)CCCCCC2 ZINC000448156969 1030778871 /nfs/dbraw/zinc/77/88/71/1030778871.db2.gz VCXDCSCIIPLHBZ-UHFFFAOYSA-N -1 0 328.460 3.744 20 0 EHADRM CC(C)CN(Cc1ccccc1F)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000448155828 1030779434 /nfs/dbraw/zinc/77/94/34/1030779434.db2.gz PGSHILRYYBWWEK-UHFFFAOYSA-N -1 0 342.418 3.605 20 0 EHADRM Cc1ccc(CN=c2[n-]nc(-c3cccc(OC(F)F)c3)o2)s1 ZINC000550960924 1030838153 /nfs/dbraw/zinc/83/81/53/1030838153.db2.gz SLDUPVOYGCVULZ-UHFFFAOYSA-N -1 0 337.351 3.742 20 0 EHADRM Cc1cccc2[nH]cc(CCNC(=O)c3cc(F)c([O-])c(Cl)c3)c21 ZINC000194589634 1030936506 /nfs/dbraw/zinc/93/65/06/1030936506.db2.gz BBPBZCXKBUXMKR-UHFFFAOYSA-N -1 0 346.789 3.947 20 0 EHADRM O=S(=O)([N-]c1cccc(Cl)n1)c1ccc(C(F)(F)F)cc1 ZINC000162279244 1030990146 /nfs/dbraw/zinc/99/01/46/1030990146.db2.gz WINODLQJQZMPAH-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM COc1cccc(CNc2ccc(C)c(C(=O)[O-])c2)c1OC(F)F ZINC000551058951 1030993664 /nfs/dbraw/zinc/99/36/64/1030993664.db2.gz CHZHWOQZNYXCHA-UHFFFAOYSA-N -1 0 337.322 3.915 20 0 EHADRM O=S(=O)([N-]c1ccc2scnc2c1)c1cc(F)c(F)c(F)c1 ZINC000172811165 1031002279 /nfs/dbraw/zinc/00/22/79/1031002279.db2.gz QQJXWDHYDPADIJ-UHFFFAOYSA-N -1 0 344.339 3.514 20 0 EHADRM CC(C)c1cc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)no1 ZINC000476911968 1031066514 /nfs/dbraw/zinc/06/65/14/1031066514.db2.gz FZWCZTVVIKOZFI-UHFFFAOYSA-N -1 0 335.212 3.906 20 0 EHADRM O=C(c1nn(-c2ccccc2)cc1[O-])N1CCC[C@]2(CC=CCC2)C1 ZINC000173589857 1031116880 /nfs/dbraw/zinc/11/68/80/1031116880.db2.gz GSQHQZMEUDDCOI-HXUWFJFHSA-N -1 0 337.423 3.540 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000173622780 1031121650 /nfs/dbraw/zinc/12/16/50/1031121650.db2.gz VQOZBLLGIBYBMV-DOTOQJQBSA-N -1 0 347.418 3.596 20 0 EHADRM CC1(C)CN(C(=O)c2cccc(Br)c2[O-])[C@H]2CCC[C@@H]21 ZINC000583955146 1031224973 /nfs/dbraw/zinc/22/49/73/1031224973.db2.gz GVFKOIDZXBEYMV-AAEUAGOBSA-N -1 0 338.245 3.805 20 0 EHADRM COc1ccccc1-c1n[n-]c(=NCc2ccc(F)c(Cl)c2)o1 ZINC000551451828 1031348272 /nfs/dbraw/zinc/34/82/72/1031348272.db2.gz ZGIAYUCDYLJHLL-UHFFFAOYSA-N -1 0 333.750 3.572 20 0 EHADRM CC(C)(C)[C@@H]1CCCN1C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000668263674 1031349013 /nfs/dbraw/zinc/34/90/13/1031349013.db2.gz AFXCYIQBZPQTRP-HNNXBMFYSA-N -1 0 349.381 3.507 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)c1cccc([C@@H]2CCCOC2)c1)C(=O)[O-] ZINC000668289239 1031402616 /nfs/dbraw/zinc/40/26/16/1031402616.db2.gz RVTSRWXYKYNYGR-IAGOWNOFSA-N -1 0 347.455 3.590 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCCC3(C)C)n2)cc1 ZINC000175985810 1031404381 /nfs/dbraw/zinc/40/43/81/1031404381.db2.gz OQYKCVJLYNKBEY-UHFFFAOYSA-N -1 0 327.428 3.716 20 0 EHADRM CC[C@@H]1CCCCN1C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000177012843 1031475292 /nfs/dbraw/zinc/47/52/92/1031475292.db2.gz LNIORHDKQNXHII-CYBMUJFWSA-N -1 0 333.819 3.636 20 0 EHADRM O=S(=O)([N-]c1csc2ccccc12)c1ccc2c(c1)CCO2 ZINC000484156707 1031478958 /nfs/dbraw/zinc/47/89/58/1031478958.db2.gz HAYRXPQKOCNGJX-UHFFFAOYSA-N -1 0 331.418 3.637 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])cc1F)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000668323905 1031487304 /nfs/dbraw/zinc/48/73/04/1031487304.db2.gz GGWSNRJSCZIPIB-PHIMTYICSA-N -1 0 347.308 3.717 20 0 EHADRM COc1cccc([N-]S(=O)(=O)c2ccc(CCC(C)C)cc2)c1O ZINC000484257935 1031506456 /nfs/dbraw/zinc/50/64/56/1031506456.db2.gz UADQMGXCVBACFQ-UHFFFAOYSA-N -1 0 349.452 3.790 20 0 EHADRM CC[C@H](C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl)[C@H](C)O ZINC000477390062 1031519862 /nfs/dbraw/zinc/51/98/62/1031519862.db2.gz CQHZZMWRLKCYGI-WDSKDSINSA-N -1 0 326.607 3.698 20 0 EHADRM Cc1ccc(-c2nnc([N-]S(=O)(=O)c3ccc(C)cc3C)o2)s1 ZINC000194836872 1031560389 /nfs/dbraw/zinc/56/03/89/1031560389.db2.gz DBMHSHXEFUNWDW-UHFFFAOYSA-N -1 0 349.437 3.524 20 0 EHADRM O=C(C[C@@]1(C(=O)[O-])CCSC1)Nc1cccc(OC2CCCC2)c1 ZINC000064610735 1031592089 /nfs/dbraw/zinc/59/20/89/1031592089.db2.gz OPQKWRGLTFDMMC-SFHVURJKSA-N -1 0 349.452 3.545 20 0 EHADRM COc1ccc(CNc2ccc(C(C)(C)C(=O)[O-])cc2)c(F)c1OC ZINC000904014748 1031600033 /nfs/dbraw/zinc/60/00/33/1031600033.db2.gz YLQVZWUQKNJZJN-UHFFFAOYSA-N -1 0 347.386 3.817 20 0 EHADRM CCC[C@H](NC(=O)CC1(C(=O)[O-])CCCC1)c1ccc(F)cc1F ZINC000343606641 1031601077 /nfs/dbraw/zinc/60/10/77/1031601077.db2.gz CZTJFLNCNDGNPO-HNNXBMFYSA-N -1 0 339.382 3.957 20 0 EHADRM CC[C@@H](Cc1ccc(NCc2ccc3oc(=O)oc3c2)cc1)C(=O)[O-] ZINC000904015852 1031604076 /nfs/dbraw/zinc/60/40/76/1031604076.db2.gz ZLDVQGCWUFPGMR-AWEZNQCLSA-N -1 0 341.363 3.651 20 0 EHADRM Cc1nn(C)c(CNc2ccc(S[C@@H](C)C(=O)[O-])cc2)c1Cl ZINC000904017117 1031606790 /nfs/dbraw/zinc/60/67/90/1031606790.db2.gz HDQXJZRJRDKXTP-JTQLQIEISA-N -1 0 339.848 3.559 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)c2cccc(C(F)(F)F)n2)s1 ZINC000448759463 1031611443 /nfs/dbraw/zinc/61/14/43/1031611443.db2.gz ILKDSZWHNDTWBD-UHFFFAOYSA-N -1 0 344.362 3.530 20 0 EHADRM COCc1c(C)cc(C)c(CN[C@H](C)c2ncc(C(=O)[O-])s2)c1C ZINC000904020939 1031614649 /nfs/dbraw/zinc/61/46/49/1031614649.db2.gz MXVZSNTUWVYADF-CYBMUJFWSA-N -1 0 348.468 3.764 20 0 EHADRM CCc1ccccc1[C@@H](CC(=O)[O-])NCc1nc2cc(F)ccc2o1 ZINC000904026867 1031671523 /nfs/dbraw/zinc/67/15/23/1031671523.db2.gz NCKXPSGSPYQXBA-OAHLLOKOSA-N -1 0 342.370 3.835 20 0 EHADRM CCc1noc(C)c1[N-]C(=O)c1snnc1-c1ccccc1C ZINC000904048901 1031695805 /nfs/dbraw/zinc/69/58/05/1031695805.db2.gz FLNKFQWNJICYGK-UHFFFAOYSA-N -1 0 328.397 3.625 20 0 EHADRM CCO[C@@H](C)c1nc(CC(=O)Nc2cc(Cl)ccc2O)cs1 ZINC000117412967 1031711354 /nfs/dbraw/zinc/71/13/54/1031711354.db2.gz FMTBPCLTOJVYRS-VIFPVBQESA-N -1 0 340.832 3.781 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1cc(Br)c(Cl)s1 ZINC000650795127 1031720053 /nfs/dbraw/zinc/72/00/53/1031720053.db2.gz PIWFBICFPLSKOD-HZGVNTEJSA-N -1 0 338.654 3.602 20 0 EHADRM C[C@H](N=c1[n-]nc(-c2cc(Cl)cc(Cl)c2)s1)[C@H]1CCOC1 ZINC000584132533 1031782628 /nfs/dbraw/zinc/78/26/28/1031782628.db2.gz FFFUSSAQKQZZDX-IUCAKERBSA-N -1 0 344.267 3.771 20 0 EHADRM O=c1[nH]c2c(cc1-c1noc(-c3cccc(F)c3[O-])n1)CCCCC2 ZINC000904161383 1031783903 /nfs/dbraw/zinc/78/39/03/1031783903.db2.gz STHLIXYANFZOBQ-UHFFFAOYSA-N -1 0 341.342 3.618 20 0 EHADRM CCS[C@H]1CC[C@H](N(C)C(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000180091272 1031841136 /nfs/dbraw/zinc/84/11/36/1031841136.db2.gz YSPOMCQDWQHVOK-IUCAKERBSA-N -1 0 333.375 3.556 20 0 EHADRM Cc1coc(-c2ccc(C)c(N[C@H]3C[C@H](NC(=O)[O-])C34CCC4)c2)n1 ZINC000904199460 1031845630 /nfs/dbraw/zinc/84/56/30/1031845630.db2.gz KIUQKTRLOAIDSS-HOTGVXAUSA-N -1 0 341.411 3.949 20 0 EHADRM O=C([O-])N[C@@H]1C[C@@H](Nc2ccccc2N2CCCCC2)C12CCC2 ZINC000904199243 1031845677 /nfs/dbraw/zinc/84/56/77/1031845677.db2.gz NPVHWQJDNXSJDB-IAGOWNOFSA-N -1 0 329.444 3.668 20 0 EHADRM O=C([O-])C1CCN(c2ccc(CNc3ccccc3Cl)o2)CC1 ZINC000904198756 1031845806 /nfs/dbraw/zinc/84/58/06/1031845806.db2.gz KNRQPHUITUGKLL-UHFFFAOYSA-N -1 0 334.803 3.846 20 0 EHADRM O=C([O-])N[C@H]1C[C@@H](Nc2ccc3nc(C4CC4)oc3c2)C12CCC2 ZINC000904224411 1031860960 /nfs/dbraw/zinc/86/09/60/1031860960.db2.gz VWMPQEQXPVAHRS-CABCVRRESA-N -1 0 327.384 3.696 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)CCc1cccc(C(F)(F)F)c1 ZINC000448990366 1031998489 /nfs/dbraw/zinc/99/84/89/1031998489.db2.gz ILSZGFCWPGUFEI-INIZCTEOSA-N -1 0 345.361 3.644 20 0 EHADRM C[C@H](CC1CCCC1)C(=O)NC[C@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC000448997418 1032002214 /nfs/dbraw/zinc/00/22/14/1032002214.db2.gz UPOGZDTXJXPBFP-YJYMSZOUSA-N -1 0 335.419 3.501 20 0 EHADRM C[C@H](CC1CCCC1)C(=O)NC[C@@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC000448997415 1032003518 /nfs/dbraw/zinc/00/35/18/1032003518.db2.gz UPOGZDTXJXPBFP-BFUOFWGJSA-N -1 0 335.419 3.501 20 0 EHADRM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)c1ccc(C(=O)[O-])c(C)n1 ZINC000448986918 1032016115 /nfs/dbraw/zinc/01/61/15/1032016115.db2.gz YWSKYAQXCGBCII-SFHVURJKSA-N -1 0 340.423 3.866 20 0 EHADRM Cc1csc(Nc2cccc([N-]S(=O)(=O)c3ccoc3)c2)n1 ZINC000350017531 1032045359 /nfs/dbraw/zinc/04/53/59/1032045359.db2.gz QFTBISYLUZUDAN-UHFFFAOYSA-N -1 0 335.410 3.589 20 0 EHADRM CCOC(=O)c1ccc(Nc2ccc(C(=O)[O-])cc2C)c(OC)c1 ZINC001211626613 1033592673 /nfs/dbraw/zinc/59/26/73/1033592673.db2.gz OBAYQUZXQFQQFI-UHFFFAOYSA-N -1 0 329.352 3.622 20 0 EHADRM CC[C@@H](NC(=O)N[C@@H](C)c1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000780513677 1033656540 /nfs/dbraw/zinc/65/65/40/1033656540.db2.gz LBXOBCKBRROGIS-SUMWQHHRSA-N -1 0 342.395 3.702 20 0 EHADRM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1cc2c(cc1O)OCO2 ZINC000093923179 1033801444 /nfs/dbraw/zinc/80/14/44/1033801444.db2.gz DWONYKCHSMXWQU-NSHDSACASA-N -1 0 339.347 3.700 20 0 EHADRM CC(C)n1ncc2ccc(NC(=O)CC3CCC(C(=O)[O-])CC3)cc21 ZINC000575126563 1033866539 /nfs/dbraw/zinc/86/65/39/1033866539.db2.gz IVDBQAXYNGRUJW-UHFFFAOYSA-N -1 0 343.427 3.837 20 0 EHADRM C[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)[C@H]1CCC[C@@H](C)C1 ZINC001212177760 1033876890 /nfs/dbraw/zinc/87/68/90/1033876890.db2.gz XCZWXSUBUGDLAU-VWYCJHECSA-N -1 0 335.391 3.597 20 0 EHADRM Cc1ccc(CN(C(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)C2CC2)o1 ZINC000327054925 1033894629 /nfs/dbraw/zinc/89/46/29/1033894629.db2.gz YNQHFRQSAOXBMB-HXUWFJFHSA-N -1 0 341.407 3.512 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nnc(C(C)(C)C)s2)cc1Cl ZINC000083956344 1033899247 /nfs/dbraw/zinc/89/92/47/1033899247.db2.gz NZYXRPPSPCPCKV-UHFFFAOYSA-N -1 0 345.877 3.598 20 0 EHADRM O=C(N[C@@H]1CCOc2c(Cl)cccc21)c1ccc([O-])c(Cl)c1 ZINC000055456345 1033975049 /nfs/dbraw/zinc/97/50/49/1033975049.db2.gz PLPUVITVMQTCHD-CYBMUJFWSA-N -1 0 338.190 3.953 20 0 EHADRM CCCCOc1ccc([C@@H](C)N=c2[n-]nc(C(C)C)o2)cc1OC ZINC000450262646 1034003244 /nfs/dbraw/zinc/00/32/44/1034003244.db2.gz UDQGKEWRIZSCPJ-CYBMUJFWSA-N -1 0 333.432 3.976 20 0 EHADRM Cc1ccc(C([O-])=CS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000322962877 1034085880 /nfs/dbraw/zinc/08/58/80/1034085880.db2.gz VCPBLAPUPSRMQF-UHFFFAOYSA-N -1 0 342.338 3.670 20 0 EHADRM O=C([O-])c1cc(/C=C\c2cc(Cl)ccc2OC(F)F)ncn1 ZINC000534145430 1034164619 /nfs/dbraw/zinc/16/46/19/1034164619.db2.gz UAOKBABHGMBKQY-IWQZZHSRSA-N -1 0 326.686 3.600 20 0 EHADRM CCSCc1ccnc([N-]S(=O)(=O)c2cccc(CC)c2)c1 ZINC000534172308 1034224959 /nfs/dbraw/zinc/22/49/59/1034224959.db2.gz WDBFOKNDUFVRAT-UHFFFAOYSA-N -1 0 336.482 3.698 20 0 EHADRM CCCC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000761172700 1034244751 /nfs/dbraw/zinc/24/47/51/1034244751.db2.gz ONGTZGDTPRGINI-UHFFFAOYSA-N -1 0 343.448 3.739 20 0 EHADRM Cc1cc(=NC(=O)c2ccc(Oc3ccc(F)cc3)cc2)[n-]nc1C ZINC000604234040 1034288699 /nfs/dbraw/zinc/28/86/99/1034288699.db2.gz UYVOOXRJQLLCSG-UHFFFAOYSA-N -1 0 337.354 3.699 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cncc3ccccc32)c1 ZINC000534288979 1034341641 /nfs/dbraw/zinc/34/16/41/1034341641.db2.gz SQMXLPHZNLFVBI-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1cc(C2CC2)nc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)n1 ZINC000191812008 1034356832 /nfs/dbraw/zinc/35/68/32/1034356832.db2.gz IMKKWTXGKZFAGG-UHFFFAOYSA-N -1 0 331.441 3.587 20 0 EHADRM CC(C)[C@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1ccccc1Cl ZINC000604413619 1034371205 /nfs/dbraw/zinc/37/12/05/1034371205.db2.gz UPHRCWLAFJTUBQ-WWGRRREGSA-N -1 0 335.831 3.820 20 0 EHADRM CC(C)(C)O[C@@H](C(=O)N=c1nc(C2(C)CC2)[n-]s1)c1ccccc1 ZINC000529700300 1034449052 /nfs/dbraw/zinc/44/90/52/1034449052.db2.gz YNFURCPXAIBVPZ-CYBMUJFWSA-N -1 0 345.468 3.506 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)CCCc2cc(F)ccc2F)c1 ZINC000450517630 1034455764 /nfs/dbraw/zinc/45/57/64/1034455764.db2.gz GFJKUPJJXDIVFC-UHFFFAOYSA-N -1 0 347.361 3.943 20 0 EHADRM COCCC[C@H](CN=c1[n-]nc(C(C)C)o1)c1ccc(Cl)cc1 ZINC000450517482 1034456103 /nfs/dbraw/zinc/45/61/03/1034456103.db2.gz FYMHLHAGQZUYOH-CQSZACIVSA-N -1 0 337.851 3.891 20 0 EHADRM O=C(CC/C=C\c1ccccc1)[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC000255831666 1034495601 /nfs/dbraw/zinc/49/56/01/1034495601.db2.gz KTEICZHNGZXMKL-FOOCVSSQSA-N -1 0 341.432 3.597 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)N2CCC[C@@H]2C2CCCCC2)s[n-]1 ZINC000604800542 1034509280 /nfs/dbraw/zinc/50/92/80/1034509280.db2.gz CATFJCYUSXYLJP-CYBMUJFWSA-N -1 0 336.505 3.834 20 0 EHADRM CC1(C)CN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C[C@@H]1c1ccccc1 ZINC000450537936 1034510892 /nfs/dbraw/zinc/51/08/92/1034510892.db2.gz DWULKWVHKSFOLK-IXDOHACOSA-N -1 0 329.440 3.530 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3ccccc3n2)c1 ZINC000604838899 1034522570 /nfs/dbraw/zinc/52/25/70/1034522570.db2.gz MMXPYBILRNWWIO-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000456557617 1034537876 /nfs/dbraw/zinc/53/78/76/1034537876.db2.gz FSUQKLAWXCYRKD-HNNXBMFYSA-N -1 0 337.297 3.770 20 0 EHADRM O=C(N[C@@H](c1ccccn1)C1CCC1)c1cc(F)c([O-])c(Cl)c1 ZINC000529832790 1034617391 /nfs/dbraw/zinc/61/73/91/1034617391.db2.gz XGFORRHVDQBMNB-OAHLLOKOSA-N -1 0 334.778 3.851 20 0 EHADRM CC(=O)CCCCCSc1n[n-]c(=NCc2ccccc2)s1 ZINC000450635107 1034627325 /nfs/dbraw/zinc/62/73/25/1034627325.db2.gz IPFZFZYPQGYADS-UHFFFAOYSA-N -1 0 335.498 3.814 20 0 EHADRM COCCOc1ccc(-c2ccc(CSCC(=O)[O-])cc2)cc1 ZINC000569743969 1034646924 /nfs/dbraw/zinc/64/69/24/1034646924.db2.gz HUVRRRXVCMCCJU-UHFFFAOYSA-N -1 0 332.421 3.697 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2nc3ccsc3s2)c1 ZINC000605257688 1034671750 /nfs/dbraw/zinc/67/17/50/1034671750.db2.gz CVRIUHMUTYJNPB-UHFFFAOYSA-N -1 0 328.415 3.606 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1cncc(Cl)c1 ZINC000534597687 1034708809 /nfs/dbraw/zinc/70/88/09/1034708809.db2.gz KNIQQVAOSULFGJ-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM CC(C)(C(=O)Nc1n[nH]c(-c2ccc(O)c(Cl)c2)n1)C1CCC1 ZINC000450711085 1034722487 /nfs/dbraw/zinc/72/24/87/1034722487.db2.gz UWPPDUWEDKWNCB-UHFFFAOYSA-N -1 0 334.807 3.596 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)c3ccc(Cl)cn3)s2)c1 ZINC000605467798 1034749332 /nfs/dbraw/zinc/74/93/32/1034749332.db2.gz FVFLNOYMKVUUPG-UHFFFAOYSA-N -1 0 344.827 3.545 20 0 EHADRM O=C([O-])[C@H](CNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)Cc1ccccc1 ZINC000431646219 1034771990 /nfs/dbraw/zinc/77/19/90/1034771990.db2.gz VLZARGSKJUVZPU-HCXYKTFWSA-N -1 0 343.467 3.653 20 0 EHADRM CCOc1cc(/C=C/c2cc(C(=O)[O-])ccn2)ccc1OC(F)F ZINC000470263868 1034795686 /nfs/dbraw/zinc/79/56/86/1034795686.db2.gz PAZNIZBGIIEVKY-HWKANZROSA-N -1 0 335.306 3.950 20 0 EHADRM O=C(NCc1cccc(Cl)c1)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000060603682 1034816378 /nfs/dbraw/zinc/81/63/78/1034816378.db2.gz GEJZCYKIGHRRLZ-UHFFFAOYSA-N -1 0 345.811 3.581 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N[C@@H]2CC=CCC2)s1)c1ccccc1 ZINC000605924891 1034846854 /nfs/dbraw/zinc/84/68/54/1034846854.db2.gz UDVOUUVLSASENO-HUUCEWRRSA-N -1 0 342.468 3.732 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-] ZINC000601984823 1034847441 /nfs/dbraw/zinc/84/74/41/1034847441.db2.gz TYRIXZHOVWUUNU-NXEZZACHSA-N -1 0 343.876 3.998 20 0 EHADRM Cc1ccc(-c2cccnc2)cc1NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-] ZINC000601985188 1034848708 /nfs/dbraw/zinc/84/87/08/1034848708.db2.gz YCAMATCBGMWVLU-CHWSQXEVSA-N -1 0 344.436 3.590 20 0 EHADRM CCCCOc1ccc(C(=O)Nc2cccc(F)c2O)cc1OC ZINC000530007624 1034853098 /nfs/dbraw/zinc/85/30/98/1034853098.db2.gz YVBKDXULPUMAGM-UHFFFAOYSA-N -1 0 333.359 3.971 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)NC(C)(C)c1ccc2ccccc2c1)C(=O)[O-] ZINC000602008356 1034857558 /nfs/dbraw/zinc/85/75/58/1034857558.db2.gz KOUHKXRDSZSFHZ-QWHCGFSZSA-N -1 0 345.464 3.786 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cnc3c(c2)CCCC3)c1 ZINC000543859684 1034889194 /nfs/dbraw/zinc/88/91/94/1034889194.db2.gz SGPNKKYKHMYQFH-UHFFFAOYSA-N -1 0 336.844 3.723 20 0 EHADRM CC(C)c1ccc(-c2nc(C[S@](=O)[C@@H](C)C(=O)[O-])cs2)cc1 ZINC000612429559 1034915780 /nfs/dbraw/zinc/91/57/80/1034915780.db2.gz QEEBQANDHXSRPI-SAHAZLINSA-N -1 0 337.466 3.655 20 0 EHADRM O=c1[n-]nc([C@H]2CCC[N@@H+](CCc3cc(Cl)ccc3Cl)C2)o1 ZINC000450913175 1034932637 /nfs/dbraw/zinc/93/26/37/1034932637.db2.gz YSUOEVUNBJRITE-NSHDSACASA-N -1 0 342.226 3.504 20 0 EHADRM Cc1scnc1[N-]S(=O)(=O)c1ccc(OCCC(C)C)cc1 ZINC000530140142 1034999981 /nfs/dbraw/zinc/99/99/81/1034999981.db2.gz FANKTVGKTCQXAZ-UHFFFAOYSA-N -1 0 340.470 3.677 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cccc3ccoc32)cnn1CCC(C)C ZINC000451021423 1035017228 /nfs/dbraw/zinc/01/72/28/1035017228.db2.gz CQJLQOIBVCHTLC-UHFFFAOYSA-N -1 0 347.440 3.785 20 0 EHADRM CC(C)([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(F)(F)F ZINC000451032604 1035036097 /nfs/dbraw/zinc/03/60/97/1035036097.db2.gz QECUFXYXYSGRCJ-UHFFFAOYSA-N -1 0 336.162 3.613 20 0 EHADRM O=C([O-])c1ccc(F)c2c1CN(c1nc(C3CCCC3)ns1)CC2 ZINC000530175625 1035047228 /nfs/dbraw/zinc/04/72/28/1035047228.db2.gz UMWZRTHUOOPNPR-UHFFFAOYSA-N -1 0 347.415 3.596 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2CCOc3ccc(Cl)cc32)ccc1C(=O)[O-] ZINC000431664849 1035131661 /nfs/dbraw/zinc/13/16/61/1035131661.db2.gz ZJQZFGALIMJWIO-CQSZACIVSA-N -1 0 345.782 3.851 20 0 EHADRM Cc1cc(NC(=O)c2cnn(C(C)C)c2C2CC2)cc(C(=O)[O-])c1C ZINC000431668381 1035168436 /nfs/dbraw/zinc/16/84/36/1035168436.db2.gz XQOXPPIVYRHIFN-UHFFFAOYSA-N -1 0 341.411 3.909 20 0 EHADRM Cc1onc(-c2cccnc2)c1C(=O)Nc1cccc(Cl)c1[O-] ZINC000376069501 1035215628 /nfs/dbraw/zinc/21/56/28/1035215628.db2.gz RSLHVLXRBAXPKO-UHFFFAOYSA-N -1 0 329.743 3.656 20 0 EHADRM Cc1cscc1[N-]S(=O)(=O)c1ccc(C)cc1Br ZINC000161589711 1035271746 /nfs/dbraw/zinc/27/17/46/1035271746.db2.gz HXGCDTVEVBOHTB-UHFFFAOYSA-N -1 0 346.271 3.928 20 0 EHADRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cccc2cc[nH]c21 ZINC000548977721 1035363092 /nfs/dbraw/zinc/36/30/92/1035363092.db2.gz ZOEMCDPSUMYCBY-UHFFFAOYSA-N -1 0 330.409 3.594 20 0 EHADRM CCCCc1ccc(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)cc1 ZINC000589026225 1035374823 /nfs/dbraw/zinc/37/48/23/1035374823.db2.gz SXHWOOPYGKCHIA-UHFFFAOYSA-N -1 0 337.379 3.625 20 0 EHADRM Cc1nc(C)c(CC(=O)Nc2ccc3oc4ccccc4c3c2)c(=O)[nH]1 ZINC000613170673 1035433609 /nfs/dbraw/zinc/43/36/09/1035433609.db2.gz XYTNCOLCAHRVBG-UHFFFAOYSA-N -1 0 347.374 3.880 20 0 EHADRM CC[C@H](C)NC(=O)C[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000414099734 1035495480 /nfs/dbraw/zinc/49/54/80/1035495480.db2.gz RHVYCTDRHNYDMF-BJOHPYRUSA-N -1 0 332.227 3.641 20 0 EHADRM CC(C)=CCNC(=O)C[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000414101068 1035498741 /nfs/dbraw/zinc/49/87/41/1035498741.db2.gz RXENXRMPMPGGIY-MRXNPFEDSA-N -1 0 344.238 3.808 20 0 EHADRM CC(C)=CCNC(=O)C[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000414101065 1035499117 /nfs/dbraw/zinc/49/91/17/1035499117.db2.gz RXENXRMPMPGGIY-INIZCTEOSA-N -1 0 344.238 3.808 20 0 EHADRM COc1ccccc1-c1n[n-]c(=NCc2cc(Cl)ccc2F)o1 ZINC000571468279 1035501698 /nfs/dbraw/zinc/50/16/98/1035501698.db2.gz SKDRZWNALOHYJN-UHFFFAOYSA-N -1 0 333.750 3.572 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c(F)c1 ZINC000571468282 1035502299 /nfs/dbraw/zinc/50/22/99/1035502299.db2.gz SNCSQNAIENKHJR-UHFFFAOYSA-N -1 0 335.734 3.867 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)c1cccn1C1CCCC1 ZINC000431792317 1035511671 /nfs/dbraw/zinc/51/16/71/1035511671.db2.gz BYVNPVYUHCDLMR-HOTGVXAUSA-N -1 0 332.444 3.757 20 0 EHADRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000463525151 1035585252 /nfs/dbraw/zinc/58/52/52/1035585252.db2.gz KNPHEXIJGLNACN-UHFFFAOYSA-N -1 0 347.770 3.818 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)N[C@@H](CC(=O)[O-])C1CCCCC1 ZINC000540706230 1035585912 /nfs/dbraw/zinc/58/59/12/1035585912.db2.gz JRRADELFIYWMHL-GUYCJALGSA-N -1 0 335.419 3.544 20 0 EHADRM Cc1c(C(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])cnc2ccccc12 ZINC000431802914 1035599741 /nfs/dbraw/zinc/59/97/41/1035599741.db2.gz ZNOPZZKRDNXOIG-YJBOKZPZSA-N -1 0 340.423 3.697 20 0 EHADRM O=C(c1nn(-c2cccc(Cl)c2)cc1[O-])N1CCC[C@H]2CCC[C@H]21 ZINC000669225229 1035605948 /nfs/dbraw/zinc/60/59/48/1035605948.db2.gz HINDZNLUSMYUGL-IUODEOHRSA-N -1 0 345.830 3.636 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N(C)[C@@H](C)c1cccc(Cl)c1)C(=O)[O-] ZINC000321302232 1035627243 /nfs/dbraw/zinc/62/72/43/1035627243.db2.gz CAUCRCVPGCBYCP-JSGCOSHPSA-N -1 0 340.851 3.789 20 0 EHADRM C[C@](Cc1ccccc1)(NC(=O)c1cc(F)c(F)c([O-])c1F)C1CC1 ZINC000457011162 1035639832 /nfs/dbraw/zinc/63/98/32/1035639832.db2.gz HASNGZGPRUCKHJ-LJQANCHMSA-N -1 0 349.352 3.951 20 0 EHADRM O=C(CCC1CCCCC1)N[N-]C(=O)c1nc(Cl)ccc1Cl ZINC000066556033 1035685361 /nfs/dbraw/zinc/68/53/61/1035685361.db2.gz YEXFMAVQHWRCJK-UHFFFAOYSA-N -1 0 344.242 3.510 20 0 EHADRM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)CC1(C(=O)[O-])CCCC1 ZINC000321586759 1035688602 /nfs/dbraw/zinc/68/86/02/1035688602.db2.gz IQTOMKSRGQZFGI-NSHDSACASA-N -1 0 325.355 3.519 20 0 EHADRM Brc1cccc(CN=c2[n-]c(-c3ccccc3)no2)c1 ZINC000588162709 1035732643 /nfs/dbraw/zinc/73/26/43/1035732643.db2.gz VTCQKVKGCLOTCO-UHFFFAOYSA-N -1 0 330.185 3.533 20 0 EHADRM Brc1csc(CN=c2[n-]c(-c3ccccc3)no2)c1 ZINC000588161208 1035733384 /nfs/dbraw/zinc/73/33/84/1035733384.db2.gz LVDJITJKQLNMMO-UHFFFAOYSA-N -1 0 336.214 3.595 20 0 EHADRM CCOc1cc(C(=O)N[C@@H](C)c2cccc(O)c2)cc(Cl)c1O ZINC000186879742 1035733559 /nfs/dbraw/zinc/73/35/59/1035733559.db2.gz FSIOEECGTLBATB-JTQLQIEISA-N -1 0 335.787 3.641 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1cnc2ccccc2c1O ZINC000540852837 1035737086 /nfs/dbraw/zinc/73/70/86/1035737086.db2.gz LFIVDQNPDPMTCN-UHFFFAOYSA-N -1 0 349.173 3.793 20 0 EHADRM COc1ccc(/C=C\c2cc(C(=O)[O-])ncn2)cc1OCCC(C)C ZINC000534880179 1035740123 /nfs/dbraw/zinc/74/01/23/1035740123.db2.gz SDSYUZFCATUFIT-XQRVVYSFSA-N -1 0 342.395 3.779 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000318605119 1035744628 /nfs/dbraw/zinc/74/46/28/1035744628.db2.gz CJWGKYAHIBHCHA-CKLFPEKLSA-N -1 0 343.210 3.710 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1cnc(-c2cccnc2)s1 ZINC000534917051 1035758274 /nfs/dbraw/zinc/75/82/74/1035758274.db2.gz MBXXHAPGZBEFIG-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)[N-]S(=O)(=O)c2cccc(C(C)=O)c2)C1(C)C ZINC000045087685 1035783689 /nfs/dbraw/zinc/78/36/89/1035783689.db2.gz NSHDFLRCDJXJDA-HZPDHXFCSA-N -1 0 349.452 3.773 20 0 EHADRM C[C@H]1CCN(C(=O)N=c2[n-]nc(C3CC3)s2)CC12CCCCC2 ZINC000571937638 1035841024 /nfs/dbraw/zinc/84/10/24/1035841024.db2.gz BDUCHGYXBMNJDR-LBPRGKRZSA-N -1 0 334.489 3.662 20 0 EHADRM O=C(N=c1[n-]ncn1Cc1ccccc1)c1ccc(C2CCCC2)cc1 ZINC000571929898 1035864382 /nfs/dbraw/zinc/86/43/82/1035864382.db2.gz DFKNMWVMUXRCFM-UHFFFAOYSA-N -1 0 346.434 3.658 20 0 EHADRM CC(C)n1cc([C@H](C)NC(=O)c2c([O-])cc(Cl)cc2Cl)cn1 ZINC000535006183 1035895063 /nfs/dbraw/zinc/89/50/63/1035895063.db2.gz RUOONNQDHWOIED-VIFPVBQESA-N -1 0 342.226 3.967 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)c1 ZINC000174250283 1035900000 /nfs/dbraw/zinc/90/00/00/1035900000.db2.gz VQNOKXPYHSDMEW-UHFFFAOYSA-N -1 0 331.315 3.520 20 0 EHADRM Cc1cc(F)cc(C(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)c1 ZINC000463836447 1035900205 /nfs/dbraw/zinc/90/02/05/1035900205.db2.gz QRELHAFYKCJTEW-UHFFFAOYSA-N -1 0 347.802 3.980 20 0 EHADRM CC(C)C[C@H](Cc1cccc(-c2cnc3c(c2)CC(=O)N3)c1)C(=O)[O-] ZINC000521372045 1035922441 /nfs/dbraw/zinc/92/24/41/1035922441.db2.gz VQPWYXBGAHVJKX-MRXNPFEDSA-N -1 0 338.407 3.533 20 0 EHADRM CCC(CC)(CNC(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2)C(=O)[O-] ZINC000392672933 1035930662 /nfs/dbraw/zinc/93/06/62/1035930662.db2.gz MKENZOYUVWDASB-QCHPOJQSSA-N -1 0 335.488 3.990 20 0 EHADRM C[C@@H](Oc1ccc(-c2ccccc2OC[C@H]2CCOC2)cc1)C(=O)[O-] ZINC000572015344 1035949450 /nfs/dbraw/zinc/94/94/50/1035949450.db2.gz LQQHZUJZMCCRJH-CABCVRRESA-N -1 0 342.391 3.621 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccccc2-c2ccno2)ccc1F ZINC000541075370 1035957236 /nfs/dbraw/zinc/95/72/36/1035957236.db2.gz SINFLWKJYHDAPC-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM CCCCn1ncc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1C ZINC000535138599 1036067984 /nfs/dbraw/zinc/06/79/84/1036067984.db2.gz PWTWCOUREKONLT-UHFFFAOYSA-N -1 0 345.827 3.585 20 0 EHADRM C[C@H](Oc1cccc(-c2cccc(CO[C@H]3CCOC3)c2)c1)C(=O)[O-] ZINC000572379649 1036093399 /nfs/dbraw/zinc/09/33/99/1036093399.db2.gz MOHFQDNLMNJQCV-LIRRHRJNSA-N -1 0 342.391 3.511 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cc(F)ccc2OCC2CC2)CCCC1 ZINC000190204818 1036205707 /nfs/dbraw/zinc/20/57/07/1036205707.db2.gz LFURBMHMNHESDG-UHFFFAOYSA-N -1 0 335.375 3.588 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(Cl)cc2O)[C@@H](c2ccccc2)CO1 ZINC000175435261 1036379665 /nfs/dbraw/zinc/37/96/65/1036379665.db2.gz QCZQFPGJTQZWJF-MLGOLLRUSA-N -1 0 331.799 3.648 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nc(C3CCC3)cs2)c(F)c1 ZINC000572587119 1036392157 /nfs/dbraw/zinc/39/21/57/1036392157.db2.gz AZWRJZGLVAAPGY-UHFFFAOYSA-N -1 0 326.418 3.659 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N2C[C@@H](C)CC[C@H]2C)s1 ZINC000572573557 1036414760 /nfs/dbraw/zinc/41/47/60/1036414760.db2.gz FDDDHGFUMFUEQI-CMPLNLGQSA-N -1 0 348.447 3.727 20 0 EHADRM Cc1cc(F)c(CN=c2[n-]nc(C3CCOCC3)s2)c(Cl)c1 ZINC000414295688 1036508670 /nfs/dbraw/zinc/50/86/70/1036508670.db2.gz DNHLXIJSMIUULW-UHFFFAOYSA-N -1 0 341.839 3.567 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cnc(C(F)(F)F)cc2C)c1 ZINC000685902728 1036514301 /nfs/dbraw/zinc/51/43/01/1036514301.db2.gz ZSYZEQSYVKOYLC-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM O=C(N[C@@H](c1cccs1)C1CC1)c1cc(F)c(F)c([O-])c1F ZINC000541641226 1036534298 /nfs/dbraw/zinc/53/42/98/1036534298.db2.gz RHYIJVOGNQIYJY-CYBMUJFWSA-N -1 0 327.327 3.752 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(c2ccc3cccc(Br)c3n2)C1 ZINC000263169888 1036602996 /nfs/dbraw/zinc/60/29/96/1036602996.db2.gz JFNYZHNZLXWEIG-JQWIXIFHSA-N -1 0 349.228 3.544 20 0 EHADRM CC[C@@H](C)CN(CC)C(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC000176382987 1036610936 /nfs/dbraw/zinc/61/09/36/1036610936.db2.gz KASPSWWOGGCLNA-GFCCVEGCSA-N -1 0 333.407 3.534 20 0 EHADRM Cc1ccc2sc(C(=O)N=c3nc4cc(Cl)ccn4[n-]3)cc2c1 ZINC000464642642 1036617828 /nfs/dbraw/zinc/61/78/28/1036617828.db2.gz LRCDRNTZRHLLRD-UHFFFAOYSA-N -1 0 342.811 3.580 20 0 EHADRM Cc1nc(CN([C@H](C)C(=O)[O-])C2CC2)oc1-c1ccc(Cl)cc1 ZINC000263198116 1036620353 /nfs/dbraw/zinc/62/03/53/1036620353.db2.gz WUDZUFLDJSJBII-LLVKDONJSA-N -1 0 334.803 3.741 20 0 EHADRM [O-]c1c(Br)cccc1-c1nc(COc2ccccc2)no1 ZINC000541777632 1036632782 /nfs/dbraw/zinc/63/27/82/1036632782.db2.gz GLUWZYIVGNQMAZ-UHFFFAOYSA-N -1 0 347.168 3.784 20 0 EHADRM CCS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](C)CCC(C)(C)C)c1 ZINC000541769081 1036642073 /nfs/dbraw/zinc/64/20/73/1036642073.db2.gz WYEUDVNIUHYFAY-GFCCVEGCSA-N -1 0 341.473 3.587 20 0 EHADRM CCn1cc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c2ccccc21 ZINC000249814572 1036658511 /nfs/dbraw/zinc/65/85/11/1036658511.db2.gz APXWXTXSPQMWRE-QBIMZIAESA-N -1 0 340.423 3.519 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)c2ccc(Cl)c(Cl)c2)s[n-]1 ZINC000589935914 1036667453 /nfs/dbraw/zinc/66/74/53/1036667453.db2.gz IZILYXMUKXRJSK-UHFFFAOYSA-N -1 0 330.240 3.817 20 0 EHADRM Cc1n[n-]c(=NC(=O)N[C@@H](C)c2ccc(Cl)c3ccccc32)s1 ZINC000462249934 1036737648 /nfs/dbraw/zinc/73/76/48/1036737648.db2.gz XRCDBLMNMPFFGI-VIFPVBQESA-N -1 0 346.843 3.958 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(c2nc3cc(Cl)cc(Cl)c3o2)C1 ZINC000263290475 1036759035 /nfs/dbraw/zinc/75/90/35/1036759035.db2.gz YQYVDWKFEIQWSR-JGVFFNPUSA-N -1 0 329.183 3.682 20 0 EHADRM Cc1cccc(N(C)C(=O)c2nn(-c3cc(C)ccc3F)cc2[O-])c1 ZINC000539447855 1036769194 /nfs/dbraw/zinc/76/91/94/1036769194.db2.gz JZRXRDUCLIEHSO-UHFFFAOYSA-N -1 0 339.370 3.610 20 0 EHADRM CCOCCC1(C(=O)Nc2cc(C(=O)CC)ccc2[O-])CCCC1 ZINC000428549124 1036773008 /nfs/dbraw/zinc/77/30/08/1036773008.db2.gz PNHSYDUBUQCQTC-UHFFFAOYSA-N -1 0 333.428 3.910 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)Cc2ccc(C(=O)[O-])cc2)c1C ZINC000263327141 1036777533 /nfs/dbraw/zinc/77/75/33/1036777533.db2.gz KXEYGLDYHZJACT-LJQANCHMSA-N -1 0 337.419 3.908 20 0 EHADRM CCN(C(=O)Cc1ccc(C(=O)[O-])cc1)[C@H](C)c1cccc(OC)c1 ZINC000263325179 1036777956 /nfs/dbraw/zinc/77/79/56/1036777956.db2.gz KDEIBTJNXBGISZ-CQSZACIVSA-N -1 0 341.407 3.546 20 0 EHADRM COc1cc(C)c(NC(=O)c2c(C)ccc(C)c2C(=O)[O-])cc1OC ZINC000327973918 1036785874 /nfs/dbraw/zinc/78/58/74/1036785874.db2.gz KZSTWHCCRRSCMH-UHFFFAOYSA-N -1 0 343.379 3.580 20 0 EHADRM C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)CCCCC(=O)[O-] ZINC000263340299 1036791885 /nfs/dbraw/zinc/79/18/85/1036791885.db2.gz XHWNIGPCMCKALF-CQSZACIVSA-N -1 0 335.444 3.513 20 0 EHADRM Cc1cccc([C@H]2CCCCCN2C(=O)c2cc(C(=O)[O-])ccn2)c1 ZINC000263416002 1036883210 /nfs/dbraw/zinc/88/32/10/1036883210.db2.gz NYEZVTVIBGYXTD-GOSISDBHSA-N -1 0 338.407 3.846 20 0 EHADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)Nc2cccc(C)c2C)cc1 ZINC000237744319 1036901570 /nfs/dbraw/zinc/90/15/70/1036901570.db2.gz CEQUVHDMDYSEJO-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM CCCc1cnc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)s1 ZINC000539553395 1036916768 /nfs/dbraw/zinc/91/67/68/1036916768.db2.gz ZOKJCDKAIAZTBY-UHFFFAOYSA-N -1 0 330.862 3.858 20 0 EHADRM CCc1cccc(S(=O)(=O)Nc2ccc(-c3cnco3)cc2)c1 ZINC000176456177 1036966342 /nfs/dbraw/zinc/96/63/42/1036966342.db2.gz HBWTUKYKKCFZAX-UHFFFAOYSA-N -1 0 328.393 3.705 20 0 EHADRM Cc1ccccc1SCC(=O)N[C@@H](CC(=O)[O-])C1CCCCC1 ZINC000539613049 1036977348 /nfs/dbraw/zinc/97/73/48/1036977348.db2.gz ISWLCKLHVOHVHC-HNNXBMFYSA-N -1 0 335.469 3.627 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000263495142 1036981152 /nfs/dbraw/zinc/98/11/52/1036981152.db2.gz QKARJYZSVROINN-UHFFFAOYSA-N -1 0 334.416 3.773 20 0 EHADRM Cc1ccc(CCCC(=O)NCC2(CC(=O)[O-])CCCCC2)cc1 ZINC000539675596 1037053697 /nfs/dbraw/zinc/05/36/97/1037053697.db2.gz VQDKTSZGONLIKE-UHFFFAOYSA-N -1 0 331.456 3.859 20 0 EHADRM CCOc1cc(C(=O)NCc2ccc(C)cc2OC)cc(Cl)c1O ZINC000186861578 1037079765 /nfs/dbraw/zinc/07/97/65/1037079765.db2.gz PWXXIGLAPWOKEA-UHFFFAOYSA-N -1 0 349.814 3.691 20 0 EHADRM CC(=CC(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000054429358 1037084648 /nfs/dbraw/zinc/08/46/48/1037084648.db2.gz LZIQRZZWGAKVFT-LUAWRHEFSA-N -1 0 337.347 3.714 20 0 EHADRM Cc1cc(C(=O)N=c2[n-]nc(-c3cccc(Cl)c3)s2)ccc1F ZINC000504911563 1037124455 /nfs/dbraw/zinc/12/44/55/1037124455.db2.gz IGKDYBKGWBZQNK-UHFFFAOYSA-N -1 0 347.802 3.980 20 0 EHADRM CCOc1ccc(/C=C(/C(=O)C(=O)[O-])c2ccc3ccccc3n2)cc1 ZINC000057826032 1037197559 /nfs/dbraw/zinc/19/75/59/1037197559.db2.gz SGPVUIZQBKMMDA-GHRIWEEISA-N -1 0 347.370 3.828 20 0 EHADRM Cc1ccccc1[C@H](C)N(CC(C)C)C(=O)NCCCCC(=O)[O-] ZINC000666559107 1037208205 /nfs/dbraw/zinc/20/82/05/1037208205.db2.gz PYAVDDPMSFEPBY-INIZCTEOSA-N -1 0 334.460 3.979 20 0 EHADRM CC(C)C[C@@H]1CCN(C(=O)c2cccc(Br)c2[O-])C1 ZINC000539871722 1037305113 /nfs/dbraw/zinc/30/51/13/1037305113.db2.gz GILWQYUWAVFAMX-NSHDSACASA-N -1 0 326.234 3.663 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)[C@H]1CC[C@H](C2CCC2)CC1)c1cccs1 ZINC000659120512 1037311079 /nfs/dbraw/zinc/31/10/79/1037311079.db2.gz NHFKJUOYBMUJDH-RBSFLKMASA-N -1 0 335.469 3.987 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])NC(=O)C2CCC(C3CC3)CC2)c1 ZINC000659126814 1037313285 /nfs/dbraw/zinc/31/32/85/1037313285.db2.gz PJDOXRWFHLMQLQ-JTTJXQCZSA-N -1 0 345.439 3.544 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2CC[C@H](c3cc(C)cc(C)c3)C2)s1 ZINC000542357905 1037317322 /nfs/dbraw/zinc/31/73/22/1037317322.db2.gz VBPWJLKUWKWBGL-AWEZNQCLSA-N -1 0 344.484 3.551 20 0 EHADRM CCCn1ncc([N-]S(=O)(=O)c2cc3ccccc3o2)c1C1CC1 ZINC000573196910 1037351333 /nfs/dbraw/zinc/35/13/33/1037351333.db2.gz WNNSCOMFFWIQAP-UHFFFAOYSA-N -1 0 345.424 3.718 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[C@H]1c1ccccc1Cl ZINC000659139967 1037355924 /nfs/dbraw/zinc/35/59/24/1037355924.db2.gz IKMFROAVZHUWRC-AWEZNQCLSA-N -1 0 333.771 3.917 20 0 EHADRM O=C(/C=C/c1cnc2ccccc2n1)Nc1c(O)cccc1Cl ZINC000493430399 1037358077 /nfs/dbraw/zinc/35/80/77/1037358077.db2.gz UINNEJFFMAIWHA-CMDGGOBGSA-N -1 0 325.755 3.641 20 0 EHADRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)C1CCC2(CC2)CC1 ZINC000659147604 1037368436 /nfs/dbraw/zinc/36/84/36/1037368436.db2.gz UDCDZFJPTYBOQD-KRWDZBQOSA-N -1 0 329.440 3.549 20 0 EHADRM CC(C)(C(=O)[O-])n1cc(NC(=O)c2cccc(C3CCCC3)c2)cn1 ZINC000659149503 1037373176 /nfs/dbraw/zinc/37/31/76/1037373176.db2.gz YSICJOHKKYJYDW-UHFFFAOYSA-N -1 0 341.411 3.613 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)c1ccc(C2CC2)cc1)c1cccc(F)c1 ZINC000659150395 1037375670 /nfs/dbraw/zinc/37/56/70/1037375670.db2.gz BWJKCWTWETVSFV-FQEVSTJZSA-N -1 0 341.382 3.823 20 0 EHADRM CC[C@](CNC(=O)C1CCC2(CC2)CC1)(C(=O)[O-])c1ccccc1 ZINC000659158614 1037381109 /nfs/dbraw/zinc/38/11/09/1037381109.db2.gz HDKANNQCPWZEPE-HXUWFJFHSA-N -1 0 329.440 3.506 20 0 EHADRM Cc1ccc(C(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)cc1C ZINC000058036087 1037396254 /nfs/dbraw/zinc/39/62/54/1037396254.db2.gz RCSPNRKZJSJWLK-UHFFFAOYSA-N -1 0 341.432 3.925 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N(CC)CCC(F)(F)F)s1 ZINC000591483168 1037445877 /nfs/dbraw/zinc/44/58/77/1037445877.db2.gz YEDDJVCKFZAQDM-UHFFFAOYSA-N -1 0 338.399 3.670 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2ccc(C(C)C)cc2)n1 ZINC000659187193 1037451610 /nfs/dbraw/zinc/45/16/10/1037451610.db2.gz OELWNUNNFPVOFO-HNNXBMFYSA-N -1 0 329.400 3.685 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2ccc(C(C)C)cc2)n1 ZINC000659187194 1037451980 /nfs/dbraw/zinc/45/19/80/1037451980.db2.gz OELWNUNNFPVOFO-OAHLLOKOSA-N -1 0 329.400 3.685 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)C(C)(C)c2ccc(C)cc2)n1 ZINC000659188139 1037452252 /nfs/dbraw/zinc/45/22/52/1037452252.db2.gz SXLVJYXMFJFFQV-HNNXBMFYSA-N -1 0 343.427 3.534 20 0 EHADRM COc1nc(C(F)(F)F)ccc1-c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000519836042 1037456274 /nfs/dbraw/zinc/45/62/74/1037456274.db2.gz ZLFMMSPOBWEOMV-VIFPVBQESA-N -1 0 341.285 3.628 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCCc2cccs2)[C@@H]2CCCC[C@@H]12 ZINC000659192150 1037458449 /nfs/dbraw/zinc/45/84/49/1037458449.db2.gz GBEIJRCPTFGQPM-ARFHVFGLSA-N -1 0 335.469 3.563 20 0 EHADRM CC(C)(CN=c1nc(-c2ccccc2)[n-]s1)Oc1ccccc1 ZINC000462836868 1037460877 /nfs/dbraw/zinc/46/08/77/1037460877.db2.gz DUCIYRRJJZCOFG-UHFFFAOYSA-N -1 0 325.437 3.897 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)C/C=C/c2ccc(F)cc2)[C@@H]2CCCC[C@@H]12 ZINC000659194440 1037465603 /nfs/dbraw/zinc/46/56/03/1037465603.db2.gz LJLPPTFMHPHYEH-BRMSOJTESA-N -1 0 345.414 3.721 20 0 EHADRM CCOC(=O)Nc1ccc(C(=O)Nc2cccc(Cl)c2[O-])cc1 ZINC000491463390 1037489519 /nfs/dbraw/zinc/48/95/19/1037489519.db2.gz KVBKEQGNISUSCT-UHFFFAOYSA-N -1 0 334.759 3.866 20 0 EHADRM Cc1ccc2sc(NC(=O)c3cnc(C4CC4)[nH]c3=O)nc2c1C ZINC000913661204 1037493859 /nfs/dbraw/zinc/49/38/59/1037493859.db2.gz DMLAAYQOPXZZEX-UHFFFAOYSA-N -1 0 340.408 3.538 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CCC[C@@H](C2CCC2)C1)C(=O)[O-] ZINC000659227567 1037534883 /nfs/dbraw/zinc/53/48/83/1037534883.db2.gz LQHAVESFMGBFDY-DZGCQCFKSA-N -1 0 347.480 3.904 20 0 EHADRM Cc1cccc2c1CCC[C@H]2NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000659234354 1037548777 /nfs/dbraw/zinc/54/87/77/1037548777.db2.gz RZJQIPWSMFYDLT-JTTJXQCZSA-N -1 0 329.440 3.770 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)N[C@@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000659237124 1037551189 /nfs/dbraw/zinc/55/11/89/1037551189.db2.gz AFDVLEHCGBLNDB-CZUORRHYSA-N -1 0 341.860 3.825 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)C1CCC(c2ccccc2)CC1 ZINC000659235985 1037552051 /nfs/dbraw/zinc/55/20/51/1037552051.db2.gz DSJNKVQUWGVHJE-AEBIURJHSA-N -1 0 329.440 3.720 20 0 EHADRM COc1ccc2sc(C(=O)N[C@@H]3CCC[C@@]3(C)C(=O)[O-])c(C)c2c1 ZINC000659239243 1037563641 /nfs/dbraw/zinc/56/36/41/1037563641.db2.gz ZKHKCDIRUOYVKZ-RDTXWAMCSA-N -1 0 347.436 3.592 20 0 EHADRM Cc1ccsc1CCNC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1 ZINC000540156590 1037632714 /nfs/dbraw/zinc/63/27/14/1037632714.db2.gz UFGIEKFQRYEWRA-GOSISDBHSA-N -1 0 337.485 3.777 20 0 EHADRM CCO[C@H]1C[C@@H](N=c2[n-]nc(-c3ccccc3)s2)C12CCCC2 ZINC000463026032 1037656812 /nfs/dbraw/zinc/65/68/12/1037656812.db2.gz UVLMDAUGJCZBNZ-CABCVRRESA-N -1 0 329.469 3.777 20 0 EHADRM Cc1cc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)c2ccccc2n1 ZINC000669435210 1037833059 /nfs/dbraw/zinc/83/30/59/1037833059.db2.gz YNSPNZIPQJUHQD-MRXNPFEDSA-N -1 0 346.386 3.762 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N[C@@H](C)CCCC(F)(F)F)s1 ZINC000494174703 1037883180 /nfs/dbraw/zinc/88/31/80/1037883180.db2.gz BLNZLRRHZUHDBT-VIFPVBQESA-N -1 0 338.399 3.545 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)Cc1coc2ccc3ccccc3c12 ZINC000532618085 1037934290 /nfs/dbraw/zinc/93/42/90/1037934290.db2.gz VOZYLLXKGUYKAQ-CYBMUJFWSA-N -1 0 339.391 3.840 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1C ZINC000540497933 1038018686 /nfs/dbraw/zinc/01/86/86/1038018686.db2.gz IVQLLAKVDDCZCX-ZDUSSCGKSA-N -1 0 347.484 3.842 20 0 EHADRM O=C([O-])Cc1cscc1-c1ccc(OC[C@@H]2CCCCO2)cc1 ZINC000520253867 1038035119 /nfs/dbraw/zinc/03/51/19/1038035119.db2.gz BRPLAXNFUCYXCZ-INIZCTEOSA-N -1 0 332.421 3.990 20 0 EHADRM CS(=O)(=O)c1ccc(-c2ccc(CCCCC(=O)[O-])cc2)cc1 ZINC000520254076 1038035312 /nfs/dbraw/zinc/03/53/12/1038035312.db2.gz JSNKKFOYAZVILD-UHFFFAOYSA-N -1 0 332.421 3.555 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccccc2-c2ccccc2)CC[C@H]1C(=O)[O-] ZINC000327682706 1038038948 /nfs/dbraw/zinc/03/89/48/1038038948.db2.gz OEHKGASHYUKAQS-GOEBONIOSA-N -1 0 338.407 3.928 20 0 EHADRM Cc1ccc(F)c(-c2noc(C(=O)[N-]c3c(F)cccc3F)n2)c1 ZINC001212171639 1038054393 /nfs/dbraw/zinc/05/43/93/1038054393.db2.gz YAYKCSOWDQRDTD-UHFFFAOYSA-N -1 0 333.269 3.715 20 0 EHADRM C[C@]([N-]S(=O)(=O)c1ccc(F)cc1)(c1ccccc1)C(F)(F)F ZINC000463381410 1038086106 /nfs/dbraw/zinc/08/61/06/1038086106.db2.gz NEVRWAKBMXQJOD-AWEZNQCLSA-N -1 0 347.333 3.582 20 0 EHADRM O=C(c1cc(F)cc(Br)c1[O-])N(CC1CC1)CC1CC1 ZINC000416166974 1038266262 /nfs/dbraw/zinc/26/62/62/1038266262.db2.gz PDLXOWIFCKUIIH-UHFFFAOYSA-N -1 0 342.208 3.556 20 0 EHADRM Cn1ccc2c1cccc2NC(=O)c1ccc(Br)c([O-])c1 ZINC000536537233 1038330522 /nfs/dbraw/zinc/33/05/22/1038330522.db2.gz MZKJDFOEEUQLRH-UHFFFAOYSA-N -1 0 345.196 3.899 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N[C@H]2CCCC[C@H]2c2ccccc2)c1 ZINC000538577932 1038399278 /nfs/dbraw/zinc/39/92/78/1038399278.db2.gz ZVVPWVZSDBJNAA-OALUTQOASA-N -1 0 337.419 3.770 20 0 EHADRM CC(C)(C)Cc1n[n-]c(=NCc2cc(F)cc(C(F)(F)F)c2)o1 ZINC000538593042 1038405228 /nfs/dbraw/zinc/40/52/28/1038405228.db2.gz RBPCATKZEKWPLF-UHFFFAOYSA-N -1 0 331.313 3.850 20 0 EHADRM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c3ncccc23)cc1 ZINC000194287745 1038435234 /nfs/dbraw/zinc/43/52/34/1038435234.db2.gz FHNWBWMVMOYHBE-UHFFFAOYSA-N -1 0 340.404 3.547 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@H](c2ccccc2)C(C)C)cc1 ZINC000107944448 1038473695 /nfs/dbraw/zinc/47/36/95/1038473695.db2.gz IWQIJDCLXKIGSF-CVDCTZTESA-N -1 0 329.465 3.616 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c(O)c1 ZINC000538843187 1038569432 /nfs/dbraw/zinc/56/94/32/1038569432.db2.gz OTVAVOOGTMDZHG-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM CCCc1nsc(Sc2n[n-]c(=NCc3ccccc3)s2)n1 ZINC000461721979 1038584903 /nfs/dbraw/zinc/58/49/03/1038584903.db2.gz WTQRTDSKGSDORE-UHFFFAOYSA-N -1 0 349.510 3.527 20 0 EHADRM CCc1nc(=N[C@H](COc2ccccc2)c2ccccc2)s[n-]1 ZINC000538925085 1038607094 /nfs/dbraw/zinc/60/70/94/1038607094.db2.gz HAKSTNOXFPILEQ-MRXNPFEDSA-N -1 0 325.437 3.755 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CC[N@@H+]1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000323481418 1038624398 /nfs/dbraw/zinc/62/43/98/1038624398.db2.gz ZDMPVZKYBWKLRL-DGCLKSJQSA-N -1 0 334.803 3.680 20 0 EHADRM Cc1ccccc1N=c1[n-]nc(-c2ccoc2)n1C[C@@H]1CCCCO1 ZINC000461850079 1038632960 /nfs/dbraw/zinc/63/29/60/1038632960.db2.gz KRCRFXRNLYJWRI-INIZCTEOSA-N -1 0 338.411 3.581 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1 ZINC000378475610 1038650812 /nfs/dbraw/zinc/65/08/12/1038650812.db2.gz MVFXESLEJJFRBO-UHFFFAOYSA-N -1 0 347.798 3.927 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2n[nH]c(-c3ccccc3)c2C)sc1C ZINC000539110809 1038702233 /nfs/dbraw/zinc/70/22/33/1038702233.db2.gz ROERGBVZTMSCKS-UHFFFAOYSA-N -1 0 347.465 3.864 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)c2ccc3oc(=O)nc-3[n-]2)cc1C ZINC000667209885 1038710089 /nfs/dbraw/zinc/71/00/89/1038710089.db2.gz KNISCUJWXYBJOV-OAHLLOKOSA-N -1 0 337.379 3.523 20 0 EHADRM COc1c(C)cc(C(=O)N=c2nc(-c3ccccc3)[n-]s2)cc1C ZINC000539152071 1038714859 /nfs/dbraw/zinc/71/48/59/1038714859.db2.gz IDKVWXVBNVSARO-UHFFFAOYSA-N -1 0 339.420 3.505 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)Nc3cccc4c3CCCC4)cc2=O)cc1 ZINC000462022233 1038723065 /nfs/dbraw/zinc/72/30/65/1038723065.db2.gz IAGCRFYQHJVJDU-UHFFFAOYSA-N -1 0 347.418 3.605 20 0 EHADRM CS[C@H](C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)c1ccccc1 ZINC000910298659 1038815697 /nfs/dbraw/zinc/81/56/97/1038815697.db2.gz NNFKKLKQEFBMML-BBWFWOEESA-N -1 0 341.432 3.918 20 0 EHADRM O=C([O-])c1ccc(C(F)(F)F)nc1N1CCC[C@]2(CCSC2)C1 ZINC000910308553 1038819748 /nfs/dbraw/zinc/81/97/48/1038819748.db2.gz LUSKVWYRODPEQM-AWEZNQCLSA-N -1 0 346.374 3.522 20 0 EHADRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@](C)(CC(=O)[O-])C1CC1 ZINC000910319587 1038823620 /nfs/dbraw/zinc/82/36/20/1038823620.db2.gz SQCYKMQLJRNLOU-QGZVFWFLSA-N -1 0 334.803 3.503 20 0 EHADRM O=C([O-])c1csc([C@@H]2CCCN2c2nccc3sccc32)n1 ZINC000910315359 1038825063 /nfs/dbraw/zinc/82/50/63/1038825063.db2.gz PKKXHYKXGGTMNB-NSHDSACASA-N -1 0 331.422 3.793 20 0 EHADRM C[C@@]1(C(F)(F)F)CCN(c2nc(C(F)(F)F)ccc2C(=O)[O-])C1 ZINC000910327360 1038849335 /nfs/dbraw/zinc/84/93/35/1038849335.db2.gz IRYGVPYEXMQEMU-LLVKDONJSA-N -1 0 342.239 3.577 20 0 EHADRM CC(C)CCc1nc(CN[C@@H](C(=O)[O-])c2ccccc2F)cs1 ZINC000905376305 1038851848 /nfs/dbraw/zinc/85/18/48/1038851848.db2.gz LVCCSAOXGODCBM-MRXNPFEDSA-N -1 0 336.432 3.786 20 0 EHADRM CC(C)n1c2ccccc2nc1[C@@H]1CCCN1c1nc(C(=O)[O-])co1 ZINC000910356664 1038852036 /nfs/dbraw/zinc/85/20/36/1038852036.db2.gz FJXQGSVHTJDUEA-HNNXBMFYSA-N -1 0 340.383 3.645 20 0 EHADRM CC/C(C)=C(/C)C(=O)N1CCC(c2nc(C)c(C(=O)[O-])s2)CC1 ZINC000910357743 1038854669 /nfs/dbraw/zinc/85/46/69/1038854669.db2.gz PRIOIKHCPJSNST-KHPPLWFESA-N -1 0 336.457 3.602 20 0 EHADRM Cc1cccc([C@@H](NCc2cc(C(F)(F)F)co2)C(=O)[O-])c1C ZINC000905403177 1038862080 /nfs/dbraw/zinc/86/20/80/1038862080.db2.gz ZHOYRGRALVZBKW-CQSZACIVSA-N -1 0 327.302 3.831 20 0 EHADRM COc1ccccc1[C@H]1CCCN(C(=O)C(C)(C)CCC(=O)[O-])CC1 ZINC000910364744 1038862749 /nfs/dbraw/zinc/86/27/49/1038862749.db2.gz MRUFJSUXBZOAIW-HNNXBMFYSA-N -1 0 347.455 3.682 20 0 EHADRM Cc1ccc(CCC(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)s1 ZINC000910366462 1038863755 /nfs/dbraw/zinc/86/37/55/1038863755.db2.gz CUXOYTIKMDYOGJ-ZDUSSCGKSA-N -1 0 329.421 3.594 20 0 EHADRM O=C([O-])CC1(CC(=O)N2CC[C@]3(CCc4ccccc43)C2)CCCC1 ZINC000910381173 1038890307 /nfs/dbraw/zinc/89/03/07/1038890307.db2.gz JBUWBYAZCQRFPI-OAQYLSRUSA-N -1 0 341.451 3.528 20 0 EHADRM CC1(C)[C@@H](c2ccc(F)c(F)c2)CCN1C(=O)c1cc(C(=O)[O-])co1 ZINC000910412435 1038900507 /nfs/dbraw/zinc/90/05/07/1038900507.db2.gz WYULKAUZLZJDGZ-GFCCVEGCSA-N -1 0 349.333 3.664 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000910472294 1038930350 /nfs/dbraw/zinc/93/03/50/1038930350.db2.gz OICFQNDTDQXQKH-LVQVYYBASA-N -1 0 341.432 3.589 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N2C[C@@H]3CC[C@H]2c2ccccc23)CC1 ZINC000910520348 1038943570 /nfs/dbraw/zinc/94/35/70/1038943570.db2.gz RXRREYRHWLSUHG-GULCKSEBSA-N -1 0 327.424 3.728 20 0 EHADRM CCc1c(NC(=O)CC2(CC(=O)[O-])CCCC2)cnn1CCC(C)C ZINC000910657200 1039005803 /nfs/dbraw/zinc/00/58/03/1039005803.db2.gz YGTKXECPDDQFEB-UHFFFAOYSA-N -1 0 349.475 3.855 20 0 EHADRM CCOC(=O)c1coc(=N[C@@H](C)c2cc(F)c(Cl)cc2Cl)[n-]1 ZINC000418809919 1039007690 /nfs/dbraw/zinc/00/76/90/1039007690.db2.gz AQNAJFLURNKTSJ-ZETCQYMHSA-N -1 0 347.173 3.892 20 0 EHADRM CCSCc1cccnc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000910683433 1039020763 /nfs/dbraw/zinc/02/07/63/1039020763.db2.gz HGQWCYVQNUBZSA-UHFFFAOYSA-N -1 0 336.457 3.698 20 0 EHADRM CSc1ccc(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)cc1 ZINC000910738293 1039045078 /nfs/dbraw/zinc/04/50/78/1039045078.db2.gz ZZVDKTHCODKGNS-UHFFFAOYSA-N -1 0 334.422 3.693 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)[C@H](C)C2CCCC2)nc1C(=O)[O-] ZINC000910717974 1039055504 /nfs/dbraw/zinc/05/55/04/1039055504.db2.gz JSYGYYPJELOUAP-ZWNOBZJWSA-N -1 0 336.457 3.640 20 0 EHADRM CC[C@@H](C)Oc1cc(C)ccc1CNCc1ccc(C(=O)[O-])cn1 ZINC000905726302 1039063318 /nfs/dbraw/zinc/06/33/18/1039063318.db2.gz OPKAATCNOPOLPQ-CQSZACIVSA-N -1 0 328.412 3.555 20 0 EHADRM CSc1cccc(C)c1[N-]S(=O)(=O)c1sc(C)nc1C ZINC000185337532 1039080208 /nfs/dbraw/zinc/08/02/08/1039080208.db2.gz DPFQGFRDSFMRFP-UHFFFAOYSA-N -1 0 328.484 3.591 20 0 EHADRM Cc1sc(NC(=O)CCc2ccc(C(F)F)cc2)nc1C(=O)[O-] ZINC000910779341 1039085138 /nfs/dbraw/zinc/08/51/38/1039085138.db2.gz FQYSIKBXNAEIQG-UHFFFAOYSA-N -1 0 340.351 3.659 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)NCC(C)(C)CC(=O)[O-] ZINC000910822832 1039098577 /nfs/dbraw/zinc/09/85/77/1039098577.db2.gz KJXKKSXBNVRRAI-UHFFFAOYSA-N -1 0 329.849 3.683 20 0 EHADRM CCCc1nc(=NC(=O)C2(Cc3ccc(Cl)cc3)CC2)s[n-]1 ZINC000552273449 1039147777 /nfs/dbraw/zinc/14/77/77/1039147777.db2.gz AVFXRDPPVLIVDR-UHFFFAOYSA-N -1 0 335.860 3.527 20 0 EHADRM Cc1cccc([C@H]([N-]S(=O)(=O)c2ccc(F)cc2)C(F)(F)F)c1 ZINC000512442542 1039169025 /nfs/dbraw/zinc/16/90/25/1039169025.db2.gz ZKOFSMSMWDMFIM-AWEZNQCLSA-N -1 0 347.333 3.716 20 0 EHADRM CCN(C(=O)c1sc([C@@H](C)OC)nc1C)c1cccc(C(=O)[O-])c1 ZINC000910968368 1039171785 /nfs/dbraw/zinc/17/17/85/1039171785.db2.gz VRMXAJGOVFQUOC-LLVKDONJSA-N -1 0 348.424 3.524 20 0 EHADRM CCN(C(=O)c1csc(CC(C)C)n1)c1cccc(C(=O)[O-])c1 ZINC000910968933 1039172933 /nfs/dbraw/zinc/17/29/33/1039172933.db2.gz WEXZTXSYGYZQFN-UHFFFAOYSA-N -1 0 332.425 3.707 20 0 EHADRM CC[C@H](CC(=O)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1)C(C)(C)C ZINC000911047716 1039212230 /nfs/dbraw/zinc/21/22/30/1039212230.db2.gz VIRPFYIMNIOKLL-VXGBXAGGSA-N -1 0 338.473 3.620 20 0 EHADRM O=S(=O)([N-]c1ccc2c3c(cccc31)CC2)c1c[nH]c2ncccc12 ZINC000108929187 1039249242 /nfs/dbraw/zinc/24/92/42/1039249242.db2.gz PPVWRHKXNPPILL-UHFFFAOYSA-N -1 0 349.415 3.616 20 0 EHADRM Cc1cc(NC(=O)c2ccc(C(=O)[O-])cc2F)ccc1N1CCCC1 ZINC000911213988 1039288166 /nfs/dbraw/zinc/28/81/66/1039288166.db2.gz MZIKZQDQYDHQHD-UHFFFAOYSA-N -1 0 342.370 3.685 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1ccnn1-c1ccccc1C ZINC000488576910 1039290406 /nfs/dbraw/zinc/29/04/06/1039290406.db2.gz ODDQMLMQQPJBCB-UHFFFAOYSA-N -1 0 341.436 3.544 20 0 EHADRM CCCOc1cccc(-c2noc(-c3cc(=O)[nH]c(C4CC4)n3)n2)c1 ZINC000906102468 1039303973 /nfs/dbraw/zinc/30/39/73/1039303973.db2.gz QVQMRNKECJUGTL-UHFFFAOYSA-N -1 0 338.367 3.565 20 0 EHADRM CC(C)(CCC(=O)[O-])C(=O)Nc1cccc(OCc2cscn2)c1 ZINC000911327024 1039324684 /nfs/dbraw/zinc/32/46/84/1039324684.db2.gz CAKMTFAZIZPKFV-UHFFFAOYSA-N -1 0 348.424 3.552 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OCC2CC2)s1 ZINC000480224809 1039325905 /nfs/dbraw/zinc/32/59/05/1039325905.db2.gz KANPCVSWBBJNRY-UHFFFAOYSA-N -1 0 341.429 3.785 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3Cc4ccc(Cl)cc4C3)(CC1)CC2 ZINC000911398196 1039351945 /nfs/dbraw/zinc/35/19/45/1039351945.db2.gz UDLBUKDPNSMRKN-UHFFFAOYSA-N -1 0 333.815 3.607 20 0 EHADRM C[C@@H](CC1CCCCC1)C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000237491617 1039375498 /nfs/dbraw/zinc/37/54/98/1039375498.db2.gz JEOBNRSTNWBAHB-YJBOKZPZSA-N -1 0 331.456 3.653 20 0 EHADRM C/C(=C/C(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1)c1ccc(F)cc1 ZINC000237566370 1039388785 /nfs/dbraw/zinc/38/87/85/1039388785.db2.gz CPMKDEROCTVDOV-IQQGHNRFSA-N -1 0 348.399 3.570 20 0 EHADRM CC[C@@H](C)Oc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000439990353 1039409453 /nfs/dbraw/zinc/40/94/53/1039409453.db2.gz DZGORFUDPWUHHG-LLVKDONJSA-N -1 0 331.343 3.954 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000261947141 1039418890 /nfs/dbraw/zinc/41/88/90/1039418890.db2.gz VUOLVKRUFDJAQT-QWHCGFSZSA-N -1 0 329.318 3.621 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1-c1ccc(NC(=O)C(C)(C)C)nc1 ZINC000906242185 1039427945 /nfs/dbraw/zinc/42/79/45/1039427945.db2.gz YXZNERJYAXHGTG-UHFFFAOYSA-N -1 0 342.395 3.505 20 0 EHADRM CC(C)(CCC(=O)[O-])C(=O)N[C@H](CCc1ccccc1)C(F)(F)F ZINC000911664922 1039444102 /nfs/dbraw/zinc/44/41/02/1039444102.db2.gz NPRYSDYGLACMSH-CYBMUJFWSA-N -1 0 345.361 3.557 20 0 EHADRM C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000911651308 1039448800 /nfs/dbraw/zinc/44/88/00/1039448800.db2.gz PXZILVBMBUBXFH-GDPRMGEGSA-N -1 0 342.222 3.550 20 0 EHADRM CC(C)(CCC(=O)[O-])C(=O)N1CC=C(c2cccc3ccccc32)C1 ZINC000911651816 1039449828 /nfs/dbraw/zinc/44/98/28/1039449828.db2.gz XENCEIGZDJWHEQ-UHFFFAOYSA-N -1 0 337.419 3.956 20 0 EHADRM C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000911680515 1039455269 /nfs/dbraw/zinc/45/52/69/1039455269.db2.gz YGRLQSTXLURCCQ-BXUZGUMPSA-N -1 0 343.345 3.507 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Nc2cc(C(=O)[O-])c(C)cc2F)cc1 ZINC000911681600 1039455732 /nfs/dbraw/zinc/45/57/32/1039455732.db2.gz MOEYVOZHLSHVTF-NSHDSACASA-N -1 0 345.370 3.973 20 0 EHADRM Cc1cc(F)c(NC(=O)CCCOCc2ccccc2)cc1C(=O)[O-] ZINC000911681604 1039457178 /nfs/dbraw/zinc/45/71/78/1039457178.db2.gz MWSVDOKNBHGBKN-UHFFFAOYSA-N -1 0 345.370 3.768 20 0 EHADRM CCc1ccccc1C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC000911737447 1039478113 /nfs/dbraw/zinc/47/81/13/1039478113.db2.gz DFYHIOXSSFRBEP-UHFFFAOYSA-N -1 0 327.380 3.987 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000238098437 1039488534 /nfs/dbraw/zinc/48/85/34/1039488534.db2.gz AFMMNKITULLWET-QWHCGFSZSA-N -1 0 339.382 3.610 20 0 EHADRM CC(C)Oc1c(NC(=O)C[C@@H]2CCC(C)(C)CO2)cccc1C(=O)[O-] ZINC000911732689 1039490645 /nfs/dbraw/zinc/49/06/45/1039490645.db2.gz HIPSCKOCHJLUFY-ZDUSSCGKSA-N -1 0 349.427 3.706 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000238101439 1039491899 /nfs/dbraw/zinc/49/18/99/1039491899.db2.gz HYOKJNNKYAARGS-CABCVRRESA-N -1 0 339.382 3.610 20 0 EHADRM Cc1cccc2c1CC(C)(C)N(C(=O)CC1CCC(C(=O)[O-])CC1)C2 ZINC000911758799 1039507021 /nfs/dbraw/zinc/50/70/21/1039507021.db2.gz UDZFFFBKRCQSRM-UHFFFAOYSA-N -1 0 343.467 3.939 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N[C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000911759191 1039507594 /nfs/dbraw/zinc/50/75/94/1039507594.db2.gz IOXPQPYWEGVNDD-QCEMKRCNSA-N -1 0 335.831 3.593 20 0 EHADRM CC(C)c1noc(=NCc2cc(Br)c(Cl)s2)[n-]1 ZINC000478584837 1039552045 /nfs/dbraw/zinc/55/20/45/1039552045.db2.gz KSLDPBDNVSFGNJ-UHFFFAOYSA-N -1 0 336.642 3.704 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)N2C[C@@H]3CC[C@H]2c2ccccc23)c1 ZINC000898838809 1039591191 /nfs/dbraw/zinc/59/11/91/1039591191.db2.gz IKAZNNJKROBTAB-YJBOKZPZSA-N -1 0 336.391 3.529 20 0 EHADRM CO[C@@H](C)c1nc(=Nc2ccc(C(=O)OC(C)(C)C)c(C)c2)s[n-]1 ZINC000554687367 1039608989 /nfs/dbraw/zinc/60/89/89/1039608989.db2.gz YTIGSUBWHTZWGI-NSHDSACASA-N -1 0 349.456 3.675 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2cccc(OC(F)(F)F)c2)CCCC1 ZINC000324556559 1039649493 /nfs/dbraw/zinc/64/94/93/1039649493.db2.gz NZEGPMZRENAPRM-UHFFFAOYSA-N -1 0 345.317 3.949 20 0 EHADRM Cc1cccc([C@H](C)C(=O)Nc2ccc3c(ccn3CC(=O)[O-])c2)c1 ZINC000485920247 1039703463 /nfs/dbraw/zinc/70/34/63/1039703463.db2.gz CGONADHBRAMIBC-AWEZNQCLSA-N -1 0 336.391 3.777 20 0 EHADRM Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1cc(C)c(C)c(C(=O)[O-])c1)C2 ZINC000485940609 1039706814 /nfs/dbraw/zinc/70/68/14/1039706814.db2.gz MEEKIGGLUKJDHN-GOSISDBHSA-N -1 0 339.391 3.561 20 0 EHADRM CC(C)CCOc1ccccc1CN=c1[n-]nc(-c2ccon2)s1 ZINC000553045841 1039727149 /nfs/dbraw/zinc/72/71/49/1039727149.db2.gz LUWCIBIMKXPQIB-UHFFFAOYSA-N -1 0 344.440 3.652 20 0 EHADRM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)c1 ZINC000485951874 1039732781 /nfs/dbraw/zinc/73/27/81/1039732781.db2.gz CNPHHDVPOJXYSP-ZWKOTPCHSA-N -1 0 339.391 3.752 20 0 EHADRM COc1cccc([C@H]2C[C@H]2C(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)c1 ZINC000485951870 1039733163 /nfs/dbraw/zinc/73/31/63/1039733163.db2.gz CNPHHDVPOJXYSP-QZTJIDSGSA-N -1 0 339.391 3.752 20 0 EHADRM CN(C(=O)N=c1[n-]nc(-c2ccccc2)s1)[C@@H]1CCC(C)(C)C1 ZINC000478914033 1039810349 /nfs/dbraw/zinc/81/03/49/1039810349.db2.gz XNISUVJDFCGFHQ-CYBMUJFWSA-N -1 0 330.457 3.669 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000237533692 1039887568 /nfs/dbraw/zinc/88/75/68/1039887568.db2.gz LPONFDKRNSUGEX-FBOQAHMBSA-N -1 0 348.399 3.570 20 0 EHADRM CCCc1nc(C)c([N-]S(=O)(=O)c2ccc(Cl)cc2F)s1 ZINC000486120007 1039902438 /nfs/dbraw/zinc/90/24/38/1039902438.db2.gz WEQMSNIGLHYYJC-UHFFFAOYSA-N -1 0 348.852 3.997 20 0 EHADRM CCc1nc(C[NH2+]C[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)cs1 ZINC000417548968 1039978812 /nfs/dbraw/zinc/97/88/12/1039978812.db2.gz RSVVRFUKYCKKAX-GFCCVEGCSA-N -1 0 338.860 3.707 20 0 EHADRM CC(C)c1cnc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)s1 ZINC000417561419 1039987016 /nfs/dbraw/zinc/98/70/16/1039987016.db2.gz LENPBZACKKUJIK-AWEZNQCLSA-N -1 0 342.823 3.975 20 0 EHADRM CSCc1cnc(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])s1 ZINC000417561443 1039987401 /nfs/dbraw/zinc/98/74/01/1039987401.db2.gz LFNFOIISSJRERO-IAQYHMDHSA-N -1 0 336.482 3.558 20 0 EHADRM Cc1[nH]c2ccc(CN=c3nc(C(F)(F)F)[n-]s3)cc2c1C ZINC000553317844 1039988316 /nfs/dbraw/zinc/98/83/16/1039988316.db2.gz PINNKMIJQYUBTK-UHFFFAOYSA-N -1 0 326.347 3.689 20 0 EHADRM Cc1cc(C)cc([C@@H](NCc2ncc(C(F)(F)F)s2)C(=O)[O-])c1 ZINC000417557825 1039998338 /nfs/dbraw/zinc/99/83/38/1039998338.db2.gz CVMSKUAGWCTYDT-CYBMUJFWSA-N -1 0 344.358 3.694 20 0 EHADRM C[C@@]([N-]S(=O)(=O)Cc1ccccc1)(c1ccccc1)C(F)(F)F ZINC000479165564 1040009488 /nfs/dbraw/zinc/00/94/88/1040009488.db2.gz OLHFUFJHQGNLEK-OAHLLOKOSA-N -1 0 343.370 3.584 20 0 EHADRM CC(C)Oc1c(NCc2cnc(C(C)(C)C)nc2)cccc1C(=O)[O-] ZINC000417563829 1040011378 /nfs/dbraw/zinc/01/13/78/1040011378.db2.gz DSJDJEJIRGOFQG-UHFFFAOYSA-N -1 0 343.427 3.872 20 0 EHADRM C[C@@H]1C[C@@H](Sc2n[n-]c(=NC3CCCCC3)s2)C[C@H](C)O1 ZINC000554970535 1040015421 /nfs/dbraw/zinc/01/54/21/1040015421.db2.gz FGMGRUGZGYCPMW-PTEHBNRSSA-N -1 0 327.519 3.753 20 0 EHADRM CCCc1csc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(C)c2)n1 ZINC000417578186 1040024599 /nfs/dbraw/zinc/02/45/99/1040024599.db2.gz XYALLMFBRRHDJJ-HNNXBMFYSA-N -1 0 338.860 3.973 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000321646471 1040031665 /nfs/dbraw/zinc/03/16/65/1040031665.db2.gz KGUYONTWIPBEIG-LSDHHAIUSA-N -1 0 349.477 3.839 20 0 EHADRM COc1nc(C)cc(C)c1CSc1nc(C(F)(F)F)cc(=O)[nH]1 ZINC000553399203 1040031925 /nfs/dbraw/zinc/03/19/25/1040031925.db2.gz HPNNQJPBDJEFLY-UHFFFAOYSA-N -1 0 345.346 3.514 20 0 EHADRM COCCOc1ccc(CNc2ccc([C@H](C)CC(=O)[O-])cc2)cc1 ZINC000417611269 1040080997 /nfs/dbraw/zinc/08/09/97/1040080997.db2.gz OSTHRKHIGXPXCH-OAHLLOKOSA-N -1 0 343.423 3.902 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nc3cc(F)c(F)cc3s2)c(C)o1 ZINC000345082189 1040112969 /nfs/dbraw/zinc/11/29/69/1040112969.db2.gz QTWNREBBAQBVSP-UHFFFAOYSA-N -1 0 344.364 3.585 20 0 EHADRM CCCn1c(CN[C@@H](CCC(C)(C)C)C(=O)[O-])nc2ccccc21 ZINC000417640072 1040118761 /nfs/dbraw/zinc/11/87/61/1040118761.db2.gz VVFNCFXQZDACGC-HNNXBMFYSA-N -1 0 331.460 3.815 20 0 EHADRM CC(C)(C)Cc1ccccc1C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000907705013 1040135927 /nfs/dbraw/zinc/13/59/27/1040135927.db2.gz SQFZUSZOPAINIP-UHFFFAOYSA-N -1 0 343.427 3.544 20 0 EHADRM COc1ccc(CNc2ccc(S[C@H](C)C(=O)[O-])cc2)cc1OC ZINC000417664378 1040141064 /nfs/dbraw/zinc/14/10/64/1040141064.db2.gz XUFAIVPGLRQFHT-GFCCVEGCSA-N -1 0 347.436 3.881 20 0 EHADRM CC[C@H](C(=O)[O-])[S@@](=O)Cc1nc2c(s1)C(C)(C)CC(C)(C)C2 ZINC000899226554 1040188078 /nfs/dbraw/zinc/18/80/78/1040188078.db2.gz UJSAEXVMRNRAGN-XFNZEKPQSA-N -1 0 343.514 3.505 20 0 EHADRM Cc1cc(NC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c(C)c(C)c1O ZINC000907830230 1040193244 /nfs/dbraw/zinc/19/32/44/1040193244.db2.gz JQUFEAAZONJEDC-FOIQADDNSA-N -1 0 339.391 3.514 20 0 EHADRM CC(C)(CNC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)C1CCCC1 ZINC000512585468 1040201957 /nfs/dbraw/zinc/20/19/57/1040201957.db2.gz CTYMPPYTDPFNMH-FQEVSTJZSA-N -1 0 331.456 3.752 20 0 EHADRM Cc1ncc(-c2ccccc2)cc1NC(=O)NCCCCCC(=O)[O-] ZINC000417774573 1040229136 /nfs/dbraw/zinc/22/91/36/1040229136.db2.gz ZLSMGYMFPKTGSU-UHFFFAOYSA-N -1 0 341.411 3.824 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@H]23)cc1 ZINC000907936844 1040236514 /nfs/dbraw/zinc/23/65/14/1040236514.db2.gz UVJHTCPMZDRGPB-NUBKLNGGSA-N -1 0 343.467 3.919 20 0 EHADRM COc1cc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)ccc1O ZINC000785420020 1040264265 /nfs/dbraw/zinc/26/42/65/1040264265.db2.gz UNYIKIOJEWFLDD-UHFFFAOYSA-N -1 0 328.151 3.666 20 0 EHADRM CN(C(=O)CC[C@@H]1CCc2ccccc21)c1cccc(CC(=O)[O-])c1 ZINC000908084132 1040280411 /nfs/dbraw/zinc/28/04/11/1040280411.db2.gz FWSCBHSUCQKNIE-KRWDZBQOSA-N -1 0 337.419 3.787 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)N(C)c1cccc(CC(=O)[O-])c1 ZINC000908080551 1040289904 /nfs/dbraw/zinc/28/99/04/1040289904.db2.gz QSRICVFBLYMNIY-AWEZNQCLSA-N -1 0 343.398 3.685 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Nc1nc(C2CCC2)cs1 ZINC000899312934 1040313864 /nfs/dbraw/zinc/31/38/64/1040313864.db2.gz CEMSPVXJGUZPNI-LBPRGKRZSA-N -1 0 337.445 3.662 20 0 EHADRM Cc1nn(C)c(C)c1-c1cc(=O)n([C@H](C)c2ccc(C(C)C)cc2)[n-]1 ZINC000899361331 1040388206 /nfs/dbraw/zinc/38/82/06/1040388206.db2.gz UIPAZHMQUZGUSP-CQSZACIVSA-N -1 0 338.455 3.858 20 0 EHADRM COCc1ccccc1S(=O)(=O)[N-]c1nc2ccc(C)cc2s1 ZINC000486730664 1040390616 /nfs/dbraw/zinc/39/06/16/1040390616.db2.gz CYQMLTMASRBSGS-UHFFFAOYSA-N -1 0 348.449 3.552 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)c2cc3cccc(F)c3o2)CCC1 ZINC000908338096 1040399205 /nfs/dbraw/zinc/39/92/05/1040399205.db2.gz HEGDAMIQMNTVBP-UHFFFAOYSA-N -1 0 333.359 3.727 20 0 EHADRM Cc1ccsc1CCCC(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908337366 1040400404 /nfs/dbraw/zinc/40/04/04/1040400404.db2.gz ZPTUXBKESTYNNY-UHFFFAOYSA-N -1 0 337.485 3.921 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)Cc2ccc3ccccc3c2)CCC1 ZINC000908342460 1040401941 /nfs/dbraw/zinc/40/19/41/1040401941.db2.gz JUVUKCNOKBTNOC-UHFFFAOYSA-N -1 0 339.435 3.924 20 0 EHADRM Cc1ccccc1C(C)(C)C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908340636 1040402254 /nfs/dbraw/zinc/40/22/54/1040402254.db2.gz FNMKJRAZHLTXGY-UHFFFAOYSA-N -1 0 331.456 3.814 20 0 EHADRM COc1cccc2cc(C(=O)NCCCCC3(C(=O)[O-])CCC3)oc21 ZINC000908345124 1040403884 /nfs/dbraw/zinc/40/38/84/1040403884.db2.gz ZGSNCJSLTTUXOH-UHFFFAOYSA-N -1 0 345.395 3.596 20 0 EHADRM CC(C)CC(C)(C)C(=O)Nc1ccc(-n2[n-]c(C3CC3)cc2=O)nc1 ZINC000912865849 1040420742 /nfs/dbraw/zinc/42/07/42/1040420742.db2.gz RQOCFLUSCAGHJN-UHFFFAOYSA-N -1 0 342.443 3.595 20 0 EHADRM CC(C)(C)n1cc(C(=O)[O-])c(-c2ccc(OC(F)F)cc2F)n1 ZINC000575882303 1040472878 /nfs/dbraw/zinc/47/28/78/1040472878.db2.gz PPXVMZNRCJPCGY-UHFFFAOYSA-N -1 0 328.290 3.744 20 0 EHADRM O=C(N=c1[n-]nc(/C=C/c2ccco2)s1)NC1CCCCCC1 ZINC000486856814 1040503103 /nfs/dbraw/zinc/50/31/03/1040503103.db2.gz YJGJFCGYPISXNC-MDZDMXLPSA-N -1 0 332.429 3.568 20 0 EHADRM CC[C@H](NC(=O)N=c1[n-]nc(/C=C\c2ccco2)s1)C(C)(C)C ZINC000486915403 1040541136 /nfs/dbraw/zinc/54/11/36/1040541136.db2.gz GCNPLLLBHLUREG-LAUAKBEESA-N -1 0 334.445 3.670 20 0 EHADRM O=C1CCC[C@H]1CCSc1n[n-]c(=Nc2ccccc2F)s1 ZINC000481244213 1040541887 /nfs/dbraw/zinc/54/18/87/1040541887.db2.gz ZOIMLHLRQSBUKE-JTQLQIEISA-N -1 0 337.445 3.694 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2cccc(COC(C)(C)C)c2)[C@H](C(=O)[O-])C1 ZINC000908635982 1040541816 /nfs/dbraw/zinc/54/18/16/1040541816.db2.gz ONJVYBJNGOPGBC-BBRMVZONSA-N -1 0 348.443 3.719 20 0 EHADRM CC(C)=CC[C@@H](NC(=O)Nc1ccc2cnn(C(C)C)c2c1)C(=O)[O-] ZINC000908621270 1040548837 /nfs/dbraw/zinc/54/88/37/1040548837.db2.gz IQAVSPRWZQQBEP-OAHLLOKOSA-N -1 0 344.415 3.548 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC)C(=O)N=c1[n-]nc(C2CC2)s1 ZINC000555422137 1040558949 /nfs/dbraw/zinc/55/89/49/1040558949.db2.gz KMZGLNACCHTUHB-AWEZNQCLSA-N -1 0 330.457 3.843 20 0 EHADRM Cc1cccc(NC(=O)N=c2[n-]nc(/C=C\c3ccco3)s2)c1C ZINC000486926455 1040561397 /nfs/dbraw/zinc/56/13/97/1040561397.db2.gz PTULRRKZBGXFOD-HJWRWDBZSA-N -1 0 340.408 3.984 20 0 EHADRM COc1cccc(C(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000042233033 1040579417 /nfs/dbraw/zinc/57/94/17/1040579417.db2.gz BWQOJLYVPZQGPG-UHFFFAOYSA-N -1 0 341.388 3.542 20 0 EHADRM O=C(c1ccc2oc(=O)nc-2[n-]1)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000667856622 1040583385 /nfs/dbraw/zinc/58/33/85/1040583385.db2.gz QIDBJUUCKCFGPM-MRXNPFEDSA-N -1 0 349.390 3.611 20 0 EHADRM COc1ccc(CN=c2[n-]nc(Cc3ccccc3)o2)c2ccccc12 ZINC000479772587 1040590871 /nfs/dbraw/zinc/59/08/71/1040590871.db2.gz PHMRLOYUFYYAPR-UHFFFAOYSA-N -1 0 345.402 3.856 20 0 EHADRM CCSc1cccc(CN=c2[n-]nc(Cc3ccccc3)o2)c1 ZINC000479773978 1040591206 /nfs/dbraw/zinc/59/12/06/1040591206.db2.gz KTOWOWZUQIKGKY-UHFFFAOYSA-N -1 0 325.437 3.806 20 0 EHADRM CCc1cccc(F)c1CN=c1[n-]nc(Cc2cccc(F)c2)o1 ZINC000479767502 1040605305 /nfs/dbraw/zinc/60/53/05/1040605305.db2.gz HTRUXYITDGWFRD-UHFFFAOYSA-N -1 0 329.350 3.535 20 0 EHADRM CCSc1n[n-]c(=NCc2c(F)cccc2Br)s1 ZINC000479795982 1040611058 /nfs/dbraw/zinc/61/10/58/1040611058.db2.gz XKQSMEPSJPVCFH-UHFFFAOYSA-N -1 0 348.266 3.586 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)c1oc(C(=O)[O-])cc1C ZINC000908730347 1040612638 /nfs/dbraw/zinc/61/26/38/1040612638.db2.gz UQUJTWLFUDOAPB-UHFFFAOYSA-N -1 0 337.759 3.981 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)c1ccoc1CC(=O)[O-])c1ccc(F)cc1 ZINC000908730289 1040613438 /nfs/dbraw/zinc/61/34/38/1040613438.db2.gz RTTKBWUXIOOFRC-HNNXBMFYSA-N -1 0 347.386 3.953 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000908788943 1040649512 /nfs/dbraw/zinc/64/95/12/1040649512.db2.gz NLQFRPCCIGXKHL-SMDDNHRTSA-N -1 0 346.452 3.715 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C[C@@H]1CCC2(CCC2)O1 ZINC000908901571 1040707940 /nfs/dbraw/zinc/70/79/40/1040707940.db2.gz KAQVOSBYYSFULM-AWEZNQCLSA-N -1 0 347.411 3.602 20 0 EHADRM Cc1c(C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)cnn1CCC(C)C ZINC000909100391 1040803099 /nfs/dbraw/zinc/80/30/99/1040803099.db2.gz OHPBUBHJHOMRSC-TWGQIWQCSA-N -1 0 341.411 3.588 20 0 EHADRM COc1ccc(CC/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000025257787 1040838848 /nfs/dbraw/zinc/83/88/48/1040838848.db2.gz ZVKSXTFPOMOVJS-VCHYOVAHSA-N -1 0 334.759 3.624 20 0 EHADRM CCOCc1ccc(-c2cccc3c2NC(=O)[C@H]3CC(=O)[O-])cc1F ZINC000899634386 1040886271 /nfs/dbraw/zinc/88/62/71/1040886271.db2.gz UVVDWVLNIXYPKX-HNNXBMFYSA-N -1 0 343.354 3.540 20 0 EHADRM Cc1ccc(NC(=O)CCC[C@H](O)c2ccccc2)cc1C(=O)[O-] ZINC000909294696 1040914758 /nfs/dbraw/zinc/91/47/58/1040914758.db2.gz LEVYADRLWYYODB-KRWDZBQOSA-N -1 0 327.380 3.536 20 0 EHADRM Cn1[n-]c(C(=O)N[C@@H](CC(C)(C)C)c2ccc(Cl)cc2)cc1=O ZINC000669122361 1040919337 /nfs/dbraw/zinc/91/93/37/1040919337.db2.gz AOXQDIOWHBDHLA-AWEZNQCLSA-N -1 0 335.835 3.686 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc(NCc2ccsc2)cc1 ZINC000909311680 1040937484 /nfs/dbraw/zinc/93/74/84/1040937484.db2.gz NFWZVUXHOKNRQS-ZDUSSCGKSA-N -1 0 346.452 3.686 20 0 EHADRM CC(C)C1(C)CCN(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])CC1 ZINC000909694054 1040957414 /nfs/dbraw/zinc/95/74/14/1040957414.db2.gz JSTBNEVRSPKKTR-UHFFFAOYSA-N -1 0 342.439 3.693 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cnn(CC3CCCC3)c2)c1 ZINC000909830582 1041015781 /nfs/dbraw/zinc/01/57/81/1041015781.db2.gz LYIAKIXKBHHFIF-CYBMUJFWSA-N -1 0 341.411 3.514 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1sc2cccc(F)c2c1Cl ZINC000909805835 1041017542 /nfs/dbraw/zinc/01/75/42/1041017542.db2.gz KPTQOOPVKOBGBM-SFYZADRCSA-N -1 0 341.791 3.629 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@H]2CCCc3c(O)cccc32)c1 ZINC000909832413 1041028603 /nfs/dbraw/zinc/02/86/03/1041028603.db2.gz SUODUVTZGGCVQK-SJCJKPOMSA-N -1 0 339.391 3.639 20 0 EHADRM CC(C)[C@H]1C[C@@H](CC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)CCO1 ZINC000909837066 1041033336 /nfs/dbraw/zinc/03/33/36/1041033336.db2.gz TUBIQLXKOGEBMU-GRDNDAEWSA-N -1 0 333.428 3.655 20 0 EHADRM Cc1cc(F)ccc1C[C@H](C)NC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000909946219 1041076671 /nfs/dbraw/zinc/07/66/71/1041076671.db2.gz UTNMFDFAIWRCAK-JAGHRAMZSA-N -1 0 347.430 3.607 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)[C@@H](C)c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000652060533 1041084129 /nfs/dbraw/zinc/08/41/29/1041084129.db2.gz YHVOINGUMFLKCT-SUMWQHHRSA-N -1 0 345.826 3.737 20 0 EHADRM COc1cc(NC(=O)C[C@H](C(=O)[O-])c2ccc(C)cc2)c(C)cc1C ZINC000899780431 1041101837 /nfs/dbraw/zinc/10/18/37/1041101837.db2.gz ZYDBJYMWAXITHU-INIZCTEOSA-N -1 0 341.407 3.817 20 0 EHADRM C[C@H]1CC[C@H](C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)CC1 ZINC000652068753 1041104471 /nfs/dbraw/zinc/10/44/71/1041104471.db2.gz NYWAGFLYYKNTBP-ZFZWDLNGSA-N -1 0 349.858 3.793 20 0 EHADRM C[C@@]1(C(=O)[O-])[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1cc(C(F)F)ccc1F ZINC000899788791 1041126906 /nfs/dbraw/zinc/12/69/06/1041126906.db2.gz LNWDAMUTXRSHJU-MEQKFGHFSA-N -1 0 339.313 3.615 20 0 EHADRM C[C@H](C(=O)N[C@@H]1CCC[C@]1(C)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000909996335 1041134177 /nfs/dbraw/zinc/13/41/77/1041134177.db2.gz PXCZCYBAODPRQO-WNMQOVRZSA-N -1 0 343.345 3.569 20 0 EHADRM CC(C)(C)[C@H]1CCCN(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])C1 ZINC000910020646 1041138237 /nfs/dbraw/zinc/13/82/37/1041138237.db2.gz ATCBOJBLINRZLT-ZDUSSCGKSA-N -1 0 342.439 3.693 20 0 EHADRM CCN(C(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000899801908 1041141246 /nfs/dbraw/zinc/14/12/46/1041141246.db2.gz VXHKWMQLLBQFKJ-XJFXBBFESA-N -1 0 345.414 3.648 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)NCc1ccnc(-c2ccccc2)c1 ZINC000899795050 1041145984 /nfs/dbraw/zinc/14/59/84/1041145984.db2.gz RVSWUNFIIHHSNC-QGZVFWFLSA-N -1 0 340.423 3.502 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)N[C@@H](c1ccccc1)C(F)(F)F ZINC000899806639 1041151152 /nfs/dbraw/zinc/15/11/52/1041151152.db2.gz NGSJXBWDKHOFSR-OCCSQVGLSA-N -1 0 331.334 3.543 20 0 EHADRM O=C(Nc1ccc(Br)cc1O)[C@H]1CCCc2cccnc21 ZINC000571011190 1041163820 /nfs/dbraw/zinc/16/38/20/1041163820.db2.gz JYJUHYOFLCHYLL-LBPRGKRZSA-N -1 0 347.212 3.608 20 0 EHADRM O=C(NCc1nc2cc(Cl)ccc2[nH]1)c1ccc([O-])c(Cl)c1 ZINC001625900672 1041164875 /nfs/dbraw/zinc/16/48/75/1041164875.db2.gz TWVAYDCJXOVISZ-UHFFFAOYSA-N -1 0 336.178 3.505 20 0 EHADRM Cc1ccc([C@H](CC(=O)NC2(C)CCC(F)(F)CC2)C(=O)[O-])cc1 ZINC000899828367 1041186538 /nfs/dbraw/zinc/18/65/38/1041186538.db2.gz RPEIEEQWVMMKQJ-AWEZNQCLSA-N -1 0 339.382 3.638 20 0 EHADRM Clc1ccc([C@@H](N=c2[n-]nc(-c3ccon3)s2)C2CC2)cc1 ZINC000571113499 1041187512 /nfs/dbraw/zinc/18/75/12/1041187512.db2.gz OZLVJGVKVNFJSR-ZDUSSCGKSA-N -1 0 332.816 3.832 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C)sc1Cl ZINC000473487745 1041188608 /nfs/dbraw/zinc/18/86/08/1041188608.db2.gz IDCVECHRVPJPNM-UHFFFAOYSA-N -1 0 347.893 3.672 20 0 EHADRM O=C([O-])c1csc([C@@H]2CCCN2C(=O)[C@H]2CCC=CCCC2)n1 ZINC000910103897 1041192248 /nfs/dbraw/zinc/19/22/48/1041192248.db2.gz PFFXOFCQSYLJBE-JSGCOSHPSA-N -1 0 334.441 3.641 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])C(=O)Nc1ccccc1Oc1ccccn1 ZINC000899843690 1041204807 /nfs/dbraw/zinc/20/48/07/1041204807.db2.gz VXXNOZMKKGIMRG-SFHVURJKSA-N -1 0 328.368 3.703 20 0 EHADRM CC(C)C[C@](C)(CC(=O)[O-])C(=O)Nc1ccc(-c2ccon2)cc1 ZINC000899847719 1041218792 /nfs/dbraw/zinc/21/87/92/1041218792.db2.gz UQSFFZSVOGKQAO-GOSISDBHSA-N -1 0 330.384 3.807 20 0 EHADRM O=C([O-])CN(C(=O)Nc1ccc(COC2CCCC2)cc1)C1CCC1 ZINC000555851280 1041226559 /nfs/dbraw/zinc/22/65/59/1041226559.db2.gz SCVBMXRLOMVLSF-UHFFFAOYSA-N -1 0 346.427 3.617 20 0 EHADRM C[C@@H](NC(=O)C(C)(C)SCC(=O)[O-])c1cccc2ccccc21 ZINC000899856292 1041237437 /nfs/dbraw/zinc/23/74/37/1041237437.db2.gz RFGJHJHKFFFNJJ-GFCCVEGCSA-N -1 0 331.437 3.613 20 0 EHADRM CCC(CC)(CNC(=O)N=c1[n-]nc(C2CC2)s1)c1ccccc1 ZINC000571223551 1041239980 /nfs/dbraw/zinc/23/99/80/1041239980.db2.gz DCRGBZISVCCGPE-UHFFFAOYSA-N -1 0 344.484 3.717 20 0 EHADRM CC(=O)c1cc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)ccc1C ZINC000194340779 1041258432 /nfs/dbraw/zinc/25/84/32/1041258432.db2.gz PSOHTTYJAJXKKR-UHFFFAOYSA-N -1 0 326.377 3.880 20 0 EHADRM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)N=c2[n-]nc(C3CC3)s2)C1 ZINC000555884147 1041295924 /nfs/dbraw/zinc/29/59/24/1041295924.db2.gz CLVOVHMUOAUWGF-HZMBPMFUSA-N -1 0 346.431 3.592 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cnn(C)c1-c1ccccc1 ZINC000431994837 1041453752 /nfs/dbraw/zinc/45/37/52/1041453752.db2.gz WTWQLHSBNSXUPT-UHFFFAOYSA-N -1 0 349.390 3.654 20 0 EHADRM C[C@]1(NC(=O)c2cc3cc(F)ccc3s2)CCCC[C@H]1C(=O)[O-] ZINC000432114755 1041611320 /nfs/dbraw/zinc/61/13/20/1041611320.db2.gz VQSGQTRIRYKRRK-SJCJKPOMSA-N -1 0 335.400 3.804 20 0 EHADRM C/C(=C/C(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000909340976 1041630123 /nfs/dbraw/zinc/63/01/23/1041630123.db2.gz DBGCSOZVJIORAW-CMUBDUJZSA-N -1 0 325.355 3.589 20 0 EHADRM Cc1ccccc1CC(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000013175564 1041668406 /nfs/dbraw/zinc/66/84/06/1041668406.db2.gz FQBMUIJKNHFXKM-MRXNPFEDSA-N -1 0 331.799 3.523 20 0 EHADRM CO[C@@H](C)c1nc(=NCC[C@@H](c2ccccc2)C(F)(F)F)s[n-]1 ZINC000432162500 1041674489 /nfs/dbraw/zinc/67/44/89/1041674489.db2.gz NLEDBAJWTTXXEO-JQWIXIFHSA-N -1 0 345.390 3.816 20 0 EHADRM Cc1cc(Nc2cc(N)ccc2OC(F)(F)F)ccc1C(=O)[O-] ZINC001211660735 1041695334 /nfs/dbraw/zinc/69/53/34/1041695334.db2.gz ITBIGFGOHWDOAM-UHFFFAOYSA-N -1 0 326.274 3.918 20 0 EHADRM CCCOc1ccc(NC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1Cl ZINC000647693720 1041700734 /nfs/dbraw/zinc/70/07/34/1041700734.db2.gz BTGWYLIGGIYRST-WDEREUQCSA-N -1 0 340.807 3.504 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)N2CCC(C)(C(=O)[O-])CC2)cc1 ZINC000647697452 1041762701 /nfs/dbraw/zinc/76/27/01/1041762701.db2.gz KOHJLTKKQYJYRP-UHFFFAOYSA-N -1 0 348.443 3.830 20 0 EHADRM CC(F)(F)c1cccc(NC(=O)N2CCC(C)(C(=O)[O-])CC2)c1 ZINC000647700067 1041778130 /nfs/dbraw/zinc/77/81/30/1041778130.db2.gz TVSGMVYKVMAJFO-UHFFFAOYSA-N -1 0 326.343 3.517 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)c1F ZINC000313204831 1041844089 /nfs/dbraw/zinc/84/40/89/1041844089.db2.gz DQZYMDAJSRSJCS-UHFFFAOYSA-N -1 0 334.416 3.535 20 0 EHADRM Cc1sc2nc(C)nc(N3CC[C@@](C(=O)[O-])(C(C)C)C3)c2c1C ZINC000323366029 1042071519 /nfs/dbraw/zinc/07/15/19/1042071519.db2.gz YMODGWYHNCRASN-KRWDZBQOSA-N -1 0 333.457 3.554 20 0 EHADRM O=C([O-])CCC1CCN(c2ncc(Br)cc2Cl)CC1 ZINC000662882339 1042182108 /nfs/dbraw/zinc/18/21/08/1042182108.db2.gz BZBUJYKKKTZGQK-UHFFFAOYSA-N -1 0 347.640 3.579 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1c1cnc2cc(Cl)c(Cl)cc2n1 ZINC000662895021 1042204007 /nfs/dbraw/zinc/20/40/07/1042204007.db2.gz XUFKAIONFYLSJH-DTWKUNHWSA-N -1 0 340.210 3.626 20 0 EHADRM O=C(N[C@@H](c1ccccc1)C1(CO)CCC1)c1ccc(Cl)c([O-])c1 ZINC001143515836 1042216217 /nfs/dbraw/zinc/21/62/17/1042216217.db2.gz AXXNQSLNXVHALU-KRWDZBQOSA-N -1 0 345.826 3.679 20 0 EHADRM Cc1cnc(NC[C@@H](C(=O)[O-])C2CCC2)nc1-c1ccccc1F ZINC000662902980 1042217836 /nfs/dbraw/zinc/21/78/36/1042217836.db2.gz VDKGEQIFJHERHM-CQSZACIVSA-N -1 0 329.375 3.504 20 0 EHADRM CSc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2C)c(C)o1 ZINC000909374040 1042284054 /nfs/dbraw/zinc/28/40/54/1042284054.db2.gz CBIFQBWQOYEFSP-CQSZACIVSA-N -1 0 333.409 3.564 20 0 EHADRM O=C(CCCn1cnc2ccccc21)Nc1cccc(Cl)c1[O-] ZINC000605880084 1042342644 /nfs/dbraw/zinc/34/26/44/1042342644.db2.gz PIERUHMVNNKISW-UHFFFAOYSA-N -1 0 329.787 3.814 20 0 EHADRM Cc1nc(-c2ccccc2)sc1NC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC000663045876 1042392179 /nfs/dbraw/zinc/39/21/79/1042392179.db2.gz LVWWGYMNLDMXIA-GFCCVEGCSA-N -1 0 332.425 3.804 20 0 EHADRM CCCOc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccs1 ZINC000048655619 1042400636 /nfs/dbraw/zinc/40/06/36/1042400636.db2.gz INJJTWOWAAFUET-UHFFFAOYSA-N -1 0 331.846 3.991 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N2C[C@H](C)C(F)(F)[C@@H](C)C2)s1 ZINC000626236399 1042449042 /nfs/dbraw/zinc/44/90/42/1042449042.db2.gz WCLDJSCDTKFKJR-UWVGGRQHSA-N -1 0 346.447 3.619 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000663105941 1042456272 /nfs/dbraw/zinc/45/62/72/1042456272.db2.gz WNNCMKFKGXTFKZ-HNNXBMFYSA-N -1 0 328.368 3.559 20 0 EHADRM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC000663109416 1042460891 /nfs/dbraw/zinc/46/08/91/1042460891.db2.gz ZRZQQFDBXXKDPE-JLTOFOAXSA-N -1 0 344.455 3.813 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2ccc3ccn(C(F)F)c3c2)CC=CCC1 ZINC000663127252 1042477760 /nfs/dbraw/zinc/47/77/60/1042477760.db2.gz IJBGBLNCXDREGN-KRWDZBQOSA-N -1 0 334.322 3.786 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2ccccc2SCC)n1 ZINC000659189350 1042545357 /nfs/dbraw/zinc/54/53/57/1042545357.db2.gz YPAGSBIVHJHLQD-ZDUSSCGKSA-N -1 0 347.440 3.673 20 0 EHADRM CCS[C@H]1CCCC[C@H]1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184480953 1042558817 /nfs/dbraw/zinc/55/88/17/1042558817.db2.gz ZGWWBYONLGSMGO-OLZOCXBDSA-N -1 0 331.840 3.979 20 0 EHADRM O=C(Nc1n[nH]c2c1cccc2Cl)c1cc(F)c([O-])c(Cl)c1 ZINC000184513419 1042571639 /nfs/dbraw/zinc/57/16/39/1042571639.db2.gz UNGJTNXJPNACGP-UHFFFAOYSA-N -1 0 340.141 3.967 20 0 EHADRM COC[C@H](C)Oc1ccc(CNc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000663261239 1042608427 /nfs/dbraw/zinc/60/84/27/1042608427.db2.gz ZVLDYGTYPPFESK-AWEZNQCLSA-N -1 0 329.396 3.719 20 0 EHADRM CCc1nc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2Cl)cs1 ZINC000663262642 1042611256 /nfs/dbraw/zinc/61/12/56/1042611256.db2.gz JSOSQCGMGNLJNA-ZDUSSCGKSA-N -1 0 345.251 3.928 20 0 EHADRM CCCOc1ccc(S(=O)(=O)[N-]c2nocc2C)cc1C(C)C ZINC000663299162 1042644360 /nfs/dbraw/zinc/64/43/60/1042644360.db2.gz FYVVUCBMTLFDKG-UHFFFAOYSA-N -1 0 338.429 3.696 20 0 EHADRM O=C(Nc1ccc(F)cc1OC(F)F)c1cc(F)c([O-])c(F)c1 ZINC000186836608 1042712419 /nfs/dbraw/zinc/71/24/19/1042712419.db2.gz KWWVVGAEQNSKMN-UHFFFAOYSA-N -1 0 333.212 3.663 20 0 EHADRM CC[C@@H](CNC(=O)c1cc(F)c([O-])c(F)c1)Oc1cccc(C)c1 ZINC000186851891 1042716565 /nfs/dbraw/zinc/71/65/65/1042716565.db2.gz PAFFPZNZPUSQEC-ZDUSSCGKSA-N -1 0 335.350 3.566 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)Nc1cc(Cl)cc2cccnc21)C1CCC1 ZINC000663339537 1042722165 /nfs/dbraw/zinc/72/21/65/1042722165.db2.gz YEHGCOPEVZBWBI-ZDUSSCGKSA-N -1 0 347.802 3.511 20 0 EHADRM Cc1cccc(Oc2ccc(NC(=O)NCC3(C(=O)[O-])CC3)cc2)c1 ZINC000663341732 1042724323 /nfs/dbraw/zinc/72/43/23/1042724323.db2.gz TVEQTXLQMFZXTB-UHFFFAOYSA-N -1 0 340.379 3.774 20 0 EHADRM O=C(C=C(C1CC1)C1CC1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000064698295 1042746702 /nfs/dbraw/zinc/74/67/02/1042746702.db2.gz UZBQMWIFOGZVQW-UHFFFAOYSA-N -1 0 343.807 3.871 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653330522 1042806000 /nfs/dbraw/zinc/80/60/00/1042806000.db2.gz GMTUOPJULGEFTN-NIKGAXFTSA-N -1 0 337.419 3.918 20 0 EHADRM Cc1sc(Br)cc1S(=O)(=O)[N-]c1ccccc1C ZINC000094870641 1042839470 /nfs/dbraw/zinc/83/94/70/1042839470.db2.gz CRSUXHAGBMPYSP-UHFFFAOYSA-N -1 0 346.271 3.928 20 0 EHADRM CC[C@@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC000796806854 1042862409 /nfs/dbraw/zinc/86/24/09/1042862409.db2.gz FAEOVDZWCFDODQ-CHWSQXEVSA-N -1 0 343.876 3.670 20 0 EHADRM C[C@@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])C(C)(C)c1ccccc1 ZINC001143528245 1042957404 /nfs/dbraw/zinc/95/74/04/1042957404.db2.gz KFSWMALSWSZRQG-OAHLLOKOSA-N -1 0 349.434 3.674 20 0 EHADRM CC(C)[C@H](C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC000653332436 1042978813 /nfs/dbraw/zinc/97/88/13/1042978813.db2.gz CEMPUWIJVKPWBN-OTWHNJEPSA-N -1 0 337.419 3.856 20 0 EHADRM Cc1cc(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c(C)n1C(C)C ZINC000653332474 1042979027 /nfs/dbraw/zinc/97/90/27/1042979027.db2.gz CSOYATOVOZEKQE-ZWKOTPCHSA-N -1 0 340.423 3.729 20 0 EHADRM O=C([O-])C/C(=C\c1ccc2c(c1)OCCO2)c1nc2ccccc2o1 ZINC000005798225 1043001907 /nfs/dbraw/zinc/00/19/07/1043001907.db2.gz XVTRLIYBTMFWKM-UKTHLTGXSA-N -1 0 337.331 3.614 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)no1 ZINC000006352179 1043007548 /nfs/dbraw/zinc/00/75/48/1043007548.db2.gz HPBWCSQGSKVQKT-UHFFFAOYSA-N -1 0 348.346 3.792 20 0 EHADRM Cc1ccnc(-c2nc(=O)c3c(-c4ccc(F)cc4)csc3[n-]2)n1 ZINC000432499094 1043558117 /nfs/dbraw/zinc/55/81/17/1043558117.db2.gz DULWUSWYHOGBGB-UHFFFAOYSA-N -1 0 338.367 3.968 20 0 EHADRM CC[C@@H](N=c1nc([C@@H](C)OC)[n-]s1)c1ccccc1OC(F)F ZINC000509734630 1043729996 /nfs/dbraw/zinc/72/99/96/1043729996.db2.gz YFZRQGQOPYJJIQ-MWLCHTKSSA-N -1 0 343.399 3.832 20 0 EHADRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000509104547 1043768216 /nfs/dbraw/zinc/76/82/16/1043768216.db2.gz WURRXEYVJIDTNY-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-])c1ccccc1 ZINC000324473172 1044399952 /nfs/dbraw/zinc/39/99/52/1044399952.db2.gz KUITXNZDRXCJTP-BBWFWOEESA-N -1 0 329.440 3.947 20 0 EHADRM O=C(Nc1ccccc1Cl)c1nn(-c2ccccc2F)cc1[O-] ZINC000344809454 1044459222 /nfs/dbraw/zinc/45/92/22/1044459222.db2.gz JHDZIXJNHKSVPQ-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000236578357 1044485608 /nfs/dbraw/zinc/48/56/08/1044485608.db2.gz JQIYORRFYUMYBA-CQSZACIVSA-N -1 0 333.428 3.581 20 0 EHADRM O=S(=O)([N-]c1cccc(Oc2ccncc2)c1)c1ccccc1F ZINC000112193254 1044586909 /nfs/dbraw/zinc/58/69/09/1044586909.db2.gz QPQRHGLUIGDILE-UHFFFAOYSA-N -1 0 344.367 3.814 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(C(F)(F)F)c1 ZINC000261634224 1044862357 /nfs/dbraw/zinc/86/23/57/1044862357.db2.gz DHYXDMJTFSAMDV-HONMWMINSA-N -1 0 341.329 3.563 20 0 EHADRM Cc1c(Cl)cc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1Cl ZINC000620511398 1125587179 /nfs/dbraw/zinc/58/71/79/1125587179.db2.gz UGXCFMQBTALCLG-WDEREUQCSA-N -1 0 328.195 3.907 20 0 EHADRM Cn1[n-]c(C(=O)N2CCC[C@@]2(C)Cc2cccc3ccccc32)cc1=O ZINC000620586222 1125601379 /nfs/dbraw/zinc/60/13/79/1125601379.db2.gz UVPNLOJJBMYYCX-NRFANRHFSA-N -1 0 349.434 3.516 20 0 EHADRM O=C(c1cc(F)ccc1O)N1CCC2(C=Cc3ccccc3O2)CC1 ZINC000620720123 1125672485 /nfs/dbraw/zinc/67/24/85/1125672485.db2.gz XIFJNCSCIRAXQC-UHFFFAOYSA-N -1 0 339.366 3.612 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)cc1 ZINC000154017092 1125685145 /nfs/dbraw/zinc/68/51/45/1125685145.db2.gz JRLLGOHKKNJLFK-UHFFFAOYSA-N -1 0 346.433 3.864 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@H]2C[C@H]2c2cccc(F)c2)CCCCCC1 ZINC000620753038 1125695145 /nfs/dbraw/zinc/69/51/45/1125695145.db2.gz VWMHOSNEJBPJQB-HOTGVXAUSA-N -1 0 333.403 3.613 20 0 EHADRM CCc1ncc(CN[C@](CC)(C(=O)[O-])c2ccc(Cl)cc2)s1 ZINC000901871588 1126130747 /nfs/dbraw/zinc/13/07/47/1126130747.db2.gz DYNISLXKZGYVHI-INIZCTEOSA-N -1 0 338.860 3.839 20 0 EHADRM O=C([O-])[C@@H](Cc1cc2ccccc2o1)NCc1ccc2ccccc2n1 ZINC001608541584 1126236983 /nfs/dbraw/zinc/23/69/83/1126236983.db2.gz VQPHJXVLUDKZBV-LJQANCHMSA-N -1 0 346.386 3.767 20 0 EHADRM CC1N=NC(C(=O)Nc2cc(Cl)ccc2OC2CCCC2)=C1[O-] ZINC000622528141 1126716378 /nfs/dbraw/zinc/71/63/78/1126716378.db2.gz RMPAWDJBKZVYBB-UHFFFAOYSA-N -1 0 335.791 3.651 20 0 EHADRM CC(C)CCc1ccc(NC(=O)C[C@@]2(C(=O)[O-])CCSC2)cc1 ZINC000622602488 1126727806 /nfs/dbraw/zinc/72/78/06/1126727806.db2.gz OFEUTBRPAGYQNK-SFHVURJKSA-N -1 0 335.469 3.812 20 0 EHADRM CC(C)c1csc([N-]S(=O)(=O)c2cccc3cccnc32)n1 ZINC000172379577 1126791931 /nfs/dbraw/zinc/79/19/31/1126791931.db2.gz PJCUVQHHAWFZNM-UHFFFAOYSA-N -1 0 333.438 3.616 20 0 EHADRM COc1cc(NC(=O)[C@@H]2CCCc3sccc32)ccc1C(=O)[O-] ZINC000336871795 1126812943 /nfs/dbraw/zinc/81/29/43/1126812943.db2.gz INNLMQGFQKISAH-GFCCVEGCSA-N -1 0 331.393 3.514 20 0 EHADRM CCOC(=O)c1cc(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)on1 ZINC000346161161 1126971063 /nfs/dbraw/zinc/97/10/63/1126971063.db2.gz XASUBNHVBHLZJZ-UHFFFAOYSA-N -1 0 347.129 3.550 20 0 EHADRM Cc1nn(C(C)(C)C)cc1[C@@H](C)N=c1[n-]c(-c2ccc(F)cc2)no1 ZINC000624106207 1127252545 /nfs/dbraw/zinc/25/25/45/1127252545.db2.gz RSAMAGCAQCAQKH-LLVKDONJSA-N -1 0 343.406 3.731 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N(Cc1cccc(F)c1)C1CC1 ZINC000184970964 1127417211 /nfs/dbraw/zinc/41/72/11/1127417211.db2.gz DKKJCIXMCOQHBZ-UHFFFAOYSA-N -1 0 339.288 3.753 20 0 EHADRM O=C(NCCc1ccc2ccccc2c1)c1cc(F)c(F)c([O-])c1F ZINC000185052390 1127419546 /nfs/dbraw/zinc/41/95/46/1127419546.db2.gz DFYTUDHPVSZFST-UHFFFAOYSA-N -1 0 345.320 3.935 20 0 EHADRM CCOc1ccc(NC(=O)c2cc(F)c(F)c([O-])c2F)c(C)c1 ZINC000185366833 1127425838 /nfs/dbraw/zinc/42/58/38/1127425838.db2.gz WZARXSBQBOOZGF-UHFFFAOYSA-N -1 0 325.286 3.769 20 0 EHADRM CC(C)OCc1cccc(NC(=O)c2cc(F)c(F)c([O-])c2F)c1 ZINC000185443225 1127426293 /nfs/dbraw/zinc/42/62/93/1127426293.db2.gz JHKZMYXNUQIPDZ-UHFFFAOYSA-N -1 0 339.313 3.987 20 0 EHADRM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1scnc1Cl ZINC000764535576 1127504619 /nfs/dbraw/zinc/50/46/19/1127504619.db2.gz ARNIOEVBTMJPCR-ONEGZZNKSA-N -1 0 338.801 3.664 20 0 EHADRM Cc1nc(Cl)ccc1CC(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000764655836 1127517976 /nfs/dbraw/zinc/51/79/76/1127517976.db2.gz NCBZGOLOWOGKHO-UHFFFAOYSA-N -1 0 333.800 3.655 20 0 EHADRM O=C([O-])[C@H](CC(F)(F)F)NC(=O)Nc1ccc(Cl)cc1Cl ZINC000385754541 1127612210 /nfs/dbraw/zinc/61/22/10/1127612210.db2.gz QBMOBBBSCBBZJU-QMMMGPOBSA-N -1 0 345.104 3.521 20 0 EHADRM C[C@@H]1c2c(F)cccc2CCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000542657363 1127657538 /nfs/dbraw/zinc/65/75/38/1127657538.db2.gz ZMVFOJHQLMABBK-MRVPVSSYSA-N -1 0 339.288 3.708 20 0 EHADRM Cc1ccc(S[C@@H](C)C(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000347493691 1127736499 /nfs/dbraw/zinc/73/64/99/1127736499.db2.gz HXVMHAKZTWAUQP-GJZGRUSLSA-N -1 0 335.469 3.722 20 0 EHADRM Cc1ccc([C@H]2CCCN2Cc2nc(=O)c3sccc3[n-]2)cc1 ZINC000030003378 1127813039 /nfs/dbraw/zinc/81/30/39/1127813039.db2.gz NHIARASWKLTZHD-OAHLLOKOSA-N -1 0 325.437 3.630 20 0 EHADRM Cc1nc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3F)cc2o1 ZINC000077704497 1127877287 /nfs/dbraw/zinc/87/72/87/1127877287.db2.gz HDVHZOSVCRCTGR-UHFFFAOYSA-N -1 0 340.763 3.730 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1cccc(OC[C@@H]2CCCO2)c1 ZINC000172356875 1127910813 /nfs/dbraw/zinc/91/08/13/1127910813.db2.gz RCJXNWKSIUTXPH-AWEZNQCLSA-N -1 0 347.798 3.856 20 0 EHADRM CC(C)[C@H](N=c1[n-]nc(C2CCOCC2)s1)c1ccc(F)cc1 ZINC000338642087 1127967143 /nfs/dbraw/zinc/96/71/43/1127967143.db2.gz PLNPGEQIABWYLY-HNNXBMFYSA-N -1 0 335.448 3.802 20 0 EHADRM Brc1cscc1CN=c1[n-]nc(C2CCCCC2)o1 ZINC000351609559 1127964918 /nfs/dbraw/zinc/96/49/18/1127964918.db2.gz VECYMNAAHLHCGB-UHFFFAOYSA-N -1 0 342.262 3.975 20 0 EHADRM CC[C@@H](C)Oc1ccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000056301969 1128015499 /nfs/dbraw/zinc/01/54/99/1128015499.db2.gz QEHRMSWLYZJHBZ-CYBMUJFWSA-N -1 0 336.391 3.958 20 0 EHADRM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000060436762 1128101440 /nfs/dbraw/zinc/10/14/40/1128101440.db2.gz WELPIYKLUCAIBC-UHFFFAOYSA-N -1 0 335.734 3.867 20 0 EHADRM Cc1cccc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000063911003 1128160091 /nfs/dbraw/zinc/16/00/91/1128160091.db2.gz FYZOMCZTEWTLFS-UHFFFAOYSA-N -1 0 333.306 3.954 20 0 EHADRM Cc1ccc(CN(Cc2c([O-])nnn2-c2ccccc2)C(C)C)s1 ZINC000064028101 1128162098 /nfs/dbraw/zinc/16/20/98/1128162098.db2.gz ASROZEDVBCPZCJ-UHFFFAOYSA-N -1 0 342.468 3.753 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cccc(COCC3CC3)c2)CCCCC1 ZINC000065012807 1128182134 /nfs/dbraw/zinc/18/21/34/1128182134.db2.gz AVDAYMYBDBACBE-UHFFFAOYSA-N -1 0 345.439 3.977 20 0 EHADRM CC[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1nc2ccccc2[nH]1 ZINC000067179768 1128236661 /nfs/dbraw/zinc/23/66/61/1128236661.db2.gz BHWKTVONGLDKRX-LBPRGKRZSA-N -1 0 329.787 3.803 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CC[C@H](Oc2ccccc2)C1 ZINC000073726362 1128327674 /nfs/dbraw/zinc/32/76/74/1128327674.db2.gz PQNRWPOZCZIIAI-AWEZNQCLSA-N -1 0 340.404 3.784 20 0 EHADRM CCCOc1ccc(CNC(=O)c2ccc3[n-]c(=S)oc3c2)cn1 ZINC000073473155 1128360704 /nfs/dbraw/zinc/36/07/04/1128360704.db2.gz NMBCCCAMMOKYRR-UHFFFAOYSA-N -1 0 343.408 3.604 20 0 EHADRM C=C(C)C[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000186298615 1128381165 /nfs/dbraw/zinc/38/11/65/1128381165.db2.gz IJUVDKAWNVJFQQ-HNNXBMFYSA-N -1 0 343.448 3.761 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)c2oc(C(F)F)cc2C)s1 ZINC000624516066 1128383108 /nfs/dbraw/zinc/38/31/08/1128383108.db2.gz XWSORPZSIGUSGS-UHFFFAOYSA-N -1 0 329.372 3.955 20 0 EHADRM C[C@H](CNC(=O)N[C@@H](C)c1ccc(Cl)c2ccccc21)C(=O)[O-] ZINC000655874408 1128515607 /nfs/dbraw/zinc/51/56/07/1128515607.db2.gz OUPPKWCKEMEVRK-MNOVXSKESA-N -1 0 334.803 3.574 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)NC[C@H](C(=O)[O-])C(C)C)cc1C ZINC000655892048 1128523875 /nfs/dbraw/zinc/52/38/75/1128523875.db2.gz NFFBTOPNHDENFD-DLBZAZTESA-N -1 0 332.444 3.507 20 0 EHADRM CC(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000055590401 1128524237 /nfs/dbraw/zinc/52/42/37/1128524237.db2.gz SLMIEJCQCGYTQI-UHFFFAOYSA-N -1 0 327.352 3.553 20 0 EHADRM C[C@@H](NC(=O)N=c1ncn(C2CCCCC2)[n-]1)[C@H](C)c1ccccc1 ZINC000542724523 1128562369 /nfs/dbraw/zinc/56/23/69/1128562369.db2.gz UQJMGTFMGXBIHC-LSDHHAIUSA-N -1 0 341.459 3.519 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)C1(C)C ZINC000057752477 1128663896 /nfs/dbraw/zinc/66/38/96/1128663896.db2.gz YPIPVZCVEOFJJY-ZIAGYGMSSA-N -1 0 327.384 3.619 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cccc(C)c2F)[nH]nc1-c1ccccc1 ZINC000542864931 1128712013 /nfs/dbraw/zinc/71/20/13/1128712013.db2.gz OFZPOPCKFYLVCU-UHFFFAOYSA-N -1 0 345.399 3.633 20 0 EHADRM COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000007057622 1128846456 /nfs/dbraw/zinc/84/64/56/1128846456.db2.gz JUVKTZUZDHDTHK-UHFFFAOYSA-N -1 0 337.416 3.933 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnc3c(c2)CCCC3)c(Cl)c1 ZINC000542933730 1128867888 /nfs/dbraw/zinc/86/78/88/1128867888.db2.gz WXEVSMWAMWNVQK-UHFFFAOYSA-N -1 0 336.844 3.723 20 0 EHADRM O=S(=O)([N-]c1cc(F)ccc1Cl)c1c(F)cc(F)cc1F ZINC000076195247 1128909952 /nfs/dbraw/zinc/90/99/52/1128909952.db2.gz NSDKRUPCARJVNM-UHFFFAOYSA-N -1 0 339.697 3.697 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccccc1OC(F)F ZINC000186913848 1120479257 /nfs/dbraw/zinc/47/92/57/1120479257.db2.gz KYJXFJBJEHEAEV-UHFFFAOYSA-N -1 0 331.315 3.536 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc3oc(C(F)(F)F)nc32)o1 ZINC000494496531 1120572441 /nfs/dbraw/zinc/57/24/41/1120572441.db2.gz PUWKSRDIAADNPX-UHFFFAOYSA-N -1 0 346.286 3.549 20 0 EHADRM COCc1cccc([N-]S(=O)(=O)c2cc(C)c(Cl)s2)c1 ZINC000190224544 1120630022 /nfs/dbraw/zinc/63/00/22/1120630022.db2.gz PFZGCVLTMSSKEG-UHFFFAOYSA-N -1 0 331.846 3.657 20 0 EHADRM CC(C)Oc1ccc(/C=C/C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000192913257 1120752765 /nfs/dbraw/zinc/75/27/65/1120752765.db2.gz XVOFIOVFJTZJGZ-ZBZNSMLMSA-N -1 0 345.439 3.590 20 0 EHADRM C/C(=C\c1ccccc1)CN(C)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000494765002 1120782277 /nfs/dbraw/zinc/78/22/77/1120782277.db2.gz LBEOIVUGJROINN-ACCUITESSA-N -1 0 344.484 3.825 20 0 EHADRM Cc1cccc2sc(NC(=O)c3cc(F)c(F)c([O-])c3F)nc21 ZINC000193918521 1120808355 /nfs/dbraw/zinc/80/83/55/1120808355.db2.gz GTRZQQRSWPJOJY-UHFFFAOYSA-N -1 0 338.310 3.980 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccc(-c2nc([C@@H]3CCCO3)no2)c(O)c1 ZINC000495317348 1121068847 /nfs/dbraw/zinc/06/88/47/1121068847.db2.gz MXRVWTDFJBOBJQ-ZDUSSCGKSA-N -1 0 347.371 3.641 20 0 EHADRM CCC1(CNC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)CCCCC1 ZINC000762817655 1121448291 /nfs/dbraw/zinc/44/82/91/1121448291.db2.gz IPKGITJWORHLJB-UHFFFAOYSA-N -1 0 345.468 3.714 20 0 EHADRM CC(C)[C@@H](C)CC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000236660367 1121459857 /nfs/dbraw/zinc/45/98/57/1121459857.db2.gz DKAOEACUTITILI-ZDUSSCGKSA-N -1 0 329.396 3.924 20 0 EHADRM CCC(CC)(CNC(=O)c1sc2cccc(F)c2c1C)C(=O)[O-] ZINC000236902791 1121468300 /nfs/dbraw/zinc/46/83/00/1121468300.db2.gz CRCFEQXOQATOMM-UHFFFAOYSA-N -1 0 337.416 3.970 20 0 EHADRM COc1cccc([C@H]2C[C@H]2C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000237331703 1121480451 /nfs/dbraw/zinc/48/04/51/1121480451.db2.gz QSQSNOKGCSGIFL-HUUCEWRRSA-N -1 0 345.782 3.789 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])s1)c1ccc(C(F)(F)F)cc1 ZINC000237523981 1121486363 /nfs/dbraw/zinc/48/63/63/1121486363.db2.gz XCUZIRJWHMLMIL-MRVPVSSYSA-N -1 0 343.326 3.956 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)cc1C(=O)[O-] ZINC000237705631 1121492279 /nfs/dbraw/zinc/49/22/79/1121492279.db2.gz YBIGPKCHAKGDKR-GJZGRUSLSA-N -1 0 331.318 3.714 20 0 EHADRM O=C([O-])C1(CC(=O)NCc2ccc(F)c(Cl)c2)CCCCC1 ZINC000315195014 1121505038 /nfs/dbraw/zinc/50/50/38/1121505038.db2.gz LBHQYSQLDZTNCY-UHFFFAOYSA-N -1 0 327.783 3.521 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)c2cccc(Cl)c2Cl)c1 ZINC000315765075 1121515160 /nfs/dbraw/zinc/51/51/60/1121515160.db2.gz ZIYADMLJGSKFHP-UHFFFAOYSA-N -1 0 338.190 3.664 20 0 EHADRM O=C(CCOc1cccc(F)c1)Nc1cc(Cl)c([O-])cc1F ZINC000672485942 1128990810 /nfs/dbraw/zinc/99/08/10/1128990810.db2.gz KJOFXIRNZORLDS-UHFFFAOYSA-N -1 0 327.714 3.731 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc2ccccc2s1 ZINC000262489871 1121552482 /nfs/dbraw/zinc/55/24/82/1121552482.db2.gz KWLIXVFEGIXCNA-XBFCOCLRSA-N -1 0 329.421 3.759 20 0 EHADRM CCc1ccc(C(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000915814908 1121642195 /nfs/dbraw/zinc/64/21/95/1121642195.db2.gz ALXUJNZEFRKTKF-UHFFFAOYSA-N -1 0 339.416 3.521 20 0 EHADRM CC(C)(C)c1ccc(/C=C/C(=O)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000915818846 1121652457 /nfs/dbraw/zinc/65/24/57/1121652457.db2.gz DNFVDUOBGANXFT-DHZHZOJOSA-N -1 0 349.477 3.564 20 0 EHADRM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2OCC(C)C)cc1 ZINC000055652033 1121851269 /nfs/dbraw/zinc/85/12/69/1121851269.db2.gz VYVGYKKUGNNXKJ-UHFFFAOYSA-N -1 0 347.436 3.725 20 0 EHADRM Cc1oc(-c2ccccc2)nc1CSCc1nc(C)cc(=O)[nH]1 ZINC000763215434 1121895278 /nfs/dbraw/zinc/89/52/78/1121895278.db2.gz JEPXRNKEENJVFP-UHFFFAOYSA-N -1 0 327.409 3.887 20 0 EHADRM CC(C)COc1ccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1 ZINC000326662505 1121972759 /nfs/dbraw/zinc/97/27/59/1121972759.db2.gz FUZVILFOPYPJTN-JQHSSLGASA-N -1 0 345.439 3.579 20 0 EHADRM CCCCOc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000013389646 1129030397 /nfs/dbraw/zinc/03/03/97/1129030397.db2.gz YKXRKFHDERLTNO-OAHLLOKOSA-N -1 0 347.436 3.873 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)c2cc3ccccc3o2)cc1 ZINC000916186457 1122091819 /nfs/dbraw/zinc/09/18/19/1122091819.db2.gz NIUIZVOIIKHRBK-UHFFFAOYSA-N -1 0 343.404 3.504 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2Cl)cc1C ZINC000125147923 1122306717 /nfs/dbraw/zinc/30/67/17/1122306717.db2.gz OPBGZTXAMMRXFN-UHFFFAOYSA-N -1 0 337.828 3.960 20 0 EHADRM O=S(=O)([N-]c1cccc(COCC2CC2)c1)c1ccccc1F ZINC000064938383 1122343591 /nfs/dbraw/zinc/34/35/91/1122343591.db2.gz XSVJBVGDNJUBGD-UHFFFAOYSA-N -1 0 335.400 3.553 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(SC(C)C)cc2)cc1 ZINC000916752434 1122345576 /nfs/dbraw/zinc/34/55/76/1122345576.db2.gz CGQADGNLPHRTQG-UHFFFAOYSA-N -1 0 349.477 3.614 20 0 EHADRM CN(CCCc1nc2ccccc2[nH]1)C(=O)c1ccc([O-])c(Cl)c1 ZINC000066053781 1122453624 /nfs/dbraw/zinc/45/36/24/1122453624.db2.gz PNFUZDZHCDWFMA-UHFFFAOYSA-N -1 0 343.814 3.627 20 0 EHADRM C[C@@H](CC1CC1)NC(=O)N=c1[n-]nc(SCc2ccccc2)s1 ZINC000497484412 1122562962 /nfs/dbraw/zinc/56/29/62/1122562962.db2.gz PTFNKWCJKMJZFD-NSHDSACASA-N -1 0 348.497 3.562 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N(C)[C@H](c2ccccc2)C(C)C)s1 ZINC000497492166 1122570353 /nfs/dbraw/zinc/57/03/53/1122570353.db2.gz GEASEPCJLOLTQV-HNNXBMFYSA-N -1 0 332.473 3.774 20 0 EHADRM O=C([O-])c1cnc(C=Cc2ccc(-c3ccccc3Cl)o2)[nH]c1=O ZINC000670370105 1122580815 /nfs/dbraw/zinc/58/08/15/1122580815.db2.gz XVOKIDHNMRIYNI-SOFGYWHQSA-N -1 0 342.738 3.964 20 0 EHADRM O=C([O-])Cn1c(/C=C\c2ccccc2C2CC2)nc2ccccc2c1=O ZINC000672773753 1129069622 /nfs/dbraw/zinc/06/96/22/1129069622.db2.gz JUOITJKUMVXOBL-QXMHVHEDSA-N -1 0 346.386 3.529 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N[C@H](C)CC2CC2)s1)c1ccccc1 ZINC000497621363 1122607857 /nfs/dbraw/zinc/60/78/57/1122607857.db2.gz KPWSDFDQUKAUKG-IUODEOHRSA-N -1 0 344.484 3.812 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)c3cc(F)cc(Cl)c3[O-])cc2)n[nH]1 ZINC000128584711 1122631726 /nfs/dbraw/zinc/63/17/26/1122631726.db2.gz BPKLUJCQXVPMSR-UHFFFAOYSA-N -1 0 346.749 3.531 20 0 EHADRM O=C([O-])c1cc(/C=C\c2csnn2)nc(-c2ccc(Cl)cc2)n1 ZINC000672776651 1129070114 /nfs/dbraw/zinc/07/01/14/1129070114.db2.gz GSVVIJTYRRWLOZ-WAYWQWQTSA-N -1 0 344.783 3.517 20 0 EHADRM CCCN(Cc1ccccc1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000383843414 1122712830 /nfs/dbraw/zinc/71/28/30/1122712830.db2.gz UVVCHDFUSKTLJC-UHFFFAOYSA-N -1 0 326.396 3.507 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)NCC2(c3ccccc3)CCCC2)CC1 ZINC000262680303 1122712900 /nfs/dbraw/zinc/71/29/00/1122712900.db2.gz AKYBCEWDRMIQQD-WKILWMFISA-N -1 0 329.440 3.506 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)CC2CCC(C)(C)CC2)c1OC ZINC000262813012 1122972295 /nfs/dbraw/zinc/97/22/95/1122972295.db2.gz UNVDYNKMSUMGLN-UHFFFAOYSA-N -1 0 349.427 3.947 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)Nc2ccc3oc(C4CC4)nc3c2)CC1 ZINC000262876972 1123066453 /nfs/dbraw/zinc/06/64/53/1123066453.db2.gz DWDMPEWBGDFCBE-UMSPYCQHSA-N -1 0 328.368 3.535 20 0 EHADRM C[C@@H]1CN(C(=O)CC2CCC(c3ccccc3)CC2)CC[C@@H]1C(=O)[O-] ZINC000262887391 1123071647 /nfs/dbraw/zinc/07/16/47/1123071647.db2.gz HFXTYAXOAPRTGP-JVDULTGUSA-N -1 0 343.467 3.920 20 0 EHADRM C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000155038922 1123096468 /nfs/dbraw/zinc/09/64/68/1123096468.db2.gz MCQKDGJPWPBJOY-NSHDSACASA-N -1 0 342.420 3.525 20 0 EHADRM Cc1ccc([C@@H](C)N(C)C(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)cc1 ZINC000072882102 1123172761 /nfs/dbraw/zinc/17/27/61/1123172761.db2.gz PGVHPXPDSUXUPN-MRXNPFEDSA-N -1 0 349.434 3.616 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)cc1Cl ZINC000132463565 1123232413 /nfs/dbraw/zinc/23/24/13/1123232413.db2.gz NQEOLRYGQHSDJJ-UHFFFAOYSA-N -1 0 348.207 3.508 20 0 EHADRM C/C(=C\C(=O)[N-]S(=O)(=O)C1CCCCC1)c1cccc(Cl)c1 ZINC000750694948 1123243878 /nfs/dbraw/zinc/24/38/78/1123243878.db2.gz VGKUFHBICNOKAE-ZRDIBKRKSA-N -1 0 341.860 3.522 20 0 EHADRM O=S(=O)([N-]c1cccc(-c2ncco2)c1)c1ccccc1Cl ZINC000132749711 1123296291 /nfs/dbraw/zinc/29/62/91/1123296291.db2.gz YWCRDYPTSAEGOE-UHFFFAOYSA-N -1 0 334.784 3.796 20 0 EHADRM CCC(=O)Nc1ccc(Cl)c(NC(=O)c2c([O-])cccc2F)c1 ZINC000132858402 1123309201 /nfs/dbraw/zinc/30/92/01/1123309201.db2.gz KRQLCKVEOSDGAV-UHFFFAOYSA-N -1 0 336.750 3.786 20 0 EHADRM CC[C@H](CC(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1ccccc1 ZINC000557084292 1123318858 /nfs/dbraw/zinc/31/88/58/1123318858.db2.gz AIJDKSGVTVZDJJ-CYBMUJFWSA-N -1 0 336.395 3.700 20 0 EHADRM CSc1ccc(CCCC(=O)N2CCCC[C@@H]2CC(=O)[O-])cc1 ZINC000649247682 1123378885 /nfs/dbraw/zinc/37/88/85/1123378885.db2.gz FGPQWWNZEQVNEO-OAHLLOKOSA-N -1 0 335.469 3.587 20 0 EHADRM C[C@H]1CCCC[C@H]1CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000920797181 1123424489 /nfs/dbraw/zinc/42/44/89/1123424489.db2.gz SFNPSHTXVBXXOI-QWRGUYRKSA-N -1 0 347.839 3.500 20 0 EHADRM CCC(CC)(CNC(=O)C1CCC(c2ccccc2)CC1)C(=O)[O-] ZINC000236828846 1123473712 /nfs/dbraw/zinc/47/37/12/1123473712.db2.gz LELAPTJXAUPNMT-UHFFFAOYSA-N -1 0 331.456 3.968 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)NCC(CC)(CC)C(=O)[O-] ZINC000236883815 1123480773 /nfs/dbraw/zinc/48/07/73/1123480773.db2.gz WGSXLIHSCWOWHP-CQSZACIVSA-N -1 0 335.444 3.586 20 0 EHADRM C[C@@H](C(=O)NCCc1ccc(C(=O)[O-])cc1)c1cc2ccccc2o1 ZINC000237471083 1123520598 /nfs/dbraw/zinc/52/05/98/1123520598.db2.gz WNUBIBFRWQOBRF-CYBMUJFWSA-N -1 0 337.375 3.593 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)C2(c3cccc(Cl)c3)CCCCC2)C1 ZINC000237639495 1123529546 /nfs/dbraw/zinc/52/95/46/1123529546.db2.gz GIZSKYQJQAQFDI-SFHVURJKSA-N -1 0 349.858 3.865 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)o1 ZINC000238035341 1123556744 /nfs/dbraw/zinc/55/67/44/1123556744.db2.gz KCFBJXSSLLMNGW-MRXNPFEDSA-N -1 0 331.343 3.778 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)Cc3ccccc3F)ccc2s1 ZINC000238208439 1123570927 /nfs/dbraw/zinc/57/09/27/1123570927.db2.gz BPKRGJJUILXQMG-UHFFFAOYSA-N -1 0 329.352 3.920 20 0 EHADRM CCCC[C@@H]1CCC[C@@H]1NC(=O)CSc1n[n-]c(=S)s1 ZINC000175116140 1123597755 /nfs/dbraw/zinc/59/77/55/1123597755.db2.gz XKGCXZQRFKADIX-ZJUUUORDSA-N -1 0 331.532 3.768 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc3ncccc3c2)c(Cl)c1 ZINC000135934827 1123654209 /nfs/dbraw/zinc/65/42/09/1123654209.db2.gz QXZHIHQLIUGQPP-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccc(Cl)cc1 ZINC000064690846 1123716803 /nfs/dbraw/zinc/71/68/03/1123716803.db2.gz ZTKSTJUSTQIUNP-UHFFFAOYSA-N -1 0 348.182 3.826 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)Nc1ccc(F)cc1F)C1CCCCC1 ZINC000237578222 1123780326 /nfs/dbraw/zinc/78/03/26/1123780326.db2.gz YXNBLGXNKKCXNA-KRWDZBQOSA-N -1 0 325.355 3.965 20 0 EHADRM Cc1cc(CCCC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c(C)s1 ZINC000237604248 1123787882 /nfs/dbraw/zinc/78/78/82/1123787882.db2.gz QXMHSLJBIGUIKT-MRXNPFEDSA-N -1 0 337.485 3.934 20 0 EHADRM CCCCN(C(=O)c1ccc2oc(=O)nc-2[n-]1)[C@H]1CCC[C@H](C)C1 ZINC000615375048 1123788143 /nfs/dbraw/zinc/78/81/43/1123788143.db2.gz SHABMSWZOBTMOO-STQMWFEESA-N -1 0 331.416 3.749 20 0 EHADRM O=C([O-])CCCCC(=O)N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000263318473 1123797143 /nfs/dbraw/zinc/79/71/43/1123797143.db2.gz QVFKECQXDFRHQC-IBGZPJMESA-N -1 0 337.419 3.958 20 0 EHADRM Cc1cc2[nH]c(C(=O)N3[C@H](C(=O)[O-])C[C@H]4CCCC[C@@H]43)cc2c(C)c1 ZINC000237772844 1123846995 /nfs/dbraw/zinc/84/69/95/1123846995.db2.gz MNOZUTVCAHRSRN-BVGQSLNGSA-N -1 0 340.423 3.643 20 0 EHADRM CCN(C(=O)c1nn(-c2cccc(F)c2)cc1[O-])c1ccccc1C ZINC000670773386 1123857728 /nfs/dbraw/zinc/85/77/28/1123857728.db2.gz GURVLZCVATYEIX-UHFFFAOYSA-N -1 0 339.370 3.692 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)n1 ZINC000179966732 1123914040 /nfs/dbraw/zinc/91/40/40/1123914040.db2.gz VOGJYXQRRQJJPJ-CMDGGOBGSA-N -1 0 326.418 3.647 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000238040879 1123955764 /nfs/dbraw/zinc/95/57/64/1123955764.db2.gz CTNFBKVPAXHHPP-ZDUSSCGKSA-N -1 0 333.384 3.634 20 0 EHADRM Cc1c(Cl)cc2c(c1Cl)CCCN2C(=O)C1=C([O-])C(C)N=N1 ZINC000616331582 1123984594 /nfs/dbraw/zinc/98/45/94/1123984594.db2.gz JODGYKLLFIZWJB-UHFFFAOYSA-N -1 0 340.210 3.632 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1cc(Oc2ccccc2)ccn1 ZINC000238130136 1123989026 /nfs/dbraw/zinc/98/90/26/1123989026.db2.gz WQSCIXYZBNHTJY-UHFFFAOYSA-N -1 0 342.395 3.639 20 0 EHADRM O=C(CCc1cccc(Cl)c1)N=c1cc(-c2cccs2)[nH][nH]1 ZINC000617365973 1124499931 /nfs/dbraw/zinc/49/99/31/1124499931.db2.gz PDOLATIDPRZAPB-UHFFFAOYSA-N -1 0 331.828 3.785 20 0 EHADRM CC(C)Oc1ccc(F)c(Nc2ccc(S(=O)(=O)[O-])cc2)c1 ZINC001212312816 1124616945 /nfs/dbraw/zinc/61/69/45/1124616945.db2.gz SBIJJTKWKKEKJR-UHFFFAOYSA-N -1 0 325.361 3.603 20 0 EHADRM CC(C)Oc1cccc(Nc2cccc(S(=O)(=O)[O-])c2)c1F ZINC001212321393 1124647682 /nfs/dbraw/zinc/64/76/82/1124647682.db2.gz FFRBRDOXNWFFQQ-UHFFFAOYSA-N -1 0 325.361 3.603 20 0 EHADRM CC(C)[C@H](NC(=O)[C@H]1CC[C@@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000263583109 1124734317 /nfs/dbraw/zinc/73/43/17/1124734317.db2.gz ZLWKUVBRGSZIQX-IHRRRGAJSA-N -1 0 343.345 3.630 20 0 EHADRM CC[C@H](CN(CC)C(=O)c1ccc(C(=O)[O-])c(C)n1)c1ccccc1 ZINC000263582116 1124735987 /nfs/dbraw/zinc/73/59/87/1124735987.db2.gz YDDIYOUXYKVTTD-OAHLLOKOSA-N -1 0 340.423 3.744 20 0 EHADRM CCCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000735202844 1131316486 /nfs/dbraw/zinc/31/64/86/1131316486.db2.gz GEJYPQQHEIUIJM-OAHLLOKOSA-N -1 0 325.474 3.797 20 0 EHADRM O=C([N-]S(=O)(=O)Cc1ccccc1)c1occc1-c1ccccc1 ZINC000069613351 1124944368 /nfs/dbraw/zinc/94/43/68/1124944368.db2.gz FFFLRTNFUYIXHQ-UHFFFAOYSA-N -1 0 341.388 3.781 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000070031237 1125164219 /nfs/dbraw/zinc/16/42/19/1125164219.db2.gz LWLVYRGOZIHFOK-CYBMUJFWSA-N -1 0 347.436 3.707 20 0 EHADRM O=C(c1cc(Br)c(F)cc1[O-])N1CCC[C@H](CCF)C1 ZINC000618700671 1125169755 /nfs/dbraw/zinc/16/97/55/1125169755.db2.gz XHQCLPODCOEVBK-SECBINFHSA-N -1 0 348.187 3.506 20 0 EHADRM C[C@H](CN(C)C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000070915553 1125421963 /nfs/dbraw/zinc/42/19/63/1125421963.db2.gz MFUQQBWVAGQSFP-CYBMUJFWSA-N -1 0 339.391 3.588 20 0 EHADRM COc1cccc(N=c2[n-]nc(S[C@@H](C)c3ccncc3)s2)c1 ZINC000619948775 1125433084 /nfs/dbraw/zinc/43/30/84/1125433084.db2.gz GGTUBQLRMOERLH-NSHDSACASA-N -1 0 344.465 3.961 20 0 EHADRM CC[C@@H]1CCN(C(=O)c2cc(Cl)cc(Br)c2[O-])C1 ZINC000153165740 1125445823 /nfs/dbraw/zinc/44/58/23/1125445823.db2.gz UDTMLSGJERDZFJ-MRVPVSSYSA-N -1 0 332.625 3.680 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccsc2)s1)N[C@H]1C[C@H]1C1CCCCC1 ZINC000466092822 1129184592 /nfs/dbraw/zinc/18/45/92/1129184592.db2.gz BDZSZBKJMVXLEW-STQMWFEESA-N -1 0 348.497 3.779 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nc3ccsc3s2)cnc1Cl ZINC000735607178 1131362952 /nfs/dbraw/zinc/36/29/52/1131362952.db2.gz JMMVDNCBEONUIE-UHFFFAOYSA-N -1 0 345.858 3.515 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(C)n([C@@H](C)C3CC3)n2)c(C)s1 ZINC000543162395 1129303590 /nfs/dbraw/zinc/30/35/90/1129303590.db2.gz KYLGFCIVVMWBOT-NSHDSACASA-N -1 0 339.486 3.642 20 0 EHADRM Cc1oncc1CSc1n[n-]c(=Nc2cccc(C)c2C)s1 ZINC000543266127 1129377590 /nfs/dbraw/zinc/37/75/90/1129377590.db2.gz QJHZZKPYHDNGHS-UHFFFAOYSA-N -1 0 332.454 3.909 20 0 EHADRM CC[C@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(OC)cc1)c1ccccc1 ZINC000013187525 1129509597 /nfs/dbraw/zinc/50/95/97/1129509597.db2.gz OCGGGILZDWSEHZ-ZWKOTPCHSA-N -1 0 341.407 3.521 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)cc1 ZINC000347742281 1129676348 /nfs/dbraw/zinc/67/63/48/1129676348.db2.gz SRHNEQRHCBVLFD-HUUCEWRRSA-N -1 0 329.783 3.709 20 0 EHADRM Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN=c1[n-]c(C(C)C)no1 ZINC000347754697 1129688363 /nfs/dbraw/zinc/68/83/63/1129688363.db2.gz KAGHMKCXXVPRGD-UHFFFAOYSA-N -1 0 345.834 3.683 20 0 EHADRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cccc2[nH]ccc21 ZINC000509076718 1129724387 /nfs/dbraw/zinc/72/43/87/1129724387.db2.gz XYHNORRZNVRISX-UHFFFAOYSA-N -1 0 330.409 3.594 20 0 EHADRM CCNC(=O)c1ccc(NC(=O)c2ccc3ccccc3c2O)c(C)c1 ZINC000097013833 1129754219 /nfs/dbraw/zinc/75/42/19/1129754219.db2.gz UAJXWMQUDOWDNR-UHFFFAOYSA-N -1 0 348.402 3.856 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)c1oc2ccc(F)cc2c1C ZINC000073837796 1129756097 /nfs/dbraw/zinc/75/60/97/1129756097.db2.gz CFUHTDGOHCYMAU-UHFFFAOYSA-N -1 0 327.377 3.703 20 0 EHADRM Cc1noc(=NCc2cccc(OCc3ccccc3Cl)c2)[n-]1 ZINC000347809346 1129847267 /nfs/dbraw/zinc/84/72/67/1129847267.db2.gz HINZLPDSEAQUCM-UHFFFAOYSA-N -1 0 329.787 3.644 20 0 EHADRM COc1ccc2cc(Nc3ccc(C(=O)[O-])c(F)c3F)cnc2c1 ZINC001212511753 1129909508 /nfs/dbraw/zinc/90/95/08/1129909508.db2.gz DEYFJKCJPYWTBU-UHFFFAOYSA-N -1 0 330.290 3.963 20 0 EHADRM CCc1cccc(CC)c1S(=O)(=O)[N-]c1cnn(C(C)(C)C)c1 ZINC000736063822 1131406991 /nfs/dbraw/zinc/40/69/91/1131406991.db2.gz WWHDVJISSYYRBZ-UHFFFAOYSA-N -1 0 335.473 3.564 20 0 EHADRM O=C([O-])c1ccc(Nc2ccnc(OC(F)(F)F)c2)c(F)c1F ZINC001212512644 1129921953 /nfs/dbraw/zinc/92/19/53/1129921953.db2.gz XBCPQTGPCPJDIT-UHFFFAOYSA-N -1 0 334.200 3.700 20 0 EHADRM COC(Cc1ccccc1Nc1ccc(C(=O)[O-])c(F)c1F)OC ZINC001212513145 1129924055 /nfs/dbraw/zinc/92/40/55/1129924055.db2.gz BGUNZLNHCVAFFG-UHFFFAOYSA-N -1 0 337.322 3.568 20 0 EHADRM CC(C)NC(=O)c1ccc(Nc2ccc(C(=O)[O-])c(F)c2F)cc1 ZINC001212513570 1129925241 /nfs/dbraw/zinc/92/52/41/1129925241.db2.gz XZCARJAWJXNXHC-UHFFFAOYSA-N -1 0 334.322 3.545 20 0 EHADRM CC1(C)NC(=O)Nc2ccc(Nc3ccc(C(=O)[O-])c(F)c3F)cc21 ZINC001212515804 1129928079 /nfs/dbraw/zinc/92/80/79/1129928079.db2.gz PCMDNQRCKKLODT-UHFFFAOYSA-N -1 0 347.321 3.777 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(-c3ccncn3)cc2)c(F)c1F ZINC001212515043 1129928827 /nfs/dbraw/zinc/92/88/27/1129928827.db2.gz OTCDXCXIHKEKKF-UHFFFAOYSA-N -1 0 327.290 3.864 20 0 EHADRM O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)c1cc(F)c(F)c([O-])c1F ZINC000544560802 1129965715 /nfs/dbraw/zinc/96/57/15/1129965715.db2.gz IVQMNNKFCKPZKT-BXUZGUMPSA-N -1 0 335.325 3.876 20 0 EHADRM CCc1cccnc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C ZINC000509208336 1129978445 /nfs/dbraw/zinc/97/84/45/1129978445.db2.gz DZSUXBRFNAWSED-UHFFFAOYSA-N -1 0 344.358 3.772 20 0 EHADRM c1sc(C2CC2)nc1CN=c1[n-]nc(CCCc2ccccc2)o1 ZINC000347886124 1129980527 /nfs/dbraw/zinc/98/05/27/1129980527.db2.gz GQEROYZLFVQHGM-UHFFFAOYSA-N -1 0 340.452 3.613 20 0 EHADRM CC(C)c1csc([N-]S(=O)(=O)c2ccccc2OC(F)F)n1 ZINC000171151478 1130021039 /nfs/dbraw/zinc/02/10/39/1130021039.db2.gz BFDAKLBVARXACI-UHFFFAOYSA-N -1 0 348.396 3.669 20 0 EHADRM C[C@H](NC(=O)C[C@H](C(=O)[O-])c1ccccc1)c1c(F)cccc1Cl ZINC000674410879 1130086814 /nfs/dbraw/zinc/08/68/14/1130086814.db2.gz LOFPWNKGSYCNDJ-AAEUAGOBSA-N -1 0 349.789 3.915 20 0 EHADRM COc1ccc(O)c(C(=O)Nc2ccc(COC(C)(C)C)cc2)c1 ZINC000674523962 1130115661 /nfs/dbraw/zinc/11/56/61/1130115661.db2.gz GFLSRKIGIFEQSI-UHFFFAOYSA-N -1 0 329.396 3.968 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1ccn(-c2ccccc2F)n1 ZINC000172355200 1130127317 /nfs/dbraw/zinc/12/73/17/1130127317.db2.gz WPGOCQRHNCJVDH-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM CCC[C@@H](NC(=O)c1sc2cc(C)ccc2c1Cl)c1nnn[n-]1 ZINC000675144809 1130266363 /nfs/dbraw/zinc/26/63/63/1130266363.db2.gz VVLLRKQLUDLVBT-SNVBAGLBSA-N -1 0 349.847 3.647 20 0 EHADRM CC[C@H]1c2ccccc2CCN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000675221415 1130287676 /nfs/dbraw/zinc/28/76/76/1130287676.db2.gz YRHFQQUZLWRCCH-SFHVURJKSA-N -1 0 347.418 3.728 20 0 EHADRM COc1cc(C)c(CN=c2[n-]nc(CC3CCCCC3)o2)cc1OC ZINC000347898389 1130410529 /nfs/dbraw/zinc/41/05/29/1130410529.db2.gz PRERTDGNAOPLNX-UHFFFAOYSA-N -1 0 345.443 3.552 20 0 EHADRM Cc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1Br ZINC000131134303 1130506798 /nfs/dbraw/zinc/50/67/98/1130506798.db2.gz ODSHPKXOSDWXLG-MNOVXSKESA-N -1 0 340.217 3.587 20 0 EHADRM CCCN(CC1CCCCC1)C(=O)c1n[n-]c2ccccc2c1=O ZINC000732275761 1130905152 /nfs/dbraw/zinc/90/51/52/1130905152.db2.gz AZTRHYHNGYLXTM-UHFFFAOYSA-N -1 0 327.428 3.768 20 0 EHADRM CCC[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000733674231 1131065950 /nfs/dbraw/zinc/06/59/50/1131065950.db2.gz FTCSLZZHCHXICI-INIZCTEOSA-N -1 0 337.485 3.878 20 0 EHADRM CC[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000734080384 1131193861 /nfs/dbraw/zinc/19/38/61/1131193861.db2.gz OBIQQNFIYRHYCT-AWEZNQCLSA-N -1 0 341.448 3.627 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](CC(C)C)c2ccccc2)cc1 ZINC000741108643 1131576452 /nfs/dbraw/zinc/57/64/52/1131576452.db2.gz YBDTYUQZZPNURY-SFHVURJKSA-N -1 0 345.464 3.630 20 0 EHADRM CS[C@@H]1CC[C@H](NS(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000742327846 1131706258 /nfs/dbraw/zinc/70/62/58/1131706258.db2.gz HNMQNJBMMAXVSE-VHSXEESVSA-N -1 0 340.297 3.556 20 0 EHADRM CCc1cnc([N-]S(=O)(=O)/C=C\c2ccccc2Cl)s1 ZINC000743047854 1131842681 /nfs/dbraw/zinc/84/26/81/1131842681.db2.gz DYBUHKZLBSJCGD-FPLPWBNLSA-N -1 0 328.846 3.772 20 0 EHADRM CCC[C@@H](CC)NC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC000743836465 1131982692 /nfs/dbraw/zinc/98/26/92/1131982692.db2.gz QRIOBCNFVAFYDJ-OAHLLOKOSA-N -1 0 348.468 3.520 20 0 EHADRM C/C(=C\C(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000744009667 1132007658 /nfs/dbraw/zinc/00/76/58/1132007658.db2.gz VBDIOXUGUPUEAO-CSKARUKUSA-N -1 0 349.374 3.503 20 0 EHADRM CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cc(C)sc1C ZINC000744079338 1132016698 /nfs/dbraw/zinc/01/66/98/1132016698.db2.gz NBBDTHLIXOEIIY-LLVKDONJSA-N -1 0 331.503 3.776 20 0 EHADRM CC(C)CCS(=O)(=O)[N-]C(=O)C(C)(C)c1ccc2ccccc2c1 ZINC000744123417 1132025700 /nfs/dbraw/zinc/02/57/00/1132025700.db2.gz LAADDZRTJKACOY-UHFFFAOYSA-N -1 0 347.480 3.610 20 0 EHADRM NC(=O)S(=O)(=O)c1ccc(O)c(Nc2cccc3ccccc32)c1 ZINC001173797521 1132150555 /nfs/dbraw/zinc/15/05/55/1132150555.db2.gz QVGXBZXQLKMZSV-UHFFFAOYSA-N -1 0 342.376 3.555 20 0 EHADRM CC(=O)c1cccc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])c1 ZINC001173901405 1132167185 /nfs/dbraw/zinc/16/71/85/1132167185.db2.gz DMXAIQCCHFIYQL-UHFFFAOYSA-N -1 0 325.773 3.533 20 0 EHADRM O=S(=O)([O-])c1ccc2ccc(Nc3cccc4[nH]ncc43)cc2c1 ZINC001174345873 1132324668 /nfs/dbraw/zinc/32/46/68/1132324668.db2.gz YKERWRUVDDVGMX-UHFFFAOYSA-N -1 0 339.376 3.706 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2ccc3nnc(C4CCC4)n3c2)c1 ZINC001174495344 1132371841 /nfs/dbraw/zinc/37/18/41/1132371841.db2.gz NFLJGDMGIUOTFB-JXMROGBWSA-N -1 0 334.379 3.838 20 0 EHADRM COC(=O)c1ccc(Nc2cccc(/C=C/C(=O)[O-])c2)c(F)c1F ZINC001174497511 1132372922 /nfs/dbraw/zinc/37/29/22/1132372922.db2.gz WDHSRQXUYHUPTE-VMPITWQZSA-N -1 0 333.290 3.593 20 0 EHADRM CCOC(=O)Cc1ccc(F)c(Nc2cccc(/C=C/C(=O)[O-])c2)c1 ZINC001174497548 1132373192 /nfs/dbraw/zinc/37/31/92/1132373192.db2.gz XKSVTADAKZQLFK-VQHVLOKHSA-N -1 0 343.354 3.773 20 0 EHADRM O=C(NCCc1cccc2cccnc21)c1ccc2[n-]c(=S)oc2c1 ZINC000746113096 1132376681 /nfs/dbraw/zinc/37/66/81/1132376681.db2.gz ZBHPCRWTXYVEFW-UHFFFAOYSA-N -1 0 349.415 3.637 20 0 EHADRM Cc1cccc(O[C@@H](C)CNC(=O)c2ccc3[n-]c(=S)oc3c2)c1 ZINC000746304110 1132402222 /nfs/dbraw/zinc/40/22/22/1132402222.db2.gz FJHJHAHFLYTIOC-LBPRGKRZSA-N -1 0 342.420 3.622 20 0 EHADRM O=C(c1c([O-])cc(F)cc1F)N1CCc2c1cccc2C(F)(F)F ZINC000185047179 1132413036 /nfs/dbraw/zinc/41/30/36/1132413036.db2.gz VISCPYPRUQDFCK-UHFFFAOYSA-N -1 0 343.251 3.892 20 0 EHADRM O=S(=O)([O-])c1ccc2ccc(Nc3cc(F)ccc3O)cc2c1 ZINC001174628478 1132419419 /nfs/dbraw/zinc/41/94/19/1132419419.db2.gz JCTLZDBPGCJINF-UHFFFAOYSA-N -1 0 333.340 3.675 20 0 EHADRM O=c1[n-]c(F)c(Cl)c(Nc2cnn([C@H]3CCCCO3)c2)c1Cl ZINC001174598183 1132424363 /nfs/dbraw/zinc/42/43/63/1132424363.db2.gz MDFVIYCDJCPMHQ-MRVPVSSYSA-N -1 0 347.177 3.872 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc(Br)c(C)n1 ZINC001174670285 1132431795 /nfs/dbraw/zinc/43/17/95/1132431795.db2.gz KXNDNCPZSOTWCA-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1nc(-c2ccncc2)cs1 ZINC001174670572 1132432419 /nfs/dbraw/zinc/43/24/19/1132432419.db2.gz LJHAKMXTMPBIKJ-UHFFFAOYSA-N -1 0 327.365 3.656 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cc(-c2ccc(C)cc2)nn1C ZINC001174677714 1132433660 /nfs/dbraw/zinc/43/36/60/1132433660.db2.gz QJYLVBBEJALXRJ-UHFFFAOYSA-N -1 0 337.379 3.846 20 0 EHADRM COCCCOc1ccc(Nc2ccc(C(=O)[O-])cc2OC)cc1 ZINC001174677920 1132433871 /nfs/dbraw/zinc/43/38/71/1132433871.db2.gz VBYBKZWSXULJRT-UHFFFAOYSA-N -1 0 331.368 3.552 20 0 EHADRM COc1cc(Nc2cc(C(C)(C)C)sc2C(N)=O)ccc1C(=O)[O-] ZINC001174682341 1132434666 /nfs/dbraw/zinc/43/46/66/1132434666.db2.gz GUPXYMQJIAULRO-UHFFFAOYSA-N -1 0 348.424 3.595 20 0 EHADRM CCN(CC)C(=O)c1ccccc1Nc1ccc(C(=O)[O-])cc1OC ZINC001174680458 1132435054 /nfs/dbraw/zinc/43/50/54/1132435054.db2.gz WSLZIFRANNOUAP-UHFFFAOYSA-N -1 0 342.395 3.619 20 0 EHADRM COc1cc(Nc2cc(F)c(Cl)nc2Cl)ccc1C(=O)[O-] ZINC001174683420 1132435797 /nfs/dbraw/zinc/43/57/97/1132435797.db2.gz XNJDFBUQRVHMPI-UHFFFAOYSA-N -1 0 331.130 3.978 20 0 EHADRM CCOC(=O)c1ccc(Nc2ccc(C(=O)[O-])c(OC)c2)cc1Cl ZINC001174685632 1132435826 /nfs/dbraw/zinc/43/58/26/1132435826.db2.gz XCGYTGYGOBFMPU-UHFFFAOYSA-N -1 0 349.770 3.967 20 0 EHADRM CCOC(=O)c1ccc(Nc2ccc(C(=O)[O-])c(OC)c2)c(Cl)c1 ZINC001174687044 1132436634 /nfs/dbraw/zinc/43/66/34/1132436634.db2.gz LHSLQWDVYNQDEG-UHFFFAOYSA-N -1 0 349.770 3.967 20 0 EHADRM COc1c(F)ccc(F)c1Nc1c(C)cc(C)cc1S(=O)(=O)[O-] ZINC001174663869 1132443409 /nfs/dbraw/zinc/44/34/09/1132443409.db2.gz PJPMDQSCZYVRJF-UHFFFAOYSA-N -1 0 343.351 3.581 20 0 EHADRM CCO[C@@H]1C[C@H](NC(=O)c2ccc3[n-]c(=S)oc3c2)C12CCCC2 ZINC000746328018 1132448841 /nfs/dbraw/zinc/44/88/41/1132448841.db2.gz PNSJYJGYSWPEFH-LSDHHAIUSA-N -1 0 346.452 3.584 20 0 EHADRM CCO[C@@H](C)n1cc(Nc2c(Cl)c(F)[n-]c(=O)c2Cl)cn1 ZINC001174692704 1132455884 /nfs/dbraw/zinc/45/58/84/1132455884.db2.gz HMFXUGTVAFGPJM-LURJTMIESA-N -1 0 335.166 3.728 20 0 EHADRM CC(C)(C)c1ccc(/C=C\C(=O)N2CCC(CC(=O)[O-])CC2)cc1 ZINC000746387974 1132506314 /nfs/dbraw/zinc/50/63/14/1132506314.db2.gz RTOOUSFUMCCKKF-TWGQIWQCSA-N -1 0 329.440 3.711 20 0 EHADRM O=C([O-])Cc1ccc(Nc2cncc(Br)c2Cl)cc1 ZINC001174947189 1132515466 /nfs/dbraw/zinc/51/54/66/1132515466.db2.gz DNIDXOJXAFOBFB-UHFFFAOYSA-N -1 0 341.592 3.868 20 0 EHADRM O=C([O-])Cc1ccc(Nc2noc3cc(Br)ccc32)cc1 ZINC001174948746 1132515904 /nfs/dbraw/zinc/51/59/04/1132515904.db2.gz BHKFIPKZIINZKB-UHFFFAOYSA-N -1 0 347.168 3.961 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccc(Nc2ccc(CC(=O)[O-])cc2)cn1 ZINC001174952390 1132516306 /nfs/dbraw/zinc/51/63/06/1132516306.db2.gz XPXXVIHLSGBZRQ-UHFFFAOYSA-N -1 0 343.383 3.799 20 0 EHADRM O=C([O-])Cc1ccc(Nc2ccc(OC3CCOCC3)c(F)c2)cc1 ZINC001174954244 1132517862 /nfs/dbraw/zinc/51/78/62/1132517862.db2.gz HMBRYKPFIBJIMS-UHFFFAOYSA-N -1 0 345.370 3.754 20 0 EHADRM O=C([O-])Cc1ccc(Nc2c(F)cccc2OC[C@H]2CCCO2)cc1 ZINC001174956543 1132518628 /nfs/dbraw/zinc/51/86/28/1132518628.db2.gz OAYXGNSZWDFFMO-OAHLLOKOSA-N -1 0 345.370 3.754 20 0 EHADRM O=S(=O)([O-])c1ccc(Cl)c(Nc2cc(F)c(F)c(F)c2)c1 ZINC001174961267 1132519572 /nfs/dbraw/zinc/51/95/72/1132519572.db2.gz QIVVMEUSSXUHLH-UHFFFAOYSA-N -1 0 337.706 3.748 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1ncc(Br)nc1Cl ZINC001174981987 1132534435 /nfs/dbraw/zinc/53/44/35/1132534435.db2.gz SYXNTLNXPYRPPU-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1cccc(C(=O)NCC(C)C)c1 ZINC001174984687 1132534856 /nfs/dbraw/zinc/53/48/56/1132534856.db2.gz RYDZSPJBHGOIRM-UHFFFAOYSA-N -1 0 326.396 3.823 20 0 EHADRM COC(=O)c1cc(Cl)c(Nc2cc(C(=O)[O-])ccc2C)cc1OC ZINC001174986690 1132536639 /nfs/dbraw/zinc/53/66/39/1132536639.db2.gz TVJJHAYSRPZVQW-UHFFFAOYSA-N -1 0 349.770 3.885 20 0 EHADRM COc1ccc(F)c([N-]c2nc3cccc(C(F)(F)F)n3n2)c1F ZINC001175117650 1132566394 /nfs/dbraw/zinc/56/63/94/1132566394.db2.gz SRVMCCYBLLZIAB-UHFFFAOYSA-N -1 0 344.243 3.779 20 0 EHADRM O=C([O-])c1ccc(Nc2ccnn2Cc2ccc(F)cc2)cc1F ZINC001175154085 1132568867 /nfs/dbraw/zinc/56/88/67/1132568867.db2.gz CBVHVMCCWJHQEG-UHFFFAOYSA-N -1 0 329.306 3.651 20 0 EHADRM CC(C)CNC(=O)c1cccc(Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001175159770 1132571846 /nfs/dbraw/zinc/57/18/46/1132571846.db2.gz IKXLUHYMXYEYEW-UHFFFAOYSA-N -1 0 330.359 3.653 20 0 EHADRM CCc1cc(Br)ncc1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175220078 1132598698 /nfs/dbraw/zinc/59/86/98/1132598698.db2.gz KTTSBNLSWBOCRC-UHFFFAOYSA-N -1 0 339.164 3.987 20 0 EHADRM O=C([O-])c1cc(Nc2c(F)cccc2OC[C@@H]2CCCO2)ccc1F ZINC001175221595 1132598778 /nfs/dbraw/zinc/59/87/78/1132598778.db2.gz MGBKAEDKIUJXHK-LBPRGKRZSA-N -1 0 349.333 3.964 20 0 EHADRM Nc1ccc(OC(F)(F)F)cc1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175222064 1132600102 /nfs/dbraw/zinc/60/01/02/1132600102.db2.gz QMUGPLGRIDKNOD-UHFFFAOYSA-N -1 0 330.237 3.748 20 0 EHADRM CC(=O)c1ccc(F)c(Nc2c(C)cc(C)cc2S(=O)(=O)[O-])c1 ZINC001175274774 1132609654 /nfs/dbraw/zinc/60/96/54/1132609654.db2.gz BZCCNADODFYJSP-UHFFFAOYSA-N -1 0 337.372 3.635 20 0 EHADRM CC(=O)c1ccc(F)c(Nc2ccc(S(=O)(=O)[O-])cc2Cl)c1 ZINC001175275780 1132610536 /nfs/dbraw/zinc/61/05/36/1132610536.db2.gz RKFPDHDHOPOJRZ-UHFFFAOYSA-N -1 0 343.763 3.672 20 0 EHADRM O=C([O-])c1ccc(Nc2cnccc2Br)cc1Cl ZINC001175317462 1132636753 /nfs/dbraw/zinc/63/67/53/1132636753.db2.gz XTNFUPKDRMJEOO-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM COc1cc(OC)c(Nc2ccc(C(=O)[O-])c(Cl)c2)c(OC)c1 ZINC001175319981 1132637796 /nfs/dbraw/zinc/63/77/96/1132637796.db2.gz LDMVYQQNOIBPIV-UHFFFAOYSA-N -1 0 337.759 3.808 20 0 EHADRM CC(=O)N1CCc2c1cccc2Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175322550 1132639248 /nfs/dbraw/zinc/63/92/48/1132639248.db2.gz YSWOAVVZPHWMSH-UHFFFAOYSA-N -1 0 330.771 3.691 20 0 EHADRM Cc1c2c[nH]nc2ccc1Nc1ccc(Cl)cc1S(=O)(=O)[O-] ZINC001175468416 1132674575 /nfs/dbraw/zinc/67/45/75/1132674575.db2.gz SIHSFEUTRVXNIE-UHFFFAOYSA-N -1 0 337.788 3.515 20 0 EHADRM O=C([O-])c1cncc(Nc2cccc(C(=O)NC3CCCCC3)c2)c1 ZINC001175841461 1132772854 /nfs/dbraw/zinc/77/28/54/1132772854.db2.gz GZDPGJDQVHAMCD-UHFFFAOYSA-N -1 0 339.395 3.586 20 0 EHADRM O=C([O-])c1cncc(Nc2ccc3c(cnn3Cc3ccccc3)c2)c1 ZINC001175841683 1132772896 /nfs/dbraw/zinc/77/28/96/1132772896.db2.gz RNNMXLKJNKVSQV-UHFFFAOYSA-N -1 0 344.374 3.921 20 0 EHADRM O=C([O-])c1cncc(Nc2c(Cl)cccc2C(=O)C(F)(F)F)c1 ZINC001175843590 1132773675 /nfs/dbraw/zinc/77/36/75/1132773675.db2.gz VCWFYTDHTZYPBM-UHFFFAOYSA-N -1 0 344.676 3.922 20 0 EHADRM Cc1cc(F)c(Br)cc1Nc1cncc(C(=O)[O-])c1 ZINC001175843201 1132773771 /nfs/dbraw/zinc/77/37/71/1132773771.db2.gz LDMHSEGPHBSNSK-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM O=c1cc(Nc2cccnc2OCc2ccccc2)nc(Cl)[n-]1 ZINC001175876277 1132790839 /nfs/dbraw/zinc/79/08/39/1132790839.db2.gz PHGDTCKIEYTQIL-UHFFFAOYSA-N -1 0 328.759 3.553 20 0 EHADRM COc1cc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])c(F)cc1F ZINC001176109090 1132849006 /nfs/dbraw/zinc/84/90/06/1132849006.db2.gz HLAZJVLDHZWLLD-UHFFFAOYSA-N -1 0 349.742 3.617 20 0 EHADRM C[C@@H]1CCC[C@@H](OCCCCCC(=O)NOCC(F)(F)F)C1 ZINC000766828689 1132855444 /nfs/dbraw/zinc/85/54/44/1132855444.db2.gz XYPOSDKJJSKCBL-CHWSQXEVSA-N -1 0 325.371 3.752 20 0 EHADRM C[C@@H]1CCC[C@H](OCCCCCC(=O)NOCC(F)(F)F)C1 ZINC000766828690 1132855841 /nfs/dbraw/zinc/85/58/41/1132855841.db2.gz XYPOSDKJJSKCBL-OLZOCXBDSA-N -1 0 325.371 3.752 20 0 EHADRM S=c1[n-]c2cc(NCc3cccnc3N3CCCC3)ccc2o1 ZINC001169861027 1132882788 /nfs/dbraw/zinc/88/27/88/1132882788.db2.gz QYOGERJHFDRPAP-UHFFFAOYSA-N -1 0 326.425 3.724 20 0 EHADRM O=C([O-])Cn1cc(Nc2cc(F)cc3c2-c2ccc(F)cc2C3)cn1 ZINC001176273625 1132899269 /nfs/dbraw/zinc/89/92/69/1132899269.db2.gz OLXPITHJAUOXAV-UHFFFAOYSA-N -1 0 341.317 3.561 20 0 EHADRM O=C([O-])Cn1cc(Nc2ccc(Oc3ccnc(Cl)c3)cc2)cn1 ZINC001176271164 1132899418 /nfs/dbraw/zinc/89/94/18/1132899418.db2.gz NVNKAVNLZHGSPU-UHFFFAOYSA-N -1 0 344.758 3.552 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)N(CCC(=O)[O-])CC(C)C ZINC000766908404 1132912571 /nfs/dbraw/zinc/91/25/71/1132912571.db2.gz MPZIHBDIYZLNPS-SNGWPZLWSA-N -1 0 347.455 3.836 20 0 EHADRM COc1ccc(Nc2csc(C(=O)[O-])c2)c(Br)c1 ZINC001176439436 1132929536 /nfs/dbraw/zinc/92/95/36/1132929536.db2.gz PZBQTKMEHFRIQR-UHFFFAOYSA-N -1 0 328.187 3.961 20 0 EHADRM Cn1c(C(=O)N(CC(=O)[O-])C2CCCCC2)ccc1-c1ccccc1 ZINC000767024181 1132935028 /nfs/dbraw/zinc/93/50/28/1132935028.db2.gz FWPGNAQCZXFMQS-UHFFFAOYSA-N -1 0 340.423 3.552 20 0 EHADRM Cc1cc(/C=C\C(=O)N[C@@H](C)CC(=O)[O-])c(C)n1C1CCCCC1 ZINC000767086270 1132947079 /nfs/dbraw/zinc/94/70/79/1132947079.db2.gz QMOFHWJASSOAED-XPSMFNQNSA-N -1 0 332.444 3.603 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)C[C@H]2CCc3ccccc3C2)cc1 ZINC000767091452 1132947873 /nfs/dbraw/zinc/94/78/73/1132947873.db2.gz KSMOBEDWHQRZPD-LJEUOOAZSA-N -1 0 335.403 3.918 20 0 EHADRM COc1cccc(-n2nccc2Nc2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC001176593476 1132963479 /nfs/dbraw/zinc/96/34/79/1132963479.db2.gz CYFZZIOFBSJDHP-JXMROGBWSA-N -1 0 335.363 3.722 20 0 EHADRM CC(C)CNC(=O)c1cccc(Nc2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC001176595049 1132963742 /nfs/dbraw/zinc/96/37/42/1132963742.db2.gz AOHQEOYKWYJDCH-DHZHZOJOSA-N -1 0 338.407 3.914 20 0 EHADRM COC(=O)c1cc(Cl)cc(Nc2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC001176595837 1132964143 /nfs/dbraw/zinc/96/41/43/1132964143.db2.gz PWNQBBVWOZRWHS-QPJJXVBHSA-N -1 0 331.755 3.968 20 0 EHADRM COCCOc1cccc(F)c1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176597762 1132976242 /nfs/dbraw/zinc/97/62/42/1132976242.db2.gz VDKBFOFUMAMLAH-JXMROGBWSA-N -1 0 331.343 3.692 20 0 EHADRM Nc1cncc(S(=O)(=O)[N-]c2ccc(C3CCCCC3)cc2)c1 ZINC001176731037 1132988503 /nfs/dbraw/zinc/98/85/03/1132988503.db2.gz RZOJQSMHMUMGPE-UHFFFAOYSA-N -1 0 331.441 3.512 20 0 EHADRM CS(=O)(=O)c1ccc(Nc2cc(Cl)ccc2[S-])cc1F ZINC001176741663 1132990477 /nfs/dbraw/zinc/99/04/77/1132990477.db2.gz XFECSJAVUMQJDA-UHFFFAOYSA-N -1 0 331.821 3.915 20 0 EHADRM C[C@@H]1CC[C@H](OC(=O)c2cc3ccccc3cc2[N-]S(C)(=O)=O)C1 ZINC000767517418 1133011833 /nfs/dbraw/zinc/01/18/33/1133011833.db2.gz CKFOUBQQTDATSP-DOMZBBRYSA-N -1 0 347.436 3.557 20 0 EHADRM COc1ccc(CNC(=O)c2cc(Cl)ccc2O)cc1Cl ZINC001177315927 1133053321 /nfs/dbraw/zinc/05/33/21/1133053321.db2.gz SIAXIXLDZHUYBP-UHFFFAOYSA-N -1 0 326.179 3.638 20 0 EHADRM O=C(CSc1n[n-]c(=S)s1)Nc1cc2ccccc2s1 ZINC001177337147 1133055552 /nfs/dbraw/zinc/05/55/52/1133055552.db2.gz LBSDAJGHOAINDG-UHFFFAOYSA-N -1 0 339.492 3.772 20 0 EHADRM O=C(Cc1csc(-c2ccc(O)cc2)n1)Nc1ccccc1[S-] ZINC001177985364 1133126757 /nfs/dbraw/zinc/12/67/57/1133126757.db2.gz OISSPFWCRFUITE-UHFFFAOYSA-N -1 0 342.445 3.986 20 0 EHADRM Cc1ccc(C2(C(=O)Nc3ccc4[n-]c(=S)sc4c3)CC2)nc1 ZINC001178142081 1133135871 /nfs/dbraw/zinc/13/58/71/1133135871.db2.gz KGCYOJTZRMYUEB-UHFFFAOYSA-N -1 0 341.461 3.959 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1c[nH]c(-c2ccccc2)n1 ZINC000769241401 1133249548 /nfs/dbraw/zinc/24/95/48/1133249548.db2.gz DLMVZAGEIBSNNT-UHFFFAOYSA-N -1 0 336.376 3.759 20 0 EHADRM O=C(CSc1ccc(F)cc1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000769247207 1133250737 /nfs/dbraw/zinc/25/07/37/1133250737.db2.gz GGTXTVIQNHTOPN-UHFFFAOYSA-N -1 0 334.397 3.986 20 0 EHADRM COc1ccc([C@H]([N-]C(=O)C(F)(F)C(F)(F)Cl)C2CC2)cc1 ZINC001179781569 1133279248 /nfs/dbraw/zinc/27/92/48/1133279248.db2.gz HOMIRXMRIXQPGL-LLVKDONJSA-N -1 0 339.716 3.729 20 0 EHADRM CCC1([N-]C(=O)C(F)(F)C(F)(F)Cl)CCC(F)(F)CC1 ZINC001179782076 1133279752 /nfs/dbraw/zinc/27/97/52/1133279752.db2.gz ZENQZCMWPCNVEM-UHFFFAOYSA-N -1 0 325.680 3.928 20 0 EHADRM C[C@H](NC(=O)CC(C)(C)Cc1ccc(Cl)cc1)c1nn(C)cc1[O-] ZINC001179926893 1133300127 /nfs/dbraw/zinc/30/01/27/1133300127.db2.gz PGIGVBYHDROWLT-LBPRGKRZSA-N -1 0 349.862 3.615 20 0 EHADRM COc1cc(OC)c(NC(=O)c2c([O-])cccc2Cl)cc1Cl ZINC000769614148 1133322589 /nfs/dbraw/zinc/32/25/89/1133322589.db2.gz HZDUWPMEKNLCLV-UHFFFAOYSA-N -1 0 342.178 3.969 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(C)nc1Cl ZINC000769651876 1133325724 /nfs/dbraw/zinc/32/57/24/1133325724.db2.gz UIUYOEVASNMCMW-UHFFFAOYSA-N -1 0 340.832 3.633 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)c(Cl)n1 ZINC000769651777 1133326124 /nfs/dbraw/zinc/32/61/24/1133326124.db2.gz SDTWOMVPCKMOKJ-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM COc1cc(C)c(NC(=O)c2ccc3[n-]c(=S)oc3c2)cc1C ZINC000769696862 1133331210 /nfs/dbraw/zinc/33/12/10/1133331210.db2.gz OEYBMOWFHWEHTM-UHFFFAOYSA-N -1 0 328.393 3.994 20 0 EHADRM CCn1nc(/C=C\c2ncc(/C=C/C(=O)[O-])s2)c2ccccc21 ZINC000769740467 1133341280 /nfs/dbraw/zinc/34/12/80/1133341280.db2.gz FPKDXFAKTQGOAU-ABGYPUNPSA-N -1 0 325.393 3.781 20 0 EHADRM O=S(=O)([N-]c1cnc2ccccc2c1)c1c[nH]c2cccc(F)c21 ZINC000769859044 1133351899 /nfs/dbraw/zinc/35/18/99/1133351899.db2.gz LCZKSSHDTOKPEB-UHFFFAOYSA-N -1 0 341.367 3.656 20 0 EHADRM O=C([O-])C1(C(=O)N[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2c2ccccc2)CCCCC1 ZINC001180440707 1133370333 /nfs/dbraw/zinc/37/03/33/1133370333.db2.gz RHXFVGCIFVMBFY-MHORFTMASA-N -1 0 341.451 3.720 20 0 EHADRM Cc1nc2cc(NC(=O)C3(C(=O)[O-])CCCCC3)c(C)cc2s1 ZINC001180437040 1133370821 /nfs/dbraw/zinc/37/08/21/1133370821.db2.gz ZWJYYSAPDUACRY-UHFFFAOYSA-N -1 0 332.425 3.887 20 0 EHADRM O=C(Nc1ccc(Oc2cnccn2)cc1)c1cc(Cl)ccc1[O-] ZINC000047187349 1133414512 /nfs/dbraw/zinc/41/45/12/1133414512.db2.gz GAWIHYLPJXSCCZ-UHFFFAOYSA-N -1 0 341.754 3.880 20 0 EHADRM O=C(/C=C\c1ccc(Cl)nc1)Nc1cc(F)cc(Cl)c1[O-] ZINC000771504758 1133567228 /nfs/dbraw/zinc/56/72/28/1133567228.db2.gz MHVCVQZJJNIKMW-RQOWECAXSA-N -1 0 327.142 3.885 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1cccnc1Br ZINC000771512845 1133568217 /nfs/dbraw/zinc/56/82/17/1133568217.db2.gz QTFXPKMAVIZZQE-UHFFFAOYSA-N -1 0 345.555 3.595 20 0 EHADRM O=C(Nc1ccc(OC(=O)c2cc(F)c([O-])c(Cl)c2)cc1)C1CC1 ZINC000772122399 1133643939 /nfs/dbraw/zinc/64/39/39/1133643939.db2.gz KPLVKPVAXBYYBW-UHFFFAOYSA-N -1 0 349.745 3.752 20 0 EHADRM C[C@H](CNC(=O)c1cc(F)c([O-])c(Cl)c1)c1nc2ccccc2o1 ZINC000772348538 1133677354 /nfs/dbraw/zinc/67/73/54/1133677354.db2.gz QPOGNZYFUMEPHH-SECBINFHSA-N -1 0 348.761 3.859 20 0 EHADRM O=C([N-]c1nc(-c2ccccc2)no1)c1ocnc1-c1ccccc1 ZINC001182541469 1133698671 /nfs/dbraw/zinc/69/86/71/1133698671.db2.gz UTNVHRTVNGYYHU-UHFFFAOYSA-N -1 0 332.319 3.644 20 0 EHADRM O=C([O-])/C=C\c1cnc(/C=C/c2c(C3CC3)nc3sccn23)s1 ZINC000774554571 1133740614 /nfs/dbraw/zinc/74/06/14/1133740614.db2.gz AFPWEIUHKZFVNH-FQYFJTKBSA-N -1 0 343.433 3.998 20 0 EHADRM O=C(Nc1cc(Br)cc(Cl)c1[O-])c1ccccc1O ZINC001183103189 1133769838 /nfs/dbraw/zinc/76/98/38/1133769838.db2.gz VKZYDQLJGBJFFK-UHFFFAOYSA-N -1 0 342.576 3.766 20 0 EHADRM CC1(C)NC(=O)Nc2ccc(NC(=O)Cc3ccc([S-])cc3)cc21 ZINC001183187907 1133776505 /nfs/dbraw/zinc/77/65/05/1133776505.db2.gz QKSCGADSBGVDBU-UHFFFAOYSA-N -1 0 341.436 3.527 20 0 EHADRM O=C(Cc1ccc([S-])cc1)N1CCOC[C@H]1c1ccc(Cl)cc1 ZINC001183190070 1133777691 /nfs/dbraw/zinc/77/76/91/1133777691.db2.gz AUKREPCITWARCB-KRWDZBQOSA-N -1 0 347.867 3.771 20 0 EHADRM O=C(Cc1ccc([S-])cc1)Nc1ccc(Cl)c2nsnc21 ZINC001183189908 1133777760 /nfs/dbraw/zinc/77/77/60/1133777760.db2.gz XMCZALYUQHPFSW-UHFFFAOYSA-N -1 0 335.841 3.815 20 0 EHADRM O=C([N-]CCCSCc1ccc(F)cc1Cl)C(F)(F)F ZINC000774679597 1133852330 /nfs/dbraw/zinc/85/23/30/1133852330.db2.gz LLRBIHJXWXHXEX-UHFFFAOYSA-N -1 0 329.746 3.781 20 0 EHADRM O=C(CSc1ccc2c3c(cccc31)CC2)[N-]OCC1CCC1 ZINC001184023872 1133885462 /nfs/dbraw/zinc/88/54/62/1133885462.db2.gz WLEVIZOFJBRHPD-UHFFFAOYSA-N -1 0 327.449 3.878 20 0 EHADRM O=C(C=C([O-])c1ccc(Cl)cc1)CCC(=O)Nc1ccsc1 ZINC001184114817 1133894388 /nfs/dbraw/zinc/89/43/88/1133894388.db2.gz LWCSCPZJLCTYAS-UHFFFAOYSA-N -1 0 335.812 3.962 20 0 EHADRM CC(C)[C@H]([N-]S(=O)(=O)/C=C\c1ccccc1Cl)C(F)(F)F ZINC000786888067 1133916348 /nfs/dbraw/zinc/91/63/48/1133916348.db2.gz CLYMZSKPHZCGBK-KRZKBDHCSA-N -1 0 341.782 3.817 20 0 EHADRM CC(=O)c1ccnc(C(=O)Nc2c(Cl)ccc([O-])c2Cl)c1 ZINC001184854636 1133994480 /nfs/dbraw/zinc/99/44/80/1133994480.db2.gz YZBVOHRIGLXFRG-UHFFFAOYSA-N -1 0 325.151 3.549 20 0 EHADRM Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3n[n-]c4ccccc4c3=O)C2)cc1 ZINC000787793687 1134042311 /nfs/dbraw/zinc/04/23/11/1134042311.db2.gz DBDQPJZNMXBOCC-HOCLYGCPSA-N -1 0 347.418 3.662 20 0 EHADRM C[C@H](CC1CCCCC1)NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000787927449 1134054798 /nfs/dbraw/zinc/05/47/98/1134054798.db2.gz FQQNCPGDCQQMRQ-LLVKDONJSA-N -1 0 345.468 3.713 20 0 EHADRM O=S(=O)([N-]c1cc(F)c(OCC2CC2)c(F)c1)c1ccsc1 ZINC001185391709 1134078484 /nfs/dbraw/zinc/07/84/84/1134078484.db2.gz CYNGYVUKGSCJOP-UHFFFAOYSA-N -1 0 345.392 3.616 20 0 EHADRM O=C(COc1ccc(OCc2ccccc2)cc1)[N-]OC1CCCC1 ZINC000774874680 1134081721 /nfs/dbraw/zinc/08/17/21/1134081721.db2.gz LFGWPLDCVYTILV-UHFFFAOYSA-N -1 0 341.407 3.635 20 0 EHADRM O=C(C=C([O-])c1ccccc1Cl)N1CCC[C@@H]1c1ccccn1 ZINC001185434054 1134085337 /nfs/dbraw/zinc/08/53/37/1134085337.db2.gz BRXOSUQAJFVIDF-MRXNPFEDSA-N -1 0 328.799 3.672 20 0 EHADRM C[C@H](O)c1ccc([N-]S(=O)(=O)c2cc3ccccc3s2)cc1 ZINC001185459040 1134091202 /nfs/dbraw/zinc/09/12/02/1134091202.db2.gz CZSUMMOJZARFKR-NSHDSACASA-N -1 0 333.434 3.755 20 0 EHADRM O=S(=O)([N-]c1ccc2ncncc2c1)c1cc2ccccc2s1 ZINC001185462714 1134092117 /nfs/dbraw/zinc/09/21/17/1134092117.db2.gz KNBQQACBMPBXAY-UHFFFAOYSA-N -1 0 341.417 3.645 20 0 EHADRM O=S(=O)([N-]c1cccc2ocnc21)c1cc2ccccc2s1 ZINC001185460559 1134092327 /nfs/dbraw/zinc/09/23/27/1134092327.db2.gz URYCVPMOPXWLQD-UHFFFAOYSA-N -1 0 330.390 3.843 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cnc(C3CC3)s2)ccc1Cl ZINC001185497116 1134099041 /nfs/dbraw/zinc/09/90/41/1134099041.db2.gz QKBZOHKKCJLRPQ-UHFFFAOYSA-N -1 0 328.846 3.783 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)ccc1Cl ZINC001185525338 1134102883 /nfs/dbraw/zinc/10/28/83/1134102883.db2.gz YHXXGXIGRMLUJC-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM CC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1 ZINC001185529370 1134103810 /nfs/dbraw/zinc/10/38/10/1134103810.db2.gz BPIFNTGDNFTHEK-UHFFFAOYSA-N -1 0 341.791 3.791 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(Cc2ccccc2)no1 ZINC001185795953 1134134087 /nfs/dbraw/zinc/13/40/87/1134134087.db2.gz UJNRPAQVVAVLTJ-UHFFFAOYSA-N -1 0 346.383 3.514 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(-c2cccs2)no1 ZINC001185796925 1134134673 /nfs/dbraw/zinc/13/46/73/1134134673.db2.gz VIZDQVHRQZZYSG-UHFFFAOYSA-N -1 0 338.385 3.651 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(C(C)(C)C)ns1 ZINC001185801688 1134135502 /nfs/dbraw/zinc/13/55/02/1134135502.db2.gz QKVVPNHZVSGZDR-UHFFFAOYSA-N -1 0 328.434 3.689 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1c(C)cccc1C1CC1 ZINC001185918243 1134151363 /nfs/dbraw/zinc/15/13/63/1134151363.db2.gz NXKSXDAVHUYNIN-UHFFFAOYSA-N -1 0 345.420 3.680 20 0 EHADRM CN(C)c1cccc(CC(=O)Nc2c(Cl)ccc([O-])c2Cl)c1 ZINC001186068154 1134163842 /nfs/dbraw/zinc/16/38/42/1134163842.db2.gz HQSCPDQEBOQDML-UHFFFAOYSA-N -1 0 339.222 3.946 20 0 EHADRM COc1ccc(-c2nnsc2NC(=O)c2cccc([S-])c2)cc1 ZINC001186130127 1134172273 /nfs/dbraw/zinc/17/22/73/1134172273.db2.gz DBHPQFCWJIZECP-UHFFFAOYSA-N -1 0 343.433 3.755 20 0 EHADRM O=C(c1cccc([S-])c1)N1CCC2(CC1)OCCc1ccccc12 ZINC001186148231 1134174654 /nfs/dbraw/zinc/17/46/54/1134174654.db2.gz AIGUFWZSCSEVKK-UHFFFAOYSA-N -1 0 339.460 3.680 20 0 EHADRM CCc1nccc(C)c1[N-]S(=O)(=O)c1csc2ccccc21 ZINC001186466593 1134225946 /nfs/dbraw/zinc/22/59/46/1134225946.db2.gz CIDHNDQBVDJKTJ-UHFFFAOYSA-N -1 0 332.450 3.968 20 0 EHADRM CC(C)c1nccnc1[N-]S(=O)(=O)c1csc2ccccc21 ZINC001186466978 1134226064 /nfs/dbraw/zinc/22/60/64/1134226064.db2.gz FXYXHCBXRAVJOL-UHFFFAOYSA-N -1 0 333.438 3.616 20 0 EHADRM O=S(=O)([N-]c1ccncn1)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC001186607081 1134239416 /nfs/dbraw/zinc/23/94/16/1134239416.db2.gz JXUCEUQVUMXPNZ-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM O=S(=O)([N-]c1cncnc1)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC001186606177 1134239550 /nfs/dbraw/zinc/23/95/50/1134239550.db2.gz UHICTEAULVWIOH-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM O=S(=O)([N-]c1ncccn1)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC001186606202 1134239656 /nfs/dbraw/zinc/23/96/56/1134239656.db2.gz UVMDEJPEIVUYHL-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM Cn1ccc([N-]S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)n1 ZINC001186606048 1134239691 /nfs/dbraw/zinc/23/96/91/1134239691.db2.gz ODGPQYKPZFYZSY-UHFFFAOYSA-N -1 0 347.827 3.541 20 0 EHADRM O=S(=O)([N-]c1cccc(C(F)(F)F)c1Cl)c1ccco1 ZINC001186856792 1134269582 /nfs/dbraw/zinc/26/95/82/1134269582.db2.gz ZGWHXRPJYWITFM-UHFFFAOYSA-N -1 0 325.695 3.753 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])c1ccc(NC(=O)NCCC(F)(F)F)cc1 ZINC001187014387 1134282424 /nfs/dbraw/zinc/28/24/24/1134282424.db2.gz VIEPVUAHAGACCH-GFCCVEGCSA-N -1 0 346.349 3.975 20 0 EHADRM O=S(=O)([N-]c1ccc2ncoc2c1)c1cc2c(s1)CCCC2 ZINC001187173866 1134310625 /nfs/dbraw/zinc/31/06/25/1134310625.db2.gz MUMJTYFCRZAMMV-UHFFFAOYSA-N -1 0 334.422 3.569 20 0 EHADRM CCOC(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2[O-])cc1 ZINC001187278146 1134318482 /nfs/dbraw/zinc/31/84/82/1134318482.db2.gz SBPSECACTOJZQG-UHFFFAOYSA-N -1 0 334.759 3.866 20 0 EHADRM Cc1c(S(=O)(=O)[N-]c2cnc(Cl)cc2C)c2ccccc2n1C ZINC000789736531 1134330257 /nfs/dbraw/zinc/33/02/57/1134330257.db2.gz AQSUBWOARJAWMX-UHFFFAOYSA-N -1 0 349.843 3.644 20 0 EHADRM Cc1cc(=O)c(COC(=O)c2cc3c(s2)CCCCCC3)n[n-]1 ZINC000789775109 1134337390 /nfs/dbraw/zinc/33/73/90/1134337390.db2.gz QFCPFXKOUOSRGN-UHFFFAOYSA-N -1 0 332.425 3.568 20 0 EHADRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc([O-])c(Cl)c1 ZINC000075536272 1134368836 /nfs/dbraw/zinc/36/88/36/1134368836.db2.gz JPHPZMHOTNMXSS-DOTOQJQBSA-N -1 0 340.810 3.958 20 0 EHADRM O=S(=O)([N-]c1ccc(C(F)(F)F)c(Cl)c1)c1nccs1 ZINC001187890932 1134398652 /nfs/dbraw/zinc/39/86/52/1134398652.db2.gz BTYPRIYWEUFJEU-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(N2CCCCC2)cc1 ZINC000775157610 1134412077 /nfs/dbraw/zinc/41/20/77/1134412077.db2.gz HYYKLZDGVCYWBL-UHFFFAOYSA-N -1 0 348.443 3.925 20 0 EHADRM COc1cncc(C(=O)Nc2cccc(Cl)c2SC(F)F)n1 ZINC000790561234 1134435265 /nfs/dbraw/zinc/43/52/65/1134435265.db2.gz ZAXROQVSAUABFK-UHFFFAOYSA-N -1 0 345.758 3.706 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])c1ccc(NC(=O)NCc2ccco2)cc1 ZINC001188176828 1134436789 /nfs/dbraw/zinc/43/67/89/1134436789.db2.gz YLVUVYRXYQWUOK-OAHLLOKOSA-N -1 0 330.384 3.816 20 0 EHADRM CC(C)Cc1ccc(S(=O)(=O)[N-]c2nccc3ccncc32)cc1 ZINC000790645282 1134450795 /nfs/dbraw/zinc/45/07/95/1134450795.db2.gz XAERHAASJFNMAE-UHFFFAOYSA-N -1 0 341.436 3.629 20 0 EHADRM O=S(=O)(Nc1cc(OC(F)(F)F)ccc1Cl)c1ccoc1 ZINC001188615596 1134483029 /nfs/dbraw/zinc/48/30/29/1134483029.db2.gz RRXQHUWFHVWEPE-UHFFFAOYSA-N -1 0 341.694 3.632 20 0 EHADRM O=C(NC1CC2(C1)CC(F)(F)C2)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188588185 1134485671 /nfs/dbraw/zinc/48/56/71/1134485671.db2.gz HUQOESNRSPAEPX-UHFFFAOYSA-N -1 0 335.272 3.719 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])Nc1cc(F)cc2c1OCOC2 ZINC001188867043 1134514251 /nfs/dbraw/zinc/51/42/51/1134514251.db2.gz MRHBABPGCJBHPG-UHFFFAOYSA-N -1 0 338.722 3.695 20 0 EHADRM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc3ccccc3nc2C)c1 ZINC001189200825 1134551580 /nfs/dbraw/zinc/55/15/80/1134551580.db2.gz NDXAREKXORDNDN-UHFFFAOYSA-N -1 0 340.404 3.547 20 0 EHADRM CCOCCO[N-]C(=O)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC000775238403 1134574780 /nfs/dbraw/zinc/57/47/80/1134574780.db2.gz IZYROTVYSKDACP-KRWDZBQOSA-N -1 0 349.814 3.544 20 0 EHADRM O=S(=O)(Cc1ccccc1C(F)(F)F)Nc1ccc([S-])cc1 ZINC001189529631 1134599031 /nfs/dbraw/zinc/59/90/31/1134599031.db2.gz JRFJWKPFAYZZIL-UHFFFAOYSA-N -1 0 347.383 3.936 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1Cl)S(=O)(=O)[N-]C(=O)C=C1CCC1 ZINC000772782821 1134608373 /nfs/dbraw/zinc/60/83/73/1134608373.db2.gz ABZMIESKAZGHGS-VIFPVBQESA-N -1 0 348.251 3.611 20 0 EHADRM O=S(=O)([N-]c1cccc2cc[nH]c21)c1c(Cl)ccnc1Cl ZINC000775296276 1134617734 /nfs/dbraw/zinc/61/77/34/1134617734.db2.gz CHIYLOAQJKONOU-UHFFFAOYSA-N -1 0 342.207 3.671 20 0 EHADRM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1cc2ccccc2cc1O ZINC001189823496 1134630530 /nfs/dbraw/zinc/63/05/30/1134630530.db2.gz KQDOOZRAHQRFFY-UHFFFAOYSA-N -1 0 349.358 3.766 20 0 EHADRM O=S(=O)(Cc1ccc(F)cc1F)Nc1c([S-])cccc1Cl ZINC001189831039 1134631386 /nfs/dbraw/zinc/63/13/86/1134631386.db2.gz HTHYGCNYBUKQFH-UHFFFAOYSA-N -1 0 349.811 3.849 20 0 EHADRM C[C@@H](CC1CCCCC1)NS(=O)(=O)c1cccc(Cl)c1[O-] ZINC001189938067 1134639736 /nfs/dbraw/zinc/63/97/36/1134639736.db2.gz ZVRCFJMFISNPTR-NSHDSACASA-N -1 0 331.865 3.683 20 0 EHADRM O=C(Nc1cccnc1F)c1cc(Br)ccc1[S-] ZINC001189951782 1134641508 /nfs/dbraw/zinc/64/15/08/1134641508.db2.gz RXXQGYVZLKVWJG-UHFFFAOYSA-N -1 0 327.178 3.524 20 0 EHADRM Cc1ccc2c(cccc2[N-]S(=O)(=O)c2ncc(F)cc2F)c1 ZINC001190194427 1134670013 /nfs/dbraw/zinc/67/00/13/1134670013.db2.gz NQKPCLFPKMNDGI-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)cc1Cl ZINC001190347651 1134686048 /nfs/dbraw/zinc/68/60/48/1134686048.db2.gz GESRPIAEWXUYJD-UHFFFAOYSA-N -1 0 335.734 3.867 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190390830 1134689366 /nfs/dbraw/zinc/68/93/66/1134689366.db2.gz JJKXKXUUGKFFSL-UHFFFAOYSA-N -1 0 345.342 3.694 20 0 EHADRM CCCC[C@H]1CC[C@H](c2ccc(C(=O)NCc3nnn[n-]3)cc2)CC1 ZINC001190911612 1134769036 /nfs/dbraw/zinc/76/90/36/1134769036.db2.gz BNTHRWFTODRYRF-SHTZXODSSA-N -1 0 341.459 3.594 20 0 EHADRM COc1cc(C(=O)Nc2cccc(F)c2C(C)=O)cc(Cl)c1[O-] ZINC001191148616 1134801126 /nfs/dbraw/zinc/80/11/26/1134801126.db2.gz NCPCRLSFXUWOAW-UHFFFAOYSA-N -1 0 337.734 3.648 20 0 EHADRM O=C(c1ccc(Nc2ccc([S-])cc2)cc1)N1CCC(=O)CC1 ZINC001191147025 1134801563 /nfs/dbraw/zinc/80/15/63/1134801563.db2.gz OXQVDQIZBLHJSK-UHFFFAOYSA-N -1 0 326.421 3.524 20 0 EHADRM COc1cc(C(=O)Nc2cccc3c2C(=O)CCC3)cc(Cl)c1[O-] ZINC001191148946 1134801984 /nfs/dbraw/zinc/80/19/84/1134801984.db2.gz WFLDTCPMJMSGNY-UHFFFAOYSA-N -1 0 345.782 3.826 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc3c(c2)N=NC3)c1 ZINC001191195899 1134813525 /nfs/dbraw/zinc/81/35/25/1134813525.db2.gz DEOTUYIQHTUPOD-UHFFFAOYSA-N -1 0 338.392 3.941 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cnc3occc3c2)cc1 ZINC001191231978 1134832214 /nfs/dbraw/zinc/83/22/14/1134832214.db2.gz BDBQKUUTLRCSTA-UHFFFAOYSA-N -1 0 330.409 3.971 20 0 EHADRM C[C@H]1CCC[C@@H](CC(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000747100216 1134849635 /nfs/dbraw/zinc/84/96/35/1134849635.db2.gz CWNWOWRPXOGJPE-LSDHHAIUSA-N -1 0 345.464 3.861 20 0 EHADRM CC(=O)c1cc(Cl)c(F)cc1[N-]S(=O)(=O)CC1CCCC1 ZINC001191535102 1134881339 /nfs/dbraw/zinc/88/13/39/1134881339.db2.gz DSTJSMGQOBVPHI-UHFFFAOYSA-N -1 0 333.812 3.614 20 0 EHADRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc(C)nc1C ZINC001191651526 1134899356 /nfs/dbraw/zinc/89/93/56/1134899356.db2.gz CRPHPJNELDJKBT-UHFFFAOYSA-N -1 0 334.441 3.631 20 0 EHADRM COc1cncc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2Cl)c1 ZINC001191727873 1134905784 /nfs/dbraw/zinc/90/57/84/1134905784.db2.gz AAYLYKFDNOWFJD-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CCCCCC(=O)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000793351807 1134916889 /nfs/dbraw/zinc/91/68/89/1134916889.db2.gz HXFWAMPPLROFNZ-UHFFFAOYSA-N -1 0 338.256 3.687 20 0 EHADRM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2ccccc2O)c1Cl ZINC001191757112 1134917539 /nfs/dbraw/zinc/91/75/39/1134917539.db2.gz JTPSCNLCFQLRNX-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(C)nc(Cl)c1 ZINC001191788507 1134923851 /nfs/dbraw/zinc/92/38/51/1134923851.db2.gz VVLCDOKMTQWIRL-UHFFFAOYSA-N -1 0 340.832 3.551 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(F)cc(Cl)c1 ZINC001191821998 1134930087 /nfs/dbraw/zinc/93/00/87/1134930087.db2.gz ZMHYJCOIEVLBAR-UHFFFAOYSA-N -1 0 343.807 3.987 20 0 EHADRM COC(=O)c1ccc(OC(F)F)c(-c2ccsc2C(=O)[O-])c1 ZINC001205572249 1134933445 /nfs/dbraw/zinc/93/34/45/1134933445.db2.gz GVKHSKZQECMCPV-UHFFFAOYSA-N -1 0 328.292 3.501 20 0 EHADRM O=S(=O)(Cc1ccc(Cl)cc1F)[N-]c1cnc(C2CC2)s1 ZINC001191872390 1134937994 /nfs/dbraw/zinc/93/79/94/1134937994.db2.gz HIDOMFPFSUIVSK-UHFFFAOYSA-N -1 0 346.836 3.755 20 0 EHADRM O=S(=O)([N-]c1c(F)cc(F)cc1Cl)C(Cl)(Cl)Cl ZINC001192035024 1134957966 /nfs/dbraw/zinc/95/79/66/1134957966.db2.gz MUONSJQNGJRRQK-UHFFFAOYSA-N -1 0 344.981 3.688 20 0 EHADRM COc1cc(Nc2ccc(C(=O)[O-])cc2F)ccc1-c1cnco1 ZINC001203292270 1135001615 /nfs/dbraw/zinc/00/16/15/1135001615.db2.gz IVKMIZYXIYTKBG-UHFFFAOYSA-N -1 0 328.299 3.931 20 0 EHADRM Cc1cncc2cccc([N-]S(=O)(=O)c3cnc(Cl)c(C)c3)c12 ZINC001192572347 1135039131 /nfs/dbraw/zinc/03/91/31/1135039131.db2.gz UVDMUNSGZIIZFK-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM Cc1cnn(-c2ccc(C)cc2)c1NC(=O)c1c(F)ccc(F)c1[O-] ZINC001192694429 1135045384 /nfs/dbraw/zinc/04/53/84/1135045384.db2.gz XJCYSQBLWRYIQP-UHFFFAOYSA-N -1 0 343.333 3.725 20 0 EHADRM O=C(NCc1nc(-c2ccccc2)cs1)c1c(F)ccc(F)c1[O-] ZINC001192721207 1135052449 /nfs/dbraw/zinc/05/24/49/1135052449.db2.gz ZIYXJIZAEOATAN-UHFFFAOYSA-N -1 0 346.358 3.724 20 0 EHADRM O=C(Nc1ccccc1-c1ccncc1)c1ccc(F)c(F)c1[O-] ZINC001192811171 1135057955 /nfs/dbraw/zinc/05/79/55/1135057955.db2.gz PYCOLTSZLBASRS-UHFFFAOYSA-N -1 0 326.302 3.985 20 0 EHADRM O=C(NCc1nc(-c2ccccc2)cs1)c1ccc(F)c(F)c1[O-] ZINC001192811320 1135058168 /nfs/dbraw/zinc/05/81/68/1135058168.db2.gz PMRINHXTFCGJPO-UHFFFAOYSA-N -1 0 346.358 3.724 20 0 EHADRM O=C(Nc1ccc(-c2cccnc2)cc1)c1cc(F)c([O-])cc1F ZINC001192872264 1135062419 /nfs/dbraw/zinc/06/24/19/1135062419.db2.gz KCZMXMFOWRWXCU-UHFFFAOYSA-N -1 0 326.302 3.985 20 0 EHADRM Cc1ccccc1CC(C)(C)CNC(=O)c1cc(F)c([O-])cc1F ZINC001192887946 1135068368 /nfs/dbraw/zinc/06/83/68/1135068368.db2.gz QLQNLALIOWWXOF-UHFFFAOYSA-N -1 0 333.378 3.978 20 0 EHADRM CC(C)(C)OC(=O)c1ccccc1NC(=O)c1cc(F)c([O-])cc1F ZINC001192879541 1135074407 /nfs/dbraw/zinc/07/44/07/1135074407.db2.gz HUVBATQIMMQYRS-UHFFFAOYSA-N -1 0 349.333 3.878 20 0 EHADRM CCCC[C@H](C)NC(=O)Nc1cc(Br)cc(F)c1[O-] ZINC001193065045 1135093415 /nfs/dbraw/zinc/09/34/15/1135093415.db2.gz OPKHAFIBBYNTBU-QMMMGPOBSA-N -1 0 333.201 3.994 20 0 EHADRM O=C(Nc1cnc(C2CC2)s1)c1cc(Cl)nc(Cl)c1[O-] ZINC001193082504 1135097114 /nfs/dbraw/zinc/09/71/14/1135097114.db2.gz KBYFNCSDEUKDFS-UHFFFAOYSA-N -1 0 330.196 3.680 20 0 EHADRM O=C(Nc1nc2c(c(=O)[nH]1)CCCC2)c1ccc(C2=CCCC2)cc1 ZINC001129759500 1135152245 /nfs/dbraw/zinc/15/22/45/1135152245.db2.gz PDLJERLSZVIXGC-UHFFFAOYSA-N -1 0 335.407 3.881 20 0 EHADRM COc1ccc(-n2cccc2)c(NC(=O)c2ccc(F)c([O-])c2F)c1 ZINC001193785193 1135180611 /nfs/dbraw/zinc/18/06/11/1135180611.db2.gz XRKRSOXQOZNHOC-UHFFFAOYSA-N -1 0 344.317 3.722 20 0 EHADRM CNc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)c([O-])c1F ZINC001193784659 1135180631 /nfs/dbraw/zinc/18/06/31/1135180631.db2.gz QCXSYYDKTRQFPZ-UHFFFAOYSA-N -1 0 346.255 3.983 20 0 EHADRM O=C(Nc1cccc(C(F)(F)F)c1O)c1ccc(F)c([O-])c1F ZINC001193788814 1135181025 /nfs/dbraw/zinc/18/10/25/1135181025.db2.gz GGIOHUHUUFGXFF-UHFFFAOYSA-N -1 0 333.212 3.647 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2ccc(C)c3ccccc32)cn1 ZINC001193833956 1135190901 /nfs/dbraw/zinc/19/09/01/1135190901.db2.gz JBXUNAFQTJTRJC-UHFFFAOYSA-N -1 0 326.421 3.906 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cn(CC(C)C)cn2)c2ccccc12 ZINC001193833274 1135191077 /nfs/dbraw/zinc/19/10/77/1135191077.db2.gz ARGSCIRZBNDHPE-UHFFFAOYSA-N -1 0 343.452 3.802 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2CO)c2ccccc12 ZINC001193862996 1135197586 /nfs/dbraw/zinc/19/75/86/1135197586.db2.gz GOYYXFCUGVUEQT-UHFFFAOYSA-N -1 0 345.395 3.580 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2cccc3c2COC3)c2ccccc12 ZINC001193863919 1135197951 /nfs/dbraw/zinc/19/79/51/1135197951.db2.gz LCVSCRDIFXVMOI-UHFFFAOYSA-N -1 0 339.416 3.979 20 0 EHADRM Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(C)c3ccccc32)c1 ZINC001193865281 1135198378 /nfs/dbraw/zinc/19/83/78/1135198378.db2.gz XAZMGFRSIQTZLF-UHFFFAOYSA-N -1 0 327.405 3.963 20 0 EHADRM CCCC[C@@H](CC)COC(=O)Nc1cccc(C(=O)N(C)C)c1[O-] ZINC001193968707 1135207814 /nfs/dbraw/zinc/20/78/14/1135207814.db2.gz PVIWWMIDPASJKV-CYBMUJFWSA-N -1 0 336.432 3.859 20 0 EHADRM COCCCO[N-]C(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000805040912 1135227737 /nfs/dbraw/zinc/22/77/37/1135227737.db2.gz FEABTJZWBIPHSL-UHFFFAOYSA-N -1 0 345.361 3.602 20 0 EHADRM Cc1cnc(C)c([N-]S(=O)(=O)c2ccc3c(Cl)cccc3c2)n1 ZINC001194216391 1135245511 /nfs/dbraw/zinc/24/55/11/1135245511.db2.gz YJDRCVUTZUUNMQ-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM O=S(=O)([N-]c1ccccc1C1CC1)c1ccc(C(F)(F)F)cn1 ZINC001194261755 1135251357 /nfs/dbraw/zinc/25/13/57/1135251357.db2.gz VHAPHQCMHRIKMW-UHFFFAOYSA-N -1 0 342.342 3.779 20 0 EHADRM Cc1ncc([N-]S(=O)(=O)c2cccc3c(Cl)cccc32)c(C)n1 ZINC001194414160 1135266628 /nfs/dbraw/zinc/26/66/28/1135266628.db2.gz WNRXISUURAFLTA-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ncccc2C(F)(F)F)cc1C ZINC001194524485 1135281015 /nfs/dbraw/zinc/28/10/15/1135281015.db2.gz QDCADWYATZHVDZ-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM Cc1ccc2cccnc2c1[N-]S(=O)(=O)c1c(C)cccc1C ZINC001194633708 1135294839 /nfs/dbraw/zinc/29/48/39/1135294839.db2.gz FEZPFZGGNOUNJV-UHFFFAOYSA-N -1 0 326.421 3.961 20 0 EHADRM O=C(Nc1ccc(F)c(F)c1F)c1scnc1Br ZINC000775611664 1135327908 /nfs/dbraw/zinc/32/79/08/1135327908.db2.gz WCZPRBNQFZURIP-UHFFFAOYSA-N -1 0 337.120 3.575 20 0 EHADRM Cc1cnn(C2CCC2)c1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC001195120363 1135372606 /nfs/dbraw/zinc/37/26/06/1135372606.db2.gz GPNCNSZGODZBAW-UHFFFAOYSA-N -1 0 333.457 3.841 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cc(-c3ccco3)no2)c1 ZINC001195120794 1135373475 /nfs/dbraw/zinc/37/34/75/1135373475.db2.gz VSUPTUGNABXAEW-UHFFFAOYSA-N -1 0 332.381 3.859 20 0 EHADRM O=C(Nc1ccc(N2CCCCC2)nc1)c1cccc(Cl)c1[O-] ZINC000775648035 1135396640 /nfs/dbraw/zinc/39/66/40/1135396640.db2.gz NFIHXRZFEFEFPP-UHFFFAOYSA-N -1 0 331.803 3.683 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cccc2ncccc12 ZINC001195268094 1135402493 /nfs/dbraw/zinc/40/24/93/1135402493.db2.gz OIHMPRNXKXOKKG-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM CC(=O)c1ccsc1[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC001195278130 1135404222 /nfs/dbraw/zinc/40/42/22/1135404222.db2.gz MKKYFPCPVNBGQN-UHFFFAOYSA-N -1 0 329.830 3.713 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cnc2cccc(O)c2c1 ZINC001195279287 1135404604 /nfs/dbraw/zinc/40/46/04/1135404604.db2.gz XAVUPPFLSPHQKP-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1c[nH]nc1[C@@H]1CCCO1 ZINC000867118204 1135425403 /nfs/dbraw/zinc/42/54/03/1135425403.db2.gz MSLHPTNFNYICAU-NSHDSACASA-N -1 0 342.182 3.526 20 0 EHADRM Cn1cc(-c2cccc(C(=O)Nc3cc(Cl)c([O-])cc3F)c2)cn1 ZINC000805258711 1135426932 /nfs/dbraw/zinc/42/69/32/1135426932.db2.gz LKKYBQDBVYATDH-UHFFFAOYSA-N -1 0 345.761 3.838 20 0 EHADRM O=C(Nc1nccn1Cc1ccccc1)c1cccc(Cl)c1[O-] ZINC000775668539 1135454562 /nfs/dbraw/zinc/45/45/62/1135454562.db2.gz DTXJRQYFGHDFPX-UHFFFAOYSA-N -1 0 327.771 3.543 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)cs2)cn1 ZINC001195695077 1135456469 /nfs/dbraw/zinc/45/64/69/1135456469.db2.gz LMNCKURNVYVVJC-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM COC(=O)N(C)c1ccc(NC(=O)c2cccc(Cl)c2[O-])cc1 ZINC000775673698 1135480847 /nfs/dbraw/zinc/48/08/47/1135480847.db2.gz UBCODKJXNPNNKI-UHFFFAOYSA-N -1 0 334.759 3.501 20 0 EHADRM O=S(=O)([N-]c1ccccc1C(F)(F)F)c1ccc(Cl)cn1 ZINC001196197682 1135529800 /nfs/dbraw/zinc/52/98/00/1135529800.db2.gz RNCRWGLDZOMYHS-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM CC(C)(C)c1ccc(O)c([N-]S(=O)(=O)c2ccc(Cl)cn2)c1 ZINC001196245282 1135539771 /nfs/dbraw/zinc/53/97/71/1135539771.db2.gz OQVIFSKQCKYJRV-UHFFFAOYSA-N -1 0 340.832 3.539 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc3ccccc3cc2O)c(F)c1 ZINC001196382568 1135552772 /nfs/dbraw/zinc/55/27/72/1135552772.db2.gz GUWHUSUUPRTFPC-UHFFFAOYSA-N -1 0 331.368 3.794 20 0 EHADRM O=C(Nc1ccc(C2CCOCC2)cc1)c1cc(Cl)ncc1[O-] ZINC001196394994 1135554705 /nfs/dbraw/zinc/55/47/05/1135554705.db2.gz AVNHGGZQXKXLAS-UHFFFAOYSA-N -1 0 332.787 3.587 20 0 EHADRM O=S(=O)([N-]c1nonc1C1CC1)c1ccc2cc(Cl)ccc2c1 ZINC001196417371 1135560860 /nfs/dbraw/zinc/56/08/60/1135560860.db2.gz VWHCVIDNTNHXOM-UHFFFAOYSA-N -1 0 349.799 3.554 20 0 EHADRM CC(C)(C)Cc1cc(NC(=S)Nc2ccc(C(=O)[O-])cc2)on1 ZINC001197075656 1135647434 /nfs/dbraw/zinc/64/74/34/1135647434.db2.gz RURIOILIGWNMEM-UHFFFAOYSA-N -1 0 333.413 3.770 20 0 EHADRM C[C@H]1CN(C)c2ccccc2N(C(=O)c2cccc(Cl)c2[O-])C1 ZINC000775756715 1135648288 /nfs/dbraw/zinc/64/82/88/1135648288.db2.gz QFTJQRUXEDWXBD-LBPRGKRZSA-N -1 0 330.815 3.778 20 0 EHADRM COc1ccccc1[C@H](C)N(C)C(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197102824 1135650036 /nfs/dbraw/zinc/65/00/36/1135650036.db2.gz FFUTVKNNUAPZKN-LBPRGKRZSA-N -1 0 344.436 3.783 20 0 EHADRM COc1cc(NC(=S)Nc2ccc(C(=O)[O-])cc2)ccc1SC ZINC001197106576 1135650270 /nfs/dbraw/zinc/65/02/70/1135650270.db2.gz CMKATAXCUWKCBK-UHFFFAOYSA-N -1 0 348.449 3.924 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2ccc3sncc3c2)cc1 ZINC001197112992 1135650801 /nfs/dbraw/zinc/65/08/01/1135650801.db2.gz YYEYFUSBMRJBQU-UHFFFAOYSA-N -1 0 329.406 3.803 20 0 EHADRM Cc1cc(Cl)c(NC(=S)Nc2ccc(C(=O)[O-])cc2)cc1O ZINC001197115763 1135651337 /nfs/dbraw/zinc/65/13/37/1135651337.db2.gz OJCHNCWJRAOGSC-UHFFFAOYSA-N -1 0 336.800 3.861 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2ccc(C(=O)C3CC3)cc2)cc1 ZINC001197119151 1135651416 /nfs/dbraw/zinc/65/14/16/1135651416.db2.gz CCNHYELKYBTMJU-UHFFFAOYSA-N -1 0 340.404 3.786 20 0 EHADRM CCN(C)c1ccc(NC(=S)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001197120176 1135652185 /nfs/dbraw/zinc/65/21/85/1135652185.db2.gz AXUJBBAZAWQFCJ-UHFFFAOYSA-N -1 0 329.425 3.650 20 0 EHADRM C[C@@H](NC(=O)c1cccc(Cl)c1[O-])c1cccc(-n2cccn2)c1 ZINC000775762722 1135657538 /nfs/dbraw/zinc/65/75/38/1135657538.db2.gz IJHLEVYRRBDIFO-GFCCVEGCSA-N -1 0 341.798 3.722 20 0 EHADRM O=S(=O)(Cc1cc(Cl)ccc1Cl)[N-][C@@H]1CCCC1(F)F ZINC001197549430 1135704494 /nfs/dbraw/zinc/70/44/94/1135704494.db2.gz PRAFPHFZGPXGER-LLVKDONJSA-N -1 0 344.210 3.601 20 0 EHADRM CCOc1cncc(C(=O)[N-]c2c(SC)cc(C)nc2SC)c1 ZINC001197606296 1135714928 /nfs/dbraw/zinc/71/49/28/1135714928.db2.gz HVWBFTJLRJYMDA-UHFFFAOYSA-N -1 0 349.481 3.880 20 0 EHADRM O=S(=O)(Cc1ccc(Cl)c(F)c1)[N-]c1cnc(C2CC2)s1 ZINC001197650066 1135715975 /nfs/dbraw/zinc/71/59/75/1135715975.db2.gz ZJSNLUXDXYEXIY-UHFFFAOYSA-N -1 0 346.836 3.755 20 0 EHADRM O=C(OCc1cnn(-c2ccccc2)c1)c1ccc([O-])c(Cl)c1 ZINC000808777236 1135735470 /nfs/dbraw/zinc/73/54/70/1135735470.db2.gz IHJIJQMPMIRRNE-UHFFFAOYSA-N -1 0 328.755 3.588 20 0 EHADRM O=C(Nc1nnc(/C=C\c2ccco2)s1)c1cccc(Cl)c1[O-] ZINC000775803896 1135758161 /nfs/dbraw/zinc/75/81/61/1135758161.db2.gz DGEFEGDEHCWFPL-SREVYHEPSA-N -1 0 347.783 3.913 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2cc(F)c(Cl)cc2Cl)c1 ZINC001198004390 1135760657 /nfs/dbraw/zinc/76/06/57/1135760657.db2.gz FUAZFEOGHYVSJX-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM Cc1c(Cl)cc(NC(=O)c2ccncc2N(C)C)c([O-])c1Cl ZINC001198170369 1135781314 /nfs/dbraw/zinc/78/13/14/1135781314.db2.gz WMRAVGYAYDYVAJ-UHFFFAOYSA-N -1 0 340.210 3.721 20 0 EHADRM Cc1ccc2c(cccc2[N-]S(=O)(=O)c2cccc(Cl)n2)c1 ZINC001198241336 1135791136 /nfs/dbraw/zinc/79/11/36/1135791136.db2.gz CTMZYNPDKIVNPQ-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2F)cn1 ZINC001198313779 1135799026 /nfs/dbraw/zinc/79/90/26/1135799026.db2.gz CCDHEVUQXVLNLC-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)CCC2)c1cnc(Cl)c(Cl)c1 ZINC000081668945 1135806955 /nfs/dbraw/zinc/80/69/55/1135806955.db2.gz BEIWBEZIIKIXIO-UHFFFAOYSA-N -1 0 343.235 3.678 20 0 EHADRM CCOC(=O)c1cc(C)sc1Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203316633 1135829677 /nfs/dbraw/zinc/82/96/77/1135829677.db2.gz RGZNATGLOJPPTF-UHFFFAOYSA-N -1 0 341.335 3.953 20 0 EHADRM COc1cc(NC(=S)Nc2ccc(N(C)C)cc2)ccc1[S-] ZINC001198771044 1135855651 /nfs/dbraw/zinc/85/56/51/1135855651.db2.gz UTXATTBVTOOGPM-UHFFFAOYSA-N -1 0 333.482 3.859 20 0 EHADRM O=S(=O)([N-]c1cnc(Cl)c(Cl)c1)c1ccc2occc2c1 ZINC001198830580 1135857605 /nfs/dbraw/zinc/85/76/05/1135857605.db2.gz LNYMCBNTZMWQOF-UHFFFAOYSA-N -1 0 343.191 3.935 20 0 EHADRM O=S(=O)([N-]c1cc(-c2ccccc2)no1)c1ccc2occc2c1 ZINC001198819311 1135859227 /nfs/dbraw/zinc/85/92/27/1135859227.db2.gz ZZSHVJQLUUZTAM-UHFFFAOYSA-N -1 0 340.360 3.889 20 0 EHADRM CCc1ccc(OC)c([N-]S(=O)(=O)c2ccc3occc3c2)c1 ZINC001198867902 1135864513 /nfs/dbraw/zinc/86/45/13/1135864513.db2.gz DNZWFKUAQFAJHL-UHFFFAOYSA-N -1 0 331.393 3.805 20 0 EHADRM O=C([O-])c1c(F)cc(Nc2cc(Br)ncc2F)cc1F ZINC001203322059 1135912903 /nfs/dbraw/zinc/91/29/03/1135912903.db2.gz PXWSRHCLANUNOG-UHFFFAOYSA-N -1 0 347.090 3.703 20 0 EHADRM CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)c1cccc(Cl)c1[O-] ZINC000776011397 1135919815 /nfs/dbraw/zinc/91/98/15/1135919815.db2.gz VBHIBUBUIVOMSJ-QLJPJBMISA-N -1 0 337.778 3.691 20 0 EHADRM Cc1cc(C(F)(F)F)[nH]c(=O)c1C(=O)Nc1ccccc1[S-] ZINC001199785742 1135929672 /nfs/dbraw/zinc/92/96/72/1135929672.db2.gz VRUGRSZDCABCNN-UHFFFAOYSA-N -1 0 328.315 3.655 20 0 EHADRM CCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000776074718 1135949128 /nfs/dbraw/zinc/94/91/28/1135949128.db2.gz MZMJJNDXJHUGRE-CQSZACIVSA-N -1 0 337.485 3.587 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)CCCc1ccc2ccccc2c1 ZINC000776089308 1135953025 /nfs/dbraw/zinc/95/30/25/1135953025.db2.gz TZZOYRRJQMRPTO-UHFFFAOYSA-N -1 0 347.480 3.797 20 0 EHADRM CCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000776089607 1135953185 /nfs/dbraw/zinc/95/31/85/1135953185.db2.gz WHQODLQGVMWQFI-CQSZACIVSA-N -1 0 348.468 3.646 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)nc1 ZINC001201244747 1135998698 /nfs/dbraw/zinc/99/86/98/1135998698.db2.gz QTDLYATVBHZDCX-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM O=S(=O)([N-][C@H]1CCCC1(F)F)c1cc(Cl)c(Cl)cc1F ZINC001201281009 1136000195 /nfs/dbraw/zinc/00/01/95/1136000195.db2.gz VUBVWVIZDUERIY-JTQLQIEISA-N -1 0 348.173 3.599 20 0 EHADRM C[C@H](NS(=O)(=O)c1cc(Cl)c(Cl)cc1F)C(C)(C)C ZINC001201275586 1136003203 /nfs/dbraw/zinc/00/32/03/1136003203.db2.gz BFBXOCBYNDAJFP-ZETCQYMHSA-N -1 0 328.236 3.845 20 0 EHADRM O=C(N[C@@H]1CC2(CCC2)Oc2ccccc21)c1ccc(O)cc1F ZINC000776171949 1136020763 /nfs/dbraw/zinc/02/07/63/1136020763.db2.gz XRWMPQTULLPQLT-MRXNPFEDSA-N -1 0 327.355 3.708 20 0 EHADRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1cccc(C2CCC2)n1 ZINC001201735532 1136062575 /nfs/dbraw/zinc/06/25/75/1136062575.db2.gz HLBBKXGMVFNSJZ-UHFFFAOYSA-N -1 0 343.861 3.568 20 0 EHADRM O=C(Nc1ccccc1)Nc1cccc2cc(S(=O)(=O)[O-])ccc21 ZINC001201955763 1136078269 /nfs/dbraw/zinc/07/82/69/1136078269.db2.gz JTURDCUQDPQXOO-UHFFFAOYSA-N -1 0 342.376 3.731 20 0 EHADRM COc1cccc(NC(=O)Nc2c(C)c(=O)[n-]n2-c2ccccc2)c1 ZINC001202287071 1136123430 /nfs/dbraw/zinc/12/34/30/1136123430.db2.gz ZWOLJWCNJCZGMR-UHFFFAOYSA-N -1 0 338.367 3.539 20 0 EHADRM CCN(c1ccc([N-]S(=O)(=O)c2cc(C)oc2C)cc1)C(C)C ZINC000776300222 1136149556 /nfs/dbraw/zinc/14/95/56/1136149556.db2.gz FFCODIPPKVVLDL-UHFFFAOYSA-N -1 0 336.457 3.932 20 0 EHADRM Cc1cc(C(C)(C)C(=O)[N-]OC2CCC2)ccc1Br ZINC000812788337 1136247048 /nfs/dbraw/zinc/24/70/48/1136247048.db2.gz LKXVAJUNLNOWFP-UHFFFAOYSA-N -1 0 326.234 3.635 20 0 EHADRM CCC[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1F)C(C)C ZINC000828133116 1136195404 /nfs/dbraw/zinc/19/54/04/1136195404.db2.gz NDCUXKQXTQXXLW-DOMZBBRYSA-N -1 0 327.371 3.669 20 0 EHADRM CC(C)OCCONC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000812803820 1136254245 /nfs/dbraw/zinc/25/42/45/1136254245.db2.gz XUUMDMIRTICIGF-UHFFFAOYSA-N -1 0 349.814 3.799 20 0 EHADRM COc1cccc(CC2(C(=O)[N-]O[C@H]3CCCCO3)CCCCC2)c1 ZINC000813432352 1136331468 /nfs/dbraw/zinc/33/14/68/1136331468.db2.gz WEFQNVMKAUQJSV-SFHVURJKSA-N -1 0 347.455 3.763 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@H](O)c1ccc(Cl)cc1F ZINC000813612090 1136351244 /nfs/dbraw/zinc/35/12/44/1136351244.db2.gz MUMIVULQDZYFAK-CYBMUJFWSA-N -1 0 348.132 3.649 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@H](O)c1ccc(Cl)cc1 ZINC000813612446 1136351286 /nfs/dbraw/zinc/35/12/86/1136351286.db2.gz XUKGAUJOZNKYLJ-CYBMUJFWSA-N -1 0 330.142 3.510 20 0 EHADRM Cc1cc(C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)ccc1Cl ZINC000216702730 1136377957 /nfs/dbraw/zinc/37/79/57/1136377957.db2.gz HMGYCUXYYHIAAG-CVEARBPZSA-N -1 0 343.810 3.589 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1CCCC2(CC2)C1)c1ccc(F)cc1F ZINC000851600270 1136395820 /nfs/dbraw/zinc/39/58/20/1136395820.db2.gz LCNQHTSQFUMULK-NHYWBVRUSA-N -1 0 337.366 3.567 20 0 EHADRM CC1(c2ccccc2)CCN(C(=O)c2ccc(/C=C/C(=O)[O-])o2)CC1 ZINC000851602970 1136395927 /nfs/dbraw/zinc/39/59/27/1136395927.db2.gz FMTCQUIYWVEYPS-CSKARUKUSA-N -1 0 339.391 3.571 20 0 EHADRM CC1(C)C[C@H](c2ccccc2)N(C(=O)c2ccc(/C=C\C(=O)[O-])o2)C1 ZINC000851609552 1136396146 /nfs/dbraw/zinc/39/61/46/1136396146.db2.gz WNARGNVLSVQNQO-HGPCXVNDSA-N -1 0 339.391 3.991 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)c(C)o1 ZINC000776566392 1136432389 /nfs/dbraw/zinc/43/23/89/1136432389.db2.gz GLDFJAFMOIJQGD-SMDDNHRTSA-N -1 0 341.473 3.554 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)cc1 ZINC000776602663 1136466006 /nfs/dbraw/zinc/46/60/06/1136466006.db2.gz WDKRDAQBRLNDMT-UHFFFAOYSA-N -1 0 339.391 3.765 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(c2ccc(C(F)(F)F)c(Cl)n2)C1 ZINC000852909956 1136493095 /nfs/dbraw/zinc/49/30/95/1136493095.db2.gz HZUZUKUKBBNTKE-SECBINFHSA-N -1 0 336.741 3.835 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1c1ccc2ccc(Br)cc2n1 ZINC000852912547 1136493184 /nfs/dbraw/zinc/49/31/84/1136493184.db2.gz SXCUJCBOUXQKOR-ZYHUDNBSSA-N -1 0 349.228 3.687 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]2c2ccccc2)C1 ZINC000852942909 1136493759 /nfs/dbraw/zinc/49/37/59/1136493759.db2.gz NZOXCWZLXZXDOT-SZMVWBNQSA-N -1 0 329.440 3.674 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000852948287 1136493776 /nfs/dbraw/zinc/49/37/76/1136493776.db2.gz WUUHNOLGRVFMBV-QGZVFWFLSA-N -1 0 342.439 3.621 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)cc1 ZINC000776630963 1136493785 /nfs/dbraw/zinc/49/37/85/1136493785.db2.gz CMJAEOLRNCORAR-WTKLMOFPSA-N -1 0 339.391 3.925 20 0 EHADRM Cc1cc(SC(C)(C)C)ccc1NC(=O)NCC1(C(=O)[O-])CC1 ZINC000853091996 1136508012 /nfs/dbraw/zinc/50/80/12/1136508012.db2.gz HLRGHCVKFGETHI-UHFFFAOYSA-N -1 0 336.457 3.872 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)c2cccc(Cl)c2[O-])c(OC)c1 ZINC001135121974 1136618817 /nfs/dbraw/zinc/61/88/17/1136618817.db2.gz BUEJDWBQVGIITR-SNVBAGLBSA-N -1 0 335.787 3.554 20 0 EHADRM O=C([N-]Oc1ccccc1)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000854537688 1136625059 /nfs/dbraw/zinc/62/50/59/1136625059.db2.gz YVYIIUOZQMTJIO-MRXNPFEDSA-N -1 0 339.439 3.603 20 0 EHADRM Cn1[n-]c(C(=O)Nc2cc(F)c(SC(C)(C)C)c(F)c2)cc1=O ZINC000854761731 1136642790 /nfs/dbraw/zinc/64/27/90/1136642790.db2.gz QWNXIAKICZDHTL-UHFFFAOYSA-N -1 0 341.383 3.547 20 0 EHADRM CC[C@H](C)CCC(=O)[N-]S(=O)(=O)[C@H](c1ccccc1)C(C)C ZINC000816111969 1136677725 /nfs/dbraw/zinc/67/77/25/1136677725.db2.gz KRYFVIRENOPDNS-YOEHRIQHSA-N -1 0 325.474 3.656 20 0 EHADRM CN(C[C@@H]1CCc2ccccc21)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000856304889 1136774198 /nfs/dbraw/zinc/77/41/98/1136774198.db2.gz JVRJSAASJMDKLP-AWEZNQCLSA-N -1 0 338.432 3.919 20 0 EHADRM CN(Cc1nc2ccccc2s1)C(=O)c1ccc(Cl)c([O-])c1 ZINC001135812233 1136780194 /nfs/dbraw/zinc/78/01/94/1136780194.db2.gz DKQMMMVOTSQQHC-UHFFFAOYSA-N -1 0 332.812 3.928 20 0 EHADRM C[C@H](c1ccc(C(=O)N[C@H](CC(C)(C)C)C(=O)[O-])cc1)C(F)(F)F ZINC000856723037 1136802746 /nfs/dbraw/zinc/80/27/46/1136802746.db2.gz VJJBJMHRLQPKOO-ZWNOBZJWSA-N -1 0 345.361 3.972 20 0 EHADRM Cc1n[nH]c(C(=O)N[C@H](c2ccc(CC(C)C)cc2)C(C)C)c1[O-] ZINC001136136822 1136875393 /nfs/dbraw/zinc/87/53/93/1136875393.db2.gz VQTYXVRAZSZBJH-INIZCTEOSA-N -1 0 329.444 3.749 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N[C@H]2CCCC[C@@H]2CC)n1 ZINC001136190707 1136916767 /nfs/dbraw/zinc/91/67/67/1136916767.db2.gz NBGWSLPMUHPQPS-HOCLYGCPSA-N -1 0 341.455 3.839 20 0 EHADRM Cc1ccc2c(n1)[n-]cc(C(=O)Nc1cccc(-c3ncco3)c1)c2=O ZINC000339009650 1136926850 /nfs/dbraw/zinc/92/68/50/1136926850.db2.gz UFXPWSFAMQENNM-UHFFFAOYSA-N -1 0 346.346 3.551 20 0 EHADRM CCOc1cc(F)ccc1NC(=O)c1ncc2ccccc2c1[O-] ZINC001136283308 1136968995 /nfs/dbraw/zinc/96/89/95/1136968995.db2.gz VJJCZCTVADFRCI-UHFFFAOYSA-N -1 0 326.327 3.731 20 0 EHADRM CC(C)(C(=O)[N-]Oc1ccccc1)c1cccc(Br)c1 ZINC000820043189 1136974681 /nfs/dbraw/zinc/97/46/81/1136974681.db2.gz NVPUBBNQFSVIBO-UHFFFAOYSA-N -1 0 334.213 3.837 20 0 EHADRM C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)[N-]Oc1ccccc1 ZINC000820043198 1136974806 /nfs/dbraw/zinc/97/48/06/1136974806.db2.gz OESWOGRHLWJULU-LLVKDONJSA-N -1 0 325.286 3.583 20 0 EHADRM Cc1ccc(CCNC(=O)c2cccc(Br)c2[O-])c(C)c1 ZINC001136430235 1137020440 /nfs/dbraw/zinc/02/04/40/1137020440.db2.gz ICGRHYBFOBGVJH-UHFFFAOYSA-N -1 0 348.240 3.744 20 0 EHADRM CCCCC[C@H](NC(=O)Nc1cc(F)c(SC)c(F)c1)C(=O)[O-] ZINC000797747855 1137020708 /nfs/dbraw/zinc/02/07/08/1137020708.db2.gz ZDABNSSCBXMBJW-LBPRGKRZSA-N -1 0 346.399 3.842 20 0 EHADRM CCC[C@@H]1CN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)CCO1 ZINC000859787616 1137030458 /nfs/dbraw/zinc/03/04/58/1137030458.db2.gz LPSNSXLDEPNGEG-CQSZACIVSA-N -1 0 329.396 3.646 20 0 EHADRM O=C([N-]O[C@@H]1CCCCO1)/C(F)=C/c1ccc(C(F)(F)F)cc1 ZINC001136460287 1137031166 /nfs/dbraw/zinc/03/11/66/1137031166.db2.gz XRXPQVYIVAQUSA-KIWPFMIBSA-N -1 0 333.281 3.590 20 0 EHADRM C[C@@H]1CCCCN1C(=O)c1ccc(NCc2cc(C(=O)[O-])co2)cc1 ZINC000859799671 1137031200 /nfs/dbraw/zinc/03/12/00/1137031200.db2.gz SIZAWYUKWXZDLY-CYBMUJFWSA-N -1 0 342.395 3.605 20 0 EHADRM Cc1nn2c(nc(C)c2CNc2ccc([C@H](C)CC(=O)[O-])cc2)s1 ZINC000859810025 1137031690 /nfs/dbraw/zinc/03/16/90/1137031690.db2.gz CWRRSJSIJSPLPE-SNVBAGLBSA-N -1 0 344.440 3.598 20 0 EHADRM CN(C[C@H]1CC=CCC1)C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000821855808 1137040386 /nfs/dbraw/zinc/04/03/86/1137040386.db2.gz CPKIKCNRQOORIZ-AWEZNQCLSA-N -1 0 339.391 3.893 20 0 EHADRM Cc1ccc2cccc([N-]S(=O)(=O)c3cnc(Cl)c(C)c3)c2n1 ZINC000117229471 1137045475 /nfs/dbraw/zinc/04/54/75/1137045475.db2.gz ZDXRFJAWUNSAFA-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM CC[C@](C)(NC(=O)c1ccc2oc(=S)[n-]c2c1)c1nc(C)cs1 ZINC000828653887 1137054536 /nfs/dbraw/zinc/05/45/36/1137054536.db2.gz KMEGZXUSYCBSJB-INIZCTEOSA-N -1 0 347.465 3.937 20 0 EHADRM [O-]C(=NOCC1CCC1)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000822678794 1137069850 /nfs/dbraw/zinc/06/98/50/1137069850.db2.gz UJGMNNKKDMREAS-UHFFFAOYSA-N -1 0 338.820 3.712 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)COc2cccc3ccccc32)cc1 ZINC000013401817 1137080696 /nfs/dbraw/zinc/08/06/96/1137080696.db2.gz MEVUYGGUHVGSDC-JLHYYAGUSA-N -1 0 347.370 3.955 20 0 EHADRM O=C(Cc1csc(C2CCCC2)n1)Nc1[nH][nH]c2cc(=O)ccc1-2 ZINC000823081285 1137086419 /nfs/dbraw/zinc/08/64/19/1137086419.db2.gz IMAWRNCARQZTMR-UHFFFAOYSA-N -1 0 342.424 3.564 20 0 EHADRM CCC(CC)[C@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000823328540 1137095286 /nfs/dbraw/zinc/09/52/86/1137095286.db2.gz HVYXHPBPHAWPRD-ZUZCIYMTSA-N -1 0 327.371 3.669 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1)C1CC1 ZINC000823353246 1137095932 /nfs/dbraw/zinc/09/59/32/1137095932.db2.gz OXAFMXWHTILFJR-UGSOOPFHSA-N -1 0 325.408 3.908 20 0 EHADRM O=C(c1ccc(Cl)c([O-])c1)N1CCCC[C@H]1c1noc(C2CC2)n1 ZINC001136861945 1137133678 /nfs/dbraw/zinc/13/36/78/1137133678.db2.gz RMWFYLCMTDLVHY-ZDUSSCGKSA-N -1 0 347.802 3.673 20 0 EHADRM CCC[C@]1(C)CCCN(C(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)C1 ZINC000173462324 1137147750 /nfs/dbraw/zinc/14/77/50/1137147750.db2.gz LTAMXSZGRWMWSJ-HXUWFJFHSA-N -1 0 341.455 3.516 20 0 EHADRM CC(C)(NC(=O)c1nn(-c2ccccc2F)cc1[O-])C1CCCCC1 ZINC001143689492 1137189462 /nfs/dbraw/zinc/18/94/62/1137189462.db2.gz CUOFYJKAOSTBBR-UHFFFAOYSA-N -1 0 345.418 3.806 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)/C=C/c1ccccc1Cl)CC2 ZINC000204032076 1137191920 /nfs/dbraw/zinc/19/19/20/1137191920.db2.gz AQGLWQDAOGIMSS-BQYQJAHWSA-N -1 0 341.794 3.636 20 0 EHADRM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000844155164 1137200007 /nfs/dbraw/zinc/20/00/07/1137200007.db2.gz LUGHRPSRJQFOIF-PSOPSSQASA-N -1 0 339.382 3.669 20 0 EHADRM CCN(CC)Cc1csc(NC(=O)c2ccc([O-])c(Cl)c2)n1 ZINC000844132098 1137200392 /nfs/dbraw/zinc/20/03/92/1137200392.db2.gz RXQCKNOZGVPVNI-UHFFFAOYSA-N -1 0 339.848 3.596 20 0 EHADRM O=C([O-])c1nnc2ccccc2c1N1CCC(c2ccsc2)CC1 ZINC000844211954 1137204340 /nfs/dbraw/zinc/20/43/40/1137204340.db2.gz MEHJUNXSSRBNCM-UHFFFAOYSA-N -1 0 339.420 3.774 20 0 EHADRM O=C([O-])CCCC(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1 ZINC000844245206 1137204942 /nfs/dbraw/zinc/20/49/42/1137204942.db2.gz CNAUYWGPLSDBDE-QGZVFWFLSA-N -1 0 345.826 3.995 20 0 EHADRM CC(C)(CC(=O)N[C@@H](CC(=O)[O-])c1cccs1)c1ccc(F)cc1 ZINC000864100685 1137214981 /nfs/dbraw/zinc/21/49/81/1137214981.db2.gz VMPRWYMZGUTXHO-AWEZNQCLSA-N -1 0 349.427 3.887 20 0 EHADRM COc1ccc([C@@H]2CCCN2C(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000864101272 1137214987 /nfs/dbraw/zinc/21/49/87/1137214987.db2.gz QRDKNTGABAKQCO-SFHVURJKSA-N -1 0 339.391 3.679 20 0 EHADRM CCc1ccc(CN(C(=O)/C=C\c2cc(C(=O)[O-])co2)C2CC2)cc1 ZINC000864102088 1137215121 /nfs/dbraw/zinc/21/51/21/1137215121.db2.gz DKCYCHCIEUAHHR-KTKRTIGZSA-N -1 0 339.391 3.745 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)/C=C\c2cc(C(=O)[O-])co2)cc1C ZINC000864105575 1137215230 /nfs/dbraw/zinc/21/52/30/1137215230.db2.gz GXVAZBKVBYRWTE-JTHGQSKGSA-N -1 0 339.391 3.972 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1C ZINC000864105649 1137215277 /nfs/dbraw/zinc/21/52/77/1137215277.db2.gz KHVCZKHVRGJLBO-VMSUTVGLSA-N -1 0 339.391 3.972 20 0 EHADRM CC(C)C[C@@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1cccs1 ZINC000864105519 1137215301 /nfs/dbraw/zinc/21/53/01/1137215301.db2.gz DOPLQSOHNMOELT-FWPCIQOSSA-N -1 0 333.409 3.956 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)/C=C\c1ccsc1C(F)(F)F ZINC000864118697 1137216026 /nfs/dbraw/zinc/21/60/26/1137216026.db2.gz LKIMVJHRUPPHDR-DSYXLKISSA-N -1 0 335.347 3.540 20 0 EHADRM C[C@H](Cc1cncc2ccccc21)C(=O)NCCCCCCC(=O)[O-] ZINC000864120434 1137216089 /nfs/dbraw/zinc/21/60/89/1137216089.db2.gz JAIOLPPCQRLIBO-OAHLLOKOSA-N -1 0 342.439 3.565 20 0 EHADRM CC1(C)Cc2ccc(C(=O)Nc3ccc(CCC(=O)[O-])cc3)cc2O1 ZINC000864122973 1137216239 /nfs/dbraw/zinc/21/62/39/1137216239.db2.gz YOLVLONXPPXMTO-UHFFFAOYSA-N -1 0 339.391 3.670 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000864132328 1137216595 /nfs/dbraw/zinc/21/65/95/1137216595.db2.gz PRGGMVLKYUNCPM-AWEZNQCLSA-N -1 0 344.238 3.782 20 0 EHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)/C=C\c1ccsc1C(F)(F)F ZINC000864140478 1137216911 /nfs/dbraw/zinc/21/69/11/1137216911.db2.gz AWFGNYJONMBOTE-ZRUQZJFASA-N -1 0 349.374 3.786 20 0 EHADRM CSCCCCCCC(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC000864151210 1137217447 /nfs/dbraw/zinc/21/74/47/1137217447.db2.gz NKWADQJZVCWWDQ-UHFFFAOYSA-N -1 0 335.469 3.583 20 0 EHADRM O=C([O-])C1CCC(C(=O)NCCCCCCc2ccccc2)CC1 ZINC000864161416 1137217670 /nfs/dbraw/zinc/21/76/70/1137217670.db2.gz RKSTYNGLORWNAB-UHFFFAOYSA-N -1 0 331.456 3.797 20 0 EHADRM Cc1ccc([C@@H]2CCN(C(=O)/C=C/c3cc(C(=O)[O-])co3)C2)c(C)c1 ZINC000864159424 1137217716 /nfs/dbraw/zinc/21/77/16/1137217716.db2.gz ZCIYFNPLEJUUGQ-CSPWOOARSA-N -1 0 339.391 3.624 20 0 EHADRM C[C@H](C1CC1)N(C(=O)c1ccc(/C=C/C(=O)[O-])o1)c1ccccc1 ZINC000864181151 1137218107 /nfs/dbraw/zinc/21/81/07/1137218107.db2.gz KSWWMMMNHXFSDH-RSKUSDAESA-N -1 0 325.364 3.823 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)c1cccc(Oc2ccccc2)c1)C1CC1 ZINC000864198390 1137218862 /nfs/dbraw/zinc/21/88/62/1137218862.db2.gz USXRUUVVLMKECX-FQEVSTJZSA-N -1 0 339.391 3.852 20 0 EHADRM Cc1nc(CNCc2cccc(OC(C)(C)C)c2)sc1C(=O)[O-] ZINC000864504784 1137230315 /nfs/dbraw/zinc/23/03/15/1137230315.db2.gz OAWFFPBLLLBANA-UHFFFAOYSA-N -1 0 334.441 3.617 20 0 EHADRM Cc1nc(C2CCN(c3nc4ccccc4o3)CC2)sc1C(=O)[O-] ZINC000864515337 1137231315 /nfs/dbraw/zinc/23/13/15/1137231315.db2.gz PBNBSGJOUDLCTN-UHFFFAOYSA-N -1 0 343.408 3.675 20 0 EHADRM O=C(Nc1nc(-c2ccccc2Cl)cs1)c1ncccc1[O-] ZINC001144055418 1137235427 /nfs/dbraw/zinc/23/54/27/1137235427.db2.gz LRMZBHQWTHZBTC-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM C[C@@H]1Cc2cc(-c3ccc([S@@](=O)CCCC(=O)[O-])cc3)ccc2O1 ZINC000864610556 1137236447 /nfs/dbraw/zinc/23/64/47/1137236447.db2.gz QGODNODDADJFBR-OZAJXLCCSA-N -1 0 344.432 3.649 20 0 EHADRM CCCC(C)(C)C(=O)[N-]S(=O)(=O)[C@@H](c1ccccc1)C(C)C ZINC000845577408 1137299273 /nfs/dbraw/zinc/29/92/73/1137299273.db2.gz MAWWFEKAZMXODG-OAHLLOKOSA-N -1 0 325.474 3.656 20 0 EHADRM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)/C=C/C1CCCCCC1 ZINC000846117225 1137334113 /nfs/dbraw/zinc/33/41/13/1137334113.db2.gz BGBRKBVTGIBGLD-JLHYYAGUSA-N -1 0 345.439 3.635 20 0 EHADRM COC(=O)[C@@H](Nc1ccccc1/C=C/C(=O)[O-])c1ccccc1Cl ZINC001171215327 1137338110 /nfs/dbraw/zinc/33/81/10/1137338110.db2.gz ZZZWLYBIPLJBTD-DVQDXYAYSA-N -1 0 345.782 3.764 20 0 EHADRM C[C@]1(c2cccc(F)c2)CCN(C(=O)c2cccc(Cl)c2[O-])C1 ZINC000846320508 1137346814 /nfs/dbraw/zinc/34/68/14/1137346814.db2.gz UXOWSLGILLUEHB-SFHVURJKSA-N -1 0 333.790 3.989 20 0 EHADRM Cc1ccc(C2(NC(=O)c3nn(-c4ccccc4)cc3[O-])CCC2)cc1 ZINC001144862050 1137354993 /nfs/dbraw/zinc/35/49/93/1137354993.db2.gz HXCRDDBQYMIVBO-UHFFFAOYSA-N -1 0 347.418 3.696 20 0 EHADRM Cc1cccc(NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1Cl ZINC000846797669 1137367725 /nfs/dbraw/zinc/36/77/25/1137367725.db2.gz WLIGTSPZHPTTBL-GRYCIOLGSA-N -1 0 338.835 3.905 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000846968071 1137380072 /nfs/dbraw/zinc/38/00/72/1137380072.db2.gz POSJXTVLXUHBLX-WQVCFCJDSA-N -1 0 337.847 3.591 20 0 EHADRM Cc1ccsc1C(=O)Nc1ccc(F)c(Br)c1[O-] ZINC001147113813 1137399719 /nfs/dbraw/zinc/39/97/19/1137399719.db2.gz SKRYDJHGMUSOKT-UHFFFAOYSA-N -1 0 330.178 3.916 20 0 EHADRM C[C@H]1CC(NC(=O)c2cccc(Br)c2[O-])C[C@H](C)C1 ZINC001147331543 1137404405 /nfs/dbraw/zinc/40/44/05/1137404405.db2.gz MATRSRRDIOLEQP-NXEZZACHSA-N -1 0 326.234 3.709 20 0 EHADRM CSc1cc(C)nc(SC)c1[N-]C(=O)c1cnc(Cl)nc1 ZINC001147718807 1137411505 /nfs/dbraw/zinc/41/15/05/1137411505.db2.gz QUTFDYZMINBRJB-UHFFFAOYSA-N -1 0 340.861 3.530 20 0 EHADRM CC[C@H](C(=O)NOCC1CCC1)c1ccc(Br)cc1 ZINC001148107531 1137418008 /nfs/dbraw/zinc/41/80/08/1137418008.db2.gz QRFCTPZLHZDAAY-AWEZNQCLSA-N -1 0 326.234 3.791 20 0 EHADRM COC(=O)c1ccccc1C(=O)Nc1c(Cl)ccc([O-])c1Cl ZINC001148235468 1137421085 /nfs/dbraw/zinc/42/10/85/1137421085.db2.gz TZLQZGMJTKDNEH-UHFFFAOYSA-N -1 0 340.162 3.738 20 0 EHADRM CCC(CC)(C(=O)[N-]OCCOC(C)C)c1ccc(Cl)cc1 ZINC000795065120 1137444929 /nfs/dbraw/zinc/44/49/29/1137444929.db2.gz LOZFSDAYTXMADD-UHFFFAOYSA-N -1 0 327.852 3.871 20 0 EHADRM CCCOc1cc(F)ccc1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000348198840 1137454044 /nfs/dbraw/zinc/45/40/44/1137454044.db2.gz GCCZKYUIHFUBRD-UHFFFAOYSA-N -1 0 340.354 3.708 20 0 EHADRM CC(C)[C@@H]1CCc2[n-]n(-c3ccnc(Br)c3)c(=O)c2C1 ZINC000871952504 1137563605 /nfs/dbraw/zinc/56/36/05/1137563605.db2.gz DEJBKYGBTNRTQI-PWSUYJOCSA-N -1 0 336.233 3.619 20 0 EHADRM CCc1[n-]n(-c2nc3cc(C(F)(F)F)ccc3s2)c(=O)c1F ZINC000871956441 1137563709 /nfs/dbraw/zinc/56/37/09/1137563709.db2.gz SKMHDXUKMICIQY-JTQLQIEISA-N -1 0 331.294 3.766 20 0 EHADRM O=c1c(F)c(C(F)(F)F)[n-]n1Cc1cc(Cl)ccc1Cl ZINC000871959260 1137563774 /nfs/dbraw/zinc/56/37/74/1137563774.db2.gz LLNDGHAHJYOTEN-QMMMGPOBSA-N -1 0 329.080 3.592 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(Cl)cc2F)noc1C(C)(C)C ZINC000872006961 1137564324 /nfs/dbraw/zinc/56/43/24/1137564324.db2.gz CWJKLOZQQJLVKA-UHFFFAOYSA-N -1 0 346.811 3.874 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)C1CC(c2ccc(F)cc2)C1 ZINC000872718107 1137583128 /nfs/dbraw/zinc/58/31/28/1137583128.db2.gz IIHRXIONKPPDKL-UHFFFAOYSA-N -1 0 335.419 3.861 20 0 EHADRM Cc1cc(NC(=O)Cc2csc(C3CCCC3)n2)ccc1C(=O)[O-] ZINC000872715078 1137583144 /nfs/dbraw/zinc/58/31/44/1137583144.db2.gz VRPWFXRMYHBHIC-UHFFFAOYSA-N -1 0 344.436 3.989 20 0 EHADRM Cc1ccc(NC(=O)C2(C(=O)[O-])CCOCC2)cc1-c1ccsc1 ZINC000872765244 1137583994 /nfs/dbraw/zinc/58/39/94/1137583994.db2.gz RVZJAWDIIBRQSD-UHFFFAOYSA-N -1 0 345.420 3.543 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)CC1CCC(C(F)(F)F)CC1)CC2 ZINC000872765961 1137584022 /nfs/dbraw/zinc/58/40/22/1137584022.db2.gz KWUIDYDQXLVGJZ-CULRUXPZSA-N -1 0 347.377 3.601 20 0 EHADRM CC(C)c1ccc(CCC(=O)N2CC[C@]3(C(=O)[O-])CCC[C@H]23)cc1 ZINC000872768211 1137584104 /nfs/dbraw/zinc/58/41/04/1137584104.db2.gz GGCVSNVLDXQMRK-FXAWDEMLSA-N -1 0 329.440 3.598 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H]1C(=O)Nc1ccc(-c2ccccc2)cc1F ZINC000872834066 1137585281 /nfs/dbraw/zinc/58/52/81/1137585281.db2.gz CDUGKUCBLXQQQZ-GJZGRUSLSA-N -1 0 327.355 3.932 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)Nc1cccc(OC2CCCC2)c1 ZINC000872836324 1137585301 /nfs/dbraw/zinc/58/53/01/1137585301.db2.gz ZGNJIOOIUGESLM-UHFFFAOYSA-N -1 0 337.441 3.543 20 0 EHADRM CC[C@@H](NC(=O)C(C)(C)SCC(=O)[O-])c1cccc(Cl)c1 ZINC000872893253 1137586146 /nfs/dbraw/zinc/58/61/46/1137586146.db2.gz IEDVYRUHCFKRHF-GFCCVEGCSA-N -1 0 329.849 3.504 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)C(C)(C)SCC(=O)[O-])c1C ZINC000872937381 1137586665 /nfs/dbraw/zinc/58/66/65/1137586665.db2.gz LXJDCCXVXAHKFD-OAHLLOKOSA-N -1 0 335.469 3.563 20 0 EHADRM CC[C@](C)(CC(=O)[O-])C(=O)N[C@H](C)c1nc2ccccc2n1C(C)C ZINC000872934594 1137586700 /nfs/dbraw/zinc/58/67/00/1137586700.db2.gz FCXPPYPKBBRFEZ-BFUOFWGJSA-N -1 0 345.443 3.685 20 0 EHADRM CN(C(=O)C1=C(C(=O)[O-])CCCC1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000872985590 1137587507 /nfs/dbraw/zinc/58/75/07/1137587507.db2.gz CGTKPSCKJUBCOR-PHIMTYICSA-N -1 0 333.350 3.521 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc3cc(Br)ccc3c2)CCC1 ZINC000124538807 1137600623 /nfs/dbraw/zinc/60/06/23/1137600623.db2.gz NLCNNHBBPOJZAS-UHFFFAOYSA-N -1 0 348.196 3.796 20 0 EHADRM O=C([O-])[C@H]1CCN(Cc2c(Cl)cncc2Cl)c2ccccc21 ZINC000873642110 1137605623 /nfs/dbraw/zinc/60/56/23/1137605623.db2.gz NDHSOAAYDUSZFB-NSHDSACASA-N -1 0 337.206 3.967 20 0 EHADRM O=C([N-]C1(c2csc(-c3ccccn3)n2)CCCC1)C(F)(F)F ZINC000829606677 1137608073 /nfs/dbraw/zinc/60/80/73/1137608073.db2.gz NFTQLDNAIDYLFP-UHFFFAOYSA-N -1 0 341.358 3.653 20 0 EHADRM Cc1ccc(NC(=O)C(=O)[N-]OCC2CCC2)cc1-c1ccsc1 ZINC000873948443 1137608318 /nfs/dbraw/zinc/60/83/18/1137608318.db2.gz POWPXNLHBXUUID-UHFFFAOYSA-N -1 0 344.436 3.510 20 0 EHADRM C[C@@]1(C(F)(F)F)CCN(C(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000874480630 1137615231 /nfs/dbraw/zinc/61/52/31/1137615231.db2.gz GYITWLWSPHZGJE-GFCCVEGCSA-N -1 0 325.689 3.599 20 0 EHADRM CC(C)[C@@H](CC(F)(F)F)NC(=O)NCc1ccc(O)c(Cl)c1 ZINC000875522617 1137634597 /nfs/dbraw/zinc/63/45/97/1137634597.db2.gz YSVQGDPZCXSKPY-LLVKDONJSA-N -1 0 338.757 3.822 20 0 EHADRM CCC(=O)c1cccc(NC(=O)c2ccc3[n-]c(=S)oc3c2)c1 ZINC000126685175 1137687957 /nfs/dbraw/zinc/68/79/57/1137687957.db2.gz OCBMAJXONYIBQA-UHFFFAOYSA-N -1 0 326.377 3.962 20 0 EHADRM CC[C@@H](CC(=O)[N-]S(=O)(=O)c1cc(C)cc(F)c1)c1ccccc1 ZINC000131005705 1137845066 /nfs/dbraw/zinc/84/50/66/1137845066.db2.gz CMZHRPOPKWYGIQ-AWEZNQCLSA-N -1 0 349.427 3.523 20 0 EHADRM CC(C)c1ccsc1C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1 ZINC000131669814 1137857923 /nfs/dbraw/zinc/85/79/23/1137857923.db2.gz VQUQLLKZRFBBIN-LBPRGKRZSA-N -1 0 337.466 3.692 20 0 EHADRM CC(C)c1nn(-c2ccccc2)c(Cl)c1C=Cc1nccc(=O)[nH]1 ZINC000131730089 1137859837 /nfs/dbraw/zinc/85/98/37/1137859837.db2.gz QYYXHUPCIXCRPQ-CMDGGOBGSA-N -1 0 340.814 3.903 20 0 EHADRM O=C(NCc1ccccc1)Nc1c(Cl)c(F)[n-]c(=O)c1Cl ZINC001202625636 1137891954 /nfs/dbraw/zinc/89/19/54/1137891954.db2.gz YWNJISHIFSSFKH-UHFFFAOYSA-N -1 0 330.146 3.555 20 0 EHADRM CC[C@@H]1CC[C@H](C)N1C(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000331447559 1137908811 /nfs/dbraw/zinc/90/88/11/1137908811.db2.gz WUPFFLBBYWFVCY-WDEREUQCSA-N -1 0 336.486 3.792 20 0 EHADRM C[C@H]1CCC(=O)[C@H](Sc2n[n-]c(=NC3CCCCC3)s2)C1 ZINC000331475399 1137909703 /nfs/dbraw/zinc/90/97/03/1137909703.db2.gz LGGRPNGLROGFCK-GXFFZTMASA-N -1 0 325.503 3.554 20 0 EHADRM CCCc1nc(=NC(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)s[n-]1 ZINC000331521134 1137911377 /nfs/dbraw/zinc/91/13/77/1137911377.db2.gz CXHRLQICSRDYFC-NWDGAFQWSA-N -1 0 334.445 3.511 20 0 EHADRM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]c2noc(C3CC3)n2)c1 ZINC000331541186 1137911843 /nfs/dbraw/zinc/91/18/43/1137911843.db2.gz QMRMOXPLKFEJRB-UHFFFAOYSA-N -1 0 341.820 3.525 20 0 EHADRM CCCc1nc(=NC(=O)N2C[C@H](C)C[C@@H]2c2cccc(F)c2)s[n-]1 ZINC000331627465 1137914969 /nfs/dbraw/zinc/91/49/69/1137914969.db2.gz YVHMUANHDQHFOR-BXUZGUMPSA-N -1 0 348.447 3.667 20 0 EHADRM CCc1ccc([C@@H]2CCCN2C(=O)c2cc(F)c(F)c([O-])c2F)o1 ZINC000331910274 1137925325 /nfs/dbraw/zinc/92/53/25/1137925325.db2.gz ZYWGIMXULZGQME-LBPRGKRZSA-N -1 0 339.313 3.942 20 0 EHADRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1C ZINC000332154101 1137933721 /nfs/dbraw/zinc/93/37/21/1137933721.db2.gz MHSBSLWPYVKSCU-ZDUSSCGKSA-N -1 0 347.484 3.842 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cn3c(n2)CCC[C@@H]3C)c(Cl)c1 ZINC000332202628 1137935483 /nfs/dbraw/zinc/93/54/83/1137935483.db2.gz SVOGQYLVWJYAJT-NSHDSACASA-N -1 0 339.848 3.543 20 0 EHADRM CC(C)O[C@H]1C[C@@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)C1(C)C ZINC000332477243 1137945061 /nfs/dbraw/zinc/94/50/61/1137945061.db2.gz UHSASEHOYPAJEU-OLZOCXBDSA-N -1 0 329.799 3.507 20 0 EHADRM O=c1nc(CN2CCCCC[C@@H]2c2ccco2)[n-]c2ccsc21 ZINC000121216323 1137956020 /nfs/dbraw/zinc/95/60/20/1137956020.db2.gz FCSMFEPOQQBVCF-CYBMUJFWSA-N -1 0 329.425 3.695 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N[C@@H](C2CCCCC2)C(F)(F)F)o1 ZINC000826544027 1138237758 /nfs/dbraw/zinc/23/77/58/1138237758.db2.gz LUVGWOGTTAHMQL-LEJCZOIISA-N -1 0 345.317 3.618 20 0 EHADRM Cc1cccc(NC(=O)N[C@@](C)(Cc2ccc(F)cc2)C(=O)[O-])c1C ZINC000887277192 1138254001 /nfs/dbraw/zinc/25/40/01/1138254001.db2.gz OIEPTNUYNCBEKJ-IBGZPJMESA-N -1 0 344.386 3.650 20 0 EHADRM CC1(C)CCc2c([n-]n(-c3cc(Cl)nc4ncccc34)c2=O)C1 ZINC000887297061 1138258320 /nfs/dbraw/zinc/25/83/20/1138258320.db2.gz SBTPHIROPSYEAC-JTQLQIEISA-N -1 0 328.803 3.812 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1sc(C)nc1CC(C)C ZINC000122527315 1138258971 /nfs/dbraw/zinc/25/89/71/1138258971.db2.gz IXOGVQQENMPDBD-UHFFFAOYSA-N -1 0 346.499 3.521 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)CCCc2ccc(C3CC3)cc2)C1 ZINC000887327105 1138267117 /nfs/dbraw/zinc/26/71/17/1138267117.db2.gz XCXYSVVPRBVKEF-KRWDZBQOSA-N -1 0 343.467 3.990 20 0 EHADRM CC[C@@H](C)c1cccc(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])c1 ZINC000887380955 1138293357 /nfs/dbraw/zinc/29/33/57/1138293357.db2.gz AVSPPINUNXTEOG-MFKMUULPSA-N -1 0 326.343 3.526 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1)C1CC1 ZINC000887382252 1138293976 /nfs/dbraw/zinc/29/39/76/1138293976.db2.gz BBVGOEBXQAQVST-QPUJVOFHSA-N -1 0 348.296 3.729 20 0 EHADRM CCOCc1cccc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000263823529 1138375188 /nfs/dbraw/zinc/37/51/88/1138375188.db2.gz QVTSJMNQUNDESW-HXUWFJFHSA-N -1 0 341.407 3.594 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1cnc2cnccc2c1 ZINC000337004340 1138446037 /nfs/dbraw/zinc/44/60/37/1138446037.db2.gz XAPSPVNFTCLHGN-UHFFFAOYSA-N -1 0 334.162 3.895 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccnn3C)ccc2C)s1 ZINC000337148026 1138479753 /nfs/dbraw/zinc/47/97/53/1138479753.db2.gz GTAURYMTJPPTRM-UHFFFAOYSA-N -1 0 347.465 3.566 20 0 EHADRM C[C@@H](CC(=O)N(CC(=O)[O-])c1ccccc1)Cc1cccc(F)c1 ZINC000337737129 1138655830 /nfs/dbraw/zinc/65/58/30/1138655830.db2.gz JFUZHRNKEVJEJD-CQSZACIVSA-N -1 0 329.371 3.512 20 0 EHADRM Cc1n[n-]c(=NCc2ccc(-c3ccccc3Br)cc2)o1 ZINC000337746232 1138657610 /nfs/dbraw/zinc/65/76/10/1138657610.db2.gz GNIXMWVIXNIYHF-UHFFFAOYSA-N -1 0 344.212 3.842 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)N(CC(=O)[O-])c1ccccc1 ZINC000337753820 1138659916 /nfs/dbraw/zinc/65/99/16/1138659916.db2.gz RHTBIBSTKONMAJ-INIZCTEOSA-N -1 0 329.421 3.675 20 0 EHADRM CO[C@H](C)c1nc(=NCc2ccc(-c3ccc(F)cc3)o2)s[n-]1 ZINC000337939671 1138702414 /nfs/dbraw/zinc/70/24/14/1138702414.db2.gz ZJHOWLWOIZTQLM-SNVBAGLBSA-N -1 0 333.388 3.679 20 0 EHADRM CO[C@H](C)c1nc(=NCc2ccc(-c3ccco3)cc2F)s[n-]1 ZINC000337944437 1138703986 /nfs/dbraw/zinc/70/39/86/1138703986.db2.gz HETMTWSVOIFJKD-SNVBAGLBSA-N -1 0 333.388 3.679 20 0 EHADRM O=C(N[C@@H]1CCCc2sccc21)c1cc(F)c(F)c([O-])c1F ZINC000137384209 1138850466 /nfs/dbraw/zinc/85/04/66/1138850466.db2.gz QIMAHFKCNSNDDG-SNVBAGLBSA-N -1 0 327.327 3.678 20 0 EHADRM C[C@@H](NS(=O)(=O)c1cc(Cl)sc1Cl)c1cncs1 ZINC000338430291 1138910790 /nfs/dbraw/zinc/91/07/90/1138910790.db2.gz HBABFCJAHQEGKO-RXMQYKEDSA-N -1 0 343.282 3.551 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2cc(F)ccc2Cl)on1 ZINC000175651631 1139506977 /nfs/dbraw/zinc/50/69/77/1139506977.db2.gz DRMWUFUPFQFUGM-UHFFFAOYSA-N -1 0 332.784 3.565 20 0 EHADRM O=C(Nc1cccc(COCC2CC2)c1)c1cc(F)c([O-])c(F)c1 ZINC000177115698 1139598165 /nfs/dbraw/zinc/59/81/65/1139598165.db2.gz RXUYZKFDZRMTPO-UHFFFAOYSA-N -1 0 333.334 3.849 20 0 EHADRM Cc1ccc([C@H]2CSCCN2C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000180011121 1139800437 /nfs/dbraw/zinc/80/04/37/1139800437.db2.gz JPBGEORKBWFGJL-YESZJQIVSA-N -1 0 347.480 3.503 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CC[C@H](Cc2ccccc2)C1 ZINC000180061594 1139805738 /nfs/dbraw/zinc/80/57/38/1139805738.db2.gz WQVWVXJVHRARCH-GFCCVEGCSA-N -1 0 335.325 3.514 20 0 EHADRM CCCCCCOc1ccc(C(=O)N2CCC(C)(C(=O)[O-])CC2)cc1 ZINC000777382642 1139958694 /nfs/dbraw/zinc/95/86/94/1139958694.db2.gz QOIUALKZIDEKAI-UHFFFAOYSA-N -1 0 347.455 3.973 20 0 EHADRM CC[C@@H]1CN(C(=O)c2cc(C(=O)[O-])co2)CC[C@H]1c1ccccc1 ZINC000183815110 1140059570 /nfs/dbraw/zinc/05/95/70/1140059570.db2.gz HRQBPKZEDYLIGJ-CZUORRHYSA-N -1 0 327.380 3.634 20 0 EHADRM Cc1csc([C@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)C2CC2)n1 ZINC000184445087 1140102786 /nfs/dbraw/zinc/10/27/86/1140102786.db2.gz MSJXSTPEOVTOQK-GFCCVEGCSA-N -1 0 340.807 3.831 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)C(F)(F)F ZINC000184482416 1140105099 /nfs/dbraw/zinc/10/50/99/1140105099.db2.gz IAZHPGBETFBGHD-MRVPVSSYSA-N -1 0 343.267 3.906 20 0 EHADRM Cc1noc([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c1C ZINC000186608209 1140212692 /nfs/dbraw/zinc/21/26/92/1140212692.db2.gz GKBCPODUIQRDDZ-UHFFFAOYSA-N -1 0 335.212 3.540 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)CCc2ccc(F)cc2)cc1)C(=O)[O-] ZINC000191438669 1140464369 /nfs/dbraw/zinc/46/43/69/1140464369.db2.gz PPHZXQDMXXIAMZ-CYBMUJFWSA-N -1 0 329.371 3.660 20 0 EHADRM O=S(=O)([N-]c1ccc(N2C[C@H]3CC[C@@H]2C3)cc1)c1cccs1 ZINC000191983187 1140497239 /nfs/dbraw/zinc/49/72/39/1140497239.db2.gz ZNWYPPKPQVQZDO-SWLSCSKDSA-N -1 0 334.466 3.538 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000194476147 1140611045 /nfs/dbraw/zinc/61/10/45/1140611045.db2.gz BTDCXKIFTBGBEU-XHVZSJERSA-N -1 0 344.238 3.542 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@@H](c2ccccc2)C2CC2)cc1C ZINC000194493167 1140611590 /nfs/dbraw/zinc/61/15/90/1140611590.db2.gz ADFKQFGJTCDRFD-RDPSFJRHSA-N -1 0 341.476 3.679 20 0 EHADRM CC(C)CCc1nnc([N-]S(=O)(=O)c2ccc3ccccc3c2)o1 ZINC000194877202 1140624809 /nfs/dbraw/zinc/62/48/09/1140624809.db2.gz LGFPSHLHJWHZSI-UHFFFAOYSA-N -1 0 345.424 3.612 20 0 EHADRM Cc1cnc([C@@H](C)NC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)s1 ZINC000267350895 1140781802 /nfs/dbraw/zinc/78/18/02/1140781802.db2.gz LWVFWAQKPDYXRB-SJKOYZFVSA-N -1 0 338.473 3.690 20 0 EHADRM CC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000096744327 1140789475 /nfs/dbraw/zinc/78/94/75/1140789475.db2.gz TYROYJLVKYVGAV-UHFFFAOYSA-N -1 0 341.791 3.791 20 0 EHADRM CCc1c(C(=O)Nc2ccc3[n-]c(=S)oc3c2)cnn1C(C)(C)C ZINC000269149401 1141072410 /nfs/dbraw/zinc/07/24/10/1141072410.db2.gz KVSFWWVNNLWYKU-UHFFFAOYSA-N -1 0 344.440 3.883 20 0 EHADRM C[C@@H](NC(=O)CC(C)(C)C(=O)[O-])[C@H](C)c1ccccc1C(F)(F)F ZINC000270891833 1141280593 /nfs/dbraw/zinc/28/05/93/1141280593.db2.gz PFOXROBLYWWVTM-WDEREUQCSA-N -1 0 345.361 3.815 20 0 EHADRM O=C(N[C@H]1CCSc2c(F)cccc21)c1s[n-]c(=O)c1Cl ZINC000339250247 1141540488 /nfs/dbraw/zinc/54/04/88/1141540488.db2.gz ZVTPBHPIUZSCKG-QMMMGPOBSA-N -1 0 344.820 3.608 20 0 EHADRM O=C(NCc1csc2ccccc12)c1cc(F)c(F)c([O-])c1F ZINC000348603544 1141555967 /nfs/dbraw/zinc/55/59/67/1141555967.db2.gz WAQYTTYPSWUPCJ-UHFFFAOYSA-N -1 0 337.322 3.954 20 0 EHADRM Cc1nc(C=Cc2ccc(C(C)(C)C)s2)[nH]c(=O)c1CC(=O)[O-] ZINC000349103176 1141638957 /nfs/dbraw/zinc/63/89/57/1141638957.db2.gz BWLICUXZNVJVGB-VURMDHGXSA-N -1 0 332.425 3.647 20 0 EHADRM O=c1nc(Cc2ccc(OCc3ccncc3)cc2)[n-]c2ccsc21 ZINC000050186681 214049767 /nfs/dbraw/zinc/04/97/67/214049767.db2.gz KLIKADOPLUWUEO-UHFFFAOYSA-N -1 0 349.415 3.549 20 0 EHADRM COc1ccc([C@H]2CCCN2C(=O)c2c([O-])cc(F)cc2F)cc1 ZINC000066043153 215004231 /nfs/dbraw/zinc/00/42/31/215004231.db2.gz DPBQNGKTTZRREM-OAHLLOKOSA-N -1 0 333.334 3.656 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)c1sccc1Br ZINC000104300159 219372023 /nfs/dbraw/zinc/37/20/23/219372023.db2.gz CGFXBAUCZNHHHI-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)C[C@@]1(C(=O)[O-])CCSC1 ZINC000069771824 215570106 /nfs/dbraw/zinc/57/01/06/215570106.db2.gz NXCDCEYAHFFCRW-SGTLLEGYSA-N -1 0 347.436 3.516 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cc(Cl)nc(Cl)c1 ZINC000037976721 213180064 /nfs/dbraw/zinc/18/00/64/213180064.db2.gz FWKXJOGZFGZHTP-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(C)c(F)c2)c1 ZINC000023371305 212373125 /nfs/dbraw/zinc/37/31/25/212373125.db2.gz NBLNLNGDYMFFHX-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1ccc(F)cc1Br ZINC000021961341 212265946 /nfs/dbraw/zinc/26/59/46/212265946.db2.gz GETOLMFFLHERCB-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)COc2ccc(Cl)cc2)s1 ZINC000020333230 212120804 /nfs/dbraw/zinc/12/08/04/212120804.db2.gz NCTCJSZGVVTHNG-UHFFFAOYSA-N -1 0 339.800 3.680 20 0 EHADRM Cc1cccc(C)c1OCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000020334706 212120611 /nfs/dbraw/zinc/12/06/11/212120611.db2.gz LOWUGAMNGVLPAT-UHFFFAOYSA-N -1 0 345.420 3.569 20 0 EHADRM Cc1ccc(C)c(S([O-])=CC(=O)N[C@@H](c2ccccc2)C(C)C)c1 ZINC000107964769 524214264 /nfs/dbraw/zinc/21/42/64/524214264.db2.gz VZARBQRBIJDMLK-HYBUGGRVSA-N -1 0 343.492 3.925 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2cc(Cl)sc2Cl)CC1 ZINC000225891967 601815292 /nfs/dbraw/zinc/81/52/92/601815292.db2.gz VJJRKCKAZRRNFF-UHFFFAOYSA-N -1 0 336.240 3.772 20 0 EHADRM Cc1cc(OCc2ccccc2)ccc1NC(=O)N(C)CCC(=O)[O-] ZINC000691053824 596986795 /nfs/dbraw/zinc/98/67/95/596986795.db2.gz WADPZBBOKUDFEE-UHFFFAOYSA-N -1 0 342.395 3.512 20 0 EHADRM C[C@H](SCc1csc(COc2ccc(F)cc2)n1)C(=O)[O-] ZINC000739058450 597071624 /nfs/dbraw/zinc/07/16/24/597071624.db2.gz ZRRJIXAJUJHJQP-VIFPVBQESA-N -1 0 327.402 3.568 20 0 EHADRM C[C@@H](Oc1ccccc1NC(=O)CSCC(=O)[O-])c1ccccc1 ZINC000577248742 597094604 /nfs/dbraw/zinc/09/46/04/597094604.db2.gz LGDTYMQWOJJEJB-CYBMUJFWSA-N -1 0 345.420 3.583 20 0 EHADRM O=C([O-])CCNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000238183020 597112319 /nfs/dbraw/zinc/11/23/19/597112319.db2.gz WZYZHRVKNXASQS-UHFFFAOYSA-N -1 0 337.297 3.577 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000392114955 597118283 /nfs/dbraw/zinc/11/82/83/597118283.db2.gz VOLKGDGOULAZSI-VIFPVBQESA-N -1 0 348.296 3.563 20 0 EHADRM CC[C@H](NC(=S)NCc1ccc(C(=O)[O-])cc1)c1cccs1 ZINC000736920491 597163849 /nfs/dbraw/zinc/16/38/49/597163849.db2.gz UUHQUPNNMMAXEN-ZDUSSCGKSA-N -1 0 334.466 3.562 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1ccc(-c2nccs2)cc1 ZINC000417740262 597167556 /nfs/dbraw/zinc/16/75/56/597167556.db2.gz XUVBQLIZBKNKDT-UHFFFAOYSA-N -1 0 333.413 3.577 20 0 EHADRM Cc1ccc(C[C@H](C)N(C)C(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000738269386 597194289 /nfs/dbraw/zinc/19/42/89/597194289.db2.gz MWDGTGGBSZFVSX-HNNXBMFYSA-N -1 0 340.423 3.717 20 0 EHADRM CC(C)Oc1ccccc1C[S@](=O)Cc1ccc(C(=O)[O-])cc1 ZINC000817921841 597285333 /nfs/dbraw/zinc/28/53/33/597285333.db2.gz YGEBQSVEPBAHKJ-HSZRJFAPSA-N -1 0 332.421 3.621 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)NC[C@@H]1CCCc2ccccc21 ZINC000819618398 597321826 /nfs/dbraw/zinc/32/18/26/597321826.db2.gz VLTWIIGHVJHNNE-INIZCTEOSA-N -1 0 338.407 3.555 20 0 EHADRM CCOc1ccccc1[C@@H](C)NC(=O)Nc1ccccc1CC(=O)[O-] ZINC000818251217 597339750 /nfs/dbraw/zinc/33/97/50/597339750.db2.gz XGZBVLZWSABUPY-CYBMUJFWSA-N -1 0 342.395 3.595 20 0 EHADRM Cc1c(C(=O)N[C@H](C(=O)[O-])c2ccccc2)cccc1-c1ccccn1 ZINC000190749175 597392106 /nfs/dbraw/zinc/39/21/06/597392106.db2.gz AOGDMRYKQKUKTM-IBGZPJMESA-N -1 0 346.386 3.613 20 0 EHADRM Cc1cc(C(=O)Nc2ccccc2CC(=O)[O-])ccc1Br ZINC000137449083 597412566 /nfs/dbraw/zinc/41/25/66/597412566.db2.gz QZHUEMPYKUEIEZ-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc([C@H]3CCCOC3)cc2)c(F)c1 ZINC000821547108 597607104 /nfs/dbraw/zinc/60/71/04/597607104.db2.gz JACRMYMIWOVYDL-HNNXBMFYSA-N -1 0 343.354 3.670 20 0 EHADRM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000820228140 597650201 /nfs/dbraw/zinc/65/02/01/597650201.db2.gz MOWCIWKLGPMENK-JQWIXIFHSA-N -1 0 344.333 3.508 20 0 EHADRM Cc1cc(NC2CCC(C(=O)[O-])CC2)ccc1OC1CCOCC1 ZINC000821041614 598111154 /nfs/dbraw/zinc/11/11/54/598111154.db2.gz BAAASNROWHVFFT-UHFFFAOYSA-N -1 0 333.428 3.608 20 0 EHADRM C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000191572528 598154081 /nfs/dbraw/zinc/15/40/81/598154081.db2.gz UAQFDMRMCSBGHJ-LLVKDONJSA-N -1 0 340.404 3.828 20 0 EHADRM O=C([O-])NCCCC(=O)Oc1c(Cl)cc(Cl)cc1Cl ZINC000739973558 599705861 /nfs/dbraw/zinc/70/58/61/599705861.db2.gz XCWSEXAUZFKCAU-UHFFFAOYSA-N -1 0 326.563 3.600 20 0 EHADRM COc1ccc(S[C@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000479436949 599703641 /nfs/dbraw/zinc/70/36/41/599703641.db2.gz JJOWSJHQHXYYLV-SNVBAGLBSA-N -1 0 349.383 3.652 20 0 EHADRM CCCC[C@H](Sc1nnc2cc(C)c3ccccc3n21)C(=O)[O-] ZINC000736985130 599709994 /nfs/dbraw/zinc/70/99/94/599709994.db2.gz MLZZZSBPCBURGG-AWEZNQCLSA-N -1 0 329.425 3.926 20 0 EHADRM CC(C)OCc1ccccc1CNC(=O)c1ccccc1NC(=O)[O-] ZINC000736486373 599710054 /nfs/dbraw/zinc/71/00/54/599710054.db2.gz RKOVOZBTXOPGGS-UHFFFAOYSA-N -1 0 342.395 3.632 20 0 EHADRM CC(C)(C)SCCNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000398148502 599710520 /nfs/dbraw/zinc/71/05/20/599710520.db2.gz YFDZSOOWURTIMV-UHFFFAOYSA-N -1 0 330.837 3.691 20 0 EHADRM COc1ccc([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000737947175 599710857 /nfs/dbraw/zinc/71/08/57/599710857.db2.gz JSEYXHIKOXDFMT-JTQLQIEISA-N -1 0 333.771 3.789 20 0 EHADRM O=C([O-])NCCC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000739948340 599711087 /nfs/dbraw/zinc/71/10/87/599711087.db2.gz VELPIBIDISQDAD-UHFFFAOYSA-N -1 0 341.392 3.560 20 0 EHADRM C[C@H](CN(C)C(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC000736569024 599711792 /nfs/dbraw/zinc/71/17/92/599711792.db2.gz IDYPFJGDWYDHBT-CQSZACIVSA-N -1 0 326.396 3.581 20 0 EHADRM O=C([O-])NCCCC(=O)Nc1nc(-c2cc3ccccc3o2)cs1 ZINC000739966697 599712162 /nfs/dbraw/zinc/71/21/62/599712162.db2.gz NZTBCTQGYUCBBS-UHFFFAOYSA-N -1 0 345.380 3.543 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N[C@@H]2CCc3c2cccc3F)ccc1F ZINC000740006685 599713849 /nfs/dbraw/zinc/71/38/49/599713849.db2.gz VNOMVYFQUGGKSF-CQSZACIVSA-N -1 0 347.321 3.864 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)C3=COCCC3)ccc2n1C1CC1 ZINC000738276445 599714153 /nfs/dbraw/zinc/71/41/53/599714153.db2.gz UCQNYYFLQHISDK-UHFFFAOYSA-N -1 0 341.363 3.583 20 0 EHADRM CCCN(Cc1cc(C)c(C(=O)[O-])o1)[C@H](C)C(=O)Nc1ccccc1 ZINC000737019751 599714520 /nfs/dbraw/zinc/71/45/20/599714520.db2.gz MGSSGRSBIZWHIG-CQSZACIVSA-N -1 0 344.411 3.525 20 0 EHADRM C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)CCCNC(=O)[O-])c2)C1 ZINC000736779576 599727871 /nfs/dbraw/zinc/72/78/71/599727871.db2.gz IZZHMDOCIQIYBL-RHSMWYFYSA-N -1 0 348.443 3.768 20 0 EHADRM CN(CCCC(=O)Nc1ccc(Nc2ccccc2)cc1)C(=O)[O-] ZINC000737429457 599729177 /nfs/dbraw/zinc/72/91/77/599729177.db2.gz IXTGATFYMUHGLJ-UHFFFAOYSA-N -1 0 327.384 3.759 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1C(=O)O[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000739554354 599729568 /nfs/dbraw/zinc/72/95/68/599729568.db2.gz BUOWLTXUOWBGRJ-OAGGEKHMSA-N -1 0 330.767 3.693 20 0 EHADRM CN(CCCC(=O)N1CCC[C@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000737417430 599740034 /nfs/dbraw/zinc/74/00/34/599740034.db2.gz FIJCBNQIPOSZLH-SFHVURJKSA-N -1 0 340.423 3.893 20 0 EHADRM O=C([O-])c1ccccc1OC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000739338564 599745082 /nfs/dbraw/zinc/74/50/82/599745082.db2.gz KMZFLAFCXLNOGD-UHFFFAOYSA-N -1 0 329.739 3.668 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)/C=C\c1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000736870118 599745316 /nfs/dbraw/zinc/74/53/16/599745316.db2.gz JIJNWZTVQHZUBZ-IOMGTLSNSA-N -1 0 345.439 3.637 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000737255942 599746553 /nfs/dbraw/zinc/74/65/53/599746553.db2.gz DOYRMORNVRVOMN-APPDUMDISA-N -1 0 347.361 3.573 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)s1 ZINC000238035201 599753858 /nfs/dbraw/zinc/75/38/58/599753858.db2.gz SLKOLHIPYYDUKX-OAHLLOKOSA-N -1 0 333.384 3.857 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1ccc2[nH]ccc2c1)C(=O)[O-] ZINC000362538733 599754533 /nfs/dbraw/zinc/75/45/33/599754533.db2.gz YORWECMTTVAYHH-AWEZNQCLSA-N -1 0 336.391 3.531 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(OCC(=O)[O-])cc1)C1CCCCC1 ZINC000324746840 599756046 /nfs/dbraw/zinc/75/60/46/599756046.db2.gz QDUDPBVOOFUXQY-MRXNPFEDSA-N -1 0 334.416 3.630 20 0 EHADRM Cc1cc(SC(C)(C)C)ccc1NC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000263485663 599758445 /nfs/dbraw/zinc/75/84/45/599758445.db2.gz MOFWOGVVQZNRMV-GFCCVEGCSA-N -1 0 336.457 3.824 20 0 EHADRM Cc1nc([C@@H](C)Nc2nc(C)nc3sc(C(=O)[O-])c(C)c32)cs1 ZINC000649389152 599762492 /nfs/dbraw/zinc/76/24/92/599762492.db2.gz PTGJPSROUOSGJA-SSDOTTSWSA-N -1 0 348.453 3.944 20 0 EHADRM C[C@H](Sc1cccc(Cl)c1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736712218 599763270 /nfs/dbraw/zinc/76/32/70/599763270.db2.gz LBFAIWGWPISWRP-NSHDSACASA-N -1 0 349.839 3.835 20 0 EHADRM O=C([O-])c1ccc2c(=O)[nH]c(CSc3cccc(Cl)c3)nc2c1 ZINC000740188962 599763645 /nfs/dbraw/zinc/76/36/45/599763645.db2.gz MCDKNQBQCNPSKJ-UHFFFAOYSA-N -1 0 346.795 3.979 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000262636664 599765849 /nfs/dbraw/zinc/76/58/49/599765849.db2.gz GHPMMKFOMRMOQC-WDMOLILDSA-N -1 0 342.222 3.563 20 0 EHADRM CCCC[C@H]1CCC[C@@H]1NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000736986416 599781705 /nfs/dbraw/zinc/78/17/05/599781705.db2.gz WNVKQFAWKOFVBP-RDJZCZTQSA-N -1 0 332.444 3.885 20 0 EHADRM CC(C)[C@H](OC(=O)/C=C\c1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000736390342 599784484 /nfs/dbraw/zinc/78/44/84/599784484.db2.gz NXIJXCVXYMYOCC-LENZSSGSSA-N -1 0 332.396 3.674 20 0 EHADRM O=C([O-])c1ccccc1C(=O)OCc1ccc(Br)s1 ZINC000740243480 599788656 /nfs/dbraw/zinc/78/86/56/599788656.db2.gz XYFDHRSLHYBNSI-UHFFFAOYSA-N -1 0 341.182 3.566 20 0 EHADRM COc1ccccc1[C@H]1CCCN1C(=O)NCCCCCCC(=O)[O-] ZINC000738128295 599790425 /nfs/dbraw/zinc/79/04/25/599790425.db2.gz MYQYMPNRGDZLDO-MRXNPFEDSA-N -1 0 348.443 3.577 20 0 EHADRM O=C([O-])c1occc1CSc1nnc(-c2ccccc2Cl)o1 ZINC000740278642 599802773 /nfs/dbraw/zinc/80/27/73/599802773.db2.gz JOOWYQJTDPIIKZ-UHFFFAOYSA-N -1 0 336.756 3.974 20 0 EHADRM O=C([O-])c1ccoc1CSc1nnc(-c2ccccc2Cl)o1 ZINC000740254443 599802888 /nfs/dbraw/zinc/80/28/88/599802888.db2.gz XGIGGWMRLGVUMZ-UHFFFAOYSA-N -1 0 336.756 3.974 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)/C=C\Sc1ccccc1 ZINC000737869144 599805620 /nfs/dbraw/zinc/80/56/20/599805620.db2.gz XWTUYHUWVZTQQY-KTKRTIGZSA-N -1 0 330.361 3.605 20 0 EHADRM CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1nc2c(ccc3ccccc23)s1 ZINC000736381248 599807253 /nfs/dbraw/zinc/80/72/53/599807253.db2.gz JMZRXGSWPYIRJV-CYBMUJFWSA-N -1 0 343.408 3.680 20 0 EHADRM Cc1[nH]c(C(=O)Nc2scnc2-c2ccccc2)c(C)c1C(=O)[O-] ZINC000738243290 599807372 /nfs/dbraw/zinc/80/73/72/599807372.db2.gz WHNDWVDFFBIDFD-UHFFFAOYSA-N -1 0 341.392 3.706 20 0 EHADRM CC(C)(C)c1nc(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cs1 ZINC000736298980 599809844 /nfs/dbraw/zinc/80/98/44/599809844.db2.gz GNJVIUULAYLGKN-UHFFFAOYSA-N -1 0 340.351 3.669 20 0 EHADRM C[C@@H](CC(=O)Nc1cccc(CSCCC(=O)[O-])c1)n1cccc1 ZINC000532596337 599810033 /nfs/dbraw/zinc/81/00/33/599810033.db2.gz GEWSICKNUUUGIN-AWEZNQCLSA-N -1 0 346.452 3.786 20 0 EHADRM Cc1nc(NC(=O)C[C@H]2CCCc3ccccc32)sc1C(=O)[O-] ZINC000738362081 599810407 /nfs/dbraw/zinc/81/04/07/599810407.db2.gz VZEACDMFGLOFGA-GFCCVEGCSA-N -1 0 330.409 3.598 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)N2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000740140648 599817696 /nfs/dbraw/zinc/81/76/96/599817696.db2.gz MCFRLHBNBIOOEB-ZDUSSCGKSA-N -1 0 346.333 3.684 20 0 EHADRM O=C([O-])c1cc(NC(=O)NC2(c3ccc(F)cc3)CC2)ccc1Cl ZINC000739468096 599817757 /nfs/dbraw/zinc/81/77/57/599817757.db2.gz FGESJXNNSBQIPT-UHFFFAOYSA-N -1 0 348.761 3.988 20 0 EHADRM CCc1ccc(CN(C)C(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000737264789 599826368 /nfs/dbraw/zinc/82/63/68/599826368.db2.gz KZUYTQAXDUSZGX-UHFFFAOYSA-N -1 0 340.423 3.930 20 0 EHADRM COC(=O)/C(=C/c1ccc(-c2ccc(C(=O)[O-])cc2)o1)c1ccncc1 ZINC000737562299 599831039 /nfs/dbraw/zinc/83/10/39/599831039.db2.gz KYCXCLFSQDKLHN-SFQUDFHCSA-N -1 0 349.342 3.753 20 0 EHADRM O=C([O-])c1c(NC(=O)Cn2ccc3ccccc32)sc2c1CCC2 ZINC000739356888 599835328 /nfs/dbraw/zinc/83/53/28/599835328.db2.gz RAXLKHKFABUQFS-UHFFFAOYSA-N -1 0 340.404 3.528 20 0 EHADRM O=C([O-])c1ccc(OC(=O)c2sccc2OC(F)F)c(Cl)c1 ZINC000740162227 599840126 /nfs/dbraw/zinc/84/01/26/599840126.db2.gz WRYXBQIBFZPRDC-UHFFFAOYSA-N -1 0 348.710 3.920 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2ccc(C)s2)cc1 ZINC000237347450 599844834 /nfs/dbraw/zinc/84/48/34/599844834.db2.gz OIQNWLBIQHXCPR-OAHLLOKOSA-N -1 0 349.477 3.653 20 0 EHADRM Cc1ccc(SCC(=O)Nc2cccc(F)c2C(=O)[O-])c(C)c1 ZINC000738668337 599846576 /nfs/dbraw/zinc/84/65/76/599846576.db2.gz YMRHHABCHHSQLD-UHFFFAOYSA-N -1 0 333.384 3.872 20 0 EHADRM COc1ccc([C@@H](NCc2c(Cl)cccc2Cl)C(=O)[O-])cc1 ZINC000737972976 599861833 /nfs/dbraw/zinc/86/18/33/599861833.db2.gz PKQHRJFKDMRABO-OAHLLOKOSA-N -1 0 340.206 3.918 20 0 EHADRM Cc1ccccc1CC(C)(C)NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000738766565 599863208 /nfs/dbraw/zinc/86/32/08/599863208.db2.gz FLGZRTMCNOQVLT-UHFFFAOYSA-N -1 0 326.396 3.836 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)OCc1cc(-c2cccs2)on1 ZINC000740054292 599869165 /nfs/dbraw/zinc/86/91/65/599869165.db2.gz OQBSKDJVGCWSHX-UHFFFAOYSA-N -1 0 344.348 3.850 20 0 EHADRM O=C(/C=C/c1cccs1)NCc1c2ccccc2sc1C(=O)[O-] ZINC000739216812 599872842 /nfs/dbraw/zinc/87/28/42/599872842.db2.gz VLENOTFZDJZCKW-BQYQJAHWSA-N -1 0 343.429 3.991 20 0 EHADRM Cc1oc(CN(C)Cc2csc(-c3ccoc3)n2)cc1C(=O)[O-] ZINC000576710174 599877011 /nfs/dbraw/zinc/87/70/11/599877011.db2.gz CUGWFFOSUZYDLE-UHFFFAOYSA-N -1 0 332.381 3.635 20 0 EHADRM O=C([O-])c1coc(COC(=O)Cc2ccc(-c3ccccc3)cc2)c1 ZINC000739342479 599877936 /nfs/dbraw/zinc/87/79/36/599877936.db2.gz WCIDKBRZSJINEP-UHFFFAOYSA-N -1 0 336.343 3.931 20 0 EHADRM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)OCc1cc(C(=O)[O-])co1 ZINC000736700912 599879785 /nfs/dbraw/zinc/87/97/85/599879785.db2.gz ORHPUZYZCGRLHQ-GFCCVEGCSA-N -1 0 346.379 3.786 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)Nc2cccc(Sc3ccccc3)c2)C1 ZINC000739592846 599880971 /nfs/dbraw/zinc/88/09/71/599880971.db2.gz DUAXLMIMYXETPK-ZDUSSCGKSA-N -1 0 342.420 3.776 20 0 EHADRM Cc1cccnc1NC(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000738790514 599881033 /nfs/dbraw/zinc/88/10/33/599881033.db2.gz ZFTVSEMZXJBRIZ-UHFFFAOYSA-N -1 0 341.392 3.625 20 0 EHADRM CCC[C@@H]1CCCC[C@@H]1NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000736974594 599881587 /nfs/dbraw/zinc/88/15/87/599881587.db2.gz NQHPXCZNWJSQKW-WBVHZDCISA-N -1 0 332.444 3.885 20 0 EHADRM CC(C)c1ccc(SCC(=O)OCc2cc(C(=O)[O-])co2)cc1 ZINC000736520463 599882451 /nfs/dbraw/zinc/88/24/51/599882451.db2.gz HSTIMYZLTSCAMS-UHFFFAOYSA-N -1 0 334.393 3.937 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000492960774 599886623 /nfs/dbraw/zinc/88/66/23/599886623.db2.gz XZJPRPGJWJNKOO-HVHJFMEUSA-N -1 0 345.439 3.590 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CCC[C@H]1C1CCC1 ZINC000736486783 599886979 /nfs/dbraw/zinc/88/69/79/599886979.db2.gz DIKWXHYUKBYWBX-INIZCTEOSA-N -1 0 346.427 3.968 20 0 EHADRM O=C([O-])N1CCC[C@@H](NC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000739489914 599889264 /nfs/dbraw/zinc/88/92/64/599889264.db2.gz UAODHYUNCARJSN-OAHLLOKOSA-N -1 0 339.395 3.618 20 0 EHADRM O=C([O-])C1(NC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)CCCCC1 ZINC000238053741 599890684 /nfs/dbraw/zinc/89/06/84/599890684.db2.gz XPIFQYHEAULNSS-MSOLQXFVSA-N -1 0 337.419 3.847 20 0 EHADRM COc1ccc(NC(=S)Nc2ccc(C(=O)[O-])c(C)c2)cc1F ZINC000738041194 599891791 /nfs/dbraw/zinc/89/17/91/599891791.db2.gz YKBHORJZGJFTJE-UHFFFAOYSA-N -1 0 334.372 3.650 20 0 EHADRM CC(C)COc1ccc(NC(=O)[C@@H](NC(=O)[O-])C(C)C)cc1Cl ZINC000736448185 599892364 /nfs/dbraw/zinc/89/23/64/599892364.db2.gz IWHMSMDAQLCGKC-AWEZNQCLSA-N -1 0 342.823 3.606 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000679400382 599895254 /nfs/dbraw/zinc/89/52/54/599895254.db2.gz NFDYQECWXGJCOL-GBESFXJTSA-N -1 0 337.419 3.799 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000316143049 599895858 /nfs/dbraw/zinc/89/58/58/599895858.db2.gz RDUAIBVERIVFFU-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM Cc1nc(NC(=O)C[C@H](c2ccccc2)C(C)C)sc1C(=O)[O-] ZINC000738359294 599897156 /nfs/dbraw/zinc/89/71/56/599897156.db2.gz FXTQLZKDLOGVNG-ZDUSSCGKSA-N -1 0 332.425 3.918 20 0 EHADRM CCc1[nH]c(C(=O)N[C@@H](C)Cc2ccc(C)cc2C)c(C)c1C(=O)[O-] ZINC000737243365 599904151 /nfs/dbraw/zinc/90/41/51/599904151.db2.gz YKKFMEOAVMXOBB-ZDUSSCGKSA-N -1 0 342.439 3.562 20 0 EHADRM C[C@H](Cc1ccccc1Cl)NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000736626121 599904480 /nfs/dbraw/zinc/90/44/80/599904480.db2.gz JUTPSYJMEUTJFP-LLVKDONJSA-N -1 0 332.787 3.791 20 0 EHADRM CCCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000326581592 599905068 /nfs/dbraw/zinc/90/50/68/599905068.db2.gz BDMNHGQQVNWKNC-UHFFFAOYSA-N -1 0 347.436 3.689 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000542517317 599906227 /nfs/dbraw/zinc/90/62/27/599906227.db2.gz BACULMKZQXNWKM-ZDUSSCGKSA-N -1 0 327.380 3.834 20 0 EHADRM Cc1ccc(S(=O)(=O)Cc2c3ccccc3sc2C(=O)[O-])cc1 ZINC000320679905 599908274 /nfs/dbraw/zinc/90/82/74/599908274.db2.gz ONAYWGBFABOXSU-UHFFFAOYSA-N -1 0 346.429 3.882 20 0 EHADRM CC(C)(C(=O)Nc1ccc(F)c(NC(=O)[O-])c1)c1ccc(F)cc1 ZINC000736230112 599912924 /nfs/dbraw/zinc/91/29/24/599912924.db2.gz AZHJKCBZEZFDAR-UHFFFAOYSA-N -1 0 334.322 3.971 20 0 EHADRM Cc1ccccc1CC(C)(C)NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000738766402 599913320 /nfs/dbraw/zinc/91/33/20/599913320.db2.gz DJZKWTXNRGVCPF-UHFFFAOYSA-N -1 0 326.396 3.836 20 0 EHADRM CCN(CC(=O)[O-])C(=O)c1cc2c(s1)-c1ccccc1C(C)(C)C2 ZINC000737076565 599914445 /nfs/dbraw/zinc/91/44/45/599914445.db2.gz UZXZIVBJKNOBSB-UHFFFAOYSA-N -1 0 343.448 3.796 20 0 EHADRM Cc1ccc(F)c(C(=O)Nc2cccc(CSCC(=O)[O-])c2)c1 ZINC000237768009 599918819 /nfs/dbraw/zinc/91/88/19/599918819.db2.gz MGSOCYPLTXELGE-UHFFFAOYSA-N -1 0 333.384 3.704 20 0 EHADRM CN(C(=O)c1cccc(C(=O)[O-])c1)[C@H](c1ccccc1)C(F)(F)F ZINC000737340841 599919456 /nfs/dbraw/zinc/91/94/56/599919456.db2.gz MFAJGRDPDLYVLR-CQSZACIVSA-N -1 0 337.297 3.760 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)Cc2cccc(Cl)c2)c1 ZINC000238072387 599919857 /nfs/dbraw/zinc/91/98/57/599919857.db2.gz HFFAASYNFLFYBW-UHFFFAOYSA-N -1 0 349.839 3.839 20 0 EHADRM Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)CN(C)C(=O)[O-] ZINC000738305837 599926646 /nfs/dbraw/zinc/92/66/46/599926646.db2.gz RAKZVQMMQKXTDZ-UHFFFAOYSA-N -1 0 332.787 3.864 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000740027576 599929466 /nfs/dbraw/zinc/92/94/66/599929466.db2.gz WXTKDUNFWGYMIW-MRXNPFEDSA-N -1 0 328.343 3.893 20 0 EHADRM Nc1c(Cl)cc(NC(=O)c2cccc(NC(=O)[O-])c2)cc1Cl ZINC000739205559 599932937 /nfs/dbraw/zinc/93/29/37/599932937.db2.gz UAKUKTGFVROHNJ-UHFFFAOYSA-N -1 0 340.166 3.918 20 0 EHADRM CCn1c(SCCC(=O)[O-])nnc1-c1ccc(C(C)(C)C)cc1 ZINC000737299206 599943542 /nfs/dbraw/zinc/94/35/42/599943542.db2.gz MGYYVLNATJJRQF-UHFFFAOYSA-N -1 0 333.457 3.829 20 0 EHADRM Cc1noc(C)c1C(=O)OCc1c2ccccc2sc1C(=O)[O-] ZINC000738941897 599943939 /nfs/dbraw/zinc/94/39/39/599943939.db2.gz WNMNXZIRVHVHEL-UHFFFAOYSA-N -1 0 331.349 3.561 20 0 EHADRM C[C@H](CC(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-])CC(C)(C)C ZINC000736541527 599944278 /nfs/dbraw/zinc/94/42/78/599944278.db2.gz KOWSRGCJEQTVAZ-HIFRSBDPSA-N -1 0 337.435 3.648 20 0 EHADRM CCCCO[C@@H](C)C(=O)OCc1c2ccccc2sc1C(=O)[O-] ZINC000736998812 599945549 /nfs/dbraw/zinc/94/55/49/599945549.db2.gz FDNWUONYADUMPN-NSHDSACASA-N -1 0 336.409 3.848 20 0 EHADRM CC(C)c1ccc2cc(C(=O)Nc3cccc(C(=O)[O-])c3O)[nH]c2c1 ZINC000736522204 599948740 /nfs/dbraw/zinc/94/87/40/599948740.db2.gz WHLOLNLEDGKSDW-UHFFFAOYSA-N -1 0 338.363 3.947 20 0 EHADRM Cn1ccc2c1cccc2C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000139323333 599950903 /nfs/dbraw/zinc/95/09/03/599950903.db2.gz UZJXRHPSDUKLKI-KRWDZBQOSA-N -1 0 336.391 3.514 20 0 EHADRM Cc1ccc2cc(C(=O)N[C@H](CCC(=O)[O-])c3ccccc3)[nH]c2c1 ZINC000139282143 599953023 /nfs/dbraw/zinc/95/30/23/599953023.db2.gz KHNDFJVRFMDMEI-MRXNPFEDSA-N -1 0 336.391 3.812 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)N2CCC(c3nccs3)CC2)c1 ZINC000740042915 599953193 /nfs/dbraw/zinc/95/31/93/599953193.db2.gz MNVHTDODEDMNFU-UHFFFAOYSA-N -1 0 346.412 3.645 20 0 EHADRM Cc1oc(-c2ccsc2)nc1CC(=O)Nc1ccc(C(=O)[O-])s1 ZINC000738955207 599969587 /nfs/dbraw/zinc/96/95/87/599969587.db2.gz DSTPODQIDBWAQU-UHFFFAOYSA-N -1 0 348.405 3.652 20 0 EHADRM C[C@@H](C(=O)Nc1sc2c(c1C(=O)[O-])CCC2)c1ccccc1F ZINC000736219051 599969703 /nfs/dbraw/zinc/96/97/03/599969703.db2.gz JDUZYYDHRYVCEU-SECBINFHSA-N -1 0 333.384 3.816 20 0 EHADRM C[C@@H](C(=O)N1CCCc2c(C(=O)[O-])cccc21)c1ccccc1F ZINC000736204147 599971149 /nfs/dbraw/zinc/97/11/49/599971149.db2.gz GSIBCMGPCCBHHH-GFCCVEGCSA-N -1 0 327.355 3.607 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1csc2ccccc12)c1cc(F)ccc1F ZINC000739370085 599975496 /nfs/dbraw/zinc/97/54/96/599975496.db2.gz CWMHQRXJAQSNPY-OAHLLOKOSA-N -1 0 347.342 3.735 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N2CCC[C@@H](Cc3ccccc3)C2)c1 ZINC000740228062 599983034 /nfs/dbraw/zinc/98/30/34/599983034.db2.gz JUPXZOIJWQBEIE-INIZCTEOSA-N -1 0 338.407 3.871 20 0 EHADRM Cc1nc(NC(=O)CCCCCc2cccs2)sc1C(=O)[O-] ZINC000738360223 599994974 /nfs/dbraw/zinc/99/49/74/599994974.db2.gz KXHQSDPUHGCZCN-UHFFFAOYSA-N -1 0 338.454 3.953 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCC[C@H](Cc3ccccc3)C2)cc1 ZINC000738684404 599995256 /nfs/dbraw/zinc/99/52/56/599995256.db2.gz ZBZKHDLRHCENFZ-MRXNPFEDSA-N -1 0 338.407 3.871 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1 ZINC000238150542 599995660 /nfs/dbraw/zinc/99/56/60/599995660.db2.gz ZROJSZYKVFZODX-WDEREUQCSA-N -1 0 335.281 3.544 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000740066166 599998183 /nfs/dbraw/zinc/99/81/83/599998183.db2.gz LONDWIXDTMUNJL-VHSXEESVSA-N -1 0 335.281 3.544 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)/C=C\Sc2ccccc2)c1 ZINC000737934922 599999062 /nfs/dbraw/zinc/99/90/62/599999062.db2.gz JYNHARDFQCASBA-KTKRTIGZSA-N -1 0 329.377 3.638 20 0 EHADRM O=C([O-])c1coc(COC(=O)[C@@H](OC2CCCC2)c2ccccc2)c1 ZINC000740268350 599999287 /nfs/dbraw/zinc/99/92/87/599999287.db2.gz RNTPJBIJFYPEAE-KRWDZBQOSA-N -1 0 344.363 3.722 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000325407905 600000706 /nfs/dbraw/zinc/00/07/06/600000706.db2.gz SDFZBBGYGVEKTK-UHFFFAOYSA-N -1 0 339.269 3.665 20 0 EHADRM O=C([O-])c1ccc(NCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000738684376 600003023 /nfs/dbraw/zinc/00/30/23/600003023.db2.gz IVQNLPCKBQQMRO-UHFFFAOYSA-N -1 0 329.743 3.700 20 0 EHADRM CCN(CC)[C@@H](C(=O)Oc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000737084862 600006793 /nfs/dbraw/zinc/00/67/93/600006793.db2.gz DQOHPQWOPAKJLW-QGZVFWFLSA-N -1 0 342.395 3.765 20 0 EHADRM Cc1sc2nc(C)nc(N3Cc4ccc(C(=O)[O-])cc4C3)c2c1C ZINC000326688552 600006847 /nfs/dbraw/zinc/00/68/47/600006847.db2.gz SDMFWSWGCFOLSQ-UHFFFAOYSA-N -1 0 339.420 3.835 20 0 EHADRM Cc1cccc(OCCCNC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000738737638 600011812 /nfs/dbraw/zinc/01/18/12/600011812.db2.gz ILNYXTPMCDCYOV-UHFFFAOYSA-N -1 0 342.395 3.592 20 0 EHADRM Cc1ccc2c(c1C)OC[C@@H]2NC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000738440235 600012678 /nfs/dbraw/zinc/01/26/78/600012678.db2.gz GFQPEZUPYOIGSQ-INIZCTEOSA-N -1 0 340.379 3.565 20 0 EHADRM CC(C)(C)[C@H](NC(=O)NC1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000262903119 600016303 /nfs/dbraw/zinc/01/63/03/600016303.db2.gz DBWVAAUTTWIATM-UYSNPLJNSA-N -1 0 332.444 3.716 20 0 EHADRM Cc1cccc2sc(C(=O)N3CCC[C@@H](C(=O)[O-])C3)c(Cl)c21 ZINC000621539335 600016775 /nfs/dbraw/zinc/01/67/75/600016775.db2.gz VMJCGADAIFDBFR-SNVBAGLBSA-N -1 0 337.828 3.800 20 0 EHADRM C[C@H]1C[C@H](C)CN(C(=O)Nc2cccc(CSCC(=O)[O-])c2)C1 ZINC000736750282 600020856 /nfs/dbraw/zinc/02/08/56/600020856.db2.gz NVLPWLWFDNLVQV-STQMWFEESA-N -1 0 336.457 3.514 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)Nc1cccc(-n2cccc2)c1 ZINC000737470150 600022022 /nfs/dbraw/zinc/02/20/22/600022022.db2.gz DYDXOKVTBGHZML-UHFFFAOYSA-N -1 0 349.390 3.839 20 0 EHADRM Cc1ccc(OC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)c(C(=O)[O-])c1 ZINC000738636980 600023334 /nfs/dbraw/zinc/02/33/34/600023334.db2.gz RUIBOKGWQUTPMR-VXGBXAGGSA-N -1 0 332.302 3.681 20 0 EHADRM Cc1cccc(C[C@@H](CNC(=O)Nc2ccc(C)cc2C)C(=O)[O-])c1 ZINC000738708481 600026011 /nfs/dbraw/zinc/02/60/11/600026011.db2.gz OYCXZFGSOGBRBY-KRWDZBQOSA-N -1 0 340.423 3.677 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000738840282 600026536 /nfs/dbraw/zinc/02/65/36/600026536.db2.gz FXHPLCPACZUKBE-UHFFFAOYSA-N -1 0 333.409 3.595 20 0 EHADRM Cc1ccc(NC(=O)NC2CCC(C(=O)[O-])CC2)cc1C(F)(F)F ZINC000261600713 600030178 /nfs/dbraw/zinc/03/01/78/600030178.db2.gz BEHRUAZYQUNULD-UHFFFAOYSA-N -1 0 344.333 3.779 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N2CCCSc3ccccc32)cc1 ZINC000630288490 600035167 /nfs/dbraw/zinc/03/51/67/600035167.db2.gz MBPJAHCWNWBFND-UHFFFAOYSA-N -1 0 341.432 3.846 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)NCCc2cccc3ccccc32)cc1 ZINC000238066814 600038081 /nfs/dbraw/zinc/03/80/81/600038081.db2.gz HZAZOKINCPRSHI-UHFFFAOYSA-N -1 0 347.414 3.830 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)c1ccc(-c2ccc(C)cc2)cc1F ZINC000236831281 600038357 /nfs/dbraw/zinc/03/83/57/600038357.db2.gz WXFLBAWDWQJJGM-UHFFFAOYSA-N -1 0 329.371 3.738 20 0 EHADRM COc1cccc([C@@H]2C[C@H]2C(=O)Oc2ccc(Cl)cc2C(=O)[O-])c1 ZINC000738095380 600038970 /nfs/dbraw/zinc/03/89/70/600038970.db2.gz GFFACJZVQXMTDL-UONOGXRCSA-N -1 0 346.766 3.756 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)C2 ZINC000326097080 600040934 /nfs/dbraw/zinc/04/09/34/600040934.db2.gz BZINVDMYWMVYTA-YGRLFVJLSA-N -1 0 341.329 3.596 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1cc(Cl)ccc1Cl)C2 ZINC000317384572 600041553 /nfs/dbraw/zinc/04/15/53/600041553.db2.gz KDFLVRYPAKCYGS-UHFFFAOYSA-N -1 0 336.174 3.848 20 0 EHADRM O=C([O-])C1CCC(NC(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000261947913 600048813 /nfs/dbraw/zinc/04/88/13/600048813.db2.gz MOYBXEVVEUWVOR-UHFFFAOYSA-N -1 0 344.238 3.686 20 0 EHADRM Cc1cc(C(=O)[O-])c2sc(NC(=O)C[C@@H](C)CC(C)C)nc2n1 ZINC000738342607 600050425 /nfs/dbraw/zinc/05/04/25/600050425.db2.gz MPZPIZNQHKNZFF-VIFPVBQESA-N -1 0 335.429 3.709 20 0 EHADRM Cc1cc(=O)oc2cc(OCc3ccc(F)cc3C(=O)[O-])ccc12 ZINC000738315371 600058339 /nfs/dbraw/zinc/05/83/39/600058339.db2.gz WAIVNOZRVMAGOE-UHFFFAOYSA-N -1 0 328.295 3.518 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N[C@H](C(=O)[O-])C(C)C)c(F)c2)cc1 ZINC000236772215 600058987 /nfs/dbraw/zinc/05/89/87/600058987.db2.gz KDJZAZYZEXLSFI-KRWDZBQOSA-N -1 0 329.371 3.640 20 0 EHADRM Cc1oc(COC(=O)C(C)(C)c2ccccc2Cl)cc1C(=O)[O-] ZINC000738979696 600060649 /nfs/dbraw/zinc/06/06/49/600060649.db2.gz CNEAITFNLDSWRM-UHFFFAOYSA-N -1 0 336.771 3.961 20 0 EHADRM COc1ccc(CCCCCC(=O)Nc2ncc(C(=O)[O-])s2)cc1 ZINC000737992199 600063307 /nfs/dbraw/zinc/06/33/07/600063307.db2.gz JXALKZDBOFCMKY-UHFFFAOYSA-N -1 0 348.424 3.592 20 0 EHADRM CC[C@H](C(=O)NC[C@H](Cc1cccc(C)c1)C(=O)[O-])c1ccccc1 ZINC000237083836 600069105 /nfs/dbraw/zinc/06/91/05/600069105.db2.gz AWLGJKCEEZLSTN-OALUTQOASA-N -1 0 339.435 3.548 20 0 EHADRM COc1ccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)c(C(=O)[O-])c1 ZINC000326944207 600072434 /nfs/dbraw/zinc/07/24/34/600072434.db2.gz HMXUTRHWUBMPCI-UHFFFAOYSA-N -1 0 338.363 3.744 20 0 EHADRM Cc1cccc(C)c1Oc1ccccc1NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000432106858 600076458 /nfs/dbraw/zinc/07/64/58/600076458.db2.gz AICJKHMUIPMOFK-KGLIPLIRSA-N -1 0 325.364 3.755 20 0 EHADRM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ccccc1Oc1ccc(Cl)cc1 ZINC000739552681 600077421 /nfs/dbraw/zinc/07/74/21/600077421.db2.gz JQNMENZZYFMYCU-STQMWFEESA-N -1 0 331.755 3.792 20 0 EHADRM Cc1ccc(-c2nsc(NC(=O)c3cccc(C(=O)[O-])c3)n2)s1 ZINC000738494511 600083256 /nfs/dbraw/zinc/08/32/56/600083256.db2.gz MZHYWNFZMKYYHP-UHFFFAOYSA-N -1 0 345.405 3.526 20 0 EHADRM Cc1ccccc1SCC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000738786766 600091224 /nfs/dbraw/zinc/09/12/24/600091224.db2.gz ZTDMLVPSRATGDP-UHFFFAOYSA-N -1 0 334.372 3.955 20 0 EHADRM COc1ccccc1C/C(C)=C/C(=O)OCc1cc(C)c(C(=O)[O-])o1 ZINC000738125029 600108671 /nfs/dbraw/zinc/10/86/71/600108671.db2.gz XEATXHYZYQNRKZ-FMIVXFBMSA-N -1 0 344.363 3.527 20 0 EHADRM COc1ccccc1C/C(C)=C/C(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC000738124531 600108878 /nfs/dbraw/zinc/10/88/78/600108878.db2.gz QMWLHMSBLQFNCL-JKIKYLSZSA-N -1 0 340.375 3.553 20 0 EHADRM COc1cc(CN2Cc3ccc(C(=O)[O-])cc3C2)ccc1OC(F)F ZINC000392612360 600110353 /nfs/dbraw/zinc/11/03/53/600110353.db2.gz FSDLJZDRLXHODK-UHFFFAOYSA-N -1 0 349.333 3.511 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)Cc1cccc2ccccc21 ZINC000739346470 600110994 /nfs/dbraw/zinc/11/09/94/600110994.db2.gz XSTIIXAOQOCMCA-UHFFFAOYSA-N -1 0 338.334 3.963 20 0 EHADRM Cc1c(Cl)cccc1NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000322002712 600111168 /nfs/dbraw/zinc/11/11/68/600111168.db2.gz MNHNDSCFJSDROU-UHFFFAOYSA-N -1 0 330.771 3.894 20 0 EHADRM O=C([O-])c1ccc(-c2noc([C@H]3Cc4cc(Cl)ccc4O3)n2)cc1 ZINC000740101310 600111721 /nfs/dbraw/zinc/11/17/21/600111721.db2.gz GRQSHDJCXMWWIC-CQSZACIVSA-N -1 0 342.738 3.764 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)Nc1ccc(Cl)c(F)c1)C2 ZINC000321585336 600113353 /nfs/dbraw/zinc/11/33/53/600113353.db2.gz DLDQSCBIQLKMED-UHFFFAOYSA-N -1 0 334.734 3.725 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000738118741 600117470 /nfs/dbraw/zinc/11/74/70/600117470.db2.gz CWKMLXVHXUBMOV-XFXZXTDPSA-N -1 0 344.338 3.679 20 0 EHADRM Cc1cc(NC(=O)c2oc3ccc(Cl)cc3c2C)c(C(=O)[O-])[nH]1 ZINC000391207094 600123029 /nfs/dbraw/zinc/12/30/29/600123029.db2.gz HGOCCSKZNLEUKM-UHFFFAOYSA-N -1 0 332.743 3.982 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)C=Cc1ccc(Cl)cc1 ZINC000736187750 600123807 /nfs/dbraw/zinc/12/38/07/600123807.db2.gz ZMOJKFQVCHIETJ-WTKPLQERSA-N -1 0 344.750 3.860 20 0 EHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000736396357 600125703 /nfs/dbraw/zinc/12/57/03/600125703.db2.gz UDRGSVABFPFTNL-SJORKVTESA-N -1 0 332.444 3.741 20 0 EHADRM CSc1ccc(C)c(C(=O)Oc2ccc(C(=O)[O-])cc2C(C)=O)c1 ZINC000738214226 600126179 /nfs/dbraw/zinc/12/61/79/600126179.db2.gz SKYMXQZOAVKOOZ-UHFFFAOYSA-N -1 0 344.388 3.837 20 0 EHADRM CC[C@](NC(=O)[C@@H](C)Cc1cccc(F)c1)(C(=O)[O-])c1ccccc1 ZINC000485370295 600128304 /nfs/dbraw/zinc/12/83/04/600128304.db2.gz DCMCTGKJSDERNL-VBKZILBWSA-N -1 0 343.398 3.511 20 0 EHADRM CC[C@](NCc1coc(-c2cccs2)n1)(C(=O)[O-])c1ccccc1 ZINC000736919960 600131584 /nfs/dbraw/zinc/13/15/84/600131584.db2.gz FCWBQMKZYXXCKJ-GOSISDBHSA-N -1 0 342.420 3.883 20 0 EHADRM O=C([O-])C1(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CCCC1 ZINC000237944163 600141612 /nfs/dbraw/zinc/14/16/12/600141612.db2.gz LHYNIDYLYMXWBK-NWDGAFQWSA-N -1 0 342.222 3.611 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)Nc1ccccc1C(=O)[O-] ZINC000681682208 600142589 /nfs/dbraw/zinc/14/25/89/600142589.db2.gz UFSSRLBUZVSCFZ-ZDUSSCGKSA-N -1 0 327.380 3.601 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000237197537 600143443 /nfs/dbraw/zinc/14/34/43/600143443.db2.gz ASAMKUUKLIRGJK-GFCCVEGCSA-N -1 0 345.370 3.740 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)Nc1sccc1C(=O)[O-] ZINC000738126453 600145151 /nfs/dbraw/zinc/14/51/51/600145151.db2.gz UPSVCHMFVHFXON-LLVKDONJSA-N -1 0 333.409 3.662 20 0 EHADRM Cc1ccc2oc(C(=O)Oc3ccc(C(=O)[O-])cc3Cl)cc2n1 ZINC000738679826 600151682 /nfs/dbraw/zinc/15/16/82/600151682.db2.gz BMFCZVNFBRYRMZ-UHFFFAOYSA-N -1 0 331.711 3.707 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cccc(C(F)F)c1)c1ccc(F)cc1 ZINC000738566726 600158563 /nfs/dbraw/zinc/15/85/63/600158563.db2.gz TXGGIJKDKZLFDD-CQSZACIVSA-N -1 0 337.297 3.709 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)C1(C)C ZINC000676022338 600166132 /nfs/dbraw/zinc/16/61/32/600166132.db2.gz VBQDVFRJAUPEPY-BRWVUGGUSA-N -1 0 329.440 3.518 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)c(F)c1 ZINC000316227028 600167921 /nfs/dbraw/zinc/16/79/21/600167921.db2.gz ZIZFMVCLEUAXSR-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM CCc1ccc(NC(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000737267217 600176179 /nfs/dbraw/zinc/17/61/79/600176179.db2.gz UXHAEGLEURGCRF-QGZVFWFLSA-N -1 0 326.396 3.547 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCSC[C@@H]2c2ccccc2)cc1 ZINC000738683647 600180465 /nfs/dbraw/zinc/18/04/65/600180465.db2.gz QIAATYPALLDWEX-MRXNPFEDSA-N -1 0 342.420 3.707 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000736762851 600181883 /nfs/dbraw/zinc/18/18/83/600181883.db2.gz SJQMCTWDNLYIIM-OCCSQVGLSA-N -1 0 342.370 3.934 20 0 EHADRM C[C@H]1CCC[C@H](CCNC(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC000736776197 600183536 /nfs/dbraw/zinc/18/35/36/600183536.db2.gz UKZMERYXIBLPJU-LSDHHAIUSA-N -1 0 348.443 3.878 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)/C=C(\C)c1cccc(F)c1 ZINC000737866717 600190182 /nfs/dbraw/zinc/19/01/82/600190182.db2.gz NQKUBTHUMJNFIN-DHZHZOJOSA-N -1 0 330.311 3.541 20 0 EHADRM O=C(CC[C@H]1CCCCO1)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000320559131 600191079 /nfs/dbraw/zinc/19/10/79/600191079.db2.gz JYJWRDJTURTUMO-LLVKDONJSA-N -1 0 337.441 3.613 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(-c2ccccc2)[nH]1)c1ccccc1 ZINC000171862817 600191144 /nfs/dbraw/zinc/19/11/44/600191144.db2.gz PQRNCOJMJHPZPY-GOSISDBHSA-N -1 0 334.375 3.628 20 0 EHADRM C[C@@]1(C(=O)Nc2ccc(C(=O)[O-])cc2F)CCCc2ccccc21 ZINC000261895253 600199494 /nfs/dbraw/zinc/19/94/94/600199494.db2.gz CSTHDYWWKJQRCH-LJQANCHMSA-N -1 0 327.355 3.757 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000120214562 600205245 /nfs/dbraw/zinc/20/52/45/600205245.db2.gz WAQZYCKUUBVYSE-RYUDHWBXSA-N -1 0 331.318 3.714 20 0 EHADRM CN(Cc1csc(Br)c1)[C@H](C(=O)[O-])c1ccccc1 ZINC000042362850 600213092 /nfs/dbraw/zinc/21/30/92/600213092.db2.gz SANORSCIPOEFAY-ZDUSSCGKSA-N -1 0 340.242 3.768 20 0 EHADRM Cc1ccc(CC(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)cc1C ZINC000738584964 600213330 /nfs/dbraw/zinc/21/33/30/600213330.db2.gz OASWZWGRHAZMBH-UHFFFAOYSA-N -1 0 349.333 3.784 20 0 EHADRM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc(C(=O)[O-])s1 ZINC000736904034 600213781 /nfs/dbraw/zinc/21/37/81/600213781.db2.gz OFQJDUCTSMWKQW-LBPRGKRZSA-N -1 0 337.828 3.851 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc3[nH]ccc3c2)c(OC(F)F)c1 ZINC000740157191 600213931 /nfs/dbraw/zinc/21/39/31/600213931.db2.gz TYFPPWMKIODCHM-UHFFFAOYSA-N -1 0 346.289 3.720 20 0 EHADRM CN(CC(=O)Nc1ccc2ccccc2c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737396209 600217175 /nfs/dbraw/zinc/21/71/75/600217175.db2.gz BNIXXEDNXXCVGR-HXUWFJFHSA-N -1 0 348.402 3.536 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000192946911 600217278 /nfs/dbraw/zinc/21/72/78/600217278.db2.gz CMYFJEWMNASJED-XJKSGUPXSA-N -1 0 341.432 3.523 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000327129822 600225543 /nfs/dbraw/zinc/22/55/43/600225543.db2.gz GJVVSFOJZJSUND-AWEZNQCLSA-N -1 0 339.322 3.709 20 0 EHADRM CCc1cccc(CC)c1S(=O)(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000737267575 600225688 /nfs/dbraw/zinc/22/56/88/600225688.db2.gz QXJLALOTURBDBI-UHFFFAOYSA-N -1 0 349.408 3.669 20 0 EHADRM Cc1csc(C(C)(C)NCc2cc(C)c(OCC(=O)[O-])c(C)c2)n1 ZINC000738815897 600227124 /nfs/dbraw/zinc/22/71/24/600227124.db2.gz BWBSKFNCAXRJDA-UHFFFAOYSA-N -1 0 348.468 3.557 20 0 EHADRM C[C@@H](CC(=O)OCc1ccc(F)cc1C(=O)[O-])c1cccc(F)c1 ZINC000736557659 600237670 /nfs/dbraw/zinc/23/76/70/600237670.db2.gz WRQBIXBSKDBRPC-NSHDSACASA-N -1 0 334.318 3.900 20 0 EHADRM C[C@H](OC(=O)[C@H]1C[C@H]1c1c(F)cccc1F)c1ccc(C(=O)[O-])o1 ZINC000736685819 600238405 /nfs/dbraw/zinc/23/84/05/600238405.db2.gz RFICHMWHIOXMST-AEJSXWLSSA-N -1 0 336.290 3.664 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N1CCC(c2ccccc2F)CC1 ZINC000740239027 600242244 /nfs/dbraw/zinc/24/22/44/600242244.db2.gz FLDJSVSDEUAFBQ-UHFFFAOYSA-N -1 0 342.370 3.935 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1oc2ccccc2c1C ZINC000738088373 600248943 /nfs/dbraw/zinc/24/89/43/600248943.db2.gz HXARKAMKOJBYNY-UHFFFAOYSA-N -1 0 326.304 3.667 20 0 EHADRM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000237577805 600253657 /nfs/dbraw/zinc/25/36/57/600253657.db2.gz MNUXFUAKXMCEDR-MLGOLLRUSA-N -1 0 327.355 3.542 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)NCCCc1ccc(C(C)C)cc1 ZINC000736417526 600259319 /nfs/dbraw/zinc/25/93/19/600259319.db2.gz VJXDXUSLRPOLME-KRWDZBQOSA-N -1 0 334.460 3.541 20 0 EHADRM C[C@@H](CC(=O)[O-])Sc1cc(C(F)(F)F)nc(-c2cccnc2)n1 ZINC000736557411 600259746 /nfs/dbraw/zinc/25/97/46/600259746.db2.gz SGUBJBTXXZCBMM-QMMMGPOBSA-N -1 0 343.330 3.513 20 0 EHADRM CC(C)(C)c1ccc(-c2cc(NC(=O)CCCNC(=O)[O-])on2)cc1 ZINC000736295084 600267827 /nfs/dbraw/zinc/26/78/27/600267827.db2.gz SBZUMELAWNKWKC-UHFFFAOYSA-N -1 0 345.399 3.625 20 0 EHADRM O=C([O-])c1ccoc1COC(=O)c1cccc(Oc2nccs2)c1 ZINC000740296198 600272431 /nfs/dbraw/zinc/27/24/31/600272431.db2.gz HURMAEHYJWGSFQ-UHFFFAOYSA-N -1 0 345.332 3.584 20 0 EHADRM C[C@H](CCC(C)(C)C)NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000386156476 600275227 /nfs/dbraw/zinc/27/52/27/600275227.db2.gz VDUDXCPYUHOBIN-SECBINFHSA-N -1 0 328.359 3.999 20 0 EHADRM CCc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)s1 ZINC000737256242 600276888 /nfs/dbraw/zinc/27/68/88/600276888.db2.gz FKXRQJSMRXISME-UHFFFAOYSA-N -1 0 341.335 3.862 20 0 EHADRM C/C(=C\C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)c1cccc(F)c1 ZINC000736122257 600284483 /nfs/dbraw/zinc/28/44/83/600284483.db2.gz YODGDIPJRCTLNM-JLHYYAGUSA-N -1 0 342.370 3.978 20 0 EHADRM O=C([O-])[C@H]1CN(Cc2csc(C3CCCC3)n2)c2ccccc2O1 ZINC000739616115 600288795 /nfs/dbraw/zinc/28/87/95/600288795.db2.gz KJMHSXJELMUXBF-MRXNPFEDSA-N -1 0 344.436 3.653 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1 ZINC000739990716 600293636 /nfs/dbraw/zinc/29/36/36/600293636.db2.gz ADLDTWWXSKYTQJ-UHFFFAOYSA-N -1 0 338.285 3.725 20 0 EHADRM O=C([O-])CCCCCCNC(=O)N1CCCCC[C@H]1c1ccco1 ZINC000738565208 600294012 /nfs/dbraw/zinc/29/40/12/600294012.db2.gz ICVKZFKKKAFHHJ-HNNXBMFYSA-N -1 0 336.432 3.941 20 0 EHADRM CC(C)Cc1ccc(CC(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000736454826 600294389 /nfs/dbraw/zinc/29/43/89/600294389.db2.gz XKWWNMNHCJIUAA-UHFFFAOYSA-N -1 0 340.423 3.834 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000736548405 600294575 /nfs/dbraw/zinc/29/45/75/600294575.db2.gz MBXZWZFYULKDQG-GFCCVEGCSA-N -1 0 330.359 3.726 20 0 EHADRM CN(Cc1ccc(NC(=O)c2cccc3c2ccn3C)cc1)C(=O)[O-] ZINC000737485556 600306797 /nfs/dbraw/zinc/30/67/97/600306797.db2.gz UHLZGFIYCDIPGY-UHFFFAOYSA-N -1 0 337.379 3.540 20 0 EHADRM O=C([O-])[C@H]1CC12CCN(C(=O)Nc1cc(Cl)ccc1Cl)CC2 ZINC000405485402 600316359 /nfs/dbraw/zinc/31/63/59/600316359.db2.gz LQWNKPUDPQSSTC-SNVBAGLBSA-N -1 0 343.210 3.712 20 0 EHADRM CCc1ccc(OCC(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000737268233 600320163 /nfs/dbraw/zinc/32/01/63/600320163.db2.gz WUZUDRGGMWANEI-QGZVFWFLSA-N -1 0 348.782 3.650 20 0 EHADRM CCc1ccccc1OCC(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737275816 600321313 /nfs/dbraw/zinc/32/13/13/600321313.db2.gz ZCAQCYAILCBKLI-QGZVFWFLSA-N -1 0 348.782 3.650 20 0 EHADRM Nc1cc(Cl)ccc1C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000739204875 600321383 /nfs/dbraw/zinc/32/13/83/600321383.db2.gz OYOSNNKXSSEUBX-CYBMUJFWSA-N -1 0 340.162 3.558 20 0 EHADRM C[C@H](OCc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000736701468 600325151 /nfs/dbraw/zinc/32/51/51/600325151.db2.gz VNFDTAGFCGNOGD-BLLLJJGKSA-N -1 0 348.782 3.614 20 0 EHADRM CCSc1cccc(NC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC000737230422 600340243 /nfs/dbraw/zinc/34/02/43/600340243.db2.gz XLQHOJFYQMERJA-CQSZACIVSA-N -1 0 334.441 3.517 20 0 EHADRM C[C@@H](CCc1ccco1)NC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736563009 600341525 /nfs/dbraw/zinc/34/15/25/600341525.db2.gz VDZYFNLYQAQQHL-ZDUSSCGKSA-N -1 0 345.399 3.532 20 0 EHADRM CC[C@](C)(NC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccccc1 ZINC000736861370 600357437 /nfs/dbraw/zinc/35/74/37/600357437.db2.gz KYALSEZTMUBCRL-IBGZPJMESA-N -1 0 341.411 3.901 20 0 EHADRM CC[C@@H](CC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccc(C)cc1 ZINC000236925886 600366914 /nfs/dbraw/zinc/36/69/14/600366914.db2.gz MGWUYPHTTGIIEK-INIZCTEOSA-N -1 0 325.408 3.893 20 0 EHADRM Cc1cc(Br)oc1C(=O)Nc1cc(C)c(C(=O)[O-])s1 ZINC000738313506 600368874 /nfs/dbraw/zinc/36/88/74/600368874.db2.gz LBHOCLYWKCUVNL-UHFFFAOYSA-N -1 0 344.186 3.671 20 0 EHADRM Cc1cc(NC(=O)Cc2cccc(OC(C)C)c2)sc1C(=O)[O-] ZINC000738432105 600369741 /nfs/dbraw/zinc/36/97/41/600369741.db2.gz WZLWNFQUTFJMAN-UHFFFAOYSA-N -1 0 333.409 3.723 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000736618303 600371177 /nfs/dbraw/zinc/37/11/77/600371177.db2.gz NKGARFLYIZAOBS-GFCCVEGCSA-N -1 0 348.395 3.996 20 0 EHADRM Cc1cc(NC(=O)c2csc(-c3ccccn3)n2)sc1C(=O)[O-] ZINC000738453821 600372156 /nfs/dbraw/zinc/37/21/56/600372156.db2.gz WBCAQSYZTLOOLW-UHFFFAOYSA-N -1 0 345.405 3.526 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000675945930 600373314 /nfs/dbraw/zinc/37/33/14/600373314.db2.gz ISKXTJWPGVJVQO-HNNXBMFYSA-N -1 0 343.398 3.508 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)N(CC(=O)[O-])Cc2ccccc2)cc1 ZINC000737256347 600376115 /nfs/dbraw/zinc/37/61/15/600376115.db2.gz HALSTMOMBXSXNU-INIZCTEOSA-N -1 0 339.435 3.856 20 0 EHADRM Cc1sc2nc(S[C@H](C(=O)[O-])c3ccccc3)nc(N)c2c1C ZINC000045316968 600377134 /nfs/dbraw/zinc/37/71/34/600377134.db2.gz QLZZOGBSALVRQZ-LBPRGKRZSA-N -1 0 345.449 3.808 20 0 EHADRM CC(C)(C)c1n[nH]c(S[C@H](C(=O)[O-])c2cccc(Cl)c2)n1 ZINC000736306871 600378732 /nfs/dbraw/zinc/37/87/32/600378732.db2.gz LUYUEHQUYLOOPZ-JTQLQIEISA-N -1 0 325.821 3.674 20 0 EHADRM C[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)c1ccsc1 ZINC000736217173 600378968 /nfs/dbraw/zinc/37/89/68/600378968.db2.gz VRBCGQAIVQSWFD-QMMMGPOBSA-N -1 0 341.335 3.790 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)CCc1ccc(F)cc1)c1ccccc1 ZINC000736846346 600379010 /nfs/dbraw/zinc/37/90/10/600379010.db2.gz GNJHDLNRCUMAAT-QGZVFWFLSA-N -1 0 329.371 3.655 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@@H](C)Oc1cccc(C)c1)c1ccccc1 ZINC000736850628 600379265 /nfs/dbraw/zinc/37/92/65/600379265.db2.gz XNCIXXLIJQPNAS-CRAIPNDOSA-N -1 0 341.407 3.659 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1cnc(C(C)(C)C)s1)c1ccccc1 ZINC000736851526 600379314 /nfs/dbraw/zinc/37/93/14/600379314.db2.gz PKQMVDLUQBKHPP-ZDUSSCGKSA-N -1 0 346.452 3.951 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C[C@@H]1CCOc2ccccc21 ZINC000120192571 600380472 /nfs/dbraw/zinc/38/04/72/600380472.db2.gz FJHSQZOYMLXNLQ-ZDUSSCGKSA-N -1 0 325.364 3.588 20 0 EHADRM O=C([O-])c1ccc(OC(=O)C[C@@H]2CCOc3ccccc32)c(Cl)c1 ZINC000739222353 600380829 /nfs/dbraw/zinc/38/08/29/600380829.db2.gz LTCPXKJWMOUPPT-NSHDSACASA-N -1 0 346.766 3.900 20 0 EHADRM COc1ccc(C)cc1[C@H](C)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000737975045 600382138 /nfs/dbraw/zinc/38/21/38/600382138.db2.gz CYYWJBQRXBHUCU-NSHDSACASA-N -1 0 346.358 3.724 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OC(=O)C[C@H]1CCOc2ccccc21 ZINC000739221554 600382855 /nfs/dbraw/zinc/38/28/55/600382855.db2.gz DUZJVVQSEGMSMH-LLVKDONJSA-N -1 0 346.766 3.900 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000738757110 600383215 /nfs/dbraw/zinc/38/32/15/600383215.db2.gz WKOVOBHBNJAOGX-OAHLLOKOSA-N -1 0 340.423 3.937 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1cc2nc(C)ccc2o1)c1ccccc1 ZINC000736851073 600384768 /nfs/dbraw/zinc/38/47/68/600384768.db2.gz DWNBICJKAJGQPK-HNNXBMFYSA-N -1 0 338.363 3.646 20 0 EHADRM C[C@@H](c1ccccc1F)N(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000324713531 600385917 /nfs/dbraw/zinc/38/59/17/600385917.db2.gz DWDIKAGBICVIRH-JTQLQIEISA-N -1 0 334.322 3.888 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@H](C)c1cccc(OC)c1)c1ccccc1 ZINC000736848108 600386673 /nfs/dbraw/zinc/38/66/73/600386673.db2.gz MLINRQNXVUPCFO-KDOFPFPSSA-N -1 0 341.407 3.695 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000736850901 600387650 /nfs/dbraw/zinc/38/76/50/600387650.db2.gz YFONIUPESKGNCE-RCCFBDPRSA-N -1 0 341.382 3.826 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)Cc1cccc(Cl)c1)c1ccccc1 ZINC000736854606 600388860 /nfs/dbraw/zinc/38/88/60/600388860.db2.gz YBTBHCCRQOFGIJ-MRXNPFEDSA-N -1 0 331.799 3.779 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)/C=C\c1cccc(F)c1)c1ccccc1 ZINC000736850378 600389244 /nfs/dbraw/zinc/38/92/44/600389244.db2.gz WGIFZIHSHNKYIQ-WFTPILKQSA-N -1 0 327.355 3.735 20 0 EHADRM Cc1cc(Cl)cc2c1N(C(=O)c1cccc(C(=O)[O-])c1)CCC2 ZINC000738399806 600390187 /nfs/dbraw/zinc/39/01/87/600390187.db2.gz UVVIKIJAUXBOSF-UHFFFAOYSA-N -1 0 329.783 3.940 20 0 EHADRM COc1ccccc1C(C)(C)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000738120226 600390400 /nfs/dbraw/zinc/39/04/00/600390400.db2.gz LRADLSOTQFAFSG-UHFFFAOYSA-N -1 0 346.358 3.589 20 0 EHADRM CSCCCC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000237495971 600391178 /nfs/dbraw/zinc/39/11/78/600391178.db2.gz GQHDHYSKCHSGJM-HNNXBMFYSA-N -1 0 337.485 3.759 20 0 EHADRM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000567359140 600395913 /nfs/dbraw/zinc/39/59/13/600395913.db2.gz LKPNVHIYMKBIBX-DLBZAZTESA-N -1 0 349.789 3.678 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccccc1OC ZINC000736913961 600397556 /nfs/dbraw/zinc/39/75/56/600397556.db2.gz KGRIERBBPNVQTE-AWEZNQCLSA-N -1 0 346.358 3.805 20 0 EHADRM C[C@H](CC(=O)NCCCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000237617737 600398613 /nfs/dbraw/zinc/39/86/13/600398613.db2.gz OCRPXVDCZCQMPS-LLVKDONJSA-N -1 0 331.334 3.570 20 0 EHADRM Cc1ccc(CCNC(=O)Nc2ccc(C(=O)[O-])cc2F)c(C)c1 ZINC000738591964 600401194 /nfs/dbraw/zinc/40/11/94/600401194.db2.gz JNRNXLRDFGNLCZ-UHFFFAOYSA-N -1 0 330.359 3.505 20 0 EHADRM Cc1ccc(C(C)(C)CNC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000738547305 600402680 /nfs/dbraw/zinc/40/26/80/600402680.db2.gz UJBZTZFUGHQIJG-UHFFFAOYSA-N -1 0 344.386 3.932 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CNC(=O)Nc2ccc(C(=O)[O-])cc2F)o1 ZINC000736767248 600403615 /nfs/dbraw/zinc/40/36/15/600403615.db2.gz YPQQFIPMRNWBJL-JOYOIKCWSA-N -1 0 332.331 3.562 20 0 EHADRM CC(C)CCCNC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736425782 600408391 /nfs/dbraw/zinc/40/83/91/600408391.db2.gz DFNMFNHBKNNZAL-UHFFFAOYSA-N -1 0 330.331 3.544 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000736616918 600421693 /nfs/dbraw/zinc/42/16/93/600421693.db2.gz DESSLNWBLUNJOU-CYBMUJFWSA-N -1 0 330.405 3.648 20 0 EHADRM O=C([O-])[C@@H](Nc1cccc(Cn2cccn2)c1)c1cccc(Cl)c1 ZINC000739511301 600422034 /nfs/dbraw/zinc/42/20/34/600422034.db2.gz HEERYWOVPMUKHW-KRWDZBQOSA-N -1 0 341.798 3.823 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)c2ncoc2-c2ccccc2)c1 ZINC000740135556 600425652 /nfs/dbraw/zinc/42/56/52/600425652.db2.gz OHJSUIISOSKFND-UHFFFAOYSA-N -1 0 342.738 3.946 20 0 EHADRM COC(=O)Nc1ccc(N[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000737644460 600425823 /nfs/dbraw/zinc/42/58/23/600425823.db2.gz WEVCDEQWOJWSOL-CQSZACIVSA-N -1 0 334.759 3.756 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)C[C@@H]1CCc2ccccc2C1 ZINC000740243578 600425877 /nfs/dbraw/zinc/42/58/77/600425877.db2.gz ZBJOAGJPNHMFRK-OAHLLOKOSA-N -1 0 349.430 3.859 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ncoc2-c2ccccc2)c(F)cc1F ZINC000740088526 600426842 /nfs/dbraw/zinc/42/68/42/600426842.db2.gz JIJZIQYEVIDXKK-UHFFFAOYSA-N -1 0 344.273 3.570 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)C[C@H]2CCc3ccccc3C2)cc1 ZINC000262265632 600427468 /nfs/dbraw/zinc/42/74/68/600427468.db2.gz ZKDLCSZRIULKSF-INIZCTEOSA-N -1 0 337.419 3.838 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)CC(c2ccccc2)c2ccccc2)c1 ZINC000739215391 600433284 /nfs/dbraw/zinc/43/32/84/600433284.db2.gz AQYNYVJEHZGAOP-UHFFFAOYSA-N -1 0 346.386 3.941 20 0 EHADRM C[C@H](OC(=O)C[C@@H]1CCc2ccccc2C1)c1ccc(C(=O)[O-])o1 ZINC000736686581 600436268 /nfs/dbraw/zinc/43/62/68/600436268.db2.gz UXXCLXGCZPCEJP-QWHCGFSZSA-N -1 0 328.364 3.777 20 0 EHADRM O=C([O-])[C@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1 ZINC000739512906 600446067 /nfs/dbraw/zinc/44/60/67/600446067.db2.gz QSNNUJQYFVJVRM-FVTZREDMSA-N -1 0 332.371 3.711 20 0 EHADRM CCCCO[C@@H](C)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000736998764 600450739 /nfs/dbraw/zinc/45/07/39/600450739.db2.gz CIRYJBSTYXRKAJ-JTQLQIEISA-N -1 0 327.446 3.888 20 0 EHADRM COc1ccccc1CC(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000738123219 600451039 /nfs/dbraw/zinc/45/10/39/600451039.db2.gz ALYCCBPJSUVOGM-UHFFFAOYSA-N -1 0 347.436 3.934 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)COc2ccccc2)s1 ZINC000736294218 600451350 /nfs/dbraw/zinc/45/13/50/600451350.db2.gz LDHVVLKAZQMHDH-UHFFFAOYSA-N -1 0 333.409 3.761 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736710124 600451668 /nfs/dbraw/zinc/45/16/68/600451668.db2.gz ZXJPHVWPDDSSHK-WBMJQRKESA-N -1 0 348.395 3.817 20 0 EHADRM COc1ccc(CC(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])cc1 ZINC000737983564 600451978 /nfs/dbraw/zinc/45/19/78/600451978.db2.gz BXIAHCRXUHKWOR-UHFFFAOYSA-N -1 0 347.436 3.934 20 0 EHADRM CC(C)c1cccc(C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)c1N ZINC000736521722 600452475 /nfs/dbraw/zinc/45/24/75/600452475.db2.gz SRHWXYRXRKZNDO-INIZCTEOSA-N -1 0 331.343 3.514 20 0 EHADRM C/C(=C\C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(F)cc1 ZINC000736121005 600453316 /nfs/dbraw/zinc/45/33/16/600453316.db2.gz NUVRGMVATLSVLZ-SXSDINLZSA-N -1 0 332.302 3.737 20 0 EHADRM CC(C)c1csc(NC(=O)NCCc2ccc(NC(=O)[O-])cc2)n1 ZINC000736522357 600454026 /nfs/dbraw/zinc/45/40/26/600454026.db2.gz FTGURSNSVUSBDI-UHFFFAOYSA-N -1 0 348.428 3.721 20 0 EHADRM C[C@H]1c2ccc(F)cc2CCN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000736839491 600454964 /nfs/dbraw/zinc/45/49/64/600454964.db2.gz AAKOKIDMTKHFGG-NSHDSACASA-N -1 0 328.343 3.675 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cnc(-c2ccco2)s1)c1ccc(F)cc1 ZINC000740288523 600455943 /nfs/dbraw/zinc/45/59/43/600455943.db2.gz BNVSAQDYRQOLDP-CYBMUJFWSA-N -1 0 347.323 3.525 20 0 EHADRM C[C@H](OC(=O)C[C@H]1CCOc2ccccc21)c1ccc(C(=O)[O-])o1 ZINC000736684162 600457218 /nfs/dbraw/zinc/45/72/18/600457218.db2.gz LPXMETVIGPTRPK-NWDGAFQWSA-N -1 0 330.336 3.538 20 0 EHADRM CC(C)[C@@H](NC(=O)c1ccc(Oc2ccc(F)cc2F)cc1)C(=O)[O-] ZINC000236712753 600459400 /nfs/dbraw/zinc/45/94/00/600459400.db2.gz NXXMYALLMZFSGV-MRXNPFEDSA-N -1 0 349.333 3.596 20 0 EHADRM C[C@@H]1CCCC[C@H]1CCNC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736783927 600460069 /nfs/dbraw/zinc/46/00/69/600460069.db2.gz ZZJGFVIDHJOGMM-ZBFHGGJFSA-N -1 0 347.459 3.835 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N[C@@H]2CSc3ccccc32)cc1 ZINC000739758486 600465236 /nfs/dbraw/zinc/46/52/36/600465236.db2.gz FVIUTIDBVJBCDX-OAHLLOKOSA-N -1 0 342.420 3.672 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Nc1nc2ccsc2s1)c1ccccc1 ZINC000738566754 600465767 /nfs/dbraw/zinc/46/57/67/600465767.db2.gz UDLQMLFCIKBNHP-NSHDSACASA-N -1 0 347.421 3.695 20 0 EHADRM CC(C)N(C(=O)CCCN(C)C(=O)[O-])c1ccc(F)cc1Cl ZINC000736454928 600475710 /nfs/dbraw/zinc/47/57/10/600475710.db2.gz ILJOIRPUARTOOQ-UHFFFAOYSA-N -1 0 330.787 3.611 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@@H]1CSc2ccccc21)c1ccccc1 ZINC000736850331 600476369 /nfs/dbraw/zinc/47/63/69/600476369.db2.gz VRKGYEKKJJDSEN-CVEARBPZSA-N -1 0 341.432 3.772 20 0 EHADRM C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000320509606 600476889 /nfs/dbraw/zinc/47/68/89/600476889.db2.gz MVRAAFGYHSLDCF-SECBINFHSA-N -1 0 337.734 3.583 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000736904632 600477364 /nfs/dbraw/zinc/47/73/64/600477364.db2.gz VSFGVNPSJCNYHB-GJZGRUSLSA-N -1 0 331.437 3.649 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(-c3cnco3)cc2)cc1Cl ZINC000356935407 600478031 /nfs/dbraw/zinc/47/80/31/600478031.db2.gz OPHYKLGVPYGYPI-UHFFFAOYSA-N -1 0 342.738 3.946 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000736902693 600478086 /nfs/dbraw/zinc/47/80/86/600478086.db2.gz BWSDCXNCSWJJPS-LBPRGKRZSA-N -1 0 333.334 3.870 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000736904407 600479153 /nfs/dbraw/zinc/47/91/53/600479153.db2.gz VAKOOUWADSANDU-MJGOQNOKSA-N -1 0 339.435 3.978 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000261750020 600479425 /nfs/dbraw/zinc/47/94/25/600479425.db2.gz URWGYIKFAMIMIR-AWEZNQCLSA-N -1 0 340.379 3.807 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)Nc1cc(OC)ccc1C(=O)[O-] ZINC000736902647 600479941 /nfs/dbraw/zinc/47/99/41/600479941.db2.gz AIRIOBKZWUOHDY-CQSZACIVSA-N -1 0 327.380 3.601 20 0 EHADRM Cc1csc(-c2ccc(NC(=O)NCCCCCC(=O)[O-])cc2)n1 ZINC000417750804 600480249 /nfs/dbraw/zinc/48/02/49/600480249.db2.gz GSUYMDRSYFGQGO-UHFFFAOYSA-N -1 0 347.440 3.885 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(OCCCC(=O)[O-])cc1)c1ccccc1F ZINC000237493076 600480562 /nfs/dbraw/zinc/48/05/62/600480562.db2.gz IGKRSBFWZUXFTI-CYBMUJFWSA-N -1 0 345.370 3.812 20 0 EHADRM Cc1cccc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c1C ZINC000237612025 600482219 /nfs/dbraw/zinc/48/22/19/600482219.db2.gz FJHIVCVEFVSIHI-UHFFFAOYSA-N -1 0 327.380 3.799 20 0 EHADRM Cc1ccc(-c2cc(C(=O)Nc3ccc(C(=O)[O-])c(Cl)c3)n[nH]2)o1 ZINC000177919196 600486409 /nfs/dbraw/zinc/48/64/09/600486409.db2.gz OFZDQJQAZKLRMT-UHFFFAOYSA-N -1 0 345.742 3.582 20 0 EHADRM CC(C)[C@@H]1CCCC[C@H]1NC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736394907 600494759 /nfs/dbraw/zinc/49/47/59/600494759.db2.gz LENDQRSVJLAZFM-DLBZAZTESA-N -1 0 347.459 3.833 20 0 EHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)NC2CCC(C(=O)[O-])CC2)o1 ZINC000263483256 600495440 /nfs/dbraw/zinc/49/54/40/600495440.db2.gz OOVYSONFRJSURW-GPANFISMSA-N -1 0 348.443 3.858 20 0 EHADRM O=C([O-])CCCOc1ccc(CNc2ncnc3sccc32)cc1 ZINC000739683633 600504404 /nfs/dbraw/zinc/50/44/04/600504404.db2.gz ZQPAJAKZQXYTTJ-UHFFFAOYSA-N -1 0 343.408 3.547 20 0 EHADRM Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)no1 ZINC000738377987 600508417 /nfs/dbraw/zinc/50/84/17/600508417.db2.gz CFSUUPJTYBJNMO-AWEZNQCLSA-N -1 0 349.774 3.704 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H]2CCOc3ccccc32)cc1Cl ZINC000391982853 600511750 /nfs/dbraw/zinc/51/17/50/600511750.db2.gz PWEHWEYNNKYTJQ-AWEZNQCLSA-N -1 0 346.770 3.684 20 0 EHADRM Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)OC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000738492997 600511951 /nfs/dbraw/zinc/51/19/51/600511951.db2.gz KVAIUNQLPHACBY-IACUBPJLSA-N -1 0 345.420 3.752 20 0 EHADRM COc1cccc([C@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000738091600 600516842 /nfs/dbraw/zinc/51/68/42/600516842.db2.gz KUXPXOXHXOCLBC-JTQLQIEISA-N -1 0 348.786 3.930 20 0 EHADRM Cc1csc(-c2cccc(C(=O)OCc3ccc(C(=O)[O-])o3)c2)n1 ZINC000738813701 600524172 /nfs/dbraw/zinc/52/41/72/600524172.db2.gz GGUJIFIWYHEIIH-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM Cc1cccc([C@H](C)C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000139365243 600526335 /nfs/dbraw/zinc/52/63/35/600526335.db2.gz VPMGCLUFCAZPHG-MAUKXSAKSA-N -1 0 325.408 3.821 20 0 EHADRM CC(C)(C)[C@H](NC(=O)CCCCc1nc2ccccc2s1)C(=O)[O-] ZINC000675985595 600531079 /nfs/dbraw/zinc/53/10/79/600531079.db2.gz RHPPGLWYECIRRC-MRXNPFEDSA-N -1 0 348.468 3.625 20 0 EHADRM Cc1ccc(NC(=O)c2cccc(C(=O)[O-])n2)cc1OCCC(C)C ZINC000738626997 600531679 /nfs/dbraw/zinc/53/16/79/600531679.db2.gz AMVUPKIHSXOFKO-UHFFFAOYSA-N -1 0 342.395 3.765 20 0 EHADRM CCN(C(=O)CCOc1cc(C)ccc1C)c1ccccc1C(=O)[O-] ZINC000737053833 600532152 /nfs/dbraw/zinc/53/21/52/600532152.db2.gz TXYRAOMKXIVXOV-UHFFFAOYSA-N -1 0 341.407 3.824 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)NCc1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000736250673 600533247 /nfs/dbraw/zinc/53/32/47/600533247.db2.gz KZJZTWMFFJQANM-OAHLLOKOSA-N -1 0 344.411 3.955 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)CO[C@H]1CCC[C@H](C)C1 ZINC000531748757 600534364 /nfs/dbraw/zinc/53/43/64/600534364.db2.gz AQFSPMHHEKFJRA-ZFWWWQNUSA-N -1 0 349.427 3.706 20 0 EHADRM CC1(C)CC[C@H](NC(=O)NCc2ccc(C(=O)[O-])o2)c2ccccc21 ZINC000736725932 600534521 /nfs/dbraw/zinc/53/45/21/600534521.db2.gz CLIUNKWXLOMADU-HNNXBMFYSA-N -1 0 342.395 3.590 20 0 EHADRM CC1CCN(c2cccc(NC(=O)c3ccc(C(=O)[O-])s3)c2)CC1 ZINC000736800949 600550302 /nfs/dbraw/zinc/55/03/02/600550302.db2.gz HKPKLVYUERILIR-UHFFFAOYSA-N -1 0 344.436 3.935 20 0 EHADRM Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)NCCC(=O)[O-] ZINC000738305970 600551472 /nfs/dbraw/zinc/55/14/72/600551472.db2.gz UPSZNMAQAJHCFU-UHFFFAOYSA-N -1 0 332.787 3.912 20 0 EHADRM C[C@H](C(=O)N1CCCC[C@@H]1CC(=O)[O-])c1c(Cl)cccc1Cl ZINC000666364410 600553388 /nfs/dbraw/zinc/55/33/88/600553388.db2.gz YQDUUFXIWAJUMN-WDEREUQCSA-N -1 0 344.238 3.953 20 0 EHADRM CCOc1ccc(NC(=O)c2ccccc2NC(=O)[O-])cc1OCC ZINC000737202800 600565705 /nfs/dbraw/zinc/56/57/05/600565705.db2.gz GLRMCWVBPYMSSA-UHFFFAOYSA-N -1 0 344.367 3.826 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)C(C)(C)c1cccs1 ZINC000737870703 600569575 /nfs/dbraw/zinc/56/95/75/600569575.db2.gz HESHKQKDOCAZLU-CLFYSBASSA-N -1 0 346.404 3.738 20 0 EHADRM Cc1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c(C(=O)[O-])c1 ZINC000322829442 600584625 /nfs/dbraw/zinc/58/46/25/600584625.db2.gz FYQJURVECQKKGM-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM CC(C)[C@@H](S[C@H](C)CC(=O)[O-])C(=O)Nc1ccccc1Cl ZINC000736550206 600585253 /nfs/dbraw/zinc/58/52/53/600585253.db2.gz MRJZNDPWUKZHAA-QMTHXVAHSA-N -1 0 329.849 3.900 20 0 EHADRM CC(C)[C@@H](S[C@H](C)CC(=O)[O-])C(=O)NC1CCCCCCC1 ZINC000736549331 600586790 /nfs/dbraw/zinc/58/67/90/600586790.db2.gz JJOAGQORKDIPSM-CZUORRHYSA-N -1 0 329.506 3.837 20 0 EHADRM CCc1cccc2c1N(C(=O)CCc1ccc(C(=O)[O-])cc1)CCC2 ZINC000737272571 600587814 /nfs/dbraw/zinc/58/78/14/600587814.db2.gz MUBYZUHMMAVFRJ-UHFFFAOYSA-N -1 0 337.419 3.859 20 0 EHADRM C[C@H](CC(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1)c1cccc(F)c1 ZINC000736544668 600590412 /nfs/dbraw/zinc/59/04/12/600590412.db2.gz IHVOVMJHEVEDMX-FZKQIMNGSA-N -1 0 329.371 3.604 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)c2ccccc2NC(=O)[O-])c(C)c1 ZINC000738588959 600590840 /nfs/dbraw/zinc/59/08/40/600590840.db2.gz HIGUJVINXXBECF-AWEZNQCLSA-N -1 0 326.396 3.754 20 0 EHADRM CC[C@H](NC(=O)CS[C@@H](C)CC(=O)[O-])c1ccc(Cl)cc1 ZINC000736909935 600592288 /nfs/dbraw/zinc/59/22/88/600592288.db2.gz AZENDEJYKFXFIT-GWCFXTLKSA-N -1 0 329.849 3.504 20 0 EHADRM CN(C(=O)c1ccc(C(F)(F)F)cc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737337450 600592400 /nfs/dbraw/zinc/59/24/00/600592400.db2.gz YVYQBTOPPDQRFD-CQSZACIVSA-N -1 0 337.297 3.603 20 0 EHADRM C[C@@H](CN(C)C(=O)C1(c2cccc(Cl)c2)CCCCC1)C(=O)[O-] ZINC000237371425 600592386 /nfs/dbraw/zinc/59/23/86/600592386.db2.gz BXADQXWKURASHL-ZDUSSCGKSA-N -1 0 337.847 3.721 20 0 EHADRM Cc1nc(CC(C)C)sc1C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000738849936 600592813 /nfs/dbraw/zinc/59/28/13/600592813.db2.gz KHYDRUWJKYYDHL-OAHLLOKOSA-N -1 0 346.452 3.548 20 0 EHADRM C[C@@H](S[C@@H](C)CC(=O)[O-])C(=O)Nc1cccc(Cl)c1Cl ZINC000736552961 600594434 /nfs/dbraw/zinc/59/44/34/600594434.db2.gz QAWZIDLCUFQUBS-JGVFFNPUSA-N -1 0 336.240 3.917 20 0 EHADRM C[C@@H](CN(C)C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000736568624 600595242 /nfs/dbraw/zinc/59/52/42/600595242.db2.gz GUGRCDAHTDSERC-RWIWAZIYSA-N -1 0 349.736 3.551 20 0 EHADRM Cc1cc(C)c(NC(=O)[C@@H](C)SC[C@H](C)C(=O)[O-])c(Cl)c1 ZINC000738357197 600599121 /nfs/dbraw/zinc/59/91/21/600599121.db2.gz AVZYXCKLRDVNLL-WDEREUQCSA-N -1 0 329.849 3.738 20 0 EHADRM Cc1ccc(C(=O)NC[C@@H](Cc2cccc3ccccc32)C(=O)[O-])cc1 ZINC000533710375 600599363 /nfs/dbraw/zinc/59/93/63/600599363.db2.gz VDYJVCAAMRLJOY-LJQANCHMSA-N -1 0 347.414 3.822 20 0 EHADRM CC(C)[C@@H](SC[C@H](C)C(=O)[O-])C(=O)NC1CCCCCCC1 ZINC000736606789 600600490 /nfs/dbraw/zinc/60/04/90/600600490.db2.gz IIGWBKICOUGWIR-DZGCQCFKSA-N -1 0 329.506 3.694 20 0 EHADRM CN(C(=O)CCc1cccc(Cl)c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737321373 600601331 /nfs/dbraw/zinc/60/13/31/600601331.db2.gz AFJTWWKIENOCRG-QGZVFWFLSA-N -1 0 331.799 3.557 20 0 EHADRM C[C@@H](CSCC(=O)N(Cc1ccco1)C1=CCCCC1)C(=O)[O-] ZINC000736615154 600602757 /nfs/dbraw/zinc/60/27/57/600602757.db2.gz GAQORZXIBSWMAG-ZDUSSCGKSA-N -1 0 337.441 3.520 20 0 EHADRM CC(C)[C@H](SC[C@H](C)C(=O)[O-])C(=O)Nc1ccc2c(c1)CCC2 ZINC000736606796 600604774 /nfs/dbraw/zinc/60/47/74/600604774.db2.gz IMCNJGFSYAYBQM-LRDDRELGSA-N -1 0 335.469 3.592 20 0 EHADRM CCC(C)(C)C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000236838740 600606575 /nfs/dbraw/zinc/60/65/75/600606575.db2.gz XCTAYUNVTAQKHX-QGZVFWFLSA-N -1 0 327.424 3.636 20 0 EHADRM C[C@@H](CSCC(=O)Nc1ccccc1Cc1ccccc1)C(=O)[O-] ZINC000736614763 600606892 /nfs/dbraw/zinc/60/68/92/600606892.db2.gz ZVKDYAVYCAPFDE-AWEZNQCLSA-N -1 0 343.448 3.670 20 0 EHADRM O=C([O-])c1c(NC(=O)C[C@H]2CCc3ccccc32)sc2c1CCC2 ZINC000739223197 600608013 /nfs/dbraw/zinc/60/80/13/600608013.db2.gz REVNQPCTVORUHG-GFCCVEGCSA-N -1 0 341.432 3.994 20 0 EHADRM Cc1ccccc1-c1csc(=O)n1Cc1ccc(C(=O)[O-])cc1 ZINC000738750547 600612998 /nfs/dbraw/zinc/61/29/98/600612998.db2.gz USSXGZVKMFRUFJ-UHFFFAOYSA-N -1 0 325.389 3.632 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccccc2N2CCCCC2)s1 ZINC000740156257 600616719 /nfs/dbraw/zinc/61/67/19/600616719.db2.gz LCULHDMKRHWOBD-UHFFFAOYSA-N -1 0 330.409 3.689 20 0 EHADRM CCC(=O)Nc1cccc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000178249699 600620326 /nfs/dbraw/zinc/62/03/26/600620326.db2.gz YOAFQOUHVGIDHE-UHFFFAOYSA-N -1 0 346.770 3.639 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)C(F)(F)c2ccc(F)cc2)c1 ZINC000740075099 600620472 /nfs/dbraw/zinc/62/04/72/600620472.db2.gz XNZYAEVODOVGRG-UHFFFAOYSA-N -1 0 343.688 3.908 20 0 EHADRM CCc1ccccc1OCC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000737274245 600622155 /nfs/dbraw/zinc/62/21/55/600622155.db2.gz LECQLENMMIPBRM-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)[C@H]2CSc3ccccc32)c1 ZINC000178799321 600624200 /nfs/dbraw/zinc/62/42/00/600624200.db2.gz WLAYMVLMTWMPHB-ZDUSSCGKSA-N -1 0 333.796 3.866 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN(C(=O)c2ccccc2NC(=O)[O-])C1 ZINC000736741345 600634851 /nfs/dbraw/zinc/63/48/51/600634851.db2.gz KQARGMQWMIEGSL-HXUWFJFHSA-N -1 0 338.407 3.970 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN(C(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000237366085 600635012 /nfs/dbraw/zinc/63/50/12/600635012.db2.gz VTCZTZZUDLIPJT-GOSISDBHSA-N -1 0 329.421 3.640 20 0 EHADRM CCc1cccc(C)c1NC(=O)COc1cc(C)sc1C(=O)[O-] ZINC000389906182 600638770 /nfs/dbraw/zinc/63/87/70/600638770.db2.gz AIMSRCUOWDAYTN-UHFFFAOYSA-N -1 0 333.409 3.643 20 0 EHADRM Cc1oc(CS[C@@H]2CCCN(c3ccccc3)C2=O)cc1C(=O)[O-] ZINC000738974223 600640330 /nfs/dbraw/zinc/64/03/30/600640330.db2.gz CDSQWVZXZZYXLR-MRXNPFEDSA-N -1 0 345.420 3.715 20 0 EHADRM CC(C)(C)[C@H](NC(=O)[C@H]1C[C@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000678979290 600643524 /nfs/dbraw/zinc/64/35/24/600643524.db2.gz RAQRPXZAYDABCE-YESZJQIVSA-N -1 0 325.408 3.559 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N[C@@H](C(=O)[O-])C(C)(C)C ZINC000738550816 600645202 /nfs/dbraw/zinc/64/52/02/600645202.db2.gz JALLKLSTVUKTSK-CJNGLKHVSA-N -1 0 335.444 3.501 20 0 EHADRM CCN(C(=O)/C=C\c1ccnc2ccccc12)c1ccccc1C(=O)[O-] ZINC000737053346 600646798 /nfs/dbraw/zinc/64/67/98/600646798.db2.gz RUOYOHGAFWTPJU-QXMHVHEDSA-N -1 0 346.386 3.999 20 0 EHADRM CCN(C(=O)CSc1cccc(OC)c1)c1ccccc1C(=O)[O-] ZINC000737060929 600647184 /nfs/dbraw/zinc/64/71/84/600647184.db2.gz YISPNWCXUZGCAH-UHFFFAOYSA-N -1 0 345.420 3.539 20 0 EHADRM O=C([O-])c1ccc(-c2nc(COC(=O)CCC3CC3)cs2)cc1 ZINC000739236333 600649785 /nfs/dbraw/zinc/64/97/85/600649785.db2.gz RXYZADGPGWMBEC-UHFFFAOYSA-N -1 0 331.393 3.742 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N(Cc2ccco2)Cc2ccccc2)C1 ZINC000183964096 600653817 /nfs/dbraw/zinc/65/38/17/600653817.db2.gz HJALWASFWVTBKB-IAGOWNOFSA-N -1 0 341.407 3.699 20 0 EHADRM C[C@H](c1cc2ccccc2o1)N(C)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000179953897 600653848 /nfs/dbraw/zinc/65/38/48/600653848.db2.gz MFAZBMZQJJFTCS-YUELXQCFSA-N -1 0 329.396 3.843 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)Nc2ncc(C(=O)[O-])s2)cc1 ZINC000736511785 600660006 /nfs/dbraw/zinc/66/00/06/600660006.db2.gz DDKGUOOIZFEZPU-STQMWFEESA-N -1 0 330.409 3.707 20 0 EHADRM Cc1cc(NC(=O)[C@H]2C[C@H]2c2ccc(C(C)C)cc2)c(C(=O)[O-])[nH]1 ZINC000738421206 600662349 /nfs/dbraw/zinc/66/23/49/600662349.db2.gz DYLFZMVOWXPICV-GJZGRUSLSA-N -1 0 326.396 3.887 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N(C2CC2)[C@H]2CCCc3ccccc32)C1 ZINC000245698967 600663912 /nfs/dbraw/zinc/66/39/12/600663912.db2.gz LKLZKVFCUHQWNY-MDZRGWNJSA-N -1 0 341.451 3.946 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCCC[C@H]2Cc2ccccc2)C1 ZINC000262532939 600664408 /nfs/dbraw/zinc/66/44/08/600664408.db2.gz ITNAEBXDVVJYTA-KURKYZTESA-N -1 0 329.440 3.501 20 0 EHADRM Cc1cccc(C2(NC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)CCCC2)c1 ZINC000498635092 600665835 /nfs/dbraw/zinc/66/58/35/600665835.db2.gz NCVJMUWXPOZVIG-CVEARBPZSA-N -1 0 329.440 3.772 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000736562988 600671599 /nfs/dbraw/zinc/67/15/99/600671599.db2.gz UPCLZSFCXRKQKX-KSSFIOAISA-N -1 0 343.398 3.679 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NCc1ccc(OC(F)F)cc1 ZINC000738474059 600676709 /nfs/dbraw/zinc/67/67/09/600676709.db2.gz IGPZVBRGDLRUTC-UHFFFAOYSA-N -1 0 337.322 3.672 20 0 EHADRM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Oc1ccccc1CC(=O)[O-] ZINC000738399314 600676999 /nfs/dbraw/zinc/67/69/99/600676999.db2.gz LHRFOYJEOTYWPF-GFCCVEGCSA-N -1 0 348.782 3.648 20 0 EHADRM C[C@H](CC(=O)O[C@@H](C(=O)[O-])c1ccccc1F)c1cccc(F)c1 ZINC000827392107 600677074 /nfs/dbraw/zinc/67/70/74/600677074.db2.gz SHDNNYOUVYRBGZ-PIGZYNQJSA-N -1 0 334.318 3.828 20 0 EHADRM CN(Cc1ccc(NCCCOc2ccc(F)cc2)cc1)C(=O)[O-] ZINC000737485830 600677753 /nfs/dbraw/zinc/67/77/53/600677753.db2.gz HOBATSGQIMIKHJ-UHFFFAOYSA-N -1 0 332.375 3.817 20 0 EHADRM CCN(C(=O)CNc1ccc(C(C)(C)C(=O)[O-])cc1)C1CCCCC1 ZINC000737059981 600681064 /nfs/dbraw/zinc/68/10/64/600681064.db2.gz DPFBMICTXFGLMR-UHFFFAOYSA-N -1 0 346.471 3.642 20 0 EHADRM O=C([O-])c1cccc(-c2nc(COC(=O)C3CC=CC3)cs2)c1 ZINC000833326412 600683710 /nfs/dbraw/zinc/68/37/10/600683710.db2.gz NIQOBLUZSYLHEX-UHFFFAOYSA-N -1 0 329.377 3.518 20 0 EHADRM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)CCCN(C)C(=O)[O-] ZINC000736724444 600692828 /nfs/dbraw/zinc/69/28/28/600692828.db2.gz LQNRYELAWNFPHG-HNNXBMFYSA-N -1 0 332.444 3.766 20 0 EHADRM O=C([O-])c1ccc(-c2noc([C@H]3C[C@]34CCOc3ccccc34)n2)cc1 ZINC000833308412 600693424 /nfs/dbraw/zinc/69/34/24/600693424.db2.gz PBKZYPRLXOVJMT-QRWLVFNGSA-N -1 0 348.358 3.643 20 0 EHADRM CC(=O)N(C)c1cccc(N[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000825822505 600694475 /nfs/dbraw/zinc/69/44/75/600694475.db2.gz GBMSXLQYSJORJG-INIZCTEOSA-N -1 0 332.787 3.561 20 0 EHADRM O=C([O-])c1cccc(-c2noc(-c3cccc(OC(F)F)c3)n2)c1 ZINC000391637595 600697613 /nfs/dbraw/zinc/69/76/13/600697613.db2.gz OXYHNMDAWAYSCS-UHFFFAOYSA-N -1 0 332.262 3.703 20 0 EHADRM CN(C)c1ccc([C@@H]2C[C@@H]2c2nc(-c3cccc(C(=O)[O-])c3)no2)cc1 ZINC000830634760 600700057 /nfs/dbraw/zinc/70/00/57/600700057.db2.gz AKRJFYNXULQGDZ-IRXDYDNUSA-N -1 0 349.390 3.772 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@@H]2C[C@]23CCc2ccccc23)cc1 ZINC000192889382 600706567 /nfs/dbraw/zinc/70/65/67/600706567.db2.gz KPBJDVUSSVKJIJ-RXVVDRJESA-N -1 0 335.403 3.546 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)[C@H]1C[C@]12CCc1ccccc12)c1ccccc1 ZINC000249505380 600707364 /nfs/dbraw/zinc/70/73/64/600707364.db2.gz HQEMEDHDXMENOC-DXIQSLLYSA-N -1 0 349.430 3.613 20 0 EHADRM Cn1cc(CCNc2ccc(Oc3ccccc3)cc2C(=O)[O-])cn1 ZINC000739029170 600711279 /nfs/dbraw/zinc/71/12/79/600711279.db2.gz UHUZECJBHFWCMN-UHFFFAOYSA-N -1 0 337.379 3.565 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000827427562 600721457 /nfs/dbraw/zinc/72/14/57/600721457.db2.gz KMMXZDVCXXDEKJ-PXAZEXFGSA-N -1 0 348.345 3.903 20 0 EHADRM Cc1ccc([C@H]2CCCCN2C(=O)NCCCCCCC(=O)[O-])o1 ZINC000832928664 600725070 /nfs/dbraw/zinc/72/50/70/600725070.db2.gz GCJZFHGXRPNXPV-OAHLLOKOSA-N -1 0 336.432 3.860 20 0 EHADRM CCn1c(SC/C=C(\C)C(=O)[O-])nnc1-c1cccc(Cl)c1 ZINC000830416416 600725651 /nfs/dbraw/zinc/72/56/51/600725651.db2.gz UPQNVAARENKAJJ-JXMROGBWSA-N -1 0 337.832 3.741 20 0 EHADRM CCn1c(SC/C=C(/C)C(=O)[O-])nnc1-c1cccc(Cl)c1 ZINC000830416417 600725673 /nfs/dbraw/zinc/72/56/73/600725673.db2.gz UPQNVAARENKAJJ-YFHOEESVSA-N -1 0 337.832 3.741 20 0 EHADRM CC[C@H]1CCC[C@H](NC(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000736938937 600730098 /nfs/dbraw/zinc/73/00/98/600730098.db2.gz AXXKBPURZRKYJH-BBRMVZONSA-N -1 0 333.432 3.587 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@@H]1C[C@@]12CCCc1ccccc12)c1ccccc1 ZINC000833170586 600738016 /nfs/dbraw/zinc/73/80/16/600738016.db2.gz QPTLWIMZJZJIJZ-WAOWUJCRSA-N -1 0 336.387 3.650 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)NC2CCC(C(=O)[O-])CC2)C1 ZINC000263471213 600747248 /nfs/dbraw/zinc/74/72/48/600747248.db2.gz LJLJOIQMEDXFGR-VBRUCIBASA-N -1 0 348.418 3.562 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)Nc2ccc(-c3cc[nH]n3)cc2)c1 ZINC000740043220 600747401 /nfs/dbraw/zinc/74/74/01/600747401.db2.gz QUZDZGSUQVIQQH-UHFFFAOYSA-N -1 0 337.339 3.811 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263483117 600747895 /nfs/dbraw/zinc/74/78/95/600747895.db2.gz OMQNVSDKTMKAEV-ABHNRTSZSA-N -1 0 346.471 3.601 20 0 EHADRM Cc1ccc([C@H]2CCCCN2C(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000263463539 600747977 /nfs/dbraw/zinc/74/79/77/600747977.db2.gz JKOBOYXPUKXIKW-DAWZGUTISA-N -1 0 344.455 3.875 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000236737294 600784630 /nfs/dbraw/zinc/78/46/30/600784630.db2.gz MQBMHXHAIHNMEN-UHFFFAOYSA-N -1 0 333.453 3.682 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)c(F)c1 ZINC000833319091 600787098 /nfs/dbraw/zinc/78/70/98/600787098.db2.gz RFFJWJMACVPWCN-YWZLYKJASA-N -1 0 339.366 3.757 20 0 EHADRM O=C([O-])c1ccc(OCCOc2cccc3c2CCC3=O)c(Cl)c1 ZINC000833322987 600802693 /nfs/dbraw/zinc/80/26/93/600802693.db2.gz YIMWDEGLBSLGFI-UHFFFAOYSA-N -1 0 346.766 3.625 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc2c(s1)CCC2)c1cccc(Cl)c1 ZINC000776675874 600802996 /nfs/dbraw/zinc/80/29/96/600802996.db2.gz XPKRMUBHKACIGT-ZDUSSCGKSA-N -1 0 349.839 3.836 20 0 EHADRM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1)c1ccccc1F ZINC000776673331 600806633 /nfs/dbraw/zinc/80/66/33/600806633.db2.gz DEGPWRGYBCSJLL-BDJLRTHQSA-N -1 0 349.789 3.915 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1cccc2cnccc21 ZINC000831976341 600817951 /nfs/dbraw/zinc/81/79/51/600817951.db2.gz MXZCYDXHFULRIO-SOFGYWHQSA-N -1 0 349.342 3.560 20 0 EHADRM C[C@@H](CNc1nc(Cl)c(C(=O)[O-])s1)Oc1ccccc1F ZINC000827512808 600820998 /nfs/dbraw/zinc/82/09/98/600820998.db2.gz SUEUWDFFTIAGTJ-ZETCQYMHSA-N -1 0 330.768 3.513 20 0 EHADRM C[C@@H]1CCCC[C@@H]1NC(=S)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000736786363 600821437 /nfs/dbraw/zinc/82/14/37/600821437.db2.gz TZPRNBZDNBCQRI-DOMZBBRYSA-N -1 0 334.485 3.914 20 0 EHADRM C[C@H](CC(=O)N1CCCC[C@H]1C(=O)[O-])c1ccccc1C(F)(F)F ZINC000136514362 600829406 /nfs/dbraw/zinc/82/94/06/600829406.db2.gz SCFKWBMDFVNYDG-RISCZKNCSA-N -1 0 343.345 3.665 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)c1 ZINC000238153689 600829421 /nfs/dbraw/zinc/82/94/21/600829421.db2.gz ACARJNGYGBOHFB-QWRGUYRKSA-N -1 0 335.281 3.544 20 0 EHADRM Cc1ccc(N(C)C(C)C)c(C(=O)Nc2cc(C(=O)[O-])ccc2F)c1 ZINC000738608150 600830046 /nfs/dbraw/zinc/83/00/46/600830046.db2.gz DAUXHIPZGMVWGI-UHFFFAOYSA-N -1 0 344.386 3.929 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)ccc1F ZINC000740080122 600830108 /nfs/dbraw/zinc/83/01/08/600830108.db2.gz CJKZLYVUITVNCT-PWSUYJOCSA-N -1 0 335.281 3.544 20 0 EHADRM Cc1c(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)cccc1C(=O)[O-] ZINC000675965775 600830458 /nfs/dbraw/zinc/83/04/58/600830458.db2.gz AAHWOPWEXNWDCV-QWHCGFSZSA-N -1 0 331.318 3.714 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)c(C(=O)[O-])c1 ZINC000544406896 600832437 /nfs/dbraw/zinc/83/24/37/600832437.db2.gz PZNZSCNSKYHOJX-NWDGAFQWSA-N -1 0 331.318 3.714 20 0 EHADRM Cc1cc(CN2C[C@@H](c3ccccc3C)OC[C@H]2C)oc1C(=O)[O-] ZINC000578899605 600833896 /nfs/dbraw/zinc/83/38/96/600833896.db2.gz BYVFDFMKXQMCJQ-PBHICJAKSA-N -1 0 329.396 3.557 20 0 EHADRM Cc1ccc(C)c([C@@H]2CN(Cc3ccoc3C(=O)[O-])[C@H](C)CO2)c1 ZINC000582186575 600835507 /nfs/dbraw/zinc/83/55/07/600835507.db2.gz GXTFKEHIJVMAOM-PBHICJAKSA-N -1 0 329.396 3.557 20 0 EHADRM COc1ccc(OCCS[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000832444246 600837697 /nfs/dbraw/zinc/83/76/97/600837697.db2.gz IWMVPWNTKHAKDM-INIZCTEOSA-N -1 0 336.384 3.772 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)Nc2cccc(C)c2Cl)C(=O)[O-])cc1 ZINC000832923260 600845626 /nfs/dbraw/zinc/84/56/26/600845626.db2.gz MGYFDUADESQBJL-CQSZACIVSA-N -1 0 346.814 3.947 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)c2ncoc2-c2ccccc2)c2ccccc21 ZINC000739653185 600848808 /nfs/dbraw/zinc/84/88/08/600848808.db2.gz IWDIQJIUHCXSDJ-CQSZACIVSA-N -1 0 348.358 3.560 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000393125675 600850387 /nfs/dbraw/zinc/85/03/87/600850387.db2.gz UBSZXVJAFQFVEE-GFCCVEGCSA-N -1 0 349.308 3.924 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000237328032 600851062 /nfs/dbraw/zinc/85/10/62/600851062.db2.gz UBTJLHQAGHGZDG-KSSFIOAISA-N -1 0 343.398 3.727 20 0 EHADRM C[C@H](CC(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21)c1ccc(F)cc1 ZINC000736545553 600859487 /nfs/dbraw/zinc/85/94/87/600859487.db2.gz RYBHPXAMYVSTFR-UKRRQHHQSA-N -1 0 341.382 3.924 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)c2cc3ccccc3cc2O)c2ccccc21 ZINC000739647357 600862253 /nfs/dbraw/zinc/86/22/53/600862253.db2.gz UTMUWHDKVUALQC-OAHLLOKOSA-N -1 0 347.370 3.764 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)[C@H]2SCCc3sccc32)cc1 ZINC000833286448 600862288 /nfs/dbraw/zinc/86/22/88/600862288.db2.gz RXHBYCRDPBVMGZ-ZDUSSCGKSA-N -1 0 334.422 3.807 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)c2cc3ccccc3cc2O)c2ccccc21 ZINC000739647353 600862354 /nfs/dbraw/zinc/86/23/54/600862354.db2.gz UTMUWHDKVUALQC-HNNXBMFYSA-N -1 0 347.370 3.764 20 0 EHADRM Cc1nc(C2CCCC2)sc1C(=O)N(CCC(=O)[O-])CC(C)C ZINC000236763724 600863549 /nfs/dbraw/zinc/86/35/49/600863549.db2.gz UXIWFHFWROUVHO-UHFFFAOYSA-N -1 0 338.473 3.682 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000739641646 600863698 /nfs/dbraw/zinc/86/36/98/600863698.db2.gz KZSQQLXNXBQLDO-KBRIMQKVSA-N -1 0 339.366 3.534 20 0 EHADRM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2cccc(C(=O)[O-])c2)s1 ZINC000583024751 600863727 /nfs/dbraw/zinc/86/37/27/600863727.db2.gz IOTGHUSVHCJZDT-LLVKDONJSA-N -1 0 332.425 3.545 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)CCCNC(=O)[O-])c1ccc(Cl)cc1 ZINC000736251304 600864622 /nfs/dbraw/zinc/86/46/22/600864622.db2.gz PRKFXKSEWVKNOP-AWEZNQCLSA-N -1 0 340.851 3.981 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N[C@@H](C)C1CCCCC1)C(=O)[O-] ZINC000237633578 600865266 /nfs/dbraw/zinc/86/52/66/600865266.db2.gz LCIPGRDSZHJQNH-STQMWFEESA-N -1 0 335.469 3.950 20 0 EHADRM CCSCc1cccc(NC(=O)c2cccc(OCC(=O)[O-])c2)c1 ZINC000737231483 600866161 /nfs/dbraw/zinc/86/61/61/600866161.db2.gz LOHHAVNSYQAQHL-UHFFFAOYSA-N -1 0 345.420 3.655 20 0 EHADRM Cc1cc2cc(C(=O)N3Cc4ccccc4C[C@@H]3C(=O)[O-])oc2cc1C ZINC000237836082 600867636 /nfs/dbraw/zinc/86/76/36/600867636.db2.gz WWDNOEJJKMETIU-QGZVFWFLSA-N -1 0 349.386 3.701 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)c2ccc(C(C)C)cc2)c1OC ZINC000261990202 600875439 /nfs/dbraw/zinc/87/54/39/600875439.db2.gz LOEMQBRPWSAQDM-UHFFFAOYSA-N -1 0 343.379 3.778 20 0 EHADRM Cc1cc(F)cc(C(=O)NCc2c3ccccc3sc2C(=O)[O-])c1 ZINC000676019173 600875755 /nfs/dbraw/zinc/87/57/55/600875755.db2.gz UWLVGEMTMIUIKD-UHFFFAOYSA-N -1 0 343.379 3.977 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)C[C@H](C)CC(C)(C)C)c1OC ZINC000737852235 600875931 /nfs/dbraw/zinc/87/59/31/600875931.db2.gz QAYLPOJZNHBDTC-NSHDSACASA-N -1 0 337.416 3.803 20 0 EHADRM Cc1ccc(NC(=O)[C@H](C)CC(=O)c2ccccc2F)c(C(=O)[O-])c1 ZINC000832943325 600877432 /nfs/dbraw/zinc/87/74/32/600877432.db2.gz WALQPUZXQWEGKN-GFCCVEGCSA-N -1 0 343.354 3.680 20 0 EHADRM CC(=O)c1csc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000362786299 600879382 /nfs/dbraw/zinc/87/93/82/600879382.db2.gz UAWPUMQYZXHLIW-UHFFFAOYSA-N -1 0 331.393 3.565 20 0 EHADRM COc1cc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)ccc1C ZINC000261680106 600880736 /nfs/dbraw/zinc/88/07/36/600880736.db2.gz MPXOERJUTCFLLX-UHFFFAOYSA-N -1 0 327.380 3.618 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1 ZINC000327453362 600882223 /nfs/dbraw/zinc/88/22/23/600882223.db2.gz SIKLVAXOIVWWGM-UHFFFAOYSA-N -1 0 349.333 3.903 20 0 EHADRM O=C([O-])c1cccc(-c2nc(C[S@@](=O)C3CCCC3)cs2)c1 ZINC000833326223 600882375 /nfs/dbraw/zinc/88/23/75/600882375.db2.gz IYVDSSHQVCQPPH-JOCHJYFZSA-N -1 0 335.450 3.700 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)CCc2ccccc2F)cc1 ZINC000676025927 600883042 /nfs/dbraw/zinc/88/30/42/600883042.db2.gz SXXUWNBMKNUGIO-UHFFFAOYSA-N -1 0 329.371 3.759 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@H](C)CCc2ccccc2F)c1 ZINC000832178711 600882995 /nfs/dbraw/zinc/88/29/95/600882995.db2.gz KJXFTWIPANFHFR-GFCCVEGCSA-N -1 0 345.370 3.740 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NC2CCC(c3ccccc3)CC2)C1 ZINC000180111923 600886364 /nfs/dbraw/zinc/88/63/64/600886364.db2.gz AKDLKAYWYCNDIP-UMQBVGHOSA-N -1 0 329.440 3.720 20 0 EHADRM CCN(C(=O)c1ccc(OC2CCC2)cc1)c1ccccc1C(=O)[O-] ZINC000829602493 600887916 /nfs/dbraw/zinc/88/79/16/600887916.db2.gz PSVTWWPAWRBYII-UHFFFAOYSA-N -1 0 339.391 3.983 20 0 EHADRM CN(C(=O)c1ccc(OC2CCC2)cc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000830528179 600889744 /nfs/dbraw/zinc/88/97/44/600889744.db2.gz IGGRUCQOSZXLQD-SFHVURJKSA-N -1 0 339.391 3.516 20 0 EHADRM CC(C)Oc1ccccc1[C@H](C)NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000326495102 600892690 /nfs/dbraw/zinc/89/26/90/600892690.db2.gz GVCXWSCSGLYWMT-KKUMJFAQSA-N -1 0 333.428 3.542 20 0 EHADRM C[C@@H](CC(=O)Nc1cccc(NC(=O)[O-])c1)C(=O)c1cccc(F)c1 ZINC000827239861 600896889 /nfs/dbraw/zinc/89/68/89/600896889.db2.gz FAAPQUBZCPQETE-NSHDSACASA-N -1 0 344.342 3.763 20 0 EHADRM Cc1cc(C)c2cc(C(=O)Nc3ccc(C(=O)[O-])s3)sc2n1 ZINC000832874057 600902365 /nfs/dbraw/zinc/90/23/65/600902365.db2.gz CTMBSVSGHIIIIK-UHFFFAOYSA-N -1 0 332.406 3.925 20 0 EHADRM C[C@@H](CC(=O)NC(C)(C)CCC(=O)[O-])c1ccccc1C(F)(F)F ZINC000237387790 600905467 /nfs/dbraw/zinc/90/54/67/600905467.db2.gz HOQWHXCGQYDYFA-NSHDSACASA-N -1 0 345.361 3.959 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)c2)[nH]c1C ZINC000832991515 600908398 /nfs/dbraw/zinc/90/83/98/600908398.db2.gz KIFFALVZBXRXBZ-GJZGRUSLSA-N -1 0 341.411 3.523 20 0 EHADRM CCCC(=O)Nc1cccc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1C ZINC000829183998 600911389 /nfs/dbraw/zinc/91/13/89/600911389.db2.gz DUFCGJSWOOGHFB-UONOGXRCSA-N -1 0 346.427 3.563 20 0 EHADRM Cc1ccc([C@H]2CCCCN2C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)o1 ZINC000738263862 600914728 /nfs/dbraw/zinc/91/47/28/600914728.db2.gz KCXUKJIAVQQWND-CYBMUJFWSA-N -1 0 330.384 3.599 20 0 EHADRM CCOc1ccc(CN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C(C)C)cc1 ZINC000830070750 600915522 /nfs/dbraw/zinc/91/55/22/600915522.db2.gz GUSBEBSWCKUSAG-SJORKVTESA-N -1 0 347.455 3.713 20 0 EHADRM CC(C)C[C@@H](CNC(=O)c1ccc(-c2ccccc2F)o1)C(=O)[O-] ZINC000262437781 600926482 /nfs/dbraw/zinc/92/64/82/600926482.db2.gz FVNBBLMXKHMQCN-LBPRGKRZSA-N -1 0 333.359 3.562 20 0 EHADRM Cc1cccc([C@H]2CCCCN2C(=O)c2ccc(C(=O)[O-])nc2)c1C ZINC000237797031 600932546 /nfs/dbraw/zinc/93/25/46/600932546.db2.gz GQIFYPJDRPVGOX-GOSISDBHSA-N -1 0 338.407 3.764 20 0 EHADRM CCCc1c(C(=O)NC[C@@H](C)Cc2cccs2)[nH]c(C)c1C(=O)[O-] ZINC000737040644 600934280 /nfs/dbraw/zinc/93/42/80/600934280.db2.gz LSROQYYBRFOYSN-NSHDSACASA-N -1 0 348.468 3.644 20 0 EHADRM CCCC[C@H](Sc1nnc(COc2cccc(C)c2)o1)C(=O)[O-] ZINC000736983560 600934901 /nfs/dbraw/zinc/93/49/01/600934901.db2.gz APLFKUFYUGIDFC-ZDUSSCGKSA-N -1 0 336.413 3.693 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000825942280 600946063 /nfs/dbraw/zinc/94/60/63/600946063.db2.gz QANSJHPFJMMYLC-JTQLQIEISA-N -1 0 346.766 3.950 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)[C@H]2C[C@]23CCCc2ccccc23)c1 ZINC000833268211 600946853 /nfs/dbraw/zinc/94/68/53/600946853.db2.gz VVHKAOXIXAYDRE-NQIIRXRSSA-N -1 0 336.387 3.513 20 0 EHADRM C[C@H](C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1)c1cccc(F)c1 ZINC000826061165 600947981 /nfs/dbraw/zinc/94/79/81/600947981.db2.gz CCBOGXOGZYYRJY-BONVTDFDSA-N -1 0 336.746 3.952 20 0 EHADRM Cc1ccc([C@@H]2CSCCN2C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000180011079 600956232 /nfs/dbraw/zinc/95/62/32/600956232.db2.gz JPBGEORKBWFGJL-IKGGRYGDSA-N -1 0 347.480 3.503 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)Nc3ncc(C(=O)[O-])s3)o2)cc1 ZINC000830229545 600967400 /nfs/dbraw/zinc/96/74/00/600967400.db2.gz XJKTXUOSVWWPAY-UHFFFAOYSA-N -1 0 342.376 3.916 20 0 EHADRM Cc1ccc([C@H]2CCCCN2CC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)o1 ZINC000738265971 600968134 /nfs/dbraw/zinc/96/81/34/600968134.db2.gz SESLHIIHMMLQKJ-CQSZACIVSA-N -1 0 344.411 3.641 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000245637192 600968529 /nfs/dbraw/zinc/96/85/29/600968529.db2.gz ACYBLBQVBFHOBA-KURKYZTESA-N -1 0 329.440 3.940 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)C1CCC(c2ccccc2)CC1 ZINC000679397396 600971135 /nfs/dbraw/zinc/97/11/35/600971135.db2.gz LQJODNWISFCSGL-ABHNRTSZSA-N -1 0 329.440 3.816 20 0 EHADRM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000832931281 600974003 /nfs/dbraw/zinc/97/40/03/600974003.db2.gz VQWBATGVINQOIQ-VJANTYMQSA-N -1 0 343.467 3.981 20 0 EHADRM CCCn1ccc2ccc(NC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)cc21 ZINC000829585452 600978781 /nfs/dbraw/zinc/97/87/81/600978781.db2.gz XZAKLRJDHLATAV-CABCVRRESA-N -1 0 328.412 3.881 20 0 EHADRM CN(Cc1nc2ccccc2s1)[C@@H](C(=O)[O-])c1ccccc1F ZINC000830879252 600983905 /nfs/dbraw/zinc/98/39/05/600983905.db2.gz AJNQWUVYZSIBAS-MRXNPFEDSA-N -1 0 330.384 3.693 20 0 EHADRM Cc1cc(C(=O)[C@@H](C)SC[C@@H](C)C(=O)[O-])c(C)n1Cc1ccco1 ZINC000738320276 600987085 /nfs/dbraw/zinc/98/70/85/600987085.db2.gz QYWJEUFMPUONHT-BXUZGUMPSA-N -1 0 349.452 3.771 20 0 EHADRM Cc1cc(NC(=O)c2ncoc2-c2ccc(C)cc2)sc1C(=O)[O-] ZINC000738250127 600996798 /nfs/dbraw/zinc/99/67/98/600996798.db2.gz GQCSWOYIEBEYMW-UHFFFAOYSA-N -1 0 342.376 3.970 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NC[C@H](C)c1ccc(F)cc1F ZINC000832914665 600998590 /nfs/dbraw/zinc/99/85/90/600998590.db2.gz CUWOALXTYUYIJG-NSHDSACASA-N -1 0 348.349 3.897 20 0 EHADRM CCC[C@](C)(NC(=O)c1sc2ccc(OC)cc2c1C)C(=O)[O-] ZINC000236850998 601001077 /nfs/dbraw/zinc/00/10/77/601001077.db2.gz AACGIDDNMQXSAZ-KRWDZBQOSA-N -1 0 335.425 3.592 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)N2CCCC[C@H]2CC(=O)[O-])c1 ZINC000679396771 601004881 /nfs/dbraw/zinc/00/48/81/601004881.db2.gz NHFJBCCPLIZTGM-INIZCTEOSA-N -1 0 331.412 3.501 20 0 EHADRM C[C@H](C(=O)N1C[C@H](C(=O)[O-])c2ccccc21)c1cccc(Cl)c1 ZINC000439716239 601011118 /nfs/dbraw/zinc/01/11/18/601011118.db2.gz HGWVZGOHWNHHKT-NHYWBVRUSA-N -1 0 329.783 3.659 20 0 EHADRM CCSCC[C@H](C)N(C)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000830164074 601011786 /nfs/dbraw/zinc/01/17/86/601011786.db2.gz PDLABKBSEARHMK-JTQLQIEISA-N -1 0 328.409 3.519 20 0 EHADRM C[C@@H]1CCC[C@H](C)CN1C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000828233469 601012608 /nfs/dbraw/zinc/01/26/08/601012608.db2.gz PPTFCNYNXHVUJI-VHSXEESVSA-N -1 0 326.343 3.705 20 0 EHADRM C[C@@H]1CN([C@H](C(=O)[O-])c2ccccc2F)C[C@@H](c2ccc(F)cc2)O1 ZINC000568642088 601016779 /nfs/dbraw/zinc/01/67/79/601016779.db2.gz XEWQPNXNABPUGK-UUWFMWQGSA-N -1 0 347.361 3.553 20 0 EHADRM C[C@@H]1CN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C[C@@H](C)S1 ZINC000571930010 601024812 /nfs/dbraw/zinc/02/48/12/601024812.db2.gz MJMOYSLBUQKMHK-VXGBXAGGSA-N -1 0 348.493 3.834 20 0 EHADRM CCCOc1ccc(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])c(C)c1 ZINC000424461822 601027510 /nfs/dbraw/zinc/02/75/10/601027510.db2.gz ANGWUTFPHQNTNO-CQSZACIVSA-N -1 0 336.432 3.652 20 0 EHADRM O=C([O-])CCN(C(=O)c1ccc2ncsc2c1)c1cccc(F)c1 ZINC000739712838 601028095 /nfs/dbraw/zinc/02/80/95/601028095.db2.gz SIFVEFHHPFRMMC-UHFFFAOYSA-N -1 0 344.367 3.557 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)N[C@H]2C[C@@]2(C)c2ccccc2)cc1 ZINC000830514197 601030220 /nfs/dbraw/zinc/03/02/20/601030220.db2.gz OTKDIJPWSOSMIX-LPHOPBHVSA-N -1 0 339.395 3.653 20 0 EHADRM CC[C@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000828900387 601031233 /nfs/dbraw/zinc/03/12/33/601031233.db2.gz HFPUXUULSYNLSK-GOSISDBHSA-N -1 0 340.423 3.799 20 0 EHADRM C[C@@H]1C[C@@H]1[C@@H](NC(=O)CCCN(C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000736766305 601034276 /nfs/dbraw/zinc/03/42/76/601034276.db2.gz RBABKQWERSJVDR-WPGHFRTFSA-N -1 0 338.835 3.543 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)N[C@@H]2C[C@H]2C2CCCCC2)cc1 ZINC000833239804 601035614 /nfs/dbraw/zinc/03/56/14/601035614.db2.gz WJYFFKOUFJQENJ-DLBZAZTESA-N -1 0 346.427 3.630 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc(C(=O)[O-])cc1F)SC ZINC000319006147 601044150 /nfs/dbraw/zinc/04/41/50/601044150.db2.gz RNJPXRXNHRULPU-UHFFFAOYSA-N -1 0 328.409 3.567 20 0 EHADRM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000828121032 601045904 /nfs/dbraw/zinc/04/59/04/601045904.db2.gz BGHIKWBZBPXGJB-XLIONFOSSA-N -1 0 338.407 3.556 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)N2C[C@@H](C)[C@@H]2c2ccccc2)c(C)c1C(=O)[O-] ZINC000832843335 601046005 /nfs/dbraw/zinc/04/60/05/601046005.db2.gz UNRYRMVTMXDNKM-CDNVCLAFSA-N -1 0 340.423 3.594 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000833238984 601047147 /nfs/dbraw/zinc/04/71/47/601047147.db2.gz WBMMLJPNSJKWSP-IAGOWNOFSA-N -1 0 330.428 3.794 20 0 EHADRM C[C@@H]1Cc2ccccc2CN1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000828516839 601047555 /nfs/dbraw/zinc/04/75/55/601047555.db2.gz ULZFATKKAWELTB-CQSZACIVSA-N -1 0 338.407 3.683 20 0 EHADRM CN(Cc1ccc(NC(=O)N2CCC3(CCCC3)C2)cc1)C(=O)[O-] ZINC000830836357 601052021 /nfs/dbraw/zinc/05/20/21/601052021.db2.gz VJQRXTNEAGIMCI-UHFFFAOYSA-N -1 0 331.416 3.594 20 0 EHADRM CCC[C@@](C)(NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000362517439 601056638 /nfs/dbraw/zinc/05/66/38/601056638.db2.gz ZSXMUOBPJCTIAJ-RFAUZJTJSA-N -1 0 332.227 3.857 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)s1 ZINC000833157061 601056914 /nfs/dbraw/zinc/05/69/14/601056914.db2.gz GAYCAMUHCINZNU-UHFFFAOYSA-N -1 0 330.409 3.689 20 0 EHADRM Cc1ccc(OCCCC(=O)O[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000832952535 601057319 /nfs/dbraw/zinc/05/73/19/601057319.db2.gz PSVJCJZEMYARKG-SFHVURJKSA-N -1 0 346.354 3.662 20 0 EHADRM Cc1ccc(NC(=O)C[C@@H]2CCOc3ccccc32)cc1C(=O)[O-] ZINC000237684488 601064584 /nfs/dbraw/zinc/06/45/84/601064584.db2.gz GIDPRSMDZVLIKT-ZDUSSCGKSA-N -1 0 325.364 3.588 20 0 EHADRM Cc1ccc(NC(=O)c2cc(-c3cccc(F)c3)no2)cc1C(=O)[O-] ZINC000832948199 601065320 /nfs/dbraw/zinc/06/53/20/601065320.db2.gz VXAGNBYJJYVROB-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM Cc1c(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)cnn1-c1cccc(C)c1 ZINC000362784650 601067355 /nfs/dbraw/zinc/06/73/55/601067355.db2.gz DLDWNEZHNSONTH-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2SCCc3ccccc32)cc1C(=O)[O-] ZINC000237697268 601067904 /nfs/dbraw/zinc/06/79/04/601067904.db2.gz FOLAZQRKOIKRHL-MRXNPFEDSA-N -1 0 327.405 3.662 20 0 EHADRM CC(C)c1ccc(OCC(=O)O[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000827129215 601075688 /nfs/dbraw/zinc/07/56/88/601075688.db2.gz JLMSZJBODIYIQL-SFHVURJKSA-N -1 0 346.354 3.697 20 0 EHADRM C[C@H](C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1)c1ccsc1 ZINC000826027139 601076807 /nfs/dbraw/zinc/07/68/07/601076807.db2.gz UHRQHYCTZVLAGL-QMMMGPOBSA-N -1 0 338.454 3.943 20 0 EHADRM COCc1ccccc1C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC000831822173 601077501 /nfs/dbraw/zinc/07/75/01/601077501.db2.gz USZQLOPVOYEMCR-UHFFFAOYSA-N -1 0 348.424 3.538 20 0 EHADRM Cc1cccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1C ZINC000832963749 601078643 /nfs/dbraw/zinc/07/86/43/601078643.db2.gz LSGJHOWKTZCOCK-WMZOPIPTSA-N -1 0 329.440 3.799 20 0 EHADRM CSCCCCC(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC000832762959 601078919 /nfs/dbraw/zinc/07/89/19/601078919.db2.gz LUKHIJSQTOEHNM-UHFFFAOYSA-N -1 0 330.475 3.611 20 0 EHADRM CSCc1cc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)ccc1F ZINC000776630404 601080574 /nfs/dbraw/zinc/08/05/74/601080574.db2.gz JSTRBHGKOWKELM-UHFFFAOYSA-N -1 0 337.347 3.778 20 0 EHADRM CSCc1cc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)ccc1F ZINC000192955892 601082547 /nfs/dbraw/zinc/08/25/47/601082547.db2.gz VMWGWEGLFLWQQV-CQSZACIVSA-N -1 0 345.395 3.517 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1ccc(Cl)cc1 ZINC000833180798 601084641 /nfs/dbraw/zinc/08/46/41/601084641.db2.gz XBQMKFLURREWFP-ZBFHGGJFSA-N -1 0 335.831 3.836 20 0 EHADRM C[C@H](Cc1cccs1)NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000325333296 601086844 /nfs/dbraw/zinc/08/68/44/601086844.db2.gz HWLGEUKSUUNCTB-GFCCVEGCSA-N -1 0 346.452 3.863 20 0 EHADRM Cc1c(Cl)c(C(=O)[O-])nn1CN1CCC[C@@H]1c1cccc(C)c1C ZINC000738698653 601090501 /nfs/dbraw/zinc/09/05/01/601090501.db2.gz SDFBHRNROFNCDT-OAHLLOKOSA-N -1 0 347.846 3.955 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)/C=C\c1ccsc1 ZINC000833176187 601091319 /nfs/dbraw/zinc/09/13/19/601091319.db2.gz BLGKZNMJNAVBPQ-KQLNYGGHSA-N -1 0 333.453 3.643 20 0 EHADRM Cc1c(Cl)c(C(=O)[O-])nn1CN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000738288821 601092436 /nfs/dbraw/zinc/09/24/36/601092436.db2.gz JMRKCVAMBBSSBC-GFCCVEGCSA-N -1 0 340.210 3.601 20 0 EHADRM COc1ccccc1[C@H](CC(C)C)NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000263561698 601106991 /nfs/dbraw/zinc/10/69/91/601106991.db2.gz CGXFIQXRWYNAFB-ZOBUZTSGSA-N -1 0 347.455 3.790 20 0 EHADRM Cc1ccc(-c2cnc(COC(=O)c3cccc(C(=O)[O-])c3)o2)cc1 ZINC000832907644 601111255 /nfs/dbraw/zinc/11/12/55/601111255.db2.gz ZIZSPJFHKDLPNO-UHFFFAOYSA-N -1 0 337.331 3.705 20 0 EHADRM O=C([O-])c1cc(NC(=O)Cc2coc3cc(F)ccc23)c(F)cc1F ZINC000833120207 601126859 /nfs/dbraw/zinc/12/68/59/601126859.db2.gz RDKQBSUPPANACW-UHFFFAOYSA-N -1 0 349.264 3.730 20 0 EHADRM CCS[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000830156932 601128837 /nfs/dbraw/zinc/12/88/37/601128837.db2.gz AWFHYXMSCGEYBF-KGLIPLIRSA-N -1 0 340.420 3.710 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc(Cl)ccc1OC(C)C ZINC000828634580 601133485 /nfs/dbraw/zinc/13/34/85/601133485.db2.gz SQOFASKJHYTRCH-MRXNPFEDSA-N -1 0 327.808 3.500 20 0 EHADRM O=C([O-])CN(C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(F)c1 ZINC000833242594 601141740 /nfs/dbraw/zinc/14/17/40/601141740.db2.gz PRLLWAIGGCHKRJ-QWRGUYRKSA-N -1 0 347.308 3.612 20 0 EHADRM COc1ccc([C@H](C)N(C)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000832221300 601144935 /nfs/dbraw/zinc/14/49/35/601144935.db2.gz XYNDBIQJWCWGMC-ZDUSSCGKSA-N -1 0 342.395 3.927 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC000827427375 601145458 /nfs/dbraw/zinc/14/54/58/601145458.db2.gz HCZMEIBOBLHWCF-ZDUSSCGKSA-N -1 0 347.361 3.651 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(C)c(C(=O)[O-])c1)c1nc(C)cs1 ZINC000828951514 601145619 /nfs/dbraw/zinc/14/56/19/601145619.db2.gz NCLAGECCEHLPCS-CYBMUJFWSA-N -1 0 333.413 3.731 20 0 EHADRM O=C([O-])CCN(Cc1cnc(Cl)s1)Cc1cccc(F)c1F ZINC000833236696 601146213 /nfs/dbraw/zinc/14/62/13/601146213.db2.gz XORNEMMPOFPVHB-UHFFFAOYSA-N -1 0 346.786 3.552 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC000827423049 601147189 /nfs/dbraw/zinc/14/71/89/601147189.db2.gz WMDKYBIOFQXBGW-CYBMUJFWSA-N -1 0 347.361 3.651 20 0 EHADRM C[C@@H]1CCN(C(=O)NC2CCC(C(=O)[O-])CC2)[C@H]1c1cccc(F)c1 ZINC000263514241 601149742 /nfs/dbraw/zinc/14/97/42/601149742.db2.gz ZUSMPPSKWADUNL-PSPNYPNSSA-N -1 0 348.418 3.562 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(Cl)ccc2OC(F)F)s1 ZINC000833318999 601151275 /nfs/dbraw/zinc/15/12/75/601151275.db2.gz AZIUKGQJUWODLT-UHFFFAOYSA-N -1 0 347.726 3.953 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc(C(F)(F)F)c2F)c(F)c1 ZINC000325288889 601153718 /nfs/dbraw/zinc/15/37/18/601153718.db2.gz KRFIOFDSSZEKDU-UHFFFAOYSA-N -1 0 345.223 3.934 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCCc3cc(Cl)cc(F)c32)C1 ZINC000833184376 601156125 /nfs/dbraw/zinc/15/61/25/601156125.db2.gz GBTHSRJODBCRKG-NWDGAFQWSA-N -1 0 339.794 3.649 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)ccc1C(F)(F)F ZINC000832893532 601160092 /nfs/dbraw/zinc/16/00/92/601160092.db2.gz OULQVIPPOMPLQQ-GHMZBOCLSA-N -1 0 329.318 3.843 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000237562080 601167384 /nfs/dbraw/zinc/16/73/84/601167384.db2.gz UJGAIINBOMXPJP-HBUWYVDXSA-N -1 0 343.398 3.583 20 0 EHADRM Cc1ccc(CCCC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])s1 ZINC000237605007 601168156 /nfs/dbraw/zinc/16/81/56/601168156.db2.gz WPNKVOPQKWNUMQ-KSSFIOAISA-N -1 0 345.464 3.957 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000531999898 601172313 /nfs/dbraw/zinc/17/23/13/601172313.db2.gz DAXKBIQPRVTHDE-FZMZJTMJSA-N -1 0 346.452 3.767 20 0 EHADRM C[C@@H](NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)[C@@H](C)c1ccccc1 ZINC000827664014 601176556 /nfs/dbraw/zinc/17/65/56/601176556.db2.gz BNRHKUYWXCQRJP-GHMZBOCLSA-N -1 0 348.349 3.977 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000532603048 601187513 /nfs/dbraw/zinc/18/75/13/601187513.db2.gz DGEBSQAUSMPGAQ-CQSZACIVSA-N -1 0 335.419 3.688 20 0 EHADRM Nc1cc(Cl)c(Cl)c(C(=O)O[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000833090405 601190075 /nfs/dbraw/zinc/19/00/75/601190075.db2.gz KERLDFPQJDNQHA-CYBMUJFWSA-N -1 0 340.162 3.558 20 0 EHADRM Cc1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)c(F)cc1F ZINC000832868029 601190270 /nfs/dbraw/zinc/19/02/70/601190270.db2.gz IWHDOAFQAHQWRI-AWEZNQCLSA-N -1 0 340.709 3.909 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000832992466 601194476 /nfs/dbraw/zinc/19/44/76/601194476.db2.gz LREGCSGEGDKORV-NSHDSACASA-N -1 0 341.319 3.859 20 0 EHADRM CO[C@@H](C)c1nc(CNc2cc(Cl)cc(C(=O)[O-])c2)cs1 ZINC000831500573 601223266 /nfs/dbraw/zinc/22/32/66/601223266.db2.gz JZIHVFBSSJARPV-QMMMGPOBSA-N -1 0 326.805 3.814 20 0 EHADRM Cc1nc(Cl)sc1C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000833000756 601226252 /nfs/dbraw/zinc/22/62/52/601226252.db2.gz NWWLBGQNWRZJDH-UHFFFAOYSA-N -1 0 331.180 3.709 20 0 EHADRM C[C@H](c1ccc(F)cc1)N(C)C(=O)COc1ccccc1NC(=O)[O-] ZINC000827934750 601228432 /nfs/dbraw/zinc/22/84/32/601228432.db2.gz JHAMHRDBNDSWLA-GFCCVEGCSA-N -1 0 346.358 3.514 20 0 EHADRM CC[C@@](C)(NC(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2)C(=O)[O-] ZINC000828686092 601257332 /nfs/dbraw/zinc/25/73/32/601257332.db2.gz ULACKODNKRTGJB-GMLRUTOWSA-N -1 0 347.377 3.505 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2c(F)cccc2Br)s1 ZINC000160716078 601275480 /nfs/dbraw/zinc/27/54/80/601275480.db2.gz OEVVPLVTFOIOLF-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM CC(C)[C@H](C(=O)Nc1ncc(C(=O)[O-])s1)c1cccc(Cl)c1 ZINC000826676799 601275771 /nfs/dbraw/zinc/27/57/71/601275771.db2.gz KPOXTCYJCUSIEW-LBPRGKRZSA-N -1 0 338.816 3.873 20 0 EHADRM CC(C)=C(C)C(=O)N[C@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000826642283 601279074 /nfs/dbraw/zinc/27/90/74/601279074.db2.gz VJPSFKDPSWOLOC-CYBMUJFWSA-N -1 0 345.317 3.574 20 0 EHADRM CCCCN(C(=O)c1ccnc(C(=O)[O-])c1)[C@H](C)c1ccccc1 ZINC000829373020 601280964 /nfs/dbraw/zinc/28/09/64/601280964.db2.gz BYJMRTFLWLNQCZ-CQSZACIVSA-N -1 0 326.396 3.783 20 0 EHADRM O=C([O-])c1cc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)ccn1 ZINC000238175691 601284145 /nfs/dbraw/zinc/28/41/45/601284145.db2.gz KXVXDIZJNMHHFW-INIZCTEOSA-N -1 0 344.798 3.704 20 0 EHADRM CC(=Cc1ccc(F)cc1)C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000825798256 601286146 /nfs/dbraw/zinc/28/61/46/601286146.db2.gz FJYDNIUHNOJUDP-SEYXRHQNSA-N -1 0 342.370 3.678 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)c3ccnc(C(=O)[O-])c3)cc2)nc1 ZINC000832953161 601287580 /nfs/dbraw/zinc/28/75/80/601287580.db2.gz ATECITQKOVOHSQ-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM C[C@@H]1C[C@H]1[C@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000537364923 601290973 /nfs/dbraw/zinc/29/09/73/601290973.db2.gz YSFKVORJRCCOOH-QSGSBWRWSA-N -1 0 344.798 3.560 20 0 EHADRM CCC(CC)[C@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1ccccc1 ZINC000828854597 601291785 /nfs/dbraw/zinc/29/17/85/601291785.db2.gz MGJFLXQDDBXWRG-KRWDZBQOSA-N -1 0 326.396 3.687 20 0 EHADRM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1ccc(C(=O)[O-])nc1 ZINC000237572927 601292016 /nfs/dbraw/zinc/29/20/16/601292016.db2.gz XRRGLYGXHQYZBH-VXGBXAGGSA-N -1 0 346.814 3.697 20 0 EHADRM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1ccnc(C(=O)[O-])c1 ZINC000237573127 601293149 /nfs/dbraw/zinc/29/31/49/601293149.db2.gz AKGIIJUHQWTYLW-VXGBXAGGSA-N -1 0 346.814 3.697 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Cc1c(F)cccc1Cl)c1ccccc1 ZINC000237743971 601295797 /nfs/dbraw/zinc/29/57/97/601295797.db2.gz MNFDLMQAVMXPRN-DIFFPNOSSA-N -1 0 349.789 3.600 20 0 EHADRM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)NCCCCC(=O)[O-] ZINC000666559450 601302873 /nfs/dbraw/zinc/30/28/73/601302873.db2.gz VSRNOPPPSRVTLK-CHWSQXEVSA-N -1 0 340.851 3.728 20 0 EHADRM Cc1ccc(F)cc1NC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000832934649 601308852 /nfs/dbraw/zinc/30/88/52/601308852.db2.gz OMHPKTHYTBIJPJ-HNNXBMFYSA-N -1 0 334.322 3.611 20 0 EHADRM CC(C)[C@H](C(=O)Nc1cc(C(=O)[O-])n(C)c1)c1cccc(Cl)c1 ZINC000826677642 601314455 /nfs/dbraw/zinc/31/44/55/601314455.db2.gz WJWOOULVRKGVBB-HNNXBMFYSA-N -1 0 334.803 3.755 20 0 EHADRM Cn1c(/C(Cl)=C/c2ccc(C(=O)[O-])[nH]2)nc2cc(Cl)ccc21 ZINC000833038349 601331970 /nfs/dbraw/zinc/33/19/70/601331970.db2.gz CKPYSDRTNKGLRF-YFHOEESVSA-N -1 0 336.178 3.990 20 0 EHADRM Cc1ccc(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)c(F)c1 ZINC000832913706 601332823 /nfs/dbraw/zinc/33/28/23/601332823.db2.gz RIWWHGZIQKYDIP-UHFFFAOYSA-N -1 0 336.388 3.839 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCc1ncc(-c2cccc(F)c2)o1 ZINC000831918085 601343687 /nfs/dbraw/zinc/34/36/87/601343687.db2.gz KODGUFDBTBMNQK-UHFFFAOYSA-N -1 0 343.310 3.767 20 0 EHADRM C[C@@H](S[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1)C(=O)[O-] ZINC000827902427 601345931 /nfs/dbraw/zinc/34/59/31/601345931.db2.gz KRVRZSQWYZTGIS-DTWKUNHWSA-N -1 0 326.805 3.581 20 0 EHADRM O=C([O-])CC1(NC(=S)Nc2ccc(Cl)cc2Cl)CCC1 ZINC000833206247 601394463 /nfs/dbraw/zinc/39/44/63/601394463.db2.gz YIUHVLSQBAHDEX-UHFFFAOYSA-N -1 0 333.240 3.677 20 0 EHADRM COC(=O)c1oc(CSc2nc3ccc(C(=O)[O-])cc3o2)cc1C ZINC000831470643 601408464 /nfs/dbraw/zinc/40/84/64/601408464.db2.gz JVONTKJBVHGAOS-UHFFFAOYSA-N -1 0 347.348 3.506 20 0 EHADRM Cc1cc([C@H](C)NC(=O)CCc2ccc(C(=O)[O-])cc2)ccc1F ZINC000832870568 601428483 /nfs/dbraw/zinc/42/84/83/601428483.db2.gz KGZIFPSVARWSCG-ZDUSSCGKSA-N -1 0 329.371 3.642 20 0 EHADRM O=C([O-])CC1(NC(=O)c2ccc(Oc3ccc(F)cc3)cc2)CCC1 ZINC000653322477 601431383 /nfs/dbraw/zinc/43/13/83/601431383.db2.gz WSBVMIGNYMWDPX-UHFFFAOYSA-N -1 0 343.354 3.745 20 0 EHADRM O=C([O-])CC1(NC(=O)c2ccc(Oc3ccccc3)cc2)CCC1 ZINC000261638010 601437278 /nfs/dbraw/zinc/43/72/78/601437278.db2.gz IAECXSXGBJYHEE-UHFFFAOYSA-N -1 0 325.364 3.606 20 0 EHADRM C/C(=C\C(=O)NC1(CC(=O)[O-])CCC1)c1ccc(C(F)(F)F)cc1 ZINC000776630421 601438462 /nfs/dbraw/zinc/43/84/62/601438462.db2.gz VOYMWJSASQEZID-PKNBQFBNSA-N -1 0 341.329 3.622 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000829014434 601445821 /nfs/dbraw/zinc/44/58/21/601445821.db2.gz GWLOMXCLIFHQHA-HNNXBMFYSA-N -1 0 349.333 3.768 20 0 EHADRM Cc1nc(CCCC(=O)Oc2ccc(Cl)cc2C(=O)[O-])cs1 ZINC000832998095 601447120 /nfs/dbraw/zinc/44/71/20/601447120.db2.gz KBMRJOUGWLQWGI-UHFFFAOYSA-N -1 0 339.800 3.731 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000237107963 601457346 /nfs/dbraw/zinc/45/73/46/601457346.db2.gz JMQZNTNBVKXESW-MEDUHNTESA-N -1 0 345.361 3.644 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)c1c(F)cccc1Cl ZINC000830390003 601458316 /nfs/dbraw/zinc/45/83/16/601458316.db2.gz ZRKXOBYOMARVKG-UHFFFAOYSA-N -1 0 326.707 3.690 20 0 EHADRM Cc1ccc(CCCC(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])s1 ZINC000262059557 601473016 /nfs/dbraw/zinc/47/30/16/601473016.db2.gz BKMGRYJDHKQHJM-SFHVURJKSA-N -1 0 343.448 3.590 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)[C@H](C)c1ccc(Cl)s1 ZINC000833026249 601475547 /nfs/dbraw/zinc/47/55/47/601475547.db2.gz ZEIUFBJABHDTKO-SSDOTTSWSA-N -1 0 328.773 3.848 20 0 EHADRM O=C([O-])c1ccc2c(=O)[nH]c(-c3cccc(-c4cscn4)c3)nc2c1 ZINC000833324972 601481609 /nfs/dbraw/zinc/48/16/09/601481609.db2.gz IIKQMFIZWQGCBC-UHFFFAOYSA-N -1 0 349.371 3.824 20 0 EHADRM CC[C@H](CC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-])c1ccccc1 ZINC000262515337 601495552 /nfs/dbraw/zinc/49/55/52/601495552.db2.gz LEEWIUJQYDCHKN-QRWLVFNGSA-N -1 0 337.419 3.781 20 0 EHADRM Cc1ccc(/C=C\CC(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])cc1 ZINC000678978838 601503434 /nfs/dbraw/zinc/50/34/34/601503434.db2.gz HYXXEDUNNWDPEH-FBQMEGEOSA-N -1 0 335.403 3.609 20 0 EHADRM Cc1ccc(/C=C/CC(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)cc1 ZINC000832927466 601506468 /nfs/dbraw/zinc/50/64/68/601506468.db2.gz BYUPZJJUCPIDBD-NSCUHMNNSA-N -1 0 342.420 3.749 20 0 EHADRM CN(CCCC(=O)N1CCCCC[C@H]1/C=C\c1ccccc1)C(=O)[O-] ZINC000830759302 601544761 /nfs/dbraw/zinc/54/47/61/601544761.db2.gz PSMLUHXSULLZAI-HWOXTHGCSA-N -1 0 344.455 3.861 20 0 EHADRM C[C@H]1CN(c2ncnc3sc(-c4ccccc4)cc32)C[C@H]1C(=O)[O-] ZINC000828499555 601562568 /nfs/dbraw/zinc/56/25/68/601562568.db2.gz CCGTUUFERDEUAS-SMDDNHRTSA-N -1 0 339.420 3.515 20 0 EHADRM CCn1c2ccccc2nc1[C@@H]1CCCN1Cc1ccoc1C(=O)[O-] ZINC000518990439 601568212 /nfs/dbraw/zinc/56/82/12/601568212.db2.gz GUUCKZSENZIAQE-INIZCTEOSA-N -1 0 339.395 3.685 20 0 EHADRM C[C@@H](Sc1ccccn1)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000827922408 601572296 /nfs/dbraw/zinc/57/22/96/601572296.db2.gz QFJARLPXRFWPTA-SECBINFHSA-N -1 0 336.800 3.553 20 0 EHADRM C[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1)c1cccc(F)c1 ZINC000537365652 601585896 /nfs/dbraw/zinc/58/58/96/601585896.db2.gz BONDPMXYGWLTGV-BMIGLBTASA-N -1 0 335.762 3.525 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000776650844 601585914 /nfs/dbraw/zinc/58/59/14/601585914.db2.gz NCZKZDOTHIRWPB-BDJLRTHQSA-N -1 0 349.789 3.600 20 0 EHADRM CSc1ccsc1C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000832790794 601586723 /nfs/dbraw/zinc/58/67/23/601586723.db2.gz ULAJXCZTBAZSCR-NSHDSACASA-N -1 0 341.841 3.679 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2sc3ccccc3c2s1)C1CC1 ZINC000262082814 601589514 /nfs/dbraw/zinc/58/95/14/601589514.db2.gz BJEXZRNHPXXVEQ-CYBMUJFWSA-N -1 0 331.418 3.709 20 0 EHADRM O=C([O-])[C@@H](NC(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1)C1CC1 ZINC000767044921 601595617 /nfs/dbraw/zinc/59/56/17/601595617.db2.gz JBOFICGQPURAGQ-PXAMLJHWSA-N -1 0 345.395 3.547 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CSc1cccc2cccc(Cl)c21)C1CC1 ZINC000833116319 601596447 /nfs/dbraw/zinc/59/64/47/601596447.db2.gz PUOKMUQCNHAAHD-INIZCTEOSA-N -1 0 349.839 3.565 20 0 EHADRM Cc1cc(C)c(C)c(OCCC(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000237809293 601613622 /nfs/dbraw/zinc/61/36/22/601613622.db2.gz OETFKFJQRKWNND-UHFFFAOYSA-N -1 0 341.407 3.647 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)Cn1ccc2ccc(Cl)cc21 ZINC000362699219 601614046 /nfs/dbraw/zinc/61/40/46/601614046.db2.gz NNZARUHOFLHCSR-UHFFFAOYSA-N -1 0 342.782 3.561 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)CSc1ccccc1Cl ZINC000238077130 601617795 /nfs/dbraw/zinc/61/77/95/601617795.db2.gz GABCLHWZDANEEI-UHFFFAOYSA-N -1 0 335.812 3.698 20 0 EHADRM CCCCc1ccc(N(C)C(=O)c2cccc(OCC(=O)[O-])c2)cc1 ZINC000262091261 601618766 /nfs/dbraw/zinc/61/87/66/601618766.db2.gz HYMZLQFAEJTNDZ-UHFFFAOYSA-N -1 0 341.407 3.769 20 0 EHADRM C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)c1ccsc1 ZINC000262065671 601619582 /nfs/dbraw/zinc/61/95/82/601619582.db2.gz BPXXATXGFSSXAO-HZMBPMFUSA-N -1 0 337.828 3.837 20 0 EHADRM CCOc1cc(C)ccc1CNC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000830044723 601623119 /nfs/dbraw/zinc/62/31/19/601623119.db2.gz QWBUCSPMVXLBLP-UHFFFAOYSA-N -1 0 342.395 3.722 20 0 EHADRM C[C@@H](C(=O)N1CCCC[C@@H]1C(=O)[O-])c1c(Cl)cccc1Cl ZINC000666361798 601629167 /nfs/dbraw/zinc/62/91/67/601629167.db2.gz WWVMAJXIPSOHJA-BXKDBHETSA-N -1 0 330.211 3.563 20 0 EHADRM C[C@@H](CC(=O)N1CCCC[C@@H]1C(=O)[O-])c1ccccc1C(F)(F)F ZINC000136514264 601630068 /nfs/dbraw/zinc/63/00/68/601630068.db2.gz SCFKWBMDFVNYDG-SMDDNHRTSA-N -1 0 343.345 3.665 20 0 EHADRM COc1cc(C)c(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1OC ZINC000831961828 601652397 /nfs/dbraw/zinc/65/23/97/601652397.db2.gz MYLIQLMGHXRWEH-UHFFFAOYSA-N -1 0 349.770 3.616 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NCc1cc(-c2cccs2)on1)c1ccccc1 ZINC000826054469 601657700 /nfs/dbraw/zinc/65/77/00/601657700.db2.gz NJLKVIWPOCXTHT-SJCJKPOMSA-N -1 0 342.420 3.955 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N(CCC(F)(F)F)CC2CC2)c1 ZINC000833291323 601665727 /nfs/dbraw/zinc/66/57/27/601665727.db2.gz XTOLJXWHFODTGO-UHFFFAOYSA-N -1 0 330.306 3.581 20 0 EHADRM O=C([O-])c1ccc(CSc2n[nH]c(-c3ccccc3F)n2)cc1F ZINC000833317142 601670575 /nfs/dbraw/zinc/67/05/75/601670575.db2.gz MAXRYHRCUQQLRG-UHFFFAOYSA-N -1 0 347.346 3.740 20 0 EHADRM Cc1ccccc1NC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000832978521 601684710 /nfs/dbraw/zinc/68/47/10/601684710.db2.gz JCEXLIIENFWZIL-HNNXBMFYSA-N -1 0 332.787 3.986 20 0 EHADRM O=C([O-])[C@@H](OC(=O)C1(Cc2ccccc2)CC1)c1ccccc1F ZINC000833168434 601684769 /nfs/dbraw/zinc/68/47/69/601684769.db2.gz AWBMEHCTBZDZAH-INIZCTEOSA-N -1 0 328.339 3.518 20 0 EHADRM CCc1noc(CC)c1CC(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000830348336 601685977 /nfs/dbraw/zinc/68/59/77/601685977.db2.gz YLSMQYIUMZVVSU-UHFFFAOYSA-N -1 0 348.424 3.618 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)N(CCC(F)(F)F)CC2CC2)cc1 ZINC000833267153 601702640 /nfs/dbraw/zinc/70/26/40/601702640.db2.gz ZETWJDHBHRAFPM-UHFFFAOYSA-N -1 0 344.333 3.510 20 0 EHADRM Cc1cc(C(=O)OCc2ccc(C(=O)[O-])c(F)c2)c2ccccc2n1 ZINC000832869880 601702717 /nfs/dbraw/zinc/70/27/17/601702717.db2.gz RVZYTYHCTDFPAK-UHFFFAOYSA-N -1 0 339.322 3.738 20 0 EHADRM O=C([O-])[C@@]1(F)CCN(C(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000833159519 601704924 /nfs/dbraw/zinc/70/49/24/601704924.db2.gz HUPJGXUOLVGKNN-GOSISDBHSA-N -1 0 344.342 3.509 20 0 EHADRM CC(C)(CNC(=O)C1(Cc2cccc(Cl)c2)CCCC1)C(=O)[O-] ZINC000236638205 601705275 /nfs/dbraw/zinc/70/52/75/601705275.db2.gz XKAJXSFRVBZNLE-UHFFFAOYSA-N -1 0 337.847 3.670 20 0 EHADRM Cc1ccc(SC2(C(=O)NCC(C)(C)C(=O)[O-])CCCC2)cc1 ZINC000237759720 601705321 /nfs/dbraw/zinc/70/53/21/601705321.db2.gz UHADHYKFLPVNHF-UHFFFAOYSA-N -1 0 335.469 3.627 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N2CC(Cc3ccccc3)C2)ccc1F ZINC000833283221 601708252 /nfs/dbraw/zinc/70/82/52/601708252.db2.gz PWMYQPGQPLSLPN-UHFFFAOYSA-N -1 0 343.358 3.622 20 0 EHADRM O=C([O-])c1ccc(COC(=O)Cc2c(F)cccc2Cl)cc1F ZINC000833116593 601720778 /nfs/dbraw/zinc/72/07/78/601720778.db2.gz HLSFLBXVDDVVTB-UHFFFAOYSA-N -1 0 340.709 3.602 20 0 EHADRM CCCc1nc(C)c(C(=O)OCc2ccc(C(=O)[O-])c(F)c2)s1 ZINC000829571776 601722491 /nfs/dbraw/zinc/72/24/91/601722491.db2.gz WFOBGGSIMATEII-UHFFFAOYSA-N -1 0 337.372 3.598 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cc3c(cccc3F)[nH]2)cc1F ZINC000833352800 601722538 /nfs/dbraw/zinc/72/25/38/601722538.db2.gz KTDFOCBYBVQWJJ-UHFFFAOYSA-N -1 0 331.274 3.501 20 0 EHADRM CC(C)CC(C)(C)CNC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000826759892 601723028 /nfs/dbraw/zinc/72/30/28/601723028.db2.gz UAFDAWUJAYDACH-UHFFFAOYSA-N -1 0 335.448 3.990 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000827586395 601725811 /nfs/dbraw/zinc/72/58/11/601725811.db2.gz LWLLXJBKPKLBPU-LLVKDONJSA-N -1 0 334.318 3.585 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000832589785 601725854 /nfs/dbraw/zinc/72/58/54/601725854.db2.gz TVVBMIFRMYDTGF-UHFFFAOYSA-N -1 0 346.354 3.554 20 0 EHADRM C[C@H](CC(=O)OCc1ccc(C(=O)[O-])c(F)c1)c1ccccc1F ZINC000827392420 601726790 /nfs/dbraw/zinc/72/67/90/601726790.db2.gz ZMHZPDBNMGGAKY-LLVKDONJSA-N -1 0 334.318 3.900 20 0 EHADRM Cc1cccc2[nH]cc(CC(=O)OCc3ccc(C(=O)[O-])c(F)c3)c21 ZINC000832975499 601727939 /nfs/dbraw/zinc/72/79/39/601727939.db2.gz AARAAWPAMLBRDS-UHFFFAOYSA-N -1 0 341.338 3.600 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1c(F)c(F)cc(F)c1F ZINC000833033038 601733378 /nfs/dbraw/zinc/73/33/78/601733378.db2.gz PAAZEXYEYPVDOM-UHFFFAOYSA-N -1 0 348.273 3.668 20 0 EHADRM CCc1[nH]c(C(=O)N[C@@H](C)c2ccc(C)c(F)c2)c(C)c1C(=O)[O-] ZINC000830191518 601739735 /nfs/dbraw/zinc/73/97/35/601739735.db2.gz HPHNWUOHGXDLIP-NSHDSACASA-N -1 0 332.375 3.522 20 0 EHADRM Cc1ccc(CCC(=O)Nc2nc(CCCC(=O)[O-])cs2)c(C)c1 ZINC000832930820 601743216 /nfs/dbraw/zinc/74/32/16/601743216.db2.gz PILSSXZHYRZCHJ-UHFFFAOYSA-N -1 0 346.452 3.739 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC000678986347 601743718 /nfs/dbraw/zinc/74/37/18/601743718.db2.gz GHWRJYFPIRGQGV-HNNXBMFYSA-N -1 0 341.338 3.744 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC000678991281 601745862 /nfs/dbraw/zinc/74/58/62/601745862.db2.gz ZDYSHVKCDIHEDZ-CQSZACIVSA-N -1 0 345.301 3.575 20 0 EHADRM Cc1cc(CCCC(=O)N[C@H](C(=O)[O-])c2ccccc2F)c(C)s1 ZINC000678987690 601745885 /nfs/dbraw/zinc/74/58/85/601745885.db2.gz SHMZXXREKSWZED-KRWDZBQOSA-N -1 0 349.427 3.769 20 0 EHADRM Cc1ccc2oc(C(=O)Nc3nc(CCCC(=O)[O-])cs3)cc2c1 ZINC000325207387 601748519 /nfs/dbraw/zinc/74/85/19/601748519.db2.gz JNSBRXVDVHQQEM-UHFFFAOYSA-N -1 0 344.392 3.857 20 0 EHADRM Cc1c2nc(NC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)sc2ccc1F ZINC000832854671 601750244 /nfs/dbraw/zinc/75/02/44/601750244.db2.gz NERNEKFDPKURCQ-VHSXEESVSA-N -1 0 336.388 3.573 20 0 EHADRM CCCC[C@@H](NC(=O)Nc1cccc(OCC(=O)[O-])c1)C1CCC1 ZINC000829295455 601752561 /nfs/dbraw/zinc/75/25/61/601752561.db2.gz FFJQFRDKEUOOSJ-MRXNPFEDSA-N -1 0 334.416 3.630 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(-c3ccccc3)cc2F)C[C@H]1C(=O)[O-] ZINC000828368639 601776414 /nfs/dbraw/zinc/77/64/14/601776414.db2.gz GLRYZFJRSMPKFG-IUODEOHRSA-N -1 0 342.370 3.677 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccccc2SC2CCCC2)C[C@@H]1C(=O)[O-] ZINC000828386099 601776543 /nfs/dbraw/zinc/77/65/43/601776543.db2.gz LGJGDJSQGAAIEU-JSGCOSHPSA-N -1 0 348.468 3.906 20 0 EHADRM Cc1nn(CCCOc2ccc(C)c(C)c2)c(C)c1[C@@H](C)C(=O)[O-] ZINC000832952005 601780269 /nfs/dbraw/zinc/78/02/69/601780269.db2.gz BIIVTSOLZFGNQS-CQSZACIVSA-N -1 0 330.428 3.774 20 0 EHADRM Cc1cccc(C(Nc2ccc(C(=O)[O-])nn2)c2cccc(C)c2)c1 ZINC000832965028 601786484 /nfs/dbraw/zinc/78/64/84/601786484.db2.gz QSCQWYKFLLFKEK-UHFFFAOYSA-N -1 0 333.391 3.993 20 0 EHADRM Cc1nc(CNc2ccc(C(=O)[O-])cc2OCC(F)(F)F)oc1C ZINC000833000184 601787812 /nfs/dbraw/zinc/78/78/12/601787812.db2.gz ZCRUUFJSMKQMOW-UHFFFAOYSA-N -1 0 344.289 3.543 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cccc(-c3cccs3)c2)C[C@H]1C(=O)[O-] ZINC000828379471 601790618 /nfs/dbraw/zinc/79/06/18/601790618.db2.gz ZCIGLWSCKGMNKM-SMDDNHRTSA-N -1 0 330.409 3.600 20 0 EHADRM COc1cccc([C@H](C)CC(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC000776630566 601800827 /nfs/dbraw/zinc/80/08/27/601800827.db2.gz MFZYXUQYGHIUSW-LLVKDONJSA-N -1 0 331.343 3.665 20 0 EHADRM Cc1[nH]c(C(=O)Nc2cc(C(C)C)c(O)cc2C)c(C)c1C(=O)[O-] ZINC000832899653 601802276 /nfs/dbraw/zinc/80/22/76/601802276.db2.gz PMPOANPPAQWDSJ-UHFFFAOYSA-N -1 0 330.384 3.719 20 0 EHADRM CN(C(=O)c1cc2cccc(Cl)c2o1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000830523688 601804105 /nfs/dbraw/zinc/80/41/05/601804105.db2.gz OXNHNJFCIHZVKP-OAHLLOKOSA-N -1 0 343.766 3.984 20 0 EHADRM Cc1ccc(-c2nnc(SCc3ccsc3C(=O)[O-])n2C)cc1 ZINC000832908212 601805677 /nfs/dbraw/zinc/80/56/77/601805677.db2.gz UKZDZZYGKJPFRV-UHFFFAOYSA-N -1 0 345.449 3.843 20 0 EHADRM CC(C)C[C@@H](C(=O)N1CCC(CCC(=O)[O-])CC1)c1ccccc1 ZINC000659775662 601815547 /nfs/dbraw/zinc/81/55/47/601815547.db2.gz ZPESXJRAXAWHIA-GOSISDBHSA-N -1 0 331.456 3.920 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000540784331 601818890 /nfs/dbraw/zinc/81/88/90/601818890.db2.gz RRGWMSVJGKWFRZ-SFHVURJKSA-N -1 0 331.456 3.605 20 0 EHADRM Cc1cc([C@H](C)NC(=O)N2CCC(CCC(=O)[O-])CC2)c(C)s1 ZINC000321470888 601824229 /nfs/dbraw/zinc/82/42/29/601824229.db2.gz QCNPCKSFWPXWPX-LBPRGKRZSA-N -1 0 338.473 3.712 20 0 EHADRM O=C([O-])CCC1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000391909225 601830679 /nfs/dbraw/zinc/83/06/79/601830679.db2.gz LWJVFZUCIDUZEW-UHFFFAOYSA-N -1 0 346.305 3.695 20 0 EHADRM Cc1cccc(-c2nnc(SCc3ccc(C(=O)[O-])s3)n2C)c1 ZINC000832960461 601845984 /nfs/dbraw/zinc/84/59/84/601845984.db2.gz IIEXQJPSLOVXBS-UHFFFAOYSA-N -1 0 345.449 3.843 20 0 EHADRM Cc1ccccc1CCCOC(=O)c1ccc(NC(=O)[O-])c(O)c1 ZINC000832980815 601846094 /nfs/dbraw/zinc/84/60/94/601846094.db2.gz MILSQZCTGRFCMS-UHFFFAOYSA-N -1 0 329.352 3.580 20 0 EHADRM COc1ccc(COCCSCc2ccc(C(=O)[O-])s2)cc1 ZINC000832362963 601846438 /nfs/dbraw/zinc/84/64/38/601846438.db2.gz TXYBOLGKURMFLR-UHFFFAOYSA-N -1 0 338.450 3.905 20 0 EHADRM Cc1cccc(C)c1NC(=O)CSCc1ccc(C(=O)[O-])s1 ZINC000832966139 601847140 /nfs/dbraw/zinc/84/71/40/601847140.db2.gz YVNRIVVUFAWMNN-UHFFFAOYSA-N -1 0 335.450 3.935 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)C2(Cc3ccccc3)CCC2)c1 ZINC000238141805 601847397 /nfs/dbraw/zinc/84/73/97/601847397.db2.gz UCSXBCPJQNWXRU-UHFFFAOYSA-N -1 0 327.355 3.875 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)c2ccc3ncccc3c2)cc1 ZINC000833264241 601872703 /nfs/dbraw/zinc/87/27/03/601872703.db2.gz IPHZUCHDXYMRJC-UHFFFAOYSA-N -1 0 339.372 3.631 20 0 EHADRM O=C([O-])NC1CCC(C(=O)N[C@H](c2ccccc2)C2CCCC2)CC1 ZINC000740554305 601876286 /nfs/dbraw/zinc/87/62/86/601876286.db2.gz UMSMKNADLRBUFW-DAWZGUTISA-N -1 0 344.455 3.861 20 0 EHADRM C[C@H]1CN(Cc2ccc(F)cc2C(=O)[O-])C[C@H](c2ccsc2)O1 ZINC000828457411 601884973 /nfs/dbraw/zinc/88/49/73/601884973.db2.gz UDZQKEYKZDKQLH-MEDUHNTESA-N -1 0 335.400 3.547 20 0 EHADRM CCC[C@@H]1CCCN(C(=O)c2ccccc2S[C@H](C)C(=O)[O-])C1 ZINC000191620532 601891325 /nfs/dbraw/zinc/89/13/25/601891325.db2.gz XNHSAVUZKFWZRG-ZIAGYGMSSA-N -1 0 335.469 3.904 20 0 EHADRM CSc1ccc(C)c(C(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])c1 ZINC000538513291 601898903 /nfs/dbraw/zinc/89/89/03/601898903.db2.gz CIOVIJODNXOCGF-HOCLYGCPSA-N -1 0 335.469 3.870 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)c1cnc(Cl)c(Cl)c1 ZINC000833129759 601900715 /nfs/dbraw/zinc/90/07/15/601900715.db2.gz CNFCSXFPJDCSFC-JQWIXIFHSA-N -1 0 345.226 3.542 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)c1cnc(-c2ccco2)s1 ZINC000262163665 601901543 /nfs/dbraw/zinc/90/15/43/601901543.db2.gz VODSKLSFEPRPBR-NEPJUHHUSA-N -1 0 348.424 3.557 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)[C@@H]1CCSc2ccccc21 ZINC000833132033 601902149 /nfs/dbraw/zinc/90/21/49/601902149.db2.gz PPBDKTPOOJMMKA-OWCLPIDISA-N -1 0 347.480 3.806 20 0 EHADRM CN(C(=O)[O-])[C@H]1CCCN(C(=O)c2sccc2-c2ccccc2)C1 ZINC000739588299 601904875 /nfs/dbraw/zinc/90/48/75/601904875.db2.gz XEBZLTKGXXFGOG-AWEZNQCLSA-N -1 0 344.436 3.630 20 0 EHADRM Cc1cccc2c(CC(=O)N[C@@H]3CCCCCC[C@@H]3C(=O)[O-])c[nH]c21 ZINC000262197239 601906354 /nfs/dbraw/zinc/90/63/54/601906354.db2.gz ZPCCQZRODPZOOG-DLBZAZTESA-N -1 0 342.439 3.559 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)CCCOc2ccc(Cl)cc2)c1 ZINC000170534538 601921745 /nfs/dbraw/zinc/92/17/45/601921745.db2.gz WMNLJRYRKXXTJV-UHFFFAOYSA-N -1 0 347.798 3.514 20 0 EHADRM CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000170534392 601924091 /nfs/dbraw/zinc/92/40/91/601924091.db2.gz CHEQGIHNAJOWPD-UHFFFAOYSA-N -1 0 347.798 3.512 20 0 EHADRM O=C([O-])NC1(C(=O)Nc2ccc3nc(C4CC4)sc3c2)CCCC1 ZINC000740542418 601929853 /nfs/dbraw/zinc/92/98/53/601929853.db2.gz GLEYGXRSGIHUAA-UHFFFAOYSA-N -1 0 345.424 3.693 20 0 EHADRM Cc1ccoc1C(=O)O[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000832985030 601933068 /nfs/dbraw/zinc/93/30/68/601933068.db2.gz WQELDMHQSKLGOW-GFCCVEGCSA-N -1 0 329.135 3.878 20 0 EHADRM Cc1cnc(CNc2cc(C(=O)[O-])ccc2OCc2ccccc2)o1 ZINC000832988482 601964420 /nfs/dbraw/zinc/96/44/20/601964420.db2.gz VUNMFISNUVGHBX-UHFFFAOYSA-N -1 0 338.363 3.872 20 0 EHADRM COc1ccc(-c2cnc(CNc3cccc(CC(=O)[O-])c3)o2)cc1 ZINC000818570790 601969166 /nfs/dbraw/zinc/96/91/66/601969166.db2.gz XCMLOPWJUJOFQC-UHFFFAOYSA-N -1 0 338.363 3.589 20 0 EHADRM Cc1cc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c(Cl)cc1F ZINC000237621898 601970372 /nfs/dbraw/zinc/97/03/72/601970372.db2.gz INRZHSFDCWDOEM-ZBEGNZNMSA-N -1 0 349.789 3.979 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)/C=C/SCc1ccco1 ZINC000825942384 601974712 /nfs/dbraw/zinc/97/47/12/601974712.db2.gz WHTYANWLFCSFNW-SOFGYWHQSA-N -1 0 346.360 3.533 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000263465377 601983099 /nfs/dbraw/zinc/98/30/99/601983099.db2.gz GBACCGGOSVZJON-QGZVFWFLSA-N -1 0 338.835 3.793 20 0 EHADRM Cc1coc(-c2ccc(C)c(NC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)c2)n1 ZINC000832987403 601993424 /nfs/dbraw/zinc/99/34/24/601993424.db2.gz GEHCVBSALCBEKD-DZGCQCFKSA-N -1 0 342.395 3.788 20 0 EHADRM CC(C)Sc1ccccc1C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000738870414 601996024 /nfs/dbraw/zinc/99/60/24/601996024.db2.gz XAEAZEQDCCDLQM-UHFFFAOYSA-N -1 0 331.397 3.924 20 0 EHADRM Cc1c(C(=O)OCc2ccc(C(=O)[O-])s2)cnc2ccccc12 ZINC000832853212 602012633 /nfs/dbraw/zinc/01/26/33/602012633.db2.gz GFBGMXGWFSSCCN-UHFFFAOYSA-N -1 0 327.361 3.660 20 0 EHADRM C[C@H](OC(=O)C1(Cc2ccccc2)CCC1)c1ccc(C(=O)[O-])o1 ZINC000827816980 602016515 /nfs/dbraw/zinc/01/65/15/602016515.db2.gz FPSCBPUNLZDXAH-ZDUSSCGKSA-N -1 0 328.364 3.995 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N1CCCC[C@@H]1[C@H](C)NC(=O)[O-] ZINC000740035464 602018159 /nfs/dbraw/zinc/01/81/59/602018159.db2.gz HZSKGCLPPWHSTA-SMDDNHRTSA-N -1 0 348.374 3.531 20 0 EHADRM C[C@H](NC(=O)[O-])[C@H]1CCCCN1C(=O)c1cc2ccccc2s1 ZINC000739000245 602019187 /nfs/dbraw/zinc/01/91/87/602019187.db2.gz HJCSFEKWGXTNPU-WCQYABFASA-N -1 0 332.425 3.552 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cccc(Cl)c1F)c1ccc(Cl)cc1 ZINC000833126390 602024452 /nfs/dbraw/zinc/02/44/52/602024452.db2.gz WJVWTCDKZRDNDT-CYBMUJFWSA-N -1 0 342.153 3.688 20 0 EHADRM COc1ccc(C)cc1NC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000832266064 602025729 /nfs/dbraw/zinc/02/57/29/602025729.db2.gz VIXQBTUWNFJBDH-UONOGXRCSA-N -1 0 334.416 3.549 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)Nc1ccc(F)c(F)c1F ZINC000833158221 602025854 /nfs/dbraw/zinc/02/58/54/602025854.db2.gz WBOZRQMTFXBDSQ-GXSJLCMTSA-N -1 0 344.333 3.649 20 0 EHADRM Cc1ccc2[nH]c(C(=O)Nc3cc(NC(=O)[O-])ccc3F)cc2c1 ZINC000740161474 602026983 /nfs/dbraw/zinc/02/69/83/602026983.db2.gz XHBOVYJMZNSCDB-UHFFFAOYSA-N -1 0 327.315 3.958 20 0 EHADRM CCS[C@H]1CC[C@H](N(C)C(=O)Nc2cc(C(=O)[O-])ccc2F)C1 ZINC000830151017 602031587 /nfs/dbraw/zinc/03/15/87/602031587.db2.gz SMUWDAHSAYHGKD-RYUDHWBXSA-N -1 0 340.420 3.662 20 0 EHADRM CCC[C@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000829257024 602031748 /nfs/dbraw/zinc/03/17/48/602031748.db2.gz VUOMIKYAQQEYBQ-JTQLQIEISA-N -1 0 326.343 3.707 20 0 EHADRM CCS[C@H]1CC[C@H](N(C)C(=O)Nc2cccc(NC(=O)[O-])c2)C1 ZINC000830148827 602033107 /nfs/dbraw/zinc/03/31/07/602033107.db2.gz AFGXUUOCMMDKEV-KBPBESRZSA-N -1 0 337.445 3.914 20 0 EHADRM CCOCCC1(C(=O)Oc2ccc(C(=O)[O-])cc2Cl)CCCC1 ZINC000829994507 602033346 /nfs/dbraw/zinc/03/33/46/602033346.db2.gz PIPOERMCNMCHPH-UHFFFAOYSA-N -1 0 340.803 3.931 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)NCc2cccc(C(=O)[O-])c2)c1 ZINC000327413241 602035202 /nfs/dbraw/zinc/03/52/02/602035202.db2.gz MTQSRCZZXBZNIJ-ZDUSSCGKSA-N -1 0 342.395 3.884 20 0 EHADRM CCC(CC)[C@@H](NC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccccc1 ZINC000262914153 602060259 /nfs/dbraw/zinc/06/02/59/602060259.db2.gz DYARNWLWPXWQMV-VQIMIIECSA-N -1 0 332.444 3.670 20 0 EHADRM C[C@@H](C(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1)C1CC1 ZINC000826008766 602063901 /nfs/dbraw/zinc/06/39/01/602063901.db2.gz MZPJBNBFPIGCMX-CYBMUJFWSA-N -1 0 339.391 3.948 20 0 EHADRM CCC[C@H](NC(=O)N1CCC[C@@H](CN(C)C(=O)[O-])C1)c1ccccc1 ZINC000739303996 602064338 /nfs/dbraw/zinc/06/43/38/602064338.db2.gz NLYSBGKERRJSNC-RDJZCZTQSA-N -1 0 347.459 3.559 20 0 EHADRM COc1ccc2oc(C(=O)Nc3cccc(CC(=O)[O-])c3)c(C)c2c1 ZINC000237311697 602066949 /nfs/dbraw/zinc/06/69/49/602066949.db2.gz ZQKDPVDPRGQMPG-UHFFFAOYSA-N -1 0 339.347 3.629 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)NCCCCCCCC(=O)[O-])CC2 ZINC000832961891 602068627 /nfs/dbraw/zinc/06/86/27/602068627.db2.gz NIMXJODZMYHSRM-KRWDZBQOSA-N -1 0 332.444 3.707 20 0 EHADRM Cc1cc(C)c(C)c(OCCC(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000676211261 602071569 /nfs/dbraw/zinc/07/15/69/602071569.db2.gz MUUUPOCTVBEAHT-UHFFFAOYSA-N -1 0 341.407 3.647 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2cccc3c4c([nH]c32)CCCC4)c1 ZINC000238148250 602076093 /nfs/dbraw/zinc/07/60/93/602076093.db2.gz DYNFCIQTMQEZRP-UHFFFAOYSA-N -1 0 348.402 3.926 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000325788791 602083963 /nfs/dbraw/zinc/08/39/63/602083963.db2.gz WCYFRALYCLOMQK-UHFFFAOYSA-N -1 0 338.285 3.977 20 0 EHADRM O=C([O-])[C@@H](OC(=O)[C@@H]1CC12CCC2)c1cc(Cl)cc(Cl)c1 ZINC000833168839 602089238 /nfs/dbraw/zinc/08/92/38/602089238.db2.gz FDAGZJPZBZXTFM-RYUDHWBXSA-N -1 0 329.179 3.853 20 0 EHADRM O=C([O-])[C@H](OC(=O)C1CC(F)(F)C1)c1cc(Cl)cc(Cl)c1 ZINC000833348048 602089938 /nfs/dbraw/zinc/08/99/38/602089938.db2.gz MMHPVAHNTKNUJB-SNVBAGLBSA-N -1 0 339.121 3.708 20 0 EHADRM CCOc1cc(C)ccc1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737882301 602094562 /nfs/dbraw/zinc/09/45/62/602094562.db2.gz UMMGQMLAJHLECM-UHFFFAOYSA-N -1 0 328.368 3.665 20 0 EHADRM CSCCc1ccc(NC(=O)[C@@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000740014996 602100694 /nfs/dbraw/zinc/10/06/94/602100694.db2.gz RYIZWLLTUBXRDF-INIZCTEOSA-N -1 0 344.436 3.540 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)c1cccc(Cl)c1F ZINC000833299925 602101279 /nfs/dbraw/zinc/10/12/79/602101279.db2.gz XSPKSTGWHLTRTB-UHFFFAOYSA-N -1 0 326.682 3.673 20 0 EHADRM C[C@H](CC(=O)[O-])c1nc(-c2cccnc2Oc2ccccc2)no1 ZINC000827392170 602102735 /nfs/dbraw/zinc/10/27/35/602102735.db2.gz UNUPBWAJVYNEAU-LLVKDONJSA-N -1 0 325.324 3.502 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)Nc1ccc(SC(F)F)cc1 ZINC000739242877 602102846 /nfs/dbraw/zinc/10/28/46/602102846.db2.gz ZGEYJAQSNCBHDR-GZMMTYOYSA-N -1 0 332.372 3.622 20 0 EHADRM CN(C)c1ccc(Cl)cc1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737955218 602103906 /nfs/dbraw/zinc/10/39/06/602103906.db2.gz OSXBRSDMEFCLKN-UHFFFAOYSA-N -1 0 347.802 3.677 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000827272314 602103976 /nfs/dbraw/zinc/10/39/76/602103976.db2.gz NQAKHPMXASZKCN-PIGZYNQJSA-N -1 0 349.789 3.796 20 0 EHADRM Cc1ccc2c(c1)[C@H](NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)CO2 ZINC000832961462 602104636 /nfs/dbraw/zinc/10/46/36/602104636.db2.gz BJSPNIFULKXTCR-CQSZACIVSA-N -1 0 346.770 3.602 20 0 EHADRM CN(C(=O)c1cc(C(F)(F)F)ccc1F)c1ccccc1C(=O)[O-] ZINC000325404856 602105957 /nfs/dbraw/zinc/10/59/57/602105957.db2.gz QNXXZZXBPROGNU-UHFFFAOYSA-N -1 0 341.260 3.819 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000827256614 602106601 /nfs/dbraw/zinc/10/66/01/602106601.db2.gz JLIITARIPCJHLS-NOZJJQNGSA-N -1 0 330.211 3.768 20 0 EHADRM CCOCCC1(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)CCCC1 ZINC000829990002 602109665 /nfs/dbraw/zinc/10/96/65/602109665.db2.gz PVQWEPVYOWDXSZ-UHFFFAOYSA-N -1 0 339.819 3.964 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000827272999 602114933 /nfs/dbraw/zinc/11/49/33/602114933.db2.gz PVEJPYKVKLMTNF-GUYCJALGSA-N -1 0 345.826 3.851 20 0 EHADRM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=S)NCCCC(=O)[O-] ZINC000832890868 602120741 /nfs/dbraw/zinc/12/07/41/602120741.db2.gz FIHYZCYUUFWLAK-AWEZNQCLSA-N -1 0 349.500 3.525 20 0 EHADRM COc1ccccc1Oc1ccc(NC(=O)[C@@H](C)CC(=O)[O-])cc1F ZINC000832633202 602120782 /nfs/dbraw/zinc/12/07/82/602120782.db2.gz RPTNBPOHKANPTP-NSHDSACASA-N -1 0 347.342 3.676 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC000827274304 602129816 /nfs/dbraw/zinc/12/98/16/602129816.db2.gz WZIMRODCAHQOBC-GUYCJALGSA-N -1 0 345.826 3.851 20 0 EHADRM C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)[C@@H](C)CC(=O)[O-] ZINC000827247790 602130730 /nfs/dbraw/zinc/13/07/30/602130730.db2.gz RETPENYTGDCNAH-UONOGXRCSA-N -1 0 331.437 3.949 20 0 EHADRM CCOCCC1(CNc2nc(Cl)c(C(=O)[O-])s2)CCCC1 ZINC000829994775 602134227 /nfs/dbraw/zinc/13/42/27/602134227.db2.gz SOFZHSGPSHRHDD-UHFFFAOYSA-N -1 0 332.853 3.894 20 0 EHADRM CCCC1(C(=O)Nc2ncc(Cc3cccc(C(=O)[O-])c3)s2)CC1 ZINC000829238291 602135531 /nfs/dbraw/zinc/13/55/31/602135531.db2.gz QOONYBBCWJQYBH-UHFFFAOYSA-N -1 0 344.436 3.951 20 0 EHADRM CCC(=O)c1ccc(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000828573773 602137481 /nfs/dbraw/zinc/13/74/81/602137481.db2.gz ASHIIBOVIDUSAE-UHFFFAOYSA-N -1 0 330.315 3.761 20 0 EHADRM C[C@@H](Nc1ccc(NC(=O)[C@@H](C)CC(=O)[O-])cc1)c1ccccc1 ZINC000827311072 602138551 /nfs/dbraw/zinc/13/85/51/602138551.db2.gz PKAPJPDMRVLWTE-UONOGXRCSA-N -1 0 326.396 3.909 20 0 EHADRM CCc1oc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)cc1C ZINC000262781948 602138999 /nfs/dbraw/zinc/13/89/99/602138999.db2.gz OEQMQRYZIFSDPS-UHFFFAOYSA-N -1 0 333.409 3.721 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000237002880 602140264 /nfs/dbraw/zinc/14/02/64/602140264.db2.gz WYRBDIGGJVISSQ-KRWDZBQOSA-N -1 0 333.428 3.770 20 0 EHADRM COCCC1(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CCCC1 ZINC000237162685 602149407 /nfs/dbraw/zinc/14/94/07/602149407.db2.gz AETCNHUNHYIIIX-UHFFFAOYSA-N -1 0 325.792 3.574 20 0 EHADRM Cc1ccc(Oc2ccccc2CNC(=O)[C@H](C)CC(=O)[O-])cc1 ZINC000832953224 602152561 /nfs/dbraw/zinc/15/25/61/602152561.db2.gz CUWQSJGQZNJSOK-CQSZACIVSA-N -1 0 327.380 3.514 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1ccc2sccc2c1 ZINC000346023464 602156503 /nfs/dbraw/zinc/15/65/03/602156503.db2.gz GZUYWGZYOGWLDP-QGZVFWFLSA-N -1 0 337.400 3.726 20 0 EHADRM CCS[C@@H](C)c1noc(COc2cc(C)sc2C(=O)[O-])n1 ZINC000830149115 602159029 /nfs/dbraw/zinc/15/90/29/602159029.db2.gz DJRGUPHGVMZNRV-QMMMGPOBSA-N -1 0 328.415 3.531 20 0 EHADRM CCCC1(C(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])CC1 ZINC000829231222 602161165 /nfs/dbraw/zinc/16/11/65/602161165.db2.gz UJUBQYGKESTVMK-SFHVURJKSA-N -1 0 339.435 3.780 20 0 EHADRM O=C([O-])c1ccc(Cn2ccc(-c3ccc(Br)cc3)n2)o1 ZINC000833317803 602161364 /nfs/dbraw/zinc/16/13/64/602161364.db2.gz IWETWUCAVIBASS-UHFFFAOYSA-N -1 0 347.168 3.652 20 0 EHADRM CC[C@H](c1ccccc1)N(CC)C(=O)NC[C@H]1CCCN(C(=O)[O-])C1 ZINC000739267774 602165378 /nfs/dbraw/zinc/16/53/78/602165378.db2.gz ZYDHKWZHYZDSCW-NVXWUHKLSA-N -1 0 347.459 3.559 20 0 EHADRM Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)[C@@H](C)CC(=O)[O-] ZINC000832984413 602168002 /nfs/dbraw/zinc/16/80/02/602168002.db2.gz PNWGUFMQVVEWDY-ZFWWWQNUSA-N -1 0 331.437 3.567 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)c2cc(Cl)c(Cl)[nH]2)c1 ZINC000739917838 602171880 /nfs/dbraw/zinc/17/18/80/602171880.db2.gz NPQVQGCXMFXQRL-UHFFFAOYSA-N -1 0 344.154 3.672 20 0 EHADRM CC(C)c1cc(C(=O)Nc2cc(C(=O)[O-])cs2)nn1C(C)(C)C ZINC000191363026 602178674 /nfs/dbraw/zinc/17/86/74/602178674.db2.gz PBGBVDSQSMIDTN-UHFFFAOYSA-N -1 0 335.429 3.774 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)CSc1ccc2c(c1)CCC2 ZINC000740714394 602178866 /nfs/dbraw/zinc/17/88/66/602178866.db2.gz PSHHSAFBTSAPNC-UHFFFAOYSA-N -1 0 342.420 3.996 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)c1ccc(Br)s1 ZINC000740715191 602178926 /nfs/dbraw/zinc/17/89/26/602178926.db2.gz IFAKKVKNUAFNJW-UHFFFAOYSA-N -1 0 341.186 3.853 20 0 EHADRM Cc1c(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cccc1C(F)(F)F ZINC000191563595 602189817 /nfs/dbraw/zinc/18/98/17/602189817.db2.gz IIMAMPBZVIKMCE-GHMZBOCLSA-N -1 0 329.318 3.843 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CCC2(CCC2)C1 ZINC000827047004 602201834 /nfs/dbraw/zinc/20/18/34/602201834.db2.gz CMUIOQXLHRHYNQ-UHFFFAOYSA-N -1 0 332.400 3.580 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)CCc2c[nH]c3ccccc23)c1 ZINC000740675368 602202737 /nfs/dbraw/zinc/20/27/37/602202737.db2.gz DTBDNVSSYNLTOT-UHFFFAOYSA-N -1 0 337.379 3.507 20 0 EHADRM CC1(C)CCCN1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000828065120 602224102 /nfs/dbraw/zinc/22/41/02/602224102.db2.gz NPGBUKDDBPCDFM-UHFFFAOYSA-N -1 0 342.395 3.710 20 0 EHADRM C[C@@H](NC(=S)Nc1ccc2c(c1)CCN2C(=O)[O-])c1ccccc1 ZINC000739030385 602234776 /nfs/dbraw/zinc/23/47/76/602234776.db2.gz NPNWQRFEJLYVLD-GFCCVEGCSA-N -1 0 341.436 3.775 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)C3(c4ccc(F)cc4)CC3)ccc21 ZINC000740529976 602241343 /nfs/dbraw/zinc/24/13/43/602241343.db2.gz RHLOEDUNTPCCKP-UHFFFAOYSA-N -1 0 340.354 3.537 20 0 EHADRM O=C(/C=C\Sc1ccccc1)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000740350277 602241557 /nfs/dbraw/zinc/24/15/57/602241557.db2.gz PCCIFLOMQKYNQG-LUAWRHEFSA-N -1 0 340.404 3.972 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)N2CCC3(CCCCC3)CC2)cc1 ZINC000740701804 602245247 /nfs/dbraw/zinc/24/52/47/602245247.db2.gz LKJZMKJSCKLKRJ-UHFFFAOYSA-N -1 0 330.428 3.892 20 0 EHADRM Cc1cccc2sc(NC(=O)c3ccc(CNC(=O)[O-])cc3)nc21 ZINC000740178814 602248589 /nfs/dbraw/zinc/24/85/89/602248589.db2.gz MHLFQECUDSODPK-UHFFFAOYSA-N -1 0 341.392 3.625 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000832886016 602252128 /nfs/dbraw/zinc/25/21/28/602252128.db2.gz AMUHRPAHNYFOBI-UHFFFAOYSA-N -1 0 332.787 3.711 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)c3sccc3C3CC3)ccc21 ZINC000740465355 602252823 /nfs/dbraw/zinc/25/28/23/602252823.db2.gz GCWBGIWZXNKEIB-UHFFFAOYSA-N -1 0 328.393 3.918 20 0 EHADRM C[C@@H](NC(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1)C(=O)[O-] ZINC000737674906 602253459 /nfs/dbraw/zinc/25/34/59/602253459.db2.gz FVETZBNAALCUAK-HPUUJOOBSA-N -1 0 347.773 3.609 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2ccccc2F)c2ccccc12 ZINC000237966831 602259421 /nfs/dbraw/zinc/25/94/21/602259421.db2.gz OVUIGFZFGLPGPW-UHFFFAOYSA-N -1 0 339.322 3.695 20 0 EHADRM CCCCC[C@@H](NC(=O)N1CCC(NC(=O)[O-])CC1)c1ccccc1 ZINC000739329295 602260571 /nfs/dbraw/zinc/26/05/71/602260571.db2.gz HSKMUQULNPRAHD-QGZVFWFLSA-N -1 0 347.459 3.750 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)NC3(c4ccccc4)CC3)ccc21 ZINC000740470807 602277575 /nfs/dbraw/zinc/27/75/75/602277575.db2.gz PKNVZKXZXMXVPK-UHFFFAOYSA-N -1 0 337.379 3.538 20 0 EHADRM Cc1nc(CC(C)C)c(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])s1 ZINC000424387878 602283146 /nfs/dbraw/zinc/28/31/46/602283146.db2.gz XYJBCEGHYPDQBH-GFCCVEGCSA-N -1 0 341.477 3.518 20 0 EHADRM COc1ccc(C[C@@H](C)OC(=O)Cc2ccc(NC(=O)[O-])cc2)cc1 ZINC000739895806 602293010 /nfs/dbraw/zinc/29/30/10/602293010.db2.gz QXIIEXAQRMXPMP-CYBMUJFWSA-N -1 0 343.379 3.502 20 0 EHADRM O=C([O-])c1ccc(NCc2ncc(-c3ccccc3F)o2)cc1F ZINC000833320919 602302656 /nfs/dbraw/zinc/30/26/56/602302656.db2.gz ZTLCVWWSIJMCOF-UHFFFAOYSA-N -1 0 330.290 3.930 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)Cc1ccc(C)cc1Cl ZINC000831913997 602306334 /nfs/dbraw/zinc/30/63/34/602306334.db2.gz YCVAOGQPZKLAHP-UHFFFAOYSA-N -1 0 334.755 3.503 20 0 EHADRM C[C@@H]1CC[C@@H](CC(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC000828220735 602312137 /nfs/dbraw/zinc/31/21/37/602312137.db2.gz CSMGUSKODGPNND-NXEZZACHSA-N -1 0 327.327 3.751 20 0 EHADRM O=C([O-])N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2ccccc2c1 ZINC000740690958 602329186 /nfs/dbraw/zinc/32/91/86/602329186.db2.gz UDHDPMXDFWRTQG-SFHVURJKSA-N -1 0 334.375 3.657 20 0 EHADRM Cc1cccc2[nH]cc(CC(=O)Nc3cc(NC(=O)[O-])ccc3F)c21 ZINC000740175950 602337072 /nfs/dbraw/zinc/33/70/72/602337072.db2.gz VZEAAVYVBGEHCM-UHFFFAOYSA-N -1 0 341.342 3.887 20 0 EHADRM CC(C)(C(=O)Nc1ccc(NC(=O)[O-])nc1)c1ccccc1Cl ZINC000738661879 602337438 /nfs/dbraw/zinc/33/74/38/602337438.db2.gz JZEJZAONESJWGK-UHFFFAOYSA-N -1 0 333.775 3.741 20 0 EHADRM CCCOc1ccc(CCC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000767201227 602356140 /nfs/dbraw/zinc/35/61/40/602356140.db2.gz ZJHHOMMRQLVPIE-UHFFFAOYSA-N -1 0 345.370 3.884 20 0 EHADRM CC[C@@H](NC(=O)Nc1cc(C(=O)[O-])n(C)c1)c1ccc(Cl)s1 ZINC000828951216 602359141 /nfs/dbraw/zinc/35/91/41/602359141.db2.gz GOINXQFWTPAWBY-SECBINFHSA-N -1 0 341.820 3.711 20 0 EHADRM COc1ccc(SCCC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000767200732 602360623 /nfs/dbraw/zinc/36/06/23/602360623.db2.gz UOENPMVCWGQHAG-UHFFFAOYSA-N -1 0 349.383 3.653 20 0 EHADRM CC[C@@H](NC(=O)C1CCC(NC(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000739258710 602360739 /nfs/dbraw/zinc/36/07/39/602360739.db2.gz ITUQXWJFUIDEJO-PESDSKBTSA-N -1 0 338.835 3.734 20 0 EHADRM CC(C)C[C@H](NC(=O)Nc1cc(C(=O)[O-])n(C)c1)c1ccccc1 ZINC000826793279 602361233 /nfs/dbraw/zinc/36/12/33/602361233.db2.gz MGMJLMOENUSAGT-HNNXBMFYSA-N -1 0 329.400 3.632 20 0 EHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)Nc2cc(C(=O)[O-])n(C)c2)o1 ZINC000832929048 602369212 /nfs/dbraw/zinc/36/92/12/602369212.db2.gz JAOHOEYVIMFSIZ-AWEZNQCLSA-N -1 0 345.399 3.774 20 0 EHADRM C[C@H](c1cc2ccccc2o1)N(C)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000827929166 602373317 /nfs/dbraw/zinc/37/33/17/602373317.db2.gz WKTIXFJWKPGBNX-LLVKDONJSA-N -1 0 341.367 3.694 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C1CCC(NC(=O)[O-])CC1 ZINC000739052690 602377718 /nfs/dbraw/zinc/37/77/18/602377718.db2.gz HYLGVINLWCWOGO-NUYPLMSZSA-N -1 0 338.835 3.686 20 0 EHADRM CCS[C@H]1CCC[C@@H](NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000830156973 602378747 /nfs/dbraw/zinc/37/87/47/602378747.db2.gz BVLUJSRUVQVVCB-PWSUYJOCSA-N -1 0 340.420 3.710 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccc(F)cc1F ZINC000827671244 602381452 /nfs/dbraw/zinc/38/14/52/602381452.db2.gz FHGKWINLYPOXRY-MRVPVSSYSA-N -1 0 338.285 3.685 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CC[C@@H](c3ccccc3F)C2)cc1F ZINC000833318735 602383738 /nfs/dbraw/zinc/38/37/38/602383738.db2.gz CLXZZCJNBQFAMQ-LLVKDONJSA-N -1 0 346.333 3.684 20 0 EHADRM Cc1ccccc1[C@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000832977543 602384798 /nfs/dbraw/zinc/38/47/98/602384798.db2.gz MTKFUOAOGZQSSN-ZDUSSCGKSA-N -1 0 342.370 3.854 20 0 EHADRM CCc1[nH]c(C(=O)Nc2ccc(F)cc2NC2CC2)c(C)c1C(=O)[O-] ZINC000830196462 602388591 /nfs/dbraw/zinc/38/85/91/602388591.db2.gz JZRZQJXRMFPMIC-UHFFFAOYSA-N -1 0 345.374 3.549 20 0 EHADRM O=C([O-])CN(C(=O)c1cc(F)c(Cl)cc1Cl)C1CCCC1 ZINC000037586461 602399692 /nfs/dbraw/zinc/39/96/92/602399692.db2.gz MGRMTQPAWJMPPJ-UHFFFAOYSA-N -1 0 334.174 3.602 20 0 EHADRM O=C([O-])CN(C(=O)c1cc(C2CC2)nc2ccccc21)C1CCCC1 ZINC000621575762 602399902 /nfs/dbraw/zinc/39/99/02/602399902.db2.gz NHKZQKBJRQMIEF-UHFFFAOYSA-N -1 0 338.407 3.582 20 0 EHADRM Cc1cccc(O[C@@H](C)c2nc([C@H](CC(C)C)NC(=O)[O-])no2)c1 ZINC000740171961 602408153 /nfs/dbraw/zinc/40/81/53/602408153.db2.gz QLOWXIJRTQYHBU-JSGCOSHPSA-N -1 0 333.388 3.873 20 0 EHADRM CN(CC1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1)C(=O)[O-] ZINC000739652798 602408813 /nfs/dbraw/zinc/40/88/13/602408813.db2.gz UTFQVARLCVUHQG-UHFFFAOYSA-N -1 0 347.459 3.838 20 0 EHADRM C[C@H](NC(=O)[O-])C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000739008560 602408917 /nfs/dbraw/zinc/40/89/17/602408917.db2.gz MPHVDTFPNXBJRH-VIFPVBQESA-N -1 0 345.226 3.502 20 0 EHADRM O=C([O-])NC1(c2noc([C@H]3C[C@@H]3c3ccc(F)cc3)n2)CCCC1 ZINC000740548926 602413796 /nfs/dbraw/zinc/41/37/96/602413796.db2.gz MHLGBWZAEDOURQ-OLZOCXBDSA-N -1 0 331.347 3.517 20 0 EHADRM O=C([O-])NC1(c2noc([C@@H]3C[C@@H]3c3ccc(F)c(F)c3)n2)CCCC1 ZINC000740547758 602413809 /nfs/dbraw/zinc/41/38/09/602413809.db2.gz BPBCTMZATODXFQ-GHMZBOCLSA-N -1 0 349.337 3.656 20 0 EHADRM C[C@@H](NC(=O)[O-])c1nc(-c2ccc(OCc3ccccc3)cc2)no1 ZINC000739018518 602414966 /nfs/dbraw/zinc/41/49/66/602414966.db2.gz OUSFYTNGBWZMKV-GFCCVEGCSA-N -1 0 339.351 3.644 20 0 EHADRM O=C([O-])NC1(c2noc([C@@H]3C[C@H]3c3cccc(Cl)c3)n2)CCC1 ZINC000740548210 602416076 /nfs/dbraw/zinc/41/60/76/602416076.db2.gz FXZOYGKMZSPMQN-NWDGAFQWSA-N -1 0 333.775 3.641 20 0 EHADRM O=C([O-])NC1(c2noc([C@@H]3C[C@@H]3c3cccc(Cl)c3)n2)CCC1 ZINC000740548212 602416101 /nfs/dbraw/zinc/41/61/01/602416101.db2.gz FXZOYGKMZSPMQN-VXGBXAGGSA-N -1 0 333.775 3.641 20 0 EHADRM O=C([O-])NC1(c2noc(-c3cc(Cl)cc(Cl)c3)n2)CCC1 ZINC000740548180 602417578 /nfs/dbraw/zinc/41/75/78/602417578.db2.gz PFVOXHZIBDOPJX-UHFFFAOYSA-N -1 0 328.155 3.690 20 0 EHADRM O=C([O-])NC1(c2noc(-c3cccc(Cl)c3Cl)n2)CCC1 ZINC000740549739 602418183 /nfs/dbraw/zinc/41/81/83/602418183.db2.gz YUAHKHQCNVUZJW-UHFFFAOYSA-N -1 0 328.155 3.690 20 0 EHADRM COc1ccc(S[C@@H](C)c2nc(C3(NC(=O)[O-])CCC3)no2)cc1 ZINC000739932958 602418338 /nfs/dbraw/zinc/41/83/38/602418338.db2.gz ORTNKDHUWWENRY-JTQLQIEISA-N -1 0 349.412 3.578 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)Nc1cccc2ncccc21)c1ccccc1 ZINC000740539285 602454552 /nfs/dbraw/zinc/45/45/52/602454552.db2.gz HZCMNVCVRAFNPW-INIZCTEOSA-N -1 0 349.390 3.962 20 0 EHADRM Cc1ccc(NC(=O)CC[C@H](NC(=O)[O-])c2ccccc2)c(F)c1 ZINC000740139689 602455972 /nfs/dbraw/zinc/45/59/72/602455972.db2.gz XYHHEIUGJQNFGW-HNNXBMFYSA-N -1 0 330.359 3.862 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)N[C@H]1CCCc2occc21)c1ccccc1 ZINC000740539493 602457702 /nfs/dbraw/zinc/45/77/02/602457702.db2.gz PIEBPFQMNIFHTA-CVEARBPZSA-N -1 0 342.395 3.562 20 0 EHADRM CCN(C(=O)CC[C@H](NC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000739383239 602457949 /nfs/dbraw/zinc/45/79/49/602457949.db2.gz YJVZLJYWYDXGSD-KRWDZBQOSA-N -1 0 326.396 3.829 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)o1 ZINC000740112261 602459177 /nfs/dbraw/zinc/45/91/77/602459177.db2.gz BOFCCKDFOTYZKJ-UKRRQHHQSA-N -1 0 330.384 3.554 20 0 EHADRM CCN(Cc1ccccc1NC(=O)c1cccc(N(C)C)c1)C(=O)[O-] ZINC000739442800 602460067 /nfs/dbraw/zinc/46/00/67/602460067.db2.gz LJRBXHWNLZPJAG-UHFFFAOYSA-N -1 0 341.411 3.505 20 0 EHADRM CCOc1ccc([C@@H](C)NC(=O)c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000739497194 602482315 /nfs/dbraw/zinc/48/23/15/602482315.db2.gz OAIXCZQGMYUMQD-LLVKDONJSA-N -1 0 346.358 3.805 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2nc(C(F)(F)F)cs2)ccc1F ZINC000740699304 602485162 /nfs/dbraw/zinc/48/51/62/602485162.db2.gz SSSQMYCEZKFEOG-UHFFFAOYSA-N -1 0 349.265 3.643 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2nc(-c3ccco3)cs2)ccc1F ZINC000740699254 602485167 /nfs/dbraw/zinc/48/51/67/602485167.db2.gz SHNNJTGEILIZQH-UHFFFAOYSA-N -1 0 347.327 3.884 20 0 EHADRM CCOc1ccc(NC(=O)c2ccc(F)c(NC(=O)[O-])c2)cc1F ZINC000739502763 602485537 /nfs/dbraw/zinc/48/55/37/602485537.db2.gz XVHFIUQPZUJIIK-UHFFFAOYSA-N -1 0 336.294 3.706 20 0 EHADRM CN1CCCc2cc(NC(=O)c3ccc(F)c(NC(=O)[O-])c3)ccc21 ZINC000739732534 602486452 /nfs/dbraw/zinc/48/64/52/602486452.db2.gz XSOLCJUQIXQDNL-UHFFFAOYSA-N -1 0 343.358 3.550 20 0 EHADRM Cc1ccccc1C1(CNC(=O)c2ccc(F)c(NC(=O)[O-])c2)CC1 ZINC000740180129 602488031 /nfs/dbraw/zinc/48/80/31/602488031.db2.gz BEYWHNPEISOIHB-UHFFFAOYSA-N -1 0 342.370 3.686 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2nc(Cl)ccc2Cl)cc1 ZINC000740711482 602500979 /nfs/dbraw/zinc/50/09/79/602500979.db2.gz BVOAFKBLZWOAAK-UHFFFAOYSA-N -1 0 326.139 3.731 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cc(Br)cs2)cc1 ZINC000740711803 602504582 /nfs/dbraw/zinc/50/45/82/602504582.db2.gz DZXYLYZSQKUHNR-UHFFFAOYSA-N -1 0 341.186 3.853 20 0 EHADRM Cn1cc(C(=O)Nc2ccc(NC(=O)[O-])cc2)c(C2CCCCC2)n1 ZINC000738404884 602505153 /nfs/dbraw/zinc/50/51/53/602505153.db2.gz INGLLXWRYSPHIS-UHFFFAOYSA-N -1 0 342.399 3.810 20 0 EHADRM Cc1ccc(F)c(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])c1 ZINC000740128471 602510402 /nfs/dbraw/zinc/51/04/02/602510402.db2.gz XPUGWXWYRDBAQT-UHFFFAOYSA-N -1 0 328.343 3.817 20 0 EHADRM Cc1c(Cl)c(CN2CCC(N(C)C(=O)[O-])CC2)nc2ccccc12 ZINC000738201816 602535505 /nfs/dbraw/zinc/53/55/05/602535505.db2.gz HMMUGPSBFXVLTE-UHFFFAOYSA-N -1 0 347.846 3.771 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)Nc3ccccc3F)ccc21 ZINC000740466008 602554634 /nfs/dbraw/zinc/55/46/34/602554634.db2.gz VJIRVRYACAWFNC-UHFFFAOYSA-N -1 0 329.331 3.900 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@H]([C@@H]3CCCN3C(=O)[O-])C2)cc1F ZINC000740142124 602581069 /nfs/dbraw/zinc/58/10/69/602581069.db2.gz VDFUVTUTBLFPNK-BBRMVZONSA-N -1 0 349.406 3.520 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NCc2ccco2)c(C(F)(F)F)c1 ZINC000740710643 602598825 /nfs/dbraw/zinc/59/88/25/602598825.db2.gz HSBOTECIVSJXND-UHFFFAOYSA-N -1 0 343.261 3.710 20 0 EHADRM COc1ccccc1[C@H](C)NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739960302 602601753 /nfs/dbraw/zinc/60/17/53/602601753.db2.gz PCRKBXAQQCDESF-NSHDSACASA-N -1 0 329.356 3.668 20 0 EHADRM C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739099142 602605639 /nfs/dbraw/zinc/60/56/39/602605639.db2.gz LFYSPDISENHEMT-WFASDCNBSA-N -1 0 331.416 3.817 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)NC3CCCCCC3)ccc21 ZINC000740465022 602606535 /nfs/dbraw/zinc/60/65/35/602606535.db2.gz OBIAFRAEHCTWDK-UHFFFAOYSA-N -1 0 331.416 3.962 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)N3CCC[C@H]3C3CC3)ccc21 ZINC000740522989 602608121 /nfs/dbraw/zinc/60/81/21/602608121.db2.gz AULZABPZICZTRX-HNNXBMFYSA-N -1 0 329.400 3.524 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)c2ccc(F)c(NC(=O)[O-])c2)c(C)c1 ZINC000740120712 602673404 /nfs/dbraw/zinc/67/34/04/602673404.db2.gz MKQDUJKOSVDOPH-CYBMUJFWSA-N -1 0 344.386 3.893 20 0 EHADRM O=C([O-])NC1(c2nc(-c3ccc4c(c3)OCO4)cs2)CCCC1 ZINC000740547605 602685355 /nfs/dbraw/zinc/68/53/55/602685355.db2.gz HFPSZMSQDCOWDW-UHFFFAOYSA-N -1 0 332.381 3.576 20 0 EHADRM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2cc(NC(=O)[O-])ccc2F)c1 ZINC000739951983 602726418 /nfs/dbraw/zinc/72/64/18/602726418.db2.gz XLQSGQRHESMUPH-KGLIPLIRSA-N -1 0 344.342 3.666 20 0 EHADRM Cc1cc(C)c([C@H](C)OC(=O)c2csc(CNC(=O)[O-])n2)c(C)c1 ZINC000740064231 602728290 /nfs/dbraw/zinc/72/82/90/602728290.db2.gz PVMVVXOXRPJASG-LBPRGKRZSA-N -1 0 348.424 3.754 20 0 EHADRM Cc1cc(C)c([C@@H](C)OC(=O)c2csc(CNC(=O)[O-])n2)c(C)c1 ZINC000740064227 602728311 /nfs/dbraw/zinc/72/83/11/602728311.db2.gz PVMVVXOXRPJASG-GFCCVEGCSA-N -1 0 348.424 3.754 20 0 EHADRM CCCC[C@@H](Nc1ccc(NC(=O)[O-])cc1)C(=O)Nc1cc(C)on1 ZINC000736982962 602730101 /nfs/dbraw/zinc/73/01/01/602730101.db2.gz WIZWOWJBRHGRIR-CQSZACIVSA-N -1 0 346.387 3.682 20 0 EHADRM CC(C)(CCCc1ccccc1)C(=O)NC[C@H]1CCCN(C(=O)[O-])C1 ZINC000738746590 602731783 /nfs/dbraw/zinc/73/17/83/602731783.db2.gz JLMQNZJZNHSOCH-QGZVFWFLSA-N -1 0 346.471 3.542 20 0 EHADRM COc1ccc(NC(=O)NC/C=C\c2ccccc2)cc1NC(=O)[O-] ZINC000739919290 602739647 /nfs/dbraw/zinc/73/96/47/602739647.db2.gz DANOUNAOWHWWHK-YVMONPNESA-N -1 0 341.367 3.620 20 0 EHADRM CCN(Cc1ccccc1NC(=O)CCc1csc(C)n1)C(=O)[O-] ZINC000739445671 602749987 /nfs/dbraw/zinc/74/99/87/602749987.db2.gz VEKDJWNAMRIYML-UHFFFAOYSA-N -1 0 347.440 3.523 20 0 EHADRM C[C@H](CC(=O)N(Cc1ccccc1)[C@H](C)c1cccs1)NC(=O)[O-] ZINC000824564228 602762051 /nfs/dbraw/zinc/76/20/51/602762051.db2.gz GNXSXHFTXGKATG-ZIAGYGMSSA-N -1 0 346.452 3.884 20 0 EHADRM Cc1ccccc1CN(Cc1ccccc1)C(=O)C[C@@H](C)NC(=O)[O-] ZINC000830573518 602763612 /nfs/dbraw/zinc/76/36/12/602763612.db2.gz NAEUXOZZAOMFCL-MRXNPFEDSA-N -1 0 340.423 3.570 20 0 EHADRM CC[C@H](NC(=O)[O-])C(=O)Nc1ccccc1O[C@@H](C)c1ccccc1 ZINC000739530139 602767364 /nfs/dbraw/zinc/76/73/64/602767364.db2.gz JMMFTBCRAQVXSZ-ZFWWWQNUSA-N -1 0 342.395 3.811 20 0 EHADRM O=C([O-])NC1(c2noc(CCc3cc(Cl)cs3)n2)CCCC1 ZINC000740550421 602779607 /nfs/dbraw/zinc/77/96/07/602779607.db2.gz WIGKKVAREIHTIY-UHFFFAOYSA-N -1 0 341.820 3.607 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)N[C@@H](CC2CC2)c2ccccc2)cc1 ZINC000740702533 602784174 /nfs/dbraw/zinc/78/41/74/602784174.db2.gz BIRCNNWASIKXDR-SFHVURJKSA-N -1 0 338.407 3.977 20 0 EHADRM CC[C@@H](NC(=O)CCC(C)(C)NC(=O)[O-])c1cccc(Cl)c1 ZINC000739261975 602789007 /nfs/dbraw/zinc/78/90/07/602789007.db2.gz IETOPMZXFPKYNB-CYBMUJFWSA-N -1 0 326.824 3.734 20 0 EHADRM Cc1ccccc1-c1csc(NC(=O)CCC(C)(C)NC(=O)[O-])n1 ZINC000740177949 602791343 /nfs/dbraw/zinc/79/13/43/602791343.db2.gz DKTGWPJZSBKNSV-UHFFFAOYSA-N -1 0 347.440 3.883 20 0 EHADRM O=C([O-])NC[C@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)cc1Cl ZINC000740630597 602804674 /nfs/dbraw/zinc/80/46/74/602804674.db2.gz LJYRIIHPQBEYLQ-NOZJJQNGSA-N -1 0 345.226 3.550 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)CCC(C)(C)NC(=O)[O-])ccc2o1 ZINC000738743207 602822268 /nfs/dbraw/zinc/82/22/68/602822268.db2.gz GNBGPJGZFRPBHX-UHFFFAOYSA-N -1 0 347.415 3.890 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)c2cccc3cc[nH]c32)c1 ZINC000829469409 602835804 /nfs/dbraw/zinc/83/58/04/602835804.db2.gz OVCROJPECHVKOF-UHFFFAOYSA-N -1 0 325.324 3.519 20 0 EHADRM Cc1ccc(CN(C)C(=O)[C@@H](C)[C@@H](NC(=O)[O-])c2ccccc2)s1 ZINC000830302747 602840306 /nfs/dbraw/zinc/84/03/06/602840306.db2.gz NGMGURNWLZXFIB-XJKSGUPXSA-N -1 0 346.452 3.660 20 0 EHADRM COc1ccc(NC(=O)c2coc3ccccc23)cc1NC(=O)[O-] ZINC000739917581 602841539 /nfs/dbraw/zinc/84/15/39/602841539.db2.gz CLBRMQZDYHEUFW-UHFFFAOYSA-N -1 0 326.308 3.784 20 0 EHADRM Cc1ccc([C@H]2CCCCCN2C(=O)CC2CCN(C(=O)[O-])CC2)o1 ZINC000740118220 602858321 /nfs/dbraw/zinc/85/83/21/602858321.db2.gz NNELBVGHDJTDSH-MRXNPFEDSA-N -1 0 348.443 3.812 20 0 EHADRM C[C@@H](NC(=O)c1ccc(CNC(=O)[O-])o1)c1csc2ccccc21 ZINC000825458647 602870247 /nfs/dbraw/zinc/87/02/47/602870247.db2.gz JPLUHHIPXYKAPV-SNVBAGLBSA-N -1 0 344.392 3.753 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N1Cc2ccccc2C1 ZINC000829174411 602870390 /nfs/dbraw/zinc/87/03/90/602870390.db2.gz SIDCYSPEMKBAOF-UHFFFAOYSA-N -1 0 346.770 3.595 20 0 EHADRM C[C@@H](CC(=O)Oc1cccc(CNC(=O)[O-])c1)c1cccc(F)c1 ZINC000738893216 602878207 /nfs/dbraw/zinc/87/82/07/602878207.db2.gz BKKFDYHXQFFCHS-LBPRGKRZSA-N -1 0 331.343 3.693 20 0 EHADRM CC[C@@H](NC(=O)Nc1cccc(CN(C)C(=O)[O-])c1)c1nccs1 ZINC000739263941 602903579 /nfs/dbraw/zinc/90/35/79/602903579.db2.gz GNMRIGMZUICXMA-CYBMUJFWSA-N -1 0 348.428 3.526 20 0 EHADRM C[C@H](CC(=O)Nc1cccc(CNC(=O)[O-])c1)c1cccc(F)c1 ZINC000738892950 602906762 /nfs/dbraw/zinc/90/67/62/602906762.db2.gz XPXLYZYZHUQHBS-GFCCVEGCSA-N -1 0 330.359 3.726 20 0 EHADRM CCc1nc([C@@H](C)NC(=O)c2ccc(C)c(NC(=O)[O-])c2)cs1 ZINC000827627377 602915365 /nfs/dbraw/zinc/91/53/65/602915365.db2.gz QUKYRNNNESTLLR-SNVBAGLBSA-N -1 0 333.413 3.595 20 0 EHADRM O=C([O-])NC1(c2noc(CC/C=C\c3ccccc3)n2)CCCC1 ZINC000740549610 602930902 /nfs/dbraw/zinc/93/09/02/602930902.db2.gz BSLXEHHPISSIML-WMZJFQQLSA-N -1 0 327.384 3.753 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@@H]1C(=O)Nc1ccc(-c2ccccc2)cc1F ZINC000740571478 602952305 /nfs/dbraw/zinc/95/23/05/602952305.db2.gz PIJHIHJYYHAUDB-HOCLYGCPSA-N -1 0 342.370 3.868 20 0 EHADRM Cc1nn(C(C)(C)C)c(C)c1C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000738375482 602957598 /nfs/dbraw/zinc/95/75/98/602957598.db2.gz XHTVYAMUCZOEPP-UHFFFAOYSA-N -1 0 331.372 3.564 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)CSCc2ccc(F)cc2)cc1 ZINC000738668401 602959651 /nfs/dbraw/zinc/95/96/51/602959651.db2.gz ANXICVNDXJLJHS-UHFFFAOYSA-N -1 0 335.356 3.754 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)C[C@H]2CCOc3ccccc32)cc1 ZINC000738667827 602961314 /nfs/dbraw/zinc/96/13/14/602961314.db2.gz UIQCKHBUSURRSN-GFCCVEGCSA-N -1 0 327.336 3.638 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)COc2ccc(F)cc2Cl)cc1 ZINC000738669692 602961531 /nfs/dbraw/zinc/96/15/31/602961531.db2.gz NPSHBLUOZBADQD-UHFFFAOYSA-N -1 0 339.706 3.553 20 0 EHADRM Cc1cc(Cl)cc(NC(=O)Cc2ccc(NC(=O)[O-])cc2)c1O ZINC000740076127 602970205 /nfs/dbraw/zinc/97/02/05/602970205.db2.gz RHXBZFUFSPRYDW-UHFFFAOYSA-N -1 0 334.759 3.625 20 0 EHADRM C[C@H](NC(=O)[O-])C(=O)Oc1cccc(-c2nc(C(C)(C)C)cs2)c1 ZINC000738993818 602971704 /nfs/dbraw/zinc/97/17/04/602971704.db2.gz HGEYSRCYACPHGL-JTQLQIEISA-N -1 0 348.424 3.669 20 0 EHADRM C/C(=C/C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccccc1Cl ZINC000738503893 603003037 /nfs/dbraw/zinc/00/30/37/603003037.db2.gz JNVWXMMQXYGJQE-XGYPSLPDSA-N -1 0 348.830 3.533 20 0 EHADRM Cc1c2cccc(F)c2oc1-c1nc(C2(NC(=O)[O-])CCC2)no1 ZINC000740029372 603006057 /nfs/dbraw/zinc/00/60/57/603006057.db2.gz BVMJCGUKTCMRPF-UHFFFAOYSA-N -1 0 331.303 3.577 20 0 EHADRM Cc1cccc(O[C@H](C)CNC(=O)c2ccc(C)c(NC(=O)[O-])c2)c1 ZINC000830521263 603008064 /nfs/dbraw/zinc/00/80/64/603008064.db2.gz FDAWYBJETRNMJC-CQSZACIVSA-N -1 0 342.395 3.591 20 0 EHADRM Cc1[nH]c2ccc(-c3nc([C@@H](C)CN(C)C(=O)[O-])no3)cc2c1C ZINC000740033297 603009265 /nfs/dbraw/zinc/00/92/65/603009265.db2.gz GKHHIVIUEDKLIB-VIFPVBQESA-N -1 0 328.372 3.548 20 0 EHADRM Cc1cccc([C@H](C)CNC(=O)Cc2ccc(NC(=O)[O-])cc2)c1 ZINC000740158205 603012658 /nfs/dbraw/zinc/01/26/58/603012658.db2.gz JWAIFUFAMGHOKX-CQSZACIVSA-N -1 0 326.396 3.547 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc([C@H](C)Oc2cccc(Cl)c2)n1 ZINC000738908117 603014982 /nfs/dbraw/zinc/01/49/82/603014982.db2.gz NAQPBHFQLYEETK-ZJUUUORDSA-N -1 0 339.779 3.576 20 0 EHADRM O=C([O-])N[C@@H](CNC(=O)c1cc2ccccc2s1)c1ccccc1 ZINC000740532095 603016471 /nfs/dbraw/zinc/01/64/71/603016471.db2.gz BACMNADFQXQYQI-AWEZNQCLSA-N -1 0 340.404 3.640 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc(/C=C/c2nc3ccccc3s2)n1 ZINC000738912455 603017224 /nfs/dbraw/zinc/01/72/24/603017224.db2.gz YXMIECNKULRFHH-QROSGCPLSA-N -1 0 344.396 3.563 20 0 EHADRM Cc1ccc(CCNC(=O)Nc2cc(NC(=O)[O-])ccc2F)c(C)c1 ZINC000740124896 603031895 /nfs/dbraw/zinc/03/18/95/603031895.db2.gz NRDBBKPATWCRSE-UHFFFAOYSA-N -1 0 345.374 3.897 20 0 EHADRM CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1ccc(Oc2ccccn2)cc1 ZINC000739298717 603032488 /nfs/dbraw/zinc/03/24/88/603032488.db2.gz GKOYBUDMDLDKBO-GOSISDBHSA-N -1 0 343.383 3.639 20 0 EHADRM Cc1ccc(CN(C)C(=O)Nc2cc(NC(=O)[O-])ccc2F)cc1 ZINC000740120589 603034663 /nfs/dbraw/zinc/03/46/63/603034663.db2.gz CQFCLIYPIBPYBT-UHFFFAOYSA-N -1 0 331.347 3.888 20 0 EHADRM Cc1csc([C@H](C)NC(=O)Nc2cc(NC(=O)[O-])ccc2F)n1 ZINC000740205935 603038541 /nfs/dbraw/zinc/03/85/41/603038541.db2.gz SFWNCBNDLAOTPY-QMMMGPOBSA-N -1 0 338.364 3.563 20 0 EHADRM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)C2CCC(NC(=O)[O-])CC2)C1 ZINC000739082104 603038810 /nfs/dbraw/zinc/03/88/10/603038810.db2.gz LNCAFQPZSBQJPF-KLBWVBMESA-N -1 0 348.418 3.562 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)CSc2ccc(F)cc2)cc1 ZINC000827908421 603039522 /nfs/dbraw/zinc/03/95/22/603039522.db2.gz KNCSGQZNFITSMB-UHFFFAOYSA-N -1 0 335.356 3.638 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)c1 ZINC000740707392 603039888 /nfs/dbraw/zinc/03/98/88/603039888.db2.gz PDSAIJMATGVURF-OCCSQVGLSA-N -1 0 347.321 3.732 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)NC[C@H]2CCc3ccccc32)c1 ZINC000740707030 603043244 /nfs/dbraw/zinc/04/32/44/603043244.db2.gz LSBTYZXFMPIZIR-GFCCVEGCSA-N -1 0 343.358 3.767 20 0 EHADRM O=C([O-])NCCCCCCC(=O)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000740648681 603043248 /nfs/dbraw/zinc/04/32/48/603043248.db2.gz UWUWPWHARPFQNG-HNNXBMFYSA-N -1 0 338.835 3.832 20 0 EHADRM O=C([O-])Nc1ccc(Cc2nc(-c3nccc4ccccc43)no2)cc1 ZINC000740703198 603047239 /nfs/dbraw/zinc/04/72/39/603047239.db2.gz CBUGAUVCXCNIQT-UHFFFAOYSA-N -1 0 346.346 3.966 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)C(C)(C)Cc2ccccc2)cc1 ZINC000827901353 603049828 /nfs/dbraw/zinc/04/98/28/603049828.db2.gz VSFCCOLBNNTJSE-UHFFFAOYSA-N -1 0 327.380 3.975 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)c2nc(Cl)ccc2Cl)cc1 ZINC000827922052 603052250 /nfs/dbraw/zinc/05/22/50/603052250.db2.gz XFRUKRANLNQSIL-UHFFFAOYSA-N -1 0 341.150 3.722 20 0 EHADRM CCCCOCC(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000739334538 603055090 /nfs/dbraw/zinc/05/50/90/603055090.db2.gz OGQDJDNMUOGWFD-UHFFFAOYSA-N -1 0 334.294 3.551 20 0 EHADRM O=C([O-])NC1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000740557484 603078806 /nfs/dbraw/zinc/07/88/06/603078806.db2.gz CHTQRXDBZHQLHE-UHFFFAOYSA-N -1 0 338.407 3.662 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000736415807 603079862 /nfs/dbraw/zinc/07/98/62/603079862.db2.gz LZJXDUSMJUUZAR-QGZVFWFLSA-N -1 0 348.443 3.767 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc3scnc3c2)cc1NC(=O)[O-] ZINC000740108325 603100879 /nfs/dbraw/zinc/10/08/79/603100879.db2.gz VQYZYKOELXVXSG-UHFFFAOYSA-N -1 0 327.365 3.947 20 0 EHADRM CC[C@@H](CC1CCCCC1)C(=O)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000739258261 603110352 /nfs/dbraw/zinc/11/03/52/603110352.db2.gz PXGQJANJDIOOQD-KRWDZBQOSA-N -1 0 338.492 3.831 20 0 EHADRM CC[C@@H]1CCCCCN1C(=O)Nc1cccc(OCCNC(=O)[O-])c1 ZINC000739271235 603138505 /nfs/dbraw/zinc/13/85/05/603138505.db2.gz OGKJARYMWHJXEZ-OAHLLOKOSA-N -1 0 349.431 3.520 20 0 EHADRM C[C@H]1C[C@H](NC(=O)Nc2ccccc2CN(C)C(=O)[O-])C[C@@H](C)C1 ZINC000739071524 603140087 /nfs/dbraw/zinc/14/00/87/603140087.db2.gz AUOFAXIEWUEUPE-NHAGDIPZSA-N -1 0 333.432 3.743 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000740576354 603149211 /nfs/dbraw/zinc/14/92/11/603149211.db2.gz UCKIRSREVIQMOD-SCZZXKLOSA-N -1 0 331.199 3.758 20 0 EHADRM Cc1cc(C)cc(NC(=O)[C@@H](C)Oc2ccc(NC(=O)[O-])cc2)c1 ZINC000830004778 603155970 /nfs/dbraw/zinc/15/59/70/603155970.db2.gz SKDNMWUJVCGQIM-CYBMUJFWSA-N -1 0 328.368 3.799 20 0 EHADRM C[C@H](c1ccc(F)cc1)N(C)C(=O)COc1ccc(NC(=O)[O-])cc1 ZINC000737720670 603156624 /nfs/dbraw/zinc/15/66/24/603156624.db2.gz IRSYTMRSOMVMHN-GFCCVEGCSA-N -1 0 346.358 3.514 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)Nc2ccc(Cl)c3ncccc23)C1 ZINC000740575945 603163418 /nfs/dbraw/zinc/16/34/18/603163418.db2.gz SNMPJHMVVQUQRZ-GHMZBOCLSA-N -1 0 347.802 3.653 20 0 EHADRM CN(C(=O)Nc1ccc(NC(=O)[O-])cc1)[C@H]1CCc2ccccc2C1 ZINC000737329378 603163607 /nfs/dbraw/zinc/16/36/07/603163607.db2.gz MNCVRGXCFHIXLK-KRWDZBQOSA-N -1 0 339.395 3.798 20 0 EHADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739060205 603164544 /nfs/dbraw/zinc/16/45/44/603164544.db2.gz WELYMHWFBPHYOJ-KYOSRNDESA-N -1 0 338.835 3.686 20 0 EHADRM Cc1c(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)cnn1C(C)(C)C ZINC000829854452 603174017 /nfs/dbraw/zinc/17/40/17/603174017.db2.gz IQDNSRIXRLQOTP-NSHDSACASA-N -1 0 344.415 3.527 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)Nc2ccccc2OC2CCCC2)C1 ZINC000740570318 603174986 /nfs/dbraw/zinc/17/49/86/603174986.db2.gz XNZYZMJORVNRRN-KGLIPLIRSA-N -1 0 346.427 3.773 20 0 EHADRM CSc1ccc(C(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)cc1 ZINC000740016515 603176799 /nfs/dbraw/zinc/17/67/99/603176799.db2.gz PXYGPCATKLXQJL-UHFFFAOYSA-N -1 0 342.420 3.697 20 0 EHADRM COc1ccc([C@@H](C)C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1 ZINC000829292325 603177865 /nfs/dbraw/zinc/17/78/65/603177865.db2.gz DRPOBRWDJFMRKQ-CHWSQXEVSA-N -1 0 342.395 3.766 20 0 EHADRM C[C@@H](NC(=O)c1ccc(NC(=O)[O-])cc1)c1nc2ccccc2s1 ZINC000736657156 603180724 /nfs/dbraw/zinc/18/07/24/603180724.db2.gz PWKWRGPCYDLGIN-SNVBAGLBSA-N -1 0 341.392 3.877 20 0 EHADRM COc1ccc(/C=C\C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)cc1 ZINC000829331367 603181623 /nfs/dbraw/zinc/18/16/23/603181623.db2.gz IHBLWWVOPBZLCV-XLVZXTRVSA-N -1 0 340.379 3.676 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)/C=C\c2cccc(F)c2)cc1 ZINC000825418820 603184450 /nfs/dbraw/zinc/18/44/50/603184450.db2.gz XXOXZAUABPYRPX-JSJZCHLLSA-N -1 0 328.343 3.806 20 0 EHADRM CC(C)(NC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000738753762 603193061 /nfs/dbraw/zinc/19/30/61/603193061.db2.gz YETPTHQLEMILKC-RISCZKNCSA-N -1 0 338.835 3.518 20 0 EHADRM Cc1ccc2oc(C(=O)Nc3ccc([C@@H](C)NC(=O)[O-])cc3)cc2n1 ZINC000830459669 603195633 /nfs/dbraw/zinc/19/56/33/603195633.db2.gz ISWSJGKFYGCBIG-LLVKDONJSA-N -1 0 339.351 3.717 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)cc1 ZINC000738663009 603196114 /nfs/dbraw/zinc/19/61/14/603196114.db2.gz GDPQPDVBZGFFIB-CHWSQXEVSA-N -1 0 332.306 3.797 20 0 EHADRM CO[C@@H]1CCC[C@@H](OC(=O)c2ccc(NC(=O)[O-])cc2Cl)C1 ZINC000739802416 603199143 /nfs/dbraw/zinc/19/91/43/603199143.db2.gz LYGZUOFBSJNLKH-GHMZBOCLSA-N -1 0 327.764 3.544 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2nc3ccccc3[nH]2)c(Cl)c1 ZINC000740701401 603199401 /nfs/dbraw/zinc/19/94/01/603199401.db2.gz WYTOLSZRGRGJGI-UHFFFAOYSA-N -1 0 330.731 3.559 20 0 EHADRM Cc1ccc(Oc2ccccc2NC(=O)[C@H]2CCN(C(=O)[O-])C2)cc1 ZINC000740144124 603203128 /nfs/dbraw/zinc/20/31/28/603203128.db2.gz MHGQHOYVZGLUMH-AWEZNQCLSA-N -1 0 340.379 3.726 20 0 EHADRM COc1ccccc1[C@@H](C)NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739961003 603204292 /nfs/dbraw/zinc/20/42/92/603204292.db2.gz RLEYSWZIYAMWEG-SNVBAGLBSA-N -1 0 348.786 3.930 20 0 EHADRM C[C@H](CNC(=O)c1ccc(NC(=O)[O-])cc1)c1ccc(F)cc1F ZINC000824972913 603207618 /nfs/dbraw/zinc/20/76/18/603207618.db2.gz BBKBTTCMUFGHKU-SNVBAGLBSA-N -1 0 334.322 3.588 20 0 EHADRM Cc1ccc(C)c(NC(=O)[C@@H](C)[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000830267477 603208577 /nfs/dbraw/zinc/20/85/77/603208577.db2.gz DVMVQZKRAPARRL-YOEHRIQHSA-N -1 0 326.396 3.887 20 0 EHADRM Cc1ccc(NC(=O)[C@H](C)[C@@H](NC(=O)[O-])c2ccccc2)c(C)c1 ZINC000830354055 603211661 /nfs/dbraw/zinc/21/16/61/603211661.db2.gz XKRFEHPWSCUXRD-RHSMWYFYSA-N -1 0 326.396 3.887 20 0 EHADRM C[C@@H](C(=O)NCc1cccc(Cl)c1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823705485 603216296 /nfs/dbraw/zinc/21/62/96/603216296.db2.gz WRWZDWQKRDVKFV-MLGOLLRUSA-N -1 0 346.814 3.601 20 0 EHADRM Cc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1NC(=O)[O-] ZINC000830220127 603220601 /nfs/dbraw/zinc/22/06/01/603220601.db2.gz OKDYGBLXXVTJBB-UHFFFAOYSA-N -1 0 337.379 3.539 20 0 EHADRM COc1cccc(NC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)c1 ZINC000829571594 603243176 /nfs/dbraw/zinc/24/31/76/603243176.db2.gz PLFHCSUCLYBOGI-NSHDSACASA-N -1 0 329.356 3.668 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)N[C@H]1CCCC[C@@H]1CNC(=O)[O-] ZINC000823859341 603250708 /nfs/dbraw/zinc/25/07/08/603250708.db2.gz MHCDLXLVXXRLCE-HIFRSBDPSA-N -1 0 347.459 3.932 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)N[C@H]1CCCC[C@H]1CNC(=O)[O-] ZINC000823859343 603250816 /nfs/dbraw/zinc/25/08/16/603250816.db2.gz MHCDLXLVXXRLCE-ZFWWWQNUSA-N -1 0 347.459 3.932 20 0 EHADRM Cc1cccc(OCCN(C)C(=O)c2ccc(C)c(NC(=O)[O-])c2)c1 ZINC000830526630 603260442 /nfs/dbraw/zinc/26/04/42/603260442.db2.gz BTGATONNSPEFGB-UHFFFAOYSA-N -1 0 342.395 3.544 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)NC2(c3cccc(Cl)c3)CC2)cc1 ZINC000740673542 603262284 /nfs/dbraw/zinc/26/22/84/603262284.db2.gz JDVUQQUZORZCPH-UHFFFAOYSA-N -1 0 344.798 3.527 20 0 EHADRM Cc1ccc(F)cc1NC(=O)[C@H](NC(=O)[O-])c1cccc(Cl)c1 ZINC000740130082 603263021 /nfs/dbraw/zinc/26/30/21/603263021.db2.gz QMFPLWNPKLDZSD-CQSZACIVSA-N -1 0 336.750 3.735 20 0 EHADRM C[C@H](NC(=O)[C@H](NC(=O)[O-])c1cccc(Cl)c1)c1cccs1 ZINC000738954572 603265648 /nfs/dbraw/zinc/26/56/48/603265648.db2.gz YQZCOMVJEWYBCU-TVQRCGJNSA-N -1 0 338.816 3.588 20 0 EHADRM Cc1ccc(C(=O)N2CCc3[nH]c4ccccc4c3C2)cc1NC(=O)[O-] ZINC000830197920 603268042 /nfs/dbraw/zinc/26/80/42/603268042.db2.gz DLDNFLMBCADFSL-UHFFFAOYSA-N -1 0 349.390 3.765 20 0 EHADRM Cc1ccc(NC(=O)[C@H](NC(=O)[O-])c2cccc(Cl)c2)c(F)c1 ZINC000740133813 603268985 /nfs/dbraw/zinc/26/89/85/603268985.db2.gz ISFMMVWYBGMJPC-CQSZACIVSA-N -1 0 336.750 3.735 20 0 EHADRM COc1ccc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)cc1NC(=O)[O-] ZINC000829465199 603270934 /nfs/dbraw/zinc/27/09/34/603270934.db2.gz KOLSWEXGILPJIZ-FRRDWIJNSA-N -1 0 347.415 3.875 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1ccc(CNC(=O)[O-])o1)c1ccccc1 ZINC000824219119 603271554 /nfs/dbraw/zinc/27/15/54/603271554.db2.gz RELLZMJHBIBOLP-OAHLLOKOSA-N -1 0 330.384 3.564 20 0 EHADRM CC(C)c1ccc([C@H]2C[C@H]2C(=O)N(C)C2CCN(C(=O)[O-])CC2)cc1 ZINC000738883106 603276994 /nfs/dbraw/zinc/27/69/94/603276994.db2.gz OGZBXSDINZNZNB-QZTJIDSGSA-N -1 0 344.455 3.514 20 0 EHADRM CCOc1ccccc1NC(=O)[C@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000827459665 603277516 /nfs/dbraw/zinc/27/75/16/603277516.db2.gz IQONPFVESPHBDD-DYVFJYSZSA-N -1 0 342.395 3.669 20 0 EHADRM CCSCc1cccc(NC(=O)[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000739519752 603278264 /nfs/dbraw/zinc/27/82/64/603278264.db2.gz WGFHULBDNWYQNU-MRXNPFEDSA-N -1 0 344.436 3.887 20 0 EHADRM CCc1ccccc1NC(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000827598884 603279592 /nfs/dbraw/zinc/27/95/92/603279592.db2.gz AJLJQCMXLPUFNJ-GUYCJALGSA-N -1 0 326.396 3.833 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2ccc3[nH]cnc3c2)c(Cl)c1 ZINC000740700355 603291350 /nfs/dbraw/zinc/29/13/50/603291350.db2.gz IKNHXQZENYSVMZ-UHFFFAOYSA-N -1 0 330.731 3.559 20 0 EHADRM CCCN(CC(C)C)C(=O)Nc1cccc2c1CCN(C(=O)[O-])C2 ZINC000739353968 603293086 /nfs/dbraw/zinc/29/30/86/603293086.db2.gz NRAVBUVLZSUWGY-UHFFFAOYSA-N -1 0 333.432 3.623 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)[C@H](C)[C@@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000830251599 603299766 /nfs/dbraw/zinc/29/97/66/603299766.db2.gz RDNZMCOIOBWJAA-RVKKMQEKSA-N -1 0 340.423 3.817 20 0 EHADRM O=C([O-])NC[C@@H]1CCCN1C(=O)Nc1cccc(-c2cccs2)c1 ZINC000832557162 603300718 /nfs/dbraw/zinc/30/07/18/603300718.db2.gz TWJGTVDBKYCTEX-AWEZNQCLSA-N -1 0 345.424 3.679 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)NCC(C3CC3)C3CC3)ccc21 ZINC000831615793 603313609 /nfs/dbraw/zinc/31/36/09/603313609.db2.gz FNNDZQDWWFGEJN-UHFFFAOYSA-N -1 0 343.427 3.675 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)N(C)CCCNC(=O)[O-] ZINC000739517338 603318772 /nfs/dbraw/zinc/31/87/72/603318772.db2.gz LJBVVVWOIUIUSV-UHFFFAOYSA-N -1 0 345.852 3.573 20 0 EHADRM C[C@H](NC(=O)Nc1cccc(CNC(=O)[O-])c1)c1cc(F)ccc1F ZINC000738988943 603323252 /nfs/dbraw/zinc/32/32/52/603323252.db2.gz PYSRCWDJZHYSCP-JTQLQIEISA-N -1 0 349.337 3.615 20 0 EHADRM CN(Cc1ccccc1NC(=O)NC(C)(C)c1cccs1)C(=O)[O-] ZINC000739712561 603335912 /nfs/dbraw/zinc/33/59/12/603335912.db2.gz FBZODNGRVVYCDB-UHFFFAOYSA-N -1 0 347.440 3.915 20 0 EHADRM Cc1ccc(C(=O)N(C)CCCc2ccccc2)cc1NC(=O)[O-] ZINC000830182263 603336026 /nfs/dbraw/zinc/33/60/26/603336026.db2.gz WDARGFWZFMTTFT-UHFFFAOYSA-N -1 0 326.396 3.790 20 0 EHADRM CCN(Cc1ccccc1NC(=O)c1cccc2cc[nH]c21)C(=O)[O-] ZINC000827186899 603352590 /nfs/dbraw/zinc/35/25/90/603352590.db2.gz ITFRCRZGILYSJS-UHFFFAOYSA-N -1 0 337.379 3.920 20 0 EHADRM CCN(Cc1ccccc1NC(=O)Nc1cccc(OC)c1)C(=O)[O-] ZINC000739444403 603353207 /nfs/dbraw/zinc/35/32/07/603353207.db2.gz XVGHHFBGAXYJFP-UHFFFAOYSA-N -1 0 343.383 3.839 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1ccc(CNC(=O)[O-])o1)c1ccccc1 ZINC000823759769 603359491 /nfs/dbraw/zinc/35/94/91/603359491.db2.gz KSQJUJCFGPVEIA-OAHLLOKOSA-N -1 0 330.384 3.564 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)NCc2cccc(Cl)c2)cc1 ZINC000825433287 603363933 /nfs/dbraw/zinc/36/39/33/603363933.db2.gz AHCIZTRRZDFOIR-LLVKDONJSA-N -1 0 347.802 3.990 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N(C)[C@@H](C)c2ccncc2)cc1 ZINC000825422857 603365368 /nfs/dbraw/zinc/36/53/68/603365368.db2.gz LODSAFADZRLRRG-STQMWFEESA-N -1 0 342.399 3.635 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1)c1ccncc1 ZINC000826613585 603366900 /nfs/dbraw/zinc/36/69/00/603366900.db2.gz MMVINKZJWBNPGF-MLGOLLRUSA-N -1 0 342.399 3.683 20 0 EHADRM O=C([O-])N1CCC[C@H]1CC(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000832006665 603371563 /nfs/dbraw/zinc/37/15/63/603371563.db2.gz UDCRERYNPKXOEL-SWLSCSKDSA-N -1 0 336.819 3.536 20 0 EHADRM CCCCSc1nnc(SC[C@H]2CCN(C(=O)[O-])C2)s1 ZINC000739343783 603372630 /nfs/dbraw/zinc/37/26/30/603372630.db2.gz ZMTWCZUTTIHBLS-VIFPVBQESA-N -1 0 333.504 3.522 20 0 EHADRM CCN(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)C(=O)[O-] ZINC000739391096 603376953 /nfs/dbraw/zinc/37/69/53/603376953.db2.gz BXNHENORQKZXTD-UHFFFAOYSA-N -1 0 325.579 3.585 20 0 EHADRM CCc1ccccc1NC(=S)NC[C@H](NC(=O)[O-])c1ccccc1 ZINC000739548147 603378230 /nfs/dbraw/zinc/37/82/30/603378230.db2.gz BIXWYVJFWGUGGY-INIZCTEOSA-N -1 0 343.452 3.544 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N[C@H](C)c2cccc(O)c2)cc1 ZINC000825426853 603382014 /nfs/dbraw/zinc/38/20/14/603382014.db2.gz LAQBQCZWPDCNEH-VXGBXAGGSA-N -1 0 343.383 3.604 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N2CCC[C@@H]2c2ccco2)cc1 ZINC000825427223 603383979 /nfs/dbraw/zinc/38/39/79/603383979.db2.gz RNUGJARNYCOHPG-IUODEOHRSA-N -1 0 343.383 3.977 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(OC2CCCC2)c(Cl)c1)NC(=O)[O-] ZINC000824694709 603397222 /nfs/dbraw/zinc/39/72/22/603397222.db2.gz HOXFMSRMENBXDO-SNVBAGLBSA-N -1 0 340.807 3.646 20 0 EHADRM Cc1cc(C)c(NC(=S)NC[C@H](NC(=O)[O-])C(C)C)c(Cl)c1 ZINC000740064792 603397684 /nfs/dbraw/zinc/39/76/84/603397684.db2.gz AHSQWSLPDLVWNG-LBPRGKRZSA-N -1 0 343.880 3.535 20 0 EHADRM Cc1cc(C)cc(OCCNC(=O)c2ccc(C)c(NC(=O)[O-])c2)c1 ZINC000830003177 603398224 /nfs/dbraw/zinc/39/82/24/603398224.db2.gz FSMKLAVLDVUOHE-UHFFFAOYSA-N -1 0 342.395 3.511 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@@H]1c1cccc2ccccc21)NC(=O)[O-] ZINC000824581157 603398777 /nfs/dbraw/zinc/39/87/77/603398777.db2.gz LHEAQOSQGXFMFI-CXAGYDPISA-N -1 0 326.396 3.550 20 0 EHADRM O=C(C[C@H]1CCc2ccccc21)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000740353005 603399303 /nfs/dbraw/zinc/39/93/03/603399303.db2.gz IAFWQHNXFCJKQS-CQSZACIVSA-N -1 0 336.391 3.786 20 0 EHADRM O=C(C[C@@H]1CCc2ccccc21)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000740353003 603399310 /nfs/dbraw/zinc/39/93/10/603399310.db2.gz IAFWQHNXFCJKQS-AWEZNQCLSA-N -1 0 336.391 3.786 20 0 EHADRM C[C@@H](CC(=O)N([C@@H](C)c1ccc2ccccc2c1)C1CC1)NC(=O)[O-] ZINC000824557585 603400943 /nfs/dbraw/zinc/40/09/43/603400943.db2.gz HTSOSKXVDXWTAE-KBPBESRZSA-N -1 0 340.423 3.938 20 0 EHADRM C[C@@H](C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2)c1cccc(F)c1 ZINC000738630606 603418887 /nfs/dbraw/zinc/41/88/87/603418887.db2.gz LGSAZNLFRRHAJV-GFCCVEGCSA-N -1 0 342.370 3.604 20 0 EHADRM C[C@@H](C(=O)Nc1cccc2c1CCN(C(=O)[O-])C2)c1cccc(F)c1 ZINC000738636957 603421071 /nfs/dbraw/zinc/42/10/71/603421071.db2.gz IEODCDXPRSZZJK-GFCCVEGCSA-N -1 0 342.370 3.604 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc([C@@H]2C[C@@]23CCCc2ccccc23)n1 ZINC000824901270 603421814 /nfs/dbraw/zinc/42/18/14/603421814.db2.gz GHNOTSIPEMDKFZ-XFHNUULXSA-N -1 0 341.411 3.545 20 0 EHADRM Cc1cc(CNC(=O)[O-])ccc1N(C(=O)C[C@H](C)C1CC1)C1CC1 ZINC000740076791 603428297 /nfs/dbraw/zinc/42/82/97/603428297.db2.gz MCBLYWLCGSEPFK-LBPRGKRZSA-N -1 0 330.428 3.694 20 0 EHADRM CSc1ccccc1C(=O)N1CCCN(C(=O)[O-])c2ccccc21 ZINC000740023806 603431107 /nfs/dbraw/zinc/43/11/07/603431107.db2.gz SAUMYFZNJXUHPJ-UHFFFAOYSA-N -1 0 342.420 3.943 20 0 EHADRM C[C@H]1CN(C)c2ccccc2N(C(=O)c2ccc(NC(=O)[O-])cc2)C1 ZINC000736810245 603434513 /nfs/dbraw/zinc/43/45/13/603434513.db2.gz SYVSKZPSQUCVPI-ZDUSSCGKSA-N -1 0 339.395 3.509 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(CNC(=O)[O-])cc2)c2ccccc2S1 ZINC000826034067 603442228 /nfs/dbraw/zinc/44/22/28/603442228.db2.gz FAPNFBCEOROUIO-LBPRGKRZSA-N -1 0 342.420 3.595 20 0 EHADRM CCC1(CC)CCN(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])C1 ZINC000826649636 603469967 /nfs/dbraw/zinc/46/99/67/603469967.db2.gz IDDUVYMDKZLMSI-UHFFFAOYSA-N -1 0 331.416 3.771 20 0 EHADRM O=C([O-])N[C@H]1CC[C@H](C(=O)Nc2ccc3c(c2)oc2ccccc23)C1 ZINC000832289562 603478479 /nfs/dbraw/zinc/47/84/79/603478479.db2.gz ZASLPGQAIUYPRI-RYUDHWBXSA-N -1 0 338.363 3.961 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)C[C@@H](Cc2ccccc2)NC(=O)[O-])s1 ZINC000830250338 603510906 /nfs/dbraw/zinc/51/09/06/603510906.db2.gz AXUPEOQNYWAXQS-DZGCQCFKSA-N -1 0 346.452 3.503 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N[C@@H]1CCCC[C@H]1C ZINC000829174167 603526603 /nfs/dbraw/zinc/52/66/03/603526603.db2.gz QLHVWKGLIMBNQF-BXKDBHETSA-N -1 0 340.807 3.747 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N(C(C)C)C(C)C ZINC000829167701 603535993 /nfs/dbraw/zinc/53/59/93/603535993.db2.gz OVAXBXVTIRHRGF-UHFFFAOYSA-N -1 0 328.796 3.698 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2cc(Cl)c(Cl)cn2)ccc1F ZINC000832820585 603547703 /nfs/dbraw/zinc/54/77/03/603547703.db2.gz HSAGVFPSNVKIQN-UHFFFAOYSA-N -1 0 344.129 3.870 20 0 EHADRM Cc1cc(SC(C)(C)C)ccc1NC(=O)CC1CN(C(=O)[O-])C1 ZINC000830138544 603571337 /nfs/dbraw/zinc/57/13/37/603571337.db2.gz WGOXWSYMRNZHMN-UHFFFAOYSA-N -1 0 336.457 3.824 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000825858528 603583536 /nfs/dbraw/zinc/58/35/36/603583536.db2.gz BHKZNXLWBKNAFY-IGCXYCKISA-N -1 0 343.427 3.912 20 0 EHADRM CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1cccc(CN(CC)C(=O)[O-])c1 ZINC000826661796 603598565 /nfs/dbraw/zinc/59/85/65/603598565.db2.gz SYNZAKBRISSIPD-CZUORRHYSA-N -1 0 333.432 3.839 20 0 EHADRM Cc1cccc(NC(=O)N[C@H](C)[C@@H]2CCCN(C(=O)[O-])C2)c1Cl ZINC000830516666 603608853 /nfs/dbraw/zinc/60/88/53/603608853.db2.gz IVVCLNXDUARGLZ-VXGBXAGGSA-N -1 0 339.823 3.548 20 0 EHADRM Cc1cccc(NC(=O)N[C@H](C)[C@H]2CCCN(C(=O)[O-])C2)c1Cl ZINC000830516660 603609007 /nfs/dbraw/zinc/60/90/07/603609007.db2.gz IVVCLNXDUARGLZ-NEPJUHHUSA-N -1 0 339.823 3.548 20 0 EHADRM CCCCc1ccc(N(C)C(=O)c2csc(CNC(=O)[O-])n2)cc1 ZINC000826847185 603747331 /nfs/dbraw/zinc/74/73/31/603747331.db2.gz BZRMTUNTAGAWEN-UHFFFAOYSA-N -1 0 347.440 3.530 20 0 EHADRM Cc1cccc(NC(=O)C[C@@H](Cc2ccccc2)NC(=O)[O-])c1Cl ZINC000830516468 603770684 /nfs/dbraw/zinc/77/06/84/603770684.db2.gz FAXLINQVBHKQED-CQSZACIVSA-N -1 0 346.814 3.856 20 0 EHADRM Cc1c(F)cccc1NC(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000829872302 603778737 /nfs/dbraw/zinc/77/87/37/603778737.db2.gz RPBGCXHGBKUJSW-MRXNPFEDSA-N -1 0 330.359 3.862 20 0 EHADRM CC(C)(CNC(=O)[O-])C(=O)Nc1ccc(CNc2ccccc2)cc1 ZINC000823964618 603800925 /nfs/dbraw/zinc/80/09/25/603800925.db2.gz KFUQBOPEHHBSPZ-UHFFFAOYSA-N -1 0 341.411 3.531 20 0 EHADRM CC(C)(C)c1cnc(CN2CCCN(C(=O)[O-])c3ccccc32)o1 ZINC000823859011 603910001 /nfs/dbraw/zinc/91/00/01/603910001.db2.gz HOOOFLIMKMNFGE-UHFFFAOYSA-N -1 0 329.400 3.867 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Nc2ccccc2NC(=O)[O-])cc1 ZINC000829304214 603922576 /nfs/dbraw/zinc/92/25/76/603922576.db2.gz YGQZTKYVCOCJAH-LBPRGKRZSA-N -1 0 328.368 3.917 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)c1coc(-c2ccccc2)n1 ZINC000831797676 603949761 /nfs/dbraw/zinc/94/97/61/603949761.db2.gz PERKPIWQNSXDJV-UHFFFAOYSA-N -1 0 349.346 3.634 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)CSc1ccc(F)cc1 ZINC000831552311 603951159 /nfs/dbraw/zinc/95/11/59/603951159.db2.gz GVEQBEWWZGGCEC-UHFFFAOYSA-N -1 0 346.383 3.597 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)N2CCCCC[C@@H]2c2ccccc2)C1 ZINC000832246381 603951779 /nfs/dbraw/zinc/95/17/79/603951779.db2.gz JXSSBBQBXNOUGN-BRWVUGGUSA-N -1 0 330.428 3.567 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)c1cc2cc(F)ccc2[nH]1 ZINC000831793556 603953388 /nfs/dbraw/zinc/95/33/88/603953388.db2.gz NKIRLZFXSYQTGO-UHFFFAOYSA-N -1 0 339.326 3.600 20 0 EHADRM Cc1ccc(C(=O)OCc2cc(-c3ccco3)on2)cc1NC(=O)[O-] ZINC000830245068 603955710 /nfs/dbraw/zinc/95/57/10/603955710.db2.gz IMBPJFPJOSTNLP-UHFFFAOYSA-N -1 0 342.307 3.690 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)C1(c2ccccc2F)CC1 ZINC000832069209 603956647 /nfs/dbraw/zinc/95/66/47/603956647.db2.gz IWJWBJWMQLBPFS-UHFFFAOYSA-N -1 0 340.354 3.537 20 0 EHADRM Cc1c(C(=O)Nc2cccc3c2CCN3C(=O)[O-])cnc2ccccc12 ZINC000829855110 603957376 /nfs/dbraw/zinc/95/73/76/603957376.db2.gz QLRJLFOPWBSCBH-UHFFFAOYSA-N -1 0 347.374 3.836 20 0 EHADRM COc1ccc(NC(=O)Nc2cccc3c2CCN3C(=O)[O-])c(C)c1 ZINC000829469103 603970526 /nfs/dbraw/zinc/97/05/26/603970526.db2.gz BOATVSHDKZRGCH-UHFFFAOYSA-N -1 0 341.367 3.688 20 0 EHADRM C[C@H]1CCC[C@@H](N(C)C(=O)Nc2cccc3c2CCN3C(=O)[O-])C1 ZINC000825885774 603979135 /nfs/dbraw/zinc/97/91/35/603979135.db2.gz FPTNOLFWADLKJC-QWHCGFSZSA-N -1 0 331.416 3.770 20 0 EHADRM CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000824346779 603979614 /nfs/dbraw/zinc/97/96/14/603979614.db2.gz OCEQHVXFKVVUOA-UKRRQHHQSA-N -1 0 338.835 3.513 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)NCc1cccc(Cl)c1 ZINC000831719132 603982420 /nfs/dbraw/zinc/98/24/20/603982420.db2.gz HQEHEZJXRVJYDR-UHFFFAOYSA-N -1 0 345.786 3.702 20 0 EHADRM C[C@H](c1ncc(-c2ccccc2)o1)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000825645320 603983342 /nfs/dbraw/zinc/98/33/42/603983342.db2.gz NVYVCNNZFPDNEG-BMFZPTHFSA-N -1 0 341.411 3.619 20 0 EHADRM CCS[C@H]1CCC[C@@H]1NC(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000827504285 603987156 /nfs/dbraw/zinc/98/71/56/603987156.db2.gz SVXRMNHMHLVFLZ-ZFWWWQNUSA-N -1 0 349.456 3.523 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)NC/C=C/c1ccccc1 ZINC000831659502 603994696 /nfs/dbraw/zinc/99/46/96/603994696.db2.gz IOQJXYVDAFZJAF-VMPITWQZSA-N -1 0 337.379 3.562 20 0 EHADRM COc1cc(NC(=O)N2Cc3ccccc3[C@H]2C)ccc1NC(=O)[O-] ZINC000829158654 604010182 /nfs/dbraw/zinc/01/01/82/604010182.db2.gz HAUSICYCTDTNRJ-LLVKDONJSA-N -1 0 341.367 3.894 20 0 EHADRM CCS[C@H]1CCC[C@H]1NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000827504066 604032508 /nfs/dbraw/zinc/03/25/08/604032508.db2.gz QRTIGNTYWBQGMM-OLZOCXBDSA-N -1 0 342.848 3.834 20 0 EHADRM CCn1nc(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)cc1C1CC1 ZINC000827724206 604042703 /nfs/dbraw/zinc/04/27/03/604042703.db2.gz IAUJVLIZKMAZKQ-UHFFFAOYSA-N -1 0 348.790 3.776 20 0 EHADRM Cc1cccc(Cl)c1NC(=O)C[C@@H](Cc1ccccc1)NC(=O)[O-] ZINC000830506221 604053033 /nfs/dbraw/zinc/05/30/33/604053033.db2.gz WLVBOJQRAIXIDQ-CQSZACIVSA-N -1 0 346.814 3.856 20 0 EHADRM Cc1c(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])cnc2ccccc12 ZINC000829853870 604054321 /nfs/dbraw/zinc/05/43/21/604054321.db2.gz CSZAJYGZRVUHDV-UHFFFAOYSA-N -1 0 347.374 3.836 20 0 EHADRM Cc1cc(Cl)ccc1NC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000830050745 604062309 /nfs/dbraw/zinc/06/23/09/604062309.db2.gz XWWLWURUCRTVOQ-VXGBXAGGSA-N -1 0 339.823 3.548 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N(C)C2CCC(NC(=O)[O-])CC2)cc1 ZINC000824419300 604127385 /nfs/dbraw/zinc/12/73/85/604127385.db2.gz XQJHVHQMLQTDDX-UHFFFAOYSA-N -1 0 349.431 3.516 20 0 EHADRM O=C([O-])N1CCc2ccc(NC(=O)N3CCC[C@@H]4CCC[C@@H]43)cc2C1 ZINC000832079044 604138399 /nfs/dbraw/zinc/13/83/99/604138399.db2.gz BTNHZPXDTSUJQU-YOEHRIQHSA-N -1 0 343.427 3.519 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2ccc(F)c(F)c2F)cc1 ZINC000825442933 604155285 /nfs/dbraw/zinc/15/52/85/604155285.db2.gz TWFZKDGOGBKKNV-MRVPVSSYSA-N -1 0 338.285 3.685 20 0 EHADRM Cn1cc(CCC(=O)Nc2ccc(NC(=O)[O-])cc2)c2ccccc21 ZINC000830999739 604196979 /nfs/dbraw/zinc/19/69/79/604196979.db2.gz MUNMSQBUSVEJNP-UHFFFAOYSA-N -1 0 337.379 3.840 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N(CC(F)F)c2ccccc2)ccc1F ZINC000832818236 604202605 /nfs/dbraw/zinc/20/26/05/604202605.db2.gz YARBRTOKCUZXDV-UHFFFAOYSA-N -1 0 338.285 3.828 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)CCSc2ccccn2)cc1 ZINC000825415966 604211893 /nfs/dbraw/zinc/21/18/93/604211893.db2.gz ILIRNNXQJVQWEN-GFCCVEGCSA-N -1 0 345.424 3.531 20 0 EHADRM CCN(Cc1ccccc1NC(=O)c1ccc(C)cc1F)C(=O)[O-] ZINC000827187228 604243851 /nfs/dbraw/zinc/24/38/51/604243851.db2.gz UMOXENARYNKPBO-UHFFFAOYSA-N -1 0 330.359 3.886 20 0 EHADRM COc1ccc(NC(=O)C/C=C\c2cccc(F)c2)cc1NC(=O)[O-] ZINC000829453674 604245738 /nfs/dbraw/zinc/24/57/38/604245738.db2.gz IFWGAFBTGAKGEG-HYXAFXHYSA-N -1 0 344.342 3.966 20 0 EHADRM Cc1cccc([C@H](C)C(=O)NCCc2ccc(NC(=O)[O-])cc2)c1 ZINC000738692588 604248182 /nfs/dbraw/zinc/24/81/82/604248182.db2.gz KMEVXXCPZFSQKL-AWEZNQCLSA-N -1 0 326.396 3.547 20 0 EHADRM C[C@@H]1CSc2ccccc2N1C(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000826093302 604252398 /nfs/dbraw/zinc/25/23/98/604252398.db2.gz CBNKGKXDSSIKHX-GFCCVEGCSA-N -1 0 342.420 3.595 20 0 EHADRM CCc1cc(C)c(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)o1 ZINC000830218701 604274021 /nfs/dbraw/zinc/27/40/21/604274021.db2.gz JFEGYWNJIKTOJH-UHFFFAOYSA-N -1 0 342.395 3.701 20 0 EHADRM CCc1ccc([C@@H]2CCCN2C(=O)c2ccc(C(=O)[O-])c(F)c2)o1 ZINC000830236594 604278882 /nfs/dbraw/zinc/27/88/82/604278882.db2.gz BJWUTYCZTKMTPI-HNNXBMFYSA-N -1 0 331.343 3.657 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1)c1ccncc1 ZINC000824684992 604294632 /nfs/dbraw/zinc/29/46/32/604294632.db2.gz HWTXLVMAFUTTCD-STQMWFEESA-N -1 0 327.384 3.543 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)Nc1ccc(F)c(F)c1)c1ccccc1 ZINC000826103361 604307009 /nfs/dbraw/zinc/30/70/09/604307009.db2.gz PVOATTXGHXGEPV-OAHLLOKOSA-N -1 0 348.349 3.938 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2c(F)cccc2NC2CC2)ccc1F ZINC000832821127 604308449 /nfs/dbraw/zinc/30/84/49/604308449.db2.gz UOQPAYHVYKYZJB-UHFFFAOYSA-N -1 0 347.321 3.881 20 0 EHADRM COc1cc(NC(=O)c2cccc(Cl)c2F)ccc1NC(=O)[O-] ZINC000829196767 604312141 /nfs/dbraw/zinc/31/21/41/604312141.db2.gz BMOPJLPXIMGEJD-UHFFFAOYSA-N -1 0 338.722 3.830 20 0 EHADRM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000829056573 604323245 /nfs/dbraw/zinc/32/32/45/604323245.db2.gz YEYRPVVYSFRCAS-GJZGRUSLSA-N -1 0 349.431 3.834 20 0 EHADRM C[C@H](CC(=O)Nc1cccc2[nH]ccc21)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824703463 604327674 /nfs/dbraw/zinc/32/76/74/604327674.db2.gz LMZMJOPMOQGTAI-CHWSQXEVSA-N -1 0 329.400 3.523 20 0 EHADRM C[C@@H](CC(=O)Nc1cccc2[nH]ccc21)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824703466 604327710 /nfs/dbraw/zinc/32/77/10/604327710.db2.gz LMZMJOPMOQGTAI-STQMWFEESA-N -1 0 329.400 3.523 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(F)c(Cl)c1)c1ccc(Cl)cc1 ZINC000833126070 604330697 /nfs/dbraw/zinc/33/06/97/604330697.db2.gz QVWYECQEZWKBHJ-ZDUSSCGKSA-N -1 0 342.153 3.688 20 0 EHADRM Cc1ccc(NC(=O)c2ccccc2NC(=O)[O-])cc1-c1ncco1 ZINC000832948254 604338671 /nfs/dbraw/zinc/33/86/71/604338671.db2.gz YFWXMUCNZMMWGO-UHFFFAOYSA-N -1 0 337.335 3.992 20 0 EHADRM O=C([O-])C1(NCc2nc3cc(C(F)(F)F)ccc3o2)CCCCC1 ZINC000833175701 604348975 /nfs/dbraw/zinc/34/89/75/604348975.db2.gz KJIZSORRSKJAHR-UHFFFAOYSA-N -1 0 342.317 3.724 20 0 EHADRM CN(CCCC(=O)NC1(c2cccc(Cl)c2)CCCC1)C(=O)[O-] ZINC000830759197 604351693 /nfs/dbraw/zinc/35/16/93/604351693.db2.gz FGDPYPGQKZJTLC-UHFFFAOYSA-N -1 0 338.835 3.616 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NCc1cnc(Cl)s1 ZINC000827048490 604354933 /nfs/dbraw/zinc/35/49/33/604354933.db2.gz PLYRYXPIPMSXAP-UHFFFAOYSA-N -1 0 326.805 3.894 20 0 EHADRM C[C@H](CC(=O)N1CCCC[C@@H]1c1ccco1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824583326 604355994 /nfs/dbraw/zinc/35/59/94/604355994.db2.gz STDCYOGFBYUCOO-BZUAXINKSA-N -1 0 348.443 3.749 20 0 EHADRM Cc1nc2cc(NC(=O)N[C@@H]3CCCCCC[C@H]3C(=O)[O-])ccc2o1 ZINC000833004008 604368785 /nfs/dbraw/zinc/36/87/85/604368785.db2.gz FYLNZFHJAXCSGS-ZIAGYGMSSA-N -1 0 345.399 3.681 20 0 EHADRM Cc1cc(OCC(=O)Oc2ccc(CC(=O)[O-])cc2)cc(C)c1Cl ZINC000832900504 604375504 /nfs/dbraw/zinc/37/55/04/604375504.db2.gz CMNSRPZGQFSQMJ-UHFFFAOYSA-N -1 0 348.782 3.568 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000833267348 604375596 /nfs/dbraw/zinc/37/55/96/604375596.db2.gz YJQABURXOIJWQC-UHFFFAOYSA-N -1 0 342.244 3.691 20 0 EHADRM CCc1nc(C)c(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])s1 ZINC000830310221 604377253 /nfs/dbraw/zinc/37/72/53/604377253.db2.gz ZIYDFOPOPBOSQP-HNNXBMFYSA-N -1 0 346.452 3.596 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c(F)c1 ZINC000832910910 604377547 /nfs/dbraw/zinc/37/75/47/604377547.db2.gz BQMWWBXNHSEEBG-INIZCTEOSA-N -1 0 329.371 3.716 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1cccc(F)c1F)c1ccccc1 ZINC000826103240 604378070 /nfs/dbraw/zinc/37/80/70/604378070.db2.gz OTWOCKHWPUJVEI-OAHLLOKOSA-N -1 0 333.334 3.547 20 0 EHADRM C[C@H](CC(=O)N1C[C@H](C)[C@@H]1c1ccccc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824563315 604385002 /nfs/dbraw/zinc/38/50/02/604385002.db2.gz ALPYVJGHLOXKIA-LORHWOILSA-N -1 0 344.455 3.622 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1csc(C2CC2)n1)c1ccccc1 ZINC000826105667 604385424 /nfs/dbraw/zinc/38/54/24/604385424.db2.gz FWPQPDFFIHYDHX-CQSZACIVSA-N -1 0 344.436 3.602 20 0 EHADRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc(C(C)(C)C)s2)C1 ZINC000825244536 604421648 /nfs/dbraw/zinc/42/16/48/604421648.db2.gz JYYJKXUQNABBIM-NWDGAFQWSA-N -1 0 338.473 3.554 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)N[C@@H](C)c2cccs2)cc1 ZINC000825383927 604421652 /nfs/dbraw/zinc/42/16/52/604421652.db2.gz YACCBBPFSUPQDG-NEPJUHHUSA-N -1 0 347.440 3.637 20 0 EHADRM O=C([O-])c1cncc(NC(=O)C2c3ccccc3Oc3ccccc32)c1 ZINC000833341217 604425889 /nfs/dbraw/zinc/42/58/89/604425889.db2.gz LFBJSAXWIOJSCI-UHFFFAOYSA-N -1 0 346.342 3.656 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000825612693 604427069 /nfs/dbraw/zinc/42/70/69/604427069.db2.gz VCCTXDIUNKVPBN-LLVKDONJSA-N -1 0 338.379 3.982 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000826631746 604472676 /nfs/dbraw/zinc/47/26/76/604472676.db2.gz MUNOQWFLQCIVNV-MRXNPFEDSA-N -1 0 334.416 3.521 20 0 EHADRM CC(C)(C)SCCCC(=O)N(c1ncc(C(=O)[O-])s1)C1CC1 ZINC000833447055 604481347 /nfs/dbraw/zinc/48/13/47/604481347.db2.gz MNFDDTKRKQWYHQ-UHFFFAOYSA-N -1 0 342.486 3.649 20 0 EHADRM COc1ccc(C(C)(C)CNC(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000832216765 604485962 /nfs/dbraw/zinc/48/59/62/604485962.db2.gz NXWZPMDOAYCBIF-UHFFFAOYSA-N -1 0 348.424 3.554 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)c1cc(F)cc2cccnc21 ZINC000262953036 604489623 /nfs/dbraw/zinc/48/96/23/604489623.db2.gz MZDYPSRGTMPHDA-HOCLYGCPSA-N -1 0 344.386 3.527 20 0 EHADRM Cc1ccc(C[C@H]2CCCN2C(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000832928757 604493366 /nfs/dbraw/zinc/49/33/66/604493366.db2.gz ILJQMROUMNKCAQ-OAHLLOKOSA-N -1 0 344.436 3.994 20 0 EHADRM O=C([O-])c1csc(NC(=O)NCC2(Sc3ccccc3)CC2)c1 ZINC000833141293 604493378 /nfs/dbraw/zinc/49/33/78/604493378.db2.gz WJNWHFNSPSMMGJ-UHFFFAOYSA-N -1 0 348.449 3.893 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)OC1CCC(CC(=O)[O-])CC1 ZINC000833535770 604496072 /nfs/dbraw/zinc/49/60/72/604496072.db2.gz MCUHXXYIIDMJSS-HLIUYOAVSA-N -1 0 326.433 3.691 20 0 EHADRM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000828183140 604502507 /nfs/dbraw/zinc/50/25/07/604502507.db2.gz DNCWMWNZRPTPSI-JQWIXIFHSA-N -1 0 348.399 3.995 20 0 EHADRM O=C([O-])c1csc(NC(=O)N2CCc3[nH]c4ccccc4c3C2)c1 ZINC000833342184 604512995 /nfs/dbraw/zinc/51/29/95/604512995.db2.gz HOXHZDXWHJFRIP-UHFFFAOYSA-N -1 0 341.392 3.518 20 0 EHADRM CO[C@H](CNC(=O)c1ccc(NC(=O)[O-])cc1)c1ccccc1Cl ZINC000828849691 604514530 /nfs/dbraw/zinc/51/45/30/604514530.db2.gz VOHYYJFWJRJUHS-OAHLLOKOSA-N -1 0 348.786 3.547 20 0 EHADRM C[C@H]1c2ccc(F)cc2CCN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000828528200 604522898 /nfs/dbraw/zinc/52/28/98/604522898.db2.gz SCYDEJMNJXNGCO-VIFPVBQESA-N -1 0 334.372 3.737 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)N1CCC[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000826096543 604524604 /nfs/dbraw/zinc/52/46/04/604524604.db2.gz WYCRBWIOTJWNOA-HYVNUMGLSA-N -1 0 344.455 3.813 20 0 EHADRM CC[C@@H]1CCCCN1C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000829119063 604527582 /nfs/dbraw/zinc/52/75/82/604527582.db2.gz MHVMJJDAFZTHOS-CVEARBPZSA-N -1 0 332.444 3.813 20 0 EHADRM C[C@H](c1ccccc1Br)N(C)Cc1c[nH]c(C(=O)[O-])c1 ZINC000833550756 604532741 /nfs/dbraw/zinc/53/27/41/604532741.db2.gz XAYSSXKKHWXXMW-SNVBAGLBSA-N -1 0 337.217 3.668 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2ccc3ncsc3c2)oc1C(=O)[O-] ZINC000832877456 604540367 /nfs/dbraw/zinc/54/03/67/604540367.db2.gz ZAVRDGZEZLSKTQ-SECBINFHSA-N -1 0 331.349 3.814 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000236738523 604556608 /nfs/dbraw/zinc/55/66/08/604556608.db2.gz UKRBGFBEHTYZDY-UHFFFAOYSA-N -1 0 335.791 3.848 20 0 EHADRM COc1cccc(CCC(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)c1 ZINC000832545242 604558993 /nfs/dbraw/zinc/55/89/93/604558993.db2.gz BREHQXZRJFTJCL-LBPRGKRZSA-N -1 0 332.352 3.532 20 0 EHADRM C[C@H](C(=O)N1CCC[C@H]1CC(=O)[O-])c1c(Cl)cccc1Cl ZINC000653646627 604561233 /nfs/dbraw/zinc/56/12/33/604561233.db2.gz JZOPNAZDTYOPHU-UWVGGRQHSA-N -1 0 330.211 3.563 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2cc(-c3ccccc3)no2)oc1C(=O)[O-] ZINC000832875305 604567373 /nfs/dbraw/zinc/56/73/73/604567373.db2.gz NJUWSZSAFAKOMT-LLVKDONJSA-N -1 0 341.319 3.859 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)CSc1cc(Cl)ccc1Cl ZINC000042161121 604570895 /nfs/dbraw/zinc/57/08/95/604570895.db2.gz DULGWOQTEQYEHP-SNVBAGLBSA-N -1 0 348.251 3.551 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2ccc3ncccc3c2)oc1C(=O)[O-] ZINC000832877390 604575938 /nfs/dbraw/zinc/57/59/38/604575938.db2.gz XYTIONKRQACUJF-NSHDSACASA-N -1 0 325.320 3.752 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2ccc(Cl)nc2Cl)oc1C(=O)[O-] ZINC000832877631 604578388 /nfs/dbraw/zinc/57/83/88/604578388.db2.gz ZOZCKDJEQLNOSM-SSDOTTSWSA-N -1 0 344.150 3.906 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2cnc(-c3ccco3)s2)oc1C(=O)[O-] ZINC000832876890 604582005 /nfs/dbraw/zinc/58/20/05/604582005.db2.gz YRQFUNJHMYSIHE-SECBINFHSA-N -1 0 347.348 3.921 20 0 EHADRM CSc1ccsc1C(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000832790186 604583283 /nfs/dbraw/zinc/58/32/83/604583283.db2.gz ISNVHVGNKWXGEW-QMMMGPOBSA-N -1 0 326.395 3.988 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)C[C@@H](C)C(=O)c2ccccc2)oc1C(=O)[O-] ZINC000832875896 604586546 /nfs/dbraw/zinc/58/65/46/604586546.db2.gz PGQFWWUWFBHAAN-DGCLKSJQSA-N -1 0 344.363 3.800 20 0 EHADRM CS[C@H](C(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1)c1ccccc1 ZINC000832736356 604589217 /nfs/dbraw/zinc/58/92/17/604589217.db2.gz UJMDTNAPUYEHCX-ABAIWWIYSA-N -1 0 334.393 3.995 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Nc2ccc3c(c2)COC3)cc1 ZINC000327811850 604591345 /nfs/dbraw/zinc/59/13/45/604591345.db2.gz KPVJFLVKFUWXGW-UHFFFAOYSA-N -1 0 340.379 3.723 20 0 EHADRM O=C([O-])[C@@H](OC(=O)/C=C/SCc1ccco1)c1ccc(F)cc1 ZINC000833093238 604600713 /nfs/dbraw/zinc/60/07/13/604600713.db2.gz WVZCTKPOXUIXCS-HEWZJLJBSA-N -1 0 336.340 3.535 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)NCC2(Cc3ccccc3)CC2)c1 ZINC000833140579 604619172 /nfs/dbraw/zinc/61/91/72/604619172.db2.gz QIXSXOGEDCIUGV-UHFFFAOYSA-N -1 0 342.370 3.668 20 0 EHADRM O=C([O-])c1ccc2c(=O)[nH]c(C=Cc3cc(F)c(F)cc3F)nc2c1 ZINC000833325793 604629043 /nfs/dbraw/zinc/62/90/43/604629043.db2.gz XQZNLKRKWYPGJX-DUXPYHPUSA-N -1 0 346.264 3.621 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc(OCC(F)(F)F)c2)s1 ZINC000833158367 604636914 /nfs/dbraw/zinc/63/69/14/604636914.db2.gz UUYGBJGGYQYXKO-UHFFFAOYSA-N -1 0 345.298 3.640 20 0 EHADRM CC(=O)c1[nH]c(CC(=O)OCC(C)(C)C2CCCC2)c(C(=O)[O-])c1C ZINC000833400114 604651604 /nfs/dbraw/zinc/65/16/04/604651604.db2.gz BFNDHGVSLBLGMT-UHFFFAOYSA-N -1 0 349.427 3.526 20 0 EHADRM C[C@H](CC(=O)N1Cc2ccccc2[C@H](C)C1)C1CCN(C(=O)[O-])CC1 ZINC000825975447 604654022 /nfs/dbraw/zinc/65/40/22/604654022.db2.gz OVWNGTTVTWHOIT-HUUCEWRRSA-N -1 0 344.455 3.549 20 0 EHADRM CCC(CC)n1ccc(C(=O)N(c2ccccc2)[C@H](CC)C(=O)[O-])n1 ZINC000828594782 604657810 /nfs/dbraw/zinc/65/78/10/604657810.db2.gz JWCAWDNCNBHHQB-QGZVFWFLSA-N -1 0 343.427 3.754 20 0 EHADRM C[C@H](CC(=O)N(C)[C@H]1CCc2ccccc21)C1CCN(C(=O)[O-])CC1 ZINC000824553440 604677298 /nfs/dbraw/zinc/67/72/98/604677298.db2.gz ZFXCGFJQWZNVGH-KDOFPFPSSA-N -1 0 344.455 3.549 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@H]1CC(=O)[O-])c1cc2ccccc2s1 ZINC000827652049 604684019 /nfs/dbraw/zinc/68/40/19/604684019.db2.gz AKYBXKYPENJOSC-YPMHNXCESA-N -1 0 332.425 3.611 20 0 EHADRM CC(C)Oc1cncc(-c2nc(-c3cccc(NC(=O)[O-])c3)no2)c1 ZINC000824424878 604685616 /nfs/dbraw/zinc/68/56/16/604685616.db2.gz IBXFVZPKEHYVBC-UHFFFAOYSA-N -1 0 340.339 3.676 20 0 EHADRM CC[C@H](NC(=O)N1CCC[C@H]1CC(=O)[O-])c1ccc(Cl)s1 ZINC000828944065 604685750 /nfs/dbraw/zinc/68/57/50/604685750.db2.gz VCYAAZTXOBNYNP-UWVGGRQHSA-N -1 0 330.837 3.501 20 0 EHADRM O=C([O-])Nc1cc(-c2nc(COc3ccc(F)cc3)no2)ccc1F ZINC000832818021 604689398 /nfs/dbraw/zinc/68/93/98/604689398.db2.gz QKJADIJATVQUAE-UHFFFAOYSA-N -1 0 347.277 3.684 20 0 EHADRM Cc1ccc(Br)cc1NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000537473210 604713001 /nfs/dbraw/zinc/71/30/01/604713001.db2.gz JQHOZOMJOQNZBO-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)O[C@H](c2ncccn2)C2CCCC2)cc1 ZINC000832838992 604737633 /nfs/dbraw/zinc/73/76/33/604737633.db2.gz OQCSGWFSVMXASF-HNNXBMFYSA-N -1 0 341.367 3.655 20 0 EHADRM CC(C)(CNC(=O)Cc1cccc(C(=O)[O-])c1)c1ccccc1Cl ZINC000539676711 604738771 /nfs/dbraw/zinc/73/87/71/604738771.db2.gz IALRDBWAJKCVEF-UHFFFAOYSA-N -1 0 345.826 3.675 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)CCc2ccccc2C(=O)[O-])c(C)c1 ZINC000262095718 604741898 /nfs/dbraw/zinc/74/18/98/604741898.db2.gz DBNWQJLYIRNEQB-INIZCTEOSA-N -1 0 339.435 3.682 20 0 EHADRM CC(C)N(C)c1cccc(NC(=O)CCc2ccccc2C(=O)[O-])c1 ZINC000833496138 604742736 /nfs/dbraw/zinc/74/27/36/604742736.db2.gz TZRNAQVRRVOKIJ-UHFFFAOYSA-N -1 0 340.423 3.801 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000263017929 604749809 /nfs/dbraw/zinc/74/98/09/604749809.db2.gz SWIJUQASKNSSCW-VIFPVBQESA-N -1 0 341.194 3.554 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000262777762 604749901 /nfs/dbraw/zinc/74/99/01/604749901.db2.gz LYQAHVJCLZAVLZ-MAUKXSAKSA-N -1 0 337.419 3.722 20 0 EHADRM C[C@@H]1CCC[C@@H](C)N1C(=O)CSCc1ccc(C(=O)[O-])cc1F ZINC000833608553 604755525 /nfs/dbraw/zinc/75/55/25/604755525.db2.gz BPTJLBJIPRJKSQ-VXGBXAGGSA-N -1 0 339.432 3.547 20 0 EHADRM Cc1ccccc1-c1nc(CN2CC[C@@H](C(=O)[O-])c3ccccc32)no1 ZINC000565648641 604771273 /nfs/dbraw/zinc/77/12/73/604771273.db2.gz SAOXEEPNYINOLV-MRXNPFEDSA-N -1 0 349.390 3.624 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1Oc1ncnc2c(C)cccc12 ZINC000831976816 604772614 /nfs/dbraw/zinc/77/26/14/604772614.db2.gz PTVRSTMIAMOOEF-VQHVLOKHSA-N -1 0 336.347 3.837 20 0 EHADRM Cc1nc(Cn2cc(C(=O)[O-])nc2C)oc1-c1ccc(Cl)cc1 ZINC000833000632 604773583 /nfs/dbraw/zinc/77/35/83/604773583.db2.gz MVYSREPTIIJFNX-UHFFFAOYSA-N -1 0 331.759 3.555 20 0 EHADRM O=C([O-])c1occc1CNc1ccc(F)cc1OCC(F)(F)F ZINC000833785395 604778805 /nfs/dbraw/zinc/77/88/05/604778805.db2.gz TWCYLLUCZTVCDG-UHFFFAOYSA-N -1 0 333.237 3.670 20 0 EHADRM C/C(=C\c1cccc(Cl)c1)C(=O)N(C)c1ncc(C(=O)[O-])s1 ZINC000833386770 604784544 /nfs/dbraw/zinc/78/45/44/604784544.db2.gz RYYVBQCSLCMDJH-RMKNXTFCSA-N -1 0 336.800 3.561 20 0 EHADRM C[C@H]1CN(C(=O)Cc2ccccc2C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000262250931 604787230 /nfs/dbraw/zinc/78/72/30/604787230.db2.gz VMDKDQGNRBFVEM-MAUKXSAKSA-N -1 0 337.419 3.580 20 0 EHADRM C[C@@H]1CN(C(=O)Cc2ccccc2C(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000262250934 604787415 /nfs/dbraw/zinc/78/74/15/604787415.db2.gz VMDKDQGNRBFVEM-QAPCUYQASA-N -1 0 337.419 3.580 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)NC1(Cc2ccccc2)CCC1 ZINC000833764090 604787966 /nfs/dbraw/zinc/78/79/66/604787966.db2.gz WFTWPKWSIHNPGG-UHFFFAOYSA-N -1 0 337.419 3.599 20 0 EHADRM Cc1csc([C@H](Nc2nc(Cl)c(C(=O)[O-])s2)C2CC2)n1 ZINC000832989263 604801947 /nfs/dbraw/zinc/80/19/47/604801947.db2.gz VNINQYMZZUEGSI-SSDOTTSWSA-N -1 0 329.834 3.823 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1cnc(C(C)C)s1 ZINC000831975257 604813626 /nfs/dbraw/zinc/81/36/26/604813626.db2.gz CUVGSVFFSSLJBC-ALCCZGGFSA-N -1 0 347.392 3.592 20 0 EHADRM CCC(CC)n1ccc(CNc2cc(C(=O)[O-])cc(OC)c2OC)n1 ZINC000828870298 604815009 /nfs/dbraw/zinc/81/50/09/604815009.db2.gz MXQITWVAJALYRT-UHFFFAOYSA-N -1 0 347.415 3.572 20 0 EHADRM Cc1ccccc1Sc1ccc(C(=O)NC(C)(C)C(=O)[O-])cc1 ZINC000832981961 604821618 /nfs/dbraw/zinc/82/16/18/604821618.db2.gz RFFAHLPAEVPDBE-UHFFFAOYSA-N -1 0 329.421 3.739 20 0 EHADRM CN(Cc1cccc(Cl)c1Cl)[C@H](C(=O)[O-])c1cccnc1 ZINC000830844823 604826554 /nfs/dbraw/zinc/82/65/54/604826554.db2.gz IGETXVRFXDMFEV-AWEZNQCLSA-N -1 0 325.195 3.646 20 0 EHADRM Cc1c(NC(=O)N2CCc3c4ccccc4[nH]c3C2)cccc1C(=O)[O-] ZINC000833741731 604843413 /nfs/dbraw/zinc/84/34/13/604843413.db2.gz GJFZQESRGNFJFJ-UHFFFAOYSA-N -1 0 349.390 3.765 20 0 EHADRM Cc1ccc2cc(C(=O)O[C@@H](C(=O)[O-])c3ccccc3F)ccc2n1 ZINC000832961995 604844442 /nfs/dbraw/zinc/84/44/42/604844442.db2.gz MUKZVDWMLSOCMG-QGZVFWFLSA-N -1 0 339.322 3.665 20 0 EHADRM C[C@@H](c1nnc(-c2ccccc2)o1)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833549182 604844481 /nfs/dbraw/zinc/84/44/81/604844481.db2.gz BOBPRROODPNRKN-ZDUSSCGKSA-N -1 0 349.390 3.554 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@@H]1CCCc2sccc21 ZINC000372961374 604856049 /nfs/dbraw/zinc/85/60/49/604856049.db2.gz ICFNRIZVAFBYRG-CQSZACIVSA-N -1 0 345.420 3.579 20 0 EHADRM CC(C)CCC(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000236687731 604859878 /nfs/dbraw/zinc/85/98/78/604859878.db2.gz QHBWBFAWMPEICV-ZDUSSCGKSA-N -1 0 342.233 3.517 20 0 EHADRM CCN(C(=O)[C@H]1CCCc2sccc21)c1ccccc1C(=O)[O-] ZINC000829591248 604864485 /nfs/dbraw/zinc/86/44/85/604864485.db2.gz QAYBIQIBELCPKM-ZDUSSCGKSA-N -1 0 329.421 3.919 20 0 EHADRM O=C([O-])NCCCC(=O)OCc1ccc(Oc2ccccc2)c(F)c1 ZINC000833280079 604865308 /nfs/dbraw/zinc/86/53/08/604865308.db2.gz HRPIRSYALCVRST-UHFFFAOYSA-N -1 0 347.342 3.709 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000013224095 604865874 /nfs/dbraw/zinc/86/58/74/604865874.db2.gz GUDXDTNWNPRFHF-AWEZNQCLSA-N -1 0 338.190 3.939 20 0 EHADRM CN(C(=O)c1ccc(-c2ccccc2F)o1)C1(C(=O)[O-])CCCCC1 ZINC000431979985 604866064 /nfs/dbraw/zinc/86/60/64/604866064.db2.gz FTNKFOLNLMELHG-UHFFFAOYSA-N -1 0 345.370 3.945 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(c2nnc(-c3ccccc3)s2)C1 ZINC000649405475 604874408 /nfs/dbraw/zinc/87/44/08/604874408.db2.gz ZPAAPKNZUNWZSB-ZDUSSCGKSA-N -1 0 331.441 3.532 20 0 EHADRM C/C(=C\C(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F)C1CC1 ZINC000833381405 604881475 /nfs/dbraw/zinc/88/14/75/604881475.db2.gz AYAPSKXIBPPUMS-VFNNOXKTSA-N -1 0 328.286 3.888 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cc(F)c(F)cc2Cl)C1 ZINC000322210012 604885230 /nfs/dbraw/zinc/88/52/30/604885230.db2.gz VLOFAIPKYNAMJG-SECBINFHSA-N -1 0 345.773 3.581 20 0 EHADRM Cc1sc2ncnc(SC[C@H]3CC(C(=O)[O-])=C(C)O3)c2c1C ZINC000833581098 604886399 /nfs/dbraw/zinc/88/63/99/604886399.db2.gz LDGNYZDBADJCPG-SNVBAGLBSA-N -1 0 336.438 3.548 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)/C=C\c2ccc(Cl)s2)C1 ZINC000317087154 604886665 /nfs/dbraw/zinc/88/66/65/604886665.db2.gz AHMMLWKELGKODE-JYKYSHPRSA-N -1 0 341.860 3.764 20 0 EHADRM CC(C)[C@@H](C(=O)Nc1cncc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC000826677046 604897204 /nfs/dbraw/zinc/89/72/04/604897204.db2.gz OKCBCDGRHLASQW-OAHLLOKOSA-N -1 0 332.787 3.812 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N2CCc3ccc(F)cc3C2)c1 ZINC000833297034 604899260 /nfs/dbraw/zinc/89/92/60/604899260.db2.gz CJKZXOQTUQGHTF-UHFFFAOYSA-N -1 0 348.761 3.768 20 0 EHADRM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)Nc1cc(C)ccc1Cl ZINC000829610930 604903208 /nfs/dbraw/zinc/90/32/08/604903208.db2.gz HTGVQMMALPBQOY-OAHLLOKOSA-N -1 0 348.786 3.604 20 0 EHADRM Cc1cc(C)cc(CCC(=O)Nc2ccc(CNC(=O)[O-])cc2)c1 ZINC000832876490 604904927 /nfs/dbraw/zinc/90/49/27/604904927.db2.gz KZDZGYFCPIXDCZ-UHFFFAOYSA-N -1 0 326.396 3.642 20 0 EHADRM CCC(=O)c1cccc(NC(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])c1 ZINC000828580741 604906761 /nfs/dbraw/zinc/90/67/61/604906761.db2.gz SBWKGNPFPMVCEF-HZPDHXFCSA-N -1 0 346.427 3.824 20 0 EHADRM CC[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000829119859 604908320 /nfs/dbraw/zinc/90/83/20/604908320.db2.gz WDUCYALFIZMVEF-ZWNOBZJWSA-N -1 0 340.807 3.504 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H](c2ccco2)c2ccccc2)cc1F ZINC000833127855 604919103 /nfs/dbraw/zinc/91/91/03/604919103.db2.gz DZAATPLTSXAVNW-QGZVFWFLSA-N -1 0 339.322 3.636 20 0 EHADRM C[C@H](CC(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21)C1CCN(C(=O)[O-])CC1 ZINC000824565904 604921694 /nfs/dbraw/zinc/92/16/94/604921694.db2.gz UGAQDNCWRVQVAE-JHNDHUHGSA-N -1 0 336.476 3.582 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1ccc(F)cc1Cl ZINC000237946831 604934488 /nfs/dbraw/zinc/93/44/88/604934488.db2.gz XGTVTAODCIJBPN-UHFFFAOYSA-N -1 0 349.789 3.986 20 0 EHADRM CCC[C@H](C)[C@@H]1CCCN1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000829209305 604953210 /nfs/dbraw/zinc/95/32/10/604953210.db2.gz UIBXEBFQRYATII-YOEHRIQHSA-N -1 0 348.443 3.973 20 0 EHADRM C[C@]1(NC(=O)c2cccc(C(F)(F)F)c2F)CCCC[C@@H]1C(=O)[O-] ZINC000833573898 604966113 /nfs/dbraw/zinc/96/61/13/604966113.db2.gz WUWHRVSYBPRLTR-ABAIWWIYSA-N -1 0 347.308 3.608 20 0 EHADRM C[C@]1(NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)CCCC[C@@H]1C(=O)[O-] ZINC000262733814 604968130 /nfs/dbraw/zinc/96/81/30/604968130.db2.gz HQIOCERHNOZJPF-ADAWSYLGSA-N -1 0 335.831 3.593 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)NCCCC2CCCCC2)C1 ZINC000833417461 604976456 /nfs/dbraw/zinc/97/64/56/604976456.db2.gz SCMYHDCJWTZRSE-INIZCTEOSA-N -1 0 338.492 3.879 20 0 EHADRM Cc1ccc(NC(=O)C(C)(C)C)cc1N[C@H](C(=O)[O-])c1cccnc1 ZINC000832943434 605000930 /nfs/dbraw/zinc/00/09/30/605000930.db2.gz YRNGOVIRVCAQAB-INIZCTEOSA-N -1 0 341.411 3.612 20 0 EHADRM CC(C)(C)OCc1ccccc1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000833445733 605005154 /nfs/dbraw/zinc/00/51/54/605005154.db2.gz PJYNHGXCHWUJQJ-UHFFFAOYSA-N -1 0 327.380 3.952 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)c1cncc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000833422976 605029235 /nfs/dbraw/zinc/02/92/35/605029235.db2.gz DUTPDJHTTGFGIX-INIZCTEOSA-N -1 0 344.386 3.826 20 0 EHADRM C[C@@H](C(=O)OCc1ccc(C(=O)[O-])cc1F)c1c(F)cccc1F ZINC000833409447 605036299 /nfs/dbraw/zinc/03/62/99/605036299.db2.gz MBSIHDOHKNXFNY-SECBINFHSA-N -1 0 338.281 3.649 20 0 EHADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)C/C=C\c1ccc(C(C)C)cc1 ZINC000833503662 605047531 /nfs/dbraw/zinc/04/75/31/605047531.db2.gz HRCJJHFRBJVQFJ-MJRGOJFPSA-N -1 0 347.455 3.550 20 0 EHADRM C[C@H](C(=O)OC1CCC(CC(=O)[O-])CC1)c1c(F)cccc1F ZINC000833405388 605055632 /nfs/dbraw/zinc/05/56/32/605055632.db2.gz DYJSIBKOGUFUCL-UNXYVOJBSA-N -1 0 326.339 3.645 20 0 EHADRM CC1(C)C[C@H]1C(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000833556972 605058328 /nfs/dbraw/zinc/05/83/28/605058328.db2.gz BOTDHCQCMUVYCM-ZDUSSCGKSA-N -1 0 331.393 3.598 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(C2SCCS2)c1 ZINC000029010876 605066370 /nfs/dbraw/zinc/06/63/70/605066370.db2.gz XIBIBUMYCIPHTL-UHFFFAOYSA-N -1 0 339.482 3.995 20 0 EHADRM CC(C)Cn1cc(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])cn1 ZINC000833493858 605073179 /nfs/dbraw/zinc/07/31/79/605073179.db2.gz LAPDMHCYLREJGQ-UHFFFAOYSA-N -1 0 337.379 3.643 20 0 EHADRM CC(C)[C@H]1C[C@@H](CC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)CCO1 ZINC000833470786 605073664 /nfs/dbraw/zinc/07/36/64/605073664.db2.gz LPZNHLFEQMTRCF-XHDPSFHLSA-N -1 0 338.379 3.695 20 0 EHADRM CC(C)[C@@H]1C[C@H](CC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CCO1 ZINC000833471273 605075085 /nfs/dbraw/zinc/07/50/85/605075085.db2.gz NIEBNOSDHHNIBH-ABAIWWIYSA-N -1 0 339.819 3.818 20 0 EHADRM Cc1ccc(-c2nc(COC(=O)C3CCC(C(=O)[O-])CC3)cs2)o1 ZINC000833746541 605077297 /nfs/dbraw/zinc/07/72/97/605077297.db2.gz JQKWBJUIAZKVAS-UHFFFAOYSA-N -1 0 349.408 3.646 20 0 EHADRM Cc1nc(C2CCCCC2)sc1C(=O)N(CCC(=O)[O-])C(C)C ZINC000833755362 605087451 /nfs/dbraw/zinc/08/74/51/605087451.db2.gz KLLJZQJERZURBE-UHFFFAOYSA-N -1 0 338.473 3.825 20 0 EHADRM CCC(CC)(CNC(=O)N1CCC[C@H]1c1ccccc1C)C(=O)[O-] ZINC000424418685 605096738 /nfs/dbraw/zinc/09/67/38/605096738.db2.gz ZBFDYDLJICIJOC-INIZCTEOSA-N -1 0 332.444 3.733 20 0 EHADRM Cc1ccc(Br)cc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000048641911 605100797 /nfs/dbraw/zinc/10/07/97/605100797.db2.gz KHSWWJJHZJYVAM-UHFFFAOYSA-N -1 0 328.206 3.587 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N(Cc1cccnc1)c1ccc(F)cc1 ZINC000833451274 605105224 /nfs/dbraw/zinc/10/52/24/605105224.db2.gz NBOCEXLXXFKSJU-UHFFFAOYSA-N -1 0 344.386 3.645 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1cnccc1Oc1ccccc1 ZINC000833455965 605106033 /nfs/dbraw/zinc/10/60/33/605106033.db2.gz ABJPHBRBSVBTNK-UHFFFAOYSA-N -1 0 328.368 3.703 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N(CC(F)F)c1cccc(Cl)c1 ZINC000833451299 605110056 /nfs/dbraw/zinc/11/00/56/605110056.db2.gz OILGCVWVGFJYRG-UHFFFAOYSA-N -1 0 333.762 3.829 20 0 EHADRM C[C@@H](OC(=O)C1CCC(C(=O)[O-])CC1)c1c(F)cccc1Cl ZINC000833528721 605119779 /nfs/dbraw/zinc/11/97/79/605119779.db2.gz PQMBPGJKEWLDCY-KPPDAEKUSA-N -1 0 328.767 3.974 20 0 EHADRM CC[C@@](NC(=O)c1ccc(Cl)c(F)c1)(C(=O)[O-])c1ccccc1 ZINC000431435788 605126271 /nfs/dbraw/zinc/12/62/71/605126271.db2.gz RLWFGCMHNIYQDN-KRWDZBQOSA-N -1 0 335.762 3.599 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)NCc2cccc(C(=O)[O-])c2)c2ccccc21 ZINC000833605146 605127468 /nfs/dbraw/zinc/12/74/68/605127468.db2.gz XWABTHXGPSSKOG-ACJLOTCBSA-N -1 0 338.407 3.823 20 0 EHADRM CCC(CC)n1nc(C(=O)Nc2cc(C)c(C(=O)[O-])s2)cc1C ZINC000833641547 605131249 /nfs/dbraw/zinc/13/12/49/605131249.db2.gz FMJKQNNYPGZQPX-UHFFFAOYSA-N -1 0 335.429 3.873 20 0 EHADRM CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2cccc(F)c2C(=O)[O-])C1 ZINC000833668857 605136733 /nfs/dbraw/zinc/13/67/33/605136733.db2.gz TWNCFPIYEHEKJG-WDEREUQCSA-N -1 0 340.420 3.662 20 0 EHADRM CC(C)CCc1noc(CSCc2ccccc2CC(=O)[O-])n1 ZINC000833484029 605140275 /nfs/dbraw/zinc/14/02/75/605140275.db2.gz JTBBBGWRRVRXTG-UHFFFAOYSA-N -1 0 334.441 3.719 20 0 EHADRM CC1(C)CC[C@H]2C[C@H](NC(=O)NCCCCC(=O)[O-])c3cccc1c32 ZINC000666540145 605146827 /nfs/dbraw/zinc/14/68/27/605146827.db2.gz HXWHAZYGPULQRX-BBRMVZONSA-N -1 0 344.455 3.841 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)Nc2cc(C(=O)[O-])c(F)cc2Br)C1 ZINC000833602499 605150282 /nfs/dbraw/zinc/15/02/82/605150282.db2.gz QSPRSSKEXCROIX-SFYZADRCSA-N -1 0 344.180 3.661 20 0 EHADRM CCC(CC)n1nc(C(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)cc1C ZINC000833641819 605165566 /nfs/dbraw/zinc/16/55/66/605165566.db2.gz PKBKZSLMBKOCQI-LLVKDONJSA-N -1 0 334.372 3.762 20 0 EHADRM CCC(CC)n1nc(C(=O)OCc2cccc(C(=O)[O-])c2)cc1C ZINC000833641583 605165637 /nfs/dbraw/zinc/16/56/37/605165637.db2.gz HCVANOHQGVOIAV-UHFFFAOYSA-N -1 0 330.384 3.608 20 0 EHADRM CC(C)(C)SCC(=O)OCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833447362 605177492 /nfs/dbraw/zinc/17/74/92/605177492.db2.gz QCQAARJSTCUOLE-UHFFFAOYSA-N -1 0 349.408 3.615 20 0 EHADRM CC(C)(C)SCCCC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000833447405 605184793 /nfs/dbraw/zinc/18/47/93/605184793.db2.gz QVBOOJFPHSCNTN-IHRRRGAJSA-N -1 0 327.490 3.543 20 0 EHADRM C[C@@H](C(=O)OCc1coc(-c2ccc(C(=O)[O-])cc2)n1)C(C)(C)C ZINC000833409408 605186433 /nfs/dbraw/zinc/18/64/33/605186433.db2.gz LBSNGDJITIXELG-NSHDSACASA-N -1 0 331.368 3.765 20 0 EHADRM CCC(CC)n1nc(C(=O)OC2CCC(CC(=O)[O-])CC2)cc1C ZINC000833641784 605188806 /nfs/dbraw/zinc/18/88/06/605188806.db2.gz OPKZZPXIERNCQY-UHFFFAOYSA-N -1 0 336.432 3.743 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2nc3ccccc3s2)cc1 ZINC000833419222 605214338 /nfs/dbraw/zinc/21/43/38/605214338.db2.gz OXGLBXXVNJZXJY-UHFFFAOYSA-N -1 0 340.404 3.911 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2ccc3[nH]c(C4CCC4)nc3c2)CC1 ZINC000194406783 605222970 /nfs/dbraw/zinc/22/29/70/605222970.db2.gz VVOJJZKZFKVKKV-UHFFFAOYSA-N -1 0 341.411 3.660 20 0 EHADRM CC(C)(C)c1ccc(CCNC(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000194389058 605223039 /nfs/dbraw/zinc/22/30/39/605223039.db2.gz CQNVQACPKRJZLG-UHFFFAOYSA-N -1 0 331.456 3.534 20 0 EHADRM CC(C)(C)c1ncc(CN(CCc2ccccc2)CC(=O)[O-])s1 ZINC000833450662 605235359 /nfs/dbraw/zinc/23/53/59/605235359.db2.gz HIXMHOLAHWMGQM-UHFFFAOYSA-N -1 0 332.469 3.570 20 0 EHADRM CCOc1ccc(NC(=O)Cc2ccccc2C(=O)[O-])cc1Cl ZINC000322142672 605236241 /nfs/dbraw/zinc/23/62/41/605236241.db2.gz QUKLMEYYRSMTRU-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)/C=C\c1nc2ccccc2s1)C(=O)[O-] ZINC000833426674 605237498 /nfs/dbraw/zinc/23/74/98/605237498.db2.gz IDFMERBTBYXIBG-LAUAKBEESA-N -1 0 333.409 3.742 20 0 EHADRM CCCC(=O)Nc1cccc(NCCC2CCN(C(=O)[O-])CC2)c1C ZINC000826705670 605240348 /nfs/dbraw/zinc/24/03/48/605240348.db2.gz GCGGMCGKPWTOSC-UHFFFAOYSA-N -1 0 347.459 3.926 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)Nc2ccc(C(=O)[O-])nc2)cc1 ZINC000833493312 605251750 /nfs/dbraw/zinc/25/17/50/605251750.db2.gz KTBCYMRPDSTWHW-UHFFFAOYSA-N -1 0 326.396 3.550 20 0 EHADRM Cc1nc(C2CCCCC2)sc1C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC000833755535 605252453 /nfs/dbraw/zinc/25/24/53/605252453.db2.gz QPBTULDCWSQRPI-UHFFFAOYSA-N -1 0 345.424 3.845 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cc2csc3ccc(Cl)cc23)cn1 ZINC000833765320 605252496 /nfs/dbraw/zinc/25/24/96/605252496.db2.gz HYPMBSXMPPGBIT-UHFFFAOYSA-N -1 0 346.795 3.829 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000575737147 605256101 /nfs/dbraw/zinc/25/61/01/605256101.db2.gz JUNVKCPPRXNRAU-INIZCTEOSA-N -1 0 331.456 3.749 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000263012400 605259984 /nfs/dbraw/zinc/25/99/84/605259984.db2.gz WTXNGFSVAQCJHB-HNNXBMFYSA-N -1 0 325.408 3.911 20 0 EHADRM C[C@@H]1CCCC[C@H]1NC(=S)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833613862 605260151 /nfs/dbraw/zinc/26/01/51/605260151.db2.gz VYPNDDVIUGAGHH-BXKDBHETSA-N -1 0 325.409 3.781 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000683325163 605267426 /nfs/dbraw/zinc/26/74/26/605267426.db2.gz NPWVHMMARYZATF-SJLPKXTDSA-N -1 0 345.483 3.995 20 0 EHADRM O=C([O-])N(CC(=O)N1CCC[C@@H]1c1cccc(F)c1)c1ccccc1 ZINC000831821570 605271456 /nfs/dbraw/zinc/27/14/56/605271456.db2.gz VZJNBBSWPKZXQY-QGZVFWFLSA-N -1 0 342.370 3.674 20 0 EHADRM CC(C)CSCCCNC(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833491603 605283992 /nfs/dbraw/zinc/28/39/92/605283992.db2.gz RWDOVQVGPQLSAD-UHFFFAOYSA-N -1 0 343.424 3.816 20 0 EHADRM C[C@@H](c1c(F)cccc1F)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000833546557 605293804 /nfs/dbraw/zinc/29/38/04/605293804.db2.gz JBRZTBHBHDPQNK-LBPRGKRZSA-N -1 0 335.350 3.621 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)c1cccc(NC(=O)[O-])c1)C(F)(F)F ZINC000833425006 605294525 /nfs/dbraw/zinc/29/45/25/605294525.db2.gz UBNPRJMGPPBNEI-NSHDSACASA-N -1 0 332.322 3.873 20 0 EHADRM Cc1cc(Cl)ccc1OCC(=O)OCc1ccc(NC(=O)[O-])cc1 ZINC000833744824 605304332 /nfs/dbraw/zinc/30/43/32/605304332.db2.gz QTQOVKRMWSXSMP-UHFFFAOYSA-N -1 0 349.770 3.861 20 0 EHADRM O=C([O-])Nc1ccc(CNc2nnc(C3CCCCC3)s2)cn1 ZINC000834259773 605332781 /nfs/dbraw/zinc/33/27/81/605332781.db2.gz FEGQFODMHFSPOK-UHFFFAOYSA-N -1 0 333.417 3.683 20 0 EHADRM CC(C)(C)n1cnnc1S[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833452172 605334963 /nfs/dbraw/zinc/33/49/63/605334963.db2.gz OTAURMMRGQGPDQ-LLVKDONJSA-N -1 0 343.811 3.744 20 0 EHADRM CC[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)s2)CC[C@@H]1NC(=O)[O-] ZINC000833851561 605345813 /nfs/dbraw/zinc/34/58/13/605345813.db2.gz PVEPJCDCHLGLKN-NEPJUHHUSA-N -1 0 338.473 3.554 20 0 EHADRM CCc1cc(C)c(C(=O)N2CCCN(C(=O)[O-])c3ccccc32)o1 ZINC000827556059 605358085 /nfs/dbraw/zinc/35/80/85/605358085.db2.gz DDOVSULYTRPPDA-UHFFFAOYSA-N -1 0 328.368 3.685 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)[C@@H]3CCCc4sccc43)ccc21 ZINC000831772374 605371226 /nfs/dbraw/zinc/37/12/26/605371226.db2.gz BXNYWEATCAIPAB-CQSZACIVSA-N -1 0 342.420 3.847 20 0 EHADRM O=C([O-])Nc1cccc(COC(=O)C=Cc2ccnc(Cl)c2)c1 ZINC000834269838 605375975 /nfs/dbraw/zinc/37/59/75/605375975.db2.gz SWXJPLSZPABGFQ-SNAWJCMRSA-N -1 0 332.743 3.582 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)[C@@H]1CCCc2sccc21 ZINC000831793934 605377790 /nfs/dbraw/zinc/37/77/90/605377790.db2.gz RZZXHRQHDOHGCD-GFCCVEGCSA-N -1 0 342.420 3.847 20 0 EHADRM CCC(CC)[C@H]1C[C@H](NC(=O)Nc2ccc(NC(=O)[O-])cc2)CCO1 ZINC000833642296 605395808 /nfs/dbraw/zinc/39/58/08/605395808.db2.gz KDIMBXKVDTVVTO-HZPDHXFCSA-N -1 0 349.431 3.882 20 0 EHADRM CCc1cc(NC(=O)Nc2ccc(CNC(=O)[O-])cc2)ccc1C ZINC000833671852 605401121 /nfs/dbraw/zinc/40/11/21/605401121.db2.gz RPKNESUITYNHKI-UHFFFAOYSA-N -1 0 327.384 3.969 20 0 EHADRM CCC[C@H](C)[C@@H]1CCCN1C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000826729019 605424997 /nfs/dbraw/zinc/42/49/97/605424997.db2.gz QFHFUQAMWKGOFI-MKXAEBJUSA-N -1 0 336.476 3.725 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)c2cc(F)cc3cccnc32)c1 ZINC000834262488 605426757 /nfs/dbraw/zinc/42/67/57/605426757.db2.gz UNXIZDFABGIGQQ-UHFFFAOYSA-N -1 0 343.289 3.855 20 0 EHADRM CCc1[nH]c(C(=O)N2CC[C@@H](c3cccc(C)c3)C2)c(C)c1C(=O)[O-] ZINC000833668577 605432447 /nfs/dbraw/zinc/43/24/47/605432447.db2.gz SKZHZPGZVJOUPE-OAHLLOKOSA-N -1 0 340.423 3.522 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)Nc1cc(Cl)ccc1Cl ZINC000825829606 605468620 /nfs/dbraw/zinc/46/86/20/605468620.db2.gz CDYVXRYRNBFDJH-SCZZXKLOSA-N -1 0 346.214 3.646 20 0 EHADRM O=C([O-])N1CC[C@H](CCC(=O)N2CCCCC[C@H]2c2ccco2)C1 ZINC000834073313 605476038 /nfs/dbraw/zinc/47/60/38/605476038.db2.gz CFLGUGRDMJCHFD-GJZGRUSLSA-N -1 0 334.416 3.503 20 0 EHADRM O=C([O-])N1CC[C@@H](CCC(=O)N(Cc2ccoc2)C2CCCCC2)C1 ZINC000834071252 605479608 /nfs/dbraw/zinc/47/96/08/605479608.db2.gz ILMYBIQGDKKLFM-OAHLLOKOSA-N -1 0 348.443 3.721 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)CC[C@H]1CCN(C(=O)[O-])C1 ZINC000833905236 605490838 /nfs/dbraw/zinc/49/08/38/605490838.db2.gz QCYLQPZCDUABRB-NSHDSACASA-N -1 0 344.333 3.732 20 0 EHADRM Cc1nnc(SCc2cccc(NC(=O)[O-])c2)n1-c1ccccc1 ZINC000833925819 605574763 /nfs/dbraw/zinc/57/47/63/605574763.db2.gz GZYZWCTXXWTAGR-UHFFFAOYSA-N -1 0 340.408 3.958 20 0 EHADRM Cc1cc(C(=O)NCc2ccc3ccccc3n2)ccc1NC(=O)[O-] ZINC000829957114 605617998 /nfs/dbraw/zinc/61/79/98/605617998.db2.gz WSFFQJXJNAGKCR-UHFFFAOYSA-N -1 0 335.363 3.563 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(OC(F)F)c2)ccc1NC(=O)[O-] ZINC000829965880 605619818 /nfs/dbraw/zinc/61/98/18/605619818.db2.gz NPVQVPKUHHSMJY-UHFFFAOYSA-N -1 0 336.294 3.939 20 0 EHADRM Cc1cc(C(=O)NCCCc2cccc(F)c2)ccc1NC(=O)[O-] ZINC000829950670 605686741 /nfs/dbraw/zinc/68/67/41/605686741.db2.gz QACLMQUSAJHVOL-UHFFFAOYSA-N -1 0 330.359 3.587 20 0 EHADRM Cc1cc(C(=O)N[C@@H](c2ccccn2)C(C)C)ccc1NC(=O)[O-] ZINC000829939343 605695844 /nfs/dbraw/zinc/69/58/44/605695844.db2.gz CVIVGHDVKZQLBJ-MRXNPFEDSA-N -1 0 327.384 3.607 20 0 EHADRM O=C([O-])NC1CCC(Nc2ccccc2OC[C@@H]2CCCCO2)CC1 ZINC000834166056 605697657 /nfs/dbraw/zinc/69/76/57/605697657.db2.gz CPFGRYFIPKEVPL-GPANFISMSA-N -1 0 348.443 3.625 20 0 EHADRM C/C(=C/CN[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)C(=O)[O-] ZINC000833386183 605701854 /nfs/dbraw/zinc/70/18/54/605701854.db2.gz VVHTUWVGIVSEPZ-BPOWMSRESA-N -1 0 341.251 3.929 20 0 EHADRM CCS[C@H]1CC[C@H](N(C)C(=O)c2ccc(NC(=O)[O-])c(C)c2)C1 ZINC000827495258 605703327 /nfs/dbraw/zinc/70/33/27/605703327.db2.gz IFYHRRZAVDJDCF-KBPBESRZSA-N -1 0 336.457 3.831 20 0 EHADRM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000833603260 605707427 /nfs/dbraw/zinc/70/74/27/605707427.db2.gz ABBRXFHSQPQVEX-SCZZXKLOSA-N -1 0 348.296 3.719 20 0 EHADRM O=C([O-])N1CCCCC[C@@H]1c1noc(-c2cnc(C3CC3)s2)n1 ZINC000834108686 605721034 /nfs/dbraw/zinc/72/10/34/605721034.db2.gz ORGRYBXEHVBIQJ-SNVBAGLBSA-N -1 0 334.401 3.666 20 0 EHADRM CC[C@@H](c1ccncc1)N(CC)C(=O)CN(C(=O)[O-])c1ccccc1 ZINC000826639581 605737231 /nfs/dbraw/zinc/73/72/31/605737231.db2.gz OCBRVCGJSOZRGJ-KRWDZBQOSA-N -1 0 341.411 3.566 20 0 EHADRM Cc1ccc(C(F)(F)c2nc([C@@H](CC(C)C)NC(=O)[O-])no2)cc1 ZINC000833904541 605738477 /nfs/dbraw/zinc/73/84/77/605738477.db2.gz JSCRGEBTXGROPL-GFCCVEGCSA-N -1 0 339.342 3.873 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N2CCC[C@@H]2Cc2ccccc2)c1 ZINC000834265050 605756738 /nfs/dbraw/zinc/75/67/38/605756738.db2.gz KWDQXJYKRFOECQ-GOSISDBHSA-N -1 0 338.407 3.553 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)Nc2ccc(OC(F)F)cc2)c1 ZINC000834265746 605756751 /nfs/dbraw/zinc/75/67/51/605756751.db2.gz BDZRSKXIPGVHPO-UHFFFAOYSA-N -1 0 336.294 3.559 20 0 EHADRM CC(C)c1nnc(CSCc2cc(C(=O)[O-])ccc2Cl)n1C ZINC000833512459 605788182 /nfs/dbraw/zinc/78/81/82/605788182.db2.gz XKOOYYNVWQQLMU-UHFFFAOYSA-N -1 0 339.848 3.724 20 0 EHADRM Cc1ccccc1-c1nc(C(=O)N2CCCCC[C@H]2C(=O)[O-])cs1 ZINC000621568074 605792191 /nfs/dbraw/zinc/79/21/91/605792191.db2.gz LFJSBSORZYZDME-HNNXBMFYSA-N -1 0 344.436 3.588 20 0 EHADRM O=C([O-])N1CCC2(C[C@@H]2c2nc(Cc3ccccc3Cl)no2)CC1 ZINC000834087738 605793062 /nfs/dbraw/zinc/79/30/62/605793062.db2.gz HXFVHKUKMIRSQU-GFCCVEGCSA-N -1 0 347.802 3.561 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CN(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)CC2 ZINC000191654056 605794572 /nfs/dbraw/zinc/79/45/72/605794572.db2.gz BWZHAVHAAQJOLV-CVEARBPZSA-N -1 0 343.467 3.760 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)C23CC4CC(CC(C4)C2)C3)c(F)c1 ZINC000833775574 605804235 /nfs/dbraw/zinc/80/42/35/605804235.db2.gz KHHYISBFQRMIPC-UHFFFAOYSA-N -1 0 332.371 3.575 20 0 EHADRM CCOc1cc(N[C@@H]2C[C@H](NC(=O)[O-])c3ccccc32)ccc1OC ZINC000833862501 605806925 /nfs/dbraw/zinc/80/69/25/605806925.db2.gz YAJCLLKHGJCYFV-CVEARBPZSA-N -1 0 342.395 3.960 20 0 EHADRM CCc1nc([C@H]2CCCCN2Cc2cc(C(=O)[O-])ccc2Cl)no1 ZINC000833672471 605829714 /nfs/dbraw/zinc/82/97/14/605829714.db2.gz AVZNRCRTZOENSV-CQSZACIVSA-N -1 0 349.818 3.711 20 0 EHADRM C[C@H](C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])c1c(F)cccc1F ZINC000833790141 605833230 /nfs/dbraw/zinc/83/32/30/605833230.db2.gz NDZUEABZQLANCC-JTQLQIEISA-N -1 0 346.333 3.748 20 0 EHADRM C[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2F)C[C@H](c2ccsc2)O1 ZINC000833630892 605838438 /nfs/dbraw/zinc/83/84/38/605838438.db2.gz YOMLICZIEZIVTR-BDJLRTHQSA-N -1 0 335.400 3.547 20 0 EHADRM O=C([O-])c1ccc(F)c(CN[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000833781160 605842827 /nfs/dbraw/zinc/84/28/27/605842827.db2.gz SYACKVQFCGQKGT-CQSZACIVSA-N -1 0 327.277 3.917 20 0 EHADRM CCOc1ccccc1CN(C)C(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000827460596 605885205 /nfs/dbraw/zinc/88/52/05/605885205.db2.gz VULYBRICXAMSFW-UHFFFAOYSA-N -1 0 342.395 3.756 20 0 EHADRM O=C([O-])Nc1ccc(CNc2ccc(F)cc2OCC(F)F)cn1 ZINC000834260251 605885668 /nfs/dbraw/zinc/88/56/68/605885668.db2.gz PEQDAIUGKFLNQL-UHFFFAOYSA-N -1 0 341.289 3.567 20 0 EHADRM O=C([O-])NCCCCC(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000834235685 605896482 /nfs/dbraw/zinc/89/64/82/605896482.db2.gz FCJQPWXBAGLVER-INIZCTEOSA-N -1 0 338.835 3.735 20 0 EHADRM O=C([O-])Nc1cc(C(=O)OCc2nc(C3CC3)cs2)ccc1F ZINC000834254562 605914928 /nfs/dbraw/zinc/91/49/28/605914928.db2.gz AGDSVZBFNMANGQ-UHFFFAOYSA-N -1 0 336.344 3.607 20 0 EHADRM O=C([O-])NCCCCC(=O)Nc1ccccc1Nc1ccccc1 ZINC000834235556 605927124 /nfs/dbraw/zinc/92/71/24/605927124.db2.gz SIMJEZIHYKLJOV-UHFFFAOYSA-N -1 0 327.384 3.807 20 0 EHADRM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2Cc1cc(Cl)nc(Cl)c1 ZINC000832239760 605940827 /nfs/dbraw/zinc/94/08/27/605940827.db2.gz PQYNCXKKQYHVKX-YOGCLGLASA-N -1 0 344.242 3.542 20 0 EHADRM O=C([O-])N1CCC2(C[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000834054253 605950484 /nfs/dbraw/zinc/95/04/84/605950484.db2.gz RHRVALLVGCUMRT-SNVBAGLBSA-N -1 0 343.210 3.712 20 0 EHADRM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1csc2ccccc12 ZINC000834096079 605974439 /nfs/dbraw/zinc/97/44/39/605974439.db2.gz HHMBUBLDTOKKFP-NEPJUHHUSA-N -1 0 345.424 3.650 20 0 EHADRM O=C([O-])Nc1cc2ccccc2cc1C(=O)N1CC2(CC(F)C2)C1 ZINC000834255618 605988189 /nfs/dbraw/zinc/98/81/89/605988189.db2.gz IFOHJVAHSPYTAO-UHFFFAOYSA-N -1 0 328.343 3.504 20 0 EHADRM O=C([O-])N1CCCc2cccc(OC[C@@H](O)c3ccc(F)cc3F)c21 ZINC000834117559 606037316 /nfs/dbraw/zinc/03/73/16/606037316.db2.gz ZYHCWXLEMSGUEU-OAHLLOKOSA-N -1 0 349.333 3.508 20 0 EHADRM O=C([O-])N1CCCc2cccc(OC[C@@H](O)c3ccc(F)c(F)c3)c21 ZINC000834116294 606038484 /nfs/dbraw/zinc/03/84/84/606038484.db2.gz RDPCXJICOKDPJM-OAHLLOKOSA-N -1 0 349.333 3.508 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000834272057 606042862 /nfs/dbraw/zinc/04/28/62/606042862.db2.gz XSCOUPMOEPXYAP-UHFFFAOYSA-N -1 0 342.370 3.649 20 0 EHADRM O=C([O-])N1CCC(CCC(=O)N2CCCC[C@H]2c2ccco2)CC1 ZINC000834076438 606052383 /nfs/dbraw/zinc/05/23/83/606052383.db2.gz PYWQYFGNARNHHF-HNNXBMFYSA-N -1 0 334.416 3.503 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000834272954 606052909 /nfs/dbraw/zinc/05/29/09/606052909.db2.gz SHSZFUKZSMIVFJ-INIZCTEOSA-N -1 0 344.798 3.776 20 0 EHADRM C/C=C/c1ccc(Oc2snc(Cl)c2-c2nnn[n-]2)c(OC)c1 ZINC000825029458 608170410 /nfs/dbraw/zinc/17/04/10/608170410.db2.gz SUPVWLXTNVKVCB-ONEGZZNKSA-N -1 0 349.803 3.811 20 0 EHADRM Cc1ccc(C)c(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000181890528 939033320 /nfs/dbraw/zinc/03/33/20/939033320.db2.gz MKVJLHQFCHPNJP-HNNXBMFYSA-N -1 0 335.762 3.652 20 0 EHADRM O=C([O-])C1(NC(=O)CCc2ccc(-c3ccccc3)o2)CCCCC1 ZINC000237925271 939051554 /nfs/dbraw/zinc/05/15/54/939051554.db2.gz MXHPEEUCNRCPPI-UHFFFAOYSA-N -1 0 341.407 3.783 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CCSc1ccccc1Cl)c1ccccc1 ZINC000237989862 939053269 /nfs/dbraw/zinc/05/32/69/939053269.db2.gz IPARMUMOZCKBPB-INIZCTEOSA-N -1 0 349.839 3.764 20 0 EHADRM O=C([O-])C1(NC(=O)c2cccc(C(F)(F)F)c2)CCCCCC1 ZINC000238095458 939057230 /nfs/dbraw/zinc/05/72/30/939057230.db2.gz XYRFHZJGFPNKTI-UHFFFAOYSA-N -1 0 329.318 3.613 20 0 EHADRM CC[C@@](NC(=O)c1cscc1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000262019463 939058224 /nfs/dbraw/zinc/05/82/24/939058224.db2.gz GAVIUUVKTYSKLY-INIZCTEOSA-N -1 0 337.828 3.830 20 0 EHADRM C[C@@H](CC(=O)N[C@@](C)(C(=O)[O-])c1ccc(F)cc1)c1cccc(F)c1 ZINC000263158322 939105313 /nfs/dbraw/zinc/10/53/13/939105313.db2.gz JNIPLXLUXBVPSA-HXPMCKFVSA-N -1 0 347.361 3.575 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)N[C@@H](C(=O)[O-])c2ccccc2)c(C)s1 ZINC000321405369 939123931 /nfs/dbraw/zinc/12/39/31/939123931.db2.gz AQZLZMWHSPENOA-IAQYHMDHSA-N -1 0 332.425 3.551 20 0 EHADRM CCCCOc1ccc(NC(=O)N[C@](C)(C(=O)[O-])C2CC2)c(C)c1 ZINC000780459497 939124829 /nfs/dbraw/zinc/12/48/29/939124829.db2.gz UCCJNFAUNQJCSY-SFHVURJKSA-N -1 0 334.416 3.549 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)c(C)s1 ZINC000324388561 939125487 /nfs/dbraw/zinc/12/54/87/939125487.db2.gz YGQDAYCFWLWOQJ-XIKOKIGWSA-N -1 0 346.452 3.725 20 0 EHADRM Cc1cc([C@H](C)NC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)c(C)s1 ZINC000324388560 939125658 /nfs/dbraw/zinc/12/56/58/939125658.db2.gz YGQDAYCFWLWOQJ-SGTLLEGYSA-N -1 0 346.452 3.725 20 0 EHADRM O=C([O-])[C@@H](NC(=O)NCc1cccs1)c1cccc2ccccc21 ZINC000797702711 939158951 /nfs/dbraw/zinc/15/89/51/939158951.db2.gz GPAITNJCWIUCFU-INIZCTEOSA-N -1 0 340.404 3.526 20 0 EHADRM Cc1cccc(CNC(=O)N[C@@H](C(=O)[O-])c2cccc3ccccc32)c1 ZINC000797707513 939165165 /nfs/dbraw/zinc/16/51/65/939165165.db2.gz SHTTZNQSQQWXKI-LJQANCHMSA-N -1 0 348.402 3.773 20 0 EHADRM O=C([O-])[C@H](NC(=O)NC[C@@H]1CC=CCC1)c1cccc2ccccc21 ZINC000797711309 939170010 /nfs/dbraw/zinc/17/00/10/939170010.db2.gz JCJCPEBIQAERAN-RDTXWAMCSA-N -1 0 338.407 3.621 20 0 EHADRM CC[C@@H](CC(=O)NC1(C(=O)[O-])CCC(C)CC1)c1ccc(OC)cc1 ZINC000439912873 939203436 /nfs/dbraw/zinc/20/34/36/939203436.db2.gz RDCXHSFBAZDPNR-CHWWFWEZSA-N -1 0 347.455 3.729 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c2cccs2)c1 ZINC000448987892 939205189 /nfs/dbraw/zinc/20/51/89/939205189.db2.gz CSMRSPUCYXFOIP-BLLLJJGKSA-N -1 0 347.436 3.581 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@@H]1CC=CCC1)c1ccc(Cl)cc1Cl ZINC000449005253 939207345 /nfs/dbraw/zinc/20/73/45/939207345.db2.gz UMDMCWDLNPBVQT-NOZJJQNGSA-N -1 0 328.195 3.592 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000450525732 939207880 /nfs/dbraw/zinc/20/78/80/939207880.db2.gz SGSMWHXLZRYIIK-HZMBPMFUSA-N -1 0 337.828 3.522 20 0 EHADRM C/C(=C\C(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000836750255 939224197 /nfs/dbraw/zinc/22/41/97/939224197.db2.gz HULJTQHINIRUTR-MNDMWVCDSA-N -1 0 342.222 3.766 20 0 EHADRM COc1ccc([C@H](NC(=O)/C=C(/C)C(C)(C)C)C(=O)[O-])cc1Cl ZINC000836754440 939224940 /nfs/dbraw/zinc/22/49/40/939224940.db2.gz IIWAPZAEDXXKHT-WWRUEGTHSA-N -1 0 339.819 3.583 20 0 EHADRM CCc1oc(C(=O)N[C@@](CC)(C(=O)[O-])c2ccc(Cl)cc2)cc1C ZINC000507284910 939231467 /nfs/dbraw/zinc/23/14/67/939231467.db2.gz OYIJKCNEKMFZIB-GOSISDBHSA-N -1 0 349.814 3.924 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1cccc(N2CCCCC2)c1)C1CCCC1 ZINC000852951430 939240328 /nfs/dbraw/zinc/24/03/28/939240328.db2.gz PBVUGVBPPKYUER-KRWDZBQOSA-N -1 0 330.428 3.506 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)N[C@@H](C(=O)[O-])c2cccs2)c1C ZINC000516704772 939245532 /nfs/dbraw/zinc/24/55/32/939245532.db2.gz CHYXWKWEFMMCFM-IUODEOHRSA-N -1 0 332.425 3.551 20 0 EHADRM CC(C)(C)OC(=O)N[C@](C)(C(=O)[O-])c1ccc(-c2ccoc2)cc1 ZINC000863974321 939246315 /nfs/dbraw/zinc/24/63/15/939246315.db2.gz YVFZNGGTAGYZSD-SFHVURJKSA-N -1 0 331.368 3.771 20 0 EHADRM CSCCCCCCC(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC000864141633 939251256 /nfs/dbraw/zinc/25/12/56/939251256.db2.gz MEMPVCCUNPQKPN-KRWDZBQOSA-N -1 0 337.485 3.859 20 0 EHADRM O=C([O-])[C@H](NC(=O)C1CC2(CCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000872746172 939265760 /nfs/dbraw/zinc/26/57/60/939265760.db2.gz RMLDRAFGONOFRQ-CYBMUJFWSA-N -1 0 341.329 3.528 20 0 EHADRM Cc1cccc(CCC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000539568011 939281330 /nfs/dbraw/zinc/28/13/30/939281330.db2.gz CXSDSHLMAQYAJO-KRWDZBQOSA-N -1 0 331.799 3.523 20 0 EHADRM Cc1cc(C)cc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000539570842 939282617 /nfs/dbraw/zinc/28/26/17/939282617.db2.gz VPZTUFZPLXGCHD-HNNXBMFYSA-N -1 0 335.762 3.652 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CC1CCCCC1)c1ccc(Cl)c(F)c1 ZINC000540666672 939288948 /nfs/dbraw/zinc/28/89/48/939288948.db2.gz NNDHQZSABNQBAE-HNNXBMFYSA-N -1 0 327.783 3.691 20 0 EHADRM O=C([O-])[C@H](NC(=O)CC1CCCCC1)c1ccc(Cl)c(F)c1 ZINC000540666675 939289137 /nfs/dbraw/zinc/28/91/37/939289137.db2.gz NNDHQZSABNQBAE-OAHLLOKOSA-N -1 0 327.783 3.691 20 0 EHADRM CC(C)c1ccc2occ(C(=O)NC3(C(=O)[O-])CCSCC3)c2c1 ZINC000909346800 939397449 /nfs/dbraw/zinc/39/74/49/939397449.db2.gz KYLDYCYTFJCNDT-UHFFFAOYSA-N -1 0 347.436 3.636 20 0 EHADRM O=C([O-])[C@H](NC(=O)CC1CCSCC1)c1ccc2ccccc2c1 ZINC000572342293 939398106 /nfs/dbraw/zinc/39/81/06/939398106.db2.gz MWQKNFLPJDBUIX-GOSISDBHSA-N -1 0 343.448 3.615 20 0 EHADRM O=C([O-])[C@@H](NC(=O)NCc1ccc2ccccc2c1)c1ccsc1 ZINC000572580754 939400102 /nfs/dbraw/zinc/40/01/02/939400102.db2.gz CPBOSPVBYUAUMK-INIZCTEOSA-N -1 0 340.404 3.526 20 0 EHADRM O=C(C=C1CCSCC1)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000909527840 939402049 /nfs/dbraw/zinc/40/20/49/939402049.db2.gz JWGRBZDNXJZHHL-SFHVURJKSA-N -1 0 341.432 3.535 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)N[C@H](C(=O)[O-])c1ccsc1 ZINC000572857102 939403035 /nfs/dbraw/zinc/40/30/35/939403035.db2.gz NLRPZMZUEPMBCW-KGLIPLIRSA-N -1 0 335.450 3.561 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC000573699780 939720795 /nfs/dbraw/zinc/72/07/95/939720795.db2.gz OULKUTMPUINYAT-ULQDDVLXSA-N -1 0 343.448 3.917 20 0 EHADRM CCC[C@H](Cc1ccccc1)NC(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000575821478 939734374 /nfs/dbraw/zinc/73/43/74/939734374.db2.gz JOWSXPBXEOFSDW-ZBFHGGJFSA-N -1 0 346.452 3.584 20 0 EHADRM CC1(C)C[C@@H](NC(=O)N[C@@H](C(=O)[O-])c2ccsc2)c2ccccc21 ZINC000576063437 939736520 /nfs/dbraw/zinc/73/65/20/939736520.db2.gz UBDHWICFHQPMSN-HUUCEWRRSA-N -1 0 344.436 3.596 20 0 EHADRM CC(C)(C)OC1CC(CC(=O)N[C@@]2(C(=O)[O-])CCCC(C)(C)C2)C1 ZINC000910214895 939752738 /nfs/dbraw/zinc/75/27/38/939752738.db2.gz FJXGTTIRJPBKLZ-MHVYXZCWSA-N -1 0 339.476 3.510 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2cccc(COCC3CC3)c2)CCCCC1 ZINC000578785983 939757564 /nfs/dbraw/zinc/75/75/64/939757564.db2.gz CAQVADPGCLDDKB-UHFFFAOYSA-N -1 0 346.427 3.522 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)N[C@@H](C(=O)[O-])c2cccnc2)cc1 ZINC000910982809 939764661 /nfs/dbraw/zinc/76/46/61/939764661.db2.gz QKHDXNJJNSMTJV-IFXJQAMLSA-N -1 0 340.423 3.641 20 0 EHADRM C[C@](NC(=O)C1CC2(CC2)C1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000659156432 939848018 /nfs/dbraw/zinc/84/80/18/939848018.db2.gz IONIYQIGTJKCLC-OAHLLOKOSA-N -1 0 342.222 3.600 20 0 EHADRM Cc1ccc(-c2nc(NC(=O)[C@@H](C(=O)[O-])C3CC3)sc2C)s1 ZINC000656852888 939847309 /nfs/dbraw/zinc/84/73/09/939847309.db2.gz SSKNJBMJHSTHMH-NSHDSACASA-N -1 0 336.438 3.538 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1ccc(CC(F)(F)F)cc1)C1CCCC1 ZINC000663036253 939850756 /nfs/dbraw/zinc/85/07/56/939850756.db2.gz NWGUOEKUXSEEBH-ZDUSSCGKSA-N -1 0 329.318 3.621 20 0 EHADRM CC(C)c1nc2cc(NC(=O)[C@H](C(=O)[O-])C3CCCC3)ccc2o1 ZINC000663071169 939852428 /nfs/dbraw/zinc/85/24/28/939852428.db2.gz JEOAZMHIKFRVRH-OAHLLOKOSA-N -1 0 330.384 3.781 20 0 EHADRM C[C@](NC(=O)Cc1csc2ccccc12)(C(=O)[O-])c1ccccc1 ZINC000678977998 939868292 /nfs/dbraw/zinc/86/82/92/939868292.db2.gz SGAXSBLYWLKCTI-LJQANCHMSA-N -1 0 339.416 3.560 20 0 EHADRM O=C([O-])C1(CNC(=O)c2cc3ccc(F)cc3s2)CCCCC1 ZINC000321640317 970791974 /nfs/dbraw/zinc/79/19/74/970791974.db2.gz YHRPQKDFGVDFQS-UHFFFAOYSA-N -1 0 335.400 3.805 20 0 EHADRM C[C@@H]1CCC[C@H](NC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CC1 ZINC000321932924 970827159 /nfs/dbraw/zinc/82/71/59/970827159.db2.gz BBXOJBGSMVNQTM-ZJUUUORDSA-N -1 0 326.343 3.753 20 0 EHADRM CC(C)(C)[C@@H]1CCCN(C(=O)NCCCCCCC(=O)[O-])CC1 ZINC000321940601 970828500 /nfs/dbraw/zinc/82/85/00/970828500.db2.gz BFGCPQZKZCONDR-OAHLLOKOSA-N -1 0 326.481 3.879 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)c1cc(Cl)c2ccccc2n1 ZINC000322068823 970843245 /nfs/dbraw/zinc/84/32/45/970843245.db2.gz CVOLSDPUTGVRJQ-CQSZACIVSA-N -1 0 334.803 3.507 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1ccsc1 ZINC000322335570 970873984 /nfs/dbraw/zinc/87/39/84/970873984.db2.gz QDVJDYJWDUKUKC-NSHDSACASA-N -1 0 332.425 3.993 20 0 EHADRM N#Cc1cc(N2CCC(CCC(=O)[O-])CC2)ccc1C(F)(F)F ZINC000322556778 970902170 /nfs/dbraw/zinc/90/21/70/970902170.db2.gz CDDUIJMZQAJXKV-UHFFFAOYSA-N -1 0 326.318 3.658 20 0 EHADRM C[C@@H]1CCN(Cc2ncc(-c3cccc(Cl)c3)o2)[C@@H](C(=O)[O-])C1 ZINC000322631777 970911843 /nfs/dbraw/zinc/91/18/43/970911843.db2.gz SKOOQOPCCRNTBK-BXUZGUMPSA-N -1 0 334.803 3.680 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1cc2ccccc2c(Cl)n1 ZINC000323048931 970962114 /nfs/dbraw/zinc/96/21/14/970962114.db2.gz FNSXUESYBHRIOT-UHFFFAOYSA-N -1 0 334.803 3.653 20 0 EHADRM O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)c1cccnc1Cl ZINC000323170958 970971916 /nfs/dbraw/zinc/97/19/16/970971916.db2.gz WMPDXUXYKCQHNY-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM O=C([O-])C1(NC(=O)c2cc3sccc3c(O)c2)CCCCCC1 ZINC001601430496 970995535 /nfs/dbraw/zinc/99/55/35/970995535.db2.gz AVLPSCGGGSNKID-UHFFFAOYSA-N -1 0 333.409 3.514 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)CCCOc1cccc(C)c1 ZINC000323376699 970998299 /nfs/dbraw/zinc/99/82/99/970998299.db2.gz GEGMRMQCRNVGBJ-UHFFFAOYSA-N -1 0 333.409 3.861 20 0 EHADRM COc1ccc(OC)c(Nc2nc(C(C)(C)C(=O)[O-])c(C)s2)c1 ZINC000323513202 971012836 /nfs/dbraw/zinc/01/28/36/971012836.db2.gz ZIVQDDMAZWQHPV-UHFFFAOYSA-N -1 0 336.413 3.575 20 0 EHADRM COc1cc(F)cc(NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000323679906 971029050 /nfs/dbraw/zinc/02/90/50/971029050.db2.gz PQQNSYGFYHDXCB-UHFFFAOYSA-N -1 0 338.722 3.830 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c(C(=O)[O-])c1 ZINC000323892291 971053459 /nfs/dbraw/zinc/05/34/59/971053459.db2.gz NSSBFJMBTAFMOO-UHFFFAOYSA-N -1 0 339.269 3.844 20 0 EHADRM Cc1cc(OCc2ccccc2CC(=O)[O-])c(Cl)cc1[N+](=O)[O-] ZINC000323934883 971061776 /nfs/dbraw/zinc/06/17/76/971061776.db2.gz RLPGVDPHUKGYEF-UHFFFAOYSA-N -1 0 335.743 3.763 20 0 EHADRM CC[C@@H](C)[C@H](C(=O)Nc1ccc(C(=O)[O-])c(O)c1)c1ccccc1 ZINC000323994593 971071040 /nfs/dbraw/zinc/07/10/40/971071040.db2.gz DDWGFDZPQINQBG-PXAZEXFGSA-N -1 0 327.380 3.859 20 0 EHADRM Cc1ccccc1N(CCC(=O)[O-])C(=O)COc1cccc(Cl)c1 ZINC000324228445 971098707 /nfs/dbraw/zinc/09/87/07/971098707.db2.gz RGIAFDPABXLWIZ-UHFFFAOYSA-N -1 0 347.798 3.535 20 0 EHADRM C[C@@H]1CCC[C@H](CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000324230599 971098974 /nfs/dbraw/zinc/09/89/74/971098974.db2.gz GZASVOIEFNOJOB-ZJUUUORDSA-N -1 0 326.343 3.611 20 0 EHADRM Cc1[nH]c2ccccc2c1C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000324355243 971112131 /nfs/dbraw/zinc/11/21/31/971112131.db2.gz GOBBMRHYGUXNLH-UHFFFAOYSA-N -1 0 328.412 3.631 20 0 EHADRM CCc1ccc([C@H](NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C(C)C)cc1 ZINC000324480828 971124881 /nfs/dbraw/zinc/12/48/81/971124881.db2.gz MEXZCNFSSKYMRI-RCCFBDPRSA-N -1 0 331.456 3.953 20 0 EHADRM C[C@@H]1CCC[C@@H](N(C)C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000324590120 971137050 /nfs/dbraw/zinc/13/70/50/971137050.db2.gz ZIEWTYRSXUGNPU-NXEZZACHSA-N -1 0 326.343 3.705 20 0 EHADRM CCCOc1ccc(NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000324616638 971139673 /nfs/dbraw/zinc/13/96/73/971139673.db2.gz OMLGJEZNBQGYCO-AWEZNQCLSA-N -1 0 334.416 3.584 20 0 EHADRM CC(C)c1ccc(CNC(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000324623349 971140847 /nfs/dbraw/zinc/14/08/47/971140847.db2.gz QFBJPJVYCFYGBY-UHFFFAOYSA-N -1 0 330.359 3.969 20 0 EHADRM Cc1ccc(SCCC(=O)NCCc2cccc(C(=O)[O-])c2)cc1 ZINC000324680764 971147644 /nfs/dbraw/zinc/14/76/44/971147644.db2.gz NSZOKYLUTCXWON-UHFFFAOYSA-N -1 0 343.448 3.534 20 0 EHADRM C[C@H](NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000324700276 971149681 /nfs/dbraw/zinc/14/96/81/971149681.db2.gz PKCVEVLTZSBJTG-LBPRGKRZSA-N -1 0 346.814 3.941 20 0 EHADRM CC(C)c1ccc(NC(=O)NCCc2ccccc2C(=O)[O-])cc1 ZINC000324811589 971159173 /nfs/dbraw/zinc/15/91/73/971159173.db2.gz POKOXDPRRBIUBL-UHFFFAOYSA-N -1 0 326.396 3.872 20 0 EHADRM O=C([O-])Cc1ccc(OCc2cc(Cl)c3c(c2)OCCCO3)cc1 ZINC000324919915 971170157 /nfs/dbraw/zinc/17/01/57/971170157.db2.gz ZHFXMPZBVQYRGM-UHFFFAOYSA-N -1 0 348.782 3.707 20 0 EHADRM COc1ccc(CCC(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1Cl ZINC000325014330 971176433 /nfs/dbraw/zinc/17/64/33/971176433.db2.gz DILSBBWENIJJDW-UHFFFAOYSA-N -1 0 347.798 3.927 20 0 EHADRM O=C([O-])c1ccc(CNCc2c(F)cccc2OC(F)(F)F)cc1 ZINC001602348203 971187852 /nfs/dbraw/zinc/18/78/52/971187852.db2.gz UWBHYCXETXJPLI-UHFFFAOYSA-N -1 0 343.276 3.712 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)N3CCC[C@H](C(C)(C)C(=O)[O-])C3)cc2C1 ZINC000325439493 971215704 /nfs/dbraw/zinc/21/57/04/971215704.db2.gz LGUZWTFMPZJKMZ-OCCSQVGLSA-N -1 0 349.496 3.836 20 0 EHADRM O=C([O-])C1(CNC(=O)c2cc(C(F)(F)F)ccc2F)CCCCC1 ZINC000325519537 971222356 /nfs/dbraw/zinc/22/23/56/971222356.db2.gz PJUOFNJRXKSWPF-UHFFFAOYSA-N -1 0 347.308 3.609 20 0 EHADRM Cc1ccccc1OCCCC(=O)Nc1c(F)cccc1C(=O)[O-] ZINC000325619909 971231685 /nfs/dbraw/zinc/23/16/85/971231685.db2.gz JCHIRLBYPJECMC-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM CCCC[C@@H](CC)CNC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000325796426 971244313 /nfs/dbraw/zinc/24/43/13/971244313.db2.gz ZWSZZAIDRWNJKT-CQSZACIVSA-N -1 0 332.444 3.669 20 0 EHADRM O=C([O-])c1ccc2c(c1)N(C(=O)c1ccccc1C(F)(F)F)CC2 ZINC000326309401 971281202 /nfs/dbraw/zinc/28/12/02/971281202.db2.gz UJZNWNBQRXLOGP-UHFFFAOYSA-N -1 0 335.281 3.607 20 0 EHADRM O=C([O-])C1(NC(=O)c2cc(Cl)nc3ccccc32)CCCCCC1 ZINC000326449232 971293900 /nfs/dbraw/zinc/29/39/00/971293900.db2.gz NUQXDCZBWPNQCN-UHFFFAOYSA-N -1 0 346.814 3.796 20 0 EHADRM CCc1ccc(NC(=O)CCc2ccccc2OC)c(C(=O)[O-])c1 ZINC000326573052 971305160 /nfs/dbraw/zinc/30/51/60/971305160.db2.gz XACJNITYCYRSTC-UHFFFAOYSA-N -1 0 327.380 3.527 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000326586197 971306157 /nfs/dbraw/zinc/30/61/57/971306157.db2.gz FIMQWCDQUADHOP-INIZCTEOSA-N -1 0 339.391 3.948 20 0 EHADRM COc1cc(NC(=O)N[C@H]2CCCc3sccc32)ccc1C(=O)[O-] ZINC000326885007 971340409 /nfs/dbraw/zinc/34/04/09/971340409.db2.gz DOGUZTMNYVUTDL-ZDUSSCGKSA-N -1 0 346.408 3.654 20 0 EHADRM COc1cc(NC(=O)N[C@@H](C)c2cc(C)sc2C)ccc1C(=O)[O-] ZINC000326889064 971341005 /nfs/dbraw/zinc/34/10/05/971341005.db2.gz FSRIUOJMBWUIKJ-JTQLQIEISA-N -1 0 348.424 3.954 20 0 EHADRM CCCCc1ccc(CC(=O)Nc2ccc(OC)cc2C(=O)[O-])cc1 ZINC000326957995 971350355 /nfs/dbraw/zinc/35/03/55/971350355.db2.gz LIOVMWQMRLFUHR-UHFFFAOYSA-N -1 0 341.407 3.917 20 0 EHADRM CCCC[C@@H](CCC)NC(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000327156721 971373119 /nfs/dbraw/zinc/37/31/19/971373119.db2.gz ZDXWMCWEAVIOEX-OAHLLOKOSA-N -1 0 332.444 3.811 20 0 EHADRM CC(C)COc1ccc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000327168423 971373841 /nfs/dbraw/zinc/37/38/41/971373841.db2.gz YLGNEWQHLPRTPZ-UHFFFAOYSA-N -1 0 341.407 3.692 20 0 EHADRM Cc1ccccc1N(CCC(=O)[O-])C(=O)c1ccc2ccccc2n1 ZINC000327356313 971391917 /nfs/dbraw/zinc/39/19/17/971391917.db2.gz GOYQENFZFGBEKX-UHFFFAOYSA-N -1 0 334.375 3.665 20 0 EHADRM CC(C)CC1(CNC(=O)Nc2cccc(OCC(=O)[O-])c2)CCCC1 ZINC000327543340 971407781 /nfs/dbraw/zinc/40/77/81/971407781.db2.gz LOMCSGFLUPKVQP-UHFFFAOYSA-N -1 0 348.443 3.878 20 0 EHADRM C/C(=C/c1c(Cl)cccc1Cl)C(=O)N(C)CCCC(=O)[O-] ZINC001602736206 971422519 /nfs/dbraw/zinc/42/25/19/971422519.db2.gz KFBQXNXGEAMOBZ-KTKRTIGZSA-N -1 0 330.211 3.720 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)N2CC[C@@H](c3ccccc3)C2)c1F ZINC000327857381 971429996 /nfs/dbraw/zinc/42/99/96/971429996.db2.gz SYDDOJUQBVCBDN-GFCCVEGCSA-N -1 0 346.333 3.684 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2ccc(F)c3ccccc23)cc1 ZINC000327886070 971432205 /nfs/dbraw/zinc/43/22/05/971432205.db2.gz UMWGWVMEKZYNMU-UHFFFAOYSA-N -1 0 339.322 3.695 20 0 EHADRM CN(Cc1ccc2ccccc2c1)C(=O)Cc1ccccc1C(=O)[O-] ZINC000327926889 971434236 /nfs/dbraw/zinc/43/42/36/971434236.db2.gz FDDBSOOLIBISPT-UHFFFAOYSA-N -1 0 333.387 3.739 20 0 EHADRM CCC[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc21)C(=O)[O-] ZINC000002685560 948772186 /nfs/dbraw/zinc/77/21/86/948772186.db2.gz HKQTUHZLOCNFQA-GOSISDBHSA-N -1 0 348.402 3.885 20 0 EHADRM CCOc1ccc(OCCCC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000013094630 948776271 /nfs/dbraw/zinc/77/62/71/948776271.db2.gz FTZCQLVDGPKQEO-UHFFFAOYSA-N -1 0 343.379 3.581 20 0 EHADRM CC[C@H](CNc1nc2c(cccc2Br)s1)C(=O)[O-] ZINC001589555008 948779587 /nfs/dbraw/zinc/77/95/87/948779587.db2.gz BIDCREBARWKFKV-SSDOTTSWSA-N -1 0 329.219 3.582 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC001589561289 948813177 /nfs/dbraw/zinc/81/31/77/948813177.db2.gz QAYASMYKKFNXPJ-UWJYYQICSA-N -1 0 339.435 3.680 20 0 EHADRM CC[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccn1)c1ccc(Cl)cc1 ZINC001589566233 948871940 /nfs/dbraw/zinc/87/19/40/948871940.db2.gz RXNNZHGTPYERAM-CYBMUJFWSA-N -1 0 333.775 3.706 20 0 EHADRM CC[C@H](NC(=O)c1coc(/C=C/C(=O)[O-])c1)c1cc(F)ccc1F ZINC001589568652 948891455 /nfs/dbraw/zinc/89/14/55/948891455.db2.gz NVOSLLJMLIGSEF-DRDHIDPGSA-N -1 0 335.306 3.537 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)c1ccccc1Cc1ccccc1)C2 ZINC000341341072 971517403 /nfs/dbraw/zinc/51/74/03/971517403.db2.gz AYOIIMSRHZKPGB-AVRDEDQJSA-N -1 0 349.430 3.604 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)s1 ZINC000050921933 948920659 /nfs/dbraw/zinc/92/06/59/948920659.db2.gz SIKZMDQGRIWNLD-LXSSAFMLSA-N -1 0 327.833 3.661 20 0 EHADRM CCCC[C@@H](NC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000347256071 971522099 /nfs/dbraw/zinc/52/20/99/971522099.db2.gz FCEMYPBGWYMBMF-TVQRCGJNSA-N -1 0 348.226 3.520 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)CCCOc2ccc(Cl)cc2)cc1 ZINC000347108678 971522202 /nfs/dbraw/zinc/52/22/02/971522202.db2.gz OOEYSJIVTSIMSH-UHFFFAOYSA-N -1 0 347.798 3.765 20 0 EHADRM Cc1c(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cnn1-c1ccccc1 ZINC000349459544 971527220 /nfs/dbraw/zinc/52/72/20/971527220.db2.gz MIRLPWLMTDTALM-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM Cc1ccc(C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)cc1F ZINC000348014214 971528024 /nfs/dbraw/zinc/52/80/24/971528024.db2.gz ZNKWAJOKAMFIFZ-UHFFFAOYSA-N -1 0 335.762 3.515 20 0 EHADRM CC(C)[C@@H](NC(=O)c1cccc(C(=O)[O-])n1)c1ccc(Cl)cc1 ZINC000362495740 971535229 /nfs/dbraw/zinc/53/52/29/971535229.db2.gz DNAJLSSLGNZWBT-OAHLLOKOSA-N -1 0 332.787 3.560 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)COc2ccc(C(C)C)c(C)c2)C1 ZINC001589591504 949091255 /nfs/dbraw/zinc/09/12/55/949091255.db2.gz IGSHZUDRLMASMI-HXUWFJFHSA-N -1 0 347.455 3.601 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)o1 ZINC000369706911 971553185 /nfs/dbraw/zinc/55/31/85/971553185.db2.gz OBLRGPXNMMLTSB-UHFFFAOYSA-N -1 0 331.755 3.561 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N2CC3(CCCC3)[C@H]2c2ccco2)o1 ZINC001595225659 949290019 /nfs/dbraw/zinc/29/00/19/949290019.db2.gz PGHBYQRIUQCRCW-BQLWYNFJSA-N -1 0 341.363 3.728 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)o1 ZINC001595226385 949298666 /nfs/dbraw/zinc/29/86/66/949298666.db2.gz VVSGIVIICDTCHI-GTBONMDNSA-N -1 0 347.317 3.633 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCCSC[C@@H]2c2ccccc2)c1 ZINC001595240511 949444724 /nfs/dbraw/zinc/44/47/24/949444724.db2.gz CYLDHDPJNKJQIN-QGZVFWFLSA-N -1 0 341.432 3.705 20 0 EHADRM CC[C@@H]1CCCc2sc(NC(=O)[C@@]3(C(=O)[O-])CC=CCC3)nc21 ZINC001589623763 949449413 /nfs/dbraw/zinc/44/94/13/949449413.db2.gz YTVIBMPHZMROTM-PIGZYNQJSA-N -1 0 334.441 3.723 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N2CC3(CCC3)[C@H]2c2ccncc2)c1 ZINC001595248615 949528890 /nfs/dbraw/zinc/52/88/90/949528890.db2.gz IUBMPABZWLWWLF-MRXNPFEDSA-N -1 0 337.379 3.539 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2c[nH]nc2-c2ccc(Cl)s2)c1 ZINC001595249932 949547640 /nfs/dbraw/zinc/54/76/40/949547640.db2.gz UMOPYNQWKSAIHW-UHFFFAOYSA-N -1 0 347.783 3.742 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N1CCc2ccc(Cl)cc2C1 ZINC001595256093 949615335 /nfs/dbraw/zinc/61/53/35/949615335.db2.gz RFQAVNSIBOWFJU-UHFFFAOYSA-N -1 0 330.771 3.628 20 0 EHADRM CCCC[C@H](CC)COC(=O)c1ccc(NC(=O)[C@H](C)C(=O)[O-])cc1 ZINC001589640969 949690998 /nfs/dbraw/zinc/69/09/98/949690998.db2.gz NUHKMJDHKDAZDX-KBPBESRZSA-N -1 0 349.427 3.719 20 0 EHADRM CCCCCC[C@H](CC)C(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001589645146 949719715 /nfs/dbraw/zinc/71/97/15/949719715.db2.gz RMWLOCDZTPZLAT-UYFTZEKXSA-N -1 0 339.476 3.512 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)c2cc3ccc(C(F)(F)F)cc3[nH]2)c1 ZINC001595263936 949724885 /nfs/dbraw/zinc/72/48/85/949724885.db2.gz UUKRTYMRBZCHQF-UHFFFAOYSA-N -1 0 349.268 3.532 20 0 EHADRM CCCCN(C)c1ccc(C(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC001589647733 949751006 /nfs/dbraw/zinc/75/10/06/949751006.db2.gz PJYTXMWCNKKNQJ-UHFFFAOYSA-N -1 0 340.423 3.551 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000232722530 949783584 /nfs/dbraw/zinc/78/35/84/949783584.db2.gz GDAHPDXHSNRPID-CQSZACIVSA-N -1 0 341.407 3.594 20 0 EHADRM CC[C@@H](CNC(=O)c1cccc(C(=O)[O-])c1)Oc1ccccc1Cl ZINC000236978468 949946846 /nfs/dbraw/zinc/94/68/46/949946846.db2.gz LWHSFMGHEFGHOH-AWEZNQCLSA-N -1 0 347.798 3.626 20 0 EHADRM COc1ccc2cc(C(=O)Nc3cccc(C(=O)[O-])c3)c(C)nc2c1 ZINC000237275031 949957962 /nfs/dbraw/zinc/95/79/62/949957962.db2.gz SOIDRLZTAXZOIQ-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM Cn1c2ccccc2c(Cl)c1C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000237711472 949975180 /nfs/dbraw/zinc/97/51/80/949975180.db2.gz GTXZLISJEAAVBQ-LBPRGKRZSA-N -1 0 348.830 3.691 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000237986031 949986154 /nfs/dbraw/zinc/98/61/54/949986154.db2.gz VATYXXQYQUHZMD-CQSZACIVSA-N -1 0 348.830 3.610 20 0 EHADRM CCCOC(=O)c1ccc(NC(=O)C2(C(=O)[O-])CCCCCC2)cc1 ZINC001589677467 950013349 /nfs/dbraw/zinc/01/33/49/950013349.db2.gz JWGSUXIMVDKJPH-UHFFFAOYSA-N -1 0 347.411 3.617 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)Nc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000379293987 971631680 /nfs/dbraw/zinc/63/16/80/971631680.db2.gz WOVOBHAKDOPCPZ-BDAKNGLRSA-N -1 0 348.296 3.609 20 0 EHADRM CCCOc1cc(F)ccc1NC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC001589680099 950037783 /nfs/dbraw/zinc/03/77/83/950037783.db2.gz LDUYOPVBJVVIGL-INIZCTEOSA-N -1 0 346.358 3.562 20 0 EHADRM O=C([O-])COc1cccc(C(=O)N2CCC[C@H]2CC2CCCCC2)c1 ZINC000262064651 950057546 /nfs/dbraw/zinc/05/75/46/950057546.db2.gz DMUBRJQKROIPHO-KRWDZBQOSA-N -1 0 345.439 3.725 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000262073425 950060189 /nfs/dbraw/zinc/06/01/89/950060189.db2.gz KEHRTDQECOPFSI-GZBFAFLISA-N -1 0 349.839 3.718 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)NC1(c2ccc(F)cc2)CCCC1 ZINC000262159660 950074703 /nfs/dbraw/zinc/07/47/03/950074703.db2.gz KJIFFJKRHZDHAS-UHFFFAOYSA-N -1 0 341.382 3.652 20 0 EHADRM CCCc1ccc(CCCC(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])cc1 ZINC001589691229 950112427 /nfs/dbraw/zinc/11/24/27/950112427.db2.gz DMMXXKWBOYKQAQ-HNAYVOBHSA-N -1 0 331.456 3.674 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)Nc2cc(C3CC3)ccn2)c1 ZINC000262982092 950205692 /nfs/dbraw/zinc/20/56/92/950205692.db2.gz CDILBZNTHNQLQD-UHFFFAOYSA-N -1 0 325.368 3.620 20 0 EHADRM CCSCc1ccc(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1 ZINC000263121826 950277774 /nfs/dbraw/zinc/27/77/74/950277774.db2.gz MCMKCZPKXFJGPS-GXTWGEPZSA-N -1 0 336.457 3.514 20 0 EHADRM C[C@@H](NC(=O)N(C)CCC(=O)[O-])c1ccc(Cl)c2ccccc21 ZINC000263215400 950329762 /nfs/dbraw/zinc/32/97/62/950329762.db2.gz JIKUKODKRBGQQA-LLVKDONJSA-N -1 0 334.803 3.670 20 0 EHADRM CC[C@H](Cc1ccccc1)N(C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263461542 950473823 /nfs/dbraw/zinc/47/38/23/950473823.db2.gz IWILOHWDIFHBNI-GOSISDBHSA-N -1 0 340.423 3.548 20 0 EHADRM O=C([O-])CCCCNC(=O)Nc1ccccc1OCc1ccccc1 ZINC000310990271 950722280 /nfs/dbraw/zinc/72/22/80/950722280.db2.gz HNFSTNYDYRMKGV-UHFFFAOYSA-N -1 0 342.395 3.642 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)CCc1nc2ccccc2s1 ZINC000314275824 950815014 /nfs/dbraw/zinc/81/50/14/950815014.db2.gz OZQKGKVRTOZISN-UHFFFAOYSA-N -1 0 332.406 3.627 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)/C=C\c2cc(Cl)cc(Cl)c2)C1 ZINC000315669671 950851010 /nfs/dbraw/zinc/85/10/10/950851010.db2.gz WDWPYBWVWQTFHH-MVZIDQBPSA-N -1 0 342.222 3.720 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000316836069 950891590 /nfs/dbraw/zinc/89/15/90/950891590.db2.gz KVWDGQLSUWTITK-NSHDSACASA-N -1 0 341.860 3.534 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC[C@@H]1C(=O)[O-] ZINC000319026469 950945432 /nfs/dbraw/zinc/94/54/32/950945432.db2.gz RRDJBFBYNCULAF-APPZFPTMSA-N -1 0 349.189 3.707 20 0 EHADRM CCOC(=O)CN(Cc1ccc(C(=O)[O-])cc1)[C@@H](C)c1ccccc1 ZINC001590648627 950970976 /nfs/dbraw/zinc/97/09/76/950970976.db2.gz XOXSKMNAKZFRML-HNNXBMFYSA-N -1 0 341.407 3.511 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1csc(-c2ccco2)n1 ZINC000319992979 950974187 /nfs/dbraw/zinc/97/41/87/950974187.db2.gz LSSSKNXSOZKBHI-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM O=C([O-])c1c(NC(=O)Cc2cccc(F)c2)sc2c1CCCC2 ZINC000320104849 950976619 /nfs/dbraw/zinc/97/66/19/950976619.db2.gz YVXKZJBVUPPJCJ-UHFFFAOYSA-N -1 0 333.384 3.645 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000320554740 950992002 /nfs/dbraw/zinc/99/20/02/950992002.db2.gz QSSYHNOWJSTCNL-CHWSQXEVSA-N -1 0 338.835 3.687 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)NCCC(=O)[O-])c1ccc(Cl)cc1 ZINC001602859482 971710695 /nfs/dbraw/zinc/71/06/95/971710695.db2.gz MFAPWQHEAOPBKW-ZDUSSCGKSA-N -1 0 326.824 3.591 20 0 EHADRM CCN(Cc1ccccc1Cl)C(=O)Cc1ccccc1C(=O)[O-] ZINC000336870637 951131629 /nfs/dbraw/zinc/13/16/29/951131629.db2.gz BDOLPXQJEFSDAH-UHFFFAOYSA-N -1 0 331.799 3.629 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)Cc2ccc3ccccc3c2)Cc2ccccc21 ZINC000347372885 951132427 /nfs/dbraw/zinc/13/24/27/951132427.db2.gz QSECHVLQGHKBNU-FQEVSTJZSA-N -1 0 345.398 3.593 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000345785070 951134171 /nfs/dbraw/zinc/13/41/71/951134171.db2.gz STDUQEXECOKWBD-LBPRGKRZSA-N -1 0 341.194 3.554 20 0 EHADRM CC(C)Cn1cc(C(=O)NCCCCCC(=O)[O-])c2ccccc21 ZINC000355860790 951136006 /nfs/dbraw/zinc/13/60/06/951136006.db2.gz HEMYIMPMQIGPLI-UHFFFAOYSA-N -1 0 330.428 3.672 20 0 EHADRM CN(CCC(=O)[O-])C(=O)[C@H]1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000378166770 951152659 /nfs/dbraw/zinc/15/26/59/951152659.db2.gz CSJXUAYVEMUYOJ-STQMWFEESA-N -1 0 346.452 3.503 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C/C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000378471333 951153399 /nfs/dbraw/zinc/15/33/99/951153399.db2.gz DNJPIGVGJDOQCZ-BOLDSZDNSA-N -1 0 345.439 3.590 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)N[C@@H](C2CCC2)C2CCCC2)C1 ZINC001595012887 951272429 /nfs/dbraw/zinc/27/24/29/951272429.db2.gz LWVXZYLKUVRGNQ-KBXCAEBGSA-N -1 0 336.476 3.632 20 0 EHADRM CCOc1c(Cl)cccc1NC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001592009187 951291709 /nfs/dbraw/zinc/29/17/09/951291709.db2.gz JOINROUWAWXHSJ-ZDUSSCGKSA-N -1 0 325.792 3.568 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCC[C@@]1(c1ccccc1)C(F)(F)F ZINC001595032045 951378388 /nfs/dbraw/zinc/37/83/88/951378388.db2.gz SSIVDQKLSWPADE-MRXNPFEDSA-N -1 0 343.345 3.712 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1Cc1c(F)c(F)c(F)c(F)c1F ZINC000390883152 951390255 /nfs/dbraw/zinc/39/02/55/951390255.db2.gz VISAXCMZKMEVPX-MRVPVSSYSA-N -1 0 337.288 3.601 20 0 EHADRM O=C([O-])CCCCC(=O)Oc1ccc(-n2ncc3ccccc32)cc1 ZINC001595034985 951395740 /nfs/dbraw/zinc/39/57/40/951395740.db2.gz VEZTUQGBENUCJT-UHFFFAOYSA-N -1 0 338.363 3.576 20 0 EHADRM CCc1cc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)cc(Cl)n1 ZINC000392520955 951422494 /nfs/dbraw/zinc/42/24/94/951422494.db2.gz ZUCNVYSSZIYKFB-CQSZACIVSA-N -1 0 344.798 3.516 20 0 EHADRM O=C([O-])CCCNC(=O)Nc1ccccc1Oc1cccc(F)c1 ZINC001595050166 951465612 /nfs/dbraw/zinc/46/56/12/951465612.db2.gz BSEUTCCOILGCOS-UHFFFAOYSA-N -1 0 332.331 3.604 20 0 EHADRM Cc1cc(NC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)c(Cl)cc1F ZINC000397110036 951527301 /nfs/dbraw/zinc/52/73/01/951527301.db2.gz QFLXJIAFTPFKAZ-UWVGGRQHSA-N -1 0 328.771 3.505 20 0 EHADRM O=C([O-])CN(C(=O)CC(c1ccccc1)c1ccccc1)C1CCC1 ZINC001595067530 951570726 /nfs/dbraw/zinc/57/07/26/951570726.db2.gz HLKFIWTTYONZEI-UHFFFAOYSA-N -1 0 337.419 3.674 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC001595137002 952060283 /nfs/dbraw/zinc/06/02/83/952060283.db2.gz LNWVHSDWHSPAGK-UHFFFAOYSA-N -1 0 341.260 3.724 20 0 EHADRM CC(C)(CCNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)C1CC1 ZINC000382381836 971810679 /nfs/dbraw/zinc/81/06/79/971810679.db2.gz INVXQGYAYWMJDJ-UHFFFAOYSA-N -1 0 326.343 3.611 20 0 EHADRM O=C([O-])[C@H]1CCCCN1C(=O)c1ccc(-c2cccc(F)c2)s1 ZINC001595193651 952295494 /nfs/dbraw/zinc/29/54/94/952295494.db2.gz RBSJJCJWZNLDAR-CYBMUJFWSA-N -1 0 333.384 3.634 20 0 EHADRM O=C([O-])CCCCCNC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000414622086 953401008 /nfs/dbraw/zinc/40/10/08/953401008.db2.gz GIKHGEANBGVDCI-UHFFFAOYSA-N -1 0 344.411 3.636 20 0 EHADRM O=C([O-])[C@@H](Cc1ccccc1)NCc1ncc(-c2ccccc2)s1 ZINC000426681547 953492003 /nfs/dbraw/zinc/49/20/03/953492003.db2.gz BDORBLAUYRKSAR-MRXNPFEDSA-N -1 0 338.432 3.596 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000431645686 953503255 /nfs/dbraw/zinc/50/32/55/953503255.db2.gz RDLMUROVRAENKE-VIFPVBQESA-N -1 0 339.800 3.677 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cccc(-c3cscn3)c2)C1 ZINC000449140587 953512990 /nfs/dbraw/zinc/51/29/90/953512990.db2.gz NYCMUCZGWKYYOW-ZDUSSCGKSA-N -1 0 344.436 3.527 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)NCCc2ccccc2)c1Cl ZINC001594763107 953517741 /nfs/dbraw/zinc/51/77/41/953517741.db2.gz OQDYCRHNTUAFPZ-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])cc1 ZINC000486016928 953531425 /nfs/dbraw/zinc/53/14/25/953531425.db2.gz MAJAAAFVGLOUBR-IFXJQAMLSA-N -1 0 337.419 3.563 20 0 EHADRM CC[C@H](NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)c1cc(C)ccc1C ZINC000529227617 953556839 /nfs/dbraw/zinc/55/68/39/953556839.db2.gz UBFIKSSHHRHURQ-UNEWFSDZSA-N -1 0 332.444 3.507 20 0 EHADRM O=C([O-])[C@@H]1CCN(Cc2cccnc2C(F)(F)F)c2ccccc21 ZINC000530166248 953557250 /nfs/dbraw/zinc/55/72/50/953557250.db2.gz NOQRSBWPOJYFRQ-CYBMUJFWSA-N -1 0 336.313 3.679 20 0 EHADRM CC[C@H](CNC(=O)c1ccc(C(=O)[O-])cc1)Oc1ccccc1Cl ZINC000531745437 953560889 /nfs/dbraw/zinc/56/08/89/953560889.db2.gz CHFHEDWXSZFLNZ-CQSZACIVSA-N -1 0 347.798 3.626 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)NCC1(C(=O)[O-])CCC1 ZINC000531751741 953560912 /nfs/dbraw/zinc/56/09/12/953560912.db2.gz DREBEWPPXZMYHG-UHFFFAOYSA-N -1 0 333.453 3.730 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)Nc1ccccc1CC(F)(F)F ZINC000537476701 953572015 /nfs/dbraw/zinc/57/20/15/953572015.db2.gz XZRHCCSIJVMKRQ-UHFFFAOYSA-N -1 0 337.297 3.671 20 0 EHADRM CCSCc1ccc(NC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000563711566 953599654 /nfs/dbraw/zinc/59/96/54/953599654.db2.gz AGIDXFOYBWCZIF-IUODEOHRSA-N -1 0 336.457 3.514 20 0 EHADRM CCc1ccc(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1CC ZINC001593635497 953608716 /nfs/dbraw/zinc/60/87/16/953608716.db2.gz UCTOLADFXFJBIF-AFAVFJNCSA-N -1 0 331.456 3.677 20 0 EHADRM CCc1ccc([C@H]2CCCN(C(=O)[C@H](C(=O)[O-])C(C)(C)C)C2)cc1 ZINC001593637395 953618168 /nfs/dbraw/zinc/61/81/68/953618168.db2.gz VUVDISUKIZXLMH-DLBZAZTESA-N -1 0 331.456 3.702 20 0 EHADRM CCc1cccc(C)c1NC(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001593640203 953639650 /nfs/dbraw/zinc/63/96/50/953639650.db2.gz UDPDREVHDSOLBV-INIZCTEOSA-N -1 0 330.359 3.644 20 0 EHADRM CC[C@H](NC(=O)c1cc2cc(C(F)(F)F)ccc2s1)C(=O)[O-] ZINC000568284530 953643976 /nfs/dbraw/zinc/64/39/76/953643976.db2.gz IDVIXUTVGHXPIY-VIFPVBQESA-N -1 0 331.315 3.513 20 0 EHADRM CC(C)c1nc2cc(NC(=O)N3C[C@H](C)C[C@H](C(=O)[O-])C3)ccc2o1 ZINC000571669173 953664321 /nfs/dbraw/zinc/66/43/21/953664321.db2.gz HMAOPVPAELTVAR-NEPJUHHUSA-N -1 0 345.399 3.526 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)C[C@@H]1C(=O)[O-] ZINC000573324703 953673363 /nfs/dbraw/zinc/67/33/63/953673363.db2.gz WLNVPNJQPXVRNU-KCJUWKMLSA-N -1 0 349.736 3.542 20 0 EHADRM C[C@@]1(CCc2ccccc2)CCN(C(=O)C2(CC(=O)[O-])CCC2)C1 ZINC000577116723 953691939 /nfs/dbraw/zinc/69/19/39/953691939.db2.gz DUZPLGSFTGNMQK-LJQANCHMSA-N -1 0 329.440 3.503 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCCCC[C@H]2/C=C/c2ccccc2)C1 ZINC001594793341 953700200 /nfs/dbraw/zinc/70/02/00/953700200.db2.gz JIQYBTRNOYYWPL-HMTIOLNVSA-N -1 0 342.439 3.517 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)C2(c3cccc(Cl)c3)CCCCC2)C1 ZINC001594795046 953709248 /nfs/dbraw/zinc/70/92/48/953709248.db2.gz MLZMJOVJZLXPFN-NNUKFRKNSA-N -1 0 335.831 3.521 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000582063112 953721260 /nfs/dbraw/zinc/72/12/60/953721260.db2.gz PMUSDDSQPGTSQV-RNCFNFMXSA-N -1 0 335.400 3.532 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1csc(C2CCCCC2)n1 ZINC001589304217 953724536 /nfs/dbraw/zinc/72/45/36/953724536.db2.gz HHUQIYJYXBQOPX-WCQYABFASA-N -1 0 336.457 3.516 20 0 EHADRM O=C(Nc1cc(F)ccc1Oc1ccccc1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594801781 953743890 /nfs/dbraw/zinc/74/38/90/953743890.db2.gz OOONQAQDVAGJQS-AULYBMBSSA-N -1 0 344.342 3.603 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(CNc3ccccc3)cc2)cn1 ZINC001594804466 953771376 /nfs/dbraw/zinc/77/13/76/953771376.db2.gz QXHVMPDCDBGZSM-UHFFFAOYSA-N -1 0 347.374 3.644 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(OC3CCCC3)cc2)ccc1O ZINC001594805591 953779490 /nfs/dbraw/zinc/77/94/90/953779490.db2.gz YQNBXABKKYWTBM-UHFFFAOYSA-N -1 0 341.363 3.664 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001589310048 953781005 /nfs/dbraw/zinc/78/10/05/953781005.db2.gz CASRSMNFDDHDAX-UWWQBHOKSA-N -1 0 347.455 3.588 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC001589310600 953789779 /nfs/dbraw/zinc/78/97/79/953789779.db2.gz TUZJXBJRVLRUGP-IFIJOSMWSA-N -1 0 349.427 3.506 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000626747981 953802269 /nfs/dbraw/zinc/80/22/69/953802269.db2.gz DHJJBALYAZNLFB-XBFCOCLRSA-N -1 0 344.411 3.554 20 0 EHADRM C[C@@H]1CCC[C@@H](C(=O)Nc2scc(-c3cnn(C)c3)c2C(=O)[O-])C1 ZINC001589314582 953821299 /nfs/dbraw/zinc/82/12/99/953821299.db2.gz HJFXIGFLIFFUQH-GHMZBOCLSA-N -1 0 347.440 3.612 20 0 EHADRM O=C(Nc1cccc(Oc2ccccc2F)c1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001594811089 953821333 /nfs/dbraw/zinc/82/13/33/953821333.db2.gz UPTJCCVFFLMNBD-BJHJDKERSA-N -1 0 344.342 3.603 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)NC1(c2cccc(F)c2)CCC1 ZINC001594811282 953826735 /nfs/dbraw/zinc/82/67/35/953826735.db2.gz YGAXFWJLBYLCSF-UHFFFAOYSA-N -1 0 328.343 3.725 20 0 EHADRM O=C([O-])CCCCCNC(=O)C1(c2cc(F)cc(F)c2)CCCC1 ZINC000630132114 953839349 /nfs/dbraw/zinc/83/93/49/953839349.db2.gz QMRVEQPRRQRKNR-UHFFFAOYSA-N -1 0 339.382 3.538 20 0 EHADRM Cc1oc(-c2ccccc2)cc1C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000630142791 953840654 /nfs/dbraw/zinc/84/06/54/953840654.db2.gz NXIUNGQSJASWNX-OAHLLOKOSA-N -1 0 329.396 3.732 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1)CC(=O)[O-] ZINC000630200700 953846630 /nfs/dbraw/zinc/84/66/30/953846630.db2.gz MJCPNIQOTIROGA-RRQGHBQHSA-N -1 0 335.419 3.573 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccccc2OC2CCCC2)CC[C@@H]1C(=O)[O-] ZINC000630558906 953858355 /nfs/dbraw/zinc/85/83/55/953858355.db2.gz RYTTYDOPSPHQLQ-HIFRSBDPSA-N -1 0 346.427 3.583 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1nc2ccccc2n1C1CCCCC1 ZINC001594818173 953883585 /nfs/dbraw/zinc/88/35/85/953883585.db2.gz LMGILUQWPFDYLP-UONOGXRCSA-N -1 0 341.411 3.591 20 0 EHADRM CC(C)=C[C@H]1[C@@H](C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)C1(C)C ZINC000644631364 953915644 /nfs/dbraw/zinc/91/56/44/953915644.db2.gz LOOHCMZLBUFUNE-MHORFTMASA-N -1 0 341.451 3.552 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)C1(C)C ZINC000644631365 953915873 /nfs/dbraw/zinc/91/58/73/953915873.db2.gz LOOHCMZLBUFUNE-MLHJIOFPSA-N -1 0 341.451 3.552 20 0 EHADRM CN(C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)[C@H]1CCC(C)(C)C1 ZINC001593677310 953940831 /nfs/dbraw/zinc/94/08/31/953940831.db2.gz DOXLHQPKEAFBSF-VBNZEHGJSA-N -1 0 330.428 3.520 20 0 EHADRM CN(C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)[C@@H]1CCC(C)(C)C1 ZINC001593677309 953940881 /nfs/dbraw/zinc/94/08/81/953940881.db2.gz DOXLHQPKEAFBSF-UHOFOFEASA-N -1 0 330.428 3.520 20 0 EHADRM CCCOc1ccc(NC(=O)N2CCC(C)(C(=O)[O-])CC2)c(C)c1 ZINC000647693949 953963886 /nfs/dbraw/zinc/96/38/86/953963886.db2.gz XTDLIPGLGPHLQZ-UHFFFAOYSA-N -1 0 334.416 3.502 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1cccc(-c2nc3ccccc3o2)c1)C1CC1 ZINC001594837674 954040578 /nfs/dbraw/zinc/04/05/78/954040578.db2.gz NJQOUGOQMBNCKR-MRXNPFEDSA-N -1 0 336.347 3.544 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)[C@H](c2ccccc2)C2CC2)c2ccccc21 ZINC000653327909 954155492 /nfs/dbraw/zinc/15/54/92/954155492.db2.gz BEYBTSXDBLWWFT-CEXWTWQISA-N -1 0 335.403 3.610 20 0 EHADRM C[C@H]1CCc2c(sc(NC(=O)C3CC(F)(F)C3)c2C(=O)[O-])C1 ZINC001589361058 954155516 /nfs/dbraw/zinc/15/55/16/954155516.db2.gz GCHVZPSQKMNJQS-ZETCQYMHSA-N -1 0 329.368 3.555 20 0 EHADRM Cc1cccc(CC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1Cl ZINC000653328803 954158409 /nfs/dbraw/zinc/15/84/09/954158409.db2.gz NGMXTMFYEJOUAM-HZPDHXFCSA-N -1 0 343.810 3.620 20 0 EHADRM Cc1ccc(SCC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000653333184 954164025 /nfs/dbraw/zinc/16/40/25/954164025.db2.gz MAQNSAHGWQKCTL-IRXDYDNUSA-N -1 0 341.432 3.517 20 0 EHADRM Cc1ccccc1C(C)(C)C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000653335539 954168197 /nfs/dbraw/zinc/16/81/97/954168197.db2.gz RHZADSSOJOPKFC-FUHWJXTLSA-N -1 0 337.419 3.702 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)C[C@@H](C)c1ccccc1C(F)(F)F ZINC000653341811 954175313 /nfs/dbraw/zinc/17/53/13/954175313.db2.gz MOYBODMARNVUPL-MFKMUULPSA-N -1 0 331.334 3.521 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000655549746 954200136 /nfs/dbraw/zinc/20/01/36/954200136.db2.gz DBBVPPUVGQEPMG-ZDUSSCGKSA-N -1 0 346.452 3.647 20 0 EHADRM CC(C)c1cc(NC(=O)CCCCC(=O)[O-])n(Cc2ccccc2)n1 ZINC000655587251 954228443 /nfs/dbraw/zinc/22/84/43/954228443.db2.gz QRCKOINKJHIVOD-UHFFFAOYSA-N -1 0 343.427 3.638 20 0 EHADRM CC(C)[C@H](CNC(=O)N[C@@H](C)c1ccc(F)c2ccccc21)C(=O)[O-] ZINC000655880500 954265861 /nfs/dbraw/zinc/26/58/61/954265861.db2.gz ZYERADFXESQYCQ-LRDDRELGSA-N -1 0 346.402 3.696 20 0 EHADRM CC(C)C(CNC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21)C(C)C ZINC001602983363 972006024 /nfs/dbraw/zinc/00/60/24/972006024.db2.gz NRQJDYOEFQLOGM-RDJZCZTQSA-N -1 0 332.444 3.527 20 0 EHADRM C[C@@H]1CN(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)[C@H]2CCCC[C@H]12 ZINC001589377706 954278215 /nfs/dbraw/zinc/27/82/15/954278215.db2.gz RRSYCKLAOTUFTD-GPYXMWEOSA-N -1 0 342.439 3.520 20 0 EHADRM C[C@@H](NC(=O)N([C@@H](C)c1ccco1)C1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655903409 954284429 /nfs/dbraw/zinc/28/44/29/954284429.db2.gz AURRXDWLLHZAKO-PAPYEOQZSA-N -1 0 348.443 3.650 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(-c3ccc(Cl)cc3)c[nH]2)CC[C@H]1C(=O)[O-] ZINC001589382546 954286998 /nfs/dbraw/zinc/28/69/98/954286998.db2.gz GZWDHTMDSTZOOV-XHDPSFHLSA-N -1 0 346.814 3.518 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cccc(F)c2C(C)(F)F)CC[C@@H]1C(=O)[O-] ZINC001589386519 954308496 /nfs/dbraw/zinc/30/84/96/954308496.db2.gz HTUSMUGCILEOGZ-UWVGGRQHSA-N -1 0 344.333 3.512 20 0 EHADRM CC(C)[C@H](CNC(=O)N[C@H]1CCC[C@H](C(C)(C)C)CC1)C(=O)[O-] ZINC001602983408 972005839 /nfs/dbraw/zinc/00/58/39/972005839.db2.gz PWNXAUNJUXAFDE-KKUMJFAQSA-N -1 0 326.481 3.637 20 0 EHADRM Cc1cccc2c1CCC[C@@H]2NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000659418155 954343264 /nfs/dbraw/zinc/34/32/64/954343264.db2.gz DODCXNTVKIEYRP-SFHVURJKSA-N -1 0 344.455 3.659 20 0 EHADRM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)NCC2(C(=O)[O-])CCC2)cc1 ZINC000659420369 954344413 /nfs/dbraw/zinc/34/44/13/954344413.db2.gz NFGSMXQNSTWQDC-IRXDYDNUSA-N -1 0 344.455 3.527 20 0 EHADRM Cc1ccc([C@@H](C)N(C)C(=O)c2ccc(OCC(=O)[O-])cc2)c(C)c1 ZINC000659752111 954352403 /nfs/dbraw/zinc/35/24/03/954352403.db2.gz AOKYZLFUZUCDPX-OAHLLOKOSA-N -1 0 341.407 3.600 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)CC=CC1 ZINC001594870957 954355105 /nfs/dbraw/zinc/35/51/05/954355105.db2.gz HDBLZCBLGDJBMW-UHFFFAOYSA-N -1 0 349.386 3.648 20 0 EHADRM C[C@H](NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c1ccc(-c2ccncc2)cc1 ZINC000663041426 954415268 /nfs/dbraw/zinc/41/52/68/954415268.db2.gz XUTMPEBPQFXUCL-GUYCJALGSA-N -1 0 340.423 3.673 20 0 EHADRM Cc1csc(Nc2ccc(NC(=O)[C@]3(C(=O)[O-])CC3(C)C)cc2)n1 ZINC000663069511 954442727 /nfs/dbraw/zinc/44/27/27/954442727.db2.gz MJTPDFNKROQFIB-KRWDZBQOSA-N -1 0 345.424 3.635 20 0 EHADRM CCC(CC)c1cc(CNC(=O)C2(C(=O)[O-])CCCCCC2)on1 ZINC000663086004 954464795 /nfs/dbraw/zinc/46/47/95/954464795.db2.gz KDZYIUFPMSTNLK-UHFFFAOYSA-N -1 0 336.432 3.620 20 0 EHADRM O=C([O-])C1(c2noc(C3(c4cc(F)cc(F)c4)CCCC3)n2)CCC1 ZINC001594887540 954477223 /nfs/dbraw/zinc/47/72/23/954477223.db2.gz QWOFRLAGWYVYSO-UHFFFAOYSA-N -1 0 348.349 3.714 20 0 EHADRM COc1ccc(NC(=O)NCCCCCCC(=O)[O-])cc1Cl ZINC000385887402 972020088 /nfs/dbraw/zinc/02/00/88/972020088.db2.gz NRVGOKAIKGDKPE-UHFFFAOYSA-N -1 0 328.796 3.505 20 0 EHADRM Cc1cc(Br)c(Cl)cc1NC(=O)[C@@H](C(=O)[O-])C(C)C ZINC000663127571 954518039 /nfs/dbraw/zinc/51/80/39/954518039.db2.gz OINQYYMSMSLILH-NSHDSACASA-N -1 0 348.624 3.706 20 0 EHADRM CC(C)[C@@]1(C)C[C@H]1NC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666552057 954558780 /nfs/dbraw/zinc/55/87/80/954558780.db2.gz ZAFBWJSFOJXATR-YLJYHZDGSA-N -1 0 344.455 3.708 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)on2)c2ccccc21 ZINC000669436185 954572563 /nfs/dbraw/zinc/57/25/63/954572563.db2.gz BSOHNAOULFODNF-OAHLLOKOSA-N -1 0 348.358 3.560 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCCCCCCC2)c2ccccc21 ZINC001594899261 954604496 /nfs/dbraw/zinc/60/44/96/954604496.db2.gz BGZYZEZLOJMRHF-DLBZAZTESA-N -1 0 330.428 3.665 20 0 EHADRM Cc1nc(-c2ccccc2)ccc1C(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000683326647 954605206 /nfs/dbraw/zinc/60/52/06/954605206.db2.gz ZCUFWDWXSNWJGN-MRXNPFEDSA-N -1 0 338.407 3.526 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)C(=O)C1(Cc2cccc(F)c2)CCCCC1 ZINC001589432904 954660426 /nfs/dbraw/zinc/66/04/26/954660426.db2.gz RSFOPKQWNVFUIO-MRXNPFEDSA-N -1 0 335.419 3.640 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(Cl)ccc1OC1CCCC1 ZINC001589435117 954681902 /nfs/dbraw/zinc/68/19/02/954681902.db2.gz CAJTWFKIXZNIKF-AWEZNQCLSA-N -1 0 339.819 3.597 20 0 EHADRM O=C([O-])[C@@H]1CCN(Cc2cnn(Cc3ccccc3)c2)c2ccccc21 ZINC001594933639 954839700 /nfs/dbraw/zinc/83/97/00/954839700.db2.gz AIRFCIFHEBEXDQ-LJQANCHMSA-N -1 0 347.418 3.510 20 0 EHADRM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001589462314 954862199 /nfs/dbraw/zinc/86/21/99/954862199.db2.gz DMNZBLOVLBUAKE-KSSFIOAISA-N -1 0 347.455 3.680 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)NCCC2=CCCCCC2)Cc2ccccc21 ZINC001594946426 954915736 /nfs/dbraw/zinc/91/57/36/954915736.db2.gz KXVQDFUZUMPBQO-SFHVURJKSA-N -1 0 342.439 3.661 20 0 EHADRM CCC(CC)(CNC(=O)NC[C@@]1(c2ccccc2)CC1(C)C)C(=O)[O-] ZINC001589494125 955016777 /nfs/dbraw/zinc/01/67/77/955016777.db2.gz YVJWMQDPYWLXDL-HXUWFJFHSA-N -1 0 346.471 3.545 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)co1 ZINC001594965187 955045284 /nfs/dbraw/zinc/04/52/84/955045284.db2.gz DHSTXMBJMGHFIP-SZZPACECSA-N -1 0 345.782 3.661 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)Nc2cncc(C(=O)[O-])c2)cc1 ZINC001589512536 955051574 /nfs/dbraw/zinc/05/15/74/955051574.db2.gz FCZCKOUFEKOUKV-UHFFFAOYSA-N -1 0 328.368 3.600 20 0 EHADRM O=C([O-])CCCC(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000753968495 955262879 /nfs/dbraw/zinc/26/28/79/955262879.db2.gz UTTSXEKEIFCLMB-UHFFFAOYSA-N -1 0 334.759 3.721 20 0 EHADRM C/C(=C/C(=O)N([C@@H](C)C(=O)[O-])C1CC1)c1cccc(C(F)(F)F)c1 ZINC000766971560 955316307 /nfs/dbraw/zinc/31/63/07/955316307.db2.gz RGCYAWKZDFUMEK-IEHMKBBKSA-N -1 0 341.329 3.573 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000769528523 955321336 /nfs/dbraw/zinc/32/13/36/955321336.db2.gz VAVKKMCCWARBQS-ZBYDSPNZSA-N -1 0 345.439 3.590 20 0 EHADRM CC(C)CN(CCc1ccccc1)C(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001603026060 972086572 /nfs/dbraw/zinc/08/65/72/972086572.db2.gz UIQQLMRCWHEAHV-SFHVURJKSA-N -1 0 331.456 3.605 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)c1ccccc1NCCC1=CCCCC1 ZINC001589002407 955340743 /nfs/dbraw/zinc/34/07/43/955340743.db2.gz RCFIEPMAEJBFQM-CQSZACIVSA-N -1 0 330.428 3.582 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1ccc(SC(F)F)cc1)C(=O)[O-] ZINC000797733549 955348557 /nfs/dbraw/zinc/34/85/57/955348557.db2.gz DGSPLJAFWUQQPK-KWQFWETISA-N -1 0 332.372 3.622 20 0 EHADRM C[C@](CNC(=O)/C=C/c1ccc(Cl)cc1)(C(=O)[O-])c1ccccc1 ZINC000799251296 955352612 /nfs/dbraw/zinc/35/26/12/955352612.db2.gz CVGNYEKZFUBGFA-VSRDTVRMSA-N -1 0 343.810 3.512 20 0 EHADRM C[C@H](CC(F)(F)F)C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001589006458 955365915 /nfs/dbraw/zinc/36/59/15/955365915.db2.gz GLXWOFFQGWXRAJ-LLVKDONJSA-N -1 0 343.345 3.679 20 0 EHADRM CCCCN(C)c1ccc(NC(=O)NCCC(C)(C)C(=O)[O-])cc1 ZINC000818622782 955405679 /nfs/dbraw/zinc/40/56/79/955405679.db2.gz DEEIIVRISOBNAV-UHFFFAOYSA-N -1 0 335.448 3.545 20 0 EHADRM Cn1c(SCCCC(=O)[O-])nnc1-c1ccc(C(C)(C)C)cc1 ZINC001594523843 955483229 /nfs/dbraw/zinc/48/32/29/955483229.db2.gz YJLTTWWKQOAYSH-UHFFFAOYSA-N -1 0 333.457 3.737 20 0 EHADRM CC(C)(CNC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)C1CCCC1 ZINC001589051880 955669969 /nfs/dbraw/zinc/66/99/69/955669969.db2.gz KJEHZHYVNUDBFI-HXUWFJFHSA-N -1 0 346.471 3.545 20 0 EHADRM CCCCn1ccnc1-c1cccc(NC(=O)CCCC(=O)[O-])c1 ZINC000844251856 955670491 /nfs/dbraw/zinc/67/04/91/955670491.db2.gz JBWYNCMOAWLRJB-UHFFFAOYSA-N -1 0 329.400 3.544 20 0 EHADRM CN(Cc1ccccc1)c1ccccc1NC(=O)CCCC(=O)[O-] ZINC000844252296 955670535 /nfs/dbraw/zinc/67/05/35/955670535.db2.gz FPOJXIRWYWQWTL-UHFFFAOYSA-N -1 0 326.396 3.516 20 0 EHADRM CC(C)C[C@H](CNC(=O)/C=C\c1nc2ccccc2s1)CC(=O)[O-] ZINC000846121773 955686431 /nfs/dbraw/zinc/68/64/31/955686431.db2.gz NSONWENHDYVXGP-WSROAFLRSA-N -1 0 346.452 3.563 20 0 EHADRM CCN(c1ccc(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)cc1)C(C)C ZINC000846708976 955714791 /nfs/dbraw/zinc/71/47/91/955714791.db2.gz PQHVESTZSYDDSO-LJQANCHMSA-N -1 0 330.428 3.671 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F ZINC000846715519 955725014 /nfs/dbraw/zinc/72/50/14/955725014.db2.gz PNIQDPGEWWUIFY-KGTBHZDVSA-N -1 0 349.736 3.607 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC001589088305 955916771 /nfs/dbraw/zinc/91/67/71/955916771.db2.gz PDYJFYKIUWABDD-MADCSZMMSA-N -1 0 336.190 3.667 20 0 EHADRM Cc1cc2c(CC(=O)NC[C@H](CC(C)C)C(=O)[O-])csc2s1 ZINC000864122123 955950210 /nfs/dbraw/zinc/95/02/10/955950210.db2.gz MJRAESMFSYDVMR-NSHDSACASA-N -1 0 339.482 3.677 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)CCc1cccc2ccccc21 ZINC000864133743 955957436 /nfs/dbraw/zinc/95/74/36/955957436.db2.gz ZAYGHMNXENMORX-KRWDZBQOSA-N -1 0 325.408 3.628 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N(Cc2ccccc2F)CC2CC2)o1 ZINC000864155540 955969599 /nfs/dbraw/zinc/96/95/99/955969599.db2.gz SDBIVDIUPNFDLU-CSKARUKUSA-N -1 0 343.354 3.569 20 0 EHADRM C[C@H](NC(=O)Nc1cncc(C(=O)[O-])c1)c1cccc(C2CC2)c1 ZINC001589109226 956058104 /nfs/dbraw/zinc/05/81/04/956058104.db2.gz UMWLTEDRSRUCLB-NSHDSACASA-N -1 0 325.368 3.540 20 0 EHADRM C[C@@H](NC(=O)Nc1cscc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589113083 956066663 /nfs/dbraw/zinc/06/66/63/956066663.db2.gz HOHOXXUTGZBDQO-HRDYMLBCSA-N -1 0 330.837 3.658 20 0 EHADRM CO[C@@H](C)CC(=O)Nc1scc(-c2ccsc2)c1C(=O)[O-] ZINC001593937796 956236375 /nfs/dbraw/zinc/23/63/75/956236375.db2.gz GFZSEBNKJXAXCU-QMMMGPOBSA-N -1 0 325.411 3.538 20 0 EHADRM CC(C)c1ccccc1OCCNC(=O)Nc1ccccc1C(=O)[O-] ZINC001603106106 972180248 /nfs/dbraw/zinc/18/02/48/972180248.db2.gz YXLXOLCMZDMVQN-UHFFFAOYSA-N -1 0 342.395 3.709 20 0 EHADRM CCN(C(=O)c1coc(/C=C/C(=O)[O-])c1)[C@@H](C)Cc1ccsc1 ZINC000901631323 956395098 /nfs/dbraw/zinc/39/50/98/956395098.db2.gz WURLBPUZKBMUSJ-ITKZLYELSA-N -1 0 333.409 3.532 20 0 EHADRM Cc1cc(N2CCCC2)ccc1NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000901717220 956437266 /nfs/dbraw/zinc/43/72/66/956437266.db2.gz IJWWIJIJQQZYCN-RMKNXTFCSA-N -1 0 340.379 3.538 20 0 EHADRM CC(C)n1nc(-c2ccco2)cc1NC(=O)C1(C(=O)[O-])CCCCC1 ZINC001603115119 972194694 /nfs/dbraw/zinc/19/46/94/972194694.db2.gz KQNMSUKYKGXSJE-UHFFFAOYSA-N -1 0 345.399 3.698 20 0 EHADRM CCCCOCCCNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC000388874164 972196864 /nfs/dbraw/zinc/19/68/64/972196864.db2.gz LLZNOSLIXHKBRK-UHFFFAOYSA-N -1 0 330.768 3.565 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)Nc2ccc(C(F)(F)F)c(F)c2)CC1 ZINC001589192765 956601543 /nfs/dbraw/zinc/60/15/43/956601543.db2.gz LQKYDPLGUYNFBY-UHFFFAOYSA-N -1 0 348.296 3.563 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)CC[C@H]2CCc3ccccc32)Cc2ccccc21 ZINC000902068356 956637791 /nfs/dbraw/zinc/63/77/91/956637791.db2.gz AASUGAHZEPBKCG-OXQOHEQNSA-N -1 0 349.430 3.707 20 0 EHADRM C[C@@H]1N(C(=O)c2coc(/C=C/C(=O)[O-])c2)c2ccccc2C1(C)C ZINC000902073474 956641687 /nfs/dbraw/zinc/64/16/87/956641687.db2.gz BZTPXWMQRCOGPH-BCPZQOPPSA-N -1 0 325.364 3.704 20 0 EHADRM O=C([O-])c1cc(NC(=O)/C=C/c2ccc(F)c3ccccc23)ccn1 ZINC001594674593 956647348 /nfs/dbraw/zinc/64/73/48/956647348.db2.gz IXTWRKIZBQEANA-SOFGYWHQSA-N -1 0 336.322 3.724 20 0 EHADRM Cc1ccc(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1N1CCCC1 ZINC000902668275 956761463 /nfs/dbraw/zinc/76/14/63/956761463.db2.gz LIQZQGRSDMIEJH-VQHVLOKHSA-N -1 0 340.379 3.538 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Oc1cc(Br)ccc1Cl ZINC001589220298 956766733 /nfs/dbraw/zinc/76/67/33/956766733.db2.gz NYZDFISVFYKNTR-ZDUSSCGKSA-N -1 0 347.592 3.509 20 0 EHADRM Cc1ccc(N(CC2CC2)C(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000902729599 956783416 /nfs/dbraw/zinc/78/34/16/956783416.db2.gz JLSWHJWTZUXEFD-UHFFFAOYSA-N -1 0 339.391 3.515 20 0 EHADRM CC1(C)CCc2cccc(NC(=O)c3cccc(C(=O)[O-])c3)c2O1 ZINC001589226678 956806168 /nfs/dbraw/zinc/80/61/68/956806168.db2.gz HKXWIFHZHHKACI-UHFFFAOYSA-N -1 0 325.364 3.741 20 0 EHADRM O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)c2cccc(F)c2F)C1 ZINC000902825750 956816477 /nfs/dbraw/zinc/81/64/77/956816477.db2.gz BFEPBHVGJPUCDC-GFCCVEGCSA-N -1 0 345.345 3.649 20 0 EHADRM C[C@H]1CC(=O)N(C)c2ccc(NCc3ccc(C(=O)[O-])s3)cc21 ZINC000903692499 956873125 /nfs/dbraw/zinc/87/31/25/956873125.db2.gz LSKRXIKPXLGJRK-JTQLQIEISA-N -1 0 330.409 3.528 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cc2coc3c2ccc(F)c3F)c(F)c1 ZINC001594711768 956889564 /nfs/dbraw/zinc/88/95/64/956889564.db2.gz JNDKWOGSVDFTSC-UHFFFAOYSA-N -1 0 349.264 3.730 20 0 EHADRM Cc1cccc(-c2nnc(S[C@H](C(=O)[O-])c3ccccc3)o2)c1 ZINC000012178457 956904168 /nfs/dbraw/zinc/90/41/68/956904168.db2.gz IWWDPPDBKNZACF-AWEZNQCLSA-N -1 0 326.377 3.963 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2cc(F)ccc2s1)c1ccc(F)cc1 ZINC001594715965 956925988 /nfs/dbraw/zinc/92/59/88/956925988.db2.gz HXBWIXHRZGYPLE-OAHLLOKOSA-N -1 0 347.342 3.735 20 0 EHADRM CC(C)N(C(=O)COc1ccc(Cl)cc1C(=O)[O-])c1ccccc1 ZINC000013083412 956932389 /nfs/dbraw/zinc/93/23/89/956932389.db2.gz MHBXXIWOTINXFV-UHFFFAOYSA-N -1 0 347.798 3.859 20 0 EHADRM O=C([O-])c1ccc(NC(=O)COc2c(Cl)cccc2Cl)cc1 ZINC000013166737 956946851 /nfs/dbraw/zinc/94/68/51/956946851.db2.gz CAHYNQDQOHMALQ-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1 ZINC000013166956 956948504 /nfs/dbraw/zinc/94/85/04/956948504.db2.gz DOFZTSDHSPXLRF-UHFFFAOYSA-N -1 0 327.355 3.974 20 0 EHADRM Cc1ccccc1SCC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000013176994 956957534 /nfs/dbraw/zinc/95/75/34/956957534.db2.gz RZPONRHGDJCPRJ-OAHLLOKOSA-N -1 0 347.411 3.558 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCC(C)(c2ccc(Cl)cc2)CC1 ZINC001589252383 956961314 /nfs/dbraw/zinc/96/13/14/956961314.db2.gz FIYUKOUTOCLBPF-IBGZPJMESA-N -1 0 349.858 3.721 20 0 EHADRM CC1(c2ccc(Cl)cc2)CCN(C(=O)C2(C(=O)[O-])CC=CC2)CC1 ZINC001589252381 956961359 /nfs/dbraw/zinc/96/13/59/956961359.db2.gz FFYYXGDPTMHCLS-UHFFFAOYSA-N -1 0 347.842 3.641 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(OC(F)F)c2)cc1 ZINC000013178795 956961265 /nfs/dbraw/zinc/96/12/65/956961265.db2.gz WWEMTTRDXFRLCD-HNNXBMFYSA-N -1 0 349.333 3.542 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2csc3c2CCCC3)cc1 ZINC000013181050 956966592 /nfs/dbraw/zinc/96/65/92/956966592.db2.gz OKDLQJQRUOLZKL-INIZCTEOSA-N -1 0 343.448 3.881 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)N[C@@H]2CCC[C@H](C3CC3)C2)c2ccccc21 ZINC001594726356 957008190 /nfs/dbraw/zinc/00/81/90/957008190.db2.gz MKURRRFVVBZFOM-IHETXDGRSA-N -1 0 342.439 3.568 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)c2ccc(C(F)F)cc2)c2ccccc21 ZINC001594727141 957015690 /nfs/dbraw/zinc/01/56/90/957015690.db2.gz QUDPGXDCCQDNQS-GJZGRUSLSA-N -1 0 331.318 3.667 20 0 EHADRM Cc1ccc(OCCCC(=O)N2CCC[C@H](CCC(=O)[O-])C2)c(C)c1 ZINC000909474382 957019439 /nfs/dbraw/zinc/01/94/39/957019439.db2.gz COILCJXNTOGCNP-QGZVFWFLSA-N -1 0 347.455 3.566 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)c1cc2c(s1)CCC2 ZINC000013390081 957042668 /nfs/dbraw/zinc/04/26/68/957042668.db2.gz NISPNONTKIXLGW-UHFFFAOYSA-N -1 0 327.405 3.528 20 0 EHADRM CC(C)C[C@H](NC(=O)COc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000013419211 957059430 /nfs/dbraw/zinc/05/94/30/957059430.db2.gz GSFLCHAZSPTPPQ-SFHVURJKSA-N -1 0 341.407 3.667 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCC(=O)Nc1cccc(C(C)C)c1 ZINC000013420569 957063884 /nfs/dbraw/zinc/06/38/84/957063884.db2.gz BUFVHJUQCULAQH-UHFFFAOYSA-N -1 0 343.379 3.534 20 0 EHADRM CN(C(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1C(=O)[O-] ZINC000013441113 957080677 /nfs/dbraw/zinc/08/06/77/957080677.db2.gz WFARPOIMRMQMGB-UHFFFAOYSA-N -1 0 338.190 3.897 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000911575119 957082392 /nfs/dbraw/zinc/08/23/92/957082392.db2.gz UMORHLSBDOJCON-ZWKOTPCHSA-N -1 0 347.455 3.526 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)c2cc3c(s2)CCCCC3)cc1 ZINC000013443100 957083007 /nfs/dbraw/zinc/08/30/07/957083007.db2.gz TTYHUQYALZISLF-UHFFFAOYSA-N -1 0 343.448 3.688 20 0 EHADRM C[C@H]1CCc2sc(C(=O)N3CCc4cc(C(=O)[O-])ccc43)cc2C1 ZINC000013448034 957086390 /nfs/dbraw/zinc/08/63/90/957086390.db2.gz FIHFWFNAPVZACH-NSHDSACASA-N -1 0 341.432 3.774 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2ccccc2OC(C)C)C1 ZINC000925945634 957134672 /nfs/dbraw/zinc/13/46/72/957134672.db2.gz YSFHKYQCNNKMQQ-SFHVURJKSA-N -1 0 334.416 3.583 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1O ZINC000021500873 957150443 /nfs/dbraw/zinc/15/04/43/957150443.db2.gz LFAGUMMJSKWTSB-UHFFFAOYSA-N -1 0 326.135 3.650 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)[C@@H]2CCC[C@H](F)C2)CC1 ZINC001118061310 957158315 /nfs/dbraw/zinc/15/83/15/957158315.db2.gz SQJUMWOOOYWDHS-CABCVRRESA-N -1 0 333.403 3.619 20 0 EHADRM O=C([O-])c1cc(NC(=O)Cn2ccc3ccccc32)ccc1Cl ZINC000026103024 957161580 /nfs/dbraw/zinc/16/15/80/957161580.db2.gz ZOYSCSUCKCEZSB-UHFFFAOYSA-N -1 0 328.755 3.632 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(Br)cc2F)s1 ZINC000035185567 957199712 /nfs/dbraw/zinc/19/97/12/957199712.db2.gz UIJPSOLWIOMSBI-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM CC(C)(CCNC(=O)Nc1ccccc1SC(F)F)C(=O)[O-] ZINC000389933466 972256331 /nfs/dbraw/zinc/25/63/31/972256331.db2.gz WORAEGMOQCJLLB-UHFFFAOYSA-N -1 0 332.372 3.624 20 0 EHADRM CCn1cc(Cl)cc1C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000036856491 957241965 /nfs/dbraw/zinc/24/19/65/957241965.db2.gz NRHKKNVXGOCJCL-UHFFFAOYSA-N -1 0 327.167 3.765 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(Cc3ccncc3)cc2)CCCCC1 ZINC001180439248 957247534 /nfs/dbraw/zinc/24/75/34/957247534.db2.gz WODBXLSKAVEKSB-UHFFFAOYSA-N -1 0 338.407 3.646 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 ZINC001261530810 957258662 /nfs/dbraw/zinc/25/86/62/957258662.db2.gz MZWHTZXHJWGYNA-SNVBAGLBSA-N -1 0 326.462 3.509 20 0 EHADRM Cc1ccc2[nH]c(C(=O)NC[C@H](CC(C)C)C(=O)[O-])c(Cl)c2c1 ZINC001319965594 957304235 /nfs/dbraw/zinc/30/42/35/957304235.db2.gz RTQNLNWGLGPAEJ-NSHDSACASA-N -1 0 336.819 3.606 20 0 EHADRM Cc1c(C(=O)[O-])sc2[nH]c(C(Cl)=Cc3cccnc3)nc(=O)c12 ZINC000038386801 957357461 /nfs/dbraw/zinc/35/74/61/957357461.db2.gz SVGDVFRBZSMWOB-UITAMQMPSA-N -1 0 347.783 3.535 20 0 EHADRM Cc1ccc(NC(=O)NCCCCCC(=O)[O-])c(Br)c1 ZINC000040533639 957373587 /nfs/dbraw/zinc/37/35/87/957373587.db2.gz BPQYEHZGSUEMMZ-UHFFFAOYSA-N -1 0 343.221 3.524 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)c2cc3ccccc3s2)c1 ZINC000390067008 972263126 /nfs/dbraw/zinc/26/31/26/972263126.db2.gz SBSVEPGYLFTQSG-UHFFFAOYSA-N -1 0 325.389 3.572 20 0 EHADRM C[C@](CNC(=O)/C(F)=C\C1CCCCC1)(C(=O)[O-])c1ccccc1 ZINC001603168101 972266988 /nfs/dbraw/zinc/26/69/88/972266988.db2.gz KUVSHHKVNVDHCH-APEZIOSESA-N -1 0 333.403 3.579 20 0 EHADRM O=C([O-])Cc1sc(NC(=O)C2CCCC2)nc1-c1ccccc1 ZINC000054232345 957524873 /nfs/dbraw/zinc/52/48/73/957524873.db2.gz XGGCULOMLAZFFQ-UHFFFAOYSA-N -1 0 330.409 3.566 20 0 EHADRM O=C([O-])c1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12 ZINC000390269957 972273128 /nfs/dbraw/zinc/27/31/28/972273128.db2.gz JMLFOWKOXDSOFE-UHFFFAOYSA-N -1 0 328.755 3.632 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1cc(Br)ccc1Cl ZINC000061837627 957592939 /nfs/dbraw/zinc/59/29/39/957592939.db2.gz WASSYKXWTASKIG-SSDOTTSWSA-N -1 0 334.597 3.542 20 0 EHADRM CC(C)(C)c1ccc(OCC(=O)Oc2ccc(C(=O)[O-])cc2)cc1 ZINC000066144682 957642636 /nfs/dbraw/zinc/64/26/36/957642636.db2.gz MRFQESAQUJVYBQ-UHFFFAOYSA-N -1 0 328.364 3.667 20 0 EHADRM Cc1sc(NC(=O)COc2ccc(C)c(C)c2)c(C(=O)[O-])c1C ZINC000390394355 972281028 /nfs/dbraw/zinc/28/10/28/972281028.db2.gz FDMCRYFDNQHQKS-UHFFFAOYSA-N -1 0 333.409 3.697 20 0 EHADRM Cc1ccc(C(=O)Oc2ccc(C(=O)[O-])cc2Br)cc1 ZINC000066144938 957643887 /nfs/dbraw/zinc/64/38/87/957643887.db2.gz YMRYEBGNVFBLKK-UHFFFAOYSA-N -1 0 335.153 3.675 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2cccc(COCC3CC3)c2)CCCC1 ZINC000068409303 957647648 /nfs/dbraw/zinc/64/76/48/957647648.db2.gz NOUMHPWZFFDPNH-UHFFFAOYSA-N -1 0 345.439 3.977 20 0 EHADRM Cc1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1Br ZINC000070140520 957661181 /nfs/dbraw/zinc/66/11/81/957661181.db2.gz FETFJZODKVIJCQ-UHFFFAOYSA-N -1 0 328.206 3.587 20 0 EHADRM Cc1cc(C(=O)CSCC(=O)[O-])c(C)n1[C@H](C)c1ccccc1 ZINC001594274495 957709520 /nfs/dbraw/zinc/70/95/20/957709520.db2.gz QOYKYVQASGIGRJ-CYBMUJFWSA-N -1 0 331.437 3.715 20 0 EHADRM Cc1cc(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])nc2ccccc12 ZINC001594277915 957727223 /nfs/dbraw/zinc/72/72/23/957727223.db2.gz PNLUZWZHZGRUMO-OAHLLOKOSA-N -1 0 328.412 3.553 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1ccnc(Oc2ccccc2Cl)c1 ZINC001574770071 957751077 /nfs/dbraw/zinc/75/10/77/957751077.db2.gz AXIGQSBFVDVROK-VXGBXAGGSA-N -1 0 346.770 3.577 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N(CC(F)(F)F)C2CCCC2)c1 ZINC001594282295 957758030 /nfs/dbraw/zinc/75/80/30/957758030.db2.gz QDUMWTREXLKNTJ-UHFFFAOYSA-N -1 0 329.318 3.640 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1c2ccccc2CC[C@H]1Cc1ccccc1 ZINC001574771231 957762860 /nfs/dbraw/zinc/76/28/60/957762860.db2.gz WLSREZICZDAOAS-IPMKNSEASA-N -1 0 349.430 3.688 20 0 EHADRM Cc1[nH]c2ccc(CNC(=O)c3cc(C)cc(C(=O)[O-])c3)cc2c1C ZINC001594284997 957770517 /nfs/dbraw/zinc/77/05/17/957770517.db2.gz DVODBKJCRSEOBZ-UHFFFAOYSA-N -1 0 336.391 3.721 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NC2(Cc3cccc(F)c3)CCC2)c1 ZINC001594286891 957787770 /nfs/dbraw/zinc/78/77/70/957787770.db2.gz QQVORHURJMMZQG-UHFFFAOYSA-N -1 0 341.382 3.728 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CC3(CCCC3)[C@@H]2c2ccccc2)cn1 ZINC001574791307 957814694 /nfs/dbraw/zinc/81/46/94/957814694.db2.gz VTSLIROHBQIVJP-KRWDZBQOSA-N -1 0 336.391 3.537 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)OCc2cnc3c(F)cccc3c2)c1 ZINC001594289711 957817678 /nfs/dbraw/zinc/81/76/78/957817678.db2.gz ZAGRXFRYAAIDJO-UHFFFAOYSA-N -1 0 339.322 3.738 20 0 EHADRM COc1cc(C)c(C)cc1NC(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001594054212 958011052 /nfs/dbraw/zinc/01/10/52/958011052.db2.gz OPAZXFMPCGXSGS-AWEZNQCLSA-N -1 0 336.432 3.571 20 0 EHADRM Cc1cc(NC(=O)N2Cc3ccccc3O[C@@H](C)C2)ccc1C(=O)[O-] ZINC001594319909 958117441 /nfs/dbraw/zinc/11/74/41/958117441.db2.gz SXBBMSHZHFORIR-ZDUSSCGKSA-N -1 0 340.379 3.508 20 0 EHADRM Cc1cc(NC(=O)c2ccc(OCC(=O)[O-])cc2)ccc1C1CC1 ZINC001594325420 958164959 /nfs/dbraw/zinc/16/49/59/958164959.db2.gz AOLHLCNRFXBUMC-UHFFFAOYSA-N -1 0 325.364 3.588 20 0 EHADRM Cc1cc(O[C@@H](C)c2nc(C3(C(=O)[O-])CCC3)no2)ccc1Cl ZINC001594327925 958188681 /nfs/dbraw/zinc/18/86/81/958188681.db2.gz FBASTJGCVHTZAW-JTQLQIEISA-N -1 0 336.775 3.678 20 0 EHADRM Cc1ccccc1N(CCC(=O)[O-])C(=O)c1ccc(F)c(Cl)c1 ZINC000391330194 972329920 /nfs/dbraw/zinc/32/99/20/972329920.db2.gz SNSGWMHXYQIVCT-UHFFFAOYSA-N -1 0 335.762 3.909 20 0 EHADRM Cc1ccc(NC(=O)NCc2ccccc2CC(=O)[O-])cc1Cl ZINC000391354538 972330529 /nfs/dbraw/zinc/33/05/29/972330529.db2.gz LNIFDNGIMOAUPD-UHFFFAOYSA-N -1 0 332.787 3.597 20 0 EHADRM Cc1ccc(-c2cnc(CN[C@@H](C(=O)[O-])c3ccc(F)cc3)o2)cc1 ZINC001594336062 958267019 /nfs/dbraw/zinc/26/70/19/958267019.db2.gz XLTDTKHBIKQRGZ-GOSISDBHSA-N -1 0 340.354 3.705 20 0 EHADRM Cc1ccc(-c2csc(NC(=O)[C@]3(C(=O)[O-])CC3(C)C)n2)cc1 ZINC001594336130 958267833 /nfs/dbraw/zinc/26/78/33/958267833.db2.gz YWZPZABLXFXWOM-KRWDZBQOSA-N -1 0 330.409 3.558 20 0 EHADRM Cc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])C[C@@H](C)O[C@@H]3C)o1 ZINC001594347772 958332115 /nfs/dbraw/zinc/33/21/15/958332115.db2.gz UEBPCTVBBSJZEB-RKDXNWHRSA-N -1 0 335.381 3.622 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC000097045135 958342440 /nfs/dbraw/zinc/34/24/40/958342440.db2.gz ZMKQHAOCSWUPGS-UHOFOFEASA-N -1 0 335.831 3.547 20 0 EHADRM Cc1ccc(C(C)(C)CNC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)cc1 ZINC001594349985 958342594 /nfs/dbraw/zinc/34/25/94/958342594.db2.gz RBFLRZTWBFGCHM-UHFFFAOYSA-N -1 0 331.456 3.526 20 0 EHADRM Cc1ccc([C@@H](NC(=O)[C@@H](C)C(=O)[O-])c2ccc(F)cc2Cl)cc1 ZINC001594351217 958356633 /nfs/dbraw/zinc/35/66/33/958356633.db2.gz WSXSWOQUBXHYQI-BDJLRTHQSA-N -1 0 349.789 3.714 20 0 EHADRM Cc1ccc([C@@H](NC(=O)[C@H](C)C(=O)[O-])c2ccc(F)cc2Cl)cc1 ZINC001594351227 958356882 /nfs/dbraw/zinc/35/68/82/958356882.db2.gz WSXSWOQUBXHYQI-MEDUHNTESA-N -1 0 349.789 3.714 20 0 EHADRM Cc1ccc(CC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc1Cl ZINC001594353255 958379675 /nfs/dbraw/zinc/37/96/75/958379675.db2.gz ANKSYQKONBBVEC-AWEZNQCLSA-N -1 0 325.836 3.587 20 0 EHADRM Cc1ccc(CCC(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)s1 ZINC001594355361 958411160 /nfs/dbraw/zinc/41/11/60/958411160.db2.gz JKAGFSRBBWDYJW-HNNXBMFYSA-N -1 0 329.421 3.594 20 0 EHADRM N#Cc1ccc(Br)cc1NC[C@H](C(=O)[O-])c1ccccc1 ZINC000122929504 958490991 /nfs/dbraw/zinc/49/09/91/958490991.db2.gz YABXQHKDWRRFEU-AWEZNQCLSA-N -1 0 345.196 3.601 20 0 EHADRM Cc1ccc(N(C)Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)cc1 ZINC001594367115 958498510 /nfs/dbraw/zinc/49/85/10/958498510.db2.gz MXHYZHXCFIRYTL-HNNXBMFYSA-N -1 0 328.412 3.525 20 0 EHADRM Cc1ccc(NC(=O)CCCCC(=O)[O-])c(-c2nc(C3CC3)no2)c1 ZINC001594369142 958527960 /nfs/dbraw/zinc/52/79/60/958527960.db2.gz WBEKWXSIWOIOMW-UHFFFAOYSA-N -1 0 343.383 3.506 20 0 EHADRM C/C(=C(\F)C(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21)C1CC1 ZINC001573340718 958540940 /nfs/dbraw/zinc/54/09/40/958540940.db2.gz YGPICLAYWQEVOK-HTMJNSLASA-N -1 0 331.387 3.710 20 0 EHADRM C/C(=C\c1ccccc1)CN(C)C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001588489245 958643428 /nfs/dbraw/zinc/64/34/28/958643428.db2.gz ZEXHLUMGYMGIGM-ANVLWLQNSA-N -1 0 325.364 3.553 20 0 EHADRM CC(C)(C)C(C)(C)CNC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000391752009 972365970 /nfs/dbraw/zinc/36/59/70/972365970.db2.gz QGVYKPWZCYEGLD-CYBMUJFWSA-N -1 0 326.481 3.591 20 0 EHADRM COc1cccc(NCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)c1C ZINC001594131558 958676962 /nfs/dbraw/zinc/67/69/62/958676962.db2.gz BXLOGRNPZUPBTH-AWEZNQCLSA-N -1 0 344.411 3.510 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1ccc(C(F)(F)F)nc1C ZINC001594390756 958715064 /nfs/dbraw/zinc/71/50/64/958715064.db2.gz BDZUXEZMVVZYRA-UHFFFAOYSA-N -1 0 338.285 3.668 20 0 EHADRM Cc1cccc(NC(=O)CC(C)(C)CC(=O)[O-])c1Br ZINC000131142368 958743304 /nfs/dbraw/zinc/74/33/04/958743304.db2.gz ULNPUTQQKGMAJV-UHFFFAOYSA-N -1 0 328.206 3.587 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2cc3c(s2)CC[C@H](C)C3)C(=O)[O-])c1 ZINC001594392783 958745295 /nfs/dbraw/zinc/74/52/95/958745295.db2.gz KEFZMNBUMZBTHE-YVEFUNNKSA-N -1 0 343.448 3.737 20 0 EHADRM Cc1ccc(NC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1C(F)(F)F ZINC000263064020 1125468748 /nfs/dbraw/zinc/46/87/48/1125468748.db2.gz FWDQCNNHCNBSLS-MWLCHTKSSA-N -1 0 344.333 3.588 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2cc(C3CC3)[nH]c2C2CC2)C(=O)[O-])c1 ZINC001594393015 958748954 /nfs/dbraw/zinc/74/89/54/958748954.db2.gz LBIDIMCERQEENW-SFHVURJKSA-N -1 0 338.407 3.634 20 0 EHADRM CN(C(=O)Nc1ccc(Br)c(C(=O)[O-])c1)c1ccccc1 ZINC000132483238 958785794 /nfs/dbraw/zinc/78/57/94/958785794.db2.gz FNUUMYTUEGIUSY-UHFFFAOYSA-N -1 0 349.184 3.816 20 0 EHADRM Cc1ccccc1N(CCC(=O)[O-])C(=O)CCCc1ccccc1 ZINC000391820172 972379345 /nfs/dbraw/zinc/37/93/45/972379345.db2.gz SKBDOLFPUZUGON-UHFFFAOYSA-N -1 0 325.408 3.826 20 0 EHADRM CC(=O)c1c(C)cc(NC(=O)NCc2cccc(C(=O)[O-])c2)cc1C ZINC001588526851 958864513 /nfs/dbraw/zinc/86/45/13/958864513.db2.gz GAUTTWFVLROZDT-UHFFFAOYSA-N -1 0 340.379 3.526 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN1Cc1ccc(Cl)c(Br)c1 ZINC000137277057 958921241 /nfs/dbraw/zinc/92/12/41/958921241.db2.gz SHPPJGANQGSYFT-ZDUSSCGKSA-N -1 0 332.625 3.542 20 0 EHADRM CC(C)(C)c1ccc([C@H](O)CCC(=O)NCCCCCC(=O)[O-])cc1 ZINC001573463091 958926766 /nfs/dbraw/zinc/92/67/66/958926766.db2.gz YTMPENMWHOJXFU-QGZVFWFLSA-N -1 0 349.471 3.559 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(c2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000391920740 972390101 /nfs/dbraw/zinc/39/01/01/972390101.db2.gz BOVRHUXOJIGUMO-SNVBAGLBSA-N -1 0 328.315 3.614 20 0 EHADRM Cc1ccccc1-c1cnc(NC(=O)NC[C@H](C(=O)[O-])C(C)C)s1 ZINC001594414194 958987041 /nfs/dbraw/zinc/98/70/41/958987041.db2.gz WFTXUFLKYVUOHQ-ZDUSSCGKSA-N -1 0 347.440 3.597 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1cccc(OCc2ccccc2)c1 ZINC001573489493 958999959 /nfs/dbraw/zinc/99/99/59/958999959.db2.gz FXDBUHRQSIRUBK-KRWDZBQOSA-N -1 0 327.380 3.561 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)Nc1cncc(C(=O)[O-])c1)C(C)C ZINC001594416014 959004039 /nfs/dbraw/zinc/00/40/39/959004039.db2.gz WONHMHCRFYSGBO-MRXNPFEDSA-N -1 0 327.384 3.607 20 0 EHADRM C[C@@H](C(=O)N1CCC[C@H](CC(=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC001588548530 959007000 /nfs/dbraw/zinc/00/70/00/959007000.db2.gz PRWMBIXNMNOYMY-VXGBXAGGSA-N -1 0 343.345 3.522 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1nc(-c2c[nH]c3ccccc32)cs1 ZINC001573490320 959019189 /nfs/dbraw/zinc/01/91/89/959019189.db2.gz SVDJAMTZFQEKCV-CQSZACIVSA-N -1 0 343.408 3.587 20 0 EHADRM CC(C)[C@H](CNC(=O)N(C)[C@H]1CCCC[C@H]1c1ccccc1)C(=O)[O-] ZINC001573492865 959032840 /nfs/dbraw/zinc/03/28/40/959032840.db2.gz WHOMPUXGNABFOK-BZSNNMDCSA-N -1 0 346.471 3.711 20 0 EHADRM Cc1ccccc1Oc1ccccc1CNC(=O)[C@]1(C(=O)[O-])C[C@H]1C ZINC001594419087 959043404 /nfs/dbraw/zinc/04/34/04/959043404.db2.gz ZVDZMYXAGFMPLH-VLIAUNLRSA-N -1 0 339.391 3.514 20 0 EHADRM Cc1ccccc1OCCCC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001594419941 959046926 /nfs/dbraw/zinc/04/69/26/959046926.db2.gz MBYGQXURUAYSJZ-OAHLLOKOSA-N -1 0 335.444 3.550 20 0 EHADRM CC(C)CC[C@@H]1CCCCN1C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC001573516744 959102667 /nfs/dbraw/zinc/10/26/67/959102667.db2.gz GOYLVNRDHDJDQL-CVEARBPZSA-N -1 0 326.481 3.734 20 0 EHADRM CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC001573539538 959186023 /nfs/dbraw/zinc/18/60/23/959186023.db2.gz QKCVMSPIZXLXFI-NSHDSACASA-N -1 0 337.725 3.588 20 0 EHADRM CC(C)c1ccc(CCCNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)cc1 ZINC001573566591 959290540 /nfs/dbraw/zinc/29/05/40/959290540.db2.gz KPTLSXQRWYNJGL-HXUWFJFHSA-N -1 0 329.440 3.670 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](c2nc(C3(c4ccccc4)CCC3)no2)C1 ZINC000392218806 972429382 /nfs/dbraw/zinc/42/93/82/972429382.db2.gz JFATUABVNPRYFC-UONOGXRCSA-N -1 0 326.396 3.898 20 0 EHADRM O=C([O-])c1coc(C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)c1 ZINC000183785724 959449830 /nfs/dbraw/zinc/44/98/30/959449830.db2.gz NYKDRRFDFKYXOC-INIZCTEOSA-N -1 0 338.363 3.827 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(C(=O)c1cc(C(=O)[O-])co1)C1CC1 ZINC000183806424 959452447 /nfs/dbraw/zinc/45/24/47/959452447.db2.gz IYWURXVLRVXIHT-JTQLQIEISA-N -1 0 333.771 3.997 20 0 EHADRM Cc1cc(C)c(OCC(=O)Nc2cccc(C(=O)[O-])c2C)c(C)c1 ZINC000392228670 972430143 /nfs/dbraw/zinc/43/01/43/972430143.db2.gz VPIRBZSSMYYRQD-UHFFFAOYSA-N -1 0 327.380 3.636 20 0 EHADRM Cc1nc2ccc(NC(=O)/C=C\c3ccc(C(=O)[O-])o3)cc2s1 ZINC001594464248 959492997 /nfs/dbraw/zinc/49/29/97/959492997.db2.gz ONSPWBKGWNUGRV-DAXSKMNVSA-N -1 0 328.349 3.548 20 0 EHADRM CCN(CC(=O)[O-])C(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000190788757 959521774 /nfs/dbraw/zinc/52/17/74/959521774.db2.gz IIONSCVQNFWMAM-UHFFFAOYSA-N -1 0 340.404 3.510 20 0 EHADRM O=C([O-])[C@H]1Cc2ccccc2N(C(=O)c2cc3c(s2)CCCC3)C1 ZINC000392267283 972436027 /nfs/dbraw/zinc/43/60/27/972436027.db2.gz INYXFLNTJYYHEA-AWEZNQCLSA-N -1 0 341.432 3.531 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1)C(=O)[O-] ZINC000191426115 959565410 /nfs/dbraw/zinc/56/54/10/959565410.db2.gz AHQSGFDEVKULLX-NSHDSACASA-N -1 0 349.789 3.924 20 0 EHADRM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000191448081 959569567 /nfs/dbraw/zinc/56/95/67/959569567.db2.gz LPAOGNSHQKLAQC-RYUDHWBXSA-N -1 0 344.411 3.687 20 0 EHADRM C[C@H](OC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1ccc(F)c(C(F)(F)F)c1 ZINC001573634223 959580320 /nfs/dbraw/zinc/58/03/20/959580320.db2.gz GPRDIHMZKBVYEJ-SFGNSQDASA-N -1 0 334.265 3.560 20 0 EHADRM C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1)c1ccccc1 ZINC000192920234 959596793 /nfs/dbraw/zinc/59/67/93/959596793.db2.gz LLEFGDHVFXDHLD-AUUYWEPGSA-N -1 0 333.387 3.885 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cnc2onc(C(C)C)c2c1 ZINC000193242369 959617512 /nfs/dbraw/zinc/61/75/12/959617512.db2.gz KWJQFJHKJZFVNZ-UHFFFAOYSA-N -1 0 339.351 3.605 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC001573655879 959669120 /nfs/dbraw/zinc/66/91/20/959669120.db2.gz LSQUIKDJUBSYHJ-JKSUJKDBSA-N -1 0 343.467 3.651 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1nc2ccc3scnc3c2s1 ZINC001588640720 959688345 /nfs/dbraw/zinc/68/83/45/959688345.db2.gz MCVPUDDGUZZJTP-VIFPVBQESA-N -1 0 349.437 3.591 20 0 EHADRM CC1(c2ccccc2C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)CC1 ZINC001573689534 959759024 /nfs/dbraw/zinc/75/90/24/959759024.db2.gz OUGIEBRDBKQPDF-KRWDZBQOSA-N -1 0 335.403 3.562 20 0 EHADRM C[C@H]1C[C@@H](CCNC(=O)c2ccc(OCC(=O)[O-])cc2)CC(C)(C)C1 ZINC001573701319 959834718 /nfs/dbraw/zinc/83/47/18/959834718.db2.gz NFDPGZYMUUWJEI-LSDHHAIUSA-N -1 0 347.455 3.732 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc(Cl)sc1Cl ZINC000223852216 959843176 /nfs/dbraw/zinc/84/31/76/959843176.db2.gz VOXCTUFMLKPZLD-HGNGGELXSA-N -1 0 348.251 3.913 20 0 EHADRM C[C@@H]1CCCN(C(=O)C(c2ccccc2)c2ccccc2)[C@H]1C(=O)[O-] ZINC001573723801 959888942 /nfs/dbraw/zinc/88/89/42/959888942.db2.gz WGNWBXSRJBTSJK-DNVCBOLYSA-N -1 0 337.419 3.530 20 0 EHADRM CN(C)c1ccccc1NCc1ccc(C(=O)[O-])cc1Br ZINC000234265544 960347076 /nfs/dbraw/zinc/34/70/76/960347076.db2.gz UEFIFQZSEGBIQK-UHFFFAOYSA-N -1 0 349.228 3.825 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2cccc3c2CCCC3)CCCCC1 ZINC000392594135 972500447 /nfs/dbraw/zinc/50/04/47/972500447.db2.gz MLXQXSXSYSDZHB-UHFFFAOYSA-N -1 0 330.428 3.865 20 0 EHADRM COc1cccc(C(C)(C)CNC(=O)C2(C(=O)[O-])CCCCCC2)c1 ZINC001574233403 960426061 /nfs/dbraw/zinc/42/60/61/960426061.db2.gz MBWQIBKWJNYNTF-UHFFFAOYSA-N -1 0 347.455 3.514 20 0 EHADRM C[C@H](CC(=O)N1CCCC[C@@H]1c1ccc(C(=O)[O-])n1C)c1ccco1 ZINC001123398085 960481684 /nfs/dbraw/zinc/48/16/84/960481684.db2.gz KBSXFNCUECMNLN-UKRRQHHQSA-N -1 0 344.411 3.564 20 0 EHADRM COc1cc(NC(=O)N(C)C2CCC(C)(C)CC2)ccc1C(=O)[O-] ZINC000392657040 972506263 /nfs/dbraw/zinc/50/62/63/972506263.db2.gz RWIQTMZGDPMPPP-UHFFFAOYSA-N -1 0 334.416 3.826 20 0 EHADRM C[C@@H](SCC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC001603280849 972508941 /nfs/dbraw/zinc/50/89/41/972508941.db2.gz ACAMWJUJLNLUQF-GFCCVEGCSA-N -1 0 331.393 3.624 20 0 EHADRM CSc1cccc(F)c1CNC(=O)Nc1ccccc1C(=O)[O-] ZINC001574257438 960543645 /nfs/dbraw/zinc/54/36/45/960543645.db2.gz KMUSQRUBWKNVBT-UHFFFAOYSA-N -1 0 334.372 3.568 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OCc1nc2ccccc2s1 ZINC000392705942 972511958 /nfs/dbraw/zinc/51/19/58/972511958.db2.gz WWHOVUHYKFWNMQ-CLFYSBASSA-N -1 0 341.388 3.982 20 0 EHADRM CSc1cccc(F)c1C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001574257659 960547014 /nfs/dbraw/zinc/54/70/14/960547014.db2.gz NHXVCFJWSYJFDW-OCCSQVGLSA-N -1 0 345.395 3.591 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(F)cc2C(C)(F)F)CC[C@@H]1C(=O)[O-] ZINC001573750126 960552152 /nfs/dbraw/zinc/55/21/52/960552152.db2.gz VJRRSVQYZKCLFY-KOLCDFICSA-N -1 0 344.333 3.512 20 0 EHADRM Cc1ccc2c(CC(=O)N(C)C3(C(=O)[O-])CCCCC3)coc2c1 ZINC000392775274 972520556 /nfs/dbraw/zinc/52/05/56/972520556.db2.gz YXIJAUXMVQQAOC-UHFFFAOYSA-N -1 0 329.396 3.530 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)c2cc(Cl)ncc2Cl)c1 ZINC000236487475 960677596 /nfs/dbraw/zinc/67/75/96/960677596.db2.gz XMXXLNJDKJZRCA-UHFFFAOYSA-N -1 0 345.569 3.992 20 0 EHADRM CC[C@H](C)Cc1c(C)sc2[nH]c(S[C@@H](C)C(=O)[O-])nc(=O)c12 ZINC001573776926 960698584 /nfs/dbraw/zinc/69/85/84/960698584.db2.gz SBFODLRDZVQIBK-CBAPKCEASA-N -1 0 340.470 3.859 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)NC(C)(C)c1cccc(Cl)c1F ZINC001573777767 960704864 /nfs/dbraw/zinc/70/48/64/960704864.db2.gz DGHTUKJJCFSHSW-UHFFFAOYSA-N -1 0 329.799 3.721 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000236609620 960714950 /nfs/dbraw/zinc/71/49/50/960714950.db2.gz FHARJDSUPZPQJT-KURKYZTESA-N -1 0 325.408 3.559 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000236674336 960729162 /nfs/dbraw/zinc/72/91/62/960729162.db2.gz IQXMGSUVKMECSV-ZWKOTPCHSA-N -1 0 325.408 3.513 20 0 EHADRM Cc1ccc(NC(=O)c2cccc(OCC(C)C)c2)cc1C(=O)[O-] ZINC000236697507 960733069 /nfs/dbraw/zinc/73/30/69/960733069.db2.gz KZFXVPKAYXZTJW-UHFFFAOYSA-N -1 0 327.380 3.980 20 0 EHADRM Cc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)c(C)n1C(C)C ZINC000236709680 960737660 /nfs/dbraw/zinc/73/76/60/960737660.db2.gz LKGCTSOPJJBPDN-QGZVFWFLSA-N -1 0 346.402 3.771 20 0 EHADRM CCCN(C(=O)c1ccc(C(=O)[O-])o1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000236755027 960750477 /nfs/dbraw/zinc/75/04/77/960750477.db2.gz YPACNBNNCWKTEP-HOTGVXAUSA-N -1 0 349.427 3.568 20 0 EHADRM CCC[C@](C)(NC(=O)CCCCc1nc2ccccc2s1)C(=O)[O-] ZINC000236797845 960761188 /nfs/dbraw/zinc/76/11/88/960761188.db2.gz QVXFCBGFNWICMK-SFHVURJKSA-N -1 0 348.468 3.769 20 0 EHADRM CCN(CC)C(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000236807834 960762817 /nfs/dbraw/zinc/76/28/17/960762817.db2.gz BLJWGJQARJOFAT-UHFFFAOYSA-N -1 0 333.409 3.752 20 0 EHADRM CC[C@H](CC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccc(C)cc1 ZINC000236923787 960799911 /nfs/dbraw/zinc/79/99/11/960799911.db2.gz NOEMKRZZHHKOCS-IAGOWNOFSA-N -1 0 331.456 3.982 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000237067888 960862791 /nfs/dbraw/zinc/86/27/91/960862791.db2.gz HFDSOZSUQIECQP-GFCCVEGCSA-N -1 0 346.814 3.727 20 0 EHADRM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC001573809096 960867983 /nfs/dbraw/zinc/86/79/83/960867983.db2.gz JMTWFZMCMBLHPF-UONOGXRCSA-N -1 0 325.836 3.524 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001573812882 960911112 /nfs/dbraw/zinc/91/11/12/960911112.db2.gz HSPMXQDIUBVWSR-TWMKSMIVSA-N -1 0 339.476 3.606 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)NC[C@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000237351102 960914799 /nfs/dbraw/zinc/91/47/99/960914799.db2.gz ZDKARIPMKYFBDK-MCIONIFRSA-N -1 0 335.469 3.808 20 0 EHADRM COc1cccc2cc(C(=O)Nc3cc(C(=O)[O-])ccc3F)oc21 ZINC000237355116 960918366 /nfs/dbraw/zinc/91/83/66/960918366.db2.gz REWAZOUDJATULW-UHFFFAOYSA-N -1 0 329.283 3.531 20 0 EHADRM O=C([O-])CC1(CC(=O)NCc2cccc(Cl)c2F)CCCC1 ZINC001319153983 960924164 /nfs/dbraw/zinc/92/41/64/960924164.db2.gz XELWHFKNBUDERD-UHFFFAOYSA-N -1 0 327.783 3.521 20 0 EHADRM C/C(=C/C(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-])c1ccccc1 ZINC000237404024 960927327 /nfs/dbraw/zinc/92/73/27/960927327.db2.gz WYBXZRNFZZXDSP-VZVUQDNOSA-N -1 0 337.419 3.839 20 0 EHADRM Cc1ccc(CCC(=O)N[C@H](CC(=O)[O-])c2ccc(C)cc2)cc1 ZINC001319223586 960929964 /nfs/dbraw/zinc/92/99/64/960929964.db2.gz AZGAKXGFGKXMLU-GOSISDBHSA-N -1 0 325.408 3.568 20 0 EHADRM C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc(C(=O)[O-])s1 ZINC000237414971 960931360 /nfs/dbraw/zinc/93/13/60/960931360.db2.gz HDFZQVKSIZMYLQ-MRVPVSSYSA-N -1 0 325.336 3.558 20 0 EHADRM Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000237423606 960931764 /nfs/dbraw/zinc/93/17/64/960931764.db2.gz ZDNJHPGSIFKWSX-LBPRGKRZSA-N -1 0 346.452 3.528 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(C(=O)[O-])o1)C1CC1 ZINC000237435564 960934450 /nfs/dbraw/zinc/93/44/50/960934450.db2.gz OODCDXJQHIDPPT-SNVBAGLBSA-N -1 0 333.771 3.997 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)NCCCCCCC(=O)[O-])ccc1Cl ZINC000237455966 960936685 /nfs/dbraw/zinc/93/66/85/960936685.db2.gz NTESXSZPWGREEV-CYBMUJFWSA-N -1 0 341.835 3.567 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)[O-] ZINC000237562855 960961993 /nfs/dbraw/zinc/96/19/93/960961993.db2.gz VHIAZRGQENXGEX-MAZHCROVSA-N -1 0 341.432 3.538 20 0 EHADRM Cc1cc(C(=O)NCCCCCCC(=O)[O-])cc(C)c1OC(F)F ZINC000237586557 960967432 /nfs/dbraw/zinc/96/74/32/960967432.db2.gz YOIOBFIWFFHXJB-UHFFFAOYSA-N -1 0 343.370 3.670 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000237597266 960969608 /nfs/dbraw/zinc/96/96/08/960969608.db2.gz UKXMBVINNKXKAS-QMMMGPOBSA-N -1 0 339.178 3.578 20 0 EHADRM Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000237597287 960969881 /nfs/dbraw/zinc/96/98/81/960969881.db2.gz VGVRXZCCDZJWOU-UHFFFAOYSA-N -1 0 348.443 3.809 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)OCc3ccc(C(=O)[O-])cc3)cc2)nn1 ZINC001574348002 960973624 /nfs/dbraw/zinc/97/36/24/960973624.db2.gz PHCKFRJYHVTACW-UHFFFAOYSA-N -1 0 348.358 3.507 20 0 EHADRM Cc1sc(C(=O)NCCCCC(=O)[O-])cc1-c1ccc(F)cc1 ZINC000237696023 960999915 /nfs/dbraw/zinc/99/99/15/960999915.db2.gz RJCIUXBTMCLNOS-UHFFFAOYSA-N -1 0 335.400 3.847 20 0 EHADRM CC[C@@H]1CCCC[C@H]1C(=O)Nc1sc2c(c1C(=O)[O-])COCC2 ZINC001573829579 961000971 /nfs/dbraw/zinc/00/09/71/961000971.db2.gz BOWPIAISOWYUSR-GHMZBOCLSA-N -1 0 337.441 3.674 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)cc1C(=O)[O-] ZINC000237705503 961003435 /nfs/dbraw/zinc/00/34/35/961003435.db2.gz NBWOOJCIXDWYKX-ZFWWWQNUSA-N -1 0 331.318 3.714 20 0 EHADRM COc1ccc2cc(C(=O)N[C@]3(C)CCCC[C@@H]3C(=O)[O-])ccc2c1 ZINC001321953638 961004993 /nfs/dbraw/zinc/00/49/93/961004993.db2.gz GDQQRDUHDKOULT-YLJYHZDGSA-N -1 0 341.407 3.612 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)Nc1cccnc1C(=O)[O-] ZINC001574356897 961005494 /nfs/dbraw/zinc/00/54/94/961005494.db2.gz INCBQLXLXKLIDV-ZDUSSCGKSA-N -1 0 342.395 3.618 20 0 EHADRM Cc1sc(-c2ccco2)nc1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000237719570 961006621 /nfs/dbraw/zinc/00/66/21/961006621.db2.gz AXVSQWKCNUHHJU-UHFFFAOYSA-N -1 0 342.376 3.591 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1csc2c1CCCC2)c1ccccc1 ZINC000237764414 961018136 /nfs/dbraw/zinc/01/81/36/961018136.db2.gz DWCKLTSNMXVRRO-PXAZEXFGSA-N -1 0 343.448 3.819 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000237789500 961023903 /nfs/dbraw/zinc/02/39/03/961023903.db2.gz SWXNVENRGAIQHU-CABCVRRESA-N -1 0 345.420 3.652 20 0 EHADRM Cc1ccc(CNC(=O)[C@@H](C(=O)[O-])C2CC2)c(O[C@H](C)CC(C)C)c1 ZINC001574366452 961038858 /nfs/dbraw/zinc/03/88/58/961038858.db2.gz GOPZVLBGTDBXDP-KDOFPFPSSA-N -1 0 347.455 3.535 20 0 EHADRM CCC[C@@H](CCc1ccccc1)NC(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001573835917 961051033 /nfs/dbraw/zinc/05/10/33/961051033.db2.gz KLDATWOZDGLSPP-HNNXBMFYSA-N -1 0 341.411 3.703 20 0 EHADRM Cc1ccc(N(CC(C)C)C(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)c(C)c1 ZINC001574369479 961068679 /nfs/dbraw/zinc/06/86/79/961068679.db2.gz XZNJBABOFCLLAZ-DLBZAZTESA-N -1 0 347.455 3.562 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc3[nH]c(-c4ccco4)nc3c2)cc1 ZINC000238026390 961080373 /nfs/dbraw/zinc/08/03/73/961080373.db2.gz YOMXNGYUZJVWKU-UHFFFAOYSA-N -1 0 347.330 3.773 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)o1 ZINC000238028619 961082142 /nfs/dbraw/zinc/08/21/42/961082142.db2.gz YSMHEIOQJUWLIP-INIZCTEOSA-N -1 0 335.359 3.692 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2OCC(F)(F)F)s1 ZINC000238060566 961089905 /nfs/dbraw/zinc/08/99/05/961089905.db2.gz FQTPGXRVVQTZMK-UHFFFAOYSA-N -1 0 345.298 3.640 20 0 EHADRM O=C([O-])CCCCCCNC(=O)C1(c2ccc(F)cc2)CCCC1 ZINC000238113122 961103120 /nfs/dbraw/zinc/10/31/20/961103120.db2.gz GFHXGQLWRCKAEQ-UHFFFAOYSA-N -1 0 335.419 3.789 20 0 EHADRM CCCCc1nnc(NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)s1 ZINC001573848936 961117342 /nfs/dbraw/zinc/11/73/42/961117342.db2.gz VTQBJFWFWZEUKZ-UHFFFAOYSA-N -1 0 334.401 3.531 20 0 EHADRM O=C([O-])CN(Cc1ccccc1)C(=O)c1cc2cc(Cl)ccc2o1 ZINC000238151681 961131191 /nfs/dbraw/zinc/13/11/91/961131191.db2.gz JVWGLJIIPSUPSE-UHFFFAOYSA-N -1 0 343.766 3.813 20 0 EHADRM CCCN(CCC)c1ccc(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001573855100 961146365 /nfs/dbraw/zinc/14/63/65/961146365.db2.gz WTOVVDMLFHGMOT-ZBFHGGJFSA-N -1 0 347.459 3.688 20 0 EHADRM O=C([O-])CCNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000238185218 961150315 /nfs/dbraw/zinc/15/03/15/961150315.db2.gz DMLUCPMJTHRBMB-UHFFFAOYSA-N -1 0 349.839 3.837 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)c2ccc3ccccc3c2)cc1 ZINC000238209424 961161622 /nfs/dbraw/zinc/16/16/22/961161622.db2.gz AOEPUGYTRAKHAT-UHFFFAOYSA-N -1 0 335.359 3.946 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2cccc(COCC3CC3)c2)c1 ZINC000238213173 961163851 /nfs/dbraw/zinc/16/38/51/961163851.db2.gz WYLVNHGJWDWPSR-UHFFFAOYSA-N -1 0 325.364 3.564 20 0 EHADRM Cc1cccc([C@H](NC(=O)CSc2cc(C)ccc2C)C(=O)[O-])c1 ZINC001574390108 961167367 /nfs/dbraw/zinc/16/73/67/961167367.db2.gz RBCWNKQDPADDSH-SFHVURJKSA-N -1 0 343.448 3.646 20 0 EHADRM Cc1cccc([C@H](NC(=O)[C@@H](C)c2ccc(Cl)cc2)C(=O)[O-])c1 ZINC001574390583 961172262 /nfs/dbraw/zinc/17/22/62/961172262.db2.gz YZSWBWLILHOUNO-LRDDRELGSA-N -1 0 331.799 3.694 20 0 EHADRM Cc1cccc(CSCC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC001574398761 961227723 /nfs/dbraw/zinc/22/77/23/961227723.db2.gz UYONRFSLDMHOID-OAHLLOKOSA-N -1 0 337.485 3.624 20 0 EHADRM CC(C)(CCNC(=O)[C@@H](OCC1CCCC1)c1ccccc1)C(=O)[O-] ZINC001588767466 961248505 /nfs/dbraw/zinc/24/85/05/961248505.db2.gz HERPKRWFHTZYCZ-KRWDZBQOSA-N -1 0 347.455 3.552 20 0 EHADRM Cc1csc(-c2ccc(NC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)cc2)n1 ZINC001574412345 961298299 /nfs/dbraw/zinc/29/82/99/961298299.db2.gz FLYZNEKOQVWUTH-QWHCGFSZSA-N -1 0 330.409 3.558 20 0 EHADRM Cc1ccc(NC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c(Cl)c1Cl ZINC001329685829 961298595 /nfs/dbraw/zinc/29/85/95/961298595.db2.gz LBLFMURKDHUFLQ-VHSXEESVSA-N -1 0 345.226 3.876 20 0 EHADRM Cc1coc(C(=O)Nc2sc3c(c2C(=O)[O-])C[C@H](C)O[C@@H]3C)c1 ZINC001574412753 961303892 /nfs/dbraw/zinc/30/38/92/961303892.db2.gz UJDCTTODBSGIJQ-DTWKUNHWSA-N -1 0 335.381 3.622 20 0 EHADRM CC(C)(Cc1ccc(Cl)cc1)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001588786279 961345553 /nfs/dbraw/zinc/34/55/53/961345553.db2.gz OENYYPLSRYOFFD-AWEZNQCLSA-N -1 0 337.847 3.622 20 0 EHADRM Cc1nc2cccc(Cl)c2cc1C(=O)N1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC001574426855 961369946 /nfs/dbraw/zinc/36/99/46/961369946.db2.gz OWRBGJKPEQBQFR-QLJPJBMISA-N -1 0 346.814 3.522 20 0 EHADRM CC(C)([NH2+]Cc1coc(-c2cc(Cl)cc(Cl)c2)n1)C(=O)[O-] ZINC001588795167 961379710 /nfs/dbraw/zinc/37/97/10/961379710.db2.gz XXCCEVIHAGUROD-UHFFFAOYSA-N -1 0 329.183 3.601 20 0 EHADRM Cc1ccc(OCCC(=O)Nc2cc(C(=O)[O-])ccc2C)c(C)c1 ZINC000261854621 961395624 /nfs/dbraw/zinc/39/56/24/961395624.db2.gz JVFDFOXOTCOQLF-UHFFFAOYSA-N -1 0 327.380 3.718 20 0 EHADRM Cc1nc2sc3c(c2c(N2CCC(C(=O)[O-])CC2)n1)CCCCC3 ZINC000261969877 961402183 /nfs/dbraw/zinc/40/21/83/961402183.db2.gz UHGBXNDJSSPMCI-UHFFFAOYSA-N -1 0 345.468 3.570 20 0 EHADRM C[C@H]1CN(C(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)CC[C@H]1C(=O)[O-] ZINC001331923973 961410944 /nfs/dbraw/zinc/41/09/44/961410944.db2.gz FMWICJDEDSCZDK-WMLDXEAASA-N -1 0 343.467 3.585 20 0 EHADRM C[C@@H](NC(=O)CCc1ccccc1C(=O)[O-])[C@H](C)c1ccccc1 ZINC000262071131 961431962 /nfs/dbraw/zinc/43/19/62/961431962.db2.gz CXOSBCNUPSISIC-LSDHHAIUSA-N -1 0 325.408 3.626 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)NCC1(c2cccc(F)c2)CCCCC1 ZINC001588804941 961472426 /nfs/dbraw/zinc/47/24/26/961472426.db2.gz NRJHOKFOXIAICH-MRXNPFEDSA-N -1 0 335.419 3.501 20 0 EHADRM CCO[C@@H](CC)C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](CC)C2 ZINC001573909036 961473773 /nfs/dbraw/zinc/47/37/73/961473773.db2.gz WUEMHLZSHRRDOU-JQWIXIFHSA-N -1 0 339.457 3.715 20 0 EHADRM CCC[C@H](C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000262171628 961521154 /nfs/dbraw/zinc/52/11/54/961521154.db2.gz PAPAYWKPYAKHAG-RBUKOAKNSA-N -1 0 337.419 3.781 20 0 EHADRM CC(C)(Oc1ccccc1)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC001332189564 961524483 /nfs/dbraw/zinc/52/44/83/961524483.db2.gz MCVFLVYZFDVBQL-UHFFFAOYSA-N -1 0 346.408 3.515 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001588812753 961533262 /nfs/dbraw/zinc/53/32/62/961533262.db2.gz PLSZBZDOZAAQLK-IBGZPJMESA-N -1 0 326.396 3.623 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)Cc2ccccc21 ZINC000262196278 961542381 /nfs/dbraw/zinc/54/23/81/961542381.db2.gz KBLLDIYKDULTKA-WFXMFSGNSA-N -1 0 341.451 3.804 20 0 EHADRM CCSc1ccccc1CC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC001573932119 961584682 /nfs/dbraw/zinc/58/46/82/961584682.db2.gz NKBSFHCLTZHJIQ-OAHLLOKOSA-N -1 0 335.469 3.587 20 0 EHADRM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC000262383080 961685018 /nfs/dbraw/zinc/68/50/18/961685018.db2.gz LSLLTMYKQCDYJH-FZMZJTMJSA-N -1 0 345.345 3.681 20 0 EHADRM CC[C@@](C)(NC(=O)c1ccc(CSc2ccccc2)cc1)C(=O)[O-] ZINC000262396188 961694609 /nfs/dbraw/zinc/69/46/09/961694609.db2.gz JGRWHANWXWJKNW-LJQANCHMSA-N -1 0 343.448 3.962 20 0 EHADRM CO[C@](C)(C(=O)Nc1cc(C(=O)[O-])c(C)cc1C)c1ccccc1 ZINC000262487726 961747210 /nfs/dbraw/zinc/74/72/10/961747210.db2.gz ISKAUGSBAPTVMX-IBGZPJMESA-N -1 0 327.380 3.502 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)[C@H]1C(C)C ZINC001588840465 961789061 /nfs/dbraw/zinc/78/90/61/961789061.db2.gz HQDNKZUCICQTPE-FJIDUMEYSA-N -1 0 344.455 3.622 20 0 EHADRM Cc1noc(C)c1[C@H](C)CC(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000262666457 961800811 /nfs/dbraw/zinc/80/08/11/961800811.db2.gz ADRYNPQNCXUUPT-LLVKDONJSA-N -1 0 330.384 3.739 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)/C=C/Sc2cc(F)ccc2F)cc1 ZINC001574512190 961805550 /nfs/dbraw/zinc/80/55/50/961805550.db2.gz IHZWRYDGLVKYJC-BQYQJAHWSA-N -1 0 349.358 3.585 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)c2)oc1C ZINC000262708901 961817202 /nfs/dbraw/zinc/81/72/02/961817202.db2.gz KTDOUOFKWFMXQC-HDJSIYSDSA-N -1 0 342.395 3.788 20 0 EHADRM Cc1cc(Br)ccc1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262722230 961826923 /nfs/dbraw/zinc/82/69/23/961826923.db2.gz QHJFWRMEUBEZFG-XYPYZODXSA-N -1 0 340.217 3.587 20 0 EHADRM CC[C@H](C)CC(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000262744791 961844122 /nfs/dbraw/zinc/84/41/22/961844122.db2.gz AKEBNVAQHUNBRB-GXFFZTMASA-N -1 0 342.233 3.517 20 0 EHADRM CC[C@@H](C)Oc1ccc(NC(=O)c2cccc(OCC(=O)[O-])c2)cc1 ZINC000262748471 961845524 /nfs/dbraw/zinc/84/55/24/961845524.db2.gz MINCEESQEUTATM-CYBMUJFWSA-N -1 0 343.379 3.580 20 0 EHADRM CC(C)c1ocnc1CN[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001334885818 961851665 /nfs/dbraw/zinc/85/16/65/961851665.db2.gz CBVNDLDSBMKBKB-CYBMUJFWSA-N -1 0 342.317 3.732 20 0 EHADRM CC1(C)CC[C@H](CNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c2ccccc21 ZINC000262808531 961876386 /nfs/dbraw/zinc/87/63/86/961876386.db2.gz NUXJSXRDTHBXRE-BZUAXINKSA-N -1 0 343.467 3.849 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)CSc2ccc3ccccc3c2)C1 ZINC000262813799 961881899 /nfs/dbraw/zinc/88/18/99/961881899.db2.gz AJGZXOJIZKDLEZ-LJQANCHMSA-N -1 0 343.448 3.645 20 0 EHADRM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1ccc(C(=O)[O-])s1)[C@@H]2C ZINC000262844532 961912323 /nfs/dbraw/zinc/91/23/23/961912323.db2.gz RPJDPAWXCMPSQT-WDEREUQCSA-N -1 0 345.420 3.603 20 0 EHADRM Cc1cccc(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1Cl ZINC000262858892 961923794 /nfs/dbraw/zinc/92/37/94/961923794.db2.gz IORORRBVCACOOV-HZPDHXFCSA-N -1 0 343.810 3.589 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CC[C@@H](C(C)(C)C)C[C@H]1C)C(=O)[O-] ZINC001588850647 961924641 /nfs/dbraw/zinc/92/46/41/961924641.db2.gz XEPZRQDEDYIZCO-RBSFLKMASA-N -1 0 326.481 3.590 20 0 EHADRM CC(C)C[C@H](CNC(=O)N[C@H](C)c1c(F)cccc1Cl)C(=O)[O-] ZINC001588852415 961941591 /nfs/dbraw/zinc/94/15/91/961941591.db2.gz LMLIVSJWTMOQBK-GHMZBOCLSA-N -1 0 344.814 3.586 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)CCc1cc(C)cc(C)c1 ZINC000262876062 961949985 /nfs/dbraw/zinc/94/99/85/961949985.db2.gz GONTWDZRKVHRGF-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1c(Cl)cc(F)cc1Cl)C(=O)[O-] ZINC001588854697 961964245 /nfs/dbraw/zinc/96/42/45/961964245.db2.gz KHZNUKOMQDOTKD-MRVPVSSYSA-N -1 0 336.190 3.609 20 0 EHADRM O=C([O-])C1(NC(=O)[C@H]2CCC[C@H]2Cc2ccccc2)CCCCC1 ZINC001574549693 961969881 /nfs/dbraw/zinc/96/98/81/961969881.db2.gz NMVRGZPAHCFECB-IRXDYDNUSA-N -1 0 329.440 3.549 20 0 EHADRM CCCCO[C@H](C)C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000262923670 962006100 /nfs/dbraw/zinc/00/61/00/962006100.db2.gz FMBCYSAVGRYEIA-RDTXWAMCSA-N -1 0 343.423 3.677 20 0 EHADRM C[C@@H](CCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])c1ccccc1 ZINC000262941896 962026930 /nfs/dbraw/zinc/02/69/30/962026930.db2.gz CJCALUGEDQOFLM-HNAYVOBHSA-N -1 0 337.419 3.608 20 0 EHADRM C[C@H](CCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])c1ccccc1 ZINC000262941895 962027087 /nfs/dbraw/zinc/02/70/87/962027087.db2.gz CJCALUGEDQOFLM-DNVCBOLYSA-N -1 0 337.419 3.608 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)NC[C@@H]2CCC=CCCC2)c2ccccc21 ZINC001574564477 962029315 /nfs/dbraw/zinc/02/93/15/962029315.db2.gz IWCRSCJZBVGAJG-FHLIZLRMSA-N -1 0 342.439 3.735 20 0 EHADRM CC(C)CCOc1ccccc1NC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001588867684 962029616 /nfs/dbraw/zinc/02/96/16/962029616.db2.gz CRYUKMATLWTJHD-CABCVRRESA-N -1 0 348.443 3.686 20 0 EHADRM CC(C)CCO[C@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001588868155 962040780 /nfs/dbraw/zinc/04/07/80/962040780.db2.gz XFNTZLGIFDYRNX-LLVKDONJSA-N -1 0 339.457 3.715 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)NCC2CCCCCC2)c2ccccc21 ZINC001574567206 962042045 /nfs/dbraw/zinc/04/20/45/962042045.db2.gz CVIHUDXXIJSQSM-SJORKVTESA-N -1 0 330.428 3.569 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262968316 962055592 /nfs/dbraw/zinc/05/55/92/962055592.db2.gz RIGJYUJINFXVLQ-QEJZJMRPSA-N -1 0 337.847 3.620 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H](C)CC2CCCCC2)cc1 ZINC001340565518 962103464 /nfs/dbraw/zinc/10/34/64/962103464.db2.gz ZBUPSEGYPGKEDO-KDOFPFPSSA-N -1 0 347.455 3.934 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)NCCCCCCC(=O)[O-] ZINC000263008991 962107943 /nfs/dbraw/zinc/10/79/43/962107943.db2.gz QWINGJJGBHRTIU-UHFFFAOYSA-N -1 0 326.462 3.514 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CCC[C@H]1Cc1ccccc1)c1ccccc1 ZINC001574584712 962109907 /nfs/dbraw/zinc/10/99/07/962109907.db2.gz IMVITBKBOICQMA-OTWHNJEPSA-N -1 0 337.419 3.588 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CC2(CCCC2)c2ccccc21 ZINC000263030958 962144439 /nfs/dbraw/zinc/14/44/39/962144439.db2.gz UXZLEMXRLBFBBO-UHFFFAOYSA-N -1 0 339.391 3.687 20 0 EHADRM O=C([O-])CC1(NC(=O)CCc2ccc(Cl)c(Cl)c2)CCCC1 ZINC000263033570 962149333 /nfs/dbraw/zinc/14/93/33/962149333.db2.gz ZBHLOTNCXGIKRM-UHFFFAOYSA-N -1 0 344.238 3.830 20 0 EHADRM CC(C)[C@H](NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1 ZINC001343024108 962154083 /nfs/dbraw/zinc/15/40/83/962154083.db2.gz XMBOJEPBZPDXPO-YJBOKZPZSA-N -1 0 332.444 3.670 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000263036283 962156959 /nfs/dbraw/zinc/15/69/59/962156959.db2.gz DFJAQCFVOKRBSP-HNNXBMFYSA-N -1 0 333.359 3.796 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(OC2CCCC2)nc1 ZINC001343709399 962167568 /nfs/dbraw/zinc/16/75/68/962167568.db2.gz BAJDUBBQAGSLJV-UHFFFAOYSA-N -1 0 340.379 3.662 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)c1cc(C(F)(F)F)ccc1Cl ZINC001574607838 962178465 /nfs/dbraw/zinc/17/84/65/962178465.db2.gz RACAEOMVPQAGMO-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@H]1CCCc2ccccc21 ZINC000263050966 962182755 /nfs/dbraw/zinc/18/27/55/962182755.db2.gz WWQLDXWCZDLVAJ-KRWDZBQOSA-N -1 0 339.391 3.517 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)cc1 ZINC000263051854 962185101 /nfs/dbraw/zinc/18/51/01/962185101.db2.gz DZYTWUAAVJZRKV-FSBGKCOPSA-N -1 0 345.345 3.895 20 0 EHADRM O=C([O-])c1cncc(NC(=O)N[C@H]2CCCc3ccc(Cl)cc32)c1 ZINC001574608503 962189678 /nfs/dbraw/zinc/18/96/78/962189678.db2.gz OPTXBAWEWQUGAQ-HNNXBMFYSA-N -1 0 345.786 3.632 20 0 EHADRM CC[C@H](CC(=O)Nc1ccc(CC(=O)[O-])c(F)c1)c1ccccc1 ZINC000263056050 962191547 /nfs/dbraw/zinc/19/15/47/962191547.db2.gz AISQEGPVBQCAMI-CYBMUJFWSA-N -1 0 329.371 3.975 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C)CC(=O)[O-] ZINC001588890829 962204869 /nfs/dbraw/zinc/20/48/69/962204869.db2.gz ZPMIIRXMXASLCB-XYJFISCASA-N -1 0 346.471 3.711 20 0 EHADRM CC(C)C[C@H](CNC(=O)NCC[C@H]1CCCC[C@H]1C)CC(=O)[O-] ZINC001588892635 962209825 /nfs/dbraw/zinc/20/98/25/962209825.db2.gz UYJGOELGBNPZHT-OWCLPIDISA-N -1 0 326.481 3.639 20 0 EHADRM CC(C)C[C@H](CNC(=O)NC1CCC(C(C)C)CC1)CC(=O)[O-] ZINC001588892780 962213623 /nfs/dbraw/zinc/21/36/23/962213623.db2.gz GDRRUYKHPUYWLY-FHERZECASA-N -1 0 326.481 3.637 20 0 EHADRM COCc1cc(NC(=O)C(C)(C)c2ccc(F)cc2)cc(C(=O)[O-])c1 ZINC000263083495 962229153 /nfs/dbraw/zinc/22/91/53/962229153.db2.gz LQEDGUOEURARAG-UHFFFAOYSA-N -1 0 345.370 3.587 20 0 EHADRM O=C([O-])[C@H](C(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)C1CCCC1 ZINC001574617289 962232404 /nfs/dbraw/zinc/23/24/04/962232404.db2.gz PFGLNRDXXKDIJZ-BPUTZDHNSA-N -1 0 335.831 3.593 20 0 EHADRM CC[C@@](CNC(=O)c1cccc(C)c1Cl)(C(=O)[O-])c1ccccc1 ZINC000263093165 962243262 /nfs/dbraw/zinc/24/32/62/962243262.db2.gz VSDWQPACYPWOBO-IBGZPJMESA-N -1 0 345.826 3.811 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1cccc2c(Cl)nccc12)C1CCCC1 ZINC001574620955 962247057 /nfs/dbraw/zinc/24/70/57/962247057.db2.gz JIYOMZBQRPEHTF-AWEZNQCLSA-N -1 0 332.787 3.718 20 0 EHADRM CC(C)C[C@H](NC(=O)Nc1ccccc1N(C)C1CCCC1)C(=O)[O-] ZINC001588901891 962257525 /nfs/dbraw/zinc/25/75/25/962257525.db2.gz UUPOZZTWDVNXDK-INIZCTEOSA-N -1 0 347.459 3.686 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3C[C@@H]4CCC[C@H]4[C@@H]3C(=O)[O-])s2)o1 ZINC000263149034 962301999 /nfs/dbraw/zinc/30/19/99/962301999.db2.gz YYSUFOQAAYRMKO-HWWQOWPSSA-N -1 0 345.420 3.642 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccccc2-c2nccs2)C1 ZINC001345809469 962316130 /nfs/dbraw/zinc/31/61/30/962316130.db2.gz RYDRRDDLNVZNGR-RYUDHWBXSA-N -1 0 330.409 3.640 20 0 EHADRM COCc1cc(NC(=O)C(C)(C)c2ccccc2C)cc(C(=O)[O-])c1 ZINC000263167714 962321126 /nfs/dbraw/zinc/32/11/26/962321126.db2.gz ZZANYALUJXBXQF-UHFFFAOYSA-N -1 0 341.407 3.756 20 0 EHADRM CN(C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ccc(OCC(=O)[O-])cc1 ZINC000263208629 962364838 /nfs/dbraw/zinc/36/48/38/962364838.db2.gz ZJXOPWCEFWGPIP-BZUAXINKSA-N -1 0 345.439 3.719 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1F ZINC000263224240 962375521 /nfs/dbraw/zinc/37/55/21/962375521.db2.gz PRVIIYZSDDMEBP-MNOVXSKESA-N -1 0 347.308 3.760 20 0 EHADRM C[C@@H](CN(C)C(=O)c1ccc(O[C@@H](C)c2ccccc2)cc1)C(=O)[O-] ZINC000263248351 962391598 /nfs/dbraw/zinc/39/15/98/962391598.db2.gz SMQOZBVMDVLFMP-GJZGRUSLSA-N -1 0 341.407 3.619 20 0 EHADRM CC[C@@H](CC(=O)NCc1ccc(C(=O)[O-])s1)c1ccc(OC)cc1 ZINC000263285614 962424793 /nfs/dbraw/zinc/42/47/93/962424793.db2.gz XZWJZDMPGSLXEJ-LBPRGKRZSA-N -1 0 347.436 3.655 20 0 EHADRM O=C([O-])CCCCC(=O)NC[C@H](Cc1ccccc1)c1ccccc1 ZINC000263290553 962429061 /nfs/dbraw/zinc/42/90/61/962429061.db2.gz LJUTVLIGFWWYDP-IBGZPJMESA-N -1 0 339.435 3.774 20 0 EHADRM CC1(C)[C@H](c2ccccc2)CCN1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263303673 962445001 /nfs/dbraw/zinc/44/50/01/962445001.db2.gz GXCFIYRDYLCARR-JCYILVPMSA-N -1 0 344.455 3.608 20 0 EHADRM CC[C@@](C)(NC(=O)c1cc(C)cc(C(=O)[O-])c1)c1nc(C)cs1 ZINC000263327797 962473003 /nfs/dbraw/zinc/47/30/03/962473003.db2.gz PDGWJZWDLHLOFQ-QGZVFWFLSA-N -1 0 332.425 3.513 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1cccc(COc2cccc(F)c2)c1 ZINC000263333049 962481707 /nfs/dbraw/zinc/48/17/07/962481707.db2.gz VKSNWIXQKRXNQP-UHFFFAOYSA-N -1 0 345.370 3.988 20 0 EHADRM CC[C@H](C)Oc1cc(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)ccn1 ZINC000263341194 962492793 /nfs/dbraw/zinc/49/27/93/962492793.db2.gz SAMJGMRHPULSJX-QWHCGFSZSA-N -1 0 342.395 3.699 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000263355170 962509853 /nfs/dbraw/zinc/50/98/53/962509853.db2.gz WTCQTFZGHPLJEB-CHWSQXEVSA-N -1 0 329.371 3.831 20 0 EHADRM CCOc1ccc(CCC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)cc1 ZINC000263364067 962521767 /nfs/dbraw/zinc/52/17/67/962521767.db2.gz ZFLVUBROHRSYJS-AWEZNQCLSA-N -1 0 341.407 3.845 20 0 EHADRM CC(C)Oc1cccc(CN(C)C(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)c1 ZINC001588940333 962521956 /nfs/dbraw/zinc/52/19/56/962521956.db2.gz DSADUCWCTXATGT-UHFFFAOYSA-N -1 0 347.455 3.569 20 0 EHADRM O=C([O-])CC1(C(=O)N2CC3(CCCC3)c3cccc(F)c32)CCC1 ZINC001574666829 962522008 /nfs/dbraw/zinc/52/20/08/962522008.db2.gz IUXUDSNELCDQMO-UHFFFAOYSA-N -1 0 331.387 3.629 20 0 EHADRM O=C([O-])CC[C@@H](CC1CCCCC1)NC(=O)CCC1CCOCC1 ZINC000263393309 962555708 /nfs/dbraw/zinc/55/57/08/962555708.db2.gz GXCAVVIGVHTUEG-KRWDZBQOSA-N -1 0 339.476 3.513 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)c2c(C)coc2CC(=O)[O-])cc1 ZINC000263427322 962601046 /nfs/dbraw/zinc/60/10/46/962601046.db2.gz MJVYJUFGXZQDOF-LBPRGKRZSA-N -1 0 347.436 3.818 20 0 EHADRM CC(C)(C(=O)N[C@H](CC(=O)[O-])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC001352883138 962639841 /nfs/dbraw/zinc/63/98/41/962639841.db2.gz QYAZVNMZRWVMHU-CYBMUJFWSA-N -1 0 344.238 3.641 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000263518636 962700824 /nfs/dbraw/zinc/70/08/24/962700824.db2.gz FYOIWLISKVLDPL-GUDVDZBRSA-N -1 0 335.403 3.793 20 0 EHADRM CCOc1ccccc1[C@H](CC)NC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000263545434 962721233 /nfs/dbraw/zinc/72/12/33/962721233.db2.gz TWALSHUIBVLOKW-KRWDZBQOSA-N -1 0 341.407 3.594 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)o1 ZINC000263550430 962724405 /nfs/dbraw/zinc/72/44/05/962724405.db2.gz WCVNBUDBQCFAPL-UHFFFAOYSA-N -1 0 333.771 3.651 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)C2(Cc3ccccc3Cl)CC2)C1 ZINC000263554812 962725252 /nfs/dbraw/zinc/72/52/52/962725252.db2.gz YHPMCZHUTGALSZ-CQSZACIVSA-N -1 0 349.858 3.766 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CC3(CCC3)c3ccccc32)c(F)c1 ZINC000263574616 962739814 /nfs/dbraw/zinc/73/98/14/962739814.db2.gz NTGDXBNJHCZVIW-UHFFFAOYSA-N -1 0 325.339 3.606 20 0 EHADRM CC(C)n1cc2cc(NC(=O)c3coc(/C=C/C(=O)[O-])c3)ccc2n1 ZINC001588982795 962745526 /nfs/dbraw/zinc/74/55/26/962745526.db2.gz VJLXNMOGJJDPPL-GQCTYLIASA-N -1 0 339.351 3.560 20 0 EHADRM Cc1ccc(C2=CCN(C(=O)C34CCC(C(=O)[O-])(CC3)C4)CC2)cc1 ZINC001517333704 962769481 /nfs/dbraw/zinc/76/94/81/962769481.db2.gz UZYXTDQPXLBDOL-UHFFFAOYSA-N -1 0 339.435 3.646 20 0 EHADRM COc1cc([C@H](C)NC(=O)[C@]2(C(=O)[O-])CC2(C)C)cc2ccccc21 ZINC001574177455 962801450 /nfs/dbraw/zinc/80/14/50/962801450.db2.gz DWDJKCJJSNXFQO-YUNKPMOVSA-N -1 0 341.407 3.527 20 0 EHADRM CC[C@@H](C)n1nccc1C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001526682803 962873017 /nfs/dbraw/zinc/87/30/17/962873017.db2.gz MRLGTGZSQONFMG-GFCCVEGCSA-N -1 0 345.399 3.592 20 0 EHADRM CC(C)C[C@@H](C)Nc1cc(I)cc(C(=O)[O-])c1 ZINC000304589215 963151509 /nfs/dbraw/zinc/15/15/09/963151509.db2.gz RUJHPLBNZHMYHC-SECBINFHSA-N -1 0 347.196 3.836 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)NCC(C)(C)C1=CCCC1 ZINC000308749866 963299901 /nfs/dbraw/zinc/29/99/01/963299901.db2.gz FYFWVMLWKVDZST-UHFFFAOYSA-N -1 0 330.428 3.663 20 0 EHADRM CC(C)(CNC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)C1=CCCC1 ZINC000308759841 963300407 /nfs/dbraw/zinc/30/04/07/963300407.db2.gz FOQVEUCRANDAPT-OAHLLOKOSA-N -1 0 336.476 3.655 20 0 EHADRM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1C(=O)[O-] ZINC000314431522 963751870 /nfs/dbraw/zinc/75/18/70/963751870.db2.gz GINFBMUGWNPUTA-UHFFFAOYSA-N -1 0 338.190 3.964 20 0 EHADRM O=C([O-])[C@H](NC(=O)CSc1ccc(Cl)cc1)C1CCCCC1 ZINC000314514112 963763384 /nfs/dbraw/zinc/76/33/84/963763384.db2.gz WVWQXHWHHGVVHL-OAHLLOKOSA-N -1 0 341.860 3.582 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCc2nc3ccccc3s2)s1 ZINC000314528729 963764666 /nfs/dbraw/zinc/76/46/66/963764666.db2.gz VOOUXTOLHGJWEI-UHFFFAOYSA-N -1 0 332.406 3.627 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)s1 ZINC000314580575 963771771 /nfs/dbraw/zinc/77/17/71/963771771.db2.gz AHYZWZOBWQNCKH-UHFFFAOYSA-N -1 0 333.262 3.857 20 0 EHADRM O=C([O-])c1ccc(OCc2cn3cc(Cl)ccc3n2)c(Cl)c1 ZINC000314618730 963777964 /nfs/dbraw/zinc/77/79/64/963777964.db2.gz GSNNCGQODMOWKU-UHFFFAOYSA-N -1 0 337.162 3.918 20 0 EHADRM O=C([O-])[C@@H]1CCCCCN1C(=O)CCSc1ccccc1Cl ZINC000315271095 963873395 /nfs/dbraw/zinc/87/33/95/963873395.db2.gz NGRPPIXCUOMQSR-ZDUSSCGKSA-N -1 0 341.860 3.678 20 0 EHADRM O=C([O-])c1cccc(F)c1NC(=O)CSc1ccc(Cl)cc1 ZINC000316935534 964075729 /nfs/dbraw/zinc/07/57/29/964075729.db2.gz GCCKMGBJDDEBEA-UHFFFAOYSA-N -1 0 339.775 3.908 20 0 EHADRM CC(C)C[C@@H](NC(=O)/C=C/c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000037430970 967510390 /nfs/dbraw/zinc/51/03/90/967510390.db2.gz CVSZKDLUVAIKAS-ITDFMYJTSA-N -1 0 330.211 3.622 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CCC[C@H](c2ccccc2)CC1 ZINC000262101290 967809225 /nfs/dbraw/zinc/80/92/25/967809225.db2.gz HOJDESPQEMMCTO-KRWDZBQOSA-N -1 0 337.419 3.724 20 0 EHADRM Cc1ccc(Oc2ccccc2CNC(=O)[C@@H]2CC[C@H]2C(=O)[O-])cc1 ZINC000262658938 967825209 /nfs/dbraw/zinc/82/52/09/967825209.db2.gz MJKLEYJSPOJKLD-IAGOWNOFSA-N -1 0 339.391 3.514 20 0 EHADRM CCOc1ccccc1-c1cccc(C(=O)NCCCCC(=O)[O-])c1 ZINC000262964584 967833015 /nfs/dbraw/zinc/83/30/15/967833015.db2.gz OTWRHSPDWFITPA-UHFFFAOYSA-N -1 0 341.407 3.737 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])C[N@H+](Cc2ccc(Br)c(Cl)c2)C1 ZINC000263061045 967841836 /nfs/dbraw/zinc/84/18/36/967841836.db2.gz MSKHCZWPOXPARC-KOLCDFICSA-N -1 0 346.652 3.645 20 0 EHADRM COc1ccc(CN(C(=O)c2cc(C)cc(C(=O)[O-])c2)C2CC2)cc1 ZINC000263292327 967867022 /nfs/dbraw/zinc/86/70/22/967867022.db2.gz MKHIJJMQUQXAJT-UHFFFAOYSA-N -1 0 339.391 3.507 20 0 EHADRM CC(C)[C@@H](CNC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000315822236 967973958 /nfs/dbraw/zinc/97/39/58/967973958.db2.gz FTGQIUXLESWYRN-BXKDBHETSA-N -1 0 347.242 3.710 20 0 EHADRM O=C([O-])C1(NC(=O)c2cc(F)c(Cl)cc2F)CCCCCC1 ZINC000317063537 967982953 /nfs/dbraw/zinc/98/29/53/967982953.db2.gz MAZKQNJSADVWEF-UHFFFAOYSA-N -1 0 331.746 3.526 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000392112449 968196308 /nfs/dbraw/zinc/19/63/08/968196308.db2.gz BPLQVDFSOKGFLH-ZIAGYGMSSA-N -1 0 334.416 3.583 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1ccc(Cl)cc1Cl ZINC000397066245 968242725 /nfs/dbraw/zinc/24/27/25/968242725.db2.gz IKDVOXMKZTXUFI-RKDXNWHRSA-N -1 0 331.199 3.710 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc3c(c2)CCCCC3)C1 ZINC000404589640 968326642 /nfs/dbraw/zinc/32/66/42/968326642.db2.gz WQEWTHIOPOXRGZ-CZUORRHYSA-N -1 0 330.428 3.530 20 0 EHADRM CC[C@@H](NC(=O)NCCC(C)(C)C(=O)[O-])c1cccc(Cl)c1 ZINC000424393462 968361168 /nfs/dbraw/zinc/36/11/68/968361168.db2.gz LYRWLUNJTQVDLP-CYBMUJFWSA-N -1 0 326.824 3.591 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CC[C@H](C)C[C@@H]1c1ccco1)C(=O)[O-] ZINC000424404291 968363130 /nfs/dbraw/zinc/36/31/30/968363130.db2.gz CBHQLAKOAAQNIP-RRFJBIMHSA-N -1 0 336.432 3.509 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000432130105 968373514 /nfs/dbraw/zinc/37/35/14/968373514.db2.gz PIGVCEDOHYWLLO-QFQMRYFISA-N -1 0 335.403 3.632 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)nc1 ZINC000642211356 968550280 /nfs/dbraw/zinc/55/02/80/968550280.db2.gz UCZDRUMRJJFODI-UHFFFAOYSA-N -1 0 349.346 3.565 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)Cc2ccc3c(c2)CCCC3)c2ccccc21 ZINC000653333741 968666027 /nfs/dbraw/zinc/66/60/27/968666027.db2.gz SPADIXUKXXPXOO-WOJBJXKFSA-N -1 0 349.430 3.537 20 0 EHADRM C[C@@H](CNC(=O)Nc1cc(Cl)ccc1OC1CCCC1)C(=O)[O-] ZINC000653543489 968675173 /nfs/dbraw/zinc/67/51/73/968675173.db2.gz PQOGUWYLUQILSH-JTQLQIEISA-N -1 0 340.807 3.504 20 0 EHADRM O=C([O-])CCCCC(=O)NCc1cccc(COc2ccccc2)c1 ZINC000655553373 968680085 /nfs/dbraw/zinc/68/00/85/968680085.db2.gz JZTFUMKZXAVEIF-UHFFFAOYSA-N -1 0 341.407 3.527 20 0 EHADRM CC[C@@H](C(=O)NC[C@@H](C(=O)[O-])C(C)C)c1cccc(C(F)(F)F)c1 ZINC000655573652 968682994 /nfs/dbraw/zinc/68/29/94/968682994.db2.gz YAOPVBZQSFDNKX-ZIAGYGMSSA-N -1 0 345.361 3.672 20 0 EHADRM C[C@H](C(=O)N(CC(=O)[O-])C1CCC1)c1ccc(Cl)c(Cl)c1 ZINC000655590830 968688979 /nfs/dbraw/zinc/68/89/79/968688979.db2.gz QQRGUGFGVYQFPS-VIFPVBQESA-N -1 0 330.211 3.563 20 0 EHADRM C[C@@H](CN(C)C(=O)C1(c2c(Cl)cccc2Cl)CCC1)C(=O)[O-] ZINC000659131692 968724204 /nfs/dbraw/zinc/72/42/04/968724204.db2.gz VBPALULGCVXGLU-JTQLQIEISA-N -1 0 344.238 3.594 20 0 EHADRM O=C([O-])C1(C(=O)Nc2nnc(-c3ccccc3)s2)CCCCCC1 ZINC000663089718 968797094 /nfs/dbraw/zinc/79/70/94/968797094.db2.gz SZDZFDYIIOISPY-UHFFFAOYSA-N -1 0 345.424 3.569 20 0 EHADRM COc1ccc2oc(C(=O)Nc3ccccc3C(=O)[O-])c(C)c2c1 ZINC000777885352 969171238 /nfs/dbraw/zinc/17/12/38/969171238.db2.gz WEWBRVDZFWEEKE-UHFFFAOYSA-N -1 0 325.320 3.700 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)CCc1ccc(F)c2ccccc12 ZINC000864116570 969317158 /nfs/dbraw/zinc/31/71/58/969317158.db2.gz SFRUZZCRAUAMSB-UHFFFAOYSA-N -1 0 331.387 3.671 20 0 EHADRM CC(C)N(CC1CCC1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001121845085 969679930 /nfs/dbraw/zinc/67/99/30/969679930.db2.gz WHJWIMJBLLMGNA-SJORKVTESA-N -1 0 330.428 3.520 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2)cn1 ZINC001589480239 969948230 /nfs/dbraw/zinc/94/82/30/969948230.db2.gz MZJYUZVIDFWHAR-UHFFFAOYSA-N -1 0 328.368 3.703 20 0 EHADRM CC[C@H](NC(=O)c1c(F)cccc1Sc1ccccc1)C(=O)[O-] ZINC001593620789 970123455 /nfs/dbraw/zinc/12/34/55/970123455.db2.gz GNLOAOVIMXSKTH-ZDUSSCGKSA-N -1 0 333.384 3.570 20 0 EHADRM Cc1cccc([C@H](NC(=O)Nc2scnc2C(C)C)C(=O)[O-])c1 ZINC001594393665 970219235 /nfs/dbraw/zinc/21/92/35/970219235.db2.gz OFAHUMJIYAVCBT-ZDUSSCGKSA-N -1 0 333.413 3.522 20 0 EHADRM O=C([O-])c1ccc(OCc2cc(F)ccc2Cl)c([N+](=O)[O-])c1 ZINC000318049233 970407110 /nfs/dbraw/zinc/40/71/10/970407110.db2.gz XYBPQOICHDFKKZ-UHFFFAOYSA-N -1 0 325.679 3.665 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2cc(Cl)nc(Cl)c2)CCCCC1 ZINC000318571827 970447988 /nfs/dbraw/zinc/44/79/88/970447988.db2.gz CEERAJOWFLXAPU-UHFFFAOYSA-N -1 0 345.226 3.543 20 0 EHADRM C[C@H]1CCN(C(=O)CCc2ccc(Cl)cc2Cl)[C@H](C(=O)[O-])C1 ZINC000319081087 970502076 /nfs/dbraw/zinc/50/20/76/970502076.db2.gz BPPULMSRNBYAQX-HZMBPMFUSA-N -1 0 344.238 3.638 20 0 EHADRM C[C@H](C(=O)[O-])c1noc(CCCOc2ccc(Cl)cc2Cl)n1 ZINC001609744176 970510355 /nfs/dbraw/zinc/51/03/55/970510355.db2.gz QMFMWDKUHMFOKB-QMMMGPOBSA-N -1 0 345.182 3.576 20 0 EHADRM O=C([O-])c1cccc(OCCSc2ccc(C(F)(F)F)cn2)c1 ZINC000319589176 970550629 /nfs/dbraw/zinc/55/06/29/970550629.db2.gz KAQDDYPGSZDKGC-UHFFFAOYSA-N -1 0 343.326 3.970 20 0 EHADRM Cc1csc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)c1Cl ZINC000319967131 970595178 /nfs/dbraw/zinc/59/51/78/970595178.db2.gz YKKBJDCPUFEVPO-JTQLQIEISA-N -1 0 335.812 3.929 20 0 EHADRM O=C([O-])c1cc(NC(=O)NCc2cccc(Cl)c2)c(F)cc1F ZINC000320211344 970631377 /nfs/dbraw/zinc/63/13/77/970631377.db2.gz XUATVDDZAHFXJX-UHFFFAOYSA-N -1 0 340.713 3.638 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)Nc2ccc(Cl)cc2F)cc1 ZINC000320622150 970686001 /nfs/dbraw/zinc/68/60/01/970686001.db2.gz CJLDRDZHVSIESS-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)NCCc1ccc(Cl)cc1 ZINC000320788322 970714940 /nfs/dbraw/zinc/71/49/40/970714940.db2.gz KLABVLXKHVWURB-UHFFFAOYSA-N -1 0 332.787 3.711 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000321082546 970740719 /nfs/dbraw/zinc/74/07/19/970740719.db2.gz IEQQYRLXVKYJQH-DIFFPNOSSA-N -1 0 335.400 3.594 20 0 EHADRM Cc1cc(C(=O)CS[C@@H](C)C(=O)[O-])c(C)n1Cc1cccs1 ZINC001600077691 970756547 /nfs/dbraw/zinc/75/65/47/970756547.db2.gz ZWLZHHOGKYJOPU-LBPRGKRZSA-N -1 0 337.466 3.604 20 0 EHADRM CSc1ccc(Cl)c(NC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC001604964697 972551265 /nfs/dbraw/zinc/55/12/65/972551265.db2.gz AXFPKPIUBSJVJM-KOLCDFICSA-N -1 0 342.848 3.636 20 0 EHADRM CSc1ccc(C)c(NC(=O)NCc2cccc(C(=O)[O-])c2)c1 ZINC001604964960 972554504 /nfs/dbraw/zinc/55/45/04/972554504.db2.gz PEZSTYOONMSARF-UHFFFAOYSA-N -1 0 330.409 3.737 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)c1cccc(-c2c(F)cccc2F)c1 ZINC001604161685 972578102 /nfs/dbraw/zinc/57/81/02/972578102.db2.gz PIDALUCDVHNKIW-UHFFFAOYSA-N -1 0 333.334 3.569 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)c2ccccc2SC(F)(F)F)C1 ZINC000393314888 972584147 /nfs/dbraw/zinc/58/41/47/972584147.db2.gz BOZXZXHNQOJFMS-ZJUUUORDSA-N -1 0 347.358 3.672 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccc(CNc3ccccc3)cc2)C1 ZINC001605851357 972594897 /nfs/dbraw/zinc/59/48/97/972594897.db2.gz CZGHNOBBPZZMCW-JKSUJKDBSA-N -1 0 338.407 3.738 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CCC(c2cccc(F)c2)CC1 ZINC001603310709 972602574 /nfs/dbraw/zinc/60/25/74/972602574.db2.gz RZDKQKLZGWJYHR-UHFFFAOYSA-N -1 0 347.430 3.669 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1ccc2occc2c1)c1ccc(F)cc1 ZINC001605857544 972607781 /nfs/dbraw/zinc/60/77/81/972607781.db2.gz QHEPAEWEIPWQJI-HNNXBMFYSA-N -1 0 328.299 3.519 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1ccc(OCC2CCCCC2)cc1 ZINC001605008077 972612893 /nfs/dbraw/zinc/61/28/93/972612893.db2.gz SBWKEEOQDWGHQX-RDTXWAMCSA-N -1 0 345.439 3.723 20 0 EHADRM O=C([O-])c1cccnc1NC(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001605878279 972657668 /nfs/dbraw/zinc/65/76/68/972657668.db2.gz YJMPXDNDQYMKPO-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC001605878729 972660789 /nfs/dbraw/zinc/66/07/89/972660789.db2.gz NDGXSDYNFNZXFZ-UHFFFAOYSA-N -1 0 347.783 3.538 20 0 EHADRM O=C([O-])[C@H](C(=O)N[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC001605893356 972702518 /nfs/dbraw/zinc/70/25/18/972702518.db2.gz WVYXLJOVAHFJBD-BPUTZDHNSA-N -1 0 335.831 3.593 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001605076026 972703074 /nfs/dbraw/zinc/70/30/74/972703074.db2.gz APFLZEHVAHPGGL-UHFFFAOYSA-N -1 0 330.340 3.694 20 0 EHADRM Cc1c2occ(CC(=O)N3C[C@H](C)C[C@H](C(=O)[O-])C3)c2ccc1Cl ZINC001605081976 972722192 /nfs/dbraw/zinc/72/21/92/972722192.db2.gz SAQRSIOZXVLMJP-PWSUYJOCSA-N -1 0 349.814 3.506 20 0 EHADRM Cc1c(Cl)cc2c(c1Cl)CCCN2C(=O)[C@@H](C(=O)[O-])C1CC1 ZINC001605082257 972722855 /nfs/dbraw/zinc/72/28/55/972722855.db2.gz YLBUSYDRQKUQCW-ZDUSSCGKSA-N -1 0 342.222 3.692 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21)c1ccc(F)cc1 ZINC001605903147 972743292 /nfs/dbraw/zinc/74/32/92/972743292.db2.gz FPTWQIJILLQWME-BASLNEPJSA-N -1 0 333.403 3.674 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(OC(F)(F)F)cc2)CCCCC1 ZINC001605938423 972886262 /nfs/dbraw/zinc/88/62/62/972886262.db2.gz ZFIQESAZWSQDCL-UHFFFAOYSA-N -1 0 331.290 3.559 20 0 EHADRM CCCN(CC(F)(F)F)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000396441974 972888851 /nfs/dbraw/zinc/88/88/51/972888851.db2.gz OEYDUFZXYBUJFF-JTQLQIEISA-N -1 0 332.322 3.681 20 0 EHADRM Cc1cc(NC(=O)N2CCC(C)(C(=O)[O-])CC2)cc(C(F)(F)F)c1 ZINC001605201353 972931727 /nfs/dbraw/zinc/93/17/27/972931727.db2.gz GXZWRPFGQSIJMP-UHFFFAOYSA-N -1 0 344.333 3.732 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 ZINC001603379960 972944762 /nfs/dbraw/zinc/94/47/62/972944762.db2.gz AXOCSMUVWHILPD-GXTWGEPZSA-N -1 0 346.427 3.632 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1ccccc1OC1CCCC1 ZINC001603388878 972996794 /nfs/dbraw/zinc/99/67/94/972996794.db2.gz SHSWPPVSJBLSGX-KBPBESRZSA-N -1 0 346.427 3.725 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCC3(CCCC3)CC2)c2ccccc21 ZINC001605976472 972997942 /nfs/dbraw/zinc/99/79/42/972997942.db2.gz AEGWVHCJWBDESP-DLBZAZTESA-N -1 0 342.439 3.665 20 0 EHADRM O=C([O-])C1CC(Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)C1 ZINC001605984732 973029979 /nfs/dbraw/zinc/02/99/79/973029979.db2.gz WWNMZSSLHSVCLW-UXUKBGGZSA-N -1 0 339.819 3.563 20 0 EHADRM Cc1ccc([C@H]2CCN(C(=O)NCC3(C(=O)[O-])CCC3)C2(C)C)cc1 ZINC001605262541 973038218 /nfs/dbraw/zinc/03/82/18/973038218.db2.gz JQCJVOXQSCXLIA-MRXNPFEDSA-N -1 0 344.455 3.527 20 0 EHADRM Cc1cccc(Cl)c1CC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001605339352 973225219 /nfs/dbraw/zinc/22/52/19/973225219.db2.gz GJNLMKJPORISQK-WBVHZDCISA-N -1 0 343.810 3.620 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC001605347110 973243061 /nfs/dbraw/zinc/24/30/61/973243061.db2.gz DNMDSVKLWMBGOP-MORSLUCNSA-N -1 0 338.407 3.668 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)N1CCC(Cc2ccccc2)CC1)C(=O)[O-] ZINC000400690134 973308435 /nfs/dbraw/zinc/30/84/35/973308435.db2.gz BBVUDUFLOLZPKH-MAUKXSAKSA-N -1 0 346.471 3.540 20 0 EHADRM O=C([O-])CC[C@@H]1Cc2ccccc2N(CCOCC2CCCC2)C1 ZINC001606135788 973384004 /nfs/dbraw/zinc/38/40/04/973384004.db2.gz RSIMTMGHQXHDKZ-QGZVFWFLSA-N -1 0 331.456 3.737 20 0 EHADRM Cc1nc2ccc(COC(=O)c3coc(/C=C\C(=O)[O-])c3)cc2s1 ZINC001605416449 973425840 /nfs/dbraw/zinc/42/58/40/973425840.db2.gz PPECTQKGXAAEEU-HYXAFXHYSA-N -1 0 343.360 3.653 20 0 EHADRM Cc1ncc(-c2ccccc2)cc1NC(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC001605419916 973434884 /nfs/dbraw/zinc/43/48/84/973434884.db2.gz FSQBFQRYKSDXMZ-ZDUSSCGKSA-N -1 0 339.395 3.526 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N1CCC(=Cc2ccccc2F)CC1 ZINC001603520065 973544374 /nfs/dbraw/zinc/54/43/74/973544374.db2.gz LOFWKYWOBLEYTH-UHFFFAOYSA-N -1 0 333.403 3.723 20 0 EHADRM Cc1sc(CN2CCC[C@@H](C)[C@@H]2C(=O)[O-])cc1Br ZINC001605461426 973560665 /nfs/dbraw/zinc/56/06/65/973560665.db2.gz YVAXNTBRFMVBDV-PRHODGIISA-N -1 0 332.263 3.504 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)c1cscc1Br ZINC000404967888 973757543 /nfs/dbraw/zinc/75/75/43/973757543.db2.gz YICYMIRGBPGVKG-UHFFFAOYSA-N -1 0 346.227 3.831 20 0 EHADRM O=C([O-])[C@H](CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)CC1CC1 ZINC000405268636 973808845 /nfs/dbraw/zinc/80/88/45/973808845.db2.gz SPPCRNLQSPPZKT-VIFPVBQESA-N -1 0 332.278 3.526 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N[C@H](C(=O)[O-])c1cccc(C)c1 ZINC001603593759 973809403 /nfs/dbraw/zinc/80/94/03/973809403.db2.gz NJNBLJTWHMLQEU-RANZSIQMSA-N -1 0 347.455 3.611 20 0 EHADRM CCC[C@](C)(NC(=O)Nc1cncc(C(=O)[O-])c1)c1ccccc1 ZINC001603627470 973938007 /nfs/dbraw/zinc/93/80/07/973938007.db2.gz BFGWJMJYVWVGNV-SFHVURJKSA-N -1 0 327.384 3.617 20 0 EHADRM CC[C@](CNC(=O)[C@@H](C)c1cccc(C)c1)(C(=O)[O-])c1ccccc1 ZINC000414445114 973938077 /nfs/dbraw/zinc/93/80/77/973938077.db2.gz VXJCMAXNOPVZOB-HRAATJIYSA-N -1 0 339.435 3.647 20 0 EHADRM Cc1cc(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c(C)n1C1CC1 ZINC000414447398 973940415 /nfs/dbraw/zinc/94/04/15/973940415.db2.gz KUUPTVPBJRDITA-GFCCVEGCSA-N -1 0 326.396 3.880 20 0 EHADRM O=C([O-])CCCCCNC(=O)N[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000414610182 973942808 /nfs/dbraw/zinc/94/28/08/973942808.db2.gz MWUMJRIBEGAFBN-JOCQHMNTSA-N -1 0 338.835 3.530 20 0 EHADRM O=C([O-])CCCCCNC(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000414631712 973943487 /nfs/dbraw/zinc/94/34/87/973943487.db2.gz WOAZRHVSYRCEKF-OAHLLOKOSA-N -1 0 338.835 3.832 20 0 EHADRM O=C([O-])c1cccc(N2CCC(c3nc4ccccc4s3)CC2)n1 ZINC000416384495 973948521 /nfs/dbraw/zinc/94/85/21/973948521.db2.gz FDNHESXCGHHREO-UHFFFAOYSA-N -1 0 339.420 3.774 20 0 EHADRM Cc1cc2sc(NC(=O)NCCCCCC(=O)[O-])nc2cc1F ZINC000417784929 973968528 /nfs/dbraw/zinc/96/85/28/973968528.db2.gz CRJZLLBWNLPKEG-UHFFFAOYSA-N -1 0 339.392 3.510 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N2CCC[C@@H]2C2CCCCC2)cc1 ZINC001606489329 973972796 /nfs/dbraw/zinc/97/27/96/973972796.db2.gz XHGJSPOARPPYPN-QGZVFWFLSA-N -1 0 330.428 3.639 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N2CCCC[C@@H]2CC2CCC2)cc1 ZINC001606489308 973973098 /nfs/dbraw/zinc/97/30/98/973973098.db2.gz UYGHCXHYXLXXGF-QGZVFWFLSA-N -1 0 330.428 3.639 20 0 EHADRM CCCCC1CCC(CNC(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)CC1 ZINC001603641403 973990881 /nfs/dbraw/zinc/99/08/81/973990881.db2.gz MZTGNVIDGDRKTP-RDHHWEPZSA-N -1 0 338.492 3.735 20 0 EHADRM CCCCCOc1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)cc1 ZINC001603645694 974000671 /nfs/dbraw/zinc/00/06/71/974000671.db2.gz VQKODRYOXXLZGJ-GDBMZVCRSA-N -1 0 333.428 3.581 20 0 EHADRM CCCCc1nc(C)c(CC(=O)Nc2ccccc2C(=O)[O-])s1 ZINC001603653070 974019802 /nfs/dbraw/zinc/01/98/02/974019802.db2.gz PWDQZMHDNYAGNV-UHFFFAOYSA-N -1 0 332.425 3.674 20 0 EHADRM CC[C@H](NC(=O)NCCC(C)(C)C(=O)[O-])c1ccc(Cl)s1 ZINC000424404759 974029751 /nfs/dbraw/zinc/02/97/51/974029751.db2.gz HAKYRRLUBAOSQO-VIFPVBQESA-N -1 0 332.853 3.653 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)[C@@H]2CCC[C@H](F)C2)c2ccccc12 ZINC000425249550 974040346 /nfs/dbraw/zinc/04/03/46/974040346.db2.gz UJVMMXXERXHQFK-OLZOCXBDSA-N -1 0 345.370 3.770 20 0 EHADRM O=C([O-])CC1(CC(=O)NC[C@@H]2CCCCC(F)(F)C2)CCCC1 ZINC000427477970 974053436 /nfs/dbraw/zinc/05/34/36/974053436.db2.gz DAIWASRHAJHWNQ-CYBMUJFWSA-N -1 0 331.403 3.743 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)c3ccc4cc[nH]c4n3)ccc2s1 ZINC000431514570 974066474 /nfs/dbraw/zinc/06/64/74/974066474.db2.gz REKNTLKLLPTUFP-UHFFFAOYSA-N -1 0 337.360 3.728 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000431545436 974069349 /nfs/dbraw/zinc/06/93/49/974069349.db2.gz SMEHQGBIRQPIBQ-UHFFFAOYSA-N -1 0 333.771 3.998 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000431861603 974077719 /nfs/dbraw/zinc/07/77/19/974077719.db2.gz UXSTXMISTYPRRZ-UHFFFAOYSA-N -1 0 339.819 3.504 20 0 EHADRM C[C@@]1(NC(=O)CSc2ccc(Cl)cc2)CCCC[C@H]1C(=O)[O-] ZINC000431887205 974078273 /nfs/dbraw/zinc/07/82/73/974078273.db2.gz KVFXKHJTQPDVMF-XJKSGUPXSA-N -1 0 341.860 3.582 20 0 EHADRM CCCc1ccc([C@@H](NC(=O)N(C)C[C@@H](C)C(=O)[O-])C(C)C)cc1 ZINC001603691765 974079008 /nfs/dbraw/zinc/07/90/08/974079008.db2.gz HKUWXAUGGFSNMN-PBHICJAKSA-N -1 0 334.460 3.698 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1ccc(C(F)(F)F)cn1 ZINC000431977505 974079800 /nfs/dbraw/zinc/07/98/00/974079800.db2.gz NFVRGIRVXFMRIJ-UHFFFAOYSA-N -1 0 338.285 3.668 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000432009727 974084501 /nfs/dbraw/zinc/08/45/01/974084501.db2.gz YDQOHHVOBCYDPQ-CYBMUJFWSA-N -1 0 343.427 3.760 20 0 EHADRM CCCc1[nH]ccc1C(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21 ZINC001603692257 974086340 /nfs/dbraw/zinc/08/63/40/974086340.db2.gz XFXFHGLHLCYVQA-CQSZACIVSA-N -1 0 340.423 3.651 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCCc2ccc3c(c2)CCCC3)ccn1 ZINC001605676157 974087046 /nfs/dbraw/zinc/08/70/46/974087046.db2.gz QNFSENLIVMADHU-UHFFFAOYSA-N -1 0 338.407 3.620 20 0 EHADRM CC(C)(CCC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-])c1ccccc1 ZINC000432112929 974087809 /nfs/dbraw/zinc/08/78/09/974087809.db2.gz DRMQDFSTQKPQLX-JXFKEZNVSA-N -1 0 331.456 3.894 20 0 EHADRM Cc1ccc(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)cc1Cl ZINC000432122735 974090313 /nfs/dbraw/zinc/09/03/13/974090313.db2.gz OZHPAUXWJNBEQG-MRXNPFEDSA-N -1 0 345.826 3.854 20 0 EHADRM Cc1cc(C)cc(C2=CCN(C(=O)c3cccc(C(=O)[O-])c3)CC2)c1 ZINC000439720972 974108625 /nfs/dbraw/zinc/10/86/25/974108625.db2.gz ROAMMKRILWUKDV-UHFFFAOYSA-N -1 0 335.403 3.931 20 0 EHADRM CCN(C(=O)Nc1cccc(COC(C)(C)C)c1C)[C@@H](C)C(=O)[O-] ZINC001603715097 974131502 /nfs/dbraw/zinc/13/15/02/974131502.db2.gz BRSMTBRTHFOYJY-ZDUSSCGKSA-N -1 0 336.432 3.637 20 0 EHADRM Cc1ccc(C(=O)N[C@](C)(CC(=O)[O-])c2cccc(F)c2)cc1C ZINC000449002853 974140252 /nfs/dbraw/zinc/14/02/52/974140252.db2.gz NLKCRKBRRGSGKL-LJQANCHMSA-N -1 0 329.371 3.562 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000450517877 974147230 /nfs/dbraw/zinc/14/72/30/974147230.db2.gz OTTWIWCVUGMCHT-AWEZNQCLSA-N -1 0 347.386 3.524 20 0 EHADRM CC[C@H](C)[C@@H](C)C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000455942514 974175864 /nfs/dbraw/zinc/17/58/64/974175864.db2.gz YYHQSJDFVPUSHV-CWSCBRNRSA-N -1 0 331.334 3.787 20 0 EHADRM COc1cccc(SCC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000471987948 974199464 /nfs/dbraw/zinc/19/94/64/974199464.db2.gz FMLXRKJMIUMESU-UHFFFAOYSA-N -1 0 345.420 3.741 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c(F)c1 ZINC000478822915 974208175 /nfs/dbraw/zinc/20/81/75/974208175.db2.gz FUCKLZWWDBUDEL-UHFFFAOYSA-N -1 0 345.223 3.934 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)c(F)c1 ZINC000478840672 974210301 /nfs/dbraw/zinc/21/03/01/974210301.db2.gz OZJZMYFRTPHSLD-KSSFIOAISA-N -1 0 341.382 3.665 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2OC(F)(F)F)c(F)c1 ZINC000478850500 974211919 /nfs/dbraw/zinc/21/19/19/974211919.db2.gz AOFVZXZUQPCLGK-UHFFFAOYSA-N -1 0 343.232 3.675 20 0 EHADRM CC1(C)CN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c2cccc(Cl)c21 ZINC000499165766 974265334 /nfs/dbraw/zinc/26/53/34/974265334.db2.gz BOAPTJOXVLCGQZ-VXGBXAGGSA-N -1 0 335.831 3.855 20 0 EHADRM CC1(C)CN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c2cccc(Cl)c21 ZINC000499165763 974265675 /nfs/dbraw/zinc/26/56/75/974265675.db2.gz BOAPTJOXVLCGQZ-NEPJUHHUSA-N -1 0 335.831 3.855 20 0 EHADRM CC1(C)CN([C@H](C(=O)[O-])c2ccsc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000514791343 974292901 /nfs/dbraw/zinc/29/29/01/974292901.db2.gz NWISSYPKLQVRJW-FHIHXZLISA-N -1 0 335.469 3.543 20 0 EHADRM COc1ccc(OC)c([C@@H]2CCCN2c2nc(C(=O)[O-])c(C)s2)c1 ZINC000514939588 974294353 /nfs/dbraw/zinc/29/43/53/974294353.db2.gz OIFTVOLEXNAGFB-ZDUSSCGKSA-N -1 0 348.424 3.508 20 0 EHADRM O=C([O-])CC1(CC(=O)NCc2cc3c(s2)CCCC3)CCCC1 ZINC000515646459 974300004 /nfs/dbraw/zinc/30/00/04/974300004.db2.gz GZAWTSCLQUEDTE-UHFFFAOYSA-N -1 0 335.469 3.668 20 0 EHADRM CCN(c1cc(C)ccc1C)S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000516145558 974303719 /nfs/dbraw/zinc/30/37/19/974303719.db2.gz KXFJPAORJKBHMB-UHFFFAOYSA-N -1 0 347.436 3.525 20 0 EHADRM Cc1cc([C@@H](C)N2CCO[C@@H](c3ccc(F)c(C)c3)C2)oc1C(=O)[O-] ZINC000516481709 974306710 /nfs/dbraw/zinc/30/67/10/974306710.db2.gz LDCBFBHWAHDWJE-CXAGYDPISA-N -1 0 347.386 3.868 20 0 EHADRM CCO[C@H](CC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)C(C)C ZINC001603824395 974316127 /nfs/dbraw/zinc/31/61/27/974316127.db2.gz OJQXONZAQLUHPU-LLVKDONJSA-N -1 0 331.771 3.567 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)CC1CCC(C(F)(F)F)CC1)C(=O)[O-] ZINC000518774738 974325733 /nfs/dbraw/zinc/32/57/33/974325733.db2.gz CYIRNAVWYKGCFO-YWPUVAFDSA-N -1 0 337.382 3.751 20 0 EHADRM CCON(CC1CCCCC1)C(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001603842498 974343833 /nfs/dbraw/zinc/34/38/33/974343833.db2.gz BFUPQWMTCXTXLX-INIZCTEOSA-N -1 0 342.480 3.667 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cc(-c3ccccc3Cl)on2)c1 ZINC000531744892 974367767 /nfs/dbraw/zinc/36/77/67/974367767.db2.gz BBZMELNTARGHQR-UHFFFAOYSA-N -1 0 342.738 3.946 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000538514163 974389704 /nfs/dbraw/zinc/38/97/04/974389704.db2.gz OOBVALCXTLTQFB-UHFFFAOYSA-N -1 0 342.439 3.810 20 0 EHADRM Cc1c(Br)cccc1NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000538576418 974391126 /nfs/dbraw/zinc/39/11/26/974391126.db2.gz KAJNCHVKYNVXNQ-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2[nH]c3ccccc3c2Cl)CCCCC1 ZINC000539676008 974398509 /nfs/dbraw/zinc/39/85/09/974398509.db2.gz BCUORMKKVQZAFE-UHFFFAOYSA-N -1 0 348.830 3.976 20 0 EHADRM O=C([O-])c1coc(C(=O)NC[C@H](Cc2ccccc2)c2ccccc2)c1 ZINC000542765269 974416721 /nfs/dbraw/zinc/41/67/21/974416721.db2.gz GEWHBXRHTBVGQB-KRWDZBQOSA-N -1 0 349.386 3.734 20 0 EHADRM COc1ccc(S[C@H](C)C(=O)Nc2ccc(C)cc2C(=O)[O-])cc1 ZINC000544407090 974421046 /nfs/dbraw/zinc/42/10/46/974421046.db2.gz HSVSGCQGZUQMEE-GFCCVEGCSA-N -1 0 345.420 3.821 20 0 EHADRM CCc1c(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cnn1C1CCCC1 ZINC001603966597 974440582 /nfs/dbraw/zinc/44/05/82/974440582.db2.gz BNJYGCQTVCYNDY-HNNXBMFYSA-N -1 0 349.475 3.570 20 0 EHADRM CCc1ccc(CN(CC(C)C)C(=O)NCCCCC(=O)[O-])cc1 ZINC001603974942 974462279 /nfs/dbraw/zinc/46/22/79/974462279.db2.gz SMFCSIKBZVXWMF-UHFFFAOYSA-N -1 0 334.460 3.672 20 0 EHADRM CCc1noc(C)c1C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001603994011 974497286 /nfs/dbraw/zinc/49/72/86/974497286.db2.gz IXDHRMMTJMQGAK-QMMMGPOBSA-N -1 0 348.424 3.682 20 0 EHADRM O=C([O-])[C@H](CNC(=O)[C@H]1C[C@H]1c1cccc2ccccc21)CC1CC1 ZINC000565086976 974566946 /nfs/dbraw/zinc/56/69/46/974566946.db2.gz FKSVOIYUDYWVLV-SNRMKQJTSA-N -1 0 337.419 3.560 20 0 EHADRM CN(C)C(=O)c1cccc(CSCc2cccc(C(=O)[O-])c2)c1 ZINC001604046796 974580538 /nfs/dbraw/zinc/58/05/38/974580538.db2.gz QCOVYKXLDJOCGU-UHFFFAOYSA-N -1 0 329.421 3.520 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000565651872 974586275 /nfs/dbraw/zinc/58/62/75/974586275.db2.gz QPPFXXJVIQHFFI-UHFFFAOYSA-N -1 0 336.388 3.593 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)c1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000566288750 974602278 /nfs/dbraw/zinc/60/22/78/974602278.db2.gz MKEMSRPQKZRHJF-SMDDNHRTSA-N -1 0 345.361 3.801 20 0 EHADRM CN(Cc1cc(Br)cs1)[C@@H](C(=O)[O-])c1ccsc1 ZINC000566357632 974607374 /nfs/dbraw/zinc/60/73/74/974607374.db2.gz GKBVGUZYZVWHDL-LLVKDONJSA-N -1 0 346.271 3.830 20 0 EHADRM O=C([O-])[C@@H](c1ccccc1)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000566362563 974610696 /nfs/dbraw/zinc/61/06/96/974610696.db2.gz UVTVUQWILICWBK-IAGOWNOFSA-N -1 0 349.789 3.678 20 0 EHADRM Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)C[C@H](C)CC(=O)[O-] ZINC000567366983 974632822 /nfs/dbraw/zinc/63/28/22/974632822.db2.gz PTUJXMNXAAMPOE-RYUDHWBXSA-N -1 0 346.452 3.797 20 0 EHADRM CC(C)CO[C@@H]1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC000568066742 974659213 /nfs/dbraw/zinc/65/92/13/974659213.db2.gz BDGPCFOOZFWWSA-ABAIWWIYSA-N -1 0 346.254 3.866 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000568245472 974663072 /nfs/dbraw/zinc/66/30/72/974663072.db2.gz OPNROFSMPLCSMN-SNVBAGLBSA-N -1 0 346.254 3.888 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)C[C@H](C)CC(=O)[O-] ZINC000568415294 974670019 /nfs/dbraw/zinc/67/00/19/974670019.db2.gz NQCHWOAGACFSIV-RWMBFGLXSA-N -1 0 325.836 3.791 20 0 EHADRM Cc1ccc(Nc2ccccc2C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000571602445 974732526 /nfs/dbraw/zinc/73/25/26/974732526.db2.gz QIAWOVNQLQCVTD-ZBFHGGJFSA-N -1 0 338.407 3.722 20 0 EHADRM O=C([O-])[C@H](C[C@@H]1CCCc2ccccc21)NC(=O)Nc1ccccc1 ZINC000572223879 974743464 /nfs/dbraw/zinc/74/34/64/974743464.db2.gz ZPGDDPHRFSGEQY-YJBOKZPZSA-N -1 0 338.407 3.772 20 0 EHADRM O=C([O-])c1cccc(CN2CCO[C@@H](c3ccccc3)C2)c1Cl ZINC000572532905 974749727 /nfs/dbraw/zinc/74/97/27/974749727.db2.gz JEZIYGGSMBURCI-MRXNPFEDSA-N -1 0 331.799 3.612 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000574348093 974781499 /nfs/dbraw/zinc/78/14/99/974781499.db2.gz QUCYXOOWLKPTII-KGLIPLIRSA-N -1 0 335.469 3.701 20 0 EHADRM Cc1oc(CN(C)[C@@H](C)c2nc(-c3ccccc3)no2)cc1C(=O)[O-] ZINC000574406664 974782627 /nfs/dbraw/zinc/78/26/27/974782627.db2.gz RNBPWZWUZQENKN-NSHDSACASA-N -1 0 341.367 3.529 20 0 EHADRM Cc1c(Cl)cccc1C(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC000577955441 974845003 /nfs/dbraw/zinc/84/50/03/974845003.db2.gz TUDAXPSHZOCJRQ-UHFFFAOYSA-N -1 0 344.798 3.549 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Nc2ccc(C)cc2C(=O)[O-])cc1 ZINC000578469246 974855972 /nfs/dbraw/zinc/85/59/72/974855972.db2.gz BOPRAENUAOXMQM-CYBMUJFWSA-N -1 0 327.380 3.834 20 0 EHADRM O=C([O-])c1cc(-c2cc(F)ccc2OC[C@H]2CCOC2)ccc1F ZINC000580843624 974900884 /nfs/dbraw/zinc/90/08/84/974900884.db2.gz FWSKHBQECJVHPR-NSHDSACASA-N -1 0 334.318 3.745 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N(C)[C@H](C)c2ccc(F)cc2)cc1C ZINC000107963673 1014221200 /nfs/dbraw/zinc/22/12/00/1014221200.db2.gz DDRACFIULKDDEM-MYYSRTQBSA-N -1 0 347.455 3.770 20 0 EHADRM C[C@@](Cc1ccccc1)(NC(=O)c1ccc(C(=O)[O-])s1)C1CC1 ZINC000582432405 974927050 /nfs/dbraw/zinc/92/70/50/974927050.db2.gz YIRIEOWJHNLXLT-SFHVURJKSA-N -1 0 329.421 3.588 20 0 EHADRM C[C@@H](Nc1ncnc2sc3c(c21)CCC3)c1ncc(C(=O)[O-])s1 ZINC000582847434 974932306 /nfs/dbraw/zinc/93/23/06/974932306.db2.gz OGRZQJPRULUGOE-SSDOTTSWSA-N -1 0 346.437 3.508 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)c1cccc(-n2cccc2)c1 ZINC000590411059 974969224 /nfs/dbraw/zinc/96/92/24/974969224.db2.gz RMWVWWXKNRNJOC-UHFFFAOYSA-N -1 0 348.402 3.594 20 0 EHADRM CCSCc1ccc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000611478626 975019141 /nfs/dbraw/zinc/01/91/41/975019141.db2.gz PFHVTIUAPGHJHT-INIZCTEOSA-N -1 0 349.496 3.903 20 0 EHADRM COCC1(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CCCCC1 ZINC000621535463 975027699 /nfs/dbraw/zinc/02/76/99/975027699.db2.gz DEJXTPAJOKJVNU-UHFFFAOYSA-N -1 0 325.792 3.574 20 0 EHADRM CCCC[C@@H](C(=O)N[C@H](C)c1ccc(OCC(=O)[O-])cc1)C(C)C ZINC000621537973 975028544 /nfs/dbraw/zinc/02/85/44/975028544.db2.gz BYDAIEQMWWVIOQ-RHSMWYFYSA-N -1 0 335.444 3.790 20 0 EHADRM Cc1ccc(C2(C(=O)N3Cc4ccc(C(=O)[O-])cc4C3)CCC2)cc1 ZINC000621558269 975031468 /nfs/dbraw/zinc/03/14/68/975031468.db2.gz BBBZOKLWNFFGAG-UHFFFAOYSA-N -1 0 335.403 3.657 20 0 EHADRM Cc1ccccc1C1(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)CCC1 ZINC000621558577 975031687 /nfs/dbraw/zinc/03/16/87/975031687.db2.gz JXGXYUNBTCASDX-UHFFFAOYSA-N -1 0 335.403 3.657 20 0 EHADRM CCCc1occc1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000621565113 975032133 /nfs/dbraw/zinc/03/21/33/975032133.db2.gz FDHWNIXOEROQND-UHFFFAOYSA-N -1 0 339.294 3.784 20 0 EHADRM Cc1cc(C)cc(C2(C(=O)N3CCc4c(cccc4C(=O)[O-])C3)CC2)c1 ZINC000621578911 975039162 /nfs/dbraw/zinc/03/91/62/975039162.db2.gz NMJSQSNMQGDFJH-UHFFFAOYSA-N -1 0 349.430 3.618 20 0 EHADRM C[C@@H](C(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1)c1cccs1 ZINC000621588317 975045848 /nfs/dbraw/zinc/04/58/48/975045848.db2.gz VXETTZZJWQQKDX-SNPRPXQTSA-N -1 0 329.421 3.669 20 0 EHADRM C[C@@H](NC(=O)[C@H](C)c1ccc(Cl)s1)c1ncc(C(=O)[O-])s1 ZINC000621611819 975060725 /nfs/dbraw/zinc/06/07/25/975060725.db2.gz LZMHYNKDDAFNJN-RNFRBKRXSA-N -1 0 344.845 3.537 20 0 EHADRM Cc1ccc(C)c(S([O-])=CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)c1 ZINC000107966170 1014233886 /nfs/dbraw/zinc/23/38/86/1014233886.db2.gz YISVTYKXGTWTNS-BXKMTCNYSA-N -1 0 343.492 3.905 20 0 EHADRM Cc1ccc(C)c(S([O-])=CC(=O)N[C@H](C)c2ccc(C)c(C)c2)c1 ZINC000107966177 1014234366 /nfs/dbraw/zinc/23/43/66/1014234366.db2.gz YISVTYKXGTWTNS-OSPHWJPCSA-N -1 0 343.492 3.905 20 0 EHADRM CCCc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(OC)cc2)s1 ZINC000630098066 975099944 /nfs/dbraw/zinc/09/99/44/975099944.db2.gz OUVOAHAPFSIOLL-HNNXBMFYSA-N -1 0 347.436 3.655 20 0 EHADRM CC1(C)C[C@H](C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C(C)(C)O1 ZINC000630133443 975117947 /nfs/dbraw/zinc/11/79/47/975117947.db2.gz GIALDNSSBGLCBU-LLVKDONJSA-N -1 0 325.792 3.570 20 0 EHADRM CCCc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])cc2C)s1 ZINC000630134791 975119276 /nfs/dbraw/zinc/11/92/76/975119276.db2.gz FHTBKLCREXBNNE-UHFFFAOYSA-N -1 0 333.409 3.725 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)c1 ZINC000630144904 975128342 /nfs/dbraw/zinc/12/83/42/975128342.db2.gz SLRBKXMFGKIVAN-SJORKVTESA-N -1 0 327.355 3.585 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)c1ccco1 ZINC000630148466 975130202 /nfs/dbraw/zinc/13/02/02/975130202.db2.gz OAHKSTRWTXYAHN-SNVBAGLBSA-N -1 0 337.759 3.529 20 0 EHADRM Cc1cc(C(=O)NCc2ccc(OC3CCCC3)cc2)oc1C(=O)[O-] ZINC000630150604 975130621 /nfs/dbraw/zinc/13/06/21/975130621.db2.gz CMURXHBPNFNEOS-UHFFFAOYSA-N -1 0 343.379 3.538 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)C1 ZINC000630156697 975134347 /nfs/dbraw/zinc/13/43/47/975134347.db2.gz IJFKGOLTOGZYDE-ZACQAIPSSA-N -1 0 343.467 3.776 20 0 EHADRM O=C([O-])c1csc(NC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)c1 ZINC000630162629 975137425 /nfs/dbraw/zinc/13/74/25/975137425.db2.gz NULGKYXCWNVKHR-DDTOSNHZSA-N -1 0 333.796 3.624 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000630172874 975142781 /nfs/dbraw/zinc/14/27/81/975142781.db2.gz HIBMRTQQONQNDG-LAVFITLUSA-N -1 0 329.440 3.530 20 0 EHADRM CCOc1ccccc1[C@H](CC)NC(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000630179770 975145564 /nfs/dbraw/zinc/14/55/64/975145564.db2.gz PODZEZBYTZOFSR-ZDUSSCGKSA-N -1 0 331.368 3.566 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000630185298 975147025 /nfs/dbraw/zinc/14/70/25/975147025.db2.gz ZLZBJODJUNGLAJ-CABCVRRESA-N -1 0 343.354 3.665 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)c1coc(C(F)F)c1 ZINC000630216382 975163512 /nfs/dbraw/zinc/16/35/12/975163512.db2.gz DKLLCBNUHCUPDS-STQMWFEESA-N -1 0 335.306 3.648 20 0 EHADRM CC(C)CN(Cc1ccccc1F)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000630226663 975174749 /nfs/dbraw/zinc/17/47/49/975174749.db2.gz DPAUCFWZALALQH-SHTZXODSSA-N -1 0 335.419 3.701 20 0 EHADRM C[C@H]1CCC[C@H](CC(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)C1 ZINC000630239600 975184316 /nfs/dbraw/zinc/18/43/16/975184316.db2.gz WPJOYJBFTMSDFM-STQMWFEESA-N -1 0 333.403 3.625 20 0 EHADRM CC[C@H]1CCCC[C@@H]1C(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000630242096 975187722 /nfs/dbraw/zinc/18/77/22/975187722.db2.gz PWAREAHRZCQTGF-STQMWFEESA-N -1 0 333.403 3.625 20 0 EHADRM CC1(C)CCC[C@H](C(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)C1 ZINC000630242164 975187808 /nfs/dbraw/zinc/18/78/08/975187808.db2.gz YAYHGPKOGQSZJR-LBPRGKRZSA-N -1 0 333.403 3.625 20 0 EHADRM C[C@@H](CC1CCCC1)C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC000630257820 975200462 /nfs/dbraw/zinc/20/04/62/975200462.db2.gz FQRDXGBNVPHUON-RYUDHWBXSA-N -1 0 337.391 3.833 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)CCc1cc(Cl)cs1)C1CCCCC1 ZINC000630266541 975210701 /nfs/dbraw/zinc/21/07/01/975210701.db2.gz YXGGVLKEMIVXKV-AWEZNQCLSA-N -1 0 343.876 3.731 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)c1 ZINC000630293941 975234499 /nfs/dbraw/zinc/23/44/99/975234499.db2.gz FZQONBNXRLGIRC-MJGOQNOKSA-N -1 0 337.419 3.770 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N[C@H]1CCC[C@H](c2ccccc2)C1 ZINC000630294899 975235154 /nfs/dbraw/zinc/23/51/54/975235154.db2.gz SRAMTLARKVBNOI-WMZOPIPTSA-N -1 0 337.419 3.770 20 0 EHADRM COc1ccc(N(CCC(C)C)C(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000630295725 975235698 /nfs/dbraw/zinc/23/56/98/975235698.db2.gz UZVOHUBQINXNSG-UHFFFAOYSA-N -1 0 331.368 3.679 20 0 EHADRM CN(C(=O)c1cc(C(=O)[O-])ccn1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000630295640 975235863 /nfs/dbraw/zinc/23/58/63/975235863.db2.gz TZEOXQZPWSBSEB-WMZOPIPTSA-N -1 0 338.407 3.578 20 0 EHADRM Cc1ccc([C@@H]2CCN(C(=O)CCc3ccccc3C(=O)[O-])C2)cc1 ZINC000630296763 975236461 /nfs/dbraw/zinc/23/64/61/975236461.db2.gz ZTKQQMJNUBEATD-GOSISDBHSA-N -1 0 337.419 3.642 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)NCC(C)(C)c1ccc2ccccc2c1 ZINC000630303748 975240780 /nfs/dbraw/zinc/24/07/80/975240780.db2.gz ZMTYOYKGLBRBTA-CQSZACIVSA-N -1 0 327.424 3.735 20 0 EHADRM CCCCOc1ccc(NC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)c(C)c1 ZINC000630561696 975267748 /nfs/dbraw/zinc/26/77/48/975267748.db2.gz LHXQOATXCUBZML-ZBFHGGJFSA-N -1 0 348.443 3.748 20 0 EHADRM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)C1CCC=CCC1 ZINC000634803020 975276315 /nfs/dbraw/zinc/27/63/15/975276315.db2.gz BETKSEVZVPSNSA-UHFFFAOYSA-N -1 0 337.366 3.515 20 0 EHADRM O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)c1ccoc1C1CC1 ZINC000649244801 975384816 /nfs/dbraw/zinc/38/48/16/975384816.db2.gz WKMLAWDDIYVSMP-UHFFFAOYSA-N -1 0 349.333 3.552 20 0 EHADRM Cc1ccc2cc(Cl)cc(C(=O)N(C[C@@H](C)C(=O)[O-])C3CC3)c2n1 ZINC000649247216 975386910 /nfs/dbraw/zinc/38/69/10/975386910.db2.gz CANXISXLRLENLV-SNVBAGLBSA-N -1 0 346.814 3.522 20 0 EHADRM Cc1cc(C(=O)N(CCC(=O)[O-])Cc2ccccc2)cc(C)c1F ZINC000649352999 975406385 /nfs/dbraw/zinc/40/63/85/975406385.db2.gz AVVYLEBLWLYXEU-UHFFFAOYSA-N -1 0 329.371 3.560 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1C[C@@H]1C1CCCC1)c1ccc(Cl)cc1 ZINC000652063219 975463321 /nfs/dbraw/zinc/46/33/21/975463321.db2.gz GNKHGXVZKHMMHE-OAGGEKHMSA-N -1 0 335.831 3.798 20 0 EHADRM CC(C)OC(=O)CS[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001591682068 975474006 /nfs/dbraw/zinc/47/40/06/975474006.db2.gz GJNHOUQMSVDGMR-LBPRGKRZSA-N -1 0 336.331 3.516 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)CC1CCC(C(F)(F)F)CC1)C(=O)[O-] ZINC000652079250 975475712 /nfs/dbraw/zinc/47/57/12/975475712.db2.gz ATOABXZREVFWIU-MCIGGMRASA-N -1 0 337.382 3.751 20 0 EHADRM CC(C)O[C@@H](c1nc(-c2ccc(C(=O)[O-])cc2)no1)c1ccccc1 ZINC001591686046 975489962 /nfs/dbraw/zinc/48/99/62/975489962.db2.gz GQZUCWYAROKRPK-MRXNPFEDSA-N -1 0 338.363 3.949 20 0 EHADRM CC(C)O[C@H](Cn1nc(C(=O)[O-])c2c1CCCC2)c1ccccc1 ZINC001591686414 975495461 /nfs/dbraw/zinc/49/54/61/975495461.db2.gz LKCJFDHIRNXSCL-QGZVFWFLSA-N -1 0 328.412 3.626 20 0 EHADRM C[C@@H]1CN(C(=O)CCc2ccccc2C(=O)[O-])CCc2ccccc21 ZINC000652122366 975508114 /nfs/dbraw/zinc/50/81/14/975508114.db2.gz SRRZWGHWFTYBTP-OAHLLOKOSA-N -1 0 337.419 3.506 20 0 EHADRM O=C([O-])[C@H](c1ccsc1)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000652429617 975528796 /nfs/dbraw/zinc/52/87/96/975528796.db2.gz FOYXJXMQBAUXNZ-CABCVRRESA-N -1 0 337.828 3.601 20 0 EHADRM CC(C)CO[C@H]1CCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000652441084 975534904 /nfs/dbraw/zinc/53/49/04/975534904.db2.gz NNARMWZRSJNKAK-LSDHHAIUSA-N -1 0 346.254 3.866 20 0 EHADRM Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000274571670 1014266147 /nfs/dbraw/zinc/26/61/47/1014266147.db2.gz FRMROUQBYASRNS-SSDOTTSWSA-N -1 0 325.771 3.657 20 0 EHADRM C[C@@H]1CCN(Cc2csc(-c3ccc(F)cc3)n2)[C@@H](C(=O)[O-])C1 ZINC000652502904 975565673 /nfs/dbraw/zinc/56/56/73/975565673.db2.gz SNPZIRNTKUKNFI-IAQYHMDHSA-N -1 0 334.416 3.634 20 0 EHADRM CCn1cc(CN(Cc2c(Cl)cccc2C(=O)[O-])C(C)C)cn1 ZINC000652507895 975568326 /nfs/dbraw/zinc/56/83/26/975568326.db2.gz QQPLVUNEYHVZFK-UHFFFAOYSA-N -1 0 335.835 3.665 20 0 EHADRM CCCN(CCc1cccc(F)c1)C(=O)c1cccc(CC(=O)[O-])c1 ZINC000653642316 975611083 /nfs/dbraw/zinc/61/10/83/975611083.db2.gz WIYFUCBCGSFAGC-UHFFFAOYSA-N -1 0 343.398 3.548 20 0 EHADRM COc1ccc2c(c1)[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1F)CCC2 ZINC000655539501 975622595 /nfs/dbraw/zinc/62/25/95/975622595.db2.gz PCYHJGZUNUMZGS-AWEZNQCLSA-N -1 0 343.354 3.591 20 0 EHADRM Cc1ccc(-c2cccc(CNC(=O)CCCCC(=O)[O-])c2)cc1 ZINC000655549501 975626427 /nfs/dbraw/zinc/62/64/27/975626427.db2.gz VVPROMDDYFIHLJ-UHFFFAOYSA-N -1 0 325.408 3.923 20 0 EHADRM Cc1nc(-c2ccc([C@@H](C)NC(=O)CCCCC(=O)[O-])cc2)cs1 ZINC000655553417 975628252 /nfs/dbraw/zinc/62/82/52/975628252.db2.gz LGWDWXWJKVKSOO-GFCCVEGCSA-N -1 0 346.452 3.941 20 0 EHADRM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)CCCCC(=O)[O-] ZINC000655555258 975629542 /nfs/dbraw/zinc/62/95/42/975629542.db2.gz VOLQNZREUCHKFV-HNNXBMFYSA-N -1 0 332.444 3.957 20 0 EHADRM COc1ccc(-c2csc(CNC(=O)C[C@@H](C)CC(=O)[O-])c2)cc1 ZINC000656234319 975648812 /nfs/dbraw/zinc/64/88/12/975648812.db2.gz ZKACPIDRACVSOY-GFCCVEGCSA-N -1 0 347.436 3.541 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)CCC2CCCCCC2)Cc2ccccc21 ZINC000656237274 975651920 /nfs/dbraw/zinc/65/19/20/975651920.db2.gz QADHJCLQQVITAL-SFHVURJKSA-N -1 0 329.440 3.948 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cc1 ZINC000656474345 975658149 /nfs/dbraw/zinc/65/81/49/975658149.db2.gz CSGASFNEQAAWLZ-OCBCSQNSSA-N -1 0 339.391 3.626 20 0 EHADRM Cc1cccc2nc(N3C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C3)sc21 ZINC000656783036 975704798 /nfs/dbraw/zinc/70/47/98/975704798.db2.gz ZWUDYCRCJAUQBE-ZJUUUORDSA-N -1 0 344.358 3.694 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)C2CCC(C3CC3)CC2)cc1 ZINC000659117821 975713094 /nfs/dbraw/zinc/71/30/94/975713094.db2.gz NUEPXGSPHLEIOX-JFUPDXTOSA-N -1 0 345.439 3.544 20 0 EHADRM CCOc1ccc([C@H]2CCCN2C(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC000659119240 975715970 /nfs/dbraw/zinc/71/59/70/975715970.db2.gz RPQOVFUTRHVIBP-MRXNPFEDSA-N -1 0 343.379 3.662 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)C(C)(C)CC(F)(F)F)cc1)C(=O)[O-] ZINC000659148384 975749016 /nfs/dbraw/zinc/74/90/16/975749016.db2.gz YWSMHTRHTQPMFW-SNVBAGLBSA-N -1 0 331.334 3.867 20 0 EHADRM CC[C@](CNC(=O)c1ccc(C2CC2)cc1)(C(=O)[O-])c1ccccc1 ZINC000659158416 975756329 /nfs/dbraw/zinc/75/63/29/975756329.db2.gz ASSQDPKPKLRTCY-OAQYLSRUSA-N -1 0 337.419 3.726 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[C@H]1c1c(C)cccc1C ZINC000659167096 975765556 /nfs/dbraw/zinc/76/55/56/975765556.db2.gz KRBABCLJSHYPSB-HNNXBMFYSA-N -1 0 327.380 3.880 20 0 EHADRM CC(C)Oc1c(NC(=O)N[C@H](C)C2CCCC2)cccc1C(=O)[O-] ZINC001591746903 975787485 /nfs/dbraw/zinc/78/74/85/975787485.db2.gz UJWLSPMCQXSQJR-GFCCVEGCSA-N -1 0 334.416 3.872 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2csc3c2CCCC3)[C@@H]2CCCC[C@@H]12 ZINC000659195875 975799787 /nfs/dbraw/zinc/79/97/87/975799787.db2.gz RTBQMQUYBUGQMR-JGGQBBKZSA-N -1 0 347.480 3.732 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2ccccc2F)CC2CC2)s1 ZINC000659201931 975810379 /nfs/dbraw/zinc/81/03/79/975810379.db2.gz XKQHNVQPAZTCOF-UHFFFAOYSA-N -1 0 333.384 3.638 20 0 EHADRM O=C([O-])C[C@@H](CNC(=O)CSc1ccc2ccccc2c1)C1CC1 ZINC000659204949 975814478 /nfs/dbraw/zinc/81/44/78/975814478.db2.gz PRKMOXLODIQZME-INIZCTEOSA-N -1 0 343.448 3.549 20 0 EHADRM O=C([O-])C[C@@H](CNC(=O)c1ccc(-c2ccccc2Cl)o1)C1CC1 ZINC000659207918 975817971 /nfs/dbraw/zinc/81/79/71/975817971.db2.gz VUHGFCQGVVNDNM-LBPRGKRZSA-N -1 0 347.798 3.831 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC000659208267 975818509 /nfs/dbraw/zinc/81/85/09/975818509.db2.gz FTMKDDYKDSYIQR-OAHLLOKOSA-N -1 0 347.480 3.976 20 0 EHADRM C[C@@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)c1cc2ccccc2o1 ZINC000659393005 975844270 /nfs/dbraw/zinc/84/42/70/975844270.db2.gz OMPYATYSSPXHIV-CYBMUJFWSA-N -1 0 344.411 3.780 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 ZINC000659772015 975870109 /nfs/dbraw/zinc/87/01/09/975870109.db2.gz HJTNTABYSTWXAR-UHFFFAOYSA-N -1 0 347.308 3.562 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1csc(Cl)n1 ZINC001591772023 975902708 /nfs/dbraw/zinc/90/27/08/975902708.db2.gz XBNADZPRAZYQSZ-UHFFFAOYSA-N -1 0 340.788 3.534 20 0 EHADRM CC(C)CCc1ccccc1NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000663114059 975924766 /nfs/dbraw/zinc/92/47/66/975924766.db2.gz BYFYCIUWCYEVRB-UHFFFAOYSA-N -1 0 341.407 3.991 20 0 EHADRM CC(C)Sc1c(Cl)cccc1NC(=O)NCC1(C(=O)[O-])CC1 ZINC000663347403 975946824 /nfs/dbraw/zinc/94/68/24/975946824.db2.gz ZAQZNIYWAFYNOK-UHFFFAOYSA-N -1 0 342.848 3.827 20 0 EHADRM Cc1cccc(CN(Cc2ccco2)C(=O)NCCCCC(=O)[O-])c1 ZINC000666558274 975972189 /nfs/dbraw/zinc/97/21/89/975972189.db2.gz NIUPVAJGMGTIRS-UHFFFAOYSA-N -1 0 344.411 3.555 20 0 EHADRM CSc1cc(C)c(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])o1 ZINC000668272294 975979241 /nfs/dbraw/zinc/97/92/41/975979241.db2.gz BSUCMIIAPARTJM-FZMZJTMJSA-N -1 0 333.409 3.502 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1)C(=O)[O-] ZINC000668270026 975979444 /nfs/dbraw/zinc/97/94/44/975979444.db2.gz XWVIUPWCAQZZSY-GWCFXTLKSA-N -1 0 345.361 3.756 20 0 EHADRM CSc1cc(C)c(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])o1 ZINC000668272293 975979696 /nfs/dbraw/zinc/97/96/96/975979696.db2.gz BSUCMIIAPARTJM-BXUZGUMPSA-N -1 0 333.409 3.502 20 0 EHADRM CC(C)(c1ccc(C(=O)N[C@H](CC2CC2)C(=O)[O-])cc1)C(F)(F)F ZINC000668281272 975983423 /nfs/dbraw/zinc/98/34/23/975983423.db2.gz QSQRELVVIPXRQU-CYBMUJFWSA-N -1 0 343.345 3.510 20 0 EHADRM CCCC[C@@H](NC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1)C(=O)[O-] ZINC000668282343 975984405 /nfs/dbraw/zinc/98/44/05/975984405.db2.gz QEZIAKNXIBMCBA-CYBMUJFWSA-N -1 0 345.361 3.900 20 0 EHADRM Cc1ccc([C@H]2CCN(C(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)C2)c(C)c1 ZINC000668322457 975997292 /nfs/dbraw/zinc/99/72/92/975997292.db2.gz WGKBAQUFTBMPJD-ULQDDVLXSA-N -1 0 329.440 3.510 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CC[C@H](c2ccc(C)cc2C)C1 ZINC000668322098 975997799 /nfs/dbraw/zinc/99/77/99/975997799.db2.gz KYOJAMBTGPPCNJ-AWEZNQCLSA-N -1 0 327.380 3.533 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2c(C)oc(C)c2C)cc1 ZINC000671666993 976012085 /nfs/dbraw/zinc/01/20/85/976012085.db2.gz PVOOWVSNRDNJFO-HNNXBMFYSA-N -1 0 347.436 3.873 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)C[C@@H]2CCC[C@@H](C)C2)cc1 ZINC000675947885 976018746 /nfs/dbraw/zinc/01/87/46/976018746.db2.gz KRMLJFIBWBTQNM-CPUCHLNUSA-N -1 0 333.428 3.544 20 0 EHADRM CCSc1ccccc1C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000679101341 976043680 /nfs/dbraw/zinc/04/36/80/976043680.db2.gz JXPXYKPCFGHIJM-ZDUSSCGKSA-N -1 0 335.469 3.762 20 0 EHADRM Cc1[nH]c2c(cccc2C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1C ZINC000679103886 976045280 /nfs/dbraw/zinc/04/52/80/976045280.db2.gz LULDWFOXWNDYHZ-CQSZACIVSA-N -1 0 342.439 3.748 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])[C@H]1COC[C@H]1c1ccccc1 ZINC001625779032 1014302465 /nfs/dbraw/zinc/30/24/65/1014302465.db2.gz HLVFKCQNVPGDQV-STQMWFEESA-N -1 0 335.762 3.553 20 0 EHADRM Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000682621022 976076182 /nfs/dbraw/zinc/07/61/82/976076182.db2.gz LDDBGHSGWQBCAP-UHFFFAOYSA-N -1 0 343.427 3.822 20 0 EHADRM O=C([O-])[C@@H](NCc1ccc(Cl)c(F)c1)c1cc(F)ccc1F ZINC000683175571 976080143 /nfs/dbraw/zinc/08/01/43/976080143.db2.gz XFZLOVIEWYHPRN-AWEZNQCLSA-N -1 0 329.705 3.673 20 0 EHADRM CC[C@@H](C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccc(F)cc1 ZINC000683323538 976086241 /nfs/dbraw/zinc/08/62/41/976086241.db2.gz CKJZJMOGPVMFQS-GOEBONIOSA-N -1 0 335.419 3.669 20 0 EHADRM Cc1cccc2sc(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)c(Cl)c21 ZINC000684771921 976092078 /nfs/dbraw/zinc/09/20/78/976092078.db2.gz PZWMGEFOKQKLFC-ZJUUUORDSA-N -1 0 337.828 3.846 20 0 EHADRM CC(C)Sc1ccccc1C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001591829696 976095677 /nfs/dbraw/zinc/09/56/77/976095677.db2.gz YQWMTEZNYXCQTP-AUUYWEPGSA-N -1 0 347.480 3.904 20 0 EHADRM CC(C)c1[nH]c(CNc2cccc(N3CCCC3=O)c2)cc1C(=O)[O-] ZINC001591918028 976380939 /nfs/dbraw/zinc/38/09/39/976380939.db2.gz KQAMMMGKCCOGFY-UHFFFAOYSA-N -1 0 341.411 3.575 20 0 EHADRM CC(C)c1cc(NC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)ncn1 ZINC001591935935 976456339 /nfs/dbraw/zinc/45/63/39/976456339.db2.gz MHMPPNISMAWUJC-HNNXBMFYSA-N -1 0 325.412 3.830 20 0 EHADRM CC(C)c1ccc(-c2nc(C(=O)N[C@H](C(=O)[O-])C(C)C)cs2)cc1 ZINC001591936181 976458469 /nfs/dbraw/zinc/45/84/69/976458469.db2.gz SDLYQMLZQUPKFJ-HNNXBMFYSA-N -1 0 346.452 3.773 20 0 EHADRM CC(C)c1ccc(-c2noc(C34CCC(C(=O)[O-])(CC3)CC4)n2)cn1 ZINC001591936447 976461342 /nfs/dbraw/zinc/46/13/42/976461342.db2.gz ZQAAMONETDYFOV-UHFFFAOYSA-N -1 0 341.411 3.932 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)cc1 ZINC001591948776 976502034 /nfs/dbraw/zinc/50/20/34/976502034.db2.gz KDMZPQZJBWUROX-LBSSEHPESA-N -1 0 341.451 3.829 20 0 EHADRM CC(C)c1ccc(CNC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1 ZINC001591957516 976530431 /nfs/dbraw/zinc/53/04/31/976530431.db2.gz MBZZRWKMZGENNX-UHFFFAOYSA-N -1 0 344.386 3.898 20 0 EHADRM CC(C)c1ccc(NC(=O)[C@H]2Cc3ccc(F)cc32)c(C(=O)[O-])c1 ZINC001591962331 976546955 /nfs/dbraw/zinc/54/69/55/976546955.db2.gz IKHXETATODQBDC-HNNXBMFYSA-N -1 0 327.355 3.926 20 0 EHADRM CC(C)c1ccc(NC(=O)/C=C/c2ccc(O)cc2)c(C(=O)[O-])c1 ZINC001591963023 976551997 /nfs/dbraw/zinc/55/19/97/976551997.db2.gz SPYFOTJSHIGJNG-BJMVGYQFSA-N -1 0 325.364 3.866 20 0 EHADRM CC(C)c1ccc(NC(=O)Nc2ccn(CC(=O)[O-])n2)c(C(C)C)c1 ZINC001591966271 976562901 /nfs/dbraw/zinc/56/29/01/976562901.db2.gz ZAXDJDROOSAPTN-UHFFFAOYSA-N -1 0 344.415 3.859 20 0 EHADRM CC(C)c1ccc(OCC(=O)Nc2cnc(C(=O)[O-])c(Cl)c2)cc1 ZINC001591973577 976577378 /nfs/dbraw/zinc/57/73/78/976577378.db2.gz BLWINKKVTHTUPN-UHFFFAOYSA-N -1 0 348.786 3.574 20 0 EHADRM CC(C)c1ccccc1OCC(=O)OCc1ccccc1CC(=O)[O-] ZINC001591997682 976644330 /nfs/dbraw/zinc/64/43/30/976644330.db2.gz HPJNIKQMURZEAF-UHFFFAOYSA-N -1 0 342.391 3.559 20 0 EHADRM CC(C)c1ccccc1OCCC(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC001592003654 976664598 /nfs/dbraw/zinc/66/45/98/976664598.db2.gz DPNGOLDHZQTTCW-IBGZPJMESA-N -1 0 347.455 3.729 20 0 EHADRM CC(C)c1ccoc1C(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC001592004998 976670537 /nfs/dbraw/zinc/67/05/37/976670537.db2.gz ZQGVXPWXEGLQKO-UHFFFAOYSA-N -1 0 329.396 3.910 20 0 EHADRM CC(C)c1ccccc1OCCC(=O)N[C@H](CC(C)(C)C)C(=O)[O-] ZINC001592004984 976670864 /nfs/dbraw/zinc/67/08/64/976670864.db2.gz ZEKDINXCXZGGLZ-OAHLLOKOSA-N -1 0 335.444 3.585 20 0 EHADRM CC(C)c1nc([C@H]2CCCCN2Cc2ccc(C(=O)[O-])cc2F)no1 ZINC001592016179 976701434 /nfs/dbraw/zinc/70/14/34/976701434.db2.gz WLMJFXIWXCWTHI-OAHLLOKOSA-N -1 0 347.390 3.758 20 0 EHADRM CC(C)c1nc(NC(=O)[C@H]2[C@H](c3ccccc3)[C@@H]2C)sc1C(=O)[O-] ZINC001592022635 976721543 /nfs/dbraw/zinc/72/15/43/976721543.db2.gz RTBKZJFTZCMFHF-WCFLWFBJSA-N -1 0 344.436 3.953 20 0 EHADRM CC(C)c1nc(NC(=O)c2cccc3ncccc32)sc1C(=O)[O-] ZINC001592028412 976727190 /nfs/dbraw/zinc/72/71/90/976727190.db2.gz GKSGLZOFZNJZMC-UHFFFAOYSA-N -1 0 341.392 3.765 20 0 EHADRM CC(C)c1nc2cc(NC(=O)N3C[C@H](C)[C@@](C)(C(=O)[O-])C3)ccc2o1 ZINC001592030287 976735518 /nfs/dbraw/zinc/73/55/18/976735518.db2.gz JEHUSHJRLFLNJS-VOJFVSQTSA-N -1 0 345.399 3.526 20 0 EHADRM CC(C)c1ncsc1C(=O)O[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001592042337 976767932 /nfs/dbraw/zinc/76/79/32/976767932.db2.gz INOWOPVYXCCQHK-GFCCVEGCSA-N -1 0 339.800 3.903 20 0 EHADRM CC(C)c1sc(NC(=O)c2ccc3ccncc3c2)nc1C(=O)[O-] ZINC001592114419 976907238 /nfs/dbraw/zinc/90/72/38/976907238.db2.gz ADYGWVCUBFPUNB-UHFFFAOYSA-N -1 0 341.392 3.765 20 0 EHADRM CC(C)c1scnc1NC(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001592116626 976916340 /nfs/dbraw/zinc/91/63/40/976916340.db2.gz CNJWPPQVWYXHIS-UHFFFAOYSA-N -1 0 339.461 3.813 20 0 EHADRM CC(C)n1ncc2c1[C@@H](N[C@@H](C(=O)[O-])c1ccccc1Cl)CCC2 ZINC001592157037 977031854 /nfs/dbraw/zinc/03/18/54/977031854.db2.gz DFCKJJVLRQFTDF-JKSUJKDBSA-N -1 0 347.846 3.910 20 0 EHADRM C[C@H](C1CCCCC1)N(C)C(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001592181640 977110003 /nfs/dbraw/zinc/11/00/03/977110003.db2.gz PUNNGKAZRWNTBR-ZTQAJYAQSA-N -1 0 329.440 3.672 20 0 EHADRM C[C@H](/C=C/C(=O)[O-])NC(=O)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001592202166 977216017 /nfs/dbraw/zinc/21/60/17/977216017.db2.gz BVFQNWSBDJDTAS-RBBJQHAHSA-N -1 0 339.391 3.586 20 0 EHADRM C[C@@H](/C=C/C(=O)[O-])NC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC001592203153 977225625 /nfs/dbraw/zinc/22/56/25/977225625.db2.gz YDPQAVFOWFOPTR-GETOMWPZSA-N -1 0 346.386 3.661 20 0 EHADRM C[C@@H](CC(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1)CC(C)(C)C ZINC001592236755 977445366 /nfs/dbraw/zinc/44/53/66/977445366.db2.gz RUMMALXKBRLGJL-LBPRGKRZSA-N -1 0 335.419 3.871 20 0 EHADRM C[C@H](CC(=O)N1CCCc2ccc(C(=O)[O-])cc21)c1ccc(F)cc1 ZINC001592237366 977448280 /nfs/dbraw/zinc/44/82/80/977448280.db2.gz YOSODBLNVSLTES-CYBMUJFWSA-N -1 0 341.382 3.997 20 0 EHADRM C[C@@H](CC(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1)c1ccccc1F ZINC001592245676 977472054 /nfs/dbraw/zinc/47/20/54/977472054.db2.gz JWQALPUPZAYEGH-DJJJIMSYSA-N -1 0 335.419 3.859 20 0 EHADRM C[C@H](CC(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-])c1ccco1 ZINC001592262287 977508597 /nfs/dbraw/zinc/50/85/97/977508597.db2.gz UMCIQEXMFORNLE-MRVPVSSYSA-N -1 0 325.723 3.903 20 0 EHADRM C[C@H](CC(=O)Nc1c(F)ccc(F)c1C(=O)[O-])c1ccccc1F ZINC001592262642 977509397 /nfs/dbraw/zinc/50/93/97/977509397.db2.gz XXPSBWLRHLEDRA-SECBINFHSA-N -1 0 337.297 3.934 20 0 EHADRM CC(C)c1ccc(N[C@@H](C)CC(=O)Nc2cccc(C(=O)[O-])c2)cn1 ZINC001592274445 977548051 /nfs/dbraw/zinc/54/80/51/977548051.db2.gz OEHPURGXFAGPIX-ZDUSSCGKSA-N -1 0 341.411 3.732 20 0 EHADRM C[C@H](CC(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2)CC(C)(C)C ZINC001592278505 977565417 /nfs/dbraw/zinc/56/54/17/977565417.db2.gz XMRSKWCSNKLGME-MNOVXSKESA-N -1 0 338.473 3.734 20 0 EHADRM CCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000063181096 1014411680 /nfs/dbraw/zinc/41/16/80/1014411680.db2.gz BTDATYYWEYLPJR-UHFFFAOYSA-N -1 0 345.342 3.905 20 0 EHADRM C[C@](CC(=O)[O-])(NCc1csc(C2CC2)n1)c1cccc(F)c1 ZINC001592330281 977765180 /nfs/dbraw/zinc/76/51/80/977765180.db2.gz SJSAZCRSQUYCQI-QGZVFWFLSA-N -1 0 334.416 3.639 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@@]1(C)C(=O)[O-])c1cc2ccccc2s1 ZINC000654819747 1014438046 /nfs/dbraw/zinc/43/80/46/1014438046.db2.gz ALHFIJCHZGDPBG-GTNSWQLSSA-N -1 0 332.425 3.611 20 0 EHADRM C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)Oc1ccccc1C(=O)[O-] ZINC001592438550 978083650 /nfs/dbraw/zinc/08/36/50/978083650.db2.gz RUAFGGZRFGVHTH-NSHDSACASA-N -1 0 346.766 3.853 20 0 EHADRM C[C@@H](CC(C)(C)C)C(=O)N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC001592439790 978093963 /nfs/dbraw/zinc/09/39/63/978093963.db2.gz PGHUQFYXKGTPRX-NSHDSACASA-N -1 0 338.473 3.620 20 0 EHADRM C[C@@H](CC(C)(C)C)NC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001592444550 978103599 /nfs/dbraw/zinc/10/35/99/978103599.db2.gz NTKWPZVQNUGHQI-ZDUSSCGKSA-N -1 0 347.459 3.931 20 0 EHADRM Cn1cccc1[C@@H]1CCCN1Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000034872616 1014456595 /nfs/dbraw/zinc/45/65/95/1014456595.db2.gz IHVDWUHWQBMTSN-HNNXBMFYSA-N -1 0 348.406 3.757 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)Nc1c2cccnc2n(C)c1C(=O)[O-] ZINC001592465622 978207565 /nfs/dbraw/zinc/20/75/65/978207565.db2.gz HOCKWOHPIQHMLR-GFCCVEGCSA-N -1 0 343.427 3.817 20 0 EHADRM C[C@@H](CC1CCCCC1)C(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001592465651 978207867 /nfs/dbraw/zinc/20/78/67/978207867.db2.gz IJTMSPHHNUUIMT-ZDUSSCGKSA-N -1 0 343.427 3.666 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)Nc1cc(CCC(=O)[O-])ccc1O ZINC001592465905 978209364 /nfs/dbraw/zinc/20/93/64/978209364.db2.gz OIQJEJNISQPHSC-CYBMUJFWSA-N -1 0 333.428 3.954 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-] ZINC001592466343 978212425 /nfs/dbraw/zinc/21/24/25/978212425.db2.gz WQPDRLXWZPFMPN-RHSMWYFYSA-N -1 0 349.446 3.792 20 0 EHADRM C[C@H](CCC(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC001592471467 978232037 /nfs/dbraw/zinc/23/20/37/978232037.db2.gz SEGUJQDDPJKXFD-VQIMIIECSA-N -1 0 339.435 3.773 20 0 EHADRM C[C@H](CCC(C)(C)C)C(=O)NCc1ccc(Cl)c(C(=O)[O-])n1 ZINC001592478895 978255520 /nfs/dbraw/zinc/25/55/20/978255520.db2.gz WXPSPOKLDUWWEJ-SNVBAGLBSA-N -1 0 326.824 3.512 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1 ZINC001592491806 978284850 /nfs/dbraw/zinc/28/48/50/978284850.db2.gz NBSGRGHOPNKBAO-FTRWYGJKSA-N -1 0 331.456 3.795 20 0 EHADRM CC(C)N(C(=O)CCCNC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000736455694 978336265 /nfs/dbraw/zinc/33/62/65/978336265.db2.gz QXKMZGXIPGENOZ-UHFFFAOYSA-N -1 0 333.215 3.783 20 0 EHADRM C[C@@H](OC(=O)[C@@H](C)CCOc1ccccc1)c1cc(C(=O)[O-])co1 ZINC001592538826 978416587 /nfs/dbraw/zinc/41/65/87/978416587.db2.gz XNYDQMLPPWKOPE-QWHCGFSZSA-N -1 0 332.352 3.687 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC001592539847 978419926 /nfs/dbraw/zinc/41/99/26/978419926.db2.gz CIXOKDAVIJKQMJ-GFCCVEGCSA-N -1 0 348.345 3.766 20 0 EHADRM CCc1nc2ccccc2c(C(=O)Nc2ccc(CC(=O)[O-])cc2)c1C ZINC000746360043 978683556 /nfs/dbraw/zinc/68/35/56/978683556.db2.gz OGPDQGYTMNQGRK-UHFFFAOYSA-N -1 0 348.402 3.985 20 0 EHADRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)/C=C\c1cccc(F)c1 ZINC000746377827 978684805 /nfs/dbraw/zinc/68/48/05/978684805.db2.gz WYYJGTHLVOAWAK-TWGQIWQCSA-N -1 0 347.773 3.606 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000761617821 978711940 /nfs/dbraw/zinc/71/19/40/978711940.db2.gz FJJUVKFZIBMZTQ-CXAGYDPISA-N -1 0 345.826 3.803 20 0 EHADRM C/C(=C/c1cccc(Cl)c1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000761689672 978714632 /nfs/dbraw/zinc/71/46/32/978714632.db2.gz OFIYRDBRSUOANL-WQLSENKSSA-N -1 0 329.783 3.758 20 0 EHADRM CCCCC[C@H](NC(=O)C[C@H](C)c1ccc(F)cc1F)C(=O)[O-] ZINC000761836988 978715095 /nfs/dbraw/zinc/71/50/95/978715095.db2.gz OZZCYYIBGMXQFX-NHYWBVRUSA-N -1 0 327.371 3.608 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)CCc1cccc(Cl)c1 ZINC000766842548 978725961 /nfs/dbraw/zinc/72/59/61/978725961.db2.gz DXYXPFXBKMPHMW-UHFFFAOYSA-N -1 0 329.783 3.560 20 0 EHADRM CC[C@H](CNC(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccccc1 ZINC000811814149 978857830 /nfs/dbraw/zinc/85/78/30/978857830.db2.gz QSSUSGAVEYJUAN-GFCCVEGCSA-N -1 0 331.799 3.962 20 0 EHADRM CN(Cc1cccc(Cl)c1)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811814338 978857893 /nfs/dbraw/zinc/85/78/93/978857893.db2.gz UWBSYWGGRSWQMJ-UHFFFAOYSA-N -1 0 338.190 3.964 20 0 EHADRM Cc1ccccc1[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000811818019 978862573 /nfs/dbraw/zinc/86/25/73/978862573.db2.gz DQVGANDAUNLXDY-CQSZACIVSA-N -1 0 343.810 3.976 20 0 EHADRM CCC(CC)[C@H](NC(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccccc1 ZINC000828854837 978989016 /nfs/dbraw/zinc/98/90/16/978989016.db2.gz WLRWGBCOWDKREU-AEFFLSMTSA-N -1 0 332.444 3.813 20 0 EHADRM Cc1ccc([C@@H](C)C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])o1 ZINC000832925448 979056389 /nfs/dbraw/zinc/05/63/89/979056389.db2.gz ZUZWUQWCVSHCAI-CZUORRHYSA-N -1 0 329.396 3.660 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)O[C@H](C)c1nc(C(=O)[O-])co1 ZINC001595016062 979068373 /nfs/dbraw/zinc/06/83/73/979068373.db2.gz QMXCKBXFFSLHKX-VXGBXAGGSA-N -1 0 347.367 3.570 20 0 EHADRM CC[C@H](C)c1ccccc1OS(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001595016117 979069377 /nfs/dbraw/zinc/06/93/77/979069377.db2.gz RPRVYWHHLNOCDU-JTQLQIEISA-N -1 0 338.381 3.567 20 0 EHADRM C[C@@H](CNC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21)C(C)(C)C ZINC001592672260 979075767 /nfs/dbraw/zinc/07/57/67/979075767.db2.gz AZQWDQBBZWGASS-XJKSGUPXSA-N -1 0 346.471 3.786 20 0 EHADRM CC[C@H](C)c1nnc(N2CCC(C(=O)[O-])CC2)n1C[C@H]1CCC[C@H]1C ZINC001595017139 979077084 /nfs/dbraw/zinc/07/70/84/979077084.db2.gz COAAAWRWZOPJFI-SQWLQELKSA-N -1 0 348.491 3.529 20 0 EHADRM CC[C@H](C)c1nnc(N2CCC[C@H](C(=O)[O-])C2)n1C[C@H]1CCC[C@@H]1C ZINC001595018417 979090517 /nfs/dbraw/zinc/09/05/17/979090517.db2.gz RXCJZACLMXXFHE-JONQDZQNSA-N -1 0 348.491 3.529 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1Cn1cc(-c2ccc(F)cc2)oc1=S ZINC000833211179 979118955 /nfs/dbraw/zinc/11/89/55/979118955.db2.gz FCYLVBUBFWDRKN-ZDUSSCGKSA-N -1 0 336.388 3.513 20 0 EHADRM CC[C@@H](C)n1ncc(NC(=O)Nc2cccc(C(=O)[O-])c2OC)c1C ZINC001595026428 979135591 /nfs/dbraw/zinc/13/55/91/979135591.db2.gz IVPOVFLMMBEJNR-SNVBAGLBSA-N -1 0 346.387 3.513 20 0 EHADRM C[C@H](CNC(=O)c1ccccc1C(=O)[O-])c1nc2ccccc2s1 ZINC001592699033 979157276 /nfs/dbraw/zinc/15/72/76/979157276.db2.gz WOJJVCUYPDOJCX-LLVKDONJSA-N -1 0 340.404 3.528 20 0 EHADRM O=C([O-])c1ccc(OC(=O)c2c(F)cccc2Br)cc1 ZINC000833321771 979157549 /nfs/dbraw/zinc/15/75/49/979157549.db2.gz MJOHIWXLQYMWII-UHFFFAOYSA-N -1 0 339.116 3.506 20 0 EHADRM CC[C@@H](CC(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1)c1ccc(OC)cc1 ZINC001595037164 979204378 /nfs/dbraw/zinc/20/43/78/979204378.db2.gz RDCXHSFBAZDPNR-AVYPCKFXSA-N -1 0 347.455 3.729 20 0 EHADRM C[C@@H](CNc1ncc(C(=O)[O-])cc1Cl)c1ccc(F)cc1F ZINC001592728158 979235464 /nfs/dbraw/zinc/23/54/64/979235464.db2.gz AZTCFYHBHZSCJA-QMMMGPOBSA-N -1 0 326.730 3.927 20 0 EHADRM CC(C)C(=O)c1ccc([C@@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000836717928 979248741 /nfs/dbraw/zinc/24/87/41/979248741.db2.gz PPTDIISYOSXLLD-CYBMUJFWSA-N -1 0 339.391 3.966 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)CC(C)(C)CC(=O)c1ccccc1 ZINC001595049592 979273899 /nfs/dbraw/zinc/27/38/99/979273899.db2.gz WXJAEQNATCUGMT-UHFFFAOYSA-N -1 0 347.455 3.825 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(N2CCCCCC2)cc1 ZINC001595053227 979284316 /nfs/dbraw/zinc/28/43/16/979284316.db2.gz HATODFZRTIFFES-UHFFFAOYSA-N -1 0 346.471 3.830 20 0 EHADRM CCC(CC)(CCSc1nncn1-c1ccc(OC)cc1)C(=O)[O-] ZINC001595062733 979320268 /nfs/dbraw/zinc/32/02/68/979320268.db2.gz FLGXQYGFBRBQBK-UHFFFAOYSA-N -1 0 349.456 3.649 20 0 EHADRM CCC(CC)(CNC(=O)Nc1c2c(cc3c1CCC3)CCC2)C(=O)[O-] ZINC001595070301 979338127 /nfs/dbraw/zinc/33/81/27/979338127.db2.gz FECOYINXTLGACW-UHFFFAOYSA-N -1 0 344.455 3.677 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc(F)cc1C(C)(F)F)C(=O)[O-] ZINC001595071354 979341085 /nfs/dbraw/zinc/34/10/85/979341085.db2.gz VNSWTLSSYNSMFS-UHFFFAOYSA-N -1 0 346.349 3.950 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)OC ZINC001595071387 979341170 /nfs/dbraw/zinc/34/11/70/979341170.db2.gz XCGRXFDRZKJXJP-UHFFFAOYSA-N -1 0 346.786 3.504 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(Cl)cc2ccc(C)nc21 ZINC000844157076 979345651 /nfs/dbraw/zinc/34/56/51/979345651.db2.gz VVQZARARISJMHR-KRWDZBQOSA-N -1 0 334.803 3.570 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C)cc1 ZINC001595121420 979490960 /nfs/dbraw/zinc/49/09/60/979490960.db2.gz LNGUAZJDZMDOCE-UKRRQHHQSA-N -1 0 333.428 3.579 20 0 EHADRM CCC(CC)n1ccc(C(=O)NC[C@H](C(=O)[O-])C2CCCCCC2)n1 ZINC001595121900 979498185 /nfs/dbraw/zinc/49/81/85/979498185.db2.gz DIHRBIPNVQMLMW-INIZCTEOSA-N -1 0 349.475 3.645 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N(Cc2ccc(F)cc2)CC2CC2)o1 ZINC000851595281 979508096 /nfs/dbraw/zinc/50/80/96/979508096.db2.gz NXCFIBLXCWXGFF-NTMALXAHSA-N -1 0 343.354 3.569 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001595125603 979508561 /nfs/dbraw/zinc/50/85/61/979508561.db2.gz BVISPXLIIXOIDT-HNNXBMFYSA-N -1 0 345.439 3.712 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccc(/C=C\C(=O)[O-])o2)o1 ZINC000851595826 979509474 /nfs/dbraw/zinc/50/94/74/979509474.db2.gz LJIACRCNOLIUMY-SUAHEPBESA-N -1 0 343.379 3.892 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1ccc(/C=C/C(=O)[O-])o1)c1ccccc1 ZINC000851595896 979509865 /nfs/dbraw/zinc/50/98/65/979509865.db2.gz RIUQVFRYHXNBEH-DPCFLFMUSA-N -1 0 327.380 3.895 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(/C=C/C(=O)[O-])o2)[C@@H](c2ccco2)C1 ZINC000851597451 979513906 /nfs/dbraw/zinc/51/39/06/979513906.db2.gz YFUJMHDSIVMCGH-RCOIXESOSA-N -1 0 329.352 3.584 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC001595126110 979515120 /nfs/dbraw/zinc/51/51/20/979515120.db2.gz QRINXLQRJYKGBZ-PBHICJAKSA-N -1 0 335.419 3.983 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC001595126326 979517332 /nfs/dbraw/zinc/51/73/32/979517332.db2.gz PQPRDUZGLCBJIW-INIZCTEOSA-N -1 0 349.475 3.564 20 0 EHADRM Cc1cc(C)cc([C@@H]2CCN(C(=O)c3ccc(/C=C/C(=O)[O-])o3)C2)c1 ZINC000851604093 979527325 /nfs/dbraw/zinc/52/73/25/979527325.db2.gz ZXHFHNKTOSHEQO-CSPWOOARSA-N -1 0 339.391 3.624 20 0 EHADRM CC1(C)[C@@H](c2ccccc2)CCN1C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851605287 979529155 /nfs/dbraw/zinc/52/91/55/979529155.db2.gz BMMUXEFSQHZWEB-PXUDHTSWSA-N -1 0 339.391 3.786 20 0 EHADRM CC(C)c1ccccc1C(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000851608164 979533706 /nfs/dbraw/zinc/53/37/06/979533706.db2.gz BAAXNTVLZSRZGE-NRFANRHFSA-N -1 0 337.419 3.679 20 0 EHADRM C[C@H](CSC(F)(F)F)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001592824848 979539141 /nfs/dbraw/zinc/53/91/41/979539141.db2.gz OUJDEGWVJSNBQD-SECBINFHSA-N -1 0 335.347 3.531 20 0 EHADRM C[C@@H](CSc1ccc(F)cc1)C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-] ZINC001592830082 979552309 /nfs/dbraw/zinc/55/23/09/979552309.db2.gz GZUIMJCEZXCWCZ-FZMZJTMJSA-N -1 0 341.448 3.560 20 0 EHADRM CC(C)c1ccc(C[C@H](C)NC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC001592833127 979568889 /nfs/dbraw/zinc/56/88/89/979568889.db2.gz BNCSIZZIPGZZSB-FPAJZGIOSA-N -1 0 341.407 3.862 20 0 EHADRM C[C@](Cc1ccc(Cl)cc1)(NC(=O)C1CCCCCC1)C(=O)[O-] ZINC001592839889 979601524 /nfs/dbraw/zinc/60/15/24/979601524.db2.gz XZQHVCAQQDSXNR-GOSISDBHSA-N -1 0 337.847 3.812 20 0 EHADRM CC[C@](CNC(=O)CCC1CCCCC1)(C(=O)[O-])c1ccccc1 ZINC001595140898 979603292 /nfs/dbraw/zinc/60/32/92/979603292.db2.gz VZHACUWPVDOHPS-HXUWFJFHSA-N -1 0 331.456 3.896 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001592840359 979605251 /nfs/dbraw/zinc/60/52/51/979605251.db2.gz YPXKFUNKGXOVHW-GFCCVEGCSA-N -1 0 343.814 3.817 20 0 EHADRM CC[C@@H](CNC(=O)Nc1ccccc1SC1CCCC1)C(=O)[O-] ZINC001595154127 979657442 /nfs/dbraw/zinc/65/74/42/979657442.db2.gz JOAYTNXJRCOSDW-LBPRGKRZSA-N -1 0 336.457 3.954 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)C(C)(C)Nc2ccccc2)cc1)C(=O)[O-] ZINC001592859150 979680363 /nfs/dbraw/zinc/68/03/63/979680363.db2.gz ZSAUIXVTQHYGRT-AWEZNQCLSA-N -1 0 340.423 3.779 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)Cc2cccc3ncccc23)cc1)C(=O)[O-] ZINC001592859616 979683529 /nfs/dbraw/zinc/68/35/29/979683529.db2.gz VXGDNPOSTGWOOL-AWEZNQCLSA-N -1 0 348.402 3.679 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccc(OC)cc1 ZINC000864101384 979684819 /nfs/dbraw/zinc/68/48/19/979684819.db2.gz YAZAFSPKZBDNQD-QGZVFWFLSA-N -1 0 327.380 3.583 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)/C=C\c2ccc(C(=O)[O-])o2)c1 ZINC000864102823 979687800 /nfs/dbraw/zinc/68/78/00/979687800.db2.gz ACLMBYKOMAVSDQ-SIJIIQCFSA-N -1 0 325.364 3.663 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N2CCC[C@H](CCF)C2)cc1)C(=O)[O-] ZINC001592860604 979692143 /nfs/dbraw/zinc/69/21/43/979692143.db2.gz KCMIKQSTYPDYJV-DZGCQCFKSA-N -1 0 336.407 3.553 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N2CCCC(F)(F)CC2)cc1)C(=O)[O-] ZINC001592860858 979693784 /nfs/dbraw/zinc/69/37/84/979693784.db2.gz MJNSZBHVXMHXOW-GFCCVEGCSA-N -1 0 340.370 3.603 20 0 EHADRM CC(C)Oc1ccc([C@@H](C)NC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC000864107043 979695134 /nfs/dbraw/zinc/69/51/34/979695134.db2.gz ZWWKRKFZRNRPEA-PRWOLLLXSA-N -1 0 343.379 3.656 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)/C=C/c2ccc(C(=O)[O-])o2)c1C ZINC000864111556 979702496 /nfs/dbraw/zinc/70/24/96/979702496.db2.gz HMHQNOFCBHWOQR-KAMXEHQASA-N -1 0 339.391 3.972 20 0 EHADRM CC(C)C[C@@H](CNC(=O)/C=C/c1ccsc1C(F)(F)F)C(=O)[O-] ZINC000864122583 979720020 /nfs/dbraw/zinc/72/00/20/979720020.db2.gz SWUNHWRUEJTMEV-UFFNRZRYSA-N -1 0 349.374 3.643 20 0 EHADRM O=C([O-])c1coc(/C=C/C(=O)N2CCC[C@H]2CCc2ccccc2)c1 ZINC000864125556 979725183 /nfs/dbraw/zinc/72/51/83/979725183.db2.gz XCVBWPZILSNVMK-DVQDXYAYSA-N -1 0 339.391 3.615 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2cccnc2C(F)F)cc1)C(=O)[O-] ZINC001592872854 979731600 /nfs/dbraw/zinc/73/16/00/979731600.db2.gz NABHWCOYOZKOEL-JTQLQIEISA-N -1 0 334.322 3.535 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N[C@H](C)c2ccccc2)cc1)C(=O)[O-] ZINC001592873804 979737466 /nfs/dbraw/zinc/73/74/66/979737466.db2.gz VLVBTKMSFRHNSJ-ZIAGYGMSSA-N -1 0 326.396 3.833 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)NCC[C@@]2(C)CC2(F)F)cc1)C(=O)[O-] ZINC001592873922 979738050 /nfs/dbraw/zinc/73/80/50/979738050.db2.gz WRTWLXOBXCTGIV-BZNIZROVSA-N -1 0 340.370 3.507 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)NCc2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC001592873835 979738211 /nfs/dbraw/zinc/73/82/11/979738211.db2.gz VTQHAEDXOHJTNJ-GFCCVEGCSA-N -1 0 346.814 3.925 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)C2([C@@H]3CCCCO3)CCC2)cc1)C(=O)[O-] ZINC000864135688 979738246 /nfs/dbraw/zinc/73/82/46/979738246.db2.gz OOZLFHIKCOXCCC-PBHICJAKSA-N -1 0 345.439 3.628 20 0 EHADRM CCC[C@H](C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1cccc(Cl)c1 ZINC000864140751 979745255 /nfs/dbraw/zinc/74/52/55/979745255.db2.gz DDYGHNBVPPGOMI-MAZHCROVSA-N -1 0 337.847 3.793 20 0 EHADRM CC[C@H](CNc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001595173108 979750091 /nfs/dbraw/zinc/75/00/91/979750091.db2.gz ZZUKKWLAHLWVOM-GFCCVEGCSA-N -1 0 345.374 3.536 20 0 EHADRM Cc1cc2c(CC(=O)N3CC[C@@H](C)C[C@@H]3C(=O)[O-])csc2s1 ZINC000864147213 979752882 /nfs/dbraw/zinc/75/28/82/979752882.db2.gz IAGVHGMDSNXOEC-NOZJJQNGSA-N -1 0 337.466 3.525 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC001592883212 979757882 /nfs/dbraw/zinc/75/78/82/979757882.db2.gz NEMIXVCLDZLZET-MLGOLLRUSA-N -1 0 337.847 3.668 20 0 EHADRM CSCCCCCCC(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000864149327 979758052 /nfs/dbraw/zinc/75/80/52/979758052.db2.gz KRFMKFWXRHRMMO-UHFFFAOYSA-N -1 0 327.421 3.705 20 0 EHADRM C[C@@H](Cc1ccc(Nc2c(F)c(F)nc(F)c2F)cc1)C(=O)[O-] ZINC001592883310 979759754 /nfs/dbraw/zinc/75/97/54/979759754.db2.gz PRZGFGVTFYHXAL-ZETCQYMHSA-N -1 0 328.265 3.645 20 0 EHADRM O=C([O-])CN(C(=O)/C=C/c1csc(C(F)(F)F)c1)C1CCCC1 ZINC000864158117 979770155 /nfs/dbraw/zinc/77/01/55/979770155.db2.gz AXBHOXRLPJYVCA-AATRIKPKSA-N -1 0 347.358 3.636 20 0 EHADRM C[C@](Cc1ccccc1)(NC(=O)c1ccc(C(=O)[O-])[nH]1)c1ccccc1 ZINC001592890682 979779028 /nfs/dbraw/zinc/77/90/28/979779028.db2.gz HHRISLGKWQMEPL-OAQYLSRUSA-N -1 0 348.402 3.601 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001592896270 979795643 /nfs/dbraw/zinc/79/56/43/979795643.db2.gz KFZNVMBXRVEQSF-SNVBAGLBSA-N -1 0 336.746 3.962 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NCc1cn(C(F)F)c2ccccc12 ZINC000864175583 979815723 /nfs/dbraw/zinc/81/57/23/979815723.db2.gz QGBIGOUXVIMKIO-UHFFFAOYSA-N -1 0 338.354 3.544 20 0 EHADRM Cc1cc2c(CC(=O)NCc3cc(C)c(C(=O)[O-])o3)csc2s1 ZINC000864191032 979843937 /nfs/dbraw/zinc/84/39/37/979843937.db2.gz WDXDNTVSPOFILT-UHFFFAOYSA-N -1 0 349.433 3.730 20 0 EHADRM CC(C)[C@@H](C(=O)NCc1cc(C(=O)[O-])co1)c1cccc(Cl)c1 ZINC000864191618 979846260 /nfs/dbraw/zinc/84/62/60/979846260.db2.gz LIYXDMMPIFPZRB-OAHLLOKOSA-N -1 0 335.787 3.687 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@](C)(CC(=O)[O-])C1CC1 ZINC000864197629 979865610 /nfs/dbraw/zinc/86/56/10/979865610.db2.gz HYCIQGLUGTTWFL-MGPLVRAMSA-N -1 0 341.860 3.580 20 0 EHADRM C[C@@H](C(=O)N[C@](C)(CC(=O)[O-])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000864200015 979874913 /nfs/dbraw/zinc/87/49/13/979874913.db2.gz PASWZLJANUWLFU-JDNHERCYSA-N -1 0 344.238 3.857 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)/C=C\c1ccsc1C(F)(F)F)C1CC1 ZINC000864200642 979877024 /nfs/dbraw/zinc/87/70/24/979877024.db2.gz BYMFGEQFLBIRHR-FWWGQDLDSA-N -1 0 347.358 3.540 20 0 EHADRM C/C(Cl)=C/C(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC001592918848 979910364 /nfs/dbraw/zinc/91/03/64/979910364.db2.gz RQZWERXWYISXNL-UTCJRWHESA-N -1 0 332.581 3.537 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)[C@@H](C)Cc2cccc(F)c2)c1 ZINC000864228122 979918836 /nfs/dbraw/zinc/91/88/36/979918836.db2.gz AXWCJTOQMSIFGC-KBXCAEBGSA-N -1 0 343.398 3.645 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1 ZINC000864233866 979931703 /nfs/dbraw/zinc/93/17/03/979931703.db2.gz ZNDDYNBGDAIVKV-INIZCTEOSA-N -1 0 329.396 3.966 20 0 EHADRM CC[C@H](CSc1ccccc1)NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001595203705 979967487 /nfs/dbraw/zinc/96/74/87/979967487.db2.gz SFPRBRPZGUHRJR-YGNAEDSMSA-N -1 0 345.420 3.678 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C(=O)[O-])Cc2ccccc21 ZINC001595211326 979990961 /nfs/dbraw/zinc/99/09/61/979990961.db2.gz SCVZOPXAQMFTQM-AEFFLSMTSA-N -1 0 337.419 3.545 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001595211893 979995629 /nfs/dbraw/zinc/99/56/29/979995629.db2.gz WLFSGRKBKGLRBI-LBPRGKRZSA-N -1 0 333.334 3.870 20 0 EHADRM CC[C@H](Cc1ccccc1)N(C)C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001595212431 979999767 /nfs/dbraw/zinc/99/97/67/979999767.db2.gz DFPGNVUIIMBUCS-QGZVFWFLSA-N -1 0 329.371 3.617 20 0 EHADRM CC[C@H](Cc1ccccc1)N(CC)C(=O)NCC(C)(C)CC(=O)[O-] ZINC001595212689 980001418 /nfs/dbraw/zinc/00/14/18/980001418.db2.gz HGHINIOBHWIYAH-MRXNPFEDSA-N -1 0 334.460 3.540 20 0 EHADRM CC[C@H](Cc1ccccc1)N(CC)C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001595213392 980006533 /nfs/dbraw/zinc/00/65/33/980006533.db2.gz QMDAMZDCVKWZCJ-SXSDINLZSA-N -1 0 341.407 3.861 20 0 EHADRM CC(F)(F)c1ccc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])cc1 ZINC001592943150 980013005 /nfs/dbraw/zinc/01/30/05/980013005.db2.gz CMYPOACNENWAMN-MRXNPFEDSA-N -1 0 345.345 3.623 20 0 EHADRM CC(F)(F)c1c(F)cccc1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001592943621 980014739 /nfs/dbraw/zinc/01/47/39/980014739.db2.gz KJYLROCEUVVRJE-NXEZZACHSA-N -1 0 329.318 3.767 20 0 EHADRM CC(F)(F)c1ccccc1NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001592945393 980026621 /nfs/dbraw/zinc/02/66/21/980026621.db2.gz ZDDDFCSIKLEHEL-MNOVXSKESA-N -1 0 326.343 3.563 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC001595217574 980027288 /nfs/dbraw/zinc/02/72/88/980027288.db2.gz CDDJTMFZWMGJTF-BVBHFADKSA-N -1 0 343.467 3.808 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC001595218281 980031697 /nfs/dbraw/zinc/03/16/97/980031697.db2.gz HYQRBZOBPZQZOK-INIZCTEOSA-N -1 0 331.456 3.715 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC001595219486 980040307 /nfs/dbraw/zinc/04/03/07/980040307.db2.gz PFKCETCCLAIHOS-MAUKXSAKSA-N -1 0 325.408 3.506 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1nc2c(o1)CCCC2 ZINC000872162429 980052897 /nfs/dbraw/zinc/05/28/97/980052897.db2.gz QNMZTDAESNAFQJ-MRXNPFEDSA-N -1 0 328.412 3.591 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2noc3c2CC(C)(C)CC3)cc1 ZINC000872730293 980119507 /nfs/dbraw/zinc/11/95/07/980119507.db2.gz JLUOMRPLZSKOHC-LLVKDONJSA-N -1 0 342.395 3.630 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(F)c(Cl)c2F)c(F)c1 ZINC001595237185 980142910 /nfs/dbraw/zinc/14/29/10/980142910.db2.gz UJBRNRKHWIPWJO-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccc(C)cc1 ZINC001595256607 980237761 /nfs/dbraw/zinc/23/77/61/980237761.db2.gz DODLDGLDTSHJGH-KRWDZBQOSA-N -1 0 326.396 3.895 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)[C@H]1CCCCO1 ZINC001595256565 980237803 /nfs/dbraw/zinc/23/78/03/980237803.db2.gz CHYHWAOHPHLGJF-JKSUJKDBSA-N -1 0 348.443 3.518 20 0 EHADRM O=C([O-])CC[C@@H](NCc1csc(C(F)(F)F)n1)c1ccccc1 ZINC000900037057 980239147 /nfs/dbraw/zinc/23/91/47/980239147.db2.gz HALXXWTTXVUFMS-GFCCVEGCSA-N -1 0 344.358 3.858 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)c1ccncc1 ZINC001595257684 980248577 /nfs/dbraw/zinc/24/85/77/980248577.db2.gz TUUFNXDPNRBOIL-GVDBMIGSSA-N -1 0 339.395 3.543 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1c1nc(C(F)F)nc2ccc(F)cc21 ZINC000900964964 980255616 /nfs/dbraw/zinc/25/56/16/980255616.db2.gz JAHRLOHZFIXJLQ-SNVBAGLBSA-N -1 0 339.317 3.540 20 0 EHADRM C[C@H](c1ccco1)[N@H+](C)Cc1ccc(C(=O)[O-])c(Br)c1 ZINC000901416743 980262886 /nfs/dbraw/zinc/26/28/86/980262886.db2.gz FTBKASRWRHDXMW-SNVBAGLBSA-N -1 0 338.201 3.933 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(/C=C\C(=O)[O-])o1)c1ccc(Cl)cc1 ZINC001595268974 980281591 /nfs/dbraw/zinc/28/15/91/980281591.db2.gz AZCUGJGKOOGCEF-QQBNSCQMSA-N -1 0 333.771 3.912 20 0 EHADRM CC[C@H](NC(=O)c1ccc(/C=C/C(=O)[O-])o1)c1ccc(Cl)cc1 ZINC001595268973 980281695 /nfs/dbraw/zinc/28/16/95/980281695.db2.gz AZCUGJGKOOGCEF-PLWJUESGSA-N -1 0 333.771 3.912 20 0 EHADRM CCC[C@@H]1CN(Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CCO1 ZINC000901434833 980282409 /nfs/dbraw/zinc/28/24/09/980282409.db2.gz YVSDJEHAVSZPBB-MRXNPFEDSA-N -1 0 329.396 3.646 20 0 EHADRM CCc1oc(CN[C@H]2CCCOc3c(F)cccc32)cc1C(=O)[O-] ZINC000901436975 980284488 /nfs/dbraw/zinc/28/44/88/980284488.db2.gz BCYJWUXQQTXVIW-HNNXBMFYSA-N -1 0 333.359 3.683 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(CN[C@H](CC(F)(F)F)C(=O)[O-])o1 ZINC000901777376 980507511 /nfs/dbraw/zinc/50/75/11/980507511.db2.gz BLXYNOIZRSFENS-CYBMUJFWSA-N -1 0 345.292 3.889 20 0 EHADRM Cc1c(Br)cncc1CNc1cccc([C@H](C)C(=O)[O-])c1 ZINC000901814633 980536006 /nfs/dbraw/zinc/53/60/06/980536006.db2.gz MREVALZGKQWLGZ-NSHDSACASA-N -1 0 349.228 3.953 20 0 EHADRM COc1cc(CNCc2cc(C)c(C(=O)[O-])o2)cc(C(F)(F)F)c1 ZINC000901936761 980640479 /nfs/dbraw/zinc/64/04/79/980640479.db2.gz AAICZJMVQGQYKP-UHFFFAOYSA-N -1 0 343.301 3.603 20 0 EHADRM CC[C@@H](OC(=O)c1csc(-c2ccccc2C)n1)[C@H](C)C(=O)[O-] ZINC001595353633 980683622 /nfs/dbraw/zinc/68/36/22/980683622.db2.gz TYKBNYNPOGQFPS-SMDDNHRTSA-N -1 0 333.409 3.775 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1 ZINC001595355235 980700692 /nfs/dbraw/zinc/70/06/92/980700692.db2.gz SHDLCMDUNDBNGL-GMHRPJKWSA-N -1 0 339.476 3.510 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001595356070 980708522 /nfs/dbraw/zinc/70/85/22/980708522.db2.gz YRYHMXOSAJTHOB-CQSZACIVSA-N -1 0 341.354 3.729 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001595356069 980708576 /nfs/dbraw/zinc/70/85/76/980708576.db2.gz YRYHMXOSAJTHOB-AWEZNQCLSA-N -1 0 341.354 3.729 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)N(CC(C)C)C(C)(C)C(=O)[O-] ZINC001595356128 980709213 /nfs/dbraw/zinc/70/92/13/980709213.db2.gz ANERGOJQKTUPMN-MRXNPFEDSA-N -1 0 335.444 3.500 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC001595356501 980712700 /nfs/dbraw/zinc/71/27/00/980712700.db2.gz LFZGALHKVGCJJO-ZWKOTPCHSA-N -1 0 347.455 3.692 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001595357135 980719356 /nfs/dbraw/zinc/71/93/56/980719356.db2.gz ROFDKXXYDYKQFO-HNNXBMFYSA-N -1 0 345.370 3.937 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001595357399 980722130 /nfs/dbraw/zinc/72/21/30/980722130.db2.gz YGVJKJQUGUCMTM-INIZCTEOSA-N -1 0 327.380 3.798 20 0 EHADRM CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001595357598 980724060 /nfs/dbraw/zinc/72/40/60/980724060.db2.gz GUTZWDAWIBYKSG-AWEZNQCLSA-N -1 0 349.333 3.768 20 0 EHADRM CC[C@H](SCc1cccc(C(=O)[O-])c1)C(=O)NCc1ccccc1 ZINC001595358115 980729104 /nfs/dbraw/zinc/72/91/04/980729104.db2.gz AXWHVRLBCIBVHN-KRWDZBQOSA-N -1 0 343.448 3.713 20 0 EHADRM CC[C@@H](SCC(=O)Nc1cccc(C(=O)[O-])n1)c1ccccc1 ZINC001595358280 980730324 /nfs/dbraw/zinc/73/03/24/980730324.db2.gz INBUUCLWBKYHDV-CQSZACIVSA-N -1 0 330.409 3.603 20 0 EHADRM CCc1oc(CNCc2c(OC)ccc3ccccc32)cc1C(=O)[O-] ZINC000902101483 980734249 /nfs/dbraw/zinc/73/42/49/980734249.db2.gz PWUVTKBKUDGPIN-UHFFFAOYSA-N -1 0 339.391 3.992 20 0 EHADRM CC[C@H](c1ccccc1)N(C(=O)c1cc(C(=O)[O-])ccn1)C(C)C ZINC001595359414 980741065 /nfs/dbraw/zinc/74/10/65/980741065.db2.gz AFAMLFCUYUIUKL-QGZVFWFLSA-N -1 0 326.396 3.782 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cnc(C2CC2)s1 ZINC001595360495 980752672 /nfs/dbraw/zinc/75/26/72/980752672.db2.gz IJCCXAZBTVITLE-AWEZNQCLSA-N -1 0 344.436 3.699 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cccc(C)c1F ZINC001595360900 980756954 /nfs/dbraw/zinc/75/69/54/980756954.db2.gz POIWBFXPOBGAKO-MRXNPFEDSA-N -1 0 329.371 3.812 20 0 EHADRM O=C([O-])/C=C\c1ccc(CNc2ccc(OC[C@@H]3CCCO3)cc2)o1 ZINC000902147099 980757133 /nfs/dbraw/zinc/75/71/33/980757133.db2.gz HOAPMEBTVJOWDM-LPADLIQXSA-N -1 0 343.379 3.547 20 0 EHADRM O=C([O-])CC1CCC(Nc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000902153424 980760141 /nfs/dbraw/zinc/76/01/41/980760141.db2.gz HVYWECUEKYOZGK-UHFFFAOYSA-N -1 0 344.455 3.758 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001595361249 980760835 /nfs/dbraw/zinc/76/08/35/980760835.db2.gz GFDZTDMZDWTXCO-FJIDUMEYSA-N -1 0 329.440 3.877 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@@H]1CCCC(F)(F)C1 ZINC001595361972 980767109 /nfs/dbraw/zinc/76/71/09/980767109.db2.gz SOPMPIFHUQTMRW-CABCVRRESA-N -1 0 339.382 3.876 20 0 EHADRM CC[C@H](c1ccccc1)N(CC)C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001595364450 980793786 /nfs/dbraw/zinc/79/37/86/980793786.db2.gz RYGNPNYYFJFGFX-SXSDINLZSA-N -1 0 327.380 3.991 20 0 EHADRM CCC1(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])CCCCC1 ZINC001595365710 980807420 /nfs/dbraw/zinc/80/74/20/980807420.db2.gz FSVUFYNTRFRBGO-HNNXBMFYSA-N -1 0 335.419 3.546 20 0 EHADRM O=C([O-])c1ccc(CNc2ccc(O[C@H]3CCOC3)cc2)cc1Cl ZINC000902294092 980821435 /nfs/dbraw/zinc/82/14/35/980821435.db2.gz BDXMOUBKTZMJLR-HNNXBMFYSA-N -1 0 347.798 3.818 20 0 EHADRM Cc1oc(CNC(C)(C)c2nc3ccccc3s2)cc1C(=O)[O-] ZINC000902360403 980852450 /nfs/dbraw/zinc/85/24/50/980852450.db2.gz SKIXHVPYJGDKOK-UHFFFAOYSA-N -1 0 330.409 3.921 20 0 EHADRM CCC1(CC)CCCN(C(=O)Nc2nc(CCC(=O)[O-])cs2)C1 ZINC001595374346 980883222 /nfs/dbraw/zinc/88/32/22/980883222.db2.gz DIXYLXLLPPNEMC-UHFFFAOYSA-N -1 0 339.461 3.594 20 0 EHADRM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001595374443 980883978 /nfs/dbraw/zinc/88/39/78/980883978.db2.gz YUZAEDYFCDZHJG-HOTGVXAUSA-N -1 0 348.443 3.751 20 0 EHADRM CC[C@]1(CCc2ccccc2)CCCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001595377013 980910040 /nfs/dbraw/zinc/91/00/40/980910040.db2.gz WRDQQSRYFOAVKC-WAOWUJCRSA-N -1 0 343.467 3.891 20 0 EHADRM CCC1(CC)Oc2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])cc2O1 ZINC001595376981 980910075 /nfs/dbraw/zinc/91/00/75/980910075.db2.gz VMTHLHSQRYFTPU-UONOGXRCSA-N -1 0 347.411 3.804 20 0 EHADRM CCC1(CO)CCN(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])CC1 ZINC001595384302 980931153 /nfs/dbraw/zinc/93/11/53/980931153.db2.gz QAUXWAXGJQGBSH-UHFFFAOYSA-N -1 0 348.443 3.525 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N(Cc2cccc(F)c2)C2CCC2)C1 ZINC000902840454 980945580 /nfs/dbraw/zinc/94/55/80/980945580.db2.gz CBQLYTPKTAZIQB-LSDHHAIUSA-N -1 0 333.403 3.598 20 0 EHADRM CC[C@H]1C[C@@H](CC(=O)Oc2ccc(C(=O)[O-])cc2Cl)CCO1 ZINC001595412270 981009743 /nfs/dbraw/zinc/00/97/43/981009743.db2.gz BLONYEGZDCMRCK-JQWIXIFHSA-N -1 0 326.776 3.539 20 0 EHADRM CC[C@H]1C[C@@H](CC(=O)OCc2ccc(C(=O)[O-])c(Cl)c2)CCO1 ZINC001595413457 981014223 /nfs/dbraw/zinc/01/42/23/981014223.db2.gz MSBPMOWCJXJCEV-AAEUAGOBSA-N -1 0 340.803 3.677 20 0 EHADRM CCC1CCC(CNC(=O)Nc2ccc(C(=O)[O-])cc2OC)CC1 ZINC001595416257 981032348 /nfs/dbraw/zinc/03/23/48/981032348.db2.gz SMMLHNJWTNVKJX-UHFFFAOYSA-N -1 0 334.416 3.731 20 0 EHADRM CC[C@H]1CC[C@H](C(=O)Nc2sc3c(c2C(=O)[O-])CCCCC3)O1 ZINC001595416783 981033728 /nfs/dbraw/zinc/03/37/28/981033728.db2.gz YTGJTLWMNCFGIH-CMPLNLGQSA-N -1 0 337.441 3.611 20 0 EHADRM CCC1CCC(NC(=O)C/C=C\Cc2ccccc2)(C(=O)[O-])CC1 ZINC001595420922 981039368 /nfs/dbraw/zinc/03/93/68/981039368.db2.gz QCAFSARCJZKYCW-SREVYHEPSA-N -1 0 329.440 3.715 20 0 EHADRM CC[C@@H]1CCC[C@]1(C)C(=O)N[C@@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001595436775 981071402 /nfs/dbraw/zinc/07/14/02/981071402.db2.gz VWTNFXVDFTUZMZ-FORWCCJISA-N -1 0 331.456 3.651 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1C(=O)Oc1cc(/C=C/C(=O)[O-])ccc1OC ZINC001595441271 981079205 /nfs/dbraw/zinc/07/92/05/981079205.db2.gz PHLDWNWPRWSIGF-OVNLOREASA-N -1 0 332.396 3.915 20 0 EHADRM C[C@H](Cc1ccc(NCc2cn(C)nc2C2CCCC2)cc1)C(=O)[O-] ZINC000904015806 981080990 /nfs/dbraw/zinc/08/09/90/981080990.db2.gz YBDDKNQILYVRAW-CQSZACIVSA-N -1 0 341.455 3.953 20 0 EHADRM CC[C@@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)C1 ZINC001595453859 981121990 /nfs/dbraw/zinc/12/19/90/981121990.db2.gz ZAUXNOPZKOTNHG-CYBMUJFWSA-N -1 0 334.416 3.826 20 0 EHADRM CC[C@H]1CCCc2sc(NC(=O)c3c(C)[nH]c(C(=O)[O-])c3C)nc21 ZINC001595459813 981140518 /nfs/dbraw/zinc/14/05/18/981140518.db2.gz LYLVRNOLVJMQRV-JTQLQIEISA-N -1 0 347.440 3.868 20 0 EHADRM O=C([O-])c1cc2cccnc2c(N[C@@H]2CC[C@@H]3COCC[C@@H]3C2)c1 ZINC000905761872 981145998 /nfs/dbraw/zinc/14/59/98/981145998.db2.gz UYBLAYQFUCHPHO-XNRPHZJLSA-N -1 0 326.396 3.550 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc(-n2cccc2)ccc1Cl ZINC000907578513 981195421 /nfs/dbraw/zinc/19/54/21/981195421.db2.gz INQJIKCTDFYTAN-QGZVFWFLSA-N -1 0 334.803 3.504 20 0 EHADRM CC1=C(C)C[C@](C)(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)CC1 ZINC000907614826 981200953 /nfs/dbraw/zinc/20/09/53/981200953.db2.gz AZNKKIKYPSOPHP-FXAWDEMLSA-N -1 0 327.424 3.724 20 0 EHADRM Cc1ccc(F)c2oc(C(=O)N3CCC[C@@H](C(C)(C)C(=O)[O-])C3)cc21 ZINC000907629435 981202103 /nfs/dbraw/zinc/20/21/03/981202103.db2.gz QTZZLRQZMPFVRB-GFCCVEGCSA-N -1 0 347.386 3.843 20 0 EHADRM CCOc1ccc(NC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c(C)c1 ZINC000907640814 981203679 /nfs/dbraw/zinc/20/36/79/981203679.db2.gz VMWNSQYOYLIBIJ-UZLBHIALSA-N -1 0 339.391 3.591 20 0 EHADRM COc1cc(NC(=O)c2ccccc2C2(C)CC2)ccc1C(=O)[O-] ZINC000907659355 981205073 /nfs/dbraw/zinc/20/50/73/981205073.db2.gz BRGFADNVMMJPFU-UHFFFAOYSA-N -1 0 325.364 3.697 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2ccc(C3CCC3)cn2)C[C@@H]1c1ccccc1 ZINC000907765865 981216485 /nfs/dbraw/zinc/21/64/85/981216485.db2.gz HXWKNIVDMHMRHP-OXQOHEQNSA-N -1 0 336.391 3.546 20 0 EHADRM O=C([O-])[C@H](Cc1ccc(F)cc1)NC(=O)c1ccccc1C1CCC1 ZINC000907780084 981219104 /nfs/dbraw/zinc/21/91/04/981219104.db2.gz BRPXYDAYOUQETL-SFHVURJKSA-N -1 0 341.382 3.519 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3c3ccc4ccccc4c3)[C@@H]2C1 ZINC000907941613 981242537 /nfs/dbraw/zinc/24/25/37/981242537.db2.gz SLGSCYBVLFYFSF-YRYYUTHUSA-N -1 0 349.430 3.559 20 0 EHADRM CC[C@@H]1c2ccsc2CCN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001595504304 981278762 /nfs/dbraw/zinc/27/87/62/981278762.db2.gz KAZVARZZVQQSIN-CQSZACIVSA-N -1 0 330.409 3.988 20 0 EHADRM CCCC(=CC(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1)CCC ZINC000908178998 981280549 /nfs/dbraw/zinc/28/05/49/981280549.db2.gz ZADUGFLQPZEFEY-CSLYMUCUSA-N -1 0 339.501 3.758 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1cccc(C(F)F)c1)CC1CCCC1 ZINC000908289384 981297232 /nfs/dbraw/zinc/29/72/32/981297232.db2.gz ICAJFEOSVTZHKR-CQSZACIVSA-N -1 0 325.355 3.635 20 0 EHADRM CC/C=C\[C@@H](OC(=O)CCc1nc(C)c(-c2ccccc2)o1)C(=O)[O-] ZINC001595513231 981302284 /nfs/dbraw/zinc/30/22/84/981302284.db2.gz DRYXBULCUCJHTR-OZVSCIAHSA-N -1 0 343.379 3.545 20 0 EHADRM CC(C)Oc1ccccc1C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908343020 981306163 /nfs/dbraw/zinc/30/61/63/981306163.db2.gz UMUOQJIDGFUKSF-UHFFFAOYSA-N -1 0 333.428 3.629 20 0 EHADRM COc1c(NC(=O)CCCSC(C)(C)C)cccc1C(=O)[O-] ZINC000908500537 981318370 /nfs/dbraw/zinc/31/83/70/981318370.db2.gz IHGZBGZRDJBDHA-UHFFFAOYSA-N -1 0 325.430 3.644 20 0 EHADRM COc1cccc([C@@H](C)CCCC(=O)N2CCC(CC(=O)[O-])CC2)c1 ZINC000908682272 981338900 /nfs/dbraw/zinc/33/89/00/981338900.db2.gz YOBQXNGFGFGDTB-HNNXBMFYSA-N -1 0 347.455 3.682 20 0 EHADRM Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000908686264 981339657 /nfs/dbraw/zinc/33/96/57/981339657.db2.gz JGVRAIKURCNWME-MRVPVSSYSA-N -1 0 335.791 3.510 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3CCC(Cc4ccccc4)CC3)(CC1)C2 ZINC000908688083 981339846 /nfs/dbraw/zinc/33/98/46/981339846.db2.gz VMRTZLSZZDJYOG-UHFFFAOYSA-N -1 0 341.451 3.503 20 0 EHADRM CN(Cc1ccc(Cl)cc1)C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000908698195 981340900 /nfs/dbraw/zinc/34/09/00/981340900.db2.gz QYKYVSNYWTWKAP-UHFFFAOYSA-N -1 0 335.831 3.724 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000908699530 981341589 /nfs/dbraw/zinc/34/15/89/981341589.db2.gz BFLQZBFPQLSODH-UHFFFAOYSA-N -1 0 341.860 3.785 20 0 EHADRM CCCC(=CC(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)[O-])CCC ZINC001595521775 981342382 /nfs/dbraw/zinc/34/23/82/981342382.db2.gz BVLIZCCWQHZJGF-GOSISDBHSA-N -1 0 331.456 3.881 20 0 EHADRM CCc1ccc([C@H](NC(=O)c2ccoc2CC(=O)[O-])C(C)C)cc1 ZINC000908705583 981342951 /nfs/dbraw/zinc/34/29/51/981342951.db2.gz VNWZIAHSVCIONO-GOSISDBHSA-N -1 0 329.396 3.596 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1CC(F)(F)F ZINC000908826802 981369546 /nfs/dbraw/zinc/36/95/46/981369546.db2.gz FOEVZPKIYSCRCC-NWDGAFQWSA-N -1 0 329.318 3.621 20 0 EHADRM Cc1nc(-c2ccccc2C)sc1C(=O)NC(C)(C)CCC(=O)[O-] ZINC000908946775 981391119 /nfs/dbraw/zinc/39/11/19/981391119.db2.gz QIHHSDXSXQKNBK-UHFFFAOYSA-N -1 0 346.452 3.800 20 0 EHADRM CCC[C@@H](C(=O)OCc1cc(C(=O)[O-])no1)c1cccc(Cl)c1 ZINC001595538938 981395609 /nfs/dbraw/zinc/39/56/09/981395609.db2.gz SVVYUEJNDLCRPY-CYBMUJFWSA-N -1 0 337.759 3.653 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 ZINC000909052341 981406852 /nfs/dbraw/zinc/40/68/52/981406852.db2.gz AKUJUNFLSPCSJA-MEBBXXQBSA-N -1 0 331.334 3.726 20 0 EHADRM Cc1ccc(CCC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])s1 ZINC000909067515 981410593 /nfs/dbraw/zinc/41/05/93/981410593.db2.gz HLDHAGSCPRVIHM-CXAGYDPISA-N -1 0 331.437 3.567 20 0 EHADRM CCC[C@](C)(NC(=O)c1cccn1[C@@H](C)Cc1ccccc1)C(=O)[O-] ZINC001595553217 981427846 /nfs/dbraw/zinc/42/78/46/981427846.db2.gz DASUVGXGFUGASR-YWZLYKJASA-N -1 0 342.439 3.665 20 0 EHADRM CCC[C@@](C)(NC(=O)c1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC001595553439 981429477 /nfs/dbraw/zinc/42/94/77/981429477.db2.gz JSSGTBHAUGVAMS-HXUWFJFHSA-N -1 0 325.408 3.759 20 0 EHADRM CSC1(C(=O)NCc2c3ccccc3sc2C(=O)[O-])CCC1 ZINC000909216567 981434885 /nfs/dbraw/zinc/43/48/85/981434885.db2.gz NWKKCPPUPVSFGZ-UHFFFAOYSA-N -1 0 335.450 3.501 20 0 EHADRM CCCc1nc(C)c(C(=O)Nc2cccc(CSCC(=O)[O-])c2)o1 ZINC000909228472 981438055 /nfs/dbraw/zinc/43/80/55/981438055.db2.gz BQKRJYVEAUKXNL-UHFFFAOYSA-N -1 0 348.424 3.506 20 0 EHADRM CCC[C@H]1C[C@@H](C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CCO1 ZINC000909272568 981456751 /nfs/dbraw/zinc/45/67/51/981456751.db2.gz QRPAWMCGFJHLBM-HZMBPMFUSA-N -1 0 325.792 3.572 20 0 EHADRM CCC[C@@H](C)C(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001595566577 981461888 /nfs/dbraw/zinc/46/18/88/981461888.db2.gz DKPCPWNYPUYAFG-RFAUZJTJSA-N -1 0 332.227 3.846 20 0 EHADRM CCC(CC)(CNC(=O)C[C@H](C)c1c[nH]c2ccccc21)C(=O)[O-] ZINC000909383123 981478255 /nfs/dbraw/zinc/47/82/55/981478255.db2.gz QQESNUWJNWWXRF-ZDUSSCGKSA-N -1 0 330.428 3.669 20 0 EHADRM CC(C)Oc1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)c(F)c1 ZINC000909407010 981486198 /nfs/dbraw/zinc/48/61/98/981486198.db2.gz XCSXRTCDZCRGDU-UHFFFAOYSA-N -1 0 335.375 3.587 20 0 EHADRM CCC[C@@H](C)[C@@H]1CCCN1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001595573379 981487866 /nfs/dbraw/zinc/48/78/66/981487866.db2.gz RHCPFAYNWJOLKC-PBHICJAKSA-N -1 0 332.444 3.538 20 0 EHADRM CCC[C@@H](C)[C@@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001595574150 981491185 /nfs/dbraw/zinc/49/11/85/981491185.db2.gz VVUZLLLWSIHRJF-DOMZBBRYSA-N -1 0 334.416 3.826 20 0 EHADRM C[C@@H](CC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1c[nH]c2ccccc21 ZINC000909480927 981505627 /nfs/dbraw/zinc/50/56/27/981505627.db2.gz CRVPRONQELKKAG-LSDHHAIUSA-N -1 0 342.439 3.765 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)C1 ZINC000909490194 981507901 /nfs/dbraw/zinc/50/79/01/981507901.db2.gz INZCLHDSFBGEJM-QBPKDAKJSA-N -1 0 335.488 3.942 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N1CCCC[C@H]1CCc1ccccc1 ZINC000909545856 981538098 /nfs/dbraw/zinc/53/80/98/981538098.db2.gz OQWOQSWJJCBJOB-INIZCTEOSA-N -1 0 341.407 3.534 20 0 EHADRM CCC[C@@H](CC1CCCC1)C(=O)OCc1nc(C(=O)[O-])cs1 ZINC001595587794 981544225 /nfs/dbraw/zinc/54/42/25/981544225.db2.gz VJSHJVCTNRUGFO-LBPRGKRZSA-N -1 0 325.430 3.881 20 0 EHADRM CCC[C@H](CC1CCCCC1)C(=O)NCc1ncc(C(=O)[O-])s1 ZINC001595587889 981544944 /nfs/dbraw/zinc/54/49/44/981544944.db2.gz ZIYRWBKWZMABIX-CYBMUJFWSA-N -1 0 338.473 3.844 20 0 EHADRM CCC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])nc1)c1ccc(F)cc1F ZINC001595600527 981581007 /nfs/dbraw/zinc/58/10/07/981581007.db2.gz RXQUHAGRZSPOIW-CQSZACIVSA-N -1 0 349.337 3.721 20 0 EHADRM CC(C)[C@H](NC(=O)[C@@H](C)CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000909728552 981581918 /nfs/dbraw/zinc/58/19/18/981581918.db2.gz AJQSMZOGSMDCHF-HZMBPMFUSA-N -1 0 331.334 3.630 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)c1ccccc1CCC(=O)[O-])C(F)(F)F ZINC000909729180 981582609 /nfs/dbraw/zinc/58/26/09/981582609.db2.gz IJSMCVRJGLLQED-ZDUSSCGKSA-N -1 0 345.361 3.801 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)Nc1cc(Cl)ccc1OCC1CCC1 ZINC000909728790 981582681 /nfs/dbraw/zinc/58/26/81/981582681.db2.gz DCOWHRZBQROIGJ-SNVBAGLBSA-N -1 0 325.792 3.568 20 0 EHADRM CCC[C@H](NC(=O)c1ccccc1)c1nc(C2(C(=O)[O-])CC2)cs1 ZINC001595601080 981586401 /nfs/dbraw/zinc/58/64/01/981586401.db2.gz TXTNBVHECQIFJT-ZDUSSCGKSA-N -1 0 344.436 3.531 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)Cc1cccc(C(F)F)c1 ZINC000909748693 981588598 /nfs/dbraw/zinc/58/85/98/981588598.db2.gz IVHYKUZJZVOUQN-CYBMUJFWSA-N -1 0 347.361 3.669 20 0 EHADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)CC(C)(C)Cc1ccc(Cl)cc1 ZINC000909804075 981633509 /nfs/dbraw/zinc/63/35/09/981633509.db2.gz AYJYYYRRRYYUFJ-WFASDCNBSA-N -1 0 337.847 3.620 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2ccccc2OC2CC2)cc1 ZINC000909835903 981655788 /nfs/dbraw/zinc/65/57/88/981655788.db2.gz KXQCTHQYFZZKAI-GFCCVEGCSA-N -1 0 325.364 3.668 20 0 EHADRM CCN(C)[C@@H](C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC000909841961 981663138 /nfs/dbraw/zinc/66/31/38/981663138.db2.gz VYCMPBDLILMMTR-RDTXWAMCSA-N -1 0 340.423 3.506 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N[C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC001594757721 981680529 /nfs/dbraw/zinc/68/05/29/981680529.db2.gz MNTOVHJPYBEVKC-KSSFIOAISA-N -1 0 341.407 3.554 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccccc2CCC(=O)[O-])CCc2ccccc21 ZINC000909900305 981699319 /nfs/dbraw/zinc/69/93/19/981699319.db2.gz FVDFNMAJXIFURH-OAHLLOKOSA-N -1 0 337.419 3.506 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)Nc1cc(Cl)ccc1OC1CCCC1 ZINC000909921259 981701938 /nfs/dbraw/zinc/70/19/38/981701938.db2.gz ODFOFWIGHBPSGO-SNVBAGLBSA-N -1 0 325.792 3.711 20 0 EHADRM CC[C@H](CC(=O)NC(C)(C)c1cc(C(=O)[O-])on1)c1ccc(C)cc1 ZINC000909924905 981702691 /nfs/dbraw/zinc/70/26/91/981702691.db2.gz CXNAVBWRKSHPEX-CYBMUJFWSA-N -1 0 344.411 3.616 20 0 EHADRM CC[C@@H](Cc1ccc(F)cc1)NC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000909931717 981704859 /nfs/dbraw/zinc/70/48/59/981704859.db2.gz HBQOFUIITWUMRX-DZIBYMRMSA-N -1 0 347.430 3.688 20 0 EHADRM CCC[C@H]1CCC[C@@H]1C(=O)Nc1cccnc1SCCC(=O)[O-] ZINC001595622654 981712868 /nfs/dbraw/zinc/71/28/68/981712868.db2.gz VCFJMRPKBHUUBP-STQMWFEESA-N -1 0 336.457 3.803 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2coc3cc(F)ccc23)[C@H]2CCCC[C@H]12 ZINC000909960972 981714395 /nfs/dbraw/zinc/71/43/95/981714395.db2.gz LTSRASHNCJQXJF-XPKDYRNWSA-N -1 0 345.370 3.677 20 0 EHADRM Cc1nc(C2CCCCC2)sc1C(=O)NCc1ccoc1C(=O)[O-] ZINC000909961611 981714947 /nfs/dbraw/zinc/71/49/47/981714947.db2.gz FZWJLGZPAKRZBG-UHFFFAOYSA-N -1 0 348.424 3.720 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)C(F)(F)c1ccc(C)cc1)c1ccccc1 ZINC001594765339 981716651 /nfs/dbraw/zinc/71/66/51/981716651.db2.gz YKNXOTOBCBJJQP-MRXNPFEDSA-N -1 0 347.361 3.983 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)CCc1cccnc1Cl)c1ccccc1 ZINC001594768060 981727347 /nfs/dbraw/zinc/72/73/47/981727347.db2.gz NIVHNNNBHCWUFR-HNNXBMFYSA-N -1 0 346.814 3.564 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)Cc1cc(C)ccc1F)c1ccccc1 ZINC001594768477 981731909 /nfs/dbraw/zinc/73/19/09/981731909.db2.gz ZHYQBCQGHLFQMV-KRWDZBQOSA-N -1 0 329.371 3.573 20 0 EHADRM Cc1cccc([C@@H]2CCN(C(=O)c3ccccc3CCC(=O)[O-])C2)c1 ZINC000910014694 981735167 /nfs/dbraw/zinc/73/51/67/981735167.db2.gz VGXJKUPUHBTDKO-GOSISDBHSA-N -1 0 337.419 3.642 20 0 EHADRM Cc1oc(C(C)C)nc1C(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000910088341 981756518 /nfs/dbraw/zinc/75/65/18/981756518.db2.gz AIPAEXZLJCHTGZ-CABCVRRESA-N -1 0 348.443 3.602 20 0 EHADRM CCCC[C@H](C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2)C(C)C ZINC001595627398 981772146 /nfs/dbraw/zinc/77/21/46/981772146.db2.gz CNLOTKQUDVRAEK-NSHDSACASA-N -1 0 339.457 3.920 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)C/C=C/c1ccc(C)cc1 ZINC001594780845 981785838 /nfs/dbraw/zinc/78/58/38/981785838.db2.gz IAGVSZJPWAZOMG-RRFGBZISSA-N -1 0 329.440 3.890 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@H]1CCCc2ccccc21 ZINC001594782495 981791502 /nfs/dbraw/zinc/79/15/02/981791502.db2.gz QMAZIJIQHKVQMA-FXAWDEMLSA-N -1 0 329.440 3.598 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)/C=C(\C)c1ccccc1OC ZINC001594782537 981791540 /nfs/dbraw/zinc/79/15/40/981791540.db2.gz RGQFWWMCEJXNTL-PKHIPVCBSA-N -1 0 345.439 3.590 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)C[C@H]1CCCc2ccccc21 ZINC001594783453 981795213 /nfs/dbraw/zinc/79/52/13/981795213.db2.gz XHPPBXMOUNBDIY-DYESRHJHSA-N -1 0 343.467 3.989 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1nc(C(C)(C)C)cs1 ZINC001594784526 981797815 /nfs/dbraw/zinc/79/78/15/981797815.db2.gz BUIPMQZRULFKPC-QGZVFWFLSA-N -1 0 338.473 3.546 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)o2)[C@@H]2CCC[C@@H]21 ZINC000910238817 981805403 /nfs/dbraw/zinc/80/54/03/981805403.db2.gz GWFLJLBCJPTFHQ-BZUAXINKSA-N -1 0 339.391 3.662 20 0 EHADRM CCCC[C@H](C)C(=O)N(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001595631058 981833191 /nfs/dbraw/zinc/83/31/91/981833191.db2.gz ZWTBJINVAAARTB-LKFCYVNXSA-N -1 0 331.334 3.514 20 0 EHADRM CCCC[C@H](CC)CC(=O)Nc1c(C(=O)[O-])nnn1-c1ccccc1 ZINC001595632818 981860992 /nfs/dbraw/zinc/86/09/92/981860992.db2.gz RXKWSEJWLBMVBZ-ZDUSSCGKSA-N -1 0 344.415 3.511 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cc(C)nc2ccccc21 ZINC001594792736 981862485 /nfs/dbraw/zinc/86/24/85/981862485.db2.gz PQZGQSSZJWGWII-HXUWFJFHSA-N -1 0 340.423 3.649 20 0 EHADRM CCCC[C@H](NC(=O)C(C)(C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001595634203 981884318 /nfs/dbraw/zinc/88/43/18/981884318.db2.gz KPOPEBQAEMQKFM-ZDUSSCGKSA-N -1 0 345.361 3.743 20 0 EHADRM CCCC[C@@H](NC(=O)/C=C\c1csc(C(F)(F)F)c1)C(=O)[O-] ZINC001595634653 981891750 /nfs/dbraw/zinc/89/17/50/981891750.db2.gz LKWZCUUMJBGTLN-WWQCOOJYSA-N -1 0 335.347 3.540 20 0 EHADRM CSc1ccccc1CC(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000910366360 981896334 /nfs/dbraw/zinc/89/63/34/981896334.db2.gz BAZSXNUOBAZLQM-CQSZACIVSA-N -1 0 341.432 3.556 20 0 EHADRM CCCC[C@H](NC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1)C(=O)[O-] ZINC001595636732 981921419 /nfs/dbraw/zinc/92/14/19/981921419.db2.gz NTNIRYWBYWZDLI-AWEZNQCLSA-N -1 0 330.428 3.839 20 0 EHADRM CCCC[C@H](N[C@@H](C)c1nc(-c2ccc(CC)cc2)no1)C(=O)[O-] ZINC001595637604 981932984 /nfs/dbraw/zinc/93/29/84/981932984.db2.gz MIHWSHHBYPYSAZ-WFASDCNBSA-N -1 0 331.416 3.593 20 0 EHADRM CCC(C)(C)c1ccc(CNC(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC001594814036 981936440 /nfs/dbraw/zinc/93/64/40/981936440.db2.gz DWLULFGQVZVMCZ-UHFFFAOYSA-N -1 0 329.396 3.904 20 0 EHADRM CCC(C)(C)c1ccc(CNC(=O)Nc2ccc(C(=O)[O-])cn2)cc1 ZINC001594814636 981940380 /nfs/dbraw/zinc/94/03/80/981940380.db2.gz SUEDYZBQHOKDTG-UHFFFAOYSA-N -1 0 341.411 3.789 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC001594816233 981949856 /nfs/dbraw/zinc/94/98/56/981949856.db2.gz BKBZTVGJSYXUMM-BTJLNZGRSA-N -1 0 341.810 3.732 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)CCC[C@@H](C)c1cccc(OC)c1 ZINC001594819016 981962574 /nfs/dbraw/zinc/96/25/74/981962574.db2.gz MAEPDNJCDMBBBW-AUUYWEPGSA-N -1 0 335.444 3.729 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN(C(=O)[C@H]1CCC[C@H]1c1ccccc1)C2 ZINC000910501694 981967158 /nfs/dbraw/zinc/96/71/58/981967158.db2.gz BCJIKOYJDPRFMC-PMACEKPBSA-N -1 0 349.430 3.853 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cc(Cl)ccc1Cl)C1CCCC1 ZINC000910566451 981992932 /nfs/dbraw/zinc/99/29/32/981992932.db2.gz GQZUHCLSDURJKA-CYBMUJFWSA-N -1 0 330.211 3.757 20 0 EHADRM CCCC[C@H](S[C@H](C(=O)OC)c1ccccc1Cl)C(=O)[O-] ZINC001595651257 982019171 /nfs/dbraw/zinc/01/91/71/982019171.db2.gz DNKAVPPDMLDJQP-STQMWFEESA-N -1 0 330.833 3.931 20 0 EHADRM CCCC[C@@H](S[C@H](C(=O)[O-])c1ccccc1Cl)C(=O)OC ZINC001595651952 982029047 /nfs/dbraw/zinc/02/90/47/982029047.db2.gz MXKHAJSUQUHZKV-OLZOCXBDSA-N -1 0 330.833 3.931 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)c1ccccc1C ZINC000910624177 982032865 /nfs/dbraw/zinc/03/28/65/982032865.db2.gz NTIKDUAXHTUYBH-ZDUSSCGKSA-N -1 0 327.380 3.834 20 0 EHADRM CC[C@@H](C)n1ncc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)c1C1CC1 ZINC000910649258 982040511 /nfs/dbraw/zinc/04/05/11/982040511.db2.gz UNGYOMQCNAUAEJ-GFCCVEGCSA-N -1 0 341.411 3.990 20 0 EHADRM CC[C@@H](C)n1ncc(NC(=O)c2cccc(CC(=O)[O-])c2)c1C1CC1 ZINC000910649366 982041644 /nfs/dbraw/zinc/04/16/44/982041644.db2.gz UYTBGJNVLLRHHH-GFCCVEGCSA-N -1 0 341.411 3.611 20 0 EHADRM CCCC[C@H](SCC(=O)N[C@@H](c1ccccc1)C1CC1)C(=O)[O-] ZINC001595655121 982042527 /nfs/dbraw/zinc/04/25/27/982042527.db2.gz HHYLSVCYKOVRIL-RDJZCZTQSA-N -1 0 335.469 3.631 20 0 EHADRM Cc1cc(NC(=O)/C=C\c2cc(C(=O)[O-])co2)nn1C1CCCCC1 ZINC000910665997 982047701 /nfs/dbraw/zinc/04/77/01/982047701.db2.gz PTLJBPWZZLASHF-FPLPWBNLSA-N -1 0 343.383 3.640 20 0 EHADRM CCCCC1CCC(C(=O)N[C@@H](C(=O)[O-])c2ccc(O)cc2)CC1 ZINC001595660476 982070442 /nfs/dbraw/zinc/07/04/42/982070442.db2.gz GGLFGABWJRFZHE-PUJMQQBBSA-N -1 0 333.428 3.631 20 0 EHADRM CC(C)c1sc(NC(=O)[C@H](c2cccnc2)C(C)C)nc1C(=O)[O-] ZINC000910701282 982071782 /nfs/dbraw/zinc/07/17/82/982071782.db2.gz SVBNTVHGUOSTTQ-LBPRGKRZSA-N -1 0 347.440 3.738 20 0 EHADRM CC(C)c1sc(NC(=O)c2ccc3c(c2)C[C@@H](C)O3)nc1C(=O)[O-] ZINC000910705372 982074500 /nfs/dbraw/zinc/07/45/00/982074500.db2.gz GPSZFBXRTPBNHC-SECBINFHSA-N -1 0 346.408 3.540 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)/C=C2\CC[C@H](C)C2)nc1C(=O)[O-] ZINC000910720389 982082711 /nfs/dbraw/zinc/08/27/11/982082711.db2.gz GPYLMNNCYOYMSW-UKLBWWPGSA-N -1 0 334.441 3.560 20 0 EHADRM CCCCC[C@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-])C(C)C ZINC001595663477 982084318 /nfs/dbraw/zinc/08/43/18/982084318.db2.gz XPMFZRWCSSMPRR-DLBZAZTESA-N -1 0 337.435 3.790 20 0 EHADRM CSc1ccc(NC(=O)Cc2csc(C3CC3)n2)cc1C(=O)[O-] ZINC000910943823 982169937 /nfs/dbraw/zinc/16/99/37/982169937.db2.gz IGIJKWYANQVUHE-UHFFFAOYSA-N -1 0 348.449 3.622 20 0 EHADRM CCCCC[C@@H]1CCCCN1C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001595690884 982202647 /nfs/dbraw/zinc/20/26/47/982202647.db2.gz VZTMTXJOBWUBEX-OAHLLOKOSA-N -1 0 333.432 3.675 20 0 EHADRM Cc1cc(NC(=O)Cc2csc(C(C)(C)C)n2)cc(C(=O)[O-])c1 ZINC000911070488 982225368 /nfs/dbraw/zinc/22/53/68/982225368.db2.gz FOVBRGCUSDBDJS-UHFFFAOYSA-N -1 0 332.425 3.628 20 0 EHADRM CC[C@H](C)[C@@H](C)C(=O)Oc1ccc(C(=O)[O-])cc1Br ZINC001594881085 982234094 /nfs/dbraw/zinc/23/40/94/982234094.db2.gz MNCRXVNAUUYFEY-DTWKUNHWSA-N -1 0 329.190 3.735 20 0 EHADRM CCCCCC[C@@H](C)CC(=O)N1Cc2cc(O)ccc2C[C@@H]1C(=O)[O-] ZINC001595698002 982247462 /nfs/dbraw/zinc/24/74/62/982247462.db2.gz OXFOJQIQFNPDKL-RDTXWAMCSA-N -1 0 347.455 3.727 20 0 EHADRM CCCCCC[C@H](CC)C(=O)N1[C@H]2C[C@@H](C(=O)[O-])O[C@H]2CC[C@H]1C ZINC001595697955 982247503 /nfs/dbraw/zinc/24/75/03/982247503.db2.gz ODDHIQMIEPRKHT-XAJHFOFHSA-N -1 0 339.476 3.605 20 0 EHADRM CCN(c1ccc(NC(=O)c2cccc(CC(=O)[O-])c2)cc1)C(C)C ZINC000911212888 982288854 /nfs/dbraw/zinc/28/88/54/982288854.db2.gz SCJMHYHRLNOQMS-UHFFFAOYSA-N -1 0 340.423 3.801 20 0 EHADRM CCCCCCN(Cc1ccc(C)o1)C(=O)c1ccnc(C(=O)[O-])c1 ZINC001595709033 982289871 /nfs/dbraw/zinc/28/98/71/982289871.db2.gz RFGGXJIPCSAXMT-UHFFFAOYSA-N -1 0 344.411 3.904 20 0 EHADRM CCCCCCOCc1cccc(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])c1 ZINC001595710425 982295110 /nfs/dbraw/zinc/29/51/10/982295110.db2.gz HVIAXSRPLYFMCU-DLBZAZTESA-N -1 0 333.428 3.833 20 0 EHADRM CCCCCCOc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C)cc1 ZINC001595714463 982309382 /nfs/dbraw/zinc/30/93/82/982309382.db2.gz ARJBZOHTVRXSLJ-NVXWUHKLSA-N -1 0 347.455 3.971 20 0 EHADRM CCCCCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])nc2)cc1 ZINC001595722266 982340229 /nfs/dbraw/zinc/34/02/29/982340229.db2.gz ZFTSOBKLMLVMOJ-UHFFFAOYSA-N -1 0 328.368 3.601 20 0 EHADRM CCCCCc1cc(C(=O)Nc2c(C)sc(C)c2C(=O)[O-])n[nH]1 ZINC001595727379 982351557 /nfs/dbraw/zinc/35/15/57/982351557.db2.gz GSASMUJWTVXZMO-UHFFFAOYSA-N -1 0 335.429 3.771 20 0 EHADRM CCCCN(C(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccc(Cl)nc1 ZINC001595732206 982367718 /nfs/dbraw/zinc/36/77/18/982367718.db2.gz SLELZUMUDPZEBH-TWGQIWQCSA-N -1 0 348.786 3.873 20 0 EHADRM CCCCN(C(=O)Cn1cc(C(=O)[O-])c2ccccc21)[C@@H](C)CC ZINC001595732309 982368144 /nfs/dbraw/zinc/36/81/44/982368144.db2.gz UCNWTDMTXKESTE-AWEZNQCLSA-N -1 0 330.428 3.767 20 0 EHADRM CCCCN(C(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccncc1 ZINC001595732411 982368536 /nfs/dbraw/zinc/36/85/36/982368536.db2.gz YHMPMDSRHPYBNO-UHFFFAOYSA-N -1 0 332.787 3.880 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)c1ccc2c(c1)oc1ccccc12)C(=O)[O-] ZINC001594912109 982420318 /nfs/dbraw/zinc/42/03/18/982420318.db2.gz GSOKXTCHHOAKMG-DIFFPNOSSA-N -1 0 325.364 3.815 20 0 EHADRM CC[C@H](C)[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)[O-] ZINC001594928429 982537412 /nfs/dbraw/zinc/53/74/12/982537412.db2.gz IHKNFPWOHUQNBJ-SMDDNHRTSA-N -1 0 331.441 3.736 20 0 EHADRM CCCCOc1ccc(C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001595776538 982543667 /nfs/dbraw/zinc/54/36/67/982543667.db2.gz DGHMXTSOVZEAHQ-GOSISDBHSA-N -1 0 347.455 3.876 20 0 EHADRM CCCCOc1ccc(OC)cc1NCc1ccc(C(=O)[O-])n1C ZINC001595780799 982553873 /nfs/dbraw/zinc/55/38/73/982553873.db2.gz NXSDNRDQXJUWHW-UHFFFAOYSA-N -1 0 332.400 3.523 20 0 EHADRM CC[C@@H](C)CC(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001594930944 982557156 /nfs/dbraw/zinc/55/71/56/982557156.db2.gz DEMHCRWHRQXNNO-ZWNOBZJWSA-N -1 0 331.334 3.774 20 0 EHADRM CC(C)[C@H]1CCCN1c1ccc(NC(=O)CCCC(=O)[O-])cc1F ZINC000911668904 982595567 /nfs/dbraw/zinc/59/55/67/982595567.db2.gz PLSBNZOJVZVHBZ-OAHLLOKOSA-N -1 0 336.407 3.644 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC000911738828 982621347 /nfs/dbraw/zinc/62/13/47/982621347.db2.gz JBGXDZDRUULUCG-MRXNPFEDSA-N -1 0 349.427 3.848 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c1 ZINC000911742222 982624860 /nfs/dbraw/zinc/62/48/60/982624860.db2.gz IJAJCADSRHYFQE-ACDBMABISA-N -1 0 349.430 3.865 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)c1ccc(-c2csc(C)n2)cc1)C(=O)[O-] ZINC001594945900 982636577 /nfs/dbraw/zinc/63/65/77/982636577.db2.gz IITLRFRVZNKILJ-XHDPSFHLSA-N -1 0 346.452 3.738 20 0 EHADRM CCCN(C(=O)CCc1ccc(F)c2ccccc12)[C@@H](C)C(=O)[O-] ZINC001595816089 982669997 /nfs/dbraw/zinc/66/99/97/982669997.db2.gz HRAFTCJNQCKISQ-ZDUSSCGKSA-N -1 0 331.387 3.623 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc(Cl)cc3cccnc32)ccc1F ZINC000917659761 982681181 /nfs/dbraw/zinc/68/11/81/982681181.db2.gz KHQALYJVSVTLCQ-UHFFFAOYSA-N -1 0 344.729 3.978 20 0 EHADRM CC[C@@H](C)CCC(=O)N(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001594953785 982682248 /nfs/dbraw/zinc/68/22/48/982682248.db2.gz WKRFKLFLQNSUKR-RFAUZJTJSA-N -1 0 331.334 3.514 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(N3CCCCC3)c2)s1 ZINC000919823372 982689842 /nfs/dbraw/zinc/68/98/42/982689842.db2.gz NYZOCVOCHQULAG-UHFFFAOYSA-N -1 0 330.409 3.689 20 0 EHADRM CC[C@H](C)CC[C@@H](O)CC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001594957753 982692636 /nfs/dbraw/zinc/69/26/36/982692636.db2.gz MQMFJZBWYHMSIU-CMPLNLGQSA-N -1 0 327.808 3.554 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C[C@@H]1C[C@H]1Cc1ccccc1)c1cccs1 ZINC000923044282 982697507 /nfs/dbraw/zinc/69/75/07/982697507.db2.gz MIWFBOJCLLOJKM-OWCLPIDISA-N -1 0 343.448 3.649 20 0 EHADRM CC[C@H](C)CCCCC(=O)Oc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001594958645 982699961 /nfs/dbraw/zinc/69/99/61/982699961.db2.gz DXNPEBURJYXOJF-LBPRGKRZSA-N -1 0 336.384 3.683 20 0 EHADRM Cc1ccc(NC(=O)C[C@@H]2CCC[C@@H](C(F)(F)F)O2)cc1C(=O)[O-] ZINC000923063191 982702442 /nfs/dbraw/zinc/70/24/42/982702442.db2.gz CWMBLPIRDUVHLJ-AAEUAGOBSA-N -1 0 345.317 3.522 20 0 EHADRM CC[C@H](C)CCCCC(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001594959072 982702836 /nfs/dbraw/zinc/70/28/36/982702836.db2.gz JVTDLZQMGOZXNJ-YOFIQYCBSA-N -1 0 341.517 3.838 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@]1(C)CCOc2ccccc21 ZINC000923076606 982708993 /nfs/dbraw/zinc/70/89/93/982708993.db2.gz SXUPCJUXMJBGLS-HXUWFJFHSA-N -1 0 339.391 3.681 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2cc(C(=O)[O-])sc2C)cc1 ZINC000923094262 982718706 /nfs/dbraw/zinc/71/87/06/982718706.db2.gz IACUAMUQHVGQFG-JSGCOSHPSA-N -1 0 345.420 3.896 20 0 EHADRM CCCOc1cc(OC)ccc1C(=O)Nc1cc(C(=O)[O-])sc1C ZINC000923095420 982720433 /nfs/dbraw/zinc/72/04/33/982720433.db2.gz RPZUJQJCGVTRCC-UHFFFAOYSA-N -1 0 349.408 3.804 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC001594977123 982754498 /nfs/dbraw/zinc/75/44/98/982754498.db2.gz FQDVODPNLDTLRI-QMMMGPOBSA-N -1 0 337.725 3.684 20 0 EHADRM CC[C@H](C)N1C(=O)N[C@@H](c2ccc(Cl)c(F)c2)C(C(=O)[O-])=C1C ZINC001594985137 982796371 /nfs/dbraw/zinc/79/63/71/982796371.db2.gz HFYBKIJTINRTPX-RTHLEPHNSA-N -1 0 340.782 3.703 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)NCc2cccc(Cl)c2)cc1 ZINC000108065459 1014882688 /nfs/dbraw/zinc/88/26/88/1014882688.db2.gz NHOPXHZLBBHNFV-HSZRJFAPSA-N -1 0 349.883 3.887 20 0 EHADRM CCCN(CC)c1ccc(C(=O)N[C@H](CC(C)(C)C)C(=O)[O-])cc1 ZINC001595869501 982848784 /nfs/dbraw/zinc/84/87/84/982848784.db2.gz ZOCREVVEGBJLHH-MRXNPFEDSA-N -1 0 334.460 3.542 20 0 EHADRM CCCN(CCC)c1ccc(NC(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)cc1 ZINC001595878959 982877014 /nfs/dbraw/zinc/87/70/14/982877014.db2.gz ICZIEOKFIAMFHI-PBHICJAKSA-N -1 0 347.459 3.640 20 0 EHADRM CCCN(CCC)c1ccc(NC(=O)N2CCC[C@H]2CC(=O)[O-])cc1 ZINC001595880075 982885745 /nfs/dbraw/zinc/88/57/45/982885745.db2.gz WGBKJBAFFUQULA-KRWDZBQOSA-N -1 0 347.459 3.784 20 0 EHADRM CC[C@@H](C)Oc1cc(-c2nc3cc(C(=O)[O-])cnc3[nH]2)ccc1OC ZINC001594997150 982904780 /nfs/dbraw/zinc/90/47/80/982904780.db2.gz ZQQHZPJRIKUUAU-SNVBAGLBSA-N -1 0 341.367 3.509 20 0 EHADRM CCCN(CCc1cccs1)C(=O)Nc1cc(C)c(C(=O)[O-])cn1 ZINC001595884163 982905695 /nfs/dbraw/zinc/90/56/95/982905695.db2.gz MVHHOQPBTXMGQT-UHFFFAOYSA-N -1 0 347.440 3.636 20 0 EHADRM CC[C@H](C)Oc1cc(CNc2nc(Cl)c(C(=O)[O-])s2)ccn1 ZINC001594999399 982906520 /nfs/dbraw/zinc/90/65/20/982906520.db2.gz FRCJHGTUYFKJGC-QMMMGPOBSA-N -1 0 341.820 3.679 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(Cl)c(Cl)[nH]2)cc1 ZINC001116301139 982927245 /nfs/dbraw/zinc/92/72/45/982927245.db2.gz TZSRWKDCCYEDMP-LLVKDONJSA-N -1 0 341.194 3.576 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1cc(-c2ccccc2F)on1 ZINC001116329978 982929059 /nfs/dbraw/zinc/92/90/59/982929059.db2.gz OSSCILQZLTZWNY-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM CC[C@H](C)c1ccc([C@@H](NC(=O)CC(=O)[O-])c2cccs2)cc1 ZINC001595009902 982937773 /nfs/dbraw/zinc/93/77/73/982937773.db2.gz LCTKDEJUZJJQPE-KPZWWZAWSA-N -1 0 331.437 3.942 20 0 EHADRM CC[C@@H](C)c1ccc(C(=O)NCc2ccc(CC(=O)[O-])cc2)cc1 ZINC001595010524 982940859 /nfs/dbraw/zinc/94/08/59/982940859.db2.gz SMCCFAGYTSLDQK-CQSZACIVSA-N -1 0 325.408 3.757 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)N[C@@H](CC(=O)[O-])C1CCCC1 ZINC001595013581 982948790 /nfs/dbraw/zinc/94/87/90/982948790.db2.gz JWZWDMZPZWTKEV-YOEHRIQHSA-N -1 0 347.455 3.729 20 0 EHADRM CC[C@H](C)c1nc(-c2cn([C@@H]3CCC[C@H](C(=O)[O-])C3)nn2)cs1 ZINC001595014583 982953560 /nfs/dbraw/zinc/95/35/60/982953560.db2.gz AKKYMUMVZPNDHH-SDDRHHMPSA-N -1 0 334.445 3.731 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)OCc1occc1C(=O)[O-] ZINC001595015172 982959803 /nfs/dbraw/zinc/95/98/03/982959803.db2.gz GGYAUSZJSLCQBO-GFCCVEGCSA-N -1 0 332.352 3.614 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC001118973296 982971281 /nfs/dbraw/zinc/97/12/81/982971281.db2.gz RUDNAKYCXGBCFT-XOKHGSTOSA-N -1 0 341.794 3.871 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12 ZINC001118973290 982971454 /nfs/dbraw/zinc/97/14/54/982971454.db2.gz RUDNAKYCXGBCFT-IAOVAPTHSA-N -1 0 341.794 3.871 20 0 EHADRM CCCNc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](CC)C(=O)[O-] ZINC001595937208 983083191 /nfs/dbraw/zinc/08/31/91/983083191.db2.gz XURJYTPYMTXIFG-SNVBAGLBSA-N -1 0 332.322 3.577 20 0 EHADRM CCCOc1ccc(C(=O)Oc2cccc(C(=O)[O-])c2)cc1OCC ZINC001595954302 983136047 /nfs/dbraw/zinc/13/60/47/983136047.db2.gz CKPBRVNPDIFNDS-UHFFFAOYSA-N -1 0 344.363 3.792 20 0 EHADRM CCCOc1ccc(NC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)cc1C ZINC001595961195 983157088 /nfs/dbraw/zinc/15/70/88/983157088.db2.gz VJIFFZHXDGBMBY-OAHLLOKOSA-N -1 0 336.432 3.795 20 0 EHADRM CCCOc1ccc(Cl)cc1C(=O)OCc1ccc(C(=O)[O-])cn1 ZINC001595961359 983159359 /nfs/dbraw/zinc/15/93/59/983159359.db2.gz JCQZYDXGKGIQNJ-UHFFFAOYSA-N -1 0 349.770 3.579 20 0 EHADRM CCCc1c(C(=O)N[C@@H](C)CCCC(F)(F)F)[nH]c(C)c1C(=O)[O-] ZINC001596036625 983314460 /nfs/dbraw/zinc/31/44/60/983314460.db2.gz NDTXIVQZKWPQRF-VIFPVBQESA-N -1 0 348.365 3.825 20 0 EHADRM CCCc1c(C(=O)NC[C@@H]2CCC=CCCC2)[nH]c(C)c1C(=O)[O-] ZINC001596037553 983321069 /nfs/dbraw/zinc/32/10/69/983321069.db2.gz RMVYFTPOLUOTMY-CQSZACIVSA-N -1 0 332.444 3.840 20 0 EHADRM CCCc1c(C(=O)NCC[C@H]2CCCC2(C)C)[nH]c(C)c1C(=O)[O-] ZINC001596038006 983325229 /nfs/dbraw/zinc/32/52/29/983325229.db2.gz TYROGSWNNKTNFJ-CYBMUJFWSA-N -1 0 334.460 3.920 20 0 EHADRM CCCc1c(C(=O)Nc2cncc3ccccc32)[nH]c(C)c1C(=O)[O-] ZINC001596046573 983338882 /nfs/dbraw/zinc/33/88/82/983338882.db2.gz BNCNBBBBAUHHPA-UHFFFAOYSA-N -1 0 337.379 3.774 20 0 EHADRM CCCc1ccc([C@H](NC(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)C(C)C)cc1 ZINC001596062322 983371404 /nfs/dbraw/zinc/37/14/04/983371404.db2.gz FIKBGGPHEYBLOO-BMGDILEWSA-N -1 0 346.471 3.841 20 0 EHADRM CCCc1nc(C)c(C(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)o1 ZINC001596082285 983399575 /nfs/dbraw/zinc/39/95/75/983399575.db2.gz QNCOTBWHQVJBKW-UHFFFAOYSA-N -1 0 331.368 3.517 20 0 EHADRM CCCc1nc(C)c(NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)s1 ZINC001596083675 983406041 /nfs/dbraw/zinc/40/60/41/983406041.db2.gz RPMQRGSGUWGNKT-UHFFFAOYSA-N -1 0 347.440 3.766 20 0 EHADRM CCCc1ncc(C(=O)N(c2ccccc2C(=O)[O-])C2CCC2)s1 ZINC001596099544 983423075 /nfs/dbraw/zinc/42/30/75/983423075.db2.gz MGQPBWHIGHLXJC-UHFFFAOYSA-N -1 0 344.436 3.993 20 0 EHADRM CCN(C(=O)Cc1cccc(Cl)c1F)c1ccccc1C(=O)[O-] ZINC001596142793 983494828 /nfs/dbraw/zinc/49/48/28/983494828.db2.gz DHTYNXNGKFIEDE-UHFFFAOYSA-N -1 0 335.762 3.773 20 0 EHADRM CCN(C(=O)COc1cccc(C(=O)[O-])c1)[C@@H](C)c1ccc(F)cc1 ZINC001596145882 983502176 /nfs/dbraw/zinc/50/21/76/983502176.db2.gz ZKYFQWLJIIZJAV-ZDUSSCGKSA-N -1 0 345.370 3.512 20 0 EHADRM CCN(C(=O)c1ccn(Cc2ccccc2)c1)c1ccccc1C(=O)[O-] ZINC001596170583 983535904 /nfs/dbraw/zinc/53/59/04/983535904.db2.gz JIWVNLKGACQGAN-UHFFFAOYSA-N -1 0 348.402 3.901 20 0 EHADRM CCN(C(=O)c1oc(C(=O)[O-])cc1C)c1cccc(C(F)(F)F)c1 ZINC001596174325 983540178 /nfs/dbraw/zinc/54/01/78/983540178.db2.gz BFGDHBQDTQRQJF-UHFFFAOYSA-N -1 0 341.285 3.972 20 0 EHADRM CCN(CC(=O)[O-])C(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C ZINC001596215221 983608247 /nfs/dbraw/zinc/60/82/47/983608247.db2.gz WCAHCFZERCNMEN-UHFFFAOYSA-N -1 0 349.471 3.594 20 0 EHADRM CCN(C[C@@H]1CC(C(=O)[O-])=C(C)O1)c1cccc(C(F)(F)F)c1 ZINC001596292758 983713204 /nfs/dbraw/zinc/71/32/04/983713204.db2.gz QMRCQUWBUFMROO-ZDUSSCGKSA-N -1 0 329.318 3.679 20 0 EHADRM CCN(CC1CCC1)C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001596294280 983715194 /nfs/dbraw/zinc/71/51/94/983715194.db2.gz NNFAIEIEAIEZOH-UHFFFAOYSA-N -1 0 345.443 3.639 20 0 EHADRM CCN(C[C@H]1CCCO1)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001596295040 983716677 /nfs/dbraw/zinc/71/66/77/983716677.db2.gz DIQXSVILZHMPBV-OAHLLOKOSA-N -1 0 342.395 3.571 20 0 EHADRM CCN(CCC(F)(F)F)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001596321309 983754449 /nfs/dbraw/zinc/75/44/49/983754449.db2.gz MDYHCLDIBGKJSA-UHFFFAOYSA-N -1 0 343.305 3.672 20 0 EHADRM CCN(Cc1ccc2ccccc2c1)C(=O)c1ccoc1CC(=O)[O-] ZINC001596364716 983851724 /nfs/dbraw/zinc/85/17/24/983851724.db2.gz ZGASWMJHVOATAN-UHFFFAOYSA-N -1 0 337.375 3.722 20 0 EHADRM CCN(Cc1ccccc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001596371096 983867450 /nfs/dbraw/zinc/86/74/50/983867450.db2.gz GQKDVNKZQNRRAN-UHFFFAOYSA-N -1 0 330.359 3.886 20 0 EHADRM CCN(Cc1nc2cc(C(=O)[O-])ccc2[nH]1)[C@H](C)c1ccc(F)cc1 ZINC001596377527 983887476 /nfs/dbraw/zinc/88/74/76/983887476.db2.gz CVZQHMSJZIJEEV-GFCCVEGCSA-N -1 0 341.386 3.983 20 0 EHADRM CCNC(=O)c1ccc(C)c(N[C@H](C)c2cc(C(=O)[O-])cs2)c1 ZINC001596479999 984209972 /nfs/dbraw/zinc/20/99/72/984209972.db2.gz MHADMZMGFLGKBT-LLVKDONJSA-N -1 0 332.425 3.678 20 0 EHADRM CCNC(=O)c1cccc(N[C@H](CC)c2ccc(C(=O)[O-])cc2)c1 ZINC001596490178 984230568 /nfs/dbraw/zinc/23/05/68/984230568.db2.gz ZSCHQKUQSQPWOE-QGZVFWFLSA-N -1 0 326.396 3.698 20 0 EHADRM CCOC(=O)[C@@H](CC)SCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001596528715 984350888 /nfs/dbraw/zinc/35/08/88/984350888.db2.gz XESLBBQTQVDTEI-CQSZACIVSA-N -1 0 349.408 3.615 20 0 EHADRM CCOC(=O)CCS[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001596613424 984575980 /nfs/dbraw/zinc/57/59/80/984575980.db2.gz BQFYFOFPYQRBJC-GFCCVEGCSA-N -1 0 337.224 3.806 20 0 EHADRM C/C(=C\C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])c1cccc(F)c1 ZINC001588932514 984608687 /nfs/dbraw/zinc/60/86/87/984608687.db2.gz GDZAWFCVYKWNFD-NTEUORMPSA-N -1 0 335.419 3.824 20 0 EHADRM C/C(=C\C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21)c1ccccc1C ZINC001588937484 984616409 /nfs/dbraw/zinc/61/64/09/984616409.db2.gz IZIFTMJJZZQYGZ-XZHVLSEXSA-N -1 0 341.451 3.890 20 0 EHADRM C/C(=C\C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-])c1ccccc1Cl ZINC001588938357 984621428 /nfs/dbraw/zinc/62/14/28/984621428.db2.gz CLBALBSEEUOZBJ-YPVHTGTFSA-N -1 0 335.831 3.893 20 0 EHADRM C/C(=C\C(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1)c1ccc(F)cc1 ZINC001588939193 984627932 /nfs/dbraw/zinc/62/79/32/984627932.db2.gz LVRGKLHEPMKSGF-DOJUMQAQSA-N -1 0 345.345 3.619 20 0 EHADRM C/C(=C/C(=O)NC[C@H](C(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC001588939322 984628638 /nfs/dbraw/zinc/62/86/38/984628638.db2.gz VDPGUCIJGDWHQD-QFSNBGPKSA-N -1 0 343.810 3.728 20 0 EHADRM C/C(=C/C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)c1ccccc1Cl ZINC001588940062 984632655 /nfs/dbraw/zinc/63/26/55/984632655.db2.gz XIQLOOUDYUSOIH-LDRWAACMSA-N -1 0 347.842 3.847 20 0 EHADRM C/C(=C/C(=O)Nc1c(C)ccc(C(=O)[O-])c1O)c1ccccc1C ZINC001588943746 984641049 /nfs/dbraw/zinc/64/10/49/984641049.db2.gz BJMZJKDDWVUYFB-RAXLEYEMSA-N -1 0 325.364 3.749 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)CCCSC(C)(C)C ZINC001599887352 984652526 /nfs/dbraw/zinc/65/25/26/984652526.db2.gz YJHILMOKJLMAMY-CQSZACIVSA-N -1 0 337.485 3.800 20 0 EHADRM C[C@H](CC(=O)[O-])OC(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl ZINC001599889697 984679800 /nfs/dbraw/zinc/67/98/00/984679800.db2.gz WVTOPPVYWVNQEC-ZTHSNPKKSA-N -1 0 336.693 3.778 20 0 EHADRM C[C@H](OC(=O)c1cnc([C@H]2CCCO2)s1)c1ccc(C(=O)[O-])cc1 ZINC001599906653 984931538 /nfs/dbraw/zinc/93/15/38/984931538.db2.gz QZGGDDRWHBGSOR-GXFFZTMASA-N -1 0 347.392 3.611 20 0 EHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)OCc1cccc(C(=O)[O-])n1 ZINC001588998511 984935634 /nfs/dbraw/zinc/93/56/34/984935634.db2.gz LXBBTEXJWJGAQE-LUAWRHEFSA-N -1 0 331.755 3.580 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC001588999492 984937752 /nfs/dbraw/zinc/93/77/52/984937752.db2.gz VSHXQQBRDOKBBR-SEYXRHQNSA-N -1 0 339.366 3.907 20 0 EHADRM C/C(=C/c1ccccc1C(F)(F)F)COC(=O)[C@H](C)CC(=O)[O-] ZINC001589004174 984962238 /nfs/dbraw/zinc/96/22/38/984962238.db2.gz ZIGJOKFIWLPLPK-ZJRUKIMVSA-N -1 0 330.302 3.763 20 0 EHADRM CCOC(=O)c1cccc(SCCOc2cccc(C(=O)[O-])c2)c1 ZINC001596731184 984999816 /nfs/dbraw/zinc/99/98/16/984999816.db2.gz ZNAGGHBOMCOBGR-UHFFFAOYSA-N -1 0 346.404 3.733 20 0 EHADRM C[C@H]1CN(C(=O)C2CCC(c3ccccc3)CC2)C[C@]1(C)C(=O)[O-] ZINC001599914725 985039233 /nfs/dbraw/zinc/03/92/33/985039233.db2.gz TTWSCGBOKIMGJK-HPPGRZHZSA-N -1 0 329.440 3.530 20 0 EHADRM CC(=O)CC(C)(C)CC(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1 ZINC001589029738 985054250 /nfs/dbraw/zinc/05/42/50/985054250.db2.gz KBPHWTWVLGZSHU-MRXNPFEDSA-N -1 0 339.476 3.702 20 0 EHADRM CCO[C@@H](C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)c1ccccc1 ZINC001596768063 985184080 /nfs/dbraw/zinc/18/40/80/985184080.db2.gz UBIWSABXDWUYCG-QGZVFWFLSA-N -1 0 338.363 3.582 20 0 EHADRM CCO[C@@H](C(=O)Nc1cc(C(=O)[O-])ccc1Cl)c1ccccc1 ZINC001596768113 985184114 /nfs/dbraw/zinc/18/41/14/985184114.db2.gz VQQIQTCWDGGOBB-OAHLLOKOSA-N -1 0 333.771 3.755 20 0 EHADRM C[C@H]1CN(C(=O)c2cccc(Oc3ccccc3)c2)C[C@]1(C)C(=O)[O-] ZINC001599925312 985191414 /nfs/dbraw/zinc/19/14/14/985191414.db2.gz MQXXHCAAECUZAY-XOBRGWDASA-N -1 0 339.391 3.662 20 0 EHADRM CCO[C@H](C)c1noc(COc2cccc3cc(C(=O)[O-])ccc32)n1 ZINC001596774067 985199900 /nfs/dbraw/zinc/19/99/00/985199900.db2.gz AOQQDWRAZYJUEL-LLVKDONJSA-N -1 0 342.351 3.598 20 0 EHADRM Cc1[nH]c(-c2csc(-c3cnc4ccccn43)n2)c(C)c1C(=O)[O-] ZINC001599941150 985456679 /nfs/dbraw/zinc/45/66/79/985456679.db2.gz LWVWAOXMAZVZAG-UHFFFAOYSA-N -1 0 338.392 3.768 20 0 EHADRM Cc1[nH]c(-c2ccccc2)nc1C(=O)Nc1cc(C(=O)[O-])sc1C ZINC001599941457 985459877 /nfs/dbraw/zinc/45/98/77/985459877.db2.gz QDKGANYXJPFQHH-UHFFFAOYSA-N -1 0 341.392 3.706 20 0 EHADRM Cc1[nH]c(C(=O)CN[C@H](c2ccccc2F)C(C)C)c(C)c1C(=O)[O-] ZINC001599946193 985531793 /nfs/dbraw/zinc/53/17/93/985531793.db2.gz AZDYFMRZLYJDCR-KRWDZBQOSA-N -1 0 346.402 3.638 20 0 EHADRM CC(=O)Nc1ccc(C)c(C(=O)Nc2ccc(C)c(C)c2C(=O)[O-])c1 ZINC001589189909 985588320 /nfs/dbraw/zinc/58/83/20/985588320.db2.gz MINDOZRFOFWARY-UHFFFAOYSA-N -1 0 340.379 3.521 20 0 EHADRM C[C@H]1CN(C(=O)c2ccccc2SCc2occc2C(=O)[O-])[C@H]1C ZINC001594494050 985622868 /nfs/dbraw/zinc/62/28/68/985622868.db2.gz JKPJCKLQDTXTIK-RYUDHWBXSA-N -1 0 345.420 3.751 20 0 EHADRM Cc1[nH]c(C(=O)Nc2ccccc2OCC(C)C)c(C)c1C(=O)[O-] ZINC001599954880 985670880 /nfs/dbraw/zinc/67/08/80/985670880.db2.gz PJWLGFPOZXCPRK-UHFFFAOYSA-N -1 0 330.384 3.617 20 0 EHADRM Cc1[nH]c(C(=O)Nc2cccc(N3CCCCC3)c2)c(C)c1C(=O)[O-] ZINC001599955013 985673441 /nfs/dbraw/zinc/67/34/41/985673441.db2.gz YROWBJJSDUQXBV-UHFFFAOYSA-N -1 0 341.411 3.572 20 0 EHADRM Cc1cc(NC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)nn1C1CCCCC1 ZINC001599956743 985701964 /nfs/dbraw/zinc/70/19/64/985701964.db2.gz NSRZNXCGLUBKES-UHFFFAOYSA-N -1 0 344.415 3.592 20 0 EHADRM C[C@H]1CN(C)c2ccccc2N(Cc2ccc(C(=O)[O-])cc2F)C1 ZINC001594507445 985727643 /nfs/dbraw/zinc/72/76/43/985727643.db2.gz NWMBPMRORDPORF-ZDUSSCGKSA-N -1 0 328.387 3.616 20 0 EHADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CNC1(c2ccccc2Cl)CCC1 ZINC001599960836 985777251 /nfs/dbraw/zinc/77/72/51/985777251.db2.gz OJHADOGQSPYJMU-UHFFFAOYSA-N -1 0 346.814 3.526 20 0 EHADRM Cc1[nH]c(CN(C)[C@H](C)c2nc3ccccc3s2)cc1C(=O)[O-] ZINC001599960990 985780781 /nfs/dbraw/zinc/78/07/81/985780781.db2.gz BBTBSBGLLUWIMI-LLVKDONJSA-N -1 0 329.425 3.824 20 0 EHADRM Cc1[nH]c(CN[C@@H](c2cccc(Cl)c2)C(F)F)cc1C(=O)[O-] ZINC001599964464 985871069 /nfs/dbraw/zinc/87/10/69/985871069.db2.gz JHVWHAWPTISDQZ-ZDUSSCGKSA-N -1 0 328.746 3.771 20 0 EHADRM CC(=O)c1ccc(C(=O)O[C@H](CCCc2ccccc2)C(=O)[O-])s1 ZINC001589279359 986003798 /nfs/dbraw/zinc/00/37/98/986003798.db2.gz PLJSENLNCZFZCJ-CQSZACIVSA-N -1 0 346.404 3.584 20 0 EHADRM CCOCc1nc(Cl)cc(NCCCCC2(C(=O)[O-])CCC2)n1 ZINC001596952114 986120467 /nfs/dbraw/zinc/12/04/67/986120467.db2.gz CAGHYUIVGYXQLW-UHFFFAOYSA-N -1 0 341.839 3.504 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001599979074 986136626 /nfs/dbraw/zinc/13/66/26/986136626.db2.gz SKVXOUFRCGSOGZ-MRVPVSSYSA-N -1 0 348.355 3.526 20 0 EHADRM Cc1c2cccc(Cl)c2[nH]c1C(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1 ZINC001599983276 986194128 /nfs/dbraw/zinc/19/41/28/986194128.db2.gz IPJDZYUBOVGVQR-QHKAPQIGSA-N -1 0 348.830 3.893 20 0 EHADRM Cc1c(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)cnc2ccccc12 ZINC001599984083 986206028 /nfs/dbraw/zinc/20/60/28/986206028.db2.gz ZMQXMIKMYYSMHB-DLBZAZTESA-N -1 0 346.386 3.984 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)c3cccc(F)c3F)ccc2n1C ZINC001599984571 986210949 /nfs/dbraw/zinc/21/09/49/986210949.db2.gz RBBGUNVXAIKSRQ-UHFFFAOYSA-N -1 0 345.301 3.682 20 0 EHADRM C[C@@H](C(=O)N1CCCc2c(C(=O)[O-])cccc21)c1ccc(F)c(F)c1 ZINC001589359558 986357985 /nfs/dbraw/zinc/35/79/85/986357985.db2.gz UCCFVLHPUGLBBX-LLVKDONJSA-N -1 0 345.345 3.746 20 0 EHADRM C[C@H](C(=O)N1CCCc2ccc(C(=O)[O-])cc21)c1c(F)cccc1F ZINC001589359725 986359445 /nfs/dbraw/zinc/35/94/45/986359445.db2.gz XLGQXKBTBFUJNP-NSHDSACASA-N -1 0 345.345 3.746 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CCC(C)(C2CC2)CC1 ZINC001597014185 986360321 /nfs/dbraw/zinc/36/03/21/986360321.db2.gz DEAWAPHAPJIXFS-UHFFFAOYSA-N -1 0 346.427 3.828 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)Cc1cc(C)cc(C)c1 ZINC001597016177 986376651 /nfs/dbraw/zinc/37/66/51/986376651.db2.gz NLSSCCGYVFZNBO-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)C[C@H]1CCc2ccccc21 ZINC001597016273 986377928 /nfs/dbraw/zinc/37/79/28/986377928.db2.gz ULZCCPRGDMALDY-CQSZACIVSA-N -1 0 339.391 3.842 20 0 EHADRM Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1ccc([O-])c(Cl)c1 ZINC000047186297 1015215168 /nfs/dbraw/zinc/21/51/68/1015215168.db2.gz UBOXGTWBBLTTPO-UHFFFAOYSA-N -1 0 344.798 3.955 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC001597016650 986384126 /nfs/dbraw/zinc/38/41/26/986384126.db2.gz IJSSCFSSPYGBFP-WFASDCNBSA-N -1 0 332.400 3.580 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@H](CC)CC(F)(F)F ZINC001597016906 986387394 /nfs/dbraw/zinc/38/73/94/986387394.db2.gz NJVAFDAVHXBNLL-SNVBAGLBSA-N -1 0 348.321 3.636 20 0 EHADRM C[C@H]([C@H](C)C(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1)C(C)(C)C ZINC001589365538 986391724 /nfs/dbraw/zinc/39/17/24/986391724.db2.gz VMHITZZYDOYWFM-NWDGAFQWSA-N -1 0 335.419 3.727 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NC1C[C@H](C)C[C@@H](C)C1 ZINC001597019865 986396437 /nfs/dbraw/zinc/39/64/37/986396437.db2.gz AKNPPJNFVKPAFW-VXGBXAGGSA-N -1 0 334.416 3.730 20 0 EHADRM C[C@@H](C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1)c1c(Cl)cccc1Cl ZINC001589369644 986418918 /nfs/dbraw/zinc/41/89/18/986418918.db2.gz WZIFEPCHORCOOZ-IEVXNVSRSA-N -1 0 344.238 3.666 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1cccc2cccnc21 ZINC001597024615 986429070 /nfs/dbraw/zinc/42/90/70/986429070.db2.gz BDDKWYBDBLLKAY-UHFFFAOYSA-N -1 0 336.347 3.584 20 0 EHADRM C[C@H](C(=O)N[C@H](C(=O)[O-])c1ccccc1F)c1cc2ccccc2o1 ZINC001589378257 986440768 /nfs/dbraw/zinc/44/07/68/986440768.db2.gz GCZAZQDJTJDWKV-GTNSWQLSSA-N -1 0 341.338 3.618 20 0 EHADRM CCOc1cc(C)ccc1N[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001597032750 986458080 /nfs/dbraw/zinc/45/80/80/986458080.db2.gz QXVSGZDUJFOVLT-ZDUSSCGKSA-N -1 0 344.411 3.720 20 0 EHADRM CCOc1cc(NCc2ccccc2O[C@@H](C)C(=O)[O-])ccc1OC ZINC001597043061 986498233 /nfs/dbraw/zinc/49/82/33/986498233.db2.gz KTWFCKJJNYPTDW-ZDUSSCGKSA-N -1 0 345.395 3.558 20 0 EHADRM C[C@H]1COc2ccccc2N1Cc1ccc(C(=O)[O-])c2cccnc12 ZINC001594610523 986600101 /nfs/dbraw/zinc/60/01/01/986600101.db2.gz QGLKSTCRCSOIKJ-ZDUSSCGKSA-N -1 0 334.375 3.721 20 0 EHADRM C[C@H]1CSc2ccccc2N1C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001594612348 986608253 /nfs/dbraw/zinc/60/82/53/986608253.db2.gz KMMUAHNCBZRZBN-ZADCQDASSA-N -1 0 329.377 3.518 20 0 EHADRM C[C@H]1Cc2cc(C(=O)Nc3ccc(Cl)cc3C(=O)[O-])ccc2O1 ZINC001594615394 986632215 /nfs/dbraw/zinc/63/22/15/986632215.db2.gz NMJWSNPCTIJOEO-VIFPVBQESA-N -1 0 331.755 3.614 20 0 EHADRM CCOc1ccc(C[C@@H](C)C(=O)Nc2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001597083968 986640656 /nfs/dbraw/zinc/64/06/56/986640656.db2.gz BXNWRYHTHDQBAE-CQSZACIVSA-N -1 0 341.407 3.909 20 0 EHADRM C[C@H]1Cc2cccc(C(=O)Nc3scc(C4CC4)c3C(=O)[O-])c2O1 ZINC001594619166 986647299 /nfs/dbraw/zinc/64/72/99/986647299.db2.gz AFERGRZEESEQCQ-VIFPVBQESA-N -1 0 343.404 3.899 20 0 EHADRM C[C@H]1N(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)CCOC1(C)C ZINC001594624649 986687228 /nfs/dbraw/zinc/68/72/28/986687228.db2.gz ATHQCPLGEGAPMA-GFCCVEGCSA-N -1 0 346.452 3.508 20 0 EHADRM C[C@@H]1N(C(=O)NCc2ccc(C(=O)[O-])s2)c2ccccc2C1(C)C ZINC001594627331 986698337 /nfs/dbraw/zinc/69/83/37/986698337.db2.gz SVDSKBJPZIEHSX-NSHDSACASA-N -1 0 344.436 3.842 20 0 EHADRM CCOc1ccc(CN[C@@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])o1 ZINC001597100726 986708499 /nfs/dbraw/zinc/70/84/99/986708499.db2.gz FHEICGQNSVXCLM-QAPCUYQASA-N -1 0 343.423 3.731 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc(Br)cc1Cl ZINC000263530351 1125496884 /nfs/dbraw/zinc/49/68/84/1125496884.db2.gz WDFZDLBVCSOUPP-KOLCDFICSA-N -1 0 346.652 3.788 20 0 EHADRM CCOc1ccc(Cl)c(NC(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC001597106301 986747819 /nfs/dbraw/zinc/74/78/19/986747819.db2.gz NHAVTZONKFIINS-UHFFFAOYSA-N -1 0 337.734 3.828 20 0 EHADRM CCOc1ccc(Cl)c(NC(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC001597106808 986751033 /nfs/dbraw/zinc/75/10/33/986751033.db2.gz SSNAGGDFHXVASH-UHFFFAOYSA-N -1 0 337.734 3.828 20 0 EHADRM C[C@H](C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)C(=O)OC(C)(C)C ZINC001589440588 986787982 /nfs/dbraw/zinc/78/79/82/986787982.db2.gz ZLSADGSTRIEOKY-SECBINFHSA-N -1 0 349.408 3.516 20 0 EHADRM CCOc1ccc(NC(=O)Cc2cc(C)ccc2C)c(C(=O)[O-])c1F ZINC001597118122 986796701 /nfs/dbraw/zinc/79/67/01/986796701.db2.gz PWWFLUUBVZNYKJ-UHFFFAOYSA-N -1 0 345.370 3.721 20 0 EHADRM CCOc1ccc(NC(=O)NC[C@H](C(=O)[O-])C2CCCCC2)c(C)c1 ZINC001597119320 986804698 /nfs/dbraw/zinc/80/46/98/986804698.db2.gz QYHLIKYKSOFIEQ-INIZCTEOSA-N -1 0 348.443 3.796 20 0 EHADRM CCOc1ccc(NCc2nc(C(=O)[O-])cs2)c(C(F)(F)F)c1 ZINC001597122500 986817104 /nfs/dbraw/zinc/81/71/04/986817104.db2.gz BVYWTOXGAXBTET-UHFFFAOYSA-N -1 0 346.330 3.871 20 0 EHADRM C[C@H](C(=O)Nc1sc(C2CCCCC2)cc1C(=O)[O-])n1cccn1 ZINC001589448645 986828877 /nfs/dbraw/zinc/82/88/77/986828877.db2.gz RGYOAFPZGHAUMB-LLVKDONJSA-N -1 0 347.440 3.890 20 0 EHADRM CCOc1ccc([C@H](C)OC(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC001597139673 986881216 /nfs/dbraw/zinc/88/12/16/986881216.db2.gz FENOJNQDMAUFAG-ZDUSSCGKSA-N -1 0 328.364 3.630 20 0 EHADRM CCOc1cccc(C(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])c1 ZINC001597145658 986907167 /nfs/dbraw/zinc/90/71/67/986907167.db2.gz KFVLFUCZIYNLAS-UHFFFAOYSA-N -1 0 333.771 3.998 20 0 EHADRM C[C@@H]1SCC[C@H]1NC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001594664588 986953246 /nfs/dbraw/zinc/95/32/46/986953246.db2.gz UQSCHPAJPMNNRY-GZMMTYOYSA-N -1 0 336.438 3.615 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)CCc1c(Cl)cccc1Cl)C1CCC1 ZINC001589472933 986970166 /nfs/dbraw/zinc/97/01/66/986970166.db2.gz VHSYEWMXRIFXMD-SNVBAGLBSA-N -1 0 344.238 3.780 20 0 EHADRM CCOc1ccccc1-c1cccc(C(=O)OCCCC(=O)[O-])c1 ZINC001597167084 986988727 /nfs/dbraw/zinc/98/87/27/986988727.db2.gz HXAFMTQFOLITLC-UHFFFAOYSA-N -1 0 328.364 3.774 20 0 EHADRM C/C=C(/C=C/C(=O)Nc1cc(CCC(=O)[O-])ccc1OCOC)CC ZINC001594677320 987014797 /nfs/dbraw/zinc/01/47/97/987014797.db2.gz JQCJAEXDPHQQCW-MGCFMDGASA-N -1 0 347.411 3.538 20 0 EHADRM C/C=C(/C=C/C(=O)N[C@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-])CC ZINC001594677628 987016509 /nfs/dbraw/zinc/01/65/09/987016509.db2.gz PVTVLBDFMXBYQD-SELJRDIVSA-N -1 0 341.451 3.979 20 0 EHADRM CCOc1ccccc1N(C)Cc1ccc(C(=O)[O-])c2cccnc12 ZINC001597178853 987029943 /nfs/dbraw/zinc/02/99/43/987029943.db2.gz WVOMXRBPIZQXGO-UHFFFAOYSA-N -1 0 336.391 3.968 20 0 EHADRM CCOc1ccccc1OCCCC(=O)Oc1ccc(C(=O)[O-])cc1 ZINC001597185228 987046867 /nfs/dbraw/zinc/04/68/67/987046867.db2.gz NBGURBJVGFUDLU-UHFFFAOYSA-N -1 0 344.363 3.548 20 0 EHADRM C/C=C/C[C@@H]1CCCN(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)C1 ZINC001594686348 987064614 /nfs/dbraw/zinc/06/46/14/987064614.db2.gz STZGDBHFYGIZNB-YWVDXFKGSA-N -1 0 334.391 3.663 20 0 EHADRM CC/C(=C/C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)c1ccc(C)cc1 ZINC001594690562 987080177 /nfs/dbraw/zinc/08/01/77/987080177.db2.gz BHCZGGIIJHDVKW-XWDUBAFNSA-N -1 0 327.424 3.502 20 0 EHADRM CC/C(=C/C(=O)N(CC)c1ncc(C(=O)[O-])s1)c1ccc(C)cc1 ZINC001594691778 987093917 /nfs/dbraw/zinc/09/39/17/987093917.db2.gz NMOIPLJEVGIQSR-RAXLEYEMSA-N -1 0 344.436 3.996 20 0 EHADRM CC/C(=C\C(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])c1cccc(Cl)c1 ZINC001594692199 987102113 /nfs/dbraw/zinc/10/21/13/987102113.db2.gz WTGRAVOAABPCSE-JTOMGZGXSA-N -1 0 333.815 3.599 20 0 EHADRM CCC(=O)[C@@H](C)OC(=O)c1ccc(-c2ccc(C(=O)[O-])cc2)cc1 ZINC001594693973 987105155 /nfs/dbraw/zinc/10/51/55/987105155.db2.gz KGNMONCROJRBTH-GFCCVEGCSA-N -1 0 326.348 3.576 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)Cc2ccc(-n3cccc3)cc2)cc1 ZINC001589505270 987118607 /nfs/dbraw/zinc/11/86/07/987118607.db2.gz SIUMACGDCZMNLH-OAHLLOKOSA-N -1 0 348.402 3.847 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N(C)CCCc2ccccc2)cc1 ZINC001589505581 987121515 /nfs/dbraw/zinc/12/15/15/987121515.db2.gz UXUYFUIEUDOZJQ-HNNXBMFYSA-N -1 0 340.423 3.971 20 0 EHADRM CC(C)[C@H]1N(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)CC12CCC2 ZINC001589508670 987130748 /nfs/dbraw/zinc/13/07/48/987130748.db2.gz LJJLOLMCWDTGDQ-XJKSGUPXSA-N -1 0 330.428 3.917 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)cc1 ZINC001589510870 987137210 /nfs/dbraw/zinc/13/72/10/987137210.db2.gz XEIFJWGXOKTDFH-WRFANHODSA-N -1 0 330.428 3.917 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2coc(C3CCCC3)n2)cc1 ZINC001589521681 987168928 /nfs/dbraw/zinc/16/89/28/987168928.db2.gz RXOJAPISEVJUAO-NSHDSACASA-N -1 0 328.368 3.773 20 0 EHADRM CCC(=O)Nc1cccc(C(=O)Nc2ccc(C)c(C)c2C(=O)[O-])c1 ZINC001594713319 987182000 /nfs/dbraw/zinc/18/20/00/987182000.db2.gz SGSMGPFSYNUSHG-UHFFFAOYSA-N -1 0 340.379 3.602 20 0 EHADRM CCC(=O)c1ccc(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)cc1 ZINC001594716905 987190898 /nfs/dbraw/zinc/19/08/98/987190898.db2.gz GZNZRTMMDANQAI-UHFFFAOYSA-N -1 0 348.358 3.778 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cc3ccccc3cc2O)c1 ZINC001589531543 987204601 /nfs/dbraw/zinc/20/46/01/987204601.db2.gz GYMQQZXLNPJECQ-GFCCVEGCSA-N -1 0 335.359 3.986 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cccn2Cc2ccccc2)c1 ZINC001589531748 987206744 /nfs/dbraw/zinc/20/67/44/987206744.db2.gz JFQHWTYGCPERDW-OAHLLOKOSA-N -1 0 348.402 3.977 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)Nc2cc(C(C)(C)C)nn2C)c1 ZINC001589532909 987219979 /nfs/dbraw/zinc/21/99/79/987219979.db2.gz HXILVRFKNVAZJG-NSHDSACASA-N -1 0 344.415 3.550 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)Nc2cc(C(C)(C)C)nn2C)c1 ZINC001589532904 987220336 /nfs/dbraw/zinc/22/03/36/987220336.db2.gz HXILVRFKNVAZJG-LLVKDONJSA-N -1 0 344.415 3.550 20 0 EHADRM CC[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(C)c(C)c1)c1ccccc1 ZINC001594729031 987238468 /nfs/dbraw/zinc/23/84/68/987238468.db2.gz MJBAMSXDGMTWJJ-ZWKOTPCHSA-N -1 0 325.408 3.739 20 0 EHADRM CC[C@H](C(=O)N[C@@H](C(=O)[O-])c1cc(C)cc(C)c1)c1ccc(F)cc1 ZINC001594729092 987239446 /nfs/dbraw/zinc/23/94/46/987239446.db2.gz MQJACLDJMMTXGE-ZWKOTPCHSA-N -1 0 343.398 3.878 20 0 EHADRM CC[C@@H](C(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1)c1ccc(OC)cc1 ZINC001594734208 987259636 /nfs/dbraw/zinc/25/96/36/987259636.db2.gz PSMJSTXDZQZBNS-OXQOHEQNSA-N -1 0 347.455 3.729 20 0 EHADRM C[C@@H](C(=O)OCc1ccccc1C(=O)[O-])c1cn(C)c2ccccc12 ZINC001589547996 987273449 /nfs/dbraw/zinc/27/34/49/987273449.db2.gz WCYXVBIMZRYXLZ-CYBMUJFWSA-N -1 0 337.375 3.723 20 0 EHADRM C[C@H](C(=O)OCCCCCC(=O)[O-])c1ccc(Br)s1 ZINC001589548533 987277181 /nfs/dbraw/zinc/27/71/81/987277181.db2.gz GHFXWYZIPNEPCK-VIFPVBQESA-N -1 0 349.246 3.802 20 0 EHADRM C[C@@H](C(=O)OCc1ccc(C(=O)[O-])cc1F)c1ccc(F)c(F)c1 ZINC001589548719 987278982 /nfs/dbraw/zinc/27/89/82/987278982.db2.gz MQTAQDPFJABMDC-SECBINFHSA-N -1 0 338.281 3.649 20 0 EHADRM CCSc1ccc(CC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC001597273243 987327961 /nfs/dbraw/zinc/32/79/61/987327961.db2.gz VCKAEWPYZBYFRG-XIRDDKMYSA-N -1 0 347.480 3.585 20 0 EHADRM CCSc1ccccc1C(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1 ZINC001597279885 987346025 /nfs/dbraw/zinc/34/60/25/987346025.db2.gz ROZMHVUNPJIDJI-UHFFFAOYSA-N -1 0 341.392 3.625 20 0 EHADRM CCSc1ccccc1CCNC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001597279877 987346245 /nfs/dbraw/zinc/34/62/45/987346245.db2.gz REQPKBLSORDRPK-UHFFFAOYSA-N -1 0 347.411 3.608 20 0 EHADRM CC[C@@H]1C[C@H]1C(=O)N(C)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001597297730 987402222 /nfs/dbraw/zinc/40/22/22/987402222.db2.gz YBLZNIXGDFWBKT-ZDSQKVDBSA-N -1 0 330.211 3.624 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)NC1CCCCCC1)c1ccccc1 ZINC001589594018 987409695 /nfs/dbraw/zinc/40/96/95/987409695.db2.gz MEPBELNLFJKXAR-INIZCTEOSA-N -1 0 332.444 3.861 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)/C=C\CCc2ccccc2)C1 ZINC001589605844 987451226 /nfs/dbraw/zinc/45/12/26/987451226.db2.gz RLDUPCDVOFWTJN-FUIJVIPGSA-N -1 0 329.440 3.525 20 0 EHADRM CC[C@H](NC(=O)Nc1cc(C)c(C(=O)[O-])cn1)c1ccc(C)c(F)c1 ZINC001597335682 987471693 /nfs/dbraw/zinc/47/16/93/987471693.db2.gz ALADDRRMAODASE-HNNXBMFYSA-N -1 0 345.374 3.809 20 0 EHADRM CC[C@H](NC(=O)NCc1cc(C)c(C(=O)[O-])o1)c1ccc(C)c(F)c1 ZINC001597335791 987471870 /nfs/dbraw/zinc/47/18/70/987471870.db2.gz CVWLGVXTMQCNPY-HNNXBMFYSA-N -1 0 348.374 3.684 20 0 EHADRM CCc1[nH]c(C(=O)N2c3ccccc3CC[C@H]2CC)c(C)c1C(=O)[O-] ZINC001597362371 987526922 /nfs/dbraw/zinc/52/69/22/987526922.db2.gz XWWJHANHMHTTBQ-CQSZACIVSA-N -1 0 340.423 3.955 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC[C@H]2C[C@@]2(C)Br)cc1 ZINC001589640658 987562315 /nfs/dbraw/zinc/56/23/15/987562315.db2.gz ASFNPRFORZAWNF-IAQYHMDHSA-N -1 0 326.234 3.634 20 0 EHADRM CCc1[nH]c(C(=O)Oc2ccc(OC3CCC3)cc2)c(C)c1C(=O)[O-] ZINC001597380384 987572989 /nfs/dbraw/zinc/57/29/89/987572989.db2.gz ILGLYOSOEPGSHC-UHFFFAOYSA-N -1 0 343.379 3.734 20 0 EHADRM CCc1[nH]c(CN2CCO[C@@H](c3cccc(Cl)c3)C2)cc1C(=O)[O-] ZINC001597386100 987601296 /nfs/dbraw/zinc/60/12/96/987601296.db2.gz CNYUKPRRDCAACM-QGZVFWFLSA-N -1 0 348.830 3.502 20 0 EHADRM CCc1[nH]c(CNc2ccc3c(c2)[C@H](O)CCCC3)cc1C(=O)[O-] ZINC001597398881 987654708 /nfs/dbraw/zinc/65/47/08/987654708.db2.gz XDSGRXPPPPTQHJ-GOSISDBHSA-N -1 0 328.412 3.647 20 0 EHADRM CCc1c(C(=O)Nc2cccc(C(=O)[O-])c2C)cnn1C1CCCC1 ZINC001597412440 987705735 /nfs/dbraw/zinc/70/57/35/987705735.db2.gz HOPCBJPXIUSOGU-UHFFFAOYSA-N -1 0 341.411 3.820 20 0 EHADRM CCc1cc(=O)oc2cc(OCc3cc(C(=O)[O-])c(C)o3)ccc12 ZINC001597424590 987747964 /nfs/dbraw/zinc/74/79/64/987747964.db2.gz RXEHPEQIAGSRQD-UHFFFAOYSA-N -1 0 328.320 3.534 20 0 EHADRM CCc1cc(C(=O)N[C@H](CC(=O)[O-])C2CC2)sc1-c1ccccc1 ZINC001597429709 987767185 /nfs/dbraw/zinc/76/71/85/987767185.db2.gz PEBMVRDTYMABIR-OAHLLOKOSA-N -1 0 343.448 3.961 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)[C@@H](c1ccncc1)C1CCCCC1 ZINC001589700437 987791045 /nfs/dbraw/zinc/79/10/45/987791045.db2.gz LMTMNUUCTKAECL-SJLPKXTDSA-N -1 0 346.471 3.751 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)CCCc1ccc(Cl)cc1 ZINC001589701377 987796320 /nfs/dbraw/zinc/79/63/20/987796320.db2.gz YXGFKTBGRPRDBA-AWEZNQCLSA-N -1 0 325.836 3.668 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)CO[C@H]2CCCC[C@@H]2C)s1 ZINC001597440650 987800101 /nfs/dbraw/zinc/80/01/01/987800101.db2.gz HTQIJRUJLQVVLL-GWCFXTLKSA-N -1 0 325.430 3.543 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2ccc(Cl)c(OC)c2)s1 ZINC001597445566 987818025 /nfs/dbraw/zinc/81/80/25/987818025.db2.gz ONJWNKKRIZCONX-UHFFFAOYSA-N -1 0 339.800 3.923 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1CCOc2c(F)cccc21 ZINC001597449905 987836495 /nfs/dbraw/zinc/83/64/95/987836495.db2.gz MYKKJICZUATNPQ-CQSZACIVSA-N -1 0 343.354 3.591 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)Cc1ccccc1OC(F)F ZINC001597451850 987844596 /nfs/dbraw/zinc/84/45/96/987844596.db2.gz JGNYXOJPSFZKRC-UHFFFAOYSA-N -1 0 349.333 3.730 20 0 EHADRM CC(C)(C)[C@H](NC(=O)/C=C\c1cc(C(=O)[O-])co1)c1ccccc1 ZINC001589712996 987851950 /nfs/dbraw/zinc/85/19/50/987851950.db2.gz XKRGVYUELHYYOG-DOOKAGJSSA-N -1 0 327.380 3.895 20 0 EHADRM CC(C)(C)[C@H](NC(=O)NC[C@H](CC(=O)[O-])C1CC1)c1ccccc1 ZINC001589715364 987853055 /nfs/dbraw/zinc/85/30/55/987853055.db2.gz BEGKKTZBSGBBQM-DOTOQJQBSA-N -1 0 332.444 3.574 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001597453077 987853445 /nfs/dbraw/zinc/85/34/45/987853445.db2.gz KVHHXYBALRESMB-GOEBONIOSA-N -1 0 330.428 3.991 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)NCc1cc(C(=O)[O-])co1)c1ccccc1 ZINC001589716854 987862422 /nfs/dbraw/zinc/86/24/22/987862422.db2.gz RXQRJQZAVITLLR-HNNXBMFYSA-N -1 0 330.384 3.564 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H](CC)CC(F)(F)F ZINC001597456638 987863971 /nfs/dbraw/zinc/86/39/71/987863971.db2.gz JMIYPNUGUUTLRM-NSHDSACASA-N -1 0 332.322 3.800 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@H](c1ccncc1)C1CC1 ZINC001597457555 987874512 /nfs/dbraw/zinc/87/45/12/987874512.db2.gz WKIRTEMKVYSRFP-KRWDZBQOSA-N -1 0 339.395 3.615 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCc1nc(C(C)(C)C)co1 ZINC001597458053 987879859 /nfs/dbraw/zinc/87/98/59/987879859.db2.gz AUOQSGKRUKYKOE-UHFFFAOYSA-N -1 0 345.399 3.554 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC001597459757 987887661 /nfs/dbraw/zinc/88/76/61/987887661.db2.gz LWGGZDVQKADGNT-IAGOWNOFSA-N -1 0 338.407 3.872 20 0 EHADRM CC(C)(C)[C@@H](Sc1nnc(NCc2cccs2)s1)C(=O)[O-] ZINC001589722579 987892584 /nfs/dbraw/zinc/89/25/84/987892584.db2.gz KFRBPPARDQPDMG-VIFPVBQESA-N -1 0 343.499 3.803 20 0 EHADRM CC(C)(C)C1CC(C(=O)NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)C1 ZINC001589726525 987909951 /nfs/dbraw/zinc/90/99/51/987909951.db2.gz INBMRGWDYFFQHN-KLAILNCOSA-N -1 0 343.467 3.993 20 0 EHADRM CC(C)(C)[C@H]1C[C@@H](OC(=O)C23CCC(C(=O)[O-])(CC2)CC3)CCO1 ZINC001589727178 987920904 /nfs/dbraw/zinc/92/09/04/987920904.db2.gz XHTDFGMSVIZLFT-GAVPKDGKSA-N -1 0 338.444 3.549 20 0 EHADRM CC(C)(C)[C@@H]1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CCO1 ZINC001589731364 987946440 /nfs/dbraw/zinc/94/64/40/987946440.db2.gz BRYQMWDJPNTWRN-LSDHHAIUSA-N -1 0 325.836 3.603 20 0 EHADRM CS[C@H]1CC[C@@H](NC(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)C1 ZINC001599787420 987947660 /nfs/dbraw/zinc/94/76/60/987947660.db2.gz DQPXNJHEPJZXGM-OCCSQVGLSA-N -1 0 344.436 3.944 20 0 EHADRM CC(C)(C)[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2Cl)CCO1 ZINC001589732466 987962096 /nfs/dbraw/zinc/96/20/96/987962096.db2.gz QIAOCEPPPQBUNL-GJZGRUSLSA-N -1 0 325.836 3.603 20 0 EHADRM CSCC(C)(C)NC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001599790854 988005767 /nfs/dbraw/zinc/00/57/67/988005767.db2.gz NLSKOAZYYKSYPV-UHFFFAOYSA-N -1 0 338.454 3.863 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC001589743202 988023623 /nfs/dbraw/zinc/02/36/23/988023623.db2.gz GWPSYZYBCVMKAV-KURKYZTESA-N -1 0 339.435 3.949 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)Cc1ccccc1OC1CCCC1)C(=O)[O-] ZINC001589745630 988041714 /nfs/dbraw/zinc/04/17/14/988041714.db2.gz QZLOUBWASSUZMD-INIZCTEOSA-N -1 0 347.455 3.556 20 0 EHADRM CCc1ccc(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)s1 ZINC001597503657 988072817 /nfs/dbraw/zinc/07/28/17/988072817.db2.gz VOKHIAQNUYQHMG-UHFFFAOYSA-N -1 0 326.377 3.809 20 0 EHADRM CCc1ccc(C(C)(C)CNC(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC001597508310 988085573 /nfs/dbraw/zinc/08/55/73/988085573.db2.gz MQDYZTKNVOGKIO-UHFFFAOYSA-N -1 0 339.435 3.963 20 0 EHADRM CCc1ccc([C@@H](COC)N[C@H](C(=O)[O-])c2cccc(Cl)c2)o1 ZINC001597513056 988103853 /nfs/dbraw/zinc/10/38/53/988103853.db2.gz JDSBRMBADPVJEC-ZBFHGGJFSA-N -1 0 337.803 3.598 20 0 EHADRM CSCCCCCCC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001599797730 988124856 /nfs/dbraw/zinc/12/48/56/988124856.db2.gz WEQDDBUIJMNKSL-IAGOWNOFSA-N -1 0 349.496 3.627 20 0 EHADRM CCc1ccc([C@@H](NC(=O)[C@@H](C)CC(=O)[O-])c2cccc(F)c2)cc1 ZINC001597514895 988124890 /nfs/dbraw/zinc/12/48/90/988124890.db2.gz XSXDZAUGRZYJDO-ORAYPTAESA-N -1 0 343.398 3.705 20 0 EHADRM CC(C)(C)CCCCNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC001589771836 988125295 /nfs/dbraw/zinc/12/52/95/988125295.db2.gz JZISICQRZRWMOF-UHFFFAOYSA-N -1 0 347.864 3.533 20 0 EHADRM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NC2CC(CC(=O)[O-])C2)o1 ZINC001597517421 988132968 /nfs/dbraw/zinc/13/29/68/988132968.db2.gz MMBZCOUZXWIDQG-WOICTCIZSA-N -1 0 348.443 3.578 20 0 EHADRM CCc1ccc(F)cc1C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001597530450 988183992 /nfs/dbraw/zinc/18/39/92/988183992.db2.gz AKCDSHGNTAXBJR-KRWDZBQOSA-N -1 0 343.398 3.970 20 0 EHADRM CCc1ccc(F)cc1C(=O)N[C@@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC001597530646 988186575 /nfs/dbraw/zinc/18/65/75/988186575.db2.gz INJHUFXJOZABBR-QGZVFWFLSA-N -1 0 329.371 3.561 20 0 EHADRM CSCc1cccc(-c2noc(-c3ccc(C(=O)[O-])cc3)n2)c1 ZINC001599803196 988211459 /nfs/dbraw/zinc/21/14/59/988211459.db2.gz PSUFFOXTHNINAG-UHFFFAOYSA-N -1 0 326.377 3.965 20 0 EHADRM CCc1ccc(NC(=O)C(F)(F)Cc2ccccc2)c(C(=O)[O-])c1 ZINC001597543143 988238898 /nfs/dbraw/zinc/23/88/98/988238898.db2.gz UYDIUUMNMCLGCQ-UHFFFAOYSA-N -1 0 333.334 3.764 20 0 EHADRM CCc1ccc(NC(=O)COC/C=C/c2ccccc2)c(C(=O)[O-])c1 ZINC001597545051 988245159 /nfs/dbraw/zinc/24/51/59/988245159.db2.gz ORLIBNWRVMZPHR-RMKNXTFCSA-N -1 0 339.391 3.616 20 0 EHADRM CCc1ccc(NC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])cc1C ZINC001597546315 988249959 /nfs/dbraw/zinc/24/99/59/988249959.db2.gz BWXOJAAAWHDIEY-UHFFFAOYSA-N -1 0 336.391 3.918 20 0 EHADRM CCc1ccc(NC(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)cc1C ZINC001597546759 988253424 /nfs/dbraw/zinc/25/34/24/988253424.db2.gz KUJYSLUHLUZHTD-KRWDZBQOSA-N -1 0 344.386 3.686 20 0 EHADRM CSc1c(F)cccc1C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC001599806024 988257147 /nfs/dbraw/zinc/25/71/47/988257147.db2.gz IJMWZBWIVDIGCK-ZDUSSCGKSA-N -1 0 338.331 3.669 20 0 EHADRM CCc1ccc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1C ZINC001597547383 988259211 /nfs/dbraw/zinc/25/92/11/988259211.db2.gz YITACBZLLIGSNA-MSOLQXFVSA-N -1 0 338.407 3.992 20 0 EHADRM CSc1cc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])c(C)o1 ZINC001599806553 988265371 /nfs/dbraw/zinc/26/53/71/988265371.db2.gz JEKNOCCXWFTQBS-OAHLLOKOSA-N -1 0 347.436 3.892 20 0 EHADRM CCc1ccc(NC(=O)c2ccc(-n3ccc(C)n3)cc2)c(C(=O)[O-])c1 ZINC001597550632 988268087 /nfs/dbraw/zinc/26/80/87/988268087.db2.gz HSRQNTPGHMQNHX-UHFFFAOYSA-N -1 0 349.390 3.694 20 0 EHADRM CSc1cc(F)ccc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC001599808702 988297688 /nfs/dbraw/zinc/29/76/88/988297688.db2.gz MNFRGTFNKXNVTH-UHFFFAOYSA-N -1 0 333.384 3.817 20 0 EHADRM Cn1cc(C(=O)Nc2cccc(Cl)c2[O-])c(-c2cccs2)n1 ZINC000179389381 1015377101 /nfs/dbraw/zinc/37/71/01/1015377101.db2.gz RIKYZWLBJCLDCC-UHFFFAOYSA-N -1 0 333.800 3.760 20 0 EHADRM CSc1cc(NC(=O)N[C@H](CC(=O)[O-])C2CCCC2)ccc1C ZINC001599809165 988304096 /nfs/dbraw/zinc/30/40/96/988304096.db2.gz VQJIILOGDFXOLH-CQSZACIVSA-N -1 0 336.457 3.872 20 0 EHADRM CSc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccc3ccccc32)o1 ZINC001599809603 988310971 /nfs/dbraw/zinc/31/09/71/988310971.db2.gz KOEGPJHNRMQQNN-MRXNPFEDSA-N -1 0 341.388 3.710 20 0 EHADRM CCc1ccc2c(c1)[C@@H](NCc1ccc(/C=C\C(=O)[O-])o1)CCO2 ZINC001597568022 988321787 /nfs/dbraw/zinc/32/17/87/988321787.db2.gz BUTOQSLKNMVVHT-QLBOMPFWSA-N -1 0 327.380 3.553 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2CCC(C)(C)C2)cc1 ZINC001599810526 988326231 /nfs/dbraw/zinc/32/62/31/988326231.db2.gz AKIUAFUTTFONNG-ZFWWWQNUSA-N -1 0 335.469 3.867 20 0 EHADRM CCc1ccc2occ(C(=O)N(C)Cc3ccc(C(=O)[O-])cc3)c2c1 ZINC001597570225 988340648 /nfs/dbraw/zinc/34/06/48/988340648.db2.gz AWUUZCJZCRERGS-UHFFFAOYSA-N -1 0 337.375 3.966 20 0 EHADRM CSc1ccc(/C=C/C(=O)Nc2ccc(C(=O)[O-])s2)s1 ZINC001599812097 988355096 /nfs/dbraw/zinc/35/50/96/988355096.db2.gz HNUNTTNDNODSPL-GORDUTHDSA-N -1 0 325.436 3.882 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)Cc1c(F)cccc1Cl ZINC001597573697 988357922 /nfs/dbraw/zinc/35/79/22/988357922.db2.gz UHWBPOSPABBROF-UHFFFAOYSA-N -1 0 335.762 3.921 20 0 EHADRM CSc1ccc(F)cc1CNc1ncc(C(=O)[O-])cc1Cl ZINC001599814481 988397445 /nfs/dbraw/zinc/39/74/45/988397445.db2.gz LHAWGPCVYIFRGA-UHFFFAOYSA-N -1 0 326.780 3.906 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1csc(C(C)(C)C)n1 ZINC001597591819 988417258 /nfs/dbraw/zinc/41/72/58/988417258.db2.gz JIGSKEIATSZENP-UHFFFAOYSA-N -1 0 332.425 3.954 20 0 EHADRM CSc1ccc(NC(=O)[C@H](C)OCc2ccccc2)cc1C(=O)[O-] ZINC001599816268 988429391 /nfs/dbraw/zinc/42/93/91/988429391.db2.gz SKMOSOLVLKUODA-LBPRGKRZSA-N -1 0 345.420 3.651 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cc(F)c(F)c(F)c1F ZINC001597594853 988435412 /nfs/dbraw/zinc/43/54/12/988435412.db2.gz XSVBIBIMLFPSNL-UHFFFAOYSA-N -1 0 341.260 3.756 20 0 EHADRM CSc1ccc(NC(=O)N(CC2CC2)C2CCC2)cc1C(=O)[O-] ZINC001599817469 988451353 /nfs/dbraw/zinc/45/13/53/988451353.db2.gz STJRXGCEQXUYOP-UHFFFAOYSA-N -1 0 334.441 3.903 20 0 EHADRM CCc1ccccc1C(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21 ZINC001597604615 988482482 /nfs/dbraw/zinc/48/24/82/988482482.db2.gz RFOXCPYQHDBCTN-SPLOXXLWSA-N -1 0 337.419 3.856 20 0 EHADRM CSc1ccc(NC(=O)NCc2ccc(C)s2)cc1C(=O)[O-] ZINC001599819188 988482726 /nfs/dbraw/zinc/48/27/26/988482726.db2.gz SFTJHQMRMSXFHT-UHFFFAOYSA-N -1 0 336.438 3.798 20 0 EHADRM CSc1ccc(O)c(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC001599819649 988489671 /nfs/dbraw/zinc/48/96/71/988489671.db2.gz ANUPKKAFPUSXDQ-NSHDSACASA-N -1 0 345.420 3.630 20 0 EHADRM CSc1ccccc1C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001599823302 988552836 /nfs/dbraw/zinc/55/28/36/988552836.db2.gz MEFJUVVGGFDVTG-UHFFFAOYSA-N -1 0 326.377 3.840 20 0 EHADRM CCc1ccnc(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)c1 ZINC001597623017 988567119 /nfs/dbraw/zinc/56/71/19/988567119.db2.gz JOLPTISUMLLWCO-UHFFFAOYSA-N -1 0 326.377 3.809 20 0 EHADRM CSc1cccc(F)c1C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001599824529 988574006 /nfs/dbraw/zinc/57/40/06/988574006.db2.gz ZIUROIWKMCFYDF-UHFFFAOYSA-N -1 0 341.310 3.776 20 0 EHADRM CSc1cccnc1C(=O)N(c1ccccc1C(=O)[O-])C1CCC1 ZINC001599826093 988600582 /nfs/dbraw/zinc/60/05/82/988600582.db2.gz VQLCGDCMVAKSPT-UHFFFAOYSA-N -1 0 342.420 3.701 20 0 EHADRM CCc1nc(C(=O)O[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)co1 ZINC001597651043 988685559 /nfs/dbraw/zinc/68/55/59/988685559.db2.gz HJMPPOSSTBSUOY-LBPRGKRZSA-N -1 0 344.150 3.527 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cccc(F)c1Cl ZINC001599832646 988696817 /nfs/dbraw/zinc/69/68/17/988696817.db2.gz YBGIULKDNHBYDX-NSHDSACASA-N -1 0 335.762 3.595 20 0 EHADRM CCc1nc(C(C)C)ccc1COC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001597652898 988701439 /nfs/dbraw/zinc/70/14/39/988701439.db2.gz VPOHHEPAYMBLKL-YFHOEESVSA-N -1 0 343.379 3.815 20 0 EHADRM C[C@@H](NC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC001599838663 988786482 /nfs/dbraw/zinc/78/64/82/988786482.db2.gz PKBLQNIQTVTDDC-KKZNHRDASA-N -1 0 345.226 3.559 20 0 EHADRM CCc1nc(NC(=O)/C=C(/C)c2cccc(F)c2)sc1C(=O)[O-] ZINC001597677810 988793351 /nfs/dbraw/zinc/79/33/51/988793351.db2.gz BENBGWROJIQYMR-CLFYSBASSA-N -1 0 334.372 3.585 20 0 EHADRM CCc1nc(NC(=O)c2ccc(-c3cccs3)o2)sc1C(=O)[O-] ZINC001597681432 988814565 /nfs/dbraw/zinc/81/45/65/988814565.db2.gz BHTMXTFREJQYSE-UHFFFAOYSA-N -1 0 348.405 3.978 20 0 EHADRM CC(C)(C)OC(=O)N1CCC(CCOc2cccc(C(=O)[O-])c2)CC1 ZINC001589974701 988827125 /nfs/dbraw/zinc/82/71/25/988827125.db2.gz RZOGSFWIPWOROE-UHFFFAOYSA-N -1 0 349.427 3.801 20 0 EHADRM CCc1nc(NC(=O)c2ccccc2C2(C)CC2)sc1C(=O)[O-] ZINC001597685509 988836171 /nfs/dbraw/zinc/83/61/71/988836171.db2.gz XIVDWIGTGXQWLZ-UHFFFAOYSA-N -1 0 330.409 3.708 20 0 EHADRM CCc1nc2ccc(NC(=O)Nc3cc(C(=O)[O-])n(C)c3)cc2s1 ZINC001597691343 988882124 /nfs/dbraw/zinc/88/21/24/988882124.db2.gz OZHUQYLRVBKNIM-UHFFFAOYSA-N -1 0 344.396 3.539 20 0 EHADRM CCc1nc2ccc(NC(=O)N3CCC[C@](C)(C(=O)[O-])C3)cc2s1 ZINC001597691530 988885743 /nfs/dbraw/zinc/88/57/43/988885743.db2.gz PEGIMYONLJDBIF-KRWDZBQOSA-N -1 0 347.440 3.577 20 0 EHADRM CCc1nn(C)c(CC)c1CN1CCCCc2cc(C(=O)[O-])ccc21 ZINC001597716700 988983031 /nfs/dbraw/zinc/98/30/31/988983031.db2.gz UAULKPFQMQEHIK-UHFFFAOYSA-N -1 0 341.455 3.586 20 0 EHADRM C[C@@H]1CN(C(=O)NCC2CCC(C(C)(C)C)CC2)C[C@H]1CC(=O)[O-] ZINC001599855559 989082358 /nfs/dbraw/zinc/08/23/58/989082358.db2.gz COGSKMDXVAQBGF-YHNBSYBMSA-N -1 0 338.492 3.591 20 0 EHADRM CC(C)(C)OC(=O)N1CCc2cc(NC3CC(CC(=O)[O-])C3)ccc21 ZINC001590085096 989199597 /nfs/dbraw/zinc/19/95/97/989199597.db2.gz PYRJOBUWDVNSMP-UHFFFAOYSA-N -1 0 346.427 3.649 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC001597767767 989226367 /nfs/dbraw/zinc/22/63/67/989226367.db2.gz HEACCHMGQLFXIA-SECBINFHSA-N -1 0 338.306 3.665 20 0 EHADRM C[C@@H]1CN(c2cc(C(C)(C)C)nc(C(C)(C)C)n2)C[C@H]1CC(=O)[O-] ZINC001599868154 989305102 /nfs/dbraw/zinc/30/51/02/989305102.db2.gz GNATUQZCCFSDFC-CHWSQXEVSA-N -1 0 333.476 3.619 20 0 EHADRM CCc1oc2ccccc2c1C(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC001597807958 989422594 /nfs/dbraw/zinc/42/25/94/989422594.db2.gz OCZZNBWHRJQQLN-UHFFFAOYSA-N -1 0 325.320 3.651 20 0 EHADRM C[C@@H]1C[C@H](C(=O)O[C@H](c2ccccc2)C2CCCCC2)O[C@H]1C(=O)[O-] ZINC001599878916 989457039 /nfs/dbraw/zinc/45/70/39/989457039.db2.gz LBHBRMFNDSYZDX-BNEJOLLZSA-N -1 0 346.423 3.729 20 0 EHADRM CCc1occc1C(=O)O[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC001597824738 989478419 /nfs/dbraw/zinc/47/84/19/989478419.db2.gz PJPKKZZAHUMVKJ-CYBMUJFWSA-N -1 0 342.269 3.844 20 0 EHADRM CCn1c(CNCc2ccc(C(=O)[O-])c(Cl)c2)nc2ccccc21 ZINC001597853379 989602028 /nfs/dbraw/zinc/60/20/28/989602028.db2.gz IKQQTXJQMAHVJT-UHFFFAOYSA-N -1 0 343.814 3.698 20 0 EHADRM CCn1cnc(Cl)c1CN[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001597916426 989835029 /nfs/dbraw/zinc/83/50/29/989835029.db2.gz HDBPQURFDRRTDZ-MRXNPFEDSA-N -1 0 343.814 3.625 20 0 EHADRM CC(C)(C)OC(=O)n1cc(-c2ccc3c(c2)CCOC3)cc1C(=O)[O-] ZINC001590368583 989848305 /nfs/dbraw/zinc/84/83/05/989848305.db2.gz CYWSMJORHKYPLI-UHFFFAOYSA-N -1 0 343.379 3.709 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)N2CCC[C@@](C)(C(=O)[O-])C2)c1 ZINC001590398774 989931355 /nfs/dbraw/zinc/93/13/55/989931355.db2.gz MXIOQJVEDPGCKI-LJQANCHMSA-N -1 0 348.443 3.720 20 0 EHADRM CC(C)(C)O[C@H]1C[C@H](Nc2ncc(C(=O)[O-])cc2C(F)(F)F)C1 ZINC001590409765 989948548 /nfs/dbraw/zinc/94/85/48/989948548.db2.gz YZARYMUCBMOVCB-MGCOHNPYSA-N -1 0 332.322 3.557 20 0 EHADRM CC(C)(C)Oc1ccc(-c2noc([C@H]3CC[C@H](C(=O)[O-])CC3)n2)nc1 ZINC001590410429 989952073 /nfs/dbraw/zinc/95/20/73/989952073.db2.gz WKCDAVKYJHUSQQ-HAQNSBGRSA-N -1 0 345.399 3.667 20 0 EHADRM CCn1ncc(Cl)c1C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001597958879 989979004 /nfs/dbraw/zinc/97/90/04/989979004.db2.gz ZDJUNHKJCJNNJO-UHFFFAOYSA-N -1 0 343.770 3.660 20 0 EHADRM CC(C)(C)c1cc2cccnc2c(NC(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC001590461694 990030900 /nfs/dbraw/zinc/03/09/00/990030900.db2.gz HQQGQGLBEOOMLK-UHFFFAOYSA-N -1 0 337.379 3.811 20 0 EHADRM CC(C)(C)c1ccc(CCC(=O)NC[C@@H](CC(=O)[O-])C2CC2)cc1 ZINC001590484750 990079761 /nfs/dbraw/zinc/07/97/61/990079761.db2.gz FRXYDCBOZRLLTH-MRXNPFEDSA-N -1 0 331.456 3.534 20 0 EHADRM CC(C)(C)c1ccc(CCNC(=O)/C=C/c2cc(C(=O)[O-])co2)cc1 ZINC001590484874 990079877 /nfs/dbraw/zinc/07/98/77/990079877.db2.gz HJMLOYLQXNALSZ-CMDGGOBGSA-N -1 0 341.407 3.647 20 0 EHADRM CC(C)(C)c1ccc(CC(=O)NCC2(C(=O)[O-])CCCCC2)cc1 ZINC001590484920 990080981 /nfs/dbraw/zinc/08/09/81/990080981.db2.gz JSZAPYYASIWLNS-UHFFFAOYSA-N -1 0 331.456 3.678 20 0 EHADRM CN(C(=O)[C@@H]1CC(C)(C)Oc2ccccc21)C1(C(=O)[O-])CCCCC1 ZINC001597997487 990111520 /nfs/dbraw/zinc/11/15/20/990111520.db2.gz NZIQFWWDDQSLJH-OAHLLOKOSA-N -1 0 345.439 3.577 20 0 EHADRM CC(C)(C)c1ccc2[nH]c(C(=O)N3CCC[C@@H]3CC(=O)[O-])cc2c1 ZINC001590501037 990116646 /nfs/dbraw/zinc/11/66/46/990116646.db2.gz PIEOBGDLJJQRJC-CQSZACIVSA-N -1 0 328.412 3.545 20 0 EHADRM CC(C)(C)c1cnc(CNc2nc3c(cccc3C(=O)[O-])[nH]2)s1 ZINC001590516012 990133857 /nfs/dbraw/zinc/13/38/57/990133857.db2.gz VOZUZOLDEMBPGD-UHFFFAOYSA-N -1 0 330.413 3.627 20 0 EHADRM CC(C)(C)c1csc(/C(=C\c2cnn3ccccc23)C(=O)[O-])n1 ZINC001590527328 990142701 /nfs/dbraw/zinc/14/27/01/990142701.db2.gz YTHXCVYVJGSSID-XYOKQWHBSA-N -1 0 327.409 3.714 20 0 EHADRM CC(C)(C)c1nc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])co1 ZINC001590537729 990156858 /nfs/dbraw/zinc/15/68/58/990156858.db2.gz OZFNUQGLHXHRKC-CQSZACIVSA-N -1 0 344.411 3.554 20 0 EHADRM CC(C)(C)c1nc(CNc2cnc(C(=O)[O-])c(Cl)c2)cs1 ZINC001590541998 990167426 /nfs/dbraw/zinc/16/74/26/990167426.db2.gz JYUUUEJMKZHXJE-UHFFFAOYSA-N -1 0 325.821 3.799 20 0 EHADRM CN(C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)C1CCC(F)(F)CC1 ZINC001598056854 990319626 /nfs/dbraw/zinc/31/96/26/990319626.db2.gz WKXLTKCQRNNORC-UHFFFAOYSA-N -1 0 348.296 3.705 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001590628870 990320022 /nfs/dbraw/zinc/32/00/22/990320022.db2.gz XLWKWWDYYYTJAY-ZFWWWQNUSA-N -1 0 337.847 3.983 20 0 EHADRM CN(C(=O)Nc1ccc(C(=O)[O-])cn1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001598057111 990322747 /nfs/dbraw/zinc/32/27/47/990322747.db2.gz OAHOEDOMMDUUFK-CVEARBPZSA-N -1 0 339.395 3.580 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(SC(F)(F)F)nc1 ZINC001590636815 990325956 /nfs/dbraw/zinc/32/59/56/990325956.db2.gz QVAKYLXZMHFOHN-UHFFFAOYSA-N -1 0 336.335 3.523 20 0 EHADRM CC(C)(CC(F)(F)F)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001590648857 990335462 /nfs/dbraw/zinc/33/54/62/990335462.db2.gz KPKWEDNJKYYQML-UHFFFAOYSA-N -1 0 340.248 3.516 20 0 EHADRM CN(C(=O)c1cc(C2CC2)cnc1Cl)c1ccccc1C(=O)[O-] ZINC001598077325 990382606 /nfs/dbraw/zinc/38/26/06/990382606.db2.gz IQHNXBKCAQBOSF-UHFFFAOYSA-N -1 0 330.771 3.587 20 0 EHADRM CN(C(=O)c1cc(F)ccc1-c1ccoc1)c1ncc(C(=O)[O-])s1 ZINC001598078233 990386173 /nfs/dbraw/zinc/38/61/73/990386173.db2.gz ZNYVLUWAFCVQSE-UHFFFAOYSA-N -1 0 346.339 3.517 20 0 EHADRM CN(C(=O)c1ccc(Oc2ccc(F)cc2)cc1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598088119 990422382 /nfs/dbraw/zinc/42/23/82/990422382.db2.gz ZVZQSEQOQSNTNU-OTVXOJSOSA-N -1 0 343.354 3.553 20 0 EHADRM CC(C)(CNC(=O)C1(Cc2cccc(F)c2)CCCCC1)C(=O)[O-] ZINC001590706434 990451273 /nfs/dbraw/zinc/45/12/73/990451273.db2.gz ORMFCDDWSRMYKP-UHFFFAOYSA-N -1 0 335.419 3.546 20 0 EHADRM CC(C)(CNC(=O)N1CC2(CCCC2)c2cccc(F)c21)CC(=O)[O-] ZINC001590716662 990478029 /nfs/dbraw/zinc/47/80/29/990478029.db2.gz WPFLRNCCCOYDIE-UHFFFAOYSA-N -1 0 348.418 3.668 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(CC(=O)[O-])c(F)c1)c1ccccc1 ZINC001590734504 990530571 /nfs/dbraw/zinc/53/05/71/990530571.db2.gz XYKWBBYEOMDLMM-UHFFFAOYSA-N -1 0 344.386 3.552 20 0 EHADRM CC(C)(NCc1csc(Cl)c1Cl)c1cc(C(=O)[O-])on1 ZINC001590875322 990787906 /nfs/dbraw/zinc/78/79/06/990787906.db2.gz WNQJCQLSNGBYKR-UHFFFAOYSA-N -1 0 335.212 3.766 20 0 EHADRM COc1cccc2c1[C@H](C(=O)Nc1ccc(Cl)cc1C(=O)[O-])CC2 ZINC001599689479 991043980 /nfs/dbraw/zinc/04/39/80/991043980.db2.gz HQUFXOLGISVNQL-GFCCVEGCSA-N -1 0 345.782 3.715 20 0 EHADRM CC(C)[C@H](C(=O)OCc1oncc1C(=O)[O-])c1cccc(Cl)c1 ZINC001590961619 991060261 /nfs/dbraw/zinc/06/02/61/991060261.db2.gz TYCLMRBIVXQYBG-AWEZNQCLSA-N -1 0 337.759 3.509 20 0 EHADRM COc1cccc2cc(C(=O)Nc3ccc([C@@H](C)C(=O)[O-])cc3)oc21 ZINC001599692172 991087467 /nfs/dbraw/zinc/08/74/67/991087467.db2.gz KTWUXEBFXBVBAU-LLVKDONJSA-N -1 0 339.347 3.882 20 0 EHADRM CC(C)[C@@H](CCc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001590980303 991130162 /nfs/dbraw/zinc/13/01/62/991130162.db2.gz AJQPPBAVLFHOHL-MRXNPFEDSA-N -1 0 326.396 3.623 20 0 EHADRM CC(C)[C@@H](F)C(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC001590997029 991240040 /nfs/dbraw/zinc/24/00/40/991240040.db2.gz UUNMWPZZENEYHJ-QGZVFWFLSA-N -1 0 345.370 3.896 20 0 EHADRM CN(C)c1cccc(C(=O)Oc2cccc3c(CC(=O)[O-])cccc23)c1 ZINC001598335718 991392114 /nfs/dbraw/zinc/39/21/14/991392114.db2.gz XCIMLROXZLEUGK-UHFFFAOYSA-N -1 0 349.386 3.752 20 0 EHADRM COc1ccccc1NC(=O)[C@@H](C)SCc1cccc(C(=O)[O-])c1 ZINC001599715407 991445769 /nfs/dbraw/zinc/44/57/69/991445769.db2.gz NOTFHSHBMSHSTI-GFCCVEGCSA-N -1 0 345.420 3.654 20 0 EHADRM CC(C)[C@@H](Sc1ccccc1)C(=O)OC1CCC(C(=O)[O-])CC1 ZINC001591051869 991454161 /nfs/dbraw/zinc/45/41/61/991454161.db2.gz IUFFXMJABLHMBV-ZBCRRDGASA-N -1 0 336.453 3.990 20 0 EHADRM CC(C)[C@]1(C)C[C@H]1C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001591057764 991470188 /nfs/dbraw/zinc/47/01/88/991470188.db2.gz IUTMIOLPGZXFSO-ZWOKBUDYSA-N -1 0 325.408 3.764 20 0 EHADRM CC(C)C1(C)CCN(C(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC001591062220 991507230 /nfs/dbraw/zinc/50/72/30/991507230.db2.gz UGWPFSRNRWNSCC-UZLBHIALSA-N -1 0 329.440 3.530 20 0 EHADRM CC(C)C1(c2ccccc2)CN(c2nc(Cl)c(C(=O)[O-])s2)C1 ZINC001591067297 991510964 /nfs/dbraw/zinc/51/09/64/991510964.db2.gz ANXDOEBTVSWQOR-UHFFFAOYSA-N -1 0 336.844 3.909 20 0 EHADRM CC(C)[C@@H]1C[C@H](CC(=O)Oc2ccc(Cl)cc2C(=O)[O-])CCO1 ZINC001591073341 991540998 /nfs/dbraw/zinc/54/09/98/991540998.db2.gz VOUFGQBOKYPXPB-ABAIWWIYSA-N -1 0 340.803 3.785 20 0 EHADRM CC(C)[C@@H]1CCCN1C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001591086680 991602252 /nfs/dbraw/zinc/60/22/52/991602252.db2.gz AYDPWACOPSVBIC-LBPRGKRZSA-N -1 0 328.771 3.830 20 0 EHADRM CO[C@@H](C)c1cccc(NS(=O)(=O)c2ccc3c(c2)CCCO3)c1 ZINC000536678669 1032121608 /nfs/dbraw/zinc/12/16/08/1032121608.db2.gz DZYFXICSGRNHJM-ZDUSSCGKSA-N -1 0 347.436 3.520 20 0 EHADRM COc1cncc(/C=C/CCN2C[C@@H](CC(=O)[O-])c3ccccc32)c1 ZINC001599726382 991633896 /nfs/dbraw/zinc/63/38/96/991633896.db2.gz JWMWLJSEZRNWNS-MQDFFIGUSA-N -1 0 338.407 3.572 20 0 EHADRM CC(C)C[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C)c1ccc(Cl)cc1 ZINC001591117815 991778140 /nfs/dbraw/zinc/77/81/40/991778140.db2.gz GWOCTTKZTVWQNZ-RCBQFDQVSA-N -1 0 337.847 3.791 20 0 EHADRM CC(C)C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC001591118550 991784688 /nfs/dbraw/zinc/78/46/88/991784688.db2.gz UZVJMXVIALHUSQ-QGZVFWFLSA-N -1 0 343.398 3.970 20 0 EHADRM CN(CC(F)(F)C(F)(F)F)[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001598429902 991788264 /nfs/dbraw/zinc/78/82/64/991788264.db2.gz QNXSIYXAWOZNDN-VIFPVBQESA-N -1 0 349.658 3.734 20 0 EHADRM CN(CC1CCCCC1)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001598454647 991923366 /nfs/dbraw/zinc/92/33/66/991923366.db2.gz GSUCAIAEFNMBRD-DLBZAZTESA-N -1 0 330.428 3.919 20 0 EHADRM CC(C)C[C@@H](NC(=O)Nc1cccc(CC(=O)[O-])n1)c1ccccc1 ZINC001591178719 991977462 /nfs/dbraw/zinc/97/74/62/991977462.db2.gz UVLASTGBRUJTPH-MRXNPFEDSA-N -1 0 341.411 3.618 20 0 EHADRM CC(C)C[C@@H](Sc1nc(C(=O)[O-])cs1)C(=O)OC(C)(C)C ZINC001591191425 992002435 /nfs/dbraw/zinc/00/24/35/992002435.db2.gz ZVZWQYGOXZILSS-SNVBAGLBSA-N -1 0 331.459 3.690 20 0 EHADRM CC(C)C[C@H]1CCCCN1C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001591205830 992029674 /nfs/dbraw/zinc/02/96/74/992029674.db2.gz KDJPLHZDWUPFHQ-OAHLLOKOSA-N -1 0 347.459 3.883 20 0 EHADRM CC(C)CCO[C@@H]1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC001591259190 992160736 /nfs/dbraw/zinc/16/07/36/992160736.db2.gz FOSZWCGIZAFGRN-CVEARBPZSA-N -1 0 325.836 3.603 20 0 EHADRM CC(C)CN(C(=O)COc1cccc(C(C)C)c1)C(C)(C)C(=O)[O-] ZINC001591281089 992212030 /nfs/dbraw/zinc/21/20/30/992212030.db2.gz XSLCKVXAKXZDIR-UHFFFAOYSA-N -1 0 335.444 3.537 20 0 EHADRM CC(C)CN(C(=O)[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12)C(C)(C)C(=O)[O-] ZINC001591281588 992216667 /nfs/dbraw/zinc/21/66/67/992216667.db2.gz UJHUPIPAUBKKSZ-ARFHVFGLSA-N -1 0 349.858 3.574 20 0 EHADRM CC(C)CN(C(=O)c1ccc(F)c(C(F)(F)F)c1)C(C)(C)C(=O)[O-] ZINC001591285567 992225190 /nfs/dbraw/zinc/22/51/90/992225190.db2.gz XUJCABXKCJVKFM-UHFFFAOYSA-N -1 0 349.324 3.806 20 0 EHADRM CC(C)c1ccccc1OCC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000326922782 1015704586 /nfs/dbraw/zinc/70/45/86/1015704586.db2.gz QNLCXIUUPKSJGP-OAHLLOKOSA-N -1 0 347.455 3.538 20 0 EHADRM CS[C@H](C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-])c1ccccc1 ZINC001599779676 992348125 /nfs/dbraw/zinc/34/81/25/992348125.db2.gz DKIUJCCNJMYXRQ-COXVUDFISA-N -1 0 343.448 3.669 20 0 EHADRM CS[C@H](C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-])c1ccccc1 ZINC001599779677 992348317 /nfs/dbraw/zinc/34/83/17/992348317.db2.gz DKIUJCCNJMYXRQ-JQFCIGGWSA-N -1 0 343.448 3.669 20 0 EHADRM CS[C@@H](C)CCC(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1 ZINC001599782571 992383722 /nfs/dbraw/zinc/38/37/22/992383722.db2.gz FUWRYYWXCCJYCV-DZGCQCFKSA-N -1 0 329.506 3.838 20 0 EHADRM CC(C)COC(=O)Nc1cccc(NCc2ncc(C(=O)[O-])s2)c1 ZINC001591384585 992432706 /nfs/dbraw/zinc/43/27/06/992432706.db2.gz JCYOFTQCUDLBFV-UHFFFAOYSA-N -1 0 349.412 3.658 20 0 EHADRM CC(C)COc1ccc(OC(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC001591401544 992474086 /nfs/dbraw/zinc/47/40/86/992474086.db2.gz JWSOCBKPWLMFAD-UHFFFAOYSA-N -1 0 342.391 3.958 20 0 EHADRM CN(Cc1cc2ccccc2[nH]1)Cc1cc(C(=O)[O-])c2n1CCCC2 ZINC001598508452 992534560 /nfs/dbraw/zinc/53/45/60/992534560.db2.gz IXIWIGQNCNDOSB-UHFFFAOYSA-N -1 0 337.423 3.636 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC001591483137 992599961 /nfs/dbraw/zinc/59/99/61/992599961.db2.gz AFWYEDRSSLVKLH-UHFFFAOYSA-N -1 0 339.435 3.832 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)c1 ZINC001591488661 992617067 /nfs/dbraw/zinc/61/70/67/992617067.db2.gz INEKMOHQTFISER-RVKKMQEKSA-N -1 0 331.456 3.558 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)N[C@H](C(=O)[O-])c2cccs2)c1 ZINC001591488920 992618016 /nfs/dbraw/zinc/61/80/16/992618016.db2.gz KNCWWQWZHWSTSX-DYVFJYSZSA-N -1 0 345.464 3.992 20 0 EHADRM CC(C)Cc1nc(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)cs1 ZINC001591490610 992623218 /nfs/dbraw/zinc/62/32/18/992623218.db2.gz CLJGTAYWTQPJOL-UHFFFAOYSA-N -1 0 343.408 3.773 20 0 EHADRM CN(Cc1nc2ccccc2n1C)Cc1cccc(C(=O)[O-])c1Cl ZINC001598528040 992745141 /nfs/dbraw/zinc/74/51/41/992745141.db2.gz ZMRTWMDNTCMABN-UHFFFAOYSA-N -1 0 343.814 3.557 20 0 EHADRM CN(Cc1ccccc1)c1ccccc1NCc1c[nH]c(C(=O)[O-])c1 ZINC001598529772 992764512 /nfs/dbraw/zinc/76/45/12/992764512.db2.gz MKYWMVAHLDWKLE-UHFFFAOYSA-N -1 0 335.407 3.961 20 0 EHADRM CN(Cc1ccccc1NC(=O)c1c[nH]c(C(=O)[O-])c1)c1ccccc1 ZINC001598530081 992769436 /nfs/dbraw/zinc/76/94/36/992769436.db2.gz IWJBCACSRPHJKR-UHFFFAOYSA-N -1 0 349.390 3.602 20 0 EHADRM CN(Cc1ccccc1NCc1c[nH]c(C(=O)[O-])c1)c1ccccc1 ZINC001598530356 992772257 /nfs/dbraw/zinc/77/22/57/992772257.db2.gz AUTZNGAYDAAZCE-UHFFFAOYSA-N -1 0 335.407 3.961 20 0 EHADRM CN(Cc1csc2ccccc12)C(=O)c1ccsc1C(=O)[O-] ZINC001598536375 992843901 /nfs/dbraw/zinc/84/39/01/992843901.db2.gz SFQUAJOXKARHMS-UHFFFAOYSA-N -1 0 331.418 3.933 20 0 EHADRM CN(Cc1csc2ccccc12)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001598536422 992845226 /nfs/dbraw/zinc/84/52/26/992845226.db2.gz VCGAVDXCEYXEDW-CLFYSBASSA-N -1 0 341.388 3.864 20 0 EHADRM COc1ccc(F)cc1[C@@H](C)NC(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001599582470 993570051 /nfs/dbraw/zinc/57/00/51/993570051.db2.gz DHEUFNCDLHGYJP-LLVKDONJSA-N -1 0 346.358 3.724 20 0 EHADRM COc1ccc(N(C)C(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1F ZINC001599583568 993582932 /nfs/dbraw/zinc/58/29/32/993582932.db2.gz YHHDJKDHYDSZOP-UHFFFAOYSA-N -1 0 346.358 3.520 20 0 EHADRM COc1ccc(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)c(C(=O)[O-])c1 ZINC001599589260 993657128 /nfs/dbraw/zinc/65/71/28/993657128.db2.gz DFJMLRMCBABJOX-VHDGCEQUSA-N -1 0 331.412 3.938 20 0 EHADRM COc1ccc(NC(=O)c2cc(F)cc(C(=O)[O-])c2)cc1SC ZINC001599594074 993725944 /nfs/dbraw/zinc/72/59/44/993725944.db2.gz RMROWVUEUSVIJZ-UHFFFAOYSA-N -1 0 335.356 3.507 20 0 EHADRM C[C@@H](NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1)c1cccc(C2CC2)c1 ZINC001593107949 993760039 /nfs/dbraw/zinc/76/00/39/993760039.db2.gz BPIVLWOPQYGOSA-XNJGSVPQSA-N -1 0 330.428 3.568 20 0 EHADRM C[C@H](NC(=O)Nc1cc(C(=O)[O-])cnc1Cl)[C@@H](C)c1ccccc1 ZINC001593109207 993771859 /nfs/dbraw/zinc/77/18/59/993771859.db2.gz KLYGMPAPWQRGFP-MNOVXSKESA-N -1 0 347.802 3.747 20 0 EHADRM CSc1ccccc1NC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000339879679 1015805918 /nfs/dbraw/zinc/80/59/18/1015805918.db2.gz MMJXECATZNJITK-UHFFFAOYSA-N -1 0 343.383 3.691 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc2cc(C(=O)[O-])sc21)c1ccccn1 ZINC001593118200 993825046 /nfs/dbraw/zinc/82/50/46/993825046.db2.gz GFMIHNNJBANYRG-SNVBAGLBSA-N -1 0 341.392 3.877 20 0 EHADRM COc1ccc(OC)c2sc(NCc3cc(C(=O)[O-])c(C)o3)nc21 ZINC001599606342 993890370 /nfs/dbraw/zinc/89/03/70/993890370.db2.gz GFYXWPMFUIOBEO-UHFFFAOYSA-N -1 0 348.380 3.525 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2CC(=O)O[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC001599620486 994074109 /nfs/dbraw/zinc/07/41/09/994074109.db2.gz HXDWBQGUPCRXAH-QRTARXTBSA-N -1 0 346.404 3.619 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2c2nc(-c3ccc(C(=O)[O-])cc3)no2)cc1 ZINC001599621496 994089499 /nfs/dbraw/zinc/08/94/99/994089499.db2.gz UVOVBHTVHKCQPI-JKSUJKDBSA-N -1 0 336.347 3.715 20 0 EHADRM C[C@H](N[C@H](C(=O)[O-])c1cc(F)ccc1F)c1nccc2ccccc21 ZINC001593190829 994127938 /nfs/dbraw/zinc/12/79/38/994127938.db2.gz WVENOTBJPFPXAH-VOJFVSQTSA-N -1 0 342.345 3.990 20 0 EHADRM COc1ccc2c(c1)[C@@H](C(=O)Oc1ccc(C(=O)[O-])cc1Cl)CC2 ZINC001599625078 994136354 /nfs/dbraw/zinc/13/63/54/994136354.db2.gz NTHZXDSSGPAUMI-ZDUSSCGKSA-N -1 0 346.766 3.682 20 0 EHADRM O=C(NCCc1cc2ccccc2o1)c1cc(F)c(F)c([O-])c1F ZINC000180048737 1015843257 /nfs/dbraw/zinc/84/32/57/1015843257.db2.gz SAIQZCNXCUJJKS-UHFFFAOYSA-N -1 0 335.281 3.528 20 0 EHADRM COc1ccc2c(c1)[C@H](NC(=O)CC1(CC(=O)[O-])CCCC1)CCC2 ZINC001599632357 994237159 /nfs/dbraw/zinc/23/71/59/994237159.db2.gz ZWPXJPFUZKLEOS-QGZVFWFLSA-N -1 0 345.439 3.614 20 0 EHADRM COc1ccc2ccccc2c1CN[C@@H](C(=O)[O-])c1ccsc1 ZINC001599635141 994275936 /nfs/dbraw/zinc/27/59/36/994275936.db2.gz IJPMAPIPFFKCFF-QGZVFWFLSA-N -1 0 327.405 3.825 20 0 EHADRM COc1ccc2oc([C@H](C)N[C@@H](C)c3nc(C(=O)[O-])co3)c(C)c2c1 ZINC001599637878 994315184 /nfs/dbraw/zinc/31/51/84/994315184.db2.gz LPANNIQPRLFFNH-QWRGUYRKSA-N -1 0 344.367 3.848 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1ccc(OC(C)(C)C)cc1 ZINC001599643380 994389859 /nfs/dbraw/zinc/38/98/59/994389859.db2.gz GAXXXMRBMXDLQV-UHFFFAOYSA-N -1 0 344.363 3.790 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)c1cc2cc(C)ccc2o1 ZINC001599644344 994403948 /nfs/dbraw/zinc/40/39/48/994403948.db2.gz SNDORXBRCMHVLF-UHFFFAOYSA-N -1 0 339.347 3.725 20 0 EHADRM COc1cccc([C@@H](C)C(=O)O[C@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC001599654568 994556765 /nfs/dbraw/zinc/55/67/65/994556765.db2.gz RNWQCJHNJOQRAH-BZNIZROVSA-N -1 0 348.782 3.821 20 0 EHADRM COc1cccc(C(F)F)c1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001599657660 994608653 /nfs/dbraw/zinc/60/86/53/994608653.db2.gz OXLODMVOADLNNV-UHFFFAOYSA-N -1 0 349.333 3.902 20 0 EHADRM C[C@H](NCc1cc(C(=O)[O-])ccc1Cl)c1c(F)cncc1F ZINC001593288534 994657767 /nfs/dbraw/zinc/65/77/67/994657767.db2.gz LGJYNWGLZLPRSW-QMMMGPOBSA-N -1 0 326.730 3.562 20 0 EHADRM C[C@@H](NCc1ccc(-c2ccccc2)o1)c1ncc(C(=O)[O-])s1 ZINC001593292868 994679869 /nfs/dbraw/zinc/67/98/69/994679869.db2.gz QMKGSRZZFCBXOY-LLVKDONJSA-N -1 0 328.393 3.952 20 0 EHADRM COc1cccc([C@@H]2C[C@H]2C(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001599667234 994750152 /nfs/dbraw/zinc/75/01/52/994750152.db2.gz YKUSAQXEXRFHHP-LSDHHAIUSA-N -1 0 346.766 3.756 20 0 EHADRM CNc1ccc(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])cc1F ZINC001598678618 994889303 /nfs/dbraw/zinc/88/93/03/994889303.db2.gz KIDBYXIHPVRQMO-UHFFFAOYSA-N -1 0 330.359 3.941 20 0 EHADRM CNc1ccc(C(=O)Nc2ccc(OC(C)C)cc2C(=O)[O-])cc1F ZINC001598678888 994893793 /nfs/dbraw/zinc/89/37/93/994893793.db2.gz OWZDWQIIJBNIEM-UHFFFAOYSA-N -1 0 346.358 3.605 20 0 EHADRM COc1cccc(Cl)c1NC(=O)N[C@H](CC(=O)[O-])C1CCCC1 ZINC001599677696 994924393 /nfs/dbraw/zinc/92/43/93/994924393.db2.gz URZRSRMKODFBNM-GFCCVEGCSA-N -1 0 340.807 3.504 20 0 EHADRM COc1cccc(N[C@H](C)CC(=O)Nc2cccc(C(=O)[O-])c2)c1C ZINC001599679999 994963246 /nfs/dbraw/zinc/96/32/46/994963246.db2.gz SDSCKQCBHQMLJI-GFCCVEGCSA-N -1 0 342.395 3.531 20 0 EHADRM C[C@@H](N[C@@H](C)c1nc(C(=O)[O-])co1)c1ccc(OC(F)(F)F)cc1 ZINC001593354177 994988134 /nfs/dbraw/zinc/98/81/34/994988134.db2.gz JVTVIFUGPKQEBX-BDAKNGLRSA-N -1 0 344.289 3.683 20 0 EHADRM CO/C(=C/c1ccccc1)C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001598685689 995000224 /nfs/dbraw/zinc/00/02/24/995000224.db2.gz YVPZWMXGOXBOOP-VGOFMYFVSA-N -1 0 349.745 3.803 20 0 EHADRM C[C@@H](Nc1ccc(O[C@H]2CC2(F)F)cc1)c1cncc(C(=O)[O-])c1 ZINC001593362993 995034138 /nfs/dbraw/zinc/03/41/38/995034138.db2.gz MRPPEFLMCICUKN-BMIGLBTASA-N -1 0 334.322 3.739 20 0 EHADRM C[C@H](Nc1ccccc1OCC(F)F)c1ncc(C(=O)[O-])s1 ZINC001593366928 995055067 /nfs/dbraw/zinc/05/50/67/995055067.db2.gz IARABDGBORJYMK-QMMMGPOBSA-N -1 0 328.340 3.658 20 0 EHADRM C[C@H](Nc1cnc(C(=O)[O-])cn1)c1cccc(SC(F)(F)F)c1 ZINC001593366950 995055625 /nfs/dbraw/zinc/05/56/25/995055625.db2.gz IYOVCSIETUPUEL-QMMMGPOBSA-N -1 0 343.330 3.960 20 0 EHADRM COC(=O)[C@@H](S[C@@H](C)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001598711252 995351006 /nfs/dbraw/zinc/35/10/06/995351006.db2.gz IUZLOYJVDLEKIW-UFBFGSQYSA-N -1 0 336.331 3.516 20 0 EHADRM COC(=O)[C@H](SCc1ccccc1F)c1cccc(C(=O)[O-])c1 ZINC001598713706 995377958 /nfs/dbraw/zinc/37/79/58/995377958.db2.gz XHMGBFVBUCEAJD-OAHLLOKOSA-N -1 0 334.368 3.671 20 0 EHADRM COC(=O)[C@@H](N[C@H](C)c1cccc(Cl)c1)c1cccc(C(=O)[O-])c1 ZINC001598713837 995380319 /nfs/dbraw/zinc/38/03/19/995380319.db2.gz OURWETQXJXRGCW-BZNIZROVSA-N -1 0 347.798 3.603 20 0 EHADRM Cc1cc(C)c(CC(=O)N(CCC(=O)[O-])Cc2ccccc2)c(C)c1 ZINC000683297253 1015943617 /nfs/dbraw/zinc/94/36/17/1015943617.db2.gz KCAITEDPRWPIBX-UHFFFAOYSA-N -1 0 339.435 3.658 20 0 EHADRM C[C@@H](C(=O)O[C@@H](C)c1cc(C(=O)[O-])co1)c1cn(C)c2ccccc12 ZINC001593484756 995443312 /nfs/dbraw/zinc/44/33/12/995443312.db2.gz LOESHQOHJUOZER-NEPJUHHUSA-N -1 0 341.363 3.877 20 0 EHADRM C[C@H](OC(=O)[C@@H](C)c1cn(C)c2ccccc12)c1cc(C(=O)[O-])co1 ZINC001593484763 995444567 /nfs/dbraw/zinc/44/45/67/995444567.db2.gz LOESHQOHJUOZER-RYUDHWBXSA-N -1 0 341.363 3.877 20 0 EHADRM C[C@H](OC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)c1cc(C(=O)[O-])co1 ZINC001593501709 995505897 /nfs/dbraw/zinc/50/58/97/995505897.db2.gz UWPLYZOAPRHFNJ-INTQDDNPSA-N -1 0 336.290 3.664 20 0 EHADRM C[C@@H](OC(=O)CSc1nc2ccccc2o1)c1ccc(C(=O)[O-])o1 ZINC001593534511 995589533 /nfs/dbraw/zinc/58/95/33/995589533.db2.gz AYPPEKLRJWXYSC-SECBINFHSA-N -1 0 347.348 3.516 20 0 EHADRM C[C@H](Oc1ccc(Cl)cc1)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC001593547250 995622330 /nfs/dbraw/zinc/62/23/30/995622330.db2.gz LECURPBSXIYIIP-UWVGGRQHSA-N -1 0 338.743 3.703 20 0 EHADRM C[C@@H](OC(=O)c1cccnc1SC(F)F)c1ccc(C(=O)[O-])o1 ZINC001593591756 995717160 /nfs/dbraw/zinc/71/71/60/995717160.db2.gz KNTAIAGUHQVQTJ-SSDOTTSWSA-N -1 0 343.307 3.606 20 0 EHADRM CC(C)c1ccc(C(=O)[C@H](C)OC(=O)c2cscc2C(=O)[O-])cc1 ZINC001593599460 995747395 /nfs/dbraw/zinc/74/73/95/995747395.db2.gz HTDQHKNFPCMMNH-NSHDSACASA-N -1 0 346.404 3.998 20 0 EHADRM C[C@@H](OC1CCCCC1)C(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC001593603652 995771974 /nfs/dbraw/zinc/77/19/74/995771974.db2.gz YOXAOMJKXNQTPX-MRXNPFEDSA-N -1 0 347.455 3.618 20 0 EHADRM CCOC(=O)/C=C\c1ccc(NC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000255045031 1015989109 /nfs/dbraw/zinc/98/91/09/1015989109.db2.gz SUFUYXWPOSRPFD-YHYXMXQVSA-N -1 0 345.782 3.874 20 0 EHADRM C[C@H](Oc1ccccc1F)c1nnc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001593651991 996015140 /nfs/dbraw/zinc/01/51/40/996015140.db2.gz UWZKTSFCAAIPNK-JTQLQIEISA-N -1 0 328.299 3.714 20 0 EHADRM C[C@@H](S[C@@H](C)c1nc(-c2ccccc2)no1)c1nc(C(=O)[O-])co1 ZINC001593658513 996032332 /nfs/dbraw/zinc/03/23/32/996032332.db2.gz ICXAAWFISXLMRS-ZJUUUORDSA-N -1 0 345.380 3.978 20 0 EHADRM C[C@@H](Sc1nc(C(=O)[O-])cs1)c1nnc(-c2ccccc2)o1 ZINC001593680383 996108896 /nfs/dbraw/zinc/10/88/96/996108896.db2.gz XUWNPCUPUYTAKK-MRVPVSSYSA-N -1 0 333.394 3.745 20 0 EHADRM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001593698039 996160402 /nfs/dbraw/zinc/16/04/02/996160402.db2.gz CUHZTDKKXSSSBL-JTQLQIEISA-N -1 0 333.775 3.658 20 0 EHADRM C[C@@H](c1nc(C(=O)[O-])co1)N1CCC(c2ccc(Cl)cc2)CC1 ZINC001593725122 996273825 /nfs/dbraw/zinc/27/38/25/996273825.db2.gz MYVVYIYLNMSXAX-NSHDSACASA-N -1 0 334.803 3.967 20 0 EHADRM CC1(C(=O)Nc2cccc(C(=O)[O-])c2Br)CCCC1 ZINC001593761369 996421381 /nfs/dbraw/zinc/42/13/81/996421381.db2.gz IBARXUCYHYABTM-UHFFFAOYSA-N -1 0 326.190 3.666 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)C1 ZINC001593765488 996441059 /nfs/dbraw/zinc/44/10/59/996441059.db2.gz RSFUYOFJVQFKBQ-GOSISDBHSA-N -1 0 349.858 3.865 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C2(Cc3cccs3)CCCCC2)C1 ZINC001593765884 996443523 /nfs/dbraw/zinc/44/35/23/996443523.db2.gz ZYGHVOAUKAKJAF-SFHVURJKSA-N -1 0 349.496 3.954 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)CC2(CSc3ccccc3)CC2)C1 ZINC001593766425 996446146 /nfs/dbraw/zinc/44/61/46/996446146.db2.gz OFCXLAPWRYGZBB-GOSISDBHSA-N -1 0 347.480 3.662 20 0 EHADRM CC1(C)C(C)(C)C1(C)C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001593825971 996570721 /nfs/dbraw/zinc/57/07/21/996570721.db2.gz ORAOBEWEAGUTNA-OAHLLOKOSA-N -1 0 343.467 3.993 20 0 EHADRM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1ccccc1CCC(=O)[O-] ZINC001593826276 996571343 /nfs/dbraw/zinc/57/13/43/996571343.db2.gz VKNVVCPNRSNZIE-CYBMUJFWSA-N -1 0 343.345 3.507 20 0 EHADRM CC1(C)C(C)(C)C1(C)NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001593830786 996573939 /nfs/dbraw/zinc/57/39/39/996573939.db2.gz LRWRCKQFTSZTHF-UHFFFAOYSA-N -1 0 326.343 3.609 20 0 EHADRM CC1(C)C(CNC(=O)Nc2cc(C(=O)[O-])cc3cccnc32)C1(C)C ZINC001593831308 996575570 /nfs/dbraw/zinc/57/55/70/996575570.db2.gz VQSLCROUFZEXEQ-UHFFFAOYSA-N -1 0 341.411 3.737 20 0 EHADRM CC1(C)C(C)(C)C1(C)C(=O)OCc1c(F)cc(C(=O)[O-])cc1F ZINC001593831361 996576312 /nfs/dbraw/zinc/57/63/12/996576312.db2.gz YYIQEDNQCYITJT-UHFFFAOYSA-N -1 0 326.339 3.779 20 0 EHADRM CC1(C)CC(CNC(=O)c2ccc(/C=C\C(=O)[O-])o2)CC(C)(C)C1 ZINC001593853625 996633031 /nfs/dbraw/zinc/63/30/31/996633031.db2.gz NFXRKVAYKWBJHX-VURMDHGXSA-N -1 0 333.428 3.960 20 0 EHADRM CC1(C)C[C@@H](Nc2cc(CC(=O)[O-])ccn2)c2ccc(F)cc2O1 ZINC001593859821 996652314 /nfs/dbraw/zinc/65/23/14/996652314.db2.gz KIXLXLUZKNZDKG-CQSZACIVSA-N -1 0 330.359 3.562 20 0 EHADRM CC1(C)C[C@@H](O)c2cccc(NCc3csc(C(=O)[O-])c3)c2O1 ZINC001593862290 996661244 /nfs/dbraw/zinc/66/12/44/996661244.db2.gz YYJMAGKRPKWZGR-CYBMUJFWSA-N -1 0 333.409 3.653 20 0 EHADRM CC1(C)C[C@@H](c2ccccc2)CN1C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001593864522 996666925 /nfs/dbraw/zinc/66/69/25/996666925.db2.gz WKABQSUMHVGDHY-HLRDLLSLSA-N -1 0 339.391 3.786 20 0 EHADRM CC1(C)C[C@@]1(CNC(=O)c1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC001593864768 996669060 /nfs/dbraw/zinc/66/90/60/996669060.db2.gz GOJGAWNTWYSYRQ-HXUWFJFHSA-N -1 0 341.382 3.622 20 0 EHADRM CS[C@@H]1CCC[C@@H](NC(=O)c2cccc(Br)c2[O-])C1 ZINC000536689856 1032137072 /nfs/dbraw/zinc/13/70/72/1032137072.db2.gz FBUYQULGACZRHO-NXEZZACHSA-N -1 0 344.274 3.559 20 0 EHADRM CC1(C)CCC(C)(C)c2cc(C(=O)N[C@H]3CC=C(C(=O)[O-])C3)ccc21 ZINC001593874425 996690390 /nfs/dbraw/zinc/69/03/90/996690390.db2.gz SVZWEKUYGSASEW-HNNXBMFYSA-N -1 0 341.451 3.939 20 0 EHADRM CC1(C)CC[C@H](C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)[C@H](c2ccccc2)C1 ZINC001593874895 996692724 /nfs/dbraw/zinc/69/27/24/996692724.db2.gz RNRPJAZOAFSYRU-SQNIBIBYSA-N -1 0 341.451 3.886 20 0 EHADRM CC1(C)CC[C@H](CCNc2ncc(C(=O)[O-])cc2C(F)(F)F)OC1 ZINC001593877359 996700367 /nfs/dbraw/zinc/70/03/67/996700367.db2.gz ZCVWTEKNGINFPX-LLVKDONJSA-N -1 0 346.349 3.806 20 0 EHADRM CC1(C)CC[C@H]2C[C@@H](NC(=O)c3c[nH]c(C(=O)[O-])c3)c3cccc1c32 ZINC001593886130 996723925 /nfs/dbraw/zinc/72/39/25/996723925.db2.gz QHXVNLKVUCHOFV-XHDPSFHLSA-N -1 0 338.407 3.743 20 0 EHADRM CC1(C)CCC[C@](NC(=O)c2cnc(-c3ccco3)s2)(C(=O)[O-])C1 ZINC001593892572 996742009 /nfs/dbraw/zinc/74/20/09/996742009.db2.gz OIRMHWMQNGMVRC-QGZVFWFLSA-N -1 0 348.424 3.557 20 0 EHADRM CC1(C)CCC[C@](NC(=O)c2cc3ccccc3cc2O)(C(=O)[O-])C1 ZINC001593892837 996743920 /nfs/dbraw/zinc/74/39/20/996743920.db2.gz SZXIHBPZDAVQRL-HXUWFJFHSA-N -1 0 341.407 3.699 20 0 EHADRM CC1(C)CCC[C@@H](c2cccc(NC(=O)NCCOCC(=O)[O-])c2)C1 ZINC001593896839 996755363 /nfs/dbraw/zinc/75/53/63/996755363.db2.gz CVHCPXGKQWAOMG-OAHLLOKOSA-N -1 0 348.443 3.593 20 0 EHADRM CCCc1nc(=NC(=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)s[n-]1 ZINC000466899693 1016062484 /nfs/dbraw/zinc/06/24/84/1016062484.db2.gz LQKIPKSNINWMPR-QMMMGPOBSA-N -1 0 344.267 3.962 20 0 EHADRM CC1(C)CCCC[C@@H]1CC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001593904399 996781872 /nfs/dbraw/zinc/78/18/72/996781872.db2.gz FBGRLRFIOABHAD-KZNAEPCWSA-N -1 0 343.467 3.920 20 0 EHADRM COc1ccc(C(=O)N2CCCc3ccc(C)c(C(=O)[O-])c32)cc1C ZINC001599481648 996782949 /nfs/dbraw/zinc/78/29/49/996782949.db2.gz WJKMZUYAFFTLEF-UHFFFAOYSA-N -1 0 339.391 3.603 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)c1cc2ccc(F)cc2s1 ZINC001599379069 996802414 /nfs/dbraw/zinc/80/24/14/996802414.db2.gz KOTVPZYWHWOROA-UHFFFAOYSA-N -1 0 346.335 3.966 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC001599379572 996809548 /nfs/dbraw/zinc/80/95/48/996809548.db2.gz LBMNEDFNJUJKQL-HOTGVXAUSA-N -1 0 328.364 3.693 20 0 EHADRM COCc1c2ccccc2oc1C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC001599278255 996847628 /nfs/dbraw/zinc/84/76/28/996847628.db2.gz JFBFWVQGQPGYED-UHFFFAOYSA-N -1 0 343.310 3.669 20 0 EHADRM CC1(C)CCc2onc(CSCc3cccc(C(=O)[O-])n3)c2C1 ZINC001593924447 996848263 /nfs/dbraw/zinc/84/82/63/996848263.db2.gz KAAUICITZJKEAV-UHFFFAOYSA-N -1 0 332.425 3.716 20 0 EHADRM COC[C@H](NCc1ccc(-c2ccccc2C(=O)[O-])o1)c1ccco1 ZINC001599176600 996856479 /nfs/dbraw/zinc/85/64/79/996856479.db2.gz FNCNIZMLWPZYEG-INIZCTEOSA-N -1 0 341.363 3.715 20 0 EHADRM COc1ccc(NC(=O)c2c([O-])cc(Cl)cc2Cl)c(O)c1 ZINC000443559576 1016071218 /nfs/dbraw/zinc/07/12/18/1016071218.db2.gz NBQDRVAMMWICKT-UHFFFAOYSA-N -1 0 328.151 3.666 20 0 EHADRM CC1(C)CN(C(=O)NCc2ccc(C(=O)[O-])s2)c2cc(F)ccc21 ZINC001593929162 996887124 /nfs/dbraw/zinc/88/71/24/996887124.db2.gz MCCMPISMWSOZRJ-UHFFFAOYSA-N -1 0 348.399 3.593 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccc(Cl)cc2SCCC(=O)[O-])C1 ZINC001593933916 996894788 /nfs/dbraw/zinc/89/47/88/996894788.db2.gz CLICLUCDFQQRIC-UHFFFAOYSA-N -1 0 342.848 3.781 20 0 EHADRM COCc1cc(Cl)ccc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC001599282533 996915896 /nfs/dbraw/zinc/91/58/96/996915896.db2.gz VFZRBKKNHBOESV-UHFFFAOYSA-N -1 0 347.798 3.756 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cc(C)c(F)c(C)c2)c1F ZINC001599489871 996919397 /nfs/dbraw/zinc/91/93/97/996919397.db2.gz OFNSRKQCXPCHJF-UHFFFAOYSA-N -1 0 335.306 3.541 20 0 EHADRM COCc1cc(NC(=O)N(C)[C@H](C)c2cccs2)cc(C(=O)[O-])c1 ZINC001599283481 996933153 /nfs/dbraw/zinc/93/31/53/996933153.db2.gz IKXOMDHDAPCXAC-LLVKDONJSA-N -1 0 348.424 3.818 20 0 EHADRM CC1(C)CN([C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)CC(C)(C)O1 ZINC001593941078 996956498 /nfs/dbraw/zinc/95/64/98/996956498.db2.gz VRNNGJLYHYLBMZ-CYBMUJFWSA-N -1 0 345.361 3.721 20 0 EHADRM CC1(C)CN(Cc2ccc(OCC(=O)[O-])cc2)c2cc(F)ccc21 ZINC001593942854 996973647 /nfs/dbraw/zinc/97/36/47/996973647.db2.gz RIUIUBNKSNWKST-UHFFFAOYSA-N -1 0 329.371 3.587 20 0 EHADRM CC1(C)CN(Cn2ncc3cc(C(=O)[O-])ccc32)[C@@H]1c1cccs1 ZINC001593945385 996991685 /nfs/dbraw/zinc/99/16/85/996991685.db2.gz XUVKZVUIUMQJBX-MRXNPFEDSA-N -1 0 341.436 3.837 20 0 EHADRM COCc1cc(NC(=O)N[C@@H](C)C2CCCCC2)cc(C(=O)[O-])c1 ZINC001599287009 996997383 /nfs/dbraw/zinc/99/73/83/996997383.db2.gz YNGIZKFVQFFJLP-LBPRGKRZSA-N -1 0 334.416 3.622 20 0 EHADRM COc1cc([C@@H](C)Nc2cc(CC(=O)[O-])ccn2)ccc1OC(C)C ZINC001599389444 997006986 /nfs/dbraw/zinc/00/69/86/997006986.db2.gz PBHZKNVUTKDFJE-CYBMUJFWSA-N -1 0 344.411 3.678 20 0 EHADRM CC1(C)CO[C@@H](CCC(=O)N2CCCCc3cc(C(=O)[O-])ccc32)C1 ZINC001593952630 997023890 /nfs/dbraw/zinc/02/38/90/997023890.db2.gz FGXRYFNHTCOSGC-INIZCTEOSA-N -1 0 345.439 3.649 20 0 EHADRM COCc1cc(NCc2cccc3c2NCCC3)cc(C(=O)[O-])c1 ZINC001599289722 997043374 /nfs/dbraw/zinc/04/33/74/997043374.db2.gz LZIHKNDWZSTLLL-UHFFFAOYSA-N -1 0 326.396 3.501 20 0 EHADRM COCc1cc(NCc2cc3cc(Cl)cnc3o2)cc(C(=O)[O-])c1 ZINC001599289770 997044478 /nfs/dbraw/zinc/04/44/78/997044478.db2.gz MWNQVXYSTCZEOH-UHFFFAOYSA-N -1 0 346.770 3.938 20 0 EHADRM COc1ccc(C(=O)[O-])c2c1CN([C@@H](C)c1c(F)cccc1F)CC2 ZINC001599497920 997051850 /nfs/dbraw/zinc/05/18/50/997051850.db2.gz KUXWDYOZBJPUSW-NSHDSACASA-N -1 0 347.361 3.791 20 0 EHADRM COc1ccc(C(=O)[O-])cc1CN1CC(C)(C)c2ccc(F)cc21 ZINC001599499014 997075417 /nfs/dbraw/zinc/07/54/17/997075417.db2.gz OBCYDXFJARBFCO-UHFFFAOYSA-N -1 0 329.371 3.830 20 0 EHADRM COCc1ccc(NCc2ccc(C(=O)[O-])c(Cl)c2)cc1OC ZINC001599294423 997113589 /nfs/dbraw/zinc/11/35/89/997113589.db2.gz FDFGDCZRBFFZBF-UHFFFAOYSA-N -1 0 335.787 3.805 20 0 EHADRM CC1(C)Cc2cccc(NC(=O)NCC3(CC(=O)[O-])CCCC3)c2O1 ZINC001593969261 997130732 /nfs/dbraw/zinc/13/07/32/997130732.db2.gz GWEYBGYKWIKLKP-UHFFFAOYSA-N -1 0 346.427 3.557 20 0 EHADRM CO[C@]1(C)CCCN(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)C1 ZINC001599088946 997154610 /nfs/dbraw/zinc/15/46/10/997154610.db2.gz ZASUFUKIVSQLDI-LJQANCHMSA-N -1 0 342.395 3.571 20 0 EHADRM COc1cc(C=CC(=O)[O-])ccc1OCC(=O)c1ccc(C)cc1C ZINC001599398336 997169921 /nfs/dbraw/zinc/16/99/21/997169921.db2.gz DOOIKDBETBMFDL-RMKNXTFCSA-N -1 0 340.375 3.672 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC001599399779 997193607 /nfs/dbraw/zinc/19/36/07/997193607.db2.gz ORUPJXVNIOCJSL-VIGJRRFGSA-N -1 0 330.380 3.525 20 0 EHADRM COCc1csc(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC001599300265 997220042 /nfs/dbraw/zinc/22/00/42/997220042.db2.gz XYNLGWBIEXJURD-ZDUSSCGKSA-N -1 0 340.784 3.531 20 0 EHADRM COCc1nc(NC(=O)[C@H](C)CC2CCCCC2)sc1C(=O)[O-] ZINC001599303191 997267864 /nfs/dbraw/zinc/26/78/64/997267864.db2.gz RQDVDNFFTWUAMG-SNVBAGLBSA-N -1 0 340.445 3.533 20 0 EHADRM C[C@@]1(C2CCCCC2)CCN1C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001593992667 997273291 /nfs/dbraw/zinc/27/32/91/997273291.db2.gz MTAGKBCXSWSZQP-HDYDNRTBSA-N -1 0 333.472 3.983 20 0 EHADRM COc1cc(CNC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)ccc1C ZINC001599411454 997429260 /nfs/dbraw/zinc/42/92/60/997429260.db2.gz BOPBLJCNUCUHEA-CYBMUJFWSA-N -1 0 342.395 3.513 20 0 EHADRM CO[C@@H]1CCC[C@H](CC(=O)Nc2cccc(Cl)c2C(=O)[O-])C1 ZINC001599112060 997587217 /nfs/dbraw/zinc/58/72/17/997587217.db2.gz JABAPHIZLSHJMC-WDEREUQCSA-N -1 0 325.792 3.572 20 0 EHADRM COc1cc(Cl)ccc1C(=O)Oc1cc(C(=O)[O-])cc(F)c1C ZINC001599420787 997591485 /nfs/dbraw/zinc/59/14/85/997591485.db2.gz JOYBHQCCUKCAKR-UHFFFAOYSA-N -1 0 338.718 3.714 20 0 EHADRM C[C@@]1(Cc2ccccc2)SCCN1C(=O)c1cccc(C(=O)[O-])c1 ZINC001594041743 997667650 /nfs/dbraw/zinc/66/76/50/997667650.db2.gz SLURFPZQJBPFJH-IBGZPJMESA-N -1 0 341.432 3.533 20 0 EHADRM COc1cc(F)cc(NC(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC001599426150 997678556 /nfs/dbraw/zinc/67/85/56/997678556.db2.gz ZEIXWGJTYKOBDP-NSHDSACASA-N -1 0 346.358 3.742 20 0 EHADRM C[C@@]1(Cc2noc(-c3ccc(C(=O)[O-])s3)n2)CC1(Cl)Cl ZINC001594043847 997682727 /nfs/dbraw/zinc/68/27/27/997682727.db2.gz SEDFVCTWVXBASD-LLVKDONJSA-N -1 0 333.196 3.623 20 0 EHADRM COc1ccc(C)cc1NC(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001599535610 997739302 /nfs/dbraw/zinc/73/93/02/997739302.db2.gz CUFFROWAGCIPQC-UHFFFAOYSA-N -1 0 334.416 3.550 20 0 EHADRM COc1ccc(C2(NC(=O)Nc3cc(C(=O)[O-])sc3C)CC2)cc1 ZINC001599537943 997778806 /nfs/dbraw/zinc/77/88/06/997778806.db2.gz BLJAMURFXAQTQP-UHFFFAOYSA-N -1 0 346.408 3.574 20 0 EHADRM COc1cc(NC(=O)C2(CCc3ccccc3)CC2)ccc1C(=O)[O-] ZINC001599432912 997791753 /nfs/dbraw/zinc/79/17/53/997791753.db2.gz BEJBYGZDRAMPSH-UHFFFAOYSA-N -1 0 339.391 3.745 20 0 EHADRM COc1cc(NC(=O)N2CCC[C@@H]2c2ccccc2)ccc1C(=O)[O-] ZINC001599434069 997810451 /nfs/dbraw/zinc/81/04/51/997810451.db2.gz BCDMRZDFVAPMRG-MRXNPFEDSA-N -1 0 340.379 3.762 20 0 EHADRM COC(=O)c1cc(CSc2ncccc2Cl)cc(C(=O)[O-])c1 ZINC001598933978 997826367 /nfs/dbraw/zinc/82/63/67/997826367.db2.gz BDUPYFJLDZPTRO-UHFFFAOYSA-N -1 0 337.784 3.512 20 0 EHADRM COC(=O)c1cc(CSCc2ccccc2C)cc(C(=O)[O-])c1 ZINC001598934472 997836586 /nfs/dbraw/zinc/83/65/86/997836586.db2.gz LYFGRPOTALZACQ-UHFFFAOYSA-N -1 0 330.405 3.913 20 0 EHADRM O=S(=O)([N-][C@@H]1CCCc2occc21)c1c(Cl)ccc(F)c1F ZINC000340042126 1016161922 /nfs/dbraw/zinc/16/19/22/1016161922.db2.gz PTLOPSYKTXBISD-LLVKDONJSA-N -1 0 347.770 3.567 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)C(C1CCC1)C1CCC1 ZINC001599544459 997900199 /nfs/dbraw/zinc/90/01/99/997900199.db2.gz SHTYTNVPRLFVEQ-LUAWRHEFSA-N -1 0 344.407 3.915 20 0 EHADRM COc1cc(NC(=O)NC2CCC(C(C)C)CC2)ccc1C(=O)[O-] ZINC001599439048 997900666 /nfs/dbraw/zinc/90/06/66/997900666.db2.gz YCOFOMNKMMTIKB-UHFFFAOYSA-N -1 0 334.416 3.730 20 0 EHADRM COc1c(NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)cccc1C(=O)[O-] ZINC001599341505 997930372 /nfs/dbraw/zinc/93/03/72/997930372.db2.gz BZUVMLDJUJGHCK-KUHUBIRLSA-N -1 0 325.364 3.526 20 0 EHADRM COc1c(NC(=O)NC(CC(C)C)CC(C)C)cccc1C(=O)[O-] ZINC001599341703 997933218 /nfs/dbraw/zinc/93/32/18/997933218.db2.gz VAXKVXRJGQJEDF-UHFFFAOYSA-N -1 0 336.432 3.976 20 0 EHADRM COc1c(NC(=O)N[C@H]2CCC(C)(C)C[C@@H]2C)cccc1C(=O)[O-] ZINC001599342460 997944492 /nfs/dbraw/zinc/94/44/92/997944492.db2.gz XKQBMMQTPFMRGM-AAEUAGOBSA-N -1 0 334.416 3.730 20 0 EHADRM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001594076430 997946937 /nfs/dbraw/zinc/94/69/37/997946937.db2.gz IRGJAZQIMKUSEN-FXAWDEMLSA-N -1 0 338.407 3.556 20 0 EHADRM CC1(c2ccccc2)CCC(NC(=O)N2CCC[C@H]2CC(=O)[O-])CC1 ZINC001594076914 997950735 /nfs/dbraw/zinc/95/07/35/997950735.db2.gz QPMJYVVIICQAJJ-GNZRSQJKSA-N -1 0 344.455 3.536 20 0 EHADRM COc1cc(N[C@@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)c(C)cc1C ZINC001599442616 997953928 /nfs/dbraw/zinc/95/39/28/997953928.db2.gz GJYOZXSIMNWDOF-ZDUSSCGKSA-N -1 0 344.411 3.638 20 0 EHADRM CC1(c2ccccc2)CN(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)C1 ZINC001594078966 997958017 /nfs/dbraw/zinc/95/80/17/997958017.db2.gz DYKFNAJZKSUOKH-UHFFFAOYSA-N -1 0 349.390 3.672 20 0 EHADRM COc1cc(N[C@H](C)c2cncc(C(=O)[O-])c2)c(Cl)c(OC)c1 ZINC001599443439 997968230 /nfs/dbraw/zinc/96/82/30/997968230.db2.gz RTGVSTSYZDWIIY-SECBINFHSA-N -1 0 336.775 3.624 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN1C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001594079770 997973942 /nfs/dbraw/zinc/97/39/42/997973942.db2.gz RMFTZPPFNJGDEF-SGQUHAKNSA-N -1 0 325.364 3.529 20 0 EHADRM COc1cc(OC(=O)CCc2ccc(C)cc2C)ccc1C(=O)[O-] ZINC001599445991 998011139 /nfs/dbraw/zinc/01/11/39/998011139.db2.gz QIUWINZBQGLUDK-UHFFFAOYSA-N -1 0 328.364 3.548 20 0 EHADRM COc1cc(-c2nnc([C@H](C)CC(=O)[O-])o2)ccc1OCCC(C)C ZINC001599346392 998012804 /nfs/dbraw/zinc/01/28/04/998012804.db2.gz DETBHWCBBONIAP-GFCCVEGCSA-N -1 0 348.399 3.748 20 0 EHADRM COc1cc(-c2nc3cc(C(=O)[O-])ccc3n2C)ccc1SC ZINC001599346706 998019569 /nfs/dbraw/zinc/01/95/69/998019569.db2.gz KDARVKKTWXTFCK-UHFFFAOYSA-N -1 0 328.393 3.669 20 0 EHADRM COc1ccc(CCCCCC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)cc1 ZINC001599554853 998072655 /nfs/dbraw/zinc/07/26/55/998072655.db2.gz RDJLOKBSRQWYHL-SJORKVTESA-N -1 0 347.455 3.558 20 0 EHADRM COc1ccc(CN(C)Cc2cccc(C(=O)[O-])c2Cl)cc1C ZINC001599557885 998126640 /nfs/dbraw/zinc/12/66/40/998126640.db2.gz CMJHWSOKRPSVEK-UHFFFAOYSA-N -1 0 333.815 3.987 20 0 EHADRM CC1=C(C(=O)[O-])C[C@H](CN2CCCSc3ccc(Cl)cc32)O1 ZINC001594103526 998137330 /nfs/dbraw/zinc/13/73/30/998137330.db2.gz YFODNNSXFUKMTC-GFCCVEGCSA-N -1 0 339.844 3.790 20 0 EHADRM CC1=C(C)C[C@](C)(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)CC1 ZINC001594110013 998201571 /nfs/dbraw/zinc/20/15/71/998201571.db2.gz OGECJJQXOWTUBG-GOSISDBHSA-N -1 0 327.384 3.726 20 0 EHADRM COc1cc(OCc2coc(-c3cccc(F)c3)n2)ccc1C(=O)[O-] ZINC001599457068 998205903 /nfs/dbraw/zinc/20/59/03/998205903.db2.gz UZLYHGLQFMJXPA-UHFFFAOYSA-N -1 0 343.310 3.767 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)c1O ZINC001599358694 998223734 /nfs/dbraw/zinc/22/37/34/998223734.db2.gz BGIKVSCTRCQDHQ-NWDGAFQWSA-N -1 0 349.427 3.890 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)[C@@]2(C)CCC(C)=C(C)C2)c1O ZINC001599358892 998226515 /nfs/dbraw/zinc/22/65/15/998226515.db2.gz SSBGNUZWUOZGEK-SFHVURJKSA-N -1 0 333.384 3.564 20 0 EHADRM O=C(c1c([O-])cc(F)cc1F)N(CCc1cccc(F)c1)C1CC1 ZINC000120361678 1016211351 /nfs/dbraw/zinc/21/13/51/1016211351.db2.gz YHQZCXXEYULRLW-UHFFFAOYSA-N -1 0 335.325 3.657 20 0 EHADRM COCCc1nc2cc(N[C@@H](C(=O)[O-])c3ccccc3C)ccc2o1 ZINC001599265801 998466078 /nfs/dbraw/zinc/46/60/78/998466078.db2.gz NFJZKSFUVWJDEQ-GOSISDBHSA-N -1 0 340.379 3.563 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)NC[C@]1(C)CC[C@H](C)C1(C)C ZINC001599374906 998471038 /nfs/dbraw/zinc/47/10/38/998471038.db2.gz ZETAKPHETJRWFX-BUXKBTBVSA-N -1 0 348.443 3.977 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NCc1csc(-c2ccccn2)n1 ZINC001599375089 998473054 /nfs/dbraw/zinc/47/30/54/998473054.db2.gz KMRMEFXLEXAROB-UHFFFAOYSA-N -1 0 341.392 3.524 20 0 EHADRM COc1ccc(F)cc1C(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001599582167 998549488 /nfs/dbraw/zinc/54/94/88/998549488.db2.gz LPGDOORZTLPBDJ-KRWDZBQOSA-N -1 0 344.338 3.767 20 0 EHADRM C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1ccccc1CCC(=O)[O-] ZINC001594173122 998665049 /nfs/dbraw/zinc/66/50/49/998665049.db2.gz LBBFIBALDRSWPP-BXUZGUMPSA-N -1 0 343.345 3.507 20 0 EHADRM COC(=O)c1ccc(N[C@H]2CCC[C@@H](CCCC(=O)[O-])C2)c(OC)c1 ZINC001598983255 998677573 /nfs/dbraw/zinc/67/75/73/998677573.db2.gz CXSYLQKBGPWUFF-ZFWWWQNUSA-N -1 0 349.427 3.707 20 0 EHADRM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001594188484 998731788 /nfs/dbraw/zinc/73/17/88/998731788.db2.gz SQUMXVAUUHXQHK-WMZOPIPTSA-N -1 0 343.467 3.891 20 0 EHADRM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1C(=O)c1ccc(C2=CCCC2)cc1 ZINC001594205711 998790453 /nfs/dbraw/zinc/79/04/53/998790453.db2.gz JEIDZLRNANCHNU-KBPBESRZSA-N -1 0 327.424 3.968 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1C(=O)c1cc(-c2ccccc2)ns1 ZINC001594205921 998791855 /nfs/dbraw/zinc/79/18/55/998791855.db2.gz MOFKEULGQGUTAI-DABQJJPHSA-N -1 0 344.436 3.524 20 0 EHADRM C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC001594216643 998832829 /nfs/dbraw/zinc/83/28/29/998832829.db2.gz WQPXTWBKPJIMPN-RKDXNWHRSA-N -1 0 348.296 3.719 20 0 EHADRM C[C@H]1CC(C)(C)c2ccccc2N1C(=O)c1csc(C(=O)[O-])n1 ZINC001594217648 998838579 /nfs/dbraw/zinc/83/85/79/998838579.db2.gz VZZPGCIUBYTHCS-JTQLQIEISA-N -1 0 330.409 3.558 20 0 EHADRM C[C@@H](NC(=O)[C@H]1C[C@H](C)C[C@H](C)C1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001594219050 998840973 /nfs/dbraw/zinc/84/09/73/998840973.db2.gz BQZVVZGRPPHMCS-DTYCBIMDSA-N -1 0 331.456 3.507 20 0 EHADRM C[C@H]1CC(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C[C@H](C)C1 ZINC001594223107 998859759 /nfs/dbraw/zinc/85/97/59/998859759.db2.gz MUHOZQKPFWDKAK-ZIAGYGMSSA-N -1 0 344.455 3.996 20 0 EHADRM C[C@H]1C[C@H](CCNC(=O)Nc2cccc(C(=O)[O-])n2)CC(C)(C)C1 ZINC001594232678 998887429 /nfs/dbraw/zinc/88/74/29/998887429.db2.gz PINHBFBZMNAHBD-STQMWFEESA-N -1 0 333.432 3.754 20 0 EHADRM C[C@H]1C[C@H](NC(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CS1 ZINC001594257248 998990113 /nfs/dbraw/zinc/99/01/13/998990113.db2.gz FLEUSBXEHNRLSF-QWRGUYRKSA-N -1 0 330.409 3.554 20 0 EHADRM CO[C@@H](C(=O)[O-])c1ccccc1OCCOc1cc(C)ccc1C ZINC001599027847 999029171 /nfs/dbraw/zinc/02/91/71/999029171.db2.gz VPTVHMAFQKKEDQ-GOSISDBHSA-N -1 0 330.380 3.533 20 0 EHADRM C[C@H]1C[C@H](Nc2ccc(Cl)cc2SCCC(=O)[O-])CCO1 ZINC001594266434 999033122 /nfs/dbraw/zinc/03/31/22/999033122.db2.gz PQJCNPSYCCQKKY-CMPLNLGQSA-N -1 0 329.849 3.886 20 0 EHADRM CO[C@@](C)(C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC001599030104 999044301 /nfs/dbraw/zinc/04/43/01/999044301.db2.gz QGJXCEMJZOBMGU-QGZVFWFLSA-N -1 0 334.755 3.505 20 0 EHADRM C[C@H]1C[C@H](c2cccnc2)N(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC001594272491 999054365 /nfs/dbraw/zinc/05/43/65/999054365.db2.gz QKXXHODVNXLGAC-MEDUHNTESA-N -1 0 343.358 3.534 20 0 EHADRM C[C@@H]1C[C@H](c2cccnc2)N(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC001594273165 999059191 /nfs/dbraw/zinc/05/91/91/999059191.db2.gz ZJBHOMFCEQPJKT-BDJLRTHQSA-N -1 0 343.358 3.534 20 0 EHADRM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC001594287592 999112801 /nfs/dbraw/zinc/11/28/01/999112801.db2.gz WREHCSFVHAQSGA-GWOFURMSSA-N -1 0 336.457 3.760 20 0 EHADRM CO[C@@H](C)c1nc(CN[C@H](c2ccccc2)C(C)(C)C(=O)[O-])cs1 ZINC001599043506 999134611 /nfs/dbraw/zinc/13/46/11/999134611.db2.gz VQJJVKBJLMRIPU-SWLSCSKDSA-N -1 0 348.468 3.792 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)N[C@H](CC(=O)[O-])c2cccc3ccccc32)C1 ZINC001594295478 999136645 /nfs/dbraw/zinc/13/66/45/999136645.db2.gz HZFDBFMOLHTFDU-JCKWVBRZSA-N -1 0 325.408 3.908 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)N[C@H](CC(=O)[O-])c2cccc3ccccc32)C1 ZINC001594295476 999136716 /nfs/dbraw/zinc/13/67/16/999136716.db2.gz HZFDBFMOLHTFDU-DDUZABMNSA-N -1 0 325.408 3.908 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)N1CCC(CC(=O)[O-])CC1 ZINC001594296548 999142711 /nfs/dbraw/zinc/14/27/11/999142711.db2.gz OAEJGDITBNHSDA-DJIMGWMZSA-N -1 0 338.492 3.591 20 0 EHADRM C[C@@H]1CCC(C)(C)N1C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001594296963 999144502 /nfs/dbraw/zinc/14/45/02/999144502.db2.gz YZPYFNKQQOLPPR-HIFRSBDPSA-N -1 0 332.444 3.811 20 0 EHADRM CC(C)Oc1c(NC(=O)N2C[C@@H](C)CC[C@@H]2C)cccc1C(=O)[O-] ZINC001594299683 999157177 /nfs/dbraw/zinc/15/71/77/999157177.db2.gz FWBNJOIMUCXCME-STQMWFEESA-N -1 0 334.416 3.824 20 0 EHADRM C[C@H]1CCC(F)(F)CN1C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001594306973 999185806 /nfs/dbraw/zinc/18/58/06/999185806.db2.gz ORXRTXWWQJSVCJ-JTQLQIEISA-N -1 0 349.337 3.585 20 0 EHADRM C[C@@H]1CC[C@@](NC(=O)[C@@H]2C[C@H]2c2ccccc2)(C(=O)[O-])c2ccccc21 ZINC001594313112 999203706 /nfs/dbraw/zinc/20/37/06/999203706.db2.gz JHPYZNYFWSUFAC-ZWGUXKJGSA-N -1 0 349.430 3.784 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)Nc2cc(C(=O)[O-])cc3cccnc32)C[C@H]1C ZINC001594315401 999221546 /nfs/dbraw/zinc/22/15/46/999221546.db2.gz XEOFMHBNFCVNCQ-JMSVASOKSA-N -1 0 341.411 3.879 20 0 EHADRM CO[C@H](CNc1ccc(C[C@H](C)C(=O)[O-])cc1)Cc1ccccc1 ZINC001599056385 999233025 /nfs/dbraw/zinc/23/30/25/999233025.db2.gz VMIOYVJIGVMDSV-KXBFYZLASA-N -1 0 327.424 3.619 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)C2CCC=CCC2)(C(=O)[O-])c2ccccc21 ZINC001594321162 999234309 /nfs/dbraw/zinc/23/43/09/999234309.db2.gz NOTLJHAPIWYBCR-XOBRGWDASA-N -1 0 327.424 3.726 20 0 EHADRM CO[C@H](Cc1ccccc1)C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC001599056836 999235816 /nfs/dbraw/zinc/23/58/16/999235816.db2.gz CESMBQVWYJHFSN-GOSISDBHSA-N -1 0 341.407 3.704 20 0 EHADRM C[C@H]1CC[C@](NC(=O)c2cccc3c2CCC3)(C(=O)[O-])c2ccccc21 ZINC001594321851 999238628 /nfs/dbraw/zinc/23/86/28/999238628.db2.gz HLENJEJKUNZATH-RCDICMHDSA-N -1 0 349.430 3.783 20 0 EHADRM C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001594329927 999267852 /nfs/dbraw/zinc/26/78/52/999267852.db2.gz GUWXCUYMFPIYPM-BBRMVZONSA-N -1 0 339.395 3.785 20 0 EHADRM C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)Cc2ccccc2C(=O)[O-])C1 ZINC001594330476 999270646 /nfs/dbraw/zinc/27/06/46/999270646.db2.gz RCDFZWGNJITOSU-BEFAXECRSA-N -1 0 337.419 3.927 20 0 EHADRM Cc1ccc(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)c(F)c1Cl ZINC001594347456 999316317 /nfs/dbraw/zinc/31/63/17/999316317.db2.gz OAJXOOQEJVVYHW-SFHVURJKSA-N -1 0 349.789 3.560 20 0 EHADRM C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)NCCCC(=O)[O-])c2)C1 ZINC001594356177 999344474 /nfs/dbraw/zinc/34/44/74/999344474.db2.gz SPOKKKVGLRBNDJ-WMLDXEAASA-N -1 0 348.443 3.768 20 0 EHADRM C[C@@H]1CCCC[C@H]1C(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001594363932 999374523 /nfs/dbraw/zinc/37/45/23/999374523.db2.gz OZMGDOASNVJWKP-MLGOLLRUSA-N -1 0 329.396 3.616 20 0 EHADRM C[C@@H]1CCCC[C@@H]1OCC(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1 ZINC001594370784 999397685 /nfs/dbraw/zinc/39/76/85/999397685.db2.gz LSDBTFOCHCGXGA-CJNGLKHVSA-N -1 0 334.412 3.550 20 0 EHADRM C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001594388153 999468956 /nfs/dbraw/zinc/46/89/56/999468956.db2.gz INNUAGTZHSSLFM-CFLQYTFWSA-N -1 0 344.455 3.596 20 0 EHADRM C[C@@H]1CCN(C(=O)C2CCC(c3ccccc3)CC2)[C@H](C(=O)[O-])C1 ZINC001594395588 999489874 /nfs/dbraw/zinc/48/98/74/999489874.db2.gz BFDPYMZVYZRSHT-LTDKPHRXSA-N -1 0 329.440 3.672 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)N2CC[C@@H](C)C[C@@H]2C(=O)[O-])cc1 ZINC001594396132 999492672 /nfs/dbraw/zinc/49/26/72/999492672.db2.gz JPORSGKAUSEFJR-PGFQARHSSA-N -1 0 329.440 3.925 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)CC[C@@H]1C ZINC001594402782 999509693 /nfs/dbraw/zinc/50/96/93/999509693.db2.gz INRUMDKCMAXVSV-IUCAKERBSA-N -1 0 328.771 3.687 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc3cc(C(C)(C)C)ccc3[nH]2)[C@@H](C(=O)[O-])C1 ZINC001594409482 999529938 /nfs/dbraw/zinc/52/99/38/999529938.db2.gz GIHXUDMVZATYMM-YVEFUNNKSA-N -1 0 342.439 3.791 20 0 EHADRM CC1CCN(c2ccc(C(=O)Nc3ccc(C(=O)[O-])s3)cc2)CC1 ZINC001594434603 999613697 /nfs/dbraw/zinc/61/36/97/999613697.db2.gz ZHTVELJJCLIRNR-UHFFFAOYSA-N -1 0 344.436 3.935 20 0 EHADRM C[C@H]1CCc2ccccc2N1CCNc1ncc(C(=O)[O-])cc1Cl ZINC001594445675 999638331 /nfs/dbraw/zinc/63/83/31/999638331.db2.gz PEQBLMXEGKMXTR-LBPRGKRZSA-N -1 0 345.830 3.686 20 0 EHADRM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001594446014 999638963 /nfs/dbraw/zinc/63/89/63/999638963.db2.gz TVGNMABTGRPTGG-PIGZYNQJSA-N -1 0 342.370 3.969 20 0 EHADRM Cn1ccc(C(=O)N=c2nc(-c3ccsc3)[n-]s2)c1C1CCC1 ZINC000340116587 1016343030 /nfs/dbraw/zinc/34/30/30/1016343030.db2.gz IKMYDMFEGRHMCS-UHFFFAOYSA-N -1 0 344.465 3.547 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000655572964 1016357426 /nfs/dbraw/zinc/35/74/26/1016357426.db2.gz IHSPENAMPKYNTD-GFCCVEGCSA-N -1 0 329.849 3.539 20 0 EHADRM Cc1cc(Cl)c(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1C ZINC000655575002 1016375753 /nfs/dbraw/zinc/37/57/53/1016375753.db2.gz DNCIDTVNGLMUTP-FPMFFAJLSA-N -1 0 337.847 3.822 20 0 EHADRM C[C@H](NC(=O)c1ccc2sccc2c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655581259 1016478481 /nfs/dbraw/zinc/47/84/81/1016478481.db2.gz WOIIVEHMRKJBMD-LEWSCRJBSA-N -1 0 331.437 3.767 20 0 EHADRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2)c1C ZINC000650198599 1016508209 /nfs/dbraw/zinc/50/82/09/1016508209.db2.gz HMFXCKYNFWVOAZ-SECBINFHSA-N -1 0 345.827 3.756 20 0 EHADRM Cc1ccc2sc(C(=O)N=c3ncn(Cc4ccccc4)[n-]3)cc2c1 ZINC000579897487 1016572597 /nfs/dbraw/zinc/57/25/97/1016572597.db2.gz DGVLIISSRMWBBV-UHFFFAOYSA-N -1 0 348.431 3.524 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cc(C)n([C@H](C)C3CC3)n2)s1 ZINC000544099519 1016694693 /nfs/dbraw/zinc/69/46/93/1016694693.db2.gz OVYUWYKZLBDZSY-LLVKDONJSA-N -1 0 339.486 3.587 20 0 EHADRM COc1ccc([C@H](N=c2[n-]nc(C3CCOCC3)s2)C(C)C)cc1 ZINC000549108270 1016794315 /nfs/dbraw/zinc/79/43/15/1016794315.db2.gz BBMMZMBAOHZTIE-MRXNPFEDSA-N -1 0 347.484 3.672 20 0 EHADRM CC[C@@H](NC(=O)c1cc(F)c([O-])c(F)c1)c1cc(F)ccc1F ZINC000180055081 1016885304 /nfs/dbraw/zinc/88/53/04/1016885304.db2.gz KBEPVKDRNQFCMP-CQSZACIVSA-N -1 0 327.277 3.830 20 0 EHADRM CCC[C@@H]1CCC[C@@H]1C(=O)N[C@H](CC(=O)[O-])c1ccc(OC)cc1 ZINC000659118134 1016888202 /nfs/dbraw/zinc/88/82/02/1016888202.db2.gz VAYHXNMTXJEVPI-XOKHGSTOSA-N -1 0 333.428 3.544 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(Cl)c2[O-])nn1-c1ccc(F)cc1 ZINC000180885580 1016907919 /nfs/dbraw/zinc/90/79/19/1016907919.db2.gz VWBCRWCCXUTHHL-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM Cc1cccc(NC(=O)N[C@@H](Cc2cccc3ccccc32)C(=O)[O-])c1 ZINC000584522961 1016912759 /nfs/dbraw/zinc/91/27/59/1016912759.db2.gz NCOWWTQGUYREAQ-IBGZPJMESA-N -1 0 348.402 3.966 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@H]2CCC[C@@H]2C(=O)[O-])cc1Cl ZINC000388685933 1016968904 /nfs/dbraw/zinc/96/89/04/1016968904.db2.gz USYWAQATVWKZGW-RYUDHWBXSA-N -1 0 325.792 3.567 20 0 EHADRM C[C@@H](NC(=O)c1cc(Cl)ccc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655584080 1016972034 /nfs/dbraw/zinc/97/20/34/1016972034.db2.gz FGVUUPJVVHBYPU-JFUSQASVSA-N -1 0 344.238 3.859 20 0 EHADRM O=C([O-])C1CCC(C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000659757841 1016978866 /nfs/dbraw/zinc/97/88/66/1016978866.db2.gz LVHNRLPQYJTNMG-YMAMQOFZSA-N -1 0 335.831 3.547 20 0 EHADRM CCN(C(=O)c1sc(-c2ccc(C)cc2C)nc1C)[C@H](C)C(=O)[O-] ZINC000659771463 1016992512 /nfs/dbraw/zinc/99/25/12/1016992512.db2.gz LEGKIYITXHXRRG-CYBMUJFWSA-N -1 0 346.452 3.671 20 0 EHADRM C[C@@H](NC(=O)NCCCCCC(=O)[O-])c1cccc2ccccc21 ZINC000414600507 1017006693 /nfs/dbraw/zinc/00/66/93/1017006693.db2.gz PDNUDGZLICBXKY-CQSZACIVSA-N -1 0 328.412 3.845 20 0 EHADRM C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655585535 1017010430 /nfs/dbraw/zinc/01/04/30/1017010430.db2.gz ZAXRICOROGJRNS-INTQDDNPSA-N -1 0 344.238 3.859 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1Cc1nc(C2CCCC2)no1 ZINC000659793981 1017030307 /nfs/dbraw/zinc/03/03/07/1017030307.db2.gz CHGGRNMMPLNYHZ-HOTGVXAUSA-N -1 0 341.411 3.518 20 0 EHADRM CN(C(=O)NCCCCCC(=O)[O-])C1CCC(C(C)(C)C)CC1 ZINC000414624674 1017064229 /nfs/dbraw/zinc/06/42/29/1017064229.db2.gz JLUNVHLPNKILLV-UHFFFAOYSA-N -1 0 326.481 3.878 20 0 EHADRM O=C([O-])c1sc2ccsc2c1CNC(=O)C(C1CC1)C1CC1 ZINC000584344340 1032161544 /nfs/dbraw/zinc/16/15/44/1032161544.db2.gz NGKBYIPCGPITQJ-UHFFFAOYSA-N -1 0 335.450 3.713 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N(Cc1ccccc1F)C1CC1 ZINC000183336565 1032163698 /nfs/dbraw/zinc/16/36/98/1032163698.db2.gz JUVQTBMBRFREOH-UHFFFAOYSA-N -1 0 339.288 3.753 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1cnc2ccccc2n1 ZINC000389549456 1032203200 /nfs/dbraw/zinc/20/32/00/1032203200.db2.gz PTVOKGYKNIDXCH-UHFFFAOYSA-N -1 0 334.162 3.895 20 0 EHADRM CSCc1ccccc1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000184027541 1032225264 /nfs/dbraw/zinc/22/52/64/1032225264.db2.gz CVKRMWDLDUTXKD-UHFFFAOYSA-N -1 0 347.383 3.768 20 0 EHADRM COc1cc(Br)cnc1Nc1ccc(C(=O)[O-])cc1C ZINC001211615531 1032254364 /nfs/dbraw/zinc/25/43/64/1032254364.db2.gz UZAMVHJTTJSERB-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM CC(C)(C)c1cnc([N-]S(=O)(=O)Cc2ccc(F)cc2F)s1 ZINC000536767760 1032262203 /nfs/dbraw/zinc/26/22/03/1032262203.db2.gz NZUPRRROKVRSEE-UHFFFAOYSA-N -1 0 346.424 3.661 20 0 EHADRM CCOc1cc(CN2CCCC[C@@H]2c2ccnn2C)cc(Cl)c1O ZINC000459545524 1032264434 /nfs/dbraw/zinc/26/44/34/1032264434.db2.gz SEMZWTRKDUHREN-MRXNPFEDSA-N -1 0 349.862 3.905 20 0 EHADRM Cc1sc(C2(C(=O)[O-])CCOCC2)nc1-c1ccc(Cl)cc1 ZINC000905001192 1032313753 /nfs/dbraw/zinc/31/37/53/1032313753.db2.gz FTEPUSBRHVCPNF-UHFFFAOYSA-N -1 0 337.828 3.905 20 0 EHADRM CC(C)(c1csc(C2(C(=O)[O-])CCOCC2)n1)c1ccccc1 ZINC000905001485 1032316250 /nfs/dbraw/zinc/31/62/50/1032316250.db2.gz APQAMWBWVAYYPA-UHFFFAOYSA-N -1 0 331.437 3.602 20 0 EHADRM CC(C)(C)C[C@H]1CCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000081958118 1032377394 /nfs/dbraw/zinc/37/73/94/1032377394.db2.gz QBMMQPWWLUFFJJ-OAHLLOKOSA-N -1 0 345.418 3.758 20 0 EHADRM CCCCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccc(C)o1 ZINC000536899018 1032383095 /nfs/dbraw/zinc/38/30/95/1032383095.db2.gz BJRWUXUGFKKAAV-UHFFFAOYSA-N -1 0 339.413 3.576 20 0 EHADRM Cn1ccc(/C=C\c2nc3cc(C(=O)[O-])ccc3n2-c2ccccc2)n1 ZINC000536854521 1032383231 /nfs/dbraw/zinc/38/32/31/1032383231.db2.gz XMLJCZXDWCEKSK-NTMALXAHSA-N -1 0 344.374 3.628 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])NC(=O)C2CCCCCCC2)c1 ZINC000738113824 1032385207 /nfs/dbraw/zinc/38/52/07/1032385207.db2.gz CIDIZEQUEUPBHA-QGZVFWFLSA-N -1 0 333.428 3.688 20 0 EHADRM O=C(NCc1ccc(C(F)F)cc1)c1cc(F)c(F)c([O-])c1F ZINC000185405239 1032390714 /nfs/dbraw/zinc/39/07/14/1032390714.db2.gz RKORDTVEFHEDQM-UHFFFAOYSA-N -1 0 331.240 3.677 20 0 EHADRM COc1cccc([C@H](C)CC(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC000237325400 1032411462 /nfs/dbraw/zinc/41/14/62/1032411462.db2.gz SMEVZBCWUVYEAG-BMGYJQCNSA-N -1 0 339.391 3.925 20 0 EHADRM Cc1cccc(N=c2[n-]nc(SC[C@@H]3CCCOC3)s2)c1C ZINC000532386120 1032422929 /nfs/dbraw/zinc/42/29/29/1032422929.db2.gz VXEBRMQIHHTEHL-CYBMUJFWSA-N -1 0 335.498 3.839 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)c2coc(-c3ccccc3)n2)cc1 ZINC000255591055 1032427599 /nfs/dbraw/zinc/42/75/99/1032427599.db2.gz VATRRPMSLHVQCL-FLIBITNWSA-N -1 0 334.331 3.692 20 0 EHADRM COc1ccc(CNc2cccc(CC(=O)[O-])c2)cc1OCC(C)C ZINC000414635548 1017087099 /nfs/dbraw/zinc/08/70/99/1017087099.db2.gz HKRMHAVLBFDLQK-UHFFFAOYSA-N -1 0 343.423 3.969 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cccc(C)c2Cl)cc1C ZINC000537194278 1032553975 /nfs/dbraw/zinc/55/39/75/1032553975.db2.gz DPPJHQKQKDQBIC-LLVKDONJSA-N -1 0 341.864 3.925 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)[C@H](C)S[C@H](C)C(=O)[O-])cc1 ZINC000601987430 1032580914 /nfs/dbraw/zinc/58/09/14/1032580914.db2.gz XPICCFCBLQBMDP-SDDRHHMPSA-N -1 0 341.498 3.571 20 0 EHADRM CC[C@H](NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])c1cccc(Cl)c1 ZINC000601989684 1032582634 /nfs/dbraw/zinc/58/26/34/1032582634.db2.gz CBOGSVVJCPWBMY-KWBADKCTSA-N -1 0 329.849 3.502 20 0 EHADRM C[C@@H](Cc1cccs1)NC(=O)c1cccc(Br)c1[O-] ZINC000592831953 1032584057 /nfs/dbraw/zinc/58/40/57/1032584057.db2.gz ZFMPPPIDGNYIDL-VIFPVBQESA-N -1 0 340.242 3.577 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)NCc1ccc(-c2ccccc2)s1 ZINC000601988950 1032584099 /nfs/dbraw/zinc/58/40/99/1032584099.db2.gz BOSLMQMYGRHDDZ-NEPJUHHUSA-N -1 0 349.477 3.626 20 0 EHADRM CC[C@H](NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000601999759 1032586414 /nfs/dbraw/zinc/58/64/14/1032586414.db2.gz XEYVCLPLFAFGQL-KWBADKCTSA-N -1 0 329.849 3.502 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)N1CCC[C@@H]1CCCc1ccccc1)C(=O)[O-] ZINC000601999126 1032589165 /nfs/dbraw/zinc/58/91/65/1032589165.db2.gz BXNXZTNANITHER-ZOBUZTSGSA-N -1 0 349.496 3.595 20 0 EHADRM O=S(=O)([N-]c1nc2ccccc2n1-c1ccccc1)c1ccccc1 ZINC000592975391 1032619623 /nfs/dbraw/zinc/61/96/23/1032619623.db2.gz WYVWZOHKMSXWJG-UHFFFAOYSA-N -1 0 349.415 3.826 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2N2CCCC2)sc1C ZINC000091051139 1032626041 /nfs/dbraw/zinc/62/60/41/1032626041.db2.gz IZZINSWPSGOJNC-UHFFFAOYSA-N -1 0 336.482 3.766 20 0 EHADRM CC[C@H]1C[C@H](C)CN1C(=O)N=c1[n-]nc(-c2cc(F)ccc2C)s1 ZINC000471356439 1017188247 /nfs/dbraw/zinc/18/82/47/1017188247.db2.gz HVQLMWIYBLCFDV-GWCFXTLKSA-N -1 0 348.447 3.727 20 0 EHADRM O=C(NCCCc1ccc(Cl)cc1)c1cc(F)c([O-])c(F)c1 ZINC000183528427 1017341167 /nfs/dbraw/zinc/34/11/67/1017341167.db2.gz QKUFUGNBIYDNGY-UHFFFAOYSA-N -1 0 325.742 3.686 20 0 EHADRM CC(C)(C)Cc1n[n-]c(=NCc2cc(Br)ccc2F)o1 ZINC000537405663 1032706942 /nfs/dbraw/zinc/70/69/42/1032706942.db2.gz TZIBZQHBZQBICN-UHFFFAOYSA-N -1 0 342.212 3.594 20 0 EHADRM CCCCC[C@H](C(=O)[N-]S(=O)(=O)c1ccccc1C)C(C)C ZINC000756215486 1017574442 /nfs/dbraw/zinc/57/44/42/1017574442.db2.gz CPCKMCFKQYMDPE-HNNXBMFYSA-N -1 0 325.474 3.652 20 0 EHADRM Cc1ccc(CC(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1C ZINC000537413424 1032714649 /nfs/dbraw/zinc/71/46/49/1032714649.db2.gz NADSHMIYTFGLGE-KRWDZBQOSA-N -1 0 345.826 3.832 20 0 EHADRM Cc1ccccc1-c1n[n-]c(=NCc2c[nH]nc2-c2ccccc2F)o1 ZINC000377370635 1017714540 /nfs/dbraw/zinc/71/45/40/1017714540.db2.gz DSFOFPCCBLQHIZ-UHFFFAOYSA-N -1 0 349.369 3.608 20 0 EHADRM O=S(=O)(Cc1cccc(Cl)c1)[N-]c1cc(Cl)ccc1O ZINC000242503963 1017840504 /nfs/dbraw/zinc/84/05/04/1017840504.db2.gz BVAZMOBMPFARHL-UHFFFAOYSA-N -1 0 332.208 3.641 20 0 EHADRM O=C([O-])C[C@@H](NCc1ncc(C(F)(F)F)s1)c1cccs1 ZINC000669472726 1032728451 /nfs/dbraw/zinc/72/84/51/1032728451.db2.gz PXXYUQLGEUXICZ-SSDOTTSWSA-N -1 0 336.360 3.529 20 0 EHADRM Cc1cc(-c2ccc(F)s2)ccc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000579972952 1017920886 /nfs/dbraw/zinc/92/08/86/1017920886.db2.gz QLHNIFWQPVUVIM-ZDUSSCGKSA-N -1 0 347.411 3.799 20 0 EHADRM COc1ccc(NC(=O)c2sc(C(C)(C)C)nc2C)c(C(=O)[O-])c1 ZINC000574192671 1032734667 /nfs/dbraw/zinc/73/46/67/1032734667.db2.gz COAYNJVXMCOUBS-UHFFFAOYSA-N -1 0 348.424 3.708 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(C)c(O)c2C)c1 ZINC000047383634 1018111137 /nfs/dbraw/zinc/11/11/37/1018111137.db2.gz ROJIUZXHGDQLDW-UHFFFAOYSA-N -1 0 342.420 3.666 20 0 EHADRM Cc1sc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)nc1-c1ccccc1 ZINC000653296904 1018320595 /nfs/dbraw/zinc/32/05/95/1018320595.db2.gz DNFBADQWAFQRPI-OLZOCXBDSA-N -1 0 330.409 3.558 20 0 EHADRM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cc(C)cc(F)c2)n[nH]1 ZINC000471499278 1018326972 /nfs/dbraw/zinc/32/69/72/1018326972.db2.gz CRSYTWIDVPSNMG-NSHDSACASA-N -1 0 325.409 3.562 20 0 EHADRM CC(=O)c1cc(F)c(NC(=O)c2nc(C)c(C)s2)c(F)c1F ZINC000683755190 1018337399 /nfs/dbraw/zinc/33/73/99/1018337399.db2.gz TYUOTOFECMLTRH-UHFFFAOYSA-N -1 0 328.315 3.632 20 0 EHADRM Cc1ccc(-c2n[n-]c(=NCc3ccc(-n4ccnc4)cc3)o2)c(C)c1 ZINC000340553616 1018412885 /nfs/dbraw/zinc/41/28/85/1018412885.db2.gz KJCGSSUSSAMUSB-UHFFFAOYSA-N -1 0 345.406 3.573 20 0 EHADRM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)C(C)(C)c1ccccc1 ZINC000590299277 1018521329 /nfs/dbraw/zinc/52/13/29/1018521329.db2.gz LKWAEODRIJRPSQ-GFCCVEGCSA-N -1 0 339.407 3.609 20 0 EHADRM Cc1nc(C)c(S(=O)(=O)[N-]c2ccccc2OCC(C)C)s1 ZINC000433529115 1019078962 /nfs/dbraw/zinc/07/89/62/1019078962.db2.gz HQAMQOKTVIVFSH-UHFFFAOYSA-N -1 0 340.470 3.596 20 0 EHADRM Cc1nc(C)c(CN[C@]2(C(=O)[O-])C[C@@H](C(C)C)c3ccccc32)s1 ZINC000340672458 1019146865 /nfs/dbraw/zinc/14/68/65/1019146865.db2.gz AECGKDUPJZLQJN-HNAYVOBHSA-N -1 0 344.480 3.973 20 0 EHADRM O=C([O-])c1ccccc1Nc1cnc(Cl)c(Br)c1 ZINC001210969273 1019149136 /nfs/dbraw/zinc/14/91/36/1019149136.db2.gz KNOIFQOAMXVNAM-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM COc1ccc(C(=O)[O-])cc1NCc1nc2c(s1)C[C@@H](C)CC2 ZINC000340676331 1019159543 /nfs/dbraw/zinc/15/95/43/1019159543.db2.gz INEWRVHGLXMASC-JTQLQIEISA-N -1 0 332.425 3.587 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000565638696 1019209692 /nfs/dbraw/zinc/20/96/92/1019209692.db2.gz DNJQURYYOXCJIC-NSHDSACASA-N -1 0 341.860 3.779 20 0 EHADRM Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc([O-])c(Cl)c2)c(C)c1 ZINC000729237763 1019244497 /nfs/dbraw/zinc/24/44/97/1019244497.db2.gz HKSPYTJEXYCQDG-LBPRGKRZSA-N -1 0 347.798 3.846 20 0 EHADRM O=[P@@]([O-])(O)C1(Nc2cccc(C(F)F)c2)Cc2ccccc2C1 ZINC001167937532 1019250917 /nfs/dbraw/zinc/25/09/17/1019250917.db2.gz ZKGTWPOSXJTZKA-UHFFFAOYSA-N -1 0 339.278 3.709 20 0 EHADRM CCCN(C(=O)NCc1ccc(C)cc1SC)[C@@H](CC)C(=O)[O-] ZINC000580396105 1019266190 /nfs/dbraw/zinc/26/61/90/1019266190.db2.gz ZEEWEBDEZQJBAE-AWEZNQCLSA-N -1 0 338.473 3.502 20 0 EHADRM O=S(=O)([N-]c1cccc(OC(F)F)c1)c1ccccc1Cl ZINC000055598463 1019270024 /nfs/dbraw/zinc/27/00/24/1019270024.db2.gz STLBNZCBCQXRAG-UHFFFAOYSA-N -1 0 333.743 3.742 20 0 EHADRM COc1ccc(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)c(C)n1 ZINC001211044444 1019281190 /nfs/dbraw/zinc/28/11/90/1019281190.db2.gz RXUUAJTUBAMWKG-UHFFFAOYSA-N -1 0 344.392 3.542 20 0 EHADRM COc1ccc2c(c1)[C@@H](C(=O)Nc1ccc(C)c(C(=O)[O-])c1)CCC2 ZINC000656234667 1019487733 /nfs/dbraw/zinc/48/77/33/1019487733.db2.gz DWIHUHLMSWXXMJ-INIZCTEOSA-N -1 0 339.391 3.760 20 0 EHADRM COc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)o1 ZINC000656234500 1019493818 /nfs/dbraw/zinc/49/38/18/1019493818.db2.gz JSMPLQKURXUJBG-AWEZNQCLSA-N -1 0 345.395 3.532 20 0 EHADRM O=C([O-])COc1ccc(CCNC(=O)CCC2CCCCCC2)cc1 ZINC000656235337 1019497817 /nfs/dbraw/zinc/49/78/17/1019497817.db2.gz IFVLOWKZIPFUOD-UHFFFAOYSA-N -1 0 347.455 3.559 20 0 EHADRM CC(C)Sc1c(Cl)cccc1NC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC000261998711 1019510713 /nfs/dbraw/zinc/51/07/13/1019510713.db2.gz DJUOKCNBEBPQNN-NXEZZACHSA-N -1 0 327.833 3.890 20 0 EHADRM O=C([O-])[C@H]1CC[C@@H]1C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000262089885 1019535184 /nfs/dbraw/zinc/53/51/84/1019535184.db2.gz LIOQVWZZHOOBPL-STQMWFEESA-N -1 0 337.803 3.711 20 0 EHADRM C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)[C@@H]3CC[C@@H]3C(=O)[O-])c2)C1 ZINC000262182066 1019557039 /nfs/dbraw/zinc/55/70/39/1019557039.db2.gz RAHRRZZMHBFLIS-RNJTYBCJSA-N -1 0 345.439 3.831 20 0 EHADRM COC(=O)c1[n-]c(=N[C@H](c2ccc(F)cc2F)C(C)C)sc1C ZINC000433774512 1019609056 /nfs/dbraw/zinc/60/90/56/1019609056.db2.gz OSNYDTQJAUYSGJ-ZDUSSCGKSA-N -1 0 340.395 3.747 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)c1F ZINC000513436201 1019666420 /nfs/dbraw/zinc/66/64/20/1019666420.db2.gz BZNTXIJSYUGRLQ-UHFFFAOYSA-N -1 0 349.305 3.675 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000262664364 1019698180 /nfs/dbraw/zinc/69/81/80/1019698180.db2.gz OANPNTXWTNOYJG-JGVFFNPUSA-N -1 0 349.786 3.747 20 0 EHADRM Cc1c(C(=O)N[C@@](C)(CC(=O)[O-])C(C)C)cccc1-c1ccccn1 ZINC000262813498 1019738161 /nfs/dbraw/zinc/73/81/61/1019738161.db2.gz BEJPIYFPKZVJBZ-FQEVSTJZSA-N -1 0 340.423 3.676 20 0 EHADRM C[C@@H]1CN(C(=O)CSc2ccc(C(C)(C)C)cc2)CC[C@@H]1C(=O)[O-] ZINC000262925631 1019768015 /nfs/dbraw/zinc/76/80/15/1019768015.db2.gz JQMLEHWSNVIFEA-CJNGLKHVSA-N -1 0 349.496 3.645 20 0 EHADRM CCC[C@@H](C(=O)N(C)c1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000263023671 1019791735 /nfs/dbraw/zinc/79/17/35/1019791735.db2.gz MIOBKAWHWGFLEU-GOSISDBHSA-N -1 0 341.407 3.697 20 0 EHADRM CCC[C@H](CNC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000263284112 1019861729 /nfs/dbraw/zinc/86/17/29/1019861729.db2.gz ZBTJNWQCDZFAMF-DGCLKSJQSA-N -1 0 345.361 3.501 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(C(=O)[O-])c(C)n2)c1C ZINC000263355804 1019882201 /nfs/dbraw/zinc/88/22/01/1019882201.db2.gz RPRWOSOAMQOLPJ-SFHVURJKSA-N -1 0 338.407 3.682 20 0 EHADRM C[C@H](NC(=O)CCCc1cc(Cl)sc1Cl)[C@H](C)C(=O)[O-] ZINC000263448319 1019905873 /nfs/dbraw/zinc/90/58/73/1019905873.db2.gz NQBCFWOMEYZGGA-YUMQZZPRSA-N -1 0 338.256 3.603 20 0 EHADRM Cc1cccc(CSc2n[n-]c(=NCc3ccc(F)cc3)s2)n1 ZINC000345361262 1020183468 /nfs/dbraw/zinc/18/34/68/1020183468.db2.gz DLQSWUXUCFGEQH-UHFFFAOYSA-N -1 0 346.456 3.707 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2cc3c(s2)CCCC3)c1 ZINC000261800685 1020201458 /nfs/dbraw/zinc/20/14/58/1020201458.db2.gz URQBDAOVVYYUHG-UHFFFAOYSA-N -1 0 329.421 3.896 20 0 EHADRM CC(C)(C)CC(=O)CSc1n[n-]c(=NCc2ccccc2)s1 ZINC000557757725 1020214221 /nfs/dbraw/zinc/21/42/21/1020214221.db2.gz APDREDJAVSTRST-UHFFFAOYSA-N -1 0 335.498 3.670 20 0 EHADRM C/C=C/c1ccc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1 ZINC000580913785 1020228457 /nfs/dbraw/zinc/22/84/57/1020228457.db2.gz KEICIPDUFNITPV-NSCUHMNNSA-N -1 0 345.420 3.538 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000261718877 1020259121 /nfs/dbraw/zinc/25/91/21/1020259121.db2.gz QLLRJPWENHTXMN-RBSFLKMASA-N -1 0 331.412 3.695 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CNC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c2ccccc21 ZINC000684133092 1020346665 /nfs/dbraw/zinc/34/66/65/1020346665.db2.gz IIFBHXVWKIUTRE-PIKADFDJSA-N -1 0 341.451 3.697 20 0 EHADRM CC(C)N(C)c1cccc(N=c2[n-]nc(-c3ccccn3)s2)c1 ZINC000581032063 1020366775 /nfs/dbraw/zinc/36/67/75/1020366775.db2.gz GJPAASKTZSLSNV-UHFFFAOYSA-N -1 0 325.441 3.610 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1ncccc1Br ZINC000345613448 1020385738 /nfs/dbraw/zinc/38/57/38/1020385738.db2.gz ARLNIPNVEUIKJU-UHFFFAOYSA-N -1 0 345.555 3.595 20 0 EHADRM Cc1cc2cc([N-]S(=O)(=O)c3cccc4cccnc43)ccc2[nH]1 ZINC000340849874 1020427674 /nfs/dbraw/zinc/42/76/74/1020427674.db2.gz HOGKQVDQKGLRFU-UHFFFAOYSA-N -1 0 337.404 3.825 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cnn(-c2ccccc2)c1 ZINC000345711863 1020465740 /nfs/dbraw/zinc/46/57/40/1020465740.db2.gz UULCKKDTRRIFTR-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM Cc1nc(N[C@@H](C)c2ncc(C(=O)[O-])s2)nc(C)c1CC(C)C ZINC000581133971 1020465882 /nfs/dbraw/zinc/46/58/82/1020465882.db2.gz IRCVDEFIGKDJGG-NSHDSACASA-N -1 0 334.445 3.620 20 0 EHADRM COC(=O)c1[n-]c(=N[C@@H](C)c2nc(C(C)(C)C)cs2)sc1C ZINC000434100125 1020479674 /nfs/dbraw/zinc/47/96/74/1020479674.db2.gz PRXMFQWQQRULIZ-QMMMGPOBSA-N -1 0 339.486 3.587 20 0 EHADRM C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cn1 ZINC000340967403 1020698398 /nfs/dbraw/zinc/69/83/98/1020698398.db2.gz ALINGDOMOPQOCU-JTQLQIEISA-N -1 0 341.383 3.593 20 0 EHADRM O=C([O-])CC1(CC(=O)NCc2ccc3occc3c2)CCCCC1 ZINC000656485768 1020707845 /nfs/dbraw/zinc/70/78/45/1020707845.db2.gz GKCGBOAOZOVOHJ-UHFFFAOYSA-N -1 0 329.396 3.864 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2OC)cc1F ZINC000676867884 1020798175 /nfs/dbraw/zinc/79/81/75/1020798175.db2.gz DKIYDZGYVSZYRJ-UHFFFAOYSA-N -1 0 343.807 3.851 20 0 EHADRM Cc1ccc(-c2ccc(CN[C@H](Cc3ccco3)C(=O)[O-])o2)cc1 ZINC000426768764 1020817586 /nfs/dbraw/zinc/81/75/86/1020817586.db2.gz BYABBMUVKABPRE-QGZVFWFLSA-N -1 0 325.364 3.634 20 0 EHADRM O=C([O-])c1c(F)cc(Nc2ncccc2Br)cc1F ZINC000706991092 1020899570 /nfs/dbraw/zinc/89/95/70/1020899570.db2.gz JJQALHMOGWNETJ-UHFFFAOYSA-N -1 0 329.100 3.564 20 0 EHADRM C/C=C\c1ccc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)cc1 ZINC000341049168 1020920543 /nfs/dbraw/zinc/92/05/43/1020920543.db2.gz PRXDIWJCULQMOS-WAYWQWQTSA-N -1 0 349.408 3.517 20 0 EHADRM CO[C@@H](CS(=O)(=O)[N-]c1ccccc1C(C)(F)F)C1CCCC1 ZINC000656632600 1021066276 /nfs/dbraw/zinc/06/62/76/1021066276.db2.gz YCVBNATZMNVWCK-HNNXBMFYSA-N -1 0 347.427 3.745 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)C[C@H](c1ccccc1)C(F)(F)F)C(=O)[O-] ZINC000581550708 1021080324 /nfs/dbraw/zinc/08/03/24/1021080324.db2.gz LSLVOSOWXKYJNP-IACUBPJLSA-N -1 0 345.361 3.728 20 0 EHADRM CC[C@H]1CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])CCO1 ZINC000436765499 1021214295 /nfs/dbraw/zinc/21/42/95/1021214295.db2.gz PLUHJVFQHVLLCU-HNNXBMFYSA-N -1 0 345.826 3.964 20 0 EHADRM Cc1sc([N-]S(=O)(=O)c2c(F)cccc2F)nc1C(C)C ZINC000656740314 1021236817 /nfs/dbraw/zinc/23/68/17/1021236817.db2.gz KAJTVFIULBRFLH-UHFFFAOYSA-N -1 0 332.397 3.654 20 0 EHADRM CC[C@H]1CCCN1C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000439213056 1021249182 /nfs/dbraw/zinc/24/91/82/1021249182.db2.gz HMEJYIGPAHHFOF-HNNXBMFYSA-N -1 0 327.428 3.716 20 0 EHADRM Cc1cn(C2CCCCC2)[nH]c1=NC(=O)c1ccc(Cl)cc1[O-] ZINC000436829104 1021259601 /nfs/dbraw/zinc/25/96/01/1021259601.db2.gz AJMCKGUORCPGRW-UHFFFAOYSA-N -1 0 333.819 3.730 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2nc3ccccc3s2)c1 ZINC000436836756 1021268889 /nfs/dbraw/zinc/26/88/89/1021268889.db2.gz MXTFEIYYHAZRTQ-UHFFFAOYSA-N -1 0 326.377 3.847 20 0 EHADRM CC(C)[C@H]1CN(C(=O)c2c([O-])cc(Cl)cc2Cl)CCCO1 ZINC000436821085 1021272985 /nfs/dbraw/zinc/27/29/85/1021272985.db2.gz OCAYKLKDLMNMCD-CYBMUJFWSA-N -1 0 332.227 3.586 20 0 EHADRM CC(C)N(C(=O)c1cc(Cl)c2ccccc2c1[O-])[C@@H]1CCOC1 ZINC000436828063 1021280395 /nfs/dbraw/zinc/28/03/95/1021280395.db2.gz GQGNNQFPTCWEHA-GFCCVEGCSA-N -1 0 333.815 3.838 20 0 EHADRM CS[C@@H](C)CC(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000342463950 1021289646 /nfs/dbraw/zinc/28/96/46/1021289646.db2.gz VVYBSCLNEFMXBX-LURJTMIESA-N -1 0 338.654 3.888 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCC(c2ncccc2Cl)CC1 ZINC000436846605 1021291172 /nfs/dbraw/zinc/29/11/72/1021291172.db2.gz CDPJJFZTTGUIFL-UHFFFAOYSA-N -1 0 334.778 3.600 20 0 EHADRM O=C([O-])[C@@H]1CC[N@H+](Cc2ncccc2C(F)(F)F)[C@H]2CCCC[C@H]12 ZINC000656764880 1021296621 /nfs/dbraw/zinc/29/66/21/1021296621.db2.gz LMRXBTSHLUDJQZ-JMSVASOKSA-N -1 0 342.361 3.566 20 0 EHADRM O=C([O-])c1cccc(Cl)c1CN1CCOC[C@H]1c1cccc(F)c1 ZINC000656766046 1021302345 /nfs/dbraw/zinc/30/23/45/1021302345.db2.gz QZPONRLUVSFOCY-KRWDZBQOSA-N -1 0 349.789 3.751 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)c1 ZINC000436868721 1021307510 /nfs/dbraw/zinc/30/75/10/1021307510.db2.gz IIMOKIWZGPLROX-OCCSQVGLSA-N -1 0 331.318 3.615 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)C(C)(C)Oc2ccc(F)cc2)c1 ZINC000436873053 1021313075 /nfs/dbraw/zinc/31/30/75/1021313075.db2.gz RDLHENFRDBATCZ-UHFFFAOYSA-N -1 0 331.343 3.530 20 0 EHADRM O=C([N-]c1nc(-c2ccccc2)ns1)c1c(F)cc(F)cc1F ZINC000151359679 1021325455 /nfs/dbraw/zinc/32/54/55/1021325455.db2.gz IIRUSRYTDYILOS-UHFFFAOYSA-N -1 0 335.310 3.875 20 0 EHADRM CC(C)COc1ccc(NC(=O)c2cc(F)c([O-])c(Cl)c2)cn1 ZINC000436895822 1021359002 /nfs/dbraw/zinc/35/90/02/1021359002.db2.gz KCUMKTBLMCOFER-UHFFFAOYSA-N -1 0 338.766 3.867 20 0 EHADRM COc1ccc(OCc2noc(-c3ccc(Cl)cc3[O-])n2)cc1 ZINC000436896716 1021360998 /nfs/dbraw/zinc/36/09/98/1021360998.db2.gz ZTSPLYYUAPLOPW-UHFFFAOYSA-N -1 0 332.743 3.683 20 0 EHADRM O=C(Nc1ccccc1O)c1cc(Cl)cc(Br)c1[O-] ZINC000436919391 1021377573 /nfs/dbraw/zinc/37/75/73/1021377573.db2.gz CCCFNICIKVPBJH-UHFFFAOYSA-N -1 0 342.576 3.766 20 0 EHADRM O=C(N[C@H]1CC[C@@H](c2cccc(F)c2)C1)c1cc(F)c([O-])c(F)c1 ZINC000436922626 1021378455 /nfs/dbraw/zinc/37/84/55/1021378455.db2.gz OVVCJVSEEGAVRV-RISCZKNCSA-N -1 0 335.325 3.876 20 0 EHADRM Cc1ccc(-c2n[n-]c(=NC(=O)c3ccc(O)c(C)c3)s2)c(C)c1 ZINC000436923679 1021382963 /nfs/dbraw/zinc/38/29/63/1021382963.db2.gz DNINJCKYSCQGOX-UHFFFAOYSA-N -1 0 339.420 3.510 20 0 EHADRM Cc1cc(-c2noc(-c3ccc(Cl)cc3[O-])n2)cc2[nH]cnc21 ZINC000436928817 1021388805 /nfs/dbraw/zinc/38/88/05/1021388805.db2.gz CIRLTORJYWGMGP-UHFFFAOYSA-N -1 0 326.743 3.947 20 0 EHADRM Cn1nccc1Cc1noc(-c2cc(Cl)c3ccccc3c2[O-])n1 ZINC000436935213 1021397625 /nfs/dbraw/zinc/39/76/25/1021397625.db2.gz NZVPNGDGTFNATA-UHFFFAOYSA-N -1 0 340.770 3.573 20 0 EHADRM C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436961529 1021409341 /nfs/dbraw/zinc/40/93/41/1021409341.db2.gz HQOJVBKXDWVSQX-HWPZZCPQSA-N -1 0 349.789 3.649 20 0 EHADRM CCCCn1ncc(NC(=O)c2cc(F)c([O-])c(Cl)c2)c1C ZINC000436971186 1021425592 /nfs/dbraw/zinc/42/55/92/1021425592.db2.gz IPPDHIXOBUZIIX-UHFFFAOYSA-N -1 0 325.771 3.742 20 0 EHADRM Cc1cc(C)cc(C2(C(=O)[N-]S(=O)(=O)Cc3ccccc3)CC2)c1 ZINC000048597508 1021434894 /nfs/dbraw/zinc/43/48/94/1021434894.db2.gz SAUOBCDHZDBTOY-UHFFFAOYSA-N -1 0 343.448 3.822 20 0 EHADRM COCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)c1 ZINC000506583645 1021447902 /nfs/dbraw/zinc/44/79/02/1021447902.db2.gz KDTSUHJHZVCVBU-UHFFFAOYSA-N -1 0 349.452 3.766 20 0 EHADRM CCCc1nc(C)c(C(=O)N[C@@H](CC(=O)[O-])C2CCCCC2)s1 ZINC000345990993 1021482752 /nfs/dbraw/zinc/48/27/52/1021482752.db2.gz ZJCYGKCZLIAPJY-ZDUSSCGKSA-N -1 0 338.473 3.557 20 0 EHADRM CCCn1nccc1[N-]S(=O)(=O)c1cccc(-c2ccccc2)c1 ZINC000506609790 1021539485 /nfs/dbraw/zinc/53/94/85/1021539485.db2.gz DMXRINMJAHBHOQ-UHFFFAOYSA-N -1 0 341.436 3.761 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2nnc(C(C)C)s2)cc1 ZINC000437172591 1021610852 /nfs/dbraw/zinc/61/08/52/1021610852.db2.gz PIOHTFNIXZIZQU-NSHDSACASA-N -1 0 339.486 3.976 20 0 EHADRM Cc1cc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)cc(C)c1F ZINC000669434163 1021620934 /nfs/dbraw/zinc/62/09/34/1021620934.db2.gz LPUAATNAPFSXHK-OAHLLOKOSA-N -1 0 327.355 3.661 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)NC[C@H](Cc1ccccc1)c1ccccc1 ZINC000516663481 1021623351 /nfs/dbraw/zinc/62/33/51/1021623351.db2.gz QKBZGLJJIXHRRD-APWZRJJASA-N -1 0 339.435 3.630 20 0 EHADRM CCCCc1nnc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)s1 ZINC000437180333 1021627266 /nfs/dbraw/zinc/62/72/66/1021627266.db2.gz CVUPJKFYKYCJIK-UHFFFAOYSA-N -1 0 339.486 3.805 20 0 EHADRM COc1ccc(CCCCCC(=O)N[C@@H]2CCC[C@@]2(C)C(=O)[O-])cc1 ZINC000659237257 1021629173 /nfs/dbraw/zinc/62/91/73/1021629173.db2.gz JMSHWTZAIPZQKX-YLJYHZDGSA-N -1 0 347.455 3.558 20 0 EHADRM O=C(N=c1cccn[n-]1)c1cc(Cl)ccc1Oc1ccc(F)cc1 ZINC000605467937 1021637336 /nfs/dbraw/zinc/63/73/36/1021637336.db2.gz LZHQHBNIQGDBNQ-UHFFFAOYSA-N -1 0 343.745 3.736 20 0 EHADRM CCc1nnc([N-]S(=O)(=O)c2ccc(C(C)(C)CC)cc2)s1 ZINC000437202729 1021639343 /nfs/dbraw/zinc/63/93/43/1021639343.db2.gz XJSDFXUEOCMRMP-UHFFFAOYSA-N -1 0 339.486 3.589 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000439700631 1021659679 /nfs/dbraw/zinc/65/96/79/1021659679.db2.gz YPHGZSASLXNLAJ-CYBMUJFWSA-N -1 0 337.375 3.859 20 0 EHADRM COCCc1nc(=N[C@@H]2CC(C)(C)CCc3ccccc32)s[n-]1 ZINC000440658322 1021706248 /nfs/dbraw/zinc/70/62/48/1021706248.db2.gz ZFNWMSKRZNISQL-OAHLLOKOSA-N -1 0 331.485 3.665 20 0 EHADRM CCCOc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccsc1 ZINC000506687622 1021731485 /nfs/dbraw/zinc/73/14/85/1021731485.db2.gz DTXAZLFIOKKCAM-UHFFFAOYSA-N -1 0 331.846 3.991 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N2CCC(F)(F)C[C@@H]2C)s1 ZINC000528878921 1032999365 /nfs/dbraw/zinc/99/93/65/1032999365.db2.gz GXLYPVVTWQRSCH-VIFPVBQESA-N -1 0 332.420 3.515 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cnc3ccccc3c2)c(F)cc1F ZINC000439889274 1021788090 /nfs/dbraw/zinc/78/80/90/1021788090.db2.gz UUWURXMBDBQTPC-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM CCSc1ccc(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1 ZINC000439908138 1021805581 /nfs/dbraw/zinc/80/55/81/1021805581.db2.gz GUPCGGDSIAMNNW-QGZVFWFLSA-N -1 0 341.432 3.623 20 0 EHADRM CCSc1ccc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000439926206 1021832831 /nfs/dbraw/zinc/83/28/31/1021832831.db2.gz VZAGYPCKGWBXNP-GUYCJALGSA-N -1 0 343.448 3.990 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)c(C)cc1Cl ZINC000684427695 1021841448 /nfs/dbraw/zinc/84/14/48/1021841448.db2.gz LGXFQXAJRAMEPR-UHFFFAOYSA-N -1 0 343.770 3.552 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)N[C@H](CC(=O)[O-])c1ccccc1C ZINC000439932905 1021842330 /nfs/dbraw/zinc/84/23/30/1021842330.db2.gz XYHPHVQZHMSALV-MRXNPFEDSA-N -1 0 331.799 3.903 20 0 EHADRM CC(C)(CC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1)C1CCCCC1 ZINC000684427504 1021849197 /nfs/dbraw/zinc/84/91/97/1021849197.db2.gz HTIFRGLCCMFBDF-UHFFFAOYSA-N -1 0 343.427 3.965 20 0 EHADRM CCCc1nc(=NCc2ccc(-c3csc(C)n3)cc2)s[n-]1 ZINC000516943928 1021862252 /nfs/dbraw/zinc/86/22/52/1021862252.db2.gz MUYAVQPKUUCMLH-UHFFFAOYSA-N -1 0 330.482 3.957 20 0 EHADRM CCC(CC)CS(=O)(=O)Nc1ccc(C[C@H](CC)C(=O)[O-])cc1 ZINC000548260254 1021934445 /nfs/dbraw/zinc/93/44/45/1021934445.db2.gz VHEDMLLNQIQEMQ-HNNXBMFYSA-N -1 0 341.473 3.518 20 0 EHADRM O=C([N-]c1nnc(-c2ccco2)s1)c1scnc1C(F)(F)F ZINC000341457914 1021947820 /nfs/dbraw/zinc/94/78/20/1021947820.db2.gz IFSXEOHMAHMKET-UHFFFAOYSA-N -1 0 346.315 3.526 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)CCCc1csc2ccccc12)CC1CC1 ZINC000517035495 1021961619 /nfs/dbraw/zinc/96/16/19/1021961619.db2.gz KVBXPWYFWANSJB-OAHLLOKOSA-N -1 0 345.464 3.841 20 0 EHADRM CSc1ccc(N(C)C(=O)N=c2nc(C(C)(C)C)[n-]s2)cc1 ZINC000517038630 1021967195 /nfs/dbraw/zinc/96/71/95/1021967195.db2.gz INWCUVZKCYVLAX-UHFFFAOYSA-N -1 0 336.486 3.648 20 0 EHADRM COC[C@@H](C)Nc1ccccc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000437589147 1021980606 /nfs/dbraw/zinc/98/06/06/1021980606.db2.gz JMJUHDOLYUZOLR-LLVKDONJSA-N -1 0 334.803 3.745 20 0 EHADRM CCCOc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2OC)cc1 ZINC000506796844 1022020837 /nfs/dbraw/zinc/02/08/37/1022020837.db2.gz OMUIEPCSJKCDHN-UHFFFAOYSA-N -1 0 335.425 3.593 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccco2)ccc1Oc1cccnc1 ZINC000437664756 1022027499 /nfs/dbraw/zinc/02/74/99/1022027499.db2.gz FKRYJXVKLFBCLM-UHFFFAOYSA-N -1 0 330.365 3.576 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])CCC1=O ZINC000276657668 1022054775 /nfs/dbraw/zinc/05/47/75/1022054775.db2.gz SSBPADXFHQTVNP-LBPRGKRZSA-N -1 0 343.810 3.764 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2cc(C)c(F)cc2F)c1 ZINC000440290753 1022068493 /nfs/dbraw/zinc/06/84/93/1022068493.db2.gz MHOWSSPEGQBHRL-UHFFFAOYSA-N -1 0 329.393 3.796 20 0 EHADRM Cc1cnc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)s1 ZINC000506830137 1022126548 /nfs/dbraw/zinc/12/65/48/1022126548.db2.gz JTLQAYYPRKPQPL-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM Cc1ccc(C(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)cc1 ZINC000520321023 1022141095 /nfs/dbraw/zinc/14/10/95/1022141095.db2.gz YHGQHXKLOZJUKX-UHFFFAOYSA-N -1 0 329.812 3.841 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N[C@H]3CCC[C@@]3(C)C(=O)[O-])s2)o1 ZINC000659239344 1022154805 /nfs/dbraw/zinc/15/48/05/1022154805.db2.gz LAFPQMUUOFVQCV-WMLDXEAASA-N -1 0 333.409 3.690 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cnc3ccccc3c2)cc1C ZINC000517248054 1022164930 /nfs/dbraw/zinc/16/49/30/1022164930.db2.gz BTETZQAEINJDFJ-GFCCVEGCSA-N -1 0 344.440 3.512 20 0 EHADRM O=S(=O)(NC(C1CC1)C1CC1)c1ccc(Cl)c(F)c1Cl ZINC000473899657 1022206799 /nfs/dbraw/zinc/20/67/99/1022206799.db2.gz AXIZHBQJRPTVMP-UHFFFAOYSA-N -1 0 338.231 3.599 20 0 EHADRM CC(C)Oc1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c(F)c1 ZINC000909406396 1022214495 /nfs/dbraw/zinc/21/44/95/1022214495.db2.gz MRQTZVOXKHTQLJ-UHFFFAOYSA-N -1 0 349.402 3.977 20 0 EHADRM Cc1ccc(-c2nc(CN=c3[n-]ncn3-c3ccccc3)cs2)cc1 ZINC000548325819 1022294629 /nfs/dbraw/zinc/29/46/29/1022294629.db2.gz USVOWTTYSRAYSU-UHFFFAOYSA-N -1 0 347.447 3.733 20 0 EHADRM Cc1cnccc1NC(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000084389979 1022304929 /nfs/dbraw/zinc/30/49/29/1022304929.db2.gz BXNXGFQOKWPKDN-UHFFFAOYSA-N -1 0 341.592 3.764 20 0 EHADRM CCOc1cc(NC(=O)c2ccccc2CCC(=O)[O-])ccc1C ZINC000909406632 1022349340 /nfs/dbraw/zinc/34/93/40/1022349340.db2.gz GPCPAJXXMCCYBT-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1C(=O)[O-] ZINC000110987681 1022400261 /nfs/dbraw/zinc/40/02/61/1022400261.db2.gz DSPVSBORUYBSKB-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C[C@@H]1C(=O)[O-] ZINC000517567777 1022464306 /nfs/dbraw/zinc/46/43/06/1022464306.db2.gz RASVZKIWZZGAIX-AAEUAGOBSA-N -1 0 347.798 3.783 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)nc1 ZINC000476214799 1033057212 /nfs/dbraw/zinc/05/72/12/1033057212.db2.gz CRWOJFFSOHZVLF-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)C[C@@H]3CC3(C)C)n2)cc1 ZINC001167973592 1022488534 /nfs/dbraw/zinc/48/85/34/1022488534.db2.gz UOPSFPZVSRRXOC-HNNXBMFYSA-N -1 0 341.455 3.819 20 0 EHADRM Cc1ccc(-c2ccc(C)c(NC(=O)NCCCCC(=O)[O-])c2)o1 ZINC000669505327 1033060829 /nfs/dbraw/zinc/06/08/29/1033060829.db2.gz WRTUALSINVJJDY-UHFFFAOYSA-N -1 0 330.384 3.940 20 0 EHADRM Cc1nc(CC(C)C)sc1C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000330710068 1022657342 /nfs/dbraw/zinc/65/73/42/1022657342.db2.gz OTYAHKVJNHQHLC-ZDUSSCGKSA-N -1 0 338.473 3.510 20 0 EHADRM Cc1cc(S(=O)(=O)[N-][C@](C)(C2CC2)C(F)(F)F)sc1Cl ZINC000473759480 1022675073 /nfs/dbraw/zinc/67/50/73/1022675073.db2.gz CYFUDUNMXMHQEZ-SNVBAGLBSA-N -1 0 347.811 3.719 20 0 EHADRM O=C(Nc1nnc(-c2ccccc2)s1)c1cc(O)ccc1Cl ZINC000517785205 1022680515 /nfs/dbraw/zinc/68/05/15/1022680515.db2.gz VNIXBCVVOHOAAY-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM CCn1nc(C)c(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)c1C ZINC000330903944 1022707263 /nfs/dbraw/zinc/70/72/63/1022707263.db2.gz LTPHQQSPPGKNLH-UHFFFAOYSA-N -1 0 348.255 3.627 20 0 EHADRM CCc1nc(C)c([N-]S(=O)(=O)c2ccc(Cl)cc2C)s1 ZINC000331121871 1022748986 /nfs/dbraw/zinc/74/89/86/1022748986.db2.gz OZUGGDAWUNFNFM-UHFFFAOYSA-N -1 0 330.862 3.777 20 0 EHADRM CC(=C([O-])c1cc(F)ccc1F)S(=O)(=O)c1ccccc1Cl ZINC000428021071 1022774597 /nfs/dbraw/zinc/77/45/97/1022774597.db2.gz DWXSVCFOKOOYNI-SECBINFHSA-N -1 0 344.766 3.663 20 0 EHADRM Cc1nc(C)c(CCC(=O)N2CC[C@H](CC(C)(C)C)C2(C)C)c(=O)[nH]1 ZINC000331360148 1022799958 /nfs/dbraw/zinc/79/99/58/1022799958.db2.gz XLUYJJKUQXHIEK-OAHLLOKOSA-N -1 0 347.503 3.795 20 0 EHADRM Cc1noc(C)c1S(=O)(=O)[N-]c1cc(Cl)c(C)c(Cl)c1 ZINC000341653179 1022825453 /nfs/dbraw/zinc/82/54/53/1022825453.db2.gz DIULCAZSPBQBEW-UHFFFAOYSA-N -1 0 335.212 3.707 20 0 EHADRM CC(C)[C@H](CC(F)(F)F)NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000438622325 1022870208 /nfs/dbraw/zinc/87/02/08/1022870208.db2.gz KPGPFOIXKBLNQQ-QMMMGPOBSA-N -1 0 329.240 3.516 20 0 EHADRM O=C([O-])CN(C(=O)Cc1cc2c(ccc3ccccc23)o1)C1CCC1 ZINC000655588936 1022905543 /nfs/dbraw/zinc/90/55/43/1022905543.db2.gz RNFCLBVEWIWSBE-UHFFFAOYSA-N -1 0 337.375 3.594 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCc2ncsc2C1 ZINC000438676709 1022919468 /nfs/dbraw/zinc/91/94/68/1022919468.db2.gz CFDSINXEWWYSPR-UHFFFAOYSA-N -1 0 344.823 3.854 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000346013563 1022928169 /nfs/dbraw/zinc/92/81/69/1022928169.db2.gz JEMCSJIEBIPLHU-UHFFFAOYSA-N -1 0 343.210 3.658 20 0 EHADRM COc1ccc(-c2csc(NC3CCCCC3)n2)c2occ([O-])c21 ZINC000518021267 1022934709 /nfs/dbraw/zinc/93/47/09/1022934709.db2.gz KXMCBPXHADSFNY-UHFFFAOYSA-N -1 0 344.436 3.560 20 0 EHADRM CC(C)(C)C1=CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])CC1 ZINC000536351302 1022970560 /nfs/dbraw/zinc/97/05/60/1022970560.db2.gz XZVKRRKEQMLHPR-UHFFFAOYSA-N -1 0 343.402 3.535 20 0 EHADRM O=C([O-])[C@@H](C[NH2+]Cc1c(F)cccc1F)Cc1ccc(Cl)cc1 ZINC000426689180 1022977067 /nfs/dbraw/zinc/97/70/67/1022977067.db2.gz YGWYYTAKSCJGOD-GFCCVEGCSA-N -1 0 339.769 3.651 20 0 EHADRM Cc1nc(CNCc2ccc(C(F)(F)F)cc2C)sc1C(=O)[O-] ZINC000426714104 1022978680 /nfs/dbraw/zinc/97/86/80/1022978680.db2.gz KZVNJCVIBMPLLP-UHFFFAOYSA-N -1 0 344.358 3.767 20 0 EHADRM Cc1nc(CNCc2cc(C(F)(F)F)ccc2F)sc1C(=O)[O-] ZINC000426694037 1022980014 /nfs/dbraw/zinc/98/00/14/1022980014.db2.gz AVIUVTIMHKMUNS-UHFFFAOYSA-N -1 0 348.321 3.597 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2coc3cc(C)ccc23)s1 ZINC000048527656 1022985051 /nfs/dbraw/zinc/98/50/51/1022985051.db2.gz NJJQJFPDXJFICU-UHFFFAOYSA-N -1 0 349.433 3.999 20 0 EHADRM CCCOc1cccc(CN[C@@H](C(=O)[O-])c2c(F)cccc2F)c1 ZINC000426732767 1023001945 /nfs/dbraw/zinc/00/19/45/1023001945.db2.gz JTGPRPPTZULNJB-QGZVFWFLSA-N -1 0 335.350 3.669 20 0 EHADRM CC(C)(C)c1ccc(CNC(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC000537473358 1033094478 /nfs/dbraw/zinc/09/44/78/1033094478.db2.gz MFYUFVJQOVCALV-UHFFFAOYSA-N -1 0 325.408 3.541 20 0 EHADRM O=C(N=c1nc(-c2ccccc2Cl)[n-]s1)N[C@@H]1CC12CCCC2 ZINC000429604410 1023030793 /nfs/dbraw/zinc/03/07/93/1023030793.db2.gz XHLRSVFGPZYZIH-GFCCVEGCSA-N -1 0 348.859 3.735 20 0 EHADRM COc1ccccc1[C@H](NCc1ccc(-c2ccccc2)o1)C(=O)[O-] ZINC000426771809 1023034486 /nfs/dbraw/zinc/03/44/86/1023034486.db2.gz AXICUIUUSMOCIB-IBGZPJMESA-N -1 0 337.375 3.871 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])[NH2+]Cc2ccc3ncccc3c2)c1 ZINC000426772859 1023034641 /nfs/dbraw/zinc/03/46/41/1023034641.db2.gz LWSWWEBACSVWMD-LJQANCHMSA-N -1 0 336.391 3.549 20 0 EHADRM C[C@@H](c1ccsc1)N1CCN(Cc2c(F)ccc(O)c2F)CC1 ZINC000438824159 1023041178 /nfs/dbraw/zinc/04/11/78/1023041178.db2.gz BJTAHQFWGMLATL-LBPRGKRZSA-N -1 0 338.423 3.611 20 0 EHADRM C[C@@H]1CCc2nc(CN[C@H](CC(=O)[O-])c3ccc(F)cc3)sc2C1 ZINC000426766874 1023044127 /nfs/dbraw/zinc/04/41/27/1023044127.db2.gz HSTDBBIATSKXDT-IAQYHMDHSA-N -1 0 348.443 3.713 20 0 EHADRM Cc1ccc(-c2ncc(CN[C@@H](C(=O)[O-])c3ccccc3F)s2)o1 ZINC000426767283 1023045029 /nfs/dbraw/zinc/04/50/29/1023045029.db2.gz LPKCRVIIEYXHAC-OAHLLOKOSA-N -1 0 346.383 3.766 20 0 EHADRM CCCOc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC000507001991 1023059127 /nfs/dbraw/zinc/05/91/27/1023059127.db2.gz NUDKRQKZIIPYMK-UHFFFAOYSA-N -1 0 327.352 3.554 20 0 EHADRM CC(C)(C)c1ccc(O)c([N-]S(=O)(=O)c2cncc(Cl)c2)c1 ZINC000507014180 1023077516 /nfs/dbraw/zinc/07/75/16/1023077516.db2.gz VJBVKGQAMNNVQA-UHFFFAOYSA-N -1 0 340.832 3.539 20 0 EHADRM COc1ccc(F)cc1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000507020173 1023079461 /nfs/dbraw/zinc/07/94/61/1023079461.db2.gz GFYZISXOSMTBJI-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CC(C)(C(=O)[N-]OCCC(F)(F)F)c1ccc(Cl)cc1F ZINC000276825846 1023080435 /nfs/dbraw/zinc/08/04/35/1023080435.db2.gz FAMJEHYTUCXVSG-UHFFFAOYSA-N -1 0 327.705 3.757 20 0 EHADRM O=C(Nc1ccc(F)c(F)c1F)c1ncsc1C(F)(F)F ZINC000431013211 1023117556 /nfs/dbraw/zinc/11/75/56/1023117556.db2.gz HUAIMUZSDSFROL-UHFFFAOYSA-N -1 0 326.221 3.832 20 0 EHADRM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000507086844 1023125355 /nfs/dbraw/zinc/12/53/55/1023125355.db2.gz OSCSTCUOADFPBC-XIGBOZDYSA-N -1 0 336.602 3.716 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC[C@H]2CC(C)C)n1 ZINC000438933868 1023151568 /nfs/dbraw/zinc/15/15/68/1023151568.db2.gz GKPNPSBKSXSIRV-INIZCTEOSA-N -1 0 341.455 3.791 20 0 EHADRM CC(C)c1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)n[nH]1 ZINC000439003264 1023201758 /nfs/dbraw/zinc/20/17/58/1023201758.db2.gz HMJWXBKVGJTSDC-UHFFFAOYSA-N -1 0 327.475 3.693 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000346023091 1023211676 /nfs/dbraw/zinc/21/16/76/1023211676.db2.gz YKHWEEHWULHEQD-QMMMGPOBSA-N -1 0 343.210 3.800 20 0 EHADRM CCc1n[n-]c(=NC(=O)N(C2CC2)[C@H]2CCCc3ccccc32)s1 ZINC000431077335 1023227877 /nfs/dbraw/zinc/22/78/77/1023227877.db2.gz NVHGXDNGBHZKTR-HNNXBMFYSA-N -1 0 342.468 3.596 20 0 EHADRM CC(C)CCN(C(=O)N=c1ccc(C(F)(F)F)n[n-]1)C1CCCC1 ZINC000471926929 1023258853 /nfs/dbraw/zinc/25/88/53/1023258853.db2.gz JQWGPPVECWQBCK-UHFFFAOYSA-N -1 0 344.381 3.740 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC[C@H]3C(C)C)n2)cc1 ZINC000439089510 1023263961 /nfs/dbraw/zinc/26/39/61/1023263961.db2.gz VIUYRJQNMUBQQI-KRWDZBQOSA-N -1 0 341.455 3.962 20 0 EHADRM C[C@H](Sc1ccccc1)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000346024935 1023280589 /nfs/dbraw/zinc/28/05/89/1023280589.db2.gz JTTSGRQBPFMGTD-YOEHRIQHSA-N -1 0 343.448 3.890 20 0 EHADRM Cc1ccc(-c2cccnc2)cc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000684559488 1023333573 /nfs/dbraw/zinc/33/35/73/1023333573.db2.gz XKBVCVAAWDOFKE-SJORKVTESA-N -1 0 336.391 3.663 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)s1 ZINC000431158159 1023361365 /nfs/dbraw/zinc/36/13/65/1023361365.db2.gz AEDJUZJWAOQEHP-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM CC(C)Oc1ccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)cc1 ZINC000471940521 1023367598 /nfs/dbraw/zinc/36/75/98/1023367598.db2.gz OSOFZYQFSBZLNW-UHFFFAOYSA-N -1 0 348.399 3.895 20 0 EHADRM Cc1sc(/C=C/c2ccccc2-c2ccnn2C)nc1C(=O)[O-] ZINC000431173358 1023379478 /nfs/dbraw/zinc/37/94/78/1023379478.db2.gz QOEZDKGLNYLSTA-BQYQJAHWSA-N -1 0 325.393 3.721 20 0 EHADRM Cc1c(CN=c2nc(C(F)(F)F)[n-]s2)oc2ccc(F)cc12 ZINC000341840726 1023433232 /nfs/dbraw/zinc/43/32/32/1023433232.db2.gz IPXTXESKPFDOLG-UHFFFAOYSA-N -1 0 331.294 3.785 20 0 EHADRM CC(C)c1csc(NC(=O)c2ccc(Br)c([O-])c2)n1 ZINC000132948794 1023463026 /nfs/dbraw/zinc/46/30/26/1023463026.db2.gz ITYZITZMGQFQSA-UHFFFAOYSA-N -1 0 341.230 3.987 20 0 EHADRM C[C@@H](CC(=O)NCc1ccc(C(=O)[O-])cc1)Cc1ccc(Cl)cc1 ZINC000431216162 1023529032 /nfs/dbraw/zinc/52/90/32/1023529032.db2.gz MEJDJGQLFFSRRN-CYBMUJFWSA-N -1 0 345.826 3.923 20 0 EHADRM COCCOc1cccc(CCC(=O)Nc2cccc(Cl)c2[O-])c1 ZINC000476340502 1033144219 /nfs/dbraw/zinc/14/42/19/1033144219.db2.gz SROJRUCRJMGRLJ-UHFFFAOYSA-N -1 0 349.814 3.642 20 0 EHADRM CCn1cc(S(=O)(=O)[N-]c2ccccc2CCC(C)C)nc1C ZINC000535765771 1023614243 /nfs/dbraw/zinc/61/42/43/1023614243.db2.gz PSKBNBBVMOIORY-UHFFFAOYSA-N -1 0 335.473 3.601 20 0 EHADRM CCCCCN(C(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C(C)C ZINC000180960601 1023666056 /nfs/dbraw/zinc/66/60/56/1023666056.db2.gz YSMCPTPXBVWBPF-UHFFFAOYSA-N -1 0 333.407 3.758 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)cn1 ZINC000598379310 1033153874 /nfs/dbraw/zinc/15/38/74/1033153874.db2.gz PTGGBPHABRWCTQ-UHFFFAOYSA-N -1 0 340.404 3.983 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2Cl)sn1 ZINC000634791786 1023779011 /nfs/dbraw/zinc/77/90/11/1023779011.db2.gz OJOWPNQMJBLZRW-UHFFFAOYSA-N -1 0 346.861 3.693 20 0 EHADRM O=C(NCc1cc(-c2ccccc2)on1)c1ccc([O-])c(Cl)c1 ZINC000171272545 1033162094 /nfs/dbraw/zinc/16/20/94/1033162094.db2.gz XUZISADQIVLZDU-UHFFFAOYSA-N -1 0 328.755 3.631 20 0 EHADRM Cc1cccc([C@H](NCc2cnc(C(C)(C)C)s2)C(=O)[O-])c1C ZINC000277133764 1023812935 /nfs/dbraw/zinc/81/29/35/1023812935.db2.gz BRGUDNDTYHIQRF-HNNXBMFYSA-N -1 0 332.469 3.973 20 0 EHADRM CC(C)(C)c1nc(C(=O)N=c2nc(-c3ccccc3)[n-]s2)cs1 ZINC000522570293 1024080672 /nfs/dbraw/zinc/08/06/72/1024080672.db2.gz KJJIBUUPIMLURD-UHFFFAOYSA-N -1 0 344.465 3.633 20 0 EHADRM CCOc1cc(CC(=O)[O-])c(-c2ccc(C(C)=O)cc2)cc1OCC ZINC000657204658 1024097534 /nfs/dbraw/zinc/09/75/34/1024097534.db2.gz BBRGNCQSXCBJJZ-UHFFFAOYSA-N -1 0 342.391 3.981 20 0 EHADRM CCC(CC)n1ccc(C(=O)N=c2[nH][n-]c(-c3ccc(C)o3)c2C)n1 ZINC000434501241 1024102907 /nfs/dbraw/zinc/10/29/07/1024102907.db2.gz VYITXZPTMCLMIM-UHFFFAOYSA-N -1 0 341.415 3.518 20 0 EHADRM COc1ccc(-c2cncc(C(F)(F)F)c2)cc1C1(C(=O)[O-])CC1 ZINC000657206314 1024128697 /nfs/dbraw/zinc/12/86/97/1024128697.db2.gz GAWVFKUDZUJXSG-UHFFFAOYSA-N -1 0 337.297 3.892 20 0 EHADRM CCCOc1c(OC)cc(C(=O)[O-])cc1-c1ccc(C)cc1CO ZINC000657207496 1024130559 /nfs/dbraw/zinc/13/05/59/1024130559.db2.gz RVFDKNCRWDCOEW-UHFFFAOYSA-N -1 0 330.380 3.650 20 0 EHADRM CCOc1cc(CNc2ccc(C[C@H](C)C(=O)[O-])cc2)ccc1OC ZINC000417615434 1024161912 /nfs/dbraw/zinc/16/19/12/1024161912.db2.gz XNGHUIAYZDDKED-AWEZNQCLSA-N -1 0 343.423 3.969 20 0 EHADRM CCCc1nc(=NC(=O)c2csc(-c3ccccc3C)n2)s[n-]1 ZINC000545965441 1024212290 /nfs/dbraw/zinc/21/22/90/1024212290.db2.gz RMDVSIGABXCFQA-UHFFFAOYSA-N -1 0 344.465 3.597 20 0 EHADRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cnc2ccccc2c1 ZINC000434628890 1024228150 /nfs/dbraw/zinc/22/81/50/1024228150.db2.gz FLMRAJXMCLWHPK-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM CC(C)CN=c1[n-]nc(SCc2nccn2-c2ccccc2)s1 ZINC000434642183 1024232116 /nfs/dbraw/zinc/23/21/16/1024232116.db2.gz DXSFORVQJUXCSD-UHFFFAOYSA-N -1 0 345.497 3.506 20 0 EHADRM C[C@H](Sc1ccc(NCc2cccc3c2OCCO3)cc1)C(=O)[O-] ZINC000417643521 1024237999 /nfs/dbraw/zinc/23/79/99/1024237999.db2.gz AMDKKLVOZDNGKQ-LBPRGKRZSA-N -1 0 345.420 3.635 20 0 EHADRM CCCCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(OC)c2)cc1 ZINC000262205244 1024253114 /nfs/dbraw/zinc/25/31/14/1024253114.db2.gz KYERBMDHJCAOBJ-UHFFFAOYSA-N -1 0 343.379 3.825 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@H](c1cccnc1)C(C)C ZINC000909513701 1024259270 /nfs/dbraw/zinc/25/92/70/1024259270.db2.gz SWMDVWPEXCUSEB-KRWDZBQOSA-N -1 0 326.396 3.775 20 0 EHADRM C[C@H](NC(=O)CC1(CC(=O)[O-])CCCCC1)c1c(F)cccc1F ZINC000324174490 1024275041 /nfs/dbraw/zinc/27/50/41/1024275041.db2.gz GFFIYZBHXDAYBE-LBPRGKRZSA-N -1 0 339.382 3.957 20 0 EHADRM C[C@@H](C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)C1CCOCC1 ZINC000192874503 1024286651 /nfs/dbraw/zinc/28/66/51/1024286651.db2.gz IIMBENTXXWOKHV-SNVBAGLBSA-N -1 0 333.409 3.601 20 0 EHADRM Cc1cccc(C)c1CC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000192918387 1024289866 /nfs/dbraw/zinc/28/98/66/1024289866.db2.gz MIPPJNGROCATQP-OAHLLOKOSA-N -1 0 325.408 3.748 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)N(Cc2cccc(F)c2)C2CC2)s[n-]1 ZINC000520630108 1024290613 /nfs/dbraw/zinc/29/06/13/1024290613.db2.gz FRGWVZQXOULGTP-UHFFFAOYSA-N -1 0 348.447 3.593 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2cnc(C(C)(C)C)s2)cc1)C(=O)[O-] ZINC000191399820 1024295987 /nfs/dbraw/zinc/29/59/87/1024295987.db2.gz VTNRFERXCKEEIH-NSHDSACASA-N -1 0 346.452 3.956 20 0 EHADRM Cc1cc(-c2noc(-c3cc(Cl)nc(Cl)c3[O-])n2)cc(C)n1 ZINC001213237163 1024347679 /nfs/dbraw/zinc/34/76/79/1024347679.db2.gz XRJKORPARPJNTQ-UHFFFAOYSA-N -1 0 337.166 3.823 20 0 EHADRM CC1(C)CN(C(=O)c2cc(F)c([O-])c(F)c2)CC[C@@H]1C(F)(F)F ZINC000190708990 1024365078 /nfs/dbraw/zinc/36/50/78/1024365078.db2.gz YUHLZUFDHMCYHH-NSHDSACASA-N -1 0 337.288 3.721 20 0 EHADRM C[C@@H](CNC(=O)C1(Cc2cccc(Cl)c2)CCCC1)CC(=O)[O-] ZINC000262225558 1024405640 /nfs/dbraw/zinc/40/56/40/1024405640.db2.gz NLWZRZSMJMPVKT-CYBMUJFWSA-N -1 0 337.847 3.670 20 0 EHADRM COc1ccc(CN=c2[n-]nc(C[C@@H](C)CC(C)(C)C)o2)cc1OC ZINC000346128080 1024429280 /nfs/dbraw/zinc/42/92/80/1024429280.db2.gz IVWTYSRWNKPEIZ-CYBMUJFWSA-N -1 0 347.459 3.736 20 0 EHADRM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1nc2c(s1)CCCC2 ZINC000389173282 1024467064 /nfs/dbraw/zinc/46/70/64/1024467064.db2.gz ZMDCXROIBAMKAT-UHFFFAOYSA-N -1 0 340.445 3.579 20 0 EHADRM Cc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccc([N+](=O)[O-])cc1 ZINC000001835610 1024552260 /nfs/dbraw/zinc/55/22/60/1024552260.db2.gz PGUIRPLDHFANGW-UHFFFAOYSA-N -1 0 339.380 3.707 20 0 EHADRM CC(C)(C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1Cl ZINC000262235856 1024562310 /nfs/dbraw/zinc/56/23/10/1024562310.db2.gz PPKBCAXVCWZMBV-ZDUSSCGKSA-N -1 0 337.847 3.721 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccccc2F)ccc1-c1ccncc1 ZINC000427636969 1024580543 /nfs/dbraw/zinc/58/05/43/1024580543.db2.gz NAUCGOBGUJOZKH-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1noc2ccc(Cl)cc21 ZINC000427640084 1024609513 /nfs/dbraw/zinc/60/95/13/1024609513.db2.gz UTYHLHPENUUNBR-UHFFFAOYSA-N -1 0 340.763 3.730 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)CC2CC(OC(C)(C)C)C2)cc1)C(=O)[O-] ZINC000909524555 1024648168 /nfs/dbraw/zinc/64/81/68/1024648168.db2.gz SMSYTMZHETYOBV-BZOOQXSSSA-N -1 0 347.455 3.872 20 0 EHADRM Cc1cccc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1Cl ZINC000190851054 1024658099 /nfs/dbraw/zinc/65/80/99/1024658099.db2.gz ARWRPCNQFDUUAG-WBMJQRKESA-N -1 0 331.799 3.840 20 0 EHADRM Cc1cnn(-c2ccc(C)cc2[N-]S(=O)(=O)c2cccc(C)c2)c1 ZINC000435144658 1024658390 /nfs/dbraw/zinc/65/83/90/1024658390.db2.gz JFOTWBXAMUHXPZ-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2cc(C)sc2C)cc2cccnc21 ZINC000427659425 1024721306 /nfs/dbraw/zinc/72/13/06/1024721306.db2.gz IYCONAKASHVSAT-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2cc3ccccc3n2C)cc1)C(=O)[O-] ZINC000514771586 1024731108 /nfs/dbraw/zinc/73/11/08/1024731108.db2.gz GMAILMIZWZMKSE-ZDUSSCGKSA-N -1 0 336.391 3.694 20 0 EHADRM Clc1cccc(CN=c2[n-]ncn2Cc2ccccc2)c1Cl ZINC000548616834 1024760683 /nfs/dbraw/zinc/76/06/83/1024760683.db2.gz WMNRWLWTVGOBMG-UHFFFAOYSA-N -1 0 333.222 3.667 20 0 EHADRM CCc1cc(Br)ccc1[N-]S(=O)(=O)c1ccsc1 ZINC000507937688 1024773374 /nfs/dbraw/zinc/77/33/74/1024773374.db2.gz SYEJAOLLAXKIOC-UHFFFAOYSA-N -1 0 346.271 3.874 20 0 EHADRM CCc1ccc([C@@H]2CCCCCN2C(=O)N=c2cc(C)c(C)n[n-]2)o1 ZINC000467460454 1024791044 /nfs/dbraw/zinc/79/10/44/1024791044.db2.gz XHKDGMZXFIATAI-INIZCTEOSA-N -1 0 342.443 3.820 20 0 EHADRM O=C(c1ccccc1[N-]S(=O)(=O)C1=CCCCC1)N1CCCCC1 ZINC000281272142 1024832988 /nfs/dbraw/zinc/83/29/88/1024832988.db2.gz WEVMYQUNGQAPKQ-UHFFFAOYSA-N -1 0 348.468 3.512 20 0 EHADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000508034178 1024841717 /nfs/dbraw/zinc/84/17/17/1024841717.db2.gz YQXBHUTYBQEMOB-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM CCc1ccc(CSc2n[n-]c(=NCC(F)(F)F)s2)cc1 ZINC000522686183 1024902420 /nfs/dbraw/zinc/90/24/20/1024902420.db2.gz NWGMBKPSNGGQRT-UHFFFAOYSA-N -1 0 333.404 3.789 20 0 EHADRM C[C@@H](NC(=O)N1CCCCC[C@@H]1C(=O)[O-])c1cccc2ccccc21 ZINC000684714182 1024902612 /nfs/dbraw/zinc/90/26/12/1024902612.db2.gz UNOYGCVTYAXGBQ-RDTXWAMCSA-N -1 0 340.423 3.940 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1csc([C@@H]2CCCO2)n1 ZINC000157612196 1024960292 /nfs/dbraw/zinc/96/02/92/1024960292.db2.gz ZETISQDIBAMCCL-NSHDSACASA-N -1 0 347.421 3.677 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)[nH]n2)cc1 ZINC000474435551 1024965919 /nfs/dbraw/zinc/96/59/19/1024965919.db2.gz UROKDDOUKFSZTN-UHFFFAOYSA-N -1 0 349.456 3.657 20 0 EHADRM O=c1nc(CSc2nncc3ccccc32)[n-]c2ccsc21 ZINC000515008348 1024966500 /nfs/dbraw/zinc/96/65/00/1024966500.db2.gz FOHJEZLSRZTFLE-UHFFFAOYSA-N -1 0 326.406 3.632 20 0 EHADRM CC[C@H](NC(=O)N1CCCCC[C@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000684719160 1024966893 /nfs/dbraw/zinc/96/68/93/1024966893.db2.gz HJBMEXMGCKVHHC-GJZGRUSLSA-N -1 0 338.835 3.830 20 0 EHADRM CCCN(C(=O)N[C@H](C)c1cc(C)sc1C)[C@H](CC)C(=O)[O-] ZINC000684720853 1024979685 /nfs/dbraw/zinc/97/96/85/1024979685.db2.gz MRSYZTPAIYAKHR-BXUZGUMPSA-N -1 0 326.462 3.711 20 0 EHADRM Cc1cc([C@H](C)NC(=O)N(C)[C@H](CC(C)C)C(=O)[O-])c(C)s1 ZINC000684721716 1024990167 /nfs/dbraw/zinc/99/01/67/1024990167.db2.gz YKEFXPNVWPIJBZ-SMDDNHRTSA-N -1 0 326.462 3.567 20 0 EHADRM CCO[C@H](CCNC(=O)CC1(C(=O)[O-])CCCCC1)C1CCCC1 ZINC000531087536 1025015430 /nfs/dbraw/zinc/01/54/30/1025015430.db2.gz AGQOKDJCMFSVMD-MRXNPFEDSA-N -1 0 339.476 3.513 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)N1CCCCC[C@@H]1C(=O)[O-] ZINC000684724099 1025031406 /nfs/dbraw/zinc/03/14/06/1025031406.db2.gz WWUCSUUIQACTAN-DZGCQCFKSA-N -1 0 344.411 3.841 20 0 EHADRM CCCc1nc(=NC(=O)c2cc(F)ccc2-c2ccoc2)s[n-]1 ZINC000342357466 1025040918 /nfs/dbraw/zinc/04/09/18/1025040918.db2.gz FZCZGWCGNKWFGG-UHFFFAOYSA-N -1 0 331.372 3.564 20 0 EHADRM Cc1c(NC(=O)CC2(C(=O)[O-])CCCC2)cccc1C(F)(F)F ZINC000348727349 1025053889 /nfs/dbraw/zinc/05/38/89/1025053889.db2.gz DBGPZYLKRMNAQM-UHFFFAOYSA-N -1 0 329.318 3.987 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)c1 ZINC000071975318 1025066106 /nfs/dbraw/zinc/06/61/06/1025066106.db2.gz NYYCHESYKZRULF-UHFFFAOYSA-N -1 0 349.305 3.834 20 0 EHADRM Cc1ccnc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1 ZINC000435714422 1025102203 /nfs/dbraw/zinc/10/22/03/1025102203.db2.gz JXLZDYIZFMBLIN-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CC(C)c1nc(/C=C\c2cnc(C(F)(F)F)s2)ncc1C(=O)[O-] ZINC000435741738 1025119548 /nfs/dbraw/zinc/11/95/48/1025119548.db2.gz KCCQLTXPKRMLPY-ARJAWSKDSA-N -1 0 343.330 3.944 20 0 EHADRM CC(C)C[C@H](C(=O)[O-])N(C)C(=O)N[C@H]1CC(C)(C)c2ccccc21 ZINC000684735813 1025125645 /nfs/dbraw/zinc/12/56/45/1025125645.db2.gz NMYIVBVROWQTSH-JKSUJKDBSA-N -1 0 332.444 3.550 20 0 EHADRM CC[C@@H]1CCC[C@@H]1NC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000684738986 1025143095 /nfs/dbraw/zinc/14/30/95/1025143095.db2.gz IZOOKVZZOOEGKO-HIFRSBDPSA-N -1 0 338.835 3.515 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2CCc3c(cccc3C(C)C)C2)s1 ZINC000474556687 1025145167 /nfs/dbraw/zinc/14/51/67/1025145167.db2.gz GOIJRZMYDMYKQG-UHFFFAOYSA-N -1 0 344.484 3.626 20 0 EHADRM CCOC(=O)c1ncc(Cl)cc1Nc1cc(C)cc(C(=O)[O-])c1 ZINC001211539284 1025169228 /nfs/dbraw/zinc/16/92/28/1025169228.db2.gz PIFUDWYPUUUYPZ-UHFFFAOYSA-N -1 0 334.759 3.662 20 0 EHADRM COc1ccc(C(=O)N=c2ccc(-c3ccccc3)n[n-]2)cc1C1CC1 ZINC000435830941 1025172707 /nfs/dbraw/zinc/17/27/07/1025172707.db2.gz LCJUDGDCKNKRJL-UHFFFAOYSA-N -1 0 345.402 3.704 20 0 EHADRM CCC1(CC)CN(C(=O)c2ccoc2CC(=O)[O-])c2ccccc21 ZINC000909552503 1025183194 /nfs/dbraw/zinc/18/31/94/1025183194.db2.gz LUUQYAROHYZSAH-UHFFFAOYSA-N -1 0 327.380 3.625 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)s1 ZINC000515378389 1025207669 /nfs/dbraw/zinc/20/76/69/1025207669.db2.gz NJKIMIMDPGGBQB-SDDRHHMPSA-N -1 0 340.518 3.552 20 0 EHADRM CCCC[C@@H](NC(=O)Nc1ccc(OC2CCCC2)cc1)C(=O)[O-] ZINC000521094048 1025208232 /nfs/dbraw/zinc/20/82/32/1025208232.db2.gz LVHAOKFWPNLWFE-MRXNPFEDSA-N -1 0 334.416 3.773 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)NCCCCC(=O)[O-])cc2s1 ZINC000669497182 1025209296 /nfs/dbraw/zinc/20/92/96/1025209296.db2.gz LVAKYPNOGMWKAF-UHFFFAOYSA-N -1 0 335.429 3.796 20 0 EHADRM O=C([O-])CN(C(=O)Nc1cccc(C(F)F)c1)C1CCCCC1 ZINC000684747189 1025236394 /nfs/dbraw/zinc/23/63/94/1025236394.db2.gz DZQNJSNXTBQAAZ-UHFFFAOYSA-N -1 0 326.343 3.875 20 0 EHADRM CCC(CC)[C@@H](NC(=O)N=c1[n-]nc2ccccn21)c1cccs1 ZINC000522776167 1025262697 /nfs/dbraw/zinc/26/26/97/1025262697.db2.gz LIQZRFGIMZQDBN-OAHLLOKOSA-N -1 0 343.456 3.512 20 0 EHADRM COc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)c1 ZINC000436044350 1025327722 /nfs/dbraw/zinc/32/77/22/1025327722.db2.gz BCQSVGGQJGETRX-UHFFFAOYSA-N -1 0 349.305 3.654 20 0 EHADRM CO[C@H](C)c1nc(=NC(=O)[C@H](CC2CCCCC2)C(C)C)s[n-]1 ZINC000511080948 1025369426 /nfs/dbraw/zinc/36/94/26/1025369426.db2.gz RBAPOCAFPWYOER-TZMCWYRMSA-N -1 0 339.505 3.849 20 0 EHADRM c1cc(CN=c2[n-]nc(-c3ccc4c(c3)CCC4)o2)n(C2CCCC2)n1 ZINC000515598547 1025392103 /nfs/dbraw/zinc/39/21/03/1025392103.db2.gz VMPJVYNLSQCORJ-UHFFFAOYSA-N -1 0 349.438 3.571 20 0 EHADRM CC[C@@](C)([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)C(F)(F)F ZINC000515595803 1025392201 /nfs/dbraw/zinc/39/22/01/1025392201.db2.gz GUWZAFZEPCMPOS-GFCCVEGCSA-N -1 0 345.333 3.775 20 0 EHADRM O=C(N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12)c1ccc(Cl)c([O-])c1 ZINC001167551260 1025427972 /nfs/dbraw/zinc/42/79/72/1025427972.db2.gz SXJWSCDIIUKTBE-APHBMKBZSA-N -1 0 334.202 3.767 20 0 EHADRM Cc1ccsc1CCCC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000909488548 1025459545 /nfs/dbraw/zinc/45/95/45/1025459545.db2.gz ACMADRXGINOSHM-CQSZACIVSA-N -1 0 337.485 3.729 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)CCCCOc1cc(C)ccc1C ZINC000442741820 1025461543 /nfs/dbraw/zinc/46/15/43/1025461543.db2.gz NVFOXGFSBXVZHB-INIZCTEOSA-N -1 0 335.444 3.564 20 0 EHADRM CC(C)COc1ccccc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000515697377 1025502284 /nfs/dbraw/zinc/50/22/84/1025502284.db2.gz QGYGHEFEPPXWPA-UHFFFAOYSA-N -1 0 341.379 3.800 20 0 EHADRM O=C(NCc1ccc(O)c(F)c1)[C@@H](c1ccncc1)C1CCCC1 ZINC000896500672 1025506711 /nfs/dbraw/zinc/50/67/11/1025506711.db2.gz HPYXGQQCSAPCTH-GOSISDBHSA-N -1 0 328.387 3.517 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cnccc2C(F)(F)F)c(C)c1 ZINC000442813505 1025509396 /nfs/dbraw/zinc/50/93/96/1025509396.db2.gz SIIAIRXTNRZZDI-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM COCc1ccc(S(=O)(=O)[N-]c2ccc(CCC(C)C)cn2)cc1 ZINC000451105729 1025539430 /nfs/dbraw/zinc/53/94/30/1025539430.db2.gz NACTXDGDRUYOIA-UHFFFAOYSA-N -1 0 348.468 3.617 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2scnc2C(C)C)c(C)c1F ZINC000451104839 1025568873 /nfs/dbraw/zinc/56/88/73/1025568873.db2.gz SNPGYYVIDZTQDH-UHFFFAOYSA-N -1 0 344.433 3.523 20 0 EHADRM CSc1ccc(Cl)cc1[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000179161149 1025616326 /nfs/dbraw/zinc/61/63/26/1025616326.db2.gz RFQRCNIRIJKMFA-UHFFFAOYSA-N -1 0 345.877 3.640 20 0 EHADRM CSc1ccc(NC(=O)N2CC[C@@H](C)C[C@H]2C(=O)[O-])cc1Cl ZINC000582219343 1025623602 /nfs/dbraw/zinc/62/36/02/1025623602.db2.gz KVRRESHSVRVDMU-SKDRFNHKSA-N -1 0 342.848 3.779 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1ccoc1C1CC1)C(=O)[O-] ZINC000582244334 1025661030 /nfs/dbraw/zinc/66/10/30/1025661030.db2.gz VSDWDEVRZUPZKA-ZDUSSCGKSA-N -1 0 327.380 3.520 20 0 EHADRM CC(C)(C)CS(=O)(=O)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000443042303 1025673760 /nfs/dbraw/zinc/67/37/60/1025673760.db2.gz XUBJRAKSPAALBB-NSHDSACASA-N -1 0 345.333 3.534 20 0 EHADRM CO[C@@H](C)c1nc(=NC[C@H](C)Oc2ccc(C(C)C)cc2)s[n-]1 ZINC000515889550 1025713062 /nfs/dbraw/zinc/71/30/62/1025713062.db2.gz AAQQEXHSTAUVJR-STQMWFEESA-N -1 0 335.473 3.670 20 0 EHADRM CCCC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000347253369 1025732415 /nfs/dbraw/zinc/73/24/15/1025732415.db2.gz AUNHDIWMRNMHEB-MJBXVCDLSA-N -1 0 343.345 3.569 20 0 EHADRM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2cccc(Br)c2[O-])C1 ZINC000530404328 1025770495 /nfs/dbraw/zinc/77/04/95/1025770495.db2.gz AWSWGNOFRZLLEB-OUAUKWLOSA-N -1 0 326.234 3.661 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)C2(Cc3ccccc3F)CC2)c1 ZINC000443124167 1025741065 /nfs/dbraw/zinc/74/10/65/1025741065.db2.gz AGJHYLLEUWFUHO-UHFFFAOYSA-N -1 0 327.355 3.695 20 0 EHADRM O=S(=O)([N-]c1cccc2[nH]cnc21)c1ccc(Cl)cc1Cl ZINC000342474646 1025742265 /nfs/dbraw/zinc/74/22/65/1025742265.db2.gz FWTJZVLXVYNXIC-UHFFFAOYSA-N -1 0 342.207 3.671 20 0 EHADRM CCCC[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000347265403 1025764574 /nfs/dbraw/zinc/76/45/74/1025764574.db2.gz JVJGHCIGKVYMDW-BZPMIXESSA-N -1 0 343.345 3.569 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccccc2)cn1)c1ccc(F)cc1F ZINC000521897120 1025768883 /nfs/dbraw/zinc/76/88/83/1025768883.db2.gz MVZVUBZVCRJJAI-UHFFFAOYSA-N -1 0 346.358 3.828 20 0 EHADRM Cc1cc(F)cc2c1CN(C(=O)c1cc(F)c([O-])c(Cl)c1)CC2 ZINC000436485289 1025791134 /nfs/dbraw/zinc/79/11/34/1025791134.db2.gz GOOSFWJAKZOMNM-UHFFFAOYSA-N -1 0 337.753 3.831 20 0 EHADRM O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1c(O)cccc1F ZINC000436512262 1025806971 /nfs/dbraw/zinc/80/69/71/1025806971.db2.gz KCGSGMSXNVEELX-UHFFFAOYSA-N -1 0 332.762 3.639 20 0 EHADRM O=C(NCCc1cccc2[nH]ccc21)c1cc(F)cc(Cl)c1[O-] ZINC000436517679 1025847663 /nfs/dbraw/zinc/84/76/63/1025847663.db2.gz VTLXYUDSMDUKJX-UHFFFAOYSA-N -1 0 332.762 3.639 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1ccc(Cl)c(F)c1 ZINC000191109852 1025861998 /nfs/dbraw/zinc/86/19/98/1025861998.db2.gz OVPYOKGCMJKHCD-OAHLLOKOSA-N -1 0 335.762 3.733 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)C[C@@H]1CCCC[C@@H]1C ZINC000522012538 1025873140 /nfs/dbraw/zinc/87/31/40/1025873140.db2.gz PGSORSYOHZCVFP-AAEUAGOBSA-N -1 0 328.416 3.641 20 0 EHADRM CC[C@H](O)CCCNC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436578030 1025880760 /nfs/dbraw/zinc/88/07/60/1025880760.db2.gz VPDSAMZISBCCRH-HNNXBMFYSA-N -1 0 347.842 3.994 20 0 EHADRM CC1(C)[C@H](NC(=O)c2cc(Cl)c3ccccc3c2[O-])[C@H]2CCO[C@@H]21 ZINC000436560666 1025884954 /nfs/dbraw/zinc/88/49/54/1025884954.db2.gz GEQPMGDPPKLMJE-JLZZUVOBSA-N -1 0 345.826 3.742 20 0 EHADRM O=C(Nc1cccc(F)c1O)c1ccc(Br)cc1F ZINC000707970807 1025903820 /nfs/dbraw/zinc/90/38/20/1025903820.db2.gz IUIJTSGUGXNROV-UHFFFAOYSA-N -1 0 328.112 3.685 20 0 EHADRM C[C@@H]1N(C(=O)c2cc(Cl)c3ccccc3c2[O-])CCOC1(C)C ZINC000436597242 1025917619 /nfs/dbraw/zinc/91/76/19/1025917619.db2.gz PJSDMDJRPCDOJI-NSHDSACASA-N -1 0 333.815 3.838 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)N[C@H]2CCC[C@@H]2c2ccccc2)s1 ZINC000522087805 1025947518 /nfs/dbraw/zinc/94/75/18/1025947518.db2.gz VUYIGFQHGBCZGM-KGLIPLIRSA-N -1 0 344.484 3.715 20 0 EHADRM CCOC(=O)CC(C)(C)N(C)C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000436616522 1025949804 /nfs/dbraw/zinc/94/98/04/1025949804.db2.gz ILDGIDRUQAAADE-UHFFFAOYSA-N -1 0 348.226 3.503 20 0 EHADRM CCCCOc1cccc(CNC(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000436626735 1025953179 /nfs/dbraw/zinc/95/31/79/1025953179.db2.gz KBIWINBDPSKGRH-UHFFFAOYSA-N -1 0 335.350 3.779 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)c2cccc(OC)c2)c1 ZINC000436651311 1025978477 /nfs/dbraw/zinc/97/84/77/1025978477.db2.gz DRYODVANASYEPR-LBPRGKRZSA-N -1 0 327.380 3.736 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CCc2cccc(OC)c2)c1 ZINC000436650546 1025978596 /nfs/dbraw/zinc/97/85/96/1025978596.db2.gz RWKXZFYRJYOLRV-UHFFFAOYSA-N -1 0 327.380 3.565 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H](c2cccnc2)C(C)C)c1 ZINC000436653327 1025983126 /nfs/dbraw/zinc/98/31/26/1025983126.db2.gz UGROZZRKMWHRLN-GOSISDBHSA-N -1 0 326.396 3.758 20 0 EHADRM CC(C)C(=O)Nc1ccc(CNC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000029965918 1025994241 /nfs/dbraw/zinc/99/42/41/1025994241.db2.gz POYCZBFMKBPKQU-UHFFFAOYSA-N -1 0 346.814 3.570 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C[C@@H]2OCCc3ccccc32)c1 ZINC000436645962 1025997370 /nfs/dbraw/zinc/99/73/70/1025997370.db2.gz NFUUTQPTVZLKRZ-IBGZPJMESA-N -1 0 339.391 3.628 20 0 EHADRM O=S(=O)(NC[C@H]1CCSC1)c1sc2ccccc2c1Cl ZINC000451481845 1025999940 /nfs/dbraw/zinc/99/99/40/1025999940.db2.gz UVXXLDGINZLDMV-SECBINFHSA-N -1 0 347.914 3.586 20 0 EHADRM FC(F)c1ccc(CN=c2[n-]nc([C@H]3Cc4ccccc4O3)o2)cc1 ZINC000530528040 1026004220 /nfs/dbraw/zinc/00/42/20/1026004220.db2.gz SCQPODMBUYOQIP-OAHLLOKOSA-N -1 0 343.333 3.717 20 0 EHADRM Cc1cc(NC(=O)Cc2ccccc2C(=O)[O-])ccc1OC(C)C ZINC000262175780 1026007955 /nfs/dbraw/zinc/00/79/55/1026007955.db2.gz LWLROWNWAVJSJJ-UHFFFAOYSA-N -1 0 327.380 3.662 20 0 EHADRM CC(C)c1cccnc1[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000443417412 1026008508 /nfs/dbraw/zinc/00/85/08/1026008508.db2.gz LJUFBUREHFNNFQ-UHFFFAOYSA-N -1 0 327.409 3.554 20 0 EHADRM CCc1cccnc1[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000443411138 1026010444 /nfs/dbraw/zinc/01/04/44/1026010444.db2.gz UQTLKCIKJKQODE-UHFFFAOYSA-N -1 0 345.449 3.568 20 0 EHADRM CCc1cccnc1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000443421155 1026019582 /nfs/dbraw/zinc/01/95/82/1026019582.db2.gz WUOSCNSCFQAGBY-UHFFFAOYSA-N -1 0 331.224 3.752 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NC[C@@H](C(=O)[O-])C2CCC2)o1 ZINC000665324521 1026024967 /nfs/dbraw/zinc/02/49/67/1026024967.db2.gz UCAKOZOIMNYLJW-WQVCFCJDSA-N -1 0 348.443 3.572 20 0 EHADRM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C)cc3cccnc32)c1 ZINC000614729889 1026044857 /nfs/dbraw/zinc/04/48/57/1026044857.db2.gz NXDPTLHGYHOLTM-UHFFFAOYSA-N -1 0 326.421 3.961 20 0 EHADRM CCCN(C(=O)NC[C@@H](C(=O)[O-])C1CCC1)[C@@H]1CCc2ccccc21 ZINC000665326520 1026048280 /nfs/dbraw/zinc/04/82/80/1026048280.db2.gz ALJLYBFHTIMDMZ-QZTJIDSGSA-N -1 0 344.455 3.596 20 0 EHADRM CC(C)Cn1cc(/C=C\c2nc(-c3ccccc3)ncc2C(=O)[O-])cn1 ZINC000443445937 1026054146 /nfs/dbraw/zinc/05/41/46/1026054146.db2.gz RZKZXWYMEZQYTE-HJWRWDBZSA-N -1 0 348.406 3.865 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CCc2ccc3ccccc3n2)c1 ZINC000436703670 1026064783 /nfs/dbraw/zinc/06/47/83/1026064783.db2.gz HSFQSICGNYQWLG-UHFFFAOYSA-N -1 0 334.375 3.714 20 0 EHADRM Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000436714897 1026082377 /nfs/dbraw/zinc/08/23/77/1026082377.db2.gz NLCCDEVEUJJNBX-CYBMUJFWSA-N -1 0 333.815 3.860 20 0 EHADRM Cc1cc(NC(=O)c2cc(Br)cc(Cl)c2[O-])sn1 ZINC000436712280 1026082913 /nfs/dbraw/zinc/08/29/13/1026082913.db2.gz FOANONZWRRQVMP-UHFFFAOYSA-N -1 0 347.621 3.825 20 0 EHADRM CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000436717526 1026088114 /nfs/dbraw/zinc/08/81/14/1026088114.db2.gz GWBBJZRGAZLIIW-UHFFFAOYSA-N -1 0 332.787 3.892 20 0 EHADRM O=C(c1ccc(F)cc1[O-])N1CCCN(c2ccccc2Cl)CC1 ZINC000436732463 1026123129 /nfs/dbraw/zinc/12/31/29/1026123129.db2.gz UIIZILAROSMOID-UHFFFAOYSA-N -1 0 348.805 3.537 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])[C@H](C)CO1 ZINC000436761139 1026131382 /nfs/dbraw/zinc/13/13/82/1026131382.db2.gz WJUYAXVPVLTWPZ-CHWSQXEVSA-N -1 0 345.826 3.962 20 0 EHADRM C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)c1ccc([O-])c(Cl)c1 ZINC000436747170 1026132207 /nfs/dbraw/zinc/13/22/07/1026132207.db2.gz KZQZSSKWVXCJRP-LBPRGKRZSA-N -1 0 348.805 3.536 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H]2CCc3cccc(OC)c32)c1 ZINC000436764006 1026133470 /nfs/dbraw/zinc/13/34/70/1026133470.db2.gz JCZAXWBSSHKGQU-AWEZNQCLSA-N -1 0 339.391 3.662 20 0 EHADRM CC(C)(CCC(=O)[O-])C(=O)Nc1cc(Br)ccc1Cl ZINC000634821243 1026201460 /nfs/dbraw/zinc/20/14/60/1026201460.db2.gz REBJMSYKKVZEPY-UHFFFAOYSA-N -1 0 348.624 3.932 20 0 EHADRM O=C([O-])CCCCC(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000342543929 1026204938 /nfs/dbraw/zinc/20/49/38/1026204938.db2.gz JPABPJVBXXBNLY-ZDUSSCGKSA-N -1 0 337.725 3.705 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CC[C@@H](CC(F)(F)F)C1 ZINC000277589070 1026211047 /nfs/dbraw/zinc/21/10/47/1026211047.db2.gz VKVBWMXSGGSHNK-ZETCQYMHSA-N -1 0 325.689 3.599 20 0 EHADRM Cc1ccc2cccc(S(=O)(=O)[N-]c3cc(F)cc(F)c3)c2n1 ZINC000530770385 1026278822 /nfs/dbraw/zinc/27/88/22/1026278822.db2.gz LHQHEEQTICXDQM-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM CC(C)Cn1ncc(C(=O)NCCCCCCCC(=O)[O-])c1C1CC1 ZINC000277619897 1026335437 /nfs/dbraw/zinc/33/54/37/1026335437.db2.gz JFDPPQPEFNEENK-UHFFFAOYSA-N -1 0 349.475 3.572 20 0 EHADRM CCOc1ccc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)cc1OC ZINC000158387075 1026404076 /nfs/dbraw/zinc/40/40/76/1026404076.db2.gz ZJZLSEZDACQSDY-UHFFFAOYSA-N -1 0 344.392 3.776 20 0 EHADRM CC(C)c1nc(=N[C@H](c2nccn2C)c2ccc(Cl)cc2)s[n-]1 ZINC000530933899 1026432947 /nfs/dbraw/zinc/43/29/47/1026432947.db2.gz OQSJVJMTWBNXHK-ZDUSSCGKSA-N -1 0 347.875 3.672 20 0 EHADRM CC(C)c1nc(=N[C@@H](c2nccn2C)c2ccc(Cl)cc2)s[n-]1 ZINC000530933896 1026433381 /nfs/dbraw/zinc/43/33/81/1026433381.db2.gz OQSJVJMTWBNXHK-CYBMUJFWSA-N -1 0 347.875 3.672 20 0 EHADRM CCOC(=O)c1ccc(Nc2cc(C)cc(C(=O)[O-])c2)c(OC)c1 ZINC001211547149 1026434246 /nfs/dbraw/zinc/43/42/46/1026434246.db2.gz HWLHMHCXCSXTCC-UHFFFAOYSA-N -1 0 329.352 3.622 20 0 EHADRM COC(=O)c1cc(F)c(Nc2cc(C)cc(C(=O)[O-])c2)c(C)c1F ZINC001211547108 1026442657 /nfs/dbraw/zinc/44/26/57/1026442657.db2.gz FZLYOEWWEQYPBJ-UHFFFAOYSA-N -1 0 335.306 3.810 20 0 EHADRM Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)s1 ZINC000530956036 1026445706 /nfs/dbraw/zinc/44/57/06/1026445706.db2.gz JPFALGLWQRTLFE-UHFFFAOYSA-N -1 0 340.470 3.656 20 0 EHADRM COc1c(C)ccc([N-]S(=O)(=O)c2cc3ccccc3o2)c1C ZINC000531008278 1026480379 /nfs/dbraw/zinc/48/03/79/1026480379.db2.gz JAXXEZJNFAHYGW-UHFFFAOYSA-N -1 0 331.393 3.859 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCC(C)C)cc1F ZINC000511152767 1026512387 /nfs/dbraw/zinc/51/23/87/1026512387.db2.gz DBTRTIPQQZOEPX-UHFFFAOYSA-N -1 0 337.416 3.970 20 0 EHADRM CC(C)Cc1nc(=NCc2ccc(Oc3ccccc3)nc2)s[n-]1 ZINC000475363121 1026516217 /nfs/dbraw/zinc/51/62/17/1026516217.db2.gz RVVALJBTEYSQRL-UHFFFAOYSA-N -1 0 340.452 3.958 20 0 EHADRM Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2cc(F)cc(F)c2)s1 ZINC000122516780 1026525601 /nfs/dbraw/zinc/52/56/01/1026525601.db2.gz ZKHZNVJUIGAITL-UHFFFAOYSA-N -1 0 346.424 3.729 20 0 EHADRM O=S(=O)(Cc1ccc(F)cc1)[N-]c1noc2cc(Cl)ccc21 ZINC000342645663 1026554665 /nfs/dbraw/zinc/55/46/65/1026554665.db2.gz UQAGVIBXYRFDEA-UHFFFAOYSA-N -1 0 340.763 3.562 20 0 EHADRM C[C@H](C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000564977541 1026906446 /nfs/dbraw/zinc/90/64/46/1026906446.db2.gz GAIYNFCMEHXVSX-NHCYSSNCSA-N -1 0 344.238 3.666 20 0 EHADRM COc1cc(C(=O)[O-])sc1-c1ccccc1OC[C@@H]1CCOC1 ZINC000563437482 1026956502 /nfs/dbraw/zinc/95/65/02/1026956502.db2.gz KPNBGSJSPGDGAG-LLVKDONJSA-N -1 0 334.393 3.537 20 0 EHADRM Cc1ccc(-c2ccnn2C)cc1NC(=O)c1c([O-])cc(F)cc1F ZINC000684988875 1026992097 /nfs/dbraw/zinc/99/20/97/1026992097.db2.gz NOAJEPNWVADGKW-UHFFFAOYSA-N -1 0 343.333 3.632 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NCc2cnc(C3CC3)s2)o1 ZINC000582708244 1027011921 /nfs/dbraw/zinc/01/19/21/1027011921.db2.gz ZLTFJBFGZFEAKW-UHFFFAOYSA-N -1 0 330.388 3.552 20 0 EHADRM CC(C)[C@H](C(=O)[O-])[S@](=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000578319045 1027018677 /nfs/dbraw/zinc/01/86/77/1027018677.db2.gz DZATXUVDFKBKPM-CFMSYZGJSA-N -1 0 328.739 3.576 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cccc(Cl)c2F)cc1C ZINC000342783195 1027027616 /nfs/dbraw/zinc/02/76/16/1027027616.db2.gz QZXGBQZJGXQPTA-SECBINFHSA-N -1 0 345.827 3.756 20 0 EHADRM CS[C@H](C)CC(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000125720572 1027118967 /nfs/dbraw/zinc/11/89/67/1027118967.db2.gz RZQNDSLWYDFAEM-ZCFIWIBFSA-N -1 0 338.654 3.888 20 0 EHADRM C[C@@H](O)[C@H]1CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])C1 ZINC000272844148 1027143543 /nfs/dbraw/zinc/14/35/43/1027143543.db2.gz RCMRMRLCXJEYQD-OCCSQVGLSA-N -1 0 345.826 3.556 20 0 EHADRM Cn1nc(C2CCCC2)cc1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000272851289 1027147921 /nfs/dbraw/zinc/14/79/21/1027147921.db2.gz KJVINYMJNSYLSK-UHFFFAOYSA-N -1 0 336.395 3.584 20 0 EHADRM Fc1cc(-c2ccc(CNc3ccc(=S)[nH]n3)cc2F)ccn1 ZINC001168141150 1027183284 /nfs/dbraw/zinc/18/32/84/1027183284.db2.gz IHNCOUYZMTXEHW-UHFFFAOYSA-N -1 0 330.363 3.718 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000237050675 1027203762 /nfs/dbraw/zinc/20/37/62/1027203762.db2.gz QFQAKZWRYYEJAT-GOSISDBHSA-N -1 0 343.448 3.843 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N[C@@H](CC(=O)[O-])c3ccc(F)cc3)cc2c1 ZINC000531740599 1027261922 /nfs/dbraw/zinc/26/19/22/1027261922.db2.gz BYVQRYDPDXJELB-INIZCTEOSA-N -1 0 340.354 3.561 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N[C@H](C)c2ccc(Cl)cc2)s1 ZINC000459296636 1027393606 /nfs/dbraw/zinc/39/36/06/1027393606.db2.gz RFGUEUFLNYPCGV-MRVPVSSYSA-N -1 0 342.877 3.608 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)Cc2ccc(Cl)cc2)s[n-]1 ZINC000472253506 1027420268 /nfs/dbraw/zinc/42/02/68/1027420268.db2.gz BZUGZWMRXZRHDY-UHFFFAOYSA-N -1 0 349.868 3.832 20 0 EHADRM CSCc1ccccc1NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000273440844 1027428362 /nfs/dbraw/zinc/42/83/62/1027428362.db2.gz AYIOSLZIKWZSQY-LJQANCHMSA-N -1 0 343.448 3.921 20 0 EHADRM C[C@H](N=c1[n-]nc(-c2ccccc2)s1)c1ccccc1-n1cccn1 ZINC000531843773 1027507988 /nfs/dbraw/zinc/50/79/88/1027507988.db2.gz CUNKDCICEVCVMB-AWEZNQCLSA-N -1 0 347.447 3.986 20 0 EHADRM COc1ccc(-c2n[n-]c(=N[C@@H](C)c3nc(C)cs3)s2)cc1 ZINC000420591071 1027633269 /nfs/dbraw/zinc/63/32/69/1027633269.db2.gz XWCVWMVSYUARKG-JTQLQIEISA-N -1 0 332.454 3.574 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)CCC1 ZINC000262526724 1027655327 /nfs/dbraw/zinc/65/53/27/1027655327.db2.gz OVMIJGNXKBQXOM-MRXNPFEDSA-N -1 0 335.831 3.942 20 0 EHADRM C[C@@H](N=c1nc(C2CCCC2)[n-]s1)[C@H]1OCCc2sccc21 ZINC000420637829 1027674520 /nfs/dbraw/zinc/67/45/20/1027674520.db2.gz ODWGRZAXSULQCT-QMTHXVAHSA-N -1 0 335.498 3.794 20 0 EHADRM COc1ccc2c(c1)CCC[C@H]2CC(=O)NCCCCCCC(=O)[O-] ZINC000237313449 1027692710 /nfs/dbraw/zinc/69/27/10/1027692710.db2.gz JRTDJGVQDYMSPK-INIZCTEOSA-N -1 0 347.455 3.657 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2cccn2C2CCCC2)cc1F ZINC000422571381 1027803822 /nfs/dbraw/zinc/80/38/22/1027803822.db2.gz IDDRTIZTXJRDSF-UHFFFAOYSA-N -1 0 330.359 3.622 20 0 EHADRM O=C(c1cc(-c2ccccc2)cc(Cl)c1[O-])N1CCC[C@@H](CO)C1 ZINC000305118866 1027807408 /nfs/dbraw/zinc/80/74/08/1027807408.db2.gz LTBXADNQDGAZKF-CYBMUJFWSA-N -1 0 345.826 3.557 20 0 EHADRM Cc1nc(CCSc2n[n-]c(=Nc3ccccc3)s2)cs1 ZINC000502126939 1027807750 /nfs/dbraw/zinc/80/77/50/1027807750.db2.gz SOSCYJASVKHADK-UHFFFAOYSA-N -1 0 334.495 3.803 20 0 EHADRM CCCCCc1nnc(NC(=O)c2cc(Cl)ccc2[O-])s1 ZINC001142059613 1027870850 /nfs/dbraw/zinc/87/08/50/1027870850.db2.gz UDFUALKLPIWAGH-UHFFFAOYSA-N -1 0 325.821 3.882 20 0 EHADRM COc1ccc(CCCCCC(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000532677069 1027895576 /nfs/dbraw/zinc/89/55/76/1027895576.db2.gz CZXSEPOLEGAGAX-KRWDZBQOSA-N -1 0 347.455 3.511 20 0 EHADRM CCC[C@H](NC(=O)CC1(C(=O)[O-])CCC1)c1ccc(F)cc1F ZINC000262548270 1027896153 /nfs/dbraw/zinc/89/61/53/1027896153.db2.gz SNGQJFAGFPRVQR-AWEZNQCLSA-N -1 0 325.355 3.567 20 0 EHADRM CC(C)(C)c1ccc(SCC(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000532678612 1027898264 /nfs/dbraw/zinc/89/82/64/1027898264.db2.gz NFNWENCKTGOWBI-AWEZNQCLSA-N -1 0 349.496 3.790 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)n2)cc(C)c1F ZINC000783607101 1027902216 /nfs/dbraw/zinc/90/22/16/1027902216.db2.gz IIFRIXTXNYRQKI-UHFFFAOYSA-N -1 0 349.214 3.945 20 0 EHADRM C[C@H](c1cc2ccccc2o1)N(C)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000533445334 1027910837 /nfs/dbraw/zinc/91/08/37/1027910837.db2.gz YNZRPGWQOJRVKB-GFCCVEGCSA-N -1 0 336.395 3.747 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)NC2(c3ccccc3)CCC2)c(C)c1 ZINC000132433173 1027924922 /nfs/dbraw/zinc/92/49/22/1027924922.db2.gz HATOWJOFZFIMRF-DEOSSOPVSA-N -1 0 341.476 3.607 20 0 EHADRM C[C@@H](CC(=O)N[C@H](CC1CC1)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000262191856 1027963236 /nfs/dbraw/zinc/96/32/36/1027963236.db2.gz IBCDDGYEXOIXSG-IINYFYTJSA-N -1 0 343.345 3.569 20 0 EHADRM Cc1ccc(-c2nc(C(=O)N3CCCC[C@@H]3CCC(=O)[O-])cs2)o1 ZINC000237746457 1028082512 /nfs/dbraw/zinc/08/25/12/1028082512.db2.gz AGFZQMJPSGBYMT-GFCCVEGCSA-N -1 0 348.424 3.571 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N[C@@H](C)c2cc(C)cc(C)c2)s1 ZINC000503704419 1028086054 /nfs/dbraw/zinc/08/60/54/1028086054.db2.gz YGRTWASXSMAEPH-NSHDSACASA-N -1 0 336.486 3.572 20 0 EHADRM Cc1ccc(-c2ncco2)cc1NS(=O)(=O)c1ccc(F)cc1C ZINC000134687842 1028136831 /nfs/dbraw/zinc/13/68/31/1028136831.db2.gz JXYROXYUQNUTLN-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000614838727 1028158258 /nfs/dbraw/zinc/15/82/58/1028158258.db2.gz IDLFNYFSDOEMAK-UHFFFAOYSA-N -1 0 347.770 3.818 20 0 EHADRM Cc1cccc(C2(C(=O)N3CCC[C@H](CC(=O)[O-])C3)CCCC2)c1 ZINC000532693300 1028161059 /nfs/dbraw/zinc/16/10/59/1028161059.db2.gz KUEQBHSACCOJLO-MRXNPFEDSA-N -1 0 329.440 3.520 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2ncccc2Br)c1 ZINC001211958584 1028172709 /nfs/dbraw/zinc/17/27/09/1028172709.db2.gz YJGPRGPLYXKAQG-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM Cc1cc(Nc2cc(Cl)cc(C(=O)[O-])c2)n(C2CCOCC2)n1 ZINC001211962394 1028212561 /nfs/dbraw/zinc/21/25/61/1028212561.db2.gz BMGKJNBEOJGEAC-UHFFFAOYSA-N -1 0 335.791 3.638 20 0 EHADRM Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000502474236 1028246865 /nfs/dbraw/zinc/24/68/65/1028246865.db2.gz RCZBPNGTCQCMGS-UHFFFAOYSA-N -1 0 329.372 3.580 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)c(F)c1 ZINC000729666661 1028277935 /nfs/dbraw/zinc/27/79/35/1028277935.db2.gz YDPJTXNDBFKWQC-UHFFFAOYSA-N -1 0 349.214 3.824 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2C)cc1 ZINC000503980104 1028290850 /nfs/dbraw/zinc/29/08/50/1028290850.db2.gz WXWXAPAHJDKFJU-UHFFFAOYSA-N -1 0 341.436 3.544 20 0 EHADRM COc1cc(Nc2cc(Cl)cc(C(=O)[O-])c2)cc(OC)c1OC ZINC001211966525 1028305090 /nfs/dbraw/zinc/30/50/90/1028305090.db2.gz CTHSYVOOLHADMB-UHFFFAOYSA-N -1 0 337.759 3.808 20 0 EHADRM Cc1c(Nc2ncc(Br)nc2Cl)cccc1C(=O)[O-] ZINC001216656964 1028330725 /nfs/dbraw/zinc/33/07/25/1028330725.db2.gz NISZKQQOPQZRIH-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2cccc3c2C(=O)N(C2CC2)C3)c1 ZINC001211969582 1028438202 /nfs/dbraw/zinc/43/82/02/1028438202.db2.gz QHRBXOIXPPRFQL-UHFFFAOYSA-N -1 0 342.782 3.900 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000236678962 1028561313 /nfs/dbraw/zinc/56/13/13/1028561313.db2.gz LLTNDWNLADFXPZ-RYUDHWBXSA-N -1 0 344.238 3.666 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000236674252 1028562659 /nfs/dbraw/zinc/56/26/59/1028562659.db2.gz LLTNDWNLADFXPZ-NWDGAFQWSA-N -1 0 344.238 3.666 20 0 EHADRM CCC[C@@]1(C)CCCN(C(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)C1 ZINC000236990921 1028608351 /nfs/dbraw/zinc/60/83/51/1028608351.db2.gz CQFSLIMMLZHNAW-FQEVSTJZSA-N -1 0 347.455 3.809 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)CCCc1csc2ccccc12 ZINC000237029976 1028616784 /nfs/dbraw/zinc/61/67/84/1028616784.db2.gz ZTQSXKBCBFEZKE-CYBMUJFWSA-N -1 0 333.453 3.936 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)[C@@H](C)c1ccccc1F ZINC000237446320 1028651344 /nfs/dbraw/zinc/65/13/44/1028651344.db2.gz BTKPXRWQGNZSIH-SUMWQHHRSA-N -1 0 329.371 3.570 20 0 EHADRM C[C@H](Sc1ccccc1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000237543525 1028654390 /nfs/dbraw/zinc/65/43/90/1028654390.db2.gz SEXYCSPWEUHOSQ-ZDUSSCGKSA-N -1 0 329.421 3.524 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1cccc(-n2cccc2)c1 ZINC000237616212 1028659659 /nfs/dbraw/zinc/65/96/59/1028659659.db2.gz UTDDZVHXILEHFH-LJQANCHMSA-N -1 0 348.402 3.732 20 0 EHADRM Cc1ccc(CCC(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)c(C)c1 ZINC000237684882 1028662872 /nfs/dbraw/zinc/66/28/72/1028662872.db2.gz PWTFIGQXFSYSON-IBGZPJMESA-N -1 0 339.435 3.877 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000237789036 1028663924 /nfs/dbraw/zinc/66/39/24/1028663924.db2.gz QUPNQLNUCLQCAG-PWZNUNQRSA-N -1 0 327.405 3.897 20 0 EHADRM Cc1ccc2nc(C)c(C(=O)N[C@H](CC(=O)[O-])c3ccccc3)cc2c1 ZINC000237900938 1028670449 /nfs/dbraw/zinc/67/04/49/1028670449.db2.gz XQPJKBQIAMFGAG-LJQANCHMSA-N -1 0 348.402 3.797 20 0 EHADRM CC(C)CCn1nccc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000583063982 1028716153 /nfs/dbraw/zinc/71/61/53/1028716153.db2.gz RFDWPJFMTNURFV-UHFFFAOYSA-N -1 0 345.827 3.523 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)NCc2cccc3ccccc32)s[n-]1 ZINC000523927648 1028719893 /nfs/dbraw/zinc/71/98/93/1028719893.db2.gz JQROJVVKHVCROZ-UHFFFAOYSA-N -1 0 340.452 3.732 20 0 EHADRM C[C@H]1CCN(C(=O)N=c2[n-]nc(-c3ccccc3)s2)C[C@@H](C)C1 ZINC000502876664 1028769532 /nfs/dbraw/zinc/76/95/32/1028769532.db2.gz QTETUOXFYPUWNF-STQMWFEESA-N -1 0 330.457 3.527 20 0 EHADRM C[C@@H]1C[C@H](C)CCN(C(=O)N=c2nc(-c3ccccc3)[n-]s2)C1 ZINC000502864799 1028776437 /nfs/dbraw/zinc/77/64/37/1028776437.db2.gz WEOXRNRIAKYGNT-CHWSQXEVSA-N -1 0 330.457 3.527 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)C2(c3c(F)cccc3F)CCC2)c1 ZINC000421798461 1028787522 /nfs/dbraw/zinc/78/75/22/1028787522.db2.gz ZSAKMFPZCIUCGX-UHFFFAOYSA-N -1 0 345.345 3.933 20 0 EHADRM COCc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C)sc1C ZINC000424089113 1028792589 /nfs/dbraw/zinc/79/25/89/1028792589.db2.gz VEYOLUSDKMHGGF-UHFFFAOYSA-N -1 0 345.873 3.966 20 0 EHADRM CC[C@@H](Cc1ccc(NCc2nn(C)c(C)c2Cl)cc1)C(=O)[O-] ZINC000421816828 1028835564 /nfs/dbraw/zinc/83/55/64/1028835564.db2.gz RBQHJNIZEFBCTI-ZDUSSCGKSA-N -1 0 335.835 3.647 20 0 EHADRM Cc1nn(CC(C)C)c(C)c1Cc1nc(-c2ccc(O)c(F)c2)no1 ZINC000445473108 1028854593 /nfs/dbraw/zinc/85/45/93/1028854593.db2.gz MRHGAFORSHPAGX-UHFFFAOYSA-N -1 0 344.390 3.641 20 0 EHADRM C[C@H]([N-]S(=O)(=O)c1sc2ccccc2c1Cl)C(F)(F)F ZINC000424210262 1028873120 /nfs/dbraw/zinc/87/31/20/1028873120.db2.gz CTPWEBUFSPGZLD-LURJTMIESA-N -1 0 343.779 3.784 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)CCc2ccc(Cl)cc2)on1 ZINC000424197903 1028883426 /nfs/dbraw/zinc/88/34/26/1028883426.db2.gz ANJTUZVJQPAJOP-UHFFFAOYSA-N -1 0 342.848 3.610 20 0 EHADRM Cc1cc(NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)ccc1F ZINC000583127959 1028922002 /nfs/dbraw/zinc/92/20/02/1028922002.db2.gz DOLFXMHLPJUJHT-IRXDYDNUSA-N -1 0 342.370 3.956 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)NCc2ccc(Cl)s2)s1 ZINC000503041673 1029005128 /nfs/dbraw/zinc/00/51/28/1029005128.db2.gz BHJWTUBUTAPCIO-UHFFFAOYSA-N -1 0 344.893 3.900 20 0 EHADRM CCC(CC)(CC(=O)NCc1ccc(C)cc1OCC1CC1)C(=O)[O-] ZINC000445649240 1029022578 /nfs/dbraw/zinc/02/25/78/1029022578.db2.gz WDAAIPPMRCRRKJ-UHFFFAOYSA-N -1 0 347.455 3.681 20 0 EHADRM C[C@@H](NC(=O)NCCC(C)(C)C(=O)[O-])c1cccc2ccccc21 ZINC000424388279 1029041754 /nfs/dbraw/zinc/04/17/54/1029041754.db2.gz JVEWGWRUVAYXRK-CYBMUJFWSA-N -1 0 328.412 3.701 20 0 EHADRM CCCn1nccc1[N-]S(=O)(=O)c1ccc(CCC(C)C)cc1 ZINC000524298818 1029059911 /nfs/dbraw/zinc/05/99/11/1029059911.db2.gz YSVYCCYWKZMDNP-UHFFFAOYSA-N -1 0 335.473 3.683 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N[C@@H]2CCc3ccccc32)s1 ZINC000503128373 1029081316 /nfs/dbraw/zinc/08/13/16/1029081316.db2.gz DFDGLWHKIWHPSR-CQSZACIVSA-N -1 0 330.457 3.502 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)CCSc2ccccc2F)s[n-]1 ZINC000524318600 1029081568 /nfs/dbraw/zinc/08/15/68/1029081568.db2.gz XNWCFKHYPQKWEN-UHFFFAOYSA-N -1 0 339.461 3.518 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)NCCC1=CCCCC1)C(=O)[O-] ZINC000237372963 1029087513 /nfs/dbraw/zinc/08/75/13/1029087513.db2.gz GKHQSHRSQHJRKK-CYBMUJFWSA-N -1 0 333.453 3.872 20 0 EHADRM COc1cc(F)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C ZINC000505009197 1029114756 /nfs/dbraw/zinc/11/47/56/1029114756.db2.gz PMEBGUVRWAPKBN-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)CCC1CCC1)Cc1cccc2ccccc21 ZINC000431525386 1029173728 /nfs/dbraw/zinc/17/37/28/1029173728.db2.gz UIRSUASIEICCGO-GOSISDBHSA-N -1 0 339.435 3.780 20 0 EHADRM CC[C@H](Oc1ccccc1F)C(=O)NCCCCCCCC(=O)[O-] ZINC000271970516 1029252468 /nfs/dbraw/zinc/25/24/68/1029252468.db2.gz QVLHINBTEWLDNH-HNNXBMFYSA-N -1 0 339.407 3.525 20 0 EHADRM CC(C)Oc1cccc(CC(=O)NCCCCCCCC(=O)[O-])c1 ZINC000271990696 1029262142 /nfs/dbraw/zinc/26/21/42/1029262142.db2.gz ZYGJIRMHUORQMW-UHFFFAOYSA-N -1 0 335.444 3.558 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@@]2(Cc2ccccc2)C(=O)[O-])s1 ZINC000583240696 1029357183 /nfs/dbraw/zinc/35/71/83/1029357183.db2.gz SDMBZIAIGPCVMK-GOSISDBHSA-N -1 0 344.436 3.750 20 0 EHADRM CCOc1cc(-c2noc(C3(O)CCCCC3)n2)cc(Cl)c1O ZINC000278155110 1029378808 /nfs/dbraw/zinc/37/88/08/1029378808.db2.gz VDZHRNBYAXPJIA-UHFFFAOYSA-N -1 0 338.791 3.646 20 0 EHADRM Cc1ccc(C)c(C(=O)NCC(C)(C)c2cccc(F)c2)c1C(=O)[O-] ZINC000634887630 1029379419 /nfs/dbraw/zinc/37/94/19/1029379419.db2.gz KUNXHCLBLAOVSL-UHFFFAOYSA-N -1 0 343.398 3.848 20 0 EHADRM COc1ccc(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])c(F)c1 ZINC000237458677 1029460489 /nfs/dbraw/zinc/46/04/89/1029460489.db2.gz RIRDCHJDMVHJNI-UHFFFAOYSA-N -1 0 339.322 3.938 20 0 EHADRM CCc1oc(C(=O)N2CCC[C@@H]2Cc2cccc(F)c2)cc1C(=O)[O-] ZINC000261628685 1029462956 /nfs/dbraw/zinc/46/29/56/1029462956.db2.gz JBBNZDJBTSGHQZ-CQSZACIVSA-N -1 0 345.370 3.527 20 0 EHADRM O=C([O-])CN(C(=O)Nc1ccc(C(F)(F)F)cc1)C1CCCC1 ZINC000321155607 1029507500 /nfs/dbraw/zinc/50/75/00/1029507500.db2.gz OQKVTXJTSZRHIA-UHFFFAOYSA-N -1 0 330.306 3.567 20 0 EHADRM Cc1nc2cc([N-]S(=O)(=O)c3cccc(Cl)c3F)ccc2o1 ZINC000078979601 1029509645 /nfs/dbraw/zinc/50/96/45/1029509645.db2.gz XARMLPPYDLHVIX-UHFFFAOYSA-N -1 0 340.763 3.730 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cc1 ZINC000643487311 1029594939 /nfs/dbraw/zinc/59/49/39/1029594939.db2.gz FPZUPABHWJDSLY-UHFFFAOYSA-N -1 0 345.342 3.948 20 0 EHADRM CC(C)[C@H]1N(C(=O)N=c2[n-]nc(/C=C\c3ccco3)s2)CC1(C)C ZINC000455066462 1029598124 /nfs/dbraw/zinc/59/81/24/1029598124.db2.gz WKNGPQZPTLVFCB-WBTMPAOCSA-N -1 0 346.456 3.622 20 0 EHADRM Cc1csc(-c2ccc(NC(=O)CC3(C(=O)[O-])CCC3)cc2)n1 ZINC000262490377 1029598991 /nfs/dbraw/zinc/59/89/91/1029598991.db2.gz JCPNUYSNYQTFJH-UHFFFAOYSA-N -1 0 330.409 3.702 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000262709056 1029626976 /nfs/dbraw/zinc/62/69/76/1029626976.db2.gz CCOCNQYPPCTHFR-FZKQIMNGSA-N -1 0 333.359 3.644 20 0 EHADRM Cc1cc(C)cc(C2=CCN(C(=O)CC3(C(=O)[O-])CCC3)CC2)c1 ZINC000262766399 1029631084 /nfs/dbraw/zinc/63/10/84/1029631084.db2.gz GOEKIAHCVDRMBC-UHFFFAOYSA-N -1 0 327.424 3.564 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000262856267 1029644310 /nfs/dbraw/zinc/64/43/10/1029644310.db2.gz IHPSSGRWHSJAHW-PBHICJAKSA-N -1 0 335.419 3.717 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000262956361 1029652995 /nfs/dbraw/zinc/65/29/95/1029652995.db2.gz NKNQNZXKCZSGAX-BBRMVZONSA-N -1 0 337.847 3.765 20 0 EHADRM Cc1ccsc1C(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC000263022433 1029656755 /nfs/dbraw/zinc/65/67/55/1029656755.db2.gz NYFLSTNGHZETNJ-UHFFFAOYSA-N -1 0 343.448 3.850 20 0 EHADRM C[C@H](Oc1ccccc1NC(=O)N(C)CCC(=O)[O-])c1ccccc1 ZINC000263042127 1029659600 /nfs/dbraw/zinc/65/96/00/1029659600.db2.gz MBRBGVDEESQONG-AWEZNQCLSA-N -1 0 342.395 3.765 20 0 EHADRM COc1c(Cl)cc(Cl)cc1CN1CCC[C@H](C(=O)[O-])[C@@H]1C ZINC000263099145 1029666202 /nfs/dbraw/zinc/66/62/02/1029666202.db2.gz WELBNXXBEYUECI-CABZTGNLSA-N -1 0 332.227 3.687 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)[C@@H](C)CSc1ccc(F)cc1 ZINC000263129330 1029669204 /nfs/dbraw/zinc/66/92/04/1029669204.db2.gz XQTXQTAYJVFMBZ-SJCJKPOMSA-N -1 0 341.448 3.560 20 0 EHADRM CC(C)COc1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc1Cl ZINC000263179278 1029671450 /nfs/dbraw/zinc/67/14/50/1029671450.db2.gz HBJGGLFHVNLGND-NEPJUHHUSA-N -1 0 339.819 3.814 20 0 EHADRM CC1=C(C(=O)NCc2cccc(-c3nc(C(=O)[O-])cs3)c2)CCC1 ZINC000263180079 1029671952 /nfs/dbraw/zinc/67/19/52/1029671952.db2.gz LNVUJRIRDZXZQW-UHFFFAOYSA-N -1 0 342.420 3.625 20 0 EHADRM COc1ccc(C[C@H](C)C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)cc1 ZINC000263196578 1029673053 /nfs/dbraw/zinc/67/30/53/1029673053.db2.gz JGNGBOJWZBJHMK-KBPBESRZSA-N -1 0 341.407 3.701 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)c1ccc2ccccc2c1 ZINC000263206929 1029674827 /nfs/dbraw/zinc/67/48/27/1029674827.db2.gz ZGEQTYJUGFQWGN-HLNWXESRSA-N -1 0 337.419 3.908 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000263245162 1029680014 /nfs/dbraw/zinc/68/00/14/1029680014.db2.gz SDZNHFPHKFIRML-INIZCTEOSA-N -1 0 345.370 3.557 20 0 EHADRM CCC(CC)(C(=O)NCc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000263249193 1029680229 /nfs/dbraw/zinc/68/02/29/1029680229.db2.gz SOEWXAMNYKYLJX-UHFFFAOYSA-N -1 0 331.437 3.821 20 0 EHADRM CCC[C@@H](CNC(=O)[C@H](CC)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000263253961 1029681393 /nfs/dbraw/zinc/68/13/93/1029681393.db2.gz VPGHHNXWEHXVIT-GXTWGEPZSA-N -1 0 345.361 3.816 20 0 EHADRM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)CC2(C(=O)[O-])CCC2)cc1 ZINC000263281208 1029683329 /nfs/dbraw/zinc/68/33/29/1029683329.db2.gz OKZVCBJHQZGECG-QAPCUYQASA-N -1 0 329.440 3.940 20 0 EHADRM C/C=C/C[C@H](NC(=O)Cc1csc2ccc(Cl)cc12)C(=O)[O-] ZINC000263279221 1029683334 /nfs/dbraw/zinc/68/33/34/1029683334.db2.gz OAIYZMIFFDHTFP-IBUXWKBASA-N -1 0 337.828 3.633 20 0 EHADRM C/C=C/C[C@H](NC(=O)CCCCc1nc2ccccc2s1)C(=O)[O-] ZINC000263315139 1029687887 /nfs/dbraw/zinc/68/78/87/1029687887.db2.gz YUKAHXCUVARVGB-HSWBROFVSA-N -1 0 346.452 3.545 20 0 EHADRM CC(C)c1ncc(Cl)c(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)n1 ZINC000263349475 1029690004 /nfs/dbraw/zinc/69/00/04/1029690004.db2.gz VDABXHABCMSLCX-JTQLQIEISA-N -1 0 347.802 3.694 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N(Cc2ccco2)C2CCCC2)c1 ZINC000263363275 1029691426 /nfs/dbraw/zinc/69/14/26/1029691426.db2.gz ZALKXEIHJVCUHV-UHFFFAOYSA-N -1 0 327.380 3.871 20 0 EHADRM Cc1ccc(SC2(C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])CCCC2)cc1 ZINC000263442230 1029699620 /nfs/dbraw/zinc/69/96/20/1029699620.db2.gz MNNMJYNQZMRCER-KGLIPLIRSA-N -1 0 335.469 3.625 20 0 EHADRM Cc1cccc(Oc2ccccc2C(=O)N[C@H](C)[C@@H](C)C(=O)[O-])c1 ZINC000263506990 1029705245 /nfs/dbraw/zinc/70/52/45/1029705245.db2.gz BJWXCZCXVNEYOG-ZIAGYGMSSA-N -1 0 327.380 3.626 20 0 EHADRM O=C([O-])c1ccc(CNc2cccc(C(=O)N3CCCCC3)c2)cc1 ZINC000263504600 1029706045 /nfs/dbraw/zinc/70/60/45/1029706045.db2.gz WQOKNUCHUBLVLH-UHFFFAOYSA-N -1 0 338.407 3.623 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)[C@H](C)Cc1ccccc1Cl ZINC000263522018 1029706575 /nfs/dbraw/zinc/70/65/75/1029706575.db2.gz HQVPIOGCIOBLRR-PXAZEXFGSA-N -1 0 325.836 3.524 20 0 EHADRM COCCn1ccc2ccc(NC(=O)c3c([O-])cc(F)cc3F)cc21 ZINC000092718095 1029709660 /nfs/dbraw/zinc/70/96/60/1029709660.db2.gz HXZXSFHOGLKENA-UHFFFAOYSA-N -1 0 346.333 3.524 20 0 EHADRM CN(C[C@@H]1OCCc2ccccc21)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000278229579 1029741069 /nfs/dbraw/zinc/74/10/69/1029741069.db2.gz VBHGAQCJFVMPPG-INIZCTEOSA-N -1 0 349.789 3.571 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)CCc2ccccc2C)s[n-]1 ZINC000472288861 1029876917 /nfs/dbraw/zinc/87/69/17/1029876917.db2.gz YRVGFYIODIMOGX-UHFFFAOYSA-N -1 0 343.477 3.877 20 0 EHADRM CC(C)c1nc(/C=C/c2cccc(-n3cccn3)c2)ncc1C(=O)[O-] ZINC000531858223 1029915391 /nfs/dbraw/zinc/91/53/91/1029915391.db2.gz JODQWOBYOMOMIS-BQYQJAHWSA-N -1 0 334.379 3.654 20 0 EHADRM CO[C@@H]1CCC[C@@H]1Sc1n[n-]c(=Nc2ccccc2F)s1 ZINC000583512107 1029999956 /nfs/dbraw/zinc/99/99/56/1029999956.db2.gz PMDORZTVFFWFBP-NEPJUHHUSA-N -1 0 325.434 3.502 20 0 EHADRM Cc1cc(C(=O)N[C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)c(C)o1 ZINC000455883990 1030026195 /nfs/dbraw/zinc/02/61/95/1030026195.db2.gz AKSHTJJADFDMKA-ZDUSSCGKSA-N -1 0 341.285 3.628 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N[C@H](Cc1cccc(Cl)c1)C(=O)[O-] ZINC000455928040 1030030235 /nfs/dbraw/zinc/03/02/35/1030030235.db2.gz OYKURTLSQQFOSL-OAHLLOKOSA-N -1 0 349.814 3.791 20 0 EHADRM COc1cc(C)cc([N-]S(=O)(=O)c2c(F)cccc2Cl)c1C ZINC000447254725 1030046481 /nfs/dbraw/zinc/04/64/81/1030046481.db2.gz CQPSYYGHBXLIDY-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM COCCSCCCSc1n[n-]c(=Nc2ccccc2)s1 ZINC000447284483 1030065786 /nfs/dbraw/zinc/06/57/86/1030065786.db2.gz HYNKXUPHKDZZAZ-UHFFFAOYSA-N -1 0 341.527 3.565 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1cc(C)c(Cl)cc1OC ZINC000120570281 1030066958 /nfs/dbraw/zinc/06/69/58/1030066958.db2.gz FTTCGNSSFFPYNU-UHFFFAOYSA-N -1 0 347.845 3.528 20 0 EHADRM CCc1cc(=O)[nH]c(CN[C@@H](c2ccccc2)c2ccc(F)cc2)n1 ZINC000120600165 1030069951 /nfs/dbraw/zinc/06/99/51/1030069951.db2.gz ZDTJLPOQEINOLQ-FQEVSTJZSA-N -1 0 337.398 3.763 20 0 EHADRM CC(C)=C[C@H]1[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)C1(C)C ZINC000042308658 1030111619 /nfs/dbraw/zinc/11/16/19/1030111619.db2.gz GFNPKWYZZMOQSQ-JKSUJKDBSA-N -1 0 346.452 3.583 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)c(F)c1 ZINC000481978162 1030142984 /nfs/dbraw/zinc/14/29/84/1030142984.db2.gz ZSJWJBUWMIBPCU-UHFFFAOYSA-N -1 0 345.342 3.579 20 0 EHADRM FC(F)(F)Oc1ccc(CN=c2[n-]nc(-c3ccccc3)o2)cc1 ZINC000508597389 1030189754 /nfs/dbraw/zinc/18/97/54/1030189754.db2.gz HJKYWTUQXKKCHL-UHFFFAOYSA-N -1 0 335.285 3.669 20 0 EHADRM Fc1ccc(CN=c2[n-]nc(-c3ccccc3)o2)c(Br)c1 ZINC000508597922 1030215563 /nfs/dbraw/zinc/21/55/63/1030215563.db2.gz JSAYIDPQFFATBC-UHFFFAOYSA-N -1 0 348.175 3.672 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)c2cccc3ccccc32)c1 ZINC000532003649 1030219521 /nfs/dbraw/zinc/21/95/21/1030219521.db2.gz SMNDPHJWYHMZAD-IBGZPJMESA-N -1 0 349.386 3.794 20 0 EHADRM C[C@H]1CCC[C@H](C)N(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])C1 ZINC000447517316 1030241799 /nfs/dbraw/zinc/24/17/99/1030241799.db2.gz RVPPMQJQQVFJII-STQMWFEESA-N -1 0 347.846 3.882 20 0 EHADRM O=C(Nc1ccc(-n2ccnc2)c(F)c1)c1ccc([O-])c(Cl)c1 ZINC000194387016 1030494926 /nfs/dbraw/zinc/49/49/26/1030494926.db2.gz ANSIBBDTPZFDKY-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)C[C@@H](C)C2CCCCC2)c1 ZINC000532260452 1030508989 /nfs/dbraw/zinc/50/89/89/1030508989.db2.gz KVPVBLZVYYLPTQ-KDOFPFPSSA-N -1 0 347.455 3.934 20 0 EHADRM O=C([O-])[C@H](CC(F)F)NC(=O)Nc1cccc(-c2cccs2)c1 ZINC000583712013 1030521481 /nfs/dbraw/zinc/52/14/81/1030521481.db2.gz BCUMVKMPKJAISL-NSHDSACASA-N -1 0 340.351 3.645 20 0 EHADRM O=S(=O)([N-]c1cccc2ccncc21)c1cnc2ccsc2c1 ZINC000532290794 1030525756 /nfs/dbraw/zinc/52/57/56/1030525756.db2.gz ADGLTMNFHMNBLW-UHFFFAOYSA-N -1 0 341.417 3.645 20 0 EHADRM Cc1cc(Br)c(O)c(NC(=O)[C@H]2Cc3ccccc32)c1 ZINC000482609901 1030574133 /nfs/dbraw/zinc/57/41/33/1030574133.db2.gz ZKDWZSZLVODKLY-LBPRGKRZSA-N -1 0 332.197 3.742 20 0 EHADRM COC(=O)c1c[nH]c(SCc2cccc(Br)c2C)n1 ZINC000193544649 1030581890 /nfs/dbraw/zinc/58/18/90/1030581890.db2.gz NSALEFQVZMNHIM-UHFFFAOYSA-N -1 0 341.230 3.560 20 0 EHADRM CCc1cccnc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000447899869 1030592879 /nfs/dbraw/zinc/59/28/79/1030592879.db2.gz XNGVMVQRJSMKGZ-UHFFFAOYSA-N -1 0 348.321 3.603 20 0 EHADRM Cc1cnc([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)s1 ZINC000615181357 1030595676 /nfs/dbraw/zinc/59/56/76/1030595676.db2.gz XQGUWXQVCZDZTR-UHFFFAOYSA-N -1 0 337.253 3.868 20 0 EHADRM CCSc1n[n-]c(=NCc2ccc(F)cc2Br)s1 ZINC000447957330 1030627843 /nfs/dbraw/zinc/62/78/43/1030627843.db2.gz YZOMPSQHRHJPBT-UHFFFAOYSA-N -1 0 348.266 3.586 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)N(Cc1ccco1)Cc1ccccc1 ZINC000448151358 1030771538 /nfs/dbraw/zinc/77/15/38/1030771538.db2.gz MVKHFFQYQHMEAG-UHFFFAOYSA-N -1 0 348.406 3.603 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000448155987 1030780857 /nfs/dbraw/zinc/78/08/57/1030780857.db2.gz NQBDNDBINGUXSF-AEFFLSMTSA-N -1 0 336.439 3.624 20 0 EHADRM Cc1cc(C)c(Nc2ccc(N)c(Cl)c2)c(S(=O)(=O)[O-])c1 ZINC001212118826 1030788677 /nfs/dbraw/zinc/78/86/77/1030788677.db2.gz FCSGJZNYHYWQGX-UHFFFAOYSA-N -1 0 326.805 3.529 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(c2ncc(Cl)cc2F)CC1 ZINC000668169855 1030834338 /nfs/dbraw/zinc/83/43/38/1030834338.db2.gz HKEHHJYMNOQGOG-UHFFFAOYSA-N -1 0 334.778 3.956 20 0 EHADRM COc1cccc(-n2nc(C)cc2Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC001211599611 1030863333 /nfs/dbraw/zinc/86/33/33/1030863333.db2.gz PXKCPYWGLZULRQ-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM Cc1ccc(-n2cc(N)c3cc(Br)ccc32)cc1C(=O)[O-] ZINC001211599694 1030867680 /nfs/dbraw/zinc/86/76/80/1030867680.db2.gz UJXCWRWGCOLMQR-UHFFFAOYSA-N -1 0 345.196 3.982 20 0 EHADRM Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ncccc1[O-] ZINC000123089067 1030894684 /nfs/dbraw/zinc/89/46/84/1030894684.db2.gz JJMIWPQVPJNRJU-UHFFFAOYSA-N -1 0 347.374 3.600 20 0 EHADRM CC[C@H]1CCN1Cc1cc(Br)c([O-])c(Br)c1 ZINC000668189635 1030896942 /nfs/dbraw/zinc/89/69/42/1030896942.db2.gz KINDKNGGOKXXQZ-VIFPVBQESA-N -1 0 349.066 3.902 20 0 EHADRM COc1cccnc1[N-]S(=O)(=O)c1cc(C(C)C)ccc1Cl ZINC000551018413 1030936852 /nfs/dbraw/zinc/93/68/52/1030936852.db2.gz FWZIKPYMBLAQJG-UHFFFAOYSA-N -1 0 340.832 3.668 20 0 EHADRM C[C@H]1C[C@H](N=c2[n-]nc(-c3cc(Cl)cc(Cl)c3)s2)CCO1 ZINC000537674253 1030944427 /nfs/dbraw/zinc/94/44/27/1030944427.db2.gz YBVAEPKNUIZDME-QPUJVOFHSA-N -1 0 344.267 3.913 20 0 EHADRM C[C@@H](NC(=O)N=c1ccc(C2CC2)n[n-]1)c1cc2ccccc2s1 ZINC000527497164 1030949886 /nfs/dbraw/zinc/94/98/86/1030949886.db2.gz PBBSDNVSTKVPBB-LLVKDONJSA-N -1 0 338.436 3.873 20 0 EHADRM CC(C)CN(C(=O)N=c1ccc(-c2ccccc2)n[n-]1)C1CCCC1 ZINC000448351342 1030999792 /nfs/dbraw/zinc/99/97/92/1030999792.db2.gz QPTMFADVJMTTJC-UHFFFAOYSA-N -1 0 338.455 3.998 20 0 EHADRM COCc1c(Br)cccc1NC1CCC(C(=O)[O-])CC1 ZINC000261850696 1031027790 /nfs/dbraw/zinc/02/77/90/1031027790.db2.gz WRGKBCJPJNXWCK-UHFFFAOYSA-N -1 0 342.233 3.651 20 0 EHADRM CCOC(=O)c1nc(Cl)sc1Nc1ccc(C)c(C(=O)[O-])c1 ZINC001211601811 1031048023 /nfs/dbraw/zinc/04/80/23/1031048023.db2.gz MHXDAAYLKROYMB-UHFFFAOYSA-N -1 0 340.788 3.723 20 0 EHADRM CC(C)c1cc([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)no1 ZINC000476927160 1031072079 /nfs/dbraw/zinc/07/20/79/1031072079.db2.gz WMUGVXKGIITVKV-UHFFFAOYSA-N -1 0 348.346 3.759 20 0 EHADRM CC(C)C[C@@H]1C[C@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)CCO1 ZINC000278492654 1031098861 /nfs/dbraw/zinc/09/88/61/1031098861.db2.gz KAVFAXYLTSOFHQ-VXGBXAGGSA-N -1 0 329.799 3.508 20 0 EHADRM CCCOc1ccc(NC(=O)N[C@](C)(CC)C(=O)[O-])cc1Cl ZINC000583909777 1031105432 /nfs/dbraw/zinc/10/54/32/1031105432.db2.gz RMLKPFZTRCCZAG-OAHLLOKOSA-N -1 0 328.796 3.504 20 0 EHADRM Cc1cc(=NC(=O)c2ccc3nc(-c4ccccc4)oc3c2)[n-]nc1C ZINC000483546103 1031214095 /nfs/dbraw/zinc/21/40/95/1031214095.db2.gz RYANRLLQXQDINC-UHFFFAOYSA-N -1 0 344.374 3.576 20 0 EHADRM Cc1nc(N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)ccc1Br ZINC000650776349 1031253491 /nfs/dbraw/zinc/25/34/91/1031253491.db2.gz VMJALOZUWHKMIO-GXTWGEPZSA-N -1 0 347.212 3.878 20 0 EHADRM COc1c(C)ccc([N-]S(=O)(=O)c2cc(Cl)ccc2F)c1C ZINC000551476877 1031375339 /nfs/dbraw/zinc/37/53/39/1031375339.db2.gz CBEXERCHRBWZDZ-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM CON(C)C(=O)c1c(Cl)cccc1Nc1ccc(C)c(C(=O)[O-])c1 ZINC001211606159 1031381287 /nfs/dbraw/zinc/38/12/87/1031381287.db2.gz INZOUMBNZCRNEI-UHFFFAOYSA-N -1 0 348.786 3.724 20 0 EHADRM C[C@H](CC(=O)N(C)[C@@H](C)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000584006094 1031396887 /nfs/dbraw/zinc/39/68/87/1031396887.db2.gz YRBQFIYFUKAOEC-MNOVXSKESA-N -1 0 331.334 3.521 20 0 EHADRM Cc1ccccc1-c1nc(=N[C@H](CCCO)c2ccccc2)s[n-]1 ZINC000527902427 1031427993 /nfs/dbraw/zinc/42/79/93/1031427993.db2.gz NTYPVCBXXGSNDI-QGZVFWFLSA-N -1 0 339.464 3.861 20 0 EHADRM Cc1oc2ccccc2c1CNC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000668303465 1031428965 /nfs/dbraw/zinc/42/89/65/1031428965.db2.gz IXCICZWIGVPNEV-UHFFFAOYSA-N -1 0 329.396 3.639 20 0 EHADRM CC[C@@H](N=c1nc(-c2ccccc2C)[n-]s1)c1c(C)nn(C)c1C ZINC000527909501 1031438150 /nfs/dbraw/zinc/43/81/50/1031438150.db2.gz JWNGCOHBKMZRGP-OAHLLOKOSA-N -1 0 341.484 3.849 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(F)c([O-])c(Cl)c2)c2ccc(F)cc2O1 ZINC000194759004 1031485694 /nfs/dbraw/zinc/48/56/94/1031485694.db2.gz RADBECTUTQVJEL-QMMMGPOBSA-N -1 0 339.725 3.752 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N(Cc1c(Cl)cccc1Cl)C1CC1 ZINC000668323911 1031489304 /nfs/dbraw/zinc/48/93/04/1031489304.db2.gz GKTCUQWSVYRQPG-JTQLQIEISA-N -1 0 344.238 3.985 20 0 EHADRM COc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1O ZINC000484260761 1031507826 /nfs/dbraw/zinc/50/78/26/1031507826.db2.gz YSMAZLIVMJNXTC-UHFFFAOYSA-N -1 0 348.207 3.508 20 0 EHADRM COC(=O)c1cc(F)c(Nc2ccc(C)c(C(=O)[O-])c2)c(C)c1F ZINC001211607964 1031545893 /nfs/dbraw/zinc/54/58/93/1031545893.db2.gz GEUUXXNYDCIKDK-UHFFFAOYSA-N -1 0 335.306 3.810 20 0 EHADRM C[C@H](NCc1cscc1C(F)(F)F)c1ncc(C(=O)[O-])s1 ZINC000584053582 1031582184 /nfs/dbraw/zinc/58/21/84/1031582184.db2.gz QPSUGAJVHJTSEX-LURJTMIESA-N -1 0 336.360 3.772 20 0 EHADRM COc1ccc(CCC(=O)[O-])cc1NCc1nccc2c1CCCC2 ZINC000904013518 1031633664 /nfs/dbraw/zinc/63/36/64/1031633664.db2.gz FLUOBAUNDAYLLF-UHFFFAOYSA-N -1 0 340.423 3.598 20 0 EHADRM Cc1ccc(/C=C/CC(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)cc1 ZINC000084756024 1031685429 /nfs/dbraw/zinc/68/54/29/1031685429.db2.gz JMBXZZZAPAPTRJ-NSCUHMNNSA-N -1 0 335.363 3.793 20 0 EHADRM CC[C@@H](NCc1ccccc1OC1CCCC1)c1nc(C(=O)[O-])c[nH]1 ZINC000904063697 1031688982 /nfs/dbraw/zinc/68/89/82/1031688982.db2.gz BXYCIXCECLGHSC-OAHLLOKOSA-N -1 0 343.427 3.670 20 0 EHADRM COC1([C@@H](NCc2ccc(-c3ccccc3Cl)o2)C(=O)[O-])CCC1 ZINC000904048005 1031696342 /nfs/dbraw/zinc/69/63/42/1031696342.db2.gz LZRVZTWTSIZIEH-INIZCTEOSA-N -1 0 349.814 3.712 20 0 EHADRM Cc1[nH]c2c(cc(C)cc2CNC(=O)Cc2ccc(O)c(F)c2)c1C ZINC000448800816 1031709406 /nfs/dbraw/zinc/70/94/06/1031709406.db2.gz SBPCPILTWOTKDV-UHFFFAOYSA-N -1 0 340.398 3.797 20 0 EHADRM CCO[C@H](c1noc(-c2cccc(Br)c2[O-])n1)C(C)C ZINC000904121864 1031757355 /nfs/dbraw/zinc/75/73/55/1031757355.db2.gz RJUNMRLCHIYJPJ-LBPRGKRZSA-N -1 0 341.205 3.938 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@@H](C)c2c(F)cccc2Cl)s1 ZINC000477741029 1031820772 /nfs/dbraw/zinc/82/07/72/1031820772.db2.gz HYZKQCLEDQIWSZ-QMMMGPOBSA-N -1 0 342.827 3.588 20 0 EHADRM CC1CCN(c2ccc(N[C@H]3C[C@H](NC(=O)[O-])C34CCC4)cc2)CC1 ZINC000904199592 1031846016 /nfs/dbraw/zinc/84/60/16/1031846016.db2.gz LALMQLZXSHNMHW-ROUUACIJSA-N -1 0 343.471 3.914 20 0 EHADRM Cc1ccc(N[C@@H]2C[C@H](NC(=O)[O-])C23CCC3)cc1OC(F)F ZINC000904200703 1031847573 /nfs/dbraw/zinc/84/75/73/1031847573.db2.gz ZVDVASXTZNTIRE-OLZOCXBDSA-N -1 0 326.343 3.587 20 0 EHADRM Cc1sc(-c2ccc(OC[C@H]3CCCCO3)cc2)nc1C(=O)[O-] ZINC000565962992 1031853326 /nfs/dbraw/zinc/85/33/26/1031853326.db2.gz MRCKXWOOFTVTCY-CQSZACIVSA-N -1 0 333.409 3.765 20 0 EHADRM O=C([O-])N[C@H]1C[C@H](Nc2cc(Cl)cc3cccnc32)C12CCC2 ZINC000904230082 1031866901 /nfs/dbraw/zinc/86/69/01/1031866901.db2.gz XXWBVSVOWMBGJW-KBPBESRZSA-N -1 0 331.803 3.879 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ncccc2-c2ccccc2)c(F)c1 ZINC000537744168 1031885179 /nfs/dbraw/zinc/88/51/79/1031885179.db2.gz VJIZXUXSNUACKM-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cncc3ccccc32)cc1Cl ZINC000533938769 1031950236 /nfs/dbraw/zinc/95/02/36/1031950236.db2.gz FZBFOVJCYVITBD-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM O=C([O-])c1cc(-c2ccc(SC3CCOCC3)nc2)ccc1F ZINC000584242865 1031998195 /nfs/dbraw/zinc/99/81/95/1031998195.db2.gz HIDMPMDDFDVVGW-UHFFFAOYSA-N -1 0 333.384 3.857 20 0 EHADRM CC(C)(C(=O)NC[C@@](C)(C(=O)[O-])c1ccc(F)cc1)C1CCCC1 ZINC000448995559 1032003862 /nfs/dbraw/zinc/00/38/62/1032003862.db2.gz QORFDRJQYLVCJP-LJQANCHMSA-N -1 0 335.419 3.501 20 0 EHADRM Cc1nc(C(=O)N2CCCC3(C2)CCCCCC3)ccc1C(=O)[O-] ZINC000448986789 1032019578 /nfs/dbraw/zinc/01/95/78/1032019578.db2.gz UCSRXCKYGPYHCV-UHFFFAOYSA-N -1 0 330.428 3.665 20 0 EHADRM Cc1cccc(C2(C(=O)N3CC[C@H](C(=O)[O-])[C@@H](C)C3)CCCCC2)c1 ZINC000263063848 1033296671 /nfs/dbraw/zinc/29/66/71/1033296671.db2.gz SVGJDGZHYQJJES-WMZOPIPTSA-N -1 0 343.467 3.766 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)NCCC1=CCCCC1 ZINC000574625103 1033325191 /nfs/dbraw/zinc/32/51/91/1033325191.db2.gz VEUYHXWLXIUAFL-ROUUACIJSA-N -1 0 342.439 3.877 20 0 EHADRM CC(C)CCc1n[n-]c(=NCc2ccc(F)c(Br)c2)o1 ZINC000537488985 1033367689 /nfs/dbraw/zinc/36/76/89/1033367689.db2.gz AVZSFMVPCZAVJV-UHFFFAOYSA-N -1 0 342.212 3.594 20 0 EHADRM Fc1cccc(Cc2n[n-]c(=NCc3c(F)cccc3Cl)o2)c1 ZINC000537490187 1033389809 /nfs/dbraw/zinc/38/98/09/1033389809.db2.gz AGNJZAWQLLBXJY-UHFFFAOYSA-N -1 0 335.741 3.626 20 0 EHADRM Cc1ccc(-c2nc(C(=O)N3CCC[C@H]3CC(=O)[O-])cs2)c(C)c1 ZINC000455872019 1033437669 /nfs/dbraw/zinc/43/76/69/1033437669.db2.gz KVKNNFJAIZYDKK-ZDUSSCGKSA-N -1 0 344.436 3.506 20 0 EHADRM O=C(c1ccc2ccc(O)cc2c1O)N1CCC[C@]2(CC2(F)F)C1 ZINC000898294963 1033439151 /nfs/dbraw/zinc/43/91/51/1033439151.db2.gz RCVIJCDGNMSNSA-KRWDZBQOSA-N -1 0 333.334 3.512 20 0 EHADRM Cc1ccc(Cc2n[n-]c(=NC(=O)c3ccc4c(c3)CCC4)s2)cc1 ZINC000594570595 1033456631 /nfs/dbraw/zinc/45/66/31/1033456631.db2.gz OHWROHZBMPKTLZ-UHFFFAOYSA-N -1 0 349.459 3.600 20 0 EHADRM COc1ccccc1OCCCN=c1nc(-c2ccccc2)[n-]s1 ZINC000608082333 1033466164 /nfs/dbraw/zinc/46/61/64/1033466164.db2.gz JMEAHVGSRJPJCY-UHFFFAOYSA-N -1 0 341.436 3.517 20 0 EHADRM c1ccc(-c2noc(=NCc3ccc(-c4cccnc4)cc3)[n-]2)cc1 ZINC000608097725 1033491520 /nfs/dbraw/zinc/49/15/20/1033491520.db2.gz VQRPPQMZFKMQGC-UHFFFAOYSA-N -1 0 328.375 3.833 20 0 EHADRM O=S(=O)([N-]c1nc2ccccc2[nH]1)c1cc(Cl)sc1Cl ZINC000105781263 1033497267 /nfs/dbraw/zinc/49/72/67/1033497267.db2.gz DQVSLYNQQFYVFD-UHFFFAOYSA-N -1 0 348.236 3.732 20 0 EHADRM CCOc1cccc(NC(=O)c2ccc(Br)cc2[O-])c1 ZINC000044491138 1033499241 /nfs/dbraw/zinc/49/92/41/1033499241.db2.gz SPQIADMJFPEOGF-UHFFFAOYSA-N -1 0 336.185 3.806 20 0 EHADRM O=C([O-])c1ccc(-c2cc(F)ccc2OC[C@H]2CCCCO2)cn1 ZINC000516315665 1033504697 /nfs/dbraw/zinc/50/46/97/1033504697.db2.gz REOOFXODHFNXIR-CQSZACIVSA-N -1 0 331.343 3.534 20 0 EHADRM CCCCOc1cc(CN=c2[n-]nc(C(C)C)s2)ccc1OC ZINC000537505788 1033512774 /nfs/dbraw/zinc/51/27/74/1033512774.db2.gz IRLQZTYTUJGDEQ-UHFFFAOYSA-N -1 0 335.473 3.883 20 0 EHADRM CSC1(C(=O)N=c2ccc(-c3ccc(Cl)s3)n[n-]2)CCC1 ZINC000598867366 1033537233 /nfs/dbraw/zinc/53/72/33/1033537233.db2.gz CEXCNOSUCRLBKE-UHFFFAOYSA-N -1 0 339.873 3.505 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000574813805 1033568656 /nfs/dbraw/zinc/56/86/56/1033568656.db2.gz LUBLZDSVLMCNAT-VVVCHXIZSA-N -1 0 335.400 3.532 20 0 EHADRM Cc1ccc(Cc2n[n-]c(=NC(=O)N[C@@H]3CCCC[C@@H]3C)s2)cc1 ZINC000594942028 1033589650 /nfs/dbraw/zinc/58/96/50/1033589650.db2.gz BBHTUBZVOZWSJZ-DZGCQCFKSA-N -1 0 344.484 3.559 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cccc(OC3CCCCC3)c2)C[C@@H]1C(=O)[O-] ZINC000574878121 1033670788 /nfs/dbraw/zinc/67/07/88/1033670788.db2.gz PCFSJWNSIOWFTK-KDOFPFPSSA-N -1 0 345.439 3.581 20 0 EHADRM CCc1cccc(S(=O)(=O)Nc2ccc(C)c(NC(C)=O)c2C)c1 ZINC000080939067 1033687303 /nfs/dbraw/zinc/68/73/03/1033687303.db2.gz PCSRTVWCVDYIQV-UHFFFAOYSA-N -1 0 346.452 3.625 20 0 EHADRM C[C@@H](Cc1ccco1)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000595244468 1033718393 /nfs/dbraw/zinc/71/83/93/1033718393.db2.gz ZSWLKOABQGMTSW-ZDUSSCGKSA-N -1 0 347.436 3.805 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN(C(=O)c2c([O-])cc(F)cc2F)C1 ZINC000603551685 1033745248 /nfs/dbraw/zinc/74/52/48/1033745248.db2.gz GGLXDKAKVNGCMT-LJQANCHMSA-N -1 0 331.362 3.864 20 0 EHADRM CC(C)C1CCN(C(=O)N=c2nc(-c3ccccc3)[n-]s2)CC1 ZINC000475663165 1033843732 /nfs/dbraw/zinc/84/37/32/1033843732.db2.gz CDCKEOVKFBVYIZ-UHFFFAOYSA-N -1 0 330.457 3.527 20 0 EHADRM Cc1ccccc1C1(NC(=O)NCc2ccc(O)c(F)c2)CCC1 ZINC000650900509 1033856338 /nfs/dbraw/zinc/85/63/38/1033856338.db2.gz IFLSXAAEYUQWPB-UHFFFAOYSA-N -1 0 328.387 3.718 20 0 EHADRM O=C(Nc1c(O)cccc1F)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000081781747 1033882369 /nfs/dbraw/zinc/88/23/69/1033882369.db2.gz DLCRBXICIUOZOX-UHFFFAOYSA-N -1 0 339.326 3.711 20 0 EHADRM CCc1ncc([N-]S(=O)(=O)c2ccc(C(C)(C)CC)cc2)cn1 ZINC000533331979 1033886297 /nfs/dbraw/zinc/88/62/97/1033886297.db2.gz JOADAKIHCPLHHX-UHFFFAOYSA-N -1 0 333.457 3.527 20 0 EHADRM CC[C@@H](Nc1ccccc1)C(=O)N=c1[nH][n-]c(-c2ccc(C)o2)c1C ZINC000575207187 1033890208 /nfs/dbraw/zinc/89/02/08/1033890208.db2.gz RMLKVOCVBVBNNE-OAHLLOKOSA-N -1 0 338.411 3.538 20 0 EHADRM COC(=O)[C@H]1CCc2cc(Nc3ccc(C(=O)[O-])cc3C)ccc21 ZINC001211628810 1033914483 /nfs/dbraw/zinc/91/44/83/1033914483.db2.gz IZJWTYXDVCVLIE-INIZCTEOSA-N -1 0 325.364 3.640 20 0 EHADRM CC(C)c1cc(Sc2n[n-]c(=Nc3ccccc3F)s2)ncn1 ZINC000599442407 1033927431 /nfs/dbraw/zinc/92/74/31/1033927431.db2.gz IRYXCQGISIUICB-UHFFFAOYSA-N -1 0 347.444 3.907 20 0 EHADRM CCc1cccc(C)c1N=c1[n-]nc(Sc2cc(C)ncn2)s1 ZINC000599448464 1033932021 /nfs/dbraw/zinc/93/20/21/1033932021.db2.gz DRKALNYGGCBWED-UHFFFAOYSA-N -1 0 343.481 3.824 20 0 EHADRM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1cccc2c[nH]nc21 ZINC000460446268 1034014606 /nfs/dbraw/zinc/01/46/06/1034014606.db2.gz VUPLRJUFQNJUCB-UHFFFAOYSA-N -1 0 329.425 3.661 20 0 EHADRM Cc1ccc(-c2[n-][nH]c(=NC(=O)[C@@H]3C[C@H]3c3ccsc3)c2C)o1 ZINC000529480116 1034044392 /nfs/dbraw/zinc/04/43/92/1034044392.db2.gz AMWKXJPCIDWILD-QWHCGFSZSA-N -1 0 327.409 3.512 20 0 EHADRM Cc1oc([C@H](C)N2C[C@@H](c3ccccc3)O[C@@H](C)C2)cc1C(=O)[O-] ZINC000517035206 1034120441 /nfs/dbraw/zinc/12/04/41/1034120441.db2.gz HDDUTRVIWQIKNV-LXIYXOSZSA-N -1 0 329.396 3.809 20 0 EHADRM CC(=O)c1ccc(NC(=O)c2cccc(Br)c2[O-])cc1C ZINC000534130906 1034172465 /nfs/dbraw/zinc/17/24/65/1034172465.db2.gz SXBJXZBXDVBGSX-UHFFFAOYSA-N -1 0 348.196 3.918 20 0 EHADRM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccnn2[C@H](C)C2CC2)cc1 ZINC000534205505 1034231322 /nfs/dbraw/zinc/23/13/22/1034231322.db2.gz HVOKORCDNPYDTB-CQSZACIVSA-N -1 0 347.484 3.853 20 0 EHADRM Cc1cc(S(=O)(=O)[O-])c(Nc2ccc(N)c(Cl)c2)cc1Cl ZINC001212116086 1034286272 /nfs/dbraw/zinc/28/62/72/1034286272.db2.gz VFXMTIHIYLUPAS-UHFFFAOYSA-N -1 0 347.223 3.874 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)C2CC(O)(CCC(C)(C)C)C2)c1 ZINC000450433269 1034321094 /nfs/dbraw/zinc/32/10/94/1034321094.db2.gz DSLACBWIZQIAOL-UHFFFAOYSA-N -1 0 333.428 3.501 20 0 EHADRM CCCCN(CC)c1ccc(C(=O)N=c2[n-]nc(C3CC3)s2)cc1 ZINC000548882660 1034367802 /nfs/dbraw/zinc/36/78/02/1034367802.db2.gz RPDGZWUTRUBGTC-UHFFFAOYSA-N -1 0 344.484 3.716 20 0 EHADRM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc2sccc2c1 ZINC000761193137 1034379283 /nfs/dbraw/zinc/37/92/83/1034379283.db2.gz BCGMDRKVFMLSRF-LBPRGKRZSA-N -1 0 345.445 3.722 20 0 EHADRM O=C(Nc1ccc2oc(=O)ccc2c1)c1cc(F)cc(Cl)c1[O-] ZINC000177090783 1034448211 /nfs/dbraw/zinc/44/82/11/1034448211.db2.gz XGMLEDQGTWGVQG-UHFFFAOYSA-N -1 0 333.702 3.543 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)C1CCC(C(=O)[O-])CC1 ZINC000450532385 1034466218 /nfs/dbraw/zinc/46/62/18/1034466218.db2.gz OSTGMJHURVXYIT-KUQKPQIMSA-N -1 0 329.440 3.672 20 0 EHADRM O=C(N=c1nc(-c2ccccc2)[n-]s1)c1cc2cc(F)ccc2o1 ZINC000605085289 1034623478 /nfs/dbraw/zinc/62/34/78/1034623478.db2.gz FUCZNNRJMMZYGL-UHFFFAOYSA-N -1 0 339.351 3.765 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-])c1cccc(Cl)c1Cl ZINC000605165271 1034641744 /nfs/dbraw/zinc/64/17/44/1034641744.db2.gz YEDZHDLXCFOVBM-MVWJERBFSA-N -1 0 342.222 3.838 20 0 EHADRM CC(=O)CCCCCSc1n[n-]c(=NC2CCCCC2)s1 ZINC000450653797 1034645701 /nfs/dbraw/zinc/64/57/01/1034645701.db2.gz QVMJVFJDAOTLPB-UHFFFAOYSA-N -1 0 327.519 3.946 20 0 EHADRM CC(C)c1nnc(CSc2n[n-]c(=Nc3ccccc3)s2)s1 ZINC000450685943 1034687018 /nfs/dbraw/zinc/68/70/18/1034687018.db2.gz TXBKTJFTXCHTCA-UHFFFAOYSA-N -1 0 349.510 3.971 20 0 EHADRM COC(=O)c1cc(C(=O)Nc2nc(C3CCCCCC3)cs2)no1 ZINC000601702594 1034704214 /nfs/dbraw/zinc/70/42/14/1034704214.db2.gz OTCIZSLXNWNHSQ-UHFFFAOYSA-N -1 0 349.412 3.608 20 0 EHADRM Cc1[nH]nc([N-]S(=O)(=O)c2cc(C)ccc2C)c1-c1ccccc1 ZINC000534680927 1034792275 /nfs/dbraw/zinc/79/22/75/1034792275.db2.gz ASTZMPNIUWCOMB-UHFFFAOYSA-N -1 0 341.436 3.803 20 0 EHADRM COc1cc(C)c(-c2ccc(O[C@@H]3CCOC3)cc2)cc1C(=O)[O-] ZINC000515171501 1034867901 /nfs/dbraw/zinc/86/79/01/1034867901.db2.gz QFDXFOGPZHRUJI-OAHLLOKOSA-N -1 0 328.364 3.537 20 0 EHADRM CC(C)c1ccc(-c2nc(C[S@@](=O)[C@@H](C)C(=O)[O-])cs2)cc1 ZINC000612429557 1034915392 /nfs/dbraw/zinc/91/53/92/1034915392.db2.gz QEEBQANDHXSRPI-KPWVOAKYSA-N -1 0 337.466 3.655 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(C3CCOCC3)c2)s1 ZINC000530144003 1035003944 /nfs/dbraw/zinc/00/39/44/1035003944.db2.gz DBNMNFWUCZTACL-UHFFFAOYSA-N -1 0 337.466 3.751 20 0 EHADRM O=C([O-])Cn1ccc2cc(NC(=O)c3nccc4ccccc43)ccc21 ZINC000431679047 1035195233 /nfs/dbraw/zinc/19/52/33/1035195233.db2.gz OXITYYWQDYWPHX-UHFFFAOYSA-N -1 0 345.358 3.526 20 0 EHADRM COc1ccc2nc(C)cc(C(=O)Nc3cccc(C(=O)[O-])c3)c2c1 ZINC000431688216 1035242212 /nfs/dbraw/zinc/24/22/12/1035242212.db2.gz TXCLXZDOLABEND-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM CC[C@@H]1CC[C@H](C)N1C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000613235254 1035465513 /nfs/dbraw/zinc/46/55/13/1035465513.db2.gz JICKDEJUFMYUQI-WCQYABFASA-N -1 0 333.819 3.634 20 0 EHADRM C[C@@H](CNC(=O)c1cccc(Oc2ccc(Cl)cc2)c1)CC(=O)[O-] ZINC000431776390 1035474833 /nfs/dbraw/zinc/47/48/33/1035474833.db2.gz PLUVBIDIDLHCOT-GFCCVEGCSA-N -1 0 347.798 3.973 20 0 EHADRM CC(C)(CNC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1)c1cccnc1 ZINC000414090355 1035477025 /nfs/dbraw/zinc/47/70/25/1035477025.db2.gz CQVULNNVVUHJGW-FQEVSTJZSA-N -1 0 346.471 3.537 20 0 EHADRM CC[C@@H](C)NC(=O)C[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000414100248 1035495060 /nfs/dbraw/zinc/49/50/60/1035495060.db2.gz RHVYCTDRHNYDMF-PSLIRLAXSA-N -1 0 332.227 3.641 20 0 EHADRM Cn1ccc2ccc([N-]S(=O)(=O)c3c(F)cccc3Cl)cc21 ZINC000463531155 1035588555 /nfs/dbraw/zinc/58/85/55/1035588555.db2.gz GREOOUFAEBFVIC-UHFFFAOYSA-N -1 0 338.791 3.772 20 0 EHADRM CCCCc1n[n-]c(=NCc2cc(Cl)c(OC)c(OC)c2)s1 ZINC000540706850 1035588730 /nfs/dbraw/zinc/58/87/30/1035588730.db2.gz IXVQAJHVBPMMIB-UHFFFAOYSA-N -1 0 341.864 3.585 20 0 EHADRM Cc1c(C(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])cnc2ccccc12 ZINC000431802913 1035599323 /nfs/dbraw/zinc/59/93/23/1035599323.db2.gz ZNOPZZKRDNXOIG-QAPCUYQASA-N -1 0 340.423 3.697 20 0 EHADRM O=C(c1nn(-c2cccc(Cl)c2)cc1[O-])N1C2CCCC1CCC2 ZINC000669232806 1035619021 /nfs/dbraw/zinc/61/90/21/1035619021.db2.gz TVMNHFQQOSUIBC-UHFFFAOYSA-N -1 0 345.830 3.779 20 0 EHADRM C[C@@H](Oc1n[n-]c(=O)cc1Cl)c1c(F)cccc1Br ZINC001233588933 1035670797 /nfs/dbraw/zinc/67/07/97/1035670797.db2.gz GZRVWASJNFCSFR-ZCFIWIBFSA-N -1 0 347.571 3.877 20 0 EHADRM Fc1cccc(Cl)c1CN=c1[n-]nc(CCc2ccccc2)o1 ZINC000540791296 1035686196 /nfs/dbraw/zinc/68/61/96/1035686196.db2.gz QAEAQRDNRIMGEM-UHFFFAOYSA-N -1 0 331.778 3.681 20 0 EHADRM Cc1ccc(CN=c2[n-]nc(Cc3ccc(Cl)cc3)o2)cc1C ZINC000540792425 1035686920 /nfs/dbraw/zinc/68/69/20/1035686920.db2.gz FIWLKHDPTFAPIH-UHFFFAOYSA-N -1 0 327.815 3.965 20 0 EHADRM COc1cc(C)c([C@@H](C)N=c2[n-]c(-c3ccccc3)no2)cc1OC ZINC000588160844 1035733087 /nfs/dbraw/zinc/73/30/87/1035733087.db2.gz LEMGFXHJFANSEU-CYBMUJFWSA-N -1 0 339.395 3.657 20 0 EHADRM CO[C@@H](c1ccccc1Cl)[C@H](C)N=c1nc(C(C)C)[n-]s1 ZINC000540869574 1035749592 /nfs/dbraw/zinc/74/95/92/1035749592.db2.gz WYVBHCRNMJTGSE-GXFFZTMASA-N -1 0 325.865 3.925 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]c1cc(-c2cccc(F)c2)on1 ZINC000571892056 1035775270 /nfs/dbraw/zinc/77/52/70/1035775270.db2.gz VBUPKVZFDIYXJQ-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(C(C)=O)c2)C1(C)C ZINC000045087690 1035785033 /nfs/dbraw/zinc/78/50/33/1035785033.db2.gz NSHDFLRCDJXJDA-CVEARBPZSA-N -1 0 349.452 3.773 20 0 EHADRM O=C(Cc1ccc(Cl)cc1)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000045100101 1035845340 /nfs/dbraw/zinc/84/53/40/1035845340.db2.gz QLNWJXWFGYWUPB-UHFFFAOYSA-N -1 0 341.791 3.508 20 0 EHADRM CC(C)=C[C@H]1[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)C1(C)C ZINC000045099940 1035845765 /nfs/dbraw/zinc/84/57/65/1035845765.db2.gz MGOTWILCDAEULF-LSDHHAIUSA-N -1 0 339.432 3.850 20 0 EHADRM CN(C(=O)N(CCC(=O)[O-])Cc1ccccc1Cl)C1CCCC1 ZINC000549020433 1035895512 /nfs/dbraw/zinc/89/55/12/1035895512.db2.gz SHKRGDVASOIPJP-UHFFFAOYSA-N -1 0 338.835 3.611 20 0 EHADRM O=C(Nc1ccc(F)c(F)c1[O-])c1ccc(N2CCCCC2)cc1 ZINC000457292246 1035923430 /nfs/dbraw/zinc/92/34/30/1035923430.db2.gz LMZSCYUUQPUXOS-UHFFFAOYSA-N -1 0 332.350 3.913 20 0 EHADRM Cc1c(C(=O)Nc2ccc(F)c(F)c2[O-])[nH]c2c1C(=O)CC(C)(C)C2 ZINC000457301227 1035959042 /nfs/dbraw/zinc/95/90/42/1035959042.db2.gz VZYJUVHYTLKYAL-UHFFFAOYSA-N -1 0 348.349 3.714 20 0 EHADRM O=S(=O)([N-]c1cnc(-c2ccccc2)s1)c1cccc(F)c1 ZINC000535067381 1035982502 /nfs/dbraw/zinc/98/25/02/1035982502.db2.gz UNZOYQNESBZKBL-UHFFFAOYSA-N -1 0 334.397 3.750 20 0 EHADRM O=C(N=c1[n-]ncs1)N1CCCCC[C@H]1/C=C\c1cccs1 ZINC000541168210 1036055783 /nfs/dbraw/zinc/05/57/83/1036055783.db2.gz HCTBJTZBTPSHKS-KRZKBDHCSA-N -1 0 334.470 3.511 20 0 EHADRM CCCOc1ccc(C=NNc2cccc(C(=O)[O-])c2)cc1OC ZINC000004647043 1036074126 /nfs/dbraw/zinc/07/41/26/1036074126.db2.gz UNICJJRUHDKUSR-UHFFFAOYSA-N -1 0 328.368 3.628 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000263112183 1036093736 /nfs/dbraw/zinc/09/37/36/1036093736.db2.gz DOMSLKOKUISWOL-WCQYABFASA-N -1 0 347.411 3.880 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@@H]1COc2ccc(F)cc2C1 ZINC000376331588 1036118044 /nfs/dbraw/zinc/11/80/44/1036118044.db2.gz BSAZCRZDWFGHGI-VIFPVBQESA-N -1 0 339.725 3.514 20 0 EHADRM O=C1CCCc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc21 ZINC000175009580 1036152068 /nfs/dbraw/zinc/15/20/68/1036152068.db2.gz ZFBRXCSUHPSAJT-UHFFFAOYSA-N -1 0 335.812 3.660 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cc(C)cc3cccnc32)c(C)c1 ZINC000589148492 1036277673 /nfs/dbraw/zinc/27/76/73/1036277673.db2.gz APSNRLZMYXTDTA-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM O=C(N=c1ncn(C2CCCCC2)[n-]1)c1ccc(SC2CC2)cc1 ZINC000541442918 1036312207 /nfs/dbraw/zinc/31/22/07/1036312207.db2.gz VRYAUFJRLICVEF-UHFFFAOYSA-N -1 0 342.468 3.712 20 0 EHADRM CSC1(C(=O)Nc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000190899882 1036318719 /nfs/dbraw/zinc/31/87/19/1036318719.db2.gz QVFZFFFNVIDXPM-UHFFFAOYSA-N -1 0 336.638 3.642 20 0 EHADRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccnn1[C@@H](C)CC(C)C ZINC000589269666 1036334865 /nfs/dbraw/zinc/33/48/65/1036334865.db2.gz GLDJBBCJVYCZBX-ZDUSSCGKSA-N -1 0 339.436 3.739 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000376374715 1036352119 /nfs/dbraw/zinc/35/21/19/1036352119.db2.gz FSHJDQSGXXFLBA-CQSZACIVSA-N -1 0 342.153 3.780 20 0 EHADRM COc1ccc([C@H](N=c2[n-]nc(C(C)C)o2)c2ccc(F)cc2)cc1 ZINC000572591363 1036393455 /nfs/dbraw/zinc/39/34/55/1036393455.db2.gz PQCNXJJKFIIMSO-QGZVFWFLSA-N -1 0 341.386 3.964 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])o1)c1ccc(-c2cccnc2)cc1 ZINC000191646139 1036402606 /nfs/dbraw/zinc/40/26/06/1036402606.db2.gz LIQXXKVRHSZKFH-LBPRGKRZSA-N -1 0 336.347 3.531 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OC(C)C)s1 ZINC000589437449 1036415149 /nfs/dbraw/zinc/41/51/49/1036415149.db2.gz OIFGFKMKVRFHDL-UHFFFAOYSA-N -1 0 329.418 3.784 20 0 EHADRM COc1ccc(/C=C\C(=O)Nc2c(O)cccc2Cl)cc1OC ZINC000492932164 1036415856 /nfs/dbraw/zinc/41/58/56/1036415856.db2.gz SAKPWDPSKNQOIU-CLFYSBASSA-N -1 0 333.771 3.715 20 0 EHADRM COc1cccc(S(=O)(=O)Nc2cccc(OC3CCCC3)c2)c1 ZINC000589429526 1036424038 /nfs/dbraw/zinc/42/40/38/1036424038.db2.gz BKZWWWBIGRZCCV-UHFFFAOYSA-N -1 0 347.436 3.817 20 0 EHADRM COc1cccc(S(=O)(=O)[N-]c2ccccc2OC2CCCC2)c1 ZINC000589432703 1036427698 /nfs/dbraw/zinc/42/76/98/1036427698.db2.gz YUPDWEBWBAHYPP-UHFFFAOYSA-N -1 0 347.436 3.817 20 0 EHADRM COc1cc(F)c(CNc2ccccc2CCCC(=O)[O-])cc1OC ZINC000572726442 1036471183 /nfs/dbraw/zinc/47/11/83/1036471183.db2.gz WTASXKCFWQSLNL-UHFFFAOYSA-N -1 0 347.386 3.862 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnc(C(F)(F)F)cc2C)s1 ZINC000685902667 1036508047 /nfs/dbraw/zinc/50/80/47/1036508047.db2.gz VGUMLEIBLCVFSF-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM O=C(CC1CCCCCC1)[N-]S(=O)(=O)c1ccccc1Cl ZINC000175085385 1036517805 /nfs/dbraw/zinc/51/78/05/1036517805.db2.gz ACJJSOFINRMNHL-UHFFFAOYSA-N -1 0 329.849 3.505 20 0 EHADRM CCN(CCCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccccc1 ZINC000013212942 1036592650 /nfs/dbraw/zinc/59/26/50/1036592650.db2.gz UMUCLMAYPWHODZ-UHFFFAOYSA-N -1 0 343.383 3.622 20 0 EHADRM CCC[C@@H](CNC(=O)C[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000263190912 1036620258 /nfs/dbraw/zinc/62/02/58/1036620258.db2.gz MMLOAZGNRSQTHE-RYUDHWBXSA-N -1 0 345.361 3.816 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)c2ccccc2SC(F)(F)F)CC1 ZINC000321362407 1036641177 /nfs/dbraw/zinc/64/11/77/1036641177.db2.gz LAEQFPSKBYINPH-UHFFFAOYSA-N -1 0 347.358 3.625 20 0 EHADRM CCn1cc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c2ccccc21 ZINC000249814577 1036658408 /nfs/dbraw/zinc/65/84/08/1036658408.db2.gz APXWXTXSPQMWRE-SKDZVZGDSA-N -1 0 340.423 3.519 20 0 EHADRM O=S(=O)([N-]c1cccc2n[nH]cc21)c1c(Cl)cccc1Cl ZINC000057119605 1036698985 /nfs/dbraw/zinc/69/89/85/1036698985.db2.gz CLAMOKSAKNDRMO-UHFFFAOYSA-N -1 0 342.207 3.671 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)Cc1csc2ccc(Cl)cc12)C1CC1 ZINC000263284608 1036750562 /nfs/dbraw/zinc/75/05/62/1036750562.db2.gz UBIURRQOVOKXOW-SECBINFHSA-N -1 0 337.828 3.561 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2CCC[C@H]2/C=C\c2ccccc2)s1 ZINC000541879657 1036752963 /nfs/dbraw/zinc/75/29/63/1036752963.db2.gz XFMNAZYKCHBQQN-SSCKCOOKSA-N -1 0 342.468 3.622 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCCc1ccc2ccccc2c1 ZINC000263293984 1036758207 /nfs/dbraw/zinc/75/82/07/1036758207.db2.gz ZEIZVZHALKVWHX-HNAYVOBHSA-N -1 0 339.435 3.874 20 0 EHADRM Cc1ccc([C@H]2CCCCCN2C(=O)Cc2ccc(C(=O)[O-])cc2)o1 ZINC000263299481 1036771203 /nfs/dbraw/zinc/77/12/03/1036771203.db2.gz CWXWSBJQFDJIAG-QGZVFWFLSA-N -1 0 341.407 3.973 20 0 EHADRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N([C@H](C)C(C)C)C3CC3)n2)c1 ZINC000539449170 1036773588 /nfs/dbraw/zinc/77/35/88/1036773588.db2.gz YHSHZBVDEIMOEF-CYBMUJFWSA-N -1 0 345.418 3.675 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 ZINC000263337192 1036797041 /nfs/dbraw/zinc/79/70/41/1036797041.db2.gz MQYJXXQAHFDSLD-VXGBXAGGSA-N -1 0 347.798 3.783 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN1C(=O)Cc1csc2ccc(Cl)cc12 ZINC000263389157 1036836298 /nfs/dbraw/zinc/83/62/98/1036836298.db2.gz CNVFUNSCCHBJTM-MRXNPFEDSA-N -1 0 337.828 3.563 20 0 EHADRM Cc1nc(C)c(C(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)s1 ZINC000263381256 1036838995 /nfs/dbraw/zinc/83/89/95/1036838995.db2.gz CPXVBOFGWCYSDQ-CQSZACIVSA-N -1 0 338.473 3.694 20 0 EHADRM C[C@@H]1[C@@H](C)CCN1C(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000176318760 1036859254 /nfs/dbraw/zinc/85/92/54/1036859254.db2.gz IQCRZKSSYZNOAL-JGVFFNPUSA-N -1 0 332.625 3.679 20 0 EHADRM Cc1cc(S(=O)(=O)Nc2c(Cl)cccc2C(=O)[O-])c(C)s1 ZINC000219492875 1036871694 /nfs/dbraw/zinc/87/16/94/1036871694.db2.gz WPVUBIIIUNFORK-UHFFFAOYSA-N -1 0 345.829 3.517 20 0 EHADRM CC(C)c1nc(/C=C/c2ccnn2C2CCCC2)ncc1C(=O)[O-] ZINC000572932490 1036919442 /nfs/dbraw/zinc/91/94/42/1036919442.db2.gz XSQABOMNLDDMNV-BQYQJAHWSA-N -1 0 326.400 3.780 20 0 EHADRM O=C([O-])C1(CNC(=O)C2(c3cccc(Cl)c3)CCCCC2)CC1 ZINC000263442680 1036920943 /nfs/dbraw/zinc/92/09/43/1036920943.db2.gz MSMHSPZAVOCQKW-UHFFFAOYSA-N -1 0 335.831 3.523 20 0 EHADRM Cc1csc(-c2ccc(NC(=O)[C@]3(C(=O)[O-])CC=CCC3)cc2)n1 ZINC000653282169 1036956166 /nfs/dbraw/zinc/95/61/66/1036956166.db2.gz PCUJYMCCGPLSEN-SFHVURJKSA-N -1 0 342.420 3.868 20 0 EHADRM CC(C)Oc1ccccc1CC(=O)N[C@H](CC(=O)[O-])C1CCCCC1 ZINC000539605596 1036969257 /nfs/dbraw/zinc/96/92/57/1036969257.db2.gz BAYBWELPURUQLS-QGZVFWFLSA-N -1 0 347.455 3.556 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cccc2ccccc21)C1CCCCC1 ZINC000539606731 1036970007 /nfs/dbraw/zinc/97/00/07/1036970007.db2.gz PQQXZORQUJSVCR-GOSISDBHSA-N -1 0 325.408 3.993 20 0 EHADRM Cc1csc(C(=O)N=c2nc(-c3ccsc3)[n-]s2)c1Cl ZINC000376458468 1036989888 /nfs/dbraw/zinc/98/98/88/1036989888.db2.gz RFEDGENMNHKVIA-UHFFFAOYSA-N -1 0 341.870 3.964 20 0 EHADRM CC[C@@H]1CCc2ccccc2N1Cc1nc(=O)c2sccc2[n-]1 ZINC000178070960 1036993398 /nfs/dbraw/zinc/99/33/98/1036993398.db2.gz UGPHZSASGROIPX-CYBMUJFWSA-N -1 0 325.437 3.716 20 0 EHADRM CCCC[C@H](NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])c1ccc(OC)cc1 ZINC000590797037 1037062958 /nfs/dbraw/zinc/06/29/58/1037062958.db2.gz SWKWBAMCXIFCAF-BZSNNMDCSA-N -1 0 345.439 3.710 20 0 EHADRM CCC(CC)(CNC(=O)Cc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000539681669 1037065517 /nfs/dbraw/zinc/06/55/17/1037065517.db2.gz DUNLCTVJMLUPIQ-UHFFFAOYSA-N -1 0 339.435 3.802 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)NC[C@H](C)CC(=O)[O-])c(F)c2)cc1C ZINC000539687869 1037071930 /nfs/dbraw/zinc/07/19/30/1037071930.db2.gz FPPQFOKJIFMGDT-GFCCVEGCSA-N -1 0 343.398 3.950 20 0 EHADRM CN(CC1(O)CCCCCC1)C(=O)c1ccc2ccccc2c1O ZINC000186944781 1037123329 /nfs/dbraw/zinc/12/33/29/1037123329.db2.gz PHIRJMAPEKSZAW-UHFFFAOYSA-N -1 0 327.424 3.703 20 0 EHADRM c1ccc(Cc2n[n-]c(=NCCc3cccc4cccnc43)s2)cc1 ZINC000542209965 1037182721 /nfs/dbraw/zinc/18/27/21/1037182721.db2.gz MTCBCJVQXXCFAQ-UHFFFAOYSA-N -1 0 346.459 3.754 20 0 EHADRM O=C([O-])CCCCNC(=O)N[C@@H](CC1CCCC1)c1ccccc1 ZINC000666538409 1037191486 /nfs/dbraw/zinc/19/14/86/1037191486.db2.gz BVAWSFNCRYTIMF-KRWDZBQOSA-N -1 0 332.444 3.862 20 0 EHADRM O=C(N=c1nc(-c2cccnc2)[n-]s1)c1ccc(-c2ccccc2)o1 ZINC000542231122 1037197556 /nfs/dbraw/zinc/19/75/56/1037197556.db2.gz PMHALRUXRXGYRD-UHFFFAOYSA-N -1 0 348.387 3.534 20 0 EHADRM CN(Cc1ccco1)C(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000176943008 1037292475 /nfs/dbraw/zinc/29/24/75/1037292475.db2.gz GLILHQFIVBFNIL-UHFFFAOYSA-N -1 0 344.592 3.673 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1cc(C(=O)[O-])oc1C ZINC000659120927 1037309442 /nfs/dbraw/zinc/30/94/42/1037309442.db2.gz ZQZVTYUCIUAXFX-CYBMUJFWSA-N -1 0 331.368 3.631 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)C2[C@H]3CCCCCC[C@H]23)c1 ZINC000659126751 1037313446 /nfs/dbraw/zinc/31/34/46/1037313446.db2.gz ONQXEJCFYGQWMQ-ULQDDVLXSA-N -1 0 345.439 3.544 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1c[nH]nc1-c1cccnc1 ZINC000542367251 1037337186 /nfs/dbraw/zinc/33/71/86/1037337186.db2.gz AVFPGWCGZOAQGL-UHFFFAOYSA-N -1 0 349.177 3.736 20 0 EHADRM CC(C)Oc1cccc([C@@H](C)NC(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000177069110 1037350586 /nfs/dbraw/zinc/35/05/86/1037350586.db2.gz HFAOFPPZCOCXIC-LLVKDONJSA-N -1 0 335.350 3.949 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1cc(C(=O)[O-])oc1C ZINC000659140457 1037359392 /nfs/dbraw/zinc/35/93/92/1037359392.db2.gz OYQABSNZZCVWHX-HNNXBMFYSA-N -1 0 329.396 3.770 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)[C@@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000659144219 1037369225 /nfs/dbraw/zinc/36/92/25/1037369225.db2.gz TZMLMVNPCHQOBH-RTBURBONSA-N -1 0 343.467 3.749 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(C(=O)CCCC2CCCCC2)C1 ZINC000659167865 1037405320 /nfs/dbraw/zinc/40/53/20/1037405320.db2.gz DAPXNQXONAYGGY-KGLIPLIRSA-N -1 0 349.393 3.849 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N(Cc1ccc(F)cc1)CC1CC1 ZINC000177164782 1037407424 /nfs/dbraw/zinc/40/74/24/1037407424.db2.gz FQQINTRRSBQEOR-UHFFFAOYSA-N -1 0 335.325 3.862 20 0 EHADRM CCC1(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CCC(F)(F)CC1 ZINC000659162773 1037407485 /nfs/dbraw/zinc/40/74/85/1037407485.db2.gz AICRYMCXGMMMQQ-ZDUSSCGKSA-N -1 0 333.419 3.845 20 0 EHADRM C[C@H](CC(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1)n1cccc1 ZINC000591447431 1037412075 /nfs/dbraw/zinc/41/20/75/1037412075.db2.gz HATTZSIIOJSWOC-LLVKDONJSA-N -1 0 346.843 3.672 20 0 EHADRM O=C(Nc1ccc(OC(F)F)cc1F)c1c([O-])cc(F)cc1F ZINC000669934689 1037432355 /nfs/dbraw/zinc/43/23/55/1037432355.db2.gz OXGYDECHQKPIQK-UHFFFAOYSA-N -1 0 333.212 3.663 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)cc1 ZINC000659189137 1037441064 /nfs/dbraw/zinc/44/10/64/1037441064.db2.gz FPHSDGPJMWWLPF-DSLXNQLJSA-N -1 0 343.467 3.666 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)C[C@@H](CC)c2ccccc2)n1 ZINC000659185925 1037441629 /nfs/dbraw/zinc/44/16/29/1037441629.db2.gz DPNIGOMRDWSRSD-GDBMZVCRSA-N -1 0 343.427 3.831 20 0 EHADRM Cc1cc(C)c(OCC(=O)[N-]S(=O)(=O)C2CCCCC2)c(C)c1 ZINC000058070653 1037449493 /nfs/dbraw/zinc/44/94/93/1037449493.db2.gz UFVQQMHZABKSPE-UHFFFAOYSA-N -1 0 339.457 3.610 20 0 EHADRM COc1ccc([C@@H]2CCCN2C(=O)c2ccc(C(=O)[O-])s2)cc1F ZINC000659191743 1037458666 /nfs/dbraw/zinc/45/86/66/1037458666.db2.gz HEQWSXKQEHVVAN-LBPRGKRZSA-N -1 0 349.383 3.571 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCCc2cccs2)[C@H]2CCCC[C@H]12 ZINC000659192157 1037459628 /nfs/dbraw/zinc/45/96/28/1037459628.db2.gz GBEIJRCPTFGQPM-OAGGEKHMSA-N -1 0 335.469 3.563 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)C/C=C\c2ccc(F)cc2)[C@@H]2CCCC[C@@H]12 ZINC000659194444 1037464784 /nfs/dbraw/zinc/46/47/84/1037464784.db2.gz LJLPPTFMHPHYEH-CJWBSQLSSA-N -1 0 345.414 3.721 20 0 EHADRM Cc1cc(C)cc(CCC(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)c1 ZINC000659194185 1037465650 /nfs/dbraw/zinc/46/56/50/1037465650.db2.gz SDLYQUGMIBPBAA-FHWLQOOXSA-N -1 0 343.467 3.728 20 0 EHADRM CCOc1cc(C(=O)Nc2cc(C(=O)CC)ccc2[O-])ccc1C ZINC000462922850 1037548356 /nfs/dbraw/zinc/54/83/56/1037548356.db2.gz NNCILCPWMSKDKU-UHFFFAOYSA-N -1 0 327.380 3.944 20 0 EHADRM C[C@H](C(=O)N[C@@H]1CCC[C@@]1(C)C(=O)[O-])c1c(Cl)cccc1Cl ZINC000659236760 1037550787 /nfs/dbraw/zinc/55/07/87/1037550787.db2.gz HRMCJDLSKRMPGB-PXTQAZKISA-N -1 0 344.238 3.857 20 0 EHADRM CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000591682591 1037556521 /nfs/dbraw/zinc/55/65/21/1037556521.db2.gz GGLFXIWTWXHQEK-UHFFFAOYSA-N -1 0 341.816 3.548 20 0 EHADRM Cc1oc(-c2ccccc2)c(C(=O)N[C@@H]2CCC[C@@]2(C)C(=O)[O-])c1C ZINC000659243996 1037573040 /nfs/dbraw/zinc/57/30/40/1037573040.db2.gz YFLICTFIGNGYPR-FOIQADDNSA-N -1 0 341.407 3.937 20 0 EHADRM CCN(CCc1ccccc1)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000174673509 1037594767 /nfs/dbraw/zinc/59/47/67/1037594767.db2.gz XGDYJGDJMOLSNV-UHFFFAOYSA-N -1 0 326.421 3.821 20 0 EHADRM Cc1nc([C@H](C)NC(=O)C2[C@@H]3CCCCCC[C@@H]23)sc1C(=O)[O-] ZINC000659141949 1037633820 /nfs/dbraw/zinc/63/38/20/1037633820.db2.gz BRAWCGUQMBXLKE-QJPTWQEYSA-N -1 0 336.457 3.543 20 0 EHADRM CC(C)C[C@H](NC(=O)N[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000573635650 1037667717 /nfs/dbraw/zinc/66/77/17/1037667717.db2.gz XFSVMXDIGRNTJY-GWCFXTLKSA-N -1 0 346.349 3.565 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2OC(C)C)o1 ZINC000540213555 1037698953 /nfs/dbraw/zinc/69/89/53/1037698953.db2.gz MPXMAGFUORMJQX-UHFFFAOYSA-N -1 0 329.805 3.829 20 0 EHADRM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3ccccc3F)cc2)o1 ZINC000029433192 1037719776 /nfs/dbraw/zinc/71/97/76/1037719776.db2.gz DZSFFYMOVWZPHM-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM COc1cccc(O[C@H](C)CN=c2[n-]nc(-c3ccccc3)s2)c1 ZINC000463076204 1037741058 /nfs/dbraw/zinc/74/10/58/1037741058.db2.gz IFPUUWSZSFJBQD-CYBMUJFWSA-N -1 0 341.436 3.515 20 0 EHADRM C[C@H](CN=c1nc(-c2ccccc2)[n-]s1)Oc1cccc(F)c1 ZINC000463079130 1037748447 /nfs/dbraw/zinc/74/84/47/1037748447.db2.gz WPGHLNOZOGXYAE-GFCCVEGCSA-N -1 0 329.400 3.646 20 0 EHADRM O=C([N-]c1c(F)cccc1F)c1nc(-c2ccc(F)cc2F)no1 ZINC001212170572 1037774552 /nfs/dbraw/zinc/77/45/52/1037774552.db2.gz FXJVFCRJDGWNII-UHFFFAOYSA-N -1 0 337.232 3.545 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)c2ccc3ccccc3c2O)c2ccccc21 ZINC000669434548 1037850470 /nfs/dbraw/zinc/85/04/70/1037850470.db2.gz SMNRCOHVWLXEIQ-INIZCTEOSA-N -1 0 347.370 3.764 20 0 EHADRM Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)c(C)n1C(C)C ZINC000669436637 1037863643 /nfs/dbraw/zinc/86/36/43/1037863643.db2.gz XWWVJHOFUZORBG-INIZCTEOSA-N -1 0 340.423 3.905 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@H](C)c3ccc[nH]3)n2)c1 ZINC000760951428 1037881774 /nfs/dbraw/zinc/88/17/74/1037881774.db2.gz KRMRVZKEKPWXPJ-CYBMUJFWSA-N -1 0 338.411 3.520 20 0 EHADRM CC(C)C[C@H](C(=O)NC[C@@H](C)CC(=O)[O-])c1ccc(Cl)cc1 ZINC000659144472 1037917582 /nfs/dbraw/zinc/91/75/82/1037917582.db2.gz HRQJQDRZGIWUBO-WFASDCNBSA-N -1 0 325.836 3.697 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1ccc2cccc(Cl)c2n1 ZINC000182962191 1037923380 /nfs/dbraw/zinc/92/33/80/1037923380.db2.gz QCMVENOYFZBOJS-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM CC(=C([O-])c1cc(F)ccc1F)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000492064415 1037929033 /nfs/dbraw/zinc/92/90/33/1037929033.db2.gz QJYZYZRSBTWASB-LBPRGKRZSA-N -1 0 338.375 3.627 20 0 EHADRM CCOc1ccc(-c2noc(C(=O)[N-]c3c(F)cccc3F)n2)cc1 ZINC001212171207 1037932368 /nfs/dbraw/zinc/93/23/68/1037932368.db2.gz QTYHUTXWQSXVKL-UHFFFAOYSA-N -1 0 345.305 3.666 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCCc2cc(F)ccc21 ZINC000183431551 1037947135 /nfs/dbraw/zinc/94/71/35/1037947135.db2.gz LERRFZOXRIMWRY-UHFFFAOYSA-N -1 0 325.261 3.542 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N2CCC[C@@H]2c2cccs2)cc1 ZINC000492119814 1038002692 /nfs/dbraw/zinc/00/26/92/1038002692.db2.gz RGJLCULNRPDDPV-YYRKOSNBSA-N -1 0 327.405 3.823 20 0 EHADRM N#Cc1ccc([O-])c(NC(=O)C2(c3ccc(F)cc3F)CCC2)c1 ZINC000180885929 1038279448 /nfs/dbraw/zinc/27/94/48/1038279448.db2.gz HTAQAXVWKCXKIH-UHFFFAOYSA-N -1 0 328.318 3.602 20 0 EHADRM CC[C@H]1[C@@H](C)CCN1C(=O)c1cc(F)cc(Br)c1[O-] ZINC000416210029 1038337974 /nfs/dbraw/zinc/33/79/74/1038337974.db2.gz NWXNNETUHKQKKN-UFBFGSQYSA-N -1 0 330.197 3.554 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cccc(F)c1Cl)C1CCCCC1 ZINC000538506010 1038346897 /nfs/dbraw/zinc/34/68/97/1038346897.db2.gz YZSGWCKHDKHJRN-ZDUSSCGKSA-N -1 0 327.783 3.633 20 0 EHADRM CC(C)(C)c1ncc(CN=c2[n-]nc(CC3CCCCC3)o2)s1 ZINC000538507765 1038349645 /nfs/dbraw/zinc/34/96/45/1038349645.db2.gz CFVCJWVZGBTMBG-UHFFFAOYSA-N -1 0 334.489 3.980 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1cccc(Oc2ccccc2)c1 ZINC000653315135 1038504505 /nfs/dbraw/zinc/50/45/05/1038504505.db2.gz UUNDXHQMACFMTR-CXAGYDPISA-N -1 0 325.364 3.557 20 0 EHADRM Cc1cc(O)c(C(C)C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182144465 1038548521 /nfs/dbraw/zinc/54/85/21/1038548521.db2.gz BVIPLYPDYYNNLU-UHFFFAOYSA-N -1 0 330.340 3.690 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)NCc1cc(C2CC2)ccc1F ZINC000910254026 1038789232 /nfs/dbraw/zinc/78/92/32/1038789232.db2.gz QOGSBJNKZROHDJ-UHFFFAOYSA-N -1 0 341.382 3.650 20 0 EHADRM C/C=C\C[C@H]1CCCN(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])C1 ZINC000910256065 1038792325 /nfs/dbraw/zinc/79/23/25/1038792325.db2.gz VTZQEGVANIJWHU-SFAKSCPVSA-N -1 0 340.423 3.613 20 0 EHADRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)C=C1CCCC1 ZINC000910255615 1038792368 /nfs/dbraw/zinc/79/23/68/1038792368.db2.gz OHKQOWFSSZNOGX-UHFFFAOYSA-N -1 0 338.201 3.895 20 0 EHADRM CC(C)c1ncsc1C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000910299147 1038813976 /nfs/dbraw/zinc/81/39/76/1038813976.db2.gz QONFSIQRWCXYIH-QWHCGFSZSA-N -1 0 330.409 3.707 20 0 EHADRM CC[C@H](c1n[n-]c(=NC(=O)N(CC)CC2CC2)s1)c1ccccc1 ZINC000485260610 1038822275 /nfs/dbraw/zinc/82/22/75/1038822275.db2.gz ODDJHFWYXHBQNS-HNNXBMFYSA-N -1 0 344.484 3.766 20 0 EHADRM O=C([O-])c1csc([C@@H]2CCCN2c2ccc(C(F)(F)F)nc2)n1 ZINC000910313332 1038822846 /nfs/dbraw/zinc/82/28/46/1038822846.db2.gz DKIDXCLEPHOFQB-JTQLQIEISA-N -1 0 343.330 3.597 20 0 EHADRM Cc1nc(CC(C)C)oc1C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000910297369 1038828325 /nfs/dbraw/zinc/82/83/25/1038828325.db2.gz CMIHQFIZNMSUEO-LSDHHAIUSA-N -1 0 342.395 3.622 20 0 EHADRM COc1cccc([C@H](C(=O)[O-])N(C)Cc2nc(C(C)(C)C)cs2)c1 ZINC000905373360 1038846992 /nfs/dbraw/zinc/84/69/92/1038846992.db2.gz KRLCWHXBMUDZBV-MRXNPFEDSA-N -1 0 348.468 3.707 20 0 EHADRM CC(C)n1c2ccccc2nc1[C@H]1CCCN1c1nc(C(=O)[O-])co1 ZINC000910356665 1038853759 /nfs/dbraw/zinc/85/37/59/1038853759.db2.gz FJXQGSVHTJDUEA-OAHLLOKOSA-N -1 0 340.383 3.645 20 0 EHADRM O=C([O-])c1csc(C=C(Cc2ccccc2)c2nccc(=O)[nH]2)c1 ZINC000432708100 1038872687 /nfs/dbraw/zinc/87/26/87/1038872687.db2.gz OSUPUVYZDIHGOC-LCYFTJDESA-N -1 0 338.388 3.725 20 0 EHADRM C[C@H](CC(=O)N[C@H](CC(=O)[O-])c1ccccc1Cl)C(F)(F)F ZINC000910405825 1038886673 /nfs/dbraw/zinc/88/66/73/1038886673.db2.gz MBUKAFLPGYGFOX-LDYMZIIASA-N -1 0 337.725 3.561 20 0 EHADRM C[C@H](NC(=O)c1cccc(C2CC2)c1)c1ccc(OCC(=O)[O-])cc1 ZINC000582073061 1038888395 /nfs/dbraw/zinc/88/83/95/1038888395.db2.gz QSPJCRUBDOYOEE-ZDUSSCGKSA-N -1 0 339.391 3.518 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)N[C@H](CC(=O)[O-])C1CCCCC1 ZINC000554086745 1038896546 /nfs/dbraw/zinc/89/65/46/1038896546.db2.gz NIJXLALERLWWSX-SUMWQHHRSA-N -1 0 335.419 3.544 20 0 EHADRM CC1(C)[C@@H](c2ccccc2Cl)CCN1C(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000910411840 1038898980 /nfs/dbraw/zinc/89/89/80/1038898980.db2.gz JSDUDAPOPDHWQH-MBNYWOFBSA-N -1 0 335.831 3.545 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)cc1 ZINC000236946136 1038906084 /nfs/dbraw/zinc/90/60/84/1038906084.db2.gz XHACWBYVBGWVOQ-BEFAXECRSA-N -1 0 339.435 3.993 20 0 EHADRM COc1ccc2oc(C(=O)N=c3[n-]nc(C(C)(C)C)s3)c(C)c2c1 ZINC000615151406 1038941251 /nfs/dbraw/zinc/94/12/51/1038941251.db2.gz CRZFPXPIEFYUPL-UHFFFAOYSA-N -1 0 345.424 3.573 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1cc(F)cc2cccnc21 ZINC000910512256 1038941369 /nfs/dbraw/zinc/94/13/69/1038941369.db2.gz ZARDKPZZRUMPQZ-UHFFFAOYSA-N -1 0 346.402 3.583 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC000910498057 1038947052 /nfs/dbraw/zinc/94/70/52/1038947052.db2.gz NCORRFABFNTCBE-UHFFFAOYSA-N -1 0 337.419 3.538 20 0 EHADRM Clc1ccccc1-c1n[n-]c(=N[C@@H](C2CC2)C2CCOCC2)s1 ZINC000651403356 1038948594 /nfs/dbraw/zinc/94/85/94/1038948594.db2.gz RYMXXWGWJBBATQ-HNNXBMFYSA-N -1 0 349.887 3.898 20 0 EHADRM C[C@H]1CCN(C(=O)CC2CCC(C(=O)[O-])CC2)[C@@H]1c1ccccc1 ZINC000910544408 1038963729 /nfs/dbraw/zinc/96/37/29/1038963729.db2.gz HGUBLSJBWVDNMA-QSUGNCRHSA-N -1 0 329.440 3.877 20 0 EHADRM CC(C)(C)c1n[n-]c(=NCc2cc(Cl)ccc2OCC2CC2)o1 ZINC000485366513 1038969666 /nfs/dbraw/zinc/96/96/66/1038969666.db2.gz GCWAHCYUFRRQKI-UHFFFAOYSA-N -1 0 335.835 3.843 20 0 EHADRM C[C@H](CC(=O)N=c1nc(-c2ccccc2Cl)[n-]s1)n1cccc1 ZINC000554162975 1038976814 /nfs/dbraw/zinc/97/68/14/1038976814.db2.gz LAIZYSSTZMZPAN-LLVKDONJSA-N -1 0 346.843 3.672 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)CCCc1csc(C)n1 ZINC000910624219 1038990533 /nfs/dbraw/zinc/99/05/33/1038990533.db2.gz PUKWZQMELCZDGA-UHFFFAOYSA-N -1 0 348.424 3.510 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1ccn(C(CC)CC)n1 ZINC000910622880 1038992500 /nfs/dbraw/zinc/99/25/00/1038992500.db2.gz XRYOAKHOIGGCAQ-UHFFFAOYSA-N -1 0 345.399 3.593 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)Nc2ncc(CC(=O)[O-])s2)cc1 ZINC000910668492 1039011001 /nfs/dbraw/zinc/01/10/01/1039011001.db2.gz RBICIPGBOKBSHE-ONEGZZNKSA-N -1 0 344.436 3.936 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)Nc2ncc(CC(=O)[O-])s2)cc1 ZINC000910674523 1039014438 /nfs/dbraw/zinc/01/44/38/1039014438.db2.gz IZRRSTRHLOIJBZ-LBPRGKRZSA-N -1 0 346.452 3.711 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910736061 1039043977 /nfs/dbraw/zinc/04/39/77/1039043977.db2.gz LBCXLVWONYIAFP-SNVBAGLBSA-N -1 0 330.409 3.536 20 0 EHADRM CCOc1cc(F)ccc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000185224219 1039049146 /nfs/dbraw/zinc/04/91/46/1039049146.db2.gz UOFVUACBUQWXJB-UHFFFAOYSA-N -1 0 329.249 3.600 20 0 EHADRM C[C@H](CC(=O)NCC(C)(C)CC(=O)[O-])c1ccccc1C(F)(F)F ZINC000910821047 1039096369 /nfs/dbraw/zinc/09/63/69/1039096369.db2.gz MNSMAMUJWLKAJA-LLVKDONJSA-N -1 0 345.361 3.816 20 0 EHADRM CC(C)(CNC(=O)c1cc(-c2ccccn2)ccc1Cl)CC(=O)[O-] ZINC000910822524 1039097229 /nfs/dbraw/zinc/09/72/29/1039097229.db2.gz FFMXATACSDMIGQ-UHFFFAOYSA-N -1 0 346.814 3.633 20 0 EHADRM Cc1cccc([C@@H]([N-]S(=O)(=O)c2ccccc2)C(F)(F)F)c1 ZINC000512431543 1039106464 /nfs/dbraw/zinc/10/64/64/1039106464.db2.gz FTVQVYFQMKXMRD-CQSZACIVSA-N -1 0 329.343 3.577 20 0 EHADRM CCSCc1ccnc([N-]S(=O)(=O)c2ccccc2CC)c1 ZINC000488410310 1039148016 /nfs/dbraw/zinc/14/80/16/1039148016.db2.gz UAJPEBKWOQPRGL-UHFFFAOYSA-N -1 0 336.482 3.698 20 0 EHADRM CCOC(=O)c1coc(=N[C@@H](C)c2cc(Cl)ccc2Cl)[n-]1 ZINC000418941725 1039149223 /nfs/dbraw/zinc/14/92/23/1039149223.db2.gz VWUVGJYTVYVAAL-QMMMGPOBSA-N -1 0 329.183 3.753 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2Cl)CC1 ZINC000554282792 1039159155 /nfs/dbraw/zinc/15/91/55/1039159155.db2.gz KUHOWFVQSGDQAX-LSDHHAIUSA-N -1 0 335.831 3.547 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1csc([C@@H]2CCCO2)n1 ZINC000910966861 1039164633 /nfs/dbraw/zinc/16/46/33/1039164633.db2.gz VGQDYZMXLDIVHC-AWEZNQCLSA-N -1 0 346.408 3.508 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1csc([C@H]2CCCO2)n1 ZINC000910966862 1039164958 /nfs/dbraw/zinc/16/49/58/1039164958.db2.gz VGQDYZMXLDIVHC-CQSZACIVSA-N -1 0 346.408 3.508 20 0 EHADRM CC1(C)CCCC[C@H]1CC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)CC1 ZINC000911021354 1039188999 /nfs/dbraw/zinc/18/89/99/1039188999.db2.gz MWXRWWWQPOWECH-LBPRGKRZSA-N -1 0 349.393 3.849 20 0 EHADRM Cc1cccc([C@H]([N-]S(=O)(=O)c2cccc(C)c2)C(F)(F)F)c1 ZINC000512447030 1039190524 /nfs/dbraw/zinc/19/05/24/1039190524.db2.gz ITRCTBHARAOCPF-HNNXBMFYSA-N -1 0 343.370 3.885 20 0 EHADRM CO[C@@H](C)C(=O)Nc1cccc(NCc2cccc(O)c2Cl)c1 ZINC000339201199 1039213001 /nfs/dbraw/zinc/21/30/01/1039213001.db2.gz LITLJSRZEJNUEQ-NSHDSACASA-N -1 0 334.803 3.631 20 0 EHADRM COc1ccc([C@H](NC(=O)c2cc(C(=O)[O-])oc2C)C2CCC2)cc1 ZINC000911061513 1039220324 /nfs/dbraw/zinc/22/03/24/1039220324.db2.gz IHQHVBVBGITZBM-QGZVFWFLSA-N -1 0 343.379 3.566 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000236618487 1039228204 /nfs/dbraw/zinc/22/82/04/1039228204.db2.gz LYCSZFJDILUXLL-GVXVVHGQSA-N -1 0 344.238 3.712 20 0 EHADRM CC(C)c1nnc(CSc2n[n-]c(=Nc3ccccc3)s2)o1 ZINC000339218552 1039235787 /nfs/dbraw/zinc/23/57/87/1039235787.db2.gz SYWOZDFAGHXMJG-UHFFFAOYSA-N -1 0 333.442 3.502 20 0 EHADRM CCNc1ccc(C(=O)[O-])cc1NC(=O)CCNc1ccccc1C ZINC000911085401 1039240544 /nfs/dbraw/zinc/24/05/44/1039240544.db2.gz VLQAMWSUUXNISU-UHFFFAOYSA-N -1 0 341.411 3.566 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)c1ccc(Br)o1)C(=O)[O-] ZINC000236699909 1039242669 /nfs/dbraw/zinc/24/26/69/1039242669.db2.gz LNJPEAMTYPXFER-CQSZACIVSA-N -1 0 346.221 3.586 20 0 EHADRM CCC[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000236846976 1039265740 /nfs/dbraw/zinc/26/57/40/1039265740.db2.gz VEYFUYOQNBFADS-ZWNOBZJWSA-N -1 0 342.233 3.517 20 0 EHADRM CCC[C@@H](C(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000236843804 1039267015 /nfs/dbraw/zinc/26/70/15/1039267015.db2.gz LGXISDIUKDPIRT-QGZVFWFLSA-N -1 0 327.380 3.672 20 0 EHADRM CC(C)c1cccnc1[N-]S(=O)(=O)c1onc(C2CC2)c1Cl ZINC000906061155 1039271629 /nfs/dbraw/zinc/27/16/29/1039271629.db2.gz NVZRAPMJLBVRSW-UHFFFAOYSA-N -1 0 341.820 3.525 20 0 EHADRM CC(C)[C@H]1CCCCN1C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000668864895 1039320819 /nfs/dbraw/zinc/32/08/19/1039320819.db2.gz NBUVFGLWVSYJTI-CQSZACIVSA-N -1 0 349.381 3.507 20 0 EHADRM CCCC[C@@H](NC(=O)c1ccoc1CC(=O)[O-])c1ccc(OC)cc1 ZINC000911340331 1039336407 /nfs/dbraw/zinc/33/64/07/1039336407.db2.gz YGCXZQMNZCTSRH-MRXNPFEDSA-N -1 0 345.395 3.577 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N(C)CCc1ccccc1)C(=O)[O-] ZINC000237366011 1039351052 /nfs/dbraw/zinc/35/10/52/1039351052.db2.gz OQPOOHMVMKSJQH-CQSZACIVSA-N -1 0 343.448 3.567 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000237406448 1039358523 /nfs/dbraw/zinc/35/85/23/1039358523.db2.gz GYVJLSARZZJMSU-RDTXWAMCSA-N -1 0 343.448 3.890 20 0 EHADRM CCc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(C)c(C(=O)[O-])c2)s1 ZINC000911429253 1039360314 /nfs/dbraw/zinc/36/03/14/1039360314.db2.gz YEIZMBIZVUIUIN-LBPRGKRZSA-N -1 0 346.452 3.854 20 0 EHADRM O=C([N-]S(=O)(=O)CCCF)C1CCC(c2ccccc2)CC1 ZINC000080314213 1039386665 /nfs/dbraw/zinc/38/66/65/1039386665.db2.gz GODSMIZOBCVEGF-UHFFFAOYSA-N -1 0 327.421 3.606 20 0 EHADRM Cc1ccc(CC(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC000237672153 1039407891 /nfs/dbraw/zinc/40/78/91/1039407891.db2.gz XXPALQYIIFQFOW-MRXNPFEDSA-N -1 0 349.789 3.662 20 0 EHADRM COc1nc(C(F)(F)F)ccc1-c1cccc2c1C[C@@H]1[C@@H](C(=O)[O-])[C@H]21 ZINC000906250026 1039411057 /nfs/dbraw/zinc/41/10/57/1039411057.db2.gz MDDSLKDJFAEYEX-NWANDNLSSA-N -1 0 349.308 3.746 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)Nc1ccccc1N[C@@H](C)c1ccccc1 ZINC000911558986 1039412038 /nfs/dbraw/zinc/41/20/38/1039412038.db2.gz TZJJTXACWJJQTD-KBPBESRZSA-N -1 0 326.396 3.909 20 0 EHADRM CC(C)n1cc(-c2ccc(OC[C@H]3CCCCO3)cc2)c(C(=O)[O-])n1 ZINC000906241846 1039426890 /nfs/dbraw/zinc/42/68/90/1039426890.db2.gz XDQDAOBHNLFWPW-MRXNPFEDSA-N -1 0 344.411 3.777 20 0 EHADRM O=C([O-])C1(CC(=O)NCc2nc3ccccc3s2)CCCCCC1 ZINC000324422295 1039441283 /nfs/dbraw/zinc/44/12/83/1039441283.db2.gz YVXGKODYPNRHNM-UHFFFAOYSA-N -1 0 346.452 3.728 20 0 EHADRM C[C@@H]1C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c2ccncc2)CC(C)(C)C1 ZINC000911658415 1039453513 /nfs/dbraw/zinc/45/35/13/1039453513.db2.gz LAQGNEQBVPZVEP-YCPHGPKFSA-N -1 0 332.444 3.566 20 0 EHADRM Cc1cccc(CO[C@H](C)C(=O)Nc2cc(C(=O)[O-])c(C)cc2F)c1 ZINC000911689603 1039462724 /nfs/dbraw/zinc/46/27/24/1039462724.db2.gz TZTRKIOIGRXDPS-CYBMUJFWSA-N -1 0 345.370 3.685 20 0 EHADRM Cc1cc2c(cc1C)[C@H](C(=O)Nc1cc(C(=O)[O-])c(C)cc1F)CO2 ZINC000911690629 1039462905 /nfs/dbraw/zinc/46/29/05/1039462905.db2.gz XPQSNQRGCKQYRA-CQSZACIVSA-N -1 0 343.354 3.564 20 0 EHADRM Cc1noc(C)c1[C@H](C)CC(=O)Nc1cc(C(=O)[O-])c(C)cc1F ZINC000911690089 1039463107 /nfs/dbraw/zinc/46/31/07/1039463107.db2.gz UMVPGAWGGZRNGN-SECBINFHSA-N -1 0 334.347 3.569 20 0 EHADRM CC(C)Oc1c(NC(=O)C=C(C2CC2)C2CC2)cccc1C(=O)[O-] ZINC000911739375 1039481673 /nfs/dbraw/zinc/48/16/73/1039481673.db2.gz PTBAXGKIACBFBL-UHFFFAOYSA-N -1 0 329.396 3.857 20 0 EHADRM O[C@H]1CC[C@H](N=c2[n-]nc(-c3cc(Cl)cc(Cl)c3)s2)CC1 ZINC000511613894 1039605371 /nfs/dbraw/zinc/60/53/71/1039605371.db2.gz QQLIONGPCMRXRX-HAQNSBGRSA-N -1 0 344.267 3.649 20 0 EHADRM CN(CC(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000554700281 1039606944 /nfs/dbraw/zinc/60/69/44/1039606944.db2.gz YSXNBOMDTPADFM-ZDUSSCGKSA-N -1 0 326.824 3.543 20 0 EHADRM O=C([O-])CC1(CC(=O)NCc2ccc(-c3ccco3)cc2F)CCC1 ZINC000643342984 1039643043 /nfs/dbraw/zinc/64/30/43/1039643043.db2.gz SNGRMGJRZCSAFY-UHFFFAOYSA-N -1 0 345.370 3.737 20 0 EHADRM CCCN(C(=O)c1c[nH]c(=NC(=O)OC(C)(C)C)s1)C(C)C ZINC000912046512 1039659052 /nfs/dbraw/zinc/65/90/52/1039659052.db2.gz FRKRXVQUDQUDKR-UHFFFAOYSA-N -1 0 327.450 3.751 20 0 EHADRM CC[C@@H](C(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1)c1ccccc1 ZINC000485934493 1039715732 /nfs/dbraw/zinc/71/57/32/1039715732.db2.gz SGYJJVPAZUGZAZ-QGZVFWFLSA-N -1 0 336.391 3.858 20 0 EHADRM CCN(C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-])C1CCC1 ZINC000478842899 1039748575 /nfs/dbraw/zinc/74/85/75/1039748575.db2.gz YBYSXPVQSURORN-UHFFFAOYSA-N -1 0 327.428 3.716 20 0 EHADRM COc1cc(OC2CC2)ccc1C(=O)Nc1cccc(Cl)c1[O-] ZINC000478847928 1039759519 /nfs/dbraw/zinc/75/95/19/1039759519.db2.gz LCFNUNZHRQYDMW-UHFFFAOYSA-N -1 0 333.771 3.848 20 0 EHADRM CN(C(=O)N=c1[n-]nc(-c2ccccc2)s1)[C@H]1CCC(C)(C)C1 ZINC000478914036 1039810735 /nfs/dbraw/zinc/81/07/35/1039810735.db2.gz XNISUVJDFCGFHQ-ZDUSSCGKSA-N -1 0 330.457 3.669 20 0 EHADRM CCCn1nc(C)c(/C=C/c2nc3ccc(C(=O)[O-])cc3o2)c1C ZINC000486074909 1039840496 /nfs/dbraw/zinc/84/04/96/1039840496.db2.gz HFIRHEJLQJVPGY-SOFGYWHQSA-N -1 0 325.368 3.920 20 0 EHADRM COCc1nc(=N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)s[n-]1 ZINC000554927738 1039963313 /nfs/dbraw/zinc/96/33/13/1039963313.db2.gz OAAGVXQOERBEGX-CYBMUJFWSA-N -1 0 343.374 3.688 20 0 EHADRM CCc1coc(NC(=O)c2nn(-c3cccc(C(C)C)c3)cc2[O-])n1 ZINC000549848041 1040015890 /nfs/dbraw/zinc/01/58/90/1040015890.db2.gz YHDMWQKDMRBUFV-UHFFFAOYSA-N -1 0 340.383 3.504 20 0 EHADRM CCc1nc(C[NH2+][C@H](CC(=O)[O-])C23CC4CC(CC(C4)C2)C3)cs1 ZINC000417583522 1040032070 /nfs/dbraw/zinc/03/20/70/1040032070.db2.gz WQQIEXRTMUCVMZ-SFIVQVFOSA-N -1 0 348.512 3.855 20 0 EHADRM O=C([O-])[C@H](CC(F)F)[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000417597404 1040051136 /nfs/dbraw/zinc/05/11/36/1040051136.db2.gz SXYGWKCOUMDIKI-LBPRGKRZSA-N -1 0 329.730 3.798 20 0 EHADRM COc1cccc(OC)c1CNc1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000417613981 1040083202 /nfs/dbraw/zinc/08/32/02/1040083202.db2.gz UVKKEMFDLZGECF-ZDUSSCGKSA-N -1 0 329.396 3.894 20 0 EHADRM COCCOc1ccccc1CNc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000417634981 1040097910 /nfs/dbraw/zinc/09/79/10/1040097910.db2.gz ZSKVCNMULTVDIC-UHFFFAOYSA-N -1 0 343.423 3.686 20 0 EHADRM Cc1ccc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c2ncccc12 ZINC000907629379 1040110326 /nfs/dbraw/zinc/11/03/26/1040110326.db2.gz QLUYZUSVTPJSSV-CQSZACIVSA-N -1 0 340.423 3.506 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c3cccnc23)cc1 ZINC000042676840 1040132171 /nfs/dbraw/zinc/13/21/71/1040132171.db2.gz XPJXSDCZTDGFRQ-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM COC1(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)CCCCCC1 ZINC000907768660 1040161566 /nfs/dbraw/zinc/16/15/66/1040161566.db2.gz NSPXOYXLNMBILL-UHFFFAOYSA-N -1 0 340.445 3.643 20 0 EHADRM Cc1cc(F)ccc1[C@H](C)NC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC000907785463 1040170192 /nfs/dbraw/zinc/17/01/92/1040170192.db2.gz NAXSWPZXRFARMI-ROOHIHILSA-N -1 0 341.382 3.570 20 0 EHADRM CCC1(CC)CCN(C(=O)N=c2[n-]nc(-c3ccco3)s2)CC1 ZINC000486526792 1040216832 /nfs/dbraw/zinc/21/68/32/1040216832.db2.gz LDDBZZUPFANPKR-UHFFFAOYSA-N -1 0 334.445 3.654 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@H]12 ZINC000907937680 1040236065 /nfs/dbraw/zinc/23/60/65/1040236065.db2.gz AYZUKOKBDVOAJC-DARAHFNDSA-N -1 0 349.858 3.524 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@H]23)cc1 ZINC000907940656 1040237746 /nfs/dbraw/zinc/23/77/46/1040237746.db2.gz KDMZPQZJBWUROX-VBTXMTLKSA-N -1 0 341.451 3.829 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@H]23)cc1 ZINC000907940660 1040237808 /nfs/dbraw/zinc/23/78/08/1040237808.db2.gz KDMZPQZJBWUROX-XWSUXFQLSA-N -1 0 341.451 3.829 20 0 EHADRM COc1ccccc1[C@H](CN=c1nc(C(C)(C)C)[n-]s1)OC(C)C ZINC000489945886 1040270665 /nfs/dbraw/zinc/27/06/65/1040270665.db2.gz KPCWCWZQCIMFOF-HNNXBMFYSA-N -1 0 349.500 3.844 20 0 EHADRM CN(C(=O)[C@H]1CCC[C@@H]1c1ccccc1)c1cccc(CC(=O)[O-])c1 ZINC000908083013 1040280164 /nfs/dbraw/zinc/28/01/64/1040280164.db2.gz MSRMQRZAMXMVHI-MOPGFXCFSA-N -1 0 337.419 3.860 20 0 EHADRM CCSCc1ccccc1C(=O)N(C)c1cccc(CC(=O)[O-])c1 ZINC000908087872 1040282448 /nfs/dbraw/zinc/28/24/48/1040282448.db2.gz IDAFRQLCLWQMLI-UHFFFAOYSA-N -1 0 343.448 3.843 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CCC(=O)N(C)c2cccc(CC(=O)[O-])c2)o1 ZINC000908076201 1040287490 /nfs/dbraw/zinc/28/74/90/1040287490.db2.gz CWIDCUJLBDLYDK-CXAGYDPISA-N -1 0 341.407 3.626 20 0 EHADRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1c(C)cccc1F ZINC000479492151 1040298007 /nfs/dbraw/zinc/29/80/07/1040298007.db2.gz XLHGAJKILQZTSG-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Nc1cc(-c2ccccc2)on1 ZINC000899311265 1040311020 /nfs/dbraw/zinc/31/10/20/1040311020.db2.gz NIVIBTJFNBMFPE-AWEZNQCLSA-N -1 0 343.383 3.593 20 0 EHADRM Cc1sc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])nc1C(C)C ZINC000899313210 1040313995 /nfs/dbraw/zinc/31/39/95/1040313995.db2.gz HXWAZBVDYLLTIY-LBPRGKRZSA-N -1 0 339.461 3.826 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccc(C)c(NC(C)=O)c2)c1 ZINC000555242362 1040331733 /nfs/dbraw/zinc/33/17/33/1040331733.db2.gz BNINIEMPBVBJAU-UHFFFAOYSA-N -1 0 340.379 3.504 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1O ZINC000479520106 1040341797 /nfs/dbraw/zinc/34/17/97/1040341797.db2.gz VGLWHNIUUVHYPK-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM O=C([O-])c1ccc2cc(CCNC(=O)c3ccoc3C3CC3)oc2c1 ZINC000908219641 1040346357 /nfs/dbraw/zinc/34/63/57/1040346357.db2.gz VICJMHBBTFTJAO-UHFFFAOYSA-N -1 0 339.347 3.574 20 0 EHADRM O=c1c(C(F)(F)F)c(C2CC2)[n-]n1Cc1cccc2cccnc21 ZINC000899348053 1040366453 /nfs/dbraw/zinc/36/64/53/1040366453.db2.gz NROSMEZEBRKJFQ-CYBMUJFWSA-N -1 0 333.313 3.522 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1ccsc1C(F)(F)F)CC1CCCC1 ZINC000908294715 1040390561 /nfs/dbraw/zinc/39/05/61/1040390561.db2.gz ZDPFHCJJUWMPTL-SNVBAGLBSA-N -1 0 349.374 3.778 20 0 EHADRM Cc1coc2ccc([N-]S(=O)(=O)c3cc(F)c(F)cc3F)cc12 ZINC000479567043 1040391280 /nfs/dbraw/zinc/39/12/80/1040391280.db2.gz FKCMTGXCMAMOAY-UHFFFAOYSA-N -1 0 341.310 3.959 20 0 EHADRM Cc1nc2ccc(C(=O)NCCCCC3(C(=O)[O-])CCC3)cc2s1 ZINC000908332964 1040396630 /nfs/dbraw/zinc/39/66/30/1040396630.db2.gz DYKPFKMUOKYYTC-UHFFFAOYSA-N -1 0 346.452 3.760 20 0 EHADRM C[C@H](C(=O)NCCCCC1(C(=O)[O-])CCC1)c1c(F)cccc1F ZINC000908337445 1040399500 /nfs/dbraw/zinc/39/95/00/1040399500.db2.gz BCDXGQDGBWMIJY-LBPRGKRZSA-N -1 0 339.382 3.610 20 0 EHADRM COc1ccc(C(C)(C)C(=O)NCCCCC2(C(=O)[O-])CCC2)cc1 ZINC000908338372 1040399866 /nfs/dbraw/zinc/39/98/66/1040399866.db2.gz JGFGGEYWRPYVIW-UHFFFAOYSA-N -1 0 347.455 3.514 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1 ZINC000908366915 1040414418 /nfs/dbraw/zinc/41/44/18/1040414418.db2.gz JUYBYOMKPXYGDX-UXLLHSPISA-N -1 0 347.455 3.727 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1 ZINC000908375464 1040419882 /nfs/dbraw/zinc/41/98/82/1040419882.db2.gz LLPHTXXTHXOKDU-CMPLNLGQSA-N -1 0 341.860 3.825 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)C1 ZINC000908376332 1040420918 /nfs/dbraw/zinc/42/09/18/1040420918.db2.gz UOPGFURLIPYAHT-MAAHGYRXSA-N -1 0 337.419 3.703 20 0 EHADRM O=c1c2c([n-]n1-c1ccc(F)cc1Br)CCCCC2 ZINC000614186227 1040444837 /nfs/dbraw/zinc/44/48/37/1040444837.db2.gz YUEMCIZRHJDJLR-JTQLQIEISA-N -1 0 325.181 3.871 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000899424615 1040488151 /nfs/dbraw/zinc/48/81/51/1040488151.db2.gz UTYWXINFQQJCFY-HZMBPMFUSA-N -1 0 333.737 3.850 20 0 EHADRM Cn1ccc([C@@H](NCc2cc(O)cc(F)c2)c2ccc(Cl)cc2)n1 ZINC000364225906 1040505350 /nfs/dbraw/zinc/50/53/50/1040505350.db2.gz WXQOSTDLSAFQFR-SFHVURJKSA-N -1 0 345.805 3.797 20 0 EHADRM CC(C)=CC[C@H](NC(=O)Nc1cccc(COC(C)(C)C)c1)C(=O)[O-] ZINC000908640577 1040545768 /nfs/dbraw/zinc/54/57/68/1040545768.db2.gz YDKXEDTWHDIGIN-INIZCTEOSA-N -1 0 348.443 3.933 20 0 EHADRM CCCN(C)c1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000908641845 1040550892 /nfs/dbraw/zinc/55/08/92/1040550892.db2.gz MEVLUZIDWFIDMJ-HNNXBMFYSA-N -1 0 346.452 3.540 20 0 EHADRM Cc1cccc(N=c2[n-]nc(SCC[C@H]3CCCC3=O)s2)c1 ZINC000481251272 1040563546 /nfs/dbraw/zinc/56/35/46/1040563546.db2.gz DZTRVZVXVAXDKO-GFCCVEGCSA-N -1 0 333.482 3.863 20 0 EHADRM CCC[C@@]1(C(=O)[O-])CCCN1C(=O)Nc1nccc(C)c1C1CC1 ZINC000908682559 1040572788 /nfs/dbraw/zinc/57/27/88/1040572788.db2.gz BJAIENXEOPZCGT-SFHVURJKSA-N -1 0 331.416 3.519 20 0 EHADRM O=C([O-])CN(Cc1ccccc1)C(=O)Nc1nc(C2CCC2)cs1 ZINC000908678965 1040585114 /nfs/dbraw/zinc/58/51/14/1040585114.db2.gz JBKRCATVGJQMJO-UHFFFAOYSA-N -1 0 345.424 3.529 20 0 EHADRM C[C@]1(CNC(=O)c2ccc3oc(=S)[n-]c3c2)CCOC2(CCC2)C1 ZINC000899491510 1040592448 /nfs/dbraw/zinc/59/24/48/1040592448.db2.gz MKRGVLMBCNNDBI-KRWDZBQOSA-N -1 0 346.452 3.586 20 0 EHADRM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1cccc(O)c1Br ZINC000908712157 1040607933 /nfs/dbraw/zinc/60/79/33/1040607933.db2.gz AMGWOCDBDTUMKY-ZWNOBZJWSA-N -1 0 342.233 3.689 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)c1ccoc1CC(=O)[O-])c1ccc(F)cc1 ZINC000908730290 1040611733 /nfs/dbraw/zinc/61/17/33/1040611733.db2.gz RTTKBWUXIOOFRC-OAHLLOKOSA-N -1 0 347.386 3.953 20 0 EHADRM CCC(CC)[C@H](NC(=O)c1ccoc1CC(=O)[O-])c1ccccc1 ZINC000908728999 1040613393 /nfs/dbraw/zinc/61/33/93/1040613393.db2.gz GAZXXWSCCPVIJO-SFHVURJKSA-N -1 0 329.396 3.814 20 0 EHADRM CSCc1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1 ZINC000908773578 1040630875 /nfs/dbraw/zinc/63/08/75/1040630875.db2.gz JMOBKPDOEBHKTP-UHFFFAOYSA-N -1 0 333.453 3.913 20 0 EHADRM O=C([O-])C12CCC(C(=O)Nc3cccc(SC(F)F)c3)(CC1)C2 ZINC000908772844 1040632008 /nfs/dbraw/zinc/63/20/08/1040632008.db2.gz BORWPJYKGQALLR-UHFFFAOYSA-N -1 0 341.379 3.975 20 0 EHADRM CCOc1ccc(F)c([N-]c2nonc2C2CC2)c1Br ZINC001211756143 1040637495 /nfs/dbraw/zinc/63/74/95/1040637495.db2.gz BOEZEONPLIVWBP-UHFFFAOYSA-N -1 0 342.168 3.991 20 0 EHADRM CCSc1ccc([C@@H](C)NC(=O)c2ccoc2CC(=O)[O-])cc1 ZINC000908780867 1040647435 /nfs/dbraw/zinc/64/74/35/1040647435.db2.gz JGAXLYNKCVVEJU-LLVKDONJSA-N -1 0 333.409 3.510 20 0 EHADRM C[C@]1(c2ccccc2)CCCN(C(=O)C23CCC(C(=O)[O-])(CC2)C3)C1 ZINC000908801395 1040657424 /nfs/dbraw/zinc/65/74/24/1040657424.db2.gz AYSYEZZDWHIHDZ-MWXLCCTBSA-N -1 0 341.451 3.602 20 0 EHADRM Cc1cc(C)c(C(=O)N=c2[n-]nc(-c3cc(C)cc(C)c3)s2)o1 ZINC000487023923 1040658433 /nfs/dbraw/zinc/65/84/33/1040658433.db2.gz TWKVGQYNMHJDKV-UHFFFAOYSA-N -1 0 327.409 3.706 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)Nc1ccccc1O[C@@H](C)c1ccccc1 ZINC000908809645 1040662121 /nfs/dbraw/zinc/66/21/21/1040662121.db2.gz OBTPMCFJBQLBEU-ZFWWWQNUSA-N -1 0 327.380 3.876 20 0 EHADRM CC(C)c1n[n-]c(=NC(=O)c2cc3cc(Cl)sc3[nH]2)s1 ZINC000555484104 1040663507 /nfs/dbraw/zinc/66/35/07/1040663507.db2.gz KPUIGSZOZDUOSL-UHFFFAOYSA-N -1 0 326.834 3.532 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000908819003 1040667185 /nfs/dbraw/zinc/66/71/85/1040667185.db2.gz AGEMWSNRUQEZPL-KGLIPLIRSA-N -1 0 327.380 3.613 20 0 EHADRM O=C([O-])CN(C(=O)c1cc(C2CC2)oc1C1CC1)c1ccccc1 ZINC000899535973 1040675255 /nfs/dbraw/zinc/67/52/55/1040675255.db2.gz WVYIAFMMDKKWCT-UHFFFAOYSA-N -1 0 325.364 3.766 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)c1ccc([C@H](C)C(F)(F)F)cc1 ZINC000908882782 1040700423 /nfs/dbraw/zinc/70/04/23/1040700423.db2.gz FVBRJGPTZDSSPZ-NSHDSACASA-N -1 0 331.334 3.535 20 0 EHADRM O=C(COc1ccc(Cl)c(F)c1)Nc1cccc(Cl)c1[O-] ZINC000490748237 1040720156 /nfs/dbraw/zinc/72/01/56/1040720156.db2.gz WZHIGULMIGYJSQ-UHFFFAOYSA-N -1 0 330.142 3.856 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1ccc(NCc2ccsc2)cc1 ZINC000908962593 1040724718 /nfs/dbraw/zinc/72/47/18/1040724718.db2.gz MEVHIHADEQJJEK-UHFFFAOYSA-N -1 0 346.452 3.686 20 0 EHADRM COc1cc(Br)nc(Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001211655464 1040755587 /nfs/dbraw/zinc/75/55/87/1040755587.db2.gz ZBSISGZNYTYDNF-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000913358337 1040757104 /nfs/dbraw/zinc/75/71/04/1040757104.db2.gz ZWIYLFXAKKESJL-KBPBESRZSA-N -1 0 347.422 3.795 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccn(C2CCCCC2)n1 ZINC000909084841 1040791538 /nfs/dbraw/zinc/79/15/38/1040791538.db2.gz XCAVWUGGJYUYFO-UHFFFAOYSA-N -1 0 327.384 3.647 20 0 EHADRM O=C(Nc1ccc2[nH]c(=S)[nH]c2c1)c1cc(F)c([O-])c(Cl)c1 ZINC000192457199 1040816058 /nfs/dbraw/zinc/81/60/58/1040816058.db2.gz FUPAUXFPEWFGFY-UHFFFAOYSA-N -1 0 337.763 3.602 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ncc(C)c(-c3ccccc3)n2)c1 ZINC000433147892 1040904869 /nfs/dbraw/zinc/90/48/69/1040904869.db2.gz DZFBWKUANRVOMK-UHFFFAOYSA-N -1 0 339.420 3.561 20 0 EHADRM COc1cc([N-]S(=O)(=O)CCC(C)(C)C)c(OC)cc1Cl ZINC000481441295 1040905305 /nfs/dbraw/zinc/90/53/05/1040905305.db2.gz WCZJNSCQZXISPI-UHFFFAOYSA-N -1 0 335.853 3.535 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(-c3ccccc3)o2)C1 ZINC000909699610 1040942794 /nfs/dbraw/zinc/94/27/94/1040942794.db2.gz CGZIKIHDLORHBC-IBGZPJMESA-N -1 0 327.380 3.520 20 0 EHADRM CCCc1nc(=NC(=O)N2CCCC[C@H]2Cc2ccccc2)s[n-]1 ZINC000570887429 1040964131 /nfs/dbraw/zinc/96/41/31/1040964131.db2.gz AJORLSCTUONYGL-HNNXBMFYSA-N -1 0 344.484 3.542 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000909722525 1040967852 /nfs/dbraw/zinc/96/78/52/1040967852.db2.gz YLFWEGZSTNJPSM-LSDHHAIUSA-N -1 0 349.477 3.641 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cnn(C(C)C)c1 ZINC000570897556 1040969143 /nfs/dbraw/zinc/96/91/43/1040969143.db2.gz TXJGAXDTBMXZTD-UHFFFAOYSA-N -1 0 347.362 3.592 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)c1sc2cccc(F)c2c1Cl ZINC000909734882 1040987634 /nfs/dbraw/zinc/98/76/34/1040987634.db2.gz PSMJMPMCWGXYKP-QMMMGPOBSA-N -1 0 341.791 3.773 20 0 EHADRM CN(C(=O)c1cc(F)c(F)c([O-])c1F)C1C2CC3CC(C2)CC1C3 ZINC000509802918 1040999298 /nfs/dbraw/zinc/99/92/98/1040999298.db2.gz DGXZBPUSCLRHBJ-UHFFFAOYSA-N -1 0 339.357 3.706 20 0 EHADRM O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)C2(C3CCCCC3)CC2)C1 ZINC000909856258 1041029259 /nfs/dbraw/zinc/02/92/59/1041029259.db2.gz JXGAWQHYKKXGHO-OAQYLSRUSA-N -1 0 341.451 3.602 20 0 EHADRM CN(C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@H](C(=O)[O-])c1ccccc1 ZINC000555709310 1041031382 /nfs/dbraw/zinc/03/13/82/1041031382.db2.gz AFITYFMJNFZWKW-HPBDAGMYSA-N -1 0 344.455 3.813 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)CC2CC(OC(C)(C)C)C2)cc1 ZINC000909835905 1041031882 /nfs/dbraw/zinc/03/18/82/1041031882.db2.gz KYDZMZLEHHJHQC-FUJMWEONSA-N -1 0 333.428 3.797 20 0 EHADRM CC[C@@](O)(CC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC000909836762 1041034539 /nfs/dbraw/zinc/03/45/39/1041034539.db2.gz RKARTWOPPWTVQI-JLTOFOAXSA-N -1 0 341.407 3.501 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc(C(F)F)cc2)C[C@@H]1c1ccccc1 ZINC000909836086 1041034716 /nfs/dbraw/zinc/03/47/16/1041034716.db2.gz JMZYIRQTNWXOHW-HZPDHXFCSA-N -1 0 345.345 3.565 20 0 EHADRM O=C([O-])c1cccc2c1CN(C(=O)C1(C3CCCCC3)CC1)CC2 ZINC000909866261 1041040350 /nfs/dbraw/zinc/04/03/50/1041040350.db2.gz SYURVYZLSGYOEO-UHFFFAOYSA-N -1 0 327.424 3.630 20 0 EHADRM CC(C)[C@H](NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-])c1ccc(F)cc1 ZINC000899761139 1041087940 /nfs/dbraw/zinc/08/79/40/1041087940.db2.gz CXERBTHZOUOWME-FVALFLQTSA-N -1 0 345.414 3.552 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(F)cc1Br ZINC000899765324 1041093568 /nfs/dbraw/zinc/09/35/68/1041093568.db2.gz OLMQZTKAPJOZAD-VIFPVBQESA-N -1 0 346.196 3.664 20 0 EHADRM COc1ccc(OC(C)C)c(NC(=O)[C@@H](CC(=O)[O-])CC(C)C)c1 ZINC000899773219 1041109814 /nfs/dbraw/zinc/10/98/14/1041109814.db2.gz ZCAAUVKPAJPNAM-CYBMUJFWSA-N -1 0 337.416 3.558 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000899772780 1041110449 /nfs/dbraw/zinc/11/04/49/1041110449.db2.gz XFDXXMLGGJTWCP-CQSZACIVSA-N -1 0 342.395 3.949 20 0 EHADRM CCSCc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C(=O)[O-])cc1 ZINC000899788678 1041126500 /nfs/dbraw/zinc/12/65/00/1041126500.db2.gz HWNKHJMEJHSOSC-DFHZNHDVSA-N -1 0 345.464 3.791 20 0 EHADRM C[C@H](C(=O)N1CCc2cccc(C(=O)[O-])c2C1)c1ccc(Cl)cc1 ZINC000652074654 1041127632 /nfs/dbraw/zinc/12/76/32/1041127632.db2.gz OSCKEQWOJCQZQV-LBPRGKRZSA-N -1 0 343.810 3.727 20 0 EHADRM Cc1cccc2c1CCC[C@@H]2NC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000909991891 1041131029 /nfs/dbraw/zinc/13/10/29/1041131029.db2.gz MAIFEQGQKKCRET-DZIBYMRMSA-N -1 0 327.424 3.524 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C(=O)[O-])c1 ZINC000899798310 1041134388 /nfs/dbraw/zinc/13/43/88/1041134388.db2.gz ILCDFRPQFDRTSL-ATOXUGOLSA-N -1 0 339.435 3.572 20 0 EHADRM C[C@@H](C1CCCCC1)N(C)C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC000910020833 1041138218 /nfs/dbraw/zinc/13/82/18/1041138218.db2.gz CMPZIYWQSXDNDL-ZDUSSCGKSA-N -1 0 342.439 3.836 20 0 EHADRM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccn(CCC(C)C)n1 ZINC000481611247 1041139521 /nfs/dbraw/zinc/13/95/21/1041139521.db2.gz DOZJWVKHNMRQRL-UHFFFAOYSA-N -1 0 341.864 3.692 20 0 EHADRM CC(C)(C)Oc1ccccc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-] ZINC000899807974 1041154670 /nfs/dbraw/zinc/15/46/70/1041154670.db2.gz GXXKGSJFLGFUET-MEGQDDJESA-N -1 0 343.423 3.715 20 0 EHADRM C/C=C(\CC)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000910039693 1041161929 /nfs/dbraw/zinc/16/19/29/1041161929.db2.gz XCKHBNNRBNMOST-YCRREMRBSA-N -1 0 331.290 3.621 20 0 EHADRM Cc1ccc([C@H](CC(=O)N2CCc3ccccc3[C@@H]2C)C(=O)[O-])cc1 ZINC000899818798 1041177096 /nfs/dbraw/zinc/17/70/96/1041177096.db2.gz IJBYBJJUQCWNNY-KXBFYZLASA-N -1 0 337.419 3.699 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)c2nc3ccccc3cc2Cl)s1 ZINC000571092000 1041179996 /nfs/dbraw/zinc/17/99/96/1041179996.db2.gz GZZQJDDGMJLBAA-UHFFFAOYSA-N -1 0 346.843 3.757 20 0 EHADRM CC1(CC(=O)N2CCC[C@@H]2c2nc(C(=O)[O-])cs2)CCCCC1 ZINC000910102645 1041192193 /nfs/dbraw/zinc/19/21/93/1041192193.db2.gz KQKKEXMALCUDCM-CYBMUJFWSA-N -1 0 336.457 3.865 20 0 EHADRM CCC[C@@H]1CCC[C@H]1C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])cs1 ZINC000910105323 1041192975 /nfs/dbraw/zinc/19/29/75/1041192975.db2.gz UTGYZFRPQYMFHM-YRGRVCCFSA-N -1 0 336.457 3.721 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)N2CCC[C@H]2c2nc(C(=O)[O-])cs2)C1(C)C ZINC000910111938 1041194592 /nfs/dbraw/zinc/19/45/92/1041194592.db2.gz IAQRUIFNINNIKH-KWCYVHTRSA-N -1 0 348.468 3.743 20 0 EHADRM CCC[C@@]1(C(=O)[O-])CCCN1C(=O)C[C@@H](c1ccc(O)cc1)C1CC1 ZINC000910115058 1041196251 /nfs/dbraw/zinc/19/62/51/1041196251.db2.gz NBDUVNXQBISJCO-XLIONFOSSA-N -1 0 345.439 3.522 20 0 EHADRM Cc1ccc(C)c(C(=O)Nc2ccc3c(c2)C[C@@H](C)O3)c1C(=O)[O-] ZINC000899843845 1041206577 /nfs/dbraw/zinc/20/65/77/1041206577.db2.gz YTIYQUDLDUSUKS-GFCCVEGCSA-N -1 0 325.364 3.577 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)[C@@H](CC(=O)[O-])CC(C)C)C(C)(C)C ZINC000899853524 1041214700 /nfs/dbraw/zinc/21/47/00/1041214700.db2.gz WYZYKDJAPLNOQP-PBHICJAKSA-N -1 0 334.460 3.730 20 0 EHADRM Cc1cc(C)cc([C@H](C)NC(=O)N(C)C2(C(=O)[O-])CCCCC2)c1 ZINC000555843923 1041217253 /nfs/dbraw/zinc/21/72/53/1041217253.db2.gz SDAKROXNJZCJEV-HNNXBMFYSA-N -1 0 332.444 3.793 20 0 EHADRM CC[C@@](C)(NC(=O)NC[C@H](C)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000555845362 1041217438 /nfs/dbraw/zinc/21/74/38/1041217438.db2.gz KNMSSQKSRZMQNH-BJOHPYRUSA-N -1 0 347.242 3.649 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)c2c(C)ccc(C)c2C(=O)[O-])cc1C ZINC000899847732 1041219950 /nfs/dbraw/zinc/21/99/50/1041219950.db2.gz VGGKZSCCQVQUBY-CQSZACIVSA-N -1 0 341.407 3.810 20 0 EHADRM COc1cc(Cl)c(F)cc1NC(=O)[C@@H](CC(=O)[O-])CC(C)C ZINC000899850820 1041223061 /nfs/dbraw/zinc/22/30/61/1041223061.db2.gz MVFCDYGHTHRLKS-SECBINFHSA-N -1 0 331.771 3.563 20 0 EHADRM CCCc1ccccc1C(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)ccc1C ZINC001625901985 1041467552 /nfs/dbraw/zinc/46/75/52/1041467552.db2.gz TVZXYECAGPKETN-UHFFFAOYSA-N -1 0 336.395 3.691 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1 ZINC000047215549 1041581294 /nfs/dbraw/zinc/58/12/94/1041581294.db2.gz BQFDJWFYXKQQSD-UHFFFAOYSA-N -1 0 332.208 3.803 20 0 EHADRM C[C@@H](N=c1[n-]nc(C(F)F)o1)c1ccc(Oc2cccnc2)cc1 ZINC000432134229 1041630099 /nfs/dbraw/zinc/63/00/99/1041630099.db2.gz CLZFGLNMZIRQMT-SNVBAGLBSA-N -1 0 332.310 3.790 20 0 EHADRM Cc1cccc(COc2ccc(CN=c3[n-]nc(C(F)F)o3)cc2)c1 ZINC000432136852 1041638039 /nfs/dbraw/zinc/63/80/39/1041638039.db2.gz BXPBOBNVXLIRFY-UHFFFAOYSA-N -1 0 345.349 3.929 20 0 EHADRM Cc1c(Cl)cc(NC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1Cl ZINC000647694788 1041713391 /nfs/dbraw/zinc/71/33/91/1041713391.db2.gz VTFCUKDFIQHYHK-DTWKUNHWSA-N -1 0 331.199 3.677 20 0 EHADRM O=C(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)C(F)(F)c1nccs1 ZINC000756714491 1042052423 /nfs/dbraw/zinc/05/24/23/1042052423.db2.gz GXBCAEIWJLMXLN-GMSGAONNSA-N -1 0 346.761 3.700 20 0 EHADRM CSc1nc(N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc(C(F)F)n1 ZINC000662881907 1042184710 /nfs/dbraw/zinc/18/47/10/1042184710.db2.gz DAKHMBNWKURUBN-HRDYMLBCSA-N -1 0 345.415 3.683 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)C2CCC(C3CC3)CC2)c2ccccc21 ZINC000663054874 1042401121 /nfs/dbraw/zinc/40/11/21/1042401121.db2.gz RSDUNPRYYQIKRU-DQPZFDDXSA-N -1 0 327.424 3.808 20 0 EHADRM Cc1ccc(CC(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000013256855 1042437808 /nfs/dbraw/zinc/43/78/08/1042437808.db2.gz XMUYYFRFFHWIEQ-MRXNPFEDSA-N -1 0 331.799 3.523 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(Oc2ccccn2)cc1 ZINC000663100168 1042451314 /nfs/dbraw/zinc/45/13/14/1042451314.db2.gz LLZMQNYTGSUNQS-HNNXBMFYSA-N -1 0 328.368 3.559 20 0 EHADRM O=C([O-])c1ccc(OCCN2CC=C(C(F)(F)F)CC2)c(Cl)c1 ZINC000652425056 1042468728 /nfs/dbraw/zinc/46/87/28/1042468728.db2.gz YXFPNCUSWOOKQK-UHFFFAOYSA-N -1 0 349.736 3.611 20 0 EHADRM Cc1ccccc1[C@H](C(=O)[O-])N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000652434887 1042474732 /nfs/dbraw/zinc/47/47/32/1042474732.db2.gz GXWGRSXOWZTYHQ-RDTXWAMCSA-N -1 0 345.826 3.927 20 0 EHADRM O=C([O-])[C@@H](c1ccccc1)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000652435165 1042475132 /nfs/dbraw/zinc/47/51/32/1042475132.db2.gz RWKGHGJPNTWQRG-RHSMWYFYSA-N -1 0 331.799 3.619 20 0 EHADRM Cc1ccc(CCCNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c(C)c1 ZINC000909397972 1042492394 /nfs/dbraw/zinc/49/23/94/1042492394.db2.gz AUJNTUFOCNPXDA-UHFFFAOYSA-N -1 0 343.467 3.777 20 0 EHADRM C[C@H](CC(=O)c1ccccc1)NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184494427 1042563480 /nfs/dbraw/zinc/56/34/80/1042563480.db2.gz UCLWUYIFUVWPGO-SNVBAGLBSA-N -1 0 335.762 3.576 20 0 EHADRM Cc1cccc2c1CCC[C@H]2NC(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000663228570 1042574048 /nfs/dbraw/zinc/57/40/48/1042574048.db2.gz JPARYCBIQDDNLI-RTBURBONSA-N -1 0 337.419 3.747 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000662226322 1042617377 /nfs/dbraw/zinc/61/73/77/1042617377.db2.gz OJZDBEPTMPKRSR-UHFFFAOYSA-N -1 0 336.819 3.928 20 0 EHADRM Cc1nc(Cc2noc(-c3cc(Cl)c4ccccc4c3[O-])n2)no1 ZINC000184841103 1042621237 /nfs/dbraw/zinc/62/12/37/1042621237.db2.gz INLSUAWZCGHURJ-UHFFFAOYSA-N -1 0 342.742 3.531 20 0 EHADRM CO[C@H](C)c1nc(=NCc2ccc(OC3CCCCC3)cc2)s[n-]1 ZINC000509730330 1042642604 /nfs/dbraw/zinc/64/26/04/1042642604.db2.gz SBECCQTYEYXXBE-CYBMUJFWSA-N -1 0 347.484 3.991 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-] ZINC000601992104 1042654702 /nfs/dbraw/zinc/65/47/02/1042654702.db2.gz JRPRZJMPZZSHCV-SFYZADRCSA-N -1 0 333.862 3.595 20 0 EHADRM CC(C)(NC(=O)c1cc(F)c([O-])c(F)c1)c1ccc(F)c(F)c1 ZINC000186854218 1042717790 /nfs/dbraw/zinc/71/77/90/1042717790.db2.gz YOEOYXKZXAPLIL-UHFFFAOYSA-N -1 0 327.277 3.614 20 0 EHADRM COc1cc(NC(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)ccc1F ZINC000186907436 1042725393 /nfs/dbraw/zinc/72/53/93/1042725393.db2.gz PJIRZKALSDXLTQ-SFHVURJKSA-N -1 0 337.391 3.834 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)NCC3(C(=O)[O-])CCC3)ccc21 ZINC000663344197 1042726612 /nfs/dbraw/zinc/72/66/12/1042726612.db2.gz CEBUINCDTGWHBV-UHFFFAOYSA-N -1 0 343.427 3.674 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1nc(C2CC2)cs1 ZINC000186969642 1042734263 /nfs/dbraw/zinc/73/42/63/1042734263.db2.gz PCRDEGVZTHBKNN-UHFFFAOYSA-N -1 0 326.468 3.543 20 0 EHADRM O=S(=O)([N-]c1ncc(-c2ccccc2F)s1)c1ccccc1 ZINC000549606715 1042812217 /nfs/dbraw/zinc/81/22/17/1042812217.db2.gz LEIZAGSWNNWYCR-UHFFFAOYSA-N -1 0 334.397 3.750 20 0 EHADRM C[C@H](CC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1F ZINC000653331212 1042868048 /nfs/dbraw/zinc/86/80/48/1042868048.db2.gz OIJNKMIUHUEOQO-XHBKTUGNSA-N -1 0 341.382 3.749 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cnccc2-c2ccccc2)c(C)o1 ZINC000432350085 1042986871 /nfs/dbraw/zinc/98/68/71/1042986871.db2.gz XHWZQKKELGULRG-UHFFFAOYSA-N -1 0 328.393 3.759 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cnccc2-c2ccccc2)c1F ZINC000432355020 1042991965 /nfs/dbraw/zinc/99/19/65/1042991965.db2.gz BBAPTLWHMVKZIZ-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM Cc1c2cc(C)ccc2sc1C(=O)N=c1[n-]ncn1-c1ccccc1 ZINC000512035281 1043017999 /nfs/dbraw/zinc/01/79/99/1043017999.db2.gz OMYROAWJLHOCOH-UHFFFAOYSA-N -1 0 348.431 3.773 20 0 EHADRM Fc1ccc2nc(CN=c3[n-]nc(Cc4ccsc4)o3)sc2c1 ZINC000432413561 1043121616 /nfs/dbraw/zinc/12/16/16/1043121616.db2.gz HRQAMHAMRGYUOA-UHFFFAOYSA-N -1 0 346.412 3.505 20 0 EHADRM CC(F)(F)c1ccc(C(=O)N=c2[n-]nc(-c3ccccc3)s2)cc1 ZINC000432418555 1043143932 /nfs/dbraw/zinc/14/39/32/1043143932.db2.gz SPMQFKHJJMKYLN-UHFFFAOYSA-N -1 0 345.374 3.991 20 0 EHADRM CC(C)(C)OC(=O)CN(C(=O)c1c([O-])cccc1F)c1ccccc1 ZINC000187041078 1043774396 /nfs/dbraw/zinc/77/43/96/1043774396.db2.gz WPZUYOKFABYTBJ-UHFFFAOYSA-N -1 0 345.370 3.520 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(COC(C)C)cc2)c(C(=O)[O-])c1 ZINC000323856720 1043995938 /nfs/dbraw/zinc/99/59/38/1043995938.db2.gz DSQHVFQTRSZEAV-UHFFFAOYSA-N -1 0 327.380 3.871 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2ccc3ccc(Cl)cc3n2)c1 ZINC000344435851 1044001513 /nfs/dbraw/zinc/00/15/13/1044001513.db2.gz CPAJTLUVKWUPMO-UHFFFAOYSA-N -1 0 340.766 3.516 20 0 EHADRM CC(C)(C)c1ccc(CCCC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000236583092 1044481312 /nfs/dbraw/zinc/48/13/12/1044481312.db2.gz MNVMPPKFCNDQLD-DOTOQJQBSA-N -1 0 331.456 3.676 20 0 EHADRM Cc1oc2ccccc2c1CCNC(=O)c1cc(F)c(F)c([O-])c1F ZINC000344857611 1044543855 /nfs/dbraw/zinc/54/38/55/1044543855.db2.gz OBBMJBOYIDVNDH-UHFFFAOYSA-N -1 0 349.308 3.837 20 0 EHADRM COC(=O)c1c[nH]c(SCc2ccc(C)c(Br)c2)n1 ZINC000432651771 1044623963 /nfs/dbraw/zinc/62/39/63/1044623963.db2.gz AEQISTOGSFLILN-UHFFFAOYSA-N -1 0 341.230 3.560 20 0 EHADRM O=S(=O)(N[C@@H]1CC[C@@H](F)C1)c1ccc(Cl)cc1C(F)(F)F ZINC000344925031 1044696687 /nfs/dbraw/zinc/69/66/87/1044696687.db2.gz XCFSLGIACPMJDA-RKDXNWHRSA-N -1 0 345.745 3.528 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2nc3ccsc3s2)cc1 ZINC000344968867 1044752086 /nfs/dbraw/zinc/75/20/86/1044752086.db2.gz FQSIIWCDLQLDEW-UHFFFAOYSA-N -1 0 342.492 3.881 20 0 EHADRM O=C([O-])C1(CC(=O)NCc2cccc(C(F)(F)F)c2)CCCCC1 ZINC000324911220 1044778237 /nfs/dbraw/zinc/77/82/37/1044778237.db2.gz RVMAVQCRDDQUDD-UHFFFAOYSA-N -1 0 343.345 3.747 20 0 EHADRM CCCc1cnc([N-]S(=O)(=O)c2c(F)cccc2Cl)s1 ZINC000153563164 1125632591 /nfs/dbraw/zinc/63/25/91/1125632591.db2.gz ZVSQKHFFBDOIBP-UHFFFAOYSA-N -1 0 334.825 3.689 20 0 EHADRM O=C(c1s[n-]c(=O)c1Cl)N1CCC[C@H](C2CCCCC2)C1 ZINC000620690565 1125648715 /nfs/dbraw/zinc/64/87/15/1125648715.db2.gz XWYNUORCELMOFV-NSHDSACASA-N -1 0 328.865 3.935 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)CCCCCC1 ZINC000620753039 1125694637 /nfs/dbraw/zinc/69/46/37/1125694637.db2.gz VWMHOSNEJBPJQB-HZPDHXFCSA-N -1 0 333.403 3.613 20 0 EHADRM O=C(Cc1ccc2c(c1)OCO2)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000154677988 1125745192 /nfs/dbraw/zinc/74/51/92/1125745192.db2.gz OOWXTXIFDVKTCV-UHFFFAOYSA-N -1 0 340.162 3.609 20 0 EHADRM O=C(Nc1ccn(CC(F)(F)F)n1)c1ccc2ccccc2c1O ZINC000154862173 1125760837 /nfs/dbraw/zinc/76/08/37/1125760837.db2.gz GDDBKFYWTDTEII-UHFFFAOYSA-N -1 0 335.285 3.557 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CCc2cc(F)ccc2C1 ZINC000622478811 1126705439 /nfs/dbraw/zinc/70/54/39/1126705439.db2.gz VDFWEEOXSOWCBM-UHFFFAOYSA-N -1 0 339.288 3.749 20 0 EHADRM O=C(NC[C@H]1CCCC(F)(F)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000622583459 1126724118 /nfs/dbraw/zinc/72/41/18/1126724118.db2.gz XUAOUXZAVQSTIK-VIFPVBQESA-N -1 0 337.288 3.966 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)s1 ZINC000072601992 1126790243 /nfs/dbraw/zinc/79/02/43/1126790243.db2.gz NWNPSKUJDZYOFS-UHFFFAOYSA-N -1 0 336.482 3.848 20 0 EHADRM COc1cc(/C=C/c2ncc(C(=O)[O-])c(C(C)C)n2)cc(Cl)c1O ZINC000172488467 1126795880 /nfs/dbraw/zinc/79/58/80/1126795880.db2.gz JZOQVOSWJXJSJH-SNAWJCMRSA-N -1 0 348.786 3.836 20 0 EHADRM Cc1cc(NC(=O)c2nc(C(C)C)ncc2Cl)cc(C(=O)[O-])c1C ZINC000336877548 1126814405 /nfs/dbraw/zinc/81/44/05/1126814405.db2.gz QCONVHIVJRZEHA-UHFFFAOYSA-N -1 0 347.802 3.821 20 0 EHADRM COC1(C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)CCCCC1 ZINC000185783019 1127011050 /nfs/dbraw/zinc/01/10/50/1127011050.db2.gz YBDLLIAUHCZWEO-UHFFFAOYSA-N -1 0 331.334 3.603 20 0 EHADRM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000073134876 1127063794 /nfs/dbraw/zinc/06/37/94/1127063794.db2.gz PIGKHWWVZAPCAH-AWEZNQCLSA-N -1 0 344.798 3.657 20 0 EHADRM Cc1oc2ccccc2c1C(=O)NNC(=O)c1ccc(Cl)cc1F ZINC000185966852 1127216432 /nfs/dbraw/zinc/21/64/32/1127216432.db2.gz DAXOTXUSPMRHLY-UHFFFAOYSA-N -1 0 346.745 3.609 20 0 EHADRM CCCCc1nnc([N-]S(=O)(=O)c2cccc(C)c2Cl)s1 ZINC000181135702 1127267341 /nfs/dbraw/zinc/26/73/41/1127267341.db2.gz LVLSBEKDLORMNS-UHFFFAOYSA-N -1 0 345.877 3.643 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ncc(C(C)C)s2)c(C)c1F ZINC000181322283 1127274230 /nfs/dbraw/zinc/27/42/30/1127274230.db2.gz IHJYFVUWQAJOAV-UHFFFAOYSA-N -1 0 344.433 3.523 20 0 EHADRM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000183582463 1127381744 /nfs/dbraw/zinc/38/17/44/1127381744.db2.gz NJBTXCBNPMHZRL-ABKXIKBNSA-N -1 0 335.325 3.863 20 0 EHADRM CN(C(=O)c1cc(F)c(F)c([O-])c1F)c1ccc(F)c(Cl)c1 ZINC000184047679 1127393349 /nfs/dbraw/zinc/39/33/49/1127393349.db2.gz LLFNHBOKEDULKD-UHFFFAOYSA-N -1 0 333.668 3.879 20 0 EHADRM COc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2F)c2ccccc12 ZINC000193242875 1127435028 /nfs/dbraw/zinc/43/50/28/1127435028.db2.gz UCWZZYUGOUTPOP-UHFFFAOYSA-N -1 0 339.322 3.938 20 0 EHADRM CC[C@H](C(=O)[N-]S(=O)(=O)/C=C/c1ccccc1)C1CCC(C)CC1 ZINC000764754015 1127528712 /nfs/dbraw/zinc/52/87/12/1127528712.db2.gz MHAVYMYNBPZHDE-HGXMGAHLSA-N -1 0 349.496 3.956 20 0 EHADRM Cc1ccc(/C=C\S(=O)(=O)[N-]c2ccn(CCC(C)C)n2)cc1 ZINC000765100898 1127574539 /nfs/dbraw/zinc/57/45/39/1127574539.db2.gz BBBDFCPIFIFHLC-RAXLEYEMSA-N -1 0 333.457 3.650 20 0 EHADRM Cc1cccc(C(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)c1C ZINC000022416632 1127689456 /nfs/dbraw/zinc/68/94/56/1127689456.db2.gz ZRSRRJLDYNJQAX-UHFFFAOYSA-N -1 0 337.419 3.744 20 0 EHADRM O=C(Nc1cccc(NC(=O)C2CC2)c1)c1cc(Cl)ccc1[O-] ZINC000031135812 1127829406 /nfs/dbraw/zinc/82/94/06/1127829406.db2.gz HXVRFYUVGVCRPY-UHFFFAOYSA-N -1 0 330.771 3.646 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccnc(C)n3)c2)s1 ZINC000032592469 1127853795 /nfs/dbraw/zinc/85/37/95/1127853795.db2.gz AYXOEZRFKQWCQN-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)c3c[n-]ncc3=O)c2)C1 ZINC001626055249 1127908152 /nfs/dbraw/zinc/90/81/52/1127908152.db2.gz BNQBMESHZIUXJV-XJKSGUPXSA-N -1 0 341.411 3.530 20 0 EHADRM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)c1 ZINC000472780757 1128005381 /nfs/dbraw/zinc/00/53/81/1128005381.db2.gz AOWIADZSRAPJAL-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM C[C@@H](CNC(=O)c1ccc(Oc2ccc(F)cc2F)cc1)CC(=O)[O-] ZINC000347527065 1128043115 /nfs/dbraw/zinc/04/31/15/1128043115.db2.gz VLZZXGJBVRFXLG-LLVKDONJSA-N -1 0 349.333 3.598 20 0 EHADRM O=C([O-])c1cc(/C=C/c2cccc3c2OCCO3)nc2ccccc21 ZINC000059592192 1128090464 /nfs/dbraw/zinc/09/04/64/1128090464.db2.gz MZSYCDYLLGPJJL-CMDGGOBGSA-N -1 0 333.343 3.875 20 0 EHADRM CC(C)Oc1ccc(F)cc1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000066682725 1128223318 /nfs/dbraw/zinc/22/33/18/1128223318.db2.gz ATJNRQHLPHSXEM-UHFFFAOYSA-N -1 0 340.354 3.707 20 0 EHADRM CCOc1cc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)ccc1C ZINC000066965909 1128230894 /nfs/dbraw/zinc/23/08/94/1128230894.db2.gz WWSOQABTPDMPIM-HXUWFJFHSA-N -1 0 341.407 3.765 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)NC(CC(C)C)CC(C)C)cc2=O)cc1 ZINC000073385870 1128322263 /nfs/dbraw/zinc/32/22/63/1128322263.db2.gz KVMLKSWCGKVQEO-UHFFFAOYSA-N -1 0 343.471 3.665 20 0 EHADRM CCCCN(C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)[C@H](C)CC ZINC000073488742 1128323639 /nfs/dbraw/zinc/32/36/39/1128323639.db2.gz GRKKMBPVPAFCRV-OAHLLOKOSA-N -1 0 329.444 3.515 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc3[n-]c(=S)oc3c2)c2c(O)cccc21 ZINC000186283308 1128373939 /nfs/dbraw/zinc/37/39/39/1128373939.db2.gz WHFFCSZZMZHRBA-SNVBAGLBSA-N -1 0 340.404 3.976 20 0 EHADRM CC(C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000073532636 1128391750 /nfs/dbraw/zinc/39/17/50/1128391750.db2.gz CPLXFBVMGNPABJ-MRVPVSSYSA-N -1 0 341.326 3.782 20 0 EHADRM CC[C@@H](NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccc(C)cc1 ZINC000655858919 1128508955 /nfs/dbraw/zinc/50/89/55/1128508955.db2.gz BJVNVHKZVWZJCJ-XLNGHYISSA-N -1 0 346.471 3.881 20 0 EHADRM COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2ccccc2C)c1 ZINC000106722800 1128509005 /nfs/dbraw/zinc/50/90/05/1128509005.db2.gz KMGDYWZWEWCSGU-UHFFFAOYSA-N -1 0 335.425 3.592 20 0 EHADRM CCCc1ccc(CNc2c(C)nc([O-])n([C@H](C)CC)c2=O)cc1 ZINC001168634983 1128520159 /nfs/dbraw/zinc/52/01/59/1128520159.db2.gz BNXWDCNETZBKFY-CYBMUJFWSA-N -1 0 329.444 3.793 20 0 EHADRM O=C(N=c1ncn(C2CCCCC2)[n-]1)N(CC1CCCCC1)C1CC1 ZINC000542717159 1128559013 /nfs/dbraw/zinc/55/90/13/1128559013.db2.gz DQNJYOYBGXYACX-UHFFFAOYSA-N -1 0 345.491 3.782 20 0 EHADRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000055631945 1128525230 /nfs/dbraw/zinc/52/52/30/1128525230.db2.gz JJBPCMPPDUAQBJ-UHFFFAOYSA-N -1 0 329.780 3.679 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2ccc(CC)s2)c(C)c1 ZINC000055663338 1128526329 /nfs/dbraw/zinc/52/63/29/1128526329.db2.gz UNAKARFTKJZDEA-UHFFFAOYSA-N -1 0 325.455 3.818 20 0 EHADRM Cc1nc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)nc2c1CCCC2 ZINC000542756434 1128581488 /nfs/dbraw/zinc/58/14/88/1128581488.db2.gz USGPVMAUZNUKPG-UHFFFAOYSA-N -1 0 345.468 3.588 20 0 EHADRM CN(Cc1ccc(Cl)c(F)c1)C(=O)c1c([O-])cc(F)cc1F ZINC000155983342 1128585274 /nfs/dbraw/zinc/58/52/74/1128585274.db2.gz OOGZTSVKYZNLRG-UHFFFAOYSA-N -1 0 329.705 3.735 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)c(F)c1 ZINC000404894827 1128701478 /nfs/dbraw/zinc/70/14/78/1128701478.db2.gz BFUJSHRMRJAUGV-UHFFFAOYSA-N -1 0 331.315 3.536 20 0 EHADRM COc1cccc(-c2noc(-c3cc(Br)ccc3[O-])n2)c1 ZINC000149385150 1128807438 /nfs/dbraw/zinc/80/74/38/1128807438.db2.gz AMELLUPJOUTFAJ-UHFFFAOYSA-N -1 0 347.168 3.880 20 0 EHADRM CC[C@@H]1CN(C(=O)c2c([O-])cc(Cl)cc2Cl)C[C@@H](CC)O1 ZINC001648852318 1120054310 /nfs/dbraw/zinc/05/43/10/1120054310.db2.gz ZAUHITDQPAHHPN-GHMZBOCLSA-N -1 0 332.227 3.729 20 0 EHADRM O=C([O-])C1(CNc2nccc3c(Br)cccc32)CCC1 ZINC000236421905 1120101699 /nfs/dbraw/zinc/10/16/99/1120101699.db2.gz SJTQSGKFXROLAH-UHFFFAOYSA-N -1 0 335.201 3.664 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)c1csc(-c2ccc(F)cc2)n1 ZINC000013261444 1128908283 /nfs/dbraw/zinc/90/82/83/1128908283.db2.gz OFKOKJSGSJFBCS-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM CC[C@H](NCc1c(Cl)oc2ccccc21)c1nc(C(=O)[O-])c[nH]1 ZINC000904065500 1120351265 /nfs/dbraw/zinc/35/12/65/1120351265.db2.gz SIMRUTIYIUQVFU-NSHDSACASA-N -1 0 333.775 3.748 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)c2ncccc12 ZINC000184919881 1120392516 /nfs/dbraw/zinc/39/25/16/1120392516.db2.gz POOYMNYAEVSOBQ-UHFFFAOYSA-N -1 0 346.383 3.573 20 0 EHADRM CCc1cccc(C)c1[N-]S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000185162571 1120402219 /nfs/dbraw/zinc/40/22/19/1120402219.db2.gz WMUQRFVVLAZSMY-UHFFFAOYSA-N -1 0 332.400 3.979 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)C[C@@H]1CSCCS1 ZINC000761604637 1120455757 /nfs/dbraw/zinc/45/57/57/1120455757.db2.gz VVCBXKVUTMXCHF-CYBMUJFWSA-N -1 0 347.461 3.715 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)sc1Cl ZINC000190275867 1120631570 /nfs/dbraw/zinc/63/15/70/1120631570.db2.gz BKNHGSDPMRJQSW-UHFFFAOYSA-N -1 0 326.830 3.992 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)c2cc(Cl)sc2Cl)c1 ZINC000223843494 1120656081 /nfs/dbraw/zinc/65/60/81/1120656081.db2.gz RDAXFIMQQBFJOO-UHFFFAOYSA-N -1 0 346.191 3.771 20 0 EHADRM COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2cccc(Cl)c2[O-])c1 ZINC000191940501 1120703675 /nfs/dbraw/zinc/70/36/75/1120703675.db2.gz USTCLWADBFBAMH-AAEUAGOBSA-N -1 0 347.798 3.805 20 0 EHADRM O=S(=O)([N-]c1cc(-c2ccc(Cl)s2)on1)c1ccccc1 ZINC000193132605 1120760365 /nfs/dbraw/zinc/76/03/65/1120760365.db2.gz RDBWWNPCVDGGKS-UHFFFAOYSA-N -1 0 340.813 3.857 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccccc2OC(F)(F)F)cc1F ZINC000761746686 1120871669 /nfs/dbraw/zinc/87/16/69/1120871669.db2.gz XFCQWQXEGADLMD-UHFFFAOYSA-N -1 0 343.232 3.675 20 0 EHADRM O=C([N-]OCc1cccnc1)C1(c2cccc(F)c2)CCCCC1 ZINC000153285408 1120936326 /nfs/dbraw/zinc/93/63/26/1120936326.db2.gz FFZRBFLQECZLHN-UHFFFAOYSA-N -1 0 328.387 3.671 20 0 EHADRM Cc1c(NC(=O)COc2ccc(F)c(Cl)c2)cccc1C(=O)[O-] ZINC000914731700 1120966735 /nfs/dbraw/zinc/96/67/35/1120966735.db2.gz NFOVLOGWSTUXRT-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM CCCCC[C@H]1CCCN1C(=O)N=c1[n-]nc(SCC)s1 ZINC000495155644 1120971358 /nfs/dbraw/zinc/97/13/58/1120971358.db2.gz ZRXCLJUMBRAYJG-NSHDSACASA-N -1 0 328.507 3.649 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)c2cc3c(cccc3F)s2)C1 ZINC000324388177 1121108031 /nfs/dbraw/zinc/10/80/31/1121108031.db2.gz LWFKYKMOWPKSFB-KRWDZBQOSA-N -1 0 335.400 3.613 20 0 EHADRM C[C@H](c1cc2ccccc2o1)N(C)C(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000324398946 1121130487 /nfs/dbraw/zinc/13/04/87/1121130487.db2.gz RWZMEMKZMLQZNO-YUELXQCFSA-N -1 0 329.396 3.843 20 0 EHADRM CC(C)C(=O)Nc1ccc(C(=O)Nc2cccc(Cl)c2[O-])cc1 ZINC000077012573 1128974940 /nfs/dbraw/zinc/97/49/40/1128974940.db2.gz VNMVUEVSCXDSIO-UHFFFAOYSA-N -1 0 332.787 3.892 20 0 EHADRM CCOc1cc(C(=O)Nc2n[nH]c3ccccc32)cc(Cl)c1O ZINC000762578871 1121363530 /nfs/dbraw/zinc/36/35/30/1121363530.db2.gz MORKIWPXTQVWNP-UHFFFAOYSA-N -1 0 331.759 3.573 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000762607452 1121381305 /nfs/dbraw/zinc/38/13/05/1121381305.db2.gz XXHNQMFGZGGKOD-HNNXBMFYSA-N -1 0 339.288 3.926 20 0 EHADRM O=C(c1n[n-]c2ccccc2c1=O)N1CCCC[C@@H]1c1ccccc1 ZINC000762728280 1121433911 /nfs/dbraw/zinc/43/39/11/1121433911.db2.gz GPNLVKJAJUDDRK-QGZVFWFLSA-N -1 0 333.391 3.703 20 0 EHADRM CC(C)(C)c1ccc(C(=O)NC[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000236577688 1121457738 /nfs/dbraw/zinc/45/77/38/1121457738.db2.gz ZDTLAWFQSSEDLZ-KRWDZBQOSA-N -1 0 339.435 3.657 20 0 EHADRM CCCc1sc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1CC ZINC000236952272 1121469490 /nfs/dbraw/zinc/46/94/90/1121469490.db2.gz VGASHDNZWLEXBN-ZDUSSCGKSA-N -1 0 337.485 3.980 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)C1(c2cccc(Cl)c2)CCCCC1 ZINC000237253660 1121478029 /nfs/dbraw/zinc/47/80/29/1121478029.db2.gz LXQRMHYFFODMDD-UHFFFAOYSA-N -1 0 337.847 3.865 20 0 EHADRM CSCc1ccc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000237384289 1121482166 /nfs/dbraw/zinc/48/21/66/1121482166.db2.gz OHNIKOWUHDTXSV-UHFFFAOYSA-N -1 0 329.421 3.520 20 0 EHADRM Cc1ccc(/C=C/C(=O)Nc2cccc(CSCC(=O)[O-])c2)o1 ZINC000237827313 1121496246 /nfs/dbraw/zinc/49/62/46/1121496246.db2.gz PMQJYXAQTFJUCB-BQYQJAHWSA-N -1 0 331.393 3.558 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1ccn(-c2cccc(F)c2)n1 ZINC000672486565 1128988197 /nfs/dbraw/zinc/98/81/97/1128988197.db2.gz BGORCGGJCPUQGI-UHFFFAOYSA-N -1 0 349.724 3.762 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)/C=C/c2cc3ccccc3o2)C1 ZINC000238016140 1121500436 /nfs/dbraw/zinc/50/04/36/1121500436.db2.gz AXSINVMYGPPDPR-MYSGNRETSA-N -1 0 327.380 3.549 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc2ccccc2s1 ZINC000262489877 1121552496 /nfs/dbraw/zinc/55/24/96/1121552496.db2.gz KWLIXVFEGIXCNA-YUTCNCBUSA-N -1 0 329.421 3.759 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)[C@H]1Cc2ccccc2S1 ZINC000762967853 1121618435 /nfs/dbraw/zinc/61/84/35/1121618435.db2.gz QZHBCGYBVFWGJQ-CQSZACIVSA-N -1 0 328.418 3.772 20 0 EHADRM COCc1cccc([N-]S(=O)(=O)c2ccc(C)cc2Cl)c1 ZINC000026547150 1121664159 /nfs/dbraw/zinc/66/41/59/1121664159.db2.gz WMLBVOQIVULSEJ-UHFFFAOYSA-N -1 0 325.817 3.596 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1 ZINC000325897679 1121694549 /nfs/dbraw/zinc/69/45/49/1121694549.db2.gz VUJDFBZPRFPWNJ-UHFFFAOYSA-N -1 0 337.297 3.975 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2Cl)cc1F ZINC000055619025 1121854218 /nfs/dbraw/zinc/85/42/18/1121854218.db2.gz LZVUTNHBSSTPLH-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2ccccc2OC(F)(F)F)CCCC1 ZINC000324553912 1121931605 /nfs/dbraw/zinc/93/16/05/1121931605.db2.gz NDFAERKTEIWKLN-UHFFFAOYSA-N -1 0 345.317 3.949 20 0 EHADRM Fc1ccc2c(CCN=c3[n-]nc(-c4ccccc4)s3)c[nH]c2c1 ZINC000496147120 1121978401 /nfs/dbraw/zinc/97/84/01/1121978401.db2.gz JQLVBOMDZWRSBN-UHFFFAOYSA-N -1 0 338.411 3.902 20 0 EHADRM CCCCOc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000013389645 1129030339 /nfs/dbraw/zinc/03/03/39/1129030339.db2.gz YKXRKFHDERLTNO-HNNXBMFYSA-N -1 0 347.436 3.873 20 0 EHADRM O=C(COCCc1ccccc1)Nc1ccc(O)c(C(F)(F)F)c1 ZINC000125403648 1122314982 /nfs/dbraw/zinc/31/49/82/1122314982.db2.gz FQBNQPRDZFZRSD-UHFFFAOYSA-N -1 0 339.313 3.609 20 0 EHADRM CC1CCN(c2cccc([N-]S(=O)(=O)c3cccs3)c2)CC1 ZINC000125515983 1122318999 /nfs/dbraw/zinc/31/89/99/1122318999.db2.gz GXCLHVGJEBHNIR-UHFFFAOYSA-N -1 0 336.482 3.785 20 0 EHADRM CCc1cc(=O)[nH]c(CSCc2noc(-c3ccccc3C)n2)n1 ZINC000125543427 1122319747 /nfs/dbraw/zinc/31/97/47/1122319747.db2.gz LERRPLRBKLKULH-UHFFFAOYSA-N -1 0 342.424 3.536 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(CC(C)(C)C)[nH]n2)c1 ZINC000497847753 1122682325 /nfs/dbraw/zinc/68/23/25/1122682325.db2.gz RFVXBQMFMBTMBA-UHFFFAOYSA-N -1 0 341.864 3.761 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3c2OCCC3)c1 ZINC000498017377 1122734043 /nfs/dbraw/zinc/73/40/43/1122734043.db2.gz YTIVBMDRAJIVBJ-UHFFFAOYSA-N -1 0 337.828 3.774 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)Nc2ccc(OC3CCCC3)cc2)CC1 ZINC000262699564 1122735767 /nfs/dbraw/zinc/73/57/67/1122735767.db2.gz HNBSFJRPMKJNJT-HDJSIYSDSA-N -1 0 331.412 3.838 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc(-n2ccnc2)nc1 ZINC000154702765 1122793825 /nfs/dbraw/zinc/79/38/25/1122793825.db2.gz CQHKSKAMICJKAG-UHFFFAOYSA-N -1 0 349.177 3.532 20 0 EHADRM CCCN(C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)[C@H]1CCc2ccccc2C1 ZINC000262761930 1122872334 /nfs/dbraw/zinc/87/23/34/1122872334.db2.gz ZTZTXJGFFFKJKY-LNLFQRSKSA-N -1 0 343.467 3.674 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)c2cc(C(C)C)oc2C)c1 ZINC000556219448 1122884863 /nfs/dbraw/zinc/88/48/63/1122884863.db2.gz QAYPTZDETUUZFG-INIZCTEOSA-N -1 0 345.395 3.666 20 0 EHADRM Cc1ccc(OC(F)F)c(CN=c2[n-]nc(-c3ccccc3C)o2)c1 ZINC000556265895 1122906009 /nfs/dbraw/zinc/90/60/09/1122906009.db2.gz GVGJDJRAUZPRHW-UHFFFAOYSA-N -1 0 345.349 3.989 20 0 EHADRM CCCOc1cccc(CN=c2[n-]nc(-c3ccccc3OC)o2)c1 ZINC000556336537 1122934033 /nfs/dbraw/zinc/93/40/33/1122934033.db2.gz NLBDSWDRJMLFOG-UHFFFAOYSA-N -1 0 339.395 3.568 20 0 EHADRM COC(=O)c1csc(NC(=O)c2cc(F)c([O-])c(Cl)c2)c1C ZINC000195067187 1123141287 /nfs/dbraw/zinc/14/12/87/1123141287.db2.gz PHLVMQIMGZKUPQ-UHFFFAOYSA-N -1 0 343.763 3.594 20 0 EHADRM Clc1cccc([C@@H]2CC[C@@H](N=c3[n-]c(C4CCOCC4)no3)C2)c1 ZINC000556846879 1123152559 /nfs/dbraw/zinc/15/25/59/1123152559.db2.gz WKCKFGSSVNFVJA-GDBMZVCRSA-N -1 0 347.846 3.787 20 0 EHADRM CC(C)n1cnc(S(=O)(=O)[N-]c2cccc(OC3CCCC3)c2)c1 ZINC000131630103 1123153969 /nfs/dbraw/zinc/15/39/69/1123153969.db2.gz UEWZYIHBSWQIML-UHFFFAOYSA-N -1 0 349.456 3.586 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2cn(C(C)C)cn2)cc1Cl ZINC000132122136 1123203118 /nfs/dbraw/zinc/20/31/18/1123203118.db2.gz YVHMEFWCUJHWON-UHFFFAOYSA-N -1 0 345.877 3.640 20 0 EHADRM CC(C)(C)c1ccnc(SCc2nc(=O)c3sccc3[n-]2)n1 ZINC000920056921 1123272077 /nfs/dbraw/zinc/27/20/77/1123272077.db2.gz CFHNXOKONYQFCN-UHFFFAOYSA-N -1 0 332.454 3.777 20 0 EHADRM Cc1cc2cccnc2c([N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000132804841 1123302172 /nfs/dbraw/zinc/30/21/72/1123302172.db2.gz ZRLSTNVBOTZINC-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(OC)c(OC2CCCC2)c1 ZINC000920256247 1123343980 /nfs/dbraw/zinc/34/39/80/1123343980.db2.gz UOYUJXIXALSGJT-UHFFFAOYSA-N -1 0 349.427 3.846 20 0 EHADRM O=C(Nc1cc(Cl)ccc1O)c1ccc(Br)c([O-])c1 ZINC000133244416 1123367243 /nfs/dbraw/zinc/36/72/43/1123367243.db2.gz LNRFUPVRVGKDNQ-UHFFFAOYSA-N -1 0 342.576 3.766 20 0 EHADRM CCOC(=O)N(C)c1ccc(NC(=O)c2c([O-])cccc2Cl)cc1 ZINC000920462293 1123371973 /nfs/dbraw/zinc/37/19/73/1123371973.db2.gz BXZFTFWRWYBOFY-UHFFFAOYSA-N -1 0 348.786 3.891 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N2CCc3cccc(C(=O)[O-])c3C2)cc1 ZINC000649258099 1123461630 /nfs/dbraw/zinc/46/16/30/1123461630.db2.gz HTVXFUVPJJYDCH-AWEZNQCLSA-N -1 0 337.419 3.636 20 0 EHADRM Cc1ccc(NC(=O)Cc2ccccc2C(F)(F)F)cc1C(=O)[O-] ZINC000237625020 1123528063 /nfs/dbraw/zinc/52/80/63/1123528063.db2.gz WIDSZWOMXZUGTA-UHFFFAOYSA-N -1 0 337.297 3.893 20 0 EHADRM O=C(Nc1nnc(/C=C/c2ccco2)s1)c1ccc([O-])c(Cl)c1 ZINC000135260491 1123596066 /nfs/dbraw/zinc/59/60/66/1123596066.db2.gz JHWBWRJJPVIGGM-GQCTYLIASA-N -1 0 347.783 3.913 20 0 EHADRM Cc1cccc(N(C)C(=O)c2nn(-c3ccc(F)cc3C)cc2[O-])c1 ZINC000080478863 1123755597 /nfs/dbraw/zinc/75/55/97/1123755597.db2.gz WXNFETLCZAGARK-UHFFFAOYSA-N -1 0 339.370 3.610 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccccc2Cl)cnn1CCC(C)C ZINC000137825570 1123778142 /nfs/dbraw/zinc/77/81/42/1123778142.db2.gz WARCPCDNABQAQI-UHFFFAOYSA-N -1 0 341.864 3.692 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000237602208 1123786026 /nfs/dbraw/zinc/78/60/26/1123786026.db2.gz MDGFOEQYLPUDLH-VGMNTSGFSA-N -1 0 343.810 3.994 20 0 EHADRM Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000237710523 1123824423 /nfs/dbraw/zinc/82/44/23/1123824423.db2.gz MCNXDHLPUHXCDO-DHZHZOJOSA-N -1 0 334.375 3.755 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(OCC3CC3)cc2)cc1C(=O)[O-] ZINC000237720200 1123833696 /nfs/dbraw/zinc/83/36/96/1123833696.db2.gz UPNZVLZBUBTQBA-UHFFFAOYSA-N -1 0 325.364 3.734 20 0 EHADRM O=C(c1nn(-c2cccc(F)c2)cc1[O-])N(C1CC1)C1CCCCC1 ZINC000670776237 1123871543 /nfs/dbraw/zinc/87/15/43/1123871543.db2.gz GHJVQUOHYBLYBJ-UHFFFAOYSA-N -1 0 343.402 3.654 20 0 EHADRM [O-]c1c(Cl)cccc1CN1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000180021439 1123925078 /nfs/dbraw/zinc/92/50/78/1123925078.db2.gz ADORGYPODZSKCV-MRXNPFEDSA-N -1 0 339.769 3.897 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccc(SC(F)F)cc1 ZINC000237992804 1123941870 /nfs/dbraw/zinc/94/18/70/1123941870.db2.gz HXEJCAMOASQRNS-GFCCVEGCSA-N -1 0 343.395 3.861 20 0 EHADRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)Cc1cccc2ccccc21 ZINC000263496988 1123985194 /nfs/dbraw/zinc/98/51/94/1123985194.db2.gz YCFNWUJKNTYHSE-MSOLQXFVSA-N -1 0 325.408 3.532 20 0 EHADRM COc1ccc2[nH]c(NC(=O)c3ccc4[n-]c(=S)oc4c3)cc2c1 ZINC000763478292 1123995032 /nfs/dbraw/zinc/99/50/32/1123995032.db2.gz ZOJDPPQPLXGKEO-UHFFFAOYSA-N -1 0 339.376 3.859 20 0 EHADRM C[C@H](C(=O)NCCCCCCCC(=O)[O-])c1c(F)cccc1F ZINC000263547066 1124076182 /nfs/dbraw/zinc/07/61/82/1124076182.db2.gz UOKMRHGMINJMQQ-LBPRGKRZSA-N -1 0 327.371 3.610 20 0 EHADRM Cc1cc(OCC(=O)N=c2cc(-c3cccs3)[nH][nH]2)ccc1Cl ZINC000617365260 1124500106 /nfs/dbraw/zinc/50/01/06/1124500106.db2.gz CGTIQGUOMUALDV-UHFFFAOYSA-N -1 0 347.827 3.539 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2nc(Cl)ccc2Cl)c1F ZINC000181073211 1124506787 /nfs/dbraw/zinc/50/67/87/1124506787.db2.gz SVPFMYAJYHLYOW-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM O=C(CCC1CC1)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000734705643 1131268292 /nfs/dbraw/zinc/26/82/92/1131268292.db2.gz DKCSLZSICNGXKP-UHFFFAOYSA-N -1 0 335.469 3.729 20 0 EHADRM O=C([N-]c1c2nsnc2ccc1Cl)c1ccc([N+](=O)[O-])s1 ZINC000181262698 1124687071 /nfs/dbraw/zinc/68/70/71/1124687071.db2.gz SOCCQLHWFVUMQU-UHFFFAOYSA-N -1 0 340.773 3.567 20 0 EHADRM O=C(CCc1cccs1)[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000069593361 1124922445 /nfs/dbraw/zinc/92/24/45/1124922445.db2.gz STZHURGKOJHFGC-UHFFFAOYSA-N -1 0 346.433 3.574 20 0 EHADRM CCOC(=O)c1cnc(/C=C\c2ccc3cnccc3c2)c(C(=O)[O-])c1 ZINC000618634087 1125140653 /nfs/dbraw/zinc/14/06/53/1125140653.db2.gz OEGOSTKLXBSGIF-XQRVVYSFSA-N -1 0 348.358 3.675 20 0 EHADRM O=C(NC1CCC2(CC2(F)F)CC1)c1cc(F)c([O-])c(Cl)c1 ZINC000619231101 1125321556 /nfs/dbraw/zinc/32/15/56/1125321556.db2.gz WJYKLEXHKUXHKO-UHFFFAOYSA-N -1 0 333.737 3.883 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000261972464 1125393621 /nfs/dbraw/zinc/39/36/21/1125393621.db2.gz ZDXUXUCUCDLWQF-SCZZXKLOSA-N -1 0 333.281 3.831 20 0 EHADRM O=C(N[N-]C(=O)c1cc2ccccc2o1)Nc1cccc(Cl)c1F ZINC000183005706 1125418414 /nfs/dbraw/zinc/41/84/14/1125418414.db2.gz GLMFIDSDOGCRBA-UHFFFAOYSA-N -1 0 347.733 3.692 20 0 EHADRM Cn1ncc2c1ncnc2Nc1nc(-c2cc3ccccc3o2)cs1 ZINC000163131690 1125426250 /nfs/dbraw/zinc/42/62/50/1125426250.db2.gz LYNHLRWMZZCAHL-UHFFFAOYSA-N -1 0 348.391 3.977 20 0 EHADRM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CC1(C(=O)[O-])CCCC1 ZINC000314519608 1129264216 /nfs/dbraw/zinc/26/42/16/1129264216.db2.gz QPQODYXRDVFZLZ-UHFFFAOYSA-N -1 0 344.238 3.987 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])cc1F)c1cc2ccccc2o1 ZINC000478851875 1129280780 /nfs/dbraw/zinc/28/07/80/1129280780.db2.gz HXAPDCKONCIQSH-JTQLQIEISA-N -1 0 327.311 3.761 20 0 EHADRM C[C@@H](CCCC(C)(C)O)Nc1ccc(Br)cc1C(=O)[O-] ZINC001168710663 1129329046 /nfs/dbraw/zinc/32/90/46/1129329046.db2.gz DLTJHTFPUSKCRS-JTQLQIEISA-N -1 0 344.249 3.889 20 0 EHADRM COC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2[O-])cc1Cl ZINC000735639803 1131367885 /nfs/dbraw/zinc/36/78/85/1131367885.db2.gz UXHLFKPMZKUMKQ-UHFFFAOYSA-N -1 0 340.162 3.738 20 0 EHADRM Oc1ccc2c(c1)[C@@H](NCc1cccc(O)c1Br)CC2 ZINC000657692785 1129461950 /nfs/dbraw/zinc/46/19/50/1129461950.db2.gz DLNQDLQGLOIRFF-AWEZNQCLSA-N -1 0 334.213 3.637 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000347729507 1129647877 /nfs/dbraw/zinc/64/78/77/1129647877.db2.gz GTNWMCPTJYIJKK-ZDUSSCGKSA-N -1 0 329.421 3.574 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)cc1 ZINC000347742278 1129676122 /nfs/dbraw/zinc/67/61/22/1129676122.db2.gz SRHNEQRHCBVLFD-CABCVRRESA-N -1 0 329.783 3.709 20 0 EHADRM Cc1nn(-c2ccc(F)cc2)c(C)c1CN=c1[n-]nc(C(C)C)s1 ZINC000347791496 1129788573 /nfs/dbraw/zinc/78/85/73/1129788573.db2.gz IDYTWOLFVZQDHJ-UHFFFAOYSA-N -1 0 345.447 3.637 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)C[C@]1(C(=O)[O-])CCSC1 ZINC000673697160 1129803526 /nfs/dbraw/zinc/80/35/26/1129803526.db2.gz SCELQTIGHDUTQH-CQSZACIVSA-N -1 0 347.358 3.550 20 0 EHADRM COC1(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCCCC1 ZINC000186844350 1129862330 /nfs/dbraw/zinc/86/23/30/1129862330.db2.gz IHLVKRHNKAXLBF-RQZCQDPDSA-N -1 0 326.780 3.722 20 0 EHADRM O=C([O-])c1ccc(Nc2ccnn2Cc2ccc(F)cc2)c(F)c1F ZINC001212511114 1129876241 /nfs/dbraw/zinc/87/62/41/1129876241.db2.gz SRZLCULAZDMBBT-UHFFFAOYSA-N -1 0 347.296 3.791 20 0 EHADRM CCOC(=O)c1ccc(Nc2ccc(C(=O)[O-])c(F)c2F)c(C)c1 ZINC001212513133 1129924153 /nfs/dbraw/zinc/92/41/53/1129924153.db2.gz AWHWZQHCCKWLKP-UHFFFAOYSA-N -1 0 335.306 3.892 20 0 EHADRM COC(=O)c1cc(C)c(Nc2ccc(C(=O)[O-])c(F)c2F)c(C)c1 ZINC001212514333 1129925497 /nfs/dbraw/zinc/92/54/97/1129925497.db2.gz NQYZVQXUWMVHOH-UHFFFAOYSA-N -1 0 335.306 3.810 20 0 EHADRM Cc1nc(-c2ccc(Nc3ccc(C(=O)[O-])c(F)c3F)cc2)no1 ZINC001212514738 1129927576 /nfs/dbraw/zinc/92/75/76/1129927576.db2.gz JZWQOXFZQYOISB-UHFFFAOYSA-N -1 0 331.278 3.765 20 0 EHADRM COC(=O)c1ccc(Nc2ccc(C(=O)[O-])c(F)c2F)c(Cl)c1 ZINC001212515597 1129929275 /nfs/dbraw/zinc/92/92/75/1129929275.db2.gz FNUXAANLUUMOOT-UHFFFAOYSA-N -1 0 341.697 3.847 20 0 EHADRM COC(=O)[C@H]1CCc2cc(Nc3ccc(C(=O)[O-])c(F)c3F)ccc21 ZINC001212515633 1129929285 /nfs/dbraw/zinc/92/92/85/1129929285.db2.gz HDMGBWFPLRXHAG-LBPRGKRZSA-N -1 0 347.317 3.609 20 0 EHADRM CCc1n[n-]c(=NC(=O)Nc2ccccc2COC(C)(C)CC)s1 ZINC000543535266 1129949677 /nfs/dbraw/zinc/94/96/77/1129949677.db2.gz UBSBGUHQUVXUIO-UHFFFAOYSA-N -1 0 348.472 3.872 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)c1cccc(F)c1Cl ZINC000466629257 1129991089 /nfs/dbraw/zinc/99/10/89/1129991089.db2.gz XSRGGUKYOYVHSN-UHFFFAOYSA-N -1 0 327.746 3.610 20 0 EHADRM C[C@H](CC(=O)N=c1ccc(-c2ccccc2)n[n-]1)c1cccc(F)c1 ZINC000466633540 1129994312 /nfs/dbraw/zinc/99/43/12/1129994312.db2.gz GUKDREJNQZREJW-CQSZACIVSA-N -1 0 335.382 3.837 20 0 EHADRM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1nc(C(C)(C)C)ns1 ZINC000139973280 1130010596 /nfs/dbraw/zinc/01/05/96/1130010596.db2.gz HFABIGWITTYKMR-UHFFFAOYSA-N -1 0 345.877 3.598 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000674234050 1130032400 /nfs/dbraw/zinc/03/24/00/1130032400.db2.gz SSFUFMNHLJTUDR-GJZGRUSLSA-N -1 0 329.396 3.521 20 0 EHADRM CCOc1ccc(NS(=O)(=O)c2cccc(CC)c2)cc1OCC ZINC000674335023 1130067817 /nfs/dbraw/zinc/06/78/17/1130067817.db2.gz DLNXQGBKKLGIBY-UHFFFAOYSA-N -1 0 349.452 3.847 20 0 EHADRM CC(C)Sc1ccc(Cl)cc1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000172368935 1130127773 /nfs/dbraw/zinc/12/77/73/1130127773.db2.gz JNOOCHJWHKAEJW-GFCCVEGCSA-N -1 0 349.905 3.761 20 0 EHADRM Cc1sc2ccc(Cl)cc2c1S(=O)(=O)[N-]c1cnoc1 ZINC000674708527 1130179779 /nfs/dbraw/zinc/17/97/79/1130179779.db2.gz CQHUUPCINQYXQK-UHFFFAOYSA-N -1 0 328.802 3.652 20 0 EHADRM O=C([O-])CCCCC(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000675000435 1130238449 /nfs/dbraw/zinc/23/84/49/1130238449.db2.gz RVUSYOJQVOAQQK-UHFFFAOYSA-N -1 0 330.211 3.744 20 0 EHADRM O=C(c1c([O-])cc(F)cc1F)N(CCc1ccc(F)cc1)C1CC1 ZINC000675622954 1130432411 /nfs/dbraw/zinc/43/24/11/1130432411.db2.gz YDNWDGUNOPLDIT-UHFFFAOYSA-N -1 0 335.325 3.657 20 0 EHADRM Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1cccc(Cl)c1O ZINC000673984721 1130497160 /nfs/dbraw/zinc/49/71/60/1130497160.db2.gz YQHJSTLHEDVBAW-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N(CCC(=O)[O-])CC3CC3)o2)cc1 ZINC000675970766 1130512300 /nfs/dbraw/zinc/51/23/00/1130512300.db2.gz BYTJCCHPZHCNET-UHFFFAOYSA-N -1 0 341.407 3.836 20 0 EHADRM C[C@H]1CCCC[C@H]1OCc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000070694293 1130523868 /nfs/dbraw/zinc/52/38/68/1130523868.db2.gz PTLTWKAMLHKAAU-WCQYABFASA-N -1 0 332.469 3.959 20 0 EHADRM C[C@@H]1CCCC[C@H]1OCc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000070694292 1130524004 /nfs/dbraw/zinc/52/40/04/1130524004.db2.gz PTLTWKAMLHKAAU-DGCLKSJQSA-N -1 0 332.469 3.959 20 0 EHADRM O=C([N-]c1nc(C2CC2)no1)c1cc(-c2cccc(Cl)c2F)no1 ZINC001129195801 1130546305 /nfs/dbraw/zinc/54/63/05/1130546305.db2.gz YBKKSBLSSVRFQU-UHFFFAOYSA-N -1 0 348.721 3.647 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)C2(Sc3ccccc3)CCCC2)C1 ZINC000676218129 1130546923 /nfs/dbraw/zinc/54/69/23/1130546923.db2.gz HRNUOOOILMYKLV-HNNXBMFYSA-N -1 0 347.480 3.805 20 0 EHADRM O=C(Nc1nc(Cc2ccccc2)ns1)c1c([O-])cccc1Cl ZINC000730593695 1130722261 /nfs/dbraw/zinc/72/22/61/1130722261.db2.gz BIEUXNUWPWPONB-UHFFFAOYSA-N -1 0 345.811 3.740 20 0 EHADRM CC(C)COc1ccc(C2(C(=O)[N-]O[C@H]3CCCCO3)CCC2)cc1 ZINC000731624395 1130821183 /nfs/dbraw/zinc/82/11/83/1130821183.db2.gz ZEHJBJLMCRNANK-SFHVURJKSA-N -1 0 347.455 3.718 20 0 EHADRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(SC(C)C)cc1 ZINC000732908169 1130969634 /nfs/dbraw/zinc/96/96/34/1130969634.db2.gz ZDPLEQZDHYPACQ-ZDUSSCGKSA-N -1 0 343.514 3.683 20 0 EHADRM C[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000734079639 1131194138 /nfs/dbraw/zinc/19/41/38/1131194138.db2.gz SULIQYNVXBZJKF-AWEZNQCLSA-N -1 0 349.496 3.587 20 0 EHADRM COc1cc(C(=O)Nc2cccc(Cl)c2[O-])cc2c1O[C@@H](C)C2 ZINC000736682647 1131431253 /nfs/dbraw/zinc/43/12/53/1131431253.db2.gz MSHHBPIPAZWUNZ-VIFPVBQESA-N -1 0 333.771 3.630 20 0 EHADRM CC(C)Cc1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)c2ccccc2)cc1 ZINC000737354808 1131447533 /nfs/dbraw/zinc/44/75/33/1131447533.db2.gz GRLGDZRAXIODIE-HNNXBMFYSA-N -1 0 345.464 3.706 20 0 EHADRM C[C@H](CC(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1)C1CCCCC1 ZINC000737344577 1131447846 /nfs/dbraw/zinc/44/78/46/1131447846.db2.gz JWSIJGKXZXOVEI-CABCVRRESA-N -1 0 337.485 3.800 20 0 EHADRM C[C@H]1COCCN1c1ccc(NC(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000737730706 1131455175 /nfs/dbraw/zinc/45/51/75/1131455175.db2.gz RYAFIXKBUKNSBX-LBPRGKRZSA-N -1 0 346.814 3.523 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)c1oc2c(c1C)C(=O)CCC2)C(=O)[O-] ZINC000737816094 1131456176 /nfs/dbraw/zinc/45/61/76/1131456176.db2.gz GRLAWAQPOADCHG-LJQANCHMSA-N -1 0 349.427 3.651 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000738122755 1131463132 /nfs/dbraw/zinc/46/31/32/1131463132.db2.gz FOEIDBHVTSYEBP-FCCMOTEVSA-N -1 0 337.375 3.835 20 0 EHADRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H](CC(C)C)c1ccccc1 ZINC000741118455 1131578348 /nfs/dbraw/zinc/57/83/48/1131578348.db2.gz IWYQNYLUJDWMDX-RDJZCZTQSA-N -1 0 339.501 3.699 20 0 EHADRM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1cccc2n[nH]cc21 ZINC000742027359 1131684734 /nfs/dbraw/zinc/68/47/34/1131684734.db2.gz CAYKIKWYPCLMSC-UHFFFAOYSA-N -1 0 329.425 3.661 20 0 EHADRM COc1cccc(Nc2ccc3c(O)cc(S(=O)(=O)[O-])cc3c2)c1 ZINC001173828430 1132161377 /nfs/dbraw/zinc/16/13/77/1132161377.db2.gz KBMGZISHTNZFTN-UHFFFAOYSA-N -1 0 345.376 3.544 20 0 EHADRM COc1cccc(OC)c1Nc1c(Cl)c(F)[n-]c(=O)c1Cl ZINC001173921352 1132175477 /nfs/dbraw/zinc/17/54/77/1132175477.db2.gz LVQIASJGKOJCJB-UHFFFAOYSA-N -1 0 333.146 3.994 20 0 EHADRM COC(=O)[N-]S(=O)(=O)c1ccc(Nc2ccccc2C(C)C)cc1 ZINC001174046716 1132224752 /nfs/dbraw/zinc/22/47/52/1132224752.db2.gz AFYUVIABMDFWJL-UHFFFAOYSA-N -1 0 348.424 3.598 20 0 EHADRM COCc1ccccc1Nc1cc(Cl)c(C)cc1S(=O)(=O)[O-] ZINC001174105165 1132229275 /nfs/dbraw/zinc/22/92/75/1132229275.db2.gz JJZDWBXOBUELSY-UHFFFAOYSA-N -1 0 341.816 3.785 20 0 EHADRM O=C(c1cccc(Nc2c([S-])cccc2Cl)c1)N1CCOCC1 ZINC001174181974 1132271789 /nfs/dbraw/zinc/27/17/89/1132271789.db2.gz UJDSAVQVTAYWNJ-UHFFFAOYSA-N -1 0 348.855 3.845 20 0 EHADRM O=S(=O)([O-])c1cccc2cc(Nc3cccc4[nH]ncc43)ccc21 ZINC001174345614 1132325675 /nfs/dbraw/zinc/32/56/75/1132325675.db2.gz JFTJJQFMMSSCKM-UHFFFAOYSA-N -1 0 339.376 3.706 20 0 EHADRM CCC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000745952573 1132336316 /nfs/dbraw/zinc/33/63/16/1132336316.db2.gz VXFDHFNVMBQAQJ-UHFFFAOYSA-N -1 0 345.464 3.985 20 0 EHADRM CC(C)(C)OC(=O)c1ccc(Nc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC001174426091 1132349687 /nfs/dbraw/zinc/34/96/87/1132349687.db2.gz OMOSVOCHGSUNOJ-UHFFFAOYSA-N -1 0 349.408 3.632 20 0 EHADRM CC(C)CCn1cc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])cn1 ZINC001174414558 1132367738 /nfs/dbraw/zinc/36/77/38/1132367738.db2.gz GFHNELTXQWIQQP-UHFFFAOYSA-N -1 0 343.836 3.573 20 0 EHADRM O=S(=O)([O-])c1cccc(Nc2cc(F)ccc2C(F)(F)F)c1 ZINC001174484873 1132369399 /nfs/dbraw/zinc/36/93/99/1132369399.db2.gz UCFNGODTCLBCKY-UHFFFAOYSA-N -1 0 335.278 3.835 20 0 EHADRM COC(Cc1ccccc1Nc1cccc(/C=C/C(=O)[O-])c1)OC ZINC001174496724 1132371785 /nfs/dbraw/zinc/37/17/85/1132371785.db2.gz SSPRAEKGSJJNFX-ZHACJKMWSA-N -1 0 327.380 3.689 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2ccnn2Cc2cccc(F)c2)c1 ZINC001174495448 1132372372 /nfs/dbraw/zinc/37/23/72/1132372372.db2.gz QXVJGRUAQNUDCN-BQYQJAHWSA-N -1 0 337.354 3.912 20 0 EHADRM C[C@@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)c1c(F)cccc1F ZINC000746118117 1132378014 /nfs/dbraw/zinc/37/80/14/1132378014.db2.gz RPAHLMKCLGXMNR-MRVPVSSYSA-N -1 0 334.347 3.886 20 0 EHADRM Nc1ccc(Nc2ccc3ccccc3c2S(=O)(=O)[O-])c(F)c1 ZINC001174483034 1132382988 /nfs/dbraw/zinc/38/29/88/1132382988.db2.gz HFTUWVDSOKMAKK-UHFFFAOYSA-N -1 0 332.356 3.551 20 0 EHADRM C[C@@H](CNC(=O)c1ccc2[n-]c(=S)oc2c1)c1ccc(F)cc1 ZINC000746161136 1132388928 /nfs/dbraw/zinc/38/89/28/1132388928.db2.gz DCZVJVYHKJDSIO-JTQLQIEISA-N -1 0 330.384 3.789 20 0 EHADRM O=S(=O)([O-])c1cccc2cc(Nc3ccc4cn[nH]c4c3)ccc21 ZINC001174501788 1132390282 /nfs/dbraw/zinc/39/02/82/1132390282.db2.gz FZYZRZNCJJEXNO-UHFFFAOYSA-N -1 0 339.376 3.706 20 0 EHADRM COc1ccccc1C(C)(C)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000746216398 1132393963 /nfs/dbraw/zinc/39/39/63/1132393963.db2.gz ZLHDOLDPALGZCQ-UHFFFAOYSA-N -1 0 342.420 3.790 20 0 EHADRM COc1cccc(F)c1[C@@H](C)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000746305841 1132402580 /nfs/dbraw/zinc/40/25/80/1132402580.db2.gz BFXFUEDIYLGEIH-SECBINFHSA-N -1 0 346.383 3.755 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1c(C)nc(Cl)nc1Cl ZINC001174670576 1132432311 /nfs/dbraw/zinc/43/23/11/1132432311.db2.gz LLSDGHJSCOXEES-UHFFFAOYSA-N -1 0 328.155 3.542 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc(C(F)(F)F)nc1C ZINC001174673787 1132433081 /nfs/dbraw/zinc/43/30/81/1132433081.db2.gz OLIOPAUBQWJURR-UHFFFAOYSA-N -1 0 326.274 3.859 20 0 EHADRM COc1cc(Nc2c(C)nc(Cl)nc2Cl)ccc1C(=O)[O-] ZINC001174681055 1132434801 /nfs/dbraw/zinc/43/48/01/1132434801.db2.gz KCPWZWLJFPUXCD-UHFFFAOYSA-N -1 0 328.155 3.542 20 0 EHADRM COc1cc(Nc2cnc(Br)c(C)c2)ccc1C(=O)[O-] ZINC001174681016 1132434953 /nfs/dbraw/zinc/43/49/53/1132434953.db2.gz IHXRSRODEWBNCR-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM COc1cc(Nc2ccnc(Br)c2C)ccc1C(=O)[O-] ZINC001174684262 1132435766 /nfs/dbraw/zinc/43/57/66/1132435766.db2.gz JARBSRHQWUDGNN-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM CCOC(=O)c1cc(C)c(Nc2ccc(C(=O)[O-])c(OC)c2)c(C)c1 ZINC001174686744 1132436784 /nfs/dbraw/zinc/43/67/84/1132436784.db2.gz GXCGHFWWWXVFID-UHFFFAOYSA-N -1 0 343.379 3.931 20 0 EHADRM CCO[C@H](C)n1cc(Nc2c(Cl)c(F)[n-]c(=O)c2Cl)cn1 ZINC001174692705 1132456268 /nfs/dbraw/zinc/45/62/68/1132456268.db2.gz HMFXUGTVAFGPJM-ZCFIWIBFSA-N -1 0 335.166 3.728 20 0 EHADRM CCNC(=O)c1ccc(NC(=O)Nc2ccc(O)c(Cl)c2)c(C)c1 ZINC000192205355 1132468907 /nfs/dbraw/zinc/46/89/07/1132468907.db2.gz PHPSHURASVQNIR-UHFFFAOYSA-N -1 0 347.802 3.748 20 0 EHADRM COC(=O)c1sc2ncccc2c1Nc1ccc(C(=O)[O-])s1 ZINC001174805424 1132477989 /nfs/dbraw/zinc/47/79/89/1132477989.db2.gz CQYJZTSVCDKOJH-UHFFFAOYSA-N -1 0 334.378 3.586 20 0 EHADRM O=C([O-])c1ccc(Nc2nccnc2OCc2ccccc2)s1 ZINC001174806144 1132478340 /nfs/dbraw/zinc/47/83/40/1132478340.db2.gz UQATUJSIKWNYQM-UHFFFAOYSA-N -1 0 327.365 3.559 20 0 EHADRM CCOC(=O)CCc1ccc(Nc2ccc(C(=O)[O-])s2)cc1F ZINC001174812095 1132480238 /nfs/dbraw/zinc/48/02/38/1132480238.db2.gz AVVFGJCNOGGUHD-UHFFFAOYSA-N -1 0 337.372 3.825 20 0 EHADRM COc1ccc(Nc2ccc(C(=O)[O-])s2)cc1Br ZINC001174810783 1132480534 /nfs/dbraw/zinc/48/05/34/1132480534.db2.gz SOKQIXUXASMQEO-UHFFFAOYSA-N -1 0 328.187 3.961 20 0 EHADRM O=S(=O)([O-])c1cc(Cl)ccc1Nc1cccc2ncccc21 ZINC001174908704 1132501424 /nfs/dbraw/zinc/50/14/24/1132501424.db2.gz KXVPDPWFXYNVFV-UHFFFAOYSA-N -1 0 334.784 3.879 20 0 EHADRM Cc1ccc(/C=C\S(=O)(=O)[N-][C@H](C(C)(C)C)C(F)(F)F)cc1 ZINC000746401252 1132511057 /nfs/dbraw/zinc/51/10/57/1132511057.db2.gz RTHDSXLZCPXUID-ASCRHOAZSA-N -1 0 335.391 3.862 20 0 EHADRM O=C([O-])Cc1ccc(Nc2ccc(Br)nc2Cl)cc1 ZINC001174948815 1132515965 /nfs/dbraw/zinc/51/59/65/1132515965.db2.gz FFWCRACLJYMZKY-UHFFFAOYSA-N -1 0 341.592 3.868 20 0 EHADRM O=C([O-])Cc1ccc(Nc2ccnn2-c2ccc(Cl)cc2)cc1 ZINC001174951098 1132516437 /nfs/dbraw/zinc/51/64/37/1132516437.db2.gz ZWTGBOGHLIZWPW-UHFFFAOYSA-N -1 0 327.771 3.896 20 0 EHADRM Cc1c(Br)ccc(N)c1Nc1ccc(CC(=O)[O-])cc1 ZINC001174953864 1132517309 /nfs/dbraw/zinc/51/73/09/1132517309.db2.gz QZPKGZDWLPYXBU-UHFFFAOYSA-N -1 0 335.201 3.710 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000391973537 1132519354 /nfs/dbraw/zinc/51/93/54/1132519354.db2.gz XSFUWZSUOWZWDM-LBPRGKRZSA-N -1 0 333.359 3.597 20 0 EHADRM COc1c(C)cc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)cc1C ZINC001174997842 1132525701 /nfs/dbraw/zinc/52/57/01/1132525701.db2.gz VZECGASYSSWEET-UHFFFAOYSA-N -1 0 341.816 3.956 20 0 EHADRM CCCCCc1ccc([N-]S(=O)(=O)c2cc(N)ccc2OC)cc1 ZINC001175012771 1132529678 /nfs/dbraw/zinc/52/96/78/1132529678.db2.gz CEVHRMRDYPJBIF-UHFFFAOYSA-N -1 0 348.468 3.811 20 0 EHADRM COc1ccc(C(C)=O)c(Nc2cc(C(=O)[O-])ccc2C)c1OC ZINC001174982831 1132535213 /nfs/dbraw/zinc/53/52/13/1132535213.db2.gz WRSKWQISZOEGQG-UHFFFAOYSA-N -1 0 329.352 3.657 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1cnc(F)c(Br)c1 ZINC001174982104 1132535258 /nfs/dbraw/zinc/53/52/58/1132535258.db2.gz VIVMYGGLBRPYTR-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccsc1)c1ccc(-c2ccccc2)cc1 ZINC000766453954 1132545364 /nfs/dbraw/zinc/54/53/64/1132545364.db2.gz RXXAZMVXGIIKCO-UHFFFAOYSA-N -1 0 343.429 3.534 20 0 EHADRM CCOC(=O)c1oc2ncccc2c1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175154426 1132568612 /nfs/dbraw/zinc/56/86/12/1132568612.db2.gz MHUYSSHBLBRHJU-UHFFFAOYSA-N -1 0 344.298 3.585 20 0 EHADRM Nc1cc(Br)cc2c1ccn2-c1ccc(C(=O)[O-])c(F)c1 ZINC001175157784 1132569566 /nfs/dbraw/zinc/56/95/66/1132569566.db2.gz SZGPOGMKUJAMOR-UHFFFAOYSA-N -1 0 349.159 3.813 20 0 EHADRM O=C([O-])c1cc(Nc2ccc(Br)cc2CO)ccc1F ZINC001175220196 1132598630 /nfs/dbraw/zinc/59/86/30/1132598630.db2.gz MSPFLJCUDHABCM-UHFFFAOYSA-N -1 0 340.148 3.522 20 0 EHADRM CC1(C)COC(c2ccc(Nc3ccc(F)c(C(=O)[O-])c3)cc2)=N1 ZINC001175222599 1132599821 /nfs/dbraw/zinc/59/98/21/1132599821.db2.gz XPTGQJIHMISVFO-UHFFFAOYSA-N -1 0 328.343 3.823 20 0 EHADRM CCOC(=O)c1cnc(C)c(Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001175315479 1132636177 /nfs/dbraw/zinc/63/61/77/1132636177.db2.gz FYYYSXNWRRQZSY-UHFFFAOYSA-N -1 0 334.759 3.662 20 0 EHADRM O=S(=O)([O-])c1ccc(Cl)c(Nc2ccc3ncccc3c2)c1 ZINC001175377428 1132653935 /nfs/dbraw/zinc/65/39/35/1132653935.db2.gz GNAFFMNRXCMUAC-UHFFFAOYSA-N -1 0 334.784 3.879 20 0 EHADRM CC(C)=CCCC(C)=CCNc1ccc(-n2[n-]c(C)cc2=O)nn1 ZINC001169135337 1132667011 /nfs/dbraw/zinc/66/70/11/1132667011.db2.gz KYRRCTWVXHTOJP-GXDHUFHOSA-N -1 0 327.432 3.694 20 0 EHADRM Cn1ncc2cccc(Nc3c(Cl)c(F)[n-]c(=O)c3Cl)c21 ZINC001175441199 1132671134 /nfs/dbraw/zinc/67/11/34/1132671134.db2.gz XBJBGKITHZYUFM-UHFFFAOYSA-N -1 0 327.146 3.863 20 0 EHADRM Cc1n[nH]c2cc(Nc3ccc(S(=O)(=O)[O-])cc3Cl)ccc12 ZINC001175663060 1132733602 /nfs/dbraw/zinc/73/36/02/1132733602.db2.gz RCBYJCHQOWDNNE-UHFFFAOYSA-N -1 0 337.788 3.515 20 0 EHADRM Cc1ncc(CO)c(-c2nc(-c3ccc4sccc4c3)no2)c1[O-] ZINC001212589739 1132758477 /nfs/dbraw/zinc/75/84/77/1132758477.db2.gz BIVOKXWCBJCEGU-UHFFFAOYSA-N -1 0 339.376 3.520 20 0 EHADRM Cc1cc(Br)cc2ccc(NCc3cc(=O)[n-]o3)nc12 ZINC001169493009 1132770717 /nfs/dbraw/zinc/77/07/17/1132770717.db2.gz RGDYGGKDXPNCHE-UHFFFAOYSA-N -1 0 334.173 3.611 20 0 EHADRM O=C([O-])c1cncc(Nc2ccc(Cl)cc2C(=O)C(F)(F)F)c1 ZINC001175841714 1132772422 /nfs/dbraw/zinc/77/24/22/1132772422.db2.gz SULSUHIDCOTONM-UHFFFAOYSA-N -1 0 344.676 3.922 20 0 EHADRM Cc1cnn(-c2ccc(Cl)cc2)c1Nc1cncc(C(=O)[O-])c1 ZINC001175841299 1132772486 /nfs/dbraw/zinc/77/24/86/1132772486.db2.gz YMBUPBDYMYANLV-UHFFFAOYSA-N -1 0 328.759 3.671 20 0 EHADRM O=C([O-])c1cncc(Nc2ccc(Oc3ccccc3F)nc2)c1 ZINC001175840328 1132772731 /nfs/dbraw/zinc/77/27/31/1132772731.db2.gz LNKONCVPCOUKSE-UHFFFAOYSA-N -1 0 325.299 3.850 20 0 EHADRM Cc1cc(C)c(Nc2ccc(Cl)c(O)c2)c(S(=O)(=O)[O-])c1 ZINC001212593496 1132809995 /nfs/dbraw/zinc/80/99/95/1132809995.db2.gz UPSLCAGNLXVPGI-UHFFFAOYSA-N -1 0 327.789 3.653 20 0 EHADRM Cc1ccc2ccc(F)c(Nc3ccc(S(=O)(=O)[O-])cc3)c2n1 ZINC001176116481 1132852288 /nfs/dbraw/zinc/85/22/88/1132852288.db2.gz GLXKBVYLFCKKFI-UHFFFAOYSA-N -1 0 332.356 3.673 20 0 EHADRM Cc1cc(S(=O)(=O)[O-])c(Nc2cncc(C3CC3)c2)cc1Cl ZINC001176289338 1132892004 /nfs/dbraw/zinc/89/20/04/1132892004.db2.gz YTVIPNCUELKASP-UHFFFAOYSA-N -1 0 338.816 3.911 20 0 EHADRM Cc1nc(-c2ccccn2)nc(-c2cc(F)c(F)c(C(=O)[O-])c2)c1C ZINC001206025244 1132897845 /nfs/dbraw/zinc/89/78/45/1132897845.db2.gz MVURYNPGDOFMLK-UHFFFAOYSA-N -1 0 341.317 3.799 20 0 EHADRM CN(C)c1ncc(Nc2cc(Cl)c(Cl)c(Cl)c2[O-])cn1 ZINC001176336467 1132902651 /nfs/dbraw/zinc/90/26/51/1132902651.db2.gz FFGFRZHIHWEWJK-UHFFFAOYSA-N -1 0 333.606 3.952 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)c1C ZINC000766893073 1132911432 /nfs/dbraw/zinc/91/14/32/1132911432.db2.gz YIWLZAPVCFNIHK-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM CSc1ccccc1[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000766892871 1132911463 /nfs/dbraw/zinc/91/14/63/1132911463.db2.gz WYGMWXZTRYDMIO-UHFFFAOYSA-N -1 0 349.264 3.911 20 0 EHADRM CCc1ccccc1[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000766895349 1132912414 /nfs/dbraw/zinc/91/24/14/1132912414.db2.gz FWJWRXAOHMSRDY-UHFFFAOYSA-N -1 0 331.224 3.752 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)/C=C\c1cccc(F)c1 ZINC000766942641 1132919848 /nfs/dbraw/zinc/91/98/48/1132919848.db2.gz ZUVVHEVLEGKHOV-TWGQIWQCSA-N -1 0 343.354 3.963 20 0 EHADRM CC(C)CCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000766974191 1132925034 /nfs/dbraw/zinc/92/50/34/1132925034.db2.gz ZJGVNAXDRDJNST-GOSISDBHSA-N -1 0 344.455 3.886 20 0 EHADRM COC(=O)c1sc2cccnc2c1Nc1csc(C(=O)[O-])c1 ZINC001176435504 1132927968 /nfs/dbraw/zinc/92/79/68/1132927968.db2.gz DMUREVKVOAOLON-UHFFFAOYSA-N -1 0 334.378 3.586 20 0 EHADRM CCOc1cc(Nc2csc(C(=O)[O-])c2)cnc1Br ZINC001176436729 1132928950 /nfs/dbraw/zinc/92/89/50/1132928950.db2.gz MXFGWCXJZXXXKM-UHFFFAOYSA-N -1 0 343.202 3.746 20 0 EHADRM O=C([O-])c1cc(Nc2cccn3c(Br)cnc23)cs1 ZINC001176437655 1132929108 /nfs/dbraw/zinc/92/91/08/1132929108.db2.gz ZVUVVLBEJDTERU-UHFFFAOYSA-N -1 0 338.186 3.600 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)C/C=C\c2ccc(F)cc2)cc1 ZINC000767089627 1132947540 /nfs/dbraw/zinc/94/75/40/1132947540.db2.gz AODXYVCFFSGUBL-SXTBZQBMSA-N -1 0 325.339 3.966 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)/C=C\c1ccc(Cl)cc1 ZINC000767125546 1132953439 /nfs/dbraw/zinc/95/34/39/1132953439.db2.gz MKOFMSGOYPKIDW-WTKPLQERSA-N -1 0 345.782 3.764 20 0 EHADRM O=C(/C=C/c1ccccc1)NCc1c(C(=O)[O-])sc2ccsc21 ZINC000767170719 1132957754 /nfs/dbraw/zinc/95/77/54/1132957754.db2.gz RHSOIYYXOMIZSU-VOTSOKGWSA-N -1 0 343.429 3.991 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3ccc(OC(F)(F)F)nc3)cc2)CC1 ZINC001176584479 1132960489 /nfs/dbraw/zinc/96/04/89/1132960489.db2.gz MVKPQISKEPQZSW-UHFFFAOYSA-N -1 0 338.285 3.840 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3ccnc(OC(F)(F)F)c3)cc2)CC1 ZINC001176587173 1132961040 /nfs/dbraw/zinc/96/10/40/1132961040.db2.gz UZSHZYBBZRUEKT-UHFFFAOYSA-N -1 0 338.285 3.840 20 0 EHADRM COc1cccc(C(C)=O)c1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176588159 1132961549 /nfs/dbraw/zinc/96/15/49/1132961549.db2.gz HAOCGCZWUDVFOH-UHFFFAOYSA-N -1 0 325.364 3.758 20 0 EHADRM COc1ccccc1-n1nccc1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176593338 1132963818 /nfs/dbraw/zinc/96/38/18/1132963818.db2.gz ADNLUXKVNOLEDH-DHZHZOJOSA-N -1 0 335.363 3.722 20 0 EHADRM COC(Cc1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)cc1)OC ZINC001176598015 1132976482 /nfs/dbraw/zinc/97/64/82/1132976482.db2.gz SCORWHMYBWLFSR-KPKJPENVSA-N -1 0 327.380 3.689 20 0 EHADRM COC(=O)c1ccc(Nc2c(F)cc(F)c([O-])c2F)c(C(C)=O)c1 ZINC001176671391 1132979792 /nfs/dbraw/zinc/97/97/92/1132979792.db2.gz XVYCYVFQMULPSE-UHFFFAOYSA-N -1 0 339.269 3.542 20 0 EHADRM CCOC(=O)c1ccc2c(cccc2Nc2ccc(C(=O)[O-])cc2)n1 ZINC001176713955 1132995769 /nfs/dbraw/zinc/99/57/69/1132995769.db2.gz ZBFKLHCCRMZVNV-UHFFFAOYSA-N -1 0 336.347 3.853 20 0 EHADRM CCCC(CCC)C(=O)[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC000767559292 1133015020 /nfs/dbraw/zinc/01/50/20/1133015020.db2.gz AMAVILAONAVZKK-UHFFFAOYSA-N -1 0 331.865 3.670 20 0 EHADRM O=C(NC[C@H]1CC2(CCC2)CO1)c1cc(Cl)c2ccccc2c1[O-] ZINC001178070710 1133129869 /nfs/dbraw/zinc/12/98/69/1133129869.db2.gz ZZGPNHZMZOGNNH-GFCCVEGCSA-N -1 0 345.826 3.888 20 0 EHADRM Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1cccc(Cl)c1[O-] ZINC000768571265 1133156768 /nfs/dbraw/zinc/15/67/68/1133156768.db2.gz BBQCPENAONLUGX-SNVBAGLBSA-N -1 0 335.835 3.797 20 0 EHADRM CCc1ncsc1[N-]S(=O)(=O)/C=C\c1cccc(Cl)c1 ZINC000768889032 1133197432 /nfs/dbraw/zinc/19/74/32/1133197432.db2.gz MXLLDOGUHGIIFD-SREVYHEPSA-N -1 0 328.846 3.772 20 0 EHADRM CCCc1nnc([N-]S(=O)(=O)/C=C/c2cccc(Cl)c2)s1 ZINC000768863081 1133199691 /nfs/dbraw/zinc/19/96/91/1133199691.db2.gz QAJOJMBRRAUDJZ-BQYQJAHWSA-N -1 0 343.861 3.557 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)C(F)(F)F ZINC000769098916 1133223221 /nfs/dbraw/zinc/22/32/21/1133223221.db2.gz KBUUSWYTLZRRMG-HQJQHLMTSA-N -1 0 332.347 3.823 20 0 EHADRM Cc1ccc([S@](C)(=O)=NC(=O)c2ncc3ccccc3c2[O-])cc1 ZINC001179389256 1133249896 /nfs/dbraw/zinc/24/98/96/1133249896.db2.gz DNXQTDYGMKNCRC-DEOSSOPVSA-N -1 0 340.404 3.546 20 0 EHADRM CC[C@H](C(=O)Nc1ccc2[n-]c(=S)oc2c1)c1c(C)noc1C ZINC000769300853 1133257063 /nfs/dbraw/zinc/25/70/63/1133257063.db2.gz UASHPCHUKNJRSQ-NSHDSACASA-N -1 0 331.397 3.854 20 0 EHADRM O=C(CCc1ccccc1Br)Nc1ccc(F)c(O)c1 ZINC001179852757 1133291533 /nfs/dbraw/zinc/29/15/33/1133291533.db2.gz FTBZVOGRPBQDAF-UHFFFAOYSA-N -1 0 338.176 3.865 20 0 EHADRM Cc1cnn(-c2ccc(NC(=O)c3c([O-])cccc3Cl)cc2F)c1 ZINC000769880707 1133363287 /nfs/dbraw/zinc/36/32/87/1133363287.db2.gz UWKGMUSAPSDGKO-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc3c(Cl)ccnc23)CCCCC1 ZINC001180436384 1133369731 /nfs/dbraw/zinc/36/97/31/1133369731.db2.gz IEKBKMTXQYJNOX-UHFFFAOYSA-N -1 0 332.787 3.862 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cnc3cc(Cl)ccc3c2)CCCCC1 ZINC001180434913 1133369818 /nfs/dbraw/zinc/36/98/18/1133369818.db2.gz RJTOPUSHDJUTQN-UHFFFAOYSA-N -1 0 332.787 3.862 20 0 EHADRM CCC1(CC)C[C@@H]1C(=O)Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1 ZINC001181887005 1133547234 /nfs/dbraw/zinc/54/72/34/1133547234.db2.gz OVENNYIPVCHNIB-MRXNPFEDSA-N -1 0 347.436 3.851 20 0 EHADRM O=C(Cc1[nH]nc2ccccc21)Nc1ccc2[n-]c(=S)sc2c1 ZINC001182059925 1133569944 /nfs/dbraw/zinc/56/99/44/1133569944.db2.gz FIMNVJCRTFRWJO-UHFFFAOYSA-N -1 0 340.433 3.643 20 0 EHADRM Cc1ccc(CNC(=O)c2c([O-])cc(F)cc2F)c(OCC2CC2)c1 ZINC001182931307 1133752987 /nfs/dbraw/zinc/75/29/87/1133752987.db2.gz MUAHYSOMWXQMRV-UHFFFAOYSA-N -1 0 347.361 3.698 20 0 EHADRM O=C(Cc1ccc([S-])cc1)Nc1nc(F)c(F)c(Cl)c1F ZINC001183186438 1133776943 /nfs/dbraw/zinc/77/69/43/1133776943.db2.gz SNOVEAVYZMIVIC-UHFFFAOYSA-N -1 0 332.734 3.622 20 0 EHADRM O=C(NCc1ccnc(C(F)(F)F)c1)c1cc(F)cc(Cl)c1[O-] ZINC001183486095 1133808244 /nfs/dbraw/zinc/80/82/44/1133808244.db2.gz BFTVNEPCPFANIT-UHFFFAOYSA-N -1 0 348.683 3.529 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)[C@H]1CCC(=O)c2ccccc21 ZINC000786349165 1133834135 /nfs/dbraw/zinc/83/41/35/1133834135.db2.gz FJLCWQASKSFKMX-ZDUSSCGKSA-N -1 0 338.388 3.815 20 0 EHADRM O=C(CCCC1CCCCC1)Nc1nc[n-]c(=O)c1Br ZINC001184223222 1133911403 /nfs/dbraw/zinc/91/14/03/1133911403.db2.gz YWUGSCSQSUPYQY-UHFFFAOYSA-N -1 0 342.237 3.634 20 0 EHADRM CC(C)CC[C@@H](C)NS(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC001184523523 1133948068 /nfs/dbraw/zinc/94/80/68/1133948068.db2.gz FHLMILTXPPBGQH-SNVBAGLBSA-N -1 0 339.379 3.514 20 0 EHADRM CC(C)(C)c1ccnc(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001184568213 1133958942 /nfs/dbraw/zinc/95/89/42/1133958942.db2.gz IHYDVFFWQOCITH-UHFFFAOYSA-N -1 0 336.395 3.523 20 0 EHADRM Cc1ccc2c(cccc2[N-]S(=O)(=O)c2cccnc2Cl)c1 ZINC001184884936 1133996441 /nfs/dbraw/zinc/99/64/41/1133996441.db2.gz RCZOUWYGMVUNCT-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1cc(NS(=O)(=O)c2ccsc2)ccc1OC(F)(F)F ZINC001185390317 1134076810 /nfs/dbraw/zinc/07/68/10/1134076810.db2.gz DMXRRCOTZCHMJE-UHFFFAOYSA-N -1 0 337.344 3.756 20 0 EHADRM Cn1ccc2cc([N-]S(=O)(=O)c3cc4ccccc4s3)cnc21 ZINC001185425095 1134082660 /nfs/dbraw/zinc/08/26/60/1134082660.db2.gz HKEXZKGQZOQNDP-UHFFFAOYSA-N -1 0 343.433 3.589 20 0 EHADRM Cn1c(CNC(=O)C=C([O-])c2ccccc2Cl)cc2ccccc21 ZINC001185435962 1134086381 /nfs/dbraw/zinc/08/63/81/1134086381.db2.gz MVHCGLBCUUCGCD-UHFFFAOYSA-N -1 0 340.810 3.721 20 0 EHADRM Cc1cc(S(=O)(=O)Nc2cccc([C@H](C)O)c2)ccc1Cl ZINC001185484268 1134096395 /nfs/dbraw/zinc/09/63/95/1134096395.db2.gz DMHICICELJHMFX-NSHDSACASA-N -1 0 325.817 3.503 20 0 EHADRM COc1nccc(F)c1C(=O)Nc1cc(Cl)c(C)c(Cl)c1[O-] ZINC001185561628 1134106201 /nfs/dbraw/zinc/10/62/01/1134106201.db2.gz OFMAAOXWJQHAMX-UHFFFAOYSA-N -1 0 345.157 3.802 20 0 EHADRM CCCCCC[C@](C)(NC(=O)Nc1nc(C2CC2)cs1)C(=O)[O-] ZINC000788323113 1134113765 /nfs/dbraw/zinc/11/37/65/1134113765.db2.gz VBMVVKJRAWWDSN-INIZCTEOSA-N -1 0 339.461 3.956 20 0 EHADRM O=C([O-])/C=C/c1cnc(/C=C\c2ncc(C(F)(F)F)s2)s1 ZINC000788353700 1134114902 /nfs/dbraw/zinc/11/49/02/1134114902.db2.gz BEPZVMLNFKRGPS-QJZZYWSGSA-N -1 0 332.328 3.887 20 0 EHADRM CCc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC001185686801 1134119837 /nfs/dbraw/zinc/11/98/37/1134119837.db2.gz DZDCQLPRUJGRAC-UHFFFAOYSA-N -1 0 331.224 3.752 20 0 EHADRM O=C([O-])c1ccc(CCOC(=O)c2ccccc2)cc1C(F)(F)F ZINC001250213708 1134141351 /nfs/dbraw/zinc/14/13/51/1134141351.db2.gz MNFCMWMKEQGPAA-UHFFFAOYSA-N -1 0 338.281 3.803 20 0 EHADRM CCOC(=O)CCN(Cc1ccccc1)C(=O)c1cccc([S-])c1 ZINC001186140710 1134174158 /nfs/dbraw/zinc/17/41/58/1134174158.db2.gz KDMISCCWYJBJCD-UHFFFAOYSA-N -1 0 343.448 3.571 20 0 EHADRM O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1ccc2[n-]c(=S)oc2c1 ZINC000772728720 1134199512 /nfs/dbraw/zinc/19/95/12/1134199512.db2.gz IOIAUOIYKRKBDM-XOKHGSTOSA-N -1 0 336.416 3.575 20 0 EHADRM O=S(=O)(Nc1cc(O)c(F)cc1F)c1csc2ccccc21 ZINC001186494210 1134221409 /nfs/dbraw/zinc/22/14/09/1134221409.db2.gz SVQRYOTXDOKOON-UHFFFAOYSA-N -1 0 341.360 3.686 20 0 EHADRM Cc1c(CO)cccc1[N-]S(=O)(=O)c1csc2ccccc21 ZINC001186495875 1134222290 /nfs/dbraw/zinc/22/22/90/1134222290.db2.gz VHUJOQTYKQPYPI-UHFFFAOYSA-N -1 0 333.434 3.503 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccco2)n(-c2ccccc2)n1 ZINC001186806143 1134255275 /nfs/dbraw/zinc/25/52/75/1134255275.db2.gz RZFGYMYFJKWRDS-UHFFFAOYSA-N -1 0 345.424 3.564 20 0 EHADRM O=C(Nc1cccc2cncc(F)c21)c1cc(F)c(F)c([O-])c1F ZINC001186779873 1134256655 /nfs/dbraw/zinc/25/66/55/1134256655.db2.gz QHLRWASERWAQIT-UHFFFAOYSA-N -1 0 336.244 3.749 20 0 EHADRM CCc1ncc(S(=O)(=O)N[C@H](c2ccccc2C)C(C)C)s1 ZINC001186811776 1134260940 /nfs/dbraw/zinc/26/09/40/1134260940.db2.gz YRMGLMMLMPBXGD-INIZCTEOSA-N -1 0 338.498 3.690 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)c(Cl)c(Cl)c1O)c1ccco1 ZINC001186867829 1134271447 /nfs/dbraw/zinc/27/14/47/1134271447.db2.gz OBIZPPMRWYACJX-UHFFFAOYSA-N -1 0 342.587 3.746 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCCC2(C)C)c1 ZINC000789454751 1134277883 /nfs/dbraw/zinc/27/78/83/1134277883.db2.gz ORVLGVSXAREZJW-INIZCTEOSA-N -1 0 337.485 3.831 20 0 EHADRM O=S(=O)([N-]c1ccc(F)c(F)c1)c1cc2c(s1)CCCC2 ZINC001187173799 1134310414 /nfs/dbraw/zinc/31/04/14/1134310414.db2.gz KVEZPNUFBMIUFH-UHFFFAOYSA-N -1 0 329.393 3.706 20 0 EHADRM Cc1ccc(-n2cccn2)cc1NC(=O)c1c([O-])cccc1Cl ZINC000789886245 1134341186 /nfs/dbraw/zinc/34/11/86/1134341186.db2.gz HEXFXGJGLIFLRJ-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM O=S(=O)([N-]c1ccc(Oc2ccccc2)c(Cl)c1)c1c[nH]cn1 ZINC001187760938 1134380758 /nfs/dbraw/zinc/38/07/58/1134380758.db2.gz ICBQPQTUUPBVRA-UHFFFAOYSA-N -1 0 349.799 3.656 20 0 EHADRM CC(C)CC(C)(C)C[N-]S(=O)(=O)c1onc(C2CC2)c1Cl ZINC001187792399 1134381929 /nfs/dbraw/zinc/38/19/29/1134381929.db2.gz WQRAEUHMYOTRFV-UHFFFAOYSA-N -1 0 334.869 3.556 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)c(Cl)cc1Cl)c1nccs1 ZINC001187894560 1134393570 /nfs/dbraw/zinc/39/35/70/1134393570.db2.gz NAORVLGULKCTPH-UHFFFAOYSA-N -1 0 343.644 3.904 20 0 EHADRM O=S(=O)([N-]c1cccc(COc2ccccc2)c1)c1nccs1 ZINC001187890457 1134399137 /nfs/dbraw/zinc/39/91/37/1134399137.db2.gz HDAJVHDPWRTJQC-UHFFFAOYSA-N -1 0 346.433 3.523 20 0 EHADRM CCCC[C@@H](CC)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000790477359 1134423885 /nfs/dbraw/zinc/42/38/85/1134423885.db2.gz DINOLFYBBFXDFE-IAQYHMDHSA-N -1 0 327.371 3.813 20 0 EHADRM CC(C)CC[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1[O-] ZINC001188096465 1134427299 /nfs/dbraw/zinc/42/72/99/1134427299.db2.gz NLUQPYOMBJGVCH-GFCCVEGCSA-N -1 0 331.865 3.635 20 0 EHADRM O=S(=O)(c1cc([O-])cc(F)c1)N1CCC[C@@H]1CCC1CCCC1 ZINC001188195025 1134439225 /nfs/dbraw/zinc/43/92/25/1134439225.db2.gz OTUNLLHBSIUSMS-OAHLLOKOSA-N -1 0 341.448 3.655 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2nccc3ccncc32)cc1CC ZINC000790638992 1134444815 /nfs/dbraw/zinc/44/48/15/1134444815.db2.gz UEBKUAZINZZEMF-UHFFFAOYSA-N -1 0 341.436 3.555 20 0 EHADRM Nc1ccccc1N(C(=O)c1ncc(C(F)(F)F)[n-]1)c1ccccc1 ZINC001188288449 1134445323 /nfs/dbraw/zinc/44/53/23/1134445323.db2.gz XSWKZHGFBXIDKH-UHFFFAOYSA-N -1 0 346.312 3.989 20 0 EHADRM COc1ccc(OC)c(NC(=O)Nc2ccc([S-])c(OC)c2)c1 ZINC001188351317 1134458546 /nfs/dbraw/zinc/45/85/46/1134458546.db2.gz DNGSNJQACNDTDU-UHFFFAOYSA-N -1 0 334.397 3.645 20 0 EHADRM COc1ccc(NC(=O)Nc2c([O-])cc(F)cc2F)cc1Cl ZINC001188473370 1134470207 /nfs/dbraw/zinc/47/02/07/1134470207.db2.gz YDGAPTLRCNMPTI-UHFFFAOYSA-N -1 0 328.702 3.976 20 0 EHADRM COc1ccc(NC(=O)Nc2cc([O-])c(F)c(F)c2)cc1Cl ZINC001188474414 1134470272 /nfs/dbraw/zinc/47/02/72/1134470272.db2.gz IJVDEUBGZQYVLO-UHFFFAOYSA-N -1 0 328.702 3.976 20 0 EHADRM O=S(=O)([N-]c1cc2ncccc2c(C(F)(F)F)c1)c1ccoc1 ZINC001188614321 1134482114 /nfs/dbraw/zinc/48/21/14/1134482114.db2.gz UCJUBDDJPKTNCE-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM O=C(c1ccc([O-])c(C(F)(F)F)c1)N(C1CCC1)C1CCOCC1 ZINC001188586355 1134484488 /nfs/dbraw/zinc/48/44/88/1134484488.db2.gz KCYNACKXMVMSAQ-UHFFFAOYSA-N -1 0 343.345 3.585 20 0 EHADRM CCC(C)(C)c1ccc(NC(=O)C(=O)[N-]OC2CCCCC2)cc1 ZINC000790959125 1134485796 /nfs/dbraw/zinc/48/57/96/1134485796.db2.gz HDBSLGGSGVCEPS-UHFFFAOYSA-N -1 0 332.444 3.693 20 0 EHADRM O=S(=O)(CCCC1CC1)[N-][C@H](CCc1ccccc1)C(F)(F)F ZINC001188656057 1134488169 /nfs/dbraw/zinc/48/81/69/1134488169.db2.gz NFFOQYUFXOIZFP-OAHLLOKOSA-N -1 0 349.418 3.660 20 0 EHADRM O=C(OCc1cc(-c2ccccc2)no1)c1c(F)cc([O-])cc1F ZINC000746984680 1134512178 /nfs/dbraw/zinc/51/21/78/1134512178.db2.gz GRRAEVYXZVVATJ-UHFFFAOYSA-N -1 0 331.274 3.682 20 0 EHADRM O=C(OCCOc1ccccc1Cl)c1c(F)cc([O-])cc1F ZINC000746987375 1134515973 /nfs/dbraw/zinc/51/59/73/1134515973.db2.gz QLWYMGBHINREDU-UHFFFAOYSA-N -1 0 328.698 3.560 20 0 EHADRM C[C@@]([N-]S(=O)(=O)C1=Cc2ccccc2CC1)(C1CC1)C(F)(F)F ZINC000775210319 1134525486 /nfs/dbraw/zinc/52/54/86/1134525486.db2.gz UAAKPGJGHJCWCC-OAHLLOKOSA-N -1 0 345.386 3.624 20 0 EHADRM COc1ccc(-c2cc(Nc3ccc(C(=O)[O-])cc3F)on2)cc1 ZINC001203283149 1134550584 /nfs/dbraw/zinc/55/05/84/1134550584.db2.gz GVGRPPCIOZQOPM-UHFFFAOYSA-N -1 0 328.299 3.931 20 0 EHADRM CCOCCO[N-]C(=O)[C@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC000775238404 1134575037 /nfs/dbraw/zinc/57/50/37/1134575037.db2.gz IZYROTVYSKDACP-QGZVFWFLSA-N -1 0 349.814 3.544 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1cc(Cl)c(N)c(Cl)c1 ZINC000775256607 1134590530 /nfs/dbraw/zinc/59/05/30/1134590530.db2.gz CFKHJLANWYMKRE-UHFFFAOYSA-N -1 0 349.214 3.824 20 0 EHADRM CC[C@H](C)c1ccc(NC(=O)c2ccccc2S(=O)(=O)[O-])cc1 ZINC001189669074 1134608808 /nfs/dbraw/zinc/60/88/08/1134608808.db2.gz VSTIPPTWDSHPIZ-LBPRGKRZSA-N -1 0 333.409 3.699 20 0 EHADRM O=S(=O)(Cc1cc(F)ccc1F)[N-]c1cc2ccccc2cc1O ZINC001189688709 1134611511 /nfs/dbraw/zinc/61/15/11/1134611511.db2.gz SOVVGXKJSCJKER-UHFFFAOYSA-N -1 0 349.358 3.766 20 0 EHADRM O=S(=O)(Cc1cc(F)ccc1F)Nc1c([S-])cccc1Cl ZINC001189697147 1134615981 /nfs/dbraw/zinc/61/59/81/1134615981.db2.gz KWEGIYLYGGJQPY-UHFFFAOYSA-N -1 0 349.811 3.849 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-]C(=O)C[C@H](C)CC(C)(C)C)c(F)c1 ZINC000792081118 1134652930 /nfs/dbraw/zinc/65/29/30/1134652930.db2.gz ULYWWBQUFDFRNQ-ZDUSSCGKSA-N -1 0 343.464 3.543 20 0 EHADRM Cc1ccc2cccc([N-]S(=O)(=O)c3ncc(F)cc3F)c2c1 ZINC001190182784 1134668592 /nfs/dbraw/zinc/66/85/92/1134668592.db2.gz HVYWTKWBGVVQTL-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM CCOC(=O)c1cc(NC(=O)c2cccc(-c3ccccc3C)c2)[nH]n1 ZINC001190291035 1134680990 /nfs/dbraw/zinc/68/09/90/1134680990.db2.gz UAFFAKMRUDGLCX-UHFFFAOYSA-N -1 0 349.390 3.814 20 0 EHADRM Cc1cc(O)cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC001190325272 1134682637 /nfs/dbraw/zinc/68/26/37/1134682637.db2.gz DCZKOWFZRYMSLW-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)cs1)c1cc(F)cc(F)c1F ZINC001190360180 1134687878 /nfs/dbraw/zinc/68/78/78/1134687878.db2.gz SOWJHLUBZRDMMD-UHFFFAOYSA-N -1 0 327.736 3.620 20 0 EHADRM O=S(=O)([N-]c1ccccc1C(F)F)c1cc(F)cc(F)c1F ZINC001190387938 1134689093 /nfs/dbraw/zinc/68/90/93/1134689093.db2.gz PFIGEARYVGLHMN-UHFFFAOYSA-N -1 0 337.269 3.842 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)c1 ZINC001190387151 1134689564 /nfs/dbraw/zinc/68/95/64/1134689564.db2.gz FLFNNNXGZAKHNF-UHFFFAOYSA-N -1 0 333.356 3.627 20 0 EHADRM O=S(=O)([N-]c1cccc2c1CCCC2)c1cc(F)cc(F)c1F ZINC001190388979 1134689592 /nfs/dbraw/zinc/68/95/92/1134689592.db2.gz FBXPLEXPUCOKFI-UHFFFAOYSA-N -1 0 341.354 3.784 20 0 EHADRM C[C@@H](NS(=O)(=O)c1cc(F)cc(F)c1F)c1ccc(Cl)cc1 ZINC001190402525 1134691478 /nfs/dbraw/zinc/69/14/78/1134691478.db2.gz BKDDOJMBCPGCTE-MRVPVSSYSA-N -1 0 349.761 3.797 20 0 EHADRM C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000792531406 1134693781 /nfs/dbraw/zinc/69/37/81/1134693781.db2.gz BPNKMQPOMQPZHG-VXNVDRBHSA-N -1 0 330.331 3.529 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cnc3ccccn23)cc1 ZINC001190423506 1134698565 /nfs/dbraw/zinc/69/85/65/1134698565.db2.gz ICBKDFNCNSGKNG-UHFFFAOYSA-N -1 0 343.452 3.823 20 0 EHADRM CC(C)(C)c1nc2ccc(Nc3ccc(C(=O)[O-])cc3F)cn2n1 ZINC001203288778 1134843094 /nfs/dbraw/zinc/84/30/94/1134843094.db2.gz ZKEZAPAKIVIRAH-UHFFFAOYSA-N -1 0 328.347 3.608 20 0 EHADRM CCC[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1c(F)cccc1F ZINC001191339518 1134846315 /nfs/dbraw/zinc/84/63/15/1134846315.db2.gz COJXPOBXVIBLTC-QWHCGFSZSA-N -1 0 331.428 3.850 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1scnc1C(C)C ZINC001191791953 1134924820 /nfs/dbraw/zinc/92/48/20/1134924820.db2.gz IWVCCYXKTMTXJY-UHFFFAOYSA-N -1 0 340.470 3.774 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(C)cc1C(C)=O ZINC001191833431 1134932350 /nfs/dbraw/zinc/93/23/50/1134932350.db2.gz CRTCQGUBSXXJRS-UHFFFAOYSA-N -1 0 347.436 3.706 20 0 EHADRM O=S(=O)([N-]c1c(F)cc(Cl)cc1F)C(Cl)(Cl)Cl ZINC001192034500 1134958448 /nfs/dbraw/zinc/95/84/48/1134958448.db2.gz HWBXJLQYYZCFKY-UHFFFAOYSA-N -1 0 344.981 3.688 20 0 EHADRM CCn1nccc1[N-]S(=O)(=O)c1ccc(-c2ccc(C)cc2)cc1 ZINC001192065795 1134963463 /nfs/dbraw/zinc/96/34/63/1134963463.db2.gz UELPCIJPPSKRJB-UHFFFAOYSA-N -1 0 341.436 3.679 20 0 EHADRM O=C([N-]OCc1ccc(C(F)(F)F)cc1)[C@@H]1Cc2ccc(F)cc21 ZINC000793705899 1134984569 /nfs/dbraw/zinc/98/45/69/1134984569.db2.gz HKHMNCTXTKOQGP-OAHLLOKOSA-N -1 0 339.288 3.732 20 0 EHADRM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1ccnc(C2CCC2)c1 ZINC001192321860 1134998431 /nfs/dbraw/zinc/99/84/31/1134998431.db2.gz XOMVZEULWMZWEA-UHFFFAOYSA-N -1 0 337.832 3.507 20 0 EHADRM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1cccc(C(F)F)c1 ZINC001192350685 1135004104 /nfs/dbraw/zinc/00/41/04/1135004104.db2.gz ANOVOKBZDXJAAZ-UHFFFAOYSA-N -1 0 332.759 3.782 20 0 EHADRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)on1 ZINC001192523166 1135026433 /nfs/dbraw/zinc/02/64/33/1135026433.db2.gz HHUXMEFHTHULPM-SECBINFHSA-N -1 0 343.836 3.736 20 0 EHADRM Cc1cccc2ccc([N-]S(=O)(=O)c3cnc(Cl)c(C)c3)nc12 ZINC001192523347 1135026641 /nfs/dbraw/zinc/02/66/41/1135026641.db2.gz OGRIVENCJBYWFR-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM CCOc1ccc(C)cc1[N-]S(=O)(=O)c1cnc(Cl)c(C)c1 ZINC001192568530 1135030468 /nfs/dbraw/zinc/03/04/68/1135030468.db2.gz VZDSRWYPTHZZDM-UHFFFAOYSA-N -1 0 340.832 3.551 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2csc3cnccc23)c1 ZINC001192766218 1135053414 /nfs/dbraw/zinc/05/34/14/1135053414.db2.gz WWZIDCHNQFYGNV-UHFFFAOYSA-N -1 0 348.449 3.668 20 0 EHADRM O=C(c1ccc([O-])c(F)c1F)N1CCc2c3ccccc3oc2C1 ZINC001192833832 1135061433 /nfs/dbraw/zinc/06/14/33/1135061433.db2.gz WDOXPBYNYPOGLV-UHFFFAOYSA-N -1 0 329.302 3.615 20 0 EHADRM Cc1cc(NC(=O)c2cccc(F)c2[O-])nn1-c1ccc(F)cc1F ZINC001129467703 1135066312 /nfs/dbraw/zinc/06/63/12/1135066312.db2.gz ZVPCZBUQJFFACV-UHFFFAOYSA-N -1 0 347.296 3.556 20 0 EHADRM O=C(Nc1cncc(-c2ccccc2)c1)c1cc(F)c([O-])cc1F ZINC001192853837 1135066827 /nfs/dbraw/zinc/06/68/27/1135066827.db2.gz VXBMOPNCOPGSNB-UHFFFAOYSA-N -1 0 326.302 3.985 20 0 EHADRM CC(C)c1cc(F)ccc1[N-]S(=O)(=O)c1cnccc1Cl ZINC001192897131 1135069700 /nfs/dbraw/zinc/06/97/00/1135069700.db2.gz IXDJPLFFQNHTDN-UHFFFAOYSA-N -1 0 328.796 3.798 20 0 EHADRM Cc1cc(Br)cc(C(C)C)c1NC(=O)c1cc(=O)[nH][n-]1 ZINC001193474178 1135140748 /nfs/dbraw/zinc/14/07/48/1135140748.db2.gz XQLNQNKSAFLPBF-UHFFFAOYSA-N -1 0 338.205 3.562 20 0 EHADRM O=C(c1ccc(F)c([O-])c1F)N1CCC[C@H]1c1ccc(F)cc1F ZINC001193785261 1135180468 /nfs/dbraw/zinc/18/04/68/1135180468.db2.gz YFVJEQWDAWYXFZ-AWEZNQCLSA-N -1 0 339.288 3.926 20 0 EHADRM O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(F)c([O-])c1F ZINC001193785219 1135180520 /nfs/dbraw/zinc/18/05/20/1135180520.db2.gz XYYMPZDATBIQSH-UHFFFAOYSA-N -1 0 340.329 3.909 20 0 EHADRM O=C(Nc1cnnc2ccc(Cl)cc21)c1ccc(F)c([O-])c1F ZINC001193767954 1135184924 /nfs/dbraw/zinc/18/49/24/1135184924.db2.gz BRXPAVMHRJUIJE-UHFFFAOYSA-N -1 0 335.697 3.519 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)n2)c2ccccc12 ZINC001193834581 1135190793 /nfs/dbraw/zinc/19/07/93/1135190793.db2.gz ZYWBGQMUQYSLCE-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM COc1nccc(C)c1[N-]S(=O)(=O)c1ccc(C)c2ccccc21 ZINC001193833851 1135190816 /nfs/dbraw/zinc/19/08/16/1135190816.db2.gz PVLBAPWACPEUAX-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM Cc1cnc([N-]S(=O)(=O)c2ccc(C)c3ccccc32)c(C)c1 ZINC001193834410 1135190954 /nfs/dbraw/zinc/19/09/54/1135190954.db2.gz ZYTYVCZXZGRYHI-UHFFFAOYSA-N -1 0 326.421 3.961 20 0 EHADRM CCC(CC)Oc1ccccc1[N-]S(=O)(=O)c1ccccc1N ZINC001193934604 1135201477 /nfs/dbraw/zinc/20/14/77/1135201477.db2.gz JIUGGEZEWQFUJL-UHFFFAOYSA-N -1 0 334.441 3.637 20 0 EHADRM Cc1cnc([N-]S(=O)(=O)c2ccc(-c3cccs3)cc2)nc1C ZINC001194131420 1135230278 /nfs/dbraw/zinc/23/02/78/1135230278.db2.gz XHJLQVHEHCYROL-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM COc1cncc([N-]S(=O)(=O)c2ccc(-c3cccs3)cc2)c1 ZINC001194141601 1135239382 /nfs/dbraw/zinc/23/93/82/1135239382.db2.gz GEURCRYBGWLRBR-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM Cc1cc2ccc(NC(=O)c3c(C)[n-]n(-c4ccccc4)c3=O)cc2[nH]1 ZINC001194276380 1135247641 /nfs/dbraw/zinc/24/76/41/1135247641.db2.gz FGNMFTZVXBWNBJ-UHFFFAOYSA-N -1 0 346.390 3.928 20 0 EHADRM CCCC1CCN(C(=O)c2c(C)[n-]n(-c3ccccc3)c2=O)CC1 ZINC001194269859 1135254080 /nfs/dbraw/zinc/25/40/80/1135254080.db2.gz KWAOHZAIOHIPQQ-UHFFFAOYSA-N -1 0 327.428 3.539 20 0 EHADRM Cc1cc(F)cc(C)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC001194305240 1135254406 /nfs/dbraw/zinc/25/44/06/1135254406.db2.gz YXXBBDHOMWQMQF-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM O=C(Nc1csc(Br)n1)c1ccc(C(F)(F)F)o1 ZINC001194405182 1135264933 /nfs/dbraw/zinc/26/49/33/1135264933.db2.gz MDNHOZKHDDMUMY-UHFFFAOYSA-N -1 0 341.108 3.770 20 0 EHADRM CCn1cc([N-]S(=O)(=O)c2cccc3c(Cl)cccc32)c(C)n1 ZINC001194411472 1135266462 /nfs/dbraw/zinc/26/64/62/1135266462.db2.gz RIKKVSBLFZEAPG-UHFFFAOYSA-N -1 0 349.843 3.819 20 0 EHADRM COc1ccccc1[N-]S(=O)(=O)c1cccc2c(Cl)nccc21 ZINC001194446377 1135275271 /nfs/dbraw/zinc/27/52/71/1135275271.db2.gz ADIXWHSUANCHHX-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2ncccc2C(F)(F)F)cc1 ZINC001194562505 1135286202 /nfs/dbraw/zinc/28/62/02/1135286202.db2.gz RVUKHBQGPJORAA-UHFFFAOYSA-N -1 0 348.371 3.623 20 0 EHADRM Cc1ccc2cccc([N-]S(=O)(=O)c3c(C)cccc3C)c2n1 ZINC001194634306 1135294546 /nfs/dbraw/zinc/29/45/46/1135294546.db2.gz PXVMLYNZNIROLO-UHFFFAOYSA-N -1 0 326.421 3.961 20 0 EHADRM O=S(=O)([N-]c1ccc2ccccc2c1)c1cccc2nccnc21 ZINC001194979108 1135350489 /nfs/dbraw/zinc/35/04/89/1135350489.db2.gz YCAGNNGDAHQJGD-UHFFFAOYSA-N -1 0 335.388 3.584 20 0 EHADRM Cc1nc2sccc2c([N-]S(=O)(=O)c2cccc(C(C)C)c2)n1 ZINC001195117189 1135371295 /nfs/dbraw/zinc/37/12/95/1135371295.db2.gz ZLHNFTLBYUDCRX-UHFFFAOYSA-N -1 0 347.465 3.924 20 0 EHADRM CCC(C)(C)C1CCC2(C[C@H]2C(=O)[N-]S(=O)(=O)C2(C)CC2)CC1 ZINC000806029932 1135375467 /nfs/dbraw/zinc/37/54/67/1135375467.db2.gz URTBFADUPAJLER-FVRSWCFKSA-N -1 0 341.517 3.618 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(Cl)nc1C ZINC001195276535 1135403480 /nfs/dbraw/zinc/40/34/80/1135403480.db2.gz LWIGGOMWLLJCMT-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cnc(C2CC2)s1 ZINC001195277445 1135404715 /nfs/dbraw/zinc/40/47/15/1135404715.db2.gz HUOKZKSEDUUYQR-UHFFFAOYSA-N -1 0 328.846 3.783 20 0 EHADRM CCOc1ccc(F)cc1[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC001195308892 1135410984 /nfs/dbraw/zinc/41/09/84/1135410984.db2.gz WCRCWCFPXLVPHM-UHFFFAOYSA-N -1 0 343.807 3.987 20 0 EHADRM O=C(N[C@@H](c1ccccc1)c1ccccn1)c1cccc(Cl)c1[O-] ZINC000775650035 1135417356 /nfs/dbraw/zinc/41/73/56/1135417356.db2.gz OELYCUKJRCLFKR-KRWDZBQOSA-N -1 0 338.794 3.960 20 0 EHADRM CCn1cnnc1-c1cccc(NC(=O)c2cccc(Cl)c2[O-])c1 ZINC000775656670 1135424097 /nfs/dbraw/zinc/42/40/97/1135424097.db2.gz YJQSDOMQJTVQKG-UHFFFAOYSA-N -1 0 342.786 3.576 20 0 EHADRM O=C(Nc1cccc(N2CCCCC2=O)c1)c1cccc(Cl)c1[O-] ZINC000775655566 1135428051 /nfs/dbraw/zinc/42/80/51/1135428051.db2.gz GRAIEWSAEPIBLR-UHFFFAOYSA-N -1 0 344.798 3.815 20 0 EHADRM CCOC([O-])=NC(=S)N=c1ccc(C(F)(F)F)c2[nH]cccc1-2 ZINC001195493153 1135432796 /nfs/dbraw/zinc/43/27/96/1135432796.db2.gz XLJQXZCQNBTRSA-UHFFFAOYSA-N -1 0 343.330 3.697 20 0 EHADRM CC(=O)Nc1cccc(C(=O)Nc2cc(Cl)c([O-])cc2F)c1C ZINC000805259304 1135432996 /nfs/dbraw/zinc/43/29/96/1135432996.db2.gz HILBAJKAATYETD-UHFFFAOYSA-N -1 0 336.750 3.704 20 0 EHADRM CN(CCCc1nc2ccccc2[nH]1)C(=O)c1cccc(Cl)c1[O-] ZINC000775678489 1135504513 /nfs/dbraw/zinc/50/45/13/1135504513.db2.gz FGVPMUMMYHYXNN-UHFFFAOYSA-N -1 0 343.814 3.627 20 0 EHADRM O=C(NCCc1c[nH]c2cc(F)ccc12)c1cccc(Cl)c1[O-] ZINC000775684681 1135509652 /nfs/dbraw/zinc/50/96/52/1135509652.db2.gz PMPKYFHNDURRNT-UHFFFAOYSA-N -1 0 332.762 3.639 20 0 EHADRM O=C(NCc1cc(-c2ccccc2)on1)c1cccc(Cl)c1[O-] ZINC000775695345 1135531639 /nfs/dbraw/zinc/53/16/39/1135531639.db2.gz USOLECAKHSLTHS-UHFFFAOYSA-N -1 0 328.755 3.631 20 0 EHADRM O=C(Nc1ccc(-c2cccnc2)cc1)c1cc(Cl)ncc1[O-] ZINC001196396121 1135555440 /nfs/dbraw/zinc/55/54/40/1135555440.db2.gz PESJTFAFXUPJTM-UHFFFAOYSA-N -1 0 325.755 3.755 20 0 EHADRM COc1cccc2[nH]cc(CNC(=O)c3cc(Cl)c(F)cc3[O-])c21 ZINC001196477840 1135565512 /nfs/dbraw/zinc/56/55/12/1135565512.db2.gz IHIFMWBSZQWZJX-UHFFFAOYSA-N -1 0 348.761 3.605 20 0 EHADRM O=C(c1cc(Cl)c(F)cc1[O-])N1CCC(c2ccccn2)CC1 ZINC001196461567 1135571023 /nfs/dbraw/zinc/57/10/23/1135571023.db2.gz CQWFYFLJPRYLOK-UHFFFAOYSA-N -1 0 334.778 3.600 20 0 EHADRM CC(Cl)(Cl)C(=O)[N-]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000807800013 1135575259 /nfs/dbraw/zinc/57/52/59/1135575259.db2.gz BHZNRZLEBXPBOZ-UHFFFAOYSA-N -1 0 336.087 3.794 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)CC/C=C/c2ccccc2)c1 ZINC000121459593 1135590760 /nfs/dbraw/zinc/59/07/60/1135590760.db2.gz MNBSEAZQXZXKRH-UXBLZVDNSA-N -1 0 343.448 3.602 20 0 EHADRM Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc(Cl)nc2C)c1O ZINC000808092970 1135617011 /nfs/dbraw/zinc/61/70/11/1135617011.db2.gz CDANSFAXOPVFNS-UHFFFAOYSA-N -1 0 347.223 3.512 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cnc1Cl ZINC000808098197 1135617446 /nfs/dbraw/zinc/61/74/46/1135617446.db2.gz HBFGRFGPSZIFBN-UHFFFAOYSA-N -1 0 332.759 3.782 20 0 EHADRM O=C(NCCc1c[nH]c2ccc(F)cc12)c1cccc(Cl)c1[O-] ZINC000775747998 1135628953 /nfs/dbraw/zinc/62/89/53/1135628953.db2.gz TWHPMWQLWWRJBD-UHFFFAOYSA-N -1 0 332.762 3.639 20 0 EHADRM CCCc1ccc([N-]S(=O)(=O)c2c(C)cccc2C(=O)OC)cc1 ZINC001196991984 1135637740 /nfs/dbraw/zinc/63/77/40/1135637740.db2.gz XOTJBIDFEFHXRK-UHFFFAOYSA-N -1 0 347.436 3.535 20 0 EHADRM CCCc1cccc([N-]S(=O)(=O)c2c(C)cccc2C(=O)OC)c1 ZINC001197040316 1135640773 /nfs/dbraw/zinc/64/07/73/1135640773.db2.gz FWQMDUMJFIOBNV-UHFFFAOYSA-N -1 0 347.436 3.535 20 0 EHADRM O=C([N-]C(Cc1ccccc1F)Cc1ccccc1F)C(F)(F)F ZINC000747476146 1135644865 /nfs/dbraw/zinc/64/48/65/1135644865.db2.gz MFRONJZVJPKXOY-UHFFFAOYSA-N -1 0 343.295 3.797 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2ccc(OC(F)F)cc2)cc1 ZINC001197069690 1135646793 /nfs/dbraw/zinc/64/67/93/1135646793.db2.gz NNMWLQZKLDHDMR-UHFFFAOYSA-N -1 0 338.335 3.795 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2cncc(C(F)(F)F)c2)cc1 ZINC001197075618 1135647548 /nfs/dbraw/zinc/64/75/48/1135647548.db2.gz QCRVGSQIHSYMSB-UHFFFAOYSA-N -1 0 341.314 3.608 20 0 EHADRM C[C@@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)c1cc(F)cc(F)c1 ZINC001197131781 1135648323 /nfs/dbraw/zinc/64/83/23/1135648323.db2.gz RXAVVDSJIURQDB-SECBINFHSA-N -1 0 336.363 3.711 20 0 EHADRM O=C(Nc1cccc(Oc2cccnn2)c1)c1cccc(Cl)c1[O-] ZINC000775757738 1135649471 /nfs/dbraw/zinc/64/94/71/1135649471.db2.gz KEOKRQJARUYZBN-UHFFFAOYSA-N -1 0 341.754 3.880 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N2CCC3(CC[C@H](F)C3)CC2)cc1 ZINC001197102433 1135649650 /nfs/dbraw/zinc/64/96/50/1135649650.db2.gz BEDNBBCYLRQEGO-ZDUSSCGKSA-N -1 0 336.432 3.686 20 0 EHADRM CN(C(=S)Nc1ccc(C(=O)[O-])cc1)[C@H]1CCc2ccccc21 ZINC001197107194 1135650068 /nfs/dbraw/zinc/65/00/68/1135650068.db2.gz JCLIHOBQNCKZJN-INIZCTEOSA-N -1 0 326.421 3.701 20 0 EHADRM O=S(=O)(/C=C/c1ccc(Cl)cc1)[N-][C@@H](C1CC1)C(F)(F)F ZINC000808328294 1135653120 /nfs/dbraw/zinc/65/31/20/1135653120.db2.gz NTLWOPUNBZEOJF-GUOLPTJISA-N -1 0 339.766 3.571 20 0 EHADRM COc1cc(O)ccc1C(=O)Nc1cc(Cl)c(C)c(Cl)c1[O-] ZINC001197172366 1135657116 /nfs/dbraw/zinc/65/71/16/1135657116.db2.gz WAMARBJMVQGGNJ-UHFFFAOYSA-N -1 0 342.178 3.974 20 0 EHADRM C[C@@H]1CN(C(=O)c2cccc(Cl)c2[O-])C[C@H](c2ccsc2)O1 ZINC000775772523 1135686750 /nfs/dbraw/zinc/68/67/50/1135686750.db2.gz FPBRTJNPSYNWSJ-QMTHXVAHSA-N -1 0 337.828 3.709 20 0 EHADRM O=S(=O)(Cc1cc(Cl)ccc1Cl)[N-]c1ncc(F)s1 ZINC001197502031 1135700935 /nfs/dbraw/zinc/70/09/35/1135700935.db2.gz DGKSXAIJBMYMIC-UHFFFAOYSA-N -1 0 341.216 3.531 20 0 EHADRM O=S(=O)(Cc1cc(Cl)ccc1Cl)[N-]C1(C(F)(F)F)CC1 ZINC001197550657 1135704078 /nfs/dbraw/zinc/70/40/78/1135704078.db2.gz PJCHPQVLGBGWBZ-UHFFFAOYSA-N -1 0 348.173 3.508 20 0 EHADRM O=S(=O)(Cc1ccccn1)[N-]c1cc(C2CCCCC2)ccc1O ZINC001197834630 1135740202 /nfs/dbraw/zinc/74/02/02/1135740202.db2.gz HXNWISNQLSWDJN-UHFFFAOYSA-N -1 0 346.452 3.777 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2ccc(C)c(C(F)(F)F)c2)c1 ZINC001197954875 1135757439 /nfs/dbraw/zinc/75/74/39/1135757439.db2.gz DFTLOPNRZMXNSU-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2ccc(-c3ccc(O)cc3)cc2)c1 ZINC001197999087 1135760343 /nfs/dbraw/zinc/76/03/43/1135760343.db2.gz LHOMYARXSDUPSF-UHFFFAOYSA-N -1 0 340.404 3.563 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2C)c1 ZINC001198006638 1135760784 /nfs/dbraw/zinc/76/07/84/1135760784.db2.gz ZDMLAABXHUYQKZ-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2F)c1 ZINC001198004533 1135761180 /nfs/dbraw/zinc/76/11/80/1135761180.db2.gz LHGWCEHYCIKJLQ-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM O=C(N[C@@H](c1ccccc1)[C@@H]1CCOC1)c1cccc(Cl)c1[O-] ZINC000775815865 1135770795 /nfs/dbraw/zinc/77/07/95/1135770795.db2.gz SPXWMOTXCSHUSK-CJNGLKHVSA-N -1 0 331.799 3.553 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000809066021 1135771037 /nfs/dbraw/zinc/77/10/37/1135771037.db2.gz YIEKMZODNHYXRV-KZNAEPCWSA-N -1 0 349.496 3.548 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1)c1cccc(Cl)n1 ZINC001198188684 1135786077 /nfs/dbraw/zinc/78/60/77/1135786077.db2.gz KSVGMCFOPQXHQI-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM O=S(=O)([N-]c1ncccc1-c1ccccc1)c1cccc(Cl)n1 ZINC001198198378 1135787395 /nfs/dbraw/zinc/78/73/95/1135787395.db2.gz USHFUXUMDUAXBZ-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)cs2)cn1 ZINC001198276616 1135793116 /nfs/dbraw/zinc/79/31/16/1135793116.db2.gz RNAPAYJJGCEQOX-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(F)cc3)c2)cn1 ZINC001198314363 1135799442 /nfs/dbraw/zinc/79/94/42/1135799442.db2.gz ZLVJSJUJMPJPSW-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM O=C([O-])c1c(F)cc(Nc2c(F)c(F)nc(F)c2Cl)cc1F ZINC001203315719 1135805722 /nfs/dbraw/zinc/80/57/22/1135805722.db2.gz AAWASOHPJWOXPU-UHFFFAOYSA-N -1 0 338.619 3.872 20 0 EHADRM C[C@H]1CCc2c(C(=O)Nc3ccc4[n-]c(=S)sc4c3)n[nH]c21 ZINC001198453925 1135816773 /nfs/dbraw/zinc/81/67/73/1135816773.db2.gz PHAHVIUUNPOUST-ZETCQYMHSA-N -1 0 330.438 3.610 20 0 EHADRM Cc1nocc1[N-]S(=O)(=O)c1ccccc1Oc1ccccc1 ZINC001198446662 1135820937 /nfs/dbraw/zinc/82/09/37/1135820937.db2.gz AWWYSOGKKKUCRT-UHFFFAOYSA-N -1 0 330.365 3.576 20 0 EHADRM O=S(=O)([N-]c1cnccc1C(F)(F)F)c1ccc2occc2c1 ZINC001198831370 1135857901 /nfs/dbraw/zinc/85/79/01/1135857901.db2.gz VKFCONDXHIQRJR-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)nc(Cl)c1)c1ccc2occc2c1 ZINC001198817980 1135859405 /nfs/dbraw/zinc/85/94/05/1135859405.db2.gz KIZIXEIPXSUMGM-UHFFFAOYSA-N -1 0 343.191 3.935 20 0 EHADRM COC(=O)c1c(C)csc1Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203319679 1135892907 /nfs/dbraw/zinc/89/29/07/1135892907.db2.gz UXCIWTRAHQHYKB-UHFFFAOYSA-N -1 0 327.308 3.563 20 0 EHADRM Cc1n[nH]cc1S(=O)(=O)Oc1cccc(-c2c(C)cccc2C)c1 ZINC000810116999 1135922090 /nfs/dbraw/zinc/92/20/90/1135922090.db2.gz GSTFYOUMTUGHEQ-UHFFFAOYSA-N -1 0 342.420 3.770 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)cn1 ZINC001199987691 1135943448 /nfs/dbraw/zinc/94/34/48/1135943448.db2.gz QEYKRRNGINKMOT-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cccc(Cl)c2F)cccc1N(C)C ZINC000776092009 1135953941 /nfs/dbraw/zinc/95/39/41/1135953941.db2.gz UBMZJPIBFJCXMZ-UHFFFAOYSA-N -1 0 342.823 3.654 20 0 EHADRM O=C([N-]OCc1ccc(F)cc1Br)C1(F)CCCCC1 ZINC000810694196 1135997456 /nfs/dbraw/zinc/99/74/56/1135997456.db2.gz IHGGHJIZYKSHTR-UHFFFAOYSA-N -1 0 348.187 3.808 20 0 EHADRM O=c1cc(NC(=S)Nc2cc(Cl)cc(Cl)c2)nc(Cl)[n-]1 ZINC001200992711 1135974938 /nfs/dbraw/zinc/97/49/38/1135974938.db2.gz LMCAGTCYIZHIHZ-UHFFFAOYSA-N -1 0 349.630 3.951 20 0 EHADRM Cc1noc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)c1C ZINC001201245074 1135998916 /nfs/dbraw/zinc/99/89/16/1135998916.db2.gz ZKPHULXTVUNNIO-UHFFFAOYSA-N -1 0 339.175 3.538 20 0 EHADRM CCCc1cccc([N-]S(=O)(=O)c2sc(Cl)nc2C)c1 ZINC001201764578 1136061324 /nfs/dbraw/zinc/06/13/24/1136061324.db2.gz JPRGHIYVTAGVKV-UHFFFAOYSA-N -1 0 330.862 3.858 20 0 EHADRM CCCc1cc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)on1 ZINC001201792164 1136062654 /nfs/dbraw/zinc/06/26/54/1136062654.db2.gz VLIPZXNIHJMWGV-UHFFFAOYSA-N -1 0 336.457 3.970 20 0 EHADRM O=C(Nc1nnc(-c2ccsc2)s1)c1cccc(Cl)c1[O-] ZINC000776230856 1136080118 /nfs/dbraw/zinc/08/01/18/1136080118.db2.gz CBDMZNZLGWWTFG-UHFFFAOYSA-N -1 0 337.813 3.878 20 0 EHADRM C[C@@H](CN(C)C(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccccc1 ZINC000811818879 1136145546 /nfs/dbraw/zinc/14/55/46/1136145546.db2.gz WLLNVBKXERESCA-LBPRGKRZSA-N -1 0 331.799 3.914 20 0 EHADRM C[C@@H]1c2ccccc2CCN1C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811823798 1136146012 /nfs/dbraw/zinc/14/60/12/1136146012.db2.gz WUTIHZIZOZEIIM-LLVKDONJSA-N -1 0 329.783 3.798 20 0 EHADRM COc1ccccc1CN(OC)C(=O)c1ccc(C(C)C)cc1O ZINC000812367893 1136199726 /nfs/dbraw/zinc/19/97/26/1136199726.db2.gz QBPIKKNQNHASQR-UHFFFAOYSA-N -1 0 329.396 3.728 20 0 EHADRM O=C(COc1ccc(Cl)c2ccccc12)[N-]OC/C=C/Cl ZINC000812402560 1136202264 /nfs/dbraw/zinc/20/22/64/1136202264.db2.gz GIEKCMGJHQWKBE-FPYGCLRLSA-N -1 0 326.179 3.672 20 0 EHADRM Cc1ccc(N(C)C(=O)c2cc(Br)cc(C(=O)[O-])c2)cc1 ZINC000812700994 1136235302 /nfs/dbraw/zinc/23/53/02/1136235302.db2.gz YJURPNWLULGGHL-UHFFFAOYSA-N -1 0 348.196 3.732 20 0 EHADRM CC(C)OCCO[N-]C(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000812804050 1136254219 /nfs/dbraw/zinc/25/42/19/1136254219.db2.gz HJEFXPHGWJIJFZ-UHFFFAOYSA-N -1 0 325.836 3.625 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H]1CCCC2(CC2)C1 ZINC000851043474 1136331752 /nfs/dbraw/zinc/33/17/52/1136331752.db2.gz OLISFKAPTLSNNY-HOTGVXAUSA-N -1 0 335.469 3.554 20 0 EHADRM O=C(C=C1CCC1)O[C@@H]1C[C@H]([N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000851174713 1136346341 /nfs/dbraw/zinc/34/63/41/1136346341.db2.gz AKYHALZPLJAFER-UONOGXRCSA-N -1 0 339.313 3.505 20 0 EHADRM CCOC(=O)c1[n-]c(NC(=O)c2ccccc2C(C)(C)C)nc1Cl ZINC001133884654 1136355017 /nfs/dbraw/zinc/35/50/17/1136355017.db2.gz AJHDQLAFTBVDAG-UHFFFAOYSA-N -1 0 349.818 3.790 20 0 EHADRM C[C@@H](CN(C(=O)c1cccc(Cl)c1[O-])[C@@H](C)CO)c1ccccc1 ZINC000813671385 1136355446 /nfs/dbraw/zinc/35/54/46/1136355446.db2.gz MEAIPNBABNITAR-KBPBESRZSA-N -1 0 347.842 3.672 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H]1CCCC[C@H]1CC ZINC000814015084 1136386678 /nfs/dbraw/zinc/38/66/78/1136386678.db2.gz SGRFLCHOUJGWJF-HYVNUMGLSA-N -1 0 337.485 3.800 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1coc2ccccc12 ZINC000814016873 1136386748 /nfs/dbraw/zinc/38/67/48/1136386748.db2.gz SPZANAUJQOCNCK-KRWDZBQOSA-N -1 0 343.404 3.644 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H](CC)CC1 ZINC000814019334 1136386983 /nfs/dbraw/zinc/38/69/83/1136386983.db2.gz IMCCDPYGSAGSKD-XIRDDKMYSA-N -1 0 337.485 3.800 20 0 EHADRM CCC[C@@](C)(CC)C(=O)[N-]S(=O)(=O)[C@@H](CC)c1ccccc1 ZINC000814019904 1136387031 /nfs/dbraw/zinc/38/70/31/1136387031.db2.gz ORDOZHUEWCQWKL-DOTOQJQBSA-N -1 0 325.474 3.800 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cc(C)cc(C)c1 ZINC000814020800 1136387244 /nfs/dbraw/zinc/38/72/44/1136387244.db2.gz WFFSSUMRRXNIGC-KRWDZBQOSA-N -1 0 331.437 3.514 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H](C)c1ccccc1F ZINC000814023479 1136387686 /nfs/dbraw/zinc/38/76/86/1136387686.db2.gz XWSIQIZZHJLDBX-SUMWQHHRSA-N -1 0 349.427 3.527 20 0 EHADRM Cc1ccccc1[C@H]1CCCN1C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851593665 1136394805 /nfs/dbraw/zinc/39/48/05/1136394805.db2.gz AGQNYVHPJZMBLA-PXUDHTSWSA-N -1 0 325.364 3.663 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(/C=C/C(=O)[O-])o2)cc1C ZINC000851595483 1136395495 /nfs/dbraw/zinc/39/54/95/1136395495.db2.gz PHTXFXXPIALGDW-VMSUTVGLSA-N -1 0 339.391 3.972 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(C2CC2)cc1)c1ccc(F)cc1F ZINC000851600409 1136395802 /nfs/dbraw/zinc/39/58/02/1136395802.db2.gz MAIGPRWWZOGQFB-KRWDZBQOSA-N -1 0 345.345 3.788 20 0 EHADRM CCCCc1ccc(N(C)C(=O)c2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC000851602377 1136395806 /nfs/dbraw/zinc/39/58/06/1136395806.db2.gz SNBVNOGRIDHLCL-ACCUITESSA-N -1 0 327.380 3.997 20 0 EHADRM C[C@@]1(Cc2ccccc2)CCCN1C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851607436 1136396376 /nfs/dbraw/zinc/39/63/76/1136396376.db2.gz MWEUVFMERNSXJW-BQYDLMEBSA-N -1 0 339.391 3.615 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2nc(Cc3ccccc3)cs2)CC1 ZINC000851692686 1136399749 /nfs/dbraw/zinc/39/97/49/1136399749.db2.gz KEFMQKYHZVINSI-UHFFFAOYSA-N -1 0 344.436 3.563 20 0 EHADRM CC[C@@H](NC(=O)CC1(C(=O)[O-])Cc2ccccc2C1)c1ccccc1 ZINC000338950960 1136476104 /nfs/dbraw/zinc/47/61/04/1136476104.db2.gz AXEHKONRQQQAAU-GOSISDBHSA-N -1 0 337.419 3.514 20 0 EHADRM Cc1sc(C(=O)N[C@H](CC(=O)[O-])C2CC2)cc1-c1ccc(F)cc1 ZINC000776632749 1136492794 /nfs/dbraw/zinc/49/27/94/1136492794.db2.gz HASFFMQWYNHCSS-OAHLLOKOSA-N -1 0 347.411 3.846 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000776631619 1136494124 /nfs/dbraw/zinc/49/41/24/1136494124.db2.gz NPIBJWOAKKLXPY-QFSNBGPKSA-N -1 0 331.412 3.851 20 0 EHADRM O=C([N-]C1(c2csc(CC3CC3)n2)CCCCC1)C(F)(F)F ZINC000853003498 1136496733 /nfs/dbraw/zinc/49/67/33/1136496733.db2.gz MNXGMHUWUQLDAK-UHFFFAOYSA-N -1 0 332.391 3.934 20 0 EHADRM CCCCN(C(=O)c1n[n-]c2ccccc2c1=O)[C@@H](C)c1ccccc1 ZINC000111585279 1136562973 /nfs/dbraw/zinc/56/29/73/1136562973.db2.gz KAQXIUHYOHYVES-HNNXBMFYSA-N -1 0 349.434 3.927 20 0 EHADRM CCC(CC)C(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000112158996 1136608564 /nfs/dbraw/zinc/60/85/64/1136608564.db2.gz XXPAQGAPYIAVPL-UHFFFAOYSA-N -1 0 331.437 3.595 20 0 EHADRM O=C(NC[C@H]1CCCC(F)(F)C1)c1ccc2oc(=S)[n-]c2c1 ZINC000854345096 1136609469 /nfs/dbraw/zinc/60/94/69/1136609469.db2.gz SOPDBNURYPUBNW-VIFPVBQESA-N -1 0 326.368 3.672 20 0 EHADRM CC(C)(C)c1ccncc1CNC(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000854934048 1136654750 /nfs/dbraw/zinc/65/47/50/1136654750.db2.gz KDOYTEIPUPNIOC-UHFFFAOYSA-N -1 0 341.436 3.739 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccn(C(C)C)c1C ZINC000816095855 1136672473 /nfs/dbraw/zinc/67/24/73/1136672473.db2.gz MTYDBTVQIUVZEX-QGZVFWFLSA-N -1 0 348.468 3.588 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CC1(C)CCCC1 ZINC000816111226 1136677577 /nfs/dbraw/zinc/67/75/77/1136677577.db2.gz SRPKWIMWELSQHU-KRWDZBQOSA-N -1 0 337.485 3.800 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@@H]1CCC[C@@H]1C ZINC000816111403 1136677743 /nfs/dbraw/zinc/67/77/43/1136677743.db2.gz XPICALNCEUIMJU-QILLFSRXSA-N -1 0 337.485 3.656 20 0 EHADRM Cc1ccc(C(=O)[N-]S(=O)(=O)[C@@H](c2ccccc2)C(C)C)c(C)c1 ZINC000816110661 1136677746 /nfs/dbraw/zinc/67/77/46/1136677746.db2.gz FNQBMGUMWDSYIV-GOSISDBHSA-N -1 0 345.464 3.760 20 0 EHADRM CCC[C@@H](C(=O)[N-]S(=O)(=O)[C@@H](c1ccccc1)C(C)C)C(C)C ZINC000816112310 1136677861 /nfs/dbraw/zinc/67/78/61/1136677861.db2.gz QSWYAGRMMWYHJG-IAGOWNOFSA-N -1 0 339.501 3.902 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)/C=C\c1cccs1 ZINC000816113562 1136678037 /nfs/dbraw/zinc/67/80/37/1136678037.db2.gz WDYVRJXHGSCZKT-QXPKXGMISA-N -1 0 349.477 3.605 20 0 EHADRM O=C(c1n[n-]c2ccccc2c1=O)N1CCCC2(CCCC2)CC1 ZINC000855363605 1136690733 /nfs/dbraw/zinc/69/07/33/1136690733.db2.gz CJQGNIKFMYJRQC-UHFFFAOYSA-N -1 0 325.412 3.522 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000855951667 1136743964 /nfs/dbraw/zinc/74/39/64/1136743964.db2.gz QBEADCVZEAZXMN-HIFRSBDPSA-N -1 0 346.452 3.538 20 0 EHADRM Cc1nc2cc(NC(=O)c3ccc4oc(=S)[n-]c4c3)ccc2o1 ZINC000816834791 1136755748 /nfs/dbraw/zinc/75/57/48/1136755748.db2.gz GCISPDLTMOWDOW-UHFFFAOYSA-N -1 0 325.349 3.818 20 0 EHADRM CCOCc1ccc(CNC(=O)c2ccc3oc(=S)[n-]c3c2)cc1 ZINC000816858782 1136759717 /nfs/dbraw/zinc/75/97/17/1136759717.db2.gz BITATVQUCYWBOF-UHFFFAOYSA-N -1 0 342.420 3.583 20 0 EHADRM Cc1cc(N(C)C)ccc1NC(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000816876886 1136762738 /nfs/dbraw/zinc/76/27/38/1136762738.db2.gz GEPVWLKKVBLHGA-UHFFFAOYSA-N -1 0 327.409 3.743 20 0 EHADRM CC(=O)c1ccc(NC(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])cc1 ZINC001135727963 1136762899 /nfs/dbraw/zinc/76/28/99/1136762899.db2.gz BLGVOTPRYRLGMT-UHFFFAOYSA-N -1 0 349.342 3.920 20 0 EHADRM COc1cc(OC)c(NC(=O)c2ccc3oc(=S)[n-]c3c2)cc1F ZINC000816945593 1136766136 /nfs/dbraw/zinc/76/61/36/1136766136.db2.gz KPQOWSZLVGSXAZ-UHFFFAOYSA-N -1 0 348.355 3.525 20 0 EHADRM CCC(CC)[C@H]1C[C@H](NC(=O)c2ccc3oc(=S)[n-]c3c2)CCO1 ZINC000816964890 1136769997 /nfs/dbraw/zinc/76/99/97/1136769997.db2.gz MYSGSPMINNVJHO-CZUORRHYSA-N -1 0 348.468 3.830 20 0 EHADRM C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)c1cccc(Cl)c1[O-] ZINC000817029966 1136771913 /nfs/dbraw/zinc/77/19/13/1136771913.db2.gz TXQXPELYWIVQLF-LBPRGKRZSA-N -1 0 348.805 3.536 20 0 EHADRM C[C@H](NC(=O)c1cccc(Cl)c1[O-])[C@@H]1OCCc2sccc21 ZINC000817051749 1136772495 /nfs/dbraw/zinc/77/24/95/1136772495.db2.gz PNUBTADWDIXNPP-VFZGTOFNSA-N -1 0 337.828 3.539 20 0 EHADRM O=C(N=c1[n-]nc(-c2cccc(Cl)c2)s1)N1CC[C@@H]2CCC[C@@H]21 ZINC000429532130 1136787475 /nfs/dbraw/zinc/78/74/75/1136787475.db2.gz TXFSXAKEQUIUCR-GWCFXTLKSA-N -1 0 348.859 3.687 20 0 EHADRM O=C([O-])C1(CC(=O)NCC[C@H]2CC2(Cl)Cl)CCCCCC1 ZINC000856718805 1136802322 /nfs/dbraw/zinc/80/23/22/1136802322.db2.gz ONJHRFBDBCIDKB-NSHDSACASA-N -1 0 336.259 3.502 20 0 EHADRM CCC(CC)(CC(=O)Nc1ccc(Br)cc1F)C(=O)[O-] ZINC000011247891 1136813439 /nfs/dbraw/zinc/81/34/39/1136813439.db2.gz NVRPBXDUJFORLP-UHFFFAOYSA-N -1 0 346.196 3.808 20 0 EHADRM CC1(C)C[C@H]1C(=O)N1CCC([C@@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000856928692 1136824753 /nfs/dbraw/zinc/82/47/53/1136824753.db2.gz BUVSHZZJJXPREC-IRXDYDNUSA-N -1 0 329.440 3.530 20 0 EHADRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)Nc3cc(F)cc(F)c3)n2)c1 ZINC001136064642 1136846979 /nfs/dbraw/zinc/84/69/79/1136846979.db2.gz TVDXBIQYIMYJLS-UHFFFAOYSA-N -1 0 347.296 3.556 20 0 EHADRM CCCO[N-]C(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000857547248 1136882118 /nfs/dbraw/zinc/88/21/18/1136882118.db2.gz WDULSKXGJMBINX-UHFFFAOYSA-N -1 0 345.239 3.561 20 0 EHADRM CC(C)(c1ccccc1)c1ccc(OS(=O)(=O)c2ncc[n-]2)cc1 ZINC000820758075 1137003617 /nfs/dbraw/zinc/00/36/17/1137003617.db2.gz RODRCFLXHQHMQG-UHFFFAOYSA-N -1 0 342.420 3.503 20 0 EHADRM O=S(=O)([N-]c1cccc(C(F)(F)F)n1)c1ccccc1Cl ZINC000116601055 1137007832 /nfs/dbraw/zinc/00/78/32/1137007832.db2.gz GAHLWQQLHZEJNY-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])C[C@H]1C ZINC000821454791 1137028157 /nfs/dbraw/zinc/02/81/57/1137028157.db2.gz XXJBMUXGPUGEIH-CHWSQXEVSA-N -1 0 327.380 3.583 20 0 EHADRM Cc1oc2ccccc2c1CN[C@@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC000859816456 1137031996 /nfs/dbraw/zinc/03/19/96/1137031996.db2.gz FBSPFHKGFOUXDQ-LJQANCHMSA-N -1 0 337.375 3.592 20 0 EHADRM C[C@@H](COc1ccccc1)NC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC001136509597 1137043260 /nfs/dbraw/zinc/04/32/60/1137043260.db2.gz UJXLYOHVFUXOAU-NSHDSACASA-N -1 0 339.313 3.608 20 0 EHADRM Cc1n[nH]c(C(=O)N[C@H](C)c2ccccc2Oc2ccccc2)c1[O-] ZINC001136524201 1137045996 /nfs/dbraw/zinc/04/59/96/1137045996.db2.gz VZFVJYBIDQFRQO-GFCCVEGCSA-N -1 0 337.379 3.707 20 0 EHADRM CCO[C@@H](C(=O)Nc1cc(Cl)cc(Br)c1[O-])C1CC1 ZINC000860446586 1137060686 /nfs/dbraw/zinc/06/06/86/1137060686.db2.gz LEOGNTHZRUKNHC-GFCCVEGCSA-N -1 0 348.624 3.562 20 0 EHADRM CCCC[C@H](CC)CC(=O)[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000117534057 1137063256 /nfs/dbraw/zinc/06/32/56/1137063256.db2.gz LDZJFNWXWKLCDK-AWEZNQCLSA-N -1 0 348.468 3.646 20 0 EHADRM CCn1ccc(C(=O)Nc2c(C)c(Br)ccc2O)c1C ZINC000823250129 1137093469 /nfs/dbraw/zinc/09/34/69/1137093469.db2.gz UNUQDGKUBFYAPX-UHFFFAOYSA-N -1 0 337.217 3.845 20 0 EHADRM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CCC[C@H]1[C@@H]1CCCOC1 ZINC000823417124 1137096796 /nfs/dbraw/zinc/09/67/96/1137096796.db2.gz HOLYUQCNOMOYND-YGRLFVJLSA-N -1 0 344.238 3.730 20 0 EHADRM O=C(O[C@@H]1CCC=CCCC1)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC000861229006 1137097749 /nfs/dbraw/zinc/09/77/49/1137097749.db2.gz CCZRUAOFFHLIGB-LLVKDONJSA-N -1 0 345.317 3.504 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)c1cc(=O)n(C)[n-]1)[C@@H]1CCC[C@H](C)C1 ZINC001136732388 1137104007 /nfs/dbraw/zinc/10/40/07/1137104007.db2.gz WPJHICJERORKBR-ZBQZNYHESA-N -1 0 341.455 3.732 20 0 EHADRM CC(C)c1ccc2c(c1)CCCN2C(=O)c1n[n-]c2ccccc2c1=O ZINC000118315908 1137109662 /nfs/dbraw/zinc/10/96/62/1137109662.db2.gz ZTRQFQDIOPLWQB-UHFFFAOYSA-N -1 0 347.418 3.640 20 0 EHADRM CC(C)c1cc(NC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)n[nH]1 ZINC000824459157 1137140185 /nfs/dbraw/zinc/14/01/85/1137140185.db2.gz KNJXOGWBUVQGIW-SNVBAGLBSA-N -1 0 331.376 3.506 20 0 EHADRM Cc1nc(CNc2cc(C)cc(C[N-]C(=O)C(F)(F)F)c2)cs1 ZINC000825011425 1137160321 /nfs/dbraw/zinc/16/03/21/1137160321.db2.gz JTQYMEVVBRAIFR-UHFFFAOYSA-N -1 0 343.374 3.551 20 0 EHADRM CCn1c(=O)c2ccc(C(=O)OC3CCCCCC3)cc2[n-]c1=S ZINC000825302819 1137172038 /nfs/dbraw/zinc/17/20/38/1137172038.db2.gz FUWHPKLVGDKTGI-UHFFFAOYSA-N -1 0 346.452 3.585 20 0 EHADRM CCOc1ccc(OCC)c(NC(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000864101416 1137214993 /nfs/dbraw/zinc/21/49/93/1137214993.db2.gz ZBPDYBFBKYMHCZ-UHFFFAOYSA-N -1 0 343.379 3.743 20 0 EHADRM O=C([O-])c1coc(/C=C\C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000864109451 1137215429 /nfs/dbraw/zinc/21/54/29/1137215429.db2.gz SXQAFVKJGGBITA-CNZFZVQHSA-N -1 0 343.354 3.788 20 0 EHADRM Cc1ccccc1C1(C(=O)N2CCC(C)(C(=O)[O-])CC2)CCCC1 ZINC000864130985 1137216387 /nfs/dbraw/zinc/21/63/87/1137216387.db2.gz PRGCSCUVKQYNSR-UHFFFAOYSA-N -1 0 329.440 3.520 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)c1 ZINC000864134697 1137216603 /nfs/dbraw/zinc/21/66/03/1137216603.db2.gz AYRZXZGWWFMZTA-QZTJIDSGSA-N -1 0 341.382 3.975 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)c1csc(C(F)(F)F)c1 ZINC000864131843 1137216616 /nfs/dbraw/zinc/21/66/16/1137216616.db2.gz DADAFBKITDJJPK-UHFFFAOYSA-N -1 0 337.363 3.922 20 0 EHADRM CCOc1ccccc1[C@H](CC)NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000864142113 1137216847 /nfs/dbraw/zinc/21/68/47/1137216847.db2.gz CLLVSRQYEVENMH-WQTVUKCASA-N -1 0 343.379 3.657 20 0 EHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)CCc1cccc2ccccc21 ZINC000864140904 1137216852 /nfs/dbraw/zinc/21/68/52/1137216852.db2.gz DUNNGCGAKZEVMH-HXUWFJFHSA-N -1 0 327.424 3.778 20 0 EHADRM Cc1ccc(CO[C@@H](C)C(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC000864136504 1137216995 /nfs/dbraw/zinc/21/69/95/1137216995.db2.gz ZTIKJUCOFLBULR-HNNXBMFYSA-N -1 0 341.407 3.556 20 0 EHADRM CCC[C@@H](OCC)C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC000864149051 1137217080 /nfs/dbraw/zinc/21/70/80/1137217080.db2.gz HLUBPXQJZFHHLV-QGZVFWFLSA-N -1 0 348.443 3.519 20 0 EHADRM COc1cc(C)c(NC(=O)c2ccc(C)c(C(=O)[O-])c2)c(C)c1C ZINC000864143339 1137217141 /nfs/dbraw/zinc/21/71/41/1137217141.db2.gz IMQSHSLULLOTIR-UHFFFAOYSA-N -1 0 327.380 3.879 20 0 EHADRM Cc1cccc(C)c1[C@H]1CCCN1C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000864152937 1137217350 /nfs/dbraw/zinc/21/73/50/1137217350.db2.gz SXJLCRIIHBJAAV-KBOKABMXSA-N -1 0 339.391 3.972 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)/C=C\c1csc(C(F)(F)F)c1 ZINC000864155260 1137217408 /nfs/dbraw/zinc/21/74/08/1137217408.db2.gz KAQAVMZSGCWJPJ-QNTBOZKRSA-N -1 0 347.358 3.540 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)/C=C/c1csc(C(F)(F)F)c1 ZINC000864159955 1137217604 /nfs/dbraw/zinc/21/76/04/1137217604.db2.gz PCUIQGDFZJAJKU-PVTPVBHGSA-N -1 0 347.358 3.540 20 0 EHADRM O=C([O-])c1cnc(C2CCN(C(=O)/C=C\C3CCCCC3)CC2)s1 ZINC000864169881 1137217612 /nfs/dbraw/zinc/21/76/12/1137217612.db2.gz UQHHAZBDJDJUPW-SREVYHEPSA-N -1 0 348.468 3.684 20 0 EHADRM CCOC1CC2(C[C@H]2C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)C1 ZINC000864176211 1137217969 /nfs/dbraw/zinc/21/79/69/1137217969.db2.gz QIGMWMWIPNKVSB-DBCMNUGHSA-N -1 0 339.391 3.682 20 0 EHADRM O=C([O-])C1(C(=O)N2CCC[C@](F)(c3ccccc3)C2)CC2(CCC2)C1 ZINC000864201639 1137218808 /nfs/dbraw/zinc/21/88/08/1137218808.db2.gz DBDYLUCCKYUSHB-HXUWFJFHSA-N -1 0 345.414 3.509 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)N[C@@](C)(CC(=O)[O-])C1CC1 ZINC000864198567 1137218975 /nfs/dbraw/zinc/21/89/75/1137218975.db2.gz JHTGWYSJFNTIBF-HWPZZCPQSA-N -1 0 341.860 3.580 20 0 EHADRM CC(C)(C)c1ncsc1C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000864226366 1137219319 /nfs/dbraw/zinc/21/93/19/1137219319.db2.gz CDKZGCJCVLKBFB-NSHDSACASA-N -1 0 344.436 3.659 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)[C@H](C)c2cccc(F)c2)c1 ZINC000864229950 1137219459 /nfs/dbraw/zinc/21/94/59/1137219459.db2.gz PAFJJJWTHNBJGG-DYVFJYSZSA-N -1 0 329.371 3.570 20 0 EHADRM COc1cc(C)cc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(C)c2)c1C ZINC000864231884 1137219553 /nfs/dbraw/zinc/21/95/53/1137219553.db2.gz JXDUGPBREMJVKN-KRWDZBQOSA-N -1 0 341.407 3.566 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])NCc2nc(C(C)(C)C)cs2)c1 ZINC000864506155 1137230630 /nfs/dbraw/zinc/23/06/30/1137230630.db2.gz HQMLEHFGUJNKQC-CQSZACIVSA-N -1 0 348.468 3.755 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)Nc1ccc(F)c(C(F)F)c1)C1CCC1 ZINC000864584976 1137235741 /nfs/dbraw/zinc/23/57/41/1137235741.db2.gz MZHKEUZKAAXQCD-MRVPVSSYSA-N -1 0 330.306 3.623 20 0 EHADRM CCCNC(=S)[N-]c1ccc(Cl)cc1SCCC(=O)OC ZINC000865243601 1137270870 /nfs/dbraw/zinc/27/08/70/1137270870.db2.gz QEBZSUUOHOIRQQ-UHFFFAOYSA-N -1 0 346.905 3.692 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCC(F)(c2ccccn2)CC1 ZINC000846098544 1137335033 /nfs/dbraw/zinc/33/50/33/1137335033.db2.gz JMEVRHSHBICGAX-UHFFFAOYSA-N -1 0 334.778 3.542 20 0 EHADRM O=C(NCCC[C@@H]1CC1(Cl)Cl)c1cc(F)c([O-])c(Cl)c1 ZINC000846588082 1137357748 /nfs/dbraw/zinc/35/77/48/1137357748.db2.gz OZMMLDHFHQIIOZ-MRVPVSSYSA-N -1 0 340.609 3.889 20 0 EHADRM Cc1ncc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(Cl)c2)s1 ZINC000339075311 1137372750 /nfs/dbraw/zinc/37/27/50/1137372750.db2.gz XCEJIMQBFVTSPN-UHFFFAOYSA-N -1 0 346.861 3.693 20 0 EHADRM CCOC(=O)/C(=C/c1cc(C(=O)[O-])c(C)cc1C)c1ncccc1C ZINC000794951165 1137376599 /nfs/dbraw/zinc/37/65/99/1137376599.db2.gz XIOMRZUIFPXKPC-GZTJUZNOSA-N -1 0 339.391 3.809 20 0 EHADRM Cc1cc(C=O)c([O-])c(C(=O)Nc2ccnc(-c3ccccc3)c2)c1 ZINC001146400704 1137389920 /nfs/dbraw/zinc/38/99/20/1137389920.db2.gz XOAJMHKNTVESPE-UHFFFAOYSA-N -1 0 332.359 3.827 20 0 EHADRM COc1cc(C)c(C)cc1NC(=O)c1ccc2oc(=S)[n-]c2c1 ZINC001147064854 1137399339 /nfs/dbraw/zinc/39/93/39/1137399339.db2.gz LVNPJMYEDVASAG-UHFFFAOYSA-N -1 0 328.393 3.994 20 0 EHADRM COCc1csc(CNC(=O)c2cc(Cl)cc(Cl)c2[O-])c1 ZINC001147571398 1137409497 /nfs/dbraw/zinc/40/94/97/1137409497.db2.gz GHTWJFYBVQXNPL-UHFFFAOYSA-N -1 0 346.235 3.837 20 0 EHADRM CCOCCCCCC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000868437727 1137410083 /nfs/dbraw/zinc/41/00/83/1137410083.db2.gz UFCNJWVQEKUBKP-UHFFFAOYSA-N -1 0 347.455 3.688 20 0 EHADRM Cc1nc2ccccn2c1NC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001148805246 1137435286 /nfs/dbraw/zinc/43/52/86/1137435286.db2.gz HZNFELQXAFDIFF-UHFFFAOYSA-N -1 0 336.178 3.907 20 0 EHADRM Cc1nc(Cl)cc(NC(=O)c2cc(Cl)cc(Cl)c2[O-])n1 ZINC001148805224 1137435328 /nfs/dbraw/zinc/43/53/28/1137435328.db2.gz HGOCCQHEJCAEQR-UHFFFAOYSA-N -1 0 332.574 3.703 20 0 EHADRM O=C(COc1c(Cl)cccc1Cl)[N-]OCCCC(F)(F)F ZINC000871209938 1137527278 /nfs/dbraw/zinc/52/72/78/1137527278.db2.gz MORYIZKWIYQMRI-UHFFFAOYSA-N -1 0 346.132 3.763 20 0 EHADRM O=C(c1s[n-]c(=O)c1Cl)N1CCC[C@@](F)(c2ccccc2)C1 ZINC000871371142 1137539896 /nfs/dbraw/zinc/53/98/96/1137539896.db2.gz UMDFATZFWYDQBD-HNNXBMFYSA-N -1 0 340.807 3.603 20 0 EHADRM Cc1cccc(Cc2cc(=O)n([C@@H]3CCOC4(CCCC4)C3)[n-]2)c1 ZINC000871963377 1137563878 /nfs/dbraw/zinc/56/38/78/1137563878.db2.gz HMPARZIFHNZMIQ-GOSISDBHSA-N -1 0 326.440 3.618 20 0 EHADRM Cc1cc(-c2cc(=O)n([C@@H]3CCOC4(CCCC4)C3)[n-]2)ccc1F ZINC000871963942 1137563900 /nfs/dbraw/zinc/56/39/00/1137563900.db2.gz MVLHINIOERPZCD-OAHLLOKOSA-N -1 0 330.403 3.562 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cccc3cccnc32)noc1C(C)(C)C ZINC000872007332 1137564408 /nfs/dbraw/zinc/56/44/08/1137564408.db2.gz OYGVAFDZUJVTTK-UHFFFAOYSA-N -1 0 345.424 3.630 20 0 EHADRM O=S(=O)(CCCCF)[N-]c1nc2c(s1)c(Cl)ccc2F ZINC000872005956 1137564439 /nfs/dbraw/zinc/56/44/39/1137564439.db2.gz FTPXEFCYZKGHGT-UHFFFAOYSA-N -1 0 340.804 3.580 20 0 EHADRM C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1C(=O)c1c([O-])cccc1F ZINC000124015447 1137576982 /nfs/dbraw/zinc/57/69/82/1137576982.db2.gz QSFFETCUTGRVQV-VBHSOAQHSA-N -1 0 329.371 3.522 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)c1sccc1C(F)F ZINC000872694327 1137582818 /nfs/dbraw/zinc/58/28/18/1137582818.db2.gz KBRBLWIAKJDTKA-UHFFFAOYSA-N -1 0 339.363 3.803 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1sccc1C(F)F ZINC000872695637 1137582924 /nfs/dbraw/zinc/58/29/24/1137582924.db2.gz IKWWESZLHHHBAC-LSJOCFKGSA-N -1 0 329.368 3.544 20 0 EHADRM Cc1ccc([C@H](CNC(=O)c2sccc2C(F)F)C(=O)[O-])cc1 ZINC000872715313 1137583182 /nfs/dbraw/zinc/58/31/82/1137583182.db2.gz ZXPJPKZAPSGAGF-LBPRGKRZSA-N -1 0 339.363 3.592 20 0 EHADRM C[C@H](NC(=O)c1cccc(OC(C)(C)C)c1)c1ncc(C(=O)[O-])s1 ZINC000872736326 1137583453 /nfs/dbraw/zinc/58/34/53/1137583453.db2.gz OTCWCTVXYIUUKC-JTQLQIEISA-N -1 0 348.424 3.510 20 0 EHADRM Cc1oc(-c2ccccc2)c(C(=O)N[C@H](CC2CC2)C(=O)[O-])c1C ZINC000872745235 1137583644 /nfs/dbraw/zinc/58/36/44/1137583644.db2.gz HNNOXNWBQBGDRS-OAHLLOKOSA-N -1 0 327.380 3.547 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)[C@@H]1C[C@@H]1c1cccc3ccccc31)CC2 ZINC000872767148 1137584088 /nfs/dbraw/zinc/58/40/88/1137584088.db2.gz MSOPEWNSSHWFEI-YXTQBTIXSA-N -1 0 349.430 3.799 20 0 EHADRM CC(C)(C)OCc1cccc(CNC(=O)C2=C(C(=O)[O-])CCCC2)c1 ZINC000872841706 1137585344 /nfs/dbraw/zinc/58/53/44/1137585344.db2.gz CDXMQTPPNLVFBC-UHFFFAOYSA-N -1 0 345.439 3.573 20 0 EHADRM COc1cc2nc(C)sc2cc1NC(=O)C1=C(C(=O)[O-])CCCC1 ZINC000872842544 1137585371 /nfs/dbraw/zinc/58/53/71/1137585371.db2.gz WRCFUDOJKSCXSF-UHFFFAOYSA-N -1 0 346.408 3.507 20 0 EHADRM CC(C)[C@@H](NC(=O)C(C)(C)SCC(=O)[O-])c1ccccc1Cl ZINC000872845937 1137585416 /nfs/dbraw/zinc/58/54/16/1137585416.db2.gz QDBCGDIZAAKFKJ-CQSZACIVSA-N -1 0 343.876 3.750 20 0 EHADRM CCC(CC)(CNC(=O)[C@](C)(CC(=O)[O-])c1ccsc1)SC ZINC000872850797 1137585601 /nfs/dbraw/zinc/58/56/01/1137585601.db2.gz WYPWRCUPGCOKQV-OAHLLOKOSA-N -1 0 343.514 3.519 20 0 EHADRM COc1cccc(C)c1NC(=O)[C@](C)(CC(=O)[O-])c1ccc(F)cc1 ZINC000872861454 1137585666 /nfs/dbraw/zinc/58/56/66/1137585666.db2.gz PIQLELMMCJSCFU-LJQANCHMSA-N -1 0 345.370 3.514 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)C(C)(C)SCC(=O)[O-] ZINC000872877809 1137585987 /nfs/dbraw/zinc/58/59/87/1137585987.db2.gz LXBRATFWNJAJKZ-UHFFFAOYSA-N -1 0 333.862 3.597 20 0 EHADRM CN(Cc1ccccc1C(F)(F)F)C(=O)C1=C(C(=O)[O-])CCCC1 ZINC000872892872 1137586166 /nfs/dbraw/zinc/58/61/66/1137586166.db2.gz VVAMMXZNUPVZHQ-UHFFFAOYSA-N -1 0 341.329 3.619 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)N1CCCC[C@H]1CCc1ccccc1 ZINC000872958721 1137586996 /nfs/dbraw/zinc/58/69/96/1137586996.db2.gz CXZLUGLPIQXRAY-INIZCTEOSA-N -1 0 349.496 3.597 20 0 EHADRM Cc1ccc(C)c(C(=O)NCc2ccc(C(C)(C)C)o2)c1C(=O)[O-] ZINC000872996965 1137587682 /nfs/dbraw/zinc/58/76/82/1137587682.db2.gz AHAWWKFRRCSYEJ-UHFFFAOYSA-N -1 0 329.396 3.822 20 0 EHADRM COc1ccccc1-c1cc(C(=O)[N-]c2nc(C(C)C)ns2)no1 ZINC000874697260 1137621447 /nfs/dbraw/zinc/62/14/47/1137621447.db2.gz IRDUVEZEJNRTHM-UHFFFAOYSA-N -1 0 344.396 3.577 20 0 EHADRM O=Cc1cc(C(=O)[O-])cc(-c2cc(F)ccc2OCC(F)(F)F)c1 ZINC000874969205 1137627213 /nfs/dbraw/zinc/62/72/13/1137627213.db2.gz JWDRVXPQQCILNR-UHFFFAOYSA-N -1 0 342.244 3.945 20 0 EHADRM Cc1nn(-c2ccc(C(=O)[O-])cc2)c(C)c1-c1ccc(C=O)s1 ZINC000874971843 1137627337 /nfs/dbraw/zinc/62/73/37/1137627337.db2.gz ZVCNPOCFMNLHDF-UHFFFAOYSA-N -1 0 326.377 3.728 20 0 EHADRM C[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC001137095645 1137639304 /nfs/dbraw/zinc/63/93/04/1137639304.db2.gz JEWCBBLGUVMBGP-LLVKDONJSA-N -1 0 335.325 3.998 20 0 EHADRM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@H](C)[C@@H]2CC2(F)F)c1 ZINC000877570975 1137681645 /nfs/dbraw/zinc/68/16/45/1137681645.db2.gz VLLHRJJNQPCFEP-SKDRFNHKSA-N -1 0 336.304 3.629 20 0 EHADRM O=C(CCc1ncc(-c2ccccc2F)o1)NOCc1ccccc1 ZINC000023040125 1137735519 /nfs/dbraw/zinc/73/55/19/1137735519.db2.gz UXIYTXRVBKYARO-UHFFFAOYSA-N -1 0 340.354 3.661 20 0 EHADRM O=C(COC(=O)c1cc2ccsc2[nH]1)Nc1ccc(Cl)cc1 ZINC000023345706 1137748749 /nfs/dbraw/zinc/74/87/49/1137748749.db2.gz ZQNAIVWXCUYWTO-UHFFFAOYSA-N -1 0 334.784 3.678 20 0 EHADRM O=C(CSc1cc(Cl)ccc1Cl)[N-]O[C@@H]1CCCCO1 ZINC000128237990 1137769110 /nfs/dbraw/zinc/76/91/10/1137769110.db2.gz JMBWOFUJEICBLY-CYBMUJFWSA-N -1 0 336.240 3.660 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCC[C@@H](CF)C3)n2)c1 ZINC000881596973 1137811314 /nfs/dbraw/zinc/81/13/14/1137811314.db2.gz LYMHBTWJAODFLV-AWEZNQCLSA-N -1 0 345.418 3.523 20 0 EHADRM O=S(=O)([N-]c1ncsc1C1CC1)c1cc(F)ccc1Cl ZINC000882771469 1137833929 /nfs/dbraw/zinc/83/39/29/1137833929.db2.gz DGGVJEDXERGAJO-UHFFFAOYSA-N -1 0 332.809 3.614 20 0 EHADRM COc1cccc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1OC ZINC000130130070 1137834506 /nfs/dbraw/zinc/83/45/06/1137834506.db2.gz GCKRENWUIZRFOG-UHFFFAOYSA-N -1 0 342.178 3.969 20 0 EHADRM O=C(NCc1ccc(O)c(F)c1)c1sccc1SC(F)F ZINC000132955940 1137873044 /nfs/dbraw/zinc/87/30/44/1137873044.db2.gz YWKMVLURQATZKW-UHFFFAOYSA-N -1 0 333.356 3.838 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)N[C@H](C)c2cccs2)cc1 ZINC000108067814 1137888555 /nfs/dbraw/zinc/88/85/55/1137888555.db2.gz VJYZHTPSZGMDJX-DMZKTXOQSA-N -1 0 335.494 3.857 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2CC[C@H](C)[C@H]2c2cccc(F)c2)s1 ZINC000331607095 1137914332 /nfs/dbraw/zinc/91/43/32/1137914332.db2.gz VWFSGENGLJTNLN-NHYWBVRUSA-N -1 0 348.447 3.667 20 0 EHADRM CC(=O)c1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)cc1O ZINC000332380680 1137942174 /nfs/dbraw/zinc/94/21/74/1137942174.db2.gz GNLWAHWPYTWFIL-RDTXWAMCSA-N -1 0 337.419 3.861 20 0 EHADRM Cc1ccc(NC(=O)c2c([O-])cccc2F)c(OC[C@@H]2CCCO2)c1 ZINC000121005003 1137954278 /nfs/dbraw/zinc/95/42/78/1137954278.db2.gz MQULWAGKKHTTJC-ZDUSSCGKSA-N -1 0 345.370 3.650 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)c2nc[nH]c2C(F)(F)F)c1 ZINC000885617792 1138012437 /nfs/dbraw/zinc/01/24/37/1138012437.db2.gz BXJQITQFLLENFR-UHFFFAOYSA-N -1 0 341.333 3.996 20 0 EHADRM O=C(Nc1ccc2ccccc2c1)c1nn(-c2ccccc2)cc1[O-] ZINC000216917079 1138013919 /nfs/dbraw/zinc/01/39/19/1138013919.db2.gz KGJBDMUQCOKFRR-UHFFFAOYSA-N -1 0 329.359 3.983 20 0 EHADRM CN(CC1CC1)C(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000137071563 1138045773 /nfs/dbraw/zinc/04/57/73/1138045773.db2.gz SUPPIPNXZVGTFP-UHFFFAOYSA-N -1 0 345.420 3.752 20 0 EHADRM CC(=O)[C@H]1CC[C@H](NC(=O)c2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000887266543 1138251318 /nfs/dbraw/zinc/25/13/18/1138251318.db2.gz WJHOPETWFBIHEK-HOMQSWHASA-N -1 0 330.211 3.577 20 0 EHADRM Cc1c(=O)[nH]c(SC[C@H]2CCCC[C@@H]2O)nc1-c1ccccc1 ZINC000334025961 1138362661 /nfs/dbraw/zinc/36/26/61/1138362661.db2.gz HGVIXLRVLDPLFU-CABCVRRESA-N -1 0 330.453 3.801 20 0 EHADRM CC(C)(C)c1nsc(NC(=O)c2cc(F)c(Cl)nc2Cl)n1 ZINC000264042237 1138410116 /nfs/dbraw/zinc/41/01/16/1138410116.db2.gz SFLKWURPXYCWPR-UHFFFAOYSA-N -1 0 349.218 3.929 20 0 EHADRM Cc1ncc([N-]S(=O)(=O)c2cccc3ccccc32)c(C2CC2)n1 ZINC000337314759 1138529793 /nfs/dbraw/zinc/52/97/93/1138529793.db2.gz XUANELIIKSANBC-UHFFFAOYSA-N -1 0 339.420 3.616 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N2CCCC[C@@H]2C(F)F)s1 ZINC000337527628 1138595817 /nfs/dbraw/zinc/59/58/17/1138595817.db2.gz QJQJOONGVXQQJO-SNVBAGLBSA-N -1 0 332.420 3.515 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)c(O)c1 ZINC000337664274 1138638085 /nfs/dbraw/zinc/63/80/85/1138638085.db2.gz SMXSZAGIJRDXGF-UHFFFAOYSA-N -1 0 336.391 3.784 20 0 EHADRM CO[C@H](C)c1nc(=NCCSc2ccc(Cl)cc2)s[n-]1 ZINC000337906427 1138695746 /nfs/dbraw/zinc/69/57/46/1138695746.db2.gz CRKLAFPEJZAKIP-SECBINFHSA-N -1 0 329.878 3.525 20 0 EHADRM COCc1ccc([C@H]2CCCN2C(=O)c2ccc([O-])c(Cl)c2)o1 ZINC000137454070 1138853987 /nfs/dbraw/zinc/85/39/87/1138853987.db2.gz CDYPLVMGWFYWDW-CQSZACIVSA-N -1 0 335.787 3.762 20 0 EHADRM O=C(c1cccc(F)c1[O-])N1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC000887784872 1138878489 /nfs/dbraw/zinc/87/84/89/1138878489.db2.gz UVANHYVHQHVVJP-FQEVSTJZSA-N -1 0 339.366 3.612 20 0 EHADRM COc1ccc(NC(=O)c2cccc(F)c2[O-])c(C(F)(F)F)c1 ZINC001274215369 1138937489 /nfs/dbraw/zinc/93/74/89/1138937489.db2.gz WVWPISIKZCRGQF-UHFFFAOYSA-N -1 0 329.249 3.811 20 0 EHADRM O=C(NCCC1CCC(F)(F)CC1)c1cc(F)c(F)c([O-])c1F ZINC000890060421 1139308898 /nfs/dbraw/zinc/30/88/98/1139308898.db2.gz VYLFFCPODKTAIQ-UHFFFAOYSA-N -1 0 337.288 3.755 20 0 EHADRM Cc1nc(C)c(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)s1 ZINC000176444779 1139557710 /nfs/dbraw/zinc/55/77/10/1139557710.db2.gz XVPORVUSXPDMTC-UHFFFAOYSA-N -1 0 349.437 3.579 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(F)cc(Cl)c2[O-])C[C@H](c2ccccc2)O1 ZINC000177111629 1139597978 /nfs/dbraw/zinc/59/79/78/1139597978.db2.gz ADBPRTVJTDUSFR-BDJLRTHQSA-N -1 0 349.789 3.787 20 0 EHADRM CCCCC[C@@H](CC)C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000179695860 1139775472 /nfs/dbraw/zinc/77/54/72/1139775472.db2.gz AGRAIBDCYJQRFK-GFCCVEGCSA-N -1 0 335.473 3.550 20 0 EHADRM CC(C)Oc1cccc([C@@H](C)NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000179961870 1139796754 /nfs/dbraw/zinc/79/67/54/1139796754.db2.gz TUCBCLYFXXFLNT-KBMXLJTQSA-N -1 0 333.428 3.542 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000179985550 1139798297 /nfs/dbraw/zinc/79/82/97/1139798297.db2.gz VNGNEBGVZMLWSZ-IJEWVQPXSA-N -1 0 335.831 3.895 20 0 EHADRM COc1ccc(N(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)[C@H](C)C2CC2)cc1 ZINC000179991615 1139799250 /nfs/dbraw/zinc/79/92/50/1139799250.db2.gz MRAFVUVASRHQLQ-KBMXLJTQSA-N -1 0 345.439 3.718 20 0 EHADRM CCC(CC)[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C)c1Cl ZINC000777352266 1139799970 /nfs/dbraw/zinc/79/99/70/1139799970.db2.gz YRVSNFHJTAPTLO-LLVKDONJSA-N -1 0 331.865 3.526 20 0 EHADRM C[C@H](CNC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)CC(=O)[O-] ZINC000777397119 1140045946 /nfs/dbraw/zinc/04/59/46/1140045946.db2.gz WMTCCYAPILDSHE-CRALRDPISA-N -1 0 347.411 3.794 20 0 EHADRM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(C(=O)[O-])co1 ZINC000183776514 1140058369 /nfs/dbraw/zinc/05/83/69/1140058369.db2.gz APUXTDYDNZBSPV-JKSUJKDBSA-N -1 0 327.380 3.776 20 0 EHADRM CC(Cl)(Cl)C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000777428700 1140229614 /nfs/dbraw/zinc/22/96/14/1140229614.db2.gz VGOGRHKWSSTBHK-UHFFFAOYSA-N -1 0 347.423 3.940 20 0 EHADRM O=C([N-]OC[C@H]1CCOC1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000189240623 1140329149 /nfs/dbraw/zinc/32/91/49/1140329149.db2.gz IRFDFLCVQXWBKX-YJBOKZPZSA-N -1 0 343.448 3.604 20 0 EHADRM CCO[C@H](C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC000191389727 1140460839 /nfs/dbraw/zinc/46/08/39/1140460839.db2.gz CBCJQOGPXVDGLJ-KSSFIOAISA-N -1 0 341.407 3.666 20 0 EHADRM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C1 ZINC000192968471 1140557291 /nfs/dbraw/zinc/55/72/91/1140557291.db2.gz BMLSBGPZGHFTPX-GUSZCTEKSA-N -1 0 333.403 3.626 20 0 EHADRM CN(Cc1csc2ccccc12)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000194397387 1140607942 /nfs/dbraw/zinc/60/79/42/1140607942.db2.gz FLTOWUWKUMFNRC-UHFFFAOYSA-N -1 0 331.437 3.751 20 0 EHADRM C[C@H]1CCN(C(=O)C2CCC(C(=O)[O-])CC2)[C@H]1c1cccc(F)c1 ZINC000194433887 1140609826 /nfs/dbraw/zinc/60/98/26/1140609826.db2.gz NWGCAJMWRFDIKV-VBRUCIBASA-N -1 0 333.403 3.626 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000194818985 1140621807 /nfs/dbraw/zinc/62/18/07/1140621807.db2.gz LUWCWPKFBSJJJC-QWHCGFSZSA-N -1 0 329.824 3.685 20 0 EHADRM Cc1cnc(C(C)(C)NC(=O)c2cc(F)c([O-])c(Cl)c2)s1 ZINC000194813527 1140622004 /nfs/dbraw/zinc/62/20/04/1140622004.db2.gz LDGHYJDZZMNSRG-UHFFFAOYSA-N -1 0 328.796 3.615 20 0 EHADRM CCN(C(=O)CSc1n[n-]c(=S)s1)c1cccc(C)c1C ZINC000266990453 1140747489 /nfs/dbraw/zinc/74/74/89/1140747489.db2.gz JAEFBVKFOITRAM-UHFFFAOYSA-N -1 0 339.511 3.589 20 0 EHADRM C[C@H]([N-]C(=O)C(F)(F)C(F)F)c1nc2ccccc2n1C(F)F ZINC000267188640 1140766333 /nfs/dbraw/zinc/76/63/33/1140766333.db2.gz JYLRYKYAAQNMKX-LURJTMIESA-N -1 0 339.239 3.509 20 0 EHADRM CCCCO[C@H](C)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000268898985 1141020083 /nfs/dbraw/zinc/02/00/83/1141020083.db2.gz AWHQKSZLRDJNJE-CYBMUJFWSA-N -1 0 339.457 3.538 20 0 EHADRM CCn1nc([N-]S(=O)(=O)c2cc(C)ccc2Cl)cc1C1CC1 ZINC000270814091 1141273024 /nfs/dbraw/zinc/27/30/24/1141273024.db2.gz QJHICKCROVOFKT-UHFFFAOYSA-N -1 0 339.848 3.543 20 0 EHADRM C[C@@H]1CCN(C(=O)c2s[n-]c(=O)c2Cl)[C@@H]1c1cccc(F)c1 ZINC000283218617 1141574870 /nfs/dbraw/zinc/57/48/70/1141574870.db2.gz APIRCURVVTYFRH-PELKAZGASA-N -1 0 340.807 3.865 20 0 EHADRM CC[C@H](c1n[n-]c(=NC(=O)c2[nH]c(C)cc2C)s1)c1ccccc1 ZINC000348787068 1141579949 /nfs/dbraw/zinc/57/99/49/1141579949.db2.gz PHYUFKULQNQXBS-AWEZNQCLSA-N -1 0 340.452 3.699 20 0 EHADRM COc1cc(OC)c(NC(=O)c2c([O-])cc(F)cc2F)cc1Cl ZINC000066042897 215004331 /nfs/dbraw/zinc/00/43/31/215004331.db2.gz CUTAQOLERUCYGX-UHFFFAOYSA-N -1 0 343.713 3.593 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)c1sc2cc(F)ccc2c1Cl ZINC000038019998 213191041 /nfs/dbraw/zinc/19/10/41/213191041.db2.gz HTFGEHBSWBXQON-UHFFFAOYSA-N -1 0 329.780 3.631 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cc1)c1cc(Cl)sc1Cl ZINC000020626901 212157279 /nfs/dbraw/zinc/15/72/79/212157279.db2.gz IMJLBLMDPRHRIS-UHFFFAOYSA-N -1 0 326.201 3.995 20 0 EHADRM CCOc1ccc(CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)cc1 ZINC000020334659 212120227 /nfs/dbraw/zinc/12/02/27/212120227.db2.gz XZYAAYCKPHOBSK-UHFFFAOYSA-N -1 0 345.420 3.515 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1cc(Br)ccc1F ZINC000019422503 212027582 /nfs/dbraw/zinc/02/75/82/212027582.db2.gz RCLOSGCQGZDFGK-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM O=C([O-])c1ccc(COc2ccc(F)cc2Br)cc1 ZINC000011824973 211253380 /nfs/dbraw/zinc/25/33/80/211253380.db2.gz HERHXPUFZLYNLC-UHFFFAOYSA-N -1 0 325.133 3.865 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000776629929 596918143 /nfs/dbraw/zinc/91/81/43/596918143.db2.gz JYWXZCJESKRZKC-UHFFFAOYSA-N -1 0 327.380 3.743 20 0 EHADRM C[C@H](CC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(C(F)(F)F)cc1 ZINC000237519235 596927550 /nfs/dbraw/zinc/92/75/50/596927550.db2.gz KHPMOJYNONXWQF-LLVKDONJSA-N -1 0 343.345 3.522 20 0 EHADRM CCC(C)(C)OCc1cccc(NC(=O)N(C)CCC(=O)[O-])c1C ZINC000818132394 596987288 /nfs/dbraw/zinc/98/72/88/596987288.db2.gz VZHZGVWZDJQDEW-UHFFFAOYSA-N -1 0 336.432 3.639 20 0 EHADRM Cc1ccccc1[C@@H](OC(=O)CSCC(=O)[O-])c1cccs1 ZINC000740187484 597106689 /nfs/dbraw/zinc/10/66/89/597106689.db2.gz PWFCFFMEAWFMDW-MRXNPFEDSA-N -1 0 336.434 3.507 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2C(F)(F)F)C1 ZINC000583742473 597119874 /nfs/dbraw/zinc/11/98/74/597119874.db2.gz VCMFIWGXJWEGEM-VIFPVBQESA-N -1 0 348.296 3.563 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N[C@H](c2cccs2)C2CC2)c1 ZINC000738624735 597185374 /nfs/dbraw/zinc/18/53/74/597185374.db2.gz RYPGAYUJVQZFTO-INIZCTEOSA-N -1 0 330.409 3.648 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(CC(=O)[O-])c2)o1 ZINC000738265833 597190257 /nfs/dbraw/zinc/19/02/57/597190257.db2.gz RFZXLNZMMXDJHZ-HNNXBMFYSA-N -1 0 328.368 3.584 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)NCCCCCC(=O)[O-] ZINC000315069876 597234326 /nfs/dbraw/zinc/23/43/26/597234326.db2.gz RQAIXRCBEQRFDU-GFCCVEGCSA-N -1 0 326.824 3.687 20 0 EHADRM CC(C)(C)c1ccccc1OCC(=O)Nc1ccccc1CC(=O)[O-] ZINC000236754468 597269226 /nfs/dbraw/zinc/26/92/26/597269226.db2.gz XOZUGXKDSDXOPW-UHFFFAOYSA-N -1 0 341.407 3.629 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)NCCc1cccc2ccccc21 ZINC000819618288 597337502 /nfs/dbraw/zinc/33/75/02/597337502.db2.gz SEWSJJRRPHWJCY-UHFFFAOYSA-N -1 0 348.402 3.831 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N1CCC[C@H]1c1ccsc1 ZINC000819610810 597340557 /nfs/dbraw/zinc/34/05/57/597340557.db2.gz VAUXTSKCLAJHON-HNNXBMFYSA-N -1 0 330.409 3.744 20 0 EHADRM Cc1csc([C@@H]2CCCCN2C(=O)c2cccc(C(=O)[O-])c2)n1 ZINC000261907036 598143178 /nfs/dbraw/zinc/14/31/78/598143178.db2.gz XESAHOWBWIYNAG-AWEZNQCLSA-N -1 0 330.409 3.517 20 0 EHADRM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)NCCCCC(=O)[O-] ZINC000666558827 598167786 /nfs/dbraw/zinc/16/77/86/598167786.db2.gz ZKSVWUGWGRPRRU-SNVBAGLBSA-N -1 0 347.242 3.951 20 0 EHADRM Cc1cc(SC(C)(C)C)ccc1NC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000821045882 598206695 /nfs/dbraw/zinc/20/66/95/598206695.db2.gz JMUBFFOCKPREKL-CQSZACIVSA-N -1 0 336.457 3.967 20 0 EHADRM Cc1[nH]c(C(=O)N[C@H]2CCCCc3ccccc32)c(C)c1C(=O)[O-] ZINC000738238553 599702912 /nfs/dbraw/zinc/70/29/12/599702912.db2.gz YKCDQWCLRFFNOJ-HNNXBMFYSA-N -1 0 326.396 3.527 20 0 EHADRM CCCC[C@@H](C(=O)[O-])N(C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000736975273 599705538 /nfs/dbraw/zinc/70/55/38/599705538.db2.gz TVMKUHPJUHWTAU-LBPRGKRZSA-N -1 0 347.242 3.507 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)[C@H]2C[C@H]2c2cccc3ccccc32)cc1 ZINC000238036778 599706087 /nfs/dbraw/zinc/70/60/87/599706087.db2.gz OTRFGRXMUDARFY-PMACEKPBSA-N -1 0 345.398 3.958 20 0 EHADRM CCOCCN(Cc1ccc(C(=O)[O-])o1)Cc1cc(C)sc1C ZINC000574406348 599708563 /nfs/dbraw/zinc/70/85/63/599708563.db2.gz MXLYWDATKAGRRR-UHFFFAOYSA-N -1 0 337.441 3.695 20 0 EHADRM C[C@@H](COc1ccccc1)NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736616549 599712868 /nfs/dbraw/zinc/71/28/68/599712868.db2.gz RYLOZOZLUYJIOD-NSHDSACASA-N -1 0 347.346 3.505 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N[C@H]2CCCc3occc32)ccc1F ZINC000740006231 599715513 /nfs/dbraw/zinc/71/55/13/599715513.db2.gz TWBTYKVOMUDRJO-LBPRGKRZSA-N -1 0 333.319 3.708 20 0 EHADRM C[C@H](Cc1ccccc1F)NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736630517 599717838 /nfs/dbraw/zinc/71/78/38/599717838.db2.gz XXMKFVNRWVULPC-SNVBAGLBSA-N -1 0 349.337 3.807 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cc(Cl)ccc2Cl)c1O ZINC000124536185 599719816 /nfs/dbraw/zinc/71/98/16/599719816.db2.gz LOHAEVUDPVTNRJ-UHFFFAOYSA-N -1 0 326.135 3.650 20 0 EHADRM C[C@H]1CCc2sc(C(=O)Nc3cccc(C(=O)[O-])c3O)cc2C1 ZINC000322677073 599720279 /nfs/dbraw/zinc/72/02/79/599720279.db2.gz LMDVAFVBTWLKTA-VIFPVBQESA-N -1 0 331.393 3.529 20 0 EHADRM C[C@H](C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)n1cnc2ccccc21 ZINC000325045496 599730053 /nfs/dbraw/zinc/73/00/53/599730053.db2.gz OAVNPBPGTUKNIT-SNVBAGLBSA-N -1 0 343.770 3.588 20 0 EHADRM CCCN(Cc1c(F)cccc1Cl)C(=O)CCCN(C)C(=O)[O-] ZINC000737019663 599730991 /nfs/dbraw/zinc/73/09/91/599730991.db2.gz HTGGQCBTFQIFFU-UHFFFAOYSA-N -1 0 344.814 3.608 20 0 EHADRM Cn1c(C(=O)Nc2ccc(C(=O)[O-])s2)ccc1-c1ccc(F)cc1 ZINC000739012609 599732673 /nfs/dbraw/zinc/73/26/73/599732673.db2.gz KAEKRIDIZFZFPW-UHFFFAOYSA-N -1 0 344.367 3.843 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3)C(=O)[O-] ZINC000737238508 599742301 /nfs/dbraw/zinc/74/23/01/599742301.db2.gz SNWPREFHJOPBJS-SOZUMNATSA-N -1 0 342.439 3.522 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1cnc(C2CC2)s1 ZINC000558903221 599745359 /nfs/dbraw/zinc/74/53/59/599745359.db2.gz YPFBQBVILHJAJR-UHFFFAOYSA-N -1 0 346.408 3.758 20 0 EHADRM CCC/C=C/C(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC000736972917 599748331 /nfs/dbraw/zinc/74/83/31/599748331.db2.gz HRSTXFHRNROMCO-XBXARRHUSA-N -1 0 330.409 3.727 20 0 EHADRM CN(CCC1CCCCC1)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000737415525 599756460 /nfs/dbraw/zinc/75/64/60/599756460.db2.gz PQZYYNUJGNTHIY-UHFFFAOYSA-N -1 0 334.416 3.584 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)Nc1cccc(C(F)F)c1 ZINC000386182710 599758537 /nfs/dbraw/zinc/75/85/37/599758537.db2.gz AERNJWXBAXUBJY-UHFFFAOYSA-N -1 0 334.322 3.986 20 0 EHADRM CC[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc(OC)cc1)c1ccccc1 ZINC000263147392 599764278 /nfs/dbraw/zinc/76/42/78/599764278.db2.gz LBSTUQDATKFLMU-IFXJQAMLSA-N -1 0 341.407 3.521 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000238032210 599768137 /nfs/dbraw/zinc/76/81/37/599768137.db2.gz VEPLKLGPFLRLKZ-UHFFFAOYSA-N -1 0 348.742 3.518 20 0 EHADRM Cc1ccc(OCCC(=O)Nc2ccc(CCC(=O)[O-])cc2)c(C)c1 ZINC000237710293 599769746 /nfs/dbraw/zinc/76/97/46/599769746.db2.gz WPICPTISPQJOHL-UHFFFAOYSA-N -1 0 341.407 3.728 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)CCc2ccc(Cl)s2)cc1 ZINC000238028021 599770921 /nfs/dbraw/zinc/77/09/21/599770921.db2.gz CCDFDEXZDHKJFH-UHFFFAOYSA-N -1 0 337.828 3.990 20 0 EHADRM Cc1cc(CN(C)[C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)no1 ZINC000568639812 599771232 /nfs/dbraw/zinc/77/12/32/599771232.db2.gz UGZLSTLVZNRRIU-ZDUSSCGKSA-N -1 0 329.183 3.548 20 0 EHADRM CCCc1c(C(=O)N[C@H]2CCc3c2cccc3C)[nH]c(C)c1C(=O)[O-] ZINC000737039689 599774783 /nfs/dbraw/zinc/77/47/83/599774783.db2.gz HCJLIHZZNSDGMX-INIZCTEOSA-N -1 0 340.423 3.700 20 0 EHADRM Cc1nc(CC(C)C)sc1C(=O)OCc1cccc(C(=O)[O-])c1 ZINC000738852075 599787529 /nfs/dbraw/zinc/78/75/29/599787529.db2.gz RPEYHELFBQUKHR-UHFFFAOYSA-N -1 0 333.409 3.705 20 0 EHADRM CC(C)(C)c1nc(CN[C@H](C(=O)[O-])c2cc(F)ccc2F)cs1 ZINC000683173628 599787906 /nfs/dbraw/zinc/78/79/06/599787906.db2.gz NIOMVENAJGOHRH-ZDUSSCGKSA-N -1 0 340.395 3.634 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCCCc2c[nH]c3ccccc23)cc1 ZINC000738500361 599793557 /nfs/dbraw/zinc/79/35/57/599793557.db2.gz GWRJHTKVVWATGT-UHFFFAOYSA-N -1 0 337.379 3.620 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cs1 ZINC000738845560 599794258 /nfs/dbraw/zinc/79/42/58/599794258.db2.gz UFXDBSNUQDUSOK-SSDOTTSWSA-N -1 0 338.364 3.563 20 0 EHADRM O=C([O-])c1ccc2c(=O)[nH]c(C=Cc3cc(F)c(F)c(F)c3)nc2c1 ZINC000740190223 599794610 /nfs/dbraw/zinc/79/46/10/599794610.db2.gz MZKJWOLNQYNCFT-RJRFIUFISA-N -1 0 346.264 3.621 20 0 EHADRM Cc1cc(OC(=O)CCSCC(=O)[O-])c(C(C)C)cc1Cl ZINC000738464303 599797929 /nfs/dbraw/zinc/79/79/29/599797929.db2.gz FSRXMSWZMXSFKR-UHFFFAOYSA-N -1 0 330.833 3.885 20 0 EHADRM CCn1c(SCc2cc(C(=O)[O-])co2)nnc1-c1ccccc1 ZINC000737299610 599802058 /nfs/dbraw/zinc/80/20/58/599802058.db2.gz OZUDGQMAHJUXSQ-UHFFFAOYSA-N -1 0 329.381 3.549 20 0 EHADRM O=C([O-])c1coc(CSc2nnc(-c3ccccc3Cl)o2)c1 ZINC000740268738 599802886 /nfs/dbraw/zinc/80/28/86/599802886.db2.gz GLGCTXAEOMRRED-UHFFFAOYSA-N -1 0 336.756 3.974 20 0 EHADRM O=C([O-])c1coc(CSc2nnc(NCc3ccccc3)s2)c1 ZINC000740270130 599803110 /nfs/dbraw/zinc/80/31/10/599803110.db2.gz YDRYFISOLFLTIZ-UHFFFAOYSA-N -1 0 347.421 3.734 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N1CC[C@H](c2cccc(F)c2)C1 ZINC000740239507 599806232 /nfs/dbraw/zinc/80/62/32/599806232.db2.gz GKSKUNLDEQDHOK-ZDUSSCGKSA-N -1 0 328.343 3.545 20 0 EHADRM CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1ccc2oc3ccccc3c2c1 ZINC000736373906 599806406 /nfs/dbraw/zinc/80/64/06/599806406.db2.gz CZRNQYQDOHEZCW-MRXNPFEDSA-N -1 0 326.352 3.817 20 0 EHADRM C[C@@H](CC(=O)NCc1c2ccccc2sc1C(=O)[O-])n1cccc1 ZINC000676018218 599810192 /nfs/dbraw/zinc/81/01/92/599810192.db2.gz BXTYISQCOFDABL-LBPRGKRZSA-N -1 0 342.420 3.669 20 0 EHADRM Cc1nn(-c2ccccc2)cc1C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000738901607 599810936 /nfs/dbraw/zinc/81/09/36/599810936.db2.gz XTWACAALZYAXTO-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)C[C@@H]1CCCc2ccccc21 ZINC000262368991 599814295 /nfs/dbraw/zinc/81/42/95/599814295.db2.gz FSKIBWGGODXJJU-PXNSSMCTSA-N -1 0 349.430 3.535 20 0 EHADRM Cc1c(NC(=O)N2CC[C@@H](c3cccc(F)c3)C2)cccc1C(=O)[O-] ZINC000738305277 599818496 /nfs/dbraw/zinc/81/84/96/599818496.db2.gz YAWRDFADGJQRKH-CQSZACIVSA-N -1 0 342.370 3.854 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)Nc2cc(F)ccc2Cl)cc1 ZINC000322894226 599819152 /nfs/dbraw/zinc/81/91/52/599819152.db2.gz NYPXEDJNWRXETG-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM Cc1ccccc1C[C@@H](C)NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000738770341 599823789 /nfs/dbraw/zinc/82/37/89/599823789.db2.gz ZRLAZANKPXLBDY-OAHLLOKOSA-N -1 0 340.423 3.765 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)cc1 ZINC000739762044 599824237 /nfs/dbraw/zinc/82/42/37/599824237.db2.gz YSUMKWHKFZEWSX-SFYZZRBRSA-N -1 0 342.439 3.746 20 0 EHADRM Cc1ccc(CNC(=O)Nc2ccc(CCC(=O)[O-])cc2)c(C)c1 ZINC000738281519 599826367 /nfs/dbraw/zinc/82/63/67/599826367.db2.gz DGKLAVAFHIABQY-UHFFFAOYSA-N -1 0 326.396 3.642 20 0 EHADRM CN(C(=O)CCn1c2ccccc2c2ccccc21)C(C)(C)C(=O)[O-] ZINC000737323792 599827126 /nfs/dbraw/zinc/82/71/26/599827126.db2.gz HUODZRDMLQKXIV-UHFFFAOYSA-N -1 0 338.407 3.506 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccccc1 ZINC000392524845 599828187 /nfs/dbraw/zinc/82/81/87/599828187.db2.gz YAQWUZFQGKUUTM-CQSZACIVSA-N -1 0 326.396 3.629 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2csc(-c3ccoc3)n2)cc1 ZINC000238059437 599828378 /nfs/dbraw/zinc/82/83/78/599828378.db2.gz JAHAAZYHFBQGOF-UHFFFAOYSA-N -1 0 342.376 3.673 20 0 EHADRM CC[C@@H](C)Oc1cc(/C=C(/C(=O)[O-])c2ccncc2)ccc1OC ZINC000736888476 599830678 /nfs/dbraw/zinc/83/06/78/599830678.db2.gz XYILIEZFCJWIGN-KWWJGWKXSA-N -1 0 327.380 3.893 20 0 EHADRM CN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000316238268 599836652 /nfs/dbraw/zinc/83/66/52/599836652.db2.gz BNPCIWQMAIJRNQ-UHFFFAOYSA-N -1 0 342.779 3.903 20 0 EHADRM COc1cc(C2(C(=O)NCCCCCC(=O)[O-])CCCC2)ccc1C ZINC000237306959 599839469 /nfs/dbraw/zinc/83/94/69/599839469.db2.gz STVYFGSYHZCZLJ-UHFFFAOYSA-N -1 0 347.455 3.577 20 0 EHADRM Cc1nc(-c2ccco2)ccc1C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000738838435 599842942 /nfs/dbraw/zinc/84/29/42/599842942.db2.gz VMVKSWIWVVLYRQ-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM Cc1ccc(C(C)C)cc1OCC(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000738553311 599847865 /nfs/dbraw/zinc/84/78/65/599847865.db2.gz WLJOZAXOUNNGSF-UHFFFAOYSA-N -1 0 345.370 3.973 20 0 EHADRM COc1ccc(COCCOc2ccc(Cl)cc2C(=O)[O-])cc1 ZINC000738010093 599854830 /nfs/dbraw/zinc/85/48/30/599854830.db2.gz AKGVDSXVKKFPDG-UHFFFAOYSA-N -1 0 336.771 3.642 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2CCCC[C@@H]2Cc2ccccc2)s1 ZINC000740111458 599868213 /nfs/dbraw/zinc/86/82/13/599868213.db2.gz VXNRFFDSJDQODQ-CABCVRRESA-N -1 0 343.448 3.978 20 0 EHADRM Cc1cc(COC(=O)Cc2ccccc2C(F)(F)F)oc1C(=O)[O-] ZINC000738391374 599871362 /nfs/dbraw/zinc/87/13/62/599871362.db2.gz AZTDOYJBQBQVNE-UHFFFAOYSA-N -1 0 342.269 3.591 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccsc2C(=O)[O-])cc1 ZINC000043202976 599873385 /nfs/dbraw/zinc/87/33/85/599873385.db2.gz WHTKTZDEJCSVFU-JTQLQIEISA-N -1 0 339.438 3.761 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)Nc2ccc(F)cc2)cc1 ZINC000738201781 599880943 /nfs/dbraw/zinc/88/09/43/599880943.db2.gz VYVNDOQXTGRGOA-HNNXBMFYSA-N -1 0 348.399 3.885 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)NC2CC(c3ccccc3)C2)c1 ZINC000739463117 599886838 /nfs/dbraw/zinc/88/68/38/599886838.db2.gz MCMQJLYOADBEFO-UHFFFAOYSA-N -1 0 328.343 3.592 20 0 EHADRM Cc1ccc(-c2csc(NC(=O)[C@@H](NC(=O)[O-])C(C)C)n2)c(C)c1 ZINC000738249545 599889833 /nfs/dbraw/zinc/88/98/33/599889833.db2.gz RZCFKBKHEIKOPY-AWEZNQCLSA-N -1 0 347.440 3.658 20 0 EHADRM O=C([O-])c1ccc(C(=O)O[C@H](c2ccccc2)c2cccnc2)cc1 ZINC000740121418 599890483 /nfs/dbraw/zinc/89/04/83/599890483.db2.gz RLYPXHLPQIGWNN-GOSISDBHSA-N -1 0 333.343 3.726 20 0 EHADRM O=C([O-])C1(NC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)CCCCC1 ZINC000238052859 599890661 /nfs/dbraw/zinc/89/06/61/599890661.db2.gz XPIFQYHEAULNSS-QZTJIDSGSA-N -1 0 337.419 3.847 20 0 EHADRM Cc1nc2ccc(NC(=O)c3cccc(NC(=O)[O-])c3)cc2s1 ZINC000738874343 599894610 /nfs/dbraw/zinc/89/46/10/599894610.db2.gz JFCJARHCTJEHAX-UHFFFAOYSA-N -1 0 327.365 3.947 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cccc(OC2CCCC2)c1)c1ccccc1 ZINC000238022459 599897015 /nfs/dbraw/zinc/89/70/15/599897015.db2.gz TUNYIUUICHQMKB-SFHVURJKSA-N -1 0 339.391 3.564 20 0 EHADRM CC(C)(C(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1ccc(F)cc1 ZINC000736223261 599901278 /nfs/dbraw/zinc/90/12/78/599901278.db2.gz FKTHKSLEBMTSJK-UHFFFAOYSA-N -1 0 337.297 3.718 20 0 EHADRM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736714797 599902108 /nfs/dbraw/zinc/90/21/08/599902108.db2.gz IHKJALQBJYFXJC-JTQLQIEISA-N -1 0 334.322 3.888 20 0 EHADRM Cc1c(CNC(=O)c2cccc(NC(=O)[O-])c2)oc2ccc(F)cc12 ZINC000738289440 599909460 /nfs/dbraw/zinc/90/94/60/599909460.db2.gz QPAOJLZRJZXBJX-UHFFFAOYSA-N -1 0 342.326 3.900 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)C[C@H](C)c1ccccc1F ZINC000737865804 599912670 /nfs/dbraw/zinc/91/26/70/599912670.db2.gz KEBFDJDPZNJJGJ-NSHDSACASA-N -1 0 332.327 3.632 20 0 EHADRM C[C@H](CN(C(=O)CCc1ccc(Cl)cc1Cl)C1CC1)C(=O)[O-] ZINC000237596297 599924425 /nfs/dbraw/zinc/92/44/25/599924425.db2.gz YKOFDTKCFGRMJR-SNVBAGLBSA-N -1 0 344.238 3.638 20 0 EHADRM C[C@@H](NC(=S)N[C@H](CCC(=O)[O-])c1ccccc1)c1cccs1 ZINC000736660075 599926670 /nfs/dbraw/zinc/92/66/70/599926670.db2.gz DHAUKECDASEXRA-TZMCWYRMSA-N -1 0 348.493 3.879 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)cc1F)C(=O)[O-] ZINC000237028372 599926727 /nfs/dbraw/zinc/92/67/27/599926727.db2.gz FAQPQYBQZVPSKK-DIFFPNOSSA-N -1 0 347.361 3.861 20 0 EHADRM Cc1cc2nc(-c3ccccc3)cc(C(=O)NCCC(=O)[O-])c2cc1C ZINC000738478125 599930274 /nfs/dbraw/zinc/93/02/74/599930274.db2.gz BFAAQUBKRJTIDP-UHFFFAOYSA-N -1 0 348.402 3.723 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)Cc1cccc(Cl)c1)c1ccccc1 ZINC000194684001 599930844 /nfs/dbraw/zinc/93/08/44/599930844.db2.gz NMYONLYVZRSWHW-MRXNPFEDSA-N -1 0 331.799 3.605 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)C(F)(F)c1ccccc1)c1ccccc1 ZINC000139406757 599932965 /nfs/dbraw/zinc/93/29/65/599932965.db2.gz OBABXJJVQMWTTD-HNNXBMFYSA-N -1 0 333.334 3.501 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)c1ccc(-n2cccc2)cc1)c1ccccc1 ZINC000739662481 599935731 /nfs/dbraw/zinc/93/57/31/599935731.db2.gz JRXDHHSWXLNTFO-IBGZPJMESA-N -1 0 348.402 3.813 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)c1ccc(F)cc1Cl)c1ccccc1 ZINC000320245050 599937974 /nfs/dbraw/zinc/93/79/74/599937974.db2.gz XBFZXSXRHNVPAC-OAHLLOKOSA-N -1 0 335.762 3.815 20 0 EHADRM CN(CC(=O)[O-])C(=O)[C@@H](Sc1ccccc1Cl)c1ccccc1 ZINC000427762592 599939421 /nfs/dbraw/zinc/93/94/21/599939421.db2.gz HQNLLRUFLXEEQC-INIZCTEOSA-N -1 0 349.839 3.716 20 0 EHADRM CC(C)c1ccsc1C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000486152814 599942108 /nfs/dbraw/zinc/94/21/08/599942108.db2.gz DJVHBGXPLRRJFI-ZDUSSCGKSA-N -1 0 349.427 3.684 20 0 EHADRM O=C([O-])c1sc2ccccc2c1COC(=O)Cc1cccc(O)c1 ZINC000739344536 599945761 /nfs/dbraw/zinc/94/57/61/599945761.db2.gz BDUYPCBPARFIOB-UHFFFAOYSA-N -1 0 342.372 3.591 20 0 EHADRM O=C([O-])c1sc2ccccc2c1COC(=O)CCc1nccs1 ZINC000739267567 599945826 /nfs/dbraw/zinc/94/58/26/599945826.db2.gz HKQPMMHIHXLNJU-UHFFFAOYSA-N -1 0 347.417 3.732 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c1O ZINC000325694894 599948510 /nfs/dbraw/zinc/94/85/10/599948510.db2.gz REZNLOWJHSBOTG-UHFFFAOYSA-N -1 0 343.232 3.501 20 0 EHADRM Cc1ccc2cc(C(=O)N[C@@H](CCC(=O)[O-])c3ccccc3)[nH]c2c1 ZINC000139282030 599952895 /nfs/dbraw/zinc/95/28/95/599952895.db2.gz KHNDFJVRFMDMEI-INIZCTEOSA-N -1 0 336.391 3.812 20 0 EHADRM CCCc1ccccc1NC(=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC000737051126 599955064 /nfs/dbraw/zinc/95/50/64/599955064.db2.gz RRWMNDXXXHOHKG-UHFFFAOYSA-N -1 0 342.395 3.538 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1Cn1nc(-c2ccccc2)sc1=S ZINC000739638891 599955180 /nfs/dbraw/zinc/95/51/80/599955180.db2.gz DLJDICRHQLHACW-CYBMUJFWSA-N -1 0 349.481 3.628 20 0 EHADRM Cc1ccccc1C1(C(=O)Oc2ccc(C(=O)[O-])cc2Cl)CC1 ZINC000738761736 599969601 /nfs/dbraw/zinc/96/96/01/599969601.db2.gz SIYXLAAENLFYRI-UHFFFAOYSA-N -1 0 330.767 3.984 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2ccccc2s1)c1cc(F)ccc1F ZINC000739368255 599977803 /nfs/dbraw/zinc/97/78/03/599977803.db2.gz KYXQTCZECHNVNK-HNNXBMFYSA-N -1 0 347.342 3.735 20 0 EHADRM CSC[C@H](C)C(=O)OCc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000738140157 599979612 /nfs/dbraw/zinc/97/96/12/599979612.db2.gz SPWUVWPPYBKBIT-QMMMGPOBSA-N -1 0 342.413 3.781 20 0 EHADRM Cc1ccc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)c(O)c1C ZINC000738519511 599991327 /nfs/dbraw/zinc/99/13/27/599991327.db2.gz HFBBAHGZYOYDEA-UHFFFAOYSA-N -1 0 345.420 3.579 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000325405526 599999414 /nfs/dbraw/zinc/99/94/14/599999414.db2.gz IOECHMSHDFSMLY-UHFFFAOYSA-N -1 0 339.269 3.665 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC000738119952 600001708 /nfs/dbraw/zinc/00/17/08/600001708.db2.gz JWPZRCQFWZQRJE-SCLBCKFNSA-N -1 0 328.364 3.558 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)OCc1cc(C)c(C(=O)[O-])o1 ZINC000738118463 600001732 /nfs/dbraw/zinc/00/17/32/600001732.db2.gz BNIQJOSZCKALDY-NSHDSACASA-N -1 0 332.352 3.532 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cc3c(s2)CC[C@@H](C)C3)c1 ZINC000325385456 600003108 /nfs/dbraw/zinc/00/31/08/600003108.db2.gz OKZLSSBIYFTFEO-SNVBAGLBSA-N -1 0 345.420 3.832 20 0 EHADRM C[C@@H](NC(=O)CNc1ccc(C(=O)[O-])cc1)c1cccc2ccccc21 ZINC000736639749 600003533 /nfs/dbraw/zinc/00/35/33/600003533.db2.gz VQIDRSAERGKUOJ-CQSZACIVSA-N -1 0 348.402 3.827 20 0 EHADRM Cc1ccc(F)c(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)c1 ZINC000236634446 600008625 /nfs/dbraw/zinc/00/86/25/600008625.db2.gz UFAUNBPTGHPACJ-UHFFFAOYSA-N -1 0 331.343 3.872 20 0 EHADRM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCCCCCC(=O)[O-] ZINC000237592697 600009969 /nfs/dbraw/zinc/00/99/69/600009969.db2.gz VMOXEXSZVXIFGQ-JTQLQIEISA-N -1 0 348.226 3.522 20 0 EHADRM CC(C)Cc1ccc([C@@H](C)NC(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000263129877 600011728 /nfs/dbraw/zinc/01/17/28/600011728.db2.gz YTZQFJYWWGTMHE-RWBZWWBESA-N -1 0 346.471 3.889 20 0 EHADRM C[C@@H](NC(=O)NC1CCC(C(=O)[O-])CC1)c1cccc2ccccc21 ZINC000263050316 600012530 /nfs/dbraw/zinc/01/25/30/600012530.db2.gz RCXISCQRLBJNQL-IUDNXUCKSA-N -1 0 340.423 3.843 20 0 EHADRM C[C@@H](NC(=O)NC1CCC(C(=O)[O-])CC1)c1ccc2c(c1)CCCC2 ZINC000262940912 600012714 /nfs/dbraw/zinc/01/27/14/600012714.db2.gz HJHVVUIHZOQGQR-MJJDPTRDSA-N -1 0 344.455 3.569 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000237674959 600015644 /nfs/dbraw/zinc/01/56/44/600015644.db2.gz HXLXLTOLHCLGQW-CQSZACIVSA-N -1 0 329.421 3.660 20 0 EHADRM Cc1cc(NC(=O)N2CCc3sccc3[C@H]2C)ccc1C(=O)[O-] ZINC000390665755 600016717 /nfs/dbraw/zinc/01/67/17/600016717.db2.gz QWXOSCKBHXSRMX-LLVKDONJSA-N -1 0 330.409 3.906 20 0 EHADRM C[C@@H](NC(=O)NC1CCC(C(=O)[O-])CC1)c1ccc(C(C)(C)C)cc1 ZINC000263010749 600017909 /nfs/dbraw/zinc/01/79/09/600017909.db2.gz NPXCZVPGJMCRQQ-BZOOQXSSSA-N -1 0 346.471 3.988 20 0 EHADRM C[C@H]1CCCC[C@H]1NC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000736784428 600020925 /nfs/dbraw/zinc/02/09/25/600020925.db2.gz IXYRQOTWOGYFBW-SWLSCSKDSA-N -1 0 336.457 3.705 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)NC2CCC(C(=O)[O-])CC2)c2ccccc21 ZINC000263001963 600021308 /nfs/dbraw/zinc/02/13/08/600021308.db2.gz MWUURWOGHYQWRC-MQBCKMQZSA-N -1 0 344.455 3.742 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)NCc1ccc3ccccc3c1)C2 ZINC000740199070 600023946 /nfs/dbraw/zinc/02/39/46/600023946.db2.gz FNGGQCZQMNAOHV-UHFFFAOYSA-N -1 0 346.386 3.763 20 0 EHADRM Cc1cccc(C[C@H](CNC(=O)Nc2ccc(C)c(C)c2)C(=O)[O-])c1 ZINC000738707895 600024806 /nfs/dbraw/zinc/02/48/06/600024806.db2.gz JHGQXHTVBNQQAI-QGZVFWFLSA-N -1 0 340.423 3.677 20 0 EHADRM Cc1cccc(C[C@@H](CNC(=O)Nc2c(C)cccc2C)C(=O)[O-])c1 ZINC000738707098 600025796 /nfs/dbraw/zinc/02/57/96/600025796.db2.gz DVTICJSBYCUODS-KRWDZBQOSA-N -1 0 340.423 3.677 20 0 EHADRM Cc1cccc(C[C@@H](CNC(=O)Nc2cc(F)ccc2C)C(=O)[O-])c1 ZINC000738709438 600025960 /nfs/dbraw/zinc/02/59/60/600025960.db2.gz UHUYVNBXOQRZFD-HNNXBMFYSA-N -1 0 344.386 3.508 20 0 EHADRM Cc1ccc(SCCC(=O)Oc2cccc(CC(=O)[O-])c2)cc1 ZINC000738667868 600027368 /nfs/dbraw/zinc/02/73/68/600027368.db2.gz JMFGOEHLMNVWQW-UHFFFAOYSA-N -1 0 330.405 3.710 20 0 EHADRM CCCN(C(=O)NC1CCC(C(=O)[O-])CC1)[C@@H]1CCc2ccccc21 ZINC000263509185 600027668 /nfs/dbraw/zinc/02/76/68/600027668.db2.gz YEWTUJRXJCHYFQ-LEOMRAHMSA-N -1 0 344.455 3.739 20 0 EHADRM Cc1ccc(C)c(CSCC(=O)Nc2ccsc2C(=O)[O-])c1 ZINC000738574532 600033498 /nfs/dbraw/zinc/03/34/98/600033498.db2.gz QXHYASBGYBBEHL-UHFFFAOYSA-N -1 0 335.450 3.935 20 0 EHADRM Cc1ccc(NC(=S)N2Cc3ccc(C(=O)[O-])cc3C2)cc1C ZINC000738627687 600033984 /nfs/dbraw/zinc/03/39/84/600033984.db2.gz JIFZHCYIQYKEIZ-UHFFFAOYSA-N -1 0 326.421 3.714 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)Cc1ccc(OCC(C)C)cc1 ZINC000120190336 600034466 /nfs/dbraw/zinc/03/44/66/600034466.db2.gz XYFQTGZDVHEIBF-UHFFFAOYSA-N -1 0 341.407 3.909 20 0 EHADRM COc1ccccc1C/C(C)=C\C(=O)OCc1cc(C(=O)[O-])c(C)o1 ZINC000738124160 600036595 /nfs/dbraw/zinc/03/65/95/600036595.db2.gz MDPKHFFPSSEKGL-XFXZXTDPSA-N -1 0 344.363 3.527 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N[C@H]2CCSc3ccccc32)cc1 ZINC000238072942 600039197 /nfs/dbraw/zinc/03/91/97/600039197.db2.gz BUYRAEIVAFSLPZ-INIZCTEOSA-N -1 0 341.432 3.671 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3CCC[C@@H](C(=O)[O-])C3)c(F)c2)cc1 ZINC000136149449 600039388 /nfs/dbraw/zinc/03/93/88/600039388.db2.gz YSBVGGGKJOYMQV-MRXNPFEDSA-N -1 0 341.382 3.738 20 0 EHADRM Cc1cc(NC(=O)c2ccc3[nH]c(C(F)F)nc3c2)ccc1C(=O)[O-] ZINC000532256171 600040353 /nfs/dbraw/zinc/04/03/53/600040353.db2.gz VGZKWBKWTOQFOA-UHFFFAOYSA-N -1 0 345.305 3.759 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)NC2(c3ccc(F)cc3)CCC2)cc1 ZINC000675960754 600041318 /nfs/dbraw/zinc/04/13/18/600041318.db2.gz LCVFGRLXPDQIRV-UHFFFAOYSA-N -1 0 341.382 3.652 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N[C@@H]2CCc3c2cccc3Cl)cc1 ZINC000238070485 600041409 /nfs/dbraw/zinc/04/14/09/600041409.db2.gz DJIMYHUDYLWNDR-QGZVFWFLSA-N -1 0 343.810 3.775 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)CCc1ccccc1Cl)C2 ZINC000321570816 600041638 /nfs/dbraw/zinc/04/16/38/600041638.db2.gz CHFZEXKUNLRMJW-UHFFFAOYSA-N -1 0 329.783 3.513 20 0 EHADRM CCc1cccc2c(CC(=O)N3Cc4ccc(C(=O)[O-])cc4C3)c[nH]c21 ZINC000737270709 600044944 /nfs/dbraw/zinc/04/49/44/600044944.db2.gz WSJDNSYXEGCAFL-UHFFFAOYSA-N -1 0 348.402 3.513 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)/C=C\Sc1ccccc1)C2 ZINC000740189585 600047093 /nfs/dbraw/zinc/04/70/93/600047093.db2.gz UAQYPTROOIKWOS-HJWRWDBZSA-N -1 0 325.389 3.533 20 0 EHADRM O=C([O-])C1CCC(NC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000238020120 600051052 /nfs/dbraw/zinc/05/10/52/600051052.db2.gz SGGNUJGZJPRWOU-UHFFFAOYSA-N -1 0 337.828 3.928 20 0 EHADRM O=C([O-])C1CCC(NC(=O)c2ccccc2Cc2ccccc2)CC1 ZINC000238015663 600051957 /nfs/dbraw/zinc/05/19/57/600051957.db2.gz ZTEWVCZVQQCSTA-UHFFFAOYSA-N -1 0 337.419 3.651 20 0 EHADRM CC(C)[C@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1F)C(=O)[O-] ZINC000236772246 600058965 /nfs/dbraw/zinc/05/89/65/600058965.db2.gz KSFJCKKGDBKAFN-INIZCTEOSA-N -1 0 349.789 3.985 20 0 EHADRM Cc1ccc(NC(=O)c2cnc(-c3ccco3)s2)c(C(=O)[O-])c1 ZINC000542518012 600062140 /nfs/dbraw/zinc/06/21/40/600062140.db2.gz RTRBWUOKEJKMTO-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM CC/C(=C/C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000736834818 600063000 /nfs/dbraw/zinc/06/30/00/600063000.db2.gz JVNQQXWYSDFALK-RXXLQFRUSA-N -1 0 341.382 3.951 20 0 EHADRM Cc1cccc(C[C@@H](CNC(=O)c2sccc2C(C)C)C(=O)[O-])c1 ZINC000236813666 600063986 /nfs/dbraw/zinc/06/39/86/600063986.db2.gz FDBSMKBEAMTFAT-HNNXBMFYSA-N -1 0 345.464 3.853 20 0 EHADRM Cc1ccccc1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000237681453 600067451 /nfs/dbraw/zinc/06/74/51/600067451.db2.gz XAEMLRQJQSALBS-UHFFFAOYSA-N -1 0 329.421 3.955 20 0 EHADRM CC[C@@H](C(=O)NC[C@H](Cc1cccc(C)c1)C(=O)[O-])c1ccccc1 ZINC000236969286 600069247 /nfs/dbraw/zinc/06/92/47/600069247.db2.gz AWLGJKCEEZLSTN-RBUKOAKNSA-N -1 0 339.435 3.548 20 0 EHADRM Cc1ccccc1-c1nc(C(=O)OCc2ccc(C(=O)[O-])o2)cs1 ZINC000738756332 600070906 /nfs/dbraw/zinc/07/09/06/600070906.db2.gz KAFVITHGMKWBLQ-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM CCCc1c(C(=O)N[C@H]2CCc3ccc(F)cc32)[nH]c(C)c1C(=O)[O-] ZINC000737039414 600075740 /nfs/dbraw/zinc/07/57/40/600075740.db2.gz BZBNKXMYORMPLB-HNNXBMFYSA-N -1 0 344.386 3.530 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N(Cc1ccccc1)CC(C)(C)C ZINC000736412958 600076653 /nfs/dbraw/zinc/07/66/53/600076653.db2.gz ASMGYBWVVFCMMR-INIZCTEOSA-N -1 0 334.460 3.744 20 0 EHADRM Cc1cc(Sc2ccccc2)ccc1NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000738482978 600076874 /nfs/dbraw/zinc/07/68/74/600076874.db2.gz SXZXWBJFPHSKRS-LSDHHAIUSA-N -1 0 327.405 3.805 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(CCCOc1ccc(Cl)cc1)C2 ZINC000321812767 600080510 /nfs/dbraw/zinc/08/05/10/600080510.db2.gz ZJEKUZOUUHXCRK-UHFFFAOYSA-N -1 0 331.799 3.823 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(Cc1ncc(-c3ccc(F)cc3)o1)C2 ZINC000326889394 600083508 /nfs/dbraw/zinc/08/35/08/600083508.db2.gz FWRCJQNPVDLJHF-UHFFFAOYSA-N -1 0 338.338 3.695 20 0 EHADRM Cc1ccccc1N(C(C)C)S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000738778235 600084455 /nfs/dbraw/zinc/08/44/55/600084455.db2.gz ORFQZJKAWXKFNC-UHFFFAOYSA-N -1 0 347.436 3.605 20 0 EHADRM COc1ccccc1C1(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)CC1 ZINC000738122433 600086323 /nfs/dbraw/zinc/08/63/23/600086323.db2.gz ZZMMURBAICZOBF-UHFFFAOYSA-N -1 0 344.342 3.595 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2cccc3ncccc32)ccc1F ZINC000740012673 600088746 /nfs/dbraw/zinc/08/87/46/600088746.db2.gz RJCJRNLMICVDDB-UHFFFAOYSA-N -1 0 325.299 3.716 20 0 EHADRM C[C@H](COc1cccc(F)c1)OC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736617292 600101819 /nfs/dbraw/zinc/10/18/19/600101819.db2.gz WITNTONSUIDWMQ-LLVKDONJSA-N -1 0 333.315 3.540 20 0 EHADRM O=C([O-])c1ccc(-c2nc(Cc3cccc4cccnc43)no2)cc1 ZINC000740096413 600108169 /nfs/dbraw/zinc/10/81/69/600108169.db2.gz AIHOMXFYHFIBGY-UHFFFAOYSA-N -1 0 331.331 3.574 20 0 EHADRM O=C([O-])[C@H]1C[C@@H]1c1nc(-c2ccc(COc3ccccc3)cc2)no1 ZINC000739560008 600109077 /nfs/dbraw/zinc/10/90/77/600109077.db2.gz KXBMIAVDLKMWSG-HOTGVXAUSA-N -1 0 336.347 3.504 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000321790177 600111199 /nfs/dbraw/zinc/11/11/99/600111199.db2.gz UYPAWEUXDRQRJL-UHFFFAOYSA-N -1 0 330.771 3.894 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)C1(c2ccccc2)CCC1 ZINC000740079355 600112538 /nfs/dbraw/zinc/11/25/38/600112538.db2.gz QCBIXZTUWMIAGW-UHFFFAOYSA-N -1 0 328.339 3.689 20 0 EHADRM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 ZINC000485653630 600112988 /nfs/dbraw/zinc/11/29/88/600112988.db2.gz JAYCKCKLLBYXJM-GJZGRUSLSA-N -1 0 345.782 3.578 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)c1ccc(-c2cnco2)cc1 ZINC000740291645 600116186 /nfs/dbraw/zinc/11/61/86/600116186.db2.gz VENMWAMGWHLOLN-UHFFFAOYSA-N -1 0 341.294 3.536 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)C[C@@H](C)c1ccccc1 ZINC000736185322 600124767 /nfs/dbraw/zinc/12/47/67/600124767.db2.gz BHKFVGCCTXWSTL-GFCCVEGCSA-N -1 0 326.348 3.687 20 0 EHADRM CCC(CC)(NC(=O)NCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000736894485 600125022 /nfs/dbraw/zinc/12/50/22/600125022.db2.gz OHILRFPAKLBZCZ-UHFFFAOYSA-N -1 0 326.824 3.519 20 0 EHADRM Cc1cc(COc2ccccc2OCC(F)(F)F)oc1C(=O)[O-] ZINC000738395804 600126287 /nfs/dbraw/zinc/12/62/87/600126287.db2.gz XVASYHCOKCEFMC-UHFFFAOYSA-N -1 0 330.258 3.806 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(-c2ccccc2)[nH]1)c1cccs1 ZINC000675950786 600126354 /nfs/dbraw/zinc/12/63/54/600126354.db2.gz KMXCBDREOVSFPU-OAHLLOKOSA-N -1 0 340.404 3.689 20 0 EHADRM Cc1ccc(NC(=O)CNc2ccc(F)c(NC(=O)[O-])c2)c(C)c1 ZINC000738626674 600127507 /nfs/dbraw/zinc/12/75/07/600127507.db2.gz UMGWNVXMKAYTKO-UHFFFAOYSA-N -1 0 331.347 3.583 20 0 EHADRM CC[C@](NC(=O)CSc1ccccc1C)(C(=O)[O-])c1ccccc1 ZINC000485379630 600127793 /nfs/dbraw/zinc/12/77/93/600127793.db2.gz UFAWWLLSNCEQJL-LJQANCHMSA-N -1 0 343.448 3.593 20 0 EHADRM Cc1ccc(OC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c(C(=O)[O-])c1 ZINC000738642190 600132788 /nfs/dbraw/zinc/13/27/88/600132788.db2.gz ZFOLPIGGFJVFMA-QWRGUYRKSA-N -1 0 330.302 3.967 20 0 EHADRM CSc1ccsc1C(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000738209889 600140945 /nfs/dbraw/zinc/14/09/45/600140945.db2.gz NZOAULKYTXLDBX-UHFFFAOYSA-N -1 0 339.463 3.971 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCc1cc(-c2ccccc2)on1 ZINC000013420396 600141212 /nfs/dbraw/zinc/14/12/12/600141212.db2.gz VVDJJTFIRMOQPX-UHFFFAOYSA-N -1 0 325.320 3.627 20 0 EHADRM O=C([O-])C1(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)CCCC1 ZINC000237953802 600141423 /nfs/dbraw/zinc/14/14/23/600141423.db2.gz LHYNIDYLYMXWBK-RYUDHWBXSA-N -1 0 342.222 3.611 20 0 EHADRM Cc1cc(C)c(C)c(OCCC(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC000738355377 600143903 /nfs/dbraw/zinc/14/39/03/600143903.db2.gz HTOXNUSVHVWQCD-UHFFFAOYSA-N -1 0 345.370 3.857 20 0 EHADRM O=C([O-])c1coc(C(=O)CSc2ccccc2Br)c1 ZINC000740258797 600147510 /nfs/dbraw/zinc/14/75/10/600147510.db2.gz RYEPSYPUUWNXAM-UHFFFAOYSA-N -1 0 341.182 3.715 20 0 EHADRM O=C([O-])c1coc(C(=O)CSc2ncc(-c3ccc(F)cc3)o2)c1 ZINC000740258108 600147667 /nfs/dbraw/zinc/14/76/67/600147667.db2.gz LRIJIHZWHAWHDK-UHFFFAOYSA-N -1 0 347.323 3.747 20 0 EHADRM Cc1ccc([C@H](CNC(=O)c2cc3c(s2)CCCC3)C(=O)[O-])cc1 ZINC000486380048 600155215 /nfs/dbraw/zinc/15/52/15/600155215.db2.gz LJUGADCYTXPAGX-HNNXBMFYSA-N -1 0 343.448 3.534 20 0 EHADRM Cc1cc(CNc2ccnn2[C@H](C)C2CC2)cc(C)c1OCC(=O)[O-] ZINC000738392651 600155924 /nfs/dbraw/zinc/15/59/24/600155924.db2.gz OUWDJPGGVNAACD-CQSZACIVSA-N -1 0 343.427 3.546 20 0 EHADRM CC(C)Oc1ccc(F)cc1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736494173 600156125 /nfs/dbraw/zinc/15/61/25/600156125.db2.gz JFRXTNMTHAKIBP-UHFFFAOYSA-N -1 0 346.358 3.633 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)c2occc2-c2ccccc2)C(=O)[O-])cc1 ZINC000486384539 600156506 /nfs/dbraw/zinc/15/65/06/600156506.db2.gz XPGQVYYKRHFCNA-GOSISDBHSA-N -1 0 349.386 3.853 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N(C)C[C@@H](C)c1ccccc1 ZINC000738529062 600157508 /nfs/dbraw/zinc/15/75/08/600157508.db2.gz TUKWWUIUIXPWFO-CQSZACIVSA-N -1 0 326.396 3.961 20 0 EHADRM CC(C)(NC(=O)[O-])C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000736336193 600157991 /nfs/dbraw/zinc/15/79/91/600157991.db2.gz DTVZDXQLPRLRPD-UHFFFAOYSA-N -1 0 349.774 3.512 20 0 EHADRM C[C@H]1CCC[C@H](OCc2cccc(NC(=O)C(C)(C)NC(=O)[O-])c2)C1 ZINC000736783771 600158804 /nfs/dbraw/zinc/15/88/04/600158804.db2.gz ZBZNLFOCTKQDJJ-BBRMVZONSA-N -1 0 348.443 3.767 20 0 EHADRM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1 ZINC000739549152 600161048 /nfs/dbraw/zinc/16/10/48/600161048.db2.gz SCOKPEVKUDFQJU-KGLIPLIRSA-N -1 0 344.798 3.611 20 0 EHADRM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1 ZINC000739549149 600161086 /nfs/dbraw/zinc/16/10/86/600161086.db2.gz SCOKPEVKUDFQJU-KBPBESRZSA-N -1 0 344.798 3.611 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)c2ccc(-n3cccc3)c(F)c2)cc1 ZINC000740026206 600162716 /nfs/dbraw/zinc/16/27/16/600162716.db2.gz LVFKIBVXGAZIDM-UHFFFAOYSA-N -1 0 340.310 3.926 20 0 EHADRM Cc1ccc([C@H](CNC(=O)/C=C/c2ccc(Cl)s2)C(=O)[O-])cc1 ZINC000738552995 600164328 /nfs/dbraw/zinc/16/43/28/600164328.db2.gz DOASEQSNNHLFOZ-KGXGESDWSA-N -1 0 349.839 3.708 20 0 EHADRM O=C([O-])c1sc(N2CC[C@H](c3ccccc3F)C2)nc1Cl ZINC000740278974 600167809 /nfs/dbraw/zinc/16/78/09/600167809.db2.gz LXWMZZVWGQGWDE-QMMMGPOBSA-N -1 0 326.780 3.628 20 0 EHADRM Cc1cccc(OCCCC(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC000324778797 600168040 /nfs/dbraw/zinc/16/80/40/600168040.db2.gz HAPHGNRYIWIBJY-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM CN(CCc1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000737447646 600178088 /nfs/dbraw/zinc/17/80/88/600178088.db2.gz DDENEVICLBYWFG-UHFFFAOYSA-N -1 0 332.787 3.745 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000736764485 600179285 /nfs/dbraw/zinc/17/92/85/600179285.db2.gz WZLVRPINHHTMHI-SWLSCSKDSA-N -1 0 342.370 3.934 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000736759076 600181919 /nfs/dbraw/zinc/18/19/19/600181919.db2.gz GZGFXLYFVGOBTN-RHSMWYFYSA-N -1 0 338.407 3.724 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000247208376 600194153 /nfs/dbraw/zinc/19/41/53/600194153.db2.gz VOFCPXUVWCQRAL-QGTPRVQTSA-N -1 0 338.407 3.540 20 0 EHADRM COc1ccc(NC(=O)[C@@H](C)CSc2ccccc2)c(C(=O)[O-])c1 ZINC000738026863 600195912 /nfs/dbraw/zinc/19/59/12/600195912.db2.gz RTBBZPWUNSHTKG-LBPRGKRZSA-N -1 0 345.420 3.760 20 0 EHADRM Cc1ccc(-c2cc(C(=O)Nc3ccc(C(=O)[O-])cc3F)on2)cc1 ZINC000479481776 600201431 /nfs/dbraw/zinc/20/14/31/600201431.db2.gz AREPCZLCIXCMQD-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000120214398 600205199 /nfs/dbraw/zinc/20/51/99/600205199.db2.gz WAQZYCKUUBVYSE-NWDGAFQWSA-N -1 0 331.318 3.714 20 0 EHADRM C[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1cccs1)c1cccc(F)c1 ZINC000237535241 600206100 /nfs/dbraw/zinc/20/61/00/600206100.db2.gz OPELEIAWTXGIJI-SMDDNHRTSA-N -1 0 335.400 3.713 20 0 EHADRM Cc1ccc(C)c(NC(=O)CNc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000738573790 600207143 /nfs/dbraw/zinc/20/71/43/600207143.db2.gz KLUGVJYMGYTDLD-UHFFFAOYSA-N -1 0 332.787 3.706 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)ccc1C(=O)[O-] ZINC000237814992 600208003 /nfs/dbraw/zinc/20/80/03/600208003.db2.gz YFJZBSWOJJTCBV-CHWSQXEVSA-N -1 0 331.318 3.714 20 0 EHADRM Cc1cc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)ccc1C(=O)[O-] ZINC000237821464 600208040 /nfs/dbraw/zinc/20/80/40/600208040.db2.gz YFJZBSWOJJTCBV-STQMWFEESA-N -1 0 331.318 3.714 20 0 EHADRM CC(C)c1cccc(NC(=O)CN(C)[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000736520260 600214522 /nfs/dbraw/zinc/21/45/22/600214522.db2.gz BEYXTIBDBQUHGR-IBGZPJMESA-N -1 0 340.423 3.506 20 0 EHADRM CC(C)n1ccc(C(=O)OCc2c3ccccc3sc2C(=O)[O-])n1 ZINC000736531546 600216045 /nfs/dbraw/zinc/21/60/45/600216045.db2.gz FCDYBLGJOAKIOX-UHFFFAOYSA-N -1 0 344.392 3.734 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)C2(c3ccccc3)CCCC2)c2ccccc21 ZINC000393124269 600224660 /nfs/dbraw/zinc/22/46/60/600224660.db2.gz SUUSAXHQFDQYTO-KRWDZBQOSA-N -1 0 335.403 3.713 20 0 EHADRM COc1ccc2c(c1)CCCN2C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000738074955 600226722 /nfs/dbraw/zinc/22/67/22/600226722.db2.gz VAVFYHFKALYAMK-UHFFFAOYSA-N -1 0 341.367 3.770 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000327120962 600227421 /nfs/dbraw/zinc/22/74/21/600227421.db2.gz DXRZALWMNJLQBJ-CYBMUJFWSA-N -1 0 339.322 3.709 20 0 EHADRM Cc1ccc(C[C@H]2CCCN2C(=O)NCCCCCCC(=O)[O-])cc1 ZINC000738589031 600236133 /nfs/dbraw/zinc/23/61/33/600236133.db2.gz LHCLHWRHZATDGW-GOSISDBHSA-N -1 0 346.471 3.747 20 0 EHADRM C[C@H](OC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)c1ccc(C(=O)[O-])o1 ZINC000736685821 600238338 /nfs/dbraw/zinc/23/83/38/600238338.db2.gz RFICHMWHIOXMST-IVZWLZJFSA-N -1 0 336.290 3.664 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@@H](C)CSc2ccccc2)cc1C(=O)[O-] ZINC000362749266 600241274 /nfs/dbraw/zinc/24/12/74/600241274.db2.gz WNVOPDYLLCUJGS-LBPRGKRZSA-N -1 0 347.436 3.673 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)[C@@H](C)CSc1ccccc1 ZINC000738085603 600249164 /nfs/dbraw/zinc/24/91/64/600249164.db2.gz QFWZXWHGDUAQAN-LBPRGKRZSA-N -1 0 346.404 3.727 20 0 EHADRM Cc1cc(F)cc2[nH]c(C(=O)N[C@@H](CC(=O)[O-])c3ccccc3)cc21 ZINC000237663882 600254357 /nfs/dbraw/zinc/25/43/57/600254357.db2.gz ASSSZTVOEXZWNZ-HNNXBMFYSA-N -1 0 340.354 3.561 20 0 EHADRM Cc1cc(F)cc2[nH]c(C(=O)Oc3ccc(NC(=O)[O-])cc3)cc21 ZINC000738230236 600255313 /nfs/dbraw/zinc/25/53/13/600255313.db2.gz QSPUOBRJHWFPNC-UHFFFAOYSA-N -1 0 328.299 3.925 20 0 EHADRM CCCN(CC)c1ccc(C(=O)Nc2cc(C)[nH]c2C(=O)[O-])cc1 ZINC000737019925 600256358 /nfs/dbraw/zinc/25/63/58/600256358.db2.gz PLLNRUCFVQFJOU-UHFFFAOYSA-N -1 0 329.400 3.510 20 0 EHADRM CC(C)(C)/C=C/C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000736251000 600257920 /nfs/dbraw/zinc/25/79/20/600257920.db2.gz PDAMJFIAXQSNTC-FLVLSHQESA-N -1 0 339.435 3.802 20 0 EHADRM CC(C)(CCCc1ccccc1)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000262486133 600266540 /nfs/dbraw/zinc/26/65/40/600266540.db2.gz VMMCJXVFJLRMKM-KRWDZBQOSA-N -1 0 343.467 3.749 20 0 EHADRM CC(C)COc1ccc(NC(=O)Nc2cccc(NC(=O)[O-])c2)cn1 ZINC000736447474 600269758 /nfs/dbraw/zinc/26/97/58/600269758.db2.gz ASWKZHYERHRVSX-UHFFFAOYSA-N -1 0 344.371 3.850 20 0 EHADRM CC(C)[C@H](CC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccccc1 ZINC000262477639 600272483 /nfs/dbraw/zinc/27/24/83/600272483.db2.gz TWYLVPVVLDOEMJ-IRXDYDNUSA-N -1 0 329.440 3.530 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)cc1 ZINC000738683592 600275764 /nfs/dbraw/zinc/27/57/64/600275764.db2.gz PGQNVVMHRILMBZ-AWEZNQCLSA-N -1 0 342.370 3.620 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@H](Cc2ccccc2)C2CC2)ccc1F ZINC000739470047 600276814 /nfs/dbraw/zinc/27/68/14/600276814.db2.gz AGLHZHPNUGVMFK-QGZVFWFLSA-N -1 0 342.370 3.667 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2cc3cc(F)ccc3s2)c2ccccc21 ZINC000177482164 600279870 /nfs/dbraw/zinc/27/98/70/600279870.db2.gz FJAOLVFTEIOOCY-ZDUSSCGKSA-N -1 0 341.363 3.869 20 0 EHADRM C[C@@H](CCc1ccco1)NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000322623094 600280279 /nfs/dbraw/zinc/28/02/79/600280279.db2.gz SLRFMWNEGCQWJA-JTQLQIEISA-N -1 0 336.775 3.774 20 0 EHADRM C[C@H](c1nc2ccccc2n1C(F)F)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000574644927 600287972 /nfs/dbraw/zinc/28/79/72/600287972.db2.gz YUWGKIGULLBFSK-VXGBXAGGSA-N -1 0 349.381 3.679 20 0 EHADRM CC(C)N(Cc1ccccn1)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000736472329 600288124 /nfs/dbraw/zinc/28/81/24/600288124.db2.gz TXJBXFSKKHCLQV-UHFFFAOYSA-N -1 0 347.802 3.876 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736617383 600291777 /nfs/dbraw/zinc/29/17/77/600291777.db2.gz FGMDIPKEXCKUKY-ZDUSSCGKSA-N -1 0 344.436 3.821 20 0 EHADRM O=C([O-])C1CCC(NC(=O)N2CCCCC[C@H]2c2ccco2)CC1 ZINC000263490081 600293864 /nfs/dbraw/zinc/29/38/64/600293864.db2.gz QWBVSDMGLDYCGV-NRXISQOPSA-N -1 0 334.416 3.550 20 0 EHADRM Cc1cc2nc(Nc3ccc(CNC(=O)[O-])cc3)c3ccccc3n2n1 ZINC000738487244 600313850 /nfs/dbraw/zinc/31/38/50/600313850.db2.gz TZUZCCLOEUCMJX-UHFFFAOYSA-N -1 0 347.378 3.702 20 0 EHADRM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000568064514 600320675 /nfs/dbraw/zinc/32/06/75/600320675.db2.gz GYTZRKYTHBELEO-ZETCQYMHSA-N -1 0 345.239 3.856 20 0 EHADRM COc1ccccc1CCC(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000738125431 600321300 /nfs/dbraw/zinc/32/13/00/600321300.db2.gz BRIDOBRUVCXTNX-KRWDZBQOSA-N -1 0 348.782 3.650 20 0 EHADRM CCOc1cccc(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000737210828 600326448 /nfs/dbraw/zinc/32/64/48/600326448.db2.gz LFVUSTDECCLYIL-HNNXBMFYSA-N -1 0 334.755 3.721 20 0 EHADRM C[C@@H](Cc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000736625155 600329376 /nfs/dbraw/zinc/32/93/76/600329376.db2.gz CTFCRYGVQLPYAV-LRDDRELGSA-N -1 0 332.783 3.888 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cnc(C2CC2)s1)c1cccc(Cl)c1 ZINC000740300211 600330450 /nfs/dbraw/zinc/33/04/50/600330450.db2.gz STOAODHZEXXUAM-LBPRGKRZSA-N -1 0 337.784 3.657 20 0 EHADRM Cc1cc(C)c(NC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c(Cl)c1 ZINC000738359471 600333882 /nfs/dbraw/zinc/33/38/82/600333882.db2.gz TUKYJTOYDJCGOO-GFCCVEGCSA-N -1 0 336.819 3.675 20 0 EHADRM CCSc1cccc(NC(=O)Nc2cccc(OCC(=O)[O-])c2)c1 ZINC000737228627 600335611 /nfs/dbraw/zinc/33/56/11/600335611.db2.gz CFCVDQOKAWGYBL-UHFFFAOYSA-N -1 0 346.408 3.906 20 0 EHADRM C[C@H]1CCC[C@@H](N(C)C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C1 ZINC000736773550 600340417 /nfs/dbraw/zinc/34/04/17/600340417.db2.gz BGMZWGXDZQFSKU-XJKSGUPXSA-N -1 0 333.432 3.839 20 0 EHADRM Cc1ccc(CN(C)C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cc1 ZINC000738594882 600342396 /nfs/dbraw/zinc/34/23/96/600342396.db2.gz WTZVDUWDPJANFC-UHFFFAOYSA-N -1 0 341.411 3.769 20 0 EHADRM O=C([O-])Nc1cccc(N[C@H]2CCN(c3ccccc3Cl)C2=O)c1 ZINC000740041095 600350713 /nfs/dbraw/zinc/35/07/13/600350713.db2.gz OGHOVDDZPXPKBS-AWEZNQCLSA-N -1 0 345.786 3.647 20 0 EHADRM CCCC1CCC(NC(=O)Nc2ccc(CNC(=O)[O-])cc2)CC1 ZINC000736976264 600351101 /nfs/dbraw/zinc/35/11/01/600351101.db2.gz YAKHHJAAWYDJPZ-UHFFFAOYSA-N -1 0 333.432 3.935 20 0 EHADRM C[C@@H]1c2ccccc2CCN1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736839852 600351186 /nfs/dbraw/zinc/35/11/86/600351186.db2.gz GRQPNCHBDRCMSD-CYBMUJFWSA-N -1 0 339.395 3.605 20 0 EHADRM CCCN(Cc1ccccc1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737020935 600352669 /nfs/dbraw/zinc/35/26/69/600352669.db2.gz OAHQGMDRQIDPHS-UHFFFAOYSA-N -1 0 341.411 3.898 20 0 EHADRM Cc1ccccc1C[C@H](C)NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000738770326 600353750 /nfs/dbraw/zinc/35/37/50/600353750.db2.gz ZKVVANQAMUDBLG-AWEZNQCLSA-N -1 0 341.411 3.515 20 0 EHADRM CC(C)[C@H]1CCC[C@@H](NC(=O)Nc2ccc(CNC(=O)[O-])cc2)C1 ZINC000736393766 600357611 /nfs/dbraw/zinc/35/76/11/600357611.db2.gz ADPPWWDLQZVFSL-GOEBONIOSA-N -1 0 333.432 3.791 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1C ZINC000738550546 600357973 /nfs/dbraw/zinc/35/79/73/600357973.db2.gz GDLRNILKWRQBLT-CQSZACIVSA-N -1 0 341.411 3.954 20 0 EHADRM O=C([O-])Nc1ccc(CCNc2cccc(C(F)(F)F)n2)cc1 ZINC000740024625 600364831 /nfs/dbraw/zinc/36/48/31/600364831.db2.gz IEAPPWSWICALFN-UHFFFAOYSA-N -1 0 325.290 3.845 20 0 EHADRM Cc1cc(NC(=O)CCOc2ccc(C)c(C)c2)sc1C(=O)[O-] ZINC000320671232 600369360 /nfs/dbraw/zinc/36/93/60/600369360.db2.gz NEBBJLRZLWRWQO-UHFFFAOYSA-N -1 0 333.409 3.779 20 0 EHADRM Cc1cc(NC(=O)c2ccc(N3CCC(C)=N3)cc2)sc1C(=O)[O-] ZINC000736745953 600369429 /nfs/dbraw/zinc/36/94/29/600369429.db2.gz GKKMBSZCXBQFOZ-UHFFFAOYSA-N -1 0 343.408 3.593 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)Nc2cc(C)c(C(=O)[O-])s2)s1 ZINC000738241310 600370653 /nfs/dbraw/zinc/37/06/53/600370653.db2.gz WUSCDXNWVBWPKG-UHFFFAOYSA-N -1 0 347.364 3.978 20 0 EHADRM Cc1cc(NC(=O)c2ccc(-n3cccc3)c(F)c2)sc1C(=O)[O-] ZINC000738449658 600371285 /nfs/dbraw/zinc/37/12/85/600371285.db2.gz YFPTVBCOFNHXHI-UHFFFAOYSA-N -1 0 344.367 3.937 20 0 EHADRM Cc1cc(NC(=O)c2ncoc2-c2ccccc2)sc1C(=O)[O-] ZINC000738238829 600371962 /nfs/dbraw/zinc/37/19/62/600371962.db2.gz DTJUGUIIPHGLOM-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM C[C@H](C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1)c1cccs1 ZINC000736218853 600373361 /nfs/dbraw/zinc/37/33/61/600373361.db2.gz DAULJJYETYGONJ-QMMMGPOBSA-N -1 0 347.421 3.640 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)[C@@H](C)c1ccsc1 ZINC000737871330 600374373 /nfs/dbraw/zinc/37/43/73/600374373.db2.gz KDLUHDVIQKCKSD-QZPNVGJNSA-N -1 0 332.377 3.564 20 0 EHADRM CC(C)(C)CCC(=O)N[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000262441421 600376814 /nfs/dbraw/zinc/37/68/14/600376814.db2.gz PUUPRGXIEILZMQ-CYBMUJFWSA-N -1 0 342.233 3.517 20 0 EHADRM Cn1c(S[C@H](C(=O)[O-])c2cccc(Cl)c2)nnc1-c1ccco1 ZINC000739013637 600378377 /nfs/dbraw/zinc/37/83/77/600378377.db2.gz FRDMSDHTDWSURE-LBPRGKRZSA-N -1 0 349.799 3.647 20 0 EHADRM O=C([O-])[C@@H](Sc1nncn1-c1ccccc1)c1cccc(Cl)c1 ZINC000739513281 600378406 /nfs/dbraw/zinc/37/84/06/600378406.db2.gz RZLIALAVLGREGV-AWEZNQCLSA-N -1 0 345.811 3.839 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@@H]1Cc2ccccc2S1)c1ccccc1 ZINC000736850196 600378942 /nfs/dbraw/zinc/37/89/42/600378942.db2.gz VANLXTMZUCHVMX-WBVHZDCISA-N -1 0 341.432 3.600 20 0 EHADRM CCOc1ccc(CC(=O)N(c2ccccc2)[C@H](CC)C(=O)[O-])cc1 ZINC000737198663 600379819 /nfs/dbraw/zinc/37/98/19/600379819.db2.gz DVVSNPICHKLEEJ-GOSISDBHSA-N -1 0 341.407 3.524 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)s1 ZINC000238030262 600380696 /nfs/dbraw/zinc/38/06/96/600380696.db2.gz DDOVJVNLASYRPG-UONOGXRCSA-N -1 0 329.421 3.588 20 0 EHADRM CN(C(=O)/C=C\c1ccnc2ccccc12)c1ccccc1C(=O)[O-] ZINC000737313619 600381426 /nfs/dbraw/zinc/38/14/26/600381426.db2.gz LPGAHIOLOXELIM-KHPPLWFESA-N -1 0 332.359 3.609 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)/C=C\c1ccnc2ccccc12 ZINC000740188181 600381685 /nfs/dbraw/zinc/38/16/85/600381685.db2.gz HRNNXVHDBOVDES-VURMDHGXSA-N -1 0 344.370 3.536 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)/C=C/C1CCCCC1)C(=O)[O-] ZINC000736585043 600382386 /nfs/dbraw/zinc/38/23/86/600382386.db2.gz RJNWZSDPLMLYEN-CJTWTEFWSA-N -1 0 329.440 3.872 20 0 EHADRM CCOc1cccc(C(=O)N(c2ccccc2)[C@H](CC)C(=O)[O-])c1 ZINC000737209744 600384015 /nfs/dbraw/zinc/38/40/15/600384015.db2.gz FKSGDXMUQSOSQE-QGZVFWFLSA-N -1 0 327.380 3.595 20 0 EHADRM Cc1cc(C(=O)[O-])c2sc(NC(=O)/C=C/C3CCCCC3)nc2n1 ZINC000738343698 600384217 /nfs/dbraw/zinc/38/42/17/600384217.db2.gz UNCMWMXDAFQRRJ-BQYQJAHWSA-N -1 0 345.424 3.773 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@@H](C)Cc1cccc(F)c1)c1ccccc1 ZINC000736845346 600385393 /nfs/dbraw/zinc/38/53/93/600385393.db2.gz BCJGQJLBUPEGNV-KBXCAEBGSA-N -1 0 343.398 3.901 20 0 EHADRM COc1ccc([C@@H](C)N(C)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000737950613 600385785 /nfs/dbraw/zinc/38/57/85/600385785.db2.gz SCAIEQHRMDYHHM-LLVKDONJSA-N -1 0 346.358 3.757 20 0 EHADRM CCc1ccc([C@H](C)NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000737258483 600386512 /nfs/dbraw/zinc/38/65/12/600386512.db2.gz FGMYPZCSCHFQBJ-NSHDSACASA-N -1 0 330.359 3.969 20 0 EHADRM Cc1cccc2c1CC[C@H]2NC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000738747015 600390179 /nfs/dbraw/zinc/39/01/79/600390179.db2.gz CTCDJUFIPNGJFQ-MRXNPFEDSA-N -1 0 328.343 3.641 20 0 EHADRM CCc1nc([C@@H](C)NC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)cs1 ZINC000737276678 600392801 /nfs/dbraw/zinc/39/28/01/600392801.db2.gz MQWMEHCJBUZYNL-SNVBAGLBSA-N -1 0 348.428 3.702 20 0 EHADRM CC[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000736905468 600394711 /nfs/dbraw/zinc/39/47/11/600394711.db2.gz SEDMOGQJXWIMKP-LBPRGKRZSA-N -1 0 330.359 3.839 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)Nc2ccc(C(=O)[O-])cc2F)c(C)c1 ZINC000738589789 600396636 /nfs/dbraw/zinc/39/66/36/600396636.db2.gz XKOOMMXEAYHZES-ZDUSSCGKSA-N -1 0 344.386 3.893 20 0 EHADRM C[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000321429714 600398348 /nfs/dbraw/zinc/39/83/48/600398348.db2.gz UHMUMNSIGWMGRZ-SECBINFHSA-N -1 0 334.372 3.737 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NC2(c3ccccc3)CCC2)c(F)c1 ZINC000739466326 600400226 /nfs/dbraw/zinc/40/02/26/600400226.db2.gz BOOJLACRNFZWEX-UHFFFAOYSA-N -1 0 328.343 3.725 20 0 EHADRM CC[C@@H]1CCCCN1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736942189 600407309 /nfs/dbraw/zinc/40/73/09/600407309.db2.gz RARZGQJPAXFRQR-LLVKDONJSA-N -1 0 342.342 3.783 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC000738194590 600431803 /nfs/dbraw/zinc/43/18/03/600431803.db2.gz HEOJJKUPXBFRRW-UHFFFAOYSA-N -1 0 342.376 3.641 20 0 EHADRM CCO[C@H]1CCCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000652395034 600434506 /nfs/dbraw/zinc/43/45/06/600434506.db2.gz XJEZYWFIFDPLRE-INIZCTEOSA-N -1 0 346.452 3.509 20 0 EHADRM O=C([O-])[C@H](OC(=O)/C=C/Sc1ccccc1)c1ccc(F)cc1 ZINC000739215751 600446941 /nfs/dbraw/zinc/44/69/41/600446941.db2.gz LFIBNGPXUNRTOU-SIFUEBAJSA-N -1 0 332.352 3.801 20 0 EHADRM Cc1[nH]c2ccccc2c1CC(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738247094 600450006 /nfs/dbraw/zinc/45/00/06/600450006.db2.gz SAIILZVGRHUANT-SFHVURJKSA-N -1 0 341.338 3.527 20 0 EHADRM CCCOc1cccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000737035103 600451671 /nfs/dbraw/zinc/45/16/71/600451671.db2.gz WBKGGTZOHLCZRR-MRXNPFEDSA-N -1 0 332.327 3.597 20 0 EHADRM O=C([O-])c1cc(NC(=O)NCc2coc3ccccc23)ccc1F ZINC000739450269 600455934 /nfs/dbraw/zinc/45/59/34/600455934.db2.gz HYUFBGBUTOZQEK-UHFFFAOYSA-N -1 0 328.299 3.592 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)NCCCC2CCCC2)cc1 ZINC000740016868 600456271 /nfs/dbraw/zinc/45/62/71/600456271.db2.gz BHNZZZPWKMZVPX-UHFFFAOYSA-N -1 0 333.432 3.589 20 0 EHADRM CCC[C@@H]1CCCC[C@H]1NC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736972763 600459101 /nfs/dbraw/zinc/45/91/01/600459101.db2.gz GKDHLVRNABAZAY-NVXWUHKLSA-N -1 0 347.459 3.977 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N[C@H]2CSc3ccccc32)cc1 ZINC000739758485 600465414 /nfs/dbraw/zinc/46/54/14/600465414.db2.gz FVIUTIDBVJBCDX-HNNXBMFYSA-N -1 0 342.420 3.672 20 0 EHADRM O=C([O-])c1ccc(CNC(=S)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000740130855 600467944 /nfs/dbraw/zinc/46/79/44/600467944.db2.gz VDQZNBUJJZTSNZ-UHFFFAOYSA-N -1 0 345.207 3.771 20 0 EHADRM C[C@@H]1CCCC[C@@H]1NC(=S)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000736782930 600473626 /nfs/dbraw/zinc/47/36/26/600473626.db2.gz DXTBQRDUNHIBKF-RNCFNFMXSA-N -1 0 326.849 3.903 20 0 EHADRM CC[C@H](c1ccncc1)N(C)C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000736928903 600475583 /nfs/dbraw/zinc/47/55/83/600475583.db2.gz HHHIEFVFRHCYQC-MRXNPFEDSA-N -1 0 327.384 3.703 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)Oc1ccc(C(=O)[O-])cc1OC ZINC000736904650 600476606 /nfs/dbraw/zinc/47/66/06/600476606.db2.gz WHGPTASMBLGILB-CQSZACIVSA-N -1 0 328.364 3.568 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2Cc3ccccc3S2)cc1Cl ZINC000314601588 600476958 /nfs/dbraw/zinc/47/69/58/600476958.db2.gz CXOMKJOPZBVPCJ-CQSZACIVSA-N -1 0 333.796 3.694 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2sc3ccccc3c2Cl)o1 ZINC000238140891 600477661 /nfs/dbraw/zinc/47/76/61/600477661.db2.gz OEKDWETUUJRWFO-UHFFFAOYSA-N -1 0 335.768 3.776 20 0 EHADRM Cc1cccc(OCCC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000237703982 600480897 /nfs/dbraw/zinc/48/08/97/600480897.db2.gz ISUDUEIODXLGFT-UHFFFAOYSA-N -1 0 333.771 3.754 20 0 EHADRM CCc1c(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)[nH]c(C)c1C(C)=O ZINC000237112637 600480907 /nfs/dbraw/zinc/48/09/07/600480907.db2.gz LZDVKVCFGYXUMC-UHFFFAOYSA-N -1 0 348.786 3.692 20 0 EHADRM CC[C@H](c1ccncc1)N(C)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000736930434 600481679 /nfs/dbraw/zinc/48/16/79/600481679.db2.gz WATNDEMXOQVOJV-QGZVFWFLSA-N -1 0 341.411 3.714 20 0 EHADRM C[C@H]1SCCN(C(=O)c2ccc(C(=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000237601740 600482048 /nfs/dbraw/zinc/48/20/48/600482048.db2.gz JJJDNFLRJIPHQG-CXAGYDPISA-N -1 0 341.432 3.704 20 0 EHADRM Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1ccc(C(=O)[O-])cn1 ZINC000738758370 600484374 /nfs/dbraw/zinc/48/43/74/600484374.db2.gz NQOZCTPLZGLBLY-QGZVFWFLSA-N -1 0 326.396 3.605 20 0 EHADRM CC(C)(CNC(=O)c1ccccc1NC(=O)[O-])c1cccc(F)c1 ZINC000736323564 600485777 /nfs/dbraw/zinc/48/57/77/600485777.db2.gz HQNHWWBZBJCIEN-UHFFFAOYSA-N -1 0 330.359 3.623 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)c2cccc(Nc3ccccc3)c2)c1 ZINC000740244843 600486414 /nfs/dbraw/zinc/48/64/14/600486414.db2.gz NMCWUIURPDYLGI-UHFFFAOYSA-N -1 0 333.347 3.776 20 0 EHADRM CSc1ccc(C(=O)NCc2c3ccccc3sc2C(=O)[O-])o1 ZINC000676019295 600492015 /nfs/dbraw/zinc/49/20/15/600492015.db2.gz UTVLUTIOSGBRII-UHFFFAOYSA-N -1 0 347.417 3.844 20 0 EHADRM CC(C)CN(C(=O)NCCc1ccc(NC(=O)[O-])cc1)C1CCCC1 ZINC000736438822 600498781 /nfs/dbraw/zinc/49/87/81/600498781.db2.gz YXBQIFPTOWYOBI-UHFFFAOYSA-N -1 0 347.459 3.929 20 0 EHADRM CC(C)(CNC(=O)Nc1cccc(C(=O)[O-])c1)c1cccc(F)c1 ZINC000736322104 600501984 /nfs/dbraw/zinc/50/19/84/600501984.db2.gz OUPLORHQVQGKNA-UHFFFAOYSA-N -1 0 330.359 3.623 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000738533663 600502398 /nfs/dbraw/zinc/50/23/98/600502398.db2.gz QQTAHXFYGFBFCE-ZBFHGGJFSA-N -1 0 348.443 3.656 20 0 EHADRM COc1cccc(NC(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c1 ZINC000738105205 600504260 /nfs/dbraw/zinc/50/42/60/600504260.db2.gz ALCBNHZSCHUQSP-UHFFFAOYSA-N -1 0 344.367 3.583 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(CC(=O)[O-])cc1)c1cccc(F)c1 ZINC000736322093 600505538 /nfs/dbraw/zinc/50/55/38/600505538.db2.gz OOXLAJRPNUBKHH-UHFFFAOYSA-N -1 0 344.386 3.552 20 0 EHADRM Cc1ccccc1[C@@H](CC(C)C)NC(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738757525 600505704 /nfs/dbraw/zinc/50/57/04/600505704.db2.gz BHNICFJFLQZITM-NVXWUHKLSA-N -1 0 347.459 3.524 20 0 EHADRM Cc1c(NC(=O)NC[C@H]2CCCO[C@@H]2C(C)(C)C)cccc1C(=O)[O-] ZINC000738302632 600506035 /nfs/dbraw/zinc/50/60/35/600506035.db2.gz ALCCAXSLBOARGB-CJNGLKHVSA-N -1 0 348.443 3.656 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)cc1Cl ZINC000739464620 600508839 /nfs/dbraw/zinc/50/88/39/600508839.db2.gz HHGKIQMCOPDNFV-DZGCQCFKSA-N -1 0 348.761 3.855 20 0 EHADRM CO[C@H](CNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000737734248 600512234 /nfs/dbraw/zinc/51/22/34/600512234.db2.gz ODVSHYAERRRVEN-OAHLLOKOSA-N -1 0 348.786 3.547 20 0 EHADRM CCc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)s1 ZINC000318838300 600513538 /nfs/dbraw/zinc/51/35/38/600513538.db2.gz YRWYTKGWSPOEJI-UHFFFAOYSA-N -1 0 338.816 3.984 20 0 EHADRM C[C@H](c1ccccn1)N(C)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000736722248 600515040 /nfs/dbraw/zinc/51/50/40/600515040.db2.gz BQIQVMXPQNVWOD-SNVBAGLBSA-N -1 0 333.775 3.658 20 0 EHADRM O=C([O-])c1ccccc1OC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000739338671 600520628 /nfs/dbraw/zinc/52/06/28/600520628.db2.gz MPGUBRIQWRUBEP-UHFFFAOYSA-N -1 0 329.739 3.668 20 0 EHADRM CCN(C(=O)c1cccc(Br)c1)c1ccccc1C(=O)[O-] ZINC000737059086 600524405 /nfs/dbraw/zinc/52/44/05/600524405.db2.gz GYFUJHTXEVGMOB-UHFFFAOYSA-N -1 0 348.196 3.814 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc(C(=O)[O-])c1)c1nc2ccccc2s1 ZINC000736649131 600525861 /nfs/dbraw/zinc/52/58/61/600525861.db2.gz PNRSMKAXYISCPY-SNVBAGLBSA-N -1 0 341.392 3.877 20 0 EHADRM Cc1cccc([C@H](C)C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)c1 ZINC000738690363 600528099 /nfs/dbraw/zinc/52/80/99/600528099.db2.gz IHYCTTJFFKJTLR-AWEZNQCLSA-N -1 0 326.396 3.847 20 0 EHADRM CC[C@@H](c1ccncc1)N(CC)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000736929929 600530745 /nfs/dbraw/zinc/53/07/45/600530745.db2.gz RGIQTHVOWOYLMK-SFHVURJKSA-N -1 0 340.423 3.712 20 0 EHADRM CCN(C(=O)c1cc(C)n(-c2ccccc2)n1)c1ccccc1C(=O)[O-] ZINC000737057170 600532014 /nfs/dbraw/zinc/53/20/14/600532014.db2.gz BYJPLEAUJOMXBY-UHFFFAOYSA-N -1 0 349.390 3.546 20 0 EHADRM Cc1sc(NC(=O)CO[C@@H]2CCC[C@H](C)C2)c(C(=O)[O-])c1C ZINC000738997280 600532643 /nfs/dbraw/zinc/53/26/43/600532643.db2.gz MQJCIRKDQMOTNW-JOYOIKCWSA-N -1 0 325.430 3.597 20 0 EHADRM CC(C)[C@H](c1ccccc1)N(C)C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000659758299 600534865 /nfs/dbraw/zinc/53/48/65/600534865.db2.gz PIURFWUQOACGLN-LJQANCHMSA-N -1 0 341.407 3.619 20 0 EHADRM Cc1[nH]c(C(=O)[C@@H](C)OC(=O)C=C2CCC(C)CC2)c(C)c1C(=O)[O-] ZINC000738237694 600537529 /nfs/dbraw/zinc/53/75/29/600537529.db2.gz WUVMDQCNZXNUOK-JLOHTSLTSA-N -1 0 347.411 3.581 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000740108939 600538824 /nfs/dbraw/zinc/53/88/24/600538824.db2.gz DSOQTETZCJRYTE-MRXNPFEDSA-N -1 0 331.318 3.640 20 0 EHADRM CC(C)(Oc1cccc(Cl)c1)C(=O)OCc1cc(C(=O)[O-])co1 ZINC000736344258 600544911 /nfs/dbraw/zinc/54/49/11/600544911.db2.gz XJPLVQBWAVZUPO-UHFFFAOYSA-N -1 0 338.743 3.532 20 0 EHADRM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000736784395 600551908 /nfs/dbraw/zinc/55/19/08/600551908.db2.gz IJQSVCAPCDTOME-HZMBPMFUSA-N -1 0 325.792 3.572 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000236759618 600561841 /nfs/dbraw/zinc/56/18/41/600561841.db2.gz PSMVOAIJBQUKLE-UHFFFAOYSA-N -1 0 335.347 3.624 20 0 EHADRM CN(CCC1CCCCC1)C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC000737415047 600567543 /nfs/dbraw/zinc/56/75/43/600567543.db2.gz BWGJWMLTPRBXQJ-UHFFFAOYSA-N -1 0 344.415 3.695 20 0 EHADRM Cc1sc(NC(=O)C[C@@H]2OCCc3ccccc32)c(C(=O)[O-])c1C ZINC000738398575 600568251 /nfs/dbraw/zinc/56/82/51/600568251.db2.gz LFTHOWSVSJMCLZ-AWEZNQCLSA-N -1 0 345.420 3.706 20 0 EHADRM O=C([O-])C1(NC(=O)CCCCC(=O)c2ccccc2)CCCCCC1 ZINC000739236268 600568259 /nfs/dbraw/zinc/56/82/59/600568259.db2.gz PENRJPHBGHILHX-UHFFFAOYSA-N -1 0 345.439 3.724 20 0 EHADRM CCCN(Cc1ccc(F)cc1)C(=O)c1ccccc1NC(=O)[O-] ZINC000737020176 600569834 /nfs/dbraw/zinc/56/98/34/600569834.db2.gz SYCLHCFJBHNQDC-UHFFFAOYSA-N -1 0 330.359 3.968 20 0 EHADRM Cc1cc(COC(=O)c2ccc(C(=O)[O-])s2)c2ccccc2n1 ZINC000738394671 600572150 /nfs/dbraw/zinc/57/21/50/600572150.db2.gz JBLFGFIJNYFNMX-UHFFFAOYSA-N -1 0 327.361 3.660 20 0 EHADRM COc1ccc(NC(=O)c2ccccc2NC(=O)[O-])c2cccnc12 ZINC000738033985 600574575 /nfs/dbraw/zinc/57/45/75/600574575.db2.gz QYNOEOXTRKMCLF-UHFFFAOYSA-N -1 0 337.335 3.586 20 0 EHADRM CC(C)[C@@H](NC(=O)CCCN(C)C(=O)[O-])c1ccccc1Cl ZINC000736358304 600578938 /nfs/dbraw/zinc/57/89/38/600578938.db2.gz IPNFOQLZMZWIHW-OAHLLOKOSA-N -1 0 326.824 3.543 20 0 EHADRM C[C@@H](CC(=O)[O-])SCC(=O)N(Cc1cccc(F)c1)C(C)(C)C ZINC000736550157 600581958 /nfs/dbraw/zinc/58/19/58/600581958.db2.gz BULYSSRWDWZVFH-LBPRGKRZSA-N -1 0 341.448 3.549 20 0 EHADRM CC(C)[C@@H](S[C@@H](C)CC(=O)[O-])C(=O)Nc1ccccc1Cl ZINC000736550204 600585112 /nfs/dbraw/zinc/58/51/12/600585112.db2.gz MRJZNDPWUKZHAA-IINYFYTJSA-N -1 0 329.849 3.900 20 0 EHADRM CC[C@@H](Nc1ccccc1)C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000736924839 600589078 /nfs/dbraw/zinc/58/90/78/600589078.db2.gz PQQDJSZNNOYGRX-QZTJIDSGSA-N -1 0 340.423 3.599 20 0 EHADRM C[C@@H](CC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1)c1cccc(F)c1 ZINC000736544670 600590173 /nfs/dbraw/zinc/59/01/73/600590173.db2.gz IHVOVMJHEVEDMX-UGSOOPFHSA-N -1 0 329.371 3.604 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000738840859 600591952 /nfs/dbraw/zinc/59/19/52/600591952.db2.gz MFOKIVLGDLZODF-CYBMUJFWSA-N -1 0 346.452 3.647 20 0 EHADRM CN(C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737314755 600594334 /nfs/dbraw/zinc/59/43/34/600594334.db2.gz RSHRAHJRSMUKKR-ZACQAIPSSA-N -1 0 343.810 3.728 20 0 EHADRM C[C@@H](CC(=O)[O-])S[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000736552963 600594384 /nfs/dbraw/zinc/59/43/84/600594384.db2.gz QAWZIDLCUFQUBS-YUMQZZPRSA-N -1 0 336.240 3.917 20 0 EHADRM CCN(C(=O)CS[C@@H](C)CC(=O)[O-])c1cccc2ccccc21 ZINC000737060215 600594749 /nfs/dbraw/zinc/59/47/49/600594749.db2.gz HKSUETYHRJLUKQ-ZDUSSCGKSA-N -1 0 331.437 3.789 20 0 EHADRM CN(C(=O)/C=C\Sc1ccccc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737314676 600600025 /nfs/dbraw/zinc/60/00/25/600600025.db2.gz RDLZFPZAKBUVLG-MUSGIIIZSA-N -1 0 327.405 3.577 20 0 EHADRM C[C@H](CSC[C@@H](O)Cn1c2ccccc2c2ccccc21)C(=O)[O-] ZINC000736613012 600600360 /nfs/dbraw/zinc/60/03/60/600600360.db2.gz GIPFTAJFWVDLPT-KGLIPLIRSA-N -1 0 343.448 3.609 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000737256823 600600683 /nfs/dbraw/zinc/60/06/83/600600683.db2.gz KKMPNVUNSCWOKO-KSSFIOAISA-N -1 0 325.408 3.637 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000736903525 600600804 /nfs/dbraw/zinc/60/08/04/600600804.db2.gz KHXNPGPMTNGYHH-SJLPKXTDSA-N -1 0 325.408 3.540 20 0 EHADRM CC[C@@H](CC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000736891866 600600818 /nfs/dbraw/zinc/60/08/18/600600818.db2.gz HITHEPMXQMTSAW-KXBFYZLASA-N -1 0 325.408 3.855 20 0 EHADRM CCCN(CC)c1ccc(C(=O)N(CC(=O)[O-])c2ccccc2)cc1 ZINC000337731038 600602464 /nfs/dbraw/zinc/60/24/64/600602464.db2.gz FMMDZNUWHITFTL-UHFFFAOYSA-N -1 0 340.423 3.654 20 0 EHADRM Cc1cc(O[C@@H](C)C(=O)N(CC(=O)[O-])c2ccccc2)ccc1Cl ZINC000738464297 600604158 /nfs/dbraw/zinc/60/41/58/600604158.db2.gz FLUFJMDQLGDKGA-ZDUSSCGKSA-N -1 0 347.798 3.534 20 0 EHADRM Cc1ccc(C(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])cc1 ZINC000237632905 600604557 /nfs/dbraw/zinc/60/45/57/600604557.db2.gz OINUVJQPMXZMHE-HXUWFJFHSA-N -1 0 347.414 3.822 20 0 EHADRM CCSCc1ccc(C(=O)N(CC(=O)[O-])c2ccccc2)cc1 ZINC000156230576 600605618 /nfs/dbraw/zinc/60/56/18/600605618.db2.gz HWJMYDZKYITBAL-UHFFFAOYSA-N -1 0 329.421 3.671 20 0 EHADRM CCc1cc(NC[C@H](Cc2cccc3ccccc32)C(=O)[O-])ncn1 ZINC000737251299 600611695 /nfs/dbraw/zinc/61/16/95/600611695.db2.gz CSIFLMYKNPHQMC-INIZCTEOSA-N -1 0 335.407 3.548 20 0 EHADRM CCc1cc(NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])ncn1 ZINC000737252922 600611706 /nfs/dbraw/zinc/61/17/06/600611706.db2.gz XGLNYQZTQDVREV-QGZVFWFLSA-N -1 0 335.407 3.548 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N[C@@](C)(C(=O)[O-])C3CC3)c(F)c2)cc1 ZINC000237716378 600614577 /nfs/dbraw/zinc/61/45/77/600614577.db2.gz OXTHPMHJAJIOKK-HXUWFJFHSA-N -1 0 341.382 3.784 20 0 EHADRM C[C@@](NC(=O)CCCSc1ccc(Cl)cc1)(C(=O)[O-])C1CC1 ZINC000237713563 600617492 /nfs/dbraw/zinc/61/74/92/600617492.db2.gz BNSGXXGBLWMMIX-INIZCTEOSA-N -1 0 341.860 3.582 20 0 EHADRM COc1cc(C)sc1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000178251992 600624503 /nfs/dbraw/zinc/62/45/03/600624503.db2.gz SVKCZGQRYQLRCA-UHFFFAOYSA-N -1 0 325.773 3.669 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)C2(c3ccccc3F)CC2)c1 ZINC000740074542 600625238 /nfs/dbraw/zinc/62/52/38/600625238.db2.gz PLJKBICQXADBEV-UHFFFAOYSA-N -1 0 333.746 3.848 20 0 EHADRM CN(CCc1ccc(Cl)cc1)C(=O)c1ccccc1NC(=O)[O-] ZINC000737449303 600635222 /nfs/dbraw/zinc/63/52/22/600635222.db2.gz QNWQREWGQQIPAZ-UHFFFAOYSA-N -1 0 332.787 3.745 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)Nc1ccccc1)Cc1cccc2ccccc21 ZINC000739403587 600652660 /nfs/dbraw/zinc/65/26/60/600652660.db2.gz QNOWTCPCLCJQCP-QGZVFWFLSA-N -1 0 348.402 3.905 20 0 EHADRM COc1ccc(CCCC(=O)O[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000832299940 600654042 /nfs/dbraw/zinc/65/40/42/600654042.db2.gz RAJZUXUOIPKRDU-GOSISDBHSA-N -1 0 346.354 3.526 20 0 EHADRM CSc1ccc(O[C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000540702955 600660571 /nfs/dbraw/zinc/66/05/71/600660571.db2.gz PNQFVELEGBEMRX-SNVBAGLBSA-N -1 0 349.383 3.652 20 0 EHADRM CN(CCc1cccc2ccccc21)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000179986410 600664134 /nfs/dbraw/zinc/66/41/34/600664134.db2.gz SJFUKLFIVGHPAZ-ROUUACIJSA-N -1 0 339.435 3.732 20 0 EHADRM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000183961850 600668976 /nfs/dbraw/zinc/66/89/76/600668976.db2.gz FPLXKWUXDLDFEA-OLMNPRSZSA-N -1 0 329.440 3.705 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2cccc(Oc3ccncc3)c2)C1 ZINC000191593756 600669140 /nfs/dbraw/zinc/66/91/40/600669140.db2.gz KRKZSXFQEFUDAY-KGLIPLIRSA-N -1 0 340.379 3.703 20 0 EHADRM O=C([O-])[C@@H](CNc1nc(C(F)F)nc2ccccc21)c1ccccc1 ZINC000739501061 600671274 /nfs/dbraw/zinc/67/12/74/600671274.db2.gz FOCCYFZMVOJALM-ZDUSSCGKSA-N -1 0 343.333 3.848 20 0 EHADRM COc1ccc(NCc2cc(-c3ccc(C)cc3)no2)c(C(=O)[O-])c1 ZINC000738040313 600676762 /nfs/dbraw/zinc/67/67/62/600676762.db2.gz QENSLDXOORCNIE-UHFFFAOYSA-N -1 0 338.363 3.969 20 0 EHADRM CC(C)C[C@H](C(=O)N(C)c1nc(CC(=O)[O-])cs1)c1ccccc1 ZINC000736401103 600689413 /nfs/dbraw/zinc/68/94/13/600689413.db2.gz CATKWOIGOCIMGZ-HNNXBMFYSA-N -1 0 346.452 3.563 20 0 EHADRM O=C([O-])c1cccc(-c2noc(COc3ccc(Cl)cc3)n2)c1 ZINC000113022591 600693703 /nfs/dbraw/zinc/69/37/03/600693703.db2.gz QJCNNJJELMLYSY-UHFFFAOYSA-N -1 0 330.727 3.667 20 0 EHADRM C[C@H](Oc1ccccc1F)c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000827901819 600696199 /nfs/dbraw/zinc/69/61/99/600696199.db2.gz AVOSQULBWVLKDJ-JTQLQIEISA-N -1 0 328.299 3.714 20 0 EHADRM Cc1ccc(Br)cc1C(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC000832910500 600697059 /nfs/dbraw/zinc/69/70/59/600697059.db2.gz NTNKYXYDESZBCU-AWEZNQCLSA-N -1 0 349.180 3.740 20 0 EHADRM O=C([O-])c1cccc(-c2noc([C@@H]3C[C@]34CCc3ccccc34)n2)c1 ZINC000833327872 600697114 /nfs/dbraw/zinc/69/71/14/600697114.db2.gz JUXVRBKFUVQVTN-JXFKEZNVSA-N -1 0 332.359 3.806 20 0 EHADRM COc1ccc2[nH]cc(Cc3nc(-c4cccc(C(=O)[O-])c4)no3)c2c1 ZINC000832481609 600698038 /nfs/dbraw/zinc/69/80/38/600698038.db2.gz MRZSWQWSWVAFEW-UHFFFAOYSA-N -1 0 349.346 3.516 20 0 EHADRM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000236667498 600707343 /nfs/dbraw/zinc/70/73/43/600707343.db2.gz FCFQIEFIMRDLBX-QQFBHYJXSA-N -1 0 346.471 3.825 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@H]1CCSc2ccccc21)c1ccccc1 ZINC000833350935 600710910 /nfs/dbraw/zinc/71/09/10/600710910.db2.gz MSCKJIHEGDOLKY-GOEBONIOSA-N -1 0 328.389 3.635 20 0 EHADRM CCCCCN(C(C)C)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000551242513 600715799 /nfs/dbraw/zinc/71/57/99/600715799.db2.gz XQRDGMGIQKDPQC-UHFFFAOYSA-N -1 0 347.864 3.628 20 0 EHADRM CSc1ccc(O[C@H](C)C(=O)O[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000738210954 600734788 /nfs/dbraw/zinc/73/47/88/600734788.db2.gz DWFJOQRIQZQSCX-WBMJQRKESA-N -1 0 346.404 3.545 20 0 EHADRM O=C([O-])[C@@H](N[C@@H](c1ccco1)c1ccccc1)c1ccccc1F ZINC000833167223 600734935 /nfs/dbraw/zinc/73/49/35/600734935.db2.gz KXWYNKMVCVMUBU-MSOLQXFVSA-N -1 0 325.339 3.924 20 0 EHADRM CC(=O)Nc1ccc(N[C@H](C(=O)[O-])c2ccccc2F)cc1Cl ZINC000825902897 600735508 /nfs/dbraw/zinc/73/55/08/600735508.db2.gz IPEJZVWEJDSEQU-HNNXBMFYSA-N -1 0 336.750 3.675 20 0 EHADRM C[C@H](CCOc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000827423012 600740517 /nfs/dbraw/zinc/74/05/17/600740517.db2.gz VDPDPNZPORAVFS-DYVFJYSZSA-N -1 0 346.354 3.600 20 0 EHADRM Cc1cccc(CN[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)n1 ZINC000832967187 600740882 /nfs/dbraw/zinc/74/08/82/600740882.db2.gz SCPWTGPRJMAMOM-AWEZNQCLSA-N -1 0 325.195 3.612 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1)c1cc(F)ccc1F ZINC000736914545 600742248 /nfs/dbraw/zinc/74/22/48/600742248.db2.gz VJFYGMGJCMGHAS-HNNXBMFYSA-N -1 0 334.322 3.936 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263483120 600747832 /nfs/dbraw/zinc/74/78/32/600747832.db2.gz OMQNVSDKTMKAEV-DAWZGUTISA-N -1 0 346.471 3.601 20 0 EHADRM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)NC2CCC(C(=O)[O-])CC2)o1 ZINC000263492469 600748919 /nfs/dbraw/zinc/74/89/19/600748919.db2.gz ROXWJOCQRACBNB-TWRYWWQQSA-N -1 0 348.443 3.714 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)[C@H]2C[C@]23CCc2ccccc23)ccc1F ZINC000833283341 600786150 /nfs/dbraw/zinc/78/61/50/600786150.db2.gz HIUCDWKUANFCKH-KUHUBIRLSA-N -1 0 340.354 3.758 20 0 EHADRM CC(=O)c1ccc(OCCOc2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000825957355 600800168 /nfs/dbraw/zinc/80/01/68/600800168.db2.gz SSHXZLFEHMCQKR-UHFFFAOYSA-N -1 0 334.755 3.699 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCCc1ccccc1)c1cccc(Cl)c1 ZINC000776675337 600800459 /nfs/dbraw/zinc/80/04/59/600800459.db2.gz SMCNVQOSMSJXND-KRWDZBQOSA-N -1 0 345.826 3.995 20 0 EHADRM C[C@@H](CS[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1)C(=O)[O-] ZINC000827574763 600805284 /nfs/dbraw/zinc/80/52/84/600805284.db2.gz GAMOOILYNFIASI-IUCAKERBSA-N -1 0 326.805 3.905 20 0 EHADRM CCc1[nH]c(C(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)c(C)c1C(=O)[O-] ZINC000830183322 600810187 /nfs/dbraw/zinc/81/01/87/600810187.db2.gz FTMFLHSVOMIGQK-SMDDNHRTSA-N -1 0 344.411 3.790 20 0 EHADRM Cc1cccc([C@H](C)CNC(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC000738694013 600810718 /nfs/dbraw/zinc/81/07/18/600810718.db2.gz XFPHIZJMUAHYLH-GFCCVEGCSA-N -1 0 330.359 3.758 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2cccc(C(=O)[O-])c2)[C@H](c2ccco2)C1 ZINC000828278994 600813156 /nfs/dbraw/zinc/81/31/56/600813156.db2.gz UMWZSPFJAYNLFG-WFASDCNBSA-N -1 0 328.368 3.983 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OC(=O)c1cccc2cnccc21 ZINC000833299859 600818523 /nfs/dbraw/zinc/81/85/23/600818523.db2.gz VYQVXXQXHCQIFZ-UHFFFAOYSA-N -1 0 327.723 3.806 20 0 EHADRM Cc1ccc2c(CCC(=O)N3CCc4cc(C(=O)[O-])ccc43)c[nH]c2c1 ZINC000832959149 600818774 /nfs/dbraw/zinc/81/87/74/600818774.db2.gz CSTXMZLLOQOALI-UHFFFAOYSA-N -1 0 348.402 3.696 20 0 EHADRM Cc1cccc(CS[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)c1 ZINC000832967176 600825025 /nfs/dbraw/zinc/82/50/25/600825025.db2.gz RTJMJJGVHSDMRZ-CQSZACIVSA-N -1 0 347.461 3.793 20 0 EHADRM CCC[C@@](C)(NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000236954142 600830903 /nfs/dbraw/zinc/83/09/03/600830903.db2.gz DVJQIOWEXXGCDN-BDJLRTHQSA-N -1 0 345.361 3.959 20 0 EHADRM CCN(CC)C(=S)SCCOc1ccc(C(=O)[O-])cc1Cl ZINC000829658656 600832237 /nfs/dbraw/zinc/83/22/37/600832237.db2.gz LWVUHEWVWYHLOW-UHFFFAOYSA-N -1 0 347.889 3.777 20 0 EHADRM O=C([O-])[C@@H](Sc1n[nH]c(-c2ccccc2F)n1)c1ccccc1F ZINC000833170239 600833066 /nfs/dbraw/zinc/83/30/66/600833066.db2.gz OVMLKZYXPDAVIH-ZDUSSCGKSA-N -1 0 347.346 3.668 20 0 EHADRM Cc1oc(CN2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)cc1C(=O)[O-] ZINC000568066401 600834739 /nfs/dbraw/zinc/83/47/39/600834739.db2.gz YZYMBIVXOHJMPE-AUUYWEPGSA-N -1 0 343.423 3.865 20 0 EHADRM Cc1ccc(C)c([C@H]2CN(Cc3ccoc3C(=O)[O-])[C@@H](C)CO2)c1 ZINC000582186577 600835584 /nfs/dbraw/zinc/83/55/84/600835584.db2.gz GXTFKEHIJVMAOM-WMLDXEAASA-N -1 0 329.396 3.557 20 0 EHADRM O=C([O-])[C@@H](Sc1nnc(CCC2CCCC2)[nH]1)c1ccccc1F ZINC000833168826 600836801 /nfs/dbraw/zinc/83/68/01/600836801.db2.gz FAZXCBMTMLEQID-HNNXBMFYSA-N -1 0 349.431 3.985 20 0 EHADRM CCCCc1nc(-c2ccc(OCc3ccoc3C(=O)[O-])cc2)no1 ZINC000829439692 600837174 /nfs/dbraw/zinc/83/71/74/600837174.db2.gz CJFHPJVAQJLLBX-UHFFFAOYSA-N -1 0 342.351 3.949 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)ccc1C(=O)[O-] ZINC000237814705 600839011 /nfs/dbraw/zinc/83/90/11/600839011.db2.gz OXMUKBBODWNWLM-ZIAGYGMSSA-N -1 0 331.318 3.714 20 0 EHADRM C[C@H]1CN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C[C@H](C)S1 ZINC000565104141 600839816 /nfs/dbraw/zinc/83/98/16/600839816.db2.gz NJTQJHJIAKOVMK-RYUDHWBXSA-N -1 0 348.493 3.834 20 0 EHADRM C[C@@H]1CN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C[C@H](C)S1 ZINC000565104146 600840145 /nfs/dbraw/zinc/84/01/45/600840145.db2.gz NJTQJHJIAKOVMK-TXEJJXNPSA-N -1 0 348.493 3.834 20 0 EHADRM O=C([O-])[C@H](Sc1ncccc1Br)c1ccccc1F ZINC000833168718 600840644 /nfs/dbraw/zinc/84/06/44/600840644.db2.gz CMSHZAUTYOZNIR-LLVKDONJSA-N -1 0 342.189 3.901 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1SCCc2ccccc21 ZINC000120222582 600847409 /nfs/dbraw/zinc/84/74/09/600847409.db2.gz XNGTZDUJIQHVPX-MRXNPFEDSA-N -1 0 327.405 3.662 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000237351963 600851108 /nfs/dbraw/zinc/85/11/08/600851108.db2.gz IQXLDZKPGCXJRU-KSSFIOAISA-N -1 0 343.398 3.727 20 0 EHADRM Cc1c(Br)cccc1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000088440199 600853269 /nfs/dbraw/zinc/85/32/69/600853269.db2.gz YMUNBRBYJRGDQX-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM CCCOc1ccc(CCC(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000262271553 600853795 /nfs/dbraw/zinc/85/37/95/600853795.db2.gz IMAYMGXXOXRBGP-UHFFFAOYSA-N -1 0 341.407 3.674 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000237348063 600858952 /nfs/dbraw/zinc/85/89/52/600858952.db2.gz LIJVBZYOWJZWFL-AWEZNQCLSA-N -1 0 343.398 3.751 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)[C@H]2SCCc3sccc32)cc1 ZINC000833290876 600862611 /nfs/dbraw/zinc/86/26/11/600862611.db2.gz XFPYATQAUJLRMD-ZDUSSCGKSA-N -1 0 335.406 3.774 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)CCC(F)(F)F ZINC000678982607 600876354 /nfs/dbraw/zinc/87/63/54/600876354.db2.gz RHCIYJKVBQNWHY-UHFFFAOYSA-N -1 0 331.315 3.558 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)C[C@@H](C)c2ccccc2)c1OC ZINC000262552137 600876382 /nfs/dbraw/zinc/87/63/82/600876382.db2.gz VFXZSADXRVUHPA-GFCCVEGCSA-N -1 0 343.379 3.534 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@H]2CCOc3ccccc32)cc1 ZINC000262281248 600878959 /nfs/dbraw/zinc/87/89/59/600878959.db2.gz URMMRLDVQQLTJP-INIZCTEOSA-N -1 0 339.391 3.554 20 0 EHADRM Cc1ccc([C@H](CNC(=O)[C@H](c2ccccc2)C(C)C)C(=O)[O-])cc1 ZINC000540671488 600880670 /nfs/dbraw/zinc/88/06/70/600880670.db2.gz RSCKAMBDSYOCGX-OALUTQOASA-N -1 0 339.435 3.719 20 0 EHADRM Cc1cc(NC(=O)C2CCC(c3ccccc3)CC2)c(C(=O)[O-])[nH]1 ZINC000832892843 600881002 /nfs/dbraw/zinc/88/10/02/600881002.db2.gz HAQLZHWVBZPTHT-UHFFFAOYSA-N -1 0 326.396 3.934 20 0 EHADRM C/C(=C/C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1)C(C)(C)C ZINC000825723945 600881719 /nfs/dbraw/zinc/88/17/19/600881719.db2.gz FBOORUOJCNNFPL-UITAMQMPSA-N -1 0 333.413 3.767 20 0 EHADRM CC(C)CC[S@@](=O)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000826861175 600881730 /nfs/dbraw/zinc/88/17/30/600881730.db2.gz QBCMSYBPTDHTHH-JOCHJYFZSA-N -1 0 337.466 3.803 20 0 EHADRM Cc1ccc([C@@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)o1 ZINC000832923032 600883039 /nfs/dbraw/zinc/88/30/39/600883039.db2.gz FYUXOWRQCMUGML-SECBINFHSA-N -1 0 339.294 3.630 20 0 EHADRM CC(C)Cc1nc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cs1 ZINC000736453220 600884017 /nfs/dbraw/zinc/88/40/17/600884017.db2.gz JUTVWTYESZKHKC-UHFFFAOYSA-N -1 0 346.452 3.956 20 0 EHADRM CCN(C(=O)[C@@H]1SCCc2ccccc21)c1ccccc1C(=O)[O-] ZINC000829591879 600887936 /nfs/dbraw/zinc/88/79/36/600887936.db2.gz ZSFMVRKSEMBEMF-QGZVFWFLSA-N -1 0 341.432 3.768 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CCC(=Cc3cccc(F)c3)CC2)C1 ZINC000262538649 600894946 /nfs/dbraw/zinc/89/49/46/600894946.db2.gz KOTUIUCHROHOHF-SJORKVTESA-N -1 0 345.414 3.723 20 0 EHADRM CC(C)(C)c1nc2ccc(NC(=O)C(C)(C)NC(=O)[O-])cc2s1 ZINC000826627156 600901259 /nfs/dbraw/zinc/90/12/59/600901259.db2.gz DZCDOBUMEGMTOG-UHFFFAOYSA-N -1 0 335.429 3.579 20 0 EHADRM Cc1ccc(C)c(SCc2cccc(C(=O)NCCC(=O)[O-])c2)c1 ZINC000237660531 600901374 /nfs/dbraw/zinc/90/13/74/600901374.db2.gz MTAGHUXCFSRDES-UHFFFAOYSA-N -1 0 343.448 3.800 20 0 EHADRM CCOc1ccc(SCC(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC000314170068 600901974 /nfs/dbraw/zinc/90/19/74/600901974.db2.gz BSVBDBJMAXUBIC-UHFFFAOYSA-N -1 0 337.422 3.576 20 0 EHADRM O=C([O-])c1ccc(OC/C(Cl)=C\Cl)c(Br)c1 ZINC000833321696 600902407 /nfs/dbraw/zinc/90/24/07/600902407.db2.gz JYNVEPYANQTIDW-QPJJXVBHSA-N -1 0 325.973 3.845 20 0 EHADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N(C)c1ccc(-c2ccccc2)cc1 ZINC000826700787 600904166 /nfs/dbraw/zinc/90/41/66/600904166.db2.gz ZJTLGXPQMYWVCX-QGZVFWFLSA-N -1 0 326.396 3.609 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)cc2)oc1C ZINC000679390172 600904867 /nfs/dbraw/zinc/90/48/67/600904867.db2.gz YMYULCAMGFQAGQ-GJZGRUSLSA-N -1 0 342.395 3.788 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc(Oc3ccccc3)nc2)C1 ZINC000833185215 600907660 /nfs/dbraw/zinc/90/76/60/600907660.db2.gz GCTRFVLTQQKWRA-KGLIPLIRSA-N -1 0 340.379 3.703 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)c2)[nH]c1C ZINC000832991508 600908454 /nfs/dbraw/zinc/90/84/54/600908454.db2.gz KIFFALVZBXRXBZ-CABCVRRESA-N -1 0 341.411 3.523 20 0 EHADRM COc1cccc(CN(CC(C)C)C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000630226082 600915211 /nfs/dbraw/zinc/91/52/11/600915211.db2.gz ACBCGPKTFIAVIA-SJORKVTESA-N -1 0 347.455 3.571 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000610853225 600920618 /nfs/dbraw/zinc/92/06/18/600920618.db2.gz VEQIUNCBDYTHAG-LBPRGKRZSA-N -1 0 349.452 3.773 20 0 EHADRM COc1c(Cl)cc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1Cl ZINC000262567853 600921015 /nfs/dbraw/zinc/92/10/15/600921015.db2.gz MEXKGSFMOPJZOG-RKDXNWHRSA-N -1 0 346.210 3.832 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000539604632 600921190 /nfs/dbraw/zinc/92/11/90/600921190.db2.gz AYRITCQWTOOVTQ-ATZDWAIDSA-N -1 0 339.435 3.806 20 0 EHADRM CC(C)C[C@H](CNC(=O)CCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000317211793 600924572 /nfs/dbraw/zinc/92/45/72/600924572.db2.gz LDEGQYNDZOADSU-GFCCVEGCSA-N -1 0 346.254 3.789 20 0 EHADRM CC(C)C[C@H](CNC(=O)CCc1ccc2ccccc2c1)C(=O)[O-] ZINC000486294163 600924589 /nfs/dbraw/zinc/92/45/89/600924589.db2.gz NDQMCJRLFICESY-GOSISDBHSA-N -1 0 327.424 3.636 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@H](C)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000678983441 600927521 /nfs/dbraw/zinc/92/75/21/600927521.db2.gz ROGWKXWUBOQZMS-GHMZBOCLSA-N -1 0 346.254 3.960 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2scnc2-c2ccccc2)C1 ZINC000833186089 600927943 /nfs/dbraw/zinc/92/79/43/600927943.db2.gz FKDIWMPBOQENQU-STQMWFEESA-N -1 0 330.409 3.640 20 0 EHADRM CCCC[C@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(OC)cc1 ZINC000829285344 600929819 /nfs/dbraw/zinc/92/98/19/600929819.db2.gz KZKHGRHMQNASMP-NUJGCVRESA-N -1 0 347.455 3.934 20 0 EHADRM Cc1ccc(C)c2sc(NC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)nc21 ZINC000832925389 600941776 /nfs/dbraw/zinc/94/17/76/600941776.db2.gz MLJCREKJYYNMRE-NWDGAFQWSA-N -1 0 332.425 3.743 20 0 EHADRM CCO[C@@H](C)c1ncc(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)s1 ZINC000829908104 600943817 /nfs/dbraw/zinc/94/38/17/600943817.db2.gz SBSGIHLFBORADH-QWRGUYRKSA-N -1 0 349.408 3.857 20 0 EHADRM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc(C(=O)[O-])s1 ZINC000236701105 600954967 /nfs/dbraw/zinc/95/49/67/600954967.db2.gz UEPQXUXRKYFRSS-ZDUSSCGKSA-N -1 0 335.400 3.583 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000833268650 600959422 /nfs/dbraw/zinc/95/94/22/600959422.db2.gz DEFXIOPWBBDUOW-UTKZUKDTSA-N -1 0 336.387 3.513 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(F)cc1Cl ZINC000180015806 600961635 /nfs/dbraw/zinc/96/16/35/600961635.db2.gz JILNLGWKJJQFPT-DCAQKATOSA-N -1 0 327.783 3.547 20 0 EHADRM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2ccc(C(=O)[O-])cc2)o1 ZINC000237530536 600962224 /nfs/dbraw/zinc/96/22/24/600962224.db2.gz HKBKJVIYBAZSIW-MLGOLLRUSA-N -1 0 327.380 3.900 20 0 EHADRM COc1cccc([C@H](C)OC(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000832533739 600963468 /nfs/dbraw/zinc/96/34/68/600963468.db2.gz PBHNQYFNEHIREY-ZDUSSCGKSA-N -1 0 328.364 3.630 20 0 EHADRM CCO[C@@H](C)c1ncc(C(=O)Nc2cc(C)c(C(=O)[O-])s2)s1 ZINC000829907196 600965620 /nfs/dbraw/zinc/96/56/20/600965620.db2.gz DACWEHQSVSNRDM-QMMMGPOBSA-N -1 0 340.426 3.561 20 0 EHADRM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2cccc(C(=O)[O-])n2)o1 ZINC000262348911 600967257 /nfs/dbraw/zinc/96/72/57/600967257.db2.gz BBQRPJFPPFDIDS-MLGOLLRUSA-N -1 0 342.395 3.549 20 0 EHADRM CCCOc1ccc(CCC(=O)Nc2ccc(F)cc2C(=O)[O-])cc1 ZINC000829532666 600970320 /nfs/dbraw/zinc/97/03/20/600970320.db2.gz ZJQHOFZQGLBQDO-UHFFFAOYSA-N -1 0 345.370 3.884 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000829009976 600970388 /nfs/dbraw/zinc/97/03/88/600970388.db2.gz XLJTXRNVXFGHAI-KFNAQCHYSA-N -1 0 337.391 3.836 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccccc2CC(F)(F)F)C1 ZINC000180020699 600970812 /nfs/dbraw/zinc/97/08/12/600970812.db2.gz FWLJATWKXRLXNW-WDEREUQCSA-N -1 0 329.318 3.621 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NC2CC(c3cccc(Cl)c3)C2)C1 ZINC000779430360 600971469 /nfs/dbraw/zinc/97/14/69/600971469.db2.gz PEEZDNKNPYSMHY-NOZYUVCASA-N -1 0 335.831 3.593 20 0 EHADRM CCC(CC)(NC(=O)[C@@H](C)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000828820171 600976692 /nfs/dbraw/zinc/97/66/92/600976692.db2.gz CXMLFGDLRUHMPY-VIFPVBQESA-N -1 0 332.227 3.857 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)Nc3ccsc3C(=O)[O-])c2c1 ZINC000832958657 600995755 /nfs/dbraw/zinc/99/57/55/600995755.db2.gz FTGCVMDPZRYLRQ-UHFFFAOYSA-N -1 0 328.393 3.807 20 0 EHADRM Cc1csc([C@@H](NC(=O)Nc2cc(C(=O)[O-])ccc2C)C2CC2)n1 ZINC000832988890 600997545 /nfs/dbraw/zinc/99/75/45/600997545.db2.gz MUWLLONLLKBWLV-AWEZNQCLSA-N -1 0 345.424 3.731 20 0 EHADRM C/C(=C/C(=O)N1CCCC[C@H]1C(=O)[O-])c1ccccc1C(F)(F)F ZINC000128612601 601000299 /nfs/dbraw/zinc/00/02/99/601000299.db2.gz UWOQPQNRYFZIET-BMSUMIBZSA-N -1 0 341.329 3.574 20 0 EHADRM CC[C@H](C)C[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000828739597 601001636 /nfs/dbraw/zinc/00/16/36/601001636.db2.gz RRFSVYDLYINQHJ-UONOGXRCSA-N -1 0 347.459 3.931 20 0 EHADRM O=C([O-])C1(NC(=O)[C@@H]2CCSc3ccccc32)CCCCCC1 ZINC000739374235 601001838 /nfs/dbraw/zinc/00/18/38/601001838.db2.gz RYSYNHOPZZJXRU-CQSZACIVSA-N -1 0 333.453 3.560 20 0 EHADRM Cc1ccncc1C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC000738325409 601002939 /nfs/dbraw/zinc/00/29/39/601002939.db2.gz YZHBKMCKOXQBDX-UHFFFAOYSA-N -1 0 330.409 3.671 20 0 EHADRM CCC(CC)c1cc(CNC(=O)Nc2cccc(C(=O)[O-])c2)on1 ZINC000828862563 601008676 /nfs/dbraw/zinc/00/86/76/601008676.db2.gz OYAUMXBBPZDVIP-UHFFFAOYSA-N -1 0 331.372 3.598 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@@H](C)c1cccc(F)c1)c1ccccc1 ZINC000736848657 601011712 /nfs/dbraw/zinc/01/17/12/601011712.db2.gz OBIUHOVTMGHPBL-SUMWQHHRSA-N -1 0 329.371 3.826 20 0 EHADRM Cc1csc([C@@H](NC(=O)Nc2cccc(C(=O)[O-])c2C)C2CC2)n1 ZINC000832988755 601015846 /nfs/dbraw/zinc/01/58/46/601015846.db2.gz GDGNMSGMYGSCPS-AWEZNQCLSA-N -1 0 345.424 3.731 20 0 EHADRM CN(C(=O)[C@H]1CCSc2ccccc21)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737314777 601018890 /nfs/dbraw/zinc/01/88/90/601018890.db2.gz SDOSVOZEGMXYKF-DOTOQJQBSA-N -1 0 341.432 3.550 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1)Cc1cccs1 ZINC000827487145 601024441 /nfs/dbraw/zinc/02/44/41/601024441.db2.gz VPWPGOLICQZMFC-JTQLQIEISA-N -1 0 336.388 3.586 20 0 EHADRM O=C([O-])CCN(C(=O)[C@H]1CSc2ccccc21)c1cccc(F)c1 ZINC000739712921 601026061 /nfs/dbraw/zinc/02/60/61/601026061.db2.gz UEAHOBFDEKILES-HNNXBMFYSA-N -1 0 345.395 3.523 20 0 EHADRM CC(C)=C[C@H]1[C@H](C(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)C1(C)C ZINC000736343971 601039240 /nfs/dbraw/zinc/03/92/40/601039240.db2.gz MJBKXOKDLGCPKA-WCQYABFASA-N -1 0 334.441 3.575 20 0 EHADRM CCCn1ccc2cc(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])ccc21 ZINC000829585241 601041987 /nfs/dbraw/zinc/04/19/87/601041987.db2.gz IPOVWUNQXOTZFK-OAHLLOKOSA-N -1 0 345.443 3.920 20 0 EHADRM Cc1cc(C)cc(C[C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC000832877335 601045010 /nfs/dbraw/zinc/04/50/10/601045010.db2.gz VKLASJKXBABIKQ-CYBMUJFWSA-N -1 0 344.386 3.893 20 0 EHADRM CCC(CC)c1cc(CNC(=O)Nc2ccc(C(=O)[O-])cc2F)on1 ZINC000828863354 601045145 /nfs/dbraw/zinc/04/51/45/601045145.db2.gz ZUTCZUBQODHSCK-UHFFFAOYSA-N -1 0 349.362 3.737 20 0 EHADRM Cc1cccc(F)c1CNC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000832969514 601052054 /nfs/dbraw/zinc/05/20/54/601052054.db2.gz KOIUCGCSEFJWGJ-UHFFFAOYSA-N -1 0 345.374 3.566 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1 ZINC000833282368 601053640 /nfs/dbraw/zinc/05/36/40/601053640.db2.gz VZGFEVVFUIKRIZ-OFQRWUPVSA-N -1 0 331.416 3.545 20 0 EHADRM CC(C)c1cc(C(=O)Oc2cc3ccccc3cc2C(=O)[O-])n(C)n1 ZINC000827107265 601055428 /nfs/dbraw/zinc/05/54/28/601055428.db2.gz WSPIVKRAPCQZCH-UHFFFAOYSA-N -1 0 338.363 3.614 20 0 EHADRM Cc1c2ccccc2oc1C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000832854032 601057379 /nfs/dbraw/zinc/05/73/79/601057379.db2.gz RNMVEXNUFWDYMX-INIZCTEOSA-N -1 0 328.295 3.863 20 0 EHADRM O=C([O-])[C@H](OC(=O)CCc1c[nH]c2ccccc12)c1ccccc1F ZINC000833100518 601057767 /nfs/dbraw/zinc/05/77/67/601057767.db2.gz GAIRJJKRFZZRPK-GOSISDBHSA-N -1 0 341.338 3.609 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)CCOc1ccccc1 ZINC000120269529 601058045 /nfs/dbraw/zinc/05/80/45/601058045.db2.gz PVPXGASBDZCVDH-AWEZNQCLSA-N -1 0 327.380 3.737 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)[C@@H]1Cc2ccccc21 ZINC000678981943 601059250 /nfs/dbraw/zinc/05/92/50/601059250.db2.gz JZXFGALCJQNBPM-CQSZACIVSA-N -1 0 337.400 3.556 20 0 EHADRM O=C([O-])c1cccc(-c2nc(COC(=O)C3CCCC3)cs2)c1 ZINC000833326704 601062338 /nfs/dbraw/zinc/06/23/38/601062338.db2.gz UCAAGVJVRIQGPY-UHFFFAOYSA-N -1 0 331.393 3.742 20 0 EHADRM CCC(C)(C)CC(=O)N[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000828609742 601063660 /nfs/dbraw/zinc/06/36/60/601063660.db2.gz XCTMGTQNVBIZKD-CYBMUJFWSA-N -1 0 342.233 3.517 20 0 EHADRM CO[C@@H](CNC(=O)c1ccccc1NC(=O)[O-])c1ccc(Cl)cc1 ZINC000737733194 601064215 /nfs/dbraw/zinc/06/42/15/601064215.db2.gz JTCSEDBBZUOLJB-HNNXBMFYSA-N -1 0 348.786 3.547 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(-c3ccco3)nc2C)cc1C(=O)[O-] ZINC000191034213 601064612 /nfs/dbraw/zinc/06/46/12/601064612.db2.gz UJHRJRBOMFKYTJ-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM Cc1ccc2c(CC(=O)O[C@H](C(=O)[O-])c3ccccc3F)coc2c1 ZINC000832960601 601065771 /nfs/dbraw/zinc/06/57/71/601065771.db2.gz RJUCNMBJKGQQOU-SFHVURJKSA-N -1 0 342.322 3.792 20 0 EHADRM Cc1[nH]c(C(=O)N[C@@H](CC2CC2)c2ccccc2)c(C)c1C(=O)[O-] ZINC000738157290 601067119 /nfs/dbraw/zinc/06/71/19/601067119.db2.gz XERFZRUNTZSJCH-HNNXBMFYSA-N -1 0 326.396 3.601 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N[C@H]2CCc3c2cccc3O)c1 ZINC000833154539 601070162 /nfs/dbraw/zinc/07/01/62/601070162.db2.gz VYCKFAKLHNFFEV-AWEZNQCLSA-N -1 0 346.770 3.553 20 0 EHADRM O=C([O-])c1cccc(-c2nc(COC(=O)[C@H]3CC=CCC3)cs2)c1 ZINC000833326231 601071086 /nfs/dbraw/zinc/07/10/86/601071086.db2.gz JEYPFLLNWAIWEI-LBPRGKRZSA-N -1 0 343.404 3.908 20 0 EHADRM CC(C)[C@@H](CC(=O)NC[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000262554401 601072568 /nfs/dbraw/zinc/07/25/68/601072568.db2.gz XUYNXYBSZATMOS-MOPGFXCFSA-N -1 0 339.435 3.801 20 0 EHADRM Cc1occc1C(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000833030530 601075786 /nfs/dbraw/zinc/07/57/86/601075786.db2.gz XYZJKSHTSAYRCZ-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM C[C@H](C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1)c1cccs1 ZINC000826026984 601076737 /nfs/dbraw/zinc/07/67/37/601076737.db2.gz SGAGOAOZUPWZTB-QMMMGPOBSA-N -1 0 338.454 3.943 20 0 EHADRM CSCc1cc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)ccc1F ZINC000237384006 601082469 /nfs/dbraw/zinc/08/24/69/601082469.db2.gz GRAJJROSKVSRDH-UHFFFAOYSA-N -1 0 347.411 3.958 20 0 EHADRM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000439795342 601085606 /nfs/dbraw/zinc/08/56/06/601085606.db2.gz UEAQNUHKMZWKLE-SJCJKPOMSA-N -1 0 327.355 3.747 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc(C(=O)[O-])s1 ZINC000262106430 601087056 /nfs/dbraw/zinc/08/70/56/601087056.db2.gz JOTRZFXBQSOKFV-CQSZACIVSA-N -1 0 331.437 3.848 20 0 EHADRM CCc1ccsc1C(=O)N1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000830282447 601088033 /nfs/dbraw/zinc/08/80/33/601088033.db2.gz WNTRTZUZFGKEHI-GJZGRUSLSA-N -1 0 335.469 3.806 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)CCCc1ccccc1 ZINC000833176198 601092193 /nfs/dbraw/zinc/09/21/93/601092193.db2.gz BQNVMISPMSFMSD-RTBURBONSA-N -1 0 343.467 3.891 20 0 EHADRM Cc1ccc(CCC(=O)O[C@@H](C(=O)[O-])c2ccccc2F)c(C)c1 ZINC000832931025 601096107 /nfs/dbraw/zinc/09/61/07/601096107.db2.gz WRHSXQACKUNZBT-GOSISDBHSA-N -1 0 330.355 3.744 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cc2ccc(Cl)cc2[nH]1)c1ccccc1F ZINC000833350215 601101620 /nfs/dbraw/zinc/10/16/20/601101620.db2.gz BQGSDYJXVKKBJQ-HNNXBMFYSA-N -1 0 347.729 3.943 20 0 EHADRM CCc1nc(NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)sc1C ZINC000830317676 601102011 /nfs/dbraw/zinc/10/20/11/601102011.db2.gz HFGXGVJUOUAOCD-UHFFFAOYSA-N -1 0 348.428 3.768 20 0 EHADRM CC(C)COCCC(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000826900392 601106168 /nfs/dbraw/zinc/10/61/68/601106168.db2.gz DMCFQQVTQSFDBX-AWEZNQCLSA-N -1 0 349.210 3.725 20 0 EHADRM O=C([O-])[C@@H](OC(=O)COC1CCCC1)c1ccc(Cl)cc1Cl ZINC000833112313 601112880 /nfs/dbraw/zinc/11/28/80/601112880.db2.gz KHQAXIZYEHMUOM-AWEZNQCLSA-N -1 0 347.194 3.622 20 0 EHADRM CSCCCOC(=O)c1ccc(-c2ccc(C(=O)[O-])cc2)cc1 ZINC000832762857 601115074 /nfs/dbraw/zinc/11/50/74/601115074.db2.gz DCUUIPWTSSOUEZ-UHFFFAOYSA-N -1 0 330.405 3.962 20 0 EHADRM CCN(C(=O)c1ccc2[nH]c(C)c(C)c2c1)c1ncc(C(=O)[O-])s1 ZINC000737059991 601125266 /nfs/dbraw/zinc/12/52/66/601125266.db2.gz WXXIUTFNNJDWRO-UHFFFAOYSA-N -1 0 343.408 3.606 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)ccc1Br ZINC000108654657 601125387 /nfs/dbraw/zinc/12/53/87/601125387.db2.gz WRUZQAPOJGPZLS-MNOVXSKESA-N -1 0 340.217 3.587 20 0 EHADRM CCC(C)(C)NC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000828612181 601131829 /nfs/dbraw/zinc/13/18/29/601131829.db2.gz QGXXOVAEXFKXGC-UHFFFAOYSA-N -1 0 348.321 3.636 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(Cl)ccc2OC(F)F)cc1 ZINC000500617256 601133887 /nfs/dbraw/zinc/13/38/87/601133887.db2.gz NXGKGFBEGDFEFI-UHFFFAOYSA-N -1 0 341.697 3.892 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)NCCCCCC(=O)[O-] ZINC000320801758 601135603 /nfs/dbraw/zinc/13/56/03/601135603.db2.gz POHANPSFQPJESR-UHFFFAOYSA-N -1 0 332.322 3.780 20 0 EHADRM Cc1ccc(NC(=O)NCCc2ccc3ccccc3n2)cc1C(=O)[O-] ZINC000832946494 601141611 /nfs/dbraw/zinc/14/16/11/601141611.db2.gz CGAIQRGBHOKWQP-UHFFFAOYSA-N -1 0 349.390 3.606 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H]2CCc3ccc(F)cc32)cc1C(=O)[O-] ZINC000832946568 601141731 /nfs/dbraw/zinc/14/17/31/601141731.db2.gz IXBVSNZIMJVIKJ-MRXNPFEDSA-N -1 0 328.343 3.641 20 0 EHADRM CC[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000829033672 601142124 /nfs/dbraw/zinc/14/21/24/601142124.db2.gz SILNVJHXHPMZAI-INIZCTEOSA-N -1 0 327.384 3.703 20 0 EHADRM CC[C@H](C)[C@@H](C)N(C(=O)NCc1ccc(OC)c(C(=O)[O-])c1)C1CC1 ZINC000828706879 601148291 /nfs/dbraw/zinc/14/82/91/601148291.db2.gz BABAGMNRHQODOK-QWHCGFSZSA-N -1 0 348.443 3.502 20 0 EHADRM CC[C@H](CNC(=O)c1ccccc1NC(=O)[O-])Oc1ccccc1F ZINC000828883269 601148460 /nfs/dbraw/zinc/14/84/60/601148460.db2.gz BOMRWMUNCZGVKT-GFCCVEGCSA-N -1 0 346.358 3.503 20 0 EHADRM CC[C@H](Oc1ccccc1Cl)C(=O)OCc1ccc(C(=O)[O-])o1 ZINC000829020620 601151786 /nfs/dbraw/zinc/15/17/86/601151786.db2.gz IEICYFWVOAJBNN-LBPRGKRZSA-N -1 0 338.743 3.532 20 0 EHADRM COc1ccc(NC(=O)c2ccc(OC(C)(C)C)cc2)c(C(=O)[O-])c1 ZINC000832407323 601152149 /nfs/dbraw/zinc/15/21/49/601152149.db2.gz FGPGBLDJYAPYBJ-UHFFFAOYSA-N -1 0 343.379 3.823 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)OCc2cccc(OC(F)(F)F)c2)C1 ZINC000833189283 601160442 /nfs/dbraw/zinc/16/04/42/601160442.db2.gz RBYZYCJTFGCWKF-RYUDHWBXSA-N -1 0 346.301 3.519 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000826026376 601165879 /nfs/dbraw/zinc/16/58/79/601165879.db2.gz NZOCSCFFRLEWQK-YBICKCOGSA-N -1 0 341.451 3.781 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Oc2ccc(-c3cscn3)cc2)C1 ZINC000833187911 601173574 /nfs/dbraw/zinc/17/35/74/601173574.db2.gz SJQYFOMGYBKGHX-STQMWFEESA-N -1 0 331.393 3.607 20 0 EHADRM C[C@@H]1[C@H](C)Sc2ccccc2N1C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000828521280 601173974 /nfs/dbraw/zinc/17/39/74/601173974.db2.gz JUGLTPRNLJFZAQ-XJFOESAGSA-N -1 0 333.453 3.793 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000532255824 601187431 /nfs/dbraw/zinc/18/74/31/601187431.db2.gz OGGWSIXBECWKBN-UHFFFAOYSA-N -1 0 338.473 3.656 20 0 EHADRM CC[C@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1)Oc1ccccc1F ZINC000828884237 601189663 /nfs/dbraw/zinc/18/96/63/601189663.db2.gz PYILREWDQXUAHM-CQSZACIVSA-N -1 0 346.358 3.503 20 0 EHADRM CCS[C@H]1CCC[C@H]1NC(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000830156944 601191807 /nfs/dbraw/zinc/19/18/07/601191807.db2.gz BDJYOGGKXDUGPB-KGLIPLIRSA-N -1 0 337.445 3.597 20 0 EHADRM Cc1ccc(OCCCC(=O)Oc2cccc(CC(=O)[O-])c2)cc1C ZINC000832952031 601192979 /nfs/dbraw/zinc/19/29/79/601192979.db2.gz DBDHUCVVXYLFJK-UHFFFAOYSA-N -1 0 342.391 3.695 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)OCc1cccc(C(=O)[O-])c1 ZINC000832992234 601194659 /nfs/dbraw/zinc/19/46/59/601194659.db2.gz DDDWNUIBYGNWPA-UHFFFAOYSA-N -1 0 337.331 3.705 20 0 EHADRM CC(C)(NC(=O)c1cccc(NC(=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000826630904 601195132 /nfs/dbraw/zinc/19/51/32/601195132.db2.gz ZNLPUXPSGNFMJY-UHFFFAOYSA-N -1 0 334.322 3.720 20 0 EHADRM Cc1ccc(CCCC(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)s1 ZINC000832930942 601195586 /nfs/dbraw/zinc/19/55/86/601195586.db2.gz VQGKIUZMIAJOEM-MRXNPFEDSA-N -1 0 336.384 3.887 20 0 EHADRM CCO[C@H](C)c1nc(CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cs1 ZINC000829902023 601202977 /nfs/dbraw/zinc/20/29/77/601202977.db2.gz XJIOERQMCQEXRC-WOSRLPQWSA-N -1 0 348.468 3.792 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](c2nc(Cc3cccc4cccnc43)no2)C1 ZINC000833188376 601207722 /nfs/dbraw/zinc/20/77/22/601207722.db2.gz YGNMIPCTELKITD-HUUCEWRRSA-N -1 0 337.379 3.567 20 0 EHADRM CC(C)[C@H](NC(=O)COc1ccccc1NC(=O)[O-])c1ccccc1 ZINC000826694276 601228433 /nfs/dbraw/zinc/22/84/33/601228433.db2.gz RVGVGEIKHYBOGH-SFHVURJKSA-N -1 0 342.395 3.669 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)OCCCc2nc3ccccc3s2)C1 ZINC000833189547 601237952 /nfs/dbraw/zinc/23/79/52/601237952.db2.gz STEUAQGZKMCXQU-STQMWFEESA-N -1 0 347.436 3.663 20 0 EHADRM O=C([O-])c1cc(C(=O)Nc2ccccc2Cc2ccccc2)ccn1 ZINC000238181527 601242767 /nfs/dbraw/zinc/24/27/67/601242767.db2.gz XDHYCERBZUNCJK-UHFFFAOYSA-N -1 0 332.359 3.623 20 0 EHADRM C[C@@H](c1ccccc1)N(C)C(=O)CNc1ccc(F)c(NC(=O)[O-])c1 ZINC000827940602 601249292 /nfs/dbraw/zinc/24/92/92/601249292.db2.gz HHBYAWRKFYRDOP-LBPRGKRZSA-N -1 0 345.374 3.547 20 0 EHADRM CCC1CCC(NC(=O)c2ccc(F)cc2Cl)(C(=O)[O-])CC1 ZINC000386929860 601274008 /nfs/dbraw/zinc/27/40/08/601274008.db2.gz NEDVQUYNHLAOLL-UHFFFAOYSA-N -1 0 327.783 3.633 20 0 EHADRM CCC1CCC(NC(=O)c2ccc(OC)cc2Cl)(C(=O)[O-])CC1 ZINC000829094266 601276664 /nfs/dbraw/zinc/27/66/64/601276664.db2.gz SGLKWQKXIUJOMN-UHFFFAOYSA-N -1 0 339.819 3.502 20 0 EHADRM O=C([O-])c1cc(C(=O)Nc2ccc(-c3ccccc3)cc2F)ccn1 ZINC000833154247 601277803 /nfs/dbraw/zinc/27/78/03/601277803.db2.gz YXBHJPQNJQAPNJ-UHFFFAOYSA-N -1 0 336.322 3.838 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)C/C=C/c1ccc(F)cc1 ZINC000675947962 601278807 /nfs/dbraw/zinc/27/88/07/601278807.db2.gz UVZNILFZLRRJGU-QPJJXVBHSA-N -1 0 341.382 3.733 20 0 EHADRM CCc1[nH]c(C(=O)N2CC[C@H](c3ccccc3)[C@H]2C)c(C)c1C(=O)[O-] ZINC000830183018 601279069 /nfs/dbraw/zinc/27/90/69/601279069.db2.gz ACFWAKFMABERPY-HIFRSBDPSA-N -1 0 340.423 3.602 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)c1cc(Cl)ccc1OC1CCCC1 ZINC000237286588 601279358 /nfs/dbraw/zinc/27/93/58/601279358.db2.gz BTXLRCIDFGYTGL-UHFFFAOYSA-N -1 0 339.819 3.598 20 0 EHADRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)c1cccc2[nH]ccc21 ZINC000564871736 601279753 /nfs/dbraw/zinc/27/97/53/601279753.db2.gz YWMZVLZLOSGREY-UHFFFAOYSA-N -1 0 342.782 3.548 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2oc(C)cc2C)cc1 ZINC000237364141 601282865 /nfs/dbraw/zinc/28/28/65/601282865.db2.gz SMTIAMBYDIQBLZ-AWEZNQCLSA-N -1 0 333.409 3.564 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000776641580 601284249 /nfs/dbraw/zinc/28/42/49/601284249.db2.gz GIIBLLPQURISMT-DEQJRXDXSA-N -1 0 341.382 3.522 20 0 EHADRM Cc1cscc1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000832990306 601284518 /nfs/dbraw/zinc/28/45/18/601284518.db2.gz ULZCSRNBSFYGDZ-UHFFFAOYSA-N -1 0 327.308 3.608 20 0 EHADRM CC(C)[C@@H](C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000262063292 601284804 /nfs/dbraw/zinc/28/48/04/601284804.db2.gz DIYXYKWLFXRMDE-HZPDHXFCSA-N -1 0 349.858 3.793 20 0 EHADRM CN(Cc1ccc(NC(=O)C/C=C/c2cccc(F)c2)cc1)C(=O)[O-] ZINC000830830623 601285629 /nfs/dbraw/zinc/28/56/29/601285629.db2.gz KGXHUAYXSHGKDX-HWKANZROSA-N -1 0 342.370 3.978 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)C/C=C/c2ccc(F)cc2)cc1 ZINC000833281185 601287669 /nfs/dbraw/zinc/28/76/69/601287669.db2.gz FRHRRIRHZVDBHT-OWOJBTEDSA-N -1 0 328.343 3.635 20 0 EHADRM CN(C(=O)c1ccnc(C(=O)[O-])c1)c1ccc(-c2ccccc2)cc1 ZINC000830537864 601291848 /nfs/dbraw/zinc/29/18/48/601291848.db2.gz WKGDCKWIDOWQKI-UHFFFAOYSA-N -1 0 332.359 3.723 20 0 EHADRM CSc1ccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1Cl ZINC000180120606 601292800 /nfs/dbraw/zinc/29/28/00/601292800.db2.gz BRRWWMHGPWVPOF-NXEZZACHSA-N -1 0 327.833 3.891 20 0 EHADRM CSc1ccc(NC(=O)[C@H](CC(C)C)NC(=O)[O-])cc1Cl ZINC000832781318 601293582 /nfs/dbraw/zinc/29/35/82/601293582.db2.gz SKTLCBPEGORJEM-NSHDSACASA-N -1 0 330.837 3.683 20 0 EHADRM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)Nc1ccccc1C(=O)[O-] ZINC000828150945 601294020 /nfs/dbraw/zinc/29/40/20/601294020.db2.gz SFZHRTWFUHBZRJ-GDBMZVCRSA-N -1 0 338.407 3.870 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)CCCc1cccs1)c1ccccc1 ZINC000237655517 601298903 /nfs/dbraw/zinc/29/89/03/601298903.db2.gz UQHKYBNRVHVEEJ-CXAGYDPISA-N -1 0 331.437 3.649 20 0 EHADRM Cc1ccc(NCC(=O)Nc2ccc(F)cc2Cl)cc1C(=O)[O-] ZINC000832951847 601302678 /nfs/dbraw/zinc/30/26/78/601302678.db2.gz LRLLEJZOHPVGJS-UHFFFAOYSA-N -1 0 336.750 3.536 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Cc1csc(-c2ccccc2)n1 ZINC000262061943 601304233 /nfs/dbraw/zinc/30/42/33/601304233.db2.gz HESLLOOREHIDMR-UHFFFAOYSA-N -1 0 346.452 3.502 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(Br)cc1C ZINC000262100045 601309005 /nfs/dbraw/zinc/30/90/05/601309005.db2.gz GSBOECUBSAYVJN-UHFFFAOYSA-N -1 0 342.233 3.521 20 0 EHADRM CC(C)c1cc(NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)n[nH]1 ZINC000827113040 601312314 /nfs/dbraw/zinc/31/23/14/601312314.db2.gz UKWMSSMFUAUGFA-UHFFFAOYSA-N -1 0 330.388 3.539 20 0 EHADRM Cn1c(/C(Cl)=C\c2ccc(C(=O)[O-])[nH]2)nc2cc(Cl)ccc21 ZINC000833038346 601331979 /nfs/dbraw/zinc/33/19/79/601331979.db2.gz CKPYSDRTNKGLRF-JXMROGBWSA-N -1 0 336.178 3.990 20 0 EHADRM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000828151739 601333061 /nfs/dbraw/zinc/33/30/61/601333061.db2.gz ZUDPXQXLDSAHKY-DOMZBBRYSA-N -1 0 342.370 3.934 20 0 EHADRM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000828151740 601333289 /nfs/dbraw/zinc/33/32/89/601333289.db2.gz ZUDPXQXLDSAHKY-IUODEOHRSA-N -1 0 342.370 3.934 20 0 EHADRM Cc1[nH]c(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)c(C)c1C(=O)[O-] ZINC000832844195 601335789 /nfs/dbraw/zinc/33/57/89/601335789.db2.gz XQXOJKVMHSPXSR-OAHLLOKOSA-N -1 0 344.386 3.836 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000828201942 601336511 /nfs/dbraw/zinc/33/65/11/601336511.db2.gz XZNUDGCCUBBBIF-UKPHBRMFSA-N -1 0 330.428 3.889 20 0 EHADRM Cc1cccc([C@@H](NC(=O)N2CCC(CC(=O)[O-])CC2)C(C)(C)C)c1 ZINC000832964311 601338262 /nfs/dbraw/zinc/33/82/62/601338262.db2.gz GDWZMKSBCVUPIW-GOSISDBHSA-N -1 0 346.471 3.979 20 0 EHADRM CCS[C@H](c1nc(COc2cccc(C(=O)[O-])c2)no1)C(C)C ZINC000830151111 601367043 /nfs/dbraw/zinc/36/70/43/601367043.db2.gz UZIWBJODEJSKTB-AWEZNQCLSA-N -1 0 336.413 3.797 20 0 EHADRM CCOc1ccc(NC(=S)Nc2ccccc2CC(=O)[O-])cc1 ZINC000818244773 601367122 /nfs/dbraw/zinc/36/71/22/601367122.db2.gz LHQJGFFSPOWJMM-UHFFFAOYSA-N -1 0 330.409 3.521 20 0 EHADRM Cc1ccc(NC(=O)COc2ccccc2NC(=O)[O-])cc1Cl ZINC000832943984 601369213 /nfs/dbraw/zinc/36/92/13/601369213.db2.gz PWLPZLQIOOTTST-UHFFFAOYSA-N -1 0 334.759 3.756 20 0 EHADRM C[C@H]1CCCN1c1cc(C(=O)[O-])nc2ccc(Br)cc21 ZINC000828272257 601378291 /nfs/dbraw/zinc/37/82/91/601378291.db2.gz YPFPJADOPRDBAH-VIFPVBQESA-N -1 0 335.201 3.684 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=S)Nc1ccc(F)c(Cl)c1 ZINC000828796820 601378305 /nfs/dbraw/zinc/37/83/05/601378305.db2.gz QBLQNMOHQLSSNS-UHFFFAOYSA-N -1 0 332.828 3.799 20 0 EHADRM COc1ccc(CN[C@@H](C(=O)[O-])c2cc(F)ccc2F)c(Cl)c1 ZINC000683174656 601379986 /nfs/dbraw/zinc/37/99/86/601379986.db2.gz WEZOHVYSZZYXRF-OAHLLOKOSA-N -1 0 341.741 3.542 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1cc(NC(=O)C2CC2)ccc1C ZINC000830378893 601390057 /nfs/dbraw/zinc/39/00/57/601390057.db2.gz ANIMJIRARKRKFB-UHFFFAOYSA-N -1 0 342.395 3.809 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1cccc(NC(=O)C(C)C)c1 ZINC000830379385 601390376 /nfs/dbraw/zinc/39/03/76/601390376.db2.gz UGSAXOBTLNLKDH-UHFFFAOYSA-N -1 0 330.384 3.747 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1ccc(C)c(NC(C)=O)c1C ZINC000830379413 601391211 /nfs/dbraw/zinc/39/12/11/601391211.db2.gz VGJMTGQFUDWDOS-UHFFFAOYSA-N -1 0 330.384 3.728 20 0 EHADRM CCCOc1cccc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000236874108 601391581 /nfs/dbraw/zinc/39/15/81/601391581.db2.gz CPIAZFISZHJZDB-RDTXWAMCSA-N -1 0 341.407 3.667 20 0 EHADRM CSc1ccc(C)c(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000237317405 601391899 /nfs/dbraw/zinc/39/18/99/601391899.db2.gz BYQFGWFLNCLISL-CXAGYDPISA-N -1 0 343.448 3.909 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)/C=C\c1ccc(Cl)s1)c1ccccc1 ZINC000767074340 601394131 /nfs/dbraw/zinc/39/41/31/601394131.db2.gz PVAKHAJNBSSDAX-UCOSUTLCSA-N -1 0 349.839 3.993 20 0 EHADRM C[C@H](C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)c1ccc(Cl)s1 ZINC000248535213 601394937 /nfs/dbraw/zinc/39/49/37/601394937.db2.gz KAYYLYZWNOIDRB-BJDJZHNGSA-N -1 0 341.860 3.749 20 0 EHADRM C/C(=C\COC(=O)c1cc2c3ccccc3n(C)c2s1)C(=O)[O-] ZINC000825775658 601404763 /nfs/dbraw/zinc/40/47/63/601404763.db2.gz XSHREQFGESVLRZ-JXMROGBWSA-N -1 0 329.377 3.581 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000828765096 601406499 /nfs/dbraw/zinc/40/64/99/601406499.db2.gz VYKWMYRTHXEASI-ZDUSSCGKSA-N -1 0 342.395 3.884 20 0 EHADRM CCCN(C(=O)NCC1(C(=O)[O-])CCCC1)[C@@H]1CCc2ccccc21 ZINC000829452656 601421481 /nfs/dbraw/zinc/42/14/81/601421481.db2.gz FTJUUMNFECKGSQ-QGZVFWFLSA-N -1 0 344.455 3.741 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000829027519 601422754 /nfs/dbraw/zinc/42/27/54/601422754.db2.gz OHHKYEWZUBTSFV-INIZCTEOSA-N -1 0 332.444 3.814 20 0 EHADRM CCN(Cc1ccc(Cl)cc1)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000829718375 601423918 /nfs/dbraw/zinc/42/39/18/601423918.db2.gz JGZJPYKGBADNPI-UHFFFAOYSA-N -1 0 338.835 3.517 20 0 EHADRM Cc1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1C(=O)[O-] ZINC000391576032 601427467 /nfs/dbraw/zinc/42/74/67/601427467.db2.gz UPHPGILAMNXTDH-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)CCc2ccc(C(=O)[O-])cc2)ccc1F ZINC000832870566 601428403 /nfs/dbraw/zinc/42/84/03/601428403.db2.gz KGZIFPSVARWSCG-CYBMUJFWSA-N -1 0 329.371 3.642 20 0 EHADRM C[C@@H](CC(=O)NC1(CC(=O)[O-])CCC1)c1ccc(C(F)(F)F)cc1 ZINC000262504065 601436448 /nfs/dbraw/zinc/43/64/48/601436448.db2.gz ITSMWMXQGIVEQA-NSHDSACASA-N -1 0 343.345 3.713 20 0 EHADRM O=C([O-])c1ccccc1NCc1nc(-c2cccc(Cl)c2)no1 ZINC000833335663 601441186 /nfs/dbraw/zinc/44/11/86/601441186.db2.gz ZJACAUBIHXDWQX-UHFFFAOYSA-N -1 0 329.743 3.700 20 0 EHADRM O=C([O-])CCN(C(=O)C/C=C/c1cccc(F)c1)c1cccc(F)c1 ZINC000833231338 601449222 /nfs/dbraw/zinc/44/92/22/601449222.db2.gz QJCPMKGBVBROCW-GORDUTHDSA-N -1 0 345.345 3.876 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)c3ncoc3C(C)C)ccc2n1C ZINC000832852379 601449953 /nfs/dbraw/zinc/44/99/53/601449953.db2.gz UJKIBRRGOBVAPG-UHFFFAOYSA-N -1 0 342.351 3.516 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cc2coc3cc(F)ccc23)c(F)c1 ZINC000343101274 601450326 /nfs/dbraw/zinc/45/03/26/601450326.db2.gz ZJIYPUSRDUQJAI-UHFFFAOYSA-N -1 0 331.274 3.590 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)C[C@H](C)n3cccc3)ccc2n1C ZINC000832851564 601450637 /nfs/dbraw/zinc/45/06/37/601450637.db2.gz UHPITMCRFYMVHN-LBPRGKRZSA-N -1 0 340.379 3.543 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@H](C)Oc1cccc(Cl)c1Cl ZINC000237023885 601468079 /nfs/dbraw/zinc/46/80/79/601468079.db2.gz SBKJJJVZNIKITN-VFZGTOFNSA-N -1 0 348.226 3.520 20 0 EHADRM O=C([O-])[C@@H](OC(=O)C/C=C/c1ccc(F)cc1)c1ccc(F)cc1 ZINC000833097059 601470863 /nfs/dbraw/zinc/47/08/63/601470863.db2.gz ZMXXLYBWRQQIHR-IMLGJKEDSA-N -1 0 332.302 3.737 20 0 EHADRM CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000830158568 601478114 /nfs/dbraw/zinc/47/81/14/601478114.db2.gz XZWMDYIBYQUCOU-JSGCOSHPSA-N -1 0 340.420 3.710 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)Nc2cccc(C(F)F)c2)CC1 ZINC000386262466 601486040 /nfs/dbraw/zinc/48/60/40/601486040.db2.gz VZOZFXFKLOVMOK-UHFFFAOYSA-N -1 0 326.343 3.733 20 0 EHADRM CCC1CCC(NCc2ncc(-c3ccccc3)o2)(C(=O)[O-])CC1 ZINC000829108352 601494380 /nfs/dbraw/zinc/49/43/80/601494380.db2.gz YWNTXQTXEOIQIM-UHFFFAOYSA-N -1 0 328.412 3.855 20 0 EHADRM CC(C)C(=O)Nc1ccc(OC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000826658598 601517792 /nfs/dbraw/zinc/51/77/92/601517792.db2.gz SBKKLBPMVKVAMI-UHFFFAOYSA-N -1 0 342.351 3.590 20 0 EHADRM Cc1cc2occ(CC(=O)N[C@@H](CC(=O)[O-])C3CC3)c2cc1C(C)C ZINC000767071048 601529888 /nfs/dbraw/zinc/52/98/88/601529888.db2.gz DFIPDEDCWDFXMF-KRWDZBQOSA-N -1 0 343.423 3.777 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)cc1 ZINC000237584310 601531345 /nfs/dbraw/zinc/53/13/45/601531345.db2.gz DRKVTVOCIMTUMD-HNNXBMFYSA-N -1 0 341.407 3.566 20 0 EHADRM CC[C@](NC(=O)C1(Cc2ccccc2)CC1)(C(=O)[O-])c1ccccc1 ZINC000828914610 601558642 /nfs/dbraw/zinc/55/86/42/601558642.db2.gz IBWMDXDAISEQOI-OAQYLSRUSA-N -1 0 337.419 3.516 20 0 EHADRM CC[C@H]1CCCCCN1C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000237030732 601565201 /nfs/dbraw/zinc/56/52/01/601565201.db2.gz USLWWGJZFZMJEG-INIZCTEOSA-N -1 0 333.428 3.562 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)/C=C/SCc2ccco2)cc1 ZINC000238030907 601571967 /nfs/dbraw/zinc/57/19/67/601571967.db2.gz YBUYEDUEKDUNNX-PKNBQFBNSA-N -1 0 331.393 3.682 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2ccccc2o1)c1ccc(Cl)cc1 ZINC000345752335 601582720 /nfs/dbraw/zinc/58/27/20/601582720.db2.gz SEMPSPUTBZYTKX-OAHLLOKOSA-N -1 0 329.739 3.642 20 0 EHADRM C[C@@H](CC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1)c1cccc(F)c1 ZINC000539567199 601583286 /nfs/dbraw/zinc/58/32/86/601583286.db2.gz DDFGVJHYFVFUPA-GTNSWQLSSA-N -1 0 349.789 3.915 20 0 EHADRM Cc1cccc2cc(C(=O)N[C@H](C(=O)[O-])c3ccc(Cl)cc3)oc21 ZINC000539567938 601585971 /nfs/dbraw/zinc/58/59/71/601585971.db2.gz BHQXTVVTOWGUPY-HNNXBMFYSA-N -1 0 343.766 3.950 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccc(C2CC2)cn1)c1cccc(Cl)c1 ZINC000833352134 601600308 /nfs/dbraw/zinc/60/03/08/601600308.db2.gz ZOYURJVVEQCUPW-HNNXBMFYSA-N -1 0 331.755 3.595 20 0 EHADRM O=C([O-])C1(CNC(=O)CCSc2ccc(Cl)cc2)CCCC1 ZINC000387539100 601603409 /nfs/dbraw/zinc/60/34/09/601603409.db2.gz USYPGWULIXXEJU-UHFFFAOYSA-N -1 0 341.860 3.583 20 0 EHADRM C[C@@H](OC(=O)CCc1cn(C)c2ccccc12)c1ccc(C(=O)[O-])o1 ZINC000827833615 601609008 /nfs/dbraw/zinc/60/90/08/601609008.db2.gz KXRXQPKYVBHVFX-GFCCVEGCSA-N -1 0 341.363 3.707 20 0 EHADRM CCSCc1ccc(C(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000236864509 601612681 /nfs/dbraw/zinc/61/26/81/601612681.db2.gz AHPXYUKYBANXQH-UHFFFAOYSA-N -1 0 329.421 3.819 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)CSc1ccc(Cl)cc1 ZINC000238076906 601614105 /nfs/dbraw/zinc/61/41/05/601614105.db2.gz YLMWVPIWCJPANY-UHFFFAOYSA-N -1 0 335.812 3.698 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000238087388 601614812 /nfs/dbraw/zinc/61/48/12/601614812.db2.gz JQOYIPIXVWPUIC-GJZGRUSLSA-N -1 0 329.783 3.709 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000237445535 601616325 /nfs/dbraw/zinc/61/63/25/601616325.db2.gz QYJACYYQZGFBQG-CYBMUJFWSA-N -1 0 329.421 3.681 20 0 EHADRM Cc1ccc(CCC(=O)Nc2ccccc2CC(=O)[O-])cc1Cl ZINC000321230479 601617663 /nfs/dbraw/zinc/61/76/63/601617663.db2.gz MINQARCUJDFFTL-UHFFFAOYSA-N -1 0 331.799 3.847 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)Nc1ccc2c(c1)oc1ccccc12)C1CC1 ZINC000833198809 601619357 /nfs/dbraw/zinc/61/93/57/601619357.db2.gz LITGVWFYKYKIOZ-OAHLLOKOSA-N -1 0 338.363 3.961 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000013256791 601621268 /nfs/dbraw/zinc/62/12/68/601621268.db2.gz IETXGRNVTOMRII-INIZCTEOSA-N -1 0 349.789 3.744 20 0 EHADRM COCCn1c(C)c(C)nc1SCc1cc(C(=O)[O-])sc1C ZINC000831800443 601623372 /nfs/dbraw/zinc/62/33/72/601623372.db2.gz NMVMISWRLITTHR-UHFFFAOYSA-N -1 0 340.470 3.507 20 0 EHADRM C[C@H](c1ccco1)N(C(=O)Nc1ccc(C(=O)[O-])cc1F)C1CC1 ZINC000827956582 601623880 /nfs/dbraw/zinc/62/38/80/601623880.db2.gz IETKQSLKWPHKBJ-SNVBAGLBSA-N -1 0 332.331 3.874 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000325262331 601626913 /nfs/dbraw/zinc/62/69/13/601626913.db2.gz JVZDHOWDTAQRJY-CJNGLKHVSA-N -1 0 330.428 3.845 20 0 EHADRM CCCCC[C@@H](NC(=O)c1ccc(-c2ccsc2)nc1C)C(=O)[O-] ZINC000761846650 601642922 /nfs/dbraw/zinc/64/29/22/601642922.db2.gz PMVLOLOYDARZFL-MRXNPFEDSA-N -1 0 346.452 3.882 20 0 EHADRM C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000541574587 601645286 /nfs/dbraw/zinc/64/52/86/601645286.db2.gz HCCAFMNCPLWLQY-LBPRGKRZSA-N -1 0 347.411 3.820 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)CCCc1csc2ccccc12)C(=O)[O-] ZINC000236998995 601648731 /nfs/dbraw/zinc/64/87/31/601648731.db2.gz AJSMZUZPQCGFAM-PXAZEXFGSA-N -1 0 333.453 3.840 20 0 EHADRM CC(C)[C@@H](NC(=O)CCCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000236819780 601648985 /nfs/dbraw/zinc/64/89/85/601648985.db2.gz LWKHJIDSNXKQSX-LLVKDONJSA-N -1 0 338.256 3.603 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)c1cc(-c2ccc(F)cc2)c(C)s1 ZINC000236826830 601669412 /nfs/dbraw/zinc/66/94/12/601669412.db2.gz PFBUEPWLARVWCC-UHFFFAOYSA-N -1 0 335.400 3.799 20 0 EHADRM CC[C@@](C)(NC(=O)c1cc(-c2ccc(F)cc2)c(C)s1)C(=O)[O-] ZINC000262236410 601672187 /nfs/dbraw/zinc/67/21/87/601672187.db2.gz XLNBJMYEGXFTDI-QGZVFWFLSA-N -1 0 335.400 3.846 20 0 EHADRM CCCCC[C@@H](NC(=O)c1c(Cl)c2ccccc2n1C)C(=O)[O-] ZINC000236842387 601673019 /nfs/dbraw/zinc/67/30/19/601673019.db2.gz UTKBABKMAYEDEI-GFCCVEGCSA-N -1 0 336.819 3.595 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000833289055 601674116 /nfs/dbraw/zinc/67/41/16/601674116.db2.gz DQLNHKRZECQOHB-CMPLNLGQSA-N -1 0 344.333 3.875 20 0 EHADRM CC[C@@H](NC(=O)CCCc1ccc2c(c1)-c1ccccc1C2)C(=O)[O-] ZINC000431688201 601678177 /nfs/dbraw/zinc/67/81/77/601678177.db2.gz TUFXCANTUJVLLT-LJQANCHMSA-N -1 0 337.419 3.560 20 0 EHADRM Cc1cc(C)c2nc(C3CC3)cc(C(=O)NCCCCC(=O)[O-])c2c1 ZINC000237624441 601678865 /nfs/dbraw/zinc/67/88/65/601678865.db2.gz JTLQYTGUWNTNMG-UHFFFAOYSA-N -1 0 340.423 3.714 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@H]2C[C@H]2Cc2ccccc2)cc1 ZINC000826112897 601681133 /nfs/dbraw/zinc/68/11/33/601681133.db2.gz AFYWAXVPFSMOBJ-QAPCUYQASA-N -1 0 337.419 3.866 20 0 EHADRM O=C([O-])[C@@]1(F)CCN(C(=O)Nc2ccc3oc4ccccc4c3c2)C1 ZINC000833157939 601685414 /nfs/dbraw/zinc/68/54/14/601685414.db2.gz KBYFIPVGXDEEIE-GOSISDBHSA-N -1 0 342.326 3.617 20 0 EHADRM O=C([O-])[C@]1(F)CCN(C(=O)Nc2ccc(-c3ccccc3)cc2F)C1 ZINC000833153477 601691176 /nfs/dbraw/zinc/69/11/76/601691176.db2.gz OCSIBKZYXIEEMF-SFHVURJKSA-N -1 0 346.333 3.523 20 0 EHADRM Cc1ccc2cc(C(=O)N[C@@H](C(=O)[O-])c3ccc(Cl)cc3)[nH]c2c1 ZINC000537361857 601698856 /nfs/dbraw/zinc/69/88/56/601698856.db2.gz AWBMOELEDNYEDU-MRXNPFEDSA-N -1 0 342.782 3.685 20 0 EHADRM Cc1ccc(C)c(OCCC(=O)OCc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000832926215 601705859 /nfs/dbraw/zinc/70/58/59/601705859.db2.gz JXGWUIBJLUKSEH-UHFFFAOYSA-N -1 0 346.354 3.653 20 0 EHADRM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000832856747 601706926 /nfs/dbraw/zinc/70/69/26/601706926.db2.gz SPKOWGVCGVEYFT-HNNXBMFYSA-N -1 0 346.471 3.826 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000262795757 601708921 /nfs/dbraw/zinc/70/89/21/601708921.db2.gz QPRSGGMBZQLJTI-LJQANCHMSA-N -1 0 341.338 3.533 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2ccc(Cl)cc2F)cc1F ZINC000833316121 601713415 /nfs/dbraw/zinc/71/34/15/601713415.db2.gz QQWCEXALTOCFPW-UHFFFAOYSA-N -1 0 326.682 3.673 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2ccc(CC(F)(F)F)cc2)CCCC1 ZINC000833136699 601726753 /nfs/dbraw/zinc/72/67/53/601726753.db2.gz VNZQQZSUIVSWHP-UHFFFAOYSA-N -1 0 344.333 3.558 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1ncoc1-c1ccccc1 ZINC000833030849 601729058 /nfs/dbraw/zinc/72/90/58/601729058.db2.gz DKJPNGUTODDCJW-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)[C@@H]1SCCc2ccccc21 ZINC000833032065 601732355 /nfs/dbraw/zinc/73/23/55/601732355.db2.gz SJIITGBPNFTWFM-OAHLLOKOSA-N -1 0 348.445 3.829 20 0 EHADRM C[C@@H](CCOc1ccccc1)C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000827422059 601732676 /nfs/dbraw/zinc/73/26/76/601732676.db2.gz JKYYSRHZAAIWIE-ZDUSSCGKSA-N -1 0 346.354 3.672 20 0 EHADRM Cc1nc(CCCC(=O)OCc2cc(C(=O)[O-])sc2C)cs1 ZINC000832998344 601733491 /nfs/dbraw/zinc/73/34/91/601733491.db2.gz OPKAQDHGVLMGDK-UHFFFAOYSA-N -1 0 339.438 3.586 20 0 EHADRM CC1(C)CN(C(=O)c2ccc(C(=O)[O-])cc2)c2ccccc2S1 ZINC000828074284 601739562 /nfs/dbraw/zinc/73/95/62/601739562.db2.gz DTMFDRZPIDXAPV-UHFFFAOYSA-N -1 0 327.405 3.916 20 0 EHADRM CC(C)[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000678989101 601741506 /nfs/dbraw/zinc/74/15/06/601741506.db2.gz WNUUZDAJCNZSKC-VQIMIIECSA-N -1 0 343.398 3.898 20 0 EHADRM O=C([O-])CCCc1csc(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)n1 ZINC000833228904 601747167 /nfs/dbraw/zinc/74/71/67/601747167.db2.gz HFTRQJDNQULOIE-KGLIPLIRSA-N -1 0 336.457 3.705 20 0 EHADRM CCCCC[C@H](NC(=O)c1[nH]c2ccc(F)cc2c1Cl)C(=O)[O-] ZINC000776664871 601747705 /nfs/dbraw/zinc/74/77/05/601747705.db2.gz ZCTNEBVEXMLJNX-LBPRGKRZSA-N -1 0 340.782 3.724 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[O-] ZINC000316829359 601750100 /nfs/dbraw/zinc/75/01/00/601750100.db2.gz KQHDHDWJJCAMCY-UHFFFAOYSA-N -1 0 338.713 3.591 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(C(F)(F)F)cc1Cl)C(=O)[O-] ZINC000316818151 601756191 /nfs/dbraw/zinc/75/61/91/601756191.db2.gz JGXTZLVRFUXTFB-UHFFFAOYSA-N -1 0 338.713 3.591 20 0 EHADRM Cc1ccc(Nc2ccccc2C(=O)N2C[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000832950316 601757866 /nfs/dbraw/zinc/75/78/66/601757866.db2.gz JDZMKJFPEGFFEU-PBHICJAKSA-N -1 0 338.407 3.531 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccccc2Oc2ccccc2)C[C@H]1C(=O)[O-] ZINC000327560592 601772151 /nfs/dbraw/zinc/77/21/51/601772151.db2.gz DYEBCUYOBMPEDR-UKRRQHHQSA-N -1 0 340.379 3.663 20 0 EHADRM Cc1nn(Cc2cccc(C(F)(F)F)c2)c(C)c1[C@@H](C)C(=O)[O-] ZINC000833016952 601779770 /nfs/dbraw/zinc/77/97/70/601779770.db2.gz OVVOJUKJDCBSNY-SECBINFHSA-N -1 0 326.318 3.755 20 0 EHADRM Cc1nc(CNc2cc(C(=O)[O-])c(F)cc2Br)oc1C ZINC000832999907 601787814 /nfs/dbraw/zinc/78/78/14/601787814.db2.gz OLAQSRPAYPBTDE-UHFFFAOYSA-N -1 0 343.152 3.503 20 0 EHADRM COc1cccc([C@H](C)CC(=O)Nc2cccc(C(=O)[O-])c2C)c1 ZINC000678975592 601800995 /nfs/dbraw/zinc/80/09/95/601800995.db2.gz LIOCUDSXSZVKPA-GFCCVEGCSA-N -1 0 327.380 3.834 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)N[C@H](CC(=O)[O-])c2cccs2)c1 ZINC000237304672 601801021 /nfs/dbraw/zinc/80/10/21/601801021.db2.gz WIDNRFQNWLZHOC-SWLSCSKDSA-N -1 0 347.436 3.583 20 0 EHADRM Cc1cc(CCCC(=O)N(CC(=O)[O-])Cc2ccccc2)c(C)s1 ZINC000237603726 601801245 /nfs/dbraw/zinc/80/12/45/601801245.db2.gz OPLRXIACOABAGH-UHFFFAOYSA-N -1 0 345.464 3.801 20 0 EHADRM C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccccc1)c1ccc2ccccc2c1 ZINC000237477266 601802337 /nfs/dbraw/zinc/80/23/37/601802337.db2.gz YULYQGPJLFGLSW-AUUYWEPGSA-N -1 0 333.387 3.885 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2cccc(Cl)c2o1)c1cccs1 ZINC000833126899 601802640 /nfs/dbraw/zinc/80/26/40/601802640.db2.gz RLIWTENHQJSJQN-GFCCVEGCSA-N -1 0 335.768 3.703 20 0 EHADRM O=C([O-])c1sccc1CN1CCn2cccc2[C@H]1c1ccccc1 ZINC000833348113 601807003 /nfs/dbraw/zinc/80/70/03/601807003.db2.gz AHPGYZPVBMBEKU-QGZVFWFLSA-N -1 0 338.432 3.853 20 0 EHADRM Cc1cccc(-c2nnc(SCc3ccsc3C(=O)[O-])n2C)c1 ZINC000832961228 601807190 /nfs/dbraw/zinc/80/71/90/601807190.db2.gz PYXUMLMJWIQBHZ-UHFFFAOYSA-N -1 0 345.449 3.843 20 0 EHADRM O=C([O-])c1c(C2CC2)csc1NC(=O)Cc1c[nH]c2ccccc12 ZINC000833117031 601807275 /nfs/dbraw/zinc/80/72/75/601807275.db2.gz YDEJMXOOVZQKAO-UHFFFAOYSA-N -1 0 340.404 3.986 20 0 EHADRM CC(C)CCO[C@@H](C)C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000826855121 601807725 /nfs/dbraw/zinc/80/77/25/601807725.db2.gz CHEANQPYVWLVJI-JTQLQIEISA-N -1 0 325.430 3.713 20 0 EHADRM C[C@H](Oc1ccc(F)cc1)C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000827890007 601808080 /nfs/dbraw/zinc/80/80/80/601808080.db2.gz KGEKSJXIEQZLGM-VIFPVBQESA-N -1 0 349.383 3.869 20 0 EHADRM O=C([O-])c1c(C2CC2)csc1NC(=O)CCOc1ccc(F)cc1 ZINC000833102411 601809951 /nfs/dbraw/zinc/80/99/51/601809951.db2.gz CJSNACUQHSZBMH-UHFFFAOYSA-N -1 0 349.383 3.870 20 0 EHADRM COc1cccc([C@H](C)CC(=O)Oc2ccc(NC(=O)[O-])cc2)c1 ZINC000832533821 601811146 /nfs/dbraw/zinc/81/11/46/601811146.db2.gz QLQPDTFXIPVSAA-GFCCVEGCSA-N -1 0 329.352 3.884 20 0 EHADRM Cc1cc(CCCC(=O)NC[C@@H](CC(C)C)C(=O)[O-])c(C)s1 ZINC000262117605 601811849 /nfs/dbraw/zinc/81/18/49/601811849.db2.gz IMGGYTAAEMGIET-OAHLLOKOSA-N -1 0 325.474 3.551 20 0 EHADRM CCN(C(=O)CSCc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000829598042 601814148 /nfs/dbraw/zinc/81/41/48/601814148.db2.gz XQOXHZDBGOOXOJ-UHFFFAOYSA-N -1 0 347.411 3.810 20 0 EHADRM CC(C)=C(C)C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000826642206 601815974 /nfs/dbraw/zinc/81/59/74/601815974.db2.gz SCMMKRFMARZZFE-UHFFFAOYSA-N -1 0 330.153 3.581 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000050922331 601816525 /nfs/dbraw/zinc/81/65/25/601816525.db2.gz WOKPPQGKOZVGNN-UHFFFAOYSA-N -1 0 330.211 3.710 20 0 EHADRM CC(C)[C@@H](CC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccccc1 ZINC000539685968 601821131 /nfs/dbraw/zinc/82/11/31/601821131.db2.gz SDAUDXDKHPYUCM-GOSISDBHSA-N -1 0 331.456 3.920 20 0 EHADRM CCC[C@](C)(NCc1csc(CCc2ccccc2)n1)C(=O)[O-] ZINC000829203108 601839444 /nfs/dbraw/zinc/83/94/44/601839444.db2.gz URDNMAOMBXJHSH-SFHVURJKSA-N -1 0 332.469 3.661 20 0 EHADRM CC(C)CCc1noc(CSCc2ccc(C(=O)[O-])s2)n1 ZINC000826865783 601846143 /nfs/dbraw/zinc/84/61/43/601846143.db2.gz VGQPVRRTSDYQMO-UHFFFAOYSA-N -1 0 326.443 3.851 20 0 EHADRM C[C@@H](SCc1ccc(C(=O)[O-])s1)C(=O)N(C)Cc1ccccc1 ZINC000827908193 601847205 /nfs/dbraw/zinc/84/72/05/601847205.db2.gz GUIWJIJSRHHVMX-GFCCVEGCSA-N -1 0 349.477 3.727 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(-c3ccccc3F)on2)cc1F ZINC000767201933 601849649 /nfs/dbraw/zinc/84/96/49/601849649.db2.gz SMVWLVCAACEJBD-UHFFFAOYSA-N -1 0 344.273 3.570 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)NCc2cccc(C(=O)[O-])c2)c(C)c1 ZINC000666520323 601854004 /nfs/dbraw/zinc/85/40/04/601854004.db2.gz XMFNOLQDQCVWQJ-AWEZNQCLSA-N -1 0 326.396 3.562 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)c1cc(C)c(F)cc1Cl ZINC000831917178 601857321 /nfs/dbraw/zinc/85/73/21/601857321.db2.gz GBDJDHPZGKSTLZ-UHFFFAOYSA-N -1 0 338.718 3.714 20 0 EHADRM CCS[C@@H](C(=O)Oc1ccc(SCC(=O)[O-])cc1)C(C)C ZINC000830150464 601879405 /nfs/dbraw/zinc/87/94/05/601879405.db2.gz PHVHGUBGSKDBBL-CQSZACIVSA-N -1 0 328.455 3.546 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)Nc1ccc(F)cc1F ZINC000833156136 601884050 /nfs/dbraw/zinc/88/40/50/601884050.db2.gz BUOOAEUWMHZTSE-WCQYABFASA-N -1 0 326.343 3.510 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)Nc1nc(C2CC2)cs1 ZINC000833166464 601884562 /nfs/dbraw/zinc/88/45/62/601884562.db2.gz YSAWCFKLBVBNDC-VXGBXAGGSA-N -1 0 337.445 3.566 20 0 EHADRM C[C@@H]1CN(Cc2ccc(F)cc2C(=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000828457410 601884865 /nfs/dbraw/zinc/88/48/65/601884865.db2.gz UDZQKEYKZDKQLH-BZNIZROVSA-N -1 0 335.400 3.547 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@@H]1COc2c1cccc2Cl ZINC000832915715 601887273 /nfs/dbraw/zinc/88/72/73/601887273.db2.gz NKVVKKBNIDDVPM-CQSZACIVSA-N -1 0 346.770 3.602 20 0 EHADRM CN(C(=O)C1CCC(NC(=O)[O-])CC1)c1ccc(C(C)(C)C)cc1 ZINC000739573794 601890700 /nfs/dbraw/zinc/89/07/00/601890700.db2.gz MMTXTGKRPNWIPT-UHFFFAOYSA-N -1 0 332.444 3.773 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)c1cccc(F)c1Cl ZINC000262142742 601903105 /nfs/dbraw/zinc/90/31/05/601903105.db2.gz SFIKTZKLQDSEQR-GXFFZTMASA-N -1 0 327.783 3.633 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CNc1cccc(C(=O)[O-])c1 ZINC000827934726 601905661 /nfs/dbraw/zinc/90/56/61/601905661.db2.gz IREXYYHXUZMXFW-GFCCVEGCSA-N -1 0 346.814 3.670 20 0 EHADRM CC(C)N(C(=O)CSCc1ccc(C(=O)[O-])s1)C1CCCC1 ZINC000826924329 601911295 /nfs/dbraw/zinc/91/12/95/601911295.db2.gz CDMOEHGJIYCKAH-UHFFFAOYSA-N -1 0 341.498 3.859 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)Cc1cc2ccccc2o1 ZINC000833117465 601913385 /nfs/dbraw/zinc/91/33/85/601913385.db2.gz VSPWWJVGVRBNLJ-JKSUJKDBSA-N -1 0 329.396 3.515 20 0 EHADRM CC(C)C[C@H](C(=O)NCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000678933277 601924499 /nfs/dbraw/zinc/92/44/99/601924499.db2.gz PRTPAZUQVFEXOP-SFHVURJKSA-N -1 0 325.408 3.831 20 0 EHADRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)C(F)=C1CCCC1 ZINC000833249491 601941101 /nfs/dbraw/zinc/94/11/01/601941101.db2.gz RPCYLKPBCASRMV-UHFFFAOYSA-N -1 0 325.767 3.551 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2CC3(CCC3)Oc3ccccc32)cc1 ZINC000833310188 601941905 /nfs/dbraw/zinc/94/19/05/601941905.db2.gz FAGIGQGIBFOFFA-INIZCTEOSA-N -1 0 337.375 3.561 20 0 EHADRM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)C(F)=C1CCCC1 ZINC000833233104 601942607 /nfs/dbraw/zinc/94/26/07/601942607.db2.gz AIFKXCAQYMUPIG-UHFFFAOYSA-N -1 0 341.329 3.566 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccn(C3CCCC3)n2)ccc1Cl ZINC000678980143 601962321 /nfs/dbraw/zinc/96/23/21/601962321.db2.gz UBNYEDXTTDAWFH-UHFFFAOYSA-N -1 0 333.775 3.602 20 0 EHADRM O=C([O-])Cc1cccc(NCc2ccc(F)c(Br)c2)c1 ZINC000738630230 601967673 /nfs/dbraw/zinc/96/76/73/601967673.db2.gz GSKBVCOPVDRJOI-UHFFFAOYSA-N -1 0 338.176 3.827 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CCOC2(C1)CCCCCC2 ZINC000832915992 601982166 /nfs/dbraw/zinc/98/21/66/601982166.db2.gz KXFGVQFIHAUZLV-UHFFFAOYSA-N -1 0 346.427 3.650 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2ccc(OC3CCCC3)cc2)cn1 ZINC000740712348 601994048 /nfs/dbraw/zinc/99/40/48/601994048.db2.gz PIDICZNWDGNBBS-UHFFFAOYSA-N -1 0 341.367 3.745 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)COC/C=C\c2ccccc2)ccc1F ZINC000833283492 601996135 /nfs/dbraw/zinc/99/61/35/601996135.db2.gz KTXQPBCDISSPCC-DAXSKMNVSA-N -1 0 344.342 3.584 20 0 EHADRM CC(C)C[C@H](C)CC(=O)N(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000826759580 601998550 /nfs/dbraw/zinc/99/85/50/601998550.db2.gz JAAAFJQYLYIZJT-QFYYESIMSA-N -1 0 345.361 3.760 20 0 EHADRM O=C([O-])c1ccc(COC(=O)Cc2cccc(C(F)(F)F)c2)s1 ZINC000833117280 601998794 /nfs/dbraw/zinc/99/87/94/601998794.db2.gz GPKOHQXEHHWWCW-UHFFFAOYSA-N -1 0 344.310 3.751 20 0 EHADRM O=C([O-])c1ccc(COC(=O)/C=C/c2ccc(Cl)s2)s1 ZINC000833095037 602000068 /nfs/dbraw/zinc/00/00/68/602000068.db2.gz OTTXHBWGZUWTJH-ZZXKWVIFSA-N -1 0 328.798 3.918 20 0 EHADRM C[C@H]1CCC[C@H]1NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000828245865 602002011 /nfs/dbraw/zinc/00/20/11/602002011.db2.gz OIGVAIZHIGTPPC-QPUJVOFHSA-N -1 0 330.306 3.714 20 0 EHADRM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1C(=O)c1cc2ccccc2s1 ZINC000739000239 602018470 /nfs/dbraw/zinc/01/84/70/602018470.db2.gz HJCSFEKWGXTNPU-AAEUAGOBSA-N -1 0 332.425 3.552 20 0 EHADRM COc1ccc(C)cc1NC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000832266060 602025886 /nfs/dbraw/zinc/02/58/86/602025886.db2.gz VIXQBTUWNFJBDH-KBPBESRZSA-N -1 0 334.416 3.549 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2CCC(Cc3ccccc3)CC2)c1 ZINC000740026964 602026725 /nfs/dbraw/zinc/02/67/25/602026725.db2.gz HNYLDWGWIZPTOG-UHFFFAOYSA-N -1 0 338.407 3.871 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)Nc1cccc(F)c1F ZINC000833158956 602036264 /nfs/dbraw/zinc/03/62/64/602036264.db2.gz RLUZMMVZPQDDIE-CMPLNLGQSA-N -1 0 326.343 3.510 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)Nc1cc(F)c(F)cc1F ZINC000833152990 602039598 /nfs/dbraw/zinc/03/95/98/602039598.db2.gz IEUVBCXKEYLSDQ-ZANVPECISA-N -1 0 344.333 3.649 20 0 EHADRM CCC[C@@H]1CCCN(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C1 ZINC000829256430 602041559 /nfs/dbraw/zinc/04/15/59/602041559.db2.gz PDWIMXHEXGOZKY-CQSZACIVSA-N -1 0 333.432 3.840 20 0 EHADRM O=C([O-])NC[C@@H]1CCN(C(=O)Nc2cccc(-c3cccs3)c2)C1 ZINC000740642608 602052085 /nfs/dbraw/zinc/05/20/85/602052085.db2.gz HIWRFXHQZFRDPI-LBPRGKRZSA-N -1 0 345.424 3.537 20 0 EHADRM O=C([O-])c1ccc(-c2csc(NC(=O)[C@@H]3CC34CCC4)n2)cc1 ZINC000833308804 602052646 /nfs/dbraw/zinc/05/26/46/602052646.db2.gz ULLUPHTXQVOLBK-LBPRGKRZSA-N -1 0 328.393 3.637 20 0 EHADRM C[C@@H](NC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC000261934798 602054883 /nfs/dbraw/zinc/05/48/83/602054883.db2.gz KEERYYLTYMNLBV-RFAUZJTJSA-N -1 0 345.226 3.561 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)c1cc(-c2cccs2)on1 ZINC000833132238 602055883 /nfs/dbraw/zinc/05/58/83/602055883.db2.gz YWNXVVDHERMLKH-NWDGAFQWSA-N -1 0 348.424 3.557 20 0 EHADRM CCC[C@H](NC(=O)N1CCC[C@H](CN(C)C(=O)[O-])C1)c1ccccc1 ZINC000739303998 602064325 /nfs/dbraw/zinc/06/43/25/602064325.db2.gz NLYSBGKERRJSNC-WBVHZDCISA-N -1 0 347.459 3.559 20 0 EHADRM CCCCc1ccc(CC(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000236898189 602066565 /nfs/dbraw/zinc/06/65/65/602066565.db2.gz HPZMRMXEOWODQL-UHFFFAOYSA-N -1 0 325.408 3.838 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000263119711 602068968 /nfs/dbraw/zinc/06/89/68/602068968.db2.gz CYFFPJXENMAQDV-UHFFFAOYSA-N -1 0 332.425 3.628 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2csc(-c3cccs3)n2)c1 ZINC000336868655 602069007 /nfs/dbraw/zinc/06/90/07/602069007.db2.gz VPOMFFKDURDQOQ-UHFFFAOYSA-N -1 0 344.417 3.751 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2cc3ccc(F)cc3s2)c1 ZINC000321506200 602071096 /nfs/dbraw/zinc/07/10/96/602071096.db2.gz DUCXZBLODZGSMN-UHFFFAOYSA-N -1 0 329.352 3.920 20 0 EHADRM C[C@@H](NC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1cccc(Cl)c1Cl ZINC000263261095 602082096 /nfs/dbraw/zinc/08/20/96/602082096.db2.gz QHYDDOAWIYLSQZ-PSLIRLAXSA-N -1 0 345.226 3.561 20 0 EHADRM Cc1coc(-c2cc(NC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)ccc2C)n1 ZINC000832987316 602083031 /nfs/dbraw/zinc/08/30/31/602083031.db2.gz DUBLPBLGDLFZDQ-ZIAGYGMSSA-N -1 0 342.395 3.788 20 0 EHADRM CC[C@@H]1CC[C@@H](C(=O)O[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)O1 ZINC000829082243 602088694 /nfs/dbraw/zinc/08/86/94/602088694.db2.gz SXEKFHJWJUEIAP-AGIUHOORSA-N -1 0 347.194 3.620 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)N1CC[C@H](c2ccccc2)C1 ZINC000402997448 602096058 /nfs/dbraw/zinc/09/60/58/602096058.db2.gz JRXBMZZYDPIJMJ-KRWDZBQOSA-N -1 0 332.444 3.611 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)N1CC[C@@H]1c1cccc(F)c1 ZINC000833224697 602097151 /nfs/dbraw/zinc/09/71/51/602097151.db2.gz QJOXHGQGUUDZNI-MRXNPFEDSA-N -1 0 336.407 3.707 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Nc2ccc3scnc3c2)c1 ZINC000738622998 602100149 /nfs/dbraw/zinc/10/01/49/602100149.db2.gz YRVFLSIVIDPQMT-UHFFFAOYSA-N -1 0 327.365 3.567 20 0 EHADRM C[C@@H](CC(=O)[O-])c1nc(-c2ccc(COc3ccccc3)cc2)no1 ZINC000827391605 602102828 /nfs/dbraw/zinc/10/28/28/602102828.db2.gz GVAMAFYWUCLFBG-ZDUSSCGKSA-N -1 0 338.363 3.894 20 0 EHADRM CCO[C@H]1C[C@H](N(C)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)C12CCC2 ZINC000829918091 602107644 /nfs/dbraw/zinc/10/76/44/602107644.db2.gz MRGOVIGKOCNEQE-HOTGVXAUSA-N -1 0 346.427 3.505 20 0 EHADRM O=C([O-])c1csc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC000833344049 602118176 /nfs/dbraw/zinc/11/81/76/602118176.db2.gz ZBBUIWMSTBZVSB-AATRIKPKSA-N -1 0 343.813 3.512 20 0 EHADRM C[C@H](SCC(=O)[O-])c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000827902849 602121954 /nfs/dbraw/zinc/12/19/54/602121954.db2.gz VJDGASBZFCEVEI-LURJTMIESA-N -1 0 333.196 3.922 20 0 EHADRM O=C([O-])Nc1cccc(NCc2nnc(-c3cccc(F)c3)o2)c1 ZINC000833288313 602127827 /nfs/dbraw/zinc/12/78/27/602127827.db2.gz CNKZGTQFGZTHPK-UHFFFAOYSA-N -1 0 328.303 3.578 20 0 EHADRM Cc1ccccc1-c1nc(CNc2ccc(CCC(=O)[O-])cc2)no1 ZINC000832975140 602128641 /nfs/dbraw/zinc/12/86/41/602128641.db2.gz PKWROGYVDVICEA-UHFFFAOYSA-N -1 0 337.379 3.674 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)Nc1cccc(CO[C@@H]2CCC[C@@H](C)C2)c1 ZINC000828246339 602129742 /nfs/dbraw/zinc/12/97/42/602129742.db2.gz UVJXCBNWURGKQA-CKEIUWERSA-N -1 0 333.428 3.831 20 0 EHADRM CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1cccc(-c2nccs2)c1 ZINC000739292703 602131695 /nfs/dbraw/zinc/13/16/95/602131695.db2.gz AJWSOICXOFFTDI-MRXNPFEDSA-N -1 0 333.413 3.575 20 0 EHADRM CSc1cc(C(=O)N(C)C(C)(C)C(=O)[O-])c(Cl)cc1Cl ZINC000262072573 602138314 /nfs/dbraw/zinc/13/83/14/602138314.db2.gz DCKUYQDVRRNIHT-UHFFFAOYSA-N -1 0 336.240 3.651 20 0 EHADRM CCC[C@@H](NC(=O)[C@H](C)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000829222867 602141164 /nfs/dbraw/zinc/14/11/64/602141164.db2.gz HFRYIRYPGYKVOE-ZWNOBZJWSA-N -1 0 331.334 3.774 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=S)Nc1ccccc1F)c1ccccc1 ZINC000826105749 602152206 /nfs/dbraw/zinc/15/22/06/602152206.db2.gz HZUVZWZFTLEZNR-OAHLLOKOSA-N -1 0 346.427 3.964 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)Nc1nc(-c2cc3ccccc3o2)cs1 ZINC000827325536 602154809 /nfs/dbraw/zinc/15/48/09/602154809.db2.gz VHBQKWRYDRQDKY-VIFPVBQESA-N -1 0 330.365 3.606 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cc(C(F)(F)F)ccc2F)CCCCC1 ZINC000325237139 602158921 /nfs/dbraw/zinc/15/89/21/602158921.db2.gz QNVRRKDITLANRV-UHFFFAOYSA-N -1 0 347.308 3.752 20 0 EHADRM CCCC1(C(=O)NC[C@@H](Cc2cccc3ccccc32)C(=O)[O-])CC1 ZINC000829231601 602160927 /nfs/dbraw/zinc/16/09/27/602160927.db2.gz YRWGVAVKPOQJSG-QGZVFWFLSA-N -1 0 339.435 3.780 20 0 EHADRM CCCOc1cccc(N[C@H](C(=O)[O-])c2cc(OC)cc(OC)c2)c1 ZINC000829542005 602166661 /nfs/dbraw/zinc/16/66/61/602166661.db2.gz ZUGUNTCYTNYLDQ-SFHVURJKSA-N -1 0 345.395 3.730 20 0 EHADRM COc1cc(OC)cc([C@@H](Nc2ccc(Cl)c(F)c2)C(=O)[O-])c1 ZINC000832067880 602167680 /nfs/dbraw/zinc/16/76/80/602167680.db2.gz SWMNSAFQIGCDGG-OAHLLOKOSA-N -1 0 339.750 3.734 20 0 EHADRM COc1cc(OC)cc([C@H](Nc2cccc([C@H](C)OC)c2)C(=O)[O-])c1 ZINC000832067835 602170709 /nfs/dbraw/zinc/17/07/09/602170709.db2.gz SDZZTEMDYITHHE-SGTLLEGYSA-N -1 0 345.395 3.649 20 0 EHADRM COc1nc(C(=O)Nc2ccccc2NC(=O)[O-])cc2ccccc21 ZINC000739982985 602172846 /nfs/dbraw/zinc/17/28/46/602172846.db2.gz DHNYTRAQSFSUKG-UHFFFAOYSA-N -1 0 337.335 3.586 20 0 EHADRM COc1ccccc1-c1ccc([C@H](C)NC(=O)[C@H](C)CC(=O)[O-])cc1 ZINC000832577288 602172847 /nfs/dbraw/zinc/17/28/47/602172847.db2.gz DWWUYKMMMAWMEE-KGLIPLIRSA-N -1 0 341.407 3.650 20 0 EHADRM C[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccccc1NC(=O)[O-] ZINC000739047290 602175002 /nfs/dbraw/zinc/17/50/02/602175002.db2.gz PYOMTUVMLWFGBF-LBPRGKRZSA-N -1 0 340.379 3.671 20 0 EHADRM CC(C)c1ccccc1OCC(=O)Nc1ccccc1NC(=O)[O-] ZINC000738875169 602179362 /nfs/dbraw/zinc/17/93/62/602179362.db2.gz BMXITOMADWPXDY-UHFFFAOYSA-N -1 0 328.368 3.917 20 0 EHADRM CSc1ccc(O[C@H](C)C(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000559378966 602179844 /nfs/dbraw/zinc/17/98/44/602179844.db2.gz INTCYQANYXYLIJ-SECBINFHSA-N -1 0 337.422 3.574 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)NC(C)(C)Cc1ccc(Cl)cc1Cl ZINC000827272040 602181369 /nfs/dbraw/zinc/18/13/69/602181369.db2.gz NCWATPSCJOPHHG-SECBINFHSA-N -1 0 332.227 3.542 20 0 EHADRM Cn1c(C(=O)Nc2cc(C(=O)[O-])cs2)ccc1-c1ccccc1 ZINC000762142181 602183143 /nfs/dbraw/zinc/18/31/43/602183143.db2.gz KEFGUTSGOHGZCE-UHFFFAOYSA-N -1 0 326.377 3.704 20 0 EHADRM C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000191349293 602184689 /nfs/dbraw/zinc/18/46/89/602184689.db2.gz KEIDGYLRNNPEAO-ZETCQYMHSA-N -1 0 343.763 3.645 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2cc3ccccc3c(Cl)n2)c1 ZINC000833342841 602185414 /nfs/dbraw/zinc/18/54/14/602185414.db2.gz YZVDPEIWDNMCLW-UHFFFAOYSA-N -1 0 332.768 3.900 20 0 EHADRM O=C([O-])c1csc(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)c1 ZINC000191330927 602186661 /nfs/dbraw/zinc/18/66/61/602186661.db2.gz FFJJKOYGPVIHPR-UHFFFAOYSA-N -1 0 334.784 3.762 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739956197 602198878 /nfs/dbraw/zinc/19/88/78/602198878.db2.gz TXQRIWWBLKFXMB-RAXLEYEMSA-N -1 0 340.379 3.505 20 0 EHADRM Cc1cccc(OCCCC(=O)Nc2cccc(CNC(=O)[O-])c2)c1 ZINC000740172215 602201719 /nfs/dbraw/zinc/20/17/19/602201719.db2.gz GCQDHPVFLYAEFZ-UHFFFAOYSA-N -1 0 342.395 3.560 20 0 EHADRM COc1cc(NC(=O)c2csc(C(C)(C)C)n2)ccc1NC(=O)[O-] ZINC000739867697 602234932 /nfs/dbraw/zinc/23/49/32/602234932.db2.gz DVRDMBPOEFPYJY-UHFFFAOYSA-N -1 0 349.412 3.791 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)Nc1ccccc1F)c1ccccc1 ZINC000826102696 602235256 /nfs/dbraw/zinc/23/52/56/602235256.db2.gz GEFRYTNSOHIJSK-HNNXBMFYSA-N -1 0 330.359 3.799 20 0 EHADRM CC(C)(C)c1nc(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])cs1 ZINC000738727608 602237038 /nfs/dbraw/zinc/23/70/38/602237038.db2.gz HNSZDWVSWZQFKY-UHFFFAOYSA-N -1 0 345.424 3.733 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N[C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000827271952 602239778 /nfs/dbraw/zinc/23/97/78/602239778.db2.gz MEXZNEAPHCJTRJ-DIFFPNOSSA-N -1 0 349.789 3.796 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)Cc2cc(C)ccc2C)c1 ZINC000739918366 602240415 /nfs/dbraw/zinc/24/04/15/602240415.db2.gz RXPOVZHYMJMDOH-UHFFFAOYSA-N -1 0 328.368 3.583 20 0 EHADRM CC[C@@H](Sc1nnc(-c2ccco2)n1-c1ccc(C)cc1)C(=O)[O-] ZINC000829020628 602243244 /nfs/dbraw/zinc/24/32/44/602243244.db2.gz IOFIHRCQRLWXMY-CQSZACIVSA-N -1 0 343.408 3.791 20 0 EHADRM C[C@@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC000237339869 602247270 /nfs/dbraw/zinc/24/72/70/602247270.db2.gz BNCFKVJAHLBDCD-LLVKDONJSA-N -1 0 349.839 3.835 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2ccc(Cl)o2)c2ccccc12 ZINC000237964589 602259410 /nfs/dbraw/zinc/25/94/10/602259410.db2.gz QKUHXFPCTBNIIG-UHFFFAOYSA-N -1 0 345.738 3.802 20 0 EHADRM C[C@@H](NC(=O)c1ccc(CNC(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000739022625 602259718 /nfs/dbraw/zinc/25/97/18/602259718.db2.gz IOIGKYNSYUDQLG-LLVKDONJSA-N -1 0 332.787 3.599 20 0 EHADRM O=C([O-])c1cccc(-c2nc(COC(=O)C3=CCCC3)cs2)c1 ZINC000833353184 602271936 /nfs/dbraw/zinc/27/19/36/602271936.db2.gz HEMRQRNCAAQTLB-UHFFFAOYSA-N -1 0 329.377 3.662 20 0 EHADRM CC(C)CC[C@H]1CCCCN1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000826844739 602275028 /nfs/dbraw/zinc/27/50/28/602275028.db2.gz HLXOUCYQKCEUJV-MRXNPFEDSA-N -1 0 348.443 3.973 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])c1ccccc1 ZINC000739268282 602277867 /nfs/dbraw/zinc/27/78/67/602277867.db2.gz QCIZZLUIMFBSBW-MRXNPFEDSA-N -1 0 339.395 4.000 20 0 EHADRM CC(C)Sc1ccccc1NC(=O)NCC1(C(=O)[O-])CCCC1 ZINC000827073148 602282203 /nfs/dbraw/zinc/28/22/03/602282203.db2.gz QRUIJPQVZLQIMY-UHFFFAOYSA-N -1 0 336.457 3.954 20 0 EHADRM Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)CCNC(=O)[O-] ZINC000738202775 602289319 /nfs/dbraw/zinc/28/93/19/602289319.db2.gz QIVOXWJYNLADGG-UHFFFAOYSA-N -1 0 332.787 3.912 20 0 EHADRM O=C([O-])c1csc(NC(=O)NCCc2cc3ccccc3o2)c1 ZINC000833145542 602290125 /nfs/dbraw/zinc/29/01/25/602290125.db2.gz KPQHZKCCNHFUKR-UHFFFAOYSA-N -1 0 330.365 3.557 20 0 EHADRM COc1ccc(C[C@H](C)OC(=O)Cc2ccc(NC(=O)[O-])cc2)cc1 ZINC000739895808 602293049 /nfs/dbraw/zinc/29/30/49/602293049.db2.gz QXIIEXAQRMXPMP-ZDUSSCGKSA-N -1 0 343.379 3.502 20 0 EHADRM Cc1oc(-c2ccsc2)nc1CN1CCCC[C@@H]1[C@@H](C)NC(=O)[O-] ZINC000740274747 602293255 /nfs/dbraw/zinc/29/32/55/602293255.db2.gz RZXVKYUZZATXHC-IAQYHMDHSA-N -1 0 349.456 3.722 20 0 EHADRM CCC1(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)CCC1 ZINC000829039262 602300205 /nfs/dbraw/zinc/30/02/05/602300205.db2.gz PTVIKWVZCVPYJC-UHFFFAOYSA-N -1 0 327.380 3.822 20 0 EHADRM CCC(CC)CC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000375418684 602303823 /nfs/dbraw/zinc/30/38/23/602303823.db2.gz ZTYVQFKDCNZOCB-UHFFFAOYSA-N -1 0 328.412 3.577 20 0 EHADRM C[C@H]1CC[C@@H](CC(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)C1 ZINC000828220760 602303863 /nfs/dbraw/zinc/30/38/63/602303863.db2.gz DGHFLYPXPKMFOD-QWHCGFSZSA-N -1 0 340.423 3.577 20 0 EHADRM CC/C(=C\C(=O)N(C)c1ncc(C(=O)[O-])s1)c1ccc(C)cc1 ZINC000828550084 602333578 /nfs/dbraw/zinc/33/35/78/602333578.db2.gz SBBFRVBDOMMALH-FMIVXFBMSA-N -1 0 330.409 3.606 20 0 EHADRM O=C([O-])c1sc2cccc(F)c2c1COC(=O)[C@@H]1CCSC1 ZINC000833347565 602344965 /nfs/dbraw/zinc/34/49/65/602344965.db2.gz LQLMFTJIGKZIRX-MRVPVSSYSA-N -1 0 340.397 3.535 20 0 EHADRM C[C@@H](Sc1ccccn1)C(=O)Oc1ccc(Cl)cc1C(=O)[O-] ZINC000827922814 602346705 /nfs/dbraw/zinc/34/67/05/602346705.db2.gz ZPBVSBNVFFIBDT-SECBINFHSA-N -1 0 337.784 3.519 20 0 EHADRM Cc1ccc(CC(=O)Nc2ccc(CCC(=O)[O-])cc2)c(Cl)c1 ZINC000832929370 602348715 /nfs/dbraw/zinc/34/87/15/602348715.db2.gz TZJLEJKWIMWRPA-UHFFFAOYSA-N -1 0 331.799 3.847 20 0 EHADRM C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000390976230 602356123 /nfs/dbraw/zinc/35/61/23/602356123.db2.gz DIEHGTCNHKMZLX-VIFPVBQESA-N -1 0 337.734 3.583 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCc2ccc(Cl)s2)cc1F ZINC000767204808 602359857 /nfs/dbraw/zinc/35/98/57/602359857.db2.gz CYCPBLMMTCJFIS-UHFFFAOYSA-N -1 0 327.764 3.810 20 0 EHADRM CC(C)C[C@H](NC(=O)C1CCC(NC(=O)[O-])CC1)c1ccccc1 ZINC000738805518 602363418 /nfs/dbraw/zinc/36/34/18/602363418.db2.gz BJJUSOLXBILTMW-JCYILVPMSA-N -1 0 332.444 3.716 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N(Cc2ccccc2)C2CC2)cc1F ZINC000383564425 602368825 /nfs/dbraw/zinc/36/88/25/602368825.db2.gz KSSVBDRMAFHCBI-UHFFFAOYSA-N -1 0 328.343 3.720 20 0 EHADRM CN(CC1CCN(c2cc3ccccc3c(Cl)n2)CC1)C(=O)[O-] ZINC000739665448 602375077 /nfs/dbraw/zinc/37/50/77/602375077.db2.gz WAEBVLZWHWTOIL-UHFFFAOYSA-N -1 0 333.819 3.714 20 0 EHADRM Cn1cc(NC(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)cc1C(=O)[O-] ZINC000833049948 602375601 /nfs/dbraw/zinc/37/56/01/602375601.db2.gz YLSPLCHOULXQGF-OAHLLOKOSA-N -1 0 347.390 3.771 20 0 EHADRM C[C@H]1Cc2ccccc2CN1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000828515325 602379730 /nfs/dbraw/zinc/37/97/30/602379730.db2.gz AOGFLRUMLGHETK-NSHDSACASA-N -1 0 328.343 3.503 20 0 EHADRM CCOc1cc(Cl)ccc1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000830049489 602381598 /nfs/dbraw/zinc/38/15/98/602381598.db2.gz DKPVTLRKIHECHG-UHFFFAOYSA-N -1 0 340.807 3.504 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CC[C@@H](c3ccccc3)C2)cc1F ZINC000392437486 602382608 /nfs/dbraw/zinc/38/26/08/602382608.db2.gz ROCKCTJQEPHDFL-CYBMUJFWSA-N -1 0 328.343 3.545 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CC[C@H](c3ccccc3F)C2)cc1F ZINC000833318737 602383782 /nfs/dbraw/zinc/38/37/82/602383782.db2.gz CLXZZCJNBQFAMQ-NSHDSACASA-N -1 0 346.333 3.684 20 0 EHADRM CC[C@H](c1ccncc1)N(C)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000829033827 602385659 /nfs/dbraw/zinc/38/56/59/602385659.db2.gz XZAXHXLCWSMQDQ-OAHLLOKOSA-N -1 0 331.347 3.534 20 0 EHADRM CCn1cc(CC(=O)Nc2ccc(C(=O)[O-])c(F)c2)c2ccccc21 ZINC000767200003 602394641 /nfs/dbraw/zinc/39/46/41/602394641.db2.gz BYWWYZHAENAMLL-UHFFFAOYSA-N -1 0 340.354 3.680 20 0 EHADRM Cc1ccc2[nH]c(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)cc2c1C ZINC000767200021 602394682 /nfs/dbraw/zinc/39/46/82/602394682.db2.gz DCKNJFMTDFBCHB-UHFFFAOYSA-N -1 0 326.327 3.874 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc2c(c1)-c1ccccc1C2)C1CCCC1 ZINC000833245662 602399629 /nfs/dbraw/zinc/39/96/29/602399629.db2.gz CCXYITTVSGABMF-UHFFFAOYSA-N -1 0 335.403 3.727 20 0 EHADRM O=C([O-])c1ccoc1CN[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000833335933 602401843 /nfs/dbraw/zinc/40/18/43/602401843.db2.gz GWPTYJRMUQGSFU-KRWDZBQOSA-N -1 0 342.782 3.905 20 0 EHADRM O=C([O-])N[C@H](CCc1nc(Cc2ccccc2)no1)c1ccccc1 ZINC000740541079 602405955 /nfs/dbraw/zinc/40/59/55/602405955.db2.gz VFWMICISOIHNHJ-MRXNPFEDSA-N -1 0 337.379 3.602 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc([C@H](C)Cc2cccc(F)c2)n1 ZINC000738815484 602407397 /nfs/dbraw/zinc/40/73/97/602407397.db2.gz GVHNCQOARAUATA-BXUZGUMPSA-N -1 0 335.379 3.910 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(-c2ccc(OC(C)C)cc2)n1 ZINC000738814930 602410070 /nfs/dbraw/zinc/41/00/70/602410070.db2.gz DOOYITICKDVULX-AWEZNQCLSA-N -1 0 333.388 3.879 20 0 EHADRM COc1ccc(O[C@@H](C)c2nc([C@@H](CC(C)C)NC(=O)[O-])no2)cc1 ZINC000739933726 602411181 /nfs/dbraw/zinc/41/11/81/602411181.db2.gz ZSRJPZOPHUUTLM-SMDDNHRTSA-N -1 0 349.387 3.573 20 0 EHADRM CCc1ccc(OCc2nc([C@@H](CC(C)C)NC(=O)[O-])no2)cc1 ZINC000739540559 602411269 /nfs/dbraw/zinc/41/12/69/602411269.db2.gz CIRJYGSOCPDSMZ-CQSZACIVSA-N -1 0 333.388 3.566 20 0 EHADRM O=C([O-])NC1(c2noc(-c3cccc(-n4cccc4)c3)n2)CCCC1 ZINC000740549505 602412420 /nfs/dbraw/zinc/41/24/20/602412420.db2.gz VCQFZKTVHPQHPR-UHFFFAOYSA-N -1 0 338.367 3.564 20 0 EHADRM Cc1cc(OCc2nc(C3(NC(=O)[O-])CCC3)no2)ccc1C(C)C ZINC000740091122 602416661 /nfs/dbraw/zinc/41/66/61/602416661.db2.gz KQICWTFCHSELSW-UHFFFAOYSA-N -1 0 345.399 3.727 20 0 EHADRM CCOc1ccc(NC(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000739506580 602453612 /nfs/dbraw/zinc/45/36/12/602453612.db2.gz MFRZFIBSGZLNJG-QGZVFWFLSA-N -1 0 342.395 3.813 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)NCCC1=CCCCC1)c1ccccc1 ZINC000740541020 602455221 /nfs/dbraw/zinc/45/52/21/602455221.db2.gz YNOANAVLFKWAEY-QGZVFWFLSA-N -1 0 330.428 3.782 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000738951012 602462129 /nfs/dbraw/zinc/46/21/29/602462129.db2.gz NIZZZOHMVXSREB-NSHDSACASA-N -1 0 331.397 3.538 20 0 EHADRM Cc1ccc2c(c1)[C@H](NC(=O)Nc1ccc(NC(=O)[O-])cc1)CC2 ZINC000738297861 602470350 /nfs/dbraw/zinc/47/03/50/602470350.db2.gz QGEKPYOPMGQARI-MRXNPFEDSA-N -1 0 325.368 3.894 20 0 EHADRM CCN(CCc1cccs1)C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739439099 602483951 /nfs/dbraw/zinc/48/39/51/602483951.db2.gz ILAAAIQSOJCEFS-UHFFFAOYSA-N -1 0 336.388 3.682 20 0 EHADRM CCOc1cc(NC(=O)c2ccc(F)c(NC(=O)[O-])c2)ccc1OC ZINC000739494992 602485526 /nfs/dbraw/zinc/48/55/26/602485526.db2.gz AGOBPAQAYGWZIS-UHFFFAOYSA-N -1 0 348.330 3.575 20 0 EHADRM O=C([O-])N1CCc2ccc(NC(=O)c3cncc4ccccc43)cc2C1 ZINC000740470382 602486876 /nfs/dbraw/zinc/48/68/76/602486876.db2.gz QARWNSNITZSATN-UHFFFAOYSA-N -1 0 347.374 3.523 20 0 EHADRM CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739258043 602488398 /nfs/dbraw/zinc/48/83/98/602488398.db2.gz BHFKKYOUQBYQIF-AWEZNQCLSA-N -1 0 330.359 3.667 20 0 EHADRM C[C@@H](NC(=O)CC[C@H](NC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000738962403 602488448 /nfs/dbraw/zinc/48/84/48/602488448.db2.gz WFQUZVWSWKMREH-PBHICJAKSA-N -1 0 326.396 3.653 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2cc(F)c(F)cc2F)ccc1F ZINC000740697260 602489003 /nfs/dbraw/zinc/48/90/03/602489003.db2.gz HTYLBGJINYNETA-UHFFFAOYSA-N -1 0 328.221 3.585 20 0 EHADRM O=C([O-])N1CCc2ccc(NC(=O)c3cccc4ncccc43)cc2C1 ZINC000740465400 602489040 /nfs/dbraw/zinc/48/90/40/602489040.db2.gz ICKMMXJFZBOHNV-UHFFFAOYSA-N -1 0 347.374 3.523 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)ccc1F ZINC000740695253 602496199 /nfs/dbraw/zinc/49/61/99/602496199.db2.gz GURJKJZWUHLHOP-ZJUUUORDSA-N -1 0 348.296 3.767 20 0 EHADRM Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000740115992 602499273 /nfs/dbraw/zinc/49/92/73/602499273.db2.gz HWPVJBYZNLSFIV-UHFFFAOYSA-N -1 0 340.379 3.995 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)c(C)c1 ZINC000740141811 602579796 /nfs/dbraw/zinc/57/97/96/602579796.db2.gz RTIXYOFOFVNSGU-WBVHZDCISA-N -1 0 345.443 3.690 20 0 EHADRM O=C([O-])NC[C@@H]1CCCN(C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000740626120 602580619 /nfs/dbraw/zinc/58/06/19/602580619.db2.gz UKSZGMKEVJJSLU-VIFPVBQESA-N -1 0 346.214 3.505 20 0 EHADRM C[C@H](CNC(=O)[O-])N(C)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000738934055 602597056 /nfs/dbraw/zinc/59/70/56/602597056.db2.gz PUIUNKZALDRPCJ-CYBMUJFWSA-N -1 0 343.383 3.599 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N2CCC[C@H]2c2ccncc2)cc1 ZINC000740710756 602601959 /nfs/dbraw/zinc/60/19/59/602601959.db2.gz YSUFLTCCWWKIMI-HNNXBMFYSA-N -1 0 326.356 3.541 20 0 EHADRM CC(C)Oc1cccc(OC(=O)Cc2ccc(NC(=O)[O-])cc2)c1 ZINC000738866124 602623493 /nfs/dbraw/zinc/62/34/93/602623493.db2.gz PDYNXHROVBVZFG-UHFFFAOYSA-N -1 0 329.352 3.712 20 0 EHADRM Cc1ncccc1C(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000740236984 602627382 /nfs/dbraw/zinc/62/73/82/602627382.db2.gz OXKPAZVWQJAWSR-UHFFFAOYSA-N -1 0 339.273 3.751 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)N(C1CC1)C1CCCC1)c1ccccc1 ZINC000740531178 602643300 /nfs/dbraw/zinc/64/33/00/602643300.db2.gz DQFWNJZQAZTVJO-QGZVFWFLSA-N -1 0 330.428 3.709 20 0 EHADRM Cc1ncc(C(=O)Nc2ccc(NC(=O)[O-])cc2C(F)(F)F)s1 ZINC000740233176 602643890 /nfs/dbraw/zinc/64/38/90/602643890.db2.gz ILSDPGAVTRHYHZ-UHFFFAOYSA-N -1 0 345.302 3.813 20 0 EHADRM Cc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000740080580 602645700 /nfs/dbraw/zinc/64/57/00/602645700.db2.gz CDNGWUPDXKJPLB-UHFFFAOYSA-N -1 0 340.788 3.539 20 0 EHADRM Cc1ccc(-c2csc(CN3CCC(NC(=O)[O-])CC3)n2)c(C)c1 ZINC000740094331 602650234 /nfs/dbraw/zinc/65/02/34/602650234.db2.gz IDKXFZXIWJNBOG-UHFFFAOYSA-N -1 0 345.468 3.659 20 0 EHADRM Cc1ccccc1-n1cc(C(=O)Nc2ccc(NC(=O)[O-])cc2)cn1 ZINC000738323494 602687031 /nfs/dbraw/zinc/68/70/31/602687031.db2.gz IDTKXFMOAUQACM-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000740714620 602696317 /nfs/dbraw/zinc/69/63/17/602696317.db2.gz VNBNCXAPFNTGTP-GHMZBOCLSA-N -1 0 332.306 3.797 20 0 EHADRM Cc1ccc(C)c(CSCc2nc(C(C)(C)NC(=O)[O-])no2)c1 ZINC000740116366 602724564 /nfs/dbraw/zinc/72/45/64/602724564.db2.gz UPDSMHQOQIFVML-UHFFFAOYSA-N -1 0 335.429 3.623 20 0 EHADRM Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(NC(=O)[O-])cc2)s1 ZINC000738350337 602731069 /nfs/dbraw/zinc/73/10/69/602731069.db2.gz UDEDZCDJKUOXCV-JTQLQIEISA-N -1 0 333.413 3.683 20 0 EHADRM Cc1cn(-c2ccccc2)nc1NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000738331285 602731100 /nfs/dbraw/zinc/73/11/00/602731100.db2.gz QGTXFTXNLZODNZ-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM CC(C)[C@@H](c1ccccc1)N(C)C(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000738800273 602732181 /nfs/dbraw/zinc/73/21/81/602732181.db2.gz MBOCWBFTSFMWJL-SFHVURJKSA-N -1 0 340.423 3.924 20 0 EHADRM CC(C)[C@H](c1ccccc1)N(C)C(=O)C1CCC(NC(=O)[O-])CC1 ZINC000738800290 602735701 /nfs/dbraw/zinc/73/57/01/602735701.db2.gz MKVDOTQEDXZBQK-OFLPRAFFSA-N -1 0 332.444 3.669 20 0 EHADRM COc1cccc(C[C@@H](C)NC(=O)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000738095281 602739223 /nfs/dbraw/zinc/73/92/23/602739223.db2.gz RXLAJFALZFXARW-GFCCVEGCSA-N -1 0 343.383 3.538 20 0 EHADRM CCOC(=O)[C@@H](Nc1ccc(OC)c(NC(=O)[O-])c1)c1ccccc1 ZINC000739467731 602744131 /nfs/dbraw/zinc/74/41/31/602744131.db2.gz GISZLUOFNKRNGF-INIZCTEOSA-N -1 0 344.367 3.501 20 0 EHADRM CCCN(C(=O)c1ccc(CNC(=O)[O-])o1)[C@@H]1CCc2ccccc21 ZINC000826884270 602762962 /nfs/dbraw/zinc/76/29/62/602762962.db2.gz LKUAQOMSSMCOQF-MRXNPFEDSA-N -1 0 342.395 3.587 20 0 EHADRM CC(C)(CCC(=O)NC(c1ccccc1)c1ccccc1)NC(=O)[O-] ZINC000738744002 602783474 /nfs/dbraw/zinc/78/34/74/602783474.db2.gz QTJOOGLCWLRNTR-UHFFFAOYSA-N -1 0 340.423 3.719 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1)NC(=O)[O-] ZINC000824696161 602804516 /nfs/dbraw/zinc/80/45/16/602804516.db2.gz QYSKHZNYTCHKAU-KGLIPLIRSA-N -1 0 341.411 3.844 20 0 EHADRM CC(C)(CCC(=O)Nc1ccnc(Oc2ccccc2)c1)NC(=O)[O-] ZINC000738744821 602806285 /nfs/dbraw/zinc/80/62/85/602806285.db2.gz RLDYYEUZGCNAJN-UHFFFAOYSA-N -1 0 343.383 3.639 20 0 EHADRM CC(C)[C@@H](NC(=O)C[C@@H](C)NC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000824615493 602817240 /nfs/dbraw/zinc/81/72/40/602817240.db2.gz UPJPGZWLXUCZDH-QMTHXVAHSA-N -1 0 346.349 3.565 20 0 EHADRM Cc1ccc(CC[C@H](C)NC(=O)c2ccc(F)c(NC(=O)[O-])c2)o1 ZINC000740123354 602818922 /nfs/dbraw/zinc/81/89/22/602818922.db2.gz AWYFWOSGFCUXQN-JTQLQIEISA-N -1 0 334.347 3.568 20 0 EHADRM CCN(Cc1cccc(NC(=O)[C@@H](C)c2cccs2)c1)C(=O)[O-] ZINC000739441442 602822816 /nfs/dbraw/zinc/82/28/16/602822816.db2.gz MNYGNHHHNZOKBY-LBPRGKRZSA-N -1 0 332.425 3.990 20 0 EHADRM Cc1cccc(N(C)C(=O)[C@@H](C)[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000830506281 602823750 /nfs/dbraw/zinc/82/37/50/602823750.db2.gz YHAVDMNCDBTCGO-WMLDXEAASA-N -1 0 326.396 3.603 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)N2CCC([C@@H](C)NC(=O)[O-])CC2)cc1 ZINC000739544504 602835534 /nfs/dbraw/zinc/83/55/34/602835534.db2.gz IVPNXBAKTZTFAV-LSDHHAIUSA-N -1 0 346.471 3.637 20 0 EHADRM CC(C)(C)CN(Cc1ccccc1)C(=O)c1ccc(CNC(=O)[O-])o1 ZINC000823766218 602850806 /nfs/dbraw/zinc/85/08/06/602850806.db2.gz KBFFNHDAOGJTET-UHFFFAOYSA-N -1 0 344.411 3.736 20 0 EHADRM CCCCCC[C@H](C)C(=O)N1CCC[C@H]([C@H]2CCCN2C(=O)[O-])C1 ZINC000739333538 602875185 /nfs/dbraw/zinc/87/51/85/602875185.db2.gz YABFAVYLXYIAEX-YESZJQIVSA-N -1 0 338.492 3.974 20 0 EHADRM C[C@@H](C(=O)Nc1cccc(CNC(=O)[O-])c1)c1cccc(Cl)c1 ZINC000738630010 602899245 /nfs/dbraw/zinc/89/92/45/602899245.db2.gz IWIMYGROKATCDL-LLVKDONJSA-N -1 0 332.787 3.850 20 0 EHADRM Cc1ccc(C(=O)NCCCc2cccc(F)c2)cc1NC(=O)[O-] ZINC000830217412 602901193 /nfs/dbraw/zinc/90/11/93/602901193.db2.gz WFZCPTTWAVFTNJ-UHFFFAOYSA-N -1 0 330.359 3.587 20 0 EHADRM CC(C)(CCC(=O)OCc1nc(-c2ccccc2)cs1)NC(=O)[O-] ZINC000738746831 602925995 /nfs/dbraw/zinc/92/59/95/602925995.db2.gz YTXXTHSBSVSLPS-UHFFFAOYSA-N -1 0 348.424 3.680 20 0 EHADRM COCc1cccc(NC(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])c1 ZINC000739843797 602951260 /nfs/dbraw/zinc/95/12/60/602951260.db2.gz VCVSZEVDYMLRJV-UHFFFAOYSA-N -1 0 341.367 3.518 20 0 EHADRM CC(C)(CC(=O)Nc1ccc(-c2ccccc2)cc1F)NC(=O)[O-] ZINC000738734461 602951766 /nfs/dbraw/zinc/95/17/66/602951766.db2.gz ILEYCQWKLXHVBF-UHFFFAOYSA-N -1 0 330.359 3.868 20 0 EHADRM COc1cc(C)c(NC(=O)Nc2ccc(NC(=O)[O-])cc2)cc1OC ZINC000737867426 602951922 /nfs/dbraw/zinc/95/19/22/602951922.db2.gz KDPJWXWLWMHUJM-UHFFFAOYSA-N -1 0 345.355 3.746 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Oc2ccc(NC(=O)[O-])cc2)s1 ZINC000738250810 602957476 /nfs/dbraw/zinc/95/74/76/602957476.db2.gz BCGJAIHQHYONPB-UHFFFAOYSA-N -1 0 333.365 3.715 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)CSc2nc3ccccc3o2)cc1 ZINC000738668470 602961296 /nfs/dbraw/zinc/96/12/96/602961296.db2.gz BEZLWEAIEPMLDG-UHFFFAOYSA-N -1 0 344.348 3.615 20 0 EHADRM COc1ccc(SCCC(=O)Oc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738106892 602963671 /nfs/dbraw/zinc/96/36/71/602963671.db2.gz ZLIYMCVEHOMTSH-UHFFFAOYSA-N -1 0 347.392 3.873 20 0 EHADRM CN(CCOc1cccc(Cl)c1)C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000738001207 602979971 /nfs/dbraw/zinc/97/99/71/602979971.db2.gz QFZHSQPCLCZOHW-UHFFFAOYSA-N -1 0 348.786 3.581 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@H]1C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000740574149 603009828 /nfs/dbraw/zinc/00/98/28/603009828.db2.gz ULVONIGOYGSQAG-SJORKVTESA-N -1 0 346.427 3.521 20 0 EHADRM CC(C)[C@H](C(=O)NC[C@@H](NC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000824057433 603010451 /nfs/dbraw/zinc/01/04/51/603010451.db2.gz RJLDLUYONLMURL-MSOLQXFVSA-N -1 0 340.423 3.551 20 0 EHADRM CC(C)c1ccc(OCCc2nc([C@@H](C)CN(C)C(=O)[O-])no2)cc1 ZINC000738875444 603015663 /nfs/dbraw/zinc/01/56/63/603015663.db2.gz INFUNWOWJMJLLC-ZDUSSCGKSA-N -1 0 347.415 3.528 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc([C@@H]2C[C@@H]2c2cccc(Cl)c2)n1 ZINC000738906629 603016213 /nfs/dbraw/zinc/01/62/13/603016213.db2.gz JILNZNBLTLEBCN-OASPWFOLSA-N -1 0 335.791 3.707 20 0 EHADRM Cc1cccc(F)c1CNC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000830505749 603018002 /nfs/dbraw/zinc/01/80/02/603018002.db2.gz NIKIOMDIWICBET-UHFFFAOYSA-N -1 0 336.750 3.807 20 0 EHADRM O=C([O-])Nc1cc(-c2nc(Cc3ccc(F)cc3)no2)ccc1F ZINC000740692910 603024354 /nfs/dbraw/zinc/02/43/54/603024354.db2.gz KBNBKAVPNAJLGV-UHFFFAOYSA-N -1 0 331.278 3.696 20 0 EHADRM C[C@@H](c1ccncc1)N(C)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739061237 603032438 /nfs/dbraw/zinc/03/24/38/603032438.db2.gz RXQVXXQVHPKYBV-JTQLQIEISA-N -1 0 332.335 3.536 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N2CCC[C@@H]2c2cccnc2)c1 ZINC000740707660 603034075 /nfs/dbraw/zinc/03/40/75/603034075.db2.gz SEJGFGWWSDDYKA-OAHLLOKOSA-N -1 0 344.346 3.680 20 0 EHADRM C[C@@H](Cc1cccs1)NC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000738948752 603036203 /nfs/dbraw/zinc/03/62/03/603036203.db2.gz KQELRMOKWRHHMV-VIFPVBQESA-N -1 0 337.376 3.730 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)NCCSc2ccccc2)c1 ZINC000740705984 603038957 /nfs/dbraw/zinc/03/89/57/603038957.db2.gz VPHFLYNRSQSQLF-UHFFFAOYSA-N -1 0 349.387 3.829 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)[C@@H]2CCSc3ccccc32)cc1 ZINC000827900942 603038993 /nfs/dbraw/zinc/03/89/93/603038993.db2.gz SRAPMXVTTUKTFA-OAHLLOKOSA-N -1 0 343.404 3.986 20 0 EHADRM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)CC2CCN(C(=O)[O-])CC2)C1 ZINC000739085726 603039079 /nfs/dbraw/zinc/03/90/79/603039079.db2.gz UWGPRILWCFAJQS-CXAGYDPISA-N -1 0 348.418 3.515 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)C(F)(F)c2ccc(F)cc2)cc1 ZINC000827900443 603040142 /nfs/dbraw/zinc/04/01/42/603040142.db2.gz QEZXSUWNQPUPBO-UHFFFAOYSA-N -1 0 339.269 3.637 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(C[C@H]2CCOc3ccccc32)n1 ZINC000738818201 603052816 /nfs/dbraw/zinc/05/28/16/603052816.db2.gz WUZMFMMDIQAIGQ-TZMCWYRMSA-N -1 0 345.399 3.533 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc3ccccc3cc2NC(=O)[O-])C[C@@H](C)S1 ZINC000826034786 603053956 /nfs/dbraw/zinc/05/39/56/603053956.db2.gz MFLVMLWVVGWZQU-VXGBXAGGSA-N -1 0 344.436 3.896 20 0 EHADRM O=C([O-])N1CCC[C@@H]1C(=O)Nc1cccc(Nc2ccccc2)c1 ZINC000740469108 603054523 /nfs/dbraw/zinc/05/45/23/603054523.db2.gz NICJJOPKKJJOGY-MRXNPFEDSA-N -1 0 325.368 3.511 20 0 EHADRM C[C@H](CNC(=O)c1ccc(NC(=O)[O-])cc1)Sc1ccccc1 ZINC000824973389 603062524 /nfs/dbraw/zinc/06/25/24/603062524.db2.gz JGVSUFMOEFTWKB-GFCCVEGCSA-N -1 0 330.409 3.687 20 0 EHADRM CC[C@H](C)[C@H](C(=O)NC1CCC(NC(=O)[O-])CC1)c1ccccc1 ZINC000739227913 603067566 /nfs/dbraw/zinc/06/75/66/603067566.db2.gz UQROOIIPDJBMMQ-LYAPFXNSSA-N -1 0 332.444 3.511 20 0 EHADRM C[C@H](NC(=O)[C@H](CNC(=O)[O-])c1ccccc1)c1ccc(Cl)cc1 ZINC000738952678 603079080 /nfs/dbraw/zinc/07/90/80/603079080.db2.gz OQEUKUWKPIGMKQ-BLLLJJGKSA-N -1 0 346.814 3.569 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC)C(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000739267737 603103442 /nfs/dbraw/zinc/10/34/42/603103442.db2.gz ZBGBEJAXGIAVFM-JCYILVPMSA-N -1 0 347.459 3.748 20 0 EHADRM O=C([O-])NC[C@H](NC(=O)Nc1ccccc1-c1cccs1)C1CC1 ZINC000740608290 603114233 /nfs/dbraw/zinc/11/42/33/603114233.db2.gz MVBSHVMFSKCNER-AWEZNQCLSA-N -1 0 345.424 3.583 20 0 EHADRM Cc1cccc([C@H](C)CNC(=O)Nc2cccc(CNC(=O)[O-])c2)c1 ZINC000740160824 603118935 /nfs/dbraw/zinc/11/89/35/603118935.db2.gz YASLLBWXORPUMN-CQSZACIVSA-N -1 0 341.411 3.688 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N2CCC[C@@H]2CNC(=O)[O-])cc1 ZINC000824465158 603131236 /nfs/dbraw/zinc/13/12/36/603131236.db2.gz ZUCGNIIXCCIHCP-RHSMWYFYSA-N -1 0 332.444 3.562 20 0 EHADRM CN(Cc1ccccc1NC(=O)NC(C)(C)c1ccccc1)C(=O)[O-] ZINC000739714759 603140325 /nfs/dbraw/zinc/14/03/25/603140325.db2.gz QKUGREVEVAABLI-UHFFFAOYSA-N -1 0 341.411 3.853 20 0 EHADRM CN(C(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1)c1ccc2ccccc2c1 ZINC000739573644 603153828 /nfs/dbraw/zinc/15/38/28/603153828.db2.gz LBIODWWUJPZPJX-JKSUJKDBSA-N -1 0 326.396 3.629 20 0 EHADRM COc1ccc(NC(=O)C(C)(C)c2cccc(F)c2)cc1NC(=O)[O-] ZINC000739917546 603168032 /nfs/dbraw/zinc/16/80/32/603168032.db2.gz VUSNCVFABCPINU-UHFFFAOYSA-N -1 0 346.358 3.841 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)CCC(=O)c2cccs2)cc1 ZINC000825418649 603174651 /nfs/dbraw/zinc/17/46/51/603174651.db2.gz VGMBKDYEZCGJME-NSHDSACASA-N -1 0 346.408 3.678 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000740047808 603174953 /nfs/dbraw/zinc/17/49/53/603174953.db2.gz IMIQGUKCILOMFR-MELADBBJSA-N -1 0 344.411 3.745 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)Nc2ccccc2OC2CCCC2)C1 ZINC000740570320 603175587 /nfs/dbraw/zinc/17/55/87/603175587.db2.gz XNZYZMJORVNRRN-UONOGXRCSA-N -1 0 346.427 3.773 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)Cc2ccccc2Cl)cc1 ZINC000825422129 603178613 /nfs/dbraw/zinc/17/86/13/603178613.db2.gz GBEGJWMDRPRDFZ-LLVKDONJSA-N -1 0 332.787 3.850 20 0 EHADRM CCOc1ccc(CC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)cc1 ZINC000827428515 603180214 /nfs/dbraw/zinc/18/02/14/603180214.db2.gz UOVHUECWVHAATI-ZDUSSCGKSA-N -1 0 342.395 3.595 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)CCOc2ccc(F)cc2)cc1 ZINC000825414941 603185829 /nfs/dbraw/zinc/18/58/29/603185829.db2.gz CFVZZAKQXFUUBT-LBPRGKRZSA-N -1 0 346.358 3.562 20 0 EHADRM Cc1ccc2c(Cl)c(C(=O)N(C)CCCNC(=O)[O-])sc2c1 ZINC000740156463 603190723 /nfs/dbraw/zinc/19/07/23/603190723.db2.gz XDQIIDMUSLYWSH-UHFFFAOYSA-N -1 0 340.832 3.593 20 0 EHADRM Cc1cccc2c(CCC(=O)Nc3ccc(NC(=O)[O-])nc3)c[nH]c21 ZINC000740178162 603192373 /nfs/dbraw/zinc/19/23/73/603192373.db2.gz AJWQTGQNQNICBL-UHFFFAOYSA-N -1 0 338.367 3.533 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2csc(C3CC3)n2)cc1 ZINC000825448064 603195099 /nfs/dbraw/zinc/19/50/99/603195099.db2.gz AUTBSSJYFMBXHU-SECBINFHSA-N -1 0 331.397 3.601 20 0 EHADRM CCO[C@@H]1C[C@H](NC(=O)c2ccc(C)c(NC(=O)[O-])c2)C12CCCC2 ZINC000827381258 603211982 /nfs/dbraw/zinc/21/19/82/603211982.db2.gz QWCSPMVURYSITD-JKSUJKDBSA-N -1 0 346.427 3.553 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NCc2ccc(F)cc2F)c(Cl)c1 ZINC000740697138 603214741 /nfs/dbraw/zinc/21/47/41/603214741.db2.gz BFNUZKAOTYDLJS-UHFFFAOYSA-N -1 0 340.713 3.638 20 0 EHADRM CCSCc1cccc(NC(=O)c2ccc(CNC(=O)[O-])cc2)c1 ZINC000739516556 603218079 /nfs/dbraw/zinc/21/80/79/603218079.db2.gz GKGSLOOOFJFXMT-UHFFFAOYSA-N -1 0 344.436 3.960 20 0 EHADRM O=C([O-])N1CCc2c(cccc2NC(=O)c2cc3ccsc3[nH]2)C1 ZINC000740473495 603218597 /nfs/dbraw/zinc/21/85/97/603218597.db2.gz HHUFVEZVWXCHMH-UHFFFAOYSA-N -1 0 341.392 3.518 20 0 EHADRM Cc1ccc(F)cc1NC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000830332787 603218673 /nfs/dbraw/zinc/21/86/73/603218673.db2.gz CUQZSKZAPHNZDW-BLLLJJGKSA-N -1 0 330.359 3.718 20 0 EHADRM COCc1ccccc1NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739847587 603221096 /nfs/dbraw/zinc/22/10/96/603221096.db2.gz VWHFEJRDPQXSAB-UHFFFAOYSA-N -1 0 334.759 3.829 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@H]2CCc3c2cccc3F)c(Cl)c1 ZINC000740699630 603231034 /nfs/dbraw/zinc/23/10/34/603231034.db2.gz UTGYDPJPXVROBS-HNNXBMFYSA-N -1 0 348.761 3.986 20 0 EHADRM O=C([O-])NCc1cccc(-c2nc(-c3ccc(O)cc3)cs2)c1 ZINC000832715259 603242255 /nfs/dbraw/zinc/24/22/55/603242255.db2.gz QVHRIFHNGUBTBI-UHFFFAOYSA-N -1 0 326.377 3.950 20 0 EHADRM CCCCc1noc([C@@H](C)Nc2cccc3c2CCN(C(=O)[O-])C3)n1 ZINC000739340305 603244384 /nfs/dbraw/zinc/24/43/84/603244384.db2.gz DBUIHXNPOOJGDD-GFCCVEGCSA-N -1 0 344.415 3.621 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1NC(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000740091380 603244938 /nfs/dbraw/zinc/24/49/38/603244938.db2.gz MOGYJCBWPIIOGE-AWEZNQCLSA-N -1 0 340.379 3.726 20 0 EHADRM CN(C(=O)c1ccc(NC(=O)[O-])cc1Cl)c1ccc(Cl)cn1 ZINC000739593789 603245024 /nfs/dbraw/zinc/24/50/24/603245024.db2.gz NPIWFRRCQDPTRB-UHFFFAOYSA-N -1 0 340.166 3.755 20 0 EHADRM C[C@H](C(=O)N(C)[C@@H](C)c1ccccc1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823655343 603256665 /nfs/dbraw/zinc/25/66/65/603256665.db2.gz SMILOESRQVPCKI-MPGHIAIKSA-N -1 0 340.423 3.851 20 0 EHADRM C[C@H](c1ccccc1)N(C)C(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823655340 603256811 /nfs/dbraw/zinc/25/68/11/603256811.db2.gz SMILOESRQVPCKI-DAYGRLMNSA-N -1 0 340.423 3.851 20 0 EHADRM C[C@H](C(=O)N(C)[C@@H](C)c1ccccc1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823655344 603256818 /nfs/dbraw/zinc/25/68/18/603256818.db2.gz SMILOESRQVPCKI-RLFYNMQTSA-N -1 0 340.423 3.851 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)o1 ZINC000832685133 603258930 /nfs/dbraw/zinc/25/89/30/603258930.db2.gz ZHDVQPHWICVKIQ-OAHLLOKOSA-N -1 0 348.786 3.582 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N(Cc2cccnc2)C2CC2)c(Cl)c1 ZINC000740699934 603273487 /nfs/dbraw/zinc/27/34/87/603273487.db2.gz MXYXSPMASKQRQQ-UHFFFAOYSA-N -1 0 345.786 3.630 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCC[C@H]2c2ccc[nH]2)c(Cl)c1 ZINC000740700044 603276465 /nfs/dbraw/zinc/27/64/65/603276465.db2.gz PLSBGGVFBMTKHR-AWEZNQCLSA-N -1 0 333.775 3.735 20 0 EHADRM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N(C)C2CCN(C(=O)[O-])CC2)cc1 ZINC000738883103 603276987 /nfs/dbraw/zinc/27/69/87/603276987.db2.gz OGZBXSDINZNZNB-MSOLQXFVSA-N -1 0 344.455 3.514 20 0 EHADRM COc1ccc(NC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)cc1F ZINC000829469837 603280689 /nfs/dbraw/zinc/28/06/89/603280689.db2.gz XEIWCMCMAXCLIY-JTQLQIEISA-N -1 0 347.346 3.807 20 0 EHADRM CCn1c2ccccc2nc1NC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000827694593 603283854 /nfs/dbraw/zinc/28/38/54/603283854.db2.gz VSPYVRDHEQOFOS-UHFFFAOYSA-N -1 0 338.367 3.707 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)N2CCCCC[C@@H]2c2ccco2)cc1 ZINC000740671356 603295018 /nfs/dbraw/zinc/29/50/18/603295018.db2.gz OUVWEXMLCLYKMV-MRXNPFEDSA-N -1 0 342.395 3.805 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc(CNC(=O)[O-])o1 ZINC000825630951 603296197 /nfs/dbraw/zinc/29/61/97/603296197.db2.gz WEXYVTMBEASIMO-SNVBAGLBSA-N -1 0 336.775 3.534 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc(CNC(=O)[O-])o1 ZINC000825630950 603296202 /nfs/dbraw/zinc/29/62/02/603296202.db2.gz WEXYVTMBEASIMO-JTQLQIEISA-N -1 0 336.775 3.534 20 0 EHADRM O=C([O-])N1CCC[C@@H]1CC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000832004964 603296714 /nfs/dbraw/zinc/29/67/14/603296714.db2.gz HXRDMJGBIWCJDB-HUUCEWRRSA-N -1 0 336.819 3.536 20 0 EHADRM O=C([O-])NCCCCCCC(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000740648341 603301838 /nfs/dbraw/zinc/30/18/38/603301838.db2.gz OVICSLQAGMNVAJ-OAHLLOKOSA-N -1 0 336.432 3.941 20 0 EHADRM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)C[C@H](C)NC(=O)[O-] ZINC000824549687 603301950 /nfs/dbraw/zinc/30/19/50/603301950.db2.gz BYVBOJBHPKNIAH-DTWKUNHWSA-N -1 0 333.215 3.559 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NCCCC(C)C ZINC000829182998 603305521 /nfs/dbraw/zinc/30/55/21/603305521.db2.gz UWXNRCWYINUFAP-UHFFFAOYSA-N -1 0 328.796 3.605 20 0 EHADRM CN(CCCNC(=O)[O-])C(=O)Nc1cccc(-c2cccs2)c1 ZINC000739677840 603317827 /nfs/dbraw/zinc/31/78/27/603317827.db2.gz RHXRMJSRWRXBGR-UHFFFAOYSA-N -1 0 333.413 3.537 20 0 EHADRM Cc1ccc(C(=O)N(C)CCCOc2ccccc2)cc1NC(=O)[O-] ZINC000830182052 603319916 /nfs/dbraw/zinc/31/99/16/603319916.db2.gz OGODVXPDTAUNIU-UHFFFAOYSA-N -1 0 342.395 3.626 20 0 EHADRM COc1ccc(NC(=O)c2cccc(F)c2Cl)cc1NC(=O)[O-] ZINC000829474983 603321598 /nfs/dbraw/zinc/32/15/98/603321598.db2.gz YAVWQCXJNYSUJI-UHFFFAOYSA-N -1 0 338.722 3.830 20 0 EHADRM CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000739268785 603335588 /nfs/dbraw/zinc/33/55/88/603335588.db2.gz UKZBPLAXTPIAJL-DZGCQCFKSA-N -1 0 333.432 3.887 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N1CCC[C@@H]1C1CC1)C(=O)[O-] ZINC000739444483 603349784 /nfs/dbraw/zinc/34/97/84/603349784.db2.gz ADLVZQJWYHQEAM-MRXNPFEDSA-N -1 0 331.416 3.593 20 0 EHADRM CC(C)Cn1cc(NC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)cn1 ZINC000824318597 603360032 /nfs/dbraw/zinc/36/00/32/603360032.db2.gz NYXUIGAMVCNNCF-LBPRGKRZSA-N -1 0 345.403 3.512 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N(C)Cc2ccccc2F)cc1 ZINC000825423314 603367540 /nfs/dbraw/zinc/36/75/40/603367540.db2.gz OMFYMXUDNDFQQT-GFCCVEGCSA-N -1 0 345.374 3.818 20 0 EHADRM C[C@H](CC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1)NC(=O)[O-] ZINC000824564243 603370377 /nfs/dbraw/zinc/37/03/77/603370377.db2.gz GVBSADCWHFEYNO-SECBINFHSA-N -1 0 345.226 3.531 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)o1 ZINC000830257964 603385527 /nfs/dbraw/zinc/38/55/27/603385527.db2.gz YGVHRZHSJCWSSC-NWDGAFQWSA-N -1 0 331.372 3.799 20 0 EHADRM CCCCOc1ccc(NC(=O)c2ccc(CNC(=O)[O-])o2)c(C)c1 ZINC000826842614 603386470 /nfs/dbraw/zinc/38/64/70/603386470.db2.gz RGYZVPHHOUNQJY-UHFFFAOYSA-N -1 0 346.383 3.787 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)C3(c4cccc(F)c4)CC3)ccc21 ZINC000740528619 603387962 /nfs/dbraw/zinc/38/79/62/603387962.db2.gz ABZOEXVANCESBY-UHFFFAOYSA-N -1 0 340.354 3.537 20 0 EHADRM CSc1ccc(CNC(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1 ZINC000829760589 603400251 /nfs/dbraw/zinc/40/02/51/603400251.db2.gz NUEXDUWQLAHHAC-UHFFFAOYSA-N -1 0 330.409 3.737 20 0 EHADRM C[C@@H](c1nc(Cc2ccccc2)no1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000825645302 603408364 /nfs/dbraw/zinc/40/83/64/603408364.db2.gz NTMWIIICAIUNFQ-CXAGYDPISA-N -1 0 337.379 3.773 20 0 EHADRM C[C@@H](c1nc(Cc2cccs2)no1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000825645311 603408479 /nfs/dbraw/zinc/40/84/79/603408479.db2.gz NVKINCHFUQRNSD-IAQYHMDHSA-N -1 0 343.408 3.834 20 0 EHADRM O=C([O-])N[C@H]1CC[C@@H](c2nc(-c3c(Cl)cccc3Cl)no2)C1 ZINC000832317786 603409800 /nfs/dbraw/zinc/40/98/00/603409800.db2.gz CSMKSHKOMDLKTH-SFYZADRCSA-N -1 0 342.182 3.947 20 0 EHADRM O=C([O-])NCc1cccc(OC(=O)[C@H]2CCSc3ccccc32)c1 ZINC000740679975 603415303 /nfs/dbraw/zinc/41/53/03/603415303.db2.gz NWYYSUDUHUUGBX-HNNXBMFYSA-N -1 0 343.404 3.639 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1ccc(CNC(=O)[O-])o1 ZINC000824753500 603417546 /nfs/dbraw/zinc/41/75/46/603417546.db2.gz SWXIQEQPSBNEBY-ZDUSSCGKSA-N -1 0 344.411 3.533 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1ccc(CNC(=O)[O-])o1 ZINC000824753498 603417702 /nfs/dbraw/zinc/41/77/02/603417702.db2.gz SWXIQEQPSBNEBY-CYBMUJFWSA-N -1 0 344.411 3.533 20 0 EHADRM C[C@H](c1nc(-c2cccc(F)c2)no1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000825644556 603418444 /nfs/dbraw/zinc/41/84/44/603418444.db2.gz GSPCXPOTZOQZFT-NHYWBVRUSA-N -1 0 341.342 3.988 20 0 EHADRM C[C@H](CC(=O)Nc1cccc(COC2CCCCC2)c1)NC(=O)[O-] ZINC000824695624 603418955 /nfs/dbraw/zinc/41/89/55/603418955.db2.gz LGLGRSHRMNUASB-CYBMUJFWSA-N -1 0 334.416 3.521 20 0 EHADRM Cc1ccc(-c2nc(Cc3ccc(F)cc3)no2)cc1NC(=O)[O-] ZINC000830159854 603423963 /nfs/dbraw/zinc/42/39/63/603423963.db2.gz IZEHCWDOFITCFV-UHFFFAOYSA-N -1 0 327.315 3.865 20 0 EHADRM Cc1cc(C(=O)N(c2ccc(CNC(=O)[O-])cc2C)C2CC2)c(C)[nH]1 ZINC000740054749 603429222 /nfs/dbraw/zinc/42/92/22/603429222.db2.gz VIUJQFMVYDFDIL-UHFFFAOYSA-N -1 0 341.411 3.517 20 0 EHADRM C[C@H](C(=O)N1CCCN(C(=O)[O-])c2ccccc21)c1ccsc1 ZINC000738613624 603431619 /nfs/dbraw/zinc/43/16/19/603431619.db2.gz LALITHAMHRRRGZ-LBPRGKRZSA-N -1 0 330.409 3.773 20 0 EHADRM Cc1cc(C(=O)N2CCCN(C(=O)[O-])c3ccccc32)sc1C ZINC000740054615 603431944 /nfs/dbraw/zinc/43/19/44/603431944.db2.gz CHBPKPNVHLRKAD-UHFFFAOYSA-N -1 0 330.409 3.900 20 0 EHADRM O=C([O-])N[C@H]1CC[C@@H](C(=O)Nc2ccc(Nc3ccccc3)cc2)C1 ZINC000832288786 603436013 /nfs/dbraw/zinc/43/60/13/603436013.db2.gz WETSAWMUSUAOSP-DYVFJYSZSA-N -1 0 339.395 3.805 20 0 EHADRM CC(C)(NC(=O)Cc1ccc(NC(=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000824020160 603450588 /nfs/dbraw/zinc/45/05/88/603450588.db2.gz DRFQNPZUKUSUMV-UHFFFAOYSA-N -1 0 348.349 3.649 20 0 EHADRM Cc1ccc(NC(=O)N2CCC(N(CC3CC3)C(=O)[O-])CC2)c(F)c1 ZINC000830380860 603451379 /nfs/dbraw/zinc/45/13/79/603451379.db2.gz BCIZPJZNBSGZRT-UHFFFAOYSA-N -1 0 349.406 3.520 20 0 EHADRM CC(C)[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])C1 ZINC000824157398 603469055 /nfs/dbraw/zinc/46/90/55/603469055.db2.gz KHWANDVWZCGQTM-CQSZACIVSA-N -1 0 331.416 3.627 20 0 EHADRM CCN(C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)[C@H](C)c1cc2ccccc2o1 ZINC000826970202 603513440 /nfs/dbraw/zinc/51/34/40/603513440.db2.gz OTHVKMMXOZQAIG-BPLDGKMQSA-N -1 0 344.411 3.779 20 0 EHADRM Cc1csc(N(C(=O)c2ccc(C)c(NC(=O)[O-])c2)C2CC2)n1 ZINC000830666398 603542416 /nfs/dbraw/zinc/54/24/16/603542416.db2.gz GBOJCVANZRCXQI-UHFFFAOYSA-N -1 0 331.397 3.659 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)[C@H]3C[C@]34CCc3ccccc34)ccc21 ZINC000831773284 603553528 /nfs/dbraw/zinc/55/35/28/603553528.db2.gz VAJSUDBVNRMIMG-UTKZUKDTSA-N -1 0 348.402 3.570 20 0 EHADRM C[C@H](NCc1ccc(NC(=O)[O-])nc1)c1nc2ccccc2s1 ZINC000825503860 603554465 /nfs/dbraw/zinc/55/44/65/603554465.db2.gz YNPIINZUMHAZGS-JTQLQIEISA-N -1 0 328.397 3.632 20 0 EHADRM Cc1c2ccccc2oc1[C@H](NC(=O)CC1CN(C(=O)[O-])C1)C(C)C ZINC000829860362 603575874 /nfs/dbraw/zinc/57/58/74/603575874.db2.gz XYZMWUVMOIYNOY-QGZVFWFLSA-N -1 0 344.411 3.554 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000825860451 603587888 /nfs/dbraw/zinc/58/78/88/603587888.db2.gz JVRLAQXVGUBDDQ-CKEIUWERSA-N -1 0 345.443 3.981 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)[O-])cc1)c1nc(Cc2ccccc2)no1 ZINC000736703795 603599218 /nfs/dbraw/zinc/59/92/18/603599218.db2.gz YSUCNSUNWSTBQG-LBPRGKRZSA-N -1 0 339.351 3.890 20 0 EHADRM Cc1ccc2c(CCC(=O)Nc3ccc(NC(=O)[O-])nc3)c[nH]c2c1 ZINC000830440025 603616037 /nfs/dbraw/zinc/61/60/37/603616037.db2.gz UOCIFYUJNRXXSN-UHFFFAOYSA-N -1 0 338.367 3.533 20 0 EHADRM CSc1cc(-c2nc(-c3cccc(NC(=O)[O-])c3)no2)ccn1 ZINC000829753746 603642887 /nfs/dbraw/zinc/64/28/87/603642887.db2.gz JQMUJWRZNDEQAV-UHFFFAOYSA-N -1 0 328.353 3.610 20 0 EHADRM O=C([O-])N1CCC[C@H]1CC(=O)Nc1ccccc1CCC(F)(F)F ZINC000831345506 603728440 /nfs/dbraw/zinc/72/84/40/603728440.db2.gz HKNGZQAUCYUTRX-LBPRGKRZSA-N -1 0 344.333 3.653 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)Nc2ccccc2CCC(F)(F)F)C1 ZINC000832298036 603728995 /nfs/dbraw/zinc/72/89/95/603728995.db2.gz RAQBHUHHDKYVCI-NWDGAFQWSA-N -1 0 344.333 3.556 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000832832616 603786054 /nfs/dbraw/zinc/78/60/54/603786054.db2.gz ABKWBKWMYVIYKT-CMPLNLGQSA-N -1 0 344.333 3.875 20 0 EHADRM C[C@H](OC(=O)[C@@H](NC(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000825598308 603833612 /nfs/dbraw/zinc/83/36/12/603833612.db2.gz IWCFIBKKUHTIJP-BONVTDFDSA-N -1 0 335.306 3.578 20 0 EHADRM COc1cccc([C@@H](C)Cc2nc([C@H](CC(C)C)NC(=O)[O-])no2)c1 ZINC000829543522 603877598 /nfs/dbraw/zinc/87/75/98/603877598.db2.gz LSXSIMQKFTUDRS-WFASDCNBSA-N -1 0 347.415 3.779 20 0 EHADRM COc1ccc([C@@H](C)Cc2nc([C@H](CC(C)C)NC(=O)[O-])no2)cc1 ZINC000829303318 603877821 /nfs/dbraw/zinc/87/78/21/603877821.db2.gz OHAGLWOBPNCTJZ-WFASDCNBSA-N -1 0 347.415 3.779 20 0 EHADRM CCc1ccc(O)c(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)c1 ZINC000827589240 603895299 /nfs/dbraw/zinc/89/52/99/603895299.db2.gz CVSQKMSDYITLLY-UHFFFAOYSA-N -1 0 334.759 3.950 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Nc2cccc(CNC(=O)[O-])c2)cc1 ZINC000829291552 603936121 /nfs/dbraw/zinc/93/61/21/603936121.db2.gz BXRCZJPSBKAKFL-ZDUSSCGKSA-N -1 0 342.395 3.595 20 0 EHADRM CCCc1nc(C)c(C(=O)Nc2cccc3c2CCN3C(=O)[O-])s1 ZINC000826954407 603941267 /nfs/dbraw/zinc/94/12/67/603941267.db2.gz RDFREQSDLOZXGP-UHFFFAOYSA-N -1 0 345.424 3.697 20 0 EHADRM CC(C)(C(=O)Nc1cccc2c1CCN2C(=O)[O-])c1cccc(F)c1 ZINC000823743409 603947167 /nfs/dbraw/zinc/94/71/67/603947167.db2.gz FHQAUMKNQFUZIA-UHFFFAOYSA-N -1 0 342.370 3.783 20 0 EHADRM C[C@@H](NC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])[C@H](C)c1ccccc1 ZINC000825101272 603950624 /nfs/dbraw/zinc/95/06/24/603950624.db2.gz OFHQTWADNVJMLY-WNJABXAVSA-N -1 0 344.455 3.606 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)c1c(F)cccc1Cl ZINC000831793465 603951219 /nfs/dbraw/zinc/95/12/19/603951219.db2.gz KZELFJMHXMTQDX-UHFFFAOYSA-N -1 0 334.734 3.772 20 0 EHADRM Cc1cccc(CN(C)C(=O)Nc2cccc3c2CCN3C(=O)[O-])c1 ZINC000830499008 603977311 /nfs/dbraw/zinc/97/73/11/603977311.db2.gz VKHHSWXMUWOLQK-UHFFFAOYSA-N -1 0 339.395 3.699 20 0 EHADRM C[C@H]1CCC[C@H](C)N(C(=O)Nc2cccc3c2CCN3C(=O)[O-])C1 ZINC000825886553 603988621 /nfs/dbraw/zinc/98/86/21/603988621.db2.gz IISFEUOGIKBMQZ-STQMWFEESA-N -1 0 331.416 3.770 20 0 EHADRM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)cc1 ZINC000830281352 603989319 /nfs/dbraw/zinc/98/93/19/603989319.db2.gz FMZMGRXSQTUSFP-DDBAPUKQSA-N -1 0 344.455 3.731 20 0 EHADRM CCC[C@@H]1CCCN(C(=O)Nc2cccc3c2CCN3C(=O)[O-])C1 ZINC000826776038 603995558 /nfs/dbraw/zinc/99/55/58/603995558.db2.gz WBCGUAYMUSEJNM-CYBMUJFWSA-N -1 0 331.416 3.771 20 0 EHADRM COc1cc(NC(=O)N(C2CC2)C2CCCC2)ccc1NC(=O)[O-] ZINC000829158504 604009907 /nfs/dbraw/zinc/00/99/07/604009907.db2.gz FIQBZPMXJDVVQZ-UHFFFAOYSA-N -1 0 333.388 3.724 20 0 EHADRM CCCC[C@@H](CNC(=O)[O-])NC(=O)c1c(Cl)cccc1Cl ZINC000826800847 604015116 /nfs/dbraw/zinc/01/51/16/604015116.db2.gz MMUJGBHKYLMVNL-VIFPVBQESA-N -1 0 333.215 3.550 20 0 EHADRM CCCN(C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1)c1cccnc1 ZINC000826856125 604034259 /nfs/dbraw/zinc/03/42/59/604034259.db2.gz CCEZCDHPZSWLDY-QGZVFWFLSA-N -1 0 341.411 3.614 20 0 EHADRM C[C@H](OC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC000825553518 604057928 /nfs/dbraw/zinc/05/79/28/604057928.db2.gz YFQUFQMMEBASAY-NDMJEZRESA-N -1 0 345.317 3.746 20 0 EHADRM Cc1cc(Cl)ccc1NC(=O)N1CCC[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000830050742 604062486 /nfs/dbraw/zinc/06/24/86/604062486.db2.gz XWWLWURUCRTVOQ-NEPJUHHUSA-N -1 0 339.823 3.548 20 0 EHADRM CC(C)c1ccc(NC(=O)N2CCC[C@H]([C@H](C)NC(=O)[O-])C2)cc1 ZINC000824469772 604064820 /nfs/dbraw/zinc/06/48/20/604064820.db2.gz FNJWFLOTTQUCHX-ZFWWWQNUSA-N -1 0 333.432 3.710 20 0 EHADRM C[C@@]1(CNC(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])CCCS1 ZINC000825749180 604084237 /nfs/dbraw/zinc/08/42/37/604084237.db2.gz LAQVVJDDRVHBKD-KRWDZBQOSA-N -1 0 349.456 3.524 20 0 EHADRM C[C@]1(CNC(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])CCCS1 ZINC000825749181 604084561 /nfs/dbraw/zinc/08/45/61/604084561.db2.gz LAQVVJDDRVHBKD-QGZVFWFLSA-N -1 0 349.456 3.524 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000823859524 604118515 /nfs/dbraw/zinc/11/85/15/604118515.db2.gz QWMYJEXMQOFRJB-KGLIPLIRSA-N -1 0 345.443 3.733 20 0 EHADRM CCc1cccc(C)c1NC(=O)N(C)CC[C@@H](NC(=O)[O-])C(C)C ZINC000827596744 604119305 /nfs/dbraw/zinc/11/93/05/604119305.db2.gz YTJITZKHDKSHNN-OAHLLOKOSA-N -1 0 335.448 3.703 20 0 EHADRM Cc1nc(CN2CCC[C@@H]2CNC(=O)[O-])oc1-c1ccc(Cl)cc1 ZINC000830752376 604131385 /nfs/dbraw/zinc/13/13/85/604131385.db2.gz VQOOSYNNICUWJJ-CQSZACIVSA-N -1 0 349.818 3.535 20 0 EHADRM Cc1ccc(-c2nc(CN3CCC[C@H]([C@@H](C)NC(=O)[O-])C3)cs2)o1 ZINC000830154235 604164537 /nfs/dbraw/zinc/16/45/37/604164537.db2.gz GOOBXWKSSASHLM-OLZOCXBDSA-N -1 0 349.456 3.580 20 0 EHADRM C[C@@H](NC(=O)c1ccc(F)c(NC(=O)[O-])c1)[C@H](C)c1ccccc1 ZINC000825457713 604211096 /nfs/dbraw/zinc/21/10/96/604211096.db2.gz ANVJRSASTLISDG-NWDGAFQWSA-N -1 0 330.359 3.838 20 0 EHADRM C[C@H](OC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1)c1cnc2ccccc2c1 ZINC000825560133 604246636 /nfs/dbraw/zinc/24/66/36/604246636.db2.gz HNJRKAHDAVPCGY-BJJXKVORSA-N -1 0 342.395 3.665 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1F ZINC000833160455 604265439 /nfs/dbraw/zinc/26/54/39/604265439.db2.gz GTFFXSLUDKSCOM-UHFFFAOYSA-N -1 0 342.370 3.767 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2cccc(CC(=O)[O-])c2)c(C)c1 ZINC000832952531 604269378 /nfs/dbraw/zinc/26/93/78/604269378.db2.gz PPGNTCSHRBBGIF-UHFFFAOYSA-N -1 0 341.407 3.728 20 0 EHADRM CCN(C(=O)c1ccc(C(=O)[O-])c(F)c1)[C@@H](C)c1ccc(F)cc1 ZINC000829601831 604278988 /nfs/dbraw/zinc/27/89/88/604278988.db2.gz ABXYBRAOTRNWIM-NSHDSACASA-N -1 0 333.334 3.886 20 0 EHADRM Cc1coc(-c2cccc(NC(=O)c3ccc(NC(=O)[O-])cc3)c2)n1 ZINC000830655333 604280201 /nfs/dbraw/zinc/28/02/01/604280201.db2.gz OBJWTNIAFIQLRX-UHFFFAOYSA-N -1 0 337.335 3.992 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCc3cc(-c4ccccc4)ccc32)n1 ZINC000432097474 604304331 /nfs/dbraw/zinc/30/43/31/604304331.db2.gz VPCXHULTSQPTOP-UHFFFAOYSA-N -1 0 344.370 3.650 20 0 EHADRM CC(C)(CCc1ccccc1)NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000826550735 604305047 /nfs/dbraw/zinc/30/50/47/604305047.db2.gz KGNJFDGTDFYIGW-UHFFFAOYSA-N -1 0 329.371 3.665 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2F)cc1F ZINC000833150393 604305608 /nfs/dbraw/zinc/30/56/08/604305608.db2.gz HIZRMXXUWLSLDU-UHFFFAOYSA-N -1 0 345.223 3.934 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)cc1 ZINC000737893882 604307448 /nfs/dbraw/zinc/30/74/48/604307448.db2.gz OVCKXWOPPYKREM-NSHDSACASA-N -1 0 346.452 3.933 20 0 EHADRM Cc1cccc(NC(=O)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)c1 ZINC000830522049 604309441 /nfs/dbraw/zinc/30/94/41/604309441.db2.gz NWVJPJGTYJVNKO-CYBMUJFWSA-N -1 0 327.384 3.645 20 0 EHADRM CCc1ccc(C(=O)CCC(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000192917452 604316841 /nfs/dbraw/zinc/31/68/41/604316841.db2.gz DRFJFGCTHTZPFF-UHFFFAOYSA-N -1 0 331.393 3.610 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1ccc(CNC(=O)[O-])o1 ZINC000826587368 604322226 /nfs/dbraw/zinc/32/22/26/604322226.db2.gz SXQQCNPQYPJHCX-HNNXBMFYSA-N -1 0 344.411 3.531 20 0 EHADRM CC[C@H](Cc1ccccc1)N(CC)C(=O)C1CCC(NC(=O)[O-])CC1 ZINC000826587333 604322327 /nfs/dbraw/zinc/32/23/27/604322327.db2.gz SJAQMEOKJGYZQS-DAWZGUTISA-N -1 0 346.471 3.683 20 0 EHADRM C[C@H]1c2cc(Cl)cc(Cl)c2CCN1c1ccc(C(=O)[O-])nn1 ZINC000566071495 604372825 /nfs/dbraw/zinc/37/28/25/604372825.db2.gz OVONVHFPCPVNIM-QMMMGPOBSA-N -1 0 338.194 3.605 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CCc2cccc(F)c21)C(=O)[O-] ZINC000827914584 604373145 /nfs/dbraw/zinc/37/31/45/604373145.db2.gz AHJAQJKUQUNOOJ-NSHDSACASA-N -1 0 345.395 3.594 20 0 EHADRM O=C([O-])c1sccc1COc1cc(F)ccc1Br ZINC000160127650 604405516 /nfs/dbraw/zinc/40/55/16/604405516.db2.gz XXGRXGPTFGKTKE-UHFFFAOYSA-N -1 0 331.162 3.927 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)Cc1ccccc1C ZINC000829028545 604428408 /nfs/dbraw/zinc/42/84/08/604428408.db2.gz WCKKTMSHZUGQGM-SFHVURJKSA-N -1 0 325.408 3.602 20 0 EHADRM C/C(=C\COC(=O)C[C@H](C)c1ccc(Br)cc1)C(=O)[O-] ZINC000825758891 604435396 /nfs/dbraw/zinc/43/53/96/604435396.db2.gz RXGIODJVMJMMHC-HUYFXPKMSA-N -1 0 341.201 3.517 20 0 EHADRM CCCOc1cccc(CC(=O)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC000263537358 604436782 /nfs/dbraw/zinc/43/67/82/604436782.db2.gz PEZDBYOIOWGKNP-UHFFFAOYSA-N -1 0 341.407 3.674 20 0 EHADRM Cc1ccccc1-c1nc(CNc2cc(NC(=O)[O-])ccc2F)no1 ZINC000830549528 604441511 /nfs/dbraw/zinc/44/15/11/604441511.db2.gz LBBOXGZJHWGANE-UHFFFAOYSA-N -1 0 342.330 3.886 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)c2sccc2C2CC2)cc1 ZINC000825397396 604447071 /nfs/dbraw/zinc/44/70/71/604447071.db2.gz LAMNGHXLJKBJCO-NSHDSACASA-N -1 0 344.436 3.884 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)c2cc3occc3s2)cc1 ZINC000825397136 604453833 /nfs/dbraw/zinc/45/38/33/604453833.db2.gz GLQRYVZSEMTDHM-JTQLQIEISA-N -1 0 344.392 3.753 20 0 EHADRM CN(Cc1csc(-c2ccc(F)cc2)n1)C1(C(=O)[O-])CCCC1 ZINC000830869755 604457849 /nfs/dbraw/zinc/45/78/49/604457849.db2.gz HRIQPACRGFQGTR-UHFFFAOYSA-N -1 0 334.416 3.778 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@H]1CC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000314959039 604476916 /nfs/dbraw/zinc/47/69/16/604476916.db2.gz MKSLHJBOXFRNRA-ONGXEEELSA-N -1 0 345.226 3.703 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@H]1CC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000827654012 604478200 /nfs/dbraw/zinc/47/82/00/604478200.db2.gz WECOWCQVLQQEHX-KOLCDFICSA-N -1 0 345.226 3.703 20 0 EHADRM O=C([O-])c1csc(NC(=O)NCc2csc3ccccc23)c1 ZINC000833148280 604486628 /nfs/dbraw/zinc/48/66/28/604486628.db2.gz XKVBVSMMMDYZEW-UHFFFAOYSA-N -1 0 332.406 3.983 20 0 EHADRM O=C([O-])c1csc(NC(=O)N[C@H](c2ccco2)c2ccccc2)c1 ZINC000833149894 604486701 /nfs/dbraw/zinc/48/67/01/604486701.db2.gz BNVHKDFFUZILSD-HNNXBMFYSA-N -1 0 342.376 3.950 20 0 EHADRM O=C([O-])c1csc(NC(=O)NC2(c3ccc(F)cc3)CCC2)c1 ZINC000833152230 604494136 /nfs/dbraw/zinc/49/41/36/604494136.db2.gz YOYJQNZIQBTIRS-UHFFFAOYSA-N -1 0 334.372 3.786 20 0 EHADRM C[C@H](Oc1cccc(Cl)c1)C(=O)OC1CCC(CC(=O)[O-])CC1 ZINC000833540997 604496168 /nfs/dbraw/zinc/49/61/68/604496168.db2.gz PBUASQPNXMQAIA-DCBWTQNWSA-N -1 0 340.803 3.684 20 0 EHADRM O=C([O-])c1csc(NC(=O)Nc2ccccc2OCC2CC2)c1 ZINC000833151290 604503184 /nfs/dbraw/zinc/50/31/84/604503184.db2.gz NXYLPZYEEXBZCP-UHFFFAOYSA-N -1 0 332.381 3.879 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)NCC(C1CC1)C1CC1)c1ccccc1 ZINC000826095569 604504154 /nfs/dbraw/zinc/50/41/54/604504154.db2.gz LLUMVGWEZVPEQR-QGZVFWFLSA-N -1 0 344.455 3.574 20 0 EHADRM CCS[C@H]1CC[C@H](N(C)C(=O)Nc2cc(C(=O)[O-])cs2)C1 ZINC000830150039 604515593 /nfs/dbraw/zinc/51/55/93/604515593.db2.gz MIELZUIZLJEPEM-QWRGUYRKSA-N -1 0 328.459 3.584 20 0 EHADRM CCCCN(C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])C1CC1 ZINC000829373398 604522629 /nfs/dbraw/zinc/52/26/29/604522629.db2.gz VBGCMYAJNBJLBH-MRXNPFEDSA-N -1 0 332.444 3.813 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)N(CC1CC1)CC1CC1)c1ccccc1 ZINC000826088983 604523622 /nfs/dbraw/zinc/52/36/22/604523622.db2.gz GHIXUKOQLZVMBW-QGZVFWFLSA-N -1 0 344.455 3.670 20 0 EHADRM CCN(C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])[C@@H](C)C(C)C ZINC000829597800 604536906 /nfs/dbraw/zinc/53/69/06/604536906.db2.gz UVDIOQMJGDXYHH-HOCLYGCPSA-N -1 0 334.460 3.915 20 0 EHADRM C/C(=C\c1ccccc1Cl)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000761576117 604547921 /nfs/dbraw/zinc/54/79/21/604547921.db2.gz AOJNGEINBHNSPL-LPQFERQCSA-N -1 0 329.783 3.685 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2cc(Cl)c(Cl)[nH]2)oc1C(=O)[O-] ZINC000832877385 604561444 /nfs/dbraw/zinc/56/14/44/604561444.db2.gz XXFSWSPFOKYEFJ-LURJTMIESA-N -1 0 332.139 3.839 20 0 EHADRM C/C(=C\c1ccccc1Cl)C(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC000761864828 604565339 /nfs/dbraw/zinc/56/53/39/604565339.db2.gz IKAHPEZCUMNMGY-OFAQMXQXSA-N -1 0 347.773 3.825 20 0 EHADRM COc1cccc([C@@H](C)C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)c1 ZINC000832528757 604572347 /nfs/dbraw/zinc/57/23/47/604572347.db2.gz PTTPOHCZAXEJHE-VXGBXAGGSA-N -1 0 332.352 3.703 20 0 EHADRM COc1ccccc1C1(C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)CC1 ZINC000832600925 604576827 /nfs/dbraw/zinc/57/68/27/604576827.db2.gz BTHOVKQBWDJUIW-LBPRGKRZSA-N -1 0 344.363 3.631 20 0 EHADRM C/C(=C/C(=O)N1CCC[C@@H]1CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000825717233 604577611 /nfs/dbraw/zinc/57/76/11/604577611.db2.gz TXIYHPJGEQMING-KOTGUFOOSA-N -1 0 341.329 3.574 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)C[C@H](C)C(=O)c2ccccc2)oc1C(=O)[O-] ZINC000832875898 604586371 /nfs/dbraw/zinc/58/63/71/604586371.db2.gz PGQFWWUWFBHAAN-WCQYABFASA-N -1 0 344.363 3.800 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000833211630 604592745 /nfs/dbraw/zinc/59/27/45/604592745.db2.gz HDOBZSPFRVUDFI-OAHLLOKOSA-N -1 0 343.354 3.697 20 0 EHADRM CN(c1ccccc1)c1ccccc1C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000455886068 604599996 /nfs/dbraw/zinc/59/99/96/604599996.db2.gz YETJVVGKVCSUEF-MRXNPFEDSA-N -1 0 338.407 3.534 20 0 EHADRM O=C([O-])[C@H](OC(=O)/C=C/SCc1ccco1)c1ccc(F)cc1 ZINC000833093239 604601064 /nfs/dbraw/zinc/60/10/64/604601064.db2.gz WVZCTKPOXUIXCS-LOWQCSRCSA-N -1 0 336.340 3.535 20 0 EHADRM O=C([O-])[C@@H](OC(=O)/C=C/SCc1ccco1)c1ccccc1F ZINC000833093204 604601132 /nfs/dbraw/zinc/60/11/32/604601132.db2.gz VMMLLZWOQBZEAQ-HEWZJLJBSA-N -1 0 336.340 3.535 20 0 EHADRM CCC(CC)n1nccc1C(=O)O[C@@H](C)c1ccc(C(=O)[O-])cc1 ZINC000828874316 604625910 /nfs/dbraw/zinc/62/59/10/604625910.db2.gz CSKDBTFZGIYCHE-LBPRGKRZSA-N -1 0 330.384 3.860 20 0 EHADRM O=C([O-])c1ccc2c(=O)[nH]c(C=Cc3cc(F)c(F)cc3F)nc2c1 ZINC000833325794 604628735 /nfs/dbraw/zinc/62/87/35/604628735.db2.gz XQZNLKRKWYPGJX-RQOWECAXSA-N -1 0 346.264 3.621 20 0 EHADRM O=C([O-])c1csc(NC(=O)NCC2(Cc3ccccc3)CC2)c1 ZINC000833138267 604638772 /nfs/dbraw/zinc/63/87/72/604638772.db2.gz BECBCOUTPBYHJE-UHFFFAOYSA-N -1 0 330.409 3.591 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)c1ccc(F)c(Cl)c1 ZINC000692408012 604663781 /nfs/dbraw/zinc/66/37/81/604663781.db2.gz JMQGAUIOQSQVOZ-UHFFFAOYSA-N -1 0 335.762 3.596 20 0 EHADRM Cc1cc(F)cc(NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)c1 ZINC000832888480 604666978 /nfs/dbraw/zinc/66/69/78/604666978.db2.gz VCTWRDRQQYQECC-UHFFFAOYSA-N -1 0 331.347 3.888 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N[C@@H](c1cccs1)C1CC1 ZINC000262090053 604676516 /nfs/dbraw/zinc/67/65/16/604676516.db2.gz CNKVDHMIKAQKOO-QGZVFWFLSA-N -1 0 329.421 3.646 20 0 EHADRM C[C@H](c1cc2ccccc2o1)N(C)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000539675316 604678066 /nfs/dbraw/zinc/67/80/66/604678066.db2.gz OSLBGFGTFNTDRS-CYBMUJFWSA-N -1 0 337.375 3.893 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000540774396 604678230 /nfs/dbraw/zinc/67/82/30/604678230.db2.gz MQENOSBNDSGAEZ-LBPRGKRZSA-N -1 0 331.799 3.800 20 0 EHADRM O=C([O-])c1cc(CN2CCc3c(Cl)cc(Cl)cc3C2)c[nH]1 ZINC000833780565 604681769 /nfs/dbraw/zinc/68/17/69/604681769.db2.gz ZXLCXJHFWBFZTD-UHFFFAOYSA-N -1 0 325.195 3.578 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccc(F)c(Cl)c1)c1ccccc1F ZINC000833350623 604694967 /nfs/dbraw/zinc/69/49/67/604694967.db2.gz DQYRXMUPCIQUAX-ZDUSSCGKSA-N -1 0 326.682 3.601 20 0 EHADRM CC(C)c1csc([C@H]2CCCN(c3cccc(C(=O)[O-])n3)C2)n1 ZINC000263464567 604714275 /nfs/dbraw/zinc/71/42/75/604714275.db2.gz CKDVUNFBIVTENE-LBPRGKRZSA-N -1 0 331.441 3.744 20 0 EHADRM CC(C)COc1ccccc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000262253950 604714406 /nfs/dbraw/zinc/71/44/06/604714406.db2.gz VWLCVVFYIMCGAA-UHFFFAOYSA-N -1 0 341.407 3.991 20 0 EHADRM CN(C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)C1(C(=O)[O-])CCCC1 ZINC000830455896 604720121 /nfs/dbraw/zinc/72/01/21/604720121.db2.gz AGFKACXBAOKZIP-ZWKOTPCHSA-N -1 0 337.419 3.799 20 0 EHADRM C[C@H](OC(=O)c1cc(C2CCCCC2)[nH]n1)c1ccc(C(=O)[O-])o1 ZINC000833532855 604723634 /nfs/dbraw/zinc/72/36/34/604723634.db2.gz UTSWEXYBPHMWRN-JTQLQIEISA-N -1 0 332.356 3.667 20 0 EHADRM Cc1nc(-c2ccsc2)ccc1C(=O)N(C)C1(C(=O)[O-])CCCC1 ZINC000832993167 604727679 /nfs/dbraw/zinc/72/76/79/604727679.db2.gz OBVKRGRGLZCVKH-UHFFFAOYSA-N -1 0 344.436 3.588 20 0 EHADRM CC(C)c1cccc(C(C)C)c1NC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000824470140 604733455 /nfs/dbraw/zinc/73/34/55/604733455.db2.gz MDMRTSWVRWQPKU-AWEZNQCLSA-N -1 0 348.443 3.641 20 0 EHADRM CC[C@H](CC(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccc(C)cc1 ZINC000828770524 604736125 /nfs/dbraw/zinc/73/61/25/604736125.db2.gz QQYZVLDRJDDTHZ-CYBMUJFWSA-N -1 0 346.452 3.991 20 0 EHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000761581087 604736158 /nfs/dbraw/zinc/73/61/58/604736158.db2.gz VWNXNQHLWKTPIQ-YUQCYMQKSA-N -1 0 329.783 3.685 20 0 EHADRM CCc1[nH]c(C(=O)N2CCc3sccc3[C@@H]2CC)c(C)c1C(=O)[O-] ZINC000830191801 604742044 /nfs/dbraw/zinc/74/20/44/604742044.db2.gz JMDVNVPUTMBOHM-ZDUSSCGKSA-N -1 0 346.452 3.795 20 0 EHADRM CC(C)c1nc(C2(NCc3ccc(C(=O)[O-])cc3F)CCCC2)no1 ZINC000833512122 604759370 /nfs/dbraw/zinc/75/93/70/604759370.db2.gz IFVIKRJKPJARGS-UHFFFAOYSA-N -1 0 347.390 3.589 20 0 EHADRM COC1CCC(CC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CC1 ZINC000833718843 604762328 /nfs/dbraw/zinc/76/23/28/604762328.db2.gz HHGBREIROHGHCH-UHFFFAOYSA-N -1 0 333.428 3.583 20 0 EHADRM CC(=O)N(Cc1ccc(NCc2ccc(C(=O)[O-])cc2)cc1)C(C)C ZINC000263455149 604776419 /nfs/dbraw/zinc/77/64/19/604776419.db2.gz HDZLSVLHHXEFKS-UHFFFAOYSA-N -1 0 340.423 3.754 20 0 EHADRM C[C@@]1(c2ccccc2)CCN(C(=O)CCc2ccccc2C(=O)[O-])C1 ZINC000450532020 604779882 /nfs/dbraw/zinc/77/98/82/604779882.db2.gz LUVZNXICHMNAHU-OAQYLSRUSA-N -1 0 337.419 3.508 20 0 EHADRM CC(C)Oc1cccc([C@@H](C)NC(=O)Cc2ccccc2C(=O)[O-])c1 ZINC000262229821 604790070 /nfs/dbraw/zinc/79/00/70/604790070.db2.gz NTPBOEBCIOCAKB-CQSZACIVSA-N -1 0 341.407 3.592 20 0 EHADRM O=C([O-])COc1ccc(NC(=S)Nc2ccccc2)cc1Cl ZINC000833258470 604793726 /nfs/dbraw/zinc/79/37/26/604793726.db2.gz PBBXKZVAKYGBKZ-UHFFFAOYSA-N -1 0 336.800 3.612 20 0 EHADRM O=C([O-])Nc1ccc(CNC(=O)CNc2cccc3ccccc32)cc1 ZINC000833286335 604797998 /nfs/dbraw/zinc/79/79/98/604797998.db2.gz QDWHBMNQXGVENN-UHFFFAOYSA-N -1 0 349.390 3.658 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1F ZINC000833130693 604804938 /nfs/dbraw/zinc/80/49/38/604804938.db2.gz DSXVPHXZFFSGNL-CQSZACIVSA-N -1 0 349.358 3.630 20 0 EHADRM COc1ccc(C(C)(C)C(=O)Nc2cc(NC(=O)[O-])ccc2F)cc1 ZINC000829294648 604818250 /nfs/dbraw/zinc/81/82/50/604818250.db2.gz WQTUCPDVBWXKES-UHFFFAOYSA-N -1 0 346.358 3.841 20 0 EHADRM Cc1ccc2cc(C(=O)Nc3cc(C(=O)[O-])c(F)cc3F)ccc2n1 ZINC000832961934 604819201 /nfs/dbraw/zinc/81/92/01/604819201.db2.gz IGCHPLNVNWFIPC-UHFFFAOYSA-N -1 0 342.301 3.772 20 0 EHADRM CC(C)[C@H](OC(=O)CCNC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000826721872 604819559 /nfs/dbraw/zinc/81/95/59/604819559.db2.gz CGJWTOLBGWVDMM-ZDUSSCGKSA-N -1 0 333.306 3.603 20 0 EHADRM Cc1ccc(C(C)(C)CN(C)C(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000832925142 604827045 /nfs/dbraw/zinc/82/70/45/604827045.db2.gz WYOJUQYGIDYSSN-UHFFFAOYSA-N -1 0 343.398 3.882 20 0 EHADRM C[C@@H](CSCc1ccccc1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818013708 604827435 /nfs/dbraw/zinc/82/74/35/604827435.db2.gz KXRZDQNWEHRAMF-AWEZNQCLSA-N -1 0 343.448 3.822 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(OC3CCC3)c(F)c2)cc1F ZINC000833156405 604830539 /nfs/dbraw/zinc/83/05/39/604830539.db2.gz KEEVYBALHCSPRS-UHFFFAOYSA-N -1 0 347.317 3.847 20 0 EHADRM C[C@@H](CSCc1ccccc1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000827580452 604831792 /nfs/dbraw/zinc/83/17/92/604831792.db2.gz CECOWBVUEKZCOZ-NSHDSACASA-N -1 0 335.450 3.954 20 0 EHADRM Cc1cccc(-c2cncc(C(=O)Nc3cccc(CC(=O)[O-])c3)c2)c1 ZINC000431779714 604833186 /nfs/dbraw/zinc/83/31/86/604833186.db2.gz BEVVVQFIKOHKFL-UHFFFAOYSA-N -1 0 346.386 3.936 20 0 EHADRM CC(C)[C@H](C)N(CC(F)(F)F)C(=O)CCc1ccccc1C(=O)[O-] ZINC000833468713 604836210 /nfs/dbraw/zinc/83/62/10/604836210.db2.gz JSIGZSUOUPIYSD-LBPRGKRZSA-N -1 0 345.361 3.753 20 0 EHADRM Cc1ccc(-c2nc(CN3CCc4ccc(C(=O)[O-])cc4C3)co2)cc1 ZINC000560056279 604849104 /nfs/dbraw/zinc/84/91/04/604849104.db2.gz IZQHJIODRYDKJA-UHFFFAOYSA-N -1 0 348.402 3.907 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2cccc3c2CCC3)cc1Cl ZINC000192900690 604850765 /nfs/dbraw/zinc/85/07/65/604850765.db2.gz BJEBTWXVTVWBJU-UHFFFAOYSA-N -1 0 345.782 3.544 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)c2cccc(C(C)C)n2)c1 ZINC000829469424 604853588 /nfs/dbraw/zinc/85/35/88/604853588.db2.gz PHSIEOZWNMNLKT-UHFFFAOYSA-N -1 0 329.356 3.556 20 0 EHADRM C[C@H](CC(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21)c1cccc(F)c1 ZINC000669435177 604860080 /nfs/dbraw/zinc/86/00/80/604860080.db2.gz XBXOKSXCQUBWJQ-CXAGYDPISA-N -1 0 341.382 3.924 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000833385060 604860809 /nfs/dbraw/zinc/86/08/09/604860809.db2.gz FVZHRWWZPXXEAH-QOHRORDFSA-N -1 0 339.366 3.834 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@@H]2CCCc3sccc32)cc1 ZINC000322645446 604861342 /nfs/dbraw/zinc/86/13/42/604861342.db2.gz ZGBFWBJITMDYJY-OAHLLOKOSA-N -1 0 329.421 3.824 20 0 EHADRM CC1(C)CC(C)(C)c2cc(NC(=O)N3CCC(C(=O)[O-])CC3)ccc21 ZINC000262974272 604863336 /nfs/dbraw/zinc/86/33/36/604863336.db2.gz AWUPQHYINSNRTR-UHFFFAOYSA-N -1 0 344.455 3.974 20 0 EHADRM CN(C(=O)c1cnc(-c2ccccc2)s1)C1(C(=O)[O-])CCCCC1 ZINC000191299353 604867311 /nfs/dbraw/zinc/86/73/11/604867311.db2.gz NPFVAHKKEYJOOR-UHFFFAOYSA-N -1 0 344.436 3.670 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000540667053 604870068 /nfs/dbraw/zinc/87/00/68/604870068.db2.gz RVSVIISVGMXUDD-APPDUMDISA-N -1 0 349.789 3.915 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(c2nc(C(F)F)nc3ccccc32)C1 ZINC000833419413 604874117 /nfs/dbraw/zinc/87/41/17/604874117.db2.gz JOENNIAFKNFCAD-LLVKDONJSA-N -1 0 349.381 3.895 20 0 EHADRM O=C([O-])C1CCC(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000833766529 604876022 /nfs/dbraw/zinc/87/60/22/604876022.db2.gz UPARAEXTOXNLIS-UHFFFAOYSA-N -1 0 349.736 3.732 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)Cc2ccc3ccccc3c2)C1 ZINC000326863125 604888140 /nfs/dbraw/zinc/88/81/40/604888140.db2.gz UYEBZTDDAHYQQX-GOSISDBHSA-N -1 0 339.435 3.732 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)[C@@H]2CCCc3sccc32)C1 ZINC000322058149 604894357 /nfs/dbraw/zinc/89/43/57/604894357.db2.gz OOMWXNSAROKWBM-GXTWGEPZSA-N -1 0 335.469 3.517 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000827921857 604903263 /nfs/dbraw/zinc/90/32/63/604903263.db2.gz JHBPFKJGAGMXFU-SECBINFHSA-N -1 0 336.800 3.553 20 0 EHADRM C[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)C1 ZINC000828244619 604920185 /nfs/dbraw/zinc/92/01/85/604920185.db2.gz AKLJDYRMYHYZIV-GHMZBOCLSA-N -1 0 340.807 3.504 20 0 EHADRM CC[C@@H]1CCCCN1C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000829118836 604921059 /nfs/dbraw/zinc/92/10/59/604921059.db2.gz KUEGXACSRBMPGQ-GFCCVEGCSA-N -1 0 340.807 3.600 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)C[C@H](C)C2CCN(C(=O)[O-])CC2)o1 ZINC000830282185 604922621 /nfs/dbraw/zinc/92/26/21/604922621.db2.gz OPXUBCXKSNHJIA-BBRMVZONSA-N -1 0 348.443 3.668 20 0 EHADRM Cc1ccc(C)c(CC(=O)N(CCCC(=O)[O-])Cc2ccccc2)c1 ZINC000237643530 604936821 /nfs/dbraw/zinc/93/68/21/604936821.db2.gz HNAPESVDKWABAO-UHFFFAOYSA-N -1 0 339.435 3.740 20 0 EHADRM CN(C(=O)Nc1nc(CCC(=O)[O-])cs1)C1CCC(C)(C)CC1 ZINC000830508308 604978365 /nfs/dbraw/zinc/97/83/65/604978365.db2.gz VDIAORMJTUFBPB-UHFFFAOYSA-N -1 0 339.461 3.593 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)NC1CCC(F)(F)CC1)C(=O)[O-] ZINC000833547014 604980712 /nfs/dbraw/zinc/98/07/12/604980712.db2.gz ZIABNHOOECQAHL-SNVBAGLBSA-N -1 0 343.395 3.560 20 0 EHADRM O=C([O-])CCc1csc(NC(=O)NCCCC2CCCCC2)n1 ZINC000833239260 604992929 /nfs/dbraw/zinc/99/29/29/604992929.db2.gz DXMCCOBWDSRIOP-UHFFFAOYSA-N -1 0 339.461 3.642 20 0 EHADRM O=C([O-])[C@H](Nc1cccc(OCCc2ccccc2)c1)c1cccnc1 ZINC000833171085 604995830 /nfs/dbraw/zinc/99/58/30/604995830.db2.gz UTSFXGNSULOZNR-HXUWFJFHSA-N -1 0 348.402 3.941 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1cccn1[C@H](C)Cc1ccccc1 ZINC000833496579 605013134 /nfs/dbraw/zinc/01/31/34/605013134.db2.gz COKHYXKVWCQFGA-MRXNPFEDSA-N -1 0 342.439 3.617 20 0 EHADRM C[C@@H](c1nc(-c2cccc(C(=O)[O-])c2)no1)c1c(F)cccc1F ZINC000833549921 605025970 /nfs/dbraw/zinc/02/59/70/605025970.db2.gz INIBKXYGEITHHF-SECBINFHSA-N -1 0 330.290 3.865 20 0 EHADRM CCC[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)C(C)C ZINC000621565255 605039473 /nfs/dbraw/zinc/03/94/73/605039473.db2.gz LMEGJSXEDGDORN-NSHDSACASA-N -1 0 329.343 3.997 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)N[C@H](C(=O)[O-])c2ccccn2)cc1 ZINC000833510345 605045063 /nfs/dbraw/zinc/04/50/63/605045063.db2.gz RWYXKSAFVYEBPM-UEKDZROGSA-N -1 0 338.407 3.550 20 0 EHADRM CC(C)(CC(=O)OCc1ccccc1CC(=O)[O-])c1ccccc1 ZINC000833456979 605055304 /nfs/dbraw/zinc/05/53/04/605055304.db2.gz FURQXQIISRKFHL-UHFFFAOYSA-N -1 0 326.392 3.725 20 0 EHADRM CCc1ccc([C@H](C)C(=O)Nc2nc3c(cccc3C(=O)[O-])[nH]2)cc1 ZINC000833670505 605059501 /nfs/dbraw/zinc/05/95/01/605059501.db2.gz NCDKRNFXAZWCJF-NSHDSACASA-N -1 0 337.379 3.566 20 0 EHADRM CC(C)[C@H]1C[C@H](CC(=O)Nc2cc(C(=O)[O-])ccc2Cl)CCO1 ZINC000833469811 605060179 /nfs/dbraw/zinc/06/01/79/605060179.db2.gz DCWOABFOTABPNB-IAQYHMDHSA-N -1 0 339.819 3.818 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Cc1csc2ccc(Cl)cc12 ZINC000263255721 605063633 /nfs/dbraw/zinc/06/36/33/605063633.db2.gz KWAZFELTAKIXAN-UHFFFAOYSA-N -1 0 339.844 3.857 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)O[C@@H](c1ccccc1)c1ccccn1 ZINC000833456425 605067329 /nfs/dbraw/zinc/06/73/29/605067329.db2.gz NBDWVKYILLKSSC-SFHVURJKSA-N -1 0 327.380 3.605 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N(Cc1ccc(F)cc1)CC(F)(F)F ZINC000833451707 605068733 /nfs/dbraw/zinc/06/87/33/605068733.db2.gz WQCJMJQUPHAXAY-UHFFFAOYSA-N -1 0 349.324 3.608 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NCc1nc(C(F)(F)F)cs1)c1ccccc1 ZINC000833408888 605076828 /nfs/dbraw/zinc/07/68/28/605076828.db2.gz YXWDEMAWXJATSI-ZANVPECISA-N -1 0 344.358 3.714 20 0 EHADRM CCc1ccc(CN(C(=O)C2CCC(C(=O)[O-])CC2)C2CC2)cc1 ZINC000194390614 605079570 /nfs/dbraw/zinc/07/95/70/605079570.db2.gz DPOJVXGPXSSMRB-UHFFFAOYSA-N -1 0 329.440 3.631 20 0 EHADRM C[C@H](c1nc2ccccc2s1)N(C)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000194437411 605081928 /nfs/dbraw/zinc/08/19/28/605081928.db2.gz IESBWIQQJKPBLR-PNESKVBLSA-N -1 0 346.452 3.707 20 0 EHADRM CC1(C)CC[C@@H](C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)C1 ZINC000833556990 605085122 /nfs/dbraw/zinc/08/51/22/605085122.db2.gz CKLCNNPNXVNVTD-ZWNOBZJWSA-N -1 0 327.783 3.547 20 0 EHADRM CC(C)[C@H]1c2ccccc2CCN1C(=O)C1CCC(C(=O)[O-])CC1 ZINC000833474051 605089931 /nfs/dbraw/zinc/08/99/31/605089931.db2.gz UNLOKQSCKOIZEK-HTWSVDAQSA-N -1 0 329.440 3.659 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccccc1N1CCCCC1)C(=O)[O-] ZINC000424478114 605091487 /nfs/dbraw/zinc/09/14/87/605091487.db2.gz WYPVEDCJFRCSAT-UHFFFAOYSA-N -1 0 347.459 3.689 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NCC2(C3CC3)CCC2)cc1 ZINC000391513035 605102443 /nfs/dbraw/zinc/10/24/43/605102443.db2.gz HMJHLZFEEGTRKS-UHFFFAOYSA-N -1 0 330.428 3.751 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cccc(CC(F)(F)F)c1)C(=O)[O-] ZINC000424378895 605102986 /nfs/dbraw/zinc/10/29/86/605102986.db2.gz HJZCVARLEHVZSR-UHFFFAOYSA-N -1 0 346.349 3.804 20 0 EHADRM C[C@@H]1CC[C@@H](NC(=O)c2ccc(C(=O)[O-])c(F)c2)c2ccccc21 ZINC000833604520 605109160 /nfs/dbraw/zinc/10/91/60/605109160.db2.gz TXMJKPJEVUGWJR-PIGZYNQJSA-N -1 0 327.355 3.892 20 0 EHADRM CC(C)(NC(=O)CCCCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000833460141 605145097 /nfs/dbraw/zinc/14/50/97/605145097.db2.gz UDNHDFBJWYXDHP-UHFFFAOYSA-N -1 0 332.227 3.686 20 0 EHADRM CCn1c(Cc2ccccc2)nnc1S[C@@H](CC(C)(C)C)C(=O)[O-] ZINC000833684320 605148877 /nfs/dbraw/zinc/14/88/77/605148877.db2.gz XWORUOMYBNPXOQ-AWEZNQCLSA-N -1 0 347.484 3.870 20 0 EHADRM CC1(c2ccccc2)CCN(C(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC000833574084 605152228 /nfs/dbraw/zinc/15/22/28/605152228.db2.gz PUCCREPQQORTPO-UHFFFAOYSA-N -1 0 338.407 3.970 20 0 EHADRM C[C@@H]1CCC[C@H](OCCCCCC(=O)N2CCCC[C@H]2C(=O)[O-])C1 ZINC000833608128 605152404 /nfs/dbraw/zinc/15/24/04/605152404.db2.gz MHVXCFHQBIDZCW-IKGGRYGDSA-N -1 0 339.476 3.608 20 0 EHADRM C[C@]12CC3CC(C(=O)Nc4cncc(C(=O)[O-])c4)(C1)C[C@@](C)(C3)C2 ZINC000325415535 605166241 /nfs/dbraw/zinc/16/62/41/605166241.db2.gz UWXCUTAHECQFKH-CMXJYWLISA-N -1 0 328.412 3.715 20 0 EHADRM Cc1cc(Cl)ncc1OCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833744605 605190003 /nfs/dbraw/zinc/19/00/03/605190003.db2.gz KFYHXOIUTDKFSP-UHFFFAOYSA-N -1 0 344.754 3.976 20 0 EHADRM CC(C)(CCC(=O)N[C@H](C(=O)[O-])c1cccs1)c1ccccc1 ZINC000448995965 605191064 /nfs/dbraw/zinc/19/10/64/605191064.db2.gz QZMFSGPISCIQDP-INIZCTEOSA-N -1 0 331.437 3.748 20 0 EHADRM CC(C)(C)Cc1csc(NC(=O)Cc2ccccc2C(=O)[O-])n1 ZINC000833430500 605198678 /nfs/dbraw/zinc/19/86/78/605198678.db2.gz QNDNPQIOZZOSSQ-UHFFFAOYSA-N -1 0 332.425 3.611 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)C2(c3ccc(F)cc3F)CCC2)cc1 ZINC000262850550 605202772 /nfs/dbraw/zinc/20/27/72/605202772.db2.gz TZXQKEVTNLPSQD-UHFFFAOYSA-N -1 0 345.345 3.652 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2(c3ccc(F)cc3F)CCC2)cc1F ZINC000761749221 605218193 /nfs/dbraw/zinc/21/81/93/605218193.db2.gz IQXVZQMERBJXDT-UHFFFAOYSA-N -1 0 349.308 3.863 20 0 EHADRM CCC(CC)n1nc(C)cc1-c1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000833641914 605230437 /nfs/dbraw/zinc/23/04/37/605230437.db2.gz RZCIRSLEUQLITD-UHFFFAOYSA-N -1 0 340.383 3.968 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)c1ccc([C@@H]2CCCOC2)cc1)C(=O)[O-] ZINC000833430008 605239348 /nfs/dbraw/zinc/23/93/48/605239348.db2.gz RRUPKOVUWUFWHN-CVEARBPZSA-N -1 0 334.412 3.627 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000573444695 605243897 /nfs/dbraw/zinc/24/38/97/605243897.db2.gz BNLRPWUIJHDYLN-UHFFFAOYSA-N -1 0 329.400 3.812 20 0 EHADRM CC(C)(C)OCc1ccc(NC(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC000833445397 605255604 /nfs/dbraw/zinc/25/56/04/605255604.db2.gz GSJNURZUBBVWRE-UHFFFAOYSA-N -1 0 341.407 3.881 20 0 EHADRM Cc1ccc(NC2CCN(C(=O)[O-])CC2)cc1NC(=O)C(C)(C)C ZINC000830396344 605255729 /nfs/dbraw/zinc/25/57/29/605255729.db2.gz YXALKXKXWRPGMS-UHFFFAOYSA-N -1 0 333.432 3.534 20 0 EHADRM CCn1c(CNc2ccc(NC(=O)[O-])c(F)c2)nc2ccccc21 ZINC000833682515 605268146 /nfs/dbraw/zinc/26/81/46/605268146.db2.gz BHGBQMCTXDOFRF-UHFFFAOYSA-N -1 0 328.347 3.897 20 0 EHADRM CN(Cc1ccc(NC(=O)CCCc2ccsc2)cc1)C(=O)[O-] ZINC000833695125 605274452 /nfs/dbraw/zinc/27/44/52/605274452.db2.gz IBQIQUGFJRWXFV-UHFFFAOYSA-N -1 0 332.425 3.819 20 0 EHADRM CC(C)[C@H](C)C(=O)O[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000833469410 605283609 /nfs/dbraw/zinc/28/36/09/605283609.db2.gz WWZCFYFWHOEZRW-GWCFXTLKSA-N -1 0 332.318 3.536 20 0 EHADRM Cc1ccc(F)c(N[C@@H](C)CC(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000833749638 605300603 /nfs/dbraw/zinc/30/06/03/605300603.db2.gz QQOMUHNCXFXDPB-LBPRGKRZSA-N -1 0 330.359 3.662 20 0 EHADRM CC(C)(C(=O)Nc1ccc(NC(=O)[O-])c(F)c1)c1cccc(F)c1 ZINC000833411321 605304863 /nfs/dbraw/zinc/30/48/63/605304863.db2.gz CHERJZOZBVOILJ-UHFFFAOYSA-N -1 0 334.322 3.971 20 0 EHADRM CC(C)Cc1nc(C(=O)OCc2ccc(NC(=O)[O-])cc2)cs1 ZINC000833494473 605305078 /nfs/dbraw/zinc/30/50/78/605305078.db2.gz RDBBGFKAOJPSNR-UHFFFAOYSA-N -1 0 334.397 3.789 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cccs1)c1ccc(C(F)(F)F)cc1 ZINC000833773526 605310914 /nfs/dbraw/zinc/31/09/14/605310914.db2.gz WQBHHWUDXZGDIX-NSHDSACASA-N -1 0 343.326 3.713 20 0 EHADRM C[C@@H](OC(=O)c1csc(-c2cccc3ccccc32)n1)C(=O)[O-] ZINC000833535115 605313667 /nfs/dbraw/zinc/31/36/67/605313667.db2.gz DIXPJZROVLECRZ-SNVBAGLBSA-N -1 0 327.361 3.593 20 0 EHADRM C[C@H](OC(=O)c1csc(-c2cccc3ccccc32)n1)C(=O)[O-] ZINC000833535111 605313732 /nfs/dbraw/zinc/31/37/32/605313732.db2.gz DIXPJZROVLECRZ-JTQLQIEISA-N -1 0 327.361 3.593 20 0 EHADRM COCCC[C@H](C)C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000833725471 605314648 /nfs/dbraw/zinc/31/46/48/605314648.db2.gz ZDSYCUGDXRBVPQ-TVQRCGJNSA-N -1 0 349.210 3.725 20 0 EHADRM C[C@@H](OC(=O)CN(C(=O)[O-])c1ccccc1)c1ncc(C(C)(C)C)o1 ZINC000825586656 605316962 /nfs/dbraw/zinc/31/69/62/605316962.db2.gz SKDTXNQKELDRNG-GFCCVEGCSA-N -1 0 346.383 3.761 20 0 EHADRM C[C@@H]1CCC[C@H]1C(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC000833607802 605340682 /nfs/dbraw/zinc/34/06/82/605340682.db2.gz HBLLZCMEGSBBQN-DGCLKSJQSA-N -1 0 344.436 3.812 20 0 EHADRM CCc1ccc([C@H]2CCCN2C(=O)CN(C(=O)[O-])c2ccccc2)o1 ZINC000827584374 605347343 /nfs/dbraw/zinc/34/73/43/605347343.db2.gz QOWZKAWWLAVJKB-MRXNPFEDSA-N -1 0 342.395 3.690 20 0 EHADRM CC[C@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2)CC[C@@H]1NC(=O)[O-] ZINC000833852184 605360001 /nfs/dbraw/zinc/36/00/01/605360001.db2.gz YLSOZCVTMYYJKT-ZANVPECISA-N -1 0 345.226 3.502 20 0 EHADRM Cc1nnc(SC2CCN(C(=O)[O-])CC2)n1[C@H]1CCC[C@@H](C)C1 ZINC000833928875 605388521 /nfs/dbraw/zinc/38/85/21/605388521.db2.gz VCEWFPRDABQLRZ-YPMHNXCESA-N -1 0 338.477 3.572 20 0 EHADRM Cc1ccc(C(=O)N(C)[C@@H](C)c2cccc(O)c2)cc1NC(=O)[O-] ZINC000830182074 605398571 /nfs/dbraw/zinc/39/85/71/605398571.db2.gz PHNHIPOHVKJWBG-LBPRGKRZSA-N -1 0 328.368 3.624 20 0 EHADRM Cc1ccc(C[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000192845235 605416848 /nfs/dbraw/zinc/41/68/48/605416848.db2.gz PEOUVQXNGHISRA-CRAIPNDOSA-N -1 0 325.408 3.506 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cc1 ZINC000833748840 605448171 /nfs/dbraw/zinc/44/81/71/605448171.db2.gz VXDHTNDQINLBBW-HNNXBMFYSA-N -1 0 340.423 3.922 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000761745029 605462224 /nfs/dbraw/zinc/46/22/24/605462224.db2.gz AHTWOBGNGXJDEL-UHFFFAOYSA-N -1 0 337.734 3.828 20 0 EHADRM CC(=Cc1ccc(C)cc1)C(=O)OCC(=O)c1cccc(C(=O)[O-])c1 ZINC000833384347 605463187 /nfs/dbraw/zinc/46/31/87/605463187.db2.gz PVEBJSPQBSOFQA-UVTDQMKNSA-N -1 0 338.359 3.523 20 0 EHADRM CCCN(C(=O)Nc1cccc(CC)c1)C1CCN(C(=O)[O-])CC1 ZINC000826879451 605539296 /nfs/dbraw/zinc/53/92/96/605539296.db2.gz MJZUWTGJZFAXJB-UHFFFAOYSA-N -1 0 333.432 3.635 20 0 EHADRM CCCN(C(=O)N[C@@H](CC)c1ccccc1)C1CCN(C(=O)[O-])CC1 ZINC000826867681 605592316 /nfs/dbraw/zinc/59/23/16/605592316.db2.gz ZBPNBBGIAMFCFL-KRWDZBQOSA-N -1 0 347.459 3.702 20 0 EHADRM COc1c(C)ccc(NC(=O)c2ccc(NC(=O)[O-])c(C)c2)c1C ZINC000829067675 605607365 /nfs/dbraw/zinc/60/73/65/605607365.db2.gz ZDCXIPHNZCQTHZ-UHFFFAOYSA-N -1 0 328.368 3.963 20 0 EHADRM O=C([O-])N[C@@H](CC(=O)N1CCCC[C@H]1c1ccco1)c1ccccc1 ZINC000834124696 605610228 /nfs/dbraw/zinc/61/02/28/605610228.db2.gz YKVMCGIHUZXESW-HOTGVXAUSA-N -1 0 342.395 3.732 20 0 EHADRM O=C([O-])NC1CCC(Nc2ccc3oc(C(F)(F)F)nc3c2)CC1 ZINC000834169987 605642908 /nfs/dbraw/zinc/64/29/08/605642908.db2.gz WMZLAYYSMXFYAX-UHFFFAOYSA-N -1 0 343.305 3.837 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CC[C@H]2c2ccc(Cl)cc2)c(O)c1 ZINC000834258820 605654282 /nfs/dbraw/zinc/65/42/82/605654282.db2.gz SHTMNXIBZXSANS-AWEZNQCLSA-N -1 0 346.770 3.723 20 0 EHADRM Cc1cc(C(=O)NC[C@H]2CCCO[C@@H]2C(C)(C)C)ccc1NC(=O)[O-] ZINC000829947122 605695375 /nfs/dbraw/zinc/69/53/75/605695375.db2.gz VPDUYWSONNPKCC-ZBFHGGJFSA-N -1 0 348.443 3.656 20 0 EHADRM Cc1cc(C(=O)NC2(c3ccccc3F)CC2)ccc1NC(=O)[O-] ZINC000829939364 605695383 /nfs/dbraw/zinc/69/53/83/605695383.db2.gz DDDHDRVEFOGGDI-UHFFFAOYSA-N -1 0 328.343 3.643 20 0 EHADRM C/C(=C\CN[C@H](c1ccccc1C(F)(F)F)C(F)(F)F)C(=O)[O-] ZINC000833386187 605701796 /nfs/dbraw/zinc/70/17/96/605701796.db2.gz VVHTUWVGIVSEPZ-LXSSAFMLSA-N -1 0 341.251 3.929 20 0 EHADRM Cc1csc([C@H](NC(=O)c2ccc(NC(=O)[O-])c(C)c2)C2CC2)n1 ZINC000830660120 605702461 /nfs/dbraw/zinc/70/24/61/605702461.db2.gz ACQDKNPKDPCJSS-CQSZACIVSA-N -1 0 345.424 3.731 20 0 EHADRM Cc1cnc(C(C)(C)NC(=O)c2ccc(NC(=O)[O-])c(C)c2)s1 ZINC000830624790 605710655 /nfs/dbraw/zinc/71/06/55/605710655.db2.gz LTQKYZMRZXLGAG-UHFFFAOYSA-N -1 0 333.413 3.515 20 0 EHADRM CCOC(=O)Cc1ccccc1NCc1cc(C(=O)[O-])ccc1Cl ZINC000833658872 605784489 /nfs/dbraw/zinc/78/44/89/605784489.db2.gz MLRYHAFVSUTGKH-UHFFFAOYSA-N -1 0 347.798 3.756 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CN(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)CC2 ZINC000191654086 605795098 /nfs/dbraw/zinc/79/50/98/605795098.db2.gz BWZHAVHAAQJOLV-HZPDHXFCSA-N -1 0 343.467 3.760 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)Nc2ccc(-c3ncco3)cc2)c1 ZINC000834266336 605803881 /nfs/dbraw/zinc/80/38/81/605803881.db2.gz OMDINDWBBRUPIB-UHFFFAOYSA-N -1 0 337.335 3.613 20 0 EHADRM CCOc1cc(N[C@H]2C[C@@H](NC(=O)[O-])c3ccccc32)ccc1OC ZINC000833862504 605806774 /nfs/dbraw/zinc/80/67/74/605806774.db2.gz YAJCLLKHGJCYFV-JKSUJKDBSA-N -1 0 342.395 3.960 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)OCc2cc(C(=O)[O-])ccc2Cl)c1C ZINC000833401489 605808509 /nfs/dbraw/zinc/80/85/09/605808509.db2.gz XJCWVUKNVYYJNM-UHFFFAOYSA-N -1 0 349.770 3.543 20 0 EHADRM COc1cc(N[C@H]2C[C@H](NC(=O)[O-])c3ccccc32)cc(OC)c1 ZINC000833887583 605809514 /nfs/dbraw/zinc/80/95/14/605809514.db2.gz IKLZUTVNODABKK-IRXDYDNUSA-N -1 0 328.368 3.569 20 0 EHADRM O=C([O-])c1ccc(F)c(COC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000833781265 605814379 /nfs/dbraw/zinc/81/43/79/605814379.db2.gz XPSCEFYLMLLKIN-PWSUYJOCSA-N -1 0 348.292 3.936 20 0 EHADRM CCCN(C(=O)c1cccc2ccccc21)C1CCN(C(=O)[O-])CC1 ZINC000826887452 605880438 /nfs/dbraw/zinc/88/04/38/605880438.db2.gz SJORUHZYRKIOLR-UHFFFAOYSA-N -1 0 340.423 3.834 20 0 EHADRM Cc1csc(CCCCNC(=O)c2ccc(NC(=O)[O-])c(C)c2)n1 ZINC000830661120 605898542 /nfs/dbraw/zinc/89/85/42/605898542.db2.gz QZYVWHNPMLRYPP-UHFFFAOYSA-N -1 0 347.440 3.603 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N2CC[C@H]2Cc2ccccc2)cc1 ZINC000834262996 605927845 /nfs/dbraw/zinc/92/78/45/605927845.db2.gz PHSMADYAZAINSS-INIZCTEOSA-N -1 0 325.368 3.625 20 0 EHADRM Cc1nc(NC(=O)[O-])sc1C(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000833913375 605940741 /nfs/dbraw/zinc/94/07/41/605940741.db2.gz AFIHTLPGZSZHGL-SECBINFHSA-N -1 0 337.376 3.514 20 0 EHADRM CN(CCCNC(=O)N(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000833873172 605950645 /nfs/dbraw/zinc/95/06/45/605950645.db2.gz RQLMAKGFNHHNDW-UHFFFAOYSA-N -1 0 327.384 3.534 20 0 EHADRM O=C([O-])N1CCC(NC(=O)N(c2ccccc2)c2ccccc2)CC1 ZINC000834087601 605951825 /nfs/dbraw/zinc/95/18/25/605951825.db2.gz ZSHYJTJJUBRTRO-UHFFFAOYSA-N -1 0 339.395 3.677 20 0 EHADRM O=C([O-])NC1(c2noc([C@H](c3ccccc3)C3CC3)n2)CCCC1 ZINC000834157967 606010214 /nfs/dbraw/zinc/01/02/14/606010214.db2.gz NIDQZMAFABCMHS-CQSZACIVSA-N -1 0 327.384 3.648 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NC[C@@H]1Cc2ccccc21 ZINC000833906769 606011112 /nfs/dbraw/zinc/01/11/12/606011112.db2.gz LECSAWIXOWSXOS-ZDUSSCGKSA-N -1 0 325.368 3.546 20 0 EHADRM Cc1noc(C)c1[C@@H](C)C(=O)OCCCc1cccc(NC(=O)[O-])c1 ZINC000833929372 606023084 /nfs/dbraw/zinc/02/30/84/606023084.db2.gz UDFUSPKPMWYYSH-LLVKDONJSA-N -1 0 346.383 3.661 20 0 EHADRM O=C([O-])Nc1cc2c(cc1NC(=O)CCCc1ccsc1)OCO2 ZINC000834256404 606031426 /nfs/dbraw/zinc/03/14/26/606031426.db2.gz MAHGVMKNZVVIMQ-UHFFFAOYSA-N -1 0 348.380 3.528 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000834273137 606042603 /nfs/dbraw/zinc/04/26/03/606042603.db2.gz SYSDDCQOTMQGMX-OFQRWUPVSA-N -1 0 330.428 3.794 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)Nc1ccccc1OCC1CC1 ZINC000834274797 606065303 /nfs/dbraw/zinc/06/53/03/606065303.db2.gz XJSOOFNCNYCNMA-UHFFFAOYSA-N -1 0 340.379 3.747 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)OCc1nc2ccccc2s1 ZINC000834275184 606090194 /nfs/dbraw/zinc/09/01/94/606090194.db2.gz REKRKIPIZNIZPC-UHFFFAOYSA-N -1 0 342.376 3.672 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)O[C@H](C1CCCC1)C(F)(F)F ZINC000834273361 606093604 /nfs/dbraw/zinc/09/36/04/606093604.db2.gz LTMIABPQQVGGHY-CQSZACIVSA-N -1 0 345.317 3.983 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc(F)ccc1F)c1ccc2ccccc2c1 ZINC000191478151 939037267 /nfs/dbraw/zinc/03/72/67/939037267.db2.gz ZUBDKJYHGPNZRF-QGZVFWFLSA-N -1 0 341.313 3.674 20 0 EHADRM O=C([O-])[C@@]1(NC(=O)Nc2cccc(C(F)F)c2)CCc2ccccc21 ZINC000684748318 939051029 /nfs/dbraw/zinc/05/10/29/939051029.db2.gz PMAZWQQNHZDWTQ-GOSISDBHSA-N -1 0 346.333 3.672 20 0 EHADRM O=C([O-])C1(NC(=O)Cc2cccc3ccccc32)CCCCCC1 ZINC000237932934 939052266 /nfs/dbraw/zinc/05/22/66/939052266.db2.gz YPYASJBFHGKXOF-UHFFFAOYSA-N -1 0 325.408 3.676 20 0 EHADRM O=C([O-])C1(NC(=O)/C=C/c2ccc(-c3ccc(F)cc3)s2)CCC1 ZINC000237960624 939052518 /nfs/dbraw/zinc/05/25/18/939052518.db2.gz LYVSMIITWDFLPP-VQHVLOKHSA-N -1 0 345.395 3.691 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(OC2CCCC2)cc1)c1ccccc1 ZINC000238018938 939054494 /nfs/dbraw/zinc/05/44/94/939054494.db2.gz SSUZRLMPNQGVQB-SFHVURJKSA-N -1 0 339.391 3.564 20 0 EHADRM O=C([O-])[C@@H](NC(=O)/C=C\c1cccc(F)c1)c1ccc2ccccc2c1 ZINC000762204965 939070755 /nfs/dbraw/zinc/07/07/55/939070755.db2.gz BXYDHDJBJMXJCE-WUQYLLKWSA-N -1 0 349.361 3.934 20 0 EHADRM CC(C)(CC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1)C(F)(F)F ZINC000263546176 939114799 /nfs/dbraw/zinc/11/47/99/939114799.db2.gz UFODNIGUCONTOB-LLVKDONJSA-N -1 0 337.725 3.561 20 0 EHADRM CCC1CCC(NC(=O)Nc2ccc(F)cc2F)(C(=O)[O-])CC1 ZINC000320372670 939123316 /nfs/dbraw/zinc/12/33/16/939123316.db2.gz UFVMESDUPALBDZ-UHFFFAOYSA-N -1 0 326.343 3.510 20 0 EHADRM C[C@@](NC(=O)CSc1ccc(Cl)cc1)(C(=O)[O-])c1ccccc1 ZINC000320573574 939123416 /nfs/dbraw/zinc/12/34/16/939123416.db2.gz WHIOURQDJWFMTL-KRWDZBQOSA-N -1 0 349.839 3.548 20 0 EHADRM Cc1cc(OC(C)C)ccc1NC(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC000780451642 939123617 /nfs/dbraw/zinc/12/36/17/939123617.db2.gz PQSOIPPCFQAVRR-QGZVFWFLSA-N -1 0 348.443 3.937 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000320264439 939123688 /nfs/dbraw/zinc/12/36/88/939123688.db2.gz KGNHKKCOWDXIRS-KRWDZBQOSA-N -1 0 332.787 3.770 20 0 EHADRM Cc1cc([C@H](C)NC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)c(C)s1 ZINC000320829985 939123974 /nfs/dbraw/zinc/12/39/74/939123974.db2.gz NJVYXIYZSCKDCA-XHDPSFHLSA-N -1 0 338.473 3.759 20 0 EHADRM O=C([O-])C1(NC(=O)c2cc3ccc(F)cc3s2)CCCCCC1 ZINC000321277811 939124374 /nfs/dbraw/zinc/12/43/74/939124374.db2.gz GVRTYLCGFZYZAI-UHFFFAOYSA-N -1 0 335.400 3.948 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC000325132491 939126143 /nfs/dbraw/zinc/12/61/43/939126143.db2.gz MWSGKZMOZMAAOM-MRXNPFEDSA-N -1 0 334.416 3.629 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1cccc2ccccc21)C1CCCCC1 ZINC000324496511 939126337 /nfs/dbraw/zinc/12/63/37/939126337.db2.gz PVVIJLVXDKNJQE-QGZVFWFLSA-N -1 0 326.396 3.995 20 0 EHADRM CCc1cc(NC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)ccc1C ZINC000326213438 939127077 /nfs/dbraw/zinc/12/70/77/939127077.db2.gz FNXOTKOJAHQGJP-IBGZPJMESA-N -1 0 326.396 3.679 20 0 EHADRM O=C([O-])[C@H](NC(=O)CCC1CCCC1)c1ccc(Cl)c(F)c1 ZINC000345798743 939128334 /nfs/dbraw/zinc/12/83/34/939128334.db2.gz IJGHLZAASVLOPA-OAHLLOKOSA-N -1 0 327.783 3.691 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000342552813 939128499 /nfs/dbraw/zinc/12/84/99/939128499.db2.gz ZQNVYDJBNOLUFX-UHFFFAOYSA-N -1 0 335.400 3.866 20 0 EHADRM C[C@@](NC(=O)c1ccc2sccc2c1)(C(=O)[O-])c1ccccc1 ZINC000386193121 939132810 /nfs/dbraw/zinc/13/28/10/939132810.db2.gz CGLUTBOLSNLQPZ-SFHVURJKSA-N -1 0 325.389 3.631 20 0 EHADRM C[C@](NC(=O)c1ccc2sccc2c1)(C(=O)[O-])c1ccccc1 ZINC000386193120 939132875 /nfs/dbraw/zinc/13/28/75/939132875.db2.gz CGLUTBOLSNLQPZ-GOSISDBHSA-N -1 0 325.389 3.631 20 0 EHADRM CC[C@@H](NC(=O)NC1(C(=O)[O-])CCCC1)c1ccc(Cl)s1 ZINC000780574623 939136672 /nfs/dbraw/zinc/13/66/72/939136672.db2.gz YUJIZPMIZFZIAB-SECBINFHSA-N -1 0 330.837 3.549 20 0 EHADRM CC[C@](NC(=O)/C=C\c1cccs1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000795541321 939157362 /nfs/dbraw/zinc/15/73/62/939157362.db2.gz NECSEKCKQBNQNQ-DOOKAGJSSA-N -1 0 349.839 3.921 20 0 EHADRM CC[C@@](NC(=O)/C=C\c1cccs1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000795541323 939157398 /nfs/dbraw/zinc/15/73/98/939157398.db2.gz NECSEKCKQBNQNQ-IBSYWUHOSA-N -1 0 349.839 3.921 20 0 EHADRM COc1ccc([C@H](NC(=O)c2cc(C)c(C)cc2Cl)C(=O)[O-])cc1 ZINC000431809866 939161472 /nfs/dbraw/zinc/16/14/72/939161472.db2.gz LWOQRJJSNAQDGM-INIZCTEOSA-N -1 0 347.798 3.521 20 0 EHADRM CCCC[C@H](CC)C(=O)N[C@@H](C(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000447892327 939204660 /nfs/dbraw/zinc/20/46/60/939204660.db2.gz GWUFPCZKUAJQBM-SMDDNHRTSA-N -1 0 343.370 3.746 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)N[C@H](C(=O)[O-])c2cccs2)cc1 ZINC000448987689 939205117 /nfs/dbraw/zinc/20/51/17/939205117.db2.gz CAURSTZMULUHHL-SJCJKPOMSA-N -1 0 331.437 3.746 20 0 EHADRM CC[C@H](CC(=O)N[C@@H](C(=O)[O-])c1cccs1)c1ccc(C)cc1 ZINC000448992837 939205487 /nfs/dbraw/zinc/20/54/87/939205487.db2.gz MHIRYBOMOFBSLK-CXAGYDPISA-N -1 0 331.437 3.882 20 0 EHADRM CC(C)c1ccc(CCC(=O)N[C@H](C(=O)[O-])c2cccs2)cc1 ZINC000448993202 939205667 /nfs/dbraw/zinc/20/56/67/939205667.db2.gz MSKZLIPHXJGWOI-KRWDZBQOSA-N -1 0 331.437 3.746 20 0 EHADRM CSCc1cccc(NC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000797743778 939205888 /nfs/dbraw/zinc/20/58/88/939205888.db2.gz OIENLFKRHWHYLL-SFHVURJKSA-N -1 0 344.436 3.671 20 0 EHADRM C/C(=C\C(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000836750252 939224028 /nfs/dbraw/zinc/22/40/28/939224028.db2.gz HULJTQHINIRUTR-DYLHUKMJSA-N -1 0 342.222 3.766 20 0 EHADRM CC[C@](NC(=O)c1csc(C(C)(C)C)n1)(C(=O)[O-])c1ccccc1 ZINC000485377590 939228297 /nfs/dbraw/zinc/22/82/97/939228297.db2.gz MFCYXZNXATYZBB-GOSISDBHSA-N -1 0 346.452 3.561 20 0 EHADRM CC[C@@](NC(=O)c1cccc(F)c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507298103 939232472 /nfs/dbraw/zinc/23/24/72/939232472.db2.gz ICEDZJHJYHGZEQ-KRWDZBQOSA-N -1 0 335.762 3.599 20 0 EHADRM CC[C@@](NC(=O)c1ccc(F)cc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507311968 939234383 /nfs/dbraw/zinc/23/43/83/939234383.db2.gz PXMOLJRRKYBXNF-KRWDZBQOSA-N -1 0 335.762 3.599 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1cccc(SC(F)F)c1)C1CCCC1 ZINC000852951550 939240836 /nfs/dbraw/zinc/24/08/36/939240836.db2.gz QZPKBKDFTSKUOJ-GFCCVEGCSA-N -1 0 329.368 3.831 20 0 EHADRM CCOc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1 ZINC000518470920 939250069 /nfs/dbraw/zinc/25/00/69/939250069.db2.gz KBJACZKJTRUUCX-QGZVFWFLSA-N -1 0 342.395 3.650 20 0 EHADRM CSCc1cccc(NC(=O)N[C@H](C(=O)[O-])c2cccs2)c1 ZINC000519581776 939252529 /nfs/dbraw/zinc/25/25/29/939252529.db2.gz RRPBNBLNYQHFEJ-ZDUSSCGKSA-N -1 0 336.438 3.559 20 0 EHADRM CC[C@@](NC(=O)c1sccc1C(F)F)(C(=O)[O-])c1ccccc1 ZINC000872711899 939262400 /nfs/dbraw/zinc/26/24/00/939262400.db2.gz QFHZAMSOVQEEBQ-INIZCTEOSA-N -1 0 339.363 3.806 20 0 EHADRM CCCn1ccc2cc(NC(=O)NC3(C(=O)[O-])CCCCC3)ccc21 ZINC000563922666 939342072 /nfs/dbraw/zinc/34/20/72/939342072.db2.gz RIPVVXZSAJSASL-UHFFFAOYSA-N -1 0 343.427 3.960 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N[C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC000566864344 939358181 /nfs/dbraw/zinc/35/81/81/939358181.db2.gz BSWPBQCYJKSFCL-SJKOYZFVSA-N -1 0 331.437 3.746 20 0 EHADRM CC[C@@](NC(=O)c1cscc1C(F)F)(C(=O)[O-])c1ccccc1 ZINC000908941032 939359414 /nfs/dbraw/zinc/35/94/14/939359414.db2.gz PLEMHGOYERQIPP-INIZCTEOSA-N -1 0 339.363 3.806 20 0 EHADRM O=C([O-])[C@@H](NC(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cccs1 ZINC000568584779 939368569 /nfs/dbraw/zinc/36/85/69/939368569.db2.gz QHHPFIKFPIFXKX-JLNYLFASSA-N -1 0 336.457 3.532 20 0 EHADRM CCC[C@H](Cc1ccccc1)NC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000570423830 939383383 /nfs/dbraw/zinc/38/33/83/939383383.db2.gz OXZKOZLXKPLNKA-MSOLQXFVSA-N -1 0 340.423 3.523 20 0 EHADRM CCSc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccsc2)c1 ZINC000571742157 939394054 /nfs/dbraw/zinc/39/40/54/939394054.db2.gz SSTLZQHDZMWNGA-CYBMUJFWSA-N -1 0 336.438 3.808 20 0 EHADRM O=C([O-])[C@H](NC(=O)NCc1cccc2ccccc21)c1ccsc1 ZINC000572075797 939396068 /nfs/dbraw/zinc/39/60/68/939396068.db2.gz HKAAFQRUHWCLHS-MRXNPFEDSA-N -1 0 340.404 3.526 20 0 EHADRM Cc1cc(C)cc([C@H](NC(=O)c2cscc2C(F)F)C(=O)[O-])c1 ZINC000909790797 939728366 /nfs/dbraw/zinc/72/83/66/939728366.db2.gz DDUYTQGGYYEBAL-ZDUSSCGKSA-N -1 0 339.363 3.858 20 0 EHADRM Cc1cc(C)cc([C@@H](NC(=O)c2cscc2C(F)F)C(=O)[O-])c1 ZINC000909790796 939728621 /nfs/dbraw/zinc/72/86/21/939728621.db2.gz DDUYTQGGYYEBAL-CYBMUJFWSA-N -1 0 339.363 3.858 20 0 EHADRM Cc1cc(F)cc(NC(=O)N[C@H](C(=O)[O-])c2ccc(F)c(C)c2)c1 ZINC000575821548 939734808 /nfs/dbraw/zinc/73/48/08/939734808.db2.gz RUTNTZTUWZYONE-HNNXBMFYSA-N -1 0 334.322 3.529 20 0 EHADRM C[C@@H]1CCC[C@H]1NC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000577817038 939749551 /nfs/dbraw/zinc/74/95/51/939749551.db2.gz BIVMNHFACYMAHT-WQHBLYJGSA-N -1 0 345.226 3.607 20 0 EHADRM CC[C@@H](NC(=O)N[C@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000578542372 939755193 /nfs/dbraw/zinc/75/51/93/939755193.db2.gz YKAAVWZKSVUDLD-CVEARBPZSA-N -1 0 348.349 3.541 20 0 EHADRM COc1ccc2cc(C(=O)NC3(C(=O)[O-])CCCCCC3)ccc2c1 ZINC001116788090 939810475 /nfs/dbraw/zinc/81/04/75/939810475.db2.gz FEIFOCGTENJHKA-UHFFFAOYSA-N -1 0 341.407 3.756 20 0 EHADRM CCC[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1)c1ccccn1 ZINC000630201072 939817269 /nfs/dbraw/zinc/81/72/69/939817269.db2.gz JITIKTFQMQHSGU-AEFFLSMTSA-N -1 0 340.423 3.524 20 0 EHADRM CC(C)(C)CCC(=O)N[C@H](C(=O)[O-])c1ccccc1Br ZINC000659192927 939850396 /nfs/dbraw/zinc/85/03/96/939850396.db2.gz YBDOTVDCAIKZAD-ZDUSSCGKSA-N -1 0 342.233 3.517 20 0 EHADRM Cc1csc(Sc2ccc(NC(=O)[C@H](C(=O)[O-])C3CC3)cc2)n1 ZINC000663073983 939852637 /nfs/dbraw/zinc/85/26/37/939852637.db2.gz GOGTUTVKJIOZSE-CYBMUJFWSA-N -1 0 348.449 3.652 20 0 EHADRM Cc1ccnc(Oc2cc(NC(=O)[C@H](C(=O)[O-])C3CC3)ccc2C)c1 ZINC000663103199 939854930 /nfs/dbraw/zinc/85/49/30/939854930.db2.gz XGUKFQKJJJZHKV-QGZVFWFLSA-N -1 0 340.379 3.540 20 0 EHADRM CC[C@](NC(=O)C[C@@H](C)n1cccc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000671667448 939863387 /nfs/dbraw/zinc/86/33/87/939863387.db2.gz GCWWCPWTZXNXGJ-FZKQIMNGSA-N -1 0 348.830 3.599 20 0 EHADRM Cc1ccc(SCC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)c(C)c1 ZINC000678978041 939868380 /nfs/dbraw/zinc/86/83/80/939868380.db2.gz UAZWGZBUNNXSOC-IBGZPJMESA-N -1 0 343.448 3.512 20 0 EHADRM Cc1cc2c(CC(=O)Nc3cccnc3C(=O)[O-])csc2s1 ZINC001600305486 970795256 /nfs/dbraw/zinc/79/52/56/970795256.db2.gz GRZZAWWUEQSMDO-UHFFFAOYSA-N -1 0 332.406 3.546 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000322016128 970836772 /nfs/dbraw/zinc/83/67/72/970836772.db2.gz FJKYWENTTXYDJT-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM C[C@H]1CCc2sc(C(=O)NCC3(C(=O)[O-])CCCCC3)cc2C1 ZINC000322050002 970841128 /nfs/dbraw/zinc/84/11/28/970841128.db2.gz KLHYOACGLLMVQE-LBPRGKRZSA-N -1 0 335.469 3.638 20 0 EHADRM Cc1ccc(SCCC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)cc1C ZINC000322124727 970849364 /nfs/dbraw/zinc/84/93/64/970849364.db2.gz NXKYTXOGGKXRSE-HNNXBMFYSA-N -1 0 337.485 3.791 20 0 EHADRM O=C([O-])c1ccc([N+](=O)[O-])c(Oc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000322136235 970851080 /nfs/dbraw/zinc/85/10/80/970851080.db2.gz QGTZBFGJJMEJHP-UHFFFAOYSA-N -1 0 338.659 3.647 20 0 EHADRM O=C([O-])CC1(CNC(=O)[C@H]2CCCc3sccc32)CCCCC1 ZINC000322597890 970908210 /nfs/dbraw/zinc/90/82/10/970908210.db2.gz LIZPFBUGTMCKOS-AWEZNQCLSA-N -1 0 335.469 3.709 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)Nc2ccc(CC(F)(F)F)cc2)o1 ZINC001601235916 970959855 /nfs/dbraw/zinc/95/98/55/970959855.db2.gz IIKFJPVWNXXWGT-VURMDHGXSA-N -1 0 339.269 3.735 20 0 EHADRM O=C(/C=C\c1ccc(C(=O)[O-])o1)Nc1ccccc1NC1CCC1 ZINC001601238522 970965222 /nfs/dbraw/zinc/96/52/22/970965222.db2.gz OOSMUMCTOHONOJ-LUAWRHEFSA-N -1 0 326.352 3.594 20 0 EHADRM COc1cc(F)cc(Nc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC000323570964 971018325 /nfs/dbraw/zinc/01/83/25/971018325.db2.gz AHKYILSPYOVEDF-UHFFFAOYSA-N -1 0 340.694 3.838 20 0 EHADRM O=C([O-])CCc1cccc(NCc2ncc(Br)s2)c1 ZINC001611463913 971066780 /nfs/dbraw/zinc/06/67/80/971066780.db2.gz SOIMVHXPPRZGEC-UHFFFAOYSA-N -1 0 341.230 3.535 20 0 EHADRM O=C([O-])[C@H]1Cc2ccccc2N(C(=O)/C=C\c2ccc(Cl)s2)C1 ZINC000324083363 971082807 /nfs/dbraw/zinc/08/28/07/971082807.db2.gz LQFLYPJVZLEKAR-VFFGBVLKSA-N -1 0 347.823 3.705 20 0 EHADRM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1cc2ccccc2s1 ZINC000324127966 971087526 /nfs/dbraw/zinc/08/75/26/971087526.db2.gz RJVVCVXXUDHMHC-HNNXBMFYSA-N -1 0 337.400 3.553 20 0 EHADRM Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])Cc3ccccc32)c(Cl)c1 ZINC000324279751 971104577 /nfs/dbraw/zinc/10/45/77/971104577.db2.gz KNNWVQLDJRIXJU-CYBMUJFWSA-N -1 0 329.783 3.552 20 0 EHADRM C[C@](NC(=O)c1cc2c(s1)CCCCC2)(C(=O)[O-])c1ccccc1 ZINC000324452351 971121544 /nfs/dbraw/zinc/12/15/44/971121544.db2.gz VYUYMCSRXCRGBR-LJQANCHMSA-N -1 0 343.448 3.747 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)Nc2cccc3c2CCCC3)C1 ZINC000324636721 971142351 /nfs/dbraw/zinc/14/23/51/971142351.db2.gz WCYBVENBENJTOX-CQSZACIVSA-N -1 0 330.428 3.674 20 0 EHADRM C[C@@H](NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000324700273 971149692 /nfs/dbraw/zinc/14/96/92/971149692.db2.gz PKCVEVLTZSBJTG-GFCCVEGCSA-N -1 0 346.814 3.941 20 0 EHADRM Cc1c(NC(=O)N[C@@H](C)CCc2ccccc2)cccc1C(=O)[O-] ZINC000324793371 971157252 /nfs/dbraw/zinc/15/72/52/971157252.db2.gz MLXSCEBCUYOYHL-ZDUSSCGKSA-N -1 0 326.396 3.836 20 0 EHADRM C[C@@H]1CCc2c(C(=O)NCCc3ccc(C(=O)[O-])cc3)csc2C1 ZINC000324923866 971170177 /nfs/dbraw/zinc/17/01/77/971170177.db2.gz VKJFNNIUHRZBRJ-GFCCVEGCSA-N -1 0 343.448 3.544 20 0 EHADRM O=C([O-])Cc1ccccc1CNC(=O)c1cc2c(s1)CCCCC2 ZINC000325184134 971192368 /nfs/dbraw/zinc/19/23/68/971192368.db2.gz CLZLOMLHIIIDCZ-UHFFFAOYSA-N -1 0 343.448 3.574 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2C[C@H]2c2cccc3ccccc32)nc1 ZINC001602374499 971190030 /nfs/dbraw/zinc/19/00/30/971190030.db2.gz JKGSUCNOTGPKPO-IRXDYDNUSA-N -1 0 332.359 3.675 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000325235907 971196249 /nfs/dbraw/zinc/19/62/49/971196249.db2.gz GHKILKAFIODEMG-NSHDSACASA-N -1 0 348.321 3.596 20 0 EHADRM O=C([O-])c1cccc(CNc2ccccc2[C@H](O)C(F)(F)F)c1 ZINC001602437790 971197367 /nfs/dbraw/zinc/19/73/67/971197367.db2.gz RLQOXJCNMOLXHU-AWEZNQCLSA-N -1 0 325.286 3.593 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)CCc1ccccc1Cl)CC2 ZINC000325275768 971200692 /nfs/dbraw/zinc/20/06/92/971200692.db2.gz RPQQELYXZFSSGH-UHFFFAOYSA-N -1 0 343.810 3.556 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1cc3ccccc3s1)CC2 ZINC000325349208 971207153 /nfs/dbraw/zinc/20/71/53/971207153.db2.gz KROSRVXEIPWJGO-UHFFFAOYSA-N -1 0 337.400 3.798 20 0 EHADRM FC(F)(F)CCc1cccc(NCc2ccc(-c3nn[nH]n3)o2)c1 ZINC000822718842 946163915 /nfs/dbraw/zinc/16/39/15/946163915.db2.gz RTDRXRSLOLXYSS-UHFFFAOYSA-N -1 0 337.305 3.567 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000325739547 971239464 /nfs/dbraw/zinc/23/94/64/971239464.db2.gz FWYBQQXUAPQULN-UHFFFAOYSA-N -1 0 337.297 3.893 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)c2ccc3ncsc3c2)c2ccccc21 ZINC000325900900 971252779 /nfs/dbraw/zinc/25/27/79/971252779.db2.gz WUIQWADRUKWJSO-ZDUSSCGKSA-N -1 0 338.388 3.515 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)c1cccc(C(F)(F)F)c1 ZINC000326246795 971276805 /nfs/dbraw/zinc/27/68/05/971276805.db2.gz NITPHTSJLFPISZ-CQSZACIVSA-N -1 0 343.345 3.859 20 0 EHADRM O=C([O-])c1ccnc(Oc2ccc(F)c(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000326574895 971305031 /nfs/dbraw/zinc/30/50/31/971305031.db2.gz XQVRYJYYJLBTHQ-UHFFFAOYSA-N -1 0 346.192 3.638 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](c2nc([C@H]3CCc4ccccc4C3)no2)C1 ZINC000326701620 971318488 /nfs/dbraw/zinc/31/84/88/971318488.db2.gz VCZXHASAQSUKNE-HRCADAONSA-N -1 0 326.396 3.701 20 0 EHADRM Cc1ccc(OCCCC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000326993779 971354500 /nfs/dbraw/zinc/35/45/00/971354500.db2.gz UWEPKWJEWSOESN-INIZCTEOSA-N -1 0 347.455 3.503 20 0 EHADRM CCCOC(=O)c1ccc(NC(=O)CC2(CC(=O)[O-])CCCC2)cc1 ZINC000327118651 971368693 /nfs/dbraw/zinc/36/86/93/971368693.db2.gz NWKWPFNZVWZRTN-UHFFFAOYSA-N -1 0 347.411 3.617 20 0 EHADRM Cc1ccccc1OCCCC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000327353930 971390991 /nfs/dbraw/zinc/39/09/91/971390991.db2.gz FYUZCBKSTIODSQ-UHFFFAOYSA-N -1 0 349.333 3.769 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000327628473 971413609 /nfs/dbraw/zinc/41/36/09/971413609.db2.gz VWMYLLYXCFTDNA-KGLIPLIRSA-N -1 0 340.379 3.854 20 0 EHADRM COc1cc(NC(=O)Cc2cccc3ccccc32)ccc1C(=O)[O-] ZINC000327681426 971418485 /nfs/dbraw/zinc/41/84/85/971418485.db2.gz NPEOAHJPDVKNSM-UHFFFAOYSA-N -1 0 335.359 3.728 20 0 EHADRM C[C@@H](c1ccccc1F)N(C)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000327735466 971422798 /nfs/dbraw/zinc/42/27/98/971422798.db2.gz MUTYPUOWTYEIDW-LBPRGKRZSA-N -1 0 346.358 3.514 20 0 EHADRM C/C(=C\c1c(Cl)cccc1Cl)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001602736342 971423116 /nfs/dbraw/zinc/42/31/16/971423116.db2.gz QMAVLJHVOAGUEC-DZZUKKPASA-N -1 0 342.222 3.720 20 0 EHADRM CC(C)COc1cccc(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])c1 ZINC000327819150 971426263 /nfs/dbraw/zinc/42/62/63/971426263.db2.gz MHYPEOAEMNRRMX-SFHVURJKSA-N -1 0 347.455 3.875 20 0 EHADRM Cc1cc(-c2noc([C@H]3CCC[C@@H](C(=O)[O-])C3)n2)nc2ccccc12 ZINC000328005452 971440139 /nfs/dbraw/zinc/44/01/39/971440139.db2.gz KAPUDCSAZLJBJO-QWHCGFSZSA-N -1 0 337.379 3.952 20 0 EHADRM COc1cc(OCc2cccc(C(=O)[O-])c2)ccc1Br ZINC000011863143 948772916 /nfs/dbraw/zinc/77/29/16/948772916.db2.gz HNKMTQKMBSKINP-UHFFFAOYSA-N -1 0 337.169 3.735 20 0 EHADRM Cc1cc(OCC(=O)Nc2c(C)cccc2C(=O)[O-])ccc1Cl ZINC000013432791 948781440 /nfs/dbraw/zinc/78/14/40/948781440.db2.gz GHUFPUAOLVCZCF-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM CC[C@H](NC(=O)Nc1cccnc1C(=O)[O-])c1cc(C)ccc1C ZINC001589565769 948867690 /nfs/dbraw/zinc/86/76/90/948867690.db2.gz IMLGMTMYRIJAQF-AWEZNQCLSA-N -1 0 327.384 3.669 20 0 EHADRM Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000336875613 971515215 /nfs/dbraw/zinc/51/52/15/971515215.db2.gz JLHQREFXRWXUFD-UHFFFAOYSA-N -1 0 342.376 3.591 20 0 EHADRM CCCC[C@H](NC(=O)CCOc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000347268597 971523075 /nfs/dbraw/zinc/52/30/75/971523075.db2.gz YUHAIBAPIUVGFN-LBPRGKRZSA-N -1 0 348.226 3.522 20 0 EHADRM Cc1[nH]c2ccc(C(=O)N(CC(=O)[O-])Cc3ccccc3)cc2c1C ZINC000347354694 971523632 /nfs/dbraw/zinc/52/36/32/971523632.db2.gz AWVJEVMLGBVRJS-UHFFFAOYSA-N -1 0 336.391 3.512 20 0 EHADRM Cc1ccc(C)c(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])c1 ZINC000348282284 971527073 /nfs/dbraw/zinc/52/70/73/971527073.db2.gz VPAXRLALXZDMGC-INIZCTEOSA-N -1 0 325.408 3.667 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(C(F)(F)F)nc1C ZINC000351513168 971528457 /nfs/dbraw/zinc/52/84/57/971528457.db2.gz VEYGBGBTDRETTM-UHFFFAOYSA-N -1 0 338.285 3.668 20 0 EHADRM O=C([O-])c1coc(C(=O)NCC2(Sc3ccccc3)CCCC2)c1 ZINC000352410420 971528674 /nfs/dbraw/zinc/52/86/74/971528674.db2.gz QIADYIMZSYAWRT-UHFFFAOYSA-N -1 0 345.420 3.813 20 0 EHADRM CC[C@H](NC(=O)c1ccc(C(=O)[O-])cc1F)c1ccc(F)cc1F ZINC000358606056 971531348 /nfs/dbraw/zinc/53/13/48/971531348.db2.gz IBSIZXMFOKBYAD-HNNXBMFYSA-N -1 0 337.297 3.683 20 0 EHADRM CC[C@@H](Sc1nnc(-c2ccccc2F)n1CC(C)C)C(=O)[O-] ZINC001589586820 949061083 /nfs/dbraw/zinc/06/10/83/949061083.db2.gz XPLRDSJWFKLMMP-CYBMUJFWSA-N -1 0 337.420 3.696 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)CC[C@H]2CCc3ccccc32)C1 ZINC001589592045 949099488 /nfs/dbraw/zinc/09/94/88/949099488.db2.gz MWSMDFBQXBGJOU-OXQOHEQNSA-N -1 0 329.440 3.600 20 0 EHADRM C[C@H](C(=O)N1CCC[C@H](C)[C@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001602789727 971547861 /nfs/dbraw/zinc/54/78/61/971547861.db2.gz TZVSDBAMQYJADK-MJVIPROJSA-N -1 0 343.345 3.521 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)N[C@H]2CCCc3ccc(C)cc32)C1 ZINC001589598205 949180861 /nfs/dbraw/zinc/18/08/61/949180861.db2.gz PZXZHZAVMQWZNQ-PXNSSMCTSA-N -1 0 344.455 3.659 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc3c(ccc(C)c3C)[nH]2)C1 ZINC001589602767 949201533 /nfs/dbraw/zinc/20/15/33/949201533.db2.gz AWIJQAKYKIOVEN-IBGZPJMESA-N -1 0 328.412 3.502 20 0 EHADRM CC(C)C[C@H](NC(=O)/C=C\c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000103505885 949209139 /nfs/dbraw/zinc/20/91/39/949209139.db2.gz CVSZKDLUVAIKAS-SCOBNMCVSA-N -1 0 330.211 3.622 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC001595221599 949259023 /nfs/dbraw/zinc/25/90/23/949259023.db2.gz ULYOPRKRGPHPKI-LSDHHAIUSA-N -1 0 349.308 3.690 20 0 EHADRM CCC1(CC)CCCN1C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001589612126 949330258 /nfs/dbraw/zinc/33/02/58/949330258.db2.gz GDVFSMYCPAZYTO-CVEARBPZSA-N -1 0 330.428 3.664 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2cc3c(cncc3Cl)s2)cc1 ZINC001595227834 949333143 /nfs/dbraw/zinc/33/31/43/949333143.db2.gz GBTUQXPDOQLUFD-UHFFFAOYSA-N -1 0 346.795 3.578 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2[C@@H]3c4cccc(Cl)c4C[C@H]23)c(F)c1 ZINC001595235690 949394190 /nfs/dbraw/zinc/39/41/90/949394190.db2.gz DASGMLKCTPCEEY-IUIKQTSFSA-N -1 0 345.757 3.702 20 0 EHADRM O=C([O-])[C@H]1CCCCN1C(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC000190552971 949501320 /nfs/dbraw/zinc/50/13/20/949501320.db2.gz LHHLLZBAHWEHPB-QGZVFWFLSA-N -1 0 337.375 3.594 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc3nc(C4CC4)sc3c2)nc1 ZINC000191578457 949511173 /nfs/dbraw/zinc/51/11/73/949511173.db2.gz CXAZTIVOOVMZNH-UHFFFAOYSA-N -1 0 339.376 3.519 20 0 EHADRM CCC[C@]1(C)CCCN(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1 ZINC001589635368 949614012 /nfs/dbraw/zinc/61/40/12/949614012.db2.gz IPBMPWJFJFDTQI-XTDOFWJNSA-N -1 0 338.492 3.734 20 0 EHADRM Cc1ccc(NC(=O)Cc2ccccc2C(=O)[O-])cc1Br ZINC000228049070 949615996 /nfs/dbraw/zinc/61/59/96/949615996.db2.gz IESAVRUKERBEAK-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM O=C([O-])c1ccccc1OCCSc1nc2ncccc2s1 ZINC001595260908 949661586 /nfs/dbraw/zinc/66/15/86/949661586.db2.gz VWMUVEREVDHGND-UHFFFAOYSA-N -1 0 332.406 3.561 20 0 EHADRM O=C([O-])c1cncc(NC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)c1 ZINC001595270367 949819121 /nfs/dbraw/zinc/81/91/21/949819121.db2.gz BFRCCKBNZOYTFG-ZWKOTPCHSA-N -1 0 332.359 3.675 20 0 EHADRM Cc1ccc(NC(=O)c2ccsc2CC(=O)[O-])cc1C(F)(F)F ZINC000379205059 971613573 /nfs/dbraw/zinc/61/35/73/971613573.db2.gz LOMPOVZROJTDKT-UHFFFAOYSA-N -1 0 343.326 3.955 20 0 EHADRM CC(C)[C@@H](NC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000236650367 949929497 /nfs/dbraw/zinc/92/94/97/949929497.db2.gz XWSUTCOKIZPAAR-VUUYWXRKSA-N -1 0 349.736 3.597 20 0 EHADRM Cc1[nH]c2ccc(C(=O)N3CCCC[C@H]3CCC(=O)[O-])cc2c1C ZINC000237726333 949975344 /nfs/dbraw/zinc/97/53/44/949975344.db2.gz PNJFLJHOEUZSFZ-HNNXBMFYSA-N -1 0 328.412 3.644 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)CCSc1ccc(F)cc1 ZINC000237982045 949986818 /nfs/dbraw/zinc/98/68/18/949986818.db2.gz IYHHZPUPZCYCDZ-CQSZACIVSA-N -1 0 339.432 3.554 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2F)C1 ZINC000238005482 949989355 /nfs/dbraw/zinc/98/93/55/949989355.db2.gz KNMPMTYGUDRULQ-SNVBAGLBSA-N -1 0 347.308 3.562 20 0 EHADRM CCCOc1ccc(NC(=O)NCc2ccc(C(=O)[O-])cc2)cc1F ZINC001589681400 950052741 /nfs/dbraw/zinc/05/27/41/950052741.db2.gz NMCXKBPPOPQIAL-UHFFFAOYSA-N -1 0 346.358 3.634 20 0 EHADRM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC000261960301 950053497 /nfs/dbraw/zinc/05/34/97/950053497.db2.gz AOXBIHLYVAVVJR-GGZOMVNGSA-N -1 0 330.211 3.624 20 0 EHADRM COc1cccc(Oc2ccc(NC(=O)[C@H]3CC[C@H]3C(=O)[O-])cc2)c1 ZINC000262118862 950066619 /nfs/dbraw/zinc/06/66/19/950066619.db2.gz NERWBQOMGMTGBD-DLBZAZTESA-N -1 0 341.363 3.537 20 0 EHADRM CC(C)c1ccc(CC2CCN(C(=O)[C@H]3CC[C@H]3C(=O)[O-])CC2)cc1 ZINC000262146766 950073301 /nfs/dbraw/zinc/07/33/01/950073301.db2.gz OZLCIYUZFWGHBR-RBUKOAKNSA-N -1 0 343.467 3.702 20 0 EHADRM CCCSc1cccc(NC(=O)NCc2ccc(C(=O)[O-])cc2)n1 ZINC001589686630 950083393 /nfs/dbraw/zinc/08/33/93/950083393.db2.gz RBKIOZCUIAJQHE-UHFFFAOYSA-N -1 0 345.424 3.604 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC[C@H]3C(=O)[O-])cn2)cc1C ZINC000262285553 950105495 /nfs/dbraw/zinc/10/54/95/950105495.db2.gz ZQKNSSCECJNKHN-HZPDHXFCSA-N -1 0 340.379 3.540 20 0 EHADRM CCCc1ccc(CCCC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1 ZINC001589691493 950117636 /nfs/dbraw/zinc/11/76/36/950117636.db2.gz MKTAVCRAACTLSB-QAPCUYQASA-N -1 0 331.456 3.531 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000262916362 950188905 /nfs/dbraw/zinc/18/89/05/950188905.db2.gz JBRGFHXXCCNLKE-JQWIXIFHSA-N -1 0 341.860 3.635 20 0 EHADRM CCN(C(=O)CCCSc1ccc(Cl)cc1)[C@H](C)C(=O)[O-] ZINC001589700260 950229476 /nfs/dbraw/zinc/22/94/76/950229476.db2.gz XAFITYVUWXFCTD-LLVKDONJSA-N -1 0 329.849 3.534 20 0 EHADRM C[C@H]1CN(C(=O)C(C)(C)CCCc2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000263085674 950255326 /nfs/dbraw/zinc/25/53/26/950255326.db2.gz VCVOCFQJMLXNAC-RDJZCZTQSA-N -1 0 331.456 3.605 20 0 EHADRM CC(C)Oc1c(F)cc(NC(=O)NC(C)(C)CCC(=O)[O-])cc1F ZINC000263121080 950276906 /nfs/dbraw/zinc/27/69/06/950276906.db2.gz WXXJLFXGZZGQNP-UHFFFAOYSA-N -1 0 344.358 3.517 20 0 EHADRM CCN(C(=O)c1cccc(OCc2cccc(C)c2)c1)[C@@H](C)C(=O)[O-] ZINC001589711054 950326066 /nfs/dbraw/zinc/32/60/66/950326066.db2.gz IKJILHFCGJEJKH-HNNXBMFYSA-N -1 0 341.407 3.509 20 0 EHADRM Cc1ccc(C)c(OCCCCC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC000263225242 950334250 /nfs/dbraw/zinc/33/42/50/950334250.db2.gz PXHAOJQUEOOBIQ-DLBZAZTESA-N -1 0 347.455 3.564 20 0 EHADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)c2ccccc2-c2ccccc2)n1 ZINC001602843801 971675772 /nfs/dbraw/zinc/67/57/72/971675772.db2.gz XULLSEZHSRNJEZ-UHFFFAOYSA-N -1 0 349.390 3.622 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1cc(Cc2ccccc2)ccc1O ZINC001602853213 971697849 /nfs/dbraw/zinc/69/78/49/971697849.db2.gz NSOPBHNFNHKVJA-KRWDZBQOSA-N -1 0 341.407 3.668 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)Nc2csnc2-c2ccccc2)C1 ZINC001594990616 951042496 /nfs/dbraw/zinc/04/24/96/951042496.db2.gz NUMCJKKRUCXGTG-LBPRGKRZSA-N -1 0 345.424 3.529 20 0 EHADRM C[C@](NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)(C(=O)[O-])c1ccccc1 ZINC000325289670 951082620 /nfs/dbraw/zinc/08/26/20/951082620.db2.gz WONCLYKFLMYGTH-QCBUCWTNSA-N -1 0 329.440 3.709 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N[C@H]2CCCCC23CCCC3)cc1 ZINC000326822425 951105916 /nfs/dbraw/zinc/10/59/16/951105916.db2.gz YDDHDRUFZFGCLX-INIZCTEOSA-N -1 0 330.428 3.687 20 0 EHADRM CCOCCN(C(=O)c1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001591877507 951233469 /nfs/dbraw/zinc/23/34/69/951233469.db2.gz HTYCRTCHYWWVEF-UHFFFAOYSA-N -1 0 347.798 3.722 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2c[nH]c3cc(Cl)ccc23)C1 ZINC001595015205 951279845 /nfs/dbraw/zinc/27/98/45/951279845.db2.gz NETLGFXCIPSBGV-NSHDSACASA-N -1 0 334.803 3.538 20 0 EHADRM CCOc1c(Cl)cc(NC(=O)N(CC)[C@@H](C)C(=O)[O-])cc1Cl ZINC001592008845 951289901 /nfs/dbraw/zinc/28/99/01/951289901.db2.gz BBAPTUXPDVISTR-QMMMGPOBSA-N -1 0 349.214 3.719 20 0 EHADRM Cc1cc(Br)cc(C)c1NCc1nc(C(=O)[O-])cs1 ZINC000381103693 971739258 /nfs/dbraw/zinc/73/92/58/971739258.db2.gz HLCZPBWODMCDFD-UHFFFAOYSA-N -1 0 341.230 3.833 20 0 EHADRM O=C([O-])CCCC(=O)N1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC001595025448 951346680 /nfs/dbraw/zinc/34/66/80/951346680.db2.gz RESLYHUDURJRFL-AWEZNQCLSA-N -1 0 349.818 3.525 20 0 EHADRM CCC(CC)(CNC(=O)c1cc(Cl)nc(C(C)(C)C)c1)C(=O)[O-] ZINC000391627165 951401363 /nfs/dbraw/zinc/40/13/63/951401363.db2.gz YRIRFJOZNARFTD-UHFFFAOYSA-N -1 0 340.851 3.653 20 0 EHADRM Cc1ccc(OCCC(=O)Nc2c(C)cccc2C(=O)[O-])cc1C ZINC000391759719 951404461 /nfs/dbraw/zinc/40/44/61/951404461.db2.gz AEIQEJCRSAOWMO-UHFFFAOYSA-N -1 0 327.380 3.718 20 0 EHADRM COc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)cc1F ZINC000391775518 951405564 /nfs/dbraw/zinc/40/55/64/951405564.db2.gz TZECLVYYHXETFA-UHFFFAOYSA-N -1 0 349.383 3.725 20 0 EHADRM O=C([O-])CCCCCNC(=O)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC001595036067 951406720 /nfs/dbraw/zinc/40/67/20/951406720.db2.gz UAXVZIUHJNVFTM-GXTWGEPZSA-N -1 0 341.810 3.734 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2OCc2ccccc2)o1 ZINC000381179672 971744084 /nfs/dbraw/zinc/74/40/84/971744084.db2.gz IVAPIBVBSNOTAT-UHFFFAOYSA-N -1 0 337.331 3.809 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2cccc3ccsc32)Cc2ccccc21 ZINC000395278342 951465218 /nfs/dbraw/zinc/46/52/18/951465218.db2.gz RTYFNFDNVWBXOC-INIZCTEOSA-N -1 0 337.400 3.726 20 0 EHADRM O=C([O-])CCNC(=O)N1CC2(CCCCCC2)[C@H]1c1ccccc1 ZINC001595059371 951514266 /nfs/dbraw/zinc/51/42/66/951514266.db2.gz RVJWLDRLGPEVPA-QGZVFWFLSA-N -1 0 330.428 3.568 20 0 EHADRM O=C([O-])CN(C(=O)c1cc2ccccc2cc1OC(F)F)C1CCC1 ZINC001595068363 951580066 /nfs/dbraw/zinc/58/00/66/951580066.db2.gz YWLKWQRUXOEOKC-UHFFFAOYSA-N -1 0 349.333 3.521 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)[C@@H]1CC2CCC1CC2 ZINC000382255324 971805287 /nfs/dbraw/zinc/80/52/87/971805287.db2.gz XNRXGBCPJQKUFS-BBCYWQGDSA-N -1 0 334.391 3.860 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCN2C(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC001602922897 971882322 /nfs/dbraw/zinc/88/23/22/971882322.db2.gz FCFPQHYLBVEBLP-FQEVSTJZSA-N -1 0 327.424 3.684 20 0 EHADRM CC(C)(CCNC(=O)N1CCC(C)(C)[C@H](c2ccccc2)C1)C(=O)[O-] ZINC001602939586 971906018 /nfs/dbraw/zinc/90/60/18/971906018.db2.gz JFTBKCXJLNPVEH-INIZCTEOSA-N -1 0 346.471 3.713 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)NCC(C)(C)c1cccc(Cl)c1F ZINC001602944391 971916866 /nfs/dbraw/zinc/91/68/66/971916866.db2.gz WQKRUMBXMZMIFK-LBPRGKRZSA-N -1 0 343.826 3.620 20 0 EHADRM O=C([O-])C1(CNC(=O)N[C@H]2CCC[C@H](c3ccccc3)CC2)CCC1 ZINC001594742224 953366776 /nfs/dbraw/zinc/36/67/76/953366776.db2.gz UUXUDUUJFAUIJL-IRXDYDNUSA-N -1 0 344.455 3.657 20 0 EHADRM CCSc1cc(CNC(=O)Nc2ccc(C(=O)[O-])c(C)c2)ccn1 ZINC001593597676 953382799 /nfs/dbraw/zinc/38/27/99/953382799.db2.gz PIOTURXXEYXDBH-UHFFFAOYSA-N -1 0 345.424 3.522 20 0 EHADRM CCSc1cccc(F)c1NC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC001593598570 953388795 /nfs/dbraw/zinc/38/87/95/953388795.db2.gz PNYSDWUSLAMKFB-LLVKDONJSA-N -1 0 328.409 3.559 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Cc2cc(Cl)cc3ccccc32)C1 ZINC001589269486 953403043 /nfs/dbraw/zinc/40/30/43/953403043.db2.gz YJCCZWUXNXNHIU-WFASDCNBSA-N -1 0 345.826 3.605 20 0 EHADRM Cc1cc([C@@H](NC(=O)NCCCCCC(=O)[O-])C2CC2)ccc1F ZINC000414637169 953405568 /nfs/dbraw/zinc/40/55/68/953405568.db2.gz FLWJTQUGDOUFCM-KRWDZBQOSA-N -1 0 336.407 3.529 20 0 EHADRM CCC(CC)(CNC(=O)[C@H](C)c1ccc(C(=O)C(C)C)cc1)C(=O)[O-] ZINC000424257431 953440014 /nfs/dbraw/zinc/44/00/14/953440014.db2.gz WWNMMBPZARTGTK-CQSZACIVSA-N -1 0 347.455 3.636 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)CC2 ZINC001589274543 953450943 /nfs/dbraw/zinc/45/09/43/953450943.db2.gz UHEHXBKDGUTRJL-MZMPZRCHSA-N -1 0 344.455 3.550 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1ccc2ccnc(Cl)c2c1)C(=O)[O-] ZINC001593609792 953458023 /nfs/dbraw/zinc/45/80/23/953458023.db2.gz KKJSNUDOCYHRSI-ZANVPECISA-N -1 0 335.791 3.509 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1cc(C(C)(C)C)ccc1OC)C(=O)[O-] ZINC001593610010 953461943 /nfs/dbraw/zinc/46/19/43/953461943.db2.gz SPTRLLRCZQYSLK-NHYWBVRUSA-N -1 0 336.432 3.614 20 0 EHADRM CC[C@@H]1CN(C(=O)NCCC(C)(C)C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000424406243 953472012 /nfs/dbraw/zinc/47/20/12/953472012.db2.gz QJFYYIWHIKUGCH-NVXWUHKLSA-N -1 0 346.471 3.713 20 0 EHADRM CC(C)(CCNC(=O)NCCCCc1ccc(Cl)s1)C(=O)[O-] ZINC000424454145 953489050 /nfs/dbraw/zinc/48/90/50/953489050.db2.gz SOIARJWVERXRAJ-UHFFFAOYSA-N -1 0 346.880 3.524 20 0 EHADRM O=C([O-])c1cccc(C(=O)N[C@H]2CCCOc3cc(Cl)ccc32)c1 ZINC000432121265 953502550 /nfs/dbraw/zinc/50/25/50/953502550.db2.gz FCWOSMNPMQUIFG-HNNXBMFYSA-N -1 0 345.782 3.682 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])cc1 ZINC000486016927 953531212 /nfs/dbraw/zinc/53/12/12/953531212.db2.gz MAJAAAFVGLOUBR-AUUYWEPGSA-N -1 0 337.419 3.563 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N[C@H]2CCc3c2cccc3Cl)cc1 ZINC001594768871 953546922 /nfs/dbraw/zinc/54/69/22/953546922.db2.gz HVOIYRBKQFKMAV-INIZCTEOSA-N -1 0 344.798 3.525 20 0 EHADRM C[C@H](C(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1ccc2ccccc2c1 ZINC000532694916 953564279 /nfs/dbraw/zinc/56/42/79/953564279.db2.gz HNUNLWPKJIKXNO-GJZGRUSLSA-N -1 0 325.408 3.657 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2ccnc(Oc3ccccc3)c2)cc1 ZINC000533189671 953569992 /nfs/dbraw/zinc/56/99/92/953569992.db2.gz MYWYYAFNFIUDTI-UHFFFAOYSA-N -1 0 348.358 3.502 20 0 EHADRM CCc1cc2oc(=O)cc(CS[C@@H](C)C(=O)[O-])c2cc1Cl ZINC001593633470 953592739 /nfs/dbraw/zinc/59/27/39/953592739.db2.gz FOIBUWBVPCWQFB-QMMMGPOBSA-N -1 0 326.801 3.715 20 0 EHADRM CCc1ccc(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1CC ZINC001593635169 953604784 /nfs/dbraw/zinc/60/47/84/953604784.db2.gz BHBDWDMETQNDPJ-LJQANCHMSA-N -1 0 337.419 3.636 20 0 EHADRM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2ccnc(C(=O)[O-])c2)C1 ZINC001589291554 953605200 /nfs/dbraw/zinc/60/52/00/953605200.db2.gz LFUCHLLHCTXARB-BDJLRTHQSA-N -1 0 343.358 3.534 20 0 EHADRM CCc1ccc([C@@H]2CCCN(C(=O)NCCC(C)(C)C(=O)[O-])C2)cc1 ZINC001593637239 953615048 /nfs/dbraw/zinc/61/50/48/953615048.db2.gz OQLLUVQYCQWWQM-QGZVFWFLSA-N -1 0 346.471 3.639 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@H](CC(=O)[O-])C1)c1ccc2c(c1)CCCC2 ZINC000568367116 953644627 /nfs/dbraw/zinc/64/46/27/953644627.db2.gz MARBRSQTTJTDPW-HUUCEWRRSA-N -1 0 344.455 3.523 20 0 EHADRM CCc1cccc2c1N(C(=O)c1coc(/C=C\C(=O)[O-])c1)CCC2 ZINC001593642091 953652891 /nfs/dbraw/zinc/65/28/91/953652891.db2.gz XNXVOLOCXAZGPF-HJWRWDBZSA-N -1 0 325.364 3.533 20 0 EHADRM CCCn1ccc2cc(NC(=O)N3CC[C@H](C)[C@H](C(=O)[O-])C3)ccc21 ZINC000570802788 953658668 /nfs/dbraw/zinc/65/86/68/953658668.db2.gz BDQPEHTYFGZPPZ-XJKSGUPXSA-N -1 0 343.427 3.626 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)/C=C\c1ccc(C(C)(C)C)cc1 ZINC001589298019 953661437 /nfs/dbraw/zinc/66/14/37/953661437.db2.gz DFEPXEYKMGDJDF-JSOJCCHWSA-N -1 0 329.440 3.709 20 0 EHADRM CCCOc1ccc(NC(=O)N([C@@H](C)C(=O)[O-])C2CC2)cc1Cl ZINC000571384660 953661790 /nfs/dbraw/zinc/66/17/90/953661790.db2.gz WACWTZKXPGEWRG-JTQLQIEISA-N -1 0 340.807 3.598 20 0 EHADRM C[C@@H](NC(=O)C1(CC(=O)[O-])CCC1)c1nc(-c2ccccc2)cs1 ZINC000571527634 953662079 /nfs/dbraw/zinc/66/20/79/953662079.db2.gz ZJFGFOLMBGYBEN-GFCCVEGCSA-N -1 0 344.436 3.632 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1csnc1-c1ccccc1 ZINC001589304033 953721353 /nfs/dbraw/zinc/72/13/53/953721353.db2.gz LBEGUYYACYDLNT-DGCLKSJQSA-N -1 0 345.424 3.527 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)N(C)Cc1ccccc1-c1ccccc1 ZINC001602961464 971953050 /nfs/dbraw/zinc/95/30/50/971953050.db2.gz ZAJRNOAPUXSVBC-SFHVURJKSA-N -1 0 325.408 3.669 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000591653801 953742934 /nfs/dbraw/zinc/74/29/34/953742934.db2.gz VMNUOMDGPDOFFG-ABAIWWIYSA-N -1 0 347.436 3.621 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)NC1CCC(C(=O)[O-])CC1 ZINC001589310239 953782661 /nfs/dbraw/zinc/78/26/61/953782661.db2.gz FZSKRJOCXVDFEX-NCSWOWMGSA-N -1 0 338.492 3.637 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1 ZINC001594806853 953789514 /nfs/dbraw/zinc/78/95/14/953789514.db2.gz RQFIIYNMLMUEML-JKSUJKDBSA-N -1 0 329.327 3.667 20 0 EHADRM C[C@@H]1CN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C)CC[C@H]1C(=O)[O-] ZINC000626746315 953800733 /nfs/dbraw/zinc/80/07/33/953800733.db2.gz NQJIZTCMOJEJRJ-BMFZPTHFSA-N -1 0 332.444 3.526 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N[C@H](C(F)F)C1CCCCC1 ZINC001594811000 953820098 /nfs/dbraw/zinc/82/00/98/953820098.db2.gz RBXMAXGWBYPGGR-ZDUSSCGKSA-N -1 0 326.343 3.720 20 0 EHADRM CN(C(=O)c1cccc(C(=O)[O-])c1)[C@H](CCc1ccccc1)C(F)F ZINC000630304388 953852013 /nfs/dbraw/zinc/85/20/13/953852013.db2.gz IAODGTSTHKJDKW-MRXNPFEDSA-N -1 0 347.361 3.723 20 0 EHADRM CCCc1ccc(CCCC(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000647728104 953971370 /nfs/dbraw/zinc/97/13/70/953971370.db2.gz YRYZHICNVROIRR-SFHVURJKSA-N -1 0 331.456 3.675 20 0 EHADRM C[C@@H]1CCN(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)[O-] ZINC001589337171 954003265 /nfs/dbraw/zinc/00/32/65/954003265.db2.gz JXKQFMUTYXNWKE-SFSKKFTQSA-N -1 0 329.440 3.567 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1)C1CC1 ZINC001594837131 954035523 /nfs/dbraw/zinc/03/55/23/954035523.db2.gz GUCLLSRQVNMCQC-OAHLLOKOSA-N -1 0 346.770 3.577 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)cc1 ZINC000653295330 954103043 /nfs/dbraw/zinc/10/30/43/954103043.db2.gz MDSPCYMKWDRXJY-IBGZPJMESA-N -1 0 329.396 3.665 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)[C@H](c2ccccc2)C2CC2)c2ccccc21 ZINC000653327910 954155917 /nfs/dbraw/zinc/15/59/17/954155917.db2.gz BEYBTSXDBLWWFT-GUDVDZBRSA-N -1 0 335.403 3.610 20 0 EHADRM Cc1ccc(CCC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c(C)c1 ZINC000653332906 954163982 /nfs/dbraw/zinc/16/39/82/954163982.db2.gz JUIQZXBCNQWAIJ-RTBURBONSA-N -1 0 337.419 3.665 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653333245 954164169 /nfs/dbraw/zinc/16/41/69/954164169.db2.gz MVPHPQQQPYHHSP-SQNIBIBYSA-N -1 0 345.439 3.544 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000653333242 954164421 /nfs/dbraw/zinc/16/44/21/954164421.db2.gz MVPHPQQQPYHHSP-BZSNNMDCSA-N -1 0 345.439 3.544 20 0 EHADRM Cc1ccccc1C(C)(C)C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653335540 954168802 /nfs/dbraw/zinc/16/88/02/954168802.db2.gz RHZADSSOJOPKFC-SJLPKXTDSA-N -1 0 337.419 3.702 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(Cl)c(F)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653535797 954184224 /nfs/dbraw/zinc/18/42/24/954184224.db2.gz DLDIOEYJNYUMON-DVVUODLYSA-N -1 0 342.798 3.736 20 0 EHADRM CC(C)[C@H](CNC(=O)C(C)(C)c1ccc2ccccc2c1)C(=O)[O-] ZINC000655573543 954210921 /nfs/dbraw/zinc/21/09/21/954210921.db2.gz VAWWWFALWOADEF-KRWDZBQOSA-N -1 0 327.424 3.590 20 0 EHADRM CC(C)[C@@H](CNC(=O)C(C)(C)c1ccc2ccccc2c1)C(=O)[O-] ZINC000655573544 954211243 /nfs/dbraw/zinc/21/12/43/954211243.db2.gz VAWWWFALWOADEF-QGZVFWFLSA-N -1 0 327.424 3.590 20 0 EHADRM CC(C)[C@@H](C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655585366 954227627 /nfs/dbraw/zinc/22/76/27/954227627.db2.gz WRINOMJUFCWGBQ-XLNGHYISSA-N -1 0 331.456 3.678 20 0 EHADRM C[C@@H](NC(=O)N(C)[C@@H](C)C1CCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655904276 954286868 /nfs/dbraw/zinc/28/68/68/954286868.db2.gz SZJAKPCYANMUAL-BFJAYTPKSA-N -1 0 338.492 3.732 20 0 EHADRM C[C@H](Nc1ccnc(Cc2ccccc2)n1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656091718 954293517 /nfs/dbraw/zinc/29/35/17/954293517.db2.gz IBMBXALDEXQSKP-CWRNSKLLSA-N -1 0 339.439 3.615 20 0 EHADRM O=C([O-])C1(C(=O)NCc2cc3c(s2)CCCC3)CCCCCC1 ZINC001594863136 954294313 /nfs/dbraw/zinc/29/43/13/954294313.db2.gz VINZRTQUACDVAM-UHFFFAOYSA-N -1 0 335.469 3.668 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2cccc3c2ccn3C(F)F)CCC1 ZINC000656604320 954303695 /nfs/dbraw/zinc/30/36/95/954303695.db2.gz CBDHDRJKINUJEW-UHFFFAOYSA-N -1 0 337.326 3.555 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)C[C@@]12CCCC[C@@H]1C2(F)F)C(=O)[O-] ZINC000659153053 954311558 /nfs/dbraw/zinc/31/15/58/954311558.db2.gz HDMFYHUINNWZAO-MKBNYLNASA-N -1 0 331.403 3.598 20 0 EHADRM CCCCC[C@H]1CCCCN1C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000659232877 954318440 /nfs/dbraw/zinc/31/84/40/954318440.db2.gz QFSWDJNFHYXOIZ-INIZCTEOSA-N -1 0 333.428 3.725 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2cc(-c3ccccc3)ns2)CC=CCC1 ZINC001594869067 954330747 /nfs/dbraw/zinc/33/07/47/954330747.db2.gz BAQGTTPJYZQIMO-QGZVFWFLSA-N -1 0 328.393 3.560 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cc(F)c(F)c(F)c2F)CCCCCC1 ZINC001594869185 954333008 /nfs/dbraw/zinc/33/30/08/954333008.db2.gz HTEMJUUNJQQPSQ-UHFFFAOYSA-N -1 0 333.281 3.607 20 0 EHADRM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC001593755471 954448974 /nfs/dbraw/zinc/44/89/74/954448974.db2.gz MTHJLHDIALQJCI-LBPRGKRZSA-N -1 0 332.227 3.699 20 0 EHADRM CO[C@](C)(C(=O)[O-])C(=O)Nc1ccc(Oc2cc(C)cc(C)c2)cc1 ZINC000663076202 954452394 /nfs/dbraw/zinc/45/23/94/954452394.db2.gz UXSKMALZJCXQDI-IBGZPJMESA-N -1 0 343.379 3.524 20 0 EHADRM O=C([O-])C1(c2noc([C@H](OC3CCCC3)c3ccccc3)n2)CCC1 ZINC001594887112 954474160 /nfs/dbraw/zinc/47/41/60/954474160.db2.gz KXZQJUVLMDBFHC-OAHLLOKOSA-N -1 0 342.395 3.625 20 0 EHADRM C[C@@H]1CSc2ccccc2N1C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001589408836 954495971 /nfs/dbraw/zinc/49/59/71/954495971.db2.gz OWAFNSDATAKJDX-MXMFLMJRSA-N -1 0 329.377 3.518 20 0 EHADRM C[C@@H]1N(C(=O)/C=C\c2ccc(C(=O)[O-])o2)c2ccccc2C1(C)C ZINC001589413138 954535795 /nfs/dbraw/zinc/53/57/95/954535795.db2.gz QCQPETZJPFTJSR-MMRAYRKESA-N -1 0 325.364 3.704 20 0 EHADRM C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001589418576 954581044 /nfs/dbraw/zinc/58/10/44/954581044.db2.gz WAKQXXIVPQZAOS-XXILOJSOSA-N -1 0 342.222 3.550 20 0 EHADRM CC/C(=C/C(=O)NCc1ccc(C(=O)[O-])cc1)c1ccc(OC)cc1 ZINC001589420508 954598073 /nfs/dbraw/zinc/59/80/73/954598073.db2.gz USGKUZZAOLJEFW-QINSGFPZSA-N -1 0 339.391 3.503 20 0 EHADRM O=C([O-])c1c(NC(=O)c2ccc(F)cc2Cl)sc2c1CCC2 ZINC000386241094 972038827 /nfs/dbraw/zinc/03/88/27/972038827.db2.gz SPTCEGADSDQPEP-UHFFFAOYSA-N -1 0 339.775 3.980 20 0 EHADRM CC[C@@](C)(NC(=O)NCc1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001589450799 954797390 /nfs/dbraw/zinc/79/73/90/954797390.db2.gz IKGLOWGJXVHRJF-LJQANCHMSA-N -1 0 344.386 3.649 20 0 EHADRM O=C([O-])[C@@H]1CCN(C[C@@H](O)c2cc3ccccc3o2)c2ccccc21 ZINC001594933113 954830102 /nfs/dbraw/zinc/83/01/02/954830102.db2.gz BCTGMEGEGBBPRT-NVXWUHKLSA-N -1 0 337.375 3.545 20 0 EHADRM O=C([O-])[C@H]1CCN(Cc2ccc3c(c2)OC(F)(F)O3)c2ccccc21 ZINC001594934278 954847476 /nfs/dbraw/zinc/84/74/76/954847476.db2.gz ZJUKASYAJQDVDF-ZDUSSCGKSA-N -1 0 347.317 3.587 20 0 EHADRM CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC001589462444 954862982 /nfs/dbraw/zinc/86/29/82/954862982.db2.gz FCARPQVPASRFKQ-CZUORRHYSA-N -1 0 335.444 3.535 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)N(CC(=O)[O-])CC(C)(C)C ZINC001589465442 954901442 /nfs/dbraw/zinc/90/14/42/954901442.db2.gz UDLSLLCSQCZMFO-CQSZACIVSA-N -1 0 335.444 3.538 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)Nc2ccc(C(F)F)cc2)C1 ZINC000386458279 972054696 /nfs/dbraw/zinc/05/46/96/972054696.db2.gz RWJAEKSGJDBJHG-NSHDSACASA-N -1 0 326.343 3.733 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)NCCSc1c(C)[nH]c2ccccc21 ZINC001589473782 954940167 /nfs/dbraw/zinc/94/01/67/954940167.db2.gz BITHSIIVAPZXCU-UHFFFAOYSA-N -1 0 348.468 3.576 20 0 EHADRM CCC(CC)(CNC(=O)N1CC[C@H](C(C)(C)C)C[C@H]1C)C(=O)[O-] ZINC001589489221 955005851 /nfs/dbraw/zinc/00/58/51/955005851.db2.gz OIMZILZWZVOOCZ-KGLIPLIRSA-N -1 0 326.481 3.734 20 0 EHADRM CCC(CC)(CNC(=O)N[C@H]1CCc2c1cccc2Cl)C(=O)[O-] ZINC001589494134 955016920 /nfs/dbraw/zinc/01/69/20/955016920.db2.gz ZCQGLAOPWYSNMX-AWEZNQCLSA-N -1 0 338.835 3.518 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)Nc2ccc(-c3ccccc3)cn2)co1 ZINC001594967883 955074868 /nfs/dbraw/zinc/07/48/68/955074868.db2.gz HNHBCUYQLBMZQS-VQHVLOKHSA-N -1 0 334.331 3.692 20 0 EHADRM CC[C@H](CNC(=O)CC(C)(C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001589524853 955100967 /nfs/dbraw/zinc/10/09/67/955100967.db2.gz WBYBIMMBIGRUNC-CYBMUJFWSA-N -1 0 325.836 3.526 20 0 EHADRM CC[C@H](CNC(=O)c1ccc(Oc2ccc(F)cc2F)cc1)C(=O)[O-] ZINC001589546734 955203675 /nfs/dbraw/zinc/20/36/75/955203675.db2.gz RAQSHZNUWGXMNV-LLVKDONJSA-N -1 0 349.333 3.598 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)Nc2cc(F)ccc2Oc2ccccc2)C1 ZINC000739592856 955254708 /nfs/dbraw/zinc/25/47/08/955254708.db2.gz FBMGEKFIXOZBER-GFCCVEGCSA-N -1 0 344.342 3.556 20 0 EHADRM CCc1nc2ccccc2c(C(=O)NCc2ccc(C(=O)[O-])cc2)c1C ZINC000746338430 955262269 /nfs/dbraw/zinc/26/22/69/955262269.db2.gz VHJDMMLJPVMRJK-UHFFFAOYSA-N -1 0 348.402 3.734 20 0 EHADRM C[C@H](NC(=O)CCCC(=O)[O-])[C@@H](C)c1ccccc1C(F)(F)F ZINC000753968614 955262809 /nfs/dbraw/zinc/26/28/09/955262809.db2.gz WOTMHOLWLUJZDJ-MNOVXSKESA-N -1 0 331.334 3.569 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])c1 ZINC001603024337 972082723 /nfs/dbraw/zinc/08/27/23/972082723.db2.gz JEPKEAOQFKFLKP-INIZCTEOSA-N -1 0 336.432 3.732 20 0 EHADRM C/C(=C\C(=O)N([C@H](C)C(=O)[O-])C1CC1)c1ccccc1C(F)(F)F ZINC000776619466 955329365 /nfs/dbraw/zinc/32/93/65/955329365.db2.gz REZNXDSUSGWNAB-PBQZMEPESA-N -1 0 341.329 3.573 20 0 EHADRM COc1ccc2oc(C)c(C(=O)Nc3ccccc3C(=O)[O-])c2c1 ZINC000777884073 955339518 /nfs/dbraw/zinc/33/95/18/955339518.db2.gz IAKWNSXGTVCISO-UHFFFAOYSA-N -1 0 325.320 3.700 20 0 EHADRM Cc1oc(C(C)(C)C)cc1C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001594506303 955361243 /nfs/dbraw/zinc/36/12/43/955361243.db2.gz KEPVGKFKPXFVIA-HNNXBMFYSA-N -1 0 333.359 3.580 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001589007272 955370578 /nfs/dbraw/zinc/37/05/78/955370578.db2.gz MEHOWHICUBBMPA-CYBMUJFWSA-N -1 0 341.411 3.658 20 0 EHADRM CC(C)C[C@H](NC(=O)Nc1ccc2c(c1)C=CC1(CCC1)O2)C(=O)[O-] ZINC001603048002 972111560 /nfs/dbraw/zinc/11/15/60/972111560.db2.gz IOAQHGVVTDENOD-HNNXBMFYSA-N -1 0 344.411 3.636 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)CC=CCC1 ZINC000846708908 955713946 /nfs/dbraw/zinc/71/39/46/955713946.db2.gz LZXVPHCNWUMCEZ-SFHVURJKSA-N -1 0 348.830 3.690 20 0 EHADRM CC(C)Cc1ccc(CCCC(=O)N([C@H](C)C(=O)[O-])C2CC2)cc1 ZINC001603054468 972121046 /nfs/dbraw/zinc/12/10/46/972121046.db2.gz VJNSTKNNOPTJEX-OAHLLOKOSA-N -1 0 331.456 3.672 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)c2c(F)cccc2Cl)cc1F ZINC000387640170 972130075 /nfs/dbraw/zinc/13/00/75/972130075.db2.gz ACUGRYRBDJWPNF-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM C[C@@H](CSc1ccccc1)N(C)C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001589077063 955830438 /nfs/dbraw/zinc/83/04/38/955830438.db2.gz PPZDEKFQXGLMQO-XEHSLEBBSA-N -1 0 345.420 3.630 20 0 EHADRM CC(C)c1ccc(C[C@H](C)NC(=O)NCCC(C)(C)C(=O)[O-])cc1 ZINC001589079885 955845173 /nfs/dbraw/zinc/84/51/73/955845173.db2.gz ZIMQEMWGRWMQAY-AWEZNQCLSA-N -1 0 334.460 3.541 20 0 EHADRM C[C@@H](Cc1ccccc1)n1cccc1C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001589080846 955852747 /nfs/dbraw/zinc/85/27/47/955852747.db2.gz VTBWNWPQZIEOLA-AWEZNQCLSA-N -1 0 349.390 3.637 20 0 EHADRM C[C@H](Cc1cncc2ccccc21)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001589082513 955870879 /nfs/dbraw/zinc/87/08/79/955870879.db2.gz ANWJYGMEUGHZPJ-CQSZACIVSA-N -1 0 348.402 3.679 20 0 EHADRM O=C([O-])CC1(NC(=O)/C=C/c2ccc(F)c3ccccc23)CCC1 ZINC000864119379 955947379 /nfs/dbraw/zinc/94/73/79/955947379.db2.gz BEJAGMODYOUYNA-VQHVLOKHSA-N -1 0 327.355 3.506 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC000864119326 955947447 /nfs/dbraw/zinc/94/74/47/955947447.db2.gz AHNIFIPMPQRGER-JKSUJKDBSA-N -1 0 327.355 3.585 20 0 EHADRM Cc1cc2c(CC(=O)NC[C@@H](CC(C)C)C(=O)[O-])csc2s1 ZINC000864122084 955950348 /nfs/dbraw/zinc/95/03/48/955950348.db2.gz MJRAESMFSYDVMR-LLVKDONJSA-N -1 0 339.482 3.677 20 0 EHADRM O=C(/C=C\c1ccc(C(=O)[O-])o1)N[C@@H](c1ccccc1)C1CCC1 ZINC000864128445 955953658 /nfs/dbraw/zinc/95/36/58/955953658.db2.gz HEBPGYQFSKSVIT-ANGAQGJPSA-N -1 0 325.364 3.649 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000864137313 955960832 /nfs/dbraw/zinc/96/08/32/955960832.db2.gz SOMWPDMUQAMTEL-ZOUVEMKTSA-N -1 0 343.354 3.665 20 0 EHADRM C[C@](NC(=O)CC[C@H]1CCc2ccccc21)(C(=O)[O-])c1ccccc1 ZINC001589094817 955976881 /nfs/dbraw/zinc/97/68/81/955976881.db2.gz AZRUXKRRZMTWCE-IIBYNOLFSA-N -1 0 337.419 3.613 20 0 EHADRM C[C@@H](NC(=O)c1[nH]ccc1-c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589114463 956081889 /nfs/dbraw/zinc/08/18/89/956081889.db2.gz OZYOMKLCAQFUSM-UHOFOFEASA-N -1 0 340.423 3.547 20 0 EHADRM C[C@@H](NC(=O)c1coc(C2CCCCC2)n1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589120196 956111466 /nfs/dbraw/zinc/11/14/66/956111466.db2.gz HIBSEYCDXMJMSL-KWCYVHTRSA-N -1 0 348.443 3.588 20 0 EHADRM O=C([O-])c1cccc(F)c1NC(=O)c1cc(F)c(Cl)cc1F ZINC000388548570 972176267 /nfs/dbraw/zinc/17/62/67/972176267.db2.gz FEZRZHLALHUYCG-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2sc3cccc(F)c3c2Cl)C1 ZINC000901573716 956345802 /nfs/dbraw/zinc/34/58/02/956345802.db2.gz DLOJVMNEYSZVEQ-OAHLLOKOSA-N -1 0 341.791 3.631 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)C1(C(=O)[O-])CCSCC1 ZINC000901634221 956394592 /nfs/dbraw/zinc/39/45/92/956394592.db2.gz DRAVKQDJOBMGHH-LBPRGKRZSA-N -1 0 347.436 3.516 20 0 EHADRM CC(C)c1nc([C@H]2CCCCN2Cc2cccc(C(=O)[O-])c2)no1 ZINC001603107312 972185301 /nfs/dbraw/zinc/18/53/01/972185301.db2.gz ZTWLOHJXDSGDCL-OAHLLOKOSA-N -1 0 329.400 3.618 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)N2CCC(c3ccc(F)cc3)CC2)co1 ZINC000901760621 956456249 /nfs/dbraw/zinc/45/62/49/956456249.db2.gz BCDPOWCITCCTAM-AATRIKPKSA-N -1 0 343.354 3.536 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC000901795525 956470878 /nfs/dbraw/zinc/47/08/78/956470878.db2.gz QGSWOOSZZNCKQZ-RKDXNWHRSA-N -1 0 336.800 3.513 20 0 EHADRM C[C@H](c1ccccc1)N(C(=O)Nc1ccnc(C(=O)[O-])c1)C1CC1 ZINC001589177316 956513247 /nfs/dbraw/zinc/51/32/47/956513247.db2.gz QDOAVQMMGBKWQN-GFCCVEGCSA-N -1 0 325.368 3.537 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN1Cc1oc2ccccc2c1Br ZINC001589187003 956563731 /nfs/dbraw/zinc/56/37/31/956563731.db2.gz MEBVOBDFUZDOIG-OAHLLOKOSA-N -1 0 338.201 3.634 20 0 EHADRM CC(C)(CC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-])CC(F)(F)F ZINC000902099944 956651261 /nfs/dbraw/zinc/65/12/61/956651261.db2.gz WFVSRQNVVSUWHL-AWEZNQCLSA-N -1 0 343.345 3.566 20 0 EHADRM O=C([O-])c1c(-c2ccsc2)csc1NC(=O)C[C@@H]1CCCO1 ZINC001594677583 956671326 /nfs/dbraw/zinc/67/13/26/956671326.db2.gz RHMKDPJEZNMENJ-JTQLQIEISA-N -1 0 337.422 3.682 20 0 EHADRM O=C(C[C@H]1CCC[C@@H](C(F)(F)F)C1)NC1(C(=O)[O-])CCCCC1 ZINC001594677640 956671357 /nfs/dbraw/zinc/67/13/57/956671357.db2.gz SWHFTIJFELOZEA-NWDGAFQWSA-N -1 0 335.366 3.649 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000389042788 972204332 /nfs/dbraw/zinc/20/43/32/972204332.db2.gz ZSTVKMYJFZUVHV-UHFFFAOYSA-N -1 0 339.178 3.835 20 0 EHADRM CC1(C)C[C@@H](c2ccccc2)CN1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001589212298 956701815 /nfs/dbraw/zinc/70/18/15/956701815.db2.gz OOLSLYPAVWVVDY-OAHLLOKOSA-N -1 0 339.395 3.580 20 0 EHADRM CC1(C)CCCc2sc(NC(=O)c3cccc(C(=O)[O-])c3)nc21 ZINC001589226175 956798303 /nfs/dbraw/zinc/79/83/03/956798303.db2.gz BDFDPWQCYCTQGB-UHFFFAOYSA-N -1 0 330.409 3.708 20 0 EHADRM CSc1cc(C(=O)N2C[C@@H](CCC(=O)[O-])Cc3ccccc32)co1 ZINC000902820296 956807957 /nfs/dbraw/zinc/80/79/57/956807957.db2.gz QJIDBUPFZUIBOV-LBPRGKRZSA-N -1 0 345.420 3.685 20 0 EHADRM O=C([O-])C1(NC(=O)Cc2c[nH]c3cccc(Cl)c23)CCCCCC1 ZINC001594705652 956840159 /nfs/dbraw/zinc/84/01/59/956840159.db2.gz YRVDFKIJYKTGPF-UHFFFAOYSA-N -1 0 348.830 3.658 20 0 EHADRM CC[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)C(=O)[O-] ZINC000008732235 956887485 /nfs/dbraw/zinc/88/74/85/956887485.db2.gz SQQIJVTXEBMFQX-ZDUSSCGKSA-N -1 0 333.457 3.735 20 0 EHADRM O=C([O-])c1ccc(OCc2cc(-c3ccccc3)no2)c([N+](=O)[O-])c1 ZINC000013054931 956920663 /nfs/dbraw/zinc/92/06/63/956920663.db2.gz SPMJEITXTCVNDW-UHFFFAOYSA-N -1 0 340.291 3.527 20 0 EHADRM COc1ccc(C(=O)[O-])c(OCc2cccc(C(F)(F)F)c2)c1 ZINC000013084203 956934295 /nfs/dbraw/zinc/93/42/95/956934295.db2.gz FJQRQLJBEVPOSH-UHFFFAOYSA-N -1 0 326.270 3.991 20 0 EHADRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Oc2ccc(C(C)C)cc2)c1C ZINC000013088695 956940560 /nfs/dbraw/zinc/94/05/60/956940560.db2.gz HYDSNIFPPBNNRG-UHFFFAOYSA-N -1 0 348.420 3.893 20 0 EHADRM C[C@]1(Cc2cccs2)CCCN1C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001589247586 956945286 /nfs/dbraw/zinc/94/52/86/956945286.db2.gz OYMBWAZTXLQXGT-DUMMIQTOSA-N -1 0 345.420 3.676 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000013176978 956958136 /nfs/dbraw/zinc/95/81/36/956958136.db2.gz SDUVNIOOSSWNGK-GUYCJALGSA-N -1 0 329.371 3.652 20 0 EHADRM O=C([O-])C1(NC(=O)c2[nH]ccc2-c2ccccc2)CCCCCC1 ZINC001594721654 956975678 /nfs/dbraw/zinc/97/56/78/956975678.db2.gz SWZGVDIPGBCADR-UHFFFAOYSA-N -1 0 326.396 3.589 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1cc(-n2cccc2)ccc1Cl ZINC000907583387 956976963 /nfs/dbraw/zinc/97/69/63/956976963.db2.gz ZWYZJPQEJYQWDT-UHFFFAOYSA-N -1 0 334.803 3.506 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000013257914 956994553 /nfs/dbraw/zinc/99/45/53/956994553.db2.gz IGCATPPBRCQNLA-INIZCTEOSA-N -1 0 349.789 3.744 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)c2cc3occc3s2)c2ccccc21 ZINC001594726145 957003733 /nfs/dbraw/zinc/00/37/33/957003733.db2.gz IOTMHZOCYQMLQC-NEPJUHHUSA-N -1 0 327.361 3.537 20 0 EHADRM C[C@@H](CC(=O)N1CCCC[C@@H]1CC(=O)[O-])c1c[nH]c2ccccc21 ZINC000909497342 957024726 /nfs/dbraw/zinc/02/47/26/957024726.db2.gz LJNXPXKORFJFBO-UONOGXRCSA-N -1 0 328.412 3.517 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1cc(F)c(F)c(F)c1F ZINC000013391019 957046816 /nfs/dbraw/zinc/04/68/16/957046816.db2.gz PYQLGMZDQLENTK-UHFFFAOYSA-N -1 0 327.233 3.502 20 0 EHADRM CCOc1ccc(SCC(=O)Nc2ccc(C(=O)[O-])cc2C)cc1 ZINC000013391366 957047374 /nfs/dbraw/zinc/04/73/74/957047374.db2.gz XZWPWTYBRDRNGK-UHFFFAOYSA-N -1 0 345.420 3.823 20 0 EHADRM O=C([O-])c1ccc(CNc2ccc(C(=O)NC3CCCC3)cc2)s1 ZINC001594732343 957051824 /nfs/dbraw/zinc/05/18/24/957051824.db2.gz LKMXMIBHYAPJFB-UHFFFAOYSA-N -1 0 344.436 3.731 20 0 EHADRM C[C@@H]1C[C@H](C(=O)Nc2scc(-c3ccsc3)c2C(=O)[O-])CO1 ZINC001589265689 957077591 /nfs/dbraw/zinc/07/75/91/957077591.db2.gz JMYJGTIUSQYZLU-SCZZXKLOSA-N -1 0 337.422 3.538 20 0 EHADRM CC(C)COc1ccc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)cc1 ZINC000013448338 957086364 /nfs/dbraw/zinc/08/63/64/957086364.db2.gz DKGZALBERLKFSN-UHFFFAOYSA-N -1 0 339.391 3.623 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)s2)C[C@H]1C(=O)[O-] ZINC001118261151 957165046 /nfs/dbraw/zinc/16/50/46/957165046.db2.gz VBTLPBQZWMOJFK-TZMCWYRMSA-N -1 0 329.421 3.598 20 0 EHADRM O=C([O-])COc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000034287406 957190446 /nfs/dbraw/zinc/19/04/46/957190446.db2.gz GXQNORLREDWASL-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)NC[C@H]2CCCCC2(F)F)c1F ZINC000389815740 972248881 /nfs/dbraw/zinc/24/88/81/972248881.db2.gz LWPINWPVWAIZSM-MRVPVSSYSA-N -1 0 348.296 3.610 20 0 EHADRM O=C([O-])C1(C(=O)NCCc2ccc3ccccc3c2)CCCCC1 ZINC001180438446 957246852 /nfs/dbraw/zinc/24/68/52/957246852.db2.gz HSBQEWFZIDIFQD-UHFFFAOYSA-N -1 0 325.408 3.534 20 0 EHADRM COc1ccc2cc(C(=O)N[C@@](C)(C(=O)[O-])c3ccccc3)ccc2c1 ZINC001254211304 957252454 /nfs/dbraw/zinc/25/24/54/957252454.db2.gz QRGVVQBAGKHNJZ-OAQYLSRUSA-N -1 0 349.386 3.578 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2csc(Br)c2)ccc1F ZINC000037402121 957274026 /nfs/dbraw/zinc/27/40/26/957274026.db2.gz UGMIMNXWSVOCFK-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM Cc1cccc(C(=O)Nc2cc(Br)ccc2C(=O)[O-])c1 ZINC000037742283 957324310 /nfs/dbraw/zinc/32/43/10/957324310.db2.gz ZJHHBVIVAMSFOC-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM O=C([O-])c1ccc(Br)cc1NC(=O)CCc1ccccc1 ZINC000037742302 957324361 /nfs/dbraw/zinc/32/43/61/957324361.db2.gz JZXNAZPLKZBNDP-UHFFFAOYSA-N -1 0 348.196 3.719 20 0 EHADRM Cc1cc(NC(=O)c2cc(Cl)c(Cl)nc2C)ccc1C(=O)[O-] ZINC000389975792 972258940 /nfs/dbraw/zinc/25/89/40/972258940.db2.gz IWOLRYKXXKZTNW-UHFFFAOYSA-N -1 0 339.178 3.956 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NC[C@H]1CCCCC1(F)F ZINC000390101431 972265021 /nfs/dbraw/zinc/26/50/21/972265021.db2.gz YSTMMTIXLYREQK-GFCCVEGCSA-N -1 0 326.343 3.640 20 0 EHADRM Cc1ccc(O[C@@H](C)C(=O)Oc2ccc(Cl)cc2C(=O)[O-])cc1 ZINC000066143465 957640668 /nfs/dbraw/zinc/64/06/68/957640668.db2.gz RHQLMOPZUQXZFQ-NSHDSACASA-N -1 0 334.755 3.720 20 0 EHADRM O=C([O-])c1cnc(Oc2ccc3cc(Br)ccc3c2)cn1 ZINC000071182347 957708414 /nfs/dbraw/zinc/70/84/14/957708414.db2.gz UCHKSFXTAMRNMO-UHFFFAOYSA-N -1 0 345.152 3.883 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1C(=O)Cc1cc(Cl)cc2ccccc21 ZINC001574748120 957712608 /nfs/dbraw/zinc/71/26/08/957712608.db2.gz AVFSZTFSNCXOPM-INIZCTEOSA-N -1 0 331.799 3.501 20 0 EHADRM Cc1cc(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c(C(F)(F)F)o1 ZINC001594277562 957724784 /nfs/dbraw/zinc/72/47/84/957724784.db2.gz ALIVKIYBVSIOQC-SNVBAGLBSA-N -1 0 335.322 3.616 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CC[C@@H](C(F)(F)F)c3ccccc32)C1 ZINC001574761380 957737444 /nfs/dbraw/zinc/73/74/44/957737444.db2.gz RJDNMRJAAWWIDY-DMDPSCGWSA-N -1 0 341.329 3.570 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCSC[C@H]2c2ccccc2)c1 ZINC001594284310 957763825 /nfs/dbraw/zinc/76/38/25/957763825.db2.gz LZQPTKYSRVPCBO-KRWDZBQOSA-N -1 0 341.432 3.624 20 0 EHADRM COc1ccc2oc(CN[C@@](C)(C(=O)[O-])c3ccccc3)cc2c1 ZINC001333120841 957772797 /nfs/dbraw/zinc/77/27/97/957772797.db2.gz GSKXEBKBYAMXLX-LJQANCHMSA-N -1 0 325.364 3.531 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NCCCc2c[nH]c3ccccc23)c1 ZINC001594286091 957780273 /nfs/dbraw/zinc/78/02/73/957780273.db2.gz KTHKUXYXPXIYKA-UHFFFAOYSA-N -1 0 336.391 3.537 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@@H]2CCOc3c(Cl)cccc32)c1 ZINC001594287279 957789976 /nfs/dbraw/zinc/78/99/76/957789976.db2.gz XCJKVRCYNPAKMP-OAHLLOKOSA-N -1 0 345.782 3.600 20 0 EHADRM Cc1cc(Cl)cc(Br)c1OC(=O)CCCC(=O)[O-] ZINC001594307336 957980135 /nfs/dbraw/zinc/98/01/35/957980135.db2.gz LCLNNGYNPWJEFO-UHFFFAOYSA-N -1 0 335.581 3.571 20 0 EHADRM COc1cc(Cl)ccc1NC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC001594060068 958085930 /nfs/dbraw/zinc/08/59/30/958085930.db2.gz BIEBMWKYQYSJMC-GFCCVEGCSA-N -1 0 340.807 3.600 20 0 EHADRM Cc1cc(NC(=O)N[C@]2(C)CCOc3ccccc32)ccc1C(=O)[O-] ZINC001594320739 958129202 /nfs/dbraw/zinc/12/92/02/958129202.db2.gz QYJIDZWCXTUUKW-LJQANCHMSA-N -1 0 340.379 3.513 20 0 EHADRM C[C@H](NC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)c1csc2ccccc21 ZINC001353058635 958139635 /nfs/dbraw/zinc/13/96/35/958139635.db2.gz OHMSWXQRLUEKRA-SGMGOOAPSA-N -1 0 346.452 3.715 20 0 EHADRM Cc1cc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)cnc1Cl ZINC001594323359 958141169 /nfs/dbraw/zinc/14/11/69/958141169.db2.gz HQJBQGHCLPARIZ-UHFFFAOYSA-N -1 0 333.775 3.705 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])ccc1F ZINC001594330678 958214930 /nfs/dbraw/zinc/21/49/30/958214930.db2.gz PIBZJSKTRCNIPM-UKRRQHHQSA-N -1 0 336.407 3.624 20 0 EHADRM Cc1cc2cc(NC(=O)N3CCC[C@H](CCC(=O)[O-])C3)ccc2[nH]1 ZINC001594331104 958219992 /nfs/dbraw/zinc/21/99/92/958219992.db2.gz JOLRWQNGWSIXBN-CYBMUJFWSA-N -1 0 329.400 3.585 20 0 EHADRM C[C@@H](NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1csc2ccccc21 ZINC001521187775 958221518 /nfs/dbraw/zinc/22/15/18/958221518.db2.gz RTYPGYRZAQAYSZ-UPJWGTAASA-N -1 0 346.452 3.715 20 0 EHADRM Cc1cc2ccccc2nc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001594332315 958238390 /nfs/dbraw/zinc/23/83/90/958238390.db2.gz RBNVQTHZOXICEA-AEFFLSMTSA-N -1 0 346.386 3.586 20 0 EHADRM Cc1nc(-c2ccc(C)cc2)sc1C(=O)NCCC(C)(C)C(=O)[O-] ZINC001594335365 958258379 /nfs/dbraw/zinc/25/83/79/958258379.db2.gz PDTCWQVXHRDWOQ-UHFFFAOYSA-N -1 0 346.452 3.658 20 0 EHADRM CN(Cc1ccccc1F)c1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC000391422021 972335208 /nfs/dbraw/zinc/33/52/08/972335208.db2.gz DWOOOSHLTDUYIQ-UHFFFAOYSA-N -1 0 338.722 3.722 20 0 EHADRM Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Cl)cc1C(=O)[O-] ZINC000391465276 972339143 /nfs/dbraw/zinc/33/91/43/972339143.db2.gz CAAVUQXCKGLUBJ-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM CCc1ccc(NC(=O)c2ccc3ncsc3c2)c(C(=O)[O-])c1 ZINC000391506698 972342459 /nfs/dbraw/zinc/34/24/59/972342459.db2.gz CEKLWNBBQIJADQ-UHFFFAOYSA-N -1 0 326.377 3.809 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000391535921 972344561 /nfs/dbraw/zinc/34/45/61/972344561.db2.gz LIMNRXPTBWKPEK-MWLCHTKSSA-N -1 0 347.358 3.624 20 0 EHADRM COc1ccc(N(CC(C)C)C(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC001594101074 958431986 /nfs/dbraw/zinc/43/19/86/958431986.db2.gz CQIBNMCNPTVOTI-UHFFFAOYSA-N -1 0 327.380 3.696 20 0 EHADRM Cc1ccc(CNC(=O)[C@H](C(=O)[O-])C2CCCC2)c(OC(C)(C)C)c1 ZINC001594358936 958433059 /nfs/dbraw/zinc/43/30/59/958433059.db2.gz YAPBJZVZLXESAQ-QGZVFWFLSA-N -1 0 347.455 3.680 20 0 EHADRM Cc1ccc(CN(Cc2ccco2)C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)s1 ZINC001594360211 958442649 /nfs/dbraw/zinc/44/26/49/958442649.db2.gz QAMZBVPPDGPTNB-UONOGXRCSA-N -1 0 347.436 3.679 20 0 EHADRM Cc1oc(CNC(=O)c2cc3c(s2)CCCCCC3)cc1C(=O)[O-] ZINC000391636582 972352288 /nfs/dbraw/zinc/35/22/88/972352288.db2.gz OHFPMCVUUJYRGX-UHFFFAOYSA-N -1 0 347.436 3.937 20 0 EHADRM C=Cc1ccccc1NC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001588478776 958572749 /nfs/dbraw/zinc/57/27/49/958572749.db2.gz LBZPZZSAKACAFF-DLBZAZTESA-N -1 0 336.391 3.662 20 0 EHADRM Cc1cc(Br)c(NC(=O)CCCCC(=O)[O-])cc1Cl ZINC000127139134 958607041 /nfs/dbraw/zinc/60/70/41/958607041.db2.gz PQTYNAXMYICRBN-UHFFFAOYSA-N -1 0 348.624 3.994 20 0 EHADRM COc1cccc(C)c1NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001594124152 958622659 /nfs/dbraw/zinc/62/26/59/958622659.db2.gz PKPXKIBSLHIDNU-UHFFFAOYSA-N -1 0 328.368 3.665 20 0 EHADRM O=C([O-])c1cc(NC(=O)C2CCCCC2)ccc1Br ZINC000128153114 958638227 /nfs/dbraw/zinc/63/82/27/958638227.db2.gz GLBJSAWOMCOOPB-UHFFFAOYSA-N -1 0 326.190 3.666 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2cc3c(s2)CC[C@H](C)C3)C(=O)[O-])c1 ZINC001594392781 958745426 /nfs/dbraw/zinc/74/54/26/958745426.db2.gz KEFZMNBUMZBTHE-SJCJKPOMSA-N -1 0 343.448 3.737 20 0 EHADRM Cc1ccc(OCCC(=O)Nc2ccc(C)cc2C(=O)[O-])c(C)c1 ZINC000391796613 972375635 /nfs/dbraw/zinc/37/56/35/972375635.db2.gz PJZNITWJTJDUIZ-UHFFFAOYSA-N -1 0 327.380 3.718 20 0 EHADRM Cc1cccc(C2=CCN(C(=O)[C@H](C(=O)[O-])C3CCCC3)CC2)c1 ZINC001594401406 958858051 /nfs/dbraw/zinc/85/80/51/958858051.db2.gz GBHFJLQDZJQGLY-GOSISDBHSA-N -1 0 327.424 3.502 20 0 EHADRM CC(C)(C)OC(=O)c1cccc(NC(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC001573455578 958896332 /nfs/dbraw/zinc/89/63/32/958896332.db2.gz WMVKFLLQKKSLKF-UHFFFAOYSA-N -1 0 341.363 3.592 20 0 EHADRM CC(C)(C)O[C@H](C(=O)NCc1ccccc1C(=O)[O-])c1ccccc1 ZINC001573457667 958909201 /nfs/dbraw/zinc/90/92/01/958909201.db2.gz JAJWENFIOXJYIC-KRWDZBQOSA-N -1 0 341.407 3.557 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)/C=C/c1cccs1 ZINC000138393925 958949652 /nfs/dbraw/zinc/94/96/52/958949652.db2.gz AHBCRSIQNXDALT-SOFGYWHQSA-N -1 0 331.393 3.885 20 0 EHADRM CCCC[C@@H](CCC)NC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000391939882 972393228 /nfs/dbraw/zinc/39/32/28/972393228.db2.gz NKHYYCXILHILID-LSDHHAIUSA-N -1 0 326.481 3.878 20 0 EHADRM C[C@H](C(=O)N1CCC[C@@H](C)[C@@H]1C(=O)[O-])c1ccc2ccccc2c1 ZINC001588548501 959006627 /nfs/dbraw/zinc/00/66/27/959006627.db2.gz PJVJXLMASQMSSZ-QWQRMKEZSA-N -1 0 325.408 3.655 20 0 EHADRM Cc1ccccc1C[C@H](C)C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001594417766 959023344 /nfs/dbraw/zinc/02/33/44/959023344.db2.gz TZURPPDYBQGJRL-ZOCIIQOWSA-N -1 0 337.419 3.603 20 0 EHADRM CC(C)[C@@H](CNC(=O)CSc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001573491452 959027742 /nfs/dbraw/zinc/02/77/42/959027742.db2.gz ISNZATAZOXXUMT-OAHLLOKOSA-N -1 0 337.485 3.549 20 0 EHADRM C[S@@](=O)Cc1cc(NCc2ccc(C(=O)[O-])cc2)ccc1Cl ZINC001594179507 959074098 /nfs/dbraw/zinc/07/40/98/959074098.db2.gz XHTIPCKWBMJBRF-JOCHJYFZSA-N -1 0 337.828 3.529 20 0 EHADRM Cc1ccn2cc(-c3ccc(NC(=O)CCCC(=O)[O-])cc3)nc2c1 ZINC001594421342 959075206 /nfs/dbraw/zinc/07/52/06/959075206.db2.gz DZINBSWYUWNQAU-UHFFFAOYSA-N -1 0 337.379 3.503 20 0 EHADRM CSc1cc(NC(=O)NCc2cccc(C(=O)[O-])c2)ccc1C ZINC001594190237 959167916 /nfs/dbraw/zinc/16/79/16/959167916.db2.gz TUYJIDQSPKMFBA-UHFFFAOYSA-N -1 0 330.409 3.737 20 0 EHADRM CC(C)Cc1ccc(CC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC001573539543 959186488 /nfs/dbraw/zinc/18/64/88/959186488.db2.gz QWALUYFLUHJOJW-OAQYLSRUSA-N -1 0 339.435 3.544 20 0 EHADRM C[C@H](OC(=O)[C@@H](C)C(=O)[O-])c1cccc(OCc2ccccc2)c1 ZINC001588583019 959274597 /nfs/dbraw/zinc/27/45/97/959274597.db2.gz PPJINOJCPMMECJ-KBPBESRZSA-N -1 0 328.364 3.591 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)Nc1ccccc1CCC(F)(F)F)C1CC1 ZINC001588587754 959324362 /nfs/dbraw/zinc/32/43/62/959324362.db2.gz WOTSOMCUIKPNPO-JTQLQIEISA-N -1 0 344.333 3.651 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)Nc1ccccc1CCC(F)(F)F)C1CC1 ZINC001588587757 959324621 /nfs/dbraw/zinc/32/46/21/959324621.db2.gz WOTSOMCUIKPNPO-SNVBAGLBSA-N -1 0 344.333 3.651 20 0 EHADRM Cc1nc(CCN2C[C@@H](CCC(=O)[O-])Cc3ccccc32)cs1 ZINC001594452386 959387922 /nfs/dbraw/zinc/38/79/22/959387922.db2.gz GIMLQWXWKNAPHZ-AWEZNQCLSA-N -1 0 330.453 3.538 20 0 EHADRM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1ccc(C(=O)[O-])nc1 ZINC000178934937 959433578 /nfs/dbraw/zinc/43/35/78/959433578.db2.gz FTNLQXRISKUANG-LLVKDONJSA-N -1 0 347.440 3.501 20 0 EHADRM O=C([O-])c1coc(C(=O)NCC2(c3cccs3)CCCCC2)c1 ZINC000183797370 959449047 /nfs/dbraw/zinc/44/90/47/959449047.db2.gz HKQCIVWEYJPVOE-UHFFFAOYSA-N -1 0 333.409 3.671 20 0 EHADRM C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)c1cc(C(=O)[O-])co1 ZINC000183816583 959452291 /nfs/dbraw/zinc/45/22/91/959452291.db2.gz FGIORQBJMUINJO-MRVPVSSYSA-N -1 0 342.178 3.646 20 0 EHADRM Cc1nc2ccc(NC(=O)c3coc(/C=C/C(=O)[O-])c3)cc2s1 ZINC001594464186 959491798 /nfs/dbraw/zinc/49/17/98/959491798.db2.gz JDJVHPXLWKDSIK-HWKANZROSA-N -1 0 328.349 3.548 20 0 EHADRM Cc1ccc(NC(=O)CC(C)(C)CC(=O)[O-])c(OCC(F)(F)F)c1 ZINC000190622130 959514097 /nfs/dbraw/zinc/51/40/97/959514097.db2.gz CQKWEVRTLDFXSU-UHFFFAOYSA-N -1 0 347.333 3.766 20 0 EHADRM CCCc1c(C(=O)Nc2ccc(C(=O)[O-])cc2)cnn1-c1ccccc1 ZINC000190601156 959514191 /nfs/dbraw/zinc/51/41/91/959514191.db2.gz ZPWQNALPCHGKFL-UHFFFAOYSA-N -1 0 349.390 3.775 20 0 EHADRM Cc1ccc([C@@H]2CSCCN2C(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000190646890 959516015 /nfs/dbraw/zinc/51/60/15/959516015.db2.gz DKRDJZABDASEDP-HNNXBMFYSA-N -1 0 335.469 3.503 20 0 EHADRM C[C@](NC(=O)c1ccc(-c2ccco2)s1)(C(=O)[O-])c1ccccc1 ZINC001573622146 959517056 /nfs/dbraw/zinc/51/70/56/959517056.db2.gz FJBPZBCOWHUESW-GOSISDBHSA-N -1 0 341.388 3.738 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)c1ccc2ccccc2n1)C(=O)[O-] ZINC000190672027 959519117 /nfs/dbraw/zinc/51/91/17/959519117.db2.gz CEVWQLWDEUZRKT-OAHLLOKOSA-N -1 0 348.402 3.598 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1C(=O)[O-] ZINC000190890683 959527501 /nfs/dbraw/zinc/52/75/01/959527501.db2.gz CYOICBXTCNMYDQ-RRFJBIMHSA-N -1 0 333.428 3.851 20 0 EHADRM CC(C)c1cccc(-c2ccc(C(=O)N(C)C[C@H](C)C(=O)[O-])o2)c1 ZINC000190931559 959529813 /nfs/dbraw/zinc/52/98/13/959529813.db2.gz KPDGQKTZJNPHPR-ZDUSSCGKSA-N -1 0 329.396 3.863 20 0 EHADRM Cc1ccccc1N(CCC(=O)[O-])C(=O)[C@@H]1CCCc2ccccc21 ZINC000392272346 972436691 /nfs/dbraw/zinc/43/66/91/972436691.db2.gz VRCXUZOQXLHOLN-GOSISDBHSA-N -1 0 337.419 3.923 20 0 EHADRM Cc1nc(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)c(-c2ccccc2)o1 ZINC000190980951 959532952 /nfs/dbraw/zinc/53/29/52/959532952.db2.gz YJGDERKIJDYXGW-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM CN(C(=O)CCc1cc(Cl)cs1)C1(C(=O)[O-])CCCCC1 ZINC000191283131 959547949 /nfs/dbraw/zinc/54/79/49/959547949.db2.gz AWYQHTXXSLZYPT-UHFFFAOYSA-N -1 0 329.849 3.580 20 0 EHADRM O=C([O-])C1(CNC(=O)c2cnc(-c3ccccc3)s2)CCCCC1 ZINC000191503804 959574255 /nfs/dbraw/zinc/57/42/55/959574255.db2.gz OOKMCLRBTZYWSW-UHFFFAOYSA-N -1 0 344.436 3.575 20 0 EHADRM O=C([O-])c1coc(C(=O)Nc2ccc(COc3ccccc3)cc2)c1 ZINC000191589144 959585690 /nfs/dbraw/zinc/58/56/90/959585690.db2.gz QILULVGUDZUJHB-UHFFFAOYSA-N -1 0 337.331 3.809 20 0 EHADRM Cc1[nH]c2ccc(C(=O)N[C@H](C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)cc2c1C ZINC001594250457 959607295 /nfs/dbraw/zinc/60/72/95/959607295.db2.gz YDYIAGWWPXDONH-UHOFOFEASA-N -1 0 342.439 3.650 20 0 EHADRM CC[C@@H](CC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1)c1ccc(C)cc1 ZINC000193018845 959607552 /nfs/dbraw/zinc/60/75/52/959607552.db2.gz SIPKGQFSYNQBQS-AWEZNQCLSA-N -1 0 343.427 3.534 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001588633287 959628040 /nfs/dbraw/zinc/62/80/40/959628040.db2.gz HARBCEKRWXMYJE-ZWKOPEQDSA-N -1 0 344.238 3.712 20 0 EHADRM Cc1c2cccc(Cl)c2[nH]c1C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC001594256856 959657168 /nfs/dbraw/zinc/65/71/68/959657168.db2.gz RDTZMPGXZRGINA-HNNXBMFYSA-N -1 0 342.782 3.685 20 0 EHADRM CC(C)(C)C1=CCN(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)CC1 ZINC001588639403 959676489 /nfs/dbraw/zinc/67/64/89/959676489.db2.gz OFKOVUOALMQVLG-IAGOWNOFSA-N -1 0 342.439 3.687 20 0 EHADRM Cc1c2ccccc2oc1CNC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC001594261443 959695474 /nfs/dbraw/zinc/69/54/74/959695474.db2.gz BQASPQSKDVAMIP-CQSZACIVSA-N -1 0 344.411 3.670 20 0 EHADRM CC(C)(C)[C@H]1CCc2sc(C(=O)Nc3c[nH]nc3C(=O)[O-])cc2C1 ZINC001588644018 959720567 /nfs/dbraw/zinc/72/05/67/959720567.db2.gz XGEZOBYAQOGIDY-JTQLQIEISA-N -1 0 347.440 3.573 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)C[C@@H](c1ccc(O)cc1)C1CC1)C(=O)[O-] ZINC001588646810 959742470 /nfs/dbraw/zinc/74/24/70/959742470.db2.gz ZICGRJHIMXNAQZ-IAGOWNOFSA-N -1 0 347.455 3.672 20 0 EHADRM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001594266761 959746257 /nfs/dbraw/zinc/74/62/57/959746257.db2.gz NJRAUGCXYUEQRY-FVQBIDKESA-N -1 0 346.471 3.634 20 0 EHADRM Cc1c(NC(=O)Nc2cccc(C(=O)[O-])c2)cnn1C1CCCC1 ZINC001594267252 959749265 /nfs/dbraw/zinc/74/92/65/959749265.db2.gz SPMQRQOGGRVUQU-UHFFFAOYSA-N -1 0 328.372 3.649 20 0 EHADRM Cc1ccc(NC(=O)c2nc(Cl)ccc2Cl)c(C(=O)[O-])c1 ZINC000223855450 959843991 /nfs/dbraw/zinc/84/39/91/959843991.db2.gz HLHLVPMYJWBGFM-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1CCCCS1 ZINC000226889401 959908714 /nfs/dbraw/zinc/90/87/14/959908714.db2.gz ZKBBUULMBCJLRK-VIFPVBQESA-N -1 0 330.793 3.644 20 0 EHADRM COc1cccc(N(CC(C)C)C(=O)c2coc(/C=C/C(=O)[O-])c2)c1 ZINC001574231881 960410125 /nfs/dbraw/zinc/41/01/25/960410125.db2.gz JTKNUTBOLSZJDC-BQYQJAHWSA-N -1 0 343.379 3.689 20 0 EHADRM C[C@H]1CCCN(C(=O)c2cc(C(F)(F)F)ccc2Cl)[C@H]1C(=O)[O-] ZINC001573726898 960416583 /nfs/dbraw/zinc/41/65/83/960416583.db2.gz QGXWSXFVNWYPOR-QPUJVOFHSA-N -1 0 349.736 3.684 20 0 EHADRM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000392618427 972501823 /nfs/dbraw/zinc/50/18/23/972501823.db2.gz ZYVLAQHWFNJXOQ-LBPRGKRZSA-N -1 0 347.798 3.763 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NC[C@@H]1C[C@@H]1C1CCCC1)C(=O)[O-] ZINC001123294550 960448790 /nfs/dbraw/zinc/44/87/90/960448790.db2.gz ACDNEJHDKUBXLB-DUVNUKRYSA-N -1 0 347.480 3.808 20 0 EHADRM C[C@@H]1CSCCCN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001573746268 960495571 /nfs/dbraw/zinc/49/55/71/960495571.db2.gz JKWZAJKVJYWPBD-MRVPVSSYSA-N -1 0 346.811 3.537 20 0 EHADRM Cc1cc(OCc2cccc(C(=O)[O-])n2)cc(C)c1Br ZINC000235865781 960521859 /nfs/dbraw/zinc/52/18/59/960521859.db2.gz DUHXVXDIYNSFGG-UHFFFAOYSA-N -1 0 336.185 3.738 20 0 EHADRM Cc1csc(C(=O)NCC2(CC(=O)[O-])CCCCC2)c1Cl ZINC000235960239 960535297 /nfs/dbraw/zinc/53/52/97/960535297.db2.gz GJIWSTHTXNBCHF-UHFFFAOYSA-N -1 0 329.849 3.865 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)C(=O)CC(C)(C)Cc1ccc(Cl)cc1 ZINC001573757380 960565518 /nfs/dbraw/zinc/56/55/18/960565518.db2.gz AKQJHZRKVUYCSI-CQSZACIVSA-N -1 0 325.836 3.620 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)CCc2c[nH]c3ccccc23)cc1F ZINC000392744123 972518141 /nfs/dbraw/zinc/51/81/41/972518141.db2.gz ZSMPXSGRVHPDCF-UHFFFAOYSA-N -1 0 344.317 3.716 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2csc(C(C)(C)C)n2)cc1 ZINC001253132275 960641576 /nfs/dbraw/zinc/64/15/76/960641576.db2.gz ZTCDVDFJSIAJIE-ZDUSSCGKSA-N -1 0 346.452 3.695 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)c(C)n1CC1CC1 ZINC001253148107 960645262 /nfs/dbraw/zinc/64/52/62/960645262.db2.gz XAUBGGMGWDGFOC-UHFFFAOYSA-N -1 0 326.396 3.774 20 0 EHADRM Cc1ccc(CC2CCN(C(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)CC2)cc1 ZINC001255838726 960657148 /nfs/dbraw/zinc/65/71/48/960657148.db2.gz FENHTBINHRCEBW-RTBURBONSA-N -1 0 343.467 3.667 20 0 EHADRM CC[C@H](C)Oc1cc(C(=O)Nc2c(C)cccc2C(=O)[O-])ccn1 ZINC001573776577 960691825 /nfs/dbraw/zinc/69/18/25/960691825.db2.gz NXPUPLRPEHDIKL-LBPRGKRZSA-N -1 0 328.368 3.518 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001573777004 960700724 /nfs/dbraw/zinc/70/07/24/960700724.db2.gz VIPVDPMLHRCYLZ-STRFDMGBSA-N -1 0 340.379 3.609 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC000236583625 960711190 /nfs/dbraw/zinc/71/11/90/960711190.db2.gz YNIKASPYYAGTHC-XIRDDKMYSA-N -1 0 345.439 3.722 20 0 EHADRM Cc1cc(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c(C)n1CC1CC1 ZINC001261366938 960726929 /nfs/dbraw/zinc/72/69/29/960726929.db2.gz LAUQIHJRSBCBTK-ZDUSSCGKSA-N -1 0 340.423 3.955 20 0 EHADRM CC(C)c1ccc(NC(=O)c2cc(C(=O)[O-])nn2-c2ccccc2)cc1 ZINC000236739280 960746102 /nfs/dbraw/zinc/74/61/02/960746102.db2.gz PKPLUYWKWMOROL-UHFFFAOYSA-N -1 0 349.390 3.946 20 0 EHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)CCC(F)(F)F)cc1 ZINC000236747072 960748435 /nfs/dbraw/zinc/74/84/35/960748435.db2.gz BMBKWLUPKSORTB-CYBMUJFWSA-N -1 0 345.361 3.959 20 0 EHADRM C[C@@H](CC(=O)N(C)C(C)(C)CC(=O)[O-])c1ccccc1C(F)(F)F ZINC001261762990 960759367 /nfs/dbraw/zinc/75/93/67/960759367.db2.gz NLYZWMDFPLZJRE-NSHDSACASA-N -1 0 345.361 3.911 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C1 ZINC000263189543 1125474367 /nfs/dbraw/zinc/47/43/67/1125474367.db2.gz VKVPEMFMGRQCLT-JGVFFNPUSA-N -1 0 349.189 3.707 20 0 EHADRM CCCC[C@@H](NC(=O)CSc1ccc2ccccc2c1)C(=O)[O-] ZINC000236847774 960775128 /nfs/dbraw/zinc/77/51/28/960775128.db2.gz IJIWBAKAMYXTNA-MRXNPFEDSA-N -1 0 331.437 3.692 20 0 EHADRM CC[C@@H](C)[C@H](C(=O)Nc1nc(CC(=O)[O-])cs1)c1ccccc1 ZINC000236874407 960786455 /nfs/dbraw/zinc/78/64/55/960786455.db2.gz LYUZNSCDBOBZMH-ABAIWWIYSA-N -1 0 332.425 3.539 20 0 EHADRM Cc1ccc(CNC(=O)c2cc(C)cc(C(=O)[O-])c2)c(OC(C)C)c1 ZINC001574317933 960796685 /nfs/dbraw/zinc/79/66/85/960796685.db2.gz BZFDUXFAQKBHAT-UHFFFAOYSA-N -1 0 341.407 3.719 20 0 EHADRM CCC[C@@](C)(NC(=O)CCCCOc1cc(C)ccc1C)C(=O)[O-] ZINC000236946225 960806869 /nfs/dbraw/zinc/80/68/69/960806869.db2.gz LDTPCUUMCZRINZ-LJQANCHMSA-N -1 0 335.444 3.612 20 0 EHADRM CCC[C@@](C)(NC(=O)c1ccc(OC)c(-c2ccccc2)c1)C(=O)[O-] ZINC000236978593 960820530 /nfs/dbraw/zinc/82/05/30/960820530.db2.gz FGWLDPMGMNKEKF-HXUWFJFHSA-N -1 0 341.407 3.735 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000263184710 1125474582 /nfs/dbraw/zinc/47/45/82/1125474582.db2.gz URRUTFUHBYSKCQ-ZBFHGGJFSA-N -1 0 338.407 3.928 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000237014672 960835573 /nfs/dbraw/zinc/83/55/73/960835573.db2.gz XEJUVAACUKTDNT-QFYYESIMSA-N -1 0 346.254 3.932 20 0 EHADRM Cc1cc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)nc2ccccc12 ZINC000237063913 960859523 /nfs/dbraw/zinc/85/95/23/960859523.db2.gz FEXJHUAYQYFTIL-UHFFFAOYSA-N -1 0 334.375 3.514 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000237130717 960874833 /nfs/dbraw/zinc/87/48/33/960874833.db2.gz XQPLERCIUCCHPO-LJQANCHMSA-N -1 0 327.380 3.852 20 0 EHADRM C[C@@H](Nc1ccccc1NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001263633000 960893839 /nfs/dbraw/zinc/89/38/39/960893839.db2.gz DDCHMOUKTVPLPI-BMFZPTHFSA-N -1 0 338.407 3.909 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C1(c2cccc(F)c2)CCC1 ZINC000237270194 960900040 /nfs/dbraw/zinc/90/00/40/960900040.db2.gz FOFUECOGJDELSQ-UHFFFAOYSA-N -1 0 341.382 3.604 20 0 EHADRM Cc1cc(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)cc(C(F)(F)F)c1 ZINC001574337776 960911414 /nfs/dbraw/zinc/91/14/14/960911414.db2.gz ITZIYDNLTNNJJA-LLVKDONJSA-N -1 0 344.333 3.732 20 0 EHADRM Cc1cc(NC(=O)N2CCC([C@H]3CCCCO3)CC2)ccc1C(=O)[O-] ZINC001574337825 960912250 /nfs/dbraw/zinc/91/22/50/960912250.db2.gz LIBKLCUVOCIMTB-QGZVFWFLSA-N -1 0 346.427 3.506 20 0 EHADRM COc1cccc(C2(C(=O)NCCCCCCC(=O)[O-])CCCC2)c1 ZINC000237370238 960919897 /nfs/dbraw/zinc/91/98/97/960919897.db2.gz FPBSFMYBUFZMOB-UHFFFAOYSA-N -1 0 347.455 3.658 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000237407012 960929804 /nfs/dbraw/zinc/92/98/04/960929804.db2.gz QFHUAVIYOZGCQO-GFCCVEGCSA-N -1 0 349.789 3.842 20 0 EHADRM Cc1ccc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])c(C)c1 ZINC000237406354 960929880 /nfs/dbraw/zinc/92/98/80/960929880.db2.gz RRDJHANUKHPYRQ-MRXNPFEDSA-N -1 0 325.408 3.667 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)C[C@H](C)c2ccc(F)cc2)cc1 ZINC001319309318 960935816 /nfs/dbraw/zinc/93/58/16/960935816.db2.gz HVTNRBWOABNBCS-KBXCAEBGSA-N -1 0 343.398 3.960 20 0 EHADRM Cc1cc(OC(=O)c2ccc(OCC(=O)[O-])cc2)cc(C)c1Cl ZINC001574343292 960950788 /nfs/dbraw/zinc/95/07/88/960950788.db2.gz NURRGWYZFCRNND-UHFFFAOYSA-N -1 0 334.755 3.639 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CCc2ccc(F)cc21)C(=O)[O-] ZINC000237550702 960958890 /nfs/dbraw/zinc/95/88/90/960958890.db2.gz VSZPASWYLBYEIW-NSHDSACASA-N -1 0 345.395 3.594 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N[C@H]1CCCc2occc21)C(=O)[O-] ZINC000237562469 960962072 /nfs/dbraw/zinc/96/20/72/960962072.db2.gz AKRIORGXFCCJST-FZMZJTMJSA-N -1 0 345.420 3.652 20 0 EHADRM C[C@H](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])C1CCCCC1 ZINC000237581745 960966870 /nfs/dbraw/zinc/96/68/70/960966870.db2.gz XVUMKYIQXVUQAJ-KDOFPFPSSA-N -1 0 329.440 3.631 20 0 EHADRM Cc1cc(O[C@@H](C)C(=O)NCCCCCCC(=O)[O-])ccc1Cl ZINC000237612604 960974130 /nfs/dbraw/zinc/97/41/30/960974130.db2.gz NTESXSZPWGREEV-ZDUSSCGKSA-N -1 0 341.835 3.567 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000237621908 960977324 /nfs/dbraw/zinc/97/73/24/960977324.db2.gz ZWTUUSBLFZHFTM-LLVKDONJSA-N -1 0 333.384 3.784 20 0 EHADRM CCCCC[C@H](NC(=O)c1[nH]c2ccc(C)cc2c1Cl)C(=O)[O-] ZINC001320663479 960981956 /nfs/dbraw/zinc/98/19/56/960981956.db2.gz JLUSQJTURMVUBA-ZDUSSCGKSA-N -1 0 336.819 3.893 20 0 EHADRM Cc1ccc(-c2ncccc2NC(=O)NC2(C(=O)[O-])CCCC2)s1 ZINC001574350243 960983713 /nfs/dbraw/zinc/98/37/13/960983713.db2.gz KAILYJRHVCXRLE-UHFFFAOYSA-N -1 0 345.424 3.637 20 0 EHADRM Cc1ccc(C)c(OCCC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000237652681 960985796 /nfs/dbraw/zinc/98/57/96/960985796.db2.gz HCCAGJIPGUNFSX-UHFFFAOYSA-N -1 0 327.380 3.718 20 0 EHADRM Cc1ccc(CCC(=O)Nc2ccc(OCCC(=O)[O-])cc2)c(C)c1 ZINC000237688534 960998134 /nfs/dbraw/zinc/99/81/34/960998134.db2.gz VZQCLIPWYXDILR-UHFFFAOYSA-N -1 0 341.407 3.728 20 0 EHADRM Cc1sc(C(=O)N[C@H]2CCC[C@@H]2C(=O)[O-])cc1-c1ccc(F)cc1 ZINC000237701608 961001805 /nfs/dbraw/zinc/00/18/05/961001805.db2.gz NMXKSEQAFUTRLO-ZFWWWQNUSA-N -1 0 347.411 3.846 20 0 EHADRM Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c(C(=O)[O-])c3)on2)cc1 ZINC000237709633 961004275 /nfs/dbraw/zinc/00/42/75/961004275.db2.gz WFTNMFJHVZOVJA-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM Cc1ccc(C(C)(C)CN(C)C(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC001574356863 961004785 /nfs/dbraw/zinc/00/47/85/961004785.db2.gz HAHLZZQFVAFCTL-ZRDIBKRKSA-N -1 0 341.407 3.736 20 0 EHADRM Cc1ccc(OCCC(=O)Nc2ccc(C)c(C(=O)[O-])c2)c(C)c1 ZINC000237710157 961005582 /nfs/dbraw/zinc/00/55/82/961005582.db2.gz RLPQWAXKVHULDU-UHFFFAOYSA-N -1 0 327.380 3.718 20 0 EHADRM Cc1cc(C(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])c(C)n1C1CCCCC1 ZINC000237761969 961018850 /nfs/dbraw/zinc/01/88/50/961018850.db2.gz NEMJFMXAGPKQKA-NVXWUHKLSA-N -1 0 332.444 3.593 20 0 EHADRM Cc1ccc(C2=CCN(C(=O)/C=C/c3ccc(C(=O)[O-])o3)CC2)cc1 ZINC001574360568 961022941 /nfs/dbraw/zinc/02/29/41/961022941.db2.gz DQZXBPPQXLPCTA-VQHVLOKHSA-N -1 0 337.375 3.615 20 0 EHADRM Cc1ccc(C[C@@H](C)N(C)C(=O)NC[C@H](CC(=O)[O-])CC(C)C)cc1 ZINC001574361488 961030138 /nfs/dbraw/zinc/03/01/38/961030138.db2.gz LJMZDLHFLSBEDU-AEFFLSMTSA-N -1 0 348.487 3.704 20 0 EHADRM Cc1cc(C)cc(OCCC(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC000237840984 961032294 /nfs/dbraw/zinc/03/22/94/961032294.db2.gz RYWSPFAMNBGVAM-UHFFFAOYSA-N -1 0 327.380 3.718 20 0 EHADRM Cc1ccc(C2=CCN(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CC2)cc1 ZINC001574362734 961033999 /nfs/dbraw/zinc/03/39/99/961033999.db2.gz WECOCSNILLUXKV-GOSISDBHSA-N -1 0 344.455 3.541 20 0 EHADRM CC(C)(C(=O)N1CCC[C@H]1CC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001324611515 961038087 /nfs/dbraw/zinc/03/80/87/961038087.db2.gz CWWCPAKBLNPJJH-NSHDSACASA-N -1 0 344.238 3.737 20 0 EHADRM Cc1ccc(CN(CC(C)C)C(=O)c2ccc(C(=O)[O-])nc2)c(C)c1 ZINC001574366647 961042114 /nfs/dbraw/zinc/04/21/14/961042114.db2.gz OODIEZGSMAIEMH-UHFFFAOYSA-N -1 0 340.423 3.695 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC2(c3ccc(Cl)cc3)CCC2)s1 ZINC000238004078 961071711 /nfs/dbraw/zinc/07/17/11/961071711.db2.gz IGHPOLLHERAYAG-UHFFFAOYSA-N -1 0 335.812 3.909 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2C[C@@H]3CCCC[C@]32c2ccccc2)o1 ZINC000238014111 961075114 /nfs/dbraw/zinc/07/51/14/961075114.db2.gz NLMKFQSJFGFGNR-LIRRHRJNSA-N -1 0 325.364 3.519 20 0 EHADRM Cc1ccc(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1OC(F)F ZINC001574374192 961078406 /nfs/dbraw/zinc/07/84/06/961078406.db2.gz NLWPTFJJLFONDI-FNORWQNLSA-N -1 0 337.278 3.540 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)o1 ZINC000238025087 961080968 /nfs/dbraw/zinc/08/09/68/961080968.db2.gz UBJRGVMPEHNQPG-UHFFFAOYSA-N -1 0 347.330 3.569 20 0 EHADRM CCCC1CCC(N(C)C(=O)NC[C@H](CC(C)C)C(=O)[O-])CC1 ZINC001573841703 961089019 /nfs/dbraw/zinc/08/90/19/961089019.db2.gz ZPFGSMSQSXNGFY-PCKAHOCUSA-N -1 0 326.481 3.734 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)s1 ZINC000238057558 961089673 /nfs/dbraw/zinc/08/96/73/961089673.db2.gz DTMYDJSYFNEVFM-UHFFFAOYSA-N -1 0 347.726 3.953 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H]1NC(=O)c1cc(-c2ccccc2)ccc1Cl ZINC000238117428 961104458 /nfs/dbraw/zinc/10/44/58/961104458.db2.gz WQCRSCJTZWYIGI-YOEHRIQHSA-N -1 0 343.810 3.990 20 0 EHADRM O=C([O-])c1cccc(C(=O)NCCc2cc(Cl)cc(Cl)c2)c1 ZINC000238128802 961117554 /nfs/dbraw/zinc/11/75/54/961117554.db2.gz NRJBKNCBTBYNDZ-UHFFFAOYSA-N -1 0 338.190 3.664 20 0 EHADRM CCCCOc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001573849290 961123400 /nfs/dbraw/zinc/12/34/00/961123400.db2.gz YHBZRCBIVJNEDF-QGZVFWFLSA-N -1 0 345.370 3.560 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C)CCC2 ZINC001574382734 961123406 /nfs/dbraw/zinc/12/34/06/961123406.db2.gz YYNFZOIYLWTXSJ-HNNXBMFYSA-N -1 0 329.440 3.626 20 0 EHADRM Cc1cccc(-c2cc(NC(=O)[C@H](C)C(=O)[O-])n(-c3ccccc3)n2)c1 ZINC001574384403 961125972 /nfs/dbraw/zinc/12/59/72/961125972.db2.gz MHJHVCVFGBPNSM-AWEZNQCLSA-N -1 0 349.390 3.507 20 0 EHADRM Cc1cccc([C@H](NC(=O)CC(C)(C)CC(F)(F)F)C(=O)[O-])c1 ZINC001574387221 961139053 /nfs/dbraw/zinc/13/90/53/961139053.db2.gz GIUNCRYVUMQLCK-ZDUSSCGKSA-N -1 0 331.334 3.606 20 0 EHADRM CC(C)(C)c1cc(CCC(=O)NCCC(=O)[O-])cc(C(C)(C)C)c1O ZINC001588739152 961144142 /nfs/dbraw/zinc/14/41/42/961144142.db2.gz BJJYQHBKBFAATP-UHFFFAOYSA-N -1 0 349.471 3.511 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1cccs1 ZINC000238174334 961144603 /nfs/dbraw/zinc/14/46/03/961144603.db2.gz NMVGRGFDDJPRKZ-GFCCVEGCSA-N -1 0 348.811 3.829 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000238208980 961161696 /nfs/dbraw/zinc/16/16/96/961161696.db2.gz VMQUFKQIZBBQMD-UHFFFAOYSA-N -1 0 325.320 3.539 20 0 EHADRM CCc1oc2ccccc2c1C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC001327430069 961161839 /nfs/dbraw/zinc/16/18/39/961161839.db2.gz OKGWRWQEIWLBQR-UHFFFAOYSA-N -1 0 329.396 3.855 20 0 EHADRM CC(C)(C)c1ccc(O)c(NC(=O)c2coc(/C=C/C(=O)[O-])c2)c1 ZINC001588741274 961170331 /nfs/dbraw/zinc/17/03/31/961170331.db2.gz YPFGIZJOVKCKOV-FNORWQNLSA-N -1 0 329.352 3.633 20 0 EHADRM CC(C)(C)c1ccc2[nH]c(C(=O)N(CC(=O)[O-])C3CCC3)cc2c1 ZINC001588741973 961174952 /nfs/dbraw/zinc/17/49/52/961174952.db2.gz PEEDWFGJAFDNMP-UHFFFAOYSA-N -1 0 328.412 3.545 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC001327819996 961181715 /nfs/dbraw/zinc/18/17/15/961181715.db2.gz WHZALGGRPCEMFI-YWZLYKJASA-N -1 0 339.391 3.828 20 0 EHADRM CC(C)C[C@H](NC(=O)CCCOc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000243847555 961184031 /nfs/dbraw/zinc/18/40/31/961184031.db2.gz REKJNENFVRADMI-KRWDZBQOSA-N -1 0 349.471 3.759 20 0 EHADRM CN(C(=O)c1cc(Cl)cc(C(F)(F)F)c1)C(C)(C)CC(=O)[O-] ZINC001328914493 961235136 /nfs/dbraw/zinc/23/51/36/961235136.db2.gz XGYASLMVEOUWKN-UHFFFAOYSA-N -1 0 337.725 3.684 20 0 EHADRM Cc1ccoc1CC(=O)Nc1sc2c(c1C(=O)[O-])C[C@H](C)O[C@H]2C ZINC001574410892 961281709 /nfs/dbraw/zinc/28/17/09/961281709.db2.gz CZTHCESUFDEAMH-UWVGGRQHSA-N -1 0 349.408 3.551 20 0 EHADRM CC(C)(Cc1ccccc1Cl)NC(=O)Nc1cccnc1C(=O)[O-] ZINC001588786243 961344337 /nfs/dbraw/zinc/34/43/37/961344337.db2.gz NPQSSGOQJSKNAR-UHFFFAOYSA-N -1 0 347.802 3.576 20 0 EHADRM Cc1nc2ccc(C(=O)NC3(C(=O)[O-])CCCCCC3)cc2s1 ZINC001574426181 961366468 /nfs/dbraw/zinc/36/64/68/961366468.db2.gz DKSRDWSBHQHSKE-UHFFFAOYSA-N -1 0 332.425 3.512 20 0 EHADRM O=C([O-])CCCCC(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000261600149 961382340 /nfs/dbraw/zinc/38/23/40/961382340.db2.gz AYXYHEQMNQQVND-UHFFFAOYSA-N -1 0 345.370 3.879 20 0 EHADRM Cc1oc(CNC(=O)CCSc2ccc(C)c(C)c2)cc1C(=O)[O-] ZINC000261628069 961383897 /nfs/dbraw/zinc/38/38/97/961383897.db2.gz CSRKEGJSKOWGMP-UHFFFAOYSA-N -1 0 347.436 3.702 20 0 EHADRM COc1cc(NC(=O)c2ccccc2C(C)(C)C)ccc1C(=O)[O-] ZINC000261670794 961386048 /nfs/dbraw/zinc/38/60/48/961386048.db2.gz LRQFSMNNHNGULF-UHFFFAOYSA-N -1 0 327.380 3.943 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ccccc1 ZINC000261674519 961388326 /nfs/dbraw/zinc/38/83/26/961388326.db2.gz MBXADKKKSSOLGW-SPUZQDLCSA-N -1 0 329.440 3.578 20 0 EHADRM COc1cc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)ccc1C(=O)[O-] ZINC000261788587 961392398 /nfs/dbraw/zinc/39/23/98/961392398.db2.gz YSAMNSPPBVWSBN-VHSXEESVSA-N -1 0 345.317 3.701 20 0 EHADRM O=C([O-])CC1CC(Nc2ccc(N3CCc4sccc4C3)cc2)C1 ZINC001331943880 961421580 /nfs/dbraw/zinc/42/15/80/961421580.db2.gz QEBJUOISUZUIKY-UHFFFAOYSA-N -1 0 342.464 3.976 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)NCCSCc1cccc2ccccc21 ZINC001588808295 961497106 /nfs/dbraw/zinc/49/71/06/961497106.db2.gz WDIJUSPNGQIEAB-KRWDZBQOSA-N -1 0 345.464 3.546 20 0 EHADRM COc1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1C(=O)[O-] ZINC000262148043 961500030 /nfs/dbraw/zinc/50/00/30/961500030.db2.gz FPYNWKZDCXXLMW-UHFFFAOYSA-N -1 0 339.391 3.844 20 0 EHADRM CCC[C@@H](CCc1ccccc1)NC(=O)Cc1ccccc1C(=O)[O-] ZINC000262166506 961517407 /nfs/dbraw/zinc/51/74/07/961517407.db2.gz KXHPVYPQHTUAQT-SFHVURJKSA-N -1 0 339.435 3.845 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001588812867 961533020 /nfs/dbraw/zinc/53/30/20/961533020.db2.gz QIOJHAKNNPQVIH-PXNSSMCTSA-N -1 0 331.456 3.605 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000262191724 961537691 /nfs/dbraw/zinc/53/76/91/961537691.db2.gz NKYPIESJVUBYDP-BEFAXECRSA-N -1 0 337.419 3.699 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000262198452 961543400 /nfs/dbraw/zinc/54/34/00/961543400.db2.gz OHGQSGBKKRNJIC-QAPCUYQASA-N -1 0 329.440 3.804 20 0 EHADRM C[C@@H]1C[C@@H]1CNC(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000262197656 961543727 /nfs/dbraw/zinc/54/37/27/961543727.db2.gz UFEWCVAUYFLMSP-VXGBXAGGSA-N -1 0 345.420 3.656 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)CCc2ccccc2C(=O)[O-])cc1F ZINC000262249163 961590696 /nfs/dbraw/zinc/59/06/96/961590696.db2.gz ZBLLUOBTYQUADZ-CYBMUJFWSA-N -1 0 329.371 3.642 20 0 EHADRM Cc1oc(CN(C)C(=O)C2(Cc3ccccc3)CCC2)cc1C(=O)[O-] ZINC000262249139 961591187 /nfs/dbraw/zinc/59/11/87/961591187.db2.gz ZBFARDSYNWVNKU-UHFFFAOYSA-N -1 0 341.407 3.658 20 0 EHADRM O=C([O-])c1cccc(CC(=O)Nc2ccc3[nH]c(C4CCC4)nc3c2)c1 ZINC000262262550 961603414 /nfs/dbraw/zinc/60/34/14/961603414.db2.gz XAVRQEXGAYWYFS-UHFFFAOYSA-N -1 0 349.390 3.710 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000262280104 961616042 /nfs/dbraw/zinc/61/60/42/961616042.db2.gz ZKZCXUXSYIHAMT-FQEVSTJZSA-N -1 0 349.430 3.996 20 0 EHADRM CCc1ccc([C@H]2CCCN(C(=O)C3(CC(=O)[O-])CCC3)C2)cc1 ZINC001573954149 961661990 /nfs/dbraw/zinc/66/19/90/961661990.db2.gz JNZRUUVOPJPDQH-KRWDZBQOSA-N -1 0 329.440 3.600 20 0 EHADRM CC(C)[C@H](CNC(=O)Nc1ncc(C2CCCCC2)s1)C(=O)[O-] ZINC001588827172 961679303 /nfs/dbraw/zinc/67/93/03/961679303.db2.gz MXWMVMITTCDJBY-LBPRGKRZSA-N -1 0 339.461 3.669 20 0 EHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC001573960681 961684155 /nfs/dbraw/zinc/68/41/55/961684155.db2.gz LWACOEDMADFCHK-XUVXKRRUSA-N -1 0 349.430 3.563 20 0 EHADRM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC000262383078 961685201 /nfs/dbraw/zinc/68/52/01/961685201.db2.gz LSLLTMYKQCDYJH-BXUZGUMPSA-N -1 0 345.345 3.681 20 0 EHADRM CC(C)[C@H](CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001588829646 961688346 /nfs/dbraw/zinc/68/83/46/961688346.db2.gz MNVDHHJSTJNPOD-LZWOXQAQSA-N -1 0 337.847 3.697 20 0 EHADRM CC(C)[C@@H](c1ccccc1)N(C)C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001588836443 961772336 /nfs/dbraw/zinc/77/23/36/961772336.db2.gz YPCBFTCXJWCDPO-INIZCTEOSA-N -1 0 327.384 3.641 20 0 EHADRM CCc1ccc(OCC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC000262562469 961774720 /nfs/dbraw/zinc/77/47/20/961774720.db2.gz WTTIYGSXWJOWDJ-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM C[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1)c1ccc(F)cc1 ZINC000262594220 961783074 /nfs/dbraw/zinc/78/30/74/961783074.db2.gz IMNFXZAUHGGTRR-PXAZEXFGSA-N -1 0 347.361 3.791 20 0 EHADRM CC[C@H]1CC[C@@H](C)N1C(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000262662504 961797803 /nfs/dbraw/zinc/79/78/03/961797803.db2.gz MEXFYWIVLFUXHY-RNCFNFMXSA-N -1 0 340.217 3.550 20 0 EHADRM O=C(/C=C\c1ccc(C(=O)[O-])o1)NCc1csc2ccccc12 ZINC001574513136 961820807 /nfs/dbraw/zinc/82/08/07/961820807.db2.gz FUEAFVYKLRULSS-VURMDHGXSA-N -1 0 327.361 3.522 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262721789 961827210 /nfs/dbraw/zinc/82/72/10/961827210.db2.gz QDAWWLVPQPJLDL-KZNAEPCWSA-N -1 0 331.456 3.666 20 0 EHADRM CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262724251 961829133 /nfs/dbraw/zinc/82/91/33/961829133.db2.gz RNLVOIZEBSSDIY-BZUAXINKSA-N -1 0 347.455 3.680 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)NCc2ccc(Cl)cc2Cl)o1 ZINC001574514057 961832567 /nfs/dbraw/zinc/83/25/67/961832567.db2.gz SETCIFZRBDUYCD-XQRVVYSFSA-N -1 0 340.162 3.614 20 0 EHADRM C[C@@]1(CCc2ccccc2)CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C1 ZINC000262731716 961834319 /nfs/dbraw/zinc/83/43/19/961834319.db2.gz AZZWMFXCIGZPQE-DBXWQHBBSA-N -1 0 343.467 3.749 20 0 EHADRM Cc1cccc(C2(NC(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)CCCC2)c1 ZINC000262760504 961852848 /nfs/dbraw/zinc/85/28/48/961852848.db2.gz ZRCKIVLMVSUWOA-WKILWMFISA-N -1 0 329.440 3.772 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)CCCc1ccc(Cl)cc1 ZINC001574524605 961870841 /nfs/dbraw/zinc/87/08/41/961870841.db2.gz UTNQCDQQZIDECA-UHFFFAOYSA-N -1 0 331.799 3.677 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)C2(c3ccccc3F)CC2)cc1)C(=O)[O-] ZINC000262831561 961896337 /nfs/dbraw/zinc/89/63/37/961896337.db2.gz RAKODYVMCPFPHY-ZDUSSCGKSA-N -1 0 341.382 3.759 20 0 EHADRM CC(C)C[C@@H](CNC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001588847455 961901060 /nfs/dbraw/zinc/90/10/60/961901060.db2.gz RWNPOBYMPFBTRX-AAEUAGOBSA-N -1 0 345.361 3.672 20 0 EHADRM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccc(C(=O)[O-])s1)[C@@H]2C ZINC000262844529 961911772 /nfs/dbraw/zinc/91/17/72/961911772.db2.gz RPJDPAWXCMPSQT-GHMZBOCLSA-N -1 0 345.420 3.603 20 0 EHADRM CCC1(CC)CCCN(C(=O)c2cccc(OCC(=O)[O-])c2)CC1 ZINC000262853512 961919916 /nfs/dbraw/zinc/91/99/16/961919916.db2.gz DUWOABXOUKXPJQ-UHFFFAOYSA-N -1 0 333.428 3.583 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCC[C@@]1(C)Cc1ccccc1)C(=O)[O-] ZINC001588850680 961925744 /nfs/dbraw/zinc/92/57/44/961925744.db2.gz YXWOJAGDODQKSQ-XLIONFOSSA-N -1 0 346.471 3.540 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000262865778 961935021 /nfs/dbraw/zinc/93/50/21/961935021.db2.gz CIGYMNKZWKTMKH-ZDUSSCGKSA-N -1 0 341.407 3.800 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)CCc1ccccc1F ZINC000262879711 961953642 /nfs/dbraw/zinc/95/36/42/961953642.db2.gz GWYJVMBQQACJRY-LBPRGKRZSA-N -1 0 345.370 3.740 20 0 EHADRM C[C@H]1CN(C(=O)c2cccc(Oc3ccccc3)c2)CC[C@H]1C(=O)[O-] ZINC000262891797 961965968 /nfs/dbraw/zinc/96/59/68/961965968.db2.gz HMNXDHVXVPHAOZ-KBXCAEBGSA-N -1 0 339.391 3.662 20 0 EHADRM O=C([O-])C1(NC(=O)c2ccsc2C(F)(F)F)CCCCCC1 ZINC001574552826 961980891 /nfs/dbraw/zinc/98/08/91/961980891.db2.gz WZIZSMIVYUSTQA-UHFFFAOYSA-N -1 0 335.347 3.674 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)N[C@H](CC(F)F)C(=O)[O-])cc1 ZINC000262907990 961985829 /nfs/dbraw/zinc/98/58/29/961985829.db2.gz FEXAWFNOVRLQFM-SMDDNHRTSA-N -1 0 327.371 3.528 20 0 EHADRM CS[C@@H](C)CC(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000262913020 961992856 /nfs/dbraw/zinc/99/28/56/961992856.db2.gz DTAMVASLKPCZLE-LRDDRELGSA-N -1 0 331.437 3.613 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cccc(-c2ccccn2)c1C ZINC000262923181 962005486 /nfs/dbraw/zinc/00/54/86/962005486.db2.gz IZSQNLJFPDEUMA-UHFFFAOYSA-N -1 0 340.423 3.820 20 0 EHADRM CC(C)CCOc1ccccc1NC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC001588867687 962029793 /nfs/dbraw/zinc/02/97/93/962029793.db2.gz CRYUKMATLWTJHD-LSDHHAIUSA-N -1 0 348.443 3.686 20 0 EHADRM O=C([O-])C1CCC(Nc2ccccc2OC[C@H]2CCCCO2)CC1 ZINC000262947668 962032517 /nfs/dbraw/zinc/03/25/17/962032517.db2.gz AKTGNBAIKXIZEA-UYSNPLJNSA-N -1 0 333.428 3.690 20 0 EHADRM CC(C)CC1(C(=O)N[C@@H](C)c2ccc(OCC(=O)[O-])cc2)CCC1 ZINC000262950609 962037058 /nfs/dbraw/zinc/03/70/58/962037058.db2.gz HGODRIZKJDKLDB-AWEZNQCLSA-N -1 0 333.428 3.544 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCCC[C@H]2c2ccccc2)C1 ZINC001574567216 962041485 /nfs/dbraw/zinc/04/14/85/962041485.db2.gz CYUYOPNFEWMYSV-OWSLCNJRSA-N -1 0 344.455 3.513 20 0 EHADRM Cc1cc(C)c(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c(C)c1 ZINC000262967224 962052945 /nfs/dbraw/zinc/05/29/45/962052945.db2.gz SFQBFEBMJZUECY-ZWKOTPCHSA-N -1 0 337.419 3.552 20 0 EHADRM CC(C)CN(Cc1ccccn1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001588870336 962055394 /nfs/dbraw/zinc/05/53/94/962055394.db2.gz HQTOMDKHWQAYDD-UHFFFAOYSA-N -1 0 345.374 3.609 20 0 EHADRM COc1cc(NC(=O)CCCc2ccc(C)cc2)ccc1C(=O)[O-] ZINC000262979724 962069115 /nfs/dbraw/zinc/06/91/15/962069115.db2.gz PGNWQWMEXWPAML-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM CC[C@@](CNC(=O)c1csc(C)c1C)(C(=O)[O-])c1ccccc1 ZINC000262987894 962080049 /nfs/dbraw/zinc/08/00/49/962080049.db2.gz LNQDBIRCADVKCM-SFHVURJKSA-N -1 0 331.437 3.527 20 0 EHADRM Cc1cc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c(C)n1C1CCCCC1 ZINC000262991498 962083882 /nfs/dbraw/zinc/08/38/82/962083882.db2.gz ODWHGFOVZPYMEO-SUMWQHHRSA-N -1 0 346.471 3.793 20 0 EHADRM CC[C@@H](CC(=O)NCc1cc(C(=O)[O-])c(C)o1)c1ccc(C)cc1 ZINC000263001339 962094965 /nfs/dbraw/zinc/09/49/65/962094965.db2.gz PVRVOLWAMDDRQA-AWEZNQCLSA-N -1 0 329.396 3.795 20 0 EHADRM CC(C)CC[C@@H](NC(=O)c1cc(C(=O)[O-])n[nH]1)c1ccc(Cl)cc1 ZINC001588874570 962105720 /nfs/dbraw/zinc/10/57/20/962105720.db2.gz SDXOKSDERBYCKN-CYBMUJFWSA-N -1 0 349.818 3.669 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC001340794514 962111656 /nfs/dbraw/zinc/11/16/56/962111656.db2.gz BHIDQIMMJWNNJI-RYUDHWBXSA-N -1 0 331.318 3.714 20 0 EHADRM CC(C)COc1ccccc1NC(=O)NCc1ccccc1C(=O)[O-] ZINC001588880288 962138231 /nfs/dbraw/zinc/13/82/31/962138231.db2.gz HZQIGNIWUODLQK-UHFFFAOYSA-N -1 0 342.395 3.741 20 0 EHADRM CC(C)C[C@@H](NC(=O)Nc1ccc(F)cc1C(C)(F)F)C(=O)[O-] ZINC001588884176 962165155 /nfs/dbraw/zinc/16/51/55/962165155.db2.gz CXTQBBJWWCAADM-GFCCVEGCSA-N -1 0 332.322 3.558 20 0 EHADRM Cc1cccc(NC(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c1F ZINC000263043456 962169373 /nfs/dbraw/zinc/16/93/73/962169373.db2.gz MEHZJSVAVCGELL-HNNXBMFYSA-N -1 0 344.386 3.732 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001574607927 962180542 /nfs/dbraw/zinc/18/05/42/962180542.db2.gz XEXBNYQLWDYHCY-CABCVRRESA-N -1 0 339.395 3.628 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@@H](C)SCc1ccccc1)CC(=O)[O-] ZINC001588887320 962182559 /nfs/dbraw/zinc/18/25/59/962182559.db2.gz FRJNTGZZCZFFKJ-ZBFHGGJFSA-N -1 0 337.485 3.562 20 0 EHADRM CC[C@@H](CN(CC)C(=O)c1c(C)coc1CC(=O)[O-])c1ccccc1 ZINC000263052725 962186709 /nfs/dbraw/zinc/18/67/09/962186709.db2.gz WPAUDOHIRWJTED-HNNXBMFYSA-N -1 0 343.423 3.871 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-] ZINC000263054201 962189258 /nfs/dbraw/zinc/18/92/58/962189258.db2.gz WSWYVJKULGKNKB-NUEKZKHPSA-N -1 0 343.448 3.662 20 0 EHADRM CCC(CC)[C@H](C)C(=O)N[C@@](C)(CC(=O)[O-])c1cccc(OC)c1 ZINC000263062089 962201095 /nfs/dbraw/zinc/20/10/95/962201095.db2.gz BHOXMOCQMCQWBH-DJJJIMSYSA-N -1 0 335.444 3.574 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)C1 ZINC000263066551 962206371 /nfs/dbraw/zinc/20/63/71/962206371.db2.gz SOKZXUODWYHNGS-UEXGIBASSA-N -1 0 337.419 3.657 20 0 EHADRM C[C@@H](C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1)C(C)(C)C ZINC000263075832 962217141 /nfs/dbraw/zinc/21/71/41/962217141.db2.gz KJMVFWSJUSXLFD-TUKIKUTGSA-N -1 0 337.847 3.649 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F)C(=O)[O-] ZINC001588899318 962244344 /nfs/dbraw/zinc/24/43/44/962244344.db2.gz KXEWNBAOUAAXDZ-KYOSRNDESA-N -1 0 341.810 3.588 20 0 EHADRM C[C@@H](C(=O)N1CCCC[C@H]1c1ccc(C(=O)[O-])n1C)c1ccsc1 ZINC001345185385 962259514 /nfs/dbraw/zinc/25/95/14/962259514.db2.gz MQXIPOADMSURQJ-DOMZBBRYSA-N -1 0 346.452 3.642 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)[C@]3(C(=O)[O-])CC3(C)C)ccc21 ZINC001588911750 962321651 /nfs/dbraw/zinc/32/16/51/962321651.db2.gz UBOIKXNZIRTSDX-IBGZPJMESA-N -1 0 328.412 3.737 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000263213315 962368737 /nfs/dbraw/zinc/36/87/37/962368737.db2.gz LTJBUBKSXZTCID-MEDUHNTESA-N -1 0 341.860 3.534 20 0 EHADRM CC(C)c1[nH]ccc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC001347546733 962396701 /nfs/dbraw/zinc/39/67/01/962396701.db2.gz GLDUYSGXDNGUAU-AWEZNQCLSA-N -1 0 334.803 3.737 20 0 EHADRM CC(C)c1ccc(C[C@H](C)NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC000263283042 962422746 /nfs/dbraw/zinc/42/27/46/962422746.db2.gz OWOWPCGFTBQUDH-WBAXXEDZSA-N -1 0 331.456 3.748 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000263286593 962424366 /nfs/dbraw/zinc/42/43/66/962424366.db2.gz ZKUJDHDTWJBYMM-IUODEOHRSA-N -1 0 337.375 3.830 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N(Cc2ccoc2)C2CCCCC2)cc1 ZINC000263312425 962453698 /nfs/dbraw/zinc/45/36/98/962453698.db2.gz GVZOWVORNPVJNV-UHFFFAOYSA-N -1 0 341.407 3.882 20 0 EHADRM COc1ccccc1-c1cccc(NC(=O)CCCCC(=O)[O-])c1 ZINC000263314607 962456738 /nfs/dbraw/zinc/45/67/38/962456738.db2.gz PYUVYHSFMUFFPI-UHFFFAOYSA-N -1 0 327.380 3.946 20 0 EHADRM Cc1nc2c(s1)[C@@H](N(C)C(=O)c1cc(C)cc(C(=O)[O-])c1)CCC2 ZINC000263321818 962463650 /nfs/dbraw/zinc/46/36/50/962463650.db2.gz NSUKZWJYJCXNFE-HNNXBMFYSA-N -1 0 344.436 3.608 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000263346072 962499696 /nfs/dbraw/zinc/49/96/96/962499696.db2.gz UAKILOKQZOUVCS-GLQYFDAESA-N -1 0 329.421 3.987 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@H]2SCCc3ccccc32)cc1 ZINC000263356425 962511461 /nfs/dbraw/zinc/51/14/61/962511461.db2.gz XDSMJECRZZMILO-PXAZEXFGSA-N -1 0 341.432 3.844 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)c(Cl)c1 ZINC001588938016 962512213 /nfs/dbraw/zinc/51/22/13/962512213.db2.gz FAXBBOSDEGMUHY-MRXNPFEDSA-N -1 0 325.792 3.567 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)N2CCC[C@H]2c2ccc(F)cc2F)co1 ZINC001574666392 962515723 /nfs/dbraw/zinc/51/57/23/962515723.db2.gz YDJIHMMZZAXNQD-LEXSJLIMSA-N -1 0 347.317 3.633 20 0 EHADRM CC(C)Oc1ccc(NC(=O)c2coc(/C=C/C(=O)[O-])c2)c(F)c1 ZINC001588940724 962529351 /nfs/dbraw/zinc/52/93/51/962529351.db2.gz UNOOTXUNSAIYGV-GQCTYLIASA-N -1 0 333.315 3.556 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)CC[C@H]1CCc2ccccc21 ZINC001574668837 962539591 /nfs/dbraw/zinc/53/95/91/962539591.db2.gz LYGFDBQKUXFSAB-DYESRHJHSA-N -1 0 349.430 3.707 20 0 EHADRM O=C([O-])c1cccc(N[C@H]2CCCc3cn(C4CCCC4)nc32)n1 ZINC000263388924 962549047 /nfs/dbraw/zinc/54/90/47/962549047.db2.gz FQEHSUUGXSAJJB-AWEZNQCLSA-N -1 0 326.400 3.581 20 0 EHADRM O=C([O-])c1cccc(CNc2ccc(C(=O)NC3CCCC3)cc2)c1 ZINC001350612256 962555650 /nfs/dbraw/zinc/55/56/50/962555650.db2.gz KTGCEVOVQSUWOE-UHFFFAOYSA-N -1 0 338.407 3.669 20 0 EHADRM O=C([O-])c1ccnc(C(=O)N2CCCC[C@@H]2c2cccc(Cl)c2)c1 ZINC000263403245 962567274 /nfs/dbraw/zinc/56/72/74/962567274.db2.gz JPRRZEAMKQZPAY-MRXNPFEDSA-N -1 0 344.798 3.801 20 0 EHADRM COC[C@@H](C)Oc1ccc(Cl)cc1NC1CCC(C(=O)[O-])CC1 ZINC000263413675 962580346 /nfs/dbraw/zinc/58/03/46/962580346.db2.gz MIJPKVUXUYAZCR-LKSINWNRSA-N -1 0 341.835 3.809 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000263446398 962631426 /nfs/dbraw/zinc/63/14/26/962631426.db2.gz QZRZHZAPUVTVCW-JSFDKUKPSA-N -1 0 345.439 3.550 20 0 EHADRM CC(C)c1cc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c(O)c(C(C)C)c1 ZINC001588963794 962641174 /nfs/dbraw/zinc/64/11/74/962641174.db2.gz HLAVITAMXBHMMV-MRXNPFEDSA-N -1 0 333.428 3.718 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000263504279 962686877 /nfs/dbraw/zinc/68/68/77/962686877.db2.gz ZQOHUTRKDRHIKW-IBGZPJMESA-N -1 0 345.345 3.711 20 0 EHADRM COCc1cc(NC(=O)[C@H](c2ccccc2)C2CC2)cc(C(=O)[O-])c1 ZINC000263514029 962695986 /nfs/dbraw/zinc/69/59/86/962695986.db2.gz DDXXKHQIZLVOFF-GOSISDBHSA-N -1 0 339.391 3.664 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000263520418 962701345 /nfs/dbraw/zinc/70/13/45/962701345.db2.gz GYIDCBRLYFKTCL-IAGOWNOFSA-N -1 0 341.407 3.652 20 0 EHADRM COc1cccc(CCC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c1F ZINC000263525386 962706454 /nfs/dbraw/zinc/70/64/54/962706454.db2.gz JMSDIECWZOMSRP-UHFFFAOYSA-N -1 0 345.370 3.721 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 ZINC000263543931 962719808 /nfs/dbraw/zinc/71/98/08/962719808.db2.gz SEPDPTJFPPHMSZ-ZDUSSCGKSA-N -1 0 349.324 3.866 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)[C@@H](C)c2c(F)cccc2F)cc1)C(=O)[O-] ZINC000263548658 962724092 /nfs/dbraw/zinc/72/40/92/962724092.db2.gz VJJRGRHSNPMXDZ-RYUDHWBXSA-N -1 0 347.361 3.970 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000263550567 962724121 /nfs/dbraw/zinc/72/41/21/962724121.db2.gz WEDBGUXTDGRRRH-BBRMVZONSA-N -1 0 345.826 3.503 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(CCc2ccc(F)cc2)C2CCCC2)o1 ZINC000263572861 962739551 /nfs/dbraw/zinc/73/95/51/962739551.db2.gz LNSCOWJGMYZDAP-UHFFFAOYSA-N -1 0 345.370 3.744 20 0 EHADRM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC000263581789 962748662 /nfs/dbraw/zinc/74/86/62/962748662.db2.gz XQIBBHXNCVVCCB-MKXGPGLRSA-N -1 0 343.467 3.981 20 0 EHADRM C[C@@H]1CC[C@](NC(=O)c2ccc(C(F)F)o2)(C(=O)[O-])c2ccccc21 ZINC001517447999 962803141 /nfs/dbraw/zinc/80/31/41/962803141.db2.gz NRJRFAMPMYOKON-MLCYQJTMSA-N -1 0 349.333 3.824 20 0 EHADRM COc1cc(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)cc2ccccc21 ZINC001574186782 962841676 /nfs/dbraw/zinc/84/16/76/962841676.db2.gz VHFFAXHOZZYKET-IBGZPJMESA-N -1 0 325.364 3.598 20 0 EHADRM COc1ccc(CCCCCC(=O)Nc2ccnc(C(=O)[O-])c2)cc1 ZINC001574204407 962899932 /nfs/dbraw/zinc/89/99/32/962899932.db2.gz LYGZUCYCMVQLGH-UHFFFAOYSA-N -1 0 342.395 3.530 20 0 EHADRM CC(=O)c1c(C)cc(NC(=O)NCc2ccc(C(=O)[O-])cc2)cc1C ZINC001573355957 963005371 /nfs/dbraw/zinc/00/53/71/963005371.db2.gz IOZVFBRHMQVBFD-UHFFFAOYSA-N -1 0 340.379 3.526 20 0 EHADRM Cc1cc(C)cc(C2CCN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)c1 ZINC001551454059 963024215 /nfs/dbraw/zinc/02/42/15/963024215.db2.gz SZXBMPSEXTYKEH-DLBZAZTESA-N -1 0 329.440 3.510 20 0 EHADRM O=C([O-])c1cccnc1COc1ccc(Br)cc1Cl ZINC000305979394 963169435 /nfs/dbraw/zinc/16/94/35/963169435.db2.gz RBERBSTVJPQAFW-UHFFFAOYSA-N -1 0 342.576 3.775 20 0 EHADRM CC(C)(C)C[C@@H]1CCN(C(=O)Nc2cccc(CCC(=O)[O-])c2)C1 ZINC000307834818 963231492 /nfs/dbraw/zinc/23/14/92/963231492.db2.gz SXRFDNDAHDHYKS-HNNXBMFYSA-N -1 0 332.444 3.994 20 0 EHADRM O=C([O-])c1coc(CNCc2ccccc2OCc2ccccc2)c1 ZINC000311223238 963470092 /nfs/dbraw/zinc/47/00/92/963470092.db2.gz VVIQLJODOXRUIB-UHFFFAOYSA-N -1 0 337.375 3.847 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)/C=C\c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000312365507 963556242 /nfs/dbraw/zinc/55/62/42/963556242.db2.gz CIKRWELYKOJQFJ-WJOPIKKVSA-N -1 0 330.211 3.622 20 0 EHADRM O=C([O-])c1c(NC(=O)Cc2ccccc2Cl)sc2c1CCC2 ZINC000314127058 963714867 /nfs/dbraw/zinc/71/48/67/963714867.db2.gz FPRRUKNPNAPJRK-UHFFFAOYSA-N -1 0 335.812 3.770 20 0 EHADRM Cc1cc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc1C(=O)[O-] ZINC000314136616 963716218 /nfs/dbraw/zinc/71/62/18/963716218.db2.gz SBDXHHCOBOWRAY-UHFFFAOYSA-N -1 0 340.744 3.569 20 0 EHADRM Cc1sc(NC(=O)CSCc2ccccc2)c(C(=O)[O-])c1C ZINC000314269797 963733702 /nfs/dbraw/zinc/73/37/02/963733702.db2.gz UNZAOLAHGNPWMW-UHFFFAOYSA-N -1 0 335.450 3.935 20 0 EHADRM Cc1sc(-c2ccco2)nc1C(=O)Nc1sccc1C(=O)[O-] ZINC000314525469 963764947 /nfs/dbraw/zinc/76/49/47/963764947.db2.gz RJYUCWAPXUBCPO-UHFFFAOYSA-N -1 0 334.378 3.724 20 0 EHADRM C[C@@H](NC(=O)NCCCCCCC(=O)[O-])c1cccc(Cl)c1 ZINC000314945307 963832938 /nfs/dbraw/zinc/83/29/38/963832938.db2.gz KQLVORLQVKFAHJ-GFCCVEGCSA-N -1 0 326.824 3.735 20 0 EHADRM CC[C@H](CNC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[O-] ZINC000316086318 963974602 /nfs/dbraw/zinc/97/46/02/963974602.db2.gz PYANAESTQSSWNY-SSDOTTSWSA-N -1 0 338.713 3.591 20 0 EHADRM O=C([O-])c1ccccc1CCNC(=O)c1cc2sccc2s1 ZINC000316133830 963981453 /nfs/dbraw/zinc/98/14/53/963981453.db2.gz ADFNKGLRVFULAD-UHFFFAOYSA-N -1 0 331.418 3.634 20 0 EHADRM O=C([O-])C1(CNC(=O)/C=C/c2cc(Cl)cc(Cl)c2)CCCC1 ZINC000316550297 964024335 /nfs/dbraw/zinc/02/43/35/964024335.db2.gz CQEPTLMVWICEDB-ONEGZZNKSA-N -1 0 342.222 3.768 20 0 EHADRM Cc1cc(NC(=O)c2cccc(C(=O)[O-])c2)ccc1Br ZINC000035347488 967502489 /nfs/dbraw/zinc/50/24/89/967502489.db2.gz DVMKWTAGWUHHOA-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM Cc1cc(NC(=O)NCCCCCC(=O)[O-])ccc1Br ZINC000040536928 967518633 /nfs/dbraw/zinc/51/86/33/967518633.db2.gz VSMNBSWBJDRTQZ-UHFFFAOYSA-N -1 0 343.221 3.524 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000237192501 967781937 /nfs/dbraw/zinc/78/19/37/967781937.db2.gz OKEOPQGSLDGNIK-WBVHZDCISA-N -1 0 347.455 3.510 20 0 EHADRM Cc1cc(C)cc(OCCC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000237840858 967784340 /nfs/dbraw/zinc/78/43/40/967784340.db2.gz KEKASLOOTILGTQ-UHFFFAOYSA-N -1 0 327.380 3.718 20 0 EHADRM CN(CCC(=O)[O-])C(=O)CCCc1ccc2c(c1)-c1ccccc1C2 ZINC000262867009 967829732 /nfs/dbraw/zinc/82/97/32/967829732.db2.gz IFCUGCNSVIKPGB-UHFFFAOYSA-N -1 0 337.419 3.514 20 0 EHADRM CCc1cc(C)cc(CC)c1NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263066779 967843678 /nfs/dbraw/zinc/84/36/78/967843678.db2.gz GGTYZKZJOYJGOL-CZUORRHYSA-N -1 0 332.444 3.694 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000263154778 967855110 /nfs/dbraw/zinc/85/51/10/967855110.db2.gz OBIVBEXJWLTXRU-GOEBONIOSA-N -1 0 333.428 3.723 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000263222311 967863802 /nfs/dbraw/zinc/86/38/02/967863802.db2.gz PINWFKZSHXUNPM-WOPDTQHZSA-N -1 0 341.860 3.532 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccccc2Oc2ccccc2)C1 ZINC000263307995 967868426 /nfs/dbraw/zinc/86/84/26/967868426.db2.gz HOCKUNOVPFIGBD-HUUCEWRRSA-N -1 0 339.391 3.662 20 0 EHADRM O=C([O-])CCCNC(=O)N[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000263344367 967876676 /nfs/dbraw/zinc/87/66/76/967876676.db2.gz GGSFQAMMUXPDEX-AWEZNQCLSA-N -1 0 345.226 3.609 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)N(C)C[C@@H](C)C(=O)[O-])cc2s1 ZINC000263494022 967897054 /nfs/dbraw/zinc/89/70/54/967897054.db2.gz PZWUQNOATNDHIC-SNVBAGLBSA-N -1 0 335.429 3.604 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN1C(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000263485156 967897135 /nfs/dbraw/zinc/89/71/35/967897135.db2.gz VJCSZEMKJHVBTJ-OAHLLOKOSA-N -1 0 341.194 3.554 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)/C=C/c1cccc(F)c1 ZINC000323884715 968027020 /nfs/dbraw/zinc/02/70/20/968027020.db2.gz LTCRYXQSXVEKON-RMKNXTFCSA-N -1 0 325.339 3.517 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)CC1 ZINC000364193719 968056042 /nfs/dbraw/zinc/05/60/42/968056042.db2.gz FDOQURYBSOQJRT-ZWKOTPCHSA-N -1 0 337.419 3.657 20 0 EHADRM CC(C)[C@@H](NC(=O)N(C)CCCC(=O)[O-])c1ccccc1Cl ZINC000414633359 968340605 /nfs/dbraw/zinc/34/06/05/968340605.db2.gz ULLVMBXESULZJH-OAHLLOKOSA-N -1 0 326.824 3.543 20 0 EHADRM CC(C)c1nc2cc(NC(=O)N3CCC(C)(C(=O)[O-])CC3)ccc2o1 ZINC000647696500 968577827 /nfs/dbraw/zinc/57/78/27/968577827.db2.gz NHGZPLFSPVWMEY-UHFFFAOYSA-N -1 0 345.399 3.670 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655579707 968686230 /nfs/dbraw/zinc/68/62/30/968686230.db2.gz WZAAQXIBACAMIF-UTJXIGIESA-N -1 0 349.446 3.646 20 0 EHADRM C[C@H](NC(=O)N1CCCC12CCCCC2)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655901523 968711672 /nfs/dbraw/zinc/71/16/72/968711672.db2.gz KBUKTYPKOARORR-SOUVJXGZSA-N -1 0 336.476 3.630 20 0 EHADRM Cc1ccc([C@@H](NC(=O)c2cc(C)cc(C(=O)[O-])c2)C(F)(F)F)o1 ZINC000656247100 968717202 /nfs/dbraw/zinc/71/72/02/968717202.db2.gz AYNMNAIOFVCGSW-CYBMUJFWSA-N -1 0 341.285 3.628 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1nc(-c2c(F)cccc2F)cs1 ZINC000656231541 968717466 /nfs/dbraw/zinc/71/74/66/968717466.db2.gz LFOWXXLGLHUHJI-UHFFFAOYSA-N -1 0 340.351 3.672 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc3cc(Cl)ccc3s2)C[C@H]1C(=O)[O-] ZINC000663057345 968776096 /nfs/dbraw/zinc/77/60/96/968776096.db2.gz KVCPFMYVNJEKPK-JOYOIKCWSA-N -1 0 337.828 3.738 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)c1ccc([C@H]2CCCOC2)cc1)C(=O)[O-] ZINC000668289162 968851613 /nfs/dbraw/zinc/85/16/13/968851613.db2.gz QENMPJUXSAINOZ-DLBZAZTESA-N -1 0 347.455 3.590 20 0 EHADRM Cc1nc2c(Cl)cccc2cc1C(=O)NC(C)(C)CCC(=O)[O-] ZINC000901449399 969430793 /nfs/dbraw/zinc/43/07/93/969430793.db2.gz QEAIVUPKNVSTAY-UHFFFAOYSA-N -1 0 334.803 3.570 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2coc(/C=C/C(=O)[O-])c2)C1 ZINC000901600090 969446272 /nfs/dbraw/zinc/44/62/72/969446272.db2.gz VUAADGNJVHLHNN-MHKRFPNSSA-N -1 0 339.391 3.704 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc3c(nc(C)cc3C)s2)C1 ZINC001341856761 969755030 /nfs/dbraw/zinc/75/50/30/969755030.db2.gz FGXSREZYWGYDQI-GOSISDBHSA-N -1 0 346.452 3.630 20 0 EHADRM O=C([O-])c1cccc(NC(=O)[C@@H]2CCN(c3ccccc3Cl)C2)c1 ZINC001595249127 970335795 /nfs/dbraw/zinc/33/57/95/970335795.db2.gz WXUZRBOQHXQPJP-CYBMUJFWSA-N -1 0 344.798 3.503 20 0 EHADRM CCCc1sc(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)cc1CC ZINC000317743453 970384851 /nfs/dbraw/zinc/38/48/51/970384851.db2.gz NKJGWMDQFWNBJJ-AWEZNQCLSA-N -1 0 325.474 3.882 20 0 EHADRM CCCC[C@@H](CCC)NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000318739938 970466407 /nfs/dbraw/zinc/46/64/07/970466407.db2.gz OHRRBUXJPQLUTC-LLVKDONJSA-N -1 0 347.864 3.675 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](c2nc(CSc3ccc(Cl)cc3)no2)C1 ZINC000319358130 970528295 /nfs/dbraw/zinc/52/82/95/970528295.db2.gz VKLSDNKXQHVOHB-VHSXEESVSA-N -1 0 338.816 3.984 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2ccc(SC(F)(F)F)cc2)n1 ZINC000320550861 970677308 /nfs/dbraw/zinc/67/73/08/970677308.db2.gz IILIAFHWKHCFPE-UHFFFAOYSA-N -1 0 342.298 3.644 20 0 EHADRM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000320645456 970690539 /nfs/dbraw/zinc/69/05/39/970690539.db2.gz IVWDLMNGWKSUNR-VIFPVBQESA-N -1 0 337.734 3.583 20 0 EHADRM Cc1ccc(NC(=O)CCOc2cccc(Cl)c2)c(C(=O)[O-])c1 ZINC000320739845 970709349 /nfs/dbraw/zinc/70/93/49/970709349.db2.gz YRJNZHFIJCKHBX-UHFFFAOYSA-N -1 0 333.771 3.754 20 0 EHADRM C[C@H](c1ccc(C(=O)[O-])o1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000320887740 970727023 /nfs/dbraw/zinc/72/70/23/970727023.db2.gz CERWSHCIXMSLQH-GFCCVEGCSA-N -1 0 334.803 3.514 20 0 EHADRM Cc1c(NC(=O)N2CCc3sccc3[C@@H]2C)cccc1C(=O)[O-] ZINC000321174693 970749470 /nfs/dbraw/zinc/74/94/70/970749470.db2.gz YMFKTHMSLCFKFL-NSHDSACASA-N -1 0 330.409 3.906 20 0 EHADRM CSCc1cc(F)ccc1CNC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001604958450 972539022 /nfs/dbraw/zinc/53/90/22/972539022.db2.gz PEEZHNPBTHFTRD-UHFFFAOYSA-N -1 0 347.411 3.625 20 0 EHADRM CSc1ccc(Cl)c(NC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC001604964699 972550909 /nfs/dbraw/zinc/55/09/09/972550909.db2.gz AXFPKPIUBSJVJM-ONGXEEELSA-N -1 0 342.848 3.636 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)Nc1ccc(COc2ccccc2)cc1 ZINC001604157815 972574480 /nfs/dbraw/zinc/57/44/80/972574480.db2.gz YIGIYKCIBZLRMY-UHFFFAOYSA-N -1 0 342.395 3.594 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2cc(Cl)cc(Cl)c2F)CCCC1 ZINC001605845634 972587644 /nfs/dbraw/zinc/58/76/44/972587644.db2.gz WKNNTRKTOLIALT-UHFFFAOYSA-N -1 0 335.162 3.651 20 0 EHADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC001605021197 972628413 /nfs/dbraw/zinc/62/84/13/972628413.db2.gz UANXVUUUESRLJE-CWYPUQQXSA-N -1 0 335.831 3.593 20 0 EHADRM O=C([O-])c1cncc(NC(=O)N[C@@H]2C[C@H]2c2cccc3ccccc32)c1 ZINC001605870726 972636869 /nfs/dbraw/zinc/63/68/69/972636869.db2.gz AKKKMTDZWSIERP-ZWKOTPCHSA-N -1 0 347.374 3.611 20 0 EHADRM O=C([O-])c1c(NC(=O)c2cccc(C3CC3)c2)sc2c1COCC2 ZINC001605878660 972660302 /nfs/dbraw/zinc/66/03/02/972660302.db2.gz IWPLWLSZWLMGQL-UHFFFAOYSA-N -1 0 343.404 3.649 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Oc1ccc(Cl)cc1Br ZINC001603323828 972662429 /nfs/dbraw/zinc/66/24/29/972662429.db2.gz JTZTUGYAXDNRNP-ZDUSSCGKSA-N -1 0 347.592 3.509 20 0 EHADRM O=C([O-])[C@@H](C(=O)N1CC[C@H](c2ccccc2)c2ccccc21)C1CC1 ZINC001605891720 972690358 /nfs/dbraw/zinc/69/03/58/972690358.db2.gz ZJYCQRLBJYUUIK-VQIMIIECSA-N -1 0 335.403 3.666 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC001605077405 972713698 /nfs/dbraw/zinc/71/36/98/972713698.db2.gz VMRWTRZAGMMFEZ-XPTSAGLGSA-N -1 0 335.400 3.674 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NC[C@@]1(C)CCCc2ccccc21 ZINC001603340307 972735222 /nfs/dbraw/zinc/73/52/22/972735222.db2.gz ZQVYPWQWMTZAJO-HXUWFJFHSA-N -1 0 343.467 3.534 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)C1 ZINC000394785222 972757982 /nfs/dbraw/zinc/75/79/82/972757982.db2.gz SZNSZZUBMAXVQD-ZJUUUORDSA-N -1 0 340.217 3.912 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N[C@@H]2CCc3ccccc3C2)cc1 ZINC000396356189 972864206 /nfs/dbraw/zinc/86/42/06/972864206.db2.gz BWFZWBPUXVGWOO-SCLBCKFNSA-N -1 0 338.407 3.554 20 0 EHADRM Cc1cc(N2CCCCCC2)ccc1NC(=O)C1(C(=O)[O-])CC=CC1 ZINC001605194955 972922551 /nfs/dbraw/zinc/92/25/51/972922551.db2.gz RNFNXBMZAWQKJJ-UHFFFAOYSA-N -1 0 342.439 3.735 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000396655928 972931721 /nfs/dbraw/zinc/93/17/21/972931721.db2.gz WCXRVHQXWHSLAQ-VIFPVBQESA-N -1 0 348.742 3.689 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@H]2CSc3ccccc32)cc1 ZINC000396656653 972932067 /nfs/dbraw/zinc/93/20/67/972932067.db2.gz WOWNRZYQIFAESB-NHYWBVRUSA-N -1 0 327.405 3.703 20 0 EHADRM Cc1cc(NC(=O)c2ccc3c(C)cc(=O)[nH]c3c2)ccc1C(=O)[O-] ZINC001605212456 972954597 /nfs/dbraw/zinc/95/45/97/972954597.db2.gz ZHOHNVQYYONBNO-UHFFFAOYSA-N -1 0 336.347 3.508 20 0 EHADRM Cc1ccc(-c2cc(C(=O)Nc3cccc(C(=O)[O-])c3)n[nH]2)cc1C ZINC001605231942 972983387 /nfs/dbraw/zinc/98/33/87/972983387.db2.gz RSIXYXRNOOSWDP-UHFFFAOYSA-N -1 0 335.363 3.644 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)N2CCCC3(CCCC3)C2)c2ccccc21 ZINC001605977371 973004465 /nfs/dbraw/zinc/00/44/65/973004465.db2.gz JQJVMRFLVZRMBD-SJORKVTESA-N -1 0 342.439 3.665 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1C(F)(F)F ZINC001605252768 973014454 /nfs/dbraw/zinc/01/44/54/973014454.db2.gz CQBMASAPRWAJOA-UHFFFAOYSA-N -1 0 339.269 3.670 20 0 EHADRM Cc1ccc(C[C@@H]2CCCN(C(=O)[C@@]3(C(=O)[O-])CC=CCC3)C2)cc1 ZINC001605264328 973044459 /nfs/dbraw/zinc/04/44/59/973044459.db2.gz IMLWWCVTDHBKGB-GHTZIAJQSA-N -1 0 341.451 3.587 20 0 EHADRM Cc1ccc(F)cc1NCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001605284864 973086213 /nfs/dbraw/zinc/08/62/13/973086213.db2.gz UEXXDEHXQNOGGH-CYBMUJFWSA-N -1 0 332.375 3.640 20 0 EHADRM Cc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1Cl ZINC001605289535 973102636 /nfs/dbraw/zinc/10/26/36/973102636.db2.gz XYTUPCZDKNHWOM-AWEZNQCLSA-N -1 0 336.750 3.735 20 0 EHADRM Cc1ccc(OC(=O)[C@H](C(=O)[O-])C2CCCC2)cc1Br ZINC001605296514 973107623 /nfs/dbraw/zinc/10/76/23/973107623.db2.gz JKFFJZOKQDANJF-ZDUSSCGKSA-N -1 0 341.201 3.554 20 0 EHADRM Cc1cccc([C@@H](NC(=O)C[C@@H](C)c2cccc(F)c2)C(=O)[O-])c1 ZINC001605327722 973171361 /nfs/dbraw/zinc/17/13/61/973171361.db2.gz GLBDGPUUQBMKFJ-FZKQIMNGSA-N -1 0 329.371 3.570 20 0 EHADRM Cc1cccc([C@H](NC(=O)OCc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC001605327777 973172595 /nfs/dbraw/zinc/17/25/95/973172595.db2.gz GLVOUPMPXDYKNX-HNNXBMFYSA-N -1 0 333.771 3.701 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)O[C@H](C2CCCC2)C(F)(F)F)co1 ZINC001606063502 973190633 /nfs/dbraw/zinc/19/06/33/973190633.db2.gz BJTIIPKOUJLPJD-CFHLNLSMSA-N -1 0 332.274 3.655 20 0 EHADRM O=C([O-])CC1(C(=O)Nc2ccc(Br)cc2Cl)CCC1 ZINC001606071508 973217050 /nfs/dbraw/zinc/21/70/50/973217050.db2.gz FDSNYBUYZQLFFE-UHFFFAOYSA-N -1 0 346.608 3.686 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cc(Cl)cc(Cl)c2F)CC[C@H]1C(=O)[O-] ZINC001603450029 973245872 /nfs/dbraw/zinc/24/58/72/973245872.db2.gz JRIMXCDFTXEHBK-IONNQARKSA-N -1 0 349.189 3.707 20 0 EHADRM Cc1ccccc1NC1(CNC(=O)[C@@H](C(=O)[O-])C(C)(C)C)CCCC1 ZINC001605356343 973270720 /nfs/dbraw/zinc/27/07/20/973270720.db2.gz QHKBEOAOOUWKJS-INIZCTEOSA-N -1 0 346.471 3.583 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)c1cc(SC)ccc1Cl)C(=O)[O-] ZINC000400419627 973275761 /nfs/dbraw/zinc/27/57/61/973275761.db2.gz BRVSRMZEEHVZPP-TVQRCGJNSA-N -1 0 329.849 3.681 20 0 EHADRM Cc1nc(-c2ccccc2)sc1C(=O)N(CC(=O)[O-])CC(C)(C)C ZINC001605393836 973367447 /nfs/dbraw/zinc/36/74/47/973367447.db2.gz XVRBQINMDMPWEX-UHFFFAOYSA-N -1 0 346.452 3.691 20 0 EHADRM O=C([O-])CCCNC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC001606178068 973424697 /nfs/dbraw/zinc/42/46/97/973424697.db2.gz MGUCWBAGGMPFMO-QGZVFWFLSA-N -1 0 346.814 3.593 20 0 EHADRM Cc1onc(-c2ccccc2Cl)c1-c1nc([C@@H](C)C(=O)[O-])no1 ZINC001605460095 973553796 /nfs/dbraw/zinc/55/37/96/973553796.db2.gz OHRPLARHPXIXHX-SSDOTTSWSA-N -1 0 333.731 3.542 20 0 EHADRM CCC(CC)(CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1C)C(=O)[O-] ZINC001603535459 973588734 /nfs/dbraw/zinc/58/87/34/973588734.db2.gz ORCOJTFZRHGADQ-CJNGLKHVSA-N -1 0 332.444 3.500 20 0 EHADRM CC[C@H](CNC(=O)C(C)(C)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001603549811 973613931 /nfs/dbraw/zinc/61/39/31/973613931.db2.gz CKCQFHKIPIYIAP-GFCCVEGCSA-N -1 0 345.361 3.501 20 0 EHADRM CC[C@@H](CC(F)(F)F)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000402521520 973616381 /nfs/dbraw/zinc/61/63/81/973616381.db2.gz OOPAPCGLLLTGNY-AAEUAGOBSA-N -1 0 331.334 3.687 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2ccc3c(c2)CCCCC3)CCCC1 ZINC000404714272 973743094 /nfs/dbraw/zinc/74/30/94/973743094.db2.gz SHFPFBYRHBLYLQ-UHFFFAOYSA-N -1 0 330.428 3.865 20 0 EHADRM CC[C@H](NC(=O)Nc1ccccc1C(=O)[O-])c1ccccc1OC ZINC001603582988 973746940 /nfs/dbraw/zinc/74/69/40/973746940.db2.gz WDJQRPFCTQRRSE-AWEZNQCLSA-N -1 0 328.368 3.666 20 0 EHADRM CCCO[C@H]1CCCN(C(=O)c2cc(F)c([O-])c(Cl)c2)CC1 ZINC000274497604 1014138560 /nfs/dbraw/zinc/13/85/60/1014138560.db2.gz OYWIPYHUGVBRSV-LBPRGKRZSA-N -1 0 329.799 3.606 20 0 EHADRM Cc1oc(-c2cccs2)nc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000049407035 1014140036 /nfs/dbraw/zinc/14/00/36/1014140036.db2.gz KPGHLSQVFCYJAT-LBPRGKRZSA-N -1 0 338.392 3.608 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)Nc1ccc(Cl)cc1Cl)CC1CC1 ZINC000405314055 973825148 /nfs/dbraw/zinc/82/51/48/973825148.db2.gz OKIBJLBOLVYYKX-SECBINFHSA-N -1 0 331.199 3.616 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)N[C@@H](C)c2cc(C)cc(C)c2)C1 ZINC001603600142 973831369 /nfs/dbraw/zinc/83/13/69/973831369.db2.gz GINWWBCVRFSFBE-KXBFYZLASA-N -1 0 332.444 3.651 20 0 EHADRM CCC1(CC)CCCN(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)C1 ZINC001603612090 973895487 /nfs/dbraw/zinc/89/54/87/973895487.db2.gz YZOPDORXCOEHOR-IBGZPJMESA-N -1 0 346.471 3.641 20 0 EHADRM COc1ccc(-c2n[nH]cc2CNc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC001604747348 973960536 /nfs/dbraw/zinc/96/05/36/973960536.db2.gz ZJNLVFWUYPLSGP-UHFFFAOYSA-N -1 0 337.379 3.704 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1ccccc1OC1CCCC1 ZINC000417739654 973967283 /nfs/dbraw/zinc/96/72/83/973967283.db2.gz QORCMQCQSXMLJS-UHFFFAOYSA-N -1 0 334.416 3.775 20 0 EHADRM CC(C)(c1ccc(NC(=O)NCCCC(=O)[O-])cc1)C(F)(F)F ZINC000417794026 973968700 /nfs/dbraw/zinc/96/87/00/973968700.db2.gz MMSSWSPQFFRPDL-UHFFFAOYSA-N -1 0 332.322 3.513 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2ccc(Oc3ccccc3)cn2)cc1 ZINC001606489099 973971463 /nfs/dbraw/zinc/97/14/63/973971463.db2.gz BPACLHVIUAHOBZ-UHFFFAOYSA-N -1 0 348.358 3.502 20 0 EHADRM COc1ccc([C@H](NC(=O)[C@H](C(=O)[O-])C2CCCC2)C2CCC2)cc1 ZINC001604772820 973995195 /nfs/dbraw/zinc/99/51/95/973995195.db2.gz RHPPRCNRQFNYMD-QZTJIDSGSA-N -1 0 345.439 3.544 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1 ZINC000422577980 973996259 /nfs/dbraw/zinc/99/62/59/973996259.db2.gz VFVRYLYCOYEGOV-GFCCVEGCSA-N -1 0 329.371 3.757 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccnn1[C@H](C)CC(C)C)C(=O)[O-] ZINC000424380868 974022567 /nfs/dbraw/zinc/02/25/67/974022567.db2.gz LMEXRLSVUATBOC-CYBMUJFWSA-N -1 0 338.452 3.503 20 0 EHADRM CCSc1cccc(F)c1NC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000424385053 974023768 /nfs/dbraw/zinc/02/37/68/974023768.db2.gz GCOAGXMQHZXZJC-NSHDSACASA-N -1 0 342.436 3.806 20 0 EHADRM O=C([O-])[C@H](NCc1cc(F)ccc1F)c1ccc(Cl)c(F)c1 ZINC000426754806 974046597 /nfs/dbraw/zinc/04/65/97/974046597.db2.gz UGEFTUNODSTZRY-CQSZACIVSA-N -1 0 329.705 3.673 20 0 EHADRM O=C([O-])[C@H](NCc1nc(-c2ccccc2)cs1)c1cccs1 ZINC000426787590 974047858 /nfs/dbraw/zinc/04/78/58/974047858.db2.gz GBVLMBPJDFMJSI-OAHLLOKOSA-N -1 0 330.434 3.787 20 0 EHADRM Cc1ccc([C@H](CNC(=O)c2cc(C)cc(Cl)c2)C(=O)[O-])cc1 ZINC000431530187 974068148 /nfs/dbraw/zinc/06/81/48/974068148.db2.gz GJFZQSAXSDZLCW-INIZCTEOSA-N -1 0 331.799 3.555 20 0 EHADRM CC[C@H](NC(=O)c1ccc(Sc2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000431664662 974072620 /nfs/dbraw/zinc/07/26/20/974072620.db2.gz MKFYYTQDUJAIJU-NSHDSACASA-N -1 0 339.800 3.677 20 0 EHADRM CCn1nc(C(C)C)cc1C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000432006224 974084290 /nfs/dbraw/zinc/08/42/90/974084290.db2.gz JCUAACBNZGTQQQ-CYBMUJFWSA-N -1 0 343.427 3.542 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)CCCc2ccccn2)c1Cl ZINC001605675988 974086113 /nfs/dbraw/zinc/08/61/13/974086113.db2.gz HKBJCMGTUNJOAS-UHFFFAOYSA-N -1 0 336.750 3.534 20 0 EHADRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1Cl ZINC000432128358 974090589 /nfs/dbraw/zinc/09/05/89/974090589.db2.gz FAXVFZFBDPTYHT-AWEZNQCLSA-N -1 0 349.789 3.685 20 0 EHADRM C[C@@]1(NC(=O)CSc2ccccc2Cl)CCCC[C@H]1C(=O)[O-] ZINC000432124246 974090610 /nfs/dbraw/zinc/09/06/10/974090610.db2.gz YTCXSVHEYAPOBD-MEDUHNTESA-N -1 0 341.860 3.582 20 0 EHADRM Cc1[nH]c2ccc(C(=O)N[C@@]3(C)CCCC[C@@H]3C(=O)[O-])cc2c1C ZINC000432137436 974092633 /nfs/dbraw/zinc/09/26/33/974092633.db2.gz DPADCKLBRVEFQY-BEFAXECRSA-N -1 0 328.412 3.548 20 0 EHADRM COc1cccc(-c2csc(C[N@@H+]3C[C@H](C(=O)[O-])CC[C@@H]3C)n2)c1 ZINC001604854484 974093386 /nfs/dbraw/zinc/09/33/86/974093386.db2.gz BMIRHILKDOKPSB-GXTWGEPZSA-N -1 0 346.452 3.504 20 0 EHADRM COc1ccc2oc(CN[C@@H](C(=O)[O-])c3cccc(C)c3)cc2c1 ZINC001604854832 974094961 /nfs/dbraw/zinc/09/49/61/974094961.db2.gz JAFFYTBNASUWSN-GOSISDBHSA-N -1 0 325.364 3.665 20 0 EHADRM CCc1ccccc1C(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000434787592 974096346 /nfs/dbraw/zinc/09/63/46/974096346.db2.gz RJOTTXCCCKHHBJ-UHFFFAOYSA-N -1 0 331.799 3.629 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000442752428 974120164 /nfs/dbraw/zinc/12/01/64/974120164.db2.gz ROUDZAVBZUODDJ-UWVGGRQHSA-N -1 0 332.227 3.809 20 0 EHADRM COc1ccccc1[C@@H]1CCCN(C(=O)[C@H](C(=O)[O-])C(C)(C)C)CC1 ZINC001604883805 974137643 /nfs/dbraw/zinc/13/76/43/974137643.db2.gz NYBKRYDKRBLXTH-RHSMWYFYSA-N -1 0 347.455 3.538 20 0 EHADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)CCCc1ccc(C(C)(C)C)cc1 ZINC000455892632 974164711 /nfs/dbraw/zinc/16/47/11/974164711.db2.gz NCZFYTSKEQAXBM-WMLDXEAASA-N -1 0 331.456 3.628 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc(F)cc1 ZINC000472021799 974200712 /nfs/dbraw/zinc/20/07/12/974200712.db2.gz YDMOBSJIDCCCQQ-GFCCVEGCSA-N -1 0 331.343 3.547 20 0 EHADRM C[C@@]1(NC(=O)c2ccc(C(=O)[O-])cc2F)CCCc2ccccc21 ZINC000478846062 974211160 /nfs/dbraw/zinc/21/11/60/974211160.db2.gz QCHFIKRUYMEHTP-LJQANCHMSA-N -1 0 327.355 3.505 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)/C=C\c1ccsc1)C(=O)[O-] ZINC000492115072 974257344 /nfs/dbraw/zinc/25/73/44/974257344.db2.gz DBASZVPWRRFDHS-WBTMPAOCSA-N -1 0 329.421 3.511 20 0 EHADRM CCOC(=O)N(C)c1ccc(NCc2ccc(C(=O)[O-])cc2)cc1 ZINC001603800619 974268183 /nfs/dbraw/zinc/26/81/83/974268183.db2.gz IGXBGUTVNPIPCR-UHFFFAOYSA-N -1 0 328.368 3.590 20 0 EHADRM Cc1ccccc1[C@@H](C(=O)[O-])N1CCO[C@H](c2ccccc2C)C1 ZINC000515855545 974302904 /nfs/dbraw/zinc/30/29/04/974302904.db2.gz HOEJHRVJXGYIQA-OALUTQOASA-N -1 0 325.408 3.503 20 0 EHADRM C[C@H]1CN(Cc2csc(C(=O)[O-])c2)C[C@H](c2ccc(F)cc2)O1 ZINC000517948071 974320183 /nfs/dbraw/zinc/32/01/83/974320183.db2.gz COPIBAFGSVUACD-XHDPSFHLSA-N -1 0 335.400 3.547 20 0 EHADRM Cc1cc(C)c(-c2csc(NC(=O)C3(C(=O)[O-])CC3)n2)c(C)c1 ZINC000521631220 974346176 /nfs/dbraw/zinc/34/61/76/974346176.db2.gz HJTRDQISLAQCFE-UHFFFAOYSA-N -1 0 330.409 3.539 20 0 EHADRM CC(C)c1ncc2c(n1)CCN(Cc1cc(C(=O)[O-])ccc1Cl)C2 ZINC000527618808 974352876 /nfs/dbraw/zinc/35/28/76/974352876.db2.gz ZWZKZZMBMSUHJC-UHFFFAOYSA-N -1 0 345.830 3.510 20 0 EHADRM Cc1cc(NC(=O)c2ccc(OC3CCC3)cc2)ccc1C(=O)[O-] ZINC000534165706 974378325 /nfs/dbraw/zinc/37/83/25/974378325.db2.gz KVSUHJHYMQKGRS-UHFFFAOYSA-N -1 0 325.364 3.877 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2ccccc2OCC2CC2)CCCCC1 ZINC000538577685 974391545 /nfs/dbraw/zinc/39/15/45/974391545.db2.gz DNJSJDOWINURGF-UHFFFAOYSA-N -1 0 345.439 3.630 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)NC(CC)(CC)CC(=O)[O-] ZINC000540712939 974406471 /nfs/dbraw/zinc/40/64/71/974406471.db2.gz OEVITTSSHVPCIR-AWEZNQCLSA-N -1 0 335.444 3.729 20 0 EHADRM Cc1c(C(=O)Nc2ccc(C)cc2C(=O)[O-])cnn1-c1cccc(C)c1 ZINC000542519149 974415156 /nfs/dbraw/zinc/41/51/56/974415156.db2.gz VCXHSHBLWDYOLN-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM CCc1ccc([C@H](NC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)C(C)C)cc1 ZINC001603969133 974454420 /nfs/dbraw/zinc/45/44/20/974454420.db2.gz ZGWOKGQCNUXMQO-FHLIZLRMSA-N -1 0 346.471 3.698 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000553935158 974481407 /nfs/dbraw/zinc/48/14/07/974481407.db2.gz STSZWNDWAWLLTG-UHFFFAOYSA-N -1 0 341.754 3.681 20 0 EHADRM CCc1oc2ccccc2c1CC(=O)N1CCC[C@](CC)(C(=O)[O-])C1 ZINC001603997434 974500048 /nfs/dbraw/zinc/50/00/48/974500048.db2.gz CHAOSWQQFBZXQC-FQEVSTJZSA-N -1 0 343.423 3.641 20 0 EHADRM CC(C)Oc1ccccc1[C@@H](C)NC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000560103788 974500593 /nfs/dbraw/zinc/50/05/93/974500593.db2.gz YUUCBQIXIOJOFO-CQSZACIVSA-N -1 0 341.407 3.592 20 0 EHADRM CC(C)(C)c1ccccc1OCC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000562404180 974506372 /nfs/dbraw/zinc/50/63/72/974506372.db2.gz HXYMBSYVCNFROY-UHFFFAOYSA-N -1 0 333.409 3.761 20 0 EHADRM CCn1cc(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c2ccccc21 ZINC001604007186 974513404 /nfs/dbraw/zinc/51/34/04/974513404.db2.gz XOQUVSFKRRMYHM-OAHLLOKOSA-N -1 0 330.428 3.671 20 0 EHADRM Cc1cc(C)cc(OCC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c1 ZINC000563383723 974530869 /nfs/dbraw/zinc/53/08/69/974530869.db2.gz TYDXLTOEKRSEPX-AWEZNQCLSA-N -1 0 327.380 3.509 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)NCc1ccccc1Oc1ccccc1 ZINC000564225767 974545601 /nfs/dbraw/zinc/54/56/01/974545601.db2.gz LXSPJLUUQNGNSJ-AWEZNQCLSA-N -1 0 327.380 3.596 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000564226419 974545999 /nfs/dbraw/zinc/54/59/99/974545999.db2.gz XDYPXCUFKMEKCS-SJLPKXTDSA-N -1 0 331.456 3.891 20 0 EHADRM C[C@H](c1ccc(C(=O)[O-])o1)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000565366515 974581415 /nfs/dbraw/zinc/58/14/15/974581415.db2.gz SUXNTJSOACDZTJ-BZNIZROVSA-N -1 0 335.787 3.766 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(NCCC3CC(F)(F)C3)c12 ZINC000567356316 974632807 /nfs/dbraw/zinc/63/28/07/974632807.db2.gz GYYLMTJVGBLHIF-UHFFFAOYSA-N -1 0 341.383 3.854 20 0 EHADRM CC(C)CO[C@@H]1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC000568066743 974659673 /nfs/dbraw/zinc/65/96/73/974659673.db2.gz BDGPCFOOZFWWSA-IAQYHMDHSA-N -1 0 346.254 3.866 20 0 EHADRM CCCC[C@@H](Sc1nn2cc(-c3cccnc3)nc2s1)C(=O)[O-] ZINC000568108761 974663103 /nfs/dbraw/zinc/66/31/03/974663103.db2.gz LYMIAFQHMNKWOG-GFCCVEGCSA-N -1 0 348.453 3.588 20 0 EHADRM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000568284292 974665513 /nfs/dbraw/zinc/66/55/13/974665513.db2.gz BKVNBZWHOAMDIH-WMLDXEAASA-N -1 0 333.428 3.926 20 0 EHADRM Cc1csc2nc(C)nc(N3CCc4ccc(C(=O)[O-])cc4C3)c12 ZINC000569007907 974682861 /nfs/dbraw/zinc/68/28/61/974682861.db2.gz OVWCZAOYUIRKCB-UHFFFAOYSA-N -1 0 339.420 3.569 20 0 EHADRM COCc1cc(NC(=O)CCc2cccc(Cl)c2)cc(C(=O)[O-])c1 ZINC000569446214 974691094 /nfs/dbraw/zinc/69/10/94/974691094.db2.gz XWNFBOWJQCZWQK-UHFFFAOYSA-N -1 0 347.798 3.756 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CN(Cc2nc(C(=O)[O-])cs2)C2CC2)o1 ZINC000570808135 974718083 /nfs/dbraw/zinc/71/80/83/974718083.db2.gz CXLSOMUHGLHOIK-GXFFZTMASA-N -1 0 332.425 3.722 20 0 EHADRM O=C([O-])c1cc(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)cs1 ZINC000571097537 974723671 /nfs/dbraw/zinc/72/36/71/974723671.db2.gz YVQFHYDVAHPEKQ-UHFFFAOYSA-N -1 0 347.280 3.763 20 0 EHADRM CSc1ccc([C@@H](C)NC(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC000572663479 974752469 /nfs/dbraw/zinc/75/24/69/974752469.db2.gz QCEMUVIKXVJMQK-CYBMUJFWSA-N -1 0 343.448 3.917 20 0 EHADRM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000573534496 974767265 /nfs/dbraw/zinc/76/72/65/974767265.db2.gz QGCTYOSJZGLQPC-XPGWFJOJSA-N -1 0 347.414 3.583 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1cccc(COc2cccc(F)c2)c1 ZINC000573981140 974774810 /nfs/dbraw/zinc/77/48/10/974774810.db2.gz JIXDLPMAJFBVTR-CYBMUJFWSA-N -1 0 345.370 3.844 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N1[C@@H]2CC[C@H]1CC(C)C2)C(=O)[O-] ZINC000575196246 974797527 /nfs/dbraw/zinc/79/75/27/974797527.db2.gz HBIOXBKBAQFAOQ-CPIKKWJDSA-N -1 0 333.453 3.655 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)c1cnc2ccsc2c1)c1ccccc1 ZINC000578708298 974860162 /nfs/dbraw/zinc/86/01/62/974860162.db2.gz RKXLJEIXLFVVGB-CQSZACIVSA-N -1 0 340.404 3.632 20 0 EHADRM O=C([O-])c1ccccc1CN1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000579614929 974879260 /nfs/dbraw/zinc/87/92/60/974879260.db2.gz RFSWVTYEBCIUQE-QGZVFWFLSA-N -1 0 331.799 3.612 20 0 EHADRM COc1ccc(Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)c(CO)c1 ZINC001211487921 1014221153 /nfs/dbraw/zinc/22/11/53/1014221153.db2.gz WTLLRTWNYQOYOA-UHFFFAOYSA-N -1 0 341.285 3.648 20 0 EHADRM C[C@H]1CN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC(C)(C)O1 ZINC000583386832 974940674 /nfs/dbraw/zinc/94/06/74/974940674.db2.gz NSDLYWSVDHGJOG-ZANVPECISA-N -1 0 332.227 3.618 20 0 EHADRM O=C([O-])[C@H](c1ccc(F)cc1)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000584535020 974956578 /nfs/dbraw/zinc/95/65/78/974956578.db2.gz NRKHOTTXZKRHOB-IRXDYDNUSA-N -1 0 349.789 3.678 20 0 EHADRM CCCCS[C@H](C)C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC000600869915 975007593 /nfs/dbraw/zinc/00/75/93/975007593.db2.gz NHLABHGCPISCPY-GHMZBOCLSA-N -1 0 343.420 3.538 20 0 EHADRM Cc1c(NC(=O)CCCOCCc2ccccc2)cccc1C(=O)[O-] ZINC000614630839 975021684 /nfs/dbraw/zinc/02/16/84/975021684.db2.gz MTUXZNPSVOTEBC-UHFFFAOYSA-N -1 0 341.407 3.671 20 0 EHADRM CC(C)=C[C@H]1[C@H](C(=O)N2CCc3c(cccc3C(=O)[O-])C2)C1(C)C ZINC000621579163 975040136 /nfs/dbraw/zinc/04/01/36/975040136.db2.gz YRTZZCKZJPZWPB-DLBZAZTESA-N -1 0 327.424 3.508 20 0 EHADRM CCN(CC(=O)[O-])Cc1coc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000629360404 975082045 /nfs/dbraw/zinc/08/20/45/975082045.db2.gz QHNYUWYTWCVWHD-UHFFFAOYSA-N -1 0 329.183 3.555 20 0 EHADRM Cc1ccccc1C[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000630100923 975101238 /nfs/dbraw/zinc/10/12/38/975101238.db2.gz IAXLWORETODREL-HIFRSBDPSA-N -1 0 331.437 3.567 20 0 EHADRM C[C@@H]1C[C@H](C(=O)Nc2ccccc2SC2CCCC2)O[C@H]1C(=O)[O-] ZINC000630110066 975104633 /nfs/dbraw/zinc/10/46/33/975104633.db2.gz XWXSKQFICAOOGR-DJSGYFEHSA-N -1 0 349.452 3.538 20 0 EHADRM CSc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)co1 ZINC000630127062 975112906 /nfs/dbraw/zinc/11/29/06/975112906.db2.gz NGDJKQZNDZFUBI-UHFFFAOYSA-N -1 0 335.381 3.739 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C[C@@H](C)C(F)(F)F ZINC000630127082 975112998 /nfs/dbraw/zinc/11/29/98/975112998.db2.gz NSVJSPHLGFHGGB-SECBINFHSA-N -1 0 333.306 3.699 20 0 EHADRM CC(C)(C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)[C@H]1CCCCO1 ZINC000630133690 975118351 /nfs/dbraw/zinc/11/83/51/975118351.db2.gz HNBFZMALOHRQGE-CYBMUJFWSA-N -1 0 325.792 3.572 20 0 EHADRM CCOc1cccc(CCC(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC000630139931 975123975 /nfs/dbraw/zinc/12/39/75/975123975.db2.gz GEMJAAGFIFTFEY-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM CCC[C@H](C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1)c1ccccn1 ZINC000630162333 975137364 /nfs/dbraw/zinc/13/73/64/975137364.db2.gz IHVMALDDEHNCGH-PBHICJAKSA-N -1 0 340.423 3.867 20 0 EHADRM Cc1cc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)oc1C(=O)[O-] ZINC000630181762 975145439 /nfs/dbraw/zinc/14/54/39/975145439.db2.gz NWOQBFNQWYIODP-ARFHVFGLSA-N -1 0 339.391 3.695 20 0 EHADRM Cc1cccc([C@@H](C)C(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)c1 ZINC000630239893 975184897 /nfs/dbraw/zinc/18/48/97/975184897.db2.gz BPRQBDONHXYTSH-CYBMUJFWSA-N -1 0 341.382 3.521 20 0 EHADRM O=C([O-])c1ccc(F)c2c1CN(C(=O)C1CCC(C3CC3)CC1)CC2 ZINC000630243380 975189147 /nfs/dbraw/zinc/18/91/47/975189147.db2.gz XZGWZHQHLPONSX-UHFFFAOYSA-N -1 0 345.414 3.625 20 0 EHADRM CC[C@H](NC(=O)Cc1ccccc1C(=O)[O-])c1cc(C)ccc1C ZINC000630275187 975219669 /nfs/dbraw/zinc/21/96/69/975219669.db2.gz SGGGRONQNPLVAC-SFHVURJKSA-N -1 0 325.408 3.812 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCCCCc2cccs2)[C@H]2CCC[C@H]21 ZINC000630277313 975221702 /nfs/dbraw/zinc/22/17/02/975221702.db2.gz FSNFXLVFADKGHU-BBWFWOEESA-N -1 0 349.496 3.953 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC000630278212 975222420 /nfs/dbraw/zinc/22/24/20/975222420.db2.gz GEEUYEXIAWJSQT-VNHYZAJKSA-N -1 0 345.370 3.596 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3s2)[C@@H]2CCC[C@H]21 ZINC000630278842 975223312 /nfs/dbraw/zinc/22/33/12/975223312.db2.gz ILYVBKSAROEPME-BFHYXJOUSA-N -1 0 347.411 3.756 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2[nH]c3ccccc3c2Cl)[C@H]2CCC[C@H]21 ZINC000630284022 975229062 /nfs/dbraw/zinc/22/90/62/975229062.db2.gz VTJSMDGMNDVDPF-WDMOLILDSA-N -1 0 346.814 3.537 20 0 EHADRM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000630293442 975234485 /nfs/dbraw/zinc/23/44/85/975234485.db2.gz UJADZKIGMQUFNF-IIAWOOMASA-N -1 0 337.847 3.668 20 0 EHADRM CN(C(=O)c1cccc(C(=O)[O-])n1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000630295520 975234905 /nfs/dbraw/zinc/23/49/05/975234905.db2.gz GKPPIFRGOVVFDI-MAUKXSAKSA-N -1 0 338.407 3.578 20 0 EHADRM C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000630299077 975238303 /nfs/dbraw/zinc/23/83/03/975238303.db2.gz IKULLFMQKVUDAO-OWIUFQIYSA-N -1 0 329.440 3.707 20 0 EHADRM Cc1cc(C)cc(OCC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c1 ZINC000630327388 975254019 /nfs/dbraw/zinc/25/40/19/975254019.db2.gz FRAVZJXGMUIDLO-ZWKOTPCHSA-N -1 0 339.391 3.509 20 0 EHADRM CCCc1cc(C(=O)Nc2c(C)nn(CCC(=O)[O-])c2C)sc1C ZINC000630334047 975262822 /nfs/dbraw/zinc/26/28/22/975262822.db2.gz UJELSZJLAJXDPU-UHFFFAOYSA-N -1 0 349.456 3.549 20 0 EHADRM Cc1cccc(C[C@]2(C)CCCN2C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000630340629 975263348 /nfs/dbraw/zinc/26/33/48/975263348.db2.gz HYKLDUZFUFJPNE-OPYAIIAOSA-N -1 0 343.467 3.810 20 0 EHADRM Cc1cnn(-c2ccc(C)cc2NC(=O)c2s[n-]c(=O)c2Cl)c1 ZINC000339345453 1014249577 /nfs/dbraw/zinc/24/95/77/1014249577.db2.gz WFKGXLRTPQSWGO-UHFFFAOYSA-N -1 0 348.815 3.557 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2)c1 ZINC000460831410 1032087548 /nfs/dbraw/zinc/08/75/48/1032087548.db2.gz LTGLTGGIFDEVCH-UHFFFAOYSA-N -1 0 341.436 3.797 20 0 EHADRM Cc1ccc2cc(Cl)cc(C(=O)N3CC[C@@H](C)C[C@@H]3C(=O)[O-])c2n1 ZINC000649251320 975389077 /nfs/dbraw/zinc/38/90/77/975389077.db2.gz VNZUMYOGZSGURV-MEBBXXQBSA-N -1 0 346.814 3.522 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)[C@H]2C[C@H]2C2CCCC2)cc1Cl ZINC000652063816 975463676 /nfs/dbraw/zinc/46/36/76/975463676.db2.gz VZMCQGJMINMKQJ-STQMWFEESA-N -1 0 337.803 3.568 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)C[C@@H](c1ccccc1)C(F)(F)F)C(=O)[O-] ZINC000652076868 975474273 /nfs/dbraw/zinc/47/42/73/975474273.db2.gz BUOVJEKRVBYPOP-QWHCGFSZSA-N -1 0 345.361 3.728 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)CC1CCC(C(F)(F)F)CC1)C(=O)[O-] ZINC000652079249 975475803 /nfs/dbraw/zinc/47/58/03/975475803.db2.gz ATOABXZREVFWIU-HTAVTVPLSA-N -1 0 337.382 3.751 20 0 EHADRM CC(C)O[C@H](CSCc1cnc(C(=O)[O-])cn1)c1ccccc1 ZINC001591687197 975502166 /nfs/dbraw/zinc/50/21/66/975502166.db2.gz YGEQZNVDBIXJJA-MRXNPFEDSA-N -1 0 332.425 3.574 20 0 EHADRM Cc1ncsc1CN(C)[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000652409425 975524972 /nfs/dbraw/zinc/52/49/72/975524972.db2.gz ZPNZBEHNNIWMIE-CYBMUJFWSA-N -1 0 344.358 3.728 20 0 EHADRM CC[C@@H]1c2ccsc2CCN1C(=O)c1cccc(CC(=O)[O-])c1 ZINC000653637866 975600956 /nfs/dbraw/zinc/60/09/56/975600956.db2.gz FMWUOKZAAGEXCG-OAHLLOKOSA-N -1 0 329.421 3.525 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC000653637932 975602336 /nfs/dbraw/zinc/60/23/36/975602336.db2.gz LHRBSJZZKHXMQV-SFHVURJKSA-N -1 0 325.408 3.831 20 0 EHADRM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cccc(CC(=O)[O-])c1 ZINC000653643054 975610961 /nfs/dbraw/zinc/61/09/61/975610961.db2.gz WMNLYDFUVIAGMV-CWTRNNRKSA-N -1 0 341.382 3.506 20 0 EHADRM CC(C)OCc1ccc(NC(=O)NCC2(C(=O)[O-])CCCCC2)cc1 ZINC001591730921 975702350 /nfs/dbraw/zinc/70/23/50/975702350.db2.gz IDBWBELTNATPJM-UHFFFAOYSA-N -1 0 348.443 3.768 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@@H]2CCC[C@@H]2Cc2ccccc2)CCCC1 ZINC000659151899 975753134 /nfs/dbraw/zinc/75/31/34/975753134.db2.gz PTQGFKYJJIFWRK-IAGOWNOFSA-N -1 0 329.440 3.549 20 0 EHADRM CC(C)Oc1c(NC(=O)[C@H]2CC23CCSCC3)cccc1C(=O)[O-] ZINC001591741542 975755767 /nfs/dbraw/zinc/75/57/67/975755767.db2.gz LDKIJSCQUDXLTN-CYBMUJFWSA-N -1 0 349.452 3.644 20 0 EHADRM CC[C@H](CNC(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)[O-] ZINC000659164068 975762738 /nfs/dbraw/zinc/76/27/38/975762738.db2.gz NJYZCSCKJPSPPW-DYVFJYSZSA-N -1 0 345.826 3.699 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCC[C@]1(C)Cc1ccccc1Cl ZINC000659171757 975770308 /nfs/dbraw/zinc/77/03/08/975770308.db2.gz GPRMURJKFOTSDT-FZKQIMNGSA-N -1 0 337.847 3.765 20 0 EHADRM C[C@]1(Cc2ccccc2Cl)CCCN1C(=O)CCCCC(=O)[O-] ZINC000659175107 975772788 /nfs/dbraw/zinc/77/27/88/975772788.db2.gz YNXWSSLXTRVYNS-GOSISDBHSA-N -1 0 337.847 3.909 20 0 EHADRM C[C@@H](C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21)c1ccsc1 ZINC000659182461 975777091 /nfs/dbraw/zinc/77/70/91/975777091.db2.gz NXIQJSPDVWLZAH-IUODEOHRSA-N -1 0 343.448 3.786 20 0 EHADRM CC(C)Oc1c(NC(=O)NCC(C)(C)C(C)C)cccc1C(=O)[O-] ZINC001591746382 975783912 /nfs/dbraw/zinc/78/39/12/975783912.db2.gz FKJDAEFJOWBKDG-UHFFFAOYSA-N -1 0 336.432 3.976 20 0 EHADRM Cc1cccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)c1Cl ZINC000659189632 975785252 /nfs/dbraw/zinc/78/52/52/975785252.db2.gz HKFRJSAGEDMHKY-YDHLFZDLSA-N -1 0 335.831 3.754 20 0 EHADRM CC[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21)c1ccccc1 ZINC000659191546 975788230 /nfs/dbraw/zinc/78/82/30/975788230.db2.gz DMKVPVIOBLCWPW-XWTMOSNGSA-N -1 0 329.440 3.672 20 0 EHADRM CC[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21)c1ccccc1 ZINC000659191538 975788757 /nfs/dbraw/zinc/78/87/57/975788757.db2.gz DMKVPVIOBLCWPW-XLAORIBOSA-N -1 0 329.440 3.672 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000659192069 975789652 /nfs/dbraw/zinc/78/96/52/975789652.db2.gz FBROKOGKTSOVDB-QMHWVQJVSA-N -1 0 347.480 3.652 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)C/C=C/c2cccc(F)c2)[C@@H]2CCCC[C@H]12 ZINC000659195687 975798468 /nfs/dbraw/zinc/79/84/68/975798468.db2.gz QYGNFKVYJMFYEZ-MFKDWPCTSA-N -1 0 345.414 3.721 20 0 EHADRM Cc1cc(Cl)cc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)c1 ZINC000659195817 975799467 /nfs/dbraw/zinc/79/94/67/975799467.db2.gz ZLHMYZRHQPZNGY-JYJNAYRXSA-N -1 0 335.831 3.754 20 0 EHADRM Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)c(C)n1C(C)C ZINC000659196683 975800977 /nfs/dbraw/zinc/80/09/77/975800977.db2.gz XELAEGOEHBUOFZ-RYRKJORJSA-N -1 0 346.471 3.791 20 0 EHADRM O=C([O-])C[C@H](CNC(=O)c1ccccc1Oc1ccccc1)C1CC1 ZINC000659205888 975814739 /nfs/dbraw/zinc/81/47/39/975814739.db2.gz WSBYDZPBOZGJSQ-OAHLLOKOSA-N -1 0 339.391 3.710 20 0 EHADRM O=C([O-])C[C@H](CNC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21)C1CC1 ZINC000659207838 975817736 /nfs/dbraw/zinc/81/77/36/975817736.db2.gz CYPAWUJPVGDKOD-LZQZEXGQSA-N -1 0 337.419 3.560 20 0 EHADRM Cc1c(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)oc2c1c(C)ccc2C ZINC000659209732 975820616 /nfs/dbraw/zinc/82/06/16/975820616.db2.gz LAKHBJVMQKULOB-CQSZACIVSA-N -1 0 329.396 3.589 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CC(C)(C)C1(C)C ZINC001591763674 975870519 /nfs/dbraw/zinc/87/05/19/975870519.db2.gz YKDQUMKLFIKVNW-UHFFFAOYSA-N -1 0 334.416 3.824 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NCc1cccc2[nH]c(=O)oc21 ZINC001591772931 975909438 /nfs/dbraw/zinc/90/94/38/975909438.db2.gz PKWDBUMMTYAHGC-UHFFFAOYSA-N -1 0 342.351 3.631 20 0 EHADRM CC(C)Oc1ccc(F)cc1NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001591777900 975933806 /nfs/dbraw/zinc/93/38/06/975933806.db2.gz AOGGUGZXHMELSA-VMPITWQZSA-N -1 0 333.315 3.556 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2ccccc2SC2CCCC2)CC1 ZINC000663340281 975944854 /nfs/dbraw/zinc/94/48/54/975944854.db2.gz BRCSCLJINQLOSX-UHFFFAOYSA-N -1 0 334.441 3.708 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2ccc(OCC3CCCCC3)cc2)CC1 ZINC000663345537 975946307 /nfs/dbraw/zinc/94/63/07/975946307.db2.gz XWIJITXBQZCQDY-UHFFFAOYSA-N -1 0 346.427 3.632 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N2CCC[C@H]2CC(=O)[O-])c(Cl)c1 ZINC001591786778 975961552 /nfs/dbraw/zinc/96/15/52/975961552.db2.gz RJYCJYHUIVFEPY-NSHDSACASA-N -1 0 340.807 3.598 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000668271648 975979651 /nfs/dbraw/zinc/97/96/51/975979651.db2.gz KZVMCGJPPXFXIT-UHFFFAOYSA-N -1 0 345.361 3.852 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)Cc1cccc(C2CC2)c1 ZINC000668274205 975981019 /nfs/dbraw/zinc/98/10/19/975981019.db2.gz XOLRYECBUCYRBA-UHFFFAOYSA-N -1 0 339.391 3.517 20 0 EHADRM C[C@@H](NC(=O)C(C1CCC1)C1CCC1)c1ccc(OCC(=O)[O-])cc1 ZINC000668290251 975986801 /nfs/dbraw/zinc/98/68/01/975986801.db2.gz NAVQZAZOCKXZAE-CYBMUJFWSA-N -1 0 345.439 3.544 20 0 EHADRM O=C([O-])CC[C@@H](CC1CCCCC1)NC(=O)CC1CC(F)(F)C1 ZINC000668292412 975987887 /nfs/dbraw/zinc/98/78/87/975987887.db2.gz GRMCSEOHUPQCEE-AWEZNQCLSA-N -1 0 331.403 3.742 20 0 EHADRM Cc1cccc([C@H]2CCN(C(=O)CCc3ccccc3C(=O)[O-])C2)c1 ZINC000668299075 975991618 /nfs/dbraw/zinc/99/16/18/975991618.db2.gz SLPWEXYEURUPFG-SFHVURJKSA-N -1 0 337.419 3.642 20 0 EHADRM CC(C)Oc1cccc(NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001591796675 976010944 /nfs/dbraw/zinc/01/09/44/976010944.db2.gz PBUNSLDDZPBVIH-UHFFFAOYSA-N -1 0 332.331 3.955 20 0 EHADRM CCn1cc(CC(=O)Nc2cccc(C(=O)[O-])c2C)c2ccccc21 ZINC000675965854 976020698 /nfs/dbraw/zinc/02/06/98/976020698.db2.gz CNWUAEHTEZPUCK-UHFFFAOYSA-N -1 0 336.391 3.849 20 0 EHADRM COc1ccc(C[C@H](C)C(=O)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC000678975683 976033287 /nfs/dbraw/zinc/03/32/87/976033287.db2.gz MRNAFLJMYLCJIE-LBPRGKRZSA-N -1 0 327.380 3.519 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)c1sc2cccc(C)c2c1Cl ZINC000678976072 976033351 /nfs/dbraw/zinc/03/33/51/976033351.db2.gz USMICXFDWJYQJW-UHFFFAOYSA-N -1 0 325.817 3.800 20 0 EHADRM CC(C)Oc1ncccc1C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC001591811474 976045645 /nfs/dbraw/zinc/04/56/45/976045645.db2.gz NAEJCYLQXLGWIU-UHFFFAOYSA-N -1 0 346.408 3.758 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000679104746 976046539 /nfs/dbraw/zinc/04/65/39/976046539.db2.gz XRJAIRRFMPDWSD-HUUCEWRRSA-N -1 0 349.496 3.764 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000679104744 976047274 /nfs/dbraw/zinc/04/72/74/976047274.db2.gz XRJAIRRFMPDWSD-CABCVRRESA-N -1 0 349.496 3.764 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])[C@@H]1COC[C@@H]1c1ccccc1 ZINC001625779029 1014302024 /nfs/dbraw/zinc/30/20/24/1014302024.db2.gz HLVFKCQNVPGDQV-CHWSQXEVSA-N -1 0 335.762 3.553 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)c1csc(-c2ccccc2F)n1 ZINC000681681836 976073069 /nfs/dbraw/zinc/07/30/69/976073069.db2.gz PVOORIZGJGEFMC-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM O=C([O-])[C@H](NCc1cc(F)cc(Cl)c1)c1cc(F)ccc1F ZINC000683173575 976079041 /nfs/dbraw/zinc/07/90/41/976079041.db2.gz MQXZOIATGLVUHG-CQSZACIVSA-N -1 0 329.705 3.673 20 0 EHADRM Cc1cc(Cl)c(C(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1C ZINC000683299143 976083035 /nfs/dbraw/zinc/08/30/35/976083035.db2.gz SBBGPPOPEOPEQB-CYBMUJFWSA-N -1 0 337.828 3.964 20 0 EHADRM Cc1ccc2cccc(C(=O)N3CCC[C@@H](C(C)(C)C(=O)[O-])C3)c2n1 ZINC000683326340 976088511 /nfs/dbraw/zinc/08/85/11/976088511.db2.gz VEKNZLBLHZTSNG-OAHLLOKOSA-N -1 0 340.423 3.506 20 0 EHADRM C[C@]1(NC(=O)c2cc3cc(Cl)ccc3[nH]2)CCCC[C@@H]1C(=O)[O-] ZINC000683332734 976090136 /nfs/dbraw/zinc/09/01/36/976090136.db2.gz LAXQQUOETVXRJK-PXAZEXFGSA-N -1 0 334.803 3.585 20 0 EHADRM CC(C)c1cc(C(=O)N[C@](C)(CCF)C(=O)[O-])c(O)c(C(C)C)c1 ZINC001591926112 976414193 /nfs/dbraw/zinc/41/41/93/976414193.db2.gz XQRFNCZHJQKPBQ-GOSISDBHSA-N -1 0 339.407 3.572 20 0 EHADRM CC(C)c1cc(Cl)ccc1NC(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC001591934833 976446707 /nfs/dbraw/zinc/44/67/07/976446707.db2.gz IFQQTNVGERBVKA-JQWIXIFHSA-N -1 0 346.761 3.551 20 0 EHADRM O=C([O-])CN(Cc1ccccc1)C(=O)c1cc2c(cccc2F)s1 ZINC000692403469 976446772 /nfs/dbraw/zinc/44/67/72/976446772.db2.gz NEXWQCDXMWEDNQ-UHFFFAOYSA-N -1 0 343.379 3.767 20 0 EHADRM CC(C)c1cc(NC(=O)Nc2cccc(OCC(=O)[O-])c2)ccc1O ZINC001591935617 976453483 /nfs/dbraw/zinc/45/34/83/976453483.db2.gz FMVGNDJLRWBMKB-UHFFFAOYSA-N -1 0 344.367 3.623 20 0 EHADRM CC(C)c1ccc(C2(C(=O)NC[C@H]3C[C@H]3C(=O)[O-])CCCCC2)cc1 ZINC001591948981 976503372 /nfs/dbraw/zinc/50/33/72/976503372.db2.gz OAVWIKRCSODEPS-SJLPKXTDSA-N -1 0 343.467 3.849 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)NC[C@H](CC2CC2)C(=O)[O-])cc1 ZINC001591949078 976504892 /nfs/dbraw/zinc/50/48/92/976504892.db2.gz QPXXYFXYCYIYSS-WHLIDYPQSA-N -1 0 329.440 3.830 20 0 EHADRM CC(C)c1ccc(C2(C(=O)N3CC[C@H](C(=O)[O-])[C@@H]3C)CCC2)cc1 ZINC001591949334 976507057 /nfs/dbraw/zinc/50/70/57/976507057.db2.gz VACMLMWEEXZAFE-YOEHRIQHSA-N -1 0 329.440 3.553 20 0 EHADRM CC(C)c1ccc(CN(C(=O)c2csc(C(=O)[O-])n2)C2CC2)cc1 ZINC001591954068 976521450 /nfs/dbraw/zinc/52/14/50/976521450.db2.gz IMGAONPTWZJEKM-UHFFFAOYSA-N -1 0 344.436 3.770 20 0 EHADRM CC(C)c1ccc(CNC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc1 ZINC001591957461 976528890 /nfs/dbraw/zinc/52/88/90/976528890.db2.gz JYFNDJSDQLRZEI-YLJYHZDGSA-N -1 0 344.455 3.596 20 0 EHADRM CC(C)c1ccc(NC(=O)Cc2c[nH]c3cnccc23)c(C(=O)[O-])c1 ZINC001591965910 976560848 /nfs/dbraw/zinc/56/08/48/976560848.db2.gz VWEJIHZMAJXRNJ-UHFFFAOYSA-N -1 0 337.379 3.566 20 0 EHADRM CC(C)c1ccc(NC(=O)c2cccc3nsnc32)c(C(=O)[O-])c1 ZINC001591968175 976565282 /nfs/dbraw/zinc/56/52/82/976565282.db2.gz JVFVVRRSUUGIAG-UHFFFAOYSA-N -1 0 341.392 3.765 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)NC[C@@H](CC(=O)[O-])C1CC1)CC2 ZINC001591974300 976587101 /nfs/dbraw/zinc/58/71/01/976587101.db2.gz RWOMELUKDXICQW-AEFFLSMTSA-N -1 0 344.455 3.597 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)CCSCC(=O)[O-])CCC2 ZINC001591981058 976595345 /nfs/dbraw/zinc/59/53/45/976595345.db2.gz LQBJCXUYUBRBQG-INIZCTEOSA-N -1 0 335.469 3.512 20 0 EHADRM CC(C)c1ccc2occ(C(=O)N[C@@H](C(=O)[O-])c3ccccn3)c2c1 ZINC001591981724 976598940 /nfs/dbraw/zinc/59/89/40/976598940.db2.gz ZSWYBRMVDXRWHW-QGZVFWFLSA-N -1 0 338.363 3.507 20 0 EHADRM CC(C)c1cccc(OCC(=O)NC[C@H](CC2CCCC2)C(=O)[O-])c1 ZINC001591994978 976637431 /nfs/dbraw/zinc/63/74/31/976637431.db2.gz XZEGBRSFHYACBA-KRWDZBQOSA-N -1 0 347.455 3.586 20 0 EHADRM CC(C)c1ccccc1N(C)C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001591995438 976641734 /nfs/dbraw/zinc/64/17/34/976641734.db2.gz XHOUZROUMUQWHG-UHFFFAOYSA-N -1 0 327.380 3.550 20 0 EHADRM CC(C)c1cnc(S[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])n1C ZINC001592003136 976658069 /nfs/dbraw/zinc/65/80/69/976658069.db2.gz VUFCBUHERAHMGA-AWEZNQCLSA-N -1 0 338.860 3.985 20 0 EHADRM CC(C)c1nc(N2CCC[C@@H](CCC(=O)[O-])C2)cc(C(C)(C)C)n1 ZINC001592021254 976713746 /nfs/dbraw/zinc/71/37/46/976713746.db2.gz ABZVTQQDFSJAHZ-AWEZNQCLSA-N -1 0 333.476 3.979 20 0 EHADRM CC(C)c1nnc(N2CCC(C(=O)[O-])CC2)n1C[C@H]1CCCC1(C)C ZINC001592061481 976817935 /nfs/dbraw/zinc/81/79/35/976817935.db2.gz UTWBSXJYFJTYNX-OAHLLOKOSA-N -1 0 348.491 3.529 20 0 EHADRM CC(C)c1sc(NC(=O)c2cccc3cccnc32)nc1C(=O)[O-] ZINC001592114778 976909453 /nfs/dbraw/zinc/90/94/53/976909453.db2.gz IYIJVRYJGYVDTN-UHFFFAOYSA-N -1 0 341.392 3.765 20 0 EHADRM C[C@H](/C=C\C(=O)[O-])NC(=O)c1ccccc1SCc1cccs1 ZINC001592218160 977290940 /nfs/dbraw/zinc/29/09/40/977290940.db2.gz PEQJJBRFBXANIJ-JLVNDZCYSA-N -1 0 347.461 3.800 20 0 EHADRM C[C@@H](CC(=O)Nc1ccccc1CC(=O)[O-])c1c[nH]c2ccccc21 ZINC001592273986 977545402 /nfs/dbraw/zinc/54/54/02/977545402.db2.gz IEZNDPUZOPURQB-ZDUSSCGKSA-N -1 0 336.391 3.927 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)[C@H](c1ccncc1)C1CCCCC1)C1CC1 ZINC001592277476 977554547 /nfs/dbraw/zinc/55/45/47/977554547.db2.gz CBYFJFQLLZRIRT-AZUAARDMSA-N -1 0 344.455 3.505 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N[C@H](C)c1ccc(-c2ccc(F)cc2)cc1 ZINC001592344201 977798539 /nfs/dbraw/zinc/79/85/39/977798539.db2.gz AASJPHHPHVOGTF-CHWSQXEVSA-N -1 0 329.371 3.781 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)NCC1(c2ccccc2)CCCCCC1 ZINC001592385439 977929230 /nfs/dbraw/zinc/92/92/30/977929230.db2.gz VINQURICWMGOHI-INIZCTEOSA-N -1 0 331.456 3.896 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC001592394497 977945165 /nfs/dbraw/zinc/94/51/65/977945165.db2.gz ITSVHCINHLVTBT-NSHDSACASA-N -1 0 348.786 3.967 20 0 EHADRM C[C@@H](c1noc([C@@H](C)CC(=O)[O-])n1)c1ccc(Br)cc1 ZINC001592424471 978046107 /nfs/dbraw/zinc/04/61/07/978046107.db2.gz SOYGBJMCFYDFOZ-DTWKUNHWSA-N -1 0 339.189 3.562 20 0 EHADRM C[C@@H](CC(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1)c1ccncc1 ZINC001592437914 978081110 /nfs/dbraw/zinc/08/11/10/978081110.db2.gz MYHXIMRASGANDI-ZDUSSCGKSA-N -1 0 327.380 3.543 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC001592453226 978152341 /nfs/dbraw/zinc/15/23/41/978152341.db2.gz PCZCTAHUPPBPDE-HNNXBMFYSA-N -1 0 343.467 3.894 20 0 EHADRM C[C@H](CCC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)c1ccccc1 ZINC001592471074 978228731 /nfs/dbraw/zinc/22/87/31/978228731.db2.gz VZGKGFXNGWRRKZ-GFCCVEGCSA-N -1 0 337.379 3.784 20 0 EHADRM C[C@@H](CCC1CCCCC1)NC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001592476765 978237225 /nfs/dbraw/zinc/23/72/25/978237225.db2.gz CIEXHZZIJVFKIW-QOKNQOGYSA-N -1 0 336.476 3.632 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC001592491457 978283928 /nfs/dbraw/zinc/28/39/28/978283928.db2.gz LXYDIUBGCGVREX-MRXNPFEDSA-N -1 0 331.456 3.891 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001592491803 978284919 /nfs/dbraw/zinc/28/49/19/978284919.db2.gz MZGLVQZAJNYDMX-CQSZACIVSA-N -1 0 343.398 3.799 20 0 EHADRM C[C@@H](CCNC(=O)N1CCc2c(cccc2C(=O)[O-])C1)CC(C)(C)C ZINC001592513183 978344754 /nfs/dbraw/zinc/34/47/54/978344754.db2.gz OEGUPGRTZBDQHX-AWEZNQCLSA-N -1 0 346.471 3.915 20 0 EHADRM C[C@@H](CCOC(=O)C12CCC(C(=O)[O-])(CC1)C2)OCc1ccccc1 ZINC001592529990 978392049 /nfs/dbraw/zinc/39/20/49/978392049.db2.gz XDENKSAZAIIEGV-VMEOHVCESA-N -1 0 346.423 3.560 20 0 EHADRM C[C@@H](CCOc1ccccc1)C(=O)OC1CCC(CC(=O)[O-])CC1 ZINC001592537462 978412725 /nfs/dbraw/zinc/41/27/25/978412725.db2.gz NEGNMJQREMXVGU-UQPPLGOBSA-N -1 0 334.412 3.668 20 0 EHADRM COC(=O)c1ccc2nc(SCc3cc(C(=O)[O-])oc3C)oc2c1 ZINC000737710527 978436436 /nfs/dbraw/zinc/43/64/36/978436436.db2.gz ZUQKVULZJOMQNL-UHFFFAOYSA-N -1 0 347.348 3.506 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000738841386 978604345 /nfs/dbraw/zinc/60/43/45/978604345.db2.gz RGSAYONTOQKTPA-UHFFFAOYSA-N -1 0 336.388 3.839 20 0 EHADRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1cccc2ccncc21 ZINC000547631781 1014507424 /nfs/dbraw/zinc/50/74/24/1014507424.db2.gz RHUAZXHBHXDNBT-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)CCCC(=O)[O-] ZINC000753976065 978696089 /nfs/dbraw/zinc/69/60/89/978696089.db2.gz LCOCQKFREUSGAU-LLVKDONJSA-N -1 0 332.425 3.551 20 0 EHADRM CC[C@@H](C)n1ncc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1C1CC1 ZINC000761748077 978715343 /nfs/dbraw/zinc/71/53/43/978715343.db2.gz JWUCQXWDUPBAIU-SNVBAGLBSA-N -1 0 345.374 3.821 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C1CCC(F)(F)CC1)c1cccc(Cl)c1 ZINC000761900747 978715841 /nfs/dbraw/zinc/71/58/41/978715841.db2.gz ZXDQWOYFWUTCFP-CYBMUJFWSA-N -1 0 345.773 3.798 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000762221164 978718878 /nfs/dbraw/zinc/71/88/78/978718878.db2.gz LETSMCPXNDHNEI-KZULUSFZSA-N -1 0 333.359 3.644 20 0 EHADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)/C=C\C1CCCCC1 ZINC000762239775 978719636 /nfs/dbraw/zinc/71/96/36/978719636.db2.gz XNIAJDDEIOTMKE-FWFZHJKVSA-N -1 0 329.440 3.715 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)/C=C\c1ccccc1F)C(=O)[O-] ZINC000766899026 978728900 /nfs/dbraw/zinc/72/89/00/978728900.db2.gz OLFICTFPAZZKPW-SSCKCOOKSA-N -1 0 341.382 3.588 20 0 EHADRM O=C([O-])c1cn(CC(=O)NC2(c3ccccc3)CCC2)c2ccccc12 ZINC000819053339 978923947 /nfs/dbraw/zinc/92/39/47/978923947.db2.gz PGYZQOKYKXJEKB-UHFFFAOYSA-N -1 0 348.402 3.535 20 0 EHADRM CC(C)Oc1ccccc1CC(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000827063222 978952466 /nfs/dbraw/zinc/95/24/66/978952466.db2.gz XERCQZIJMMXGMD-GOSISDBHSA-N -1 0 346.354 3.525 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)N1CC2(CCC2)c2ccccc21 ZINC000828514265 978984865 /nfs/dbraw/zinc/98/48/65/978984865.db2.gz IGQYEERUEGYAKR-UHFFFAOYSA-N -1 0 335.403 3.786 20 0 EHADRM CCCCS[C@H](C)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000829430631 978998723 /nfs/dbraw/zinc/99/87/23/978998723.db2.gz IFCLGYNSTBMCIX-HIFRSBDPSA-N -1 0 337.485 3.877 20 0 EHADRM Cc1nc(CC(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])c(C)s1 ZINC000832999344 979066623 /nfs/dbraw/zinc/06/66/23/979066623.db2.gz UQSUYOHPCFIQKT-UHFFFAOYSA-N -1 0 332.425 3.763 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)c1C1CC1 ZINC001595027373 979142526 /nfs/dbraw/zinc/14/25/26/979142526.db2.gz TYUUBYJTUOPLFW-VIFPVBQESA-N -1 0 344.415 3.627 20 0 EHADRM CC[C@H](CC(C)C)C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001595035551 979186463 /nfs/dbraw/zinc/18/64/63/979186463.db2.gz HVGVFQOWDZBELO-CHWSQXEVSA-N -1 0 338.473 3.886 20 0 EHADRM CC[C@@H](CC(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2)C(C)(C)C ZINC001595036394 979195333 /nfs/dbraw/zinc/19/53/33/979195333.db2.gz DDXIIFXAYXESSY-MNOVXSKESA-N -1 0 338.473 3.734 20 0 EHADRM COc1ccc(C)cc1N[C@@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000833730762 979233360 /nfs/dbraw/zinc/23/33/60/979233360.db2.gz CVKBOCJWMVJAFU-ZDUSSCGKSA-N -1 0 342.395 3.531 20 0 EHADRM Cc1ccc(C(=O)OCC(=O)c2cccc(C(=O)[O-])c2)c(Cl)c1C ZINC000833747980 979235834 /nfs/dbraw/zinc/23/58/34/979235834.db2.gz QKYWFEKGZICKEA-UHFFFAOYSA-N -1 0 346.766 3.695 20 0 EHADRM CC[C@H](CC(F)F)C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC001595042660 979237651 /nfs/dbraw/zinc/23/76/51/979237651.db2.gz QTBDLWSDAJRLEN-SKDRFNHKSA-N -1 0 333.762 3.653 20 0 EHADRM C[C@H](CNc1cc(C(F)(F)F)c(C(=O)[O-])cn1)Oc1ccccc1 ZINC001592730918 979252760 /nfs/dbraw/zinc/25/27/60/979252760.db2.gz ZUNTUKVHRPCVHQ-SNVBAGLBSA-N -1 0 340.301 3.678 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Cc1csc2cc(C)sc12 ZINC001595050901 979281470 /nfs/dbraw/zinc/28/14/70/979281470.db2.gz HVEOAJWRKCORMQ-UHFFFAOYSA-N -1 0 339.482 3.963 20 0 EHADRM O=C([O-])c1cccc(CNc2ccc(OC[C@H]3CCCO3)cc2)c1 ZINC000840994325 979291726 /nfs/dbraw/zinc/29/17/26/979291726.db2.gz IANLRYCUFASLHK-GOSISDBHSA-N -1 0 327.380 3.555 20 0 EHADRM CCC(CC)(CC)NC(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001595060376 979317498 /nfs/dbraw/zinc/31/74/98/979317498.db2.gz RCJBNZVJXQLSMS-UHFFFAOYSA-N -1 0 327.450 3.596 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cc(C(F)F)ccc1F)C(=O)[O-] ZINC001595070329 979337812 /nfs/dbraw/zinc/33/78/12/979337812.db2.gz IOBLQBKUXOBVIA-UHFFFAOYSA-N -1 0 332.322 3.776 20 0 EHADRM CC[C@@H](CNC(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C)C(=O)[O-] ZINC000844158404 979349634 /nfs/dbraw/zinc/34/96/34/979349634.db2.gz OGVOSKAAGGGAEE-HOCLYGCPSA-N -1 0 342.439 3.555 20 0 EHADRM C[C@](COC(=O)c1cccc(C(F)F)c1)(C(=O)[O-])c1ccccc1 ZINC001592771115 979385513 /nfs/dbraw/zinc/38/55/13/979385513.db2.gz AGSSMXVIWOCZAR-GOSISDBHSA-N -1 0 334.318 3.824 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000844245170 979390734 /nfs/dbraw/zinc/39/07/34/979390734.db2.gz IWCFKRBZKHKJCT-KGLIPLIRSA-N -1 0 331.412 3.745 20 0 EHADRM C[C@@H](COc1ccccc1)OC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001592783117 979421008 /nfs/dbraw/zinc/42/10/08/979421008.db2.gz PPTFESGRXUNKRX-NSHDSACASA-N -1 0 334.755 3.663 20 0 EHADRM COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000471119893 1014578527 /nfs/dbraw/zinc/57/85/27/1014578527.db2.gz ATTROGMVCVHHOG-UHFFFAOYSA-N -1 0 349.358 3.927 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)NCCc1ccc(C(=O)[O-])cc1OC ZINC001595125845 979511396 /nfs/dbraw/zinc/51/13/96/979511396.db2.gz MGNOOIWAOBSGLT-HNNXBMFYSA-N -1 0 347.455 3.659 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CCCC2(CC2)C1)c1cccc(Cl)c1 ZINC000851599727 979517650 /nfs/dbraw/zinc/51/76/50/979517650.db2.gz BGNXVPLZGHZUMP-HIFRSBDPSA-N -1 0 335.831 3.942 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CC=C(c2cccc(C)c2)CC1 ZINC000851603328 979525513 /nfs/dbraw/zinc/52/55/13/979525513.db2.gz OXYRWILMTGJPAA-UHFFFAOYSA-N -1 0 325.364 3.524 20 0 EHADRM CC1CC(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)(c2cccc(Cl)c2)C1 ZINC000851606613 979532130 /nfs/dbraw/zinc/53/21/30/979532130.db2.gz VFSMHLICFALLBJ-HCZHPHPMSA-N -1 0 349.858 3.577 20 0 EHADRM CC(C)c1ccccc1C(=O)N(C)c1ccc(OCC(=O)[O-])cc1 ZINC000851608038 979533812 /nfs/dbraw/zinc/53/38/12/979533812.db2.gz YEGDTIVUWQJQPS-UHFFFAOYSA-N -1 0 327.380 3.550 20 0 EHADRM C[C@@H](CSC(F)(F)F)C(=O)NC1(CCC(=O)[O-])CCCCC1 ZINC001592824838 979539068 /nfs/dbraw/zinc/53/90/68/979539068.db2.gz OSFXYTXKXQDIKU-JTQLQIEISA-N -1 0 341.395 3.559 20 0 EHADRM CC(C)c1ccc(C[C@H](C)NC(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC001592834844 979580278 /nfs/dbraw/zinc/58/02/78/979580278.db2.gz YKFSWCUUCFEQSV-LBPRGKRZSA-N -1 0 331.437 3.931 20 0 EHADRM C[C@@](Cc1ccc(Cl)cc1)(NC(=O)C1CCC=CCC1)C(=O)[O-] ZINC001592837808 979583334 /nfs/dbraw/zinc/58/33/34/979583334.db2.gz DNEZPNWSTDLBKI-SFHVURJKSA-N -1 0 335.831 3.588 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NCC(C)(C)CC(=O)[O-] ZINC001592838319 979586853 /nfs/dbraw/zinc/58/68/53/979586853.db2.gz BCNFXDGYSLVGLW-JTQLQIEISA-N -1 0 346.254 3.789 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]2c2ccccc2)c2ccccc21 ZINC000852953137 979588247 /nfs/dbraw/zinc/58/82/47/979588247.db2.gz DQJURVJKDVXFLZ-XLNTUCKNSA-N -1 0 349.430 4.000 20 0 EHADRM C[C@H](Cc1ccc(Cl)s1)OC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001592840256 979604047 /nfs/dbraw/zinc/60/40/47/979604047.db2.gz VEIFOZCXTLMMCN-VWYCJHECSA-N -1 0 330.833 3.767 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)c1cc2c(s1)CCC2 ZINC000856978374 979616937 /nfs/dbraw/zinc/61/69/37/979616937.db2.gz HJYCBAWSBWBSLL-GJZGRUSLSA-N -1 0 341.432 3.667 20 0 EHADRM CC[C@@](CNC(=O)Nc1cc(F)cc(F)c1)(C(=O)[O-])c1ccccc1 ZINC001595151888 979645370 /nfs/dbraw/zinc/64/53/70/979645370.db2.gz ANGRLTMPOBDMJD-SFHVURJKSA-N -1 0 348.349 3.519 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N(C)[C@H](C)c2ccco2)cc1)C(=O)[O-] ZINC001592858228 979671158 /nfs/dbraw/zinc/67/11/58/979671158.db2.gz GJSCYQXJNFBOOC-CHWSQXEVSA-N -1 0 330.384 3.768 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)[C@H](C)OC2CCCCC2)cc1)C(=O)[O-] ZINC001592859031 979679729 /nfs/dbraw/zinc/67/97/29/979679729.db2.gz XRLDAVWNDTWTHQ-KBPBESRZSA-N -1 0 333.428 3.626 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)CC[C@H]2CC2(Cl)Cl)cc1)C(=O)[O-] ZINC001592859795 979683849 /nfs/dbraw/zinc/68/38/49/979683849.db2.gz WPMHTEPVWDHXAB-JQWIXIFHSA-N -1 0 344.238 3.862 20 0 EHADRM C[C@@H]1CCN(C(=O)/C=C\c2cc(C(=O)[O-])co2)[C@@H](c2ccco2)C1 ZINC000864113209 979704992 /nfs/dbraw/zinc/70/49/92/979704992.db2.gz LWFFEQKBCWVKHI-XWNLZXIHSA-N -1 0 329.352 3.584 20 0 EHADRM CC[C@H](CNC(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C)C(=O)[O-] ZINC001595164483 979706539 /nfs/dbraw/zinc/70/65/39/979706539.db2.gz VVYVFJNSSZZVLI-CYBMUJFWSA-N -1 0 331.456 3.876 20 0 EHADRM CC(C)(CC(=O)Nc1ccccc1CC(=O)[O-])c1ccc(F)cc1 ZINC000864119882 979714800 /nfs/dbraw/zinc/71/48/00/979714800.db2.gz PNKQPYHOANYSER-UHFFFAOYSA-N -1 0 329.371 3.759 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2cc(F)cc(Cl)c2)cc1)C(=O)[O-] ZINC001592871942 979726425 /nfs/dbraw/zinc/72/64/25/979726425.db2.gz CJGCODOUBAFBQQ-SNVBAGLBSA-N -1 0 335.762 3.995 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)cc1C(=O)[O-] ZINC000864138101 979741115 /nfs/dbraw/zinc/74/11/15/979741115.db2.gz VWZUGQPJBJQVLB-HNNXBMFYSA-N -1 0 341.382 3.537 20 0 EHADRM CC[C@H](C)CCCCC(=O)[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000784921846 1014598840 /nfs/dbraw/zinc/59/88/40/1014598840.db2.gz SFKYYECETSTNKW-NSHDSACASA-N -1 0 331.503 3.776 20 0 EHADRM CC[C@@H](CNc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001595173109 979750405 /nfs/dbraw/zinc/75/04/05/979750405.db2.gz ZZUKKWLAHLWVOM-LBPRGKRZSA-N -1 0 345.374 3.536 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC001592885819 979771668 /nfs/dbraw/zinc/77/16/68/979771668.db2.gz TXHJGRUCNPQOFG-SUMWQHHRSA-N -1 0 335.419 3.544 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001592889862 979774444 /nfs/dbraw/zinc/77/44/44/979774444.db2.gz BSZDOYZDSMFYTD-JTQLQIEISA-N -1 0 335.762 3.995 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)NC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001592890335 979776766 /nfs/dbraw/zinc/77/67/66/979776766.db2.gz GJMFJGZUSKVXEP-LBPRGKRZSA-N -1 0 346.814 3.720 20 0 EHADRM C[C@@H](Cc1ccccc1)n1cccc1C(=O)NC(C)(C)CCC(=O)[O-] ZINC001592891600 979784523 /nfs/dbraw/zinc/78/45/23/979784523.db2.gz NVJIRHRRTBMWQF-HNNXBMFYSA-N -1 0 342.439 3.665 20 0 EHADRM O=C([O-])C1=CC[C@H](NC(=O)Cc2ccc(C3CCCCC3)cc2)C1 ZINC000864169371 979796111 /nfs/dbraw/zinc/79/61/11/979796111.db2.gz TVRKAIRAIVKAOP-SFHVURJKSA-N -1 0 327.424 3.566 20 0 EHADRM CC[C@@H](COC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC001595182628 979807925 /nfs/dbraw/zinc/80/79/25/979807925.db2.gz IXEKNDPHMWBSPH-VIFPVBQESA-N -1 0 339.800 3.731 20 0 EHADRM CCC[C@H](C(=O)N[C@@](C)(CC(=O)[O-])C1CC1)c1cccc(Cl)c1 ZINC000864201144 979877856 /nfs/dbraw/zinc/87/78/56/979877856.db2.gz NUCUHRPOPFGFOK-YJBOKZPZSA-N -1 0 337.847 3.983 20 0 EHADRM C/C(Cl)=C\C(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC001592913050 979884063 /nfs/dbraw/zinc/88/40/63/979884063.db2.gz SMQADSNJBMFKNV-DHZHZOJOSA-N -1 0 346.814 3.715 20 0 EHADRM Cn1ncc(C2CCC2)c1C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC000864224914 979909697 /nfs/dbraw/zinc/90/96/97/979909697.db2.gz KLWHYTUBSLTUPF-UHFFFAOYSA-N -1 0 349.390 3.791 20 0 EHADRM CC[C@@H](CSc1ccccc1)NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001595203704 979967463 /nfs/dbraw/zinc/96/74/63/979967463.db2.gz SFPRBRPZGUHRJR-STRFDMGBSA-N -1 0 345.420 3.678 20 0 EHADRM COc1ccc([C@@H](NCc2cnc(C3CCCC3)s2)C(=O)[O-])cc1 ZINC000871883313 979983079 /nfs/dbraw/zinc/98/30/79/979983079.db2.gz JGIPKAVSQAOPGV-MRXNPFEDSA-N -1 0 346.452 3.725 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC001595210879 979985927 /nfs/dbraw/zinc/98/59/27/979985927.db2.gz KIAMOYCCZBKFOQ-MBOZVWFJSA-N -1 0 331.456 3.713 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N[C@@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC001595211793 979995054 /nfs/dbraw/zinc/99/50/54/979995054.db2.gz VOHRYKTWYXCMHD-IEBWSBKVSA-N -1 0 339.435 3.814 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000584301692 1032098415 /nfs/dbraw/zinc/09/84/15/1032098415.db2.gz AWOFDBWNMXYPAB-SECBINFHSA-N -1 0 332.227 3.846 20 0 EHADRM CC[C@@H](NC(=O)/C=C\c1cc(C(=O)[O-])co1)C(C)(C)c1ccccc1 ZINC001595237491 980146136 /nfs/dbraw/zinc/14/61/36/980146136.db2.gz JMSWYCSFXPFQMT-QXPKXGMISA-N -1 0 341.407 3.864 20 0 EHADRM CC[C@@](NC(=O)CCc1ccc(C)cc1C)(C(=O)[O-])c1ccccc1 ZINC001595241580 980160596 /nfs/dbraw/zinc/16/05/96/980160596.db2.gz MEPGAYQRBFJVLV-NRFANRHFSA-N -1 0 339.435 3.742 20 0 EHADRM CC[C@@H](NC(=O)CNc1ccccc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001595242406 980164125 /nfs/dbraw/zinc/16/41/25/980164125.db2.gz DIUAPPLKTNGYAM-OAHLLOKOSA-N -1 0 346.814 3.718 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)C[C@@H]2CCC3(CCC3)CO2)cc1 ZINC000887325229 980216235 /nfs/dbraw/zinc/21/62/35/980216235.db2.gz JVQDYOZGZRHCTI-BBRMVZONSA-N -1 0 331.412 3.553 20 0 EHADRM CC[C@@H](NC(=O)Nc1cc(C(=O)[O-])cc2cccnc21)[C@@H]1CC1(C)C ZINC001595252617 980222340 /nfs/dbraw/zinc/22/23/40/980222340.db2.gz MVEHJQCBQHSDNQ-UONOGXRCSA-N -1 0 341.411 3.879 20 0 EHADRM O=C([O-])C1(CCCC[NH2+]Cc2c([O-])ccc(Cl)c2F)CCC1 ZINC000900081046 980248979 /nfs/dbraw/zinc/24/89/79/980248979.db2.gz TVFOSCSURHGJOJ-UHFFFAOYSA-N -1 0 329.799 3.700 20 0 EHADRM CCOC[C@@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2C(F)(F)F)C1 ZINC000901431480 980280088 /nfs/dbraw/zinc/28/00/88/980280088.db2.gz ODTYARQTUQQODP-GFCCVEGCSA-N -1 0 345.361 3.652 20 0 EHADRM CC[C@@](NC(=O)c1ccc(F)c2occc21)(C(=O)[O-])c1ccccc1 ZINC001595269007 980282333 /nfs/dbraw/zinc/28/23/33/980282333.db2.gz DPGPOCUUMFYGLZ-IBGZPJMESA-N -1 0 341.338 3.692 20 0 EHADRM CC[C@@](NC(=O)c1ccc(Cl)c(C)c1)(C(=O)[O-])c1ccccc1 ZINC001595269255 980284297 /nfs/dbraw/zinc/28/42/97/980284297.db2.gz WADDGTZZEBCGKJ-SFHVURJKSA-N -1 0 331.799 3.768 20 0 EHADRM C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000901441541 980290236 /nfs/dbraw/zinc/29/02/36/980290236.db2.gz JWCMBRCXCJFZIB-OGTLFHJWSA-N -1 0 343.876 3.520 20 0 EHADRM CCc1oc(CN2CCC[C@@H]2c2ccc(COC)o2)cc1C(=O)[O-] ZINC000901449031 980293009 /nfs/dbraw/zinc/29/30/09/980293009.db2.gz LPUSJXUVCNQSMX-OAHLLOKOSA-N -1 0 333.384 3.617 20 0 EHADRM C[C@H](NC(=O)Cc1ccc(C(=O)[O-])cc1)c1ccc(Cl)c(F)c1 ZINC001593039696 980318866 /nfs/dbraw/zinc/31/88/66/980318866.db2.gz DKRDWDHPNSJIMH-JTQLQIEISA-N -1 0 335.762 3.597 20 0 EHADRM O=C([O-])[C@]1(F)CCN(Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000901514298 980331368 /nfs/dbraw/zinc/33/13/68/980331368.db2.gz FMDXKDSAPOJHIU-KRWDZBQOSA-N -1 0 346.383 3.555 20 0 EHADRM CC(C)(C(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccc(F)cc1F ZINC000901561748 980383062 /nfs/dbraw/zinc/38/30/62/980383062.db2.gz XRYZTWPZOLUGLE-UHFFFAOYSA-N -1 0 347.361 3.898 20 0 EHADRM CC[C@@H](NCc1nc2cc(C(=O)[O-])ccc2[nH]1)c1ccc(F)cc1F ZINC001595304880 980441321 /nfs/dbraw/zinc/44/13/21/980441321.db2.gz ATPNKZHOFMSQET-CQSZACIVSA-N -1 0 345.349 3.780 20 0 EHADRM CC1(C)C[C@@H](Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)CCO1 ZINC000901777486 980508448 /nfs/dbraw/zinc/50/84/48/980508448.db2.gz SIRNUPIINPVWDO-HNNXBMFYSA-N -1 0 332.444 3.745 20 0 EHADRM CC[C@H](Nc1cnn(CC(C)C)c1C(F)F)C1(C(=O)[O-])CCC1 ZINC001595322894 980517301 /nfs/dbraw/zinc/51/73/01/980517301.db2.gz NDWKIBGRVLOOLY-LBPRGKRZSA-N -1 0 329.391 3.922 20 0 EHADRM COC[C@@H](C)Oc1ccc(CNc2cccc([C@H](C)C(=O)[O-])c2)cc1 ZINC000901817136 980537463 /nfs/dbraw/zinc/53/74/63/980537463.db2.gz YKDIHFQSLFYBDG-CABCVRRESA-N -1 0 343.423 3.901 20 0 EHADRM CC[C@](NCc1cc(C2CC2)no1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000901872862 980586277 /nfs/dbraw/zinc/58/62/77/980586277.db2.gz MXGOTRQADQSWGF-QGZVFWFLSA-N -1 0 334.803 3.685 20 0 EHADRM C[C@H](NCc1ccc2c(c1)CCC(C)(C)O2)c1ncc(C(=O)[O-])s1 ZINC000901909151 980622932 /nfs/dbraw/zinc/62/29/32/980622932.db2.gz BSVNZVNZUJYTEE-NSHDSACASA-N -1 0 346.452 3.796 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)Nc1cccc(N2CCCCC2)c1 ZINC000901919085 980627170 /nfs/dbraw/zinc/62/71/70/980627170.db2.gz MHHVAJBODDEKTC-UHFFFAOYSA-N -1 0 338.407 3.556 20 0 EHADRM CC[C@@H](OC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)c1ccc(C(C)(C)C)cc1 ZINC001595346056 980634493 /nfs/dbraw/zinc/63/44/93/980634493.db2.gz WBFUPXGMKXOVEJ-BASLNEPJSA-N -1 0 348.439 3.857 20 0 EHADRM CC[C@@H](OC(=O)c1ccc(/C=C/C(=O)[O-])o1)c1ccc(OC)cc1 ZINC001595348235 980645218 /nfs/dbraw/zinc/64/52/18/980645218.db2.gz JIQIZLPUHHQTGW-SLZMIMFISA-N -1 0 330.336 3.694 20 0 EHADRM CC[C@@H](OC(=O)c1ccccc1SCc1c(C)noc1C)C(=O)[O-] ZINC001595352643 980671958 /nfs/dbraw/zinc/67/19/58/980671958.db2.gz DFXRQEFNEYNMOH-CQSZACIVSA-N -1 0 349.408 3.604 20 0 EHADRM C[C@H](Nc1cccc(NC(=O)c2cccs2)c1)[C@H]1C[C@@H]1C(=O)[O-] ZINC000902092602 980729096 /nfs/dbraw/zinc/72/90/96/980729096.db2.gz XJGYWOPQAZJIEV-GDLCADMTSA-N -1 0 330.409 3.522 20 0 EHADRM O=C([O-])c1csc(CNc2ccc(C(=O)NC3CCCC3)cc2)c1 ZINC000902104475 980735756 /nfs/dbraw/zinc/73/57/56/980735756.db2.gz COPHGFQYZVWZLW-UHFFFAOYSA-N -1 0 344.436 3.731 20 0 EHADRM COc1ccc(OC(F)F)c(N[C@@H]2CC[C@H](CC(=O)[O-])[C@H]2C)c1 ZINC000902104682 980736686 /nfs/dbraw/zinc/73/66/86/980736686.db2.gz CLGZFCDRCSKLQT-CKYFFXLPSA-N -1 0 329.343 3.598 20 0 EHADRM CC[C@H](SC)C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001595358942 980736938 /nfs/dbraw/zinc/73/69/38/980736938.db2.gz VLMIZQWRPHOLPC-WDEREUQCSA-N -1 0 337.224 3.804 20 0 EHADRM CC(C)[C@H](NCc1ccc(/C=C/C(=O)[O-])o1)c1nc2ccccc2[nH]1 ZINC000902141343 980753536 /nfs/dbraw/zinc/75/35/36/980753536.db2.gz ZTYCDPOLHBOBIB-BBVFFXRHSA-N -1 0 339.395 3.741 20 0 EHADRM CC[C@]1(C)Oc2ccc(NC(=O)c3ccsc3C(=O)[O-])cc2O1 ZINC001595372304 980861141 /nfs/dbraw/zinc/86/11/41/980861141.db2.gz DJIQKFMIIXNYBK-MRXNPFEDSA-N -1 0 333.365 3.596 20 0 EHADRM CC[C@@]1(C)Oc2ccc(NC(=O)c3ccc(C(=O)[O-])c(F)c3)cc2O1 ZINC001595372463 980862486 /nfs/dbraw/zinc/86/24/86/980862486.db2.gz JGKMCBJGINCRQE-SFHVURJKSA-N -1 0 345.326 3.674 20 0 EHADRM C[C@H](Nc1ccc(F)cc1OCCC(F)(F)F)[C@H]1C[C@H]1C(=O)[O-] ZINC000902392393 980867543 /nfs/dbraw/zinc/86/75/43/980867543.db2.gz GJQLPVBKIAARQT-JMJZKYOTSA-N -1 0 335.297 3.678 20 0 EHADRM CCC1(CC)CCCN(C(=O)Nc2cc(COC)cc(C(=O)[O-])c2)C1 ZINC001595374547 980885269 /nfs/dbraw/zinc/88/52/69/980885269.db2.gz HCKAQFVZUPGYMV-UHFFFAOYSA-N -1 0 348.443 3.965 20 0 EHADRM C[C@H]1[C@H](Nc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)CC[C@H]1CC(=O)[O-] ZINC000902454355 980894581 /nfs/dbraw/zinc/89/45/81/980894581.db2.gz FCQCZMPSGNEQPX-WKBVASEUSA-N -1 0 347.455 3.670 20 0 EHADRM CC[C@]1(CCc2ccccc2)CCCN1c1ccnc(C(=O)[O-])n1 ZINC001595376927 980909614 /nfs/dbraw/zinc/90/96/14/980909614.db2.gz RXARUBJMXQSXBS-LJQANCHMSA-N -1 0 325.412 3.557 20 0 EHADRM CCc1oc(CN[C@@H]2CCCOc3c(OC)cccc32)cc1C(=O)[O-] ZINC000902504449 980912790 /nfs/dbraw/zinc/91/27/90/980912790.db2.gz CILWDZRHEGQHRB-OAHLLOKOSA-N -1 0 345.395 3.552 20 0 EHADRM CCC1(NC(=O)Nc2cccc3cc(C(=O)[O-])sc32)CCOCC1 ZINC001595390395 980946523 /nfs/dbraw/zinc/94/65/23/980946523.db2.gz GHCIELIWDJPWIC-UHFFFAOYSA-N -1 0 348.424 3.680 20 0 EHADRM CCC1(NS(=O)(=O)c2ccc(C(=O)[O-])c3ccccc32)CCCC1 ZINC001595391977 980949930 /nfs/dbraw/zinc/94/99/30/980949930.db2.gz LXTPBYSEFQDPFQ-UHFFFAOYSA-N -1 0 347.436 3.539 20 0 EHADRM CC[C@@H]1CC[C@H](C)N1C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001595416808 981033764 /nfs/dbraw/zinc/03/37/64/981033764.db2.gz ZIRRCOXWMJGYLC-GXTWGEPZSA-N -1 0 334.416 3.967 20 0 EHADRM CCC1CCC(NC(=O)C[C@@H]2C[C@H]2Cc2ccccc2)(C(=O)[O-])CC1 ZINC001595422053 981041204 /nfs/dbraw/zinc/04/12/04/981041204.db2.gz JWZNOJXIGALKOB-CANSVUIHSA-N -1 0 343.467 3.795 20 0 EHADRM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2sccc2OC)c1 ZINC000471135087 1014702590 /nfs/dbraw/zinc/70/25/90/1014702590.db2.gz ZGEGDMCTRZCLHK-NSHDSACASA-N -1 0 341.454 3.735 20 0 EHADRM CC[C@H]1CCC[C@@H]1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001595435023 981062081 /nfs/dbraw/zinc/06/20/81/981062081.db2.gz DZFUDASBJYQEOI-ZFWWWQNUSA-N -1 0 330.428 3.750 20 0 EHADRM CC[C@@H]1CCC[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC001595435175 981063127 /nfs/dbraw/zinc/06/31/27/981063127.db2.gz HJAUPQRDUYOIEJ-WQVCFCJDSA-N -1 0 335.469 3.867 20 0 EHADRM CC[C@H]1CCC[C@H]1C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC001595435396 981064255 /nfs/dbraw/zinc/06/42/55/981064255.db2.gz JJFLWLXGVQNKOE-GXSJLCMTSA-N -1 0 333.413 3.601 20 0 EHADRM CC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001595435411 981064441 /nfs/dbraw/zinc/06/44/41/981064441.db2.gz JMGODTBADYAMPZ-JQWIXIFHSA-N -1 0 341.354 3.794 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1C(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)[O-] ZINC001595442311 981082402 /nfs/dbraw/zinc/08/24/02/981082402.db2.gz YRDJOHHAFWYSRX-KURKYZTESA-N -1 0 331.456 3.571 20 0 EHADRM CSc1ccc(NC(=O)[C@@H]2CCOC3(CCCC3)C2)cc1C(=O)[O-] ZINC000905044015 981086699 /nfs/dbraw/zinc/08/66/99/981086699.db2.gz OAPVAUFDDGGRDT-GFCCVEGCSA-N -1 0 349.452 3.785 20 0 EHADRM CC[C@@H]1CCCC[C@H]1OCCOC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001595447667 981095852 /nfs/dbraw/zinc/09/58/52/981095852.db2.gz IPUMETFCIOUMKU-QAQJPARQSA-N -1 0 338.444 3.550 20 0 EHADRM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001595448061 981096974 /nfs/dbraw/zinc/09/69/74/981096974.db2.gz LHBIUYRDCVNCKZ-CHWSQXEVSA-N -1 0 339.457 3.987 20 0 EHADRM Cc1cc([C@@H](NCc2cc(C(F)(F)F)co2)C(=O)[O-])ccc1F ZINC000905384706 981104618 /nfs/dbraw/zinc/10/46/18/981104618.db2.gz OOTLRXXSHPUXHY-CYBMUJFWSA-N -1 0 331.265 3.661 20 0 EHADRM CSCc1cccc(NC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)c1 ZINC000907569296 981193577 /nfs/dbraw/zinc/19/35/77/981193577.db2.gz OTSFRUIUZLZAOK-QFBILLFUSA-N -1 0 341.432 3.747 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2cc(C3CC3)oc2C2CC2)cc1 ZINC000907629187 981202130 /nfs/dbraw/zinc/20/21/30/981202130.db2.gz OUGGLRAJDKTEHM-UHFFFAOYSA-N -1 0 341.363 3.750 20 0 EHADRM CC1=C(C)C[C@](C)(C(=O)N(C)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC000907676811 981206375 /nfs/dbraw/zinc/20/63/75/981206375.db2.gz UDOCBEAHUXOOKO-LJQANCHMSA-N -1 0 331.412 3.639 20 0 EHADRM COC1(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CCCCCC1 ZINC000907740624 981213597 /nfs/dbraw/zinc/21/35/97/981213597.db2.gz AMLQDSPZIPIYPI-JKSUJKDBSA-N -1 0 331.412 3.553 20 0 EHADRM CC[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C[C@@H](CC)O1 ZINC001595484115 981216961 /nfs/dbraw/zinc/21/69/61/981216961.db2.gz NSSULSSFTQQRHZ-RBSFLKMASA-N -1 0 345.361 3.721 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)nc1C(=O)[O-] ZINC000907770535 981217763 /nfs/dbraw/zinc/21/77/63/981217763.db2.gz ICTJKNKYJKCTHK-FQUUOJAGSA-N -1 0 348.468 3.640 20 0 EHADRM CC[C@H]1CN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CCCO1 ZINC001595484528 981222808 /nfs/dbraw/zinc/22/28/08/981222808.db2.gz RTYVSYNFMXWYQJ-FZMZJTMJSA-N -1 0 332.227 3.620 20 0 EHADRM Cc1cc(C(=O)N[C@@H](c2ncccc2C)C(C)(C)C)oc1C(=O)[O-] ZINC000908119891 981266532 /nfs/dbraw/zinc/26/65/32/981266532.db2.gz MQTRGPMUTMOCDC-HNNXBMFYSA-N -1 0 330.384 3.507 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cn1 ZINC000908222632 981282981 /nfs/dbraw/zinc/28/29/81/981282981.db2.gz WBNBIBUYYGTVNJ-UHFFFAOYSA-N -1 0 330.428 3.743 20 0 EHADRM CC/C=C(/C)C(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC001595505489 981282983 /nfs/dbraw/zinc/28/29/83/981282983.db2.gz DRPRWYOFMGXNCB-PQMHYQBVSA-N -1 0 340.423 3.928 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C=C1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000908413808 981313666 /nfs/dbraw/zinc/31/36/66/981313666.db2.gz YCZLWTMGGIEFSR-AWEZNQCLSA-N -1 0 341.329 3.838 20 0 EHADRM Cc1ccccc1[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000908607238 981328671 /nfs/dbraw/zinc/32/86/71/981328671.db2.gz ZSUUCHZGGOILGC-DYVFJYSZSA-N -1 0 329.371 3.570 20 0 EHADRM CC(C)c1ccc2occ(C(=O)N3CCC(CC(=O)[O-])CC3)c2c1 ZINC000908681255 981338140 /nfs/dbraw/zinc/33/81/40/981338140.db2.gz IFHFUWQSRWJAPV-UHFFFAOYSA-N -1 0 329.396 3.883 20 0 EHADRM CC[C@H]1C[C@@H](CC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CCO1 ZINC000908685629 981339554 /nfs/dbraw/zinc/33/95/54/981339554.db2.gz GVDGCFCBLGMJSK-JQWIXIFHSA-N -1 0 325.792 3.572 20 0 EHADRM CCOc1cccc([C@H](C)NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC000908748298 981352475 /nfs/dbraw/zinc/35/24/75/981352475.db2.gz CYTQECYGGAXQCN-JAGHRAMZSA-N -1 0 345.439 3.688 20 0 EHADRM Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1ccoc1CC(=O)[O-] ZINC000908797806 981364650 /nfs/dbraw/zinc/36/46/50/981364650.db2.gz FIFKZUSUHQDFBD-MRXNPFEDSA-N -1 0 329.396 3.732 20 0 EHADRM CCC(CC)c1cc(CNC(=O)c2ccccc2CCC(=O)[O-])on1 ZINC000908824126 981368826 /nfs/dbraw/zinc/36/88/26/981368826.db2.gz CEFCGPWDUFLPBX-UHFFFAOYSA-N -1 0 344.411 3.525 20 0 EHADRM CCC[C@H](C(=O)N1CC[C@H](C)C[C@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC001595532436 981371894 /nfs/dbraw/zinc/37/18/94/981371894.db2.gz JNYUJXZGMVVHCQ-RCBQFDQVSA-N -1 0 337.847 3.935 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C[C@@H](c1ccc(O)cc1)C1CC1 ZINC000909082404 981414768 /nfs/dbraw/zinc/41/47/68/981414768.db2.gz ABWDTQYFTAROHO-QGZVFWFLSA-N -1 0 339.391 3.921 20 0 EHADRM CCC(C)(CC)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000909137565 981426111 /nfs/dbraw/zinc/42/61/11/981426111.db2.gz QXUOULUMCRZHDC-UHFFFAOYSA-N -1 0 328.412 3.577 20 0 EHADRM CCC[C@@](C)(NC(=O)c1ccc(Oc2cccc(C)c2)cn1)C(=O)[O-] ZINC001595553480 981429818 /nfs/dbraw/zinc/42/98/18/981429818.db2.gz LRALCKDHLBEWPT-LJQANCHMSA-N -1 0 342.395 3.556 20 0 EHADRM CSCC(C)(C)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000909225100 981437298 /nfs/dbraw/zinc/43/72/98/981437298.db2.gz ZGYQXSDOUSIOCH-UHFFFAOYSA-N -1 0 341.498 3.722 20 0 EHADRM Cc1cnc(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)c(C)c1 ZINC000909229549 981438549 /nfs/dbraw/zinc/43/85/49/981438549.db2.gz LNAJMZXLPSRRRP-UHFFFAOYSA-N -1 0 344.436 3.659 20 0 EHADRM CC(C)(C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)C1CCC(O)CC1 ZINC000909273207 981456721 /nfs/dbraw/zinc/45/67/21/981456721.db2.gz YCJCPFWMUGYGDG-UHFFFAOYSA-N -1 0 339.819 3.554 20 0 EHADRM CC(C)(C(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccc(F)cc1F ZINC000909284085 981458383 /nfs/dbraw/zinc/45/83/83/981458383.db2.gz FDMWPBWGBCIZMM-UHFFFAOYSA-N -1 0 347.361 3.898 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)CCC[C@@H](O)c2ccccc2)cc1 ZINC000909285575 981459141 /nfs/dbraw/zinc/45/91/41/981459141.db2.gz IBWKOISZPYPMNM-GOSISDBHSA-N -1 0 341.407 3.546 20 0 EHADRM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000909288363 981460502 /nfs/dbraw/zinc/46/05/02/981460502.db2.gz PKMUSIBWEYEKBI-NSHDSACASA-N -1 0 343.427 3.521 20 0 EHADRM CCSCc1ccccc1C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000909292806 981461577 /nfs/dbraw/zinc/46/15/77/981461577.db2.gz BWJFDGLMZFOQQG-QGZVFWFLSA-N -1 0 343.448 3.538 20 0 EHADRM CCC[C@@H](C)CC(=O)Oc1ccc(Br)cc1C(=O)[O-] ZINC001595571112 981478126 /nfs/dbraw/zinc/47/81/26/981478126.db2.gz MOWAALXXKVSSBC-SECBINFHSA-N -1 0 329.190 3.879 20 0 EHADRM CCC[C@H](C)C(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC001595571501 981479438 /nfs/dbraw/zinc/47/94/38/981479438.db2.gz JXTPOXVHCRAUDQ-NSHDSACASA-N -1 0 332.425 3.807 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3CCc4c(Cl)cccc4C3)(CC1)CC2 ZINC000909409429 981486984 /nfs/dbraw/zinc/48/69/84/981486984.db2.gz WTXVBVALBPWWHF-UHFFFAOYSA-N -1 0 347.842 3.650 20 0 EHADRM Cc1c(COc2ccccc2)cccc1NC(=O)[C@@H](C)CC(=O)[O-] ZINC000909411634 981487501 /nfs/dbraw/zinc/48/75/01/981487501.db2.gz CLQDCYAGBLTFCX-ZDUSSCGKSA-N -1 0 327.380 3.623 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3CCc4c3cccc4Cl)(CC1)CC2 ZINC000909411701 981487610 /nfs/dbraw/zinc/48/76/10/981487610.db2.gz PJXDWSDDAQKVLI-UHFFFAOYSA-N -1 0 333.815 3.654 20 0 EHADRM CCC[C@@H](CC(C)C)C(=O)N[C@](C)(Cc1ccc(F)cc1)C(=O)[O-] ZINC001595579878 981511783 /nfs/dbraw/zinc/51/17/83/981511783.db2.gz VHNLYIRWIQKIJJ-HNAYVOBHSA-N -1 0 337.435 3.790 20 0 EHADRM Cc1cccc(C)c1NCC(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000909512669 981519602 /nfs/dbraw/zinc/51/96/02/981519602.db2.gz HHSWGOMOAANEAA-UHFFFAOYSA-N -1 0 326.396 3.669 20 0 EHADRM CCC[C@@H](CC(C)C)C(=O)Nc1c(F)c(OC)ccc1C(=O)[O-] ZINC001595585714 981525786 /nfs/dbraw/zinc/52/57/86/981525786.db2.gz AOMPCXGIHGDMCQ-NSHDSACASA-N -1 0 325.380 3.933 20 0 EHADRM CS[C@@H](C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC000909520435 981527051 /nfs/dbraw/zinc/52/70/51/981527051.db2.gz QAVNMVBRIXDTIX-CXAGYDPISA-N -1 0 343.448 3.993 20 0 EHADRM Cc1cccc(C2=CCN(C(=O)c3ccccc3CCC(=O)[O-])CC2)c1 ZINC000909559699 981542163 /nfs/dbraw/zinc/54/21/63/981542163.db2.gz OOIHVLXOSJHIPK-UHFFFAOYSA-N -1 0 349.430 3.942 20 0 EHADRM CCC[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001595591906 981548877 /nfs/dbraw/zinc/54/88/77/981548877.db2.gz PJQXCRHBSNMLDP-OKZBNKHCSA-N -1 0 331.456 3.795 20 0 EHADRM CCCC1(CNC(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)CC1 ZINC001595616859 981646705 /nfs/dbraw/zinc/64/67/05/981646705.db2.gz GORGSVLWBLHHRZ-UHFFFAOYSA-N -1 0 328.771 3.879 20 0 EHADRM Cc1cc(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)nn1[C@H](C)C1CC1 ZINC000909831540 981648773 /nfs/dbraw/zinc/64/87/73/981648773.db2.gz OFAGDMGPAHSQIU-QWHCGFSZSA-N -1 0 341.411 3.603 20 0 EHADRM CCCC1(CCC)CCCN1C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001595617332 981652074 /nfs/dbraw/zinc/65/20/74/981652074.db2.gz JBPOIOXHYHKSQV-UHFFFAOYSA-N -1 0 333.428 3.725 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1cc(Br)c2ccccc2c1 ZINC001594758326 981684137 /nfs/dbraw/zinc/68/41/37/981684137.db2.gz YNQHIYGGCRDREX-LLVKDONJSA-N -1 0 336.185 3.652 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)Nc1ccc(OCc2cccc(C)c2)cc1C ZINC001594759643 981689009 /nfs/dbraw/zinc/68/90/09/981689009.db2.gz PWLZLTGKLYBXCB-KRWDZBQOSA-N -1 0 341.407 3.932 20 0 EHADRM CCC[C@@H]1C[C@H](C(=O)Oc2cc(Cl)ccc2C(=O)[O-])CCO1 ZINC001595620426 981689182 /nfs/dbraw/zinc/68/91/82/981689182.db2.gz HRTFPKQSQJSBFU-ZYHUDNBSSA-N -1 0 326.776 3.539 20 0 EHADRM CCC[C@@H]1C[C@@H](C(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)CCO1 ZINC001595620543 981690730 /nfs/dbraw/zinc/69/07/30/981690730.db2.gz LJYWMLRKDBOSAK-WDEREUQCSA-N -1 0 326.776 3.539 20 0 EHADRM CCC[C@H]1CCCC[C@@H]1CNC(=O)NCCc1ccccc1C(=O)[O-] ZINC001595621559 981700889 /nfs/dbraw/zinc/70/08/89/981700889.db2.gz KWCKYUSTYDAMMP-DOTOQJQBSA-N -1 0 346.471 3.833 20 0 EHADRM CC(C)Nc1ccc(Cl)cc1NC(=O)c1ccoc1CC(=O)[O-] ZINC000909935664 981705014 /nfs/dbraw/zinc/70/50/14/981705014.db2.gz LRWSWJNRVXVVCY-UHFFFAOYSA-N -1 0 336.775 3.633 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@@H](C)OC1CCCCC1)c1ccccc1 ZINC001594764181 981705357 /nfs/dbraw/zinc/70/53/57/981705357.db2.gz JRFIAXJVVIKYOR-PBHICJAKSA-N -1 0 333.428 3.621 20 0 EHADRM CCC[C@H]1CCCCN1C(=O)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC001595622305 981708834 /nfs/dbraw/zinc/70/88/34/981708834.db2.gz NBWQSRFCAVVGJH-INIZCTEOSA-N -1 0 334.416 3.718 20 0 EHADRM CCC[C@@H]1CCCN1C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001595622752 981713353 /nfs/dbraw/zinc/71/33/53/981713353.db2.gz XDFFRWOYKXIIQS-HZPDHXFCSA-N -1 0 332.444 3.813 20 0 EHADRM CCC[C@H]1CCC[C@H]1C(=O)Nc1nc2nc(C)cc(C(=O)[O-])c2s1 ZINC001595622960 981715659 /nfs/dbraw/zinc/71/56/59/981715659.db2.gz YISHQCHZNUNBIF-WDEREUQCSA-N -1 0 347.440 3.853 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@@H]1C[C@H]1c1ccsc1)c1ccccc1 ZINC001594767873 981726344 /nfs/dbraw/zinc/72/63/44/981726344.db2.gz JXLJPGXPKSNEJC-XHSDSOJGSA-N -1 0 329.421 3.748 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1cc(F)ccc1Cl)c1ccccc1 ZINC001594767936 981727328 /nfs/dbraw/zinc/72/73/28/981727328.db2.gz MSCOZCJNYRLQNS-HNNXBMFYSA-N -1 0 335.762 3.989 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1coc(C3CCCCC3)n1)C2 ZINC000910039963 981739398 /nfs/dbraw/zinc/73/93/98/981739398.db2.gz JRWMWDKHCFPAAD-UHFFFAOYSA-N -1 0 340.379 3.577 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1cccc2ccncc21)c1ccccc1 ZINC001594770623 981741227 /nfs/dbraw/zinc/74/12/27/981741227.db2.gz KVINKDGYSIXPSG-GOSISDBHSA-N -1 0 334.375 3.745 20 0 EHADRM CSCCCC(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC000910087543 981755615 /nfs/dbraw/zinc/75/56/15/981755615.db2.gz PSBMZKZZVJDOQP-UHFFFAOYSA-N -1 0 346.246 3.537 20 0 EHADRM CC[C@@H](C(=O)O[C@@H](C(=O)[O-])c1ccccc1F)c1ccc(F)cc1 ZINC001594775810 981761984 /nfs/dbraw/zinc/76/19/84/981761984.db2.gz WPZPNMXTVSGZBQ-CZUORRHYSA-N -1 0 334.318 3.828 20 0 EHADRM CCCC[C@H](C(=O)N[C@H](C)[C@H](Cc1ccccc1)C(=O)[O-])C(C)C ZINC001595627483 981772825 /nfs/dbraw/zinc/77/28/25/981772825.db2.gz HPCCJJQHFBFJEV-NJAFHUGGSA-N -1 0 333.472 3.897 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)/C(C)=C/c1ccc(F)cc1 ZINC001594778136 981772884 /nfs/dbraw/zinc/77/28/84/981772884.db2.gz IRQKTJZGKPAPOT-BPOBUFBUSA-N -1 0 333.403 3.721 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC001594782380 981789664 /nfs/dbraw/zinc/78/96/64/981789664.db2.gz OKPSZLPJCSTVGV-ABSDTBQOSA-N -1 0 347.430 3.811 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)o2)[C@@H]2CCC[C@H]21 ZINC000910238816 981804761 /nfs/dbraw/zinc/80/47/61/981804761.db2.gz GWFLJLBCJPTFHQ-ARFHVFGLSA-N -1 0 339.391 3.662 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)c(Cl)c1C ZINC000910239334 981806201 /nfs/dbraw/zinc/80/62/01/981806201.db2.gz JYOMSRJHWZLUJE-KCQAQPDRSA-N -1 0 335.831 3.672 20 0 EHADRM Cc1cc(C)c2c(c1)CN(C(=O)C13CCC(C(=O)[O-])(CC1)CC3)CC2 ZINC000910251315 981824797 /nfs/dbraw/zinc/82/47/97/981824797.db2.gz IRCHOGWTYTVVHS-UHFFFAOYSA-N -1 0 341.451 3.613 20 0 EHADRM C/C(=C\C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C)C1CC1 ZINC000910256209 981832709 /nfs/dbraw/zinc/83/27/09/981832709.db2.gz VDTGRBQKDLWMJN-SOFGYWHQSA-N -1 0 338.201 3.751 20 0 EHADRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)C[C@H](C)C1CC1 ZINC000910256247 981834336 /nfs/dbraw/zinc/83/43/36/981834336.db2.gz WBURNMRWIKINMM-QMMMGPOBSA-N -1 0 340.217 3.830 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(F)c2occc21 ZINC001594789527 981840133 /nfs/dbraw/zinc/84/01/33/981840133.db2.gz BJKFKLIWILXLRA-SFHVURJKSA-N -1 0 333.359 3.677 20 0 EHADRM CSc1cc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c(C)o1 ZINC000910296739 981849725 /nfs/dbraw/zinc/84/97/25/981849725.db2.gz PGWGEMOQQPMWGD-UONOGXRCSA-N -1 0 331.393 3.750 20 0 EHADRM CCCC[C@@H](CC)CC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001595632530 981856745 /nfs/dbraw/zinc/85/67/45/981856745.db2.gz IDLZYLVRZQOYQS-GFCCVEGCSA-N -1 0 335.400 3.716 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cc(F)c(F)cc1Cl ZINC001594793557 981865486 /nfs/dbraw/zinc/86/54/86/981865486.db2.gz UQODHJYDNOMIOE-MRXNPFEDSA-N -1 0 345.773 3.724 20 0 EHADRM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)NCCSCC(=O)[O-])CC1 ZINC001594796563 981877365 /nfs/dbraw/zinc/87/73/65/981877365.db2.gz DVOMTOXDFGAEES-TXKKKEFDSA-N -1 0 341.517 3.553 20 0 EHADRM CCC(C)(C)C1CCC(CC(=O)N[C@@](C)(CCF)C(=O)[O-])CC1 ZINC001594796727 981880755 /nfs/dbraw/zinc/88/07/55/981880755.db2.gz JMJSKQSKYZDJOE-JRSKDTKFSA-N -1 0 329.456 3.938 20 0 EHADRM CCC(C)(C)NC(=S)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001594806173 981912222 /nfs/dbraw/zinc/91/22/22/981912222.db2.gz WZWOINICHLMQTB-LLVKDONJSA-N -1 0 348.390 3.641 20 0 EHADRM CCC(C)(C)OCc1cccc(NC(=O)NC2(CC(=O)[O-])CC2)c1C ZINC001594814241 981937027 /nfs/dbraw/zinc/93/70/27/981937027.db2.gz KGKZNXLSTWBJCI-UHFFFAOYSA-N -1 0 348.443 3.829 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)Cc1cccc(C(F)F)c1 ZINC000910507862 981972017 /nfs/dbraw/zinc/97/20/17/981972017.db2.gz RKJNHDLKSCFDIT-UHFFFAOYSA-N -1 0 341.398 3.762 20 0 EHADRM C[C@H](CCC(=O)N1CCc2cc(C(=O)[O-])ccc2C1)c1ccccc1 ZINC000910507702 981972438 /nfs/dbraw/zinc/97/24/38/981972438.db2.gz ZNWNNJCDQZGFFT-OAHLLOKOSA-N -1 0 337.419 3.853 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1nc(-c2ccccc2)oc1C(C)C ZINC001594823663 981977361 /nfs/dbraw/zinc/97/73/61/981977361.db2.gz JGSHEHYBWPBGPE-IBGZPJMESA-N -1 0 344.411 3.838 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cccn1[C@H](C)Cc1ccccc1 ZINC001594823842 981977980 /nfs/dbraw/zinc/97/79/80/981977980.db2.gz NCTRAXHAZZUPMI-FOIQADDNSA-N -1 0 342.439 3.665 20 0 EHADRM CCCC[C@@H](S[C@@H](C)C(=O)Nc1ccc(C)cc1F)C(=O)[O-] ZINC001595652193 982031528 /nfs/dbraw/zinc/03/15/28/982031528.db2.gz PUUKDBIUQMNFKJ-SMDDNHRTSA-N -1 0 327.421 3.838 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)CC(C)(C)CC(F)F ZINC000910624431 982033355 /nfs/dbraw/zinc/03/33/55/982033355.db2.gz QOSSEVBCBZRNAP-UHFFFAOYSA-N -1 0 329.343 3.794 20 0 EHADRM CCSCc1ccnc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC000910648277 982039520 /nfs/dbraw/zinc/03/95/20/982039520.db2.gz FSEWECAYPYIMGT-UHFFFAOYSA-N -1 0 348.468 3.698 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)Nc1cnn(CC(C)C)c1C(C)C ZINC000910649360 982041343 /nfs/dbraw/zinc/04/13/43/982041343.db2.gz IHPJUMNFHNYDSE-UHFFFAOYSA-N -1 0 333.388 3.514 20 0 EHADRM CC[C@@H](C)n1ncc(NC(=O)c2ccc(/C=C/C(=O)[O-])o2)c1C1CC1 ZINC000910649765 982041853 /nfs/dbraw/zinc/04/18/53/982041853.db2.gz YMULSOJINHEEHI-MXMFLMJRSA-N -1 0 343.383 3.675 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)/C=C\c2cc(C(=O)[O-])co2)c1C1CC1 ZINC000910649385 982041946 /nfs/dbraw/zinc/04/19/46/982041946.db2.gz VHUPJMPOLSVPKF-ZADCQDASSA-N -1 0 343.383 3.675 20 0 EHADRM CCCCn1ncc(NC(=O)c2cc(C(=O)[O-])ccc2Cl)c1C ZINC000910649573 982041974 /nfs/dbraw/zinc/04/19/74/982041974.db2.gz WZWKIRCTSZEFPB-UHFFFAOYSA-N -1 0 335.791 3.596 20 0 EHADRM CCCC[C@@H](SCC(=O)N(C)Cc1ccc(CC)cc1)C(=O)[O-] ZINC001595655159 982043746 /nfs/dbraw/zinc/04/37/46/982043746.db2.gz HUOYGBKTCVIEHY-MRXNPFEDSA-N -1 0 337.485 3.584 20 0 EHADRM CCCCn1ncc(NC(=O)c2ccc(/C=C/C(=O)[O-])o2)c1C(C)C ZINC000910656260 982043936 /nfs/dbraw/zinc/04/39/36/982043936.db2.gz KCQIKESMDBXLSN-VQHVLOKHSA-N -1 0 345.399 3.750 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2cnn(CC(C)C)c2C2CC2)c1 ZINC000910659838 982046617 /nfs/dbraw/zinc/04/66/17/982046617.db2.gz CPNJYUGQPHIFQB-UHFFFAOYSA-N -1 0 341.411 3.675 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2 ZINC000910678659 982053161 /nfs/dbraw/zinc/05/31/61/982053161.db2.gz ACJDUOOKXMKORW-JTQLQIEISA-N -1 0 348.424 3.610 20 0 EHADRM CC[C@](C)(NC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1)C1CC1 ZINC001594841356 982053748 /nfs/dbraw/zinc/05/37/48/982053748.db2.gz DUYWRRMQKCUMGI-HNNXBMFYSA-N -1 0 328.771 3.878 20 0 EHADRM CCCC[C@H](SCc1nc(Cc2ccccc2C)no1)C(=O)[O-] ZINC001595657326 982061551 /nfs/dbraw/zinc/06/15/51/982061551.db2.gz LOIIHIPVEVQRFR-AWEZNQCLSA-N -1 0 334.441 3.845 20 0 EHADRM CCCC[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001595660465 982070488 /nfs/dbraw/zinc/07/04/88/982070488.db2.gz FRUANNTUHPPTLA-OCCSQVGLSA-N -1 0 334.416 3.874 20 0 EHADRM CC(C)c1sc(NC(=O)Cc2cccc(Cl)c2)nc1C(=O)[O-] ZINC000910700239 982071120 /nfs/dbraw/zinc/07/11/20/982071120.db2.gz UHFMQIDCQJETMV-UHFFFAOYSA-N -1 0 338.816 3.799 20 0 EHADRM CC(C)c1sc(NC(=O)[C@@H](c2cccnc2)C(C)C)nc1C(=O)[O-] ZINC000910701281 982071662 /nfs/dbraw/zinc/07/16/62/982071662.db2.gz SVBNTVHGUOSTTQ-GFCCVEGCSA-N -1 0 347.440 3.738 20 0 EHADRM CCCC[C@@H]1CCC[C@@H]1N[C@H](C(=O)OC)c1cccc(C(=O)[O-])c1 ZINC001595660613 982072669 /nfs/dbraw/zinc/07/26/69/982072669.db2.gz KQZJPSQHXVMHLW-COXVUDFISA-N -1 0 333.428 3.547 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)[C@H]2CC[C@H](C)CC2)nc1C(=O)[O-] ZINC000910718077 982080115 /nfs/dbraw/zinc/08/01/15/982080115.db2.gz HHCDDPAPNBVSFA-DRZSPHRISA-N -1 0 336.457 3.640 20 0 EHADRM O=C([O-])c1nc(NC(=O)Cc2ccccc2Cl)sc1C1CC1 ZINC000910729957 982093102 /nfs/dbraw/zinc/09/31/02/982093102.db2.gz QGHNIFIGZNORQZ-UHFFFAOYSA-N -1 0 336.800 3.553 20 0 EHADRM Cc1cc(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)ccc1Cl ZINC000910743514 982106771 /nfs/dbraw/zinc/10/67/71/982106771.db2.gz PBOPIZGKCIMJSS-UHFFFAOYSA-N -1 0 336.800 3.933 20 0 EHADRM CCCCC[C@@H](C)NC(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001595666843 982108278 /nfs/dbraw/zinc/10/82/78/982108278.db2.gz USPATROMMFRDTQ-GFCCVEGCSA-N -1 0 336.407 3.560 20 0 EHADRM CCCCC[C@@H](NC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001595671106 982123080 /nfs/dbraw/zinc/12/30/80/982123080.db2.gz ZMOXPYPREHKNKP-CHWSQXEVSA-N -1 0 349.324 3.866 20 0 EHADRM CCCCC[C@H](NC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1)C(C)(C)C ZINC001595672135 982130165 /nfs/dbraw/zinc/13/01/65/982130165.db2.gz FOYGDYGEHWLZLU-KFWWJZLASA-N -1 0 326.481 3.734 20 0 EHADRM CCCCC[C@@H](NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001595672549 982135612 /nfs/dbraw/zinc/13/56/12/982135612.db2.gz MBJWRHBDORDBAM-IXDOHACOSA-N -1 0 332.444 3.861 20 0 EHADRM Cc1oc(-c2ccccc2)c(C(=O)NCC(C)(C)CC(=O)[O-])c1C ZINC000910830942 982142569 /nfs/dbraw/zinc/14/25/69/982142569.db2.gz KBCIZSAZSFUDIS-UHFFFAOYSA-N -1 0 329.396 3.794 20 0 EHADRM CCCCC[C@@H](NC(=O)Cc1coc2c1ccc(C)c2C)C(=O)[O-] ZINC001595673471 982142978 /nfs/dbraw/zinc/14/29/78/982142978.db2.gz YYSUGFQGUUUUAY-MRXNPFEDSA-N -1 0 331.412 3.742 20 0 EHADRM CCCCC[C@H](NC(=O)c1cc2ccccc2n1CCC)C(=O)[O-] ZINC001595675923 982144860 /nfs/dbraw/zinc/14/48/60/982144860.db2.gz DWYVCODCXZUQCI-HNNXBMFYSA-N -1 0 330.428 3.815 20 0 EHADRM CC[C@@H](C)[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC001594865841 982170641 /nfs/dbraw/zinc/17/06/41/982170641.db2.gz LQVWJMBXPPFVCW-FZKQIMNGSA-N -1 0 343.398 3.970 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCC[C@@]1(C)Cc1ccc(Cl)s1 ZINC000911062991 982220863 /nfs/dbraw/zinc/22/08/63/982220863.db2.gz QXZDDRZQMPVKDC-BZNIZROVSA-N -1 0 343.876 3.826 20 0 EHADRM CCCCCC[C@@H](C)NC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001595698735 982253973 /nfs/dbraw/zinc/25/39/73/982253973.db2.gz UVFBSTXDPUBXEH-KBAYOESNSA-N -1 0 346.471 3.855 20 0 EHADRM CCCCCCOCc1cccc(NC(=O)C23CC(C(=O)[O-])(C2)C3)c1 ZINC001595711608 982300373 /nfs/dbraw/zinc/30/03/73/982300373.db2.gz YTMDORWNSPMDBG-UHFFFAOYSA-N -1 0 345.439 3.977 20 0 EHADRM CCCCN(Cc1ccccc1F)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001595747539 982413812 /nfs/dbraw/zinc/41/38/12/982413812.db2.gz FVNLFFSOPDRGEH-UHFFFAOYSA-N -1 0 346.402 3.911 20 0 EHADRM Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000911399318 982417899 /nfs/dbraw/zinc/41/78/99/982417899.db2.gz QYEDYWYGRAXMNM-ZQIUZPCESA-N -1 0 333.403 3.689 20 0 EHADRM CCCCN(Cc1ccccc1Cl)C(=O)c1cc(C(=O)[O-])ccn1 ZINC001595749030 982419126 /nfs/dbraw/zinc/41/91/26/982419126.db2.gz ADXWBXHOUOHDKN-UHFFFAOYSA-N -1 0 346.814 3.876 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)c1cc2c(s1)-c1ccccc1CC2)C(=O)[O-] ZINC001594912143 982420432 /nfs/dbraw/zinc/42/04/32/982420432.db2.gz NPEDZYXSLXALNA-MEDUHNTESA-N -1 0 343.448 3.743 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)c1ccc([C@H](C)C(F)(F)F)cc1)C(=O)[O-] ZINC001594912615 982423919 /nfs/dbraw/zinc/42/39/19/982423919.db2.gz RKVUAROVRLPLPQ-OUJBWJOFSA-N -1 0 331.334 3.582 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)c1cc(C)c(-c2ccccc2)s1)C(=O)[O-] ZINC001594912824 982426419 /nfs/dbraw/zinc/42/64/19/982426419.db2.gz VJMGHFBMNYWNQJ-IAQYHMDHSA-N -1 0 331.437 3.953 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2ccc(Cl)cc2)C1 ZINC000911452176 982436764 /nfs/dbraw/zinc/43/67/64/982436764.db2.gz KNDHEWUJKGHBEV-LZWOXQAQSA-N -1 0 335.831 3.895 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3coc(C)n3)cc2)s1 ZINC000029433422 1014841898 /nfs/dbraw/zinc/84/18/98/1014841898.db2.gz LJUVQESDFOPQIX-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)Nc1ccccc1NCc1ccccc1C ZINC000911511433 982465532 /nfs/dbraw/zinc/46/55/32/982465532.db2.gz GRLZINCRIAKLJX-HNNXBMFYSA-N -1 0 326.396 3.656 20 0 EHADRM CCCCOCCNC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001595771719 982523295 /nfs/dbraw/zinc/52/32/95/982523295.db2.gz INWWGDWWKRRPGZ-UHFFFAOYSA-N -1 0 336.413 3.538 20 0 EHADRM C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000911593000 982525599 /nfs/dbraw/zinc/52/55/99/982525599.db2.gz ZGUYGMGENSOTDX-YPMHNXCESA-N -1 0 343.345 3.507 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N[C@](C)(CC(=O)[O-])c2ccccn2)s1 ZINC000911615625 982548569 /nfs/dbraw/zinc/54/85/69/982548569.db2.gz CDMMITVMUIETKN-GOSISDBHSA-N -1 0 346.452 3.561 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3CCC[C@H](CC(F)(F)F)C3)(CC1)CC2 ZINC000911655146 982585363 /nfs/dbraw/zinc/58/53/63/982585363.db2.gz KYRQMNPRCWZEPW-UWTIGNOOSA-N -1 0 347.377 3.603 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCCCCc1cccs1)c1ccncc1 ZINC000911658165 982587191 /nfs/dbraw/zinc/58/71/91/982587191.db2.gz JYLUUFOXLAUMBV-INIZCTEOSA-N -1 0 346.452 3.578 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)N[C@@H](CC(=O)[O-])c1ccncc1 ZINC000911660024 982589822 /nfs/dbraw/zinc/58/98/22/982589822.db2.gz SLQBXWLMZOIDEH-WBVHZDCISA-N -1 0 332.444 3.710 20 0 EHADRM CCCCc1cc(NC(=O)Nc2ccc(C(=O)[O-])cc2CC)n[nH]1 ZINC001595792274 982592513 /nfs/dbraw/zinc/59/25/13/982592513.db2.gz RIHUBBNBWDFFCT-UHFFFAOYSA-N -1 0 330.388 3.657 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)[C@@H](C)CSCc1ccccc1)C(=O)[O-] ZINC001594936536 982595195 /nfs/dbraw/zinc/59/51/95/982595195.db2.gz LKVLYLCDMAYFMY-DZKIICNBSA-N -1 0 337.485 3.562 20 0 EHADRM CCCCc1ccc(C(=O)N(CCc2ccccc2)CC(=O)[O-])cc1 ZINC001595793812 982596227 /nfs/dbraw/zinc/59/62/27/982596227.db2.gz OGGCVTKHPRDRNX-UHFFFAOYSA-N -1 0 339.435 3.799 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)CCc1ccc(F)c2ccccc12)C(=O)[O-] ZINC001594938451 982607013 /nfs/dbraw/zinc/60/70/13/982607013.db2.gz KZELTUJNIBUTJJ-UGSOOPFHSA-N -1 0 345.414 3.917 20 0 EHADRM CCCCc1nc(-c2cn([C@@H]3CCC[C@@H](C(=O)[O-])C3)nn2)cs1 ZINC001595797567 982607407 /nfs/dbraw/zinc/60/74/07/982607407.db2.gz PFSRGMPKHQLENK-VXGBXAGGSA-N -1 0 334.445 3.560 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)/C=C\c1ccc(F)c2ccccc12)C(=O)[O-] ZINC001594940165 982612856 /nfs/dbraw/zinc/61/28/56/982612856.db2.gz YADXNDXYUMHCJM-WVFNUMAPSA-N -1 0 343.398 3.998 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC001594942418 982619445 /nfs/dbraw/zinc/61/94/45/982619445.db2.gz PSBNQMQBBGOIBN-RNCFNFMXSA-N -1 0 332.227 3.542 20 0 EHADRM CCCCn1ncc(NC(=O)Cc2ccccc2C(=O)[O-])c1C(C)C ZINC001595807364 982634290 /nfs/dbraw/zinc/63/42/90/982634290.db2.gz KRFUZWNDDJPRPM-UHFFFAOYSA-N -1 0 343.427 3.686 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)c1ccc(OC(F)F)c(Cl)c1)C(=O)[O-] ZINC001594946952 982645028 /nfs/dbraw/zinc/64/50/28/982645028.db2.gz UWXSKIBRDHTOCI-LDYMZIIASA-N -1 0 349.761 3.561 20 0 EHADRM CC[C@H](C)C[C@@H](Nc1nc2cc(Br)ccc2o1)C(=O)[O-] ZINC001594952886 982674603 /nfs/dbraw/zinc/67/46/03/982674603.db2.gz OBNHYZIUTKLETI-GZMMTYOYSA-N -1 0 341.205 3.892 20 0 EHADRM Cc1cc(NC(=O)C[C@H]2CCC[C@H](C(F)(F)F)O2)ccc1C(=O)[O-] ZINC000923055564 982699485 /nfs/dbraw/zinc/69/94/85/982699485.db2.gz DDMAOWVQQFLYJM-DGCLKSJQSA-N -1 0 345.317 3.522 20 0 EHADRM Cc1cc(NC(=O)C[C@H]2CCC[C@@H](C(F)(F)F)O2)ccc1C(=O)[O-] ZINC000923055568 982699591 /nfs/dbraw/zinc/69/95/91/982699591.db2.gz DDMAOWVQQFLYJM-YPMHNXCESA-N -1 0 345.317 3.522 20 0 EHADRM CC[C@@H](C)CCC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001594958867 982701664 /nfs/dbraw/zinc/70/16/64/982701664.db2.gz XZDJLDOWTMAPIU-SNVBAGLBSA-N -1 0 329.343 3.794 20 0 EHADRM Cc1ccc(NC(=O)C[C@@H]2CCC[C@H](C(F)(F)F)O2)cc1C(=O)[O-] ZINC000923063193 982701962 /nfs/dbraw/zinc/70/19/62/982701962.db2.gz CWMBLPIRDUVHLJ-WCQYABFASA-N -1 0 345.317 3.522 20 0 EHADRM CC[C@@H](C)CCCCC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001594959047 982703198 /nfs/dbraw/zinc/70/31/98/982703198.db2.gz JKFASYOHXABMJM-OXQOHEQNSA-N -1 0 331.456 3.848 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)c2ccsc2C(F)F)C(=O)[O-])cc1 ZINC000923065781 982704021 /nfs/dbraw/zinc/70/40/21/982704021.db2.gz SWXVBGOOUUPTBA-GFCCVEGCSA-N -1 0 339.363 3.592 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)C1(Cc2ccccc2F)CC1 ZINC000923093827 982718911 /nfs/dbraw/zinc/71/89/11/982718911.db2.gz DGJAFYIEKPYBQZ-UHFFFAOYSA-N -1 0 333.384 3.855 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NCC1CCC=CCC1)C(=O)[O-] ZINC000923111438 982731629 /nfs/dbraw/zinc/73/16/29/982731629.db2.gz IQNTZJFHYIZDSE-ZDUSSCGKSA-N -1 0 333.453 3.728 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC001594968730 982735952 /nfs/dbraw/zinc/73/59/52/982735952.db2.gz RSICOPOEXQMNGL-WDEREUQCSA-N -1 0 331.334 3.521 20 0 EHADRM CCCN(C)c1ccccc1NC(=O)N[C@@H](CC(=O)[O-])C1CCCC1 ZINC001595839215 982750984 /nfs/dbraw/zinc/75/09/84/982750984.db2.gz CAHCEXSFDZTMAV-INIZCTEOSA-N -1 0 347.459 3.688 20 0 EHADRM CCCN(C)c1ccccc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001595840478 982761970 /nfs/dbraw/zinc/76/19/70/982761970.db2.gz YPGNXJJQZZXDEO-UHFFFAOYSA-N -1 0 340.423 3.802 20 0 EHADRM Cc1c(C(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C)oc2c1c(C)ccc2C ZINC000923152889 982766214 /nfs/dbraw/zinc/76/62/14/982766214.db2.gz LKXXACPZQMEBPJ-TZMCWYRMSA-N -1 0 329.396 3.683 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC001595846700 982777080 /nfs/dbraw/zinc/77/70/80/982777080.db2.gz VEDJNLXIRKIORG-IBGZPJMESA-N -1 0 339.435 3.726 20 0 EHADRM CCCN(CC)c1ccc(C(=O)Nc2cc(C(=O)[O-])sc2C)cn1 ZINC001595868793 982843162 /nfs/dbraw/zinc/84/31/62/982843162.db2.gz FIMNDXALTWIIRE-UHFFFAOYSA-N -1 0 347.440 3.638 20 0 EHADRM CC[C@@H](C)Oc1cc(C(=O)Oc2ccc(C(=O)[O-])cc2Cl)ccn1 ZINC001594996714 982901690 /nfs/dbraw/zinc/90/16/90/982901690.db2.gz NVCBARZRINASLH-SNVBAGLBSA-N -1 0 349.770 3.830 20 0 EHADRM CCCN(CCc1cccc(F)c1)C(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001595884330 982906682 /nfs/dbraw/zinc/90/66/82/982906682.db2.gz SBJSKLSWEOOKLZ-UHFFFAOYSA-N -1 0 343.398 3.927 20 0 EHADRM CCCN(Cc1ccc(C)cc1)C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001595888634 982919026 /nfs/dbraw/zinc/91/90/26/982919026.db2.gz RABSONIJDWTYMG-DLBZAZTESA-N -1 0 332.444 3.560 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)Nc2cnc(C)c(C(=O)[O-])c2)c1 ZINC001595007480 982924641 /nfs/dbraw/zinc/92/46/41/982924641.db2.gz CNVNKWCPHYOIMY-NSHDSACASA-N -1 0 343.383 3.910 20 0 EHADRM CC[C@H](C)Oc1ccc(NC(=O)N2CCC[C@@](C)(C(=O)[O-])C2)cc1 ZINC001595008294 982928946 /nfs/dbraw/zinc/92/89/46/982928946.db2.gz NUKYYGXRBDNIKG-SCLBCKFNSA-N -1 0 334.416 3.583 20 0 EHADRM CC[C@@H](C)c1ccc(C(=O)COC(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC001595010051 982938558 /nfs/dbraw/zinc/93/85/58/982938558.db2.gz MPUUNXSPDKWECY-CYBMUJFWSA-N -1 0 340.375 3.938 20 0 EHADRM CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)C(C)(C)CC(=O)[O-] ZINC001595014351 982951742 /nfs/dbraw/zinc/95/17/42/982951742.db2.gz RNIWYJBMQPJJAY-OLZOCXBDSA-N -1 0 349.427 3.571 20 0 EHADRM O=C([O-])[C@H](c1ccccc1Cl)N1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001119002547 982974520 /nfs/dbraw/zinc/97/45/20/982974520.db2.gz RLESLAAGMUQKCB-YOEHRIQHSA-N -1 0 349.789 3.758 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc([C@@H]3CCCOC3)c2)cc1F ZINC001119639083 983009062 /nfs/dbraw/zinc/00/90/62/983009062.db2.gz YCCDVQIDYJECDM-CQSZACIVSA-N -1 0 343.354 3.670 20 0 EHADRM Cc1ccccc1C1(C(=O)NCCCCC2(C(=O)[O-])CCC2)CC1 ZINC001120417599 983028462 /nfs/dbraw/zinc/02/84/62/983028462.db2.gz LCQRFOZVTIPUBW-UHFFFAOYSA-N -1 0 329.440 3.568 20 0 EHADRM CCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](CC)C(=O)[O-] ZINC001595954383 983137075 /nfs/dbraw/zinc/13/70/75/983137075.db2.gz IUVYZZMOOBOYLL-SNVBAGLBSA-N -1 0 333.306 3.544 20 0 EHADRM CCCOc1ccc(C(C)(C)NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC001595955028 983143493 /nfs/dbraw/zinc/14/34/93/983143493.db2.gz WEDKNEXUAZPLSH-HUUCEWRRSA-N -1 0 347.455 3.718 20 0 EHADRM CCCOc1ccc(CNc2ccc(C(=O)[O-])nc2)cc1OCC ZINC001595961227 983157901 /nfs/dbraw/zinc/15/79/01/983157901.db2.gz WBWUKVLTLRZALG-UHFFFAOYSA-N -1 0 330.384 3.579 20 0 EHADRM CCCOc1cccc(/C=C2\C(=O)Nc3cc(F)c(C(=O)[O-])cc32)c1 ZINC001595967220 983177826 /nfs/dbraw/zinc/17/78/26/983177826.db2.gz FREMPQSLBQJXDO-ZSOIEALJSA-N -1 0 341.338 3.805 20 0 EHADRM CCCc1c(C(=O)N2C[C@@H](C)c3ccccc32)[nH]c(C)c1C(=O)[O-] ZINC001596031134 983302267 /nfs/dbraw/zinc/30/22/67/983302267.db2.gz RPOYHAFUKLGAIT-LLVKDONJSA-N -1 0 326.396 3.738 20 0 EHADRM CCCc1c(C(=O)N[C@@H]2C[C@H]2c2ccccc2C)[nH]c(C)c1C(=O)[O-] ZINC001596045846 983336600 /nfs/dbraw/zinc/33/66/00/983336600.db2.gz SLAXTBZOWSKVHI-JKSUJKDBSA-N -1 0 340.423 3.568 20 0 EHADRM CCCc1ccc(CCCC(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)cc1 ZINC001596063095 983373506 /nfs/dbraw/zinc/37/35/06/983373506.db2.gz PNPMCZOENVHZIZ-YWZLYKJASA-N -1 0 331.456 3.531 20 0 EHADRM CCCc1ccccc1C(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)[O-] ZINC001596070735 983387370 /nfs/dbraw/zinc/38/73/70/983387370.db2.gz XFSMYYDYVVEEMG-GOSISDBHSA-N -1 0 339.435 3.621 20 0 EHADRM CCCc1nc(C)c(C(=O)Nc2ccc(OC(C)C)cc2C(=O)[O-])o1 ZINC001596082105 983398402 /nfs/dbraw/zinc/39/84/02/983398402.db2.gz FZLKNZZXLZWFOU-UHFFFAOYSA-N -1 0 346.383 3.673 20 0 EHADRM CCCn1ncc(NC(=O)Nc2ccc(C(=O)[O-])s2)c1C1CC1 ZINC001596120530 983454577 /nfs/dbraw/zinc/45/45/77/983454577.db2.gz ORDFYHZPGGVOIE-UHFFFAOYSA-N -1 0 334.401 3.574 20 0 EHADRM COc1ccc(-c2nc(C[S@](=O)c3ccc(O)cc3)cs2)cc1 ZINC000108086047 1014951790 /nfs/dbraw/zinc/95/17/90/1014951790.db2.gz JUJCRBJFTVFEMR-HSZRJFAPSA-N -1 0 345.445 3.832 20 0 EHADRM CCN(C(=O)Nc1ccc(CC(=O)[O-])cc1)[C@H](C)Cc1ccsc1 ZINC001596150810 983510857 /nfs/dbraw/zinc/51/08/57/983510857.db2.gz PKSQGXQSIPEHCZ-CYBMUJFWSA-N -1 0 346.452 3.860 20 0 EHADRM CCN(C(=O)Nc1cc(-c2ccncc2)sc1C(=O)[O-])C1CCC1 ZINC001596151392 983512212 /nfs/dbraw/zinc/51/22/12/983512212.db2.gz WJUKXOAJUKVUJL-UHFFFAOYSA-N -1 0 345.424 3.915 20 0 EHADRM CCN(C(=O)c1cc2ccccc2cc1F)c1ncc(C(=O)[O-])s1 ZINC001596165663 983530641 /nfs/dbraw/zinc/53/06/41/983530641.db2.gz ZMPRMULJHPQGJO-UHFFFAOYSA-N -1 0 344.367 3.800 20 0 EHADRM CCN(C(=S)NCCCC(=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC001596175111 983542357 /nfs/dbraw/zinc/54/23/57/983542357.db2.gz UKFVQNFFOHQJSW-LBPRGKRZSA-N -1 0 334.441 3.555 20 0 EHADRM CCN(CC)c1ccc(C(=O)Nc2scc(C(=O)[O-])c2C)cc1 ZINC001596289971 983710537 /nfs/dbraw/zinc/71/05/37/983710537.db2.gz SSIKEJBKYZDRAO-UHFFFAOYSA-N -1 0 332.425 3.853 20 0 EHADRM CCN(Cc1ccc(Cl)c(Cl)c1)c1cnc(C(=O)[O-])cn1 ZINC001596359566 983834395 /nfs/dbraw/zinc/83/43/95/983834395.db2.gz KASYOBJRQGRKJG-UHFFFAOYSA-N -1 0 326.183 3.508 20 0 EHADRM CCN(Cc1ccc(Cl)cc1)C(=O)c1ccsc1CC(=O)[O-] ZINC001596359990 983836754 /nfs/dbraw/zinc/83/67/54/983836754.db2.gz WFVNAVMTYVXYFU-UHFFFAOYSA-N -1 0 337.828 3.691 20 0 EHADRM CCNc1ccc(C)cc1C(=O)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC001596501366 984254948 /nfs/dbraw/zinc/25/49/48/984254948.db2.gz RIFTZWIRJSZXJK-UHFFFAOYSA-N -1 0 342.395 3.524 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ccnn2C2CCCCC2)cc1C ZINC000066248329 1015030785 /nfs/dbraw/zinc/03/07/85/1015030785.db2.gz TYANUJIKUYOWMP-UHFFFAOYSA-N -1 0 349.456 3.506 20 0 EHADRM C=COc1ccc(NC(=O)Nc2ccc(C(=O)[O-])cc2OC)cc1 ZINC001588913448 984555116 /nfs/dbraw/zinc/55/51/16/984555116.db2.gz CLIMGTBTXADBRG-UHFFFAOYSA-N -1 0 328.324 3.560 20 0 EHADRM C/C(=C\C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccccc1C ZINC001588938929 984625729 /nfs/dbraw/zinc/62/57/29/984625729.db2.gz IQJGJWMDBMQTRS-FERCGXDMSA-N -1 0 335.403 3.609 20 0 EHADRM C/C(=C/C(=O)NCc1ccccc1CC(=O)[O-])c1ccccc1Cl ZINC001588943298 984640594 /nfs/dbraw/zinc/64/05/94/984640594.db2.gz ZUCNETZRICIPKQ-RAXLEYEMSA-N -1 0 343.810 3.687 20 0 EHADRM C/C(=C/C(=O)Nc1ccc(CC(=O)[O-])c(F)c1)c1cccc(F)c1 ZINC001588943812 984641936 /nfs/dbraw/zinc/64/19/36/984641936.db2.gz DRHVABSBOYFKSR-XFFZJAGNSA-N -1 0 331.318 3.634 20 0 EHADRM C/C(=C\C(=O)Nc1c(C)ccc(C(=O)[O-])c1O)c1cccc(F)c1 ZINC001588944036 984644405 /nfs/dbraw/zinc/64/44/05/984644405.db2.gz MVHNBPGNHSRFTF-DHZHZOJOSA-N -1 0 329.327 3.580 20 0 EHADRM C/C(=C\CN[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)C(=O)[O-] ZINC001588982139 984875066 /nfs/dbraw/zinc/87/50/66/984875066.db2.gz OULRTINWXLVSTK-TZOMUSMUSA-N -1 0 325.689 3.703 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001599906188 984925286 /nfs/dbraw/zinc/92/52/86/984925286.db2.gz UWHJANIHLUUQST-RGZNSWCXSA-N -1 0 335.831 3.895 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001588995907 984929919 /nfs/dbraw/zinc/92/99/19/984929919.db2.gz WHSWRYWXELMXLE-BJRSVTDJSA-N -1 0 341.382 3.522 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC001588999035 984936799 /nfs/dbraw/zinc/93/67/99/984936799.db2.gz QVCODFJXDJDQRY-QJWNTBNXSA-N -1 0 345.345 3.619 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)c2ccc(-c3ccc(F)cc3)o2)(C(=O)[O-])CC1 ZINC001599907562 984943216 /nfs/dbraw/zinc/94/32/16/984943216.db2.gz XMCASONHWCQPPF-GGZYXLCDSA-N -1 0 345.370 3.849 20 0 EHADRM C/C(=C/c1ccccc1Cl)C(=O)N[C@@H](CC(=O)[O-])C1CCCC1 ZINC001589003478 984952935 /nfs/dbraw/zinc/95/29/35/984952935.db2.gz BBSLNVGYVBKTSI-DMIOIOJGSA-N -1 0 335.831 3.893 20 0 EHADRM C/C(=C\c1ccccc1)CN(C)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001589004163 984962131 /nfs/dbraw/zinc/96/21/31/984962131.db2.gz ZBVBIHIGTPQSAD-JLHYYAGUSA-N -1 0 327.355 3.699 20 0 EHADRM C/C(=C/c1ccncc1)C(=O)Nc1c(C)cc(Cl)cc1C(=O)[O-] ZINC001589010839 984983767 /nfs/dbraw/zinc/98/37/67/984983767.db2.gz QICPGKQOFAYGLX-XFFZJAGNSA-N -1 0 330.771 3.784 20 0 EHADRM CCOC(=O)c1csc(CSCc2csc(C(=O)[O-])c2)n1 ZINC001596749675 985089296 /nfs/dbraw/zinc/08/92/96/985089296.db2.gz YNHCEFJVFJQQIX-UHFFFAOYSA-N -1 0 343.451 3.513 20 0 EHADRM CSc1cc(NC(=O)C[C@@]2(C(=O)[O-])CCSC2)ccc1Cl ZINC000666114102 1032110074 /nfs/dbraw/zinc/11/00/74/1032110074.db2.gz DMOSDWXZMQEQDR-AWEZNQCLSA-N -1 0 345.873 3.598 20 0 EHADRM C[C@H]1CN(C(=O)NC2CCC3(CCCCC3)CC2)C[C@]1(C)C(=O)[O-] ZINC001599919594 985111982 /nfs/dbraw/zinc/11/19/82/985111982.db2.gz WMDKUKPSYMDNCF-KSSFIOAISA-N -1 0 336.476 3.632 20 0 EHADRM CCO[C@H](C(=O)Nc1cc(C(=O)[O-])ccc1Cl)c1ccccc1 ZINC001596768112 985184084 /nfs/dbraw/zinc/18/40/84/985184084.db2.gz VQQIQTCWDGGOBB-HNNXBMFYSA-N -1 0 333.771 3.755 20 0 EHADRM CCO[C@H](CC(=O)OCc1cccc(C(=O)[O-])c1Cl)C(C)C ZINC001596782493 985239227 /nfs/dbraw/zinc/23/92/27/985239227.db2.gz PRJLIDHDIPKUIH-CYBMUJFWSA-N -1 0 328.792 3.533 20 0 EHADRM CCO[C@@H](c1noc(/C=C\c2cc(C(=O)[O-])co2)n1)C1CCCC1 ZINC001596789629 985259709 /nfs/dbraw/zinc/25/97/09/985259709.db2.gz FICPCZVJURKVNE-ZPIQOJFGSA-N -1 0 332.356 3.799 20 0 EHADRM CC(C)c1csc([N-]S(=O)(=O)c2c(F)cccc2Cl)n1 ZINC000153446232 1125492438 /nfs/dbraw/zinc/49/24/38/1125492438.db2.gz WUBDOCXBPHTZNZ-UHFFFAOYSA-N -1 0 334.825 3.860 20 0 EHADRM C[C@H]1Cc2ccccc2N(C(=O)Cc2ccccc2Cl)[C@H]1C(=O)[O-] ZINC001599937213 985410053 /nfs/dbraw/zinc/41/00/53/985410053.db2.gz LWQMXCUGTZQJJK-KPZWWZAWSA-N -1 0 343.810 3.561 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)[N@@H+]2CCC[C@H](C(C)(C)C)C2)c(C)c1C(=O)[O-] ZINC001599945269 985515437 /nfs/dbraw/zinc/51/54/37/985515437.db2.gz OXUBRVGGEAOJGE-KBPBESRZSA-N -1 0 334.460 3.659 20 0 EHADRM Cc1[nH]c(C(=O)CN2CCC[C@H](C)c3ccccc32)c(C)c1C(=O)[O-] ZINC001599945798 985524215 /nfs/dbraw/zinc/52/42/15/985524215.db2.gz RKKYCUISKRTWJH-LBPRGKRZSA-N -1 0 340.423 3.916 20 0 EHADRM CCO[C@@H]1C[C@@H](Nc2cc(COC)cc(C(=O)[O-])c2)C12CCCC2 ZINC001596843942 985536954 /nfs/dbraw/zinc/53/69/54/985536954.db2.gz XMCZTWZFQCBMMU-IAGOWNOFSA-N -1 0 333.428 3.681 20 0 EHADRM Cc1[nH]c(C(=O)N2C[C@@H](C)CSc3ccccc32)c(C)c1C(=O)[O-] ZINC001599951065 985608012 /nfs/dbraw/zinc/60/80/12/985608012.db2.gz OFOSRUHPQXEDAC-SNVBAGLBSA-N -1 0 344.436 3.718 20 0 EHADRM Cc1[nH]c(C(=O)N2CC[C@H]([C@@H]3CCCC3(C)C)C2)c(C)c1C(=O)[O-] ZINC001599951221 985609971 /nfs/dbraw/zinc/60/99/71/985609971.db2.gz ORVNDFRLWJOYBL-KBPBESRZSA-N -1 0 332.444 3.618 20 0 EHADRM Cc1[nH]c(C(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)c(C)c1C(=O)[O-] ZINC001599952688 985635761 /nfs/dbraw/zinc/63/57/61/985635761.db2.gz LPBLEZBWCRMGMU-HZPDHXFCSA-N -1 0 340.423 3.786 20 0 EHADRM Cc1[nH]c(C(=O)N[C@H]2CCCc3ccc(Cl)cc32)c(C)c1C(=O)[O-] ZINC001599954035 985656139 /nfs/dbraw/zinc/65/61/39/985656139.db2.gz SPNAMTVAJZPDJM-AWEZNQCLSA-N -1 0 346.814 3.791 20 0 EHADRM C[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC2(CCC2)O1 ZINC001594500310 985675074 /nfs/dbraw/zinc/67/50/74/985675074.db2.gz HWSNYQJKBZVCQN-QMTHXVAHSA-N -1 0 344.238 3.763 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@@H]1CCc2ccc(C(C)C)cc21 ZINC001599955150 985675496 /nfs/dbraw/zinc/67/54/96/985675496.db2.gz AINHCGFKZFRBII-MRXNPFEDSA-N -1 0 340.423 3.870 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@@H](C)c1ccc(Cl)c(F)c1 ZINC001599956143 985692342 /nfs/dbraw/zinc/69/23/42/985692342.db2.gz WXDVJSXASGVJBS-QMMMGPOBSA-N -1 0 338.766 3.613 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1ccc2oc(C)c(C)c2c1 ZINC001599956729 985700408 /nfs/dbraw/zinc/70/04/08/985700408.db2.gz MXUSJGZBJMGHGF-UHFFFAOYSA-N -1 0 326.352 3.945 20 0 EHADRM Cc1[nH]c(CN[C@H](CCc2ccccc2)C(F)(F)F)cc1C(=O)[O-] ZINC001599964828 985882466 /nfs/dbraw/zinc/88/24/66/985882466.db2.gz WXQPUZQVTZAROW-OAHLLOKOSA-N -1 0 340.345 3.675 20 0 EHADRM Cc1[nH]c2ccccc2c1C1CCN(c2cccc(C(=O)[O-])n2)CC1 ZINC001599965165 985889291 /nfs/dbraw/zinc/88/92/91/985889291.db2.gz DLXDRPLZBMUUSJ-UHFFFAOYSA-N -1 0 335.407 3.954 20 0 EHADRM CC(=O)c1c(C)cc(NC(=O)CCc2ccccc2C(=O)[O-])cc1C ZINC001589255364 985891762 /nfs/dbraw/zinc/89/17/62/985891762.db2.gz SMCSQCQMWXOVOX-UHFFFAOYSA-N -1 0 339.391 3.776 20 0 EHADRM Cc1[nH]c2c(cccc2C(=O)Nc2nc(CCC(=O)[O-])cs2)c1C ZINC001599965274 985892006 /nfs/dbraw/zinc/89/20/06/985892006.db2.gz VBSRYNOYNOPLGC-UHFFFAOYSA-N -1 0 343.408 3.511 20 0 EHADRM Cc1c(NC(=O)Nc2cc(C(=O)[O-])cs2)n[nH]c1-c1ccccc1 ZINC001599969285 985975331 /nfs/dbraw/zinc/97/53/31/985975331.db2.gz ASGLGPQGBMIYEI-UHFFFAOYSA-N -1 0 342.380 3.789 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)[O-])cc1 ZINC001589277414 985995611 /nfs/dbraw/zinc/99/56/11/985995611.db2.gz QKWYCRUAOLSNES-UHFFFAOYSA-N -1 0 331.755 3.802 20 0 EHADRM CC(=O)c1ccc(C(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)s1 ZINC001589279179 986002214 /nfs/dbraw/zinc/00/22/14/986002214.db2.gz OBOMMQQWQSMYHK-UHFFFAOYSA-N -1 0 332.377 3.532 20 0 EHADRM CC(=O)c1ccc(C(=O)Oc2cc(C(=O)[O-])cc(F)c2C)cc1C ZINC001589279862 986005792 /nfs/dbraw/zinc/00/57/92/986005792.db2.gz ZHOHNUIOCWHIDL-UHFFFAOYSA-N -1 0 330.311 3.563 20 0 EHADRM CC(=O)c1ccc(OC(=O)c2cc(C(=O)[O-])ccc2Cl)c(C)c1 ZINC001589290997 986031865 /nfs/dbraw/zinc/03/18/65/986031865.db2.gz KKUCOSCTZQNTOA-UHFFFAOYSA-N -1 0 332.739 3.768 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N[C@H](CC(=O)[O-])C1CCCC1 ZINC001599978491 986129183 /nfs/dbraw/zinc/12/91/83/986129183.db2.gz GDKXTZQSZFQKEJ-OAHLLOKOSA-N -1 0 329.396 3.813 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)c3nccs3)ccc2n1C1CC1 ZINC001599984674 986214349 /nfs/dbraw/zinc/21/43/49/986214349.db2.gz YJQPLOTYZQHLAU-UHFFFAOYSA-N -1 0 342.376 3.659 20 0 EHADRM C[C@H](C(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-])c1ccc2ccccc2c1 ZINC001589345599 986279625 /nfs/dbraw/zinc/27/96/25/986279625.db2.gz CLDGYDKIQSYQLU-YFYLHZKVSA-N -1 0 337.419 3.655 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CC[C@H]1C1CCCC1 ZINC001597014118 986359095 /nfs/dbraw/zinc/35/90/95/986359095.db2.gz AOSADIWJGCSPGP-HNNXBMFYSA-N -1 0 332.400 3.580 20 0 EHADRM Cc1ccc(-c2nc(C[N@H+]3C[C@@H](C(=O)[O-])CC[C@@H]3C)cs2)cc1 ZINC000263521904 1125495965 /nfs/dbraw/zinc/49/59/65/1125495965.db2.gz RIMQPPSANQHSJR-ZFWWWQNUSA-N -1 0 330.453 3.804 20 0 EHADRM C[C@@H]1CN(c2ccc(NC3CCC(CC(=O)[O-])CC3)cc2)C[C@H](C)O1 ZINC001594576267 986418238 /nfs/dbraw/zinc/41/82/38/986418238.db2.gz WBFAEEDFBCMXBH-RYTJFDOTSA-N -1 0 346.471 3.746 20 0 EHADRM CCOc1cc(Cl)ccc1NC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001597036508 986477894 /nfs/dbraw/zinc/47/78/94/986477894.db2.gz HJRULEVDKULVGQ-XQRVVYSFSA-N -1 0 335.743 3.682 20 0 EHADRM CCOc1cc(NC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)ccc1C ZINC001597042418 986493148 /nfs/dbraw/zinc/49/31/48/986493148.db2.gz PNIMUMXITVKZDX-OXJNMPFZSA-N -1 0 339.391 3.591 20 0 EHADRM CCOc1ccc([C@@H](C)NC(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC001597073791 986596186 /nfs/dbraw/zinc/59/61/86/986596186.db2.gz CLIZMDRRSLXTET-CYBMUJFWSA-N -1 0 342.395 3.595 20 0 EHADRM CCOc1ccc([C@@H](C)Nc2cc(CC(=O)[O-])ccn2)cc1OCC ZINC001597074990 986604159 /nfs/dbraw/zinc/60/41/59/986604159.db2.gz XSRYIJHLKISGQM-CYBMUJFWSA-N -1 0 344.411 3.679 20 0 EHADRM C[C@@H]1CSc2ccccc2N(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C1 ZINC001594612450 986610122 /nfs/dbraw/zinc/61/01/22/986610122.db2.gz PCAOHVHKTFRFRE-MELADBBJSA-N -1 0 333.453 3.652 20 0 EHADRM CCOc1ccc(C[C@H](C)C(=O)N(CC(C)C)C(C)(C)C(=O)[O-])cc1 ZINC001597082515 986637972 /nfs/dbraw/zinc/63/79/72/986637972.db2.gz TZGDTHHYSKXCHG-HNNXBMFYSA-N -1 0 349.471 3.612 20 0 EHADRM C[C@@H]1N(Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CCOC1(C)C ZINC001594624688 986687292 /nfs/dbraw/zinc/68/72/92/986687292.db2.gz BTQGGVYVCOOXML-ZDUSSCGKSA-N -1 0 329.396 3.644 20 0 EHADRM CCOc1ccc(CN(C)C(=O)Nc2cc(C(=O)[O-])sc2C)cc1 ZINC001597100545 986705752 /nfs/dbraw/zinc/70/57/52/986705752.db2.gz OTYJJWMEUJBNEI-UHFFFAOYSA-N -1 0 348.424 3.817 20 0 EHADRM CCOc1ccc(NC(=O)[C@@H](C)Sc2ccc(C(=O)[O-])cc2)cc1 ZINC001597113393 986786021 /nfs/dbraw/zinc/78/60/21/986786021.db2.gz SGCQWKQVJOARRI-GFCCVEGCSA-N -1 0 345.420 3.903 20 0 EHADRM CCOc1ccc([C@@H](C)OC(=O)C2(C(=O)[O-])CC3(CCC3)C2)cc1 ZINC001597140130 986884135 /nfs/dbraw/zinc/88/41/35/986884135.db2.gz PMGSBUHQSSQTQZ-CYBMUJFWSA-N -1 0 332.396 3.725 20 0 EHADRM CCOc1cccc([C@H](C)NC(=O)Nc2ccc(C(=O)[O-])cc2C)c1 ZINC001597149895 986922694 /nfs/dbraw/zinc/92/26/94/986922694.db2.gz MPJLKZFTRSOLFQ-ZDUSSCGKSA-N -1 0 342.395 3.975 20 0 EHADRM CCOc1cccc(NC(=O)Nc2ccc(F)c(C(=O)[O-])c2C)c1 ZINC001597161737 986968733 /nfs/dbraw/zinc/96/87/33/986968733.db2.gz MGPQSXVZNDALFO-UHFFFAOYSA-N -1 0 332.331 3.875 20 0 EHADRM C[C@@H]1c2ccccc2CCN1C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001594666924 986969038 /nfs/dbraw/zinc/96/90/38/986969038.db2.gz CHCSPHNKHPYNBK-CYBMUJFWSA-N -1 0 348.402 3.555 20 0 EHADRM C[C@@H]1c2cccn2CCN1Cc1c(Br)cccc1C(=O)[O-] ZINC001594670594 986978521 /nfs/dbraw/zinc/97/85/21/986978521.db2.gz CWAMGTLKBHRPSZ-LLVKDONJSA-N -1 0 349.228 3.526 20 0 EHADRM CCOc1ccccc1-c1nnc(S[C@@H](C(=O)[O-])[C@H](C)CC)o1 ZINC001597168070 986995097 /nfs/dbraw/zinc/99/50/97/986995097.db2.gz WNPMNLYYJPDJBR-ZWNOBZJWSA-N -1 0 336.413 3.727 20 0 EHADRM CCOc1ccccc1CNc1ncc(C(=O)[O-])cc1C(F)(F)F ZINC001597178169 987024447 /nfs/dbraw/zinc/02/44/47/987024447.db2.gz BVUQQMJMTFPTKZ-UHFFFAOYSA-N -1 0 340.301 3.809 20 0 EHADRM C/C=C/C[C@@H]1CCCN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)C1 ZINC001594686500 987066110 /nfs/dbraw/zinc/06/61/10/987066110.db2.gz XGAOKOAPFWKCOC-WOMSROEHSA-N -1 0 330.428 3.914 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)C2CC(O)(CCC(C)(C)C)C2)cc1 ZINC001589502331 987103546 /nfs/dbraw/zinc/10/35/46/987103546.db2.gz FJMBFMMINMWYDO-JUJQQSPASA-N -1 0 347.455 3.781 20 0 EHADRM CCc1csc(CC2CCN(C(=O)c3ccc(F)cc3[O-])CC2)n1 ZINC000655262020 1015277625 /nfs/dbraw/zinc/27/76/25/1015277625.db2.gz PAEDRAGOOZCYDR-UHFFFAOYSA-N -1 0 348.443 3.645 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N(C)Cc2ccc(Cl)nc2)cc1 ZINC001589503961 987110700 /nfs/dbraw/zinc/11/07/00/987110700.db2.gz IGXYZBQGTQTDDG-LLVKDONJSA-N -1 0 347.802 3.587 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)Cc2ccc(-n3cccc3)cc2)cc1 ZINC001589505268 987118928 /nfs/dbraw/zinc/11/89/28/987118928.db2.gz SIUMACGDCZMNLH-HNNXBMFYSA-N -1 0 348.402 3.847 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)Cc2c[nH]c3cc(F)ccc23)cc1 ZINC001589505722 987122227 /nfs/dbraw/zinc/12/22/27/987122227.db2.gz XYDUYVNGOWAPAT-LLVKDONJSA-N -1 0 340.354 3.676 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N[C@H](CF)c2ccc(F)cc2)cc1 ZINC001589508452 987128997 /nfs/dbraw/zinc/12/89/97/987128997.db2.gz KBVJGFAPDYBVMB-MEDUHNTESA-N -1 0 348.349 3.846 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NCCc2cccc(Cl)c2)cc1 ZINC001589511914 987144362 /nfs/dbraw/zinc/14/43/62/987144362.db2.gz FLPGVGATFMGLIN-LBPRGKRZSA-N -1 0 346.814 3.892 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N[C@@H]2c3ccccc3O[C@@H]2C)cc1 ZINC001589512817 987152715 /nfs/dbraw/zinc/15/27/15/987152715.db2.gz LYJHRVSAJHKFTI-JKDFXYPNSA-N -1 0 340.379 3.518 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cc3c(ccnc3Cl)o2)cc1 ZINC001589521267 987165454 /nfs/dbraw/zinc/16/54/54/987165454.db2.gz MFZOCWZXLSTMJA-SECBINFHSA-N -1 0 344.754 3.922 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1 ZINC001589521696 987168994 /nfs/dbraw/zinc/16/89/94/987168994.db2.gz SIJMTVUEBMJXSW-SECBINFHSA-N -1 0 338.285 3.541 20 0 EHADRM CCC(=O)c1cc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)ccc1F ZINC001594718883 987200265 /nfs/dbraw/zinc/20/02/65/987200265.db2.gz ZDATUVYKNLQEPC-UHFFFAOYSA-N -1 0 343.354 3.986 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cncnc2-c2ccccc2)c1 ZINC001589531525 987204391 /nfs/dbraw/zinc/20/43/91/987204391.db2.gz GPDVTLRAMXOERO-CYBMUJFWSA-N -1 0 347.374 3.584 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cnnc(-c3ccccc3)c2)c1 ZINC001589532793 987218217 /nfs/dbraw/zinc/21/82/17/987218217.db2.gz VXZQDRKSAKXTOD-ZDUSSCGKSA-N -1 0 347.374 3.584 20 0 EHADRM CCS[C@@H](C)c1noc(CNc2cc(C(=O)[O-])c(C)cc2C)n1 ZINC001597252988 987252440 /nfs/dbraw/zinc/25/24/40/987252440.db2.gz YCVJSSZLMBIHDZ-NSHDSACASA-N -1 0 335.429 3.811 20 0 EHADRM CCS[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(C(=O)[O-])s2)C1 ZINC001597256282 987257633 /nfs/dbraw/zinc/25/76/33/987257633.db2.gz JRIXTGLHAIIIDL-NXEZZACHSA-N -1 0 328.459 3.632 20 0 EHADRM CC[C@@H](C(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1)c1ccc(OC)cc1 ZINC001594734209 987259727 /nfs/dbraw/zinc/25/97/27/987259727.db2.gz PSMJSTXDZQZBNS-UZLBHIALSA-N -1 0 347.455 3.729 20 0 EHADRM C[C@@H](C(=O)OCc1ccoc1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001589547851 987272623 /nfs/dbraw/zinc/27/26/23/987272623.db2.gz UELJDYYSNTXPMB-SECBINFHSA-N -1 0 342.269 3.844 20 0 EHADRM CCSCc1ccc(NC(=O)NCc2cc(C)c(C(=O)[O-])o2)cc1 ZINC001597264951 987293769 /nfs/dbraw/zinc/29/37/69/987293769.db2.gz FHAJSGHACXVXIR-UHFFFAOYSA-N -1 0 348.424 3.861 20 0 EHADRM CCSCc1cccc(NC(=O)c2ccsc2CC(=O)[O-])c1 ZINC001597265323 987295637 /nfs/dbraw/zinc/29/56/37/987295637.db2.gz PIIWEWRNOGHQQK-UHFFFAOYSA-N -1 0 335.450 3.881 20 0 EHADRM CCSCc1ccccc1C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC001597265410 987296772 /nfs/dbraw/zinc/29/67/72/987296772.db2.gz UGJBRNQWAIQIFY-MAUKXSAKSA-N -1 0 335.469 3.703 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001597273008 987324957 /nfs/dbraw/zinc/32/49/57/987324957.db2.gz NVZVLTHYPQVLRD-ONGXEEELSA-N -1 0 342.848 3.779 20 0 EHADRM CCSc1cccc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC001597273349 987328098 /nfs/dbraw/zinc/32/80/98/987328098.db2.gz RMJRXKYCKVFHAS-GUYCJALGSA-N -1 0 343.448 3.990 20 0 EHADRM CCSc1cccc(CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC001597277308 987334079 /nfs/dbraw/zinc/33/40/79/987334079.db2.gz LHLRGJFECKCRDF-UHFFFAOYSA-N -1 0 347.480 3.840 20 0 EHADRM CCSc1cccnc1C(=O)Nc1ccc(C(=O)[O-])cc1CC ZINC001597280262 987351387 /nfs/dbraw/zinc/35/13/87/987351387.db2.gz WSJYPCHEXHGSRW-UHFFFAOYSA-N -1 0 330.409 3.707 20 0 EHADRM CC(C)(C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-])C1CCCCC1 ZINC001589580479 987360595 /nfs/dbraw/zinc/36/05/95/987360595.db2.gz RKUIBDFIBPHZNY-MRXNPFEDSA-N -1 0 335.419 3.544 20 0 EHADRM CC(C)(C(=O)N[C@H]1CC[C@H]1C(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC001589580990 987361797 /nfs/dbraw/zinc/36/17/97/987361797.db2.gz VHDPCAKCOMWCGL-MSOLQXFVSA-N -1 0 337.419 3.611 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)[C@H]1CCCCC1(F)F)c1ccccc1 ZINC001589591549 987397425 /nfs/dbraw/zinc/39/74/25/987397425.db2.gz LDOFQPPPAOTBJA-ZIAGYGMSSA-N -1 0 339.382 3.780 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)NCC1=CCCCC1)c1ccccc1 ZINC001589594715 987412380 /nfs/dbraw/zinc/41/23/80/987412380.db2.gz RCNKWECEDDQRES-MRXNPFEDSA-N -1 0 330.428 3.638 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cc(C(F)F)ccc2F)C1 ZINC001589611291 987462046 /nfs/dbraw/zinc/46/20/46/987462046.db2.gz FDQQTMHPVJUWRK-LLVKDONJSA-N -1 0 343.345 3.726 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cccc(C(F)F)c2F)C1 ZINC001589611988 987471257 /nfs/dbraw/zinc/47/12/57/987471257.db2.gz NPDJQMDAOBRKLK-JTQLQIEISA-N -1 0 343.345 3.726 20 0 EHADRM CC(C)(C(=O)[O-])N(Cc1ccccc1)C(=O)c1ccc(Cl)s1 ZINC001589617056 987488808 /nfs/dbraw/zinc/48/88/08/987488808.db2.gz UDIYRBYXBLXGHL-UHFFFAOYSA-N -1 0 337.828 3.907 20 0 EHADRM CC(C)(C(=O)[O-])N(Cc1ccccc1)C(=O)/C=C/c1cccc(F)c1 ZINC001589617239 987490705 /nfs/dbraw/zinc/49/07/05/987490705.db2.gz XPZVXDSLAQINHS-VAWYXSNFSA-N -1 0 341.382 3.731 20 0 EHADRM CCc1[nH]c(C(=O)N2CC3(CCCC3)[C@H]2C(C)C)c(C)c1C(=O)[O-] ZINC001597357624 987508009 /nfs/dbraw/zinc/50/80/09/987508009.db2.gz DTFKQFBJJVMZMZ-MRXNPFEDSA-N -1 0 332.444 3.625 20 0 EHADRM CCc1[nH]c(C(=O)N2CCC[C@@]2(C)c2ccccc2)c(C)c1C(=O)[O-] ZINC001597361035 987516321 /nfs/dbraw/zinc/51/63/21/987516321.db2.gz LBMAPPOTTGQXRH-FQEVSTJZSA-N -1 0 340.423 3.735 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CCC[C@@H](OC2CCC2)C1 ZINC000655285499 1015315761 /nfs/dbraw/zinc/31/57/61/1015315761.db2.gz GAJQGDLWUMBQIG-GFCCVEGCSA-N -1 0 343.345 3.585 20 0 EHADRM CCc1[nH]c(C(=O)Nc2ccc(COC(C)C)cc2)c(C)c1C(=O)[O-] ZINC001597373018 987557161 /nfs/dbraw/zinc/55/71/61/987557161.db2.gz MPPZFSWSVNQPMH-UHFFFAOYSA-N -1 0 344.411 3.761 20 0 EHADRM CCc1[nH]c(CNc2ccc3c(c2)[C@@H](O)CCCC3)cc1C(=O)[O-] ZINC001597398882 987654714 /nfs/dbraw/zinc/65/47/14/987654714.db2.gz XDSGRXPPPPTQHJ-SFHVURJKSA-N -1 0 328.412 3.647 20 0 EHADRM CCc1c(C(=O)Nc2ccc(C(=O)[O-])cc2F)cnn1C(CC)CC ZINC001597411686 987701502 /nfs/dbraw/zinc/70/15/02/987701502.db2.gz KDPWAAOSMQJKNG-UHFFFAOYSA-N -1 0 347.390 3.896 20 0 EHADRM CCc1c(C(=O)Nc2c(C)sc(C)c2C(=O)[O-])[nH]c(C)c1C(C)=O ZINC001597411877 987704036 /nfs/dbraw/zinc/70/40/36/987704036.db2.gz XQYQFPPPSCBJDK-UHFFFAOYSA-N -1 0 348.424 3.717 20 0 EHADRM CC(C)(C(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21)C(F)(F)F ZINC001589681144 987709618 /nfs/dbraw/zinc/70/96/18/987709618.db2.gz UKWXCHRFRMWDGF-LBPRGKRZSA-N -1 0 330.302 3.894 20 0 EHADRM CCc1c(NCc2ncc(C(=O)[O-])s2)cnn1-c1ccccc1C ZINC001597420178 987732395 /nfs/dbraw/zinc/73/23/95/987732395.db2.gz XPGXFCMIJXSUSW-UHFFFAOYSA-N -1 0 342.424 3.510 20 0 EHADRM CCc1cc(C(=O)NC[C@H](CC)C(=O)[O-])sc1-c1ccccc1 ZINC001597429434 987763493 /nfs/dbraw/zinc/76/34/93/987763493.db2.gz DKKHXMXVXIOTLB-ZDUSSCGKSA-N -1 0 331.437 3.818 20 0 EHADRM CCc1cc(C(=O)N[C@@H](CC(=O)[O-])C2CC2)sc1-c1ccccc1 ZINC001597429708 987767000 /nfs/dbraw/zinc/76/70/00/987767000.db2.gz PEBMVRDTYMABIR-HNNXBMFYSA-N -1 0 343.448 3.961 20 0 EHADRM CCc1cc(C(=O)N[C@@H](CC2CC2)C(=O)[O-])sc1-c1ccccc1 ZINC001597429964 987769065 /nfs/dbraw/zinc/76/90/65/987769065.db2.gz XLLYHKDRQMDZTO-HNNXBMFYSA-N -1 0 343.448 3.961 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)N2CCCc3occc3C2)s1 ZINC001597442559 987806618 /nfs/dbraw/zinc/80/66/18/987806618.db2.gz DOBZIRXZGCUAEN-UHFFFAOYSA-N -1 0 334.397 3.582 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)c1ccnc2cc(Cl)ccc21 ZINC001589704387 987811084 /nfs/dbraw/zinc/81/10/84/987811084.db2.gz KIKAZWANLPZSCR-AWEZNQCLSA-N -1 0 334.803 3.507 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCC[C@@]1(C)C[C@@]1(F)Cl ZINC001597457926 987878590 /nfs/dbraw/zinc/87/85/90/987878590.db2.gz PMBKJVKTOFJZJD-HOTGVXAUSA-N -1 0 342.798 3.773 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCC[C@@]1(C)C[C@]1(F)Cl ZINC001597457928 987878723 /nfs/dbraw/zinc/87/87/23/987878723.db2.gz PMBKJVKTOFJZJD-JKSUJKDBSA-N -1 0 342.798 3.773 20 0 EHADRM CC(C)(C)C1CCC(=CC(=O)Nc2cc(C(=O)[O-])c[nH]c2=O)CC1 ZINC001589726414 987908398 /nfs/dbraw/zinc/90/83/98/987908398.db2.gz KNFVZTOYYGNEOF-UHFFFAOYSA-N -1 0 332.400 3.587 20 0 EHADRM CC(C)(C)C1CCC(CNC(=O)Nc2ccc(C(=O)[O-])cn2)CC1 ZINC001589728156 987927942 /nfs/dbraw/zinc/92/79/42/987927942.db2.gz FJGXBKZGDYGEQF-UHFFFAOYSA-N -1 0 333.432 3.754 20 0 EHADRM CC(C)(C)[C@H]1CCC[C@H](NS(=O)(=O)CCCCCC(=O)[O-])CC1 ZINC001589728494 987934149 /nfs/dbraw/zinc/93/41/49/987934149.db2.gz MROBAAMQKYASOL-GJZGRUSLSA-N -1 0 347.521 3.546 20 0 EHADRM CC(C)(C)[C@H]1CCC[C@@](NC(=O)CCC(=O)[O-])(C(F)(F)F)CC1 ZINC001589728513 987934442 /nfs/dbraw/zinc/93/44/42/987934442.db2.gz NABJGJFEHDGZOX-NHYWBVRUSA-N -1 0 337.382 3.895 20 0 EHADRM CCc1cc(NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)ccc1F ZINC001597482057 987975977 /nfs/dbraw/zinc/97/59/77/987975977.db2.gz YXMVVOZEWFLWBQ-UHFFFAOYSA-N -1 0 328.343 3.634 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)/C=C\c1ccc(F)c2ccccc12)C(=O)[O-] ZINC001589743111 988021414 /nfs/dbraw/zinc/02/14/14/988021414.db2.gz DDAHMXOKCWDONY-CCCPALQASA-N -1 0 343.398 3.998 20 0 EHADRM CCc1ccc(-c2nc(C(=O)NC(CC)(CC)C(=O)[O-])cs2)cc1 ZINC001597492639 988030759 /nfs/dbraw/zinc/03/07/59/988030759.db2.gz SARVTBZEVLBLOP-UHFFFAOYSA-N -1 0 346.452 3.746 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)CCCc1ccc2c(c1)CCCC2)C(=O)[O-] ZINC001589743795 988031417 /nfs/dbraw/zinc/03/14/17/988031417.db2.gz XIXCUEZBCSMMTG-SFHVURJKSA-N -1 0 345.483 3.894 20 0 EHADRM CCc1ccc(C(=O)COc2cc(C=CC(=O)[O-])ccc2OC)cc1 ZINC001597499040 988050083 /nfs/dbraw/zinc/05/00/83/988050083.db2.gz WEJTYSYCDPXGFH-XFFZJAGNSA-N -1 0 340.375 3.617 20 0 EHADRM CCc1ccc(C(=O)N(Cc2ccccc2)[C@H](C)C(=O)[O-])cc1CC ZINC001597498933 988050158 /nfs/dbraw/zinc/05/01/58/988050158.db2.gz SVWXXPOAUCMYSF-OAHLLOKOSA-N -1 0 339.435 3.927 20 0 EHADRM CSCC1(CC(=O)Nc2cccc(SCCC(=O)[O-])c2)CC1 ZINC001599793533 988053221 /nfs/dbraw/zinc/05/32/21/988053221.db2.gz NDZGBTQAGRNZQL-UHFFFAOYSA-N -1 0 339.482 3.725 20 0 EHADRM CCc1ccc(C(=O)[O-])c(OC(=O)c2ccnc(C(F)(F)F)c2)c1 ZINC001597506402 988075923 /nfs/dbraw/zinc/07/59/23/988075923.db2.gz DKIPOEYPNNVBJD-UHFFFAOYSA-N -1 0 339.269 3.580 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)c1cc(F)c(Cl)nc1Cl)C(=O)[O-] ZINC001589761776 988091078 /nfs/dbraw/zinc/09/10/78/988091078.db2.gz KVQVEEHAJYGOCT-QMMMGPOBSA-N -1 0 338.162 3.574 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N[C@@]2(C(=O)[O-])CCCC(C)(C)C2)cc1 ZINC001597511540 988091356 /nfs/dbraw/zinc/09/13/56/988091356.db2.gz BVPHTXRYAQYGTG-XOBRGWDASA-N -1 0 331.456 3.892 20 0 EHADRM CSCC[C@H](OC(=O)c1cccc(Nc2ccccc2)c1)C(=O)[O-] ZINC001599797383 988119375 /nfs/dbraw/zinc/11/93/75/988119375.db2.gz BUWDTSORNDGNJV-INIZCTEOSA-N -1 0 345.420 3.793 20 0 EHADRM CCc1ccc([C@@H]2C[C@H](C)CCN2Cc2nc(C(=O)[O-])cs2)o1 ZINC001597516573 988128860 /nfs/dbraw/zinc/12/88/60/988128860.db2.gz DQRRJSVSGJJUNE-RISCZKNCSA-N -1 0 334.441 3.970 20 0 EHADRM CCc1ccc([C@@H]2CCN(C(=O)c3ccc(C(=O)[O-])cc3F)C2)cc1 ZINC001597518520 988138317 /nfs/dbraw/zinc/13/83/17/988138317.db2.gz VIRSVTROIXCCDD-MRXNPFEDSA-N -1 0 341.382 3.716 20 0 EHADRM CC(C)(C)CN(CC(C)(C)C)C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001589780182 988149372 /nfs/dbraw/zinc/14/93/72/988149372.db2.gz QBZPMHCOFYVHKE-UHFFFAOYSA-N -1 0 335.448 3.635 20 0 EHADRM CC(C)(C)Cc1csc(NC(=O)c2cccc(CC(=O)[O-])c2)n1 ZINC001589788779 988171582 /nfs/dbraw/zinc/17/15/82/988171582.db2.gz DYHVMYTULJVERY-UHFFFAOYSA-N -1 0 332.425 3.611 20 0 EHADRM CCc1ccc(NC(=O)CCc2ccc3[nH]ccc3c2)c(C(=O)[O-])c1 ZINC001597542998 988235290 /nfs/dbraw/zinc/23/52/90/988235290.db2.gz OHNUBADVPOGJOV-UHFFFAOYSA-N -1 0 336.391 4.000 20 0 EHADRM CCc1ccc(NC(=O)N2CCC(c3ccco3)CC2)c(C(=O)[O-])c1 ZINC001597546695 988252278 /nfs/dbraw/zinc/25/22/78/988252278.db2.gz BKHVFYYETFGIHV-UHFFFAOYSA-N -1 0 342.395 3.952 20 0 EHADRM CCc1ccc(NC(=O)Nc2nc3c(s2)CC[C@H](C(=O)[O-])C3)cc1 ZINC001597546976 988254546 /nfs/dbraw/zinc/25/45/46/988254546.db2.gz OXCSTZOFFNPTRF-NSHDSACASA-N -1 0 345.424 3.539 20 0 EHADRM CSc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C)cc2)ccc1F ZINC001599806263 988261256 /nfs/dbraw/zinc/26/12/56/988261256.db2.gz BGYKBALEZLAZNG-HNNXBMFYSA-N -1 0 347.411 3.802 20 0 EHADRM CSc1cc(C)c(C(=O)N2CCCc3c(C(=O)[O-])ccc(C)c32)o1 ZINC001599808784 988299122 /nfs/dbraw/zinc/29/91/22/988299122.db2.gz SDEGZSXQCIPAKW-UHFFFAOYSA-N -1 0 345.420 3.910 20 0 EHADRM CCc1oc(CN[C@@H]2CCOc3ccc(CC)cc32)cc1C(=O)[O-] ZINC001597567990 988319760 /nfs/dbraw/zinc/31/97/60/988319760.db2.gz BAEPOJLOFBXKSX-MRXNPFEDSA-N -1 0 329.396 3.716 20 0 EHADRM CCc1ccc2c(c1)[C@@H](Nc1nc(Cl)c(C(=O)[O-])s1)CCO2 ZINC001597568072 988321841 /nfs/dbraw/zinc/32/18/41/988321841.db2.gz DGQAVTPSRHDODD-JTQLQIEISA-N -1 0 338.816 3.993 20 0 EHADRM CC(C)(C)OC(=O)[C@@H](Sc1nc2ccc(C(=O)[O-])cc2o1)C1CC1 ZINC001589844329 988355785 /nfs/dbraw/zinc/35/57/85/988355785.db2.gz NSPCKWMXQJKCIM-ZDUSSCGKSA-N -1 0 349.408 3.738 20 0 EHADRM CSc1ccc(C)c(C(=O)Nc2cc(C)c(C(=O)[O-])c(C)n2)c1 ZINC001599812338 988358207 /nfs/dbraw/zinc/35/82/07/988358207.db2.gz UIIKUSAPXWUTDW-UHFFFAOYSA-N -1 0 330.409 3.679 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)[C@@H](C)Oc1cccc(C)c1 ZINC001597575561 988360394 /nfs/dbraw/zinc/36/03/94/988360394.db2.gz ABNALFFGRAZKHT-CYBMUJFWSA-N -1 0 327.380 3.662 20 0 EHADRM CSc1ccc(/C=C/C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)s1 ZINC001599812547 988362024 /nfs/dbraw/zinc/36/20/24/988362024.db2.gz MWZHHLLKTSSJEK-XAVKZTDYSA-N -1 0 347.461 3.768 20 0 EHADRM CCc1cccc(C(=O)O[C@H](c2ccc(C(=O)[O-])cc2)C(F)F)n1 ZINC001597578589 988374743 /nfs/dbraw/zinc/37/47/43/988374743.db2.gz HYWXKDRKBXPRFX-CQSZACIVSA-N -1 0 335.306 3.505 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC001599814538 988398251 /nfs/dbraw/zinc/39/82/51/988398251.db2.gz OSQYUYITJMFCCP-JTQLQIEISA-N -1 0 342.848 3.684 20 0 EHADRM CSc1ccc(Cl)c(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC001599814678 988401148 /nfs/dbraw/zinc/40/11/48/988401148.db2.gz NANANCWSXJYIAE-UWVGGRQHSA-N -1 0 327.833 3.891 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001599815004 988406403 /nfs/dbraw/zinc/40/64/03/988406403.db2.gz YXIDNAPBCHVPHT-UHFFFAOYSA-N -1 0 325.773 3.914 20 0 EHADRM CSc1ccc(Cl)c(C(=O)Nc2nc(C)c(C(=O)[O-])s2)c1 ZINC001599815103 988408550 /nfs/dbraw/zinc/40/85/50/988408550.db2.gz XUEGZMFPXLYZBO-UHFFFAOYSA-N -1 0 342.829 3.777 20 0 EHADRM CSc1ccc(NC(=O)CNc2c(C)cccc2C)cc1C(=O)[O-] ZINC001599815588 988418217 /nfs/dbraw/zinc/41/82/17/988418217.db2.gz OJZIWEKURSPLJF-UHFFFAOYSA-N -1 0 344.436 3.774 20 0 EHADRM CSc1ccc(NC(=O)[C@@H]2CCc3cc(F)ccc32)cc1C(=O)[O-] ZINC001599816289 988430572 /nfs/dbraw/zinc/43/05/72/988430572.db2.gz SYZCTFYFHFDEOG-CQSZACIVSA-N -1 0 345.395 3.914 20 0 EHADRM CCc1cccc2c1OCC[C@@H]2NC(=O)Nc1ccc(C(=O)[O-])s1 ZINC001597603872 988475312 /nfs/dbraw/zinc/47/53/12/988475312.db2.gz XNNUFZSVKOGNFE-LBPRGKRZSA-N -1 0 346.408 3.654 20 0 EHADRM CCc1ccccc1CC(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC001597609657 988498358 /nfs/dbraw/zinc/49/83/58/988498358.db2.gz UIQIXRWJRUMWFO-UHFFFAOYSA-N -1 0 330.405 3.574 20 0 EHADRM CCc1ccccc1CCOc1ccc(/C=C/C(=O)[O-])cc1OC ZINC001597609923 988502461 /nfs/dbraw/zinc/50/24/61/988502461.db2.gz XXTWKIFUHQWJIC-PKNBQFBNSA-N -1 0 326.392 3.977 20 0 EHADRM O=C(c1cccc(Br)c1[O-])N1CCC[C@H](C2CCC2)C1 ZINC000620207165 1125503249 /nfs/dbraw/zinc/50/32/49/1125503249.db2.gz YWRLKIDTXMBPAT-LBPRGKRZSA-N -1 0 338.245 3.807 20 0 EHADRM CCc1ccccc1OCC(=O)Oc1cc(Cl)ccc1C(=O)[O-] ZINC001597616864 988540548 /nfs/dbraw/zinc/54/05/48/988540548.db2.gz QNEABPIDOREUEN-UHFFFAOYSA-N -1 0 334.755 3.585 20 0 EHADRM CSc1ccccc1C(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1 ZINC001599823290 988552611 /nfs/dbraw/zinc/55/26/11/988552611.db2.gz LUOMVLCLMHRJSX-HNNXBMFYSA-N -1 0 329.421 3.663 20 0 EHADRM CSc1cnc(Nc2cccc(CSCCC(=O)[O-])c2)nc1 ZINC001599827196 988614474 /nfs/dbraw/zinc/61/44/74/988614474.db2.gz KVHMHYGHSSBCTL-UHFFFAOYSA-N -1 0 335.454 3.650 20 0 EHADRM C[C@@H](CC(=O)[O-])OC(=O)CCCc1cc(Cl)sc1Cl ZINC001599834088 988716807 /nfs/dbraw/zinc/71/68/07/988716807.db2.gz ZEENXJWFHSMEJE-ZETCQYMHSA-N -1 0 325.213 3.784 20 0 EHADRM C[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC001599837922 988774901 /nfs/dbraw/zinc/77/49/01/988774901.db2.gz SREHULVLJPRGTC-MGPUTAFESA-N -1 0 347.414 3.961 20 0 EHADRM C[C@@H](NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1cc(Cl)ccc1Cl ZINC001599840389 988816935 /nfs/dbraw/zinc/81/69/35/988816935.db2.gz RRGIVTGTCLOILE-KKZNHRDASA-N -1 0 345.226 3.607 20 0 EHADRM CCc1nc(NC(=O)c2ccc(COC(C)C)cc2)sc1C(=O)[O-] ZINC001597682193 988820739 /nfs/dbraw/zinc/82/07/39/988820739.db2.gz UHYPOLQQXGKSHG-UHFFFAOYSA-N -1 0 348.424 3.581 20 0 EHADRM CCc1nc2ccccc2c(SCc2cncc(C(=O)[O-])c2)n1 ZINC001597689049 988855570 /nfs/dbraw/zinc/85/55/70/988855570.db2.gz CAIIVKKLEBCRJZ-UHFFFAOYSA-N -1 0 325.393 3.578 20 0 EHADRM CCc1nc2ccccc2c(C(=O)Nc2cccc(C(=O)[O-])c2N)c1C ZINC001597690272 988867714 /nfs/dbraw/zinc/86/77/14/988867714.db2.gz CGWRLVJZUYHFJG-UHFFFAOYSA-N -1 0 349.390 3.638 20 0 EHADRM C[C@@H](OC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC001599845798 988928762 /nfs/dbraw/zinc/92/87/62/988928762.db2.gz WQZQOROZMDZULJ-JLLWLGSASA-N -1 0 330.302 3.811 20 0 EHADRM CCc1noc(C)c1C(=O)Oc1cccc2c(CC(=O)[O-])cccc12 ZINC001597741872 989102480 /nfs/dbraw/zinc/10/24/80/989102480.db2.gz FRCPAPFTEJRDTI-UHFFFAOYSA-N -1 0 339.347 3.545 20 0 EHADRM CCc1oc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1C(=O)[O-] ZINC001597798383 989366484 /nfs/dbraw/zinc/36/64/84/989366484.db2.gz CHKUDILELQSSKU-QGZVFWFLSA-N -1 0 349.814 3.767 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)Cc1ccc(C2CCCCC2)cc1 ZINC001599877409 989436908 /nfs/dbraw/zinc/43/69/08/989436908.db2.gz WVMSEVOARGRYCM-DNVCBOLYSA-N -1 0 343.467 3.989 20 0 EHADRM CCn1c(C(=O)N2CCc3cc(C(=O)[O-])ccc3C2)cc2ccccc21 ZINC001597835994 989519720 /nfs/dbraw/zinc/51/97/20/989519720.db2.gz GAPQMLUWBHFMOW-UHFFFAOYSA-N -1 0 348.402 3.558 20 0 EHADRM CCn1cc(CC(=O)OCc2ccsc2C(=O)[O-])c2ccccc21 ZINC001597884770 989722503 /nfs/dbraw/zinc/72/25/03/989722503.db2.gz VULPOZRQNABEKH-UHFFFAOYSA-N -1 0 343.404 3.707 20 0 EHADRM CC(C)(C)O[C@@H]1C[C@H]1C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001590397056 989925367 /nfs/dbraw/zinc/92/53/67/989925367.db2.gz FYFOUGSBBDLBDH-HZPDHXFCSA-N -1 0 327.380 3.680 20 0 EHADRM CC(C)(C)Oc1ccc(-c2noc(-c3cccc(C(=O)[O-])c3)n2)nc1 ZINC001590409477 989947457 /nfs/dbraw/zinc/94/74/57/989947457.db2.gz KSRMAQGGFSVQOA-UHFFFAOYSA-N -1 0 339.351 3.674 20 0 EHADRM CC(C)(C)Oc1ccccc1CNC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001590420074 989962977 /nfs/dbraw/zinc/96/29/77/989962977.db2.gz MKROYVVKSLZLRW-UHFFFAOYSA-N -1 0 342.395 3.884 20 0 EHADRM CC(C)(C)Oc1cccc(COc2ccc(C(=O)[O-])cc2C=O)c1 ZINC001590420257 989963779 /nfs/dbraw/zinc/96/37/79/989963779.db2.gz QNXPPVVQUZSMNR-UHFFFAOYSA-N -1 0 328.364 3.954 20 0 EHADRM CC(C)(C)Oc1cccc(NC(=O)Nc2cc(C(=O)[O-])ccn2)c1 ZINC001590420463 989965032 /nfs/dbraw/zinc/96/50/32/989965032.db2.gz UMNCHEYRGHBJOX-UHFFFAOYSA-N -1 0 329.356 3.601 20 0 EHADRM CC(C)(C)Sc1ccc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cc1F ZINC001590435027 989994315 /nfs/dbraw/zinc/99/43/15/989994315.db2.gz RXSWNTNGPDZRJU-JGZJWPJOSA-N -1 0 340.420 3.701 20 0 EHADRM CC(C)(C)c1cc(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)no1 ZINC001590453918 990018441 /nfs/dbraw/zinc/01/84/41/990018441.db2.gz GLDSQANHTCDBQQ-UHFFFAOYSA-N -1 0 340.738 3.715 20 0 EHADRM CC(C)(C)c1ccc(C(=O)NCc2ccc(C(=O)[O-])nc2)cc1Cl ZINC001590475049 990047538 /nfs/dbraw/zinc/04/75/38/990047538.db2.gz DQBNPTXBZZOMJJ-UHFFFAOYSA-N -1 0 346.814 3.661 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)nc1 ZINC001590475353 990049305 /nfs/dbraw/zinc/04/93/05/990049305.db2.gz LCKZPDKATCLOFK-INIZCTEOSA-N -1 0 340.423 3.715 20 0 EHADRM CC(C)(C)c1ccc(CC(=O)NC2(C(=O)[O-])CCCCCC2)cc1 ZINC001590479466 990052739 /nfs/dbraw/zinc/05/27/39/990052739.db2.gz BMOVRJQDMFVXRF-UHFFFAOYSA-N -1 0 331.456 3.820 20 0 EHADRM CC(C)(C)c1ccc(C(=O)OCc2nc(C(=O)[O-])cs2)s1 ZINC001590481740 990075896 /nfs/dbraw/zinc/07/58/96/990075896.db2.gz RKFMFVHZCKOILZ-UHFFFAOYSA-N -1 0 325.411 3.557 20 0 EHADRM CC(C)(C)c1ccc(CC(=O)NCc2ccc(C(=O)[O-])s2)cc1 ZINC001590484755 990079936 /nfs/dbraw/zinc/07/99/36/990079936.db2.gz FVJWCHQEZOKLCH-UHFFFAOYSA-N -1 0 331.437 3.603 20 0 EHADRM CC(C)(C)c1ccc(CCC(=O)Nc2cccc(C(=O)[O-])n2)cc1 ZINC001590485174 990082226 /nfs/dbraw/zinc/08/22/26/990082226.db2.gz QPKCJQRPWWTFLA-UHFFFAOYSA-N -1 0 326.396 3.649 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)NCCCCC2(C(=O)[O-])CCC2)cn1 ZINC001590493585 990096830 /nfs/dbraw/zinc/09/68/30/990096830.db2.gz MHQVLAZTLLYYGJ-UHFFFAOYSA-N -1 0 347.459 3.926 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCN(C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)C2 ZINC001590501033 990116485 /nfs/dbraw/zinc/11/64/85/990116485.db2.gz PHIFTECWRXTWIU-HOTGVXAUSA-N -1 0 343.467 3.760 20 0 EHADRM CN(C(=O)/C=C/c1ccc(C(C)(C)C)cc1)C1(C(=O)[O-])CCCC1 ZINC001598005894 990156812 /nfs/dbraw/zinc/15/68/12/990156812.db2.gz HGUKOYNASPNEDN-FMIVXFBMSA-N -1 0 329.440 3.853 20 0 EHADRM CC(C)(C)c1nc(NC(=O)[C@H]2CCC[C@H](F)C2)sc1C(=O)[O-] ZINC001590542072 990169339 /nfs/dbraw/zinc/16/93/39/990169339.db2.gz NFFQKXUIAPTSDA-IUCAKERBSA-N -1 0 328.409 3.606 20 0 EHADRM CN(C(=O)Cc1ccccc1C(=O)[O-])C1CCC(C(C)(C)C)CC1 ZINC001598037248 990265391 /nfs/dbraw/zinc/26/53/91/990265391.db2.gz VWUVEHOMJMUEFN-UHFFFAOYSA-N -1 0 331.456 3.991 20 0 EHADRM CC(C)(CC(=O)N(CC(=O)[O-])c1cccc(F)c1)CC(F)(F)F ZINC001590616543 990292855 /nfs/dbraw/zinc/29/28/55/990292855.db2.gz GUTXPXWWCUKTKW-UHFFFAOYSA-N -1 0 335.297 3.612 20 0 EHADRM CN(C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])[C@H]1CCC[C@@H]1c1ccccc1 ZINC001598052189 990308835 /nfs/dbraw/zinc/30/88/35/990308835.db2.gz FXAIMTKADAXIDT-MLHJIOFPSA-N -1 0 344.455 3.608 20 0 EHADRM CN(C(=O)Nc1ccc(C(=O)[O-])c2ccccc12)[C@H]1CCSC1 ZINC001598057205 990324249 /nfs/dbraw/zinc/32/42/49/990324249.db2.gz SQHWLQFCSRFLAI-NSHDSACASA-N -1 0 330.409 3.507 20 0 EHADRM CN(C(=O)Nc1cccc2cc(C(=O)[O-])sc21)c1cccc(O)c1 ZINC001598062191 990337039 /nfs/dbraw/zinc/33/70/39/990337039.db2.gz UTXSLWNBPMGWMT-UHFFFAOYSA-N -1 0 342.376 3.973 20 0 EHADRM CC(C)(CCNC(=O)C(C)(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC001590670373 990369394 /nfs/dbraw/zinc/36/93/94/990369394.db2.gz PRJHOJYROPEHFQ-UHFFFAOYSA-N -1 0 339.435 3.610 20 0 EHADRM CC(C)(CNC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1)C1CCCCC1 ZINC001590706066 990449116 /nfs/dbraw/zinc/44/91/16/990449116.db2.gz GJKJSFXGPOOJSB-LAUBAEHRSA-N -1 0 343.467 3.968 20 0 EHADRM CC(C)(CNC(=O)N1CC[C@@](C)(CCc2ccccc2)C1)CC(=O)[O-] ZINC001590716020 990472993 /nfs/dbraw/zinc/47/29/93/990472993.db2.gz ISEIMPNQBNMIGO-HXUWFJFHSA-N -1 0 346.471 3.542 20 0 EHADRM CC(C)(CNC(=O)N1CCc2cc(C(=O)[O-])ccc2C1)C1CCCC1 ZINC001590717976 990488534 /nfs/dbraw/zinc/48/85/34/990488534.db2.gz DRRIVNBATSXFKD-UHFFFAOYSA-N -1 0 344.455 3.669 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000073838501 1015572922 /nfs/dbraw/zinc/57/29/22/1015572922.db2.gz OEMKUNAPMYIEGL-UHFFFAOYSA-N -1 0 337.363 3.723 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O ZINC001590822021 990661278 /nfs/dbraw/zinc/66/12/78/990661278.db2.gz PMNPOAZORPVPLG-UHFFFAOYSA-N -1 0 347.798 3.951 20 0 EHADRM CC(C)(NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)[C@@H]1CCCCO1 ZINC001590854952 990737801 /nfs/dbraw/zinc/73/78/01/990737801.db2.gz QESXVFVROXDLHY-ZDUSSCGKSA-N -1 0 340.807 3.507 20 0 EHADRM CC(C)(NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc2ccccc2c1 ZINC001590859062 990751180 /nfs/dbraw/zinc/75/11/80/990751180.db2.gz TWAQSNKOYBNWPE-JKSUJKDBSA-N -1 0 325.408 3.692 20 0 EHADRM CC(C)(NC(=O)c1ccc(C(=O)[O-])[nH]1)c1ccc(Cl)c(Cl)c1 ZINC001590861383 990751798 /nfs/dbraw/zinc/75/17/98/990751798.db2.gz AUEYVYCADJOWRD-UHFFFAOYSA-N -1 0 341.194 3.685 20 0 EHADRM CC(C)(c1csc(NC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)n1)c1ccccc1 ZINC001590909463 990880014 /nfs/dbraw/zinc/88/00/14/990880014.db2.gz XEGPRFWJLTVQMR-TXEJJXNPSA-N -1 0 344.436 3.518 20 0 EHADRM CC(C)=C(C)C(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001590912547 990887199 /nfs/dbraw/zinc/88/71/99/990887199.db2.gz LEBHKBGXOOXLAB-HNNXBMFYSA-N -1 0 330.211 3.766 20 0 EHADRM CC(C)=C[C@H]1[C@H](C(=O)Nc2cccnc2SCCC(=O)[O-])C1(C)C ZINC001590914229 990896709 /nfs/dbraw/zinc/89/67/09/990896709.db2.gz CLTLUDKCIVLIRU-SWLSCSKDSA-N -1 0 348.468 3.825 20 0 EHADRM CC(C)=CCC[C@@H](C)NC(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001590922067 990917407 /nfs/dbraw/zinc/91/74/07/990917407.db2.gz SNDXXRBQVRGQPO-CYBMUJFWSA-N -1 0 348.418 3.727 20 0 EHADRM COc1cccc(SCCN2C[C@@H](CC(=O)[O-])c3ccccc32)c1 ZINC001599684345 990963365 /nfs/dbraw/zinc/96/33/65/990963365.db2.gz UAYRJVMYCZAUNB-CQSZACIVSA-N -1 0 343.448 3.866 20 0 EHADRM CC(C)C(C)(C)C(=O)OCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001590963197 991064270 /nfs/dbraw/zinc/06/42/70/991064270.db2.gz BOVUFQVALHYWIR-UHFFFAOYSA-N -1 0 331.368 3.765 20 0 EHADRM CC(C)[C@H](C)N(CC(F)(F)F)C(=O)c1ccc(C(=O)[O-])cc1F ZINC001590974739 991114964 /nfs/dbraw/zinc/11/49/64/991114964.db2.gz XIWKGPHBUVTFMM-VIFPVBQESA-N -1 0 335.297 3.573 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)OCc1cc(C(=O)[O-])ccc1F ZINC001599696833 991160688 /nfs/dbraw/zinc/16/06/88/991160688.db2.gz CGNRSFYWVYLADK-LBPRGKRZSA-N -1 0 346.354 3.770 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1C(=O)[O-] ZINC001590993013 991209406 /nfs/dbraw/zinc/20/94/06/991209406.db2.gz DPLAEQWMFOXXBE-GOSISDBHSA-N -1 0 325.408 3.516 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)NC[C@H]1CCC=CCCC1 ZINC001598298074 991230062 /nfs/dbraw/zinc/23/00/62/991230062.db2.gz FXKIWPCCBAPLPN-AWEZNQCLSA-N -1 0 345.443 3.709 20 0 EHADRM CC(C)[C@@H](F)C(=O)N(C)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001590996608 991232887 /nfs/dbraw/zinc/23/28/87/991232887.db2.gz PFCSGOMDUYGZLV-VXGBXAGGSA-N -1 0 336.190 3.572 20 0 EHADRM COc1ccccc1[C@H]1CCCCN1C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001599704107 991266486 /nfs/dbraw/zinc/26/64/86/991266486.db2.gz NLSWMOYKPLZYMT-BFYDXBDKSA-N -1 0 345.439 3.640 20 0 EHADRM CN(C)c1cc(N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@H]23)cc(C(F)(F)F)c1 ZINC001598307734 991276824 /nfs/dbraw/zinc/27/68/24/991276824.db2.gz IJOTYUIGJXZNCN-FCIDVOKBSA-N -1 0 342.361 3.683 20 0 EHADRM CC(C)[C@H](NC(=O)NCC(C)(C)CC(=O)[O-])c1ccccc1Cl ZINC001591013139 991280427 /nfs/dbraw/zinc/28/04/27/991280427.db2.gz GUXRYLSTLZJMAD-HNNXBMFYSA-N -1 0 340.851 3.837 20 0 EHADRM CC(C)[C@H](NC(=O)Nc1cc(C(=O)[O-])ccn1)c1ccccc1Cl ZINC001591013244 991281572 /nfs/dbraw/zinc/28/15/72/991281572.db2.gz KRFUVGFZSJSDQD-HNNXBMFYSA-N -1 0 347.802 3.952 20 0 EHADRM CC(C)[C@H](NC(=O)Nc1cc(C(=O)[O-])n(C)c1)c1ccc(Cl)cc1 ZINC001591013466 991285041 /nfs/dbraw/zinc/28/50/41/991285041.db2.gz QSFJIQRYHARLTK-HNNXBMFYSA-N -1 0 349.818 3.896 20 0 EHADRM COc1ccccc1NC(=O)[C@@H](C)SCc1cc(C(=O)[O-])c(C)o1 ZINC001599714820 991435272 /nfs/dbraw/zinc/43/52/72/991435272.db2.gz IZLNGWZDKVGGJO-LLVKDONJSA-N -1 0 349.408 3.555 20 0 EHADRM COc1ccsc1/C=C(/C(=O)[O-])c1ncc(Br)s1 ZINC001599722516 991563935 /nfs/dbraw/zinc/56/39/35/991563935.db2.gz NBKOGKFTVTZRLL-GQCTYLIASA-N -1 0 346.227 3.601 20 0 EHADRM CC(C)C1CCC(CNC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)CC1 ZINC001591080426 991583495 /nfs/dbraw/zinc/58/34/95/991583495.db2.gz RFVSYCYXMJEOTM-UHFFFAOYSA-N -1 0 344.455 3.872 20 0 EHADRM CC(C)[C@@H]1C[C@@H]1C(=O)N(C)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001591081381 991591284 /nfs/dbraw/zinc/59/12/84/991591284.db2.gz YHHUTDDEPRWBOM-MJVIPROJSA-N -1 0 344.238 3.870 20 0 EHADRM CC(C)[C@@H]1CCC[C@@H](NC(=O)NCCCCCCC(=O)[O-])CC1 ZINC001591082551 991599771 /nfs/dbraw/zinc/59/97/71/991599771.db2.gz VJOMJJULAUNCTB-HZPDHXFCSA-N -1 0 326.481 3.926 20 0 EHADRM COc1cnc2ccccc2c1C(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001599725338 991612429 /nfs/dbraw/zinc/61/24/29/991612429.db2.gz FJSFGFOFZNOVEQ-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM CC(C)[C@@H]1CCCCCN1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001591089287 991631101 /nfs/dbraw/zinc/63/11/01/991631101.db2.gz UOFULGGGLBHTHV-KRWDZBQOSA-N -1 0 332.444 3.538 20 0 EHADRM CC(C)[C@H]1CN(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)[C@H]1C(C)C ZINC001591092914 991651205 /nfs/dbraw/zinc/65/12/05/991651205.db2.gz HBMPLEOSGBYISH-PBHICJAKSA-N -1 0 336.407 3.597 20 0 EHADRM CC(C)[C@H]1N(C(=O)CCc2ocnc2C(=O)[O-])CC12CCCCCC2 ZINC001591100204 991720914 /nfs/dbraw/zinc/72/09/14/991720914.db2.gz VHADLRPIHJLPPH-QGZVFWFLSA-N -1 0 348.443 3.513 20 0 EHADRM CC(C)[C@H]1N(C(=O)Cc2ccc(C(=O)[O-])cc2)CC12CCCCC2 ZINC001591100436 991724354 /nfs/dbraw/zinc/72/43/54/991724354.db2.gz YNZDNNSXZBPSIN-GOSISDBHSA-N -1 0 329.440 3.745 20 0 EHADRM CC(C)C[C@@H](C)OC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001591137450 991842185 /nfs/dbraw/zinc/84/21/85/991842185.db2.gz BCYFFWKMIOPYPR-RNCFNFMXSA-N -1 0 331.771 3.766 20 0 EHADRM CC(C)C[C@@H](C)OC(=O)N1CCCC[C@H]1c1ccc(C(=O)[O-])n1C ZINC001591138458 991858365 /nfs/dbraw/zinc/85/83/65/991858365.db2.gz YAWSGUIWRCRVPJ-HIFRSBDPSA-N -1 0 336.432 3.822 20 0 EHADRM CC(C)C[C@H](C)OC(=O)N(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001591138498 991858891 /nfs/dbraw/zinc/85/88/91/991858891.db2.gz ZMJMZENWKGKNRH-XPTSAGLGSA-N -1 0 347.333 3.733 20 0 EHADRM CC(C)C[C@H](C)OCCC(=O)N1CCCc2ccc(C(=O)[O-])cc21 ZINC001591138787 991861098 /nfs/dbraw/zinc/86/10/98/991861098.db2.gz UNGBZYOXRVPCIW-AWEZNQCLSA-N -1 0 333.428 3.505 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1cccc(F)c1C(C)(F)F)C(=O)[O-] ZINC001591150597 991892006 /nfs/dbraw/zinc/89/20/06/991892006.db2.gz HPIOWMYRYIPQKQ-JTQLQIEISA-N -1 0 346.349 3.806 20 0 EHADRM CC(C)N(Cc1cccc(Cl)c1)C(=O)NCCCCCC(=O)[O-] ZINC000414620285 1017069934 /nfs/dbraw/zinc/06/99/34/1017069934.db2.gz CXHYVLGPDRAZNI-UHFFFAOYSA-N -1 0 340.851 3.905 20 0 EHADRM CN(C[C@H]1CC=CCC1)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001598453438 991914238 /nfs/dbraw/zinc/91/42/38/991914238.db2.gz JIQQGNCYLXBZQO-RRQGHBQHSA-N -1 0 328.412 3.695 20 0 EHADRM CC(C)C[C@@H](NC(=O)NC[C@@H](CC(=O)[O-])C1CC1)c1ccccc1 ZINC001591178868 991978166 /nfs/dbraw/zinc/97/81/66/991978166.db2.gz WJBLRRMGTDPHKU-IAGOWNOFSA-N -1 0 332.444 3.574 20 0 EHADRM CC(C)C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC001591190979 991997952 /nfs/dbraw/zinc/99/79/52/991997952.db2.gz IRHCLTRNMPSTNT-LLVKDONJSA-N -1 0 326.805 3.981 20 0 EHADRM CC(C)CC1(CNC(=O)N2CCc3cccc(C(=O)[O-])c3C2)CCC1 ZINC001591196940 992014206 /nfs/dbraw/zinc/01/42/06/992014206.db2.gz OWBLKLCEAQIUAO-UHFFFAOYSA-N -1 0 344.455 3.669 20 0 EHADRM CC(C)C[C@H]1CCCCCN1C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001591205528 992030224 /nfs/dbraw/zinc/03/02/24/992030224.db2.gz JLFPEASSIJUFBX-CYBMUJFWSA-N -1 0 338.473 3.947 20 0 EHADRM CC(C)CC[C@H](C)NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001591217006 992071519 /nfs/dbraw/zinc/07/15/19/992071519.db2.gz CEPJBSPVWPHKRM-HOCLYGCPSA-N -1 0 334.460 3.962 20 0 EHADRM CC(C)CCC[C@H](C)NC(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001591229835 992114681 /nfs/dbraw/zinc/11/46/81/992114681.db2.gz WPENSCYZNSCNQT-JXFKEZNVSA-N -1 0 346.471 3.639 20 0 EHADRM CC(C)CCCCCC(=O)N[C@](C)(Cc1ccc(F)cc1)C(=O)[O-] ZINC001591236307 992115455 /nfs/dbraw/zinc/11/54/55/992115455.db2.gz BBRLCPHEFRHFTI-LJQANCHMSA-N -1 0 337.435 3.934 20 0 EHADRM CC(C)CCc1nc(CN2CCc3ccc(C(=O)[O-])cc32)cs1 ZINC001591270305 992188700 /nfs/dbraw/zinc/18/87/00/992188700.db2.gz OBEXZCNFGCEFBJ-UHFFFAOYSA-N -1 0 330.453 3.993 20 0 EHADRM CC(C)CCn1ccc(NC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)n1 ZINC001591277548 992203120 /nfs/dbraw/zinc/20/31/20/992203120.db2.gz XGJUGFYVESRMFD-ZDUSSCGKSA-N -1 0 344.415 3.761 20 0 EHADRM CC(C)CN(C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001591287127 992228591 /nfs/dbraw/zinc/22/85/91/992228591.db2.gz IFRJPQRLGLXSHP-ZDUSSCGKSA-N -1 0 346.349 3.519 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)[C@@H](C)c1c(F)cccc1F ZINC001591309603 992266865 /nfs/dbraw/zinc/26/68/65/992266865.db2.gz DBCQAYHVDKZMOD-LBPRGKRZSA-N -1 0 341.398 3.664 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1(Cc2ccccc2)CC1 ZINC001591309770 992268990 /nfs/dbraw/zinc/26/89/90/992268990.db2.gz HKGHMNPEPGWZRH-UHFFFAOYSA-N -1 0 331.456 3.605 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)CCOc1ccc2ccccc2c1 ZINC001591323734 992297738 /nfs/dbraw/zinc/29/77/38/992297738.db2.gz RVLUIMKWFVNDRK-UHFFFAOYSA-N -1 0 343.423 3.568 20 0 EHADRM CS[C@H](C(=O)NCC1(CC(=O)[O-])CCCCC1)c1ccccc1 ZINC001599779684 992348561 /nfs/dbraw/zinc/34/85/61/992348561.db2.gz DOQJRNNRFSHINZ-INIZCTEOSA-N -1 0 335.469 3.632 20 0 EHADRM CS[C@@H](C)CCC(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001599783380 992395015 /nfs/dbraw/zinc/39/50/15/992395015.db2.gz OVCXATZWJKSQQU-ZANVPECISA-N -1 0 349.374 3.636 20 0 EHADRM CC(C)CO[C@@H](C)C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)[O-] ZINC001591384625 992433839 /nfs/dbraw/zinc/43/38/39/992433839.db2.gz KCICJDYNQVCWTD-QMMMGPOBSA-N -1 0 334.199 3.691 20 0 EHADRM CC(C)CON(CC1CCCCC1)C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001591396963 992463899 /nfs/dbraw/zinc/46/38/99/992463899.db2.gz DQWNYRGDBADWKI-UHFFFAOYSA-N -1 0 349.431 3.782 20 0 EHADRM CC(C)COc1ccc(CC(=O)O[C@H](C)c2cc(C(=O)[O-])co2)cc1 ZINC001591401360 992472133 /nfs/dbraw/zinc/47/21/33/992472133.db2.gz JTQDMWBVZOUNEH-CYBMUJFWSA-N -1 0 346.379 3.860 20 0 EHADRM CC(C)C[C@@H]1C[C@H]1NC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001591444829 992544557 /nfs/dbraw/zinc/54/45/57/992544557.db2.gz XZVJFIBJQKUFEF-PRHODGIISA-N -1 0 328.771 3.733 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1F)c1ccccc1Br ZINC001598513117 992584829 /nfs/dbraw/zinc/58/48/29/992584829.db2.gz ANZOQOHEZDDZTB-UHFFFAOYSA-N -1 0 338.176 3.923 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)c1 ZINC001591489220 992619000 /nfs/dbraw/zinc/61/90/00/992619000.db2.gz OOHJNIOSKGOZEL-AVYPCKFXSA-N -1 0 331.456 3.558 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)NCc2ccoc2C(=O)[O-])c1 ZINC001591489410 992620644 /nfs/dbraw/zinc/62/06/44/992620644.db2.gz RIVCTLCQTVMEGN-ZDUSSCGKSA-N -1 0 329.396 3.596 20 0 EHADRM CN(Cc1ccc(OC(F)(F)F)cc1)[C@@H](C(=O)[O-])c1ccsc1 ZINC001598518868 992654146 /nfs/dbraw/zinc/65/41/46/992654146.db2.gz DMWJRVMYPDDUHE-CYBMUJFWSA-N -1 0 345.342 3.904 20 0 EHADRM CC(C)Cn1nc(-c2ccccc2)cc1NC(=O)CCCCC(=O)[O-] ZINC001591526085 992702073 /nfs/dbraw/zinc/70/20/73/992702073.db2.gz XHXSNPJWRUPWJR-UHFFFAOYSA-N -1 0 343.427 3.790 20 0 EHADRM CC(C)Cn1nccc1C=C(Cl)c1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001591533722 992712448 /nfs/dbraw/zinc/71/24/48/992712448.db2.gz XYWTWVKNJAEDSF-JYRVWZFOSA-N -1 0 344.802 3.851 20 0 EHADRM CC(C)N(C(=O)/C=C\c1cc(C(=O)[O-])co1)[C@@H](C)c1ccccc1 ZINC001591538708 992717595 /nfs/dbraw/zinc/71/75/95/992717595.db2.gz KWIJRSOTUZLKIP-CMUBDUJZSA-N -1 0 327.380 3.989 20 0 EHADRM CC(C)N(C(=O)/C=C/c1cc(C(=O)[O-])co1)[C@@H](C)c1ccccc1 ZINC001591538709 992717830 /nfs/dbraw/zinc/71/78/30/992717830.db2.gz KWIJRSOTUZLKIP-HBWSCVEGSA-N -1 0 327.380 3.989 20 0 EHADRM CN(Cc1cccc(OC2CC2)c1F)[C@H](C(=O)[O-])c1ccccc1 ZINC001598526393 992726258 /nfs/dbraw/zinc/72/62/58/992726258.db2.gz DNUNFLWPEJGCMC-SFHVURJKSA-N -1 0 329.371 3.625 20 0 EHADRM CN(Cc1cccc(C(=O)[O-])c1Cl)C[C@H]1OCCc2ccccc21 ZINC001598526863 992731094 /nfs/dbraw/zinc/73/10/94/992731094.db2.gz GWLRDMSIVQSVES-QGZVFWFLSA-N -1 0 345.826 3.784 20 0 EHADRM CN(Cc1ccsc1)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001598534517 992834584 /nfs/dbraw/zinc/83/45/84/992834584.db2.gz XVLIWNXQTPEHGF-LSDHHAIUSA-N -1 0 330.409 3.600 20 0 EHADRM CN(OCc1ccccc1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001598540246 992891590 /nfs/dbraw/zinc/89/15/90/992891590.db2.gz VPKBREFBBBSUFS-UHFFFAOYSA-N -1 0 342.395 3.644 20 0 EHADRM CN1CCCN(Cc2ccc(C(=O)[O-])c(Cl)c2)c2ccccc21 ZINC001598601291 993574404 /nfs/dbraw/zinc/57/44/04/993574404.db2.gz PQBIPWFAXNPLFN-UHFFFAOYSA-N -1 0 330.815 3.885 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@@](C)(C(=O)[O-])C1)c1cc2ccccc2s1 ZINC001593062615 993579151 /nfs/dbraw/zinc/57/91/51/993579151.db2.gz GVTHHYGMEAKREZ-KZULUSFZSA-N -1 0 346.452 3.859 20 0 EHADRM C[C@@H](NC(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1)C1CCCCC1 ZINC001593071484 993625017 /nfs/dbraw/zinc/62/50/17/993625017.db2.gz YFFVCDWZYJKIGN-GFCCVEGCSA-N -1 0 348.418 3.560 20 0 EHADRM COc1ccc(NC(=O)c2cc3ccccc3nc2C)c(C(=O)[O-])c1 ZINC001599593792 993722688 /nfs/dbraw/zinc/72/26/88/993722688.db2.gz LNZPOWAPIKZMMN-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM C[C@H](NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1)c1cccc2ccccc21 ZINC001593108313 993763469 /nfs/dbraw/zinc/76/34/69/993763469.db2.gz IOTCUTVFKWMJFT-LZWOXQAQSA-N -1 0 340.423 3.843 20 0 EHADRM COc1ccc(NCc2nnc(-c3ccccc3)s2)c(C(=O)[O-])c1 ZINC001599597547 993768322 /nfs/dbraw/zinc/76/83/22/993768322.db2.gz YGTGSZWRGCRSOG-UHFFFAOYSA-N -1 0 341.392 3.524 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1)C1CCCCC1 ZINC001593115943 993803778 /nfs/dbraw/zinc/80/37/78/993803778.db2.gz TUWODMWDVUEKSJ-LLVKDONJSA-N -1 0 329.400 3.956 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(C(=O)[O-])s1)C1CCC(F)(F)CC1 ZINC001593117821 993819931 /nfs/dbraw/zinc/81/99/31/993819931.db2.gz WKAJCJZAZFLEAC-QMMMGPOBSA-N -1 0 332.372 3.782 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(C(=O)[O-])nc1)c1cccc(C2CC2)c1 ZINC001593118066 993823068 /nfs/dbraw/zinc/82/30/68/993823068.db2.gz ZPXPNXYJCDRFPU-NSHDSACASA-N -1 0 325.368 3.540 20 0 EHADRM C[C@H](NC(=O)Nc1cccc(Cl)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001593118178 993825074 /nfs/dbraw/zinc/82/50/74/993825074.db2.gz FMIYYCQLQTXHHV-NSHDSACASA-N -1 0 348.786 3.686 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc(SCCC(=O)[O-])c1)c1cccnc1 ZINC001593118367 993828645 /nfs/dbraw/zinc/82/86/45/993828645.db2.gz KKECYSZMYGLFQR-GFCCVEGCSA-N -1 0 345.424 3.531 20 0 EHADRM COc1ccc(OCCSCc2c(OC)cccc2C(=O)[O-])cc1 ZINC001599607146 993901440 /nfs/dbraw/zinc/90/14/40/993901440.db2.gz YRUBBAFCLJFBSR-UHFFFAOYSA-N -1 0 348.420 3.714 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001593139444 993917054 /nfs/dbraw/zinc/91/70/54/993917054.db2.gz ZWIKDXYCDCRWCU-ZMLRMANQSA-N -1 0 327.783 3.547 20 0 EHADRM C[C@@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccc(-c2ccc(Cl)cc2)s1 ZINC001593141271 993927972 /nfs/dbraw/zinc/92/79/72/993927972.db2.gz UZJXKMMNPXCSEV-JIMOISOXSA-N -1 0 349.839 3.966 20 0 EHADRM C[C@@H](NC(=O)c1cc(C(=O)[O-])co1)c1ccc(F)c2ccccc21 ZINC001593148977 993950851 /nfs/dbraw/zinc/95/08/51/993950851.db2.gz AJSGTVWLROUCKE-SNVBAGLBSA-N -1 0 327.311 3.761 20 0 EHADRM C[C@@](NC(=O)c1cc2ccccc2cc1F)(C(=O)[O-])c1ccccc1 ZINC001593156834 993979764 /nfs/dbraw/zinc/97/97/64/993979764.db2.gz OURGVBYUDOWIMG-FQEVSTJZSA-N -1 0 337.350 3.709 20 0 EHADRM COc1ccc(S[C@H](C)c2nc(-c3cc(C(=O)[O-])co3)no2)cc1 ZINC001599618163 994045696 /nfs/dbraw/zinc/04/56/96/994045696.db2.gz CYEWXTNRHYFEMP-SECBINFHSA-N -1 0 346.364 3.890 20 0 EHADRM C[C@@H](N[C@H](C(=O)[O-])c1cccc(Cl)c1Cl)c1ccccn1 ZINC001593194710 994140640 /nfs/dbraw/zinc/14/06/40/994140640.db2.gz MAASMWFIQDYZAC-OTYXRUKQSA-N -1 0 325.195 3.865 20 0 EHADRM COc1ccc2c(c1)[C@H](C(=O)Nc1cc(C)c(C(=O)[O-])s1)CCC2 ZINC001599625631 994144091 /nfs/dbraw/zinc/14/40/91/994144091.db2.gz OLEDADXIDRSOFI-CYBMUJFWSA-N -1 0 345.420 3.822 20 0 EHADRM COc1ccc2c(c1)CCC[C@H]2N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001599628384 994182250 /nfs/dbraw/zinc/18/22/50/994182250.db2.gz KRKAKXQFFFTFMH-IINYFYTJSA-N -1 0 332.425 3.578 20 0 EHADRM C[C@@H](N[C@@H](C)c1ncc(C(=O)[O-])s1)c1nc2ccccc2s1 ZINC001593204280 994199385 /nfs/dbraw/zinc/19/93/85/994199385.db2.gz PBARDQLXFRCFEZ-DTWKUNHWSA-N -1 0 333.438 3.863 20 0 EHADRM C[C@@H](N[C@H](CO)c1cccc(Cl)c1Cl)c1ccc(C(=O)[O-])o1 ZINC001593208751 994229193 /nfs/dbraw/zinc/22/91/93/994229193.db2.gz JHFNUTYKLXQKFT-LDYMZIIASA-N -1 0 344.194 3.669 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1cc(F)c(Cl)cc1F ZINC001599643592 994392583 /nfs/dbraw/zinc/39/25/83/994392583.db2.gz KQAPHPAWCYLKSI-UHFFFAOYSA-N -1 0 342.681 3.544 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)c1coc2c1cccc2C ZINC001599643667 994393338 /nfs/dbraw/zinc/39/33/38/994393338.db2.gz KMROMXAFFPQVGP-UHFFFAOYSA-N -1 0 339.347 3.725 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)c1oc2ccccc2c1C ZINC001599643928 994397817 /nfs/dbraw/zinc/39/78/17/994397817.db2.gz JCKRMBHXALKIKK-UHFFFAOYSA-N -1 0 339.347 3.725 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)[C@H]1CCc2c1cccc2Cl ZINC001599644644 994408142 /nfs/dbraw/zinc/40/81/42/994408142.db2.gz REAMZZXHHFZIQA-LBPRGKRZSA-N -1 0 346.766 3.682 20 0 EHADRM COc1cccc(C(C)(C)C(=O)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC001599650310 994488875 /nfs/dbraw/zinc/48/88/75/994488875.db2.gz UZKVDVSZIGRHOR-UHFFFAOYSA-N -1 0 341.407 3.629 20 0 EHADRM COc1cccc([C@H](C(=O)[O-])N(Cc2ccccc2)CC(F)F)c1 ZINC001599651095 994502224 /nfs/dbraw/zinc/50/22/24/994502224.db2.gz SCQUVSTZEFRTTB-QGZVFWFLSA-N -1 0 335.350 3.588 20 0 EHADRM COc1cccc([C@@H](C(=O)[O-])N2CC[C@@H]2c2ccc(Cl)cc2)c1 ZINC001599651262 994505056 /nfs/dbraw/zinc/50/50/56/994505056.db2.gz SQBQXXIXQQGHTK-SJORKVTESA-N -1 0 331.799 3.921 20 0 EHADRM COc1cccc([C@H](C)C(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)c1 ZINC001599654526 994556973 /nfs/dbraw/zinc/55/69/73/994556973.db2.gz PXZBTOLKFJFHDM-STQMWFEESA-N -1 0 328.364 3.801 20 0 EHADRM COc1cccc([C@@H](C)C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)c1 ZINC001599654515 994557259 /nfs/dbraw/zinc/55/72/59/994557259.db2.gz PPRZQDOZYCTXPI-LLVKDONJSA-N -1 0 338.363 3.617 20 0 EHADRM COc1cccc([C@H](C)OC(=O)CCc2ccccc2C(=O)[O-])c1 ZINC001599659113 994628450 /nfs/dbraw/zinc/62/84/50/994628450.db2.gz YOQHPYQTXLBHOS-ZDUSSCGKSA-N -1 0 328.364 3.630 20 0 EHADRM O=C(NCC1(Cc2ccccc2)CCC1)c1cc(F)c(F)c([O-])c1F ZINC000180153696 1015876440 /nfs/dbraw/zinc/87/64/40/1015876440.db2.gz SOWYGKAVEASWSQ-UHFFFAOYSA-N -1 0 349.352 3.952 20 0 EHADRM C[C@@H](NCc1ccc(C(=O)[O-])c(Cl)c1)c1c(F)cncc1F ZINC001593291884 994671750 /nfs/dbraw/zinc/67/17/50/994671750.db2.gz FENGIUQXQVMRLQ-MRVPVSSYSA-N -1 0 326.730 3.562 20 0 EHADRM COc1cccc(CC(=O)O[C@@H]2CCCc3cc(C(=O)[O-])ccc32)c1 ZINC001599665296 994719355 /nfs/dbraw/zinc/71/93/55/994719355.db2.gz IWBYTSZXAWAULM-GOSISDBHSA-N -1 0 340.375 3.557 20 0 EHADRM COc1cccc(CC(=O)[O-])c1OCc1coc(-c2ccccc2)n1 ZINC001599666065 994731648 /nfs/dbraw/zinc/73/16/48/994731648.db2.gz UKBLBXDYEDHUIZ-UHFFFAOYSA-N -1 0 339.347 3.556 20 0 EHADRM COc1cccc([C@H]2C[C@@H]2C(=O)Oc2cc(C(=O)[O-])cc(F)c2C)c1 ZINC001599666318 994735812 /nfs/dbraw/zinc/73/58/12/994735812.db2.gz QEYFIXJXMISUGQ-CABCVRRESA-N -1 0 344.338 3.550 20 0 EHADRM C[C@H](c1ccccc1C(F)(F)F)[C@H](C)Nc1cc(C(=O)[O-])ncn1 ZINC001593359466 995017501 /nfs/dbraw/zinc/01/75/01/995017501.db2.gz FXRLTQHEEDBWJX-UWVGGRQHSA-N -1 0 339.317 3.798 20 0 EHADRM C[C@H](Nc1ccc(C(=O)NC(C)(C)C)cc1)c1ncc(C(=O)[O-])s1 ZINC001593360061 995021952 /nfs/dbraw/zinc/02/19/52/995021952.db2.gz OEIIARXYMKGMTB-JTQLQIEISA-N -1 0 347.440 3.543 20 0 EHADRM C[C@@H](Nc1ccc(Cl)cc1SCCC(=O)[O-])c1cnccn1 ZINC001593362414 995032508 /nfs/dbraw/zinc/03/25/08/995032508.db2.gz GZZPXFMMUPBRRH-SNVBAGLBSA-N -1 0 337.832 3.870 20 0 EHADRM C[C@@H](Nc1cccc(N2CCCCC2=O)c1)c1cc(C(=O)[O-])co1 ZINC001593366034 995046663 /nfs/dbraw/zinc/04/66/63/995046663.db2.gz PBXBVPAMWAFALZ-GFCCVEGCSA-N -1 0 328.368 3.668 20 0 EHADRM O=C([O-])CCN(C(=O)c1ccc(Oc2ccccc2)cc1)C1CC1 ZINC000238054510 1015921350 /nfs/dbraw/zinc/92/13/50/1015921350.db2.gz SYNWMAYTKWEWDW-UHFFFAOYSA-N -1 0 325.364 3.558 20 0 EHADRM COC(=O)[C@@H](N[C@H](C)c1cccc(C)c1C)c1cccc(C(=O)[O-])c1 ZINC001598705815 995285271 /nfs/dbraw/zinc/28/52/71/995285271.db2.gz IAROWBHQLSCRJQ-KDOFPFPSSA-N -1 0 341.407 3.567 20 0 EHADRM C[C@@H](OC(=O)C(F)(F)c1cc(F)cc(F)c1)c1cc(C(=O)[O-])co1 ZINC001593490528 995455376 /nfs/dbraw/zinc/45/53/76/995455376.db2.gz DMDYWDNOIXQFMH-SSDOTTSWSA-N -1 0 346.232 3.652 20 0 EHADRM C[C@H](OC(=O)[C@@H]1C[C@]12CCCc1ccccc12)c1cc(C(=O)[O-])co1 ZINC001593502269 995508332 /nfs/dbraw/zinc/50/83/32/995508332.db2.gz WTVBCZRIJGLZKA-APXLUKDGSA-N -1 0 340.375 3.876 20 0 EHADRM C[C@H](OC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1csc(C2CC2)n1 ZINC001593513592 995524401 /nfs/dbraw/zinc/52/44/01/995524401.db2.gz FXBAYRAHIITEDJ-IWGCBNPKSA-N -1 0 333.365 3.629 20 0 EHADRM C[C@H](OC(=O)CCc1cccc2ccccc21)c1nc(C(=O)[O-])co1 ZINC001593528542 995576942 /nfs/dbraw/zinc/57/69/42/995576942.db2.gz XZIZCGPGMZJTNR-LBPRGKRZSA-N -1 0 339.347 3.763 20 0 EHADRM C[C@@H](OC(=O)c1[nH]c2ccccc2c1CC(=O)[O-])c1ccc(F)cc1 ZINC001593562664 995650570 /nfs/dbraw/zinc/65/05/70/995650570.db2.gz HJKPSRIMKWQQQK-LLVKDONJSA-N -1 0 341.338 3.852 20 0 EHADRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])o1)c1ncc(-c2ccccc2)o1 ZINC001593574436 995678677 /nfs/dbraw/zinc/67/86/77/995678677.db2.gz JBUSWTMIKPAJJS-SNVBAGLBSA-N -1 0 327.292 3.551 20 0 EHADRM COC(=O)[C@@H]1C[C@@H]2C[C@H](Nc3ccc4sc(C(=O)[O-])cc4c3)[C@H]2C1 ZINC001598761012 995776268 /nfs/dbraw/zinc/77/62/68/995776268.db2.gz SBQQFYIKYAAWLV-RCCPXBDUSA-N -1 0 345.420 3.599 20 0 EHADRM C[C@@H](Oc1ccc(NC(=O)C2(C3CCC3)CCC2)cc1F)C(=O)[O-] ZINC001593624934 995889585 /nfs/dbraw/zinc/88/95/85/995889585.db2.gz VCKSPYQKZJTIER-LLVKDONJSA-N -1 0 335.375 3.587 20 0 EHADRM C[C@@H](Oc1ccccc1CN1CCc2cc(Cl)ccc2C1)C(=O)[O-] ZINC001593646564 995986363 /nfs/dbraw/zinc/98/63/63/995986363.db2.gz RXFLUHIZEOKWLB-CYBMUJFWSA-N -1 0 345.826 3.750 20 0 EHADRM C[C@H](Oc1ccccc1CNc1cccc(-c2ccon2)c1)C(=O)[O-] ZINC001593651595 996012509 /nfs/dbraw/zinc/01/25/09/996012509.db2.gz MUMJNNLSDMKVDK-ZDUSSCGKSA-N -1 0 338.363 3.806 20 0 EHADRM C[C@@H](SCC(=O)[O-])c1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC001593656452 996025616 /nfs/dbraw/zinc/02/56/16/996025616.db2.gz DHSGRPYFSBGPPF-SSDOTTSWSA-N -1 0 336.394 3.536 20 0 EHADRM C[C@H](SCc1cccc(C(=O)[O-])n1)c1nccn1-c1ccccc1 ZINC001593661480 996037593 /nfs/dbraw/zinc/03/75/93/996037593.db2.gz CIRDGTJOKZOXHW-ZDUSSCGKSA-N -1 0 339.420 3.960 20 0 EHADRM C[C@@H](SCc1csc(C(=O)[O-])c1)C(=O)N1CCc2ccccc21 ZINC001593663313 996044732 /nfs/dbraw/zinc/04/47/32/996044732.db2.gz LMAKHDJDBWKMNT-LLVKDONJSA-N -1 0 347.461 3.657 20 0 EHADRM C[C@H](SCc1ccccc1C(=O)[O-])C(=O)N1CCc2ccccc21 ZINC001593663844 996046517 /nfs/dbraw/zinc/04/65/17/996046517.db2.gz UJLDRQDNFQVJNR-ZDUSSCGKSA-N -1 0 341.432 3.596 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)NCc1ccccc1C(=O)[O-] ZINC001593674200 996088478 /nfs/dbraw/zinc/08/84/78/996088478.db2.gz XBOWHBJOQKJNJY-NSHDSACASA-N -1 0 349.839 3.835 20 0 EHADRM C[C@@H](Sc1nnc(-c2ccccc2F)n1C)c1ccc(C(=O)[O-])o1 ZINC001593678705 996094903 /nfs/dbraw/zinc/09/49/03/996094903.db2.gz XPQUYWRSMZCYEG-SECBINFHSA-N -1 0 347.371 3.766 20 0 EHADRM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cc(C(=O)[O-])on1 ZINC001593692512 996140021 /nfs/dbraw/zinc/14/00/21/996140021.db2.gz CCSPSXOVCWBCDK-ZETCQYMHSA-N -1 0 343.166 3.513 20 0 EHADRM C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001593706252 996195280 /nfs/dbraw/zinc/19/52/80/996195280.db2.gz OPGDGXRSFSWDGN-FZKQIMNGSA-N -1 0 341.382 3.932 20 0 EHADRM CS(=O)(=O)[N-]C(=O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1 ZINC000080251023 1016016158 /nfs/dbraw/zinc/01/61/58/1016016158.db2.gz DRZGZXAMAFXAJM-UHFFFAOYSA-N -1 0 343.763 3.536 20 0 EHADRM C[C@H](c1ccccc1)n1cc(Nc2ncc(C(=O)[O-])cc2Cl)cn1 ZINC001593714066 996227620 /nfs/dbraw/zinc/22/76/20/996227620.db2.gz RUJXPFLNMKCPFR-LLVKDONJSA-N -1 0 342.786 3.983 20 0 EHADRM CC1(C(=O)Nc2cc(Br)c(F)c(C(=O)[O-])c2)CC=CC1 ZINC001593758540 996412727 /nfs/dbraw/zinc/41/27/27/996412727.db2.gz QKZAIOYAFRHANR-UHFFFAOYSA-N -1 0 342.164 3.581 20 0 EHADRM CC1(C)CC(C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)CC(C)(C)C1 ZINC001593848357 996619605 /nfs/dbraw/zinc/61/96/05/996619605.db2.gz PWJLFGWMJOFQFO-INIZCTEOSA-N -1 0 349.446 3.963 20 0 EHADRM CC1(C)CC(CNC(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC001593852915 996628919 /nfs/dbraw/zinc/62/89/19/996628919.db2.gz DFSZJFUEVBXQOR-UHFFFAOYSA-N -1 0 342.342 3.544 20 0 EHADRM CC1(C)C[C@]1(C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])c1ccccc1 ZINC001593864528 996666736 /nfs/dbraw/zinc/66/67/36/996666736.db2.gz WQWOKUUPGXJSKF-LAUBAEHRSA-N -1 0 343.467 3.894 20 0 EHADRM CC1(C)CC[C@H](C(=O)NCCSCC(=O)[O-])[C@H](c2ccccc2)C1 ZINC001593875127 996693465 /nfs/dbraw/zinc/69/34/65/996693465.db2.gz YGENDIULDKCBEG-HOTGVXAUSA-N -1 0 349.496 3.531 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2O)cc1 ZINC000442845967 1016057550 /nfs/dbraw/zinc/05/75/50/1016057550.db2.gz IVIFSOWTNVDTJB-GFCCVEGCSA-N -1 0 335.425 3.715 20 0 EHADRM CC1(C)CC[C@@H](c2noc([C@H]3CC[C@@H](C(=O)[O-])O3)n2)c2ccccc21 ZINC001593883833 996718566 /nfs/dbraw/zinc/71/85/66/996718566.db2.gz VSSJBFBCPDMTPK-YUELXQCFSA-N -1 0 342.395 3.578 20 0 EHADRM CC1(C)CC[C@H]1C(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001593883907 996719327 /nfs/dbraw/zinc/71/93/27/996719327.db2.gz XZWBXIWLPBGTKE-NWDGAFQWSA-N -1 0 330.302 3.968 20 0 EHADRM CC1(C)CCC[C@@](NC(=O)[C@H]2Cc3ccc(Cl)cc32)(C(=O)[O-])C1 ZINC001593891829 996738066 /nfs/dbraw/zinc/73/80/66/996738066.db2.gz OCHCZBMENHXVEY-KSSFIOAISA-N -1 0 335.831 3.520 20 0 EHADRM CC1(C)CCC[C@](NC(=O)OCc2ccc(Cl)cc2)(C(=O)[O-])C1 ZINC001593892831 996743392 /nfs/dbraw/zinc/74/33/92/996743392.db2.gz SWUMFDRAHUXDER-QGZVFWFLSA-N -1 0 339.819 3.990 20 0 EHADRM COC(=O)Cc1ccccc1CSCc1csc(C(=O)[O-])c1 ZINC001598873367 996748663 /nfs/dbraw/zinc/74/86/63/996748663.db2.gz KANUMHQBYHXHAO-UHFFFAOYSA-N -1 0 336.434 3.595 20 0 EHADRM CC1(C)CCC[C@H]1C(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001593897751 996758632 /nfs/dbraw/zinc/75/86/32/996758632.db2.gz QFKVNKQPMVAGCE-JTQLQIEISA-N -1 0 340.217 3.912 20 0 EHADRM CC1(C)CCC[C@H]1C(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001593897733 996758692 /nfs/dbraw/zinc/75/86/92/996758692.db2.gz PYTUSHFWCIJRRW-HNNXBMFYSA-N -1 0 329.396 3.616 20 0 EHADRM CC1(C)CCC[C@H]1CCNC(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001593903067 996770025 /nfs/dbraw/zinc/77/00/25/996770025.db2.gz HMVJKNDTETXQRA-HNNXBMFYSA-N -1 0 344.455 3.669 20 0 EHADRM COc1ccc(C(=O)N2CCCc3ccc(C)c(C(=O)[O-])c32)c(C)c1 ZINC001599481712 996783055 /nfs/dbraw/zinc/78/30/55/996783055.db2.gz YCGPWJIXVFISQK-UHFFFAOYSA-N -1 0 339.391 3.603 20 0 EHADRM CC1(C)CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CCS1 ZINC001593912260 996810715 /nfs/dbraw/zinc/81/07/15/996810715.db2.gz XRQUXOTUKVKNLL-LSDHHAIUSA-N -1 0 348.468 3.624 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCc1ccc(C(=O)OC(C)C)cc1 ZINC001599379642 996810824 /nfs/dbraw/zinc/81/08/24/996810824.db2.gz NEDNYHIPTSTVOG-UHFFFAOYSA-N -1 0 344.363 3.538 20 0 EHADRM CC1(C)CCc2c(OC(=O)C34CCC(C(=O)[O-])(CC3)C4)cccc2O1 ZINC001593916622 996819183 /nfs/dbraw/zinc/81/91/83/996819183.db2.gz SWTKVSCYSSAOGY-UHFFFAOYSA-N -1 0 344.407 3.731 20 0 EHADRM COc1ccc(C(=O)Nc2c3ccc(C)nc3sc2C(=O)[O-])cc1 ZINC001599485862 996847861 /nfs/dbraw/zinc/84/78/61/996847861.db2.gz LNJZSWBVSSWVCK-UHFFFAOYSA-N -1 0 342.376 3.564 20 0 EHADRM CC1(C)CN(C(=O)Nc2cc(C(=O)[O-])cnc2Cl)CC(C)(C)C1 ZINC001593934103 996896279 /nfs/dbraw/zinc/89/62/79/996896279.db2.gz GRQAXLXSNXZXLQ-UHFFFAOYSA-N -1 0 339.823 3.723 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2ccc(-c3ccccc3)o2)c1 ZINC001599489257 996908363 /nfs/dbraw/zinc/90/83/63/996908363.db2.gz GPPOCKCXGBVPAX-UHFFFAOYSA-N -1 0 337.331 3.906 20 0 EHADRM CC1(C)CN(C(=O)c2ccccc2CCC(=O)[O-])[C@@H]1c1cccs1 ZINC001593936359 996916141 /nfs/dbraw/zinc/91/61/41/996916141.db2.gz CRTFEUYVLXCZSG-QGZVFWFLSA-N -1 0 343.448 3.989 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)c1F ZINC001599490115 996924091 /nfs/dbraw/zinc/92/40/91/996924091.db2.gz SDVLJPNOWYUCNZ-YPMHNXCESA-N -1 0 335.375 3.709 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)c1 ZINC001599490265 996926251 /nfs/dbraw/zinc/92/62/51/996926251.db2.gz UPEIZSIPBBHSGZ-HDJSIYSDSA-N -1 0 331.412 3.938 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cc(C)oc2C(F)(F)F)c1 ZINC001599490255 996926468 /nfs/dbraw/zinc/92/64/68/996926468.db2.gz UCXCDAWRDFKFNO-UHFFFAOYSA-N -1 0 343.257 3.566 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)N2CC[C@H]2c2cccc(F)c2)c1 ZINC001599490399 996929076 /nfs/dbraw/zinc/92/90/76/996929076.db2.gz UOGVALNHIWNFDX-INIZCTEOSA-N -1 0 344.342 3.511 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC001599491056 996939422 /nfs/dbraw/zinc/93/94/22/996939422.db2.gz AZCYYAFUQCLCJY-RUDMXATFSA-N -1 0 332.739 3.666 20 0 EHADRM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000339963056 1016078741 /nfs/dbraw/zinc/07/87/41/1016078741.db2.gz UCURHVMZDFDMPW-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM COCc1cc(N[C@@H](C(=O)[O-])c2cccc(Cl)c2)ccc1OC ZINC001599288508 997022766 /nfs/dbraw/zinc/02/27/66/997022766.db2.gz XWRZYPDVLLRBHI-MRXNPFEDSA-N -1 0 335.787 3.733 20 0 EHADRM COCc1cc(NC(=O)c2cc3occc3s2)cc(C(=O)[O-])c1 ZINC001599288937 997028961 /nfs/dbraw/zinc/02/89/61/997028961.db2.gz YVTJKKCPASANPK-UHFFFAOYSA-N -1 0 331.349 3.591 20 0 EHADRM COCc1cc(NC/C=C\c2ccc(F)c(F)c2)cc(C(=O)[O-])c1 ZINC001599289547 997040291 /nfs/dbraw/zinc/04/02/91/997040291.db2.gz HRYWZMVJUHVCRP-IHWYPQMZSA-N -1 0 333.334 3.935 20 0 EHADRM CC1(C)CO[C@H](CCC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC001593954640 997044938 /nfs/dbraw/zinc/04/49/38/997044938.db2.gz MXAAGSIQGQLFSH-CYBMUJFWSA-N -1 0 325.792 3.572 20 0 EHADRM COc1cc(C)c(NC(=O)c2cc(C(=O)[O-])co2)cc1C(F)(F)F ZINC001599392780 997068018 /nfs/dbraw/zinc/06/80/18/997068018.db2.gz HNYKWNAUUSVPGX-UHFFFAOYSA-N -1 0 343.257 3.566 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)[C@H]1CCCCC1(C)C ZINC001599395795 997123077 /nfs/dbraw/zinc/12/30/77/997123077.db2.gz AIWBVEIJMAYMTB-QSYFUGGGSA-N -1 0 332.396 3.915 20 0 EHADRM COCc1ccc(NC(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)cc1 ZINC001599295058 997125284 /nfs/dbraw/zinc/12/52/84/997125284.db2.gz YMABIKYISIKCQV-UHFFFAOYSA-N -1 0 339.351 3.657 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OCCCOc1ccc(F)cc1 ZINC001599398390 997169767 /nfs/dbraw/zinc/16/97/67/997169767.db2.gz FEWNLUSNLFULNG-WMZJFQQLSA-N -1 0 346.354 3.780 20 0 EHADRM COC1(CNC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CCCCC1 ZINC001599090423 997182283 /nfs/dbraw/zinc/18/22/83/997182283.db2.gz YHXXWEYEPLGTIW-UHFFFAOYSA-N -1 0 340.807 3.509 20 0 EHADRM COCC1(C(=O)Oc2ccc(C(=O)[O-])cc2Cl)CCCCC1 ZINC001599194908 997196964 /nfs/dbraw/zinc/19/69/64/997196964.db2.gz GJVKHTXCAIRRPH-UHFFFAOYSA-N -1 0 326.776 3.541 20 0 EHADRM CC1(C)[C@H](C(=O)N[C@@H](C(=O)[O-])C2CCCCC2)[C@H]1c1ccccc1 ZINC001593987241 997227150 /nfs/dbraw/zinc/22/71/50/997227150.db2.gz MUGFYWVKLBMOBJ-IXDOHACOSA-N -1 0 329.440 3.576 20 0 EHADRM CC1(C2CC2)CCN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CC1 ZINC001593988155 997238606 /nfs/dbraw/zinc/23/86/06/997238606.db2.gz IMSQMPMRNKTNHQ-UHFFFAOYSA-N -1 0 338.354 3.707 20 0 EHADRM COc1cc(CN2CCC[C@@H]2c2nc(C(=O)[O-])c(C)s2)ccc1C ZINC001599407991 997364725 /nfs/dbraw/zinc/36/47/25/997364725.db2.gz YSVOSGFFVVDSGL-CQSZACIVSA-N -1 0 346.452 3.804 20 0 EHADRM Cc1nc(C(=O)Nc2cc(C(=O)[O-])cs2)c(-c2ccccc2)o1 ZINC000191385016 1032139757 /nfs/dbraw/zinc/13/97/57/1032139757.db2.gz OWZGJAJQIATLKX-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM CON(C(=O)/C(C)=C\c1c(Cl)cccc1Cl)[C@@H](C)CC(=O)[O-] ZINC001599309304 997385590 /nfs/dbraw/zinc/38/55/90/997385590.db2.gz CEOVKAQVOHTFDA-RNKPRXRFSA-N -1 0 346.210 3.650 20 0 EHADRM COc1cc(CNC(=O)C(C)(C)C2CCCCC2)ccc1C(=O)[O-] ZINC001599409480 997394272 /nfs/dbraw/zinc/39/42/72/997394272.db2.gz XPLJPOPNZBIRIK-UHFFFAOYSA-N -1 0 333.428 3.616 20 0 EHADRM C[C@]1(CCNC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C[C@@]1(F)Cl ZINC001594007120 997420851 /nfs/dbraw/zinc/42/08/51/997420851.db2.gz HMNKCXRBGLYQBW-KBPBESRZSA-N -1 0 349.189 3.864 20 0 EHADRM C[C@@]1(CCNC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C[C@@]1(F)Cl ZINC001594007122 997421196 /nfs/dbraw/zinc/42/11/96/997421196.db2.gz HMNKCXRBGLYQBW-KGLIPLIRSA-N -1 0 349.189 3.864 20 0 EHADRM COc1cc(CNC(=O)Nc2c(C)sc(C)c2C(=O)[O-])ccc1C ZINC001599412008 997440193 /nfs/dbraw/zinc/44/01/93/997440193.db2.gz YCUHMGUZIHTESW-UHFFFAOYSA-N -1 0 348.424 3.702 20 0 EHADRM COc1ccc([C@H](NC(=O)CCCC(C)(C)C)C(=O)[O-])cc1Cl ZINC001599519932 997461126 /nfs/dbraw/zinc/46/11/26/997461126.db2.gz QBCBJQFDYJIELR-HNNXBMFYSA-N -1 0 341.835 3.807 20 0 EHADRM COc1ccc([C@@H](NC(=O)CCCC(C)(C)C)C(=O)[O-])cc1Cl ZINC001599519933 997461143 /nfs/dbraw/zinc/46/11/43/997461143.db2.gz QBCBJQFDYJIELR-OAHLLOKOSA-N -1 0 341.835 3.807 20 0 EHADRM C[C@]1(CNC(=O)Nc2cccc3cc(C(=O)[O-])sc32)CCCCO1 ZINC001594021323 997539946 /nfs/dbraw/zinc/53/99/46/997539946.db2.gz GHSONULJUTXDKU-QGZVFWFLSA-N -1 0 348.424 3.680 20 0 EHADRM COc1cc(Cl)c(CN(C)Cc2ccc(C(=O)[O-])cc2)cc1OC ZINC001599418283 997548386 /nfs/dbraw/zinc/54/83/86/997548386.db2.gz CAMNQZAYOQZGPP-UHFFFAOYSA-N -1 0 349.814 3.687 20 0 EHADRM COc1cc(Cl)c(F)cc1NCc1ccccc1OCC(=O)[O-] ZINC001599419407 997567924 /nfs/dbraw/zinc/56/79/24/997567924.db2.gz ITJJBRKCWONYIM-UHFFFAOYSA-N -1 0 339.750 3.563 20 0 EHADRM COc1cc(Cl)ccc1C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-] ZINC001599420268 997581421 /nfs/dbraw/zinc/58/14/21/997581421.db2.gz BUTKASNSQNNICX-UHFFFAOYSA-N -1 0 341.835 3.558 20 0 EHADRM COc1cc(Cl)cc(C(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)c1 ZINC001599420548 997586844 /nfs/dbraw/zinc/58/68/44/997586844.db2.gz KUJUYGMZTTZHLP-UHFFFAOYSA-N -1 0 348.782 3.930 20 0 EHADRM COCC[C@@H](OC(=O)c1cc(C(=O)[O-])ccc1Cl)C(C)(C)C ZINC001599216564 997592649 /nfs/dbraw/zinc/59/26/49/997592649.db2.gz ADBFVLBADPLXCL-CYBMUJFWSA-N -1 0 328.792 3.646 20 0 EHADRM COc1cc(Cl)ccc1OC(=O)CCc1ccccc1C(=O)[O-] ZINC001599421241 997598582 /nfs/dbraw/zinc/59/85/82/997598582.db2.gz PVTYNAXOBTYCPB-UHFFFAOYSA-N -1 0 334.755 3.585 20 0 EHADRM COc1cc(Cl)ccc1CN1CCCc2c(C(=O)[O-])cccc21 ZINC001599421387 997600853 /nfs/dbraw/zinc/60/08/53/997600853.db2.gz QKSGLDJKAMIUAI-UHFFFAOYSA-N -1 0 331.799 4.000 20 0 EHADRM COc1ccc([C@H](NCc2ccsc2C(=O)[O-])c2ccco2)cc1 ZINC001599532738 997686623 /nfs/dbraw/zinc/68/66/23/997686623.db2.gz VKKVVHPQSSJTCZ-INIZCTEOSA-N -1 0 343.404 3.927 20 0 EHADRM COc1c(C)ccc(NC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c1C ZINC001599333178 997784162 /nfs/dbraw/zinc/78/41/62/997784162.db2.gz XZKOAFYYIGCVHE-QRWLVFNGSA-N -1 0 339.391 3.509 20 0 EHADRM COc1cc(NC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c(C)cc1C ZINC001599432936 997792276 /nfs/dbraw/zinc/79/22/76/997792276.db2.gz BPGYOBGVEBJPJD-FOIQADDNSA-N -1 0 339.391 3.509 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)C(C)(C)C1CCCC1 ZINC001599543165 997878053 /nfs/dbraw/zinc/87/80/53/997878053.db2.gz MGIYXWMXKCWJHI-LUAWRHEFSA-N -1 0 332.396 3.915 20 0 EHADRM COc1ccc(/C=C/C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)cc1 ZINC001599543580 997884836 /nfs/dbraw/zinc/88/48/36/997884836.db2.gz OPEQWJXCUJZVAG-BJMVGYQFSA-N -1 0 343.404 3.767 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1cccc(C(C)C)n1 ZINC001599545123 997910485 /nfs/dbraw/zinc/91/04/85/997910485.db2.gz KTWONDXWPLLQSZ-CSKARUKUSA-N -1 0 341.363 3.531 20 0 EHADRM COC(=O)c1cc(NC(=O)C[C@@H]2CCCCC2(C)C)cc(C(=O)[O-])c1 ZINC001598938297 997913183 /nfs/dbraw/zinc/91/31/83/997913183.db2.gz QYILGKZRXBFTSJ-AWEZNQCLSA-N -1 0 347.411 3.716 20 0 EHADRM COc1cc(NC(=O)c2cc(C)c(F)cc2Cl)ccc1C(=O)[O-] ZINC001599441023 997929841 /nfs/dbraw/zinc/92/98/41/997929841.db2.gz AFRYWOCTTFXOOK-UHFFFAOYSA-N -1 0 337.734 3.747 20 0 EHADRM COc1c(NC(=O)N[C@@H](C2CCC2)C2CCCC2)cccc1C(=O)[O-] ZINC001599341860 997934448 /nfs/dbraw/zinc/93/44/48/997934448.db2.gz VHXDTIWDPXCEAX-MRXNPFEDSA-N -1 0 346.427 3.874 20 0 EHADRM COc1cc(NC(=O)c2cc(C(=O)[O-])oc2C)cc(OC)c1C(C)C ZINC001599441626 997939033 /nfs/dbraw/zinc/93/90/33/997939033.db2.gz UNWMHQHWPAKRNF-UHFFFAOYSA-N -1 0 347.367 3.679 20 0 EHADRM COc1cc(NC(=O)c2ccc(C(=O)[O-])cc2)ccc1C(F)(F)F ZINC001599442143 997947469 /nfs/dbraw/zinc/94/74/69/997947469.db2.gz GMYIVQPOLCIGEB-UHFFFAOYSA-N -1 0 339.269 3.665 20 0 EHADRM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001594076841 997950814 /nfs/dbraw/zinc/95/08/14/997950814.db2.gz PHBZCXRQHSSSAB-XLIONFOSSA-N -1 0 349.390 3.718 20 0 EHADRM COc1c(NC(=O)c2sccc2C(F)F)cccc1C(=O)[O-] ZINC001599342973 997952074 /nfs/dbraw/zinc/95/20/74/997952074.db2.gz WECXCLWXASLOOU-UHFFFAOYSA-N -1 0 327.308 3.645 20 0 EHADRM COc1cc(N[C@H](C)c2cncc(C(=O)[O-])c2)cc(OC)c1Cl ZINC001599442591 997953963 /nfs/dbraw/zinc/95/39/63/997953963.db2.gz FHMHELNYVQKAQN-SECBINFHSA-N -1 0 336.775 3.624 20 0 EHADRM CC1(c2ccccc2C(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)CC1 ZINC001594078885 997956826 /nfs/dbraw/zinc/95/68/26/997956826.db2.gz ATUMGDMRYMAULP-JOCHJYFZSA-N -1 0 349.430 3.607 20 0 EHADRM CC1(c2ccccc2C(=O)N2CCc3cccc(C(=O)[O-])c3C2)CC1 ZINC001594079152 997961696 /nfs/dbraw/zinc/96/16/96/997961696.db2.gz NBAITBLFYZGUGH-UHFFFAOYSA-N -1 0 335.403 3.635 20 0 EHADRM COc1cc(NCc2ccsc2C(=O)[O-])cc(OC)c1Cl ZINC001599444125 997979323 /nfs/dbraw/zinc/97/93/23/997979323.db2.gz WYUOXXVBZPDCOY-UHFFFAOYSA-N -1 0 327.789 3.729 20 0 EHADRM COc1cc(NCc2cc(C(=O)[O-])c3n2CCCC3)ccc1Cl ZINC001599444366 997982869 /nfs/dbraw/zinc/98/28/69/997982869.db2.gz SQVMPEDJWQOOHF-UHFFFAOYSA-N -1 0 334.803 3.797 20 0 EHADRM CC1(c2ccccc2C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)CC1 ZINC001594081777 997985304 /nfs/dbraw/zinc/98/53/04/997985304.db2.gz RZBWMGJTQFOIKP-UHFFFAOYSA-N -1 0 335.363 3.565 20 0 EHADRM COc1cc(OC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)ccc1C(=O)[O-] ZINC001599446580 998019039 /nfs/dbraw/zinc/01/90/39/998019039.db2.gz ZMGYSDRZAOLDKN-HZSPNIEDSA-N -1 0 332.396 3.905 20 0 EHADRM COc1ccc(CCC(=O)O[C@H](C(=O)[O-])c2ccccc2)cc1Cl ZINC001599553143 998044705 /nfs/dbraw/zinc/04/47/05/998044705.db2.gz VYNXYXZLLVBFCG-KRWDZBQOSA-N -1 0 348.782 3.650 20 0 EHADRM Cc1ccc(N2C(=O)N[C@H](c3ccccc3)C(C(=O)[O-])=C2C)c(C)c1 ZINC001594098637 998084214 /nfs/dbraw/zinc/08/42/14/998084214.db2.gz XHFYCHMFQDVPGA-GOSISDBHSA-N -1 0 336.391 3.933 20 0 EHADRM COC(=O)c1cc(NCc2ccc(C(=O)[O-])cc2F)ccc1Cl ZINC001598947924 998090982 /nfs/dbraw/zinc/09/09/82/998090982.db2.gz AEBBLXMKHKQOBN-UHFFFAOYSA-N -1 0 337.734 3.576 20 0 EHADRM COC(=O)c1cc(OC(=O)[C@@H](C)CC2CCCCC2)cc(C(=O)[O-])c1 ZINC001598949992 998131932 /nfs/dbraw/zinc/13/19/32/998131932.db2.gz IYWFBERFNNPBHV-LBPRGKRZSA-N -1 0 348.395 3.683 20 0 EHADRM COc1cc(C(=O)Nc2c(C)c(C(=O)[O-])ccc2Cl)ccc1F ZINC001599354911 998162756 /nfs/dbraw/zinc/16/27/56/998162756.db2.gz NRRVKNNVFBUMRG-UHFFFAOYSA-N -1 0 337.734 3.747 20 0 EHADRM CC1=C(C)C[C@@](C)(C(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)CC1 ZINC001594109860 998198916 /nfs/dbraw/zinc/19/89/16/998198916.db2.gz MVRSVETUWQXPFN-SFTDATJTSA-N -1 0 341.451 3.768 20 0 EHADRM COC(=O)c1cc2cccc(NCc3ccoc3C(=O)[O-])c2s1 ZINC001598956956 998261227 /nfs/dbraw/zinc/26/12/27/998261227.db2.gz RCGSHZKOOGSWHM-UHFFFAOYSA-N -1 0 331.349 3.591 20 0 EHADRM COc1cc(C(=O)[O-])cc(N[C@H](C)c2cc3cnccc3o2)c1OC ZINC001599362045 998276480 /nfs/dbraw/zinc/27/64/80/998276480.db2.gz KQOBELKZSHVXNK-SNVBAGLBSA-N -1 0 342.351 3.716 20 0 EHADRM COc1ccc(CNC(=O)NCC2(C)CCCCCC2)cc1C(=O)[O-] ZINC001599568444 998325250 /nfs/dbraw/zinc/32/52/50/998325250.db2.gz SMRRNKSPIOWXGN-UHFFFAOYSA-N -1 0 348.443 3.553 20 0 EHADRM COc1cc2c(cc1Cl)CN(Cc1ccc(/C=C\C(=O)[O-])o1)CC2 ZINC001599464235 998331168 /nfs/dbraw/zinc/33/11/68/998331168.db2.gz CQCUXKAYZHRJKJ-PLNGDYQASA-N -1 0 347.798 3.598 20 0 EHADRM COc1cc2ccccc2cc1C(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC001599466915 998378400 /nfs/dbraw/zinc/37/84/00/998378400.db2.gz XGGMQOIJVYXRKF-SFHVURJKSA-N -1 0 341.407 3.612 20 0 EHADRM C[C@@H]1[C@H](C(=O)N2CCCc3ccc(C(=O)[O-])cc32)[C@H]1c1ccccc1 ZINC001594136730 998381501 /nfs/dbraw/zinc/38/15/01/998381501.db2.gz RVVLQZRQTKCQHA-BKTGTZMESA-N -1 0 335.403 3.714 20 0 EHADRM COC[C@H](C)[C@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC001599159416 998431181 /nfs/dbraw/zinc/43/11/81/998431181.db2.gz ULDFNBQQHABRGL-QWRGUYRKSA-N -1 0 339.457 3.572 20 0 EHADRM COc1ccc(Cl)c(COc2ccccc2[C@H](OC)C(=O)[O-])c1 ZINC001599576906 998459405 /nfs/dbraw/zinc/45/94/05/998459405.db2.gz MYEIOSPNYUEJLN-INIZCTEOSA-N -1 0 336.771 3.700 20 0 EHADRM COc1ccc(Cl)c(CNc2cc(C(=O)[O-])c(F)cc2F)c1 ZINC001599576999 998460639 /nfs/dbraw/zinc/46/06/39/998460639.db2.gz QTFQPRQGCUBSRJ-UHFFFAOYSA-N -1 0 327.714 3.937 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NCc1cnc(CC(F)(F)F)s1 ZINC001599375214 998473942 /nfs/dbraw/zinc/47/39/42/998473942.db2.gz MNCWGMQCKQMLDS-UHFFFAOYSA-N -1 0 346.330 3.567 20 0 EHADRM COC(=O)c1ccc([C@H](C)S[C@@H](Cc2ccc(C)cc2)C(=O)[O-])o1 ZINC001598969881 998494522 /nfs/dbraw/zinc/49/45/22/998494522.db2.gz QHESFBIRYLBCIK-LRDDRELGSA-N -1 0 348.420 3.865 20 0 EHADRM CC(C)(C(=O)[N-]OCCC(F)(F)F)c1cccc(Cl)c1F ZINC000275259787 1016221831 /nfs/dbraw/zinc/22/18/31/1016221831.db2.gz YFKPEQVXTXTUGU-UHFFFAOYSA-N -1 0 327.705 3.757 20 0 EHADRM C[C@H]1[C@H](Nc2cccc(OCC(F)(F)F)c2)CC[C@H]1CC(=O)[O-] ZINC001594183804 998710902 /nfs/dbraw/zinc/71/09/02/998710902.db2.gz AIPWJCUYKATISW-UHIISALHSA-N -1 0 331.334 3.929 20 0 EHADRM COC(=O)c1cccc([C@H](SC[C@H]2CC2(Cl)Cl)C(=O)[O-])c1 ZINC001598993642 998759753 /nfs/dbraw/zinc/75/97/53/998759753.db2.gz CEGITAFCZBGNDF-MNOVXSKESA-N -1 0 349.235 3.526 20 0 EHADRM COC(=O)c1cccc(CNc2ccc(SC)c(C(=O)[O-])c2)c1 ZINC001598993896 998761244 /nfs/dbraw/zinc/76/12/44/998761244.db2.gz KTSINVNXDTXAMR-UHFFFAOYSA-N -1 0 331.393 3.505 20 0 EHADRM COC(=O)c1cccc([C@@H](Nc2ccc(F)c(Cl)c2)C(=O)[O-])c1 ZINC001598996133 998781160 /nfs/dbraw/zinc/78/11/60/998781160.db2.gz OROSCSXBAMPUGJ-CQSZACIVSA-N -1 0 337.734 3.504 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1C(=O)c1cccc(-c2cscn2)c1 ZINC001594206162 998793325 /nfs/dbraw/zinc/79/33/25/998793325.db2.gz PSMXMGNQUKBKJF-JJLQDPRZSA-N -1 0 344.436 3.524 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1C(=O)c1cc2cccc(Cl)c2o1 ZINC001594206850 998795391 /nfs/dbraw/zinc/79/53/91/998795391.db2.gz SPCOQKFJASNGKV-PEGIJTEDSA-N -1 0 335.787 3.800 20 0 EHADRM C[C@H]1CC(C(=O)Nc2cc(C(F)(F)F)cnc2C(=O)[O-])C[C@H](C)C1 ZINC001594223173 998859951 /nfs/dbraw/zinc/85/99/51/998859951.db2.gz OUZHEYSIVRJTIP-RKDXNWHRSA-N -1 0 344.333 3.809 20 0 EHADRM C[C@H]1C[C@H](C(=O)Nc2cc(C(F)(F)F)cnc2C(=O)[O-])C[C@@H](C)C1 ZINC001594223172 998860362 /nfs/dbraw/zinc/86/03/62/998860362.db2.gz OUZHEYSIVRJTIP-MYJAWHEDSA-N -1 0 344.333 3.809 20 0 EHADRM C[C@H]1CC(CNC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)C[C@H](C)C1 ZINC001594223518 998862189 /nfs/dbraw/zinc/86/21/89/998862189.db2.gz WGKRQBCUDWYPNY-ZIAGYGMSSA-N -1 0 344.455 3.525 20 0 EHADRM C[C@@H]1C[C@H](CC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)CC(C)(C)C1 ZINC001594232874 998888611 /nfs/dbraw/zinc/88/86/11/998888611.db2.gz TVJYMTXSZTTYMY-ZOCZFRKYSA-N -1 0 345.483 3.998 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC(=O)c2cc(C(=O)[O-])co2)C1 ZINC001594261258 999008680 /nfs/dbraw/zinc/00/86/80/999008680.db2.gz VCWOZQGCZBALRE-BJJXKVORSA-N -1 0 327.380 3.680 20 0 EHADRM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001594265537 999028011 /nfs/dbraw/zinc/02/80/11/999028011.db2.gz DUDILLUBYIPSNA-XHDPSFHLSA-N -1 0 343.358 3.534 20 0 EHADRM COC(C)(C)C[C@@H](C)NC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001599033020 999064627 /nfs/dbraw/zinc/06/46/27/999064627.db2.gz KERCKRDCVXBVET-MRVPVSSYSA-N -1 0 346.786 3.502 20 0 EHADRM COC(C)(C)CCNc1ccc(Br)c(C(=O)[O-])c1C ZINC001599033201 999065619 /nfs/dbraw/zinc/06/56/19/999065619.db2.gz XMMQHLPZDGKZPE-UHFFFAOYSA-N -1 0 330.222 3.683 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001594290784 999119442 /nfs/dbraw/zinc/11/94/42/999119442.db2.gz FNFHKACCHCHICB-PVXIVEMSSA-N -1 0 334.391 3.638 20 0 EHADRM C[C@H]1CC/C(=C/C(=O)Oc2ccc(C(=O)[O-])cc2Br)C1 ZINC001594292566 999128628 /nfs/dbraw/zinc/12/86/28/999128628.db2.gz RLMDRXPXQBQICR-CBFJXKFUSA-N -1 0 339.185 3.799 20 0 EHADRM C[C@@H]1CC/C(=C/C(=O)Oc2cc(Br)cc(C(=O)[O-])c2)C1 ZINC001594292810 999129442 /nfs/dbraw/zinc/12/94/42/999129442.db2.gz UJEKCXOQEDFDDD-JRZFIGEHSA-N -1 0 339.185 3.799 20 0 EHADRM C[C@H]1CCC(C)(C)N1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001594296410 999142006 /nfs/dbraw/zinc/14/20/06/999142006.db2.gz RFVUJYSOKHNXGT-VIFPVBQESA-N -1 0 342.342 3.781 20 0 EHADRM C[C@H]1CCC(F)(F)CN1CCOc1ccc(C(=O)[O-])cc1Cl ZINC001594306766 999184719 /nfs/dbraw/zinc/18/47/19/999184719.db2.gz KXQSEXINHNNBNL-JTQLQIEISA-N -1 0 333.762 3.537 20 0 EHADRM C[C@@H](C(=O)N[C@]1(C(=O)[O-])CC[C@H](C)c2ccccc21)c1ccccc1 ZINC001594314428 999216868 /nfs/dbraw/zinc/21/68/68/999216868.db2.gz PPSCZFRJIIIATF-PDSXEYIOSA-N -1 0 337.419 3.784 20 0 EHADRM C[C@H]1CC[C@](NC(=O)C=C(C2CC2)C2CC2)(C(=O)[O-])c2ccccc21 ZINC001594314865 999218660 /nfs/dbraw/zinc/21/86/60/999218660.db2.gz SRNUMUMMPCKESC-YEJXKQKISA-N -1 0 339.435 3.726 20 0 EHADRM C[C@@H]1CC[C@](NC(=O)c2cccc(Cl)c2)(C(=O)[O-])c2ccccc21 ZINC001594322441 999242529 /nfs/dbraw/zinc/24/25/29/999242529.db2.gz LYZQQBARFDRTRX-CWTRNNRKSA-N -1 0 343.810 3.947 20 0 EHADRM C[C@H]1CC[C@@H](Nc2cccc(CC(=O)[O-])c2)CN1C(=O)OC(C)(C)C ZINC001594327342 999258354 /nfs/dbraw/zinc/25/83/54/999258354.db2.gz WOOIZOKYRWPXEH-XJKSGUPXSA-N -1 0 348.443 3.514 20 0 EHADRM C[C@H]1CC[C@H](c2ccccc2)N(C(=O)Nc2cc(C(=O)[O-])n(C)c2)C1 ZINC001594329760 999267287 /nfs/dbraw/zinc/26/72/87/999267287.db2.gz DKDKSBWPNOOUPB-XJKSGUPXSA-N -1 0 341.411 3.728 20 0 EHADRM C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)Cc2ccccc2C(=O)[O-])C1 ZINC001594330479 999270641 /nfs/dbraw/zinc/27/06/41/999270641.db2.gz RCDFZWGNJITOSU-KXBFYZLASA-N -1 0 337.419 3.927 20 0 EHADRM C[C@H]1CC[C@H](c2ccccc2)N(C(=O)c2ccoc2CC(=O)[O-])C1 ZINC001594330719 999271841 /nfs/dbraw/zinc/27/18/41/999271841.db2.gz XDZGBOVYQFELFY-XJKSGUPXSA-N -1 0 327.380 3.520 20 0 EHADRM C[C@H]1CCC[C@H](N(C)C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)C1 ZINC001594348021 999317730 /nfs/dbraw/zinc/31/77/30/999317730.db2.gz FACPWJDOTVBCJU-WFASDCNBSA-N -1 0 341.411 3.975 20 0 EHADRM C[C@H]1CCC[C@H](OCC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)C1 ZINC001594354443 999338966 /nfs/dbraw/zinc/33/89/66/999338966.db2.gz CVVJVEXTFOUHHA-UWVGGRQHSA-N -1 0 343.782 3.711 20 0 EHADRM C[C@@H]1CCC[C@@H]1CC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001594357952 999353752 /nfs/dbraw/zinc/35/37/52/999353752.db2.gz RPAGXSKFCIHKLH-UNEWFSDZSA-N -1 0 329.440 3.747 20 0 EHADRM C[C@@H]1CCC[C@@H]1CC(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC001594358025 999353940 /nfs/dbraw/zinc/35/39/40/999353940.db2.gz SKJPXIBSXLGVOF-NVXWUHKLSA-N -1 0 343.467 3.992 20 0 EHADRM C[C@H]1CCC[C@@H]1CC(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC001594358082 999354457 /nfs/dbraw/zinc/35/44/57/999354457.db2.gz UIQOXPCMMKYUGG-QWHCGFSZSA-N -1 0 339.382 3.594 20 0 EHADRM C[C@H]1CCCC[C@@H]1CCNC(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001594363704 999372915 /nfs/dbraw/zinc/37/29/15/999372915.db2.gz JRWDHEZTWBEWGK-JKSUJKDBSA-N -1 0 338.492 3.927 20 0 EHADRM C[C@@H]1CCCC[C@H]1NC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001594366782 999386021 /nfs/dbraw/zinc/38/60/21/999386021.db2.gz RJFIAJFDCUXLFT-MLGOLLRUSA-N -1 0 344.411 3.551 20 0 EHADRM C[C@H]1CCCc2ncc(C(=O)Nc3scc(C4CC4)c3C(=O)[O-])n21 ZINC001594389093 999473484 /nfs/dbraw/zinc/47/34/84/999473484.db2.gz QLUXCEARCKOVFG-VIFPVBQESA-N -1 0 345.424 3.670 20 0 EHADRM C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)[C@H](C(=O)[O-])C1 ZINC001594396118 999492674 /nfs/dbraw/zinc/49/26/74/999492674.db2.gz UUPVKWLBTHNALR-XEKGUZQTSA-N -1 0 337.419 3.655 20 0 EHADRM CC(C)c1ccc(NC(=O)c2cnn3c2C[C@H](C)CC3)c(C(=O)[O-])c1 ZINC001594452515 999652566 /nfs/dbraw/zinc/65/25/66/999652566.db2.gz SEEVQJIBDOYRBJ-GFCCVEGCSA-N -1 0 341.411 3.539 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)Nc2ccccc2OCC2CC2)s1 ZINC000525445418 1016425976 /nfs/dbraw/zinc/42/59/76/1016425976.db2.gz NXZYTIVBUAWPMQ-UHFFFAOYSA-N -1 0 346.456 3.591 20 0 EHADRM C[C@H](C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccc(Cl)s1 ZINC000655579713 1016460674 /nfs/dbraw/zinc/46/06/74/1016460674.db2.gz XBHIYXZKGQYENY-XWLWVQCSSA-N -1 0 343.876 3.757 20 0 EHADRM O=S(=O)(Cc1ccccc1F)[N-]C1(C(F)(F)F)CCCCC1 ZINC000510221210 1016484766 /nfs/dbraw/zinc/48/47/66/1016484766.db2.gz GSXJWOKKVOHKNM-UHFFFAOYSA-N -1 0 339.354 3.510 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@H](CC(F)(F)F)c2ccccc2)CCCC1 ZINC000340164765 1016548274 /nfs/dbraw/zinc/54/82/74/1016548274.db2.gz TUERDCWPGKJOMW-CYBMUJFWSA-N -1 0 343.345 3.831 20 0 EHADRM C[C@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)c1cccc(C2CC2)c1 ZINC000659405503 1016662638 /nfs/dbraw/zinc/66/26/38/1016662638.db2.gz ZVRZGFUTMLXGJT-AWEZNQCLSA-N -1 0 344.455 3.911 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)C(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000236798418 1016738300 /nfs/dbraw/zinc/73/83/00/1016738300.db2.gz JZBRBOFSKBZBDQ-DOTOQJQBSA-N -1 0 347.455 3.823 20 0 EHADRM O=C(NCc1ccccc1OC1CCC1)c1cc(F)c([O-])c(F)c1 ZINC000180034378 1016885831 /nfs/dbraw/zinc/88/58/31/1016885831.db2.gz DRILHEQMQCJXPR-UHFFFAOYSA-N -1 0 333.334 3.532 20 0 EHADRM Cc1ccn(-c2ccccc2NC(=O)c2ccc([O-])c(Cl)c2)n1 ZINC000180160159 1016888706 /nfs/dbraw/zinc/88/87/06/1016888706.db2.gz MJUOMRZZRWFMKQ-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM CCCc1cc(=O)[nH]c(SCc2nc(C)c3ccccc3n2)n1 ZINC000025479566 1016910205 /nfs/dbraw/zinc/91/02/05/1016910205.db2.gz VLZLSOQIKQDHEG-UHFFFAOYSA-N -1 0 326.425 3.679 20 0 EHADRM COc1ccc(Cn2nccc2Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC001211647762 1016922708 /nfs/dbraw/zinc/92/27/08/1016922708.db2.gz HNWHQMCXZALDSP-UHFFFAOYSA-N -1 0 337.379 3.690 20 0 EHADRM CCN(c1ccc(C(=O)Nc2cccc(Cl)c2[O-])cn1)C(C)C ZINC000340318526 1016935203 /nfs/dbraw/zinc/93/52/03/1016935203.db2.gz CUJSAKVOQAMKQF-UHFFFAOYSA-N -1 0 333.819 3.928 20 0 EHADRM CCN(C(=O)c1cc(C)c(-c2ccc(F)cc2)s1)[C@H](C)C(=O)[O-] ZINC000659771008 1016992522 /nfs/dbraw/zinc/99/25/22/1016992522.db2.gz JTJWBVLAYSOTGR-LLVKDONJSA-N -1 0 335.400 3.798 20 0 EHADRM CCOC(=O)c1cnc(/C=C/C=C/c2ccc(F)cc2)c(C(=O)[O-])c1 ZINC000538134135 1032156548 /nfs/dbraw/zinc/15/65/48/1032156548.db2.gz WFHJDFPNMWYUML-GGWOSOGESA-N -1 0 341.338 3.822 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCC[C@@H]1c1cccc(F)c1 ZINC000183449771 1032170578 /nfs/dbraw/zinc/17/05/78/1032170578.db2.gz URMFYPMURWMJMS-CYBMUJFWSA-N -1 0 339.288 3.926 20 0 EHADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1sccc1C1CC1 ZINC000449135192 1032229017 /nfs/dbraw/zinc/22/90/17/1032229017.db2.gz OCBGMVPSCFKIIZ-OAHLLOKOSA-N -1 0 343.448 3.831 20 0 EHADRM COc1nccc(Nc2ccc(C(=O)[O-])cc2C)c1Br ZINC001211616562 1032281475 /nfs/dbraw/zinc/28/14/75/1032281475.db2.gz OUIULSONHPVTFL-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)c3cc(F)c([O-])c(Cl)c3)c2)no1 ZINC000184323166 1032284639 /nfs/dbraw/zinc/28/46/39/1032284639.db2.gz IYHWDMJOCNPKLV-UHFFFAOYSA-N -1 0 347.733 3.795 20 0 EHADRM CCCOc1ccc(S(=O)(=O)[N-]c2nccc3sccc32)cc1 ZINC000461149602 1032294753 /nfs/dbraw/zinc/29/47/53/1032294753.db2.gz RREFNVVSKINVDF-UHFFFAOYSA-N -1 0 348.449 3.886 20 0 EHADRM Cc1ccc(F)c(CN=c2[n-]nc(-c3cccc(OC(F)F)c3)o2)c1 ZINC000461211998 1032321505 /nfs/dbraw/zinc/32/15/05/1032321505.db2.gz XKKFSODZECQITC-UHFFFAOYSA-N -1 0 349.312 3.820 20 0 EHADRM Cc1ccc([C@H]2C[C@H](C)N(C(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)C2)cc1 ZINC000905124492 1032352804 /nfs/dbraw/zinc/35/28/04/1032352804.db2.gz VKJZBLAIQMOKRA-RANZSIQMSA-N -1 0 329.440 3.590 20 0 EHADRM CC(C)(C)C[C@@H]1CCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000081958116 1032376295 /nfs/dbraw/zinc/37/62/95/1032376295.db2.gz QBMMQPWWLUFFJJ-HNNXBMFYSA-N -1 0 345.418 3.758 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2-n2cccc2)o1 ZINC000536899199 1032383717 /nfs/dbraw/zinc/38/37/17/1032383717.db2.gz CFWAOVUTQJUCJU-UHFFFAOYSA-N -1 0 336.800 3.833 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)C[C@@H]2CCCC[C@H]2C)c1 ZINC000538474168 1032394679 /nfs/dbraw/zinc/39/46/79/1032394679.db2.gz VILADCDPQCMBDP-KEYYUXOJSA-N -1 0 333.428 3.544 20 0 EHADRM Cc1nc2cc([N-]S(=O)(=O)c3ccc(C)cc3Cl)ccc2n1C ZINC000083577614 1032399544 /nfs/dbraw/zinc/39/95/44/1032399544.db2.gz NVYJLUTUWXBIKJ-UHFFFAOYSA-N -1 0 349.843 3.644 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)/C=C/c2ccccc2Cl)c2ccccc21 ZINC000321207526 1032413485 /nfs/dbraw/zinc/41/34/85/1032413485.db2.gz VZDIMOBTJOLGKJ-ATWMFIQVSA-N -1 0 327.767 3.568 20 0 EHADRM CCC[C@@H](CNC(=O)CCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000263047582 1032417258 /nfs/dbraw/zinc/41/72/58/1032417258.db2.gz AHHGENHTXGJJSK-NSHDSACASA-N -1 0 332.227 3.543 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CN(C(=O)NCCCCCC(=O)[O-])C2CC2)o1 ZINC000414632732 1017092886 /nfs/dbraw/zinc/09/28/86/1017092886.db2.gz YQVPXOQKKBHTPL-XJKSGUPXSA-N -1 0 348.443 3.722 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])C[C@H]1O ZINC000089403374 1032527673 /nfs/dbraw/zinc/52/76/73/1032527673.db2.gz XYQDHAZSODWSFX-YVEFUNNKSA-N -1 0 345.826 3.556 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1C ZINC000537196376 1032554968 /nfs/dbraw/zinc/55/49/68/1032554968.db2.gz LTPPACITIPAQCG-JTQLQIEISA-N -1 0 341.864 3.925 20 0 EHADRM CC(C)(C)CCC(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000119064715 1032557603 /nfs/dbraw/zinc/55/76/03/1032557603.db2.gz ZUXFUJRHRUFFBV-UHFFFAOYSA-N -1 0 327.371 3.594 20 0 EHADRM CCN(C(=O)[C@H](C)S[C@@H](C)C(=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000601994123 1032587296 /nfs/dbraw/zinc/58/72/96/1032587296.db2.gz LTCDLXQYHWACKR-AVGNSLFASA-N -1 0 349.452 3.937 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000606196972 1032602434 /nfs/dbraw/zinc/60/24/34/1032602434.db2.gz YPNOLAURJDEHAX-SNVBAGLBSA-N -1 0 347.440 3.645 20 0 EHADRM CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000592975242 1032618689 /nfs/dbraw/zinc/61/86/89/1032618689.db2.gz NLFZZAIKFIFPME-UHFFFAOYSA-N -1 0 347.415 3.695 20 0 EHADRM CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000592975269 1032620344 /nfs/dbraw/zinc/62/03/44/1032620344.db2.gz QXXKUPUUKLBCAH-UHFFFAOYSA-N -1 0 343.452 3.864 20 0 EHADRM CC[C@H](c1n[n-]c(=NC(=O)N2C3CCC2CC3)s1)c1ccccc1 ZINC000592937908 1032625129 /nfs/dbraw/zinc/62/51/29/1032625129.db2.gz MAWLTXOQYAIRIR-NRXISQOPSA-N -1 0 342.468 3.661 20 0 EHADRM COc1cc(C)c(-c2ccc(C(F)(F)F)nc2OC)cc1C(=O)[O-] ZINC000515433427 1032666511 /nfs/dbraw/zinc/66/65/11/1032666511.db2.gz WJDOZWVMQAYSNX-UHFFFAOYSA-N -1 0 341.285 3.791 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N2CCC[C@@H](C)CC2)s1 ZINC000471351340 1017158451 /nfs/dbraw/zinc/15/84/51/1017158451.db2.gz WMHGCJQPKLTVLI-LLVKDONJSA-N -1 0 348.447 3.728 20 0 EHADRM CSc1cc(C)c(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)o1 ZINC000668283755 1017207320 /nfs/dbraw/zinc/20/73/20/1017207320.db2.gz XBBKBCVEGHRYCG-LLVKDONJSA-N -1 0 333.409 3.825 20 0 EHADRM O=C(Nc1ccc(Br)cc1F)c1cc(F)c([O-])c(F)c1 ZINC000183298612 1017265585 /nfs/dbraw/zinc/26/55/85/1017265585.db2.gz PJQXQNUXGWTDLG-UHFFFAOYSA-N -1 0 346.102 3.824 20 0 EHADRM O=C(NCc1ccccc1OC1CCCC1)c1cc(F)c([O-])c(F)c1 ZINC000183434783 1017330150 /nfs/dbraw/zinc/33/01/50/1017330150.db2.gz PYFMORIEBUEASF-UHFFFAOYSA-N -1 0 347.361 3.922 20 0 EHADRM CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000183582972 1017343874 /nfs/dbraw/zinc/34/38/74/1017343874.db2.gz ORLLYYJKPOEQDV-SNVBAGLBSA-N -1 0 345.349 3.531 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N=c1[n-]nc(CC(C)C)s1 ZINC000613655393 1017499396 /nfs/dbraw/zinc/49/93/96/1017499396.db2.gz OWIDJPVGXBPQBM-UHFFFAOYSA-N -1 0 333.388 3.605 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)N[C@H](CC(=O)[O-])C1CCCCC1 ZINC000537403721 1032704529 /nfs/dbraw/zinc/70/45/29/1032704529.db2.gz WUYHYGXQMSCQIL-RHSMWYFYSA-N -1 0 349.496 3.955 20 0 EHADRM CCCOc1ccccc1[C@H](CC(C)C)NC(=O)N=c1[n-]ncs1 ZINC000343841183 1017568508 /nfs/dbraw/zinc/56/85/08/1017568508.db2.gz DEQHGIVEIRYWGC-AWEZNQCLSA-N -1 0 348.472 3.658 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCCc2sccc2C1 ZINC000683621164 1017734971 /nfs/dbraw/zinc/73/49/71/1017734971.db2.gz ZJPFAPIYXDXVJV-UHFFFAOYSA-N -1 0 325.792 3.835 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)NC[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000655867190 1017824407 /nfs/dbraw/zinc/82/44/07/1017824407.db2.gz VTWNPMXMXVGKQE-SWLSCSKDSA-N -1 0 338.473 3.516 20 0 EHADRM CCOc1cc(-c2noc([C@H]3CCCOCC3)n2)cc(Cl)c1O ZINC000377479152 1017870010 /nfs/dbraw/zinc/87/00/10/1017870010.db2.gz OJMTUPDYJJKUCE-JTQLQIEISA-N -1 0 338.791 3.778 20 0 EHADRM CC(C)C[C@@H]1CCCN(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1 ZINC000655901018 1017881881 /nfs/dbraw/zinc/88/18/81/1017881881.db2.gz FLEHBNVKVBUXPE-YHUYYLMFSA-N -1 0 338.492 3.590 20 0 EHADRM CCC1(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)CCC(F)(F)CC1 ZINC000659131885 1017888120 /nfs/dbraw/zinc/88/81/20/1017888120.db2.gz ZTVOYYRHEZXKKA-UHFFFAOYSA-N -1 0 339.382 3.949 20 0 EHADRM Cc1ccccc1[C@@H](C)N(C)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655906717 1017888676 /nfs/dbraw/zinc/88/86/76/1017888676.db2.gz NGGWBUTVTMEBJI-HDEZJCGLSA-N -1 0 346.471 3.833 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)c(OC)c1 ZINC000460457414 1017893132 /nfs/dbraw/zinc/89/31/32/1017893132.db2.gz WSGCWVKPYYPJKK-UHFFFAOYSA-N -1 0 349.452 3.802 20 0 EHADRM C[C@H](NC(=O)NC(C)(C)CC(C)(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655905532 1017897103 /nfs/dbraw/zinc/89/71/03/1017897103.db2.gz XMJPZTHPBXQCIS-RWMBFGLXSA-N -1 0 326.481 3.636 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCC(OCc2ccccc2)CC1 ZINC000073119705 1017992746 /nfs/dbraw/zinc/99/27/46/1017992746.db2.gz SSPHXNFZLFWLSI-UHFFFAOYSA-N -1 0 345.826 3.867 20 0 EHADRM CCCCCc1n[n-]c(=NCc2nn(CC)c3ccccc23)s1 ZINC000471471783 1018060276 /nfs/dbraw/zinc/06/02/76/1018060276.db2.gz PBPBNRDFFLIFRP-UHFFFAOYSA-N -1 0 329.473 3.674 20 0 EHADRM Cc1cc([N-]C(=O)c2nc([C@@H]3C[C@@H](C)CC[C@H]3C(C)C)no2)no1 ZINC000656056064 1018396404 /nfs/dbraw/zinc/39/64/04/1018396404.db2.gz YTGFBZXRSKDBFY-WCFLWFBJSA-N -1 0 332.404 3.794 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CCCC2(CC2)C1)c1ccc(Cl)cc1 ZINC000659138725 1018491747 /nfs/dbraw/zinc/49/17/47/1018491747.db2.gz LJBIDZRQGXUSOG-HIFRSBDPSA-N -1 0 335.831 3.942 20 0 EHADRM CCCCS(=O)(=O)[N-]C(=O)c1sccc1-c1ccc(F)cc1 ZINC000062674696 1032771328 /nfs/dbraw/zinc/77/13/28/1032771328.db2.gz YVHNDPVAZPLMQG-UHFFFAOYSA-N -1 0 341.429 3.989 20 0 EHADRM O=S(=O)([N-]c1cccc(-n2cccc2)c1)c1cccc(F)c1F ZINC000340579970 1018568831 /nfs/dbraw/zinc/56/88/31/1018568831.db2.gz LYFHFVCVAJAAJI-UHFFFAOYSA-N -1 0 334.347 3.556 20 0 EHADRM CCOc1ccc(CNC(=O)CC(CC)(CC)C(=O)[O-])cc1Cl ZINC000340580887 1018575055 /nfs/dbraw/zinc/57/50/55/1018575055.db2.gz ZVLPBGFYYSEBRD-UHFFFAOYSA-N -1 0 341.835 3.636 20 0 EHADRM CCC[C@@](C)(NC(=O)N[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000580111820 1018657849 /nfs/dbraw/zinc/65/78/49/1018657849.db2.gz BEMACECNJJHBDF-MEBBXXQBSA-N -1 0 346.349 3.709 20 0 EHADRM Cc1cccc([C@@H]2CCCN2c2cc(C(C)(C)C)nc(C(=O)[O-])n2)n1 ZINC000580197082 1018772692 /nfs/dbraw/zinc/77/26/92/1018772692.db2.gz QJLRRMGBRDILBQ-AWEZNQCLSA-N -1 0 340.427 3.517 20 0 EHADRM CC[C@H](C)n1ncc2c1nc(/C=C\c1conc1C)cc2C(=O)[O-] ZINC000580202867 1018781086 /nfs/dbraw/zinc/78/10/86/1018781086.db2.gz UCDCTWZNWJDQNB-OMMCCPJFSA-N -1 0 326.356 3.567 20 0 EHADRM C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)[N-]OCC1CCC1 ZINC001167369023 1018813499 /nfs/dbraw/zinc/81/34/99/1018813499.db2.gz OEPSHPLZHBWDNY-INIZCTEOSA-N -1 0 339.435 3.893 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CCCc2occc2C1 ZINC000576360699 1018876348 /nfs/dbraw/zinc/87/63/48/1018876348.db2.gz RCLSDJMUHDVFJM-UHFFFAOYSA-N -1 0 325.286 3.593 20 0 EHADRM O=C([O-])[C@@H](CC1CC1)NC(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000580271925 1018902611 /nfs/dbraw/zinc/90/26/11/1018902611.db2.gz CZQDMVCALNHMAK-QGZVFWFLSA-N -1 0 346.427 3.521 20 0 EHADRM Cc1cccc(C[C@]2(C)CCCN2C(=O)c2cc(C(=O)[O-])co2)c1 ZINC000630340155 1018927482 /nfs/dbraw/zinc/92/74/82/1018927482.db2.gz FIWCVHWJLUDUSY-IBGZPJMESA-N -1 0 327.380 3.524 20 0 EHADRM Cc1c(COc2ccccc2)cccc1NC(=O)C1(C(=O)[O-])CCC1 ZINC000576402664 1018939518 /nfs/dbraw/zinc/93/95/18/1018939518.db2.gz JOQACOJXKFXXOV-UHFFFAOYSA-N -1 0 339.391 3.767 20 0 EHADRM CC(C)C1CCC(N(C)C(=O)N=c2[n-]nc(C(F)F)s2)CC1 ZINC000433515426 1019033176 /nfs/dbraw/zinc/03/31/76/1019033176.db2.gz BJSICQRUMIJZDK-UHFFFAOYSA-N -1 0 332.420 3.576 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2c(C)cccc2OC(F)F)c1 ZINC000433502646 1019035730 /nfs/dbraw/zinc/03/57/30/1019035730.db2.gz QPCAQDAMCBKRFQ-UHFFFAOYSA-N -1 0 341.379 3.960 20 0 EHADRM Cc1ccc(-c2ncc(C(=O)Nc3ncn(C(C)C)n3)s2)c(C)c1 ZINC000650280028 1019064703 /nfs/dbraw/zinc/06/47/03/1019064703.db2.gz IWHIPVOXBZBQEC-UHFFFAOYSA-N -1 0 341.440 3.852 20 0 EHADRM CC(C)(C)c1nc(CN[C@@]2(C(=O)[O-])CCc3c2cccc3F)cs1 ZINC000340671184 1019150853 /nfs/dbraw/zinc/15/08/53/1019150853.db2.gz KVKCOPDYEMWDBV-SFHVURJKSA-N -1 0 348.443 3.596 20 0 EHADRM CC(=Nc1c(O)cc(S(=O)(=O)[O-])c2ccccc21)c1ccccc1 ZINC001210987221 1019168471 /nfs/dbraw/zinc/16/84/71/1019168471.db2.gz INAZWNYLDDVDJM-UHFFFAOYSA-N -1 0 341.388 3.875 20 0 EHADRM Nc1ccc(F)c(Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)c1 ZINC001211835129 1019216256 /nfs/dbraw/zinc/21/62/56/1019216256.db2.gz VTOIEFUALLNBRP-UHFFFAOYSA-N -1 0 332.356 3.551 20 0 EHADRM Cc1ccnc(-c2nc3ccc(Oc4ccccc4)cc3c(=O)[n-]2)n1 ZINC000683920884 1019243305 /nfs/dbraw/zinc/24/33/05/1019243305.db2.gz ONMKQPRCIIFUPS-UHFFFAOYSA-N -1 0 330.347 3.893 20 0 EHADRM COc1c(Nc2ccc(C)nc2Br)cccc1C(=O)[O-] ZINC001211031791 1019247896 /nfs/dbraw/zinc/24/78/96/1019247896.db2.gz IDOQQPDVUKJDDE-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM CC(C)(C(=O)[N-]OCc1cc(F)cc2cccnc21)c1ccccc1 ZINC000729263848 1019253663 /nfs/dbraw/zinc/25/36/63/1019253663.db2.gz LVTFQYMQIKWXLH-UHFFFAOYSA-N -1 0 338.382 3.900 20 0 EHADRM COc1ccnc2c(NC(=O)c3ccc([O-])c(Cl)c3)cccc12 ZINC000092568609 1032830775 /nfs/dbraw/zinc/83/07/75/1032830775.db2.gz COCUFLJPLBTXNM-UHFFFAOYSA-N -1 0 328.755 3.855 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(SCc3ccccc3)cc2)C1 ZINC000261907570 1019493300 /nfs/dbraw/zinc/49/33/00/1019493300.db2.gz WAANLYLXZSIQPH-MRXNPFEDSA-N -1 0 341.432 3.526 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1cc(Br)c[nH]1 ZINC000548106788 1019539252 /nfs/dbraw/zinc/53/92/52/1019539252.db2.gz JWIHKCDPMZGZGV-UHFFFAOYSA-N -1 0 333.544 3.528 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1OC(F)F ZINC000513356807 1019576645 /nfs/dbraw/zinc/57/66/45/1019576645.db2.gz INJBMTOCMOPSCI-UHFFFAOYSA-N -1 0 349.305 3.675 20 0 EHADRM Cc1cc(F)ccc1CCNC(=O)CC1(C(=O)[O-])CCCCCC1 ZINC000325702408 1032840777 /nfs/dbraw/zinc/84/07/77/1032840777.db2.gz PNYRDIJMSFLFIQ-UHFFFAOYSA-N -1 0 335.419 3.608 20 0 EHADRM Oc1cnccc1C[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC001140277013 1019630332 /nfs/dbraw/zinc/63/03/32/1019630332.db2.gz PDZKLUMTHKIXAI-OAHLLOKOSA-N -1 0 333.229 3.887 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccccc2OCC(F)F)c1F ZINC000513438865 1019671768 /nfs/dbraw/zinc/67/17/68/1019671768.db2.gz UGOKXCGXZSVTNE-UHFFFAOYSA-N -1 0 345.342 3.579 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)c1F ZINC000513462855 1019705691 /nfs/dbraw/zinc/70/56/91/1019705691.db2.gz HDDDWBOFTDRUQS-UHFFFAOYSA-N -1 0 335.400 3.724 20 0 EHADRM Cc1cccc(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)c1 ZINC000263079013 1019806212 /nfs/dbraw/zinc/80/62/12/1019806212.db2.gz KTCDQNRIRWCHPW-DLBZAZTESA-N -1 0 343.810 3.589 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)c(C)o1 ZINC000345115361 1019960049 /nfs/dbraw/zinc/96/00/49/1019960049.db2.gz IWXUNFTXQOSVOY-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM O=S(=O)([N-]c1cnoc1C1CC1)c1ccc(Cl)cc1Cl ZINC000414388378 1020357470 /nfs/dbraw/zinc/35/74/70/1020357470.db2.gz LQSIGNNYSKEGAT-UHFFFAOYSA-N -1 0 333.196 3.660 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)C(=O)c1ccc(Cl)s1 ZINC000345617961 1020389559 /nfs/dbraw/zinc/38/95/59/1020389559.db2.gz GCAQWHDKLTZMFH-UHFFFAOYSA-N -1 0 334.155 3.721 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cc(-c2cccs2)[nH]n1 ZINC000345596963 1020392775 /nfs/dbraw/zinc/39/27/75/1020392775.db2.gz YMOPUMIQLIJCPB-UHFFFAOYSA-N -1 0 337.763 3.889 20 0 EHADRM CCc1cc(NC(=O)N(CC(=O)[O-])Cc2ccccc2)ccc1C ZINC000581064934 1020396858 /nfs/dbraw/zinc/39/68/58/1020396858.db2.gz CBGPZDORIUEYPE-UHFFFAOYSA-N -1 0 326.396 3.676 20 0 EHADRM CC(C)[C@H](C(=O)[O-])[S@](=O)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000581175834 1020502531 /nfs/dbraw/zinc/50/25/31/1020502531.db2.gz YTGOWPQFESKZSM-QZMQVMSPSA-N -1 0 334.412 3.773 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc(Br)c(Cl)c1 ZINC000263534943 1020508231 /nfs/dbraw/zinc/50/82/31/1020508231.db2.gz YQPDXJHDRZWJGG-KOLCDFICSA-N -1 0 346.652 3.788 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@H](C)Sc1ccccc1 ZINC000345864222 1020563506 /nfs/dbraw/zinc/56/35/06/1020563506.db2.gz MOOFLZDAZWTNNZ-ZDUSSCGKSA-N -1 0 345.420 3.578 20 0 EHADRM C[C@@H]1[C@H](C(=O)N=c2nc(Cc3ccccc3)[n-]s2)[C@H]1c1ccccc1 ZINC000430550422 1020646923 /nfs/dbraw/zinc/64/69/23/1020646923.db2.gz ONLKERQGQMPASM-VHSSKADRSA-N -1 0 349.459 3.539 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C1CC2(C1)CCCCC2 ZINC000656475783 1020691284 /nfs/dbraw/zinc/69/12/84/1020691284.db2.gz ZZZSLSDNBYPCRY-UHFFFAOYSA-N -1 0 331.412 3.757 20 0 EHADRM O=C([O-])C1(CC(=O)NCc2ccc(Cl)c(Cl)c2)CCCC1 ZINC000656487097 1020711258 /nfs/dbraw/zinc/71/12/58/1020711258.db2.gz WPUDOUAUXNTDRK-UHFFFAOYSA-N -1 0 330.211 3.645 20 0 EHADRM C[C@@](CC(=O)Nc1ccc(Cl)c(F)c1)(C(=O)[O-])c1ccccc1 ZINC000048383350 1020732284 /nfs/dbraw/zinc/73/22/84/1020732284.db2.gz QHMBUVMIQKKYKY-KRWDZBQOSA-N -1 0 335.762 3.850 20 0 EHADRM CCOc1cc(/C=C\C(=O)Nc2cccc(Cl)c2[O-])ccc1O ZINC000588412955 1020927352 /nfs/dbraw/zinc/92/73/52/1020927352.db2.gz JQFHGCGMXDSCKO-CLFYSBASSA-N -1 0 333.771 3.802 20 0 EHADRM Cc1cc(C)n(CCC(=O)Nc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000760428213 1032945234 /nfs/dbraw/zinc/94/52/34/1032945234.db2.gz YBKPXCSZEBBYFO-UHFFFAOYSA-N -1 0 328.199 3.541 20 0 EHADRM Cc1cc(N(C)C)cc(C)c1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000156212274 1020951252 /nfs/dbraw/zinc/95/12/52/1020951252.db2.gz XLQCOUNZGLRCFX-UHFFFAOYSA-N -1 0 344.889 3.885 20 0 EHADRM CSc1ccc(C(=O)N=c2[n-]nc(-c3ccsc3)s2)cc1 ZINC000341097519 1020976967 /nfs/dbraw/zinc/97/69/67/1020976967.db2.gz WRVWHQDIKHPBMD-UHFFFAOYSA-N -1 0 333.463 3.663 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc3c(c2)C=CCCC3)C1 ZINC000656604517 1020991303 /nfs/dbraw/zinc/99/13/03/1020991303.db2.gz GPPGGYSJXZPFME-CZUORRHYSA-N -1 0 328.412 3.611 20 0 EHADRM CO[C@@H](CS(=O)(=O)Nc1ccc2[nH]ccc2c1)C1CCCCC1 ZINC000656616862 1021035539 /nfs/dbraw/zinc/03/55/39/1021035539.db2.gz UFELIMHOJUBOJI-KRWDZBQOSA-N -1 0 336.457 3.505 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(F)F)nc2)c(C)c1 ZINC000656634332 1021063887 /nfs/dbraw/zinc/06/38/87/1021063887.db2.gz UHPXYADQWOIJHB-UHFFFAOYSA-N -1 0 326.368 3.745 20 0 EHADRM Cc1cc(OCCCC(=O)N=c2ccc(C3CC3)n[n-]2)ccc1Cl ZINC000341200523 1021088804 /nfs/dbraw/zinc/08/88/04/1021088804.db2.gz VEDSQNPJCSMTHI-UHFFFAOYSA-N -1 0 345.830 3.535 20 0 EHADRM O=C(N=c1cc(-c2cccs2)[nH][nH]1)[C@H]1SCCc2ccccc21 ZINC000439117746 1021163334 /nfs/dbraw/zinc/16/33/34/1021163334.db2.gz KAFHBYWZLRVGAB-INIZCTEOSA-N -1 0 341.461 3.529 20 0 EHADRM O=c1cc([C@H]2CCN(c3nc4cc(Cl)cc(Cl)c4o3)C2)[nH][nH]1 ZINC000894375133 1021163356 /nfs/dbraw/zinc/16/33/56/1021163356.db2.gz MQKIBCYXMKLNGQ-ZETCQYMHSA-N -1 0 339.182 3.557 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CC[C@H](c2cccc(F)c2)C1 ZINC000436780362 1021210297 /nfs/dbraw/zinc/21/02/97/1021210297.db2.gz ZVDPQNGKSHBTTJ-NSHDSACASA-N -1 0 337.753 3.954 20 0 EHADRM CCOc1cc(/C=C\c2nc3ccc(C(=O)[O-])cc3o2)ccc1O ZINC000436783807 1021223359 /nfs/dbraw/zinc/22/33/59/1021223359.db2.gz NPUUXDUFTOUMRL-YWEYNIOJSA-N -1 0 325.320 3.801 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nccc(C)c2C2CC2)c(F)cc1F ZINC000656737888 1021234725 /nfs/dbraw/zinc/23/47/25/1021234725.db2.gz CCSSPUSNVTYEKG-UHFFFAOYSA-N -1 0 338.379 3.655 20 0 EHADRM Cc1cccc2cc(S(=O)(=O)[N-]c3c[nH]nc3C3CC3)sc21 ZINC000656739409 1021234901 /nfs/dbraw/zinc/23/49/01/1021234901.db2.gz RAMMWPXNYUISML-UHFFFAOYSA-N -1 0 333.438 3.611 20 0 EHADRM O=C(c1c([O-])cc(Cl)cc1Cl)N1CCOC[C@H](C2CCC2)C1 ZINC000436790432 1021235138 /nfs/dbraw/zinc/23/51/38/1021235138.db2.gz HODLVNYUQKCPKE-LLVKDONJSA-N -1 0 344.238 3.588 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(C3(C)CCCC3)on2)s1 ZINC000581644812 1021245133 /nfs/dbraw/zinc/24/51/33/1021245133.db2.gz WRCNWJRCMWTOCC-UHFFFAOYSA-N -1 0 326.443 3.677 20 0 EHADRM CCC[C@@H]1CCCN(C(=O)c2cc(F)cc(Br)c2[O-])C1 ZINC000436853938 1021279517 /nfs/dbraw/zinc/27/95/17/1021279517.db2.gz DOIOOOAKQHWMEA-SNVBAGLBSA-N -1 0 344.224 3.946 20 0 EHADRM O=C(NCc1cc(-c2ccccc2)no1)c1cc(F)c([O-])c(Cl)c1 ZINC000436853940 1021279554 /nfs/dbraw/zinc/27/95/54/1021279554.db2.gz DOMONADLBKOTKU-UHFFFAOYSA-N -1 0 346.745 3.770 20 0 EHADRM CC[C@H]1CN(C(=O)c2cc(OC)ccc2O)c2cccc(Cl)c2O1 ZINC000436839413 1021283832 /nfs/dbraw/zinc/28/38/32/1021283832.db2.gz MEBNSMXROVVLLB-NSHDSACASA-N -1 0 347.798 3.872 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)c1F ZINC000427292723 1021284131 /nfs/dbraw/zinc/28/41/31/1021284131.db2.gz TUXSAYDEDIZCFE-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM CC[C@@H]1CN(C(=O)c2cccc(OC)c2O)c2cccc(Cl)c2O1 ZINC000436840812 1021284297 /nfs/dbraw/zinc/28/42/97/1021284297.db2.gz RUNFGDALQZKSNM-LLVKDONJSA-N -1 0 347.798 3.872 20 0 EHADRM Cc1cc(S(=O)(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)sc1Cl ZINC000473857719 1021291790 /nfs/dbraw/zinc/29/17/90/1021291790.db2.gz ZBJQBLVDNHLXAU-VXGBXAGGSA-N -1 0 345.848 3.683 20 0 EHADRM O=C([O-])c1ccc2nc(/C=C/c3cnn(Cc4ccccc4)c3)oc2c1 ZINC000439267013 1021294237 /nfs/dbraw/zinc/29/42/37/1021294237.db2.gz CEBPVJKUWWUIFS-RMKNXTFCSA-N -1 0 345.358 3.941 20 0 EHADRM CC(C)Cc1n[n-]c(=NCc2cn(C)nc2C2CCCCC2)s1 ZINC000342533450 1021296588 /nfs/dbraw/zinc/29/65/88/1021296588.db2.gz XAAOBBFHGIJFTM-UHFFFAOYSA-N -1 0 333.505 3.552 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cccc(Br)c2)c1 ZINC000436862820 1021299706 /nfs/dbraw/zinc/29/97/06/1021299706.db2.gz PXNGMXVNVCIXHX-UHFFFAOYSA-N -1 0 334.169 3.610 20 0 EHADRM O=C([O-])c1ccc2nc(/C=C\c3ccn(-c4ccccc4)n3)oc2c1 ZINC000439271305 1021306764 /nfs/dbraw/zinc/30/67/64/1021306764.db2.gz ISRJTGUHGNXRNJ-CLFYSBASSA-N -1 0 331.331 3.882 20 0 EHADRM COCCOc1cccc(/C=C/c2nc3c(cccc3C(=O)[O-])o2)c1 ZINC000439277517 1021312488 /nfs/dbraw/zinc/31/24/88/1021312488.db2.gz VBEVNDSCXIXPNB-CMDGGOBGSA-N -1 0 339.347 3.722 20 0 EHADRM O=C([O-])c1cncc(NC(CCC(F)(F)F)CCC(F)(F)F)n1 ZINC000656782052 1021321716 /nfs/dbraw/zinc/32/17/16/1021321716.db2.gz AWADSZRMBWDXAL-UHFFFAOYSA-N -1 0 345.243 3.640 20 0 EHADRM O=C([O-])c1coc(NC(CCC(F)(F)F)CCC(F)(F)F)n1 ZINC000656783529 1021322380 /nfs/dbraw/zinc/32/23/80/1021322380.db2.gz LJULGQZJOYNZSP-UHFFFAOYSA-N -1 0 334.216 3.838 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCc2cc(F)c(F)cc21 ZINC000436904327 1021348763 /nfs/dbraw/zinc/34/87/63/1021348763.db2.gz YQSSROAHYDEKTQ-UHFFFAOYSA-N -1 0 327.689 3.666 20 0 EHADRM CC(C)c1ncc(NC(=O)c2c([O-])cc(Cl)cc2Cl)cn1 ZINC000436926541 1021386049 /nfs/dbraw/zinc/38/60/49/1021386049.db2.gz KCXPWQCZLVFGSQ-UHFFFAOYSA-N -1 0 326.183 3.865 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000436967981 1021414605 /nfs/dbraw/zinc/41/46/05/1021414605.db2.gz RWMHNGOEMMOSOT-HVHJFMEUSA-N -1 0 329.346 3.988 20 0 EHADRM Cc1cc(-c2noc(-c3ccc(Br)cc3[O-])n2)ccn1 ZINC000436958682 1021423474 /nfs/dbraw/zinc/42/34/74/1021423474.db2.gz IUSQUOHDFBKICL-UHFFFAOYSA-N -1 0 332.157 3.575 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCc2ccc(F)c(F)c2C1 ZINC000436960054 1021424274 /nfs/dbraw/zinc/42/42/74/1021424274.db2.gz GJJYXAHCBXJRDL-UHFFFAOYSA-N -1 0 341.716 3.661 20 0 EHADRM O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)c1c([O-])cccc1F ZINC000436969425 1021438702 /nfs/dbraw/zinc/43/87/02/1021438702.db2.gz YEIRKRKEZQEGKT-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM C[C@H](NC(=O)c1cc(F)cc(Cl)c1[O-])c1ccc(Cl)cn1 ZINC000436991340 1021445755 /nfs/dbraw/zinc/44/57/55/1021445755.db2.gz SLTJRPGWLMJAIM-ZETCQYMHSA-N -1 0 329.158 3.724 20 0 EHADRM O=C(Nc1ccc(F)cc1F)c1cc(F)cc(Br)c1[O-] ZINC000437000881 1021471932 /nfs/dbraw/zinc/47/19/32/1021471932.db2.gz OMYFHHOKRUOTCC-UHFFFAOYSA-N -1 0 346.102 3.824 20 0 EHADRM CCN(CC)[C@@H](CN=c1[n-]nc(C2CC2)o1)c1ccccc1Cl ZINC000341344501 1021475755 /nfs/dbraw/zinc/47/57/55/1021475755.db2.gz NZIRUVPYJYLYHC-HNNXBMFYSA-N -1 0 334.851 3.517 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N1CCCCC[C@H]1c1ccccc1 ZINC000909405202 1021502240 /nfs/dbraw/zinc/50/22/40/1021502240.db2.gz UGEVHFWWASFRHE-INIZCTEOSA-N -1 0 327.380 3.664 20 0 EHADRM COc1cccc(NC(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1 ZINC000519680329 1021606081 /nfs/dbraw/zinc/60/60/81/1021606081.db2.gz GKFVGUPVHUPHQT-YOEHRIQHSA-N -1 0 346.427 3.583 20 0 EHADRM Cc1nnc([N-]S(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)s1 ZINC000437199800 1021637227 /nfs/dbraw/zinc/63/72/27/1021637227.db2.gz RVJBKCYJHQDBPV-UHFFFAOYSA-N -1 0 339.486 3.562 20 0 EHADRM Cc1ccc(S[C@@H](C)C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000439720241 1021672197 /nfs/dbraw/zinc/67/21/97/1021672197.db2.gz QDIJEIPGMBTZCC-XJKSGUPXSA-N -1 0 341.432 3.691 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)N[C@H](CC(=O)[O-])C1CCCCC1 ZINC000519756868 1021673966 /nfs/dbraw/zinc/67/39/66/1021673966.db2.gz DVSXCJMXMKZMSO-KBXCAEBGSA-N -1 0 349.446 3.934 20 0 EHADRM Cc1ccc(NC(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cc1 ZINC000519802716 1021693168 /nfs/dbraw/zinc/69/31/68/1021693168.db2.gz GNQFOBSTGUNLJL-DOTOQJQBSA-N -1 0 330.428 3.882 20 0 EHADRM Fc1cc(CN=c2nc(C3CCCC3)[n-]s2)ccc1-n1ccnc1 ZINC000519817682 1021702342 /nfs/dbraw/zinc/70/23/42/1021702342.db2.gz QMSDUZHPVLNXBK-UHFFFAOYSA-N -1 0 343.431 3.555 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1ccccc1SC(F)F ZINC000262001285 1021711024 /nfs/dbraw/zinc/71/10/24/1021711024.db2.gz VCSLRLZSXOOZOO-UHFFFAOYSA-N -1 0 332.372 3.766 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)c(Cl)cn1)c1ccc2c(c1)CCC2 ZINC000437300788 1021714625 /nfs/dbraw/zinc/71/46/25/1021714625.db2.gz BSQLJNYGWBNMDV-UHFFFAOYSA-N -1 0 343.235 3.678 20 0 EHADRM CCSc1ccc(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1 ZINC000439908137 1021804592 /nfs/dbraw/zinc/80/45/92/1021804592.db2.gz GUPCGGDSIAMNNW-KRWDZBQOSA-N -1 0 341.432 3.623 20 0 EHADRM CC(C)c1ccc(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])s1 ZINC000439917465 1021825675 /nfs/dbraw/zinc/82/56/75/1021825675.db2.gz IRLQCGLYBAXPCM-INIZCTEOSA-N -1 0 329.421 3.696 20 0 EHADRM CCSc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000439927083 1021832869 /nfs/dbraw/zinc/83/28/69/1021832869.db2.gz WWFHDSXHKRYPEG-MRXNPFEDSA-N -1 0 329.421 3.744 20 0 EHADRM Cc1cc(Br)cc(C)c1NS(=O)(=O)c1ccsc1 ZINC000506722080 1021836751 /nfs/dbraw/zinc/83/67/51/1021836751.db2.gz NFWUZJXPEYKHRP-UHFFFAOYSA-N -1 0 346.271 3.928 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)N[C@@H](CC(=O)[O-])c1ccccc1C ZINC000439932904 1021841630 /nfs/dbraw/zinc/84/16/30/1021841630.db2.gz XYHPHVQZHMSALV-INIZCTEOSA-N -1 0 331.799 3.903 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000581834391 1021851283 /nfs/dbraw/zinc/85/12/83/1021851283.db2.gz NAKZBYNZLLUKMR-OCCSQVGLSA-N -1 0 325.330 3.672 20 0 EHADRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc2ccc(O)cc21 ZINC000439992051 1021884130 /nfs/dbraw/zinc/88/41/30/1021884130.db2.gz ZCIHMHSWKWSQGJ-UHFFFAOYSA-N -1 0 331.368 3.794 20 0 EHADRM CC(C)c1nc2cc(NC(=O)N(CC(=O)[O-])C3CCCC3)ccc2o1 ZINC000581862207 1021929830 /nfs/dbraw/zinc/92/98/30/1021929830.db2.gz BCOWCSPQCWHBGF-UHFFFAOYSA-N -1 0 345.399 3.812 20 0 EHADRM Cn1cc(/C=C/c2nc3ccc(C(=O)[O-])cc3o2)c(C(C)(C)C)n1 ZINC000416392920 1021934557 /nfs/dbraw/zinc/93/45/57/1021934557.db2.gz TXENJZLSEQTJGU-SOFGYWHQSA-N -1 0 325.368 3.727 20 0 EHADRM COC[C@@H](C)Nc1ccccc1NC(=O)c1ccc([O-])c(Cl)c1 ZINC000437590947 1021981438 /nfs/dbraw/zinc/98/14/38/1021981438.db2.gz NPGIGOCXDPODDV-LLVKDONJSA-N -1 0 334.803 3.745 20 0 EHADRM Cc1nc2ccc(C(=O)Nc3cc(Cl)c([O-])cc3F)cc2nc1C ZINC000170205129 1033028131 /nfs/dbraw/zinc/02/81/31/1033028131.db2.gz AKBHYSOIMLBMMP-UHFFFAOYSA-N -1 0 345.761 3.997 20 0 EHADRM Cc1nc([N-]S(=O)(=O)c2ccoc2)sc1Cc1ccc(C)cc1 ZINC000506816980 1022085370 /nfs/dbraw/zinc/08/53/70/1022085370.db2.gz AOCLQABFBNOHGX-UHFFFAOYSA-N -1 0 348.449 3.745 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(c2nccc3c(Br)cccc32)C1 ZINC000399061768 1022120129 /nfs/dbraw/zinc/12/01/29/1022120129.db2.gz JEYLRFKSQPFGFF-QWRGUYRKSA-N -1 0 349.228 3.544 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-]c2nnc(C3CCCCC3)o2)cc1C ZINC000574313891 1033035303 /nfs/dbraw/zinc/03/53/03/1033035303.db2.gz ZDEBIPFEBLDDBH-UHFFFAOYSA-N -1 0 349.456 3.676 20 0 EHADRM CC[C@H](C)[C@@H]1CCCCN1C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000550323509 1022198476 /nfs/dbraw/zinc/19/84/76/1022198476.db2.gz FCGIHEWJTCGQJA-BBRMVZONSA-N -1 0 345.418 3.758 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1SCCc2ccccc21)C1CCCCC1 ZINC000345976105 1022239379 /nfs/dbraw/zinc/23/93/79/1022239379.db2.gz IWHRXRCYOUHMPU-WMZOPIPTSA-N -1 0 347.480 3.557 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)NCCCCCCCC(=O)[O-] ZINC000262079873 1022245259 /nfs/dbraw/zinc/24/52/59/1022245259.db2.gz BJJLYFJEDCHYIC-UHFFFAOYSA-N -1 0 340.489 3.904 20 0 EHADRM Cc1ccnc(Oc2ccc(NC(=O)c3c([O-])cccc3F)cc2)n1 ZINC000187828907 1022251567 /nfs/dbraw/zinc/25/15/67/1022251567.db2.gz FFCOIBBMGXURFB-UHFFFAOYSA-N -1 0 339.326 3.674 20 0 EHADRM CC(C)[C@H](C(=O)Nc1cccc(Cl)c1[O-])C(=O)OC(C)(C)C ZINC000517374959 1022291727 /nfs/dbraw/zinc/29/17/27/1022291727.db2.gz QESKAZAQTFTKTJ-GFCCVEGCSA-N -1 0 327.808 3.598 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N2C[C@H](C)[C@H](C)C2)s1)c1ccccc1 ZINC000438017861 1022326279 /nfs/dbraw/zinc/32/62/79/1022326279.db2.gz XWKBWLOPSBLKNM-VNHYZAJKSA-N -1 0 344.484 3.622 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655574481 1022383509 /nfs/dbraw/zinc/38/35/09/1022383509.db2.gz AKAPRXNIOBGCQU-QROFKTNTSA-N -1 0 335.488 3.845 20 0 EHADRM CCCN(C(=O)c1s[n-]c(=O)c1Cl)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000328748421 1022480649 /nfs/dbraw/zinc/48/06/49/1022480649.db2.gz BHGYSNWHTJDVIN-NXEZZACHSA-N -1 0 346.880 3.558 20 0 EHADRM Cc1ccc([C@@H]2OCCC[C@@H]2CN=c2[n-]nc(C(F)F)s2)cc1 ZINC000517612782 1022499104 /nfs/dbraw/zinc/49/91/04/1022499104.db2.gz AAETWBVDGIRGGV-OLZOCXBDSA-N -1 0 339.411 3.786 20 0 EHADRM Cc1ccc([C@@H]2OCCC[C@H]2CN=c2[n-]nc(C(F)F)s2)cc1 ZINC000517612784 1022499470 /nfs/dbraw/zinc/49/94/70/1022499470.db2.gz AAETWBVDGIRGGV-STQMWFEESA-N -1 0 339.411 3.786 20 0 EHADRM Brc1cccc(C2(CN=c3[n-]nc(C4CC4)o3)CCC2)c1 ZINC000341605210 1022526232 /nfs/dbraw/zinc/52/62/32/1022526232.db2.gz ZWBDDFZBLRMGJS-UHFFFAOYSA-N -1 0 348.244 3.665 20 0 EHADRM CC[C@@H]1CC[C@H](C(=O)Nc2cc(Cl)cc(Br)c2[O-])O1 ZINC000330498117 1022596696 /nfs/dbraw/zinc/59/66/96/1022596696.db2.gz ZTNQXBNFKAXPPR-LDYMZIIASA-N -1 0 348.624 3.704 20 0 EHADRM CCN(Cc1c(F)cccc1F)C(=O)c1ccc([O-])c(Cl)c1 ZINC000101678453 1022641763 /nfs/dbraw/zinc/64/17/63/1022641763.db2.gz YIDQADGIUKOZAD-UHFFFAOYSA-N -1 0 325.742 3.986 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2n[nH]c(-c3ccccc3)c2C)s1 ZINC000536307318 1022646429 /nfs/dbraw/zinc/64/64/29/1022646429.db2.gz FHWLEIVTIROQTI-UHFFFAOYSA-N -1 0 347.465 3.810 20 0 EHADRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(C)sc2C)c1C ZINC000331099482 1022740364 /nfs/dbraw/zinc/74/03/64/1022740364.db2.gz NWZPIYQLDRMBAX-VIFPVBQESA-N -1 0 327.475 3.642 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2nsc(-c3ccccc3)n2)c1 ZINC000476238146 1033077999 /nfs/dbraw/zinc/07/79/99/1033077999.db2.gz NFOWVRYTWXSPPJ-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM CCc1nc(C)c([N-]S(=O)(=O)c2cccc(C)c2Cl)s1 ZINC000331128727 1022760612 /nfs/dbraw/zinc/76/06/12/1022760612.db2.gz RNASNVSDKHJPHZ-UHFFFAOYSA-N -1 0 330.862 3.777 20 0 EHADRM C[C@@H]1[C@@H](C(=O)N=c2ccc(-c3ccccc3)n[n-]2)[C@H]1c1ccccc1 ZINC000430838056 1022766913 /nfs/dbraw/zinc/76/69/13/1022766913.db2.gz NQCPBCIDAYSZIG-VHKYSDTDSA-N -1 0 329.403 3.554 20 0 EHADRM COc1ccccc1C[C@H](C)N(C)C(=O)c1ccc([O-])c(Cl)c1 ZINC000131951517 1022795592 /nfs/dbraw/zinc/79/55/92/1022795592.db2.gz UAKFKVXGSQIEHZ-LBPRGKRZSA-N -1 0 333.815 3.757 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc1F ZINC000655587160 1022877359 /nfs/dbraw/zinc/87/73/59/1022877359.db2.gz NVLSKJGEUMZMDQ-OLZOCXBDSA-N -1 0 337.391 3.690 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000517961479 1022886166 /nfs/dbraw/zinc/88/61/66/1022886166.db2.gz QCDZNBMVDVXQCZ-HWPZZCPQSA-N -1 0 327.371 3.669 20 0 EHADRM COc1cccc(-c2nc(=NC(=O)C3(C)CCCCC3)s[n-]2)c1 ZINC000548402100 1022921407 /nfs/dbraw/zinc/92/14/07/1022921407.db2.gz CVMUYOCPZNCRHM-UHFFFAOYSA-N -1 0 331.441 3.545 20 0 EHADRM Cc1ccc(Cl)c(NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])c1 ZINC000550271288 1022938953 /nfs/dbraw/zinc/93/89/53/1022938953.db2.gz OCRFGGOLJVPXBK-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)[C@H]1CCCc2ccccc21 ZINC000262057951 1022943099 /nfs/dbraw/zinc/94/30/99/1022943099.db2.gz GOTWSHLCDSIUDL-RBUKOAKNSA-N -1 0 337.419 3.747 20 0 EHADRM Cc1nc(CNCc2cccc(Cl)c2Cl)sc1C(=O)[O-] ZINC000426693365 1022980258 /nfs/dbraw/zinc/98/02/58/1022980258.db2.gz CYTNJARVZBNABB-UHFFFAOYSA-N -1 0 331.224 3.746 20 0 EHADRM CSc1ccccc1C(=O)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000048529987 1023003703 /nfs/dbraw/zinc/00/37/03/1023003703.db2.gz WRJBQDRUTPZBMA-QXMHVHEDSA-N -1 0 333.434 3.714 20 0 EHADRM Cc1cc(Cl)ccc1CN[C@@H](C(=O)[O-])c1c(F)cccc1F ZINC000426737825 1023006981 /nfs/dbraw/zinc/00/69/81/1023006981.db2.gz QPDZJERSTJOLJP-OAHLLOKOSA-N -1 0 325.742 3.842 20 0 EHADRM COc1ccc(CN[C@@H](C(=O)[O-])c2c(F)cccc2F)c(Cl)c1 ZINC000426738447 1023008043 /nfs/dbraw/zinc/00/80/43/1023008043.db2.gz WGOJGUYGQYITRJ-OAHLLOKOSA-N -1 0 341.741 3.542 20 0 EHADRM O=C([O-])[C@@H](CC1CCCC1)NCc1nc(-c2ccccc2)cs1 ZINC000426763987 1023015572 /nfs/dbraw/zinc/01/55/72/1023015572.db2.gz VBVXUZRBHPUIGF-OAHLLOKOSA-N -1 0 330.453 3.933 20 0 EHADRM CCCn1ccc2ccc(NC(=O)N3CCC[C@@H](CC(=O)[O-])C3)cc21 ZINC000518138288 1023016228 /nfs/dbraw/zinc/01/62/28/1023016228.db2.gz MDKCYBJAYYSJTM-AWEZNQCLSA-N -1 0 343.427 3.770 20 0 EHADRM C=CCOc1ccccc1C(=O)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000048531183 1023017053 /nfs/dbraw/zinc/01/70/53/1023017053.db2.gz DXPKKVYRVCGPHF-WYMLVPIESA-N -1 0 343.404 3.557 20 0 EHADRM CC(C)COc1cccc(CN[C@@H](C(=O)[O-])c2c(F)cccc2F)c1 ZINC000426751387 1023023090 /nfs/dbraw/zinc/02/30/90/1023023090.db2.gz VNVKZMOQWMTGGI-GOSISDBHSA-N -1 0 349.377 3.915 20 0 EHADRM CO[C@H](C)c1nc(=N[C@H](C)c2cccc(OC(F)(F)F)c2)s[n-]1 ZINC000509547043 1023025480 /nfs/dbraw/zinc/02/54/80/1023025480.db2.gz YFCUOTMYPZZYEE-RKDXNWHRSA-N -1 0 347.362 3.739 20 0 EHADRM CC[C@H](Cc1ccc(Cl)cc1)N=c1nc([C@@H](C)OC)[n-]s1 ZINC000509546400 1023037712 /nfs/dbraw/zinc/03/77/12/1023037712.db2.gz VQFMHHOZWSHICR-ZWNOBZJWSA-N -1 0 325.865 3.754 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NCc2sccc2Br)o1 ZINC000426782194 1023041025 /nfs/dbraw/zinc/04/10/25/1023041025.db2.gz DTIKZVWJHVYDRO-SNVBAGLBSA-N -1 0 344.230 3.718 20 0 EHADRM O=C([O-])[C@@H](NCc1ccc(-c2ccncc2)cc1F)c1ccsc1 ZINC000426784852 1023042890 /nfs/dbraw/zinc/04/28/90/1023042890.db2.gz TYXLBEJPRPOMLY-KRWDZBQOSA-N -1 0 342.395 3.865 20 0 EHADRM Cc1c(F)cccc1-c1ccc(CN[C@@H](Cc2ccco2)C(=O)[O-])o1 ZINC000426807642 1023045537 /nfs/dbraw/zinc/04/55/37/1023045537.db2.gz IJLVGEMEIMGILX-KRWDZBQOSA-N -1 0 343.354 3.773 20 0 EHADRM O=c1[nH]c(CNC2(c3ccc(F)cc3)CC2)nc2c3ccccc3oc21 ZINC000341704514 1023071261 /nfs/dbraw/zinc/07/12/61/1023071261.db2.gz SBNWKOAUNJUPNX-UHFFFAOYSA-N -1 0 349.365 4.000 20 0 EHADRM O=C([O-])[C@H](NCc1csc(-c2ccccc2)n1)c1ccsc1 ZINC000426836354 1023073804 /nfs/dbraw/zinc/07/38/04/1023073804.db2.gz UCWKDGKDLSWPAS-CQSZACIVSA-N -1 0 330.434 3.787 20 0 EHADRM CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000507008511 1023074448 /nfs/dbraw/zinc/07/44/48/1023074448.db2.gz UVPCXOLGUWHCNU-UHFFFAOYSA-N -1 0 340.832 3.633 20 0 EHADRM COc1ccc(F)cc1[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000507012338 1023076379 /nfs/dbraw/zinc/07/63/79/1023076379.db2.gz ILXWCQZXKFQSKJ-UHFFFAOYSA-N -1 0 331.368 3.788 20 0 EHADRM CC(C)(C)c1cc(CS(=O)(=O)Nc2ccc(F)cc2Cl)no1 ZINC000430987535 1023093301 /nfs/dbraw/zinc/09/33/01/1023093301.db2.gz KYMFEWOYFCTNHL-UHFFFAOYSA-N -1 0 346.811 3.707 20 0 EHADRM FC(F)(F)c1ccccc1[C@H]1C[C@@H]1N=c1nc(C2CC2)[n-]s1 ZINC000426904695 1023106905 /nfs/dbraw/zinc/10/69/05/1023106905.db2.gz JFSGNWRHSVMTAN-PWSUYJOCSA-N -1 0 325.359 3.824 20 0 EHADRM CN(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1C(=O)[O-] ZINC000537472987 1033108054 /nfs/dbraw/zinc/10/80/54/1033108054.db2.gz BRXGHDSWBMKQSM-UHFFFAOYSA-N -1 0 331.799 3.629 20 0 EHADRM COc1ccc(N(Cc2ccccc2)C(=O)c2ncccc2[O-])cc1 ZINC000427003438 1023162857 /nfs/dbraw/zinc/16/28/57/1023162857.db2.gz WRAFOFARPFXRBO-UHFFFAOYSA-N -1 0 334.375 3.643 20 0 EHADRM CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)C1=CCCCC1 ZINC000295171727 1023179838 /nfs/dbraw/zinc/17/98/38/1023179838.db2.gz GPCCZCCYOHKPDO-UHFFFAOYSA-N -1 0 337.441 3.779 20 0 EHADRM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)c(C)s2)cc1 ZINC000091014256 1023190200 /nfs/dbraw/zinc/19/02/00/1023190200.db2.gz AMRACKYEZYOIIP-UHFFFAOYSA-N -1 0 338.454 3.514 20 0 EHADRM COc1cc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)c(C)cc1C ZINC000684559183 1023323469 /nfs/dbraw/zinc/32/34/69/1023323469.db2.gz UNMLNAJXFLOFOY-OAHLLOKOSA-N -1 0 327.380 3.509 20 0 EHADRM CC(C)(CCC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-])c1ccccc1 ZINC000431218903 1023532049 /nfs/dbraw/zinc/53/20/49/1023532049.db2.gz XFRHZGYCNZUCFB-NXHRZFHOSA-N -1 0 343.467 3.989 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2scnc2C2CC2)c1 ZINC000535685417 1023563996 /nfs/dbraw/zinc/56/39/96/1023563996.db2.gz IVIDXDXGHMOQAO-UHFFFAOYSA-N -1 0 345.449 3.678 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)s2)cc1 ZINC000535780408 1023638786 /nfs/dbraw/zinc/63/87/86/1023638786.db2.gz DGTIKULSHIDNAU-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)NCCc1cccc2ccccc21 ZINC000537476098 1033170520 /nfs/dbraw/zinc/17/05/20/1033170520.db2.gz RNNYQUOYCJMIJL-UHFFFAOYSA-N -1 0 347.414 3.830 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000522539932 1024051433 /nfs/dbraw/zinc/05/14/33/1024051433.db2.gz ODVYZEIMANJKRY-QZTJIDSGSA-N -1 0 329.403 3.671 20 0 EHADRM CC(C)c1ccc(CCC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000236635539 1024053957 /nfs/dbraw/zinc/05/39/57/1024053957.db2.gz YMTXXEUZZYPJRM-GOSISDBHSA-N -1 0 331.456 3.989 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000191205285 1024057343 /nfs/dbraw/zinc/05/73/43/1024057343.db2.gz OFOIBKJJVYDUDM-AEFFLSMTSA-N -1 0 331.456 3.749 20 0 EHADRM O=C([O-])CCCCOc1ccc(-c2cc(C(F)(F)F)[nH]n2)cc1 ZINC000657202892 1024076001 /nfs/dbraw/zinc/07/60/01/1024076001.db2.gz BMVPGKAWUZVPPU-UHFFFAOYSA-N -1 0 328.290 3.729 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N2CC[C@@H]2Cc2ccccc2)s1 ZINC000443872525 1024078268 /nfs/dbraw/zinc/07/82/68/1024078268.db2.gz AUHDUXIJZGGWJP-OAHLLOKOSA-N -1 0 344.484 3.542 20 0 EHADRM COc1cc(-c2cncc([C@@H]3OCC[C@H]3C(=O)[O-])c2)ccc1Cl ZINC000657203971 1024084109 /nfs/dbraw/zinc/08/41/09/1024084109.db2.gz WHJXWWSVVNZNSI-CJNGLKHVSA-N -1 0 333.771 3.573 20 0 EHADRM COCC[C@@H](Cc1cccc(-c2ccc3[nH]nc(C)c3c2)c1)C(=O)[O-] ZINC000657203414 1024085447 /nfs/dbraw/zinc/08/54/47/1024085447.db2.gz WCDXMCWLOXZKMW-KRWDZBQOSA-N -1 0 338.407 3.818 20 0 EHADRM COc1cc(C)c(-c2ccc(O[C@H]3CCOC3)c(C)c2)cc1C(=O)[O-] ZINC000657204740 1024087589 /nfs/dbraw/zinc/08/75/89/1024087589.db2.gz BTERTLNACFASCP-HNNXBMFYSA-N -1 0 342.391 3.845 20 0 EHADRM CCOC(=O)CC[C@@H](C)Sc1n[n-]c(=Nc2ccccc2)s1 ZINC000505426264 1024094561 /nfs/dbraw/zinc/09/45/61/1024094561.db2.gz HFTKBVMFLSXELS-LLVKDONJSA-N -1 0 337.470 3.528 20 0 EHADRM Cc1cc(OC(F)F)ccc1-c1cncc([C@@H]2OCC[C@H]2C(=O)[O-])c1 ZINC000657205807 1024094926 /nfs/dbraw/zinc/09/49/26/1024094926.db2.gz QTQFNZQRHPKQND-CVEARBPZSA-N -1 0 349.333 3.821 20 0 EHADRM CO[C@@H](C(=O)[O-])c1ccccc1-c1ccc(O[C@H]2CCOC2)c(C)c1 ZINC000657204407 1024104668 /nfs/dbraw/zinc/10/46/68/1024104668.db2.gz KOIOBKIOXKLCMR-HNAYVOBHSA-N -1 0 342.391 3.602 20 0 EHADRM CC(C)C[C@]1(CO)CCCN1C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000191499214 1024111515 /nfs/dbraw/zinc/11/15/15/1024111515.db2.gz JKPKIVPKWJMYNI-INIZCTEOSA-N -1 0 346.254 3.712 20 0 EHADRM O=C([O-])C1(CNC(=O)c2cc(Cl)cc3cccnc32)CCCCC1 ZINC000191508472 1024113083 /nfs/dbraw/zinc/11/30/83/1024113083.db2.gz XEWARPCXPUZDIH-UHFFFAOYSA-N -1 0 346.814 3.653 20 0 EHADRM CC(C)[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])c1ccc(F)cc1F ZINC000236814156 1024120227 /nfs/dbraw/zinc/12/02/27/1024120227.db2.gz SPPVXPKRRIJUAV-MRXNPFEDSA-N -1 0 327.371 3.669 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N[C@H](C)c2cc3ccccc3o2)s1 ZINC000443544509 1024124838 /nfs/dbraw/zinc/12/48/38/1024124838.db2.gz WHZJTNMCRFRGAA-SECBINFHSA-N -1 0 348.453 3.701 20 0 EHADRM CC(C)CN(Cc1ccccc1)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000522624017 1024125246 /nfs/dbraw/zinc/12/52/46/1024125246.db2.gz VIQKMIAESDKWBA-UHFFFAOYSA-N -1 0 346.500 3.948 20 0 EHADRM CC1(C)Cc2cc(-c3cncc([C@@H]4OCC[C@H]4C(=O)[O-])c3)ccc2O1 ZINC000657207716 1024131188 /nfs/dbraw/zinc/13/11/88/1024131188.db2.gz DMIDYPVGMHHDGF-AEFFLSMTSA-N -1 0 339.391 3.624 20 0 EHADRM COc1cccc(OC)c1CNc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000417605706 1024150693 /nfs/dbraw/zinc/15/06/93/1024150693.db2.gz BYJGPJMGIYYPRJ-CYBMUJFWSA-N -1 0 329.396 3.579 20 0 EHADRM Cc1cc(CN=c2[n-]nc(C(F)F)s2)sc1Br ZINC000353195103 1024186827 /nfs/dbraw/zinc/18/68/27/1024186827.db2.gz UUHVKRGERLQMAQ-UHFFFAOYSA-N -1 0 340.218 3.642 20 0 EHADRM CC(C)=CCSC[C@@H](NCc1cnc(C2CCC2)s1)C(=O)[O-] ZINC000417621019 1024194287 /nfs/dbraw/zinc/19/42/87/1024194287.db2.gz DTIWLMHXECCFED-CQSZACIVSA-N -1 0 340.514 3.653 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@@H](c1cccnc1)C(C)C ZINC000909513705 1024258862 /nfs/dbraw/zinc/25/88/62/1024258862.db2.gz SWMDVWPEXCUSEB-QGZVFWFLSA-N -1 0 326.396 3.775 20 0 EHADRM CC1(C)C[C@@H](C(=O)Nc2cc(C(=O)[O-])cs2)c2ccccc2O1 ZINC000909514635 1024269848 /nfs/dbraw/zinc/26/98/48/1024269848.db2.gz FBWAXGVFCVUVMW-GFCCVEGCSA-N -1 0 331.393 3.730 20 0 EHADRM C[C@@H](NC(=O)CC1(CC(=O)[O-])CCCCC1)c1c(F)cccc1F ZINC000324174489 1024275402 /nfs/dbraw/zinc/27/54/02/1024275402.db2.gz GFFIYZBHXDAYBE-GFCCVEGCSA-N -1 0 339.382 3.957 20 0 EHADRM CC[C@@H](C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC000192891039 1024288656 /nfs/dbraw/zinc/28/86/56/1024288656.db2.gz GXSVEQIDANGYLD-RBUKOAKNSA-N -1 0 339.435 3.773 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc2c(s1)CCCCC2 ZINC000324187584 1024291615 /nfs/dbraw/zinc/29/16/15/1024291615.db2.gz QVHCETXXGCWHCV-YUELXQCFSA-N -1 0 347.480 3.875 20 0 EHADRM C[C@@H](NC(=O)CC1(CC(=O)[O-])CCCCC1)c1ccc(F)cc1F ZINC000324199317 1024298033 /nfs/dbraw/zinc/29/80/33/1024298033.db2.gz LPCVGXHQMHXCRF-GFCCVEGCSA-N -1 0 339.382 3.957 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCc1cc2ccccc2o1 ZINC000330119491 1024324335 /nfs/dbraw/zinc/32/43/35/1024324335.db2.gz ZYNLBQWSZRTUEL-COXVUDFISA-N -1 0 341.407 3.610 20 0 EHADRM O=C(N=c1ncn(C2CCCCC2)[n-]1)c1ccc(F)c2ccccc12 ZINC000330164500 1024340050 /nfs/dbraw/zinc/34/00/50/1024340050.db2.gz TZFDEVGIARGKTB-UHFFFAOYSA-N -1 0 338.386 3.750 20 0 EHADRM CCC(CC)(COCc1ccccc1)C(=O)[N-]OCc1ccccn1 ZINC000909544431 1024353242 /nfs/dbraw/zinc/35/32/42/1024353242.db2.gz QOSFDFIJOAHHTN-UHFFFAOYSA-N -1 0 342.439 3.653 20 0 EHADRM CCC[C@H]1C[C@@H](C(=O)Nc2cc(Br)ccc2O)CCO1 ZINC000184134201 1024372270 /nfs/dbraw/zinc/37/22/70/1024372270.db2.gz PMKIKMPBBOAEDZ-JQWIXIFHSA-N -1 0 342.233 3.689 20 0 EHADRM c1ccc(-c2n[n-]c(=N[C@@H]3CCCN(c4ccccc4)C3)s2)cc1 ZINC000522408511 1024461434 /nfs/dbraw/zinc/46/14/34/1024461434.db2.gz DPIFHQDDPUSVOE-MRXNPFEDSA-N -1 0 336.464 3.708 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)c2cc(C)n([C@@H](C)C3CC3)n2)s1 ZINC000346210690 1024500901 /nfs/dbraw/zinc/50/09/01/1024500901.db2.gz UYUSRBIBEBEDAF-NSHDSACASA-N -1 0 347.488 3.592 20 0 EHADRM Cc1c(C(=O)[O-])cnn1-c1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C)c1 ZINC000425247644 1024504922 /nfs/dbraw/zinc/50/49/22/1024504922.db2.gz YMENWKBNMDOHKE-BLLLJJGKSA-N -1 0 341.411 3.644 20 0 EHADRM O=S(=O)([N-]c1n[nH]c2c1cccc2Cl)c1ccccc1Cl ZINC000434976667 1024536990 /nfs/dbraw/zinc/53/69/90/1024536990.db2.gz MQDPTCGJRYXMGV-UHFFFAOYSA-N -1 0 342.207 3.671 20 0 EHADRM COc1ccc(C[C@H](C)C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000237230887 1024563466 /nfs/dbraw/zinc/56/34/66/1024563466.db2.gz FSHJKDAYXPNKBY-GMMCIKNFSA-N -1 0 339.391 3.610 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)[C@@H]2CCOC3(CCCC3)C2)cc1)C(=O)[O-] ZINC000909522613 1024564821 /nfs/dbraw/zinc/56/48/21/1024564821.db2.gz ZJCSGFIBWBDJNA-GOEBONIOSA-N -1 0 345.439 3.628 20 0 EHADRM Cc1ccc2[nH]c([N-]S(=O)(=O)c3cc(C)ccc3Cl)nc2c1 ZINC000427636203 1024578527 /nfs/dbraw/zinc/57/85/27/1024578527.db2.gz JTXLFNRGSCPRPJ-UHFFFAOYSA-N -1 0 335.816 3.634 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)c2nn(-c3ccccc3F)cc2[O-])s1 ZINC000729525658 1024610604 /nfs/dbraw/zinc/61/06/04/1024610604.db2.gz JLZQURBONLJYLD-NSHDSACASA-N -1 0 345.399 3.578 20 0 EHADRM Cc1n[n-]c(=NCc2cc(C(F)(F)F)ccc2Cl)n1C1CC1 ZINC000340715359 1024635072 /nfs/dbraw/zinc/63/50/72/1024635072.db2.gz UJTANPDMHDDGOO-UHFFFAOYSA-N -1 0 330.741 3.628 20 0 EHADRM Cc1n[n-]c(=NCc2cc(Cl)cc(C(F)(F)F)c2)n1C1CC1 ZINC000340716715 1024637017 /nfs/dbraw/zinc/63/70/17/1024637017.db2.gz WLRMQIHWIAZQSY-UHFFFAOYSA-N -1 0 330.741 3.628 20 0 EHADRM O=C([O-])C1(CC(=O)N2CCC[C@@H]2Cc2ccccc2Cl)CCC1 ZINC000262566126 1033229615 /nfs/dbraw/zinc/22/96/15/1033229615.db2.gz XWLQVBNLZXZIMD-CQSZACIVSA-N -1 0 335.831 3.519 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)CC1(C(=O)[O-])CCC1 ZINC000262531532 1033230293 /nfs/dbraw/zinc/23/02/93/1033230293.db2.gz PRQXEZBYHZGAQP-QWHCGFSZSA-N -1 0 337.847 3.935 20 0 EHADRM Cc1nc2ccc(S(=O)(=O)[N-]c3cc(C(C)C)on3)cc2s1 ZINC000427791051 1024784207 /nfs/dbraw/zinc/78/42/07/1024784207.db2.gz VTPXMPPKNDQZRV-UHFFFAOYSA-N -1 0 337.426 3.517 20 0 EHADRM C[C@](CNC(=O)[C@@H]1CCCC[C@@H]1C1CC1)(C(=O)[O-])c1ccc(F)cc1 ZINC000514862985 1024795945 /nfs/dbraw/zinc/79/59/45/1024795945.db2.gz LPNUPVAXRISYSB-MBOZVWFJSA-N -1 0 347.430 3.501 20 0 EHADRM C[C@@H]1CCCC[C@H]1NC(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000684711124 1024861406 /nfs/dbraw/zinc/86/14/06/1024861406.db2.gz PVVJQJKNKQKLMD-SIXLDLHFSA-N -1 0 330.428 3.565 20 0 EHADRM O=S(=O)([N-]c1cc(C2CC2)[nH]n1)c1ccc(Cl)c2ccccc21 ZINC000474419640 1024924597 /nfs/dbraw/zinc/92/45/97/1024924597.db2.gz BRTIQEKZAOQBBK-UHFFFAOYSA-N -1 0 347.827 3.895 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)c1cccc2cccc(O)c21 ZINC000909465245 1024926080 /nfs/dbraw/zinc/92/60/80/1024926080.db2.gz DEYWXKPABQYOBR-UHFFFAOYSA-N -1 0 329.396 3.700 20 0 EHADRM COC1(CN=c2[n-]nc(C3CC3)o2)CCC(c2ccccc2)CC1 ZINC000514958778 1024931326 /nfs/dbraw/zinc/93/13/26/1024931326.db2.gz ZOXOUTZWUXQEJN-UHFFFAOYSA-N -1 0 327.428 3.524 20 0 EHADRM CC(C)Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000474426612 1024945573 /nfs/dbraw/zinc/94/55/73/1024945573.db2.gz MMLWZVWSGLQCSL-UHFFFAOYSA-N -1 0 348.255 3.716 20 0 EHADRM C[C@@H](NC(=O)CC(C)(C)C)C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000428029502 1024948368 /nfs/dbraw/zinc/94/83/68/1024948368.db2.gz ASSTZEBQQPKAFB-MRVPVSSYSA-N -1 0 347.242 3.578 20 0 EHADRM O=C(Cc1c[nH]c2cc(F)ccc12)Nc1cc(F)cc(Cl)c1[O-] ZINC000474434431 1024966015 /nfs/dbraw/zinc/96/60/15/1024966015.db2.gz LIUQTACMRNUBIG-UHFFFAOYSA-N -1 0 336.725 3.986 20 0 EHADRM Cc1cc(C)cc([C@@H](C)NC(=O)N(CC(=O)[O-])Cc2ccccc2)c1 ZINC000515031712 1024974296 /nfs/dbraw/zinc/97/42/96/1024974296.db2.gz GSKUATSXNZCGIF-MRXNPFEDSA-N -1 0 340.423 3.661 20 0 EHADRM CC(C)Oc1cccc([C@@H](C)NC(=O)N2CCCCC[C@H]2C(=O)[O-])c1 ZINC000684720699 1024977454 /nfs/dbraw/zinc/97/74/54/1024977454.db2.gz LJCZBBZGJJUIPT-PBHICJAKSA-N -1 0 348.443 3.574 20 0 EHADRM Clc1cccc([C@@H]2C[C@H]2N=c2[n-]nc(-c3ccccn3)s2)c1 ZINC000435578054 1025027850 /nfs/dbraw/zinc/02/78/50/1025027850.db2.gz WMGIGGYZOGWZKN-GXTWGEPZSA-N -1 0 328.828 3.643 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)N1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC000684724670 1025042386 /nfs/dbraw/zinc/04/23/86/1025042386.db2.gz CLLMXGQNKQPDDG-INMHGKMJSA-N -1 0 346.471 3.638 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)NCCc1ccsc1 ZINC000559405808 1025053031 /nfs/dbraw/zinc/05/30/31/1025053031.db2.gz QRBXKZVGEZWXKC-INIZCTEOSA-N -1 0 346.452 3.538 20 0 EHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000435727784 1025095231 /nfs/dbraw/zinc/09/52/31/1025095231.db2.gz FUSQHTRBOBZNAB-UHFFFAOYSA-N -1 0 349.452 3.839 20 0 EHADRM C[C@@H](NC(=O)N([C@@H](C)C(=O)[O-])C1CCC1)c1ccc(F)cc1Cl ZINC000684736380 1025118192 /nfs/dbraw/zinc/11/81/92/1025118192.db2.gz RTENHZJSEQBVAG-ZJUUUORDSA-N -1 0 342.798 3.577 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccccc1CCC(=O)[O-] ZINC000909550336 1025121584 /nfs/dbraw/zinc/12/15/84/1025121584.db2.gz CIYBJWNWPASOCU-YJBOKZPZSA-N -1 0 337.419 3.722 20 0 EHADRM Cc1ccc(S(=O)(=O)N[C@H](CC(F)(F)F)c2ccccc2C)o1 ZINC000443994836 1025158636 /nfs/dbraw/zinc/15/86/36/1025158636.db2.gz UCDLAFTWMUCNIH-CYBMUJFWSA-N -1 0 347.358 3.868 20 0 EHADRM O=C(CCc1ccsc1)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000521084000 1025193522 /nfs/dbraw/zinc/19/35/22/1025193522.db2.gz IWCUTDJZRHMOTF-UHFFFAOYSA-N -1 0 349.868 3.913 20 0 EHADRM CSCc1cccc(CNC(=O)c2cc(F)c([O-])c(Cl)c2)c1 ZINC000192619456 1025210207 /nfs/dbraw/zinc/21/02/07/1025210207.db2.gz FCWRKYJWSWNAMB-UHFFFAOYSA-N -1 0 339.819 3.978 20 0 EHADRM Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1C(C)C ZINC000515398250 1025212018 /nfs/dbraw/zinc/21/20/18/1025212018.db2.gz QVTOPZIGXVMLEJ-UHFFFAOYSA-N -1 0 335.473 3.776 20 0 EHADRM Cc1n[n-]c(=NCCCCSc2ccccc2Br)o1 ZINC000342409226 1025239988 /nfs/dbraw/zinc/23/99/88/1025239988.db2.gz PRLBZPZGYOILSQ-UHFFFAOYSA-N -1 0 342.262 3.547 20 0 EHADRM CCCN(C(=O)Nc1ccc2nc(C3CC3)oc2c1)[C@@H](CC)C(=O)[O-] ZINC000684749203 1025252870 /nfs/dbraw/zinc/25/28/70/1025252870.db2.gz LCGCNWCZRDHBCO-AWEZNQCLSA-N -1 0 345.399 3.812 20 0 EHADRM O=C([O-])[C@@H]1CCCN1C(=O)Nc1ccc(-c2cccc(F)c2)c(F)c1 ZINC000684749540 1025264684 /nfs/dbraw/zinc/26/46/84/1025264684.db2.gz PKTRBOBNWRECEX-INIZCTEOSA-N -1 0 346.333 3.713 20 0 EHADRM CC(C)OCc1cccc([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000063849465 1025315550 /nfs/dbraw/zinc/31/55/50/1025315550.db2.gz ZKYIVJNIXRRWKT-UHFFFAOYSA-N -1 0 341.379 3.691 20 0 EHADRM Cc1ccc2sc(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)cc2c1 ZINC000909481653 1025326233 /nfs/dbraw/zinc/32/62/33/1025326233.db2.gz HBOHXGKAGJMTOD-ZDUSSCGKSA-N -1 0 331.437 3.927 20 0 EHADRM C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC000614727535 1025363776 /nfs/dbraw/zinc/36/37/76/1025363776.db2.gz HSDZYJWFTQECGG-WFASDCNBSA-N -1 0 337.379 3.542 20 0 EHADRM O=C([O-])C1CCC(C(=O)N2CCCC[C@H]2Cc2ccc(F)cc2)CC1 ZINC000684771932 1025417520 /nfs/dbraw/zinc/41/75/20/1025417520.db2.gz QYVSPQCQTLMETO-HTWSVDAQSA-N -1 0 347.430 3.640 20 0 EHADRM Cc1n[nH]cc1-c1n[n-]c(=NCc2ccc(Cl)c(Cl)c2)s1 ZINC000436156200 1025421311 /nfs/dbraw/zinc/42/13/11/1025421311.db2.gz VKXINFFLDMUXHN-UHFFFAOYSA-N -1 0 340.239 3.577 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)C3(c4ccccc4F)CC3)[nH][nH]2)s1 ZINC000347041351 1025455743 /nfs/dbraw/zinc/45/57/43/1025455743.db2.gz SRMUXWAOJPGMCE-UHFFFAOYSA-N -1 0 341.411 3.678 20 0 EHADRM CCN(CC(=O)[O-])C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000574507623 1033284974 /nfs/dbraw/zinc/28/49/74/1033284974.db2.gz PHQHXBYMXUSTHR-UHFFFAOYSA-N -1 0 332.331 3.556 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCCCc2sccc21 ZINC000684781931 1025487046 /nfs/dbraw/zinc/48/70/46/1025487046.db2.gz PJQXMRBZTOTKEH-UHFFFAOYSA-N -1 0 327.327 3.854 20 0 EHADRM CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3sccc3C)cc2O1 ZINC000442843492 1025516881 /nfs/dbraw/zinc/51/68/81/1025516881.db2.gz KADQZZNYHFHCKK-HNNXBMFYSA-N -1 0 339.438 3.755 20 0 EHADRM O=C(c1ccccc1O)N(CCc1ccccc1)Cc1ccncc1 ZINC000102839226 1025548900 /nfs/dbraw/zinc/54/89/00/1025548900.db2.gz IMMDQNNETIOSGP-UHFFFAOYSA-N -1 0 332.403 3.672 20 0 EHADRM Cc1cncc(CSc2n[n-]c(=Nc3cccc(F)c3)s2)c1 ZINC000442902950 1025586577 /nfs/dbraw/zinc/58/65/77/1025586577.db2.gz UJBNOGFQJFEFMZ-UHFFFAOYSA-N -1 0 332.429 3.838 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000665302222 1025619278 /nfs/dbraw/zinc/61/92/78/1025619278.db2.gz OGHKHSQFOGTPJK-IUODEOHRSA-N -1 0 344.411 3.602 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)CC[C@@H](C)c2ccccc2)c1 ZINC000161194760 1025662792 /nfs/dbraw/zinc/66/27/92/1025662792.db2.gz FOMXWSKWWVXWIR-CQSZACIVSA-N -1 0 349.427 3.523 20 0 EHADRM CCCC[C@H](NC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)[O-] ZINC000347255029 1025738974 /nfs/dbraw/zinc/73/89/74/1025738974.db2.gz DJHIKRPJYDCMBK-ZDUSSCGKSA-N -1 0 345.420 3.681 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ncccc2C)c1Cl ZINC000521888970 1025763051 /nfs/dbraw/zinc/76/30/51/1025763051.db2.gz VVMLNVCSCJODED-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM CCCC[C@@H](NC(=O)C1(c2cccc(F)c2)CCCCC1)C(=O)[O-] ZINC000347264190 1025780498 /nfs/dbraw/zinc/78/04/98/1025780498.db2.gz RBKQWMPDCDLLFB-MRXNPFEDSA-N -1 0 335.419 3.787 20 0 EHADRM Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2c(O)cccc2F)cc1 ZINC000436511343 1025809061 /nfs/dbraw/zinc/80/90/61/1025809061.db2.gz IGZIBAHAVDSJBP-KXBFYZLASA-N -1 0 343.398 3.737 20 0 EHADRM O=C(Nc1ccc(Oc2cccnc2)nc1)c1ccc(Cl)cc1[O-] ZINC000436521833 1025821472 /nfs/dbraw/zinc/82/14/72/1025821472.db2.gz OZOIEWIIJPLIDF-UHFFFAOYSA-N -1 0 341.754 3.880 20 0 EHADRM Cc1ccccc1C[C@H]1CCCN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000436521115 1025824944 /nfs/dbraw/zinc/82/49/44/1025824944.db2.gz BWEFVIVWPGRNMF-OAHLLOKOSA-N -1 0 331.362 3.826 20 0 EHADRM O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(F)c([O-])c(F)c1 ZINC000436522968 1025825551 /nfs/dbraw/zinc/82/55/51/1025825551.db2.gz PDQANVUILDQRDZ-PSASIEDQSA-N -1 0 337.288 3.769 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c(C)n1 ZINC000342489215 1025837509 /nfs/dbraw/zinc/83/75/09/1025837509.db2.gz JSVQKMDOJNWQEE-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCC[C@H]2COCC[C@@H]21 ZINC000436577117 1025883375 /nfs/dbraw/zinc/88/33/75/1025883375.db2.gz RIDFEQKAWKKXQS-SJCJKPOMSA-N -1 0 345.826 3.840 20 0 EHADRM O=C(c1c([O-])cc(Cl)cc1Cl)N1CCC[C@@]2(CCCOC2)C1 ZINC000436578796 1025918353 /nfs/dbraw/zinc/91/83/53/1025918353.db2.gz XUUMZTRIMOUHIR-MRXNPFEDSA-N -1 0 344.238 3.732 20 0 EHADRM C[C@@H](NC(=O)c1cc(Cl)c2ccccc2c1[O-])C1CCOCC1 ZINC000436578144 1025919151 /nfs/dbraw/zinc/91/91/51/1025919151.db2.gz QDSZAGSJNBGYGO-LLVKDONJSA-N -1 0 333.815 3.744 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2ccccc2N2CCCCC2)c1 ZINC000436579916 1025919341 /nfs/dbraw/zinc/91/93/41/1025919341.db2.gz VTZKUTZSFDAXRC-UHFFFAOYSA-N -1 0 338.407 3.837 20 0 EHADRM O=C(NCc1nc(-c2ccccc2F)cs1)c1ccc(F)cc1[O-] ZINC000436606374 1025938013 /nfs/dbraw/zinc/93/80/13/1025938013.db2.gz QNDKGKVHWZHRQF-UHFFFAOYSA-N -1 0 346.358 3.724 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC000262413076 1025963763 /nfs/dbraw/zinc/96/37/63/1025963763.db2.gz PPVTUTJGISCZEA-CQSZACIVSA-N -1 0 341.407 3.845 20 0 EHADRM Cc1ccc(-c2nc(CNC(=O)c3ccc([O-])c(Cl)c3)co2)cc1 ZINC000436638253 1025969556 /nfs/dbraw/zinc/96/95/56/1025969556.db2.gz COOJRDLIFYPUOB-UHFFFAOYSA-N -1 0 342.782 3.939 20 0 EHADRM C[C@@]12CN(C(=O)c3cccc(C(F)(F)F)c3[O-])C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000516089020 1025969577 /nfs/dbraw/zinc/96/95/77/1025969577.db2.gz RWOIIPIDNXPIPT-VYTXNUKWSA-N -1 0 337.341 3.695 20 0 EHADRM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1ccc(O)cc1 ZINC000436655931 1025982773 /nfs/dbraw/zinc/98/27/73/1025982773.db2.gz KQDBBOHLTFVNMP-UHFFFAOYSA-N -1 0 343.688 3.886 20 0 EHADRM Cc1cc(Nc2cn3c(cccc3Br)n2)cc(C(=O)[O-])c1 ZINC001211543044 1025989712 /nfs/dbraw/zinc/98/97/12/1025989712.db2.gz VNGFCDRZJNTKRZ-UHFFFAOYSA-N -1 0 346.184 3.847 20 0 EHADRM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1sccc1Cl ZINC000451437673 1025989692 /nfs/dbraw/zinc/98/96/92/1025989692.db2.gz OSWVEPVEHFNNTP-MRVPVSSYSA-N -1 0 335.800 3.657 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cnnc(-c3ccccc3)c2)c1 ZINC000436645633 1025993025 /nfs/dbraw/zinc/99/30/25/1025993025.db2.gz DNVVYLXVMOFQJJ-UHFFFAOYSA-N -1 0 347.374 3.694 20 0 EHADRM CCSc1ccccc1C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000614689347 1025997852 /nfs/dbraw/zinc/99/78/52/1025997852.db2.gz ZQNVUIRBWKVQPT-UHFFFAOYSA-N -1 0 341.461 3.991 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)COC/C=C/c2ccccc2)c1 ZINC000436648835 1025999962 /nfs/dbraw/zinc/99/99/62/1025999962.db2.gz VBZIEEHVQUCABS-RMKNXTFCSA-N -1 0 339.391 3.653 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)Cc2c[nH]c3c2cccc3C)c1 ZINC000436659644 1026020707 /nfs/dbraw/zinc/02/07/07/1026020707.db2.gz SFYGNMYBJVAJMP-UHFFFAOYSA-N -1 0 336.391 3.956 20 0 EHADRM Cc1ccc([C@H]2CCCCCN2C(=O)NC[C@@H](C(=O)[O-])C2CCC2)o1 ZINC000665325788 1026033810 /nfs/dbraw/zinc/03/38/10/1026033810.db2.gz OFEKLHJRBXWRQZ-HZPDHXFCSA-N -1 0 348.443 3.716 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2ccc(C)cc2Br)c1 ZINC000436683620 1026037489 /nfs/dbraw/zinc/03/74/89/1026037489.db2.gz ZIMXTQIRAPTEDQ-UHFFFAOYSA-N -1 0 348.196 3.918 20 0 EHADRM O=C(Nc1cnc(CC2CC2)nc1)c1c([O-])cc(Cl)cc1Cl ZINC000436707048 1026067294 /nfs/dbraw/zinc/06/72/94/1026067294.db2.gz TUWRPTZBHKJZKL-UHFFFAOYSA-N -1 0 338.194 3.694 20 0 EHADRM O=S(=O)([N-]c1cccc2ccsc21)c1c[nH]c2ncccc12 ZINC000443457162 1026078474 /nfs/dbraw/zinc/07/84/74/1026078474.db2.gz XRWVCUOUGDWPNG-UHFFFAOYSA-N -1 0 329.406 3.578 20 0 EHADRM O=C(Nc1ccc(-n2ccnc2)c(F)c1)c1ccc(Cl)cc1[O-] ZINC000436724533 1026099641 /nfs/dbraw/zinc/09/96/41/1026099641.db2.gz ZRLZQEYNKULJOK-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM COCCN(C(=O)c1ccc(Cl)c(Cl)c1[O-])[C@H]1CCC[C@@H]1C ZINC000436745987 1026114414 /nfs/dbraw/zinc/11/44/14/1026114414.db2.gz WPGPIRMYNPXRNG-GWCFXTLKSA-N -1 0 346.254 3.976 20 0 EHADRM O=C(NCCOc1ccccc1)c1c([O-])cc(Cl)cc1Cl ZINC000436757978 1026127368 /nfs/dbraw/zinc/12/73/68/1026127368.db2.gz JZLFUPVHYAQGSR-UHFFFAOYSA-N -1 0 326.179 3.508 20 0 EHADRM CO[C@H](CNC(=O)c1c([O-])cc(Cl)cc1Cl)c1ccccc1 ZINC000436758683 1026127560 /nfs/dbraw/zinc/12/75/60/1026127560.db2.gz NEASRXGGIZTPAF-CQSZACIVSA-N -1 0 340.206 3.817 20 0 EHADRM CC(C)(C)c1cnc(CNC(=O)c2ccc(C(F)(F)F)cc2O)o1 ZINC000436751684 1026139882 /nfs/dbraw/zinc/13/98/82/1026139882.db2.gz MSVSWTBHCPSCIF-UHFFFAOYSA-N -1 0 342.317 3.627 20 0 EHADRM O=C(NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)c1ccc([O-])c(Cl)c1 ZINC000436775211 1026149750 /nfs/dbraw/zinc/14/97/50/1026149750.db2.gz DPAKSVDCXDJOLU-GUYCJALGSA-N -1 0 349.789 3.692 20 0 EHADRM CC[C@@H](CN=c1[n-]nc(C2CC2)o1)Oc1ccccc1C(F)(F)F ZINC000342539001 1026185669 /nfs/dbraw/zinc/18/56/69/1026185669.db2.gz AVHKFUIOCJRVJL-NSHDSACASA-N -1 0 341.333 3.657 20 0 EHADRM O=C(NCc1ccc(Cl)cc1)c1ccc(C(F)(F)F)c(O)c1 ZINC000684869656 1026238864 /nfs/dbraw/zinc/23/88/64/1026238864.db2.gz WYGGRXDKVCXZHA-UHFFFAOYSA-N -1 0 329.705 3.994 20 0 EHADRM O=C([O-])CN(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000347358071 1026240467 /nfs/dbraw/zinc/24/04/67/1026240467.db2.gz FKCFIMUFUGAGKW-HZPDHXFCSA-N -1 0 343.810 3.557 20 0 EHADRM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CC1(C(=O)[O-])CCC1 ZINC000262441691 1026314934 /nfs/dbraw/zinc/31/49/34/1026314934.db2.gz CUAKQLIRPYCKHH-SJORKVTESA-N -1 0 329.440 3.816 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)CC1CCC(C(=O)[O-])CC1)C1CC1 ZINC000582491102 1026415364 /nfs/dbraw/zinc/41/53/64/1026415364.db2.gz GKXRAUPASFAETQ-GSQSYGFSSA-N -1 0 329.440 3.843 20 0 EHADRM Cc1ccc2c(c1C)N(Cc1nc(=O)c3sccc3[n-]1)CCC2 ZINC000452071144 1026463520 /nfs/dbraw/zinc/46/35/20/1026463520.db2.gz QBVNUTACYSQSJD-UHFFFAOYSA-N -1 0 325.437 3.967 20 0 EHADRM C[C@@H](NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)c1ccc(Cl)cc1 ZINC000324914011 1026486497 /nfs/dbraw/zinc/48/64/97/1026486497.db2.gz XZYPRUGVZKUNGQ-YJYMSZOUSA-N -1 0 345.826 3.950 20 0 EHADRM O=C([O-])C1(CC(=O)NCC2(c3ccc(Cl)cc3)CCC2)CCC1 ZINC000262472732 1026497928 /nfs/dbraw/zinc/49/79/28/1026497928.db2.gz HAHJLGRKGDJYLS-UHFFFAOYSA-N -1 0 335.831 3.523 20 0 EHADRM Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2ccc(F)cc2)s1 ZINC000122518751 1026525301 /nfs/dbraw/zinc/52/53/01/1026525301.db2.gz FVLNKDUDULXDIU-UHFFFAOYSA-N -1 0 328.434 3.590 20 0 EHADRM COc1cccc(C)c1NC(=O)c1ccc(Br)cc1[O-] ZINC000192945568 1026651446 /nfs/dbraw/zinc/65/14/46/1026651446.db2.gz UBKUTRFPLYJPIR-UHFFFAOYSA-N -1 0 336.185 3.724 20 0 EHADRM CC[C@@](C)(NC(=O)c1ccc(SCc2ccccc2)cc1)C(=O)[O-] ZINC000262498816 1026653703 /nfs/dbraw/zinc/65/37/03/1026653703.db2.gz XZBQVBNSJVEWBJ-LJQANCHMSA-N -1 0 343.448 3.962 20 0 EHADRM CCSCc1ccc(NC(=O)c2cc(=O)[nH]c(C3CC3)n2)cc1 ZINC000563410652 1026724958 /nfs/dbraw/zinc/72/49/58/1026724958.db2.gz ZVBZUTUOCWFURF-UHFFFAOYSA-N -1 0 329.425 3.565 20 0 EHADRM Cc1nc(-c2ccc(NCCc3cccc(F)c3)nc2)[nH]c(=O)c1C ZINC000301355446 1026773678 /nfs/dbraw/zinc/77/36/78/1026773678.db2.gz LXRGEKFBTHYFFU-UHFFFAOYSA-N -1 0 338.386 3.655 20 0 EHADRM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2OC(C)(C)C)cc1 ZINC000115314076 1026797132 /nfs/dbraw/zinc/79/71/32/1026797132.db2.gz ZHSJIYBRNKZEMZ-UHFFFAOYSA-N -1 0 347.436 3.867 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)Nc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000582643246 1026847431 /nfs/dbraw/zinc/84/74/31/1026847431.db2.gz AGEVKZMNSMJDCT-LBPRGKRZSA-N -1 0 331.199 3.853 20 0 EHADRM CC[C@@H](NC(=O)N([C@H](C)C(=O)[O-])C1CCC1)c1ccc(Cl)cc1 ZINC000582642880 1026848466 /nfs/dbraw/zinc/84/84/66/1026848466.db2.gz HMSJJPCKTZMVAR-IAQYHMDHSA-N -1 0 338.835 3.828 20 0 EHADRM COCCc1nc(=N[C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)s[n-]1 ZINC000413513807 1026872932 /nfs/dbraw/zinc/87/29/32/1026872932.db2.gz IXVVMJUUAJDSLF-GXTWGEPZSA-N -1 0 337.876 3.551 20 0 EHADRM COCCOCc1cccc(-c2cccc(C3(C(=O)[O-])CC3)c2)c1 ZINC000563436979 1026945753 /nfs/dbraw/zinc/94/57/53/1026945753.db2.gz CAWJHDLSWYBZJE-UHFFFAOYSA-N -1 0 326.392 3.633 20 0 EHADRM CC[C@H](Cc1cccc(-c2ccc(C(=O)NC)c(C)c2)c1)C(=O)[O-] ZINC000563437198 1026953218 /nfs/dbraw/zinc/95/32/18/1026953218.db2.gz GMPGNOLMAQHZNK-OAHLLOKOSA-N -1 0 325.408 3.675 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)cc1C ZINC000342756989 1026958171 /nfs/dbraw/zinc/95/81/71/1026958171.db2.gz LWJQFIYJOVIJTO-SNVBAGLBSA-N -1 0 343.399 3.550 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccc(SC)cc2)cc1C ZINC000342777643 1027016521 /nfs/dbraw/zinc/01/65/21/1027016521.db2.gz JEUPZAYTWCQPAN-NSHDSACASA-N -1 0 339.486 3.685 20 0 EHADRM CC[C@@H]1[C@@H](C)CCN1C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000501186592 1027129263 /nfs/dbraw/zinc/12/92/63/1027129263.db2.gz NFFFRRIXMPIJRJ-WMLDXEAASA-N -1 0 341.455 3.962 20 0 EHADRM Cc1nc(C)c(S(=O)(=O)[N-]c2c(C)noc2-c2ccccc2)s1 ZINC000126563859 1027216881 /nfs/dbraw/zinc/21/68/81/1027216881.db2.gz ZEKOSPMCAGYFOM-UHFFFAOYSA-N -1 0 349.437 3.524 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000075816170 1027229324 /nfs/dbraw/zinc/22/93/24/1027229324.db2.gz UBXISNDMIDQIAX-GOSISDBHSA-N -1 0 345.826 3.631 20 0 EHADRM CCc1n[n-]c(=NCc2ccc(-c3cccc(C(F)(F)F)c3)o2)o1 ZINC000453051449 1027293701 /nfs/dbraw/zinc/29/37/01/1027293701.db2.gz KJHFWQPVEKNTEP-UHFFFAOYSA-N -1 0 337.301 3.945 20 0 EHADRM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2c(C)cccc2C)c1 ZINC000614739251 1027326648 /nfs/dbraw/zinc/32/66/48/1027326648.db2.gz KLNCSMPYZKIWCQ-UHFFFAOYSA-N -1 0 326.421 3.961 20 0 EHADRM CC(C)Cn1cc(C(=O)N2CCC[C@](C)(C(=O)[O-])C2)c2ccccc21 ZINC000414441613 1027353351 /nfs/dbraw/zinc/35/33/51/1027353351.db2.gz OFRLAKPUHGQXGI-FQEVSTJZSA-N -1 0 342.439 3.624 20 0 EHADRM O=S(=O)([N-]c1cccc2ccncc21)c1ccc(Cl)cc1F ZINC000531781734 1027368745 /nfs/dbraw/zinc/36/87/45/1027368745.db2.gz VOJAEFRKIDFGQR-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM C[C@H](CCC(C)(C)C)C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000273378592 1027403793 /nfs/dbraw/zinc/40/37/93/1027403793.db2.gz YMVVLLSNYHMBSS-LLVKDONJSA-N -1 0 335.473 3.818 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2ccccc2OCC2CC2)CCCC1 ZINC000077411254 1027436107 /nfs/dbraw/zinc/43/61/07/1027436107.db2.gz ZRYMAOSEAMCLJZ-UHFFFAOYSA-N -1 0 331.412 3.839 20 0 EHADRM Cc1ccc(F)c(CN(C)C(=O)c2cc(F)c(F)c([O-])c2F)c1 ZINC000444424376 1027510191 /nfs/dbraw/zinc/51/01/91/1027510191.db2.gz MVIILYUFHCGVSK-UHFFFAOYSA-N -1 0 327.277 3.529 20 0 EHADRM Cc1nc(-c2ccc(N3CCC[C@@H](C(C)C)CC3)nc2)[nH]c(=O)c1C ZINC000078261591 1027574190 /nfs/dbraw/zinc/57/41/90/1027574190.db2.gz RXHJDOAXFLYEOS-MRXNPFEDSA-N -1 0 340.471 3.711 20 0 EHADRM O=C(Nc1cccc(Cn2cccn2)c1)c1cc(Cl)ccc1[O-] ZINC000029923052 1027627427 /nfs/dbraw/zinc/62/74/27/1027627427.db2.gz MGPICZPAEAVZKO-UHFFFAOYSA-N -1 0 327.771 3.543 20 0 EHADRM c1ccc(-c2nnc(CN=c3nc(C4CCCC4)[n-]s3)s2)cc1 ZINC000420603775 1027638565 /nfs/dbraw/zinc/63/85/65/1027638565.db2.gz QPGLVHISZIMDJO-UHFFFAOYSA-N -1 0 343.481 3.748 20 0 EHADRM c1ccc([C@@H](N=c2nc(C3CCCC3)[n-]s2)[C@@H]2CCOC2)cc1 ZINC000420609716 1027643450 /nfs/dbraw/zinc/64/34/50/1027643450.db2.gz KUWLFKXCNRHIKU-HZPDHXFCSA-N -1 0 329.469 3.807 20 0 EHADRM CC(C)c1nnc(CCN=c2nc(C3CCCCC3)[n-]s2)s1 ZINC000420642298 1027664699 /nfs/dbraw/zinc/66/46/99/1027664699.db2.gz UIHBTHQTOYRBLG-UHFFFAOYSA-N -1 0 337.518 3.637 20 0 EHADRM O=C(Nc1ccc(Oc2cccnn2)cc1)c1cc(F)cc(F)c1[O-] ZINC001167944332 1027669766 /nfs/dbraw/zinc/66/97/66/1027669766.db2.gz BBRLZKJQICYKIC-UHFFFAOYSA-N -1 0 343.289 3.505 20 0 EHADRM CCc1csc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000414467892 1027702856 /nfs/dbraw/zinc/70/28/56/1027702856.db2.gz FNBIULDTCXBZTF-UHFFFAOYSA-N -1 0 336.360 3.525 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1Cc1ccc(Br)cc1Cl ZINC000168220984 1027847388 /nfs/dbraw/zinc/84/73/88/1027847388.db2.gz QZEUIJNYARPMKI-LBPRGKRZSA-N -1 0 346.652 3.932 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)C2(c3cccc(Cl)c3)CCC2)s1 ZINC000643429456 1027986316 /nfs/dbraw/zinc/98/63/16/1027986316.db2.gz BSPBGDUKMGNULC-UHFFFAOYSA-N -1 0 349.839 3.838 20 0 EHADRM CC(C)Oc1ccc(NC(=O)CC2(C(=O)[O-])CCC2)cc1Cl ZINC000262555840 1027990432 /nfs/dbraw/zinc/99/04/32/1027990432.db2.gz UEKCAXCXTRQCKO-UHFFFAOYSA-N -1 0 325.792 3.711 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)cn1 ZINC000533497693 1028004773 /nfs/dbraw/zinc/00/47/73/1028004773.db2.gz ZFVMBCBMVJFCBL-UHFFFAOYSA-N -1 0 342.511 3.963 20 0 EHADRM CCC[C@]1(CO)CCCN1C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000444550687 1028023419 /nfs/dbraw/zinc/02/34/19/1028023419.db2.gz QYGIBZAFJAWPOM-LJQANCHMSA-N -1 0 347.842 3.966 20 0 EHADRM CCCOc1ccccc1NC(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000502272988 1028043721 /nfs/dbraw/zinc/04/37/21/1028043721.db2.gz RNWCBWWDGBOQLC-UHFFFAOYSA-N -1 0 344.396 3.653 20 0 EHADRM CCCN(C(=O)Nc1ccc(Br)cc1)[C@H](CC)C(=O)[O-] ZINC000582882519 1028139010 /nfs/dbraw/zinc/13/90/10/1028139010.db2.gz MHPPIDJVCJIRNU-GFCCVEGCSA-N -1 0 343.221 3.556 20 0 EHADRM CSc1nc(C(=O)Nc2ccc(Cl)cc2O)c2ccccn12 ZINC000533618476 1028162436 /nfs/dbraw/zinc/16/24/36/1028162436.db2.gz NAMHMEXXGWJDOP-UHFFFAOYSA-N -1 0 333.800 3.668 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)nn1C(C)C ZINC000421188822 1028166550 /nfs/dbraw/zinc/16/65/50/1028166550.db2.gz YRZMLSYSLMSRQW-UHFFFAOYSA-N -1 0 349.790 3.505 20 0 EHADRM COC(=O)c1ccc(Cl)nc1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211958379 1028169165 /nfs/dbraw/zinc/16/91/65/1028169165.db2.gz NVRQWIYLGDZNLW-UHFFFAOYSA-N -1 0 341.150 3.617 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(OCC(C)C)c2)c1 ZINC000614843602 1028169773 /nfs/dbraw/zinc/16/97/73/1028169773.db2.gz BMGHJOSQAOCLDP-UHFFFAOYSA-N -1 0 337.416 3.970 20 0 EHADRM Nc1cc(Br)cnc1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211958426 1028169902 /nfs/dbraw/zinc/16/99/02/1028169902.db2.gz QFCYCCKKVGHBNS-UHFFFAOYSA-N -1 0 342.580 3.522 20 0 EHADRM Nc1cc(Br)ncc1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211961026 1028196047 /nfs/dbraw/zinc/19/60/47/1028196047.db2.gz SJEKHDHECZLMBT-UHFFFAOYSA-N -1 0 342.580 3.522 20 0 EHADRM O=S(=O)([N-]c1cccc(COCc2ccco2)c1)c1cccs1 ZINC000055633124 1028282238 /nfs/dbraw/zinc/28/22/38/1028282238.db2.gz CDCKGYOAXUQGJC-UHFFFAOYSA-N -1 0 349.433 3.859 20 0 EHADRM COC(=O)CCc1ccc(Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC001211966584 1028287642 /nfs/dbraw/zinc/28/76/42/1028287642.db2.gz GBBPIQAFZYXFDG-UHFFFAOYSA-N -1 0 333.771 3.887 20 0 EHADRM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3ccc(C)s3)c2)o1 ZINC000066814699 1028341571 /nfs/dbraw/zinc/34/15/71/1028341571.db2.gz GSNRYVMPUGLRTB-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM CC[C@H](c1ccc(F)cc1F)S(=O)(=O)c1nc2ccccc2[n-]1 ZINC000523467947 1028350068 /nfs/dbraw/zinc/35/00/68/1028350068.db2.gz RDBNXFWIOMDWFU-OAHLLOKOSA-N -1 0 336.363 3.766 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)c1 ZINC000057119343 1028352355 /nfs/dbraw/zinc/35/23/55/1028352355.db2.gz QKGGDNHDPBKWHV-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM C[C@H]1CC[C@@H](NC(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)C1 ZINC000444916864 1028410723 /nfs/dbraw/zinc/41/07/23/1028410723.db2.gz CNAAMTFEAKDLIA-VHSXEESVSA-N -1 0 336.848 3.591 20 0 EHADRM CC1(C)C(=O)NCc2ccc(Nc3cc(Cl)cc(C(=O)[O-])c3)cc21 ZINC001211969565 1028438195 /nfs/dbraw/zinc/43/81/95/1028438195.db2.gz PPXNATFFPWARRR-UHFFFAOYSA-N -1 0 344.798 3.689 20 0 EHADRM COC(Cc1ccc(Nc2cc(Cl)cc(C(=O)[O-])c2)cc1)OC ZINC001211969588 1028438211 /nfs/dbraw/zinc/43/82/11/1028438211.db2.gz QPPHUUKSVUWKHV-UHFFFAOYSA-N -1 0 335.787 3.943 20 0 EHADRM Cc1cnc(Br)c(Nc2cc(CC(=O)[O-])ccc2F)c1 ZINC001216676992 1028456556 /nfs/dbraw/zinc/45/65/56/1028456556.db2.gz DQLFSQLAUBIVJU-UHFFFAOYSA-N -1 0 339.164 3.662 20 0 EHADRM C[C@@H](C(=O)N=c1nc(-c2ccccc2Cl)[n-]s1)C(C)(F)F ZINC000583015187 1028538971 /nfs/dbraw/zinc/53/89/71/1028538971.db2.gz RVTGLDPQBDKWSL-ZETCQYMHSA-N -1 0 331.775 3.510 20 0 EHADRM Cc1csc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)n1 ZINC000194541844 1028541701 /nfs/dbraw/zinc/54/17/01/1028541701.db2.gz LYMOUVOMRILIFJ-UHFFFAOYSA-N -1 0 337.253 3.700 20 0 EHADRM Cc1cc(C(=O)N[C@H](CC(C)C)C(=O)[O-])c(C)n1C1CCCCC1 ZINC000236599263 1028551139 /nfs/dbraw/zinc/55/11/39/1028551139.db2.gz CRFBTJMSYOJDQI-QGZVFWFLSA-N -1 0 334.460 3.839 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC000236605044 1028558819 /nfs/dbraw/zinc/55/88/19/1028558819.db2.gz XKPFELOQSRQSNT-CYBMUJFWSA-N -1 0 335.787 3.829 20 0 EHADRM CCC[C@](C)(NC(=O)CCc1ccc(-c2ccccc2)o1)C(=O)[O-] ZINC000236803472 1028588829 /nfs/dbraw/zinc/58/88/29/1028588829.db2.gz AYZHNPMWXSXWBI-IBGZPJMESA-N -1 0 329.396 3.639 20 0 EHADRM CCCCO[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000236843897 1028591287 /nfs/dbraw/zinc/59/12/87/1028591287.db2.gz QLQOWKVRRWBCDI-YOEHRIQHSA-N -1 0 349.471 3.821 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)CCCc1csc2ccccc12 ZINC000236888252 1028592077 /nfs/dbraw/zinc/59/20/77/1028592077.db2.gz ZTQSXKBCBFEZKE-ZDUSSCGKSA-N -1 0 333.453 3.936 20 0 EHADRM CC(C)Oc1cc(-c2noc(-c3ccc([O-])c(Cl)c3)n2)ccn1 ZINC000445210405 1028621350 /nfs/dbraw/zinc/62/13/50/1028621350.db2.gz ONJXMCZDXLHMJW-UHFFFAOYSA-N -1 0 331.759 3.945 20 0 EHADRM CCn1ncc2ccc([N-]S(=O)(=O)c3cc(C)sc3C)cc21 ZINC000195328379 1028628020 /nfs/dbraw/zinc/62/80/20/1028628020.db2.gz WQEMLVKSVCAZKA-UHFFFAOYSA-N -1 0 335.454 3.535 20 0 EHADRM [O-]c1ccc(-c2nc(-c3ccc(N4CCCC4)cn3)no2)cc1Cl ZINC000445223678 1028635404 /nfs/dbraw/zinc/63/54/04/1028635404.db2.gz VQFYXLALPKACCU-UHFFFAOYSA-N -1 0 342.786 3.758 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)CC(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000075240454 1028644486 /nfs/dbraw/zinc/64/44/86/1028644486.db2.gz HBTFMMIWCHITRG-FOIQADDNSA-N -1 0 339.435 3.824 20 0 EHADRM C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000237364463 1028648146 /nfs/dbraw/zinc/64/81/46/1028648146.db2.gz SEXVENMGZDOMNV-CYBMUJFWSA-N -1 0 329.421 3.823 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@H](C)Sc1ccccc1 ZINC000237546286 1028653374 /nfs/dbraw/zinc/65/33/74/1028653374.db2.gz PLBUSGWXSYVJGI-YOEHRIQHSA-N -1 0 343.448 3.808 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1ccc(Cl)cc1F ZINC000237606502 1028656123 /nfs/dbraw/zinc/65/61/23/1028656123.db2.gz SSPHGASZCORMLF-OAHLLOKOSA-N -1 0 335.762 3.733 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)CCc1ccccc1Cl ZINC000237584453 1028656271 /nfs/dbraw/zinc/65/62/71/1028656271.db2.gz MUUNQCHEOGLHMH-QGZVFWFLSA-N -1 0 345.826 3.913 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)Cc1ccccc1Cl ZINC000237592522 1028656794 /nfs/dbraw/zinc/65/67/94/1028656794.db2.gz YTFSELBPIDWTNL-MRXNPFEDSA-N -1 0 331.799 3.523 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1cccc(OC(F)F)c1 ZINC000237664062 1028660055 /nfs/dbraw/zinc/66/00/55/1028660055.db2.gz ZTGPLURULNZLCQ-HNNXBMFYSA-N -1 0 349.333 3.542 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)c3cccc4c[nH]nc43)ccc2s1 ZINC000238005467 1028673175 /nfs/dbraw/zinc/67/31/75/1028673175.db2.gz FDTPBUXRILMVTJ-UHFFFAOYSA-N -1 0 337.360 3.728 20 0 EHADRM CCC[C@H](NCc1cc(=O)[nH]c(C2CC2)n1)c1ccc(F)cc1F ZINC000459382699 1028673812 /nfs/dbraw/zinc/67/38/12/1028673812.db2.gz GGPAQLSDSTYUBL-INIZCTEOSA-N -1 0 333.382 3.969 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)o1 ZINC000238038521 1028675494 /nfs/dbraw/zinc/67/54/94/1028675494.db2.gz DRKIBLSWYUGLIV-JTQLQIEISA-N -1 0 340.162 3.702 20 0 EHADRM O=C([O-])c1ccc2[nH]c3c(c2c1)CN(C(=O)CC1CCCCC1)CC3 ZINC000238047672 1028675642 /nfs/dbraw/zinc/67/56/42/1028675642.db2.gz OKVXFHSUZXJUOX-UHFFFAOYSA-N -1 0 340.423 3.721 20 0 EHADRM O=C([O-])CN(Cc1csc(-c2cccs2)n1)c1ccccc1 ZINC000347343766 1028678695 /nfs/dbraw/zinc/67/86/95/1028678695.db2.gz GKHUQTRTMPUABK-UHFFFAOYSA-N -1 0 330.434 3.963 20 0 EHADRM CO[C@H](C)c1nsc(=NCCCOc2ccc(Cl)cc2C)[n-]1 ZINC000509669188 1028731312 /nfs/dbraw/zinc/73/13/12/1028731312.db2.gz YXWVWHKHXREDSB-LLVKDONJSA-N -1 0 341.864 3.510 20 0 EHADRM CC[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1onc(C2CC2)c1Cl ZINC001212017462 1028744422 /nfs/dbraw/zinc/74/44/22/1028744422.db2.gz DFOYANCTDWQRRV-JQWIXIFHSA-N -1 0 346.880 3.700 20 0 EHADRM Cc1cc(CN=c2[n-]nc([C@H]3Cc4ccccc4O3)o2)ccc1Cl ZINC000502852490 1028753203 /nfs/dbraw/zinc/75/32/03/1028753203.db2.gz GVZWVHFTQMBMRY-MRXNPFEDSA-N -1 0 341.798 3.742 20 0 EHADRM Cn1ccc2c1cccc2[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000524017672 1028769403 /nfs/dbraw/zinc/76/94/03/1028769403.db2.gz NSJNOYFEHFMNPU-UHFFFAOYSA-N -1 0 338.791 3.772 20 0 EHADRM Cn1ccc2c1cccc2[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000524017681 1028769906 /nfs/dbraw/zinc/76/99/06/1028769906.db2.gz OFICAJHBSNLFTA-UHFFFAOYSA-N -1 0 338.791 3.772 20 0 EHADRM [O-]c1ccc(-c2nc(-c3cnn(-c4ccccc4)c3)no2)cc1Cl ZINC000445433940 1028786625 /nfs/dbraw/zinc/78/66/25/1028786625.db2.gz LEAZKEYULLTLLU-UHFFFAOYSA-N -1 0 338.754 3.948 20 0 EHADRM CC[C@](C)(CC(=O)[O-])C(=O)Nc1cc(-c2cccnc2)ccc1C ZINC000634833792 1028789839 /nfs/dbraw/zinc/78/98/39/1028789839.db2.gz MAXMCOWBIJBGFA-LJQANCHMSA-N -1 0 326.396 3.887 20 0 EHADRM C[C@@H]1CCC[C@H]1NC(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000504725239 1028865678 /nfs/dbraw/zinc/86/56/78/1028865678.db2.gz KKRJTOAYMQAODJ-BXKDBHETSA-N -1 0 336.848 3.591 20 0 EHADRM C[C@H]1CCC[C@H]1NC(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000504725244 1028867119 /nfs/dbraw/zinc/86/71/19/1028867119.db2.gz KKRJTOAYMQAODJ-JOYOIKCWSA-N -1 0 336.848 3.591 20 0 EHADRM O=S(=O)([N-]c1cccnc1-c1ccccc1)c1c(F)cccc1F ZINC000532846205 1028926392 /nfs/dbraw/zinc/92/63/92/1028926392.db2.gz VHRKHOYMYGOQRH-UHFFFAOYSA-N -1 0 346.358 3.828 20 0 EHADRM C[C@@H]1CCCC[C@@H]1N(C)C(=O)N=c1[n-]nc(-c2ccsc2)s1 ZINC000503003092 1028960925 /nfs/dbraw/zinc/96/09/25/1028960925.db2.gz FBQKNHKFBOBJOO-PWSUYJOCSA-N -1 0 336.486 3.731 20 0 EHADRM C[C@@H]1CCCC[C@H]1N(C)C(=O)N=c1[n-]nc(-c2ccsc2)s1 ZINC000503003093 1028961967 /nfs/dbraw/zinc/96/19/67/1028961967.db2.gz FBQKNHKFBOBJOO-ZYHUDNBSSA-N -1 0 336.486 3.731 20 0 EHADRM CCCCOc1ccccc1[N-]S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000614888873 1029053033 /nfs/dbraw/zinc/05/30/33/1029053033.db2.gz QJVLKHOTPWPTDF-UHFFFAOYSA-N -1 0 347.436 3.869 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)NC[C@@H](CC(C)C)C(=O)[O-])s1 ZINC000424429245 1029072687 /nfs/dbraw/zinc/07/26/87/1029072687.db2.gz ZINYTPRBVPXGOL-KGLIPLIRSA-N -1 0 338.473 3.650 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CC[N@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000319758311 1029120349 /nfs/dbraw/zinc/12/03/49/1029120349.db2.gz PYLFCTAKSQDIGN-INIZCTEOSA-N -1 0 336.482 3.804 20 0 EHADRM C[C@]1(NC(=O)c2csc(-c3ccccc3)n2)CCCC[C@H]1C(=O)[O-] ZINC000432134122 1029197910 /nfs/dbraw/zinc/19/79/10/1029197910.db2.gz SBQIVXRWLYMHIV-UGSOOPFHSA-N -1 0 344.436 3.573 20 0 EHADRM CCN(C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C)C(C)C ZINC000285113586 1029237918 /nfs/dbraw/zinc/23/79/18/1029237918.db2.gz MVPICICVBSKAMA-UHFFFAOYSA-N -1 0 343.221 3.718 20 0 EHADRM C[C@@H](CNC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)CC(=O)[O-] ZINC000271944764 1029239685 /nfs/dbraw/zinc/23/96/85/1029239685.db2.gz HQELOMXQNFPGPF-JBBGTMGVSA-N -1 0 349.736 3.513 20 0 EHADRM CC[C@H](c1n[n-]c(=NC(=O)N2CC[C@H]2C(C)C)s1)c1ccccc1 ZINC000454733414 1029247990 /nfs/dbraw/zinc/24/79/90/1029247990.db2.gz JMHVBTZMKOKDOU-GJZGRUSLSA-N -1 0 344.484 3.764 20 0 EHADRM Cc1ccc(NC(=O)NC(C)(C)CCC(=O)[O-])cc1C(F)(F)F ZINC000261627430 1029289138 /nfs/dbraw/zinc/28/91/38/1029289138.db2.gz BQMICFQBJIMSPA-UHFFFAOYSA-N -1 0 332.322 3.779 20 0 EHADRM COC(=O)c1cccc2[nH]c(NC(=O)c3cc(C)ccc3C3CC3)nc21 ZINC000424728329 1029300561 /nfs/dbraw/zinc/30/05/61/1029300561.db2.gz BIADKFBQIDAFLR-UHFFFAOYSA-N -1 0 349.390 3.788 20 0 EHADRM Cn1ncc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])c1C1CC1 ZINC000272078421 1029301201 /nfs/dbraw/zinc/30/12/01/1029301201.db2.gz IYULFENXFMKLHT-UHFFFAOYSA-N -1 0 326.183 3.562 20 0 EHADRM CC(C)c1nc(/C=C\c2cn3cc(Cl)ccc3n2)ncc1C(=O)[O-] ZINC000254929166 1029345055 /nfs/dbraw/zinc/34/50/55/1029345055.db2.gz HZDQVRIPHCGECI-PLNGDYQASA-N -1 0 342.786 3.770 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000533196658 1029439440 /nfs/dbraw/zinc/43/94/40/1029439440.db2.gz CZSBKFJOQGCTLY-NSHDSACASA-N -1 0 341.860 3.779 20 0 EHADRM CCc1oc(C(=O)N(CC)[C@@H](C)c2cccc(OC)c2)cc1C(=O)[O-] ZINC000261599078 1029457979 /nfs/dbraw/zinc/45/79/79/1029457979.db2.gz AQYDOKWNZGAXPS-LBPRGKRZSA-N -1 0 345.395 3.772 20 0 EHADRM C[C@@H]1CCC[C@H](C)CN1C(=O)c1cccc(Br)c1[O-] ZINC000524739691 1029477057 /nfs/dbraw/zinc/47/70/57/1029477057.db2.gz FODHCOZKLXERIW-WDEREUQCSA-N -1 0 326.234 3.805 20 0 EHADRM CCc1oc(C(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)cc1C(=O)[O-] ZINC000261684512 1029482676 /nfs/dbraw/zinc/48/26/76/1029482676.db2.gz QWIWUIXTAPWRHG-JSGCOSHPSA-N -1 0 327.380 3.558 20 0 EHADRM CCc1oc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1C(=O)[O-] ZINC000261692061 1029483155 /nfs/dbraw/zinc/48/31/55/1029483155.db2.gz RVYFGXWHEOKNHF-ZDUSSCGKSA-N -1 0 343.379 3.572 20 0 EHADRM CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(C)[C@@H](C)CC(=O)[O-] ZINC000583275015 1029514970 /nfs/dbraw/zinc/51/49/70/1029514970.db2.gz YBTHAYPISVWXNU-AAEUAGOBSA-N -1 0 345.361 3.596 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)Nc3cc(C)ccc3Cl)cc2=O)cc1 ZINC000162234564 1029515953 /nfs/dbraw/zinc/51/59/53/1029515953.db2.gz UDAIOHXMXRYYBR-UHFFFAOYSA-N -1 0 341.798 3.688 20 0 EHADRM O=C(NC1CCC(C(F)(F)F)CC1)c1cc(F)c(F)c([O-])c1F ZINC000272634095 1029543208 /nfs/dbraw/zinc/54/32/08/1029543208.db2.gz VWAJCTXJNINEKW-UHFFFAOYSA-N -1 0 341.251 3.660 20 0 EHADRM CC[C@@H](C(=O)Nc1cc(C(C)=O)ccc1[O-])c1ccc(OC)cc1 ZINC000272664647 1029556349 /nfs/dbraw/zinc/55/63/49/1029556349.db2.gz IRHIEXIACARIJG-MRXNPFEDSA-N -1 0 327.380 3.736 20 0 EHADRM CCOCCC1(CNC(=O)CC2(CC(=O)[O-])CCCCC2)CCC1 ZINC000634909058 1029590278 /nfs/dbraw/zinc/59/02/78/1029590278.db2.gz WHLRXVITSHKDQT-UHFFFAOYSA-N -1 0 339.476 3.515 20 0 EHADRM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC000262429085 1029590324 /nfs/dbraw/zinc/59/03/24/1029590324.db2.gz RKFVUNZLGPBGHC-DOMZBBRYSA-N -1 0 327.355 3.542 20 0 EHADRM C[C@]1(NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)CCCC[C@H]1C(=O)[O-] ZINC000262831257 1029641804 /nfs/dbraw/zinc/64/18/04/1029641804.db2.gz QIAXAWJVILFAKK-ZXTQRBJTSA-N -1 0 335.831 3.593 20 0 EHADRM CCOc1ccccc1-c1cccc(C(=O)N[C@@H](C)CCC(=O)[O-])c1 ZINC000262944223 1029652186 /nfs/dbraw/zinc/65/21/86/1029652186.db2.gz LVFNMNJILJWEFM-AWEZNQCLSA-N -1 0 341.407 3.735 20 0 EHADRM CC(C)(CCNC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000262925443 1029652218 /nfs/dbraw/zinc/65/22/18/1029652218.db2.gz GPMAXXVGWDPQIL-STQMWFEESA-N -1 0 344.238 3.714 20 0 EHADRM CC(C)[C@H](CC(=O)N1CC[C@@](C(=O)[O-])(C(C)C)C1)c1ccccc1 ZINC000262935287 1029652237 /nfs/dbraw/zinc/65/22/37/1029652237.db2.gz KHXSVERUSRAQHM-PXNSSMCTSA-N -1 0 331.456 3.776 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000262956363 1029652788 /nfs/dbraw/zinc/65/27/88/1029652788.db2.gz NKNQNZXKCZSGAX-CJNGLKHVSA-N -1 0 337.847 3.765 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)C(C)(C)c2ccc(Cl)cc2)C1 ZINC000262988912 1029654120 /nfs/dbraw/zinc/65/41/20/1029654120.db2.gz VBILQIIUFCYAIB-SFHVURJKSA-N -1 0 337.847 3.577 20 0 EHADRM Cc1ccc(-c2ccc(Cl)cc2NC(=O)N(C)CCC(=O)[O-])o1 ZINC000262976480 1029654445 /nfs/dbraw/zinc/65/44/45/1029654445.db2.gz BHNPCKGVPPBJBV-UHFFFAOYSA-N -1 0 336.775 3.847 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000263029854 1029657652 /nfs/dbraw/zinc/65/76/52/1029657652.db2.gz QVELHRCZOPXJKP-WFXMLNOXSA-N -1 0 339.435 3.949 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000263034887 1029659032 /nfs/dbraw/zinc/65/90/32/1029659032.db2.gz ZDMHITFPQKFTEI-JKSUJKDBSA-N -1 0 337.375 3.878 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc3c(ccc4ccccc34)[nH]2)[C@H](C(=O)[O-])C1 ZINC000263044157 1029660446 /nfs/dbraw/zinc/66/04/46/1029660446.db2.gz PJJQXAWSJMYONA-SGTLLEGYSA-N -1 0 336.391 3.646 20 0 EHADRM CCCC[C@H](CC)CC(=O)N1CCC(n2ncc(C(=O)[O-])c2C)CC1 ZINC000263145271 1029668990 /nfs/dbraw/zinc/66/89/90/1029668990.db2.gz IMSWMSKBZAOLBU-HNNXBMFYSA-N -1 0 349.475 3.660 20 0 EHADRM Cc1cc2ccccc2c(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)c1 ZINC000263155152 1029669794 /nfs/dbraw/zinc/66/97/94/1029669794.db2.gz PYLSYSLQPKRWQF-DZGCQCFKSA-N -1 0 326.396 3.723 20 0 EHADRM CCC[C@H](CNC(=O)CCc1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000263239323 1029678175 /nfs/dbraw/zinc/67/81/75/1029678175.db2.gz TWGNMJXXYHCZLP-MRXNPFEDSA-N -1 0 347.455 3.558 20 0 EHADRM CCC[C@@H](CNC(=O)C[C@H](C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000263251928 1029680162 /nfs/dbraw/zinc/68/01/62/1029680162.db2.gz VHLKZPJTXZPJGM-OCCSQVGLSA-N -1 0 325.836 3.526 20 0 EHADRM CC(C)(C(=O)NCc1ccc(C(=O)[O-])s1)c1cccc(Cl)c1 ZINC000263284276 1029683597 /nfs/dbraw/zinc/68/35/97/1029683597.db2.gz XTMYGJKTASGNIR-UHFFFAOYSA-N -1 0 337.828 3.694 20 0 EHADRM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000263292311 1029684725 /nfs/dbraw/zinc/68/47/25/1029684725.db2.gz MJWFPLPYFCQMPS-QWRGUYRKSA-N -1 0 330.384 3.612 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000263299267 1029684823 /nfs/dbraw/zinc/68/48/23/1029684823.db2.gz ZYEKJJQGDWQTIL-ZDUSSCGKSA-N -1 0 329.371 3.894 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)N[C@@H](CC2CCC2)c2ccccc2)C1 ZINC000263319972 1029687237 /nfs/dbraw/zinc/68/72/37/1029687237.db2.gz JIQDQADGLLVFMQ-OLMNPRSZSA-N -1 0 344.455 3.670 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)CC2CC(c3ccccc3)C2)c1 ZINC000263337642 1029688790 /nfs/dbraw/zinc/68/87/90/1029688790.db2.gz NZUCTPKRVLMXOO-UHFFFAOYSA-N -1 0 337.419 3.627 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N(CCc2cccc(F)c2)C2CCCC2)C1 ZINC000263326034 1029689727 /nfs/dbraw/zinc/68/97/27/1029689727.db2.gz ORRIRLRMWIXXST-JKSUJKDBSA-N -1 0 347.430 3.640 20 0 EHADRM Cc1nc(C(=O)Nc2cccc(OC3CCCC3)c2)ccc1C(=O)[O-] ZINC000263363456 1029692077 /nfs/dbraw/zinc/69/20/77/1029692077.db2.gz VFZRKCPLZJYVFU-UHFFFAOYSA-N -1 0 340.379 3.662 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)CCCc1ccc2ccccc2c1 ZINC000263394020 1029693081 /nfs/dbraw/zinc/69/30/81/1029693081.db2.gz ZDTFGIJGJTVWIT-DNVCBOLYSA-N -1 0 339.435 3.874 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)cc1 ZINC000263383691 1029693570 /nfs/dbraw/zinc/69/35/70/1029693570.db2.gz XTIHAXZBAZWNTH-MGHWNKPDSA-N -1 0 329.440 3.625 20 0 EHADRM Cc1cccc2c(CCC(=O)N[C@H]3CCCCC[C@H]3C(=O)[O-])c[nH]c21 ZINC000263405227 1029694391 /nfs/dbraw/zinc/69/43/91/1029694391.db2.gz GANBEEWEAQWJMY-SJORKVTESA-N -1 0 342.439 3.559 20 0 EHADRM CCCCOc1cccc(NC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c1 ZINC000263475306 1029702909 /nfs/dbraw/zinc/70/29/09/1029702909.db2.gz JBKYALLRFJBQPL-IFXJQAMLSA-N -1 0 346.427 3.584 20 0 EHADRM CCc1oc(C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)cc1C(=O)[O-] ZINC000263512572 1029705471 /nfs/dbraw/zinc/70/54/71/1029705471.db2.gz CTXPCLBCEIKESN-GXTWGEPZSA-N -1 0 345.370 3.745 20 0 EHADRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000446646963 1029736981 /nfs/dbraw/zinc/73/69/81/1029736981.db2.gz YQWGHNRNIDFCEK-UHFFFAOYSA-N -1 0 341.429 3.665 20 0 EHADRM CO[C@H](C)c1nc(=N[C@H](C)COc2ccc(C(C)(C)C)cc2)s[n-]1 ZINC000509686975 1029765762 /nfs/dbraw/zinc/76/57/62/1029765762.db2.gz VQHFSTCICDGOQH-CHWSQXEVSA-N -1 0 349.500 3.844 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C)c2)s1 ZINC000525525275 1029881833 /nfs/dbraw/zinc/88/18/33/1029881833.db2.gz CUQVZYGYIVDGEL-UHFFFAOYSA-N -1 0 325.455 3.953 20 0 EHADRM CCOc1cc(NS(=O)(=O)c2cc(C)sc2C)ccc1C ZINC000555973775 1029990178 /nfs/dbraw/zinc/99/01/78/1029990178.db2.gz FARXESAGKXXYMY-UHFFFAOYSA-N -1 0 325.455 3.873 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2cc(C)ccc2Cl)cn1 ZINC000120297761 1029995102 /nfs/dbraw/zinc/99/51/02/1029995102.db2.gz OVYDPUXVQIKIED-UHFFFAOYSA-N -1 0 328.846 3.566 20 0 EHADRM CCc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2OC)c1 ZINC000447263651 1030049985 /nfs/dbraw/zinc/04/99/85/1030049985.db2.gz KFSTUXJGLNIHFZ-UHFFFAOYSA-N -1 0 325.817 3.712 20 0 EHADRM COc1cc(C)cc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1C ZINC000447266042 1030053588 /nfs/dbraw/zinc/05/35/88/1030053588.db2.gz UPQMKMIXLHQONS-UHFFFAOYSA-N -1 0 345.342 3.530 20 0 EHADRM CCSCc1ccnc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000090367837 1030105486 /nfs/dbraw/zinc/10/54/86/1030105486.db2.gz GGHKMKFYCACDMM-UHFFFAOYSA-N -1 0 340.445 3.583 20 0 EHADRM Cc1ocnc1CNC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000157851906 1030136430 /nfs/dbraw/zinc/13/64/30/1030136430.db2.gz FJXMJJCZXWAXEK-UHFFFAOYSA-N -1 0 342.782 3.939 20 0 EHADRM CCN(C(=O)N=c1[n-]nc(-c2cc(C)cc(C)c2)s1)C1CCC1 ZINC000481972094 1030141219 /nfs/dbraw/zinc/14/12/19/1030141219.db2.gz JAXTXYDNTCZQJS-UHFFFAOYSA-N -1 0 330.457 3.650 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1scnc1-c1ccccc1 ZINC000091055239 1030213130 /nfs/dbraw/zinc/21/31/30/1030213130.db2.gz MCACYQARMQYMGB-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM Cc1n[n-]c(=NC(=O)N[C@H](c2oc3ccccc3c2C)C(C)C)s1 ZINC000482114440 1030219623 /nfs/dbraw/zinc/21/96/23/1030219623.db2.gz OSFCCETULCFXIB-AWEZNQCLSA-N -1 0 344.440 3.842 20 0 EHADRM C[C@@H]1CCN(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])CC1(C)C ZINC000447527972 1030249001 /nfs/dbraw/zinc/24/90/01/1030249001.db2.gz HMJCMWWOQNNSQO-GFCCVEGCSA-N -1 0 347.846 3.740 20 0 EHADRM CCC[C@H](NC(=O)N[C@H](C)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000583652610 1030362943 /nfs/dbraw/zinc/36/29/43/1030362943.db2.gz HDKFHGIRSJFRNG-KCJUWKMLSA-N -1 0 333.215 3.607 20 0 EHADRM O=C(Cc1ccc2c(c1)OCO2)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000536094740 1030371765 /nfs/dbraw/zinc/37/17/65/1030371765.db2.gz INVHJGWLOXIKKS-UHFFFAOYSA-N -1 0 340.162 3.609 20 0 EHADRM Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000126935193 1030371899 /nfs/dbraw/zinc/37/18/99/1030371899.db2.gz FIRHBOWKOJZREJ-UHFFFAOYSA-N -1 0 347.223 3.968 20 0 EHADRM COc1ccc(CC2CCN(C(=O)c3c([O-])cccc3F)CC2)cc1 ZINC000122107331 1030501106 /nfs/dbraw/zinc/50/11/06/1030501106.db2.gz WDVUQNFMWJHEGT-UHFFFAOYSA-N -1 0 343.398 3.635 20 0 EHADRM CCN(C(=O)N=c1[n-]nc(/C=C\c2ccco2)s1)[C@@H](C)C(C)C ZINC000343387819 1030647437 /nfs/dbraw/zinc/64/74/37/1030647437.db2.gz ITNDJLBEVJRTIM-LAUAKBEESA-N -1 0 334.445 3.622 20 0 EHADRM CCN(C(=O)N=c1[n-]nc(/C=C/c2ccco2)s1)[C@H](C)C(C)C ZINC000343387815 1030648707 /nfs/dbraw/zinc/64/87/07/1030648707.db2.gz ITNDJLBEVJRTIM-IDVQTMNDSA-N -1 0 334.445 3.622 20 0 EHADRM Cc1cc(NC(=O)[C@H](C)Oc2ccccc2F)cc(C(=O)[O-])c1C ZINC000392124521 1030656182 /nfs/dbraw/zinc/65/61/82/1030656182.db2.gz ZFQSYAWSXBOWLJ-LBPRGKRZSA-N -1 0 331.343 3.547 20 0 EHADRM C[C@H]1CCCC[C@H]1N(C)C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000666028983 1030672025 /nfs/dbraw/zinc/67/20/25/1030672025.db2.gz FZUZVYRWZPUYHH-SMDDNHRTSA-N -1 0 349.381 3.507 20 0 EHADRM C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000666028982 1030672748 /nfs/dbraw/zinc/67/27/48/1030672748.db2.gz FZUZVYRWZPUYHH-RISCZKNCSA-N -1 0 349.381 3.507 20 0 EHADRM Cc1cccc(OC[C@H](C)NC(=O)c2cc(F)c([O-])c(Cl)c2)c1 ZINC000194478892 1030678222 /nfs/dbraw/zinc/67/82/22/1030678222.db2.gz OTOIFOBBMPKRTF-NSHDSACASA-N -1 0 337.778 3.690 20 0 EHADRM O=C(Nc1cccc(C(F)(F)F)c1)c1nn(-c2ccccc2)cc1[O-] ZINC000218288479 1030686927 /nfs/dbraw/zinc/68/69/27/1030686927.db2.gz BDBRAEMSLPRRLW-UHFFFAOYSA-N -1 0 347.296 3.849 20 0 EHADRM CC(C)n1cc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)cn1 ZINC000157608740 1030688936 /nfs/dbraw/zinc/68/89/36/1030688936.db2.gz SKQKMCVHLPBMNO-UHFFFAOYSA-N -1 0 349.456 3.586 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)c(Cl)c1C ZINC000527195514 1030721049 /nfs/dbraw/zinc/72/10/49/1030721049.db2.gz NTAQCJNPNLQLTA-UHFFFAOYSA-N -1 0 343.770 3.552 20 0 EHADRM CCC[C@@H](NC(=O)N=c1ccc(C2CC2)n[n-]1)c1ccc(F)cc1F ZINC000448159465 1030779771 /nfs/dbraw/zinc/77/97/71/1030779771.db2.gz YYLCXAHMNVIZDU-MRXNPFEDSA-N -1 0 346.381 3.717 20 0 EHADRM CCc1cc(CC)nc(N2CCC(c3ccccc3C(=O)[O-])CC2)n1 ZINC000668167585 1030824528 /nfs/dbraw/zinc/82/45/28/1030824528.db2.gz FLYDJRQBQFCMKJ-UHFFFAOYSA-N -1 0 339.439 3.684 20 0 EHADRM O=C(CCc1nc(-c2ccsc2)no1)Nc1cccc(Cl)c1[O-] ZINC000172108981 1030835057 /nfs/dbraw/zinc/83/50/57/1030835057.db2.gz UBACGWFXFFNCSW-UHFFFAOYSA-N -1 0 349.799 3.728 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1Cc2ccc(O)cc2C2(CC2)C1 ZINC000583819621 1030846866 /nfs/dbraw/zinc/84/68/66/1030846866.db2.gz XZFFTPZCHFGAFX-UHFFFAOYSA-N -1 0 347.773 3.578 20 0 EHADRM COc1ccnc(Br)c1Nc1ccc(C)c(C(=O)[O-])c1 ZINC001211599343 1030856726 /nfs/dbraw/zinc/85/67/26/1030856726.db2.gz GUPVSOYKGKMPEG-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM CC[C@@H]1CCN1Cc1cc(Br)c([O-])c(Br)c1 ZINC000668189634 1030896248 /nfs/dbraw/zinc/89/62/48/1030896248.db2.gz KINDKNGGOKXXQZ-SECBINFHSA-N -1 0 349.066 3.902 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)NC1(c2ccc(F)cc2)CC1 ZINC000448360779 1030984917 /nfs/dbraw/zinc/98/49/17/1030984917.db2.gz DDOJKPWYUYMTTJ-UHFFFAOYSA-N -1 0 348.381 3.515 20 0 EHADRM CCOc1cccc(CNc2cccc(C(=O)[O-])c2)c1OC(F)F ZINC000551054911 1030989257 /nfs/dbraw/zinc/98/92/57/1030989257.db2.gz DIDWHTUBPNOQBV-UHFFFAOYSA-N -1 0 337.322 3.997 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCCC[C@H](C)C3)n2)cc1 ZINC000476818000 1030999542 /nfs/dbraw/zinc/99/95/42/1030999542.db2.gz DBHYCPBTWAFRSH-HNNXBMFYSA-N -1 0 341.455 3.964 20 0 EHADRM C[C@H](CN(C)C(=O)N=c1ccc(-c2ccccc2)n[n-]1)c1ccccc1 ZINC000448352123 1031001454 /nfs/dbraw/zinc/00/14/54/1031001454.db2.gz CBFGKJKEUCXZFS-MRXNPFEDSA-N -1 0 346.434 3.833 20 0 EHADRM Cc1cc(C)nc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000162374669 1031027180 /nfs/dbraw/zinc/02/71/80/1031027180.db2.gz PVNLAWICZAMHTL-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC000262901803 1031156031 /nfs/dbraw/zinc/15/60/31/1031156031.db2.gz ISRCYXAFELCXNS-XPKDYRNWSA-N -1 0 349.427 3.706 20 0 EHADRM O=C([O-])c1cc(-c2ccccc2OC[C@@H]2CCOC2)ncc1Cl ZINC000583946137 1031185101 /nfs/dbraw/zinc/18/51/01/1031185101.db2.gz QVROPMRBYZLRNO-LLVKDONJSA-N -1 0 333.771 3.516 20 0 EHADRM O=C([O-])c1cc(-c2ccccc2OC[C@H]2CCOC2)ncc1Cl ZINC000583946138 1031185795 /nfs/dbraw/zinc/18/57/95/1031185795.db2.gz QVROPMRBYZLRNO-NSHDSACASA-N -1 0 333.771 3.516 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)C(C)(C)c2cccc(Cl)c2)C1 ZINC000262902368 1031190806 /nfs/dbraw/zinc/19/08/06/1031190806.db2.gz IEQSBJLSODUZOA-GOSISDBHSA-N -1 0 337.847 3.577 20 0 EHADRM Cc1ccccc1-c1n[n-]c(=NCc2ccc(F)c3cccnc23)o1 ZINC000551333929 1031231197 /nfs/dbraw/zinc/23/11/97/1031231197.db2.gz KUVLYIYGNGDMGS-UHFFFAOYSA-N -1 0 334.354 3.766 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)nc1 ZINC000116603431 1031254556 /nfs/dbraw/zinc/25/45/56/1031254556.db2.gz ZDFCDURCVHYTNY-UHFFFAOYSA-N -1 0 328.846 3.566 20 0 EHADRM Clc1cnccc1CSc1n[n-]c(=NCc2ccccc2)s1 ZINC000583984955 1031307877 /nfs/dbraw/zinc/30/78/77/1031307877.db2.gz HNBQRZLEZRRPCF-UHFFFAOYSA-N -1 0 348.884 3.913 20 0 EHADRM O=C([O-])c1cccc(NCc2ccccc2OCC(F)(F)F)c1 ZINC000551420956 1031314845 /nfs/dbraw/zinc/31/48/45/1031314845.db2.gz OUSBDCOTHPJAKZ-UHFFFAOYSA-N -1 0 325.286 3.938 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2nccc3sccc32)c(C)c1 ZINC000545184792 1031321077 /nfs/dbraw/zinc/32/10/77/1031321077.db2.gz BEYJOQMAUYLLAP-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM O=S(=O)([N-]c1cncc2ccccc21)c1ccc2ncccc2c1 ZINC000536184136 1031331833 /nfs/dbraw/zinc/33/18/33/1031331833.db2.gz RTOWXLYJWAESCH-UHFFFAOYSA-N -1 0 335.388 3.584 20 0 EHADRM Cc1c(F)cccc1[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000551467176 1031364343 /nfs/dbraw/zinc/36/43/43/1031364343.db2.gz SRLRQPPJDDKEEF-UHFFFAOYSA-N -1 0 335.734 3.867 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)C(C)(C)c1ccc(-c2ccccc2)cc1 ZINC000668273120 1031368013 /nfs/dbraw/zinc/36/80/13/1031368013.db2.gz UAIDECZBFZUVCB-CQSZACIVSA-N -1 0 325.408 3.611 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N(CC(C)C)C(CC)CC)s1 ZINC000483836666 1031369240 /nfs/dbraw/zinc/36/92/40/1031369240.db2.gz NXDZJCNWGDYRIC-UHFFFAOYSA-N -1 0 330.523 3.751 20 0 EHADRM CSc1cc(C)c(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)o1 ZINC000668279233 1031378071 /nfs/dbraw/zinc/37/80/71/1031378071.db2.gz XROXUKPKUJIOCP-UHFFFAOYSA-N -1 0 349.408 3.806 20 0 EHADRM CC(C)(c1ccc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1)C(F)(F)F ZINC000668284794 1031388684 /nfs/dbraw/zinc/38/86/84/1031388684.db2.gz XGNHOPFZTGHXFD-WCQYABFASA-N -1 0 343.345 3.510 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N[C@H]2CCCc3ccc(F)cc32)CC1 ZINC000668301351 1031433153 /nfs/dbraw/zinc/43/31/53/1031433153.db2.gz JGCRKWLNDHNKMG-AJUCZRQESA-N -1 0 333.403 3.600 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H](c3ccc(F)cc3)CC2)s1 ZINC000668314742 1031459328 /nfs/dbraw/zinc/45/93/28/1031459328.db2.gz XCPXNXAABYOKBN-LBPRGKRZSA-N -1 0 347.411 3.995 20 0 EHADRM Cc1c(C(=O)N=c2ccc(C(F)(F)F)n[n-]2)oc2c1c(C)ccc2C ZINC000484125836 1031461870 /nfs/dbraw/zinc/46/18/70/1031461870.db2.gz CKTNAXYLVIREDB-UHFFFAOYSA-N -1 0 349.312 3.841 20 0 EHADRM O=C([O-])[C@]1(CC(=O)Nc2ccc(Cl)c(Cl)c2)CCSC1 ZINC000064610283 1031570079 /nfs/dbraw/zinc/57/00/79/1031570079.db2.gz WJEIANJUWXNDQN-ZDUSSCGKSA-N -1 0 334.224 3.530 20 0 EHADRM COc1ccc(CNc2ccccc2CCCC(=O)[O-])c(F)c1OC ZINC000904015774 1031602706 /nfs/dbraw/zinc/60/27/06/1031602706.db2.gz WZHXHUHMCLBOFC-UHFFFAOYSA-N -1 0 347.386 3.862 20 0 EHADRM CCSc1n[n-]c(=NC(=O)c2ccc(C(F)(F)F)cc2C)s1 ZINC000448758380 1031608803 /nfs/dbraw/zinc/60/88/03/1031608803.db2.gz CTCCMOPGABPOMR-UHFFFAOYSA-N -1 0 347.387 3.652 20 0 EHADRM Cc1ccccc1-c1nc(=NC[C@@H]2CCOC3(CCC3)C2)s[n-]1 ZINC000528031698 1031610581 /nfs/dbraw/zinc/61/05/81/1031610581.db2.gz SNZJVFMZYGNFIS-CQSZACIVSA-N -1 0 329.469 3.697 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(-c3ccco3)nn2C(C)C)c(C)o1 ZINC000278607072 1031623676 /nfs/dbraw/zinc/62/36/76/1031623676.db2.gz FPUBIRFLEPZBPG-UHFFFAOYSA-N -1 0 349.412 3.735 20 0 EHADRM CCc1nocc1CNc1cc(Br)c(C)c(C(=O)[O-])c1 ZINC000904009918 1031628816 /nfs/dbraw/zinc/62/88/16/1031628816.db2.gz BZDFYDZOXIJJRS-UHFFFAOYSA-N -1 0 339.189 3.618 20 0 EHADRM CC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(-c2nc(C)cc(=O)[nH]2)cc1 ZINC000448796068 1031703874 /nfs/dbraw/zinc/70/38/74/1031703874.db2.gz QLGAGJJUJOJAPR-CZUORRHYSA-N -1 0 325.412 3.510 20 0 EHADRM CC1(NS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCC1 ZINC000551984595 1031817452 /nfs/dbraw/zinc/81/74/52/1031817452.db2.gz GXEFIDHCPKGAQR-UHFFFAOYSA-N -1 0 327.755 3.580 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)c(F)c1 ZINC000261862797 1031827750 /nfs/dbraw/zinc/82/77/50/1031827750.db2.gz KOGBXRUMKZPBMO-ZJUUUORDSA-N -1 0 333.281 3.831 20 0 EHADRM O=C([O-])N[C@@H]1C[C@@H](Nc2cc(Cl)cc3cccnc32)C12CCC2 ZINC000904230085 1031868074 /nfs/dbraw/zinc/86/80/74/1031868074.db2.gz XXWBVSVOWMBGJW-ZIAGYGMSSA-N -1 0 331.803 3.879 20 0 EHADRM Cc1ccc(N(C)Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)cc1 ZINC000904230753 1031869258 /nfs/dbraw/zinc/86/92/58/1031869258.db2.gz HXIVOHHMPJOSLH-UHFFFAOYSA-N -1 0 328.412 3.525 20 0 EHADRM C=COc1ccc(NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)cc1 ZINC000904248052 1031877015 /nfs/dbraw/zinc/87/70/15/1031877015.db2.gz WODZEBOGYJEAQG-UHFFFAOYSA-N -1 0 342.395 3.715 20 0 EHADRM O=C(N=c1nc(-c2ccccc2)[n-]s1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000537735540 1031877447 /nfs/dbraw/zinc/87/74/47/1031877447.db2.gz GLCZBOGAANCWRW-LSDHHAIUSA-N -1 0 339.395 3.508 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2cccc3ccccc32)n[nH]1 ZINC000008697287 1031901089 /nfs/dbraw/zinc/90/10/89/1031901089.db2.gz QWYUFUMKOAAJRA-UHFFFAOYSA-N -1 0 329.425 3.661 20 0 EHADRM Cc1ccc(S(=O)(=O)N(CC(C)C)c2ccccc2)cc1C(=O)[O-] ZINC000392195728 1031946499 /nfs/dbraw/zinc/94/64/99/1031946499.db2.gz KPSKWKZJGCYUFJ-UHFFFAOYSA-N -1 0 347.436 3.545 20 0 EHADRM O=S(=O)(Nc1ccc(F)cc1Cl)c1cccc(Cl)c1[O-] ZINC000584220260 1031957062 /nfs/dbraw/zinc/95/70/62/1031957062.db2.gz AXPHSJZDRTUSHN-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)[C@@H]1OCCc2ccccc21 ZINC000159222202 1031965495 /nfs/dbraw/zinc/96/54/95/1031965495.db2.gz NEHAZPIPQONMIO-OAHLLOKOSA-N -1 0 338.190 3.952 20 0 EHADRM O=C([O-])CC1(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CCCC1 ZINC000448989235 1031997148 /nfs/dbraw/zinc/99/71/48/1031997148.db2.gz DFCNDCYWBLVNIG-UHFFFAOYSA-N -1 0 340.423 3.564 20 0 EHADRM CC(C)c1ccc(C(=O)NC[C@](C)(C(=O)[O-])c2ccc(F)cc2)s1 ZINC000448992799 1032000501 /nfs/dbraw/zinc/00/05/01/1032000501.db2.gz LRAHQJKTPBRNQX-SFHVURJKSA-N -1 0 349.427 3.783 20 0 EHADRM O=S(=O)([N-]c1ccc(Oc2ccccc2)nc1)c1ccsc1 ZINC000350013028 1032023263 /nfs/dbraw/zinc/02/32/63/1032023263.db2.gz UMEVRMMCRAUIFQ-UHFFFAOYSA-N -1 0 332.406 3.736 20 0 EHADRM C[C@H]1CN(C(=O)c2ccccc2OC2CCCCC2)CC[C@@H]1C(=O)[O-] ZINC000449002866 1032040947 /nfs/dbraw/zinc/04/09/47/1032040947.db2.gz NMBOUGOFJUJIMW-HOCLYGCPSA-N -1 0 345.439 3.581 20 0 EHADRM CO[C@@H](C)c1nc(=Nc2ccc(OC3CCCC3)c(F)c2)s[n-]1 ZINC000574705149 1033360173 /nfs/dbraw/zinc/36/01/73/1033360173.db2.gz FVEZDPWFWKCYSA-JTQLQIEISA-N -1 0 337.420 3.872 20 0 EHADRM CCc1ccc(CN=c2[n-]nc(CCc3ccc(OC)cc3)o2)s1 ZINC000537490418 1033390855 /nfs/dbraw/zinc/39/08/55/1033390855.db2.gz JFKSKGKSSVDUBC-UHFFFAOYSA-N -1 0 343.452 3.521 20 0 EHADRM CC1=Nc2ccccc2C12CCN(C(=O)c1c([O-])cccc1F)CC2 ZINC000898246220 1033402707 /nfs/dbraw/zinc/40/27/07/1033402707.db2.gz UFIKIKGQAKEPRA-UHFFFAOYSA-N -1 0 338.382 3.811 20 0 EHADRM COc1ccc(OC)c(-c2noc(-c3cccc(Cl)c3[O-])n2)c1 ZINC000761381294 1033432651 /nfs/dbraw/zinc/43/26/51/1033432651.db2.gz IFJHQOCWMUWILQ-UHFFFAOYSA-N -1 0 332.743 3.780 20 0 EHADRM C[C@H]1C[C@@H]1c1nc(=O)c2sc(-c3ccc4c(c3)OCCO4)cc2[n-]1 ZINC000608102992 1033495834 /nfs/dbraw/zinc/49/58/34/1033495834.db2.gz UWDFVCMQDXMJMI-ONGXEEELSA-N -1 0 340.404 3.546 20 0 EHADRM CC(=O)c1cccc(NC(=O)c2ccc(Br)cc2[O-])c1 ZINC000044483968 1033497486 /nfs/dbraw/zinc/49/74/86/1033497486.db2.gz JSTLCTKMXDPRKM-UHFFFAOYSA-N -1 0 334.169 3.610 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]C(=O)c1cc2ccccc2s1 ZINC000059250589 1033513026 /nfs/dbraw/zinc/51/30/26/1033513026.db2.gz NIEOZDOUQTWIFP-UHFFFAOYSA-N -1 0 331.418 3.903 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)nc1 ZINC000608258566 1033554557 /nfs/dbraw/zinc/55/45/57/1033554557.db2.gz QDOOXOFMNPAWDK-UHFFFAOYSA-N -1 0 340.404 3.558 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](c2ccccc2)C(C)C)cc1C ZINC000173884046 1033592202 /nfs/dbraw/zinc/59/22/02/1033592202.db2.gz UYARSBRXJHTJBJ-SFHVURJKSA-N -1 0 345.464 3.548 20 0 EHADRM CC[C@@H](NC(=O)NC1CCC(C(=O)[O-])CC1)c1cc(C)ccc1C ZINC000529224499 1033624678 /nfs/dbraw/zinc/62/46/78/1033624678.db2.gz YVOFPYLLJMKTEE-VMBOVVBDSA-N -1 0 332.444 3.697 20 0 EHADRM C[C@H](CCN=c1[n-]nc(C2CC2)o1)c1cccc(C(F)(F)F)c1 ZINC000574863776 1033684699 /nfs/dbraw/zinc/68/46/99/1033684699.db2.gz CMEPCBGKLZXHKP-SNVBAGLBSA-N -1 0 325.334 3.993 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)c1 ZINC000476384819 1033726051 /nfs/dbraw/zinc/72/60/51/1033726051.db2.gz HOPZWAHHHVEWII-UHFFFAOYSA-N -1 0 349.305 3.675 20 0 EHADRM CCN(CC(=O)[O-])C(=O)N[C@H](C)c1ccccc1Oc1ccccc1 ZINC000780515281 1033732727 /nfs/dbraw/zinc/73/27/27/1033732727.db2.gz ZCUJYOUCNWBVQF-CQSZACIVSA-N -1 0 342.395 3.656 20 0 EHADRM Cc1cc(C([O-])=C[S@@](=O)Cc2ccc(C(C)C)cc2)c(C)n1C ZINC000603534551 1033739192 /nfs/dbraw/zinc/73/91/92/1033739192.db2.gz RECNBNSAVUBTFM-QHCPKHFHSA-N -1 0 331.481 3.897 20 0 EHADRM CCn1nccc1C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000132002065 1033741567 /nfs/dbraw/zinc/74/15/67/1033741567.db2.gz CRNHWAURKGXTRD-UHFFFAOYSA-N -1 0 334.590 3.821 20 0 EHADRM CSc1ccc(NC(=O)N2CCCC[C@H]2C(=O)[O-])cc1Cl ZINC000575015316 1033775750 /nfs/dbraw/zinc/77/57/50/1033775750.db2.gz OXPYXLGZWZUMQS-NSHDSACASA-N -1 0 328.821 3.533 20 0 EHADRM Cc1noc(C)c1[C@H](C)NC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1 ZINC000603719972 1033879444 /nfs/dbraw/zinc/87/94/44/1033879444.db2.gz KTIUFIDZZREIAI-VOJFVSQTSA-N -1 0 336.432 3.530 20 0 EHADRM C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(c2nc(C(=O)[O-])co2)C1 ZINC000575185234 1033884987 /nfs/dbraw/zinc/88/49/87/1033884987.db2.gz RKUBOMKECJOUBQ-ZANVPECISA-N -1 0 340.301 3.979 20 0 EHADRM CCC[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000612036692 1033931639 /nfs/dbraw/zinc/93/16/39/1033931639.db2.gz OAQJELXTYYYITP-MRVPVSSYSA-N -1 0 329.771 3.826 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000603832055 1033958321 /nfs/dbraw/zinc/95/83/21/1033958321.db2.gz YNROPXPBBQHIHR-CQSZACIVSA-N -1 0 343.427 3.965 20 0 EHADRM COc1c(Cl)cc(Cl)cc1/C=C\c1cc(C(=O)[O-])ncn1 ZINC000534144452 1034162769 /nfs/dbraw/zinc/16/27/69/1034162769.db2.gz HCIQMQOSKJTEJS-IHWYPQMZSA-N -1 0 325.151 3.661 20 0 EHADRM Cc1cc(=NC(=O)C2(c3cccc(Cl)c3)CCCC2)[n-]nc1C ZINC000604233307 1034288885 /nfs/dbraw/zinc/28/88/85/1034288885.db2.gz POQUVTRKPOBRIR-UHFFFAOYSA-N -1 0 329.831 3.619 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)c1ccc(-c2ccc(F)cc2)s1 ZINC000604707951 1034461590 /nfs/dbraw/zinc/46/15/90/1034461590.db2.gz DBVQTWYQYDLVBA-UHFFFAOYSA-N -1 0 339.395 3.896 20 0 EHADRM CCc1oc(C(=O)N2CC[C@@H](c3ccccc3)C[C@H]2C)cc1C(=O)[O-] ZINC000450532028 1034465579 /nfs/dbraw/zinc/46/55/79/1034465579.db2.gz LWQAHECFPWAXRZ-UKRRQHHQSA-N -1 0 341.407 3.949 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)NC[C@@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC000450525474 1034477578 /nfs/dbraw/zinc/47/75/78/1034477578.db2.gz RFJYFLJFLFORLJ-LJQANCHMSA-N -1 0 347.386 3.623 20 0 EHADRM CC1(C)CN(C(=O)C2CCC(C(=O)[O-])CC2)C[C@H]1c1ccccc1 ZINC000450538823 1034512680 /nfs/dbraw/zinc/51/26/80/1034512680.db2.gz HPMPGSQOZHTJIE-JCYILVPMSA-N -1 0 329.440 3.530 20 0 EHADRM CC(C)(CNC(=O)N=c1nc(C(C)(C)C)[n-]s1)Cc1ccccc1 ZINC000605032489 1034585035 /nfs/dbraw/zinc/58/50/35/1034585035.db2.gz UCIRJKUTSGAFRN-UHFFFAOYSA-N -1 0 346.500 3.648 20 0 EHADRM O=C([O-])c1cnc(N2CC[C@H](C(F)(F)F)C3(CCC3)C2)c(Cl)c1 ZINC000647454716 1034584966 /nfs/dbraw/zinc/58/49/66/1034584966.db2.gz ZIBUASQTTGCIHT-NSHDSACASA-N -1 0 348.752 3.992 20 0 EHADRM O=C([O-])c1cnc(N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c(Cl)c1 ZINC000647454715 1034586090 /nfs/dbraw/zinc/58/60/90/1034586090.db2.gz ZIBUASQTTGCIHT-LLVKDONJSA-N -1 0 348.752 3.992 20 0 EHADRM CN1CCC[C@@H](NC(=O)c2ccc([O-])c(Cl)c2)c2ccccc21 ZINC000456604589 1034589624 /nfs/dbraw/zinc/58/96/24/1034589624.db2.gz XXUOEDBAOLBAKA-OAHLLOKOSA-N -1 0 330.815 3.747 20 0 EHADRM CC1(C(=O)[O-])CCN(c2ccnc3cc(Br)ccc32)CC1 ZINC000647457452 1034594213 /nfs/dbraw/zinc/59/42/13/1034594213.db2.gz HPYDEXFCBBWNAS-UHFFFAOYSA-N -1 0 349.228 3.688 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)c1cc2c(s1)CCC2 ZINC000060489254 1034622638 /nfs/dbraw/zinc/62/26/38/1034622638.db2.gz QCPUQYBSNBRZJY-UHFFFAOYSA-N -1 0 341.841 3.584 20 0 EHADRM CCc1cccc(C)c1N=c1[n-]nc(SCC2(C)COC2)s1 ZINC000605364598 1034720906 /nfs/dbraw/zinc/72/09/06/1034720906.db2.gz AWMRMAPNECCAJS-UHFFFAOYSA-N -1 0 335.498 3.703 20 0 EHADRM CCCN(Cc1ccc(OC)cc1)C(=O)c1s[n-]c(=O)c1Cl ZINC000529924975 1034778001 /nfs/dbraw/zinc/77/80/01/1034778001.db2.gz PBJUKAWHPQZSSF-UHFFFAOYSA-N -1 0 340.832 3.563 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](C)CC(=O)[O-])c(Sc2ccccc2)c1 ZINC000431646633 1034780617 /nfs/dbraw/zinc/78/06/17/1034780617.db2.gz XUPIBJFETRTZEN-ZDUSSCGKSA-N -1 0 329.421 3.739 20 0 EHADRM CC(C)c1noc(=NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)[n-]1 ZINC000605691162 1034820914 /nfs/dbraw/zinc/82/09/14/1034820914.db2.gz SOTGQGDCJYMYHB-YUMQZZPRSA-N -1 0 345.287 3.936 20 0 EHADRM C[C@@H](S[C@H](C)C(=O)Nc1cccc(-c2cccs2)c1)C(=O)[O-] ZINC000601983948 1034846534 /nfs/dbraw/zinc/84/65/34/1034846534.db2.gz MWDMGXTZVVRFDE-GHMZBOCLSA-N -1 0 335.450 3.948 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)[C@H](C)S[C@H](C)C(=O)[O-] ZINC000601984830 1034847391 /nfs/dbraw/zinc/84/73/91/1034847391.db2.gz TYRIXZHOVWUUNU-VHSXEESVSA-N -1 0 343.876 3.998 20 0 EHADRM CSc1ccc(NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-])cc1Cl ZINC000601987542 1034855232 /nfs/dbraw/zinc/85/52/32/1034855232.db2.gz IFUJLWZVYQXWNY-HTQZYQBOSA-N -1 0 333.862 3.595 20 0 EHADRM CCc1cccc(CC)c1S(=O)(=O)[N-]c1nc(C2CC2)cs1 ZINC000606143867 1034874166 /nfs/dbraw/zinc/87/41/66/1034874166.db2.gz ZFDQRPWGHLPLMI-UHFFFAOYSA-N -1 0 336.482 3.946 20 0 EHADRM CCC(C)(C)N(C)C(=O)Nc1cccc(Br)c1C(=O)[O-] ZINC000530143259 1035003936 /nfs/dbraw/zinc/00/39/36/1035003936.db2.gz KEUUVOSWCAZHBC-UHFFFAOYSA-N -1 0 343.221 3.800 20 0 EHADRM CC[C@H]1[C@H](C)CCN1C(=O)c1cc(Br)c(F)cc1[O-] ZINC000451004692 1035023696 /nfs/dbraw/zinc/02/36/96/1035023696.db2.gz WCCBVIANXVXOBB-PELKAZGASA-N -1 0 330.197 3.554 20 0 EHADRM CO[C@H](CS(=O)(=O)[N-]c1ccccc1OC(C)C)c1ccccc1 ZINC000450981898 1035011773 /nfs/dbraw/zinc/01/17/73/1035011773.db2.gz JGXBKJROMIVISN-GOSISDBHSA-N -1 0 349.452 3.603 20 0 EHADRM O=C([O-])[C@@H]1c2ccoc2CCN1Cc1csc(C2CCCCC2)n1 ZINC000530165475 1035014783 /nfs/dbraw/zinc/01/47/83/1035014783.db2.gz GKGASWCSWQCCMX-INIZCTEOSA-N -1 0 346.452 3.968 20 0 EHADRM C[C@@H](c1ncc(C(C)(C)C)o1)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000530168567 1035017797 /nfs/dbraw/zinc/01/77/97/1035017797.db2.gz KGEGQKATKAURIN-NSHDSACASA-N -1 0 346.402 3.929 20 0 EHADRM CC(C)(C)Oc1ccccc1[N-]S(=O)(=O)c1sccc1F ZINC000451008029 1035025512 /nfs/dbraw/zinc/02/55/12/1035025512.db2.gz FAEMJSHEDITZII-UHFFFAOYSA-N -1 0 329.418 3.865 20 0 EHADRM CCc1ccsc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000066004152 1035105085 /nfs/dbraw/zinc/10/50/85/1035105085.db2.gz XTUQUSLGXCLFDH-UHFFFAOYSA-N -1 0 349.477 3.883 20 0 EHADRM CSCc1ccccc1NC(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000612652763 1035136857 /nfs/dbraw/zinc/13/68/57/1035136857.db2.gz CWQPTPNWUIKSEX-OAHLLOKOSA-N -1 0 329.421 3.747 20 0 EHADRM CC(C)c1nc(/C=C\c2c(Cl)nc3ccccn32)ncc1C(=O)[O-] ZINC000255868298 1035160241 /nfs/dbraw/zinc/16/02/41/1035160241.db2.gz KBQOMRCGCPOYHQ-SREVYHEPSA-N -1 0 342.786 3.770 20 0 EHADRM O=C(Nc1ccc(N2CCCCC2)cc1)c1c([O-])cc(F)cc1F ZINC000066041897 1035172647 /nfs/dbraw/zinc/17/26/47/1035172647.db2.gz HZTNWNBZMTYHEW-UHFFFAOYSA-N -1 0 332.350 3.913 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)NCCC1CC(F)(F)C1)C1CCCCC1 ZINC000414088216 1035473909 /nfs/dbraw/zinc/47/39/09/1035473909.db2.gz JDTNKEWRFQLAAO-INIZCTEOSA-N -1 0 331.403 3.599 20 0 EHADRM C[C@H](CCCc1cccnc1)NC(=O)CC1(C(=O)[O-])CCCCCC1 ZINC000414093659 1035483068 /nfs/dbraw/zinc/48/30/68/1035483068.db2.gz FYPULYRYFWKFFG-MRXNPFEDSA-N -1 0 346.471 3.724 20 0 EHADRM CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1N=c1[n-]nc(C(F)F)s1 ZINC000376234115 1035484443 /nfs/dbraw/zinc/48/44/43/1035484443.db2.gz BEAJNBMDTDXAKW-YNEHKIRRSA-N -1 0 339.411 3.661 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2cc(C(C)=O)ccc2[O-])cc1 ZINC000613285046 1035492688 /nfs/dbraw/zinc/49/26/88/1035492688.db2.gz RBQIKZUBBIKDDN-RDJZCZTQSA-N -1 0 339.391 3.736 20 0 EHADRM C[C@@](CC(=O)NCC1(C2CCC2)CCC1)(C(=O)[O-])c1ccccc1 ZINC000414101209 1035498559 /nfs/dbraw/zinc/49/85/59/1035498559.db2.gz WCLRVBPRPKBMMX-IBGZPJMESA-N -1 0 329.440 3.506 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)c1cccn1C1CCCC1 ZINC000431792318 1035511137 /nfs/dbraw/zinc/51/11/37/1035511137.db2.gz BYVNPVYUHCDLMR-HZPDHXFCSA-N -1 0 332.444 3.757 20 0 EHADRM CCCOc1ccc(CCC(=O)N=c2nc(C(C)(C)C)[n-]s2)cc1 ZINC000463481434 1035548994 /nfs/dbraw/zinc/54/89/94/1035548994.db2.gz MYXDATXEPVMUAE-UHFFFAOYSA-N -1 0 347.484 3.618 20 0 EHADRM O=C(N=c1[n-]nc(C(F)(F)F)s1)N[C@@H]1CCCCC12CCCC2 ZINC000463542187 1035610440 /nfs/dbraw/zinc/61/04/40/1035610440.db2.gz LEBOAOGSSPOAKP-SECBINFHSA-N -1 0 348.394 3.603 20 0 EHADRM COC(=O)Nc1cccc(NC(=O)CCCc2ccc(O)c(F)c2)c1 ZINC000492307270 1035616966 /nfs/dbraw/zinc/61/69/66/1035616966.db2.gz KKWPAIRVNLDNEL-UHFFFAOYSA-N -1 0 346.358 3.671 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)CCc1cc2ccccc2o1 ZINC000540714415 1035618609 /nfs/dbraw/zinc/61/86/09/1035618609.db2.gz LYGVOWVQIGIZCP-DLBZAZTESA-N -1 0 343.423 3.905 20 0 EHADRM Fc1cccc(Cc2n[n-]c(=NCc3cccc4cc[nH]c43)s2)c1 ZINC000540791250 1035685636 /nfs/dbraw/zinc/68/56/36/1035685636.db2.gz MSBDHDYQNXCTDI-UHFFFAOYSA-N -1 0 338.411 3.783 20 0 EHADRM CC(=C([O-])c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000321386358 1035715327 /nfs/dbraw/zinc/71/53/27/1035715327.db2.gz HUOICDSTNLPQAI-MRXNPFEDSA-N -1 0 330.449 3.965 20 0 EHADRM CCN(CC(C)(C)C)C(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000463668883 1035726906 /nfs/dbraw/zinc/72/69/06/1035726906.db2.gz KJIMZWOFNFIRQY-UHFFFAOYSA-N -1 0 338.502 3.897 20 0 EHADRM O=C([O-])C[C@H](NC(=O)/C=C/SCc1ccco1)C1CCCCC1 ZINC000492389123 1035737623 /nfs/dbraw/zinc/73/76/23/1035737623.db2.gz XIAGPQFMNMWZPW-HQPKTYMTSA-N -1 0 337.441 3.566 20 0 EHADRM O=S(=O)(CCCC(F)(F)F)[N-][C@@H](c1ccccc1)C(F)(F)F ZINC000540874138 1035753647 /nfs/dbraw/zinc/75/36/47/1035753647.db2.gz NGFBBVPAWNZRQM-JTQLQIEISA-N -1 0 349.296 3.552 20 0 EHADRM Cc1ccc(C[C@H](C)N(C)C(=O)c2nn(-c3ccccc3)cc2[O-])cc1 ZINC000174105602 1035791648 /nfs/dbraw/zinc/79/16/48/1035791648.db2.gz HHWIHEPNIJRUEQ-INIZCTEOSA-N -1 0 349.434 3.590 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1cc(C)c(C)c2ncccc12 ZINC000174023622 1035839739 /nfs/dbraw/zinc/83/97/39/1035839739.db2.gz JDCMWKCKXCGFNP-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM CC[C@H](Cc1ccccc1-c1ccc(C(=O)NC)c(C)c1)C(=O)[O-] ZINC000521273509 1035888098 /nfs/dbraw/zinc/88/80/98/1035888098.db2.gz UIYGSELGDXIDBA-CQSZACIVSA-N -1 0 325.408 3.675 20 0 EHADRM Cc1ccc(CC(=O)[O-])cc1-c1cccc(CO[C@@H]2CCOC2)c1 ZINC000521371679 1035922074 /nfs/dbraw/zinc/92/20/74/1035922074.db2.gz JRJNSKBXFBWQQM-GOSISDBHSA-N -1 0 326.392 3.595 20 0 EHADRM C[C@@H](CC(=O)N=c1nc(-c2ccccc2)[n-]s1)c1ccccc1F ZINC000588364339 1035923905 /nfs/dbraw/zinc/92/39/05/1035923905.db2.gz DLFOPRCPIYOKPO-LBPRGKRZSA-N -1 0 341.411 3.898 20 0 EHADRM CCCC[C@H](NC(=O)N[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000572029198 1035951605 /nfs/dbraw/zinc/95/16/05/1035951605.db2.gz MYDWZNRLZKRUTC-GWCFXTLKSA-N -1 0 346.349 3.709 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cccc3c[nH]nc32)c1C ZINC000024381228 1036031643 /nfs/dbraw/zinc/03/16/43/1036031643.db2.gz VFWZDQWBJFBQFH-UHFFFAOYSA-N -1 0 329.425 3.597 20 0 EHADRM O=S(=O)([N-]c1cccc(Oc2ccccn2)c1)c1cccs1 ZINC000174772185 1036084460 /nfs/dbraw/zinc/08/44/60/1036084460.db2.gz OLPCIZAMPCDKJU-UHFFFAOYSA-N -1 0 332.406 3.736 20 0 EHADRM Cn1ccc2c1cccc2NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000588911245 1036174806 /nfs/dbraw/zinc/17/48/06/1036174806.db2.gz VKTIYJZLXKNKNY-HXUWFJFHSA-N -1 0 336.391 3.549 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)c1 ZINC000174971870 1036186909 /nfs/dbraw/zinc/18/69/09/1036186909.db2.gz LNVUWRMRKLZOMY-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM CCC(CC)(CC(=O)Nc1cc(F)ccc1OCC1CC1)C(=O)[O-] ZINC000190205219 1036204037 /nfs/dbraw/zinc/20/40/37/1036204037.db2.gz RYRFQNDJNGLVFK-UHFFFAOYSA-N -1 0 337.391 3.834 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2cc(F)ccc2OCC2CC2)CCCC1 ZINC000190204845 1036204291 /nfs/dbraw/zinc/20/42/91/1036204291.db2.gz ZZZWYRISXIKEIY-UHFFFAOYSA-N -1 0 349.402 3.978 20 0 EHADRM CC(C)n1cc([C@@H](C)N=c2[n-]nc(Cc3ccccc3)s2)cn1 ZINC000541349439 1036225994 /nfs/dbraw/zinc/22/59/94/1036225994.db2.gz UUICRBXPWYHPSP-CYBMUJFWSA-N -1 0 327.457 3.501 20 0 EHADRM CC(=O)Nc1ccc(/C=C/C(=O)Nc2cc(Cl)c([O-])cc2F)cc1 ZINC000492798805 1036316021 /nfs/dbraw/zinc/31/60/21/1036316021.db2.gz LGZXOMUTTFWEHK-QPJJXVBHSA-N -1 0 348.761 3.795 20 0 EHADRM Cc1cc2c(cc1C)[C@H](C(=O)Nc1cc(Cl)c([O-])cc1F)CO2 ZINC000376379112 1036393571 /nfs/dbraw/zinc/39/35/71/1036393571.db2.gz WJMJORYJJVVJMU-LLVKDONJSA-N -1 0 335.762 3.916 20 0 EHADRM COc1ccc([C@H](C)N=c2[n-]c(-c3cccc(Cl)c3)no2)cc1 ZINC000520757257 1036413154 /nfs/dbraw/zinc/41/31/54/1036413154.db2.gz FXASCFWPQYLRTE-NSHDSACASA-N -1 0 329.787 3.994 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2ccc(C)cc2F)ccc1Cl ZINC000404833832 1036430640 /nfs/dbraw/zinc/43/06/40/1036430640.db2.gz WHVSKIVDGOYTFM-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)c1 ZINC000685901728 1036461595 /nfs/dbraw/zinc/46/15/95/1036461595.db2.gz LLKJRASDNFBIOM-UHFFFAOYSA-N -1 0 345.342 3.829 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)NCc2ccc(Cl)c(Cl)c2)CC1 ZINC000659198574 1036517480 /nfs/dbraw/zinc/51/74/80/1036517480.db2.gz LLIDQBQIQOAEIW-XYPYZODXSA-N -1 0 330.211 3.501 20 0 EHADRM CC[C@@H](CC(=O)N[C@@](C)(CC(=O)[O-])C(C)C)c1ccc(OC)cc1 ZINC000263159707 1036537006 /nfs/dbraw/zinc/53/70/06/1036537006.db2.gz ZSLQCKMKDVGEIN-LIRRHRJNSA-N -1 0 335.444 3.585 20 0 EHADRM O=C(Cc1ccc2c(c1)COC2)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000541721703 1036591286 /nfs/dbraw/zinc/59/12/86/1036591286.db2.gz YJURCLGCQNAKQM-UHFFFAOYSA-N -1 0 338.190 3.910 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cc1O)c1cccc(Cl)c1F ZINC000513814091 1036594320 /nfs/dbraw/zinc/59/43/20/1036594320.db2.gz RHWYRPUEMKTWTR-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263169528 1036600024 /nfs/dbraw/zinc/60/00/24/1036600024.db2.gz RVOKGNGXDIQAJR-NXEZZACHSA-N -1 0 342.848 3.636 20 0 EHADRM C[C@@H](CCOc1ccccc1)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000263194588 1036617233 /nfs/dbraw/zinc/61/72/33/1036617233.db2.gz IZQXPUAGIYVGKJ-GJZGRUSLSA-N -1 0 341.407 3.918 20 0 EHADRM CCOc1cc(CN=c2[n-]nc(C(C)(C)C)o2)ccc1OCC(C)C ZINC000541825249 1036679274 /nfs/dbraw/zinc/67/92/74/1036679274.db2.gz YEFITUHLASWANV-UHFFFAOYSA-N -1 0 347.459 3.835 20 0 EHADRM CCCN(Cc1c(F)cccc1Cl)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000263325476 1036776758 /nfs/dbraw/zinc/77/67/58/1036776758.db2.gz OQBQPACVOPWYBH-NEPJUHHUSA-N -1 0 341.810 3.719 20 0 EHADRM C[C@@H](NC(=O)N=c1[n-]nc(C(C)(C)C)s1)C(C)(C)c1ccccc1 ZINC000590325659 1036831362 /nfs/dbraw/zinc/83/13/62/1036831362.db2.gz SHMCWJVHOOCKFN-GFCCVEGCSA-N -1 0 346.500 3.745 20 0 EHADRM C[C@@H](C(=O)N1CCC[C@]1(C)C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000263392107 1036838917 /nfs/dbraw/zinc/83/89/17/1036838917.db2.gz CZUYTYDLDONDFV-RFAUZJTJSA-N -1 0 330.211 3.563 20 0 EHADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000237645213 1036839044 /nfs/dbraw/zinc/83/90/44/1036839044.db2.gz SMDIUVHBQRIVDC-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM Cc1ccc(CCCC(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000237695910 1036882521 /nfs/dbraw/zinc/88/25/21/1036882521.db2.gz ZAKBYTKSJMLQKD-HNNXBMFYSA-N -1 0 331.437 3.711 20 0 EHADRM COc1ccc([C@H](N=c2nc(C)[n-]s2)c2ccc(C)cc2)cc1 ZINC000462376364 1036892764 /nfs/dbraw/zinc/89/27/64/1036892764.db2.gz JMNMDJAKRBFYRK-QGZVFWFLSA-N -1 0 325.437 3.787 20 0 EHADRM CCCCOc1ncccc1CN=c1nc(-c2ccccc2)[n-]s1 ZINC000462375304 1036892948 /nfs/dbraw/zinc/89/29/48/1036892948.db2.gz CQIIBXVQXDHXGZ-UHFFFAOYSA-N -1 0 340.452 3.813 20 0 EHADRM CSc1cccc(N(C)C(=O)N=c2[n-]nc(C(C)(C)C)s2)c1 ZINC000572981842 1036914240 /nfs/dbraw/zinc/91/42/40/1036914240.db2.gz CWFHJLFDDMDAAX-UHFFFAOYSA-N -1 0 336.486 3.648 20 0 EHADRM Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000666364911 1036926339 /nfs/dbraw/zinc/92/63/39/1036926339.db2.gz PCLIRMXMDPFEGA-NSHDSACASA-N -1 0 343.427 3.695 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2ccc(OC3CCCC3)cc2)CC=CCC1 ZINC000653281721 1036930556 /nfs/dbraw/zinc/93/05/56/1036930556.db2.gz XEYSZBIXVMDRCR-IBGZPJMESA-N -1 0 329.396 3.758 20 0 EHADRM CC(/C=C(/C#N)C(=O)Nc1ccc(C(=O)[O-])cc1)=C/c1ccccc1 ZINC000057537989 1036934737 /nfs/dbraw/zinc/93/47/37/1036934737.db2.gz AIPOPVPETVIFQG-AMHNRXTASA-N -1 0 332.359 3.877 20 0 EHADRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)c1ccc(SC(F)F)cc1 ZINC000263452021 1036938351 /nfs/dbraw/zinc/93/83/51/1036938351.db2.gz OJPFNIVYUDPKPI-OLZOCXBDSA-N -1 0 343.395 3.765 20 0 EHADRM CCCS(=O)(=O)[N-]c1nc(C)c(Cc2cccc(Cl)c2)s1 ZINC000539598088 1036949347 /nfs/dbraw/zinc/94/93/47/1036949347.db2.gz BOGFPTNKQZHFBC-UHFFFAOYSA-N -1 0 344.889 3.847 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H](C(=O)[O-])C3)cc2)cc1 ZINC000263464925 1036956686 /nfs/dbraw/zinc/95/66/86/1036956686.db2.gz FWDAUTORZLQIBB-AWEZNQCLSA-N -1 0 340.379 3.726 20 0 EHADRM CCC(CC)CC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000151532145 1036995746 /nfs/dbraw/zinc/99/57/46/1036995746.db2.gz MUPCJVSEHMZNKL-UHFFFAOYSA-N -1 0 338.256 3.625 20 0 EHADRM CCCn1ccc2cc(NC(=O)NC(C)(C)CCC(=O)[O-])ccc21 ZINC000263502455 1037015652 /nfs/dbraw/zinc/01/56/52/1037015652.db2.gz UGNKUGNNFBHNIB-UHFFFAOYSA-N -1 0 331.416 3.816 20 0 EHADRM Cc1n[n-]c(=NC(=O)N2CCC[C@@H]2c2ccc(C(C)C)cc2)s1 ZINC000533921948 1037035068 /nfs/dbraw/zinc/03/50/68/1037035068.db2.gz BMIDSTAYGPHXRC-OAHLLOKOSA-N -1 0 330.457 3.761 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)[N-]OCCC(F)(F)F ZINC000162807365 1037043707 /nfs/dbraw/zinc/04/37/07/1037043707.db2.gz QPROAOXAAIPXLW-QMMMGPOBSA-N -1 0 327.755 3.821 20 0 EHADRM C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[N-]OCCC(F)(F)F ZINC000162858004 1037059594 /nfs/dbraw/zinc/05/95/94/1037059594.db2.gz CQRRTNQYXYQVRC-ZETCQYMHSA-N -1 0 346.132 3.761 20 0 EHADRM CCCCOc1ccc(CN=c2[n-]nc(CC(C)(C)C)o2)cc1OC ZINC000539694347 1037085290 /nfs/dbraw/zinc/08/52/90/1037085290.db2.gz GXIVJYTXKWCFQL-UHFFFAOYSA-N -1 0 347.459 3.880 20 0 EHADRM Cc1cccc(-c2n[nH]cc2CN=c2[n-]nc(C(C)(C)C)s2)c1 ZINC000539708230 1037094874 /nfs/dbraw/zinc/09/48/74/1037094874.db2.gz GAAYKFQIBQXVDM-UHFFFAOYSA-N -1 0 327.457 3.568 20 0 EHADRM CCCCCc1n[n-]c(=NCc2cnc(-c3ccccn3)s2)s1 ZINC000539709284 1037097035 /nfs/dbraw/zinc/09/70/35/1037097035.db2.gz OCYMCELJTPHTTB-UHFFFAOYSA-N -1 0 345.497 3.823 20 0 EHADRM CC(C)c1ccc([C@H]2C[C@H]2C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cc1 ZINC000542134959 1037110549 /nfs/dbraw/zinc/11/05/49/1037110549.db2.gz LYLBYLHRXBWPSE-XKGFGPFHSA-N -1 0 341.451 3.627 20 0 EHADRM CC(C)[C@H](Oc1ccccc1-c1ccc(C2(CO)CC2)cc1)C(=O)[O-] ZINC000573022063 1037157678 /nfs/dbraw/zinc/15/76/78/1037157678.db2.gz RWZOWKTYVXLJCH-IBGZPJMESA-N -1 0 340.419 3.866 20 0 EHADRM O=S(=O)([N-]c1cnoc1C1CC1)c1cc(Cl)ccc1Cl ZINC000414382046 1037179983 /nfs/dbraw/zinc/17/99/83/1037179983.db2.gz JYSRBYMSIJGZTF-UHFFFAOYSA-N -1 0 333.196 3.660 20 0 EHADRM O=C([O-])CCCCNC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000666562922 1037211277 /nfs/dbraw/zinc/21/12/77/1037211277.db2.gz XMGPCGLGSYGKGN-KSZLIROESA-N -1 0 344.455 3.609 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC000666566156 1037213640 /nfs/dbraw/zinc/21/36/40/1037213640.db2.gz HXHOEGMHFJZCGJ-SFHVURJKSA-N -1 0 338.407 3.740 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)C[C@H](C)c1ccccc1C(F)(F)F ZINC000089288429 1037235258 /nfs/dbraw/zinc/23/52/58/1037235258.db2.gz JOMXQYTVRQYXRZ-JTQLQIEISA-N -1 0 335.347 3.671 20 0 EHADRM CC(C)Oc1cccc([C@@H](C)NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)c1 ZINC000659119260 1037282187 /nfs/dbraw/zinc/28/21/87/1037282187.db2.gz NVMQLOGGPHCGQN-CQSZACIVSA-N -1 0 345.439 3.686 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)c1 ZINC000659126748 1037312832 /nfs/dbraw/zinc/31/28/32/1037312832.db2.gz ONQXEJCFYGQWMQ-NTDBWNAOSA-N -1 0 345.439 3.544 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C3CC3)cc2)c1 ZINC000659126862 1037313037 /nfs/dbraw/zinc/31/30/37/1037313037.db2.gz PVJXVHMVTLPDJV-GOSISDBHSA-N -1 0 339.391 3.518 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)[C@H]2CC[C@H](C3CCC3)CC2)Cc2ccccc21 ZINC000659143439 1037365927 /nfs/dbraw/zinc/36/59/27/1037365927.db2.gz LTBANGQNFRKHPX-BXWFABGCSA-N -1 0 341.451 3.804 20 0 EHADRM C[C@H](CNC(=O)[C@H](c1ccccc1)c1ccc(Cl)cc1)CC(=O)[O-] ZINC000659144963 1037366097 /nfs/dbraw/zinc/36/60/97/1037366097.db2.gz LGESLDZIMXPHML-SCLBCKFNSA-N -1 0 345.826 3.699 20 0 EHADRM O=C([O-])[C@H]1CC[C@@H](NC(=O)Cc2ccc(C3CCCCC3)cc2)C1 ZINC000659145160 1037368915 /nfs/dbraw/zinc/36/89/15/1037368915.db2.gz HQJZKOADWWOXRA-ZWKOTPCHSA-N -1 0 329.440 3.646 20 0 EHADRM CC(C)(C)n1cnc(=NC(=O)N2CCCCC[C@H]2c2ccccc2)[n-]1 ZINC000542436974 1037379063 /nfs/dbraw/zinc/37/90/63/1037379063.db2.gz JQOVBSLQEATHGK-INIZCTEOSA-N -1 0 341.459 3.604 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CC[C@H](c2ccccc2)C1(C)C ZINC000659158451 1037382867 /nfs/dbraw/zinc/38/28/67/1037382867.db2.gz CMAFFBDVKKXWCE-OAHLLOKOSA-N -1 0 327.380 3.695 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)c2cc(Cl)cc3ccccc32)C1 ZINC000659160199 1037383161 /nfs/dbraw/zinc/38/31/61/1037383161.db2.gz GWLZOMKMAGEVHP-SFHVURJKSA-N -1 0 331.799 3.820 20 0 EHADRM C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1c([O-])cc(F)cc1F ZINC000591448525 1037412333 /nfs/dbraw/zinc/41/23/33/1037412333.db2.gz OXAGUEQUADXWTR-VIFPVBQESA-N -1 0 348.374 3.641 20 0 EHADRM CCC1(C)CCN(C(=O)N=c2[n-]nc(Cc3ccccc3)s2)CC1 ZINC000591479941 1037444190 /nfs/dbraw/zinc/44/41/90/1037444190.db2.gz QENBYVAZNVNIPR-UHFFFAOYSA-N -1 0 344.484 3.595 20 0 EHADRM O=C(Cc1cccc(C(F)(F)F)c1)[N-]S(=O)(=O)C1CCCCC1 ZINC000058072494 1037448797 /nfs/dbraw/zinc/44/87/97/1037448797.db2.gz KKOAKSROFQUHOO-UHFFFAOYSA-N -1 0 349.374 3.867 20 0 EHADRM CCCc1ccc(C(=O)Nc2ccn([C@H](CCC)C(=O)[O-])n2)cc1 ZINC000659186639 1037449741 /nfs/dbraw/zinc/44/97/41/1037449741.db2.gz ZEWSWYZAHPHRFH-OAHLLOKOSA-N -1 0 329.400 3.514 20 0 EHADRM Cc1oc(C)c(C(=O)NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)c1C ZINC000659186286 1037451049 /nfs/dbraw/zinc/45/10/49/1037451049.db2.gz XQUMOKIFCBBQLI-MRXNPFEDSA-N -1 0 341.407 3.753 20 0 EHADRM CSc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)cc1 ZINC000659196996 1037454753 /nfs/dbraw/zinc/45/47/53/1037454753.db2.gz ZBCCNDISDCQTOT-OWCLPIDISA-N -1 0 333.453 3.514 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)C[C@@H]2CCc3ccccc32)[C@@H]2CCCC[C@H]12 ZINC000659197160 1037455621 /nfs/dbraw/zinc/45/56/21/1037455621.db2.gz YWQAJRFKKOWRAX-JCHJZTRSSA-N -1 0 341.451 3.598 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCCc2cccs2)[C@H]2CCCC[C@@H]12 ZINC000659192162 1037458608 /nfs/dbraw/zinc/45/86/08/1037458608.db2.gz GBEIJRCPTFGQPM-XHSDSOJGSA-N -1 0 335.469 3.563 20 0 EHADRM O=C([N-][C@@H](c1cccc(Cl)c1)c1ccccn1)C(F)(F)C(F)F ZINC000760835166 1037459027 /nfs/dbraw/zinc/45/90/27/1037459027.db2.gz DVZILNUCUGNKCK-LBPRGKRZSA-N -1 0 346.711 3.841 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc3c(c2)CCCC3)[C@@H]2CCCC[C@@H]12 ZINC000659192751 1037459711 /nfs/dbraw/zinc/45/97/11/1037459711.db2.gz GYXYGIGRIHCGGR-IPMKNSEASA-N -1 0 341.451 3.671 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC000659209701 1037480130 /nfs/dbraw/zinc/48/01/30/1037480130.db2.gz KUYSVHZMEBDJAF-LLVKDONJSA-N -1 0 335.400 3.580 20 0 EHADRM Cc1ccccc1C(F)(F)CNC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000659228964 1037528711 /nfs/dbraw/zinc/52/87/11/1037528711.db2.gz UHFAJHCPUAOQGI-UHFFFAOYSA-N -1 0 347.361 3.534 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)CCc1ccc2ccccc2c1 ZINC000659235065 1037549206 /nfs/dbraw/zinc/54/92/06/1037549206.db2.gz IPOKFVBVVYMYSI-XLIONFOSSA-N -1 0 325.408 3.532 20 0 EHADRM C[C@H](C(=O)N[C@H]1CCC[C@]1(C)C(=O)[O-])c1c(Cl)cccc1Cl ZINC000659236759 1037550769 /nfs/dbraw/zinc/55/07/69/1037550769.db2.gz HRMCJDLSKRMPGB-HCYDYPBKSA-N -1 0 344.238 3.857 20 0 EHADRM Cc1cccc2sc(C(=O)N(C)[C@H]3C[C@@H](C(=O)[O-])C3)c(Cl)c21 ZINC000659230737 1037554431 /nfs/dbraw/zinc/55/44/31/1037554431.db2.gz DAVMQJQCLIXRCM-AOOOYVTPSA-N -1 0 337.828 3.798 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N[C@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000659239438 1037559671 /nfs/dbraw/zinc/55/96/71/1037559671.db2.gz LPEOFERAELZWIN-SUMWQHHRSA-N -1 0 335.400 3.722 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)N[C@H]1CCC[C@]1(C)C(=O)[O-] ZINC000659240159 1037559985 /nfs/dbraw/zinc/55/99/85/1037559985.db2.gz QFXGIXQQOBVPOA-KSSFIOAISA-N -1 0 337.847 3.668 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H](CC)Nc2ccccc2)c1 ZINC000462922354 1037560392 /nfs/dbraw/zinc/56/03/92/1037560392.db2.gz HQAMSXXUVXDKCH-HNNXBMFYSA-N -1 0 326.396 3.814 20 0 EHADRM Cc1ncc(S(=O)(=O)[N-]c2cc(Cl)c(F)c(Cl)c2)s1 ZINC000491571344 1037565242 /nfs/dbraw/zinc/56/52/42/1037565242.db2.gz CJHIQDGVPAYRHA-UHFFFAOYSA-N -1 0 341.216 3.698 20 0 EHADRM CCc1c([N-]S(=O)(=O)c2cc(C)ccc2C)cnn1CCC(C)C ZINC000491593753 1037572814 /nfs/dbraw/zinc/57/28/14/1037572814.db2.gz JCXLGAAUMTTYTG-UHFFFAOYSA-N -1 0 349.500 3.909 20 0 EHADRM Cc1ccc(-c2ccncc2)cc1[N-]S(=O)(=O)c1ccccc1F ZINC000101850561 1037576493 /nfs/dbraw/zinc/57/64/93/1037576493.db2.gz MAVMDCFBSIXUSP-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM CCO[C@@H]1C[C@@H](N=c2[n-]nc(-c3ccccc3)s2)C12CCCC2 ZINC000463026034 1037656378 /nfs/dbraw/zinc/65/63/78/1037656378.db2.gz UVLMDAUGJCZBNZ-HUUCEWRRSA-N -1 0 329.469 3.777 20 0 EHADRM Cc1ccnc(NC(=O)c2cc(Br)cc(Cl)c2[O-])c1 ZINC000303823698 1037764426 /nfs/dbraw/zinc/76/44/26/1037764426.db2.gz GCIMMAWQYZTCBI-UHFFFAOYSA-N -1 0 341.592 3.764 20 0 EHADRM C[C@@H]1C[C@H](C)CN(C(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000303851813 1037794231 /nfs/dbraw/zinc/79/42/31/1037794231.db2.gz KWOIBYBLLCXALF-DTORHVGOSA-N -1 0 346.652 3.926 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N=c3[n-]nc(C(F)F)s3)o2)cc1 ZINC000463152762 1037822057 /nfs/dbraw/zinc/82/20/57/1037822057.db2.gz SZFCCMLLFQPCFI-UHFFFAOYSA-N -1 0 349.362 3.972 20 0 EHADRM CC(=C([O-])c1cc(F)ccc1F)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000492064414 1037929084 /nfs/dbraw/zinc/92/90/84/1037929084.db2.gz QJYZYZRSBTWASB-GFCCVEGCSA-N -1 0 338.375 3.627 20 0 EHADRM COc1ccc(CN=c2[n-]nc(-c3ccc(C)s3)o2)cc1Cl ZINC000463251532 1037950772 /nfs/dbraw/zinc/95/07/72/1037950772.db2.gz UQPQAFVMNTXFHW-UHFFFAOYSA-N -1 0 335.816 3.803 20 0 EHADRM O=C(NCCCc1c[nH]c2ccccc12)c1cc(F)c(F)c([O-])c1F ZINC000183586098 1037956891 /nfs/dbraw/zinc/95/68/91/1037956891.db2.gz BAFQETMPKDFXNX-UHFFFAOYSA-N -1 0 348.324 3.653 20 0 EHADRM Cc1c(=O)[nH]c(SCC[C@H]2CCCC2=O)nc1-c1ccccc1 ZINC000163898404 1038002082 /nfs/dbraw/zinc/00/20/82/1038002082.db2.gz QGDYRXKXZPZUOK-CYBMUJFWSA-N -1 0 328.437 3.597 20 0 EHADRM CC(C)C[C@@H](C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000659146317 1038187615 /nfs/dbraw/zinc/18/76/15/1038187615.db2.gz QVMJMOLONSHOQY-VNQPRFMTSA-N -1 0 337.847 3.839 20 0 EHADRM CCC(CC)(CC(=O)NCCc1ccc(Cl)c(C)c1)C(=O)[O-] ZINC000460849540 1038230811 /nfs/dbraw/zinc/23/08/11/1038230811.db2.gz VOGNBTJBFKTCGN-UHFFFAOYSA-N -1 0 325.836 3.588 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(F)cc(Br)c2[O-])C(C)(C)C1 ZINC000416171698 1038270265 /nfs/dbraw/zinc/27/02/65/1038270265.db2.gz RPPWODMCARELHV-MRVPVSSYSA-N -1 0 330.197 3.554 20 0 EHADRM CCn1c(C)cc(C([O-])=C[S@](=O)Cc2cc(C)ccc2OC)c1C ZINC000125274055 1038299346 /nfs/dbraw/zinc/29/93/46/1038299346.db2.gz XAZZRBDOGPXLEG-DEOSSOPVSA-N -1 0 347.480 3.573 20 0 EHADRM COc1ccc2cc(CN=c3[n-]nc(CCC(C)C)o3)ccc2c1 ZINC000538507192 1038347732 /nfs/dbraw/zinc/34/77/32/1038347732.db2.gz MRNRBZCGLWIPPO-UHFFFAOYSA-N -1 0 325.412 3.854 20 0 EHADRM C[C@@H]1CC[C@@H](N(C)C(=O)c2cc(F)cc(Br)c2[O-])C1 ZINC000416225767 1038377035 /nfs/dbraw/zinc/37/70/35/1038377035.db2.gz TVHYNLFOIFQZLA-PSASIEDQSA-N -1 0 330.197 3.554 20 0 EHADRM CN(C(=O)CCc1ccccc1C(=O)[O-])[C@H]1CCCc2ccccc21 ZINC000538575881 1038399366 /nfs/dbraw/zinc/39/93/66/1038399366.db2.gz PTMXQAKLPPQOKE-IBGZPJMESA-N -1 0 337.419 3.853 20 0 EHADRM COCc1ccc(CN=c2[n-]nc(C[C@@H](C)CC(C)(C)C)o2)cc1 ZINC000538592530 1038421640 /nfs/dbraw/zinc/42/16/40/1038421640.db2.gz FKAZXURBQJOKIH-CQSZACIVSA-N -1 0 331.460 3.865 20 0 EHADRM Cc1ccc(-c2[n-][nH]c(=NC(=O)c3cc(C)n(C4CC4)c3C)c2C)o1 ZINC000416253805 1038428548 /nfs/dbraw/zinc/42/85/48/1038428548.db2.gz SQDDCXBTKSNRQG-UHFFFAOYSA-N -1 0 338.411 3.714 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000024576900 1038547726 /nfs/dbraw/zinc/54/77/26/1038547726.db2.gz DZDLKKYNYYIJIH-UHFFFAOYSA-N -1 0 333.428 3.966 20 0 EHADRM Cc1csc([C@@H](C)C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000182164551 1038553530 /nfs/dbraw/zinc/55/35/30/1038553530.db2.gz AWKLZUATMLROTP-IYRRMDOYSA-N -1 0 339.804 3.941 20 0 EHADRM CCCc1nc(=NCc2cccc(NC(=O)C3CCCC3)c2)s[n-]1 ZINC000461774437 1038604140 /nfs/dbraw/zinc/60/41/40/1038604140.db2.gz KVFMAICOZXQLEK-UHFFFAOYSA-N -1 0 344.484 3.653 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccsc2)s1)N[C@@H]1CC12CCCCC2 ZINC000538946225 1038609283 /nfs/dbraw/zinc/60/92/83/1038609283.db2.gz MUZNYWRHAGLZDD-LLVKDONJSA-N -1 0 334.470 3.533 20 0 EHADRM CCCc1nc(=Nc2ccc(NC(=O)CC(F)(F)F)cc2)s[n-]1 ZINC000461962726 1038698453 /nfs/dbraw/zinc/69/84/53/1038698453.db2.gz PWKOXEPANRCPIW-UHFFFAOYSA-N -1 0 344.362 3.547 20 0 EHADRM Fc1ccc(F)c2c1OCC[C@H]2N=c1nc(-c2ccccc2)[n-]s1 ZINC000461982446 1038703246 /nfs/dbraw/zinc/70/32/46/1038703246.db2.gz HADZRGBXLLRFAW-CYBMUJFWSA-N -1 0 345.374 3.841 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N[C@H](C)c2ccncc2CC)s1 ZINC000539184583 1038723071 /nfs/dbraw/zinc/72/30/71/1038723071.db2.gz VVCWMHLGKZEXCL-GFCCVEGCSA-N -1 0 347.488 3.533 20 0 EHADRM O=S(=O)([N-]CCCCF)c1c(Cl)cc(Cl)cc1Cl ZINC000462114907 1038760520 /nfs/dbraw/zinc/76/05/20/1038760520.db2.gz ZCGOTFQALNSJRG-UHFFFAOYSA-N -1 0 334.627 3.675 20 0 EHADRM Cc1cc2scc(CC(=O)N[C@](C)(CC(=O)[O-])C3CC3)c2s1 ZINC000910320088 1038822997 /nfs/dbraw/zinc/82/29/97/1038822997.db2.gz WEKBGJZORYPSCS-MRXNPFEDSA-N -1 0 337.466 3.573 20 0 EHADRM CC[C@@H](C[N-]S(=O)(=O)c1sccc1Cl)CC(F)(F)F ZINC000416598402 1038834349 /nfs/dbraw/zinc/83/43/49/1038834349.db2.gz OXWSSCOPPNTGDE-SSDOTTSWSA-N -1 0 335.800 3.658 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3CCC[C@@](F)(c4ccccc4)C3)(CC1)C2 ZINC000910338036 1038836971 /nfs/dbraw/zinc/83/69/71/1038836971.db2.gz QSEHGNYWFIEIBG-MHJFOBGBSA-N -1 0 345.414 3.509 20 0 EHADRM O=C([O-])[C@H](NCc1csc(C2CCCC2)n1)c1ccccc1F ZINC000905377819 1038851820 /nfs/dbraw/zinc/85/18/20/1038851820.db2.gz XKYOAGSVLMQPBR-OAHLLOKOSA-N -1 0 334.416 3.855 20 0 EHADRM Cc1ccc(CCC(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)s1 ZINC000910366461 1038863805 /nfs/dbraw/zinc/86/38/05/1038863805.db2.gz CUXOYTIKMDYOGJ-CYBMUJFWSA-N -1 0 329.421 3.594 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)N[C@@H](CC(=O)[O-])C1CCCCC1 ZINC000554086744 1038898366 /nfs/dbraw/zinc/89/83/66/1038898366.db2.gz NIJXLALERLWWSX-GUYCJALGSA-N -1 0 335.419 3.544 20 0 EHADRM CC1(C)[C@H](c2ccccc2Cl)CCN1C(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000910411839 1038898727 /nfs/dbraw/zinc/89/87/27/1038898727.db2.gz JSDUDAPOPDHWQH-DYEKYZERSA-N -1 0 335.831 3.545 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)C1(C)C ZINC000910410941 1038898952 /nfs/dbraw/zinc/89/89/52/1038898952.db2.gz BJLYDXYCTWUFKC-YPMHNXCESA-N -1 0 339.382 3.560 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000910472547 1038930928 /nfs/dbraw/zinc/93/09/28/1038930928.db2.gz SSORBPRMMYZGIB-JEBQAFNWSA-N -1 0 345.439 3.544 20 0 EHADRM CCCCCOc1ccc(S(=O)(=O)[N-]c2cncc(F)c2)cc1 ZINC000500547947 1038960213 /nfs/dbraw/zinc/96/02/13/1038960213.db2.gz SHHAKOCSHYWCIF-UHFFFAOYSA-N -1 0 338.404 3.591 20 0 EHADRM Cn1ncc(Cl)c1S(=O)(=O)[N-]c1ccccc1-c1ccccc1 ZINC000485387072 1038988947 /nfs/dbraw/zinc/98/89/47/1038988947.db2.gz GAWLIQWDHISNOX-UHFFFAOYSA-N -1 0 347.827 3.541 20 0 EHADRM O=C([O-])c1cccc(Cc2cnc(NC(=O)C3(C4CC4)CC3)s2)c1 ZINC000910633530 1038996368 /nfs/dbraw/zinc/99/63/68/1038996368.db2.gz VFEZCTYQCLSMOF-UHFFFAOYSA-N -1 0 342.420 3.561 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CC2(CCC2)[C@H]1c1cccnc1 ZINC000898408804 1038998849 /nfs/dbraw/zinc/99/88/49/1038998849.db2.gz BXAKUMZIPLDUGM-MRXNPFEDSA-N -1 0 346.789 3.947 20 0 EHADRM O=C([O-])c1nc(C(=O)Nc2ncc(C3CCCCC3)s2)cs1 ZINC000910649598 1039003957 /nfs/dbraw/zinc/00/39/57/1039003957.db2.gz CABZZNDTKWKANN-UHFFFAOYSA-N -1 0 337.426 3.598 20 0 EHADRM Cc1cc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)nn1C1CCCCC1 ZINC000910659808 1039008780 /nfs/dbraw/zinc/00/87/80/1039008780.db2.gz BOKOEJMSJWKGPP-KBPBESRZSA-N -1 0 333.432 3.526 20 0 EHADRM CC(=O)c1ccc(O)c(CCOC(=O)c2ccsc2C(F)F)c1 ZINC000924251563 1039019650 /nfs/dbraw/zinc/01/96/50/1039019650.db2.gz WXBNTDRVDKQHGG-UHFFFAOYSA-N -1 0 340.347 3.993 20 0 EHADRM CCOc1cccc(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)c1 ZINC000910700305 1039028400 /nfs/dbraw/zinc/02/84/00/1039028400.db2.gz XLWRGVQEHDZTDQ-UHFFFAOYSA-N -1 0 334.397 3.616 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1cc(C)n(-c2ccccc2)n1 ZINC000488277167 1039053210 /nfs/dbraw/zinc/05/32/10/1039053210.db2.gz JTLBUSIFBPWLGI-UHFFFAOYSA-N -1 0 341.436 3.544 20 0 EHADRM Cc1c(NCc2ccc(C(=O)[O-])cn2)cccc1OCC(F)(F)F ZINC000905723241 1039061827 /nfs/dbraw/zinc/06/18/27/1039061827.db2.gz BNPLRUJBZXXSOX-UHFFFAOYSA-N -1 0 340.301 3.641 20 0 EHADRM COc1cccc(C2(CN=c3nc([C@H](C)OC)[n-]s3)CCCC2)c1 ZINC000509749675 1039119240 /nfs/dbraw/zinc/11/92/40/1039119240.db2.gz FCUQTMQRKFLZLQ-ZDUSSCGKSA-N -1 0 347.484 3.600 20 0 EHADRM CC1(C)[C@@H](c2ccc(Cl)cc2)CCN1C(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000910935954 1039142859 /nfs/dbraw/zinc/14/28/59/1039142859.db2.gz PCLDRSHNMJOEGZ-QLFBSQMISA-N -1 0 335.831 3.545 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1SCCc2sccc21 ZINC000910959524 1039160802 /nfs/dbraw/zinc/16/08/02/1039160802.db2.gz DJOQPZVXMPQFIG-HNNXBMFYSA-N -1 0 347.461 3.978 20 0 EHADRM CSc1ccc(NC(=O)C2(C(F)(F)F)CCC2)cc1C(=O)[O-] ZINC000910948292 1039170070 /nfs/dbraw/zinc/17/00/70/1039170070.db2.gz XEORBHGJNKSBJG-UHFFFAOYSA-N -1 0 333.331 3.778 20 0 EHADRM CCN(C(=O)[C@H]1SCCc2sccc21)c1cccc(C(=O)[O-])c1 ZINC000910971873 1039173784 /nfs/dbraw/zinc/17/37/84/1039173784.db2.gz SZLDCQPBANRKJY-HNNXBMFYSA-N -1 0 347.461 3.830 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)CC1 ZINC000911019267 1039186496 /nfs/dbraw/zinc/18/64/96/1039186496.db2.gz NXCABWJHNXLHHK-ZDUSSCGKSA-N -1 0 349.393 3.849 20 0 EHADRM C[C@@H]1C[C@H](N=c2[n-]c(C(F)(F)F)c(Br)s2)CS1 ZINC000418972389 1039191247 /nfs/dbraw/zinc/19/12/47/1039191247.db2.gz NPNKEYUVPXLDQK-UHNVWZDZSA-N -1 0 347.225 3.652 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)c1 ZINC000911082252 1039213871 /nfs/dbraw/zinc/21/38/71/1039213871.db2.gz JNBOEKUCQGDWSA-UHFFFAOYSA-N -1 0 345.439 3.975 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCC[C@@]1(C)Cc1cc(Cl)cs1 ZINC000911061568 1039219907 /nfs/dbraw/zinc/21/99/07/1039219907.db2.gz JUFXUOSBGOEANA-ZBEGNZNMSA-N -1 0 343.876 3.826 20 0 EHADRM Clc1ccccc1-c1n[n-]c(=N[C@@H]2CCOC3(CCC3)C2)s1 ZINC000545474390 1039249617 /nfs/dbraw/zinc/24/96/17/1039249617.db2.gz WIANHDDNTOSOCJ-LLVKDONJSA-N -1 0 335.860 3.794 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)Nc1ccc(N(C)C(C)C)c(F)c1 ZINC000911228970 1039303001 /nfs/dbraw/zinc/30/30/01/1039303001.db2.gz WJLWYBSUJOANAJ-UHFFFAOYSA-N -1 0 334.347 3.522 20 0 EHADRM CC[C@H](C(=O)N[C@H](C)CCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000237085519 1039306350 /nfs/dbraw/zinc/30/63/50/1039306350.db2.gz JQQFJMMOYVAFKI-MFKMUULPSA-N -1 0 331.334 3.569 20 0 EHADRM Cc1cc(NC(=O)COc2ccc(Cl)cc2)cc(C(=O)[O-])c1C ZINC000390032470 1039323042 /nfs/dbraw/zinc/32/30/42/1039323042.db2.gz YXCJAPXEWXBPMZ-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM Cc1c[nH]c(-c2ccccc2NC(=O)CC2CCC(C(=O)[O-])CC2)n1 ZINC000911391709 1039342071 /nfs/dbraw/zinc/34/20/71/1039342071.db2.gz KMXFGHXCVGXFPR-UHFFFAOYSA-N -1 0 341.411 3.605 20 0 EHADRM C[C@H]1C[C@H](c2cccnc2)N(C(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000911391608 1039342490 /nfs/dbraw/zinc/34/24/90/1039342490.db2.gz WOFCSXQEUQIUQN-MEDUHNTESA-N -1 0 344.798 3.657 20 0 EHADRM C[C@H](CC(=O)N(CCC(=O)[O-])C1CC1)c1ccccc1C(F)(F)F ZINC000237512281 1039347118 /nfs/dbraw/zinc/34/71/18/1039347118.db2.gz BUYCCVOFYYJYPK-LLVKDONJSA-N -1 0 343.345 3.665 20 0 EHADRM Cc1nc(C)c([C@H](C)N(C)C(=O)/C=C/c2ccc(C(=O)[O-])cc2)s1 ZINC000237601557 1039396591 /nfs/dbraw/zinc/39/65/91/1039396591.db2.gz VBMOFMODFQFSKV-PMDBQALLSA-N -1 0 344.436 3.691 20 0 EHADRM CCOc1ccc(C2=CCN(C(=O)C(C)(C)CCC(=O)[O-])CC2)cc1 ZINC000911551758 1039408372 /nfs/dbraw/zinc/40/83/72/1039408372.db2.gz TVDNZHOWHLYVKF-UHFFFAOYSA-N -1 0 345.439 3.592 20 0 EHADRM O=C([O-])c1cc(-c2cc(F)ccc2OC[C@H]2CCCCO2)ccn1 ZINC000906241270 1039425641 /nfs/dbraw/zinc/42/56/41/1039425641.db2.gz SMQJEXXHFIGOIT-CQSZACIVSA-N -1 0 331.343 3.534 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)Nc1cc(C(=O)[O-])c(C)cc1F ZINC000911681091 1039455589 /nfs/dbraw/zinc/45/55/89/1039455589.db2.gz INWLQGGGTXPMSG-LBPRGKRZSA-N -1 0 345.370 3.973 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCC(c2ccnc3ccccc32)CC1 ZINC000911756553 1039506384 /nfs/dbraw/zinc/50/63/84/1039506384.db2.gz WLNISYFAPZNFMS-UHFFFAOYSA-N -1 0 340.423 3.586 20 0 EHADRM CCC[C@H](C)CS(=O)(=O)Nc1cc(C(=O)[O-])c(Cl)cc1C ZINC000584704697 1039573840 /nfs/dbraw/zinc/57/38/40/1039573840.db2.gz WTVFCSRUIYTLTF-VIFPVBQESA-N -1 0 333.837 3.525 20 0 EHADRM O=S(=O)([N-][C@@H](C1CC1)C(F)(F)F)c1cc(Cl)ccc1Cl ZINC000554708030 1039617167 /nfs/dbraw/zinc/61/71/67/1039617167.db2.gz WIQXMGCJKCROHZ-JTQLQIEISA-N -1 0 348.173 3.613 20 0 EHADRM CCCC[C@@H](Sc1nc(-c2ccccn2)nc(C)c1C)C(=O)[O-] ZINC000584732612 1039645561 /nfs/dbraw/zinc/64/55/61/1039645561.db2.gz QJCVDRQRSQVXMK-CQSZACIVSA-N -1 0 331.441 3.891 20 0 EHADRM CC(C)C[C@@H]1C[C@@H](N=c2[n-]nc(Cc3ccccc3)s2)CCO1 ZINC000554734709 1039650430 /nfs/dbraw/zinc/65/04/30/1039650430.db2.gz LTQAGEPMRGMYKO-JKSUJKDBSA-N -1 0 331.485 3.556 20 0 EHADRM COc1cccc([C@@H](C)C(=O)N=c2cc(-c3ccc(C)s3)[nH][nH]2)c1 ZINC000500862347 1039701733 /nfs/dbraw/zinc/70/17/33/1039701733.db2.gz VVACUDFNEMSOHZ-GFCCVEGCSA-N -1 0 341.436 3.619 20 0 EHADRM Cc1cccc2c(CC(=O)Nc3cc(C)c(C)c(C(=O)[O-])c3)c[nH]c21 ZINC000485940589 1039704907 /nfs/dbraw/zinc/70/49/07/1039704907.db2.gz LXBTZRPJLKZDAQ-UHFFFAOYSA-N -1 0 336.391 3.973 20 0 EHADRM Cc1cc(NC(=O)[C@H]2SCCc3ccccc32)cc(C(=O)[O-])c1C ZINC000485959362 1039722805 /nfs/dbraw/zinc/72/28/05/1039722805.db2.gz SEMMCSFQHPXXLZ-KRWDZBQOSA-N -1 0 341.432 3.971 20 0 EHADRM C[C@H](CC(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F)C(C)(C)C ZINC000486035338 1039786845 /nfs/dbraw/zinc/78/68/45/1039786845.db2.gz NOXCNALPAYDYNB-GFCCVEGCSA-N -1 0 341.398 3.840 20 0 EHADRM Cc1cc(O)c2nc(/C=C/c3cccc(OCC(=O)[O-])c3)ccc2c1 ZINC000478912044 1039807176 /nfs/dbraw/zinc/80/71/76/1039807176.db2.gz OPCBRDGEFAQTMK-FNORWQNLSA-N -1 0 335.359 3.883 20 0 EHADRM C[C@@H](N=c1nc(C(F)(F)F)[n-]s1)c1cccc(OC(F)F)c1 ZINC000553279970 1039933909 /nfs/dbraw/zinc/93/39/09/1039933909.db2.gz MWYVWPLCZAFHCK-ZCFIWIBFSA-N -1 0 339.289 3.753 20 0 EHADRM CC(C)c1cnc(CN[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])s1 ZINC000417558328 1040001326 /nfs/dbraw/zinc/00/13/26/1040001326.db2.gz UTKKNSBAMUPANE-HNNXBMFYSA-N -1 0 343.452 3.533 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])[NH2+]Cc2sccc2Cl)c1 ZINC000417583720 1040032244 /nfs/dbraw/zinc/03/22/44/1040032244.db2.gz MJUMXNKHJJADMJ-ZDUSSCGKSA-N -1 0 325.817 3.716 20 0 EHADRM CC(C)C[C@H](CNC(=O)C(C)(C)CCCc1ccccc1)C(=O)[O-] ZINC000486293868 1040036466 /nfs/dbraw/zinc/03/64/66/1040036466.db2.gz MZFXUJOOEDWLQD-QGZVFWFLSA-N -1 0 333.472 3.899 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000486275083 1040043448 /nfs/dbraw/zinc/04/34/48/1040043448.db2.gz YHBDQSLMOTTWCS-CMPLNLGQSA-N -1 0 346.254 3.960 20 0 EHADRM COCc1ccc(CN[C@]2(C(=O)[O-])CCC(C)(C)c3ccccc32)o1 ZINC000417594307 1040049865 /nfs/dbraw/zinc/04/98/65/1040049865.db2.gz WJOQTZRXDRMWQY-HXUWFJFHSA-N -1 0 343.423 3.567 20 0 EHADRM O=S(=O)([N-]c1ccnc(-c2ccccc2)c1)c1ccc(F)cc1F ZINC000479239059 1040058958 /nfs/dbraw/zinc/05/89/58/1040058958.db2.gz DYSXNXHSUDHXOF-UHFFFAOYSA-N -1 0 346.358 3.828 20 0 EHADRM CC[C@@H](Cc1ccc(NCc2ccc([S@](C)=O)cc2)cc1)C(=O)[O-] ZINC000417610215 1040062769 /nfs/dbraw/zinc/06/27/69/1040062769.db2.gz MVHUEDZHAFYUJT-FYSMJZIKSA-N -1 0 345.464 3.689 20 0 EHADRM O=C([O-])CSCC[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000417618446 1040071279 /nfs/dbraw/zinc/07/12/79/1040071279.db2.gz JJZJKJDTGYJJAP-UHFFFAOYSA-N -1 0 325.817 3.507 20 0 EHADRM CC[C@H](Cc1ccc(NCc2cccc(OC)c2OC)cc1)C(=O)[O-] ZINC000417611926 1040078715 /nfs/dbraw/zinc/07/87/15/1040078715.db2.gz QELAECXPJLTYDK-OAHLLOKOSA-N -1 0 343.423 3.969 20 0 EHADRM CC(C)(C)Cc1ccccc1C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000907543987 1040088848 /nfs/dbraw/zinc/08/88/48/1040088848.db2.gz WDYLSALUTIXBEC-UHFFFAOYSA-N -1 0 332.425 3.611 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NCc2cccc3c2OCCCO3)cc1 ZINC000417631138 1040094395 /nfs/dbraw/zinc/09/43/95/1040094395.db2.gz VCBUNOXRPWIVPG-UHFFFAOYSA-N -1 0 341.407 3.822 20 0 EHADRM C[C@H](Cc1ccncc1)N=c1[n-]nc(Cc2ccc(Cl)cc2)s1 ZINC000489609565 1040103560 /nfs/dbraw/zinc/10/35/60/1040103560.db2.gz SATNMDZWNDKUTM-GFCCVEGCSA-N -1 0 344.871 3.642 20 0 EHADRM CCC(=C([O-])c1ccccc1)S(=O)(=O)c1cc(F)c(C)cc1F ZINC000555085753 1040142007 /nfs/dbraw/zinc/14/20/07/1040142007.db2.gz XKQAPZIQWJBPOX-OAHLLOKOSA-N -1 0 338.375 3.708 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(Cl)c3occc32)[C@@H]2CCC[C@H]21 ZINC000907735188 1040149536 /nfs/dbraw/zinc/14/95/36/1040149536.db2.gz GMKJIZAWYJGJNA-PSOPSSQASA-N -1 0 347.798 3.802 20 0 EHADRM Cc1oc(C(C)(C)C)cc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC000907735507 1040152125 /nfs/dbraw/zinc/15/21/25/1040152125.db2.gz KIFMTWKNEPQJCK-KCQAQPDRSA-N -1 0 333.428 3.601 20 0 EHADRM CC(C)Cc1ncc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)s1 ZINC000907750741 1040154398 /nfs/dbraw/zinc/15/43/98/1040154398.db2.gz TYEUIKKSCWELKG-GFCCVEGCSA-N -1 0 344.436 3.560 20 0 EHADRM COc1ccc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)c(Cl)c1 ZINC000417698198 1040172412 /nfs/dbraw/zinc/17/24/12/1040172412.db2.gz FWPSLYJDFWKXTC-UHFFFAOYSA-N -1 0 346.814 3.609 20 0 EHADRM CCC(CC)(CC(=O)N1CCC[C@H]1c1ccc(OC)cc1)C(=O)[O-] ZINC000391933255 1040182193 /nfs/dbraw/zinc/18/21/93/1040182193.db2.gz IRQFFAOMZVWVDV-INIZCTEOSA-N -1 0 333.428 3.640 20 0 EHADRM CC(C)C[C@@](C)(CNC(=O)c1cc(C2CC2)oc1C1CC1)C(=O)[O-] ZINC000907853231 1040200499 /nfs/dbraw/zinc/20/04/99/1040200499.db2.gz HIKQXJWFNDVWBX-IBGZPJMESA-N -1 0 333.428 3.901 20 0 EHADRM CC[C@@H]1CCC[C@]1(C)C(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)ccc1C ZINC000907958356 1040247469 /nfs/dbraw/zinc/24/74/69/1040247469.db2.gz UYCFCSQMARTTJC-ACJLOTCBSA-N -1 0 328.416 3.641 20 0 EHADRM CN(C(=O)C1CCC(C(F)(F)F)CC1)c1cccc(CC(=O)[O-])c1 ZINC000908084868 1040280341 /nfs/dbraw/zinc/28/03/41/1040280341.db2.gz KTEUPWSCURRYGK-UHFFFAOYSA-N -1 0 343.345 3.645 20 0 EHADRM CN(C(=O)c1cnc(CC(C)(C)C)s1)c1cccc(CC(=O)[O-])c1 ZINC000908090581 1040282578 /nfs/dbraw/zinc/28/25/78/1040282578.db2.gz YOOQBGHYUQNCEH-UHFFFAOYSA-N -1 0 346.452 3.635 20 0 EHADRM C[C@@H](CCC(=O)N(C)c1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC000908078720 1040289544 /nfs/dbraw/zinc/28/95/44/1040289544.db2.gz AVUHDVLHWFPBJP-HNNXBMFYSA-N -1 0 325.408 3.860 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(-c2ccc[nH]2)cc1 ZINC000479505221 1040314075 /nfs/dbraw/zinc/31/40/75/1040314075.db2.gz VJBZHXJSLHUANH-UHFFFAOYSA-N -1 0 330.384 3.930 20 0 EHADRM COc1cccc(CCC(=O)Nc2cc(Cl)c([O-])cc2F)c1F ZINC000553681571 1040318071 /nfs/dbraw/zinc/31/80/71/1040318071.db2.gz SRWIYVUNBJKOKX-UHFFFAOYSA-N -1 0 341.741 3.904 20 0 EHADRM COc1cc(NC(=O)NC(C)(C)CCC(=O)[O-])cc2ccccc21 ZINC000899316067 1040319714 /nfs/dbraw/zinc/31/97/14/1040319714.db2.gz CRDSWNLFYYHTLB-UHFFFAOYSA-N -1 0 330.384 3.613 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)s1 ZINC000167721268 1040337195 /nfs/dbraw/zinc/33/71/95/1040337195.db2.gz RRLMIQDFTCLGHX-UHFFFAOYSA-N -1 0 335.809 3.609 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(Cc2ccc(Br)cc2F)C1 ZINC000043585453 1040370024 /nfs/dbraw/zinc/37/00/24/1040370024.db2.gz GUJLGSMROBBHLZ-NSHDSACASA-N -1 0 344.224 3.665 20 0 EHADRM O=C(C[C@@H]1C=CCCC1)N=c1nc(Cc2ccc(F)cc2F)[n-]s1 ZINC000490204143 1040387651 /nfs/dbraw/zinc/38/76/51/1040387651.db2.gz QHJGVJMODMRADB-LLVKDONJSA-N -1 0 349.406 3.514 20 0 EHADRM C[C@@H]1CCC[C@H](CNC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)[C@@H]1C ZINC000479564680 1040387833 /nfs/dbraw/zinc/38/78/33/1040387833.db2.gz GRWKXDIVNWYXIR-NLDJYOPPSA-N -1 0 331.456 3.608 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@@H]2CC[C@H](CC(=O)[O-])C2)c1 ZINC000908366065 1040415497 /nfs/dbraw/zinc/41/54/97/1040415497.db2.gz IBXWDVLQSQODGA-HRCADAONSA-N -1 0 347.455 3.645 20 0 EHADRM Cc1cc2scc(CC(=O)N[C@@H]3CC[C@H](CC(=O)[O-])C3)c2s1 ZINC000908379649 1040422821 /nfs/dbraw/zinc/42/28/21/1040422821.db2.gz XAPSENTUCVWKSP-CMPLNLGQSA-N -1 0 337.466 3.573 20 0 EHADRM COc1c(NC(=O)CCCc2ccc(C)s2)cccc1C(=O)[O-] ZINC000908508939 1040497611 /nfs/dbraw/zinc/49/76/11/1040497611.db2.gz YERLKUSIJWTUBD-UHFFFAOYSA-N -1 0 333.409 3.725 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)NCc1coc2ccccc12 ZINC000433034550 1040534154 /nfs/dbraw/zinc/53/41/54/1040534154.db2.gz ILLJSMOASOVGJQ-UHFFFAOYSA-N -1 0 344.374 3.633 20 0 EHADRM COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)c1ccoc1C ZINC000128313923 1040539265 /nfs/dbraw/zinc/53/92/65/1040539265.db2.gz JHUNKCFZKBFILY-GFCCVEGCSA-N -1 0 346.770 3.520 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N[C@H](c2ccccc2C)C2CC2)s1 ZINC000490403662 1040545973 /nfs/dbraw/zinc/54/59/73/1040545973.db2.gz SJSQCBQLCLPVIE-ZDUSSCGKSA-N -1 0 348.497 3.653 20 0 EHADRM CCSc1n[n-]c(=NCc2cc(Br)cs2)s1 ZINC000390402280 1040548734 /nfs/dbraw/zinc/54/87/34/1040548734.db2.gz AGXWAYPJVSHEKQ-UHFFFAOYSA-N -1 0 336.305 3.508 20 0 EHADRM CCCc1cc(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)ccc1Cl ZINC000908650832 1040554452 /nfs/dbraw/zinc/55/44/52/1040554452.db2.gz SBPPJXPXSWQIAW-AWEZNQCLSA-N -1 0 335.831 3.619 20 0 EHADRM CCSc1n[n-]c(=NC(=O)NCc2cccc(C(C)C)c2)s1 ZINC000479709074 1040554473 /nfs/dbraw/zinc/55/44/73/1040554473.db2.gz VVHZJRTXWHAZDR-UHFFFAOYSA-N -1 0 336.486 3.517 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000042232242 1040561770 /nfs/dbraw/zinc/56/17/70/1040561770.db2.gz AMQUODVQXXKYKI-UHFFFAOYSA-N -1 0 333.340 3.574 20 0 EHADRM O=C([O-])[C@H]1CC12CCN(C(=O)CCCc1ccc(C3CC3)cc1)CC2 ZINC000908661793 1040564507 /nfs/dbraw/zinc/56/45/07/1040564507.db2.gz VRMTXUZELOKTHA-GOSISDBHSA-N -1 0 341.451 3.600 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC000908771678 1040644120 /nfs/dbraw/zinc/64/41/20/1040644120.db2.gz HXRBEWWINYVGNG-MDAWKPQNSA-N -1 0 331.412 3.758 20 0 EHADRM C[C@H](c1ccc(C(=O)N(CCC(=O)[O-])CC2CC2)cc1)C(F)(F)F ZINC000908875795 1040698879 /nfs/dbraw/zinc/69/88/79/1040698879.db2.gz IMTYWCBRGZCFSL-LLVKDONJSA-N -1 0 343.345 3.679 20 0 EHADRM Oc1cccc(Cl)c1CNCc1nnc(-c2ccccc2)s1 ZINC000151245892 1040706692 /nfs/dbraw/zinc/70/66/92/1040706692.db2.gz NTLSIGLMTXXERV-UHFFFAOYSA-N -1 0 331.828 3.854 20 0 EHADRM Cc1ccc(CCC(=O)N[C@H](CCC(=O)[O-])c2ccccc2)s1 ZINC000908936914 1040714866 /nfs/dbraw/zinc/71/48/66/1040714866.db2.gz CSWHPGRROQPWLW-MRXNPFEDSA-N -1 0 331.437 3.711 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N[N-]C(=O)c2c(F)cccc2Cl)cc1 ZINC000029706875 1040859350 /nfs/dbraw/zinc/85/93/50/1040859350.db2.gz STMZGAUJYDVLAL-UHFFFAOYSA-N -1 0 348.805 3.851 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1c(C)c(F)ccc1Cl ZINC000433134565 1040869293 /nfs/dbraw/zinc/86/92/93/1040869293.db2.gz RGSHNLPQTZLREM-UHFFFAOYSA-N -1 0 335.809 3.658 20 0 EHADRM CCOCc1ccc(-c2ccc3c(c2)[C@H](CC(=O)[O-])C(=O)N3)cc1F ZINC000899633700 1040884537 /nfs/dbraw/zinc/88/45/37/1040884537.db2.gz HFRVFZDDXLCVAD-HNNXBMFYSA-N -1 0 343.354 3.540 20 0 EHADRM CC(C)n1nc(-c2ccco2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000433142158 1040894430 /nfs/dbraw/zinc/89/44/30/1040894430.db2.gz CEKVRWXQGGCLDQ-UHFFFAOYSA-N -1 0 349.387 3.664 20 0 EHADRM COc1cc(NC(=O)CCCSC(C)(C)C)ccc1C(=O)[O-] ZINC000909731344 1040981865 /nfs/dbraw/zinc/98/18/65/1040981865.db2.gz QUHNRPHXFRRNJT-UHFFFAOYSA-N -1 0 325.430 3.644 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2CCOC3(CCCC3)C2)c1 ZINC000909829563 1041015233 /nfs/dbraw/zinc/01/52/33/1041015233.db2.gz FCYMXZHGENIUCN-DZGCQCFKSA-N -1 0 331.412 3.553 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@H]2CCOC3(CCCC3)C2)c1 ZINC000909829564 1041015479 /nfs/dbraw/zinc/01/54/79/1041015479.db2.gz FCYMXZHGENIUCN-HIFRSBDPSA-N -1 0 331.412 3.553 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2cc(Br)ccc2F)c1 ZINC000500309264 1041016242 /nfs/dbraw/zinc/01/62/42/1041016242.db2.gz AVMTVUDHLSJSEG-UHFFFAOYSA-N -1 0 344.205 3.697 20 0 EHADRM CCC[C@H](CNC(=O)c1sc2cccc(F)c2c1Cl)C(=O)[O-] ZINC000909806325 1041017987 /nfs/dbraw/zinc/01/79/87/1041017987.db2.gz DZCLJGQTEHKSPO-MRVPVSSYSA-N -1 0 343.807 3.925 20 0 EHADRM C[C@H]1C[C@H](C)N(C(=O)N=c2[n-]nc(-c3cccc(Cl)c3)s2)C1 ZINC000481529616 1041028506 /nfs/dbraw/zinc/02/85/06/1041028506.db2.gz BAYRDYZETRFHIV-UWVGGRQHSA-N -1 0 336.848 3.543 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1C1CC1 ZINC000909845813 1041037625 /nfs/dbraw/zinc/03/76/25/1041037625.db2.gz HZRHFIUHGOYUIB-UHFFFAOYSA-N -1 0 343.354 3.591 20 0 EHADRM CC(C)(C)SCCCC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000909862357 1041050498 /nfs/dbraw/zinc/05/04/98/1041050498.db2.gz NWQZVAJXUWPEDP-LJQANCHMSA-N -1 0 349.496 3.553 20 0 EHADRM Cc1ccc(NC(=O)C(C)C)cc1NC(=O)[C@@H](CC(=O)[O-])CC(C)C ZINC000899763864 1041092224 /nfs/dbraw/zinc/09/22/24/1041092224.db2.gz HCVXPOAKADCYNI-CQSZACIVSA-N -1 0 348.443 3.665 20 0 EHADRM CCc1cc(C)c(C(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)o1 ZINC000487784522 1041098532 /nfs/dbraw/zinc/09/85/32/1041098532.db2.gz MMXZBHQBCKRZMW-UHFFFAOYSA-N -1 0 347.827 3.997 20 0 EHADRM COc1ccc(NC(=O)[C@H](CC(=O)[O-])CC(C)C)cc1OC(C)C ZINC000899780873 1041104732 /nfs/dbraw/zinc/10/47/32/1041104732.db2.gz JVCSMGGBJBXFKZ-ZDUSSCGKSA-N -1 0 337.416 3.558 20 0 EHADRM Cc1ccc([C@@H](CC(=O)Nc2cc(O)c(C)cc2C)C(=O)[O-])cc1 ZINC000899782044 1041105907 /nfs/dbraw/zinc/10/59/07/1041105907.db2.gz QQIUEKKTJDKAQO-OAHLLOKOSA-N -1 0 327.380 3.514 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)NCc1ccc(-c2cccnc2)cc1 ZINC000899770710 1041108461 /nfs/dbraw/zinc/10/84/61/1041108461.db2.gz NJNUKOSLCMPGKS-SFHVURJKSA-N -1 0 340.423 3.502 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])C[C@H]1C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000899772311 1041110742 /nfs/dbraw/zinc/11/07/42/1041110742.db2.gz VYVPNQLROHNXRW-LPHOPBHVSA-N -1 0 340.379 3.559 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)C2(c3ccccc3Cl)CCC2)s1 ZINC000652073707 1041116343 /nfs/dbraw/zinc/11/63/43/1041116343.db2.gz NUFDVPQREGFDMG-UHFFFAOYSA-N -1 0 349.839 3.838 20 0 EHADRM Cc1ccc([C@H](CC(=O)N([C@@H](C)c2ccco2)C2CC2)C(=O)[O-])cc1 ZINC000899802620 1041141982 /nfs/dbraw/zinc/14/19/82/1041141982.db2.gz GCLZDSHGOSVTOI-YOEHRIQHSA-N -1 0 341.407 3.899 20 0 EHADRM CCCOc1ccccc1NC(=O)C[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC000899795981 1041146485 /nfs/dbraw/zinc/14/64/85/1041146485.db2.gz GOBFMHPETOSFEQ-INIZCTEOSA-N -1 0 341.407 3.981 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1ccccc1OCC(F)(F)F ZINC000899796865 1041149072 /nfs/dbraw/zinc/14/90/72/1041149072.db2.gz RTVATBAXFSYLCA-LLVKDONJSA-N -1 0 347.333 3.703 20 0 EHADRM C/C=C(/CC)C(=O)N1CCC([C@@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000910034606 1041155477 /nfs/dbraw/zinc/15/54/77/1041155477.db2.gz VYTBPPHBEPKZCV-FDDPXEEKSA-N -1 0 329.440 3.840 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1ccc2nn(C(C)C)cc2c1 ZINC000899810606 1041157034 /nfs/dbraw/zinc/15/70/34/1041157034.db2.gz WWDWDMDDZDSCCI-ZDUSSCGKSA-N -1 0 331.416 3.693 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000899825441 1041171171 /nfs/dbraw/zinc/17/11/71/1041171171.db2.gz AYVQOBFUHQDNNK-RWMBFGLXSA-N -1 0 337.382 3.703 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N2Cc3ccccc3C[C@@H]2C)C(=O)[O-])cc1 ZINC000899821120 1041178731 /nfs/dbraw/zinc/17/87/31/1041178731.db2.gz GPHLIISBZGQZEB-HNAYVOBHSA-N -1 0 337.419 3.527 20 0 EHADRM Cc1cc(N=c2nc(-c3ccccc3)[n-]s2)nn1[C@@H](C)C1CC1 ZINC000512890637 1041180230 /nfs/dbraw/zinc/18/02/30/1041180230.db2.gz RGUPDEBPPHJWFM-LBPRGKRZSA-N -1 0 325.441 3.847 20 0 EHADRM Cc1ccc([C@@H](CC(=O)NCc2cscc2Cl)C(=O)[O-])cc1 ZINC000899835168 1041182200 /nfs/dbraw/zinc/18/22/00/1041182200.db2.gz LODGPRODUOBZTO-CYBMUJFWSA-N -1 0 337.828 3.585 20 0 EHADRM Cc1ccccc1[C@@H](C)C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])cs1 ZINC000910103876 1041192999 /nfs/dbraw/zinc/19/29/99/1041192999.db2.gz OYTNIJUNWFTATL-DOMZBBRYSA-N -1 0 344.436 3.617 20 0 EHADRM CCC(CC)(CNC(=O)[C@H](CC(=O)[O-])CC(C)C)C(F)(F)F ZINC000899832402 1041195500 /nfs/dbraw/zinc/19/55/00/1041195500.db2.gz GEKWIHJXAYZOPR-NSHDSACASA-N -1 0 325.371 3.608 20 0 EHADRM CCC[C@]1(C(=O)[O-])CCCN1C(=O)C[C@@H](c1ccc(O)cc1)C1CC1 ZINC000910115059 1041196886 /nfs/dbraw/zinc/19/68/86/1041196886.db2.gz NBDUVNXQBISJCO-YLJYHZDGSA-N -1 0 345.439 3.522 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])C[C@H]1C(=O)Nc1ccccc1Oc1ccccn1 ZINC000899841755 1041205520 /nfs/dbraw/zinc/20/55/20/1041205520.db2.gz DSRZNQCMPVBICD-ORAYPTAESA-N -1 0 340.379 3.559 20 0 EHADRM CCC[C@]1(C(=O)[O-])CCCN1C(=O)c1oc(-c2ccccc2)nc1C ZINC000910121474 1041205612 /nfs/dbraw/zinc/20/56/12/1041205612.db2.gz VIZQBWONFLRLAH-LJQANCHMSA-N -1 0 342.395 3.510 20 0 EHADRM Cc1ccc(C)c(C(=O)Nc2ccc3c(c2)C[C@H](C)O3)c1C(=O)[O-] ZINC000899843846 1041206210 /nfs/dbraw/zinc/20/62/10/1041206210.db2.gz YTIYQUDLDUSUKS-LBPRGKRZSA-N -1 0 325.364 3.577 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccsc2C)cc1 ZINC000909326386 1041247066 /nfs/dbraw/zinc/24/70/66/1041247066.db2.gz PFTRZCHSBIAKEI-CQSZACIVSA-N -1 0 335.450 3.724 20 0 EHADRM Cc1c(C(=O)[O-])sc2ncnc(NC[C@H]3CCO[C@@H](C(C)C)C3)c12 ZINC000571288228 1041255411 /nfs/dbraw/zinc/25/54/11/1041255411.db2.gz UEMQGLKMDFOTMI-NWDGAFQWSA-N -1 0 349.456 3.561 20 0 EHADRM O=C([O-])C1CCC(CC(=O)NCc2cccc3ccsc32)CC1 ZINC000652080241 1041330364 /nfs/dbraw/zinc/33/03/64/1041330364.db2.gz DEWBYRIYPPBINJ-UHFFFAOYSA-N -1 0 331.437 3.799 20 0 EHADRM CCSc1n[n-]c(=NC(=O)c2ccc(OC(C)(C)C)cc2)s1 ZINC000429966406 1041400721 /nfs/dbraw/zinc/40/07/21/1041400721.db2.gz PUTWVSOXSAKIHV-UHFFFAOYSA-N -1 0 337.470 3.502 20 0 EHADRM O=C(N=c1nc(-c2ccsc2)[n-]s1)c1ccc2c(c1)CCC=C2 ZINC000511714036 1041477169 /nfs/dbraw/zinc/47/71/69/1041477169.db2.gz TZIXNAPLJFXJFF-UHFFFAOYSA-N -1 0 339.445 3.900 20 0 EHADRM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000511727374 1041483131 /nfs/dbraw/zinc/48/31/31/1041483131.db2.gz ATGZMWKDKBIMGF-LLVKDONJSA-N -1 0 341.379 3.943 20 0 EHADRM CCC[C@@H](CC1CCCC1)C(=O)N[C@@H](CC1(OC)CCC1)C(=O)[O-] ZINC000652108644 1041618878 /nfs/dbraw/zinc/61/88/78/1041618878.db2.gz UGKXONHAUOFJQL-HOTGVXAUSA-N -1 0 339.476 3.512 20 0 EHADRM C/C(=C\C(C)(C)C)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000909340971 1041629561 /nfs/dbraw/zinc/62/95/61/1041629561.db2.gz DBGCSOZVJIORAW-ATWMFIQVSA-N -1 0 325.355 3.589 20 0 EHADRM C[C@]1(NC(=O)CCc2cc3ccccc3o2)CCCC[C@H]1C(=O)[O-] ZINC000432133483 1041632486 /nfs/dbraw/zinc/63/24/86/1041632486.db2.gz MRRQNVOBNBXVGN-KXBFYZLASA-N -1 0 329.396 3.515 20 0 EHADRM CC(C)c1n[n-]c(=NCc2ccc(COCC(F)(F)F)cc2)s1 ZINC000432151975 1041655619 /nfs/dbraw/zinc/65/56/19/1041655619.db2.gz UJCBDMDGBZMJGA-UHFFFAOYSA-N -1 0 345.390 3.774 20 0 EHADRM COc1ccc([C@H](Cc2ccccc2)N=c2[n-]nc(C(F)F)o2)cc1 ZINC000432180056 1041694848 /nfs/dbraw/zinc/69/48/48/1041694848.db2.gz UHSNJZVDZAENGO-HNNXBMFYSA-N -1 0 345.349 3.834 20 0 EHADRM COc1ccc(C)cc1C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000026432346 1041718567 /nfs/dbraw/zinc/71/85/67/1041718567.db2.gz NLIHDGCYCHXHEH-GIJQJNRQSA-N -1 0 334.759 3.890 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)N=c1[n-]nc(-c2ccccc2)s1 ZINC000467243035 1041814702 /nfs/dbraw/zinc/81/47/02/1041814702.db2.gz QLPHMRVWKDSGIY-SNPRPXQTSA-N -1 0 342.468 3.812 20 0 EHADRM Cc1cc2ccccc2c(NC(=O)N2CCC(C)(C(=O)[O-])CC2)c1 ZINC000647703451 1041890636 /nfs/dbraw/zinc/89/06/36/1041890636.db2.gz CIJHTGZPWMQSPQ-UHFFFAOYSA-N -1 0 326.396 3.867 20 0 EHADRM CC(C)(CC1CCCCCC1)NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000613790197 1042125099 /nfs/dbraw/zinc/12/50/99/1042125099.db2.gz CLRBODMGANAMIH-UHFFFAOYSA-N -1 0 331.416 3.797 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(c2ncc(Br)cc2Cl)C1 ZINC000662887155 1042191521 /nfs/dbraw/zinc/19/15/21/1042191521.db2.gz DRSQPFLUKKIAPN-SECBINFHSA-N -1 0 347.640 3.579 20 0 EHADRM COCc1cc(N2CCC[C@H](CCC(=O)[O-])C2)c2cc(F)ccc2n1 ZINC000662888181 1042196691 /nfs/dbraw/zinc/19/66/91/1042196691.db2.gz XDEPYGSJODUKDC-CYBMUJFWSA-N -1 0 346.402 3.602 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1c1ccnc2ccc(Br)cc21 ZINC000662894984 1042204550 /nfs/dbraw/zinc/20/45/50/1042204550.db2.gz YIDNQIGIATVMBC-WDEREUQCSA-N -1 0 349.228 3.687 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)s2)cc1OCC ZINC000047982692 1042273072 /nfs/dbraw/zinc/27/30/72/1042273072.db2.gz BPLCWCHEJIIXTK-UHFFFAOYSA-N -1 0 341.454 3.655 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)CC1CC(OC(C)(C)C)C1 ZINC000909373585 1042277727 /nfs/dbraw/zinc/27/77/27/1042277727.db2.gz ATAQRBWUOUTMSE-VMBOVVBDSA-N -1 0 347.455 3.611 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)s1 ZINC000048653245 1042399168 /nfs/dbraw/zinc/39/91/68/1042399168.db2.gz JAKLRLARMREDFY-UHFFFAOYSA-N -1 0 331.846 3.773 20 0 EHADRM Cc1cc(Br)ccc1CNC(=O)c1cccc(F)c1[O-] ZINC001126163559 1042408124 /nfs/dbraw/zinc/40/81/24/1042408124.db2.gz NCUHJWIAAJDPET-UHFFFAOYSA-N -1 0 338.176 3.532 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N2CCCC(F)(F)CC2)s1 ZINC000626235994 1042439020 /nfs/dbraw/zinc/43/90/20/1042439020.db2.gz BUONLLGNHJKLRG-UHFFFAOYSA-N -1 0 332.420 3.517 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)C2CC3(C2)CCCCC3)c2ccccc21 ZINC000663121460 1042470622 /nfs/dbraw/zinc/47/06/22/1042470622.db2.gz YZZIHFWOKXMADZ-SJORKVTESA-N -1 0 327.424 3.776 20 0 EHADRM COc1c(F)cc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])cc1F ZINC001211682706 1042490332 /nfs/dbraw/zinc/49/03/32/1042490332.db2.gz PYJWSOFBMXEFJB-UHFFFAOYSA-N -1 0 349.742 3.617 20 0 EHADRM COc1cc(Cl)ccc1CN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000652470312 1042493179 /nfs/dbraw/zinc/49/31/79/1042493179.db2.gz TWZZLSSNYXNPBD-INIZCTEOSA-N -1 0 331.799 3.533 20 0 EHADRM Cc1nc(CN2CCC[C@]2(C)C(=O)[O-])oc1-c1ccc(Cl)cc1 ZINC000652480633 1042497312 /nfs/dbraw/zinc/49/73/12/1042497312.db2.gz MEPROXVOJWQEBZ-QGZVFWFLSA-N -1 0 334.803 3.743 20 0 EHADRM O=C([O-])[C@H](CNC(=O)C1CCC(c2ccccc2)CC1)C1CCC1 ZINC000663154713 1042499749 /nfs/dbraw/zinc/49/97/49/1042499749.db2.gz MHWNMCHIMGTQRC-VMWRSERWSA-N -1 0 329.440 3.578 20 0 EHADRM CSc1ccc(O)c(C(=O)N2CC(C)(C)[C@H]2c2ccncc2)c1 ZINC000663164526 1042512910 /nfs/dbraw/zinc/51/29/10/1042512910.db2.gz CZGSSTSZOHJMGX-MRXNPFEDSA-N -1 0 328.437 3.732 20 0 EHADRM CCc1nc(S(=O)(=O)[N-]c2c(C)cccc2CC)cn1CC1CC1 ZINC000663251103 1042593755 /nfs/dbraw/zinc/59/37/55/1042593755.db2.gz JDRJVLBMZIYYBH-UHFFFAOYSA-N -1 0 347.484 3.527 20 0 EHADRM COC[C@@H](C)Oc1ccc(CNc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000663261241 1042608277 /nfs/dbraw/zinc/60/82/77/1042608277.db2.gz ZVLDYGTYPPFESK-CQSZACIVSA-N -1 0 329.396 3.719 20 0 EHADRM O=c1[nH]c(NN=Cc2cc(Cl)cc(Cl)c2[O-])nc2ccccc12 ZINC000254615011 1042611890 /nfs/dbraw/zinc/61/18/90/1042611890.db2.gz MPAQSXJTXWNBDV-UHFFFAOYSA-N -1 0 349.177 3.794 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])Cc1csc(COc2ccccc2)n1 ZINC000662227200 1042617403 /nfs/dbraw/zinc/61/74/03/1042617403.db2.gz XVOMSDURSBDRFV-UHFFFAOYSA-N -1 0 348.468 3.655 20 0 EHADRM CCc1ncc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cn1 ZINC000161913002 1042692711 /nfs/dbraw/zinc/69/27/11/1042692711.db2.gz OLGAAIPLUSPLNL-UHFFFAOYSA-N -1 0 339.420 3.507 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2ccc(OC3CCCCC3)cc2)CCC1 ZINC000663345523 1042731509 /nfs/dbraw/zinc/73/15/09/1042731509.db2.gz KINPZNTYUSTXET-UHFFFAOYSA-N -1 0 346.427 3.775 20 0 EHADRM CCCn1ccc2ccc(NC(=O)NC[C@@H](C(=O)[O-])C3CCC3)cc21 ZINC000663347864 1042735087 /nfs/dbraw/zinc/73/50/87/1042735087.db2.gz YJADKEFPTCWNQO-MRXNPFEDSA-N -1 0 343.427 3.674 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2ccccc2CCC(F)(F)F)CCC1 ZINC000663349210 1042737626 /nfs/dbraw/zinc/73/76/26/1042737626.db2.gz SDGSUAJQSBMANA-UHFFFAOYSA-N -1 0 344.333 3.558 20 0 EHADRM CC(C)Oc1ccc(NC(=O)NCC2(C(=O)[O-])CCC2)c(Cl)c1 ZINC000663353592 1042743740 /nfs/dbraw/zinc/74/37/40/1042743740.db2.gz XOJIAAZAAZPJKE-UHFFFAOYSA-N -1 0 340.807 3.504 20 0 EHADRM CCCCOc1ccc(CN=c2[n-]nc(COC)s2)cc1Cl ZINC000467007611 1042760554 /nfs/dbraw/zinc/76/05/54/1042760554.db2.gz REXQBTVFOFUPQN-UHFFFAOYSA-N -1 0 341.864 3.551 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)CCc2ccc(Cl)s2)c2ccccc21 ZINC000653330934 1042864601 /nfs/dbraw/zinc/86/46/01/1042864601.db2.gz LYDGWCDITPKHSS-KGLIPLIRSA-N -1 0 349.839 3.764 20 0 EHADRM Cc1ccc2cc(Cl)cc(C(=O)N3C[C@@H](C(=O)[O-])CC[C@@H]3C)c2n1 ZINC000647742580 1042948221 /nfs/dbraw/zinc/94/82/21/1042948221.db2.gz BJGJWKXHNPYYTC-AAEUAGOBSA-N -1 0 346.814 3.522 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)CCc2cc(Cl)cs2)c2ccccc21 ZINC000653331535 1042965434 /nfs/dbraw/zinc/96/54/34/1042965434.db2.gz SPFDCMJWHPUDPS-GJZGRUSLSA-N -1 0 349.839 3.764 20 0 EHADRM Cc1coc(-c2cccc(NC(=O)c3ccc(C(=O)[O-])cc3F)c2)n1 ZINC000432113032 1043013001 /nfs/dbraw/zinc/01/30/01/1043013001.db2.gz OOEINTQZPVLWMM-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1ccc(C(=O)[O-])cc1F ZINC000432120996 1043013574 /nfs/dbraw/zinc/01/35/74/1043013574.db2.gz TWRCOUCZRSADMR-MNOVXSKESA-N -1 0 345.345 3.811 20 0 EHADRM Cc1cnc([C@@H](C)Nc2ncnc3sc(C(=O)[O-])c(C)c32)s1 ZINC000317141094 1043039387 /nfs/dbraw/zinc/03/93/87/1043039387.db2.gz HLBPSZLZHVBJKI-MRVPVSSYSA-N -1 0 334.426 3.636 20 0 EHADRM CC(C)CCS(=O)(=O)[N-]C(=O)C(C)(C)c1cccc(Cl)c1 ZINC000077878389 1043059760 /nfs/dbraw/zinc/05/97/60/1043059760.db2.gz PFJWFXONLFMXCI-UHFFFAOYSA-N -1 0 331.865 3.950 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)c2ccc(OC(C)(C)C)cn2)s1 ZINC000432412600 1043115441 /nfs/dbraw/zinc/11/54/41/1043115441.db2.gz CEDLSGPXDUZCJR-UHFFFAOYSA-N -1 0 348.472 3.688 20 0 EHADRM CC(C)(C)n1cnc(NC(=O)c2cc(-c3ccccc3Cl)on2)n1 ZINC000344046869 1043156804 /nfs/dbraw/zinc/15/68/04/1043156804.db2.gz IWXXPQQLYQTRPM-UHFFFAOYSA-N -1 0 345.790 3.594 20 0 EHADRM CC1=C[C@@H](C)CN(C(=O)N=c2[n-]nc(-c3cccc(Cl)c3)s2)C1 ZINC000432496364 1043527033 /nfs/dbraw/zinc/52/70/33/1043527033.db2.gz LDPHPWHKEOLKAH-SNVBAGLBSA-N -1 0 348.859 3.710 20 0 EHADRM CCc1nc([N-]S(=O)(=O)c2cccc3ccccc32)sc1C ZINC000319855691 1043712546 /nfs/dbraw/zinc/71/25/46/1043712546.db2.gz HQHBFUBYIQWWPE-UHFFFAOYSA-N -1 0 332.450 3.968 20 0 EHADRM CCCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000032098465 1043760107 /nfs/dbraw/zinc/76/01/07/1043760107.db2.gz JTTLYIOQLFCAIY-UHFFFAOYSA-N -1 0 347.436 3.755 20 0 EHADRM CC(C)c1ccccc1S(=O)(=O)[N-]c1cnn(-c2ccccc2)c1 ZINC000344490479 1044059637 /nfs/dbraw/zinc/05/96/37/1044059637.db2.gz ZIPYDGXULYLRSK-UHFFFAOYSA-N -1 0 341.436 3.797 20 0 EHADRM Brc1ccc([C@H]2C[C@H]2N=c2nc(C3CC3)[n-]s2)s1 ZINC000360115925 1044188423 /nfs/dbraw/zinc/18/84/23/1044188423.db2.gz OXDBUODIYNIGAT-JGVFFNPUSA-N -1 0 342.287 3.629 20 0 EHADRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)c1cc(Cl)ccc1Cl ZINC000094743519 1044380905 /nfs/dbraw/zinc/38/09/05/1044380905.db2.gz PPTYEDWSCNPNTL-MFKMUULPSA-N -1 0 330.211 3.757 20 0 EHADRM CSc1ccccc1NC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000344814418 1044466502 /nfs/dbraw/zinc/46/65/02/1044466502.db2.gz PDQDFPIGNGLDPP-UHFFFAOYSA-N -1 0 343.383 3.691 20 0 EHADRM CC[C@H](N=c1nc([C@H](C)OC)[n-]s1)c1nc(-c2ccccc2)c[nH]1 ZINC000337882650 1044514197 /nfs/dbraw/zinc/51/41/97/1044514197.db2.gz VSNNKLSWJQGFQZ-AAEUAGOBSA-N -1 0 343.456 3.621 20 0 EHADRM O=C([O-])[C@H](Cc1ccccc1)NCc1csc(C2CCCC2)n1 ZINC001601660929 1126225082 /nfs/dbraw/zinc/22/50/82/1126225082.db2.gz YPLPFMRDQDSEFB-INIZCTEOSA-N -1 0 330.453 3.586 20 0 EHADRM CCn1ccc(C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)n1 ZINC000622481501 1126705751 /nfs/dbraw/zinc/70/57/51/1126705751.db2.gz VZQPHGPCCWYZKY-UHFFFAOYSA-N -1 0 334.590 3.821 20 0 EHADRM CC1(C)CN(C(=O)c2s[n-]c(=O)c2Cl)CC[C@@H]1C(F)(F)F ZINC000622553790 1126721645 /nfs/dbraw/zinc/72/16/45/1126721645.db2.gz YCIJYNSPPGLOBY-LURJTMIESA-N -1 0 342.770 3.553 20 0 EHADRM O=C(NC[C@@H]1CCCC(F)(F)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000622583458 1126724399 /nfs/dbraw/zinc/72/43/99/1126724399.db2.gz XUAOUXZAVQSTIK-SECBINFHSA-N -1 0 337.288 3.966 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1cccc(Oc2cnccn2)c1 ZINC000172356951 1126790847 /nfs/dbraw/zinc/79/08/47/1126790847.db2.gz UEGAFIOJFZNZMJ-UHFFFAOYSA-N -1 0 341.754 3.880 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(C3CC3)n2)c(Cl)cc1F ZINC000580695830 1126971370 /nfs/dbraw/zinc/97/13/70/1126971370.db2.gz OBORLSGEEZGABF-UHFFFAOYSA-N -1 0 340.807 3.861 20 0 EHADRM C[C@@H]1CCCC[C@H]1OCC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000073086710 1126998966 /nfs/dbraw/zinc/99/89/66/1126998966.db2.gz FKDYGEGLVBCSNP-BXUZGUMPSA-N -1 0 345.848 3.581 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000073086705 1126999181 /nfs/dbraw/zinc/99/91/81/1126999181.db2.gz ZTOFRSHYVONCIY-AWEZNQCLSA-N -1 0 345.848 3.723 20 0 EHADRM Cc1ccc(OCCCC(=O)[N-]S(=O)(=O)c2cccc(C)c2)cc1 ZINC000073121562 1127043736 /nfs/dbraw/zinc/04/37/36/1127043736.db2.gz KVJLEJOWXAFERT-UHFFFAOYSA-N -1 0 347.436 3.808 20 0 EHADRM Fc1ccc(-c2noc(=N[C@@H]3CCO[C@@H](c4ccccc4)C3)[n-]2)cc1 ZINC000624104719 1127251836 /nfs/dbraw/zinc/25/18/36/1127251836.db2.gz HMVMJUGEQZKWGC-IAGOWNOFSA-N -1 0 339.370 3.630 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)c1Cl ZINC000181134368 1127267459 /nfs/dbraw/zinc/26/74/59/1127267459.db2.gz UHDGBNFLGHHCJL-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM CC[C@@H](C)CS(=O)(=O)[N-][C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000182874800 1127351892 /nfs/dbraw/zinc/35/18/92/1127351892.db2.gz GBEVDWFNDITCDA-PELKAZGASA-N -1 0 345.333 3.534 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nc(Cc3ccccc3)cs2)c(C)o1 ZINC000183111303 1127363669 /nfs/dbraw/zinc/36/36/69/1127363669.db2.gz XYHXNWHEQRXLHZ-UHFFFAOYSA-N -1 0 348.449 3.745 20 0 EHADRM COc1nc2ccccc2cc1/C=C/c1ncc(/C=C\C(=O)[O-])s1 ZINC000764107142 1127445830 /nfs/dbraw/zinc/44/58/30/1127445830.db2.gz IMMLKEMZONXGJO-FFELTBSMSA-N -1 0 338.388 3.968 20 0 EHADRM Cc1ccsc1CN(C)c1ncnc2sc(C(=O)[O-])c(C)c21 ZINC000383988876 1127564136 /nfs/dbraw/zinc/56/41/36/1127564136.db2.gz UIUKPQIMDVSFLC-UHFFFAOYSA-N -1 0 333.438 3.704 20 0 EHADRM Cc1c(C(=O)NC[C@H](CC2CC2)C(=O)[O-])sc2cccc(F)c12 ZINC000405228857 1127618534 /nfs/dbraw/zinc/61/85/34/1127618534.db2.gz FKHVETRMPPTJLS-NSHDSACASA-N -1 0 335.400 3.580 20 0 EHADRM CC[C@@H]1c2ccsc2CCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000015547263 1127655382 /nfs/dbraw/zinc/65/53/82/1127655382.db2.gz JUKZSJVXUXHUGR-GFCCVEGCSA-N -1 0 331.466 3.556 20 0 EHADRM CCC[C@@]1(C(=O)[O-])CCCN1C(=O)Nc1ccc(C(F)F)cc1 ZINC000386424013 1127677765 /nfs/dbraw/zinc/67/77/65/1127677765.db2.gz MCBHCLHZUYJECR-INIZCTEOSA-N -1 0 326.343 3.875 20 0 EHADRM CC(C)OCc1ccccc1CNC(=O)c1ccc([O-])c(Cl)c1 ZINC000031340198 1127833343 /nfs/dbraw/zinc/83/33/43/1127833343.db2.gz LYWFJGJPFXTGBM-UHFFFAOYSA-N -1 0 333.815 3.901 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)Cc1cccc(OC(F)F)c1 ZINC000471993736 1127905455 /nfs/dbraw/zinc/90/54/55/1127905455.db2.gz WSDFLIVGFKADPR-UHFFFAOYSA-N -1 0 349.333 3.784 20 0 EHADRM CCOC(=O)c1ccccc1NC(=O)CC1(CC(=O)[O-])CCCCC1 ZINC000061002280 1128117836 /nfs/dbraw/zinc/11/78/36/1128117836.db2.gz CDHBXXDSJGUAGT-UHFFFAOYSA-N -1 0 347.411 3.617 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c2n[nH]cc21 ZINC000063635269 1128149903 /nfs/dbraw/zinc/14/99/03/1128149903.db2.gz GKSLSKVRDOGZHD-UHFFFAOYSA-N -1 0 335.816 3.634 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cnc(C(C)(C)C)nc2)c1C ZINC000063850173 1128159135 /nfs/dbraw/zinc/15/91/35/1128159135.db2.gz KFVSPCBGTUCSFH-UHFFFAOYSA-N -1 0 347.484 3.809 20 0 EHADRM O=C(Nc1ccc(F)c(C(F)F)c1)c1n[n-]c2ccccc2c1=O ZINC001649104272 1128259339 /nfs/dbraw/zinc/25/93/39/1128259339.db2.gz CDPCJPQINYHJEA-UHFFFAOYSA-N -1 0 333.269 3.664 20 0 EHADRM CCC[C@@](C)(NC(=O)Nc1ccc(C)c(Br)c1)C(=O)[O-] ZINC000109437656 1128202345 /nfs/dbraw/zinc/20/23/45/1128202345.db2.gz KWMRTAITUPGXIE-CQSZACIVSA-N -1 0 343.221 3.522 20 0 EHADRM C=CCOc1cccc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000067456458 1128241453 /nfs/dbraw/zinc/24/14/53/1128241453.db2.gz JQMZPFBKRVYXGV-FQEVSTJZSA-N -1 0 339.391 3.623 20 0 EHADRM O=C([N-]S(=O)(=O)CC1CC1)c1ccccc1CCc1ccccc1 ZINC000073537441 1128393272 /nfs/dbraw/zinc/39/32/72/1128393272.db2.gz KQOIFVWOPANFCJ-UHFFFAOYSA-N -1 0 343.448 3.516 20 0 EHADRM Cc1ccc(OCc2nc(-c3ccc(O)c(C(N)=O)c3)cs2)cc1 ZINC000055049899 1128501312 /nfs/dbraw/zinc/50/13/12/1128501312.db2.gz RXROELWRSATDFZ-UHFFFAOYSA-N -1 0 340.404 3.502 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)NC[C@@H](C(=O)[O-])C(C)C)cc1C ZINC000655892051 1128523542 /nfs/dbraw/zinc/52/35/42/1128523542.db2.gz NFFBTOPNHDENFD-SJORKVTESA-N -1 0 332.444 3.507 20 0 EHADRM C(C[C@@H]1CCCCO1)Sc1n[n-]c(=NC2CCCCC2)s1 ZINC000542720173 1128560223 /nfs/dbraw/zinc/56/02/23/1128560223.db2.gz MYNUQYVNMIPBOI-ZDUSSCGKSA-N -1 0 327.519 3.756 20 0 EHADRM COc1ccc2c(c1)CN(C(=O)c1cc(O)c3ccccc3c1)CC2 ZINC000353291700 1128546936 /nfs/dbraw/zinc/54/69/36/1128546936.db2.gz DGUOOFIXFHMGLC-UHFFFAOYSA-N -1 0 333.387 3.753 20 0 EHADRM CN(C(=O)c1cc(=O)c2ccccc2[n-]1)c1cccc2ccccc21 ZINC000056225332 1128548544 /nfs/dbraw/zinc/54/85/44/1128548544.db2.gz YLJIXGUWKGJHNK-UHFFFAOYSA-N -1 0 328.371 3.958 20 0 EHADRM COc1cccc(-c2noc(-c3cccc(Br)c3[O-])n2)c1 ZINC000542708114 1128550766 /nfs/dbraw/zinc/55/07/66/1128550766.db2.gz OBKPCAONOOBLSB-UHFFFAOYSA-N -1 0 347.168 3.880 20 0 EHADRM CCCCOc1ccc(CN=c2[n-]nc(C(C)(C)C)o2)cc1OCC ZINC000542754269 1128574681 /nfs/dbraw/zinc/57/46/81/1128574681.db2.gz ZLCORWFIARNDOD-UHFFFAOYSA-N -1 0 347.459 3.979 20 0 EHADRM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000304346703 1128743220 /nfs/dbraw/zinc/74/32/20/1128743220.db2.gz ZXQRKBRUILJDKW-UHFFFAOYSA-N -1 0 346.235 3.595 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)c1cc(C(C)C)nc2ccccc21 ZINC000765941810 1128802699 /nfs/dbraw/zinc/80/26/99/1128802699.db2.gz LKWGUXDERQPMFH-UHFFFAOYSA-N -1 0 348.468 3.606 20 0 EHADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)Cc1ccccc1C ZINC000074928038 1128832247 /nfs/dbraw/zinc/83/22/47/1128832247.db2.gz VLBQQIXOBCRHQX-UHFFFAOYSA-N -1 0 325.817 3.599 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CC(F)(F)C(F)(F)C1 ZINC001648842518 1120053065 /nfs/dbraw/zinc/05/30/65/1120053065.db2.gz OKMXIADJRFDBEZ-UHFFFAOYSA-N -1 0 347.695 3.925 20 0 EHADRM O=C(NCC1(CC2CC2)CC1)c1cc(Br)cc(F)c1[O-] ZINC001651086868 1120053092 /nfs/dbraw/zinc/05/30/92/1120053092.db2.gz ONORHXOXSPMALQ-UHFFFAOYSA-N -1 0 342.208 3.604 20 0 EHADRM Cc1cc2cc([N-]S(=O)(=O)c3c[nH]c4cccc(F)c43)ccc2[nH]1 ZINC000185190336 1120403263 /nfs/dbraw/zinc/40/32/63/1120403263.db2.gz UKHQDFQUOQKSST-UHFFFAOYSA-N -1 0 343.383 3.898 20 0 EHADRM CSc1cccc(C)c1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000185333263 1120409632 /nfs/dbraw/zinc/40/96/32/1120409632.db2.gz WUTFMVLQFSMJAY-UHFFFAOYSA-N -1 0 329.393 3.796 20 0 EHADRM Cc1csc2[nH]c(C=Cc3cccc(C(=O)[O-])c3Cl)nc(=O)c12 ZINC000188808944 1120508417 /nfs/dbraw/zinc/50/84/17/1120508417.db2.gz KRLQXQBITUVEAA-AATRIKPKSA-N -1 0 346.795 3.815 20 0 EHADRM O=C([O-])[C@@H](CC(=O)Nc1ccc(Br)cc1)c1ccccc1 ZINC000013249788 1128917002 /nfs/dbraw/zinc/91/70/02/1128917002.db2.gz NVJGVXSWQRZWRG-AWEZNQCLSA-N -1 0 348.196 3.646 20 0 EHADRM CC[C@@H]1CCCN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O ZINC000494552980 1120601090 /nfs/dbraw/zinc/60/10/90/1120601090.db2.gz BWPKSDATCGABRJ-CYBMUJFWSA-N -1 0 334.416 3.754 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)c2cccnc12 ZINC000193127944 1120760057 /nfs/dbraw/zinc/76/00/57/1120760057.db2.gz WFJWVQWMRARFCK-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM COc1ccc(/C=C/c2nc(-c3ccccc3)ncc2C(=O)[O-])cc1O ZINC000193405071 1120775229 /nfs/dbraw/zinc/77/52/29/1120775229.db2.gz SNXKPONVNKPFHR-VQHVLOKHSA-N -1 0 348.358 3.726 20 0 EHADRM Cc1cc(C)cc([N-]S(=O)(=O)c2ccccc2OC(F)F)c1 ZINC000195438753 1120784239 /nfs/dbraw/zinc/78/42/39/1120784239.db2.gz AGSGCEQOCGUNKE-UHFFFAOYSA-N -1 0 327.352 3.706 20 0 EHADRM C[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1ccc(F)c(F)c1 ZINC000193913465 1120807900 /nfs/dbraw/zinc/80/79/00/1120807900.db2.gz PUPUKJDVIWLTRD-LURJTMIESA-N -1 0 331.240 3.579 20 0 EHADRM O=S(=O)([N-]c1ncccc1Cl)c1cc(Cl)sc1Cl ZINC000226510269 1120816501 /nfs/dbraw/zinc/81/65/01/1120816501.db2.gz YUXOBCVDOZCNGV-UHFFFAOYSA-N -1 0 343.644 3.904 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)F)cc1 ZINC000194861723 1120866400 /nfs/dbraw/zinc/86/64/00/1120866400.db2.gz TWJUYVXRDVSCGJ-UHFFFAOYSA-N -1 0 345.392 3.811 20 0 EHADRM O=C([O-])c1cc(/C=C\c2cnn(CC(F)(F)F)c2)nc2ccccc21 ZINC000477353376 1128947505 /nfs/dbraw/zinc/94/75/05/1128947505.db2.gz OMKQLOCDLQOGKV-WAYWQWQTSA-N -1 0 347.296 3.862 20 0 EHADRM Cc1cnc(C(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)c(O)c1 ZINC000494905214 1120898904 /nfs/dbraw/zinc/89/89/04/1120898904.db2.gz AZQWDCOVTBPMNK-IBGZPJMESA-N -1 0 344.414 3.884 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)C=C2CCC(C)(C)CC2)sc1C(=O)[O-] ZINC000761992326 1121046879 /nfs/dbraw/zinc/04/68/79/1121046879.db2.gz DSLAZVCUQGGEKP-LLVKDONJSA-N -1 0 336.457 3.854 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)c2cccc(Cl)c2Cl)C1 ZINC000232769910 1121151444 /nfs/dbraw/zinc/15/14/44/1121151444.db2.gz HYXXJVNTMDJKLI-OAHLLOKOSA-N -1 0 330.211 3.566 20 0 EHADRM CC(C)(C)c1ccc(OCCCC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000236594338 1121457787 /nfs/dbraw/zinc/45/77/87/1121457787.db2.gz CTRLFZNEAYDKJP-GOEBONIOSA-N -1 0 347.455 3.513 20 0 EHADRM CC(C)[C@H](C)CC(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000236631193 1121458846 /nfs/dbraw/zinc/45/88/46/1121458846.db2.gz NUZHBQUYLUWFAU-DNVCBOLYSA-N -1 0 341.451 3.882 20 0 EHADRM CCCCOc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1 ZINC000236726769 1121461096 /nfs/dbraw/zinc/46/10/96/1121461096.db2.gz QRKMMWBZTRNECM-NJAFHUGGSA-N -1 0 345.439 3.723 20 0 EHADRM CC[C@@H](CC(=O)NCc1ccc(C(=O)[O-])c(OC)c1)c1ccccc1 ZINC000236925797 1121467900 /nfs/dbraw/zinc/46/79/00/1121467900.db2.gz KCIBLDQTVMNRHT-HNNXBMFYSA-N -1 0 341.407 3.594 20 0 EHADRM CCc1cccc2c(CC(=O)Nc3ccc(C)c(C(=O)[O-])c3)c[nH]c21 ZINC000237003556 1121470729 /nfs/dbraw/zinc/47/07/29/1121470729.db2.gz VAGBVJRYEXHRAY-UHFFFAOYSA-N -1 0 336.391 3.918 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc(OCc2ccccc2)cc1 ZINC000237063146 1121472604 /nfs/dbraw/zinc/47/26/04/1121472604.db2.gz YESGUPXEZAOULD-OAHLLOKOSA-N -1 0 341.407 3.591 20 0 EHADRM C[C@@H](CC(=O)NC[C@H](Cc1ccccc1)C(=O)[O-])C1CCCCC1 ZINC000237464207 1121484253 /nfs/dbraw/zinc/48/42/53/1121484253.db2.gz IINSWBVRPNZPKC-YJBOKZPZSA-N -1 0 331.456 3.653 20 0 EHADRM Cc1cccc(CSCC(=O)Nc2cc(C(=O)[O-])ccc2F)c1 ZINC000237644264 1121490747 /nfs/dbraw/zinc/49/07/47/1121490747.db2.gz MBXZSPRYXXIAMN-UHFFFAOYSA-N -1 0 333.384 3.704 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@H](C)CCc2cccc(F)c2)cc1C(=O)[O-] ZINC000262473650 1121515463 /nfs/dbraw/zinc/51/54/63/1121515463.db2.gz JQPBBYJZQRFHRE-GFCCVEGCSA-N -1 0 347.386 3.653 20 0 EHADRM O=C(CCCn1cnc2ccccc21)Nc1cc(Cl)c([O-])cc1F ZINC000672485727 1128990835 /nfs/dbraw/zinc/99/08/35/1128990835.db2.gz CKBZYZQAQLTNCH-UHFFFAOYSA-N -1 0 347.777 3.953 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccc2ccccc2c1)c1cccc(Cl)c1 ZINC000915815186 1121642094 /nfs/dbraw/zinc/64/20/94/1121642094.db2.gz BDKFYPDIKKBBQD-UHFFFAOYSA-N -1 0 345.807 3.612 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)[C@H]2CCCc3sccc32)cc1 ZINC000322393014 1121647028 /nfs/dbraw/zinc/64/70/28/1121647028.db2.gz RBYWEABVMLMISY-PPYMECGQSA-N -1 0 327.405 3.905 20 0 EHADRM Cc1c2ccc(NC(=O)c3cc(F)cc(Cl)c3[O-])cc2nn1C ZINC000436648784 1121814505 /nfs/dbraw/zinc/81/45/05/1121814505.db2.gz MYWFQCKVQAYEGX-UHFFFAOYSA-N -1 0 333.750 3.632 20 0 EHADRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000055631941 1121848370 /nfs/dbraw/zinc/84/83/70/1121848370.db2.gz YXOSQRPYMMDUAG-UHFFFAOYSA-N -1 0 335.809 3.740 20 0 EHADRM O=C(Nc1ccnn1-c1ccc(F)cc1)c1c([O-])cccc1Cl ZINC001649028778 1121911752 /nfs/dbraw/zinc/91/17/52/1121911752.db2.gz CUYPFJJHZYHBEL-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM O=c1c2c([n-]n1-c1nc(C(F)(F)F)nc3ccccc31)CCCCC2 ZINC000614184407 1121938777 /nfs/dbraw/zinc/93/87/77/1121938777.db2.gz AOIUEUQNDLFWDY-NSHDSACASA-N -1 0 348.328 3.932 20 0 EHADRM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)CCC(C)(F)F ZINC000916762023 1122343626 /nfs/dbraw/zinc/34/36/26/1122343626.db2.gz XHZIZNZWUOOLEU-UHFFFAOYSA-N -1 0 347.427 3.533 20 0 EHADRM O=C([N-]S(=O)(=O)/C=C\c1ccccc1)c1cccc2ccccc21 ZINC000916782662 1122347845 /nfs/dbraw/zinc/34/78/45/1122347845.db2.gz ZHYRAUGTOCBRBZ-YPKPFQOOSA-N -1 0 337.400 3.570 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)cc3cccnc32)cc1 ZINC000077687575 1129055982 /nfs/dbraw/zinc/05/59/82/1129055982.db2.gz JQMVVMDQTOOOQC-UHFFFAOYSA-N -1 0 340.404 3.547 20 0 EHADRM O=c1nc(Cc2cccnc2)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000917512024 1122623342 /nfs/dbraw/zinc/62/33/42/1122623342.db2.gz XMXDBLBFIOVEDK-UHFFFAOYSA-N -1 0 337.379 3.777 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)NCCc2cc(Cl)cc(Cl)c2)CC1 ZINC000262723263 1122787254 /nfs/dbraw/zinc/78/72/54/1122787254.db2.gz QXGOFZRQBXOJOU-HAQNSBGRSA-N -1 0 344.238 3.543 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cn2)c2ccccc12 ZINC000069675719 1122810509 /nfs/dbraw/zinc/81/05/09/1122810509.db2.gz VNRQYEDCFQRPDD-UHFFFAOYSA-N -1 0 346.383 3.573 20 0 EHADRM Cc1nc(SC[C@@H]2CC[C@H](C(F)(F)F)O2)[nH]c(=O)c1C1CC1 ZINC000918464322 1122814223 /nfs/dbraw/zinc/81/42/23/1122814223.db2.gz ZHTHCGNVNSHPQJ-VHSXEESVSA-N -1 0 334.363 3.570 20 0 EHADRM Fc1ccc(Oc2ccc(CN=c3[n-]c(C4CCC4)no3)cn2)cc1 ZINC000556196645 1122868773 /nfs/dbraw/zinc/86/87/73/1122868773.db2.gz QZTFBRKRUQUAKM-UHFFFAOYSA-N -1 0 340.358 3.698 20 0 EHADRM O=S(=O)(Cc1c(F)cccc1Cl)[N-]c1cc(C2CC2)ccn1 ZINC000556263152 1122904651 /nfs/dbraw/zinc/90/46/51/1122904651.db2.gz HSWAKMKIBBITHT-UHFFFAOYSA-N -1 0 340.807 3.693 20 0 EHADRM O=C([O-])c1ccc2[nH]c3c(c2c1)CN(C(=O)C=C1CCCCC1)CC3 ZINC000919998299 1123259835 /nfs/dbraw/zinc/25/98/35/1123259835.db2.gz FXBRIPXQHFUFTB-UHFFFAOYSA-N -1 0 338.407 3.641 20 0 EHADRM CCC/C(C)=C/C(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000920325191 1123357405 /nfs/dbraw/zinc/35/74/05/1123357405.db2.gz VVBDMCLYVXUDCZ-FNORWQNLSA-N -1 0 342.269 3.606 20 0 EHADRM COc1ccc2nc(NC(=O)c3c([O-])cccc3Cl)sc2c1 ZINC000920434282 1123373207 /nfs/dbraw/zinc/37/32/07/1123373207.db2.gz YWOZGNDAFXOLPC-UHFFFAOYSA-N -1 0 334.784 3.916 20 0 EHADRM O=C(N[C@@H]1CCSc2c(F)cccc21)c1c([O-])cc(F)cc1F ZINC000066042500 1129125786 /nfs/dbraw/zinc/12/57/86/1129125786.db2.gz OBTKKABRGKQADC-GFCCVEGCSA-N -1 0 339.338 3.776 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000077108387 1123533859 /nfs/dbraw/zinc/53/38/59/1123533859.db2.gz OXXIETLNMIIAEF-ZDUSSCGKSA-N -1 0 333.790 3.890 20 0 EHADRM Cc1cccc(C2(C(=O)NCc3cccc(C(=O)[O-])c3)CCCC2)c1 ZINC000237927138 1123549719 /nfs/dbraw/zinc/54/97/19/1123549719.db2.gz RUKAOAMIXGHXDI-UHFFFAOYSA-N -1 0 337.419 3.821 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000237559446 1123769434 /nfs/dbraw/zinc/76/94/34/1123769434.db2.gz RRRVMIKRMFPICB-UELRPHRMSA-N -1 0 331.412 3.851 20 0 EHADRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccccc1Nc1ccccc1 ZINC000137709454 1123772898 /nfs/dbraw/zinc/77/28/98/1123772898.db2.gz OCTOVMILGSSZGZ-UHFFFAOYSA-N -1 0 343.408 3.836 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)Nc1ccc2c(c1)COC2)C1CCCCC1 ZINC000237580458 1123780391 /nfs/dbraw/zinc/78/03/91/1123780391.db2.gz GVNZDMYSWVZZDJ-IBGZPJMESA-N -1 0 331.412 3.717 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)N3CCCC[C@H]3C(=O)[O-])cc2s1 ZINC000564361737 1123785474 /nfs/dbraw/zinc/78/54/74/1123785474.db2.gz SFERQAQHFVVWJC-ZDUSSCGKSA-N -1 0 347.440 3.891 20 0 EHADRM Cc1nc([C@H](C)NC(=O)c2ccc(C)c(Cl)c2)sc1C(=O)[O-] ZINC000237604503 1123788769 /nfs/dbraw/zinc/78/87/69/1123788769.db2.gz FYRRNFMAWNXKEN-VIFPVBQESA-N -1 0 338.816 3.603 20 0 EHADRM CC(C)(C)c1ccccc1C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000263322221 1123798894 /nfs/dbraw/zinc/79/88/94/1123798894.db2.gz RRQBXCLLRMBRSM-OAQYLSRUSA-N -1 0 339.435 3.756 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)NC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000237653564 1123801154 /nfs/dbraw/zinc/80/11/54/1123801154.db2.gz BNOGKOMNFCDMOQ-AEFFLSMTSA-N -1 0 339.435 3.548 20 0 EHADRM Cc1ccc(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)c(Cl)c1 ZINC000237669437 1123804725 /nfs/dbraw/zinc/80/47/25/1123804725.db2.gz BMBWYOTVOIWGLK-UHFFFAOYSA-N -1 0 343.810 3.847 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N(C)Cc2cccc(C)c2)s1 ZINC000615478920 1123805332 /nfs/dbraw/zinc/80/53/32/1123805332.db2.gz BZWCTGBBLNUNPC-UHFFFAOYSA-N -1 0 332.473 3.665 20 0 EHADRM Cc1ccc(C(=O)Nc2cccc(Cl)c2[O-])c(Br)n1 ZINC000179721448 1123827808 /nfs/dbraw/zinc/82/78/08/1123827808.db2.gz BKJPWNJQPOVCEN-UHFFFAOYSA-N -1 0 341.592 3.764 20 0 EHADRM O=C(c1nn(-c2cccc(F)c2)cc1[O-])N1CCC2(C1)CCCCC2 ZINC000670790974 1123916020 /nfs/dbraw/zinc/91/60/20/1123916020.db2.gz ITXYWXJRCXLNRI-UHFFFAOYSA-N -1 0 343.402 3.513 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)[C@@H]2CSc3ccccc32)cc1 ZINC000237946123 1123923036 /nfs/dbraw/zinc/92/30/36/1123923036.db2.gz BQFODJSAXYOWJN-JOZWUWCOSA-N -1 0 325.389 3.612 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000180253955 1123975855 /nfs/dbraw/zinc/97/58/55/1123975855.db2.gz ADFKBYXSLCCTJZ-UHFFFAOYSA-N -1 0 328.412 3.837 20 0 EHADRM Cc1cc(C(=O)N=c2nc(C(C)(C)C)[n-]s2)c2nccc(C)c2c1 ZINC000550687332 1123996872 /nfs/dbraw/zinc/99/68/72/1123996872.db2.gz AAJDWNKMCHYIJS-UHFFFAOYSA-N -1 0 340.452 3.675 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C[C@@H]2C[C@H]2c2ccccc2)C[C@H]1c1ccccc1 ZINC000263534083 1124014124 /nfs/dbraw/zinc/01/41/24/1124014124.db2.gz NTKXDZLZDHJBSS-LWYYNNOASA-N -1 0 349.430 3.507 20 0 EHADRM COc1ccc(-c2cc(C(=O)N[C@@H](C)[C@H](C)C(=O)[O-])sc2C)cc1 ZINC000263548406 1124079193 /nfs/dbraw/zinc/07/91/93/1124079193.db2.gz VFBAHOBZTPPGHJ-QWRGUYRKSA-N -1 0 347.436 3.571 20 0 EHADRM CCCC[C@@H](NC(=O)c1c(C)c(C)oc1-c1ccccc1)C(=O)[O-] ZINC000263547725 1124082611 /nfs/dbraw/zinc/08/26/11/1124082611.db2.gz UVNCCVKZFXJIAQ-OAHLLOKOSA-N -1 0 329.396 3.937 20 0 EHADRM Cc1cc(Cl)ccc1OCC(=O)N=c1cc(-c2cccs2)[nH][nH]1 ZINC000617365253 1124499893 /nfs/dbraw/zinc/49/98/93/1124499893.db2.gz BVCUGRGKHSPKMK-UHFFFAOYSA-N -1 0 347.827 3.539 20 0 EHADRM O=C(Cc1ccc(-n2cccc2)cc1)N=c1cc(-c2cccs2)[nH][nH]1 ZINC000617365820 1124500322 /nfs/dbraw/zinc/50/03/22/1124500322.db2.gz JMCXGOVHYIDYLC-UHFFFAOYSA-N -1 0 348.431 3.532 20 0 EHADRM C[C@@]1(Cc2ccccc2)CCCN1C(=O)C1CCC(C(=O)[O-])CC1 ZINC000263568434 1124526535 /nfs/dbraw/zinc/52/65/35/1124526535.db2.gz GZKXFZFRGAKQCY-UHYCVJNDSA-N -1 0 329.440 3.501 20 0 EHADRM CCCc1nc(=NC(=O)N(C)[C@H](c2ccccc2)C(C)C)s[n-]1 ZINC000564388090 1124616003 /nfs/dbraw/zinc/61/60/03/1124616003.db2.gz TWWUESRSWZOILZ-HNNXBMFYSA-N -1 0 332.473 3.774 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(Cl)cc1Cl ZINC000250732768 1124842001 /nfs/dbraw/zinc/84/20/01/1124842001.db2.gz AIDAUSDRIWCEAD-FZQKWOKYSA-N -1 0 342.222 3.851 20 0 EHADRM O=C([N-]S(=O)(=O)c1cccc2cnccc21)c1cccc(Cl)c1 ZINC000069595699 1124921930 /nfs/dbraw/zinc/92/19/30/1124921930.db2.gz MQNJUVVSBPJPEP-UHFFFAOYSA-N -1 0 346.795 3.582 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000618109108 1124989013 /nfs/dbraw/zinc/98/90/13/1124989013.db2.gz CWSKRFXYRNQEOD-MRXNPFEDSA-N -1 0 347.798 3.633 20 0 EHADRM CN(CC1CCCCC1)C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000618492209 1125097050 /nfs/dbraw/zinc/09/70/50/1125097050.db2.gz VKBLSBKEANSMNX-UHFFFAOYSA-N -1 0 347.846 3.884 20 0 EHADRM COc1cccc(N=c2[n-]nc(S[C@@H]3C[C@H](C)CCC3=O)s2)c1 ZINC000450611518 1125166455 /nfs/dbraw/zinc/16/64/55/1125166455.db2.gz ISCZXCBCSCQESG-QMTHXVAHSA-N -1 0 349.481 3.562 20 0 EHADRM CCCC[C@@H](CC)CC(=O)[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000735396646 1131339667 /nfs/dbraw/zinc/33/96/67/1131339667.db2.gz QZTAYRQOXPSVTG-OAHLLOKOSA-N -1 0 325.474 3.715 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)c1 ZINC000033916234 1131340109 /nfs/dbraw/zinc/34/01/09/1131340109.db2.gz BLZSMAMIXJLOAJ-UHFFFAOYSA-N -1 0 331.315 3.694 20 0 EHADRM Cc1noc(C)c1-c1nc(-c2ccc3[n-]c(=S)sc3c2)no1 ZINC001212499710 1129190383 /nfs/dbraw/zinc/19/03/83/1129190383.db2.gz ITXDIBSLBPAAHE-UHFFFAOYSA-N -1 0 330.394 3.907 20 0 EHADRM COCc1n[n-]c(=N[C@H](C)[C@H](C)c2ccccc2C(F)(F)F)s1 ZINC000499660420 1129273165 /nfs/dbraw/zinc/27/31/65/1129273165.db2.gz YIKCGYQTNCHWGP-VHSXEESVSA-N -1 0 345.390 3.729 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC3(CCC3)CC2)n1 ZINC000673310242 1129287347 /nfs/dbraw/zinc/28/73/47/1129287347.db2.gz PNZOXNZANDYODY-UHFFFAOYSA-N -1 0 339.439 3.547 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cc(C)n([C@@H](C)C3CC3)n2)cc1 ZINC000543164944 1129303975 /nfs/dbraw/zinc/30/39/75/1129303975.db2.gz FIJDISFOFGHCNL-ZDUSSCGKSA-N -1 0 333.457 3.526 20 0 EHADRM CCCCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000068076137 1129339136 /nfs/dbraw/zinc/33/91/36/1129339136.db2.gz QCGBBGWDDZRIDU-UHFFFAOYSA-N -1 0 347.436 3.697 20 0 EHADRM CN(C(=O)c1cc(F)c(F)c([O-])c1F)c1cccc2cccnc21 ZINC000670381201 1129348357 /nfs/dbraw/zinc/34/83/57/1129348357.db2.gz DSNJJDJSDUUACM-UHFFFAOYSA-N -1 0 332.281 3.634 20 0 EHADRM Cc1ccc([C@H]2CCN(C(=O)N=c3[n-]nc(C(C)(C)C)s3)C2)cc1 ZINC000543294833 1129394621 /nfs/dbraw/zinc/39/46/21/1129394621.db2.gz VPUMAOAUPNOMAN-AWEZNQCLSA-N -1 0 344.484 3.587 20 0 EHADRM Cc1cc(=NC(=O)CCCCCO[C@@H]2CCC[C@@H](C)C2)[n-]nc1C ZINC000499731890 1129426098 /nfs/dbraw/zinc/42/60/98/1129426098.db2.gz NIDAYANEANARGC-RHSMWYFYSA-N -1 0 333.476 3.610 20 0 EHADRM Cc1oc2ccccc2c1CC(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000466419014 1129439184 /nfs/dbraw/zinc/43/91/84/1129439184.db2.gz FQTBKUSPVNGEAX-UHFFFAOYSA-N -1 0 343.386 3.801 20 0 EHADRM CC(C)(C)c1nsc([N-]C(=O)c2cc(-c3cccs3)on2)n1 ZINC000069536360 1129459381 /nfs/dbraw/zinc/45/93/81/1129459381.db2.gz CJHVQSJFYLRZPF-UHFFFAOYSA-N -1 0 334.426 3.804 20 0 EHADRM CCc1c([N-]S(=O)(=O)c2cccc(C)c2)cnn1-c1ccccc1 ZINC000466471510 1129478809 /nfs/dbraw/zinc/47/88/09/1129478809.db2.gz CSIQVYDTLPFHMV-UHFFFAOYSA-N -1 0 341.436 3.544 20 0 EHADRM O=C([O-])c1cc(NCc2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000013180190 1129508935 /nfs/dbraw/zinc/50/89/35/1129508935.db2.gz WBOCNCSDLSFZOM-UHFFFAOYSA-N -1 0 340.257 3.924 20 0 EHADRM O=C(N[C@@H]1CCc2cc(F)ccc21)c1ccc2[n-]c(=S)oc2c1 ZINC000735852601 1131385698 /nfs/dbraw/zinc/38/56/98/1131385698.db2.gz JSWNMVMDPJLZBY-CYBMUJFWSA-N -1 0 328.368 3.673 20 0 EHADRM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000625129791 1129739773 /nfs/dbraw/zinc/73/97/73/1129739773.db2.gz QIIYPKZTRPWQBJ-GDBMZVCRSA-N -1 0 349.390 3.552 20 0 EHADRM CCOc1cccc(CN=c2[n-]nc(C(C)C)s2)c1OC(F)F ZINC000347803779 1129830089 /nfs/dbraw/zinc/83/00/89/1129830089.db2.gz XKGFIDBBRLODNM-UHFFFAOYSA-N -1 0 343.399 3.696 20 0 EHADRM CCCc1n[n-]c(=NCc2c[nH]nc2-c2cccc(Cl)c2)s1 ZINC000347809261 1129846312 /nfs/dbraw/zinc/84/63/12/1129846312.db2.gz GOWRKOOXDBCGFM-UHFFFAOYSA-N -1 0 333.848 3.568 20 0 EHADRM Cc1cc(=O)[nH]c2cc(Nc3ccc(C(=O)[O-])c(F)c3F)ccc12 ZINC001212514697 1129927338 /nfs/dbraw/zinc/92/73/38/1129927338.db2.gz IJOKJXWZRYYWMG-UHFFFAOYSA-N -1 0 330.290 3.969 20 0 EHADRM CCOc1ccccc1[N-]S(=O)(=O)c1c(C)ccc2ncccc21 ZINC000673982893 1129932685 /nfs/dbraw/zinc/93/26/85/1129932685.db2.gz QOFSBOSKMXPBFK-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM CCc1n[n-]c(=NC(=O)N[C@@H](C)c2cc(Cl)ccc2Cl)s1 ZINC000429203944 1129970182 /nfs/dbraw/zinc/97/01/82/1129970182.db2.gz NTQBNSOXRKOKSI-ZETCQYMHSA-N -1 0 345.255 3.712 20 0 EHADRM Cc1ccccc1C(C)(C)C(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000466633948 1129993982 /nfs/dbraw/zinc/99/39/82/1129993982.db2.gz HJKNGFFSYMSDDR-UHFFFAOYSA-N -1 0 331.419 3.790 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2nc3ccccc3s2)cc1 ZINC000171146653 1130019914 /nfs/dbraw/zinc/01/99/14/1130019914.db2.gz UFYDJVKIJYWKHE-UHFFFAOYSA-N -1 0 336.463 3.819 20 0 EHADRM C[C@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000171342197 1130048135 /nfs/dbraw/zinc/04/81/35/1130048135.db2.gz NNVXVMOUCKWZQD-CYBMUJFWSA-N -1 0 345.468 3.534 20 0 EHADRM O=C(c1c([O-])cc(F)cc1F)N1CCCC[C@@H]1Cc1ccccc1 ZINC000674744913 1130185679 /nfs/dbraw/zinc/18/56/79/1130185679.db2.gz OHIPMYWDBXNUEC-OAHLLOKOSA-N -1 0 331.362 3.908 20 0 EHADRM C[C@@H](NC(=O)c1c([O-])cc(F)cc1F)c1cccc(N2CCCC2)c1 ZINC000674864968 1130211068 /nfs/dbraw/zinc/21/10/68/1130211068.db2.gz AGEYZDJWNIPZRI-GFCCVEGCSA-N -1 0 346.377 3.762 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000675946329 1130508116 /nfs/dbraw/zinc/50/81/16/1130508116.db2.gz DDIMPEJMJBDUKG-OAHLLOKOSA-N -1 0 343.398 3.508 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)C1(C)C ZINC000675947067 1130508387 /nfs/dbraw/zinc/50/83/87/1130508387.db2.gz DXADLBTXGPPVDJ-INMHGKMJSA-N -1 0 333.403 3.696 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)CCc1ccccc1F)C(=O)[O-] ZINC000675967181 1130511453 /nfs/dbraw/zinc/51/14/53/1130511453.db2.gz XQXFWASTJUDLSD-OAHLLOKOSA-N -1 0 343.398 3.508 20 0 EHADRM Cn1cc(Nc2cccc(C(=O)Nc3cccc(Cl)c3[O-])c2)cn1 ZINC000676147980 1130537042 /nfs/dbraw/zinc/53/70/42/1130537042.db2.gz PLVIPKUIBPVMST-UHFFFAOYSA-N -1 0 342.786 3.775 20 0 EHADRM C[C@@H](C(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1ccccc1C(F)(F)F ZINC000676217904 1130546490 /nfs/dbraw/zinc/54/64/90/1130546490.db2.gz DUZOETZRSIQMSV-NEPJUHHUSA-N -1 0 343.345 3.522 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)C1 ZINC000676215710 1130548952 /nfs/dbraw/zinc/54/89/52/1130548952.db2.gz BWNZVKGMIWJDTN-CQSZACIVSA-N -1 0 349.858 3.865 20 0 EHADRM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(C)cc(F)c1 ZINC000676314603 1130563850 /nfs/dbraw/zinc/56/38/50/1130563850.db2.gz ZFPZGLPNBXYFGM-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)[N-]S(=O)(=O)C(C)C)c(F)c2)cc1C ZINC000730694104 1130731291 /nfs/dbraw/zinc/73/12/91/1130731291.db2.gz KDHGQTKNOYOHBZ-UHFFFAOYSA-N -1 0 349.427 3.578 20 0 EHADRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1)C1CC1 ZINC000732614319 1130941957 /nfs/dbraw/zinc/94/19/57/1130941957.db2.gz YXMTTXOHQYPDSM-AWEZNQCLSA-N -1 0 343.448 3.595 20 0 EHADRM CCC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cccc(C)c1 ZINC000733676294 1131065808 /nfs/dbraw/zinc/06/58/08/1131065808.db2.gz VELKGYNJTIQVRC-INIZCTEOSA-N -1 0 337.485 3.797 20 0 EHADRM CCC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000733674956 1131066072 /nfs/dbraw/zinc/06/60/72/1131066072.db2.gz RSNZJLRFKAWDEV-INIZCTEOSA-N -1 0 337.485 3.797 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)cc1 ZINC000348008316 1131125830 /nfs/dbraw/zinc/12/58/30/1131125830.db2.gz UXHBVHTUVGNSBS-CABCVRRESA-N -1 0 345.782 3.546 20 0 EHADRM C/C=C\COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000734043518 1131186790 /nfs/dbraw/zinc/18/67/90/1131186790.db2.gz FBLOWEOVDAXRKB-ARJAWSKDSA-N -1 0 345.420 3.529 20 0 EHADRM C[C@@H](NC(=O)CC1(C(=O)[O-])CCCCC1)c1nc2ccccc2s1 ZINC000734158935 1131204422 /nfs/dbraw/zinc/20/44/22/1131204422.db2.gz XDMMBSAYFNUOPB-GFCCVEGCSA-N -1 0 346.452 3.899 20 0 EHADRM Cc1cccc2cc(C(=O)[N-]S(=O)(=O)[C@@H](C)c3ccccc3)oc21 ZINC000737346166 1131487209 /nfs/dbraw/zinc/48/72/09/1131487209.db2.gz FUCUZPYZUMRBOA-ZDUSSCGKSA-N -1 0 343.404 3.562 20 0 EHADRM CCCCc1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)c2ccccc2)cc1 ZINC000737348139 1131490712 /nfs/dbraw/zinc/49/07/12/1131490712.db2.gz VHBFGMXUAOBKMG-OAHLLOKOSA-N -1 0 345.464 3.850 20 0 EHADRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)C[C@@H](C)c1ccc(CC)cc1 ZINC000739182555 1131493401 /nfs/dbraw/zinc/49/34/01/1131493401.db2.gz CHHVSXUPABZDMR-LSDHHAIUSA-N -1 0 339.501 3.625 20 0 EHADRM CCC[C@H](CCc1ccccc1)NC(=O)c1n[n-]c2ccccc2c1=O ZINC000741708973 1131638737 /nfs/dbraw/zinc/63/87/37/1131638737.db2.gz ARSWDBYNYKZDSL-MRXNPFEDSA-N -1 0 349.434 3.867 20 0 EHADRM C/C(=C/C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1)C(C)(C)C ZINC000744004502 1132006298 /nfs/dbraw/zinc/00/62/98/1132006298.db2.gz GDGKOFBWBKEAFL-QBFSEMIESA-N -1 0 331.437 3.637 20 0 EHADRM C[C@H](Cc1ccccc1Cl)NC(=O)c1c([O-])cc(F)cc1F ZINC000744321857 1132065886 /nfs/dbraw/zinc/06/58/86/1132065886.db2.gz MMWCCSYCVLBANX-SECBINFHSA-N -1 0 325.742 3.685 20 0 EHADRM Cc1cc(CO)cc(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)c1 ZINC001212756855 1132147240 /nfs/dbraw/zinc/14/72/40/1132147240.db2.gz KJIAPZJDTLKBAK-UHFFFAOYSA-N -1 0 343.404 3.631 20 0 EHADRM O=S(=O)([N-]c1nccc2sccc21)c1ccc(F)c(Cl)c1 ZINC000182022323 1132193016 /nfs/dbraw/zinc/19/30/16/1132193016.db2.gz DKKBISAJEOOYTQ-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM O=C(c1ccc([N-]c2nnc(-c3ccco3)o2)cc1)N1CCCCC1 ZINC001174071021 1132234058 /nfs/dbraw/zinc/23/40/58/1132234058.db2.gz CSLUBOLPNSOIKB-UHFFFAOYSA-N -1 0 338.367 3.699 20 0 EHADRM O=C([O-])CCN(C(=O)CSc1cc(Cl)ccc1Cl)C1CC1 ZINC000037583040 1132243619 /nfs/dbraw/zinc/24/36/19/1132243619.db2.gz XUUVKKFNVQEMJC-UHFFFAOYSA-N -1 0 348.251 3.551 20 0 EHADRM Cn1nc(C(F)(F)F)cc1Nc1c(Cl)c(F)[n-]c(=O)c1Cl ZINC001174325354 1132318692 /nfs/dbraw/zinc/31/86/92/1132318692.db2.gz GWPAYWVBIQYCJO-UHFFFAOYSA-N -1 0 345.083 3.729 20 0 EHADRM Cc1cc(C)c(Nc2ccnc(C(F)(F)F)c2)c(S(=O)(=O)[O-])c1 ZINC001174362756 1132335900 /nfs/dbraw/zinc/33/59/00/1132335900.db2.gz XMKPVHZIDLFMFD-UHFFFAOYSA-N -1 0 346.330 3.708 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2cnc3c(C(F)(F)F)cnn3c2)c1 ZINC001174495598 1132372246 /nfs/dbraw/zinc/37/22/46/1132372246.db2.gz QLCSQWVQEUHJBK-SNAWJCMRSA-N -1 0 348.284 3.590 20 0 EHADRM Cc1cc(Nc2cccc(/C=C/C(=O)[O-])c2)ccc1N1CCOCC1 ZINC001174496652 1132372466 /nfs/dbraw/zinc/37/24/66/1132372466.db2.gz RQABFPMAQQVZNR-VMPITWQZSA-N -1 0 338.407 3.673 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2c(F)cccc2N2CCOCC2)c1 ZINC001174497584 1132372592 /nfs/dbraw/zinc/37/25/92/1132372592.db2.gz ZDDWJAUWQHLLFB-BQYQJAHWSA-N -1 0 342.370 3.504 20 0 EHADRM O=C(NCCc1ccc(Cl)s1)c1ccc2[n-]c(=S)oc2c1 ZINC000746130140 1132380845 /nfs/dbraw/zinc/38/08/45/1132380845.db2.gz PBTCTYKJTBCVSH-UHFFFAOYSA-N -1 0 338.841 3.804 20 0 EHADRM COCCn1cc(Nc2cc(Cl)c(Cl)c(Cl)c2[O-])cn1 ZINC001174553111 1132414125 /nfs/dbraw/zinc/41/41/25/1132414125.db2.gz SOWTWPLRRHDUOO-UHFFFAOYSA-N -1 0 336.606 3.939 20 0 EHADRM COc1cc(Nc2ccc(C(=O)C(F)(F)F)cc2)ccc1C(=O)[O-] ZINC001174685372 1132435630 /nfs/dbraw/zinc/43/56/30/1132435630.db2.gz UBSOCQOJJZYPBO-UHFFFAOYSA-N -1 0 339.269 3.882 20 0 EHADRM COc1cc(Nc2ccc(C(=O)OC(C)C)cc2)ccc1C(=O)[O-] ZINC001174685715 1132435936 /nfs/dbraw/zinc/43/59/36/1132435936.db2.gz WUVFKJPXEJORMX-UHFFFAOYSA-N -1 0 329.352 3.702 20 0 EHADRM COc1cc(Nc2cc(C)cc(Br)n2)ccc1C(=O)[O-] ZINC001174683174 1132436025 /nfs/dbraw/zinc/43/60/25/1132436025.db2.gz UFKNFDJLZPGKKK-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM COc1cc(Nc2ccc(-n3cnc(C)c3)c(F)c2)ccc1C(=O)[O-] ZINC001174686644 1132436727 /nfs/dbraw/zinc/43/67/27/1132436727.db2.gz UQAHBLWIBYNCEA-UHFFFAOYSA-N -1 0 341.342 3.770 20 0 EHADRM COc1cc(Nc2ccc(C(=O)[O-])c(OC)c2)c(Cl)c(OC)c1 ZINC001174686785 1132436862 /nfs/dbraw/zinc/43/68/62/1132436862.db2.gz IXLJRWRLHUGQJW-UHFFFAOYSA-N -1 0 337.759 3.808 20 0 EHADRM COC(=O)c1cc(Nc2ccc(C(=O)[O-])s2)c(OC)cc1Cl ZINC001174807775 1132479160 /nfs/dbraw/zinc/47/91/60/1132479160.db2.gz OSZYCONMFIMFNN-UHFFFAOYSA-N -1 0 341.772 3.639 20 0 EHADRM CC(C)(C)OC(=O)c1ccc(Nc2ccc(C(=O)[O-])s2)cc1O ZINC001174807906 1132479221 /nfs/dbraw/zinc/47/92/21/1132479221.db2.gz LZCSJAQHCYBCJT-UHFFFAOYSA-N -1 0 335.381 3.851 20 0 EHADRM CN(C)c1ccc(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)cc1 ZINC001174881361 1132481200 /nfs/dbraw/zinc/48/12/00/1132481200.db2.gz SAURUGPYDNVPGX-UHFFFAOYSA-N -1 0 342.420 3.896 20 0 EHADRM CN(C)c1ccc(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)cc1 ZINC001174880531 1132494581 /nfs/dbraw/zinc/49/45/81/1132494581.db2.gz KOGQNJDTNIZSQG-UHFFFAOYSA-N -1 0 342.420 3.896 20 0 EHADRM CCOc1cc(Nc2cccc(S(=O)(=O)[O-])c2)ccc1Cl ZINC001212580247 1132512222 /nfs/dbraw/zinc/51/22/22/1132512222.db2.gz XMLSGDMDVOWJOD-UHFFFAOYSA-N -1 0 327.789 3.729 20 0 EHADRM CCc1ncc(Br)cc1Nc1ccc(CC(=O)[O-])cc1 ZINC001174949965 1132515451 /nfs/dbraw/zinc/51/54/51/1132515451.db2.gz MGGFVHQYUNMFTJ-UHFFFAOYSA-N -1 0 335.201 3.777 20 0 EHADRM CC(C)COC(=O)c1ccc(Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC001174953092 1132516840 /nfs/dbraw/zinc/51/68/40/1132516840.db2.gz JMURYQCBAAVHGK-UHFFFAOYSA-N -1 0 327.380 3.870 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2cc(C(F)(F)F)ccc2F)cc1 ZINC001175076657 1132561040 /nfs/dbraw/zinc/56/10/40/1132561040.db2.gz VSJIEGHWQQXONO-UHFFFAOYSA-N -1 0 335.278 3.835 20 0 EHADRM O=S(=O)([O-])c1cc(Cl)ccc1Nc1cc(F)c(F)cc1F ZINC001175087652 1132563543 /nfs/dbraw/zinc/56/35/43/1132563543.db2.gz YXVYCRJSIQTERP-UHFFFAOYSA-N -1 0 337.706 3.748 20 0 EHADRM CC1(C)COC(c2ccccc2Nc2ccc(C(=O)[O-])c(F)c2)=N1 ZINC001175161979 1132585954 /nfs/dbraw/zinc/58/59/54/1132585954.db2.gz PPDUGNYPCBWZLW-UHFFFAOYSA-N -1 0 328.343 3.823 20 0 EHADRM CC(C)(C)OC(=O)c1ccc(Nc2ccc(C(=O)[O-])c(F)c2)c(O)c1 ZINC001175161995 1132586114 /nfs/dbraw/zinc/58/61/14/1132586114.db2.gz QFRGXTZYOCXTQS-UHFFFAOYSA-N -1 0 347.342 3.928 20 0 EHADRM O=C([N-]Oc1ccccc1)C1(c2cccc(Br)c2)CC1 ZINC000773472489 1132594333 /nfs/dbraw/zinc/59/43/33/1132594333.db2.gz VOTSWIZPYQZCQW-UHFFFAOYSA-N -1 0 332.197 3.591 20 0 EHADRM Cc1cc(CCC(=O)NOc2ccccc2)ccc1Br ZINC000773472801 1132594417 /nfs/dbraw/zinc/59/44/17/1132594417.db2.gz KHHCUUCJQGOUOH-UHFFFAOYSA-N -1 0 334.213 3.800 20 0 EHADRM O=C([O-])c1cc(Nc2cc(F)ccc2OC[C@H]2CCCO2)ccc1F ZINC001175218633 1132598024 /nfs/dbraw/zinc/59/80/24/1132598024.db2.gz IXHGXPOQYFWASR-CYBMUJFWSA-N -1 0 349.333 3.964 20 0 EHADRM O=C([O-])c1cc(Nc2ccnn2Cc2ccccc2F)ccc1F ZINC001175215913 1132598202 /nfs/dbraw/zinc/59/82/02/1132598202.db2.gz QQEJRPFTQXXFAR-UHFFFAOYSA-N -1 0 329.306 3.651 20 0 EHADRM CC1(C)CC(=O)Nc2ccc(Nc3ccc(F)c(C(=O)[O-])c3)cc21 ZINC001175221526 1132598787 /nfs/dbraw/zinc/59/87/87/1132598787.db2.gz GQMSWDCZNNNPQO-UHFFFAOYSA-N -1 0 328.343 3.887 20 0 EHADRM Cc1cc2ccccc2nc1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001168923017 1132605995 /nfs/dbraw/zinc/60/59/95/1132605995.db2.gz UCMMUXVIADLRQL-UHFFFAOYSA-N -1 0 344.374 3.687 20 0 EHADRM O=C(Nc1ccc(-n2ccc(=O)[nH]2)cc1)[C@@H]1CCCC[C@H]1C1CC1 ZINC001168921575 1132606327 /nfs/dbraw/zinc/60/63/27/1132606327.db2.gz DKELUNHNVKFFAX-DLBZAZTESA-N -1 0 325.412 3.733 20 0 EHADRM COc1ccccc1-n1nccc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175316660 1132635881 /nfs/dbraw/zinc/63/58/81/1132635881.db2.gz XTXRTJCVAMARQJ-UHFFFAOYSA-N -1 0 343.770 3.976 20 0 EHADRM Cc1ncc(Nc2ccc(C(=O)[O-])c(Cl)c2)nc1Br ZINC001175316772 1132636251 /nfs/dbraw/zinc/63/62/51/1132636251.db2.gz ZRCSKSCFGPRHQE-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM COC(Cc1ccccc1Nc1ccc(C(=O)[O-])c(Cl)c1)OC ZINC001175319420 1132636889 /nfs/dbraw/zinc/63/68/89/1132636889.db2.gz XZWOZCJLTBCWOC-UHFFFAOYSA-N -1 0 335.787 3.943 20 0 EHADRM COC(=O)C1(c2ccc(Nc3ccc(C(=O)[O-])c(Cl)c3)cc2)CC1 ZINC001175320452 1132638212 /nfs/dbraw/zinc/63/82/12/1132638212.db2.gz RBUOWIYHPJHWIA-UHFFFAOYSA-N -1 0 345.782 3.986 20 0 EHADRM CC1(C)NC(=O)c2cc(Nc3ccc(C(=O)[O-])c(Cl)c3)ccc21 ZINC001175320436 1132638380 /nfs/dbraw/zinc/63/83/80/1132638380.db2.gz FOCJSYUOQDINKK-UHFFFAOYSA-N -1 0 330.771 3.760 20 0 EHADRM O=C([O-])c1ccccc1NC1CCN(c2ncccc2Cl)CC1 ZINC001169169245 1132691209 /nfs/dbraw/zinc/69/12/09/1132691209.db2.gz PLKFMBQTJKOXAD-UHFFFAOYSA-N -1 0 331.803 3.514 20 0 EHADRM O=c1cc(CNc2ncnc3cc(-c4ccc(F)cc4)sc32)o[n-]1 ZINC001169482452 1132765172 /nfs/dbraw/zinc/76/51/72/1132765172.db2.gz RANYYLIJCWLKTN-UHFFFAOYSA-N -1 0 342.355 3.803 20 0 EHADRM O=C([O-])c1cncc(Nc2ccc(Oc3ccc(F)cc3F)nc2)c1 ZINC001175836515 1132772046 /nfs/dbraw/zinc/77/20/46/1132772046.db2.gz BBZGZNJLYNGJFD-UHFFFAOYSA-N -1 0 343.289 3.989 20 0 EHADRM O=C([O-])c1cncc(Nc2cc(F)c(Br)c(F)c2)c1 ZINC001175841868 1132772527 /nfs/dbraw/zinc/77/25/27/1132772527.db2.gz AZXAZKXNZGFDFN-UHFFFAOYSA-N -1 0 329.100 3.564 20 0 EHADRM O=C([O-])c1cncc(Nc2cccc(NC(=O)c3ccccc3)c2)c1 ZINC001175841552 1132772552 /nfs/dbraw/zinc/77/25/52/1132772552.db2.gz LHSIPKKDDLYGRD-UHFFFAOYSA-N -1 0 333.347 3.776 20 0 EHADRM O=C([O-])c1cncc(Nc2cc(-c3ccc(OC(F)F)cc3)no2)c1 ZINC001175838760 1132773063 /nfs/dbraw/zinc/77/30/63/1132773063.db2.gz ORZPLAFKKYFJBT-UHFFFAOYSA-N -1 0 347.277 3.780 20 0 EHADRM COc1cc(Br)cc(C)c1Nc1cncc(C(=O)[O-])c1 ZINC001175843893 1132773257 /nfs/dbraw/zinc/77/32/57/1132773257.db2.gz VUCLTAKATLYRLS-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM CCOC(=O)C[C@H](Nc1ccc2oc(=S)[n-]c2c1)c1cccnc1 ZINC001169678908 1132817791 /nfs/dbraw/zinc/81/77/91/1132817791.db2.gz XVPFPBUYAQNSGV-ZDUSSCGKSA-N -1 0 343.408 3.618 20 0 EHADRM CC(C)c1ccc2cc(C(=O)Nc3nc(CC(=O)[O-])cs3)[nH]c2c1 ZINC000766807398 1132843669 /nfs/dbraw/zinc/84/36/69/1132843669.db2.gz BMFJOBGZFMYPPA-UHFFFAOYSA-N -1 0 343.408 3.627 20 0 EHADRM COc1ccccc1[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000766860302 1132885665 /nfs/dbraw/zinc/88/56/65/1132885665.db2.gz KFZMXPBJMZQQBR-ZIAGYGMSSA-N -1 0 345.782 3.789 20 0 EHADRM CCOc1ccccc1[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000766892435 1132911327 /nfs/dbraw/zinc/91/13/27/1132911327.db2.gz RZKOEKYYAWHOMV-UHFFFAOYSA-N -1 0 347.223 3.588 20 0 EHADRM C[C@H](CC(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000766939533 1132919827 /nfs/dbraw/zinc/91/98/27/1132919827.db2.gz PFHOPVLLRJVGSX-LLVKDONJSA-N -1 0 343.345 3.555 20 0 EHADRM CC(C)(C)OC(=O)NCc1cc(Nc2csc(C(=O)[O-])c2)ccn1 ZINC001176436387 1132928678 /nfs/dbraw/zinc/92/86/78/1132928678.db2.gz KSGVPPDELIFLAU-UHFFFAOYSA-N -1 0 349.412 3.610 20 0 EHADRM COc1cc(Br)c(C)nc1Nc1csc(C(=O)[O-])c1 ZINC001176436976 1132929174 /nfs/dbraw/zinc/92/91/74/1132929174.db2.gz QEWSIHJUCMCEAO-UHFFFAOYSA-N -1 0 343.202 3.664 20 0 EHADRM COc1ccc2oc(C(=O)N(CC(=O)[O-])C3CCCCC3)c(C)c2c1 ZINC000767024707 1132935557 /nfs/dbraw/zinc/93/55/57/1132935557.db2.gz JDOPCLVZXDZNER-UHFFFAOYSA-N -1 0 345.395 3.609 20 0 EHADRM CC[C@H](NC(=O)/C=C\c1cc(C)n(C2CCCCC2)c1C)C(=O)[O-] ZINC000767102756 1132944436 /nfs/dbraw/zinc/94/44/36/1132944436.db2.gz RCGYMTXJADDLRM-MQNTZWLQSA-N -1 0 332.444 3.603 20 0 EHADRM C/C(=C\C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1)c1cccc(F)c1 ZINC000767087901 1132947035 /nfs/dbraw/zinc/94/70/35/1132947035.db2.gz HWLBUKBXQZJURQ-CWOSXULZSA-N -1 0 325.339 3.966 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)C[C@@H]2CCc3ccccc3C2)cc1 ZINC000767091453 1132947831 /nfs/dbraw/zinc/94/78/31/1132947831.db2.gz KSMOBEDWHQRZPD-OQRGYWNNSA-N -1 0 335.403 3.918 20 0 EHADRM COc1ccccc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000767096909 1132949012 /nfs/dbraw/zinc/94/90/12/1132949012.db2.gz PKANMRREFSSIJW-STQMWFEESA-N -1 0 345.782 3.789 20 0 EHADRM Cc1nc2sccc2c(Nc2ccc(C3(C(=O)[O-])CC3)cc2)n1 ZINC001176581519 1132959706 /nfs/dbraw/zinc/95/97/06/1132959706.db2.gz HLUUQYWZHVUDOQ-UHFFFAOYSA-N -1 0 325.393 3.860 20 0 EHADRM Cn1cc(-c2ccc(Nc3ccc(C4(C(=O)[O-])CC4)cc3)cc2)cn1 ZINC001176586901 1132961164 /nfs/dbraw/zinc/96/11/64/1132961164.db2.gz OYIWBBWFUOKFNJ-UHFFFAOYSA-N -1 0 333.391 3.947 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2ccnn2Cc2ccccc2F)cc1 ZINC001176591390 1132962253 /nfs/dbraw/zinc/96/22/53/1132962253.db2.gz GXUZXXIEKCKFCB-JXMROGBWSA-N -1 0 337.354 3.912 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3ccc(-n4ccccc4=O)cc3)cc2)CC1 ZINC001176589900 1132962344 /nfs/dbraw/zinc/96/23/44/1132962344.db2.gz GSVMEYKEEWEEMB-UHFFFAOYSA-N -1 0 346.386 3.697 20 0 EHADRM CC(C)(C)c1nnc2ccc(Nc3ccc(/C=C/C(=O)[O-])cc3)cn21 ZINC001176594524 1132963538 /nfs/dbraw/zinc/96/35/38/1132963538.db2.gz TVQGPSHYOBGKBL-IZZDOVSWSA-N -1 0 336.395 3.868 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2cccc(F)c2N2CCOCC2)cc1 ZINC001176597041 1132968080 /nfs/dbraw/zinc/96/80/80/1132968080.db2.gz KZPCUGRRACKZFQ-RMKNXTFCSA-N -1 0 342.370 3.504 20 0 EHADRM CCNc1ccc(C(=O)OCC)cc1Nc1ccc(C(=O)[O-])cc1 ZINC001176712959 1132995071 /nfs/dbraw/zinc/99/50/71/1132995071.db2.gz VWFFGBGXOXWEJS-UHFFFAOYSA-N -1 0 328.368 3.737 20 0 EHADRM COc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cnc1Cl ZINC000767438418 1133002213 /nfs/dbraw/zinc/00/22/13/1133002213.db2.gz JFFUZVVGYWGBGM-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CC[C@@H](CC(=O)[N-]S(=O)(=O)c1c(C)cccc1Cl)C(C)C ZINC000767552406 1133013915 /nfs/dbraw/zinc/01/39/15/1133013915.db2.gz YEYFPAOIQCEYMI-LBPRGKRZSA-N -1 0 331.865 3.526 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)C1CCCCCCC1 ZINC000767563061 1133020370 /nfs/dbraw/zinc/02/03/70/1133020370.db2.gz TYVUUECJBSTWER-UHFFFAOYSA-N -1 0 343.876 3.814 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)C[C@H]1CCCC[C@@H]1C ZINC000767572590 1133021463 /nfs/dbraw/zinc/02/14/63/1133021463.db2.gz XOCLWTOFXJATSZ-WCQYABFASA-N -1 0 343.876 3.670 20 0 EHADRM Cc1noc(C(C)C)c1[N-]C(=O)c1nc(C)c(Br)s1 ZINC001178273542 1133152411 /nfs/dbraw/zinc/15/24/11/1133152411.db2.gz JPYAJKQXLSSCSL-UHFFFAOYSA-N -1 0 344.234 3.886 20 0 EHADRM CCc1cnccc1[C@@H](C)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000773764780 1133191904 /nfs/dbraw/zinc/19/19/04/1133191904.db2.gz QQDMSGXMIGEBLM-SNVBAGLBSA-N -1 0 327.409 3.565 20 0 EHADRM Cc1ccc([S@@](C)(=O)=NC(=O)c2ncc3ccccc3c2[O-])cc1 ZINC001179389257 1133249984 /nfs/dbraw/zinc/24/99/84/1133249984.db2.gz DNXQTDYGMKNCRC-XMMPIXPASA-N -1 0 340.404 3.546 20 0 EHADRM C[C@H]1Cc2cc(NC(=O)c3c([O-])cnc4c(F)cccc43)ccc2O1 ZINC001179509720 1133257693 /nfs/dbraw/zinc/25/76/93/1133257693.db2.gz IZEGZCCHUAWVJO-JTQLQIEISA-N -1 0 338.338 3.655 20 0 EHADRM CC(C)c1cncc(NC(=O)c2c([O-])cnc3c(F)cccc32)c1 ZINC001179687882 1133270729 /nfs/dbraw/zinc/27/07/29/1133270729.db2.gz BVKCADGDGKHCBX-UHFFFAOYSA-N -1 0 325.343 3.850 20 0 EHADRM CC1(C)C(C(=O)Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)C1(C)C ZINC001179694643 1133271578 /nfs/dbraw/zinc/27/15/78/1133271578.db2.gz VHPQOZVUSCIANV-UHFFFAOYSA-N -1 0 347.436 3.707 20 0 EHADRM COCCOc1ccc(NC(=O)c2c([O-])cccc2Cl)c(C)c1 ZINC000769714976 1133334356 /nfs/dbraw/zinc/33/43/56/1133334356.db2.gz XNCGUNFOKOGUOH-UHFFFAOYSA-N -1 0 335.787 3.632 20 0 EHADRM Cc1cc(NC(=O)c2c([O-])cccc2Cl)ccc1C(=O)NC(C)C ZINC000769783420 1133345322 /nfs/dbraw/zinc/34/53/22/1133345322.db2.gz BVEAXNQZIBAQHQ-UHFFFAOYSA-N -1 0 346.814 3.745 20 0 EHADRM C[C@@H]1CN(C)c2ccccc2N(C(=O)c2c([O-])cccc2Cl)C1 ZINC000769920914 1133360703 /nfs/dbraw/zinc/36/07/03/1133360703.db2.gz ITDQKFJDBGZYRN-GFCCVEGCSA-N -1 0 330.815 3.778 20 0 EHADRM Cc1ccsc1-c1nsc([N-]C(=O)c2scnc2Cl)n1 ZINC000770106059 1133387434 /nfs/dbraw/zinc/38/74/34/1133387434.db2.gz MJQCWHSWODWXSP-UHFFFAOYSA-N -1 0 342.858 3.937 20 0 EHADRM COc1ccc(C2(C(=O)Nc3ccccc3[S-])CCOCC2)cc1 ZINC001180597382 1133397659 /nfs/dbraw/zinc/39/76/59/1133397659.db2.gz JZGDCRMAQXYMRR-UHFFFAOYSA-N -1 0 343.448 3.671 20 0 EHADRM CN(CC(=O)Nc1cc(Cl)cc(Cl)c1[O-])C(=O)OC(C)(C)C ZINC000770451423 1133432525 /nfs/dbraw/zinc/43/25/25/1133432525.db2.gz KDTLAGJAJMVBGZ-UHFFFAOYSA-N -1 0 349.214 3.504 20 0 EHADRM CCCC(=CC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1)CCC ZINC000771258925 1133532174 /nfs/dbraw/zinc/53/21/74/1133532174.db2.gz LFLKSCFYNHTASK-UHFFFAOYSA-N -1 0 329.849 3.672 20 0 EHADRM Cc1c(Cl)cc(NC(=O)[C@H](CO)c2ccccc2)c([O-])c1Cl ZINC001181922195 1133552687 /nfs/dbraw/zinc/55/26/87/1133552687.db2.gz HNSPHMOJYWQFEB-LLVKDONJSA-N -1 0 340.206 3.722 20 0 EHADRM Cc1nc(NC2CC2)sc1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000771746052 1133591741 /nfs/dbraw/zinc/59/17/41/1133591741.db2.gz PYXHTAIFGDGSLW-UHFFFAOYSA-N -1 0 341.795 3.776 20 0 EHADRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 ZINC000774387100 1133668686 /nfs/dbraw/zinc/66/86/86/1133668686.db2.gz ONAXDCMNNGHLHV-MZHSRFCDSA-N -1 0 341.517 3.618 20 0 EHADRM Cc1c(NC(=O)c2c([O-])cccc2Cl)cnn1-c1ccccc1F ZINC000772533879 1133695290 /nfs/dbraw/zinc/69/52/90/1133695290.db2.gz JSVQTBHDYZHDKY-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM O=C(Cc1ccc([S-])cc1)N1CCC2(CC(OCC3CC3)C2)CC1 ZINC001183188786 1133776532 /nfs/dbraw/zinc/77/65/32/1133776532.db2.gz VNVRDHAPTOPBSQ-UHFFFAOYSA-N -1 0 345.508 3.716 20 0 EHADRM CC1(C)Cc2c(NC(=O)Cc3ccc([S-])cc3)cccc2NC1=O ZINC001183188438 1133776864 /nfs/dbraw/zinc/77/68/64/1133776864.db2.gz YRVILFIXNODZTE-UHFFFAOYSA-N -1 0 340.448 3.677 20 0 EHADRM O=C(N[C@@H]1CCCC12CC2)c1cc(Br)cc(Cl)c1[O-] ZINC001184107968 1133893920 /nfs/dbraw/zinc/89/39/20/1133893920.db2.gz JJLIZABPUWXFBO-LLVKDONJSA-N -1 0 344.636 3.871 20 0 EHADRM Cc1onc(OC(F)F)c1[N-]C(=O)c1cnc(-c2ccco2)s1 ZINC000788108684 1134076488 /nfs/dbraw/zinc/07/64/88/1134076488.db2.gz CBRILXRCSBCWGG-UHFFFAOYSA-N -1 0 341.295 3.553 20 0 EHADRM COc1cccc([N-]S(=O)(=O)c2cc3ccccc3s2)c1OC ZINC001185421174 1134081542 /nfs/dbraw/zinc/08/15/42/1134081542.db2.gz KKVWGQCFABRURT-UHFFFAOYSA-N -1 0 349.433 3.719 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc3ccccc3n2)ccc1Cl ZINC001185485587 1134097091 /nfs/dbraw/zinc/09/70/91/1134097091.db2.gz VJAHGNQPLFKVKW-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM CCC(CC)[C@@H](NC(=O)C(=O)[N-]OC1CCCCC1)c1ccccc1 ZINC000788234263 1134104039 /nfs/dbraw/zinc/10/40/39/1134104039.db2.gz LLRGABZMMQVOEZ-GOSISDBHSA-N -1 0 346.471 3.661 20 0 EHADRM CC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1 ZINC001185530278 1134104761 /nfs/dbraw/zinc/10/47/61/1134104761.db2.gz WWOPLWSFVIQIFR-UHFFFAOYSA-N -1 0 341.791 3.791 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1ncnc(Cl)c1C(C)C ZINC001185803903 1134135617 /nfs/dbraw/zinc/13/56/17/1134135617.db2.gz NDRDFIWXZULIRV-UHFFFAOYSA-N -1 0 343.811 3.502 20 0 EHADRM O=S(=O)([N-]c1cc2ccccc2s1)c1ccc2n[nH]cc2c1 ZINC001185945034 1134149704 /nfs/dbraw/zinc/14/97/04/1134149704.db2.gz BJWYMTJEXCRNRD-UHFFFAOYSA-N -1 0 329.406 3.578 20 0 EHADRM O=C(c1cccc([S-])c1)N(Cc1cccnc1)Cc1ccccn1 ZINC001186148994 1134175696 /nfs/dbraw/zinc/17/56/96/1134175696.db2.gz KWCBJIBVHSBBCH-UHFFFAOYSA-N -1 0 335.432 3.608 20 0 EHADRM O=C(Nc1ccc2c(Br)n[nH]c2c1)c1cccc([S-])c1 ZINC001186153103 1134176259 /nfs/dbraw/zinc/17/62/59/1134176259.db2.gz UPKCJVRUNBGQCK-UHFFFAOYSA-N -1 0 348.225 3.866 20 0 EHADRM COc1cccc([N-]S(=O)(=O)c2csc3ccccc32)c1OC ZINC001186451522 1134214347 /nfs/dbraw/zinc/21/43/47/1134214347.db2.gz OJLJFXUEQRUEON-UHFFFAOYSA-N -1 0 349.433 3.719 20 0 EHADRM O=S(=O)([N-]c1ccnc(C2CC2)c1)c1csc2ccccc21 ZINC001186463513 1134225336 /nfs/dbraw/zinc/22/53/36/1134225336.db2.gz CBQKFLHVOOWZTB-UHFFFAOYSA-N -1 0 330.434 3.975 20 0 EHADRM O=C(N[C@@H]1CCc2c1c(F)ccc2F)c1cc(F)c(F)c([O-])c1F ZINC001186800855 1134254584 /nfs/dbraw/zinc/25/45/84/1134254584.db2.gz ANSDBJLFVGXKQI-LLVKDONJSA-N -1 0 343.251 3.505 20 0 EHADRM Cc1cc(C)c([N-]S(=O)(=O)c2ccco2)c(C)c1Br ZINC001186856631 1134269361 /nfs/dbraw/zinc/26/93/61/1134269361.db2.gz RDZMSUDZYGNSQV-UHFFFAOYSA-N -1 0 344.230 3.768 20 0 EHADRM O=S(=O)([N-]c1c(Cl)ccc2nc(Cl)ccc21)c1ccco1 ZINC001186857104 1134269380 /nfs/dbraw/zinc/26/93/80/1134269380.db2.gz HWBWKBGGXMPJPX-UHFFFAOYSA-N -1 0 343.191 3.935 20 0 EHADRM O=S(=O)([N-]c1cc(F)cc(OCc2ccccc2)c1)c1ccco1 ZINC001186859293 1134269686 /nfs/dbraw/zinc/26/96/86/1134269686.db2.gz VNMZLTFQFBALOW-UHFFFAOYSA-N -1 0 347.367 3.799 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)ccc1F ZINC001187206640 1134314113 /nfs/dbraw/zinc/31/41/13/1134314113.db2.gz GJWOYUOJJQQYCS-UHFFFAOYSA-N -1 0 341.429 3.575 20 0 EHADRM COc1ccc(C(=O)[O-])cc1NCc1nc2ccc(Cl)cc2n1C ZINC000789898452 1134347105 /nfs/dbraw/zinc/34/71/05/1134347105.db2.gz VBYSNOTYYSHVKK-UHFFFAOYSA-N -1 0 345.786 3.546 20 0 EHADRM CCCOc1cccc(CNc2cc3c(c(C(=O)[O-])c2)OCCO3)c1 ZINC000789902481 1134347686 /nfs/dbraw/zinc/34/76/86/1134347686.db2.gz BFEMHJYVIWBVHA-UHFFFAOYSA-N -1 0 343.379 3.557 20 0 EHADRM CCSc1cccc(CNc2cc3c(c(C(=O)[O-])c2)OCCO3)c1 ZINC000789902121 1134347833 /nfs/dbraw/zinc/34/78/33/1134347833.db2.gz KOTFYTGEZWOIFM-UHFFFAOYSA-N -1 0 345.420 3.880 20 0 EHADRM O=C([N-]n1ccccc1=O)c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000789905495 1134348613 /nfs/dbraw/zinc/34/86/13/1134348613.db2.gz RMKGRAHCFLSXPP-UHFFFAOYSA-N -1 0 348.280 3.511 20 0 EHADRM CC(C)n1cnc([N-]S(=O)(=O)CCc2cccc3ccccc32)c1 ZINC001187616963 1134357036 /nfs/dbraw/zinc/35/70/36/1134357036.db2.gz OBQJZGVPEBFIDH-UHFFFAOYSA-N -1 0 343.452 3.602 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2nccc3ccncc32)cc1 ZINC000790643859 1134450678 /nfs/dbraw/zinc/45/06/78/1134450678.db2.gz KIFQFGVERHAVEA-UHFFFAOYSA-N -1 0 341.436 3.728 20 0 EHADRM CCn1cnc([N-]S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)c1 ZINC001188428472 1134462294 /nfs/dbraw/zinc/46/22/94/1134462294.db2.gz BAKJZMYPMAOPEP-UHFFFAOYSA-N -1 0 345.399 3.510 20 0 EHADRM O=C(Nc1cc2ccccc2oc1=O)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188563578 1134476599 /nfs/dbraw/zinc/47/65/99/1134476599.db2.gz MAMZYNQTFHYXIS-UHFFFAOYSA-N -1 0 349.264 3.770 20 0 EHADRM CC(C)c1ccc(NS(=O)(=O)c2ccoc2)c(Br)c1 ZINC001188607835 1134481613 /nfs/dbraw/zinc/48/16/13/1134481613.db2.gz MTOSYLOASJFDRW-UHFFFAOYSA-N -1 0 344.230 3.966 20 0 EHADRM CC(C)(C)COc1ccc([N-]S(=O)(=O)c2ccoc2)cc1F ZINC001188614011 1134481940 /nfs/dbraw/zinc/48/19/40/1134481940.db2.gz BWMRITRIYNTHNS-UHFFFAOYSA-N -1 0 327.377 3.644 20 0 EHADRM CCc1c(Cl)cc([N-]S(=O)(=O)c2ccoc2)c(O)c1Cl ZINC001188615456 1134483183 /nfs/dbraw/zinc/48/31/83/1134483183.db2.gz NFCVOSJGYPIRQK-UHFFFAOYSA-N -1 0 336.196 3.655 20 0 EHADRM O=S(=O)([N-]c1cc(F)ccn1)c1ccc2oc3ccccc3c2c1 ZINC001188802791 1134510662 /nfs/dbraw/zinc/51/06/62/1134510662.db2.gz ACAIVLHHUOJDCY-UHFFFAOYSA-N -1 0 342.351 3.921 20 0 EHADRM COc1cc(COC(=O)c2c(F)cc([O-])cc2F)ccc1SC ZINC000746985775 1134514469 /nfs/dbraw/zinc/51/44/69/1134514469.db2.gz IYLUNICBQJPZAZ-UHFFFAOYSA-N -1 0 340.347 3.758 20 0 EHADRM CC(C)c1ccccc1NC(=O)COC(=O)c1c(F)cc([O-])cc1F ZINC000746986208 1134516079 /nfs/dbraw/zinc/51/60/79/1134516079.db2.gz OAXKHAMIJLGKJR-UHFFFAOYSA-N -1 0 349.333 3.589 20 0 EHADRM O=C(c1cc2sccc2c(O)c1)N1CCO[C@@H](c2cccs2)C1 ZINC000791388588 1134542784 /nfs/dbraw/zinc/54/27/84/1134542784.db2.gz USRKPDCZKDPDNP-CQSZACIVSA-N -1 0 345.445 3.882 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3ccncc3c2)c1 ZINC001189610698 1134606609 /nfs/dbraw/zinc/60/66/09/1134606609.db2.gz LYTZOZZPNIZUNZ-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000775290607 1134615008 /nfs/dbraw/zinc/61/50/08/1134615008.db2.gz CXPZRPOCWHXWPJ-NSHDSACASA-N -1 0 331.503 3.776 20 0 EHADRM COc1cc(F)c(S(=O)(=O)N[C@@H](C)CC2CCCCC2)c(F)c1 ZINC001189937471 1134638950 /nfs/dbraw/zinc/63/89/50/1134638950.db2.gz PRLJZMVWWJHCRZ-NSHDSACASA-N -1 0 347.427 3.611 20 0 EHADRM COC(=O)c1sc2ncccc2c1Nc1ccc(C(=O)[O-])cc1F ZINC001203286505 1134638989 /nfs/dbraw/zinc/63/89/89/1134638989.db2.gz SWHANIWGSQFRKQ-UHFFFAOYSA-N -1 0 346.339 3.664 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)c(O)c1 ZINC001189982996 1134646749 /nfs/dbraw/zinc/64/67/49/1134646749.db2.gz VEGYKHXKWJQTCE-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM CCc1cccnc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC001190295815 1134681661 /nfs/dbraw/zinc/68/16/61/1134681661.db2.gz GPRRHJAJTCMQTC-UHFFFAOYSA-N -1 0 348.321 3.603 20 0 EHADRM O=S(=O)([N-]c1ccc(F)c(C2CC2)c1)c1cc(F)cc(F)c1F ZINC001190395714 1134690830 /nfs/dbraw/zinc/69/08/30/1134690830.db2.gz REUXEJHMBPIGLY-UHFFFAOYSA-N -1 0 345.317 3.921 20 0 EHADRM Cc1ccc(C(C)(C)NS(=O)(=O)c2cc(F)cc(F)c2F)cc1 ZINC001190401193 1134691608 /nfs/dbraw/zinc/69/16/08/1134691608.db2.gz FQQXRVZZBKCXTK-UHFFFAOYSA-N -1 0 343.370 3.626 20 0 EHADRM CC(C)[C@@H](NS(=O)(=O)c1cc(F)cc(F)c1F)c1ccccc1 ZINC001190401601 1134691850 /nfs/dbraw/zinc/69/18/50/1134691850.db2.gz LWYNDRZCYMLGQY-MRXNPFEDSA-N -1 0 343.370 3.780 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(F)nc(F)c2)cc1 ZINC001190423069 1134697717 /nfs/dbraw/zinc/69/77/17/1134697717.db2.gz CJOMAWGOBAXKEJ-UHFFFAOYSA-N -1 0 340.395 3.848 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cnnc(Cl)c2)cc1 ZINC001190424191 1134698617 /nfs/dbraw/zinc/69/86/17/1134698617.db2.gz UWQNIYUSUOYZJK-UHFFFAOYSA-N -1 0 339.848 3.618 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2c(C)ncnc2C)cc1 ZINC001190432235 1134700200 /nfs/dbraw/zinc/70/02/00/1134700200.db2.gz RXUSFFDHHNJFGI-UHFFFAOYSA-N -1 0 333.457 3.582 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(O)c2OC)cc1 ZINC001190446935 1134703011 /nfs/dbraw/zinc/70/30/11/1134703011.db2.gz BSPJOHSPGCPYQZ-UHFFFAOYSA-N -1 0 349.452 3.889 20 0 EHADRM Cc1cc2nsnc2cc1NS(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190505535 1134708224 /nfs/dbraw/zinc/70/82/24/1134708224.db2.gz CVWKYAHTXSYVGZ-UHFFFAOYSA-N -1 0 345.449 3.678 20 0 EHADRM COc1ccc(-c2ccccc2)c([N-]S(=O)(=O)c2ccncc2)c1 ZINC001190887530 1134763342 /nfs/dbraw/zinc/76/33/42/1134763342.db2.gz MUBSXOXIEXUOKO-UHFFFAOYSA-N -1 0 340.404 3.558 20 0 EHADRM O=S(=O)([N-]c1ccccc1-c1ccc(F)c(F)c1)c1ccncc1 ZINC001190886963 1134763704 /nfs/dbraw/zinc/76/37/04/1134763704.db2.gz HILKPOJYGNHQLE-UHFFFAOYSA-N -1 0 346.358 3.828 20 0 EHADRM COCOc1ccc(C(=O)Nc2ccc3[n-]c(=S)sc3c2)cc1 ZINC001191273164 1134838923 /nfs/dbraw/zinc/83/89/23/1134838923.db2.gz KELOLCGSYPVTEI-UHFFFAOYSA-N -1 0 346.433 3.820 20 0 EHADRM Cc1ncnc(C)c1C(=O)Nc1cc(Cl)c(C)c(Cl)c1[O-] ZINC001191322524 1134849556 /nfs/dbraw/zinc/84/95/56/1134849556.db2.gz PQZFOCHGGDWAHL-UHFFFAOYSA-N -1 0 326.183 3.667 20 0 EHADRM C[C@H]1CCC[C@H](CC(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)C1 ZINC000747111024 1134904249 /nfs/dbraw/zinc/90/42/49/1134904249.db2.gz QOHZSBUBJGQDCL-GJZGRUSLSA-N -1 0 347.480 3.636 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2Cl)nc1 ZINC001191722353 1134905214 /nfs/dbraw/zinc/90/52/14/1134905214.db2.gz LJNPXWMMXLRMHM-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM Cc1ncccc1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1Cl ZINC001191722666 1134905406 /nfs/dbraw/zinc/90/54/06/1134905406.db2.gz NLYMFMAMBJXIDH-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM Cc1c(Cl)cc(NC(=O)c2cnn(C)c2Cl)c([O-])c1Cl ZINC001191947993 1134945150 /nfs/dbraw/zinc/94/51/50/1134945150.db2.gz PPSWOLQCHBQXAQ-UHFFFAOYSA-N -1 0 334.590 3.647 20 0 EHADRM Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3cscn3)cc2)cc1 ZINC001192063082 1134963894 /nfs/dbraw/zinc/96/38/94/1134963894.db2.gz FPBRAFLXPAIRGR-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM COC(=O)c1cccc(C(F)(F)F)c1-c1ccsc1C(=O)[O-] ZINC001205579500 1134966011 /nfs/dbraw/zinc/96/60/11/1134966011.db2.gz OAOLLCAXVNOGNW-UHFFFAOYSA-N -1 0 330.283 3.919 20 0 EHADRM O=C(Nc1ccc(OC(F)F)c(Cl)c1)Nc1ncc(F)cc1[O-] ZINC001192289996 1134994531 /nfs/dbraw/zinc/99/45/31/1134994531.db2.gz CROHUULERHXDHU-UHFFFAOYSA-N -1 0 347.680 3.825 20 0 EHADRM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1cccnc1C1CCC1 ZINC001192322245 1134998089 /nfs/dbraw/zinc/99/80/89/1134998089.db2.gz QPOZKEZSDHUQPY-UHFFFAOYSA-N -1 0 337.832 3.507 20 0 EHADRM C[C@H]1CCC[C@@H](OCC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)C1 ZINC000747150679 1134999027 /nfs/dbraw/zinc/99/90/27/1134999027.db2.gz WXTXEZOKFUTDJG-SWLSCSKDSA-N -1 0 345.361 3.849 20 0 EHADRM Cc1cc(NC(=O)Nc2cc3ccc(O)cc3oc2=O)ccc1F ZINC001192356477 1135004093 /nfs/dbraw/zinc/00/40/93/1135004093.db2.gz HBDXQBGCZWAPNN-UHFFFAOYSA-N -1 0 328.299 3.590 20 0 EHADRM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cnc(Cl)cc1C ZINC001192351133 1135004113 /nfs/dbraw/zinc/00/41/13/1135004113.db2.gz LCRTWZWKOOXLRD-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(OC3CCOCC3)cc2)c(F)c1 ZINC001203293389 1135010532 /nfs/dbraw/zinc/01/05/32/1135010532.db2.gz KEVUWIDIEKZBNT-UHFFFAOYSA-N -1 0 331.343 3.825 20 0 EHADRM COC(=O)c1ccc([O-])c(C(=O)Nc2cc(Cl)cc3[nH]ccc32)c1 ZINC001192394660 1135013999 /nfs/dbraw/zinc/01/39/99/1135013999.db2.gz FVPRVJGIIQJMIN-UHFFFAOYSA-N -1 0 344.754 3.566 20 0 EHADRM COc1cc(Nc2ccc(C(=O)[O-])cc2F)c(Cl)c(OC)c1 ZINC001203293351 1135016963 /nfs/dbraw/zinc/01/69/63/1135016963.db2.gz JJFUJMQRJLBYSS-UHFFFAOYSA-N -1 0 325.723 3.938 20 0 EHADRM O=C(Nc1cc(-c2ccc(F)cc2)no1)c1c(F)ccc(F)c1[O-] ZINC001192694852 1135046320 /nfs/dbraw/zinc/04/63/20/1135046320.db2.gz PONWSPLZJDLXRG-UHFFFAOYSA-N -1 0 334.253 3.717 20 0 EHADRM O=C(c1ccc(F)c(F)c1[O-])N1CCC[C@H](Cc2ccccc2)C1 ZINC001192796826 1135055935 /nfs/dbraw/zinc/05/59/35/1135055935.db2.gz UIBVDBGHTHTHLN-CQSZACIVSA-N -1 0 331.362 3.765 20 0 EHADRM C[C@H](NC(=O)c1ccc(F)c(F)c1[O-])c1nc(-c2ccccc2)c[nH]1 ZINC001192811772 1135057680 /nfs/dbraw/zinc/05/76/80/1135057680.db2.gz UNBSFYZBJBSBOB-JTQLQIEISA-N -1 0 343.333 3.552 20 0 EHADRM COc1ccc(-n2cccc2)c(NC(=O)c2cc(F)c([O-])cc2F)c1 ZINC001192872962 1135061738 /nfs/dbraw/zinc/06/17/38/1135061738.db2.gz WHCNEDIISYJNCT-UHFFFAOYSA-N -1 0 344.317 3.722 20 0 EHADRM O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1ccc([O-])c(F)c1F ZINC001192843594 1135064388 /nfs/dbraw/zinc/06/43/88/1135064388.db2.gz ZNUTWZRPUUGBBI-ZDUSSCGKSA-N -1 0 331.240 3.704 20 0 EHADRM Cc1cnn(-c2ccc(C)cc2)c1NC(=O)c1cc(F)c([O-])cc1F ZINC001192860515 1135067807 /nfs/dbraw/zinc/06/78/07/1135067807.db2.gz WLWLOJUZZPQMML-UHFFFAOYSA-N -1 0 343.333 3.725 20 0 EHADRM C[C@H]1CC[C@H](c2ccccc2)N(C(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC000804528978 1135108298 /nfs/dbraw/zinc/10/82/98/1135108298.db2.gz PEDFJOOEFGMBSU-KBXCAEBGSA-N -1 0 347.418 3.949 20 0 EHADRM Cc1cccc(NC(=O)c2ccc(F)c([O-])c2F)c1Br ZINC001193783792 1135180656 /nfs/dbraw/zinc/18/06/56/1135180656.db2.gz FGCFHZPHUKMZBY-UHFFFAOYSA-N -1 0 342.139 3.994 20 0 EHADRM COc1cccc(-c2cc(C(=O)Nc3ccc(F)c(O)c3)c[nH]2)c1 ZINC001193854633 1135195721 /nfs/dbraw/zinc/19/57/21/1135195721.db2.gz QBZIZSZYTAKSTJ-UHFFFAOYSA-N -1 0 326.327 3.787 20 0 EHADRM CCCC[C@H](CC)COC(=O)Nc1cc(S(C)(=O)=O)ccc1[O-] ZINC001193966829 1135207737 /nfs/dbraw/zinc/20/77/37/1135207737.db2.gz CDPBNHBDWWWIGY-LBPRGKRZSA-N -1 0 343.445 3.561 20 0 EHADRM Cc1ncccc1[N-]S(=O)(=O)c1ccc(-c2cccs2)cc1 ZINC001194131388 1135229837 /nfs/dbraw/zinc/22/98/37/1135229837.db2.gz WJIQARRDQVVECF-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM O=S(=O)([N-]c1ncc(F)s1)c1ccc(-c2cccs2)cc1 ZINC001194134022 1135231104 /nfs/dbraw/zinc/23/11/04/1135231104.db2.gz PWSQHJVMWDPSAI-UHFFFAOYSA-N -1 0 340.426 3.812 20 0 EHADRM Cc1cc(C)c(NC(=O)c2ccc(C3CC3)cc2)c(S(=O)(=O)[O-])c1 ZINC001194172934 1135237381 /nfs/dbraw/zinc/23/73/81/1135237381.db2.gz VQGMEYHCESQVFC-UHFFFAOYSA-N -1 0 345.420 3.680 20 0 EHADRM O=S(=O)([N-]c1cccc(F)n1)c1ccc2c(Cl)cccc2c1 ZINC001194216225 1135245416 /nfs/dbraw/zinc/24/54/16/1135245416.db2.gz MYENXUDOPMRWED-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM CCc1nccnc1[N-]S(=O)(=O)c1cccc2c(Cl)cccc21 ZINC001194411032 1135265693 /nfs/dbraw/zinc/26/56/93/1135265693.db2.gz IEKGWZIGAWTHFN-UHFFFAOYSA-N -1 0 347.827 3.646 20 0 EHADRM Cn1ncc(NC(=O)c2cccc(Cl)c2[O-])c1-c1ccccc1 ZINC000805457195 1135274556 /nfs/dbraw/zinc/27/45/56/1135274556.db2.gz ZBKFXWTYTUVOAF-UHFFFAOYSA-N -1 0 327.771 3.698 20 0 EHADRM CC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1c(C)cccc1C ZINC001194639045 1135295480 /nfs/dbraw/zinc/29/54/80/1135295480.db2.gz PDDJUGIPWHHPGI-UHFFFAOYSA-N -1 0 337.828 3.960 20 0 EHADRM COC(=O)c1cc(C)c(C)cc1[N-]S(=O)(=O)c1c(C)cccc1C ZINC001194642629 1135296517 /nfs/dbraw/zinc/29/65/17/1135296517.db2.gz KETUNBLLUXLTPT-UHFFFAOYSA-N -1 0 347.436 3.508 20 0 EHADRM CC(C)c1cc(F)ccc1[N-]S(=O)(=O)c1cccc2nccnc21 ZINC001194980391 1135350747 /nfs/dbraw/zinc/35/07/47/1135350747.db2.gz CQYGKXTXYMVZEH-UHFFFAOYSA-N -1 0 345.399 3.693 20 0 EHADRM COC(=O)c1cccc(C)c1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC001195156374 1135383211 /nfs/dbraw/zinc/38/32/11/1135383211.db2.gz JNRJSWNFDFIAHG-UHFFFAOYSA-N -1 0 347.436 3.706 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc2cnccc2c1 ZINC001195268115 1135402632 /nfs/dbraw/zinc/40/26/32/1135402632.db2.gz PNLNYYYZVQUPIP-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1ccc(O)c(C(=O)Nc2ccc3nc(C(F)(F)F)ccc3c2)n1 ZINC001195326073 1135406296 /nfs/dbraw/zinc/40/62/96/1135406296.db2.gz LTCWDCQYKPHJNC-UHFFFAOYSA-N -1 0 347.296 3.915 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cccc2c1CCCO2 ZINC001195316701 1135412407 /nfs/dbraw/zinc/41/24/07/1135412407.db2.gz UMPVIVDSAVMBFU-UHFFFAOYSA-N -1 0 337.828 3.774 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cc(O)cc(Cl)c1 ZINC001195316492 1135412461 /nfs/dbraw/zinc/41/24/61/1135412461.db2.gz DREDUCSNWFZOSW-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM C[C@@H](C(=O)Nc1cc(Cl)c([O-])cc1F)N1CCc2ccccc21 ZINC000805256098 1135419070 /nfs/dbraw/zinc/41/90/70/1135419070.db2.gz ZUOYGIYZIZGWAW-JTQLQIEISA-N -1 0 334.778 3.574 20 0 EHADRM CCn1cnnc1-c1ccccc1NC(=O)c1cccc(Cl)c1[O-] ZINC000775659760 1135432788 /nfs/dbraw/zinc/43/27/88/1135432788.db2.gz LWNHRQJBUHSTPD-UHFFFAOYSA-N -1 0 342.786 3.576 20 0 EHADRM CCC(=O)Nc1ccc(C)c(NC(=O)c2cccc(Cl)c2[O-])c1 ZINC000775660780 1135437343 /nfs/dbraw/zinc/43/73/43/1135437343.db2.gz YMMUNLUWSPEANL-UHFFFAOYSA-N -1 0 332.787 3.955 20 0 EHADRM O=c1[n-]c(F)c(Cl)c(NC(=S)NCc2ccccc2)c1Cl ZINC001195598455 1135440679 /nfs/dbraw/zinc/44/06/79/1135440679.db2.gz YJSXRPDJXUOFOM-UHFFFAOYSA-N -1 0 346.214 3.720 20 0 EHADRM O=S(=O)([N-]c1cccnc1-c1ccccc1)c1ccc(Cl)cn1 ZINC001196204493 1135530581 /nfs/dbraw/zinc/53/05/81/1135530581.db2.gz WFVOFUGBGTYLIA-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)c1cccc(Cl)c1[O-] ZINC000775698525 1135532079 /nfs/dbraw/zinc/53/20/79/1135532079.db2.gz VDFVPIJEZRMJNR-CVEARBPZSA-N -1 0 331.799 3.696 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2O)c(F)c1 ZINC001196383165 1135552553 /nfs/dbraw/zinc/55/25/53/1135552553.db2.gz ORMZWOAVILGFAQ-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM Cc1nc2cc(Cl)c(NC(=O)c3cc(Cl)ncc3[O-])cc2o1 ZINC001196395719 1135554597 /nfs/dbraw/zinc/55/45/97/1135554597.db2.gz JIIJGDJUXFYFDL-UHFFFAOYSA-N -1 0 338.150 3.796 20 0 EHADRM CNc1ccc(C(F)(F)F)cc1NC(=O)c1cc(Cl)ncc1[O-] ZINC001196395046 1135554631 /nfs/dbraw/zinc/55/46/31/1135554631.db2.gz BDLZQRJJFSQGBN-UHFFFAOYSA-N -1 0 345.708 3.753 20 0 EHADRM Nc1ccc(-c2ccc(NC(=O)c3cc(Cl)ncc3[O-])cc2)cc1 ZINC001196396811 1135555240 /nfs/dbraw/zinc/55/52/40/1135555240.db2.gz XHCLIIBVJORIGB-UHFFFAOYSA-N -1 0 339.782 3.942 20 0 EHADRM Cc1noc(C)c1[N-]S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC001196417353 1135561051 /nfs/dbraw/zinc/56/10/51/1135561051.db2.gz VQCPDFXRRQIOKN-UHFFFAOYSA-N -1 0 336.800 3.899 20 0 EHADRM Cc1cccc2c1[C@H](NC(=O)c1cc(Cl)c(F)cc1[O-])CCO2 ZINC001196466439 1135563971 /nfs/dbraw/zinc/56/39/71/1135563971.db2.gz GEGUVUMKARCIAA-CYBMUJFWSA-N -1 0 335.762 3.747 20 0 EHADRM COc1ccc(F)c(S(=O)(=O)[N-]c2csc3ccccc23)c1 ZINC001196723213 1135599365 /nfs/dbraw/zinc/59/93/65/1135599365.db2.gz WFUFPBTWYZIAAE-UHFFFAOYSA-N -1 0 337.397 3.850 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N2CC[C@H](c3ccccc3)C2)cc1 ZINC001197085252 1135643911 /nfs/dbraw/zinc/64/39/11/1135643911.db2.gz MQPVRTOOOHGLAH-HNNXBMFYSA-N -1 0 326.421 3.571 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2cncc(Cl)c2Cl)cc1 ZINC001197076230 1135647325 /nfs/dbraw/zinc/64/73/25/1135647325.db2.gz BRXIPWXOQNINLO-UHFFFAOYSA-N -1 0 342.207 3.896 20 0 EHADRM C[C@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1F ZINC001197129449 1135648082 /nfs/dbraw/zinc/64/80/82/1135648082.db2.gz ZPONYZYLONNDFN-VIFPVBQESA-N -1 0 336.363 3.711 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2cccc3ncc(F)cc32)cc1 ZINC001197114463 1135651361 /nfs/dbraw/zinc/65/13/61/1135651361.db2.gz BNOKNTLOBYQAGY-UHFFFAOYSA-N -1 0 341.367 3.881 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NCCCCOc2ccccc2)cc1 ZINC001197148567 1135654684 /nfs/dbraw/zinc/65/46/84/1135654684.db2.gz YZRMHWLNGYMEAX-UHFFFAOYSA-N -1 0 344.436 3.530 20 0 EHADRM O=S(=O)(Cc1cccnc1)[N-]c1cccc2c3ccccc3oc21 ZINC001197464332 1135693442 /nfs/dbraw/zinc/69/34/42/1135693442.db2.gz JDYXNSBXQRQXMW-UHFFFAOYSA-N -1 0 338.388 3.923 20 0 EHADRM O=S(=O)(Cc1c(F)cccc1F)[N-]c1cccc2ncsc21 ZINC001197600496 1135713197 /nfs/dbraw/zinc/71/31/97/1135713197.db2.gz PLMWWFNZYGIUJA-UHFFFAOYSA-N -1 0 340.376 3.516 20 0 EHADRM O=S(=O)(Cc1cccc(Cl)c1Cl)[N-][C@@H]1CCCC1(F)F ZINC001197766358 1135730267 /nfs/dbraw/zinc/73/02/67/1135730267.db2.gz ODHXHICWGSZFRP-SNVBAGLBSA-N -1 0 344.210 3.601 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2ccc(OCC(C)(C)C)cc2)c1 ZINC001198009920 1135761397 /nfs/dbraw/zinc/76/13/97/1135761397.db2.gz ZKEKVQAHCHXTNO-UHFFFAOYSA-N -1 0 334.441 3.616 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)cc1 ZINC000809065009 1135770470 /nfs/dbraw/zinc/77/04/70/1135770470.db2.gz RXAKDLACRUHABL-RCCFBDPRSA-N -1 0 349.496 3.548 20 0 EHADRM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc2ccccc2c1 ZINC001198693662 1135844804 /nfs/dbraw/zinc/84/48/04/1135844804.db2.gz TZTFLOZPDLMJTQ-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM Cc1cc(NS(=O)(=O)c2ccccc2C(=O)[O-])ccc1C(C)C ZINC001198778565 1135856881 /nfs/dbraw/zinc/85/68/81/1135856881.db2.gz GZWUYFPLVGLNGF-UHFFFAOYSA-N -1 0 333.409 3.617 20 0 EHADRM CCOc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(OC)cc1C ZINC001198940622 1135868280 /nfs/dbraw/zinc/86/82/80/1135868280.db2.gz VJSIZPOXBNPJSM-UHFFFAOYSA-N -1 0 335.425 3.512 20 0 EHADRM O=C([O-])c1c(F)cc(Nc2ccnn2Cc2ccc(F)cc2)cc1F ZINC001203319677 1135892850 /nfs/dbraw/zinc/89/28/50/1135892850.db2.gz UWAIYXXQGNSMPA-UHFFFAOYSA-N -1 0 347.296 3.791 20 0 EHADRM Cc1c(NC(=O)c2cccc(Br)c2[O-])cccc1N(C)C ZINC000775988470 1135911405 /nfs/dbraw/zinc/91/14/05/1135911405.db2.gz YAAIXFJIIKSDGP-UHFFFAOYSA-N -1 0 349.228 3.781 20 0 EHADRM O=S(=O)([N-][C@@H]1CCC(F)(F)C1)c1cc(Cl)c(Cl)cc1F ZINC001201244074 1135998926 /nfs/dbraw/zinc/99/89/26/1135998926.db2.gz GMUJKMSSGOJNBA-ZCFIWIBFSA-N -1 0 348.173 3.599 20 0 EHADRM O=S(=O)([N-]c1ccoc1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC001201347244 1136010590 /nfs/dbraw/zinc/01/05/90/1136010590.db2.gz GFYKXJLPGFEFES-UHFFFAOYSA-N -1 0 325.695 3.753 20 0 EHADRM CC(C)(C)NC(=O)c1ccccc1Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203324760 1136043381 /nfs/dbraw/zinc/04/33/81/1136043381.db2.gz PLJQGSXGXIVCJE-UHFFFAOYSA-N -1 0 348.349 3.935 20 0 EHADRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1cc(C2CCCC2)no1 ZINC001201728410 1136055602 /nfs/dbraw/zinc/05/56/02/1136055602.db2.gz LLJVDXNUSBXSBD-UHFFFAOYSA-N -1 0 347.849 3.551 20 0 EHADRM Cc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1Br ZINC001201773554 1136061696 /nfs/dbraw/zinc/06/16/96/1136061696.db2.gz ULGBWQNJCILILC-UHFFFAOYSA-N -1 0 344.205 3.697 20 0 EHADRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cc(F)ccc2O)c(C)c1C ZINC001201799794 1136064044 /nfs/dbraw/zinc/06/40/44/1136064044.db2.gz OVZNAYNBZIIPIS-UHFFFAOYSA-N -1 0 337.416 3.874 20 0 EHADRM C[C@H](CNC(=O)c1cc(C(=O)[O-])ccc1Cl)Cc1cccs1 ZINC000811822721 1136145389 /nfs/dbraw/zinc/14/53/89/1136145389.db2.gz KIUKTEPSPIOMBI-JTQLQIEISA-N -1 0 337.828 3.708 20 0 EHADRM CC(C)(C(=O)[N-]OCc1cncc(C(F)(F)F)c1)c1ccccc1 ZINC000812303552 1136192865 /nfs/dbraw/zinc/19/28/65/1136192865.db2.gz BWYGIYLGRYXPSZ-UHFFFAOYSA-N -1 0 338.329 3.626 20 0 EHADRM O=S(=O)([N-]c1ccnc(Cl)c1)c1ccc(C(F)(F)F)s1 ZINC000812317227 1136194174 /nfs/dbraw/zinc/19/41/74/1136194174.db2.gz GGZQLBXNDAXRET-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)[N-]OC1CCC1 ZINC000812792423 1136248210 /nfs/dbraw/zinc/24/82/10/1136248210.db2.gz ZLPKNLMOWOCUHH-SNVBAGLBSA-N -1 0 336.844 3.969 20 0 EHADRM CC1(C)CC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000850838905 1136310448 /nfs/dbraw/zinc/31/04/48/1136310448.db2.gz XRLOVXMMPZEJTD-QGZVFWFLSA-N -1 0 343.448 3.595 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(CF)cc1 ZINC000851045616 1136332090 /nfs/dbraw/zinc/33/20/90/1136332090.db2.gz SHWWGPMLGPWOBK-QGZVFWFLSA-N -1 0 349.427 3.613 20 0 EHADRM CC1=CC[C@](C)(C(=O)[N-]S(=O)(=O)[C@H]2CCCc3ccccc32)CC1 ZINC000851060652 1136333249 /nfs/dbraw/zinc/33/32/49/1136333249.db2.gz SELVIIUPWLZVBG-HKUYNNGSSA-N -1 0 347.480 3.647 20 0 EHADRM CCC[C@](C)(CC)C(=O)[N-]S(=O)(=O)c1cccc2c(C)ccnc21 ZINC000851139879 1136341550 /nfs/dbraw/zinc/34/15/50/1136341550.db2.gz SHTWSIDZRGURQI-SFHVURJKSA-N -1 0 348.468 3.565 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cc(C)c(C)s1 ZINC000814019001 1136386691 /nfs/dbraw/zinc/38/66/91/1136386691.db2.gz TXOUQERJHJQDAR-OAHLLOKOSA-N -1 0 337.466 3.576 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cc(C)c(C)s1 ZINC000814018997 1136386817 /nfs/dbraw/zinc/38/68/17/1136386817.db2.gz TXOUQERJHJQDAR-HNNXBMFYSA-N -1 0 337.466 3.576 20 0 EHADRM CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)[C@H](CC)c1ccccc1 ZINC000814019388 1136387024 /nfs/dbraw/zinc/38/70/24/1136387024.db2.gz JBXLXLYLIXSAAD-GOEBONIOSA-N -1 0 325.474 3.800 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H](CC)c1ccccc1 ZINC000814020857 1136387143 /nfs/dbraw/zinc/38/71/43/1136387143.db2.gz WSUVEINDDGEVRB-ZWKOTPCHSA-N -1 0 345.464 3.778 20 0 EHADRM CC[C@H](CC(=O)[N-]S(=O)(=O)[C@@H](CC)c1ccccc1)C(C)C ZINC000814022939 1136387396 /nfs/dbraw/zinc/38/73/96/1136387396.db2.gz SQWSALQICHJXKU-ZBFHGGJFSA-N -1 0 325.474 3.656 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2ccc(/C=C\C(=O)[O-])o2)C1 ZINC000851603647 1136395717 /nfs/dbraw/zinc/39/57/17/1136395717.db2.gz CQOGKKTZAJIOFH-LHPGRMCESA-N -1 0 343.354 3.740 20 0 EHADRM CC1(c2ccccc2)CCN(C(=O)c2ccc(/C=C\C(=O)[O-])o2)CC1 ZINC000851602971 1136395726 /nfs/dbraw/zinc/39/57/26/1136395726.db2.gz FMTCQUIYWVEYPS-NTMALXAHSA-N -1 0 339.391 3.571 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)C[C@]12CCCC[C@H]1C2(F)F ZINC000851601210 1136395851 /nfs/dbraw/zinc/39/58/51/1136395851.db2.gz PTAVVBSMFUHLPK-CZUORRHYSA-N -1 0 331.403 3.743 20 0 EHADRM CCC[C@H](CNC(=O)c1cccc(SC(F)(F)F)c1)C(=O)[O-] ZINC000851606216 1136396074 /nfs/dbraw/zinc/39/60/74/1136396074.db2.gz MFLJBNCJYRQOTK-SNVBAGLBSA-N -1 0 335.347 3.529 20 0 EHADRM C[C@@H]1CN(C(=O)Cc2ccc(C3CCCCC3)cc2)CC[C@H]1C(=O)[O-] ZINC000851605687 1136396233 /nfs/dbraw/zinc/39/62/33/1136396233.db2.gz MDGKRMZGMKMHMA-DNVCBOLYSA-N -1 0 343.467 3.846 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000851624434 1136396863 /nfs/dbraw/zinc/39/68/63/1136396863.db2.gz DGJJWUJUKXOHNB-CJNGLKHVSA-N -1 0 344.238 3.686 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)c2cccc(SC(F)(F)F)c2)C1 ZINC000851694373 1136399614 /nfs/dbraw/zinc/39/96/14/1136399614.db2.gz GPNFCRWWYABXNX-SNVBAGLBSA-N -1 0 347.358 3.625 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1cccc(SC(F)(F)F)c1)C1CCC1 ZINC000852961315 1136494370 /nfs/dbraw/zinc/49/43/70/1136494370.db2.gz KZMWZSWNDHNOIH-GFCCVEGCSA-N -1 0 347.358 3.529 20 0 EHADRM COc1ccccc1C/C(C)=C\C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000776647049 1136514340 /nfs/dbraw/zinc/51/43/40/1136514340.db2.gz YZQGMTRMKLAAJP-QBFSEMIESA-N -1 0 339.391 3.829 20 0 EHADRM CC1CCC(=CC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2F)CC1 ZINC000776657799 1136527315 /nfs/dbraw/zinc/52/73/15/1136527315.db2.gz DTMRRFXFKDEFRH-WVQRXBFSSA-N -1 0 337.366 3.733 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1coc2ccccc12)c1ccc(F)cc1F ZINC000776659453 1136527346 /nfs/dbraw/zinc/52/73/46/1136527346.db2.gz QFHGWVWBQOVKSE-HNNXBMFYSA-N -1 0 345.301 3.657 20 0 EHADRM CCCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2F)cc1 ZINC000776658972 1136527630 /nfs/dbraw/zinc/52/76/30/1136527630.db2.gz MCSQJYKVQHWSNU-QGZVFWFLSA-N -1 0 347.361 3.863 20 0 EHADRM COc1cccc(CSCCC[N-]C(=O)C(F)(F)F)c1Cl ZINC000853779187 1136563164 /nfs/dbraw/zinc/56/31/64/1136563164.db2.gz JDUYYVSUFDCTSF-UHFFFAOYSA-N -1 0 341.782 3.650 20 0 EHADRM O=C(CC1CCCC1)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000112159148 1136608540 /nfs/dbraw/zinc/60/85/40/1136608540.db2.gz KFGIOBDYGBGXSI-UHFFFAOYSA-N -1 0 343.448 3.739 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CC[C@@H]2CC2(Cl)Cl)c1 ZINC000854576527 1136629191 /nfs/dbraw/zinc/62/91/91/1136629191.db2.gz NUECXLYOXMEMFX-SNVBAGLBSA-N -1 0 330.211 3.897 20 0 EHADRM O=C([N-]OCCC1CC1)C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000815793100 1136640950 /nfs/dbraw/zinc/64/09/50/1136640950.db2.gz IMLKIDZSIRMRLT-UHFFFAOYSA-N -1 0 348.468 3.508 20 0 EHADRM C[C@@H](CCCc1cccnc1)NC(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000854907647 1136652731 /nfs/dbraw/zinc/65/27/31/1136652731.db2.gz LPJGMIMYAKZZFP-LBPRGKRZSA-N -1 0 341.436 3.653 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H](C)C(C)(C)C ZINC000816107804 1136671167 /nfs/dbraw/zinc/67/11/67/1136671167.db2.gz QZRIFENQEVXDAR-HIFRSBDPSA-N -1 0 325.474 3.512 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C=C(C1CC1)C1CC1 ZINC000816110375 1136677754 /nfs/dbraw/zinc/67/77/54/1136677754.db2.gz XZZUIKHQMHGMER-IBGZPJMESA-N -1 0 347.480 3.576 20 0 EHADRM CCC(CC)[C@@H](C)C(=O)[N-]S(=O)(=O)[C@H](c1ccccc1)C(C)C ZINC000816112489 1136677924 /nfs/dbraw/zinc/67/79/24/1136677924.db2.gz VZHLBACZRFLYMR-PBHICJAKSA-N -1 0 339.501 3.902 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000855600657 1136712354 /nfs/dbraw/zinc/71/23/54/1136712354.db2.gz LEPKJFADXCWBLV-MRXNPFEDSA-N -1 0 347.798 3.633 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1ccccc1NC(=O)C1CC1 ZINC000816661367 1136745986 /nfs/dbraw/zinc/74/59/86/1136745986.db2.gz LIMMLGXKGMHWDP-UHFFFAOYSA-N -1 0 348.761 3.786 20 0 EHADRM O=C([N-]Oc1ccccc1)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000816683848 1136748463 /nfs/dbraw/zinc/74/84/63/1136748463.db2.gz BPGDCNOHJWPCFA-KBPBESRZSA-N -1 0 337.297 3.799 20 0 EHADRM CCCCCc1nnc(NC(=O)c2ccc3oc(=S)[n-]c3c2)s1 ZINC000816843041 1136760434 /nfs/dbraw/zinc/76/04/34/1136760434.db2.gz MQELRIDFUOMERB-UHFFFAOYSA-N -1 0 348.453 3.953 20 0 EHADRM Cc1csc(CCCCNC(=O)c2ccc3oc(=S)[n-]c3c2)n1 ZINC000816916565 1136765808 /nfs/dbraw/zinc/76/58/08/1136765808.db2.gz KNNHLOHLYQEZQF-UHFFFAOYSA-N -1 0 347.465 3.634 20 0 EHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCS[C@H]2CCCC[C@@H]21 ZINC000816945823 1136766088 /nfs/dbraw/zinc/76/60/88/1136766088.db2.gz QILZVEWCKRCPJW-JSGCOSHPSA-N -1 0 334.466 3.617 20 0 EHADRM CC[C@@H](C)CO[N-]C(=O)C1(c2ccccc2Br)CC1 ZINC000816981077 1136769861 /nfs/dbraw/zinc/76/98/61/1136769861.db2.gz ZRBMXBINTMRHLI-LLVKDONJSA-N -1 0 326.234 3.575 20 0 EHADRM O=C(CSCc1ccc(Br)cc1)[N-]OCCC1CC1 ZINC000817413607 1136806308 /nfs/dbraw/zinc/80/63/08/1136806308.db2.gz WMAJINIISFSOAW-UHFFFAOYSA-N -1 0 344.274 3.530 20 0 EHADRM CCCC[C@H](C(=O)[N-]S(=O)(=O)c1cccc2cnccc21)C(C)C ZINC000857010905 1136831382 /nfs/dbraw/zinc/83/13/82/1136831382.db2.gz ASPRTYNGSGWIHL-HNNXBMFYSA-N -1 0 348.468 3.502 20 0 EHADRM [O-]c1c(F)cc(-c2noc(C3(C(F)F)CC3)n2)cc1Br ZINC000857094400 1136843871 /nfs/dbraw/zinc/84/38/71/1136843871.db2.gz WLSXQALDDYGPRD-UHFFFAOYSA-N -1 0 349.106 3.641 20 0 EHADRM C[C@H]1CC[C@H](C)N(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])C1 ZINC000820447584 1136992547 /nfs/dbraw/zinc/99/25/47/1136992547.db2.gz YOXCIWJGPRAPNH-STQMWFEESA-N -1 0 327.380 3.725 20 0 EHADRM O=C(Nc1ccc2[nH]c(C3CCC3)nc2c1)c1cccc(F)c1[O-] ZINC001136470988 1137033082 /nfs/dbraw/zinc/03/30/82/1137033082.db2.gz DAYABHWSAASFFX-UHFFFAOYSA-N -1 0 325.343 3.927 20 0 EHADRM COc1ccc2cc(NC(=O)c3ccc(Cl)cc3[O-])ccc2n1 ZINC001136576276 1137057549 /nfs/dbraw/zinc/05/75/49/1137057549.db2.gz CMWSMAYCYUSODL-UHFFFAOYSA-N -1 0 328.755 3.855 20 0 EHADRM CC[C@@H]1CCc2nc(NC(=O)c3nc[nH]c3C(F)(F)F)sc2C1 ZINC000822807216 1137075027 /nfs/dbraw/zinc/07/50/27/1137075027.db2.gz PMMDUBXOHNOWMP-SSDOTTSWSA-N -1 0 344.362 3.652 20 0 EHADRM CCc1ccc(C(=O)N[C@](C)(CC(=O)[O-])c2cccc(F)c2)s1 ZINC000823341022 1137095655 /nfs/dbraw/zinc/09/56/55/1137095655.db2.gz JFWREAWPHPPBSX-QGZVFWFLSA-N -1 0 335.400 3.570 20 0 EHADRM CC(C)COc1ccc(NC(=O)c2ncc3ccccc3c2[O-])cn1 ZINC001136751273 1137106945 /nfs/dbraw/zinc/10/69/45/1137106945.db2.gz BCGITRJMBGBSQA-UHFFFAOYSA-N -1 0 337.379 3.623 20 0 EHADRM CCC[C@@H]1SCCN1C(=O)c1cc(Br)cc(F)c1[O-] ZINC001136820448 1137123846 /nfs/dbraw/zinc/12/38/46/1137123846.db2.gz VNZCJXLNCKVUSC-NSHDSACASA-N -1 0 348.237 3.609 20 0 EHADRM Cc1cc(NC(=O)c2ccc3[n-]c(=S)oc3c2)ccc1N(C)C ZINC000118875887 1137138128 /nfs/dbraw/zinc/13/81/28/1137138128.db2.gz ZBJOKQCOCKHHSZ-UHFFFAOYSA-N -1 0 327.409 3.743 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)N3CCC[C@H](CCF)C3)c([O-])c2)o1 ZINC000824560990 1137142948 /nfs/dbraw/zinc/14/29/48/1137142948.db2.gz QKUJSHAUCUPEAR-CYBMUJFWSA-N -1 0 345.370 3.677 20 0 EHADRM CC[C@H](C)C[C@@H](C)NC(=O)c1nn(-c2cc(C)ccc2F)cc1[O-] ZINC001136966411 1137158733 /nfs/dbraw/zinc/15/87/33/1137158733.db2.gz BNAKDGPZRIYMJI-WCQYABFASA-N -1 0 333.407 3.580 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863243855 1137176917 /nfs/dbraw/zinc/17/69/17/1137176917.db2.gz UTXMMUHBGZVYFU-CWRNSKLLSA-N -1 0 327.811 3.921 20 0 EHADRM CCN(CC)Cc1csc(NC(=O)c2cc(Cl)ccc2[O-])n1 ZINC000844132075 1137200073 /nfs/dbraw/zinc/20/00/73/1137200073.db2.gz REXUBMBQQLFCQM-UHFFFAOYSA-N -1 0 339.848 3.596 20 0 EHADRM C[C@H](CCc1ccc(F)cc1)C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000864098608 1137214695 /nfs/dbraw/zinc/21/46/95/1137214695.db2.gz OEEAXYQZYVMHNN-WCZJQEMASA-N -1 0 347.430 3.639 20 0 EHADRM CCc1ccc(CN(C(=O)/C=C/c2cc(C(=O)[O-])co2)C2CC2)cc1 ZINC000864102089 1137215022 /nfs/dbraw/zinc/21/50/22/1137215022.db2.gz DKCYCHCIEUAHHR-MDZDMXLPSA-N -1 0 339.391 3.745 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(F)cc2OCC2CC2)cc1C(=O)[O-] ZINC000864111658 1137215838 /nfs/dbraw/zinc/21/58/38/1137215838.db2.gz KKHYBNCCCRICAY-UHFFFAOYSA-N -1 0 343.354 3.873 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)/C=C/c1ccsc1C(F)(F)F ZINC000864118699 1137216090 /nfs/dbraw/zinc/21/60/90/1137216090.db2.gz LKIMVJHRUPPHDR-MUBLQREKSA-N -1 0 335.347 3.540 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)c1 ZINC000864134699 1137216997 /nfs/dbraw/zinc/21/69/97/1137216997.db2.gz AYRZXZGWWFMZTA-ZWKOTPCHSA-N -1 0 341.382 3.975 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)CCCCCCSC ZINC000864145719 1137217112 /nfs/dbraw/zinc/21/71/12/1137217112.db2.gz PZXVGTSYQBOYLR-UHFFFAOYSA-N -1 0 325.430 3.645 20 0 EHADRM CCC[C@@H](CNC(=O)CCc1ccc(F)c2ccccc12)C(=O)[O-] ZINC000864148314 1137217169 /nfs/dbraw/zinc/21/71/69/1137217169.db2.gz GKPYCMSHDWVLGL-AWEZNQCLSA-N -1 0 331.387 3.529 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC000864155404 1137217371 /nfs/dbraw/zinc/21/73/71/1137217371.db2.gz QKHDBUUDZXUTIB-FXAWDEMLSA-N -1 0 331.456 3.509 20 0 EHADRM Cc1ccc([C@@H]2CCN(C(=O)/C=C/c3ccc(C(=O)[O-])o3)C2)c(C)c1 ZINC000864158537 1137217593 /nfs/dbraw/zinc/21/75/93/1137217593.db2.gz MXUGFVJRUVBBJR-SBJJXXPASA-N -1 0 339.391 3.624 20 0 EHADRM CC[C@@H](CCc1ccccc1)NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000864169528 1137217667 /nfs/dbraw/zinc/21/76/67/1137217667.db2.gz QYEVLVYQMVJVQB-HVCHUGMYSA-N -1 0 327.380 3.519 20 0 EHADRM COc1cccc(Nc2ccc(NC(=O)CC(C)(C)C(=O)[O-])cc2)c1 ZINC000864160391 1137217707 /nfs/dbraw/zinc/21/77/07/1137217707.db2.gz ATPRNDIRQNKQKV-UHFFFAOYSA-N -1 0 342.395 3.878 20 0 EHADRM C/C(=C/C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F)C(C)(C)C ZINC000864171641 1137217714 /nfs/dbraw/zinc/21/77/14/1137217714.db2.gz ZYTSIKSKIBMQKX-YFHOEESVSA-N -1 0 341.354 3.960 20 0 EHADRM Cc1cccc(CN(Cc2ccco2)C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC000864177944 1137217812 /nfs/dbraw/zinc/21/78/12/1137217812.db2.gz PKDPOLLYABEUID-SJORKVTESA-N -1 0 341.407 3.618 20 0 EHADRM Cc1ccc(C(=O)N2CCc3cccc(F)c3[C@@H]2C)cc1C(=O)[O-] ZINC000864177810 1137217923 /nfs/dbraw/zinc/21/79/23/1137217923.db2.gz MQALFSBXGKHQDK-LBPRGKRZSA-N -1 0 327.355 3.592 20 0 EHADRM C[C@@H](C1CC1)N(C(=O)c1ccc(/C=C\C(=O)[O-])o1)c1ccccc1 ZINC000864181152 1137218118 /nfs/dbraw/zinc/21/81/18/1137218118.db2.gz KSWWMMMNHXFSDH-UKVQZPPCSA-N -1 0 325.364 3.823 20 0 EHADRM Cc1cscc1C(=O)N[C@@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000864196023 1137218634 /nfs/dbraw/zinc/21/86/34/1137218634.db2.gz MCIRMUNTRWZQIO-INIZCTEOSA-N -1 0 337.828 3.526 20 0 EHADRM Cc1ccc(SCCC(=O)N[C@](C)(CC(=O)[O-])C2CC2)cc1C ZINC000864197610 1137218666 /nfs/dbraw/zinc/21/86/66/1137218666.db2.gz HPPJCUDRNPBKOF-GOSISDBHSA-N -1 0 335.469 3.545 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)/C=C\c1csc(C(F)(F)F)c1)C1CC1 ZINC000864201364 1137218849 /nfs/dbraw/zinc/21/88/49/1137218849.db2.gz SXXPFNGGNCWWGE-FWWGQDLDSA-N -1 0 347.358 3.540 20 0 EHADRM COc1ccc2sc(C(=O)N[C@](C)(CC(=O)[O-])C3CC3)c(C)c2c1 ZINC000864199711 1137218936 /nfs/dbraw/zinc/21/89/36/1137218936.db2.gz WAJJTNHIHJOJAP-GOSISDBHSA-N -1 0 347.436 3.592 20 0 EHADRM CC(C)c1ccc(SCC(=O)N[C@@](C)(CC(=O)[O-])C2CC2)cc1 ZINC000864198728 1137218952 /nfs/dbraw/zinc/21/89/52/1137218952.db2.gz LGOAUOIVOMGSAM-SFHVURJKSA-N -1 0 335.469 3.662 20 0 EHADRM Cc1sc(C)c2c1[n-]c([C@H]1CC(=O)N(c3ccccc3)C1)nc2=O ZINC000864354948 1137223278 /nfs/dbraw/zinc/22/32/78/1137223278.db2.gz JTCBRQFOUJEZCN-LBPRGKRZSA-N -1 0 339.420 3.534 20 0 EHADRM CCc1csc(N2CCC(c3nc(C)c(C(=O)[O-])s3)CC2)n1 ZINC000864515382 1137231252 /nfs/dbraw/zinc/23/12/52/1137231252.db2.gz QMKQEKUOPVYXNI-UHFFFAOYSA-N -1 0 337.470 3.553 20 0 EHADRM COc1ccc(CN[C@@H](C)c2ncc(C(=O)[O-])s2)cc1C(C)(C)C ZINC000864516015 1137231332 /nfs/dbraw/zinc/23/13/32/1137231332.db2.gz ILAFZXPRENJPFH-NSHDSACASA-N -1 0 348.468 3.998 20 0 EHADRM Cc1nc(C2CCN(c3ccncc3Cl)CC2)sc1C(=O)[O-] ZINC000864515169 1137231415 /nfs/dbraw/zinc/23/14/15/1137231415.db2.gz JGYWDWZMDRMENI-UHFFFAOYSA-N -1 0 337.832 3.582 20 0 EHADRM Cc1ccc(C[C@H](NCc2nc(C(C)(C)C)cs2)C(=O)[O-])cc1C ZINC000864516472 1137231514 /nfs/dbraw/zinc/23/15/14/1137231514.db2.gz NRVAWTNVWVZNKH-HNNXBMFYSA-N -1 0 346.496 3.843 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)Cc1ccccc1OC(C)C ZINC000120230306 1137245330 /nfs/dbraw/zinc/24/53/30/1137245330.db2.gz NKXTXDARYNQZCZ-UHFFFAOYSA-N -1 0 327.380 3.662 20 0 EHADRM CC[C@H](OCCOC(=O)c1c(F)cc([O-])cc1F)c1ccccc1 ZINC000845119496 1137274965 /nfs/dbraw/zinc/27/49/65/1137274965.db2.gz CLURVPKNHBMJFN-INIZCTEOSA-N -1 0 336.334 3.995 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)sc2c1)c1c[nH]c2ncccc12 ZINC001149372455 1137280948 /nfs/dbraw/zinc/28/09/48/1137280948.db2.gz ASWIRJNDJRGMGP-UHFFFAOYSA-N -1 0 326.406 3.714 20 0 EHADRM CC(C)(Br)C(=O)Nc1c(Cl)ccc([O-])c1Cl ZINC001144554266 1137308591 /nfs/dbraw/zinc/30/85/91/1137308591.db2.gz KFTXKHCCNPCQGS-UHFFFAOYSA-N -1 0 327.005 3.811 20 0 EHADRM CCC1(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)oc2ccccc23)CC1 ZINC000845828434 1137313279 /nfs/dbraw/zinc/31/32/79/1137313279.db2.gz RAPVWWXZXDCURZ-UHFFFAOYSA-N -1 0 343.404 3.581 20 0 EHADRM O=C(Nc1c(Cl)ccc([O-])c1Cl)C1(Br)CCC1 ZINC001144746407 1137342158 /nfs/dbraw/zinc/34/21/58/1137342158.db2.gz AZMBHBJSVDWDFE-UHFFFAOYSA-N -1 0 339.016 3.955 20 0 EHADRM O=C([O-])/C=C\c1cnc(/C=C\c2ccnn2-c2ccc(F)cc2)s1 ZINC000794941226 1137373303 /nfs/dbraw/zinc/37/33/03/1137373303.db2.gz KYIWUJGMAVKUHR-SFECMWDFSA-N -1 0 341.367 3.736 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000846968059 1137379912 /nfs/dbraw/zinc/37/99/12/1137379912.db2.gz POSJXTVLXUHBLX-APHBMKBZSA-N -1 0 337.847 3.591 20 0 EHADRM CN(C(=O)c1ccccc1O)[C@@H](CO)c1cccc(Cl)c1Cl ZINC001146296870 1137388490 /nfs/dbraw/zinc/38/84/90/1137388490.db2.gz BIZIJCCFEHQACC-ZDUSSCGKSA-N -1 0 340.206 3.505 20 0 EHADRM Cc1ccccc1-n1nccc1NC(=O)c1ccc(Cl)c([O-])c1 ZINC001146525978 1137391310 /nfs/dbraw/zinc/39/13/10/1137391310.db2.gz HIGXSHKCSSEOHM-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM Cc1ccc(/C=C\S(=O)(=O)Nc2c(C)cc(C)cc2C(=O)[O-])cc1 ZINC000207177909 1137397356 /nfs/dbraw/zinc/39/73/56/1137397356.db2.gz RGFLSNZMRPODCA-HJWRWDBZSA-N -1 0 345.420 3.723 20 0 EHADRM Cc1c(Cl)cc(NC(=O)c2cc(F)ncc2F)c([O-])c1Cl ZINC001146970871 1137398343 /nfs/dbraw/zinc/39/83/43/1137398343.db2.gz IFHSJXMSGNVLMD-UHFFFAOYSA-N -1 0 333.121 3.933 20 0 EHADRM COc1cccc(C2(NC(=O)c3ccc4[n-]c(=S)oc4c3)CC2)c1 ZINC000122050792 1137402022 /nfs/dbraw/zinc/40/20/22/1137402022.db2.gz YDBFHLNWVVGOIV-UHFFFAOYSA-N -1 0 340.404 3.544 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)C1([C@H]2CCCCO2)CCC1 ZINC000868332730 1137406604 /nfs/dbraw/zinc/40/66/04/1137406604.db2.gz SEZKMFXZTGGPIP-CQSZACIVSA-N -1 0 327.783 3.863 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)NCCCC3CCC3)c([O-])c2)o1 ZINC001147793383 1137412980 /nfs/dbraw/zinc/41/29/80/1137412980.db2.gz YBCKUSODCYLCGY-UHFFFAOYSA-N -1 0 327.380 3.775 20 0 EHADRM CC(=O)Nc1ccccc1NC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001147853762 1137413934 /nfs/dbraw/zinc/41/39/34/1137413934.db2.gz PTIGRWCUZOFOCT-UHFFFAOYSA-N -1 0 339.178 3.910 20 0 EHADRM COc1ccc(C(=O)Nc2cc(Cl)c(C)c(Cl)c2[O-])cc1O ZINC001148265538 1137420958 /nfs/dbraw/zinc/42/09/58/1137420958.db2.gz KHGLJDVJJYKSSX-UHFFFAOYSA-N -1 0 342.178 3.974 20 0 EHADRM Cc1cc(C)c(NC(=O)c2ccc(C(C)C)cc2)c(S(=O)(=O)[O-])c1 ZINC001148318310 1137423012 /nfs/dbraw/zinc/42/30/12/1137423012.db2.gz LIKFPYYKVIOUOX-UHFFFAOYSA-N -1 0 347.436 3.926 20 0 EHADRM O=C(Nc1cnccc1OC(F)F)c1cc(Cl)cc(Cl)c1[O-] ZINC001148805867 1137435276 /nfs/dbraw/zinc/43/52/76/1137435276.db2.gz XVVLPWGOMCMFSK-UHFFFAOYSA-N -1 0 349.120 3.948 20 0 EHADRM O=C(Nc1n[nH]c(C(F)(F)F)n1)c1cc(Cl)c(F)cc1Cl ZINC000339087203 1137435441 /nfs/dbraw/zinc/43/54/41/1137435441.db2.gz DUQKSXZSVPQSAA-UHFFFAOYSA-N -1 0 343.067 3.522 20 0 EHADRM O=C(N[C@H]1CCc2c1cccc2O)c1cc(Cl)cc(Cl)c1[O-] ZINC001148813889 1137435786 /nfs/dbraw/zinc/43/57/86/1137435786.db2.gz LQEXVFZJJDGIGR-ZDUSSCGKSA-N -1 0 338.190 3.822 20 0 EHADRM Cc1c(=O)[n-]n(-c2ccccc2)c1N[C@@H]1CCc2c(F)cccc2C1 ZINC001171419745 1137477541 /nfs/dbraw/zinc/47/75/41/1137477541.db2.gz UPULMZPSVFJEOX-OAHLLOKOSA-N -1 0 337.398 3.995 20 0 EHADRM CCC(CC)(CC(=O)Nc1cc(Br)ccc1C)C(=O)[O-] ZINC000037367998 1137488971 /nfs/dbraw/zinc/48/89/71/1137488971.db2.gz NFYIBNTVHKHBEM-UHFFFAOYSA-N -1 0 342.233 3.977 20 0 EHADRM CCOc1ccc(-c2cc(=O)n([C@@H]3CCOC4(CCCC4)C3)[n-]2)cc1 ZINC000871962820 1137563922 /nfs/dbraw/zinc/56/39/22/1137563922.db2.gz BXEYFUCEIOMZAB-MRXNPFEDSA-N -1 0 342.439 3.514 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Cc2csc(C3CC3)n2)cc1 ZINC000872714016 1137583063 /nfs/dbraw/zinc/58/30/63/1137583063.db2.gz GJTSFRJZWNKOGL-UHFFFAOYSA-N -1 0 344.436 3.564 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)NCc2nc(C(=O)[O-])cs2)cc1 ZINC000124268813 1137584833 /nfs/dbraw/zinc/58/48/33/1137584833.db2.gz KEGSWZSRQKVDJP-LBPRGKRZSA-N -1 0 346.452 3.775 20 0 EHADRM O=C([O-])[C@@]1(CC(=O)Nc2cccc(C(F)F)c2)CCc2ccccc21 ZINC000872842557 1137585361 /nfs/dbraw/zinc/58/53/61/1137585361.db2.gz XHEBNQLAUSLIEX-LJQANCHMSA-N -1 0 345.345 3.922 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)N(Cc1ccccc1)c1ccccc1 ZINC000872942973 1137586780 /nfs/dbraw/zinc/58/67/80/1137586780.db2.gz VLYBDIPRYUGOBG-UHFFFAOYSA-N -1 0 343.448 3.816 20 0 EHADRM Nc1c(Cl)cc(NC(=O)CC2(CC(=O)[O-])CCC2)cc1Cl ZINC000872943078 1137586811 /nfs/dbraw/zinc/58/68/11/1137586811.db2.gz YDGKLWFFOSKFBL-UHFFFAOYSA-N -1 0 331.199 3.549 20 0 EHADRM CC[C@@H]1CN(C(=O)C(C)(C)SCC(=O)[O-])CC[C@H]1c1ccccc1 ZINC000872954377 1137586893 /nfs/dbraw/zinc/58/68/93/1137586893.db2.gz WKDPJXYKNQYDBP-GDBMZVCRSA-N -1 0 349.496 3.625 20 0 EHADRM O=C([O-])C1=C(C(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)CCCC1 ZINC000872971266 1137587203 /nfs/dbraw/zinc/58/72/03/1137587203.db2.gz OZPYJCVCWYUUBU-CYBMUJFWSA-N -1 0 345.361 3.523 20 0 EHADRM CC(C)(C)c1nsc(NC(=O)c2ccc3oc(=S)[n-]c3c2)n1 ZINC000825752735 1137626075 /nfs/dbraw/zinc/62/60/75/1137626075.db2.gz IKTQDYPEZSPTDC-UHFFFAOYSA-N -1 0 334.426 3.518 20 0 EHADRM Cc1cc(C)n(Cc2ccc(-c3cc(C=O)cc(C(=O)[O-])c3)cc2)n1 ZINC000874969983 1137627260 /nfs/dbraw/zinc/62/72/60/1137627260.db2.gz WVMCADJWWSCAOP-UHFFFAOYSA-N -1 0 334.375 3.726 20 0 EHADRM CC(C)(C)Oc1ccc(-c2ccc(OCC(=O)[O-])c(C=O)c2)cc1 ZINC000874969897 1137627264 /nfs/dbraw/zinc/62/72/64/1137627264.db2.gz IBECPHDNKNEZNF-UHFFFAOYSA-N -1 0 328.364 3.807 20 0 EHADRM CC(C)(NC(=O)C(F)(F)c1cc(F)cc(F)c1)c1nccs1 ZINC000875331238 1137631990 /nfs/dbraw/zinc/63/19/90/1137631990.db2.gz URBMTEUFZWZOHN-UHFFFAOYSA-N -1 0 332.322 3.565 20 0 EHADRM O=C(c1ccc(Cl)c([O-])c1)N1CC(Cc2c(F)cccc2F)C1 ZINC001137087858 1137632030 /nfs/dbraw/zinc/63/20/30/1137632030.db2.gz SIWKLCIIYKXHTF-UHFFFAOYSA-N -1 0 337.753 3.639 20 0 EHADRM CC(C)(C)c1nc(C(=O)Nc2c3nsnc3ccc2Cl)co1 ZINC000875374503 1137632605 /nfs/dbraw/zinc/63/26/05/1137632605.db2.gz LVZGDIRXLJXXJS-UHFFFAOYSA-N -1 0 336.804 3.883 20 0 EHADRM O=C(Cc1cc2c(ccc3ccccc23)o1)[N-]O[C@@H]1CCCCO1 ZINC000126223803 1137664809 /nfs/dbraw/zinc/66/48/09/1137664809.db2.gz XQCIBVLMENQJID-LJQANCHMSA-N -1 0 325.364 3.703 20 0 EHADRM COc1ccc([C@H](C)N(C)Cc2nnc(-c3ccccc3O)o2)cc1 ZINC000877896502 1137694612 /nfs/dbraw/zinc/69/46/12/1137694612.db2.gz CLNIDHPINMROLC-ZDUSSCGKSA-N -1 0 339.395 3.644 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1c[nH]c2cccc(F)c12 ZINC000126952658 1137705680 /nfs/dbraw/zinc/70/56/80/1137705680.db2.gz UIOGHUCVDJPKFP-UHFFFAOYSA-N -1 0 327.340 3.989 20 0 EHADRM CC[C@](C)(NCc1nnc(-c2ccccc2O)o1)c1nc(C)cs1 ZINC000878262818 1137708975 /nfs/dbraw/zinc/70/89/75/1137708975.db2.gz WGPNKRNKVUQXIQ-KRWDZBQOSA-N -1 0 344.440 3.622 20 0 EHADRM C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000879359290 1137745402 /nfs/dbraw/zinc/74/54/02/1137745402.db2.gz RFEJBBZCUOTHEA-CPFSXVBKSA-N -1 0 340.210 3.727 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N(C)[C@H](C)c2ccc(F)cc2)c(C)c1 ZINC000107972017 1137888389 /nfs/dbraw/zinc/88/83/89/1137888389.db2.gz XUTHDYOBNCKZQP-MYYSRTQBSA-N -1 0 347.455 3.770 20 0 EHADRM CCCc1cnc([N-]S(=O)(=O)/C=C\c2ccccc2F)s1 ZINC000800041028 1137895348 /nfs/dbraw/zinc/89/53/48/1137895348.db2.gz FHIAJUQOJYIHEX-HJWRWDBZSA-N -1 0 326.418 3.647 20 0 EHADRM Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000331423896 1137907792 /nfs/dbraw/zinc/90/77/92/1137907792.db2.gz QQLYBKOILHBGQG-AEFFLSMTSA-N -1 0 347.361 3.629 20 0 EHADRM C[C@@H]1CCc2nc(NC(=O)c3cc(F)c(F)c([O-])c3F)sc2C1 ZINC000332215462 1137936089 /nfs/dbraw/zinc/93/60/89/1137936089.db2.gz WQTNIMZGVHMIRG-ZCFIWIBFSA-N -1 0 342.342 3.643 20 0 EHADRM CC[C@@H](C)[C@H]1CCCCN1C(=O)N=c1ncn(C2CCCCC2)[n-]1 ZINC000332703718 1137951559 /nfs/dbraw/zinc/95/15/59/1137951559.db2.gz TTZMVNZALZEFGR-GDBMZVCRSA-N -1 0 333.480 3.638 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)N=c2ccc(C3CC3)n[n-]2)C1 ZINC000333177155 1137957313 /nfs/dbraw/zinc/95/73/13/1137957313.db2.gz LRZXJMCXNZNJSA-YVEFUNNKSA-N -1 0 340.402 3.530 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000333249304 1137959287 /nfs/dbraw/zinc/95/92/87/1137959287.db2.gz XYGRTUPKCJBJNP-IBGZPJMESA-N -1 0 348.450 3.850 20 0 EHADRM CCc1cc(NC(=O)c2cc(Cl)c3ccccc3c2[O-])nn1C ZINC001626966340 1137962978 /nfs/dbraw/zinc/96/29/78/1137962978.db2.gz ZQLNLQDEDSNSNY-UHFFFAOYSA-N -1 0 329.787 3.747 20 0 EHADRM Cc1ccc(-c2cccnc2)cc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000887292734 1138257330 /nfs/dbraw/zinc/25/73/30/1138257330.db2.gz COZWKNXGSBGDMT-OHQAAIJDSA-N -1 0 348.402 3.518 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc2c(c1)C=CC1(CCC1)O2 ZINC000887323998 1138265790 /nfs/dbraw/zinc/26/57/90/1138265790.db2.gz NWAGYHKKYMSHAW-JKSUJKDBSA-N -1 0 339.391 3.620 20 0 EHADRM Cc1ccc(C)n1C1CCN(C(=O)c2ccc([O-])c(Cl)c2)CC1 ZINC000263678167 1138341575 /nfs/dbraw/zinc/34/15/75/1138341575.db2.gz KNFTXQBFZNNSFP-UHFFFAOYSA-N -1 0 332.831 3.941 20 0 EHADRM O=C(Nc1ccc(OC2CCCC2)nc1)c1cc(=O)c2ccccc2[n-]1 ZINC000263761045 1138358604 /nfs/dbraw/zinc/35/86/04/1138358604.db2.gz DFUKSTZWVPHZPR-UHFFFAOYSA-N -1 0 349.390 3.909 20 0 EHADRM Fc1ccc2[nH]cc(CCCN=c3[n-]nc(C(F)(F)F)s3)c2c1 ZINC000336889144 1138421871 /nfs/dbraw/zinc/42/18/71/1138421871.db2.gz IHNCRAYMFQTDIB-UHFFFAOYSA-N -1 0 344.337 3.644 20 0 EHADRM O=C(N=c1nc(-c2cccnc2)[n-]s1)c1cccc(C2CCC2)c1 ZINC000336975183 1138439340 /nfs/dbraw/zinc/43/93/40/1138439340.db2.gz VCKVNPZYOYEHNR-UHFFFAOYSA-N -1 0 336.420 3.542 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)cc1 ZINC000348453214 1138584233 /nfs/dbraw/zinc/58/42/33/1138584233.db2.gz JWOYRCWGEFQZNW-UHFFFAOYSA-N -1 0 347.367 3.884 20 0 EHADRM Cc1nc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000337796089 1138670398 /nfs/dbraw/zinc/67/03/98/1138670398.db2.gz DJDICRBUHVUFDL-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@H](C)c2ccc(-c3cccnc3)cc2)s[n-]1 ZINC000337873895 1138687879 /nfs/dbraw/zinc/68/78/79/1138687879.db2.gz PINYCOQPGUPXFG-OLZOCXBDSA-N -1 0 340.452 3.903 20 0 EHADRM CO[C@@H](C)c1nc(=NCc2ccc(C(F)(F)F)cc2C)s[n-]1 ZINC000337948068 1138704762 /nfs/dbraw/zinc/70/47/62/1138704762.db2.gz TXJCUJXUFHRDMP-VIFPVBQESA-N -1 0 331.363 3.607 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000826634130 1139196317 /nfs/dbraw/zinc/19/63/17/1139196317.db2.gz YLDKJEDFOYRELG-LRDDRELGSA-N -1 0 334.416 3.692 20 0 EHADRM CC(C)Cc1nnc([N-]C(=O)c2c(F)c(F)cc(F)c2F)s1 ZINC000177750448 1139637604 /nfs/dbraw/zinc/63/76/04/1139637604.db2.gz DJJLUGBMEVXDME-UHFFFAOYSA-N -1 0 333.310 3.545 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CC[C@H](CSc2ccccc2)C1 ZINC000180086229 1139807396 /nfs/dbraw/zinc/80/73/96/1139807396.db2.gz CGLFMPQQTMYLDL-LBPRGKRZSA-N -1 0 349.402 3.925 20 0 EHADRM CC[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc(C)c1Cl)C(C)C ZINC000777353702 1139807540 /nfs/dbraw/zinc/80/75/40/1139807540.db2.gz BRBDHODQJDTQMU-LBPRGKRZSA-N -1 0 331.865 3.526 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000777358590 1139826536 /nfs/dbraw/zinc/82/65/36/1139826536.db2.gz JAZBOIFVZLEMAV-UHFFFAOYSA-N -1 0 341.451 3.650 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)[C@@H](C)c1cccc(OC)c1)C(=O)[O-] ZINC000777371799 1139898045 /nfs/dbraw/zinc/89/80/45/1139898045.db2.gz DBDUQRVOQLOGBE-IFXJQAMLSA-N -1 0 335.444 3.729 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 ZINC000777377441 1139934666 /nfs/dbraw/zinc/93/46/66/1139934666.db2.gz WLLSYCRFFQAWBX-YGRGUWMTSA-N -1 0 347.411 3.797 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000184543558 1140107881 /nfs/dbraw/zinc/10/78/81/1140107881.db2.gz MLWMPSFBQSPICJ-CJNGLKHVSA-N -1 0 347.386 3.633 20 0 EHADRM CC[C@@H](C)n1ncc(C(=O)Nc2ccc(C(=O)[O-])cc2)c1C1CC1 ZINC000190601334 1140411378 /nfs/dbraw/zinc/41/13/78/1140411378.db2.gz OZBNOTJUKNCODS-LLVKDONJSA-N -1 0 327.384 3.682 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000194457824 1140610623 /nfs/dbraw/zinc/61/06/23/1140610623.db2.gz GNHGDENYGQTDHJ-UONOGXRCSA-N -1 0 337.375 3.878 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC[C@@H]1[C@@H]1CCCCC1=O ZINC000194819916 1140623640 /nfs/dbraw/zinc/62/36/40/1140623640.db2.gz MYHZTTJMUIBJEL-SMDDNHRTSA-N -1 0 339.794 3.549 20 0 EHADRM CC(C)c1cc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)no1 ZINC000267101682 1140759214 /nfs/dbraw/zinc/75/92/14/1140759214.db2.gz WFGAFHBKQMIECE-UHFFFAOYSA-N -1 0 334.319 3.618 20 0 EHADRM C[C@@](CC(=O)NCc1ccc(C(F)F)cc1)(C(=O)[O-])c1ccccc1 ZINC000274056339 1141469429 /nfs/dbraw/zinc/46/94/29/1141469429.db2.gz HPZBGPJZSLMDNO-IBGZPJMESA-N -1 0 347.361 3.673 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c(C)c1O ZINC000055616312 214334476 /nfs/dbraw/zinc/33/44/76/214334476.db2.gz CJVFVZJXCWCCRE-UHFFFAOYSA-N -1 0 329.780 3.602 20 0 EHADRM CC(C)C(=O)Nc1cccc(NC(=O)c2c([O-])cc(F)cc2F)c1 ZINC000066044739 215004538 /nfs/dbraw/zinc/00/45/38/215004538.db2.gz BUQISWOMHHQNSR-UHFFFAOYSA-N -1 0 334.322 3.517 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)c(C)c1 ZINC000023371108 212371945 /nfs/dbraw/zinc/37/19/45/212371945.db2.gz MFWHEDOKKAXQIW-UHFFFAOYSA-N -1 0 326.421 3.961 20 0 EHADRM O=C([O-])c1sccc1NC(=O)c1ccc(F)cc1Br ZINC000021955796 212266473 /nfs/dbraw/zinc/26/64/73/212266473.db2.gz HVVQHQWJBFHUEN-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM Cc1ccc(OCC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)cc1 ZINC000020333456 212120553 /nfs/dbraw/zinc/12/05/53/212120553.db2.gz MRTBPAWBOLELME-UHFFFAOYSA-N -1 0 345.420 3.651 20 0 EHADRM CCC(CC)(CC(=O)Nc1cccc(Br)c1)C(=O)[O-] ZINC000011162581 211204921 /nfs/dbraw/zinc/20/49/21/211204921.db2.gz OAHYNUNBLIFSQU-UHFFFAOYSA-N -1 0 328.206 3.669 20 0 EHADRM C[C@H](NC(=O)CC1(C(=O)[O-])CCCC1)c1ccccc1OC(F)F ZINC000298335575 524922825 /nfs/dbraw/zinc/92/28/25/524922825.db2.gz ZYBALCOJONCILR-NSHDSACASA-N -1 0 341.354 3.500 20 0 EHADRM C[C@H]1C[C@@H](c2cccnc2)N(C(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000192481419 564090220 /nfs/dbraw/zinc/09/02/20/564090220.db2.gz INYRTSFDJDOTSR-BONVTDFDSA-N -1 0 334.778 3.803 20 0 EHADRM C[C@@H](OC(=O)CCSCC(=O)[O-])c1ccccc1C(F)(F)F ZINC000736690829 599799859 /nfs/dbraw/zinc/79/98/59/599799859.db2.gz DEBTZYCWSVAMBQ-SECBINFHSA-N -1 0 336.331 3.518 20 0 EHADRM C[C@@H](CC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(C(F)(F)F)cc1 ZINC000237314469 596926593 /nfs/dbraw/zinc/92/65/93/596926593.db2.gz KHPMOJYNONXWQF-NSHDSACASA-N -1 0 343.345 3.522 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000054296653 597049301 /nfs/dbraw/zinc/04/93/01/597049301.db2.gz CEUWQZMANVBXDL-VIFPVBQESA-N -1 0 331.199 3.712 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000054302649 597115776 /nfs/dbraw/zinc/11/57/76/597115776.db2.gz ONORUQWTKSGMEW-VIFPVBQESA-N -1 0 331.199 3.712 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)Nc2ccc3c4c(cccc42)CC3)C1 ZINC000577355686 597116291 /nfs/dbraw/zinc/11/62/91/597116291.db2.gz WXEFREILFNIEGJ-ZDUSSCGKSA-N -1 0 338.407 3.657 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)CNc1cccc(CC(=O)[O-])c1 ZINC000737587068 597127146 /nfs/dbraw/zinc/12/71/46/597127146.db2.gz BOOXGOUOYZLUHA-UHFFFAOYSA-N -1 0 340.423 3.662 20 0 EHADRM COc1cc(CNc2cccc(CC(=O)[O-])c2)ccc1OC(C)C ZINC000414642818 597137897 /nfs/dbraw/zinc/13/78/97/597137897.db2.gz WLGFORWKNBKSAK-UHFFFAOYSA-N -1 0 329.396 3.722 20 0 EHADRM O=C([O-])Cc1cccc(NCc2ccccc2OCc2cccnc2)c1 ZINC000819579574 597139542 /nfs/dbraw/zinc/13/95/42/597139542.db2.gz DYMPVGZHHHNQFX-UHFFFAOYSA-N -1 0 348.402 3.900 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N2CCC[C@H]2c2cccs2)c1 ZINC000738624239 597192540 /nfs/dbraw/zinc/19/25/40/597192540.db2.gz OQYVAXSTDGZFJJ-AWEZNQCLSA-N -1 0 330.409 3.744 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)c1ccc(Cl)s1 ZINC000316594013 597197350 /nfs/dbraw/zinc/19/73/50/597197350.db2.gz UFTDIMBFQXDQID-SECBINFHSA-N -1 0 338.816 3.911 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N[C@@H]2CCc3c2cccc3Cl)c1 ZINC000738625308 597200282 /nfs/dbraw/zinc/20/02/82/597200282.db2.gz WRVDOZQIEMEUEF-MRXNPFEDSA-N -1 0 344.798 3.776 20 0 EHADRM Cc1coc(-c2cc(NC(=O)NC(C)(C)CCC(=O)[O-])ccc2C)n1 ZINC000263026866 597212280 /nfs/dbraw/zinc/21/22/80/597212280.db2.gz JXWPPWMACVPZJW-UHFFFAOYSA-N -1 0 345.399 3.723 20 0 EHADRM C[C@H](c1cc(F)ccc1F)N(C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000818070921 597229312 /nfs/dbraw/zinc/22/93/12/597229312.db2.gz FDFDUEMCJZKBCM-LLVKDONJSA-N -1 0 348.349 3.566 20 0 EHADRM O=C([O-])c1ccc(C[S@](=O)Cc2csc(C3CCCC3)n2)cc1 ZINC000819691170 597287236 /nfs/dbraw/zinc/28/72/36/597287236.db2.gz DKHITQYRNUWVDF-QHCPKHFHSA-N -1 0 349.477 3.948 20 0 EHADRM CCCNC(=O)c1ccc(NCc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000818176316 597300912 /nfs/dbraw/zinc/30/09/12/597300912.db2.gz ILPVQBIQFRKYPK-UHFFFAOYSA-N -1 0 346.814 3.790 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccccc1CC(=O)[O-])c1ccc(F)cc1F ZINC000818009290 597331634 /nfs/dbraw/zinc/33/16/34/597331634.db2.gz ZNOAAEPRIDTCCX-NSHDSACASA-N -1 0 348.349 3.517 20 0 EHADRM C[C@@H]1c2ccsc2CCN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000321168337 597336183 /nfs/dbraw/zinc/33/61/83/597336183.db2.gz XPXHICRIXFZQDY-LLVKDONJSA-N -1 0 330.409 3.526 20 0 EHADRM CC[C@@H](CC(=O)Nc1ccccc1CC(=O)[O-])c1ccc(OC)cc1 ZINC000263288982 597376731 /nfs/dbraw/zinc/37/67/31/597376731.db2.gz QMQQBGQYTHBNQE-AWEZNQCLSA-N -1 0 341.407 3.845 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2ccc(CCC(F)(F)F)cc2)C1 ZINC000556145669 597377896 /nfs/dbraw/zinc/37/78/96/597377896.db2.gz SUKNOCLSNVUFQN-ZDUSSCGKSA-N -1 0 343.345 3.508 20 0 EHADRM C[C@H](C(=O)[O-])N(C)C(=O)c1ccccc1SCc1cccs1 ZINC000262846915 597463115 /nfs/dbraw/zinc/46/31/15/597463115.db2.gz FHTHBHMONFOKPO-LLVKDONJSA-N -1 0 335.450 3.586 20 0 EHADRM C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(C(=O)[O-])c1 ZINC000191572834 598134843 /nfs/dbraw/zinc/13/48/43/598134843.db2.gz YXZRDTYLLGFBDD-LLVKDONJSA-N -1 0 340.404 3.828 20 0 EHADRM COc1ccc(NC(=O)c2cccc(C(=O)[O-])c2)c(C(F)(F)F)c1 ZINC000820845750 598139366 /nfs/dbraw/zinc/13/93/66/598139366.db2.gz ARZILMRVHIIRJK-UHFFFAOYSA-N -1 0 339.269 3.665 20 0 EHADRM O=C([O-])CCCCNC(=O)c1sc2cc(F)ccc2c1Cl ZINC000070197687 598165785 /nfs/dbraw/zinc/16/57/85/598165785.db2.gz VDJHAZNRCCJZOU-UHFFFAOYSA-N -1 0 329.780 3.679 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)C1 ZINC000821515335 598172583 /nfs/dbraw/zinc/17/25/83/598172583.db2.gz FFJUNYLXDCXTCD-SECBINFHSA-N -1 0 349.736 3.686 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N1CCC(OC2CCCCC2)CC1 ZINC000821552904 598176648 /nfs/dbraw/zinc/17/66/48/598176648.db2.gz XRHALZBYOMLGBM-UHFFFAOYSA-N -1 0 346.427 3.730 20 0 EHADRM O=C([O-])c1cccc(CN[C@@H](c2ccc(F)cc2)c2ccccn2)c1 ZINC000821551631 598203331 /nfs/dbraw/zinc/20/33/31/598203331.db2.gz PIWJJBWEBWYPEU-IBGZPJMESA-N -1 0 336.366 3.798 20 0 EHADRM COc1ccccc1[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccco1 ZINC000820876807 598204792 /nfs/dbraw/zinc/20/47/92/598204792.db2.gz ZKPAXQNAAAXBJS-LJQANCHMSA-N -1 0 337.375 3.866 20 0 EHADRM C[C@@H](c1ccccc1)c1ccc(Oc2nccnc2-c2nnn[n-]2)cc1 ZINC000736202773 598756763 /nfs/dbraw/zinc/75/67/63/598756763.db2.gz LIRCAYLBNYUNEX-ZDUSSCGKSA-N -1 0 344.378 3.601 20 0 EHADRM Cc1cc(NC(=O)N2CC[C@H](c3ccccc3F)C2)ccc1C(=O)[O-] ZINC000738437232 599701565 /nfs/dbraw/zinc/70/15/65/599701565.db2.gz KXKIHVALKDXLSL-ZDUSSCGKSA-N -1 0 342.370 3.854 20 0 EHADRM COc1cc2c(cc1NC(=O)CCCNC(=O)[O-])oc1ccccc12 ZINC000737905990 599706346 /nfs/dbraw/zinc/70/63/46/599706346.db2.gz UIYGVZRIIXSIPE-UHFFFAOYSA-N -1 0 342.351 3.581 20 0 EHADRM CCCC[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)[O-] ZINC000736986371 599709973 /nfs/dbraw/zinc/70/99/73/599709973.db2.gz UZJZJCGWACSUOK-AWEZNQCLSA-N -1 0 331.441 3.880 20 0 EHADRM CCCC[C@H](Sc1nnc(-c2ccccc2OC)n1CC)C(=O)[O-] ZINC000736986443 599710813 /nfs/dbraw/zinc/71/08/13/599710813.db2.gz WTXFNAUVTATBBL-AWEZNQCLSA-N -1 0 349.456 3.709 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)Nc1nc2cc(F)c(F)cc2s1 ZINC000740055760 599711534 /nfs/dbraw/zinc/71/15/34/599711534.db2.gz IUIWBDRSZIEZOO-UHFFFAOYSA-N -1 0 349.318 3.917 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N2CCc3sccc3C2)ccc1F ZINC000740004502 599713996 /nfs/dbraw/zinc/71/39/96/599713996.db2.gz CVFKDFGQNQJJQA-UHFFFAOYSA-N -1 0 335.360 3.567 20 0 EHADRM CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)CCCNC(=O)[O-] ZINC000737210854 599716611 /nfs/dbraw/zinc/71/66/11/599716611.db2.gz MAPYAABJCJMFFE-CYBMUJFWSA-N -1 0 348.443 3.752 20 0 EHADRM Cn1cccc1[C@H]1CCCN1C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000739042949 599717115 /nfs/dbraw/zinc/71/71/15/599717115.db2.gz LGZUXAHZEPUXGO-OAHLLOKOSA-N -1 0 346.362 3.623 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@H]2C[C@H]2c2cccc3ccccc32)o1 ZINC000740134335 599720840 /nfs/dbraw/zinc/72/08/40/599720840.db2.gz TZAXFQBQGRTQLW-IRXDYDNUSA-N -1 0 336.343 3.978 20 0 EHADRM CC(C)c1sc(NC(=O)CCNC(=O)[O-])nc1-c1ccccc1 ZINC000736530263 599720987 /nfs/dbraw/zinc/72/09/87/599720987.db2.gz CVXNYTVWCCMEIU-UHFFFAOYSA-N -1 0 333.413 3.530 20 0 EHADRM Cc1cc(C)cc(Oc2ccc(NC(=O)CCNC(=O)[O-])cc2)c1 ZINC000738368468 599725438 /nfs/dbraw/zinc/72/54/38/599725438.db2.gz GUSMESTXMRVEIU-UHFFFAOYSA-N -1 0 328.368 3.692 20 0 EHADRM O=C([O-])NCCCC(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000739962471 599727214 /nfs/dbraw/zinc/72/72/14/599727214.db2.gz XGXXVEIWBXJYTG-UHFFFAOYSA-N -1 0 349.774 3.514 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000737255950 599746311 /nfs/dbraw/zinc/74/63/11/599746311.db2.gz DOYRMORNVRVOMN-GTNSWQLSSA-N -1 0 347.361 3.573 20 0 EHADRM O=C([O-])c1cc(Oc2ccccc2)ccc1NC(=O)[C@@H]1CCCOC1 ZINC000740087788 599746624 /nfs/dbraw/zinc/74/66/24/599746624.db2.gz OLKRKGURDUXSJK-CYBMUJFWSA-N -1 0 341.363 3.542 20 0 EHADRM CC(C)(NC(=O)[O-])C(=O)Nc1cccc(-c2ccc3ccccc3c2)n1 ZINC000736337806 599749654 /nfs/dbraw/zinc/74/96/54/599749654.db2.gz VHGCITVHGUYJSQ-UHFFFAOYSA-N -1 0 349.390 3.887 20 0 EHADRM O=C([O-])c1cccc(NC(=O)CSc2ccnc3ccccc32)c1 ZINC000739337550 599750837 /nfs/dbraw/zinc/75/08/37/599750837.db2.gz KLRFTUFQEIAGAY-UHFFFAOYSA-N -1 0 338.388 3.664 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000236966054 599752222 /nfs/dbraw/zinc/75/22/22/599752222.db2.gz QMQBILAQEIOKBM-BIMQEMHKSA-N -1 0 325.408 3.559 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)cc1 ZINC000238035132 599753705 /nfs/dbraw/zinc/75/37/05/599753705.db2.gz UMAHLQPLBOEBJA-QGZVFWFLSA-N -1 0 327.355 3.795 20 0 EHADRM CCc1[nH]c(C(=O)N[C@@H](c2ccccc2)C2CCC2)c(C)c1C(=O)[O-] ZINC000737243363 599754221 /nfs/dbraw/zinc/75/42/21/599754221.db2.gz YKJJXEVNLYFQTH-SFHVURJKSA-N -1 0 340.423 3.855 20 0 EHADRM Cc1[nH]c(C(=O)NC2(c3ccc(F)cc3)CCCC2)c(C)c1C(=O)[O-] ZINC000738238243 599754563 /nfs/dbraw/zinc/75/45/63/599754563.db2.gz INDKGJAOZQKUSI-UHFFFAOYSA-N -1 0 344.386 3.668 20 0 EHADRM COc1c(C)cc(CN(C)C(=O)Nc2ccc(C(=O)[O-])cc2)cc1C ZINC000737840271 599756375 /nfs/dbraw/zinc/75/63/75/599756375.db2.gz WVVWFIYUVRCTHP-UHFFFAOYSA-N -1 0 342.395 3.674 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)cc1 ZINC000325864071 599769027 /nfs/dbraw/zinc/76/90/27/599769027.db2.gz JEINRYDFTGPHGX-UHFFFAOYSA-N -1 0 341.260 3.513 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000736622702 599771914 /nfs/dbraw/zinc/77/19/14/599771914.db2.gz UVKQHIOWNDDURX-ZDUSSCGKSA-N -1 0 329.371 3.660 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCC[C@H]2Cc2ccc(F)cc2)cc1 ZINC000540668066 599773362 /nfs/dbraw/zinc/77/33/62/599773362.db2.gz LDDBQSOJYOQTDR-SFHVURJKSA-N -1 0 341.382 3.761 20 0 EHADRM CCCC[C@H]1CCC[C@H]1NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000736986414 599781546 /nfs/dbraw/zinc/78/15/46/599781546.db2.gz WNVKQFAWKOFVBP-DOTOQJQBSA-N -1 0 332.444 3.885 20 0 EHADRM O=C([O-])c1ccc(OC(=O)c2ccc(Br)cc2F)cc1 ZINC000738691779 599784780 /nfs/dbraw/zinc/78/47/80/599784780.db2.gz WVTMNXBRRGBGRR-UHFFFAOYSA-N -1 0 339.116 3.506 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N2CC3(CCC3)c3c2cccc3F)c1 ZINC000740227279 599788106 /nfs/dbraw/zinc/78/81/06/599788106.db2.gz CMIWQSOZCVYZTP-UHFFFAOYSA-N -1 0 340.354 3.998 20 0 EHADRM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000736427080 599788564 /nfs/dbraw/zinc/78/85/64/599788564.db2.gz RNXDCUQVMRAYGN-YOEHRIQHSA-N -1 0 348.443 3.876 20 0 EHADRM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000736426623 599788641 /nfs/dbraw/zinc/78/86/41/599788641.db2.gz LREJYEXGEKEQHW-WMLDXEAASA-N -1 0 348.443 3.876 20 0 EHADRM O=C([O-])c1ccccc1C(=O)OCCOc1ccc2ccccc2c1 ZINC000740240702 599788770 /nfs/dbraw/zinc/78/87/70/599788770.db2.gz BVVCKZMOYQQSJS-UHFFFAOYSA-N -1 0 336.343 3.774 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC000736861343 599793898 /nfs/dbraw/zinc/79/38/98/599793898.db2.gz KPUSREFSJBXFMJ-LJQANCHMSA-N -1 0 326.396 3.761 20 0 EHADRM O=C([O-])c1coc(COc2ccc(Cl)cc2Br)c1 ZINC000051329355 599802256 /nfs/dbraw/zinc/80/22/56/599802256.db2.gz SEJIMMIFUDAIAL-UHFFFAOYSA-N -1 0 331.549 3.973 20 0 EHADRM CCCOc1ccc(C(=O)Nc2ccsc2C(=O)[O-])cc1OCC ZINC000737031519 599802741 /nfs/dbraw/zinc/80/27/41/599802741.db2.gz ODUIQUUTXDXKNI-UHFFFAOYSA-N -1 0 349.408 3.886 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(C(F)F)cc1)c1cccs1 ZINC000739628647 599809636 /nfs/dbraw/zinc/80/96/36/599809636.db2.gz VPOSRFLHXIXUOB-NSHDSACASA-N -1 0 325.336 3.632 20 0 EHADRM Cc1ccc(CN(C)[C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)s1 ZINC000738594692 599812117 /nfs/dbraw/zinc/81/21/17/599812117.db2.gz RRIARAXDFIMCLU-ZDUSSCGKSA-N -1 0 346.452 3.522 20 0 EHADRM Cc1ccc(CN(C)[C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)s1 ZINC000738594690 599812183 /nfs/dbraw/zinc/81/21/83/599812183.db2.gz RRIARAXDFIMCLU-CYBMUJFWSA-N -1 0 346.452 3.522 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C[C@@H]1CCCc2ccccc21 ZINC000237032270 599814100 /nfs/dbraw/zinc/81/41/00/599814100.db2.gz HVAPRKJOEXJLHR-SFHVURJKSA-N -1 0 337.419 3.853 20 0 EHADRM CCCCC[C@H](NC(=O)N[C@@H]1CCCN(C(=O)[O-])C1)c1ccccc1 ZINC000736984544 599815946 /nfs/dbraw/zinc/81/59/46/599815946.db2.gz MBVXGDZWERUXLU-SJORKVTESA-N -1 0 347.459 3.750 20 0 EHADRM CN(CCCc1ccccc1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000737441393 599826523 /nfs/dbraw/zinc/82/65/23/599826523.db2.gz ULYAYCFHOQEQJU-UHFFFAOYSA-N -1 0 340.423 3.800 20 0 EHADRM CC[C@@H](C)Oc1cc(/C=C(\C(=O)[O-])c2ccncc2)ccc1OC ZINC000736888479 599830637 /nfs/dbraw/zinc/83/06/37/599830637.db2.gz XYILIEZFCJWIGN-YYTPVVGHSA-N -1 0 327.380 3.893 20 0 EHADRM O=C([O-])CCCNC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000739676179 599831306 /nfs/dbraw/zinc/83/13/06/599831306.db2.gz HIARKSBBSCFUBM-MRXNPFEDSA-N -1 0 338.835 3.735 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)C(=O)N(C)c2ccccc2C(=O)[O-])c1 ZINC000736703530 599837445 /nfs/dbraw/zinc/83/74/45/599837445.db2.gz HQYKGINFUCQOGH-AWEZNQCLSA-N -1 0 341.407 3.939 20 0 EHADRM Cc1sc(NC(=O)[C@H](C)n2cnc3ccccc32)c(C(=O)[O-])c1C ZINC000391868116 599838743 /nfs/dbraw/zinc/83/87/43/599838743.db2.gz YJAIWEPZDYACOA-JTQLQIEISA-N -1 0 343.408 3.613 20 0 EHADRM O=C([O-])c1ccc2ccccc2c1OC(=O)/C=C\c1cncc(F)c1 ZINC000739216090 599840922 /nfs/dbraw/zinc/84/09/22/599840922.db2.gz ILGUTBOTJDODPW-YVMONPNESA-N -1 0 337.306 3.691 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)/C=C\c1cncc(F)c1)CCCC2 ZINC000738455240 599841076 /nfs/dbraw/zinc/84/10/76/599841076.db2.gz WOUYCLWRJCOWRN-WAYWQWQTSA-N -1 0 346.383 3.511 20 0 EHADRM CCc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(SC)cc2)cc1 ZINC000237141777 599848483 /nfs/dbraw/zinc/84/84/83/599848483.db2.gz XOBWYEULAGHBJD-KRWDZBQOSA-N -1 0 343.448 3.917 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccccc2C)cc1 ZINC000237354460 599848592 /nfs/dbraw/zinc/84/85/92/599848592.db2.gz ZRWXRQPCMVBCTL-MRXNPFEDSA-N -1 0 329.421 3.663 20 0 EHADRM CN(Cc1csc(-c2ccoc2)n1)Cc1ccc(C(=O)[O-])cc1 ZINC000737470766 599855787 /nfs/dbraw/zinc/85/57/87/599855787.db2.gz KRYSUFCELDSLMK-UHFFFAOYSA-N -1 0 328.393 3.733 20 0 EHADRM COc1ccc(Cc2nc(-c3cc(C(=O)[O-])co3)cs2)cc1OC ZINC000391581037 599858296 /nfs/dbraw/zinc/85/82/96/599858296.db2.gz NFBLNQHETVDBOQ-UHFFFAOYSA-N -1 0 345.376 3.709 20 0 EHADRM COc1cccc(-c2nc(-c3cc(C(=O)[O-])co3)cs2)c1OC ZINC000320649135 599858298 /nfs/dbraw/zinc/85/82/98/599858298.db2.gz VHGGOJSEBZAGLX-UHFFFAOYSA-N -1 0 331.349 3.786 20 0 EHADRM Cc1ccc(CC(=O)NCc2c3ccccc3sc2C(=O)[O-])cc1 ZINC000676019735 599872330 /nfs/dbraw/zinc/87/23/30/599872330.db2.gz WSYXMZROXLLFJX-UHFFFAOYSA-N -1 0 339.416 3.767 20 0 EHADRM CCN(CCC(F)(F)F)C(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000737100629 599879745 /nfs/dbraw/zinc/87/97/45/599879745.db2.gz CESUQVSMVCKZFL-UHFFFAOYSA-N -1 0 338.351 3.869 20 0 EHADRM CCC(CC)N(CCOC)C(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000320822049 599880343 /nfs/dbraw/zinc/88/03/43/599880343.db2.gz CFQMCNGYTBWELI-UHFFFAOYSA-N -1 0 342.461 3.732 20 0 EHADRM COc1ccc(C[C@@H](C)OC(=O)c2ccc(NC(=O)[O-])cc2)cc1 ZINC000737984091 599890172 /nfs/dbraw/zinc/89/01/72/599890172.db2.gz IEINJPUEBRPNMN-GFCCVEGCSA-N -1 0 329.352 3.573 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)OCc1sc2ccccc2c1Cl ZINC000736384434 599891165 /nfs/dbraw/zinc/89/11/65/599891165.db2.gz FNGHWGNJDHIRSZ-ZDUSSCGKSA-N -1 0 341.816 3.890 20 0 EHADRM CC(C)[C@H](CC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000236646724 599892958 /nfs/dbraw/zinc/89/29/58/599892958.db2.gz KASVOWWLRMTVRG-SFHVURJKSA-N -1 0 325.408 3.831 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000120219254 599894037 /nfs/dbraw/zinc/89/40/37/599894037.db2.gz VZJAZPQNKQMYPI-CYBMUJFWSA-N -1 0 327.380 3.834 20 0 EHADRM Cc1cccc(C2(CNC(=O)[C@@H](NC(=O)[O-])C(C)C)CCCCC2)c1 ZINC000738687853 599894347 /nfs/dbraw/zinc/89/43/47/599894347.db2.gz VYTJEISVUUDYTD-KRWDZBQOSA-N -1 0 346.471 3.605 20 0 EHADRM CN(CCOc1ccc(Cl)cc1)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000737450300 599896363 /nfs/dbraw/zinc/89/63/63/599896363.db2.gz ZKOOEVRWOBCAJV-UHFFFAOYSA-N -1 0 348.786 3.581 20 0 EHADRM COc1ccc(C)cc1[C@H](C)NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000737975948 599897985 /nfs/dbraw/zinc/89/79/85/599897985.db2.gz MJULOPQATOFVCU-LBPRGKRZSA-N -1 0 328.368 3.585 20 0 EHADRM COc1ccc([C@@H](C)N(C)C(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000737946018 599901556 /nfs/dbraw/zinc/90/15/56/599901556.db2.gz GAIBPMPGOHHJRB-GFCCVEGCSA-N -1 0 328.368 3.618 20 0 EHADRM C[C@@H](c1c(F)cccc1F)N(C)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736715319 599902163 /nfs/dbraw/zinc/90/21/63/599902163.db2.gz QAJHQBJXKXGYQQ-JTQLQIEISA-N -1 0 334.322 3.888 20 0 EHADRM CCOc1ccccc1[C@H](C)NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000737213180 599902512 /nfs/dbraw/zinc/90/25/12/599902512.db2.gz MKWGISXZILVMAC-LBPRGKRZSA-N -1 0 328.368 3.666 20 0 EHADRM CC(C)[C@@H](CC(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000236672846 599903271 /nfs/dbraw/zinc/90/32/71/599903271.db2.gz ZITLNMYSCYDXKX-GOSISDBHSA-N -1 0 341.407 3.918 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)c2cccc(NC(=O)[O-])c2)c(C)c1 ZINC000738589735 599904640 /nfs/dbraw/zinc/90/46/40/599904640.db2.gz TYOFHAWKGYPFTG-AWEZNQCLSA-N -1 0 326.396 3.754 20 0 EHADRM CC(C)[C@@H](CC(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000262578079 599904715 /nfs/dbraw/zinc/90/47/15/599904715.db2.gz PHDCCUMIABAFBQ-GOSISDBHSA-N -1 0 341.407 3.918 20 0 EHADRM CC(=O)Nc1cc(NC(=O)c2cccc(NC(=O)[O-])c2)ccc1Cl ZINC000736161409 599909450 /nfs/dbraw/zinc/90/94/50/599909450.db2.gz PJVHMRWCLNPZDM-UHFFFAOYSA-N -1 0 347.758 3.641 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)C(C)(C)c2ccc(F)cc2)cc1 ZINC000737330363 599909457 /nfs/dbraw/zinc/90/94/57/599909457.db2.gz RMXNIYDZVFUEPW-UHFFFAOYSA-N -1 0 330.359 3.856 20 0 EHADRM Cc1oc(-c2ccccc2)nc1COc1ccc(C(=O)[O-])cc1C=O ZINC000738957180 599909600 /nfs/dbraw/zinc/90/96/00/599909600.db2.gz SNNAUHLPSLEMSY-UHFFFAOYSA-N -1 0 337.331 3.740 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)NC2(c3ccc(F)cc3)CCC2)c1 ZINC000740028744 599909823 /nfs/dbraw/zinc/90/98/23/599909823.db2.gz HZEUCTNGHPHWCK-UHFFFAOYSA-N -1 0 328.343 3.725 20 0 EHADRM O=Cc1cc(C(=O)[O-])ccc1OCc1csc(C2CCCC2)n1 ZINC000740316911 599910084 /nfs/dbraw/zinc/91/00/84/599910084.db2.gz OFTOUTQSARZSBV-UHFFFAOYSA-N -1 0 331.393 3.890 20 0 EHADRM Cc1cccc(CC(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])c1 ZINC000325837346 599913634 /nfs/dbraw/zinc/91/36/34/599913634.db2.gz WOJANSIDXCZEPG-UHFFFAOYSA-N -1 0 337.297 3.893 20 0 EHADRM Cc1cc(NC(=O)c2nc(C(C)C)ncc2Cl)ccc1C(=O)[O-] ZINC000236867172 599914712 /nfs/dbraw/zinc/91/47/12/599914712.db2.gz SAVBMGSQTYFFSP-UHFFFAOYSA-N -1 0 333.775 3.512 20 0 EHADRM C[C@@H](CN(C(=O)CCc1ccc(Cl)c(Cl)c1)C1CC1)C(=O)[O-] ZINC000262170162 599916155 /nfs/dbraw/zinc/91/61/55/599916155.db2.gz LIILJCGFDGYOCZ-JTQLQIEISA-N -1 0 344.238 3.638 20 0 EHADRM COCc1c2ccccc2oc1C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000341210618 599918482 /nfs/dbraw/zinc/91/84/82/599918482.db2.gz HCDLATOCTRNFMD-UHFFFAOYSA-N -1 0 339.347 3.838 20 0 EHADRM C[C@H](CN(C(=O)c1ccc(-c2ccccc2Cl)o1)C1CC1)C(=O)[O-] ZINC000237382608 599923033 /nfs/dbraw/zinc/92/30/33/599923033.db2.gz SVJBVSWPCAGCIL-LLVKDONJSA-N -1 0 347.798 3.925 20 0 EHADRM O=C([O-])CCC(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000574779406 599926081 /nfs/dbraw/zinc/92/60/81/599926081.db2.gz OHYDRGORXBZFNF-ZDUSSCGKSA-N -1 0 329.318 3.624 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)cc1F)C(=O)[O-] ZINC000236969490 599926852 /nfs/dbraw/zinc/92/68/52/599926852.db2.gz FAQPQYBQZVPSKK-APPDUMDISA-N -1 0 347.361 3.861 20 0 EHADRM O=C([O-])N1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000739927315 599932412 /nfs/dbraw/zinc/93/24/12/599932412.db2.gz UJKDOPLDENGREO-KRWDZBQOSA-N -1 0 330.815 3.725 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)C1(C)C ZINC000675980771 599935643 /nfs/dbraw/zinc/93/56/43/599935643.db2.gz BUCKTYHCRPHHQX-SOLBZPMBSA-N -1 0 329.440 3.947 20 0 EHADRM CSCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000324431990 599936269 /nfs/dbraw/zinc/93/62/69/599936269.db2.gz CKUZRRDBVIVSPU-KRWDZBQOSA-N -1 0 343.448 3.886 20 0 EHADRM CC(C)Oc1ccc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000327154032 599937067 /nfs/dbraw/zinc/93/70/67/599937067.db2.gz VNMOTVCKBKAIEF-GOSISDBHSA-N -1 0 341.407 3.810 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cc3c(s2)CCCCC3)c1O ZINC000322378886 599946396 /nfs/dbraw/zinc/94/63/96/599946396.db2.gz JNAYQCRYHDLNEZ-UHFFFAOYSA-N -1 0 331.393 3.673 20 0 EHADRM Cc1cc(NC(=O)CCC(=O)c2ccc(F)cc2F)ccc1C(=O)[O-] ZINC000237697385 599949662 /nfs/dbraw/zinc/94/96/62/599949662.db2.gz CDXZMOANDDZCKR-UHFFFAOYSA-N -1 0 347.317 3.573 20 0 EHADRM COc1cccc(C2(C(=O)OCc3ccoc3C(=O)[O-])CCCC2)c1 ZINC000738097025 599952802 /nfs/dbraw/zinc/95/28/02/599952802.db2.gz SICVYCBHWIWHRE-UHFFFAOYSA-N -1 0 344.363 3.542 20 0 EHADRM CC(C)c1ccccc1NC(=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC000736522900 599953675 /nfs/dbraw/zinc/95/36/75/599953675.db2.gz JJYWRXFGOPAUKR-UHFFFAOYSA-N -1 0 342.395 3.709 20 0 EHADRM CC(C)c1ccc(NC(=O)NCCOc2ccc(C(=O)[O-])cc2)cc1 ZINC000736514822 599953791 /nfs/dbraw/zinc/95/37/91/599953791.db2.gz CEWUUDWIIBNFFS-UHFFFAOYSA-N -1 0 342.395 3.709 20 0 EHADRM CC[C@H](C)N(Cc1ccccc1)C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000736884452 599958030 /nfs/dbraw/zinc/95/80/30/599958030.db2.gz RNKVZHHEPFFQRL-LBPRGKRZSA-N -1 0 347.440 3.603 20 0 EHADRM COc1cc(CNc2ccc(C(=O)[O-])c(C)c2)ccc1OC(F)F ZINC000737885876 599960514 /nfs/dbraw/zinc/96/05/14/599960514.db2.gz KXQGQBGLWJGZOG-UHFFFAOYSA-N -1 0 337.322 3.915 20 0 EHADRM C[C@@H](NC(=O)CCSCC(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000736640885 599961926 /nfs/dbraw/zinc/96/19/26/599961926.db2.gz OIZBTQWNFQGDHP-CQSZACIVSA-N -1 0 343.448 3.739 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1sccc1C1CC1 ZINC000362599953 599986799 /nfs/dbraw/zinc/98/67/99/599986799.db2.gz FDRWKSTVOKMKRD-UHFFFAOYSA-N -1 0 331.393 3.650 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)ccc1F ZINC000740082192 599995943 /nfs/dbraw/zinc/99/59/43/599995943.db2.gz WLSBITUOTUSWDJ-WDEREUQCSA-N -1 0 335.281 3.544 20 0 EHADRM O=C([O-])[C@H](NC(=O)CCCCCc1cccs1)c1cccs1 ZINC000448987497 599996676 /nfs/dbraw/zinc/99/66/76/599996676.db2.gz BGMYPERSQUNEER-OAHLLOKOSA-N -1 0 337.466 3.855 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000740077140 599997031 /nfs/dbraw/zinc/99/70/31/599997031.db2.gz GAWPLWOLHDVEEI-WDEREUQCSA-N -1 0 335.281 3.544 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)C[C@H](C)c2ccc(F)cc2)c1 ZINC000737934373 600001569 /nfs/dbraw/zinc/00/15/69/600001569.db2.gz ADBIGWNCONZIAK-NSHDSACASA-N -1 0 331.343 3.665 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC000738119946 600001865 /nfs/dbraw/zinc/00/18/65/600001865.db2.gz JWPZRCQFWZQRJE-ACJLOTCBSA-N -1 0 328.364 3.558 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000738118890 600001938 /nfs/dbraw/zinc/00/19/38/600001938.db2.gz DNHLUFVOKVAUAQ-VXGBXAGGSA-N -1 0 332.352 3.784 20 0 EHADRM Cc1cccc(N(C)C(=O)c2ccccc2S[C@@H](C)C(=O)[O-])c1 ZINC000237549942 600008837 /nfs/dbraw/zinc/00/88/37/600008837.db2.gz NXBQDZGZDDHMFZ-ZDUSSCGKSA-N -1 0 329.421 3.837 20 0 EHADRM CSc1ccc(NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])cn1 ZINC000738212598 600009374 /nfs/dbraw/zinc/00/93/74/600009374.db2.gz MOPOWIYATIKKAW-SNVBAGLBSA-N -1 0 348.449 3.621 20 0 EHADRM O=C([O-])C1CCC(NC(=O)Nc2ncc(-c3ccccc3)s2)CC1 ZINC000739489625 600010932 /nfs/dbraw/zinc/01/09/32/600010932.db2.gz HIVVTGZEBLHDQZ-UHFFFAOYSA-N -1 0 345.424 3.575 20 0 EHADRM CCOc1cccc([C@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000737211462 600014202 /nfs/dbraw/zinc/01/42/02/600014202.db2.gz URDACGDFQWYENF-ZDUSSCGKSA-N -1 0 342.395 3.975 20 0 EHADRM CCOc1ccc([C@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000737195202 600015732 /nfs/dbraw/zinc/01/57/32/600015732.db2.gz LSVOYVQEDSCHGG-ZDUSSCGKSA-N -1 0 342.395 3.975 20 0 EHADRM Cc1cc(NC(=O)NCCCSc2ccccc2)ccc1C(=O)[O-] ZINC000738440132 600015831 /nfs/dbraw/zinc/01/58/31/600015831.db2.gz INBGPNRLLWKWRR-UHFFFAOYSA-N -1 0 344.436 3.997 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263074293 600017996 /nfs/dbraw/zinc/01/79/96/600017996.db2.gz UDGKWBWDECPTNR-IYXRBSQSSA-N -1 0 344.411 3.745 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC000013260808 600021124 /nfs/dbraw/zinc/02/11/24/600021124.db2.gz AUGIVYGQQHGKKX-AWEZNQCLSA-N -1 0 343.354 3.555 20 0 EHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)C1 ZINC000736394106 600023405 /nfs/dbraw/zinc/02/34/05/600023405.db2.gz FXMPNANAUBAXST-DYVFJYSZSA-N -1 0 330.428 3.625 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)c1 ZINC000739888373 600023993 /nfs/dbraw/zinc/02/39/93/600023993.db2.gz FGVUFSAKFOAJHO-CVEARBPZSA-N -1 0 330.767 3.676 20 0 EHADRM Cc1ccc(CCCCC(=O)Oc2cccc(CC(=O)[O-])c2)cc1 ZINC000738588777 600023996 /nfs/dbraw/zinc/02/39/96/600023996.db2.gz GJKKDPUZPOTCBU-UHFFFAOYSA-N -1 0 326.392 3.941 20 0 EHADRM COc1cc2ccccc2cc1C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000737908457 600026589 /nfs/dbraw/zinc/02/65/89/600026589.db2.gz VFHWQCMZZGHRQX-UHFFFAOYSA-N -1 0 336.343 3.695 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)C(=O)Oc2cccc(CC(=O)[O-])c2)c1 ZINC000736703528 600026708 /nfs/dbraw/zinc/02/67/08/600026708.db2.gz HNCNPXXQKUOEMB-AWEZNQCLSA-N -1 0 342.391 3.810 20 0 EHADRM CC(C)c1cccc(O[C@H](C)C(=O)Oc2cccc(CC(=O)[O-])c2)c1 ZINC000736703529 600026982 /nfs/dbraw/zinc/02/69/82/600026982.db2.gz HNCNPXXQKUOEMB-CQSZACIVSA-N -1 0 342.391 3.810 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)c2cccc(OC3CCCC3)c2)c1 ZINC000739889374 600028603 /nfs/dbraw/zinc/02/86/03/600028603.db2.gz USVOSHCLODPFHD-UHFFFAOYSA-N -1 0 340.375 3.854 20 0 EHADRM CCC1CCC(N(C)C(=O)Nc2ccc(OCCC(=O)[O-])cc2)CC1 ZINC000736938930 600031650 /nfs/dbraw/zinc/03/16/50/600031650.db2.gz ARPVUEXWAHOQAT-UHFFFAOYSA-N -1 0 348.443 3.973 20 0 EHADRM CN(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237088042 600033977 /nfs/dbraw/zinc/03/39/77/600033977.db2.gz YACFVAHKIWLOLC-UHFFFAOYSA-N -1 0 331.799 3.629 20 0 EHADRM CCCOc1ccc(OC(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000737034268 600034489 /nfs/dbraw/zinc/03/44/89/600034489.db2.gz GIJCPIMUNMYFLI-UHFFFAOYSA-N -1 0 328.364 3.712 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NCC(=O)N(c1ccccc1)C(C)C ZINC000738541529 600036318 /nfs/dbraw/zinc/03/63/18/600036318.db2.gz UOVLUFLIPTTZFY-UHFFFAOYSA-N -1 0 326.396 3.547 20 0 EHADRM COc1ccccc1C/C(C)=C/C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000738124536 600037331 /nfs/dbraw/zinc/03/73/31/600037331.db2.gz QRROCRBLEGYWEM-OUKQBFOZSA-N -1 0 339.391 3.829 20 0 EHADRM CCN(C(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc(C)cc1C ZINC000737053132 600037953 /nfs/dbraw/zinc/03/79/53/600037953.db2.gz LNYJHUJXJRGJBW-UHFFFAOYSA-N -1 0 325.408 3.987 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000736763324 600038699 /nfs/dbraw/zinc/03/86/99/600038699.db2.gz OCLOGKASLPKKOW-FHLIZLRMSA-N -1 0 331.456 3.894 20 0 EHADRM O=C([O-])CCCCNC(=O)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000739667376 600038909 /nfs/dbraw/zinc/03/89/09/600038909.db2.gz FGRCZYMZUKTCHQ-UHFFFAOYSA-N -1 0 338.835 3.663 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N[C@H]2CCCCc3ccccc32)cc1 ZINC000532259824 600043048 /nfs/dbraw/zinc/04/30/48/600043048.db2.gz DLWNMVDJBVJHPB-IBGZPJMESA-N -1 0 337.419 3.901 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)CCc1ccc(Cl)cc1)C2 ZINC000740188269 600045158 /nfs/dbraw/zinc/04/51/58/600045158.db2.gz FWYFWVMFTYLWTP-UHFFFAOYSA-N -1 0 329.783 3.513 20 0 EHADRM O=C([O-])C1CCC(NC(=O)c2cccc(Oc3ccccc3)c2)CC1 ZINC000262070424 600048615 /nfs/dbraw/zinc/04/86/15/600048615.db2.gz JXJIFBLJMSNFAI-UHFFFAOYSA-N -1 0 339.391 3.852 20 0 EHADRM Cc1cc(C(=O)[O-])c2sc(NC(=O)c3ccccc3Cl)nc2n1 ZINC000738346560 600049810 /nfs/dbraw/zinc/04/98/10/600049810.db2.gz WTYTXYJUWWMHAQ-UHFFFAOYSA-N -1 0 347.783 3.604 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000610848394 600053444 /nfs/dbraw/zinc/05/34/44/600053444.db2.gz HMXYXBDUXBTFMC-UHFFFAOYSA-N -1 0 347.436 3.669 20 0 EHADRM C[C@@H]1CCCC[C@H]1NC(=S)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736786178 600056893 /nfs/dbraw/zinc/05/68/93/600056893.db2.gz SZAQTECMEAMMQV-BXKDBHETSA-N -1 0 325.409 3.781 20 0 EHADRM CC[C@@H](CC(=O)Oc1ccc(C(=O)[O-])cc1OC)c1ccccc1 ZINC000736893816 600060167 /nfs/dbraw/zinc/06/01/67/600060167.db2.gz LHEZVGGYDZRHST-ZDUSSCGKSA-N -1 0 328.364 3.883 20 0 EHADRM CC[C@H](CC(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000236930496 600060663 /nfs/dbraw/zinc/06/06/63/600060663.db2.gz IFBMWNVCDYRZAP-MRXNPFEDSA-N -1 0 325.408 3.627 20 0 EHADRM CN(C(=O)c1cc(F)c(Cl)nc1Cl)c1ccccc1C(=O)[O-] ZINC000737334397 600060899 /nfs/dbraw/zinc/06/08/99/600060899.db2.gz VTSYSAWOAMCOFM-UHFFFAOYSA-N -1 0 343.141 3.502 20 0 EHADRM Cc1ccccc1CCC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000738768551 600062561 /nfs/dbraw/zinc/06/25/61/600062561.db2.gz PPNCNKHADVLVLC-UHFFFAOYSA-N -1 0 345.826 3.694 20 0 EHADRM Cc1cccc(C[C@@H](CNC(=O)c2ccc(C(F)F)cc2)C(=O)[O-])c1 ZINC000738712120 600068012 /nfs/dbraw/zinc/06/80/12/600068012.db2.gz UKBNMJNPHXXDAM-INIZCTEOSA-N -1 0 347.361 3.606 20 0 EHADRM C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000649455979 600069039 /nfs/dbraw/zinc/06/90/39/600069039.db2.gz YMOKMWZXLGDRER-BPLDGKMQSA-N -1 0 329.421 3.559 20 0 EHADRM Cc1cc(C(=O)NCc2c3ccccc3sc2C(=O)[O-])ccc1F ZINC000676019030 600072323 /nfs/dbraw/zinc/07/23/23/600072323.db2.gz RTSUOTDBMMVIMV-UHFFFAOYSA-N -1 0 343.379 3.977 20 0 EHADRM Cc1cc2c[nH]nc2c(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])c1 ZINC000738335216 600073775 /nfs/dbraw/zinc/07/37/75/600073775.db2.gz DWIGMCHMICQGCS-UHFFFAOYSA-N -1 0 337.379 3.945 20 0 EHADRM Cc1ccc(-c2noc(COc3ccc(Cl)cc3C(=O)[O-])n2)cc1 ZINC000324616447 600080250 /nfs/dbraw/zinc/08/02/50/600080250.db2.gz PZYAWUCGWIPRPR-UHFFFAOYSA-N -1 0 344.754 3.976 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)Cc2c[nH]c3ccccc23)ccc1F ZINC000740004416 600089851 /nfs/dbraw/zinc/08/98/51/600089851.db2.gz AXCJBIQSQFYROS-UHFFFAOYSA-N -1 0 327.315 3.578 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)N[C@H]2CCOc3ccc(F)cc32)c1 ZINC000740043853 600096979 /nfs/dbraw/zinc/09/69/79/600096979.db2.gz ZSPWUOONZYRQKH-AWEZNQCLSA-N -1 0 345.330 3.561 20 0 EHADRM O=C([O-])c1ccc(-c2nc(Cc3cccc4cccnc43)no2)s1 ZINC000740097403 600108290 /nfs/dbraw/zinc/10/82/90/600108290.db2.gz HOZPQWRPCONSFC-UHFFFAOYSA-N -1 0 337.360 3.635 20 0 EHADRM Cc1ccc(OCCCC(=O)OCc2ccc(F)cc2C(=O)[O-])cc1 ZINC000738644215 600111155 /nfs/dbraw/zinc/11/11/55/600111155.db2.gz WETHZJDHDRDIHG-UHFFFAOYSA-N -1 0 346.354 3.735 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)c1ccc(C(F)(F)F)cc1 ZINC000740290453 600112503 /nfs/dbraw/zinc/11/25/03/600112503.db2.gz NAGHDEPBEKJOFE-UHFFFAOYSA-N -1 0 342.244 3.900 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)CCCC(C)(C)C ZINC000738524793 600119782 /nfs/dbraw/zinc/11/97/82/600119782.db2.gz HXKJLOBHYATSCX-CYBMUJFWSA-N -1 0 349.427 3.780 20 0 EHADRM CC(C)N(Cc1ccco1)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000736475284 600120782 /nfs/dbraw/zinc/12/07/82/600120782.db2.gz VGWOLIGWLLWLND-UHFFFAOYSA-N -1 0 331.372 3.836 20 0 EHADRM CC(C)N(Cc1ccco1)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736474318 600121710 /nfs/dbraw/zinc/12/17/10/600121710.db2.gz KCTWUBGUINIANS-UHFFFAOYSA-N -1 0 335.335 3.951 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2nccc3ccccc32)ccc1F ZINC000740011995 600122719 /nfs/dbraw/zinc/12/27/19/600122719.db2.gz IFRUVJUCPFOPHH-UHFFFAOYSA-N -1 0 325.299 3.716 20 0 EHADRM Cc1[nH]c2ccccc2c1C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000738246803 600123060 /nfs/dbraw/zinc/12/30/60/600123060.db2.gz LNIRQMNOJHWJHO-UHFFFAOYSA-N -1 0 327.315 3.958 20 0 EHADRM C[C@@H](CNC(=O)Nc1cccc(CSCCC(=O)[O-])c1)C1CC1 ZINC000736598183 600123603 /nfs/dbraw/zinc/12/36/03/600123603.db2.gz JALCPSQWGRINNX-LBPRGKRZSA-N -1 0 336.457 3.562 20 0 EHADRM O=C([O-])[C@@H]1CCCN(c2nc(-c3cccs3)nc3ccccc32)C1 ZINC000262074371 600125525 /nfs/dbraw/zinc/12/55/25/600125525.db2.gz CWXXOSWQCXIITL-GFCCVEGCSA-N -1 0 339.420 3.659 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000675945882 600126235 /nfs/dbraw/zinc/12/62/35/600126235.db2.gz GVWVWPMKTNVAIM-UHFFFAOYSA-N -1 0 348.402 3.799 20 0 EHADRM CC[C@@](NC(=O)c1cc2ccccc2nc1C)(C(=O)[O-])c1ccccc1 ZINC000736917184 600130396 /nfs/dbraw/zinc/13/03/96/600130396.db2.gz QFWJSIKRBBTBDP-NRFANRHFSA-N -1 0 348.402 3.663 20 0 EHADRM Cc1ccc(OC(=O)CCC(=O)c2cc(C)ccc2C)c(C(=O)[O-])c1 ZINC000738573614 600132123 /nfs/dbraw/zinc/13/21/23/600132123.db2.gz OQYQSZOUFMZBPN-UHFFFAOYSA-N -1 0 340.375 3.879 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)Oc1ccc(C)cc1C(=O)[O-] ZINC000738637357 600132285 /nfs/dbraw/zinc/13/22/85/600132285.db2.gz GEWHMGXMNWCKAV-UHFFFAOYSA-N -1 0 333.409 3.975 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000237315157 600140887 /nfs/dbraw/zinc/14/08/87/600140887.db2.gz IOXNCIYPNYGXNG-HZMBPMFUSA-N -1 0 344.238 3.638 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccc(-n2cccc2)c(F)c1)c1ccccc1 ZINC000740296596 600145833 /nfs/dbraw/zinc/14/58/33/600145833.db2.gz AEZJEMHHYXMYCP-QGZVFWFLSA-N -1 0 339.322 3.599 20 0 EHADRM Cc1oc(COC(=O)c2ccc(-n3cccc3)c(F)c2)cc1C(=O)[O-] ZINC000738979573 600145972 /nfs/dbraw/zinc/14/59/72/600145972.db2.gz BVZGIPLMGFUMDD-UHFFFAOYSA-N -1 0 343.310 3.573 20 0 EHADRM CCN(CC(=O)[O-])C(=O)c1ccc(-c2ccc(C)c(C)c2)cc1F ZINC000236981602 600146658 /nfs/dbraw/zinc/14/66/58/600146658.db2.gz NMYPAWAQMKCCOZ-UHFFFAOYSA-N -1 0 329.371 3.656 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)c1sccc1SC(F)F ZINC000739636391 600146880 /nfs/dbraw/zinc/14/68/80/600146880.db2.gz GBCCALBCVFLVFD-MRVPVSSYSA-N -1 0 335.397 3.532 20 0 EHADRM C/C(=C\C(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1)c1ccc(F)cc1 ZINC000736120076 600160448 /nfs/dbraw/zinc/16/04/48/600160448.db2.gz DZDMSWJWUCQJGB-GPZRYRNASA-N -1 0 341.382 3.522 20 0 EHADRM O=C([O-])c1ccc(S(=O)(=O)N(c2ccccc2)C2CCCC2)cc1 ZINC000740172513 600162222 /nfs/dbraw/zinc/16/22/22/600162222.db2.gz BYIHGEHJNNOLGI-UHFFFAOYSA-N -1 0 345.420 3.523 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N[C@H](c2ccccc2)C2CCC2)cc1 ZINC000263219700 600163251 /nfs/dbraw/zinc/16/32/51/600163251.db2.gz KGZJPTIYFUEZET-GOSISDBHSA-N -1 0 338.407 3.725 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)c(F)c1 ZINC000390936548 600168003 /nfs/dbraw/zinc/16/80/03/600168003.db2.gz HRMBFTNXTHYQTG-UHFFFAOYSA-N -1 0 333.746 3.848 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(Br)s2)c(F)c1 ZINC000063008829 600168071 /nfs/dbraw/zinc/16/80/71/600168071.db2.gz GTOIBLPMWAHEBS-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000738125628 600175791 /nfs/dbraw/zinc/17/57/91/600175791.db2.gz HSHXAAVRQRHAOI-CHWSQXEVSA-N -1 0 346.379 3.860 20 0 EHADRM Cc1ccc([C@H](CNC(=O)Nc2c(C)cc(C)cc2C)C(=O)[O-])cc1 ZINC000738561414 600176820 /nfs/dbraw/zinc/17/68/20/600176820.db2.gz OOXWCANWJHPSHU-KRWDZBQOSA-N -1 0 340.423 3.910 20 0 EHADRM CCN(C(=O)Nc1cccc(NC(=O)[O-])c1)[C@H](C)c1cccnc1 ZINC000737058065 600182195 /nfs/dbraw/zinc/18/21/95/600182195.db2.gz KUJTWTFFNHORLJ-GFCCVEGCSA-N -1 0 328.372 3.787 20 0 EHADRM C[C@H](CNC(=O)Nc1cccc(CSCC(=O)[O-])c1)C(C)(C)C ZINC000736598086 600183429 /nfs/dbraw/zinc/18/34/29/600183429.db2.gz HAXJVQRWXOHCNG-GFCCVEGCSA-N -1 0 338.473 3.808 20 0 EHADRM O=C([O-])CCc1nc(CSCc2cccc3ccccc32)no1 ZINC000739772437 600187714 /nfs/dbraw/zinc/18/77/14/600187714.db2.gz NUUUPYQCLNEDBA-UHFFFAOYSA-N -1 0 328.393 3.673 20 0 EHADRM CCCC[C@@H](CC)CNC(=S)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000736980759 600188777 /nfs/dbraw/zinc/18/87/77/600188777.db2.gz BZAZBYMNPSWQAW-UKRRQHHQSA-N -1 0 334.485 3.766 20 0 EHADRM CCc1ccccc1NC(=S)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000737275583 600189015 /nfs/dbraw/zinc/18/90/15/600189015.db2.gz YXXUGVWMNYPTJL-AWEZNQCLSA-N -1 0 326.421 3.634 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)OCCc1cccs1)C(=O)[O-] ZINC000736716969 600189914 /nfs/dbraw/zinc/18/99/14/600189914.db2.gz MHRKQWGYHHFZML-NSHDSACASA-N -1 0 336.434 3.713 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000738121988 600199826 /nfs/dbraw/zinc/19/98/26/600199826.db2.gz VLHXJBFRRIBEJC-PKNBQFBNSA-N -1 0 329.327 3.575 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)C[C@H](C)c1ccccc1C ZINC000737862872 600205708 /nfs/dbraw/zinc/20/57/08/600205708.db2.gz AFSLKBKNQLRWLZ-ZDUSSCGKSA-N -1 0 328.364 3.801 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000237445797 600206105 /nfs/dbraw/zinc/20/61/05/600206105.db2.gz YHGFHOBEJCCMMO-HNNXBMFYSA-N -1 0 325.408 3.546 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)c1 ZINC000238149661 600206316 /nfs/dbraw/zinc/20/63/16/600206316.db2.gz DQKVVGSXWVPOJW-VHSXEESVSA-N -1 0 335.281 3.544 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NCc2cn3cc(Cl)ccc3n2)c1 ZINC000740071771 600207918 /nfs/dbraw/zinc/20/79/18/600207918.db2.gz BGHCZKHBFQGWCX-UHFFFAOYSA-N -1 0 336.178 3.951 20 0 EHADRM Cc1ccc([C@H](CNC(=O)C[C@H](C)c2cccc(F)c2)C(=O)[O-])cc1 ZINC000486389924 600212298 /nfs/dbraw/zinc/21/22/98/600212298.db2.gz YDJVHIQGIQMNES-KSSFIOAISA-N -1 0 343.398 3.612 20 0 EHADRM Cc1cc(Nc2cccc(CSCC(=O)[O-])c2)nc(C2CC2)n1 ZINC000738463846 600213921 /nfs/dbraw/zinc/21/39/21/600213921.db2.gz PXCFMWOFOWRDAG-UHFFFAOYSA-N -1 0 329.425 3.724 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000320768928 600214432 /nfs/dbraw/zinc/21/44/32/600214432.db2.gz PSPBNPCCBPFLOF-UHFFFAOYSA-N -1 0 334.759 3.578 20 0 EHADRM C[C@H](CC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21)c1ccc(F)cc1 ZINC000262694104 600223109 /nfs/dbraw/zinc/22/31/09/600223109.db2.gz DBFPEYNLKGOEAN-MLGOLLRUSA-N -1 0 327.355 3.534 20 0 EHADRM CCOc1cc(NC(=O)Nc2cccc(NC(=O)[O-])c2)ccc1OC ZINC000737192071 600229593 /nfs/dbraw/zinc/22/95/93/600229593.db2.gz QGKNBKGVAOYAHK-UHFFFAOYSA-N -1 0 345.355 3.828 20 0 EHADRM O=C([O-])c1ccc(-c2noc(C[C@H]3CCc4ccccc4C3)n2)cc1 ZINC000740101431 600245816 /nfs/dbraw/zinc/24/58/16/600245816.db2.gz LHZKIKLRMVMBEO-ZDUSSCGKSA-N -1 0 334.375 3.782 20 0 EHADRM Cc1ccc(OC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)c(C(=O)[O-])c1 ZINC000738635572 600246074 /nfs/dbraw/zinc/24/60/74/600246074.db2.gz DSMQUYLEIDUONL-GHMZBOCLSA-N -1 0 332.302 3.681 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)/C=C\c1ccc(Cl)cc1 ZINC000738084892 600248326 /nfs/dbraw/zinc/24/83/26/600248326.db2.gz JADCFCXLPBOESF-YFHOEESVSA-N -1 0 332.739 3.666 20 0 EHADRM O=C([O-])c1cccc(C(=O)N(Cc2ccccc2)c2ccccc2)n1 ZINC000345803668 600248662 /nfs/dbraw/zinc/24/86/62/600248662.db2.gz KRRMRHPTSWLMMK-UHFFFAOYSA-N -1 0 332.359 3.627 20 0 EHADRM COc1ccc(NC(=O)CCc2cc(Cl)cs2)c(C(=O)[O-])c1 ZINC000567079428 600250762 /nfs/dbraw/zinc/25/07/62/600250762.db2.gz HZEMBFDTOWLOPX-UHFFFAOYSA-N -1 0 339.800 3.680 20 0 EHADRM O=C([O-])CSCCNC(=O)c1cc(-c2ccccc2)ccc1Cl ZINC000238063737 600251356 /nfs/dbraw/zinc/25/13/56/600251356.db2.gz QYSRGBHJTDWTIO-UHFFFAOYSA-N -1 0 349.839 3.555 20 0 EHADRM CN(C(=O)CCc1cc(Cl)cs1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737320204 600252001 /nfs/dbraw/zinc/25/20/01/600252001.db2.gz XCSKAPGGOGDLRJ-OAHLLOKOSA-N -1 0 337.828 3.618 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)cc2c1C ZINC000237810754 600254916 /nfs/dbraw/zinc/25/49/16/600254916.db2.gz LTSQOHAVSPDYTK-KKXDTOCCSA-N -1 0 340.423 3.643 20 0 EHADRM Cc1cc(F)cc2[nH]c(C(=O)Nc3cccc(NC(=O)[O-])c3)cc21 ZINC000738397485 600255194 /nfs/dbraw/zinc/25/51/94/600255194.db2.gz QEFHYDGDDLUEOJ-UHFFFAOYSA-N -1 0 327.315 3.958 20 0 EHADRM CCSc1cccc(NC(=O)c2cccc(OCC(=O)[O-])c2)c1 ZINC000737230475 600256959 /nfs/dbraw/zinc/25/69/59/600256959.db2.gz YXEQLEDTGBVYMG-UHFFFAOYSA-N -1 0 331.393 3.514 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc(C(=O)[O-])s1 ZINC000237311844 600258549 /nfs/dbraw/zinc/25/85/49/600258549.db2.gz PAAXBMPNYGVWNR-JTQLQIEISA-N -1 0 337.828 3.803 20 0 EHADRM Cc1[nH]c(C(=O)N2CCCCC[C@@H]2c2ccco2)c(C)c1C(=O)[O-] ZINC000738159506 600259140 /nfs/dbraw/zinc/25/91/40/600259140.db2.gz LPPLMXLIATZUJZ-CYBMUJFWSA-N -1 0 330.384 3.680 20 0 EHADRM O=C([O-])c1cccc(Oc2nc(-c3ccccn3)nc3c2CCC3)c1 ZINC000740232096 600260161 /nfs/dbraw/zinc/26/01/61/600260161.db2.gz QBQVJMVIJBFKAK-UHFFFAOYSA-N -1 0 333.347 3.518 20 0 EHADRM C[C@H](OC(=O)CCc1cc(Cl)cs1)c1ccc(C(=O)[O-])o1 ZINC000736694654 600271865 /nfs/dbraw/zinc/27/18/65/600271865.db2.gz ZZNJWQFHCBYHHB-QMMMGPOBSA-N -1 0 328.773 3.930 20 0 EHADRM CC(C)(NC(=O)Nc1cc(C(=O)[O-])ccc1F)c1cccc(F)c1 ZINC000736325310 600275270 /nfs/dbraw/zinc/27/52/70/600275270.db2.gz ZAKZESOREYQLKD-UHFFFAOYSA-N -1 0 334.322 3.720 20 0 EHADRM COc1ccccc1C(=O)CSc1nc2ccc(C(=O)[O-])cc2o1 ZINC000738115689 600275824 /nfs/dbraw/zinc/27/58/24/600275824.db2.gz ONHZAGOPCOAGJO-UHFFFAOYSA-N -1 0 343.360 3.510 20 0 EHADRM C[C@@H](NC(=S)Nc1ccc(CNC(=O)[O-])cc1)c1ccccc1 ZINC000736661235 600280299 /nfs/dbraw/zinc/28/02/99/600280299.db2.gz UJSHGGPOUZTZJK-GFCCVEGCSA-N -1 0 329.425 3.502 20 0 EHADRM CC[C@@H](C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)c1ccccc1 ZINC000736847470 600281777 /nfs/dbraw/zinc/28/17/77/600281777.db2.gz KPIQHDDZSUTBLE-QGZVFWFLSA-N -1 0 326.396 3.929 20 0 EHADRM O=C([O-])c1sc(N[C@H](c2ccccc2)[C@@H]2CCCO2)nc1Cl ZINC000740280291 600282477 /nfs/dbraw/zinc/28/24/77/600282477.db2.gz VLEQSWQAGDBKPR-WDEREUQCSA-N -1 0 338.816 3.827 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000738840182 600283119 /nfs/dbraw/zinc/28/31/19/600283119.db2.gz BMNWFJFXFRSART-UHFFFAOYSA-N -1 0 347.440 3.937 20 0 EHADRM COc1cc(Cl)ccc1C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000737888705 600285790 /nfs/dbraw/zinc/28/57/90/600285790.db2.gz GDYKXKFFNALPMN-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM C[C@@H](Cc1ccsc1)NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000388562028 600288983 /nfs/dbraw/zinc/28/89/83/600288983.db2.gz ZZKKMSBTFCZKDN-VIFPVBQESA-N -1 0 338.816 3.852 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N[C@H]2CCc3ccc(F)cc32)c1 ZINC000739463811 600291260 /nfs/dbraw/zinc/29/12/60/600291260.db2.gz WQTVHPLKNAZOSE-HNNXBMFYSA-N -1 0 348.761 3.986 20 0 EHADRM CC(C)c1ccccc1OCC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736522947 600293740 /nfs/dbraw/zinc/29/37/40/600293740.db2.gz KPVNPTATLQFLMU-UHFFFAOYSA-N -1 0 342.395 3.595 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000738120806 600294978 /nfs/dbraw/zinc/29/49/78/600294978.db2.gz NNXZOCHBNBGYAT-QBFSEMIESA-N -1 0 340.379 3.505 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000738120805 600295061 /nfs/dbraw/zinc/29/50/61/600295061.db2.gz NNXZOCHBNBGYAT-ACCUITESSA-N -1 0 340.379 3.505 20 0 EHADRM Cn1c2ccccc2nc1[C@H]1CCCCN1Cc1ccc(C(=O)[O-])o1 ZINC000739012881 600314894 /nfs/dbraw/zinc/31/48/94/600314894.db2.gz SVYALLUWTPZWDD-MRXNPFEDSA-N -1 0 339.395 3.592 20 0 EHADRM CN(Cc1ccc(NCc2nc(-c3cccs3)no2)cc1)C(=O)[O-] ZINC000737485881 600314933 /nfs/dbraw/zinc/31/49/33/600314933.db2.gz JWGJDGHOTGXRJG-UHFFFAOYSA-N -1 0 344.396 3.520 20 0 EHADRM COc1ccccc1CCC(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000738125432 600321259 /nfs/dbraw/zinc/32/12/59/600321259.db2.gz BRIDOBRUVCXTNX-QGZVFWFLSA-N -1 0 348.782 3.650 20 0 EHADRM CC(C)c1nc(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)cs1 ZINC000736526586 600328239 /nfs/dbraw/zinc/32/82/39/600328239.db2.gz YPUZSGISWRJNAL-LBPRGKRZSA-N -1 0 339.800 3.903 20 0 EHADRM C[C@@H]1CCCC[C@@H]1OCC(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000736786190 600330462 /nfs/dbraw/zinc/33/04/62/600330462.db2.gz TWGKHZFOYIGZRN-WPGHFRTFSA-N -1 0 340.803 3.604 20 0 EHADRM COc1cc(F)ccc1NC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000737889037 600335906 /nfs/dbraw/zinc/33/59/06/600335906.db2.gz IDYFSCLBJCLZJV-UHFFFAOYSA-N -1 0 347.346 3.588 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)Nc2ccc(Cl)c(F)c2)cc1 ZINC000739990332 600337405 /nfs/dbraw/zinc/33/74/05/600337405.db2.gz AWVKQTYANJADKC-UHFFFAOYSA-N -1 0 337.738 3.891 20 0 EHADRM CN(Cc1ccc(NC(=O)NC2(c3ccccc3)CC2)cc1)C(=O)[O-] ZINC000737483687 600343202 /nfs/dbraw/zinc/34/32/02/600343202.db2.gz SQRZVYFARFLWRT-UHFFFAOYSA-N -1 0 339.395 3.607 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)c2ccccc21 ZINC000736813744 600347271 /nfs/dbraw/zinc/34/72/71/600347271.db2.gz UQUYKXHSZOVRSK-CYBMUJFWSA-N -1 0 339.395 3.952 20 0 EHADRM O=C([O-])c1coc(-c2csc(-c3ccc4c(c3)OCCO4)n2)c1 ZINC000320666937 600349720 /nfs/dbraw/zinc/34/97/20/600349720.db2.gz XJZMLFIGJOKGJY-UHFFFAOYSA-N -1 0 329.333 3.540 20 0 EHADRM C[C@@H](CN(C)C(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccccc1 ZINC000736569531 600352004 /nfs/dbraw/zinc/35/20/04/600352004.db2.gz UMBUPLGAYZYMJR-AWEZNQCLSA-N -1 0 341.411 3.722 20 0 EHADRM Cc1cc(C(F)(F)F)c(NCCc2ccc(NC(=O)[O-])cc2)nn1 ZINC000738353417 600363587 /nfs/dbraw/zinc/36/35/87/600363587.db2.gz YCWAZDKHPHIYHO-UHFFFAOYSA-N -1 0 340.305 3.548 20 0 EHADRM Cc1nc(NCCc2ccc(NC(=O)[O-])cc2)cc(-c2cccnc2)n1 ZINC000738864917 600364981 /nfs/dbraw/zinc/36/49/81/600364981.db2.gz MAEMFWYNFFKBDQ-UHFFFAOYSA-N -1 0 349.394 3.592 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)Nc1cc(C)c(C(=O)[O-])s1 ZINC000738121621 600368597 /nfs/dbraw/zinc/36/85/97/600368597.db2.gz RQLGRHQVMNOQIU-CSKARUKUSA-N -1 0 331.393 3.805 20 0 EHADRM COc1ccccc1C/C(C)=C/C(=O)Nc1cc(C)c(C(=O)[O-])s1 ZINC000738123303 600372528 /nfs/dbraw/zinc/37/25/28/600372528.db2.gz DAECHQWVHKSMFS-PKNBQFBNSA-N -1 0 345.420 3.891 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000736625206 600377216 /nfs/dbraw/zinc/37/72/16/600377216.db2.gz DLVBRRAZQVZYBW-LBPRGKRZSA-N -1 0 330.359 3.757 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)CSc1ccc(C)cc1)c1ccccc1 ZINC000736852288 600379178 /nfs/dbraw/zinc/37/91/78/600379178.db2.gz MZCIMYANILEHAD-QGZVFWFLSA-N -1 0 343.448 3.984 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1ccccc1OC(F)F)c1ccccc1 ZINC000736852036 600379286 /nfs/dbraw/zinc/37/92/86/600379286.db2.gz VLYJBTKTDBAEHO-CQSZACIVSA-N -1 0 349.333 3.798 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@@H](C)Oc1ccc(C)cc1)c1ccccc1 ZINC000736850389 600379398 /nfs/dbraw/zinc/37/93/98/600379398.db2.gz WKYVDWGRSNXLFR-QAPCUYQASA-N -1 0 341.407 3.659 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC000736852624 600379632 /nfs/dbraw/zinc/37/96/32/600379632.db2.gz NWIFEGVEHATIMB-OAHLLOKOSA-N -1 0 335.762 3.989 20 0 EHADRM C[C@H]1Cc2ccccc2[C@H]1NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000736826130 600379967 /nfs/dbraw/zinc/37/99/67/600379967.db2.gz PRGUCBUHLHGWLP-FVMDXXJSSA-N -1 0 346.333 3.718 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)/C=C\c1ccnc2ccccc12)c1ccccc1 ZINC000255696485 600381304 /nfs/dbraw/zinc/38/13/04/600381304.db2.gz FSWWBOZXZMHVPV-OEIFXAAASA-N -1 0 346.386 3.580 20 0 EHADRM CC[C@@H](CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccccc1 ZINC000736905059 600382036 /nfs/dbraw/zinc/38/20/36/600382036.db2.gz PVIBUOSCCHCPTQ-LBPRGKRZSA-N -1 0 330.359 3.839 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@@H](c2cccs2)C2CC2)ccc1F ZINC000739470791 600386170 /nfs/dbraw/zinc/38/61/70/600386170.db2.gz GDQDLUWDUOVELI-CQSZACIVSA-N -1 0 334.372 3.858 20 0 EHADRM Cc1ccccc1C1(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)CC1 ZINC000738761813 600387901 /nfs/dbraw/zinc/38/79/01/600387901.db2.gz WYOQWAMAZYKYKJ-UHFFFAOYSA-N -1 0 342.370 3.686 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)CCc1cc(F)ccc1F)c1ccccc1 ZINC000736845705 600388100 /nfs/dbraw/zinc/38/81/00/600388100.db2.gz CLTKXRPRJZMTHC-QGZVFWFLSA-N -1 0 347.361 3.794 20 0 EHADRM O=C([O-])CCC(=O)Nc1nc(-c2ccccc2C(F)(F)F)cs1 ZINC000738566554 600390198 /nfs/dbraw/zinc/39/01/98/600390198.db2.gz ZPCQPHFCSOCZKE-UHFFFAOYSA-N -1 0 344.314 3.632 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)o1 ZINC000736766700 600391376 /nfs/dbraw/zinc/39/13/76/600391376.db2.gz VPVXAEBPVOKNNS-CABZTGNLSA-N -1 0 332.331 3.562 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)CC[C@@H]2CCCO2)cc1 ZINC000236610079 600393043 /nfs/dbraw/zinc/39/30/43/600393043.db2.gz IYWVICBBYPANSV-IRXDYDNUSA-N -1 0 347.455 3.575 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccccc1OC ZINC000736913962 600397412 /nfs/dbraw/zinc/39/74/12/600397412.db2.gz KGRIERBBPNVQTE-CQSZACIVSA-N -1 0 346.358 3.805 20 0 EHADRM Cc1cccc(C(C)(C)CNC(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC000738691480 600398776 /nfs/dbraw/zinc/39/87/76/600398776.db2.gz AMFYMKOSJVVETP-UHFFFAOYSA-N -1 0 344.386 3.932 20 0 EHADRM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCO[C@@H](c2ccccc2F)C1 ZINC000576522236 600403345 /nfs/dbraw/zinc/40/33/45/600403345.db2.gz BNHXYJKNWZUDMK-IAGOWNOFSA-N -1 0 349.789 3.678 20 0 EHADRM CC[C@H](C)[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736871025 600408293 /nfs/dbraw/zinc/40/82/93/600408293.db2.gz NKIWEYLRQOGXHB-IUCAKERBSA-N -1 0 330.331 3.542 20 0 EHADRM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2ccc(C(=O)[O-])cn2)cc1 ZINC000192969423 600415334 /nfs/dbraw/zinc/41/53/34/600415334.db2.gz LMVBXNDBVSAHJM-KBXCAEBGSA-N -1 0 338.407 3.702 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)COc1ccc(Cl)c2ccccc12 ZINC000262097696 600415746 /nfs/dbraw/zinc/41/57/46/600415746.db2.gz HDKWDSJZNUXIMP-UHFFFAOYSA-N -1 0 349.814 3.632 20 0 EHADRM C[C@@H]1CCc2[nH]c3ccc(C(=O)NC(C)(C)CCC(=O)[O-])cc3c2C1 ZINC000362470761 600415803 /nfs/dbraw/zinc/41/58/03/600415803.db2.gz YXLHJPYUFJBVNG-GFCCVEGCSA-N -1 0 342.439 3.666 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000236835671 600418398 /nfs/dbraw/zinc/41/83/98/600418398.db2.gz GIDKMAWKAULUGZ-WDEREUQCSA-N -1 0 344.238 3.857 20 0 EHADRM O=C([O-])[C@H](Nc1ccc2c(c1)NC(=O)CS2)c1cccc(Cl)c1 ZINC000740306872 600420350 /nfs/dbraw/zinc/42/03/50/600420350.db2.gz HLTZSATVKHAPQE-OAHLLOKOSA-N -1 0 348.811 3.622 20 0 EHADRM COc1ccc(N[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1NC(C)=O ZINC000738038351 600420455 /nfs/dbraw/zinc/42/04/55/600420455.db2.gz FGWFSIYNGOUNAE-INIZCTEOSA-N -1 0 348.786 3.545 20 0 EHADRM CC(C)NC(=O)c1ccc(N[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000736476996 600426504 /nfs/dbraw/zinc/42/65/04/600426504.db2.gz AVQOXJZZXCDTMA-INIZCTEOSA-N -1 0 346.814 3.716 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC000738553611 600431616 /nfs/dbraw/zinc/43/16/16/600431616.db2.gz WZKYANBMATWVLJ-ZDUSSCGKSA-N -1 0 342.395 3.618 20 0 EHADRM O=C([O-])c1cc(OCc2coc(-c3cccs3)n2)ccc1[N+](=O)[O-] ZINC000327080689 600444327 /nfs/dbraw/zinc/44/43/27/600444327.db2.gz GIFYAQHNUSAVAU-UHFFFAOYSA-N -1 0 346.320 3.589 20 0 EHADRM Cc1cccc(OCCC(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)c1C ZINC000738734730 600450563 /nfs/dbraw/zinc/45/05/63/600450563.db2.gz OVMRQPWFQMXNRI-GOSISDBHSA-N -1 0 346.354 3.581 20 0 EHADRM Cc1ccc(CCCC(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000738589666 600452009 /nfs/dbraw/zinc/45/20/09/600452009.db2.gz TVTSLEOCSPEEFR-SFHVURJKSA-N -1 0 330.355 3.826 20 0 EHADRM O=C([O-])[C@@H](OC(=O)CCc1ccc(Cl)s1)c1ccc(F)cc1 ZINC000739261641 600452578 /nfs/dbraw/zinc/45/25/78/600452578.db2.gz XKXNFTXQMCHXLC-AWEZNQCLSA-N -1 0 342.775 3.842 20 0 EHADRM C[C@H](CC(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1F ZINC000736555211 600454672 /nfs/dbraw/zinc/45/46/72/600454672.db2.gz CQBSGTFYUCWTTQ-DIFFPNOSSA-N -1 0 334.318 3.828 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736904641 600456383 /nfs/dbraw/zinc/45/63/83/600456383.db2.gz VYNHIPUVDLTEIU-PBHICJAKSA-N -1 0 330.355 3.764 20 0 EHADRM Cc1[nH]c(C(=O)[C@@H](C)OC(=O)/C=C\C2CCCCC2)c(C)c1C(=O)[O-] ZINC000738236846 600458322 /nfs/dbraw/zinc/45/83/22/600458322.db2.gz PUONBCKNDYIOFJ-ASCRHOAZSA-N -1 0 347.411 3.581 20 0 EHADRM Cc1cc(NC(=O)N[C@H]2CSc3ccccc32)ccc1C(=O)[O-] ZINC000738440163 600463440 /nfs/dbraw/zinc/46/34/40/600463440.db2.gz DWURXEPNXNDGRT-AWEZNQCLSA-N -1 0 328.393 3.662 20 0 EHADRM CC[C@@H](CC(=O)OCC(=O)c1cc(C(=O)[O-])co1)c1ccc(C)cc1 ZINC000736892488 600466821 /nfs/dbraw/zinc/46/68/21/600466821.db2.gz QPDFNKLMBBBTKI-ZDUSSCGKSA-N -1 0 344.363 3.596 20 0 EHADRM CC(C)[C@H](OC(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000736622661 600468606 /nfs/dbraw/zinc/46/86/06/600468606.db2.gz UIYRXJNGQJFIRC-GWCFXTLKSA-N -1 0 332.318 3.536 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NCCc2cccs2)cc1Cl ZINC000740161790 600474176 /nfs/dbraw/zinc/47/41/76/600474176.db2.gz QIKWVUVSEZXXQA-UHFFFAOYSA-N -1 0 340.857 3.629 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)[C@@H]1CSc2ccccc21 ZINC000387448061 600474998 /nfs/dbraw/zinc/47/49/98/600474998.db2.gz QEYBGNXFDPYESQ-GFCCVEGCSA-N -1 0 333.796 3.866 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1ccccc1OC1CCC1 ZINC000740188169 600475157 /nfs/dbraw/zinc/47/51/57/600475157.db2.gz HLMANYPALYVNPB-UHFFFAOYSA-N -1 0 337.375 3.519 20 0 EHADRM Cc1ccc([C@@H](C)CNC(=O)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC000738550694 600476709 /nfs/dbraw/zinc/47/67/09/600476709.db2.gz FUEFFMUZPRMSRI-ZDUSSCGKSA-N -1 0 326.396 3.927 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000736904360 600478075 /nfs/dbraw/zinc/47/80/75/600478075.db2.gz UAOAIARSPGKEMO-QGZVFWFLSA-N -1 0 325.408 3.612 20 0 EHADRM CC[C@H](c1ccncc1)N(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000736930045 600478283 /nfs/dbraw/zinc/47/82/83/600478283.db2.gz UAFXWCHVNCJFLJ-OAHLLOKOSA-N -1 0 331.347 3.534 20 0 EHADRM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000237445255 600478351 /nfs/dbraw/zinc/47/83/51/600478351.db2.gz NJEWBEWOASPQSJ-LLVKDONJSA-N -1 0 333.771 3.753 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)Nc1cc(OC)ccc1C(=O)[O-] ZINC000736902646 600479944 /nfs/dbraw/zinc/47/99/44/600479944.db2.gz AIRIOBKZWUOHDY-AWEZNQCLSA-N -1 0 327.380 3.601 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2ccccc2CCc2ccccc2)o1 ZINC000238128241 600479933 /nfs/dbraw/zinc/47/99/33/600479933.db2.gz NVUWYRKLRMTMBO-UHFFFAOYSA-N -1 0 349.386 3.693 20 0 EHADRM O=C([O-])CCCOc1ccc(CNC(=O)CC2CCCCC2)cc1 ZINC000237993123 600481205 /nfs/dbraw/zinc/48/12/05/600481205.db2.gz AIYSFMWCFSXJQC-UHFFFAOYSA-N -1 0 333.428 3.517 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)ccc1F ZINC000237792874 600482280 /nfs/dbraw/zinc/48/22/80/600482280.db2.gz RVZRBSDDWXNZHQ-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)/C=C/c2ccccc2)cc1 ZINC000238003338 600483186 /nfs/dbraw/zinc/48/31/86/600483186.db2.gz WXJYBCOZKIHLHK-MDWZMJQESA-N -1 0 325.364 3.582 20 0 EHADRM CCc1[nH]c(C(=O)N[C@@H](c2ccccc2C)C2CC2)c(C)c1C(=O)[O-] ZINC000737242818 600484582 /nfs/dbraw/zinc/48/45/82/600484582.db2.gz WGYZEEQLWRFFNE-GOSISDBHSA-N -1 0 340.423 3.773 20 0 EHADRM CCCC1CCC(NC(=O)NCCc2ccc(NC(=O)[O-])cc2)CC1 ZINC000736972773 600491601 /nfs/dbraw/zinc/49/16/01/600491601.db2.gz GLHSPRZITXBUSM-UHFFFAOYSA-N -1 0 347.459 3.977 20 0 EHADRM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)NCCCCC(=O)[O-])cc1 ZINC000666562022 600492427 /nfs/dbraw/zinc/49/24/27/600492427.db2.gz NTXYXXOIBRBWPW-YJBOKZPZSA-N -1 0 332.444 3.733 20 0 EHADRM CC[C@H](C)[C@H]1CCCCN1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736881110 600498326 /nfs/dbraw/zinc/49/83/26/600498326.db2.gz WJNKOFYBPOCFAU-WMLDXEAASA-N -1 0 347.459 3.929 20 0 EHADRM CC[C@H]1CCCN(C(=O)NCCc2ccc(NC(=O)[O-])cc2)CC1 ZINC000736939994 600498726 /nfs/dbraw/zinc/49/87/26/600498726.db2.gz PQSJHUFOBOGUMQ-AWEZNQCLSA-N -1 0 333.432 3.541 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CN1CCc2ccc(Br)cc21 ZINC000713324804 600502231 /nfs/dbraw/zinc/50/22/31/600502231.db2.gz PFJIKONCFYHFNG-UHFFFAOYSA-N -1 0 336.185 3.611 20 0 EHADRM O=C([O-])c1ccc(CNc2nc(-c3cccnc3)nc3ccccc32)o1 ZINC000740135404 600503399 /nfs/dbraw/zinc/50/33/99/600503399.db2.gz ZZZLYKUIIVVPEP-UHFFFAOYSA-N -1 0 346.346 3.595 20 0 EHADRM C[C@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000736719420 600509667 /nfs/dbraw/zinc/50/96/67/600509667.db2.gz YTTGYRUURCXRNS-SNVBAGLBSA-N -1 0 348.786 3.969 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@@H]2C[C@@H]2c2ccccc2)cc1Cl ZINC000321405245 600510307 /nfs/dbraw/zinc/51/03/07/600510307.db2.gz AOWRDLXYKHORDF-UKRRQHHQSA-N -1 0 330.771 3.716 20 0 EHADRM CC(C)n1cc([C@@H](C)NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cn1 ZINC000736649619 600512541 /nfs/dbraw/zinc/51/25/41/600512541.db2.gz USMQNBTZWHMTLQ-SNVBAGLBSA-N -1 0 349.366 3.576 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CC[C@@H](c3ccco3)C2)cc1Cl ZINC000740148728 600517340 /nfs/dbraw/zinc/51/73/40/600517340.db2.gz ZKNHIQUCVCOGDF-SNVBAGLBSA-N -1 0 334.759 3.653 20 0 EHADRM O=C([O-])c1cc(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)ccc1F ZINC000739339519 600522917 /nfs/dbraw/zinc/52/29/17/600522917.db2.gz XQHJPOVHZBBSKL-UHFFFAOYSA-N -1 0 346.745 3.840 20 0 EHADRM CS[C@@H](C(=O)Nc1ccc(N(C)C(=O)[O-])cc1)c1ccccc1 ZINC000738141837 600525496 /nfs/dbraw/zinc/52/54/96/600525496.db2.gz IIDLTIZITQQYKE-OAHLLOKOSA-N -1 0 330.409 3.844 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)NCc1ccc(C(=O)[O-])o1 ZINC000736562922 600530081 /nfs/dbraw/zinc/53/00/81/600530081.db2.gz PELMVLTWYVCNHL-ZDUSSCGKSA-N -1 0 344.411 3.533 20 0 EHADRM CC(C)(C)[C@H](NC(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)[O-] ZINC000675986637 600530369 /nfs/dbraw/zinc/53/03/69/600530369.db2.gz VULCIJPOGKYSLT-QGZVFWFLSA-N -1 0 347.386 3.634 20 0 EHADRM CCN(C(=O)[C@H](C)c1ccc(OC)cc1)c1ccccc1C(=O)[O-] ZINC000737049056 600531589 /nfs/dbraw/zinc/53/15/89/600531589.db2.gz AYSZCJXDTYPNRA-CYBMUJFWSA-N -1 0 327.380 3.550 20 0 EHADRM Cc1ccccc1[C@@H](CC(C)C)NC(=O)NCc1ccc(C(=O)[O-])o1 ZINC000738759458 600533724 /nfs/dbraw/zinc/53/37/24/600533724.db2.gz YFYSMIOFQXLZIW-MRXNPFEDSA-N -1 0 344.411 3.873 20 0 EHADRM CCN(c1ccc(NC(=O)NCc2ccc(C(=O)[O-])o2)cc1)C(C)C ZINC000737109362 600539697 /nfs/dbraw/zinc/53/96/97/600539697.db2.gz YKUIONZKZKZEHL-UHFFFAOYSA-N -1 0 345.399 3.534 20 0 EHADRM O=C([O-])CCCc1nnc(NC(=O)CCCC2CCCCC2)s1 ZINC000739704443 600539934 /nfs/dbraw/zinc/53/99/34/600539934.db2.gz UMOBDCMIMZBYJL-UHFFFAOYSA-N -1 0 339.461 3.635 20 0 EHADRM CC(C)[C@@H](c1ccccc1)N(C)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263493826 600547784 /nfs/dbraw/zinc/54/77/84/600547784.db2.gz SDJLOAKDJNRPJZ-JCYILVPMSA-N -1 0 332.444 3.669 20 0 EHADRM CC(C)[C@@H](C)C(=O)N(C)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000736350335 600554977 /nfs/dbraw/zinc/55/49/77/600554977.db2.gz YALVWEMYSQXCQT-NOZJJQNGSA-N -1 0 332.227 3.870 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000236752278 600556998 /nfs/dbraw/zinc/55/69/98/600556998.db2.gz IFIWXZYBUCLBJD-RYUDHWBXSA-N -1 0 344.238 3.809 20 0 EHADRM COc1ccc2cc([C@H](C)C(=O)N(CCC(=O)[O-])C(C)C)ccc2c1 ZINC000237320840 600558083 /nfs/dbraw/zinc/55/80/83/600558083.db2.gz LGHWPROQJMYQPA-AWEZNQCLSA-N -1 0 343.423 3.664 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000236776162 600563042 /nfs/dbraw/zinc/56/30/42/600563042.db2.gz HCGDSVFNTBIOEU-UHFFFAOYSA-N -1 0 343.448 3.839 20 0 EHADRM Cc1c2ccccc2oc1COC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000738290094 600567275 /nfs/dbraw/zinc/56/72/75/600567275.db2.gz ZMTFTTSMQNWLOT-UHFFFAOYSA-N -1 0 340.331 3.562 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)C[C@H]1OCCc2ccccc21 ZINC000739225277 600571268 /nfs/dbraw/zinc/57/12/68/600571268.db2.gz OVFJZOHELKCLNN-MRXNPFEDSA-N -1 0 345.782 3.681 20 0 EHADRM Cc1ccccc1OCCCN(C)C(=O)c1ccccc1NC(=O)[O-] ZINC000738784619 600572482 /nfs/dbraw/zinc/57/24/82/600572482.db2.gz HYQITAUMXAEOAT-UHFFFAOYSA-N -1 0 342.395 3.626 20 0 EHADRM Cc1ccccc1-c1nc(C(=O)O[C@@H](CC(C)C)C(=O)[O-])cs1 ZINC000738756818 600574062 /nfs/dbraw/zinc/57/40/62/600574062.db2.gz UPZXDWWCQVZBAI-AWEZNQCLSA-N -1 0 333.409 3.775 20 0 EHADRM COc1ccc2cc(NC(=O)c3ccccc3NC(=O)[O-])ccc2n1 ZINC000738078419 600577664 /nfs/dbraw/zinc/57/76/64/600577664.db2.gz FQRNSFQGNNBXQN-UHFFFAOYSA-N -1 0 337.335 3.586 20 0 EHADRM O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)cn1 ZINC000321531671 600584753 /nfs/dbraw/zinc/58/47/53/600584753.db2.gz DXBNYNDZGBSIRA-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)Oc2ccccc2CC(=O)[O-])cc1 ZINC000736890847 600586567 /nfs/dbraw/zinc/58/65/67/600586567.db2.gz IQTJUMBHZMIYIX-CYBMUJFWSA-N -1 0 348.420 3.595 20 0 EHADRM CC[C@@H](NC(=O)CS[C@H](C)CC(=O)[O-])c1ccc(Cl)cc1 ZINC000736909938 600592244 /nfs/dbraw/zinc/59/22/44/600592244.db2.gz AZENDEJYKFXFIT-ZWNOBZJWSA-N -1 0 329.849 3.504 20 0 EHADRM Cc1ccc(Nc2ccccc2C(=O)N(C)C[C@H](C)C(=O)[O-])cc1 ZINC000561492979 600594911 /nfs/dbraw/zinc/59/49/11/600594911.db2.gz SQRVPRVDJOHDFE-AWEZNQCLSA-N -1 0 326.396 3.531 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000738756200 600595049 /nfs/dbraw/zinc/59/50/49/600595049.db2.gz IJSAFFRFIZXENP-KXBFYZLASA-N -1 0 325.408 3.773 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000236760818 600595879 /nfs/dbraw/zinc/59/58/79/600595879.db2.gz DHPYYFFOUVKFPM-UHFFFAOYSA-N -1 0 343.210 3.800 20 0 EHADRM C[C@@H](CS[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000736621167 600596116 /nfs/dbraw/zinc/59/61/16/600596116.db2.gz ZHYUJCNESHPYNI-YUMQZZPRSA-N -1 0 336.240 3.774 20 0 EHADRM CCC/C=C\C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000736976310 600599014 /nfs/dbraw/zinc/59/90/14/600599014.db2.gz ZHMIXEQGDWMYHO-NFVXFYCRSA-N -1 0 325.408 3.556 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000738213719 600601156 /nfs/dbraw/zinc/60/11/56/600601156.db2.gz OVSNZBKVHDSEMR-OAHLLOKOSA-N -1 0 349.839 3.960 20 0 EHADRM O=C([O-])c1cccc(NC(=O)NCC2(c3cccc(Cl)c3)CC2)c1 ZINC000739408265 600601413 /nfs/dbraw/zinc/60/14/13/600601413.db2.gz YHVQOTNXEITHMI-UHFFFAOYSA-N -1 0 344.798 3.892 20 0 EHADRM CC(C)Oc1ccc(Cl)cc1C(=O)N(CC(=O)[O-])c1ccccc1 ZINC000736494672 600604499 /nfs/dbraw/zinc/60/44/99/600604499.db2.gz PVRYHJROKFZVDD-UHFFFAOYSA-N -1 0 347.798 3.859 20 0 EHADRM CCc1sc(-c2nnc(CSC[C@H](C)C(=O)[O-])o2)cc1C ZINC000737291560 600604634 /nfs/dbraw/zinc/60/46/34/600604634.db2.gz CSGASXVHWJGAOF-VIFPVBQESA-N -1 0 326.443 3.623 20 0 EHADRM CCCCCOc1ccc(C(=O)N(CC(=O)[O-])c2ccccc2)cc1 ZINC000736989960 600605069 /nfs/dbraw/zinc/60/50/69/600605069.db2.gz DXDZOGKAMMZABY-UHFFFAOYSA-N -1 0 341.407 3.987 20 0 EHADRM O=C([O-])c1ccc(-c2noc(-c3ccccc3Br)n2)cc1 ZINC000041721837 600614194 /nfs/dbraw/zinc/61/41/94/600614194.db2.gz IUNNUFCLOZCVDE-UHFFFAOYSA-N -1 0 345.152 3.864 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)c2coc3ccccc23)cc1 ZINC000238208215 600617493 /nfs/dbraw/zinc/61/74/93/600617493.db2.gz KAQIIVFLCOQZHS-UHFFFAOYSA-N -1 0 325.320 3.539 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1coc2ccccc12)c1ccc(F)cc1 ZINC000362440059 600617602 /nfs/dbraw/zinc/61/76/02/600617602.db2.gz LUPOUENGYICTCI-HNNXBMFYSA-N -1 0 327.311 3.518 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)CN(C)C(=O)[O-])[C@H]1CCC[C@H](C)C1 ZINC000738758219 600623947 /nfs/dbraw/zinc/62/39/47/600623947.db2.gz LREFCFIKARGOCU-DHSIGJKJSA-N -1 0 332.444 3.588 20 0 EHADRM Cc1nc2sc3c(c2c(SC[C@@H](C)C(=O)[O-])n1)CC[C@@H](C)C3 ZINC000738869309 600626154 /nfs/dbraw/zinc/62/61/54/600626154.db2.gz JMMQJAMMJKJAHW-RKDXNWHRSA-N -1 0 336.482 3.937 20 0 EHADRM CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)c1ccc(C(=O)[O-])nc1 ZINC000236719206 600633871 /nfs/dbraw/zinc/63/38/71/600633871.db2.gz QXHYRBWQEQNVEV-MRXNPFEDSA-N -1 0 346.814 3.903 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)NCCc1ccc(F)cc1Cl ZINC000740045859 600635573 /nfs/dbraw/zinc/63/55/73/600635573.db2.gz OCOANHBFEALLKD-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(NCC3CCSCC3)c12 ZINC000649387545 600637627 /nfs/dbraw/zinc/63/76/27/600637627.db2.gz WZIQRQOURWRJSK-UHFFFAOYSA-N -1 0 337.470 3.561 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000736621964 600643053 /nfs/dbraw/zinc/64/30/53/600643053.db2.gz HYXUTCNQLRCJNT-TVQRCGJNSA-N -1 0 346.254 3.788 20 0 EHADRM CC(C)[C@@H](NC(=O)NCCCCC(=O)[O-])c1ccccc1Cl ZINC000666529895 600643625 /nfs/dbraw/zinc/64/36/25/600643625.db2.gz DTMFXYPYVAZUSG-OAHLLOKOSA-N -1 0 326.824 3.591 20 0 EHADRM CCN(C(=O)/C=C/c1ccnc2ccccc12)c1ccccc1C(=O)[O-] ZINC000737053347 600646691 /nfs/dbraw/zinc/64/66/91/600646691.db2.gz RUOYOHGAFWTPJU-VAWYXSNFSA-N -1 0 346.386 3.999 20 0 EHADRM CCN(C(=O)[C@H](C)Cc1ccc(F)cc1)c1ccccc1C(=O)[O-] ZINC000737050252 600647372 /nfs/dbraw/zinc/64/73/72/600647372.db2.gz KMAONKVVWMTHFD-CYBMUJFWSA-N -1 0 329.371 3.756 20 0 EHADRM CCN(C(=O)CCCc1ccc(OC)cc1)c1ccccc1C(=O)[O-] ZINC000737053390 600647668 /nfs/dbraw/zinc/64/76/68/600647668.db2.gz UGDMYVVZRSKQOF-UHFFFAOYSA-N -1 0 341.407 3.769 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@H]2CC(=O)[O-])cc1 ZINC000679397725 600661539 /nfs/dbraw/zinc/66/15/39/600661539.db2.gz RTICLCVYOUMRQC-BZSNNMDCSA-N -1 0 329.440 3.769 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCCC[C@@H]2Cc2ccccc2)C1 ZINC000262532946 600664335 /nfs/dbraw/zinc/66/43/35/600664335.db2.gz ITNAEBXDVVJYTA-RCCFBDPRSA-N -1 0 329.440 3.501 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)c1cc2c(cccc2F)s1 ZINC000739892379 600675390 /nfs/dbraw/zinc/67/53/90/600675390.db2.gz PCUCUXVDGFINDR-UHFFFAOYSA-N -1 0 330.336 3.887 20 0 EHADRM Cc1cc(F)cc2[nH]c(C(=O)O[C@H](C(=O)[O-])c3ccccc3F)cc21 ZINC000832887890 600678724 /nfs/dbraw/zinc/67/87/24/600678724.db2.gz LKIQZSMAAODQRO-INIZCTEOSA-N -1 0 345.301 3.737 20 0 EHADRM Cc1cccc2c(CCC(=O)O[C@@H](C(=O)[O-])c3ccccc3)c[nH]c21 ZINC000832975991 600686586 /nfs/dbraw/zinc/68/65/86/600686586.db2.gz FZMMNHOVXDKJFU-LJQANCHMSA-N -1 0 337.375 3.778 20 0 EHADRM CC(C)C[C@H](C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccccc1 ZINC000736401262 600696390 /nfs/dbraw/zinc/69/63/90/600696390.db2.gz FRIUWEXWBGQYAQ-DLBZAZTESA-N -1 0 329.440 3.530 20 0 EHADRM O=C([O-])c1cccc(-c2noc([C@H]3SCCc4ccccc43)n2)c1 ZINC000833327777 600700465 /nfs/dbraw/zinc/70/04/65/600700465.db2.gz FYFYZYWBRRVDIC-HNNXBMFYSA-N -1 0 338.388 3.814 20 0 EHADRM C[C@@H](C(=O)OCc1ccoc1C(=O)[O-])c1ccccc1C(F)(F)F ZINC000826071344 600701488 /nfs/dbraw/zinc/70/14/88/600701488.db2.gz KTMKVALZTBKKHM-SECBINFHSA-N -1 0 342.269 3.844 20 0 EHADRM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)c1ccc(C(=O)[O-])cn1 ZINC000190653998 600701570 /nfs/dbraw/zinc/70/15/70/600701570.db2.gz OKXFDMMAZJIOLP-AWEZNQCLSA-N -1 0 338.407 3.783 20 0 EHADRM Cc1cc(COC(=O)[C@@H]2CCSc3ccccc32)oc1C(=O)[O-] ZINC000832884887 600710401 /nfs/dbraw/zinc/71/04/01/600710401.db2.gz HFUSJPGWOATLAT-CYBMUJFWSA-N -1 0 332.377 3.609 20 0 EHADRM C[C@@H](C(=O)OCc1c2ccccc2sc1C(=O)[O-])C(F)(F)F ZINC000826064851 600725863 /nfs/dbraw/zinc/72/58/63/600725863.db2.gz QGMIZEDBEWTMJM-ZETCQYMHSA-N -1 0 332.299 3.841 20 0 EHADRM Cc1cc(COC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)oc1C(=O)[O-] ZINC000832885389 600737933 /nfs/dbraw/zinc/73/79/33/600737933.db2.gz MZIRCLUNOUGXDW-OXJNMPFZSA-N -1 0 340.375 3.624 20 0 EHADRM O=C([O-])[C@@H](Nc1ccc(N2CCCC2)c(F)c1)c1ccccc1F ZINC000833168876 600741620 /nfs/dbraw/zinc/74/16/20/600741620.db2.gz FRYCWBJHEHHLSL-KRWDZBQOSA-N -1 0 332.350 3.803 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)NC2(c3cccc(Cl)c3)CC2)c1 ZINC000739463093 600743692 /nfs/dbraw/zinc/74/36/92/600743692.db2.gz LLSILEIEAAOKBE-UHFFFAOYSA-N -1 0 348.761 3.988 20 0 EHADRM O=C([O-])c1cc(NC(=O)NC2(c3cccc(Cl)c3)CC2)ccc1F ZINC000739471474 600745235 /nfs/dbraw/zinc/74/52/35/600745235.db2.gz LGIXZYSDQAECCZ-UHFFFAOYSA-N -1 0 348.761 3.988 20 0 EHADRM O=C([O-])[C@@H](Nc1ccc(OC2CCCC2)nc1)c1ccccc1F ZINC000833170574 600747362 /nfs/dbraw/zinc/74/73/62/600747362.db2.gz QNWFCWROONCCPY-KRWDZBQOSA-N -1 0 330.359 3.780 20 0 EHADRM Cc1cc(N[C@@H](C(=O)[O-])c2ccccc2F)ccc1C(=O)NC(C)C ZINC000832896539 600747693 /nfs/dbraw/zinc/74/76/93/600747693.db2.gz BTKKWGWZBQOIBG-QGZVFWFLSA-N -1 0 344.386 3.510 20 0 EHADRM Cc1cccnc1CN[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000832983990 600748167 /nfs/dbraw/zinc/74/81/67/600748167.db2.gz SBFINCNGNRBNMA-CQSZACIVSA-N -1 0 325.195 3.612 20 0 EHADRM O=C([O-])[C@@H](Nc1ccc(Br)c(F)c1)c1ccccc1F ZINC000833169547 600755747 /nfs/dbraw/zinc/75/57/47/600755747.db2.gz UNYCNYDUAOUVJE-ZDUSSCGKSA-N -1 0 342.139 3.965 20 0 EHADRM Cc1ccc(C(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)c(C)c1 ZINC000237844032 600794212 /nfs/dbraw/zinc/79/42/12/600794212.db2.gz PTMHPKXPRCGBEY-UHFFFAOYSA-N -1 0 347.361 3.699 20 0 EHADRM O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)CC1=CCCCC1 ZINC000238138590 600795595 /nfs/dbraw/zinc/79/55/95/600795595.db2.gz IREVBATYKLAWHM-UHFFFAOYSA-N -1 0 337.366 3.659 20 0 EHADRM C[C@H](C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1)c1ccsc1 ZINC000776674799 600798190 /nfs/dbraw/zinc/79/81/90/600798190.db2.gz VJDMEXOZYIJTPH-IINYFYTJSA-N -1 0 337.828 3.837 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cc2ccsc2[nH]1)c1cccc(Cl)c1 ZINC000833199426 600798487 /nfs/dbraw/zinc/79/84/87/600798487.db2.gz YJGONOUBUFXJFL-GFCCVEGCSA-N -1 0 348.811 3.829 20 0 EHADRM CCOc1ccccc1OCCOc1ccc(Cl)cc1C(=O)[O-] ZINC000011956553 600802585 /nfs/dbraw/zinc/80/25/85/600802585.db2.gz JFTXQPQZJRMBBW-UHFFFAOYSA-N -1 0 336.771 3.895 20 0 EHADRM Cc1cc(C)cc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000776679120 600808339 /nfs/dbraw/zinc/80/83/39/600808339.db2.gz VMAQYVJFQARUEQ-INIZCTEOSA-N -1 0 331.799 3.903 20 0 EHADRM CC(C)C[C@@H](CNc1nn2cc(-c3ccccc3)nc2s1)C(=O)[O-] ZINC000826786041 600815746 /nfs/dbraw/zinc/81/57/46/600815746.db2.gz JKPPYDRPMCCTJQ-ZDUSSCGKSA-N -1 0 344.440 3.617 20 0 EHADRM Cc1ccccc1O[C@@H](C)CNc1nc(Cl)c(C(=O)[O-])s1 ZINC000832978744 600822100 /nfs/dbraw/zinc/82/21/00/600822100.db2.gz ABXDKMKXPGKMDZ-VIFPVBQESA-N -1 0 326.805 3.683 20 0 EHADRM C[C@@H](Nc1nc(Cl)c(C(=O)[O-])s1)c1cccc(-n2ccnc2)c1 ZINC000827773674 600825088 /nfs/dbraw/zinc/82/50/88/600825088.db2.gz UQURJRNYJGRIKE-SECBINFHSA-N -1 0 348.815 3.854 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000738541441 600832905 /nfs/dbraw/zinc/83/29/05/600832905.db2.gz SQYWWBFKOPWDAI-GXTWGEPZSA-N -1 0 332.302 3.681 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1C[C@@H]1C1CCCCC1)c1ccc(F)cc1 ZINC000262664921 600835303 /nfs/dbraw/zinc/83/53/03/600835303.db2.gz VLPZUWXNSVCRQH-IKGGRYGDSA-N -1 0 333.403 3.674 20 0 EHADRM Cc1ccc(C)c([C@@H]2CN(Cc3ccc(C(=O)[O-])o3)[C@@H](C)CO2)c1 ZINC000579848102 600835767 /nfs/dbraw/zinc/83/57/67/600835767.db2.gz MQNQVIRDMYFHPV-KSSFIOAISA-N -1 0 329.396 3.557 20 0 EHADRM O=C([O-])[C@@H](Sc1nc(C2CC2)n[nH]1)c1ccc(Cl)cc1Cl ZINC000833168888 600836611 /nfs/dbraw/zinc/83/66/11/600836611.db2.gz GATZAXCEEJDZMR-JTQLQIEISA-N -1 0 344.223 3.907 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N1CCN(Cc2cc(C(=O)[O-])co2)CC1 ZINC000827935016 600838122 /nfs/dbraw/zinc/83/81/22/600838122.db2.gz LYPIHVOSUZBISX-ZDUSSCGKSA-N -1 0 348.830 3.510 20 0 EHADRM CCc1ccc(CC(=O)Nc2cccc(CSCC(=O)[O-])c2)cc1 ZINC000237160472 600838990 /nfs/dbraw/zinc/83/89/90/600838990.db2.gz UDLHUYIJRCLLLQ-UHFFFAOYSA-N -1 0 343.448 3.748 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2CCC[C@H](C)C2)cc1 ZINC000345996660 600839003 /nfs/dbraw/zinc/83/90/03/600839003.db2.gz OLAWVMSZBVPFJX-NOLJZWGESA-N -1 0 335.469 3.867 20 0 EHADRM O=C([O-])c1cccc(-c2nc(=O)c3c4c(sc3[nH]2)CCCCC4)c1 ZINC000046703408 600845615 /nfs/dbraw/zinc/84/56/15/600845615.db2.gz PUHUOWUFPJQYDO-UHFFFAOYSA-N -1 0 340.404 3.619 20 0 EHADRM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000262166869 600846532 /nfs/dbraw/zinc/84/65/32/600846532.db2.gz UJAQGIFOGMBFNN-MSOLQXFVSA-N -1 0 339.391 3.800 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)c2ccc(OC(F)F)cc2)c2ccccc21 ZINC000327593513 600856415 /nfs/dbraw/zinc/85/64/15/600856415.db2.gz SJIDOZIWHGOBGS-LBPRGKRZSA-N -1 0 347.317 3.507 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)CCc2cc(Cl)cs2)c2ccccc21 ZINC000739639715 600856775 /nfs/dbraw/zinc/85/67/75/600856775.db2.gz BSLWEZRZRWPTBP-LLVKDONJSA-N -1 0 349.839 3.939 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)c2ccc(C(F)F)cc2)c2ccccc21 ZINC000739645329 600859777 /nfs/dbraw/zinc/85/97/77/600859777.db2.gz CNWKESHBYZYAAM-CYBMUJFWSA-N -1 0 331.318 3.843 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)[C@H]2SCCc3ccccc32)cc1 ZINC000833285203 600862278 /nfs/dbraw/zinc/86/22/78/600862278.db2.gz BQLXEYYUUSPDPK-HNNXBMFYSA-N -1 0 328.393 3.746 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)CCSc2ccccc2)c2ccccc21 ZINC000325344489 600862876 /nfs/dbraw/zinc/86/28/76/600862876.db2.gz LCDZVXZXWPWWGX-AWEZNQCLSA-N -1 0 341.432 3.774 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000262331344 600863189 /nfs/dbraw/zinc/86/31/89/600863189.db2.gz FALFPXIYSHTUGG-UWIFEVILSA-N -1 0 347.430 3.639 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)c1cccc(F)c1Cl ZINC000675945239 600868654 /nfs/dbraw/zinc/86/86/54/600868654.db2.gz BRMLBNVBYPJPTG-UHFFFAOYSA-N -1 0 335.762 3.596 20 0 EHADRM O=C([O-])c1cc(NC(=O)C[C@H]2C=CCC2)c(Br)cc1F ZINC000739218788 600868846 /nfs/dbraw/zinc/86/88/46/600868846.db2.gz NPEOADKKXDOQRK-QMMMGPOBSA-N -1 0 342.164 3.581 20 0 EHADRM Cc1oc(COC(=O)CCc2c[nH]c3ccc(C)cc23)cc1C(=O)[O-] ZINC000832960371 600869728 /nfs/dbraw/zinc/86/97/28/600869728.db2.gz QBSXYIGNIPUJJL-UHFFFAOYSA-N -1 0 341.363 3.752 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)C[C@H]2CCCC[C@H]2C)c1OC ZINC000538505456 600877470 /nfs/dbraw/zinc/87/74/70/600877470.db2.gz VZZSNAKZLVEPSL-VXGBXAGGSA-N -1 0 335.400 3.557 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2SCCc3sccc32)c(F)c1 ZINC000343105021 600877814 /nfs/dbraw/zinc/87/78/14/600877814.db2.gz UECMGBJYOJYDHZ-ZDUSSCGKSA-N -1 0 337.397 3.555 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)c1cccc(F)c1Cl)c1ccccc1 ZINC000139241032 600878962 /nfs/dbraw/zinc/87/89/62/600878962.db2.gz XRCFYLBCCCSNHQ-CQSZACIVSA-N -1 0 335.762 3.815 20 0 EHADRM CC(C)Oc1ccc([C@H](C)NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000245743245 600885550 /nfs/dbraw/zinc/88/55/50/600885550.db2.gz RXYRCFQIQUMYJF-NUEKZKHPSA-N -1 0 333.428 3.542 20 0 EHADRM CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000506675745 600890104 /nfs/dbraw/zinc/89/01/04/600890104.db2.gz QJWHEXDGEPBTHE-UHFFFAOYSA-N -1 0 347.436 3.525 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H]2CCc2ccccc2)C1 ZINC000245726877 600896678 /nfs/dbraw/zinc/89/66/78/600896678.db2.gz PPWQPLHOSNFLII-KZNAEPCWSA-N -1 0 329.440 3.501 20 0 EHADRM C[C@@H]1CCC[C@@H](C(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)C1 ZINC000237530265 600901844 /nfs/dbraw/zinc/90/18/44/600901844.db2.gz PGWBRMGJMFLQLQ-CHWSQXEVSA-N -1 0 340.423 3.577 20 0 EHADRM C[C@H](CC(=O)NCCCCC(=O)[O-])c1ccccc1C(F)(F)F ZINC000237617877 600903635 /nfs/dbraw/zinc/90/36/35/600903635.db2.gz SZYYFOFFMGXFOR-LLVKDONJSA-N -1 0 331.334 3.570 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)cc2)oc1C ZINC000679390171 600904864 /nfs/dbraw/zinc/90/48/64/600904864.db2.gz YMYULCAMGFQAGQ-CABCVRRESA-N -1 0 342.395 3.788 20 0 EHADRM CCc1ccc([C@@H]2CCCCN2C(=O)c2ccc(C(=O)[O-])s2)o1 ZINC000263543494 600914359 /nfs/dbraw/zinc/91/43/59/600914359.db2.gz SAKUFFSYNGNLSX-LBPRGKRZSA-N -1 0 333.409 3.969 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1cc(Cl)ccc1OC(C)C)C(=O)[O-] ZINC000486287785 600921533 /nfs/dbraw/zinc/92/15/33/600921533.db2.gz YSJIWYFRGXOECX-GFCCVEGCSA-N -1 0 341.835 3.604 20 0 EHADRM CC(C)C[C@@H](CNC(=O)c1cccc2c3c([nH]c21)CCCC3)C(=O)[O-] ZINC000486302985 600924427 /nfs/dbraw/zinc/92/44/27/600924427.db2.gz ZVYMXBDJRKDZIP-ZDUSSCGKSA-N -1 0 342.439 3.523 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1cccc2c3c([nH]c21)CCCC3)C(=O)[O-] ZINC000486302984 600924468 /nfs/dbraw/zinc/92/44/68/600924468.db2.gz ZVYMXBDJRKDZIP-CYBMUJFWSA-N -1 0 342.439 3.523 20 0 EHADRM CC(C)C[C@H](CNC(=O)C[C@H](c1ccccc1)C(F)(F)F)C(=O)[O-] ZINC000262522461 600925725 /nfs/dbraw/zinc/92/57/25/600925725.db2.gz QWKSUTDQSWKZOV-ZIAGYGMSSA-N -1 0 345.361 3.586 20 0 EHADRM CCC(CC)(NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000094239669 600927204 /nfs/dbraw/zinc/92/72/04/600927204.db2.gz IERGYNINCZEMMZ-SNVBAGLBSA-N -1 0 329.849 3.580 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N(Cc2ccco2)c2ccccc2)C1 ZINC000833183962 600929687 /nfs/dbraw/zinc/92/96/87/600929687.db2.gz BGSAHTWSTAJPRN-GJZGRUSLSA-N -1 0 327.380 3.704 20 0 EHADRM Cc1cccc([C@H]2CCCCN2C(=O)c2cccc(C(=O)[O-])n2)c1C ZINC000362538689 600932581 /nfs/dbraw/zinc/93/25/81/600932581.db2.gz YAZVWMKUCVLPIK-GOSISDBHSA-N -1 0 338.407 3.764 20 0 EHADRM CCCC[C@@H](Sc1nc2sc(C)c(C)c2c(N)n1)C(=O)[O-] ZINC000736986403 600937358 /nfs/dbraw/zinc/93/73/58/600937358.db2.gz VUEMPAMBXKYOQQ-SECBINFHSA-N -1 0 325.459 3.626 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)[C@@H]2C[C@]23CCCc2ccccc23)cc1 ZINC000833266171 600939503 /nfs/dbraw/zinc/93/95/03/600939503.db2.gz LJHBTGCXCROIOB-RXVVDRJESA-N -1 0 336.387 3.513 20 0 EHADRM CCCCN(C)c1ccc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000829381040 600940477 /nfs/dbraw/zinc/94/04/77/600940477.db2.gz IRDOWWLQQOLQIW-GJZGRUSLSA-N -1 0 332.444 3.752 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OC(=O)[C@H]1SCCc2ccccc21 ZINC000832918487 600940705 /nfs/dbraw/zinc/94/07/05/600940705.db2.gz JEPXXISATSSYER-INIZCTEOSA-N -1 0 328.389 3.629 20 0 EHADRM CC[C@](C)(NC(=O)Nc1ccc(C(=O)[O-])cc1)c1nc(C)cs1 ZINC000736861512 600941249 /nfs/dbraw/zinc/94/12/49/600941249.db2.gz MZZYVWQHBCJGGU-INIZCTEOSA-N -1 0 333.413 3.597 20 0 EHADRM O=C([O-])c1cccc(COC(=O)c2ccc(OC3CCC3)cc2)c1 ZINC000833329228 600945170 /nfs/dbraw/zinc/94/51/70/600945170.db2.gz IFGVJADCLHGJKD-UHFFFAOYSA-N -1 0 326.348 3.673 20 0 EHADRM CC(C)C[C@@H](OC(=O)[C@H](C)c1ccc(Br)s1)C(=O)[O-] ZINC000826814201 600949114 /nfs/dbraw/zinc/94/91/14/600949114.db2.gz QYCZNPOZTKQASV-RKDXNWHRSA-N -1 0 349.246 3.657 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(F)cc1Cl ZINC000245684415 600961571 /nfs/dbraw/zinc/96/15/71/600961571.db2.gz JILNLGWKJJQFPT-HBNTYKKESA-N -1 0 327.783 3.547 20 0 EHADRM Cc1ccc(CN(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)C2CC2)cc1C ZINC000180019373 600966600 /nfs/dbraw/zinc/96/66/00/600966600.db2.gz GTZOBCZCHBRBNR-IRXDYDNUSA-N -1 0 329.440 3.685 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccc(CC(F)(F)F)cc2)C1 ZINC000180010600 600968569 /nfs/dbraw/zinc/96/85/69/600968569.db2.gz ZGOMIMQQLZOADJ-VXGBXAGGSA-N -1 0 329.318 3.621 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)o1 ZINC000245651645 600977506 /nfs/dbraw/zinc/97/75/06/600977506.db2.gz CSLPXJMTTGZOJG-BVUBDWEXSA-N -1 0 333.428 3.779 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000321542651 600995419 /nfs/dbraw/zinc/99/54/19/600995419.db2.gz OHJGOCXNOXQDCQ-SNVBAGLBSA-N -1 0 332.322 3.574 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccc(-c2nccs2)cc1)C(=O)[O-] ZINC000424475515 600998185 /nfs/dbraw/zinc/99/81/85/600998185.db2.gz SOEJGSWPFNZQOX-CYBMUJFWSA-N -1 0 347.440 3.679 20 0 EHADRM O=C([O-])[C@@H](c1ccccc1F)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000582910794 600998754 /nfs/dbraw/zinc/99/87/54/600998754.db2.gz VLVBPAMWJZUQBW-DLBZAZTESA-N -1 0 349.789 3.678 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)c1cc2cccc(F)c2o1 ZINC000739723643 600998871 /nfs/dbraw/zinc/99/88/71/600998871.db2.gz PNTBVGCTHIBRCT-UHFFFAOYSA-N -1 0 341.338 3.689 20 0 EHADRM C[C@@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000540670817 601002029 /nfs/dbraw/zinc/00/20/29/601002029.db2.gz FPXGLHQNBPCVHN-GFCCVEGCSA-N -1 0 331.799 3.800 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000236736550 601006325 /nfs/dbraw/zinc/00/63/25/601006325.db2.gz ZVNIYYMYKJSNTO-GOSISDBHSA-N -1 0 339.391 3.587 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@H](C)c2cccc(Cl)c2)c1 ZINC000737932103 601010616 /nfs/dbraw/zinc/01/06/16/601010616.db2.gz RIZDYFALCCSMCM-SNVBAGLBSA-N -1 0 333.771 3.789 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@H]2CCSc3ccccc32)c1 ZINC000737935930 601010831 /nfs/dbraw/zinc/01/08/31/601010831.db2.gz WGSPJNFSHVMRRZ-ZDUSSCGKSA-N -1 0 343.404 3.612 20 0 EHADRM CCSCC[C@@H](C)NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000160580952 601013465 /nfs/dbraw/zinc/01/34/65/601013465.db2.gz RALRJIMYLKAWBS-SECBINFHSA-N -1 0 330.837 3.691 20 0 EHADRM CCn1nc(C)c(NC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1C ZINC000830441105 601014149 /nfs/dbraw/zinc/01/41/49/601014149.db2.gz UZSXYWMONYEZBJ-UHFFFAOYSA-N -1 0 336.779 3.515 20 0 EHADRM Cc1ccc(CC[C@@H](C)NC(=O)Nc2cccc(C(=O)[O-])c2C)o1 ZINC000832930515 601015686 /nfs/dbraw/zinc/01/56/86/601015686.db2.gz PNUXYJTYQWYZRR-LLVKDONJSA-N -1 0 330.384 3.737 20 0 EHADRM CC[C@@H](C)Oc1ccc(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000828764912 601028921 /nfs/dbraw/zinc/02/89/21/601028921.db2.gz QOZBYRABXLYBBY-KGLIPLIRSA-N -1 0 336.432 3.732 20 0 EHADRM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000828121153 601036965 /nfs/dbraw/zinc/03/69/65/601036965.db2.gz FELCEPQCTUMPGD-YJBOKZPZSA-N -1 0 343.358 3.767 20 0 EHADRM COc1cccc(F)c1[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000832558516 601040347 /nfs/dbraw/zinc/04/03/47/601040347.db2.gz NASQDBLXNSJLJV-LLVKDONJSA-N -1 0 346.358 3.724 20 0 EHADRM CCO[C@@H]1C[C@H](NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)C12CCCC2 ZINC000829925741 601041829 /nfs/dbraw/zinc/04/18/29/601041829.db2.gz SAAZFENRWJFXJR-JKSUJKDBSA-N -1 0 346.427 3.553 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)N2CCC(C3CCCC3)CC2)cc1 ZINC000833280808 601053496 /nfs/dbraw/zinc/05/34/96/601053496.db2.gz BISQAPOBBPYZGZ-UHFFFAOYSA-N -1 0 345.443 3.888 20 0 EHADRM O=C([O-])C1(NC(=O)c2ccc(N3CCCCC3)cc2)CCCCCC1 ZINC000833128178 601056921 /nfs/dbraw/zinc/05/69/21/601056921.db2.gz AFGRACFXBDWVJH-UHFFFAOYSA-N -1 0 344.455 3.584 20 0 EHADRM C[C@H](CCOc1ccccc1)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000827417455 601061575 /nfs/dbraw/zinc/06/15/75/601061575.db2.gz JCNUJHZNLXROAW-CQSZACIVSA-N -1 0 342.395 3.845 20 0 EHADRM O=C([O-])c1ccc(OCCOC(=O)/C=C/c2ccccc2)c(Cl)c1 ZINC000833094816 601064108 /nfs/dbraw/zinc/06/41/08/601064108.db2.gz KXVSVVAOULWVOH-RMKNXTFCSA-N -1 0 346.766 3.674 20 0 EHADRM O=C([O-])[C@H](OC(=O)/C=C\c1ccc(Cl)cc1)c1ccccc1F ZINC000833095110 601065164 /nfs/dbraw/zinc/06/51/64/601065164.db2.gz QAOOVQNBBHBQOC-BSDKJSHOSA-N -1 0 334.730 3.861 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)c1cccc2cnccc21)c1ccccc1 ZINC000833222590 601067538 /nfs/dbraw/zinc/06/75/38/601067538.db2.gz UOTLQPVKSLTFEK-GOSISDBHSA-N -1 0 334.375 3.571 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1sccc1-n1cccc1)c1ccccc1F ZINC000833351875 601072461 /nfs/dbraw/zinc/07/24/61/601072461.db2.gz PKDKXOWFVXXLGJ-AWEZNQCLSA-N -1 0 345.351 3.661 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000262171368 601079264 /nfs/dbraw/zinc/07/92/64/601079264.db2.gz NWUFDUARMNQTJU-IAGOWNOFSA-N -1 0 343.448 3.542 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1cc2ccccc2[nH]1 ZINC000833179363 601079799 /nfs/dbraw/zinc/07/97/99/601079799.db2.gz NCADUMMZGWEKLK-CRAIPNDOSA-N -1 0 340.423 3.664 20 0 EHADRM CSCc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2F)ccc1F ZINC000237383795 601080284 /nfs/dbraw/zinc/08/02/84/601080284.db2.gz LHCUPUQNYNHPID-UHFFFAOYSA-N -1 0 337.347 3.778 20 0 EHADRM O=C([O-])CCCCNC(=O)c1ccc(Oc2ccccc2Cl)nc1 ZINC000773231594 601081851 /nfs/dbraw/zinc/08/18/51/601081851.db2.gz FCRPOXYVURFCTR-UHFFFAOYSA-N -1 0 348.786 3.512 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)/C=C\c1cccs1 ZINC000833177824 601082661 /nfs/dbraw/zinc/08/26/61/601082661.db2.gz RPEBUQMHRXUYNN-SVUXDUJVSA-N -1 0 333.453 3.643 20 0 EHADRM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000357429562 601085528 /nfs/dbraw/zinc/08/55/28/601085528.db2.gz YJUBQTZSVVDUBH-SJCJKPOMSA-N -1 0 327.355 3.747 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N2CCc3ccccc3C2)cc1 ZINC000327133394 601085618 /nfs/dbraw/zinc/08/56/18/601085618.db2.gz AUBFEAIELZWQLC-UHFFFAOYSA-N -1 0 338.407 3.639 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)CCCc1ccccc1 ZINC000833176195 601092144 /nfs/dbraw/zinc/09/21/44/601092144.db2.gz BQNVMISPMSFMSD-MOPGFXCFSA-N -1 0 343.467 3.891 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NCCc2cccc(F)c2)cc1 ZINC000393042044 601093030 /nfs/dbraw/zinc/09/30/30/601093030.db2.gz CSAHPNTYRQKKKQ-UHFFFAOYSA-N -1 0 344.386 3.552 20 0 EHADRM C[C@H](C(=O)N1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-])c1ccsc1 ZINC000825978013 601093335 /nfs/dbraw/zinc/09/33/35/601093335.db2.gz VKTDDXTXEYGQRX-VBNZEHGJSA-N -1 0 335.469 3.734 20 0 EHADRM CC(C)SCC(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000827072509 601099818 /nfs/dbraw/zinc/09/98/18/601099818.db2.gz CKJAAEVEXRGLAY-LBPRGKRZSA-N -1 0 337.224 3.804 20 0 EHADRM Cc1ccc(NC(=O)C[C@H](C)C(=O)c2ccccc2)cc1C(=O)[O-] ZINC000832942486 601110204 /nfs/dbraw/zinc/11/02/04/601110204.db2.gz COJIRAQJHAJNMP-ZDUSSCGKSA-N -1 0 325.364 3.541 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)NCC1CCC(C(F)(F)F)CC1 ZINC000833288539 601111196 /nfs/dbraw/zinc/11/11/96/601111196.db2.gz VWKIHHHLZQFHPC-UHFFFAOYSA-N -1 0 344.333 3.875 20 0 EHADRM CCCCc1ccc(CC(=O)N(CC)c2ncc(C(=O)[O-])s2)cc1 ZINC000737001365 601111613 /nfs/dbraw/zinc/11/16/13/601111613.db2.gz TYSDVOBSGMLDQQ-UHFFFAOYSA-N -1 0 346.452 3.780 20 0 EHADRM Cc1ccc2oc(C(=O)O[C@@H](C(=O)[O-])c3ccccc3F)cc2c1 ZINC000832960177 601115949 /nfs/dbraw/zinc/11/59/49/601115949.db2.gz NTIKGGBEPIWKPB-MRXNPFEDSA-N -1 0 328.295 3.863 20 0 EHADRM C[C@H](OC(=O)c1ccccc1N(C)C(=O)[O-])c1cc(F)ccc1F ZINC000827866405 601116641 /nfs/dbraw/zinc/11/66/41/601116641.db2.gz CMLVJSBUPASCJP-JTQLQIEISA-N -1 0 335.306 3.997 20 0 EHADRM CCN(C(=O)C[C@@H]1CCCc2ccccc21)c1ncc(C(=O)[O-])s1 ZINC000737052573 601125189 /nfs/dbraw/zinc/12/51/89/601125189.db2.gz LNALYJHMIRHQOW-ZDUSSCGKSA-N -1 0 344.436 3.704 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc2c(c1)CCCC2 ZINC000326313974 601125951 /nfs/dbraw/zinc/12/59/51/601125951.db2.gz MIAYGNWMVHKSDJ-DOPJRALCSA-N -1 0 329.440 3.634 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC000246037431 601126038 /nfs/dbraw/zinc/12/60/38/601126038.db2.gz WRMJHLDLNQVMCF-WCFLWFBJSA-N -1 0 343.345 3.774 20 0 EHADRM Cc1c(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cnc2ccccc12 ZINC000832850243 601139270 /nfs/dbraw/zinc/13/92/70/601139270.db2.gz LDRKXFVGBORVFU-CQSZACIVSA-N -1 0 346.386 3.762 20 0 EHADRM CO[C@H](C)c1nc(C)c(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)s1 ZINC000831501040 601142188 /nfs/dbraw/zinc/14/21/88/601142188.db2.gz NBWPWWPBTXYMKC-WDEREUQCSA-N -1 0 349.408 3.775 20 0 EHADRM CCCN(CCc1ccccn1)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000829496475 601142916 /nfs/dbraw/zinc/14/29/16/601142916.db2.gz CKOVWYHYKOONJX-UHFFFAOYSA-N -1 0 341.411 3.575 20 0 EHADRM CCCCCn1nc(C)cc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000829373225 601148296 /nfs/dbraw/zinc/14/82/96/601148296.db2.gz MIHFTYVAVNCVQS-UHFFFAOYSA-N -1 0 343.427 3.651 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)Nc1sccc1C(=O)[O-] ZINC000832992445 601151452 /nfs/dbraw/zinc/15/14/52/601151452.db2.gz KKPIXJRHJKTPLM-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)OCc2cccc(OC(F)(F)F)c2)C1 ZINC000833189284 601160650 /nfs/dbraw/zinc/16/06/50/601160650.db2.gz RBYZYCJTFGCWKF-VXGBXAGGSA-N -1 0 346.301 3.519 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cnc(C(C)(C)C)s1)c1ccccc1 ZINC000237530635 601165435 /nfs/dbraw/zinc/16/54/35/601165435.db2.gz RPRRFXLGCPDLNP-SMDDNHRTSA-N -1 0 346.452 3.632 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cc2cccc(F)c2o1)c1ccccc1 ZINC000675998711 601165687 /nfs/dbraw/zinc/16/56/87/601165687.db2.gz IQXXGIKFDQKUOE-BDJLRTHQSA-N -1 0 341.338 3.764 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000119907757 601168995 /nfs/dbraw/zinc/16/89/95/601168995.db2.gz AJEFGOSXBJIJSU-LBTNJELSSA-N -1 0 343.398 3.583 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)C[C@H]1CCc2ccccc21)c1ccccc1 ZINC000675997866 601169206 /nfs/dbraw/zinc/16/92/06/601169206.db2.gz CEEAUXRSLZTQIA-NQYLQCIDSA-N -1 0 337.419 3.685 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)C[C@@H]1CCc2ccccc21)c1ccccc1 ZINC000675997869 601169320 /nfs/dbraw/zinc/16/93/20/601169320.db2.gz CEEAUXRSLZTQIA-VHFSOBRXSA-N -1 0 337.419 3.685 20 0 EHADRM C[C@@H]1CSc2ccccc2N1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000828515757 601173899 /nfs/dbraw/zinc/17/38/99/601173899.db2.gz GBYCOVAJMHHYEV-LLVKDONJSA-N -1 0 328.393 3.918 20 0 EHADRM C[C@H](c1ccccc1)[C@H](C)NC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000827665470 601176300 /nfs/dbraw/zinc/17/63/00/601176300.db2.gz RXTFDZACDYJSLT-RYUDHWBXSA-N -1 0 330.359 3.838 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)OCc2cc3ccccc3nc2Cl)C1 ZINC000833190761 601185408 /nfs/dbraw/zinc/18/54/08/601185408.db2.gz YTACPKGDDXLHAF-OLZOCXBDSA-N -1 0 347.798 3.822 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cccc(-c3cscn3)c2)CCCCC1 ZINC000663119330 601186790 /nfs/dbraw/zinc/18/67/90/601186790.db2.gz IGRFTYSMFZWTNR-UHFFFAOYSA-N -1 0 344.436 3.718 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000531743880 601186880 /nfs/dbraw/zinc/18/68/80/601186880.db2.gz FRVLCNFFJPPJAI-CQSZACIVSA-N -1 0 335.419 3.688 20 0 EHADRM CCS[C@@H]1CCC[C@@H](NC(=O)Nc2cccc(C(=O)[O-])c2C)C1 ZINC000830157085 601190856 /nfs/dbraw/zinc/19/08/56/601190856.db2.gz FCCOAXXSGVXXPJ-CHWSQXEVSA-N -1 0 336.457 3.879 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2cccs2)CC(F)(F)F)cc1 ZINC000833310004 601194132 /nfs/dbraw/zinc/19/41/32/601194132.db2.gz LCHDAQMWSSQBRJ-UHFFFAOYSA-N -1 0 343.326 3.651 20 0 EHADRM Cc1cccc(CN(Cc2cc(C(=O)[O-])co2)Cc2ccccn2)c1 ZINC000832967478 601228208 /nfs/dbraw/zinc/22/82/08/601228208.db2.gz GJFYCNWYOFMQCH-UHFFFAOYSA-N -1 0 336.391 3.884 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)O[C@H](c2ccccc2)c2ccncc2)C1 ZINC000833188998 601237931 /nfs/dbraw/zinc/23/79/31/601237931.db2.gz POHAZJSSRHAHLK-FGTMMUONSA-N -1 0 339.391 3.605 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)c3ccnc(C(=O)[O-])c3)ccc21 ZINC000362500752 601245201 /nfs/dbraw/zinc/24/52/01/601245201.db2.gz SMFSYSNBMUPNDQ-UHFFFAOYSA-N -1 0 337.379 3.643 20 0 EHADRM CCC1CCC(NC(=O)c2ccc(Cl)nc2Cl)(C(=O)[O-])CC1 ZINC000389467883 601275439 /nfs/dbraw/zinc/27/54/39/601275439.db2.gz MFDFQXOMMJZCEL-UHFFFAOYSA-N -1 0 345.226 3.542 20 0 EHADRM CCC1CCC(NC(=O)Cc2c[nH]c3c2cccc3C)(C(=O)[O-])CC1 ZINC000345991745 601276894 /nfs/dbraw/zinc/27/68/94/601276894.db2.gz HZIOHFUQQHELMP-UHFFFAOYSA-N -1 0 342.439 3.559 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)C/C=C/c1cccc(F)c1 ZINC000831912698 601277599 /nfs/dbraw/zinc/27/75/99/601277599.db2.gz CUBOOXYAAVOWKV-HWKANZROSA-N -1 0 330.311 3.541 20 0 EHADRM Cc1ccc([C@H](CNC(=O)C/C=C\c2ccc(F)cc2)C(=O)[O-])cc1 ZINC000486405172 601283752 /nfs/dbraw/zinc/28/37/52/601283752.db2.gz NJBBTQJDMKPKBO-KVLZDYKBSA-N -1 0 341.382 3.522 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc3[nH]ccc32)c(OC(F)F)c1 ZINC000833318973 601284926 /nfs/dbraw/zinc/28/49/26/601284926.db2.gz ADMCOVVTDAPQCZ-UHFFFAOYSA-N -1 0 346.289 3.720 20 0 EHADRM CCN(C(=O)C/C=C\c1cccc(F)c1)c1ccccc1C(=O)[O-] ZINC000829590705 601285515 /nfs/dbraw/zinc/28/55/15/601285515.db2.gz BWTFWSQXFPOWEU-VURMDHGXSA-N -1 0 327.355 3.980 20 0 EHADRM Cc1ccccc1[C@H](CC(C)C)NC(=O)c1ccnc(C(=O)[O-])c1 ZINC000832976977 601286828 /nfs/dbraw/zinc/28/68/28/601286828.db2.gz LBWSIDNGKVNKMB-INIZCTEOSA-N -1 0 326.396 3.605 20 0 EHADRM CC(C)=C(C)C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000826642451 601287401 /nfs/dbraw/zinc/28/74/01/601287401.db2.gz ZLCJBACDHROWNT-KRWDZBQOSA-N -1 0 325.408 3.556 20 0 EHADRM C[C@@H](c1ccccc1)[C@](C)(O)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000827942192 601288103 /nfs/dbraw/zinc/28/81/03/601288103.db2.gz QUTDWKDIQYJXOE-VOJFVSQTSA-N -1 0 347.798 3.531 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ccc(C(=O)[O-])nc1 ZINC000237393651 601292345 /nfs/dbraw/zinc/29/23/45/601292345.db2.gz XRRGLYGXHQYZBH-NEPJUHHUSA-N -1 0 346.814 3.697 20 0 EHADRM CSc1ccc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1Cl ZINC000180120585 601293015 /nfs/dbraw/zinc/29/30/15/601293015.db2.gz BRRWWMHGPWVPOF-UWVGGRQHSA-N -1 0 327.833 3.891 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)CCc1ccc(Cl)cc1)c1ccccc1 ZINC000237657623 601296564 /nfs/dbraw/zinc/29/65/64/601296564.db2.gz BQDMWKCAJCXINV-FZKQIMNGSA-N -1 0 345.826 3.851 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)[C@H]1CCCc2ccccc21)c1ccccc1 ZINC000262529432 601297135 /nfs/dbraw/zinc/29/71/35/601297135.db2.gz OMGYYBGWXQIATM-ZOCIIQOWSA-N -1 0 337.419 3.685 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)CNc1ccc(C)c(C(=O)[O-])c1 ZINC000832935847 601302670 /nfs/dbraw/zinc/30/26/70/601302670.db2.gz ZQBVLTJPCRAFMM-UHFFFAOYSA-N -1 0 332.787 3.706 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cc(SC)ccc1Cl ZINC000262219682 601304594 /nfs/dbraw/zinc/30/45/94/601304594.db2.gz SZJLHZVXWUTMMD-UHFFFAOYSA-N -1 0 329.849 3.825 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Cc1ccc(Cl)cc1Cl ZINC000262056750 601305769 /nfs/dbraw/zinc/30/57/69/601305769.db2.gz GJEFZPAQXJRIJM-UHFFFAOYSA-N -1 0 332.227 3.686 20 0 EHADRM Cc1cccc(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)c1C ZINC000832971373 601308860 /nfs/dbraw/zinc/30/88/60/601308860.db2.gz XOBKZAHXFIGMIC-INIZCTEOSA-N -1 0 330.359 3.780 20 0 EHADRM CCc1ccccc1NC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000830282080 601309485 /nfs/dbraw/zinc/30/94/85/601309485.db2.gz LNOKAQUMQIPOOP-INIZCTEOSA-N -1 0 330.359 3.726 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2ccc(C(=O)[O-])nc2)C(C)(C)C)c1 ZINC000832965493 601331316 /nfs/dbraw/zinc/33/13/16/601331316.db2.gz VOGWWIAGIHXJJX-MRXNPFEDSA-N -1 0 326.396 3.605 20 0 EHADRM CCC1(C(=O)Nc2nc(-c3ccccc3)c(CC(=O)[O-])s2)CC1 ZINC000829039458 601331922 /nfs/dbraw/zinc/33/19/22/601331922.db2.gz UVHDTPJGUOJIFP-UHFFFAOYSA-N -1 0 330.409 3.566 20 0 EHADRM Cc1cccc([C@@H](NC(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C)(C)C)c1 ZINC000263226801 601337422 /nfs/dbraw/zinc/33/74/22/601337422.db2.gz LYLAUKOEQSPZQX-HZPDHXFCSA-N -1 0 332.444 3.588 20 0 EHADRM Cn1c2ccccc2nc1[C@@H]1CCCN1Cc1cccc(C(=O)[O-])c1 ZINC000263446248 601338199 /nfs/dbraw/zinc/33/81/99/601338199.db2.gz GAIVAOXIAXYTPE-SFHVURJKSA-N -1 0 335.407 3.609 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@@H]1C[C@@H]1C1CC1)c1ccc(Cl)cc1Cl ZINC000833169558 601357744 /nfs/dbraw/zinc/35/77/44/601357744.db2.gz JVHNIGVONSZBSE-NQBHXWOUSA-N -1 0 329.179 3.708 20 0 EHADRM Cn1c(-c2nc(COc3cccc(C(=O)[O-])c3)no2)cc2ccccc21 ZINC000833037955 601366359 /nfs/dbraw/zinc/36/63/59/601366359.db2.gz XUAFMNCMAOBRLJ-UHFFFAOYSA-N -1 0 349.346 3.506 20 0 EHADRM O=C([O-])Nc1ccccc1OCC(=O)Nc1ccc(F)cc1Cl ZINC000833287386 601369178 /nfs/dbraw/zinc/36/91/78/601369178.db2.gz GPQBTZWZMZDMAN-UHFFFAOYSA-N -1 0 338.722 3.587 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)c2cccc(NC(=O)[O-])c2)c2ccccc2N1 ZINC000826741880 601383856 /nfs/dbraw/zinc/38/38/56/601383856.db2.gz RYNKXBRGWWPIAY-INIZCTEOSA-N -1 0 339.395 3.873 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000237174660 601392575 /nfs/dbraw/zinc/39/25/75/601392575.db2.gz VLHIAZVXPTUNFP-WFASDCNBSA-N -1 0 347.436 3.583 20 0 EHADRM C/C(=C/COC(=O)c1oc2ccccc2c1COC(C)C)C(=O)[O-] ZINC000825786324 601410332 /nfs/dbraw/zinc/41/03/32/601410332.db2.gz ILLMANJALCYPCZ-WQLSENKSSA-N -1 0 332.352 3.546 20 0 EHADRM C/C(=C/COC(=O)CCc1ncc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC000825765111 601414383 /nfs/dbraw/zinc/41/43/83/601414383.db2.gz MHMKUPQDOUIGJY-FLIBITNWSA-N -1 0 349.770 3.502 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN[C@H](c1ccccc1)C(F)(F)F ZINC000830374329 601414938 /nfs/dbraw/zinc/41/49/38/601414938.db2.gz BQTPSSIFYCABTM-CQSZACIVSA-N -1 0 327.302 3.933 20 0 EHADRM C/C(=C\COC(=O)CCOc1ccccc1-c1ccccc1)C(=O)[O-] ZINC000825758477 601415061 /nfs/dbraw/zinc/41/50/61/601415061.db2.gz KCLBHXGOHKRATD-RVDMUPIBSA-N -1 0 340.375 3.697 20 0 EHADRM C[C@H](c1cc2ccccc2o1)N(C)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000827928510 601423364 /nfs/dbraw/zinc/42/33/64/601423364.db2.gz HZFDDBYICFIGPV-CYBMUJFWSA-N -1 0 344.411 3.780 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-] ZINC000237551959 601429607 /nfs/dbraw/zinc/42/96/07/601429607.db2.gz XUYPBEVQPJCWKP-MELADBBJSA-N -1 0 333.453 3.514 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)CCC1 ZINC000262510243 601438053 /nfs/dbraw/zinc/43/80/53/601438053.db2.gz KAXWPGPIHIFCFW-RYUDHWBXSA-N -1 0 342.222 3.611 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Nc2ccc(F)cc2C(=O)[O-])cc1 ZINC000832221115 601447356 /nfs/dbraw/zinc/44/73/56/601447356.db2.gz VAFBJMYWGLAHHV-LLVKDONJSA-N -1 0 331.343 3.665 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2c(F)c(F)cc(F)c2F)c1 ZINC000833297018 601452419 /nfs/dbraw/zinc/45/24/19/601452419.db2.gz BZIZRRLZZUHLPQ-UHFFFAOYSA-N -1 0 347.651 3.847 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CCCOc1cccc2ccccc21 ZINC000236990130 601458145 /nfs/dbraw/zinc/45/81/45/601458145.db2.gz OWZQRXREZVZWQB-FQEVSTJZSA-N -1 0 343.423 3.758 20 0 EHADRM C[C@H](OC(=O)C1(c2cccc(F)c2)CCC1)c1ccc(C(=O)[O-])o1 ZINC000827819289 601459135 /nfs/dbraw/zinc/45/91/35/601459135.db2.gz ZLXZUBQMFDUKGJ-NSHDSACASA-N -1 0 332.327 3.843 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H](C)Sc1ccccc1Cl ZINC000237109614 601465052 /nfs/dbraw/zinc/46/50/52/601465052.db2.gz JUJSBUNMNFVROK-MEBBXXQBSA-N -1 0 329.849 3.580 20 0 EHADRM COc1ccccc1CC(C)(C)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000832600909 601466255 /nfs/dbraw/zinc/46/62/55/601466255.db2.gz BMENIFFWTVUCRG-LBPRGKRZSA-N -1 0 346.379 3.860 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC000829014158 601468870 /nfs/dbraw/zinc/46/88/70/601468870.db2.gz DNMSQKNUGWUXHF-IAGOWNOFSA-N -1 0 328.364 3.522 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1oc2ccccc2c1CSC ZINC000767054439 601470328 /nfs/dbraw/zinc/47/03/28/601470328.db2.gz BLMFNXDQCARASP-QGZVFWFLSA-N -1 0 335.425 3.669 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)OCc2cccc(C(=O)[O-])c2)cc1 ZINC000832221239 601474322 /nfs/dbraw/zinc/47/43/22/601474322.db2.gz WSARKAOQEHLWCV-ZDUSSCGKSA-N -1 0 328.364 3.630 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC000656602619 601486418 /nfs/dbraw/zinc/48/64/18/601486418.db2.gz SWKMKOLAXUIRMQ-ZDUSSCGKSA-N -1 0 334.416 3.503 20 0 EHADRM CCCCC[C@H](NC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000829327142 601497533 /nfs/dbraw/zinc/49/75/33/601497533.db2.gz VWYWHZGMRXUYOQ-OIISXLGYSA-N -1 0 332.444 3.670 20 0 EHADRM Cc1ccc(/C=C\CC(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])cc1 ZINC000678978836 601503264 /nfs/dbraw/zinc/50/32/64/601503264.db2.gz HYXXEDUNNWDPEH-BBIZLLLXSA-N -1 0 335.403 3.609 20 0 EHADRM Cc1ccc(/C=C\CC(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)cc1 ZINC000832927465 601506564 /nfs/dbraw/zinc/50/65/64/601506564.db2.gz BYUPZJJUCPIDBD-IHWYPQMZSA-N -1 0 342.420 3.749 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N(CC(F)F)c2cccc(Cl)c2)C1 ZINC000833181805 601506604 /nfs/dbraw/zinc/50/66/04/601506604.db2.gz LGYYUAMTLYOKQW-GHMZBOCLSA-N -1 0 345.773 3.829 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1Cc1csc(-c2ccoc2)n1 ZINC000833196071 601543088 /nfs/dbraw/zinc/54/30/88/601543088.db2.gz WBDGFSXGUSXXCA-MRXNPFEDSA-N -1 0 340.404 3.587 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1Cc1cc(-c2cccs2)on1 ZINC000324389048 601546958 /nfs/dbraw/zinc/54/69/58/601546958.db2.gz NAOJCFHCBUNNNJ-QGZVFWFLSA-N -1 0 340.404 3.587 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CSCc2ccc(F)cc2F)cc1 ZINC000833116165 601558124 /nfs/dbraw/zinc/55/81/24/601558124.db2.gz VHBHNLKHLDSDAJ-UHFFFAOYSA-N -1 0 337.347 3.535 20 0 EHADRM CCn1c2ccccc2nc1[C@@H]1CCCN1Cc1cc(C(=O)[O-])co1 ZINC000576881242 601567998 /nfs/dbraw/zinc/56/79/98/601567998.db2.gz KGAKSIQHSRVBSY-KRWDZBQOSA-N -1 0 339.395 3.685 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)/C=C\SCc1ccco1)c1ccccc1 ZINC000492330030 601572046 /nfs/dbraw/zinc/57/20/46/601572046.db2.gz MCWWQWCVJWRCHO-DMIOIOJGSA-N -1 0 345.420 3.749 20 0 EHADRM CSc1ccc(C)c(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000345897179 601581277 /nfs/dbraw/zinc/58/12/77/601581277.db2.gz XQLAWLZQZQHZCM-HNNXBMFYSA-N -1 0 349.839 3.926 20 0 EHADRM C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccccc1F ZINC000345768257 601583423 /nfs/dbraw/zinc/58/34/23/601583423.db2.gz CQKLHNZMFDJYOA-MEBBXXQBSA-N -1 0 335.762 3.525 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CCCc1cccs1)c1ccc(Cl)cc1 ZINC000263135469 601584418 /nfs/dbraw/zinc/58/44/18/601584418.db2.gz HURQXUSMNCFMSJ-HNNXBMFYSA-N -1 0 337.828 3.666 20 0 EHADRM C/C(=C\C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccccc1 ZINC000776650957 601585308 /nfs/dbraw/zinc/58/53/08/601585308.db2.gz PQCRWNHZEKVYKE-FLVLSHQESA-N -1 0 329.783 3.685 20 0 EHADRM O=C([O-])C1CCN(C(=O)N[C@H](c2ccccc2F)C2CCCC2)CC1 ZINC000263283711 601585338 /nfs/dbraw/zinc/58/53/38/601585338.db2.gz UFHAVJUUWFMPBM-KRWDZBQOSA-N -1 0 348.418 3.563 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@H]1CCCc2ccccc21)c1ccc(Cl)cc1 ZINC000345869858 601585498 /nfs/dbraw/zinc/58/54/98/601585498.db2.gz UPGOKZAWMPUOEQ-DLBZAZTESA-N -1 0 343.810 3.702 20 0 EHADRM CCCCS[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000263171955 601586557 /nfs/dbraw/zinc/58/65/57/601586557.db2.gz RUBHMIKJFWAAJN-GXFFZTMASA-N -1 0 329.849 3.504 20 0 EHADRM O=C([O-])C1(CNC(=O)c2sc3ccccc3c2Cl)CCCC1 ZINC000317014790 601600070 /nfs/dbraw/zinc/60/00/70/601600070.db2.gz QBMFWHDRVWEQQZ-UHFFFAOYSA-N -1 0 337.828 3.930 20 0 EHADRM O=C([O-])C1(CNC(=O)[C@H]2C[C@H]2c2cccc3ccccc32)CCCC1 ZINC000678983476 601603057 /nfs/dbraw/zinc/60/30/57/601603057.db2.gz SDAHANMQDFUQST-ROUUACIJSA-N -1 0 337.419 3.705 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N[C@@H](c3ccccc3)[C@H](C)C(=O)[O-])cc2c1 ZINC000531742962 601608487 /nfs/dbraw/zinc/60/84/87/601608487.db2.gz WZQMYOUSXIKMQS-SCLBCKFNSA-N -1 0 336.391 3.668 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000261856259 601614293 /nfs/dbraw/zinc/61/42/93/601614293.db2.gz KAYULZSNGKKOSP-NWDGAFQWSA-N -1 0 329.318 3.621 20 0 EHADRM CCOc1ccc(NC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000830085603 601614381 /nfs/dbraw/zinc/61/43/81/601614381.db2.gz ZCOZWCYVEPODEO-DYVFJYSZSA-N -1 0 342.395 3.669 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccccc2CC(=O)[O-])o1 ZINC000324484369 601614807 /nfs/dbraw/zinc/61/48/07/601614807.db2.gz HPUZJQBBYNSRIA-DOMZBBRYSA-N -1 0 327.380 3.601 20 0 EHADRM CCCN(CC)c1ccc(C(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000236967084 601616766 /nfs/dbraw/zinc/61/67/66/601616766.db2.gz RMRVHQIXMRYVBX-UHFFFAOYSA-N -1 0 340.423 3.802 20 0 EHADRM O=C([O-])c1ccc(CN2CCCC[C@@H]2c2noc(C3CC3)n2)cc1F ZINC000833313045 601620718 /nfs/dbraw/zinc/62/07/18/601620718.db2.gz MHUOLWYAQHGOTL-OAHLLOKOSA-N -1 0 345.374 3.512 20 0 EHADRM O=C([O-])c1ccc(CN2CCCC[C@H]2c2noc(C3CC3)n2)cc1F ZINC000833313044 601620721 /nfs/dbraw/zinc/62/07/21/601620721.db2.gz MHUOLWYAQHGOTL-HNNXBMFYSA-N -1 0 345.374 3.512 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(OC2CCCC2)c(Cl)c1)C(=O)[O-] ZINC000653536626 601620731 /nfs/dbraw/zinc/62/07/31/601620731.db2.gz CDVLMWNVXRCXGH-SNVBAGLBSA-N -1 0 340.807 3.504 20 0 EHADRM C[C@@H](CC(=O)N1CCCC[C@@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000136531901 601627660 /nfs/dbraw/zinc/62/76/60/601627660.db2.gz PYPPIVAHMUQLRA-SMDDNHRTSA-N -1 0 343.345 3.665 20 0 EHADRM NC(=NOCc1ccc(C(=O)[O-])c(F)c1)C12CC3CC(CC(C3)C1)C2 ZINC000833078208 601630932 /nfs/dbraw/zinc/63/09/32/601630932.db2.gz KMPLJTFWJQZVNJ-UHFFFAOYSA-N -1 0 346.402 3.739 20 0 EHADRM O=C([O-])CN(C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1)C1CC1 ZINC000766934842 601636092 /nfs/dbraw/zinc/63/60/92/601636092.db2.gz JOEFDROYYGJEOK-NTMALXAHSA-N -1 0 345.395 3.643 20 0 EHADRM CCCCC[C@H](NC(=O)c1sccc1SC(F)F)C(=O)[O-] ZINC000829340019 601648530 /nfs/dbraw/zinc/64/85/30/601648530.db2.gz OALZLKFMYUSVSY-QMMMGPOBSA-N -1 0 337.413 3.826 20 0 EHADRM O=C([O-])[C@@]1(F)CCN(C(=O)c2cc(-c3ccccc3)ccc2Cl)C1 ZINC000776646503 601658616 /nfs/dbraw/zinc/65/86/16/601658616.db2.gz YSBJNOZLLLCGFG-GOSISDBHSA-N -1 0 347.773 3.646 20 0 EHADRM O=C([O-])CCCCNC(=O)CCCc1cc(Cl)sc1Cl ZINC000238171536 601671860 /nfs/dbraw/zinc/67/18/60/601671860.db2.gz NWUKGFPQNVNRMB-UHFFFAOYSA-N -1 0 338.256 3.749 20 0 EHADRM CCCCCOc1cc(C)ccc1CNc1ccc(C(=O)[O-])nn1 ZINC000829364150 601680065 /nfs/dbraw/zinc/68/00/65/601680065.db2.gz UKSICDCKJFXJEU-UHFFFAOYSA-N -1 0 329.400 3.664 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccc2ccc(Cl)cc2n1)c1ccccc1 ZINC000833349407 601683200 /nfs/dbraw/zinc/68/32/00/601683200.db2.gz CYZRJJMFRZRZDE-MRXNPFEDSA-N -1 0 341.750 3.871 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)C[C@H]1C(=O)[O-] ZINC000262772094 601713172 /nfs/dbraw/zinc/71/31/72/601713172.db2.gz AJWXAGWWAFWEQX-ZWNOBZJWSA-N -1 0 349.839 3.861 20 0 EHADRM Cc1cc2ccccc2n1CC(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000832906436 601720143 /nfs/dbraw/zinc/72/01/43/601720143.db2.gz FNAWATDQKIYRLY-UHFFFAOYSA-N -1 0 341.338 3.530 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000827907947 601723234 /nfs/dbraw/zinc/72/32/34/601723234.db2.gz CYFUJAVZCFSOKD-LBPRGKRZSA-N -1 0 348.395 3.889 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cccc2[nH]ccc21)c1cccc(Cl)c1 ZINC000833351998 601723248 /nfs/dbraw/zinc/72/32/48/601723248.db2.gz WTRKUIODTZPXQL-OAHLLOKOSA-N -1 0 329.739 3.804 20 0 EHADRM CC(C)c1nc2cc(NC(=O)NCC3(C(=O)[O-])CCCC3)ccc2o1 ZINC000827152646 601724081 /nfs/dbraw/zinc/72/40/81/601724081.db2.gz JHOBRISGZCOLND-UHFFFAOYSA-N -1 0 345.399 3.718 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000827587058 601725814 /nfs/dbraw/zinc/72/58/14/601725814.db2.gz ZMIUKQMVGBTLPL-LLVKDONJSA-N -1 0 334.318 3.585 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)Cc1ccccc1OC(C)C ZINC000833032312 601726123 /nfs/dbraw/zinc/72/61/23/601726123.db2.gz ZEAJVFNWIGAILV-UHFFFAOYSA-N -1 0 348.420 3.828 20 0 EHADRM Cc1ccccc1C(C)(C)C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000832976979 601726184 /nfs/dbraw/zinc/72/61/84/601726184.db2.gz LIYFAFRAVICRQB-UHFFFAOYSA-N -1 0 330.355 3.853 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000738629700 601729043 /nfs/dbraw/zinc/72/90/43/601729043.db2.gz QJPDEXUHGXTLFU-UHFFFAOYSA-N -1 0 328.755 3.701 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1scnc1C(C)(C)C ZINC000833031943 601733356 /nfs/dbraw/zinc/73/33/56/601733356.db2.gz WZZXLKUVTUWKJO-UHFFFAOYSA-N -1 0 339.438 3.866 20 0 EHADRM Cc1nc(Cl)sc1C(=O)OCc1cc(C(=O)[O-])sc1C ZINC000833000495 601734134 /nfs/dbraw/zinc/73/41/34/601734134.db2.gz IWQFQDANNJRDNI-UHFFFAOYSA-N -1 0 331.802 3.530 20 0 EHADRM Cc1cccc2cc(C(=O)Nc3nc(CCCC(=O)[O-])cs3)oc21 ZINC000832974418 601743251 /nfs/dbraw/zinc/74/32/51/601743251.db2.gz KTSPHSZUHKGRJW-UHFFFAOYSA-N -1 0 344.392 3.857 20 0 EHADRM CC[C@@H](C(=O)Nc1nc(CCCC(=O)[O-])cs1)c1ccccc1 ZINC000321775046 601744352 /nfs/dbraw/zinc/74/43/52/601744352.db2.gz QEWKQXFVPACJHO-CQSZACIVSA-N -1 0 332.425 3.683 20 0 EHADRM O=C([O-])CCCc1csc(NC(=O)c2sccc2C2CC2)n1 ZINC000833229917 601746989 /nfs/dbraw/zinc/74/69/89/601746989.db2.gz RXDDKQDPSWZFGX-UHFFFAOYSA-N -1 0 336.438 3.742 20 0 EHADRM CC[C@H](NC(=O)c1ccccc1SCc1cccs1)C(=O)[O-] ZINC000237053865 601754579 /nfs/dbraw/zinc/75/45/79/601754579.db2.gz XXTRBMRTUMHOKJ-ZDUSSCGKSA-N -1 0 335.450 3.633 20 0 EHADRM C[C@H]1CN(C(=S)Nc2ccccc2-c2ccccc2)C[C@H]1C(=O)[O-] ZINC000828414268 601765239 /nfs/dbraw/zinc/76/52/39/601765239.db2.gz YMSINBTWONHEDD-XJKSGUPXSA-N -1 0 340.448 3.703 20 0 EHADRM Cc1nc(CSCC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)sc1C ZINC000833000241 601765974 /nfs/dbraw/zinc/76/59/74/601765974.db2.gz FIKARMGMTMXINI-UHFFFAOYSA-N -1 0 338.454 3.519 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)N1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000830250161 601772966 /nfs/dbraw/zinc/77/29/66/601772966.db2.gz UUIHEOSGFXODKW-GXFFZTMASA-N -1 0 338.835 3.649 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccccc2-c2cccs2)C[C@@H]1C(=O)[O-] ZINC000828376827 601774753 /nfs/dbraw/zinc/77/47/53/601774753.db2.gz FQTPJTCFSSMLDA-AAEUAGOBSA-N -1 0 330.409 3.600 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)c1O ZINC000833160050 601779517 /nfs/dbraw/zinc/77/95/17/601779517.db2.gz LRJBBYPYPBRIBE-UHFFFAOYSA-N -1 0 343.232 3.501 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CCCC[C@H]2c2ncc[nH]2)ccc1Cl ZINC000833300061 601780063 /nfs/dbraw/zinc/78/00/63/601780063.db2.gz IQURCACYVMOWMZ-ZDUSSCGKSA-N -1 0 348.790 3.520 20 0 EHADRM Cc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2c[nH]c(C(=O)[O-])c2)c1 ZINC000832971482 601790482 /nfs/dbraw/zinc/79/04/82/601790482.db2.gz OYZNBESOFJGDIZ-SFHVURJKSA-N -1 0 347.374 3.792 20 0 EHADRM Cc1cc(CCCC(=O)Nc2ccc(CC(=O)[O-])cc2)c(C)s1 ZINC000262279090 601800883 /nfs/dbraw/zinc/80/08/83/601800883.db2.gz KLGZTWZPDJHPII-UHFFFAOYSA-N -1 0 331.437 3.953 20 0 EHADRM Cc1cc(CCCC(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c(C)s1 ZINC000237725998 601801407 /nfs/dbraw/zinc/80/14/07/601801407.db2.gz BKBSXXSGKDGZJL-IKGGRYGDSA-N -1 0 349.496 3.932 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)Nc2ccc(OC)cc2C(=O)[O-])c1 ZINC000519556799 601802255 /nfs/dbraw/zinc/80/22/55/601802255.db2.gz LYYXPNRYYQFXTE-LBPRGKRZSA-N -1 0 343.379 3.534 20 0 EHADRM COc1cccc([C@H](C)CC(=O)Nc2ccc(CNC(=O)[O-])cc2)c1 ZINC000832527886 601803896 /nfs/dbraw/zinc/80/38/96/601803896.db2.gz FYMFGUZLRAVBJT-CYBMUJFWSA-N -1 0 342.395 3.595 20 0 EHADRM CN(C(=O)c1cc2cccc(Cl)c2o1)[C@H](C(=O)[O-])c1ccccc1 ZINC000830523687 601803953 /nfs/dbraw/zinc/80/39/53/601803953.db2.gz OXNHNJFCIHZVKP-HNNXBMFYSA-N -1 0 343.766 3.984 20 0 EHADRM O=C([O-])c1sccc1CSc1nnc(-c2ccccc2F)o1 ZINC000833348034 601807021 /nfs/dbraw/zinc/80/70/21/601807021.db2.gz LSRVFHFAAZJKRZ-UHFFFAOYSA-N -1 0 336.369 3.928 20 0 EHADRM O=C([O-])c1c(C2CC2)csc1NC(=O)[C@H]1CCc2ccccc21 ZINC000738668515 601808772 /nfs/dbraw/zinc/80/87/72/601808772.db2.gz BIBKJSRMUHYISU-ZDUSSCGKSA-N -1 0 327.405 3.992 20 0 EHADRM O=C([O-])c1c(C2CC2)csc1NC(=O)[C@@H]1CCOc2ccccc21 ZINC000738669394 601809838 /nfs/dbraw/zinc/80/98/38/601809838.db2.gz OAKGLRGNLDUQNG-GFCCVEGCSA-N -1 0 343.404 3.829 20 0 EHADRM Cc1cc(CCCC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)c(C)s1 ZINC000262143005 601812557 /nfs/dbraw/zinc/81/25/57/601812557.db2.gz LBHITLLTUDLNIV-QGZVFWFLSA-N -1 0 345.464 3.672 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2cc3c(cccc3F)s2)CC1 ZINC000321411209 601814979 /nfs/dbraw/zinc/81/49/79/601814979.db2.gz JHWNBVQNGKEEMP-UHFFFAOYSA-N -1 0 335.400 3.757 20 0 EHADRM Cn1c2ccccc2c(Cl)c1C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000539686642 601815965 /nfs/dbraw/zinc/81/59/65/601815965.db2.gz CQUKCIUODTYUCW-UHFFFAOYSA-N -1 0 348.830 3.549 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000659774792 601816730 /nfs/dbraw/zinc/81/67/30/601816730.db2.gz PGMRZGYATNPXCE-CQSZACIVSA-N -1 0 333.428 3.581 20 0 EHADRM O=C([O-])CCC1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000324420418 601830602 /nfs/dbraw/zinc/83/06/02/601830602.db2.gz NCVZUPLAAIIIBL-UHFFFAOYSA-N -1 0 346.305 3.695 20 0 EHADRM Cc1cc(CCCC(=O)Oc2cccc(CC(=O)[O-])c2)c(C)s1 ZINC000832881403 601843250 /nfs/dbraw/zinc/84/32/50/601843250.db2.gz BSDPRWHEOYKDAK-UHFFFAOYSA-N -1 0 332.421 3.920 20 0 EHADRM Cc1nnc(SCc2ccc(C(=O)[O-])s2)n1-c1ccccc1C ZINC000832976281 601845317 /nfs/dbraw/zinc/84/53/17/601845317.db2.gz MKUFUZFWEFGUJA-UHFFFAOYSA-N -1 0 345.449 3.936 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)c1cncc(-c2ccc(Cl)cc2)c1)C(=O)[O-] ZINC000339346410 601846213 /nfs/dbraw/zinc/84/62/13/601846213.db2.gz LHYNWPUGNOXROR-MEDUHNTESA-N -1 0 346.814 3.631 20 0 EHADRM Cc1ccccc1CCCOC(=O)c1ccccc1N(C)C(=O)[O-] ZINC000832980603 601846212 /nfs/dbraw/zinc/84/62/12/601846212.db2.gz IIUWNNQSRDXYRU-UHFFFAOYSA-N -1 0 327.380 3.899 20 0 EHADRM C[C@H](SCc1ccc(C(=O)[O-])s1)C(=O)N1CCc2ccccc21 ZINC000827908510 601846804 /nfs/dbraw/zinc/84/68/04/601846804.db2.gz JQLKBRSOFZRSIP-NSHDSACASA-N -1 0 347.461 3.657 20 0 EHADRM CCc1ccccc1NC(=O)CSCc1ccc(C(=O)[O-])s1 ZINC000830282200 601847261 /nfs/dbraw/zinc/84/72/61/601847261.db2.gz MUPWZRSOAPCIKE-UHFFFAOYSA-N -1 0 335.450 3.881 20 0 EHADRM O=C([O-])C1(NC(=O)c2cncc(-c3ccc(Cl)cc3)c2)CCCC1 ZINC000532669467 601847539 /nfs/dbraw/zinc/84/75/39/601847539.db2.gz ILVOVGVNXMWUJG-UHFFFAOYSA-N -1 0 344.798 3.529 20 0 EHADRM CC(C)c1ccc2c(c1)CCCN2C(=O)C1CCC(NC(=O)[O-])CC1 ZINC000738875971 601864523 /nfs/dbraw/zinc/86/45/23/601864523.db2.gz JIHYCDYDUOGGIA-UHFFFAOYSA-N -1 0 344.455 3.916 20 0 EHADRM Cc1cc(F)c(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cc1F ZINC000832887315 601866093 /nfs/dbraw/zinc/86/60/93/601866093.db2.gz PKFDVWMKYOOZSW-UHFFFAOYSA-N -1 0 334.322 3.635 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)C2(Cc3ccccc3)CC2)cc1 ZINC000833264011 601874410 /nfs/dbraw/zinc/87/44/10/601874410.db2.gz VXKOTHHFPJHNNS-UHFFFAOYSA-N -1 0 342.416 3.792 20 0 EHADRM C[C@H]1CN(Cc2ccc(C(=O)[O-])c(F)c2)C[C@H](c2ccsc2)O1 ZINC000828457334 601884829 /nfs/dbraw/zinc/88/48/29/601884829.db2.gz SNETVVHBSBCISO-MEDUHNTESA-N -1 0 335.400 3.547 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)CCCOCc1ccccc1 ZINC000262052054 601903058 /nfs/dbraw/zinc/90/30/58/601903058.db2.gz AFQGBTRLLFJLQX-MSOLQXFVSA-N -1 0 347.455 3.523 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)c1cccc(C(F)F)c1 ZINC000263534220 601903878 /nfs/dbraw/zinc/90/38/78/601903878.db2.gz NTZNNSCAKUEARU-ZIAGYGMSSA-N -1 0 325.355 3.778 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000739252351 601904232 /nfs/dbraw/zinc/90/42/32/601904232.db2.gz ZAXOGHGDZXCDBN-DYVFJYSZSA-N -1 0 342.395 3.811 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)c1ccc(F)cc1Cl ZINC000833131809 601910112 /nfs/dbraw/zinc/91/01/12/601910112.db2.gz GSZYVANCPKUVDY-TZMCWYRMSA-N -1 0 327.783 3.633 20 0 EHADRM Cc1cccc2[nH]cc(CC(=O)N[C@H]3CCCCCC[C@H]3C(=O)[O-])c21 ZINC000262084627 601911027 /nfs/dbraw/zinc/91/10/27/601911027.db2.gz HGGQPBFNRDNFHR-CVEARBPZSA-N -1 0 342.439 3.559 20 0 EHADRM COc1ccc(CCCC(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])cc1 ZINC000262180011 601913029 /nfs/dbraw/zinc/91/30/29/601913029.db2.gz OPVJGQYOXOJJEJ-QZTJIDSGSA-N -1 0 347.455 3.558 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)C2CCC(c3ccccc3)CC2)c1 ZINC000532594664 601920830 /nfs/dbraw/zinc/92/08/30/601920830.db2.gz FEUFXRMOLZGBGZ-UHFFFAOYSA-N -1 0 337.419 3.975 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)CCCOc2ccccc2Cl)c1 ZINC000170534534 601922767 /nfs/dbraw/zinc/92/27/67/601922767.db2.gz LEJVVTHFMUMGBD-UHFFFAOYSA-N -1 0 347.798 3.514 20 0 EHADRM CC[C@@](NC(=O)c1cc(C)c(F)cc1Cl)(C(=O)[O-])c1ccccc1 ZINC000553757665 601928764 /nfs/dbraw/zinc/92/87/64/601928764.db2.gz RYMPQZKOVNLBJH-SFHVURJKSA-N -1 0 349.789 3.907 20 0 EHADRM CC1(C)CC[C@H](NC(=O)C2CCC(NC(=O)[O-])CC2)c2ccccc21 ZINC000739065606 601929317 /nfs/dbraw/zinc/92/93/17/601929317.db2.gz OMABUSIFRGDTRA-KVULBXGLSA-N -1 0 344.455 3.742 20 0 EHADRM CCOc1ccc(NC(=S)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000737887302 601953023 /nfs/dbraw/zinc/95/30/23/601953023.db2.gz YPZZTYLIBIWQLA-UHFFFAOYSA-N -1 0 330.409 3.521 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cccc(OC(F)(F)F)c1 ZINC000190870889 601953561 /nfs/dbraw/zinc/95/35/61/601953561.db2.gz LFWNVTPQGXESDJ-UHFFFAOYSA-N -1 0 339.269 3.844 20 0 EHADRM O=C([O-])Cc1cccc(NCc2nnc(-c3ccccc3Cl)o2)c1 ZINC000819585925 601966502 /nfs/dbraw/zinc/96/65/02/601966502.db2.gz LQNSKPMUCJBRPO-UHFFFAOYSA-N -1 0 343.770 3.629 20 0 EHADRM O=C([O-])Cc1cccc(NCc2nc(-c3cccc(Cl)c3)no2)c1 ZINC000738630286 601969401 /nfs/dbraw/zinc/96/94/01/601969401.db2.gz KINXUWXRHZYURV-UHFFFAOYSA-N -1 0 343.770 3.629 20 0 EHADRM COc1ccc(N[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)cn1 ZINC000832407316 601971176 /nfs/dbraw/zinc/97/11/76/601971176.db2.gz FDKJLTCLXGEKKB-CYBMUJFWSA-N -1 0 327.167 3.635 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000261603327 601982589 /nfs/dbraw/zinc/98/25/89/601982589.db2.gz CAFJSVASRZAFKS-HXUWFJFHSA-N -1 0 338.407 3.606 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000392488007 601982628 /nfs/dbraw/zinc/98/26/28/601982628.db2.gz LRWSZESZJMGZFE-UHFFFAOYSA-N -1 0 338.285 3.977 20 0 EHADRM Cc1noc(C)c1NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000833022645 601991170 /nfs/dbraw/zinc/99/11/70/601991170.db2.gz BYXIIMZPYUZALT-UHFFFAOYSA-N -1 0 343.261 3.652 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000740709579 601997249 /nfs/dbraw/zinc/99/72/49/601997249.db2.gz LZVHAFXESCBDDS-UHFFFAOYSA-N -1 0 340.166 3.660 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)CCCc2ccc(Cl)c(Cl)c2)C1 ZINC000237776255 602001503 /nfs/dbraw/zinc/00/15/03/602001503.db2.gz IFOMYOCKCPDZFZ-INIZCTEOSA-N -1 0 344.238 3.639 20 0 EHADRM CCCCCCOc1ccc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000236661770 602013678 /nfs/dbraw/zinc/01/36/78/602013678.db2.gz LDTJGTHTXCNNRH-LJQANCHMSA-N -1 0 333.428 3.583 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)C2(Cc3ccccc3)CCC2)CC1 ZINC000538582802 602020369 /nfs/dbraw/zinc/02/03/69/602020369.db2.gz ROIFFRSGQAOVNW-UHFFFAOYSA-N -1 0 329.440 3.503 20 0 EHADRM CCCCNc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)CC(=O)[O-] ZINC000829402412 602020434 /nfs/dbraw/zinc/02/04/34/602020434.db2.gz WKAMMXLQCLAKBQ-JTQLQIEISA-N -1 0 346.349 3.967 20 0 EHADRM CCC[C@@H]1C[C@H]1NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000829256419 602023511 /nfs/dbraw/zinc/02/35/11/602023511.db2.gz OWPKRRWMQAGHGK-PRHODGIISA-N -1 0 330.306 3.714 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)[C@H]1C ZINC000828286720 602026123 /nfs/dbraw/zinc/02/61/23/602026123.db2.gz ZAXFPXPTOGXWCM-IUCAKERBSA-N -1 0 330.306 3.666 20 0 EHADRM CC(C)C[C@H]1CCCCN1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000826832563 602031247 /nfs/dbraw/zinc/03/12/47/602031247.db2.gz UDDJFMWYDPJWCR-OAHLLOKOSA-N -1 0 334.416 3.583 20 0 EHADRM CC[C@@H](C)Oc1ccc(NC(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC000828764095 602034737 /nfs/dbraw/zinc/03/47/37/602034737.db2.gz DZISDHGUJGPVQT-CYBMUJFWSA-N -1 0 342.395 3.884 20 0 EHADRM Cc1nc(NC(=O)c2cc(C)c(F)cc2Cl)sc1C(=O)[O-] ZINC000832867537 602041679 /nfs/dbraw/zinc/04/16/79/602041679.db2.gz YWEBZBTVOFCZNO-UHFFFAOYSA-N -1 0 328.752 3.503 20 0 EHADRM CCC[C@H]1CCCN(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C1 ZINC000829256429 602041954 /nfs/dbraw/zinc/04/19/54/602041954.db2.gz PDWIMXHEXGOZKY-AWEZNQCLSA-N -1 0 333.432 3.840 20 0 EHADRM CN(Cc1ccc(NC(=O)N[C@H]2CCCCC2(C)C)cc1)C(=O)[O-] ZINC000830836512 602042460 /nfs/dbraw/zinc/04/24/60/602042460.db2.gz XIHZONYJFDDLGZ-HNNXBMFYSA-N -1 0 333.432 3.887 20 0 EHADRM O=C([O-])C[C@@H]1CN(Cc2ccn(C3CCCC3)n2)c2ccccc21 ZINC000391654033 602045076 /nfs/dbraw/zinc/04/50/76/602045076.db2.gz HFHHKMWREXUSGI-CQSZACIVSA-N -1 0 325.412 3.577 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000827318314 602059560 /nfs/dbraw/zinc/05/95/60/602059560.db2.gz UMOJOHPPJPLVGE-SECBINFHSA-N -1 0 336.185 3.652 20 0 EHADRM O=C([O-])NC1CCC(C(=O)Nc2nc(-c3ccccc3)cs2)CC1 ZINC000740551711 602063066 /nfs/dbraw/zinc/06/30/66/602063066.db2.gz BNAQYGSFYRJYDH-UHFFFAOYSA-N -1 0 345.424 3.575 20 0 EHADRM O=C([O-])c1ccc(OCc2ccccc2)c(NC(=O)CC2CC2)c1 ZINC000833096032 602063435 /nfs/dbraw/zinc/06/34/35/602063435.db2.gz XESHYKOPHVEQSF-UHFFFAOYSA-N -1 0 325.364 3.702 20 0 EHADRM O=C([O-])c1ccc(OCc2ccccc2)c(NC(=O)c2ccco2)c1 ZINC000833324074 602063828 /nfs/dbraw/zinc/06/38/28/602063828.db2.gz SVLAQXSGRPOZDZ-UHFFFAOYSA-N -1 0 337.331 3.809 20 0 EHADRM CCCCC[C@@H](NC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccccc1 ZINC000829327099 602067879 /nfs/dbraw/zinc/06/78/79/602067879.db2.gz ULVQCJGGMOVVPA-APWZRJJASA-N -1 0 332.444 3.814 20 0 EHADRM Cc1ccccc1[C@H](CC(C)C)NC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000263228367 602068928 /nfs/dbraw/zinc/06/89/28/602068928.db2.gz MBIXNKJBZRCMDP-LPHOPBHVSA-N -1 0 332.444 3.588 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)CCCc2ccc(F)c(F)c2)c1 ZINC000238108035 602069029 /nfs/dbraw/zinc/06/90/29/602069029.db2.gz LHIHCWRQKOZTAT-UHFFFAOYSA-N -1 0 333.334 3.553 20 0 EHADRM O=C([O-])[C@@H](OC(=O)[C@H]1CCCS1)c1cc(Cl)cc(Cl)c1 ZINC000833348285 602088539 /nfs/dbraw/zinc/08/85/39/602088539.db2.gz RQMOKQVNTNKQMW-MNOVXSKESA-N -1 0 335.208 3.558 20 0 EHADRM O=C([O-])[C@@H](OC(=O)C[C@@H]1CCCCO1)c1cc(Cl)cc(Cl)c1 ZINC000833094247 602089544 /nfs/dbraw/zinc/08/95/44/602089544.db2.gz SZAGFPYPUGUBPX-JSGCOSHPSA-N -1 0 347.194 3.622 20 0 EHADRM C/C(=C\COC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)C(=O)[O-] ZINC000825758942 602092874 /nfs/dbraw/zinc/09/28/74/602092874.db2.gz SQSBWSPNCVDWMW-ICAUCVKBSA-N -1 0 348.704 3.860 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)Nc1ccc(F)c(F)c1F ZINC000403101649 602093156 /nfs/dbraw/zinc/09/31/56/602093156.db2.gz XDHWHAQVTLLHKF-UHFFFAOYSA-N -1 0 332.322 3.651 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000827274358 602102266 /nfs/dbraw/zinc/10/22/66/602102266.db2.gz XGVXUOJDIJCPNG-PXAZEXFGSA-N -1 0 331.799 3.656 20 0 EHADRM CN(CCCC(=O)N1Cc2ccccc2-c2ccccc2C1)C(=O)[O-] ZINC000737418421 602123183 /nfs/dbraw/zinc/12/31/83/602123183.db2.gz PKHHFUQOEHORRH-UHFFFAOYSA-N -1 0 338.407 3.586 20 0 EHADRM CSc1ccc2cc(Cn3cc(C(=O)[O-])nc3C)c(Cl)nc2c1 ZINC000832785621 602125146 /nfs/dbraw/zinc/12/51/46/602125146.db2.gz OQUCEKFIRJUREX-UHFFFAOYSA-N -1 0 347.827 3.862 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1ccn(C2CCCC2)n1)c1ccccc1 ZINC000828595246 602126351 /nfs/dbraw/zinc/12/63/51/602126351.db2.gz VEHSBQXCCVFPJB-KRWDZBQOSA-N -1 0 341.411 3.508 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1 ZINC000827274305 602129714 /nfs/dbraw/zinc/12/97/14/602129714.db2.gz WZIMRODCAHQOBC-SUMWQHHRSA-N -1 0 345.826 3.851 20 0 EHADRM O=C([O-])CCN(C(=O)c1cccc(Cl)c1F)c1cccc(F)c1 ZINC000833231750 602130186 /nfs/dbraw/zinc/13/01/86/602130186.db2.gz PUSQDGMIKSRGJA-UHFFFAOYSA-N -1 0 339.725 3.740 20 0 EHADRM CC(C)Oc1cncc(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000827065773 602149110 /nfs/dbraw/zinc/14/91/10/602149110.db2.gz CDPOAVCIRMRHCD-HNNXBMFYSA-N -1 0 349.770 3.505 20 0 EHADRM CN(C(=O)c1ccc2sccc2c1)[C@H](C(=O)[O-])c1ccccc1 ZINC000776620047 602149381 /nfs/dbraw/zinc/14/93/81/602149381.db2.gz CVCLYZNBXLMDQL-INIZCTEOSA-N -1 0 325.389 3.799 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)c2ccc3sccc3c2)cc1 ZINC000833287066 602151803 /nfs/dbraw/zinc/15/18/03/602151803.db2.gz DCDLIFVHNYIEKN-UHFFFAOYSA-N -1 0 340.404 3.964 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=S)Nc1ccc(F)cc1)c1ccccc1 ZINC000826105816 602151995 /nfs/dbraw/zinc/15/19/95/602151995.db2.gz KEBHUQXVWBIFPX-OAHLLOKOSA-N -1 0 346.427 3.964 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000829009346 602152964 /nfs/dbraw/zinc/15/29/64/602152964.db2.gz BWHSLODPXPDVAV-KSSFIOAISA-N -1 0 345.439 3.719 20 0 EHADRM CCS[C@@H](C)c1noc(CNc2ccc(CCC(=O)[O-])cc2)n1 ZINC000830151548 602161964 /nfs/dbraw/zinc/16/19/64/602161964.db2.gz ZXXGHFOEXCNEAD-NSHDSACASA-N -1 0 335.429 3.513 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(-c2ccco2)s1)c1ccccc1 ZINC000833199414 602174075 /nfs/dbraw/zinc/17/40/75/602174075.db2.gz XYQAYQQYUSRKRP-CYBMUJFWSA-N -1 0 341.388 3.954 20 0 EHADRM CCOc1ccc(C(=O)Nc2ccccc2NC(=O)[O-])cc1OCC ZINC000739498173 602178388 /nfs/dbraw/zinc/17/83/88/602178388.db2.gz RGGLSSVRHAGARM-UHFFFAOYSA-N -1 0 344.367 3.826 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)c1nc(Cl)ccc1Cl ZINC000740715758 602178475 /nfs/dbraw/zinc/17/84/75/602178475.db2.gz OGVRQXJARCYEON-UHFFFAOYSA-N -1 0 326.139 3.731 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)COc1ccc2ccccc2c1 ZINC000740714570 602179799 /nfs/dbraw/zinc/17/97/99/602179799.db2.gz SSRYREIMEBYJGX-UHFFFAOYSA-N -1 0 336.347 3.947 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)Oc1ccccc1-c1nc2ccccc2s1 ZINC000827348233 602181096 /nfs/dbraw/zinc/18/10/96/602181096.db2.gz AXWOVXAMICIGQL-NSHDSACASA-N -1 0 341.388 3.980 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000562401696 602183328 /nfs/dbraw/zinc/18/33/28/602183328.db2.gz IWMOPYUHEYEZCX-DRZSPHRISA-N -1 0 325.430 3.759 20 0 EHADRM CCOc1ccc(OC(C)(C)C(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000574147563 602186170 /nfs/dbraw/zinc/18/61/70/602186170.db2.gz RUNPAXDWAHQPSQ-UHFFFAOYSA-N -1 0 349.408 3.641 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2cnc(Cc3ccccc3)s2)c1 ZINC000191384918 602187732 /nfs/dbraw/zinc/18/77/32/602187732.db2.gz YNBAVLROLFJKLX-UHFFFAOYSA-N -1 0 344.417 3.746 20 0 EHADRM Cc1c(C(=O)Nc2cc(C(=O)[O-])cs2)sc2nccc(C)c12 ZINC000832984824 602189082 /nfs/dbraw/zinc/18/90/82/602189082.db2.gz IQEIYCSZNSXVSI-UHFFFAOYSA-N -1 0 332.406 3.925 20 0 EHADRM CCC1(CNC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])CCCC1 ZINC000236638414 602193138 /nfs/dbraw/zinc/19/31/38/602193138.db2.gz QVVCZMFZDSOOEL-ZDUSSCGKSA-N -1 0 335.469 3.952 20 0 EHADRM Cc1nc(Cc2ccccc2)sc1[C@H](C)OC(=O)[C@@H](C)CC(=O)[O-] ZINC000833000219 602194939 /nfs/dbraw/zinc/19/49/39/602194939.db2.gz DTVUGZQORCZNSI-AAEUAGOBSA-N -1 0 347.436 3.757 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000740673125 602197244 /nfs/dbraw/zinc/19/72/44/602197244.db2.gz GIYBUMGFXUHCDZ-UHFFFAOYSA-N -1 0 338.285 3.725 20 0 EHADRM Cc1ccc(SCC(=O)Nc2cccc(CNC(=O)[O-])c2)c(C)c1 ZINC000740151284 602199866 /nfs/dbraw/zinc/19/98/66/602199866.db2.gz YFMXMFZZERTGLZ-UHFFFAOYSA-N -1 0 344.436 3.802 20 0 EHADRM CSc1ccc(C)c(C(=O)Nc2cccc(CNC(=O)[O-])c2)c1 ZINC000740015517 602199905 /nfs/dbraw/zinc/19/99/05/602199905.db2.gz CEVZKRCAKXVFQD-UHFFFAOYSA-N -1 0 330.409 3.737 20 0 EHADRM Cc1ccc(CCC(=O)Nc2cccc(CNC(=O)[O-])c2)c(C)c1 ZINC000740120153 602201742 /nfs/dbraw/zinc/20/17/42/602201742.db2.gz FJDDQJVSDLBJKK-UHFFFAOYSA-N -1 0 326.396 3.642 20 0 EHADRM CCN(C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12)C(C)C ZINC000829602709 602224177 /nfs/dbraw/zinc/22/41/77/602224177.db2.gz WKWKBURCQVCLMS-UHFFFAOYSA-N -1 0 330.384 3.565 20 0 EHADRM Cc1ccc(-c2cccc(CNC(=O)CCCN(C)C(=O)[O-])c2)cc1 ZINC000832905805 602234074 /nfs/dbraw/zinc/23/40/74/602234074.db2.gz IFGZXAALURFOSO-UHFFFAOYSA-N -1 0 340.423 3.668 20 0 EHADRM COc1ccccc1NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000832623308 602234937 /nfs/dbraw/zinc/23/49/37/602234937.db2.gz NUUWXYCYTDHWNH-INIZCTEOSA-N -1 0 342.395 3.669 20 0 EHADRM COc1cccc(NC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c1 ZINC000832562557 602235891 /nfs/dbraw/zinc/23/58/91/602235891.db2.gz NUFYRFABUBKUBV-INIZCTEOSA-N -1 0 342.395 3.669 20 0 EHADRM CCn1c(SCc2ccoc2C(=O)[O-])nnc1-c1ccc(C)cc1 ZINC000830416113 602242200 /nfs/dbraw/zinc/24/22/00/602242200.db2.gz HTZKOSIJEXGJOH-UHFFFAOYSA-N -1 0 343.408 3.857 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)c3cc(Cl)c(Cl)[nH]3)ccc21 ZINC000740468759 602251874 /nfs/dbraw/zinc/25/18/74/602251874.db2.gz BYCZVFWKEBTQQM-UHFFFAOYSA-N -1 0 340.166 3.614 20 0 EHADRM Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)CN(C)C(=O)[O-] ZINC000738464287 602258852 /nfs/dbraw/zinc/25/88/52/602258852.db2.gz FECGPRRVEDSUIG-CQSZACIVSA-N -1 0 342.395 3.683 20 0 EHADRM CN(Cc1ccc2ccccc2c1)C(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000739717824 602259524 /nfs/dbraw/zinc/25/95/24/602259524.db2.gz YEQUSGUENUUEPS-UHFFFAOYSA-N -1 0 348.402 3.880 20 0 EHADRM Cc1ccccc1CC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000237715668 602261604 /nfs/dbraw/zinc/26/16/04/602261604.db2.gz OELLMRYBFBBPEZ-UHFFFAOYSA-N -1 0 349.386 3.793 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2cccs2)c2ccccc12 ZINC000237967261 602261623 /nfs/dbraw/zinc/26/16/23/602261623.db2.gz ZVSFRZYDGIHERI-UHFFFAOYSA-N -1 0 327.361 3.617 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)/C=C/c2ccco2)c2ccccc12 ZINC000237961674 602261886 /nfs/dbraw/zinc/26/18/86/602261886.db2.gz MXXIUUCDGZLBAL-JXMROGBWSA-N -1 0 337.331 3.548 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000829009611 602271638 /nfs/dbraw/zinc/27/16/38/602271638.db2.gz IMLBACBKLZSEBE-CVEARBPZSA-N -1 0 338.375 3.623 20 0 EHADRM Cc1cc(COc2ccc([C@](C)(O)C(F)(F)F)cc2)oc1C(=O)[O-] ZINC000832885028 602288667 /nfs/dbraw/zinc/28/86/67/602288667.db2.gz IFAMTLVXYINRKI-HNNXBMFYSA-N -1 0 344.285 3.635 20 0 EHADRM C[C@H](NC(=O)Nc1cc(C(=O)[O-])cs1)c1ccc(F)c(F)c1 ZINC000827664100 602289159 /nfs/dbraw/zinc/28/91/59/602289159.db2.gz DTAPUOUBKLLKSV-ZETCQYMHSA-N -1 0 326.324 3.607 20 0 EHADRM C[C@@H](CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)c1ccncc1 ZINC000827241356 602291033 /nfs/dbraw/zinc/29/10/33/602291033.db2.gz WCPWKBYBEOFFKS-NSHDSACASA-N -1 0 344.436 3.852 20 0 EHADRM C[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1)c1ccncc1 ZINC000827226557 602296202 /nfs/dbraw/zinc/29/62/02/602296202.db2.gz OLTJEYJMMFIRIT-BLLLJJGKSA-N -1 0 346.814 3.561 20 0 EHADRM C[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)c1ccncc1 ZINC000827235413 602296618 /nfs/dbraw/zinc/29/66/18/602296618.db2.gz VBLAOMIAMTXSET-WBMJQRKESA-N -1 0 346.814 3.561 20 0 EHADRM CN(CCNC(=O)c1sc2cccc(Cl)c2c1Cl)C(=O)[O-] ZINC000739699250 602298377 /nfs/dbraw/zinc/29/83/77/602298377.db2.gz SDUNMPHKRVKKIL-UHFFFAOYSA-N -1 0 347.223 3.548 20 0 EHADRM Cc1c(Cl)c(C(=O)[O-])nn1CN1CCC[C@@H]1c1cc(C)ccc1C ZINC000832926368 602301313 /nfs/dbraw/zinc/30/13/13/602301313.db2.gz RXWVFQWXCBQMCF-OAHLLOKOSA-N -1 0 347.846 3.955 20 0 EHADRM O=C([O-])c1ccc(NCc2ccc(Br)s2)cc1F ZINC000128868968 602304017 /nfs/dbraw/zinc/30/40/17/602304017.db2.gz SXNUWFCFGRQXTN-UHFFFAOYSA-N -1 0 330.178 3.960 20 0 EHADRM CCC(CC)CC(=O)N[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000431436579 602308738 /nfs/dbraw/zinc/30/87/38/602308738.db2.gz UTAVTHQNCRSIQP-CQSZACIVSA-N -1 0 342.233 3.517 20 0 EHADRM CCN(Cc1ccccc1NC(=O)c1cc(C)ccc1F)C(=O)[O-] ZINC000739441571 602324626 /nfs/dbraw/zinc/32/46/26/602324626.db2.gz BMMZVKYUFFPBLU-UHFFFAOYSA-N -1 0 330.359 3.886 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)c1cncc(F)c1)CCCCC2 ZINC000833163475 602325464 /nfs/dbraw/zinc/32/54/64/602325464.db2.gz UANIZWQEYYGDDE-UHFFFAOYSA-N -1 0 334.372 3.502 20 0 EHADRM CC[C@H](CC(=O)N1CCCC[C@@H]1[C@@H](C)NC(=O)[O-])c1ccccc1 ZINC000739249971 602338560 /nfs/dbraw/zinc/33/85/60/602338560.db2.gz PZTLSKZRUPUYFY-BFYDXBDKSA-N -1 0 332.444 3.608 20 0 EHADRM CCC[C@@H](NC(=O)[O-])C(=O)N(Cc1ccsc1)c1ccccc1 ZINC000739303611 602339443 /nfs/dbraw/zinc/33/94/43/602339443.db2.gz BZNRSJFRECTKLP-OAHLLOKOSA-N -1 0 332.425 3.718 20 0 EHADRM C[C@@H](NC(=O)C1CCC(NC(=O)[O-])CC1)c1ccc2ccccc2c1 ZINC000738955321 602341843 /nfs/dbraw/zinc/34/18/43/602341843.db2.gz SNBWIPWZDHBQLP-MJJDPTRDSA-N -1 0 340.423 3.843 20 0 EHADRM Cc1c(Cl)cccc1OCC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000767206035 602357386 /nfs/dbraw/zinc/35/73/86/602357386.db2.gz LBZHOOHJJKILFN-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000776645924 602358436 /nfs/dbraw/zinc/35/84/36/602358436.db2.gz FJTPKHPSIVSBCJ-LLVKDONJSA-N -1 0 331.343 3.665 20 0 EHADRM Cc1cc(C(=O)NC[C@@H](NC(=O)[O-])c2ccc(C(C)C)cc2)c(C)o1 ZINC000740061188 602361412 /nfs/dbraw/zinc/36/14/12/602361412.db2.gz SEYOPBRIYQVWCP-QGZVFWFLSA-N -1 0 344.411 3.759 20 0 EHADRM CC(C)c1ccc(CCC(=O)N2CCC(CN(C)C(=O)[O-])CC2)cc1 ZINC000738882600 602366302 /nfs/dbraw/zinc/36/63/02/602366302.db2.gz MHINQOWAEHSABP-UHFFFAOYSA-N -1 0 346.471 3.591 20 0 EHADRM Cc1ccc(Cl)c(NC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000323204501 602367875 /nfs/dbraw/zinc/36/78/75/602367875.db2.gz QALLNPFETOMWFL-CYBMUJFWSA-N -1 0 332.787 3.638 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccc(OC)cc1 ZINC000828951147 602369233 /nfs/dbraw/zinc/36/92/33/602369233.db2.gz DXMPZVZBNPHSBB-MRXNPFEDSA-N -1 0 346.358 3.805 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCC2(c3cccc(F)c3)CC2)cc1F ZINC000833141565 602370386 /nfs/dbraw/zinc/37/03/86/602370386.db2.gz ZOLVJMFPJIROOW-UHFFFAOYSA-N -1 0 346.333 3.516 20 0 EHADRM Cc1ccccc1C[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000832981128 602374649 /nfs/dbraw/zinc/37/46/49/602374649.db2.gz ZNCUMSWYZJKUEX-LBPRGKRZSA-N -1 0 330.359 3.585 20 0 EHADRM CCS[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000830158769 602378778 /nfs/dbraw/zinc/37/87/78/602378778.db2.gz ZWODNPNBSLIWDK-KGLIPLIRSA-N -1 0 340.420 3.710 20 0 EHADRM CSc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000832777370 602380160 /nfs/dbraw/zinc/38/01/60/602380160.db2.gz JTUQRLSVTJAYKG-UHFFFAOYSA-N -1 0 334.372 3.568 20 0 EHADRM Cc1cccc2c1CC[C@H]2NC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000832973930 602383193 /nfs/dbraw/zinc/38/31/93/602383193.db2.gz GFLFLKVFRVYQPD-MRXNPFEDSA-N -1 0 328.343 3.641 20 0 EHADRM CCN(CCc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000829713439 602384331 /nfs/dbraw/zinc/38/43/31/602384331.db2.gz GZFZLLIXORMURS-UHFFFAOYSA-N -1 0 330.359 3.620 20 0 EHADRM Cc1ccc(C[C@@H](C)N(C)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000832929153 602386343 /nfs/dbraw/zinc/38/63/43/602386343.db2.gz NFVVGGHFLLZPRH-CYBMUJFWSA-N -1 0 344.386 3.927 20 0 EHADRM CC(C)c1cc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)nn1C(C)(C)C ZINC000827107161 602394072 /nfs/dbraw/zinc/39/40/72/602394072.db2.gz NZSFQEDUWKQMMS-UHFFFAOYSA-N -1 0 347.390 3.851 20 0 EHADRM CCCN(C(=O)NCCCNC(=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000739353480 602395560 /nfs/dbraw/zinc/39/55/60/602395560.db2.gz SVLBQLWOKSYLKT-CYBMUJFWSA-N -1 0 347.415 3.573 20 0 EHADRM O=C([O-])c1c(C2CC2)csc1NC(=O)CC1CCSCC1 ZINC000833097573 602398180 /nfs/dbraw/zinc/39/81/80/602398180.db2.gz PMQDDURZPACCCI-UHFFFAOYSA-N -1 0 325.455 3.796 20 0 EHADRM CCc1cccc(OCc2nc([C@H](CC(C)C)NC(=O)[O-])no2)c1 ZINC000739547415 602407076 /nfs/dbraw/zinc/40/70/76/602407076.db2.gz LOBVHSZWNNPRQM-AWEZNQCLSA-N -1 0 333.388 3.566 20 0 EHADRM Cc1ccc(C)c(OCc2nc([C@H](CC(C)C)NC(=O)[O-])no2)c1 ZINC000740119809 602407410 /nfs/dbraw/zinc/40/74/10/602407410.db2.gz UBUAGZMFPLFXFE-ZDUSSCGKSA-N -1 0 333.388 3.620 20 0 EHADRM COc1ccc(/C=C\c2nc([C@@H](CC(C)C)NC(=O)[O-])no2)cc1 ZINC000739895696 602410180 /nfs/dbraw/zinc/41/01/80/602410180.db2.gz YHLUPMQBCDDLJE-DEBLGDTFSA-N -1 0 331.372 3.603 20 0 EHADRM O=C([O-])NC1(c2noc(CCCCCc3cccs3)n2)CCC1 ZINC000740549633 602416338 /nfs/dbraw/zinc/41/63/38/602416338.db2.gz CYGVQNDBRCCLIS-UHFFFAOYSA-N -1 0 335.429 3.733 20 0 EHADRM O=C([O-])NCc1cccc(OCc2coc(-c3ccc(F)cc3)n2)c1 ZINC000740681593 602425995 /nfs/dbraw/zinc/42/59/95/602425995.db2.gz PHWNICILFAPSGJ-UHFFFAOYSA-N -1 0 342.326 3.827 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000740114621 602457251 /nfs/dbraw/zinc/45/72/51/602457251.db2.gz SRQTZKGYNRNVNY-MAUKXSAKSA-N -1 0 340.423 3.961 20 0 EHADRM CCN(Cc1ccccc1NC(=O)c1cc(F)ccc1OC)C(=O)[O-] ZINC000739442192 602459929 /nfs/dbraw/zinc/45/99/29/602459929.db2.gz JXPHXCWLMOEECX-UHFFFAOYSA-N -1 0 346.358 3.587 20 0 EHADRM Cc1nc2ccccc2cc1C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000740232393 602460950 /nfs/dbraw/zinc/46/09/50/602460950.db2.gz QPGKPFFSJPNZMN-UHFFFAOYSA-N -1 0 349.390 3.905 20 0 EHADRM CC(C)c1csc(NC(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)n1 ZINC000738880942 602462825 /nfs/dbraw/zinc/46/28/25/602462825.db2.gz YHPHFNBRHSYFJU-CYBMUJFWSA-N -1 0 347.440 3.994 20 0 EHADRM CC(C)[C@H](C)N(C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1)C1CC1 ZINC000738763112 602463711 /nfs/dbraw/zinc/46/37/11/602463711.db2.gz AEKBCPOFTJGUKE-WMLDXEAASA-N -1 0 332.444 3.811 20 0 EHADRM CC(C)c1ccccc1NC(=O)N1CCC([C@@H](C)NC(=O)[O-])CC1 ZINC000738875740 602464772 /nfs/dbraw/zinc/46/47/72/602464772.db2.gz HDHZJZPODZEOOX-CYBMUJFWSA-N -1 0 333.432 3.710 20 0 EHADRM CCCc1ccccc1NC(=O)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000739372413 602466049 /nfs/dbraw/zinc/46/60/49/602466049.db2.gz HXFMAIFBMVEIOU-ZDUSSCGKSA-N -1 0 333.432 3.539 20 0 EHADRM CCN1CCc2ccc(NC(=O)c3ccc(F)c(NC(=O)[O-])c3)cc21 ZINC000739454405 602488319 /nfs/dbraw/zinc/48/83/19/602488319.db2.gz BTHJRFMORMMQNW-UHFFFAOYSA-N -1 0 343.358 3.550 20 0 EHADRM Cc1cccc2c1CC[C@@H]2NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000740179640 602488605 /nfs/dbraw/zinc/48/86/05/602488605.db2.gz LTMRRDLBYBGSEW-HNNXBMFYSA-N -1 0 328.343 3.641 20 0 EHADRM Cc1cc2cc(NC(=O)c3ccc(F)c(NC(=O)[O-])c3)ccc2[nH]1 ZINC000740093834 602498789 /nfs/dbraw/zinc/49/87/89/602498789.db2.gz BLGLCYIQPFGBQW-UHFFFAOYSA-N -1 0 327.315 3.958 20 0 EHADRM CC(C)(C)[C@@H]1CCCN1C(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000738676813 602498896 /nfs/dbraw/zinc/49/88/96/602498896.db2.gz TWCFBLJSZFJXLI-HOTGVXAUSA-N -1 0 332.444 3.813 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)CSc2ccc3c(c2)CCC3)cc1 ZINC000740709814 602500325 /nfs/dbraw/zinc/50/03/25/602500325.db2.gz RSNAGVIYCVRHDO-UHFFFAOYSA-N -1 0 342.420 3.996 20 0 EHADRM COCc1c2ccccc2oc1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739842844 602500683 /nfs/dbraw/zinc/50/06/83/602500683.db2.gz MFYJFIXJFAUTSF-UHFFFAOYSA-N -1 0 340.335 3.921 20 0 EHADRM Cc1c(C(=O)Nc2ccc(NC(=O)[O-])cc2)cnn1-c1ccccc1 ZINC000740041587 602501331 /nfs/dbraw/zinc/50/13/31/602501331.db2.gz JMZODLBRYHBVSQ-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)CCCOc2ccc(F)cc2)cc1 ZINC000740709311 602501840 /nfs/dbraw/zinc/50/18/40/602501840.db2.gz XEJVPZNQNNSMNQ-UHFFFAOYSA-N -1 0 332.331 3.713 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1 ZINC000740712002 602502698 /nfs/dbraw/zinc/50/26/98/602502698.db2.gz IRCLUIKSYUCMOS-UHFFFAOYSA-N -1 0 340.314 3.558 20 0 EHADRM O=C(C=C(C1CC1)C1CC1)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000740345461 602509723 /nfs/dbraw/zinc/50/97/23/602509723.db2.gz BPZQTTABHBXEQZ-UHFFFAOYSA-N -1 0 326.396 3.802 20 0 EHADRM C[C@@H]1CCCC[C@]1(CNC(=O)[O-])NC(=O)c1cccc(C(F)F)c1 ZINC000739098546 602510230 /nfs/dbraw/zinc/51/02/30/602510230.db2.gz IDIUBQSDYVOMBC-PIGZYNQJSA-N -1 0 340.370 3.571 20 0 EHADRM Cc1ccccc1CCC(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000740181302 602510288 /nfs/dbraw/zinc/51/02/88/602510288.db2.gz DBHCGXRHCKKUKV-UHFFFAOYSA-N -1 0 338.407 3.997 20 0 EHADRM Cc1ccc(C(C)(C)C(=O)Nc2cccc(CNC(=O)[O-])c2)cc1 ZINC000740110626 602515219 /nfs/dbraw/zinc/51/52/19/602515219.db2.gz MVRPBFOIUZJOAC-UHFFFAOYSA-N -1 0 326.396 3.679 20 0 EHADRM CN(C(=O)[O-])C1CCN(Cc2coc(-c3cccc(Cl)c3)n2)CC1 ZINC000737936775 602530307 /nfs/dbraw/zinc/53/03/07/602530307.db2.gz AHDGLPGWNUGTTP-UHFFFAOYSA-N -1 0 349.818 3.569 20 0 EHADRM CCc1ccc(NC(=O)N2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)cc1 ZINC000739540600 602580541 /nfs/dbraw/zinc/58/05/41/602580541.db2.gz CMNGIYBPLLROHO-WBVHZDCISA-N -1 0 345.443 3.635 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)cc1F ZINC000740142126 602581098 /nfs/dbraw/zinc/58/10/98/602581098.db2.gz VDFUVTUTBLFPNK-CZUORRHYSA-N -1 0 349.406 3.520 20 0 EHADRM CC(C)(C)c1csc(CNC(=O)Nc2ccc(NC(=O)[O-])cc2)n1 ZINC000736300140 602598887 /nfs/dbraw/zinc/59/88/87/602598887.db2.gz USOXGWJDUIZVBY-UHFFFAOYSA-N -1 0 348.428 3.852 20 0 EHADRM CN(CCc1ccc(F)cc1)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739704671 602603665 /nfs/dbraw/zinc/60/36/65/602603665.db2.gz LEYNUJQWLOAOKS-UHFFFAOYSA-N -1 0 331.347 3.622 20 0 EHADRM CC(C)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000738801292 602607424 /nfs/dbraw/zinc/60/74/24/602607424.db2.gz PIGIFMIWFPLLBU-HNNXBMFYSA-N -1 0 331.416 3.770 20 0 EHADRM O=C([O-])N1CCc2ccc(NC(=O)N3CCCCCCC3)cc2C1 ZINC000740530498 602610552 /nfs/dbraw/zinc/61/05/52/602610552.db2.gz ZDNFNONGCVCRAW-UHFFFAOYSA-N -1 0 331.416 3.521 20 0 EHADRM CN(C(=O)CC[C@H](NC(=O)[O-])c1ccccc1)c1c(F)cccc1F ZINC000739574076 602642436 /nfs/dbraw/zinc/64/24/36/602642436.db2.gz ODGLLDDYGYDOOZ-HNNXBMFYSA-N -1 0 348.349 3.717 20 0 EHADRM Cc1cc(C)cc(C(=O)N2CCCc3cc(CNC(=O)[O-])ccc32)c1 ZINC000740062587 602646159 /nfs/dbraw/zinc/64/61/59/602646159.db2.gz BCSFRKBIZVLOOS-UHFFFAOYSA-N -1 0 338.407 3.664 20 0 EHADRM O=C([O-])Nc1ccc(NCc2nc(C3CC3)no2)c(C(F)(F)F)c1 ZINC000740712879 602646972 /nfs/dbraw/zinc/64/69/72/602646972.db2.gz FJNFJQCDCODYOZ-UHFFFAOYSA-N -1 0 342.277 3.668 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000738949225 602656699 /nfs/dbraw/zinc/65/66/99/602656699.db2.gz MSKMHOPCUQZYBB-CQSZACIVSA-N -1 0 326.396 3.614 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)OCc1cccnc1Cl)c1ccccc1 ZINC000740541110 602657799 /nfs/dbraw/zinc/65/77/99/602657799.db2.gz WKLGZJAEBCBTQN-AWEZNQCLSA-N -1 0 348.786 3.567 20 0 EHADRM CC(C)Oc1ccccc1C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000738865389 602673707 /nfs/dbraw/zinc/67/37/07/602673707.db2.gz LUXDLMRYTQPISG-UHFFFAOYSA-N -1 0 332.331 3.955 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2CCC[C@H](Cc3ccccc3)C2)c1 ZINC000740027403 602676189 /nfs/dbraw/zinc/67/61/89/602676189.db2.gz SEMXVDGSLJXOHM-MRXNPFEDSA-N -1 0 338.407 3.871 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)N3Cc4ccccc4C3)ccc21 ZINC000740465934 602680252 /nfs/dbraw/zinc/68/02/52/602680252.db2.gz SYMWHFJJNHNBNG-UHFFFAOYSA-N -1 0 337.379 3.665 20 0 EHADRM O=C([O-])NCc1nc(C(=O)O[C@H]2CCCCc3ccccc32)cs1 ZINC000740686040 602729212 /nfs/dbraw/zinc/72/92/12/602729212.db2.gz UYINBXNWVOBLJB-AWEZNQCLSA-N -1 0 346.408 3.535 20 0 EHADRM CCCCN(C(=O)c1ccc(CNC(=O)[O-])o1)[C@H](C)c1ccc(C)o1 ZINC000826830133 602762131 /nfs/dbraw/zinc/76/21/31/602762131.db2.gz MGIXXIKCCPQCST-CYBMUJFWSA-N -1 0 348.399 3.952 20 0 EHADRM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)c1sccc1-c1ccccc1 ZINC000740622219 602767751 /nfs/dbraw/zinc/76/77/51/602767751.db2.gz BPZPGUGGJPDSQU-DZGCQCFKSA-N -1 0 344.436 3.581 20 0 EHADRM CCN(C)[C@@H](C(=O)Nc1cc(NC(=O)[O-])ccc1F)c1ccccc1 ZINC000739384446 602783706 /nfs/dbraw/zinc/78/37/06/602783706.db2.gz GQGIAIHZSAWMCB-MRXNPFEDSA-N -1 0 345.374 3.547 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CN(C(=O)CCC(C)(C)NC(=O)[O-])C2CC2)o1 ZINC000739089265 602790692 /nfs/dbraw/zinc/79/06/92/602790692.db2.gz YSCAQFVYTHFZHH-SWLSCSKDSA-N -1 0 348.443 3.720 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000738945567 602801318 /nfs/dbraw/zinc/80/13/18/602801318.db2.gz BRAMVYLOCMUYGW-LBPRGKRZSA-N -1 0 342.370 3.684 20 0 EHADRM C[C@H](C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-])c1cccs1 ZINC000738629499 602802282 /nfs/dbraw/zinc/80/22/82/602802282.db2.gz HGFFCFBIKPNLOM-NSHDSACASA-N -1 0 330.409 3.921 20 0 EHADRM CC(C)CC[C@@H](NC(=O)N1CCC(N(C)C(=O)[O-])CC1)C(C)(C)C ZINC000737621767 602806823 /nfs/dbraw/zinc/80/68/23/602806823.db2.gz IEVKSEJFZSRMEI-OAHLLOKOSA-N -1 0 341.496 3.621 20 0 EHADRM CC[C@H](NC(=O)c1cccc(NC(=O)[O-])c1)c1ccc(F)cc1F ZINC000736920254 602814202 /nfs/dbraw/zinc/81/42/02/602814202.db2.gz PNTUINDUQLBBAU-HNNXBMFYSA-N -1 0 334.322 3.936 20 0 EHADRM CN(Cc1csc2ccccc12)C(=O)CCC(C)(C)NC(=O)[O-] ZINC000739715820 602822859 /nfs/dbraw/zinc/82/28/59/602822859.db2.gz FXCKARZFTQKILY-UHFFFAOYSA-N -1 0 334.441 3.686 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000824817148 602828646 /nfs/dbraw/zinc/82/86/46/602828646.db2.gz OIJKXGIKUPNQJE-NSHDSACASA-N -1 0 331.347 3.518 20 0 EHADRM Cc1ccc(CN(C)C(=O)[C@H](C)[C@H](NC(=O)[O-])c2ccccc2)s1 ZINC000830302745 602840452 /nfs/dbraw/zinc/84/04/52/602840452.db2.gz NGMGURNWLZXFIB-CJNGLKHVSA-N -1 0 346.452 3.660 20 0 EHADRM CN(CCc1ccc(Cl)cc1)C(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000739703991 602843561 /nfs/dbraw/zinc/84/35/61/602843561.db2.gz FEHATSPWDSXREY-UHFFFAOYSA-N -1 0 346.814 3.674 20 0 EHADRM CCC[C@H](CC1CCCC1)C(=O)N1CCC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739306092 602845593 /nfs/dbraw/zinc/84/55/93/602845593.db2.gz PECIQZUFDHRUCA-DLBZAZTESA-N -1 0 338.492 3.831 20 0 EHADRM CCC[C@H](CC1CCCCC1)C(=O)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739307082 602847994 /nfs/dbraw/zinc/84/79/94/602847994.db2.gz SXQFEVHRPLBSTN-IAGOWNOFSA-N -1 0 338.492 3.831 20 0 EHADRM C[C@H](C(=O)N(C1CC1)C1CCCC1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823654444 602848572 /nfs/dbraw/zinc/84/85/72/602848572.db2.gz JSWMBTWHMMHAED-SUMWQHHRSA-N -1 0 330.428 3.565 20 0 EHADRM CC(C)OCc1ccc(NC(=O)c2ccc(NC(=O)[O-])cc2O)cc1 ZINC000738863751 602852415 /nfs/dbraw/zinc/85/24/15/602852415.db2.gz PQGNTHHBJJOWND-UHFFFAOYSA-N -1 0 344.367 3.659 20 0 EHADRM CC(C)Cc1cc(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)n[nH]1 ZINC000738833718 602857852 /nfs/dbraw/zinc/85/78/52/602857852.db2.gz BZMWMLKALIXMEG-UHFFFAOYSA-N -1 0 336.779 3.604 20 0 EHADRM Cc1ccc(C(=O)NC2(c3ccc(F)cc3)CC2)cc1NC(=O)[O-] ZINC000830204533 602859861 /nfs/dbraw/zinc/85/98/61/602859861.db2.gz HACPDCLBNNCZFJ-UHFFFAOYSA-N -1 0 328.343 3.643 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3F)C2)cc1NC(=O)[O-] ZINC000830187289 602882478 /nfs/dbraw/zinc/88/24/78/602882478.db2.gz OTCAQIOFUNTBNY-CQSZACIVSA-N -1 0 342.370 3.854 20 0 EHADRM CC[C@@H](NC(=O)Nc1cc(NC(=O)[O-])ccc1F)c1nccs1 ZINC000739262407 602901274 /nfs/dbraw/zinc/90/12/74/602901274.db2.gz APRYPMMVBJEZNI-SNVBAGLBSA-N -1 0 338.364 3.645 20 0 EHADRM CN(Cc1cccc(NC(=O)N2CCC3(CCCC3)CC2)c1)C(=O)[O-] ZINC000739707565 602903755 /nfs/dbraw/zinc/90/37/55/602903755.db2.gz UYKJUSPTABVFLE-UHFFFAOYSA-N -1 0 345.443 3.985 20 0 EHADRM C[C@@H](CC(=O)N(Cc1ccccc1F)c1ccc(F)cc1)NC(=O)[O-] ZINC000824565504 602903779 /nfs/dbraw/zinc/90/37/79/602903779.db2.gz OAHYAHJRINUPPD-LBPRGKRZSA-N -1 0 348.349 3.544 20 0 EHADRM Cc1ccc(N(Cc2cccs2)C(=O)C[C@H](C)NC(=O)[O-])cc1 ZINC000830340308 602904726 /nfs/dbraw/zinc/90/47/26/602904726.db2.gz KQYUPVYRJBDSON-ZDUSSCGKSA-N -1 0 332.425 3.636 20 0 EHADRM CCCCCc1ccc(NC(=O)N2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)cc1 ZINC000739327685 602910285 /nfs/dbraw/zinc/91/02/85/602910285.db2.gz WKPVCPLXDVRNGJ-WMLDXEAASA-N -1 0 347.459 3.929 20 0 EHADRM Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)OC(=O)[C@@H](C)NC(=O)[O-] ZINC000740092576 602929674 /nfs/dbraw/zinc/92/96/74/602929674.db2.gz MFUGGZODTGDECV-VXGBXAGGSA-N -1 0 348.424 3.687 20 0 EHADRM C[C@@H](Cc1ccccc1F)c1nc(C2(NC(=O)[O-])CCCC2)no1 ZINC000738946346 602930292 /nfs/dbraw/zinc/93/02/92/602930292.db2.gz DYMRZAPLOMGHDW-NSHDSACASA-N -1 0 333.363 3.592 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-])c1cc(Cl)ccc1Cl ZINC000738961057 602950046 /nfs/dbraw/zinc/95/00/46/602950046.db2.gz NXPCKLRQNURAEU-IYYTYJHQSA-N -1 0 345.226 3.607 20 0 EHADRM C[C@H](C(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823654225 602951439 /nfs/dbraw/zinc/95/14/39/602951439.db2.gz HTKKORABLBJHER-PSOLEGPJSA-N -1 0 344.455 3.811 20 0 EHADRM CCOc1ccccc1CCC(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000737886588 602963353 /nfs/dbraw/zinc/96/33/53/602963353.db2.gz LPNUMJZNETYNJZ-UHFFFAOYSA-N -1 0 329.352 3.713 20 0 EHADRM CC(C)[C@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccccc1 ZINC000738774504 603002836 /nfs/dbraw/zinc/00/28/36/603002836.db2.gz NOJGDGWPDFPXHT-FBVQUNGASA-N -1 0 344.455 3.606 20 0 EHADRM COc1cccc(F)c1[C@H](C)NC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000829565121 603007495 /nfs/dbraw/zinc/00/74/95/603007495.db2.gz RBYAMUSGZOURRK-NSHDSACASA-N -1 0 346.358 3.724 20 0 EHADRM C[C@@H](CSc1ccccc1)c1nc([C@@H](C)CN(C)C(=O)[O-])no1 ZINC000738910515 603011010 /nfs/dbraw/zinc/01/10/10/603011010.db2.gz RZUPPANMNOCVSC-RYUDHWBXSA-N -1 0 335.429 3.679 20 0 EHADRM Cc1ccc(C)c(NC(=O)CNc2cc(NC(=O)[O-])ccc2F)c1 ZINC000740115793 603019067 /nfs/dbraw/zinc/01/90/67/603019067.db2.gz OADIWCPNEQHVHI-UHFFFAOYSA-N -1 0 331.347 3.583 20 0 EHADRM C[C@H](CNC(=O)Nc1cc(NC(=O)[O-])ccc1F)Oc1ccccc1 ZINC000738919754 603032563 /nfs/dbraw/zinc/03/25/63/603032563.db2.gz KIPPOSYQDFOZMK-LLVKDONJSA-N -1 0 347.346 3.505 20 0 EHADRM CCOc1ccccc1CCC(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000827459580 603038675 /nfs/dbraw/zinc/03/86/75/603038675.db2.gz IDQKUEXCTZMQJI-UHFFFAOYSA-N -1 0 343.379 3.738 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N2CCc3ccccc3CC2)c1 ZINC000740704952 603038980 /nfs/dbraw/zinc/03/89/80/603038980.db2.gz HELWERVFQGATOC-UHFFFAOYSA-N -1 0 343.358 3.548 20 0 EHADRM C[C@@H](COc1ccccc1)NC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000738942277 603040612 /nfs/dbraw/zinc/04/06/12/603040612.db2.gz TYQUORXUHCGKPO-NSHDSACASA-N -1 0 347.346 3.505 20 0 EHADRM Cc1cc(OCC(=O)Oc2ccc(N(C)C(=O)[O-])cc2)ccc1Cl ZINC000830128882 603041376 /nfs/dbraw/zinc/04/13/76/603041376.db2.gz IWTRBNLOBRXWJE-UHFFFAOYSA-N -1 0 349.770 3.747 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)C(C)(C)Oc2ccc(F)cc2)cc1 ZINC000827900384 603042328 /nfs/dbraw/zinc/04/23/28/603042328.db2.gz PAKNUMXQZPAVNJ-UHFFFAOYSA-N -1 0 347.342 3.703 20 0 EHADRM Cc1cc2ccccc2n1CC(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000830143485 603046951 /nfs/dbraw/zinc/04/69/51/603046951.db2.gz JBZOCTMFCRPJDY-UHFFFAOYSA-N -1 0 338.363 3.670 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)CSCc2ccc(F)cc2)cc1 ZINC000827908684 603048479 /nfs/dbraw/zinc/04/84/79/603048479.db2.gz ONJSDCAAYCHLCR-UHFFFAOYSA-N -1 0 349.383 3.779 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)C[C@H]2CCOc3ccccc32)cc1 ZINC000827909242 603049521 /nfs/dbraw/zinc/04/95/21/603049521.db2.gz XIFLCVRFXFJFFE-CYBMUJFWSA-N -1 0 341.363 3.663 20 0 EHADRM Cc1ccccc1OCCCC(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000830586749 603051007 /nfs/dbraw/zinc/05/10/07/603051007.db2.gz PLWLZFULHCVMOM-UHFFFAOYSA-N -1 0 343.379 3.874 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)CC2CCN(C(=O)[O-])CC2)C1 ZINC000825850504 603061062 /nfs/dbraw/zinc/06/10/62/603061062.db2.gz CTBDEHCEYBYGAC-DYVFJYSZSA-N -1 0 348.418 3.515 20 0 EHADRM CC(C)c1ccc2cc(C(=O)NC3CCC(NC(=O)[O-])CC3)[nH]c2c1 ZINC000738876136 603066390 /nfs/dbraw/zinc/06/63/90/603066390.db2.gz KYSAYKXXJKZYAC-UHFFFAOYSA-N -1 0 343.427 3.600 20 0 EHADRM O=C([O-])NC[C@H](C(=O)Nc1cccc2ccccc21)c1ccccc1 ZINC000740599088 603078654 /nfs/dbraw/zinc/07/86/54/603078654.db2.gz YNZVOZWZQKZAQI-KRWDZBQOSA-N -1 0 334.375 3.830 20 0 EHADRM CCC[C@H](NC(=O)[O-])C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000739321106 603080355 /nfs/dbraw/zinc/08/03/55/603080355.db2.gz UFPXRYIRCSAVAA-INIZCTEOSA-N -1 0 334.416 3.521 20 0 EHADRM COc1ccc(OCCNc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1 ZINC000739927748 603103777 /nfs/dbraw/zinc/10/37/77/603103777.db2.gz AEOJRUIQAZQRGY-CYBMUJFWSA-N -1 0 330.384 3.515 20 0 EHADRM CC[C@@H](CC1CCCCC1)C(=O)N1CCC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739256819 603108091 /nfs/dbraw/zinc/10/80/91/603108091.db2.gz AAKFSDYVQWCWMF-IRXDYDNUSA-N -1 0 338.492 3.831 20 0 EHADRM CC[C@](C)(NC(=O)Nc1ccc(NC(=O)[O-])cc1)c1nccs1 ZINC000736861852 603138785 /nfs/dbraw/zinc/13/87/85/603138785.db2.gz RZZICGIGXDOQGV-HNNXBMFYSA-N -1 0 334.401 3.680 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000740568457 603149888 /nfs/dbraw/zinc/14/98/88/603149888.db2.gz FSRNEQXCACFWAM-SCZZXKLOSA-N -1 0 331.199 3.758 20 0 EHADRM C[C@H](OC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1)c1nc2ccccc2s1 ZINC000739043315 603153834 /nfs/dbraw/zinc/15/38/34/603153834.db2.gz HNEBYROYRTVYPK-SRVKXCTJSA-N -1 0 348.424 3.727 20 0 EHADRM CN(Cc1cccc2ccccc21)C(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739714850 603164641 /nfs/dbraw/zinc/16/46/41/603164641.db2.gz YMKYXYZVMFTKAI-RDJZCZTQSA-N -1 0 340.423 3.625 20 0 EHADRM C[C@H](CC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1)c1cccnc1 ZINC000824685636 603172818 /nfs/dbraw/zinc/17/28/18/603172818.db2.gz ONNKJRAWCSASRY-CHWSQXEVSA-N -1 0 327.384 3.543 20 0 EHADRM Cc1c(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)cnn1C(C)(C)C ZINC000829854450 603174048 /nfs/dbraw/zinc/17/40/48/603174048.db2.gz IQDNSRIXRLQOTP-LLVKDONJSA-N -1 0 344.415 3.527 20 0 EHADRM Cc1cccc(NC(=S)Nc2cccc3c2CCN(C(=O)[O-])C3)c1 ZINC000740173148 603174290 /nfs/dbraw/zinc/17/42/90/603174290.db2.gz RGUCZCYSYXFDDE-UHFFFAOYSA-N -1 0 341.436 3.840 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)COc2cccc(Cl)c2)cc1 ZINC000825423126 603174513 /nfs/dbraw/zinc/17/45/13/603174513.db2.gz NTLNIZWLTCETCI-NSHDSACASA-N -1 0 348.786 3.686 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)N2CCCCC[C@H]2c2ccccc2)C1 ZINC000740565533 603174951 /nfs/dbraw/zinc/17/49/51/603174951.db2.gz RCZSTSLHHGXOTI-KURKYZTESA-N -1 0 344.455 3.957 20 0 EHADRM CCc1ccccc1OCC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000827604681 603175369 /nfs/dbraw/zinc/17/53/69/603175369.db2.gz QYIQBNRQWUQHAF-CYBMUJFWSA-N -1 0 342.395 3.595 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)[C@H](C)c2ccccc2F)cc1 ZINC000825415908 603180385 /nfs/dbraw/zinc/18/03/85/603180385.db2.gz ICFUDIPPYYTDAM-VXGBXAGGSA-N -1 0 330.359 3.897 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)Cc2cc3ccccc3o2)cc1 ZINC000825423531 603180992 /nfs/dbraw/zinc/18/09/92/603180992.db2.gz QSCKCHIUADVMEM-LBPRGKRZSA-N -1 0 338.363 3.943 20 0 EHADRM CSc1ccsc1C(=O)Nc1cccc2c1CCN(C(=O)[O-])C2 ZINC000740020804 603181133 /nfs/dbraw/zinc/18/11/33/603181133.db2.gz OEVHSLZUTDVLEP-UHFFFAOYSA-N -1 0 348.449 3.758 20 0 EHADRM CC(C)c1nc(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)cs1 ZINC000824482185 603185908 /nfs/dbraw/zinc/18/59/08/603185908.db2.gz ISPDUCILBJIIIH-JTQLQIEISA-N -1 0 333.413 3.847 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2cccc(-c3ncc[nH]3)c2)ccc1F ZINC000740699242 603197644 /nfs/dbraw/zinc/19/76/44/603197644.db2.gz SFXXDLXGICSCDN-UHFFFAOYSA-N -1 0 340.314 3.558 20 0 EHADRM CC(C)[C@H](c1ccccc1)N(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000738799202 603203859 /nfs/dbraw/zinc/20/38/59/603203859.db2.gz HCIQEOZARCKQIA-BRWVUGGUSA-N -1 0 332.444 3.669 20 0 EHADRM C[C@H](CNC(=O)c1ccc(NC(=O)[O-])cc1Cl)c1ccccc1 ZINC000738939935 603205208 /nfs/dbraw/zinc/20/52/08/603205208.db2.gz PTDXTZSLXRLKJZ-LLVKDONJSA-N -1 0 332.787 3.963 20 0 EHADRM C[C@H](CCc1ccco1)NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000738907797 603205899 /nfs/dbraw/zinc/20/58/99/603205899.db2.gz NAZYOANMVATVJP-SNVBAGLBSA-N -1 0 336.775 3.774 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000739093229 603208192 /nfs/dbraw/zinc/20/81/92/603208192.db2.gz WOGCIQXQKVMWLK-LAVFITLUSA-N -1 0 344.455 3.955 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000739093233 603208193 /nfs/dbraw/zinc/20/81/93/603208193.db2.gz WOGCIQXQKVMWLK-SPUZQDLCSA-N -1 0 344.455 3.955 20 0 EHADRM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(C)c(NC(=O)[O-])c2)C1 ZINC000827494966 603209619 /nfs/dbraw/zinc/20/96/19/603209619.db2.gz FNPOHPCFGZOXEM-ZIAGYGMSSA-N -1 0 336.457 3.831 20 0 EHADRM C[C@H](C(=O)NCc1ccc(Cl)cc1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823706140 603209857 /nfs/dbraw/zinc/20/98/57/603209857.db2.gz YYHLXWGYHJWNFV-BLLLJJGKSA-N -1 0 346.814 3.601 20 0 EHADRM C[C@@H](C(=O)N[C@@H](C)c1ccccc1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823714669 603209903 /nfs/dbraw/zinc/20/99/03/603209903.db2.gz QMODDHKZTCUKMY-JKIFEVAISA-N -1 0 326.396 3.509 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)Nc1cccc(C)c1 ZINC000829187416 603211086 /nfs/dbraw/zinc/21/10/86/603211086.db2.gz HOWKNAWWCDYEIE-UHFFFAOYSA-N -1 0 334.759 3.999 20 0 EHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)o1 ZINC000740117756 603211798 /nfs/dbraw/zinc/21/17/98/603211798.db2.gz KELHIDFZONRMJM-JYJNAYRXSA-N -1 0 348.443 3.858 20 0 EHADRM Cc1ccc([C@H]2CCCCN2C(=O)Cc2ccc(NC(=O)[O-])cc2)o1 ZINC000740117560 603218365 /nfs/dbraw/zinc/21/83/65/603218365.db2.gz IQEGNFITLZNYTF-MRXNPFEDSA-N -1 0 342.395 3.974 20 0 EHADRM COc1ccccc1[C@H](C)NC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000829592130 603229924 /nfs/dbraw/zinc/22/99/24/603229924.db2.gz MJADKILPFCETHA-LBPRGKRZSA-N -1 0 328.368 3.585 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=S)NCc2cccs2)cc1 ZINC000825448297 603238996 /nfs/dbraw/zinc/23/89/96/603238996.db2.gz CEDPWDFKYPWTBT-SNVBAGLBSA-N -1 0 335.454 3.563 20 0 EHADRM COC[C@H](NC(=O)c1ccc(NC(=O)[O-])cc1Cl)c1ccccc1 ZINC000739813829 603239605 /nfs/dbraw/zinc/23/96/05/603239605.db2.gz WMJGQBVFTLXRRF-HNNXBMFYSA-N -1 0 348.786 3.547 20 0 EHADRM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)C1 ZINC000740341150 603253233 /nfs/dbraw/zinc/25/32/33/603253233.db2.gz MOGSPZPMKHIPQQ-BRSBDYLESA-N -1 0 348.487 3.584 20 0 EHADRM O=C([O-])N1CCC[C@H]1[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)C1 ZINC000740341356 603253370 /nfs/dbraw/zinc/25/33/70/603253370.db2.gz MOGSPZPMKHIPQQ-TVFCKZIOSA-N -1 0 348.487 3.584 20 0 EHADRM C[C@H](C(=O)Nc1cc(F)cc(F)c1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823712926 603262980 /nfs/dbraw/zinc/26/29/80/603262980.db2.gz LTAQIKYKFRWQFI-ZUZCIYMTSA-N -1 0 334.322 3.548 20 0 EHADRM Cc1cccc2c(CCNC(=O)c3ccc(NC(=O)[O-])cc3)c[nH]c21 ZINC000738310565 603276895 /nfs/dbraw/zinc/27/68/95/603276895.db2.gz HCNPZCANSGQJCE-UHFFFAOYSA-N -1 0 337.379 3.539 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N(C)C2CCN(C(=O)[O-])CC2)cc1 ZINC000738883113 603277120 /nfs/dbraw/zinc/27/71/20/603277120.db2.gz OGZBXSDINZNZNB-ZWKOTPCHSA-N -1 0 344.455 3.514 20 0 EHADRM Cc1cc([C@@H]2CCCN2C(=O)c2ccc(NC(=O)[O-])cc2Cl)on1 ZINC000740080252 603280041 /nfs/dbraw/zinc/28/00/41/603280041.db2.gz MYGOQYJIHPWCAM-ZDUSSCGKSA-N -1 0 349.774 3.704 20 0 EHADRM CC(C)C[C@@H](C(=O)N1CCC[C@@H](CN(C)C(=O)[O-])C1)c1ccccc1 ZINC000738805339 603287556 /nfs/dbraw/zinc/28/75/56/603287556.db2.gz MGSRUNUZHBXISJ-FUHWJXTLSA-N -1 0 346.471 3.665 20 0 EHADRM C[C@@H](C1CC1)N(C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])C1CC1 ZINC000824544762 603300599 /nfs/dbraw/zinc/30/05/99/603300599.db2.gz SLFZWUVAIPLPEF-NSHDSACASA-N -1 0 329.400 3.522 20 0 EHADRM C[C@H](NC(=O)c1ccc(CNC(=O)[O-])o1)c1ccc(C(C)(C)C)cc1 ZINC000825459896 603301000 /nfs/dbraw/zinc/30/10/00/603301000.db2.gz SNKMZAGYUXZNCW-LBPRGKRZSA-N -1 0 344.411 3.836 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)N3CCC4(C3)CCCCC4)ccc21 ZINC000831772965 603304098 /nfs/dbraw/zinc/30/40/98/603304098.db2.gz RFBOLVIARBKOCW-UHFFFAOYSA-N -1 0 343.427 3.915 20 0 EHADRM Cc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)cc1NC(=O)[O-] ZINC000830219825 603305594 /nfs/dbraw/zinc/30/55/94/603305594.db2.gz KNXRSAMMLOORRE-UHFFFAOYSA-N -1 0 342.395 3.802 20 0 EHADRM Cc1cc(-c2ccccc2)ccc1NC(=O)N(C)CCCNC(=O)[O-] ZINC000740048409 603316870 /nfs/dbraw/zinc/31/68/70/603316870.db2.gz LCERLDIXOWLCNS-UHFFFAOYSA-N -1 0 341.411 3.783 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)N2CCC[C@]3(CC=CCC3)C2)c1 ZINC000740676551 603328787 /nfs/dbraw/zinc/32/87/87/603328787.db2.gz QVHPNXJUVLUJFG-LJQANCHMSA-N -1 0 343.427 3.808 20 0 EHADRM Cc1ccc(C(=O)Nc2cccc(OC(F)F)c2)cc1NC(=O)[O-] ZINC000830234044 603340407 /nfs/dbraw/zinc/34/04/07/603340407.db2.gz LBVJOIOLRCCREM-UHFFFAOYSA-N -1 0 336.294 3.939 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N(C)Cc1ccccc1)C(=O)[O-] ZINC000739445311 603352905 /nfs/dbraw/zinc/35/29/05/603352905.db2.gz DUEXFOSJLMCXDW-UHFFFAOYSA-N -1 0 341.411 3.850 20 0 EHADRM C[C@@H](CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)NC(=O)[O-] ZINC000824583396 603361606 /nfs/dbraw/zinc/36/16/06/603361606.db2.gz UDEUDTFYDIWCHT-TVQRCGJNSA-N -1 0 345.226 3.703 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)NCCc2cccc(F)c2)cc1 ZINC000825433947 603378534 /nfs/dbraw/zinc/37/85/34/603378534.db2.gz IYWJSUWSVDHGQO-GFCCVEGCSA-N -1 0 345.374 3.519 20 0 EHADRM Cc1cccc(C)c1NC(=S)NC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000740167236 603378983 /nfs/dbraw/zinc/37/89/83/603378983.db2.gz UIXHUGSFMPUQAP-OAHLLOKOSA-N -1 0 343.452 3.599 20 0 EHADRM COc1ccc(NC(=O)[C@H](C)c2cccc(F)c2)cc1NC(=O)[O-] ZINC000739916264 603394518 /nfs/dbraw/zinc/39/45/18/603394518.db2.gz MVCNULJLXOWAQL-SNVBAGLBSA-N -1 0 332.331 3.666 20 0 EHADRM C[C@H](c1nc(Cc2cccs2)no1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000825645312 603408406 /nfs/dbraw/zinc/40/84/06/603408406.db2.gz NVKINCHFUQRNSD-NHYWBVRUSA-N -1 0 343.408 3.834 20 0 EHADRM C[C@@H](c1nc(-c2ccc(O)cc2)no1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000825645664 603409158 /nfs/dbraw/zinc/40/91/58/603409158.db2.gz SWGVQDXAJRMZNK-ABAIWWIYSA-N -1 0 339.351 3.555 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc([C@@H]2C[C@]23CCc2ccccc23)n1 ZINC000824217609 603412610 /nfs/dbraw/zinc/41/26/10/603412610.db2.gz HCSNRMBGDRLVHI-DOXZYTNZSA-N -1 0 341.411 3.796 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc([C@H]2C[C@]23CCc2ccccc23)n1 ZINC000824217610 603412861 /nfs/dbraw/zinc/41/28/61/603412861.db2.gz HCSNRMBGDRLVHI-VCBZYWHSSA-N -1 0 341.411 3.796 20 0 EHADRM O=C([O-])NC1(c2noc([C@@H]3C[C@@H]3c3cc(F)ccc3F)n2)CCCC1 ZINC000832228532 603416415 /nfs/dbraw/zinc/41/64/15/603416415.db2.gz RGOZRNMWADEFQJ-ZYHUDNBSSA-N -1 0 349.337 3.656 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NC[C@H]1CC=CCC1 ZINC000829183180 603418185 /nfs/dbraw/zinc/41/81/85/603418185.db2.gz WZMGTMXXONURLH-JTQLQIEISA-N -1 0 338.791 3.525 20 0 EHADRM C[C@H](CCc1ccccc1F)c1nc(C2(NC(=O)[O-])CCC2)no1 ZINC000824815924 603418523 /nfs/dbraw/zinc/41/85/23/603418523.db2.gz CJMKTKSMLVWOHJ-LLVKDONJSA-N -1 0 333.363 3.592 20 0 EHADRM Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)cc1NC(=O)[O-] ZINC000830204114 603420656 /nfs/dbraw/zinc/42/06/56/603420656.db2.gz CUQZDONLEPHQEW-GOEBONIOSA-N -1 0 328.343 3.510 20 0 EHADRM CC(C)c1nc(C(=O)N2CCCN(C(=O)[O-])c3ccccc32)cs1 ZINC000738880936 603430011 /nfs/dbraw/zinc/43/00/11/603430011.db2.gz XZUDPOKGMJUJSP-UHFFFAOYSA-N -1 0 345.424 3.801 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)N1CCCN(C(=O)[O-])c2ccccc21 ZINC000739280307 603430667 /nfs/dbraw/zinc/43/06/67/603430667.db2.gz UZGLHBKCHHRZPE-QGZVFWFLSA-N -1 0 346.427 3.646 20 0 EHADRM CC(C)[C@@H](CC1CCCCC1)C(=O)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738773347 603431339 /nfs/dbraw/zinc/43/13/39/603431339.db2.gz JRBMDXNRNIQWJO-IAGOWNOFSA-N -1 0 338.492 3.687 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)N2CCCC[C@@H]2c2nccs2)cc1 ZINC000740702259 603431438 /nfs/dbraw/zinc/43/14/38/603431438.db2.gz WVLKHAHVDKSBLP-CQSZACIVSA-N -1 0 345.424 3.529 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736904094 603434465 /nfs/dbraw/zinc/43/44/65/603434465.db2.gz PKMNHHSTRVQUSW-KRWDZBQOSA-N -1 0 326.396 3.870 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000829867712 603476926 /nfs/dbraw/zinc/47/69/26/603476926.db2.gz ROUYJKMXJYJESU-AWEZNQCLSA-N -1 0 348.443 3.639 20 0 EHADRM O=C([O-])N[C@H]1CC[C@@H](C(=O)Nc2ccc3c(c2)oc2ccccc23)C1 ZINC000832289560 603478681 /nfs/dbraw/zinc/47/86/81/603478681.db2.gz ZASLPGQAIUYPRI-NEPJUHHUSA-N -1 0 338.363 3.961 20 0 EHADRM CN(Cc1ccccc1NC(=O)C/C=C\c1ccc(F)cc1)C(=O)[O-] ZINC000828394561 603480499 /nfs/dbraw/zinc/48/04/99/603480499.db2.gz XTMPILNHWVQFNC-PLNGDYQASA-N -1 0 342.370 3.978 20 0 EHADRM Cc1nc(COC(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)sc1C ZINC000830760750 603484814 /nfs/dbraw/zinc/48/48/14/603484814.db2.gz IYLSFICVEDRIJY-CQSZACIVSA-N -1 0 348.424 3.592 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)Oc1cccc2[nH]ccc21)c1ccccc1 ZINC000832118819 603487603 /nfs/dbraw/zinc/48/76/03/603487603.db2.gz CVXBBNCUFLDVPU-OAHLLOKOSA-N -1 0 338.363 3.862 20 0 EHADRM CCN(CC1CCN(Cc2csc(-c3ccoc3)n2)CC1)C(=O)[O-] ZINC000827099482 603514456 /nfs/dbraw/zinc/51/44/56/603514456.db2.gz OLHLCCLTXBXPFU-UHFFFAOYSA-N -1 0 349.456 3.615 20 0 EHADRM CC[C@@H](NC(=O)c1cc(Cl)c(NC(=O)[O-])cc1OC)C(C)C ZINC000826612719 603532681 /nfs/dbraw/zinc/53/26/81/603532681.db2.gz AYHJSQBUYUETOX-LLVKDONJSA-N -1 0 328.796 3.603 20 0 EHADRM CC(C)N(C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)c1ccc(F)cc1Cl ZINC000824323480 603535068 /nfs/dbraw/zinc/53/50/68/603535068.db2.gz DOTYZPSQLGPOFU-ZYHUDNBSSA-N -1 0 342.798 3.657 20 0 EHADRM C[C@@H](Oc1ccccc1)c1nc(-c2cccc(NC(=O)[O-])c2)no1 ZINC000825616432 603644650 /nfs/dbraw/zinc/64/46/50/603644650.db2.gz CWXRMJLEJLHIJZ-LLVKDONJSA-N -1 0 325.324 3.967 20 0 EHADRM CCC1(NC(=O)c2cc(Cl)c(NC(=O)[O-])cc2OC)CCC1 ZINC000826653616 603746917 /nfs/dbraw/zinc/74/69/17/603746917.db2.gz DMDVRIUHEISHSQ-UHFFFAOYSA-N -1 0 326.780 3.501 20 0 EHADRM Cc1c(F)cccc1NC(=O)[C@@H](NC(=O)[O-])c1cccc(Cl)c1 ZINC000829871678 603776628 /nfs/dbraw/zinc/77/66/28/603776628.db2.gz HZQZNUZYRWHYAR-AWEZNQCLSA-N -1 0 336.750 3.735 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)Nc1ccccc1CCC(F)(F)F ZINC000832338309 603805872 /nfs/dbraw/zinc/80/58/72/603805872.db2.gz GVKUCKQQACUWAR-DGCLKSJQSA-N -1 0 344.333 3.556 20 0 EHADRM CCc1ccc(CC)c(NC(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1 ZINC000827585048 603814530 /nfs/dbraw/zinc/81/45/30/603814530.db2.gz YQOHGJVUSLTXOP-MQVJKMGUSA-N -1 0 345.443 3.606 20 0 EHADRM O=C(CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])N[C@@H](c1ccccc1)C1CC1 ZINC000831297758 603830127 /nfs/dbraw/zinc/83/01/27/603830127.db2.gz ANUGFRXDIIESKE-UYCCBAROSA-N -1 0 342.439 3.565 20 0 EHADRM O=C([O-])N1CCc2cccc(CNc3ccc4c(c3)OCCCO4)c21 ZINC000832087487 603853770 /nfs/dbraw/zinc/85/37/70/603853770.db2.gz VUNSXBBAEPAJBG-UHFFFAOYSA-N -1 0 340.379 3.501 20 0 EHADRM C[C@H](CN(C)C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccccc1 ZINC000824819153 603875320 /nfs/dbraw/zinc/87/53/20/603875320.db2.gz YHGGRTUXFTVSBI-DUZACMNTSA-N -1 0 344.455 3.560 20 0 EHADRM CC(C)[C@@H]1CCCN(C(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])CC1 ZINC000824156030 603895731 /nfs/dbraw/zinc/89/57/31/603895731.db2.gz CXRGKLWOVAZVKO-IFFAKLHKSA-N -1 0 336.476 3.582 20 0 EHADRM CCC[C@H](NC(=O)[O-])C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000826759042 603896524 /nfs/dbraw/zinc/89/65/24/603896524.db2.gz VTBPOJDNGCXGST-LBPRGKRZSA-N -1 0 332.322 3.556 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])o1 ZINC000830283043 603898470 /nfs/dbraw/zinc/89/84/70/603898470.db2.gz VFDZZRYMOKEZPP-UYTSQGDYSA-N -1 0 346.427 3.563 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)Nc2ccc(Cl)cn2)cc1 ZINC000825442365 603903322 /nfs/dbraw/zinc/90/33/22/603903322.db2.gz DZHUOFDSOOFHFY-SECBINFHSA-N -1 0 334.763 3.708 20 0 EHADRM C[C@H]1CN(C(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])[C@@H]1c1ccccc1 ZINC000825976684 603934900 /nfs/dbraw/zinc/93/49/00/603934900.db2.gz XHPFHIZLKFICII-QPZKPEOPSA-N -1 0 342.439 3.517 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)c1ccnc2ccccc21 ZINC000831797552 603945066 /nfs/dbraw/zinc/94/50/66/603945066.db2.gz KMNHICFXCCTDRJ-UHFFFAOYSA-N -1 0 333.347 3.528 20 0 EHADRM Cc1ccc2c(CC(=O)Nc3cccc4c3CCN4C(=O)[O-])c[nH]c2c1 ZINC000830439186 603952844 /nfs/dbraw/zinc/95/28/44/603952844.db2.gz NTNORWADWHKWHV-UHFFFAOYSA-N -1 0 349.390 3.698 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)Cc1cccc(Cl)c1 ZINC000831558043 603955772 /nfs/dbraw/zinc/95/57/72/603955772.db2.gz MRUFSOLEUIYWQZ-UHFFFAOYSA-N -1 0 330.771 3.562 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)CCc1c[nH]c2ccccc12 ZINC000831436542 603957452 /nfs/dbraw/zinc/95/74/52/603957452.db2.gz LJSSKMACBAEGII-UHFFFAOYSA-N -1 0 349.390 3.780 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)Nc2ccccc2SC(F)(F)F)C1 ZINC000832296632 603964750 /nfs/dbraw/zinc/96/47/50/603964750.db2.gz LNLJWGNSMQRSQF-RKDXNWHRSA-N -1 0 348.346 3.673 20 0 EHADRM Cc1ccc(F)cc1NC(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000830333493 603968091 /nfs/dbraw/zinc/96/80/91/603968091.db2.gz YANQIHWSSUJZEF-UHFFFAOYSA-N -1 0 329.331 3.819 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)N1CCC2(CCCC2)CC1 ZINC000831793075 603985262 /nfs/dbraw/zinc/98/52/62/603985262.db2.gz GFDHUNUZJPUAID-UHFFFAOYSA-N -1 0 343.427 3.915 20 0 EHADRM CCCC[C@H](CNC(=O)[O-])NC(=O)Nc1cccc(C(F)F)c1 ZINC000826799579 603985766 /nfs/dbraw/zinc/98/57/66/603985766.db2.gz ATHNDRDILVCRFF-GFCCVEGCSA-N -1 0 329.347 3.572 20 0 EHADRM Cc1nc(CCCC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)cs1 ZINC000830741509 603989870 /nfs/dbraw/zinc/98/98/70/603989870.db2.gz JAYMRFVHERUJKE-LLVKDONJSA-N -1 0 347.440 3.742 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000825861384 603994236 /nfs/dbraw/zinc/99/42/36/603994236.db2.gz STMBVCQWCMRVST-IOASZLSFSA-N -1 0 343.427 3.912 20 0 EHADRM CN(Cc1cccc(NC(=O)/C=C\SCc2ccco2)c1)C(=O)[O-] ZINC000828375473 604011649 /nfs/dbraw/zinc/01/16/49/604011649.db2.gz ITZYTVIMHKOCOU-CLFYSBASSA-N -1 0 346.408 3.775 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)/C=C\SCc2ccco2)cc1 ZINC000825418540 604043745 /nfs/dbraw/zinc/04/37/45/604043745.db2.gz USZAQUBJTMLCLL-CUZBXDDWSA-N -1 0 346.408 3.994 20 0 EHADRM CSc1cccc(NC(=O)N(C)CC[C@@H](NC(=O)[O-])C(C)C)c1 ZINC000829772207 604119990 /nfs/dbraw/zinc/11/99/90/604119990.db2.gz PVZGCMMLVPAVPE-CQSZACIVSA-N -1 0 339.461 3.555 20 0 EHADRM COc1cccc(C2(NC(=O)c3ccc(C)c(NC(=O)[O-])c3)CC2)c1 ZINC000829550985 604133879 /nfs/dbraw/zinc/13/38/79/604133879.db2.gz WEUWVZUCCDMXNK-UHFFFAOYSA-N -1 0 340.379 3.513 20 0 EHADRM CN(Cc1cccc(NC(=O)N2CCC[C@H]3CCC[C@H]32)c1)C(=O)[O-] ZINC000828375493 604137734 /nfs/dbraw/zinc/13/77/34/604137734.db2.gz JVGKCAAKESZWSM-GDBMZVCRSA-N -1 0 331.416 3.593 20 0 EHADRM Cc1cc2cc(C(=O)N3CCC[C@@H]([C@H](C)NC(=O)[O-])C3)oc2cc1C ZINC000830144212 604183220 /nfs/dbraw/zinc/18/32/20/604183220.db2.gz TXDUWBLZLRLWCQ-UONOGXRCSA-N -1 0 344.411 3.558 20 0 EHADRM Cc1ccc(CN(C)C(=O)NCCc2ccc(NC(=O)[O-])cc2)s1 ZINC000738593908 604192898 /nfs/dbraw/zinc/19/28/98/604192898.db2.gz GGHQNOZADGPGKC-UHFFFAOYSA-N -1 0 347.440 3.531 20 0 EHADRM Cc1ccc(CCCCC(=O)N2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)cc1 ZINC000830296068 604202244 /nfs/dbraw/zinc/20/22/44/604202244.db2.gz FXLUYAFHTRITAN-SJLPKXTDSA-N -1 0 346.471 3.603 20 0 EHADRM CC(=O)CCc1ccc(OC(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1 ZINC000823532391 604216716 /nfs/dbraw/zinc/21/67/16/604216716.db2.gz IYQDPYCZSUXMKZ-UHFFFAOYSA-N -1 0 341.363 3.826 20 0 EHADRM Cc1ccc(NC(=O)c2cnc(-c3ccccc3)nc2C)cc1C(=O)[O-] ZINC000345982981 604263153 /nfs/dbraw/zinc/26/31/53/604263153.db2.gz DVIOBNFTCJBMSR-UHFFFAOYSA-N -1 0 347.374 3.711 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000832844426 604277413 /nfs/dbraw/zinc/27/74/13/604277413.db2.gz BXSILWHZKWAUDU-LBPRGKRZSA-N -1 0 344.411 3.608 20 0 EHADRM Cc1cccc(NC(=S)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)c1 ZINC000830523022 604285331 /nfs/dbraw/zinc/28/53/31/604285331.db2.gz WUOOASOTHJBFCS-CYBMUJFWSA-N -1 0 343.452 3.810 20 0 EHADRM CCCOc1cc(C)ccc1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000829527639 604286267 /nfs/dbraw/zinc/28/62/67/604286267.db2.gz JGDMXHPUECRAQP-UHFFFAOYSA-N -1 0 331.343 3.873 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc(C(=O)[O-])c(F)c2)o1 ZINC000832929437 604288421 /nfs/dbraw/zinc/28/84/21/604288421.db2.gz LWLBRQKMNFMASC-HNNXBMFYSA-N -1 0 331.343 3.793 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)c1 ZINC000392608791 604292421 /nfs/dbraw/zinc/29/24/21/604292421.db2.gz UQHHKLKRHULZEC-SNVBAGLBSA-N -1 0 330.384 3.759 20 0 EHADRM C/C=C(/C=C/C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F)CC ZINC000828542831 604296752 /nfs/dbraw/zinc/29/67/52/604296752.db2.gz NTETZNXOBVMVFB-PPIIYGQDSA-N -1 0 337.366 3.681 20 0 EHADRM CCN(C(=O)c1ccc(C(=O)[O-])c(F)c1)C12CC3CC(CC(C3)C1)C2 ZINC000829602403 604312954 /nfs/dbraw/zinc/31/29/54/604312954.db2.gz LVFKUPKSZXNLDT-UHFFFAOYSA-N -1 0 345.414 3.955 20 0 EHADRM O=C([O-])c1csc(NC(=O)CNc2cccc(C(F)(F)F)c2)c1 ZINC000833110291 604317328 /nfs/dbraw/zinc/31/73/28/604317328.db2.gz GTUYSIAAMZIGHV-UHFFFAOYSA-N -1 0 344.314 3.516 20 0 EHADRM CC(C)(NC(=O)c1ccc(C(=O)[O-])c(F)c1)c1cccc(Cl)c1 ZINC000826627288 604319623 /nfs/dbraw/zinc/31/96/23/604319623.db2.gz UAWXHNJNTJHBFY-UHFFFAOYSA-N -1 0 335.762 3.842 20 0 EHADRM CCCOc1cc(F)ccc1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000829528302 604319937 /nfs/dbraw/zinc/31/99/37/604319937.db2.gz UJTWYDDPLLQNBE-UHFFFAOYSA-N -1 0 335.306 3.704 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)N2CCc3c(F)cc(F)cc3C2)c1 ZINC000833290044 604326626 /nfs/dbraw/zinc/32/66/26/604326626.db2.gz WBKBUGSYGYCQNH-UHFFFAOYSA-N -1 0 347.321 3.645 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N2CCC(C(F)F)CC2)cc1 ZINC000825427129 604345751 /nfs/dbraw/zinc/34/57/51/604345751.db2.gz PHZUMDDULLBYFT-SNVBAGLBSA-N -1 0 341.358 3.524 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)C(F)(F)c1ccccc1 ZINC000262172174 604371642 /nfs/dbraw/zinc/37/16/42/604371642.db2.gz PCFXFSRYNQHPTP-UHFFFAOYSA-N -1 0 347.361 3.672 20 0 EHADRM CCc1ccc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])s1 ZINC000830232229 604373734 /nfs/dbraw/zinc/37/37/34/604373734.db2.gz KBTZQYDEPGNRSJ-HNNXBMFYSA-N -1 0 331.437 3.892 20 0 EHADRM C[C@H](C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])c1cccc(F)c1 ZINC000825994844 604376296 /nfs/dbraw/zinc/37/62/96/604376296.db2.gz KRUUUXKMAIULHK-SUMWQHHRSA-N -1 0 343.398 3.898 20 0 EHADRM O=C([O-])c1sccc1NC(=O)c1ccc(F)cc1C(F)(F)F ZINC000833161347 604377108 /nfs/dbraw/zinc/37/71/08/604377108.db2.gz JIXOYISIQAVNMA-UHFFFAOYSA-N -1 0 333.262 3.857 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N(c2ccccn2)C2CCCC2)cc1 ZINC000833313586 604393495 /nfs/dbraw/zinc/39/34/95/604393495.db2.gz ZTSYTKGDJDSZBY-UHFFFAOYSA-N -1 0 338.407 3.688 20 0 EHADRM O=C([O-])[C@H](NCc1ccn(C2CCCC2)n1)c1cccc(Cl)c1 ZINC000833170115 604401309 /nfs/dbraw/zinc/40/13/09/604401309.db2.gz PFFWYBRGCFTMLI-MRXNPFEDSA-N -1 0 333.819 3.567 20 0 EHADRM O=C([O-])NCc1cccc(OCc2ncc(-c3cccs3)o2)c1 ZINC000832729663 604440863 /nfs/dbraw/zinc/44/08/63/604440863.db2.gz IBIZKTOSAPSABG-UHFFFAOYSA-N -1 0 330.365 3.750 20 0 EHADRM Cc1ccc2nc(CNc3ccc4c(c3)CCCN4C(=O)[O-])cn2c1 ZINC000830452908 604441578 /nfs/dbraw/zinc/44/15/78/604441578.db2.gz BWYXLZMJXFKLPH-UHFFFAOYSA-N -1 0 336.395 3.685 20 0 EHADRM CC[C@H](C)N1C(=O)N[C@H](c2cscc2Cl)C(C(=O)[O-])=C1C ZINC000828753571 604463299 /nfs/dbraw/zinc/46/32/99/604463299.db2.gz RJNAIEDESDHJFA-JVXZTZIISA-N -1 0 328.821 3.625 20 0 EHADRM O=C([O-])c1csc(NC(=O)N[C@@H](c2ccco2)c2ccccc2)c1 ZINC000833149899 604486624 /nfs/dbraw/zinc/48/66/24/604486624.db2.gz BNVHKDFFUZILSD-OAHLLOKOSA-N -1 0 342.376 3.950 20 0 EHADRM O=C([O-])c1csc(NC(=O)N2CCC(Cc3ccccc3)CC2)c1 ZINC000833342024 604500837 /nfs/dbraw/zinc/50/08/37/604500837.db2.gz CUPNSJPRKXVPMW-UHFFFAOYSA-N -1 0 344.436 3.933 20 0 EHADRM COc1ccc2c(c1)CCC[C@H]2NC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000832493446 604507480 /nfs/dbraw/zinc/50/74/80/604507480.db2.gz CXWVZEZJUPHUSC-CQSZACIVSA-N -1 0 346.408 3.654 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(C)c2Cl)cc1 ZINC000683297563 604522216 /nfs/dbraw/zinc/52/22/16/604522216.db2.gz RYXURFLIGPLHSD-HNNXBMFYSA-N -1 0 347.798 3.603 20 0 EHADRM O=C([O-])c1csc(NC(=O)N2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000833342728 604522938 /nfs/dbraw/zinc/52/29/38/604522938.db2.gz PMMUYPCVTAZNGG-AWEZNQCLSA-N -1 0 345.424 3.555 20 0 EHADRM Cc1cc(F)ccc1NC(=O)NCc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000830069001 604527332 /nfs/dbraw/zinc/52/73/32/604527332.db2.gz SDTLJYNYZDLQTP-GFCCVEGCSA-N -1 0 345.374 3.784 20 0 EHADRM CCCN(CC(C)C)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000829481898 604527595 /nfs/dbraw/zinc/52/75/95/604527595.db2.gz GFYMZUTYLRXVCF-MRXNPFEDSA-N -1 0 334.460 3.916 20 0 EHADRM O=C([O-])Nc1cc(C(=O)OCc2ccn(C3CCCC3)n2)ccc1F ZINC000832820558 604527657 /nfs/dbraw/zinc/52/76/57/604527657.db2.gz GGDGYMZXDKNCHM-UHFFFAOYSA-N -1 0 347.346 3.584 20 0 EHADRM CC[C@@H](C)CN(CC)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000828747652 604529794 /nfs/dbraw/zinc/52/97/94/604529794.db2.gz RVGGPKDYBUTYOQ-GDBMZVCRSA-N -1 0 334.460 3.916 20 0 EHADRM CC(C)[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000833466383 604536590 /nfs/dbraw/zinc/53/65/90/604536590.db2.gz YBDLTHRTUSRJLE-QGZVFWFLSA-N -1 0 329.371 3.580 20 0 EHADRM CC(C)[C@H]1c2ccccc2CCN1C(=O)C1CCC(NC(=O)[O-])CC1 ZINC000824164542 604544683 /nfs/dbraw/zinc/54/46/83/604544683.db2.gz LXJWUWJQOARNLM-HTWSVDAQSA-N -1 0 344.455 3.595 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2cc(Cl)ccc2F)oc1C(=O)[O-] ZINC000832877339 604552965 /nfs/dbraw/zinc/55/29/65/604552965.db2.gz XMNZAHIJKQVPOE-MRVPVSSYSA-N -1 0 326.707 3.997 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2ccc(C(F)(F)F)nc2)oc1C(=O)[O-] ZINC000832877610 604557572 /nfs/dbraw/zinc/55/75/72/604557572.db2.gz ZFDMTYIFNUJYSE-MRVPVSSYSA-N -1 0 343.257 3.618 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2oc3c(c2C)C(=O)CCC3)oc1C(=O)[O-] ZINC000832876876 604565259 /nfs/dbraw/zinc/56/52/59/604565259.db2.gz YQEYPJPJTBHNKI-SNVBAGLBSA-N -1 0 346.335 3.625 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2nccc3ccccc32)oc1C(=O)[O-] ZINC000832873002 604575312 /nfs/dbraw/zinc/57/53/12/604575312.db2.gz DMJUHHWLRPTCNT-NSHDSACASA-N -1 0 325.320 3.752 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)C1(Sc2ccccc2)CCCC1 ZINC000263007028 604580296 /nfs/dbraw/zinc/58/02/96/604580296.db2.gz RSUCFKKBNULXDX-AWEZNQCLSA-N -1 0 333.453 3.557 20 0 EHADRM CCN(C)[C@H](C(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1)c1ccccc1 ZINC000829608169 604588749 /nfs/dbraw/zinc/58/87/49/604588749.db2.gz FPBKAQDFRUXHKF-CJNGLKHVSA-N -1 0 345.395 3.583 20 0 EHADRM CCN(C)[C@H](C(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1)c1ccccc1 ZINC000829608168 604588850 /nfs/dbraw/zinc/58/88/50/604588850.db2.gz FPBKAQDFRUXHKF-BBRMVZONSA-N -1 0 345.395 3.583 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2c(F)cc(F)cc2F)oc1C(=O)[O-] ZINC000832872839 604592247 /nfs/dbraw/zinc/59/22/47/604592247.db2.gz WVPGAHMDNOISQF-ZETCQYMHSA-N -1 0 328.242 3.622 20 0 EHADRM CCCOc1ccc(C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)cc1N ZINC000829527700 604597368 /nfs/dbraw/zinc/59/73/68/604597368.db2.gz KWUDXUZVLXCQLZ-LLVKDONJSA-N -1 0 347.367 3.575 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)c1ccccc1Oc1ccccc1 ZINC000262921395 604597835 /nfs/dbraw/zinc/59/78/35/604597835.db2.gz KMJRMMGYVMVPFT-AWEZNQCLSA-N -1 0 325.364 3.558 20 0 EHADRM CC[C@H](C)[C@H](C)N(C(=O)NCCc1cccc(C(=O)[O-])c1)C1CC1 ZINC000833637366 604601198 /nfs/dbraw/zinc/60/11/98/604601198.db2.gz DIBFSBKDYKOMSI-KBPBESRZSA-N -1 0 332.444 3.536 20 0 EHADRM CC(C)[C@H](C(=O)Oc1ccc(CC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000833466140 604604916 /nfs/dbraw/zinc/60/49/16/604604916.db2.gz TWXQFJZPNZLYJT-SFHVURJKSA-N -1 0 330.355 3.798 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2ccnn2C2CCCC2)oc1C(=O)[O-] ZINC000832873933 604606203 /nfs/dbraw/zinc/60/62/03/604606203.db2.gz GLOULXGSHXRINP-LLVKDONJSA-N -1 0 332.356 3.516 20 0 EHADRM CCCN(CC(C)C)C(=O)NCc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000826903579 604613799 /nfs/dbraw/zinc/61/37/99/604613799.db2.gz KWZKQOXXYHQGLA-CQSZACIVSA-N -1 0 335.448 3.593 20 0 EHADRM CS[C@H]1CCCCN(C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)C1 ZINC000832747712 604623914 /nfs/dbraw/zinc/62/39/14/604623914.db2.gz JEXCNCDMPRBOLL-AWEZNQCLSA-N -1 0 337.445 3.550 20 0 EHADRM COCCCOc1cccc(CNc2ccc(N(C)C(=O)[O-])cc2)c1 ZINC000831701126 604646142 /nfs/dbraw/zinc/64/61/42/604646142.db2.gz ULYSCNNJVVRACV-UHFFFAOYSA-N -1 0 344.411 3.828 20 0 EHADRM O=C([O-])Nc1cccc(OCc2nc(-c3ccc(F)c(F)c3)no2)c1 ZINC000833289337 604649925 /nfs/dbraw/zinc/64/99/25/604649925.db2.gz MASSYVICHJTDAT-UHFFFAOYSA-N -1 0 347.277 3.684 20 0 EHADRM C[C@@H](CC(=O)N1Cc2ccccc2[C@H](C)C1)C1CCN(C(=O)[O-])CC1 ZINC000825975448 604654120 /nfs/dbraw/zinc/65/41/20/604654120.db2.gz OVWNGTTVTWHOIT-LSDHHAIUSA-N -1 0 344.455 3.549 20 0 EHADRM Cc1cc(CNc2ccc3c(c2)CCCO3)cc(C)c1OCC(=O)[O-] ZINC000832886912 604658777 /nfs/dbraw/zinc/65/87/77/604658777.db2.gz YWKUXXDOGWZBDN-UHFFFAOYSA-N -1 0 341.407 3.704 20 0 EHADRM CCS[C@@H](C)c1noc(CNc2cc(NC(=O)[O-])ccc2F)n1 ZINC000827497133 604659824 /nfs/dbraw/zinc/65/98/24/604659824.db2.gz VUAXJTBFXIZKFS-QMMMGPOBSA-N -1 0 340.380 3.725 20 0 EHADRM CC(C)N(Cc1ccccc1)C(=O)CCc1ccccc1C(=O)[O-] ZINC000538574320 604676304 /nfs/dbraw/zinc/67/63/04/604676304.db2.gz XKILEXGHJFMCHV-UHFFFAOYSA-N -1 0 325.408 3.755 20 0 EHADRM C[C@H](OC(=O)Cc1ccc(F)cc1Cl)c1ccc(C(=O)[O-])o1 ZINC000827838894 604691574 /nfs/dbraw/zinc/69/15/74/604691574.db2.gz LTOHZDMGIGQQGV-QMMMGPOBSA-N -1 0 326.707 3.617 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)c2ccc(F)c(Cl)c2)c2ccccc21 ZINC000391218457 604696992 /nfs/dbraw/zinc/69/69/92/604696992.db2.gz XTHXMHGHRDDBSC-NSHDSACASA-N -1 0 333.746 3.698 20 0 EHADRM CC(C)c1ccsc1C(=O)OCC(=O)c1cccc(C(=O)[O-])c1 ZINC000833511357 604699495 /nfs/dbraw/zinc/69/94/95/604699495.db2.gz NPNFAPGPTGAAGK-UHFFFAOYSA-N -1 0 332.377 3.609 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1ccc(F)c(Cl)c1)c1ccccc1 ZINC000826044100 604703883 /nfs/dbraw/zinc/70/38/83/604703883.db2.gz CBJRXDBNPSPCSN-BMIGLBTASA-N -1 0 335.762 3.671 20 0 EHADRM CN(C(=O)CCc1ccc(-c2ccccc2)o1)C1(C(=O)[O-])CCCC1 ZINC000830472752 604708428 /nfs/dbraw/zinc/70/84/28/604708428.db2.gz ZAHUKSBZBVKKGI-UHFFFAOYSA-N -1 0 341.407 3.735 20 0 EHADRM CC(C)c1csc([C@@H]2CCCN(c3cccc(C(=O)[O-])n3)C2)n1 ZINC000263464566 604713829 /nfs/dbraw/zinc/71/38/29/604713829.db2.gz CKDVUNFBIVTENE-GFCCVEGCSA-N -1 0 331.441 3.744 20 0 EHADRM C[C@@H](Nc1cccc(C(=O)[O-])n1)c1ccc(OCC2CC2)c(F)c1 ZINC000833525660 604716411 /nfs/dbraw/zinc/71/64/11/604716411.db2.gz QTHJVCZQRUPDQR-LLVKDONJSA-N -1 0 330.359 3.881 20 0 EHADRM CCN(Cc1ccccc1NC(=O)c1cccc(C(C)=O)c1)C(=O)[O-] ZINC000827187139 604720340 /nfs/dbraw/zinc/72/03/40/604720340.db2.gz QZCSUDVRCRLVOZ-UHFFFAOYSA-N -1 0 340.379 3.641 20 0 EHADRM C/C(=C/c1cccc(Cl)c1)C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000833386756 604725603 /nfs/dbraw/zinc/72/56/03/604725603.db2.gz RTQAUQOQUZPSPI-GDAGCXPBSA-N -1 0 335.812 3.747 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N(C)C1(C(=O)[O-])CCCC1 ZINC000832766734 604726181 /nfs/dbraw/zinc/72/61/81/604726181.db2.gz KGZQHWFHQRSALK-UHFFFAOYSA-N -1 0 347.436 3.765 20 0 EHADRM Cc1nc(C2CCCC2)sc1C(=O)N(C)C1(C(=O)[O-])CCCC1 ZINC000832995050 604729686 /nfs/dbraw/zinc/72/96/86/604729686.db2.gz AGISXZSRRNKXNF-UHFFFAOYSA-N -1 0 336.457 3.579 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)NCCCc2cccs2)cc1 ZINC000833685658 604731189 /nfs/dbraw/zinc/73/11/89/604731189.db2.gz PBBUUPFHBAJVRS-UHFFFAOYSA-N -1 0 333.413 3.617 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)NC1(c2ccc(Cl)cc2)CC1 ZINC000679093087 604743619 /nfs/dbraw/zinc/74/36/19/604743619.db2.gz ARMMQQZLCHQPJC-UHFFFAOYSA-N -1 0 343.810 3.776 20 0 EHADRM Cc1ccc(Nc2ccccc2C(=O)N2CCC[C@@H]2CC(=O)[O-])cc1 ZINC000563789735 604751195 /nfs/dbraw/zinc/75/11/95/604751195.db2.gz RKDGUHXAUGMEIY-MRXNPFEDSA-N -1 0 338.407 3.818 20 0 EHADRM Cc1ccc(-n2c(SCCCC(=O)[O-])nnc2-c2ccco2)cc1 ZINC000832910194 604753659 /nfs/dbraw/zinc/75/36/59/604753659.db2.gz SGECSLZFRYTNOT-UHFFFAOYSA-N -1 0 343.408 3.793 20 0 EHADRM O=C([O-])CCCSc1nnc(-c2ccncc2)n1C1CCCCC1 ZINC000821524712 604754644 /nfs/dbraw/zinc/75/46/44/604754644.db2.gz IJKDPLYRCDAYAW-UHFFFAOYSA-N -1 0 346.456 3.802 20 0 EHADRM COc1cc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])ccc1Cl ZINC000190859255 604768408 /nfs/dbraw/zinc/76/84/08/604768408.db2.gz ZIQPQYOVRAFDQY-ZBEGNZNMSA-N -1 0 347.798 3.540 20 0 EHADRM O=C([O-])c1cccc(NC2CCN(C(=O)C3CCCCCC3)CC2)c1 ZINC000833329415 604781772 /nfs/dbraw/zinc/78/17/72/604781772.db2.gz BTVUMLLWNVEAGU-UHFFFAOYSA-N -1 0 344.455 3.758 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000833414966 604790287 /nfs/dbraw/zinc/79/02/87/604790287.db2.gz UAMYLXSFFXBHKO-AWEZNQCLSA-N -1 0 339.382 3.780 20 0 EHADRM C[C@@H](OC(=O)CCNC(=O)[O-])c1ccc(Cl)c(C(F)(F)F)c1 ZINC000833531705 604791067 /nfs/dbraw/zinc/79/10/67/604791067.db2.gz YXGSXAATOQJZBS-SSDOTTSWSA-N -1 0 339.697 3.621 20 0 EHADRM COC1CCC(CC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])CC1 ZINC000833719883 604791666 /nfs/dbraw/zinc/79/16/66/604791666.db2.gz VNBYAQJAXOPOJL-JFUPDXTOSA-N -1 0 347.455 3.550 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CCSc3c(F)cccc32)cc1F ZINC000833131356 604806369 /nfs/dbraw/zinc/80/63/69/604806369.db2.gz YENCPJQZZXHMLY-CQSZACIVSA-N -1 0 349.358 3.630 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCc2cccc(Cl)c2Cl)cc1F ZINC000833146462 604817812 /nfs/dbraw/zinc/81/78/12/604817812.db2.gz JCFWQQFAYBZKGX-UHFFFAOYSA-N -1 0 342.153 3.761 20 0 EHADRM C[C@@H](CSCc1ccccc1)C(=O)Nc1sccc1C(=O)[O-] ZINC000827581786 604820639 /nfs/dbraw/zinc/82/06/39/604820639.db2.gz SBXLKIUTTYUMCA-NSHDSACASA-N -1 0 335.450 3.954 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCC2(c3ccc(Cl)cc3)CC2)cc1F ZINC000833139043 604820658 /nfs/dbraw/zinc/82/06/58/604820658.db2.gz IQFAHWHZLSNETP-UHFFFAOYSA-N -1 0 347.773 3.639 20 0 EHADRM C[C@H](CSCc1ccccc1)C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000827581564 604822487 /nfs/dbraw/zinc/82/24/87/604822487.db2.gz NWLIURXDSIPOFA-DOMZBBRYSA-N -1 0 349.477 3.560 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)c1nc2ccccc2s1 ZINC000827694757 604822931 /nfs/dbraw/zinc/82/29/31/604822931.db2.gz KBWNDFHSGXUZQD-SECBINFHSA-N -1 0 344.367 3.625 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(CC(F)(F)F)cc2)cc1F ZINC000833158346 604825548 /nfs/dbraw/zinc/82/55/48/604825548.db2.gz UEUDMDOLCFBAQF-UHFFFAOYSA-N -1 0 341.260 3.881 20 0 EHADRM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828151364 604828009 /nfs/dbraw/zinc/82/80/09/604828009.db2.gz WEIMCJDHKZNBAS-UKRRQHHQSA-N -1 0 341.382 3.617 20 0 EHADRM CC1(C)CN(C(=O)CCc2ccccc2C(=O)[O-])Cc2ccccc21 ZINC000833560377 604836838 /nfs/dbraw/zinc/83/68/38/604836838.db2.gz RQCDFPJNLRQLBN-UHFFFAOYSA-N -1 0 337.419 3.637 20 0 EHADRM CCn1c2ccc(Cl)cc2nc1NC(=O)C1CCC(C(=O)[O-])CC1 ZINC000833682469 604839840 /nfs/dbraw/zinc/83/98/40/604839840.db2.gz AVRNTLNGSGAOAR-UHFFFAOYSA-N -1 0 349.818 3.539 20 0 EHADRM C/C(=C\C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000776671787 604853692 /nfs/dbraw/zinc/85/36/92/604853692.db2.gz IJOKIGUPJHIJCC-FMIVXFBMSA-N -1 0 345.782 3.845 20 0 EHADRM O=C([O-])c1ccc(C(=O)OCc2csc(-c3ccco3)n2)cc1F ZINC000833352873 604859950 /nfs/dbraw/zinc/85/99/50/604859950.db2.gz BRGQKXXZPLYXPL-UHFFFAOYSA-N -1 0 347.323 3.597 20 0 EHADRM C[C@@H](C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21)c1ccccc1F ZINC000669434659 604861762 /nfs/dbraw/zinc/86/17/62/604861762.db2.gz IRZLIKMZXVYZFG-DOMZBBRYSA-N -1 0 327.355 3.534 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000013223937 604863519 /nfs/dbraw/zinc/86/35/19/604863519.db2.gz NNANVJKAIQBKPL-AWEZNQCLSA-N -1 0 337.297 3.651 20 0 EHADRM CN(C(=O)c1cncc(-c2ccccc2)c1)C1(C(=O)[O-])CCCCC1 ZINC000833688418 604867437 /nfs/dbraw/zinc/86/74/37/604867437.db2.gz PCXTXPFWQGCUGD-UHFFFAOYSA-N -1 0 338.407 3.608 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cc(F)c(F)cc2F)cc1 ZINC000833420127 604876310 /nfs/dbraw/zinc/87/63/10/604876310.db2.gz ZKOOQOJFZYXCSA-UHFFFAOYSA-N -1 0 337.297 3.718 20 0 EHADRM CC(C)c1ccccc1OCC(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000013224689 604880211 /nfs/dbraw/zinc/88/02/11/604880211.db2.gz JUCHHBSAUNXEGR-KRWDZBQOSA-N -1 0 341.407 3.521 20 0 EHADRM CC(C)(C)SCCCC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833447503 604883026 /nfs/dbraw/zinc/88/30/26/604883026.db2.gz SHTDJCCUAJXNMX-ZDUSSCGKSA-N -1 0 329.506 3.648 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)/C=C\Sc1ccccc1)c1ccccc1 ZINC000833199768 604884453 /nfs/dbraw/zinc/88/44/53/604884453.db2.gz XUIFHSHZMAGJCY-YUQCYMQKSA-N -1 0 327.405 3.625 20 0 EHADRM CCn1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c2ccccc21 ZINC000195194910 604884739 /nfs/dbraw/zinc/88/47/39/604884739.db2.gz DQIACYKDXKKJAX-KRWDZBQOSA-N -1 0 336.391 3.607 20 0 EHADRM CC(C)[C@H](C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC000679105008 604886659 /nfs/dbraw/zinc/88/66/59/604886659.db2.gz GKFLVSPMEQTGHR-IRXDYDNUSA-N -1 0 331.456 3.776 20 0 EHADRM O=C([O-])c1ccc(C(=O)Oc2ccc(OC(F)(F)F)cc2)cc1F ZINC000833353919 604886939 /nfs/dbraw/zinc/88/69/39/604886939.db2.gz YLZMOHLXJIXADE-UHFFFAOYSA-N -1 0 344.216 3.642 20 0 EHADRM Cc1cccc2[nH]c(COC(=O)c3ccc(C(=O)[O-])c(F)c3)cc21 ZINC000832975616 604887577 /nfs/dbraw/zinc/88/75/77/604887577.db2.gz FKFAOPTYNOTASP-UHFFFAOYSA-N -1 0 327.311 3.671 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)[C@@H]1CCCc2sccc21 ZINC000833299532 604888711 /nfs/dbraw/zinc/88/87/11/604888711.db2.gz SHCYEGFZBWSCGW-CYBMUJFWSA-N -1 0 334.368 3.749 20 0 EHADRM C[C@@H](C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000679102191 604894161 /nfs/dbraw/zinc/89/41/61/604894161.db2.gz URABVCAJPPCIHE-TZMCWYRMSA-N -1 0 337.847 3.793 20 0 EHADRM CCC1(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)CCCC1 ZINC000236871404 604904375 /nfs/dbraw/zinc/90/43/75/604904375.db2.gz IJFMIEREBWEMGY-UHFFFAOYSA-N -1 0 325.792 3.712 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](C(=O)[O-])C(C)(C)C)Cc1ccc(Cl)cc1 ZINC000683307768 604912161 /nfs/dbraw/zinc/91/21/61/604912161.db2.gz LTJIJQZGFDXVLZ-ABAIWWIYSA-N -1 0 325.836 3.524 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H](c2ccco2)c2ccccc2)cc1F ZINC000833127854 604919062 /nfs/dbraw/zinc/91/90/62/604919062.db2.gz DZAATPLTSXAVNW-KRWDZBQOSA-N -1 0 339.322 3.636 20 0 EHADRM C[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000828252489 604919782 /nfs/dbraw/zinc/91/97/82/604919782.db2.gz UELJKRGUCNNXAQ-GXFFZTMASA-N -1 0 340.807 3.504 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1F ZINC000833165112 604922196 /nfs/dbraw/zinc/92/21/96/604922196.db2.gz DTQGGZRXRCZSFR-UHFFFAOYSA-N -1 0 348.380 3.961 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)C(C)(C)C ZINC000827485929 604925045 /nfs/dbraw/zinc/92/50/45/604925045.db2.gz CUBKMMIVGMPUAR-JTQLQIEISA-N -1 0 342.823 3.607 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)cc1F ZINC000833161951 604927587 /nfs/dbraw/zinc/92/75/87/604927587.db2.gz IWBFQXSEMJNDTL-UHFFFAOYSA-N -1 0 349.387 3.675 20 0 EHADRM C[C@@H](C(=O)N(CCCC(=O)[O-])Cc1ccccc1)c1cccc(F)c1 ZINC000237449587 604932946 /nfs/dbraw/zinc/93/29/46/604932946.db2.gz PXYHFXOVDFBLCW-OAHLLOKOSA-N -1 0 343.398 3.823 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1ccc2[nH]ccc2c1 ZINC000237952025 604935922 /nfs/dbraw/zinc/93/59/22/604935922.db2.gz GAKJQBYSSXVCPJ-UHFFFAOYSA-N -1 0 336.391 3.675 20 0 EHADRM Cc1cc2c(ncnc2NC[C@H](C(=O)[O-])c2ccc(C)cc2)s1 ZINC000833748870 604940904 /nfs/dbraw/zinc/94/09/04/604940904.db2.gz ICDXNYHNORAYBC-AWEZNQCLSA-N -1 0 327.409 3.588 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2nc3c(s2)CCCCCC3)cc1F ZINC000833163833 604949713 /nfs/dbraw/zinc/94/97/13/604949713.db2.gz XJNVHOSFHUOVEV-UHFFFAOYSA-N -1 0 348.399 3.892 20 0 EHADRM CC(C)CC[C@H]1CCCN1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000826844670 604956604 /nfs/dbraw/zinc/95/66/04/604956604.db2.gz FEBMEXAIQSHDBN-MRXNPFEDSA-N -1 0 333.432 3.887 20 0 EHADRM CN(Cc1nc(-c2ccccc2)c[nH]1)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000833696809 604962080 /nfs/dbraw/zinc/96/20/80/604962080.db2.gz UTDSBHKLAYOLLB-UHFFFAOYSA-N -1 0 339.370 3.546 20 0 EHADRM CC(C)CCC[C@@H](C)NC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000391116854 604973480 /nfs/dbraw/zinc/97/34/80/604973480.db2.gz GJDWJMMLGCMMBF-HUUCEWRRSA-N -1 0 326.481 3.734 20 0 EHADRM CC(C)C[C@H]1CCCCN1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000826831537 604977306 /nfs/dbraw/zinc/97/73/06/604977306.db2.gz DBLAODDBWDQZJN-CYBMUJFWSA-N -1 0 339.461 3.593 20 0 EHADRM CC(C)[C@@H](OC(=O)CN(C)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000833472717 604977408 /nfs/dbraw/zinc/97/74/08/604977408.db2.gz MYAUQGRUAWADAK-CYBMUJFWSA-N -1 0 333.306 3.556 20 0 EHADRM CC(C)[C@H](OC(=O)CN(C)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000833472718 604977636 /nfs/dbraw/zinc/97/76/36/604977636.db2.gz MYAUQGRUAWADAK-ZDUSSCGKSA-N -1 0 333.306 3.556 20 0 EHADRM CSc1cccc(NC(=O)Nc2nc(CCC(=O)[O-])cs2)c1 ZINC000832789662 604990478 /nfs/dbraw/zinc/99/04/78/604990478.db2.gz CZBCMPSVMVDZEE-UHFFFAOYSA-N -1 0 337.426 3.526 20 0 EHADRM CCc1nc(NC(=O)[C@@H](CC)Oc2cccc(C)c2)sc1C(=O)[O-] ZINC000833674336 604996217 /nfs/dbraw/zinc/99/62/17/604996217.db2.gz PDMMEVDVPXWWKE-CYBMUJFWSA-N -1 0 348.424 3.508 20 0 EHADRM CCc1nc(NC(=O)[C@@H](C)c2ccc(CC)cc2)sc1C(=O)[O-] ZINC000833671198 604998622 /nfs/dbraw/zinc/99/86/22/604998622.db2.gz SUBWJPRJKBGBRS-JTQLQIEISA-N -1 0 332.425 3.708 20 0 EHADRM C[C@H](OC(=O)c1nc(-c2ccccc2)oc1-c1ccccc1)C(=O)[O-] ZINC000737715950 605014591 /nfs/dbraw/zinc/01/45/91/605014591.db2.gz DCYWTTKHQKHJFI-LBPRGKRZSA-N -1 0 337.331 3.639 20 0 EHADRM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000659399699 605022251 /nfs/dbraw/zinc/02/22/51/605022251.db2.gz FPQNWKJUCLSDTQ-AUUYWEPGSA-N -1 0 344.455 3.596 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)c1cncc(C(=O)[O-])c1)c1ccccc1 ZINC000833425806 605028544 /nfs/dbraw/zinc/02/85/44/605028544.db2.gz YADHRJYENDBZKD-INIZCTEOSA-N -1 0 326.396 3.687 20 0 EHADRM CC(C)c1cc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)no1 ZINC000833509182 605041800 /nfs/dbraw/zinc/04/18/00/605041800.db2.gz GIBQSJNHJKGXQO-UHFFFAOYSA-N -1 0 334.397 3.689 20 0 EHADRM CC(C)n1cccc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000833513518 605043904 /nfs/dbraw/zinc/04/39/04/605043904.db2.gz MYALBVYHIBDTOI-AWEZNQCLSA-N -1 0 334.803 3.668 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)O[C@H](c1ccccc1)c1ccccn1 ZINC000833456424 605066812 /nfs/dbraw/zinc/06/68/12/605066812.db2.gz NBDWVKYILLKSSC-GOSISDBHSA-N -1 0 327.380 3.605 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000190661616 605067576 /nfs/dbraw/zinc/06/75/76/605067576.db2.gz YMZAYOFANLBVBQ-AWEZNQCLSA-N -1 0 335.469 3.518 20 0 EHADRM Cc1c(NC(=O)Nc2cccc(NC(=O)[O-])c2)cccc1N(C)C ZINC000833742317 605080857 /nfs/dbraw/zinc/08/08/57/605080857.db2.gz QLXJNTXMDCUBPN-UHFFFAOYSA-N -1 0 328.372 3.795 20 0 EHADRM C[C@H]1CC[C@]2(CCN(C(=O)NCCc3ccc(NC(=O)[O-])cc3)C2)C1 ZINC000833610226 605089993 /nfs/dbraw/zinc/08/99/93/605089993.db2.gz JSZCURHPAYKEBP-LIRRHRJNSA-N -1 0 345.443 3.541 20 0 EHADRM C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC000833602260 605090065 /nfs/dbraw/zinc/09/00/65/605090065.db2.gz AZXHINNGVOSZAW-FZKQIMNGSA-N -1 0 338.407 3.823 20 0 EHADRM C[C@H]1CC/C(=C\C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)C1 ZINC000833600268 605094133 /nfs/dbraw/zinc/09/41/33/605094133.db2.gz CXNMYGAPTHHTIF-HZAKCSEPSA-N -1 0 338.201 3.832 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000029004365 605095364 /nfs/dbraw/zinc/09/53/64/605095364.db2.gz VMTNVVWHODYOMK-UHFFFAOYSA-N -1 0 343.427 3.592 20 0 EHADRM CCC(CC)(CNC(=O)N1CCC[C@@H]1c1ccccc1C)C(=O)[O-] ZINC000424418686 605096632 /nfs/dbraw/zinc/09/66/32/605096632.db2.gz ZBFDYDLJICIJOC-MRXNPFEDSA-N -1 0 332.444 3.733 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2ccc(SC(F)F)cc2)CC1 ZINC000194381652 605097545 /nfs/dbraw/zinc/09/75/45/605097545.db2.gz LVXXTMBFKZGRHX-UHFFFAOYSA-N -1 0 329.368 3.831 20 0 EHADRM CC(C)C[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000833475582 605100556 /nfs/dbraw/zinc/10/05/56/605100556.db2.gz QVGOFWRZXKOYRH-VIFPVBQESA-N -1 0 330.331 3.542 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N(Cc1ccccc1)c1ccccn1 ZINC000833451699 605100952 /nfs/dbraw/zinc/10/09/52/605100952.db2.gz WIKIXDISTVQGBR-UHFFFAOYSA-N -1 0 326.396 3.506 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1cccnc1Oc1ccccc1 ZINC000833454387 605104265 /nfs/dbraw/zinc/10/42/65/605104265.db2.gz LSSZPAIWHDRNRL-UHFFFAOYSA-N -1 0 328.368 3.703 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000833454956 605106211 /nfs/dbraw/zinc/10/62/11/605106211.db2.gz YWNOIALRJLVTQP-UHFFFAOYSA-N -1 0 328.368 3.703 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000833452103 605110052 /nfs/dbraw/zinc/11/00/52/605110052.db2.gz ZZEZBLQKGQWSDR-AWEZNQCLSA-N -1 0 344.411 3.772 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N1CC[C@]2(CC[C@@H](C)C2)C1)C(=O)[O-] ZINC000450537649 605118675 /nfs/dbraw/zinc/11/86/75/605118675.db2.gz DHISHRZKLQMXRY-LPMFXHHGSA-N -1 0 347.480 3.904 20 0 EHADRM C[C@H]1CC[C@H](NC(=O)NC2CCC(C(=O)[O-])CC2)c2ccccc21 ZINC000263239471 605122881 /nfs/dbraw/zinc/12/28/81/605122881.db2.gz NOMRCFUWFUZUNN-VWLISTAJSA-N -1 0 330.428 3.568 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)/C=C\c1ccc2[nH]ccc2c1)c1ccccc1 ZINC000833410963 605129362 /nfs/dbraw/zinc/12/93/62/605129362.db2.gz JQQBMIHEYJSNBA-HMSCHSAGSA-N -1 0 348.402 3.759 20 0 EHADRM C[C@@H](c1ccco1)N(C(=O)Nc1ccc(F)cc1C(=O)[O-])C1CC1 ZINC000833549358 605134345 /nfs/dbraw/zinc/13/43/45/605134345.db2.gz LQSDEHMAMYCFMI-JTQLQIEISA-N -1 0 332.331 3.874 20 0 EHADRM CCN(C[C@H]1CCCO1)C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC000833654354 605136769 /nfs/dbraw/zinc/13/67/69/605136769.db2.gz MCLAVABSXHOSEJ-CQSZACIVSA-N -1 0 334.416 3.541 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCCN2C(=O)c1cccc(C(=O)[O-])n1 ZINC000833448996 605136780 /nfs/dbraw/zinc/13/67/80/605136780.db2.gz DOVCGQBCSFRSOQ-UHFFFAOYSA-N -1 0 338.407 3.670 20 0 EHADRM Cc1nnc(S[C@@H](CC(C)(C)C)C(=O)[O-])n1-c1ccccc1C ZINC000833752845 605148690 /nfs/dbraw/zinc/14/86/90/605148690.db2.gz BADXYOSFGUMATC-AWEZNQCLSA-N -1 0 333.457 3.866 20 0 EHADRM C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000833593660 605148728 /nfs/dbraw/zinc/14/87/28/605148728.db2.gz UEEOXUQUZOXJPD-KOLCDFICSA-N -1 0 337.441 3.688 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1ccc(C(F)(F)F)cc1Cl)C(=O)[O-] ZINC000833424322 605150292 /nfs/dbraw/zinc/15/02/92/605150292.db2.gz QZVABXMXSJIVLL-SNVBAGLBSA-N -1 0 337.725 3.588 20 0 EHADRM C[C@H]1CC(=O)c2c1c(F)ccc2OCCOc1ccccc1C(=O)[O-] ZINC000833593983 605150819 /nfs/dbraw/zinc/15/08/19/605150819.db2.gz WDVPFXQVUCITIK-NSHDSACASA-N -1 0 344.338 3.672 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1C(C)C ZINC000761661619 605156383 /nfs/dbraw/zinc/15/63/83/605156383.db2.gz DKYJEVIZAAEKLL-UHFFFAOYSA-N -1 0 346.358 3.739 20 0 EHADRM CCCN(CC)c1ccc(C(=O)Nc2scc(C(=O)[O-])c2C)cn1 ZINC000833650861 605185637 /nfs/dbraw/zinc/18/56/37/605185637.db2.gz FLPMXUKFJKAEBB-UHFFFAOYSA-N -1 0 347.440 3.638 20 0 EHADRM CC(C)CN(CCc1ccccc1)C(=O)Cc1ccccc1C(=O)[O-] ZINC000833486557 605231841 /nfs/dbraw/zinc/23/18/41/605231841.db2.gz MEXAZJWKHADKTI-UHFFFAOYSA-N -1 0 339.435 3.655 20 0 EHADRM CCCOc1cc(C)ccc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000261767365 605238004 /nfs/dbraw/zinc/23/80/04/605238004.db2.gz WNIPWGQOKFXCTD-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)c1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000833430320 605238373 /nfs/dbraw/zinc/23/83/73/605238373.db2.gz VNNRBGICJVLQIN-CYBMUJFWSA-N -1 0 333.409 3.856 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)/C=C\c1ccc2ccccc2n1)C(=O)[O-] ZINC000833427324 605240389 /nfs/dbraw/zinc/24/03/89/605240389.db2.gz KNPHPFPVOAYSNP-BLIJAFNYSA-N -1 0 327.380 3.681 20 0 EHADRM O=C([O-])N1CCC[C@H](CNc2cccc(C3SCCS3)c2)C1 ZINC000831985308 605242120 /nfs/dbraw/zinc/24/21/20/605242120.db2.gz ITEGLCGZRQVNIW-GFCCVEGCSA-N -1 0 338.498 3.967 20 0 EHADRM C[C@@H]1CCC[C@H](OCCCCCC(=O)Nc2ccc(C(=O)[O-])nc2)C1 ZINC000833607848 605250680 /nfs/dbraw/zinc/25/06/80/605250680.db2.gz JFDLLFKXKXSEII-ZBFHGGJFSA-N -1 0 348.443 3.874 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NCCc1ccc(Cl)cc1Cl ZINC000061826288 605251760 /nfs/dbraw/zinc/25/17/60/605251760.db2.gz HKVIBEQVMXVZTB-UHFFFAOYSA-N -1 0 332.227 3.543 20 0 EHADRM COc1ccc2sc(C(=O)Nc3ccc(C(=O)[O-])nc3)c(C)c2c1 ZINC000833735395 605257240 /nfs/dbraw/zinc/25/72/40/605257240.db2.gz ZIFSUOJTBAIOHB-UHFFFAOYSA-N -1 0 342.376 3.564 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)Nc1ncc(C2CCCCC2)s1 ZINC000833484445 605258424 /nfs/dbraw/zinc/25/84/24/605258424.db2.gz OSKYELJUPRSWLH-LBPRGKRZSA-N -1 0 339.461 3.812 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N(Cc1cscn1)c1ccccc1 ZINC000833451625 605259992 /nfs/dbraw/zinc/25/99/92/605259992.db2.gz RTMPQEUWLQDYPS-UHFFFAOYSA-N -1 0 332.425 3.567 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCC[C@H]1CCCc1ccccc1 ZINC000649370845 605264985 /nfs/dbraw/zinc/26/49/85/605264985.db2.gz CGWOVVIZMJFXAO-QGZVFWFLSA-N -1 0 331.456 3.891 20 0 EHADRM CC(C)C[C@H](C)OCCC(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833474899 605274999 /nfs/dbraw/zinc/27/49/99/605274999.db2.gz AQIHHBBNIJDZGC-NSHDSACASA-N -1 0 326.368 3.695 20 0 EHADRM CC(C)(NC(=O)c1cccc(Oc2ccc(Cl)cc2)c1)C(=O)[O-] ZINC000431452746 605289402 /nfs/dbraw/zinc/28/94/02/605289402.db2.gz PGBASJRLGXZBAP-UHFFFAOYSA-N -1 0 333.771 3.725 20 0 EHADRM C[C@H](Cc1noc(-c2ccc(SC(F)F)cc2)n1)N(C)C(=O)[O-] ZINC000825035740 605300035 /nfs/dbraw/zinc/30/00/35/605300035.db2.gz CJLNGETUVXITSZ-MRVPVSSYSA-N -1 0 343.355 3.592 20 0 EHADRM C[C@@H](Oc1ccccc1)C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000191471200 605302128 /nfs/dbraw/zinc/30/21/28/605302128.db2.gz WVSLLRLLXPMVKS-KUHUBIRLSA-N -1 0 349.386 3.549 20 0 EHADRM Cc1c(-c2nc(C[C@@H](C)N(C)C(=O)[O-])no2)sc2nccc(C)c12 ZINC000830611795 605303188 /nfs/dbraw/zinc/30/31/88/605303188.db2.gz PKVYVPMXUSFZOW-SECBINFHSA-N -1 0 346.412 3.504 20 0 EHADRM COc1cc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)ccc1C ZINC000431855246 605303598 /nfs/dbraw/zinc/30/35/98/605303598.db2.gz GCKWTTSVWGXMHT-IBGZPJMESA-N -1 0 349.386 3.713 20 0 EHADRM C[C@H](Cc1noc([C@H](C)CSc2ccccc2)n1)N(C)C(=O)[O-] ZINC000825015133 605305850 /nfs/dbraw/zinc/30/58/50/605305850.db2.gz CHKAMHSRGVIVCH-VXGBXAGGSA-N -1 0 335.429 3.506 20 0 EHADRM CC(C)(C)/C=C\C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000833422266 605309153 /nfs/dbraw/zinc/30/91/53/605309153.db2.gz DQNXGHIDBOYUMF-YXVBKTCISA-N -1 0 343.345 3.940 20 0 EHADRM Cc1ccc(SCCc2nc(C[C@H](C)N(C)C(=O)[O-])no2)cc1C ZINC000830427525 605338263 /nfs/dbraw/zinc/33/82/63/605338263.db2.gz JNBOEMCDZUHZSD-ZDUSSCGKSA-N -1 0 349.456 3.562 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cccc([C@@H]3CCCOC3)c2)cc1 ZINC000834261608 605349894 /nfs/dbraw/zinc/34/98/94/605349894.db2.gz HDEWAUFPVAYSLZ-OAHLLOKOSA-N -1 0 340.379 3.923 20 0 EHADRM C[C@@H]1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C[C@@H]1F ZINC000833616631 605391248 /nfs/dbraw/zinc/39/12/48/605391248.db2.gz YDCMYGDQLBZQCS-ABAIWWIYSA-N -1 0 334.416 3.688 20 0 EHADRM Cc1cc(O)c(C(C)C)cc1NC(=O)CN(C(=O)[O-])c1ccccc1 ZINC000830123293 605394726 /nfs/dbraw/zinc/39/47/26/605394726.db2.gz SWBOJGNKJDJMCP-UHFFFAOYSA-N -1 0 342.395 3.947 20 0 EHADRM CCC(CC)[C@@H]1C[C@@H](NC(=O)Nc2cccc(C(=O)[O-])c2C)CCO1 ZINC000833643032 605396044 /nfs/dbraw/zinc/39/60/44/605396044.db2.gz WMMLZRQGZJAGHF-YOEHRIQHSA-N -1 0 348.443 3.799 20 0 EHADRM CC(C)(C)Sc1cc(C(=O)Nc2cccc(C(=O)[O-])c2)ccn1 ZINC000833447894 605417704 /nfs/dbraw/zinc/41/77/04/605417704.db2.gz DRVNJFFGXPFVGO-UHFFFAOYSA-N -1 0 330.409 3.923 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)CCC(=O)c2cccc(F)c2)cc1 ZINC000834262121 605420986 /nfs/dbraw/zinc/42/09/86/605420986.db2.gz IKJMOWSDOBQGOB-UHFFFAOYSA-N -1 0 330.315 3.517 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000833383224 605436571 /nfs/dbraw/zinc/43/65/71/605436571.db2.gz IYEYWTGYVAZJKX-GDNBJRDFSA-N -1 0 339.391 3.809 20 0 EHADRM O=C([O-])c1n[nH]c2ccc(NC(=O)c3ccc(-c4ccccc4)o3)cc21 ZINC000833769422 605450758 /nfs/dbraw/zinc/45/07/58/605450758.db2.gz BVLYMJCMCUFLIM-UHFFFAOYSA-N -1 0 347.330 3.773 20 0 EHADRM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=S)Nc1ccc2ccccc2c1 ZINC000825844221 605451971 /nfs/dbraw/zinc/45/19/71/605451971.db2.gz HZIJHHWAEZWNHR-BLLLJJGKSA-N -1 0 343.452 3.657 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)C=Cc2ccc(Cl)nc2)c1 ZINC000834261443 605454661 /nfs/dbraw/zinc/45/46/61/605454661.db2.gz LLEAMJPJQCJCAO-QHHAFSJGSA-N -1 0 335.722 3.616 20 0 EHADRM C[C@@H]1C[C@H](C(=O)N(C)c2ccc(OCC(=O)[O-])cc2)CC(C)(C)C1 ZINC000262997940 605459306 /nfs/dbraw/zinc/45/93/06/605459306.db2.gz KOBAZSDMYQOCSW-KGLIPLIRSA-N -1 0 333.428 3.575 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cnc3ccc(F)cc3c2)cc1 ZINC000834261113 605459819 /nfs/dbraw/zinc/45/98/19/605459819.db2.gz AYXKHHUIPRIGKY-UHFFFAOYSA-N -1 0 325.299 3.716 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000833660381 605508210 /nfs/dbraw/zinc/50/82/10/605508210.db2.gz JURVQYTYYQBQPK-UHFFFAOYSA-N -1 0 337.734 3.828 20 0 EHADRM C[C@@H](C(=O)O[C@@H](C(=O)[O-])c1c(F)cccc1Cl)c1ccco1 ZINC000833404980 605509847 /nfs/dbraw/zinc/50/98/47/605509847.db2.gz AJZVFRXIESNPML-AMIZOPFISA-N -1 0 326.707 3.545 20 0 EHADRM CCN(CCCNC(=O)Nc1cc(C(F)F)ccc1Cl)C(=O)[O-] ZINC000827125367 605556140 /nfs/dbraw/zinc/55/61/40/605556140.db2.gz ZFLJMUSPEIBEIG-UHFFFAOYSA-N -1 0 349.765 3.789 20 0 EHADRM C[C@@H]1CN(C(=O)C[C@H](NC(=O)[O-])c2ccccc2)Cc2ccccc21 ZINC000825974406 605568488 /nfs/dbraw/zinc/56/84/88/605568488.db2.gz IPIORTUSFNKFRU-KDOFPFPSSA-N -1 0 338.407 3.531 20 0 EHADRM Cc1cc(C(=O)Nc2ccnn2CCC(C)C)ccc1NC(=O)[O-] ZINC000829970214 605585976 /nfs/dbraw/zinc/58/59/76/605585976.db2.gz CPJNEAUIMPMREN-UHFFFAOYSA-N -1 0 330.388 3.580 20 0 EHADRM CCOc1ccccc1[C@H](C)NC(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000827453316 605596415 /nfs/dbraw/zinc/59/64/15/605596415.db2.gz RTVLPVDHGJVVOK-ZDUSSCGKSA-N -1 0 342.395 3.975 20 0 EHADRM C[C@H]1C[C@H](C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)C[C@@H](C)C1 ZINC000833594560 605605938 /nfs/dbraw/zinc/60/59/38/605605938.db2.gz OFDYXVFTLITJHD-QLPKVWCKSA-N -1 0 347.455 3.619 20 0 EHADRM O=C([O-])N[C@@H](CC(=O)Nc1ccccc1Cc1ccccc1)C1CC1 ZINC000834130609 605612360 /nfs/dbraw/zinc/61/23/60/605612360.db2.gz UKVRSDSUNZINMQ-SFHVURJKSA-N -1 0 338.407 3.652 20 0 EHADRM Cc1ccc(C(F)(F)C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000833748926 605619523 /nfs/dbraw/zinc/61/95/23/605619523.db2.gz JFQZVYJAWPTHFT-ZDUSSCGKSA-N -1 0 345.345 3.692 20 0 EHADRM C[C@@H](OC(=O)c1ccc([C@H]2CCCOC2)cc1)c1ccc(C(=O)[O-])o1 ZINC000833532637 605673274 /nfs/dbraw/zinc/67/32/74/605673274.db2.gz RQIWMNVPDVKIEI-DOMZBBRYSA-N -1 0 344.363 3.790 20 0 EHADRM O=C([O-])N1CCC[C@H](Nc2cccc(COCc3ccco3)c2)C1 ZINC000834102325 605694766 /nfs/dbraw/zinc/69/47/66/605694766.db2.gz BMBZCBOPZDVURN-INIZCTEOSA-N -1 0 330.384 3.551 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N1CC[C@@H](c2ccccc2F)C1 ZINC000740039931 605695429 /nfs/dbraw/zinc/69/54/29/605695429.db2.gz AFEBUJHJQDJBQY-GFCCVEGCSA-N -1 0 328.343 3.545 20 0 EHADRM CC[C@H](c1ccncc1)N(C)C(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000826638063 605696340 /nfs/dbraw/zinc/69/63/40/605696340.db2.gz BMBUXUCEECWBJY-MRXNPFEDSA-N -1 0 327.384 3.703 20 0 EHADRM Cc1cc(C(=O)N2CCc3c(F)ccc(F)c3C2)ccc1NC(=O)[O-] ZINC000829935279 605709659 /nfs/dbraw/zinc/70/96/59/605709659.db2.gz YKGPCPHPPYZFCC-UHFFFAOYSA-N -1 0 346.333 3.562 20 0 EHADRM COc1cccc2c1CC[C@H]2NC(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000829579610 605711537 /nfs/dbraw/zinc/71/15/37/605711537.db2.gz BXBUIPJDRICFOQ-MRXNPFEDSA-N -1 0 340.379 3.511 20 0 EHADRM Cc1c(C(=O)N2CC[C@H](NC(=O)[O-])C[C@H]2C)oc2c1c(C)ccc2C ZINC000830274255 605724618 /nfs/dbraw/zinc/72/46/18/605724618.db2.gz GWIOFORKTGRZPE-OCCSQVGLSA-N -1 0 344.411 3.619 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CC[C@H](NC(=O)[O-])C[C@@H]2C)cc1 ZINC000824465090 605728663 /nfs/dbraw/zinc/72/86/63/605728663.db2.gz ZARLQUNGAZNHTI-MGHWNKPDSA-N -1 0 344.455 3.561 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)Nc1ccc2cccc(Cl)c2n1 ZINC000833478181 605739190 /nfs/dbraw/zinc/73/91/90/605739190.db2.gz CKVWHRJFRVTYHA-LBPRGKRZSA-N -1 0 335.791 3.509 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)Nc1scnc1C1CC1)c1ccccc1 ZINC000834138738 605758611 /nfs/dbraw/zinc/75/86/11/605758611.db2.gz WNFUQMBUOATIBV-ZDUSSCGKSA-N -1 0 345.424 3.748 20 0 EHADRM Cc1cc(C(=O)N2C[C@@H](C(F)(F)F)CC[C@H]2C)ccc1NC(=O)[O-] ZINC000833899439 605769769 /nfs/dbraw/zinc/76/97/69/605769769.db2.gz RHDMIUFCXCWHJB-PWSUYJOCSA-N -1 0 344.333 3.888 20 0 EHADRM CC(C)N(C)C(=O)[C@@H](C)SCc1cc(C(=O)[O-])ccc1Cl ZINC000833541590 605787970 /nfs/dbraw/zinc/78/79/70/605787970.db2.gz CFWPPCDNYKZZSC-SNVBAGLBSA-N -1 0 329.849 3.527 20 0 EHADRM O=C([O-])N[C@H]1C[C@H](NCc2coc(-c3ccccc3)n2)c2ccccc21 ZINC000834159248 605800905 /nfs/dbraw/zinc/80/09/05/605800905.db2.gz RMWFXCCTQREUFJ-ROUUACIJSA-N -1 0 349.390 3.885 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)CCSc2ccccc2)c(F)c1 ZINC000833776680 605802465 /nfs/dbraw/zinc/80/24/65/605802465.db2.gz NIYZVSVCJYJJNI-UHFFFAOYSA-N -1 0 334.368 3.541 20 0 EHADRM Cc1c(NC(=O)c2ccc(NC(=O)[O-])cc2)cnn1-c1ccccc1 ZINC000829883781 605806125 /nfs/dbraw/zinc/80/61/25/605806125.db2.gz JSFIJQQCVWLWGB-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM Cc1cc(NC(=O)c2cccc(NC(=O)[O-])c2)nn1-c1ccccc1 ZINC000833900381 605818790 /nfs/dbraw/zinc/81/87/90/605818790.db2.gz HKPKWWPCXNMHRQ-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM C[C@H]1CN(Cc2cc(C(=O)[O-])ccc2F)C[C@@H](c2ccc(F)cc2)O1 ZINC000833630094 605835846 /nfs/dbraw/zinc/83/58/46/605835846.db2.gz PUSFBCQNCIILEV-SGTLLEGYSA-N -1 0 347.361 3.625 20 0 EHADRM C[C@H]1CN(Cc2cc(C(=O)[O-])ccc2F)C[C@H](c2ccsc2)O1 ZINC000833630896 605838921 /nfs/dbraw/zinc/83/89/21/605838921.db2.gz YOMLICZIEZIVTR-MEDUHNTESA-N -1 0 335.400 3.547 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)CCc3ccc(F)cc3F)ccc21 ZINC000834000486 605863717 /nfs/dbraw/zinc/86/37/17/605863717.db2.gz XKLIDZDMXJIBRB-UHFFFAOYSA-N -1 0 346.333 3.577 20 0 EHADRM CCCN(CCc1ccccn1)C(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000826912236 605890275 /nfs/dbraw/zinc/89/02/75/605890275.db2.gz UMUOYLWXSWXEBJ-UHFFFAOYSA-N -1 0 341.411 3.575 20 0 EHADRM O=C([O-])N1CCC2(CCN(C(=O)Nc3ccc(C4CC4)cc3)C2)CC1 ZINC000834090297 605923492 /nfs/dbraw/zinc/92/34/92/605923492.db2.gz OBWZWSUIQCOFRY-UHFFFAOYSA-N -1 0 343.427 3.562 20 0 EHADRM Cc1nc(NC(=O)[O-])sc1C(=O)N(C)C1CCCCCCC1 ZINC000833914093 605943130 /nfs/dbraw/zinc/94/31/30/605943130.db2.gz QQKWRCOEVNVETN-UHFFFAOYSA-N -1 0 325.434 3.726 20 0 EHADRM Cc1nc(NC(=O)[O-])sc1C(=O)N(C)C1CCC(C)(C)CC1 ZINC000833913755 605947354 /nfs/dbraw/zinc/94/73/54/605947354.db2.gz KOKSBLLRCLNDAI-UHFFFAOYSA-N -1 0 325.434 3.582 20 0 EHADRM Cc1noc(C)c1[C@H](C)CC(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000833927078 605992452 /nfs/dbraw/zinc/99/24/52/605992452.db2.gz BDKJDIANHBYTQL-LLVKDONJSA-N -1 0 345.399 3.534 20 0 EHADRM O=C([O-])N[C@@H](CC(F)F)C(=O)Oc1ccc2oc3ccccc3c2c1 ZINC000834139129 606003274 /nfs/dbraw/zinc/00/32/74/606003274.db2.gz YSTDTUYJBKYLJO-LBPRGKRZSA-N -1 0 349.289 3.783 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)c1ccc(C(F)(F)F)nc1 ZINC000833906394 606005977 /nfs/dbraw/zinc/00/59/77/606005977.db2.gz QNDGMNBHFNNJCB-UHFFFAOYSA-N -1 0 339.273 3.751 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)[C@@H](CC(F)F)NC(=O)[O-])c1ccccc1 ZINC000833789570 606012628 /nfs/dbraw/zinc/01/26/28/606012628.db2.gz LWSYBDYFGSHOPI-CHWSQXEVSA-N -1 0 342.386 3.572 20 0 EHADRM O=C([O-])Nc1cnc(C(=O)Nc2ccccc2-c2cccs2)cn1 ZINC000834278884 606015853 /nfs/dbraw/zinc/01/58/53/606015853.db2.gz PMGJXFGKRZYYCZ-UHFFFAOYSA-N -1 0 340.364 3.547 20 0 EHADRM O=C([O-])N1CCCc2cccc(OC[C@@H](O)c3c(F)cccc3F)c21 ZINC000834117486 606038259 /nfs/dbraw/zinc/03/82/59/606038259.db2.gz YUQBVJHAFPADCV-CQSZACIVSA-N -1 0 349.333 3.508 20 0 EHADRM O=C([O-])Nc1ccc(OC[C@H](O)c2cccc(C(F)(F)F)c2)cc1 ZINC000834263148 606039158 /nfs/dbraw/zinc/03/91/58/606039158.db2.gz XGVDPCLNEUSPHP-AWEZNQCLSA-N -1 0 341.285 3.908 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000834273417 606041482 /nfs/dbraw/zinc/04/14/82/606041482.db2.gz NCLJUAROHFODFM-UHFFFAOYSA-N -1 0 338.285 3.977 20 0 EHADRM Cc1ccc(SCCNC(=O)Cc2ccccc2NC(=O)[O-])cc1 ZINC000833907068 606042105 /nfs/dbraw/zinc/04/21/05/606042105.db2.gz AKHDAUQCEMTCIY-UHFFFAOYSA-N -1 0 344.436 3.536 20 0 EHADRM O=C([O-])Nc1ccccc1Cc1nc(Cc2cccc(Cl)c2)no1 ZINC000834274131 606045283 /nfs/dbraw/zinc/04/52/83/606045283.db2.gz DTOSIUZMMTUGOR-UHFFFAOYSA-N -1 0 343.770 3.995 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000834271833 606059947 /nfs/dbraw/zinc/05/99/47/606059947.db2.gz MMHZKEYDUFBEOV-IBGZPJMESA-N -1 0 338.407 3.977 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)NC1(c2ccc(Cl)cc2)CC1 ZINC000834272299 606061596 /nfs/dbraw/zinc/06/15/96/606061596.db2.gz PGABAKUHYZIBNH-UHFFFAOYSA-N -1 0 344.798 3.778 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@H]2CCSc3c(F)cccc32)cc1 ZINC000834257775 606071976 /nfs/dbraw/zinc/07/19/76/606071976.db2.gz OIGGZSAEEDZUSE-AWEZNQCLSA-N -1 0 346.383 3.883 20 0 EHADRM O=C([O-])C1(NC(=O)c2ccc(Cl)cc2Cl)CCCCCC1 ZINC000037366950 939031273 /nfs/dbraw/zinc/03/12/73/939031273.db2.gz IOUMDPMIUDKBPH-UHFFFAOYSA-N -1 0 330.211 3.901 20 0 EHADRM C[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1)c1cccs1 ZINC000181903568 939034360 /nfs/dbraw/zinc/03/43/60/939034360.db2.gz OEORNSMHOBUGSO-ISVAXAHUSA-N -1 0 341.791 3.586 20 0 EHADRM O=C([O-])C1(NC(=O)CC2CCC(C(F)(F)F)CC2)CCCCC1 ZINC000190484778 939034788 /nfs/dbraw/zinc/03/47/88/939034788.db2.gz CZHKMTJYGDBYQT-UHFFFAOYSA-N -1 0 335.366 3.649 20 0 EHADRM Cc1cc(C)cc([C@H](NC(=O)Nc2ccc3c(c2)CCC3)C(=O)[O-])c1 ZINC000684743279 939044999 /nfs/dbraw/zinc/04/49/99/939044999.db2.gz ZJRQRMWSPGYSQE-SFHVURJKSA-N -1 0 338.407 3.740 20 0 EHADRM Cc1cc(NC(=O)N[C@H](C(=O)[O-])c2ccc(F)c(C)c2)ccc1F ZINC000684746073 939048002 /nfs/dbraw/zinc/04/80/02/939048002.db2.gz SBWFSRSDXIOVBO-HNNXBMFYSA-N -1 0 334.322 3.529 20 0 EHADRM Cc1cccc([C@@H](NC(=O)Nc2ccc(C)c(F)c2)C(=O)[O-])c1C ZINC000684745802 939048049 /nfs/dbraw/zinc/04/80/49/939048049.db2.gz RWFYWXMRFQOCRH-MRXNPFEDSA-N -1 0 330.359 3.698 20 0 EHADRM O=C([O-])C1(NC(=O)c2ccc(OC3CCCC3)cc2)CCCCC1 ZINC000237975945 939052875 /nfs/dbraw/zinc/05/28/75/939052875.db2.gz SHWDFVSXDSEINA-UHFFFAOYSA-N -1 0 331.412 3.525 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)c1ccccc1 ZINC000238003704 939054115 /nfs/dbraw/zinc/05/41/15/939054115.db2.gz NUSQIGNEYXIWPJ-ZCNNSNEGSA-N -1 0 345.398 3.885 20 0 EHADRM O=C([O-])C1(NC(=O)CCCc2ccc(Cl)c(Cl)c2)CCCC1 ZINC000238075730 939057064 /nfs/dbraw/zinc/05/70/64/939057064.db2.gz OJZOBMOBINSABJ-UHFFFAOYSA-N -1 0 344.238 3.830 20 0 EHADRM O=C([O-])C1(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)CCCCCC1 ZINC000261959544 939057815 /nfs/dbraw/zinc/05/78/15/939057815.db2.gz XLPXOYIPALOTCZ-NEPJUHHUSA-N -1 0 335.366 3.649 20 0 EHADRM CC[C@](NC(=O)/C=C(\C)c1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC000766971595 939085274 /nfs/dbraw/zinc/08/52/74/939085274.db2.gz UJHADMHRNPLRIU-FBRRREGBSA-N -1 0 341.382 3.735 20 0 EHADRM CC[C@](NC(=O)/C(C)=C/c1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC000776618968 939089273 /nfs/dbraw/zinc/08/92/73/939089273.db2.gz HVEYVCOLDLHILB-FBRRREGBSA-N -1 0 341.382 3.735 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1C ZINC000263118807 939101461 /nfs/dbraw/zinc/10/14/61/939101461.db2.gz SBQDJHVXMFNAPP-OWCLPIDISA-N -1 0 343.448 3.719 20 0 EHADRM O=C([O-])C1(NC(=O)C[C@@H](Cc2ccccc2)c2ccccc2)CCC1 ZINC000263176765 939107102 /nfs/dbraw/zinc/10/71/02/939107102.db2.gz UBTWFRURANRAEL-GOSISDBHSA-N -1 0 337.419 3.527 20 0 EHADRM CCC[C@@H](NC(=O)N[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000780369961 939111277 /nfs/dbraw/zinc/11/12/77/939111277.db2.gz LPSGVMLWFCSOEP-SJORKVTESA-N -1 0 326.396 3.653 20 0 EHADRM C[C@@](NC(=O)c1cc(Cl)cc(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC000315609169 939121515 /nfs/dbraw/zinc/12/15/15/939121515.db2.gz MGYGSQJSGFMVIH-INIZCTEOSA-N -1 0 338.190 3.723 20 0 EHADRM C[C@H](Sc1ccccc1)C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000345837495 939128452 /nfs/dbraw/zinc/12/84/52/939128452.db2.gz KYOHIEDPNYKNQT-NHYWBVRUSA-N -1 0 349.839 3.763 20 0 EHADRM CCC1CCC(NC(=O)c2cc(C)c(F)cc2Cl)(C(=O)[O-])CC1 ZINC000346022177 939129130 /nfs/dbraw/zinc/12/91/30/939129130.db2.gz XUFVDOWNNUOOAB-UHFFFAOYSA-N -1 0 341.810 3.941 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000414447567 939140622 /nfs/dbraw/zinc/14/06/22/939140622.db2.gz LAUJGLHOXANUJQ-OCCSQVGLSA-N -1 0 335.450 3.561 20 0 EHADRM CC[C@](NC(=O)[C@H]1CCC[C@H](F)C1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000425229228 939141725 /nfs/dbraw/zinc/14/17/25/939141725.db2.gz BGWTZVGVYUPASS-PZSREKOKSA-N -1 0 341.810 3.674 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1ccccc1Cl)c1cc(F)ccc1F ZINC000788320139 939149956 /nfs/dbraw/zinc/14/99/56/939149956.db2.gz MGNIWOGAXRTOBS-CYBMUJFWSA-N -1 0 340.713 3.566 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2C)c(C)c1 ZINC000788320784 939150440 /nfs/dbraw/zinc/15/04/40/939150440.db2.gz FZYDJQSWXIXCOD-QGZVFWFLSA-N -1 0 326.396 3.868 20 0 EHADRM CC(C)c1cccc(-c2ccc(C(=O)NC3(C(=O)[O-])CCC3)o2)c1 ZINC000431816429 939161978 /nfs/dbraw/zinc/16/19/78/939161978.db2.gz WLFCDTNCXLSMGV-UHFFFAOYSA-N -1 0 327.380 3.807 20 0 EHADRM CCSc1ccc(C(=O)N[C@@](CC)(C(=O)[O-])c2ccccc2)cc1 ZINC000439901675 939203200 /nfs/dbraw/zinc/20/32/00/939203200.db2.gz ZPHGDPCQXDPPEV-LJQANCHMSA-N -1 0 343.448 3.919 20 0 EHADRM CCC[C@H](C)CC(=O)N[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000485202726 939218926 /nfs/dbraw/zinc/21/89/26/939218926.db2.gz BDVFHSYKXYUAEP-IINYFYTJSA-N -1 0 342.233 3.517 20 0 EHADRM CCCCC[C@H](C)CC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000829305111 939220597 /nfs/dbraw/zinc/22/05/97/939220597.db2.gz QYCXRZNATNKYDN-ZBEGNZNMSA-N -1 0 327.371 3.813 20 0 EHADRM C[C@H](CCc1ccc(F)cc1)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000864114851 939246606 /nfs/dbraw/zinc/24/66/06/939246606.db2.gz FQPJUIHPGLUMLS-VLIAUNLRSA-N -1 0 343.398 3.511 20 0 EHADRM C[C@](NC(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1)(C(=O)[O-])C1CC1 ZINC000887382966 939267191 /nfs/dbraw/zinc/26/71/91/939267191.db2.gz XSLVOSIAMCMYIY-SMDDNHRTSA-N -1 0 348.296 3.634 20 0 EHADRM Cc1cc(C)cc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000539570843 939282643 /nfs/dbraw/zinc/28/26/43/939282643.db2.gz VPZTUFZPLXGCHD-OAHLLOKOSA-N -1 0 335.762 3.652 20 0 EHADRM CCc1ccc(CC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC000540666364 939289075 /nfs/dbraw/zinc/28/90/75/939289075.db2.gz KMQQFQKANSWGDA-KRWDZBQOSA-N -1 0 349.789 3.526 20 0 EHADRM CC(C)(C)c1ccc(CCC(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000556553031 939307606 /nfs/dbraw/zinc/30/76/06/939307606.db2.gz FOPQRBUFTWDQBI-LJQANCHMSA-N -1 0 339.435 3.859 20 0 EHADRM C[C@](NC(=O)NC1CCCC1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000559354314 939312136 /nfs/dbraw/zinc/31/21/36/939312136.db2.gz UQIQGKFFALSUJC-OAHLLOKOSA-N -1 0 345.226 3.535 20 0 EHADRM Cc1cccc(Oc2ccc(NC(=O)N[C@@H](C(=O)[O-])C3CC3)cc2)c1 ZINC000562462028 939333802 /nfs/dbraw/zinc/33/38/02/939333802.db2.gz MHNOAFKUFBDPOQ-QGZVFWFLSA-N -1 0 340.379 3.772 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC000573699782 939720830 /nfs/dbraw/zinc/72/08/30/939720830.db2.gz OULKUTMPUINYAT-YESZJQIVSA-N -1 0 343.448 3.917 20 0 EHADRM C[C@@](NC(=O)Nc1cccc(CCC(F)(F)F)c1)(C(=O)[O-])C1CC1 ZINC000574186940 939724600 /nfs/dbraw/zinc/72/46/00/939724600.db2.gz LHQUNYIIBUXECH-HNNXBMFYSA-N -1 0 344.333 3.556 20 0 EHADRM Cc1oc2ccc(NC(=O)NC3(C(=O)[O-])CCSCC3)cc2c1C ZINC000574253775 939724929 /nfs/dbraw/zinc/72/49/29/939724929.db2.gz PHQBCLRDQACMLP-UHFFFAOYSA-N -1 0 348.424 3.522 20 0 EHADRM CCc1cc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)ccc1C ZINC000574354961 939725927 /nfs/dbraw/zinc/72/59/27/939725927.db2.gz AXNWWAISYBQWSU-QGZVFWFLSA-N -1 0 344.386 3.952 20 0 EHADRM CCC[C@H](C(=O)N[C@H](C(=O)[O-])c1cccnc1)c1cccc(Cl)c1 ZINC000910987613 939766049 /nfs/dbraw/zinc/76/60/49/939766049.db2.gz CBGQYLIFVJOSTQ-HOTGVXAUSA-N -1 0 346.814 3.561 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@H]1CCCC12CC2)c1ccc(C(F)(F)F)cc1 ZINC000911061297 939767905 /nfs/dbraw/zinc/76/79/05/939767905.db2.gz JCIGGBPADQYJEY-CHWSQXEVSA-N -1 0 341.329 3.528 20 0 EHADRM Cc1cc([C@@H](NC(=O)c2cccc(C3CC3)c2)C(=O)[O-])ccc1F ZINC000581320918 939777176 /nfs/dbraw/zinc/77/71/76/939777176.db2.gz RUSMUECITYANDO-QGZVFWFLSA-N -1 0 327.355 3.567 20 0 EHADRM CSc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2C)cc1 ZINC000581981472 939781374 /nfs/dbraw/zinc/78/13/74/939781374.db2.gz ORWIWTMNKDXSJA-MRXNPFEDSA-N -1 0 344.436 3.973 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1)c1ccco1 ZINC000630149178 939812741 /nfs/dbraw/zinc/81/27/41/939812741.db2.gz FSNUMMGPTWICGK-BJOHPYRUSA-N -1 0 339.750 3.508 20 0 EHADRM Cc1cc(C(F)F)oc1C(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1C ZINC000630188238 939814755 /nfs/dbraw/zinc/81/47/55/939814755.db2.gz FAWQCLNDVGGGEU-CYBMUJFWSA-N -1 0 337.322 3.698 20 0 EHADRM Cc1cc(C(F)F)oc1C(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC000630204093 939818128 /nfs/dbraw/zinc/81/81/28/939818128.db2.gz NUEIMFPAYHUEMY-ZDUSSCGKSA-N -1 0 337.322 3.698 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)N[C@@H](C(=O)[O-])C2CCCCCC2)c1 ZINC000653487570 939836319 /nfs/dbraw/zinc/83/63/19/939836319.db2.gz BIVRBJBZKQSELR-CXAGYDPISA-N -1 0 348.443 3.939 20 0 EHADRM Cc1cccc(Oc2ccc(NC(=O)[C@H](C(=O)[O-])C3CC3)cn2)c1C ZINC000656852337 939847270 /nfs/dbraw/zinc/84/72/70/939847270.db2.gz MTRQKHRQSAHDDW-QGZVFWFLSA-N -1 0 340.379 3.540 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1ccc(OC(F)F)c(Cl)c1)C1CCCC1 ZINC000663029768 939850623 /nfs/dbraw/zinc/85/06/23/939850623.db2.gz QDLFCJPIIPOPBV-LBPRGKRZSA-N -1 0 347.745 3.771 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1ccc(OC2CCC2)c(F)c1)C1CCCC1 ZINC000663094615 939854396 /nfs/dbraw/zinc/85/43/96/939854396.db2.gz DFLQHSPHMDLFQZ-MRXNPFEDSA-N -1 0 335.375 3.587 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1cccc(Oc2ccccn2)c1)C1CCCC1 ZINC000663098144 939854561 /nfs/dbraw/zinc/85/45/61/939854561.db2.gz NSALMMAPAQTDNF-KRWDZBQOSA-N -1 0 340.379 3.703 20 0 EHADRM O=C([O-])[C@@]1(NC(=O)Nc2cccc3ccccc32)CCc2ccccc21 ZINC000683921543 939871268 /nfs/dbraw/zinc/87/12/68/939871268.db2.gz RSBINBRECZSQOL-OAQYLSRUSA-N -1 0 346.386 3.888 20 0 EHADRM C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C1 ZINC000321654496 970794445 /nfs/dbraw/zinc/79/44/45/970794445.db2.gz LAYFLMHIIJEWHB-BBBLOLIVSA-N -1 0 326.343 3.561 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)c2ccc3ncsc3c2)cc1F ZINC000321915472 970825609 /nfs/dbraw/zinc/82/56/09/970825609.db2.gz XVUUXPUOJPOYLJ-UHFFFAOYSA-N -1 0 334.303 3.525 20 0 EHADRM C[C@@H](NC(=O)CC1(CC(=O)[O-])CCCC1)c1ccc(F)c(F)c1 ZINC000321941193 970828406 /nfs/dbraw/zinc/82/84/06/970828406.db2.gz FCLFNHLPIJEWDP-LLVKDONJSA-N -1 0 325.355 3.567 20 0 EHADRM O=C([O-])c1cccc(F)c1NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000321977982 970832715 /nfs/dbraw/zinc/83/27/15/970832715.db2.gz ZZGCBLNVDCTVIX-DTWKUNHWSA-N -1 0 333.281 3.831 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2ccc(C(F)(F)F)cc2)CCCC1 ZINC000322008358 970836410 /nfs/dbraw/zinc/83/64/10/970836410.db2.gz OOYPZXVUVXTABL-UHFFFAOYSA-N -1 0 330.306 3.614 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000322093117 970845976 /nfs/dbraw/zinc/84/59/76/970845976.db2.gz HSXXHZRAHLYMKV-LLVKDONJSA-N -1 0 349.374 3.918 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccccc2SC(F)(F)F)cn1 ZINC000322361154 970876589 /nfs/dbraw/zinc/87/65/89/970876589.db2.gz HZXJJRLVPSIDQN-UHFFFAOYSA-N -1 0 342.298 3.644 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)ccc1F ZINC000322461045 970889152 /nfs/dbraw/zinc/88/91/52/970889152.db2.gz HOKSFEOJAZMROJ-DTWKUNHWSA-N -1 0 333.281 3.831 20 0 EHADRM Cc1cc(C)nc(SCCOc2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC000322655872 970915805 /nfs/dbraw/zinc/91/58/05/970915805.db2.gz YWBYOXTZVXHMLA-YVMONPNESA-N -1 0 329.421 3.967 20 0 EHADRM O=C([O-])C1CCC(NC(=O)C[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001601249051 970966056 /nfs/dbraw/zinc/96/60/56/970966056.db2.gz FASNHWAHSZMTSU-GMKTYKIGSA-N -1 0 335.366 3.505 20 0 EHADRM Cn1cc(CNc2cccc(CCC(=O)[O-])c2)c(-c2ccccc2)n1 ZINC001611277456 970966441 /nfs/dbraw/zinc/96/64/41/970966441.db2.gz HASUKWKKEYFICH-UHFFFAOYSA-N -1 0 335.407 3.716 20 0 EHADRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1Cc2ccccc21 ZINC000323201099 970975449 /nfs/dbraw/zinc/97/54/49/970975449.db2.gz KNJAIKMGWMUJSH-SNVBAGLBSA-N -1 0 332.743 3.698 20 0 EHADRM Cc1cccc(CCNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC000323355301 970994712 /nfs/dbraw/zinc/99/47/12/970994712.db2.gz ZZAOGPSLDLRWBS-UHFFFAOYSA-N -1 0 334.759 3.909 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCc3ccc(F)cc32)cc1Cl ZINC000323542007 971015359 /nfs/dbraw/zinc/01/53/59/971015359.db2.gz DWMFTAAIPILYNJ-UHFFFAOYSA-N -1 0 334.734 3.772 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1cnn(-c2ccccc2Cl)c1 ZINC001601635110 971035750 /nfs/dbraw/zinc/03/57/50/971035750.db2.gz RGXYRHFBDKJUAB-UHFFFAOYSA-N -1 0 347.783 3.538 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)NC(C2CCCCC2)C2CCCCC2)C1 ZINC001601822075 971054969 /nfs/dbraw/zinc/05/49/69/971054969.db2.gz TWGALEGQNOTFFN-MRXNPFEDSA-N -1 0 336.476 3.632 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccc(CC(=O)[O-])cc2)o1 ZINC000324003223 971072496 /nfs/dbraw/zinc/07/24/96/971072496.db2.gz GQEFMGOKMSOZDT-WBMJQRKESA-N -1 0 327.380 3.601 20 0 EHADRM Cc1c(C(=O)[O-])cc(CNc2cccc(OC(F)(F)F)c2)n1C ZINC000324019456 971074778 /nfs/dbraw/zinc/07/47/78/971074778.db2.gz NJMKVFBMLGGTOO-UHFFFAOYSA-N -1 0 328.290 3.542 20 0 EHADRM Cc1ccccc1OCCCC(=O)Nc1ccc(C(=O)[O-])cc1C ZINC000324064418 971079470 /nfs/dbraw/zinc/07/94/70/971079470.db2.gz FBNSLNKWYGDCCT-UHFFFAOYSA-N -1 0 327.380 3.799 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)NC[C@@H]2C[C@H]2c2ccccc2)c1 ZINC001602041608 971125255 /nfs/dbraw/zinc/12/52/55/971125255.db2.gz GZSSCPIZXUBYNV-WMZOPIPTSA-N -1 0 338.407 3.629 20 0 EHADRM Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])Cc3ccccc32)cc1Cl ZINC000324501922 971126646 /nfs/dbraw/zinc/12/66/46/971126646.db2.gz LIPUORGBKAOZPA-AWEZNQCLSA-N -1 0 329.783 3.552 20 0 EHADRM Cc1cccc(CSCC(=O)NCC2(CC(=O)[O-])CCCCC2)c1 ZINC000324664966 971145544 /nfs/dbraw/zinc/14/55/44/971145544.db2.gz FBMIWJCAUPGLHN-UHFFFAOYSA-N -1 0 349.496 3.770 20 0 EHADRM O=C([O-])c1ccc([N+](=O)[O-])c(Sc2ccc3c(c2)OCCCO3)c1 ZINC000325247995 971197273 /nfs/dbraw/zinc/19/72/73/971197273.db2.gz GFSXESWEONZQGL-UHFFFAOYSA-N -1 0 347.348 3.606 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000325258780 971198106 /nfs/dbraw/zinc/19/81/06/971198106.db2.gz NBQPCALGYHKNDZ-CGTJXYLNSA-N -1 0 329.440 3.650 20 0 EHADRM O=C([O-])Cc1ccccc1CNC(=O)c1cc2c(cccc2F)s1 ZINC000325303673 971203404 /nfs/dbraw/zinc/20/34/04/971203404.db2.gz QJJDCXWUXAVOIL-UHFFFAOYSA-N -1 0 343.379 3.598 20 0 EHADRM O=C([O-])Cc1ccccc1CNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000325354145 971206765 /nfs/dbraw/zinc/20/67/65/971206765.db2.gz LOIFHXOEJJAQIU-BFYDXBDKSA-N -1 0 329.440 3.536 20 0 EHADRM COc1ccc(NC(=O)N(C)Cc2cccc(Cl)c2)c(C(=O)[O-])c1 ZINC000325428911 971214351 /nfs/dbraw/zinc/21/43/51/971214351.db2.gz YZCJCXZDEKHORY-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM COc1ccc(NC(=O)N2CCC3(CCCC3)CC2)c(C(=O)[O-])c1 ZINC000325444663 971216954 /nfs/dbraw/zinc/21/69/54/971216954.db2.gz VQYMVAVVRZYSQO-UHFFFAOYSA-N -1 0 332.400 3.582 20 0 EHADRM CCCCOc1ccc(C(=O)NC2(CC(=O)[O-])CCCCC2)cc1 ZINC000325481107 971219341 /nfs/dbraw/zinc/21/93/41/971219341.db2.gz BRCZHNOQAACSQQ-UHFFFAOYSA-N -1 0 333.428 3.773 20 0 EHADRM CSc1cccc(NC(=O)N2CCc3c(cccc3C(=O)[O-])C2)c1 ZINC000325549593 971226411 /nfs/dbraw/zinc/22/64/11/971226411.db2.gz DEPDNSRUYDAPPK-UHFFFAOYSA-N -1 0 342.420 3.697 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc(Cl)nc2ccccc21)C1CCCCC1 ZINC000326101175 971267124 /nfs/dbraw/zinc/26/71/24/971267124.db2.gz XHMOTWYIAZOSPX-MRXNPFEDSA-N -1 0 346.814 3.652 20 0 EHADRM CCc1ccc(NC(=O)NC[C@H](C(=O)[O-])c2ccccc2)cc1C ZINC000326419395 971291843 /nfs/dbraw/zinc/29/18/43/971291843.db2.gz QRSCDTOQGHXFGV-KRWDZBQOSA-N -1 0 326.396 3.547 20 0 EHADRM C[C@@H](CCc1ccccc1)NC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000326855737 971336073 /nfs/dbraw/zinc/33/60/73/971336073.db2.gz RSKFFXBAEJSAJN-RDJZCZTQSA-N -1 0 346.471 3.540 20 0 EHADRM CCCCc1ccc(CC(=O)N(C)C2(C(=O)[O-])CCCCC2)cc1 ZINC000326793049 971328044 /nfs/dbraw/zinc/32/80/44/971328044.db2.gz YAQSGYGPYWCMNC-UHFFFAOYSA-N -1 0 331.456 3.818 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)c2cccc(-n3cccc3)c2)cc1F ZINC000326859178 971337111 /nfs/dbraw/zinc/33/71/11/971337111.db2.gz SUYJLVKTUBXGLO-UHFFFAOYSA-N -1 0 342.301 3.706 20 0 EHADRM CCCOc1ccc(NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000326983741 971353326 /nfs/dbraw/zinc/35/33/26/971353326.db2.gz WMRAZCMCQXODES-UHFFFAOYSA-N -1 0 340.379 3.721 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc3c(c2)CCCC3)c2ccccc21 ZINC000326988664 971354475 /nfs/dbraw/zinc/35/44/75/971354475.db2.gz XQMSIRCZJFEWGG-GOSISDBHSA-N -1 0 335.403 3.784 20 0 EHADRM Cc1cccc(OCCCC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000326994975 971354649 /nfs/dbraw/zinc/35/46/49/971354649.db2.gz VEXRJSJNVHIITR-INIZCTEOSA-N -1 0 347.455 3.503 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H]1NC(=O)Nc1ccccc1Oc1ccccc1 ZINC000327469446 971401285 /nfs/dbraw/zinc/40/12/85/971401285.db2.gz FXCLNYATCZPIKO-HUUCEWRRSA-N -1 0 340.379 3.854 20 0 EHADRM COc1cc(NC(=O)N(C)[C@H](C)c2ccccc2F)ccc1C(=O)[O-] ZINC000327894769 971432196 /nfs/dbraw/zinc/43/21/96/971432196.db2.gz GNIFEYZZMFCZSZ-LLVKDONJSA-N -1 0 346.358 3.757 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)ccc2[nH]1 ZINC000328096430 971446565 /nfs/dbraw/zinc/44/65/65/971446565.db2.gz ZWMKFDRIEYHANK-NWDGAFQWSA-N -1 0 343.427 3.690 20 0 EHADRM CC[C@H](NC(=O)c1cccc(C(=O)[O-])c1)c1nc(-c2ccccc2)c[nH]1 ZINC001589568701 948890900 /nfs/dbraw/zinc/89/09/00/948890900.db2.gz PIHKWDSKLSNRPP-INIZCTEOSA-N -1 0 349.390 3.656 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1ccc(-n2cnc3ccccc32)cc1 ZINC000342520475 971517588 /nfs/dbraw/zinc/51/75/88/971517588.db2.gz HFDOGONQSGQYIW-UHFFFAOYSA-N -1 0 337.379 3.609 20 0 EHADRM Cc1cc2cc(C(=O)N3Cc4ccccc4[C@@H](C(=O)[O-])C3)oc2cc1C ZINC000347366276 971525271 /nfs/dbraw/zinc/52/52/71/971525271.db2.gz MDVRKZOBJVJINW-KRWDZBQOSA-N -1 0 349.386 3.874 20 0 EHADRM Cc1ccc(SCCC(=O)NC2(C(=O)[O-])CCCCC2)cc1C ZINC000060796945 948943477 /nfs/dbraw/zinc/94/34/77/948943477.db2.gz XJQPPYFBSSQDMU-UHFFFAOYSA-N -1 0 335.469 3.689 20 0 EHADRM CCCC[C@@H](NC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000347256049 971521727 /nfs/dbraw/zinc/52/17/27/971521727.db2.gz DXQZXQNGYDWCTR-BXUZGUMPSA-N -1 0 345.361 3.644 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000062869509 948956764 /nfs/dbraw/zinc/95/67/64/948956764.db2.gz PNDYRACTLQVNRX-HNNXBMFYSA-N -1 0 330.211 3.710 20 0 EHADRM CCCC[C@@H](NC(=O)[C@H](SCc1ccccc1)C(C)C)C(=O)[O-] ZINC000347260304 971522029 /nfs/dbraw/zinc/52/20/29/971522029.db2.gz MGSSVYLEXNGXPS-HZPDHXFCSA-N -1 0 337.485 3.704 20 0 EHADRM CCCC[C@H](NC(=O)[C@H]1C[C@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000347274795 971523042 /nfs/dbraw/zinc/52/30/42/971523042.db2.gz ZZETUBIKOXTKGM-BZSNNMDCSA-N -1 0 325.408 3.703 20 0 EHADRM CCCC[C@@H](CC)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000347437458 971526329 /nfs/dbraw/zinc/52/63/29/971526329.db2.gz YBWBMUUICFANEZ-RDTXWAMCSA-N -1 0 344.455 3.886 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000349493097 971527775 /nfs/dbraw/zinc/52/77/75/971527775.db2.gz OFIUUXJHXGONMG-UHFFFAOYSA-N -1 0 336.347 3.508 20 0 EHADRM Cc1ccc2c(c1)[C@H](NC(=O)CC1(CC(=O)[O-])CCCC1)CCC2 ZINC000352206198 971528595 /nfs/dbraw/zinc/52/85/95/971528595.db2.gz LEUOOMFQCYSSKJ-QGZVFWFLSA-N -1 0 329.440 3.914 20 0 EHADRM CCCN(C(=O)c1cc(C(=O)[O-])co1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000352390202 971528885 /nfs/dbraw/zinc/52/88/85/971528885.db2.gz CLLPKKMFDUBNRI-JKSUJKDBSA-N -1 0 349.427 3.568 20 0 EHADRM CS[C@@H](C(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccccc1 ZINC000353170444 971529115 /nfs/dbraw/zinc/52/91/15/971529115.db2.gz XPTFUPMVOMLXLJ-QGZVFWFLSA-N -1 0 329.421 3.747 20 0 EHADRM CCCCc1nc2cc(NC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)ccc2[nH]1 ZINC000353961124 971529884 /nfs/dbraw/zinc/52/98/84/971529884.db2.gz MRSPQWIRQMAPPA-OLZOCXBDSA-N -1 0 343.427 3.735 20 0 EHADRM CC[C@H](SC)C(=O)Nc1sc2c(c1C(=O)[O-])C[C@H](C)O[C@@H]2C ZINC001589585623 949043029 /nfs/dbraw/zinc/04/30/29/949043029.db2.gz QXYJRYRIZRNKEB-XKSSXDPKSA-N -1 0 343.470 3.549 20 0 EHADRM CC[C@H](SC)C(=O)Nc1sc2c(c1C(=O)[O-])C[C@H](C)O[C@H]2C ZINC001589585621 949043988 /nfs/dbraw/zinc/04/39/88/949043988.db2.gz QXYJRYRIZRNKEB-NRPADANISA-N -1 0 343.470 3.549 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)N[C@@H](c2ccccc2)C(C)C)C1 ZINC001589596268 949147901 /nfs/dbraw/zinc/14/79/01/949147901.db2.gz JJWIFRNZNXAAMZ-APWZRJJASA-N -1 0 332.444 3.670 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2cccc(-c3ccoc3)c2)Cc2ccccc21 ZINC000372963343 971558610 /nfs/dbraw/zinc/55/86/10/971558610.db2.gz YKJKAUJPPASVNB-IBGZPJMESA-N -1 0 347.370 3.771 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(C(C)(F)F)cc2)C1 ZINC001589603470 949208894 /nfs/dbraw/zinc/20/88/94/949208894.db2.gz OFIUYYBODMTVHC-QGZVFWFLSA-N -1 0 325.355 3.515 20 0 EHADRM CC[C@@]1(C)Oc2ccc(NC(=O)/C=C/c3ccc(C(=O)[O-])o3)cc2O1 ZINC001589611064 949322292 /nfs/dbraw/zinc/32/22/92/949322292.db2.gz UVHCNEKQZNMUMV-YOCVDRLZSA-N -1 0 343.335 3.527 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(Cl)nc(C3CC3)c2)c(F)c1 ZINC001595236946 949415654 /nfs/dbraw/zinc/41/56/54/949415654.db2.gz MWAAGOUGCVLKJA-UHFFFAOYSA-N -1 0 334.734 3.702 20 0 EHADRM CCC(CC)(CNC(=O)Cc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000164993615 949418936 /nfs/dbraw/zinc/41/89/36/949418936.db2.gz RDTIHTNPHNFHKK-UHFFFAOYSA-N -1 0 332.227 3.543 20 0 EHADRM CC[C@@H]1CCc2c(sc(NC(=O)[C@@H](C)SC)c2C(=O)[O-])C1 ZINC001589622666 949437084 /nfs/dbraw/zinc/43/70/84/949437084.db2.gz LLXJTARORFGXLM-RKDXNWHRSA-N -1 0 327.471 3.651 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cc(-c3c[nH]c4ccccc34)[nH]n2)c1 ZINC001595249418 949541377 /nfs/dbraw/zinc/54/13/77/949541377.db2.gz FOCZZAQDKOYTPM-UHFFFAOYSA-N -1 0 346.346 3.509 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)c2ccc(SC(F)(F)F)cc2)C1 ZINC000379050975 971594633 /nfs/dbraw/zinc/59/46/33/971594633.db2.gz LMAFQMQENZLINB-KOLCDFICSA-N -1 0 347.358 3.672 20 0 EHADRM O=C([O-])c1cncc(NC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)c1 ZINC001595270365 949819823 /nfs/dbraw/zinc/81/98/23/949819823.db2.gz BFRCCKBNZOYTFG-ROUUACIJSA-N -1 0 332.359 3.675 20 0 EHADRM O=C([O-])c1cncc(NC(=O)[C@H]2CC[C@H]2c2ccc(Cl)cc2F)c1 ZINC001595271751 949837964 /nfs/dbraw/zinc/83/79/64/949837964.db2.gz XSLNNFXKCGJOHC-JSGCOSHPSA-N -1 0 348.761 3.705 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)Nc1ccccc1N1CCCCCC1)C1CC1 ZINC001602815155 971613963 /nfs/dbraw/zinc/61/39/63/971613963.db2.gz NNQDPKCKVOGAJP-CQSZACIVSA-N -1 0 345.443 3.536 20 0 EHADRM Cc1ccc(-c2nc(C(=O)Nc3cccc(C(=O)[O-])c3)cs2)o1 ZINC000237756610 949976157 /nfs/dbraw/zinc/97/61/57/949976157.db2.gz UZHIFSILUNTKQT-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM Cc1cc(NC(=O)c2csc(-c3ccco3)n2)ccc1C(=O)[O-] ZINC000237842848 949978166 /nfs/dbraw/zinc/97/81/66/949978166.db2.gz WDRBAQWPJXYQPI-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000379258390 971624629 /nfs/dbraw/zinc/62/46/29/971624629.db2.gz GGWYFGYSZFSQBI-SCZZXKLOSA-N -1 0 332.278 3.669 20 0 EHADRM O=C([O-])[C@@H]1CCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000261788691 950048650 /nfs/dbraw/zinc/04/86/50/950048650.db2.gz SROSLEPSBQEDGN-SECBINFHSA-N -1 0 341.251 3.631 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)CC1CCC(c2ccccc2)CC1 ZINC000262773894 950166314 /nfs/dbraw/zinc/16/63/14/950166314.db2.gz AOUJIRNIAPBOSU-SYNTWQANSA-N -1 0 329.440 3.720 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccccc1 ZINC000262912789 950185778 /nfs/dbraw/zinc/18/57/78/950185778.db2.gz DTZSLYODJUBFRS-DNVCBOLYSA-N -1 0 332.444 3.670 20 0 EHADRM C[C@@H]1CN(C(=O)CSc2ccc3ccccc3c2)CC[C@@H]1C(=O)[O-] ZINC000262906200 950186266 /nfs/dbraw/zinc/18/62/66/950186266.db2.gz IKKMIMMMFBNQTR-DYVFJYSZSA-N -1 0 343.448 3.501 20 0 EHADRM CCN(C(=O)[C@@H](C(=O)[O-])C1CCCC1)c1nc2ccccc2s1 ZINC001589697770 950190285 /nfs/dbraw/zinc/19/02/85/950190285.db2.gz CKBJHSZIODEEQU-AWEZNQCLSA-N -1 0 332.425 3.540 20 0 EHADRM CC(C)c1cc(C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)c2ccccc2n1 ZINC000262952014 950198744 /nfs/dbraw/zinc/19/87/44/950198744.db2.gz LIFPHMUXUOODJI-ZIAGYGMSSA-N -1 0 340.423 3.541 20 0 EHADRM CCN(C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)[C@@H](C)C(=O)[O-] ZINC001589698294 950200859 /nfs/dbraw/zinc/20/08/59/950200859.db2.gz ANRHIDWNHXVNOZ-WYDVEAGSSA-N -1 0 349.736 3.694 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000263119264 950274988 /nfs/dbraw/zinc/27/49/88/950274988.db2.gz FAWRHAURHRQWLI-WEZQJLTASA-N -1 0 337.419 3.655 20 0 EHADRM Cc1ccc(Oc2ccccc2NC(=O)N2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000263465990 950476230 /nfs/dbraw/zinc/47/62/30/950476230.db2.gz GGBPSNRSCUKCJJ-CQSZACIVSA-N -1 0 340.379 3.726 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN1C(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000263504280 950497076 /nfs/dbraw/zinc/49/70/76/950497076.db2.gz ZQOHUTRKDRHIKW-LJQANCHMSA-N -1 0 345.345 3.711 20 0 EHADRM CCN(Cc1c(F)cccc1F)C(=O)C1(C(=O)[O-])CCCCCC1 ZINC001589736312 950537484 /nfs/dbraw/zinc/53/74/84/950537484.db2.gz OAUQAXSQVWTQOV-UHFFFAOYSA-N -1 0 339.382 3.739 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC[C@H]1C(=O)[O-] ZINC000313753306 950797897 /nfs/dbraw/zinc/79/78/97/950797897.db2.gz GMOABQPUALHSPV-PSASIEDQSA-N -1 0 331.199 3.568 20 0 EHADRM C[C@@H]1CCCN(C(=O)CCSc2ccccc2Cl)[C@H]1C(=O)[O-] ZINC000318655005 950932134 /nfs/dbraw/zinc/93/21/34/950932134.db2.gz GQDQMZFZRKYHQO-IAQYHMDHSA-N -1 0 341.860 3.534 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)CCCOc1ccc(F)cc1 ZINC000324006968 951058586 /nfs/dbraw/zinc/05/85/86/951058586.db2.gz HXASCKDTEAYAMD-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM C[C@@H]1CCCN(C(=O)c2ccc(SC(F)(F)F)cc2)[C@H]1C(=O)[O-] ZINC000324393976 951068748 /nfs/dbraw/zinc/06/87/48/951068748.db2.gz NBSKZFCSOAUJFW-BXKDBHETSA-N -1 0 347.358 3.624 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)CSc2ccc(F)cc2)c2ccccc21 ZINC000325345506 951083133 /nfs/dbraw/zinc/08/31/33/951083133.db2.gz DLOFWEXRGVZWJM-HNNXBMFYSA-N -1 0 345.395 3.523 20 0 EHADRM CCC(CC)(CNC(=O)NCc1cccc2ccccc21)C(=O)[O-] ZINC000325412739 951084336 /nfs/dbraw/zinc/08/43/36/951084336.db2.gz LEAWGFFXGNBPIT-UHFFFAOYSA-N -1 0 328.412 3.530 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2csc(-c3ccoc3)n2)c1 ZINC000344038494 951133397 /nfs/dbraw/zinc/13/33/97/951133397.db2.gz UYXFEMABSBYZBV-UHFFFAOYSA-N -1 0 342.376 3.673 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)CCc1ccc2ccccc2n1)C(=O)[O-] ZINC001602861318 971719691 /nfs/dbraw/zinc/71/96/91/971719691.db2.gz RSOKEJOJUOZYPA-KRWDZBQOSA-N -1 0 342.439 3.563 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCSc2ccccc2Cl)ccn1 ZINC000387362277 951315853 /nfs/dbraw/zinc/31/58/53/951315853.db2.gz DOAPSTXVSMVDPT-UHFFFAOYSA-N -1 0 336.800 3.554 20 0 EHADRM CCOc1ccc(Cl)c(NC(=O)c2coc(/C=C/C(=O)[O-])c2)c1 ZINC001592663077 951342804 /nfs/dbraw/zinc/34/28/04/951342804.db2.gz CWXSSHYQDYTUTJ-GQCTYLIASA-N -1 0 335.743 3.682 20 0 EHADRM CCOc1ccc(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1Cl ZINC001592691244 951348960 /nfs/dbraw/zinc/34/89/60/951348960.db2.gz DAPYKKCKKMTMLY-VMPITWQZSA-N -1 0 335.743 3.682 20 0 EHADRM CCOc1ccccc1NC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001593063746 951403943 /nfs/dbraw/zinc/40/39/43/951403943.db2.gz TYWIGWBCNVQEPT-GDBMZVCRSA-N -1 0 340.379 3.520 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1ccc(Nc2ccccc2)cn1 ZINC001595038585 951415656 /nfs/dbraw/zinc/41/56/56/951415656.db2.gz NMQBFZYCQVQQAM-UHFFFAOYSA-N -1 0 342.399 3.592 20 0 EHADRM O=C([O-])CCc1nc(-c2cccc(Oc3ccc(Cl)cc3)n2)no1 ZINC001595066636 951554224 /nfs/dbraw/zinc/55/42/24/951554224.db2.gz QWCHXPBTQHXVEI-UHFFFAOYSA-N -1 0 345.742 3.595 20 0 EHADRM CC(C)C[C@H](CNc1cccc(Br)c1[N+](=O)[O-])C(=O)[O-] ZINC000383908214 971902429 /nfs/dbraw/zinc/90/24/29/971902429.db2.gz OMLZQZJFEXTDEC-SECBINFHSA-N -1 0 345.193 3.516 20 0 EHADRM O=C([O-])c1ccc(CNc2ccc3c(c2)CCO3)c(Br)c1 ZINC000384021753 971906857 /nfs/dbraw/zinc/90/68/57/971906857.db2.gz ZRDYZCJOHIKIIS-UHFFFAOYSA-N -1 0 348.196 3.694 20 0 EHADRM CC(C)(CCNC(=O)N[C@H]1CCC(C)(C)c2ccccc21)C(=O)[O-] ZINC001602940620 971908914 /nfs/dbraw/zinc/90/89/14/971908914.db2.gz KLLRUYIFLXXOHB-HNNXBMFYSA-N -1 0 332.444 3.599 20 0 EHADRM O=C([O-])c1ccc(Br)c(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000403254422 953367955 /nfs/dbraw/zinc/36/79/55/953367955.db2.gz VQSUNTBBXYKBJL-FXPVBKGRSA-N -1 0 338.201 3.522 20 0 EHADRM CCSc1ccccc1CC(=O)NC1(CC(=O)[O-])CCCCC1 ZINC001593598777 953392961 /nfs/dbraw/zinc/39/29/61/953392961.db2.gz WVXZMRJMKNGUKL-UHFFFAOYSA-N -1 0 335.469 3.635 20 0 EHADRM O=C([O-])CCCCCNC(=O)NC1CCC(c2ccccc2)CC1 ZINC000414604686 953396538 /nfs/dbraw/zinc/39/65/38/953396538.db2.gz XTVZYLKBIASMLM-UHFFFAOYSA-N -1 0 332.444 3.657 20 0 EHADRM CC[C@@H](NC(=O)N1CCC[C@](CC)(C(=O)[O-])C1)c1ccc(F)cc1 ZINC001593602652 953412551 /nfs/dbraw/zinc/41/25/51/953412551.db2.gz AVOUNEACHVUHDC-QAPCUYQASA-N -1 0 336.407 3.563 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc(C(F)(F)F)cc2Cl)C1 ZINC001589274287 953445918 /nfs/dbraw/zinc/44/59/18/953445918.db2.gz CRFLQDSTHLVORS-BDAKNGLRSA-N -1 0 349.736 3.542 20 0 EHADRM O=C([O-])[C@H]1CCCCN1C(=O)CCCn1ccc2cc(Cl)ccc21 ZINC000431174180 953500798 /nfs/dbraw/zinc/50/07/98/953500798.db2.gz ZVAPUZZEPJRHRH-MRXNPFEDSA-N -1 0 348.830 3.541 20 0 EHADRM C[C@H](CC(=O)Nc1cccc(CC(=O)[O-])c1)c1ccc(F)cc1F ZINC000431789878 953502576 /nfs/dbraw/zinc/50/25/76/953502576.db2.gz DBUHDZMXNRPMBZ-LLVKDONJSA-N -1 0 333.334 3.724 20 0 EHADRM O=C([O-])C1CCC(NC(=O)N2CCC[C@H]2/C=C\c2ccccc2)CC1 ZINC000516421934 953540457 /nfs/dbraw/zinc/54/04/57/953540457.db2.gz MVRXPLUFEBQCTJ-YYLWRXBLSA-N -1 0 342.439 3.517 20 0 EHADRM CC(C)(c1ccccc1)C1(NC(=O)c2coc(/C=C\C(=O)[O-])c2)CC1 ZINC001602958980 971938832 /nfs/dbraw/zinc/93/88/32/971938832.db2.gz MQZSETOGYNWHSX-HJWRWDBZSA-N -1 0 339.391 3.618 20 0 EHADRM O=C([O-])CC1(NC(=O)COc2ccc3ccccc3c2)CCCCC1 ZINC000532256697 953562547 /nfs/dbraw/zinc/56/25/47/953562547.db2.gz PBOIDOOOSVOHJO-UHFFFAOYSA-N -1 0 341.407 3.512 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC001594772025 953570577 /nfs/dbraw/zinc/57/05/77/953570577.db2.gz NGVAIMJZAFECMG-UHFFFAOYSA-N -1 0 339.322 3.714 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)c1 ZINC000557965773 953585693 /nfs/dbraw/zinc/58/56/93/953585693.db2.gz DPXVJUOGSKCGQR-UHFFFAOYSA-N -1 0 339.269 3.578 20 0 EHADRM CCc1ccc(C(C)(C)C(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000562507064 953591206 /nfs/dbraw/zinc/59/12/06/953591206.db2.gz DLOIINAKGMQWJD-UHFFFAOYSA-N -1 0 331.456 3.630 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000566181954 953619716 /nfs/dbraw/zinc/61/97/16/953619716.db2.gz SYZXKJWPZMQKHS-NJZAAPMLSA-N -1 0 344.411 3.554 20 0 EHADRM C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C[C@@H](c2ccccc2)C1 ZINC001589293706 953624192 /nfs/dbraw/zinc/62/41/92/953624192.db2.gz QUEBNLSVTMQGEN-ITWBUVANSA-N -1 0 344.455 3.511 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CCC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])o1 ZINC001589295236 953640236 /nfs/dbraw/zinc/64/02/36/953640236.db2.gz FFAZCXLRPGNLBQ-BPLDGKMQSA-N -1 0 335.444 3.731 20 0 EHADRM CCc1cccc2c1N(C(=O)/C=C\c1ccc(C(=O)[O-])o1)CCC2 ZINC001593641757 953646696 /nfs/dbraw/zinc/64/66/96/953646696.db2.gz GFKLAQBDNFUWBV-LUAWRHEFSA-N -1 0 325.364 3.533 20 0 EHADRM CCCc1ccc([C@@H](NC(=O)[C@H](C)C(=O)[O-])c2cccs2)cc1 ZINC000569574393 953649901 /nfs/dbraw/zinc/64/99/01/953649901.db2.gz AZVWGMXRRMEKNT-BLLLJJGKSA-N -1 0 331.437 3.627 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1ccc2ccnc(Cl)c2c1 ZINC001589302958 953703780 /nfs/dbraw/zinc/70/37/80/953703780.db2.gz CILSBNAEXWJAAT-PWSUYJOCSA-N -1 0 347.802 3.605 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000582063113 953721977 /nfs/dbraw/zinc/72/19/77/953721977.db2.gz PMUSDDSQPGTSQV-TVQRCGJNSA-N -1 0 335.400 3.532 20 0 EHADRM O=C([O-])[C@@H]1CCN(CCCOCCc2ccccc2)c2ccccc21 ZINC000583985128 953730927 /nfs/dbraw/zinc/73/09/27/953730927.db2.gz RKBWJRGXUGHJCS-LJQANCHMSA-N -1 0 339.435 3.714 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1cccc2c1OC(C)(C)C=C2 ZINC001589305386 953733800 /nfs/dbraw/zinc/73/38/00/953733800.db2.gz POVLSUHUAQFUME-GXTWGEPZSA-N -1 0 344.411 3.588 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1cc(Cl)ccc1F)c1ccc(F)cc1 ZINC001594801616 953740762 /nfs/dbraw/zinc/74/07/62/953740762.db2.gz IFPIFVLBETVBPR-ZDUSSCGKSA-N -1 0 340.713 3.566 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1cccc(F)c1C(C)(F)F ZINC001589306599 953747969 /nfs/dbraw/zinc/74/79/69/953747969.db2.gz VAXWIVMPLMHOEG-UWVGGRQHSA-N -1 0 344.333 3.654 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)c1 ZINC001594802435 953752659 /nfs/dbraw/zinc/75/26/59/953752659.db2.gz XOHDSHAEUAXMAM-MRXNPFEDSA-N -1 0 343.358 3.582 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)Nc2ccc3ccccc3n2)c2ccccc21 ZINC001594806578 953784380 /nfs/dbraw/zinc/78/43/80/953784380.db2.gz RFCNGOFDJACCTC-RDJZCZTQSA-N -1 0 347.374 3.670 20 0 EHADRM O=C([O-])CCCCCNC(=O)N[C@H]1CCCc2ccc(Cl)cc21 ZINC000626767054 953816487 /nfs/dbraw/zinc/81/64/87/953816487.db2.gz YFOTXJHUDFFKPA-HNNXBMFYSA-N -1 0 338.835 3.662 20 0 EHADRM O=C([O-])c1cc(C(=O)Nc2cccc(Sc3ccccc3)c2)[nH]n1 ZINC001594810935 953818598 /nfs/dbraw/zinc/81/85/98/953818598.db2.gz CXFZIBIGLYXQMI-UHFFFAOYSA-N -1 0 339.376 3.511 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)Nc2cccc3cccnc32)c2ccccc21 ZINC001594811450 953829013 /nfs/dbraw/zinc/82/90/13/953829013.db2.gz SZRTUHNKSBXHGQ-DOTOQJQBSA-N -1 0 347.374 3.670 20 0 EHADRM O=C([O-])CC1(NC(=O)Cc2cc(Cl)cc3ccccc32)CCC1 ZINC000630133596 953839066 /nfs/dbraw/zinc/83/90/66/953839066.db2.gz YTUPLMINNKVRMT-UHFFFAOYSA-N -1 0 331.799 3.549 20 0 EHADRM C[C@@H]1CCCC[C@]1(C)NC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001589318882 953841302 /nfs/dbraw/zinc/84/13/02/953841302.db2.gz BOVYIVZBPXDAGM-XIEZEKGWSA-N -1 0 330.428 3.568 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000643425307 953901858 /nfs/dbraw/zinc/90/18/58/953901858.db2.gz GTJNXENFBKOMAO-STQMWFEESA-N -1 0 348.443 3.567 20 0 EHADRM O=C([O-])c1c(NC(=O)c2cc3ccccc3o2)sc2c1COCC2 ZINC001594822172 953908434 /nfs/dbraw/zinc/90/84/34/953908434.db2.gz MXEPQCQPPMMSLE-UHFFFAOYSA-N -1 0 343.360 3.518 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000647694760 953965139 /nfs/dbraw/zinc/96/51/39/953965139.db2.gz TVRWTMNXDBZJLI-YOEHRIQHSA-N -1 0 348.443 3.686 20 0 EHADRM C[C@@H](CC(=O)N[C@H]1CCC[C@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000648353185 953984671 /nfs/dbraw/zinc/98/46/71/953984671.db2.gz IGIIBEOWZGDQGU-GDLCADMTSA-N -1 0 343.345 3.569 20 0 EHADRM CC[C@H](C)[C@@H](C)N(C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)C1CC1 ZINC000652111337 954071746 /nfs/dbraw/zinc/07/17/46/954071746.db2.gz SZLQMWWYGURNOX-BXTJHSDWSA-N -1 0 346.471 3.638 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000653340728 954174051 /nfs/dbraw/zinc/17/40/51/954174051.db2.gz PIZYGURTXKWBBD-GWCFXTLKSA-N -1 0 331.334 3.521 20 0 EHADRM Cc1csc(-c2ccc(NC(=O)NC[C@@H](C(=O)[O-])C(C)C)cc2)n1 ZINC000653538144 954186757 /nfs/dbraw/zinc/18/67/57/954186757.db2.gz SSKXQDVVNLSITM-CQSZACIVSA-N -1 0 347.440 3.597 20 0 EHADRM C[C@H]1CN(C(=O)[C@H](C(=O)[O-])C2CCCC2)CCc2ccc(Cl)cc21 ZINC001589366007 954194907 /nfs/dbraw/zinc/19/49/07/954194907.db2.gz DZUXKFVMTWXXSS-YVEFUNNKSA-N -1 0 349.858 3.719 20 0 EHADRM O=C([O-])[C@]1(C(=O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)CC=CCC1 ZINC001594853931 954208575 /nfs/dbraw/zinc/20/85/75/954208575.db2.gz AJXANZYBPXTZHW-FXAWDEMLSA-N -1 0 343.398 3.689 20 0 EHADRM O=C([O-])C1(C(=O)N[C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CCC1 ZINC001594854709 954215796 /nfs/dbraw/zinc/21/57/96/954215796.db2.gz UAXNPZRZPHNOCY-HIFRSBDPSA-N -1 0 335.831 3.737 20 0 EHADRM CSCC1CCC(NC(=O)Nc2cc(C(=O)[O-])ccc2C)CC1 ZINC000385392920 971998305 /nfs/dbraw/zinc/99/83/05/971998305.db2.gz SZEISXHTYDILLB-UHFFFAOYSA-N -1 0 336.457 3.737 20 0 EHADRM CC(C)C[C@]1(C)CCCN1C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655900081 954281094 /nfs/dbraw/zinc/28/10/94/954281094.db2.gz OHBVJEMWEHLVOH-GJRWTSMGSA-N -1 0 338.492 3.732 20 0 EHADRM O=C([O-])C1(C(=O)NCc2ccc(OC3CCCC3)cc2)CCCCC1 ZINC001594862910 954290232 /nfs/dbraw/zinc/29/02/32/954290232.db2.gz CZKFMHXMLIDQIC-UHFFFAOYSA-N -1 0 345.439 3.659 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc(C3CC3)cc2)C[C@H]1c1ccccc1 ZINC000659149921 954311677 /nfs/dbraw/zinc/31/16/77/954311677.db2.gz MVYIBQATMZWKTL-RBUKOAKNSA-N -1 0 335.403 3.504 20 0 EHADRM C[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)c1c(Cl)cccc1Cl ZINC000659224271 954317289 /nfs/dbraw/zinc/31/72/89/954317289.db2.gz IQUFVSJKILUKFG-VWYCJHECSA-N -1 0 344.238 3.666 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(Cl)cc3ccccc32)CC[C@@H]1C(=O)[O-] ZINC000659226061 954317303 /nfs/dbraw/zinc/31/73/03/954317303.db2.gz ZEDNBRJONORFMW-RISCZKNCSA-N -1 0 331.799 3.676 20 0 EHADRM O=C([O-])[C@]1(C(=O)N[C@@H]2C[C@H]2c2cccc3ccccc32)CC=CCC1 ZINC001594868887 954329282 /nfs/dbraw/zinc/32/92/82/954329282.db2.gz PHGFWYVMXYBKNF-WAOWUJCRSA-N -1 0 335.403 3.623 20 0 EHADRM CC(C)C[C@H](CNC(=O)N(C)[C@H](C)c1ccc(F)cc1)CC(=O)[O-] ZINC000659418242 954342890 /nfs/dbraw/zinc/34/28/90/954342890.db2.gz IBWKBAFNKREJJS-KGLIPLIRSA-N -1 0 338.423 3.665 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)c2ccc(OCC(=O)[O-])cc2)c(C)c1 ZINC000659752110 954352964 /nfs/dbraw/zinc/35/29/64/954352964.db2.gz AOKYZLFUZUCDPX-HNNXBMFYSA-N -1 0 341.407 3.600 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2nc(-c3cccc(F)c3)cs2)CC=CCC1 ZINC001594871786 954361730 /nfs/dbraw/zinc/36/17/30/954361730.db2.gz FXTDVUQYFPOSCP-KRWDZBQOSA-N -1 0 346.383 3.699 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2cnc(-c3ccccc3)s2)CC=CCC1 ZINC001594877750 954392403 /nfs/dbraw/zinc/39/24/03/954392403.db2.gz LLEVOAUOUREEKM-KRWDZBQOSA-N -1 0 328.393 3.560 20 0 EHADRM CSc1nc(NC[C@H](CC(=O)[O-])CC(C)C)cc(C(F)F)n1 ZINC000662894813 954399892 /nfs/dbraw/zinc/39/98/92/954399892.db2.gz GAXOSTUUDZXXNS-VIFPVBQESA-N -1 0 333.404 3.685 20 0 EHADRM O=C([O-])[C@]1(C(=O)Oc2ccc(F)c(C(F)(F)F)c2)CC=CCC1 ZINC001594879306 954405825 /nfs/dbraw/zinc/40/58/25/954405825.db2.gz WDYJOJSQUCIGNK-AWEZNQCLSA-N -1 0 332.249 3.561 20 0 EHADRM COc1ccc2cc(CN(C)C(=O)[C@@H](C(=O)[O-])C(C)(C)C)ccc2c1 ZINC000663068001 954441466 /nfs/dbraw/zinc/44/14/66/954441466.db2.gz UYAJGZZPBHGUAO-KRWDZBQOSA-N -1 0 343.423 3.554 20 0 EHADRM CN(Cc1cc(F)cc(F)c1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001593755066 954444614 /nfs/dbraw/zinc/44/46/14/954444614.db2.gz AWSQOIWKQJGFOD-UHFFFAOYSA-N -1 0 348.349 3.646 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)[C@@]3(C(=O)[O-])CC3(C)C)cc2)cs1 ZINC000663094405 954476492 /nfs/dbraw/zinc/47/64/92/954476492.db2.gz MXRCDONWADTZJI-QGZVFWFLSA-N -1 0 330.409 3.558 20 0 EHADRM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)C1(C(=O)[O-])CCC1 ZINC000663107699 954496419 /nfs/dbraw/zinc/49/64/19/954496419.db2.gz LNORWESSFFFQNK-CQSZACIVSA-N -1 0 330.428 3.567 20 0 EHADRM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000668298693 954567342 /nfs/dbraw/zinc/56/73/42/954567342.db2.gz HLLYNCLRLYHSCV-KRWDZBQOSA-N -1 0 327.380 3.617 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cc3cc(Cl)ccc3[nH]2)CCCCC1 ZINC000675998638 954582990 /nfs/dbraw/zinc/58/29/90/954582990.db2.gz VVUSOWKPYLMQTB-UHFFFAOYSA-N -1 0 334.803 3.729 20 0 EHADRM CCC(=O)c1ccc(OC(=O)c2cc(C)cc(C(=O)[O-])c2)c(F)c1 ZINC001589426698 954632246 /nfs/dbraw/zinc/63/22/46/954632246.db2.gz TWYDSUWTAHRNQB-UHFFFAOYSA-N -1 0 330.311 3.644 20 0 EHADRM O=C([O-])[C@H]1C[C@H](Nc2ncccc2Br)c2ccccc21 ZINC001594903159 954651857 /nfs/dbraw/zinc/65/18/57/954651857.db2.gz SAHHHMDCYWSHJE-AAEUAGOBSA-N -1 0 333.185 3.569 20 0 EHADRM CC(C)[C@]1(C)C[C@@H]1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001602993282 972029826 /nfs/dbraw/zinc/02/98/26/972029826.db2.gz ILOGVCBWOWSCIB-BONVTDFDSA-N -1 0 328.771 3.733 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)Nc2ccc(C(F)F)cc2)C1 ZINC000386390497 972050319 /nfs/dbraw/zinc/05/03/19/972050319.db2.gz FXVRCOJKOXEIQF-GFCCVEGCSA-N -1 0 340.370 3.979 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)N1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC001589464435 954889516 /nfs/dbraw/zinc/88/95/16/954889516.db2.gz PTZDFSFRMSNMRM-QOGNPZJISA-N -1 0 345.439 3.731 20 0 EHADRM CCC(CC)(CNC(=O)N1CC2(CCC2)c2c1cccc2F)C(=O)[O-] ZINC001589489216 955006371 /nfs/dbraw/zinc/00/63/71/955006371.db2.gz NUZHEASGTJOZHD-UHFFFAOYSA-N -1 0 348.418 3.668 20 0 EHADRM CCC(CC)(CNC(=O)NC1(c2ccccc2C)CCC1)C(=O)[O-] ZINC001589489591 955012464 /nfs/dbraw/zinc/01/24/64/955012464.db2.gz YIXJPPWTDKJVLJ-UHFFFAOYSA-N -1 0 332.444 3.564 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)Nc2ncccc2C(=O)[O-])cc1 ZINC001589512655 955052595 /nfs/dbraw/zinc/05/25/95/955052595.db2.gz KLZNJGVEXIGSSV-UHFFFAOYSA-N -1 0 328.368 3.600 20 0 EHADRM CC[C@@H](CCc1ccccc1)NC(=O)NCc1ccccc1C(=O)[O-] ZINC001589515404 955065663 /nfs/dbraw/zinc/06/56/63/955065663.db2.gz ZRKHVOWPVXTDJP-KRWDZBQOSA-N -1 0 340.423 3.595 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC001589515437 955067168 /nfs/dbraw/zinc/06/71/68/955067168.db2.gz ZYSZIIAWMGKTPB-AEFFLSMTSA-N -1 0 347.455 3.501 20 0 EHADRM O=C([O-])c1ccc(CN2Cc3cccc(Br)c3C2)s1 ZINC000713194307 955072826 /nfs/dbraw/zinc/07/28/26/955072826.db2.gz MHLMLXSZHNPCIW-UHFFFAOYSA-N -1 0 338.226 3.725 20 0 EHADRM CC(C)C[C@H](CNC(=O)N[C@H](c1ccccc1)C1CCC1)C(=O)[O-] ZINC001603012507 972067775 /nfs/dbraw/zinc/06/77/75/972067775.db2.gz SKDUTLFJVHZTGG-IAGOWNOFSA-N -1 0 332.444 3.574 20 0 EHADRM CC[C@@H](CNC(=O)N1CCCCC[C@@H]1c1cccc(C)c1)C(=O)[O-] ZINC001589528412 955136694 /nfs/dbraw/zinc/13/66/94/955136694.db2.gz JROQURNIHRRJKF-DOTOQJQBSA-N -1 0 332.444 3.733 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)/C=C\c2ccc(-c3ccc(F)cc3)s2)C1 ZINC000769511956 955320122 /nfs/dbraw/zinc/32/01/22/955320122.db2.gz XJHCZEQQDKRRGU-FWPCIQOSSA-N -1 0 345.395 3.501 20 0 EHADRM Cc1ccccc1COc1ccccc1C(=O)NCCCCC(=O)[O-] ZINC000773227115 955323811 /nfs/dbraw/zinc/32/38/11/955323811.db2.gz QWCMBYBGCSUCOK-UHFFFAOYSA-N -1 0 341.407 3.559 20 0 EHADRM Cc1sc(CC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])nc1C(C)C ZINC001594512613 955401847 /nfs/dbraw/zinc/40/18/47/955401847.db2.gz ZAMYITBXVGIFGG-LBPRGKRZSA-N -1 0 340.489 3.513 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1cccc(-n2cccc2)c1)CC(=O)[O-] ZINC001603041590 972102393 /nfs/dbraw/zinc/10/23/93/972102393.db2.gz JWUWCZZQJKMLKA-HNNXBMFYSA-N -1 0 343.427 3.736 20 0 EHADRM O=C([O-])CCCSc1nnc(-c2ccco2)n1Cc1ccccc1 ZINC000821525161 955511905 /nfs/dbraw/zinc/51/19/05/955511905.db2.gz RKPVKQIIRXMEAP-UHFFFAOYSA-N -1 0 343.408 3.543 20 0 EHADRM C[C@@H](CN(C)C(=O)c1cc(F)c(Oc2ccccc2)c(F)c1)C(=O)[O-] ZINC001589028908 955514154 /nfs/dbraw/zinc/51/41/54/955514154.db2.gz OKROXUQPIMXNFS-NSHDSACASA-N -1 0 349.333 3.550 20 0 EHADRM C[C@H](CNC(=O)N[C@H](CC1CCCCC1)c1ccccc1)C(=O)[O-] ZINC001589050479 955656020 /nfs/dbraw/zinc/65/60/20/955656020.db2.gz CJBDLCJYPGBXEZ-RHSMWYFYSA-N -1 0 332.444 3.718 20 0 EHADRM C[C@@H](CSc1ccccc1)N(C)C(=O)Cc1ccccc1C(=O)[O-] ZINC001589076919 955826943 /nfs/dbraw/zinc/82/69/43/955826943.db2.gz KDZKQAZXCWKXSY-AWEZNQCLSA-N -1 0 343.448 3.567 20 0 EHADRM COc1ccc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc1OC1CCCC1 ZINC000852947135 955864364 /nfs/dbraw/zinc/86/43/64/955864364.db2.gz JDFNEYZBAQHHOU-INIZCTEOSA-N -1 0 349.427 3.702 20 0 EHADRM Cn1ncc(C(=O)[O-])c1CNc1ccc(-c2ccc(Cl)s2)nc1 ZINC001594583325 955991704 /nfs/dbraw/zinc/99/17/04/955991704.db2.gz MYHWAJOCZIRGND-UHFFFAOYSA-N -1 0 348.815 3.507 20 0 EHADRM Cn1ncc(C(=O)[O-])c1CNc1cccc(COC2CCCCC2)c1 ZINC001594583704 955994721 /nfs/dbraw/zinc/99/47/21/955994721.db2.gz XKGYDDHIHIIVCR-UHFFFAOYSA-N -1 0 343.427 3.580 20 0 EHADRM Cc1ccc(-c2ccccc2NC(=O)N2CC[C@H](C(=O)[O-])C2)s1 ZINC000864606220 956007972 /nfs/dbraw/zinc/00/79/72/956007972.db2.gz BGVARKUCDZXTNI-LBPRGKRZSA-N -1 0 330.409 3.662 20 0 EHADRM CC(C)c1scnc1NC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000899313186 956284215 /nfs/dbraw/zinc/28/42/15/956284215.db2.gz GZZCQFMGMAWBTR-NSHDSACASA-N -1 0 325.434 3.518 20 0 EHADRM Cc1cccnc1Oc1ccc(C(=O)NCCCCCC(=O)[O-])cc1 ZINC000901437141 956309490 /nfs/dbraw/zinc/30/94/90/956309490.db2.gz FDSKUXYRQHZHKG-UHFFFAOYSA-N -1 0 342.395 3.557 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)[C@]23C[C@H]2CCCC3)CC1 ZINC000901550322 956334594 /nfs/dbraw/zinc/33/45/94/956334594.db2.gz BUWGRTIIQGZJJD-FOIQADDNSA-N -1 0 327.424 3.671 20 0 EHADRM Cc1oc(-c2ccccc2)cc1C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000901655059 956405866 /nfs/dbraw/zinc/40/58/66/956405866.db2.gz KTCYANSRJUYCKD-SWLSCSKDSA-N -1 0 327.380 3.580 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000901746268 956449586 /nfs/dbraw/zinc/44/95/86/956449586.db2.gz OCDONFAEMCQKIE-BBWFWOEESA-N -1 0 347.455 3.550 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)Cc2ccc(C3CCCCC3)cc2)C1 ZINC001589191497 956596672 /nfs/dbraw/zinc/59/66/72/956596672.db2.gz CTUVGFFETHGHTN-FQEVSTJZSA-N -1 0 329.440 3.600 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)c2c(Cl)cc(Cl)cc2Cl)C1 ZINC001589193554 956602695 /nfs/dbraw/zinc/60/26/95/956602695.db2.gz AJRFHVYLFOHFLU-ZDUSSCGKSA-N -1 0 336.602 3.584 20 0 EHADRM C[C@@H](CC(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21)n1cccc1 ZINC001603120039 972202534 /nfs/dbraw/zinc/20/25/34/972202534.db2.gz AKQNXMWZNLBBPE-JKSUJKDBSA-N -1 0 340.423 3.510 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)Nc1cc(-n2cccc2)ccc1F ZINC001589205002 956659717 /nfs/dbraw/zinc/65/97/17/956659717.db2.gz FGEIRXLIAFPQHT-UHFFFAOYSA-N -1 0 344.386 3.692 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC001589205275 956660736 /nfs/dbraw/zinc/66/07/36/956660736.db2.gz TZKDZONAYJZDRK-HIFRSBDPSA-N -1 0 347.430 3.715 20 0 EHADRM O=C([O-])c1cccnc1NC(=O)/C=C/c1csc(C(F)(F)F)c1 ZINC001594675972 956664160 /nfs/dbraw/zinc/66/41/60/956664160.db2.gz QLSUDUSKANVFKC-ONEGZZNKSA-N -1 0 342.298 3.512 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCc2ccc(-c3ccccc3)cc2C1 ZINC001589213617 956717799 /nfs/dbraw/zinc/71/77/99/956717799.db2.gz SQGNERWTXXLWFD-JOCHJYFZSA-N -1 0 349.430 3.739 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCCCc1c(Cl)cccc1Cl ZINC001589218032 956740760 /nfs/dbraw/zinc/74/07/60/956740760.db2.gz PRWXYGNHEPZOHU-INIZCTEOSA-N -1 0 344.238 3.543 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1cc(Cl)ccc1Br ZINC001589219237 956752654 /nfs/dbraw/zinc/75/26/54/956752654.db2.gz KBLKJEODMOCJEH-ZDUSSCGKSA-N -1 0 346.608 3.542 20 0 EHADRM C[C@@](CNC(=O)NC[C@@H]1CCCC(C)(C)C1)(C(=O)[O-])c1ccccc1 ZINC001589224553 956784857 /nfs/dbraw/zinc/78/48/57/956784857.db2.gz MVHZMLQEHVYPGM-QRWLVFNGSA-N -1 0 346.471 3.545 20 0 EHADRM CC1(C)CCC[C@@H]1N(Cc1ccccc1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001589225783 956792735 /nfs/dbraw/zinc/79/27/35/956792735.db2.gz HUUSUUVWKKWRGB-BBWFWOEESA-N -1 0 344.455 3.640 20 0 EHADRM CC1(C)CN(CCOc2ccccc2C(=O)[O-])c2cc(F)ccc21 ZINC001589231949 956833443 /nfs/dbraw/zinc/83/34/43/956833443.db2.gz IRCGGENUQBBYHA-UHFFFAOYSA-N -1 0 329.371 3.701 20 0 EHADRM CC1(C)Cc2cc(C(=O)Nc3cccc(CCC(=O)[O-])c3)ccc2O1 ZINC001589234084 956840991 /nfs/dbraw/zinc/84/09/91/956840991.db2.gz OKQYILQYFFUIEQ-UHFFFAOYSA-N -1 0 339.391 3.670 20 0 EHADRM C[C@]1(NC(=O)Nc2ccccc2CC(=O)[O-])CCCc2ccccc21 ZINC001589246607 956930379 /nfs/dbraw/zinc/93/03/79/956930379.db2.gz RIQXJLUSOSYXAA-FQEVSTJZSA-N -1 0 338.407 3.687 20 0 EHADRM CCc1cccc(CC)c1NC(=O)COc1ccc(C)cc1C(=O)[O-] ZINC000013085637 956938008 /nfs/dbraw/zinc/93/80/08/956938008.db2.gz WQKDQRXSENLNPN-UHFFFAOYSA-N -1 0 341.407 3.836 20 0 EHADRM C[C@@H]1CCCC[C@@H]1NC(=O)COc1c(C(=O)[O-])ccc2ccccc21 ZINC000013086234 956939550 /nfs/dbraw/zinc/93/95/50/956939550.db2.gz IJBZGSWKDBQLHY-DYVFJYSZSA-N -1 0 341.407 3.612 20 0 EHADRM O=C([O-])C1(NC(=O)c2cc(Cl)cc(Cl)c2F)CCCCC1 ZINC001594721469 956971840 /nfs/dbraw/zinc/97/18/40/956971840.db2.gz ZRQAMDWHPRLRJB-UHFFFAOYSA-N -1 0 334.174 3.650 20 0 EHADRM C[C@@H](Sc1ncccc1C(=O)[O-])C(=O)Nc1cccc(Cl)c1 ZINC000013188614 956974105 /nfs/dbraw/zinc/97/41/05/956974105.db2.gz UXGOHCHTIDXZIZ-SECBINFHSA-N -1 0 336.800 3.553 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc(Cl)ccc1Cl ZINC000013225217 956984596 /nfs/dbraw/zinc/98/45/96/956984596.db2.gz YCEZJGXKRCMHJK-HERUPUMHSA-N -1 0 342.222 3.851 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OCC(=O)N(c1ccccc1)C(C)C ZINC000013248374 956990489 /nfs/dbraw/zinc/99/04/89/956990489.db2.gz LSWFFLWAZBGAHZ-UHFFFAOYSA-N -1 0 327.380 3.514 20 0 EHADRM CC/C(=C/C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccc(OC)cc1 ZINC000909476522 957019707 /nfs/dbraw/zinc/01/97/07/957019707.db2.gz FDOTYXYXJVHCAQ-WSTOHFRZSA-N -1 0 345.439 3.592 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Cc1cccc2ccccc21)c1cccs1 ZINC000013388736 957040851 /nfs/dbraw/zinc/04/08/51/957040851.db2.gz HNUHGXNYVICPKC-INIZCTEOSA-N -1 0 339.416 3.776 20 0 EHADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)c2ccc(C3CCCC3)cc2)n1 ZINC000909965296 957040979 /nfs/dbraw/zinc/04/09/79/957040979.db2.gz FQOVFBRNQYXGCO-UHFFFAOYSA-N -1 0 341.411 3.613 20 0 EHADRM O=C([O-])c1ccoc1CSc1ncnc2sc3c(c21)CCC3 ZINC000013416258 957056364 /nfs/dbraw/zinc/05/63/64/957056364.db2.gz AYKQASMFGSRADQ-UHFFFAOYSA-N -1 0 332.406 3.764 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCc1ccc(Cl)cc1 ZINC000013428407 957068736 /nfs/dbraw/zinc/06/87/36/957068736.db2.gz KFJOUFMMODFDDQ-BPUTZDHNSA-N -1 0 335.831 3.517 20 0 EHADRM CN(C(=O)Cc1coc2cc3c(cc12)CCC3)c1ccccc1C(=O)[O-] ZINC000013440629 957079303 /nfs/dbraw/zinc/07/93/03/957079303.db2.gz DBQHMTMMVCSKPP-UHFFFAOYSA-N -1 0 349.386 3.825 20 0 EHADRM COCCOc1ccc(SCCOc2ccccc2C(=O)[O-])cc1 ZINC001594021439 957081904 /nfs/dbraw/zinc/08/19/04/957081904.db2.gz SAACWWCWXAJMDL-UHFFFAOYSA-N -1 0 348.420 3.581 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000013442512 957082696 /nfs/dbraw/zinc/08/26/96/957082696.db2.gz DJTVLRITIFJRHV-UHFFFAOYSA-N -1 0 338.190 3.664 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CC=C(c3cccc4ccccc43)C2)C1 ZINC000911650528 957086575 /nfs/dbraw/zinc/08/65/75/957086575.db2.gz CNFDMZKOGVYCQI-JKSUJKDBSA-N -1 0 335.403 3.566 20 0 EHADRM O=C([O-])c1ccc(S(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000021808822 957152865 /nfs/dbraw/zinc/15/28/65/957152865.db2.gz KNNAYKKLDWNTKX-UHFFFAOYSA-N -1 0 345.203 3.666 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC000033463613 957185442 /nfs/dbraw/zinc/18/54/42/957185442.db2.gz HZPZGZOHDSCWOS-DYVFJYSZSA-N -1 0 327.380 3.708 20 0 EHADRM CCC[C@](C)(NC(=O)CCSc1ccc(Cl)cc1)C(=O)[O-] ZINC000036338330 957231134 /nfs/dbraw/zinc/23/11/34/957231134.db2.gz YVUJTGYGPWXGCD-HNNXBMFYSA-N -1 0 329.849 3.582 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)COc1cc(Cl)ccc1Cl ZINC000037450623 957294499 /nfs/dbraw/zinc/29/44/99/957294499.db2.gz ZSERSIFKNDDPFQ-UHFFFAOYSA-N -1 0 346.191 3.771 20 0 EHADRM CC(C)[C@H](CNC(=O)N1CCC[C@H]1c1cccc(Cl)c1)C(=O)[O-] ZINC001326842928 957333528 /nfs/dbraw/zinc/33/35/28/957333528.db2.gz ABTCIDPKVKSVOG-GJZGRUSLSA-N -1 0 338.835 3.543 20 0 EHADRM Cc1c(NC(=O)c2cc(Cl)c(Cl)n2C)cccc1C(=O)[O-] ZINC000057384237 957550760 /nfs/dbraw/zinc/55/07/60/957550760.db2.gz PRKWTWPKBKUEHG-UHFFFAOYSA-N -1 0 327.167 3.591 20 0 EHADRM Cc1c(C(=O)Nc2ccc(C(=O)[O-])cn2)sc2cccc(F)c12 ZINC000390371656 972279068 /nfs/dbraw/zinc/27/90/68/972279068.db2.gz QIBBHIPBUODLAL-UHFFFAOYSA-N -1 0 330.340 3.694 20 0 EHADRM CC(C)OCc1cccc(NC(=O)CC2(CC(=O)[O-])CCCC2)c1 ZINC000067988249 957645979 /nfs/dbraw/zinc/64/59/79/957645979.db2.gz SSSIEEQDXAONSI-UHFFFAOYSA-N -1 0 333.428 3.975 20 0 EHADRM C[C@H](CNC(=O)Nc1ccccc1C(=O)[O-])Oc1ccccc1Cl ZINC001603183595 972282388 /nfs/dbraw/zinc/28/23/88/972282388.db2.gz JNLJSDVLTBEISM-LLVKDONJSA-N -1 0 348.786 3.627 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)c1cc(F)c(Cl)cc1Cl ZINC000070524678 957684168 /nfs/dbraw/zinc/68/41/68/957684168.db2.gz PCUKNDQJHQHPGV-KRTXAFLBSA-N -1 0 334.174 3.506 20 0 EHADRM Cc1cc(C(=O)Nc2c[nH]nc2C(=O)[O-])sc1-c1ccc(F)cc1 ZINC001594280932 957741454 /nfs/dbraw/zinc/74/14/54/957741454.db2.gz ZFWGKCXDCGXOFQ-UHFFFAOYSA-N -1 0 345.355 3.536 20 0 EHADRM Cc1ccc2sc(CNC(=O)c3cc(C)cc(C(=O)[O-])c3)nc2c1 ZINC001594285563 957773826 /nfs/dbraw/zinc/77/38/26/957773826.db2.gz JIGOJHHGEBEHJY-UHFFFAOYSA-N -1 0 340.404 3.541 20 0 EHADRM Cc1ccc(NC(=O)N2CCc3sccc3[C@H]2C)c(C(=O)[O-])c1 ZINC000390682887 972298359 /nfs/dbraw/zinc/29/83/59/972298359.db2.gz WORWTKIAGFPVER-LLVKDONJSA-N -1 0 330.409 3.906 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1CCCc2sccc21 ZINC000390679724 972298737 /nfs/dbraw/zinc/29/87/37/972298737.db2.gz VLOXNZQCSZFUPN-CQSZACIVSA-N -1 0 330.409 3.954 20 0 EHADRM O=C([O-])c1c(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)nc2ccccn21 ZINC001574788729 957798137 /nfs/dbraw/zinc/79/81/37/957798137.db2.gz WBQJWSHWIDVIOL-MGPQQGTHSA-N -1 0 341.411 3.578 20 0 EHADRM CON(C(=O)c1cccc(Oc2ccc(Cl)cc2)c1)[C@@H](C)C(=O)[O-] ZINC001594039215 957845093 /nfs/dbraw/zinc/84/50/93/957845093.db2.gz KUTNLOAMSZFRMT-NSHDSACASA-N -1 0 349.770 3.609 20 0 EHADRM CN(CC1CCCCC1)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000390880454 972305691 /nfs/dbraw/zinc/30/56/91/972305691.db2.gz UAFSKWZQRPWELV-UHFFFAOYSA-N -1 0 326.343 3.707 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC001339845556 957891914 /nfs/dbraw/zinc/89/19/14/957891914.db2.gz NBWMDKLEKLLAQE-DOPJRALCSA-N -1 0 338.407 3.668 20 0 EHADRM Cc1cc(CCNC(=O)Nc2ccccc2C(=O)[O-])ccc1Cl ZINC001594303021 957927252 /nfs/dbraw/zinc/92/72/52/957927252.db2.gz YBEDECLCRISLJE-UHFFFAOYSA-N -1 0 332.787 3.711 20 0 EHADRM O=C([O-])CC1(CC(=O)N[C@H]2CCSc3ccccc32)CCCC1 ZINC000390976335 972311266 /nfs/dbraw/zinc/31/12/66/972311266.db2.gz ARKBKCMRRAUYKX-AWEZNQCLSA-N -1 0 333.453 3.765 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)/C=C\c2ccc(SC)s2)C1 ZINC001341236611 957951394 /nfs/dbraw/zinc/95/13/94/957951394.db2.gz CWWLDVVBGFTQEB-GMNBZTITSA-N -1 0 339.482 3.587 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1cccnc1C(=O)[O-] ZINC001603200153 972308000 /nfs/dbraw/zinc/30/80/00/972308000.db2.gz VYQKJTQPXWNXTB-NSHDSACASA-N -1 0 347.802 3.528 20 0 EHADRM Cc1cc(N2CCCCCC2)ccc1NC(=O)[C@@H](C(=O)[O-])C(C)C ZINC001594312013 958042218 /nfs/dbraw/zinc/04/22/18/958042218.db2.gz TVKVAEQKLKOXAP-KRWDZBQOSA-N -1 0 332.444 3.671 20 0 EHADRM Cc1cc(NC(=O)N2C[C@H](C)C[C@H]2c2cccnc2)ccc1C(=O)[O-] ZINC001594317816 958090222 /nfs/dbraw/zinc/09/02/22/958090222.db2.gz FLJFFBVGHOAQHO-PXAZEXFGSA-N -1 0 339.395 3.703 20 0 EHADRM COc1cc(NC(=O)C2(C(=O)[O-])CCCCC2)ccc1C(F)(F)F ZINC001594063126 958116106 /nfs/dbraw/zinc/11/61/06/958116106.db2.gz XHUWHTDNVKLPLA-UHFFFAOYSA-N -1 0 345.317 3.688 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)oc1Br ZINC001594324559 958146949 /nfs/dbraw/zinc/14/69/49/958146949.db2.gz DHKKOAIBMMKSPG-UHFFFAOYSA-N -1 0 338.157 3.609 20 0 EHADRM COc1cc2ccccc2cc1-c1nnc(CS[C@H](C)C(=O)[O-])o1 ZINC001594069678 958171873 /nfs/dbraw/zinc/17/18/73/958171873.db2.gz JWMVKMVBDGSZIT-SNVBAGLBSA-N -1 0 344.392 3.605 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C1 ZINC001358237745 958201546 /nfs/dbraw/zinc/20/15/46/958201546.db2.gz IVOMLZBHTQKOFJ-QGZVFWFLSA-N -1 0 334.803 3.538 20 0 EHADRM O=C([O-])c1cccc(OCc2cc(F)cc(Br)c2)c1 ZINC000093981041 958259910 /nfs/dbraw/zinc/25/99/10/958259910.db2.gz QBGMMOYGCDYKJU-UHFFFAOYSA-N -1 0 325.133 3.865 20 0 EHADRM Cc1ccc(-n2c(SCC(=O)[O-])nnc2-c2ccccc2F)cc1 ZINC001594340881 958289623 /nfs/dbraw/zinc/28/96/23/958289623.db2.gz BCSLCAZTEVEHKB-UHFFFAOYSA-N -1 0 343.383 3.559 20 0 EHADRM Cc1ccc(Br)c(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)c1 ZINC001594341801 958296205 /nfs/dbraw/zinc/29/62/05/958296205.db2.gz DJLWJSSGNZQBQY-OAHLLOKOSA-N -1 0 338.201 3.507 20 0 EHADRM Cc1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1-n1cccc1 ZINC001594344349 958316092 /nfs/dbraw/zinc/31/60/92/958316092.db2.gz VKEBMPPCNXBECK-INIZCTEOSA-N -1 0 340.423 3.503 20 0 EHADRM COc1ccc(CC[C@H](C)NC(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC001594088518 958335290 /nfs/dbraw/zinc/33/52/90/958335290.db2.gz MVFLJTAFADBSRP-ZDUSSCGKSA-N -1 0 342.395 3.536 20 0 EHADRM COc1ccc(CN2C[C@@H](CCC(=O)[O-])Cc3ccccc32)cc1 ZINC001594092997 958370575 /nfs/dbraw/zinc/37/05/75/958370575.db2.gz PPFHHPOEJVLRHQ-INIZCTEOSA-N -1 0 325.408 3.739 20 0 EHADRM Cc1ccc(C)c(C2CCN(C(=O)NC[C@@H](C(=O)[O-])C(C)C)CC2)c1 ZINC001594352029 958371783 /nfs/dbraw/zinc/37/17/83/958371783.db2.gz SBNNITQMZXNTJL-GOSISDBHSA-N -1 0 346.471 3.549 20 0 EHADRM COc1ccc(NC(=O)[C@@H](C(=O)[O-])C(C)C)cc1Cc1ccccc1 ZINC001594101810 958445268 /nfs/dbraw/zinc/44/52/68/958445268.db2.gz TYNLILZEHQZTCO-SFHVURJKSA-N -1 0 341.407 3.581 20 0 EHADRM O=C([O-])c1cccc(NC(=O)Cc2nc(-c3ccccc3)cs2)c1 ZINC001605725833 972353536 /nfs/dbraw/zinc/35/35/36/972353536.db2.gz SVGDCZQEBGAVFW-UHFFFAOYSA-N -1 0 338.388 3.690 20 0 EHADRM COc1ccc2ccc(C(=O)Nc3ccccc3CC(=O)[O-])cc2c1 ZINC001594118206 958575395 /nfs/dbraw/zinc/57/53/95/958575395.db2.gz BLZKSDBXDMHGTM-UHFFFAOYSA-N -1 0 335.359 3.728 20 0 EHADRM COc1ccc2cc([C@H](C)OC(=O)[C@H]3CC[C@H]3C(=O)[O-])ccc2c1 ZINC001594118195 958575615 /nfs/dbraw/zinc/57/56/15/958575615.db2.gz AOMZPLJPPUDRBH-JECHBYEQSA-N -1 0 328.364 3.563 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)cc2)nc1 ZINC001594376952 958597699 /nfs/dbraw/zinc/59/76/99/958597699.db2.gz NXMZXNZZODYYFS-UONOGXRCSA-N -1 0 340.379 3.622 20 0 EHADRM C[C@H](C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)c1cc2ccccc2o1 ZINC001573364311 958614013 /nfs/dbraw/zinc/61/40/13/958614013.db2.gz RBZWQGSJIBMZEG-RNODOKPDSA-N -1 0 337.375 3.653 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N[C@H]3C[C@H](C(=O)[O-])c4ccccc43)cc2c1 ZINC001594381465 958627828 /nfs/dbraw/zinc/62/78/28/958627828.db2.gz KUMDCFPMSZIBLR-RDJZCZTQSA-N -1 0 334.375 3.519 20 0 EHADRM COc1cccc(CN(CC(C)C)C(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001594128136 958647964 /nfs/dbraw/zinc/64/79/64/958647964.db2.gz IKBBJYAFTSWQRY-UHFFFAOYSA-N -1 0 341.407 3.692 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@@H](c1ccc(Cl)cc1)N(C)C ZINC001594388343 958695301 /nfs/dbraw/zinc/69/53/01/958695301.db2.gz WKQPDVBQCIBLQZ-MRXNPFEDSA-N -1 0 346.814 3.588 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NCC1(c2cccc(Cl)c2)CCC1 ZINC001573391009 958699113 /nfs/dbraw/zinc/69/91/13/958699113.db2.gz QDVXGFWNCLNQDB-CQSZACIVSA-N -1 0 337.847 3.625 20 0 EHADRM Cc1cc(Br)cc(C(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000130615241 958737049 /nfs/dbraw/zinc/73/70/49/958737049.db2.gz GNHWIYUREJXHBH-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc(Cl)cc1Br ZINC000131415783 958749475 /nfs/dbraw/zinc/74/94/75/958749475.db2.gz ADOOWVUEDKGWIC-SSDOTTSWSA-N -1 0 334.597 3.542 20 0 EHADRM CC1CCC(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC000391789158 972373709 /nfs/dbraw/zinc/37/37/09/972373709.db2.gz YDCXUGUBGLZVPD-UHFFFAOYSA-N -1 0 326.343 3.611 20 0 EHADRM Cc1cccc([C@H](NCc2ncc(-c3ccccc3F)o2)C(=O)[O-])c1 ZINC001594398738 958811470 /nfs/dbraw/zinc/81/14/70/958811470.db2.gz ZNLANDBACLBLEF-SFHVURJKSA-N -1 0 340.354 3.705 20 0 EHADRM CC(=O)c1cc(C(=O)Nc2ccccc2C(=O)[O-])ccc1OC(C)C ZINC001588528122 958880082 /nfs/dbraw/zinc/88/00/82/958880082.db2.gz RUYGSYOGENQLAH-UHFFFAOYSA-N -1 0 341.363 3.627 20 0 EHADRM Cc1cccc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1F ZINC001594407604 958908989 /nfs/dbraw/zinc/90/89/89/958908989.db2.gz BHUYXNCMMJCLFW-HIFRSBDPSA-N -1 0 328.343 3.569 20 0 EHADRM CC(C)(C)c1cc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)no1 ZINC001573462800 958922099 /nfs/dbraw/zinc/92/20/99/958922099.db2.gz NLKQCDPYDGOTAI-UHFFFAOYSA-N -1 0 340.738 3.715 20 0 EHADRM Cc1cccc(CC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1Cl ZINC001594410366 958945163 /nfs/dbraw/zinc/94/51/63/958945163.db2.gz YICLFTCQGCVCRN-ZDUSSCGKSA-N -1 0 325.836 3.587 20 0 EHADRM Cc1nc(-c2ccccc2C)sc1C(=O)N([C@H](C)C(=O)[O-])C1CC1 ZINC001594413788 958976186 /nfs/dbraw/zinc/97/61/86/958976186.db2.gz JYCWVAYDXXQIPY-GFCCVEGCSA-N -1 0 344.436 3.505 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC001573489734 959005416 /nfs/dbraw/zinc/00/54/16/959005416.db2.gz MYGZYWBHDIZFPW-KRWDZBQOSA-N -1 0 345.370 3.591 20 0 EHADRM Cc1ccccc1C1(NC(=O)NCc2ccc(C(=O)[O-])cc2)CCC1 ZINC001594416402 959006996 /nfs/dbraw/zinc/00/69/96/959006996.db2.gz ATUMZNXZDOOOHK-UHFFFAOYSA-N -1 0 338.407 3.572 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1(C)C ZINC001588565230 959135507 /nfs/dbraw/zinc/13/55/07/959135507.db2.gz QAFFRMZNSQFDAZ-ZWNOBZJWSA-N -1 0 343.345 3.521 20 0 EHADRM CC(C)C[C@@H](NC(=O)Nc1cccc(COC(C)(C)C)c1)C(=O)[O-] ZINC001573528934 959156283 /nfs/dbraw/zinc/15/62/83/959156283.db2.gz DTVPNMOYZFTGRU-OAHLLOKOSA-N -1 0 336.432 3.623 20 0 EHADRM CC(C)C[C@H](NC(=O)Cc1cc(Cl)cc2ccccc21)C(=O)[O-] ZINC001573536612 959171910 /nfs/dbraw/zinc/17/19/10/959171910.db2.gz BFTAYDQMVWRWRE-INIZCTEOSA-N -1 0 333.815 3.651 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)NCC1(c2ccc(Cl)cc2Cl)CCCC1 ZINC001588573118 959195486 /nfs/dbraw/zinc/19/54/86/959195486.db2.gz XIPNPAPWOCSIGA-JTQLQIEISA-N -1 0 344.238 3.642 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])s2)c(Br)c1 ZINC000163607453 959241119 /nfs/dbraw/zinc/24/11/19/959241119.db2.gz RSZQUNZZGWZUNA-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3)C1CC1 ZINC001588589913 959338589 /nfs/dbraw/zinc/33/85/89/959338589.db2.gz YJCLSBQMOKGAHR-GFCCVEGCSA-N -1 0 340.423 3.515 20 0 EHADRM Cc1ccc(Br)c(C(=O)Nc2ccsc2C(=O)[O-])c1 ZINC000168979151 959396635 /nfs/dbraw/zinc/39/66/35/959396635.db2.gz RAPHNSDHHPQOGG-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM Cc1ccc(NC(=O)CCOc2ccccc2Cl)c(C(=O)[O-])c1 ZINC000170577162 959417088 /nfs/dbraw/zinc/41/70/88/959417088.db2.gz NEHVYIFITXGWGD-UHFFFAOYSA-N -1 0 333.771 3.754 20 0 EHADRM N#C/C(=C\c1ccc(OCC(=O)[O-])cc1)C(=O)c1ccc(Cl)s1 ZINC000181302491 959438354 /nfs/dbraw/zinc/43/83/54/959438354.db2.gz XWGBWNYLRKVVGW-YRNVUSSQSA-N -1 0 347.779 3.655 20 0 EHADRM CCCC[C@@H](NC(=O)CCCCc1nc2ccccc2s1)C(=O)[O-] ZINC000184953113 959478954 /nfs/dbraw/zinc/47/89/54/959478954.db2.gz QFPRDFAIVAAVCK-CQSZACIVSA-N -1 0 348.468 3.769 20 0 EHADRM C[C@@H](C(=O)OCc1ccc(C(=O)[O-])cc1)c1cn(C)c2ccccc12 ZINC001588607438 959488414 /nfs/dbraw/zinc/48/84/14/959488414.db2.gz SWXZNGSHJHAUBJ-CYBMUJFWSA-N -1 0 337.375 3.723 20 0 EHADRM C[C@H](NC(=O)[C@@]1(C(=O)[O-])CC1(C)C)c1cc(Cl)ccc1Cl ZINC001594234470 959495857 /nfs/dbraw/zinc/49/58/57/959495857.db2.gz IQVKEXRVPKRRAA-VXJOIVPMSA-N -1 0 330.211 3.672 20 0 EHADRM Cc1nc2ccccc2cc1C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001594464730 959499377 /nfs/dbraw/zinc/49/93/77/959499377.db2.gz QWEMDXXWOZSTPH-INIZCTEOSA-N -1 0 328.412 3.553 20 0 EHADRM CCc1c(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cnn1CC(C)C ZINC000191013335 959534203 /nfs/dbraw/zinc/53/42/03/959534203.db2.gz PXHGDIZNWKOTCD-UHFFFAOYSA-N -1 0 349.818 3.705 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2csc(C3CC3)n2)cc1)C(=O)[O-] ZINC000191421273 959564771 /nfs/dbraw/zinc/56/47/71/959564771.db2.gz YLMIDZFFMNRISN-SNVBAGLBSA-N -1 0 330.409 3.536 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2ccc(Cl)c(F)c2)cc1)C(=O)[O-] ZINC000191424775 959566511 /nfs/dbraw/zinc/56/65/11/959566511.db2.gz HFHWWFRTRMOVMF-SNVBAGLBSA-N -1 0 335.762 3.995 20 0 EHADRM CSc1ccc(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)cc1 ZINC000191520363 959575883 /nfs/dbraw/zinc/57/58/83/959575883.db2.gz XIOOUBLPBMFALN-MRXNPFEDSA-N -1 0 343.448 3.614 20 0 EHADRM Cc1ncsc1C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001594474714 959578789 /nfs/dbraw/zinc/57/87/89/959578789.db2.gz HYBVEEUXTUMPJT-SSDOTTSWSA-N -1 0 336.438 3.588 20 0 EHADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)CCCc1cccs1 ZINC000191539675 959579267 /nfs/dbraw/zinc/57/92/67/959579267.db2.gz MLGRCDYHUSXVJS-MRXNPFEDSA-N -1 0 345.464 3.663 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(Oc3ccncc3)cc2)cc1 ZINC000191579067 959582758 /nfs/dbraw/zinc/58/27/58/959582758.db2.gz WETNFUDWHDNECB-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM O=C([O-])c1coc(C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)c1 ZINC000191651971 959587258 /nfs/dbraw/zinc/58/72/58/959587258.db2.gz YEIRTTYICOGENF-UHFFFAOYSA-N -1 0 349.342 3.832 20 0 EHADRM C[C@@H](Nc1ncc(Br)cc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001573635040 959587508 /nfs/dbraw/zinc/58/75/08/959587508.db2.gz ZFQLFVHGTTXAIC-FKTZTGRPSA-N -1 0 345.212 3.531 20 0 EHADRM C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)CC(C)(C)CC(=O)[O-] ZINC000191681637 959589062 /nfs/dbraw/zinc/58/90/62/959589062.db2.gz VKZHMDOFQLOQHS-LLVKDONJSA-N -1 0 345.361 3.644 20 0 EHADRM C[C@@H](C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-])c1ccccc1 ZINC000192852331 959592317 /nfs/dbraw/zinc/59/23/17/959592317.db2.gz GZMBUTLGVSOGPA-JKSUJKDBSA-N -1 0 325.408 3.540 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1cccc2c1CCC2 ZINC000192859997 959592727 /nfs/dbraw/zinc/59/27/27/959592727.db2.gz GRTNMZOQBQZYFH-UHFFFAOYSA-N -1 0 339.391 3.913 20 0 EHADRM COc1c(C)cc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1C ZINC000192917986 959596176 /nfs/dbraw/zinc/59/61/76/959596176.db2.gz SATCEXQHTXZIMI-AWEZNQCLSA-N -1 0 341.407 3.828 20 0 EHADRM Cc1[nH]c2ccccc2c1C1CCN(C(=O)[C@@H](C(=O)[O-])C(C)C)CC1 ZINC001594249756 959601427 /nfs/dbraw/zinc/60/14/27/959601427.db2.gz HEPIQDLTZZIKFQ-KRWDZBQOSA-N -1 0 342.439 3.539 20 0 EHADRM C[C@](CNC(=O)/C=C/c1ccc(Cl)s1)(C(=O)[O-])c1ccccc1 ZINC000193075252 959611305 /nfs/dbraw/zinc/61/13/05/959611305.db2.gz LBKMWJVNVPAWTP-SYJIQKIWSA-N -1 0 349.839 3.573 20 0 EHADRM CC(C)[C@H](C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000193077707 959612390 /nfs/dbraw/zinc/61/23/90/959612390.db2.gz CULKPFTWCAAYJF-GHTZIAJQSA-N -1 0 339.435 3.585 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(Nc2ccccc2)nc1 ZINC001588635113 959650340 /nfs/dbraw/zinc/65/03/40/959650340.db2.gz ZEUQBDXUGNBRTP-HNNXBMFYSA-N -1 0 327.384 3.511 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC001573655878 959669387 /nfs/dbraw/zinc/66/93/87/959669387.db2.gz LSQUIKDJUBSYHJ-HZPDHXFCSA-N -1 0 343.467 3.651 20 0 EHADRM Cc1c(Cl)cc(NC(=O)C2(CC(=O)[O-])CCOCC2)cc1Cl ZINC001594262375 959706831 /nfs/dbraw/zinc/70/68/31/959706831.db2.gz DLQURPCOUYAKID-UHFFFAOYSA-N -1 0 346.210 3.512 20 0 EHADRM CC(C)(C)C1CCC(CNC(=O)c2cccc(OCC(=O)[O-])c2)CC1 ZINC001588643425 959715618 /nfs/dbraw/zinc/71/56/18/959715618.db2.gz PLAGFCVJNDQNHT-UHFFFAOYSA-N -1 0 347.455 3.732 20 0 EHADRM CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001588643543 959717833 /nfs/dbraw/zinc/71/78/33/959717833.db2.gz SJLCHOTZPXFFJF-WBVHZDCISA-N -1 0 347.455 3.732 20 0 EHADRM Cc1c(Cl)cc(NC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)cc1Cl ZINC001594263152 959718521 /nfs/dbraw/zinc/71/85/21/959718521.db2.gz YDRLBUFENKJHLR-MWLCHTKSSA-N -1 0 346.210 3.510 20 0 EHADRM Cc1c(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)cnn1-c1ccc(Cl)cc1 ZINC001594263388 959724899 /nfs/dbraw/zinc/72/48/99/959724899.db2.gz PSBOURUPZYJQLP-CQSZACIVSA-N -1 0 349.818 3.520 20 0 EHADRM CC1(CNC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)CCCCCC1 ZINC001573684141 959740747 /nfs/dbraw/zinc/74/07/47/959740747.db2.gz JKIMSLZXTCGZGS-KRWDZBQOSA-N -1 0 344.455 3.741 20 0 EHADRM Cc1c(F)c(F)ccc1NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001594266243 959740846 /nfs/dbraw/zinc/74/08/46/959740846.db2.gz FVRZNRMRCQNLHT-GARJFASQSA-N -1 0 340.370 3.530 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)CCSCc1ccccc1)C(=O)[O-] ZINC001588651191 959769369 /nfs/dbraw/zinc/76/93/69/959769369.db2.gz ZKBUMEGKCOBYEM-HNNXBMFYSA-N -1 0 337.485 3.706 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2cccc(F)c2C(C)(F)F)C1 ZINC001573697654 959789098 /nfs/dbraw/zinc/78/90/98/959789098.db2.gz BJWUJBPKGOMGPV-VHSXEESVSA-N -1 0 344.333 3.512 20 0 EHADRM C[C@@H]1C[C@@H](CCNC(=O)c2ccc(OCC(=O)[O-])cc2)CC(C)(C)C1 ZINC001573701318 959834653 /nfs/dbraw/zinc/83/46/53/959834653.db2.gz NFDPGZYMUUWJEI-HUUCEWRRSA-N -1 0 347.455 3.732 20 0 EHADRM Cc1cc(Br)c(F)cc1NCc1cc(C(=O)[O-])co1 ZINC000224308388 959846921 /nfs/dbraw/zinc/84/69/21/959846921.db2.gz DHKQVOKFPJGYFC-UHFFFAOYSA-N -1 0 328.137 3.800 20 0 EHADRM Cc1cc(Cl)c(NC(=O)c2csc(C(=O)[O-])n2)cc1Cl ZINC000227274842 959943214 /nfs/dbraw/zinc/94/32/14/959943214.db2.gz JJLRFDSNRDBUJD-UHFFFAOYSA-N -1 0 331.180 3.709 20 0 EHADRM Cc1sc(CN[C@@H](C(=O)[O-])c2ccccc2)cc1Br ZINC000227825113 959970918 /nfs/dbraw/zinc/97/09/18/959970918.db2.gz PMGFPBOVNQAMDC-CYBMUJFWSA-N -1 0 340.242 3.735 20 0 EHADRM O=C([O-])c1coc(C(=O)Nc2cc(Br)ccc2Cl)c1 ZINC000228145856 959991234 /nfs/dbraw/zinc/99/12/34/959991234.db2.gz ZWIMJIWOKJTVBB-UHFFFAOYSA-N -1 0 344.548 3.646 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000232045132 960240630 /nfs/dbraw/zinc/24/06/30/960240630.db2.gz MFTBGAUBJUSJDJ-XCBNKYQSSA-N -1 0 335.162 3.507 20 0 EHADRM C[C@H](Oc1cccc2ccccc21)C(=O)N(CC(=O)[O-])CC(C)(C)C ZINC001603280287 972505942 /nfs/dbraw/zinc/50/59/42/972505942.db2.gz OTLMFOUVALUHAE-AWEZNQCLSA-N -1 0 343.423 3.566 20 0 EHADRM C[C@@H](NC(=O)C1(C(=O)[O-])CCCCCC1)c1ccc(F)cc1F ZINC001574259101 960556901 /nfs/dbraw/zinc/55/69/01/960556901.db2.gz BEZMHWSXLRODTA-LLVKDONJSA-N -1 0 325.355 3.567 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)C(=O)Cc1ccccc1Oc1ccc(C)cc1 ZINC001573759110 960593865 /nfs/dbraw/zinc/59/38/65/960593865.db2.gz OEQYQLJBHTWMSZ-QGZVFWFLSA-N -1 0 341.407 3.651 20 0 EHADRM O=C([O-])c1ccc(F)c(CN2CCC(Oc3cccc(F)c3)CC2)c1 ZINC001231458522 960609194 /nfs/dbraw/zinc/60/91/94/960609194.db2.gz YXQJEQDNNJGPNW-UHFFFAOYSA-N -1 0 347.361 3.706 20 0 EHADRM CC[C@](C)(NC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC001573770423 960663342 /nfs/dbraw/zinc/66/33/42/960663342.db2.gz PUGKYXWBSAQHBF-IBGZPJMESA-N -1 0 344.386 3.649 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000236609799 960716085 /nfs/dbraw/zinc/71/60/85/960716085.db2.gz WIDWJWDXRSWVRC-MJBXVCDLSA-N -1 0 344.238 3.712 20 0 EHADRM CC(C)c1ccc(OCC(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000236674496 960728857 /nfs/dbraw/zinc/72/88/57/960728857.db2.gz ZXAUHUWRYGLBPC-UHFFFAOYSA-N -1 0 331.343 3.665 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1Cl ZINC000236728874 960745054 /nfs/dbraw/zinc/74/50/54/960745054.db2.gz FIBQAKUUMJVUJW-QWHCGFSZSA-N -1 0 339.819 3.957 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000236738131 960746178 /nfs/dbraw/zinc/74/61/78/960746178.db2.gz CFYLHSJSDFEYMT-KGLIPLIRSA-N -1 0 333.453 3.728 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1(C)C ZINC000236742506 960747426 /nfs/dbraw/zinc/74/74/26/960747426.db2.gz XZQGBJXPVRZECQ-WBVHZDCISA-N -1 0 331.412 3.717 20 0 EHADRM CC(C)(C)n1nc(C(=O)Nc2cc(C(=O)[O-])ccc2F)cc1C1CC1 ZINC000236773451 960755854 /nfs/dbraw/zinc/75/58/54/960755854.db2.gz CCPIAANYGWGRLZ-UHFFFAOYSA-N -1 0 345.374 3.605 20 0 EHADRM CC(C)c1ccc(-c2nc(C(=O)N(C)C[C@@H](C)C(=O)[O-])cs2)cc1 ZINC000236785761 960757836 /nfs/dbraw/zinc/75/78/36/960757836.db2.gz RMINWSAKYNTHCF-GFCCVEGCSA-N -1 0 346.452 3.726 20 0 EHADRM CCC[C@](C)(NC(=O)c1ccc(OC)c(-c2ccccc2)c1)C(=O)[O-] ZINC000236841760 960772216 /nfs/dbraw/zinc/77/22/16/960772216.db2.gz FGWLDPMGMNKEKF-FQEVSTJZSA-N -1 0 341.407 3.735 20 0 EHADRM Cc1cc(C(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)ns1 ZINC001574315463 960781898 /nfs/dbraw/zinc/78/18/98/960781898.db2.gz NKUJLYXUTBOESR-SSDOTTSWSA-N -1 0 336.438 3.588 20 0 EHADRM CC(NC(=O)c1ccc(C(=O)[O-])o1)(c1ccccc1)c1ccccc1 ZINC000236889153 960789917 /nfs/dbraw/zinc/78/99/17/960789917.db2.gz YYCOARVPMOHXGV-UHFFFAOYSA-N -1 0 335.359 3.671 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NCC2CCc3ccccc3CC2)c1 ZINC001574318143 960804056 /nfs/dbraw/zinc/80/40/56/960804056.db2.gz OGUODQUIYWEGQS-UHFFFAOYSA-N -1 0 337.419 3.618 20 0 EHADRM CCC[C@@](C)(NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)C(=O)[O-] ZINC000236975087 960819639 /nfs/dbraw/zinc/81/96/39/960819639.db2.gz SXMPJHKXEIAFEH-OAHLLOKOSA-N -1 0 343.210 3.848 20 0 EHADRM Cc1cc(C)cc(C2CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC2)c1 ZINC001574325746 960846466 /nfs/dbraw/zinc/84/64/66/960846466.db2.gz SQNXLXRPZBFZQP-UHFFFAOYSA-N -1 0 346.471 3.693 20 0 EHADRM Cc1oc(CN(C)C(=O)c2ccccc2C2(C)CC2)cc1C(=O)[O-] ZINC001262502150 960849019 /nfs/dbraw/zinc/84/90/19/960849019.db2.gz FOEWPLCHJMEDGD-UHFFFAOYSA-N -1 0 327.380 3.610 20 0 EHADRM CCc1oc2ccccc2c1CN(C)C(=O)c1ccc(C(=O)[O-])o1 ZINC000237087975 960866851 /nfs/dbraw/zinc/86/68/51/960866851.db2.gz XJPOTUIXUARGSA-UHFFFAOYSA-N -1 0 327.336 3.559 20 0 EHADRM CCn1c(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc2ccccc21 ZINC000237199061 960883750 /nfs/dbraw/zinc/88/37/50/960883750.db2.gz CPQMHPUGTWTMQF-ZDUSSCGKSA-N -1 0 342.420 3.669 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)ccc1C(=O)OC(C)(C)C ZINC001574332922 960895565 /nfs/dbraw/zinc/89/55/65/960895565.db2.gz GJNXGFKVHJVPSE-AWEZNQCLSA-N -1 0 349.427 3.636 20 0 EHADRM Cc1cc(NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)cc(C)c1Br ZINC001574333919 960902815 /nfs/dbraw/zinc/90/28/15/960902815.db2.gz ROLRPARZYZKGEQ-OAHLLOKOSA-N -1 0 340.217 3.505 20 0 EHADRM Cc1cc(NC(=O)N[C@@H]2COc3c2cccc3Cl)ccc1C(=O)[O-] ZINC001574338340 960925969 /nfs/dbraw/zinc/92/59/69/960925969.db2.gz ONBRQCVDQIXKKJ-CQSZACIVSA-N -1 0 346.770 3.602 20 0 EHADRM Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000237431175 960933899 /nfs/dbraw/zinc/93/38/99/960933899.db2.gz OGMGHYYHPYSNHN-LLVKDONJSA-N -1 0 333.771 3.753 20 0 EHADRM C[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000237541597 960956552 /nfs/dbraw/zinc/95/65/52/960956552.db2.gz MWLJGVDLPVWLFB-SNVBAGLBSA-N -1 0 337.297 3.895 20 0 EHADRM C[C@H](CN(C)C(=O)c1ccccc1SCc1cccs1)C(=O)[O-] ZINC000237573675 960965283 /nfs/dbraw/zinc/96/52/83/960965283.db2.gz SEOPSHFUATWIHX-GFCCVEGCSA-N -1 0 349.477 3.833 20 0 EHADRM Cc1ccc(NC(=O)[C@@H](C)SCc2ccccc2)cc1C(=O)[O-] ZINC000237622039 960976001 /nfs/dbraw/zinc/97/60/01/960976001.db2.gz HJXJRDINUPTVNT-CYBMUJFWSA-N -1 0 329.421 3.954 20 0 EHADRM Cc1cc2sc(NC(=O)[C@@H](C(=O)[O-])C3CCCC3)nc2cc1F ZINC001574348402 960977266 /nfs/dbraw/zinc/97/72/66/960977266.db2.gz WYTHFYKFBHPIJF-ZDUSSCGKSA-N -1 0 336.388 3.573 20 0 EHADRM Cc1cc(C(=O)N(C)CCCC(=O)[O-])c(C)n1[C@@H](C)c1ccccc1 ZINC000237636726 960981379 /nfs/dbraw/zinc/98/13/79/960981379.db2.gz JWPXPYYYSIDXEO-HNNXBMFYSA-N -1 0 342.439 3.651 20 0 EHADRM CC[C@@H](C)Oc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2C)ccn1 ZINC001320894489 960991008 /nfs/dbraw/zinc/99/10/08/960991008.db2.gz MHZBWBZBUFFPEH-GFCCVEGCSA-N -1 0 328.368 3.518 20 0 EHADRM Cc1ccc(NC(=O)Cn2ccc3ccc(Cl)cc32)cc1C(=O)[O-] ZINC000237688167 960997019 /nfs/dbraw/zinc/99/70/19/960997019.db2.gz MRLHUTNEWCWVBD-UHFFFAOYSA-N -1 0 342.782 3.940 20 0 EHADRM Cc1cccc(Nc2ccccc2C(=O)NCCCC(=O)[O-])c1C ZINC000237695873 960999330 /nfs/dbraw/zinc/99/93/30/960999330.db2.gz UUXUVUSPCPGMAL-UHFFFAOYSA-N -1 0 326.396 3.642 20 0 EHADRM Cc1cccc(OCCCCC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC000237707805 961004198 /nfs/dbraw/zinc/00/41/98/961004198.db2.gz KHFODXLTZBYQQH-KRWDZBQOSA-N -1 0 347.455 3.648 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC001574357348 961006960 /nfs/dbraw/zinc/00/69/60/961006960.db2.gz NXDGGBYAABSVKK-HLLBOEOZSA-N -1 0 347.455 3.740 20 0 EHADRM Cc1ccc(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)c(F)c1Cl ZINC001574357549 961009892 /nfs/dbraw/zinc/00/98/92/961009892.db2.gz RYMCTLFQSZEDJX-NSHDSACASA-N -1 0 329.799 3.654 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c(C)n1CC1CC1 ZINC001322667443 961012099 /nfs/dbraw/zinc/01/20/99/961012099.db2.gz XHXIIVZCZBICBE-UHFFFAOYSA-N -1 0 330.359 3.605 20 0 EHADRM CCc1ccc(-c2nc(C(=O)NC(C)(C)CCC(=O)[O-])cs2)cc1 ZINC001322714910 961014307 /nfs/dbraw/zinc/01/43/07/961014307.db2.gz NPKNCDAEHMISCO-UHFFFAOYSA-N -1 0 346.452 3.746 20 0 EHADRM Cc1ccc(CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])c(Oc2ccccc2)c1 ZINC001574367476 961049717 /nfs/dbraw/zinc/04/97/17/961049717.db2.gz IKQFJHCUCXJORZ-DLBZAZTESA-N -1 0 339.391 3.514 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2cc(F)ccc2F)C2CCCC2)o1 ZINC000237969902 961058483 /nfs/dbraw/zinc/05/84/83/961058483.db2.gz SPTPZDGHPCSJFM-UHFFFAOYSA-N -1 0 349.333 3.841 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cn1 ZINC000238026602 961079959 /nfs/dbraw/zinc/07/99/59/961079959.db2.gz GHFFBJJFRQJAOW-UHFFFAOYSA-N -1 0 330.343 3.603 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)s1 ZINC000238026392 961080866 /nfs/dbraw/zinc/08/08/66/961080866.db2.gz XIBTVMCOCPLDEX-AWEZNQCLSA-N -1 0 335.812 3.981 20 0 EHADRM CCCN(C(=O)Nc1ccnc(C(=O)[O-])c1)[C@@H]1CCc2ccccc21 ZINC001573848588 961110365 /nfs/dbraw/zinc/11/03/65/961110365.db2.gz OYONRRBOJLMORT-QGZVFWFLSA-N -1 0 339.395 3.711 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001574382099 961110394 /nfs/dbraw/zinc/11/03/94/961110394.db2.gz LUCXHUQXHZENGW-QGZVFWFLSA-N -1 0 348.402 3.609 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000238132263 961119238 /nfs/dbraw/zinc/11/92/38/961119238.db2.gz CHZNPQGHAKZCAJ-UHFFFAOYSA-N -1 0 333.359 3.851 20 0 EHADRM CC(C)(C)c1ccc(-c2cc(NC(=O)[C@@H](C(=O)[O-])C3CC3)on2)cc1 ZINC001588739144 961145006 /nfs/dbraw/zinc/14/50/06/961145006.db2.gz ATZJJURRAVAFBM-INIZCTEOSA-N -1 0 342.395 3.688 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1ccc(OC(C)(C)C)cn1 ZINC001574389193 961156757 /nfs/dbraw/zinc/15/67/57/961156757.db2.gz MHZGALXCNUBEIJ-UHFFFAOYSA-N -1 0 328.368 3.518 20 0 EHADRM CC(C)c1ocnc1CN(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC001327361518 961157879 /nfs/dbraw/zinc/15/78/79/961157879.db2.gz YQXRDWYYAWZKEY-UHFFFAOYSA-N -1 0 338.354 3.553 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000238209331 961161774 /nfs/dbraw/zinc/16/17/74/961161774.db2.gz FOPWCTDIRQPLEO-UHFFFAOYSA-N -1 0 339.391 3.671 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2csc(-c3ccccc3F)n2)c1 ZINC000238229071 961165958 /nfs/dbraw/zinc/16/59/58/961165958.db2.gz NZMAKMIXPQKJKG-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCCN2C(=O)C1(C(=O)[O-])CC=CC1 ZINC001588741959 961175535 /nfs/dbraw/zinc/17/55/35/961175535.db2.gz OSYOTYYJCMJFTD-UHFFFAOYSA-N -1 0 327.424 3.684 20 0 EHADRM CCCOc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001573862424 961178092 /nfs/dbraw/zinc/17/80/92/961178092.db2.gz SDPZLHDYESRVKF-INIZCTEOSA-N -1 0 346.358 3.562 20 0 EHADRM CC(C)(C)c1nc(C(=O)N2CCCc3cc(C(=O)[O-])ccc32)cs1 ZINC001588747249 961184370 /nfs/dbraw/zinc/18/43/70/961184370.db2.gz UMSXPXMTDAMMAU-UHFFFAOYSA-N -1 0 344.436 3.732 20 0 EHADRM CC(C)(CC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)Cc1ccc(Cl)cc1 ZINC001588754791 961216815 /nfs/dbraw/zinc/21/68/15/961216815.db2.gz LTZAXSKBQZYTRA-HIFRSBDPSA-N -1 0 337.847 3.668 20 0 EHADRM CC(C)(CC(=O)[O-])NC(=O)CC1c2ccccc2Oc2ccccc21 ZINC001588756004 961222157 /nfs/dbraw/zinc/22/21/57/961222157.db2.gz IOUGPNXWPMYJAB-UHFFFAOYSA-N -1 0 339.391 3.684 20 0 EHADRM Cc1ccccc1C1(C(=O)NC[C@H](CC(C)C)C(=O)[O-])CCCC1 ZINC001574401252 961230263 /nfs/dbraw/zinc/23/02/63/961230263.db2.gz CGGYLOWPVULJKY-INIZCTEOSA-N -1 0 331.456 3.670 20 0 EHADRM CC(C)(CCNC(=O)/C(F)=C/c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001588767460 961247607 /nfs/dbraw/zinc/24/76/07/961247607.db2.gz GRQRIXHODMXFPO-XFXZXTDPSA-N -1 0 347.308 3.633 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCN(C(=O)NCCC(C)(C)C(=O)[O-])C2 ZINC001588774586 961273728 /nfs/dbraw/zinc/27/37/28/961273728.db2.gz QWQLJGYIOZBLFQ-UHFFFAOYSA-N -1 0 346.471 3.553 20 0 EHADRM Cc1nc2cccc(Cl)c2cc1C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001574426500 961367427 /nfs/dbraw/zinc/36/74/27/961367427.db2.gz HXPRNMSNVCQPAD-UHFFFAOYSA-N -1 0 341.754 3.542 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000261790173 961392197 /nfs/dbraw/zinc/39/21/97/961392197.db2.gz YTMVHTUMWKTWBR-PEDHHIEDSA-N -1 0 347.377 3.599 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000261859911 961394848 /nfs/dbraw/zinc/39/48/48/961394848.db2.gz KGKSLTMDEVTACU-UHFFFAOYSA-N -1 0 346.452 3.647 20 0 EHADRM Cc1cc(C)cc(C2(C(=O)Nc3cc(C(=O)[O-])ccc3F)CC2)c1 ZINC000261919011 961398396 /nfs/dbraw/zinc/39/83/96/961398396.db2.gz XKLPESKNQVNUKO-UHFFFAOYSA-N -1 0 327.355 3.811 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000262121553 961478004 /nfs/dbraw/zinc/47/80/04/961478004.db2.gz JRSSSCNORYMOHW-PKOBYXMFSA-N -1 0 337.419 3.770 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)NCc1cccc(Oc2ccccc2F)c1 ZINC001588808112 961493321 /nfs/dbraw/zinc/49/33/21/961493321.db2.gz RGTSDJVEKNCSBT-KRWDZBQOSA-N -1 0 345.370 3.591 20 0 EHADRM CSc1cc(C(=O)N[C@H](CC2CC2)C(=O)[O-])c(Cl)cc1Cl ZINC000262144458 961498454 /nfs/dbraw/zinc/49/84/54/961498454.db2.gz APFNZSNLPJPOKX-LLVKDONJSA-N -1 0 348.251 3.698 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@H]1CCC[C@@H](F)C1)c1cccc2ccccc21 ZINC001332189045 961524230 /nfs/dbraw/zinc/52/42/30/961524230.db2.gz HKLGPXCAAZUNAK-VBQJREDUSA-N -1 0 329.371 3.610 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)OCc1cc(Cl)ccc1OCC1CC1 ZINC001588812783 961533271 /nfs/dbraw/zinc/53/32/71/961533271.db2.gz HQLYJHMTIBQXRH-HNNXBMFYSA-N -1 0 340.803 3.529 20 0 EHADRM C[C@H]1C[C@H]1CNC(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000262197655 961543896 /nfs/dbraw/zinc/54/38/96/961543896.db2.gz UFEWCVAUYFLMSP-RYUDHWBXSA-N -1 0 345.420 3.656 20 0 EHADRM Cc1cc(C)cc([C@H](C)NC(=O)CCc2ccccc2C(=O)[O-])c1 ZINC000262206123 961552608 /nfs/dbraw/zinc/55/26/08/961552608.db2.gz PDNKUXCNLGRIDN-HNNXBMFYSA-N -1 0 325.408 3.812 20 0 EHADRM Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC[C@H]3C(=O)[O-])cc2)c1 ZINC000262211926 961558080 /nfs/dbraw/zinc/55/80/80/961558080.db2.gz TVWZTMPDOOQRHS-DLBZAZTESA-N -1 0 325.364 3.837 20 0 EHADRM C[C@@]1(NC(=O)CCc2ccccc2C(=O)[O-])CCCc2ccccc21 ZINC000262231624 961574979 /nfs/dbraw/zinc/57/49/79/961574979.db2.gz SMEOTRFAOBJWTQ-OAQYLSRUSA-N -1 0 337.419 3.685 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000262232059 961576795 /nfs/dbraw/zinc/57/67/95/961576795.db2.gz VKVHNVBWJJZKCU-CAIRHXIQSA-N -1 0 327.424 3.582 20 0 EHADRM CCS[C@H]1CC[C@H](N(C)C(=O)C2(C(=O)[O-])CCCCCC2)C1 ZINC001573932006 961583548 /nfs/dbraw/zinc/58/35/48/961583548.db2.gz KZRIMQZKQSDBCO-KBPBESRZSA-N -1 0 327.490 3.544 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)[C@H]1OCCc2sccc21 ZINC001332613384 961602157 /nfs/dbraw/zinc/60/21/57/961602157.db2.gz HGKBHXMJOFHBAB-BDJLRTHQSA-N -1 0 345.420 3.643 20 0 EHADRM CC(C)[C@@H](CNC(=O)N1CC2(CCCC2)c2c1cccc2F)C(=O)[O-] ZINC001588822162 961634168 /nfs/dbraw/zinc/63/41/68/961634168.db2.gz BTJJCNHPQQLHPM-CYBMUJFWSA-N -1 0 348.418 3.524 20 0 EHADRM Cc1ccc(O[C@@H](C)C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC000262342543 961657642 /nfs/dbraw/zinc/65/76/42/961657642.db2.gz AMJKWURBVXCWJB-AWEZNQCLSA-N -1 0 327.380 3.716 20 0 EHADRM CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001588829506 961684509 /nfs/dbraw/zinc/68/45/09/961684509.db2.gz HDEGNNOFKZTBMJ-QJPTWQEYSA-N -1 0 344.238 3.570 20 0 EHADRM CC(C)[C@@H](CNc1ccnc(CSc2ccccc2)n1)C(=O)[O-] ZINC001588831156 961722983 /nfs/dbraw/zinc/72/29/83/961722983.db2.gz GTXPTEZSSDTOJE-CQSZACIVSA-N -1 0 331.441 3.538 20 0 EHADRM Cc1oc(CN(C)C(=O)c2csc3c2CC[C@H](C)C3)cc1C(=O)[O-] ZINC000262527823 961761679 /nfs/dbraw/zinc/76/16/79/961761679.db2.gz RYKOOYGUTUJVAD-JTQLQIEISA-N -1 0 347.436 3.745 20 0 EHADRM CN(C(=O)NCc1ccc(C(=O)[O-])cc1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC001573980193 961766794 /nfs/dbraw/zinc/76/67/94/961766794.db2.gz ZELGZHQQCLMGIV-HZPDHXFCSA-N -1 0 332.444 3.741 20 0 EHADRM Cc1cc(C)c(CC(=O)Nc2cccc(CCC(=O)[O-])c2)c(C)c1 ZINC000262712021 961818373 /nfs/dbraw/zinc/81/83/73/961818373.db2.gz BVXRVNJSJFURIK-UHFFFAOYSA-N -1 0 325.408 3.810 20 0 EHADRM CC(C)[C@H]1N(C(=O)Nc2cccc(CC(=O)[O-])c2)CC12CC=CC2 ZINC001588842781 961828830 /nfs/dbraw/zinc/82/88/30/961828830.db2.gz OECRNPZVZOUONJ-QGZVFWFLSA-N -1 0 328.412 3.522 20 0 EHADRM CCc1ccc(C(C)(C)C(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000262748113 961845428 /nfs/dbraw/zinc/84/54/28/961845428.db2.gz LOCFANSTIOXXAL-UHFFFAOYSA-N -1 0 325.408 3.792 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCC(=O)c2ccc3ccccc3c2)ccn1 ZINC001574515569 961845879 /nfs/dbraw/zinc/84/58/79/961845879.db2.gz LJXONGPJBYDDPY-UHFFFAOYSA-N -1 0 348.358 3.535 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)[C@H]2Cc3ccccc3S2)cc1)C(=O)[O-] ZINC000262768436 961857454 /nfs/dbraw/zinc/85/74/54/961857454.db2.gz LDLSKELKICQRQT-SJKOYZFVSA-N -1 0 341.432 3.605 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)CC1c2ccccc2Oc2ccccc21 ZINC001574004660 961883428 /nfs/dbraw/zinc/88/34/28/961883428.db2.gz GUKHNAVGSXBURX-UHFFFAOYSA-N -1 0 339.391 3.638 20 0 EHADRM CCC(CC)(C(=O)N[C@H](CC(F)F)C(=O)[O-])c1ccc(Cl)cc1 ZINC000262856525 961921169 /nfs/dbraw/zinc/92/11/69/961921169.db2.gz AHIPJPAATUUTMR-GFCCVEGCSA-N -1 0 347.789 3.622 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ccc(F)cc1 ZINC000262883116 961957562 /nfs/dbraw/zinc/95/75/62/961957562.db2.gz KSTULWIFYUNKGP-VUNQQRPYSA-N -1 0 347.430 3.717 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)NC1(CC(=O)[O-])CCCC1 ZINC000262898634 961975944 /nfs/dbraw/zinc/97/59/44/961975944.db2.gz MBEDQJITJQNQKR-LLVKDONJSA-N -1 0 341.860 3.724 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)N[C@H](C)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC000262904023 961982435 /nfs/dbraw/zinc/98/24/35/961982435.db2.gz DCMRZKYUSDQBOU-BFYDXBDKSA-N -1 0 347.455 3.790 20 0 EHADRM CCc1occc1C(=O)N[C@@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC000262915595 961997642 /nfs/dbraw/zinc/99/76/42/961997642.db2.gz DWLPKUCPNCNQBK-PBHICJAKSA-N -1 0 341.407 3.535 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2cccc(Cl)c2F)c2ccccc21 ZINC001574558201 962001732 /nfs/dbraw/zinc/00/17/32/962001732.db2.gz OTQUDSDDCUOPAW-TZMCWYRMSA-N -1 0 333.746 3.522 20 0 EHADRM Cc1oc(CN(C)Cc2c(C3CC3)nc3sccn23)cc1C(=O)[O-] ZINC001339118296 962004400 /nfs/dbraw/zinc/00/44/00/962004400.db2.gz OLFPDHULSXLHPM-UHFFFAOYSA-N -1 0 345.424 3.505 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 ZINC001339493385 962029347 /nfs/dbraw/zinc/02/93/47/962029347.db2.gz OQIDNOKZGCKNBJ-SECBINFHSA-N -1 0 336.413 3.531 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)NCC2CCCCCC2)c2ccccc21 ZINC001574567204 962041988 /nfs/dbraw/zinc/04/19/88/962041988.db2.gz CVIHUDXXIJSQSM-IRXDYDNUSA-N -1 0 330.428 3.569 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)COc1cccc(C(C)C)c1 ZINC000262958832 962044059 /nfs/dbraw/zinc/04/40/59/962044059.db2.gz NPTNBFZIDQPQAL-UHFFFAOYSA-N -1 0 343.379 3.534 20 0 EHADRM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(C(=O)[O-])ccn1 ZINC000262965704 962051808 /nfs/dbraw/zinc/05/18/08/962051808.db2.gz AMTDSNFZABWEMW-SJLPKXTDSA-N -1 0 338.407 3.578 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC000262967024 962053736 /nfs/dbraw/zinc/05/37/36/962053736.db2.gz OJANFKPSKHPKMZ-ZDUSSCGKSA-N -1 0 327.380 3.519 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000262988490 962080615 /nfs/dbraw/zinc/08/06/15/962080615.db2.gz QAEUBHSSYALTIR-VOJFVSQTSA-N -1 0 345.370 3.578 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000262995143 962086874 /nfs/dbraw/zinc/08/68/74/962086874.db2.gz VSOGHJQLPKEVLK-DLBZAZTESA-N -1 0 343.810 3.589 20 0 EHADRM C/C(=C/C(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1)c1ccc(F)cc1 ZINC001340564785 962103107 /nfs/dbraw/zinc/10/31/07/962103107.db2.gz UMONERBGSBRPAJ-DEQJRXDXSA-N -1 0 341.382 3.870 20 0 EHADRM Cc1cc(Cl)cc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1 ZINC000263020789 962126720 /nfs/dbraw/zinc/12/67/20/962126720.db2.gz YAQTWQNLRVXXDX-DLBZAZTESA-N -1 0 343.810 3.589 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1ccc(C2CC2)cc1F)c1ccccc1 ZINC001574600044 962159865 /nfs/dbraw/zinc/15/98/65/962159865.db2.gz QTRUNKHGZSIYMD-INIZCTEOSA-N -1 0 328.343 3.651 20 0 EHADRM Cc1oc(CNC(=O)C2(Cc3ccccc3Cl)CC2)cc1C(=O)[O-] ZINC000263041943 962166161 /nfs/dbraw/zinc/16/61/61/962166161.db2.gz DSWNVNBAZRIRIR-UHFFFAOYSA-N -1 0 347.798 3.579 20 0 EHADRM C[C@@H](CCC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-])c1ccccc1 ZINC000263046599 962175549 /nfs/dbraw/zinc/17/55/49/962175549.db2.gz FCRZKAXCYFLFPB-MGPUTAFESA-N -1 0 337.419 3.781 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)N[C@H]1CCC[C@H](c2ccccc2)C1 ZINC001574607928 962179881 /nfs/dbraw/zinc/17/98/81/962179881.db2.gz XEXBNYQLWDYHCY-GJZGRUSLSA-N -1 0 339.395 3.628 20 0 EHADRM CC[C@H](C(=O)NC[C@@](CC)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000263060867 962200057 /nfs/dbraw/zinc/20/00/57/962200057.db2.gz RZRMZOFXCFFPFK-GHTZIAJQSA-N -1 0 339.435 3.729 20 0 EHADRM C[C@@H](Oc1ccccc1NC(=O)NCCCC(=O)[O-])c1ccccc1 ZINC000263071280 962212377 /nfs/dbraw/zinc/21/23/77/962212377.db2.gz PYGOABQZFVWFOJ-CQSZACIVSA-N -1 0 342.395 3.813 20 0 EHADRM Cc1c(C(=O)Nc2ccc(OC(C)C)cc2C(=O)[O-])cnn1C(C)C ZINC001344604296 962216043 /nfs/dbraw/zinc/21/60/43/962216043.db2.gz DNCVXPODUCSIKJ-UHFFFAOYSA-N -1 0 345.399 3.510 20 0 EHADRM C[C@@H](C(=O)N1CCC[C@@](C)(C(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000263081534 962225745 /nfs/dbraw/zinc/22/57/45/962225745.db2.gz USMSCHMSUCMKLA-QLJPJBMISA-N -1 0 344.238 3.810 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)CC(=O)[O-] ZINC001588894665 962229303 /nfs/dbraw/zinc/22/93/03/962229303.db2.gz SSYHVALJZYEEII-VBNZEHGJSA-N -1 0 337.847 3.697 20 0 EHADRM O=C([O-])[C@H](C(=O)OCc1cccc(C(F)(F)F)c1)C1CCCC1 ZINC001574620551 962242353 /nfs/dbraw/zinc/24/23/53/962242353.db2.gz CXTQYKNJGJZHMI-CYBMUJFWSA-N -1 0 330.302 3.640 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](C(=O)Nc2cccc(COC3CCCCC3)c2)C1 ZINC001345718277 962273806 /nfs/dbraw/zinc/27/38/06/962273806.db2.gz HMISGODGHABPEU-GASCZTMLSA-N -1 0 331.412 3.585 20 0 EHADRM CC(C)Cc1ccc(CCCC(=O)N(CC(=O)[O-])CC2CC2)cc1 ZINC001588906071 962274164 /nfs/dbraw/zinc/27/41/64/962274164.db2.gz IGSJVTDRRLLAIL-UHFFFAOYSA-N -1 0 331.456 3.531 20 0 EHADRM CC(C)Cc1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)s1 ZINC001588906195 962277326 /nfs/dbraw/zinc/27/73/26/962277326.db2.gz PHHBQAXFDUEULE-GOSISDBHSA-N -1 0 331.437 3.676 20 0 EHADRM O=C([O-])C1(C(=O)N[C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CCC1 ZINC001574626006 962277559 /nfs/dbraw/zinc/27/75/59/962277559.db2.gz FFSRDCQGMVJMTF-DZGCQCFKSA-N -1 0 335.831 3.737 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)Nc2ccc(C(=O)[O-])cn2)c1 ZINC001588906296 962280865 /nfs/dbraw/zinc/28/08/65/962280865.db2.gz XELBTCXIHWIHRR-CYBMUJFWSA-N -1 0 326.396 3.721 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CC[C@H](c2ccccc2)C1(C)C ZINC000263144246 962296859 /nfs/dbraw/zinc/29/68/59/962296859.db2.gz GYVVVLDXUPKNQB-OAHLLOKOSA-N -1 0 341.407 3.623 20 0 EHADRM O=C([O-])C1(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)CCCCCC1 ZINC001574633058 962304979 /nfs/dbraw/zinc/30/49/79/962304979.db2.gz HTNAWBBNMUEYHT-LSDHHAIUSA-N -1 0 335.831 3.737 20 0 EHADRM O=C([O-])[C@]1(C(=O)N[C@H]2C[C@H](c3ccccc3Cl)C2)CC=CCC1 ZINC001574633150 962305701 /nfs/dbraw/zinc/30/57/01/962305701.db2.gz KURONWFOEVGOOO-SNUQEOBHSA-N -1 0 333.815 3.513 20 0 EHADRM O=C([O-])C1(C(=O)NCc2c(Cl)cccc2Cl)CCCCC1 ZINC001574633589 962315087 /nfs/dbraw/zinc/31/50/87/962315087.db2.gz NKXNPZLIQUYEJR-UHFFFAOYSA-N -1 0 330.211 3.645 20 0 EHADRM O=C([O-])c1ccc(CN2CCC(C(=O)c3cccs3)CC2)c(F)c1 ZINC001346232088 962328102 /nfs/dbraw/zinc/32/81/02/962328102.db2.gz NAXBLFNMFYBFLO-UHFFFAOYSA-N -1 0 347.411 3.680 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000263181708 962336070 /nfs/dbraw/zinc/33/60/70/962336070.db2.gz LSIWRLOVTXBBGJ-KBPBESRZSA-N -1 0 333.453 3.680 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)C2(Cc3ccccc3F)CC2)cc1 ZINC000263192573 962347055 /nfs/dbraw/zinc/34/70/55/962347055.db2.gz ISPFIUZJLHIZNW-CYBMUJFWSA-N -1 0 341.382 3.975 20 0 EHADRM C[C@H](CC(=O)NCc1ccc(C(=O)[O-])s1)c1ccc(F)cc1F ZINC000263195574 962349880 /nfs/dbraw/zinc/34/98/80/962349880.db2.gz LUXLPHSHZGAKIO-SECBINFHSA-N -1 0 339.363 3.535 20 0 EHADRM CCC[C@@H](C(=O)Nc1ccc(CC(=O)[O-])c(F)c1)c1ccccc1 ZINC000263199544 962356034 /nfs/dbraw/zinc/35/60/34/962356034.db2.gz MERFZARXURRDHL-MRXNPFEDSA-N -1 0 329.371 3.975 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000263213319 962368246 /nfs/dbraw/zinc/36/82/46/962368246.db2.gz LTJBUBKSXZTCID-ZBEGNZNMSA-N -1 0 341.860 3.534 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3CCC[C@@H](C4CCCC4)C3)(CC1)CC2 ZINC001346383114 962368714 /nfs/dbraw/zinc/36/87/14/962368714.db2.gz MITLRFXXBKEYLH-PBPGXSGUSA-N -1 0 333.472 3.840 20 0 EHADRM O=C([O-])c1csc(-c2cccc(CNC(=O)CCC3CCC3)c2)n1 ZINC000263217791 962371265 /nfs/dbraw/zinc/37/12/65/962371265.db2.gz PZMZYFUVSZTOHB-UHFFFAOYSA-N -1 0 344.436 3.705 20 0 EHADRM CCOc1ccccc1-c1cccc(C(=O)N[C@@](C)(CC)C(=O)[O-])c1 ZINC000263258775 962399054 /nfs/dbraw/zinc/39/90/54/962399054.db2.gz LNNQRIZFESBRGC-FQEVSTJZSA-N -1 0 341.407 3.735 20 0 EHADRM CCCC[C@H](CC)C(=O)N[C@@](C)(CC(=O)[O-])c1cccc(OC)c1 ZINC000263274648 962413260 /nfs/dbraw/zinc/41/32/60/962413260.db2.gz XWOXNKFNSUWFCP-LIRRHRJNSA-N -1 0 335.444 3.718 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCc3c2cccc3-c2ccccc2)C1 ZINC000263289973 962429677 /nfs/dbraw/zinc/42/96/77/962429677.db2.gz LZZKMUYUFYJRNU-JKSUJKDBSA-N -1 0 335.403 3.744 20 0 EHADRM Cc1cc(C)c(CC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c(C)c1 ZINC000263339031 962488065 /nfs/dbraw/zinc/48/80/65/962488065.db2.gz RNFKQBDTSNRQDW-HNNXBMFYSA-N -1 0 325.408 3.981 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)NCCc2cc3ccccc3s2)co1 ZINC001574666025 962509752 /nfs/dbraw/zinc/50/97/52/962509752.db2.gz QHDVGHKJUHJZGE-AATRIKPKSA-N -1 0 341.388 3.565 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)Nc2cccc(CC(F)(F)F)c2)co1 ZINC001574666553 962519944 /nfs/dbraw/zinc/51/99/44/962519944.db2.gz DFDZMIBKANRQQA-PLNGDYQASA-N -1 0 339.269 3.735 20 0 EHADRM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000263371567 962530364 /nfs/dbraw/zinc/53/03/64/962530364.db2.gz YKRVAHWRMIQNAQ-QWHCGFSZSA-N -1 0 341.382 3.601 20 0 EHADRM O=C([O-])C1CCC(NC(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC000263392538 962553027 /nfs/dbraw/zinc/55/30/27/962553027.db2.gz QRIVQCPXQFENNI-FPQWYMTMSA-N -1 0 344.455 3.655 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N3CCC[C@@]3(C)C(=O)[O-])o2)cc1 ZINC000263411509 962578688 /nfs/dbraw/zinc/57/86/88/962578688.db2.gz HBZLAXYXKJUAAK-IBGZPJMESA-N -1 0 327.380 3.588 20 0 EHADRM Cc1oc(CNC(=O)c2cc(C3CC3)oc2C2CC2)cc1C(=O)[O-] ZINC001352882342 962639971 /nfs/dbraw/zinc/63/99/71/962639971.db2.gz IHPZAWGFNOFREB-UHFFFAOYSA-N -1 0 329.352 3.564 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)Nc2ccc(OCC3CC3)cc2)C1 ZINC001574692398 962649903 /nfs/dbraw/zinc/64/99/03/962649903.db2.gz YYCCXIAMROWVFG-AWEZNQCLSA-N -1 0 346.427 3.584 20 0 EHADRM CC(C)c1ccc(SCC(=O)Nc2cccnc2C(=O)[O-])cc1 ZINC001588968063 962655537 /nfs/dbraw/zinc/65/55/37/962655537.db2.gz AHROHQLWXIFFAO-UHFFFAOYSA-N -1 0 330.409 3.634 20 0 EHADRM O=C([O-])C1CCC(NC(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)CC1 ZINC000263498948 962683347 /nfs/dbraw/zinc/68/33/47/962683347.db2.gz UTHVQXIYGGCZNL-JCYILVPMSA-N -1 0 342.439 3.567 20 0 EHADRM COc1ccc(CC[C@@H](C)Nc2cccc(CCC(=O)[O-])c2)cc1O ZINC000263513901 962696052 /nfs/dbraw/zinc/69/60/52/962696052.db2.gz OEFZIVWINPCFOP-CQSZACIVSA-N -1 0 343.423 3.851 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)cc(C)c1F ZINC000263523335 962702960 /nfs/dbraw/zinc/70/29/60/962702960.db2.gz IKVCHEUPSSEQCC-UHFFFAOYSA-N -1 0 345.370 3.938 20 0 EHADRM CC(C)(CNC(=O)CCCCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000263571942 962738005 /nfs/dbraw/zinc/73/80/05/962738005.db2.gz KDXLHZLCPAJKMV-UHFFFAOYSA-N -1 0 345.361 3.744 20 0 EHADRM COc1cc(C(=O)Nc2c(C)cccc2C(=O)[O-])c2ccccc2n1 ZINC001574177744 962807198 /nfs/dbraw/zinc/80/71/98/962807198.db2.gz VZYIHCXWFFRNLZ-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM COc1ccc(/C(C)=C\C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC001574201839 962889740 /nfs/dbraw/zinc/88/97/40/962889740.db2.gz GXIMIGTWOGSUIA-LUAWRHEFSA-N -1 0 329.327 3.575 20 0 EHADRM CC(C)c1ccsc1C(=O)N1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001526739734 962890901 /nfs/dbraw/zinc/89/09/01/962890901.db2.gz REDNTRQOCJNLBV-UHFFFAOYSA-N -1 0 348.424 3.578 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001549911856 962983548 /nfs/dbraw/zinc/98/35/48/962983548.db2.gz PONMJFNESJBHIJ-KDOFPFPSSA-N -1 0 347.411 3.818 20 0 EHADRM CCCC[C@@H](C)C(=O)Nc1cc(Br)ccc1C(=O)[O-] ZINC000302351097 963076932 /nfs/dbraw/zinc/07/69/32/963076932.db2.gz KCHTVIRYFUXWDA-SECBINFHSA-N -1 0 328.206 3.912 20 0 EHADRM COc1ccc(Cl)cc1NC(=O)NCCCCCCC(=O)[O-] ZINC000314939683 963832250 /nfs/dbraw/zinc/83/22/50/963832250.db2.gz QNCATTZILFKVOB-UHFFFAOYSA-N -1 0 328.796 3.505 20 0 EHADRM C[C@@H](NCc1ccc(C(F)(F)F)cc1)c1ncc(C(=O)[O-])s1 ZINC000315291849 963875311 /nfs/dbraw/zinc/87/53/11/963875311.db2.gz HYUFZMBGLZBEIJ-MRVPVSSYSA-N -1 0 330.331 3.711 20 0 EHADRM COc1ccc(CNc2cc(C(=O)[O-])c(F)cc2F)cc1Cl ZINC000315843619 963942283 /nfs/dbraw/zinc/94/22/83/963942283.db2.gz GKXBNTBDPGTCQT-UHFFFAOYSA-N -1 0 327.714 3.937 20 0 EHADRM COCCc1nc(=N[C@@H](CC(C)(C)C)c2ccc(F)cc2)s[n-]1 ZINC000426549262 1032073992 /nfs/dbraw/zinc/07/39/92/1032073992.db2.gz PPDQXKPQEFEQDX-AWEZNQCLSA-N -1 0 337.464 3.877 20 0 EHADRM Cc1cc(Br)ccc1NC(=O)NC(C)(C)CCC(=O)[O-] ZINC000050196590 967534551 /nfs/dbraw/zinc/53/45/51/967534551.db2.gz PDQDYHPEFDNSCL-UHFFFAOYSA-N -1 0 343.221 3.522 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000220356983 967693233 /nfs/dbraw/zinc/69/32/33/967693233.db2.gz IZGVDDJKMMUDAS-UHFFFAOYSA-N -1 0 338.190 3.551 20 0 EHADRM Cc1c(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)sc2cccc(F)c12 ZINC000261618917 967805960 /nfs/dbraw/zinc/80/59/60/967805960.db2.gz BYCWBDXSECIHKM-GXSJLCMTSA-N -1 0 335.400 3.532 20 0 EHADRM COc1cccc(-c2ccc(CNC(=O)CCCCC(=O)[O-])cc2)c1 ZINC000263231935 967864452 /nfs/dbraw/zinc/86/44/52/967864452.db2.gz AXXATGOHMOYOMT-UHFFFAOYSA-N -1 0 341.407 3.623 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000263357797 967879200 /nfs/dbraw/zinc/87/92/00/967879200.db2.gz XNQMWGBXQMTEMB-UXLLHSPISA-N -1 0 333.403 3.674 20 0 EHADRM CC[C@H](NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000263357302 967879409 /nfs/dbraw/zinc/87/94/09/967879409.db2.gz RDXCIICTKLYONO-KYOSRNDESA-N -1 0 338.835 3.543 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN1C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000263410310 967889231 /nfs/dbraw/zinc/88/92/31/967889231.db2.gz GVXQLUGOWQGDTD-HEHGZKQESA-N -1 0 342.222 3.563 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2Cl)CC[C@H]1C(=O)[O-] ZINC000313840560 967963138 /nfs/dbraw/zinc/96/31/38/967963138.db2.gz KFXKOXJWCVMEEO-PSASIEDQSA-N -1 0 331.199 3.568 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)C1 ZINC000324857345 968035446 /nfs/dbraw/zinc/03/54/46/968035446.db2.gz GVNZGOQKTIMSIP-LJQANCHMSA-N -1 0 328.412 3.502 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cc(Cl)nc3ccccc32)C1 ZINC000326374928 968044566 /nfs/dbraw/zinc/04/45/66/968044566.db2.gz KJWQRZLUMXUXLN-LBPRGKRZSA-N -1 0 346.814 3.605 20 0 EHADRM CCCC1CCC(NC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)CC1 ZINC000327512374 968049118 /nfs/dbraw/zinc/04/91/18/968049118.db2.gz MLTJALZYEYIFFX-JFUPDXTOSA-N -1 0 344.455 3.739 20 0 EHADRM CC(C)(C)c1ccc(OCCCC(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000345209086 968054345 /nfs/dbraw/zinc/05/43/45/968054345.db2.gz OPSKBWZGQIRWRO-QGZVFWFLSA-N -1 0 347.455 3.609 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1ccc(Cl)cc1Cl ZINC000397066242 968243321 /nfs/dbraw/zinc/24/33/21/968243321.db2.gz IKDVOXMKZTXUFI-BDAKNGLRSA-N -1 0 331.199 3.710 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1)C(=O)[O-] ZINC000424404287 968363225 /nfs/dbraw/zinc/36/32/25/968363225.db2.gz CBHQLAKOAAQNIP-KFWWJZLASA-N -1 0 336.432 3.509 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000532867396 968399134 /nfs/dbraw/zinc/39/91/34/968399134.db2.gz MOJIKTXTVGDEOD-NEPJUHHUSA-N -1 0 341.860 3.534 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc2nc(C(C)(C)C)sc2c1)C(=O)[O-] ZINC000577431984 968463609 /nfs/dbraw/zinc/46/36/09/968463609.db2.gz JZANBLYRYQONNX-SNVBAGLBSA-N -1 0 335.429 3.579 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cccc(Cl)c2Cl)C[C@H]1C(=O)[O-] ZINC000577512858 968463733 /nfs/dbraw/zinc/46/37/33/968463733.db2.gz FAFUDDHKASHKMU-RKDXNWHRSA-N -1 0 331.199 3.568 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)N[C@H](C(=O)[O-])C(C)C)ccc21 ZINC000578163296 968465466 /nfs/dbraw/zinc/46/54/66/968465466.db2.gz NZJYWKWYLIHUGQ-INIZCTEOSA-N -1 0 331.416 3.528 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1nnc(-c2ccc(C)cc2C)s1 ZINC000653300208 968645033 /nfs/dbraw/zinc/64/50/33/968645033.db2.gz OYGVJTLIPZZRHP-UHFFFAOYSA-N -1 0 347.440 3.651 20 0 EHADRM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000655567394 968682007 /nfs/dbraw/zinc/68/20/07/968682007.db2.gz NMJZNMFYMGJNNQ-HOCLYGCPSA-N -1 0 334.460 3.538 20 0 EHADRM O=C([O-])[C@H](C(=O)N1CC[C@@H](CSc2ccccc2)C1)C1CCCC1 ZINC000656851438 968722130 /nfs/dbraw/zinc/72/21/30/968722130.db2.gz BENZMJSVFUKJCB-PBHICJAKSA-N -1 0 347.480 3.518 20 0 EHADRM C[C@H](NC(=O)[C@]1(c2ccccc2)CC1(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000659767527 968747572 /nfs/dbraw/zinc/74/75/72/968747572.db2.gz QOMTZWIMRNQASZ-RYSHRAHSSA-N -1 0 343.467 3.606 20 0 EHADRM CC[C@H](NC(=O)Nc1cc2oc3ccccc3c2cc1OC)C(=O)[O-] ZINC000788317414 969174486 /nfs/dbraw/zinc/17/44/86/969174486.db2.gz DZXZTFJDHCOPIM-LBPRGKRZSA-N -1 0 342.351 3.579 20 0 EHADRM CCN(C(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C)[C@H](C)C(=O)[O-] ZINC000851696358 969280122 /nfs/dbraw/zinc/28/01/22/969280122.db2.gz QHDAENDLFFEJIX-GOEBONIOSA-N -1 0 342.439 3.649 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(SC(F)F)cc2)CC[C@H]1C(=O)[O-] ZINC000864586090 969331284 /nfs/dbraw/zinc/33/12/84/969331284.db2.gz OVZZJTCYKSUXIC-BXKDBHETSA-N -1 0 344.383 3.576 20 0 EHADRM CC(C)C[C@@H](Nc1nc(C(F)F)nc2ccc(F)cc21)C(=O)[O-] ZINC000900938521 969422742 /nfs/dbraw/zinc/42/27/42/969422742.db2.gz AEFBDWZXZLMXED-LLVKDONJSA-N -1 0 327.306 3.618 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2nc(-c3ccccc3)cs2)C1 ZINC001341111235 969746859 /nfs/dbraw/zinc/74/68/59/969746859.db2.gz RYMDUTDVQYAQRQ-SFHVURJKSA-N -1 0 344.436 3.527 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cccc(-c3ccoc3)c2)C1 ZINC001342629599 969755670 /nfs/dbraw/zinc/75/56/70/969755670.db2.gz XNKNHQYIVCDFJU-IBGZPJMESA-N -1 0 327.380 3.664 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)c1cccc(OC(F)F)c1 ZINC000317888223 970394814 /nfs/dbraw/zinc/39/48/14/970394814.db2.gz KWCATZUVOWLJAD-UHFFFAOYSA-N -1 0 327.308 3.608 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000318119609 970411220 /nfs/dbraw/zinc/41/12/20/970411220.db2.gz WKQSSBLELHTPSW-UHFFFAOYSA-N -1 0 340.744 3.569 20 0 EHADRM C[C@@H](C(=O)[O-])c1noc(-c2[nH]c3ccc(Cl)cc3c2Cl)n1 ZINC001609717990 970494006 /nfs/dbraw/zinc/49/40/06/970494006.db2.gz IIOLJRQLGWHQLB-RXMQYKEDSA-N -1 0 326.139 3.713 20 0 EHADRM O=C([O-])c1cc(F)ccc1COc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000319411029 970533076 /nfs/dbraw/zinc/53/30/76/970533076.db2.gz DFJJWNQJXJFWSS-UHFFFAOYSA-N -1 0 325.679 3.665 20 0 EHADRM C[C@H](Oc1ccccc1F)c1nnc(-c2cccc(C(=O)[O-])c2)o1 ZINC001609804477 970534130 /nfs/dbraw/zinc/53/41/30/970534130.db2.gz QAMHUQQCOPNSOT-JTQLQIEISA-N -1 0 328.299 3.714 20 0 EHADRM C[C@@H](Oc1ccccc1F)c1nnc(-c2cccc(C(=O)[O-])c2)o1 ZINC001609804478 970534258 /nfs/dbraw/zinc/53/42/58/970534258.db2.gz QAMHUQQCOPNSOT-SNVBAGLBSA-N -1 0 328.299 3.714 20 0 EHADRM CN(C(=O)Cc1ccc(Cl)cc1Cl)C1(C(=O)[O-])CCCCC1 ZINC000319845572 970579587 /nfs/dbraw/zinc/57/95/87/970579587.db2.gz FJJGLGPYQWMZKB-UHFFFAOYSA-N -1 0 344.238 3.782 20 0 EHADRM C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000320245249 970637296 /nfs/dbraw/zinc/63/72/96/970637296.db2.gz ZDCJSIXVXQQWMB-VIFPVBQESA-N -1 0 337.734 3.583 20 0 EHADRM COc1ccc(SCCOc2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000320547835 970677455 /nfs/dbraw/zinc/67/74/55/970677455.db2.gz PPXJJGKVRDOOON-NYYWCZLTSA-N -1 0 330.405 3.964 20 0 EHADRM CCC(C)(C)OCc1ccccc1NC(=O)N[C@H](C(=O)[O-])C(C)C ZINC001610120804 970678960 /nfs/dbraw/zinc/67/89/60/970678960.db2.gz ZLTDWZPCYUUMDX-HNNXBMFYSA-N -1 0 336.432 3.623 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)Oc1ccccc1Cl ZINC000320644097 970690303 /nfs/dbraw/zinc/69/03/03/970690303.db2.gz IPRCAUJKDOLHJH-NSHDSACASA-N -1 0 333.771 3.753 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)c2cc3c(s2)CCCCCC3)C1 ZINC000320775024 970713224 /nfs/dbraw/zinc/71/32/24/970713224.db2.gz UNDDMZIZNGLPJH-SFHVURJKSA-N -1 0 335.469 3.734 20 0 EHADRM CSc1ccc(Cl)c(NC(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1 ZINC001604964698 972550540 /nfs/dbraw/zinc/55/05/40/972550540.db2.gz AXFPKPIUBSJVJM-MWLCHTKSSA-N -1 0 342.848 3.636 20 0 EHADRM O=C([O-])c1ccc([N+](=O)[O-])c(OCc2cc(-c3ccccc3)on2)c1 ZINC000392990058 972551773 /nfs/dbraw/zinc/55/17/73/972551773.db2.gz BHSLNVKUTXWQPX-UHFFFAOYSA-N -1 0 340.291 3.527 20 0 EHADRM CSc1ccc(CCC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC001604964787 972553494 /nfs/dbraw/zinc/55/34/94/972553494.db2.gz HLHSUHXXLCBIFM-OAHLLOKOSA-N -1 0 335.469 3.587 20 0 EHADRM O=C([O-])c1cc(C(=O)Nc2ccc(CCCc3ccccc3)cc2)[nH]n1 ZINC001605851780 972597372 /nfs/dbraw/zinc/59/73/72/972597372.db2.gz QXQRAFNUMUTIHD-UHFFFAOYSA-N -1 0 349.390 3.536 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N[C@H]2CCCOc3cc(F)ccc32)c1 ZINC001605857279 972606302 /nfs/dbraw/zinc/60/63/02/972606302.db2.gz HPRYVBYPXRTSDM-HNNXBMFYSA-N -1 0 344.342 3.559 20 0 EHADRM CC1(C)[C@@H](c2ccccc2)CCN1C(=O)Nc1cccnc1C(=O)[O-] ZINC001603314907 972622459 /nfs/dbraw/zinc/62/24/59/972622459.db2.gz XZLFSVVGYQQIEM-CQSZACIVSA-N -1 0 339.395 3.580 20 0 EHADRM CN(c1ccccc1NC(=O)NC1(C(=O)[O-])CCCC1)C1CCCC1 ZINC001604195612 972632355 /nfs/dbraw/zinc/63/23/55/972632355.db2.gz BDJCBSTZBNYASP-UHFFFAOYSA-N -1 0 345.443 3.584 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1ccnc(-c2ccccc2)c1)c1ccccc1 ZINC001605869026 972634900 /nfs/dbraw/zinc/63/49/00/972634900.db2.gz TVGSRPWKHZGUER-SFHVURJKSA-N -1 0 347.374 3.696 20 0 EHADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCc1ccccc1Sc1ccccc1 ZINC001605034346 972643536 /nfs/dbraw/zinc/64/35/36/972643536.db2.gz DRFPMGMJNQCILG-YJYMSZOUSA-N -1 0 341.432 3.565 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)c1cc3occc3s1)CCOC2 ZINC001605878477 972660323 /nfs/dbraw/zinc/66/03/23/972660323.db2.gz FBVDZGUNXQZERI-UHFFFAOYSA-N -1 0 349.389 3.579 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1ccc(C2CCOCC2)cc1 ZINC001605878789 972661482 /nfs/dbraw/zinc/66/14/82/972661482.db2.gz ORDOXMSDAVQJDO-UHFFFAOYSA-N -1 0 331.393 3.593 20 0 EHADRM Cc1c(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cnc2ccccc12 ZINC001605076524 972705684 /nfs/dbraw/zinc/70/56/84/972705684.db2.gz DMSVPAZVQKINCG-QFBILLFUSA-N -1 0 346.386 3.586 20 0 EHADRM C[C@]1(Cc2cccs2)CCCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC001603346972 972753213 /nfs/dbraw/zinc/75/32/13/972753213.db2.gz YAATXAGKEHIKOJ-GOSISDBHSA-N -1 0 329.421 3.684 20 0 EHADRM C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001603354507 972790378 /nfs/dbraw/zinc/79/03/78/972790378.db2.gz JBZUBRBZIWFQBX-GWCFXTLKSA-N -1 0 344.333 3.508 20 0 EHADRM O=C([O-])C1(C(=O)N2CCc3cc(Cl)ccc3C2)CCCCCC1 ZINC001605917469 972802101 /nfs/dbraw/zinc/80/21/01/972802101.db2.gz QMABXBPWJAALIU-UHFFFAOYSA-N -1 0 335.831 3.650 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NC[C@@]2(C)CCCc3ccccc32)c1 ZINC001605138178 972802791 /nfs/dbraw/zinc/80/27/91/972802791.db2.gz HKAYNMWAYFDXMH-OAQYLSRUSA-N -1 0 337.419 3.717 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)cc1 ZINC000460843369 1032080142 /nfs/dbraw/zinc/08/01/42/1032080142.db2.gz VNAXBPKEYQNGAH-UHFFFAOYSA-N -1 0 345.342 3.790 20 0 EHADRM O=C([O-])C1(C(=O)NCc2ccccc2Oc2ccccc2)CC=CC1 ZINC001605930342 972853176 /nfs/dbraw/zinc/85/31/76/972853176.db2.gz WYRMWOBKNVLGMT-UHFFFAOYSA-N -1 0 337.375 3.516 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N(C)Cc2ccc(F)cc2)cc1 ZINC000396351461 972862030 /nfs/dbraw/zinc/86/20/30/972862030.db2.gz FDFJKYCIEAIRKA-LBPRGKRZSA-N -1 0 330.359 3.678 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NCc2ccccc2Cl)cc1 ZINC000396422619 972878754 /nfs/dbraw/zinc/87/87/54/972878754.db2.gz FCRWUPBRURGTOU-LLVKDONJSA-N -1 0 332.787 3.850 20 0 EHADRM CS[C@@H]1CCC[C@@H](NC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)C1 ZINC000396429842 972883097 /nfs/dbraw/zinc/88/30/97/972883097.db2.gz HXBFIMXQIHTFTI-NILFDRSVSA-N -1 0 336.457 3.670 20 0 EHADRM CS[C@@H]1CCC[C@@H](NC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)C1 ZINC000396429841 972883384 /nfs/dbraw/zinc/88/33/84/972883384.db2.gz HXBFIMXQIHTFTI-KCPJHIHWSA-N -1 0 336.457 3.670 20 0 EHADRM C[C@H](Cc1ccsc1)NC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000396449509 972892570 /nfs/dbraw/zinc/89/25/70/972892570.db2.gz RCBXMICBLMAEIE-VXGBXAGGSA-N -1 0 332.425 3.689 20 0 EHADRM COc1ccccc1CN(C)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000396515185 972910914 /nfs/dbraw/zinc/91/09/14/972910914.db2.gz SWLKJQINVOZEGU-CYBMUJFWSA-N -1 0 342.395 3.547 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2CCCc3sccc32)cc1 ZINC000396659298 972932116 /nfs/dbraw/zinc/93/21/16/972932116.db2.gz XPGDYVGDGXBGRL-XHDPSFHLSA-N -1 0 329.421 3.995 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1ccccc1Sc1ccccc1 ZINC000396985255 972957195 /nfs/dbraw/zinc/95/71/95/972957195.db2.gz QYZNQMSLAWTLGJ-UONOGXRCSA-N -1 0 327.405 3.887 20 0 EHADRM Cc1cc(OC(=O)CCCCC(=O)[O-])cc(C)c1Br ZINC001605216523 972960468 /nfs/dbraw/zinc/96/04/68/972960468.db2.gz BCTJRUKIPDKLOG-UHFFFAOYSA-N -1 0 329.190 3.616 20 0 EHADRM Cc1ccc(-c2c[nH]cc2C(=O)NCc2ccc(C(=O)[O-])cc2)s1 ZINC001605232028 972983583 /nfs/dbraw/zinc/98/35/83/972983583.db2.gz UYPMGSYKUZFKPC-UHFFFAOYSA-N -1 0 340.404 3.680 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1cccc(SC(F)F)c1 ZINC001603388116 972987230 /nfs/dbraw/zinc/98/72/30/972987230.db2.gz FMXHYTOEEHEBEH-UWVGGRQHSA-N -1 0 344.383 3.718 20 0 EHADRM C[C@H]1CCC[C@@H](C2CN(C(=O)Nc3cccc(CC(=O)[O-])c3)C2)C1 ZINC001603398101 973040422 /nfs/dbraw/zinc/04/04/22/973040422.db2.gz SPNLFQXUFMQCBF-DZGCQCFKSA-N -1 0 330.428 3.604 20 0 EHADRM Cc1ccc(SCC(=O)NC[C@H](CC(=O)[O-])CC(C)C)c(C)c1 ZINC001605307220 973123529 /nfs/dbraw/zinc/12/35/29/973123529.db2.gz FQRHMUSXKCMOGJ-HNNXBMFYSA-N -1 0 337.485 3.649 20 0 EHADRM Cc1ccc2c(ccc(C)c2C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1 ZINC001605310127 973134806 /nfs/dbraw/zinc/13/48/06/973134806.db2.gz MOUQABCMHCTMBK-GDBMZVCRSA-N -1 0 325.408 3.639 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccccc2COC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC001603425508 973149579 /nfs/dbraw/zinc/14/95/79/973149579.db2.gz QARDLCFGIOOFLY-ZFWWWQNUSA-N -1 0 348.443 3.576 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccccc2COC(C)(C)C)C[C@H]1C(=O)[O-] ZINC001603425507 973149649 /nfs/dbraw/zinc/14/96/49/973149649.db2.gz QARDLCFGIOOFLY-UKRRQHHQSA-N -1 0 348.443 3.576 20 0 EHADRM Cc1cccc([C@H](NC(=O)C[C@@H](C)c2cccc(F)c2)C(=O)[O-])c1 ZINC001605327721 973171317 /nfs/dbraw/zinc/17/13/17/973171317.db2.gz GLBDGPUUQBMKFJ-ACJLOTCBSA-N -1 0 329.371 3.570 20 0 EHADRM Cc1cccc([C@H](NC(=O)[C@H](C)Sc2ccc(F)cc2)C(=O)[O-])c1 ZINC001605328708 973186610 /nfs/dbraw/zinc/18/66/10/973186610.db2.gz PTMOHSWFCQMHMC-LRDDRELGSA-N -1 0 347.411 3.557 20 0 EHADRM CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000538009526 1032081474 /nfs/dbraw/zinc/08/14/74/1032081474.db2.gz WPDVBRDAAWNZSW-UHFFFAOYSA-N -1 0 341.502 3.861 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Oc1ccc(Oc2nccs2)cc1 ZINC001603526965 973570704 /nfs/dbraw/zinc/57/07/04/973570704.db2.gz MUZLIRAWTBCTGA-UHFFFAOYSA-N -1 0 335.381 3.732 20 0 EHADRM CCC(CC)(CNC(=O)NCC1(Cc2ccccc2)CCC1)C(=O)[O-] ZINC001603535125 973586616 /nfs/dbraw/zinc/58/66/16/973586616.db2.gz ACXFVINTLTVMFL-UHFFFAOYSA-N -1 0 346.471 3.590 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cc(-n2cccc2)ccc1F)C(=O)[O-] ZINC001603536918 973592743 /nfs/dbraw/zinc/59/27/43/973592743.db2.gz ZPIJODWEDDQLNF-UHFFFAOYSA-N -1 0 347.390 3.629 20 0 EHADRM O=C([O-])COc1cccc(C(=O)Oc2ccc(C3CCC3)cc2)c1 ZINC001606291509 973695556 /nfs/dbraw/zinc/69/55/56/973695556.db2.gz MRCFSNASOCBFDR-UHFFFAOYSA-N -1 0 326.348 3.637 20 0 EHADRM O=C([O-])COc1cccc(C(=O)O[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC001606291479 973695715 /nfs/dbraw/zinc/69/57/15/973695715.db2.gz KNQBLCUWMHIROB-CKEIUWERSA-N -1 0 332.396 3.666 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)NC[C@H]2CCCCC(F)(F)C2)c1 ZINC001606311371 973724269 /nfs/dbraw/zinc/72/42/69/973724269.db2.gz PZPHLAFFBXVAML-ZDUSSCGKSA-N -1 0 340.370 3.651 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)NC1(C(F)(F)F)CCCCC1 ZINC001606318168 973734149 /nfs/dbraw/zinc/73/41/49/973734149.db2.gz LHVHQRJFCKKZNY-UHFFFAOYSA-N -1 0 344.333 3.700 20 0 EHADRM CC[C@@H](NC(=O)c1cc(C)cc(C(=O)[O-])c1)c1ccccc1OC ZINC001603583030 973747257 /nfs/dbraw/zinc/74/72/57/973747257.db2.gz WFUQIMJYYLMFJE-MRXNPFEDSA-N -1 0 327.380 3.583 20 0 EHADRM O=C([O-])c1cccc(F)c1NC(=O)c1cscc1Br ZINC000404941246 973757298 /nfs/dbraw/zinc/75/72/98/973757298.db2.gz MAZRAORIKPEZJL-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(C)c(Cl)c2F)C1 ZINC001603601753 973858489 /nfs/dbraw/zinc/85/84/89/973858489.db2.gz LTZLELLNFFHKKC-INIZCTEOSA-N -1 0 327.783 3.505 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@@H](C)C(C)(C)c2ccccc2)C1 ZINC001603601926 973861549 /nfs/dbraw/zinc/86/15/49/973861549.db2.gz WEAZLMAHMYLFJK-MGPUTAFESA-N -1 0 346.471 3.639 20 0 EHADRM CC[C@]1(Cc2ccccc2)CCCN1C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC001603617143 973900269 /nfs/dbraw/zinc/90/02/69/973900269.db2.gz PXRJTWDFSBBPHD-FXAWDEMLSA-N -1 0 346.471 3.540 20 0 EHADRM O=C([O-])CC1(CC(=O)N[C@@H]2CCCc3c(F)cccc32)CCCC1 ZINC000414097772 973931550 /nfs/dbraw/zinc/93/15/50/973931550.db2.gz RWIWQVFPFBKGFO-MRXNPFEDSA-N -1 0 333.403 3.745 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cnc(C(C)(C)C)s2)cc1 ZINC000414453516 973940257 /nfs/dbraw/zinc/94/02/57/973940257.db2.gz RAZVMLMKDBFFKE-SNVBAGLBSA-N -1 0 332.425 3.881 20 0 EHADRM CCc1ccc([C@@H]2CCCN(C(=O)NCCCCCC(=O)[O-])C2)cc1 ZINC000414620739 973942114 /nfs/dbraw/zinc/94/21/14/973942114.db2.gz DSLTUSKJLNDUGB-GOSISDBHSA-N -1 0 346.471 3.783 20 0 EHADRM CCSc1ccc([C@@H](C)NC(=O)NCCCCCC(=O)[O-])cc1 ZINC000414614812 973942206 /nfs/dbraw/zinc/94/22/06/973942206.db2.gz OYZWKNOUJKFRBG-CYBMUJFWSA-N -1 0 338.473 3.804 20 0 EHADRM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)NCCCCCC(=O)[O-])C2)cc1 ZINC000414630865 973944188 /nfs/dbraw/zinc/94/41/88/973944188.db2.gz UWVDCKCHIRBUPT-WBVHZDCISA-N -1 0 332.444 3.527 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1ccccc1CCC(F)(F)F ZINC000417771283 973968755 /nfs/dbraw/zinc/96/87/55/973968755.db2.gz WTHIBYQJENNDKW-UHFFFAOYSA-N -1 0 346.349 3.948 20 0 EHADRM O=C([O-])c1cccc(C(=O)OCc2cc(-c3cccc(F)c3)on2)c1 ZINC001606509905 974001798 /nfs/dbraw/zinc/00/17/98/974001798.db2.gz PSLDMLFWPAGIJF-UHFFFAOYSA-N -1 0 341.294 3.536 20 0 EHADRM Cc1nc(-c2ccc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc2)cs1 ZINC000424237440 974020451 /nfs/dbraw/zinc/02/04/51/974020451.db2.gz CVGHJKRFQBJWRC-OAHLLOKOSA-N -1 0 346.452 3.595 20 0 EHADRM Cc1nc(-c2ccccc2NC(=O)NCCC(C)(C)C(=O)[O-])cs1 ZINC000424384504 974023353 /nfs/dbraw/zinc/02/33/53/974023353.db2.gz FJFXABPEWJEROH-UHFFFAOYSA-N -1 0 347.440 3.741 20 0 EHADRM O=C([O-])[C@@H](NCc1nc(-c2ccccc2)cs1)c1ccccc1F ZINC000426768748 974046921 /nfs/dbraw/zinc/04/69/21/974046921.db2.gz BVBBDJITNWQRGO-KRWDZBQOSA-N -1 0 342.395 3.865 20 0 EHADRM O=C([O-])[C@H](NCc1csc(-c2ccccc2)n1)c1cccs1 ZINC000426797583 974047682 /nfs/dbraw/zinc/04/76/82/974047682.db2.gz GFSAFNJPPMRIJS-CQSZACIVSA-N -1 0 330.434 3.787 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1cccc(-c2ccoc2)c1 ZINC000431466184 974066190 /nfs/dbraw/zinc/06/61/90/974066190.db2.gz RZXVZFNBWKVHRV-LJQANCHMSA-N -1 0 347.370 3.771 20 0 EHADRM O=C([O-])C1(CNC(=O)C2(c3ccc(F)cc3)CCCC2)CCCCC1 ZINC000431882961 974077706 /nfs/dbraw/zinc/07/77/06/974077706.db2.gz OAZQSBDGCPRWAL-UHFFFAOYSA-N -1 0 347.430 3.789 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccc(F)cc1F ZINC000431998613 974083013 /nfs/dbraw/zinc/08/30/13/974083013.db2.gz NGZIEAOJIWMFPI-LLVKDONJSA-N -1 0 333.334 3.724 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])cc1 ZINC000432124713 974089806 /nfs/dbraw/zinc/08/98/06/974089806.db2.gz BLSPMPLXGVPONW-ZTQAJYAQSA-N -1 0 331.456 3.892 20 0 EHADRM COc1ccc2cc([C@H](C)OC(=O)[C@@H](C(=O)[O-])C3CC3)ccc2c1 ZINC001604850911 974090709 /nfs/dbraw/zinc/09/07/09/974090709.db2.gz DBHUYBQXPIYGQV-APPDUMDISA-N -1 0 328.364 3.563 20 0 EHADRM Cc1cc2cc(C(=O)N[C@@]3(C)CCCC[C@H]3C(=O)[O-])oc2cc1C ZINC000432139405 974092934 /nfs/dbraw/zinc/09/29/34/974092934.db2.gz KXWQWBWXPBINIJ-LIRRHRJNSA-N -1 0 329.396 3.813 20 0 EHADRM COc1cccc(-c2csc(C[N@@H+]3C[C@@H](C(=O)[O-])CC[C@H]3C)n2)c1 ZINC001604854486 974093541 /nfs/dbraw/zinc/09/35/41/974093541.db2.gz BMIRHILKDOKPSB-OCCSQVGLSA-N -1 0 346.452 3.504 20 0 EHADRM COc1ccc2oc(CN[C@H](C(=O)[O-])c3cccc(C)c3)cc2c1 ZINC001604854844 974094480 /nfs/dbraw/zinc/09/44/80/974094480.db2.gz JAFFYTBNASUWSN-SFHVURJKSA-N -1 0 325.364 3.665 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)CCc1cccc(OC(F)F)c1 ZINC001605687115 974100847 /nfs/dbraw/zinc/10/08/47/974100847.db2.gz CIIOQXUSPMFCHZ-UHFFFAOYSA-N -1 0 341.335 3.619 20 0 EHADRM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000439790219 974110229 /nfs/dbraw/zinc/11/02/29/974110229.db2.gz HNWYWXJTUAYQSC-DYVFJYSZSA-N -1 0 327.380 3.900 20 0 EHADRM C[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])c1cccc(OC(F)(F)F)c1 ZINC000440500127 974116773 /nfs/dbraw/zinc/11/67/73/974116773.db2.gz AKSDYKQLZVVBLD-SNVBAGLBSA-N -1 0 347.333 3.653 20 0 EHADRM Cc1cc(C(=O)N[C@@](C)(CC(=O)[O-])c2cccc(F)c2)sc1C ZINC000448994146 974133218 /nfs/dbraw/zinc/13/32/18/974133218.db2.gz NZUXCUXYTVZWTL-KRWDZBQOSA-N -1 0 335.400 3.624 20 0 EHADRM CCCCS[C@H](C)C(=O)N[C@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC000448993726 974133371 /nfs/dbraw/zinc/13/33/71/974133371.db2.gz NMIAKDZLBDTVQD-SJKOYZFVSA-N -1 0 341.448 3.554 20 0 EHADRM CC[C@@H](C(=O)N[C@@](C)(CC(=O)[O-])c1cccc(F)c1)c1ccccc1 ZINC000448995668 974134567 /nfs/dbraw/zinc/13/45/67/974134567.db2.gz FAMKKXFFDHHLNS-XLIONFOSSA-N -1 0 343.398 3.826 20 0 EHADRM CC(C)c1ccsc1C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000449001023 974139467 /nfs/dbraw/zinc/13/94/67/974139467.db2.gz ZCGQVHSIBWFXFJ-CQSZACIVSA-N -1 0 335.400 3.609 20 0 EHADRM CCN(C(=O)Nc1ccc(SC(F)(F)F)cc1)[C@H](C)C(=O)[O-] ZINC001603715878 974141069 /nfs/dbraw/zinc/14/10/69/974141069.db2.gz MBWZCQNABKJNKU-MRVPVSSYSA-N -1 0 336.335 3.625 20 0 EHADRM C[C@H](Oc1ccc(C(=O)N(C)CCCC(=O)[O-])cc1)c1ccccc1 ZINC000455757953 974151743 /nfs/dbraw/zinc/15/17/43/974151743.db2.gz RHEHYLLHWKEIJC-HNNXBMFYSA-N -1 0 341.407 3.763 20 0 EHADRM Cc1c(Cl)cccc1C(=O)N[C@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000455939505 974174706 /nfs/dbraw/zinc/17/47/06/974174706.db2.gz ZCRMZDVFUXBOHW-CJNGLKHVSA-N -1 0 345.826 3.710 20 0 EHADRM CCN(CC)c1ccc(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001603739503 974185612 /nfs/dbraw/zinc/18/56/12/974185612.db2.gz SDXCLCZMWZXEKX-MRXNPFEDSA-N -1 0 334.460 3.542 20 0 EHADRM CC(C)COC(=O)Nc1cccc(NC2CCC(C(=O)[O-])CC2)c1 ZINC000496966831 974263685 /nfs/dbraw/zinc/26/36/85/974263685.db2.gz FEFNQTNHNVXPJZ-UHFFFAOYSA-N -1 0 334.416 3.946 20 0 EHADRM Cc1ccccc1[C@@H](C(=O)[O-])N1CCO[C@@H](c2ccccc2C)C1 ZINC000515855544 974302573 /nfs/dbraw/zinc/30/25/73/974302573.db2.gz HOEJHRVJXGYIQA-MOPGFXCFSA-N -1 0 325.408 3.503 20 0 EHADRM O=C([O-])[C@H](c1cccnc1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000520416644 974338165 /nfs/dbraw/zinc/33/81/65/974338165.db2.gz NNEULQRIOXGVJT-HNNXBMFYSA-N -1 0 337.206 3.572 20 0 EHADRM CCOc1ccc(NC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)cc1OCC ZINC001603869026 974370053 /nfs/dbraw/zinc/37/00/53/974370053.db2.gz FSDRQMKELVVCQD-UHFFFAOYSA-N -1 0 349.427 3.560 20 0 EHADRM CN(Cc1ccc2ccccc2c1)C(=O)c1ccc(C(=O)[O-])s1 ZINC000532005525 974371328 /nfs/dbraw/zinc/37/13/28/974371328.db2.gz HEMRMCRWRHPNGP-UHFFFAOYSA-N -1 0 325.389 3.872 20 0 EHADRM CN(Cc1csc2ccccc12)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000538573627 974391157 /nfs/dbraw/zinc/39/11/57/974391157.db2.gz GCWHAQUMAQFMTD-UHFFFAOYSA-N -1 0 339.416 3.801 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000539603345 974396844 /nfs/dbraw/zinc/39/68/44/974396844.db2.gz ARCUFVPXSCRJJB-UHFFFAOYSA-N -1 0 343.210 3.850 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc2c(c1)CCC2 ZINC000539608109 974397102 /nfs/dbraw/zinc/39/71/02/974397102.db2.gz QVHWMTKIBZBGKG-CYBMUJFWSA-N -1 0 339.391 3.588 20 0 EHADRM CCn1cc(C(=O)NCC2(CC(=O)[O-])CCCCC2)c2ccccc21 ZINC000539676678 974399416 /nfs/dbraw/zinc/39/94/16/974399416.db2.gz HEDIUYIZVNVMQV-UHFFFAOYSA-N -1 0 342.439 3.816 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1cccc(OCC(=O)[O-])c1)c1cccs1 ZINC000540672782 974404343 /nfs/dbraw/zinc/40/43/43/974404343.db2.gz KRNFVJDBVJAWOI-OAHLLOKOSA-N -1 0 347.436 3.729 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@H](c2ccccc2)C(C)C)cc1C ZINC000107960987 1014191323 /nfs/dbraw/zinc/19/13/23/1014191323.db2.gz VZQKPSMVWZULDQ-GBXCKJPGSA-N -1 0 343.492 3.925 20 0 EHADRM CC[C@@H]1CC[C@H](C)N(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)C1 ZINC001603918775 974414936 /nfs/dbraw/zinc/41/49/36/974414936.db2.gz MNNYKSZGIRZYDR-UWWPHRKUSA-N -1 0 330.428 3.520 20 0 EHADRM Cc1nn(C(F)F)c(C)c1CC(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000274528493 1014193626 /nfs/dbraw/zinc/19/36/26/1014193626.db2.gz CPYDJSMDRZXDRU-UHFFFAOYSA-N -1 0 347.724 3.574 20 0 EHADRM CCc1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1CC ZINC001603969800 974459487 /nfs/dbraw/zinc/45/94/87/974459487.db2.gz YOIQTMBIYWJWBH-HXUWFJFHSA-N -1 0 325.408 3.541 20 0 EHADRM C[C@H](NC(=O)Cc1cccc(C(=O)[O-])c1)c1cccc2ccccc21 ZINC000554279884 974482572 /nfs/dbraw/zinc/48/25/72/974482572.db2.gz XZYFIAVRVDDBMI-AWEZNQCLSA-N -1 0 333.387 3.958 20 0 EHADRM CCc1noc(C)c1C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001603994010 974497258 /nfs/dbraw/zinc/49/72/58/974497258.db2.gz IXDHRMMTJMQGAK-MRVPVSSYSA-N -1 0 348.424 3.682 20 0 EHADRM CC(C)CO[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000562920483 974509419 /nfs/dbraw/zinc/50/94/19/974509419.db2.gz MWCUEMZHDJNBER-KBXCAEBGSA-N -1 0 343.423 3.533 20 0 EHADRM CCn1cc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c2ccccc21 ZINC001604007184 974513535 /nfs/dbraw/zinc/51/35/35/974513535.db2.gz XOQUVSFKRRMYHM-HNNXBMFYSA-N -1 0 330.428 3.671 20 0 EHADRM CN(Cc1ccc(Br)s1)[C@H](C(=O)[O-])c1ccsc1 ZINC000563280234 974526062 /nfs/dbraw/zinc/52/60/62/974526062.db2.gz MPLPECIILLKQAA-NSHDSACASA-N -1 0 346.271 3.830 20 0 EHADRM C[C@H](CN(Cc1cc(C(C)(C)C)on1)Cc1ccccc1)C(=O)[O-] ZINC000563281984 974526273 /nfs/dbraw/zinc/52/62/73/974526273.db2.gz HEWCHFVVSUGIGR-CQSZACIVSA-N -1 0 330.428 3.695 20 0 EHADRM C[C@@H](NC(=O)c1cccc(C2CC2)c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000563425005 974530837 /nfs/dbraw/zinc/53/08/37/974530837.db2.gz UQAFHBGKOCLDCZ-KUHUBIRLSA-N -1 0 337.419 3.626 20 0 EHADRM Cc1cc(F)cc(C)c1C(=O)N[C@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000563449852 974532423 /nfs/dbraw/zinc/53/24/23/974532423.db2.gz JEXFACTURIYSDV-RHSMWYFYSA-N -1 0 343.398 3.504 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1csc(CCc2ccccc2)n1)C1CCC1 ZINC000563730691 974538147 /nfs/dbraw/zinc/53/81/47/974538147.db2.gz IKMVLPFZMNNDQN-AWEZNQCLSA-N -1 0 344.480 3.756 20 0 EHADRM CCCCN(C(=O)c1cnc(C(=O)[O-])cn1)[C@@H](CC)c1ccccc1 ZINC000564964676 974560046 /nfs/dbraw/zinc/56/00/46/974560046.db2.gz CNLNNVZYUBLWEO-KRWDZBQOSA-N -1 0 341.411 3.568 20 0 EHADRM CC[C@H]1CN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)CCS1 ZINC000565104614 974570781 /nfs/dbraw/zinc/57/07/81/974570781.db2.gz OOMIUQRLPSFDKW-HNNXBMFYSA-N -1 0 348.493 3.836 20 0 EHADRM O=C([O-])c1cccc(Cl)c1CN1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000565599755 974585031 /nfs/dbraw/zinc/58/50/31/974585031.db2.gz ARXQBMILQXRKSU-QGZVFWFLSA-N -1 0 349.789 3.751 20 0 EHADRM COc1ccc(C2(CNC(=O)C[C@H](C)CC(=O)[O-])CCCCC2)cc1 ZINC000565726587 974587698 /nfs/dbraw/zinc/58/76/98/974587698.db2.gz VEBGLIICTMZBJQ-HNNXBMFYSA-N -1 0 347.455 3.514 20 0 EHADRM Cc1cc([C@@H]2CN([C@H](C)c3ccc(C(=O)[O-])o3)CCO2)ccc1F ZINC000566361572 974609807 /nfs/dbraw/zinc/60/98/07/974609807.db2.gz KRIIAJNHKXCNEI-PXAZEXFGSA-N -1 0 333.359 3.560 20 0 EHADRM O=C([O-])[C@H](c1ccccc1F)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000566363547 974610394 /nfs/dbraw/zinc/61/03/94/974610394.db2.gz OGGCSAKGCRCFAP-IRXDYDNUSA-N -1 0 349.789 3.678 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCCc1ccc(F)cc1)c1ccc(F)cc1 ZINC000566926513 974624574 /nfs/dbraw/zinc/62/45/74/974624574.db2.gz MRYIHWMQTMQSSR-QGZVFWFLSA-N -1 0 347.361 3.620 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1c1nc(-c2cccs2)nc2ccccc21 ZINC000569609379 974695380 /nfs/dbraw/zinc/69/53/80/974695380.db2.gz YUQHGVPDMPFECP-NEPJUHHUSA-N -1 0 339.420 3.658 20 0 EHADRM Cc1cc([C@H]2CN(Cc3ccc(F)cc3C(=O)[O-])CCO2)ccc1F ZINC000570220033 974707076 /nfs/dbraw/zinc/70/70/76/974707076.db2.gz QNVAWZYPWFLDBS-GOSISDBHSA-N -1 0 347.361 3.545 20 0 EHADRM CCc1ccc([C@@H]2COCCN2Cc2cccc(C(=O)[O-])c2Cl)o1 ZINC000571453481 974729389 /nfs/dbraw/zinc/72/93/89/974729389.db2.gz TWPYSVVTXSHYTC-HNNXBMFYSA-N -1 0 349.814 3.767 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000571700953 974734129 /nfs/dbraw/zinc/73/41/29/974734129.db2.gz DOIRGYVKMDSXFB-CYBMUJFWSA-N -1 0 339.391 3.728 20 0 EHADRM O=C([O-])c1cnc(N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)nc1 ZINC000575320510 974798389 /nfs/dbraw/zinc/79/83/89/974798389.db2.gz WZAPBSBXWFDHEU-MJHDQNEOSA-N -1 0 337.301 3.552 20 0 EHADRM O=C([O-])[C@H](c1c(F)cccc1Cl)N1CCO[C@H](c2ccccc2)C1 ZINC000576046183 974806857 /nfs/dbraw/zinc/80/68/57/974806857.db2.gz BXOFAQLMOHCWSG-RDJZCZTQSA-N -1 0 349.789 3.678 20 0 EHADRM COC[C@H](Cc1ccccc1)[N@H+](C)Cc1cc(C(=O)[O-])ccc1Cl ZINC000578329465 974852803 /nfs/dbraw/zinc/85/28/03/974852803.db2.gz FAMFPHAXTQUSJU-KRWDZBQOSA-N -1 0 347.842 3.728 20 0 EHADRM C[C@@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000578756515 974861289 /nfs/dbraw/zinc/86/12/89/974861289.db2.gz WXEZQWOIXVJPQN-APPDUMDISA-N -1 0 337.370 3.679 20 0 EHADRM O=C([O-])c1ccc([C@@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C(F)(F)F)cc1 ZINC000579966651 974886306 /nfs/dbraw/zinc/88/63/06/974886306.db2.gz PGQYDNFJZBONNF-BFHYXJOUSA-N -1 0 341.329 3.541 20 0 EHADRM Cc1ccc(Nc2ccccc2C(=O)N(C)CCCC(=O)[O-])cc1 ZINC000581029687 974904476 /nfs/dbraw/zinc/90/44/76/974904476.db2.gz MRHPZBKWXKEPED-UHFFFAOYSA-N -1 0 326.396 3.675 20 0 EHADRM O=C([O-])c1csc(NC(=O)C2(c3c(F)cccc3F)CCC2)c1 ZINC000582354342 974924115 /nfs/dbraw/zinc/92/41/15/974924115.db2.gz VDCXWJKABGLRQW-UHFFFAOYSA-N -1 0 337.347 3.785 20 0 EHADRM C[C@](Cc1ccccc1)(NC(=O)c1ccc(C(=O)[O-])s1)C1CC1 ZINC000582432404 974926895 /nfs/dbraw/zinc/92/68/95/974926895.db2.gz YIRIEOWJHNLXLT-GOSISDBHSA-N -1 0 329.421 3.588 20 0 EHADRM CC[C@H]1CN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CCS1 ZINC000583147978 974937213 /nfs/dbraw/zinc/93/72/13/974937213.db2.gz VFGQYCOPWUKKFT-STQMWFEESA-N -1 0 334.268 3.947 20 0 EHADRM Cc1cc([C@@H](C)N2CCO[C@](C)(c3ccccc3)C2)oc1C(=O)[O-] ZINC000583636239 974943858 /nfs/dbraw/zinc/94/38/58/974943858.db2.gz OIDFDXLKIGPKDZ-KUHUBIRLSA-N -1 0 329.396 3.595 20 0 EHADRM C/C(=C/c1ccccc1Cl)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000588593253 974965925 /nfs/dbraw/zinc/96/59/25/974965925.db2.gz ZTDGNEYSSNRCEO-YBEMTRGBSA-N -1 0 335.831 3.847 20 0 EHADRM C[C@](CNC(=O)/C=C\c1ccc(Cl)s1)(C(=O)[O-])c1ccccc1 ZINC000588617229 974966533 /nfs/dbraw/zinc/96/65/33/974966533.db2.gz LBKMWJVNVPAWTP-SECOEOQKSA-N -1 0 349.839 3.573 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)nn1C(C)(C)C ZINC000614631094 975021595 /nfs/dbraw/zinc/02/15/95/975021595.db2.gz IBFPGJHMXHSSGD-UHFFFAOYSA-N -1 0 335.791 3.550 20 0 EHADRM CCCC[C@H](C(=O)N[C@H](C)c1ccc(OCC(=O)[O-])cc1)C(C)C ZINC000621537972 975028705 /nfs/dbraw/zinc/02/87/05/975028705.db2.gz BYDAIEQMWWVIOQ-PBHICJAKSA-N -1 0 335.444 3.790 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2CCCC3(CC3)C2)c(OC(F)F)c1 ZINC000621565292 975032405 /nfs/dbraw/zinc/03/24/05/975032405.db2.gz NEUBRTFHGIVZHM-NSHDSACASA-N -1 0 339.338 3.895 20 0 EHADRM Cc1c(C(=O)N2CCCCC[C@H]2C(=O)[O-])cccc1-c1ccccn1 ZINC000621569926 975036050 /nfs/dbraw/zinc/03/60/50/975036050.db2.gz NNJUJLBCJIZLJQ-SFHVURJKSA-N -1 0 338.407 3.526 20 0 EHADRM Cc1cc(C(=O)CCC(=O)Nc2cccc(C(=O)[O-])c2C)c(C)s1 ZINC000621575434 975036896 /nfs/dbraw/zinc/03/68/96/975036896.db2.gz NOJYGVCDUATNEU-UHFFFAOYSA-N -1 0 345.420 3.973 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)[C@H]1CCc2ccccc2C1 ZINC000621588608 975046032 /nfs/dbraw/zinc/04/60/32/975046032.db2.gz AHRTZPPVUWDGSV-UFYCRDLUSA-N -1 0 349.430 3.608 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC000621589348 975047473 /nfs/dbraw/zinc/04/74/73/975047473.db2.gz TYAXZPLAGDSSFG-OWSLCNJRSA-N -1 0 327.424 3.630 20 0 EHADRM CCc1ccc(C(C)(C)C(=O)N[C@@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC000621611722 975060926 /nfs/dbraw/zinc/06/09/26/975060926.db2.gz JZQJNPHMVQLBKX-NSHDSACASA-N -1 0 346.452 3.559 20 0 EHADRM CCCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(OC)cc2)s1 ZINC000630098081 975100046 /nfs/dbraw/zinc/10/00/46/975100046.db2.gz OUVOAHAPFSIOLL-OAHLLOKOSA-N -1 0 347.436 3.655 20 0 EHADRM Cc1cc(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)oc1C(=O)[O-] ZINC000630102962 975101976 /nfs/dbraw/zinc/10/19/76/975101976.db2.gz LTOWBQSXYMQSNV-VIFPVBQESA-N -1 0 341.285 3.796 20 0 EHADRM CCCCOc1ccc(NC(=O)c2cncc(C(=O)[O-])c2)c(C)c1 ZINC000630111139 975105392 /nfs/dbraw/zinc/10/53/92/975105392.db2.gz KANKKVVJSOXHSP-UHFFFAOYSA-N -1 0 328.368 3.519 20 0 EHADRM Cc1cc(C(=O)N2CC[C@H](CSc3ccccc3)C2)oc1C(=O)[O-] ZINC000630124452 975111688 /nfs/dbraw/zinc/11/16/88/975111688.db2.gz VZQXSCDISWETKQ-ZDUSSCGKSA-N -1 0 345.420 3.541 20 0 EHADRM C[C@H](CC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1)c1ccco1 ZINC000630142840 975126515 /nfs/dbraw/zinc/12/65/15/975126515.db2.gz CPYXELBMOSMFMV-GFCCVEGCSA-N -1 0 335.787 3.540 20 0 EHADRM COc1ccc2cc(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)sc2c1 ZINC000630161450 975136749 /nfs/dbraw/zinc/13/67/49/975136749.db2.gz ZVEOSPSIGXYYJS-LBPRGKRZSA-N -1 0 347.436 3.627 20 0 EHADRM Cc1cc(C(=O)N2C[C@@H](C)C[C@@H]2c2cccc(F)c2)oc1C(=O)[O-] ZINC000630169729 975141006 /nfs/dbraw/zinc/14/10/06/975141006.db2.gz FKLGOXAMXPGTGO-IINYFYTJSA-N -1 0 331.343 3.649 20 0 EHADRM Cc1cc(C(=O)N2C[C@H](C)C[C@@H]2c2cccc(F)c2)oc1C(=O)[O-] ZINC000630169730 975141153 /nfs/dbraw/zinc/14/11/53/975141153.db2.gz FKLGOXAMXPGTGO-QMTHXVAHSA-N -1 0 331.343 3.649 20 0 EHADRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)c1ccc(C(F)F)o1 ZINC000630218282 975164175 /nfs/dbraw/zinc/16/41/75/975164175.db2.gz XVJWSZIAJWNRRB-NWDGAFQWSA-N -1 0 341.354 3.713 20 0 EHADRM C[C@@H](Oc1ccc(NC(=O)CCCC(C)(C)C)cc1F)C(=O)[O-] ZINC000630258122 975200845 /nfs/dbraw/zinc/20/08/45/975200845.db2.gz JZTVARBZNKFXJO-LLVKDONJSA-N -1 0 325.380 3.833 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000630278214 975222273 /nfs/dbraw/zinc/22/22/73/975222273.db2.gz GEEUYEXIAWJSQT-YDHLFZDLSA-N -1 0 345.370 3.596 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(C(=O)[O-])c2ccccc12)C1CCOCC1 ZINC000630285613 975230222 /nfs/dbraw/zinc/23/02/22/975230222.db2.gz BLTHLILOZQXBKS-GFCCVEGCSA-N -1 0 327.380 3.539 20 0 EHADRM Cc1cc(C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)oc1C(=O)[O-] ZINC000630292026 975233615 /nfs/dbraw/zinc/23/36/15/975233615.db2.gz UDLLLJAFGOUZQE-LBPRGKRZSA-N -1 0 333.771 3.569 20 0 EHADRM CC(C)c1ccc(CN(C)C(=O)c2cccc(CC(=O)[O-])c2)cc1 ZINC000630291756 975233628 /nfs/dbraw/zinc/23/36/28/975233628.db2.gz YUMYCHZOVWPTQK-UHFFFAOYSA-N -1 0 325.408 3.709 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(C(=O)[O-])s1 ZINC000630295108 975234897 /nfs/dbraw/zinc/23/48/97/975234897.db2.gz PVELGVCVJVECJH-YRGRVCCFSA-N -1 0 329.421 3.853 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)C2(Cc3ccccc3)CC2)cc1 ZINC000630328197 975255499 /nfs/dbraw/zinc/25/54/99/975255499.db2.gz KVSFPYIJLQKQSI-ZWKOTPCHSA-N -1 0 335.403 3.836 20 0 EHADRM C[C@H](C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)c1ccccc1F ZINC000630327971 975255759 /nfs/dbraw/zinc/25/57/59/975255759.db2.gz BZIVVRQGZJTWTQ-KNXALSJPSA-N -1 0 327.355 3.756 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H]2Cc3ccc(Cl)cc32)cc1 ZINC000630328420 975256098 /nfs/dbraw/zinc/25/60/98/975256098.db2.gz AIZJQGHZSKZPLX-GVDBMIGSSA-N -1 0 341.794 3.807 20 0 EHADRM Cc1cc(CNC(=O)C2(c3ccccc3Cl)CCC2)oc1C(=O)[O-] ZINC000630329476 975257499 /nfs/dbraw/zinc/25/74/99/975257499.db2.gz DPRJIYASDOOSKX-UHFFFAOYSA-N -1 0 347.798 3.678 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cc2F)CC[C@H]1C(=O)[O-] ZINC000630568198 975268337 /nfs/dbraw/zinc/26/83/37/975268337.db2.gz NXBVFTCVDCBXSW-JGVFFNPUSA-N -1 0 349.189 3.707 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1CCCc2ccccc21)c1cccs1 ZINC000642146483 975288968 /nfs/dbraw/zinc/28/89/68/975288968.db2.gz KMVKQBBKMSYDES-GJZGRUSLSA-N -1 0 329.421 3.500 20 0 EHADRM Cc1c(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)cccc1C(=O)[O-] ZINC000642148637 975290183 /nfs/dbraw/zinc/29/01/83/975290183.db2.gz KEOZCNURZWQTMS-GFCCVEGCSA-N -1 0 345.782 3.536 20 0 EHADRM Cc1nn(C(C)(C)C)cc1[C@H](C)Nc1ncc(C(=O)[O-])cc1Cl ZINC000647453146 975363957 /nfs/dbraw/zinc/36/39/57/975363957.db2.gz YDXQQTYFMPRMGY-VIFPVBQESA-N -1 0 336.823 3.866 20 0 EHADRM CCCc1ccc(CCCC(=O)N2CCC(CC(=O)[O-])CC2)cc1 ZINC000649240184 975383946 /nfs/dbraw/zinc/38/39/46/975383946.db2.gz OAMVGRPJKRYEDX-UHFFFAOYSA-N -1 0 331.456 3.675 20 0 EHADRM O=C([O-])c1cccc2c1CN(C(=O)C[C@H]1CCCc3ccccc31)CC2 ZINC000649258127 975398844 /nfs/dbraw/zinc/39/88/44/975398844.db2.gz ITPBKAYNKDVCGU-QGZVFWFLSA-N -1 0 349.430 3.780 20 0 EHADRM CC[C@H](CNC(=O)c1ccccc1SCc1cccs1)C(=O)[O-] ZINC000649260978 975404248 /nfs/dbraw/zinc/40/42/48/975404248.db2.gz YQEHOWVTQKKYPV-GFCCVEGCSA-N -1 0 349.477 3.881 20 0 EHADRM CC(C)O[C@H](C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC001591686776 975499104 /nfs/dbraw/zinc/49/91/04/975499104.db2.gz RXCRTOIZYXQILE-KDOFPFPSSA-N -1 0 341.407 3.980 20 0 EHADRM Cc1oc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1C(=O)[O-] ZINC000652386639 975518903 /nfs/dbraw/zinc/51/89/03/975518903.db2.gz AIEAARXXNIIVIN-CYBMUJFWSA-N -1 0 340.379 3.807 20 0 EHADRM O=C([O-])CN(Cc1csc(Cc2ccccc2)n1)C1CCCCC1 ZINC000652482828 975552594 /nfs/dbraw/zinc/55/25/94/975552594.db2.gz XAEZYDNBSDBVGU-UHFFFAOYSA-N -1 0 344.480 3.953 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N(C)[C@H](C)c2ccccc2)c(C)c1 ZINC000107971871 1014267778 /nfs/dbraw/zinc/26/77/78/1014267778.db2.gz XSIZZSRMWNROFK-WAIKUNEKSA-N -1 0 329.465 3.631 20 0 EHADRM Cc1ccccc1C1(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)CCC1 ZINC000653327959 975590047 /nfs/dbraw/zinc/59/00/47/975590047.db2.gz BTAUZJYFZIKLPJ-MJGOQNOKSA-N -1 0 349.430 3.846 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N[C@@H](c2ccccc2)C2CCCC2)c1 ZINC000653638989 975604234 /nfs/dbraw/zinc/60/42/34/975604234.db2.gz LTECOYYSSARENA-FQEVSTJZSA-N -1 0 337.419 3.975 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC000653639399 975604671 /nfs/dbraw/zinc/60/46/71/975604671.db2.gz PPLCDMNOQLAAJH-UHFFFAOYSA-N -1 0 341.407 3.991 20 0 EHADRM CC[C@H](c1nnc(NC(=O)CCCCC(=O)[O-])s1)c1ccccc1 ZINC000656231752 975647077 /nfs/dbraw/zinc/64/70/77/975647077.db2.gz OAQWRDWWGKHZEJ-ZDUSSCGKSA-N -1 0 347.440 3.664 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)NCc1cccc(Oc2ccccc2)c1 ZINC000656232969 975647225 /nfs/dbraw/zinc/64/72/25/975647225.db2.gz AFSKKXNCYPJVFB-AWEZNQCLSA-N -1 0 327.380 3.596 20 0 EHADRM CC[C@@H](c1nnc(NC(=O)CCCCC(=O)[O-])s1)c1ccccc1 ZINC000656231750 975647486 /nfs/dbraw/zinc/64/74/86/975647486.db2.gz OAQWRDWWGKHZEJ-CYBMUJFWSA-N -1 0 347.440 3.664 20 0 EHADRM CC(C)OCC(C)(C)NC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001591720268 975650663 /nfs/dbraw/zinc/65/06/63/975650663.db2.gz JATQSOSKKUOSNY-UHFFFAOYSA-N -1 0 344.411 3.863 20 0 EHADRM O=C([O-])CC1(NC(=O)CCCc2c(F)cccc2F)CCCCC1 ZINC000656234628 975650748 /nfs/dbraw/zinc/65/07/48/975650748.db2.gz MDJUBHDLFDCCQO-UHFFFAOYSA-N -1 0 339.382 3.581 20 0 EHADRM CC(C)OCc1ccc(C(=O)OCc2cccc(C(=O)[O-])c2)cc1 ZINC001591730811 975700221 /nfs/dbraw/zinc/70/02/21/975700221.db2.gz DQKMRDJTRKJQFN-UHFFFAOYSA-N -1 0 328.364 3.667 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000659118030 975713526 /nfs/dbraw/zinc/71/35/26/975713526.db2.gz CNUAMEFHQQASEF-UHFFFAOYSA-N -1 0 341.285 3.577 20 0 EHADRM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2cc(C(=O)[O-])oc2C)o1 ZINC000659122254 975721930 /nfs/dbraw/zinc/72/19/30/975721930.db2.gz CQBIHLWZKYHIQC-QMTHXVAHSA-N -1 0 331.368 3.801 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC000659123454 975722971 /nfs/dbraw/zinc/72/29/71/975722971.db2.gz QVHCCAZNJQCBER-YOEHRIQHSA-N -1 0 339.391 3.834 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C1CCC2(CC2)CC1)c1ccc(Cl)cc1 ZINC000659138750 975739422 /nfs/dbraw/zinc/73/94/22/975739422.db2.gz MAMWSEQHOAHFNA-HNNXBMFYSA-N -1 0 335.831 3.942 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)[C@H]2CCCC3(CC3)C2)cc1Cl ZINC000659140167 975740405 /nfs/dbraw/zinc/74/04/05/975740405.db2.gz ZGJQVDULXLZNKZ-NSHDSACASA-N -1 0 337.803 3.712 20 0 EHADRM O=C([O-])CC1(CNC(=O)C[C@]23CCCC[C@H]2C3(F)F)CCCCC1 ZINC000659143555 975743321 /nfs/dbraw/zinc/74/33/21/975743321.db2.gz WMNAQPNYTFXCEO-CXAGYDPISA-N -1 0 343.414 3.743 20 0 EHADRM COc1cccc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1C ZINC000659148371 975749560 /nfs/dbraw/zinc/74/95/60/975749560.db2.gz YLSOIQAVOLYMQP-GFCCVEGCSA-N -1 0 327.380 3.519 20 0 EHADRM O=C([O-])C1(C(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)CC2(CCC2)C1 ZINC000659154132 975754362 /nfs/dbraw/zinc/75/43/62/975754362.db2.gz LWWMXINOYHQKGM-ZBFHGGJFSA-N -1 0 345.414 3.613 20 0 EHADRM CC(C)Oc1c(NC(=O)N([C@H](C)C2CC2)C2CC2)cccc1C(=O)[O-] ZINC001591741519 975755883 /nfs/dbraw/zinc/75/58/83/975755883.db2.gz KHGYWKQNMJIMFP-GFCCVEGCSA-N -1 0 346.427 3.967 20 0 EHADRM CC(C)Oc1c(NC(=O)N(CC2CC2)C2CCC2)cccc1C(=O)[O-] ZINC001591742200 975760311 /nfs/dbraw/zinc/76/03/11/975760311.db2.gz WIIRMNBJBKBSQX-UHFFFAOYSA-N -1 0 346.427 3.968 20 0 EHADRM C[C@@H](C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21)c1cccs1 ZINC000659182312 975776681 /nfs/dbraw/zinc/77/66/81/975776681.db2.gz LJPVMCBYZRJRGI-DOMZBBRYSA-N -1 0 343.448 3.786 20 0 EHADRM CC(C)Oc1c(NC(=O)NCCCc2ccco2)cccc1C(=O)[O-] ZINC001591746196 975779789 /nfs/dbraw/zinc/77/97/89/975779789.db2.gz ALQWNPYGQRVAJL-UHFFFAOYSA-N -1 0 346.383 3.519 20 0 EHADRM C[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21)c1ccc(Cl)cc1 ZINC000659193604 975793110 /nfs/dbraw/zinc/79/31/10/975793110.db2.gz PYWOLPMZLZEXAY-STECZYCISA-N -1 0 349.858 3.935 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3o2)[C@@H]2CCCC[C@H]12 ZINC000659194418 975794897 /nfs/dbraw/zinc/79/48/97/975794897.db2.gz LHEYRUIBKGOMFY-RBSFLKMASA-N -1 0 345.370 3.677 20 0 EHADRM CC(C)Oc1c(NC(=O)NCC[C@@H]2C[C@H]2C2CC2)cccc1C(=O)[O-] ZINC001591747697 975797227 /nfs/dbraw/zinc/79/72/27/975797227.db2.gz WUPLRUJRBUXWMV-HIFRSBDPSA-N -1 0 346.427 3.730 20 0 EHADRM O=C([O-])C[C@@H](CNC(=O)C1CCC(c2ccccc2)CC1)C1CC1 ZINC000659209627 975819879 /nfs/dbraw/zinc/81/98/79/975819879.db2.gz KCFAYWCCQMQWSG-VJFUWPCTSA-N -1 0 329.440 3.578 20 0 EHADRM CC(C)[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000659223042 975834635 /nfs/dbraw/zinc/83/46/35/975834635.db2.gz AMUBFTSOVVUPOX-KRWDZBQOSA-N -1 0 329.371 3.580 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N1CCCC[C@@H]1CC1CCC1 ZINC000659233490 975842074 /nfs/dbraw/zinc/84/20/74/975842074.db2.gz XSQNTQFVGFMNJN-QGZVFWFLSA-N -1 0 329.440 3.889 20 0 EHADRM CC(C)C[C@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)c1cccs1 ZINC000659752414 975857723 /nfs/dbraw/zinc/85/77/23/975857723.db2.gz GCVXUMYBEXGBMR-HNNXBMFYSA-N -1 0 347.436 3.729 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)/C=C\c1cccc(O)c1 ZINC001591762412 975859201 /nfs/dbraw/zinc/85/92/01/975859201.db2.gz WCPCSYJNWAJJFH-TWGQIWQCSA-N -1 0 341.363 3.530 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(c2nc(C(F)F)nc3ccccc32)C1 ZINC000662888268 975911048 /nfs/dbraw/zinc/91/10/48/975911048.db2.gz ZLEAFBHVLMOMAJ-NSHDSACASA-N -1 0 335.354 3.649 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NCc1cnc2ccccc2n1 ZINC001591773284 975912593 /nfs/dbraw/zinc/91/25/93/975912593.db2.gz XDBQXXHRNJSQSJ-UHFFFAOYSA-N -1 0 337.379 3.727 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)c2ccccc21 ZINC000663121319 975926177 /nfs/dbraw/zinc/92/61/77/975926177.db2.gz XZCNLVJUXMIGMU-WKULXVSPSA-N -1 0 327.424 3.632 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@@H](C)Cc2ccco2)c(C(=O)[O-])c1 ZINC001591781144 975951275 /nfs/dbraw/zinc/95/12/75/975951275.db2.gz UERFFLSCHTUQKP-LBPRGKRZSA-N -1 0 331.368 3.582 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)c(C(=O)[O-])c1 ZINC001591787824 975964912 /nfs/dbraw/zinc/96/49/12/975964912.db2.gz DEEIKCNBWRDERZ-AEGPPILISA-N -1 0 331.412 3.937 20 0 EHADRM CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)NCCCCC(=O)[O-] ZINC000666542946 975968800 /nfs/dbraw/zinc/96/88/00/975968800.db2.gz PKXCAFCAPMWJQG-CRAIPNDOSA-N -1 0 332.444 3.500 20 0 EHADRM O=C([O-])CCCCNC(=O)N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000666550601 975971998 /nfs/dbraw/zinc/97/19/98/975971998.db2.gz FAMZEKALEFPTJZ-UKRRQHHQSA-N -1 0 338.835 3.530 20 0 EHADRM O=C([O-])CCCCNC(=O)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000666559439 975973474 /nfs/dbraw/zinc/97/34/74/975973474.db2.gz VIROMGUVTOCCFQ-OAHLLOKOSA-N -1 0 338.835 3.832 20 0 EHADRM CO[C@H]1CCC[C@@H](CC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C1 ZINC000668277205 975982304 /nfs/dbraw/zinc/98/23/04/975982304.db2.gz BHAJUMUCPHRNKF-CJNGLKHVSA-N -1 0 333.428 3.583 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)NCc1ccc(C2CCC2)cc1 ZINC000668319071 975996287 /nfs/dbraw/zinc/99/62/87/975996287.db2.gz AASNBVVERREECG-UHFFFAOYSA-N -1 0 337.419 3.901 20 0 EHADRM Cc1ccc([C@@H]2CCN(C(=O)c3ccc(C(=O)[O-])cc3F)C2)c(C)c1 ZINC000668322518 975997662 /nfs/dbraw/zinc/99/76/62/975997662.db2.gz YFXUTHVIFIRSBE-OAHLLOKOSA-N -1 0 341.382 3.770 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000669434273 976000393 /nfs/dbraw/zinc/00/03/93/976000393.db2.gz CHEHIABRXGGHLP-BBRMVZONSA-N -1 0 341.382 3.609 20 0 EHADRM Cc1oc(C)c(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)c1C ZINC000671667034 976010974 /nfs/dbraw/zinc/01/09/74/976010974.db2.gz UAABEJMKCBKLNN-UHFFFAOYSA-N -1 0 331.368 3.943 20 0 EHADRM O=C([O-])CN(C(=O)c1[nH]c2ccccc2c1Cl)C1CCCCC1 ZINC000675992950 976023431 /nfs/dbraw/zinc/02/34/31/976023431.db2.gz AMCILRWLFAUPSK-UHFFFAOYSA-N -1 0 334.803 3.681 20 0 EHADRM CC(C)(C(=O)NC1CCC(C(=O)[O-])CC1)c1ccc2ccccc2c1 ZINC000678302638 976031166 /nfs/dbraw/zinc/03/11/66/976031166.db2.gz MGROCFUELWYAJS-UHFFFAOYSA-N -1 0 339.435 3.877 20 0 EHADRM Cc1ccc(CCC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c(C)c1 ZINC000679103283 976044188 /nfs/dbraw/zinc/04/41/88/976044188.db2.gz QYKCNGUAMMFQRD-QGZVFWFLSA-N -1 0 331.456 3.585 20 0 EHADRM Cc1ccccc1C(C)(C)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000679104753 976046727 /nfs/dbraw/zinc/04/67/27/976046727.db2.gz XWRFKYNSZWZMSY-OAHLLOKOSA-N -1 0 331.456 3.622 20 0 EHADRM CCN(C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1)C(C)C ZINC000681572248 976066929 /nfs/dbraw/zinc/06/69/29/976066929.db2.gz IOXLMEIKNACSQY-MRXNPFEDSA-N -1 0 334.460 3.940 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CNC(=O)c2cc(C(=O)[O-])co2)c2ccccc21 ZINC001591845937 976125200 /nfs/dbraw/zinc/12/52/00/976125200.db2.gz HXNCKHLWDUSDEC-LRDDRELGSA-N -1 0 327.380 3.635 20 0 EHADRM C[C@H](Sc1ccc(-c2ccc(C3(CO)CC3)cc2)cc1)C(=O)[O-] ZINC000579733012 1014315878 /nfs/dbraw/zinc/31/58/78/1014315878.db2.gz GTZUHEINLBCQPZ-ZDUSSCGKSA-N -1 0 328.433 3.943 20 0 EHADRM CC(C)c1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)c(O)c1 ZINC001591942135 976465382 /nfs/dbraw/zinc/46/53/82/976465382.db2.gz MBQGPLBPQCRQQB-ZOBUZTSGSA-N -1 0 345.439 3.621 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])CC2 ZINC001591973533 976576402 /nfs/dbraw/zinc/57/64/02/976576402.db2.gz CYZUJLWHVMVCBJ-CGTJXYLNSA-N -1 0 344.455 3.740 20 0 EHADRM CC(C)c1ccc2occ(C(=O)N[C@H](C(=O)[O-])c3cccnc3)c2c1 ZINC001591980663 976594604 /nfs/dbraw/zinc/59/46/04/976594604.db2.gz KDSXCONNWJQQHQ-KRWDZBQOSA-N -1 0 338.363 3.507 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1ccc(C(=O)[O-])n1C)CCC2 ZINC001591981659 976597789 /nfs/dbraw/zinc/59/77/89/976597789.db2.gz VATHOISMSQVYJO-INIZCTEOSA-N -1 0 340.423 3.654 20 0 EHADRM CC(C)c1cccc(CNC(=O)N[C@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC001591988231 976616850 /nfs/dbraw/zinc/61/68/50/976616850.db2.gz ZMGYOVMXUIRRSZ-LLVKDONJSA-N -1 0 347.440 3.525 20 0 EHADRM CCOC(=O)c1cnc(NC(=O)c2sc3ccc(F)cc3c2C)[n-]1 ZINC000339392726 1014339043 /nfs/dbraw/zinc/33/90/43/1014339043.db2.gz UHWCLGMPLIUHCU-UHFFFAOYSA-N -1 0 347.371 3.501 20 0 EHADRM CC(C)c1ccccc1NC(=O)CSCc1cccc(C(=O)[O-])n1 ZINC001591993984 976626936 /nfs/dbraw/zinc/62/69/36/976626936.db2.gz FAGBCKYNADHQEM-UHFFFAOYSA-N -1 0 344.436 3.775 20 0 EHADRM CC(C)c1ccccc1NC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC001591998062 976645408 /nfs/dbraw/zinc/64/54/08/976645408.db2.gz MCBACJSXIQXJET-HLLBOEOZSA-N -1 0 330.428 3.917 20 0 EHADRM CC(C)c1ccccc1OCC(=O)OC1CCC(CC(=O)[O-])CC1 ZINC001591998614 976645566 /nfs/dbraw/zinc/64/55/66/976645566.db2.gz PTILTVDPFDMGBO-UHFFFAOYSA-N -1 0 334.412 3.766 20 0 EHADRM CC(C)c1ccccc1OCC(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001591999141 976648118 /nfs/dbraw/zinc/64/81/18/976648118.db2.gz YSUGJKLCHOCJBU-INIZCTEOSA-N -1 0 347.455 3.586 20 0 EHADRM CC(C)c1ccccc1OCCC(=O)OCc1cc(C(=O)[O-])co1 ZINC001592004456 976668299 /nfs/dbraw/zinc/66/82/99/976668299.db2.gz QURKTHMHBBXPIW-UHFFFAOYSA-N -1 0 332.352 3.614 20 0 EHADRM CC(C)c1ccccc1OCCC(=O)Nc1sccc1C(=O)[O-] ZINC001592004444 976668345 /nfs/dbraw/zinc/66/83/45/976668345.db2.gz QCHJRCVWPBGDTD-UHFFFAOYSA-N -1 0 333.409 3.977 20 0 EHADRM CC(C)c1nc(NC(=O)/C=C/c2ccccc2F)sc1C(=O)[O-] ZINC001592023032 976724083 /nfs/dbraw/zinc/72/40/83/976724083.db2.gz XQUYABRRZFFFAK-BQYQJAHWSA-N -1 0 334.372 3.756 20 0 EHADRM CC(C)c1nc(NC(=O)[C@@H](C)Cc2ccccc2)sc1C(=O)[O-] ZINC001592028903 976732025 /nfs/dbraw/zinc/73/20/25/976732025.db2.gz VBPUNIAAZWMKRA-NSHDSACASA-N -1 0 332.425 3.782 20 0 EHADRM CC(C)c1nsc(CN[C@@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)n1 ZINC001592105393 976877789 /nfs/dbraw/zinc/87/77/89/976877789.db2.gz DZOYMTHXVUDWBY-XIKOKIGWSA-N -1 0 345.468 3.629 20 0 EHADRM CC(C)n1ccc(N[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)n1 ZINC001592142416 976987905 /nfs/dbraw/zinc/98/79/05/976987905.db2.gz AORYRVSSFOWXJR-CYBMUJFWSA-N -1 0 327.306 3.721 20 0 EHADRM CC(C)n1nccc1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001592163562 977055821 /nfs/dbraw/zinc/05/58/21/977055821.db2.gz JFLUWCGEZKXRLK-UHFFFAOYSA-N -1 0 329.381 3.629 20 0 EHADRM C[C@H](CC(=O)N(C)Cc1ccc(OCC(=O)[O-])cc1)CC(C)(C)C ZINC001592226449 977419703 /nfs/dbraw/zinc/41/97/03/977419703.db2.gz XUVIOKWNKHVAOQ-CQSZACIVSA-N -1 0 335.444 3.571 20 0 EHADRM C[C@@H](CC(=O)N1CCc2ccc(C(=O)[O-])cc21)c1ccc(F)cc1 ZINC001592235644 977440444 /nfs/dbraw/zinc/44/04/44/977440444.db2.gz AHLGKPUUPRNPJW-LBPRGKRZSA-N -1 0 327.355 3.607 20 0 EHADRM C[C@@H](CC(=O)N1CCOc2ccccc2[C@@H]1C(=O)[O-])C1CCCCC1 ZINC001592235716 977440454 /nfs/dbraw/zinc/44/04/54/977440454.db2.gz BZWIRYBIPVIMGO-IFXJQAMLSA-N -1 0 345.439 3.640 20 0 EHADRM C[C@H](CC(=O)N1CCOc2ccccc2[C@H]1C(=O)[O-])C1CCCCC1 ZINC001592235718 977440765 /nfs/dbraw/zinc/44/07/65/977440765.db2.gz BZWIRYBIPVIMGO-KUHUBIRLSA-N -1 0 345.439 3.640 20 0 EHADRM C/C=C/C[C@@H](NC(=O)Nc1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000654798620 1014420607 /nfs/dbraw/zinc/42/06/07/1014420607.db2.gz MVBKLTBFXMBMIJ-YWVDXFKGSA-N -1 0 344.333 3.722 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)OCc1ccc([C@H](C)C(F)(F)F)cc1 ZINC001592400246 977963026 /nfs/dbraw/zinc/96/30/26/977963026.db2.gz BLRJOBZJRNVKET-QWRGUYRKSA-N -1 0 332.318 3.897 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)OCc1ncc(-c2ccc(Cl)cc2)o1 ZINC001592403542 977975049 /nfs/dbraw/zinc/97/50/49/977975049.db2.gz ZNZZXXJIHKFNSK-SNVBAGLBSA-N -1 0 337.759 3.539 20 0 EHADRM C[C@H](CC(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1)c1ccncc1 ZINC001592423769 978040914 /nfs/dbraw/zinc/04/09/14/978040914.db2.gz HBFQEKXNQVGYNN-BZNIZROVSA-N -1 0 333.771 3.598 20 0 EHADRM C[C@@H](CC(C)(C)CC(=O)[O-])Nc1cc(N2CCCC2=O)ccc1F ZINC001592446354 978124381 /nfs/dbraw/zinc/12/43/81/978124381.db2.gz WTHFYJDRDYRLNA-LBPRGKRZSA-N -1 0 336.407 3.644 20 0 EHADRM COc1ccc(C(=O)N[C@@H](C)c2ccccc2OC(C)C)c(O)c1 ZINC001625781706 1014460637 /nfs/dbraw/zinc/46/06/37/1014460637.db2.gz OPMDQLBCXVDPGR-ZDUSSCGKSA-N -1 0 329.396 3.679 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001592454418 978164486 /nfs/dbraw/zinc/16/44/86/978164486.db2.gz WZFPRDRINWQBBC-CFYYFVFUSA-N -1 0 341.407 3.864 20 0 EHADRM C[C@@H](CCC(=O)NC[C@H](C(=O)[O-])C1CCCCC1)c1ccccc1 ZINC001592471779 978233972 /nfs/dbraw/zinc/23/39/72/978233972.db2.gz VNDLIHJXENMTEX-YJBOKZPZSA-N -1 0 331.456 3.968 20 0 EHADRM C[C@@H](CCC(C)(C)C)C(=O)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001592477608 978245343 /nfs/dbraw/zinc/24/53/43/978245343.db2.gz LUTCHHAIYTVIOF-RYUDHWBXSA-N -1 0 338.473 3.620 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC001592492705 978288248 /nfs/dbraw/zinc/28/82/48/978288248.db2.gz XVFLNKXNKZQFEY-MRXNPFEDSA-N -1 0 331.456 3.891 20 0 EHADRM CC(=O)c1[nH]c(CC(=O)Nc2cccc(C(C)C)c2)c(C(=O)[O-])c1C ZINC000736180960 978308282 /nfs/dbraw/zinc/30/82/82/978308282.db2.gz SLBCUBVYSJYPRI-UHFFFAOYSA-N -1 0 342.395 3.529 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@@H](C)Cc1ccccc1F)c1ccccc1 ZINC000736850367 978362368 /nfs/dbraw/zinc/36/23/68/978362368.db2.gz WDUAVELPVHCAMM-KBXCAEBGSA-N -1 0 343.398 3.901 20 0 EHADRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1cc(Cl)ccc1O ZINC000547631657 1014496449 /nfs/dbraw/zinc/49/64/49/1014496449.db2.gz LCDUFYKJAOBQRF-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM Cc1ccc(NC(=O)C(C)C)cc1N[C@H](C(=O)[O-])c1ccccc1 ZINC000738280484 978510820 /nfs/dbraw/zinc/51/08/20/978510820.db2.gz NLRHDGVCJRCGHZ-KRWDZBQOSA-N -1 0 326.396 3.827 20 0 EHADRM Cc1cc(COC(=O)CCOc2cc(C)cc(C)c2C)oc1C(=O)[O-] ZINC000738355976 978522829 /nfs/dbraw/zinc/52/28/29/978522829.db2.gz OSKUBNRJVWKREY-UHFFFAOYSA-N -1 0 346.379 3.724 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)N(C)c1ccc(F)cc1)C(=O)[O-] ZINC001592606245 978554366 /nfs/dbraw/zinc/55/43/66/978554366.db2.gz XJNQKFOITUOIOZ-CQSZACIVSA-N -1 0 344.386 3.605 20 0 EHADRM Cc1cccn2cc(CNc3cc(C(=O)[O-])ccc3OC(C)C)nc12 ZINC000738784870 978601796 /nfs/dbraw/zinc/60/17/96/978601796.db2.gz AUQHZWZCHUUWDJ-UHFFFAOYSA-N -1 0 339.395 3.740 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000740066247 978665598 /nfs/dbraw/zinc/66/55/98/978665598.db2.gz OYHCCGDUOIMYFS-VXGBXAGGSA-N -1 0 333.746 3.920 20 0 EHADRM Cc1ccc(-c2cc(C(=O)N3CCc4cc(C(=O)[O-])ccc43)on2)cc1 ZINC000746357637 978683602 /nfs/dbraw/zinc/68/36/02/978683602.db2.gz VOACXFNQUGGQIM-UHFFFAOYSA-N -1 0 348.358 3.551 20 0 EHADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)C1CCCCCCC1 ZINC000762230175 978719047 /nfs/dbraw/zinc/71/90/47/978719047.db2.gz FUSRTBJGTTULSO-GOSISDBHSA-N -1 0 331.456 3.939 20 0 EHADRM O=C([O-])CCCCNC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000773235197 978744910 /nfs/dbraw/zinc/74/49/10/978744910.db2.gz XQSCJDFLNSVCSX-UHFFFAOYSA-N -1 0 348.226 3.524 20 0 EHADRM CC(C)(C)SCC(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000776676222 978769120 /nfs/dbraw/zinc/76/91/20/978769120.db2.gz DPNMHUQOFRFASU-GFCCVEGCSA-N -1 0 329.849 3.504 20 0 EHADRM CC(C)(C)SCC(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000776676223 978769148 /nfs/dbraw/zinc/76/91/48/978769148.db2.gz DPNMHUQOFRFASU-LBPRGKRZSA-N -1 0 329.849 3.504 20 0 EHADRM Cc1cc(C)c(/C=C\C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1C ZINC000777364887 978776704 /nfs/dbraw/zinc/77/67/04/978776704.db2.gz FWQVMAAMEJRNTJ-ZTBDEIDFSA-N -1 0 349.430 3.836 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)Nc2cccc(-c3cc[nH]n3)c2)c1 ZINC000811814647 978857755 /nfs/dbraw/zinc/85/77/55/978857755.db2.gz ONVSEGCIZZBFBD-UHFFFAOYSA-N -1 0 341.754 3.681 20 0 EHADRM Cc1ccccc1O[C@@H](C)CNC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811819227 978863188 /nfs/dbraw/zinc/86/31/88/978863188.db2.gz KZQKAFSOKRYETE-LBPRGKRZSA-N -1 0 347.798 3.544 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)NCCCCc2ccccc2)c1 ZINC000811820222 978864893 /nfs/dbraw/zinc/86/48/93/978864893.db2.gz RSIOJIPHBQVWSV-UHFFFAOYSA-N -1 0 331.799 3.791 20 0 EHADRM CC(C)Cn1cc(C(=O)N(CC(=O)[O-])C2CCCC2)c2ccccc21 ZINC000826917918 978950891 /nfs/dbraw/zinc/95/08/91/978950891.db2.gz NTCXDMWPVZJFDE-UHFFFAOYSA-N -1 0 342.439 3.767 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1)C(=O)[O-] ZINC000827493338 978960089 /nfs/dbraw/zinc/96/00/89/978960089.db2.gz QJPQAEHDCRZFKO-LLVKDONJSA-N -1 0 348.786 3.975 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC000827670968 978963378 /nfs/dbraw/zinc/96/33/78/978963378.db2.gz AALZVABIPJKLBB-NEPJUHHUSA-N -1 0 330.359 3.838 20 0 EHADRM Cc1ccc(NC(=O)c2cccnc2SC(F)F)cc1C(=O)[O-] ZINC000832948235 979059058 /nfs/dbraw/zinc/05/90/58/979059058.db2.gz XFDRHHFWZQHIJZ-UHFFFAOYSA-N -1 0 338.335 3.655 20 0 EHADRM CC[C@@H](C)n1nc(NC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1C ZINC001595022480 979106539 /nfs/dbraw/zinc/10/65/39/979106539.db2.gz CLQPTDSBARIZCS-SNVBAGLBSA-N -1 0 348.378 3.573 20 0 EHADRM CC[C@@H](C)n1nc(NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1C ZINC001595023527 979115894 /nfs/dbraw/zinc/11/58/94/979115894.db2.gz INZOLROCAGSQJT-LLVKDONJSA-N -1 0 330.388 3.813 20 0 EHADRM CC[C@@H](C)n1ncc(NC(=O)Nc2ccc(C(=O)[O-])cc2C)c1C ZINC001595026819 979138252 /nfs/dbraw/zinc/13/82/52/979138252.db2.gz LKRITBZVCQAKEZ-LLVKDONJSA-N -1 0 330.388 3.813 20 0 EHADRM CC[C@@H](CC(=O)N(CC(=O)[O-])c1ccccc1)c1ccc(OC)cc1 ZINC001595030203 979164672 /nfs/dbraw/zinc/16/46/72/979164672.db2.gz LOAFQLXTIAVFAD-HNNXBMFYSA-N -1 0 341.407 3.697 20 0 EHADRM CC[C@@H](CC(=O)NC(C)(C)c1nocc1C(=O)[O-])c1ccc(C)cc1 ZINC001595033683 979177707 /nfs/dbraw/zinc/17/77/07/979177707.db2.gz PRXFGKVLGWKCDX-ZDUSSCGKSA-N -1 0 344.411 3.616 20 0 EHADRM CC[C@H](CC(=O)N1CCc2c(C(=O)[O-])ccc(OC)c2C1)C(C)(C)C ZINC001595033673 979177868 /nfs/dbraw/zinc/17/78/68/979177868.db2.gz PESRWEBOHZKKKP-CYBMUJFWSA-N -1 0 347.455 3.741 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NCc1ncc(Cl)cc1Cl)c1ccccc1 ZINC000833406160 979179901 /nfs/dbraw/zinc/17/99/01/979179901.db2.gz CVZUNZIFEAYGKQ-MEBBXXQBSA-N -1 0 339.222 3.940 20 0 EHADRM C[C@H](CNc1nc(-c2cccc(Cl)c2)nc2c1CCCC2)C(=O)[O-] ZINC001592728573 979238008 /nfs/dbraw/zinc/23/80/08/979238008.db2.gz IGQATKLWZZGYNI-LLVKDONJSA-N -1 0 345.830 3.808 20 0 EHADRM C[C@@H](CC(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1)C1CC1 ZINC000836756785 979264013 /nfs/dbraw/zinc/26/40/13/979264013.db2.gz PNLRLRFBJIVHRN-NSHDSACASA-N -1 0 344.436 3.561 20 0 EHADRM CCC(CC)(CNC(=O)c1ccccc1C(=O)[O-])c1ccccc1 ZINC001595075097 979347575 /nfs/dbraw/zinc/34/75/75/979347575.db2.gz AHOONPFCKABKDU-UHFFFAOYSA-N -1 0 325.408 3.873 20 0 EHADRM CCC(CC)CCCN(C)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595109851 979448297 /nfs/dbraw/zinc/44/82/97/979448297.db2.gz OOMHBCPZUHTMPJ-NSHDSACASA-N -1 0 341.477 3.760 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)N(CC(=O)[O-])c2ccccc2)cc1 ZINC001595121167 979486652 /nfs/dbraw/zinc/48/66/52/979486652.db2.gz FIKXYGWRRFTFMH-UHFFFAOYSA-N -1 0 341.407 3.985 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)Nc2cc(C)c(C(=O)[O-])cn2)cc1 ZINC001595121400 979490561 /nfs/dbraw/zinc/49/05/61/979490561.db2.gz LCGXQTLIZIAJHW-UHFFFAOYSA-N -1 0 342.395 3.908 20 0 EHADRM COc1ccc([C@@H](NC(=O)c2ccc(/C=C/C(=O)[O-])o2)C(C)C)cc1 ZINC000851593067 979501976 /nfs/dbraw/zinc/50/19/76/979501976.db2.gz LBSJAHCWWRYXDN-CKDFRHGISA-N -1 0 343.379 3.513 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)c1ccc(/C=C\C(=O)[O-])o1)C(C)C ZINC000851594200 979505448 /nfs/dbraw/zinc/50/54/48/979505448.db2.gz HSPOWXDSBJYLSG-FYGXRCCRSA-N -1 0 327.380 3.813 20 0 EHADRM CCCN(CCc1cccc(F)c1)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851601261 979520649 /nfs/dbraw/zinc/52/06/49/979520649.db2.gz JTQQPICUESBJHK-CLFYSBASSA-N -1 0 345.370 3.611 20 0 EHADRM CC[C@@H](CNC(=O)C(CC)(CC)c1ccc(Cl)cc1)C(=O)[O-] ZINC001595134736 979569325 /nfs/dbraw/zinc/56/93/25/979569325.db2.gz CCQFSMQDGGYYOV-LBPRGKRZSA-N -1 0 325.836 3.625 20 0 EHADRM CC(C)c1ccc(C[C@@H](C)NC(=O)c2ccsc2C(=O)[O-])cc1 ZINC001592834270 979574608 /nfs/dbraw/zinc/57/46/08/979574608.db2.gz OLDSIKHPTGFLFN-GFCCVEGCSA-N -1 0 331.437 3.931 20 0 EHADRM CN(C(=O)c1ccc(OCC(=O)[O-])cc1)c1ccc(C(C)(C)C)cc1 ZINC000852950889 979587974 /nfs/dbraw/zinc/58/79/74/979587974.db2.gz SNXCALCYBZLELN-UHFFFAOYSA-N -1 0 341.407 3.724 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1Cl)Nc1cc(C(=O)[O-])ncn1 ZINC001592839429 979597892 /nfs/dbraw/zinc/59/78/92/979597892.db2.gz NBAKUSVLTGRHLG-QMMMGPOBSA-N -1 0 326.183 3.525 20 0 EHADRM CCCN(C)c1ccc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cc1 ZINC000856722853 979610453 /nfs/dbraw/zinc/61/04/53/979610453.db2.gz RRNZKQWFANGUEK-AWEZNQCLSA-N -1 0 340.423 3.973 20 0 EHADRM C/C(=C\C(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-])c1cccs1 ZINC000856922405 979611942 /nfs/dbraw/zinc/61/19/42/979611942.db2.gz AJMAIDOWDSBNAD-ATGUSINASA-N -1 0 343.448 3.901 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC001592855043 979659398 /nfs/dbraw/zinc/65/93/98/979659398.db2.gz ZMQOADMPBKMKTG-DYVFJYSZSA-N -1 0 335.419 3.544 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N2CCC(C3CC3)CC2)cc1)C(=O)[O-] ZINC001592860261 979689411 /nfs/dbraw/zinc/68/94/11/979689411.db2.gz GTARTAJWDUZFMX-ZDUSSCGKSA-N -1 0 330.428 3.604 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N2CC[C@H](C(C)(C)C)C2)cc1)C(=O)[O-] ZINC001592860561 979691074 /nfs/dbraw/zinc/69/10/74/979691074.db2.gz JMZSYFDLMFDGTQ-ZFWWWQNUSA-N -1 0 332.444 3.850 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N2C[C@@H]3CCCC[C@@H]3C2)cc1)C(=O)[O-] ZINC001592861719 979701927 /nfs/dbraw/zinc/70/19/27/979701927.db2.gz WDDWIQYZGFDFLP-BMFZPTHFSA-N -1 0 330.428 3.604 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)NCC(F)(F)C(C)(C)C)cc1)C(=O)[O-] ZINC001592866993 979713127 /nfs/dbraw/zinc/71/31/27/979713127.db2.gz NJLHVOQCMRXLKA-LLVKDONJSA-N -1 0 342.386 3.753 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12 ZINC000864133032 979735319 /nfs/dbraw/zinc/73/53/19/979735319.db2.gz YAHAKXCMTNFMNO-CGTJXYLNSA-N -1 0 349.858 3.767 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001592884899 979767176 /nfs/dbraw/zinc/76/71/76/979767176.db2.gz FILRAVUYRCAVAD-JTQLQIEISA-N -1 0 336.746 3.962 20 0 EHADRM O=C([O-])[C@@H]1CCCCCN1C(=O)/C=C\c1ccsc1C(F)(F)F ZINC000864158386 979770830 /nfs/dbraw/zinc/77/08/30/979770830.db2.gz KAXGXTNEGFSCOE-GZTOBOFZSA-N -1 0 347.358 3.636 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC001592890338 979776819 /nfs/dbraw/zinc/77/68/19/979776819.db2.gz GLFDGSGDMRRFLJ-LRDDRELGSA-N -1 0 337.847 3.668 20 0 EHADRM C[C@@](Cc1ccccc1)(NC(=O)c1c[nH]c(C(=O)[O-])c1)c1ccccc1 ZINC001592891484 979783384 /nfs/dbraw/zinc/78/33/84/979783384.db2.gz MPMNZTTVHUIXOV-NRFANRHFSA-N -1 0 348.402 3.601 20 0 EHADRM O=C([O-])C1=CC[C@H](NC(=O)CCCc2ccc(Cl)c(Cl)c2)C1 ZINC000864163491 979783610 /nfs/dbraw/zinc/78/36/10/979783610.db2.gz SAXKDABZGYQHLS-LBPRGKRZSA-N -1 0 342.222 3.606 20 0 EHADRM O=C([O-])C1=CC[C@@H](NC(=O)C2(Cc3cccc(Cl)c3)CCCC2)C1 ZINC000864164979 979788126 /nfs/dbraw/zinc/78/81/26/979788126.db2.gz LCQJJOFXQLEKGI-MRXNPFEDSA-N -1 0 347.842 3.733 20 0 EHADRM Cc1ccc(SC2(C(=O)N[C@@H]3CC=C(C(=O)[O-])C3)CCCC2)cc1 ZINC000864166501 979791036 /nfs/dbraw/zinc/79/10/36/979791036.db2.gz YCOBMCQOZGZGMM-OAHLLOKOSA-N -1 0 345.464 3.690 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001592896621 979798404 /nfs/dbraw/zinc/79/84/04/979798404.db2.gz QQISCMYBQNGDGI-ORAYPTAESA-N -1 0 335.419 3.544 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(/C=C\C(=O)[O-])o1)c1cc(C)ccc1C ZINC000864175863 979816776 /nfs/dbraw/zinc/81/67/76/979816776.db2.gz SSLHUVMIGOIELI-SIJIIQCFSA-N -1 0 327.380 3.875 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N[C@H]1CCc2ccc(Cl)cc21 ZINC000864178658 979824966 /nfs/dbraw/zinc/82/49/66/979824966.db2.gz IJECIZRNIDCROM-KRWDZBQOSA-N -1 0 343.810 3.775 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@](C)(CC(=O)[O-])C1CC1 ZINC000864197628 979865340 /nfs/dbraw/zinc/86/53/40/979865340.db2.gz HYCIQGLUGTTWFL-HWPZZCPQSA-N -1 0 341.860 3.580 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@@](C)(CC(=O)[O-])C2CC2)c1 ZINC000864199277 979873140 /nfs/dbraw/zinc/87/31/40/979873140.db2.gz SBEMELQOEBYWFE-VLIAUNLRSA-N -1 0 347.455 3.645 20 0 EHADRM C[C@H](Cc1cncc2ccccc21)C(=O)O[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001592909450 979873522 /nfs/dbraw/zinc/87/35/22/979873522.db2.gz XUSIUTUDMLRANE-JEBQAFNWSA-N -1 0 341.407 3.600 20 0 EHADRM C[C@H](Cc1nnc(SCc2ccc(C(=O)[O-])o2)o1)c1ccccc1 ZINC001592913236 979887125 /nfs/dbraw/zinc/88/71/25/979887125.db2.gz ZWIOLSQQRFDQJB-LLVKDONJSA-N -1 0 344.392 3.999 20 0 EHADRM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001595204244 979975212 /nfs/dbraw/zinc/97/52/12/979975212.db2.gz CRFIIFJHNZPHOZ-ZPIQOJFGSA-N -1 0 347.798 3.782 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC001595210881 979985584 /nfs/dbraw/zinc/98/55/84/979985584.db2.gz KJUAECQXEHCTCW-KRWDZBQOSA-N -1 0 326.392 3.796 20 0 EHADRM CC(F)(F)c1cc(F)ccc1NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001592943360 980013959 /nfs/dbraw/zinc/01/39/59/980013959.db2.gz HUISACDMEYTMLV-KOLCDFICSA-N -1 0 344.333 3.702 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC001595218685 980034193 /nfs/dbraw/zinc/03/41/93/980034193.db2.gz KOSXDDYXDGUXIM-INIZCTEOSA-N -1 0 331.456 3.810 20 0 EHADRM CO[C@H]1CC[C@@H](C)N(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000872160261 980046967 /nfs/dbraw/zinc/04/69/67/980046967.db2.gz BZAJVCSFAWCHGU-WBMJQRKESA-N -1 0 346.452 3.508 20 0 EHADRM Cc1occ(C(F)(F)F)c1C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000872712110 980092429 /nfs/dbraw/zinc/09/24/29/980092429.db2.gz ITVOTQMTKHRMDK-UHFFFAOYSA-N -1 0 341.285 3.577 20 0 EHADRM COc1ccc2c(c1)CC[C@H]2C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000872731253 980123341 /nfs/dbraw/zinc/12/33/41/980123341.db2.gz ZMBLWOMRLATMFZ-KPZWWZAWSA-N -1 0 339.391 3.552 20 0 EHADRM CC[C@@](NC(=O)Cc1ccc(C)c(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC001595243128 980171952 /nfs/dbraw/zinc/17/19/52/980171952.db2.gz RWBILIUJXXXRFM-IBGZPJMESA-N -1 0 345.826 3.697 20 0 EHADRM CC[C@@H](NC(=O)Nc1cc(C(=O)[O-])c(C)cc1C)c1ccncc1 ZINC001595251430 980211926 /nfs/dbraw/zinc/21/19/26/980211926.db2.gz AMZOTUUDYHKXBK-OAHLLOKOSA-N -1 0 327.384 3.669 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC=CCCC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593002674 980216345 /nfs/dbraw/zinc/21/63/45/980216345.db2.gz KOVAILHQQPLLOW-JQHSSLGASA-N -1 0 329.440 3.571 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2cc(C3CC3)oc2C2CC2)c(F)c1 ZINC000899296174 980225255 /nfs/dbraw/zinc/22/52/55/980225255.db2.gz UZZWNXWWZXFAEB-UHFFFAOYSA-N -1 0 343.354 3.802 20 0 EHADRM C[C@H](NCc1ccccc1N1CCCCC1)c1ncc(C(=O)[O-])s1 ZINC000900041936 980239751 /nfs/dbraw/zinc/23/97/51/980239751.db2.gz WFBYUGMUZOAIEV-ZDUSSCGKSA-N -1 0 345.468 3.682 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c2ccccc12)[C@H]1CCCO1 ZINC001595256871 980240740 /nfs/dbraw/zinc/24/07/40/980240740.db2.gz JQPQRPOSNXTKJE-NVXWUHKLSA-N -1 0 342.395 3.617 20 0 EHADRM C[C@@](NC(=O)CC(C1CCC1)C1CCC1)(C(=O)[O-])c1ccccc1 ZINC001593011045 980244378 /nfs/dbraw/zinc/24/43/78/980244378.db2.gz LVMPJPXIEALGEY-FQEVSTJZSA-N -1 0 329.440 3.709 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(C(=O)[O-])s1)c1cc(F)ccc1F ZINC001595257688 980248516 /nfs/dbraw/zinc/24/85/16/980248516.db2.gz TZOPYMAOCMPJNY-NSHDSACASA-N -1 0 340.351 3.997 20 0 EHADRM CC[C@@](NC(=O)[C@@H]1C[C@H]1c1cccc(C)c1)(C(=O)[O-])c1ccccc1 ZINC001595259383 980264560 /nfs/dbraw/zinc/26/45/60/980264560.db2.gz YPFFKWAWEDLKGQ-UEXGIBASSA-N -1 0 337.419 3.605 20 0 EHADRM CC[C@](NC(=O)[C@@H]1C[C@H]1c1cccc(C)c1)(C(=O)[O-])c1ccccc1 ZINC001595259386 980264772 /nfs/dbraw/zinc/26/47/72/980264772.db2.gz YPFFKWAWEDLKGQ-WAOWUJCRSA-N -1 0 337.419 3.605 20 0 EHADRM C[C@@H](NC(=O)CCC[Si](C)(C)C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593019377 980270177 /nfs/dbraw/zinc/27/01/77/980270177.db2.gz RPWCLVOODWEUKK-ZBFHGGJFSA-N -1 0 335.520 3.553 20 0 EHADRM CC[C@H](N[C@@H](C)c1cc(C(=O)[O-])cs1)c1nnc2n1CCCCC2 ZINC001595278401 980310753 /nfs/dbraw/zinc/31/07/53/980310753.db2.gz DEVGOGVJOSCJIA-AAEUAGOBSA-N -1 0 348.472 3.566 20 0 EHADRM O=C([O-])C[C@@H]1CN(Cc2ccc(Sc3ccccc3)cc2)CCO1 ZINC000901500627 980319130 /nfs/dbraw/zinc/31/91/30/980319130.db2.gz CTXOZWFHIRYSLV-MRXNPFEDSA-N -1 0 343.448 3.513 20 0 EHADRM Cc1ccnc(CNc2cccc(CCC(=O)[O-])c2)c1Br ZINC000901555227 980380605 /nfs/dbraw/zinc/38/06/05/980380605.db2.gz QJKJVQRJWGHLEK-UHFFFAOYSA-N -1 0 349.228 3.782 20 0 EHADRM O=C([O-])CCN(Cc1ncc(Cl)s1)Cc1ccc(F)c(F)c1 ZINC000901657738 980430900 /nfs/dbraw/zinc/43/09/00/980430900.db2.gz RKENZUUJFMZWPC-UHFFFAOYSA-N -1 0 346.786 3.552 20 0 EHADRM CC[C@H](Nc1ccc(NC(=O)COC)cc1)c1ccc(C(=O)[O-])cc1 ZINC001595318676 980501911 /nfs/dbraw/zinc/50/19/11/980501911.db2.gz PAOOVFJPJZGQHW-KRWDZBQOSA-N -1 0 342.395 3.533 20 0 EHADRM CC[C@H](Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)C(=O)[O-] ZINC001595318948 980503953 /nfs/dbraw/zinc/50/39/53/980503953.db2.gz VFENKXNOPHRXHO-VIFPVBQESA-N -1 0 327.249 3.624 20 0 EHADRM CC[C@@H](Nc1ccc(OCC(F)F)c(C(F)(F)F)c1)C(=O)[O-] ZINC001595318947 980504150 /nfs/dbraw/zinc/50/41/50/980504150.db2.gz VFENKXNOPHRXHO-SECBINFHSA-N -1 0 327.249 3.624 20 0 EHADRM COc1cc(F)cc(OC)c1CNc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000901814384 980536177 /nfs/dbraw/zinc/53/61/77/980536177.db2.gz HNXJWURGHJZDDZ-LLVKDONJSA-N -1 0 333.359 3.643 20 0 EHADRM CN(Cc1cnc(C(C)(C)C)s1)Cc1ccc(OCC(=O)[O-])cc1 ZINC000901833253 980552398 /nfs/dbraw/zinc/55/23/98/980552398.db2.gz XBZQHPDRGMKCRP-UHFFFAOYSA-N -1 0 348.468 3.536 20 0 EHADRM Cc1cc([C@H](NCc2ncc(C(F)(F)F)s2)C(=O)[O-])ccc1F ZINC000901843388 980564634 /nfs/dbraw/zinc/56/46/34/980564634.db2.gz PASGNUYHRKRZAN-LBPRGKRZSA-N -1 0 348.321 3.525 20 0 EHADRM CC[C@@](NCc1cnc(C2CC2)o1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000901872433 980585666 /nfs/dbraw/zinc/58/56/66/980585666.db2.gz KPBVSYPVKIMNSN-KRWDZBQOSA-N -1 0 334.803 3.685 20 0 EHADRM CC[C@H](OC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC001595336566 980594619 /nfs/dbraw/zinc/59/46/19/980594619.db2.gz JONFWMBHPBBXLB-SFHVURJKSA-N -1 0 340.375 3.723 20 0 EHADRM C[C@@H](NCc1ccc2c(c1)CCC(C)(C)O2)c1ncc(C(=O)[O-])s1 ZINC000901909149 980622680 /nfs/dbraw/zinc/62/26/80/980622680.db2.gz BSVNZVNZUJYTEE-LLVKDONJSA-N -1 0 346.452 3.796 20 0 EHADRM CC[C@@H](OC(=O)Cc1cccc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC001595348266 980645114 /nfs/dbraw/zinc/64/51/14/980645114.db2.gz UVOFHNLGSKJWHF-MRXNPFEDSA-N -1 0 334.318 3.900 20 0 EHADRM CC[C@H](OC(=O)c1ccc(/C=C/C(=O)[O-])o1)c1ccc(OC)cc1 ZINC001595348233 980645231 /nfs/dbraw/zinc/64/52/31/980645231.db2.gz JIQIZLPUHHQTGW-GDXASINISA-N -1 0 330.336 3.694 20 0 EHADRM CC[C@@H](OC(=O)c1cccc(OCC(=O)[O-])c1)c1ccnc(Cl)c1 ZINC001595351440 980657252 /nfs/dbraw/zinc/65/72/52/980657252.db2.gz DMVJIWFVYLQJAH-CQSZACIVSA-N -1 0 349.770 3.507 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC001595354861 980696090 /nfs/dbraw/zinc/69/60/90/980696090.db2.gz GZNJODJABFADLK-ORQFMDKSSA-N -1 0 339.476 3.510 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001595356175 980709266 /nfs/dbraw/zinc/70/92/66/980709266.db2.gz CAYAXFMGVCIXBK-JXFKEZNVSA-N -1 0 347.455 3.692 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2cc(Cl)cc(Cl)c2F)CC1 ZINC000902057949 980715395 /nfs/dbraw/zinc/71/53/95/980715395.db2.gz RVBZOKMRNHCCKH-UHFFFAOYSA-N -1 0 348.201 3.850 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)Oc1cc(C(=O)[O-])cc(F)c1C ZINC001595357063 980718645 /nfs/dbraw/zinc/71/86/45/980718645.db2.gz UUNYSJCEKNIKAT-OAHLLOKOSA-N -1 0 338.375 3.866 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1scc(C(=O)[O-])c1C ZINC001595357347 980721645 /nfs/dbraw/zinc/72/16/45/980721645.db2.gz WGINGTXVPPMZDZ-AWEZNQCLSA-N -1 0 333.409 3.859 20 0 EHADRM CCc1oc(CN(Cc2ccco2)Cc2ccco2)cc1C(=O)[O-] ZINC000902075226 980722153 /nfs/dbraw/zinc/72/21/53/980722153.db2.gz WLFOLQYYWPQXSW-UHFFFAOYSA-N -1 0 329.352 3.929 20 0 EHADRM c1nn(C2CCCC2)c(-c2ccccc2)c1CN=c1[n-]c(C2CC2)no1 ZINC000643343825 1014677410 /nfs/dbraw/zinc/67/74/10/1014677410.db2.gz MWFDGYHPYRLEOG-UHFFFAOYSA-N -1 0 349.438 3.960 20 0 EHADRM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])n1C ZINC001595359428 980741639 /nfs/dbraw/zinc/74/16/39/980741639.db2.gz AJBHZHAPAIBJQA-JKSUJKDBSA-N -1 0 340.423 3.522 20 0 EHADRM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001595359545 980742393 /nfs/dbraw/zinc/74/23/93/980742393.db2.gz DFKWRSXTKHNEKV-KURKYZTESA-N -1 0 342.439 3.528 20 0 EHADRM C[C@H]1[C@H](Nc2cccc(N3CCCCC3=O)c2)CC[C@H]1CC(=O)[O-] ZINC000902123375 980745763 /nfs/dbraw/zinc/74/57/63/980745763.db2.gz JKQYLLFBKDJEBI-JKIFEVAISA-N -1 0 330.428 3.505 20 0 EHADRM CC[C@H](c1ccccc1)[C@@H]1CCCN1c1nc(C)cc(C(=O)[O-])n1 ZINC001595360390 980751293 /nfs/dbraw/zinc/75/12/93/980751293.db2.gz VWUBDVSYDCZRLZ-WBVHZDCISA-N -1 0 325.412 3.646 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1coc(C2CCC2)n1 ZINC001595360602 980753029 /nfs/dbraw/zinc/75/30/29/980753029.db2.gz JDNNTGFSWABRGQ-MRXNPFEDSA-N -1 0 342.395 3.620 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cccc(C)c1F ZINC001595360899 980756843 /nfs/dbraw/zinc/75/68/43/980756843.db2.gz POIWBFXPOBGAKO-INIZCTEOSA-N -1 0 329.371 3.812 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001595361251 980760668 /nfs/dbraw/zinc/76/06/68/980760668.db2.gz GFDZTDMZDWTXCO-XMTFNYHQSA-N -1 0 329.440 3.877 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)CCc1ccccc1F ZINC001595362177 980769099 /nfs/dbraw/zinc/76/90/99/980769099.db2.gz YESPVHUXIMOPBZ-SFHVURJKSA-N -1 0 343.398 3.823 20 0 EHADRM Cc1cc(NCc2cc(C(=O)[O-])cs2)ccc1C(=O)NC(C)C ZINC000902237605 980795589 /nfs/dbraw/zinc/79/55/89/980795589.db2.gz GBSRRJDPLNLSNH-UHFFFAOYSA-N -1 0 332.425 3.505 20 0 EHADRM CCC1(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)CCC1 ZINC001595367818 980819518 /nfs/dbraw/zinc/81/95/18/980819518.db2.gz DJWDQLNEYOBYIK-UHFFFAOYSA-N -1 0 330.428 3.894 20 0 EHADRM CCC1(C(=O)Nc2ccc(Br)c(C(=O)[O-])c2C)CCC1 ZINC001595367856 980820572 /nfs/dbraw/zinc/82/05/72/980820572.db2.gz GRZZITMXILJHCQ-UHFFFAOYSA-N -1 0 340.217 3.975 20 0 EHADRM CCC1(C)CCN(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)CC1 ZINC001595370996 980846394 /nfs/dbraw/zinc/84/63/94/980846394.db2.gz LUTQGGNCRNKDEY-AWEZNQCLSA-N -1 0 332.444 3.994 20 0 EHADRM CCC1(CC)CCN(C(=O)Nc2cc3c(cc2C(=O)[O-])OCO3)CC1 ZINC001595375112 980892090 /nfs/dbraw/zinc/89/20/90/980892090.db2.gz RJCRGAUWSLLREA-UHFFFAOYSA-N -1 0 348.399 3.548 20 0 EHADRM CC[C@@]1(CO)CCCN(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])C1 ZINC001595382512 980923957 /nfs/dbraw/zinc/92/39/57/980923957.db2.gz IVOLICJJWHSAAO-LJQANCHMSA-N -1 0 348.443 3.525 20 0 EHADRM CC[C@H]1[C@@H](C)CCN1C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001595404957 980984212 /nfs/dbraw/zinc/98/42/12/980984212.db2.gz NMOSJQWHFBDQAP-WFASDCNBSA-N -1 0 336.457 3.906 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)C[C@H]1CCO[C@H](CC)C1 ZINC001595409441 981008011 /nfs/dbraw/zinc/00/80/11/981008011.db2.gz YELKQQXBPXNEBJ-CGTJXYLNSA-N -1 0 347.455 3.646 20 0 EHADRM CC[C@@H]1C[C@@H](CC(=O)OCc2ccc(C(=O)[O-])c(Cl)c2)CCO1 ZINC001595413459 981014034 /nfs/dbraw/zinc/01/40/34/981014034.db2.gz MSBPMOWCJXJCEV-WCQYABFASA-N -1 0 340.803 3.677 20 0 EHADRM CC[C@@H]1CC[C@H](C)N1C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001595416647 981033456 /nfs/dbraw/zinc/03/34/56/981033456.db2.gz XMSOYPPNQZGIRS-QWHCGFSZSA-N -1 0 334.416 3.967 20 0 EHADRM CC[C@@H]1CCC[C@]1(C)c1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC001595435008 981061432 /nfs/dbraw/zinc/06/14/32/981061432.db2.gz DVDDEJPYWUEKBN-ACJLOTCBSA-N -1 0 330.384 3.815 20 0 EHADRM CC[C@H]1CCC[C@]1(C)C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001595435167 981063421 /nfs/dbraw/zinc/06/34/21/981063421.db2.gz HGJMEMYGKSYMJQ-XLSPSMHOSA-N -1 0 329.440 3.530 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1CNC(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001595441237 981079034 /nfs/dbraw/zinc/07/90/34/981079034.db2.gz OWANVAIIQKZYAV-ZIAGYGMSSA-N -1 0 342.439 3.741 20 0 EHADRM CC[C@@H]1CCCC[C@H]1C(=O)Oc1cc(/C=C/C(=O)[O-])ccc1OC ZINC001595441269 981079575 /nfs/dbraw/zinc/07/95/75/981079575.db2.gz PHLDWNWPRWSIGF-IANUHJRKSA-N -1 0 332.396 3.915 20 0 EHADRM CC(C)(C)OCc1ccccc1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000905131548 981090167 /nfs/dbraw/zinc/09/01/67/981090167.db2.gz TXJIZDPFNJUEIZ-KGLIPLIRSA-N -1 0 333.428 3.831 20 0 EHADRM CC[C@@H](OCCN(C)[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000905372872 981096600 /nfs/dbraw/zinc/09/66/00/981096600.db2.gz NEJOGKFYIIMXSQ-MOPGFXCFSA-N -1 0 327.424 3.912 20 0 EHADRM CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(C)c(C)c1C(=O)[O-] ZINC001595448465 981099303 /nfs/dbraw/zinc/09/93/03/981099303.db2.gz QTPAJMZGJLAQKZ-HOCLYGCPSA-N -1 0 333.428 3.926 20 0 EHADRM CC[C@@H]1CCCCCN1C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001595448716 981100541 /nfs/dbraw/zinc/10/05/41/981100541.db2.gz UPDFSXZGABSWDI-CQSZACIVSA-N -1 0 333.432 3.637 20 0 EHADRM Cc1cc([C@H](NCc2nc(C(F)(F)F)cs2)C(=O)[O-])ccc1F ZINC000905382132 981103278 /nfs/dbraw/zinc/10/32/78/981103278.db2.gz ALJWETZJMMTBBT-LBPRGKRZSA-N -1 0 348.321 3.525 20 0 EHADRM CC[C@H]1CCCCN1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001595452010 981111842 /nfs/dbraw/zinc/11/18/42/981111842.db2.gz XONVLVIYAAJGBF-HNNXBMFYSA-N -1 0 345.443 3.781 20 0 EHADRM CC[C@H]1CCCN(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)C1 ZINC001595453641 981119797 /nfs/dbraw/zinc/11/97/97/981119797.db2.gz SZLAMVQRSLOTDI-VIFPVBQESA-N -1 0 328.771 3.831 20 0 EHADRM CSc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)o1 ZINC000905753302 981141550 /nfs/dbraw/zinc/14/15/50/981141550.db2.gz ZRWJSBITCIKRMK-CYBMUJFWSA-N -1 0 345.342 3.936 20 0 EHADRM CC[C@H]1CN(C(=O)c2cccc(C(=O)[O-])c2)c2cccc(Cl)c2O1 ZINC001595481065 981200100 /nfs/dbraw/zinc/20/01/00/981200100.db2.gz QYWARLXWJAKJPN-ZDUSSCGKSA-N -1 0 345.782 3.856 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2ccc(C3CC3)cc2F)C[C@H]1c1ccccc1 ZINC000907750678 981215222 /nfs/dbraw/zinc/21/52/22/981215222.db2.gz RAYXKTMZXDLBBK-MGPUTAFESA-N -1 0 339.366 3.900 20 0 EHADRM CC[C@H]1CN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CCCO1 ZINC001595484530 981222863 /nfs/dbraw/zinc/22/28/63/981222863.db2.gz RTYVSYNFMXWYQJ-SMDDNHRTSA-N -1 0 332.227 3.620 20 0 EHADRM CC[C@@H]1c2ccsc2CCN1C(=O)Nc1cc(C)c(C(=O)[O-])cn1 ZINC001595504563 981278618 /nfs/dbraw/zinc/27/86/18/981278618.db2.gz MJAHFFMBAMWIAL-CYBMUJFWSA-N -1 0 345.424 3.691 20 0 EHADRM Cc1cc(C(=O)NCCCCC2(C(=O)[O-])CCC2)c(C)n1C(C)C ZINC000908343139 981306134 /nfs/dbraw/zinc/30/61/34/981306134.db2.gz NAEMWCVBAYBJRI-UHFFFAOYSA-N -1 0 334.460 3.841 20 0 EHADRM CC/C=C/CCS[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001595520784 981336751 /nfs/dbraw/zinc/33/67/51/981336751.db2.gz KBUCITYLLBZJKT-AAOUONPWSA-N -1 0 325.455 3.641 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000908699436 981341426 /nfs/dbraw/zinc/34/14/26/981341426.db2.gz PWMIQKPOMPAASH-SECBINFHSA-N -1 0 341.285 3.796 20 0 EHADRM CCCC(=O)Nc1cccc(N[C@@H](C)c2cncc(C(=O)[O-])c2)c1C ZINC001595531866 981368899 /nfs/dbraw/zinc/36/88/99/981368899.db2.gz USRAOTDBCWMBGA-ZDUSSCGKSA-N -1 0 341.411 4.000 20 0 EHADRM Cc1c(NC(=O)[C@H]2CC(C)(C)Oc3ccccc32)cccc1C(=O)[O-] ZINC000908845453 981376403 /nfs/dbraw/zinc/37/64/03/981376403.db2.gz WVXUBQIWIILNRT-HNNXBMFYSA-N -1 0 339.391 3.977 20 0 EHADRM CCC[C@@H](C(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)[O-])C(C)C ZINC001595535404 981377537 /nfs/dbraw/zinc/37/75/37/981377537.db2.gz BVCAVYBDBRPQPD-CRAIPNDOSA-N -1 0 339.863 3.914 20 0 EHADRM CCC[C@@H](C(=O)Nc1ccc(C)c(C)c1C(=O)[O-])c1ccccn1 ZINC001595536639 981384112 /nfs/dbraw/zinc/38/41/12/981384112.db2.gz CWWLOCAXEFNOMC-CQSZACIVSA-N -1 0 326.396 3.919 20 0 EHADRM CCc1c(C(=O)Nc2cc(C(=O)[O-])ccc2C)cnn1C1CCCC1 ZINC000909082587 981414517 /nfs/dbraw/zinc/41/45/17/981414517.db2.gz CWPVLRKNEHOLGG-UHFFFAOYSA-N -1 0 341.411 3.820 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2scnc2C2CCCC2)ccc1F ZINC000909107082 981418167 /nfs/dbraw/zinc/41/81/67/981418167.db2.gz ZOTNKQFWNYSDRR-UHFFFAOYSA-N -1 0 334.372 3.890 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1scnc1C1CCCC1 ZINC000909133768 981423863 /nfs/dbraw/zinc/42/38/63/981423863.db2.gz JMJQNXBLNXLREF-UHFFFAOYSA-N -1 0 344.436 3.771 20 0 EHADRM Cc1cc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)nn1[C@@H](C)C1CC1 ZINC000909273356 981456891 /nfs/dbraw/zinc/45/68/91/981456891.db2.gz ZYXWNRFQVIZMEE-JTQLQIEISA-N -1 0 347.802 3.766 20 0 EHADRM CCC[C@H](C)[C@H]1CCCN1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001595573382 981487971 /nfs/dbraw/zinc/48/79/71/981487971.db2.gz RHCPFAYNWJOLKC-WMLDXEAASA-N -1 0 332.444 3.538 20 0 EHADRM CCC[C@H](C)CCNS(=O)(=O)c1cc2ccccc2cc1C(=O)[O-] ZINC001595573994 981489946 /nfs/dbraw/zinc/48/99/46/981489946.db2.gz NKBIYVMWIAAFFB-ZDUSSCGKSA-N -1 0 349.452 3.643 20 0 EHADRM Cc1c2cccc(Cl)c2[nH]c1C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000909440324 981493550 /nfs/dbraw/zinc/49/35/50/981493550.db2.gz RMDGVTHUVDSWTE-UHFFFAOYSA-N -1 0 348.830 3.847 20 0 EHADRM CCC[C@H](C)c1cc(NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)n[nH]1 ZINC001595578422 981500113 /nfs/dbraw/zinc/50/01/13/981500113.db2.gz DGVQZNVILJMPJO-VIFPVBQESA-N -1 0 334.351 3.795 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3)o2)C1 ZINC000909493750 981510341 /nfs/dbraw/zinc/51/03/41/981510341.db2.gz VSMWZYZODUBWBM-OAHLLOKOSA-N -1 0 341.407 3.910 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cn1 ZINC000909523270 981529100 /nfs/dbraw/zinc/52/91/00/981529100.db2.gz LXIBMUCBDSEITA-ZDUSSCGKSA-N -1 0 326.396 3.721 20 0 EHADRM O=C([O-])C1(CNC(=O)[C@@H](c2ccncc2)C2CCCC2)CCCCC1 ZINC000909524229 981529956 /nfs/dbraw/zinc/52/99/56/981529956.db2.gz SGRTVHSADOSTTL-QGZVFWFLSA-N -1 0 344.455 3.507 20 0 EHADRM O=C([O-])C1(CNC(=O)[C@H](c2ccncc2)C2CCCC2)CCCCC1 ZINC000909524228 981530090 /nfs/dbraw/zinc/53/00/90/981530090.db2.gz SGRTVHSADOSTTL-KRWDZBQOSA-N -1 0 344.455 3.507 20 0 EHADRM CCCC(CCC)C(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC001595586762 981535243 /nfs/dbraw/zinc/53/52/43/981535243.db2.gz OJGXWPFOXRZMRH-UHFFFAOYSA-N -1 0 325.836 3.970 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N(C)[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000909548990 981538604 /nfs/dbraw/zinc/53/86/04/981538604.db2.gz KGBFGRNFHDJFOJ-OCCSQVGLSA-N -1 0 346.452 3.749 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000909557532 981541576 /nfs/dbraw/zinc/54/15/76/981541576.db2.gz KPWSKVCMTXBUHU-FEAKQIBJSA-N -1 0 325.364 3.604 20 0 EHADRM CCC[C@@H](CCc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001595590848 981546191 /nfs/dbraw/zinc/54/61/91/981546191.db2.gz DBRGMGDIYWVDFM-INIZCTEOSA-N -1 0 341.411 3.703 20 0 EHADRM Cc1csc(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)c1 ZINC000909628699 981556434 /nfs/dbraw/zinc/55/64/34/981556434.db2.gz MZDGXMGKAPMIJN-UONOGXRCSA-N -1 0 349.839 3.650 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)Nc1cc(Cl)ccc1OCC1CCC1 ZINC000909728788 981582589 /nfs/dbraw/zinc/58/25/89/981582589.db2.gz DCOWHRZBQROIGJ-JTQLQIEISA-N -1 0 325.792 3.568 20 0 EHADRM COc1cc(NC(=O)c2ccc(OC3CCC3)cc2)ccc1C(=O)[O-] ZINC000909731393 981584716 /nfs/dbraw/zinc/58/47/16/981584716.db2.gz UNRPNCPYYYNHHI-UHFFFAOYSA-N -1 0 341.363 3.577 20 0 EHADRM Cc1coc(C)c1C(=O)N[C@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC000909789178 981626603 /nfs/dbraw/zinc/62/66/03/981626603.db2.gz HYZGJXCFFQQOLW-NVXWUHKLSA-N -1 0 341.407 3.590 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2ccccc2OC2CC2)c1 ZINC000909832740 981650593 /nfs/dbraw/zinc/65/05/93/981650593.db2.gz GFPQQWKGWBHCOL-GFCCVEGCSA-N -1 0 325.364 3.668 20 0 EHADRM Cc1sccc1C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC000909848454 981676451 /nfs/dbraw/zinc/67/64/51/981676451.db2.gz STFOQLZDMBRHLA-UHFFFAOYSA-N -1 0 344.436 3.997 20 0 EHADRM CCC[C@@H]1[C@@H](C)CCCN1C(=O)Nc1cccc(C(=O)[O-])c1OC ZINC001595619405 981677558 /nfs/dbraw/zinc/67/75/58/981677558.db2.gz CPHFLTRUSPLFLU-SWLSCSKDSA-N -1 0 334.416 3.826 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1ccc(OCc2cccc(F)c2)cc1C ZINC001594759494 981687412 /nfs/dbraw/zinc/68/74/12/981687412.db2.gz JWVMXERGGKITTD-MRXNPFEDSA-N -1 0 345.370 3.762 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)Nc1ccccc1OCc1cccc(Cl)c1 ZINC001594761909 981694943 /nfs/dbraw/zinc/69/49/43/981694943.db2.gz JTEFRTBQJVHHAQ-AWEZNQCLSA-N -1 0 347.798 3.968 20 0 EHADRM C[C@H]1CN(C(=O)c2ccccc2CCC(=O)[O-])CCc2ccccc21 ZINC000909900304 981699289 /nfs/dbraw/zinc/69/92/89/981699289.db2.gz FVDFNMAJXIFURH-HNNXBMFYSA-N -1 0 337.419 3.506 20 0 EHADRM CCC[C@@H]1CCC[C@@H]1C(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001595621372 981699663 /nfs/dbraw/zinc/69/96/63/981699663.db2.gz HFVKKESDBZBXJQ-XOKHGSTOSA-N -1 0 343.423 3.761 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(C(F)F)cc2)[C@@H]2CCCC[C@@H]12 ZINC000909954456 981709614 /nfs/dbraw/zinc/70/96/14/981709614.db2.gz DAWJWFNMKSPJBA-RRFJBIMHSA-N -1 0 337.366 3.730 20 0 EHADRM CCC[C@H]1CCCC[C@H]1NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001595622462 981710335 /nfs/dbraw/zinc/71/03/35/981710335.db2.gz TZYDCMJTKLWGPL-WFXMFSGNSA-N -1 0 336.476 3.632 20 0 EHADRM O=C([O-])c1occc1CNC(=O)C1(Cc2cccs2)CCCCC1 ZINC000909961681 981715423 /nfs/dbraw/zinc/71/54/23/981715423.db2.gz HKMGYAGLETUOOE-UHFFFAOYSA-N -1 0 347.436 3.849 20 0 EHADRM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCc1ccoc1C(=O)[O-] ZINC000909962979 981716065 /nfs/dbraw/zinc/71/60/65/981716065.db2.gz SFZHOOWCNBORRY-ZDUSSCGKSA-N -1 0 344.411 3.673 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)OCC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC001594766662 981723720 /nfs/dbraw/zinc/72/37/20/981723720.db2.gz ZBEJZRUFUQCRIC-ZDUSSCGKSA-N -1 0 349.427 3.526 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1c(F)ccc(C)c1F)c1ccccc1 ZINC001594767525 981725599 /nfs/dbraw/zinc/72/55/99/981725599.db2.gz HUYSMIDJSZPHKB-AWEZNQCLSA-N -1 0 333.334 3.783 20 0 EHADRM CCC/C=C\C(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001595624134 981728956 /nfs/dbraw/zinc/72/89/56/981728956.db2.gz MQZPFKLRRVAOHB-PLNGDYQASA-N -1 0 326.352 3.867 20 0 EHADRM O=C([O-])C12CCC(C(=O)NCc3cccc(Cl)c3Cl)(CC1)C2 ZINC000910003441 981733499 /nfs/dbraw/zinc/73/34/99/981733499.db2.gz GSYYGRLCKYCSQD-UHFFFAOYSA-N -1 0 342.222 3.645 20 0 EHADRM CCCCC(=O)COc1c(Cl)cc(C(=O)[O-])cc1Br ZINC001595625990 981755396 /nfs/dbraw/zinc/75/53/96/981755396.db2.gz LUWUSMKFVFGRRQ-UHFFFAOYSA-N -1 0 349.608 3.939 20 0 EHADRM CCCC[C@H](C(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1)C(C)C ZINC001595627756 981776428 /nfs/dbraw/zinc/77/64/28/981776428.db2.gz RYMIJHCOTFHSSH-HNNXBMFYSA-N -1 0 335.400 3.572 20 0 EHADRM O=C([O-])C12CCC(C(=O)NCC(C3CCC3)C3CCC3)(CC1)CC2 ZINC000910192324 981777637 /nfs/dbraw/zinc/77/76/37/981777637.db2.gz YFSHUZQUIJUEJZ-UHFFFAOYSA-N -1 0 333.472 3.744 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)CCCOc1ccc(C)cc1 ZINC001594780699 981785134 /nfs/dbraw/zinc/78/51/34/981785134.db2.gz HHNPCONNQFTXET-FQEVSTJZSA-N -1 0 347.455 3.646 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)C1(c2ccc(C)cc2)CCC1 ZINC001594783492 981795265 /nfs/dbraw/zinc/79/52/65/981795265.db2.gz XVJKEQWGHUMIIZ-HXUWFJFHSA-N -1 0 343.467 3.909 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)o2)[C@H]2CCC[C@@H]21 ZINC000910238818 981804788 /nfs/dbraw/zinc/80/47/88/981804788.db2.gz GWFLJLBCJPTFHQ-OAGGEKHMSA-N -1 0 339.391 3.662 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3ccc(F)cc3s2)[C@H]2CCC[C@H]21 ZINC000910242741 981811496 /nfs/dbraw/zinc/81/14/96/981811496.db2.gz WNYWSDWQJNETRP-MJBXVCDLSA-N -1 0 347.411 3.756 20 0 EHADRM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000910250203 981823368 /nfs/dbraw/zinc/82/33/68/981823368.db2.gz CVUCUISOTBHKAD-NQQMIMOSSA-N -1 0 341.451 3.501 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(F)c(SC)c1 ZINC001594790776 981843291 /nfs/dbraw/zinc/84/32/91/981843291.db2.gz GXXDWEIOSWWKBI-KRWDZBQOSA-N -1 0 339.432 3.653 20 0 EHADRM CCC(C)(C)C(=O)COc1ccc(C(=O)[O-])cc1Br ZINC001594792126 981858921 /nfs/dbraw/zinc/85/89/21/981858921.db2.gz WJHSCPUWANAEAC-UHFFFAOYSA-N -1 0 329.190 3.531 20 0 EHADRM CCCC[C@H](NC(=O)[C@H](C)Oc1cc(C(C)C)ccc1C)C(=O)[O-] ZINC001595634157 981882987 /nfs/dbraw/zinc/88/29/87/981882987.db2.gz JJFWPYOMALTKNP-HOCLYGCPSA-N -1 0 335.444 3.645 20 0 EHADRM CC[C@H](NC(=O)c1ccccc1CCC(=O)[O-])c1ccccc1OC ZINC000910349406 981885294 /nfs/dbraw/zinc/88/52/94/981885294.db2.gz BBDYIZUFLOJXLY-KRWDZBQOSA-N -1 0 341.407 3.594 20 0 EHADRM CCC(C)(C)OCC(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC001594808687 981921276 /nfs/dbraw/zinc/92/12/76/981921276.db2.gz YWTAFOVBKCRMKV-QGZVFWFLSA-N -1 0 343.423 3.677 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)Cc2cccc(C3CC3)c2)c2ccccc21 ZINC000910478678 981954115 /nfs/dbraw/zinc/95/41/15/981954115.db2.gz LRUMUFGPACHJND-MOPGFXCFSA-N -1 0 335.403 3.536 20 0 EHADRM C[C@@H]1CCN(C(=O)CCc2ccc(C(=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000910545492 981988428 /nfs/dbraw/zinc/98/84/28/981988428.db2.gz WFMQYRGKXYFELL-FOIQADDNSA-N -1 0 337.419 3.927 20 0 EHADRM CCCC[C@H](OC(=O)[C@@H](C)Cc1cncc2ccccc21)C(=O)[O-] ZINC001595646787 982001301 /nfs/dbraw/zinc/00/13/01/982001301.db2.gz UTCDSIXBZIKZDB-GUYCJALGSA-N -1 0 329.396 3.600 20 0 EHADRM CCCC[C@H](OC(=O)c1c(F)ccc(C)c1Br)C(=O)[O-] ZINC001595650359 982008877 /nfs/dbraw/zinc/00/88/77/982008877.db2.gz GQCVCXNEBHNQFZ-JTQLQIEISA-N -1 0 347.180 3.697 20 0 EHADRM CCCC[C@H](OC(=O)c1sc2ncccc2c1Cl)C(=O)[O-] ZINC001595651081 982016517 /nfs/dbraw/zinc/01/65/17/982016517.db2.gz BUSBEYFKWCMUAN-VIFPVBQESA-N -1 0 327.789 3.750 20 0 EHADRM CCCC[C@@H](S[C@@H](C)C(=O)Nc1ccc(C)c(F)c1)C(=O)[O-] ZINC001595651854 982026952 /nfs/dbraw/zinc/02/69/52/982026952.db2.gz LOVOKUMEBUMEIK-SMDDNHRTSA-N -1 0 327.421 3.838 20 0 EHADRM CCCCN(C(=O)c1cc(C(=O)[O-])ccn1)[C@H](C)c1ccc(C)o1 ZINC000910624679 982032819 /nfs/dbraw/zinc/03/28/19/982032819.db2.gz YEHNLMLUYMZPRQ-CYBMUJFWSA-N -1 0 330.384 3.685 20 0 EHADRM CCCC[C@H](OC(=O)c1csc(-c2cccs2)n1)C(=O)[O-] ZINC001595652316 982033524 /nfs/dbraw/zinc/03/35/24/982033524.db2.gz SGTPSCNUZULIHA-JTQLQIEISA-N -1 0 325.411 3.672 20 0 EHADRM CCCC[C@@H](S[C@H]1CCCN(c2ccc(C)cc2)C1=O)C(=O)[O-] ZINC001595654460 982040912 /nfs/dbraw/zinc/04/09/12/982040912.db2.gz CGKBHFUAKYSGNE-JKSUJKDBSA-N -1 0 335.469 3.867 20 0 EHADRM CCCC[C@H](S[C@@H]1CCCN(c2ccc(C)cc2)C1=O)C(=O)[O-] ZINC001595654454 982041098 /nfs/dbraw/zinc/04/10/98/982041098.db2.gz CGKBHFUAKYSGNE-CVEARBPZSA-N -1 0 335.469 3.867 20 0 EHADRM CC(C)CCn1ncc(NC(=O)c2cc(C(=O)[O-])co2)c1C(C)C ZINC000910654805 982042321 /nfs/dbraw/zinc/04/23/21/982042321.db2.gz AGWMTIBQZIKLRT-UHFFFAOYSA-N -1 0 333.388 3.596 20 0 EHADRM CC[C@@](C)(NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC001594837186 982042759 /nfs/dbraw/zinc/04/27/59/982042759.db2.gz NHEHMBUHKZSJMB-SXAWMYDMSA-N -1 0 347.411 3.937 20 0 EHADRM CC[C@](C)(NC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)C1CC1 ZINC001594841515 982055464 /nfs/dbraw/zinc/05/54/64/982055464.db2.gz KAIXMHOPEZSZIC-INIZCTEOSA-N -1 0 340.807 3.504 20 0 EHADRM CCCCC1CCC(C(=O)N[C@@](C)(CC(=O)[O-])c2ccncc2)CC1 ZINC001595660536 982071406 /nfs/dbraw/zinc/07/14/06/982071406.db2.gz IDOWSMYOLVGGRD-PMTKGXAQSA-N -1 0 346.471 3.884 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)[C@@H]2CCC(C)(C)C2)nc1C(=O)[O-] ZINC000910720409 982083095 /nfs/dbraw/zinc/08/30/95/982083095.db2.gz GXYZOJUARAEMCO-VXGBXAGGSA-N -1 0 336.457 3.640 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)/C=C\c2ccccc2)nc1C(=O)[O-] ZINC000910722797 982085224 /nfs/dbraw/zinc/08/52/24/982085224.db2.gz MVIRLMMOXXPGTP-CFYYFVFUSA-N -1 0 342.420 3.527 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)/C=C/c2ccccc2)nc1C(=O)[O-] ZINC000910722800 982085435 /nfs/dbraw/zinc/08/54/35/982085435.db2.gz MVIRLMMOXXPGTP-HBWSCVEGSA-N -1 0 342.420 3.527 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910730905 982093550 /nfs/dbraw/zinc/09/35/50/982093550.db2.gz DRRPRSJJCNALTD-VIFPVBQESA-N -1 0 348.399 3.675 20 0 EHADRM O=C([O-])c1nc(NC(=O)[C@@H]2CSc3ccccc32)sc1C1CC1 ZINC000910732401 982094447 /nfs/dbraw/zinc/09/44/47/982094447.db2.gz AMGQUZFOSSPECF-SNVBAGLBSA-N -1 0 346.433 3.547 20 0 EHADRM Cc1cc(Cl)cc(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)c1 ZINC000910733704 982095399 /nfs/dbraw/zinc/09/53/99/982095399.db2.gz LZHXCEJYPTWSGW-UHFFFAOYSA-N -1 0 336.800 3.933 20 0 EHADRM CSc1ccsc1C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910735245 982098082 /nfs/dbraw/zinc/09/80/82/982098082.db2.gz ZHNVGJOZXQYZQF-UHFFFAOYSA-N -1 0 340.451 3.754 20 0 EHADRM O=C([O-])c1nc(NC(=O)[C@H]2Cc3ccc(Cl)cc32)sc1C1CC1 ZINC000910741068 982101888 /nfs/dbraw/zinc/10/18/88/982101888.db2.gz DVRAKAYCMPJHRE-NSHDSACASA-N -1 0 348.811 3.651 20 0 EHADRM O=C([O-])c1nc(NC(=O)[C@H]2CCCC[C@H]2C2CC2)sc1C1CC1 ZINC000910740832 982102577 /nfs/dbraw/zinc/10/25/77/982102577.db2.gz BXFIYGNJRIRKBN-RYUDHWBXSA-N -1 0 334.441 3.874 20 0 EHADRM CCCCC[C@H](NC(=O)[C@H](C)Oc1cccc(C(C)C)c1)C(=O)[O-] ZINC001595668906 982111141 /nfs/dbraw/zinc/11/11/41/982111141.db2.gz DLPGHFXJGRVBAN-YOEHRIQHSA-N -1 0 335.444 3.727 20 0 EHADRM CC/C(C)=C/C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC001594860667 982140636 /nfs/dbraw/zinc/14/06/36/982140636.db2.gz NPSUTCOPFFJJQI-PMXLPMHFSA-N -1 0 325.408 3.556 20 0 EHADRM C[C@@H](c1ccc(C(=O)NCC(C)(C)CC(=O)[O-])cc1)C(F)(F)F ZINC000910829478 982142474 /nfs/dbraw/zinc/14/24/74/982142474.db2.gz MVXIINNRZLODQU-JTQLQIEISA-N -1 0 331.334 3.583 20 0 EHADRM COC1CCC(CC(=O)Nc2ccc(SC)c(C(=O)[O-])c2)CC1 ZINC000910947316 982172409 /nfs/dbraw/zinc/17/24/09/982172409.db2.gz CWSVMFGGZYGZGD-UHFFFAOYSA-N -1 0 337.441 3.641 20 0 EHADRM Cc1cc(F)ccc1[C@@H](C)NC(=O)c1ccccc1CCC(=O)[O-] ZINC000910987413 982184512 /nfs/dbraw/zinc/18/45/12/982184512.db2.gz MLOOLIFCBAETBZ-CYBMUJFWSA-N -1 0 329.371 3.642 20 0 EHADRM CCCCCC[C@H](CC)C(=O)N1[C@H]2C[C@H](C(=O)[O-])O[C@H]2CC[C@H]1C ZINC001595697954 982247246 /nfs/dbraw/zinc/24/72/46/982247246.db2.gz ODDHIQMIEPRKHT-JSRQGNBESA-N -1 0 339.476 3.605 20 0 EHADRM CCCCCC[C@@H](CC)CN(C)C(=O)Nc1nn(C)cc1C(=O)[O-] ZINC001595699548 982259126 /nfs/dbraw/zinc/25/91/26/982259126.db2.gz ZLVYUDDROJQMGZ-CYBMUJFWSA-N -1 0 338.452 3.579 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)CCCc1ccc(CC(C)C)cc1)C(=O)[O-] ZINC001594886711 982266451 /nfs/dbraw/zinc/26/64/51/982266451.db2.gz BMXKOYBOEGRQBH-DNVCBOLYSA-N -1 0 333.472 3.823 20 0 EHADRM CCCCCCN(Cc1ccco1)C(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001595708836 982287556 /nfs/dbraw/zinc/28/75/56/982287556.db2.gz IHDKAWLVYDBFAF-UHFFFAOYSA-N -1 0 344.411 3.524 20 0 EHADRM CCN(CC)c1ccc(NC(=O)c2ccccc2CCC(=O)[O-])cc1 ZINC000911212911 982288539 /nfs/dbraw/zinc/28/85/39/982288539.db2.gz SXSPAUYKQQVARP-UHFFFAOYSA-N -1 0 340.423 3.802 20 0 EHADRM CCCCCCO[C@H](C)C(=O)N1CCCc2ccc(C)c(C(=O)[O-])c21 ZINC001595711107 982297788 /nfs/dbraw/zinc/29/77/88/982297788.db2.gz OZDDFHWDPXAWPV-OAHLLOKOSA-N -1 0 347.455 3.958 20 0 EHADRM CCCCCCOCC(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001595711259 982298398 /nfs/dbraw/zinc/29/83/98/982298398.db2.gz SRNHYUYSARQJBT-QGZVFWFLSA-N -1 0 334.412 3.902 20 0 EHADRM O=C([O-])c1cccc(CC(=O)Nc2cccc(N3CCCCC3)c2)c1 ZINC000911247525 982311272 /nfs/dbraw/zinc/31/12/72/982311272.db2.gz HREWCSJNIPYAAM-UHFFFAOYSA-N -1 0 338.407 3.556 20 0 EHADRM CCCCCCOc1ccc(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)cc1 ZINC001595714819 982311311 /nfs/dbraw/zinc/31/13/11/982311311.db2.gz HMJLBRLKZUIZKJ-MRXNPFEDSA-N -1 0 331.412 3.549 20 0 EHADRM CCCCN(C(=O)Nc1cccc(C(=O)[O-])c1)[C@@H]1CCCC[C@H]1OC ZINC001595731666 982362623 /nfs/dbraw/zinc/36/26/23/982362623.db2.gz CQHNZDVSCKCMLJ-IAGOWNOFSA-N -1 0 348.443 3.976 20 0 EHADRM CCCCN(C(=O)Nc1c(C(=O)[O-])cnn1C)[C@@H](C)c1ccccc1 ZINC001595732410 982368762 /nfs/dbraw/zinc/36/87/62/982368762.db2.gz YFYQQSHCXBOPBE-ZDUSSCGKSA-N -1 0 344.415 3.514 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc(NC2CCCC2)c1 ZINC000911367821 982385443 /nfs/dbraw/zinc/38/54/43/982385443.db2.gz VWGLOKOLTGZECK-DLBZAZTESA-N -1 0 330.428 3.871 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1ccc(C)c(C(=O)[O-])c1)C(F)(F)F ZINC001594908721 982401658 /nfs/dbraw/zinc/40/16/58/982401658.db2.gz JIQVQFPHXOYPFO-UFBFGSQYSA-N -1 0 332.322 3.792 20 0 EHADRM O=C([O-])CC1(CC(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)CCCC1 ZINC000911391118 982414904 /nfs/dbraw/zinc/41/49/04/982414904.db2.gz UZKBEELVKALSQL-STQMWFEESA-N -1 0 349.393 3.897 20 0 EHADRM Cc1cc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c(C)c(C)c1O ZINC000911427692 982427853 /nfs/dbraw/zinc/42/78/53/982427853.db2.gz LGPCIDIOCBJRTR-UHFFFAOYSA-N -1 0 331.412 3.681 20 0 EHADRM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1cc(C(=O)[O-])co1 ZINC000911494684 982455033 /nfs/dbraw/zinc/45/50/33/982455033.db2.gz WFSDUXGVKFUHHO-CYBMUJFWSA-N -1 0 342.395 3.917 20 0 EHADRM Cc1ccc(-c2cccnc2)cc1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000911512268 982466922 /nfs/dbraw/zinc/46/69/22/982466922.db2.gz OJKPXQXWYULMIM-HZPDHXFCSA-N -1 0 338.407 3.887 20 0 EHADRM CCCCNc1nnc(SCc2ccsc2C(=O)[O-])s1 ZINC001595763200 982469832 /nfs/dbraw/zinc/46/98/32/982469832.db2.gz CJTQHCSUMYRRQO-UHFFFAOYSA-N -1 0 329.472 3.802 20 0 EHADRM CCCCOc1ccc(NC(=O)N[C@@](C)(CC(=O)[O-])C2CC2)c(C)c1 ZINC001595775822 982541862 /nfs/dbraw/zinc/54/18/62/982541862.db2.gz YUVDCHUZNHUSCK-IBGZPJMESA-N -1 0 348.443 3.939 20 0 EHADRM CC[C@H](C)[C@@H](Sc1nnc(-c2ccccc2Cl)n1C)C(=O)[O-] ZINC001594928820 982543417 /nfs/dbraw/zinc/54/34/17/982543417.db2.gz NLEURMOFRFFRKX-JOYOIKCWSA-N -1 0 339.848 3.727 20 0 EHADRM CCCCc1ccc(OS(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1 ZINC001595795817 982599038 /nfs/dbraw/zinc/59/90/38/982599038.db2.gz AWTYPTVKUQDBDU-UHFFFAOYSA-N -1 0 348.420 3.804 20 0 EHADRM CCCCc1nc(C)c(CC(=O)Nc2ccc(C(=O)[O-])cc2)s1 ZINC001595797879 982608978 /nfs/dbraw/zinc/60/89/78/982608978.db2.gz VLJGLJPSAFUKFH-UHFFFAOYSA-N -1 0 332.425 3.674 20 0 EHADRM CCCCc1oc2ccccc2c1CN(C)c1cnc(C(=O)[O-])cn1 ZINC001595802371 982619187 /nfs/dbraw/zinc/61/91/87/982619187.db2.gz JSIZZUWYZPIFHN-UHFFFAOYSA-N -1 0 339.395 3.900 20 0 EHADRM CC(C)Oc1c(NC(=O)CO[C@H]2CCC[C@@H](C)C2)cccc1C(=O)[O-] ZINC000911738590 982621385 /nfs/dbraw/zinc/62/13/85/982621385.db2.gz FGRNOVCYUYYLIJ-KGLIPLIRSA-N -1 0 349.427 3.706 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC000911738827 982621465 /nfs/dbraw/zinc/62/14/65/982621465.db2.gz JBGXDZDRUULUCG-INIZCTEOSA-N -1 0 349.427 3.848 20 0 EHADRM CCCN(C(=O)/C=C\c1ccccc1O[C@H](C)CC)[C@@H](C)C(=O)[O-] ZINC001595816372 982672061 /nfs/dbraw/zinc/67/20/61/982672061.db2.gz HXBZFFFPZSXEEF-HRFGFKIASA-N -1 0 333.428 3.589 20 0 EHADRM CCCN(C(=O)CCc1c(Cl)cccc1Cl)[C@@H](C)C(=O)[O-] ZINC001595817540 982681381 /nfs/dbraw/zinc/68/13/81/982681381.db2.gz WLHPERNCLAZBOS-JTQLQIEISA-N -1 0 332.227 3.638 20 0 EHADRM CC[C@H](C)CCC(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001594957104 982690837 /nfs/dbraw/zinc/69/08/37/982690837.db2.gz JKXXGQOKPDEDOP-LBPRGKRZSA-N -1 0 346.452 3.951 20 0 EHADRM CC[C@@H](C)CCCCC(=O)N1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001594959050 982703052 /nfs/dbraw/zinc/70/30/52/982703052.db2.gz JLFVBSFVEHVLPW-CQSZACIVSA-N -1 0 333.428 3.712 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@@]1(C)CCOc2ccccc21 ZINC000923076605 982708908 /nfs/dbraw/zinc/70/89/08/982708908.db2.gz SXUPCJUXMJBGLS-FQEVSTJZSA-N -1 0 339.391 3.681 20 0 EHADRM CCCN(C(=O)c1nc(-c2ccccc2)oc1C1CC1)[C@H](C)C(=O)[O-] ZINC001595831704 982723166 /nfs/dbraw/zinc/72/31/66/982723166.db2.gz PUVQWQWZCOYWAN-GFCCVEGCSA-N -1 0 342.395 3.544 20 0 EHADRM CC[C@@H](C)CSCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC001594967057 982725280 /nfs/dbraw/zinc/72/52/80/982725280.db2.gz ISPGXAQSVXCWRI-SECBINFHSA-N -1 0 327.471 3.653 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)NCCc1ccccc1C(=O)[O-] ZINC000923118731 982737564 /nfs/dbraw/zinc/73/75/64/982737564.db2.gz FYZWTUXTIBRKLV-OAHLLOKOSA-N -1 0 325.408 3.546 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)CCCc1ccc2c(c1)CCCC2 ZINC001594971057 982739792 /nfs/dbraw/zinc/73/97/92/982739792.db2.gz GFRFYNXCRWLHDI-OAHLLOKOSA-N -1 0 331.456 3.600 20 0 EHADRM CCCN(C)c1ccccc1NCc1cc(C(=O)[O-])c2n1CCCC2 ZINC001595840094 982759151 /nfs/dbraw/zinc/75/91/51/982759151.db2.gz RJTPMHBGELRPGZ-UHFFFAOYSA-N -1 0 341.455 3.981 20 0 EHADRM CCCN(CC)c1ccc(C(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])cc1 ZINC001595869179 982845170 /nfs/dbraw/zinc/84/51/70/982845170.db2.gz NRYZUBDBRRJSJB-PXNSSMCTSA-N -1 0 346.471 3.686 20 0 EHADRM CCCN(CC)c1ccc(C(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])cc1 ZINC001595869183 982845271 /nfs/dbraw/zinc/84/52/71/982845271.db2.gz NRYZUBDBRRJSJB-YLJYHZDGSA-N -1 0 346.471 3.686 20 0 EHADRM CCCN(CCC)c1ccc(NC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC001595880078 982886157 /nfs/dbraw/zinc/88/61/57/982886157.db2.gz WLWLANIBDITTQO-HNNXBMFYSA-N -1 0 347.459 3.642 20 0 EHADRM CCCN(CCc1cccc(F)c1)C(=O)c1ccsc1C(=O)[O-] ZINC001595883858 982903723 /nfs/dbraw/zinc/90/37/23/982903723.db2.gz DMBXEVIXSQALLR-UHFFFAOYSA-N -1 0 335.400 3.680 20 0 EHADRM CC[C@H](C)Oc1ccc(-c2noc(-c3cc(C(=O)[O-])ccn3)n2)cc1 ZINC001594999656 982909335 /nfs/dbraw/zinc/90/93/35/982909335.db2.gz NBUHBLDUGVGREF-NSHDSACASA-N -1 0 339.351 3.674 20 0 EHADRM CC[C@@H](C)Oc1cc(NC[C@@H](CC2CCCC2)C(=O)[O-])nc(C)n1 ZINC001595000010 982910964 /nfs/dbraw/zinc/91/09/64/982910964.db2.gz RNUCRZSRMLFITR-IUODEOHRSA-N -1 0 335.448 3.655 20 0 EHADRM CC[C@H](C)Oc1cccc(NCc2[nH]cc(C(=O)[O-])c2C2CC2)n1 ZINC001595007424 982924673 /nfs/dbraw/zinc/92/46/73/982924673.db2.gz BDVOSZPGSUAHJK-NSHDSACASA-N -1 0 329.400 3.775 20 0 EHADRM CC[C@@H](C)c1ccc(C(=O)Nc2c(C)nn(CCC(=O)[O-])c2C)cc1 ZINC001595009943 982937902 /nfs/dbraw/zinc/93/79/02/982937902.db2.gz LSGCDEQXRDMAMH-GFCCVEGCSA-N -1 0 343.427 3.740 20 0 EHADRM CC[C@@H](C)c1cccc(NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1 ZINC001595014246 982951011 /nfs/dbraw/zinc/95/10/11/982951011.db2.gz PTKREZYZQBATJL-OAUYIBNBSA-N -1 0 330.428 3.775 20 0 EHADRM CCCN(Cc1ccccc1F)C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001595900227 982951661 /nfs/dbraw/zinc/95/16/61/982951661.db2.gz VQSHBSFSHYFSSD-FPLPWBNLSA-N -1 0 331.343 3.569 20 0 EHADRM CC[C@H](C)c1nc(-c2cn([C@H]3CCC[C@@H](C(=O)[O-])C3)nn2)cs1 ZINC001595014587 982953714 /nfs/dbraw/zinc/95/37/14/982953714.db2.gz AKKYMUMVZPNDHH-TUAOUCFPSA-N -1 0 334.445 3.731 20 0 EHADRM CCCNc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC001595936622 983076999 /nfs/dbraw/zinc/07/69/99/983076999.db2.gz JGGJMNFHVHDVAC-UHFFFAOYSA-N -1 0 341.411 3.837 20 0 EHADRM CCCOc1cc(C)ccc1CNC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001595950044 983118648 /nfs/dbraw/zinc/11/86/48/983118648.db2.gz IUWGFDJXFAWWAG-UHFFFAOYSA-N -1 0 342.395 3.804 20 0 EHADRM CCCc1c(C(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)[nH]c(C)c1C(=O)[O-] ZINC001596031144 983301827 /nfs/dbraw/zinc/30/18/27/983301827.db2.gz RTUUDPOMVGGGCS-KZULUSFZSA-N -1 0 340.423 3.807 20 0 EHADRM CCCc1c(C(=O)N(Cc2ccccc2)OCC)[nH]c(C)c1C(=O)[O-] ZINC001596031386 983303616 /nfs/dbraw/zinc/30/36/16/983303616.db2.gz XKOPQNVDIFRABQ-UHFFFAOYSA-N -1 0 344.411 3.568 20 0 EHADRM CCCc1c(C(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)[nH]c(C)c1C(=O)[O-] ZINC001596032361 983309365 /nfs/dbraw/zinc/30/93/65/983309365.db2.gz UHDZIVUSTKYLOZ-CWTRNNRKSA-N -1 0 332.444 3.626 20 0 EHADRM CCCc1c(C(=O)Nc2cccc(N(C)C)c2C)[nH]c(C)c1C(=O)[O-] ZINC001596045309 983332206 /nfs/dbraw/zinc/33/22/06/983332206.db2.gz JNONAGJTDUBVOC-UHFFFAOYSA-N -1 0 343.427 3.601 20 0 EHADRM CCCc1c(N[C@H](C)[C@@H]2C[C@@H]2C(=O)[O-])cnn1-c1ccc(C)cc1 ZINC001596050755 983349126 /nfs/dbraw/zinc/34/91/26/983349126.db2.gz LGMAFVAWSJBCAU-KBMXLJTQSA-N -1 0 327.428 3.654 20 0 EHADRM CCCc1cc(=O)oc2cc(OCc3ccoc3C(=O)[O-])ccc12 ZINC001596052628 983352888 /nfs/dbraw/zinc/35/28/88/983352888.db2.gz FYNWOIVATLFDTC-UHFFFAOYSA-N -1 0 328.320 3.616 20 0 EHADRM CCCc1cc(C(=O)N[C@H](C(=O)[O-])c2cccc(O)c2)ccc1Cl ZINC001596053253 983354144 /nfs/dbraw/zinc/35/41/44/983354144.db2.gz NJAVJXJAHBIBGU-INIZCTEOSA-N -1 0 347.798 3.554 20 0 EHADRM CCCc1ccc(CCCC(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])cc1 ZINC001596062550 983371459 /nfs/dbraw/zinc/37/14/59/983371459.db2.gz FXIGQRSBALWCCO-KRWDZBQOSA-N -1 0 333.472 3.967 20 0 EHADRM CCCc1nsc(N[C@@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])n1 ZINC001596102574 983427453 /nfs/dbraw/zinc/42/74/53/983427453.db2.gz HMJGVDHRZPAHHU-ZFWWWQNUSA-N -1 0 345.468 3.866 20 0 EHADRM CCCn1c(C(=O)OCc2nc(C(=O)[O-])cs2)cc2ccccc21 ZINC001596107276 983431645 /nfs/dbraw/zinc/43/16/45/983431645.db2.gz CXRSWVSODJWARR-UHFFFAOYSA-N -1 0 344.392 3.563 20 0 EHADRM CCN(C(=O)COC[C@H](C)c1ccccc1)c1ccccc1C(=O)[O-] ZINC001596145378 983500752 /nfs/dbraw/zinc/50/07/52/983500752.db2.gz HMQXIERNLLOSGC-HNNXBMFYSA-N -1 0 341.407 3.558 20 0 EHADRM CCN(C(=O)Cc1coc2c1ccc(Cl)c2C)C(C)(C)C(=O)[O-] ZINC001596147908 983503184 /nfs/dbraw/zinc/50/31/84/983503184.db2.gz JOCDMEUHCQBGIO-UHFFFAOYSA-N -1 0 337.803 3.649 20 0 EHADRM CCN(C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)C1CCCC1 ZINC001596151385 983512312 /nfs/dbraw/zinc/51/23/12/983512312.db2.gz WFZIIVMSRREIAP-UHFFFAOYSA-N -1 0 328.771 3.974 20 0 EHADRM CCN(C(=O)c1ccccc1OC1CC1)c1ccccc1C(=O)[O-] ZINC001596171035 983536853 /nfs/dbraw/zinc/53/68/53/983536853.db2.gz SQNJFQLNKOTTNE-UHFFFAOYSA-N -1 0 325.364 3.593 20 0 EHADRM CCN(C(=O)c1csc(C(F)(F)F)n1)c1ccccc1C(=O)[O-] ZINC001596172738 983537670 /nfs/dbraw/zinc/53/76/70/983537670.db2.gz GCQGVDRCQGHJHC-UHFFFAOYSA-N -1 0 344.314 3.527 20 0 EHADRM CCN(C(=O)c1cncc(-c2ccc(Cl)cc2)c1)C(C)(C)C(=O)[O-] ZINC001596172732 983537759 /nfs/dbraw/zinc/53/77/59/983537759.db2.gz FWCZNWJKPUXXHF-UHFFFAOYSA-N -1 0 346.814 3.727 20 0 EHADRM CCN(CC)C(=S)Sc1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001596253549 983657870 /nfs/dbraw/zinc/65/78/70/983657870.db2.gz AJXJCXPLOLAVSZ-UHFFFAOYSA-N -1 0 338.376 3.517 20 0 EHADRM CCN(Cc1ncc(C(=O)[O-])s1)Cc1ccc(C(F)(F)F)cc1 ZINC001596357568 983828528 /nfs/dbraw/zinc/82/85/28/983828528.db2.gz IRSCUPUNUFLTMX-UHFFFAOYSA-N -1 0 344.358 3.882 20 0 EHADRM CCN(Cc1csc(CCc2ccccc2)n1)C(C)(C)C(=O)[O-] ZINC001596378441 983894902 /nfs/dbraw/zinc/89/49/02/983894902.db2.gz UAOXYUSDUPMGSY-UHFFFAOYSA-N -1 0 332.469 3.613 20 0 EHADRM CCN(c1ccc(C(=O)NCC2(CC(=O)[O-])CCCC2)cc1)C(C)C ZINC001596382944 983906379 /nfs/dbraw/zinc/90/63/79/983906379.db2.gz IYMZPICMQOBNHC-UHFFFAOYSA-N -1 0 346.471 3.686 20 0 EHADRM CCN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1ccc(/C=C/C(=O)[O-])o1 ZINC001596395015 983931613 /nfs/dbraw/zinc/93/16/13/983931613.db2.gz QZDDGMVKSDTCRA-WHWKNOJMSA-N -1 0 346.770 3.617 20 0 EHADRM C=C/C=C/CC(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001588719946 983964057 /nfs/dbraw/zinc/96/40/57/983964057.db2.gz HQHKBYRKIQVBND-ONEGZZNKSA-N -1 0 325.817 3.978 20 0 EHADRM CCNC(=O)Nc1cccc(N[C@H](C(=O)[O-])c2ccc(F)cc2)c1C ZINC001596473557 984202333 /nfs/dbraw/zinc/20/23/33/984202333.db2.gz XPJGBGOUDSRFIO-INIZCTEOSA-N -1 0 345.374 3.513 20 0 EHADRM CCNc1ccccc1CN1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001596504181 984258265 /nfs/dbraw/zinc/25/82/65/984258265.db2.gz JOHLBVWQBRZAQE-HNNXBMFYSA-N -1 0 345.468 3.919 20 0 EHADRM CCOC(=O)[C@@H](CC)SCc1ccc(C(=O)[O-])c2cccnc12 ZINC001596528831 984351679 /nfs/dbraw/zinc/35/16/79/984351679.db2.gz ZQUKEKLPJCRLIB-CQSZACIVSA-N -1 0 333.409 3.508 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccnn2C2CCCC2)c(C)c1 ZINC000066248777 1015030686 /nfs/dbraw/zinc/03/06/86/1015030686.db2.gz CTCISRMAORJJSL-UHFFFAOYSA-N -1 0 333.457 3.724 20 0 EHADRM C=COc1ccc(NC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC001588914425 984558358 /nfs/dbraw/zinc/55/83/58/984558358.db2.gz WDCJVDGDSYBWFC-CXAGYDPISA-N -1 0 340.379 3.792 20 0 EHADRM C/C(=C\C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)c1ccccc1Cl ZINC001588940064 984632746 /nfs/dbraw/zinc/63/27/46/984632746.db2.gz XIQLOOUDYUSOIH-PCRHJMFASA-N -1 0 347.842 3.847 20 0 EHADRM C/C(=C\C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1)c1ccc(F)cc1 ZINC001588945923 984655236 /nfs/dbraw/zinc/65/52/36/984655236.db2.gz OJEQYQKWAIDJCM-CSKARUKUSA-N -1 0 348.399 3.686 20 0 EHADRM C/C(=C\C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1)c1ccccc1 ZINC001588945985 984655335 /nfs/dbraw/zinc/65/53/35/984655335.db2.gz ONEZBGNKGKPCHM-PKNBQFBNSA-N -1 0 330.409 3.547 20 0 EHADRM C/C(=C/C(=O)OCc1cccc(C(=O)[O-])n1)c1ccccc1Cl ZINC001588953262 984693684 /nfs/dbraw/zinc/69/36/84/984693684.db2.gz MPYCNGQEIAQFGW-LUAWRHEFSA-N -1 0 331.755 3.580 20 0 EHADRM C/C(=C/C1CCC(C)CC1)C(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC001588956404 984703786 /nfs/dbraw/zinc/70/37/86/984703786.db2.gz NUYLPGMIVNHPHB-NXIBPANPSA-N -1 0 333.403 3.840 20 0 EHADRM C/C(=C\CN1CCCN(Cc2ccccc2)c2ccccc21)C(=O)[O-] ZINC001588959049 984719174 /nfs/dbraw/zinc/71/91/74/984719174.db2.gz FJBSVLFZLBGMFX-SFQUDFHCSA-N -1 0 336.435 3.934 20 0 EHADRM C[C@H](OC(=O)[C@H]1CCN(c2ccccc2)C1)c1ccc(C(=O)[O-])cc1 ZINC001599903725 984893147 /nfs/dbraw/zinc/89/31/47/984893147.db2.gz DDJRYOBSKDNQGQ-YOEHRIQHSA-N -1 0 339.391 3.516 20 0 EHADRM C[C@H](OC(=O)c1ccc(C(=O)[O-])s1)c1ccc(C(F)(F)F)nc1 ZINC001599904411 984904056 /nfs/dbraw/zinc/90/40/56/984904056.db2.gz XKGCLURMAJKLHF-ZETCQYMHSA-N -1 0 345.298 3.778 20 0 EHADRM C/C(=C\c1ccccc1Cl)C(=O)NCCc1ccccc1C(=O)[O-] ZINC001589003498 984953166 /nfs/dbraw/zinc/95/31/66/984953166.db2.gz BSPMVUFAZDATHP-OUKQBFOZSA-N -1 0 343.810 3.800 20 0 EHADRM C[C@H]1CC[C@@](NCc2nnc(-c3ccc(Cl)cc3)o2)(C(=O)[O-])CC1 ZINC001599909554 984967154 /nfs/dbraw/zinc/96/71/54/984967154.db2.gz RAJHTKAFNNMDGF-QQVUYCAZSA-N -1 0 349.818 3.513 20 0 EHADRM C/C(=C\c1ccncc1)C(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-] ZINC001589010311 984977039 /nfs/dbraw/zinc/97/70/39/984977039.db2.gz IMZZGZDDJFQGMM-CMDGGOBGSA-N -1 0 334.734 3.614 20 0 EHADRM C/C(=C\c1ccncc1)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001589010812 984983082 /nfs/dbraw/zinc/98/30/82/984983082.db2.gz KAKXIRVUOCTVBR-OUKQBFOZSA-N -1 0 332.359 3.975 20 0 EHADRM C[C@H]1CN(C(=O)/C=C/c2ccc(F)c3ccccc23)C[C@]1(C)C(=O)[O-] ZINC001599915540 985049665 /nfs/dbraw/zinc/04/96/65/985049665.db2.gz KHLDHYFKJATKGP-RLOIICLYSA-N -1 0 341.382 3.561 20 0 EHADRM CC(=O)CC(C)(C)CC(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC001589030124 985058426 /nfs/dbraw/zinc/05/84/26/985058426.db2.gz QXSOEUCWQCVGPZ-UHFFFAOYSA-N -1 0 327.380 3.872 20 0 EHADRM CC(=O)CCCCCCC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001589035159 985081013 /nfs/dbraw/zinc/08/10/13/985081013.db2.gz MPBCOABAVDECAF-UHFFFAOYSA-N -1 0 330.384 3.734 20 0 EHADRM CO[C@@H](C)c1nc(=NC(=O)[C@@H](C)c2cccc(CC(C)C)c2)s[n-]1 ZINC000510103559 1015104841 /nfs/dbraw/zinc/10/48/41/1015104841.db2.gz RAXIPOVCNGFRKI-STQMWFEESA-N -1 0 347.484 3.608 20 0 EHADRM CCO[C@@H](C)C(=O)Nc1c(-c2ccc(C)cc2)csc1C(=O)[O-] ZINC001596771614 985191918 /nfs/dbraw/zinc/19/19/18/985191918.db2.gz AHJWGQHYQFTWMZ-NSHDSACASA-N -1 0 333.409 3.785 20 0 EHADRM CCO[C@H](CC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)C(C)C ZINC001596782265 985238852 /nfs/dbraw/zinc/23/88/52/985238852.db2.gz OFUVOLDFXHWKTO-GFCCVEGCSA-N -1 0 331.771 3.567 20 0 EHADRM CCOC1CC(N(C)C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)C1 ZINC001596809849 985345977 /nfs/dbraw/zinc/34/59/77/985345977.db2.gz ONDKIJAWBSLKIT-UHFFFAOYSA-N -1 0 342.395 3.569 20 0 EHADRM C[C@H]1c2ccccc2CN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001599936781 985405399 /nfs/dbraw/zinc/40/53/99/985405399.db2.gz BQQQLAHMZYDSQR-VIFPVBQESA-N -1 0 332.306 3.772 20 0 EHADRM C[C@H]1Cc2ccccc2N(C(=O)C2[C@H]3CCCCCC[C@H]23)[C@H]1C(=O)[O-] ZINC001599937028 985408403 /nfs/dbraw/zinc/40/84/03/985408403.db2.gz IMBZOTFWRTXZAU-QBWPOKONSA-N -1 0 341.451 3.881 20 0 EHADRM C[C@]1(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)C[C@@H]1c1ccccc1 ZINC001599938047 985420123 /nfs/dbraw/zinc/42/01/23/985420123.db2.gz XBAQFQVBVUBOOX-OPYAIIAOSA-N -1 0 337.419 3.903 20 0 EHADRM Cc1[nH]c(C(=O)CN2CCCc3cc(Cl)ccc32)c(C)c1C(=O)[O-] ZINC001599946420 985535981 /nfs/dbraw/zinc/53/59/81/985535981.db2.gz YKXNJLHNDGPJPP-UHFFFAOYSA-N -1 0 346.814 3.619 20 0 EHADRM CCO[C@@H]1CCCN(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)C1 ZINC001596854599 985598015 /nfs/dbraw/zinc/59/80/15/985598015.db2.gz DICTXTCVUJBVOO-CYBMUJFWSA-N -1 0 348.424 3.632 20 0 EHADRM C[C@@H]1CN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)CC2(CCCC2)O1 ZINC001594498943 985661332 /nfs/dbraw/zinc/66/13/32/985661332.db2.gz AYPTVJYZRSHPGZ-IAQYHMDHSA-N -1 0 341.810 3.638 20 0 EHADRM Cc1[nH]c(CN[C@@H](CCc2ccccc2)C(F)(F)F)cc1C(=O)[O-] ZINC001599964827 985882663 /nfs/dbraw/zinc/88/26/63/985882663.db2.gz WXQPUZQVTZAROW-HNNXBMFYSA-N -1 0 340.345 3.675 20 0 EHADRM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)CC1CCC(C)(C)CC1 ZINC001596908108 985902191 /nfs/dbraw/zinc/90/21/91/985902191.db2.gz KYVVXIZHCRKIII-HNNXBMFYSA-N -1 0 341.492 3.569 20 0 EHADRM CC(=O)c1cc(C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)ccc1C ZINC001589261485 985922095 /nfs/dbraw/zinc/92/20/95/985922095.db2.gz IBTHVHJEEKCOQL-UHFFFAOYSA-N -1 0 343.404 3.698 20 0 EHADRM Cc1[nH]c2ccccc2c1Cc1noc([C@H]2CCC[C@H](C(=O)[O-])C2)n1 ZINC001599967226 985927731 /nfs/dbraw/zinc/92/77/31/985927731.db2.gz YOTLFFHIWGHTHR-STQMWFEESA-N -1 0 339.395 3.809 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2c(C)sc(C)c2C(=O)[O-])cc1C ZINC001589277223 985992414 /nfs/dbraw/zinc/99/24/14/985992414.db2.gz HSRLNALGWGWJCL-UHFFFAOYSA-N -1 0 331.393 3.826 20 0 EHADRM Cc1c(C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)ccn1C(C)C ZINC001599974192 986061700 /nfs/dbraw/zinc/06/17/00/986061700.db2.gz CKIRIKFRRMTDFS-UHFFFAOYSA-N -1 0 348.830 3.758 20 0 EHADRM CC(=O)c1cccc(C(=O)N2CCCCc3cc(C(=O)[O-])ccc32)c1 ZINC001589305239 986069921 /nfs/dbraw/zinc/06/99/21/986069921.db2.gz JCFGOGDAVHLDBR-UHFFFAOYSA-N -1 0 337.375 3.571 20 0 EHADRM CCON(Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001596968600 986183860 /nfs/dbraw/zinc/18/38/60/986183860.db2.gz ITOMCQDKZFTSBQ-UHFFFAOYSA-N -1 0 332.331 3.510 20 0 EHADRM C[C@@H]1CN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)[C@@H](C)[C@@H](C)O1 ZINC001594547383 986225921 /nfs/dbraw/zinc/22/59/21/986225921.db2.gz JYSDKUCYHUEPMV-FRRDWIJNSA-N -1 0 346.452 3.506 20 0 EHADRM C[C@@H](C(=O)N(C)c1ccccc1C(=O)[O-])c1cn(C)c2ccccc12 ZINC001589340003 986243945 /nfs/dbraw/zinc/24/39/45/986243945.db2.gz QOUSQQXBDHOIGU-CYBMUJFWSA-N -1 0 336.391 3.643 20 0 EHADRM CCOc1cc(-c2ccccc2)sc1C(=O)NC[C@H](CC)C(=O)[O-] ZINC001596991513 986270016 /nfs/dbraw/zinc/27/00/16/986270016.db2.gz MIJORRCGKIEHED-LBPRGKRZSA-N -1 0 347.436 3.654 20 0 EHADRM C[C@H](C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-])c1ccc2ccccc2c1 ZINC001589345598 986279446 /nfs/dbraw/zinc/27/94/46/986279446.db2.gz CLDGYDKIQSYQLU-VKOGCVSHSA-N -1 0 337.419 3.655 20 0 EHADRM CCOc1cc(C(=O)N(Cc2ccccc2)[C@H](C)C(=O)[O-])ccc1C ZINC001596994613 986293097 /nfs/dbraw/zinc/29/30/97/986293097.db2.gz UVZFKMKEJJPXOG-OAHLLOKOSA-N -1 0 341.407 3.509 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)Cc1ccc(C)c(C)c1 ZINC001597015802 986372011 /nfs/dbraw/zinc/37/20/11/986372011.db2.gz HFFWFPWAFZYLBJ-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H](C)c1ccccc1 ZINC001597017232 986392625 /nfs/dbraw/zinc/39/26/25/986392625.db2.gz WBDFWWMJZGFPOK-LBPRGKRZSA-N -1 0 328.368 3.666 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1cc2ccc(C)cc2[nH]1 ZINC001597026266 986434478 /nfs/dbraw/zinc/43/44/78/986434478.db2.gz UUOSUJRTSCNVTJ-UHFFFAOYSA-N -1 0 338.363 3.826 20 0 EHADRM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1)C(C)(F)F ZINC001589380921 986461090 /nfs/dbraw/zinc/46/10/90/986461090.db2.gz JOAARHGVUQKXJY-FZMZJTMJSA-N -1 0 341.398 3.907 20 0 EHADRM C[C@H](C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)c1ccc2ccccc2c1 ZINC001589381843 986466899 /nfs/dbraw/zinc/46/68/99/986466899.db2.gz TWXZCFXBWCPULV-GUYCJALGSA-N -1 0 327.424 3.949 20 0 EHADRM C[C@@H](C(=O)N[C@@](C)(CC(=O)[O-])C1CC1)c1ccccc1C(F)(F)F ZINC001589382834 986469122 /nfs/dbraw/zinc/46/91/22/986469122.db2.gz XLUQSMYXIUJYTM-HWPZZCPQSA-N -1 0 343.345 3.569 20 0 EHADRM CC(C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F)=C1CCC1 ZINC001589387884 986493791 /nfs/dbraw/zinc/49/37/91/986493791.db2.gz KNJLSXAWMKKCSV-ZDUSSCGKSA-N -1 0 327.302 3.605 20 0 EHADRM C[C@@H](C(=O)NC1(CC(=O)[O-])CCCC1)c1ccc2ccccc2c1 ZINC001589390446 986505091 /nfs/dbraw/zinc/50/50/91/986505091.db2.gz CFDBYDJISAEDER-CQSZACIVSA-N -1 0 325.408 3.847 20 0 EHADRM CCOc1ccc(-c2noc(-c3cncc(C(=O)[O-])c3)n2)cc1Cl ZINC001597049671 986523818 /nfs/dbraw/zinc/52/38/18/986523818.db2.gz GTBDEYNMCJBYQN-UHFFFAOYSA-N -1 0 345.742 3.549 20 0 EHADRM C[C@H](C(=O)NCC(C)(C)CC(=O)[O-])c1c(Cl)cccc1Cl ZINC001589405077 986585879 /nfs/dbraw/zinc/58/58/79/986585879.db2.gz VUJREUVMAYINTA-VIFPVBQESA-N -1 0 332.227 3.714 20 0 EHADRM CCOc1ccc(C[C@H](C)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC001597085083 986647694 /nfs/dbraw/zinc/64/76/94/986647694.db2.gz NHAHDBDTQFRGNU-AWEZNQCLSA-N -1 0 341.407 3.909 20 0 EHADRM CCOc1ccc(C[C@H](C)C(=O)Nc2sc(C)cc2C(=O)[O-])cc1 ZINC001597085152 986648670 /nfs/dbraw/zinc/64/86/70/986648670.db2.gz OSPAPBDIOPIMSU-NSHDSACASA-N -1 0 347.436 3.971 20 0 EHADRM C[C@@H]1N(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CCOC1(C)C ZINC001594624710 986688569 /nfs/dbraw/zinc/68/85/69/986688569.db2.gz CCXMGFIRCFLPCF-LBPRGKRZSA-N -1 0 342.395 3.569 20 0 EHADRM C[C@@H](C(=O)Nc1cc(-c2ccccc2)sc1C(=O)[O-])[C@H]1CCCO1 ZINC001589428189 986698629 /nfs/dbraw/zinc/69/86/29/986698629.db2.gz CLVIZWYFSCUXIE-BXUZGUMPSA-N -1 0 345.420 3.867 20 0 EHADRM C[C@H](C(=O)Nc1cc(C(F)(F)F)cnc1C(=O)[O-])c1cccs1 ZINC001589428512 986703121 /nfs/dbraw/zinc/70/31/21/986703121.db2.gz HNYIPEIJYQPZPK-ZETCQYMHSA-N -1 0 344.314 3.602 20 0 EHADRM CCOc1ccc(NC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)c(C(=O)[O-])c1F ZINC001597111926 986771733 /nfs/dbraw/zinc/77/17/33/986771733.db2.gz JZNMFIJKHNQJGB-GDNZZTSVSA-N -1 0 337.391 3.933 20 0 EHADRM CCOc1ccc(NC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c(C)c1 ZINC001597118887 986802138 /nfs/dbraw/zinc/80/21/38/986802138.db2.gz LJIGVQPTXIYFBF-CQSZACIVSA-N -1 0 348.443 3.748 20 0 EHADRM C[C@H](C(=O)Nc1ncc(C(=O)[O-])s1)c1ccc(C(F)(F)F)cc1 ZINC001589448166 986818713 /nfs/dbraw/zinc/81/87/13/986818713.db2.gz CNPUOVSXAQIAOU-ZETCQYMHSA-N -1 0 344.314 3.602 20 0 EHADRM CCOc1ccc(N[C@@H](C)c2ccccc2OCC(=O)[O-])c(F)c1 ZINC001597122870 986821063 /nfs/dbraw/zinc/82/10/63/986821063.db2.gz HREBTDKTCGFLDP-LBPRGKRZSA-N -1 0 333.359 3.861 20 0 EHADRM CCOc1ccc(OCCNc2cc(F)c(C(=O)[O-])c(F)c2)cc1 ZINC001597132575 986857338 /nfs/dbraw/zinc/85/73/38/986857338.db2.gz IQODSIRTZCALBQ-UHFFFAOYSA-N -1 0 337.322 3.553 20 0 EHADRM CCOc1ccc(SCc2nc3cc(C(=O)[O-])ccc3[nH]2)cc1 ZINC001597140002 986882638 /nfs/dbraw/zinc/88/26/38/986882638.db2.gz NTAQXIVNBYPWAA-UHFFFAOYSA-N -1 0 328.393 3.952 20 0 EHADRM CCOc1cccc(/C=C\C(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC001597149719 986920539 /nfs/dbraw/zinc/92/05/39/986920539.db2.gz LAJIMEZSPAKFDJ-LUAWRHEFSA-N -1 0 339.391 3.754 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NCc1cc(-c2ccccc2)on1)c1ccccc1 ZINC001589468784 986934143 /nfs/dbraw/zinc/93/41/43/986934143.db2.gz MSLGWTFTMMFYHL-IFXJQAMLSA-N -1 0 336.391 3.893 20 0 EHADRM C[C@@H]1SCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001594664801 986956428 /nfs/dbraw/zinc/95/64/28/986956428.db2.gz ZYINRUAZTONQIY-HZMBPMFUSA-N -1 0 330.409 3.554 20 0 EHADRM CCOc1cccc(NCc2ccc(C(=O)[O-])cc2C(F)(F)F)n1 ZINC001597161440 986967770 /nfs/dbraw/zinc/96/77/70/986967770.db2.gz FNMOXKDLHYJONJ-UHFFFAOYSA-N -1 0 340.301 3.809 20 0 EHADRM COc1ccc(O)c([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000125717326 1015271158 /nfs/dbraw/zinc/27/11/58/1015271158.db2.gz MWSICKJVZAUKOA-UHFFFAOYSA-N -1 0 348.207 3.508 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1csc(-c2ccccc2F)n1)C1CCC1 ZINC001589487241 987046143 /nfs/dbraw/zinc/04/61/43/987046143.db2.gz VVHGVQDYFOTYRQ-NSHDSACASA-N -1 0 334.416 3.777 20 0 EHADRM C/C=C\c1ccc(OC(=O)Cc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC001594689749 987078273 /nfs/dbraw/zinc/07/82/73/987078273.db2.gz WXLMVFJETLWYEF-HYXAFXHYSA-N -1 0 326.348 3.575 20 0 EHADRM CC/C(=C/C(=O)N[C@@H](C(=O)[O-])c1ccccc1F)c1ccc(C)cc1 ZINC001594690663 987081683 /nfs/dbraw/zinc/08/16/83/987081683.db2.gz GWIAJDKVUICIRA-LUQQZNFBSA-N -1 0 341.382 3.870 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N(C)Cc2cc(Cl)cn2C)cc1 ZINC001589503548 987108797 /nfs/dbraw/zinc/10/87/97/987108797.db2.gz FNOZUEKMCHQBBE-LLVKDONJSA-N -1 0 349.818 3.531 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)CCCCC(=O)OC(C)(C)C)cc1 ZINC001589504947 987116894 /nfs/dbraw/zinc/11/68/94/987116894.db2.gz PWFYZTYAZDTEMB-CYBMUJFWSA-N -1 0 349.427 3.715 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cncnc2-c2ccccc2)cc1 ZINC001589521023 987163750 /nfs/dbraw/zinc/16/37/50/987163750.db2.gz GOOPQYJHEMBIAR-CYBMUJFWSA-N -1 0 347.374 3.584 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2nc(C(C)(C)C)cs2)cc1 ZINC001589521242 987165173 /nfs/dbraw/zinc/16/51/73/987165173.db2.gz KWVPDYHHSZUEPA-SNVBAGLBSA-N -1 0 332.425 3.881 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cccc(C(F)(F)F)n2)cc1 ZINC001589521410 987166083 /nfs/dbraw/zinc/16/60/83/987166083.db2.gz NUEULIVHYPJJIH-VIFPVBQESA-N -1 0 338.285 3.541 20 0 EHADRM CCC(=O)c1ccc(C(=O)Nc2cccc(C(=O)[O-])c2Cl)cc1 ZINC001594717169 987192155 /nfs/dbraw/zinc/19/21/55/987192155.db2.gz QDGFYCZGYHGFPF-UHFFFAOYSA-N -1 0 331.755 3.883 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=S)NCCc2ccc(F)cc2)cc1 ZINC001589524194 987197371 /nfs/dbraw/zinc/19/73/71/987197371.db2.gz YALGQLDRQOOSBB-GFCCVEGCSA-N -1 0 346.427 3.543 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cc(Cl)c(Cl)[nH]2)c1 ZINC001589531400 987203052 /nfs/dbraw/zinc/20/30/52/987203052.db2.gz FJXVIIKXZLEGMA-ZETCQYMHSA-N -1 0 327.167 3.762 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2ncccc2-c2ccccn2)c1 ZINC001589531925 987208224 /nfs/dbraw/zinc/20/82/24/987208224.db2.gz LDZWEUWZNSERTO-CYBMUJFWSA-N -1 0 347.374 3.584 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)CNc2cccc(Cl)c2)c1 ZINC001589533838 987229567 /nfs/dbraw/zinc/22/95/67/987229567.db2.gz UAQBZVNWVBSHMP-NSHDSACASA-N -1 0 332.787 3.579 20 0 EHADRM CC[C@H](C(=O)N(C)c1nc(CC(=O)[O-])cs1)C1CCC(C)CC1 ZINC001594725508 987232037 /nfs/dbraw/zinc/23/20/37/987232037.db2.gz YOBQCETYZMNKBO-YIZWMMSDSA-N -1 0 338.473 3.586 20 0 EHADRM CC[C@@H](C(=O)Nc1ncc(C(=O)[O-])cc1Cl)c1ccc(OC)cc1 ZINC001594735038 987266076 /nfs/dbraw/zinc/26/60/76/987266076.db2.gz HAILSCXQJVPKLL-CYBMUJFWSA-N -1 0 348.786 3.574 20 0 EHADRM CC[C@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1F)c1ccc(F)cc1 ZINC001594735140 987266281 /nfs/dbraw/zinc/26/62/81/987266281.db2.gz IOLWHOMGBSCUCC-NSHDSACASA-N -1 0 337.297 3.934 20 0 EHADRM CC[C@H](C(=O)N[C@@H](CC(C)C)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001594736543 987278100 /nfs/dbraw/zinc/27/81/00/987278100.db2.gz NWBYZOPCLLWWBD-KBPBESRZSA-N -1 0 345.361 3.815 20 0 EHADRM CCSc1cc(CNC(=O)Nc2ccc(C)c(C(=O)[O-])c2)ccn1 ZINC001597268084 987307661 /nfs/dbraw/zinc/30/76/61/987307661.db2.gz REPUZXYENSHKGI-UHFFFAOYSA-N -1 0 345.424 3.522 20 0 EHADRM CCSc1ccc([C@@H](C)NC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC001597271145 987317695 /nfs/dbraw/zinc/31/76/95/987317695.db2.gz WPNRORRTGNGUNM-SEVUFMINSA-N -1 0 345.420 3.980 20 0 EHADRM CCSc1ccc(CC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])cc1 ZINC001597272340 987319690 /nfs/dbraw/zinc/31/96/90/987319690.db2.gz FDNNHFSWZNYEHD-KRWDZBQOSA-N -1 0 349.496 3.881 20 0 EHADRM CCSc1ccc(CC(=O)N[C@]2(C(=O)[O-])CCCC(C)(C)C2)cc1 ZINC001597273096 987325966 /nfs/dbraw/zinc/32/59/66/987325966.db2.gz QUASYLXIODFGLE-LJQANCHMSA-N -1 0 349.496 3.881 20 0 EHADRM CC(C)(C(=O)NC[C@H](C(=O)[O-])C1CCCCC1)c1cccc(F)c1 ZINC001589566807 987330741 /nfs/dbraw/zinc/33/07/41/987330741.db2.gz FYVWGIAMCQRRQW-INIZCTEOSA-N -1 0 335.419 3.501 20 0 EHADRM CCSc1cccc(CNC(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC001597276985 987330791 /nfs/dbraw/zinc/33/07/91/987330791.db2.gz AJSIUQMWLGBCOQ-UHFFFAOYSA-N -1 0 333.384 3.566 20 0 EHADRM CC(C)(C(=O)Nc1ccc2c(c1)[nH]cc2C(=O)[O-])c1ccc(F)cc1 ZINC001589576660 987355495 /nfs/dbraw/zinc/35/54/95/987355495.db2.gz QGDWBZCZTJKKHP-UHFFFAOYSA-N -1 0 340.354 3.922 20 0 EHADRM CC(C)(C(=O)Nc1cccc(C(=O)[O-])c1Cl)[C@H]1CCCCO1 ZINC001589576942 987356629 /nfs/dbraw/zinc/35/66/29/987356629.db2.gz XULPPHOHUUCHHQ-GFCCVEGCSA-N -1 0 325.792 3.572 20 0 EHADRM CC(C)(C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O)c1ccccc1 ZINC001589580507 987361776 /nfs/dbraw/zinc/36/17/76/987361776.db2.gz TYOQRIOEROVENE-UHFFFAOYSA-N -1 0 333.771 3.660 20 0 EHADRM CC[C@H](C)[C@H](NCc1cc(C(=O)[O-])sc1C)C(=O)OC(C)(C)C ZINC001597325019 987459309 /nfs/dbraw/zinc/45/93/09/987459309.db2.gz SNJBKDROQOCHFQ-HZMBPMFUSA-N -1 0 341.473 3.601 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)C1 ZINC001589611527 987464545 /nfs/dbraw/zinc/46/45/45/987464545.db2.gz NPAXHVKCLPJQLZ-CWRNSKLLSA-N -1 0 349.858 3.793 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccc(F)cc1 ZINC001597336382 987474451 /nfs/dbraw/zinc/47/44/51/987474451.db2.gz MTJSLLREKWKHAH-AWEZNQCLSA-N -1 0 334.322 3.936 20 0 EHADRM CC(C)(C(=O)[O-])N(Cc1ccccc1)C(=O)CCc1ccccc1F ZINC001589616525 987480769 /nfs/dbraw/zinc/48/07/69/987480769.db2.gz GGYSBKORFKTHEA-UHFFFAOYSA-N -1 0 343.398 3.650 20 0 EHADRM CCc1[nH]c(C(=O)N[C@]2(C)CCCc3ccccc32)c(C)c1C(=O)[O-] ZINC001597363032 987527815 /nfs/dbraw/zinc/52/78/15/987527815.db2.gz BFOYVFREGRIVCK-HXUWFJFHSA-N -1 0 340.423 3.565 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NCCC(=O)Nc2ccccc2F)cc1 ZINC001589640755 987562304 /nfs/dbraw/zinc/56/23/04/987562304.db2.gz FCQQZOARVULKFZ-UHFFFAOYSA-N -1 0 344.386 3.629 20 0 EHADRM CCc1[nH]c(C[N@@H+]2C[C@@H](C)C[C@@H]2c2ccccc2F)cc1C(=O)[O-] ZINC001597384254 987587059 /nfs/dbraw/zinc/58/70/59/987587059.db2.gz ISXBXHXUZYKUDZ-KPZWWZAWSA-N -1 0 330.403 3.998 20 0 EHADRM CCc1[nH]c(C(=O)Nc2c(F)cccc2NC(C)C)c(C)c1C(=O)[O-] ZINC001597385862 987598215 /nfs/dbraw/zinc/59/82/15/987598215.db2.gz STXOKGDSKJZTSR-UHFFFAOYSA-N -1 0 347.390 3.795 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c1 ZINC001589650292 987598364 /nfs/dbraw/zinc/59/83/64/987598364.db2.gz IWGZQRNTTCUNHE-HONMWMINSA-N -1 0 338.350 3.636 20 0 EHADRM CCc1[nH]c(C(=O)Nc2cc(-c3cccs3)on2)c(C)c1C(=O)[O-] ZINC001597385891 987598792 /nfs/dbraw/zinc/59/87/92/987598792.db2.gz TZQLJTMGRYYSHY-UHFFFAOYSA-N -1 0 345.380 3.553 20 0 EHADRM CCc1[nH]c(CN2CCO[C@H](c3cccc(Cl)c3)C2)cc1C(=O)[O-] ZINC001597386098 987601690 /nfs/dbraw/zinc/60/16/90/987601690.db2.gz CNYUKPRRDCAACM-KRWDZBQOSA-N -1 0 348.830 3.502 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC001589696903 987778179 /nfs/dbraw/zinc/77/81/79/987778179.db2.gz QZHARVXQUKYOAI-UHFFFAOYSA-N -1 0 344.367 3.528 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC001597454106 987859752 /nfs/dbraw/zinc/85/97/52/987859752.db2.gz YSMAZTDANJWUNN-XGWLTEMNSA-N -1 0 330.428 3.990 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NC(C)(C)c1nc(C)cs1 ZINC001597456796 987865478 /nfs/dbraw/zinc/86/54/78/987865478.db2.gz LKQDDZLTNLSZHT-UHFFFAOYSA-N -1 0 347.440 3.769 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCC[C@]1(C)C[C@@]1(F)Cl ZINC001597457925 987878521 /nfs/dbraw/zinc/87/85/21/987878521.db2.gz PMBKJVKTOFJZJD-CVEARBPZSA-N -1 0 342.798 3.773 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCc1c(C)cccc1F ZINC001597460105 987889277 /nfs/dbraw/zinc/88/92/77/987889277.db2.gz SWZVXKFXROUIJS-UHFFFAOYSA-N -1 0 330.359 3.716 20 0 EHADRM CS[C@H](C)CC(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001599784171 987894451 /nfs/dbraw/zinc/89/44/51/987894451.db2.gz SIQWBNSJTBQAMI-SECBINFHSA-N -1 0 347.889 3.987 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1ncccc1-c1ccccn1 ZINC001597465519 987905865 /nfs/dbraw/zinc/90/58/65/987905865.db2.gz IJWIAKMWIBSPRJ-UHFFFAOYSA-N -1 0 347.374 3.657 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cccc2c1OC(C)(C)C2 ZINC001597465631 987907797 /nfs/dbraw/zinc/90/77/97/987907797.db2.gz YRDVOCHOIOOJFV-UHFFFAOYSA-N -1 0 339.391 3.913 20 0 EHADRM CCc1cc(C(=O)Oc2ccc(C(=O)[O-])cc2)ccc1Br ZINC001597470814 987925050 /nfs/dbraw/zinc/92/50/50/987925050.db2.gz XYUAQMOTPHIDSQ-UHFFFAOYSA-N -1 0 349.180 3.929 20 0 EHADRM CC(C)(C)[C@H]1CCC[C@H]1NC(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001589728216 987928888 /nfs/dbraw/zinc/92/88/88/987928888.db2.gz GHWDXVPPDPSDGT-JKSUJKDBSA-N -1 0 348.443 3.876 20 0 EHADRM CS[C@@H](CNc1cc(C(F)(F)F)c(C(=O)[O-])cn1)C(C)(C)C ZINC001599786665 987933976 /nfs/dbraw/zinc/93/39/76/987933976.db2.gz DOPIBEYEVRWEMN-JTQLQIEISA-N -1 0 336.379 3.988 20 0 EHADRM CS[C@H](CNC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1)C(C)(C)C ZINC001599786681 987934156 /nfs/dbraw/zinc/93/41/56/987934156.db2.gz DSRYTQWVRJVYCW-BXUZGUMPSA-N -1 0 338.473 3.774 20 0 EHADRM CC(C)(C)[C@H]1CCC[C@@H](NS(=O)(=O)CCCCCC(=O)[O-])CC1 ZINC001589728496 987934221 /nfs/dbraw/zinc/93/42/21/987934221.db2.gz MROBAAMQKYASOL-LSDHHAIUSA-N -1 0 347.521 3.546 20 0 EHADRM CCc1cc(C)c(OS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c(C)c1 ZINC001597471572 987937334 /nfs/dbraw/zinc/93/73/34/987937334.db2.gz UVXISKUYTIXGRT-UHFFFAOYSA-N -1 0 348.420 3.640 20 0 EHADRM CS[C@@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)C1 ZINC001599791164 988011113 /nfs/dbraw/zinc/01/11/13/988011113.db2.gz RINNFCMACCLJAG-LLVKDONJSA-N -1 0 330.409 3.507 20 0 EHADRM CCc1cc2c(ncnc2NCc2ccc(OC)c(C(=O)[O-])c2)s1 ZINC001597489420 988011156 /nfs/dbraw/zinc/01/11/56/988011156.db2.gz JOMPZUWUVXCOTM-UHFFFAOYSA-N -1 0 343.408 3.573 20 0 EHADRM CC(C)(C)CC(C)(C)NC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC001589742420 988018091 /nfs/dbraw/zinc/01/80/91/988018091.db2.gz RAQVYDQBFQNUIR-UHFFFAOYSA-N -1 0 343.427 3.515 20 0 EHADRM CCc1ccc(-c2nc(Cn3cc(C(=O)[O-])nc3C)cs2)cc1 ZINC001597492651 988030634 /nfs/dbraw/zinc/03/06/34/988030634.db2.gz SDCNTNSITKYEBD-UHFFFAOYSA-N -1 0 327.409 3.624 20 0 EHADRM CSC[C@@H](C)NC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001599792336 988031678 /nfs/dbraw/zinc/03/16/78/988031678.db2.gz ISIAZBMZUCELAL-GFCCVEGCSA-N -1 0 329.421 3.533 20 0 EHADRM CCc1ccc(C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)cc1CC ZINC001597498863 988049092 /nfs/dbraw/zinc/04/90/92/988049092.db2.gz QCNXLJDLAUSSGQ-GOSISDBHSA-N -1 0 325.408 3.709 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)c1ccc(N2CCCCCC2)cc1)C(=O)[O-] ZINC001589752136 988060540 /nfs/dbraw/zinc/06/05/40/988060540.db2.gz XVUFOBSVWRMSTC-QGZVFWFLSA-N -1 0 346.471 3.686 20 0 EHADRM CCc1ccc(C(C)(C)C(=O)N2CCc3cc(C(=O)[O-])ccc32)cc1 ZINC001597509122 988090381 /nfs/dbraw/zinc/09/03/81/988090381.db2.gz YFCWAHUSOHYMPI-UHFFFAOYSA-N -1 0 337.419 3.814 20 0 EHADRM CCc1[nH]c(C(=O)NC(C)(C)c2ccc(CC)cc2)c(C)c1C(=O)[O-] ZINC001597509176 988090673 /nfs/dbraw/zinc/09/06/73/988090673.db2.gz ZNOPGSVROPIEEQ-UHFFFAOYSA-N -1 0 342.439 3.811 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)c1oc(C2CC2)nc1C(F)F)C(=O)[O-] ZINC001589762038 988095621 /nfs/dbraw/zinc/09/56/21/988095621.db2.gz VYUCUSBQIWUNBX-QMMMGPOBSA-N -1 0 331.315 3.536 20 0 EHADRM CCc1ccc([C@H](COC)N[C@@H]2CCCc3ccc(C(=O)[O-])cc32)o1 ZINC001597513613 988114444 /nfs/dbraw/zinc/11/44/44/988114444.db2.gz YNCVOXDFCKHJRP-MSOLQXFVSA-N -1 0 343.423 3.895 20 0 EHADRM CCc1ccc([C@@H](NC(=O)c2cc(C)c(C(=O)[O-])o2)C(C)C)cc1 ZINC001597514188 988118598 /nfs/dbraw/zinc/11/85/98/988118598.db2.gz JJGVNFCHCWKSCQ-INIZCTEOSA-N -1 0 329.396 3.976 20 0 EHADRM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2csc(C(=O)[O-])n2)o1 ZINC001597516246 988126137 /nfs/dbraw/zinc/12/61/37/988126137.db2.gz BSIDVEMETWTMDD-ZWNOBZJWSA-N -1 0 348.424 3.610 20 0 EHADRM CCc1ccc([C@H]2C[C@H](C)CCN2Cc2ncc(C(=O)[O-])s2)o1 ZINC001597516250 988126365 /nfs/dbraw/zinc/12/63/65/988126365.db2.gz BVYQASHGUHIFBS-DGCLKSJQSA-N -1 0 334.441 3.970 20 0 EHADRM CCc1ccc([C@@H]2CN([C@@H](C)c3ncc(C(=O)[O-])s3)CCO2)cc1 ZINC001597519784 988140804 /nfs/dbraw/zinc/14/08/04/988140804.db2.gz AVVBHLVFVGFAGR-WFASDCNBSA-N -1 0 346.452 3.538 20 0 EHADRM CC(C)(C)CCNC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001589777197 988143245 /nfs/dbraw/zinc/14/32/45/988143245.db2.gz UXCCIEDYCQBYTA-UHFFFAOYSA-N -1 0 347.459 3.933 20 0 EHADRM CC(C)(C)N(Cc1ccc(F)cc1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001589795523 988190055 /nfs/dbraw/zinc/19/00/55/988190055.db2.gz FILDNZLHGILOPK-CABCVRRESA-N -1 0 335.419 3.844 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)NC[C@@H](CC)C(=O)[O-] ZINC001597531154 988190630 /nfs/dbraw/zinc/19/06/30/988190630.db2.gz YVISFEWQESZAIW-LLVKDONJSA-N -1 0 326.824 3.697 20 0 EHADRM CSCc1cccc(NC(=O)NCc2ccc(C(=O)[O-])s2)c1 ZINC001599803077 988208822 /nfs/dbraw/zinc/20/88/22/988208822.db2.gz IDUZDXWRWMHDNR-UHFFFAOYSA-N -1 0 336.438 3.631 20 0 EHADRM CSCc1cccc(CNC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001599803369 988215136 /nfs/dbraw/zinc/21/51/36/988215136.db2.gz WKWSHZOACLKELA-UHFFFAOYSA-N -1 0 344.436 3.878 20 0 EHADRM CCc1ccc(NC(=O)CCc2ccccc2C(=O)[O-])cc1OC ZINC001597543050 988236522 /nfs/dbraw/zinc/23/65/22/988236522.db2.gz QJFOPKORMIHMPE-UHFFFAOYSA-N -1 0 327.380 3.527 20 0 EHADRM CCc1ccc(NC(=O)N(C)[C@H](C)c2cccc(O)c2)c(C(=O)[O-])c1 ZINC001597544647 988243398 /nfs/dbraw/zinc/24/33/98/988243398.db2.gz IIQNSXKIXFJHTJ-GFCCVEGCSA-N -1 0 342.395 3.878 20 0 EHADRM CCc1ccc(NC(=O)NC[C@H](C(=O)[O-])c2ccc(C)cc2)cc1C ZINC001597546789 988253135 /nfs/dbraw/zinc/25/31/35/988253135.db2.gz KXCYSWIGZPQQIT-SFHVURJKSA-N -1 0 340.423 3.856 20 0 EHADRM CSc1c(F)cccc1C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001599806170 988259501 /nfs/dbraw/zinc/25/95/01/988259501.db2.gz OGQDBWKHTWRKAX-UHFFFAOYSA-N -1 0 348.399 3.564 20 0 EHADRM CSc1cc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)co1 ZINC001599806771 988268614 /nfs/dbraw/zinc/26/86/14/988268614.db2.gz RVZIQTLJAAGTOB-INIZCTEOSA-N -1 0 341.388 3.710 20 0 EHADRM CCc1ccc(NC(=O)c2ccc(OCC(=O)[O-])cc2)cc1CC ZINC001597550725 988269393 /nfs/dbraw/zinc/26/93/93/988269393.db2.gz KYQYKZZAZQQJFX-UHFFFAOYSA-N -1 0 327.380 3.527 20 0 EHADRM CCc1ccc(S(=O)(=O)[C@@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC001597557750 988298456 /nfs/dbraw/zinc/29/84/56/988298456.db2.gz OQDGALKNWGRFJL-OAHLLOKOSA-N -1 0 338.812 3.502 20 0 EHADRM CCc1ccc([C@@H](C)NC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc1 ZINC001597562576 988308055 /nfs/dbraw/zinc/30/80/55/988308055.db2.gz IRKAVTBVAJNVQA-WIBUTAKZSA-N -1 0 344.455 3.596 20 0 EHADRM CCc1ccc([C@@H](C)NC(=O)Nc2cc(C(=O)[O-])cnc2Cl)cc1 ZINC001597562758 988309611 /nfs/dbraw/zinc/30/96/11/988309611.db2.gz OWMOBEYGARMNRN-SNVBAGLBSA-N -1 0 347.802 3.878 20 0 EHADRM CCc1ccc2ccccc2c1CNC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC001597569612 988337467 /nfs/dbraw/zinc/33/74/67/988337467.db2.gz XXCLBAYRQOYAQN-INIZCTEOSA-N -1 0 340.423 3.551 20 0 EHADRM CCc1ccc2occ(C(=O)Oc3ccc(C(=O)[O-])c(OC)c3)c2c1 ZINC001597570246 988340192 /nfs/dbraw/zinc/34/01/92/988340192.db2.gz BUNXXLYMDSTIDF-UHFFFAOYSA-N -1 0 340.331 3.921 20 0 EHADRM CCc1ccc2occ(C(=O)NCc3cc(C)c(C(=O)[O-])o3)c2c1 ZINC001597570420 988343767 /nfs/dbraw/zinc/34/37/67/988343767.db2.gz IFBLWXYYIWZNPA-UHFFFAOYSA-N -1 0 327.336 3.525 20 0 EHADRM CCc1ccc2nc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])sc2c1 ZINC001597570517 988344770 /nfs/dbraw/zinc/34/47/70/988344770.db2.gz MQLZMGCEXKCBJQ-NWDGAFQWSA-N -1 0 332.425 3.688 20 0 EHADRM CSc1ccc(C)c(C(=O)N[C@]2(C(=O)[O-])CCCC(C)(C)C2)c1 ZINC001599811566 988344747 /nfs/dbraw/zinc/34/47/47/988344747.db2.gz FHTYOBMXSDPZQH-GOSISDBHSA-N -1 0 335.469 3.870 20 0 EHADRM CCc1ccc2occ(C(=O)N(C)[C@@H](C(=O)[O-])c3ccccc3)c2c1 ZINC001597570702 988348757 /nfs/dbraw/zinc/34/87/57/988348757.db2.gz YXZBWHYFTBWXAW-GOSISDBHSA-N -1 0 337.375 3.893 20 0 EHADRM CSc1ccc(/C=C/C(=O)NC2(CC(=O)[O-])CCCCC2)s1 ZINC001599811821 988350016 /nfs/dbraw/zinc/35/00/16/988350016.db2.gz CBLGSRVNBZSDPX-FNORWQNLSA-N -1 0 339.482 3.777 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cc(-c2ccccc2)no1 ZINC001597571297 988350478 /nfs/dbraw/zinc/35/04/78/988350478.db2.gz BGVZNMPWEYRKQK-UHFFFAOYSA-N -1 0 336.347 3.855 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)CCc1ccc(N(C)C)cc1 ZINC001597572267 988352913 /nfs/dbraw/zinc/35/29/13/988352913.db2.gz IYDXMYZCWRNYQC-UHFFFAOYSA-N -1 0 340.423 3.585 20 0 EHADRM CC(C)(C)OC(=O)C(C)(C)CCNc1nc(Cl)c(C(=O)[O-])s1 ZINC001589845247 988360500 /nfs/dbraw/zinc/36/05/00/988360500.db2.gz WZMZVWKSYXPULE-UHFFFAOYSA-N -1 0 348.852 3.665 20 0 EHADRM CSc1ccc(/C=C/C(=O)N(C)c2ccccc2C(=O)[O-])s1 ZINC001599812555 988362381 /nfs/dbraw/zinc/36/23/81/988362381.db2.gz NAAAXUJXSHCXEF-VQHVLOKHSA-N -1 0 333.434 3.844 20 0 EHADRM CSc1ccc(C)c(C(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)c1 ZINC001599812569 988363664 /nfs/dbraw/zinc/36/36/64/988363664.db2.gz ZMZVIWNDZJNZLR-QGZVFWFLSA-N -1 0 343.448 3.889 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)[C@H](SC)c1ccccc1 ZINC001597576773 988369633 /nfs/dbraw/zinc/36/96/33/988369633.db2.gz UCSHNNYSBLILQZ-MRXNPFEDSA-N -1 0 329.421 3.990 20 0 EHADRM CCc1cccc(C(=O)O[C@@H]2CCCc3cc(C(=O)[O-])ccc32)n1 ZINC001597578726 988374868 /nfs/dbraw/zinc/37/48/68/988374868.db2.gz KINCCCCKLCKHDM-QGZVFWFLSA-N -1 0 325.364 3.577 20 0 EHADRM CCc1cccc(C)c1NC(=O)CNc1cc(C(=O)[O-])ccc1C ZINC001597579174 988378215 /nfs/dbraw/zinc/37/82/15/988378215.db2.gz RMBHZHYFEXZTGB-UHFFFAOYSA-N -1 0 326.396 3.615 20 0 EHADRM CSc1ccc(N(C)C(=O)Nc2cccc(OCC(=O)[O-])c2)cc1 ZINC001599814060 988389873 /nfs/dbraw/zinc/38/98/73/988389873.db2.gz FIHFCKDVRMWRTH-UHFFFAOYSA-N -1 0 346.408 3.540 20 0 EHADRM CSc1ccc(Cl)c(C(=O)O[C@@H](C)c2nc(C(=O)[O-])co2)c1 ZINC001599814464 988396820 /nfs/dbraw/zinc/39/68/20/988396820.db2.gz MAMGMWOPMNPHFU-ZETCQYMHSA-N -1 0 341.772 3.666 20 0 EHADRM CC(C)(C)OC(=O)C1(NCc2cccc(C(=O)[O-])c2)CCCCCC1 ZINC001589857036 988405731 /nfs/dbraw/zinc/40/57/31/988405731.db2.gz DCBHDQRTMOJQFJ-UHFFFAOYSA-N -1 0 347.455 3.909 20 0 EHADRM CSc1ccc(NC(=O)N2CCC[C@H]3CCC[C@@H]32)cc1C(=O)[O-] ZINC001599816333 988430524 /nfs/dbraw/zinc/43/05/24/988430524.db2.gz DDICKUPGLDUKQF-RISCZKNCSA-N -1 0 334.441 3.903 20 0 EHADRM CSc1ccc(NC(=O)[C@H]2CCCCC2(F)F)cc1C(=O)[O-] ZINC001599816482 988435061 /nfs/dbraw/zinc/43/50/61/988435061.db2.gz XYUWCFBGPIQZEB-LLVKDONJSA-N -1 0 329.368 3.871 20 0 EHADRM CSc1ccc(NC(=O)c2ccc(C)c(C)c2O)cc1C(=O)[O-] ZINC001599817503 988452504 /nfs/dbraw/zinc/45/25/04/988452504.db2.gz MUVJYFJRGAFJKO-UHFFFAOYSA-N -1 0 331.393 3.681 20 0 EHADRM CSc1ccc(NC(=O)c2cc(Cl)c(Cl)[nH]2)cc1C(=O)[O-] ZINC001599817942 988460117 /nfs/dbraw/zinc/46/01/17/988460117.db2.gz VWYKKINGSDUATA-UHFFFAOYSA-N -1 0 345.207 3.994 20 0 EHADRM CSc1ccc(NC(=O)N[C@@H]2CCCC3(CC3)C2)cc1C(=O)[O-] ZINC001599818312 988466435 /nfs/dbraw/zinc/46/64/35/988466435.db2.gz QNMIMVFEYUGRBL-GFCCVEGCSA-N -1 0 334.441 3.951 20 0 EHADRM CSc1ccc(NC(=O)NCC23CCC(CC2)C3)cc1C(=O)[O-] ZINC001599819355 988485208 /nfs/dbraw/zinc/48/52/08/988485208.db2.gz VKLJWEIDANXJRM-UHFFFAOYSA-N -1 0 334.441 3.809 20 0 EHADRM CSc1ccccc1[C@H](C)NC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001599825987 988598365 /nfs/dbraw/zinc/59/83/65/988598365.db2.gz COXLRPUZBLXFDM-PNPHSEOMSA-N -1 0 348.468 3.508 20 0 EHADRM C[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1cc(Cl)ccc1F ZINC001599838870 988789809 /nfs/dbraw/zinc/78/98/09/988789809.db2.gz BBJDKHIKFOCKDR-LLVKDONJSA-N -1 0 349.789 3.987 20 0 EHADRM CCc1nc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)sc1C(=O)[O-] ZINC001597676304 988790156 /nfs/dbraw/zinc/79/01/56/988790156.db2.gz SIRQYTMXSJFMNO-SDDRHHMPSA-N -1 0 336.457 3.949 20 0 EHADRM CCc1nc(NC(=O)CC2CC(c3ccccc3)C2)sc1C(=O)[O-] ZINC001597678756 988800964 /nfs/dbraw/zinc/80/09/64/988800964.db2.gz WKMJNKDJCGITBW-UHFFFAOYSA-N -1 0 344.436 3.926 20 0 EHADRM CCc1nc(NC(=O)c2ccc3nc(C)ccc3c2)sc1C(=O)[O-] ZINC001597685033 988824514 /nfs/dbraw/zinc/82/45/14/988824514.db2.gz GYPPNGPJKIOZLJ-UHFFFAOYSA-N -1 0 341.392 3.513 20 0 EHADRM C[C@@H](Nc1ncc(C(=O)[O-])cc1C(F)(F)F)c1cncc(F)c1 ZINC001599842040 988856178 /nfs/dbraw/zinc/85/61/78/988856178.db2.gz BNFVPBUSYQFBAC-SSDOTTSWSA-N -1 0 329.253 3.506 20 0 EHADRM C[C@@H]1CCN(C(=O)CC2(CC(=O)[O-])CCCC2)[C@H](C(F)(F)F)C1 ZINC001599848227 988969722 /nfs/dbraw/zinc/96/97/22/988969722.db2.gz HJRYONGTFQOIET-NEPJUHHUSA-N -1 0 335.366 3.601 20 0 EHADRM CCc1noc(C)c1NC(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC001597746862 989118995 /nfs/dbraw/zinc/11/89/95/989118995.db2.gz WNGPQUIVLGFELF-UHFFFAOYSA-N -1 0 335.385 3.610 20 0 EHADRM C[C@@H]1CN(C(=O)c2cccc(Oc3ccccc3)c2)C[C@H]1CC(=O)[O-] ZINC001599863575 989207957 /nfs/dbraw/zinc/20/79/57/989207957.db2.gz ZNFGGEORGMBIGQ-GDBMZVCRSA-N -1 0 339.391 3.662 20 0 EHADRM CCc1oc(CNc2ccc(C[C@H](C)C(=O)OC)cc2)cc1C(=O)[O-] ZINC001597804747 989408681 /nfs/dbraw/zinc/40/86/81/989408681.db2.gz LMBLFVILNHSUJU-LBPRGKRZSA-N -1 0 345.395 3.504 20 0 EHADRM CCc1oc2ccccc2c1CN(C)C(=O)c1ccccc1C(=O)[O-] ZINC001597807760 989421637 /nfs/dbraw/zinc/42/16/37/989421637.db2.gz JQPIFTFQRJYUIB-UHFFFAOYSA-N -1 0 337.375 3.966 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccoc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001590319513 989756011 /nfs/dbraw/zinc/75/60/11/989756011.db2.gz IBVUWRONINFYNO-UHFFFAOYSA-N -1 0 346.339 3.577 20 0 EHADRM CC(C)(C)OCCCC(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC001590382660 989900502 /nfs/dbraw/zinc/90/05/02/989900502.db2.gz ROMOIFCVMFMZMC-GOSISDBHSA-N -1 0 343.423 3.677 20 0 EHADRM CC(C)(C)OC[C@@H]1CCCN1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001590389299 989913640 /nfs/dbraw/zinc/91/36/40/989913640.db2.gz QRCCBIUMYBUCCT-INIZCTEOSA-N -1 0 348.443 3.515 20 0 EHADRM CC(C)(C)OCc1ccc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC001590396195 989921215 /nfs/dbraw/zinc/92/12/15/989921215.db2.gz OLMBFVUDUNLNET-GJZGRUSLSA-N -1 0 333.428 3.831 20 0 EHADRM CC(C)(C)OCc1ccc(NC(=O)N2CCC[C@](C)(C(=O)[O-])C2)cc1 ZINC001590396156 989921264 /nfs/dbraw/zinc/92/12/64/989921264.db2.gz OGCBKYYTHDBMIT-IBGZPJMESA-N -1 0 348.443 3.720 20 0 EHADRM CC(C)(C)Oc1cc(F)ccc1NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001590408441 989941191 /nfs/dbraw/zinc/94/11/91/989941191.db2.gz PTTURMDRVNFQOL-RMKNXTFCSA-N -1 0 347.342 3.946 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)NCc2ccc(C(=O)[O-])cc2F)c1 ZINC001590417197 989959073 /nfs/dbraw/zinc/95/90/73/989959073.db2.gz YJWDZKVVOOYURP-UHFFFAOYSA-N -1 0 345.370 3.631 20 0 EHADRM CC(C)(C)Oc1cccc(COC(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC001590419586 989960909 /nfs/dbraw/zinc/96/09/09/989960909.db2.gz DUDKTGIQMXDTAU-UHFFFAOYSA-N -1 0 342.391 3.848 20 0 EHADRM CSCc1cccc([N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000109245539 1015530715 /nfs/dbraw/zinc/53/07/15/1015530715.db2.gz MBMCFAWVFVYEJV-UHFFFAOYSA-N -1 0 329.393 3.629 20 0 EHADRM O=S(=O)([N-]c1ccc2n[nH]cc2c1)c1c(Cl)cccc1Cl ZINC000032591498 1015531726 /nfs/dbraw/zinc/53/17/26/1015531726.db2.gz JINAWFWYLUMIDS-UHFFFAOYSA-N -1 0 342.207 3.671 20 0 EHADRM CC(C)(C)c1ccc(COC(=O)c2ccc(C(=O)[O-])c(F)c2)nc1 ZINC001590486710 990085371 /nfs/dbraw/zinc/08/53/71/990085371.db2.gz CTKIBWPAFOFZBW-UHFFFAOYSA-N -1 0 331.343 3.573 20 0 EHADRM CC(C)(C)c1ccc(NC[C@H](O)COc2ccc(C(=O)[O-])cc2)cc1 ZINC001590493291 990095570 /nfs/dbraw/zinc/09/55/70/990095570.db2.gz IZLNGOJODNYRSM-KRWDZBQOSA-N -1 0 343.423 3.534 20 0 EHADRM CN(C(=O)C1(CCF)CC1)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001597996542 990104170 /nfs/dbraw/zinc/10/41/70/990104170.db2.gz LYZJMAYDGVHMFT-GFCCVEGCSA-N -1 0 348.201 3.717 20 0 EHADRM CC(C)(C)c1cccc(NC(=O)c2ccc(/C=C\C(=O)[O-])o2)c1O ZINC001590498860 990110336 /nfs/dbraw/zinc/11/03/36/990110336.db2.gz LNIDOPLTBZWLMC-NTMALXAHSA-N -1 0 329.352 3.633 20 0 EHADRM CC(C)(C)c1ccccc1OCC(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC001590505226 990119342 /nfs/dbraw/zinc/11/93/42/990119342.db2.gz GZSQVJNEFYYJCD-SFHVURJKSA-N -1 0 342.391 3.732 20 0 EHADRM CC(C)(C)c1ccnc(S[C@@H](Cc2ccc(F)cc2)C(=O)[O-])n1 ZINC001590515269 990124399 /nfs/dbraw/zinc/12/43/99/990124399.db2.gz BPWXFMDHEDDJER-ZDUSSCGKSA-N -1 0 334.416 3.701 20 0 EHADRM CC(C)(C)c1csc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)n1 ZINC001590533132 990145406 /nfs/dbraw/zinc/14/54/06/990145406.db2.gz PKFSLNYRDDUZEG-QWHCGFSZSA-N -1 0 344.436 3.881 20 0 EHADRM CN(C(=O)CC(C)(F)F)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598006854 990161744 /nfs/dbraw/zinc/16/17/44/990161744.db2.gz BJZLEVBZQRRYDO-NSHDSACASA-N -1 0 340.153 3.623 20 0 EHADRM CN(C(=O)CCSCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001598017462 990194807 /nfs/dbraw/zinc/19/48/07/990194807.db2.gz CECZSYGCCYBKTA-UHFFFAOYSA-N -1 0 329.421 3.671 20 0 EHADRM CC(C)(C)c1nnc(CNc2cc3ccccc3c(C(=O)[O-])c2)o1 ZINC001590565613 990203026 /nfs/dbraw/zinc/20/30/26/990203026.db2.gz LFHQHNNGQNXREQ-UHFFFAOYSA-N -1 0 325.368 3.831 20 0 EHADRM CC(C)(C)c1ncsc1C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC001590573276 990211419 /nfs/dbraw/zinc/21/14/19/990211419.db2.gz PNNYTFYLNAEVQM-GFCCVEGCSA-N -1 0 338.473 3.594 20 0 EHADRM CC(C)(C)c1n[nH]c(S[C@H](C(=O)[O-])c2ccccc2Cl)n1 ZINC001590574712 990215261 /nfs/dbraw/zinc/21/52/61/990215261.db2.gz KUPOKSUSXFNDHA-JTQLQIEISA-N -1 0 325.821 3.674 20 0 EHADRM CC(C)(C)n1ccc(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)n1 ZINC001590599624 990253548 /nfs/dbraw/zinc/25/35/48/990253548.db2.gz FZZYIRYSHHUVKY-UHFFFAOYSA-N -1 0 343.408 3.803 20 0 EHADRM CN(C(=O)NC1CC(CC(=O)[O-])C1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC001598049590 990298452 /nfs/dbraw/zinc/29/84/52/990298452.db2.gz UXNLHCGEFCQCEP-DQVOVIAYSA-N -1 0 344.455 3.608 20 0 EHADRM CN(C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)c1cccc(O)c1 ZINC001598057022 990321971 /nfs/dbraw/zinc/32/19/71/990321971.db2.gz ZRLTTXNXBAFLKY-UHFFFAOYSA-N -1 0 338.722 3.551 20 0 EHADRM CN(C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)C1Cc2ccccc2C1 ZINC001598060246 990328207 /nfs/dbraw/zinc/32/82/07/990328207.db2.gz KSNLKUFFFMKKOG-UHFFFAOYSA-N -1 0 344.798 3.669 20 0 EHADRM CN(C(=O)Nc1cccc(CC(=O)[O-])n1)C1CCC(C(C)(C)C)CC1 ZINC001598061487 990334061 /nfs/dbraw/zinc/33/40/61/990334061.db2.gz ICRNYFNKAKXONV-UHFFFAOYSA-N -1 0 347.459 3.777 20 0 EHADRM CN(C(=O)OC(C)(C)C)c1ccc(N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001598066471 990351191 /nfs/dbraw/zinc/35/11/91/990351191.db2.gz GHJMHUUVPOZMSW-OCCSQVGLSA-N -1 0 334.416 3.723 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])n1C)c1ccc(-c2ccccc2)cc1 ZINC001598083392 990410525 /nfs/dbraw/zinc/41/05/25/990410525.db2.gz WKERIMXTSHWLBS-UHFFFAOYSA-N -1 0 334.375 3.667 20 0 EHADRM CN(C(=O)c1cccc(C(=O)[O-])n1)c1ccc2c(c1)oc1ccccc12 ZINC001598089010 990429516 /nfs/dbraw/zinc/42/95/16/990429516.db2.gz LMZPOXXHXIBSCD-UHFFFAOYSA-N -1 0 346.342 3.956 20 0 EHADRM CC(C)(CNC(=O)CC1(CSc2ccccc2)CC1)CC(=O)[O-] ZINC001590708490 990460523 /nfs/dbraw/zinc/46/05/23/990460523.db2.gz MDCVSKVZRCVKON-UHFFFAOYSA-N -1 0 335.469 3.566 20 0 EHADRM CC(C)(CNC(=O)Nc1cc(C(=O)[O-])cc2cccnc21)C1CCC1 ZINC001590727204 990525772 /nfs/dbraw/zinc/52/57/72/990525772.db2.gz WGFNAIGCZDXOHZ-UHFFFAOYSA-N -1 0 341.411 3.881 20 0 EHADRM CN(C)C(=O)c1cccc(CSCc2cc(C(=O)[O-])ccc2F)c1 ZINC001598157239 990649929 /nfs/dbraw/zinc/64/99/29/990649929.db2.gz OFFZWJXLHWNRFI-UHFFFAOYSA-N -1 0 347.411 3.659 20 0 EHADRM CC(C)(Cc1ccc(O)cc1)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001590821977 990661265 /nfs/dbraw/zinc/66/12/65/990661265.db2.gz NDMRGICNICWVFW-UHFFFAOYSA-N -1 0 347.798 3.951 20 0 EHADRM CC(C)(c1noc(C23CC(C(=O)[O-])(C2)C3)n1)c1ccc(Cl)cc1 ZINC001590908075 990874533 /nfs/dbraw/zinc/87/45/33/990874533.db2.gz AFZDXPMLIJSVNJ-UHFFFAOYSA-N -1 0 332.787 3.555 20 0 EHADRM CC(C)(c1noc(-c2ccc(OCC(=O)[O-])cc2)n1)c1ccccc1 ZINC001590908556 990876034 /nfs/dbraw/zinc/87/60/34/990876034.db2.gz HRHWYMUIYGTDBG-UHFFFAOYSA-N -1 0 338.363 3.526 20 0 EHADRM CC(C)=CCC[C@@H](C)CC(=O)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001590915591 990904254 /nfs/dbraw/zinc/90/42/54/990904254.db2.gz XXVIUIMDJABRPB-OAHLLOKOSA-N -1 0 345.439 3.878 20 0 EHADRM CC(C)=CCC[C@H](C)CC(=O)Nc1c2cccnc2n(C)c1C(=O)[O-] ZINC001590922279 990919054 /nfs/dbraw/zinc/91/90/54/990919054.db2.gz WRIMJVKDDKAZQT-ZDUSSCGKSA-N -1 0 343.427 3.983 20 0 EHADRM CC(C)=CCOc1cccc(CC(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC001590927149 990930679 /nfs/dbraw/zinc/93/06/79/990930679.db2.gz SXTJFMVNOHKADS-UHFFFAOYSA-N -1 0 345.420 3.973 20 0 EHADRM CC(C)[C@H](C(=O)Nc1cccc(C(=O)[O-])c1Cl)c1cccnc1 ZINC001590957363 991039869 /nfs/dbraw/zinc/03/98/69/991039869.db2.gz SNVIHLFSKZLFNI-AWEZNQCLSA-N -1 0 332.787 3.812 20 0 EHADRM CC(C)[C@@H](C(=O)NC[C@H](CC1CCCC1)C(=O)[O-])c1ccc(F)cc1 ZINC001590957721 991042451 /nfs/dbraw/zinc/04/24/51/991042451.db2.gz QEJORLUFJUMQKO-FUHWJXTLSA-N -1 0 349.446 3.963 20 0 EHADRM COc1cccc2c1CC[C@H](Nc1ccc3c(C(=O)[O-])c[nH]c3c1)C2 ZINC001599689753 991048687 /nfs/dbraw/zinc/04/86/87/991048687.db2.gz MMFHRUJBXFLRFT-ZDUSSCGKSA-N -1 0 336.391 3.844 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)OC1CCC(CC(=O)[O-])CC1 ZINC001599698044 991177159 /nfs/dbraw/zinc/17/71/59/991177159.db2.gz KVJYLKLXUCRVQS-QBFSEMIESA-N -1 0 332.396 3.675 20 0 EHADRM CC(C)[C@H](CNC(=O)c1cncc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001590988801 991189675 /nfs/dbraw/zinc/18/96/75/991189675.db2.gz CNBNYGZTISGQIU-INIZCTEOSA-N -1 0 346.814 3.603 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)/C=C/c1ccc2[nH]ccc2c1 ZINC001598293809 991212367 /nfs/dbraw/zinc/21/23/67/991212367.db2.gz QLAKXRSHFSDQKV-XBXARRHUSA-N -1 0 349.390 3.584 20 0 EHADRM COc1ccccc1C1(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)CC1 ZINC001599702769 991245740 /nfs/dbraw/zinc/24/57/40/991245740.db2.gz RAOJPKXWPPIWIE-ZDUSSCGKSA-N -1 0 340.375 3.729 20 0 EHADRM CC(C)[C@@H](NC(=O)CSc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001591001862 991260673 /nfs/dbraw/zinc/26/06/73/991260673.db2.gz JCQHSHYDDQTQMU-GOSISDBHSA-N -1 0 343.448 3.990 20 0 EHADRM COc1ccccc1C1(c2noc([C@@H]3CCC[C@H](C(=O)[O-])C3)n2)CC1 ZINC001599703932 991263657 /nfs/dbraw/zinc/26/36/57/991263657.db2.gz MYVXCAWFNFCTPG-OLZOCXBDSA-N -1 0 342.395 3.517 20 0 EHADRM COc1ccccc1CC(C)(C)C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001599704026 991265543 /nfs/dbraw/zinc/26/55/43/991265543.db2.gz OLWDTYUMFADNHI-UHFFFAOYSA-N -1 0 341.407 3.909 20 0 EHADRM CC(C)C(NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])C(C)C ZINC001591008052 991275849 /nfs/dbraw/zinc/27/58/49/991275849.db2.gz UUGWLMXYFMVIQE-INIZCTEOSA-N -1 0 334.460 3.818 20 0 EHADRM CC(C)[C@H](NC(=S)NCCCC(=O)[O-])c1ccc(Cl)cc1F ZINC001591023869 991307197 /nfs/dbraw/zinc/30/71/97/991307197.db2.gz AKMJFSFTOCXYRL-AWEZNQCLSA-N -1 0 346.855 3.505 20 0 EHADRM COc1ccccc1CN(OC)[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001599711334 991375343 /nfs/dbraw/zinc/37/53/43/991375343.db2.gz SMFDBHLERXLQBZ-MRXNPFEDSA-N -1 0 335.787 3.538 20 0 EHADRM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001591057770 991470309 /nfs/dbraw/zinc/47/03/09/991470309.db2.gz JAMDFXTWYFEEJK-LIRRHRJNSA-N -1 0 330.428 3.606 20 0 EHADRM CC(C)C1(C)CCN(C(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)CC1 ZINC001591062214 991507028 /nfs/dbraw/zinc/50/70/28/991507028.db2.gz UGWPFSRNRWNSCC-JXFKEZNVSA-N -1 0 329.440 3.530 20 0 EHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)CC1 ZINC001591080710 991585835 /nfs/dbraw/zinc/58/58/35/991585835.db2.gz BKMHBYMRZJAIMB-BBWFWOEESA-N -1 0 338.492 3.878 20 0 EHADRM CC(C)[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC001591080769 991586966 /nfs/dbraw/zinc/58/69/66/991586966.db2.gz CVMBVZNNTQOMFH-GHMZBOCLSA-N -1 0 340.370 3.999 20 0 EHADRM CC(C)[C@H]1CCC[C@@H](NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)C1 ZINC001591081080 991590339 /nfs/dbraw/zinc/59/03/39/991590339.db2.gz GOQCCUBBQYWNHZ-LSDHHAIUSA-N -1 0 342.439 3.671 20 0 EHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)NCCCCCCC(=O)[O-])CC1 ZINC001591082549 991599657 /nfs/dbraw/zinc/59/96/57/991599657.db2.gz VJOMJJULAUNCTB-CVEARBPZSA-N -1 0 326.481 3.926 20 0 EHADRM CC(C)[C@H]1CCCCN1C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001591088383 991621643 /nfs/dbraw/zinc/62/16/43/991621643.db2.gz HOTGOMYKRFAHGK-MRXNPFEDSA-N -1 0 329.400 3.909 20 0 EHADRM CC(C)[C@H]1CN(C(=O)Nc2cc(C(=O)[O-])n(C)c2)c2ccccc21 ZINC001591093455 991658484 /nfs/dbraw/zinc/65/84/84/991658484.db2.gz VHEIYLJCFSFNLL-CQSZACIVSA-N -1 0 327.384 3.515 20 0 EHADRM CC(C)[C@H]1N(C(=O)c2cccc(CC(=O)[O-])c2)CC12CCCCC2 ZINC001591100121 991719905 /nfs/dbraw/zinc/71/99/05/991719905.db2.gz STLWVLPEPNRFHT-GOSISDBHSA-N -1 0 329.440 3.745 20 0 EHADRM CC(C)[C@@H]1OCCC[C@H]1CNc1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001591105584 991734467 /nfs/dbraw/zinc/73/44/67/991734467.db2.gz VFJDIWGAUBAPLK-HZMBPMFUSA-N -1 0 346.349 3.662 20 0 EHADRM CC(C)C[C@H](C(=O)NCc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC001591117503 991776235 /nfs/dbraw/zinc/77/62/35/991776235.db2.gz CDVLZZXDCUPPJW-HNNXBMFYSA-N -1 0 331.437 3.892 20 0 EHADRM COc1nccc2cc(NCc3ccc(C(=O)[O-])cc3F)ccc21 ZINC001599736558 991783587 /nfs/dbraw/zinc/78/35/87/991783587.db2.gz ANMGZQHOMZZQQJ-UHFFFAOYSA-N -1 0 326.327 3.693 20 0 EHADRM CC(C)C[C@H](C)OC(=O)N1CCCC[C@@H]1c1ccc(C(=O)[O-])n1C ZINC001591138456 991858169 /nfs/dbraw/zinc/85/81/69/991858169.db2.gz YAWSGUIWRCRVPJ-DZGCQCFKSA-N -1 0 336.432 3.822 20 0 EHADRM CC(C)C[C@@H](C)OC(=O)N1CCCC[C@@H]1c1ccc(C(=O)[O-])n1C ZINC001591138460 991858323 /nfs/dbraw/zinc/85/83/23/991858323.db2.gz YAWSGUIWRCRVPJ-UKRRQHHQSA-N -1 0 336.432 3.822 20 0 EHADRM COc1nsc(CN(C)[C@H](C)c2cc3ccccc3o2)c1C(=O)[O-] ZINC001599741450 991863633 /nfs/dbraw/zinc/86/36/33/991863633.db2.gz WZKYELASWOXYQH-SNVBAGLBSA-N -1 0 346.408 3.789 20 0 EHADRM CN(C[C@@H]1CC1(C)C)C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001598447362 991887871 /nfs/dbraw/zinc/88/78/71/991887871.db2.gz CGJVBWYQEALCHQ-QMMMGPOBSA-N -1 0 328.771 3.687 20 0 EHADRM CC(C)C[C@@H](CNC(=O)c1cc(Cl)cc2ccccc21)C(=O)[O-] ZINC001591153751 991898774 /nfs/dbraw/zinc/89/87/74/991898774.db2.gz PQCQLQQNJAXFMA-ZDUSSCGKSA-N -1 0 333.815 3.970 20 0 EHADRM CC(C)C[C@H](NCc1ccc(Cl)c(C(=O)[O-])n1)c1ccccn1 ZINC001591184659 991988802 /nfs/dbraw/zinc/98/88/02/991988802.db2.gz XFBQKILTOORJDY-HNNXBMFYSA-N -1 0 333.819 3.705 20 0 EHADRM CC(C)C[C@@H](OC(=O)[C@H](C)CC(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC001591188194 991993271 /nfs/dbraw/zinc/99/32/71/991993271.db2.gz LQHZCRYICPVGEY-IAQYHMDHSA-N -1 0 340.803 3.591 20 0 EHADRM CC(C)CC1CCN(Cc2oc(Br)cc2C(=O)[O-])CC1 ZINC001591211117 992051526 /nfs/dbraw/zinc/05/15/26/992051526.db2.gz QTCVUKZCENXDIC-UHFFFAOYSA-N -1 0 344.249 3.998 20 0 EHADRM CC(C)CCO[C@@H]1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC001591259192 992160785 /nfs/dbraw/zinc/16/07/85/992160785.db2.gz FOSZWCGIZAFGRN-HZPDHXFCSA-N -1 0 325.836 3.603 20 0 EHADRM CC(C)CCOc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2N)cc1 ZINC001591261080 992171640 /nfs/dbraw/zinc/17/16/40/992171640.db2.gz UEJAVNCFDLJVIG-UHFFFAOYSA-N -1 0 342.395 3.644 20 0 EHADRM CC(C)CCSCC(=O)Nc1ccc(OC(C)C)cc1C(=O)[O-] ZINC001591266707 992181567 /nfs/dbraw/zinc/18/15/67/992181567.db2.gz PYXYVGWHPGKEPC-UHFFFAOYSA-N -1 0 339.457 3.890 20 0 EHADRM CC(C)CCc1noc(CNc2cc(Cl)c(F)c(C(=O)[O-])c2)n1 ZINC001591269758 992185767 /nfs/dbraw/zinc/18/57/67/992185767.db2.gz HCPMMZCRJHKJOW-UHFFFAOYSA-N -1 0 341.770 3.761 20 0 EHADRM CC(C)CN(C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)C(C)(C)C(=O)[O-] ZINC001591281387 992214443 /nfs/dbraw/zinc/21/44/43/992214443.db2.gz NDSXXACTSWIXPB-NWDGAFQWSA-N -1 0 337.382 3.703 20 0 EHADRM CC(C)CN(C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)C(C)(C)C(=O)[O-] ZINC001591281388 992214645 /nfs/dbraw/zinc/21/46/45/992214645.db2.gz NDSXXACTSWIXPB-RYUDHWBXSA-N -1 0 337.382 3.703 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)Cc1c(F)cccc1Cl ZINC001591309178 992264803 /nfs/dbraw/zinc/26/48/03/992264803.db2.gz PBSDBUHZWSDEQQ-UHFFFAOYSA-N -1 0 343.826 3.617 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CCCC(=O)c1ccccc1 ZINC001591309420 992266525 /nfs/dbraw/zinc/26/65/25/992266525.db2.gz XGAXXAZQYWVVJP-UHFFFAOYSA-N -1 0 347.455 3.635 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])c1nc(Cl)nc2ccccc21 ZINC001591314579 992282063 /nfs/dbraw/zinc/28/20/63/992282063.db2.gz WSIIFQGOUORMEL-UHFFFAOYSA-N -1 0 335.835 3.856 20 0 EHADRM CS[C@H](C)CCC(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC001599782602 992385073 /nfs/dbraw/zinc/38/50/73/992385073.db2.gz GJDIXKWLVPHDME-SNVBAGLBSA-N -1 0 337.466 3.747 20 0 EHADRM CC(C)CNC(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC001591373683 992408324 /nfs/dbraw/zinc/40/83/24/992408324.db2.gz FHPLYNMCSFQUSG-UHFFFAOYSA-N -1 0 342.395 3.741 20 0 EHADRM CC(C)COc1cccc(NC(=O)N[C@H](CC(=O)[O-])C2CCCC2)c1 ZINC001591401843 992478254 /nfs/dbraw/zinc/47/82/54/992478254.db2.gz CXBQDLVKQNRBAO-QGZVFWFLSA-N -1 0 348.443 3.876 20 0 EHADRM CC(C)COc1cccc(NC(=O)/C=C/c2cc(C(=O)[O-])co2)c1 ZINC001591402250 992483069 /nfs/dbraw/zinc/48/30/69/992483069.db2.gz WPTLVZDENINFQT-VOTSOKGWSA-N -1 0 329.352 3.665 20 0 EHADRM CC(C)COc1ccccc1C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC001591410089 992487311 /nfs/dbraw/zinc/48/73/11/992487311.db2.gz QLUIIYDPUCAHMK-UHFFFAOYSA-N -1 0 346.354 3.707 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C[C@@H]1C[C@H]1Cc1ccccc1 ZINC001598509692 992554384 /nfs/dbraw/zinc/55/43/84/992554384.db2.gz AXPQKQDACPJGAG-MOPGFXCFSA-N -1 0 337.419 3.612 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)OCc2nc(C(=O)[O-])cs2)c1 ZINC001591488280 992616054 /nfs/dbraw/zinc/61/60/54/992616054.db2.gz FJSROTVHKYVRCJ-LBPRGKRZSA-N -1 0 347.436 3.887 20 0 EHADRM CN(Cc1ccc(F)c(Br)c1)c1ccccc1C(=O)[O-] ZINC001598517454 992634836 /nfs/dbraw/zinc/63/48/36/992634836.db2.gz LGMIVDKZUINJFX-UHFFFAOYSA-N -1 0 338.176 3.923 20 0 EHADRM CN(Cc1ccc(OC(F)F)cc1)Cc1cc(C(=O)[O-])ccc1F ZINC001598519708 992664635 /nfs/dbraw/zinc/66/46/35/992664635.db2.gz AVPRLWDMEDIJBB-UHFFFAOYSA-N -1 0 339.313 3.757 20 0 EHADRM CN(Cc1ccncc1F)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598531221 992783147 /nfs/dbraw/zinc/78/31/47/992783147.db2.gz CBCCWSLCFPXPDS-AWEZNQCLSA-N -1 0 343.185 3.785 20 0 EHADRM CN(Cc1csc2ccccc12)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001598535886 992839352 /nfs/dbraw/zinc/83/93/52/992839352.db2.gz DPLBRWVPYSRMGG-UHFFFAOYSA-N -1 0 341.392 3.658 20 0 EHADRM CN(Cc1nc(C(=O)[O-])cs1)Cc1cccc(Cl)c1Cl ZINC001598536331 992842941 /nfs/dbraw/zinc/84/29/41/992842941.db2.gz DSRAKYNFYBTSHY-UHFFFAOYSA-N -1 0 331.224 3.780 20 0 EHADRM CN(c1ccccc1)c1ccc(C(=O)Nc2ccccc2C(=O)[O-])cn1 ZINC001598544912 992934466 /nfs/dbraw/zinc/93/44/66/992934466.db2.gz DAPICRXWHBGRKB-UHFFFAOYSA-N -1 0 347.374 3.800 20 0 EHADRM CN1CCCN(Cc2cc(C(=O)[O-])ccc2F)c2ccc(F)cc21 ZINC001598600869 993569900 /nfs/dbraw/zinc/56/99/00/993569900.db2.gz BZSPSHPQCFNEIL-UHFFFAOYSA-N -1 0 332.350 3.510 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@H]1CC(C)(C)C)c1ncc(C(=O)[O-])s1 ZINC001593061810 993571294 /nfs/dbraw/zinc/57/12/94/993571294.db2.gz DLZHPKDZKQCSBG-MNOVXSKESA-N -1 0 339.461 3.513 20 0 EHADRM CN1CCCc2cc(COC(=O)CC3(CC(=O)[O-])CCCC3)ccc21 ZINC001598603952 993611984 /nfs/dbraw/zinc/61/19/84/993611984.db2.gz WXVDDDKAKXGCOC-UHFFFAOYSA-N -1 0 345.439 3.537 20 0 EHADRM COc1ccc(NC(=O)c2c(C)oc3ccccc32)c(C(=O)[O-])c1 ZINC001599593855 993723443 /nfs/dbraw/zinc/72/34/43/993723443.db2.gz NNLSWRRQDWPNOV-UHFFFAOYSA-N -1 0 325.320 3.700 20 0 EHADRM COc1ccc(NC(=O)c2cc(C)oc2C(F)(F)F)c(C(=O)[O-])c1 ZINC001599594231 993728016 /nfs/dbraw/zinc/72/80/16/993728016.db2.gz XSSBWKLTTSPVEV-UHFFFAOYSA-N -1 0 343.257 3.566 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])[nH]1)C(c1ccccc1)c1ccccc1 ZINC001593156869 993979347 /nfs/dbraw/zinc/97/93/47/993979347.db2.gz PYGUEKBPFGBVSN-CQSZACIVSA-N -1 0 348.402 3.663 20 0 EHADRM C[C@H](NC(=O)c1ccc(F)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593161252 993991816 /nfs/dbraw/zinc/99/18/16/993991816.db2.gz AEHWMVVWUKSYPT-SMDDNHRTSA-N -1 0 349.789 3.541 20 0 EHADRM CN1CCN(Cc2ccc(C(=O)[O-])c(F)c2)c2ccc(Cl)cc21 ZINC001598620232 993992942 /nfs/dbraw/zinc/99/29/42/993992942.db2.gz XLOBOWNHVOKHEM-UHFFFAOYSA-N -1 0 334.778 3.634 20 0 EHADRM C[C@H](NC(=O)c1ccc(Cl)cc1F)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593163792 994003247 /nfs/dbraw/zinc/00/32/47/994003247.db2.gz UHLJGQXSNWOZMB-XHDPSFHLSA-N -1 0 349.789 3.541 20 0 EHADRM C[C@@H](NC(=O)c1cccc(CC(=O)[O-])c1)c1cccc2ccccc21 ZINC001593175718 994049154 /nfs/dbraw/zinc/04/91/54/994049154.db2.gz XWTLRVQTLKGUHY-CQSZACIVSA-N -1 0 333.387 3.958 20 0 EHADRM COc1ccc2[nH]c(NC(=O)CC3(CC(=O)[O-])CCCC3)cc2c1 ZINC001599623464 994116131 /nfs/dbraw/zinc/11/61/31/994116131.db2.gz CIHPKSBMCZEARI-UHFFFAOYSA-N -1 0 330.384 3.540 20 0 EHADRM CSc1ccc(NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])cc1 ZINC000339891858 1015838937 /nfs/dbraw/zinc/83/89/37/1015838937.db2.gz KZYOXQAJSDZVFC-UHFFFAOYSA-N -1 0 343.383 3.691 20 0 EHADRM COc1ccc2cc(C(=O)N3[C@H](C)CC(C(=O)[O-])C[C@H]3C)sc2c1 ZINC001599633429 994252500 /nfs/dbraw/zinc/25/25/00/994252500.db2.gz JPRHNTJPDKNBLI-GHMZBOCLSA-N -1 0 347.436 3.624 20 0 EHADRM COc1ccc2cc(C(=O)N[C@@]3(C(=O)[O-])CC[C@H](C)CC3)sc2c1 ZINC001599636253 994292500 /nfs/dbraw/zinc/29/25/00/994292500.db2.gz KGLKFWAAOKFUQW-CKSWESSHSA-N -1 0 347.436 3.673 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)N(CC(C)C)C(C)(C)C(=O)[O-])c1 ZINC001599654667 994558859 /nfs/dbraw/zinc/55/88/59/994558859.db2.gz WULHUFFSHAXEHG-AWEZNQCLSA-N -1 0 335.444 3.537 20 0 EHADRM COc1cccc([C@@H](C)N[C@H](C(=O)[O-])c2c(F)cccc2Cl)c1 ZINC001599656562 994590910 /nfs/dbraw/zinc/59/09/10/994590910.db2.gz GGIFADKIPKLEHZ-HWPZZCPQSA-N -1 0 337.778 3.964 20 0 EHADRM C[C@H](NCc1nsc2ccccc12)c1ccc(OCC(=O)[O-])cc1 ZINC001593317842 994823443 /nfs/dbraw/zinc/82/34/43/994823443.db2.gz VAAPKZRWKBCWCJ-LBPRGKRZSA-N -1 0 342.420 3.611 20 0 EHADRM CNc1ccc(Cl)c(C(=O)N[C@H](C(=O)[O-])c2ccc(C)c(C)c2)c1 ZINC001598679123 994897396 /nfs/dbraw/zinc/89/73/96/994897396.db2.gz CBUIRMRJVZKMJN-INIZCTEOSA-N -1 0 346.814 3.554 20 0 EHADRM COc1cccc(Cl)c1CNC(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001599677068 994914327 /nfs/dbraw/zinc/91/43/27/994914327.db2.gz QWJFQBKKKPCUGF-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM C[C@H](Nc1cc(-c2ccccc2)ncn1)c1ccc(OCC(=O)[O-])cc1 ZINC001593359354 995015546 /nfs/dbraw/zinc/01/55/46/995015546.db2.gz CETHSKMAICEUNZ-AWEZNQCLSA-N -1 0 349.390 3.780 20 0 EHADRM C[C@@H](Nc1cc(C(=O)[O-])ncn1)[C@H](C)c1ccccc1C(F)(F)F ZINC001593359467 995018048 /nfs/dbraw/zinc/01/80/48/995018048.db2.gz FXRLTQHEEDBWJX-VHSXEESVSA-N -1 0 339.317 3.798 20 0 EHADRM C[C@@H](Nc1cccc([C@@H]2CCC(=O)N2)c1)c1cc(C(=O)[O-])cs1 ZINC001593366096 995047929 /nfs/dbraw/zinc/04/79/29/995047929.db2.gz RCAHDAPMVKCBNA-YGRLFVJLSA-N -1 0 330.409 3.571 20 0 EHADRM C[C@H](Nc1ccccc1COCc1ccccc1)[C@H]1C[C@@H]1C(=O)[O-] ZINC001593367707 995059837 /nfs/dbraw/zinc/05/98/37/995059837.db2.gz QPIGUHSEUVNRKO-QGTPRVQTSA-N -1 0 325.408 3.925 20 0 EHADRM C[C@H](Nc1cnc(C(=O)[O-])cn1)[C@@H](C)c1ccccc1C(F)(F)F ZINC001593368409 995063649 /nfs/dbraw/zinc/06/36/49/995063649.db2.gz XTVNMPLKUUCGJA-ZJUUUORDSA-N -1 0 339.317 3.798 20 0 EHADRM COC(=O)[C@@H](SCc1ccccc1C(=O)[O-])c1ccccc1F ZINC001598712800 995368008 /nfs/dbraw/zinc/36/80/08/995368008.db2.gz RXHGRUSXTHJJNO-HNNXBMFYSA-N -1 0 334.368 3.671 20 0 EHADRM COC(=O)[C@H](Nc1ccc(F)c(Cl)c1)c1cccc(C(=O)[O-])c1 ZINC001598714950 995393769 /nfs/dbraw/zinc/39/37/69/995393769.db2.gz WHHZQQKXLCUZNS-CQSZACIVSA-N -1 0 337.734 3.504 20 0 EHADRM C[C@@H](OC(=O)C(C)(C)CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC001593484138 995440223 /nfs/dbraw/zinc/44/02/23/995440223.db2.gz FBRIXTRQDNCLAY-SECBINFHSA-N -1 0 334.290 3.690 20 0 EHADRM C[C@@H](OC(=O)C(F)(F)c1c(F)cccc1F)c1ccc(C(=O)[O-])o1 ZINC001593491703 995467101 /nfs/dbraw/zinc/46/71/01/995467101.db2.gz VKFXRWDCUVQFQZ-SSDOTTSWSA-N -1 0 346.232 3.652 20 0 EHADRM C[C@H](OC(=O)/C=C/c1ccc2ccccc2n1)c1cc(C(=O)[O-])co1 ZINC001593514879 995534624 /nfs/dbraw/zinc/53/46/24/995534624.db2.gz LCTUYCINROIAOJ-BCPZQOPPSA-N -1 0 337.331 3.844 20 0 EHADRM C[C@H](OC(=O)/C=C\c1ccc2[nH]ccc2c1)c1cc(C(=O)[O-])co1 ZINC001593514945 995535854 /nfs/dbraw/zinc/53/58/54/995535854.db2.gz LWXRUKISGRUCBS-MZBZXASESA-N -1 0 325.320 3.777 20 0 EHADRM C[C@@H](OC(=O)c1cn(C)nc1C1CCCCC1)c1cc(C(=O)[O-])co1 ZINC001593598191 995743639 /nfs/dbraw/zinc/74/36/39/995743639.db2.gz XCHMUOHFWAEYLI-LLVKDONJSA-N -1 0 346.383 3.677 20 0 EHADRM CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)c2cscc2C(=O)[O-])cc1 ZINC001593599459 995747306 /nfs/dbraw/zinc/74/73/06/995747306.db2.gz HTDQHKNFPCMMNH-LLVKDONJSA-N -1 0 346.404 3.998 20 0 EHADRM C[C@@H](OC1CCCCC1)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC001593602784 995764738 /nfs/dbraw/zinc/76/47/38/995764738.db2.gz KFTAEWWTTNYWTQ-SNVBAGLBSA-N -1 0 325.792 3.715 20 0 EHADRM C[C@H](OC1CCCCC1)C(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-] ZINC001593603420 995770044 /nfs/dbraw/zinc/77/00/44/995770044.db2.gz VPMRRKBLJHOMQF-VIFPVBQESA-N -1 0 343.782 3.854 20 0 EHADRM C[C@@H](OCc1ccc(F)cc1)c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC001593608087 995792295 /nfs/dbraw/zinc/79/22/95/995792295.db2.gz QBIQJTIYASNBGF-LLVKDONJSA-N -1 0 342.326 3.852 20 0 EHADRM C[C@H](Oc1ccc(C(=O)NC(C)(C)CC(=O)[O-])cc1)c1ccccc1 ZINC001593612639 995816597 /nfs/dbraw/zinc/81/65/97/995816597.db2.gz XOBJKJBFTPJAPX-AWEZNQCLSA-N -1 0 341.407 3.810 20 0 EHADRM C[C@@H](Oc1ccccc1C[NH2+]CC1(C(F)(F)F)CCCC1)C(=O)[O-] ZINC001593645155 995970981 /nfs/dbraw/zinc/97/09/81/995970981.db2.gz HYEVLVFKXBKQDC-GFCCVEGCSA-N -1 0 345.361 3.751 20 0 EHADRM C[C@H](Oc1ccccc1NC(=O)c1cc(C(=O)[O-])co1)C(F)(F)F ZINC001593651310 996011079 /nfs/dbraw/zinc/01/10/79/996011079.db2.gz KFHXITZOQUOPOO-QMMMGPOBSA-N -1 0 343.257 3.560 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000327232560 1015994926 /nfs/dbraw/zinc/99/49/26/1015994926.db2.gz LCGSBHSGBHMKBV-IBGZPJMESA-N -1 0 340.379 3.950 20 0 EHADRM C[C@H](S[C@@H](C)c1nc(-c2ccccc2)no1)c1nc(C(=O)[O-])co1 ZINC001593658511 996032487 /nfs/dbraw/zinc/03/24/87/996032487.db2.gz ICXAAWFISXLMRS-UWVGGRQHSA-N -1 0 345.380 3.978 20 0 EHADRM C[C@H](SCc1ccccc1OC(F)F)c1nc(C(=O)[O-])co1 ZINC001593663976 996047693 /nfs/dbraw/zinc/04/76/93/996047693.db2.gz VKVDLNJQABQALW-QMMMGPOBSA-N -1 0 329.324 3.969 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N1CC2(CCC2)[C@H]1C1CC1)C(=O)[O-] ZINC001593668293 996062680 /nfs/dbraw/zinc/06/26/80/996062680.db2.gz PPGQUUPGTCLYRQ-MLGOLLRUSA-N -1 0 345.464 3.657 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)N([C@H](C)C(=O)[O-])C1CCC1 ZINC001593673211 996083018 /nfs/dbraw/zinc/08/30/18/996083018.db2.gz HWJXIKPVVWQEOW-GHMZBOCLSA-N -1 0 341.860 3.675 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)OCc1cccc(F)c1)C(=O)[O-] ZINC001593673486 996085617 /nfs/dbraw/zinc/08/56/17/996085617.db2.gz LMKYQWADONKIHO-NSHDSACASA-N -1 0 334.368 3.748 20 0 EHADRM C[C@H](Sc1nc(C(F)(F)F)ccc1C(=O)[O-])C(=O)C(C)(C)C ZINC001593679941 996104543 /nfs/dbraw/zinc/10/45/43/996104543.db2.gz QYOLTVJCXCAZIM-ZETCQYMHSA-N -1 0 335.347 3.894 20 0 EHADRM C[C@H](Sc1nncn1CCc1cccs1)c1ccc(C(=O)[O-])o1 ZINC001593685180 996112829 /nfs/dbraw/zinc/11/28/29/996112829.db2.gz MHFXYYKXQKFWMD-JTQLQIEISA-N -1 0 349.437 3.727 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ccc(C(=O)[O-])n1C ZINC001593694492 996150504 /nfs/dbraw/zinc/15/05/04/996150504.db2.gz WOGBNFBCFJCVRE-RYUDHWBXSA-N -1 0 348.830 3.641 20 0 EHADRM C[C@@H](c1cccc(Cl)c1)N(C)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001593699761 996172745 /nfs/dbraw/zinc/17/27/45/996172745.db2.gz XTICDSNZBMNHRX-LBPRGKRZSA-N -1 0 346.814 3.670 20 0 EHADRM C[C@@H](c1ccccc1)N(C(=O)/C=C\c1ccc(C(=O)[O-])o1)C1CC1 ZINC001593705086 996187806 /nfs/dbraw/zinc/18/78/06/996187806.db2.gz GHKDIGJBLUOWDB-UKVQZPPCSA-N -1 0 325.364 3.743 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000683302560 1016015205 /nfs/dbraw/zinc/01/52/05/1016015205.db2.gz DSKUMLCQSIEWAC-IAGOWNOFSA-N -1 0 331.456 3.795 20 0 EHADRM C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001593707771 996203752 /nfs/dbraw/zinc/20/37/52/996203752.db2.gz ZTGUIJZTHLBBAB-GUYCJALGSA-N -1 0 339.395 3.580 20 0 EHADRM CCc1cc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)sc1-c1ccccc1 ZINC000655540551 1016022622 /nfs/dbraw/zinc/02/26/22/1016022622.db2.gz FQLJAXUMNVZISF-LJQANCHMSA-N -1 0 343.448 3.914 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)/C=C/c2ccc(F)c3ccccc23)C1 ZINC001593766856 996448890 /nfs/dbraw/zinc/44/88/90/996448890.db2.gz ZOPIKWCSBQHUNO-CSNYQSHPSA-N -1 0 341.382 3.705 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)N[C@@H](c2ccccc2)C2CCCC2)C1 ZINC001593769274 996455987 /nfs/dbraw/zinc/45/59/87/996455987.db2.gz RGGQGAXHARUDQC-PXNSSMCTSA-N -1 0 344.455 3.814 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@@H](c2ccccc2)C2CCCC2)C1 ZINC001593769271 996456057 /nfs/dbraw/zinc/45/60/57/996456057.db2.gz RGGQGAXHARUDQC-FXAWDEMLSA-N -1 0 344.455 3.814 20 0 EHADRM CC(F)(F)c1cc(F)ccc1NC(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001593771329 996464382 /nfs/dbraw/zinc/46/43/82/996464382.db2.gz ONIFRZZTXSMSSX-OAHLLOKOSA-N -1 0 344.333 3.656 20 0 EHADRM CC[C@@H](C)CS(=O)(=O)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000180759661 1016038370 /nfs/dbraw/zinc/03/83/70/1016038370.db2.gz CJSYIBDSRSXSGL-PELKAZGASA-N -1 0 345.333 3.534 20 0 EHADRM CC1(C)C(C)(C)C1(C)C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC001593831323 996575544 /nfs/dbraw/zinc/57/55/44/996575544.db2.gz WXVFUDURYAQCNL-UHFFFAOYSA-N -1 0 347.455 3.619 20 0 EHADRM CC1(C)[C@H](c2ccc(Cl)cc2)CCN1c1ccnc(C(=O)[O-])n1 ZINC001593836774 996593421 /nfs/dbraw/zinc/59/34/21/996593421.db2.gz ALPUHMPZJNQMQM-ZDUSSCGKSA-N -1 0 331.803 3.601 20 0 EHADRM CC1(C)CC(CC(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)C1 ZINC001593849120 996622516 /nfs/dbraw/zinc/62/25/16/996622516.db2.gz GVKBMSAUROIXKK-UHFFFAOYSA-N -1 0 339.382 3.594 20 0 EHADRM CC1(C)CC(NC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)CC(C)(C)C1 ZINC001593857298 996644794 /nfs/dbraw/zinc/64/47/94/996644794.db2.gz QMLXOQZKBLVSFG-KUHUBIRLSA-N -1 0 336.476 3.630 20 0 EHADRM CC1(C)CCC(=CC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)CC1 ZINC001593871343 996683582 /nfs/dbraw/zinc/68/35/82/996683582.db2.gz RWZIDWNVMBDKEU-UHFFFAOYSA-N -1 0 327.424 3.796 20 0 EHADRM CC1(C)CC[C@@H](CC(=O)Nc2cc(C(=O)[O-])ccc2Cl)OC1 ZINC001593875909 996696096 /nfs/dbraw/zinc/69/60/96/996696096.db2.gz HKWZDMTZFSIJNW-NSHDSACASA-N -1 0 325.792 3.572 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)[C@@H](c2ccccc2)C1 ZINC001593882007 996712133 /nfs/dbraw/zinc/71/21/33/996712133.db2.gz KLNKLLKTHGDLLV-BSDSXHPESA-N -1 0 343.467 3.966 20 0 EHADRM CC1(C)CCC[C@H](NC(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)C1 ZINC001593891748 996737815 /nfs/dbraw/zinc/73/78/15/996737815.db2.gz GHNZJLSWBVRAGD-LBPRGKRZSA-N -1 0 348.418 3.560 20 0 EHADRM CC1(C)CCC[C@](NC(=O)c2ccc3ccccc3c2O)(C(=O)[O-])C1 ZINC001593893234 996745817 /nfs/dbraw/zinc/74/58/17/996745817.db2.gz YRWZZHWDBWDJID-HXUWFJFHSA-N -1 0 341.407 3.699 20 0 EHADRM CC1(C)CCC[C@](NC(=O)c2csc(-c3ccco3)n2)(C(=O)[O-])C1 ZINC001593895984 996750329 /nfs/dbraw/zinc/75/03/29/996750329.db2.gz OCSDGXFIVBOXOH-QGZVFWFLSA-N -1 0 348.424 3.557 20 0 EHADRM CC1(C)CCC[C@@](O)(CNc2ncc(C(=O)[O-])cc2Cl)CC1 ZINC001593896793 996754996 /nfs/dbraw/zinc/75/49/96/996754996.db2.gz BQWOJKIQFJLJKK-INIZCTEOSA-N -1 0 326.824 3.567 20 0 EHADRM CC1(C)CCCC[C@H]1CC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC001593904325 996780755 /nfs/dbraw/zinc/78/07/55/996780755.db2.gz BDWZFRYOHZWQEK-YJBOKZPZSA-N -1 0 329.440 3.804 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCc1ncc(Cl)cc1Cl ZINC001599379331 996806295 /nfs/dbraw/zinc/80/62/95/996806295.db2.gz CWRXVXUBWATAFU-UHFFFAOYSA-N -1 0 328.151 3.674 20 0 EHADRM CC1(C)CCc2cccc(NC(=O)Cc3cccc(C(=O)[O-])c3)c2O1 ZINC001593916440 996818454 /nfs/dbraw/zinc/81/84/54/996818454.db2.gz RJOGNYJEYSMZAR-UHFFFAOYSA-N -1 0 339.391 3.670 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)/C=C/c2cc(C)c(C)cc2C)c1 ZINC001599488232 996891815 /nfs/dbraw/zinc/89/18/15/996891815.db2.gz VUNBLIHOUFOCQM-VMPITWQZSA-N -1 0 339.391 3.971 20 0 EHADRM CC1(C)CN(C(=O)Nc2cc(C(=O)[O-])ccc2F)[C@@H]1c1ccco1 ZINC001593934175 996895585 /nfs/dbraw/zinc/89/55/85/996895585.db2.gz ICZGRTUZNHDYDR-CQSZACIVSA-N -1 0 332.331 3.732 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@H](C)c2cc3ccccc3o2)c1 ZINC001599489784 996918287 /nfs/dbraw/zinc/91/82/87/996918287.db2.gz QCVHTLYAVPTQLM-LLVKDONJSA-N -1 0 339.347 3.882 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)c1 ZINC001599490292 996925760 /nfs/dbraw/zinc/92/57/60/996925760.db2.gz VYWDDDRLGIAJMN-DLBZAZTESA-N -1 0 339.391 3.752 20 0 EHADRM COc1ccc(C(=O)[O-])c(OCc2nc(Cl)ccc2Cl)c1 ZINC001599491846 996952848 /nfs/dbraw/zinc/95/28/48/996952848.db2.gz CQMJWPILIOZSCD-UHFFFAOYSA-N -1 0 328.151 3.674 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)c2ccc(C(F)(F)F)s2)c1 ZINC001599492240 996960382 /nfs/dbraw/zinc/96/03/82/996960382.db2.gz KJXXISXJHCOQMW-UHFFFAOYSA-N -1 0 346.282 3.693 20 0 EHADRM COCc1cc(SCc2ccccc2C(=O)[O-])nc(C(C)(C)C)n1 ZINC001599289574 997040616 /nfs/dbraw/zinc/04/06/16/997040616.db2.gz QWHQRPQROJNNQQ-UHFFFAOYSA-N -1 0 346.452 3.911 20 0 EHADRM COCc1cc(NCc2cccc(OC(C)(C)C)n2)cc(C(=O)[O-])c1 ZINC001599289820 997044670 /nfs/dbraw/zinc/04/46/70/997044670.db2.gz OTJGLMOQZOMWRA-UHFFFAOYSA-N -1 0 344.411 3.716 20 0 EHADRM COC[C@@H](SCC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)c1ccccc1 ZINC001599187613 997055968 /nfs/dbraw/zinc/05/59/68/997055968.db2.gz RVNARJUEMDUWDE-OAHLLOKOSA-N -1 0 347.436 3.633 20 0 EHADRM COCC1(C(=O)Nc2cccc3cc(C(=O)[O-])sc32)CCCC1 ZINC001599189409 997094546 /nfs/dbraw/zinc/09/45/46/997094546.db2.gz ZUMXJPMFLPRRTL-UHFFFAOYSA-N -1 0 333.409 3.745 20 0 EHADRM COCc1ccc(CN[C@@H](C(=O)[O-])c2c(F)cccc2Cl)cc1 ZINC001599293608 997099638 /nfs/dbraw/zinc/09/96/38/997099638.db2.gz KQJWOEIAGNFVSU-MRXNPFEDSA-N -1 0 337.778 3.541 20 0 EHADRM COCc1cccc(CC(=O)Nc2cc3ccccc3cc2C(=O)[O-])c1 ZINC001599295987 997142209 /nfs/dbraw/zinc/14/22/09/997142209.db2.gz XFQDKLGEZDSZIM-UHFFFAOYSA-N -1 0 349.386 3.866 20 0 EHADRM COCc1ccccc1CNC(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001599296507 997153396 /nfs/dbraw/zinc/15/33/96/997153396.db2.gz UMHFSFZODYJKOZ-UHFFFAOYSA-N -1 0 348.424 3.531 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1ccc2c(c1)CCC2 ZINC001599400638 997209178 /nfs/dbraw/zinc/20/91/78/997209178.db2.gz TVPHEZSADMOJDR-UXBLZVDNSA-N -1 0 338.359 3.501 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1ccc(C)cc1C ZINC001599400768 997210059 /nfs/dbraw/zinc/21/00/59/997210059.db2.gz UZABBVFGYDHGSR-RMKNXTFCSA-N -1 0 326.348 3.629 20 0 EHADRM COc1ccc([C@H](Cc2ccccc2)Nc2ncc(C(=O)[O-])cn2)cc1 ZINC001599517968 997426671 /nfs/dbraw/zinc/42/66/71/997426671.db2.gz XRUSAWVTIIHILU-SFHVURJKSA-N -1 0 349.390 3.579 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)NCC3(C(=O)[O-])CCCC3)s2)o1 ZINC000683315953 1016123635 /nfs/dbraw/zinc/12/36/35/1016123635.db2.gz HLXBHSGCETWBEA-UHFFFAOYSA-N -1 0 333.409 3.691 20 0 EHADRM COc1cc(CNC(=O)Nc2ccc(C)cc2Cl)ccc1C(=O)[O-] ZINC001599412877 997455371 /nfs/dbraw/zinc/45/53/71/997455371.db2.gz RKVBNNRTRKLWSY-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM COc1ccc([C@@H](NC(=O)c2ccc(C(=O)[O-])cc2)C2CCC2)cc1 ZINC001599525172 997545747 /nfs/dbraw/zinc/54/57/47/997545747.db2.gz OEYUXRJJQCXMRL-SFHVURJKSA-N -1 0 339.391 3.665 20 0 EHADRM COc1cc(Cl)c(Cl)cc1N[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@H]12 ZINC001599419349 997566893 /nfs/dbraw/zinc/56/68/93/997566893.db2.gz FDGIXZOOPJDIOF-PHGLEFOZSA-N -1 0 330.211 3.913 20 0 EHADRM COc1cc(Cl)c(NC(=O)c2cc(F)cc(C(=O)[O-])c2)cc1C ZINC001599419773 997573646 /nfs/dbraw/zinc/57/36/46/997573646.db2.gz KIOXTBOQCZVOBC-UHFFFAOYSA-N -1 0 337.734 3.747 20 0 EHADRM COc1cc(Cl)cc(C(=O)NCCCCC2(C(=O)[O-])CCC2)c1 ZINC001599419835 997574532 /nfs/dbraw/zinc/57/45/32/997574532.db2.gz OCROEWSNJJMFCW-UHFFFAOYSA-N -1 0 339.819 3.504 20 0 EHADRM C[C@]1(COC(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC1(Cl)Cl ZINC001594030908 997602959 /nfs/dbraw/zinc/60/29/59/997602959.db2.gz SBCMGLZDRXDRJS-IYXRBSQSSA-N -1 0 335.227 3.539 20 0 EHADRM C[C@@]1(CNc2nc(Cl)c(C(=O)[O-])s2)CCOC2(CCC2)C1 ZINC001594031695 997608610 /nfs/dbraw/zinc/60/86/10/997608610.db2.gz DCIGOWIFWDOGPW-CYBMUJFWSA-N -1 0 330.837 3.646 20 0 EHADRM CO[C@@H]1CCN(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)[C@@H](C)C1 ZINC001599118029 997688340 /nfs/dbraw/zinc/68/83/40/997688340.db2.gz SPOBALHHBYBWBD-GXFFZTMASA-N -1 0 348.424 3.631 20 0 EHADRM COC(=O)c1cc(CN(CC2CC2)c2ccccc2)cc(C(=O)[O-])c1 ZINC001598929128 997709718 /nfs/dbraw/zinc/70/97/18/997709718.db2.gz DRBPRFHDFXDFLU-UHFFFAOYSA-N -1 0 339.391 3.588 20 0 EHADRM COc1c(C)cc(Cl)cc1NC(=O)N[C@H](CC(=O)[O-])C(C)(C)C ZINC001599330953 997747428 /nfs/dbraw/zinc/74/74/28/997747428.db2.gz GMDKWMKUNGQVRN-GFCCVEGCSA-N -1 0 342.823 3.668 20 0 EHADRM COCCC[C@H](C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1Cl ZINC001599225777 997756067 /nfs/dbraw/zinc/75/60/67/997756067.db2.gz UFYJPSZAUYFGEL-QMMMGPOBSA-N -1 0 334.199 3.693 20 0 EHADRM COc1c(C)cc(C(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)cc1C ZINC001599331632 997758480 /nfs/dbraw/zinc/75/84/80/997758480.db2.gz NOLYXQDOMVJLBO-UHFFFAOYSA-N -1 0 342.391 3.893 20 0 EHADRM COc1cc(NC(=O)[C@@H](C)CCCc2ccccc2)ccc1C(=O)[O-] ZINC001599433799 997805912 /nfs/dbraw/zinc/80/59/12/997805912.db2.gz ZBYQBSLHGQTRPT-AWEZNQCLSA-N -1 0 341.407 3.991 20 0 EHADRM COc1c(Cl)cccc1-c1noc([C@@H]2CCC[C@H](C(=O)[O-])C2)n1 ZINC001599334331 997806276 /nfs/dbraw/zinc/80/62/76/997806276.db2.gz MLPWYLDLKYCRHR-ZJUUUORDSA-N -1 0 336.775 3.757 20 0 EHADRM COc1c(Cl)cccc1-c1noc([C@H]2CCC[C@H](C(=O)[O-])C2)n1 ZINC001599334327 997806644 /nfs/dbraw/zinc/80/66/44/997806644.db2.gz MLPWYLDLKYCRHR-UWVGGRQHSA-N -1 0 336.775 3.757 20 0 EHADRM C[C@]1(NC(=O)c2cc(Cl)c(F)cc2Cl)CCCC[C@@H]1C(=O)[O-] ZINC001594057145 997807454 /nfs/dbraw/zinc/80/74/54/997807454.db2.gz XCAQBZXYMRHGSL-PSLIRLAXSA-N -1 0 348.201 3.896 20 0 EHADRM CCCN(C(=O)CC(C)(C)CC(=O)[O-])[C@H]1CCc2ccccc2C1 ZINC000683319704 1016157585 /nfs/dbraw/zinc/15/75/85/1016157585.db2.gz AGTRAKYWNPFFFI-KRWDZBQOSA-N -1 0 331.456 3.674 20 0 EHADRM COc1cc(NC(=O)N(C)[C@H](C)c2ccc(C)cc2)ccc1C(=O)[O-] ZINC001599434252 997814536 /nfs/dbraw/zinc/81/45/36/997814536.db2.gz VJBAUPBEZCUBBY-CYBMUJFWSA-N -1 0 342.395 3.927 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)C1CCC(F)(F)CC1 ZINC001599542490 997868009 /nfs/dbraw/zinc/86/80/09/997868009.db2.gz IYQIEGOCNKALPI-HYXAFXHYSA-N -1 0 340.322 3.524 20 0 EHADRM COc1ccc(/C=C(/C)C(=O)NC2(C(=O)[O-])CCCCCC2)cc1F ZINC001599543166 997877682 /nfs/dbraw/zinc/87/76/82/997877682.db2.gz YQMMQRKOKJPRKS-QBFSEMIESA-N -1 0 349.402 3.531 20 0 EHADRM COc1ccc(/C=C2/C(=O)Nc3cc(F)c(C(=O)[O-])cc32)c(Cl)c1 ZINC001599544980 997907674 /nfs/dbraw/zinc/90/76/74/997907674.db2.gz YXCQHEGTQOLGJU-NYYWCZLTSA-N -1 0 347.729 3.679 20 0 EHADRM COC(=O)c1cc(NC(=O)CCCCCC(C)C)cc(C(=O)[O-])c1 ZINC001598938309 997912933 /nfs/dbraw/zinc/91/29/33/997912933.db2.gz RQTNIAVFENUUTH-UHFFFAOYSA-N -1 0 335.400 3.716 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OCCCc1cccc(F)c1 ZINC001599546055 997924539 /nfs/dbraw/zinc/92/45/39/997924539.db2.gz KSWMUFGHMVOKOB-CSKARUKUSA-N -1 0 330.355 3.944 20 0 EHADRM COC(=O)c1cc(NC(=O)[C@H](C)CCC(C)(C)C)cc(C(=O)[O-])c1 ZINC001598939406 997936122 /nfs/dbraw/zinc/93/61/22/997936122.db2.gz KOUHUBCKLHLNOX-LLVKDONJSA-N -1 0 335.400 3.572 20 0 EHADRM COc1cc(NC(=O)c2ccc(C(=O)[O-])s2)cc2ccccc21 ZINC001599442106 997946312 /nfs/dbraw/zinc/94/63/12/997946312.db2.gz DAIUVLPQBJPMAQ-UHFFFAOYSA-N -1 0 327.361 3.860 20 0 EHADRM COc1cc(NCc2ncc(C(=O)[O-])s2)c(C2CC2)cc1Cl ZINC001599443841 997975138 /nfs/dbraw/zinc/97/51/38/997975138.db2.gz OFIWSEKRPDCYRE-UHFFFAOYSA-N -1 0 338.816 3.993 20 0 EHADRM COc1cc(N[C@@H](C)c2cncc(C(=O)[O-])c2)ccc1OC(C)C ZINC001599443964 997977538 /nfs/dbraw/zinc/97/75/38/997977538.db2.gz ZWNRFGQXYLFUDS-LBPRGKRZSA-N -1 0 330.384 3.749 20 0 EHADRM COc1cc(OC(=O)C2(c3ccc(C)cc3)CCC2)ccc1C(=O)[O-] ZINC001599446459 998017328 /nfs/dbraw/zinc/01/73/28/998017328.db2.gz VLRIYGPKYYHRDU-UHFFFAOYSA-N -1 0 340.375 3.729 20 0 EHADRM COc1ccc(CCC(=O)Nc2c(C)sc(C)c2C(=O)[O-])cc1 ZINC001599552438 998031890 /nfs/dbraw/zinc/03/18/90/998031890.db2.gz IBPVMJUEVDXPOY-UHFFFAOYSA-N -1 0 333.409 3.643 20 0 EHADRM CC1=C(C(=O)[O-])[C@@H](c2ccc(-c3cccs3)cc2F)NC(=O)N1C ZINC001594095546 998067589 /nfs/dbraw/zinc/06/75/89/998067589.db2.gz TWSXNPRAYRADAU-OAHLLOKOSA-N -1 0 346.383 3.609 20 0 EHADRM Cc1ccc([C@@H]2NC(=O)N(c3ccc(C)cc3)C(C)=C2C(=O)[O-])cc1 ZINC001594098268 998080302 /nfs/dbraw/zinc/08/03/02/998080302.db2.gz POQQZZMJSYKXFD-SFHVURJKSA-N -1 0 336.391 3.933 20 0 EHADRM CC1=C(C)C[C@@H](C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])CC1 ZINC001594108332 998177858 /nfs/dbraw/zinc/17/78/58/998177858.db2.gz INENFNAAAJQNBF-AEFFLSMTSA-N -1 0 329.440 3.872 20 0 EHADRM COc1cc(OCC(=O)c2cc(C)c(C)cc2C)ccc1C(=O)[O-] ZINC001599456337 998194801 /nfs/dbraw/zinc/19/48/01/998194801.db2.gz SLMXSWWSOZWGSE-UHFFFAOYSA-N -1 0 328.364 3.580 20 0 EHADRM COc1cc(Oc2ccnc(Cc3ccccc3)n2)ccc1C(=O)[O-] ZINC001599457861 998219094 /nfs/dbraw/zinc/21/90/94/998219094.db2.gz SDFZPBKGJUEADD-UHFFFAOYSA-N -1 0 336.347 3.567 20 0 EHADRM COc1cc(Oc2ncnc3sc(C)c(C)c32)ccc1C(=O)[O-] ZINC001599458042 998221807 /nfs/dbraw/zinc/22/18/07/998221807.db2.gz XDMJIMVYOJSNHE-UHFFFAOYSA-N -1 0 330.365 3.807 20 0 EHADRM COc1cc(C(=O)[O-])ccc1CCNc1nc(C2CCCC2)ns1 ZINC001599367212 998353441 /nfs/dbraw/zinc/35/34/41/998353441.db2.gz HRVAGABTCGPOQE-UHFFFAOYSA-N -1 0 347.440 3.557 20 0 EHADRM COc1cc2nc(NCc3cc(C)c(C(=O)[O-])o3)sc2cc1OC ZINC001599467184 998383394 /nfs/dbraw/zinc/38/33/94/998383394.db2.gz XFSLHZHSGQKJQO-UHFFFAOYSA-N -1 0 348.380 3.525 20 0 EHADRM COCCOc1cccc(CNc2ccc3c(C(=O)[O-])c[nH]c3c2)c1 ZINC001599261025 998386247 /nfs/dbraw/zinc/38/62/47/998386247.db2.gz SGHGETPLKXEEGH-UHFFFAOYSA-N -1 0 340.379 3.503 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N(C)C[C@@H](C)c1ccccc1 ZINC001599369779 998391226 /nfs/dbraw/zinc/39/12/26/998391226.db2.gz BKVFIBFUMJPMAA-CYBMUJFWSA-N -1 0 342.395 3.661 20 0 EHADRM COc1ccc(CNc2cc(C(=O)[O-])cc3cccnc32)c(F)c1 ZINC001599573567 998405546 /nfs/dbraw/zinc/40/55/46/998405546.db2.gz CWNRNBYRYMPHMA-UHFFFAOYSA-N -1 0 326.327 3.693 20 0 EHADRM COCCc1ccc(Oc2ccc(N[C@H](C(=O)[O-])C3CC3)cc2)cc1 ZINC001599263402 998426856 /nfs/dbraw/zinc/42/68/56/998426856.db2.gz GJVFPGYCGSZHBS-IBGZPJMESA-N -1 0 341.407 3.943 20 0 EHADRM COC[C@@H](C)[C@H](C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1Cl ZINC001599159422 998431362 /nfs/dbraw/zinc/43/13/62/998431362.db2.gz UMXYAPANLRLOPZ-SFYZADRCSA-N -1 0 334.199 3.549 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)NC(C)(C)c1ccccc1C ZINC001599372483 998432077 /nfs/dbraw/zinc/43/20/77/998432077.db2.gz KAMZMSVYCHKMCA-UHFFFAOYSA-N -1 0 342.395 3.759 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1cc(SC)ccc1C ZINC001599373710 998451999 /nfs/dbraw/zinc/45/19/99/998451999.db2.gz ARYVPFLZVPBIJU-UHFFFAOYSA-N -1 0 331.393 3.676 20 0 EHADRM COc1ccc(Cl)cc1CCNc1ncc(C(=O)[O-])cc1Cl ZINC001599578553 998487476 /nfs/dbraw/zinc/48/74/76/998487476.db2.gz BBYIFABEUBDKPS-UHFFFAOYSA-N -1 0 341.194 3.750 20 0 EHADRM COc1ccc(-n2ccnc2SCc2ccc(C(=O)[O-])cc2)cc1 ZINC001599474042 998498213 /nfs/dbraw/zinc/49/82/13/998498213.db2.gz FNFLTGKFMBFGSD-UHFFFAOYSA-N -1 0 340.404 3.871 20 0 EHADRM COCOc1ccc(CCC(=O)[O-])cc1NC(=O)CCC1CCCC1 ZINC001599274750 998595180 /nfs/dbraw/zinc/59/51/80/998595180.db2.gz MQRLFLXRYUAABM-UHFFFAOYSA-N -1 0 349.427 3.595 20 0 EHADRM COc1ccc(C(=O)N(c2ccccc2C(=O)[O-])C2CCC2)c(C)c1 ZINC001599480247 998595338 /nfs/dbraw/zinc/59/53/38/998595338.db2.gz RBZVXYYGWNVQPX-UHFFFAOYSA-N -1 0 339.391 3.901 20 0 EHADRM C[C@H]1[C@H](C(=O)[O-])CCN1c1nc(Cl)c(C(F)(F)F)cc1Cl ZINC001594170891 998656554 /nfs/dbraw/zinc/65/65/54/998656554.db2.gz LYHGSIKUTGJSTL-NTSWFWBYSA-N -1 0 343.132 3.707 20 0 EHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@H]1Nc1ccccc1OCC(F)(F)F ZINC001594186524 998721258 /nfs/dbraw/zinc/72/12/58/998721258.db2.gz WIXZWWDBOYJWLL-IJLUTSLNSA-N -1 0 331.334 3.929 20 0 EHADRM COC(=O)c1cccc([C@H](SCCSC(C)(C)C)C(=O)[O-])c1 ZINC001598992596 998751196 /nfs/dbraw/zinc/75/11/96/998751196.db2.gz ASOIZNIBEJYNCL-ZDUSSCGKSA-N -1 0 342.482 3.864 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1C(=O)Cc1c(Cl)cccc1Cl ZINC001594205224 998786938 /nfs/dbraw/zinc/78/69/38/998786938.db2.gz AHRALVPJWSFHMH-JGPRNRPPSA-N -1 0 344.238 3.636 20 0 EHADRM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1C(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC001594205415 998788395 /nfs/dbraw/zinc/78/83/95/998788395.db2.gz CSJPVFDSJRZVEN-IUCAKERBSA-N -1 0 347.308 3.558 20 0 EHADRM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1C(=O)c1cc(-c2ccccc2)ns1 ZINC001594205923 998791929 /nfs/dbraw/zinc/79/19/29/998791929.db2.gz MOFKEULGQGUTAI-VXGBXAGGSA-N -1 0 344.436 3.524 20 0 EHADRM C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC001594216640 998832852 /nfs/dbraw/zinc/83/28/52/998832852.db2.gz WQPXTWBKPJIMPN-DTWKUNHWSA-N -1 0 348.296 3.719 20 0 EHADRM C[C@H](NC(=O)[C@H]1C[C@H](C)C[C@H](C)C1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001594219052 998840743 /nfs/dbraw/zinc/84/07/43/998840743.db2.gz BQZVVZGRPPHMCS-FZMWSMFESA-N -1 0 331.456 3.507 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cccc3ccc(C)nc32)s1 ZINC000340091767 1016254615 /nfs/dbraw/zinc/25/46/15/1016254615.db2.gz NZPLQUCYTGOSFN-UHFFFAOYSA-N -1 0 332.450 3.968 20 0 EHADRM C[C@H]1CC(CNC(=O)Cn2cc(C(=O)[O-])c3ccccc32)C[C@H](C)C1 ZINC001594222862 998858969 /nfs/dbraw/zinc/85/89/69/998858969.db2.gz KHBUAFZPOSYNQM-ZIAGYGMSSA-N -1 0 342.439 3.528 20 0 EHADRM C[C@@H]1C[C@@H](CCNC(=O)Nc2cc(C(=O)[O-])n(C)c2)CC(C)(C)C1 ZINC001594231463 998880007 /nfs/dbraw/zinc/88/00/07/998880007.db2.gz BQJGATKXTISWLA-CHWSQXEVSA-N -1 0 335.448 3.697 20 0 EHADRM C[C@@H]1C[C@@H](CCNC(=O)N2CCC(CC(=O)[O-])CC2)CC(C)(C)C1 ZINC001594233746 998891454 /nfs/dbraw/zinc/89/14/54/998891454.db2.gz ZWTNJTUXJYCEMZ-GDBMZVCRSA-N -1 0 338.492 3.735 20 0 EHADRM C[C@@H]1CC(F)(F)CCN1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001594246301 998943921 /nfs/dbraw/zinc/94/39/21/998943921.db2.gz XATFZUQTSYILHR-MRVPVSSYSA-N -1 0 332.734 3.690 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)CCS1 ZINC001594258468 998996012 /nfs/dbraw/zinc/99/60/12/998996012.db2.gz UNGJCEYCZFFEIC-SFYZADRCSA-N -1 0 346.811 3.583 20 0 EHADRM CO[C@@H](C(=O)Nc1sc(C)c(C)c1C(=O)[O-])c1ccc(F)cc1 ZINC001599026750 999021521 /nfs/dbraw/zinc/02/15/21/999021521.db2.gz LXJXKBALHHYBDO-CYBMUJFWSA-N -1 0 337.372 3.528 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C1 ZINC001594270037 999043179 /nfs/dbraw/zinc/04/31/79/999043179.db2.gz PAWOHTKHPDZIGW-LOUJCGABSA-N -1 0 348.418 3.562 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CCC(=O)N2CCc3c2cccc3C(=O)[O-])o1 ZINC001594277218 999072224 /nfs/dbraw/zinc/07/22/24/999072224.db2.gz OAJFPFHUZBHYCS-BLLLJJGKSA-N -1 0 339.391 3.623 20 0 EHADRM CO[C@@](C)([C@H](C)Nc1nc(C)nc2sc(C(=O)[O-])c(C)c21)C1CC1 ZINC001599036141 999084465 /nfs/dbraw/zinc/08/44/65/999084465.db2.gz GUMORZYHIOXHFY-XYZCENFISA-N -1 0 349.456 3.622 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CN(Cc2ncc(C(=O)[O-])s2)C2CC2)o1 ZINC001594279877 999085836 /nfs/dbraw/zinc/08/58/36/999085836.db2.gz MOFCCOXZAYKENC-MFKMUULPSA-N -1 0 332.425 3.722 20 0 EHADRM C[C@H]1CC=C(C(=O)NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)CC1 ZINC001594290374 999117570 /nfs/dbraw/zinc/11/75/70/999117570.db2.gz HJHIPMUPJKYHBX-SUMWQHHRSA-N -1 0 327.424 3.667 20 0 EHADRM CC1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001594290801 999120016 /nfs/dbraw/zinc/12/00/16/999120016.db2.gz GMIBIBCACGVESL-VGPLMAKISA-N -1 0 327.384 3.661 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)N[C@H](CC(=O)[O-])C2CCCC2)c1 ZINC001599041577 999121642 /nfs/dbraw/zinc/12/16/42/999121642.db2.gz ZAZPDAJNRWIPJQ-BLLLJJGKSA-N -1 0 334.416 3.549 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)N(Cc2ccccc2)C(C)(C)C(=O)[O-])C[C@@H]1C ZINC001594291983 999126316 /nfs/dbraw/zinc/12/63/16/999126316.db2.gz MSKPNKDLQNAYCI-HLLBOEOZSA-N -1 0 331.456 3.951 20 0 EHADRM C[C@@H]1CC[C@](C)(/C=C/C(=O)N[C@H](C(=O)[O-])c2ccc(O)cc2)C1(C)C ZINC001594295391 999136285 /nfs/dbraw/zinc/13/62/85/999136285.db2.gz AUSDLYXTYQUFTF-ZOBUVUAKSA-N -1 0 345.439 3.653 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)N[C@H](CC(=O)[O-])c2cccc3ccccc32)C1 ZINC001594295479 999136714 /nfs/dbraw/zinc/13/67/14/999136714.db2.gz HZFDBFMOLHTFDU-QIIPPGSGSA-N -1 0 325.408 3.908 20 0 EHADRM C[C@@H]1CC[C@](C)(/C=C\C(=O)N[C@H](C(=O)[O-])c2ccccc2)C1(C)C ZINC001594296193 999140654 /nfs/dbraw/zinc/14/06/54/999140654.db2.gz NVFJDEHZNVZIMH-PNMALWTFSA-N -1 0 329.440 3.947 20 0 EHADRM C[C@H](NC(=O)C1(C)CCC(C)CC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001594296423 999142235 /nfs/dbraw/zinc/14/22/35/999142235.db2.gz SCJIEDPZTALOGG-GLEGPSONSA-N -1 0 331.456 3.651 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1CNC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001594297287 999146547 /nfs/dbraw/zinc/14/65/47/999146547.db2.gz VDGIEDQSDDDXIO-OLMNPRSZSA-N -1 0 346.471 3.892 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001594298318 999150586 /nfs/dbraw/zinc/15/05/86/999150586.db2.gz HEWXWAQEDSRZBO-HPDPMFCGSA-N -1 0 333.428 3.816 20 0 EHADRM C[C@H]1CC[C@H](CC(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)C1 ZINC001594301721 999164912 /nfs/dbraw/zinc/16/49/12/999164912.db2.gz FWZHQXQEIHJVIB-RDJZCZTQSA-N -1 0 343.467 3.992 20 0 EHADRM C[C@@H]1CC[C@H](CCC(=O)O[C@@H]2CCCc3cc(C(=O)[O-])ccc32)O1 ZINC001594305044 999176960 /nfs/dbraw/zinc/17/69/60/999176960.db2.gz GBIWKQLKJNFSCS-SRCQZFHVSA-N -1 0 332.396 3.653 20 0 EHADRM C[C@@H]1CCC(F)(F)CN1CCOc1ccc(C(=O)[O-])cc1Cl ZINC001594306770 999184882 /nfs/dbraw/zinc/18/48/82/999184882.db2.gz KXQSEXINHNNBNL-SNVBAGLBSA-N -1 0 333.762 3.537 20 0 EHADRM C[C@@H]1CCC(F)(F)CN1C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001594307076 999185862 /nfs/dbraw/zinc/18/58/62/999185862.db2.gz QGVLUHCXQZBEQM-SECBINFHSA-N -1 0 337.326 3.518 20 0 EHADRM C[C@@H]1CC[C@@](NC(=O)C[C@H]2C=CCCC2)(C(=O)[O-])c2ccccc21 ZINC001594314117 999213475 /nfs/dbraw/zinc/21/34/75/999213475.db2.gz ONCUMFYEMAVZCQ-SIFCLUCFSA-N -1 0 327.424 3.726 20 0 EHADRM CO[C@H](COc1cnc(Cl)cc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001599055000 999223326 /nfs/dbraw/zinc/22/33/26/999223326.db2.gz BLTPERUTJWQEOG-CYBMUJFWSA-N -1 0 342.178 3.853 20 0 EHADRM C[C@@H]1CC[C@@](NC(=O)c2ccc3c(c2)CCC3)(C(=O)[O-])c2ccccc21 ZINC001594321426 999235970 /nfs/dbraw/zinc/23/59/70/999235970.db2.gz DFKCRSIQIPMROC-PEBXRYMYSA-N -1 0 349.430 3.783 20 0 EHADRM C[C@@H]1CC[C@@H](OC(=O)c2cc(C(=O)[O-])nn2-c2ccccc2)[C@@H](C)C1 ZINC001594329301 999265319 /nfs/dbraw/zinc/26/53/19/999265319.db2.gz WQADOMZQTZQLJE-IIYDPXPESA-N -1 0 342.395 3.552 20 0 EHADRM C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C1 ZINC001594330901 999272211 /nfs/dbraw/zinc/27/22/11/999272211.db2.gz ZXCBUJYYXODSOM-SPUZQDLCSA-N -1 0 329.440 3.877 20 0 EHADRM C[C@H](NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-])[C@H]1CCC[C@@H](C)C1 ZINC001594356318 999345394 /nfs/dbraw/zinc/34/53/94/999345394.db2.gz UOSWJWVVSZAZPB-RDBSUJKOSA-N -1 0 342.439 3.740 20 0 EHADRM C[C@H]1CCC[C@H]1CC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001594359405 999358173 /nfs/dbraw/zinc/35/81/73/999358173.db2.gz GWUNLMALZQVIHF-KBPBESRZSA-N -1 0 330.428 3.750 20 0 EHADRM C[C@@H]1CCC[C@H]1CC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001594359406 999358284 /nfs/dbraw/zinc/35/82/84/999358284.db2.gz GWUNLMALZQVIHF-KGLIPLIRSA-N -1 0 330.428 3.750 20 0 EHADRM C[C@H]1CCC[C@@H]1CNC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001594360421 999362860 /nfs/dbraw/zinc/36/28/60/999362860.db2.gz UROQEQSOGKKWSR-DZGCQCFKSA-N -1 0 345.443 3.543 20 0 EHADRM C[C@@H]1CCCC[C@H]1C(=O)Oc1ccc(C(=O)[O-])cc1Br ZINC001594363521 999371947 /nfs/dbraw/zinc/37/19/47/999371947.db2.gz GJCFIDGSQCMCQH-MWLCHTKSSA-N -1 0 341.201 3.879 20 0 EHADRM C[C@H]1CCCC[C@H]1C(=O)Oc1ccc(C(=O)[O-])cc1Br ZINC001594363519 999371959 /nfs/dbraw/zinc/37/19/59/999371959.db2.gz GJCFIDGSQCMCQH-GXSJLCMTSA-N -1 0 341.201 3.879 20 0 EHADRM C[C@@H]1CCCC[C@@H]1C(=O)N[C@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001594363799 999373818 /nfs/dbraw/zinc/37/38/18/999373818.db2.gz LRTJOJRAMOLRHL-VYCZESIESA-N -1 0 343.467 3.892 20 0 EHADRM C[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001594366154 999383529 /nfs/dbraw/zinc/38/35/29/999383529.db2.gz NEUWIEQBMJWGOC-ZFVVBOAOSA-N -1 0 330.428 3.917 20 0 EHADRM C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)c1ccc(C(=O)[O-])s1 ZINC001594388845 999472713 /nfs/dbraw/zinc/47/27/13/999472713.db2.gz OIFGDWVIXOZGIU-BDJLRTHQSA-N -1 0 329.421 3.890 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cccc(CSCC(=O)[O-])c2)CC[C@@H]1C ZINC001594405321 999517040 /nfs/dbraw/zinc/51/70/40/999517040.db2.gz KLYLTGWZLIPBEU-STQMWFEESA-N -1 0 336.457 3.514 20 0 EHADRM C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001594447960 999642253 /nfs/dbraw/zinc/64/22/53/999642253.db2.gz LLVDHFJVHDDSGI-VOJFVSQTSA-N -1 0 349.390 3.566 20 0 EHADRM C[C@@H]1CCn2ncc(C(=O)Nc3cc4ccccc4cc3C(=O)[O-])c2C1 ZINC001594452461 999652551 /nfs/dbraw/zinc/65/25/51/999652551.db2.gz QKQAHBPINSLXCU-GFCCVEGCSA-N -1 0 349.390 3.569 20 0 EHADRM C[C@@H]1CN(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])CC(C)(C)C1 ZINC001594470029 999699903 /nfs/dbraw/zinc/69/99/03/999699903.db2.gz AAVRLUSZIYODOB-GOEBONIOSA-N -1 0 346.471 3.916 20 0 EHADRM Cc1ccc(C2CC2)c(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000655573817 1016368710 /nfs/dbraw/zinc/36/87/10/1016368710.db2.gz BHORRZHOCAFJSD-AFAVFJNCSA-N -1 0 329.440 3.738 20 0 EHADRM Cc1csc(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1Cl ZINC000655575284 1016375780 /nfs/dbraw/zinc/37/57/80/1016375780.db2.gz ICIZEAWHQIMHEG-LPEHRKFASA-N -1 0 329.849 3.575 20 0 EHADRM Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1 ZINC000655575780 1016393992 /nfs/dbraw/zinc/39/39/92/1016393992.db2.gz MPTSYYZXLHRDRO-UHFFFAOYSA-N -1 0 326.805 3.623 20 0 EHADRM C[C@@H](NC(=O)c1ccc(-c2ccccc2)[nH]1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655580134 1016449023 /nfs/dbraw/zinc/44/90/23/1016449023.db2.gz HKFAJIDDZUYQAF-VHDGCEQUSA-N -1 0 340.423 3.547 20 0 EHADRM CC(C)Oc1ccc(CCNC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000031293753 1016505556 /nfs/dbraw/zinc/50/55/56/1016505556.db2.gz JKFZZAMBLMRTGM-UHFFFAOYSA-N -1 0 333.815 3.805 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCC[C@H]1c1ccccc1)CC(=O)[O-] ZINC000659419239 1016675154 /nfs/dbraw/zinc/67/51/54/1016675154.db2.gz YYMJOTPEWXFQCP-RDJZCZTQSA-N -1 0 332.444 3.670 20 0 EHADRM Cn1nccc1/C=C/c1nc2cc(C(=O)[O-])ccc2n1-c1ccccc1 ZINC000031644335 1016733534 /nfs/dbraw/zinc/73/35/34/1016733534.db2.gz OAJYZSTUIJIQKM-CSKARUKUSA-N -1 0 344.374 3.628 20 0 EHADRM COc1ccc(-n2nc(C)cc2Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC001211647793 1016925892 /nfs/dbraw/zinc/92/58/92/1016925892.db2.gz JCVWECOPIOFYBC-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM C[C@@H](NC(=O)c1cc2ccccc2s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655583561 1016932396 /nfs/dbraw/zinc/93/23/96/1016932396.db2.gz JNGYYRWKVFNHFM-KGYLQXTDSA-N -1 0 331.437 3.767 20 0 EHADRM CCO[C@H](C)c1ncc(C(=O)Nc2cccc(Cl)c2[O-])s1 ZINC000340320431 1016938475 /nfs/dbraw/zinc/93/84/75/1016938475.db2.gz QEMLBWVNIVYCKP-MRVPVSSYSA-N -1 0 326.805 3.852 20 0 EHADRM COc1ccc2cc(C(=O)Nc3ccc(F)cc3O)c(C)nc2c1 ZINC000340326798 1016948814 /nfs/dbraw/zinc/94/88/14/1016948814.db2.gz DPAXVEWOCPRVML-UHFFFAOYSA-N -1 0 326.327 3.649 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC)C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000659755439 1016979916 /nfs/dbraw/zinc/97/99/16/1016979916.db2.gz WQPCMBPMWRZQHX-SFHVURJKSA-N -1 0 341.407 3.763 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2cc(Cl)cc3ccccc32)C1 ZINC000659762724 1016981675 /nfs/dbraw/zinc/98/16/75/1016981675.db2.gz PYQWWSHKJPKTKB-LBPRGKRZSA-N -1 0 331.799 3.820 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)c2cccc(OCC(=O)[O-])c2)c(C)c1 ZINC000659752224 1016982077 /nfs/dbraw/zinc/98/20/77/1016982077.db2.gz CONDOMMQPXLSRR-HNNXBMFYSA-N -1 0 341.407 3.600 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1cc2cc(C(F)(F)F)ccc2s1 ZINC000659768056 1016983643 /nfs/dbraw/zinc/98/36/43/1016983643.db2.gz VSWGZRZOMLJFGL-JTQLQIEISA-N -1 0 345.342 3.855 20 0 EHADRM O=C([O-])CCCCCNC(=O)N(Cc1ccoc1)C1CCCCC1 ZINC000414607985 1017008321 /nfs/dbraw/zinc/00/83/21/1017008321.db2.gz ITIDQUYESCXQKN-UHFFFAOYSA-N -1 0 336.432 3.769 20 0 EHADRM CCN(C(=O)c1oc2c(ccc3ccccc23)c1C)[C@@H](C)C(=O)[O-] ZINC000659774212 1017008445 /nfs/dbraw/zinc/00/84/45/1017008445.db2.gz GIHSCWSRXSROHT-LBPRGKRZSA-N -1 0 325.364 3.830 20 0 EHADRM CC(C)=CCNC(=O)N=c1[n-]nc(-c2ccc(Cl)cc2F)s1 ZINC000471316717 1017022193 /nfs/dbraw/zinc/02/21/93/1017022193.db2.gz YQTLWWCXWBTTQB-UHFFFAOYSA-N -1 0 340.811 3.507 20 0 EHADRM CCCc1nc(C)c(CN2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)o1 ZINC000659794031 1017032324 /nfs/dbraw/zinc/03/23/24/1017032324.db2.gz IKYCIOOMIUDGRF-HOTGVXAUSA-N -1 0 328.412 3.726 20 0 EHADRM CCOC(=O)c1cnc(/C=C/C=C\c2ccc(F)cc2)c(C(=O)[O-])c1 ZINC000538134134 1032157000 /nfs/dbraw/zinc/15/70/00/1032157000.db2.gz WFHJDFPNMWYUML-CIIODKQPSA-N -1 0 341.338 3.822 20 0 EHADRM C[C@H](c1ccco1)N(C(=O)c1cc(F)c(F)c([O-])c1F)C1CC1 ZINC000183469910 1032173681 /nfs/dbraw/zinc/17/36/81/1032173681.db2.gz LTXHUYCVSOURRF-MRVPVSSYSA-N -1 0 325.286 3.768 20 0 EHADRM CCOc1cccc2cc([C@@H](C)NC(=O)c3cc(C(=O)[O-])co3)oc21 ZINC000183754581 1032202152 /nfs/dbraw/zinc/20/21/52/1032202152.db2.gz ACEVGYQYVMNFQT-SNVBAGLBSA-N -1 0 343.335 3.614 20 0 EHADRM O=C([O-])c1coc(C(=O)NC2c3ccccc3Oc3ccccc32)c1 ZINC000183782308 1032206696 /nfs/dbraw/zinc/20/66/96/1032206696.db2.gz GSCYLLMAMFTGCO-UHFFFAOYSA-N -1 0 335.315 3.603 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)CCC2 ZINC000183600046 1032209173 /nfs/dbraw/zinc/20/91/73/1032209173.db2.gz BLAUJCWTEJWCHO-AWEZNQCLSA-N -1 0 335.325 3.925 20 0 EHADRM CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)NCCCC(=O)[O-] ZINC000414623581 1017074646 /nfs/dbraw/zinc/07/46/46/1017074646.db2.gz HPFGCGLGZJKKCX-HNNXBMFYSA-N -1 0 326.824 3.543 20 0 EHADRM Cc1ccccc1C(C)(C)CN=c1[n-]nc(C2CCOCC2)s1 ZINC000549122265 1017079358 /nfs/dbraw/zinc/07/93/58/1017079358.db2.gz QRQOGQWJWBZRHX-UHFFFAOYSA-N -1 0 331.485 3.552 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCc2[nH]c3ccccc3c2C1 ZINC000184212179 1032264640 /nfs/dbraw/zinc/26/46/40/1032264640.db2.gz VYPUISFATOQORL-UHFFFAOYSA-N -1 0 344.773 3.865 20 0 EHADRM COc1ccccc1-c1cc(Nc2ccc(C(=O)[O-])cc2C)n(C)n1 ZINC001211616270 1032275302 /nfs/dbraw/zinc/27/53/02/1032275302.db2.gz FEFKRUKQNZXZII-UHFFFAOYSA-N -1 0 337.379 3.846 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1nc(C)c(Br)c(C)n1 ZINC001211616262 1032273426 /nfs/dbraw/zinc/27/34/26/1032273426.db2.gz DZDMDAINEIPTLQ-UHFFFAOYSA-N -1 0 336.189 3.606 20 0 EHADRM C[C@H](CC(=O)N[C@H](C)[C@@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC000455917142 1032296909 /nfs/dbraw/zinc/29/69/09/1032296909.db2.gz DEKXJWFXDZGEAG-GPMSIDNRSA-N -1 0 339.435 3.628 20 0 EHADRM CC(C)Oc1ccccc1[C@@H](C)NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000905111639 1032347332 /nfs/dbraw/zinc/34/73/32/1032347332.db2.gz GVCXWSCSGLYWMT-KFWWJZLASA-N -1 0 333.428 3.542 20 0 EHADRM COc1ccc2cc(NC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)ccc2c1 ZINC000905116124 1032349012 /nfs/dbraw/zinc/34/90/12/1032349012.db2.gz XCJFNJKYRYEUBE-CABCVRRESA-N -1 0 327.380 3.678 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)Nc1ccccc1COC(C)(C)C)C(=O)[O-] ZINC000905130682 1032357904 /nfs/dbraw/zinc/35/79/04/1032357904.db2.gz ICHLBDBSCQKURP-RYUDHWBXSA-N -1 0 339.457 3.535 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])c2)cs1 ZINC000237821336 1032378081 /nfs/dbraw/zinc/37/80/81/1032378081.db2.gz GQXAQUZOWGAQIS-CABCVRRESA-N -1 0 344.436 3.948 20 0 EHADRM COC(=O)c1ccccc1S(=O)(=O)[N-]c1cccc(C2CCC2)c1 ZINC000461328945 1032401518 /nfs/dbraw/zinc/40/15/18/1032401518.db2.gz BGHFCPNBUXRFSM-UHFFFAOYSA-N -1 0 345.420 3.542 20 0 EHADRM Cc1c2ccc([N-]S(=O)(=O)c3cccc(C)c3Cl)cc2nn1C ZINC000461343239 1032408873 /nfs/dbraw/zinc/40/88/73/1032408873.db2.gz YSLZXZDKLRLTFK-UHFFFAOYSA-N -1 0 349.843 3.644 20 0 EHADRM O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(C(F)(F)F)s1 ZINC000461341885 1032409023 /nfs/dbraw/zinc/40/90/23/1032409023.db2.gz RVAMBWWBQPNHKG-UHFFFAOYSA-N -1 0 343.298 3.846 20 0 EHADRM Cc1nc(-c2ccccc2)sc1C(=O)N[C@](C)(CC(=O)[O-])C(C)C ZINC000263012595 1032410618 /nfs/dbraw/zinc/41/06/18/1032410618.db2.gz PQLYPYQNFLBAMY-GOSISDBHSA-N -1 0 346.452 3.738 20 0 EHADRM Cc1cccc(OCCCC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)c1 ZINC000263058860 1032424800 /nfs/dbraw/zinc/42/48/00/1032424800.db2.gz AQWXNVUGWDHYSB-UHFFFAOYSA-N -1 0 345.370 3.559 20 0 EHADRM O=C([O-])c1ccc2nc(/C=C\c3ccc(-n4cncn4)cc3)sc2c1 ZINC000431549417 1032424831 /nfs/dbraw/zinc/42/48/31/1032424831.db2.gz HSMSZGWPLNWIHZ-BAQGIRSFSA-N -1 0 348.387 3.746 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)Nc2cc3c(cn2)CCCC3)c1 ZINC000263081781 1032434792 /nfs/dbraw/zinc/43/47/92/1032434792.db2.gz RGYLXDOQDXDQOE-UHFFFAOYSA-N -1 0 339.395 3.622 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc(COCc3ccco3)c2)CCCC1 ZINC000584413139 1032469742 /nfs/dbraw/zinc/46/97/42/1032469742.db2.gz SJJLTVJKBVTZLA-UHFFFAOYSA-N -1 0 343.379 3.580 20 0 EHADRM O=C([O-])CCCCCNC(=O)N1CC2(CCCC2)c2ccccc21 ZINC000414631362 1017091027 /nfs/dbraw/zinc/09/10/27/1017091027.db2.gz WELGJMPLHMEUDE-UHFFFAOYSA-N -1 0 330.428 3.673 20 0 EHADRM CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)NCCCCCC(=O)[O-] ZINC000414633104 1017092817 /nfs/dbraw/zinc/09/28/17/1017092817.db2.gz ZYCXEJWFNPUHME-KRWDZBQOSA-N -1 0 338.423 3.809 20 0 EHADRM CCc1ccc(C2CCN(C(=O)[C@@H](C)S[C@H](C)C(=O)[O-])CC2)cc1 ZINC000602013906 1032581390 /nfs/dbraw/zinc/58/13/90/1032581390.db2.gz ZLTCMPLPVMNXEQ-ZIAGYGMSSA-N -1 0 349.496 3.550 20 0 EHADRM CC[C@H](NC(=O)[C@H](C)S[C@H](C)C(=O)[O-])c1cccc(Cl)c1 ZINC000601989683 1032582931 /nfs/dbraw/zinc/58/29/31/1032582931.db2.gz CBOGSVVJCPWBMY-CWSCBRNRSA-N -1 0 329.849 3.502 20 0 EHADRM CC(C)[C@@H](NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000601990377 1032583947 /nfs/dbraw/zinc/58/39/47/1032583947.db2.gz ZBXBFMANTQRBLJ-COPLHBTASA-N -1 0 343.876 3.748 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)N1CCCCC[C@H]1c1ccccc1)C(=O)[O-] ZINC000602004888 1032588492 /nfs/dbraw/zinc/58/84/92/1032588492.db2.gz SQFIKLSYDMJYLD-DZKIICNBSA-N -1 0 335.469 3.725 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)N1CCC[C@H]1c1ccccc1Cl)C(=O)[O-] ZINC000602002218 1032588660 /nfs/dbraw/zinc/58/86/60/1032588660.db2.gz OWMCYFQKYXLDRL-MJVIPROJSA-N -1 0 341.860 3.598 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2OCC(F)F)sc1C ZINC000091019013 1032617805 /nfs/dbraw/zinc/61/78/05/1032617805.db2.gz DXKVEMWZQZIHQS-UHFFFAOYSA-N -1 0 347.408 3.810 20 0 EHADRM CC(C)c1csc(S([O-])=CC(=O)N(C(C)C)C2CCCC2)n1 ZINC000593006858 1032639280 /nfs/dbraw/zinc/63/92/80/1032639280.db2.gz VXDLEPNGPURHDZ-QFIPXVFZSA-N -1 0 342.530 3.554 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])c1cc2ccccc2s1 ZINC000592982353 1032649995 /nfs/dbraw/zinc/64/99/95/1032649995.db2.gz MJRXOBJJHFAWRZ-UBHSHLNASA-N -1 0 329.421 3.746 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)N(C)C[C@H](C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000414623401 1017073960 /nfs/dbraw/zinc/07/39/60/1017073960.db2.gz HWODSYHTSJYUTQ-SLEUVZQESA-N -1 0 340.851 3.789 20 0 EHADRM CC(C)(C)[C@@H](CC1CCCCC1)NC(=O)N1CCC(C(=O)[O-])CC1 ZINC000414628703 1017081436 /nfs/dbraw/zinc/08/14/36/1017081436.db2.gz NCUUIQJXLYWMNR-MRXNPFEDSA-N -1 0 338.492 3.878 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2ccoc2)c(C2CC2)cc1Cl ZINC000655602368 1017169725 /nfs/dbraw/zinc/16/97/25/1017169725.db2.gz AYDUKRKMCOZBDY-UHFFFAOYSA-N -1 0 327.789 3.620 20 0 EHADRM CCN(C(=O)N(C)[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)C(C)C ZINC000547922573 1017365174 /nfs/dbraw/zinc/36/51/74/1017365174.db2.gz SCJBDLRPTKEMCP-CYBMUJFWSA-N -1 0 346.349 3.613 20 0 EHADRM O=S(=O)([O-])c1c(Nc2cccc(F)c2O)ccc2ccccc21 ZINC001210200020 1017453101 /nfs/dbraw/zinc/45/31/01/1017453101.db2.gz UAWZGMAMRHUJMX-UHFFFAOYSA-N -1 0 333.340 3.675 20 0 EHADRM C[C@H](CC(=O)N[C@@H](CC(=O)[O-])C1CCCCC1)c1ccc(F)cc1 ZINC000537401141 1032703521 /nfs/dbraw/zinc/70/35/21/1032703521.db2.gz NAMQOXRUISRORB-DYVFJYSZSA-N -1 0 335.419 3.859 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2nc(C)c(C)o2)cc1C(C)C ZINC000278813321 1017694978 /nfs/dbraw/zinc/69/49/78/1017694978.db2.gz IODNYGFMWLQQDL-UHFFFAOYSA-N -1 0 338.429 3.533 20 0 EHADRM CCC[C@@H]([NH2+]Cc1ncc(Br)cc1O)c1ccccn1 ZINC000892911718 1017699018 /nfs/dbraw/zinc/69/90/18/1017699018.db2.gz NJGRXKBKDAGGFM-GFCCVEGCSA-N -1 0 336.233 3.576 20 0 EHADRM O=C(CCCC1CCCCC1)[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000785246422 1017771708 /nfs/dbraw/zinc/77/17/08/1017771708.db2.gz NQEKPJNYIARUFY-UHFFFAOYSA-N -1 0 341.448 3.522 20 0 EHADRM O=S(=O)([N-]c1nc2ccccc2s1)c1cc(F)cc(Cl)c1 ZINC000533689404 1017796431 /nfs/dbraw/zinc/79/64/31/1017796431.db2.gz JZRZEQHHSNPNMU-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM O=C(Nc1nc(-c2ccccc2)c[nH]1)c1cc(F)c([O-])c(Cl)c1 ZINC000683633019 1017814503 /nfs/dbraw/zinc/81/45/03/1017814503.db2.gz RJZJOIPVRIXYLZ-UHFFFAOYSA-N -1 0 331.734 3.827 20 0 EHADRM Cc1ccccc1C(C)(C)NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655900025 1017877573 /nfs/dbraw/zinc/87/75/73/1017877573.db2.gz NCFNFSQZWXVBIS-CWRNSKLLSA-N -1 0 346.471 3.665 20 0 EHADRM FC(F)(F)c1nc(=NCc2cccc(Cl)c2Cl)s[n-]1 ZINC000574182364 1032733118 /nfs/dbraw/zinc/73/31/18/1032733118.db2.gz LZTDIBAJHWCICL-UHFFFAOYSA-N -1 0 328.146 3.898 20 0 EHADRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1ccc2c(c1)CCO2 ZINC000121067692 1017952149 /nfs/dbraw/zinc/95/21/49/1017952149.db2.gz NOZMINCHJBFXAW-MRXNPFEDSA-N -1 0 344.370 3.617 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)c1ccc(OC2CCCC2)cc1 ZINC000236753829 1017963885 /nfs/dbraw/zinc/96/38/85/1017963885.db2.gz JMRQPECGEOUUNK-UHFFFAOYSA-N -1 0 333.428 3.581 20 0 EHADRM O=C([O-])[C@@]1(CC(=O)Nc2ccc(SC(F)F)cc2)CCSC1 ZINC000146859262 1017972456 /nfs/dbraw/zinc/97/24/56/1017972456.db2.gz ZDILBRJKQHLMEC-CQSZACIVSA-N -1 0 347.408 3.538 20 0 EHADRM Cc1ccccc1C1(C(=O)N=c2nc(C(C)(C)C)[n-]s2)CCC1 ZINC000472804782 1018021394 /nfs/dbraw/zinc/02/13/94/1018021394.db2.gz HCPCHIGHAQHIAM-UHFFFAOYSA-N -1 0 329.469 3.626 20 0 EHADRM C/C(=C/C(=O)N[C@@H](CC(=O)[O-])c1ccccc1C)c1cccc(F)c1 ZINC000236656493 1018047964 /nfs/dbraw/zinc/04/79/64/1018047964.db2.gz PYDYGADEPWITHU-BLSFAOBESA-N -1 0 341.382 3.870 20 0 EHADRM Cc1n[nH]c(C)c1N=c1[n-]nc(-c2c[nH]c3ccccc23)n1CC(C)C ZINC000460636082 1018226493 /nfs/dbraw/zinc/22/64/93/1018226493.db2.gz NTCXJWOLZZFDTD-UHFFFAOYSA-N -1 0 349.442 3.588 20 0 EHADRM CCCC[C@H](NC(=O)CCCSc1ccc(Cl)cc1)C(=O)[O-] ZINC000314467184 1018350914 /nfs/dbraw/zinc/35/09/14/1018350914.db2.gz LRTRNXZHQLRLSU-AWEZNQCLSA-N -1 0 343.876 3.972 20 0 EHADRM Cc1ccc(C)c(C(=O)N[C@H](C)[C@@H]2CC3CCC2CC3)c1C(=O)[O-] ZINC000394209609 1018377063 /nfs/dbraw/zinc/37/70/63/1018377063.db2.gz ALLWFUULDHABST-LMPOIIKSSA-N -1 0 329.440 3.946 20 0 EHADRM C[C@@H](Nc1nnc(-c2ccccc2)s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656091722 1018520329 /nfs/dbraw/zinc/52/03/29/1018520329.db2.gz IEYDKKHFKJKECO-KGYLQXTDSA-N -1 0 331.441 3.752 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)Nc2cccc(-c3cccc(Cl)c3)c2)O1 ZINC000340580356 1018573391 /nfs/dbraw/zinc/57/33/91/1018573391.db2.gz HOXWLLAGYDSONP-HZPDHXFCSA-N -1 0 345.782 3.578 20 0 EHADRM CCC(CC)(NC(=O)Nc1ccc(C)c(C(F)(F)F)c1)C(=O)[O-] ZINC000321725370 1018599289 /nfs/dbraw/zinc/59/92/89/1018599289.db2.gz SDYKMMSGPMUCHL-UHFFFAOYSA-N -1 0 332.322 3.779 20 0 EHADRM O=C(N[C@@H](c1ccccc1)c1ccccn1)c1cc(F)c([O-])c(F)c1 ZINC000377966772 1018605963 /nfs/dbraw/zinc/60/59/63/1018605963.db2.gz RCVLJZAYOYLCTE-KRWDZBQOSA-N -1 0 340.329 3.585 20 0 EHADRM CC[C@@H](C)N(Cc1ccccc1)C(=O)N=c1[n-]nc(C2CC2)s1 ZINC000549903639 1018769703 /nfs/dbraw/zinc/76/97/03/1018769703.db2.gz SNOVYHJCRQBSLM-GFCCVEGCSA-N -1 0 330.457 3.670 20 0 EHADRM O=C(CC1CCC(F)(F)CC1)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000627519021 1018784703 /nfs/dbraw/zinc/78/47/03/1018784703.db2.gz DNJPVASVVWEGTB-UHFFFAOYSA-N -1 0 335.354 3.936 20 0 EHADRM CC(C)Oc1ccc(NC(=O)CC2(C(=O)[O-])CCCCC2)c(F)c1 ZINC000052118323 1018835832 /nfs/dbraw/zinc/83/58/32/1018835832.db2.gz LCCGTIITWATVPY-UHFFFAOYSA-N -1 0 337.391 3.977 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C(C)C)c(C)o1 ZINC000345088321 1018841400 /nfs/dbraw/zinc/84/14/00/1018841400.db2.gz CRMLLPBDHWWOTD-UHFFFAOYSA-N -1 0 339.461 3.673 20 0 EHADRM C[C@H]1CC(F)(F)CCN1Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000528772604 1032789366 /nfs/dbraw/zinc/78/93/66/1032789366.db2.gz LZBQXWJECDLTOD-VIFPVBQESA-N -1 0 343.757 3.772 20 0 EHADRM Cc1nc(CC(C)C)c(NS(=O)(=O)Cc2ccc(F)cc2)s1 ZINC000340642378 1019055385 /nfs/dbraw/zinc/05/53/85/1019055385.db2.gz NDACSSADWCQYJM-UHFFFAOYSA-N -1 0 342.461 3.731 20 0 EHADRM O=C1NCCOc2ccc(Nc3cc(Cl)c([O-])c(Cl)c3)cc21 ZINC001210926270 1019065197 /nfs/dbraw/zinc/06/51/97/1019065197.db2.gz CDGVRQVGTAUCAD-UHFFFAOYSA-N -1 0 339.178 3.565 20 0 EHADRM CC(C)(C)CCCC(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000729065281 1019172575 /nfs/dbraw/zinc/17/25/75/1019172575.db2.gz FRTAROMYNANBDN-UHFFFAOYSA-N -1 0 333.453 3.861 20 0 EHADRM Cc1c(NCc2c[nH]nc2-c2ccccc2F)cccc1C(=O)[O-] ZINC000340679036 1019193846 /nfs/dbraw/zinc/19/38/46/1019193846.db2.gz OJAZWHBGGWNDEV-UHFFFAOYSA-N -1 0 325.343 3.835 20 0 EHADRM COc1ccc(NC(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cc1 ZINC000683921152 1019243082 /nfs/dbraw/zinc/24/30/82/1019243082.db2.gz IGZSYMGYDDMXAC-RHSMWYFYSA-N -1 0 346.427 3.583 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3ccn(C)c32)c1 ZINC000471573487 1019304828 /nfs/dbraw/zinc/30/48/28/1019304828.db2.gz IWWFHKWDTYZPAV-UHFFFAOYSA-N -1 0 334.828 3.941 20 0 EHADRM O=[N+]([O-])c1ccc([O-])c(/C=N/CCCCOCc2ccccc2)c1 ZINC000050234206 1019384017 /nfs/dbraw/zinc/38/40/17/1019384017.db2.gz WRXDGCMFENUUJU-CPNJWEJPSA-N -1 0 328.368 3.716 20 0 EHADRM O=C([O-])[C@H]1CC[C@H]1C(=O)N1CCC(c2cccc3ccccc32)CC1 ZINC000262152365 1019551448 /nfs/dbraw/zinc/55/14/48/1019551448.db2.gz PIEAWTWSTAXRER-MOPGFXCFSA-N -1 0 337.419 3.657 20 0 EHADRM Cc1cccc(Oc2ncccc2NC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])c1C ZINC000262215043 1019564177 /nfs/dbraw/zinc/56/41/77/1019564177.db2.gz UAYPXHRTOSKUCL-KGLIPLIRSA-N -1 0 340.379 3.540 20 0 EHADRM COc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(C)c1O ZINC000647128146 1019575170 /nfs/dbraw/zinc/57/51/70/1019575170.db2.gz RFTCIWGTOPVTOQ-UHFFFAOYSA-N -1 0 349.452 3.808 20 0 EHADRM Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)CC(C)(C)C(=O)[O-] ZINC000262300839 1019587799 /nfs/dbraw/zinc/58/77/99/1019587799.db2.gz ZOQOXIYAQQSFEA-NSHDSACASA-N -1 0 346.452 3.797 20 0 EHADRM CCCCS[C@@H](C)C(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1 ZINC000262481023 1019641882 /nfs/dbraw/zinc/64/18/82/1019641882.db2.gz DJFVTPPFNNTSPH-LBPRGKRZSA-N -1 0 334.441 3.586 20 0 EHADRM C[C@@H](C(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1)c1cccc(F)c1 ZINC000647826822 1019708881 /nfs/dbraw/zinc/70/88/81/1019708881.db2.gz ZGBMVXQZCYMYCH-LLVKDONJSA-N -1 0 325.343 3.664 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)CCC2CCCCC2)C[C@@H]1c1ccccc1 ZINC000262767163 1019726489 /nfs/dbraw/zinc/72/64/89/1019726489.db2.gz AAVSSHNWPBOZIE-QZTJIDSGSA-N -1 0 329.440 3.674 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(-c3ccccc3F)o2)C1 ZINC000262776904 1019727395 /nfs/dbraw/zinc/72/73/95/1019727395.db2.gz ASVGYYBHFWSKPG-LJQANCHMSA-N -1 0 345.370 3.659 20 0 EHADRM C[C@@H]1CN(C(=O)CCCc2ccc3ccccc3c2)CC[C@H]1C(=O)[O-] ZINC000262960406 1019778249 /nfs/dbraw/zinc/77/82/49/1019778249.db2.gz LYWAPSHWBYZODH-DNVCBOLYSA-N -1 0 339.435 3.732 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(C3CCCCC3)cc2)CC[C@H]1C(=O)[O-] ZINC000263015409 1019789344 /nfs/dbraw/zinc/78/93/44/1019789344.db2.gz PVSBYQKLLGRRBK-RDTXWAMCSA-N -1 0 329.440 3.917 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-]c2cc(-c3ccccc3)on2)cc1 ZINC000580671680 1019821625 /nfs/dbraw/zinc/82/16/25/1019821625.db2.gz CJKAUXPMPUKFOP-UHFFFAOYSA-N -1 0 328.393 3.592 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C1CCSCC1)c1ccc2ccccc2c1 ZINC000263152549 1019828435 /nfs/dbraw/zinc/82/84/35/1019828435.db2.gz UXBOEEIQNVQRMX-KRWDZBQOSA-N -1 0 343.448 3.615 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000263176884 1019833850 /nfs/dbraw/zinc/83/38/50/1019833850.db2.gz GUFWFAKDQQIOFU-CXAGYDPISA-N -1 0 333.428 3.941 20 0 EHADRM CCC[C@H](CNC(=O)c1occc1CSc1ccccc1)C(=O)[O-] ZINC000263199348 1019835448 /nfs/dbraw/zinc/83/54/48/1019835448.db2.gz NLJFRXUUOCPLBL-CYBMUJFWSA-N -1 0 347.436 3.803 20 0 EHADRM Cc1ccc(SC2CCCC2)c(C(=O)N[C@H](C)[C@@H](C)C(=O)[O-])c1 ZINC000263403171 1019895790 /nfs/dbraw/zinc/89/57/90/1019895790.db2.gz FPKTWNRIFNTUDC-CHWSQXEVSA-N -1 0 335.469 3.869 20 0 EHADRM Cc1ccc2oc(Sc3n[n-]c(=NCc4ccco4)s3)nc2c1 ZINC000513650071 1019906181 /nfs/dbraw/zinc/90/61/81/1019906181.db2.gz JATKKAUPVLCNNW-UHFFFAOYSA-N -1 0 344.421 3.766 20 0 EHADRM CC(C)Oc1ccc(N(C)C(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000430513525 1020014062 /nfs/dbraw/zinc/01/40/62/1020014062.db2.gz XXFBOUYKFFLRIN-UHFFFAOYSA-N -1 0 336.391 3.592 20 0 EHADRM COc1cc(C)ccc1[N-]S(=O)(=O)c1cccc2c1N=S=N2 ZINC000055664010 1020127146 /nfs/dbraw/zinc/12/71/46/1020127146.db2.gz QTOXWXCQGJDUNC-UHFFFAOYSA-N -1 0 335.410 3.531 20 0 EHADRM CC[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1F)CC(F)(F)F ZINC001212185658 1032881664 /nfs/dbraw/zinc/88/16/64/1032881664.db2.gz XWIJWNDWENUMPK-QMMMGPOBSA-N -1 0 347.761 3.736 20 0 EHADRM CCc1noc2ncc(C(=O)Nc3cc(Cl)c([O-])cc3F)cc12 ZINC000345613346 1020385382 /nfs/dbraw/zinc/38/53/82/1020385382.db2.gz AGICKOWLWPGVMT-UHFFFAOYSA-N -1 0 335.722 3.536 20 0 EHADRM CCCCN(CCCC)C(=O)c1cc(C(=O)[O-])n(-c2ccccc2)n1 ZINC000581071000 1020401390 /nfs/dbraw/zinc/40/13/90/1020401390.db2.gz FRJNHPSFFRPECZ-UHFFFAOYSA-N -1 0 343.427 3.613 20 0 EHADRM CC(C)(C)n1cnc(=NC(=O)N[C@H](CC2CCC2)c2ccccc2)[n-]1 ZINC000345627038 1020401941 /nfs/dbraw/zinc/40/19/41/1020401941.db2.gz STMCALIFJKTXCH-MRXNPFEDSA-N -1 0 341.459 3.508 20 0 EHADRM O=C([O-])c1cc2ccc(-c3ccccc3OC[C@@H]3CCOC3)cc2[nH]1 ZINC000581083088 1020411401 /nfs/dbraw/zinc/41/14/01/1020411401.db2.gz PHURFDQQKPKCQQ-CYBMUJFWSA-N -1 0 337.375 3.948 20 0 EHADRM CCC[C@@H](C)C(=O)N[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000345792189 1020525030 /nfs/dbraw/zinc/52/50/30/1020525030.db2.gz FVPVANWKSCXROS-RNCFNFMXSA-N -1 0 332.227 3.542 20 0 EHADRM CC(C)(C)CC(=O)N[C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000345837400 1020566768 /nfs/dbraw/zinc/56/67/68/1020566768.db2.gz ZLIXUTRDZXSBPM-GFCCVEGCSA-N -1 0 332.227 3.542 20 0 EHADRM Cc1cc(C(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])c(C)n1C1CC1 ZINC000345893386 1020593210 /nfs/dbraw/zinc/59/32/10/1020593210.db2.gz VYQOOEALOFYBIB-RDJZCZTQSA-N -1 0 332.444 3.593 20 0 EHADRM O=C([O-])c1sc2ccsc2c1CNC(=O)Cc1ccsc1 ZINC000345910598 1020604591 /nfs/dbraw/zinc/60/45/91/1020604591.db2.gz UTJZKFTVNRYWBW-UHFFFAOYSA-N -1 0 337.447 3.581 20 0 EHADRM CCOC(=O)c1cnc(/C=C\c2cnc(C(C)C)s2)c(C(=O)[O-])c1 ZINC000340948623 1020666210 /nfs/dbraw/zinc/66/62/10/1020666210.db2.gz DZZSNILSELYNNJ-WAYWQWQTSA-N -1 0 346.408 3.707 20 0 EHADRM O=C(C=Cc1ccc(Cl)s1)[N-]S(=O)(=O)c1cccs1 ZINC000048448168 1020859365 /nfs/dbraw/zinc/85/93/65/1020859365.db2.gz UPSRBLVOUTZUHW-XQRVVYSFSA-N -1 0 333.843 3.822 20 0 EHADRM COc1ccc2c(c1)CN(Cc1ccc(C(=O)[O-])c(Cl)c1)CC2 ZINC000581435044 1020910174 /nfs/dbraw/zinc/91/01/74/1020910174.db2.gz YCAXRFVXERTKLR-UHFFFAOYSA-N -1 0 331.799 3.605 20 0 EHADRM CC(C)c1csc([N-]S(=O)(=O)Cc2cccc(Cl)c2)n1 ZINC000581451848 1020934463 /nfs/dbraw/zinc/93/44/63/1020934463.db2.gz VAOLZAXFMCDMJP-UHFFFAOYSA-N -1 0 330.862 3.862 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)NC1CCC2(CC2(F)F)CC1)C(=O)[O-] ZINC000656599248 1020983747 /nfs/dbraw/zinc/98/37/47/1020983747.db2.gz NVOHATIRJQTINL-BWBHSNQOSA-N -1 0 346.418 3.533 20 0 EHADRM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)c1 ZINC000656626625 1021061168 /nfs/dbraw/zinc/06/11/68/1021061168.db2.gz RYNGHWUIJSRSDT-LLVKDONJSA-N -1 0 339.388 3.509 20 0 EHADRM Cc1cccc(OCCCNC(=O)c2ccc([O-])c(Cl)c2)c1C ZINC000436815325 1021243221 /nfs/dbraw/zinc/24/32/21/1021243221.db2.gz NVHQYVJFEOCRKC-UHFFFAOYSA-N -1 0 333.815 3.861 20 0 EHADRM Cc1cccnc1C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000436806471 1021252975 /nfs/dbraw/zinc/25/29/75/1021252975.db2.gz HSWYQORAYZTTLS-UHFFFAOYSA-N -1 0 341.592 3.764 20 0 EHADRM O=C([O-])c1ccoc1CN1CCc2ccc(Cl)c(Cl)c2C1 ZINC000656758768 1021280976 /nfs/dbraw/zinc/28/09/76/1021280976.db2.gz OGTYAVBJTADMRV-UHFFFAOYSA-N -1 0 326.179 3.843 20 0 EHADRM C[C@H](CC(=O)c1ccccc1F)C(=O)Nc1ccc(F)c(F)c1[O-] ZINC001625987957 1032965448 /nfs/dbraw/zinc/96/54/48/1032965448.db2.gz JYQUFSUXWBBLJU-SECBINFHSA-N -1 0 337.297 3.657 20 0 EHADRM CC1(C)CO[C@H](c2cccc(F)c2)CN1Cc1csc(C(=O)[O-])c1 ZINC000656764625 1021290232 /nfs/dbraw/zinc/29/02/32/1021290232.db2.gz CZNVCFDCOAYHDJ-HNNXBMFYSA-N -1 0 349.427 3.938 20 0 EHADRM CCCCc1nc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)cs1 ZINC000656766385 1021298845 /nfs/dbraw/zinc/29/88/45/1021298845.db2.gz RBRSPKIBUOPYEX-JYJNAYRXSA-N -1 0 336.501 3.951 20 0 EHADRM COc1cc(OC)c(NC(=O)c2ccc(C(C)=O)c(O)c2)cc1Cl ZINC000436861930 1021301626 /nfs/dbraw/zinc/30/16/26/1021301626.db2.gz WQMIBSVNXAZBHG-UHFFFAOYSA-N -1 0 349.770 3.518 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)Cc2ccccc2Br)c1 ZINC000436863179 1021301693 /nfs/dbraw/zinc/30/16/93/1021301693.db2.gz SPBCJUOYCUHGJG-UHFFFAOYSA-N -1 0 348.196 3.539 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cccnc2C(F)(F)F)c(C)c1 ZINC000516337227 1021312547 /nfs/dbraw/zinc/31/25/47/1021312547.db2.gz BITDYTUZLCQCDX-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)c1 ZINC000436875004 1021320246 /nfs/dbraw/zinc/32/02/46/1021320246.db2.gz XHEKWRPNINBCEW-STQMWFEESA-N -1 0 331.318 3.615 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CCc2c[nH]c3c2cccc3C)c1 ZINC000436878784 1021328171 /nfs/dbraw/zinc/32/81/71/1021328171.db2.gz USJHKRMYBUMDLE-UHFFFAOYSA-N -1 0 336.391 3.956 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)C2=Cc3cc(Cl)ccc3OC2)c1 ZINC000436878073 1021328567 /nfs/dbraw/zinc/32/85/67/1021328567.db2.gz RGLJAQIYHOPOSA-UHFFFAOYSA-N -1 0 343.766 3.663 20 0 EHADRM [O-]c1ccc(Cl)cc1-c1nc(-c2ccc(N3CCCC3)nc2)no1 ZINC000436901302 1021362943 /nfs/dbraw/zinc/36/29/43/1021362943.db2.gz ATYAHDQSQAULIH-UHFFFAOYSA-N -1 0 342.786 3.758 20 0 EHADRM O=C(c1cc(F)cc(Br)c1[O-])N1CCC[C@H](C2CC2)C1 ZINC000436919112 1021374811 /nfs/dbraw/zinc/37/48/11/1021374811.db2.gz AZEHVCPJVAVFGE-JTQLQIEISA-N -1 0 342.208 3.556 20 0 EHADRM Cc1cc(Cl)ncc1NC(=O)c1ccc(Br)cc1[O-] ZINC000305468029 1021386677 /nfs/dbraw/zinc/38/66/77/1021386677.db2.gz WLAYMBKSLFEHOH-UHFFFAOYSA-N -1 0 341.592 3.764 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2ccc(OC(F)F)c(F)c2)c1 ZINC000436933155 1021395095 /nfs/dbraw/zinc/39/50/95/1021395095.db2.gz GOGSGOXJHLARSP-UHFFFAOYSA-N -1 0 339.269 3.588 20 0 EHADRM CC(C)Cn1ncc(NC(=O)c2cc(F)c([O-])c(F)c2)c1C(F)F ZINC000436962251 1021409752 /nfs/dbraw/zinc/40/97/52/1021409752.db2.gz BMMIHMCKBNNODU-UHFFFAOYSA-N -1 0 345.296 3.713 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)c(O)c1 ZINC000436965040 1021412153 /nfs/dbraw/zinc/41/21/53/1021412153.db2.gz HPUKUBQQPALEEH-UHFFFAOYSA-N -1 0 336.395 3.563 20 0 EHADRM CN(CC1(O)CCC1)C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436960110 1021423847 /nfs/dbraw/zinc/42/38/47/1021423847.db2.gz POMMRSLSYQWANP-UHFFFAOYSA-N -1 0 345.826 3.700 20 0 EHADRM Cc1cc(Cl)cc([N-]S(=O)(=O)C[C@H](C)c2ccccc2)c1O ZINC000317642214 1021426005 /nfs/dbraw/zinc/42/60/05/1021426005.db2.gz XBXRNSWYXISYFF-LBPRGKRZSA-N -1 0 339.844 3.899 20 0 EHADRM CC(C)(CC(=O)Nc1cccc(OCCc2ccccc2)c1)C(=O)[O-] ZINC000507676523 1021436599 /nfs/dbraw/zinc/43/65/99/1021436599.db2.gz GJDGIOCRJFXKDZ-UHFFFAOYSA-N -1 0 341.407 3.748 20 0 EHADRM COc1ccc(OC)c(-c2noc(-c3cc(Cl)ccc3[O-])n2)c1 ZINC000436999715 1021470685 /nfs/dbraw/zinc/47/06/85/1021470685.db2.gz NEAFPIJRXSJTBX-UHFFFAOYSA-N -1 0 332.743 3.780 20 0 EHADRM O=S(=O)([N-]c1ccccc1O)c1cccc(-c2ccccc2)c1 ZINC000506591943 1021478846 /nfs/dbraw/zinc/47/88/46/1021478846.db2.gz DPOZIIHKUDSULH-UHFFFAOYSA-N -1 0 325.389 3.860 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)c(F)c1)c1cnc2ccsc2c1 ZINC000439562361 1021560141 /nfs/dbraw/zinc/56/01/41/1021560141.db2.gz LOSAXDWEJCANQV-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM Cn1ccc2ccc([N-]S(=O)(=O)c3cnc4ccsc4c3)cc21 ZINC000439568099 1021563055 /nfs/dbraw/zinc/56/30/55/1021563055.db2.gz GQPSJHWXRAOPHZ-UHFFFAOYSA-N -1 0 343.433 3.589 20 0 EHADRM O=S(=O)(Nc1ccc2oc(C3CC3)nc2c1)c1ccc(F)cc1 ZINC000032097248 1021582473 /nfs/dbraw/zinc/58/24/73/1021582473.db2.gz DQTZOFWXMYETCP-UHFFFAOYSA-N -1 0 332.356 3.645 20 0 EHADRM Cc1ccc(-c2[n-][nH]c(=NC(=O)c3cnc4ccccc4c3C)c2C)o1 ZINC000519683232 1021619172 /nfs/dbraw/zinc/61/91/72/1021619172.db2.gz HVHROGVKNUFMNV-UHFFFAOYSA-N -1 0 346.390 3.817 20 0 EHADRM CC(C)c1cnc([N-]S(=O)(=O)c2cnc3ccsc3c2)s1 ZINC000437175948 1021624958 /nfs/dbraw/zinc/62/49/58/1021624958.db2.gz KYJPLAZWHHZDGY-UHFFFAOYSA-N -1 0 339.467 3.677 20 0 EHADRM Clc1ccc(Cc2n[n-]c(=NC[C@@H]3CCCSC3)s2)cc1 ZINC000516677497 1021645281 /nfs/dbraw/zinc/64/52/81/1021645281.db2.gz DPMZRAHZWXKPMZ-LBPRGKRZSA-N -1 0 339.917 3.759 20 0 EHADRM O=S(=O)([N-][C@H]1CCC[C@H]1c1ccccc1)c1c(F)cccc1F ZINC000518967368 1021723948 /nfs/dbraw/zinc/72/39/48/1021723948.db2.gz LOKKSZLCZSEBRY-BBRMVZONSA-N -1 0 337.391 3.579 20 0 EHADRM O=C([O-])CN(Cc1ccccc1)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000519861424 1021733923 /nfs/dbraw/zinc/73/39/23/1021733923.db2.gz GTKROOJFCMPBMV-UHFFFAOYSA-N -1 0 336.750 3.598 20 0 EHADRM Cc1sc(N2CCC[C@H]2c2cccc(N(C)C)c2)nc1C(=O)[O-] ZINC000518984951 1021740561 /nfs/dbraw/zinc/74/05/61/1021740561.db2.gz KGZTUORWLJAHDY-AWEZNQCLSA-N -1 0 331.441 3.557 20 0 EHADRM O=C(N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1ccc([O-])c(Cl)c1 ZINC000437357426 1021754675 /nfs/dbraw/zinc/75/46/75/1021754675.db2.gz GPDWGSHVZWIJMZ-TVQRCGJNSA-N -1 0 341.716 3.749 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCCC(F)(F)C3)n2)cc1 ZINC000652745556 1021791779 /nfs/dbraw/zinc/79/17/79/1021791779.db2.gz ZSVVDIAEKZIPQR-UHFFFAOYSA-N -1 0 349.381 3.573 20 0 EHADRM CC[C@@H]1CCc2nc([N-]S(=O)(=O)c3sccc3C)sc2C1 ZINC000437414308 1021809456 /nfs/dbraw/zinc/80/94/56/1021809456.db2.gz TZFKSNGIYDNOSF-SNVBAGLBSA-N -1 0 342.511 3.829 20 0 EHADRM O=c1nc(-c2ccc3cc[nH]c3n2)[n-]c2c(-c3ccccc3)nsc21 ZINC000516903613 1021823847 /nfs/dbraw/zinc/82/38/47/1021823847.db2.gz RSVIWWMNQXIVPJ-UHFFFAOYSA-N -1 0 345.387 3.590 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1ccc(C3CCC3)cc1)CC2 ZINC000439923612 1021829963 /nfs/dbraw/zinc/82/99/63/1021829963.db2.gz QZJNWFGXHJHOCM-UHFFFAOYSA-N -1 0 335.403 3.851 20 0 EHADRM Cc1cc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])ccc1Cl ZINC000439925103 1021832268 /nfs/dbraw/zinc/83/22/68/1021832268.db2.gz UHJTXFBEFWWXGT-WBMJQRKESA-N -1 0 331.799 3.840 20 0 EHADRM CCN(CC)C(=O)N(C)[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000548244089 1021851889 /nfs/dbraw/zinc/85/18/89/1021851889.db2.gz HPXRWNWGUFOMQA-LBPRGKRZSA-N -1 0 333.215 3.513 20 0 EHADRM O=C(N[C@@H]1CCc2sc(Cl)cc21)c1cc(F)c(F)c([O-])c1F ZINC000426543455 1021869988 /nfs/dbraw/zinc/86/99/88/1021869988.db2.gz XSFYVIWCSRNZRW-MRVPVSSYSA-N -1 0 347.745 3.942 20 0 EHADRM CCCOc1ccc([C@@H](C)N=c2nc(C3CC3)[n-]s2)cc1OC ZINC000426559928 1021913055 /nfs/dbraw/zinc/91/30/55/1021913055.db2.gz ZWJQDBWWSPZQGS-LLVKDONJSA-N -1 0 333.457 3.808 20 0 EHADRM Cc1ccc(CC(=O)[N-]S(=O)(=O)c2cccc(Cl)c2)s1 ZINC000049004057 1021927579 /nfs/dbraw/zinc/92/75/79/1021927579.db2.gz CAFIQMDIFGGULN-UHFFFAOYSA-N -1 0 329.830 3.598 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2sc(CC)cc2C#N)s1 ZINC000519248653 1021959639 /nfs/dbraw/zinc/95/96/39/1021959639.db2.gz YIBYHQMRYZDRHY-UHFFFAOYSA-N -1 0 326.468 3.607 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cnn1CC(C)C ZINC000517071915 1021997476 /nfs/dbraw/zinc/99/74/76/1021997476.db2.gz GZMRATMYTASYRT-UHFFFAOYSA-N -1 0 333.457 3.526 20 0 EHADRM CSc1ccccc1[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000440291853 1022072004 /nfs/dbraw/zinc/07/20/04/1022072004.db2.gz GAJBTYAPTVUTEF-UHFFFAOYSA-N -1 0 329.393 3.796 20 0 EHADRM CCC[C@H](CC)S(=O)(=O)Nc1ccc(F)cc1-c1nnc(C)o1 ZINC000517155049 1022079411 /nfs/dbraw/zinc/07/94/11/1022079411.db2.gz XKCCIJRMGNMEDY-LBPRGKRZSA-N -1 0 341.408 3.505 20 0 EHADRM Cc1nc(CNCc2c(Cl)oc3ccccc32)ccc1C(=O)[O-] ZINC000426652297 1022158626 /nfs/dbraw/zinc/15/86/26/1022158626.db2.gz SCTWAMVJJCUSDX-UHFFFAOYSA-N -1 0 330.771 3.778 20 0 EHADRM CSC[C@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000581894033 1022181213 /nfs/dbraw/zinc/18/12/13/1022181213.db2.gz HTPLTIHYVZYXEH-JTQLQIEISA-N -1 0 333.375 3.626 20 0 EHADRM O=C(Nc1ccccc1)c1cccc(C(=O)Nc2ccccc2)c1[O-] ZINC000142273097 1033041138 /nfs/dbraw/zinc/04/11/38/1033041138.db2.gz BQEDYZPDPUMSPZ-UHFFFAOYSA-N -1 0 332.359 3.897 20 0 EHADRM Cc1cccc(NCCN=c2[n-]nc(-c3ccccc3Cl)s2)n1 ZINC000546180038 1022262971 /nfs/dbraw/zinc/26/29/71/1022262971.db2.gz DHOZTHAYNZJODH-UHFFFAOYSA-N -1 0 345.859 3.508 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)c1[nH]c2ccc(F)cc2c1Cl)C(=O)[O-] ZINC000517376605 1022294025 /nfs/dbraw/zinc/29/40/25/1022294025.db2.gz CHVCPWCEYFSIDR-PRHODGIISA-N -1 0 340.782 3.580 20 0 EHADRM O=S(=O)([N-]c1cccc(C(F)(F)F)n1)c1cc2ccccc2o1 ZINC000084919772 1022380267 /nfs/dbraw/zinc/38/02/67/1022380267.db2.gz YRKZQFWMHDOJAP-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM COc1cc(CN(C)[C@@H](C(=O)[O-])c2ccsc2)ccc1SC ZINC000517575417 1022454720 /nfs/dbraw/zinc/45/47/20/1022454720.db2.gz FHOFIZMBBUSMLP-OAHLLOKOSA-N -1 0 337.466 3.736 20 0 EHADRM CC(C)CCOc1ccc(CNCc2nc(C(=O)[O-])cs2)cc1 ZINC000426665263 1022634190 /nfs/dbraw/zinc/63/41/90/1022634190.db2.gz JVYXDMSVAXDCKX-UHFFFAOYSA-N -1 0 334.441 3.556 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000517770556 1022635666 /nfs/dbraw/zinc/63/56/66/1022635666.db2.gz WMKNWKLHHLQGRV-TZMCWYRMSA-N -1 0 332.400 3.601 20 0 EHADRM [O-]c1cc(Br)ccc1-c1nc(-c2ccc(O)cc2)no1 ZINC000111687300 1022704176 /nfs/dbraw/zinc/70/41/76/1022704176.db2.gz MCURDHJPGUSIAO-UHFFFAOYSA-N -1 0 333.141 3.577 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])[S@](=O)Cc1ccccc1OCc1ccccc1 ZINC000593931933 1033079927 /nfs/dbraw/zinc/07/99/27/1033079927.db2.gz QLUYKHFPWGUXFR-MHECFPHRSA-N -1 0 346.448 3.624 20 0 EHADRM CC[C@@H](NC(=O)N(CC(=O)[O-])[C@@H](C)CC)c1cccc(Cl)c1 ZINC000517876902 1022797286 /nfs/dbraw/zinc/79/72/86/1022797286.db2.gz PLZKULNTPWWGRI-SMDDNHRTSA-N -1 0 326.824 3.686 20 0 EHADRM CC(C)[C@H]1C[C@H](NC(=O)c2ccc(Cl)c(Cl)c2[O-])CCO1 ZINC000334088080 1022849019 /nfs/dbraw/zinc/84/90/19/1022849019.db2.gz ZTDXOEGHAUWGSF-BXKDBHETSA-N -1 0 332.227 3.632 20 0 EHADRM CC(C)(C)OC1CC(CCNC(=O)CC2(CC(=O)[O-])CCCC2)C1 ZINC000430914000 1022864490 /nfs/dbraw/zinc/86/44/90/1022864490.db2.gz ZYHKDFQBHIGTIY-UHFFFAOYSA-N -1 0 339.476 3.512 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000517961482 1022885386 /nfs/dbraw/zinc/88/53/86/1022885386.db2.gz QCDZNBMVDVXQCZ-MGPLVRAMSA-N -1 0 327.371 3.669 20 0 EHADRM Cc1noc(C)c1S(=O)(=O)N[C@H](C)c1ccc(F)c2ccccc21 ZINC000341668474 1022923389 /nfs/dbraw/zinc/92/33/89/1022923389.db2.gz WZDADQDFTJWYEJ-SNVBAGLBSA-N -1 0 348.399 3.623 20 0 EHADRM CCO[C@@H](CC)c1noc(-c2cccc(Br)c2[O-])n1 ZINC000665038536 1022958172 /nfs/dbraw/zinc/95/81/72/1022958172.db2.gz IUWRSBBPTMPEFI-JTQLQIEISA-N -1 0 327.178 3.692 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N[C@H]2CCc3ccc(F)cc32)s1 ZINC000518057441 1022961194 /nfs/dbraw/zinc/96/11/94/1022961194.db2.gz FRGBXBCPYLNCMX-AWEZNQCLSA-N -1 0 348.447 3.812 20 0 EHADRM CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000518062129 1022966513 /nfs/dbraw/zinc/96/65/13/1022966513.db2.gz OMQOGHFALSXJNB-UHFFFAOYSA-N -1 0 349.843 3.901 20 0 EHADRM Cc1cc(C(=O)N(CC(=O)[O-])C2CCC2)sc1-c1ccc(F)cc1 ZINC000655591489 1022983076 /nfs/dbraw/zinc/98/30/76/1022983076.db2.gz PMPGEJHKIMVZHZ-UHFFFAOYSA-N -1 0 347.411 3.942 20 0 EHADRM O=S(=O)([N-]c1nc(Cc2ccccc2)cs1)c1ccccc1 ZINC000171155181 1033099019 /nfs/dbraw/zinc/09/90/19/1033099019.db2.gz AGPKAPXNVYPZTH-UHFFFAOYSA-N -1 0 330.434 3.535 20 0 EHADRM C[C@@H]1CCc2nc(CN[C@@H](C(=O)[O-])C3(C)CCCCC3)sc2C1 ZINC000426736800 1023006795 /nfs/dbraw/zinc/00/67/95/1023006795.db2.gz KEVZWSKJCSPMTJ-WBMJQRKESA-N -1 0 336.501 3.781 20 0 EHADRM O=C([O-])[C@@H](NCc1ccc(C(F)(F)F)cc1)c1c(F)cccc1F ZINC000426741090 1023009003 /nfs/dbraw/zinc/00/90/03/1023009003.db2.gz JSLHPKYJRUNMLQ-AWEZNQCLSA-N -1 0 345.267 3.899 20 0 EHADRM C[C@@H]1C[C@@H](C)N1Cc1cc(Br)c([O-])c(Br)c1 ZINC000668090335 1023021609 /nfs/dbraw/zinc/02/16/09/1023021609.db2.gz KZAIVPPGFWNRHL-HTQZYQBOSA-N -1 0 349.066 3.900 20 0 EHADRM O=C(Nc1ccsc1Cl)c1nn(-c2ccccc2F)cc1[O-] ZINC000189505029 1023041857 /nfs/dbraw/zinc/04/18/57/1023041857.db2.gz DWSUZMQGDWXYQE-UHFFFAOYSA-N -1 0 337.763 3.684 20 0 EHADRM Cc1cc(CN[C@@H](C(=O)[O-])c2ccccc2)sc1Br ZINC000426786179 1023042570 /nfs/dbraw/zinc/04/25/70/1023042570.db2.gz UCCKGXSDQACVCD-GFCCVEGCSA-N -1 0 340.242 3.735 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])[S@](=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000562978617 1023050594 /nfs/dbraw/zinc/05/05/94/1023050594.db2.gz TVBIZTCHBNTGKK-WIUDPPPLSA-N -1 0 342.766 3.966 20 0 EHADRM COc1ccccc1[C@@H](NCc1cc2cc(C)c(C)cc2o1)C(=O)[O-] ZINC000426795502 1023053306 /nfs/dbraw/zinc/05/33/06/1023053306.db2.gz YHGQEEAXXDKREL-LJQANCHMSA-N -1 0 339.391 3.974 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1)c1cncc(Cl)c1 ZINC000506995055 1023068816 /nfs/dbraw/zinc/06/88/16/1023068816.db2.gz OULTZWIBULLNCU-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM CCN(CCC1CC1)C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000546204311 1023069042 /nfs/dbraw/zinc/06/90/42/1023069042.db2.gz MNETWJNJNUYSNL-UHFFFAOYSA-N -1 0 341.455 3.964 20 0 EHADRM CCc1ccc([C@H](NCc2cc3cc(OC)ccc3o2)C(=O)[O-])cc1 ZINC000426823402 1023069403 /nfs/dbraw/zinc/06/94/03/1023069403.db2.gz IYYNGUZFIZPZLT-IBGZPJMESA-N -1 0 339.391 3.919 20 0 EHADRM Cc1cc(-c2ncccc2[N-]S(=O)(=O)c2c(C)noc2C)cs1 ZINC000189720813 1023096026 /nfs/dbraw/zinc/09/60/26/1023096026.db2.gz GWMIEOQVELSPCL-UHFFFAOYSA-N -1 0 349.437 3.524 20 0 EHADRM Cc1ccc(-c2ncccc2[N-]S(=O)(=O)c2c(C)noc2C)s1 ZINC000189747405 1023099311 /nfs/dbraw/zinc/09/93/11/1023099311.db2.gz KNQZODXQWXKDPX-UHFFFAOYSA-N -1 0 349.437 3.524 20 0 EHADRM CC(C)C[C@@H](NC(=O)N[C@H](C)c1cccc2ccccc21)C(=O)[O-] ZINC000196021626 1033105202 /nfs/dbraw/zinc/10/52/02/1033105202.db2.gz NVQXBJLZZVSJBP-CXAGYDPISA-N -1 0 328.412 3.699 20 0 EHADRM CC(C)c1ccc(S(=O)(=O)[N-]c2c3c(nn2C(C)C)CCC3)cc1 ZINC000471908174 1023109637 /nfs/dbraw/zinc/10/96/37/1023109637.db2.gz WOZPJTKLMGLDMO-UHFFFAOYSA-N -1 0 347.484 3.877 20 0 EHADRM COc1ccc(F)cc1NC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1 ZINC000237175981 1023109834 /nfs/dbraw/zinc/10/98/34/1023109834.db2.gz ZIBNGSWUWSJEMO-GOSISDBHSA-N -1 0 337.391 3.834 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2CC[C@@H]2c2ccccc2)n1 ZINC000438991276 1023196076 /nfs/dbraw/zinc/19/60/76/1023196076.db2.gz MRGVIEAFTVYENC-QGZVFWFLSA-N -1 0 347.418 3.728 20 0 EHADRM C/C(=C\c1ccccc1)CN(C)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000427580737 1023200390 /nfs/dbraw/zinc/20/03/90/1023200390.db2.gz QPAGDPDBZLFNGY-DHZHZOJOSA-N -1 0 335.325 3.985 20 0 EHADRM CCOCc1ccccc1CN=c1[n-]c(-c2cccc(Cl)c2)no1 ZINC000593994282 1033116261 /nfs/dbraw/zinc/11/62/61/1033116261.db2.gz NJPZEQZBKUJWHT-UHFFFAOYSA-N -1 0 343.814 3.961 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccoc1CC(=O)[O-])C1CC1 ZINC000909405720 1023249388 /nfs/dbraw/zinc/24/93/88/1023249388.db2.gz YHHWVSMBWLPGJX-LLVKDONJSA-N -1 0 347.798 3.926 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1cn(CC(C)C)nc1C(F)F ZINC000341756028 1023264429 /nfs/dbraw/zinc/26/44/29/1023264429.db2.gz RTHFBLHWQWLIAI-UHFFFAOYSA-N -1 0 349.428 3.647 20 0 EHADRM CCn1c(C)cc(C([O-])=C[S@@](=O)[C@H](C)c2ccc(F)cc2)c1C ZINC000341780644 1023309179 /nfs/dbraw/zinc/30/91/79/1023309179.db2.gz WUGIRKXAURYPTN-QKFKETGDSA-N -1 0 335.444 3.957 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(-c3ccccc3C)[nH]n2)s1 ZINC000431158618 1023360941 /nfs/dbraw/zinc/36/09/41/1023360941.db2.gz CMYMFBNDWGJSHZ-UHFFFAOYSA-N -1 0 347.465 3.864 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)nc1 ZINC000598369722 1033132779 /nfs/dbraw/zinc/13/27/79/1033132779.db2.gz UXYLQRMPYABJJB-UHFFFAOYSA-N -1 0 334.441 3.616 20 0 EHADRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccccc2F)c1C1CC1 ZINC000535685814 1023564091 /nfs/dbraw/zinc/56/40/91/1023564091.db2.gz MLTVOJONVGWDOJ-NSHDSACASA-N -1 0 337.420 3.671 20 0 EHADRM CCc1cnccc1[C@@H](C)NC(=O)c1cc(O)cc(Br)c1 ZINC000528967203 1033149127 /nfs/dbraw/zinc/14/91/27/1033149127.db2.gz WCSYZFSHIUPNFX-SNVBAGLBSA-N -1 0 349.228 3.603 20 0 EHADRM CC(C)CC[C@@H]1CCCCN1C(=O)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000471980307 1023730561 /nfs/dbraw/zinc/73/05/61/1023730561.db2.gz UREZPJGMQFPJMT-LBPRGKRZSA-N -1 0 344.381 3.740 20 0 EHADRM Cc1noc(C)c1S(=O)(=O)NCC1CCC(c2ccccc2)CC1 ZINC000342047338 1023788816 /nfs/dbraw/zinc/78/88/16/1023788816.db2.gz VZDJPJZDQALCGG-UHFFFAOYSA-N -1 0 348.468 3.544 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(CC(=O)[O-])cc2)nn1C1CCCCC1 ZINC000909505969 1023969027 /nfs/dbraw/zinc/96/90/27/1023969027.db2.gz LDJLOQLLZVQQNJ-UHFFFAOYSA-N -1 0 341.411 3.576 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)c2ccc(C(F)F)cc2)sc1C(=O)[O-] ZINC000909508281 1024044916 /nfs/dbraw/zinc/04/49/16/1024044916.db2.gz RZFMBMZPFNXWSJ-MRVPVSSYSA-N -1 0 340.351 3.578 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000522539193 1024048828 /nfs/dbraw/zinc/04/88/28/1024048828.db2.gz NKTYQUUQPORMKE-OLZOCXBDSA-N -1 0 348.233 3.825 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000522539931 1024051793 /nfs/dbraw/zinc/05/17/93/1024051793.db2.gz ODVYZEIMANJKRY-MSOLQXFVSA-N -1 0 329.403 3.671 20 0 EHADRM O=C(Nc1ccc(Cl)c(F)c1)c1ncc(Br)cc1[O-] ZINC001625879728 1033185042 /nfs/dbraw/zinc/18/50/42/1033185042.db2.gz OHZACMACTKASPV-UHFFFAOYSA-N -1 0 345.555 3.595 20 0 EHADRM O=C([O-])[C@@]1(NCc2sccc2Cl)CCc2c1cccc2F ZINC000417571826 1024083523 /nfs/dbraw/zinc/08/35/23/1024083523.db2.gz UWMWJFBQSVXAIO-OAHLLOKOSA-N -1 0 325.792 3.557 20 0 EHADRM CCOc1ccc(-c2ccccc2[C@@H](OC)C(=O)[O-])cc1OCC ZINC000657203914 1024084663 /nfs/dbraw/zinc/08/46/63/1024084663.db2.gz HRIJTYBVUWFOGZ-GOSISDBHSA-N -1 0 330.380 3.923 20 0 EHADRM COc1cc(C)c(-c2ccc(O[C@@H]3CCOC3)c(C)c2)cc1C(=O)[O-] ZINC000657204744 1024087027 /nfs/dbraw/zinc/08/70/27/1024087027.db2.gz BTERTLNACFASCP-OAHLLOKOSA-N -1 0 342.391 3.845 20 0 EHADRM CC(C)Oc1c(NCc2cccc3c2OCO3)cccc1C(=O)[O-] ZINC000417576399 1024095280 /nfs/dbraw/zinc/09/52/80/1024095280.db2.gz HUHNOCAKEZFWDO-UHFFFAOYSA-N -1 0 329.352 3.513 20 0 EHADRM C[C@@H](CCc1ccc(-c2cccc(C(N)=O)c2F)cc1)CC(=O)[O-] ZINC000657206333 1024128720 /nfs/dbraw/zinc/12/87/20/1024128720.db2.gz KLNBNWCTXFQDPW-LBPRGKRZSA-N -1 0 329.371 3.635 20 0 EHADRM COCCCOc1ccc(-c2ccc3c(CC(=O)[O-])c[nH]c3c2)cc1 ZINC000657207796 1024130502 /nfs/dbraw/zinc/13/05/02/1024130502.db2.gz XNTFRPBYLWVTAT-UHFFFAOYSA-N -1 0 339.391 3.877 20 0 EHADRM CC(C)(C)n1cc(-c2ccc(C(F)(F)F)cc2CO)c(C(=O)[O-])n1 ZINC000657207456 1024130616 /nfs/dbraw/zinc/13/06/16/1024130616.db2.gz LWMILXJCJFZOSM-UHFFFAOYSA-N -1 0 342.317 3.514 20 0 EHADRM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C(F)(F)F ZINC000443936274 1024132486 /nfs/dbraw/zinc/13/24/86/1024132486.db2.gz PUNVGTBTDHUYFJ-HQJQHLMTSA-N -1 0 347.761 3.734 20 0 EHADRM COc1ccc(OC)c(CNc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC000417605088 1024138632 /nfs/dbraw/zinc/13/86/32/1024138632.db2.gz AALXWQKEUVMYJE-CYBMUJFWSA-N -1 0 329.396 3.579 20 0 EHADRM O=C([O-])[C@]1(CC(=O)Nc2c(F)cccc2F)CCCc2ccccc21 ZINC000634815817 1024145742 /nfs/dbraw/zinc/14/57/42/1024145742.db2.gz KWNGXLFXJKNPCJ-IBGZPJMESA-N -1 0 345.345 3.652 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000520586940 1024161094 /nfs/dbraw/zinc/16/10/94/1024161094.db2.gz OYRNQKLPQWTIAI-XUJLQICISA-N -1 0 347.455 3.999 20 0 EHADRM Cc1ccc(CN(Cc2ccco2)C(=O)CC2(C(=O)[O-])CCC2)s1 ZINC000262339154 1024215371 /nfs/dbraw/zinc/21/53/71/1024215371.db2.gz AAWOCWFSNGDRPR-UHFFFAOYSA-N -1 0 347.436 3.823 20 0 EHADRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cccc2ccn(C)c21 ZINC000434626652 1024224408 /nfs/dbraw/zinc/22/44/08/1024224408.db2.gz JEOAGTZSHMLKHC-UHFFFAOYSA-N -1 0 344.436 3.605 20 0 EHADRM Cc1ccccc1S([O-])=CC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000108090645 1024235827 /nfs/dbraw/zinc/23/58/27/1024235827.db2.gz ODTBTUJISGKOLR-MCMMXHMISA-N -1 0 335.856 3.633 20 0 EHADRM O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@@H](O)c2ccc3ccccc3c2)c1 ZINC000067427828 1024284633 /nfs/dbraw/zinc/28/46/33/1024284633.db2.gz CZKCCJCJOOZAND-YBCYLVPRSA-N -1 0 336.347 3.606 20 0 EHADRM O=C(NCCc1c[nH]c2cc(F)ccc12)c1ccc([O-])c(Cl)c1 ZINC000051462708 1024308758 /nfs/dbraw/zinc/30/87/58/1024308758.db2.gz XFBLIMIDHALPOU-UHFFFAOYSA-N -1 0 332.762 3.639 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2ccc3ccccc3n2)c(C)c1 ZINC000520644441 1024337254 /nfs/dbraw/zinc/33/72/54/1024337254.db2.gz PAJQMBQYFIGVEY-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nc3c(s2)CCCC3)c(C)s1 ZINC000193857825 1024363122 /nfs/dbraw/zinc/36/31/22/1024363122.db2.gz SSFNSOZIRXTAPZ-UHFFFAOYSA-N -1 0 328.484 3.501 20 0 EHADRM Fc1cccc(COc2ccc(CN=c3[n-]nc(C(F)F)o3)cc2)c1 ZINC000346092779 1024393894 /nfs/dbraw/zinc/39/38/94/1024393894.db2.gz YMWCANISBZXMMR-UHFFFAOYSA-N -1 0 349.312 3.759 20 0 EHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)N=c2[n-]nc(C(F)F)s2)CC1 ZINC000469656909 1024419631 /nfs/dbraw/zinc/41/96/31/1024419631.db2.gz VDNYTXNDKCJLBE-ZJUUUORDSA-N -1 0 332.420 3.624 20 0 EHADRM Brc1cccc(CN=c2[n-]nc(C3CCCCC3)o2)c1 ZINC000346126562 1024426456 /nfs/dbraw/zinc/42/64/56/1024426456.db2.gz GISMGEMKCIHNEK-UHFFFAOYSA-N -1 0 336.233 3.914 20 0 EHADRM c1ccc(COCCC2(CN=c3[n-]nc(C4CC4)s3)CC2)cc1 ZINC000350731947 1024457471 /nfs/dbraw/zinc/45/74/71/1024457471.db2.gz HTIZMGROMQDKPZ-UHFFFAOYSA-N -1 0 329.469 3.636 20 0 EHADRM CCCC[C@@H](NC(=O)c1cc(Cl)ccc1SCC)C(=O)[O-] ZINC000184992067 1024528507 /nfs/dbraw/zinc/52/85/07/1024528507.db2.gz QMKCRHDGKLTERH-GFCCVEGCSA-N -1 0 329.849 3.825 20 0 EHADRM Cc1ccc2[nH]c([N-]S(=O)(=O)c3cccc(Cl)c3C)nc2c1 ZINC000427638452 1024602000 /nfs/dbraw/zinc/60/20/00/1024602000.db2.gz KWOBMJCZGMEJSQ-UHFFFAOYSA-N -1 0 335.816 3.634 20 0 EHADRM CC(=O)c1c(C)cc(C)c(C[S@@](=O)[C@H](CC(C)C)C(=O)[O-])c1C ZINC000514657241 1024641730 /nfs/dbraw/zinc/64/17/30/1024641730.db2.gz LUPOVBXJBRUBJH-WAIKUNEKSA-N -1 0 338.469 3.562 20 0 EHADRM Cc1cccc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1Cl ZINC000190851042 1024658023 /nfs/dbraw/zinc/65/80/23/1024658023.db2.gz ARWRPCNQFDUUAG-MLGOLLRUSA-N -1 0 331.799 3.840 20 0 EHADRM Cc1ccc2sc(C(=O)N=c3[n-]ncn3Cc3ccccc3)cc2c1 ZINC000514695759 1024677672 /nfs/dbraw/zinc/67/76/72/1024677672.db2.gz CPOSDXYHNCVJQD-UHFFFAOYSA-N -1 0 348.431 3.524 20 0 EHADRM CC(C)[C@H](SCc1ccccc1)C(=O)[N-]OCc1ccccn1 ZINC000909526774 1024726798 /nfs/dbraw/zinc/72/67/98/1024726798.db2.gz AZBCDAITKGCXMI-KRWDZBQOSA-N -1 0 330.453 3.587 20 0 EHADRM CC(C)c1nn(C)cc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000281185121 1024726767 /nfs/dbraw/zinc/72/67/67/1024726767.db2.gz QWQYTEWVIPNEPW-UHFFFAOYSA-N -1 0 348.255 3.651 20 0 EHADRM C[C@@H](N=c1nc(C2CC2)[n-]s1)c1cccc(OC(F)(F)F)c1 ZINC000441812717 1024745210 /nfs/dbraw/zinc/74/52/10/1024745210.db2.gz HIXZWEQBKUSTOY-MRVPVSSYSA-N -1 0 329.347 3.909 20 0 EHADRM Cc1cccc(S([O-])=CC(=O)N[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000108103157 1024763648 /nfs/dbraw/zinc/76/36/48/1024763648.db2.gz HJZSVJDYVSCKCH-XMHCIUCPSA-N -1 0 335.856 3.633 20 0 EHADRM O=S(=O)([N-]c1cccc(F)c1O)c1cc(Cl)sc1Cl ZINC000707917033 1024777240 /nfs/dbraw/zinc/77/72/40/1024777240.db2.gz LTAHKWSYGNRDRW-UHFFFAOYSA-N -1 0 342.200 3.700 20 0 EHADRM CCOCc1ccc(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])cc1 ZINC000514837005 1024779064 /nfs/dbraw/zinc/77/90/64/1024779064.db2.gz WXSBYOLQKHDQQG-QGZVFWFLSA-N -1 0 348.443 3.768 20 0 EHADRM CC(C)(C)c1coc([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)n1 ZINC000427782572 1024791214 /nfs/dbraw/zinc/79/12/14/1024791214.db2.gz KQRNVYZBUJCFQP-UHFFFAOYSA-N -1 0 346.811 3.707 20 0 EHADRM CCOC(=O)c1cnc(/C=C\c2cccc3cnccc23)c(C(=O)[O-])c1 ZINC000611909377 1033235052 /nfs/dbraw/zinc/23/50/52/1033235052.db2.gz VJZWANOSPSCDRK-SREVYHEPSA-N -1 0 348.358 3.675 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccccc2OCC(F)F)c1 ZINC000474389298 1024869045 /nfs/dbraw/zinc/86/90/45/1024869045.db2.gz HGMBXRMERWZNSF-UHFFFAOYSA-N -1 0 345.342 3.579 20 0 EHADRM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc(F)cc1F ZINC000014256086 1024907479 /nfs/dbraw/zinc/90/74/79/1024907479.db2.gz HDJPQASASFFKLW-UHFFFAOYSA-N -1 0 337.269 3.784 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ccc3c(Cl)cccc3n2)cc1 ZINC000508130230 1024908016 /nfs/dbraw/zinc/90/80/16/1024908016.db2.gz FXXUJEZOUIWOTC-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM COc1cnc(Br)c(Nc2cc(C)cc(C(=O)[O-])c2)c1 ZINC001211537560 1024939235 /nfs/dbraw/zinc/93/92/35/1024939235.db2.gz PEZWXOKGNUYIGE-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(C2CCCCC2)[nH]n1 ZINC000474427295 1024950035 /nfs/dbraw/zinc/95/00/35/1024950035.db2.gz PBSHITBNHATLNL-UHFFFAOYSA-N -1 0 337.420 3.706 20 0 EHADRM CC(C)Oc1cccc([C@H](C)NC(=O)N2CCCCC[C@@H]2C(=O)[O-])c1 ZINC000684720703 1024977175 /nfs/dbraw/zinc/97/71/75/1024977175.db2.gz LJCZBBZGJJUIPT-WMLDXEAASA-N -1 0 348.443 3.574 20 0 EHADRM COc1cc(C(=O)Nc2cc(F)cc(Cl)c2[O-])cc(OC)c1C ZINC000474446312 1024982689 /nfs/dbraw/zinc/98/26/89/1024982689.db2.gz ONHHKNDCCKHROB-UHFFFAOYSA-N -1 0 339.750 3.763 20 0 EHADRM CCc1oc(C(=O)N[C@@](C)(Cc2ccccc2)C2CC2)cc1C(=O)[O-] ZINC000515073892 1025012193 /nfs/dbraw/zinc/01/21/93/1025012193.db2.gz LUQHNRHLORBUTE-FQEVSTJZSA-N -1 0 341.407 3.681 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)c1 ZINC000071974275 1025054560 /nfs/dbraw/zinc/05/45/60/1025054560.db2.gz JKSRSXRYWYOLDG-UHFFFAOYSA-N -1 0 348.443 3.925 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N(CCC)Cc2ccccc2)s1 ZINC000515224703 1025106719 /nfs/dbraw/zinc/10/67/19/1025106719.db2.gz YQFISJQTGQWTTE-UHFFFAOYSA-N -1 0 332.473 3.747 20 0 EHADRM CCc1cccc(C)c1N=c1[n-]nc(SC[C@H]2CCOC2)s1 ZINC000515289386 1025153139 /nfs/dbraw/zinc/15/31/39/1025153139.db2.gz GRARFSORRQWZGC-LBPRGKRZSA-N -1 0 335.498 3.703 20 0 EHADRM C[C@H](NC(=O)N1CCCCC[C@H]1C(=O)[O-])c1c(F)cccc1Cl ZINC000684739287 1025156085 /nfs/dbraw/zinc/15/60/85/1025156085.db2.gz KJKRSRQTYQDGNZ-GWCFXTLKSA-N -1 0 342.798 3.579 20 0 EHADRM C/C=C\C[C@@H](NC(=O)Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)[O-] ZINC000684742502 1025186752 /nfs/dbraw/zinc/18/67/52/1025186752.db2.gz SWYQIQAJJMWDMB-LHRDXKRPSA-N -1 0 336.391 3.799 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)s1 ZINC000119789845 1025207215 /nfs/dbraw/zinc/20/72/15/1025207215.db2.gz FCGCNZBXILOITA-UHFFFAOYSA-N -1 0 334.422 3.766 20 0 EHADRM Cc1cc(F)cc(NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)c1 ZINC000684744238 1025207342 /nfs/dbraw/zinc/20/73/42/1025207342.db2.gz HSTKQKHJIVLBNU-IRXDYDNUSA-N -1 0 342.370 3.956 20 0 EHADRM Cc1cc(Nc2cc(Br)ncc2F)cc(C(=O)[O-])c1 ZINC001211539440 1025209284 /nfs/dbraw/zinc/20/92/84/1025209284.db2.gz WLOZPYHFLQZCGP-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)c2cccc(C3CC3)c2)sc1C(=O)[O-] ZINC000521369979 1025357774 /nfs/dbraw/zinc/35/77/74/1025357774.db2.gz JLTJWOFEOAZFEI-SNVBAGLBSA-N -1 0 330.409 3.518 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)N(C)Cc2ccc(F)cc2)cc1 ZINC000108066454 1025378958 /nfs/dbraw/zinc/37/89/58/1025378958.db2.gz OLNYXLFOLKXJEG-DEOSSOPVSA-N -1 0 347.455 3.715 20 0 EHADRM CCn1ccnc1[C@@H]1CCCCN1C(=O)c1ccc([O-])c(Cl)c1 ZINC000281707991 1025401021 /nfs/dbraw/zinc/40/10/21/1025401021.db2.gz HPFFEDWLMAVJQF-AWEZNQCLSA-N -1 0 333.819 3.629 20 0 EHADRM Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000342430898 1025417200 /nfs/dbraw/zinc/41/72/00/1025417200.db2.gz DKZCWPIAHBZFRS-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM Cc1n[nH]cc1-c1n[n-]c(=NCc2ccc(-c3ccccc3)o2)s1 ZINC000436153045 1025421297 /nfs/dbraw/zinc/42/12/97/1025421297.db2.gz JAQVWQGTLBCBGS-UHFFFAOYSA-N -1 0 337.408 3.531 20 0 EHADRM COc1cccc2c1[C@@H](C(=O)Nc1cc(F)cc(Cl)c1[O-])CC2 ZINC000347030097 1025424945 /nfs/dbraw/zinc/42/49/45/1025424945.db2.gz SZWQRSNQKMFNLY-NSHDSACASA-N -1 0 335.762 3.862 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc(Sc2ccccn2)cc1 ZINC000442747167 1025464087 /nfs/dbraw/zinc/46/40/87/1025464087.db2.gz WGLIQBLUPYWGIY-ZDUSSCGKSA-N -1 0 344.436 3.558 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2ccc(C3CCC3)cn2)cc1 ZINC000451049878 1025469530 /nfs/dbraw/zinc/46/95/30/1025469530.db2.gz LDZAPJPUZLUXBZ-UHFFFAOYSA-N -1 0 334.466 3.872 20 0 EHADRM CCCCCOc1ccc(S(=O)(=O)[N-]c2noc(C)c2C)cc1 ZINC000451052356 1025472047 /nfs/dbraw/zinc/47/20/47/1025472047.db2.gz XGCCHQGHAKASST-UHFFFAOYSA-N -1 0 338.429 3.661 20 0 EHADRM CCC(=O)c1cccc(S(=O)(=O)[N-]c2scnc2C(C)C)c1 ZINC000451103851 1025567277 /nfs/dbraw/zinc/56/72/77/1025567277.db2.gz OZJSIRKBJRZLOH-UHFFFAOYSA-N -1 0 338.454 3.660 20 0 EHADRM CCSCc1ccc([N-]S(=O)(=O)c2sccc2OC)cc1 ZINC000451105520 1025569635 /nfs/dbraw/zinc/56/96/35/1025569635.db2.gz JQDCGWCLUYQTRX-UHFFFAOYSA-N -1 0 343.495 3.811 20 0 EHADRM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000347198231 1025638027 /nfs/dbraw/zinc/63/80/27/1025638027.db2.gz VNXBWRDFOFMLKF-MRVPVSSYSA-N -1 0 341.251 3.613 20 0 EHADRM O=C([O-])[C@H](CC(=O)N[C@@H](c1ccco1)c1ccccc1)c1ccccc1 ZINC000054500352 1025658597 /nfs/dbraw/zinc/65/85/97/1025658597.db2.gz CMSVCWYTQATLQX-YLJYHZDGSA-N -1 0 349.386 3.744 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N(CC)Cc2ccc(Cl)cc2)s1 ZINC000521823232 1025713164 /nfs/dbraw/zinc/71/31/64/1025713164.db2.gz OITUBBXICHJBJO-UHFFFAOYSA-N -1 0 338.864 3.620 20 0 EHADRM Fc1cccc(N=c2[n-]nc(SCc3cncc(F)c3)s2)c1 ZINC000530368482 1025713330 /nfs/dbraw/zinc/71/33/30/1025713330.db2.gz RYIMQJOSKJJVOU-UHFFFAOYSA-N -1 0 336.392 3.669 20 0 EHADRM CC[C@H](NC(=O)NC[C@@H](C(=O)[O-])C1CCC1)c1ccc(Cl)s1 ZINC000665304704 1025715686 /nfs/dbraw/zinc/71/56/86/1025715686.db2.gz GBXIXUZOTVGGOA-MNOVXSKESA-N -1 0 344.864 3.653 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)Nc1cc(F)cc(Cl)c1 ZINC000392357157 1025721803 /nfs/dbraw/zinc/72/18/03/1025721803.db2.gz UIYPDRMLKMWQLX-OAHLLOKOSA-N -1 0 348.761 3.695 20 0 EHADRM CCCC[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000347253328 1025733425 /nfs/dbraw/zinc/73/34/25/1025733425.db2.gz AFOIMAADVHGYRY-MDZLAQPJSA-N -1 0 344.238 3.857 20 0 EHADRM CCCC[C@H](NC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000347258042 1025750240 /nfs/dbraw/zinc/75/02/40/1025750240.db2.gz JCPIGXFVFZYCFQ-MJBXVCDLSA-N -1 0 344.238 3.857 20 0 EHADRM Cc1ccc(N(C)S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])cc1 ZINC000436479337 1025756812 /nfs/dbraw/zinc/75/68/12/1025756812.db2.gz VDDSAZVRIOMZGE-UHFFFAOYSA-N -1 0 345.342 3.545 20 0 EHADRM CC[C@H](Nc1ccccc1)C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000521904760 1025756939 /nfs/dbraw/zinc/75/69/39/1025756939.db2.gz CAYSSHDPMQIUJG-ZDUSSCGKSA-N -1 0 344.465 3.518 20 0 EHADRM CCCC[C@@H](NC(=O)c1ccccc1OC1CCCCC1)C(=O)[O-] ZINC000347271980 1025778765 /nfs/dbraw/zinc/77/87/65/1025778765.db2.gz VYJMNLOADHUANL-MRXNPFEDSA-N -1 0 333.428 3.771 20 0 EHADRM COc1ccc(-c2n[n-]c(=NCc3ccc(C(F)F)cc3)o2)cc1 ZINC000530422238 1025792460 /nfs/dbraw/zinc/79/24/60/1025792460.db2.gz DPZPNIBPUHZXBL-UHFFFAOYSA-N -1 0 331.322 3.717 20 0 EHADRM COC(=O)c1ccc(O)c(NC(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000436506175 1025799349 /nfs/dbraw/zinc/79/93/49/1025799349.db2.gz RYUZKCMXGIRXFX-UHFFFAOYSA-N -1 0 340.162 3.738 20 0 EHADRM O=C(N=c1cc(C2CCCCCC2)[nH][nH]1)c1cc(F)c([O-])c(F)c1 ZINC000436525420 1025829145 /nfs/dbraw/zinc/82/91/45/1025829145.db2.gz NSJYJMFHPPCDGR-UHFFFAOYSA-N -1 0 335.354 3.506 20 0 EHADRM CC(C)(C)c1cnc([N-]S(=O)(=O)Cc2c(F)cccc2F)s1 ZINC000521968344 1025836350 /nfs/dbraw/zinc/83/63/50/1025836350.db2.gz PGPIHBMVGXOVHH-UHFFFAOYSA-N -1 0 346.424 3.661 20 0 EHADRM CC[C@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C[C@@H](C)O1 ZINC000436547723 1025851660 /nfs/dbraw/zinc/85/16/60/1025851660.db2.gz PONDAJPQGFODCE-NEPJUHHUSA-N -1 0 333.815 3.838 20 0 EHADRM O=S(=O)(CCCCF)[N-]c1ncccc1OCC1CCCCC1 ZINC000342495117 1025862299 /nfs/dbraw/zinc/86/22/99/1025862299.db2.gz UOBZXHJVUQZAFY-UHFFFAOYSA-N -1 0 344.452 3.532 20 0 EHADRM O=C(NCCOC1CCCCC1)c1c([O-])cc(Cl)cc1Cl ZINC000436539352 1025869946 /nfs/dbraw/zinc/86/99/46/1025869946.db2.gz OFSQTNOUZDTIDJ-UHFFFAOYSA-N -1 0 332.227 3.778 20 0 EHADRM O=C(NCCOCc1ccccc1)c1c([O-])cc(Cl)cc1Cl ZINC000436576656 1025880923 /nfs/dbraw/zinc/88/09/23/1025880923.db2.gz QANJHDOSXUBMJW-UHFFFAOYSA-N -1 0 340.206 3.646 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)Nc1cc(Cl)c(OC)c(Cl)c1)C(=O)[O-] ZINC000582338761 1025890196 /nfs/dbraw/zinc/89/01/96/1025890196.db2.gz GSGFFXBLGLNCFF-RDDDGLTNSA-N -1 0 349.214 3.623 20 0 EHADRM CC(C)c1ccc(OCCNC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000436567710 1025895953 /nfs/dbraw/zinc/89/59/53/1025895953.db2.gz UDTUPBHZYBASHB-UHFFFAOYSA-N -1 0 333.815 3.978 20 0 EHADRM CC(C)n1cc2c(n1)C[C@H](NC(=O)c1cc3ccccc3cc1O)CC2 ZINC000436595464 1025914143 /nfs/dbraw/zinc/91/41/43/1025914143.db2.gz IQWVHKMRRBRNDB-QGZVFWFLSA-N -1 0 349.434 3.610 20 0 EHADRM Cc1cc(C[C@@H](C)NC(=O)c2cc(Cl)c3ccccc3c2[O-])[nH]n1 ZINC000436596237 1025915297 /nfs/dbraw/zinc/91/52/97/1025915297.db2.gz PMWXPMSMVHJLGL-SNVBAGLBSA-N -1 0 343.814 3.591 20 0 EHADRM CCC[C@H](CC)[S@](=O)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000582345087 1025921242 /nfs/dbraw/zinc/92/12/42/1025921242.db2.gz PQTDAKBJVDXLHG-QUJCMNEKSA-N -1 0 347.274 3.902 20 0 EHADRM CC[C@H](O)CN(Cc1ccccc1)C(=O)c1cc2ccccc2cc1O ZINC000436603708 1025936459 /nfs/dbraw/zinc/93/64/59/1025936459.db2.gz MTUJOXWBXCRYTF-IBGZPJMESA-N -1 0 349.430 3.959 20 0 EHADRM O=C(N[C@H]1C[C@H](c2ccccc2F)C1)c1cc(F)c([O-])c(Cl)c1 ZINC000436633215 1025962387 /nfs/dbraw/zinc/96/23/87/1025962387.db2.gz GDDFUKBNEHUEJZ-HOMQSWHASA-N -1 0 337.753 4.000 20 0 EHADRM FC(F)(F)Cc1n[n-]c(=NCc2cc(Cl)ccc2Cl)s1 ZINC000475062618 1025966671 /nfs/dbraw/zinc/96/66/71/1025966671.db2.gz MAEATIQZGZDNFN-UHFFFAOYSA-N -1 0 342.173 3.984 20 0 EHADRM CCO[C@@H]1C[C@@H](NC(=O)c2ccc([O-])c(Cl)c2)C12CCCCC2 ZINC000436637970 1025967258 /nfs/dbraw/zinc/96/72/58/1025967258.db2.gz DAHMBNCDNQHJSB-HZPDHXFCSA-N -1 0 337.847 3.903 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2oc3c(c2C)C(=O)CCC3)c1 ZINC000436651628 1025976539 /nfs/dbraw/zinc/97/65/39/1025976539.db2.gz XGGFYLRZORNXDP-UHFFFAOYSA-N -1 0 341.363 3.658 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)Cc2ccc(OC(F)F)cc2)c1 ZINC000436651924 1025977271 /nfs/dbraw/zinc/97/72/71/1025977271.db2.gz IUOQKHRPKZFOFJ-UHFFFAOYSA-N -1 0 349.333 3.768 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ncccc2C(C)C)cc1Cl ZINC000443408310 1025985373 /nfs/dbraw/zinc/98/53/73/1025985373.db2.gz HDHFCJWIRZDXLA-UHFFFAOYSA-N -1 0 340.832 3.668 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2csc(CC(C)C)n2)c1 ZINC000436643992 1025992254 /nfs/dbraw/zinc/99/22/54/1025992254.db2.gz HAFLRGBEAHZALC-UHFFFAOYSA-N -1 0 332.425 3.892 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2nc(C(C)C)ncc2Cl)c1 ZINC000436646408 1025995961 /nfs/dbraw/zinc/99/59/61/1025995961.db2.gz OOSRGHVJNANYLX-UHFFFAOYSA-N -1 0 347.802 3.804 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)Oc2ccc(F)c(F)c2)c1 ZINC000436648670 1025998459 /nfs/dbraw/zinc/99/84/59/1025998459.db2.gz UNVIIODOTQDQLS-SNVBAGLBSA-N -1 0 349.333 3.669 20 0 EHADRM CC(C)c1cccnc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000443414497 1026003258 /nfs/dbraw/zinc/00/32/58/1026003258.db2.gz FZIMGVMEYDNIQD-UHFFFAOYSA-N -1 0 327.409 3.554 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H](c2ccncc2)C(C)C)c1 ZINC000436657329 1026018066 /nfs/dbraw/zinc/01/80/66/1026018066.db2.gz LFJIUJDZCALKFU-SFHVURJKSA-N -1 0 326.396 3.758 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)c1 ZINC000436676914 1026026613 /nfs/dbraw/zinc/02/66/13/1026026613.db2.gz AOPZLHIPWCTNOF-UWJYYQICSA-N -1 0 335.403 3.828 20 0 EHADRM C[C@H](NC(=O)c1cc(F)c([O-])c(F)c1)c1ccc2ncsc2c1 ZINC000436680199 1026033417 /nfs/dbraw/zinc/03/34/17/1026033417.db2.gz JEISCOHTVJINPN-QMMMGPOBSA-N -1 0 334.347 3.771 20 0 EHADRM COCc1n[n-]c(=N[C@@H](C)C(c2ccccc2)c2ccccc2)s1 ZINC000443432054 1026036053 /nfs/dbraw/zinc/03/60/53/1026036053.db2.gz SPPDOTYEFZDIBM-AWEZNQCLSA-N -1 0 339.464 3.739 20 0 EHADRM O=C([O-])[C@H](CC(=O)N[C@H](CC1CC1)c1ccccc1)c1ccccc1 ZINC000608340172 1026041087 /nfs/dbraw/zinc/04/10/87/1026041087.db2.gz GDOZJRQXLQCNEH-RTBURBONSA-N -1 0 337.419 3.903 20 0 EHADRM O=C([O-])c1cnc(-c2ccccc2)nc1/C=C/C=C\c1ccncc1 ZINC000443443875 1026044718 /nfs/dbraw/zinc/04/47/18/1026044718.db2.gz NSQFRINLXJCFDK-QUNSIMLLSA-N -1 0 329.359 3.963 20 0 EHADRM C[C@@H]1Oc2cc(F)ccc2[C@H]1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436739608 1026106329 /nfs/dbraw/zinc/10/63/29/1026106329.db2.gz OUMFXWGOHGFRBT-WJWGPLDTSA-N -1 0 339.725 3.576 20 0 EHADRM C[C@@H](NC(=O)c1cc(F)cc(Cl)c1[O-])c1ccc2n[nH]cc2c1 ZINC000436728616 1026116651 /nfs/dbraw/zinc/11/66/51/1026116651.db2.gz MONKEVBLCRUOHC-MRVPVSSYSA-N -1 0 333.750 3.552 20 0 EHADRM O=S(=O)(NC[C@@H]1CCCCC1(F)F)c1cc2cc(F)ccc2o1 ZINC000451641906 1026197684 /nfs/dbraw/zinc/19/76/84/1026197684.db2.gz WGQOOHJJZBFYRJ-NSHDSACASA-N -1 0 347.358 3.676 20 0 EHADRM O=C([O-])C1CCC(C(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000262718407 1026228291 /nfs/dbraw/zinc/22/82/91/1026228291.db2.gz ONJKPYPEWRYRJV-HIEASXQVSA-N -1 0 329.440 3.720 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(Oc2cccc(F)c2)cc1)C(=O)[O-] ZINC000582439250 1026260253 /nfs/dbraw/zinc/26/02/53/1026260253.db2.gz BVJUFVIXPNGNLZ-OAHLLOKOSA-N -1 0 332.331 3.603 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1sccc1-n1cccc1 ZINC000192837193 1026374297 /nfs/dbraw/zinc/37/42/97/1026374297.db2.gz GMZCRBMWTUOMIC-UHFFFAOYSA-N -1 0 326.377 3.798 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cnn(C3CCCC3)c2C)s1 ZINC000277644553 1026414606 /nfs/dbraw/zinc/41/46/06/1026414606.db2.gz QEETUOYEKZLYJC-UHFFFAOYSA-N -1 0 339.486 3.731 20 0 EHADRM COC(=O)c1cc(Nc2cc(C)cc(C(=O)[O-])c2)c(OC)cc1Cl ZINC001211547069 1026440607 /nfs/dbraw/zinc/44/06/07/1026440607.db2.gz CXUBGOBMCFLSRF-UHFFFAOYSA-N -1 0 349.770 3.885 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000531003426 1026464194 /nfs/dbraw/zinc/46/41/94/1026464194.db2.gz OOHUGLNMXDZYEY-UONOGXRCSA-N -1 0 349.356 3.873 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CC[C@@H]1Cc1ccccc1 ZINC000563381934 1026495102 /nfs/dbraw/zinc/49/51/02/1026495102.db2.gz WPFVIIWTHINMRV-CYBMUJFWSA-N -1 0 335.325 3.868 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000582536352 1026512290 /nfs/dbraw/zinc/51/22/90/1026512290.db2.gz XNSNFYYBRKYIKF-SNVBAGLBSA-N -1 0 342.848 3.781 20 0 EHADRM Cc1sc(N[C@@H]2c3ccccc3CC23CCOCC3)nc1C(=O)[O-] ZINC000582549371 1026542382 /nfs/dbraw/zinc/54/23/82/1026542382.db2.gz XTOLIGMDCVVOAZ-OAHLLOKOSA-N -1 0 344.436 3.656 20 0 EHADRM CC(C)c1ccc(C(=O)NC[C@@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000192881281 1026574958 /nfs/dbraw/zinc/57/49/58/1026574958.db2.gz PKWKNSHIJOWIFG-CQSZACIVSA-N -1 0 331.437 3.545 20 0 EHADRM CCC[C@H]([N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)C(C)(C)C ZINC001211897330 1026606982 /nfs/dbraw/zinc/60/69/82/1026606982.db2.gz QNPMSFYPHLQZHE-JTQLQIEISA-N -1 0 341.370 3.736 20 0 EHADRM COC(=O)CCc1ccc(Nc2cc(C)cc(C(=O)[O-])c2)cc1F ZINC001211550212 1026712444 /nfs/dbraw/zinc/71/24/44/1026712444.db2.gz WFAYGOKYERZEEV-UHFFFAOYSA-N -1 0 331.343 3.682 20 0 EHADRM C[C@@H]([N-]c1nc(-c2cccc(Cl)c2)no1)C(=O)Nc1ccccc1 ZINC000301232730 1026731393 /nfs/dbraw/zinc/73/13/93/1026731393.db2.gz KDELUMGVAWPIBZ-LLVKDONJSA-N -1 0 342.786 3.829 20 0 EHADRM O=C(c1c([O-])cc(F)cc1F)N(Cc1ccco1)Cc1ccco1 ZINC000125572073 1026902810 /nfs/dbraw/zinc/90/28/10/1026902810.db2.gz GWHVFEJLQUERRN-UHFFFAOYSA-N -1 0 333.290 3.699 20 0 EHADRM CCCOCCOc1cccc(-c2ccc3c(c2)[C@@H](C(=O)[O-])CO3)c1 ZINC000563435867 1026942389 /nfs/dbraw/zinc/94/23/89/1026942389.db2.gz CTHFVECJJWUDKW-SFHVURJKSA-N -1 0 342.391 3.720 20 0 EHADRM CC(C)Cc1nc(=N[C@H](C)c2ccccc2OC(F)F)s[n-]1 ZINC000475452599 1026995704 /nfs/dbraw/zinc/99/57/04/1026995704.db2.gz NTVOVSRKJLFNPP-SNVBAGLBSA-N -1 0 327.400 3.933 20 0 EHADRM O=C(Cc1ccc(OC(F)F)cc1)Nc1cc(Cl)c([O-])cc1F ZINC000582717534 1027034700 /nfs/dbraw/zinc/03/47/00/1027034700.db2.gz XULHNPOSCWTOIY-UHFFFAOYSA-N -1 0 345.704 3.967 20 0 EHADRM C[C@@H](Cc1n[n-]c(=NCc2cc3cccnc3o2)o1)CC(C)(C)C ZINC000453048960 1027262548 /nfs/dbraw/zinc/26/25/48/1027262548.db2.gz XGPOANBBYOLDTG-LBPRGKRZSA-N -1 0 328.416 3.860 20 0 EHADRM CC(C)[C@@H](Sc1ccccc1)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000414442412 1027357354 /nfs/dbraw/zinc/35/73/54/1027357354.db2.gz QCIALDBREQVFPS-CRAIPNDOSA-N -1 0 335.469 3.517 20 0 EHADRM O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc([O-])c(Cl)c1 ZINC000273417168 1027420348 /nfs/dbraw/zinc/42/03/48/1027420348.db2.gz RCLVMFLFKAWMAS-WMLDXEAASA-N -1 0 349.789 3.835 20 0 EHADRM CC(C)(C)Oc1c(F)cc(NC(=O)[C@H]2CCC[C@@H]2C(=O)[O-])cc1F ZINC000634828969 1027521256 /nfs/dbraw/zinc/52/12/56/1027521256.db2.gz JVPYRMMSWORFAG-QWRGUYRKSA-N -1 0 341.354 3.582 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(OCC)cc1C ZINC000501800207 1027546793 /nfs/dbraw/zinc/54/67/93/1027546793.db2.gz QOBIJHWCMJEZPC-UHFFFAOYSA-N -1 0 349.452 3.983 20 0 EHADRM S=c1[n-]c2ccc(Nc3cnc(N4CCCC4)nc3)cc2s1 ZINC001211933795 1027570046 /nfs/dbraw/zinc/57/00/46/1027570046.db2.gz JWMMBWSTBYQZMZ-UHFFFAOYSA-N -1 0 329.454 3.719 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccn2)cc1 ZINC000502423323 1027635685 /nfs/dbraw/zinc/63/56/85/1027635685.db2.gz FJWSPUTYRUBQEL-UHFFFAOYSA-N -1 0 344.358 3.854 20 0 EHADRM c1ccc([C@@H](N=c2nc(C3CCCC3)[n-]s2)[C@H]2CCOC2)cc1 ZINC000420609717 1027643101 /nfs/dbraw/zinc/64/31/01/1027643101.db2.gz KUWLFKXCNRHIKU-JKSUJKDBSA-N -1 0 329.469 3.807 20 0 EHADRM C[C@H]1CCc2nc(CNc3cccc(CCC(=O)[O-])c3)sc2C1 ZINC000414660775 1027743622 /nfs/dbraw/zinc/74/36/22/1027743622.db2.gz PUASNGLQUXDKJO-LBPRGKRZSA-N -1 0 330.453 3.897 20 0 EHADRM Cc1ccc(S[C@H](C)C(=O)NCc2ccc(C(=O)[O-])s2)cc1 ZINC000422565773 1027792446 /nfs/dbraw/zinc/79/24/46/1027792446.db2.gz NNDLXGMXQYIKKG-LLVKDONJSA-N -1 0 335.450 3.552 20 0 EHADRM CC(C)Cn1cc(C(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)c2ccccc21 ZINC000422581699 1027806072 /nfs/dbraw/zinc/80/60/72/1027806072.db2.gz RBEGNEKWCDJXOZ-GJZGRUSLSA-N -1 0 342.439 3.623 20 0 EHADRM CCOc1cccc2cc([C@H](C)NC(=O)CC3(C(=O)[O-])CCC3)oc21 ZINC000262544958 1027865882 /nfs/dbraw/zinc/86/58/82/1027865882.db2.gz RTPHFRGFVFGSBP-LBPRGKRZSA-N -1 0 345.395 3.654 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N(CC(C)C)C2CCCC2)s1 ZINC000444497626 1027997828 /nfs/dbraw/zinc/99/78/28/1027997828.db2.gz UZFWVQGCTNCVCG-UHFFFAOYSA-N -1 0 328.507 3.505 20 0 EHADRM O=S(=O)([N-]c1ccc(C2CCC2)cn1)c1cc(F)ccc1Cl ZINC000582886450 1028130995 /nfs/dbraw/zinc/13/09/95/1028130995.db2.gz MQDWSMGLOPCKJH-UHFFFAOYSA-N -1 0 340.807 3.942 20 0 EHADRM CC(F)(F)c1cccc([N-]S(=O)(=O)c2cccc3c2OCC3)c1 ZINC000421147270 1028148623 /nfs/dbraw/zinc/14/86/23/1028148623.db2.gz FSIXVGVVVJBROJ-UHFFFAOYSA-N -1 0 339.363 3.534 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2cc(=O)n(-c3ccccc3)[nH]2)c1 ZINC001211960507 1028190361 /nfs/dbraw/zinc/19/03/61/1028190361.db2.gz DCCVQKYAJCCNTE-UHFFFAOYSA-N -1 0 329.743 3.673 20 0 EHADRM CCCOc1cc(C)ccc1NS(=O)(=O)CCc1ccccc1 ZINC000614852366 1028206532 /nfs/dbraw/zinc/20/65/32/1028206532.db2.gz MIRMGRDMEYRKIS-UHFFFAOYSA-N -1 0 333.453 3.768 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccnn2-c2cccc(Cl)c2)cc1 ZINC000503916906 1028228903 /nfs/dbraw/zinc/22/89/03/1028228903.db2.gz RLXKNVGJFXYPDK-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1c(C)cccc1C(C)C ZINC000091053084 1028246366 /nfs/dbraw/zinc/24/63/66/1028246366.db2.gz LQDPMNHQJUOKMV-UHFFFAOYSA-N -1 0 349.500 3.778 20 0 EHADRM CCOc1cc([N-]S(=O)(=O)c2ccc(Cl)s2)ccc1OC ZINC000055631817 1028282884 /nfs/dbraw/zinc/28/28/84/1028282884.db2.gz RHFNCALTBZKQOF-UHFFFAOYSA-N -1 0 347.845 3.610 20 0 EHADRM COC(=O)c1c(F)ccc(F)c1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211966591 1028286916 /nfs/dbraw/zinc/28/69/16/1028286916.db2.gz GVGRZOMTPNOTQQ-UHFFFAOYSA-N -1 0 341.697 3.847 20 0 EHADRM COc1ccc2c(c1Nc1cc(Cl)cc(C(=O)[O-])c1)C(=O)CC2 ZINC001211966627 1028304615 /nfs/dbraw/zinc/30/46/15/1028304615.db2.gz INZAKXWVEDMTCI-UHFFFAOYSA-N -1 0 331.755 3.919 20 0 EHADRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2nnc(C(C)C)o2)c(C)c1C ZINC000153617725 1028369651 /nfs/dbraw/zinc/36/96/51/1028369651.db2.gz UZRAKVYEGIFSGS-UHFFFAOYSA-N -1 0 337.445 3.536 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)N=c2[n-]nc(-c3ccsc3)s2)[C@@H](C)C1 ZINC000502587961 1028382570 /nfs/dbraw/zinc/38/25/70/1028382570.db2.gz WDYNMJCONPECNA-SCVCMEIPSA-N -1 0 336.486 3.635 20 0 EHADRM C[C@@](CC(=O)NCc1ccc(Cl)cc1F)(C(=O)[O-])c1ccccc1 ZINC000487508312 1028432545 /nfs/dbraw/zinc/43/25/45/1028432545.db2.gz YDSKRYJHNYGPSZ-SFHVURJKSA-N -1 0 349.789 3.528 20 0 EHADRM C[C@@H]1C[C@H](CC(F)(F)F)[C@H](C)N1C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000630322411 1028434849 /nfs/dbraw/zinc/43/48/49/1028434849.db2.gz RYVNYXOUJRTIEL-XPXVYLNCSA-N -1 0 349.393 3.845 20 0 EHADRM CNc1ccc(Cl)c(C(=O)N=c2[nH][n-]c(-c3ccc(C)o3)c2C)c1 ZINC000342970196 1028453795 /nfs/dbraw/zinc/45/37/95/1028453795.db2.gz IRSBJOQHEGCCOS-UHFFFAOYSA-N -1 0 344.802 3.656 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1csc(-c2ccccc2)n1 ZINC000237944682 1028487594 /nfs/dbraw/zinc/48/75/94/1028487594.db2.gz KXZRYUDNPOAYNM-AWEZNQCLSA-N -1 0 344.436 3.670 20 0 EHADRM COc1cc(/C=C\c2cc(C=O)c(C)s2)ccc1OCC(=O)[O-] ZINC000760266342 1028535912 /nfs/dbraw/zinc/53/59/12/1028535912.db2.gz SYBUSBTXEFMYCV-HYXAFXHYSA-N -1 0 332.377 3.511 20 0 EHADRM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000523731133 1028574544 /nfs/dbraw/zinc/57/45/44/1028574544.db2.gz YIUDKKUEIQKATP-UHFFFAOYSA-N -1 0 341.379 3.861 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)[C@H](C)Sc1ccc(Cl)cc1 ZINC000236732593 1028578427 /nfs/dbraw/zinc/57/84/27/1028578427.db2.gz AURRSRYJMIIQCD-LBPRGKRZSA-N -1 0 343.876 3.780 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N2C[C@@H](c3ccccc3)C[C@H]2C)s1 ZINC000523786619 1028620381 /nfs/dbraw/zinc/62/03/81/1028620381.db2.gz CUWNHNYSTKXWJP-HIFRSBDPSA-N -1 0 344.484 3.568 20 0 EHADRM Cc1ccc(NC(=O)CCCOc2cccc(F)c2)cc1C(=O)[O-] ZINC000237601671 1028656494 /nfs/dbraw/zinc/65/64/94/1028656494.db2.gz KSTGTCHKIZEPCE-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000523845729 1028671190 /nfs/dbraw/zinc/67/11/90/1028671190.db2.gz FAECFTREDBAUHM-ROUUACIJSA-N -1 0 329.403 3.671 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)N2CCC[C@@H](C(C)(C)C)CC2)s[n-]1 ZINC000523930753 1028723131 /nfs/dbraw/zinc/72/31/31/1028723131.db2.gz YLDFZKDJKIQDMK-GFCCVEGCSA-N -1 0 338.521 3.938 20 0 EHADRM O=C([O-])CC1(CC(=O)N[C@H](CC(F)F)c2ccccc2)CCCC1 ZINC000421802511 1028791080 /nfs/dbraw/zinc/79/10/80/1028791080.db2.gz GWMVDRNKKVRTMH-CQSZACIVSA-N -1 0 339.382 3.924 20 0 EHADRM CCCN=c1[n-]nc(S[C@@H](C(=O)C2CC2)c2ccccc2)s1 ZINC000424086666 1028793265 /nfs/dbraw/zinc/79/32/65/1028793265.db2.gz GXFNQLOPHGATPM-CQSZACIVSA-N -1 0 333.482 3.594 20 0 EHADRM CCc1nnc([N-]C(=O)c2cc(-c3ccc(Cl)s3)on2)s1 ZINC000075903369 1028822042 /nfs/dbraw/zinc/82/20/42/1028822042.db2.gz RKAHQLQPNPKHTP-UHFFFAOYSA-N -1 0 340.817 3.723 20 0 EHADRM COc1ccc(NC(=O)[C@@](C)(CC(=O)[O-])CC(C)C)cc1SC ZINC000634841677 1028853785 /nfs/dbraw/zinc/85/37/85/1028853785.db2.gz UFCYWDUTUQZQMX-QGZVFWFLSA-N -1 0 339.457 3.883 20 0 EHADRM C[C@@H](CCNC(=O)N=c1ncn(C2CCCCC2)[n-]1)c1ccccc1 ZINC000583112328 1028856314 /nfs/dbraw/zinc/85/63/14/1028856314.db2.gz OHCFHMYNSCYZIS-HNNXBMFYSA-N -1 0 341.459 3.521 20 0 EHADRM CC(C)CCN(C(=O)N=c1nc2cc(Cl)ccn2[n-]1)C1CCCC1 ZINC000583113322 1028861653 /nfs/dbraw/zinc/86/16/53/1028861653.db2.gz CFKGTUHZXDXOJD-UHFFFAOYSA-N -1 0 349.866 3.627 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000424254794 1028913432 /nfs/dbraw/zinc/91/34/32/1028913432.db2.gz TWEZWXKKMSPYFQ-WMZOPIPTSA-N -1 0 331.456 3.810 20 0 EHADRM COc1ccc2sc(C(=O)N3CCC[C@H](C)[C@@H]3C(=O)[O-])c(C)c2c1 ZINC000424256138 1028913800 /nfs/dbraw/zinc/91/38/00/1028913800.db2.gz MFYOYPOTLSQBJP-ZUZCIYMTSA-N -1 0 347.436 3.544 20 0 EHADRM Cc1ccc(Nc2nc(CN3CCC[C@H](C)[C@H]3C(=O)[O-])cs2)cc1 ZINC000424265759 1028923825 /nfs/dbraw/zinc/92/38/25/1028923825.db2.gz IIOFMKWNKZSGOK-BBRMVZONSA-N -1 0 345.468 3.880 20 0 EHADRM CC[C@H](CC(=O)N=c1nc(C(C)(C)C)[n-]s1)c1ccc(OC)cc1 ZINC000502978875 1028938640 /nfs/dbraw/zinc/93/86/40/1028938640.db2.gz BZTDUBMFULTOAK-GFCCVEGCSA-N -1 0 347.484 3.789 20 0 EHADRM Cc1nc2sccn2c1-c1noc(-c2ccc([O-])c(Cl)c2)n1 ZINC000445623582 1029001110 /nfs/dbraw/zinc/00/11/10/1029001110.db2.gz KWJNEMXZFXIYGD-UHFFFAOYSA-N -1 0 332.772 3.780 20 0 EHADRM CC(C)(CCNC(=O)N1CCC(CCc2ccccc2)CC1)C(=O)[O-] ZINC000424393798 1029027334 /nfs/dbraw/zinc/02/73/34/1029027334.db2.gz BMPQNZSDARJLTP-UHFFFAOYSA-N -1 0 346.471 3.542 20 0 EHADRM Cc1ccc(-c2ncc(C[N@H+]3CCC[C@@H](C)[C@@H]3C(=O)[O-])s2)cc1 ZINC000424424743 1029046853 /nfs/dbraw/zinc/04/68/53/1029046853.db2.gz XAZWELWDJLTNDV-CZUORRHYSA-N -1 0 330.453 3.804 20 0 EHADRM CCC(CC)(CNC(=O)N1CC2(CCC2)c2ccccc21)C(=O)[O-] ZINC000424423135 1029048926 /nfs/dbraw/zinc/04/89/26/1029048926.db2.gz HEIVNPGNVZJPCA-UHFFFAOYSA-N -1 0 330.428 3.529 20 0 EHADRM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000445697598 1029062332 /nfs/dbraw/zinc/06/23/32/1029062332.db2.gz RFZIMYMEVNYMQA-SNVBAGLBSA-N -1 0 347.761 3.734 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)C[C@@H](C)c2ccccc2)sc1C(=O)[O-] ZINC000237393720 1029126974 /nfs/dbraw/zinc/12/69/74/1029126974.db2.gz FYGHDJNHZLYBNZ-ZYHUDNBSSA-N -1 0 332.425 3.521 20 0 EHADRM O=C(N=c1nc(-c2ccccc2Cl)[n-]s1)[C@H]1CCC[C@@H](F)C1 ZINC000424661195 1029223023 /nfs/dbraw/zinc/22/30/23/1029223023.db2.gz HXTBTNZLXZDECM-VHSXEESVSA-N -1 0 339.823 3.747 20 0 EHADRM O=C(N=c1nc(-c2ccccc2Cl)[n-]s1)[C@@H]1CCC[C@H](F)C1 ZINC000424661197 1029224352 /nfs/dbraw/zinc/22/43/52/1029224352.db2.gz HXTBTNZLXZDECM-ZJUUUORDSA-N -1 0 339.823 3.747 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)c1sccc1OC(F)F ZINC000271939185 1029237762 /nfs/dbraw/zinc/23/77/62/1029237762.db2.gz FARUBDHOVAAOQG-UHFFFAOYSA-N -1 0 335.372 3.505 20 0 EHADRM CCc1csc([C@@H]2CCCN(C(=O)c3c([O-])cccc3F)C2)n1 ZINC000124493069 1029242009 /nfs/dbraw/zinc/24/20/09/1029242009.db2.gz ZBYSKOLZKNENMU-LLVKDONJSA-N -1 0 334.416 3.570 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H]1C(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000634876216 1029268550 /nfs/dbraw/zinc/26/85/50/1029268550.db2.gz IYDUUBOXLKMFMM-IAGOWNOFSA-N -1 0 330.428 3.871 20 0 EHADRM O=C(Nc1cccnc1N1CCCCC1)c1cc(F)c([O-])c(Cl)c1 ZINC000446025218 1029320551 /nfs/dbraw/zinc/32/05/51/1029320551.db2.gz BPARCWVWBBBNQM-UHFFFAOYSA-N -1 0 349.793 3.822 20 0 EHADRM C/C(=C\c1cccc(Cl)c1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000191203776 1029404967 /nfs/dbraw/zinc/40/49/67/1029404967.db2.gz DGTGIGFQJUBBOL-UELRPHRMSA-N -1 0 335.831 3.847 20 0 EHADRM CCC(=O)N=c1nc(-c2cccc(Oc3ccccc3)c2)[n-]s1 ZINC000505256960 1029414176 /nfs/dbraw/zinc/41/41/76/1029414176.db2.gz GBNPOBKJNMIZBG-UHFFFAOYSA-N -1 0 325.393 3.768 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H]1C(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000634896980 1029476944 /nfs/dbraw/zinc/47/69/44/1029476944.db2.gz WUUNMVPCLJHRQS-QWRGUYRKSA-N -1 0 342.222 3.600 20 0 EHADRM CCc1oc(C(=O)N(Cc2ccc(C)s2)C(C)C)cc1C(=O)[O-] ZINC000261710353 1029487097 /nfs/dbraw/zinc/48/70/97/1029487097.db2.gz VCMLZZPAUXLDPK-UHFFFAOYSA-N -1 0 335.425 3.961 20 0 EHADRM O=C(Nc1ccc(OCC2CCOCC2)cc1)c1c([O-])cccc1F ZINC000125470529 1029526058 /nfs/dbraw/zinc/52/60/58/1029526058.db2.gz ZYCBYWGXZIJRBN-UHFFFAOYSA-N -1 0 345.370 3.589 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)c2ccc(SC(C)C)cc2)s1 ZINC000513841352 1029535328 /nfs/dbraw/zinc/53/53/28/1029535328.db2.gz PNNPZTLDWZOKEP-UHFFFAOYSA-N -1 0 335.498 3.911 20 0 EHADRM CC1(C)CCCCN(C(=O)N=c2[n-]nc(/C=C/c3ccco3)s2)C1 ZINC000446330695 1029582611 /nfs/dbraw/zinc/58/26/11/1029582611.db2.gz KFOAYTRESXUAIV-BQYQJAHWSA-N -1 0 346.456 3.767 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000262404041 1029588629 /nfs/dbraw/zinc/58/86/29/1029588629.db2.gz HXIRZJZAGFYFEC-LLVKDONJSA-N -1 0 341.860 3.534 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCCC[C@H]2c2ccco2)c(F)c1 ZINC000262385755 1029592456 /nfs/dbraw/zinc/59/24/56/1029592456.db2.gz MAJUHEHARRHRRB-HNNXBMFYSA-N -1 0 331.343 3.874 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000533307786 1029610718 /nfs/dbraw/zinc/61/07/18/1029610718.db2.gz YNKXPJUQQAPBOP-LBPRGKRZSA-N -1 0 344.846 3.524 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cc(C3CC3)n(CC)n2)cc1CC ZINC000535991498 1029613561 /nfs/dbraw/zinc/61/35/61/1029613561.db2.gz FKAUSDXOKVMDIX-UHFFFAOYSA-N -1 0 347.484 3.706 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)C2CCC(F)(F)CC2)c1 ZINC000262768106 1029631413 /nfs/dbraw/zinc/63/14/13/1029631413.db2.gz LWTNLWNIWBONEO-UHFFFAOYSA-N -1 0 343.395 3.768 20 0 EHADRM CC(C)C[C@@](C)(CC(=O)[O-])C(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000634916806 1029637832 /nfs/dbraw/zinc/63/78/32/1029637832.db2.gz GGNDZTXRZJKCOC-IBGZPJMESA-N -1 0 329.440 3.588 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NCCCCc2ccc(Cl)s2)C1 ZINC000262816706 1029640074 /nfs/dbraw/zinc/64/00/74/1029640074.db2.gz DSRFGCBBXWOHKK-VXGBXAGGSA-N -1 0 343.876 3.731 20 0 EHADRM CC[C@@H](C(=O)N1CCc2ccc(C(=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000262867229 1029645848 /nfs/dbraw/zinc/64/58/48/1029645848.db2.gz FBIMOPQFHVEOQR-GOSISDBHSA-N -1 0 341.382 3.602 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)c2ccc3c(c2)CCC3)s[n-]1 ZINC000472285329 1029648780 /nfs/dbraw/zinc/64/87/80/1029648780.db2.gz DPXNFYSAKATHLR-UHFFFAOYSA-N -1 0 341.461 3.738 20 0 EHADRM CC(C)(C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC000262944906 1029651870 /nfs/dbraw/zinc/65/18/70/1029651870.db2.gz CREXZOGWZVXEAM-SFHVURJKSA-N -1 0 339.435 3.557 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000262925824 1029652057 /nfs/dbraw/zinc/65/20/57/1029652057.db2.gz JFZBJXPWVPJBLT-WMZOPIPTSA-N -1 0 331.456 3.891 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccc2ccc(Cl)cc2n1 ZINC000262992114 1029653890 /nfs/dbraw/zinc/65/38/90/1029653890.db2.gz SQVNSCRZPZBUFJ-CQSZACIVSA-N -1 0 346.814 3.748 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)Nc2cccc(C(F)F)c2Cl)C1 ZINC000263031953 1029659356 /nfs/dbraw/zinc/65/93/56/1029659356.db2.gz KQCFELNCFPSHHL-QMMMGPOBSA-N -1 0 332.734 3.606 20 0 EHADRM CCOc1c(Cl)cc(NC(=O)N(C)C[C@H](C)C(=O)[O-])cc1Cl ZINC000263069356 1029663000 /nfs/dbraw/zinc/66/30/00/1029663000.db2.gz PTKKKMXZROUBDI-QMMMGPOBSA-N -1 0 349.214 3.577 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N3C[C@@H](C(=O)[O-])CC[C@@H]3C)o2)cc1 ZINC000263143109 1029669098 /nfs/dbraw/zinc/66/90/98/1029669098.db2.gz GXHXEYRQFZWEAH-BBRMVZONSA-N -1 0 341.407 3.834 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000263176887 1029671733 /nfs/dbraw/zinc/67/17/33/1029671733.db2.gz GUFWFAKDQQIOFU-SUMWQHHRSA-N -1 0 333.428 3.941 20 0 EHADRM CCCCOc1ccc(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)c(C)c1 ZINC000263199052 1029672735 /nfs/dbraw/zinc/67/27/35/1029672735.db2.gz WYOKQKUPXGKQBO-DZGCQCFKSA-N -1 0 348.443 3.748 20 0 EHADRM CCSCc1ccc(NC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cc1 ZINC000263199541 1029673249 /nfs/dbraw/zinc/67/32/49/1029673249.db2.gz WZMJPAYCGBJNAK-KBXCAEBGSA-N -1 0 348.468 3.658 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC000263344575 1029690301 /nfs/dbraw/zinc/69/03/01/1029690301.db2.gz SWHFEPRPVVQITM-YCPHGPKFSA-N -1 0 335.419 3.920 20 0 EHADRM C[C@H](CC(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-])Cc1cccc(F)c1 ZINC000263407621 1029695133 /nfs/dbraw/zinc/69/51/33/1029695133.db2.gz GKPHRBCQLTYWOT-XKQJLSEDSA-N -1 0 335.419 3.544 20 0 EHADRM Cc1c(C(=O)N2CCCC[C@H]2CCC(=O)[O-])sc2nccc(C)c12 ZINC000263477644 1029702633 /nfs/dbraw/zinc/70/26/33/1029702633.db2.gz ZQDDZRPKPSHAEA-ZDUSSCGKSA-N -1 0 346.452 3.773 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000347385241 1029720354 /nfs/dbraw/zinc/72/03/54/1029720354.db2.gz YTGLKSDKVJGPKP-INIZCTEOSA-N -1 0 341.407 3.659 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@H](C)COc2ccc(C(C)(C)C)cc2)s[n-]1 ZINC000509686977 1029766100 /nfs/dbraw/zinc/76/61/00/1029766100.db2.gz VQHFSTCICDGOQH-OLZOCXBDSA-N -1 0 349.500 3.844 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(C)c(Cl)c2)nnc1C ZINC000446828774 1029811507 /nfs/dbraw/zinc/81/15/07/1029811507.db2.gz YYQSQKMMEPVGMU-UHFFFAOYSA-N -1 0 346.239 3.509 20 0 EHADRM Fc1cccc(Oc2ccc(CN=c3[n-]nc(C4CC4)o3)cc2)c1 ZINC000446956704 1029864580 /nfs/dbraw/zinc/86/45/80/1029864580.db2.gz IIBYQCSVTLFTIA-UHFFFAOYSA-N -1 0 325.343 3.912 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccnn2[C@H](C)CC(C)C)c1 ZINC000555951891 1029969118 /nfs/dbraw/zinc/96/91/18/1029969118.db2.gz HCQSXTKCRPZBLX-OAHLLOKOSA-N -1 0 335.473 3.908 20 0 EHADRM Cc1cc(=NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)[n-]nc1C ZINC000525661773 1030005374 /nfs/dbraw/zinc/00/53/74/1030005374.db2.gz CLXPBAPSYQIKSJ-KGLIPLIRSA-N -1 0 336.222 3.564 20 0 EHADRM CC(C)c1n[n-]c(=NCc2cc(F)c(F)cc2Br)s1 ZINC000583517156 1030013196 /nfs/dbraw/zinc/01/31/96/1030013196.db2.gz FOSDWEWBZKLEHY-UHFFFAOYSA-N -1 0 348.216 3.736 20 0 EHADRM Brc1csc(CN=c2[n-]nc(-c3ccccc3)o2)c1 ZINC000508591466 1030042629 /nfs/dbraw/zinc/04/26/29/1030042629.db2.gz XKFJMUKETLQFGF-UHFFFAOYSA-N -1 0 336.214 3.595 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N(C)[C@H](C)C3CCC3)s2)c1 ZINC000481977621 1030143909 /nfs/dbraw/zinc/14/39/09/1030143909.db2.gz FOTRPPYYDNFLOJ-CYBMUJFWSA-N -1 0 344.484 3.896 20 0 EHADRM Cc1cc(C(=O)N=c2[n-]nc(-c3ccccc3)s2)cc(C)c1F ZINC000482001678 1030156164 /nfs/dbraw/zinc/15/61/64/1030156164.db2.gz YLIRMBAAQRDTKS-UHFFFAOYSA-N -1 0 327.384 3.635 20 0 EHADRM CC[C@@H]1CCCN(C(=O)c2cc(Br)c(F)cc2[O-])C1 ZINC000448702909 1030225513 /nfs/dbraw/zinc/22/55/13/1030225513.db2.gz WJRWFAIHLWBYHF-SECBINFHSA-N -1 0 330.197 3.556 20 0 EHADRM CC[C@H]1CCCN(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])CC1 ZINC000447510403 1030257249 /nfs/dbraw/zinc/25/72/49/1030257249.db2.gz YTKWLXVLWCZFJL-ZDUSSCGKSA-N -1 0 347.846 3.884 20 0 EHADRM CC(C)Oc1cccc(CN(C)C(=O)c2c([O-])cc(F)cc2F)c1 ZINC000152384297 1030272313 /nfs/dbraw/zinc/27/23/13/1030272313.db2.gz IYJYRGXFANTWCO-UHFFFAOYSA-N -1 0 335.350 3.730 20 0 EHADRM Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1cccc(C)c1Cl ZINC000126917536 1030272435 /nfs/dbraw/zinc/27/24/35/1030272435.db2.gz SJWSQYJNZXHEMV-UHFFFAOYSA-N -1 0 326.805 3.623 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc3ccncc32)c(F)cc1F ZINC000532037682 1030301428 /nfs/dbraw/zinc/30/14/28/1030301428.db2.gz AMPCPQCICGKODR-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cc3ccccc3o2)n[nH]1 ZINC000532113934 1030384725 /nfs/dbraw/zinc/38/47/25/1030384725.db2.gz SWTVWHDJGXXUDD-LLVKDONJSA-N -1 0 333.413 3.860 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2cc(C)oc2C)ccc1C(F)(F)F ZINC000447778875 1030476584 /nfs/dbraw/zinc/47/65/84/1030476584.db2.gz RHMYRGYYSWQQBD-UHFFFAOYSA-N -1 0 349.330 3.725 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)ccc1F)c1c(F)cc(F)cc1F ZINC000060441709 1030555210 /nfs/dbraw/zinc/55/52/10/1030555210.db2.gz FBJBPBBHLFTOLV-UHFFFAOYSA-N -1 0 339.697 3.697 20 0 EHADRM Cc1cc(=O)[nH]c([C@@H](C)N2CCC(c3c(F)cccc3F)CC2)n1 ZINC000447883273 1030561486 /nfs/dbraw/zinc/56/14/86/1030561486.db2.gz SAFCINKGINGCJC-GFCCVEGCSA-N -1 0 333.382 3.709 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)CC2CC(c3ccccc3)C2)Cc2ccccc21 ZINC000262746460 1030629386 /nfs/dbraw/zinc/62/93/86/1030629386.db2.gz BCHUSAMVLXRWID-UPQHMETBSA-N -1 0 349.430 3.781 20 0 EHADRM CCCc1c(C(=O)[O-])nnn1Cc1cccc(-c2cocc2C)c1 ZINC000583763677 1030670192 /nfs/dbraw/zinc/67/01/92/1030670192.db2.gz HSWVUXGUJYKERI-UHFFFAOYSA-N -1 0 325.368 3.546 20 0 EHADRM CCOc1ccccc1OCC(=O)Nc1cc(Cl)c([O-])cc1F ZINC000170197399 1030684670 /nfs/dbraw/zinc/68/46/70/1030684670.db2.gz ORBLCOSFLRQTSD-UHFFFAOYSA-N -1 0 339.750 3.601 20 0 EHADRM CCc1ccc(O)c(C(=O)Nc2ccc(C)c(C(=O)NC(C)C)c2)c1 ZINC000537642877 1030737671 /nfs/dbraw/zinc/73/76/71/1030737671.db2.gz CNZUJLGYRCQDBH-UHFFFAOYSA-N -1 0 340.423 3.654 20 0 EHADRM O=C(c1nn(-c2cccc(Cl)c2)cc1[O-])N1CCC[C@H]1C1CCC1 ZINC000668139182 1030757873 /nfs/dbraw/zinc/75/78/73/1030757873.db2.gz XHTOVRBPJSFKGX-HNNXBMFYSA-N -1 0 345.830 3.636 20 0 EHADRM CC[C@H](NC(=O)N=c1nc(SC)[n-]s1)c1ccc(Cl)s1 ZINC000476644814 1030763385 /nfs/dbraw/zinc/76/33/85/1030763385.db2.gz RRCSJLKTQGQKJR-LURJTMIESA-N -1 0 348.906 3.670 20 0 EHADRM CC(C)(C)c1ccccc1C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000527288969 1030773119 /nfs/dbraw/zinc/77/31/19/1030773119.db2.gz AZWJARZESWBDAX-UHFFFAOYSA-N -1 0 337.379 3.580 20 0 EHADRM Fc1cccc(CN=c2[n-]nc(-c3cccc(OC(F)F)c3)o2)c1 ZINC000550960433 1030838374 /nfs/dbraw/zinc/83/83/74/1030838374.db2.gz APXAEWPQMRVFJP-UHFFFAOYSA-N -1 0 335.285 3.511 20 0 EHADRM Cc1ccc2c(c1)CC[C@H](C(=O)Nc1cc(F)cc(Cl)c1[O-])O2 ZINC000476723041 1030842864 /nfs/dbraw/zinc/84/28/64/1030842864.db2.gz IKVLUXKAMZPCOK-OAHLLOKOSA-N -1 0 335.762 3.825 20 0 EHADRM O=S(=O)(Cc1cc(Cl)ccc1F)[N-]c1nc(C2CC2)cs1 ZINC000194555021 1030855970 /nfs/dbraw/zinc/85/59/70/1030855970.db2.gz WDRMMFQWFXDYCN-UHFFFAOYSA-N -1 0 346.836 3.755 20 0 EHADRM COc1cccc(CCCNC(=O)c2cc(F)c([O-])c(Cl)c2)c1 ZINC000194560580 1030872972 /nfs/dbraw/zinc/87/29/72/1030872972.db2.gz NUKWIYDNKHBMRV-UHFFFAOYSA-N -1 0 337.778 3.556 20 0 EHADRM CCOCc1cccc([N-]S(=O)(=O)c2cccc3c2N=S=N3)c1 ZINC000102320645 1030891359 /nfs/dbraw/zinc/89/13/59/1030891359.db2.gz ZMIBQJZBBNBQSU-UHFFFAOYSA-N -1 0 349.437 3.750 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)N[C@@H]2CCCc3sccc32)s[n-]1 ZINC000343438553 1030892006 /nfs/dbraw/zinc/89/20/06/1030892006.db2.gz FNRSBPQHRCVAAR-SNVBAGLBSA-N -1 0 336.486 3.518 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1ccc(C2CCC2)cc1)c1ccc(F)cc1 ZINC000262821911 1030921490 /nfs/dbraw/zinc/92/14/90/1030921490.db2.gz FEBRUMGEEFZSKV-SFHVURJKSA-N -1 0 341.382 3.691 20 0 EHADRM CC(C)C[C@H]1C[C@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)CCO1 ZINC000278492651 1031100724 /nfs/dbraw/zinc/10/07/24/1031100724.db2.gz KAVFAXYLTSOFHQ-NEPJUHHUSA-N -1 0 329.799 3.508 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2sc(C)cc2C)c2ncccc12 ZINC000583908692 1031102306 /nfs/dbraw/zinc/10/23/06/1031102306.db2.gz YJDDPYKOYIOJRM-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM CC(C)n1cc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cn1 ZINC000066585480 1031138617 /nfs/dbraw/zinc/13/86/17/1031138617.db2.gz HYEWEYZQFHFBJO-UHFFFAOYSA-N -1 0 334.228 3.572 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)N=c1cc(C(F)(F)F)[n-][nH]1 ZINC000448516782 1031165221 /nfs/dbraw/zinc/16/52/21/1031165221.db2.gz YMOILHQAMVLIAI-UHFFFAOYSA-N -1 0 349.765 3.868 20 0 EHADRM CCC(CC)(CC(=O)Nc1ccc(OC(F)F)c(F)c1)C(=O)[O-] ZINC000390243670 1031171456 /nfs/dbraw/zinc/17/14/56/1031171456.db2.gz CJPUWJOGJGDGQZ-UHFFFAOYSA-N -1 0 333.306 3.647 20 0 EHADRM Cc1coc(-c2ccc(C)c([N-]S(=O)(=O)c3ccccc3F)c2)n1 ZINC000161065390 1031278428 /nfs/dbraw/zinc/27/84/28/1031278428.db2.gz JGQNTDWDVQDNDR-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)C(C)(C)c1ccc(-c2ccccc2)cc1 ZINC000668273119 1031367795 /nfs/dbraw/zinc/36/77/95/1031367795.db2.gz UAIDECZBFZUVCB-AWEZNQCLSA-N -1 0 325.408 3.611 20 0 EHADRM Cc1ccccc1-c1nc(=N[C@H](C)c2cnn(C(C)C)c2)s[n-]1 ZINC000527893355 1031387917 /nfs/dbraw/zinc/38/79/17/1031387917.db2.gz MMPKLIHWNZSQSW-CYBMUJFWSA-N -1 0 327.457 3.886 20 0 EHADRM C[C@@H](c1cccs1)N(C)C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000176275539 1031420299 /nfs/dbraw/zinc/42/02/99/1031420299.db2.gz UEXSOTMODGPYFC-NSHDSACASA-N -1 0 345.399 3.612 20 0 EHADRM CCN(C(=O)N=c1[n-]nc(/C=C/c2ccco2)s1)C1CCCCC1 ZINC000484011249 1031422747 /nfs/dbraw/zinc/42/27/47/1031422747.db2.gz ODYZLWWHEDXJTE-ZHACJKMWSA-N -1 0 346.456 3.910 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N1CC[C@@H](C)C[C@@H](C)C1)C(=O)[O-] ZINC000668301290 1031430901 /nfs/dbraw/zinc/43/09/01/1031430901.db2.gz HWLWNAWTBKQTOT-MGPQQGTHSA-N -1 0 335.469 3.760 20 0 EHADRM CCc1ccc(O)c([N-]S(=O)(=O)c2c(C)ccc3cccnc32)c1 ZINC000477339088 1031466473 /nfs/dbraw/zinc/46/64/73/1031466473.db2.gz GBSJQXAKQMOZFD-UHFFFAOYSA-N -1 0 342.420 3.612 20 0 EHADRM O=S(=O)([N-]c1nc2c(s1)CCCC2)c1ccc(F)cc1Cl ZINC000192728046 1031471301 /nfs/dbraw/zinc/47/13/01/1031471301.db2.gz WFHLQKISJLEAIY-UHFFFAOYSA-N -1 0 346.836 3.615 20 0 EHADRM Cc1ccc(CCCCC(=O)N=c2ccc(C(F)(F)F)n[n-]2)cc1 ZINC000484136982 1031473741 /nfs/dbraw/zinc/47/37/41/1031473741.db2.gz TXHSJQSJYJATNH-UHFFFAOYSA-N -1 0 337.345 3.577 20 0 EHADRM Cc1ccc([C@H]2CCN(C(=O)Cc3ccc(C(=O)[O-])cc3)C2)c(C)c1 ZINC000668322002 1031483185 /nfs/dbraw/zinc/48/31/85/1031483185.db2.gz GNISHMFBHGPVMQ-SFHVURJKSA-N -1 0 337.419 3.560 20 0 EHADRM Cc1ccc2oc(-c3n[n-]c(=NCc4cnn(C(C)C)c4)o3)cc2c1 ZINC000584035381 1031534008 /nfs/dbraw/zinc/53/40/08/1031534008.db2.gz HIUHMYDVQCUUOZ-UHFFFAOYSA-N -1 0 337.383 3.603 20 0 EHADRM CCc1ccc(CC)c(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)c1 ZINC000477429666 1031542680 /nfs/dbraw/zinc/54/26/80/1031542680.db2.gz SWLHDNMQBTVMQL-UHFFFAOYSA-N -1 0 347.436 3.619 20 0 EHADRM CC[C@H](C)CN(C)C(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000084390455 1031620400 /nfs/dbraw/zinc/62/04/00/1031620400.db2.gz IESULXQZOAQPIV-QMMMGPOBSA-N -1 0 334.641 3.926 20 0 EHADRM CN(CC1CCC1)C(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000084390673 1031621564 /nfs/dbraw/zinc/62/15/64/1031621564.db2.gz NKSHNAXWLITXKC-UHFFFAOYSA-N -1 0 332.625 3.680 20 0 EHADRM Cn1c(Cl)nc(Cl)c1CNc1ccc(CCCC(=O)[O-])cc1 ZINC000904011890 1031630732 /nfs/dbraw/zinc/63/07/32/1031630732.db2.gz KXUVEHWQORQECF-UHFFFAOYSA-N -1 0 342.226 3.746 20 0 EHADRM Cn1ncc(C2CCC2)c1CNc1ccc(CCCC(=O)[O-])cc1 ZINC000904012140 1031631976 /nfs/dbraw/zinc/63/19/76/1031631976.db2.gz QIFGYUSSNLZKKN-UHFFFAOYSA-N -1 0 327.428 3.707 20 0 EHADRM CCc1ccccc1[C@H](CC(=O)[O-])NCc1nc(C(C)(C)C)co1 ZINC000904027347 1031633157 /nfs/dbraw/zinc/63/31/57/1031633157.db2.gz ZCFZMPKOCUYPPM-HNNXBMFYSA-N -1 0 330.428 3.840 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3ncc[nH]3)cc2)c(C)s1 ZINC000178192288 1031640674 /nfs/dbraw/zinc/64/06/74/1031640674.db2.gz MRSIXJBGMUMHCT-UHFFFAOYSA-N -1 0 333.438 3.556 20 0 EHADRM Cc1oc2ncnc(NC(=O)c3coc(-c4ccccc4)n3)c2c1C ZINC000151585940 1031665963 /nfs/dbraw/zinc/66/59/63/1031665963.db2.gz FBGQDDAMLHOAGM-UHFFFAOYSA-N -1 0 334.335 3.747 20 0 EHADRM OCc1ccc(CSc2n[n-]c(=Nc3ccccc3F)s2)cc1 ZINC000484517478 1031671714 /nfs/dbraw/zinc/67/17/14/1031671714.db2.gz SLOMOUJWXBSUIA-UHFFFAOYSA-N -1 0 347.440 3.627 20 0 EHADRM O=S(=O)([N-]c1ccccc1OC(F)F)c1cc2ccccc2o1 ZINC000084920039 1031705754 /nfs/dbraw/zinc/70/57/54/1031705754.db2.gz BCEQBRJOOXWPGB-UHFFFAOYSA-N -1 0 339.319 3.835 20 0 EHADRM Cn1ncc2c1[n-]cc(C(=O)Nc1ccccc1-c1ccccc1)c2=O ZINC000179398338 1031746701 /nfs/dbraw/zinc/74/67/01/1031746701.db2.gz IXSCQTIEDSQRCQ-UHFFFAOYSA-N -1 0 344.374 3.593 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)N=c1cc(-c2ccccc2)[nH][nH]1 ZINC000431542923 1031785213 /nfs/dbraw/zinc/78/52/13/1031785213.db2.gz FWJGGSNASBCCAC-UHFFFAOYSA-N -1 0 344.374 3.714 20 0 EHADRM CCC(CC)c1nnc([N-]S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000005940196 1031836699 /nfs/dbraw/zinc/83/66/99/1031836699.db2.gz FYSBLFDVLISXCY-UHFFFAOYSA-N -1 0 345.877 3.896 20 0 EHADRM Cc1ccc(NC(=O)C(C)C)cc1N[C@@H]1C[C@@H](NC(=O)[O-])C12CCC2 ZINC000904194727 1031841591 /nfs/dbraw/zinc/84/15/91/1031841591.db2.gz DNQLLPOJGBTJOO-HZPDHXFCSA-N -1 0 345.443 3.580 20 0 EHADRM CC1CCN(c2cccc(N[C@H]3C[C@H](NC(=O)[O-])C34CCC4)c2)CC1 ZINC000904198541 1031845449 /nfs/dbraw/zinc/84/54/49/1031845449.db2.gz ACUGHNOWBMKMCE-ROUUACIJSA-N -1 0 343.471 3.914 20 0 EHADRM Cc1ccc(N[C@H]2C[C@H](NC(=O)[O-])C23CCC3)cc1-c1ncco1 ZINC000904198553 1031846409 /nfs/dbraw/zinc/84/64/09/1031846409.db2.gz AKPXEWVPIWVGJG-GJZGRUSLSA-N -1 0 327.384 3.641 20 0 EHADRM COc1cccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000537728711 1031858530 /nfs/dbraw/zinc/85/85/30/1031858530.db2.gz PEBOAQOKOACIMX-UHFFFAOYSA-N -1 0 342.178 3.725 20 0 EHADRM O=C([O-])N[C@@H]1C[C@H](Nc2ccc3c(c2)OC2(CCCC2)O3)C12CCC2 ZINC000904229522 1031868576 /nfs/dbraw/zinc/86/85/76/1031868576.db2.gz JEHDKKSDAMXNLQ-JKSUJKDBSA-N -1 0 344.411 3.719 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)oc2C)cc1Cl ZINC000181198474 1031953251 /nfs/dbraw/zinc/95/32/51/1031953251.db2.gz JVHZOJBYXJIXLL-UHFFFAOYSA-N -1 0 327.789 3.553 20 0 EHADRM CN(C(=O)c1cc(F)cc(Cl)c1[O-])[C@H]1CCc2ccccc2C1 ZINC000151729190 1031956835 /nfs/dbraw/zinc/95/68/35/1031956835.db2.gz UNOLMSPCEFTDTF-AWEZNQCLSA-N -1 0 333.790 3.814 20 0 EHADRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000448995123 1032003073 /nfs/dbraw/zinc/00/30/73/1032003073.db2.gz PRFKLDKUUYADAH-CABCVRRESA-N -1 0 348.830 3.514 20 0 EHADRM CCc1cc(C(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)sc1C ZINC000448998735 1032007800 /nfs/dbraw/zinc/00/78/00/1032007800.db2.gz XNZAGJWCSZDTRL-HOTGVXAUSA-N -1 0 343.448 3.559 20 0 EHADRM Cc1cc(=NC(=O)N2CCCC[C@@H]2c2cccc(Cl)c2)[n-]nc1C ZINC000584271047 1032047670 /nfs/dbraw/zinc/04/76/70/1032047670.db2.gz VFHARVJSYOWHOO-MRXNPFEDSA-N -1 0 344.846 3.928 20 0 EHADRM CCOCc1nc(C)c(C(=O)Nc2cccc(Cl)c2[O-])s1 ZINC000449856840 1033329917 /nfs/dbraw/zinc/32/99/17/1033329917.db2.gz PIUZJEDWUCHLBS-UHFFFAOYSA-N -1 0 326.805 3.599 20 0 EHADRM CC(C)Cc1n[n-]c(=NCc2cccc(OCc3ccccc3)c2)o1 ZINC000537489864 1033369686 /nfs/dbraw/zinc/36/96/86/1033369686.db2.gz WYWGCBUEYWKQAC-UHFFFAOYSA-N -1 0 337.423 3.881 20 0 EHADRM COc1ccc(C(C)=O)c(Nc2ccc(C(=O)[O-])cc2C)c1OC ZINC001211624648 1033389833 /nfs/dbraw/zinc/38/98/33/1033389833.db2.gz OLUQWZVQOPWUEO-UHFFFAOYSA-N -1 0 329.352 3.657 20 0 EHADRM c1[nH]nc2c1cccc2CN=c1[n-]nc(CC2CCCCC2)s1 ZINC000537491686 1033410264 /nfs/dbraw/zinc/41/02/64/1033410264.db2.gz UMQNAXRZALIIGL-UHFFFAOYSA-N -1 0 327.457 3.571 20 0 EHADRM COc1cccc2c1OCC[C@@H]2N=c1nc(-c2ccccc2)[n-]s1 ZINC000608082103 1033461906 /nfs/dbraw/zinc/46/19/06/1033461906.db2.gz ABSISPKLIZSOJC-AWEZNQCLSA-N -1 0 339.420 3.571 20 0 EHADRM CS[C@@H](C)CCC(=O)N=c1ccc(-c2ccc(Cl)s2)n[n-]1 ZINC000598869100 1033538842 /nfs/dbraw/zinc/53/88/42/1033538842.db2.gz NEUGRHCETUZMST-VIFPVBQESA-N -1 0 341.889 3.751 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)[C@@H]2CCCc3sccc32)cc1 ZINC000322393016 1033608074 /nfs/dbraw/zinc/60/80/74/1033608074.db2.gz RBYWEABVMLMISY-WUKHSURWSA-N -1 0 327.405 3.905 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)n2)cc(C)c1F ZINC000174001833 1033651468 /nfs/dbraw/zinc/65/14/68/1033651468.db2.gz ZAUKDQMYQKDWPC-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM CC(C)c1cnc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)s1 ZINC000174012996 1033676830 /nfs/dbraw/zinc/67/68/30/1033676830.db2.gz NQMJNWGDDYAWBO-UHFFFAOYSA-N -1 0 334.466 3.996 20 0 EHADRM C[C@@H](CCN=c1[n-]nc(C2CC2)o1)c1cccc(C(F)(F)F)c1 ZINC000574863771 1033685135 /nfs/dbraw/zinc/68/51/35/1033685135.db2.gz CMEPCBGKLZXHKP-JTQLQIEISA-N -1 0 325.334 3.993 20 0 EHADRM O=C([O-])[C@H](CC(=O)Nc1ccc(OCC2CC2)cc1)c1ccccc1 ZINC000603510793 1033719405 /nfs/dbraw/zinc/71/94/05/1033719405.db2.gz XDOATFMQQZWNAK-GOSISDBHSA-N -1 0 339.391 3.672 20 0 EHADRM Cc1onc(C2CC2)c1C(=O)Nc1ccc(O)c(C(F)(F)F)c1 ZINC000450088473 1033750994 /nfs/dbraw/zinc/75/09/94/1033750994.db2.gz QBELHVUVPCUPGT-UHFFFAOYSA-N -1 0 326.274 3.837 20 0 EHADRM C[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)[C@@H]1CCC[C@@H](C)C1 ZINC001212177759 1033878446 /nfs/dbraw/zinc/87/84/46/1033878446.db2.gz XCZWXSUBUGDLAU-OUAUKWLOSA-N -1 0 335.391 3.597 20 0 EHADRM COc1ccc(C=CC(=O)[N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000046929728 1033886797 /nfs/dbraw/zinc/88/67/97/1033886797.db2.gz VIOCDUXDLPJGGK-YRNVUSSQSA-N -1 0 345.420 3.671 20 0 EHADRM COc1ccc(C=CC(=O)[N-]S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC000046929941 1033890453 /nfs/dbraw/zinc/89/04/53/1033890453.db2.gz NOIZWOMWHGEEOW-YRNVUSSQSA-N -1 0 345.420 3.671 20 0 EHADRM O=c1nc(CCCCO)[n-]c2cc(-c3cccc(Cl)c3)sc21 ZINC000603740327 1033890389 /nfs/dbraw/zinc/89/03/89/1033890389.db2.gz WVRZGGLSDXJWHP-UHFFFAOYSA-N -1 0 334.828 3.620 20 0 EHADRM CCc1ccccc1OCC(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000046929833 1033894855 /nfs/dbraw/zinc/89/48/55/1033894855.db2.gz UWSKNVZCYIKFKG-UHFFFAOYSA-N -1 0 347.436 3.590 20 0 EHADRM O=C(NCCc1c[nH]c2ccc(F)cc12)c1ccc([O-])c(Cl)c1 ZINC000116981159 1033923000 /nfs/dbraw/zinc/92/30/00/1033923000.db2.gz PNZXWEXUJKDENX-UHFFFAOYSA-N -1 0 332.762 3.639 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccccc2)s1)c1ccc(-c2ccccc2)[nH]1 ZINC000599477877 1033950611 /nfs/dbraw/zinc/95/06/11/1033950611.db2.gz HWFJOFVIGHNFCG-UHFFFAOYSA-N -1 0 346.415 3.874 20 0 EHADRM Cc1nc2ccccc2n1CCCNC(=O)c1ccc([O-])c(Cl)c1 ZINC000055430176 1033957928 /nfs/dbraw/zinc/95/79/28/1033957928.db2.gz ARVMWCDRIQCWTF-UHFFFAOYSA-N -1 0 343.814 3.524 20 0 EHADRM CSCc1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1 ZINC000608955695 1033971694 /nfs/dbraw/zinc/97/16/94/1033971694.db2.gz LYOQRJLZUMJKET-UHFFFAOYSA-N -1 0 347.383 3.768 20 0 EHADRM Cc1ccc([C@H](C)NCc2nc3c4ccccc4oc3c(=O)[nH]2)cc1 ZINC000120655088 1034013286 /nfs/dbraw/zinc/01/32/86/1034013286.db2.gz JACDASCBCZAPMH-ZDUSSCGKSA-N -1 0 333.391 3.829 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1cnn(-c2ccccc2)n1 ZINC000322860641 1034021770 /nfs/dbraw/zinc/02/17/70/1034021770.db2.gz MKFWRQDHCCHIKD-UHFFFAOYSA-N -1 0 349.177 3.532 20 0 EHADRM CCC[C@@H](CC(C)C)C(=O)Nc1cc(S(=O)(=O)CC)ccc1[O-] ZINC000450289306 1034031285 /nfs/dbraw/zinc/03/12/85/1034031285.db2.gz BFSOMXIKOCKCND-ZDUSSCGKSA-N -1 0 341.473 3.587 20 0 EHADRM O=C([O-])c1ccc(CN2CCO[C@H](c3c(F)cccc3Cl)C2)cc1 ZINC000647377461 1034115265 /nfs/dbraw/zinc/11/52/65/1034115265.db2.gz LICPEAUWHSBOIX-INIZCTEOSA-N -1 0 349.789 3.751 20 0 EHADRM CC[C@H](c1n[n-]c(=NC(=O)N(C)C2CCCC2)s1)c1ccccc1 ZINC000604155645 1034250848 /nfs/dbraw/zinc/25/08/48/1034250848.db2.gz KWQAKMZJTFXTIF-HNNXBMFYSA-N -1 0 344.484 3.908 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2scnc2C2CC2)c(Cl)cc1F ZINC000534234757 1034304464 /nfs/dbraw/zinc/30/44/64/1034304464.db2.gz FQCQFDRYXRKBSN-UHFFFAOYSA-N -1 0 346.836 3.922 20 0 EHADRM COCCC1CCN(C(=O)c2c([O-])cc(Cl)cc2Cl)CC1 ZINC000529632666 1034316415 /nfs/dbraw/zinc/31/64/15/1034316415.db2.gz FLYNSVLNKPDOQR-UHFFFAOYSA-N -1 0 332.227 3.588 20 0 EHADRM Cc1cccc(-c2cccc(CNC(=O)CC(C)(C)C(=O)[O-])c2)c1 ZINC000604413497 1034371632 /nfs/dbraw/zinc/37/16/32/1034371632.db2.gz CIJLLKAHNISLTG-UHFFFAOYSA-N -1 0 325.408 3.779 20 0 EHADRM O=S(=O)([N-]c1cccc2ccncc21)c1cc(F)cc(Cl)c1 ZINC000534402264 1034497268 /nfs/dbraw/zinc/49/72/68/1034497268.db2.gz PJSHVHUXFQRHKA-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM O=C(Nc1n[nH]c(-c2ccco2)n1)c1ccc(Oc2ccccc2)cn1 ZINC000669600921 1034558773 /nfs/dbraw/zinc/55/87/73/1034558773.db2.gz GIBXZFXEBJCYHJ-UHFFFAOYSA-N -1 0 347.334 3.504 20 0 EHADRM COCCOc1ccc(-c2ccccc2OCCCC(=O)[O-])cc1 ZINC000517395357 1034579720 /nfs/dbraw/zinc/57/97/20/1034579720.db2.gz HTXKYQRDUKMEHB-UHFFFAOYSA-N -1 0 330.380 3.622 20 0 EHADRM C[C@]1(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2)CCc2ccccc2C1 ZINC000076757163 1034586953 /nfs/dbraw/zinc/58/69/53/1034586953.db2.gz PSRGUQRQEUFVDO-SFHVURJKSA-N -1 0 347.411 3.666 20 0 EHADRM CC1(C(=O)[O-])CCN(c2nc3ccccc3c(-c3ccccc3)n2)CC1 ZINC000647457841 1034593087 /nfs/dbraw/zinc/59/30/87/1034593087.db2.gz BXCVLJOGRAJSMW-UHFFFAOYSA-N -1 0 347.418 3.988 20 0 EHADRM O=C(c1nn(-c2ccccc2)cc1[O-])N1CC2(CCC2)[C@H]1c1ccco1 ZINC000456588843 1034596388 /nfs/dbraw/zinc/59/63/88/1034596388.db2.gz ONQLVJDTLXISBO-GOSISDBHSA-N -1 0 349.390 3.538 20 0 EHADRM Fc1cc(F)cc(O[C@@H]2CCC[C@@H]2N=c2[n-]nc(C3CC3)s2)c1 ZINC000343813937 1034636716 /nfs/dbraw/zinc/63/67/16/1034636716.db2.gz QRUZUKYFHZMXSE-UONOGXRCSA-N -1 0 337.395 3.528 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000326438367 1034649931 /nfs/dbraw/zinc/64/99/31/1034649931.db2.gz UELZGARPKLDYFB-ZYHUDNBSSA-N -1 0 344.333 3.588 20 0 EHADRM O=C(Nc1cccc(C2CCOCC2)c1)c1c([O-])cc(F)cc1F ZINC000529936995 1034768467 /nfs/dbraw/zinc/76/84/67/1034768467.db2.gz OBBICXVDMPUZIV-UHFFFAOYSA-N -1 0 333.334 3.817 20 0 EHADRM Cc1ccc(Cl)cc1N1CC[C@H](CN=c2[n-]c(C(C)C)no2)C1 ZINC000605693142 1034820731 /nfs/dbraw/zinc/82/07/31/1034820731.db2.gz SVXODUAGKZEPTE-CYBMUJFWSA-N -1 0 334.851 3.515 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000601986398 1034849402 /nfs/dbraw/zinc/84/94/02/1034849402.db2.gz DDOAQGKMUSZICU-ZJUUUORDSA-N -1 0 349.374 3.715 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])c(Cl)c1 ZINC000601987335 1034849682 /nfs/dbraw/zinc/84/96/82/1034849682.db2.gz GYUVDNRDEBETDD-ZJUUUORDSA-N -1 0 345.848 3.661 20 0 EHADRM CC(C)(CNC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1)C(F)(F)F ZINC000548932866 1034962855 /nfs/dbraw/zinc/96/28/55/1034962855.db2.gz ZQCDESSCVFDEPS-HNNXBMFYSA-N -1 0 337.382 3.752 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)N(Cc2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000570022372 1034984557 /nfs/dbraw/zinc/98/45/57/1034984557.db2.gz FZUZKKRHIMYNKV-HZPDHXFCSA-N -1 0 340.423 3.741 20 0 EHADRM CC[C@H](Cc1ccc(NS(=O)(=O)CC(C)(C)CC)cc1)C(=O)[O-] ZINC000530136533 1035013505 /nfs/dbraw/zinc/01/35/05/1035013505.db2.gz HQPNRVXPGDYQAY-CQSZACIVSA-N -1 0 341.473 3.518 20 0 EHADRM CC(C)N(C)c1ccccc1[N-]S(=O)(=O)c1sccc1F ZINC000451020534 1035018725 /nfs/dbraw/zinc/01/87/25/1035018725.db2.gz XNNHFWIMJNZKGU-UHFFFAOYSA-N -1 0 328.434 3.533 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)Cc2ccccc2C(=O)[O-])s1 ZINC000347355319 1035033345 /nfs/dbraw/zinc/03/33/45/1035033345.db2.gz VXJRBLQWVVRXLS-HNNXBMFYSA-N -1 0 329.421 3.661 20 0 EHADRM O=C([O-])Cn1ccc2cc(NC(=O)c3ccc(Cl)c(F)c3)ccc21 ZINC000431666523 1035159415 /nfs/dbraw/zinc/15/94/15/1035159415.db2.gz KMCDHGXECDMAFA-UHFFFAOYSA-N -1 0 346.745 3.771 20 0 EHADRM CC[C@H](c1n[n-]c(=NC(=O)NCCCC2CC2)s1)c1ccccc1 ZINC000584496032 1035169835 /nfs/dbraw/zinc/16/98/35/1035169835.db2.gz JYRTUYJZADQLNZ-HNNXBMFYSA-N -1 0 344.484 3.814 20 0 EHADRM COc1cc(C(=O)NCc2cnccc2C(C)(C)C)cc(Cl)c1O ZINC000413944312 1035265274 /nfs/dbraw/zinc/26/52/74/1035265274.db2.gz ZMKIULBIZZLMLF-UHFFFAOYSA-N -1 0 348.830 3.677 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000317338852 1035298624 /nfs/dbraw/zinc/29/86/24/1035298624.db2.gz QFGINOPLYXUSRF-RKDXNWHRSA-N -1 0 335.709 3.798 20 0 EHADRM O=C(c1s[n-]c(=O)c1Cl)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000376157671 1035351195 /nfs/dbraw/zinc/35/11/95/1035351195.db2.gz LYESDOCMUUKKDZ-SECBINFHSA-N -1 0 329.208 3.743 20 0 EHADRM O=C(Nc1ccc(Br)cc1O)c1c(F)cc(F)cc1F ZINC000160418478 1035394580 /nfs/dbraw/zinc/39/45/80/1035394580.db2.gz ACSJBQLLRIFSLW-UHFFFAOYSA-N -1 0 346.102 3.824 20 0 EHADRM Cc1ccn([C@H](C)CC(=O)Nc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000613183501 1035440634 /nfs/dbraw/zinc/44/06/34/1035440634.db2.gz RMWXEBOKJPSBIO-SECBINFHSA-N -1 0 328.199 3.794 20 0 EHADRM CC(C)(CNC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)C1=CCCC1 ZINC000308769077 1035541553 /nfs/dbraw/zinc/54/15/53/1035541553.db2.gz MLFKQEPFGDQESX-HXUWFJFHSA-N -1 0 329.440 3.672 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)Cc1csc2ccccc12)C1CCCCC1 ZINC000540704105 1035584404 /nfs/dbraw/zinc/58/44/04/1035584404.db2.gz QSIWRAHNWRAWDM-MRXNPFEDSA-N -1 0 345.464 3.984 20 0 EHADRM CCC(CC)c1nnc([N-]S(=O)(=O)Cc2ccccc2C)s1 ZINC000186602476 1035670541 /nfs/dbraw/zinc/67/05/41/1035670541.db2.gz OORVROGLMLVJHG-UHFFFAOYSA-N -1 0 339.486 3.692 20 0 EHADRM Cc1cccc2cc(C(=O)NCC3(CC(=O)[O-])CCCCC3)oc21 ZINC000540775416 1035671836 /nfs/dbraw/zinc/67/18/36/1035671836.db2.gz GPKPFHIWWOLOFN-UHFFFAOYSA-N -1 0 329.396 3.896 20 0 EHADRM CC(C)N(C(=O)c1nn(-c2ccccc2F)cc1[O-])C1CC(C)(C)C1 ZINC000457084008 1035697306 /nfs/dbraw/zinc/69/73/06/1035697306.db2.gz ZWDHBUATKZXDQJ-UHFFFAOYSA-N -1 0 345.418 3.756 20 0 EHADRM Cc1n[n-]c(=NCc2cc(C)c(OCc3ccccc3C)c(C)c2)o1 ZINC000540808243 1035700212 /nfs/dbraw/zinc/70/02/12/1035700212.db2.gz JJOWQIRXVLXVJP-UHFFFAOYSA-N -1 0 337.423 3.916 20 0 EHADRM C[C@@H]1C[C@H](c2cccnc2)N(C(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000186836799 1035728415 /nfs/dbraw/zinc/72/84/15/1035728415.db2.gz FIDRDIQPLSHVKU-MEBBXXQBSA-N -1 0 334.778 3.803 20 0 EHADRM O=C([O-])c1cc(/C=C\c2ccc(OC(F)F)c(Cl)c2)ncn1 ZINC000534879250 1035737844 /nfs/dbraw/zinc/73/78/44/1035737844.db2.gz FADWKJPVCCTLNU-IWQZZHSRSA-N -1 0 326.686 3.600 20 0 EHADRM O=C(Nc1ncc(C2CCCCC2)s1)c1ccc2oc(=O)nc-2[n-]1 ZINC000613402431 1035749232 /nfs/dbraw/zinc/74/92/32/1035749232.db2.gz KDUWZAAWBXYLIN-UHFFFAOYSA-N -1 0 344.396 3.685 20 0 EHADRM COc1c(C(=O)[O-])sc(C)c1-c1ccc(O[C@H]2CCOC2)c(C)c1 ZINC000571894046 1035776466 /nfs/dbraw/zinc/77/64/66/1035776466.db2.gz DUJHDSNPEULQMO-ZDUSSCGKSA-N -1 0 348.420 3.906 20 0 EHADRM CCCC[C@@H](NC(=O)Nc1cccc(CCC(F)(F)F)c1)C(=O)[O-] ZINC000571910002 1035784516 /nfs/dbraw/zinc/78/45/16/1035784516.db2.gz ISMKMRBLIMTFHF-CYBMUJFWSA-N -1 0 346.349 3.946 20 0 EHADRM O=C([O-])CCc1cc(-c2ccccc2OC[C@H]2CCOC2)cs1 ZINC000571939855 1035842279 /nfs/dbraw/zinc/84/22/79/1035842279.db2.gz QOWPFYHMPBEMKQ-ZDUSSCGKSA-N -1 0 332.421 3.848 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2sccc2C)c2ncccc12 ZINC000463803531 1035857026 /nfs/dbraw/zinc/85/70/26/1035857026.db2.gz YOITVVUHWGIHQR-UHFFFAOYSA-N -1 0 348.449 3.804 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ncc(C(C)(C)C)s2)c1F ZINC000541007453 1035889049 /nfs/dbraw/zinc/88/90/49/1035889049.db2.gz RLDGFJWWGWPGGC-UHFFFAOYSA-N -1 0 328.434 3.689 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2ccccc2CCCC(=O)[O-])c(C)c1 ZINC000541000041 1035902116 /nfs/dbraw/zinc/90/21/16/1035902116.db2.gz BNWWDTOWEGACII-UHFFFAOYSA-N -1 0 347.436 3.512 20 0 EHADRM Cc1ccc(CC(=O)[O-])cc1-c1cccc(CO[C@H]2CCOC2)c1 ZINC000521371683 1035922189 /nfs/dbraw/zinc/92/21/89/1035922189.db2.gz JRJNSKBXFBWQQM-SFHVURJKSA-N -1 0 326.392 3.595 20 0 EHADRM C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)C(=O)[O-] ZINC000164859347 1035977825 /nfs/dbraw/zinc/97/78/25/1035977825.db2.gz XUIBECOXWZXNSY-QWHCGFSZSA-N -1 0 339.391 3.634 20 0 EHADRM CC(C)Cc1nc(C(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)cs1 ZINC000646465839 1036020474 /nfs/dbraw/zinc/02/04/74/1036020474.db2.gz RYKPHQWROHZPCT-UHFFFAOYSA-N -1 0 342.424 3.690 20 0 EHADRM C[C@@H](Oc1cccc(-c2cccc(CO[C@@H]3CCOC3)c2)c1)C(=O)[O-] ZINC000572379646 1036093460 /nfs/dbraw/zinc/09/34/60/1036093460.db2.gz MOHFQDNLMNJQCV-AUUYWEPGSA-N -1 0 342.391 3.511 20 0 EHADRM [O-]c1c(Cl)cc(Cl)cc1/C=N/C[C@@H](O)COc1ccccc1 ZINC000032074271 1036100281 /nfs/dbraw/zinc/10/02/81/1036100281.db2.gz DVKRTHSYLOARMH-KMDAILJESA-N -1 0 340.206 3.558 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)Cc2ccc(C(F)F)cc2)on1 ZINC000572454111 1036122250 /nfs/dbraw/zinc/12/22/50/1036122250.db2.gz QVKHHVHZDACIMO-UHFFFAOYSA-N -1 0 344.383 3.852 20 0 EHADRM CC[C@H](C)[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000248844712 1036139922 /nfs/dbraw/zinc/13/99/22/1036139922.db2.gz AGCRNZPYZCGLSR-IMSIIYSGSA-N -1 0 329.799 3.793 20 0 EHADRM COc1ccc(OC)c(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000318468719 1036191424 /nfs/dbraw/zinc/19/14/24/1036191424.db2.gz XSRGJAYNUCJBNV-UHFFFAOYSA-N -1 0 342.178 3.969 20 0 EHADRM O=C(c1ccc2oc(=O)nc-2[n-]1)N1CCCC2(C1)CCCCCC2 ZINC000669315789 1036227171 /nfs/dbraw/zinc/22/71/71/1036227171.db2.gz KKWBDNBSKJSEKP-UHFFFAOYSA-N -1 0 329.400 3.505 20 0 EHADRM CCOC(=O)c1sc(/C=C/c2cc(F)c([O-])c(F)c2)nc1C ZINC000175325993 1036314806 /nfs/dbraw/zinc/31/48/06/1036314806.db2.gz IOXAUHUGTJWJAR-SNAWJCMRSA-N -1 0 325.336 3.782 20 0 EHADRM CC[C@@H](C)Oc1ccccc1-c1ccc(C(=O)N(C)CC(=O)[O-])s1 ZINC000572663388 1036452493 /nfs/dbraw/zinc/45/24/93/1036452493.db2.gz NTVNSOHJPATHSS-GFCCVEGCSA-N -1 0 347.436 3.749 20 0 EHADRM CCc1ccc(CCC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1 ZINC000263149630 1036453703 /nfs/dbraw/zinc/45/37/03/1036453703.db2.gz HJCRCRBCDIJHFU-UHFFFAOYSA-N -1 0 329.371 3.587 20 0 EHADRM CCOc1ccc(F)c(NC(=O)CC2(C(=O)[O-])CCCCC2)c1F ZINC000535393682 1036454965 /nfs/dbraw/zinc/45/49/65/1036454965.db2.gz QPOVQXPSLPXUSC-UHFFFAOYSA-N -1 0 341.354 3.727 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000541575151 1036466278 /nfs/dbraw/zinc/46/62/78/1036466278.db2.gz KMCOCWLBXAMIGU-ZTFGCOKTSA-N -1 0 347.455 3.730 20 0 EHADRM CC(C)(C)[C@@H]1C[C@H](N=c2[n-]nc(Cc3ccc(F)cc3)s2)CCO1 ZINC000541577968 1036471634 /nfs/dbraw/zinc/47/16/34/1036471634.db2.gz NCYASYJOIZNCSP-CABCVRRESA-N -1 0 349.475 3.696 20 0 EHADRM CN(CCC1CCCCC1)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000175882004 1036508510 /nfs/dbraw/zinc/50/85/10/1036508510.db2.gz AYXVIQDBRMZEOP-UHFFFAOYSA-N -1 0 327.428 3.620 20 0 EHADRM O=C([O-])c1cc(F)c(F)cc1C(=O)N1CCC(c2ccccc2)CC1 ZINC000327371152 1036588558 /nfs/dbraw/zinc/58/85/58/1036588558.db2.gz VWVLUGKEUYMGOV-UHFFFAOYSA-N -1 0 345.345 3.683 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)CCCO2)c1ccc(Cl)s1 ZINC000082353942 1036590566 /nfs/dbraw/zinc/59/05/66/1036590566.db2.gz RAZKYYYFVBQECH-UHFFFAOYSA-N -1 0 329.830 3.527 20 0 EHADRM CC(C)(C)C1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])CC1 ZINC000176297773 1036596684 /nfs/dbraw/zinc/59/66/84/1036596684.db2.gz WNBNXUMBRCOYHT-UHFFFAOYSA-N -1 0 345.418 3.615 20 0 EHADRM CC(C)[C@H](CNC(=O)Nc1cccc(C(F)F)c1Cl)C(=O)[O-] ZINC000653542246 1036596736 /nfs/dbraw/zinc/59/67/36/1036596736.db2.gz KZJXZKIMGZFPMA-VIFPVBQESA-N -1 0 334.750 3.756 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)C(=O)[O-] ZINC000263200399 1036628297 /nfs/dbraw/zinc/62/82/97/1036628297.db2.gz UZBZMMAUEKOJBU-SRVKXCTJSA-N -1 0 337.382 3.751 20 0 EHADRM O=C(N=c1nc(-c2cccc(Cl)c2)[n-]s1)N1CC[C@H](C2CC2)C1 ZINC000541798975 1036656325 /nfs/dbraw/zinc/65/63/25/1036656325.db2.gz QIEUMRYJMYMWQS-LBPRGKRZSA-N -1 0 348.859 3.544 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)CSc2ccccc2Cl)s[n-]1 ZINC000589938245 1036666921 /nfs/dbraw/zinc/66/69/21/1036666921.db2.gz NBHLLTIBYRYPCM-UHFFFAOYSA-N -1 0 341.889 3.642 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)COc2ccccc2C(C)(C)C)s[n-]1 ZINC000589936781 1036667191 /nfs/dbraw/zinc/66/71/91/1036667191.db2.gz XHFAASTXNVDYNE-UHFFFAOYSA-N -1 0 347.484 3.573 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)C2(c3ccc(Cl)cc3)CC2)s[n-]1 ZINC000589938303 1036667611 /nfs/dbraw/zinc/66/76/11/1036667611.db2.gz SBZWAZXGZBWRIZ-UHFFFAOYSA-N -1 0 335.860 3.581 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)s[n-]1 ZINC000589937879 1036669114 /nfs/dbraw/zinc/66/91/14/1036669114.db2.gz XUKDJSOHKBSLOF-VXGBXAGGSA-N -1 0 335.860 3.653 20 0 EHADRM CCC[C@@H](CNC(=O)c1ccccc1SCC=C(C)C)C(=O)[O-] ZINC000263239185 1036682105 /nfs/dbraw/zinc/68/21/05/1036682105.db2.gz SZJCLRPUCYWPOM-AWEZNQCLSA-N -1 0 335.469 3.976 20 0 EHADRM O=S(=O)([N-]c1cc(F)c(F)cc1Cl)c1c(F)cccc1F ZINC000176726803 1036683544 /nfs/dbraw/zinc/68/35/44/1036683544.db2.gz XRINWCHILYBVQB-UHFFFAOYSA-N -1 0 339.697 3.697 20 0 EHADRM O=S(=O)([N-]c1cccc(OCC(F)(F)F)c1)c1ccccc1F ZINC000032600009 1036745528 /nfs/dbraw/zinc/74/55/28/1036745528.db2.gz BTROFIOOOMTMGE-UHFFFAOYSA-N -1 0 349.305 3.568 20 0 EHADRM O=C([O-])C1(CC(=O)N2CCc3c(Cl)cc(Cl)cc3C2)CCC1 ZINC000263288543 1036755464 /nfs/dbraw/zinc/75/54/64/1036755464.db2.gz QHVAMOQYWSVODI-UHFFFAOYSA-N -1 0 342.222 3.523 20 0 EHADRM CC(C)CC[C@H]1CCC[C@H]1NC(=O)N=c1[n-]nc(C(F)F)s1 ZINC000590139991 1036788880 /nfs/dbraw/zinc/78/88/80/1036788880.db2.gz YKENEKLVFIJYHD-NXEZZACHSA-N -1 0 332.420 3.624 20 0 EHADRM Cc1nc(C(=O)N2CCCCC[C@@H]2c2ccccc2)ccc1C(=O)[O-] ZINC000263333581 1036793479 /nfs/dbraw/zinc/79/34/79/1036793479.db2.gz MVJGRVAMINYHMC-GOSISDBHSA-N -1 0 338.407 3.846 20 0 EHADRM CC(C)C[C@H](NC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1)c1ccccc1 ZINC000263355695 1036804252 /nfs/dbraw/zinc/80/42/52/1036804252.db2.gz QTMUZURYPKFXLV-UAGQMJEPSA-N -1 0 332.444 3.526 20 0 EHADRM C[C@@H](NC(=O)c1cccc(Br)c1[O-])c1ccsc1 ZINC000669918053 1036835666 /nfs/dbraw/zinc/83/56/66/1036835666.db2.gz XIXQBZDUTBTHNH-MRVPVSSYSA-N -1 0 326.215 3.707 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)c(Cl)c1 ZINC000590385047 1036845808 /nfs/dbraw/zinc/84/58/08/1036845808.db2.gz NTHLYMAGLQZHJM-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM COCc1n[n-]c(=N[C@H](c2ccc(Cl)cc2F)C(C)C)s1 ZINC000541945695 1036848556 /nfs/dbraw/zinc/84/85/56/1036848556.db2.gz NRKBLXNCZAVKCW-ZDUSSCGKSA-N -1 0 329.828 3.708 20 0 EHADRM Cc1ccc(O)c([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c1 ZINC000464839814 1036854978 /nfs/dbraw/zinc/85/49/78/1036854978.db2.gz ZOBBYANOQXNTMW-UHFFFAOYSA-N -1 0 346.433 3.625 20 0 EHADRM COc1cc([C@@H](C)N=c2nc(C)[n-]s2)ccc1OCCC(C)C ZINC000462369015 1036876005 /nfs/dbraw/zinc/87/60/05/1036876005.db2.gz KOBUTECVHXAUGJ-GFCCVEGCSA-N -1 0 335.473 3.875 20 0 EHADRM Cc1cccc(CS(=O)(=O)[N-]c2cc(-c3ccccc3)on2)c1 ZINC000186598122 1036891468 /nfs/dbraw/zinc/89/14/68/1036891468.db2.gz GNRWHZUCTWASMO-UHFFFAOYSA-N -1 0 328.393 3.592 20 0 EHADRM COc1ccc(Cl)cc1CN=c1nc(-c2ccccc2)[n-]s1 ZINC000462383804 1036904256 /nfs/dbraw/zinc/90/42/56/1036904256.db2.gz IXELETWNVYHZOJ-UHFFFAOYSA-N -1 0 331.828 3.901 20 0 EHADRM Cc1csc(-c2ccc(NC(=O)[C@@]3(C(=O)[O-])CC=CCC3)cc2)n1 ZINC000653282168 1036958027 /nfs/dbraw/zinc/95/80/27/1036958027.db2.gz PCUJYMCCGPLSEN-GOSISDBHSA-N -1 0 342.420 3.868 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)C[C@H]1C ZINC000648490548 1036965113 /nfs/dbraw/zinc/96/51/13/1036965113.db2.gz LYKQWKSPFDWZQO-RKVPGOIHSA-N -1 0 343.467 3.886 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C[C@@H]1CCc2ccccc2C1)C1CCCCC1 ZINC000539605428 1036966785 /nfs/dbraw/zinc/96/67/85/1036966785.db2.gz TXIGAIKQMMSNLL-DNVCBOLYSA-N -1 0 343.467 3.721 20 0 EHADRM CC(C)Oc1ccccc1CC(=O)N[C@@H](CC(=O)[O-])C1CCCCC1 ZINC000539605595 1036969487 /nfs/dbraw/zinc/96/94/87/1036969487.db2.gz BAYBWELPURUQLS-KRWDZBQOSA-N -1 0 347.455 3.556 20 0 EHADRM CCn1cc(C(=O)N[C@H](CC(=O)[O-])C2CCCCC2)c2ccccc21 ZINC000539607941 1036972523 /nfs/dbraw/zinc/97/25/23/1036972523.db2.gz HFGRQWPEXVDLHP-QGZVFWFLSA-N -1 0 342.439 3.815 20 0 EHADRM Cn1ccc2c1cccc2[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000590695312 1037013157 /nfs/dbraw/zinc/01/31/57/1037013157.db2.gz MDOCHNQKQRPQBK-UHFFFAOYSA-N -1 0 338.791 3.772 20 0 EHADRM CC1(C)CCC(=CC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)CC1 ZINC000761407360 1037055229 /nfs/dbraw/zinc/05/52/29/1037055229.db2.gz QMMCVJWQGGVOTC-MRXNPFEDSA-N -1 0 333.403 3.984 20 0 EHADRM Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000176577998 1037063858 /nfs/dbraw/zinc/06/38/58/1037063858.db2.gz KRFMJSGMTJADSF-UHFFFAOYSA-N -1 0 331.315 3.520 20 0 EHADRM O=C(C=C(C1CC1)C1CC1)[N-]S(=O)(=O)c1ccccc1Cl ZINC000054428636 1037097046 /nfs/dbraw/zinc/09/70/46/1037097046.db2.gz OCFSWYPSDZEUJY-UHFFFAOYSA-N -1 0 325.817 3.732 20 0 EHADRM CSc1ccc(O[C@H](C)C(=O)Nc2cc(C(C)=O)ccc2[O-])cc1 ZINC000539750279 1037137076 /nfs/dbraw/zinc/13/70/76/1037137076.db2.gz SSWQOPZUFLCAGX-GFCCVEGCSA-N -1 0 345.420 3.723 20 0 EHADRM CCCCc1ccc(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)cc1 ZINC000590961942 1037142174 /nfs/dbraw/zinc/14/21/74/1037142174.db2.gz WAYVUBOQBJTFMR-UHFFFAOYSA-N -1 0 337.379 3.625 20 0 EHADRM C[C@H](CC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1)C1CCCCC1 ZINC000590960929 1037142915 /nfs/dbraw/zinc/14/29/15/1037142915.db2.gz DUYJSNMDSKOIDO-GFCCVEGCSA-N -1 0 329.400 3.575 20 0 EHADRM C[C@@H]1C[C@H](CC(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)CC(C)(C)C1 ZINC000590961040 1037143681 /nfs/dbraw/zinc/14/36/81/1037143681.db2.gz OCFMQZOOAXDMOJ-CHWSQXEVSA-N -1 0 343.427 3.821 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)NC2CCCCCC2)CC1 ZINC000666509726 1037160088 /nfs/dbraw/zinc/16/00/88/1037160088.db2.gz ASQLUAOWUFCODN-UHFFFAOYSA-N -1 0 344.455 3.997 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)s2)nn1[C@H](C)C1CC1 ZINC000542234266 1037188063 /nfs/dbraw/zinc/18/80/63/1037188063.db2.gz URJGRUDWBIWYLZ-SECBINFHSA-N -1 0 345.877 3.678 20 0 EHADRM CCCC1(CNC(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)CC1 ZINC000666536455 1037193297 /nfs/dbraw/zinc/19/32/97/1037193297.db2.gz ZKNDYIYQKIVVCT-UHFFFAOYSA-N -1 0 344.455 3.854 20 0 EHADRM CC[C@@H]1CCc2nc([N-]S(=O)(=O)c3ccc(C)cc3)sc2C1 ZINC000303195714 1037202952 /nfs/dbraw/zinc/20/29/52/1037202952.db2.gz XYFKDRVOUMROGZ-GFCCVEGCSA-N -1 0 336.482 3.767 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC000666566756 1037214244 /nfs/dbraw/zinc/21/42/44/1037214244.db2.gz UTLUBLXCUQGVLL-AWEZNQCLSA-N -1 0 326.396 3.596 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000089288173 1037258827 /nfs/dbraw/zinc/25/88/27/1037258827.db2.gz HYQBRFVDHDSIJG-NXEZZACHSA-N -1 0 334.224 3.569 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C1CC2(C1)CCCCC2)c1ccc(F)cc1 ZINC000659117503 1037288150 /nfs/dbraw/zinc/28/81/50/1037288150.db2.gz FUOKIAZQTBPHMQ-MRXNPFEDSA-N -1 0 333.403 3.818 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)C1CCC(C2CC2)CC1)c1ccccc1 ZINC000659129258 1037332550 /nfs/dbraw/zinc/33/25/50/1037332550.db2.gz JZGMFEJXFIGABS-SMRZUVACSA-N -1 0 329.440 3.781 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)C1CCC(C2CC2)CC1)c1ccccc1 ZINC000659129259 1037332779 /nfs/dbraw/zinc/33/27/79/1037332779.db2.gz JZGMFEJXFIGABS-WGDNJCCTSA-N -1 0 329.440 3.781 20 0 EHADRM O=C([O-])c1sc2ccsc2c1CNC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000659133835 1037339596 /nfs/dbraw/zinc/33/95/96/1037339596.db2.gz CODWJVJUKYWGTQ-IVZWLZJFSA-N -1 0 335.450 3.713 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)NC1CCC(c2ccccc2)CC1 ZINC000659140645 1037357598 /nfs/dbraw/zinc/35/75/98/1037357598.db2.gz RWRPILUJNOGTFN-UHFFFAOYSA-N -1 0 327.380 3.742 20 0 EHADRM CC[C@H](Cc1ccccc1)N(CC)C(=O)c1cc(C(=O)[O-])oc1C ZINC000659140458 1037358646 /nfs/dbraw/zinc/35/86/46/1037358646.db2.gz OYQABSNZZCVWHX-OAHLLOKOSA-N -1 0 329.396 3.770 20 0 EHADRM CC(C)Oc1ccccc1[C@H](C)NC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC000659139342 1037359268 /nfs/dbraw/zinc/35/92/68/1037359268.db2.gz BLCZBCXWCLSQCM-AWEZNQCLSA-N -1 0 345.439 3.686 20 0 EHADRM Cc1nc([C@H](C)NC(=O)C2CC3(C2)CCCCC3)sc1C(=O)[O-] ZINC000659143577 1037365847 /nfs/dbraw/zinc/36/58/47/1037365847.db2.gz RBKGSMAZHGKCIP-NSHDSACASA-N -1 0 336.457 3.687 20 0 EHADRM Cc1nc([C@H](C)NC(=O)c2cccc(C(C)C)c2)sc1C(=O)[O-] ZINC000659143397 1037366929 /nfs/dbraw/zinc/36/69/29/1037366929.db2.gz PMRXQHNMOHCPKQ-NSHDSACASA-N -1 0 332.425 3.764 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCCC[C@H]1CCc1ccccc1 ZINC000659146331 1037379782 /nfs/dbraw/zinc/37/97/82/1037379782.db2.gz CKZWPJCZFPVIHG-INIZCTEOSA-N -1 0 341.407 3.914 20 0 EHADRM CC1(C)CC[C@H]1C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000659157483 1037393229 /nfs/dbraw/zinc/39/32/29/1037393229.db2.gz QADWEVZAUWHCSC-DLBZAZTESA-N -1 0 325.408 3.908 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2cccc(C(C)(C)C)c2)n1 ZINC000659183888 1037436122 /nfs/dbraw/zinc/43/61/22/1037436122.db2.gz ZTOZPKFIDIIKAC-HNNXBMFYSA-N -1 0 343.427 3.859 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000237330794 1037440088 /nfs/dbraw/zinc/44/00/88/1037440088.db2.gz DLTHLWVWAOWCRH-LLVKDONJSA-N -1 0 341.860 3.921 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CCCc3sccc32)[C@@H]2CCCC[C@H]12 ZINC000659190147 1037444053 /nfs/dbraw/zinc/44/40/53/1037444053.db2.gz IRWGFMZHJHWAHP-DTZQCDIJSA-N -1 0 347.480 3.660 20 0 EHADRM COc1cccc(CCCN=c2nc(-c3ccccc3)[n-]s2)c1 ZINC000462822620 1037444919 /nfs/dbraw/zinc/44/49/19/1037444919.db2.gz PIMVLXUYOQFTQA-UHFFFAOYSA-N -1 0 325.437 3.680 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)C[C@H](C)c2ccccc2C)n1 ZINC000659186481 1037449288 /nfs/dbraw/zinc/44/92/88/1037449288.db2.gz IMXRNTNZTKZBOG-GOEBONIOSA-N -1 0 343.427 3.750 20 0 EHADRM CC(C)c1cccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)c1 ZINC000659193334 1037462476 /nfs/dbraw/zinc/46/24/76/1037462476.db2.gz PQPKOFMLXUWJML-FGTMMUONSA-N -1 0 329.440 3.916 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc(Cl)ccc2F)[C@@H]2CCCC[C@H]12 ZINC000659195843 1037464980 /nfs/dbraw/zinc/46/49/80/1037464980.db2.gz RGANADHOXCSCSC-LALPHHSUSA-N -1 0 339.794 3.585 20 0 EHADRM Cc1cccc2sc(C(=O)N[C@@](C)(CCF)C(=O)[O-])c(Cl)c21 ZINC000659216848 1037504787 /nfs/dbraw/zinc/50/47/87/1037504787.db2.gz TYUNORLFNQMUJD-HNNXBMFYSA-N -1 0 343.807 3.796 20 0 EHADRM COc1ccc(F)cc1[C@H](C)N=c1[n-]nc(-c2ccccc2)s1 ZINC000613548275 1037542636 /nfs/dbraw/zinc/54/26/36/1037542636.db2.gz WLKDSGCVONBNAC-NSHDSACASA-N -1 0 329.400 3.948 20 0 EHADRM C[C@H](CC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC000659231094 1037543252 /nfs/dbraw/zinc/54/32/52/1037543252.db2.gz JOIFTNDBROVTIL-QKCSRTOESA-N -1 0 343.345 3.521 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)CCc1ccc2ccccc2c1 ZINC000659235063 1037545849 /nfs/dbraw/zinc/54/58/49/1037545849.db2.gz IPOKFVBVVYMYSI-FXAWDEMLSA-N -1 0 325.408 3.532 20 0 EHADRM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)/C=C\c1ccc(C(=O)[O-])cc1 ZINC000493847566 1037665471 /nfs/dbraw/zinc/66/54/71/1037665471.db2.gz CPNUKAQAZHVLIN-DMTLFAOVSA-N -1 0 341.329 3.587 20 0 EHADRM CC(C)[C@H]1CCCC[C@@H]1NC(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000491755734 1037667716 /nfs/dbraw/zinc/66/77/16/1037667716.db2.gz GSDWTWNMOCUQLZ-NEPJUHHUSA-N -1 0 334.445 3.556 20 0 EHADRM C/C=C/c1ccc([N-]S(=O)(=O)c2cccnc2C(F)(F)F)cc1 ZINC000573638519 1037668354 /nfs/dbraw/zinc/66/83/54/1037668354.db2.gz IEXLGZWTBUPBHE-DUXPYHPUSA-N -1 0 342.342 3.934 20 0 EHADRM O=C(NN=c1ncc(F)c[n-]1)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000157609207 1037754156 /nfs/dbraw/zinc/75/41/56/1037754156.db2.gz YBXFSHXQZORHGI-UHFFFAOYSA-N -1 0 348.809 3.515 20 0 EHADRM Cc1ccc(-c2n[n-]c(=NC(C)(C)C)n2C[C@H]2CCCCO2)s1 ZINC000463084509 1037759454 /nfs/dbraw/zinc/75/94/54/1037759454.db2.gz AREBEPDHTRMADW-CYBMUJFWSA-N -1 0 334.489 3.516 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)/C=C\c1nc2ccccc2o1 ZINC000491973518 1037836526 /nfs/dbraw/zinc/83/65/26/1037836526.db2.gz QNMGKPQHEZIPAT-FPLPWBNLSA-N -1 0 336.347 3.795 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000669434876 1037844103 /nfs/dbraw/zinc/84/41/03/1037844103.db2.gz MCERLYQXYTXOFI-CYBMUJFWSA-N -1 0 344.436 3.794 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)N(C)[C@H]2CCCC[C@@H]2C)cc1 ZINC000475883872 1037850951 /nfs/dbraw/zinc/85/09/51/1037850951.db2.gz OZHLPZCVWPWGSA-FMKFIRIRSA-N -1 0 335.513 3.955 20 0 EHADRM Cc1ccc(CCCC(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000669436223 1037866232 /nfs/dbraw/zinc/86/62/32/1037866232.db2.gz FNCBWPUTEJWSOR-SFHVURJKSA-N -1 0 337.419 3.923 20 0 EHADRM c1ccc(-c2n[n-]c(=N[C@H]3CCOC4(CCCCC4)C3)s2)cc1 ZINC000532609642 1037878508 /nfs/dbraw/zinc/87/85/08/1037878508.db2.gz PNUVFUVHYPASFQ-HNNXBMFYSA-N -1 0 329.469 3.921 20 0 EHADRM O=C(N[C@H]1CCc2c1cccc2Cl)c1cc(F)c(F)c([O-])c1F ZINC000183476569 1037950422 /nfs/dbraw/zinc/95/04/22/1037950422.db2.gz GVCXXDCBXJLKKB-LBPRGKRZSA-N -1 0 341.716 3.880 20 0 EHADRM CC[C@H](c1n[n-]c(=NC(=O)NC[C@H](C)C2CC2)s1)c1ccccc1 ZINC000592505716 1038012216 /nfs/dbraw/zinc/01/22/16/1038012216.db2.gz BOVBIKKJNPLPFJ-WFASDCNBSA-N -1 0 344.484 3.670 20 0 EHADRM COc1ccc(OCc2noc(-c3cccc(Cl)c3[O-])n2)cc1 ZINC000761591713 1038032432 /nfs/dbraw/zinc/03/24/32/1038032432.db2.gz ZWORKDGFGZKRSD-UHFFFAOYSA-N -1 0 332.743 3.683 20 0 EHADRM CC(C)Oc1ccccc1CC(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000236666531 1038253609 /nfs/dbraw/zinc/25/36/09/1038253609.db2.gz VPCKOYIZLHOTIU-FMIVXFBMSA-N -1 0 339.391 3.753 20 0 EHADRM Cc1sc(/C=C\c2cc(Cl)c3c(c2)OCCO3)nc1C(=O)[O-] ZINC000339120987 1038346098 /nfs/dbraw/zinc/34/60/98/1038346098.db2.gz UUQXZOBQWNXHQP-IHWYPQMZSA-N -1 0 337.784 3.745 20 0 EHADRM CCCCc1n[n-]c(=NCc2ccc(-c3c(F)cccc3F)o2)o1 ZINC000538592866 1038405574 /nfs/dbraw/zinc/40/55/74/1038405574.db2.gz HGLLVUCZSXXNFO-UHFFFAOYSA-N -1 0 333.338 3.984 20 0 EHADRM COC1(C(F)(F)F)CCN(C(=O)c2ccc(C(C)C)cc2O)CC1 ZINC000416268979 1038447674 /nfs/dbraw/zinc/44/76/74/1038447674.db2.gz NJFGQBDFGUKKOQ-UHFFFAOYSA-N -1 0 345.361 3.699 20 0 EHADRM CCCc1nc(=NCc2ccc(Oc3ccc(F)cc3)nc2)s[n-]1 ZINC000461779753 1038605780 /nfs/dbraw/zinc/60/57/80/1038605780.db2.gz WDKNENYHHACUQU-UHFFFAOYSA-N -1 0 344.415 3.851 20 0 EHADRM C[C@@]1(CCNC(=O)c2cc(F)c(F)c([O-])c2F)CC1(Cl)Cl ZINC000836907833 1038632263 /nfs/dbraw/zinc/63/22/63/1038632263.db2.gz BLOYHLHDYSKGJC-GFCCVEGCSA-N -1 0 342.144 3.513 20 0 EHADRM CCCc1nc(=NCCc2csc(-c3ccccc3)n2)s[n-]1 ZINC000461937991 1038686028 /nfs/dbraw/zinc/68/60/28/1038686028.db2.gz XHMKKLXGOXKCTI-UHFFFAOYSA-N -1 0 330.482 3.691 20 0 EHADRM CN(C)c1ccc(NC(=O)c2cc(F)c(F)c([O-])c2F)cc1Cl ZINC000183445355 1038708452 /nfs/dbraw/zinc/70/84/52/1038708452.db2.gz KBPVOLWPTBRSNO-UHFFFAOYSA-N -1 0 344.720 3.781 20 0 EHADRM CN(C(=O)Nc1cc(Br)cc(C(=O)[O-])c1)C1CCCC1 ZINC000147360278 1038709510 /nfs/dbraw/zinc/70/95/10/1038709510.db2.gz BMRQFMWGYSDTIO-UHFFFAOYSA-N -1 0 341.205 3.554 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)cc1 ZINC000462100133 1038751392 /nfs/dbraw/zinc/75/13/92/1038751392.db2.gz GJCDMPRWHDZORW-UHFFFAOYSA-N -1 0 345.342 3.774 20 0 EHADRM O=C([O-])[C@H](CNC(=O)Cc1cccc(C(F)F)c1)C1CCCCC1 ZINC000910234944 1038778340 /nfs/dbraw/zinc/77/83/40/1038778340.db2.gz ZKVDFTXAAPFJOR-OAHLLOKOSA-N -1 0 339.382 3.564 20 0 EHADRM O=C([O-])C12CCC(C(=O)NCc3ccc4sccc4c3)(CC1)C2 ZINC000910245201 1038783602 /nfs/dbraw/zinc/78/36/02/1038783602.db2.gz YRTOSWGOVSOGKY-UHFFFAOYSA-N -1 0 329.421 3.553 20 0 EHADRM C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)C1 ZINC000910244895 1038784222 /nfs/dbraw/zinc/78/42/22/1038784222.db2.gz IJKPLVXSPWNUPF-BDJLRTHQSA-N -1 0 349.390 3.566 20 0 EHADRM CC(C)(C(=O)Nc1ccc(C(=O)[O-])c2ccccc12)C1CCOCC1 ZINC000910246318 1038786512 /nfs/dbraw/zinc/78/65/12/1038786512.db2.gz MTFALGRYYLFCNV-UHFFFAOYSA-N -1 0 341.407 3.929 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CC[C@@H]2CCc3ccccc32)[C@H]2CCC[C@H]21 ZINC000910249735 1038786644 /nfs/dbraw/zinc/78/66/44/1038786644.db2.gz WGPGUTSDUBQDGJ-KANFNMMFSA-N -1 0 341.451 3.598 20 0 EHADRM Cc1nc(C2CCN(C(=O)C[C@H]3C=CCCC3)CC2)sc1C(=O)[O-] ZINC000910353431 1038876405 /nfs/dbraw/zinc/87/64/05/1038876405.db2.gz AKPATASCKMGTFX-ZDUSSCGKSA-N -1 0 348.468 3.602 20 0 EHADRM CC(C)c1scnc1[N-]S(=O)(=O)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000641688128 1038887410 /nfs/dbraw/zinc/88/74/10/1038887410.db2.gz XHXNDXDFIOTUBA-STQMWFEESA-N -1 0 340.445 3.703 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)nc2)c1Cl ZINC000539398791 1038893347 /nfs/dbraw/zinc/89/33/47/1038893347.db2.gz RRBMCOFXMJKQBF-UHFFFAOYSA-N -1 0 340.832 3.631 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N2C[C@H](C)[C@@H]2c2ccccc2)s1 ZINC000479959130 1038926437 /nfs/dbraw/zinc/92/64/37/1038926437.db2.gz DFJAOEITNOHPGL-XJKSGUPXSA-N -1 0 344.484 3.918 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN(C(=O)CCc1ccccc1Cl)C2 ZINC000910501819 1038949599 /nfs/dbraw/zinc/94/95/99/1038949599.db2.gz VRPJASPEZDEZIF-UHFFFAOYSA-N -1 0 343.810 3.556 20 0 EHADRM CCCCN(C(=O)c1ccoc1CC(=O)[O-])[C@@H](C)c1ccccc1 ZINC000910536776 1038958411 /nfs/dbraw/zinc/95/84/11/1038958411.db2.gz XQZYCFNPTOLIQW-AWEZNQCLSA-N -1 0 329.396 3.910 20 0 EHADRM CCc1ccccc1S(=O)(=O)Nc1ccc(OC)c(OC(C)C)c1 ZINC000488218399 1038966964 /nfs/dbraw/zinc/96/69/64/1038966964.db2.gz GHTPRANUJLHSQP-UHFFFAOYSA-N -1 0 349.452 3.846 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)N[C@H](CC(=O)[O-])C3CCCC3)c2c1 ZINC000910570198 1038967663 /nfs/dbraw/zinc/96/76/63/1038967663.db2.gz XGNSHEAUPSKMQM-GOSISDBHSA-N -1 0 342.439 3.559 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)NC[C@H]1CCC(F)(F)C1)C1CCCCC1 ZINC000485365176 1038969952 /nfs/dbraw/zinc/96/99/52/1038969952.db2.gz JSKQQGKDYHMKON-LRDDRELGSA-N -1 0 331.403 3.599 20 0 EHADRM CCCc1nc(C)c([N-]S(=O)(=O)c2c(C)cc(F)cc2C)s1 ZINC000485392311 1039001507 /nfs/dbraw/zinc/00/15/07/1039001507.db2.gz UCKQVFCYNUGQPU-UHFFFAOYSA-N -1 0 342.461 3.961 20 0 EHADRM Cc1cc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)nn1C1CCCCC1 ZINC000910659810 1039008435 /nfs/dbraw/zinc/00/84/35/1039008435.db2.gz BOKOEJMSJWKGPP-UONOGXRCSA-N -1 0 333.432 3.526 20 0 EHADRM CCOC(=O)c1coc(=N[C@H](C)c2cc(F)c(Cl)cc2Cl)[n-]1 ZINC000418809915 1039009226 /nfs/dbraw/zinc/00/92/26/1039009226.db2.gz AQNAJFLURNKTSJ-SSDOTTSWSA-N -1 0 347.173 3.892 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1OC(F)F ZINC000488270242 1039025592 /nfs/dbraw/zinc/02/55/92/1039025592.db2.gz IDPCXRPGNQSJTI-UHFFFAOYSA-N -1 0 345.342 3.790 20 0 EHADRM Cc1cc(C)c(CC(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)s1 ZINC000910702451 1039027200 /nfs/dbraw/zinc/02/72/00/1039027200.db2.gz GGMOFRHRJUNVCA-UHFFFAOYSA-N -1 0 338.454 3.824 20 0 EHADRM CC[C@@H](CN(CC)C(=O)c1n[n-]c2ccccc2c1=O)c1ccccc1 ZINC000185150385 1039029677 /nfs/dbraw/zinc/02/96/77/1039029677.db2.gz SFAIWNXCGMKRIB-HNNXBMFYSA-N -1 0 349.434 3.579 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910734811 1039041132 /nfs/dbraw/zinc/04/11/32/1039041132.db2.gz XGPURNWYEUJCCN-SECBINFHSA-N -1 0 348.399 3.675 20 0 EHADRM Cc1ccc(CCC(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)s1 ZINC000910741157 1039049641 /nfs/dbraw/zinc/04/96/41/1039049641.db2.gz QSGASUFZTQNUPL-UHFFFAOYSA-N -1 0 336.438 3.660 20 0 EHADRM CC(C)(C)c1nc2cc(NCc3ccc(C(=O)[O-])cn3)ccc2o1 ZINC000905718085 1039050732 /nfs/dbraw/zinc/05/07/32/1039050732.db2.gz DSALZJSEKCHNAW-UHFFFAOYSA-N -1 0 325.368 3.831 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)[C@H]2CCC=CCCC2)nc1C(=O)[O-] ZINC000910718823 1039054115 /nfs/dbraw/zinc/05/41/15/1039054115.db2.gz CAPMUXNAIPLEOU-UONOGXRCSA-N -1 0 348.468 3.950 20 0 EHADRM CCc1onc(C)c1CNCc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000905755386 1039088352 /nfs/dbraw/zinc/08/83/52/1039088352.db2.gz JMQCMSLHZMSGSW-UHFFFAOYSA-N -1 0 340.379 3.793 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)NCc2ncc(C(=O)[O-])s2)cc1 ZINC000910820865 1039096677 /nfs/dbraw/zinc/09/66/77/1039096677.db2.gz VLPYJLPPBMWVDQ-LBPRGKRZSA-N -1 0 346.452 3.775 20 0 EHADRM Cc1oc(-c2ccccc2)c(C(=O)NC2CC(CC(=O)[O-])C2)c1C ZINC000910808222 1039105077 /nfs/dbraw/zinc/10/50/77/1039105077.db2.gz YBUORIOWDGASOJ-UHFFFAOYSA-N -1 0 327.380 3.547 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)c1cccc(OC)c1 ZINC000910952733 1039155111 /nfs/dbraw/zinc/15/51/11/1039155111.db2.gz DQINKWIVGMMSAD-GFCCVEGCSA-N -1 0 327.380 3.698 20 0 EHADRM CC1(C)CN(C(=O)Cc2ccccc2C(=O)[O-])c2cccc(Cl)c21 ZINC000554279619 1039155232 /nfs/dbraw/zinc/15/52/32/1039155232.db2.gz OGQOTHRTFNHBCB-UHFFFAOYSA-N -1 0 343.810 3.905 20 0 EHADRM CCN(C(=O)c1cccc([C@@H]2CCOC2)c1)c1cccc(C(=O)[O-])c1 ZINC000910968067 1039171718 /nfs/dbraw/zinc/17/17/18/1039171718.db2.gz QUXCABNATIIJBA-QGZVFWFLSA-N -1 0 339.391 3.555 20 0 EHADRM Cc1c(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])sc2cccc(F)c12 ZINC000261663907 1039172093 /nfs/dbraw/zinc/17/20/93/1039172093.db2.gz KWCDAKZLIRMMNN-PGUXBMHVSA-N -1 0 347.411 3.674 20 0 EHADRM O=S(=O)(CCCF)[N-][C@@H](c1cccc2ccccc21)C(F)(F)F ZINC000512448552 1039183230 /nfs/dbraw/zinc/18/32/30/1039183230.db2.gz UUUFUTBOSUAZMJ-AWEZNQCLSA-N -1 0 349.349 3.722 20 0 EHADRM CC(C)(C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)CC1)C1CCCCC1 ZINC000911023238 1039189148 /nfs/dbraw/zinc/18/91/48/1039189148.db2.gz ZUVQFABVQJGZCF-UHFFFAOYSA-N -1 0 349.393 3.849 20 0 EHADRM c1nc(-c2ccncc2)sc1CN=c1[n-]nc(C2CCCCC2)o1 ZINC000554319827 1039205707 /nfs/dbraw/zinc/20/57/07/1039205707.db2.gz NURKMEKFXSEPHN-UHFFFAOYSA-N -1 0 341.440 3.670 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCCCCC(=O)[O-])c1 ZINC000236738657 1039250484 /nfs/dbraw/zinc/25/04/84/1039250484.db2.gz JUIIGCHOOPZNOK-OAHLLOKOSA-N -1 0 335.444 3.647 20 0 EHADRM CC(C)(CC(=O)Nc1ccccc1OCCc1ccccc1)C(=O)[O-] ZINC000236799474 1039258769 /nfs/dbraw/zinc/25/87/69/1039258769.db2.gz PNRUBBXWEQQMIN-UHFFFAOYSA-N -1 0 341.407 3.748 20 0 EHADRM CCN(CC)c1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1 ZINC000911212733 1039285418 /nfs/dbraw/zinc/28/54/18/1039285418.db2.gz OFDHXJYCHZWBIY-UHFFFAOYSA-N -1 0 344.455 3.897 20 0 EHADRM COc1ccc2c(c1)N(Cc1nc(=O)c3sccc3[n-]1)CCCC2 ZINC000363989351 1039290576 /nfs/dbraw/zinc/29/05/76/1039290576.db2.gz URSLFGNHAAJVTG-UHFFFAOYSA-N -1 0 341.436 3.748 20 0 EHADRM COc1nc2ccccc2cc1/C=C/c1nc(C(=O)[O-])c(C)s1 ZINC000554390517 1039301850 /nfs/dbraw/zinc/30/18/50/1039301850.db2.gz QSIFFMLCMPXTKZ-BQYQJAHWSA-N -1 0 326.377 3.877 20 0 EHADRM CCc1cccc(C)c1N=c1[n-]nc(SCc2cnns2)s1 ZINC000554398048 1039308778 /nfs/dbraw/zinc/30/87/78/1039308778.db2.gz OCWHLDWAEOGFAX-UHFFFAOYSA-N -1 0 349.510 3.718 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(C(=O)C(C)(C)C)cc2)oc1C(=O)[O-] ZINC000911388505 1039340607 /nfs/dbraw/zinc/34/06/07/1039340607.db2.gz BEBURNUEXYIWSN-UHFFFAOYSA-N -1 0 329.352 3.767 20 0 EHADRM O=C([O-])c1cnc(N2CCC[C@H]2c2ccccc2C(F)(F)F)nc1 ZINC000906151614 1039345187 /nfs/dbraw/zinc/34/51/87/1039345187.db2.gz FTFLTGJCORXBNN-ZDUSSCGKSA-N -1 0 337.301 3.535 20 0 EHADRM Cc1cc(NC(=O)CCc2ccccc2C(=O)[O-])c(C)c(C)c1O ZINC000911426124 1039358129 /nfs/dbraw/zinc/35/81/29/1039358129.db2.gz CVGMREALOGHMGV-UHFFFAOYSA-N -1 0 327.380 3.587 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccc(-c3ccco3)cc2F)C1 ZINC000911443013 1039366032 /nfs/dbraw/zinc/36/60/32/1039366032.db2.gz ZJQRQMJPNFVPGJ-QWHCGFSZSA-N -1 0 331.343 3.915 20 0 EHADRM Cc1ccc(CNC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])c(C)c1 ZINC000237558394 1039387802 /nfs/dbraw/zinc/38/78/02/1039387802.db2.gz FYFSKEDXSLSNRG-AWEZNQCLSA-N -1 0 343.448 3.799 20 0 EHADRM Cc1ccc(-c2noc(=N[C@@H](C)[C@@H]3OCCc4sccc43)[n-]2)cc1 ZINC000488769154 1039388779 /nfs/dbraw/zinc/38/87/79/1039388779.db2.gz YJPOOVRPZZWWQY-LRDDRELGSA-N -1 0 341.436 3.643 20 0 EHADRM COc1nc(C(F)(F)F)ccc1-c1cccc2c1C[C@H]1[C@@H]2[C@H]1C(=O)[O-] ZINC000906250024 1039410997 /nfs/dbraw/zinc/41/09/97/1039410997.db2.gz MDDSLKDJFAEYEX-CFVMTHIKSA-N -1 0 349.308 3.746 20 0 EHADRM C[C@]1(C(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)CC=CCC1 ZINC000911597480 1039426789 /nfs/dbraw/zinc/42/67/89/1039426789.db2.gz GDBYGJDNRISJGC-FQEVSTJZSA-N -1 0 342.439 3.534 20 0 EHADRM CCCCN(C(=O)N(C)CC(F)(F)F)c1ccccc1C(=O)[O-] ZINC000554532307 1039437289 /nfs/dbraw/zinc/43/72/89/1039437289.db2.gz YJIVJLOLGSSFDG-UHFFFAOYSA-N -1 0 332.322 3.605 20 0 EHADRM Cc1cc(F)c(NC(=O)[C@H](c2ccccc2)C2CC2)cc1C(=O)[O-] ZINC000911690069 1039463278 /nfs/dbraw/zinc/46/32/78/1039463278.db2.gz TWHDMUFONYVFKQ-QGZVFWFLSA-N -1 0 327.355 3.965 20 0 EHADRM CC(C)Oc1c(NC(=O)c2cc3c([nH]2)CCCC3)cccc1C(=O)[O-] ZINC000911738681 1039481429 /nfs/dbraw/zinc/48/14/29/1039481429.db2.gz WFUQCKWCGLIMIO-UHFFFAOYSA-N -1 0 342.395 3.631 20 0 EHADRM COc1ccc(C2(CN=c3[n-]nc(C(F)(F)F)s3)CCC2)cc1 ZINC000480368170 1039488743 /nfs/dbraw/zinc/48/87/43/1039488743.db2.gz CPUZTHWXQXKOJW-UHFFFAOYSA-N -1 0 343.374 3.521 20 0 EHADRM O=C([O-])CCCCNC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000238177822 1039504530 /nfs/dbraw/zinc/50/45/30/1039504530.db2.gz XHEJNZZLZHEGDB-SFHVURJKSA-N -1 0 343.448 3.891 20 0 EHADRM CC(C)(C)c1n[n-]c(=NCc2ccc(-c3cccc(F)c3F)o2)o1 ZINC000478575165 1039547353 /nfs/dbraw/zinc/54/73/53/1039547353.db2.gz WHRPEEVZDMCDET-UHFFFAOYSA-N -1 0 333.338 3.939 20 0 EHADRM CCCCCN([C@H](C)CCC)S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000552823785 1039551373 /nfs/dbraw/zinc/55/13/73/1039551373.db2.gz ISSDINOQOOLYTJ-GFCCVEGCSA-N -1 0 347.502 3.816 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ncc(C3CCCCC3)s2)cn1 ZINC000554676898 1039593429 /nfs/dbraw/zinc/59/34/29/1039593429.db2.gz PVPSOEHWEYYZDA-UHFFFAOYSA-N -1 0 337.470 3.695 20 0 EHADRM O=S(=O)([N-][C@H](C1CC1)C(F)(F)F)c1cc(Cl)ccc1Cl ZINC000554708031 1039616357 /nfs/dbraw/zinc/61/63/57/1039616357.db2.gz WIQXMGCJKCROHZ-SNVBAGLBSA-N -1 0 348.173 3.613 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCC(=O)CC12CCC2 ZINC000911999253 1039628467 /nfs/dbraw/zinc/62/84/67/1039628467.db2.gz QHAVFBJJJRRVPM-UHFFFAOYSA-N -1 0 343.810 3.927 20 0 EHADRM CN(CC(C)(C)C)C(=O)N(CCC(=O)[O-])Cc1cccc(Cl)c1 ZINC000554703521 1039628931 /nfs/dbraw/zinc/62/89/31/1039628931.db2.gz JNUZSZNSAZYPFP-UHFFFAOYSA-N -1 0 340.851 3.715 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1occc1-c1ccccc1)Cc1ccccc1 ZINC000485946598 1039710068 /nfs/dbraw/zinc/71/00/68/1039710068.db2.gz LAVKLNKQMNQYJH-QGZVFWFLSA-N -1 0 349.386 3.620 20 0 EHADRM Cc1cc(NC(=O)CCCOCc2ccccc2)cc(C(=O)[O-])c1C ZINC000485936363 1039717395 /nfs/dbraw/zinc/71/73/95/1039717395.db2.gz QSZRZEWVIZLBOB-UHFFFAOYSA-N -1 0 341.407 3.937 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1cccc(C)c1Cl ZINC000549729574 1039732002 /nfs/dbraw/zinc/73/20/02/1039732002.db2.gz NOXYLMTXAOHRIJ-UHFFFAOYSA-N -1 0 342.786 3.700 20 0 EHADRM COc1ccc(/C=C/c2nc(C(=O)[O-])c(Br)s2)cc1 ZINC000486049301 1039802599 /nfs/dbraw/zinc/80/25/99/1039802599.db2.gz BPWRNNADXTVZID-QPJJXVBHSA-N -1 0 340.198 3.783 20 0 EHADRM C[C@H](N=c1nc(C(F)(F)F)[n-]s1)c1c(F)cccc1Cl ZINC000553156059 1039837680 /nfs/dbraw/zinc/83/76/80/1039837680.db2.gz OUTLCBVVUOCZIT-YFKPBYRVSA-N -1 0 325.718 3.944 20 0 EHADRM CC(/C=C/c1cc(=O)n2[nH]cnc2n1)=C\c1cccc(C(F)(F)F)c1 ZINC000486143581 1039918381 /nfs/dbraw/zinc/91/83/81/1039918381.db2.gz HEBNGICFPFLDIF-LCAICKDSSA-N -1 0 346.312 3.553 20 0 EHADRM CCCN=c1[n-]nc(SCC[C@@H](C)OCc2ccccc2)s1 ZINC000473409584 1039958616 /nfs/dbraw/zinc/95/86/16/1039958616.db2.gz RWDSXRLKMBSYOC-CYBMUJFWSA-N -1 0 337.514 3.869 20 0 EHADRM O=C([O-])C[C@H](NCc1csc(C2CC2)n1)c1ccc(F)cc1F ZINC000417557677 1039997882 /nfs/dbraw/zinc/99/78/82/1039997882.db2.gz CHFYFZRDBUYLGK-AWEZNQCLSA-N -1 0 338.379 3.604 20 0 EHADRM COc1ccc(CNc2cc(C(=O)[O-])ccc2OC(C)C)cc1OC ZINC000417568844 1040019065 /nfs/dbraw/zinc/01/90/65/1040019065.db2.gz POPXWCBFYSLLEV-UHFFFAOYSA-N -1 0 345.395 3.801 20 0 EHADRM CN=c1[n-]nc(SCc2cc(F)c(C(F)(F)F)cc2F)s1 ZINC000553376931 1040022443 /nfs/dbraw/zinc/02/24/43/1040022443.db2.gz IGNOTLABASNPNF-UHFFFAOYSA-N -1 0 341.330 3.591 20 0 EHADRM Cc1noc([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)c1C ZINC000489496822 1040024000 /nfs/dbraw/zinc/02/40/00/1040024000.db2.gz LYFMUBALQADBDB-UHFFFAOYSA-N -1 0 336.800 3.899 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)NCc3cccc(C(C)C)c3)cc2=O)cc1 ZINC000479187428 1040038020 /nfs/dbraw/zinc/03/80/20/1040038020.db2.gz OEUVNTTUWBPCBP-UHFFFAOYSA-N -1 0 349.434 3.527 20 0 EHADRM COc1cc2c(cc1CNc1ccc([C@H](C)CC(=O)[O-])cc1)OCO2 ZINC000417605336 1040057990 /nfs/dbraw/zinc/05/79/90/1040057990.db2.gz AWIKUEHQGCWAPT-GFCCVEGCSA-N -1 0 343.379 3.614 20 0 EHADRM CCCOc1ccc(C(=O)[O-])cc1NCc1cnc(C(C)(C)C)nc1 ZINC000417610823 1040061961 /nfs/dbraw/zinc/06/19/61/1040061961.db2.gz NYGDMVDFRRDBSW-UHFFFAOYSA-N -1 0 343.427 3.873 20 0 EHADRM CCCOc1ccc(C(=O)[O-])cc1NCc1ccc2c(c1)ncn2C ZINC000417615878 1040085595 /nfs/dbraw/zinc/08/55/95/1040085595.db2.gz YANQKVJPRNKBFR-UHFFFAOYSA-N -1 0 339.395 3.672 20 0 EHADRM COc1cc(C)c(CNc2ccc([C@@H](C)CC(=O)[O-])cc2)c(C)n1 ZINC000417615470 1040085993 /nfs/dbraw/zinc/08/59/93/1040085993.db2.gz XQNUSXIVAQOXCC-LBPRGKRZSA-N -1 0 328.412 3.897 20 0 EHADRM COc1cc(C)c(CNc2ccc(S[C@@H](C)C(=O)[O-])cc2)c(C)n1 ZINC000417646484 1040109455 /nfs/dbraw/zinc/10/94/55/1040109455.db2.gz FQDJOAXTBOVBKC-ZDUSSCGKSA-N -1 0 346.452 3.884 20 0 EHADRM CC(C)c1cnc(CNCc2cc(F)c(C(=O)[O-])c(F)c2)s1 ZINC000417650062 1040112062 /nfs/dbraw/zinc/11/20/62/1040112062.db2.gz TVKZKZPTIRLYEP-UHFFFAOYSA-N -1 0 326.368 3.533 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(C3CC3)oc2C2CC2)C1 ZINC000907660145 1040120568 /nfs/dbraw/zinc/12/05/68/1040120568.db2.gz VUAZPMUDKQCVKP-LJQANCHMSA-N -1 0 331.412 3.607 20 0 EHADRM CCn1nc(C)c(CNc2ccc(S[C@@H](C)C(=O)[O-])cc2)c1C ZINC000417660475 1040124542 /nfs/dbraw/zinc/12/45/42/1040124542.db2.gz QKCKYQWKXRAWMO-ZDUSSCGKSA-N -1 0 333.457 3.697 20 0 EHADRM CC1=C(C)C[C@](C)(C(=O)N2CCc3cccc(C(=O)[O-])c3C2)CC1 ZINC000907687680 1040128991 /nfs/dbraw/zinc/12/89/91/1040128991.db2.gz FTMWWKOWDWYPLG-HXUWFJFHSA-N -1 0 327.424 3.796 20 0 EHADRM FC(F)(F)c1nc(=N[C@H](C[C@H]2CCOC2)c2ccccc2)s[n-]1 ZINC000553505558 1040132952 /nfs/dbraw/zinc/13/29/52/1040132952.db2.gz ZGTAHWSPHMPMPB-ZYHUDNBSSA-N -1 0 343.374 3.559 20 0 EHADRM Cc1cccc2oc(C(=O)N3CC[C@H](C(=O)[O-])[C@@H]4CCCC[C@H]43)cc21 ZINC000907702812 1040134071 /nfs/dbraw/zinc/13/40/71/1040134071.db2.gz FEYXEINSXJEVEE-OFQRWUPVSA-N -1 0 341.407 3.847 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc(F)cc3ccoc32)[C@H]2CCCC[C@@H]12 ZINC000907704482 1040136329 /nfs/dbraw/zinc/13/63/29/1040136329.db2.gz OUXFDBAPGNYGGW-LZWOXQAQSA-N -1 0 345.370 3.677 20 0 EHADRM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000489727246 1040160499 /nfs/dbraw/zinc/16/04/99/1040160499.db2.gz VCYNBZKSRZHTSU-VXGBXAGGSA-N -1 0 349.356 3.845 20 0 EHADRM Cc1ccccc1NC(=O)N[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000584876443 1040180428 /nfs/dbraw/zinc/18/04/28/1040180428.db2.gz VMWRSALHRXYHQI-IBGZPJMESA-N -1 0 348.402 3.966 20 0 EHADRM CC(C)C[C@H](C(=O)N[C@H](C)[C@H](C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000659153391 1040198598 /nfs/dbraw/zinc/19/85/98/1040198598.db2.gz KOIRGAVNXYTIOV-ZOWXZIJZSA-N -1 0 325.836 3.695 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]c1ccn(-c2ccccc2Cl)n1 ZINC000486512265 1040200316 /nfs/dbraw/zinc/20/03/16/1040200316.db2.gz YGRKPMKKGOTVMG-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM Cc1csc(-c2cccc(NC(=O)NC(C)(C)CCC(=O)[O-])c2)n1 ZINC000417754463 1040215299 /nfs/dbraw/zinc/21/52/99/1040215299.db2.gz KOXAZYNLORZUKR-UHFFFAOYSA-N -1 0 347.440 3.883 20 0 EHADRM FC(F)c1n[n-]c(=NCc2ccc(OC3CCCC3)cc2)s1 ZINC000553592411 1040222905 /nfs/dbraw/zinc/22/29/05/1040222905.db2.gz GRYUOPUQFIDMMM-UHFFFAOYSA-N -1 0 325.384 3.831 20 0 EHADRM CC(C)[C@H](C(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@H]12)c1cccc(Cl)c1 ZINC000907942790 1040240403 /nfs/dbraw/zinc/24/04/03/1040240403.db2.gz ZXXGOJKEZAAYEK-GWCDLVAZSA-N -1 0 349.858 3.695 20 0 EHADRM CCCc1ccc(CCCC(=O)N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@H]23)cc1 ZINC000907946504 1040240593 /nfs/dbraw/zinc/24/05/93/1040240593.db2.gz SEPLUGRCUFKRQP-ZSYWTGECSA-N -1 0 343.467 3.577 20 0 EHADRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(C2(C)CCCC2)on1 ZINC000432953312 1040265524 /nfs/dbraw/zinc/26/55/24/1040265524.db2.gz HFDGFGZQDVHEQD-UHFFFAOYSA-N -1 0 338.404 3.755 20 0 EHADRM CCc1ccc(CC)c([N-]S(=O)(=O)c2c(OC)cccc2OC)c1 ZINC000479489132 1040295623 /nfs/dbraw/zinc/29/56/23/1040295623.db2.gz LHIXPTMZBBCTDQ-UHFFFAOYSA-N -1 0 349.452 3.629 20 0 EHADRM O=C([O-])Cc1ccc(CNC(=O)c2cc(C3CC3)oc2C2CC2)cc1 ZINC000899296957 1040298739 /nfs/dbraw/zinc/29/87/39/1040298739.db2.gz CZWCYWAYTXJWAF-UHFFFAOYSA-N -1 0 339.391 3.592 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cn2)c1 ZINC000553668570 1040301681 /nfs/dbraw/zinc/30/16/81/1040301681.db2.gz VDZDPLBDDUUTRR-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM CSc1ccc(C)c([N-]S(=O)(=O)c2c(C)cccc2F)c1 ZINC000479500081 1040306254 /nfs/dbraw/zinc/30/62/54/1040306254.db2.gz PIIJJLNMWCHHQN-UHFFFAOYSA-N -1 0 325.430 3.965 20 0 EHADRM O=C([O-])c1ccc2cc(CCNC(=O)C[C@H]3CC=CCC3)oc2c1 ZINC000899303721 1040307311 /nfs/dbraw/zinc/30/73/11/1040307311.db2.gz FSXPBMMAABLHOF-ZDUSSCGKSA-N -1 0 327.380 3.536 20 0 EHADRM CSc1c(F)cccc1NC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000899312918 1040312883 /nfs/dbraw/zinc/31/28/83/1040312883.db2.gz BXGSAWPYOINFAE-NSHDSACASA-N -1 0 340.420 3.799 20 0 EHADRM O=C([O-])C1(CC(=O)N2CC=C(C(F)(F)F)CC2)CCCCCC1 ZINC000323147970 1040326613 /nfs/dbraw/zinc/32/66/13/1040326613.db2.gz DQDGMGMEYBOCSX-UHFFFAOYSA-N -1 0 333.350 3.523 20 0 EHADRM COc1ccc(CC(=O)Nc2cc(Cl)c([O-])cc2F)cc1F ZINC000553690618 1040336489 /nfs/dbraw/zinc/33/64/89/1040336489.db2.gz HEGTXLZQHBCDTA-UHFFFAOYSA-N -1 0 327.714 3.514 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2c(C)cccc2F)cc1OC(F)F ZINC000479521128 1040341360 /nfs/dbraw/zinc/34/13/60/1040341360.db2.gz ZXIQNHDQQYQOIR-UHFFFAOYSA-N -1 0 345.342 3.845 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@@H]1CCOC2(CCCC2)C1 ZINC000908188226 1040341883 /nfs/dbraw/zinc/34/18/83/1040341883.db2.gz RAXYZDIGPSIPFU-SNVBAGLBSA-N -1 0 327.783 3.863 20 0 EHADRM COc1cc([C@H](C)NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc2ccccc21 ZINC000908222894 1040348012 /nfs/dbraw/zinc/34/80/12/1040348012.db2.gz ZYWZHXKICGMTJP-CFVMTHIKSA-N -1 0 341.407 3.527 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(C(=O)N[C@@H](C)CCC(=O)[O-])cc1F ZINC000237534087 1040367079 /nfs/dbraw/zinc/36/70/79/1040367079.db2.gz ASXQVRHGSVWUKP-LBPRGKRZSA-N -1 0 347.361 3.923 20 0 EHADRM Cc1occ(C(F)(F)F)c1C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC000908288421 1040383171 /nfs/dbraw/zinc/38/31/71/1040383171.db2.gz DKWPQYYOVBEOFY-NSHDSACASA-N -1 0 347.333 3.618 20 0 EHADRM O=C([O-])[C@H](CNC(=O)C1CCC(C(F)(F)F)CC1)CC1CCCC1 ZINC000908293160 1040391528 /nfs/dbraw/zinc/39/15/28/1040391528.db2.gz RYXRTIHOPDQYGM-MOKVOYLWSA-N -1 0 349.393 3.752 20 0 EHADRM Cc1c(C(=O)NCCCCC2(C(=O)[O-])CCC2)cnc2ccccc12 ZINC000908339248 1040398955 /nfs/dbraw/zinc/39/89/55/1040398955.db2.gz MLURILSCYCOAQZ-UHFFFAOYSA-N -1 0 340.423 3.698 20 0 EHADRM Fc1cc(Cl)cc(CN=c2[n-]nc(CCc3ccccc3)o2)c1 ZINC000486749655 1040404739 /nfs/dbraw/zinc/40/47/39/1040404739.db2.gz PHFONVWPYIKKFH-UHFFFAOYSA-N -1 0 331.778 3.681 20 0 EHADRM CSc1ccc(CCC(=O)NCCCCC2(C(=O)[O-])CCC2)cc1 ZINC000908329417 1040410677 /nfs/dbraw/zinc/41/06/77/1040410677.db2.gz RJCWISPPWVZQAK-UHFFFAOYSA-N -1 0 349.496 3.883 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1 ZINC000908367112 1040415008 /nfs/dbraw/zinc/41/50/08/1040415008.db2.gz MSDRAZQTNVUOQJ-CMPLNLGQSA-N -1 0 335.400 3.722 20 0 EHADRM CC(C)C[C@H](C)CC(=O)Nc1ccc(-n2[n-]c(C3CC3)cc2=O)nc1 ZINC000912868223 1040422311 /nfs/dbraw/zinc/42/23/11/1040422311.db2.gz YRLJBMVKSOQZMB-ZDUSSCGKSA-N -1 0 342.443 3.595 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c(F)c1 ZINC000479593933 1040433680 /nfs/dbraw/zinc/43/36/80/1040433680.db2.gz NGHHQRBROQCOHO-NEPJUHHUSA-N -1 0 333.746 3.920 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1CC=CCC1)c1ccc(C(F)(F)F)cc1 ZINC000908408095 1040434822 /nfs/dbraw/zinc/43/48/22/1040434822.db2.gz PDLSPQZLKPKAQU-JSGCOSHPSA-N -1 0 341.329 3.694 20 0 EHADRM O=C(N=c1cc(C(F)(F)F)[n-][nH]1)c1cc2cc(Cl)ccc2o1 ZINC000479628684 1040442237 /nfs/dbraw/zinc/44/22/37/1040442237.db2.gz JXYWSDNCJVWVLY-UHFFFAOYSA-N -1 0 329.665 3.502 20 0 EHADRM CCCCN(C(=O)c1ccc2oc(=O)nc-2[n-]1)[C@H](C)c1ccc(C)o1 ZINC000667527366 1040451800 /nfs/dbraw/zinc/45/18/00/1040451800.db2.gz JEOYFFWMVPQRLY-GFCCVEGCSA-N -1 0 343.383 3.833 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000899424286 1040489043 /nfs/dbraw/zinc/48/90/43/1040489043.db2.gz DZEQPHUDYMBKCO-XPTSAGLGSA-N -1 0 333.737 3.850 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)N=c2nc(SC)[n-]s2)c1 ZINC000433027305 1040492187 /nfs/dbraw/zinc/49/21/87/1040492187.db2.gz UTIKOMQKEYEFBL-SECBINFHSA-N -1 0 338.458 3.503 20 0 EHADRM COc1c(NC(=O)CCCc2ccc(C)cc2)cccc1C(=O)[O-] ZINC000908508397 1040497360 /nfs/dbraw/zinc/49/73/60/1040497360.db2.gz UVXGWPHKNFZDBQ-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM COc1c(NC(=O)COc2cccc(C(C)C)c2)cccc1C(=O)[O-] ZINC000908508354 1040497928 /nfs/dbraw/zinc/49/79/28/1040497928.db2.gz SGJACHNDHFFMJY-UHFFFAOYSA-N -1 0 343.379 3.534 20 0 EHADRM Cc1cc(C(=O)N=c2[n-]nc(/C=C\c3ccco3)s2)cc(C)c1F ZINC000490344718 1040507522 /nfs/dbraw/zinc/50/75/22/1040507522.db2.gz OTYALOGHFZSISX-WAYWQWQTSA-N -1 0 343.383 3.732 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)Nc2nc(CC(=O)[O-])cs2)c1 ZINC000908583828 1040513651 /nfs/dbraw/zinc/51/36/51/1040513651.db2.gz YQGJVDLCBQYRAI-LBPRGKRZSA-N -1 0 346.452 3.711 20 0 EHADRM CC(C)=CC[C@H](NC(=O)Nc1cccc(C2CCOCC2)c1)C(=O)[O-] ZINC000908628967 1040537865 /nfs/dbraw/zinc/53/78/65/1040537865.db2.gz OZUSHKHDSZSOGH-KRWDZBQOSA-N -1 0 346.427 3.512 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)Nc1cccc(COC(C)(C)C)c1)C1CCC1 ZINC000908640625 1040546153 /nfs/dbraw/zinc/54/61/53/1040546153.db2.gz YYZGWWQHMYUMIN-ZDUSSCGKSA-N -1 0 348.443 3.861 20 0 EHADRM CCC[C@]1(C(=O)[O-])CCCN1C(=O)Nc1cccc(-c2ncco2)c1 ZINC000908621022 1040548942 /nfs/dbraw/zinc/54/89/42/1040548942.db2.gz HWEATFFIBDXACS-GOSISDBHSA-N -1 0 343.383 3.593 20 0 EHADRM Cc1cccc(CC(=O)N[C@H](CC(=O)[O-])c2cccs2)c1Cl ZINC000908642711 1040550173 /nfs/dbraw/zinc/55/01/73/1040550173.db2.gz SEXCOXYXCFBDQY-GFCCVEGCSA-N -1 0 337.828 3.585 20 0 EHADRM CCc1ccc(C)nc1NC(=O)N(CC(=O)[O-])[C@H](C)c1ccccc1 ZINC000908643637 1040550297 /nfs/dbraw/zinc/55/02/97/1040550297.db2.gz JEYHNAPALKORNQ-CQSZACIVSA-N -1 0 341.411 3.632 20 0 EHADRM Cc1cccc(CC(=O)N[C@@H](CC(=O)[O-])c2cccs2)c1Cl ZINC000908642712 1040550422 /nfs/dbraw/zinc/55/04/22/1040550422.db2.gz SEXCOXYXCFBDQY-LBPRGKRZSA-N -1 0 337.828 3.585 20 0 EHADRM Cc1cc(C)nc(NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)c1 ZINC000908644968 1040551255 /nfs/dbraw/zinc/55/12/55/1040551255.db2.gz RBIXOAXCYRJRKA-HOTGVXAUSA-N -1 0 339.395 3.521 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1scnc1C1CCCC1 ZINC000908646073 1040552901 /nfs/dbraw/zinc/55/29/01/1040552901.db2.gz GSFIUAWCJKNHQH-UHFFFAOYSA-N -1 0 342.420 3.702 20 0 EHADRM CC1(C)CC[C@H](CC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)OC1 ZINC000908684274 1040572417 /nfs/dbraw/zinc/57/24/17/1040572417.db2.gz RYOCGQUCFLNYRG-LLVKDONJSA-N -1 0 325.792 3.572 20 0 EHADRM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1cccc(O)c1Br ZINC000908712154 1040606654 /nfs/dbraw/zinc/60/66/54/1040606654.db2.gz AMGWOCDBDTUMKY-GWCFXTLKSA-N -1 0 342.233 3.689 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N1CC2(CCCC2)c2c1cccc2F ZINC000908772955 1040629888 /nfs/dbraw/zinc/62/98/88/1040629888.db2.gz ZFLYYAILZYMVIM-UHFFFAOYSA-N -1 0 343.354 3.518 20 0 EHADRM CC(C)Oc1ccc([C@@H](C)NC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1 ZINC000908755739 1040635923 /nfs/dbraw/zinc/63/59/23/1040635923.db2.gz ZFNPWBAAQAIRKG-WPUWVODUSA-N -1 0 345.439 3.686 20 0 EHADRM Clc1cc(Cl)cc(-c2n[n-]c(=N[C@H]3CCCOC3)s2)c1 ZINC000487040208 1040668446 /nfs/dbraw/zinc/66/84/46/1040668446.db2.gz CTKGFDYAILKBOY-NSHDSACASA-N -1 0 330.240 3.525 20 0 EHADRM C[C@H](C(=O)N(CCC(=O)[O-])CC1CC1)c1ccc(C(F)(F)F)cc1 ZINC000908877052 1040698823 /nfs/dbraw/zinc/69/88/23/1040698823.db2.gz APDJWEWTJGMICA-NSHDSACASA-N -1 0 343.345 3.522 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1cc(-c2ccccc2F)on1 ZINC000433124481 1040789332 /nfs/dbraw/zinc/78/93/32/1040789332.db2.gz CTHOXWJCZBMCCD-UHFFFAOYSA-N -1 0 338.385 3.651 20 0 EHADRM Cc1nc(-c2ccc(C(=O)N[C@](C)(CC(=O)[O-])C(C)C)cc2)cs1 ZINC000909688609 1040952121 /nfs/dbraw/zinc/95/21/21/1040952121.db2.gz ONTBIKPKHVRLGN-GOSISDBHSA-N -1 0 346.452 3.738 20 0 EHADRM CCOCc1cccc(NC(=O)CC2(C(=O)[O-])CCCCCC2)c1 ZINC000237012052 1040955597 /nfs/dbraw/zinc/95/55/97/1040955597.db2.gz SUOYKPLPNMVQHU-UHFFFAOYSA-N -1 0 333.428 3.977 20 0 EHADRM CCOCc1cccc(NC(=O)CC2(CC(=O)[O-])CCCCC2)c1 ZINC000237012096 1040957076 /nfs/dbraw/zinc/95/70/76/1040957076.db2.gz SQYFHUHUXKQYEC-UHFFFAOYSA-N -1 0 333.428 3.977 20 0 EHADRM CC(C)(CC(=O)N(CC(=O)[O-])Cc1ccc(F)cc1)CC(F)(F)F ZINC000909731611 1040984948 /nfs/dbraw/zinc/98/49/48/1040984948.db2.gz JGGACBPOEOFQFG-UHFFFAOYSA-N -1 0 349.324 3.608 20 0 EHADRM CC[C@H]1[C@H](C)CCN1C(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000481515692 1041012185 /nfs/dbraw/zinc/01/21/85/1041012185.db2.gz BSHXCHBLWVXCCQ-KOLCDFICSA-N -1 0 336.486 3.649 20 0 EHADRM CSCc1ccc([N-]S(=O)(=O)c2ccc(C)nc2Cl)cc1 ZINC000193324670 1041032930 /nfs/dbraw/zinc/03/29/30/1041032930.db2.gz CGVBAMJJLNQZOP-UHFFFAOYSA-N -1 0 342.873 3.707 20 0 EHADRM CC(C)[C@H]1C[C@H](CC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)CCO1 ZINC000909837067 1041034780 /nfs/dbraw/zinc/03/47/80/1041034780.db2.gz TUBIQLXKOGEBMU-JJRVBVJISA-N -1 0 333.428 3.655 20 0 EHADRM CC[C@](CNC(=O)CC(C)(C)CC(F)F)(C(=O)[O-])c1ccccc1 ZINC000909842515 1041037512 /nfs/dbraw/zinc/03/75/12/1041037512.db2.gz DFQKBXLQCWRJIX-GOSISDBHSA-N -1 0 341.398 3.607 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2CCCCS2)ccc1N1CCCCC1 ZINC000909846602 1041039444 /nfs/dbraw/zinc/03/94/44/1041039444.db2.gz GFWYAKKWYFRYCA-INIZCTEOSA-N -1 0 348.468 3.599 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)C13CCC(C(=O)[O-])(CC1)CC3)CC2 ZINC000909902579 1041060776 /nfs/dbraw/zinc/06/07/76/1041060776.db2.gz YJIXRJXMXPFKKG-DZIBYMRMSA-N -1 0 327.424 3.524 20 0 EHADRM CN=c1[n-]nc(SCc2ccc(OC(C)C)c(Cl)c2)s1 ZINC000487718095 1041065014 /nfs/dbraw/zinc/06/50/14/1041065014.db2.gz GXWYKQRFOAACHC-UHFFFAOYSA-N -1 0 329.878 3.735 20 0 EHADRM CCOc1ccccc1NC(=O)C[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC000899760920 1041088099 /nfs/dbraw/zinc/08/80/99/1041088099.db2.gz APQRZTATLPLDJZ-HNNXBMFYSA-N -1 0 327.380 3.591 20 0 EHADRM CCC[C@@H](NC(=O)C[C@H](C(=O)[O-])c1ccc(C)cc1)c1ccccn1 ZINC000899765254 1041093302 /nfs/dbraw/zinc/09/33/02/1041093302.db2.gz CBKWHVQGQLLJQY-FUHWJXTLSA-N -1 0 340.423 3.606 20 0 EHADRM CCCC(=O)Nc1cccc(NC(=O)[C@@H](CC(=O)[O-])CC(C)C)c1C ZINC000899767929 1041097428 /nfs/dbraw/zinc/09/74/28/1041097428.db2.gz VWWPFIAMABBTFC-CQSZACIVSA-N -1 0 348.443 3.809 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000899767510 1041098060 /nfs/dbraw/zinc/09/80/60/1041098060.db2.gz XRMJPPGBVQDJCJ-ZDUSSCGKSA-N -1 0 336.407 3.501 20 0 EHADRM COc1cccc(F)c1[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000473483967 1041102102 /nfs/dbraw/zinc/10/21/02/1041102102.db2.gz WMXKRENUQUHJMG-UHFFFAOYSA-N -1 0 335.809 3.658 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000555771473 1041126736 /nfs/dbraw/zinc/12/67/36/1041126736.db2.gz FRTSTSMXZRADRU-OAHLLOKOSA-N -1 0 332.787 3.938 20 0 EHADRM CCC(F)(F)C(C)(C)CNC(=O)C[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000899793772 1041143292 /nfs/dbraw/zinc/14/32/92/1041143292.db2.gz BDGJNMUHRXRAJU-CQSZACIVSA-N -1 0 341.398 3.741 20 0 EHADRM Cc1ccc([C@H]2C[C@H](C)N(C(=O)C34CCC(C(=O)[O-])(CC3)C4)C2)cc1 ZINC000910013409 1041149931 /nfs/dbraw/zinc/14/99/31/1041149931.db2.gz ZEZLVHMSQXOVTQ-DSSREEIYSA-N -1 0 341.451 3.735 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1ccccc1CC(F)(F)F ZINC000899812973 1041158907 /nfs/dbraw/zinc/15/89/07/1041158907.db2.gz QYBUTIDSUAERAJ-LBPRGKRZSA-N -1 0 331.334 3.867 20 0 EHADRM CCc1cccc(C(=O)N2CC[C@]3(C2)CCc2ccccc2O3)c1O ZINC000571012228 1041163344 /nfs/dbraw/zinc/16/33/44/1041163344.db2.gz FWAAGSSKYABAIT-NRFANRHFSA-N -1 0 337.419 3.565 20 0 EHADRM Cc1c(NC(=O)CCC2CC2)cc(Br)cc1C(=O)[O-] ZINC000910083427 1041165106 /nfs/dbraw/zinc/16/51/06/1041165106.db2.gz LWTMLFJKDJPZPH-UHFFFAOYSA-N -1 0 326.190 3.584 20 0 EHADRM CCCC[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])cs1)C(C)C ZINC000910101608 1041190407 /nfs/dbraw/zinc/19/04/07/1041190407.db2.gz IHVBTLRBJCAFEO-JSGCOSHPSA-N -1 0 338.473 3.967 20 0 EHADRM Cc1nnc(-c2ccc(NC(=O)c3cc(Cl)ccc3[O-])cc2)o1 ZINC000156426843 1041198174 /nfs/dbraw/zinc/19/81/74/1041198174.db2.gz VEMYXCDZCLQDEZ-UHFFFAOYSA-N -1 0 329.743 3.656 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1 ZINC000899841520 1041205570 /nfs/dbraw/zinc/20/55/70/1041205570.db2.gz CDUWKGDEFWZKMZ-HOTGVXAUSA-N -1 0 331.412 3.607 20 0 EHADRM CC(C)(C)OC1CC(CC(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)C1 ZINC000910197376 1041221045 /nfs/dbraw/zinc/22/10/45/1041221045.db2.gz IZNFGCJXGMAMFW-UHFFFAOYSA-N -1 0 344.411 3.788 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)CCCCC1 ZINC000555852194 1041225808 /nfs/dbraw/zinc/22/58/08/1041225808.db2.gz IUKLNEMZRJYDSI-LSDHHAIUSA-N -1 0 335.831 3.737 20 0 EHADRM COc1cc([C@H](C)NC(=O)CC(C)(C)CC(=O)[O-])cc2ccccc21 ZINC000899854573 1041234497 /nfs/dbraw/zinc/23/44/97/1041234497.db2.gz GIMKYTSDPMJBRJ-ZDUSSCGKSA-N -1 0 343.423 3.917 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)/C=C(/C)c1cccc(C(F)(F)F)c1 ZINC000237027692 1041248911 /nfs/dbraw/zinc/24/89/11/1041248911.db2.gz RYXYISINDBTECY-CLOOOTJHSA-N -1 0 343.345 3.868 20 0 EHADRM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)N=c2[n-]nc(C3CC3)s2)C1 ZINC000555884150 1041296706 /nfs/dbraw/zinc/29/67/06/1041296706.db2.gz CLVOVHMUOAUWGF-IINYFYTJSA-N -1 0 346.431 3.592 20 0 EHADRM CCOc1ccc2cc(C(=O)Nc3cc(C(C)=O)ccc3[O-])[nH]c2c1 ZINC000349723765 1041308497 /nfs/dbraw/zinc/30/84/97/1041308497.db2.gz QCGOARAWLMQSAX-UHFFFAOYSA-N -1 0 338.363 3.727 20 0 EHADRM Cc1nc2sc(-c3ccccc3)cc2c(Sc2n[nH]c(=O)[n-]2)n1 ZINC000509865694 1041330595 /nfs/dbraw/zinc/33/05/95/1041330595.db2.gz CKGRMKIKMIFMCH-UHFFFAOYSA-N -1 0 341.421 3.642 20 0 EHADRM O=C(Nc1ccc(Oc2ccncc2)cc1)c1cc(F)cc2n[nH]nc21 ZINC000433358260 1041331910 /nfs/dbraw/zinc/33/19/10/1041331910.db2.gz ZNNNOKXJPQHVDU-UHFFFAOYSA-N -1 0 349.325 3.537 20 0 EHADRM CO[C@H](C)c1nc(=NC2CC(F)(c3cccc(Cl)c3)C2)s[n-]1 ZINC000509880604 1041406062 /nfs/dbraw/zinc/40/60/62/1041406062.db2.gz MVSLWJADCFEMRV-DQSQBROSSA-N -1 0 341.839 3.760 20 0 EHADRM Cc1ccc2c(c1)CN(C(=O)N=c1[n-]nc(-c3ccsc3)s1)C2 ZINC000431981996 1041449131 /nfs/dbraw/zinc/44/91/31/1041449131.db2.gz QGZXQNQOVWCOHU-UHFFFAOYSA-N -1 0 342.449 3.545 20 0 EHADRM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000511697171 1041459143 /nfs/dbraw/zinc/45/91/43/1041459143.db2.gz IVRUGOCZISFXEH-LLVKDONJSA-N -1 0 341.379 3.943 20 0 EHADRM C[C@@]1(NC(=O)CCc2ccc3ccccc3c2)CCCC[C@H]1C(=O)[O-] ZINC000432096132 1041590026 /nfs/dbraw/zinc/59/00/26/1041590026.db2.gz DRLACIAJTVMYNN-GHTZIAJQSA-N -1 0 339.435 3.922 20 0 EHADRM O=C([O-])c1cccc(CC(=O)Nc2cccc(Oc3ccccn3)c2)c1 ZINC000432110598 1041604042 /nfs/dbraw/zinc/60/40/42/1041604042.db2.gz IJRDDFHZACRQOI-UHFFFAOYSA-N -1 0 348.358 3.753 20 0 EHADRM CCCCC1CCC(C(=O)N[C@H](CC2(OC)CCC2)C(=O)[O-])CC1 ZINC000652104585 1041612524 /nfs/dbraw/zinc/61/25/24/1041612524.db2.gz UEZCBGDOFHNPCW-UYSNPLJNSA-N -1 0 339.476 3.512 20 0 EHADRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)CCCC1CCCC1 ZINC000432124440 1041618912 /nfs/dbraw/zinc/61/89/12/1041618912.db2.gz AOPFMOKBKGZNDS-SFHVURJKSA-N -1 0 331.456 3.939 20 0 EHADRM Cc1ccc2nc(C)c(C(=O)N[C@]3(C)CCCC[C@H]3C(=O)[O-])cc2c1 ZINC000432132249 1041631838 /nfs/dbraw/zinc/63/18/38/1041631838.db2.gz ANSCSFDFIXSEMX-OXJNMPFZSA-N -1 0 340.423 3.615 20 0 EHADRM COc1ccc2c(c1)[C@@H](C(=O)Nc1cc(F)cc(Cl)c1[O-])CC2 ZINC000432146486 1041651658 /nfs/dbraw/zinc/65/16/58/1041651658.db2.gz BTVURBOWYWDITF-LBPRGKRZSA-N -1 0 335.762 3.862 20 0 EHADRM Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)c(C)c1 ZINC000013173801 1041667179 /nfs/dbraw/zinc/66/71/79/1041667179.db2.gz SSOOXBGETKWERD-MRXNPFEDSA-N -1 0 331.799 3.903 20 0 EHADRM FC(F)c1n[n-]c(=NCCc2c[nH]c3cc(Cl)cc(Cl)c23)o1 ZINC000432174299 1041691408 /nfs/dbraw/zinc/69/14/08/1041691408.db2.gz FPLACTBTKJTWHN-UHFFFAOYSA-N -1 0 347.152 3.872 20 0 EHADRM Cc1cc(F)cc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c1 ZINC000432205163 1041793554 /nfs/dbraw/zinc/79/35/54/1041793554.db2.gz KGONFQRXDUQOGK-UHFFFAOYSA-N -1 0 349.305 3.834 20 0 EHADRM CC(C)(O)C1CCC(C(=O)Nc2cc(Cl)c([O-])cc2F)CC1 ZINC000652163831 1042254273 /nfs/dbraw/zinc/25/42/73/1042254273.db2.gz ZHVBNTRCBXSYLE-UHFFFAOYSA-N -1 0 329.799 3.701 20 0 EHADRM Cc1ccccc1OCCN(C)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184204795 1042275719 /nfs/dbraw/zinc/27/57/19/1042275719.db2.gz KVYVSNKBEOETMG-UHFFFAOYSA-N -1 0 337.778 3.644 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc2cc(Cl)ccc2s1 ZINC000663058247 1042407373 /nfs/dbraw/zinc/40/73/73/1042407373.db2.gz XCVMRVSBHSJQDT-VHSXEESVSA-N -1 0 337.828 3.880 20 0 EHADRM CC(C)C[C@H](C)Oc1cc(CN=c2[n-]nc(C3CC3)s2)ccn1 ZINC000432239548 1042410350 /nfs/dbraw/zinc/41/03/50/1042410350.db2.gz DXCGSMYDFJDOMK-LBPRGKRZSA-N -1 0 332.473 3.658 20 0 EHADRM CC(C)C(=O)Nc1ccc(NC(=O)C2(C(=O)[O-])CCCCCC2)cc1 ZINC000663063168 1042413219 /nfs/dbraw/zinc/41/32/19/1042413219.db2.gz JGOLBMMWTGJLAG-UHFFFAOYSA-N -1 0 346.427 3.645 20 0 EHADRM C[C@H](CCc1ccc(O)cc1)NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184509620 1042570152 /nfs/dbraw/zinc/57/01/52/1042570152.db2.gz QEJNPBZJPPGIRO-SNVBAGLBSA-N -1 0 337.778 3.641 20 0 EHADRM C[C@@H](CCc1ccc(O)cc1)NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184509597 1042570508 /nfs/dbraw/zinc/57/05/08/1042570508.db2.gz QEJNPBZJPPGIRO-JTQLQIEISA-N -1 0 337.778 3.641 20 0 EHADRM COCc1ccc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2Cl)o1 ZINC000663261250 1042608545 /nfs/dbraw/zinc/60/85/45/1042608545.db2.gz HMPMEFCMOREPTP-AWEZNQCLSA-N -1 0 344.194 3.648 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)nc1C ZINC000663301947 1042649410 /nfs/dbraw/zinc/64/94/10/1042649410.db2.gz VGKIRUJPMZLZBW-UHFFFAOYSA-N -1 0 342.367 3.527 20 0 EHADRM CSc1ccc(NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])cc1Cl ZINC000601987544 1042654810 /nfs/dbraw/zinc/65/48/10/1042654810.db2.gz IFUJLWZVYQXWNY-SFYZADRCSA-N -1 0 333.862 3.595 20 0 EHADRM O=C(NCCc1ccc2ccccc2c1)c1cc(F)c([O-])c(F)c1 ZINC000186602925 1042674910 /nfs/dbraw/zinc/67/49/10/1042674910.db2.gz VNHGOSDDWLTHSK-UHFFFAOYSA-N -1 0 327.330 3.796 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)C2CCC(C3CC3)CC2)[C@H]2CCCC[C@H]12 ZINC000659193642 1042685059 /nfs/dbraw/zinc/68/50/59/1042685059.db2.gz QDRAMZRMRIMVEG-ILEACXBISA-N -1 0 333.472 3.695 20 0 EHADRM Cc1ccc(SC[C@@H](C)NC(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000186704637 1042686244 /nfs/dbraw/zinc/68/62/44/1042686244.db2.gz DARZVSDOCJYZGT-LLVKDONJSA-N -1 0 337.391 3.889 20 0 EHADRM CC[C@H](CNC(=O)c1cc(F)c([O-])c(F)c1)Oc1ccccc1C ZINC000186852133 1042716648 /nfs/dbraw/zinc/71/66/48/1042716648.db2.gz OYLGVKWCVGLKNV-CYBMUJFWSA-N -1 0 335.350 3.566 20 0 EHADRM Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)ccc1Cl ZINC000659194746 1042740672 /nfs/dbraw/zinc/74/06/72/1042740672.db2.gz UTSULXQXENICRE-DZKIICNBSA-N -1 0 335.831 3.754 20 0 EHADRM COC(=O)CC(C)(C)CC(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000159222467 1042756779 /nfs/dbraw/zinc/75/67/79/1042756779.db2.gz KYGVAFBNQCWECL-UHFFFAOYSA-N -1 0 334.199 3.617 20 0 EHADRM CC(C)n1cc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cn1 ZINC000066585540 1042770038 /nfs/dbraw/zinc/77/00/38/1042770038.db2.gz JFPDTGACDQFRPS-UHFFFAOYSA-N -1 0 334.228 3.572 20 0 EHADRM FC(F)c1n[n-]c(=NCCOc2ccccc2-c2ccccc2)o1 ZINC000432320366 1042854281 /nfs/dbraw/zinc/85/42/81/1042854281.db2.gz ODABVXLRGIKFGP-UHFFFAOYSA-N -1 0 331.322 3.587 20 0 EHADRM [O-]c1ccc(Cl)cc1-c1nc(C2(c3cnccn3)CCCC2)no1 ZINC000924200313 1042910016 /nfs/dbraw/zinc/91/00/16/1042910016.db2.gz NICPCLMYXONCPH-UHFFFAOYSA-N -1 0 342.786 3.746 20 0 EHADRM Cc1ccc(CCCC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000653332817 1042981869 /nfs/dbraw/zinc/98/18/69/1042981869.db2.gz IKYMLOHDKJNUCN-RBUKOAKNSA-N -1 0 337.419 3.747 20 0 EHADRM CC(C)(C)c1cc(NC(=O)CCC(=O)[O-])n(-c2cccc(Cl)c2)n1 ZINC000000325116 1042990731 /nfs/dbraw/zinc/99/07/31/1042990731.db2.gz DHILWOLFEBNHDV-UHFFFAOYSA-N -1 0 349.818 3.627 20 0 EHADRM CN(C(=O)Nc1cc(C(=O)[O-])ccc1Br)C1CCCC1 ZINC000234274415 1043014019 /nfs/dbraw/zinc/01/40/19/1043014019.db2.gz OZNZJJMAUXLBGC-UHFFFAOYSA-N -1 0 341.205 3.554 20 0 EHADRM Cc1ccc(-c2ncco2)cc1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000432103199 1043015366 /nfs/dbraw/zinc/01/53/66/1043015366.db2.gz PQFSTUASGKPDEZ-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM O=S(=O)([N-]c1ccccc1N1CCCCC1)c1ccccc1F ZINC000007056723 1043020370 /nfs/dbraw/zinc/02/03/70/1043020370.db2.gz MJZMUZYRZAMUJW-UHFFFAOYSA-N -1 0 334.416 3.617 20 0 EHADRM CC(C)c1cccc([N-]S(=O)(=O)c2c(Cl)nc3ccccn32)c1 ZINC000319773981 1043073818 /nfs/dbraw/zinc/07/38/18/1043073818.db2.gz XOQRHPUGBAFFKY-UHFFFAOYSA-N -1 0 349.843 3.912 20 0 EHADRM COc1c(Cl)cc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1Cl ZINC000585810464 1043086591 /nfs/dbraw/zinc/08/65/91/1043086591.db2.gz SWMVXGTUQJFDED-UWVGGRQHSA-N -1 0 344.194 3.608 20 0 EHADRM FC(F)(F)c1ccc(CN=c2[n-]nc(C(F)(F)F)s2)s1 ZINC000432423372 1043168609 /nfs/dbraw/zinc/16/86/09/1043168609.db2.gz JPWXMDHLRQYCMJ-UHFFFAOYSA-N -1 0 333.282 3.671 20 0 EHADRM Cc1ccc(NC(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])cc1Cl ZINC000324580545 1043323545 /nfs/dbraw/zinc/32/35/45/1043323545.db2.gz GCPSJAXGDVSOJO-INIZCTEOSA-N -1 0 344.798 3.864 20 0 EHADRM CC(C)N(CCc1nccs1)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000187203937 1043905652 /nfs/dbraw/zinc/90/56/52/1043905652.db2.gz XZXOXOMHUOUJOI-UHFFFAOYSA-N -1 0 342.823 3.735 20 0 EHADRM CC(=C([O-])c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000391252536 1043922439 /nfs/dbraw/zinc/92/24/39/1043922439.db2.gz DKDZRESYOWRBPS-INIZCTEOSA-N -1 0 330.449 3.965 20 0 EHADRM C[C@H](NC(=O)CC1(C(=O)[O-])CCC1)c1ccc(Cl)cc1Cl ZINC000261600088 1044495931 /nfs/dbraw/zinc/49/59/31/1044495931.db2.gz BJJRNAHXASQUSC-VIFPVBQESA-N -1 0 330.211 3.816 20 0 EHADRM O=C(CCn1ccnc1)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000344949677 1044719084 /nfs/dbraw/zinc/71/90/84/1044719084.db2.gz MGEUAUXGLDSGQG-UHFFFAOYSA-N -1 0 334.590 3.578 20 0 EHADRM CC[C@H]1Cc2ccccc2CN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000345015398 1044821837 /nfs/dbraw/zinc/82/18/37/1044821837.db2.gz PJTDYBZQCJIZSL-KRWDZBQOSA-N -1 0 347.418 3.555 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(OCC(C)C)c2)c(F)c1 ZINC000404948192 1125634244 /nfs/dbraw/zinc/63/42/44/1125634244.db2.gz TYVDSKMPBGTRRZ-UHFFFAOYSA-N -1 0 337.416 3.970 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)c(C)s1 ZINC000154019169 1125685109 /nfs/dbraw/zinc/68/51/09/1125685109.db2.gz OKFJGRNQRMEVGD-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM CC(C)C[C@H](NC(=O)c1ccc(O)cc1F)c1nc2ccccc2[nH]1 ZINC000154861510 1125761162 /nfs/dbraw/zinc/76/11/62/1125761162.db2.gz JTSGBNIHUUCTHA-KRWDZBQOSA-N -1 0 341.386 3.925 20 0 EHADRM O=C(C[C@H]1C=CCCC1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000188627716 1126730052 /nfs/dbraw/zinc/73/00/52/1126730052.db2.gz HIDUSHWLVRJWOU-JTQLQIEISA-N -1 0 348.251 3.545 20 0 EHADRM O=C([O-])c1cc(C(=O)/C=C/c2ccc([N+](=O)[O-])c(Cl)c2)cs1 ZINC000185028158 1126737792 /nfs/dbraw/zinc/73/77/92/1126737792.db2.gz PPDWRAZQJSHXAC-DUXPYHPUSA-N -1 0 337.740 3.904 20 0 EHADRM COc1ccc2c(CC(=O)Nc3cccc(Cl)c3[O-])coc2c1 ZINC000172111771 1126780727 /nfs/dbraw/zinc/78/07/27/1126780727.db2.gz QVUPAJXHMPWQDI-UHFFFAOYSA-N -1 0 331.755 3.982 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)C(C)(C)CC(F)(F)F)s[n-]1 ZINC000622846262 1126800857 /nfs/dbraw/zinc/80/08/57/1126800857.db2.gz DPWPSCPMOFALJH-UHFFFAOYSA-N -1 0 349.403 3.914 20 0 EHADRM C[C@@]1(CNC(=O)c2cc(F)c(F)c([O-])c2F)CCCc2ccccc21 ZINC000542637097 1126812364 /nfs/dbraw/zinc/81/23/64/1126812364.db2.gz KHGWYIHOBRJIPU-IBGZPJMESA-N -1 0 349.352 3.834 20 0 EHADRM O=C(N=c1nc(-c2ccccc2C(F)(F)F)[n-]s1)C1=CCCC1 ZINC000622918959 1126824189 /nfs/dbraw/zinc/82/41/89/1126824189.db2.gz LQMJAFFQZWHGFC-UHFFFAOYSA-N -1 0 339.342 3.695 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1ccnc(OCC(F)(F)F)c1 ZINC000173478252 1126833659 /nfs/dbraw/zinc/83/36/59/1126833659.db2.gz RCIDEHDZEOSPSS-UHFFFAOYSA-N -1 0 346.692 3.634 20 0 EHADRM CCN(CC(=O)[O-])C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000404257577 1127262870 /nfs/dbraw/zinc/26/28/70/1127262870.db2.gz RAQVBOVLMJBKES-UHFFFAOYSA-N -1 0 325.579 3.585 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)nc2)c(C)o1 ZINC000182782686 1127347885 /nfs/dbraw/zinc/34/78/85/1127347885.db2.gz AIYRMWBFQJKRAJ-UHFFFAOYSA-N -1 0 344.392 3.885 20 0 EHADRM CC(C)(C)Oc1ccncc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000183475313 1127377847 /nfs/dbraw/zinc/37/78/47/1127377847.db2.gz QCFKARWCQODSQZ-UHFFFAOYSA-N -1 0 340.301 3.634 20 0 EHADRM C[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1cccc(F)c1F ZINC000183614725 1127382276 /nfs/dbraw/zinc/38/22/76/1127382276.db2.gz ZOGIZSHAJYFXGB-LURJTMIESA-N -1 0 331.240 3.579 20 0 EHADRM C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H](CC1CCC1)c1ccccc1 ZINC000184831602 1127413897 /nfs/dbraw/zinc/41/38/97/1127413897.db2.gz FHPMWVBQNVQKAI-SMDDNHRTSA-N -1 0 335.391 3.788 20 0 EHADRM C[C@H](NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)[C@@H]1CC2CCC1CC2 ZINC000382286518 1127505552 /nfs/dbraw/zinc/50/55/52/1127505552.db2.gz ZVPUHUGVWABPLF-AVXXVXFESA-N -1 0 343.467 3.750 20 0 EHADRM O=C(Cc1cccc2ccccc21)NOCc1cccc2nsnc21 ZINC000764553961 1127506577 /nfs/dbraw/zinc/50/65/77/1127506577.db2.gz SWQJIWDHNYPSCZ-UHFFFAOYSA-N -1 0 349.415 3.635 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)Nc1ccc2c(c1)Cc1ccccc1-2)C1CC1 ZINC000383009043 1127526860 /nfs/dbraw/zinc/52/68/60/1127526860.db2.gz BHWKMVQEHWNNEV-GFCCVEGCSA-N -1 0 336.391 3.727 20 0 EHADRM Cc1ccc([C@H](C)[C@@H](O)C(=O)Nc2ccc3[n-]c(=S)oc3c2)cc1 ZINC000765175766 1127582312 /nfs/dbraw/zinc/58/23/12/1127582312.db2.gz FYNPRURSZQFYPK-MEDUHNTESA-N -1 0 342.420 3.528 20 0 EHADRM C[C@@H](CC(=O)[O-])c1ccc(NCc2cnn(CC(F)(F)F)c2)cc1 ZINC000417607889 1127586012 /nfs/dbraw/zinc/58/60/12/1127586012.db2.gz HOZFZVPQBFPFRN-NSHDSACASA-N -1 0 341.333 3.636 20 0 EHADRM C[C@H]1c2c(F)cccc2CCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000542657365 1127657624 /nfs/dbraw/zinc/65/76/24/1127657624.db2.gz ZMVFOJHQLMABBK-QMMMGPOBSA-N -1 0 339.288 3.708 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)Nc1cccc(C(F)F)c1 ZINC000386321140 1127662572 /nfs/dbraw/zinc/66/25/72/1127662572.db2.gz NMVCZXOVZQMAIX-OAHLLOKOSA-N -1 0 346.333 3.840 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3C[C@H]4CCC[C@@H]4C3)n2)cc1 ZINC000155187969 1127927408 /nfs/dbraw/zinc/92/74/08/1127927408.db2.gz BBQRXWSCXLCMGP-HZPDHXFCSA-N -1 0 339.439 3.573 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c2n[nH]cc21 ZINC000063635585 1128149816 /nfs/dbraw/zinc/14/98/16/1128149816.db2.gz QAUITOURFWCBQS-UHFFFAOYSA-N -1 0 341.436 3.551 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cccc(SC(F)F)c2)CCCC1 ZINC000066966078 1128230804 /nfs/dbraw/zinc/23/08/04/1128230804.db2.gz HFULMYCODUSRDP-UHFFFAOYSA-N -1 0 329.368 3.975 20 0 EHADRM CC[C@H](CCc1ccccc1)N=c1nc(C2CCOCC2)[n-]s1 ZINC000624517610 1128384138 /nfs/dbraw/zinc/38/41/38/1128384138.db2.gz HENFGAIDCKJHHF-MRXNPFEDSA-N -1 0 331.485 3.677 20 0 EHADRM Fc1ccc([C@H](N=c2nc(C3CCCC3)[n-]s2)c2ncc[nH]2)cc1 ZINC000624537566 1128389541 /nfs/dbraw/zinc/38/95/41/1128389541.db2.gz ICFOGOZTFDEKOF-AWEZNQCLSA-N -1 0 343.431 3.681 20 0 EHADRM O=C(Nc1cc(Cl)cc(Br)c1[O-])C1(CCF)CC1 ZINC000290267376 1128447346 /nfs/dbraw/zinc/44/73/46/1128447346.db2.gz BNGMLUMWUAQMJG-UHFFFAOYSA-N -1 0 336.588 3.886 20 0 EHADRM CC(C)Sc1ccccc1C(=O)OCC(=O)c1ccc(O)cc1O ZINC000057881133 1128455146 /nfs/dbraw/zinc/45/51/46/1128455146.db2.gz IZXRNLQHPOOTKT-UHFFFAOYSA-N -1 0 346.404 3.638 20 0 EHADRM CC(C)CN(C(=O)NC[C@@H](C)C(=O)[O-])[C@H](C)c1ccccc1Cl ZINC000655881935 1128517415 /nfs/dbraw/zinc/51/74/15/1128517415.db2.gz RYTWCLNOVVHZIH-CHWSQXEVSA-N -1 0 340.851 3.789 20 0 EHADRM CC(C)=C[C@H]1[C@@H](C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)C1(C)C ZINC000057752489 1128663916 /nfs/dbraw/zinc/66/39/16/1128663916.db2.gz YPIPVZCVEOFJJY-KBPBESRZSA-N -1 0 327.384 3.619 20 0 EHADRM C[C@@H]([NH2+]Cc1coc(-c2ccccc2)n1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656097612 1128737019 /nfs/dbraw/zinc/73/70/19/1128737019.db2.gz ALKCUPNOTASODO-UHOFOFEASA-N -1 0 328.412 3.567 20 0 EHADRM O=C([N-]OCCC(F)(F)F)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000155025120 1120033825 /nfs/dbraw/zinc/03/38/25/1120033825.db2.gz FGPUTSJTCREKAG-UHFFFAOYSA-N -1 0 341.251 3.737 20 0 EHADRM O=C(NC[C@H](O)C1CCC1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC001648847273 1120054039 /nfs/dbraw/zinc/05/40/39/1120054039.db2.gz OMFNDMKOSKJMAZ-KRWDZBQOSA-N -1 0 345.826 3.603 20 0 EHADRM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3cccc(C)c3F)c2C)o1 ZINC000180520328 1120311518 /nfs/dbraw/zinc/31/15/18/1120311518.db2.gz YSNMPQPJEVNJFL-UHFFFAOYSA-N -1 0 349.387 3.535 20 0 EHADRM COc1cc(Nc2cc(Br)ccc2C#N)ccc1C(=O)[O-] ZINC000227179567 1120326742 /nfs/dbraw/zinc/32/67/42/1120326742.db2.gz JWQMAWMLLSVCFF-UHFFFAOYSA-N -1 0 347.168 3.771 20 0 EHADRM O=S(=O)([N-]c1ccc2ncsc2c1)c1c[nH]c2cccc(F)c21 ZINC000185196224 1120403168 /nfs/dbraw/zinc/40/31/68/1120403168.db2.gz PIRRLGWOSNXSLV-UHFFFAOYSA-N -1 0 347.396 3.718 20 0 EHADRM C[C@@](CC(=O)Nc1cc(F)ccc1Cl)(C(=O)[O-])c1ccccc1 ZINC000076393193 1128918987 /nfs/dbraw/zinc/91/89/87/1128918987.db2.gz WDUCBXJWLDYNRC-KRWDZBQOSA-N -1 0 335.762 3.850 20 0 EHADRM O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1cc(F)c(F)cc1F ZINC000521539435 1120522997 /nfs/dbraw/zinc/52/29/97/1120522997.db2.gz JTUMXLCFHKWIKS-UHFFFAOYSA-N -1 0 339.697 3.697 20 0 EHADRM COc1cc(C)c([N-]S(=O)(=O)c2cc(C)c(Cl)s2)cc1F ZINC000190345778 1120634740 /nfs/dbraw/zinc/63/47/40/1120634740.db2.gz JRARBZGOKQFTEO-UHFFFAOYSA-N -1 0 349.836 3.967 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccccc2)nn1)c1ccccc1Cl ZINC000191035528 1120658959 /nfs/dbraw/zinc/65/89/59/1120658959.db2.gz CTAZSLRHVFJESV-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM Cc1ncc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)s1 ZINC000443457513 1120679342 /nfs/dbraw/zinc/67/93/42/1120679342.db2.gz XBWIVEIPHVQQMI-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)C[C@H](C)Cc1ccc(Cl)cc1 ZINC000761650793 1120702001 /nfs/dbraw/zinc/70/20/01/1120702001.db2.gz MZRPERHFRZVXNE-SJKOYZFVSA-N -1 0 325.836 3.668 20 0 EHADRM CCC[C@H](C)c1cc(NC(=O)N=c2nc(C(C)(C)C)[n-]s2)n[nH]1 ZINC000494764252 1120781915 /nfs/dbraw/zinc/78/19/15/1120781915.db2.gz CBYZBJCUFWJJBB-VIFPVBQESA-N -1 0 336.465 3.528 20 0 EHADRM Cc1ccc(CCC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)c(C)c1 ZINC000262302445 1120847455 /nfs/dbraw/zinc/84/74/55/1120847455.db2.gz KYQHVOFISMFYTG-GOSISDBHSA-N -1 0 343.398 3.707 20 0 EHADRM O=C([O-])c1cccc(NCc2cc(Br)cc3c2OCC3)c1 ZINC000227679850 1120903627 /nfs/dbraw/zinc/90/36/27/1120903627.db2.gz AJSAUHZPYAABCJ-UHFFFAOYSA-N -1 0 348.196 3.694 20 0 EHADRM Cc1cnc(C(=O)N(CCc2ccccc2)c2ccccc2)c([O-])c1 ZINC000495127613 1120965676 /nfs/dbraw/zinc/96/56/76/1120965676.db2.gz KMFUOUKFVQJITC-UHFFFAOYSA-N -1 0 332.403 3.985 20 0 EHADRM CCc1nnc(C)cc1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000230871124 1121011002 /nfs/dbraw/zinc/01/10/02/1121011002.db2.gz CVYHAGXMPPZYJS-UHFFFAOYSA-N -1 0 326.183 3.612 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1OC ZINC000007109363 1121325657 /nfs/dbraw/zinc/32/56/57/1121325657.db2.gz HZWUPLMGMIDRHZ-UHFFFAOYSA-N -1 0 341.816 3.548 20 0 EHADRM O=C(OCc1noc(C2CCCCC2)n1)c1ccc([O-])c(Cl)c1 ZINC000762826040 1121449874 /nfs/dbraw/zinc/44/98/74/1121449874.db2.gz XTGNOPLBGSQDIZ-UHFFFAOYSA-N -1 0 336.775 3.833 20 0 EHADRM CCCc1cc(C(=O)NC[C@H](Cc2ccccc2)C(=O)[O-])sc1C ZINC000236902030 1121467785 /nfs/dbraw/zinc/46/77/85/1121467785.db2.gz DQJBWPFOUWHTHI-INIZCTEOSA-N -1 0 345.464 3.682 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])Cc1csc(-c2ccc(OC)cc2)n1 ZINC000236965893 1121469084 /nfs/dbraw/zinc/46/90/84/1121469084.db2.gz YHALKGCJTUSGAL-LBPRGKRZSA-N -1 0 334.441 3.504 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])Cc1csc(-c2ccccc2OC)n1 ZINC000236966073 1121469311 /nfs/dbraw/zinc/46/93/11/1121469311.db2.gz KAVAYJSTOGSFAQ-LBPRGKRZSA-N -1 0 334.441 3.504 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N[C@@H](C)c2nc(C)c(C(=O)[O-])s2)cc1 ZINC000236945955 1121469613 /nfs/dbraw/zinc/46/96/13/1121469613.db2.gz DGFVQBWYSDNTMQ-PWSUYJOCSA-N -1 0 346.452 3.693 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N[C@@H](C)c2nc(C)c(C(=O)[O-])s2)cc1 ZINC000236971533 1121470436 /nfs/dbraw/zinc/47/04/36/1121470436.db2.gz DGFVQBWYSDNTMQ-JQWIXIFHSA-N -1 0 346.452 3.693 20 0 EHADRM C[C@H](CC1CCCC1)C(=O)Nc1ccccc1-n1ccc(C(=O)[O-])n1 ZINC000237368556 1121481978 /nfs/dbraw/zinc/48/19/78/1121481978.db2.gz OCYZWKAMPVTIHT-CYBMUJFWSA-N -1 0 341.411 3.725 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCCc2nc3ccccc3s2)cc1 ZINC000238167094 1121504977 /nfs/dbraw/zinc/50/49/77/1121504977.db2.gz JXAJDCIOFKWLQE-UHFFFAOYSA-N -1 0 340.404 3.956 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 ZINC000238186380 1121506055 /nfs/dbraw/zinc/50/60/55/1121506055.db2.gz QSIIQRNPKYIHIH-UHFFFAOYSA-N -1 0 342.738 3.946 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1cccc2ccccc21)Cc1ccccc1 ZINC000238189882 1121506062 /nfs/dbraw/zinc/50/60/62/1121506062.db2.gz RDTJMBNMHSYJRO-QGZVFWFLSA-N -1 0 333.387 3.513 20 0 EHADRM Cc1cccc2sc([N-]S(=O)(=O)c3cc(F)ccc3F)nc21 ZINC000014229809 1121536808 /nfs/dbraw/zinc/53/68/08/1121536808.db2.gz OMOOEWHFTRMZSQ-UHFFFAOYSA-N -1 0 340.376 3.684 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000762962075 1121614469 /nfs/dbraw/zinc/61/44/69/1121614469.db2.gz IQSOFWNVYPIDJN-CHWSQXEVSA-N -1 0 328.368 3.998 20 0 EHADRM Cc1cc(C)cc(OCC(=O)Nc2ccc3[n-]c(=S)oc3c2)c1 ZINC000762966816 1121619102 /nfs/dbraw/zinc/61/91/02/1121619102.db2.gz HAMMQNFSSRTMKA-UHFFFAOYSA-N -1 0 328.393 3.751 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)CSc2ccc(F)cc2)cc1 ZINC000322726435 1121668745 /nfs/dbraw/zinc/66/87/45/1121668745.db2.gz SIENIWWVNRQORO-KMKOMSMNSA-N -1 0 331.368 3.654 20 0 EHADRM Cc1ccc(C)c(C(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)c1C(=O)[O-] ZINC000326300791 1121914420 /nfs/dbraw/zinc/91/44/20/1121914420.db2.gz DYBPQSVEEVAEBL-LLVKDONJSA-N -1 0 343.345 3.805 20 0 EHADRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1)CC(C)(C)C ZINC000916772119 1122350032 /nfs/dbraw/zinc/35/00/32/1122350032.db2.gz BSTRWJBSIOFXDI-NSHDSACASA-N -1 0 331.865 3.607 20 0 EHADRM Cc1ncc(C(=O)[O-])cc1C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000630113862 1122354231 /nfs/dbraw/zinc/35/42/31/1122354231.db2.gz WRLCLGVDEFZOGS-INIZCTEOSA-N -1 0 344.798 3.719 20 0 EHADRM O=C(Nc1cc(Br)ccc1O)c1cncc2ccccc21 ZINC000126517656 1122410919 /nfs/dbraw/zinc/41/09/19/1122410919.db2.gz YYUGUCMEDHMJJX-UHFFFAOYSA-N -1 0 343.180 3.955 20 0 EHADRM CCCc1cc(=O)[nH]c(SCc2nccn2Cc2ccccc2)n1 ZINC000497317819 1122448884 /nfs/dbraw/zinc/44/88/84/1122448884.db2.gz AMOBVJWEURTDPQ-UHFFFAOYSA-N -1 0 340.452 3.672 20 0 EHADRM CN(CCC(C)(C)C)C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000649027040 1122524319 /nfs/dbraw/zinc/52/43/19/1122524319.db2.gz RATKVEAYYWYRNC-UHFFFAOYSA-N -1 0 335.835 3.740 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)[C@@H](C)C3CCC3)n2)c1 ZINC000497380669 1122527466 /nfs/dbraw/zinc/52/74/66/1122527466.db2.gz CICSHUIFNXPHPP-AWEZNQCLSA-N -1 0 341.455 3.962 20 0 EHADRM O=C([O-])c1cccc2oc(/C=C/c3cccc(-n4cccn4)c3)nc21 ZINC000670369721 1122580202 /nfs/dbraw/zinc/58/02/02/1122580202.db2.gz OQSKPKMVRCSZSL-CMDGGOBGSA-N -1 0 331.331 3.882 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000262641281 1122587341 /nfs/dbraw/zinc/58/73/41/1122587341.db2.gz QAQLVTDDZVGPAA-KSZLIROESA-N -1 0 341.382 3.570 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)c(C)n1 ZINC000917664046 1122660859 /nfs/dbraw/zinc/66/08/59/1122660859.db2.gz TXFBFQYBOYCCKN-UHFFFAOYSA-N -1 0 326.377 3.864 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C3CCCC3)[nH]n2)c1 ZINC000497845711 1122681827 /nfs/dbraw/zinc/68/18/27/1122681827.db2.gz BRZUIDSEXDHDFQ-UHFFFAOYSA-N -1 0 339.848 3.830 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)NC2(c3ccc(F)cc3)CCCC2)CC1 ZINC000262683374 1122714857 /nfs/dbraw/zinc/71/48/57/1122714857.db2.gz BKYFCTNNHPIVFT-HDJSIYSDSA-N -1 0 333.403 3.602 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)CC1 ZINC000262713939 1122777046 /nfs/dbraw/zinc/77/70/46/1122777046.db2.gz MQLXCCTUEYISPB-ZOBUZTSGSA-N -1 0 333.403 3.674 20 0 EHADRM C[C@@H](CC(=O)N1CCC[C@H](CC(=O)[O-])C1)Cc1ccc(Cl)cc1 ZINC000556145106 1122840942 /nfs/dbraw/zinc/84/09/42/1122840942.db2.gz CFHAHLQDWRKMQV-UKRRQHHQSA-N -1 0 337.847 3.622 20 0 EHADRM CCS(=O)(=O)[N-]c1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000129951758 1122857680 /nfs/dbraw/zinc/85/76/80/1122857680.db2.gz XWAPVCGYURCWIK-UHFFFAOYSA-N -1 0 337.253 3.879 20 0 EHADRM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000556374060 1122955745 /nfs/dbraw/zinc/95/57/45/1122955745.db2.gz BEHWLCVEBJYMCZ-SNVBAGLBSA-N -1 0 347.761 3.734 20 0 EHADRM CC(C)(C)CN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000498647510 1123007072 /nfs/dbraw/zinc/00/70/72/1123007072.db2.gz SYIFOSZXGUKOGD-IAGOWNOFSA-N -1 0 331.456 3.952 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000262865867 1123052773 /nfs/dbraw/zinc/05/27/73/1123052773.db2.gz DYQXGZMCHYVWBO-UHFFFAOYSA-N -1 0 337.382 3.895 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2CC3(CCCC3)c3ccccc32)CC1 ZINC000262871549 1123057986 /nfs/dbraw/zinc/05/79/86/1123057986.db2.gz CYVKPKVUDLLFIC-SHTZXODSSA-N -1 0 327.424 3.736 20 0 EHADRM CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)c1 ZINC000131630316 1123153916 /nfs/dbraw/zinc/15/39/16/1123153916.db2.gz CGGCQYAQFIFEEH-UHFFFAOYSA-N -1 0 349.456 3.586 20 0 EHADRM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2cc3ccccc3o2)c1 ZINC000131779897 1123180234 /nfs/dbraw/zinc/18/02/34/1123180234.db2.gz MSKRZFSPBDOEHB-GFCCVEGCSA-N -1 0 331.393 3.941 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C(C)C)c1 ZINC000499267398 1123320213 /nfs/dbraw/zinc/32/02/13/1123320213.db2.gz PZRPSOHWXHEGOE-UHFFFAOYSA-N -1 0 335.473 3.772 20 0 EHADRM COc1ccc2nc([N-]S(=O)(=O)Cc3cccc(C)c3)sc2c1 ZINC000074932362 1123347918 /nfs/dbraw/zinc/34/79/18/1123347918.db2.gz JGMQEDYVBYQUSH-UHFFFAOYSA-N -1 0 348.449 3.555 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000649250426 1123397626 /nfs/dbraw/zinc/39/76/26/1123397626.db2.gz OMTQEUXBRJBNNV-JWHDQAAXSA-N -1 0 343.467 3.795 20 0 EHADRM Cc1cc(Oc2ncccn2)ccc1NC(=O)c1c([O-])cccc1F ZINC000133516440 1123399264 /nfs/dbraw/zinc/39/92/64/1123399264.db2.gz QTMSOMLRAJYVPD-UHFFFAOYSA-N -1 0 339.326 3.674 20 0 EHADRM C[C@H]1CCCC[C@H]1CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000920789114 1123423563 /nfs/dbraw/zinc/42/35/63/1123423563.db2.gz SGPSWWPTPFWJKH-HOCLYGCPSA-N -1 0 349.496 3.587 20 0 EHADRM CC(C)(C)[C@H]1CCc2sc(C(=O)N3CC[C@@](C)(C(=O)[O-])C3)cc2C1 ZINC000236729841 1123458740 /nfs/dbraw/zinc/45/87/40/1123458740.db2.gz KRSIVEBKKCZGJA-ORAYPTAESA-N -1 0 349.496 3.836 20 0 EHADRM O=C(c1c([O-])cc(F)cc1F)N1CCC(COc2ccccc2)CC1 ZINC000066050796 1129127396 /nfs/dbraw/zinc/12/73/96/1129127396.db2.gz RYCAVLKGMFSODT-UHFFFAOYSA-N -1 0 347.361 3.602 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)Nc2ccc(CCCC(=O)[O-])cc2)c1 ZINC000134618147 1123536462 /nfs/dbraw/zinc/53/64/62/1123536462.db2.gz RCOUCGHSALHMGU-UHFFFAOYSA-N -1 0 347.436 3.512 20 0 EHADRM O=c1nc(Cc2nc3cc(Cl)ccc3s2)[n-]c2ccsc21 ZINC000077491504 1123559351 /nfs/dbraw/zinc/55/93/51/1123559351.db2.gz YBIJNIUWRZNJMU-UHFFFAOYSA-N -1 0 333.825 3.839 20 0 EHADRM O=C([O-])c1cccc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2Cl)c1 ZINC000238223721 1123571624 /nfs/dbraw/zinc/57/16/24/1123571624.db2.gz HSEIESMBXKXZBK-VXGBXAGGSA-N -1 0 333.746 3.920 20 0 EHADRM C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)C[C@@]1(C)C(=O)[O-] ZINC000564334988 1123616873 /nfs/dbraw/zinc/61/68/73/1123616873.db2.gz IVXRVZWTPIPWMS-RAXVHSSMSA-N -1 0 337.419 3.513 20 0 EHADRM Cc1noc(C2CC2)c1NC(=O)c1ccc(Br)cc1[O-] ZINC000135587546 1123629537 /nfs/dbraw/zinc/62/95/37/1123629537.db2.gz RMLQPSWBPZTASS-UHFFFAOYSA-N -1 0 337.173 3.581 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000615251421 1123767427 /nfs/dbraw/zinc/76/74/27/1123767427.db2.gz DIPQGBBGSUNXHD-AWEZNQCLSA-N -1 0 347.333 3.716 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)CCCc2ccc(C)cc2)sc1C(=O)[O-] ZINC000237559481 1123769473 /nfs/dbraw/zinc/76/94/73/1123769473.db2.gz GFUVSGNTVRBLMP-CYBMUJFWSA-N -1 0 346.452 3.658 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)[C@H](C)Cc1ccccc1F ZINC000237561822 1123769590 /nfs/dbraw/zinc/76/95/90/1123769590.db2.gz UYVDMLNLCGSPLF-RDTXWAMCSA-N -1 0 343.398 3.645 20 0 EHADRM Cn1cc(CCC(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)c2ccccc21 ZINC000237772032 1123853961 /nfs/dbraw/zinc/85/39/61/1123853961.db2.gz ORNRKRHVXSAETF-MDWZMJQESA-N -1 0 348.402 3.847 20 0 EHADRM Cc1nn(-c2ccccc2)cc1C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000237888305 1123901718 /nfs/dbraw/zinc/90/17/18/1123901718.db2.gz PMCUHZBHXRANAP-FMIVXFBMSA-N -1 0 347.374 3.531 20 0 EHADRM O=C([N-]CCc1csc(-c2ccc(Cl)cc2)n1)C(F)(F)F ZINC000180271798 1123972598 /nfs/dbraw/zinc/97/25/98/1123972598.db2.gz UKUKANLGGYONET-UHFFFAOYSA-N -1 0 334.750 3.685 20 0 EHADRM C[C@H](NC(=O)C[C@H](Cc1ccccc1)c1ccccc1)[C@H](C)C(=O)[O-] ZINC000263499613 1123991038 /nfs/dbraw/zinc/99/10/38/1123991038.db2.gz YRESRWOLYPCHAO-BXWFABGCSA-N -1 0 339.435 3.628 20 0 EHADRM C[C@@H](CCC(=O)NC[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000263534057 1124014090 /nfs/dbraw/zinc/01/40/90/1124014090.db2.gz NTDLSFJTENHTBW-MAUKXSAKSA-N -1 0 325.408 3.555 20 0 EHADRM COc1cc(CO[N-]C(=O)C(C)(C)c2ccccc2)ccc1SC ZINC000068775609 1124023583 /nfs/dbraw/zinc/02/35/83/1124023583.db2.gz XMMBJIHEYHMSNH-UHFFFAOYSA-N -1 0 345.464 3.943 20 0 EHADRM CC(C)(CO)[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)c1cccs1 ZINC000616854732 1124045786 /nfs/dbraw/zinc/04/57/86/1124045786.db2.gz YSGBNFFFMNTCPX-AWEZNQCLSA-N -1 0 339.844 3.597 20 0 EHADRM CCS[C@@H](C)c1noc(CN(C)Cc2cccc(Cl)c2[O-])n1 ZINC000180754463 1124071434 /nfs/dbraw/zinc/07/14/34/1124071434.db2.gz SOVXKZMYYZMXLL-JTQLQIEISA-N -1 0 341.864 3.875 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)c2ccc3c4c(cccc42)CC3)s1 ZINC000617311164 1124473637 /nfs/dbraw/zinc/47/36/37/1124473637.db2.gz IZAWXEQGDRWNBA-UHFFFAOYSA-N -1 0 337.448 3.762 20 0 EHADRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(-c2cccc(C(C)C)c2)o1 ZINC000181101171 1124525118 /nfs/dbraw/zinc/52/51/18/1124525118.db2.gz ODZYSOUZOYRUJI-MRXNPFEDSA-N -1 0 338.407 3.917 20 0 EHADRM O=S(=O)([N-]c1ccc(C(F)(F)F)nc1)c1ccc(Cl)s1 ZINC000090167169 1124898864 /nfs/dbraw/zinc/89/88/64/1124898864.db2.gz RZAXLMBSHBNTEM-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000618109107 1124988704 /nfs/dbraw/zinc/98/87/04/1124988704.db2.gz CWSKRFXYRNQEOD-INIZCTEOSA-N -1 0 347.798 3.633 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CC[C@H](C2CCCCC2)C1 ZINC000618185381 1125015216 /nfs/dbraw/zinc/01/52/16/1125015216.db2.gz QEFAMMGZLBCNDA-NSHDSACASA-N -1 0 327.346 3.852 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cnc1Cl ZINC000735265852 1131327693 /nfs/dbraw/zinc/32/76/93/1131327693.db2.gz MKORDMOKHJCWRD-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM CC(C)Cc1nc(=NC(=O)c2nc3ccccc3cc2Cl)s[n-]1 ZINC000618350245 1125057839 /nfs/dbraw/zinc/05/78/39/1125057839.db2.gz WSKDTXJHONCLJU-UHFFFAOYSA-N -1 0 346.843 3.612 20 0 EHADRM CCSCc1cccc(NC(=O)N2CCCCC[C@@H]2C(=O)[O-])c1 ZINC000619543097 1125363355 /nfs/dbraw/zinc/36/33/55/1125363355.db2.gz XXUKAOHQDLRHCG-OAHLLOKOSA-N -1 0 336.457 3.801 20 0 EHADRM C[C@H]1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)[C@H](C(=O)[O-])C1 ZINC000322375954 1125413113 /nfs/dbraw/zinc/41/31/13/1125413113.db2.gz BTEBTIXUZHPCEK-FZMZJTMJSA-N -1 0 334.803 3.680 20 0 EHADRM CC(C)Oc1cc(C(=O)[O-])ccc1-c1cc(C(F)(F)F)nn1C ZINC000657205637 1129208119 /nfs/dbraw/zinc/20/81/19/1129208119.db2.gz BEOQIJOYXRGOKJ-UHFFFAOYSA-N -1 0 328.290 3.591 20 0 EHADRM COc1c(F)ccc(Nc2c(C)cc(C)cc2S(=O)(=O)[O-])c1F ZINC001212503361 1129210323 /nfs/dbraw/zinc/21/03/23/1129210323.db2.gz JYIYMHOEYGIYMV-UHFFFAOYSA-N -1 0 343.351 3.581 20 0 EHADRM O=C([O-])c1cnc(C=Cc2ccc(OCc3ccccc3)cc2)[nH]c1=O ZINC000670369896 1129210390 /nfs/dbraw/zinc/21/03/90/1129210390.db2.gz IGTUDUVNSDZVJW-FLIBITNWSA-N -1 0 348.358 3.630 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccsc2)s1)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000466132736 1129236864 /nfs/dbraw/zinc/23/68/64/1129236864.db2.gz NOHYBDSTGGJAJI-NQBHXWOUSA-N -1 0 348.497 3.779 20 0 EHADRM Fc1ccc2c(c1)[C@@H](N=c1[n-]nc(Cc3ccccc3)s1)CC2 ZINC000543206822 1129341156 /nfs/dbraw/zinc/34/11/56/1129341156.db2.gz CFFXCZYLLREPIB-INIZCTEOSA-N -1 0 325.412 3.789 20 0 EHADRM CC(C)(C)[C@@H]1CCN(C(=O)c2cccc(Br)c2[O-])C1 ZINC000543339399 1129420742 /nfs/dbraw/zinc/42/07/42/1129420742.db2.gz POKYLQXGFGBGJI-SNVBAGLBSA-N -1 0 326.234 3.663 20 0 EHADRM COc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000673464019 1129438106 /nfs/dbraw/zinc/43/81/06/1129438106.db2.gz GMFPOSYCVWKULH-UHFFFAOYSA-N -1 0 327.352 3.742 20 0 EHADRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000673463559 1129438795 /nfs/dbraw/zinc/43/87/95/1129438795.db2.gz WXBKZBQKCJPQBE-UHFFFAOYSA-N -1 0 345.342 3.963 20 0 EHADRM CCc1c([N-]S(=O)(=O)c2ccc(C)cc2)cnn1-c1ccccc1 ZINC000466478909 1129482533 /nfs/dbraw/zinc/48/25/33/1129482533.db2.gz MFWZJACRBQKVNZ-UHFFFAOYSA-N -1 0 341.436 3.544 20 0 EHADRM COC[C@@H](N=c1nc(-c2ccccc2)[n-]s1)c1ccc(F)cc1 ZINC000499832047 1129527520 /nfs/dbraw/zinc/52/75/20/1129527520.db2.gz UBXCTMJVNITRTE-OAHLLOKOSA-N -1 0 329.400 3.566 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000282383669 1129678214 /nfs/dbraw/zinc/67/82/14/1129678214.db2.gz CZJIADIEOLHQHD-GFCCVEGCSA-N -1 0 349.299 3.865 20 0 EHADRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC2 ZINC000509100967 1129745416 /nfs/dbraw/zinc/74/54/16/1129745416.db2.gz VPHYKPKHGMNNGR-UHFFFAOYSA-N -1 0 331.437 3.602 20 0 EHADRM CCCOc1cccnc1C(=O)Nc1nc(-c2cccs2)ns1 ZINC000429077102 1129745872 /nfs/dbraw/zinc/74/58/72/1129745872.db2.gz KDBGYMFJLCXKKX-UHFFFAOYSA-N -1 0 346.437 3.703 20 0 EHADRM CC(C)c1n[n-]c(=NCc2cnn(-c3ccc(Cl)cc3)c2)s1 ZINC000347793204 1129793658 /nfs/dbraw/zinc/79/36/58/1129793658.db2.gz LYSGQBSHXDTTAN-UHFFFAOYSA-N -1 0 333.848 3.535 20 0 EHADRM C[C@H](c1ccccc1)[C@H](C)NC(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC000673790202 1129845698 /nfs/dbraw/zinc/84/56/98/1129845698.db2.gz CBBBOICKLRRDAI-MPGHIAIKSA-N -1 0 325.408 3.553 20 0 EHADRM O=C([O-])c1ccc(Nc2csc(Br)n2)c(F)c1F ZINC001212510933 1129867780 /nfs/dbraw/zinc/86/77/80/1129867780.db2.gz KCOIZLJFMTUHLV-UHFFFAOYSA-N -1 0 335.129 3.626 20 0 EHADRM CCc1ccc([C@H](COC)NC(=O)c2ccc3[n-]c(=S)oc3c2)o1 ZINC000073971041 1129871208 /nfs/dbraw/zinc/87/12/08/1129871208.db2.gz YNYKHUZRGZHFHI-ZDUSSCGKSA-N -1 0 346.408 3.763 20 0 EHADRM Cn1cc(-c2ccc(Nc3ccc(C(=O)[O-])c(F)c3F)cc2)cn1 ZINC001212512565 1129921157 /nfs/dbraw/zinc/92/11/57/1129921157.db2.gz SDHRDDDVUMKSRQ-UHFFFAOYSA-N -1 0 329.306 3.807 20 0 EHADRM CC(C)c1nc2ccc(Nc3ccc(C(=O)[O-])c(F)c3F)cn2n1 ZINC001212512483 1129921352 /nfs/dbraw/zinc/92/13/52/1129921352.db2.gz ONEDTTLMMKZJQJ-UHFFFAOYSA-N -1 0 332.310 3.573 20 0 EHADRM CCOC(=O)c1cccc(Nc2ccc(C(=O)[O-])c(F)c2F)c1C ZINC001212514528 1129926841 /nfs/dbraw/zinc/92/68/41/1129926841.db2.gz XULDQWZJRVIDSQ-UHFFFAOYSA-N -1 0 335.306 3.892 20 0 EHADRM C[C@@H]1Cc2cc(Nc3ccc(C(=O)[O-])c(F)c3F)ccc2N(C)C1=O ZINC001212516883 1129929237 /nfs/dbraw/zinc/92/92/37/1129929237.db2.gz YQZUCZQEYWYKMZ-SECBINFHSA-N -1 0 346.333 3.562 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(C(F)F)o2)cnn1C1CCCC1 ZINC000606444639 1129962025 /nfs/dbraw/zinc/96/20/25/1129962025.db2.gz UZBQHIGJTPUCAV-UHFFFAOYSA-N -1 0 345.371 3.638 20 0 EHADRM CC(C)c1ccc(CCNC(=O)c2cc(F)c(F)c([O-])c2F)cc1 ZINC000543561409 1129975180 /nfs/dbraw/zinc/97/51/80/1129975180.db2.gz PJTWVPOZQMYWEJ-UHFFFAOYSA-N -1 0 337.341 3.905 20 0 EHADRM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccnn1[C@@H](C)C1CC1 ZINC000171342084 1130047717 /nfs/dbraw/zinc/04/77/17/1130047717.db2.gz FIVJXVHTAFEPFW-NSHDSACASA-N -1 0 339.848 3.617 20 0 EHADRM CCCN(CCc1cccc(F)c1)C(=O)c1s[n-]c(=O)c1Cl ZINC000670470397 1130057216 /nfs/dbraw/zinc/05/72/16/1130057216.db2.gz NAKQRYWCTUTJMG-UHFFFAOYSA-N -1 0 342.823 3.736 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2C3CCCC2CCC3)n1 ZINC000674362299 1130075582 /nfs/dbraw/zinc/07/55/82/1130075582.db2.gz MGUZLBHTEFTLRX-UHFFFAOYSA-N -1 0 343.402 3.573 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1cnc(-c2ccccn2)s1 ZINC000172357022 1130126836 /nfs/dbraw/zinc/12/68/36/1130126836.db2.gz WBHLKRHDJKXDMY-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM CC1=NN(c2ccc(C(=O)Nc3cccc(Cl)c3[O-])cc2)CC1 ZINC000172356497 1130126983 /nfs/dbraw/zinc/12/69/83/1130126983.db2.gz XCCBYTWUUQNWCC-UHFFFAOYSA-N -1 0 329.787 3.884 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N(C)[C@H]2CCCC[C@@H]2C)n1 ZINC000674603319 1130147640 /nfs/dbraw/zinc/14/76/40/1130147640.db2.gz BZGIEWGQRLLDLO-HOCLYGCPSA-N -1 0 341.455 3.791 20 0 EHADRM CSc1ccncc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000674715785 1130178956 /nfs/dbraw/zinc/17/89/56/1130178956.db2.gz VGWDIURMXFUXIE-UHFFFAOYSA-N -1 0 348.371 3.623 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)n1 ZINC000675296913 1130304726 /nfs/dbraw/zinc/30/47/26/1130304726.db2.gz BCYTXHGGIDQIIW-UHFFFAOYSA-N -1 0 328.846 3.566 20 0 EHADRM CCOc1c(F)cccc1Nc1ccc(Cl)cc1S(=O)(=O)[O-] ZINC001212536934 1130321033 /nfs/dbraw/zinc/32/10/33/1130321033.db2.gz MSFNTOBEMQFQNH-UHFFFAOYSA-N -1 0 345.779 3.868 20 0 EHADRM CC(/C=C\c1nc2ccccc2c(=O)n1CC(=O)[O-])=C/c1ccccc1 ZINC000675724804 1130463475 /nfs/dbraw/zinc/46/34/75/1130463475.db2.gz NAGRUDSQKOHVNP-CWENXQOLSA-N -1 0 346.386 3.598 20 0 EHADRM O=C([O-])CN(C(=O)[C@@H]1C[C@H]1c1ccccc1Cl)C1CCCCC1 ZINC000675994265 1130515562 /nfs/dbraw/zinc/51/55/62/1130515562.db2.gz XVNXVKAWROPNMB-LSDHHAIUSA-N -1 0 335.831 3.689 20 0 EHADRM Cc1cc(O[C@@H](C)C(=O)N2CCC[C@H](CC(=O)[O-])C2)ccc1C(C)C ZINC000676218339 1130546583 /nfs/dbraw/zinc/54/65/83/1130546583.db2.gz MUKMGXRXLJUTNJ-JKSUJKDBSA-N -1 0 347.455 3.599 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)c2cccc(OC3CCCCC3)c2)C1 ZINC000676217520 1130547013 /nfs/dbraw/zinc/54/70/13/1130547013.db2.gz YJLXSMJHLNPDTH-OAHLLOKOSA-N -1 0 345.439 3.725 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)c1 ZINC000731781497 1130845297 /nfs/dbraw/zinc/84/52/97/1130845297.db2.gz NAVUYASOPFLVKO-UHFFFAOYSA-N -1 0 334.416 3.535 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)c2n[n-]c3ccccc3c2=O)cc1 ZINC000731868765 1130856101 /nfs/dbraw/zinc/85/61/01/1130856101.db2.gz UEKFLMFMTXMOBU-QGZVFWFLSA-N -1 0 333.391 3.621 20 0 EHADRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)CCc1ccc(C(C)C)cc1 ZINC000732903465 1130971743 /nfs/dbraw/zinc/97/17/43/1130971743.db2.gz CMXIEHVZODACFJ-HNNXBMFYSA-N -1 0 339.501 3.625 20 0 EHADRM Cc1cc(C)cc(C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)c1 ZINC000348005273 1131125117 /nfs/dbraw/zinc/12/51/17/1131125117.db2.gz SFKCZYNNAVRXQN-UHFFFAOYSA-N -1 0 331.799 3.684 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)cc1 ZINC000348008320 1131126019 /nfs/dbraw/zinc/12/60/19/1131126019.db2.gz UXHBVHTUVGNSBS-GJZGRUSLSA-N -1 0 345.782 3.546 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000734079649 1131193951 /nfs/dbraw/zinc/19/39/51/1131193951.db2.gz SZVZYNXFINYJMG-ZDUSSCGKSA-N -1 0 343.876 3.751 20 0 EHADRM C[C@H]1CN(c2ccc(NC(=O)c3c([O-])cccc3Cl)cc2)CCO1 ZINC000736722205 1131431229 /nfs/dbraw/zinc/43/12/29/1131431229.db2.gz SVJHCTZINMDYCL-LBPRGKRZSA-N -1 0 346.814 3.523 20 0 EHADRM CCN(C(=O)C[C@H](C)c1ccccc1OC)c1cccc(C(=O)[O-])c1 ZINC000737833759 1131456527 /nfs/dbraw/zinc/45/65/27/1131456527.db2.gz HZOBTDSRIHXSOL-AWEZNQCLSA-N -1 0 341.407 3.940 20 0 EHADRM CCC(CC)CS(=O)(=O)[N-]C(=O)C[C@H](CC)c1ccc(C)cc1 ZINC000739187579 1131493380 /nfs/dbraw/zinc/49/33/80/1131493380.db2.gz RECUAJJWFAMAOT-INIZCTEOSA-N -1 0 339.501 3.761 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)CCC(C)(C)C)c1C ZINC000739142981 1131493395 /nfs/dbraw/zinc/49/33/95/1131493395.db2.gz MXRUZXNILVDTBR-UHFFFAOYSA-N -1 0 325.474 3.551 20 0 EHADRM CO[C@@H](CNC(=O)c1c(O)cccc1Cl)c1cccc(Cl)c1 ZINC000743757787 1131972760 /nfs/dbraw/zinc/97/27/60/1131972760.db2.gz WHEOSHCCNWENHO-AWEZNQCLSA-N -1 0 340.206 3.817 20 0 EHADRM CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000744006622 1132007410 /nfs/dbraw/zinc/00/74/10/1132007410.db2.gz OBPBHBXJCUBODN-GFCCVEGCSA-N -1 0 331.865 3.751 20 0 EHADRM Cc1cc(CO)cc(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)c1 ZINC001212757022 1132147074 /nfs/dbraw/zinc/14/70/74/1132147074.db2.gz UMOIYHTXVOMYEF-UHFFFAOYSA-N -1 0 343.404 3.631 20 0 EHADRM COc1ccc(OC)c(Nc2c(Cl)c(F)[n-]c(=O)c2Cl)c1 ZINC001173917736 1132173958 /nfs/dbraw/zinc/17/39/58/1132173958.db2.gz DLQJPCJUYKEJFM-UHFFFAOYSA-N -1 0 333.146 3.994 20 0 EHADRM Cc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2C)c2ccccc2n1 ZINC000181883121 1132175754 /nfs/dbraw/zinc/17/57/54/1132175754.db2.gz KAGCPMREOCOWKQ-LJQANCHMSA-N -1 0 348.402 3.797 20 0 EHADRM COc1ccc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)c(C)c1 ZINC001174024026 1132217787 /nfs/dbraw/zinc/21/77/87/1132217787.db2.gz SYWIWGKUQKHARF-UHFFFAOYSA-N -1 0 327.789 3.647 20 0 EHADRM COc1ccc2cc(Nc3nc[n-]c(=O)c3Br)ccc2c1 ZINC001174030477 1132219687 /nfs/dbraw/zinc/21/96/87/1132219687.db2.gz FYAZYDLDSSNETJ-UHFFFAOYSA-N -1 0 346.184 3.850 20 0 EHADRM O=C(c1cccc(Nc2cc(Cl)ccc2[S-])c1)N1CCOCC1 ZINC001174180263 1132270742 /nfs/dbraw/zinc/27/07/42/1132270742.db2.gz JFHXJHSEUGGFKL-UHFFFAOYSA-N -1 0 348.855 3.845 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2ccc(Br)cc2CO)c1 ZINC001174496881 1132371895 /nfs/dbraw/zinc/37/18/95/1132371895.db2.gz YKHDMIBQCGTYOB-QPJJXVBHSA-N -1 0 348.196 3.783 20 0 EHADRM COCCCOc1ccc(Nc2cccc(/C=C/C(=O)[O-])c2)cc1 ZINC001174496041 1132372313 /nfs/dbraw/zinc/37/23/13/1132372313.db2.gz APNFTAXRQAZHKQ-IZZDOVSWSA-N -1 0 327.380 3.943 20 0 EHADRM CCOC(=O)c1c(Nc2cccc(/C=C/C(=O)[O-])c2)ccn1CC ZINC001174495611 1132372433 /nfs/dbraw/zinc/37/24/33/1132372433.db2.gz RDECMVOXZNMNKJ-CMDGGOBGSA-N -1 0 328.368 3.526 20 0 EHADRM O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)c1ccc2[n-]c(=S)oc2c1 ZINC000746271008 1132399421 /nfs/dbraw/zinc/39/94/21/1132399421.db2.gz AMOVKFXJAAWIEQ-NOZJJQNGSA-N -1 0 346.358 3.681 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cc(F)ccc1OCC(F)F ZINC001174675991 1132432638 /nfs/dbraw/zinc/43/26/38/1132432638.db2.gz AEOSTDNYUSZSQT-UHFFFAOYSA-N -1 0 341.285 3.920 20 0 EHADRM COc1cccc(-c2cc(Nc3ccc(C(=O)[O-])c(OC)c3)on2)c1 ZINC001174681113 1132434725 /nfs/dbraw/zinc/43/47/25/1132434725.db2.gz LSIRLSSBOVPAMS-UHFFFAOYSA-N -1 0 340.335 3.801 20 0 EHADRM COc1cc(Nc2ccc(NC(C)=O)c(Cl)c2)ccc1C(=O)[O-] ZINC001174684958 1132435892 /nfs/dbraw/zinc/43/58/92/1132435892.db2.gz CNRKFIWZIYMTCM-UHFFFAOYSA-N -1 0 334.759 3.749 20 0 EHADRM Cc1c(F)cccc1Nc1c(O)cc(S(=O)(=O)[O-])c2ccccc21 ZINC001174669428 1132444385 /nfs/dbraw/zinc/44/43/85/1132444385.db2.gz WAXURRPMVOOZIX-UHFFFAOYSA-N -1 0 347.367 3.983 20 0 EHADRM CC(C)Oc1ccc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])cn1 ZINC001174764744 1132459280 /nfs/dbraw/zinc/45/92/80/1132459280.db2.gz YRACQFXQDOHMIG-UHFFFAOYSA-N -1 0 342.804 3.513 20 0 EHADRM Nc1ccc(-c2ccc(Nc3ccc(C(=O)[O-])s3)c(O)c2)cc1O ZINC001174806752 1132478117 /nfs/dbraw/zinc/47/81/17/1132478117.db2.gz DTEVGCJYWJVCRS-UHFFFAOYSA-N -1 0 342.376 3.850 20 0 EHADRM COc1cccc(-n2ncc(C)c2Nc2ccc(C(=O)[O-])s2)c1 ZINC001174807239 1132479120 /nfs/dbraw/zinc/47/91/20/1132479120.db2.gz KLZYOBWPEQPTGQ-UHFFFAOYSA-N -1 0 329.381 3.693 20 0 EHADRM CCOC(=O)c1cc(F)c(F)cc1Nc1ccc(C(=O)[O-])s1 ZINC001174807405 1132479375 /nfs/dbraw/zinc/47/93/75/1132479375.db2.gz KCVZTHAQTPVNTC-UHFFFAOYSA-N -1 0 327.308 3.645 20 0 EHADRM COc1cc(Br)c(O)c(Nc2ccc(C(=O)[O-])s2)c1 ZINC001174811092 1132479956 /nfs/dbraw/zinc/47/99/56/1132479956.db2.gz XGLNUAUKIOACLV-UHFFFAOYSA-N -1 0 344.186 3.667 20 0 EHADRM CC(C)(C)NC(=O)c1ccccc1Nc1ccc(CC(=O)[O-])cc1 ZINC001174952555 1132516290 /nfs/dbraw/zinc/51/62/90/1132516290.db2.gz VVLWIQFYUHEDAH-UHFFFAOYSA-N -1 0 326.396 3.586 20 0 EHADRM COc1cccc(Br)c1Nc1ccc(CC(=O)[O-])cc1 ZINC001174954976 1132517617 /nfs/dbraw/zinc/51/76/17/1132517617.db2.gz WDTMYERXMPWKRB-UHFFFAOYSA-N -1 0 336.185 3.828 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)C2(c3cccc(Cl)c3)CCC2)C1 ZINC000392013742 1132519703 /nfs/dbraw/zinc/51/97/03/1132519703.db2.gz PXAVQNDXLXDNSZ-CQSZACIVSA-N -1 0 349.858 3.865 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1ccnn1Cc1cccc(F)c1 ZINC001174981921 1132534189 /nfs/dbraw/zinc/53/41/89/1132534189.db2.gz RKGBLGKAZGVPNH-UHFFFAOYSA-N -1 0 325.343 3.821 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2c(F)ccc(F)c2F)c(Cl)c1 ZINC001175032209 1132542891 /nfs/dbraw/zinc/54/28/91/1132542891.db2.gz VUEZONMUJOSNHT-UHFFFAOYSA-N -1 0 337.706 3.748 20 0 EHADRM CCC[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1ccsc1 ZINC000766453191 1132545843 /nfs/dbraw/zinc/54/58/43/1132545843.db2.gz MRHLTWAQZNZYSB-CQSZACIVSA-N -1 0 343.514 3.940 20 0 EHADRM CN(c1ccc(C(=O)[O-])c(F)c1)c1c(N)cccc1Br ZINC001175159620 1132570429 /nfs/dbraw/zinc/57/04/29/1132570429.db2.gz ARKUHSLZQRCDDX-UHFFFAOYSA-N -1 0 339.164 3.637 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2c(F)cc(F)cc2F)c(Cl)c1 ZINC001175145909 1132580343 /nfs/dbraw/zinc/58/03/43/1132580343.db2.gz ADOFNQUGQIGAAJ-UHFFFAOYSA-N -1 0 337.706 3.748 20 0 EHADRM COc1ncc(Nc2ccc(F)c(C(=O)[O-])c2)cc1C(F)(F)F ZINC001175216547 1132598075 /nfs/dbraw/zinc/59/80/75/1132598075.db2.gz CXXNRFWBPNLCSA-UHFFFAOYSA-N -1 0 330.237 3.690 20 0 EHADRM O=C([O-])c1cc(Nc2ccc(OCC(F)(F)F)nc2)ccc1F ZINC001175217181 1132598222 /nfs/dbraw/zinc/59/82/22/1132598222.db2.gz PSVFRRYITZOKQS-UHFFFAOYSA-N -1 0 330.237 3.604 20 0 EHADRM O=C([O-])c1cc(Nc2ccc(OC3CCOCC3)c(F)c2)ccc1F ZINC001175223226 1132599716 /nfs/dbraw/zinc/59/97/16/1132599716.db2.gz HPLYMEFLNVVYSZ-UHFFFAOYSA-N -1 0 349.333 3.964 20 0 EHADRM COC(=O)c1cc(C)sc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175316055 1132635799 /nfs/dbraw/zinc/63/57/99/1132635799.db2.gz IDAYOIKXOTVHHZ-UHFFFAOYSA-N -1 0 325.773 3.938 20 0 EHADRM CCOC(=O)CCc1cncc(Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001175315925 1132635981 /nfs/dbraw/zinc/63/59/81/1132635981.db2.gz SSXCIWDSXHSOJU-UHFFFAOYSA-N -1 0 348.786 3.673 20 0 EHADRM CCOC(=O)Cc1cccc(Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001175320705 1132638003 /nfs/dbraw/zinc/63/80/03/1132638003.db2.gz JVKGZCVDTBRJMZ-UHFFFAOYSA-N -1 0 333.771 3.887 20 0 EHADRM COC(=O)c1ccc(Nc2ccc(C(=O)[O-])c(Cl)c2)c(C(C)=O)c1 ZINC001175320549 1132638078 /nfs/dbraw/zinc/63/80/78/1132638078.db2.gz SDLGDMUOSZVKPB-UHFFFAOYSA-N -1 0 347.754 3.771 20 0 EHADRM COC(=O)c1c(F)ccc(F)c1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175319962 1132638104 /nfs/dbraw/zinc/63/81/04/1132638104.db2.gz KPQQRATVNHNBPA-UHFFFAOYSA-N -1 0 341.697 3.847 20 0 EHADRM CC1(C)C(=O)NCc2cccc(Nc3ccc(C(=O)[O-])c(Cl)c3)c21 ZINC001175321594 1132638178 /nfs/dbraw/zinc/63/81/78/1132638178.db2.gz WZCWZJIDEMQIHB-UHFFFAOYSA-N -1 0 344.798 3.689 20 0 EHADRM COc1ccc(-c2nnsc2Nc2cccc(C(=O)[O-])c2)cc1 ZINC001175327418 1132638928 /nfs/dbraw/zinc/63/89/28/1132638928.db2.gz LFGVBQGFLDKETO-UHFFFAOYSA-N -1 0 327.365 3.656 20 0 EHADRM COC(Cc1ccc(Nc2ccc(C(=O)[O-])c(Cl)c2)cc1)OC ZINC001175321801 1132639044 /nfs/dbraw/zinc/63/90/44/1132639044.db2.gz ZPPPPNHDBQVNTR-UHFFFAOYSA-N -1 0 335.787 3.943 20 0 EHADRM Cc1cc(Nc2cccc(C(=O)[O-])c2)n(Cc2ccccc2F)n1 ZINC001175329420 1132639946 /nfs/dbraw/zinc/63/99/46/1132639946.db2.gz WBRLFCVSGHZETC-UHFFFAOYSA-N -1 0 325.343 3.821 20 0 EHADRM COC(=O)c1cccc2nc(Nc3cccc(C(=O)[O-])c3)sc21 ZINC001175329402 1132640500 /nfs/dbraw/zinc/64/05/00/1132640500.db2.gz ZPSLSQDDBPDZEG-UHFFFAOYSA-N -1 0 328.349 3.525 20 0 EHADRM CCOC(=O)CCc1ccc(Nc2cccc(C(=O)[O-])c2)cc1F ZINC001175335020 1132641897 /nfs/dbraw/zinc/64/18/97/1132641897.db2.gz PKZOHJVALYAGBZ-UHFFFAOYSA-N -1 0 331.343 3.763 20 0 EHADRM COc1cccnc1CCC(=O)Nc1ccc2[n-]c(=S)sc2c1 ZINC001175499378 1132691135 /nfs/dbraw/zinc/69/11/35/1132691135.db2.gz IZGKPSXMTKUMFP-UHFFFAOYSA-N -1 0 345.449 3.560 20 0 EHADRM C[C@H]1CCCC[C@@H]1CC(=O)Nc1nccc(Br)c1[O-] ZINC001169382799 1132743589 /nfs/dbraw/zinc/74/35/89/1132743589.db2.gz KAQSXMWCVKSOLI-VHSXEESVSA-N -1 0 327.222 3.705 20 0 EHADRM CCOc1ccc(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)cn1 ZINC001175742186 1132750171 /nfs/dbraw/zinc/75/01/71/1132750171.db2.gz YBMVHKQKBNCCGI-UHFFFAOYSA-N -1 0 344.392 3.624 20 0 EHADRM Cc1nc2scc(-c3ccccc3)c2c(NCc2cc(=O)[n-]o2)n1 ZINC001169481531 1132764463 /nfs/dbraw/zinc/76/44/63/1132764463.db2.gz HBEBZIIEMCEPOY-UHFFFAOYSA-N -1 0 338.392 3.972 20 0 EHADRM O=C([O-])c1cncc(Nc2ccc(-c3nc4ncccc4o3)cc2)c1 ZINC001175842899 1132773319 /nfs/dbraw/zinc/77/33/19/1132773319.db2.gz TWZZCLJHVGUOAF-UHFFFAOYSA-N -1 0 332.319 3.727 20 0 EHADRM CC(C)(C)OC(=O)c1ccc(F)c(Nc2cncc(C(=O)[O-])c2)c1 ZINC001175843468 1132773410 /nfs/dbraw/zinc/77/34/10/1132773410.db2.gz QJJBPWBUNKEMND-UHFFFAOYSA-N -1 0 332.331 3.618 20 0 EHADRM CCOc1ccc2ccccc2c1[N-]S(=O)(=O)c1ccc(N)cc1 ZINC001175979756 1132804990 /nfs/dbraw/zinc/80/49/90/1132804990.db2.gz GQOJPFUIBANFSV-UHFFFAOYSA-N -1 0 342.420 3.622 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1c(C(F)F)nc2n1CCCC2 ZINC000867012171 1132890532 /nfs/dbraw/zinc/89/05/32/1132890532.db2.gz BTUXFBSDGIFNRQ-UHFFFAOYSA-N -1 0 341.745 3.768 20 0 EHADRM COC(=O)c1cnc2ccc(Nc3csc(C(=O)[O-])c3)cc2c1 ZINC001176440270 1132929543 /nfs/dbraw/zinc/92/95/43/1132929543.db2.gz KSDQBNUXTYSXQI-UHFFFAOYSA-N -1 0 328.349 3.525 20 0 EHADRM CC(C)Oc1ccccc1CC(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000767093324 1132948498 /nfs/dbraw/zinc/94/84/98/1132948498.db2.gz VPCKOYIZLHOTIU-XFXZXTDPSA-N -1 0 339.391 3.753 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3cnn(Cc4ccccc4)c3)cc2)CC1 ZINC001176581982 1132959654 /nfs/dbraw/zinc/95/96/54/1132959654.db2.gz UGYALQSVYKYRCB-UHFFFAOYSA-N -1 0 333.391 3.791 20 0 EHADRM COC(=O)c1c(C)scc1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176584970 1132960588 /nfs/dbraw/zinc/96/05/88/1132960588.db2.gz WGSOKAYWTLPNDY-UHFFFAOYSA-N -1 0 331.393 3.703 20 0 EHADRM CCOC(=O)c1ccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c(F)c1 ZINC001176587354 1132960858 /nfs/dbraw/zinc/96/08/58/1132960858.db2.gz YOCASONRJOVBOK-UHFFFAOYSA-N -1 0 343.354 3.862 20 0 EHADRM COC(=O)c1ccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c(F)c1F ZINC001176588107 1132961813 /nfs/dbraw/zinc/96/18/13/1132961813.db2.gz IDDHEIXAEWISRJ-UHFFFAOYSA-N -1 0 347.317 3.611 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3cccc4c3CN(C3CC3)C4=O)cc2)CC1 ZINC001176587719 1132961975 /nfs/dbraw/zinc/96/19/75/1132961975.db2.gz BAGUNMRPOFCXBA-UHFFFAOYSA-N -1 0 348.402 3.665 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3cnccc3OC(F)(F)F)cc2)CC1 ZINC001176587439 1132962021 /nfs/dbraw/zinc/96/20/21/1132962021.db2.gz ZNCXRLBPHHNRBM-UHFFFAOYSA-N -1 0 338.285 3.840 20 0 EHADRM Nc1cc(Cl)cc2ccn(-c3ccc(C4(C(=O)[O-])CC4)cc3)c21 ZINC001176589358 1132962507 /nfs/dbraw/zinc/96/25/07/1132962507.db2.gz VDWBFTUNIMOLLH-UHFFFAOYSA-N -1 0 326.783 3.982 20 0 EHADRM COc1cc(Nc2ccc(C=CC(=O)[O-])cc2)c(C(C)=O)cc1OC ZINC001176593222 1132963251 /nfs/dbraw/zinc/96/32/51/1132963251.db2.gz VRNNPRRFMREOOQ-RMKNXTFCSA-N -1 0 341.363 3.748 20 0 EHADRM Cc1nc(Nc2ccc(/C=C/C(=O)[O-])cc2)c(N)cc1Br ZINC001176594473 1132963497 /nfs/dbraw/zinc/96/34/97/1132963497.db2.gz SAGNEZPAURJNKU-QPJJXVBHSA-N -1 0 348.200 3.576 20 0 EHADRM COC(=O)Cc1cc(Nc2ccc(/C=C/C(=O)[O-])cc2)ccc1C ZINC001176596750 1132964032 /nfs/dbraw/zinc/96/40/32/1132964032.db2.gz BEZNDKKCPZXGAQ-UXBLZVDNSA-N -1 0 325.364 3.552 20 0 EHADRM O=S(=O)([O-])c1cccc(Nc2ccc(OC(F)(F)F)cc2)c1 ZINC001176641916 1132975380 /nfs/dbraw/zinc/97/53/80/1132975380.db2.gz PKMAMUGGPJJLPV-UHFFFAOYSA-N -1 0 333.287 3.576 20 0 EHADRM CCOc1cc(Nc2c(Cl)c(F)[n-]c(=O)c2Cl)c(F)cn1 ZINC001176599287 1132976177 /nfs/dbraw/zinc/97/61/77/1132976177.db2.gz CTQFTZXYLBYXFD-UHFFFAOYSA-N -1 0 336.125 3.910 20 0 EHADRM CC(C)Oc1ncccc1Nc1ccc(S(=O)(=O)[O-])cc1Cl ZINC001176738329 1132989538 /nfs/dbraw/zinc/98/95/38/1132989538.db2.gz XSMWYXFKTPXMQV-UHFFFAOYSA-N -1 0 342.804 3.513 20 0 EHADRM COc1ccccc1Cn1nc(C)cc1Nc1ccc(C(=O)[O-])cc1 ZINC001176707940 1132994375 /nfs/dbraw/zinc/99/43/75/1132994375.db2.gz OWOFDQMDGFTOLY-UHFFFAOYSA-N -1 0 337.379 3.690 20 0 EHADRM O=C([O-])c1ccc(Nc2cnc3ccc(Br)cn23)cc1 ZINC001176711013 1132995010 /nfs/dbraw/zinc/99/50/10/1132995010.db2.gz LIRVJTGMPYBSMQ-UHFFFAOYSA-N -1 0 332.157 3.539 20 0 EHADRM COc1cc(Br)c(O)c(Nc2ccc(C(=O)[O-])cc2)c1 ZINC001176712708 1132995261 /nfs/dbraw/zinc/99/52/61/1132995261.db2.gz QBUZYULOHNFBTR-UHFFFAOYSA-N -1 0 338.157 3.605 20 0 EHADRM CC(C)(C)OC(=O)c1ccc(Nc2ccc(C(=O)[O-])cc2)c(O)c1 ZINC001176713696 1132995356 /nfs/dbraw/zinc/99/53/56/1132995356.db2.gz MAYUISZMILSHCE-UHFFFAOYSA-N -1 0 329.352 3.789 20 0 EHADRM COC(=O)c1cc(Cl)c(Nc2ccc(C(=O)[O-])cc2)cc1OC ZINC001176713807 1132995881 /nfs/dbraw/zinc/99/58/81/1132995881.db2.gz QYWWUDSABFLYMR-UHFFFAOYSA-N -1 0 335.743 3.577 20 0 EHADRM O=C([N-][C@H](Cc1ccc(Cl)cc1)c1ccccn1)C(F)(F)F ZINC000767990040 1133079685 /nfs/dbraw/zinc/07/96/85/1133079685.db2.gz KIYVUTXERMKYJX-CYBMUJFWSA-N -1 0 328.721 3.697 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)n1 ZINC000768016776 1133083940 /nfs/dbraw/zinc/08/39/40/1133083940.db2.gz UINZLAPEBSKPHD-UHFFFAOYSA-N -1 0 334.466 3.825 20 0 EHADRM O=C([N-][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)C(F)(F)F ZINC000804363387 1133091354 /nfs/dbraw/zinc/09/13/54/1133091354.db2.gz FDKYBUAWZRQVDB-SNVBAGLBSA-N -1 0 327.224 3.715 20 0 EHADRM CC(=O)c1cc(F)c([O-])c(NC(=O)[C@@]2(C)CCCc3ccccc32)c1 ZINC001178428789 1133168365 /nfs/dbraw/zinc/16/83/65/1133168365.db2.gz QGECODOWWVYKDU-FQEVSTJZSA-N -1 0 341.382 3.967 20 0 EHADRM CCC(=O)c1ccc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)cc1 ZINC000769249172 1133251215 /nfs/dbraw/zinc/25/12/15/1133251215.db2.gz USOZWURPBYSCEQ-UHFFFAOYSA-N -1 0 326.377 3.962 20 0 EHADRM COC(=O)c1cc(C)cc(NC(=O)c2cc(F)c([O-])c(Cl)c2)c1 ZINC001179483147 1133254296 /nfs/dbraw/zinc/25/42/96/1133254296.db2.gz SSBXXWKVSXFKOB-UHFFFAOYSA-N -1 0 337.734 3.532 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)c3c([O-])cccc3Cl)c2)no1 ZINC000769730986 1133329449 /nfs/dbraw/zinc/32/94/49/1133329449.db2.gz YTBIPDYYELLXRU-UHFFFAOYSA-N -1 0 329.743 3.656 20 0 EHADRM O=C([O-])C1(C(=O)N2CCC[C@@H]2c2cc3ccccc3[nH]2)CCCCC1 ZINC001180435958 1133369724 /nfs/dbraw/zinc/36/97/24/1133369724.db2.gz QDEHCYOVQCHRSB-QGZVFWFLSA-N -1 0 340.423 3.867 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCCCC1 ZINC001180439516 1133370347 /nfs/dbraw/zinc/37/03/47/1133370347.db2.gz YLOQNRYSHSPBSJ-UHFFFAOYSA-N -1 0 347.745 3.915 20 0 EHADRM O=C(Nc1ccc(CO)cc1)c1cc(Cl)c2ccccc2c1[O-] ZINC000770529869 1133442578 /nfs/dbraw/zinc/44/25/78/1133442578.db2.gz ZYPZMNJKLFPMLP-UHFFFAOYSA-N -1 0 327.767 3.943 20 0 EHADRM CCN(Cc1nc2c(s1)C[C@H](C)CC2)C(=O)c1c([O-])cccc1F ZINC001181211895 1133469501 /nfs/dbraw/zinc/46/95/01/1133469501.db2.gz FBDNSQSENGCZTF-LLVKDONJSA-N -1 0 348.443 3.775 20 0 EHADRM CCC(CC)n1ccc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)n1 ZINC000771048348 1133506354 /nfs/dbraw/zinc/50/63/54/1133506354.db2.gz QJVDQTMKDLFEQR-UHFFFAOYSA-N -1 0 330.413 3.926 20 0 EHADRM Cc1nc2sccn2c1-c1noc(-c2cccc(Cl)c2[O-])n1 ZINC000771523543 1133570118 /nfs/dbraw/zinc/57/01/18/1133570118.db2.gz AMHUGQSYLLRQHK-UHFFFAOYSA-N -1 0 332.772 3.780 20 0 EHADRM Cc1cc(S(=O)(=O)Nc2ccc(C3CC3)cc2)cc(C(=O)[O-])c1F ZINC000771609694 1133576938 /nfs/dbraw/zinc/57/69/38/1133576938.db2.gz RYJIXCZHLOXWMV-UHFFFAOYSA-N -1 0 349.383 3.511 20 0 EHADRM CC(C)Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCCC2(C)C)cc1 ZINC000774408411 1133673349 /nfs/dbraw/zinc/67/33/49/1133673349.db2.gz CEJONLDYDZHWFJ-MRXNPFEDSA-N -1 0 337.485 3.516 20 0 EHADRM O=C(Nc1c(Cl)ccc([O-])c1Cl)[C@@H]1CCCN1CC1CC1 ZINC001182558096 1133696306 /nfs/dbraw/zinc/69/63/06/1133696306.db2.gz QOHRPERCDLGYJL-NSHDSACASA-N -1 0 329.227 3.512 20 0 EHADRM O=C(Cc1ccc2[nH]cnc2c1)Nc1c(Cl)ccc([O-])c1Cl ZINC001182843481 1133735052 /nfs/dbraw/zinc/73/50/52/1133735052.db2.gz GWJOSAKBKDPPGU-UHFFFAOYSA-N -1 0 336.178 3.757 20 0 EHADRM C[C@H](NC(=O)c1c([O-])cc(F)cc1F)c1c(F)cccc1Cl ZINC001182902905 1133747589 /nfs/dbraw/zinc/74/75/89/1133747589.db2.gz PIGLKJOOSHHFKI-ZETCQYMHSA-N -1 0 329.705 3.954 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)Nc2cccc(C)c2F)n1 ZINC001183070024 1133765449 /nfs/dbraw/zinc/76/54/49/1133765449.db2.gz OICBFNQNXVPBKI-UHFFFAOYSA-N -1 0 339.370 3.840 20 0 EHADRM CCc1cc(C(=O)OC)c(NC(=O)Cc2ccc([S-])cc2)s1 ZINC001183186859 1133776991 /nfs/dbraw/zinc/77/69/91/1133776991.db2.gz XEPHQBGSEUHABV-UHFFFAOYSA-N -1 0 335.450 3.567 20 0 EHADRM C[C@H](CCNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)CC(C)(C)C ZINC000786005237 1133790856 /nfs/dbraw/zinc/79/08/56/1133790856.db2.gz VOXZCWNNWYADFQ-LLVKDONJSA-N -1 0 347.484 3.816 20 0 EHADRM O=C(Nc1cccc(C(F)(F)F)c1O)C1(c2ccc(O)cc2)CC1 ZINC001183344208 1133796791 /nfs/dbraw/zinc/79/67/91/1133796791.db2.gz IEVCFFVBUCORNN-UHFFFAOYSA-N -1 0 337.297 3.787 20 0 EHADRM CC[C@H]1CCCC[C@H]1CNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC001183610234 1133827563 /nfs/dbraw/zinc/82/75/63/1133827563.db2.gz GBJVIMPVJQLKOV-AAEUAGOBSA-N -1 0 345.468 3.570 20 0 EHADRM CN(C)C(=O)c1cc(-c2cc(Cl)c([O-])c(Cl)c2)cnc1F ZINC001242855917 1133851346 /nfs/dbraw/zinc/85/13/46/1133851346.db2.gz YTOOUJMLFBKCOV-UHFFFAOYSA-N -1 0 329.158 3.602 20 0 EHADRM O=C(CCOc1ccccc1)NOC/C=C\c1ccc(Cl)cc1 ZINC000786741474 1133893984 /nfs/dbraw/zinc/89/39/84/1133893984.db2.gz NPPZFSJBARYUMJ-PLNGDYQASA-N -1 0 331.799 3.870 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2cccc3sccc32)cc1C(=O)[O-] ZINC001184698928 1133977045 /nfs/dbraw/zinc/97/70/45/1133977045.db2.gz LJNKQIHQFKWWTH-UHFFFAOYSA-N -1 0 347.417 3.709 20 0 EHADRM Cc1ccc(O[C@H](C)C(=O)[N-]OC2CCCC2)c(Br)c1 ZINC000774866306 1134076520 /nfs/dbraw/zinc/07/65/20/1134076520.db2.gz AZPMKDUWTMFNLG-LLVKDONJSA-N -1 0 342.233 3.515 20 0 EHADRM COc1ccccc1[C@H]1C[C@H]1C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000788090955 1134078756 /nfs/dbraw/zinc/07/87/56/1134078756.db2.gz WZJYJYILOPUISI-HZPDHXFCSA-N -1 0 339.391 3.752 20 0 EHADRM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185421074 1134081416 /nfs/dbraw/zinc/08/14/16/1134081416.db2.gz GTPOYODPTSAGKS-UHFFFAOYSA-N -1 0 333.434 3.503 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cc3ccccc3s2)n(CC2CC2)n1 ZINC001185429716 1134084104 /nfs/dbraw/zinc/08/41/04/1134084104.db2.gz PPTPFRKHIWJURT-UHFFFAOYSA-N -1 0 347.465 3.617 20 0 EHADRM O=S(=O)([N-]c1ccnc(C2CC2)c1)c1cc2ccccc2s1 ZINC001185432915 1134085061 /nfs/dbraw/zinc/08/50/61/1134085061.db2.gz IQKDPWMJYQFOIM-UHFFFAOYSA-N -1 0 330.434 3.975 20 0 EHADRM O=C(C=C([O-])c1ccccc1Cl)N[C@H]1CCCc2cccnc21 ZINC001185434919 1134085820 /nfs/dbraw/zinc/08/58/20/1134085820.db2.gz AHOBVXACHLTUCP-HNNXBMFYSA-N -1 0 328.799 3.502 20 0 EHADRM CC(=O)c1cc([N-]S(=O)(=O)c2cc3ccccc3s2)cnc1C ZINC001185434612 1134085827 /nfs/dbraw/zinc/08/58/27/1134085827.db2.gz ZCNNXWQLBCQTIP-UHFFFAOYSA-N -1 0 346.433 3.608 20 0 EHADRM O=C(C=C([O-])c1ccccc1Cl)N[C@H](c1ncccc1F)C1CC1 ZINC001185444478 1134086828 /nfs/dbraw/zinc/08/68/28/1134086828.db2.gz VNCONBLRGDCMSI-KRWDZBQOSA-N -1 0 346.789 3.714 20 0 EHADRM O=S(=O)([N-]c1ccc2ocnc2c1)c1cc2ccccc2s1 ZINC001185454084 1134089933 /nfs/dbraw/zinc/08/99/33/1134089933.db2.gz JXHLMLIBSICWNF-UHFFFAOYSA-N -1 0 330.390 3.843 20 0 EHADRM Cn1cc2cccc([N-]S(=O)(=O)c3cc4ccccc4s3)c2n1 ZINC001185460776 1134091905 /nfs/dbraw/zinc/09/19/05/1134091905.db2.gz VUDCNODSDWGLCY-UHFFFAOYSA-N -1 0 343.433 3.589 20 0 EHADRM CN1CCc2cc([N-]S(=O)(=O)c3cc4ccccc4s3)ccc21 ZINC001185464250 1134092717 /nfs/dbraw/zinc/09/27/17/1134092717.db2.gz PSYVQFXUOAHDAD-UHFFFAOYSA-N -1 0 344.461 3.694 20 0 EHADRM CC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC001185829560 1134138560 /nfs/dbraw/zinc/13/85/60/1134138560.db2.gz UERBJLBFUHXNRS-UHFFFAOYSA-N -1 0 341.791 3.791 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(F)c1OC(C)C ZINC001185837087 1134138974 /nfs/dbraw/zinc/13/89/74/1134138974.db2.gz UNLDEUMTRFAPIZ-UHFFFAOYSA-N -1 0 341.379 3.861 20 0 EHADRM COc1ncc(NC(=O)c2cccc([S-])c2)cc1C(F)(F)F ZINC001186130441 1134172053 /nfs/dbraw/zinc/17/20/53/1134172053.db2.gz UBKJVDFSZNYFTD-UHFFFAOYSA-N -1 0 328.315 3.650 20 0 EHADRM COc1cc(F)cc([N-]S(=O)(=O)c2csc3ccccc32)c1 ZINC001186499608 1134223254 /nfs/dbraw/zinc/22/32/54/1134223254.db2.gz ZPMVJKJCXWOWBB-UHFFFAOYSA-N -1 0 337.397 3.850 20 0 EHADRM O=S(=O)([N-]c1ccoc1)c1ccc(OCc2ccccc2)cc1 ZINC001186635538 1134240907 /nfs/dbraw/zinc/24/09/07/1134240907.db2.gz NCWWWQQLFARCTG-UHFFFAOYSA-N -1 0 329.377 3.659 20 0 EHADRM CSc1ccccc1NC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001186754054 1134252174 /nfs/dbraw/zinc/25/21/74/1134252174.db2.gz RHVGVBFDYLJVHD-UHFFFAOYSA-N -1 0 340.408 3.944 20 0 EHADRM Cc1c(C)c(NC(=O)c2cc(F)c(F)c([O-])c2F)c(C)c(C)c1N ZINC001186780306 1134256866 /nfs/dbraw/zinc/25/68/66/1134256866.db2.gz SDYZHKOWAXSVAR-UHFFFAOYSA-N -1 0 338.329 3.878 20 0 EHADRM Cc1c(=O)[nH]n(-c2ccccc2)c1NC(=O)NCC1CCCCC1 ZINC001186897692 1134268421 /nfs/dbraw/zinc/26/84/21/1134268421.db2.gz HIONHTWDVMINQJ-UHFFFAOYSA-N -1 0 328.416 3.588 20 0 EHADRM COc1ccc(-c2ccccc2[N-]S(=O)(=O)c2ccco2)cc1 ZINC001186855911 1134269735 /nfs/dbraw/zinc/26/97/35/1134269735.db2.gz HRSWYHVWKFUSDG-UHFFFAOYSA-N -1 0 329.377 3.756 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(=O)[n-]c(Cl)n1 ZINC001187126128 1134300920 /nfs/dbraw/zinc/30/09/20/1134300920.db2.gz YAHNZSAPPZFPSG-UHFFFAOYSA-N -1 0 333.562 3.786 20 0 EHADRM Cc1ncc(Cl)cc1[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187180990 1134306204 /nfs/dbraw/zinc/30/62/04/1134306204.db2.gz HBRVDYQNPATLAU-UHFFFAOYSA-N -1 0 342.873 3.785 20 0 EHADRM CCNC(=O)Nc1cccc(NC(=O)c2c([O-])cccc2Cl)c1C ZINC000790129735 1134372149 /nfs/dbraw/zinc/37/21/49/1134372149.db2.gz QRZBPVXTCONKIE-UHFFFAOYSA-N -1 0 347.802 3.748 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)N=NC2)c1ccc(Cl)nc1Cl ZINC001187973181 1134405970 /nfs/dbraw/zinc/40/59/70/1134405970.db2.gz YVAOYVXVXIFMSY-UHFFFAOYSA-N -1 0 343.195 3.787 20 0 EHADRM COc1ccc(Cl)c(CSCCC[N-]C(=O)C(F)(F)F)c1 ZINC000790574698 1134442332 /nfs/dbraw/zinc/44/23/32/1134442332.db2.gz YYWMWWQIPSEKPH-UHFFFAOYSA-N -1 0 341.782 3.650 20 0 EHADRM O=S(=O)(/C=C\c1ccc(Cl)cc1)[N-]c1nccc2ccncc21 ZINC000790644032 1134450717 /nfs/dbraw/zinc/45/07/17/1134450717.db2.gz MWDNQDUSLFCWSL-YFHOEESVSA-N -1 0 345.811 3.696 20 0 EHADRM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1nccc2ccncc21 ZINC000790644368 1134451101 /nfs/dbraw/zinc/45/11/01/1134451101.db2.gz PKDIHGJELDFUDB-UHFFFAOYSA-N -1 0 341.436 3.728 20 0 EHADRM O=C(Nc1cc(O)cc(Cl)c1)c1cccc(-c2ncccn2)c1 ZINC001188423110 1134460992 /nfs/dbraw/zinc/46/09/92/1134460992.db2.gz XXHVJXBSQBQGKN-UHFFFAOYSA-N -1 0 325.755 3.755 20 0 EHADRM CC(C)(C)COc1ccc(F)cc1[N-]S(=O)(=O)c1ccoc1 ZINC001188614267 1134482391 /nfs/dbraw/zinc/48/23/91/1134482391.db2.gz QLRLZPISTFGMOC-UHFFFAOYSA-N -1 0 327.377 3.644 20 0 EHADRM Cc1cc2c(cn1)[C@@H](NC(=O)c1ccc([O-])c(C(F)(F)F)c1)CC2 ZINC001188587879 1134485286 /nfs/dbraw/zinc/48/52/86/1134485286.db2.gz CHABPBVSQOXWCL-AWEZNQCLSA-N -1 0 336.313 3.532 20 0 EHADRM O=C(OCc1ncc(-c2cccc(F)c2)o1)c1c(O)cc(F)cc1F ZINC000746968525 1134503592 /nfs/dbraw/zinc/50/35/92/1134503592.db2.gz DZFDCCSQSOTCQT-UHFFFAOYSA-N -1 0 349.264 3.822 20 0 EHADRM Cc1nsc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)n1 ZINC001188801597 1134509946 /nfs/dbraw/zinc/50/99/46/1134509946.db2.gz FOIQWJVOKZVZPH-UHFFFAOYSA-N -1 0 345.405 3.547 20 0 EHADRM C[C@]([N-]S(=O)(=O)C1=Cc2ccccc2CC1)(C1CC1)C(F)(F)F ZINC000775210316 1134525325 /nfs/dbraw/zinc/52/53/25/1134525325.db2.gz UAAKPGJGHJCWCC-HNNXBMFYSA-N -1 0 345.386 3.624 20 0 EHADRM Cn1nc(C(C)(C)C)cc1C(=O)Nc1c(Cl)ccc([O-])c1Cl ZINC001189037119 1134534992 /nfs/dbraw/zinc/53/49/92/1134534992.db2.gz KNGZQMNJZRCYAI-UHFFFAOYSA-N -1 0 342.226 3.982 20 0 EHADRM Cc1cc(-n2ccnc2)ccc1COC(=O)c1c(F)cc([O-])cc1F ZINC000791384461 1134538150 /nfs/dbraw/zinc/53/81/50/1134538150.db2.gz FRMMXAVVORQMLE-UHFFFAOYSA-N -1 0 344.317 3.522 20 0 EHADRM O=C(Nc1c(Cl)ccc([O-])c1Cl)c1cc(-c2ccncc2)[nH]n1 ZINC001189325527 1134571615 /nfs/dbraw/zinc/57/16/15/1134571615.db2.gz XVIYHTICWLJTEK-UHFFFAOYSA-N -1 0 349.177 3.736 20 0 EHADRM CC(C)(C)n1cc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)cn1 ZINC001189355043 1134580074 /nfs/dbraw/zinc/58/00/74/1134580074.db2.gz FIXWYQRONJYRMY-UHFFFAOYSA-N -1 0 347.415 3.731 20 0 EHADRM CCCC(=CC(=O)[N-]S(=O)(=O)c1cc(C)c(C)s1)CCC ZINC000775290696 1134615276 /nfs/dbraw/zinc/61/52/76/1134615276.db2.gz ZRRZTVKRGOZVSS-UHFFFAOYSA-N -1 0 329.487 3.696 20 0 EHADRM CC(C)(C)C(=O)Nc1cnccc1C(=O)Nc1ccccc1[S-] ZINC001189767161 1134624841 /nfs/dbraw/zinc/62/48/41/1134624841.db2.gz JENDLOFEUYJMQS-UHFFFAOYSA-N -1 0 329.425 3.607 20 0 EHADRM CCCn1ccc(C(=O)[N-]c2c(SC)cc(C)nc2SC)n1 ZINC001189813507 1134629625 /nfs/dbraw/zinc/62/96/25/1134629625.db2.gz FRHKBHWWSOHSND-UHFFFAOYSA-N -1 0 336.486 3.693 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ncccc2N(C)C)cc1 ZINC001190432175 1134699359 /nfs/dbraw/zinc/69/93/59/1134699359.db2.gz QVYZRWBEECZWDO-UHFFFAOYSA-N -1 0 347.484 3.636 20 0 EHADRM CC(F)(F)c1ccc(C(=O)Nc2cc(=O)n(-c3ccccc3)[nH]2)cc1 ZINC001190503900 1134707721 /nfs/dbraw/zinc/70/77/21/1134707721.db2.gz NDOGDOJTFSQSEH-UHFFFAOYSA-N -1 0 343.333 3.942 20 0 EHADRM O=C([O-])c1ccc(N[C@H]2C[C@@H]2c2ccc(-c3cccc(O)c3)cc2)nn1 ZINC001170252380 1134732383 /nfs/dbraw/zinc/73/23/83/1134732383.db2.gz WLKOQSQNKDVFQE-AEFFLSMTSA-N -1 0 347.374 3.515 20 0 EHADRM O=C(OCc1csc(-c2ccccn2)n1)c1cc([S-])ccc1F ZINC000798723614 1134757235 /nfs/dbraw/zinc/75/72/35/1134757235.db2.gz VYQTXTFOUQUWME-UHFFFAOYSA-N -1 0 346.408 3.990 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cccnc2C2CC2)c1 ZINC001191154256 1134802968 /nfs/dbraw/zinc/80/29/68/1134802968.db2.gz UGINJJROFLHIEK-UHFFFAOYSA-N -1 0 339.420 3.616 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(C)c(F)c(F)c2)c1 ZINC001191196137 1134813734 /nfs/dbraw/zinc/81/37/34/1134813734.db2.gz HDCYGWZVFUSHEI-UHFFFAOYSA-N -1 0 348.374 3.931 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cnn(C(C)(C)C)c2)cc1 ZINC001191225027 1134830804 /nfs/dbraw/zinc/83/08/04/1134830804.db2.gz ONWXWYMYUUWSQU-UHFFFAOYSA-N -1 0 335.473 3.782 20 0 EHADRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cc(C(C)C)no1 ZINC001191655163 1134900679 /nfs/dbraw/zinc/90/06/79/1134900679.db2.gz IILJASULLAKQDJ-UHFFFAOYSA-N -1 0 338.429 3.731 20 0 EHADRM O=C(Nc1ccccc1C(F)F)c1nc(Br)ccc1[O-] ZINC001191743025 1134916552 /nfs/dbraw/zinc/91/65/52/1134916552.db2.gz ZJTHTLLCQSTVRE-UHFFFAOYSA-N -1 0 343.127 3.740 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1c(C)cccc1OC ZINC001191820788 1134929472 /nfs/dbraw/zinc/92/94/72/1134929472.db2.gz GQEYKHXBJQLTSC-UHFFFAOYSA-N -1 0 335.425 3.512 20 0 EHADRM O=C([N-]OCc1ccc(C(F)(F)F)cc1)C1(C(F)(F)F)CC1 ZINC000747149988 1134997692 /nfs/dbraw/zinc/99/76/92/1134997692.db2.gz NEKTYELSJGUCEB-UHFFFAOYSA-N -1 0 327.224 3.596 20 0 EHADRM COCCCOc1ccc(F)cc1Nc1ccc(C(=O)[O-])cc1F ZINC001203292891 1135003305 /nfs/dbraw/zinc/00/33/05/1135003305.db2.gz NBOTUEQWCHFJEG-UHFFFAOYSA-N -1 0 337.322 3.822 20 0 EHADRM CSCCO[N-]C(=O)CSCc1ccc(Cl)cc1Cl ZINC000794186665 1135024989 /nfs/dbraw/zinc/02/49/89/1135024989.db2.gz AKEAKSSMBWAGHM-UHFFFAOYSA-N -1 0 340.297 3.637 20 0 EHADRM O=C(Nc1ccc(Cc2ccncc2)cc1)c1c(F)ccc(F)c1[O-] ZINC001192705915 1135049988 /nfs/dbraw/zinc/04/99/88/1135049988.db2.gz FQWCIIJXQODPPD-UHFFFAOYSA-N -1 0 340.329 3.909 20 0 EHADRM O=C(NCCc1ccc2ccccc2c1)c1c(F)ccc(F)c1[O-] ZINC001192719058 1135051058 /nfs/dbraw/zinc/05/10/58/1135051058.db2.gz IYEXZBGRENWIMN-UHFFFAOYSA-N -1 0 327.330 3.796 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C3CCC3)nc2)c1 ZINC001192776261 1135052891 /nfs/dbraw/zinc/05/28/91/1135052891.db2.gz XJBFCZSJVDEBIW-UHFFFAOYSA-N -1 0 346.452 3.721 20 0 EHADRM O=C(Nc1ccc(OCC(F)(F)F)cc1)c1ccc(F)c(F)c1[O-] ZINC001192810429 1135057831 /nfs/dbraw/zinc/05/78/31/1135057831.db2.gz IOSOVRXVXQJZEY-UHFFFAOYSA-N -1 0 347.239 3.864 20 0 EHADRM CCC(=O)c1ccc([N-]S(=O)(=O)c2cc(CC)ccc2OC)cc1 ZINC001192816543 1135058455 /nfs/dbraw/zinc/05/84/55/1135058455.db2.gz QTQXVZNVOGWDNV-UHFFFAOYSA-N -1 0 347.436 3.651 20 0 EHADRM O=C(Nc1ccc(Cc2ccncc2)cc1)c1cc(F)c([O-])cc1F ZINC001192872848 1135062282 /nfs/dbraw/zinc/06/22/82/1135062282.db2.gz UKAAKIQQCCWZFO-UHFFFAOYSA-N -1 0 340.329 3.909 20 0 EHADRM O=C(NCCc1ccc2ccccc2c1)c1cc(F)c([O-])cc1F ZINC001192875532 1135062578 /nfs/dbraw/zinc/06/25/78/1135062578.db2.gz BPZBWZUQMJYIGB-UHFFFAOYSA-N -1 0 327.330 3.796 20 0 EHADRM O=C(NCc1nc(-c2ccccc2)cs1)c1ccc([O-])c(F)c1F ZINC001192843258 1135063960 /nfs/dbraw/zinc/06/39/60/1135063960.db2.gz SYCVEFLUUQYIHU-UHFFFAOYSA-N -1 0 346.358 3.724 20 0 EHADRM O=C(Nc1ccccc1-c1ccncc1)c1ccc([O-])c(F)c1F ZINC001192841412 1135063990 /nfs/dbraw/zinc/06/39/90/1135063990.db2.gz LICQCHHDRZSBCY-UHFFFAOYSA-N -1 0 326.302 3.985 20 0 EHADRM Cc1[nH]c2ccc(CNC(=O)c3ccc([O-])c(F)c3F)cc2c1C ZINC001192841578 1135064118 /nfs/dbraw/zinc/06/41/18/1135064118.db2.gz ROWIJLWUTPEQLY-UHFFFAOYSA-N -1 0 330.334 3.699 20 0 EHADRM CC(C)c1cccc(NC(=O)c2cc(Cl)nc(Cl)c2[O-])n1 ZINC001193084411 1135097832 /nfs/dbraw/zinc/09/78/32/1135097832.db2.gz ZTQCNBTUMUQPMS-UHFFFAOYSA-N -1 0 326.183 3.865 20 0 EHADRM O=C(NCc1cncc2ccccc21)c1cc(Cl)nc(Cl)c1[O-] ZINC001193098890 1135101439 /nfs/dbraw/zinc/10/14/39/1135101439.db2.gz SVMZRPWLFGJNIR-UHFFFAOYSA-N -1 0 348.189 3.572 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)C[C@H]2CCCO2)c1Oc1ccccc1 ZINC001193254553 1135118287 /nfs/dbraw/zinc/11/82/87/1135118287.db2.gz ZCAZXNHQMHPXSN-MRXNPFEDSA-N -1 0 347.436 3.708 20 0 EHADRM COC(=O)[C@H](C)c1ccc(NC(=O)c2cccc(Cl)c2[O-])cc1 ZINC001129649927 1135131481 /nfs/dbraw/zinc/13/14/81/1135131481.db2.gz DNGSONBKMFDGRM-SNVBAGLBSA-N -1 0 333.771 3.574 20 0 EHADRM O=C(c1cc(=O)[nH][n-]1)N1CCC[C@@H]1C(c1ccccc1)c1ccccc1 ZINC001193467574 1135140906 /nfs/dbraw/zinc/14/09/06/1135140906.db2.gz UUINKSHTXXAVDA-GOSISDBHSA-N -1 0 347.418 3.552 20 0 EHADRM O=C(N[C@@H](c1ccccc1)c1cccc2ccccc21)c1cc(=O)[nH][n-]1 ZINC001193475443 1135141548 /nfs/dbraw/zinc/14/15/48/1135141548.db2.gz IAYCSPCSUBMPRF-FQEVSTJZSA-N -1 0 343.386 3.788 20 0 EHADRM Cc1cnn(-c2ccc(C)cc2)c1NC(=O)c1ccc(F)c([O-])c1F ZINC001193768444 1135184565 /nfs/dbraw/zinc/18/45/65/1135184565.db2.gz FXCFHOVTHIDXSQ-UHFFFAOYSA-N -1 0 343.333 3.725 20 0 EHADRM Cc1nc2c(F)cccc2cc1NC(=O)c1ccc(F)c([O-])c1F ZINC001193770227 1135184674 /nfs/dbraw/zinc/18/46/74/1135184674.db2.gz QRJZYXLICOPTDC-UHFFFAOYSA-N -1 0 332.281 3.918 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnc(F)cc2C)c2ccccc12 ZINC001193833275 1135190704 /nfs/dbraw/zinc/19/07/04/1135190704.db2.gz MDKPNTXBGWXLHH-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM COCCCO[N-]C(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000805040107 1135227858 /nfs/dbraw/zinc/22/78/58/1135227858.db2.gz QRWZCACDUHEAJS-KRWDZBQOSA-N -1 0 331.437 3.604 20 0 EHADRM COc1ncccc1[N-]S(=O)(=O)c1ccc2c(Cl)cccc2c1 ZINC001194216390 1135245063 /nfs/dbraw/zinc/24/50/63/1135245063.db2.gz YIXDSCCRAVEWKL-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM CCn1cc([N-]S(=O)(=O)c2ccc3c(Cl)cccc3c2)cn1 ZINC001194217731 1135245749 /nfs/dbraw/zinc/24/57/49/1135245749.db2.gz TWRYZIYDZKAPRC-UHFFFAOYSA-N -1 0 335.816 3.510 20 0 EHADRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1ccc2c(c1)N=NC2 ZINC001194276565 1135247615 /nfs/dbraw/zinc/24/76/15/1135247615.db2.gz JVVOBPQQHJCHFC-UHFFFAOYSA-N -1 0 333.351 3.736 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1ccnc(Br)c1 ZINC000805257332 1135253967 /nfs/dbraw/zinc/25/39/67/1135253967.db2.gz YIECGLGXXOCYHO-UHFFFAOYSA-N -1 0 345.555 3.595 20 0 EHADRM C=Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC001194301593 1135254277 /nfs/dbraw/zinc/25/42/77/1135254277.db2.gz RNYACVIPFMWAGD-UHFFFAOYSA-N -1 0 328.315 3.544 20 0 EHADRM CC[S@](=O)c1ccccc1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000805259924 1135254414 /nfs/dbraw/zinc/25/44/14/1135254414.db2.gz NJLIHFBRSORCGW-QFIPXVFZSA-N -1 0 341.791 3.565 20 0 EHADRM CCCCCC(C)(C)NS(=O)(=O)c1ncccc1C(F)(F)F ZINC001194586336 1135288629 /nfs/dbraw/zinc/28/86/29/1135288629.db2.gz GYHRKWUYUWLWKW-UHFFFAOYSA-N -1 0 338.395 3.738 20 0 EHADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1c(C)cccc1C ZINC001194602038 1135291531 /nfs/dbraw/zinc/29/15/31/1135291531.db2.gz CTPVBGLRTAMLEM-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM COc1ncccc1S(=O)(=O)[N-]c1cccc2cccc(Cl)c21 ZINC001194727121 1135313126 /nfs/dbraw/zinc/31/31/26/1135313126.db2.gz RGJGGOQTQJVTFA-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM CC(C)c1ccc2occ(C(=O)[N-]S(=O)(=O)C3CCCC3)c2c1 ZINC000805894719 1135345273 /nfs/dbraw/zinc/34/52/73/1135345273.db2.gz QQCFJNIMKIZOMX-UHFFFAOYSA-N -1 0 335.425 3.558 20 0 EHADRM C[Si](C)(C)CCS(=O)(=O)[N-]c1cc(C2CCCCC2)no1 ZINC001195041253 1135358139 /nfs/dbraw/zinc/35/81/39/1135358139.db2.gz UYBVQGHZSUTOHC-UHFFFAOYSA-N -1 0 330.526 3.802 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]C(C(F)(F)F)C(F)(F)F)c1 ZINC001195179977 1135378350 /nfs/dbraw/zinc/37/83/50/1135378350.db2.gz NHDFKSFDVZOFGS-UHFFFAOYSA-N -1 0 349.296 3.582 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc2ccccc2n1 ZINC001195267283 1135401999 /nfs/dbraw/zinc/40/19/99/1135401999.db2.gz AHWOIHLIOBABMA-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cccc(Cl)c1[O-] ZINC000775665455 1135438183 /nfs/dbraw/zinc/43/81/83/1135438183.db2.gz BVWBCLNMTXHJQV-JKSUJKDBSA-N -1 0 349.789 3.835 20 0 EHADRM CC(C)c1cc(C(C)C)c(C(=O)NCc2n[nH]c(=O)[n-]2)c(C(C)C)c1 ZINC001195683785 1135450356 /nfs/dbraw/zinc/45/03/56/1135450356.db2.gz HRZSWSXYSRFOFI-UHFFFAOYSA-N -1 0 344.459 3.811 20 0 EHADRM O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1cccc(Cl)c1[O-] ZINC000775671314 1135461156 /nfs/dbraw/zinc/46/11/56/1135461156.db2.gz BPDHKZHXBVGJDB-KBXCAEBGSA-N -1 0 345.826 3.943 20 0 EHADRM O=S(=O)([N-]c1cc(-c2ccccc2)cs1)c1ccc(O)cc1 ZINC001195765767 1135462141 /nfs/dbraw/zinc/46/21/41/1135462141.db2.gz CDLMCTWMZMWMNL-UHFFFAOYSA-N -1 0 331.418 3.922 20 0 EHADRM C[C@H](C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1)c1cccs1 ZINC000121428521 1135484640 /nfs/dbraw/zinc/48/46/40/1135484640.db2.gz RZLIKPWSQSBUEX-LBPRGKRZSA-N -1 0 345.445 3.510 20 0 EHADRM Cc1nc(C(C)C)[nH]c(=O)c1C(=O)NCc1ccc(C(C)C)cc1 ZINC000747355634 1135496329 /nfs/dbraw/zinc/49/63/29/1135496329.db2.gz UFBSGJZUDMOTOH-UHFFFAOYSA-N -1 0 327.428 3.667 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cn2)c(F)cc1Cl ZINC001196246050 1135540811 /nfs/dbraw/zinc/54/08/11/1135540811.db2.gz JZCIXDPWJBTRSN-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM O=C(Nc1ccccc1-c1ccncc1)c1cc(Cl)ncc1[O-] ZINC001196396990 1135555229 /nfs/dbraw/zinc/55/52/29/1135555229.db2.gz RBJKMDIDLOJDDG-UHFFFAOYSA-N -1 0 325.755 3.755 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc3cc(Cl)ccc3c2)nc(C)n1 ZINC001196413124 1135560091 /nfs/dbraw/zinc/56/00/91/1135560091.db2.gz XABLDEIWFFHGSU-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM O=C(NCc1cc(Cl)nc(Cl)c1)c1cc(Cl)c(F)cc1[O-] ZINC001196467488 1135564308 /nfs/dbraw/zinc/56/43/08/1135564308.db2.gz SBBUVWLOZQPLFZ-UHFFFAOYSA-N -1 0 349.576 3.817 20 0 EHADRM C[C@@H](NC(=O)c1cc(Cl)c(F)cc1[O-])c1nc2ccccc2[nH]1 ZINC001196468442 1135565138 /nfs/dbraw/zinc/56/51/38/1135565138.db2.gz ZZHRVUVEKAYVOH-MRVPVSSYSA-N -1 0 333.750 3.552 20 0 EHADRM O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1cc(Cl)c(F)cc1[O-] ZINC001196477832 1135565892 /nfs/dbraw/zinc/56/58/92/1135565892.db2.gz IFQSCUUXHJTHIJ-SJKOYZFVSA-N -1 0 349.789 3.835 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCCO[C@H](c2ccccc2)C1 ZINC000775718720 1135566382 /nfs/dbraw/zinc/56/63/82/1135566382.db2.gz NPJPWZOGVRPQIU-INIZCTEOSA-N -1 0 331.799 3.649 20 0 EHADRM CCNc1nc(C)c(C(=O)Nc2cc(Cl)c([O-])cc2F)s1 ZINC000807774795 1135570932 /nfs/dbraw/zinc/57/09/32/1135570932.db2.gz DIDUGWHLGFOWGC-UHFFFAOYSA-N -1 0 329.784 3.634 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)c2cccc(Cl)c2[O-])c(C)c1OC ZINC000807858367 1135577894 /nfs/dbraw/zinc/57/78/94/1135577894.db2.gz QYPGKAOTMAXTOL-LLVKDONJSA-N -1 0 349.814 3.862 20 0 EHADRM CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000808069344 1135611211 /nfs/dbraw/zinc/61/12/11/1135611211.db2.gz UTCRFWSGJKRNTF-UHFFFAOYSA-N -1 0 325.336 3.628 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCSC12CCCCC2 ZINC000808044398 1135613500 /nfs/dbraw/zinc/61/35/00/1135613500.db2.gz UGDJRQRKYJCLMR-UHFFFAOYSA-N -1 0 334.466 3.966 20 0 EHADRM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2C)c1 ZINC000808087149 1135616215 /nfs/dbraw/zinc/61/62/15/1135616215.db2.gz NQLSNSKMUWDPOO-NSHDSACASA-N -1 0 340.832 3.552 20 0 EHADRM C[C@H]1[C@H](c2cccc(Cl)c2)OCCN1C(=O)c1cccc(F)c1[O-] ZINC001131194364 1135638714 /nfs/dbraw/zinc/63/87/14/1135638714.db2.gz DOMNBBUOYQHMMR-APPDUMDISA-N -1 0 349.789 3.787 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N2CCC(c3ccccc3)CC2)cc1 ZINC001197087140 1135644026 /nfs/dbraw/zinc/64/40/26/1135644026.db2.gz DFVBTHNZCDCUDH-UHFFFAOYSA-N -1 0 340.448 3.961 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N2CCc3ccc(Cl)cc3C2)cc1 ZINC001197075698 1135647518 /nfs/dbraw/zinc/64/75/18/1135647518.db2.gz PJJDYFTYCDDENX-UHFFFAOYSA-N -1 0 346.839 3.793 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2cnc3cc(F)ccc3c2)cc1 ZINC001197084010 1135648346 /nfs/dbraw/zinc/64/83/46/1135648346.db2.gz SDGNRXBPWPGEBC-UHFFFAOYSA-N -1 0 341.367 3.881 20 0 EHADRM Cc1ccccc1C(C)(C)NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197139466 1135649494 /nfs/dbraw/zinc/64/94/94/1135649494.db2.gz HCXNIKVDCZCIQJ-UHFFFAOYSA-N -1 0 328.437 3.915 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=S)Nc2ccc(C(=O)[O-])cc2)cn1 ZINC001197103594 1135650046 /nfs/dbraw/zinc/65/00/46/1135650046.db2.gz PGBGVTGYUMPLPQ-INIZCTEOSA-N -1 0 341.436 3.622 20 0 EHADRM CCOc1ccc(F)cc1NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197112791 1135650766 /nfs/dbraw/zinc/65/07/66/1135650766.db2.gz JNOJNNOTPHFFOW-UHFFFAOYSA-N -1 0 334.372 3.732 20 0 EHADRM CCC(=O)c1cccc(NC(=S)Nc2ccc(C(=O)[O-])cc2)c1 ZINC001197119906 1135652214 /nfs/dbraw/zinc/65/22/14/1135652214.db2.gz VUEMKYMMQIFGRQ-UHFFFAOYSA-N -1 0 328.393 3.786 20 0 EHADRM C[C@H]1Cc2cccc(F)c2N(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC001197125410 1135652849 /nfs/dbraw/zinc/65/28/49/1135652849.db2.gz SUYNTWSFYQTDOH-JTQLQIEISA-N -1 0 329.400 3.735 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N[C@H]2CC[C@H](C(F)(F)F)CC2)cc1 ZINC001197148555 1135654688 /nfs/dbraw/zinc/65/46/88/1135654688.db2.gz YSFQZUCOQKDDEA-UMSPYCQHSA-N -1 0 346.374 3.792 20 0 EHADRM Cc1ccc([C@H](C)NC(=S)Nc2ccc(C(=O)[O-])cc2)cc1F ZINC001197148582 1135654809 /nfs/dbraw/zinc/65/48/09/1135654809.db2.gz ZKUSKKCBQZLDTD-NSHDSACASA-N -1 0 332.400 3.880 20 0 EHADRM C[C@H](NC(=O)c1cccc(Cl)c1[O-])c1cccc(-n2cccn2)c1 ZINC000775762723 1135657577 /nfs/dbraw/zinc/65/75/77/1135657577.db2.gz IJHLEVYRRBDIFO-LBPRGKRZSA-N -1 0 341.798 3.722 20 0 EHADRM CC(F)(F)C(=O)[N-]Cc1cc(Cl)cc(Cl)c1OC(F)F ZINC000808465370 1135673426 /nfs/dbraw/zinc/67/34/26/1135673426.db2.gz ZRDRCTKQEHQVFG-UHFFFAOYSA-N -1 0 334.096 3.866 20 0 EHADRM Cc1ccc2cccnc2c1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC001197600271 1135712892 /nfs/dbraw/zinc/71/28/92/1135712892.db2.gz KWKANZGRVJQGFJ-UHFFFAOYSA-N -1 0 348.374 3.763 20 0 EHADRM CC(=O)c1ccsc1[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC001197645992 1135715678 /nfs/dbraw/zinc/71/56/78/1135715678.db2.gz KRMFLUCOZPBCQI-UHFFFAOYSA-N -1 0 347.820 3.685 20 0 EHADRM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)c1cccc(Cl)c1[O-] ZINC000775780056 1135721636 /nfs/dbraw/zinc/72/16/36/1135721636.db2.gz BXKSOLNLJCOMTG-KBPBESRZSA-N -1 0 325.836 3.711 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2cccc(-c3cccs3)c2)c1 ZINC001198009140 1135761870 /nfs/dbraw/zinc/76/18/70/1135761870.db2.gz GIULTRDBMBTQFN-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1cccc(Cl)n1 ZINC001198189232 1135786278 /nfs/dbraw/zinc/78/62/78/1135786278.db2.gz WDPHMKGFVTWVTE-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM Cc1ncc(S(=O)(=O)[N-]c2cccc(-c3ccccc3C)c2)n1C ZINC001198399832 1135810600 /nfs/dbraw/zinc/81/06/00/1135810600.db2.gz JSVPCMAYUGRWRM-UHFFFAOYSA-N -1 0 341.436 3.505 20 0 EHADRM O=S(=O)([N-]c1ccc(F)c2cccnc12)c1ccc2occc2c1 ZINC001198858497 1135861858 /nfs/dbraw/zinc/86/18/58/1135861858.db2.gz AMZJHLFCDKUOQK-UHFFFAOYSA-N -1 0 342.351 3.921 20 0 EHADRM CCOc1ccc(NS(=O)(=O)c2ccc3occc3c2)cc1F ZINC001198870775 1135864396 /nfs/dbraw/zinc/86/43/96/1135864396.db2.gz UBYSXGVBQQOIOZ-UHFFFAOYSA-N -1 0 335.356 3.771 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ccc3cc(C)ccc3n2)c(C)c1 ZINC001198905120 1135868667 /nfs/dbraw/zinc/86/86/67/1135868667.db2.gz KCXSGTQFPNOACS-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)sc2c1)c1cncn1CC1CCC1 ZINC001199608670 1135914258 /nfs/dbraw/zinc/91/42/58/1135914258.db2.gz FYJTUWWLMOMFFJ-UHFFFAOYSA-N -1 0 344.465 3.834 20 0 EHADRM CCS(=O)(=O)c1ccc(F)c(-c2cc(F)c([O-])c(Cl)c2)c1 ZINC001244501651 1135916429 /nfs/dbraw/zinc/91/64/29/1135916429.db2.gz DYKMCXCJPWTMBU-UHFFFAOYSA-N -1 0 332.755 3.784 20 0 EHADRM COc1cc(C)c(C(=O)Nc2ccc3[n-]c(=S)sc3c2)cn1 ZINC001199707502 1135921203 /nfs/dbraw/zinc/92/12/03/1135921203.db2.gz GCDQPBOFMQPOFR-UHFFFAOYSA-N -1 0 331.422 3.549 20 0 EHADRM O=C(CC1CCCC1)Nc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC001132104101 1135927462 /nfs/dbraw/zinc/92/74/62/1135927462.db2.gz PIBONEXMBQWODJ-UHFFFAOYSA-N -1 0 346.324 3.523 20 0 EHADRM CCc1ccccc1NC(=S)Nc1cc(C(=O)OC)ccc1O ZINC001201146708 1135988807 /nfs/dbraw/zinc/98/88/07/1135988807.db2.gz MGXAPGGNRVPFPZ-UHFFFAOYSA-N -1 0 330.409 3.550 20 0 EHADRM O=S(=O)([N-]c1ccco1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC001201346964 1136010814 /nfs/dbraw/zinc/01/08/14/1136010814.db2.gz BKCSBNOFQNJPJB-UHFFFAOYSA-N -1 0 325.695 3.753 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)CSc2ccccc2)c1 ZINC001152939711 1136085917 /nfs/dbraw/zinc/08/59/17/1136085917.db2.gz WSZGKSGTKXUVNC-LBPRGKRZSA-N -1 0 329.421 3.962 20 0 EHADRM O=C(Nc1ccccc1Cl)Nc1ncc(Br)cc1[O-] ZINC001202052543 1136086748 /nfs/dbraw/zinc/08/67/48/1136086748.db2.gz YTZNVUCXEYVJOM-UHFFFAOYSA-N -1 0 342.580 3.847 20 0 EHADRM CC(C)OCc1cc(NC(=O)c2c([O-])cc(F)cc2F)ccc1O ZINC000811596593 1136109485 /nfs/dbraw/zinc/10/94/85/1136109485.db2.gz OMTVKCPWBWKFGY-UHFFFAOYSA-N -1 0 337.322 3.553 20 0 EHADRM Cc1c(Cl)nccc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000811835566 1136143185 /nfs/dbraw/zinc/14/31/85/1136143185.db2.gz BNNVMHOHVFTAKT-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)Nc2cc(F)c(F)cc2F)c1 ZINC000811814587 1136144660 /nfs/dbraw/zinc/14/46/60/1136144660.db2.gz MIHKVLIKGOKUKK-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N[C@H]2CCc3cc(F)ccc32)c1 ZINC000811817380 1136144903 /nfs/dbraw/zinc/14/49/03/1136144903.db2.gz LXGYLXLWKVXJQC-HNNXBMFYSA-N -1 0 333.746 3.595 20 0 EHADRM C[C@@H](NC(=O)c1cc(C(=O)[O-])ccc1Cl)[C@H](C)c1ccccc1 ZINC000811820304 1136145473 /nfs/dbraw/zinc/14/54/73/1136145473.db2.gz VCTMGHMFXGSBLZ-NWDGAFQWSA-N -1 0 331.799 3.960 20 0 EHADRM Cc1cc(C)c(CCNC(=O)c2cc(C(=O)[O-])ccc2Cl)c(C)c1 ZINC000811819475 1136145596 /nfs/dbraw/zinc/14/55/96/1136145596.db2.gz BFDABPKRHUTTLB-UHFFFAOYSA-N -1 0 345.826 3.936 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)nc1)c1ccc(C(F)(F)F)cc1 ZINC000107224898 1136163322 /nfs/dbraw/zinc/16/33/22/1136163322.db2.gz DHOLLYBXYKONQS-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM O=C(/C=C/c1ccc2c(c1)OCO2)Nc1cc(F)cc(Cl)c1[O-] ZINC000771504826 1136175323 /nfs/dbraw/zinc/17/53/23/1136175323.db2.gz NWJFZVMGRSOVSS-DUXPYHPUSA-N -1 0 335.718 3.565 20 0 EHADRM CC(C)OCCO[N-]C(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000812801315 1136253441 /nfs/dbraw/zinc/25/34/41/1136253441.db2.gz HOYZZTDBYAUIPH-GOSISDBHSA-N -1 0 345.464 3.993 20 0 EHADRM CC(C)OCCO[N-]C(=O)CSc1ccc(C(C)(C)C)cc1 ZINC000812806646 1136254385 /nfs/dbraw/zinc/25/43/85/1136254385.db2.gz KGXGCNFPYROENX-UHFFFAOYSA-N -1 0 325.474 3.549 20 0 EHADRM Cc1ccc(CC(=O)NOCc2cc(Cl)cc3cccnc32)cc1 ZINC000747832390 1136280026 /nfs/dbraw/zinc/28/00/26/1136280026.db2.gz RQWHYWJRUCVYPI-UHFFFAOYSA-N -1 0 340.810 3.987 20 0 EHADRM Cc1ccnc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)c1 ZINC000109420262 1136295026 /nfs/dbraw/zinc/29/50/26/1136295026.db2.gz VIAPBUAHUNHXSF-UHFFFAOYSA-N -1 0 332.425 3.512 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)[C@@]1(C)CC=C(C)CC1 ZINC000850920345 1136318316 /nfs/dbraw/zinc/31/83/16/1136318316.db2.gz WPQCQHZXXIZWGR-INIZCTEOSA-N -1 0 341.860 3.590 20 0 EHADRM CC(C)c1nn(C)c(Cl)c1CNc1ccc(F)c(C(=O)[O-])c1 ZINC000813355669 1136322318 /nfs/dbraw/zinc/32/23/18/1136322318.db2.gz CUHXGSYAYZDKHE-UHFFFAOYSA-N -1 0 325.771 3.646 20 0 EHADRM CCC[C@H](C(=O)OCc1n[n-]c(C)cc1=O)c1ccc(Cl)cc1 ZINC000850955912 1136322616 /nfs/dbraw/zinc/32/26/16/1136322616.db2.gz DDSWNUSPILCHMS-AWEZNQCLSA-N -1 0 334.803 3.771 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1C ZINC000109687360 1136328666 /nfs/dbraw/zinc/32/86/66/1136328666.db2.gz OFNFNYKIRPBQRQ-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM CCC1(C(=O)O[C@H]2C[C@@H]([N-]C(=O)C(F)(F)F)c3ccccc32)CC1 ZINC000851176111 1136346621 /nfs/dbraw/zinc/34/66/21/1136346621.db2.gz NJCZNLBOERNYFH-OLZOCXBDSA-N -1 0 341.329 3.584 20 0 EHADRM O=C(N[C@@H](CCO)c1ccc(Cl)cc1)c1cccc(Cl)c1[O-] ZINC000813692319 1136356796 /nfs/dbraw/zinc/35/67/96/1136356796.db2.gz GTCQGEHRINMYJO-AWEZNQCLSA-N -1 0 340.206 3.553 20 0 EHADRM C[C@H](CC(=O)[N-]S(=O)(=O)c1cc2ccccc2o1)CC(C)(C)C ZINC000851246473 1136357191 /nfs/dbraw/zinc/35/71/91/1136357191.db2.gz DIPXDLXISGRQTF-GFCCVEGCSA-N -1 0 337.441 3.700 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C1CCC(C)(C)CC1 ZINC000814017238 1136386578 /nfs/dbraw/zinc/38/65/78/1136386578.db2.gz VDPLGSGKPIETGY-INIZCTEOSA-N -1 0 337.485 3.800 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(C)c(C)c1 ZINC000814019121 1136387120 /nfs/dbraw/zinc/38/71/20/1136387120.db2.gz GSWLMGNICJFRLO-QGZVFWFLSA-N -1 0 331.437 3.514 20 0 EHADRM CCC[C@@](C)(CC)C(=O)[N-]S(=O)(=O)[C@H](CC)c1ccccc1 ZINC000814019905 1136387186 /nfs/dbraw/zinc/38/71/86/1136387186.db2.gz ORDOZHUEWCQWKL-NVXWUHKLSA-N -1 0 325.474 3.800 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCc1cccc(C)c1 ZINC000814021212 1136387230 /nfs/dbraw/zinc/38/72/30/1136387230.db2.gz OIOKFTCVPWTARP-SFHVURJKSA-N -1 0 345.464 3.525 20 0 EHADRM C/C(=C\C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21)c1ccccc1 ZINC000851617987 1136396149 /nfs/dbraw/zinc/39/61/49/1136396149.db2.gz GZACOQKRCWXLGM-YUDUXVMTSA-N -1 0 327.424 3.582 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2ccccc2C(C)C)n1 ZINC000851616363 1136396288 /nfs/dbraw/zinc/39/62/88/1136396288.db2.gz DMSFDHRQCMQFKF-OAHLLOKOSA-N -1 0 329.400 3.685 20 0 EHADRM CCC[C@@](C)(NC(=O)/C=C/c1ccc2cc(OC)ccc2c1)C(=O)[O-] ZINC000776611146 1136470992 /nfs/dbraw/zinc/47/09/92/1136470992.db2.gz QORDLLILFSOWJT-CLOLKSBNSA-N -1 0 341.407 3.621 20 0 EHADRM O=C([O-])c1ccn(-c2ccccc2NC(=O)/C=C\C2CCCCC2)n1 ZINC000776620235 1136483026 /nfs/dbraw/zinc/48/30/26/1136483026.db2.gz NEUHZPRVPKJVBG-KHPPLWFESA-N -1 0 339.395 3.646 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000776630987 1136493815 /nfs/dbraw/zinc/49/38/15/1136493815.db2.gz DPLAMLSPWUCWLL-BPLLCVTGSA-N -1 0 325.339 3.966 20 0 EHADRM CC1(C)CN(C(=O)c2ccc3oc(=S)[n-]c3c2)[C@H]1c1ccncc1 ZINC000852965493 1136494907 /nfs/dbraw/zinc/49/49/07/1136494907.db2.gz BGTNXQUVVHPGRO-HNNXBMFYSA-N -1 0 339.420 3.735 20 0 EHADRM O=C(Nc1c(F)ccc(Br)c1F)c1cccc(F)c1[O-] ZINC001134628697 1136500770 /nfs/dbraw/zinc/50/07/70/1136500770.db2.gz UXXOUAHGZMTPNX-UHFFFAOYSA-N -1 0 346.102 3.824 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC000776673953 1136528721 /nfs/dbraw/zinc/52/87/21/1136528721.db2.gz WTPKWVYHNQTRPV-KBXCAEBGSA-N -1 0 343.398 3.645 20 0 EHADRM O=C(CC[C@H]1CC1(Cl)Cl)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000854643940 1136633996 /nfs/dbraw/zinc/63/39/96/1136633996.db2.gz BGNSRQUYELDXOE-JTQLQIEISA-N -1 0 340.210 3.695 20 0 EHADRM O=C(CC[C@@H]1CC1(Cl)Cl)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000854643941 1136634064 /nfs/dbraw/zinc/63/40/64/1136634064.db2.gz BGNSRQUYELDXOE-SNVBAGLBSA-N -1 0 340.210 3.695 20 0 EHADRM CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)[N-]OCCC1CC1 ZINC000815792661 1136640525 /nfs/dbraw/zinc/64/05/25/1136640525.db2.gz NNYRGYSQVRHSSM-UHFFFAOYSA-N -1 0 332.444 3.720 20 0 EHADRM CC(C)[C@H](CO)O[N-]C(=O)[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000854828557 1136646278 /nfs/dbraw/zinc/64/62/78/1136646278.db2.gz ZLJQCEXYAYZSSS-ZWKOTPCHSA-N -1 0 347.842 3.537 20 0 EHADRM CCC1(c2ccccc2)CN(C(=O)c2ccc3oc(=S)[n-]c3c2)C1 ZINC000854915339 1136654391 /nfs/dbraw/zinc/65/43/91/1136654391.db2.gz NRPFGRJHMWEPTI-UHFFFAOYSA-N -1 0 338.432 3.920 20 0 EHADRM O=Cc1ccc(-c2ccc(O)c(C(=O)NCc3ccc(F)cc3)c2)o1 ZINC001135304494 1136655679 /nfs/dbraw/zinc/65/56/79/1136655679.db2.gz JPUNIMCOQXBJED-UHFFFAOYSA-N -1 0 339.322 3.534 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCC1CCCC1 ZINC000816107930 1136673888 /nfs/dbraw/zinc/67/38/88/1136673888.db2.gz UCYVWRYXAZZNIN-SFHVURJKSA-N -1 0 337.485 3.800 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000816108928 1136677237 /nfs/dbraw/zinc/67/72/37/1136677237.db2.gz QWTHFTWBIBTFLP-RKVPGOIHSA-N -1 0 337.485 3.656 20 0 EHADRM C/C(=C/C(=O)[N-]S(=O)(=O)[C@@H](c1ccccc1)C(C)C)C(C)(C)C ZINC000816110563 1136677548 /nfs/dbraw/zinc/67/75/48/1136677548.db2.gz CJZGVTSHYZHFJS-BHEFUSTPSA-N -1 0 337.485 3.822 20 0 EHADRM CC[C@H](C)CCC(=O)[N-]S(=O)(=O)[C@@H](c1ccccc1)C(C)C ZINC000816111968 1136677629 /nfs/dbraw/zinc/67/76/29/1136677629.db2.gz KRYFVIRENOPDNS-WMLDXEAASA-N -1 0 325.474 3.656 20 0 EHADRM CCC1(C(=O)[N-]S(=O)(=O)[C@H](c2ccccc2)C(C)C)CCCC1 ZINC000816111996 1136677671 /nfs/dbraw/zinc/67/76/71/1136677671.db2.gz KYYGGSMELSTBIP-INIZCTEOSA-N -1 0 337.485 3.800 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C(C)(C)C(C)(C)C ZINC000816110127 1136677711 /nfs/dbraw/zinc/67/77/11/1136677711.db2.gz UEEGAJKJURTJGS-HNNXBMFYSA-N -1 0 339.501 3.902 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000855951803 1136743897 /nfs/dbraw/zinc/74/38/97/1136743897.db2.gz QBEADCVZEAZXMN-UKRRQHHQSA-N -1 0 346.452 3.538 20 0 EHADRM O=C(NCCc1c[nH]c2ccccc12)c1ccc2oc(=S)[n-]c2c1 ZINC000816807041 1136755411 /nfs/dbraw/zinc/75/54/11/1136755411.db2.gz UZZUYLDWPISBHI-UHFFFAOYSA-N -1 0 337.404 3.570 20 0 EHADRM O=C(Nc1ccc(OC(F)F)cc1)c1ccc2oc(=S)[n-]c2c1 ZINC000816815172 1136757722 /nfs/dbraw/zinc/75/77/22/1136757722.db2.gz OHQFDXLKCACRGL-UHFFFAOYSA-N -1 0 336.319 3.970 20 0 EHADRM CCOCc1ccccc1CNC(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000816859170 1136759703 /nfs/dbraw/zinc/75/97/03/1136759703.db2.gz PFGLJAKRFRYFOJ-UHFFFAOYSA-N -1 0 342.420 3.583 20 0 EHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000816945822 1136765984 /nfs/dbraw/zinc/76/59/84/1136765984.db2.gz QILZVEWCKRCPJW-GXTWGEPZSA-N -1 0 334.466 3.617 20 0 EHADRM CN(Cc1nc2ccccc2s1)C(=O)c1cc(F)cc(F)c1[O-] ZINC001135812467 1136775522 /nfs/dbraw/zinc/77/55/22/1136775522.db2.gz OKHVBJYWBWNQGF-UHFFFAOYSA-N -1 0 334.347 3.552 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CC2CC1(c1ccccc1)C2 ZINC000856440341 1136785538 /nfs/dbraw/zinc/78/55/38/1136785538.db2.gz KYDLWECRURLTHR-UHFFFAOYSA-N -1 0 336.416 3.878 20 0 EHADRM O=C([N-]OCC1CC1)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000817349898 1136797424 /nfs/dbraw/zinc/79/74/24/1136797424.db2.gz LPASNRGNZBJSQZ-UHFFFAOYSA-N -1 0 333.737 3.848 20 0 EHADRM CCOc1ccc(C(C)(C)C(=O)[N-]OCCC2CC2)cc1OCC ZINC000817416846 1136806788 /nfs/dbraw/zinc/80/67/88/1136806788.db2.gz XUENCFVSOCSOMA-UHFFFAOYSA-N -1 0 335.444 3.610 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000856989071 1136830558 /nfs/dbraw/zinc/83/05/58/1136830558.db2.gz HPYMJVQWNZHIGG-DDTOSNHZSA-N -1 0 341.860 3.580 20 0 EHADRM O=C([N-]Cc1cccc(C(F)(F)F)n1)C(F)(F)c1ccc(F)cc1 ZINC000857518697 1136879316 /nfs/dbraw/zinc/87/93/16/1136879316.db2.gz MDSVKCYGFXJTSO-UHFFFAOYSA-N -1 0 348.246 3.648 20 0 EHADRM CN(Cc1cccs1)C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC001136151811 1136884892 /nfs/dbraw/zinc/88/48/92/1136884892.db2.gz SPLURPCOEQBJRL-UHFFFAOYSA-N -1 0 341.388 3.798 20 0 EHADRM O=C([N-]c1c2nsnc2ccc1Cl)c1scnc1Cl ZINC000776964456 1136907205 /nfs/dbraw/zinc/90/72/05/1136907205.db2.gz ANOZKQUKOXURLC-UHFFFAOYSA-N -1 0 331.209 3.707 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@]2(C)CCOc3ccccc32)c1 ZINC000819978321 1136967972 /nfs/dbraw/zinc/96/79/72/1136967972.db2.gz QNJVHMLMFBHLIG-HXUWFJFHSA-N -1 0 339.391 3.664 20 0 EHADRM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CCOC[C@H](C2CCC2)C1 ZINC000820336037 1136987733 /nfs/dbraw/zinc/98/77/33/1136987733.db2.gz AWOKHVBHQQJTAP-LLVKDONJSA-N -1 0 344.238 3.588 20 0 EHADRM CC1(C(=O)[N-]S(=O)(=O)Cc2ccccc2Cl)CCCCCC1 ZINC000781461351 1137009255 /nfs/dbraw/zinc/00/92/55/1137009255.db2.gz RPYJFFBCDPBWCQ-UHFFFAOYSA-N -1 0 343.876 3.647 20 0 EHADRM O=C([N-]O[C@@H]1CCCCO1)/C(F)=C\c1ccc(C(F)(F)F)cc1 ZINC001136460286 1137031091 /nfs/dbraw/zinc/03/10/91/1137031091.db2.gz XRXPQVYIVAQUSA-CNELAYHGSA-N -1 0 333.281 3.590 20 0 EHADRM C[C@@H]1CC2(CCC2)CN1C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000822439321 1137059844 /nfs/dbraw/zinc/05/98/44/1137059844.db2.gz LQLZWERVFWGLFS-CYBMUJFWSA-N -1 0 339.391 3.869 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000013402743 1137080854 /nfs/dbraw/zinc/08/08/54/1137080854.db2.gz AFSIFEJVMLEHPV-JLHYYAGUSA-N -1 0 325.364 3.582 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000013432734 1137082093 /nfs/dbraw/zinc/08/20/93/1137082093.db2.gz AUOOFOIPMAOGQM-UHFFFAOYSA-N -1 0 339.269 3.844 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)CCSc1ccc(F)cc1 ZINC000013447730 1137085564 /nfs/dbraw/zinc/08/55/64/1137085564.db2.gz UWLFFJLWAYIRMC-UHFFFAOYSA-N -1 0 345.395 3.595 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1ccc(C(F)(F)F)cc1 ZINC000013448489 1137085694 /nfs/dbraw/zinc/08/56/94/1137085694.db2.gz VGJZYPWIOSZICU-UHFFFAOYSA-N -1 0 335.281 3.607 20 0 EHADRM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CCC(c2ncco2)CC1 ZINC000823641245 1137107672 /nfs/dbraw/zinc/10/76/72/1137107672.db2.gz FKJVHGJHCAUZMM-UHFFFAOYSA-N -1 0 341.194 3.707 20 0 EHADRM C[C@H]1CN(C(=O)NCCCCCCc2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000861468644 1137107911 /nfs/dbraw/zinc/10/79/11/1137107911.db2.gz YIHNGKKNOODFMG-WMZOPIPTSA-N -1 0 346.471 3.542 20 0 EHADRM C[C@@H](CCc1cccn1C)NC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC001136787131 1137116553 /nfs/dbraw/zinc/11/65/53/1137116553.db2.gz YDUYBWZTHBRRAA-NSHDSACASA-N -1 0 340.345 3.501 20 0 EHADRM O=C(NO[C@@H]1CCCCO1)Nc1cccc(SC(F)(F)F)c1 ZINC000861652188 1137116878 /nfs/dbraw/zinc/11/68/78/1137116878.db2.gz SHCIOLVUHXUVOF-LLVKDONJSA-N -1 0 336.335 3.878 20 0 EHADRM Cc1ccccc1[C@@H](CC(C)C)NC(=O)C(=O)[N-]OC1CCCCC1 ZINC000805881755 1137157566 /nfs/dbraw/zinc/15/75/66/1137157566.db2.gz IAJYQHIXEBHINM-GOSISDBHSA-N -1 0 346.471 3.579 20 0 EHADRM CCc1cc(Cl)cnc1[N-]S(=O)(=O)c1sc(C)cc1C ZINC000863451339 1137186912 /nfs/dbraw/zinc/18/69/12/1137186912.db2.gz ZBUPGIJWWQBNHQ-UHFFFAOYSA-N -1 0 330.862 3.777 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ncc(Cl)cc2CC)s1 ZINC000863450631 1137186942 /nfs/dbraw/zinc/18/69/42/1137186942.db2.gz LNUJEFUBEXINKF-UHFFFAOYSA-N -1 0 330.862 3.722 20 0 EHADRM C[C@H]1CN(c2nccc3ccc(Br)cc32)CC[C@H]1C(=O)[O-] ZINC000863734123 1137201254 /nfs/dbraw/zinc/20/12/54/1137201254.db2.gz LABLSZJTIPJNJR-GXFFZTMASA-N -1 0 349.228 3.544 20 0 EHADRM CC(C)C[C@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1cccs1 ZINC000864105518 1137215339 /nfs/dbraw/zinc/21/53/39/1137215339.db2.gz DOPLQSOHNMOELT-CFNZNRNTSA-N -1 0 333.409 3.956 20 0 EHADRM CCc1cc2c(CC(=O)N[C@](C)(CC)CC(=O)[O-])csc2s1 ZINC000864118845 1137216062 /nfs/dbraw/zinc/21/60/62/1137216062.db2.gz OHCZOPUWTMOAHW-MRXNPFEDSA-N -1 0 339.482 3.827 20 0 EHADRM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000864129004 1137216457 /nfs/dbraw/zinc/21/64/57/1137216457.db2.gz CGJPLBIZFMJLMP-WGDOYQSBSA-N -1 0 343.354 3.535 20 0 EHADRM CC(C)(CC(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000864133285 1137216646 /nfs/dbraw/zinc/21/66/46/1137216646.db2.gz MDAQKSRYXUXMPE-UHFFFAOYSA-N -1 0 329.371 3.759 20 0 EHADRM O=C([O-])c1coc(/C=C/C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000864143098 1137217198 /nfs/dbraw/zinc/21/71/98/1137217198.db2.gz BJMAEUVIARZWSW-WHHBIATBSA-N -1 0 343.354 3.583 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC000864155405 1137217435 /nfs/dbraw/zinc/21/74/35/1137217435.db2.gz QKHDBUUDZXUTIB-PXNSSMCTSA-N -1 0 331.456 3.509 20 0 EHADRM O=C([O-])C1=CC[C@H](NC(=O)C[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000864165597 1137217596 /nfs/dbraw/zinc/21/75/96/1137217596.db2.gz PHYSMBXMXSAHML-PMACEKPBSA-N -1 0 349.430 3.693 20 0 EHADRM O=C([O-])c1ccc(NC(=O)/C=C\C2CCCC2)c(OCC(F)F)c1 ZINC000864171080 1137217718 /nfs/dbraw/zinc/21/77/18/1137217718.db2.gz SSLHIRMEOOMIQJ-YVMONPNESA-N -1 0 339.338 3.714 20 0 EHADRM CC(C)(C)OC1CCC(NC(=O)CC2CCC(C(=O)[O-])CC2)CC1 ZINC000864190347 1137218393 /nfs/dbraw/zinc/21/83/93/1137218393.db2.gz ZYXACLQCBJMAMX-UHFFFAOYSA-N -1 0 339.476 3.510 20 0 EHADRM Cc1cc(CNC(=O)[C@](C)(Cc2ccccc2)C(C)C)oc1C(=O)[O-] ZINC000864190946 1137218566 /nfs/dbraw/zinc/21/85/66/1137218566.db2.gz SPMCUDUXLPCBKF-HXUWFJFHSA-N -1 0 343.423 3.807 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)c1ccc(Oc2ccccc2)cc1)C1CC1 ZINC000864198591 1137218857 /nfs/dbraw/zinc/21/88/57/1137218857.db2.gz YBNWHMUOAIIILG-HXUWFJFHSA-N -1 0 339.391 3.852 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@](F)(c3ccccc3)C2)c(F)c1 ZINC000864202898 1137218927 /nfs/dbraw/zinc/21/89/27/1137218927.db2.gz XHNXJJDHSHXRNU-LJQANCHMSA-N -1 0 345.345 3.625 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)N[C@@](C)(CC(=O)[O-])C1CC1 ZINC000864198569 1137218989 /nfs/dbraw/zinc/21/89/89/1137218989.db2.gz JHTGWYSJFNTIBF-QFYYESIMSA-N -1 0 341.860 3.580 20 0 EHADRM CSc1cc(C)c(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)o1 ZINC000864228271 1137219312 /nfs/dbraw/zinc/21/93/12/1137219312.db2.gz LZEUJMBAHDMPAS-NSHDSACASA-N -1 0 331.393 3.529 20 0 EHADRM COc1ccc(C2CC2)c(NC(=O)CCc2ccccc2C(=O)[O-])c1 ZINC000864226105 1137219388 /nfs/dbraw/zinc/21/93/88/1137219388.db2.gz IOYKWPUBVJQFFM-UHFFFAOYSA-N -1 0 339.391 3.842 20 0 EHADRM COc1cc(C)cc(C(=O)N[C@H](CC(=O)[O-])c2cccc(C)c2)c1C ZINC000864231885 1137219488 /nfs/dbraw/zinc/21/94/88/1137219488.db2.gz JXDUGPBREMJVKN-QGZVFWFLSA-N -1 0 341.407 3.566 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)Nc3ccc(Cl)c(C)c3)cc2=O)cc1 ZINC001144016092 1137228639 /nfs/dbraw/zinc/22/86/39/1137228639.db2.gz SQGPNOLVZNMCBL-UHFFFAOYSA-N -1 0 341.798 3.688 20 0 EHADRM CCc1c(Cl)nc(C)nc1N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000844931772 1137263630 /nfs/dbraw/zinc/26/36/30/1137263630.db2.gz VWMPFPXAKVLBOG-ZIAGYGMSSA-N -1 0 331.803 3.726 20 0 EHADRM CC(C)c1[nH]ccc1C(=O)[N-]S(=O)(=O)[C@@H](c1ccccc1)C(C)C ZINC000845575970 1137299211 /nfs/dbraw/zinc/29/92/11/1137299211.db2.gz AJKMLMXSMBDDDF-QGZVFWFLSA-N -1 0 348.468 3.595 20 0 EHADRM COC(C)(C)c1nsc([N-]c2cnn(-c3ccccc3)c2C)n1 ZINC000865629021 1137300030 /nfs/dbraw/zinc/30/00/30/1137300030.db2.gz YDJLWFPANPVAME-UHFFFAOYSA-N -1 0 329.429 3.657 20 0 EHADRM C[C@@H](Oc1ccccc1)C(=O)Nc1ccc2[n-]c(=S)sc2c1 ZINC001144500974 1137301133 /nfs/dbraw/zinc/30/11/33/1137301133.db2.gz IEOSSAHMWWZICR-SNVBAGLBSA-N -1 0 330.434 3.991 20 0 EHADRM Oc1cc(F)c(CN2CCCN(c3ccc(F)cc3)CC2)c(F)c1 ZINC001144567563 1137311533 /nfs/dbraw/zinc/31/15/33/1137311533.db2.gz RMDAATMMRXLZCA-UHFFFAOYSA-N -1 0 336.357 3.522 20 0 EHADRM O=C([O-])c1ccsc1CN1CCSC[C@@H]1c1ccc(F)cc1 ZINC001144677599 1137327957 /nfs/dbraw/zinc/32/79/57/1137327957.db2.gz WVBMQRQDBYXQEE-CQSZACIVSA-N -1 0 337.441 3.876 20 0 EHADRM C[C@H](NC(=O)[C@]1(C(=O)[O-])CC=CCC1)c1ccccc1C(F)(F)F ZINC000846707762 1137363364 /nfs/dbraw/zinc/36/33/64/1137363364.db2.gz YIDWDRRJFCBRJB-ZBEGNZNMSA-N -1 0 341.329 3.694 20 0 EHADRM O=C(Nc1ccc(OCC(F)F)cc1)c1ccc(Cl)c([O-])c1 ZINC001148857310 1137436522 /nfs/dbraw/zinc/43/65/22/1137436522.db2.gz USTVRSZPONSUBQ-UHFFFAOYSA-N -1 0 327.714 3.942 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2-c2noc(C)n2)sc1C ZINC000773233862 1137480592 /nfs/dbraw/zinc/48/05/92/1137480592.db2.gz YIRVCBYDDIWTHV-UHFFFAOYSA-N -1 0 349.437 3.524 20 0 EHADRM CCc1ccc(NC(=S)[N-]c2ccccc2SCC(N)=O)cc1 ZINC000018164805 1137489756 /nfs/dbraw/zinc/48/97/56/1137489756.db2.gz QRNRCORWXREHGV-UHFFFAOYSA-N -1 0 345.493 3.635 20 0 EHADRM O=c1cc(CCc2ccccc2)[n-]n1[C@@H]1CCOC2(CCCC2)C1 ZINC000871963265 1137563838 /nfs/dbraw/zinc/56/38/38/1137563838.db2.gz FUPOSOIOTYMNKJ-GOSISDBHSA-N -1 0 326.440 3.699 20 0 EHADRM Cc1c([N-]S(=O)(=O)/C=C\c2ccccc2F)noc1C(C)(C)C ZINC000872007035 1137564397 /nfs/dbraw/zinc/56/43/97/1137564397.db2.gz HKNHVTGBIUYRMM-KTKRTIGZSA-N -1 0 338.404 3.832 20 0 EHADRM C[C@H](C1CC1)n1nccc1NC(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000825574839 1137570592 /nfs/dbraw/zinc/57/05/92/1137570592.db2.gz BXIOQEBIZCMCGG-SECBINFHSA-N -1 0 328.397 3.536 20 0 EHADRM CC1(C)CO[C@H](c2cccc(F)c2)CN1Cc1cc(C(=O)[O-])cs1 ZINC000872161879 1137574502 /nfs/dbraw/zinc/57/45/02/1137574502.db2.gz GEXGTKHOVZOTGM-INIZCTEOSA-N -1 0 349.427 3.938 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2c(C)noc2C)cc1C(C)C ZINC000872345811 1137578748 /nfs/dbraw/zinc/57/87/48/1137578748.db2.gz VNNKEJYNENHELO-UHFFFAOYSA-N -1 0 338.429 3.614 20 0 EHADRM CC(C)(C)n1cc([N-]S(=O)(=O)c2ccc(F)c(C(F)F)c2)cn1 ZINC000872344561 1137578820 /nfs/dbraw/zinc/57/88/20/1137578820.db2.gz HOWYIPRQPRIHMB-UHFFFAOYSA-N -1 0 347.362 3.516 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2C(C)(F)F)c(C)o1 ZINC000872404302 1137579335 /nfs/dbraw/zinc/57/93/35/1137579335.db2.gz TUCJONJEFKJSQL-UHFFFAOYSA-N -1 0 333.331 3.948 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000872739584 1137583566 /nfs/dbraw/zinc/58/35/66/1137583566.db2.gz JNEQQTUHUQSSHU-XWSJACJDSA-N -1 0 343.467 3.666 20 0 EHADRM Cc1nc(C2CCN(C(=O)C3CCC=CCC3)CC2)sc1C(=O)[O-] ZINC000872742073 1137583608 /nfs/dbraw/zinc/58/36/08/1137583608.db2.gz RFICRSHJLLUMCG-UHFFFAOYSA-N -1 0 348.468 3.602 20 0 EHADRM CC[C@H](CC(=O)N1CC[C@]2(C(=O)[O-])CCC[C@H]12)c1ccc(C)cc1 ZINC000872766522 1137584084 /nfs/dbraw/zinc/58/40/84/1137584084.db2.gz JXBVEOLAQNTUFP-OXFYSEKESA-N -1 0 329.440 3.735 20 0 EHADRM CSc1ccccc1NC(=O)C[C@@]1(C(=O)[O-])CCc2ccccc21 ZINC000872831261 1137585182 /nfs/dbraw/zinc/58/51/82/1137585182.db2.gz MFZLRTDXWAYTFH-IBGZPJMESA-N -1 0 341.432 3.706 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000872834964 1137585272 /nfs/dbraw/zinc/58/52/72/1137585272.db2.gz CYCPALWZHYRAGB-UHFFFAOYSA-N -1 0 337.441 3.543 20 0 EHADRM CCc1cccc(C)c1NC(=O)C[C@@]1(C(=O)[O-])CCc2ccccc21 ZINC000872832489 1137585295 /nfs/dbraw/zinc/58/52/95/1137585295.db2.gz CLCNYVACFFJXJF-NRFANRHFSA-N -1 0 337.419 3.855 20 0 EHADRM COCCCC[C@@H](NC(=O)C1=C(C(=O)[O-])CCCC1)c1ccccc1 ZINC000872862925 1137585742 /nfs/dbraw/zinc/58/57/42/1137585742.db2.gz MEAQZROEVQHAFQ-GOSISDBHSA-N -1 0 345.439 3.616 20 0 EHADRM O=C([O-])C1=C(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)CCCC1 ZINC000872908415 1137586385 /nfs/dbraw/zinc/58/63/85/1137586385.db2.gz LZACWFSEYWVFQQ-SFHVURJKSA-N -1 0 325.408 3.620 20 0 EHADRM CCC(CC)(CC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C)C(=O)[O-] ZINC000872905559 1137586439 /nfs/dbraw/zinc/58/64/39/1137586439.db2.gz XCVGLJIOPMWOOG-MRXNPFEDSA-N -1 0 345.443 3.657 20 0 EHADRM Cc1ccc(NC(=O)[C@H](C)O[C@@H](C)C(=O)[O-])cc1-c1ccsc1 ZINC000873003991 1137587869 /nfs/dbraw/zinc/58/78/69/1137587869.db2.gz FUZWWDKSZBQEMM-RYUDHWBXSA-N -1 0 333.409 3.540 20 0 EHADRM Cc1sc(N2CC[C@@H](C(=O)[O-])[C@H](C)C2)nc1-c1ccc(F)cc1 ZINC000873061135 1137589183 /nfs/dbraw/zinc/58/91/83/1137589183.db2.gz HMLOTDLDYGUDNJ-QMTHXVAHSA-N -1 0 334.416 3.805 20 0 EHADRM C[C@H](C1CC1)N(C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])C1CC1 ZINC000873988892 1137608795 /nfs/dbraw/zinc/60/87/95/1137608795.db2.gz UNQXFYSOSFSTPJ-GFCCVEGCSA-N -1 0 339.391 3.868 20 0 EHADRM CCC1CCN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])CC1 ZINC000874106412 1137610656 /nfs/dbraw/zinc/61/06/56/1137610656.db2.gz CROSVHTZANLYAL-UHFFFAOYSA-N -1 0 327.380 3.727 20 0 EHADRM CCON(CC)C(=O)N=c1[n-]nc(SCc2ccccc2)s1 ZINC000877972691 1137697730 /nfs/dbraw/zinc/69/77/30/1137697730.db2.gz DZWRZUGOXSWVOJ-UHFFFAOYSA-N -1 0 338.458 3.636 20 0 EHADRM Cc1ccc(N(CC2CC2)C(=O)c2n[n-]c3ccccc3c2=O)cc1 ZINC000923680475 1137743616 /nfs/dbraw/zinc/74/36/16/1137743616.db2.gz WFSQJKKTLHQWSQ-UHFFFAOYSA-N -1 0 333.391 3.701 20 0 EHADRM Cc1c2ccccc2oc1C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1 ZINC000131589503 1137856911 /nfs/dbraw/zinc/85/69/11/1137856911.db2.gz HHBWQPPZVGVNFK-CYBMUJFWSA-N -1 0 343.404 3.562 20 0 EHADRM O=C(Nc1ccn(Cc2ccccc2)n1)c1cc(Cl)ccc1[O-] ZINC001626281983 1137869107 /nfs/dbraw/zinc/86/91/07/1137869107.db2.gz AGNRYOXFSXJIHL-UHFFFAOYSA-N -1 0 327.771 3.543 20 0 EHADRM O=C(NCc1ccc(Cl)nc1)c1cc(Cl)cc(Cl)c1[O-] ZINC001626125220 1137878243 /nfs/dbraw/zinc/87/82/43/1137878243.db2.gz YNOUCPJBGUPFGP-UHFFFAOYSA-N -1 0 331.586 3.677 20 0 EHADRM CC(C)(C)[C@H]([N-]S(=O)(=O)/C=C/c1ccccc1F)C(F)(F)F ZINC000800044359 1137895511 /nfs/dbraw/zinc/89/55/11/1137895511.db2.gz ZPSDWTLHNHPBDV-BCPZQOPPSA-N -1 0 339.354 3.693 20 0 EHADRM O=C(COC(=O)c1ccc([O-])c(Cl)c1)Cc1ccccc1Cl ZINC000800084001 1137896644 /nfs/dbraw/zinc/89/66/44/1137896644.db2.gz WSGJYGQYMBUBOG-UHFFFAOYSA-N -1 0 339.174 3.668 20 0 EHADRM O=C([O-])C1CCC(NC(=O)c2cccc(OC3CCCCC3)c2)CC1 ZINC000331832949 1137922225 /nfs/dbraw/zinc/92/22/25/1137922225.db2.gz SEXUMSWKFBVFRS-UHFFFAOYSA-N -1 0 345.439 3.771 20 0 EHADRM C[C@H]1CCN(C(=O)N=c2[n-]nc(-c3ccsc3)s2)CC1(C)C ZINC000331930661 1137925939 /nfs/dbraw/zinc/92/59/39/1137925939.db2.gz LANYERUSOIQSML-JTQLQIEISA-N -1 0 336.486 3.588 20 0 EHADRM Cc1c(S(=O)(=O)[N-]c2c(C(C)C)cccc2C(C)C)cnn1C ZINC000013948607 1137928334 /nfs/dbraw/zinc/92/83/34/1137928334.db2.gz UOYOYSPDBMLPPB-UHFFFAOYSA-N -1 0 335.473 3.776 20 0 EHADRM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cn3c(n2)CCC[C@H]3C)c1 ZINC000332111836 1137932053 /nfs/dbraw/zinc/93/20/53/1137932053.db2.gz ADDXTLRKIGHZMQ-LLVKDONJSA-N -1 0 339.848 3.543 20 0 EHADRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N(C)[C@@H]3CCCC[C@H]3C)n2)c1 ZINC000332645375 1137949976 /nfs/dbraw/zinc/94/99/76/1137949976.db2.gz IQPCQEVAVSRBAQ-UKRRQHHQSA-N -1 0 345.418 3.676 20 0 EHADRM O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1c([O-])cccc1F ZINC000120708282 1137952000 /nfs/dbraw/zinc/95/20/00/1137952000.db2.gz OHGNQKCFJNWUDL-ZDUSSCGKSA-N -1 0 345.370 3.732 20 0 EHADRM CC1(C)CN(C(=O)N=c2[n-]nc(-c3ccsc3)s2)[C@@H]2CCC[C@H]21 ZINC000333048945 1137953811 /nfs/dbraw/zinc/95/38/11/1137953811.db2.gz BSBRTONFZMTHOH-VXGBXAGGSA-N -1 0 348.497 3.731 20 0 EHADRM O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1s[n-]c(=O)c1Cl ZINC001137209167 1137958702 /nfs/dbraw/zinc/95/87/02/1137958702.db2.gz VWAMRENCHORFHP-RQJHMYQMSA-N -1 0 342.770 3.601 20 0 EHADRM CCSCc1cccnc1[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000886444531 1138078602 /nfs/dbraw/zinc/07/86/02/1138078602.db2.gz AHDNHBNGNNHTEP-UHFFFAOYSA-N -1 0 340.445 3.583 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000074426110 1138120349 /nfs/dbraw/zinc/12/03/49/1138120349.db2.gz ADMLZQMZQUYJQL-GFCCVEGCSA-N -1 0 347.484 3.550 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1c(C)cccc1C(C)C ZINC000091053035 1138215234 /nfs/dbraw/zinc/21/52/34/1138215234.db2.gz BLDUFNORZSVGMK-UHFFFAOYSA-N -1 0 325.455 3.989 20 0 EHADRM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)N1CCC[C@H]1c1ccccc1Cl ZINC000887306114 1138260094 /nfs/dbraw/zinc/26/00/94/1138260094.db2.gz JNBMPERXHIHOSH-FXSNYSBCSA-N -1 0 345.826 3.526 20 0 EHADRM CC[C@](C)(CC(=O)[O-])C(=O)Nc1ccc(N2CCCCC2)c(F)c1 ZINC000887317596 1138263551 /nfs/dbraw/zinc/26/35/51/1138263551.db2.gz NIDDVFLGODQAKU-GOSISDBHSA-N -1 0 336.407 3.646 20 0 EHADRM CC(C)c1cc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)ccc1O ZINC000887317310 1138263740 /nfs/dbraw/zinc/26/37/40/1138263740.db2.gz GZBMMKDRDRDDKE-INIZCTEOSA-N -1 0 327.380 3.713 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)NC(=O)c1cc(F)c(F)cc1C(=O)[O-] ZINC000887319233 1138264536 /nfs/dbraw/zinc/26/45/36/1138264536.db2.gz PCBWJPZOMRORFO-QGZVFWFLSA-N -1 0 347.361 3.660 20 0 EHADRM CCC[C@H](NC(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1)C(=O)[O-] ZINC000887382647 1138294366 /nfs/dbraw/zinc/29/43/66/1138294366.db2.gz NNDLSKXKDYAUMO-WDEREUQCSA-N -1 0 336.285 3.634 20 0 EHADRM O=c1[n-]c([C@@H]2CCCCN2CCc2cccc(Cl)c2Cl)n[nH]1 ZINC000333681367 1138318869 /nfs/dbraw/zinc/31/88/69/1138318869.db2.gz LHXLTMHTWMTSLE-LBPRGKRZSA-N -1 0 341.242 3.587 20 0 EHADRM O=S(=O)([N-]c1ccc(F)c(C2CC2)c1)c1cc(F)c(F)cc1F ZINC000337161260 1138482658 /nfs/dbraw/zinc/48/26/58/1138482658.db2.gz UIZLTUAXNSQLCU-UHFFFAOYSA-N -1 0 345.317 3.921 20 0 EHADRM CC(C)(C)Nc1ccccc1[N-]S(=O)(=O)c1c[nH]c2ncccc12 ZINC000337197399 1138492546 /nfs/dbraw/zinc/49/25/46/1138492546.db2.gz XCGFTZXVFGJUIZ-UHFFFAOYSA-N -1 0 344.440 3.574 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2cncc(F)c2)c2ccccc12 ZINC000337312142 1138528775 /nfs/dbraw/zinc/52/87/75/1138528775.db2.gz WWEBBUBIFGEEMA-UHFFFAOYSA-N -1 0 346.383 3.573 20 0 EHADRM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1cccc2c[nH]nc21 ZINC000348449614 1138581492 /nfs/dbraw/zinc/58/14/92/1138581492.db2.gz NOSROTWYSAWFPF-UHFFFAOYSA-N -1 0 345.355 3.557 20 0 EHADRM CO[C@H](C)c1nc(=NC(=O)c2ccc(C(C)C)c(Cl)c2)s[n-]1 ZINC000338031510 1138728261 /nfs/dbraw/zinc/72/82/61/1138728261.db2.gz SPSHKEXFBWIVBA-SECBINFHSA-N -1 0 339.848 3.697 20 0 EHADRM CCOc1c(Cl)cc([N-]S(=O)(=O)c2ccoc2)cc1Cl ZINC000350831594 1139481240 /nfs/dbraw/zinc/48/12/40/1139481240.db2.gz MQRRARFPOHNWAR-UHFFFAOYSA-N -1 0 336.196 3.786 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC2CCCC2)c1Cl ZINC000777353859 1139795405 /nfs/dbraw/zinc/79/54/05/1139795405.db2.gz DYTAGCFRPAVMAP-LBPRGKRZSA-N -1 0 343.876 3.670 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)CC2CCCCCC2)c1Cl ZINC000777354463 1139815217 /nfs/dbraw/zinc/81/52/17/1139815217.db2.gz OFAMWLYSIKXZFM-UHFFFAOYSA-N -1 0 343.876 3.814 20 0 EHADRM Cc1cc(/C=C\C(=O)NC[C@H](C)CC(=O)[O-])c(C)n1C1CCCCC1 ZINC000777396446 1140039061 /nfs/dbraw/zinc/03/90/61/1140039061.db2.gz GEOIGMPCYVSHJB-CFYYFVFUSA-N -1 0 346.471 3.850 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000184511214 1140107041 /nfs/dbraw/zinc/10/70/41/1140107041.db2.gz HYDULRWVMIFGAH-CQSZACIVSA-N -1 0 348.805 3.901 20 0 EHADRM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000186822628 1140223441 /nfs/dbraw/zinc/22/34/41/1140223441.db2.gz BNUYUIFWNMIJEF-GWCFXTLKSA-N -1 0 335.325 3.828 20 0 EHADRM Cc1nc([C@H]2CCCN2C(=O)c2cc(F)c(F)c([O-])c2F)cs1 ZINC000190009871 1140379678 /nfs/dbraw/zinc/37/96/78/1140379678.db2.gz FHFKZWOSCRWEQK-LLVKDONJSA-N -1 0 342.342 3.552 20 0 EHADRM COc1ccc(C2(C(=O)[N-]OC3CCCC3)CCCC2)cc1OC ZINC000777461257 1140394868 /nfs/dbraw/zinc/39/48/68/1140394868.db2.gz HASKIWWTRDTOAZ-UHFFFAOYSA-N -1 0 333.428 3.506 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCC(c2ccncc2)CC1 ZINC000192388900 1140527861 /nfs/dbraw/zinc/52/78/61/1140527861.db2.gz JBQJOXGZTGLNRH-UHFFFAOYSA-N -1 0 334.778 3.600 20 0 EHADRM C[C@H](CCC(=O)Nc1cccc(Cl)c1[O-])NC(=O)OC(C)(C)C ZINC000192440255 1140532013 /nfs/dbraw/zinc/53/20/13/1140532013.db2.gz LLIGAFVMWMEVIS-SNVBAGLBSA-N -1 0 342.823 3.678 20 0 EHADRM O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1cc(F)c([O-])c(Cl)c1 ZINC000192488646 1140535697 /nfs/dbraw/zinc/53/56/97/1140535697.db2.gz GJZAGJCUENRHJI-XJKSGUPXSA-N -1 0 349.789 3.835 20 0 EHADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)c1nc(-c2ccccc2Cl)no1 ZINC000193937891 1140590906 /nfs/dbraw/zinc/59/09/06/1140590906.db2.gz OTWBAXLOCKFZET-JTQLQIEISA-N -1 0 347.724 3.766 20 0 EHADRM Cc1ccc([C@@H]2CSCCN2C(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000194416493 1140608734 /nfs/dbraw/zinc/60/87/34/1140608734.db2.gz IOZHKTZHXPFMSP-JCYILVPMSA-N -1 0 347.480 3.503 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nnc(C3CCCCC3)o2)c(C)s1 ZINC000194781671 1140622091 /nfs/dbraw/zinc/62/20/91/1140622091.db2.gz YVOWIQGGQAKJKX-UHFFFAOYSA-N -1 0 341.458 3.596 20 0 EHADRM CC1=C(C(=O)Nc2cc(Br)cc(Cl)c2[O-])CCCO1 ZINC000270633436 1141248855 /nfs/dbraw/zinc/24/88/55/1141248855.db2.gz HJIISKYJPQCNFK-UHFFFAOYSA-N -1 0 346.608 3.831 20 0 EHADRM Cc1sc(/C=C\c2cnc(-c3ccccn3)s2)nc1C(=O)[O-] ZINC000339114219 1141500881 /nfs/dbraw/zinc/50/08/81/1141500881.db2.gz PQGGGKNMCOAMDC-WAYWQWQTSA-N -1 0 329.406 3.839 20 0 EHADRM C[C@H](N=c1[n-]nc(-c2ccccc2)s1)c1ccc([S@@](C)=O)cc1 ZINC000339216278 1141530935 /nfs/dbraw/zinc/53/09/35/1141530935.db2.gz KVKJFGMHLZFFJL-DAOPMYJZSA-N -1 0 343.477 3.538 20 0 EHADRM O=C(N[C@@H]1CCc2c1cccc2Cl)c1s[n-]c(=O)c1Cl ZINC000339253294 1141541034 /nfs/dbraw/zinc/54/10/34/1141541034.db2.gz KJDDMWCSYKGQIR-SECBINFHSA-N -1 0 329.208 3.573 20 0 EHADRM C[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1c(F)cccc1F ZINC000348641066 1141560613 /nfs/dbraw/zinc/56/06/13/1141560613.db2.gz IWNGMIOWXXJGND-ZCFIWIBFSA-N -1 0 331.240 3.579 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc(Cl)ccc1Cl)C1CCCCC1 ZINC000038036182 213194083 /nfs/dbraw/zinc/19/40/83/213194083.db2.gz UDBZWRRPTDMFLF-ZDUSSCGKSA-N -1 0 330.211 3.757 20 0 EHADRM Cc1cc(COc2ccc(Br)cc2F)oc1C(=O)[O-] ZINC000036810914 213120149 /nfs/dbraw/zinc/12/01/49/213120149.db2.gz QJCUEIACIBVXJI-UHFFFAOYSA-N -1 0 329.121 3.767 20 0 EHADRM Cc1ccc(C(=O)Nc2cc(Br)ccc2C(=O)[O-])s1 ZINC000037742336 213164220 /nfs/dbraw/zinc/16/42/20/213164220.db2.gz ATZPXZIPZJWHLM-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM CCC(CC)(CC(=O)Nc1cc(C)c(Cl)cc1OC)C(=O)[O-] ZINC000022727714 212319673 /nfs/dbraw/zinc/31/96/73/212319673.db2.gz XIBXPHHLOSBYED-UHFFFAOYSA-N -1 0 327.808 3.877 20 0 EHADRM Cc1ccc(NC(=O)Cc2ccc(Br)cc2)c(C(=O)[O-])c1 ZINC000019807081 212071327 /nfs/dbraw/zinc/07/13/27/212071327.db2.gz NVBPLDKPHFMYCV-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000009948983 211134916 /nfs/dbraw/zinc/13/49/16/211134916.db2.gz VHDRULKEZGXCGQ-NSHDSACASA-N -1 0 333.771 3.753 20 0 EHADRM O=C([O-])CCCCCNC(=O)CCSc1ccccc1Cl ZINC000037406745 527579933 /nfs/dbraw/zinc/57/99/33/527579933.db2.gz VJIGZBVDSQJUAK-UHFFFAOYSA-N -1 0 329.849 3.583 20 0 EHADRM Cc1cc(Sc2ccccc2)ccc1NC(=O)N[C@@H](C)C(=O)[O-] ZINC000818853081 597174697 /nfs/dbraw/zinc/17/46/97/597174697.db2.gz AMEWPJFHSJHZHS-LBPRGKRZSA-N -1 0 330.409 3.741 20 0 EHADRM CC[C@@H]1c2ccsc2CCN1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737795700 597195524 /nfs/dbraw/zinc/19/55/24/597195524.db2.gz KKFBMFQXPVJFSE-OAHLLOKOSA-N -1 0 344.436 3.917 20 0 EHADRM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000818071235 597229401 /nfs/dbraw/zinc/22/94/01/597229401.db2.gz KZFZBCCDGOWKIF-LLVKDONJSA-N -1 0 348.349 3.566 20 0 EHADRM COc1ccccc1NC(=O)[C@H](C)SCc1ccc(C(=O)[O-])cc1 ZINC000013062600 597284077 /nfs/dbraw/zinc/28/40/77/597284077.db2.gz YEFOMUZYSWXLCG-LBPRGKRZSA-N -1 0 345.420 3.654 20 0 EHADRM COc1ccccc1[C@@H]1CCCCN1C(=O)NCCCCCC(=O)[O-] ZINC000818631178 597304659 /nfs/dbraw/zinc/30/46/59/597304659.db2.gz HZRCNBXOQUVVKW-INIZCTEOSA-N -1 0 348.443 3.577 20 0 EHADRM Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccccc2CC(=O)[O-])s1 ZINC000818990684 597338601 /nfs/dbraw/zinc/33/86/01/597338601.db2.gz MHKQELOYLADYAR-LLVKDONJSA-N -1 0 347.440 3.612 20 0 EHADRM CCOc1ccccc1[C@H](C)NC(=O)Nc1ccccc1CC(=O)[O-] ZINC000818251218 597339753 /nfs/dbraw/zinc/33/97/53/597339753.db2.gz XGZBVLZWSABUPY-ZDUSSCGKSA-N -1 0 342.395 3.595 20 0 EHADRM C[C@H](c1ccccc1F)N(C)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000324756435 597341075 /nfs/dbraw/zinc/34/10/75/597341075.db2.gz WDKVGSIHMICBIU-GFCCVEGCSA-N -1 0 330.359 3.678 20 0 EHADRM CC[C@H](NC(=O)Nc1ccccc1CC(=O)[O-])c1ccc(OC)cc1 ZINC000818143749 597341451 /nfs/dbraw/zinc/34/14/51/597341451.db2.gz RVNBCNRKOYCPSK-INIZCTEOSA-N -1 0 342.395 3.595 20 0 EHADRM CCC[C@H](Cc1ccccc1)NC(=O)Nc1ccccc1CC(=O)[O-] ZINC000818157001 597343220 /nfs/dbraw/zinc/34/32/20/597343220.db2.gz HTZIXASQFQUNQG-QGZVFWFLSA-N -1 0 340.423 3.847 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)N[C@H](CC(C)C)C(=O)[O-])cc2)oc1C ZINC000818981453 597492817 /nfs/dbraw/zinc/49/28/17/597492817.db2.gz VJBRKKKBNJFRDL-OAHLLOKOSA-N -1 0 345.399 3.579 20 0 EHADRM Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)O[C@H](C)C(=O)[O-] ZINC000821248040 597710597 /nfs/dbraw/zinc/71/05/97/597710597.db2.gz AEUPWOSRWVNVFY-SSDOTTSWSA-N -1 0 344.150 3.587 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2c(F)cccc2Br)cc1 ZINC000232137172 598156561 /nfs/dbraw/zinc/15/65/61/598156561.db2.gz PAWQCFMUEYTSOQ-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM Cc1csc([C@H]2CCCN(C(=O)Nc3ccccc3C(=O)[O-])C2)n1 ZINC000821147194 598177725 /nfs/dbraw/zinc/17/77/25/598177725.db2.gz ZUKXRHWQHOCHNO-LBPRGKRZSA-N -1 0 345.424 3.561 20 0 EHADRM Cc1c(NCc2cccc(C(=O)[O-])c2)cccc1C(=O)N1CCCC1 ZINC000263482631 598204657 /nfs/dbraw/zinc/20/46/57/598204657.db2.gz OKCRNBIBGJNRMW-UHFFFAOYSA-N -1 0 338.407 3.541 20 0 EHADRM Cc1c(CSC(C)C)cccc1NC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000780589805 598207221 /nfs/dbraw/zinc/20/72/21/598207221.db2.gz MKANURKRNPARHO-HNNXBMFYSA-N -1 0 336.457 3.718 20 0 EHADRM CCC1(C)CCN(C(=O)c2ccccc2S[C@H](C)C(=O)[O-])CC1 ZINC000736929630 599702578 /nfs/dbraw/zinc/70/25/78/599702578.db2.gz ODAGECGVTQFXKG-CYBMUJFWSA-N -1 0 335.469 3.904 20 0 EHADRM Cc1nc2ccc(NC(=O)c3ccccc3NC(=O)[O-])cc2s1 ZINC000738876587 599705831 /nfs/dbraw/zinc/70/58/31/599705831.db2.gz ZFNVIABRNVYYLO-UHFFFAOYSA-N -1 0 327.365 3.947 20 0 EHADRM Cc1cccc(N(Cc2ccccc2)C(=O)CCCNC(=O)[O-])c1 ZINC000738725502 599710726 /nfs/dbraw/zinc/71/07/26/599710726.db2.gz PWXBQHSKQIQHTM-UHFFFAOYSA-N -1 0 326.396 3.576 20 0 EHADRM CCCN(Cc1cc(C(=O)[O-])oc1C)[C@H](C)C(=O)Nc1ccccc1 ZINC000737020139 599714486 /nfs/dbraw/zinc/71/44/86/599714486.db2.gz RJBNYVPAFSNICW-CYBMUJFWSA-N -1 0 344.411 3.525 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)NCc2ccccc2Cl)ccc1F ZINC000740008490 599716290 /nfs/dbraw/zinc/71/62/90/599716290.db2.gz NPJNRFFEGHZCTL-UHFFFAOYSA-N -1 0 337.738 3.891 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N2CCC[C@@H]2c2ccccn2)ccc1F ZINC000740006214 599718836 /nfs/dbraw/zinc/71/88/36/599718836.db2.gz SRNFAEAMQIBWIM-OAHLLOKOSA-N -1 0 344.346 3.680 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cc(F)c(Cl)cc2Cl)c1O ZINC000317524642 599718919 /nfs/dbraw/zinc/71/89/19/599718919.db2.gz SSVKYPSFFJIQTE-UHFFFAOYSA-N -1 0 344.125 3.789 20 0 EHADRM CSCc1ccc(NC(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000738194549 599719457 /nfs/dbraw/zinc/71/94/57/599719457.db2.gz CUYRCQVKDZUPEM-UHFFFAOYSA-N -1 0 348.424 3.813 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000679399430 599725105 /nfs/dbraw/zinc/72/51/05/599725105.db2.gz AZHZRXBYUZTWGC-KFKAGJAMSA-N -1 0 337.419 3.799 20 0 EHADRM C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)CCCN(C)C(=O)[O-] ZINC000736716834 599730974 /nfs/dbraw/zinc/73/09/74/599730974.db2.gz IOXZVJDLXHKYAJ-LLVKDONJSA-N -1 0 346.349 3.615 20 0 EHADRM CN(CCCC(=O)N[C@@H](c1ccccc1)C1CCCCC1)C(=O)[O-] ZINC000737423831 599733581 /nfs/dbraw/zinc/73/35/81/599733581.db2.gz UNFZOUSPADISMR-SFHVURJKSA-N -1 0 332.444 3.814 20 0 EHADRM CN(CCCC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1)C(=O)[O-] ZINC000737424487 599735235 /nfs/dbraw/zinc/73/52/35/599735235.db2.gz YPSLZOVZXKFHOF-HNNXBMFYSA-N -1 0 338.423 3.809 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)cc1 ZINC000347102172 599745053 /nfs/dbraw/zinc/74/50/53/599745053.db2.gz HQWARYYALMVREB-UHFFFAOYSA-N -1 0 342.782 3.630 20 0 EHADRM Cc1cc(-c2ccccc2)ccc1NC(=O)CCSCC(=O)[O-] ZINC000738313724 599745262 /nfs/dbraw/zinc/74/52/62/599745262.db2.gz GFHKHSODXCRTSF-UHFFFAOYSA-N -1 0 329.421 3.808 20 0 EHADRM O=C([O-])c1cc(Oc2ccccc2)ccc1NC(=O)[C@H]1CCCOC1 ZINC000740087791 599746461 /nfs/dbraw/zinc/74/64/61/599746461.db2.gz OLKRKGURDUXSJK-ZDUSSCGKSA-N -1 0 341.363 3.542 20 0 EHADRM CCC/C=C/C(=O)N(Cc1ccoc1C(=O)[O-])[C@@H](C)c1ccccn1 ZINC000736974549 599748329 /nfs/dbraw/zinc/74/83/29/599748329.db2.gz MILXZWGCYZELQI-KVEVGEHQSA-N -1 0 342.395 3.819 20 0 EHADRM Cc1nc(CC(C)C)sc1C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000738348833 599748369 /nfs/dbraw/zinc/74/83/69/599748369.db2.gz CYLICRHIUCKBST-UHFFFAOYSA-N -1 0 334.397 3.959 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N(C(=O)CCSCC(=O)[O-])C1CC1 ZINC000736717157 599748603 /nfs/dbraw/zinc/74/86/03/599748603.db2.gz LKABBFPKBTWTFQ-NSHDSACASA-N -1 0 341.860 3.600 20 0 EHADRM CCN(C(=O)CCSCC(=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000737052846 599750582 /nfs/dbraw/zinc/75/05/82/599750582.db2.gz JFGTUMBUDUXFTM-LBPRGKRZSA-N -1 0 335.425 3.550 20 0 EHADRM CC(C)Sc1ccc([C@@H](C)NC(=O)CCCN(C)C(=O)[O-])cc1 ZINC000736499981 599754378 /nfs/dbraw/zinc/75/43/78/599754378.db2.gz OESIDTGVNFFROL-CYBMUJFWSA-N -1 0 338.473 3.754 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Nc1ccc2scnc2c1)c1ccccc1 ZINC000738565388 599758151 /nfs/dbraw/zinc/75/81/51/599758151.db2.gz KKGVMCJBVBJJKF-ZDUSSCGKSA-N -1 0 341.392 3.634 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2cc(C(=O)[O-])ccc2C)cc1C ZINC000170583913 599761967 /nfs/dbraw/zinc/76/19/67/599761967.db2.gz JXBIFYBFDNIYMK-UHFFFAOYSA-N -1 0 339.391 3.912 20 0 EHADRM CCSc1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)[O-])cn1 ZINC000737229052 599763541 /nfs/dbraw/zinc/76/35/41/599763541.db2.gz HZBAPZULGRLNMU-UHFFFAOYSA-N -1 0 336.438 3.822 20 0 EHADRM COc1cc(Cl)ccc1CNc1nc(Cl)c(C(=O)[O-])s1 ZINC000737888444 599763965 /nfs/dbraw/zinc/76/39/65/599763965.db2.gz DSZRPKCWOZNYBX-UHFFFAOYSA-N -1 0 333.196 3.769 20 0 EHADRM Cc1ccc2c(CC(=O)Nc3ccc(CCC(=O)[O-])cc3)coc2c1 ZINC000237879399 599767094 /nfs/dbraw/zinc/76/70/94/599767094.db2.gz BPCBNESVAQXPLG-UHFFFAOYSA-N -1 0 337.375 3.940 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)C2(c3ccc(F)cc3)CCC2)cc1 ZINC000238035926 599768953 /nfs/dbraw/zinc/76/89/53/599768953.db2.gz ODMRCBKLZLZYLM-UHFFFAOYSA-N -1 0 341.382 3.903 20 0 EHADRM C[C@@H](CNC(=O)/C=C\c1ccc(-c2ccccc2Cl)s1)C(=O)[O-] ZINC000736595344 599773680 /nfs/dbraw/zinc/77/36/80/599773680.db2.gz FQXQABMIAUXWBQ-DVBBHNHCSA-N -1 0 349.839 3.919 20 0 EHADRM C[C@H](CNC(=O)c1ccc(Oc2cccc(Cl)c2)cc1)C(=O)[O-] ZINC000736605728 599782415 /nfs/dbraw/zinc/78/24/15/599782415.db2.gz MJAUDZAECBSJEO-LLVKDONJSA-N -1 0 333.771 3.583 20 0 EHADRM O=C([O-])[C@H](NCc1csc(-c2ccsc2)n1)c1ccccc1 ZINC000315631638 599783867 /nfs/dbraw/zinc/78/38/67/599783867.db2.gz UYVHRMOQTAAIRG-CQSZACIVSA-N -1 0 330.434 3.787 20 0 EHADRM Cc1oc(-c2ccsc2)nc1CN[C@@H](C(=O)[O-])c1ccccc1 ZINC000738958189 599787571 /nfs/dbraw/zinc/78/75/71/599787571.db2.gz VJVVZUJWQDRPKM-OAHLLOKOSA-N -1 0 328.393 3.627 20 0 EHADRM CC(C)(C)c1nc(CN[C@@H](C(=O)[O-])c2cc(F)ccc2F)cs1 ZINC000683173625 599788041 /nfs/dbraw/zinc/78/80/41/599788041.db2.gz NIOMVENAJGOHRH-CYBMUJFWSA-N -1 0 340.395 3.634 20 0 EHADRM Cc1ccc(-c2cc(COC(=O)c3ccccc3C(=O)[O-])on2)cc1 ZINC000738489079 599788393 /nfs/dbraw/zinc/78/83/93/599788393.db2.gz ZQJPRTXDOSMGCQ-UHFFFAOYSA-N -1 0 337.331 3.705 20 0 EHADRM O=C([O-])c1ccccc1C(=O)OCc1cc(-c2ccc(F)cc2)no1 ZINC000740240747 599789638 /nfs/dbraw/zinc/78/96/38/599789638.db2.gz DUNUVPNKFAUVEI-UHFFFAOYSA-N -1 0 341.294 3.536 20 0 EHADRM COc1ccccc1[C@@H]1CCCN1C(=O)NCCCCCCC(=O)[O-] ZINC000738128285 599790304 /nfs/dbraw/zinc/79/03/04/599790304.db2.gz MYQYMPNRGDZLDO-INIZCTEOSA-N -1 0 348.443 3.577 20 0 EHADRM CC[C@](C)(NC(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000736861864 599795384 /nfs/dbraw/zinc/79/53/84/599795384.db2.gz SIKWGLZKXUFQCM-FQEVSTJZSA-N -1 0 340.423 3.552 20 0 EHADRM C/C(=C\C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F)C1CC1 ZINC000736120041 599799262 /nfs/dbraw/zinc/79/92/62/599799262.db2.gz DLLFWBJGEYWNPP-RMKNXTFCSA-N -1 0 343.301 3.621 20 0 EHADRM Cc1ccccc1[C@@H](OC(=O)CCCNC(=O)[O-])c1cccs1 ZINC000738758913 599800947 /nfs/dbraw/zinc/80/09/47/599800947.db2.gz SRNRNWXTZIZRND-MRXNPFEDSA-N -1 0 333.409 3.737 20 0 EHADRM O=C([O-])c1sccc1NC(=O)/C=C\c1ccc(F)c(Cl)c1 ZINC000208030084 599803205 /nfs/dbraw/zinc/80/32/05/599803205.db2.gz CMCMEJPAKPJHKC-RQOWECAXSA-N -1 0 325.748 3.891 20 0 EHADRM O=C([O-])c1cccc(OC(=O)c2ccc(Br)cc2F)c1 ZINC000738689537 599804934 /nfs/dbraw/zinc/80/49/34/599804934.db2.gz CIAYXWACRAZPAW-UHFFFAOYSA-N -1 0 339.116 3.506 20 0 EHADRM CCCCC[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccccc1 ZINC000728169594 599807310 /nfs/dbraw/zinc/80/73/10/599807310.db2.gz TUNLDAVPKXVATE-INIZCTEOSA-N -1 0 326.396 3.831 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)C[C@@H]2CCCc3ccccc32)c1 ZINC000238030123 599814256 /nfs/dbraw/zinc/81/42/56/599814256.db2.gz KQWYRSQJNSLVTR-HNNXBMFYSA-N -1 0 339.391 3.599 20 0 EHADRM Cc1cccc2c1CC[C@@H]2NC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000738748014 599819809 /nfs/dbraw/zinc/81/98/09/599819809.db2.gz OWFAXNDZXRSDCV-INIZCTEOSA-N -1 0 325.368 3.894 20 0 EHADRM CCN(CCC(F)(F)F)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000737100613 599820250 /nfs/dbraw/zinc/82/02/50/599820250.db2.gz BPTSQCSHHODWMP-UHFFFAOYSA-N -1 0 333.310 3.607 20 0 EHADRM CC[C@H](C)N(C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000736882279 599820482 /nfs/dbraw/zinc/82/04/82/599820482.db2.gz FNGSPTJEFLGJNU-VIFPVBQESA-N -1 0 348.321 3.588 20 0 EHADRM C[C@H](CCc1ccccc1)NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000326983240 599826887 /nfs/dbraw/zinc/82/68/87/599826887.db2.gz VOSHBHPLBSOCJA-OAHLLOKOSA-N -1 0 340.423 3.847 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2ccc(CCC(=O)[O-])cc2)s1 ZINC000322673453 599829076 /nfs/dbraw/zinc/82/90/76/599829076.db2.gz FCFMVDVPKRHPNI-LBPRGKRZSA-N -1 0 332.425 3.956 20 0 EHADRM CCCCOc1ccc(/C=C(\C(=O)[O-])c2ccncc2)cc1OC ZINC000737000230 599831044 /nfs/dbraw/zinc/83/10/44/599831044.db2.gz XCPTXHYRBMPRGY-VBKFSLOCSA-N -1 0 327.380 3.894 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000736627489 599834529 /nfs/dbraw/zinc/83/45/29/599834529.db2.gz QYIFCQWBVRAOTL-JTQLQIEISA-N -1 0 347.411 3.891 20 0 EHADRM Cc1sc(NC(=O)[C@@H]2CCOc3ccccc32)c(C(=O)[O-])c1C ZINC000320638944 599842655 /nfs/dbraw/zinc/84/26/55/599842655.db2.gz MGQFRNNIKGFLPZ-GFCCVEGCSA-N -1 0 331.393 3.568 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)Cc1ccc2c(c1)CCCC2 ZINC000324850230 599846037 /nfs/dbraw/zinc/84/60/37/599846037.db2.gz KFIMDHFMVJLQAC-UHFFFAOYSA-N -1 0 327.355 3.584 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)CSCc1ccc(F)cc1 ZINC000319679790 599846060 /nfs/dbraw/zinc/84/60/60/599846060.db2.gz VJKLUUPJZVNZGI-UHFFFAOYSA-N -1 0 337.347 3.535 20 0 EHADRM CC(C)c1cccc(NC(=O)CNc2cccc(F)c2C(=O)[O-])c1 ZINC000736521225 599855519 /nfs/dbraw/zinc/85/55/19/599855519.db2.gz MTBUAHAHLDSSKR-UHFFFAOYSA-N -1 0 330.359 3.698 20 0 EHADRM O=C([O-])CN(Cc1ccc(Cl)s1)Cc1ccc(F)c(F)c1 ZINC000739795907 599866811 /nfs/dbraw/zinc/86/68/11/599866811.db2.gz WOJYMRAPYKUVMK-UHFFFAOYSA-N -1 0 331.771 3.767 20 0 EHADRM CC[C@@H](CC(=O)O[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C)C(C)C ZINC000736893090 599870988 /nfs/dbraw/zinc/87/09/88/599870988.db2.gz UUASPOOLGZVVJT-OLZOCXBDSA-N -1 0 337.416 3.516 20 0 EHADRM O=C(/C=C\c1ccsc1)NCc1c2ccccc2sc1C(=O)[O-] ZINC000739216865 599872847 /nfs/dbraw/zinc/87/28/47/599872847.db2.gz WBADMZIPLGYBEF-WAYWQWQTSA-N -1 0 343.429 3.991 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000736886543 599884795 /nfs/dbraw/zinc/88/47/95/599884795.db2.gz JQHGIAUFYBXDJV-OGYKNIHVSA-N -1 0 345.439 3.589 20 0 EHADRM O=C([O-])c1coc(COC(=O)c2ccnc(Oc3ccccc3)c2)c1 ZINC000740271591 599885788 /nfs/dbraw/zinc/88/57/88/599885788.db2.gz PYUIRUMACDFQMG-UHFFFAOYSA-N -1 0 339.303 3.522 20 0 EHADRM CCC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000736971417 599886238 /nfs/dbraw/zinc/88/62/38/599886238.db2.gz BKNUEVIZOHQIQC-CJNGLKHVSA-N -1 0 334.416 3.630 20 0 EHADRM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000737106681 599895755 /nfs/dbraw/zinc/89/57/55/599895755.db2.gz UVVZUJDRCPPOPN-ZDUSSCGKSA-N -1 0 347.242 3.634 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Oc2ccccc2Br)c1 ZINC000740038639 599896317 /nfs/dbraw/zinc/89/63/17/599896317.db2.gz FTTLKFYNCRFASZ-UHFFFAOYSA-N -1 0 336.141 3.758 20 0 EHADRM Cc1ccc(C(=O)N2CCCc3c(C(=O)[O-])cccc32)cc1Cl ZINC000320792763 599900199 /nfs/dbraw/zinc/90/01/99/599900199.db2.gz XEFSFMIBEZGXKJ-UHFFFAOYSA-N -1 0 329.783 3.940 20 0 EHADRM CC(C)OCc1ccccc1CNC(=O)c1cccc(NC(=O)[O-])c1 ZINC000736485868 599902058 /nfs/dbraw/zinc/90/20/58/599902058.db2.gz FGZXBNJIHQOISD-UHFFFAOYSA-N -1 0 342.395 3.632 20 0 EHADRM CC(C)N(Cc1ccc(F)cc1)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736472281 599902087 /nfs/dbraw/zinc/90/20/87/599902087.db2.gz PPDFUPJOPYLEHR-UHFFFAOYSA-N -1 0 330.359 3.966 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000237245673 599902818 /nfs/dbraw/zinc/90/28/18/599902818.db2.gz MXSIPSCVLYLMPA-CQSZACIVSA-N -1 0 341.407 3.546 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C/C(=O)OCc1occc1C(=O)[O-] ZINC000736890880 599903999 /nfs/dbraw/zinc/90/39/99/599903999.db2.gz JKYIDGDQPUORBR-MMQHEFTJSA-N -1 0 344.363 3.912 20 0 EHADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cccc2ccccc21 ZINC000324674420 599904804 /nfs/dbraw/zinc/90/48/04/599904804.db2.gz LXERWNUUOCSJME-UHFFFAOYSA-N -1 0 341.388 3.647 20 0 EHADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccccc1C(C)C ZINC000390161455 599905261 /nfs/dbraw/zinc/90/52/61/599905261.db2.gz CUJATAZCYDBZLS-UHFFFAOYSA-N -1 0 333.409 3.617 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000740029189 599906535 /nfs/dbraw/zinc/90/65/35/599906535.db2.gz QBVSOLUATCMZTG-CYBMUJFWSA-N -1 0 338.285 3.810 20 0 EHADRM O=Cc1cc(C(=O)[O-])ccc1OCc1csc(-c2ccsc2)n1 ZINC000740318247 599909119 /nfs/dbraw/zinc/90/91/19/599909119.db2.gz WBAZJOCTINJBRH-UHFFFAOYSA-N -1 0 345.401 3.961 20 0 EHADRM Cc1cccc(C2(C(=O)NCCCCCCC(=O)[O-])CCCC2)c1 ZINC000237620350 599912477 /nfs/dbraw/zinc/91/24/77/599912477.db2.gz FVSQMIFQNZLNTE-UHFFFAOYSA-N -1 0 331.456 3.958 20 0 EHADRM Cc1cccc(C2(C(=O)Nc3ncc(C(=O)[O-])s3)CCCC2)c1 ZINC000738687700 599912556 /nfs/dbraw/zinc/91/25/56/599912556.db2.gz QLHRVALOMZLKHM-UHFFFAOYSA-N -1 0 330.409 3.600 20 0 EHADRM C[C@H](CC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1)c1ccccc1F ZINC000262660274 599914429 /nfs/dbraw/zinc/91/44/29/599914429.db2.gz UFZUKGKFJUJDHK-SJKOYZFVSA-N -1 0 347.361 3.791 20 0 EHADRM Cc1cc(NC(=O)CSCc2ccc(F)cc2)ccc1C(=O)[O-] ZINC000320834551 599918411 /nfs/dbraw/zinc/91/84/11/599918411.db2.gz ZYRTUAVFOGZNFC-UHFFFAOYSA-N -1 0 333.384 3.704 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)c(C)s1 ZINC000237794580 599921941 /nfs/dbraw/zinc/92/19/41/599921941.db2.gz VLKVBNWLZUCOPC-UHFFFAOYSA-N -1 0 335.450 3.935 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)c2cc3ccccc3[nH]2)c1 ZINC000238085540 599923325 /nfs/dbraw/zinc/92/33/25/599923325.db2.gz IFDFDRCHNZTLMJ-UHFFFAOYSA-N -1 0 340.404 3.738 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(C(=O)[O-])s2)cc1OCC(F)F ZINC000237658783 599926607 /nfs/dbraw/zinc/92/66/07/599926607.db2.gz AHDZIFRUZJYSIQ-UHFFFAOYSA-N -1 0 341.335 3.651 20 0 EHADRM C[C@H](CNC(=O)c1cc2c(s1)-c1ccccc1C(C)(C)C2)C(=O)[O-] ZINC000736600372 599929432 /nfs/dbraw/zinc/92/94/32/599929432.db2.gz FCEQUTVEQHQZKN-LLVKDONJSA-N -1 0 343.448 3.699 20 0 EHADRM Cc1ccc(CCC(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000193455309 599934064 /nfs/dbraw/zinc/93/40/64/599934064.db2.gz PBDLPRNGTKOSNJ-SFHVURJKSA-N -1 0 325.408 3.650 20 0 EHADRM Cc1ccc(S[C@H](C(=O)N(C)CC(=O)[O-])c2ccccc2)c(C)c1 ZINC000427754798 599939240 /nfs/dbraw/zinc/93/92/40/599939240.db2.gz FDOGUSYWIXQOLD-SFHVURJKSA-N -1 0 343.448 3.680 20 0 EHADRM Cc1cc(Cl)ccc1NC(=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC000738398874 599954222 /nfs/dbraw/zinc/95/42/22/599954222.db2.gz BAMGPXPSXXUWJB-UHFFFAOYSA-N -1 0 348.786 3.547 20 0 EHADRM CC1(CNC(=O)Nc2cccc(CSCC(=O)[O-])c2)CCCC1 ZINC000736738807 599956155 /nfs/dbraw/zinc/95/61/55/599956155.db2.gz QGOGJALMNPIOCJ-UHFFFAOYSA-N -1 0 336.457 3.706 20 0 EHADRM CC(C)[C@@H](OC(=O)c1cccc(NC(=O)[O-])c1)C(=O)c1ccccc1 ZINC000736388814 599997275 /nfs/dbraw/zinc/99/72/75/599997275.db2.gz GOFDVLKTEHOCIC-QGZVFWFLSA-N -1 0 341.363 3.841 20 0 EHADRM Cc1cc(C)cc(OCCOC(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000738369876 599999837 /nfs/dbraw/zinc/99/98/37/599999837.db2.gz RHLOOYLGYBEBFE-UHFFFAOYSA-N -1 0 329.352 3.629 20 0 EHADRM O=C([O-])C1CCC(Nc2ncnc3sc4c(c32)CCCC4)CC1 ZINC000263554864 600006839 /nfs/dbraw/zinc/00/68/39/600006839.db2.gz NQFNSJQRPWWBMS-UHFFFAOYSA-N -1 0 331.441 3.625 20 0 EHADRM CC(C)[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000325267666 600007425 /nfs/dbraw/zinc/00/74/25/600007425.db2.gz PPTYJTICRZBOAS-YGRLFVJLSA-N -1 0 340.370 3.999 20 0 EHADRM CC(C)c1ccc(NC(=O)C(=O)c2ccc(Cl)cc2)c(C(=O)[O-])c1 ZINC000736514752 600008463 /nfs/dbraw/zinc/00/84/63/600008463.db2.gz YYIXZCASZXDQKO-UHFFFAOYSA-N -1 0 345.782 3.983 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@H]1CCc2ccc(F)cc21 ZINC000738533185 600011213 /nfs/dbraw/zinc/01/12/13/600011213.db2.gz OBSXPQLGHYPVBJ-HNNXBMFYSA-N -1 0 328.343 3.641 20 0 EHADRM CCOc1ccccc1[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000737212259 600014430 /nfs/dbraw/zinc/01/44/30/600014430.db2.gz DYZUZISBMWFORU-CYBMUJFWSA-N -1 0 342.395 3.975 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c(C)c1 ZINC000738550556 600019356 /nfs/dbraw/zinc/01/93/56/600019356.db2.gz GFQFMOFUYLOKCH-AWEZNQCLSA-N -1 0 338.407 3.788 20 0 EHADRM CC(C)c1cc(C(=O)N2CCC[C@H](C(=O)[O-])C2)c(O)c(C(C)C)c1 ZINC000263394836 600019957 /nfs/dbraw/zinc/01/99/57/600019957.db2.gz FELIESCVBCCNHQ-ZDUSSCGKSA-N -1 0 333.428 3.576 20 0 EHADRM Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)[O-])ccc1Cl ZINC000738465616 600022192 /nfs/dbraw/zinc/02/21/92/600022192.db2.gz VFMXIWLFIUQCLA-NSHDSACASA-N -1 0 333.771 3.753 20 0 EHADRM Cc1ccc(-c2nc(C(=O)Oc3cccc(CC(=O)[O-])c3)cs2)o1 ZINC000738493078 600025047 /nfs/dbraw/zinc/02/50/47/600025047.db2.gz MTTMRKSQGIIOBC-UHFFFAOYSA-N -1 0 343.360 3.558 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)C2(c3ccc(F)cc3)CCCC2)c1 ZINC000739889848 600025285 /nfs/dbraw/zinc/02/52/85/600025285.db2.gz RJCWMLZTWNPNHP-UHFFFAOYSA-N -1 0 342.366 3.870 20 0 EHADRM Cc1cccc(C[C@H](CNC(=O)Nc2cc(F)ccc2C)C(=O)[O-])c1 ZINC000738709441 600026242 /nfs/dbraw/zinc/02/62/42/600026242.db2.gz UHUYVNBXOQRZFD-OAHLLOKOSA-N -1 0 344.386 3.508 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC000261607877 600026862 /nfs/dbraw/zinc/02/68/62/600026862.db2.gz DASSBGBYPQUUPJ-HSBZDZAISA-N -1 0 334.416 3.629 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263471208 600031305 /nfs/dbraw/zinc/03/13/05/600031305.db2.gz LJDOXIDUHIZSHU-JCYILVPMSA-N -1 0 332.444 3.813 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@@H]2CCc3ccc(F)cc32)ccc1Cl ZINC000738512033 600032728 /nfs/dbraw/zinc/03/27/28/600032728.db2.gz QKSFMULVBXAGLS-OAHLLOKOSA-N -1 0 348.761 3.986 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000238072761 600033074 /nfs/dbraw/zinc/03/30/74/600033074.db2.gz BKVKBLLMSLJLET-UHFFFAOYSA-N -1 0 337.297 3.975 20 0 EHADRM Cc1ccsc1-c1nnc(SCc2cc(C(=O)[O-])oc2C)o1 ZINC000738800306 600033545 /nfs/dbraw/zinc/03/35/45/600033545.db2.gz RGNHTFATZCHFAU-UHFFFAOYSA-N -1 0 336.394 3.998 20 0 EHADRM C[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccccc1Cl ZINC000237580381 600033905 /nfs/dbraw/zinc/03/39/05/600033905.db2.gz PZCYKGJAPGEOLV-GFCCVEGCSA-N -1 0 331.799 3.848 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N(Cc2ccccc2F)C2CC2)cc1 ZINC000238057529 600034832 /nfs/dbraw/zinc/03/48/32/600034832.db2.gz KNFZPYBWXJBELT-UHFFFAOYSA-N -1 0 341.382 3.648 20 0 EHADRM CC(C)c1ccc(CCNC(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000236643086 600034945 /nfs/dbraw/zinc/03/49/45/600034945.db2.gz NMWPENDACCXIIO-UHFFFAOYSA-N -1 0 339.435 3.800 20 0 EHADRM CC(C)[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000236597631 600035862 /nfs/dbraw/zinc/03/58/62/600035862.db2.gz MQPMHQZVLQQNAZ-LJQANCHMSA-N -1 0 343.398 3.970 20 0 EHADRM CCOc1ccc([C@@H](C)NC(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000675959437 600036002 /nfs/dbraw/zinc/03/60/02/600036002.db2.gz IDCOHCAUYFSYIM-CQSZACIVSA-N -1 0 341.407 3.594 20 0 EHADRM Cc1ccc(NC(=O)CCc2ccc(C(=O)[O-])cc2)c2cccnc12 ZINC000432113541 600036926 /nfs/dbraw/zinc/03/69/26/600036926.db2.gz HNTKYPAQELRYDX-UHFFFAOYSA-N -1 0 334.375 3.813 20 0 EHADRM CCN(Cc1ccccc1C)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000192923504 600037403 /nfs/dbraw/zinc/03/74/03/600037403.db2.gz ZOTSGAAXVIAAQL-UHFFFAOYSA-N -1 0 325.408 3.675 20 0 EHADRM CCC1CCC(N(C)C(=O)NCc2ccc(OC)c(C(=O)[O-])c2)CC1 ZINC000736939053 600041282 /nfs/dbraw/zinc/04/12/82/600041282.db2.gz CKLCXELJSXALEP-UHFFFAOYSA-N -1 0 348.443 3.504 20 0 EHADRM CC(C)[C@H]1CCCC[C@@H]1NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000325261196 600041439 /nfs/dbraw/zinc/04/14/39/600041439.db2.gz NWUFRLSFJAMVKB-SJORKVTESA-N -1 0 332.444 3.741 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)Cc1csc3ccccc13)C2 ZINC000740202389 600041521 /nfs/dbraw/zinc/04/15/21/600041521.db2.gz INJQLAODABJFBW-UHFFFAOYSA-N -1 0 337.400 3.684 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1cc3c(s1)CCCCC3)C2 ZINC000326344786 600041825 /nfs/dbraw/zinc/04/18/25/600041825.db2.gz MERSYJQVFDNEGB-UHFFFAOYSA-N -1 0 341.432 3.871 20 0 EHADRM Cc1ccc(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1-n1cccc1 ZINC000738507624 600044044 /nfs/dbraw/zinc/04/40/44/600044044.db2.gz IZHSMOZOWOOIEA-UHFFFAOYSA-N -1 0 346.386 3.640 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)CCc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000237544018 600044407 /nfs/dbraw/zinc/04/44/07/600044407.db2.gz CLNQQEZQWHAYPE-INIZCTEOSA-N -1 0 339.435 3.682 20 0 EHADRM Cc1ccc(C(C)(C)CNC(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000738547227 600044446 /nfs/dbraw/zinc/04/44/46/600044446.db2.gz RXWNRPOJNSKNSH-UHFFFAOYSA-N -1 0 339.435 3.720 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)CSc1ccccc1Cl)C2 ZINC000322027146 600046896 /nfs/dbraw/zinc/04/68/96/600046896.db2.gz QCQBZXRQVWSBSI-UHFFFAOYSA-N -1 0 347.823 3.673 20 0 EHADRM O=C([O-])C1CCC(NC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC000238076210 600052903 /nfs/dbraw/zinc/05/29/03/600052903.db2.gz AGUIJPWISMWXRD-UHFFFAOYSA-N -1 0 335.403 3.631 20 0 EHADRM O=C([O-])CCC(=O)Nc1ccc(F)cc1-c1nc2ccccc2s1 ZINC000738565192 600054084 /nfs/dbraw/zinc/05/40/84/600054084.db2.gz HTNRAPFIBOJROX-UHFFFAOYSA-N -1 0 344.367 3.906 20 0 EHADRM CC(=O)Nc1cccc([C@H](C)OC(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000736166738 600056496 /nfs/dbraw/zinc/05/64/96/600056496.db2.gz BMVQNCTVXPHULS-NSHDSACASA-N -1 0 342.351 3.653 20 0 EHADRM COc1ccc(C[C@@H](C)OC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000737985304 600057268 /nfs/dbraw/zinc/05/72/68/600057268.db2.gz UHZKWQCOQZPACW-GFCCVEGCSA-N -1 0 329.352 3.573 20 0 EHADRM CC(C)Sc1ccc([C@@H](C)NC(=S)NCCCC(=O)[O-])cc1 ZINC000736498910 600059124 /nfs/dbraw/zinc/05/91/24/600059124.db2.gz JTQFVZNQDOLJES-GFCCVEGCSA-N -1 0 340.514 3.577 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)CCc1ccccc1C ZINC000737873955 600061172 /nfs/dbraw/zinc/06/11/72/600061172.db2.gz UHNJCVZROWMCNF-DHZHZOJOSA-N -1 0 340.375 3.640 20 0 EHADRM Cc1cccc2[nH]cc(CC(=O)Nc3cc(C(=O)[O-])c(F)cc3F)c21 ZINC000738746778 600061964 /nfs/dbraw/zinc/06/19/64/600061964.db2.gz KYABQHPGHAIZME-UHFFFAOYSA-N -1 0 344.317 3.634 20 0 EHADRM CC[C@H](CC(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000262580897 600062050 /nfs/dbraw/zinc/06/20/50/600062050.db2.gz QNXAHCHPHFUVKX-CQSZACIVSA-N -1 0 327.380 3.672 20 0 EHADRM CC(C)c1ccc([C@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])c2cccs2)cc1 ZINC000485658283 600062871 /nfs/dbraw/zinc/06/28/71/600062871.db2.gz CCYRQZFWIIBEBY-INMHGKMJSA-N -1 0 343.448 3.798 20 0 EHADRM CCc1nc2cc(NC(=O)CCc3ccc(C(=O)[O-])cc3)ccc2o1 ZINC000237066419 600063358 /nfs/dbraw/zinc/06/33/58/600063358.db2.gz ZHYJVFDSZWVNEZ-UHFFFAOYSA-N -1 0 338.363 3.660 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2cccc(F)c2)C2CCCC2)cn1 ZINC000642072306 600070919 /nfs/dbraw/zinc/07/09/19/600070919.db2.gz ASDURSFBQSRTAG-UHFFFAOYSA-N -1 0 342.370 3.504 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2ccsc2)c2ccccc2)cn1 ZINC000237974962 600071061 /nfs/dbraw/zinc/07/10/61/600071061.db2.gz GNKVDNGQCKMUIL-UHFFFAOYSA-N -1 0 338.388 3.688 20 0 EHADRM C/C(=C/C(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccccc1Cl ZINC000736121486 600072385 /nfs/dbraw/zinc/07/23/85/600072385.db2.gz SGXIFDFSDSLTIV-BENRWUELSA-N -1 0 345.782 3.845 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1c[nH]cc1-c1ccccc1)C2 ZINC000740199385 600074002 /nfs/dbraw/zinc/07/40/02/600074002.db2.gz LKYLAYFUXHUPQD-UHFFFAOYSA-N -1 0 332.359 3.536 20 0 EHADRM Cc1ccccc1-c1nc(C(=O)N2CCCC[C@H]2CC(=O)[O-])cs1 ZINC000679396597 600075167 /nfs/dbraw/zinc/07/51/67/600075167.db2.gz ALJZMCOLVFHHLM-ZDUSSCGKSA-N -1 0 344.436 3.588 20 0 EHADRM CCc1ccc2c(CNc3cccc(F)c3C(=O)[O-])cc(=O)oc2c1 ZINC000737267689 600075998 /nfs/dbraw/zinc/07/59/98/600075998.db2.gz UEPJMSPUUQIHQD-UHFFFAOYSA-N -1 0 341.338 3.805 20 0 EHADRM Cc1cc2oc(=O)cc(CNc3cc(C(=O)[O-])ccc3F)c2cc1C ZINC000738487526 600076103 /nfs/dbraw/zinc/07/61/03/600076103.db2.gz YWVRZXMBAILBOW-UHFFFAOYSA-N -1 0 341.338 3.859 20 0 EHADRM CN(Cc1ccc(F)cc1C(=O)[O-])Cc1c(F)cccc1Cl ZINC000737472105 600082824 /nfs/dbraw/zinc/08/28/24/600082824.db2.gz MTCCMYLLTSPELA-UHFFFAOYSA-N -1 0 325.742 3.948 20 0 EHADRM Cc1cccc(N(C(C)C)S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1 ZINC000738721575 600084198 /nfs/dbraw/zinc/08/41/98/600084198.db2.gz LGQZFMDPIZPHQU-UHFFFAOYSA-N -1 0 347.436 3.605 20 0 EHADRM CSc1ccc(COC(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000738213707 600093565 /nfs/dbraw/zinc/09/35/65/600093565.db2.gz OMMMICWTAVEZCL-UHFFFAOYSA-N -1 0 330.405 3.783 20 0 EHADRM COc1ccc(-c2ccc(C(=O)O[C@H](C(=O)[O-])C(C)C)c(F)c2)cc1 ZINC000737909572 600108873 /nfs/dbraw/zinc/10/88/73/600108873.db2.gz LNZHJZNLYHOHNJ-KRWDZBQOSA-N -1 0 346.354 3.767 20 0 EHADRM O=C([O-])[C@H]1C[C@H]1c1nc(-c2ccc(OCc3ccccc3)cc2)no1 ZINC000739559449 600108938 /nfs/dbraw/zinc/10/89/38/600108938.db2.gz FGABZSOSRSTPAR-CVEARBPZSA-N -1 0 336.347 3.504 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1nc(-c2ccccc2OCc2ccccc2)no1 ZINC000739561327 600109431 /nfs/dbraw/zinc/10/94/31/600109431.db2.gz YUAZFPGQJRJMPD-HUUCEWRRSA-N -1 0 336.347 3.504 20 0 EHADRM Cc1ccc(C)c(OCCc2nc(-c3ccc(C(=O)[O-])cc3)no2)c1 ZINC000738577346 600110456 /nfs/dbraw/zinc/11/04/56/600110456.db2.gz RMHIFORWMYBFMQ-UHFFFAOYSA-N -1 0 338.363 3.673 20 0 EHADRM C[C@@H](Oc1ccc(F)c(F)c1)c1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000736703670 600111245 /nfs/dbraw/zinc/11/12/45/600111245.db2.gz WTXKUJCEFSYMRI-SECBINFHSA-N -1 0 346.289 3.853 20 0 EHADRM O=C([O-])c1ccc(-c2noc(CCCOc3cccc(F)c3)n2)cc1 ZINC000740101389 600111826 /nfs/dbraw/zinc/11/18/26/600111826.db2.gz JEQYXTNHJKMSDL-UHFFFAOYSA-N -1 0 342.326 3.586 20 0 EHADRM O=C([O-])c1ccc(-c2noc([C@@H]3Cc4cc(Cl)ccc4O3)n2)cc1 ZINC000740101309 600111845 /nfs/dbraw/zinc/11/18/45/600111845.db2.gz GRQSHDJCXMWWIC-AWEZNQCLSA-N -1 0 342.738 3.764 20 0 EHADRM C[C@@H](Cc1nc(-c2ccc(C(=O)[O-])cc2)no1)c1ccccc1F ZINC000736628388 600112331 /nfs/dbraw/zinc/11/23/31/600112331.db2.gz CPUVZLPUICXVGC-NSHDSACASA-N -1 0 326.327 3.920 20 0 EHADRM CC(C)[C@H](SCc1ccccc1)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000262465606 600113454 /nfs/dbraw/zinc/11/34/54/600113454.db2.gz RKFPFAIJGNQTNF-SFHVURJKSA-N -1 0 349.496 3.658 20 0 EHADRM O=C([O-])c1ccc(-c2noc(CCOc3cccc(Cl)c3)n2)cc1 ZINC000740101242 600113879 /nfs/dbraw/zinc/11/38/79/600113879.db2.gz BUALBVHYBLORMA-UHFFFAOYSA-N -1 0 344.754 3.710 20 0 EHADRM CC(C)(C)c1ncc(C(=O)OCc2ccc(F)cc2C(=O)[O-])s1 ZINC000736303439 600115292 /nfs/dbraw/zinc/11/52/92/600115292.db2.gz LPZPHVQFEXIPBG-UHFFFAOYSA-N -1 0 337.372 3.635 20 0 EHADRM Cc1ccc(OCCCc2nc(-c3ccc(C(=O)[O-])cc3)no2)cc1 ZINC000738643470 600115703 /nfs/dbraw/zinc/11/57/03/600115703.db2.gz PPMXBGVDHOQVCP-UHFFFAOYSA-N -1 0 338.363 3.755 20 0 EHADRM C[C@H](CC(=O)OCc1ccc(F)cc1C(=O)[O-])c1ccccc1F ZINC000736555145 600116577 /nfs/dbraw/zinc/11/65/77/600116577.db2.gz BOLCJSBBDSPRQE-LLVKDONJSA-N -1 0 334.318 3.900 20 0 EHADRM C[C@H](OC(=O)c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)[O-] ZINC000736699145 600117457 /nfs/dbraw/zinc/11/74/57/600117457.db2.gz RIKUZAKSKHZGAD-NSHDSACASA-N -1 0 334.755 3.549 20 0 EHADRM Cc1cc(NC(=O)CCc2ccc(Cl)cc2Cl)c(C(=O)[O-])[nH]1 ZINC000317268229 600121702 /nfs/dbraw/zinc/12/17/02/600121702.db2.gz BKADAQOXVGEXSG-UHFFFAOYSA-N -1 0 341.194 3.899 20 0 EHADRM CCCOc1cccc(C(=O)Oc2ccc(C(=O)[O-])cc2C(C)=O)c1 ZINC000737034401 600125583 /nfs/dbraw/zinc/12/55/83/600125583.db2.gz JJAWVVGFIROZMA-UHFFFAOYSA-N -1 0 342.347 3.595 20 0 EHADRM CCN(C(=O)CNc1ccc(F)c(NC(=O)[O-])c1)C1CCCCC1 ZINC000737060801 600127192 /nfs/dbraw/zinc/12/71/92/600127192.db2.gz UTMYOYDHQWUFQN-UHFFFAOYSA-N -1 0 337.395 3.509 20 0 EHADRM Cc1ccc(OC(=O)c2cnc3onc(C(C)C)c3c2)c(C(=O)[O-])c1 ZINC000738640614 600133983 /nfs/dbraw/zinc/13/39/83/600133983.db2.gz ZKNNKTHAQZUEEY-UHFFFAOYSA-N -1 0 340.335 3.572 20 0 EHADRM Cc1ccc(Cl)c(OCC(=O)Oc2ccc(C)cc2C(=O)[O-])c1 ZINC000738605641 600134315 /nfs/dbraw/zinc/13/43/15/600134315.db2.gz ZEFNBGHWBUOKHW-UHFFFAOYSA-N -1 0 334.755 3.639 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000736871069 600140202 /nfs/dbraw/zinc/14/02/02/600140202.db2.gz OOKUDFAPAJKCPQ-PKFCDNJMSA-N -1 0 346.254 3.788 20 0 EHADRM CCC[C@](C)(NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000236826669 600143609 /nfs/dbraw/zinc/14/36/09/600143609.db2.gz MOZLSFUNVOSSIX-WQGACYEGSA-N -1 0 344.238 3.857 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(N(C)C)cc2)c(C(=O)[O-])c1 ZINC000738617624 600145265 /nfs/dbraw/zinc/14/52/65/600145265.db2.gz YMPYNPNLPNFNIT-CVEARBPZSA-N -1 0 338.407 3.501 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000237252236 600147574 /nfs/dbraw/zinc/14/75/74/600147574.db2.gz ZIRXYJUTTODDOG-ZDUSSCGKSA-N -1 0 341.407 3.909 20 0 EHADRM CC(C)c1ccc(-c2noc(CNC3(C(=O)[O-])CCCCC3)n2)cc1 ZINC000736516217 600148987 /nfs/dbraw/zinc/14/89/87/600148987.db2.gz ZUFYUMQKYJOCHK-UHFFFAOYSA-N -1 0 343.427 3.737 20 0 EHADRM CCCCN(C)c1ccc(NC(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000736993452 600149644 /nfs/dbraw/zinc/14/96/44/600149644.db2.gz ZXVPLOJEUGPVGT-UHFFFAOYSA-N -1 0 326.396 3.873 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)CCc1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000237001927 600150290 /nfs/dbraw/zinc/15/02/90/600150290.db2.gz VDTJLSFJTIAJSK-KUHUBIRLSA-N -1 0 347.455 3.556 20 0 EHADRM Cc1ccc([C@H](CNC(=O)CCc2ccccc2Cl)C(=O)[O-])cc1 ZINC000486397245 600157595 /nfs/dbraw/zinc/15/75/95/600157595.db2.gz RFMJLHZZPCMIRP-INIZCTEOSA-N -1 0 345.826 3.566 20 0 EHADRM C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)C(C)(C)NC(=O)[O-])c2)C1 ZINC000736783779 600159020 /nfs/dbraw/zinc/15/90/20/600159020.db2.gz ZBZNLFOCTKQDJJ-XJKSGUPXSA-N -1 0 348.443 3.767 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cc2ccc(C(F)(F)F)cc2)c(F)c1 ZINC000325050468 600167508 /nfs/dbraw/zinc/16/75/08/600167508.db2.gz SUSRAPSHSFLQSW-UHFFFAOYSA-N -1 0 341.260 3.724 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1sccc1C1CC1 ZINC000737876492 600169261 /nfs/dbraw/zinc/16/92/61/600169261.db2.gz ARNLNRDEMDSMDA-XVNBXDOJSA-N -1 0 344.388 3.951 20 0 EHADRM CSc1ccccc1NC(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC000738214607 600176432 /nfs/dbraw/zinc/17/64/32/600176432.db2.gz OHYRJUXVFWJMCU-AWEZNQCLSA-N -1 0 344.436 3.707 20 0 EHADRM CC(C)c1cc(Oc2ccc(C(=O)[O-])cc2Br)ncn1 ZINC000736515944 600180252 /nfs/dbraw/zinc/18/02/52/600180252.db2.gz UQQMRSHUNJKQAF-UHFFFAOYSA-N -1 0 337.173 3.853 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)C(C)(C)C ZINC000736598545 600184615 /nfs/dbraw/zinc/18/46/15/600184615.db2.gz LUPDTNGXSUGDRZ-VIFPVBQESA-N -1 0 344.358 3.790 20 0 EHADRM Cc1c2ccccc2oc1CNC(=O)NCCCCCCC(=O)[O-] ZINC000738288826 600186050 /nfs/dbraw/zinc/18/60/50/600186050.db2.gz IHUMXGYWTQZMMU-UHFFFAOYSA-N -1 0 332.400 3.576 20 0 EHADRM O=C([O-])c1ccc(NC(=O)/C=C/c2nc3ccccc3s2)c(F)c1 ZINC000492907910 600199276 /nfs/dbraw/zinc/19/92/76/600199276.db2.gz FJRUDYXHGCIKGV-BQYQJAHWSA-N -1 0 342.351 3.786 20 0 EHADRM COc1cc2ccccc2cc1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000677848164 600200293 /nfs/dbraw/zinc/20/02/93/600200293.db2.gz RBHBADMIJOISHW-UHFFFAOYSA-N -1 0 339.322 3.938 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000392441581 600202149 /nfs/dbraw/zinc/20/21/49/600202149.db2.gz AUMYUYJVWHFCDY-UHFFFAOYSA-N -1 0 348.742 3.518 20 0 EHADRM CC[C@H](CC(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1)C(C)C ZINC000236921713 600204760 /nfs/dbraw/zinc/20/47/60/600204760.db2.gz CJTVQMVETJLUAR-CQSZACIVSA-N -1 0 341.398 3.840 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000237582005 600206745 /nfs/dbraw/zinc/20/67/45/600206745.db2.gz VVGZCYNWNFAEOR-BEFAXECRSA-N -1 0 337.419 3.527 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@H](c1ccccc1)c1cccc2ccccc21 ZINC000485747397 600207339 /nfs/dbraw/zinc/20/73/39/600207339.db2.gz GHMJQUXMXIWBDY-XUVXKRRUSA-N -1 0 345.398 3.766 20 0 EHADRM Cc1ccc(NC(=O)CNc2cc(Cl)cc(C(=O)[O-])c2)cc1C ZINC000738621777 600207980 /nfs/dbraw/zinc/20/79/80/600207980.db2.gz LUAOGAHSAMQYJN-UHFFFAOYSA-N -1 0 332.787 3.706 20 0 EHADRM CN(Cc1ncc(-c2cccs2)o1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737495047 600214042 /nfs/dbraw/zinc/21/40/42/600214042.db2.gz FQZTZJQWENQMGR-INIZCTEOSA-N -1 0 328.393 3.661 20 0 EHADRM C[C@@H]1CCc2c(C(=O)N3C[C@H](C(=O)[O-])c4ccccc43)csc2C1 ZINC000177468783 600215184 /nfs/dbraw/zinc/21/51/84/600215184.db2.gz BJBHFYUIYMQNGQ-RISCZKNCSA-N -1 0 341.432 3.702 20 0 EHADRM Cc1ccc(C(C)C)cc1OS(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000738550018 600220197 /nfs/dbraw/zinc/22/01/97/600220197.db2.gz AYBIXLNOXBTHJG-UHFFFAOYSA-N -1 0 348.420 3.725 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)C[C@H]2CCCc3ccccc32)c2ccccc21 ZINC000192929938 600220510 /nfs/dbraw/zinc/22/05/10/600220510.db2.gz MGXONKXQWMTGFE-QAPCUYQASA-N -1 0 335.403 3.712 20 0 EHADRM C[C@@H](CC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21)c1ccc(F)cc1 ZINC000262694102 600223096 /nfs/dbraw/zinc/22/30/96/600223096.db2.gz DBFPEYNLKGOEAN-BLLLJJGKSA-N -1 0 327.355 3.534 20 0 EHADRM COc1cc(C)c(NC(=O)Nc2cccc(NC(=O)[O-])c2)cc1OC ZINC000737866422 600225476 /nfs/dbraw/zinc/22/54/76/600225476.db2.gz BLEGLWJIATUPAK-UHFFFAOYSA-N -1 0 345.355 3.746 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2cccc(Cl)c2Cl)c2ccccc21 ZINC000177474048 600226891 /nfs/dbraw/zinc/22/68/91/600226891.db2.gz OXBYGRZHNWFLEB-LLVKDONJSA-N -1 0 336.174 3.822 20 0 EHADRM Cc1ccc(C(=O)CCc2nc(-c3ccc(C(=O)[O-])cc3)no2)s1 ZINC000738503525 600246163 /nfs/dbraw/zinc/24/61/63/600246163.db2.gz QQVHBJWKARELDV-UHFFFAOYSA-N -1 0 342.376 3.620 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCc1cc(Cl)cs1)c1cccs1 ZINC000238209741 600246250 /nfs/dbraw/zinc/24/62/50/600246250.db2.gz SOADDLQFLVCHJS-NSHDSACASA-N -1 0 343.857 3.728 20 0 EHADRM COc1ccc(SCc2nc(-c3ccc(C(=O)[O-])cc3)no2)cc1 ZINC000738068964 600246323 /nfs/dbraw/zinc/24/63/23/600246323.db2.gz SJZBRKWPLIURNK-UHFFFAOYSA-N -1 0 342.376 3.736 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)[C@@H](C)SCc1ccccc1 ZINC000738084255 600247698 /nfs/dbraw/zinc/24/76/98/600247698.db2.gz FXGGGHHQAGVYSD-GFCCVEGCSA-N -1 0 346.404 3.621 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1sc(C(C)(C)C)nc1C ZINC000738088448 600248799 /nfs/dbraw/zinc/24/87/99/600248799.db2.gz JBRVOPZIWOEKQR-UHFFFAOYSA-N -1 0 349.408 3.675 20 0 EHADRM Cc1cc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c(C(=O)[O-])[nH]1 ZINC000317705389 600253442 /nfs/dbraw/zinc/25/34/42/600253442.db2.gz HSJBVRZVIWZDGN-VIFPVBQESA-N -1 0 338.816 3.794 20 0 EHADRM CC(C)(CCCc1ccccc1)CNC(=O)c1cccc(C(=O)[O-])n1 ZINC000736320345 600262361 /nfs/dbraw/zinc/26/23/61/600262361.db2.gz NIELIFXLXLWACA-UHFFFAOYSA-N -1 0 340.423 3.559 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(C(=O)[C@@H]1C[C@H]1c1ccc3ccccc3c1)CC2 ZINC000262040215 600264885 /nfs/dbraw/zinc/26/48/85/600264885.db2.gz AGFUJRFCEZDOOU-OTWHNJEPSA-N -1 0 349.430 3.657 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)c1cc2c(ccc(C)c2C)[nH]1 ZINC000738668138 600268418 /nfs/dbraw/zinc/26/84/18/600268418.db2.gz ZOBXIQMMFOBOPN-UHFFFAOYSA-N -1 0 327.336 3.741 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N(CCc2ccc(F)cc2)C2CC2)cc1 ZINC000738684117 600269388 /nfs/dbraw/zinc/26/93/88/600269388.db2.gz SNAICGGEHXUSEB-UHFFFAOYSA-N -1 0 342.370 3.763 20 0 EHADRM Cc1cccc(C(C)(C)NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC000738691612 600276537 /nfs/dbraw/zinc/27/65/37/600276537.db2.gz GXDRYRBWMMUFIJ-UHFFFAOYSA-N -1 0 330.359 3.889 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2cc3cc(Cl)ccc3[nH]2)c2ccccc21 ZINC000685021286 600278671 /nfs/dbraw/zinc/27/86/71/600278671.db2.gz UGZFAUICOKWWNL-ZDUSSCGKSA-N -1 0 340.766 3.650 20 0 EHADRM CC[C@@](C)(NC(=O)c1ccc(-c2ccc(F)cc2C)c(F)c1)C(=O)[O-] ZINC000362346924 600280919 /nfs/dbraw/zinc/28/09/19/600280919.db2.gz PQKJEIQUVFDQFW-LJQANCHMSA-N -1 0 347.361 3.923 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)NCC2(c3ccccc3)CC2)c1 ZINC000739407691 600282966 /nfs/dbraw/zinc/28/29/66/600282966.db2.gz ROTDSGMCBYJANY-UHFFFAOYSA-N -1 0 344.798 3.892 20 0 EHADRM CCCc1nc(C)c(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)s1 ZINC000737051702 600284245 /nfs/dbraw/zinc/28/42/45/600284245.db2.gz YWFRXYUUMWVKAM-UHFFFAOYSA-N -1 0 347.440 3.766 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)c1ccccc1F ZINC000736213837 600286390 /nfs/dbraw/zinc/28/63/90/600286390.db2.gz COBORWBIAXJVIY-GFCCVEGCSA-N -1 0 330.359 3.678 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc(CNC(=O)[O-])cc2)o1 ZINC000736762470 600290698 /nfs/dbraw/zinc/29/06/98/600290698.db2.gz BCOVTOJFRKIXQU-MLGOLLRUSA-N -1 0 342.395 3.742 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736709323 600297096 /nfs/dbraw/zinc/29/70/96/600297096.db2.gz OXPIAVNSRKCBEW-ZDUSSCGKSA-N -1 0 344.436 3.715 20 0 EHADRM CC[C@@H](Nc1ccccc1)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736923843 600305317 /nfs/dbraw/zinc/30/53/17/600305317.db2.gz KGMJNVSKUMBHDB-QGZVFWFLSA-N -1 0 341.411 3.626 20 0 EHADRM Cc1cc(C)cc(OCC(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000738365133 600320681 /nfs/dbraw/zinc/32/06/81/600320681.db2.gz WLSBCPYXAWOLOD-KRWDZBQOSA-N -1 0 348.782 3.705 20 0 EHADRM Nc1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)ccc1Cl ZINC000739202966 600321353 /nfs/dbraw/zinc/32/13/53/600321353.db2.gz DVZDBOAFRSAHQB-ZDUSSCGKSA-N -1 0 340.162 3.558 20 0 EHADRM Nc1cc(Cl)ccc1C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000739204883 600321521 /nfs/dbraw/zinc/32/15/21/600321521.db2.gz OYOSNNKXSSEUBX-ZDUSSCGKSA-N -1 0 340.162 3.558 20 0 EHADRM Cc1cccc(O[C@H](C)C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000738735218 600323552 /nfs/dbraw/zinc/32/35/52/600323552.db2.gz SAPZCYVVSAPHNF-WBMJQRKESA-N -1 0 348.782 3.785 20 0 EHADRM Cc1cccc(NC(=O)[C@@H](C)Nc2ccc(CN(C)C(=O)[O-])cc2)c1 ZINC000738733399 600326470 /nfs/dbraw/zinc/32/64/70/600326470.db2.gz VWPMHAWMLGTPOO-CQSZACIVSA-N -1 0 341.411 3.544 20 0 EHADRM Cc1cccc(C)c1NC(=O)[C@@H](C)Nc1ccc(CNC(=O)[O-])cc1 ZINC000738695191 600327234 /nfs/dbraw/zinc/32/72/34/600327234.db2.gz KITUSAVZYDBLPV-CQSZACIVSA-N -1 0 341.411 3.510 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1csc(C2CC2)n1)c1cccc(Cl)c1 ZINC000740300853 600329141 /nfs/dbraw/zinc/32/91/41/600329141.db2.gz WYNXHPCQQUMCJX-LBPRGKRZSA-N -1 0 337.784 3.657 20 0 EHADRM O=C([O-])[C@H](OC(=O)Cc1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000739346544 600329880 /nfs/dbraw/zinc/32/98/80/600329880.db2.gz QGPSVMBVOSORBY-OAHLLOKOSA-N -1 0 339.174 3.905 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC000739992860 600334850 /nfs/dbraw/zinc/33/48/50/600334850.db2.gz XCTSFAVYHOUIIA-UHFFFAOYSA-N -1 0 325.368 3.587 20 0 EHADRM CC[C@@H]1CCCN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)CC1 ZINC000736940010 600337588 /nfs/dbraw/zinc/33/75/88/600337588.db2.gz PVSPPSJAAVTAGR-CQSZACIVSA-N -1 0 334.416 3.584 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N[C@@H](C)C1CCCC1 ZINC000736487688 600337658 /nfs/dbraw/zinc/33/76/58/600337658.db2.gz OPLNNOUIQMJSRU-LBPRGKRZSA-N -1 0 334.416 3.872 20 0 EHADRM CC(C)C[C@@H](NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccccc1 ZINC000736414007 600341000 /nfs/dbraw/zinc/34/10/00/600341000.db2.gz FSWIAJXPPBVHKB-IAGOWNOFSA-N -1 0 344.455 3.670 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccccc1Cl ZINC000736650076 600353287 /nfs/dbraw/zinc/35/32/87/600353287.db2.gz YXKXWZGNTDIFNR-LLVKDONJSA-N -1 0 347.802 3.990 20 0 EHADRM Cc1ccn(-c2ccc(C(=O)Nc3cc(C)c(C(=O)[O-])s3)cc2)n1 ZINC000738790014 600371364 /nfs/dbraw/zinc/37/13/64/600371364.db2.gz SBHYRTROEAZANM-UHFFFAOYSA-N -1 0 341.392 3.501 20 0 EHADRM Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)sc1C(=O)[O-] ZINC000738234110 600371677 /nfs/dbraw/zinc/37/16/77/600371677.db2.gz HAWRKSOYWSWCEW-ZJUUUORDSA-N -1 0 337.347 3.775 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1 ZINC000737258155 600375111 /nfs/dbraw/zinc/37/51/11/600375111.db2.gz YKPNGCAQMLYLRJ-OAOYMFHYSA-N -1 0 343.467 3.987 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CC/C=C/c1ccccc1)c1ccc(F)cc1 ZINC000362442987 600376716 /nfs/dbraw/zinc/37/67/16/600376716.db2.gz XBMPDDHPQOWPCG-PYJQOMOHSA-N -1 0 341.382 3.951 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H](C)c2cccs2)cc1 ZINC000237349551 600377644 /nfs/dbraw/zinc/37/76/44/600377644.db2.gz WGGBYYHZOARMGZ-BXUZGUMPSA-N -1 0 349.477 3.906 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736628541 600378136 /nfs/dbraw/zinc/37/81/36/600378136.db2.gz ZQSDPUAKCDHUSX-JTQLQIEISA-N -1 0 334.322 3.872 20 0 EHADRM CC(C)(C)n1cnnc1S[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000736305710 600378883 /nfs/dbraw/zinc/37/88/83/600378883.db2.gz MHJCLOXKOJJBNZ-NSHDSACASA-N -1 0 325.821 3.605 20 0 EHADRM O=C([O-])[C@@H](Sc1n[nH]c(C=Cc2ccccc2)n1)c1ccccc1 ZINC000739511248 600379310 /nfs/dbraw/zinc/37/93/10/600379310.db2.gz FYJURBUKMUQXFJ-JNSOCZORSA-N -1 0 337.404 3.893 20 0 EHADRM CCc1nc([C@H](C)NC(=O)Nc2cccc(NC(=O)[O-])c2)cs1 ZINC000737277372 600380964 /nfs/dbraw/zinc/38/09/64/600380964.db2.gz UETHWWXOJGVSHF-VIFPVBQESA-N -1 0 334.401 3.678 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cc2cc(F)ccc2o1)c1cccs1 ZINC000238174205 600381037 /nfs/dbraw/zinc/38/10/37/600381037.db2.gz RXNDUMMUAOLXDS-LLVKDONJSA-N -1 0 333.340 3.579 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)C[C@@H]2CCOc3ccccc32)c1 ZINC000740043770 600382893 /nfs/dbraw/zinc/38/28/93/600382893.db2.gz WYQNQOXUMHXJAP-LBPRGKRZSA-N -1 0 326.352 3.671 20 0 EHADRM O=C([O-])c1ccc(NC(=O)/C=C/c2ccnc3ccccc23)c(F)c1 ZINC000739216109 600383218 /nfs/dbraw/zinc/38/32/18/600383218.db2.gz OFQZKJOPPQKJOQ-SOFGYWHQSA-N -1 0 336.322 3.724 20 0 EHADRM CC(C)(C)c1ncc(C(=O)NCCc2ccc(NC(=O)[O-])cc2)s1 ZINC000736303357 600385000 /nfs/dbraw/zinc/38/50/00/600385000.db2.gz GWQBFYLVQQKCRH-UHFFFAOYSA-N -1 0 347.440 3.503 20 0 EHADRM O=C([O-])c1cc(NC(=O)NCC2(c3ccccc3)CCC2)ccc1F ZINC000739406964 600385743 /nfs/dbraw/zinc/38/57/43/600385743.db2.gz MDWISAQEKWMIQA-UHFFFAOYSA-N -1 0 342.370 3.767 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)CCc1ccccc1OC)c1ccccc1 ZINC000736853551 600387781 /nfs/dbraw/zinc/38/77/81/600387781.db2.gz UUYKZTSWVMBSMT-KRWDZBQOSA-N -1 0 341.407 3.524 20 0 EHADRM C[C@H]1c2ccccc2CCN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000736839563 600388876 /nfs/dbraw/zinc/38/88/76/600388876.db2.gz CEBFKQVPZMRURK-NSHDSACASA-N -1 0 328.343 3.675 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1ccc(OC2CCCCC2)cc1 ZINC000236765760 600388978 /nfs/dbraw/zinc/38/89/78/600388978.db2.gz LLVDBYPSCVCORO-UHFFFAOYSA-N -1 0 333.428 3.723 20 0 EHADRM C[C@@H](CCc1ccccc1)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000324688143 600389271 /nfs/dbraw/zinc/38/92/71/600389271.db2.gz LPKRBUGUEDMCHK-LBPRGKRZSA-N -1 0 330.359 3.667 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1ccc(OC(C)C)cc1)c1ccccc1 ZINC000736851270 600389317 /nfs/dbraw/zinc/38/93/17/600389317.db2.gz NYAYPLGRBOUCRL-SFHVURJKSA-N -1 0 341.407 3.984 20 0 EHADRM Cc1cc(Cl)cc2c1N(C(=O)c1ccc(C(=O)[O-])cc1)CCC2 ZINC000738399297 600390258 /nfs/dbraw/zinc/39/02/58/600390258.db2.gz JYRSKXYPODHYGD-UHFFFAOYSA-N -1 0 329.783 3.940 20 0 EHADRM CC[C@](C)(NC(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000736860951 600396147 /nfs/dbraw/zinc/39/61/47/600396147.db2.gz FEAIMPOXQDJUHF-SFHVURJKSA-N -1 0 330.359 3.971 20 0 EHADRM CC[C@H](CC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccc(C)cc1 ZINC000262505168 600400162 /nfs/dbraw/zinc/40/01/62/600400162.db2.gz ZGUMKNWWEHRHLN-NVXWUHKLSA-N -1 0 329.440 3.592 20 0 EHADRM CCN(C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)[C@H](C)C(C)C ZINC000737060175 600408261 /nfs/dbraw/zinc/40/82/61/600408261.db2.gz NLHAZOOTFRQLJK-SNVBAGLBSA-N -1 0 344.358 3.885 20 0 EHADRM O=C([O-])[C@@H](Nc1cccc(NC(=O)C2CC2)c1)c1cccc(Cl)c1 ZINC000739484739 600421063 /nfs/dbraw/zinc/42/10/63/600421063.db2.gz BEZLHAADRVEAGS-INIZCTEOSA-N -1 0 344.798 3.926 20 0 EHADRM C[C@H](OC(=O)c1cccc(C(=O)[O-])c1)c1nc2cc(Cl)ccc2[nH]1 ZINC000736696468 600422553 /nfs/dbraw/zinc/42/25/53/600422553.db2.gz IXUKBWAZCHZKSA-VIFPVBQESA-N -1 0 344.754 3.833 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N2CCC[C@]3(CC=CCC3)C2)cc1 ZINC000238060769 600423826 /nfs/dbraw/zinc/42/38/26/600423826.db2.gz IKUFZGRSXHZYFD-HXUWFJFHSA-N -1 0 327.424 3.666 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C[C@@H]1CCc2ccccc2C1)c1cccs1 ZINC000675950824 600425334 /nfs/dbraw/zinc/42/53/34/600425334.db2.gz ZGWKXMFNKVXJNI-CZUORRHYSA-N -1 0 343.448 3.575 20 0 EHADRM CCOc1cc(N[C@H](C(=O)[O-])c2cccc(Cl)c2)ccc1OC ZINC000737191395 600425468 /nfs/dbraw/zinc/42/54/68/600425468.db2.gz KTLOTNXMRYFGRX-INIZCTEOSA-N -1 0 335.787 3.985 20 0 EHADRM COc1ccc(NC(=O)C[C@H]2CCc3ccccc3C2)c(C(=O)[O-])c1 ZINC000738027996 600426727 /nfs/dbraw/zinc/42/67/27/600426727.db2.gz KZEUMQIMFWPZHQ-ZDUSSCGKSA-N -1 0 339.391 3.527 20 0 EHADRM CC(C)c1ccccc1OCC(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736523450 600444965 /nfs/dbraw/zinc/44/49/65/600444965.db2.gz QHAXYHCCKWTGEW-SFHVURJKSA-N -1 0 346.354 3.697 20 0 EHADRM O=C([O-])[C@@H](OC(=O)/C=C\c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000739217282 600445536 /nfs/dbraw/zinc/44/55/36/600445536.db2.gz YJXWTKFQNUTPSD-FWRXFDSUSA-N -1 0 334.730 3.861 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cc2ccccc2cc1O)c1ccc(F)cc1 ZINC000740294397 600449605 /nfs/dbraw/zinc/44/96/05/600449605.db2.gz YLPPNNLUXBRMIL-QGZVFWFLSA-N -1 0 340.306 3.667 20 0 EHADRM Cc1nc(CC(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])cs1 ZINC000738352908 600450962 /nfs/dbraw/zinc/45/09/62/600450962.db2.gz ZOXYYPSOVLLTFR-UHFFFAOYSA-N -1 0 338.454 3.690 20 0 EHADRM CCn1nc(C)cc1C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000737311618 600451716 /nfs/dbraw/zinc/45/17/16/600451716.db2.gz BPGXHTPQWUZTIB-UHFFFAOYSA-N -1 0 335.429 3.521 20 0 EHADRM CC[C@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1F ZINC000736914091 600454053 /nfs/dbraw/zinc/45/40/53/600454053.db2.gz LFSWHFHFSYPEHX-INIZCTEOSA-N -1 0 348.349 3.614 20 0 EHADRM C[C@H]1CCCCCN1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000736784648 600454471 /nfs/dbraw/zinc/45/44/71/600454471.db2.gz LZPHYQAEEQQQKQ-AWEZNQCLSA-N -1 0 345.443 3.781 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)N2CCC[C@]3(CC=CCC3)C2)cc1 ZINC000739879107 600456111 /nfs/dbraw/zinc/45/61/11/600456111.db2.gz MPZNHWKDGSVLLA-LJQANCHMSA-N -1 0 328.412 3.668 20 0 EHADRM C[C@H](CC(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(F)cc1 ZINC000736556967 600456298 /nfs/dbraw/zinc/45/62/98/600456298.db2.gz OWTZUIDMAOWDRI-DIFFPNOSSA-N -1 0 334.318 3.828 20 0 EHADRM O=C([O-])c1cccc(COC(=O)/C=C\c2ccnc3ccccc23)c1 ZINC000739215307 600458901 /nfs/dbraw/zinc/45/89/01/600458901.db2.gz IKZNROMUOQUNPK-HJWRWDBZSA-N -1 0 333.343 3.690 20 0 EHADRM CCc1sc(-c2nnc(CNC3(C(=O)[O-])CCCCC3)o2)cc1C ZINC000737292263 600459772 /nfs/dbraw/zinc/45/97/72/600459772.db2.gz NREQLNONKSVDES-UHFFFAOYSA-N -1 0 349.456 3.546 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NCc2cccs2)cc1Cl ZINC000740162039 600474262 /nfs/dbraw/zinc/47/42/62/600474262.db2.gz YIUONJAAMDSOGT-UHFFFAOYSA-N -1 0 326.830 3.586 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000136717165 600477529 /nfs/dbraw/zinc/47/75/29/600477529.db2.gz XIUDSVMXCKMCIP-JTQLQIEISA-N -1 0 335.762 3.995 20 0 EHADRM CCCCOc1ccc(NC(=O)N2CCC[C@H](C(=O)[O-])C2)c(C)c1 ZINC000263505149 600477720 /nfs/dbraw/zinc/47/77/20/600477720.db2.gz VISCCYFPPKSFKF-AWEZNQCLSA-N -1 0 334.416 3.502 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)Nc2ccccc2SC(F)(F)F)C1 ZINC000263456898 600477785 /nfs/dbraw/zinc/47/77/85/600477785.db2.gz CINKYKIMVLBJBO-SECBINFHSA-N -1 0 348.346 3.627 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000736902692 600478073 /nfs/dbraw/zinc/47/80/73/600478073.db2.gz BWSDCXNCSWJJPS-GFCCVEGCSA-N -1 0 333.334 3.870 20 0 EHADRM Cc1ccc(C[C@H](C)N(C)C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000738585345 600479024 /nfs/dbraw/zinc/47/90/24/600479024.db2.gz WZCIZLBBFWFJPA-HNNXBMFYSA-N -1 0 340.423 3.717 20 0 EHADRM Cc1c(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cnn1C(C)(C)C ZINC000181502746 600479092 /nfs/dbraw/zinc/47/90/92/600479092.db2.gz YGVMKXTXBNRIBX-UHFFFAOYSA-N -1 0 335.791 3.550 20 0 EHADRM COc1cc(C)sc1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000237120272 600481057 /nfs/dbraw/zinc/48/10/57/600481057.db2.gz AEZBGJJHNQIUJV-UHFFFAOYSA-N -1 0 325.773 3.669 20 0 EHADRM Cn1c(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc2ccccc21 ZINC000237724973 600481074 /nfs/dbraw/zinc/48/10/74/600481074.db2.gz YUQUHEFZCBNXMK-UHFFFAOYSA-N -1 0 328.755 3.782 20 0 EHADRM Cc1cc(NC(=O)N2CCc3cc(F)ccc3[C@@H]2C)ccc1C(=O)[O-] ZINC000738437523 600481540 /nfs/dbraw/zinc/48/15/40/600481540.db2.gz NJRUJEKZMUBAMW-LBPRGKRZSA-N -1 0 342.370 3.984 20 0 EHADRM Cc1cc(C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)c(C)s1 ZINC000237744984 600482139 /nfs/dbraw/zinc/48/21/39/600482139.db2.gz BFNPFEKLDIYHNR-UHFFFAOYSA-N -1 0 347.436 3.539 20 0 EHADRM Cc1ccc(C[C@H](C)N(C)C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000738584538 600482147 /nfs/dbraw/zinc/48/21/47/600482147.db2.gz KCVLJNOAIRJEMV-ZDUSSCGKSA-N -1 0 344.386 3.927 20 0 EHADRM Cc1ccccc1[C@H](CC(C)C)NC(=O)c1ccc(C(=O)[O-])nc1 ZINC000602025380 600484012 /nfs/dbraw/zinc/48/40/12/600484012.db2.gz ZKDLGNHCHBIHSL-KRWDZBQOSA-N -1 0 326.396 3.605 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCC(=O)c2ccccc2)cc1Cl ZINC000238108165 600487116 /nfs/dbraw/zinc/48/71/16/600487116.db2.gz IEVHITGMJVRBBY-UHFFFAOYSA-N -1 0 331.755 3.640 20 0 EHADRM CC[C@@H](C)[C@@H]1CCCCN1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000736880324 600487454 /nfs/dbraw/zinc/48/74/54/600487454.db2.gz NXCGHZIYJYYGPU-PBHICJAKSA-N -1 0 332.444 3.538 20 0 EHADRM CC(C)[C@@H](NC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)C(=O)[O-] ZINC000236712707 600489693 /nfs/dbraw/zinc/48/96/93/600489693.db2.gz GCDHHHDVXFWALA-MRXNPFEDSA-N -1 0 349.333 3.596 20 0 EHADRM Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[O-] ZINC000738757796 600496968 /nfs/dbraw/zinc/49/69/68/600496968.db2.gz DZDTYXFBYUOZIN-SJORKVTESA-N -1 0 334.460 3.881 20 0 EHADRM C[C@@H]1CCc2c(sc3ncnc(NCc4ccc(C(=O)[O-])o4)c32)C1 ZINC000736800180 600503066 /nfs/dbraw/zinc/50/30/66/600503066.db2.gz CEACNRMHOKFLTN-SECBINFHSA-N -1 0 343.408 3.719 20 0 EHADRM CN(Cc1csc(-c2ccco2)n1)Cc1ccc(C(=O)[O-])cc1 ZINC000390941310 600504787 /nfs/dbraw/zinc/50/47/87/600504787.db2.gz MPTXTORDGGEJHS-UHFFFAOYSA-N -1 0 328.393 3.733 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCc2ccc(F)cc2F)cc1Cl ZINC000320708224 600510071 /nfs/dbraw/zinc/51/00/71/600510071.db2.gz ZLWWOAFWCRYJLF-UHFFFAOYSA-N -1 0 340.713 3.638 20 0 EHADRM O=C([O-])c1ccc(OC(=O)Cc2c[nH]c3ccc(Cl)cc23)cc1 ZINC000738480571 600520789 /nfs/dbraw/zinc/52/07/89/600520789.db2.gz DGQSUAATLOIAAK-UHFFFAOYSA-N -1 0 329.739 3.668 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000236706371 600522519 /nfs/dbraw/zinc/52/25/19/600522519.db2.gz QNDRZGGHKSVNND-HNNXBMFYSA-N -1 0 329.371 3.977 20 0 EHADRM CCN(C(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccccc1C(=O)[O-] ZINC000737049891 600523143 /nfs/dbraw/zinc/52/31/43/600523143.db2.gz JMUYMKBAHVLDDZ-GFCCVEGCSA-N -1 0 347.798 3.859 20 0 EHADRM CCN(C(=O)COc1ccc2ccccc2c1)c1ccccc1C(=O)[O-] ZINC000737059722 600523525 /nfs/dbraw/zinc/52/35/25/600523525.db2.gz BFFFMDOOTFZSHL-UHFFFAOYSA-N -1 0 349.386 3.970 20 0 EHADRM C[C@H](NC(=O)Nc1cccc(C(=O)[O-])c1)c1nc2ccccc2s1 ZINC000736649130 600525656 /nfs/dbraw/zinc/52/56/56/600525656.db2.gz PNRSMKAXYISCPY-JTQLQIEISA-N -1 0 341.392 3.877 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)NCC2(c3cccc(Cl)c3)CC2)c1 ZINC000740028904 600529712 /nfs/dbraw/zinc/52/97/12/600529712.db2.gz KKWKDOFRSISYMU-UHFFFAOYSA-N -1 0 344.798 3.892 20 0 EHADRM CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)c1ccccc1C(=O)[O-] ZINC000737052547 600532094 /nfs/dbraw/zinc/53/20/94/600532094.db2.gz KTFMRKFLADUSKT-HZPDHXFCSA-N -1 0 327.355 3.681 20 0 EHADRM CCN(C(=O)Cc1c(F)cccc1Cl)c1ccccc1C(=O)[O-] ZINC000737059441 600532519 /nfs/dbraw/zinc/53/25/19/600532519.db2.gz DLPYDPFPVXDEFW-UHFFFAOYSA-N -1 0 335.762 3.773 20 0 EHADRM C[C@H]1CCC[C@@H](OCC(=O)Oc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000736777929 600533043 /nfs/dbraw/zinc/53/30/43/600533043.db2.gz DXRVKAJBLHBEIF-CMPLNLGQSA-N -1 0 326.776 3.539 20 0 EHADRM C[C@@]1(NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)CCCc2ccccc21 ZINC000736738248 600541716 /nfs/dbraw/zinc/54/17/16/600541716.db2.gz IUKDSPCQRUOGAY-LJQANCHMSA-N -1 0 342.370 3.897 20 0 EHADRM Cc1nc(CCC(=O)Nc2cc3ccccc3cc2C(=O)[O-])cs1 ZINC000738850933 600553443 /nfs/dbraw/zinc/55/34/43/600553443.db2.gz FZKDALRXGNGQRD-UHFFFAOYSA-N -1 0 340.404 3.874 20 0 EHADRM C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1sccc1C(=O)[O-] ZINC000736702777 600553897 /nfs/dbraw/zinc/55/38/97/600553897.db2.gz FWRXPPIMNUTTDE-ZETCQYMHSA-N -1 0 343.763 3.645 20 0 EHADRM C[C@H]1CCCC[C@H]1OCC(=O)Oc1ccc(Cl)cc1C(=O)[O-] ZINC000736785803 600554112 /nfs/dbraw/zinc/55/41/12/600554112.db2.gz RSDIDTDZAXDSMY-GXFFZTMASA-N -1 0 326.776 3.539 20 0 EHADRM O=C([O-])c1sc(NCC2(c3cccc(F)c3)CC2)nc1Cl ZINC000740279961 600560739 /nfs/dbraw/zinc/56/07/39/600560739.db2.gz TYCDDCBMODIXNM-UHFFFAOYSA-N -1 0 326.780 3.778 20 0 EHADRM CCC(CC)[C@H](NC(=O)N1CCC(C(=O)[O-])CC1)c1cccs1 ZINC000262878046 600561555 /nfs/dbraw/zinc/56/15/55/600561555.db2.gz ASSNQFXDVFYNOM-HNNXBMFYSA-N -1 0 338.473 3.732 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC000737105746 600568658 /nfs/dbraw/zinc/56/86/58/600568658.db2.gz AZODWLREPMWELA-UHFFFAOYSA-N -1 0 341.820 3.790 20 0 EHADRM C[C@@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)CCC1CC1 ZINC000736724672 600571130 /nfs/dbraw/zinc/57/11/30/600571130.db2.gz OHGUGVLKCOXOKC-ZDUSSCGKSA-N -1 0 342.395 3.653 20 0 EHADRM C[C@H]1C[C@H](CC(=O)NCc2cccc(OCC(=O)[O-])c2)CC(C)(C)C1 ZINC000237559323 600574510 /nfs/dbraw/zinc/57/45/10/600574510.db2.gz DXJLJYQAGFOFGT-GOEBONIOSA-N -1 0 347.455 3.619 20 0 EHADRM CCCn1c2ccccc2nc1NC(=O)c1ccccc1NC(=O)[O-] ZINC000737050702 600576193 /nfs/dbraw/zinc/57/61/93/600576193.db2.gz MXBOEUYYWYJJPN-UHFFFAOYSA-N -1 0 338.367 3.789 20 0 EHADRM C[C@H](CC(=O)[O-])S[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000736552610 600583671 /nfs/dbraw/zinc/58/36/71/600583671.db2.gz NWNFVYRUDALLNI-VWYCJHECSA-N -1 0 329.849 3.502 20 0 EHADRM C[C@H](CC(=O)[O-])S[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000736553351 600584345 /nfs/dbraw/zinc/58/43/45/600584345.db2.gz RMXLLPSGXHCXKQ-RKDXNWHRSA-N -1 0 335.347 3.629 20 0 EHADRM CN(C(=O)c1cc(Cl)sc1Cl)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737332832 600590709 /nfs/dbraw/zinc/59/07/09/600590709.db2.gz FIRVCHLHRRSEHR-LLVKDONJSA-N -1 0 344.219 3.953 20 0 EHADRM CN(C(=O)c1cc(Cl)sc1Cl)[C@H](C(=O)[O-])c1ccccc1 ZINC000737332833 600590800 /nfs/dbraw/zinc/59/08/00/600590800.db2.gz FIRVCHLHRRSEHR-NSHDSACASA-N -1 0 344.219 3.953 20 0 EHADRM CN(C(=O)CCc1ccccc1Cl)[C@H](C(=O)[O-])c1ccccc1 ZINC000737321378 600592368 /nfs/dbraw/zinc/59/23/68/600592368.db2.gz ALGCYFVGDCAXQV-KRWDZBQOSA-N -1 0 331.799 3.557 20 0 EHADRM C[C@H](CC(=O)[O-])SCC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000736550155 600592698 /nfs/dbraw/zinc/59/26/98/600592698.db2.gz BTUJCYPHJRNZSJ-OAHLLOKOSA-N -1 0 343.448 3.816 20 0 EHADRM CN(C(=O)c1cccc(Cl)c1Cl)[C@H](C(=O)[O-])c1ccccc1 ZINC000737341300 600594614 /nfs/dbraw/zinc/59/46/14/600594614.db2.gz RBNKUFLTTZWTAQ-AWEZNQCLSA-N -1 0 338.190 3.891 20 0 EHADRM CN(C(=O)c1cccc(Cl)c1Cl)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737341302 600594643 /nfs/dbraw/zinc/59/46/43/600594643.db2.gz RBNKUFLTTZWTAQ-CQSZACIVSA-N -1 0 338.190 3.891 20 0 EHADRM O=C([O-])Nc1cccc(N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)c1 ZINC000740040021 600595017 /nfs/dbraw/zinc/59/50/17/600595017.db2.gz CVFGAHPHCPSBJL-HNNXBMFYSA-N -1 0 345.786 3.647 20 0 EHADRM CCCc1cc(C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)sc1C ZINC000737044658 600599055 /nfs/dbraw/zinc/59/90/55/600599055.db2.gz YMJRUFLLDVEODJ-MRXNPFEDSA-N -1 0 331.437 3.907 20 0 EHADRM Cc1ccccc1C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000486366390 600599440 /nfs/dbraw/zinc/59/94/40/600599440.db2.gz BWPKQARIWKUQOD-SFHVURJKSA-N -1 0 347.414 3.822 20 0 EHADRM C[C@H](CS[C@@H](C)C(=O)N[C@@H](C)c1cccc2ccccc21)C(=O)[O-] ZINC000736613560 600599551 /nfs/dbraw/zinc/59/95/51/600599551.db2.gz AMILEAAJSXMGIX-RDBSUJKOSA-N -1 0 345.464 3.859 20 0 EHADRM CC[C@](C)(NC(=O)Nc1cc(C(=O)[O-])ccc1C)c1nccs1 ZINC000736860717 600600041 /nfs/dbraw/zinc/60/00/41/600600041.db2.gz DAOSDXLNPVJUEL-INIZCTEOSA-N -1 0 333.413 3.597 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CCC(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)o1 ZINC000736762422 600601581 /nfs/dbraw/zinc/60/15/81/600601581.db2.gz ATQKEHDBSUWNNZ-VVFCZOMOSA-N -1 0 341.407 3.620 20 0 EHADRM COC(=O)c1sc2cccc(F)c2c1CSC[C@H](C)C(=O)[O-] ZINC000737718950 600602338 /nfs/dbraw/zinc/60/23/38/600602338.db2.gz KCWMEIVFQGUUPF-QMMMGPOBSA-N -1 0 342.413 3.781 20 0 EHADRM O=C([O-])CN(C(=O)c1cc(Cl)sc1Cl)c1ccccc1 ZINC000156367835 600603101 /nfs/dbraw/zinc/60/31/01/600603101.db2.gz YUGMWSTUEHVNAS-UHFFFAOYSA-N -1 0 330.192 3.786 20 0 EHADRM CCC/C=C/C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000736972781 600604106 /nfs/dbraw/zinc/60/41/06/600604106.db2.gz GLIMKVZBBQQLFB-CHHNCHTKSA-N -1 0 325.408 3.556 20 0 EHADRM Cc1ccc(CCCCC(=O)N(CC(=O)[O-])c2ccccc2)cc1 ZINC000738589891 600606450 /nfs/dbraw/zinc/60/64/50/600606450.db2.gz ZWPZRZVFYKKANW-UHFFFAOYSA-N -1 0 325.408 3.826 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)C[C@H]2CCc3ccccc32)ccc1F ZINC000740007651 600609856 /nfs/dbraw/zinc/60/98/56/600609856.db2.gz YMBCSHWSHIWPHU-GFCCVEGCSA-N -1 0 328.343 3.974 20 0 EHADRM C[C@H](CC(=O)N[C@](C)(C(=O)[O-])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000237388859 600611842 /nfs/dbraw/zinc/61/18/42/600611842.db2.gz AWPUYEKYKRAVCW-HWPZZCPQSA-N -1 0 343.345 3.569 20 0 EHADRM C[C@@H](CC(=O)N[C@@](C)(C(=O)[O-])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000237548398 600611976 /nfs/dbraw/zinc/61/19/76/600611976.db2.gz AWPUYEKYKRAVCW-MGPLVRAMSA-N -1 0 343.345 3.569 20 0 EHADRM CCC[C@H](CC1CCCCC1)C(=O)Nc1cc(C(=O)[O-])c[nH]c1=O ZINC000736971200 600617025 /nfs/dbraw/zinc/61/70/25/600617025.db2.gz RMORMEGZAQDDAK-CYBMUJFWSA-N -1 0 334.416 3.811 20 0 EHADRM CC(C)[C@@H](CC1CCCCC1)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736352286 600617864 /nfs/dbraw/zinc/61/78/64/600617864.db2.gz JFGULLRZTOZZMP-SJORKVTESA-N -1 0 335.488 3.942 20 0 EHADRM CC(C)[C@@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccccc1Cl ZINC000236661673 600620150 /nfs/dbraw/zinc/62/01/50/600620150.db2.gz LISSDHNDLOIQQB-OAHLLOKOSA-N -1 0 332.787 3.560 20 0 EHADRM CCc1[nH]c(C(=O)N(C)c2ccc(C)c(Cl)c2)c(C)c1C(=O)[O-] ZINC000737237386 600623057 /nfs/dbraw/zinc/62/30/57/600623057.db2.gz KKJQRNAGOGTILY-UHFFFAOYSA-N -1 0 334.803 3.822 20 0 EHADRM Cn1cc(CC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c2ccccc21 ZINC000739027618 600623874 /nfs/dbraw/zinc/62/38/74/600623874.db2.gz QXIVELSSWDOFSC-UHFFFAOYSA-N -1 0 342.782 3.711 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)N2CCc3c(Cl)cccc3C2)c1 ZINC000740140989 600624239 /nfs/dbraw/zinc/62/42/39/600624239.db2.gz TZRNZXLJHYREOU-UHFFFAOYSA-N -1 0 348.761 3.768 20 0 EHADRM CN(CCc1ccc(Cl)cc1)C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000737450091 600624264 /nfs/dbraw/zinc/62/42/64/600624264.db2.gz ZJSCFSQKZWBORY-UHFFFAOYSA-N -1 0 332.787 3.745 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)[O-] ZINC000236932866 600624814 /nfs/dbraw/zinc/62/48/14/600624814.db2.gz HYKKUUTUNCPBIF-KPZWWZAWSA-N -1 0 347.386 3.634 20 0 EHADRM CCc1cccc(CC)c1S(=O)(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000737267207 600635269 /nfs/dbraw/zinc/63/52/69/600635269.db2.gz MYOZAIYXEVIMDT-UHFFFAOYSA-N -1 0 348.424 3.702 20 0 EHADRM Cn1c2ccccc2c2cc(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)sc21 ZINC000739013328 600642110 /nfs/dbraw/zinc/64/21/10/600642110.db2.gz FISZMILYTNXPEV-AWEZNQCLSA-N -1 0 344.436 3.622 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3)C(=O)[O-] ZINC000736243860 600646236 /nfs/dbraw/zinc/64/62/36/600646236.db2.gz JUDBNDIUTAUHGY-QGZVFWFLSA-N -1 0 342.439 3.666 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2nc3c(s2)CCCCCC3)C1 ZINC000739573418 600660366 /nfs/dbraw/zinc/66/03/66/600660366.db2.gz BXMAABIRANJYHB-NEPJUHHUSA-N -1 0 336.457 3.632 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000193109048 600660725 /nfs/dbraw/zinc/66/07/25/600660725.db2.gz AVTCBHDKTRWHSG-BFHYXJOUSA-N -1 0 329.396 3.809 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@H](C(=O)[O-])c2cccs2)cc1 ZINC000448993642 600661208 /nfs/dbraw/zinc/66/12/08/600661208.db2.gz NSIMXVIJZSWCIL-ZOBUZTSGSA-N -1 0 343.448 3.917 20 0 EHADRM CC(C)c1ccc(NC(=O)[C@H]2Cc3cc(F)ccc3O2)c(C(=O)[O-])c1 ZINC000736513840 600661537 /nfs/dbraw/zinc/66/15/37/600661537.db2.gz JYUYGVBCCFGHGK-QGZVFWFLSA-N -1 0 343.354 3.590 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)CC1(O)CCCCC1 ZINC000739216776 600667410 /nfs/dbraw/zinc/66/74/10/600667410.db2.gz QURZRAHUKVEPDR-UHFFFAOYSA-N -1 0 327.380 3.562 20 0 EHADRM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000245908597 600669069 /nfs/dbraw/zinc/66/90/69/600669069.db2.gz FPLXKWUXDLDFEA-FHLIZLRMSA-N -1 0 329.440 3.705 20 0 EHADRM O=C([O-])[C@H](CNc1ncnc2c3ccccc3oc21)c1ccccc1 ZINC000739501939 600671183 /nfs/dbraw/zinc/67/11/83/600671183.db2.gz LIZICRMEOSICDP-CQSZACIVSA-N -1 0 333.347 3.656 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000736562982 600671609 /nfs/dbraw/zinc/67/16/09/600671609.db2.gz ULAZRBIMTUTNSL-KBXCAEBGSA-N -1 0 343.398 3.679 20 0 EHADRM Cc1ccc(-c2cnc(CN(C)[C@H](C(=O)[O-])c3ccccc3)o2)cc1 ZINC000738488529 600672788 /nfs/dbraw/zinc/67/27/88/600672788.db2.gz UNLRWOOSMBQSFZ-IBGZPJMESA-N -1 0 336.391 3.908 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000739896417 600676036 /nfs/dbraw/zinc/67/60/36/600676036.db2.gz OWAFLQWBNSLKCV-UHFFFAOYSA-N -1 0 325.147 3.840 20 0 EHADRM COC(=O)c1ccc(NCc2ccc3ccccc3c2)cc1C(=O)[O-] ZINC000737699834 600683467 /nfs/dbraw/zinc/68/34/67/600683467.db2.gz LVNSNQXRWRWWFK-UHFFFAOYSA-N -1 0 335.359 3.937 20 0 EHADRM CCCN(C(=O)c1cccc(NC(=O)[O-])c1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000737008006 600692796 /nfs/dbraw/zinc/69/27/96/600692796.db2.gz AQINRAOKMQQTMH-CVEARBPZSA-N -1 0 348.443 3.832 20 0 EHADRM Cc1ccc(-c2nc(CN[C@H](C(=O)[O-])c3ccccc3F)co2)cc1 ZINC000756334036 600694600 /nfs/dbraw/zinc/69/46/00/600694600.db2.gz WUZGPEZBEMVCGC-KRWDZBQOSA-N -1 0 340.354 3.705 20 0 EHADRM COc1ccc(SCc2nc(-c3cccc(C(=O)[O-])c3)no2)cc1 ZINC000832476491 600698149 /nfs/dbraw/zinc/69/81/49/600698149.db2.gz MVYXMLZABPDIFY-UHFFFAOYSA-N -1 0 342.376 3.736 20 0 EHADRM Cc1cccc2[nH]cc(Cc3nc(-c4cccc(C(=O)[O-])c4)no3)c21 ZINC000832976357 600700499 /nfs/dbraw/zinc/70/04/99/600700499.db2.gz QRTFGOLXHNSCET-UHFFFAOYSA-N -1 0 333.347 3.815 20 0 EHADRM C[C@H]1CC[C@H](CCC(=O)NCc2c3ccccc3sc2C(=O)[O-])O1 ZINC000676018826 600705920 /nfs/dbraw/zinc/70/59/20/600705920.db2.gz OFJVBYMBDJXSHU-NWDGAFQWSA-N -1 0 347.436 3.563 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)cc1 ZINC000238064963 600706338 /nfs/dbraw/zinc/70/63/38/600706338.db2.gz PRHFPZPMPQZRDN-UGKGYDQZSA-N -1 0 349.430 3.937 20 0 EHADRM O=C([O-])[C@@H](OC(=O)[C@@H]1CCSc2ccccc21)c1ccccc1F ZINC000833349151 600710860 /nfs/dbraw/zinc/71/08/60/600710860.db2.gz BSPPTJCRGSHAIH-WBMJQRKESA-N -1 0 346.379 3.774 20 0 EHADRM C[C@H](CC(=O)c1ccccc1F)C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000827397619 600713424 /nfs/dbraw/zinc/71/34/24/600713424.db2.gz LQUCOBSEHHLMPK-GHMZBOCLSA-N -1 0 348.326 3.630 20 0 EHADRM O=C(/C=C/C1CC1)OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000833092463 600721156 /nfs/dbraw/zinc/72/11/56/600721156.db2.gz FVSRMGGGNJIKEL-VOTSOKGWSA-N -1 0 329.377 3.518 20 0 EHADRM C/C(=C/CSc1nnc(-c2ccccc2F)n1CC(C)C)C(=O)[O-] ZINC000825793172 600723794 /nfs/dbraw/zinc/72/37/94/600723794.db2.gz NZVBJWDFMFRLEA-WQLSENKSSA-N -1 0 349.431 3.863 20 0 EHADRM CCN(CC)c1ccc(-c2nnc(SC/C=C(/C)C(=O)[O-])o2)cc1 ZINC000829683788 600726383 /nfs/dbraw/zinc/72/63/83/600726383.db2.gz DSRMNDXJNTZNPR-BENRWUELSA-N -1 0 347.440 3.706 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)c1cccc(F)c1Cl ZINC000833298696 600734385 /nfs/dbraw/zinc/73/43/85/600734385.db2.gz BNKNSGNZLVWJKH-UHFFFAOYSA-N -1 0 326.682 3.673 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccc(OC2CCC2)cc1)c1ccccc1 ZINC000833349711 600736182 /nfs/dbraw/zinc/73/61/82/600736182.db2.gz FIVDIJCCISRMMG-QGZVFWFLSA-N -1 0 326.348 3.601 20 0 EHADRM C[C@H](Nc1ccc(OCC(=O)[O-])cc1)c1ccc(OC(F)F)cc1 ZINC000827773428 600738112 /nfs/dbraw/zinc/73/81/12/600738112.db2.gz LOXQWRQHIZMIIU-NSHDSACASA-N -1 0 337.322 3.925 20 0 EHADRM O=C([O-])[C@@H](NCc1cc(Br)cs1)c1ccccc1F ZINC000354358923 600739063 /nfs/dbraw/zinc/73/90/63/600739063.db2.gz XBHIBANCJFXDIW-LBPRGKRZSA-N -1 0 344.205 3.565 20 0 EHADRM O=C([O-])c1ccoc1COC(=O)c1cc(Oc2ccccc2)ccn1 ZINC000833353867 600741563 /nfs/dbraw/zinc/74/15/63/600741563.db2.gz VXGASNXUVYIMFS-UHFFFAOYSA-N -1 0 339.303 3.522 20 0 EHADRM C[C@H](CCOc1ccccc1)C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000827422112 600742138 /nfs/dbraw/zinc/74/21/38/600742138.db2.gz LOMJJORPQHPOPQ-CHWSQXEVSA-N -1 0 332.352 3.687 20 0 EHADRM Cc1cc(N[C@H](C(=O)[O-])c2ccccc2F)ccc1C(=O)NC(C)C ZINC000832896537 600747816 /nfs/dbraw/zinc/74/78/16/600747816.db2.gz BTKKWGWZBQOIBG-KRWDZBQOSA-N -1 0 344.386 3.510 20 0 EHADRM CCc1ccc([C@@H]2CCCCN2C(=O)NC2CCC(C(=O)[O-])CC2)o1 ZINC000263512138 600748000 /nfs/dbraw/zinc/74/80/00/600748000.db2.gz ZCHDTEOQHHMMFZ-XUJLQICISA-N -1 0 348.443 3.722 20 0 EHADRM C[C@@H](Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)C(=O)[O-] ZINC000737695087 600750266 /nfs/dbraw/zinc/75/02/66/600750266.db2.gz MUKLUTYSHVZYRP-MRVPVSSYSA-N -1 0 344.264 3.917 20 0 EHADRM Cc1ccc2cccc(C(=O)Nc3ccc(CCC(=O)[O-])cc3)c2n1 ZINC000191021239 600771380 /nfs/dbraw/zinc/77/13/80/600771380.db2.gz DXTRGBYBIQGJHT-UHFFFAOYSA-N -1 0 334.375 3.813 20 0 EHADRM Cc1cccc(N(C(C)C)S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000832970517 600782212 /nfs/dbraw/zinc/78/22/12/600782212.db2.gz ZJGYPNGAAHNYNK-UHFFFAOYSA-N -1 0 347.436 3.605 20 0 EHADRM Cc1ccc2cccc(C(=O)N[C@@H](CC(=O)[O-])c3cccs3)c2n1 ZINC000683299180 600785029 /nfs/dbraw/zinc/78/50/29/600785029.db2.gz UVCABICDNWXIGY-AWEZNQCLSA-N -1 0 340.404 3.551 20 0 EHADRM Cc1cc(NC(=O)[C@@H](c2cccc(Cl)c2)N(C)C)ccc1C(=O)[O-] ZINC000536387603 600786536 /nfs/dbraw/zinc/78/65/36/600786536.db2.gz URRCJKXKLSYVHZ-MRXNPFEDSA-N -1 0 346.814 3.588 20 0 EHADRM C[C@H](OC(=O)c1ccc(C(=O)[O-])cc1)c1ncc(-c2ccccc2)o1 ZINC000736687843 600802995 /nfs/dbraw/zinc/80/29/95/600802995.db2.gz FDKMWLLZTVVSBM-LBPRGKRZSA-N -1 0 337.331 3.958 20 0 EHADRM O=C([O-])c1ccc(COc2cccc(NC(=O)c3ccco3)c2)cc1 ZINC000833315563 600804917 /nfs/dbraw/zinc/80/49/17/600804917.db2.gz UBDUBNQSNFBJQH-UHFFFAOYSA-N -1 0 337.331 3.809 20 0 EHADRM Cc1ccc(F)c(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000776675167 600806700 /nfs/dbraw/zinc/80/67/00/600806700.db2.gz QIGQAKICTNYRBY-OAHLLOKOSA-N -1 0 335.762 3.733 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000776673375 600808037 /nfs/dbraw/zinc/80/80/37/600808037.db2.gz DMPODMATWHCHPC-INIZCTEOSA-N -1 0 349.789 3.744 20 0 EHADRM Cc1[nH]c(C(=O)N2CC[C@H](C)C[C@H]2c2ccco2)c(C)c1C(=O)[O-] ZINC000832843382 600810149 /nfs/dbraw/zinc/81/01/49/600810149.db2.gz LAPOMVDTPKKKEX-GWCFXTLKSA-N -1 0 330.384 3.536 20 0 EHADRM C[C@H](CS[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1)C(=O)[O-] ZINC000736617536 600819488 /nfs/dbraw/zinc/81/94/88/600819488.db2.gz OEGFNJCTOXJCRR-ZJUUUORDSA-N -1 0 340.832 3.829 20 0 EHADRM Cc1ccc(F)c(NC(=S)N2C[C@@H](CC(=O)[O-])c3ccccc32)c1 ZINC000738604402 600820476 /nfs/dbraw/zinc/82/04/76/600820476.db2.gz RAFQSUZWQREDJM-GFCCVEGCSA-N -1 0 344.411 3.909 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=S)Nc2ccc(Cl)nc2)c2ccccc21 ZINC000739653734 600820867 /nfs/dbraw/zinc/82/08/67/600820867.db2.gz NSSKFDJLKRUSTR-JTQLQIEISA-N -1 0 347.827 3.510 20 0 EHADRM Cc1ccc(-c2cnc(CN(CC(=O)[O-])Cc3ccccc3)o2)cc1 ZINC000832906912 600821397 /nfs/dbraw/zinc/82/13/97/600821397.db2.gz DYDSYJXZTFKGAA-UHFFFAOYSA-N -1 0 336.391 3.737 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)c(C(=O)[O-])c1 ZINC000543446153 600833424 /nfs/dbraw/zinc/83/34/24/600833424.db2.gz CPARFAJPQQYWDC-WCQYABFASA-N -1 0 331.318 3.714 20 0 EHADRM Cc1cc(CN2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)oc1C(=O)[O-] ZINC000519710038 600835186 /nfs/dbraw/zinc/83/51/86/600835186.db2.gz UMUKEBUJJAVKMG-MAUKXSAKSA-N -1 0 343.423 3.865 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)c(F)c1 ZINC000479495835 600840024 /nfs/dbraw/zinc/84/00/24/600840024.db2.gz IGTBCNJLLGRVNJ-CMPLNLGQSA-N -1 0 335.281 3.544 20 0 EHADRM CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000829075346 600840346 /nfs/dbraw/zinc/84/03/46/600840346.db2.gz PSAWLKPFIMYSST-UKRRQHHQSA-N -1 0 345.443 3.637 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2c(F)cccc2F)c(OC(F)F)c1 ZINC000740149868 600842427 /nfs/dbraw/zinc/84/24/27/600842427.db2.gz FCWSCIGCHPLMLC-UHFFFAOYSA-N -1 0 343.232 3.517 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)NCCCCCC(=O)[O-])o2)cc1 ZINC000236988192 600847950 /nfs/dbraw/zinc/84/79/50/600847950.db2.gz MKLVEWKLASAIBT-UHFFFAOYSA-N -1 0 329.396 3.884 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)c2ccccc21 ZINC000739641026 600854350 /nfs/dbraw/zinc/85/43/50/600854350.db2.gz IDUPEUKJRDGWOH-DJIMGWMZSA-N -1 0 327.424 3.808 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000737257460 600855412 /nfs/dbraw/zinc/85/54/12/600855412.db2.gz OYRPWODSWYXODS-RHSMWYFYSA-N -1 0 337.419 3.958 20 0 EHADRM CCCc1nc(C)c(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)s1 ZINC000737049778 600861822 /nfs/dbraw/zinc/86/18/22/600861822.db2.gz DFELMQRHZDBVCQ-GFCCVEGCSA-N -1 0 344.436 3.623 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000347389056 600863072 /nfs/dbraw/zinc/86/30/72/600863072.db2.gz ZUODZMRJSLDHJF-OAHLLOKOSA-N -1 0 343.398 3.508 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)[C@H]2CCCc3ccccc32)c2ccccc21 ZINC000327514862 600863215 /nfs/dbraw/zinc/86/32/15/600863215.db2.gz HGABKPJRFVNMOC-YJBOKZPZSA-N -1 0 335.403 3.712 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)[C@H]2SCCc3ccccc32)c1 ZINC000833290081 600863481 /nfs/dbraw/zinc/86/34/81/600863481.db2.gz WTWBQWNIDCFDGT-HNNXBMFYSA-N -1 0 328.393 3.746 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)C1CCC(c2ccccc2)CC1 ZINC000236704464 600864054 /nfs/dbraw/zinc/86/40/54/600864054.db2.gz DRBUQDDEPLIKMP-UHFFFAOYSA-N -1 0 331.456 3.920 20 0 EHADRM CCc1nc(C)c([C@H](C)N(C)C(=O)c2cccc(C(=O)[O-])c2)s1 ZINC000583024752 600864200 /nfs/dbraw/zinc/86/42/00/600864200.db2.gz IOTGHUSVHCJZDT-NSHDSACASA-N -1 0 332.425 3.545 20 0 EHADRM CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000320692651 600871044 /nfs/dbraw/zinc/87/10/44/600871044.db2.gz MUDUTGJQYBGMSB-WDEREUQCSA-N -1 0 344.238 3.843 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)C[C@@H]2CCCC[C@H]2C)c1OC ZINC000538505453 600877231 /nfs/dbraw/zinc/87/72/31/600877231.db2.gz VZZSNAKZLVEPSL-NEPJUHHUSA-N -1 0 335.400 3.557 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Cc2cc3ccccc3o2)cc1 ZINC000736228639 600879942 /nfs/dbraw/zinc/87/99/42/600879942.db2.gz ZWJGLHZAVTUJCE-UHFFFAOYSA-N -1 0 337.375 3.976 20 0 EHADRM CCC(CC)[S@](=O)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000828863054 600881797 /nfs/dbraw/zinc/88/17/97/600881797.db2.gz UMLPHEXQEACOMT-JOCHJYFZSA-N -1 0 337.466 3.946 20 0 EHADRM CC(C)CC[S@](=O)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000826861176 600881801 /nfs/dbraw/zinc/88/18/01/600881801.db2.gz QBCMSYBPTDHTHH-QFIPXVFZSA-N -1 0 337.466 3.803 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000192935667 600883443 /nfs/dbraw/zinc/88/34/43/600883443.db2.gz XLTZJFYVBYVVEQ-CXAGYDPISA-N -1 0 341.382 3.609 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1 ZINC000263190136 600883664 /nfs/dbraw/zinc/88/36/64/600883664.db2.gz XZTYUMHYNUTVPC-DLBZAZTESA-N -1 0 341.382 3.930 20 0 EHADRM CCN(C(=O)[C@@H]1SCCc2sccc21)c1ccccc1C(=O)[O-] ZINC000829590824 600887881 /nfs/dbraw/zinc/88/78/81/600887881.db2.gz GGBVUCMSGNATQX-OAHLLOKOSA-N -1 0 347.461 3.830 20 0 EHADRM CC(C)Oc1ccccc1[C@H](C)NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000326495109 600892667 /nfs/dbraw/zinc/89/26/67/600892667.db2.gz GVCXWSCSGLYWMT-ZNMIVQPWSA-N -1 0 333.428 3.542 20 0 EHADRM Cc1cc2cc(C(=O)NC[C@@H](C(=O)[O-])c3ccccc3)oc2cc1C ZINC000486281426 600896171 /nfs/dbraw/zinc/89/61/71/600896171.db2.gz IWVAZSLKUWGKCC-MRXNPFEDSA-N -1 0 337.375 3.648 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000357414728 600902816 /nfs/dbraw/zinc/90/28/16/600902816.db2.gz DTMCKTAZMCLHIP-YVEFUNNKSA-N -1 0 327.355 3.747 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(C(=O)[O-])s2)c2ccccc12 ZINC000832174692 600903186 /nfs/dbraw/zinc/90/31/86/600903186.db2.gz JEDSMFPRHTZMMR-UHFFFAOYSA-N -1 0 327.361 3.860 20 0 EHADRM Cc1[nH]c2ccccc2c1C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000327196527 600910093 /nfs/dbraw/zinc/91/00/93/600910093.db2.gz NWVWIAVRDFTGOU-ZDUSSCGKSA-N -1 0 334.375 3.695 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)CCn2ccc3ccccc32)c2ccccc21 ZINC000739641704 600911806 /nfs/dbraw/zinc/91/18/06/600911806.db2.gz LJYCUKXEWNPPKM-INIZCTEOSA-N -1 0 348.402 3.637 20 0 EHADRM Cc1[nH]c(C(=O)N2CCC[C@@H]2c2cccc(C)c2C)c(C)c1C(=O)[O-] ZINC000738687712 600912624 /nfs/dbraw/zinc/91/26/24/600912624.db2.gz RJGLZUZJSORSEK-MRXNPFEDSA-N -1 0 340.423 3.924 20 0 EHADRM CC(C)C[C@@H](CNC(=O)C1(c2ccccc2F)CCCC1)C(=O)[O-] ZINC000486283146 600920157 /nfs/dbraw/zinc/92/01/57/600920157.db2.gz LSGJUJGMNLESJW-AWEZNQCLSA-N -1 0 335.419 3.501 20 0 EHADRM CCc1cnc(NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])s1 ZINC000830299434 600920552 /nfs/dbraw/zinc/92/05/52/600920552.db2.gz POXBUXRUYRMNLF-SECBINFHSA-N -1 0 336.438 3.523 20 0 EHADRM CCC(CC)(NC(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)[O-] ZINC000342534568 600925106 /nfs/dbraw/zinc/92/51/06/600925106.db2.gz WQHBKERSZZQRMX-UHFFFAOYSA-N -1 0 347.386 3.778 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000343095955 600932020 /nfs/dbraw/zinc/93/20/20/600932020.db2.gz LSYFNSASCGARQY-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM C[C@H]1CN(C(=O)Cn2cc(C(=O)[O-])c3ccccc32)[C@@H]1c1ccccc1 ZINC000828347780 600936973 /nfs/dbraw/zinc/93/69/73/600936973.db2.gz GCWLYJLMDZGUGL-XOBRGWDASA-N -1 0 348.402 3.559 20 0 EHADRM O=C([O-])CCN(C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1cccc(F)c1 ZINC000739710725 600939688 /nfs/dbraw/zinc/93/96/88/600939688.db2.gz HOPOAXSNWLYBIM-SJORKVTESA-N -1 0 345.345 3.576 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000829009792 600946103 /nfs/dbraw/zinc/94/61/03/600946103.db2.gz QFLFSLNRXBVWLW-LXZKKBNFSA-N -1 0 334.412 3.593 20 0 EHADRM CCCc1ncc(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)s1 ZINC000829570118 600948343 /nfs/dbraw/zinc/94/83/43/600948343.db2.gz AVSPCBYKRVULFD-ZDUSSCGKSA-N -1 0 339.800 3.732 20 0 EHADRM Cc1cc(NC(=O)[C@H]2SCCc3sccc32)sc1C(=O)[O-] ZINC000832893220 600966067 /nfs/dbraw/zinc/96/60/67/600966067.db2.gz KYCVCZGPNJGNFV-LBPRGKRZSA-N -1 0 339.463 3.785 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000829009936 600967007 /nfs/dbraw/zinc/96/70/07/600967007.db2.gz WFXIBTBKUXUSSF-UTUOFQBUSA-N -1 0 325.430 3.759 20 0 EHADRM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2cccc(C(=O)[O-])n2)o1 ZINC000262348912 600967368 /nfs/dbraw/zinc/96/73/68/600967368.db2.gz BBQRPJFPPFDIDS-WBMJQRKESA-N -1 0 342.395 3.549 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(OC3CCC3)cc2)c(F)cc1F ZINC000833150717 600969070 /nfs/dbraw/zinc/96/90/70/600969070.db2.gz IPHPXTMQHHQRRH-UHFFFAOYSA-N -1 0 347.317 3.847 20 0 EHADRM O=C([O-])c1ccc(C(=O)OCc2ncc(-c3ccccc3F)o2)cc1 ZINC000740120397 600981777 /nfs/dbraw/zinc/98/17/77/600981777.db2.gz HMVNHUHTKVOGFP-UHFFFAOYSA-N -1 0 341.294 3.536 20 0 EHADRM Cc1cc(C(=O)[C@H](C)S[C@@H](C)CC(=O)[O-])c(C)n1Cc1ccco1 ZINC000738203551 600985804 /nfs/dbraw/zinc/98/58/04/600985804.db2.gz UDISTZKESZLIPD-JSGCOSHPSA-N -1 0 349.452 3.914 20 0 EHADRM O=C([O-])c1cccc(-c2nc(CSc3cnccn3)cs2)c1 ZINC000833326925 600987959 /nfs/dbraw/zinc/98/79/59/600987959.db2.gz XTDVBCQGVNWQRC-UHFFFAOYSA-N -1 0 329.406 3.591 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000736343630 600992906 /nfs/dbraw/zinc/99/29/06/600992906.db2.gz LYQWFXPBHUKMSW-UHFFFAOYSA-N -1 0 325.364 3.982 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000094702842 600994110 /nfs/dbraw/zinc/99/41/10/600994110.db2.gz VYDLKTBESMCQSC-VIFPVBQESA-N -1 0 333.215 3.862 20 0 EHADRM C[C@@H](C(=O)Nc1sc2c(c1C(=O)[O-])CCC2)c1cccc(F)c1 ZINC000736219550 600995016 /nfs/dbraw/zinc/99/50/16/600995016.db2.gz QWYUTOGHFFMVCR-SECBINFHSA-N -1 0 333.384 3.816 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)Nc3ccc(C(=O)[O-])s3)c2c1 ZINC000832958610 600995767 /nfs/dbraw/zinc/99/57/67/600995767.db2.gz CGRVQLAJULCOMY-UHFFFAOYSA-N -1 0 328.393 3.807 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)Oc3ccccc3CC(=O)[O-])c2c1 ZINC000832960937 600997278 /nfs/dbraw/zinc/99/72/78/600997278.db2.gz UXBSVAXIKMQBRW-UHFFFAOYSA-N -1 0 337.375 3.642 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CC[C@@H](Cc2ccccc2)C1 ZINC000832914894 600998576 /nfs/dbraw/zinc/99/85/76/600998576.db2.gz CDOKRWGHQMLSGJ-INIZCTEOSA-N -1 0 338.407 3.790 20 0 EHADRM O=C([O-])[C@@H](c1ccccc1F)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000833174766 600999433 /nfs/dbraw/zinc/99/94/33/600999433.db2.gz VYJFBPZPULRPOH-GOSISDBHSA-N -1 0 342.345 3.630 20 0 EHADRM O=C([O-])C1(NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CCCC1 ZINC000237953151 601001433 /nfs/dbraw/zinc/00/14/33/601001433.db2.gz TUVPMDSCIJHSTR-STQMWFEESA-N -1 0 342.222 3.611 20 0 EHADRM Cc1c(NC(=O)c2ccc(-c3ccccc3)n2C)cccc1C(=O)[O-] ZINC000738306584 601001555 /nfs/dbraw/zinc/00/15/55/601001555.db2.gz UZFXAAWFWJNJBN-UHFFFAOYSA-N -1 0 334.375 3.951 20 0 EHADRM Cc1ccc(-c2ocnc2C(=O)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC000738493860 601001765 /nfs/dbraw/zinc/00/17/65/601001765.db2.gz HKUQFBWJKWKBAG-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cc(Cl)ccc2NC2CC2)s1 ZINC000833311647 601001932 /nfs/dbraw/zinc/00/19/32/601001932.db2.gz XYAGXSBIMFMJLY-UHFFFAOYSA-N -1 0 336.800 3.926 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)[C@H](C)c1ccccc1C(F)(F)F ZINC000736432470 601003938 /nfs/dbraw/zinc/00/39/38/601003938.db2.gz CUXZHLZRPAKDKC-GFCCVEGCSA-N -1 0 345.361 3.768 20 0 EHADRM COc1ccc(NC(=O)[C@@H](C)c2cccc(Cl)c2)c(C(=O)[O-])c1 ZINC000519128284 601005608 /nfs/dbraw/zinc/00/56/08/601005608.db2.gz LSYLLTVKCAWEMV-JTQLQIEISA-N -1 0 333.771 3.789 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1)Oc1cccc(Cl)c1 ZINC000827485967 601006156 /nfs/dbraw/zinc/00/61/56/601006156.db2.gz FKKXEYMNKSEDDR-LLVKDONJSA-N -1 0 348.786 3.627 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1F ZINC000827486505 601007063 /nfs/dbraw/zinc/00/70/63/601007063.db2.gz OGRUCCKZNIUCKG-JTQLQIEISA-N -1 0 334.322 3.588 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1)Oc1ccccc1Cl ZINC000827486024 601007300 /nfs/dbraw/zinc/00/73/00/601007300.db2.gz FTQNOISGALMXCI-NSHDSACASA-N -1 0 348.786 3.627 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCc2ccc(-c3cccnc3)cc2)cc1 ZINC000833144520 601008242 /nfs/dbraw/zinc/00/82/42/601008242.db2.gz VKLUPCXOBOOXDS-UHFFFAOYSA-N -1 0 347.374 3.769 20 0 EHADRM Cc1ccc(O[C@@H](C)CNC(=O)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC000832950543 601015815 /nfs/dbraw/zinc/01/58/15/601015815.db2.gz IDLRXRKUGUFQTJ-ZDUSSCGKSA-N -1 0 342.395 3.591 20 0 EHADRM CCC[C@@]1(C)CCCN(C(=O)Nc2cccc(OCC(=O)[O-])c2)C1 ZINC000829237840 601017929 /nfs/dbraw/zinc/01/79/29/601017929.db2.gz GTBJDSDCDMOXDD-SFHVURJKSA-N -1 0 334.416 3.584 20 0 EHADRM Cc1ccc(O[C@H](C)CNC(=O)Nc2cccc(NC(=O)[O-])c2)cc1 ZINC000832951181 601022552 /nfs/dbraw/zinc/02/25/52/601022552.db2.gz RINDORARKXSFCE-CYBMUJFWSA-N -1 0 343.383 3.674 20 0 EHADRM Cc1cnc([C@@H](NC(=O)Nc2cccc(NC(=O)[O-])c2)C2CC2)s1 ZINC000832985510 601022593 /nfs/dbraw/zinc/02/25/93/601022593.db2.gz GDUPBYRJLNSMPC-ZDUSSCGKSA-N -1 0 346.412 3.814 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)N2CC[C@H](Cc3ccccc3)C2)c1 ZINC000833288110 601024515 /nfs/dbraw/zinc/02/45/15/601024515.db2.gz IVNSWYGFUXIROI-OAHLLOKOSA-N -1 0 339.395 3.873 20 0 EHADRM Cc1c(CSC(C)C)cccc1NC(=O)c1ccc(C(=O)[O-])cn1 ZINC000190655894 601029535 /nfs/dbraw/zinc/02/95/35/601029535.db2.gz HFWXDFLGTDJATO-UHFFFAOYSA-N -1 0 344.436 3.982 20 0 EHADRM CC1CCC(N(C[C@@H]2CCCO2)C(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000236785866 601033724 /nfs/dbraw/zinc/03/37/24/601033724.db2.gz DFJFWXBDSHCPAQ-UYJHFMRCSA-N -1 0 345.439 3.585 20 0 EHADRM Cc1ccc(CCCC(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)cc1 ZINC000738589711 601035727 /nfs/dbraw/zinc/03/57/27/601035727.db2.gz VSRJUUQOTDGHEE-UHFFFAOYSA-N -1 0 344.436 3.668 20 0 EHADRM O=C([O-])c1cnc(N(C(=O)c2cc3cc(F)ccc3o2)C2CC2)s1 ZINC000740260389 601040342 /nfs/dbraw/zinc/04/03/42/601040342.db2.gz RTZPLHTUIULADS-UHFFFAOYSA-N -1 0 346.339 3.536 20 0 EHADRM Cc1ccc(O[C@H](C)CNC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000832950651 601040998 /nfs/dbraw/zinc/04/09/98/601040998.db2.gz KPGMTBNQGJAORG-CQSZACIVSA-N -1 0 342.395 3.591 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1ccc(C(=O)[O-])c(C)c1)c1nc(C)cs1 ZINC000828686210 601041496 /nfs/dbraw/zinc/04/14/96/601041496.db2.gz WQSIISPEZNQUAI-QGZVFWFLSA-N -1 0 347.440 3.905 20 0 EHADRM Cc1cc(C)cc(C[C@H](C)NC(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000237521089 601043125 /nfs/dbraw/zinc/04/31/25/601043125.db2.gz SDJOIUAHPMJRRW-INIZCTEOSA-N -1 0 339.435 3.682 20 0 EHADRM CC[C@@H](C)C[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000828735560 601048492 /nfs/dbraw/zinc/04/84/92/601048492.db2.gz BZXLZNYOGCRJCT-NXEZZACHSA-N -1 0 344.358 3.932 20 0 EHADRM C[C@@H](CN(C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1)C1CC1)C(=O)[O-] ZINC000262091835 601057671 /nfs/dbraw/zinc/05/76/71/601057671.db2.gz CSGBJGYHFLDTBU-UWVGGRQHSA-N -1 0 344.238 3.809 20 0 EHADRM Cc1ccc([C@H](CNC(=O)[C@H](C)c2cccc(Cl)c2)C(=O)[O-])cc1 ZINC000537366936 601060748 /nfs/dbraw/zinc/06/07/48/601060748.db2.gz BAPCUTNHANWARQ-DYVFJYSZSA-N -1 0 345.826 3.737 20 0 EHADRM O=C([O-])[C@H](OC(=O)CCc1ccco1)c1ccc(Cl)cc1Cl ZINC000833103257 601061052 /nfs/dbraw/zinc/06/10/52/601061052.db2.gz GZOXUOJGTRGGSA-CQSZACIVSA-N -1 0 343.162 3.888 20 0 EHADRM Cc1ccc(NC(=O)c2ccc3[nH]c(C(F)F)nc3c2)cc1C(=O)[O-] ZINC000532263764 601064470 /nfs/dbraw/zinc/06/44/70/601064470.db2.gz MHFRFHTWUWPEQQ-UHFFFAOYSA-N -1 0 345.305 3.759 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(Cl)nc2Cl)cc1C(=O)[O-] ZINC000235859181 601065273 /nfs/dbraw/zinc/06/52/73/601065273.db2.gz HBJRDCATFZLELB-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM CCc1ccc(CCC(=O)O[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000830245009 601066603 /nfs/dbraw/zinc/06/66/03/601066603.db2.gz OBIRVCPOTASCGI-GOSISDBHSA-N -1 0 330.355 3.690 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)cc1C(=O)[O-] ZINC000237705319 601066639 /nfs/dbraw/zinc/06/66/39/601066639.db2.gz MQYBMYBJEPQJGM-KGLIPLIRSA-N -1 0 331.318 3.714 20 0 EHADRM CCCn1ccc2ccc(NC(=O)NCc3ccc(C(=O)[O-])o3)cc21 ZINC000829585331 601070820 /nfs/dbraw/zinc/07/08/20/601070820.db2.gz PAWRWZASVFQDME-UHFFFAOYSA-N -1 0 341.367 3.664 20 0 EHADRM O=C([O-])[C@@H](OC(=O)CSC(F)F)c1ccc(Cl)cc1Cl ZINC000833115098 601075172 /nfs/dbraw/zinc/07/51/72/601075172.db2.gz XNHRHAGJXMDJAX-VIFPVBQESA-N -1 0 345.150 3.618 20 0 EHADRM CCc1[nH]c(C(=O)N(C)Cc2cc3ccccc3o2)c(C)c1C(=O)[O-] ZINC000830184026 601076298 /nfs/dbraw/zinc/07/62/98/601076298.db2.gz QOPQPBBVDYKPMJ-UHFFFAOYSA-N -1 0 340.379 3.602 20 0 EHADRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)c1cc2ccccc2[nH]1 ZINC000833179364 601079835 /nfs/dbraw/zinc/07/98/35/601079835.db2.gz NCADUMMZGWEKLK-MAUKXSAKSA-N -1 0 340.423 3.664 20 0 EHADRM C[C@H](C(=O)N1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-])c1cccs1 ZINC000825977366 601084221 /nfs/dbraw/zinc/08/42/21/601084221.db2.gz FEXQXNLHJFZOOZ-NWANDNLSSA-N -1 0 335.469 3.734 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)[C@H](C)C1 ZINC000325470577 601089993 /nfs/dbraw/zinc/08/99/93/601089993.db2.gz VJIQSFPNAVYHCY-IOASZLSFSA-N -1 0 332.444 3.995 20 0 EHADRM Cc1c(Cl)c(C(=O)[O-])nn1CN1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000738290586 601091159 /nfs/dbraw/zinc/09/11/59/601091159.db2.gz RFPNZWLJPQERGB-IUODEOHRSA-N -1 0 347.846 3.626 20 0 EHADRM CSCC[C@@H](C)N(C)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000322238661 601091431 /nfs/dbraw/zinc/09/14/31/601091431.db2.gz FTCBAKNILVSRJA-GFCCVEGCSA-N -1 0 338.473 3.654 20 0 EHADRM CSc1ccc(C)c(C(=O)N(CCC(=O)[O-])c2cccc(F)c2)c1 ZINC000738211427 601093637 /nfs/dbraw/zinc/09/36/37/601093637.db2.gz ICPAXJMVIZXCHM-UHFFFAOYSA-N -1 0 347.411 3.978 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1cccc(O)c1 ZINC000827671372 601094400 /nfs/dbraw/zinc/09/44/00/601094400.db2.gz FTBABEHWNHOVQC-GFCCVEGCSA-N -1 0 342.395 3.637 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1csc(C2CC2)n1 ZINC000833181011 601094920 /nfs/dbraw/zinc/09/49/20/601094920.db2.gz YLMKMHFCCBYQHL-HIFRSBDPSA-N -1 0 348.468 3.516 20 0 EHADRM C[C@H](c1ccccn1)N(C)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000827948797 601095818 /nfs/dbraw/zinc/09/58/18/601095818.db2.gz DXWDYPXREIHQMF-CYBMUJFWSA-N -1 0 341.411 3.669 20 0 EHADRM C[C@@H](c1ccccn1)N(C)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000827948799 601095913 /nfs/dbraw/zinc/09/59/13/601095913.db2.gz DXWDYPXREIHQMF-ZDUSSCGKSA-N -1 0 341.411 3.669 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1F ZINC000833352296 601097755 /nfs/dbraw/zinc/09/77/55/601097755.db2.gz VMYXTKISCCCIMV-HNNXBMFYSA-N -1 0 347.729 3.943 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1ccccc1CC(F)(F)F ZINC000417751980 601097749 /nfs/dbraw/zinc/09/77/49/601097749.db2.gz QDFZYBYGQCFAGS-UHFFFAOYSA-N -1 0 332.322 3.558 20 0 EHADRM CN(Cc1nc(C(F)(F)F)cs1)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000573259106 601115620 /nfs/dbraw/zinc/11/56/20/601115620.db2.gz HONVMRNKOFXORI-LBPRGKRZSA-N -1 0 348.321 3.559 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000827042629 601126405 /nfs/dbraw/zinc/12/64/05/601126405.db2.gz URVNMWHDCIKOTQ-GJZGRUSLSA-N -1 0 346.427 3.826 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2ccc(Oc3ccccc3)o2)c2ccccc21 ZINC000192961057 601137454 /nfs/dbraw/zinc/13/74/54/601137454.db2.gz OCJCFRAZHUKUIF-HNNXBMFYSA-N -1 0 349.342 3.901 20 0 EHADRM Cc1nc(CCCC(=O)Oc2cc(Cl)ccc2C(=O)[O-])cs1 ZINC000832999212 601142197 /nfs/dbraw/zinc/14/21/97/601142197.db2.gz VXABUQCOODCMEN-UHFFFAOYSA-N -1 0 339.800 3.731 20 0 EHADRM Cc1ccc(NC(=O)N(C)[C@H](C)c2cccc(O)c2)cc1C(=O)[O-] ZINC000832944392 601143262 /nfs/dbraw/zinc/14/32/62/601143262.db2.gz DADNTERDRORTIT-GFCCVEGCSA-N -1 0 328.368 3.624 20 0 EHADRM C[C@@H](CC(=O)N(CC(=O)[O-])c1cccc(F)c1)c1cccc(F)c1 ZINC000827218297 601147284 /nfs/dbraw/zinc/14/72/84/601147284.db2.gz OSYUOYCHGKHXBN-LBPRGKRZSA-N -1 0 333.334 3.576 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2F)cc1 ZINC000325312075 601148462 /nfs/dbraw/zinc/14/84/62/601148462.db2.gz QKEQZIZZRWTLQQ-UHFFFAOYSA-N -1 0 341.260 3.724 20 0 EHADRM C[C@H]1CCN(C(=O)NC2CCC(C(=O)[O-])CC2)[C@H]1c1cccc(F)c1 ZINC000263514242 601149797 /nfs/dbraw/zinc/14/97/97/601149797.db2.gz ZUSMPPSKWADUNL-ZJOIDMRUSA-N -1 0 348.418 3.562 20 0 EHADRM Cc1ccc(SC2(C(=O)N3CCC[C@@H](C(=O)[O-])C3)CCCC2)cc1 ZINC000237860832 601152505 /nfs/dbraw/zinc/15/25/05/601152505.db2.gz RWYNPNRLDWQXOB-OAHLLOKOSA-N -1 0 347.480 3.723 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2ccc(OC(C)(C)C)cc2)c1 ZINC000832178737 601155403 /nfs/dbraw/zinc/15/54/03/601155403.db2.gz LFVOUESDSHNZQA-UHFFFAOYSA-N -1 0 343.379 3.823 20 0 EHADRM Cc1cc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)ccc1C(F)(F)F ZINC000832893534 601160160 /nfs/dbraw/zinc/16/01/60/601160160.db2.gz OULQVIPPOMPLQQ-QWRGUYRKSA-N -1 0 329.318 3.843 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000776629859 601162573 /nfs/dbraw/zinc/16/25/73/601162573.db2.gz IDYSZBKRJXHERY-FDSUEATNSA-N -1 0 341.382 3.807 20 0 EHADRM C[C@H]1CSc2ccccc2N1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000828516608 601173810 /nfs/dbraw/zinc/17/38/10/601173810.db2.gz OIHGTKFCMUWWMT-NSHDSACASA-N -1 0 328.393 3.918 20 0 EHADRM Cc1ccc2nc(C3CC3)cc(C(=O)Nc3cc(C(=O)[O-])ccn3)c2c1 ZINC000832959498 601182324 /nfs/dbraw/zinc/18/23/24/601182324.db2.gz HBNZRGCSJXKKDZ-UHFFFAOYSA-N -1 0 347.374 3.766 20 0 EHADRM Cc1oc(-c2ccccc2)nc1C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000532004552 601184282 /nfs/dbraw/zinc/18/42/82/601184282.db2.gz OVGGWUOVGDFSDJ-UHFFFAOYSA-N -1 0 342.395 3.557 20 0 EHADRM C[C@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)[C@@H](C)c1ccccc1 ZINC000237615163 601184501 /nfs/dbraw/zinc/18/45/01/601184501.db2.gz NZSRLICCMSYVDR-CABCVRRESA-N -1 0 325.408 3.626 20 0 EHADRM Cc1oc(-c2cccs2)nc1COC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833024396 601190575 /nfs/dbraw/zinc/19/05/75/601190575.db2.gz CXTPNBSHJYIWOK-NWDGAFQWSA-N -1 0 349.408 3.646 20 0 EHADRM CCS[C@H]1CCC[C@@H](NC(=O)Nc2cccc(C(=O)[O-])c2C)C1 ZINC000830157087 601190854 /nfs/dbraw/zinc/19/08/54/601190854.db2.gz FCCOAXXSGVXXPJ-OLZOCXBDSA-N -1 0 336.457 3.879 20 0 EHADRM CCCCO[C@@H]1C[C@H](NC(=O)Nc2ccc(NC(=O)[O-])cc2)C1(C)C ZINC000829413618 601191388 /nfs/dbraw/zinc/19/13/88/601191388.db2.gz WGOWOIADXIYSRF-LSDHHAIUSA-N -1 0 349.431 3.882 20 0 EHADRM CC[C@H](C)CN(CC)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000828746698 601192344 /nfs/dbraw/zinc/19/23/44/601192344.db2.gz ILAADRJRCQYFDC-JTQLQIEISA-N -1 0 344.358 3.886 20 0 EHADRM CCS[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000830157693 601192810 /nfs/dbraw/zinc/19/28/10/601192810.db2.gz LUYJYLBIOMNFMQ-DGCLKSJQSA-N -1 0 341.408 3.711 20 0 EHADRM O=C([O-])c1sc(N2CCC[C@@H]2Cc2cccc(F)c2)nc1Cl ZINC000833347253 601209317 /nfs/dbraw/zinc/20/93/17/601209317.db2.gz ZYJLYHYGYBRTFZ-LLVKDONJSA-N -1 0 340.807 3.845 20 0 EHADRM COc1ccc(OCCCNc2ccc(CN(C)C(=O)[O-])cc2)cc1 ZINC000832444769 601209958 /nfs/dbraw/zinc/20/99/58/601209958.db2.gz VJSCRLAVZTYVRY-UHFFFAOYSA-N -1 0 344.411 3.686 20 0 EHADRM Cc1cnc(C(C)(C)NCc2cc(C)c(OCC(=O)[O-])c(C)c2)s1 ZINC000832985173 601235242 /nfs/dbraw/zinc/23/52/42/601235242.db2.gz FKGUISFFIRAATJ-UHFFFAOYSA-N -1 0 348.468 3.557 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Oc2cccc(Oc3ccccn3)c2)C1 ZINC000833186882 601237121 /nfs/dbraw/zinc/23/71/21/601237121.db2.gz IYDNFCCXVLJWGM-UONOGXRCSA-N -1 0 341.363 3.670 20 0 EHADRM O=C([O-])c1cc(C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)ccn1 ZINC000238175856 601244869 /nfs/dbraw/zinc/24/48/69/601244869.db2.gz AGIRMFJCYOPKCE-KRWDZBQOSA-N -1 0 342.370 3.580 20 0 EHADRM O=C([O-])Nc1cc(NCc2cnn(-c3ccccc3)c2)ccc1F ZINC000833284031 601249858 /nfs/dbraw/zinc/24/98/58/601249858.db2.gz YDNWZQPGMUJBDB-UHFFFAOYSA-N -1 0 326.331 3.713 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)Nc1cccc(Cl)n1)C(=O)[O-] ZINC000827922270 601269300 /nfs/dbraw/zinc/26/93/00/601269300.db2.gz OHHPUSWAXBOWGN-VIFPVBQESA-N -1 0 336.800 3.553 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2CC23CCCC3)cc1 ZINC000262237885 601269621 /nfs/dbraw/zinc/26/96/21/601269621.db2.gz XOBHTMYEURNOJL-LSDHHAIUSA-N -1 0 333.453 3.621 20 0 EHADRM Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)c(F)c1 ZINC000832913674 601276819 /nfs/dbraw/zinc/27/68/19/601276819.db2.gz MXGLXQQAMCJOSJ-UHFFFAOYSA-N -1 0 342.370 3.685 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000666362069 601276953 /nfs/dbraw/zinc/27/69/53/601276953.db2.gz JDPBAHCNYBAGHX-KRWDZBQOSA-N -1 0 327.380 3.798 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)c2cccc3[nH]ccc32)c1 ZINC000238083725 601281922 /nfs/dbraw/zinc/28/19/22/601281922.db2.gz MORAQVWZXVNCME-UHFFFAOYSA-N -1 0 340.404 3.738 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCC2CCC2)c(OCC(F)(F)F)c1 ZINC000621553980 601282186 /nfs/dbraw/zinc/28/21/86/601282186.db2.gz RDOMMUNXCBJRCY-UHFFFAOYSA-N -1 0 345.317 3.845 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H](C)C2CCCC2)cc1 ZINC000832777720 601283180 /nfs/dbraw/zinc/28/31/80/601283180.db2.gz ZBDAQTYSIPHXGD-WBMJQRKESA-N -1 0 335.469 3.867 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)C/C=C\c1cccc(F)c1)c1ccccc1 ZINC000255029615 601283584 /nfs/dbraw/zinc/28/35/84/601283584.db2.gz ATOXNJUISHBFMW-LZCIBIBXSA-N -1 0 341.382 3.951 20 0 EHADRM C[C@H](C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1)C1CCCC1 ZINC000825977488 601284217 /nfs/dbraw/zinc/28/42/17/601284217.db2.gz IIFWMLAXDDDFHU-LBPRGKRZSA-N -1 0 339.382 3.594 20 0 EHADRM COc1ccccc1-c1cccc(NC(=O)c2ccnc(C(=O)[O-])c2)c1 ZINC000237347056 601285373 /nfs/dbraw/zinc/28/53/73/601285373.db2.gz LXTYJBJWVUKJGJ-UHFFFAOYSA-N -1 0 348.358 3.708 20 0 EHADRM CC(=Cc1ccc(F)cc1)C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000825798255 601286258 /nfs/dbraw/zinc/28/62/58/601286258.db2.gz FJYDNIUHNOJUDP-OUKQBFOZSA-N -1 0 342.370 3.678 20 0 EHADRM CCc1sc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1C ZINC000237104673 601295949 /nfs/dbraw/zinc/29/59/49/601295949.db2.gz IDTNAZIGMFJOKS-BLLLJJGKSA-N -1 0 331.437 3.811 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)CCc1ccc(Cl)cc1)c1ccccc1 ZINC000237607396 601296565 /nfs/dbraw/zinc/29/65/65/601296565.db2.gz BQDMWKCAJCXINV-UGSOOPFHSA-N -1 0 345.826 3.851 20 0 EHADRM Cc1cccc(C)c1NC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000832964770 601309048 /nfs/dbraw/zinc/30/90/48/601309048.db2.gz IXRFBZDEONTCKJ-HNNXBMFYSA-N -1 0 330.359 3.780 20 0 EHADRM CSc1ccc(NC(=O)NCc2ccc(C(=O)[O-])o2)cc1Cl ZINC000832781031 601315847 /nfs/dbraw/zinc/31/58/47/601315847.db2.gz ORRMZRMXFGVUJJ-UHFFFAOYSA-N -1 0 340.788 3.675 20 0 EHADRM CCCc1ccccc1NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000032098381 601322206 /nfs/dbraw/zinc/32/22/06/601322206.db2.gz HVMOINXYAJUOLZ-JLHYYAGUSA-N -1 0 345.420 3.538 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)NC[C@@H]2SCCc3ccccc32)c1 ZINC000833289915 601325937 /nfs/dbraw/zinc/32/59/37/601325937.db2.gz LVUMLRKCSSGFAQ-INIZCTEOSA-N -1 0 342.420 3.537 20 0 EHADRM Cn1c2ccccc2nc1[C@H]1CCCN1Cc1cccc(C(=O)[O-])c1 ZINC000263446247 601338123 /nfs/dbraw/zinc/33/81/23/601338123.db2.gz GAIVAOXIAXYTPE-GOSISDBHSA-N -1 0 335.407 3.609 20 0 EHADRM O=C([O-])c1cccc(OCc2noc(-c3cccc(F)c3Cl)n2)c1 ZINC000833331806 601363842 /nfs/dbraw/zinc/36/38/42/601363842.db2.gz DDTZNBJJLQJDEU-UHFFFAOYSA-N -1 0 348.717 3.806 20 0 EHADRM CC(C)c1nc(-c2nc(COc3cccc(C(=O)[O-])c3)no2)cs1 ZINC000827144621 601366036 /nfs/dbraw/zinc/36/60/36/601366036.db2.gz QBOQDEAWFGZPBD-UHFFFAOYSA-N -1 0 345.380 3.594 20 0 EHADRM C[C@@H](C(=O)N(Cc1ccoc1C(=O)[O-])[C@H](C)c1ccccn1)C1CC1 ZINC000825977397 601370748 /nfs/dbraw/zinc/37/07/48/601370748.db2.gz FXUMEJLXHSQKEC-CHWSQXEVSA-N -1 0 342.395 3.509 20 0 EHADRM C[C@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)[C@@H](C)C1CC1 ZINC000825977399 601370820 /nfs/dbraw/zinc/37/08/20/601370820.db2.gz FXUMEJLXHSQKEC-QWHCGFSZSA-N -1 0 342.395 3.509 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1ccccc1C(=O)NCC(C)C ZINC000830379015 601390101 /nfs/dbraw/zinc/39/01/01/601390101.db2.gz GJJANGVKMKMEJI-UHFFFAOYSA-N -1 0 344.411 3.538 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000769515253 601391943 /nfs/dbraw/zinc/39/19/43/601391943.db2.gz DGFAYZIYQAPWJQ-KSSFIOAISA-N -1 0 341.407 3.810 20 0 EHADRM CCc1oc(C(=O)OC)cc1CNc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000830398039 601392081 /nfs/dbraw/zinc/39/20/81/601392081.db2.gz CVOPIUVJPRHLMO-UHFFFAOYSA-N -1 0 345.395 3.603 20 0 EHADRM O=C([O-])Nc1ccc(N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)cc1 ZINC000833290788 601392099 /nfs/dbraw/zinc/39/20/99/601392099.db2.gz VKAVULRVRRQXFT-OAHLLOKOSA-N -1 0 345.786 3.647 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000263131230 601392533 /nfs/dbraw/zinc/39/25/33/601392533.db2.gz GZMLDWDRHPHGGI-BIMQEMHKSA-N -1 0 341.382 3.507 20 0 EHADRM CC1(C(=O)Nc2ncc(Cc3cccc(C(=O)[O-])c3)s2)CCC1 ZINC000827975652 601398184 /nfs/dbraw/zinc/39/81/84/601398184.db2.gz AGVWPFOFZKJKBA-UHFFFAOYSA-N -1 0 330.409 3.561 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CC1CCCCCC1)c1cc(F)ccc1F ZINC000776618242 601399123 /nfs/dbraw/zinc/39/91/23/601399123.db2.gz YCRKPVFVVLIOCE-INIZCTEOSA-N -1 0 325.355 3.567 20 0 EHADRM Cc1nc(Cl)sc1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000833000414 601402658 /nfs/dbraw/zinc/40/26/58/601402658.db2.gz HHRBUVVHLZUZSE-UHFFFAOYSA-N -1 0 331.180 3.709 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000828757930 601404610 /nfs/dbraw/zinc/40/46/10/601404610.db2.gz FCGCLEBOEPOAQD-CXAGYDPISA-N -1 0 339.391 3.693 20 0 EHADRM COc1ccc(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000832404174 601408482 /nfs/dbraw/zinc/40/84/82/601408482.db2.gz MJWDFGQNHLBXJD-HNNXBMFYSA-N -1 0 348.786 3.686 20 0 EHADRM CCc1oc(C(=O)[O-])cc1C[N@H+](C)[C@@H]1CCCc2nc(C)sc21 ZINC000571172329 601418106 /nfs/dbraw/zinc/41/81/06/601418106.db2.gz VZLDADTUCZHTQO-CYBMUJFWSA-N -1 0 334.441 3.815 20 0 EHADRM CC[C@H](NC(=O)NCC1(C(=O)[O-])CCCC1)c1ccc(Cl)s1 ZINC000828951770 601420423 /nfs/dbraw/zinc/42/04/23/601420423.db2.gz REAFSSUYWQYGDO-JTQLQIEISA-N -1 0 344.864 3.797 20 0 EHADRM O=C([O-])CC1(NC(=O)/C=C\c2cccc(OC3CCCC3)c2)CCC1 ZINC000767067651 601438240 /nfs/dbraw/zinc/43/82/40/601438240.db2.gz DUZXZKQRSKGMAS-KTKRTIGZSA-N -1 0 343.423 3.535 20 0 EHADRM Cc1nc(NC(=O)[C@H](C)c2ccc(Cl)s2)sc1C(=O)[O-] ZINC000833002469 601441179 /nfs/dbraw/zinc/44/11/79/601441179.db2.gz AAZHLMAFDQYRRV-RXMQYKEDSA-N -1 0 330.818 3.607 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000832220914 601446330 /nfs/dbraw/zinc/44/63/30/601446330.db2.gz MDWAJEFTHDEGQP-JTQLQIEISA-N -1 0 349.333 3.804 20 0 EHADRM CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000829020863 601450027 /nfs/dbraw/zinc/45/00/27/601450027.db2.gz MCKYICZVLUPEDP-HNNXBMFYSA-N -1 0 346.358 3.736 20 0 EHADRM C[C@@H](C(=O)Nc1cccc(C(=O)[O-])c1O)c1ccc(Cl)s1 ZINC000826021511 601453362 /nfs/dbraw/zinc/45/33/62/601453362.db2.gz ROUICQVFNCBAHP-SSDOTTSWSA-N -1 0 325.773 3.548 20 0 EHADRM C[C@H](C(=O)Nc1cccc(C(=O)[O-])c1O)c1ccc(Cl)s1 ZINC000826021515 601453389 /nfs/dbraw/zinc/45/33/89/601453389.db2.gz ROUICQVFNCBAHP-ZETCQYMHSA-N -1 0 325.773 3.548 20 0 EHADRM C[C@@H](OC(=O)C1(c2ccc(Cl)cc2)CC1)c1ccc(C(=O)[O-])o1 ZINC000827819245 601458214 /nfs/dbraw/zinc/45/82/14/601458214.db2.gz YMKISVGCHMLHEE-SNVBAGLBSA-N -1 0 334.755 3.967 20 0 EHADRM C[C@H](OC(=O)C1(c2ccc(F)cc2)CCC1)c1ccc(C(=O)[O-])o1 ZINC000827816982 601459064 /nfs/dbraw/zinc/45/90/64/601459064.db2.gz FRIDLAVCHLMDBV-NSHDSACASA-N -1 0 332.327 3.843 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000830384342 601459389 /nfs/dbraw/zinc/45/93/89/601459389.db2.gz OREQVRUTGYHLJI-KBPBESRZSA-N -1 0 332.327 3.526 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000830384408 601461993 /nfs/dbraw/zinc/46/19/93/601461993.db2.gz QNYUQOPUMNRVDP-KOLCDFICSA-N -1 0 348.317 3.952 20 0 EHADRM Cc1cc(C)cc(C2(C(=O)O[C@H](C)c3ccc(C(=O)[O-])o3)CC2)c1 ZINC000832876813 601463655 /nfs/dbraw/zinc/46/36/55/601463655.db2.gz PECFVPMCUNJIHZ-CYBMUJFWSA-N -1 0 328.364 3.931 20 0 EHADRM CSc1ccc(C)c(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])c1 ZINC000261906647 601471038 /nfs/dbraw/zinc/47/10/38/601471038.db2.gz PPGFKTKIIAMXMH-QGZVFWFLSA-N -1 0 341.432 3.541 20 0 EHADRM COc1ccc([C@H](C)CC(=O)OCc2cc(C(=O)[O-])oc2C)cc1 ZINC000832220896 601474384 /nfs/dbraw/zinc/47/43/84/601474384.db2.gz KVCJLNPRXZFFIS-LLVKDONJSA-N -1 0 332.352 3.532 20 0 EHADRM CCS[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000830157942 601479569 /nfs/dbraw/zinc/47/95/69/601479569.db2.gz OUDVRMLVNOIZDO-KGLIPLIRSA-N -1 0 340.420 3.710 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)O[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000832527811 601483716 /nfs/dbraw/zinc/48/37/16/601483716.db2.gz AVOWHAKWFMEUFF-SCLBCKFNSA-N -1 0 328.364 3.558 20 0 EHADRM COc1cccc([C@H](C)CC(=O)O[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000832528981 601484991 /nfs/dbraw/zinc/48/49/91/601484991.db2.gz TZWPNOFFQFNIKZ-KZULUSFZSA-N -1 0 346.354 3.697 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000262202545 601501467 /nfs/dbraw/zinc/50/14/67/601501467.db2.gz UUIQISWDNIFIFJ-HNNXBMFYSA-N -1 0 349.858 3.622 20 0 EHADRM C[C@@H]1CC/C(=C\C(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)C1 ZINC000828207187 601502123 /nfs/dbraw/zinc/50/21/23/601502123.db2.gz IXEBQFUAMPNVHA-RAJVOEEQSA-N -1 0 331.397 3.521 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000767070910 601521697 /nfs/dbraw/zinc/52/16/97/601521697.db2.gz BDXRIQHOZLEGQG-XPTSAGLGSA-N -1 0 344.238 3.542 20 0 EHADRM C[C@H](CC(=O)N[C@@H](CC(=O)[O-])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000767075253 601533417 /nfs/dbraw/zinc/53/34/17/601533417.db2.gz WFDSASMBAITAJT-YGRLFVJLSA-N -1 0 343.345 3.569 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1Cc1cc(Cl)nc(Cl)c1 ZINC000833195511 601543104 /nfs/dbraw/zinc/54/31/04/601543104.db2.gz HLDXTIAMZGRQCL-OAHLLOKOSA-N -1 0 337.206 3.572 20 0 EHADRM CN(C(=O)NCCc1ccc(NC(=O)[O-])cc1)C1CCC(C)(C)CC1 ZINC000830500495 601546097 /nfs/dbraw/zinc/54/60/97/601546097.db2.gz ROSKUHLJWPKGLU-UHFFFAOYSA-N -1 0 347.459 3.929 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)Sc1cccc(F)c1 ZINC000832915870 601546673 /nfs/dbraw/zinc/54/66/73/601546673.db2.gz LLOXVEPEXISLNZ-NSHDSACASA-N -1 0 333.384 3.952 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)Nc2cccc(CCC(F)(F)F)c2)C1 ZINC000263029294 601553155 /nfs/dbraw/zinc/55/31/55/601553155.db2.gz KHFCHMWRRUOHFJ-GFCCVEGCSA-N -1 0 344.333 3.510 20 0 EHADRM C/C(=C/C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccccc1 ZINC000776650956 601585179 /nfs/dbraw/zinc/58/51/79/601585179.db2.gz PQCRWNHZEKVYKE-CPFIRTDXSA-N -1 0 329.783 3.685 20 0 EHADRM CSc1ccsc1C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000832790793 601586850 /nfs/dbraw/zinc/58/68/50/601586850.db2.gz ULAJXCZTBAZSCR-LLVKDONJSA-N -1 0 341.841 3.679 20 0 EHADRM O=Cc1cc(C(=O)OCc2c3ccccc3sc2C(=O)[O-])cs1 ZINC000833358463 601591405 /nfs/dbraw/zinc/59/14/05/601591405.db2.gz CIGSKBZEJPMTAD-UHFFFAOYSA-N -1 0 346.385 3.831 20 0 EHADRM Cc1nc(Cl)sc1C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000833001280 601592022 /nfs/dbraw/zinc/59/20/22/601592022.db2.gz YMGJPROPLVMAJL-UHFFFAOYSA-N -1 0 331.180 3.709 20 0 EHADRM Cc1cc2nc(NC(=O)CCc3ccc(C(=O)[O-])cc3)oc2c(C)c1 ZINC000832874495 601593236 /nfs/dbraw/zinc/59/32/36/601593236.db2.gz IJYYPBJBAYNSPA-UHFFFAOYSA-N -1 0 338.363 3.714 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N(Cc2ccccc2)CC(F)F)c1 ZINC000833330671 601603935 /nfs/dbraw/zinc/60/39/35/601603935.db2.gz ZYFKMHVFGKWRCM-UHFFFAOYSA-N -1 0 334.322 3.684 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)Nc3ccccc3CC(=O)[O-])cc2C1 ZINC000237551335 601613458 /nfs/dbraw/zinc/61/34/58/601613458.db2.gz SNOCTJKRPOUXOQ-LLVKDONJSA-N -1 0 329.421 3.752 20 0 EHADRM Cc1cccc2c(CCC(=O)Nc3ccccc3CC(=O)[O-])c[nH]c21 ZINC000362692962 601613604 /nfs/dbraw/zinc/61/36/04/601613604.db2.gz MCWVXVGHFYIOII-UHFFFAOYSA-N -1 0 336.391 3.675 20 0 EHADRM Cc1cc(C)cc(NC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000832878236 601614459 /nfs/dbraw/zinc/61/44/59/601614459.db2.gz AFGJFZCCTPBZAY-RHSMWYFYSA-N -1 0 326.396 3.887 20 0 EHADRM Cc1ccc(F)cc1NC(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832934034 601614634 /nfs/dbraw/zinc/61/46/34/601614634.db2.gz HKWYSDAIPSFYSP-BLLLJJGKSA-N -1 0 330.359 3.718 20 0 EHADRM COc1ccc(C)cc1NC(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832266336 601615380 /nfs/dbraw/zinc/61/53/80/601615380.db2.gz YXFMRTPDHICOPB-DYVFJYSZSA-N -1 0 342.395 3.587 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)Nc1ccccc1-c1cccs1)C1CC1 ZINC000833198900 601616473 /nfs/dbraw/zinc/61/64/73/601616473.db2.gz MLPVNQJAGUUXKH-CQSZACIVSA-N -1 0 330.409 3.790 20 0 EHADRM O=C([O-])C[C@H](NC(=O)/C=C/c1cccs1)c1ccc(Cl)cc1 ZINC000013175872 601620244 /nfs/dbraw/zinc/62/02/44/601620244.db2.gz ZBROKHVZAOIFPQ-NPQIQWPPSA-N -1 0 335.812 3.747 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(OC2CCCC2)c(Cl)c1)C(=O)[O-] ZINC000653536625 601620754 /nfs/dbraw/zinc/62/07/54/601620754.db2.gz CDVLMWNVXRCXGH-JTQLQIEISA-N -1 0 340.807 3.504 20 0 EHADRM O=C([O-])C[C@H](NC(=O)/C=C\c1ccccc1F)c1ccc(Cl)cc1 ZINC000776667307 601621656 /nfs/dbraw/zinc/62/16/56/601621656.db2.gz YAFFGSYZSVCLCE-BJIFSAINSA-N -1 0 347.773 3.825 20 0 EHADRM C[C@H](CNC(=O)Nc1ccccc1O[C@@H](C)c1ccccc1)C(=O)[O-] ZINC000653539167 601624870 /nfs/dbraw/zinc/62/48/70/601624870.db2.gz UZCRDMIEWPSBRG-KGLIPLIRSA-N -1 0 342.395 3.669 20 0 EHADRM COc1ccc(-c2cnc(COc3ccc(CC(=O)[O-])cc3)o2)cc1 ZINC000832123916 601628698 /nfs/dbraw/zinc/62/86/98/601628698.db2.gz CVUXYNWICPPNLT-UHFFFAOYSA-N -1 0 339.347 3.556 20 0 EHADRM CCOC(=O)Nc1ccc(OCc2cc(C(=O)[O-])sc2C)cc1 ZINC000829866511 601635391 /nfs/dbraw/zinc/63/53/91/601635391.db2.gz ZIEBDMWDTJIQNZ-UHFFFAOYSA-N -1 0 335.381 3.902 20 0 EHADRM COc1ccc(Cn2cc(C(=O)[O-])nc2C)cc1SC(F)(F)F ZINC000832374011 601638386 /nfs/dbraw/zinc/63/83/86/601638386.db2.gz RURVKPKCZAWZIW-UHFFFAOYSA-N -1 0 346.330 3.559 20 0 EHADRM C=Cc1cc(OC)c(OCc2ccc(C(=O)[O-])c(F)c2)c(OC)c1 ZINC000825710906 601640319 /nfs/dbraw/zinc/64/03/19/601640319.db2.gz GXIUYBSUYQWBNJ-UHFFFAOYSA-N -1 0 332.327 3.763 20 0 EHADRM O=C([O-])C1(NC(=O)CCCc2ccc(F)c(F)c2)CCCCCC1 ZINC000431975165 601647681 /nfs/dbraw/zinc/64/76/81/601647681.db2.gz VYYDBJROWFUDNE-UHFFFAOYSA-N -1 0 339.382 3.581 20 0 EHADRM COC[C@H](C)CC(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C1CC1 ZINC000831643326 601655860 /nfs/dbraw/zinc/65/58/60/601655860.db2.gz GTMNHWJXANPVDC-LLVKDONJSA-N -1 0 345.395 3.561 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N[C@@H](C2CCCC2)C(F)(F)F)cc1 ZINC000192987793 601664800 /nfs/dbraw/zinc/66/48/00/601664800.db2.gz PZVMMANWEIGPRM-HNNXBMFYSA-N -1 0 343.345 3.555 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)CCCc2csc3ccccc23)C1 ZINC000128538314 601673487 /nfs/dbraw/zinc/67/34/87/601673487.db2.gz GQDUYNPFACEJOB-CYBMUJFWSA-N -1 0 331.437 3.547 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)[C@@H]2C[C@H]2Cc2ccccc2)ccc1F ZINC000833284222 601674586 /nfs/dbraw/zinc/67/45/86/601674586.db2.gz RELBSUFQYDFJSZ-TZMCWYRMSA-N -1 0 328.343 3.733 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)CCCc1ccc(F)c(F)c1)C2 ZINC000621558157 601675994 /nfs/dbraw/zinc/67/59/94/601675994.db2.gz YYIWZGHWZSXZHY-UHFFFAOYSA-N -1 0 345.345 3.528 20 0 EHADRM CC(C)C[C@@H](C)OCCC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000262538784 601681098 /nfs/dbraw/zinc/68/10/98/601681098.db2.gz UQZXIOIDLFCPSH-CQSZACIVSA-N -1 0 335.444 3.829 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CCCc1csc2ccccc12 ZINC000236991086 601684317 /nfs/dbraw/zinc/68/43/17/601684317.db2.gz ZQENMYTVTMGFLD-SFHVURJKSA-N -1 0 333.453 3.984 20 0 EHADRM CC[C@H](C)c1ccc(C(=O)N(CCC(=O)[O-])Cc2ccncc2)cc1 ZINC000828764795 601685982 /nfs/dbraw/zinc/68/59/82/601685982.db2.gz NOXCAUYNAAMIBC-HNNXBMFYSA-N -1 0 340.423 3.712 20 0 EHADRM C[C@H]1CN(C(=O)c2ccccc2Sc2ccccc2)C[C@H]1C(=O)[O-] ZINC000828401293 601693795 /nfs/dbraw/zinc/69/37/95/601693795.db2.gz FPHGOHKKLVBUQZ-XJKSGUPXSA-N -1 0 341.432 3.631 20 0 EHADRM CC[C@@H](C)Oc1ccc(NC(=O)NCC2(C(=O)[O-])CCCC2)cc1 ZINC000828764358 601700587 /nfs/dbraw/zinc/70/05/87/601700587.db2.gz IOCMDAYENQUUPC-CYBMUJFWSA-N -1 0 334.416 3.630 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2CCC(F)(F)F)cn1 ZINC000238059872 601701619 /nfs/dbraw/zinc/70/16/19/601701619.db2.gz DUDZYCSOIDAZCV-UHFFFAOYSA-N -1 0 338.285 3.527 20 0 EHADRM C[C@@H]1CN(C(=O)CC2CCC(c3ccccc3)CC2)C[C@H]1C(=O)[O-] ZINC000262934268 601702338 /nfs/dbraw/zinc/70/23/38/601702338.db2.gz PFUHSVQODYXGHP-VSVYTNTFSA-N -1 0 329.440 3.530 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)Nc2ccc(CC(=O)[O-])cc2)ccc1F ZINC000832870255 601702406 /nfs/dbraw/zinc/70/24/06/601702406.db2.gz FPJYPYZEQLFEBK-GFCCVEGCSA-N -1 0 330.359 3.644 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccc(F)cc1F ZINC000736649277 601717996 /nfs/dbraw/zinc/71/79/96/601717996.db2.gz QKQJRANBLCVBTQ-QMMMGPOBSA-N -1 0 338.285 3.685 20 0 EHADRM CC(C)(NC(=O)Nc1cccc(CSCCC(=O)[O-])c1)C1CC1 ZINC000826621322 601718245 /nfs/dbraw/zinc/71/82/45/601718245.db2.gz LHCSBUHJIAFUIH-UHFFFAOYSA-N -1 0 336.457 3.705 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1cnc(C(C)(C)C)s1 ZINC000833031657 601725113 /nfs/dbraw/zinc/72/51/13/601725113.db2.gz RGFKRNHPBMJEEU-UHFFFAOYSA-N -1 0 339.438 3.866 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1csc(CC(C)C)n1 ZINC000833030794 601726189 /nfs/dbraw/zinc/72/61/89/601726189.db2.gz BWUZXHSBDRIRSG-UHFFFAOYSA-N -1 0 339.438 3.767 20 0 EHADRM CCc1[nH]c(C(=O)N2C[C@H](C)Sc3ccccc32)c(C)c1C(=O)[O-] ZINC000830184169 601726550 /nfs/dbraw/zinc/72/65/50/601726550.db2.gz VBAQDZCTUFLDST-JTQLQIEISA-N -1 0 344.436 3.725 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](C)c2ccc(F)cc2F)cc1C(=O)[O-] ZINC000832946245 601731668 /nfs/dbraw/zinc/73/16/68/601731668.db2.gz DIPCTLWPMMPDEB-JTQLQIEISA-N -1 0 334.322 3.854 20 0 EHADRM Cc1c2ccccc2oc1C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC000325254364 601742981 /nfs/dbraw/zinc/74/29/81/601742981.db2.gz HTPXZSHYCHMWRS-UHFFFAOYSA-N -1 0 344.392 3.857 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC000678986349 601743612 /nfs/dbraw/zinc/74/36/12/601743612.db2.gz GHWRJYFPIRGQGV-OAHLLOKOSA-N -1 0 341.338 3.744 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1[nH]c2ccccc2c1Cl)c1ccccc1F ZINC000678986768 601745293 /nfs/dbraw/zinc/74/52/93/601745293.db2.gz NURNHCHLEGTFND-AWEZNQCLSA-N -1 0 346.745 3.516 20 0 EHADRM Cc1cccc2c(CCC(=O)N[C@H](C(=O)[O-])C3CCCCC3)c[nH]c21 ZINC000832975536 601751851 /nfs/dbraw/zinc/75/18/51/601751851.db2.gz CAIJUXKFYJXFFR-IBGZPJMESA-N -1 0 342.439 3.559 20 0 EHADRM CSc1cc(C)ccc1CNC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000832774674 601754312 /nfs/dbraw/zinc/75/43/12/601754312.db2.gz WZPXZAXYTFVINO-UHFFFAOYSA-N -1 0 344.436 3.666 20 0 EHADRM CC[C@@H](NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC000236955839 601754516 /nfs/dbraw/zinc/75/45/16/601754516.db2.gz YAEKVWHXSOBTLO-QSYFUGGGSA-N -1 0 333.384 3.547 20 0 EHADRM Cc1ccc(Nc2ccccc2C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000570388824 601757791 /nfs/dbraw/zinc/75/77/91/601757791.db2.gz JDZMKJFPEGFFEU-RHSMWYFYSA-N -1 0 338.407 3.531 20 0 EHADRM Cc1cccc(C(NC(=O)NCCCC(=O)[O-])c2cccc(C)c2)c1 ZINC000263181976 601762005 /nfs/dbraw/zinc/76/20/05/601762005.db2.gz FJXUHLKXTQHMAY-UHFFFAOYSA-N -1 0 340.423 3.557 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3)cc2)C[C@H]1C(=O)[O-] ZINC000327546289 601769702 /nfs/dbraw/zinc/76/97/02/601769702.db2.gz CXWUBRUQPQEVQY-CXAGYDPISA-N -1 0 340.379 3.663 20 0 EHADRM CN(C(=O)Nc1cccc(OCC(=O)[O-])c1)C1CCC(C)(C)CC1 ZINC000391760663 601779555 /nfs/dbraw/zinc/77/95/55/601779555.db2.gz HHWKUTDNSHQNEH-UHFFFAOYSA-N -1 0 334.416 3.583 20 0 EHADRM Cc1nn(Cc2nc(-c3ccccc3)oc2C)c(C)c1[C@@H](C)C(=O)[O-] ZINC000833021314 601779695 /nfs/dbraw/zinc/77/96/95/601779695.db2.gz IVWFTCNSVFJEQO-LLVKDONJSA-N -1 0 339.395 3.700 20 0 EHADRM CN(C)C(=O)Sc1ccc(COc2ccc(CC(=O)[O-])cc2)cc1 ZINC000830568967 601786610 /nfs/dbraw/zinc/78/66/10/601786610.db2.gz CCBUZMKYGFDKHU-UHFFFAOYSA-N -1 0 345.420 3.666 20 0 EHADRM CN(C)C(=O)Sc1ccc(CNc2cc(C(=O)[O-])ccc2F)cc1 ZINC000830564331 601787201 /nfs/dbraw/zinc/78/72/01/601787201.db2.gz ZIPGUQHKQGXVMV-UHFFFAOYSA-N -1 0 348.399 3.910 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)N3C[C@@H](C)[C@H](C(=O)[O-])C3)cc2s1 ZINC000827153625 601789643 /nfs/dbraw/zinc/78/96/43/601789643.db2.gz VESURTHLZOUQKA-ZYHUDNBSSA-N -1 0 347.440 3.604 20 0 EHADRM Cc1nc(NC(=O)c2cc3cccc(Cl)c3o2)sc1C(=O)[O-] ZINC000833002012 601800672 /nfs/dbraw/zinc/80/06/72/601800672.db2.gz IHHLDBPAMVTGCR-UHFFFAOYSA-N -1 0 336.756 3.802 20 0 EHADRM Cc1cc(CCCC(=O)Nc2ccc(OCC(=O)[O-])cc2)c(C)s1 ZINC000262566085 601801716 /nfs/dbraw/zinc/80/17/16/601801716.db2.gz LJZNCQUXSGTLDQ-UHFFFAOYSA-N -1 0 347.436 3.790 20 0 EHADRM Cc1cc(CCCC(=O)N[C@@H](C(=O)[O-])c2cccs2)c(C)s1 ZINC000448998900 601802240 /nfs/dbraw/zinc/80/22/40/601802240.db2.gz WNCCNFSYLSDMSP-OAHLLOKOSA-N -1 0 337.466 3.691 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2cccc(Cl)c2o1)c1cccs1 ZINC000833126900 601802673 /nfs/dbraw/zinc/80/26/73/601802673.db2.gz RLIWTENHQJSJQN-LBPRGKRZSA-N -1 0 335.768 3.703 20 0 EHADRM CN(C)c1cccc(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])c1 ZINC000830644152 601806835 /nfs/dbraw/zinc/80/68/35/601806835.db2.gz SNYORXIPJKWCBD-UHFFFAOYSA-N -1 0 330.409 3.642 20 0 EHADRM C[C@H]1C[C@H](CCSCc2noc(CCC(=O)[O-])n2)C[C@@H](C)C1 ZINC000828159980 601813009 /nfs/dbraw/zinc/81/30/09/601813009.db2.gz DMGXCBLCFFJCFY-ITGUQSILSA-N -1 0 326.462 3.782 20 0 EHADRM C[C@@H](SCc1ccc(C(=O)[O-])c(F)c1)C(=O)N1CCCCCC1 ZINC000827909502 601814040 /nfs/dbraw/zinc/81/40/40/601814040.db2.gz XZGKGZYXAVFYRE-GFCCVEGCSA-N -1 0 339.432 3.548 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)C[C@H]2CCCc3ccccc32)CC1 ZINC000537483060 601819630 /nfs/dbraw/zinc/81/96/30/601819630.db2.gz XOTSBWSFBWYPPF-QGZVFWFLSA-N -1 0 329.440 3.600 20 0 EHADRM Cc1cccc(C2(C(=O)N3CCC(CCC(=O)[O-])CC3)CCC2)c1 ZINC000324492266 601819771 /nfs/dbraw/zinc/81/97/71/601819771.db2.gz LVGDFTOCHLUBEO-UHFFFAOYSA-N -1 0 329.440 3.520 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000539686720 601822228 /nfs/dbraw/zinc/82/22/28/601822228.db2.gz GINJJHJCFCZARQ-MRXNPFEDSA-N -1 0 335.469 3.661 20 0 EHADRM CCC[C@@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccccc1 ZINC000659393167 601823299 /nfs/dbraw/zinc/82/32/99/601823299.db2.gz UJIGEJOWLKJDBM-QGZVFWFLSA-N -1 0 332.444 3.814 20 0 EHADRM CCc1ccc([C@@H](C)NC(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000659393247 601823369 /nfs/dbraw/zinc/82/33/69/601823369.db2.gz WMECOOUYEMDIPD-CQSZACIVSA-N -1 0 332.444 3.596 20 0 EHADRM Cc1ccc(CCCNC(=O)N2CCC(CCC(=O)[O-])CC2)c(C)c1 ZINC000659392537 601823732 /nfs/dbraw/zinc/82/37/32/601823732.db2.gz HOZVGTRRUUDNDM-UHFFFAOYSA-N -1 0 346.471 3.522 20 0 EHADRM C[C@@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccc(Cl)s1 ZINC000315934466 601824264 /nfs/dbraw/zinc/82/42/64/601824264.db2.gz QAAXRKHPFGTIAC-SNVBAGLBSA-N -1 0 344.864 3.749 20 0 EHADRM Cc1cc(C)cc([C@@H](C)NC(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC000659397191 601826861 /nfs/dbraw/zinc/82/68/61/601826861.db2.gz VHTZQYGVJLDUIF-OAHLLOKOSA-N -1 0 332.444 3.651 20 0 EHADRM COc1cccc(Br)c1OCc1cc(C)c(C(=O)[O-])o1 ZINC000161530953 601827177 /nfs/dbraw/zinc/82/71/77/601827177.db2.gz KZSVHAGYKKMGGI-UHFFFAOYSA-N -1 0 341.157 3.636 20 0 EHADRM Cc1nc2sc3c(c2c(N2CCC(CCC(=O)[O-])CC2)n1)CCC3 ZINC000574404196 601829799 /nfs/dbraw/zinc/82/97/99/601829799.db2.gz POZYHQBRFHCNMZ-UHFFFAOYSA-N -1 0 345.468 3.570 20 0 EHADRM Cc1ccc(N2CC[C@H](SCc3ccc(C(=O)[O-])s3)C2=O)cc1 ZINC000832936358 601847096 /nfs/dbraw/zinc/84/70/96/601847096.db2.gz FFBRGNNKJPPBQG-AWEZNQCLSA-N -1 0 347.461 3.793 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)NCc2cccc(C(=O)[O-])c2)c(C)c1 ZINC000666520324 601853975 /nfs/dbraw/zinc/85/39/75/601853975.db2.gz XMFNOLQDQCVWQJ-CQSZACIVSA-N -1 0 326.396 3.562 20 0 EHADRM C[C@H](CSCc1cc(Br)cc2cccnc21)C(=O)[O-] ZINC000827575016 601863855 /nfs/dbraw/zinc/86/38/55/601863855.db2.gz IRMWQZDBPVEINH-SECBINFHSA-N -1 0 340.242 3.951 20 0 EHADRM Cc1noc(C(C)C)c1C(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC000833020374 601872177 /nfs/dbraw/zinc/87/21/77/601872177.db2.gz CNRMPNQKODSVGT-UHFFFAOYSA-N -1 0 335.381 3.502 20 0 EHADRM Cc1ccc2oc(C(=O)Oc3ccc(SCC(=O)[O-])cc3)cc2n1 ZINC000832959426 601875462 /nfs/dbraw/zinc/87/54/62/601875462.db2.gz GGGWGKDOJXVWFF-UHFFFAOYSA-N -1 0 343.360 3.532 20 0 EHADRM CC[C@H](S[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000829020616 601896651 /nfs/dbraw/zinc/89/66/51/601896651.db2.gz IABKVOUDYALHCW-CJNGLKHVSA-N -1 0 335.469 3.583 20 0 EHADRM CSCc1ccc(C(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])cc1 ZINC000537410696 601908423 /nfs/dbraw/zinc/90/84/23/601908423.db2.gz IGRLEYFMMLDZKQ-HOTGVXAUSA-N -1 0 335.469 3.703 20 0 EHADRM COc1ccc(CCCC(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])cc1 ZINC000262180014 601912707 /nfs/dbraw/zinc/91/27/07/601912707.db2.gz OPVJGQYOXOJJEJ-ROUUACIJSA-N -1 0 347.455 3.558 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000237389405 601920426 /nfs/dbraw/zinc/92/04/26/601920426.db2.gz KNFBVDLEKIBJLC-LLVKDONJSA-N -1 0 349.839 3.835 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2cc3cccc(Cl)c3o2)c1 ZINC000776208914 601921101 /nfs/dbraw/zinc/92/11/01/601921101.db2.gz KFVWAKGHLKUEDR-UHFFFAOYSA-N -1 0 329.739 3.714 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)CCc2ccc(-c3ccccc3)[nH]2)c1 ZINC000486191183 601923103 /nfs/dbraw/zinc/92/31/03/601923103.db2.gz PFEADFAULZBPHB-UHFFFAOYSA-N -1 0 348.402 3.629 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)C2(c3ccc(F)cc3)CCCC2)c1 ZINC000238213743 601923294 /nfs/dbraw/zinc/92/32/94/601923294.db2.gz SNKVMGKTADZJLP-UHFFFAOYSA-N -1 0 341.382 3.652 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)CCSc2ccc(Cl)cc2)c1 ZINC000238134103 601926050 /nfs/dbraw/zinc/92/60/50/601926050.db2.gz ZIZBLHLEXRVBQZ-UHFFFAOYSA-N -1 0 349.839 3.837 20 0 EHADRM CCCn1ccc2cc(NC(=O)C3CCC(NC(=O)[O-])CC3)ccc21 ZINC000739379199 601941654 /nfs/dbraw/zinc/94/16/54/601941654.db2.gz ZSPITNFXFJKMHJ-UHFFFAOYSA-N -1 0 343.427 3.816 20 0 EHADRM O=C([O-])c1ccc(CN[C@H](c2nccs2)c2ccccc2)s1 ZINC000833315115 601949126 /nfs/dbraw/zinc/94/91/26/601949126.db2.gz SWYRVJJLKFZEON-AWEZNQCLSA-N -1 0 330.434 3.782 20 0 EHADRM O=C([O-])c1ccc(CN2CCO[C@H](c3ccccc3Cl)C2)s1 ZINC000568061597 601949154 /nfs/dbraw/zinc/94/91/54/601949154.db2.gz LLJKKZXGRSJANT-AWEZNQCLSA-N -1 0 337.828 3.673 20 0 EHADRM CCc1ccc2c(CNc3cccc(CC(=O)[O-])c3)cc(=O)oc2c1 ZINC000737906974 601965722 /nfs/dbraw/zinc/96/57/22/601965722.db2.gz ATLXQZLBOKWFDT-UHFFFAOYSA-N -1 0 337.375 3.595 20 0 EHADRM O=C([O-])Cc1cccc(NCc2ncc(-c3ccc(F)cc3)o2)c1 ZINC000738630306 601967596 /nfs/dbraw/zinc/96/75/96/601967596.db2.gz LHZNSPNZPWGYTO-UHFFFAOYSA-N -1 0 326.327 3.720 20 0 EHADRM CCO[C@@H]1C[C@H](N(C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C12CCC2 ZINC000829917055 601983178 /nfs/dbraw/zinc/98/31/78/601983178.db2.gz ARMMDEFHZHJSAA-JKSUJKDBSA-N -1 0 346.427 3.505 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000827456482 601991736 /nfs/dbraw/zinc/99/17/36/601991736.db2.gz XJMIISPREYQNJE-LBPRGKRZSA-N -1 0 349.789 3.842 20 0 EHADRM Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2ccc(NC(=O)[O-])nc2)c1 ZINC000740131203 601992488 /nfs/dbraw/zinc/99/24/88/601992488.db2.gz BJTTWCJUZRZYFS-SNVBAGLBSA-N -1 0 349.774 3.539 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cn1 ZINC000740711782 601995952 /nfs/dbraw/zinc/99/59/52/601995952.db2.gz CVVUOIUAAGEGPV-UHFFFAOYSA-N -1 0 331.715 3.823 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)CSc2ccc(Cl)cc2)cn1 ZINC000740709665 601998388 /nfs/dbraw/zinc/99/83/88/601998388.db2.gz QNUTXDNABHGZEU-UHFFFAOYSA-N -1 0 337.788 3.556 20 0 EHADRM CCn1c(C)cc(C(=O)Oc2ccc(SCC(=O)[O-])cc2)c1C ZINC000830411098 601999687 /nfs/dbraw/zinc/99/96/87/601999687.db2.gz BADIKLYSWKYTCR-UHFFFAOYSA-N -1 0 333.409 3.521 20 0 EHADRM CCc1ccc(C(=O)CCC(=O)OCc2ccc(C(=O)[O-])s2)cc1 ZINC000830232180 602000437 /nfs/dbraw/zinc/00/04/37/602000437.db2.gz DOUWPSBLVLZJOA-UHFFFAOYSA-N -1 0 346.404 3.715 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CCC3(CC3)CC2)cc(C(F)(F)F)c1 ZINC000833281676 602008222 /nfs/dbraw/zinc/00/82/22/602008222.db2.gz LWMUTXAYFAHJKG-UHFFFAOYSA-N -1 0 342.317 3.812 20 0 EHADRM CO[C@H](CNc1nc(Cl)c(C(=O)[O-])s1)c1ccccc1Cl ZINC000831526700 602012898 /nfs/dbraw/zinc/01/28/98/602012898.db2.gz LGXOBRNJWICVQE-SECBINFHSA-N -1 0 347.223 3.948 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2cc(NC(=O)[O-])ccc2F)cc1 ZINC000740105310 602027039 /nfs/dbraw/zinc/02/70/39/602027039.db2.gz YOWABBXPNRUPSL-UHFFFAOYSA-N -1 0 344.342 3.826 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OC(=O)COC/C=C/c1ccccc1 ZINC000833113992 602031949 /nfs/dbraw/zinc/03/19/49/602031949.db2.gz BQDWEFWWHUSTIR-QPJJXVBHSA-N -1 0 346.766 3.674 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OC(=O)COC/C=C\c1ccccc1 ZINC000833113991 602032065 /nfs/dbraw/zinc/03/20/65/602032065.db2.gz BQDWEFWWHUSTIR-DAXSKMNVSA-N -1 0 346.766 3.674 20 0 EHADRM CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000830150748 602033095 /nfs/dbraw/zinc/03/30/95/602033095.db2.gz QLUPSXIEARIHRY-NWDGAFQWSA-N -1 0 340.420 3.662 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)Nc1cc(F)c(F)cc1F ZINC000833152982 602039404 /nfs/dbraw/zinc/03/94/04/602039404.db2.gz IEUVBCXKEYLSDQ-NOZJJQNGSA-N -1 0 344.333 3.649 20 0 EHADRM Cc1cc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)c(Cl)cc1F ZINC000832861374 602052176 /nfs/dbraw/zinc/05/21/76/602052176.db2.gz FHQLGQYZMNQMOB-UHFFFAOYSA-N -1 0 333.746 3.689 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)c1cc(-c2cccs2)on1 ZINC000833132239 602055627 /nfs/dbraw/zinc/05/56/27/602055627.db2.gz YWNXVVDHERMLKH-RYUDHWBXSA-N -1 0 348.424 3.557 20 0 EHADRM CCCOc1ccc(CCC(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000236798236 602065601 /nfs/dbraw/zinc/06/56/01/602065601.db2.gz XYGMGBBLENRFHW-UHFFFAOYSA-N -1 0 341.407 3.674 20 0 EHADRM Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000236730600 602066936 /nfs/dbraw/zinc/06/69/36/602066936.db2.gz BBQBWIUNAXOGQD-UHFFFAOYSA-N -1 0 341.407 3.763 20 0 EHADRM Cc1ccc(-c2cncc(C(=O)Nc3cccc(CC(=O)[O-])c3)c2)cc1 ZINC000533197311 602071260 /nfs/dbraw/zinc/07/12/60/602071260.db2.gz HACIKEDCMGYFAR-UHFFFAOYSA-N -1 0 346.386 3.936 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2cc3c(s2)CCCCC3)c1 ZINC000238128373 602071586 /nfs/dbraw/zinc/07/15/86/602071586.db2.gz DOVVBVXAXIIGOY-UHFFFAOYSA-N -1 0 329.421 3.896 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2ccccc2N2CCCCC2)c1 ZINC000738625800 602078371 /nfs/dbraw/zinc/07/83/71/602078371.db2.gz XATYFBFUENBKHN-UHFFFAOYSA-N -1 0 338.407 3.556 20 0 EHADRM CC(C)CO[C@@H](C)C(=O)O[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000826895069 602082648 /nfs/dbraw/zinc/08/26/48/602082648.db2.gz BJCSVSRMFZLIBT-ZANVPECISA-N -1 0 349.210 3.723 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000827273928 602083705 /nfs/dbraw/zinc/08/37/05/602083705.db2.gz UVJGJOFUYVYVHC-YJYMSZOUSA-N -1 0 337.375 3.749 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)N1CCCc2sccc2C1 ZINC000833224590 602095372 /nfs/dbraw/zinc/09/53/72/602095372.db2.gz CVIGXBMUAWRKBO-UHFFFAOYSA-N -1 0 338.473 3.631 20 0 EHADRM Cc1ncsc1-c1nc(CSCc2ccc(C(=O)[O-])cc2)no1 ZINC000819012517 602099645 /nfs/dbraw/zinc/09/96/45/602099645.db2.gz UDUIPDHQEDIBNY-UHFFFAOYSA-N -1 0 347.421 3.633 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000827274115 602101386 /nfs/dbraw/zinc/10/13/86/602101386.db2.gz WEZVFSDNDSKFSJ-BMIGLBTASA-N -1 0 337.828 3.718 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)Nc1ccc(SC(F)F)cc1 ZINC000739242882 602103070 /nfs/dbraw/zinc/10/30/70/602103070.db2.gz ZGEYJAQSNCBHDR-LDYMZIIASA-N -1 0 332.372 3.622 20 0 EHADRM Cc1sc(NC(=O)[C@H](C)CC(=O)[O-])nc1-c1cccc(Cl)c1 ZINC000833034064 602106621 /nfs/dbraw/zinc/10/66/21/602106621.db2.gz NSOKTYMNXSCJLP-MRVPVSSYSA-N -1 0 338.816 3.821 20 0 EHADRM CCC[C@@](C)(NC(=O)[O-])C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000739289310 602107335 /nfs/dbraw/zinc/10/73/35/602107335.db2.gz LHRWXQHSXDSGMX-ZUZCIYMTSA-N -1 0 346.349 3.709 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000666361760 602107575 /nfs/dbraw/zinc/10/75/75/602107575.db2.gz PDOOULWKGSKPMA-ZIAGYGMSSA-N -1 0 339.457 3.508 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc(C(F)(F)F)ccc2F)ccc1F ZINC000325529131 602107720 /nfs/dbraw/zinc/10/77/20/602107720.db2.gz KWEPQNRHIMBMMX-UHFFFAOYSA-N -1 0 345.223 3.934 20 0 EHADRM C[C@H](COc1ccccc1)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000827525809 602110540 /nfs/dbraw/zinc/11/05/40/602110540.db2.gz ZOGSSYLUJJRRQR-LLVKDONJSA-N -1 0 333.771 3.692 20 0 EHADRM C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)[C@@H](C)CC(=O)[O-])C1CC1 ZINC000827247059 602118850 /nfs/dbraw/zinc/11/88/50/602118850.db2.gz ICEOPIVKMPGOOD-WDEREUQCSA-N -1 0 343.345 3.868 20 0 EHADRM O=C([O-])N1CCC(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC000740469946 602125327 /nfs/dbraw/zinc/12/53/27/602125327.db2.gz OTNRCBSWGSMPIB-UHFFFAOYSA-N -1 0 336.391 3.586 20 0 EHADRM O=C([O-])c1cc(NCc2nnc(-c3ccc(Cl)cc3)o2)ccc1F ZINC000833301413 602127688 /nfs/dbraw/zinc/12/76/88/602127688.db2.gz YWPQCMOBYGWQJC-UHFFFAOYSA-N -1 0 347.733 3.839 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(C(F)(F)F)ccc2F)c(F)c1 ZINC000325488888 602139130 /nfs/dbraw/zinc/13/91/30/602139130.db2.gz MUUGUWNOFPWWCG-UHFFFAOYSA-N -1 0 345.223 3.934 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(NC[C@@]3(C)CCCS3)c12 ZINC000833002870 602142833 /nfs/dbraw/zinc/14/28/33/602142833.db2.gz HZRMBKSSVVLWOJ-OAHLLOKOSA-N -1 0 337.470 3.704 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)Nc1ccc(-c2nc(C)cs2)cc1 ZINC000739230118 602149576 /nfs/dbraw/zinc/14/95/76/602149576.db2.gz IXAGWWBDXNXSOT-HZMBPMFUSA-N -1 0 347.440 3.739 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000827873932 602152067 /nfs/dbraw/zinc/15/20/67/602152067.db2.gz SRUDUMGLCVWBDM-HUUCEWRRSA-N -1 0 345.439 3.719 20 0 EHADRM CCc1oc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)cc1C ZINC000761897418 602156560 /nfs/dbraw/zinc/15/65/60/602156560.db2.gz KVJWXENOQGYUKY-CYBMUJFWSA-N -1 0 335.787 3.750 20 0 EHADRM CC[C@H](c1ccccc1)N(CC)C(=O)NCC1CCN(C(=O)[O-])CC1 ZINC000739262799 602159931 /nfs/dbraw/zinc/15/99/31/602159931.db2.gz FOKLOFBDTZLRFA-QGZVFWFLSA-N -1 0 347.459 3.559 20 0 EHADRM CCCCC[C@H](NC(=O)c1cc(C)sc1Br)C(=O)[O-] ZINC000829326722 602165216 /nfs/dbraw/zinc/16/52/16/602165216.db2.gz OWLVCSXXKPCFOM-JTQLQIEISA-N -1 0 348.262 3.582 20 0 EHADRM CCOc1cc(N[C@@H](C(=O)[O-])c2cc(OC)cc(OC)c2)ccc1C ZINC000830049522 602169658 /nfs/dbraw/zinc/16/96/58/602169658.db2.gz FPPWIKZEZJXXLC-GOSISDBHSA-N -1 0 345.395 3.649 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)c2cccc3cccnc32)c1 ZINC000739918634 602172765 /nfs/dbraw/zinc/17/27/65/602172765.db2.gz VMDLMUFXBJSWEY-UHFFFAOYSA-N -1 0 337.335 3.586 20 0 EHADRM Cc1cc(C(=O)Nc2ccccc2NC(=O)[O-])nn1-c1ccccc1 ZINC000740059299 602175051 /nfs/dbraw/zinc/17/50/51/602175051.db2.gz GSGIRCDLIACJEP-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM CN(C)c1nc2cc(N[C@H](C(=O)[O-])c3cccc(Cl)c3)ccc2o1 ZINC000830651588 602177783 /nfs/dbraw/zinc/17/77/83/602177783.db2.gz UOOUWGVDQMXFNH-HNNXBMFYSA-N -1 0 345.786 3.785 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)CSc1ccc(F)c(F)c1 ZINC000740714322 602178698 /nfs/dbraw/zinc/17/86/98/602178698.db2.gz MRKNWFKZJMXQHE-UHFFFAOYSA-N -1 0 338.335 3.786 20 0 EHADRM Cc1oc(-c2ccccc2F)nc1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000762162639 602179711 /nfs/dbraw/zinc/17/97/11/602179711.db2.gz UVWVITWRFWHKMS-UHFFFAOYSA-N -1 0 346.339 3.801 20 0 EHADRM O=C([O-])c1ccc(CSCc2cccc3nsnc32)cc1F ZINC000833317433 602180079 /nfs/dbraw/zinc/18/00/79/602180079.db2.gz VNROQTTWPVFZOM-UHFFFAOYSA-N -1 0 334.397 3.962 20 0 EHADRM Cc1nc(-c2ccccc2)ncc1C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000678975805 602182857 /nfs/dbraw/zinc/18/28/57/602182857.db2.gz PIJKGWVFCDROJG-UHFFFAOYSA-N -1 0 347.374 3.711 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2cc(Cl)ccc2OC(F)F)c1 ZINC000191349734 602183803 /nfs/dbraw/zinc/18/38/03/602183803.db2.gz BYDYHOFMBWAEFK-UHFFFAOYSA-N -1 0 347.726 3.953 20 0 EHADRM Cc1cccc2c(CCC(=O)Nc3cc(C(=O)[O-])cs3)c[nH]c21 ZINC000191349679 602189617 /nfs/dbraw/zinc/18/96/17/602189617.db2.gz IYPCXCXIQNYLQA-UHFFFAOYSA-N -1 0 328.393 3.807 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000192847215 602199087 /nfs/dbraw/zinc/19/90/87/602199087.db2.gz ZTPKHGBUHDODOG-HNNXBMFYSA-N -1 0 335.762 3.733 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)Cc2csc3ccccc23)c1 ZINC000740677295 602200590 /nfs/dbraw/zinc/20/05/90/602200590.db2.gz ZZUWUSVALJMGPR-UHFFFAOYSA-N -1 0 340.404 3.850 20 0 EHADRM Cc1ccc(CNC(=O)[C@@H](C)CC(=O)[O-])c(Oc2ccccc2)c1 ZINC000832932463 602202942 /nfs/dbraw/zinc/20/29/42/602202942.db2.gz LNOZMDTWTDUMJI-AWEZNQCLSA-N -1 0 327.380 3.514 20 0 EHADRM Cc1ccc(CNC(=O)[C@H](C)CC(=O)[O-])c(O[C@@H](C)CC(C)C)c1 ZINC000832932162 602231646 /nfs/dbraw/zinc/23/16/46/602231646.db2.gz CGNUHTHLVGPASV-CABCVRRESA-N -1 0 335.444 3.535 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)Nc1cccnc1Cl)c1ccccc1 ZINC000826102872 602233817 /nfs/dbraw/zinc/23/38/17/602233817.db2.gz KKUWGNXDXZVCFM-CYBMUJFWSA-N -1 0 347.802 3.709 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)Nc1ccc(Cl)nc1)c1ccccc1 ZINC000826103180 602234053 /nfs/dbraw/zinc/23/40/53/602234053.db2.gz NUHMVDCXPCLELJ-AWEZNQCLSA-N -1 0 347.802 3.709 20 0 EHADRM COc1ccccc1NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000832623310 602235029 /nfs/dbraw/zinc/23/50/29/602235029.db2.gz NUUWXYCYTDHWNH-MRXNPFEDSA-N -1 0 342.395 3.669 20 0 EHADRM Cc1ccc(NC(=S)Nc2ccc3c(c2)CCN3C(=O)[O-])cc1F ZINC000740139686 602235363 /nfs/dbraw/zinc/23/53/63/602235363.db2.gz WTHZLLIZCVBJCG-UHFFFAOYSA-N -1 0 345.399 3.984 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000738945091 602238125 /nfs/dbraw/zinc/23/81/25/602238125.db2.gz PHZMIRQBOBLLMS-LBPRGKRZSA-N -1 0 342.370 3.684 20 0 EHADRM CC[C@H](Sc1nnc(-c2ccco2)n1-c1ccc(C)cc1)C(=O)[O-] ZINC000829020627 602243413 /nfs/dbraw/zinc/24/34/13/602243413.db2.gz IOFIHRCQRLWXMY-AWEZNQCLSA-N -1 0 343.408 3.791 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)c3csc4c3CCCC4)ccc21 ZINC000740465380 602252799 /nfs/dbraw/zinc/25/27/99/602252799.db2.gz HKSYYXAFRSFISY-UHFFFAOYSA-N -1 0 342.420 3.920 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)[C@H]2CC23CCCC3)c2ccccc12 ZINC000262514679 602259405 /nfs/dbraw/zinc/25/94/05/602259405.db2.gz PQTCESIAHKHLND-OAHLLOKOSA-N -1 0 339.391 3.822 20 0 EHADRM CCC/C(C)=C\C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000829208325 602259828 /nfs/dbraw/zinc/25/98/28/602259828.db2.gz KHSPOPNMEWXKDH-QBFSEMIESA-N -1 0 327.380 3.988 20 0 EHADRM Cc1ccc(CN(C)C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])s1 ZINC000740123579 602260249 /nfs/dbraw/zinc/26/02/49/602260249.db2.gz WZUTYYWVFIENJZ-UHFFFAOYSA-N -1 0 345.424 3.761 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)[C@H]2Cc3ccccc32)c2ccccc12 ZINC000346028185 602263475 /nfs/dbraw/zinc/26/34/75/602263475.db2.gz PUQYYOHCIMXRMC-KRWDZBQOSA-N -1 0 347.370 3.582 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000827873764 602264800 /nfs/dbraw/zinc/26/48/00/602264800.db2.gz OGINSRPAGQEOCY-LBPRGKRZSA-N -1 0 338.375 3.695 20 0 EHADRM C[C@H]1CCC[C@H](N(C)C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])C1 ZINC000739089483 602275718 /nfs/dbraw/zinc/27/57/18/602275718.db2.gz FUZYTODGRXNEOP-WFASDCNBSA-N -1 0 331.416 3.770 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])s1 ZINC000740113986 602277109 /nfs/dbraw/zinc/27/71/09/602277109.db2.gz PPEXBYSQIKNQSH-NSHDSACASA-N -1 0 345.424 3.980 20 0 EHADRM Cc1oc(-c2ccsc2)nc1CN1CCCC[C@H]1[C@H](C)NC(=O)[O-] ZINC000740274748 602293473 /nfs/dbraw/zinc/29/34/73/602293473.db2.gz RZXVKYUZZATXHC-NHYWBVRUSA-N -1 0 349.456 3.722 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)Nc1cc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000827303868 602298905 /nfs/dbraw/zinc/29/89/05/602298905.db2.gz KDXPBYJRXFZIQW-LLVKDONJSA-N -1 0 330.384 3.688 20 0 EHADRM CN(CCNC(=O)c1sc2cc(Cl)ccc2c1Cl)C(=O)[O-] ZINC000739699962 602299735 /nfs/dbraw/zinc/29/97/35/602299735.db2.gz ZCHKJMYGDVXWPE-UHFFFAOYSA-N -1 0 347.223 3.548 20 0 EHADRM O=C([O-])CCCCCNC(=O)C1(c2c(Cl)cccc2Cl)CC1 ZINC000502383953 602301945 /nfs/dbraw/zinc/30/19/45/602301945.db2.gz AYKBGLGEWRLDAG-UHFFFAOYSA-N -1 0 344.238 3.786 20 0 EHADRM C[C@@H]1CC[C@@H](CC(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)C1 ZINC000828221506 602312690 /nfs/dbraw/zinc/31/26/90/602312690.db2.gz QWQPSUZFDZPHIO-CHWSQXEVSA-N -1 0 339.382 3.594 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CSc1ncc(C(C)(C)C)o1 ZINC000832915291 602314150 /nfs/dbraw/zinc/31/41/50/602314150.db2.gz GUTVOFCIGKEWAY-UHFFFAOYSA-N -1 0 348.424 3.710 20 0 EHADRM CCOc1cc(Cl)ccc1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000180130010 602324125 /nfs/dbraw/zinc/32/41/25/602324125.db2.gz XOWCLWYKGYSKBX-MNOVXSKESA-N -1 0 325.792 3.568 20 0 EHADRM COc1ccc(NC(=O)CCc2ccccc2C)cc1NC(=O)[O-] ZINC000739918653 602336623 /nfs/dbraw/zinc/33/66/23/602336623.db2.gz GJLBZKKDWWPHTE-UHFFFAOYSA-N -1 0 328.368 3.665 20 0 EHADRM C/C(=C\COC(=O)C1(c2c(Cl)cccc2Cl)CC1)C(=O)[O-] ZINC000825751764 602345883 /nfs/dbraw/zinc/34/58/83/602345883.db2.gz CEMBOYZHGCCNAL-WEVVVXLNSA-N -1 0 329.179 3.599 20 0 EHADRM CC(C)c1cccc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)n1 ZINC000827134119 602348385 /nfs/dbraw/zinc/34/83/85/602348385.db2.gz DYTJRAJUXIZVIR-UHFFFAOYSA-N -1 0 344.436 3.775 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000827255435 602350727 /nfs/dbraw/zinc/35/07/27/602350727.db2.gz DUVXKVLZVNMQMM-LLVKDONJSA-N -1 0 343.345 3.522 20 0 EHADRM O=C([O-])c1ccc(NC(=O)/C=C\c2nc3ccccc3s2)cc1F ZINC000767200747 602353316 /nfs/dbraw/zinc/35/33/16/602353316.db2.gz VEMFBEAEBPMBBS-FPLPWBNLSA-N -1 0 342.351 3.786 20 0 EHADRM Cc1cc(OCC(=O)Nc2ccc(C(=O)[O-])c(F)c2)ccc1Cl ZINC000323178557 602353567 /nfs/dbraw/zinc/35/35/67/602353567.db2.gz ZDYWBZPLROBYCH-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM CC[C@H](NC(=O)[O-])C(=O)Nc1cc2oc3ccccc3c2cc1OC ZINC000739532570 602354464 /nfs/dbraw/zinc/35/44/64/602354464.db2.gz MKBATVLVCYKQAM-LBPRGKRZSA-N -1 0 342.351 3.579 20 0 EHADRM CCOc1ccc([C@@H]2CCCN2C(=O)CCN(C(=O)[O-])C(C)C)cc1 ZINC000739496813 602354990 /nfs/dbraw/zinc/35/49/90/602354990.db2.gz KNUATMLDZCGKEH-KRWDZBQOSA-N -1 0 348.443 3.527 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000828765108 602357726 /nfs/dbraw/zinc/35/77/26/602357726.db2.gz WJRLDQGOQZICOS-NSHDSACASA-N -1 0 331.343 3.954 20 0 EHADRM O=C([O-])c1ccc(NC(=O)COc2cccc3ccccc32)cc1F ZINC000776647005 602359755 /nfs/dbraw/zinc/35/97/55/602359755.db2.gz WYESJHOYXRBQSC-UHFFFAOYSA-N -1 0 339.322 3.695 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCOc2cccc(Cl)c2)cc1F ZINC000323110135 602360925 /nfs/dbraw/zinc/36/09/25/602360925.db2.gz FLMHCJIVFBUPBD-UHFFFAOYSA-N -1 0 337.734 3.585 20 0 EHADRM C[C@@H]1CCN(C(=O)C2CCC(NC(=O)[O-])CC2)c2ccccc2S1 ZINC000739111639 602367078 /nfs/dbraw/zinc/36/70/78/602367078.db2.gz CVXWYWBUUOMRAP-IYXRBSQSSA-N -1 0 348.468 3.730 20 0 EHADRM C[C@@H](CCc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000325980246 602370097 /nfs/dbraw/zinc/37/00/97/602370097.db2.gz BGJIPRPTDRCFEI-LBPRGKRZSA-N -1 0 330.359 3.667 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccc(F)c(F)c1 ZINC000827671064 602372861 /nfs/dbraw/zinc/37/28/61/602372861.db2.gz CCCZAZVKCHFAOM-MRVPVSSYSA-N -1 0 338.285 3.685 20 0 EHADRM C[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000323113673 602375246 /nfs/dbraw/zinc/37/52/46/602375246.db2.gz GMPAPAWEXUFLEZ-SECBINFHSA-N -1 0 334.372 3.737 20 0 EHADRM C[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000323114019 602375451 /nfs/dbraw/zinc/37/54/51/602375451.db2.gz GMPAPAWEXUFLEZ-VIFPVBQESA-N -1 0 334.372 3.737 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCc2cc3c(s2)CCCC3)cc1F ZINC000833144291 602379269 /nfs/dbraw/zinc/37/92/69/602379269.db2.gz PXEPJUWAUUELPK-UHFFFAOYSA-N -1 0 348.399 3.786 20 0 EHADRM CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000828901597 602379866 /nfs/dbraw/zinc/37/98/66/602379866.db2.gz XVHXAZCZVKIIKO-CYBMUJFWSA-N -1 0 330.359 3.667 20 0 EHADRM CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000830149626 602381177 /nfs/dbraw/zinc/38/11/77/602381177.db2.gz JEHARAQKUOXBSK-NWDGAFQWSA-N -1 0 340.420 3.662 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCc2ccc(Cl)s2)cc1F ZINC000236472205 602382215 /nfs/dbraw/zinc/38/22/15/602382215.db2.gz JDRPBCBAHBVXEO-UHFFFAOYSA-N -1 0 328.752 3.561 20 0 EHADRM CCOc1ccc([C@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000830064821 602384211 /nfs/dbraw/zinc/38/42/11/602384211.db2.gz XGKCQGIDNFSKJP-NSHDSACASA-N -1 0 346.358 3.805 20 0 EHADRM CC[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000828884064 602384369 /nfs/dbraw/zinc/38/43/69/602384369.db2.gz OCYIDRBIFOIXPD-LBPRGKRZSA-N -1 0 330.359 3.839 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccn2Cc2cccs2)cc1F ZINC000767201648 602392744 /nfs/dbraw/zinc/39/27/44/602392744.db2.gz TVAANRODBJSRSS-UHFFFAOYSA-N -1 0 344.367 3.688 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2(c3ccc(F)cc3)CCC2)cc1F ZINC000767206736 602394564 /nfs/dbraw/zinc/39/45/64/602394564.db2.gz WMUQYWLIOPZAOH-UHFFFAOYSA-N -1 0 331.318 3.723 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1cccc(C(C)C)n1)c1ccccc1 ZINC000828595091 602397925 /nfs/dbraw/zinc/39/79/25/602397925.db2.gz QMYLVRFJKBCTRQ-KRWDZBQOSA-N -1 0 326.396 3.715 20 0 EHADRM Cc1ccc(-c2cncc(C(=O)N(CC(=O)[O-])C3CCCC3)c2)cc1 ZINC000832907441 602400210 /nfs/dbraw/zinc/40/02/10/602400210.db2.gz XGWAHOMOZPSCQH-UHFFFAOYSA-N -1 0 338.407 3.526 20 0 EHADRM O=C([O-])N[C@@H](CCc1nc(-c2ccc(F)cc2)no1)c1ccccc1 ZINC000740538587 602405586 /nfs/dbraw/zinc/40/55/86/602405586.db2.gz GKMNIZHHRFHMMF-HNNXBMFYSA-N -1 0 341.342 3.817 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(-c2cc(-c3ccccc3)on2)n1 ZINC000738814222 602407464 /nfs/dbraw/zinc/40/74/64/602407464.db2.gz AUGLUHGMYQREFM-GFCCVEGCSA-N -1 0 342.355 3.746 20 0 EHADRM Cc1nc(C(C)C)sc1-c1nc([C@H](CC(C)C)NC(=O)[O-])no1 ZINC000740214075 602408043 /nfs/dbraw/zinc/40/80/43/602408043.db2.gz HRTQISXPEQNMRH-JTQLQIEISA-N -1 0 338.433 3.980 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(-c2cc3ccccc3n2C)n1 ZINC000738818853 602409148 /nfs/dbraw/zinc/40/91/48/602409148.db2.gz ZMJCLEZWEUREKY-LBPRGKRZSA-N -1 0 328.372 3.583 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(-c2ccc3ccccc3n2)n1 ZINC000738814991 602410568 /nfs/dbraw/zinc/41/05/68/602410568.db2.gz FCKBNMRGQTVKBZ-CQSZACIVSA-N -1 0 326.356 3.640 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)NCc1ccc(Cl)cc1)c1ccccc1 ZINC000740540381 602453996 /nfs/dbraw/zinc/45/39/96/602453996.db2.gz TXJISZPBIMMXIB-INIZCTEOSA-N -1 0 346.814 3.745 20 0 EHADRM Cc1ccc(NC(=S)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)cc1 ZINC000740139453 602459596 /nfs/dbraw/zinc/45/95/96/602459596.db2.gz NIPIKPUFLIWWCT-UHFFFAOYSA-N -1 0 341.436 3.840 20 0 EHADRM COCc1ccccc1NC(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000739845226 602459871 /nfs/dbraw/zinc/45/98/71/602459871.db2.gz GUNNQQIDOQOEOU-QGZVFWFLSA-N -1 0 342.395 3.561 20 0 EHADRM C[C@@H](Cc1ccsc1)NC(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000738945962 602463244 /nfs/dbraw/zinc/46/32/44/602463244.db2.gz CVFLTPYETLATGA-XJKSGUPXSA-N -1 0 346.452 3.584 20 0 EHADRM Cc1ccc2c(c1)N(C(=O)c1ccc(F)c(NC(=O)[O-])c1)CCC2 ZINC000740152673 602468647 /nfs/dbraw/zinc/46/86/47/602468647.db2.gz FFAHANKVBRPWJT-UHFFFAOYSA-N -1 0 328.343 3.817 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CCC[C@@H]2c2cccs2)ccc1F ZINC000740692691 602481982 /nfs/dbraw/zinc/48/19/82/602481982.db2.gz FJXKTPUTRGIEIV-CYBMUJFWSA-N -1 0 334.372 3.954 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N(Cc2cccc(F)c2)C2CC2)ccc1F ZINC000740692857 602484261 /nfs/dbraw/zinc/48/42/61/602484261.db2.gz IKYQMTZYXKALEG-UHFFFAOYSA-N -1 0 346.333 3.860 20 0 EHADRM CSc1ccc(CNC(=O)c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000740017226 602486446 /nfs/dbraw/zinc/48/64/46/602486446.db2.gz ZNLMZERKVDEIIY-UHFFFAOYSA-N -1 0 334.372 3.568 20 0 EHADRM CC(C)(C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2)c1ccccc1 ZINC000738661955 602487031 /nfs/dbraw/zinc/48/70/31/602487031.db2.gz NJXRMIGYVJXJFB-UHFFFAOYSA-N -1 0 338.407 3.639 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CC[C@H](c3cccc(F)c3)C2)ccc1F ZINC000740692353 602488626 /nfs/dbraw/zinc/48/86/26/602488626.db2.gz ANNMHMGIUWSRRY-ZDUSSCGKSA-N -1 0 346.333 3.684 20 0 EHADRM Cc1nc2c(s1)[C@H](N(C)C(=O)c1cccc(NC(=O)[O-])c1)CCC2 ZINC000738872471 602489421 /nfs/dbraw/zinc/48/94/21/602489421.db2.gz GLCAQLPMUAZWAN-CQSZACIVSA-N -1 0 345.424 3.691 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)CSc2nc3ccccc3o2)cc1 ZINC000740709602 602500349 /nfs/dbraw/zinc/50/03/49/602500349.db2.gz NLCPOWBPQKTASJ-UHFFFAOYSA-N -1 0 343.364 3.649 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1 ZINC000740712325 602501082 /nfs/dbraw/zinc/50/10/82/602501082.db2.gz NRHMWSPQYPAZMO-UHFFFAOYSA-N -1 0 326.139 3.731 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)C2(c3cccc(F)c3)CCC2)cc1 ZINC000740708471 602501858 /nfs/dbraw/zinc/50/18/58/602501858.db2.gz SGYQXZJCRIIJEQ-UHFFFAOYSA-N -1 0 328.343 3.976 20 0 EHADRM COc1ccc(C2(C(=O)Nc3ccc(NC(=O)[O-])cc3)CCC2)cc1 ZINC000739888655 602504380 /nfs/dbraw/zinc/50/43/80/602504380.db2.gz FEEYPYSKSCOLQG-UHFFFAOYSA-N -1 0 340.379 3.846 20 0 EHADRM COc1ccccc1C(C)=CC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738118616 602505057 /nfs/dbraw/zinc/50/50/57/602505057.db2.gz ATIADKKIDJIUSJ-VAWYXSNFSA-N -1 0 326.352 3.827 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)c3ccc4ccccc4n3)ccc21 ZINC000740472150 602506559 /nfs/dbraw/zinc/50/65/59/602506559.db2.gz PQRGIEWCSMHQKK-UHFFFAOYSA-N -1 0 347.374 3.918 20 0 EHADRM C[C@H]1CCCC[C@@]1(CNC(=O)[O-])NC(=O)c1cccc(C(F)F)c1 ZINC000739098543 602510177 /nfs/dbraw/zinc/51/01/77/602510177.db2.gz IDIUBQSDYVOMBC-GTNSWQLSSA-N -1 0 340.370 3.571 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)c3cccc(F)c3F)ccc21 ZINC000740472405 602510301 /nfs/dbraw/zinc/51/03/01/602510301.db2.gz UEYHILFHXXEHHX-UHFFFAOYSA-N -1 0 332.306 3.648 20 0 EHADRM Cc1csc(-c2ccc(NC(=O)[C@@H]3CCCCN3C(=O)[O-])cc2)n1 ZINC000740201200 602511025 /nfs/dbraw/zinc/51/10/25/602511025.db2.gz QTDCGJWPHFQBKA-AWEZNQCLSA-N -1 0 345.424 3.590 20 0 EHADRM C[C@H](NC(=O)C1CCC(NC(=O)[O-])CC1)c1cc2ccccc2s1 ZINC000738954896 602517720 /nfs/dbraw/zinc/51/77/20/602517720.db2.gz OXOMYWLEACANRC-DCBWTQNWSA-N -1 0 346.452 3.905 20 0 EHADRM Cc1ccc(-c2nc(CN3CCC(N(C)C(=O)[O-])CC3)cs2)cc1 ZINC000738252159 602531020 /nfs/dbraw/zinc/53/10/20/602531020.db2.gz YTXZXYHVSXEUAT-UHFFFAOYSA-N -1 0 345.468 3.693 20 0 EHADRM CN(Cc1ccc(F)cc1)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739709715 602566489 /nfs/dbraw/zinc/56/64/89/602566489.db2.gz KLKYPWBWJSUCDQ-UHFFFAOYSA-N -1 0 335.310 3.719 20 0 EHADRM CN(CC(=O)Nc1ccccc1Oc1ccc(Cl)cc1)C(=O)[O-] ZINC000739628579 602570360 /nfs/dbraw/zinc/57/03/60/602570360.db2.gz OFDZVHVKIPENJF-UHFFFAOYSA-N -1 0 334.759 3.681 20 0 EHADRM CCC1(C)CCN(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])CC1 ZINC000739266390 602595812 /nfs/dbraw/zinc/59/58/12/602595812.db2.gz WQXDDXCZOITOHL-UHFFFAOYSA-N -1 0 331.416 3.771 20 0 EHADRM CC(C)CO[C@@H](C)C(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000738828338 602643097 /nfs/dbraw/zinc/64/30/97/602643097.db2.gz TZRHPVLRFLVCMV-VIFPVBQESA-N -1 0 348.321 3.795 20 0 EHADRM C[C@H](OCC1CC1)C(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000739047763 602643659 /nfs/dbraw/zinc/64/36/59/602643659.db2.gz JFRITOGITFCNNG-QMMMGPOBSA-N -1 0 346.305 3.549 20 0 EHADRM Cc1noc(C)c1C(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000740265847 602643822 /nfs/dbraw/zinc/64/38/22/602643822.db2.gz VJUGFXBILMDQEI-UHFFFAOYSA-N -1 0 343.261 3.652 20 0 EHADRM O=C([O-])NC1(C(=O)OCc2ccc(Cl)c3cccnc23)CCCC1 ZINC000740544467 602652006 /nfs/dbraw/zinc/65/20/06/602652006.db2.gz FYUBVXNXVNCIOZ-UHFFFAOYSA-N -1 0 348.786 3.512 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)Nc2ccccc2NC(=O)[O-])c(C)c1 ZINC000740063156 602652991 /nfs/dbraw/zinc/65/29/91/602652991.db2.gz HZIYUEGHCXFERR-UHFFFAOYSA-N -1 0 334.397 3.503 20 0 EHADRM O=C([O-])N1CC[C@@H](CCNC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000740426462 602689859 /nfs/dbraw/zinc/68/98/59/602689859.db2.gz JSDXCKKXKFPFGU-SECBINFHSA-N -1 0 346.214 3.505 20 0 EHADRM Cc1cc(OC(=O)c2csc(CNC(=O)[O-])n2)ccc1C(C)C ZINC000740088859 602694198 /nfs/dbraw/zinc/69/41/98/602694198.db2.gz HMIIBSRDHIEOMC-UHFFFAOYSA-N -1 0 334.397 3.562 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC)C(=O)c1csc(CNC(=O)[O-])n1 ZINC000739265579 602697701 /nfs/dbraw/zinc/69/77/01/602697701.db2.gz RALRSSOFUMPPDT-AWEZNQCLSA-N -1 0 347.440 3.524 20 0 EHADRM COc1ccc(OC(C)C)c(NC(=O)c2ccc(NC(=O)[O-])cc2)c1 ZINC000738044911 602726815 /nfs/dbraw/zinc/72/68/15/602726815.db2.gz UJGJOTHTTBPEEW-UHFFFAOYSA-N -1 0 344.367 3.825 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)Oc1cccc(CNC(=O)[O-])c1 ZINC000739956337 602730547 /nfs/dbraw/zinc/73/05/47/602730547.db2.gz DHZNXNCZULEDKW-CYBMUJFWSA-N -1 0 343.379 3.562 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2ccc(OCC3CC3)cc2)ccc1F ZINC000740700088 602751903 /nfs/dbraw/zinc/75/19/03/602751903.db2.gz ZAUZSBJDLUMFDN-UHFFFAOYSA-N -1 0 344.342 3.957 20 0 EHADRM COc1ccc(C2(NC(=O)Nc3ccc(NC(=O)[O-])cc3)CC2)cc1 ZINC000737981396 602752986 /nfs/dbraw/zinc/75/29/86/602752986.db2.gz JWKNYSQAEYFXNX-UHFFFAOYSA-N -1 0 341.367 3.596 20 0 EHADRM C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)C[C@H](C)NC(=O)[O-] ZINC000824565781 602762172 /nfs/dbraw/zinc/76/21/72/602762172.db2.gz RKVOVMZFQKSZEN-JKSUJKDBSA-N -1 0 340.423 3.823 20 0 EHADRM C[C@H](CC(=O)N1CC=C(c2cccc3ccccc32)CC1)NC(=O)[O-] ZINC000824565620 602764862 /nfs/dbraw/zinc/76/48/62/602764862.db2.gz OVRNBAXOYXSUTN-CQSZACIVSA-N -1 0 338.407 3.502 20 0 EHADRM CC1(C)CN(C(=O)c2ccc(CNC(=O)[O-])o2)c2cccc(Cl)c21 ZINC000825734437 602768687 /nfs/dbraw/zinc/76/86/87/602768687.db2.gz MVNYWMWIIAJGDC-UHFFFAOYSA-N -1 0 348.786 3.639 20 0 EHADRM O=C([O-])N1CCC[C@H]1[C@H]1CCCN(C(=O)CCCC2CCCC2)C1 ZINC000831427462 602789563 /nfs/dbraw/zinc/78/95/63/602789563.db2.gz CXTADSINPPZGKQ-IRXDYDNUSA-N -1 0 336.476 3.728 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)CCC(C)(C)NC(=O)[O-] ZINC000740050585 602794468 /nfs/dbraw/zinc/79/44/68/602794468.db2.gz UHRWFBBXSDXVFP-GFCCVEGCSA-N -1 0 332.400 3.745 20 0 EHADRM Cc1cc2cc(C(=O)N[C@@H](C)[C@@H]3CCCN(C(=O)[O-])C3)oc2cc1C ZINC000830143605 602802034 /nfs/dbraw/zinc/80/20/34/602802034.db2.gz KDVDYDMITZRTNX-UONOGXRCSA-N -1 0 344.411 3.558 20 0 EHADRM CC(C)(CCC(=O)Nc1cc(C(F)(F)F)ccc1F)NC(=O)[O-] ZINC000738741968 602802444 /nfs/dbraw/zinc/80/24/44/602802444.db2.gz VNFOTYUMKIFQJJ-UHFFFAOYSA-N -1 0 336.285 3.609 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)c3coc(-c4ccccc4)n3)ccc21 ZINC000740466554 602802481 /nfs/dbraw/zinc/80/24/81/602802481.db2.gz QHIXHINIMCAKGU-UHFFFAOYSA-N -1 0 349.346 3.634 20 0 EHADRM C[C@H](C(=O)Nc1cccc2c1CCN(C(=O)[O-])C2)c1ccsc1 ZINC000738641230 602807266 /nfs/dbraw/zinc/80/72/66/602807266.db2.gz ZEUQLDSTTDXSID-NSHDSACASA-N -1 0 330.409 3.526 20 0 EHADRM C[C@H](C(=O)Nc1cccc2[nH]ccc21)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823724206 602810058 /nfs/dbraw/zinc/81/00/58/602810058.db2.gz OLJHBWDMIAKGAR-SJCJKPOMSA-N -1 0 337.379 3.751 20 0 EHADRM Cc1ccc(C(=O)Nc2ccnn2[C@@H](C)C2CC2)cc1NC(=O)[O-] ZINC000830234553 602823904 /nfs/dbraw/zinc/82/39/04/602823904.db2.gz TXNPJBCDRLQLKT-NSHDSACASA-N -1 0 328.372 3.505 20 0 EHADRM Cc1ccc(C(=O)Nc2ccnn2[C@H](C)C2CC2)cc1NC(=O)[O-] ZINC000830234552 602823978 /nfs/dbraw/zinc/82/39/78/602823978.db2.gz TXNPJBCDRLQLKT-LLVKDONJSA-N -1 0 328.372 3.505 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N2CCC[C@H](CNC(=O)[O-])C2)cc1 ZINC000738879918 602826357 /nfs/dbraw/zinc/82/63/57/602826357.db2.gz YAENMVPZXDDZNA-HZPDHXFCSA-N -1 0 346.471 3.810 20 0 EHADRM Cc1cc2cc(C(=O)Nc3ccc(NC(=O)[O-])nc3)oc2cc1C ZINC000830143097 602830000 /nfs/dbraw/zinc/83/00/00/602830000.db2.gz DEYDCFSSSQJESR-UHFFFAOYSA-N -1 0 325.324 3.787 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N2CCC(CN(C)C(=O)[O-])CC2)cc1 ZINC000739545530 602831811 /nfs/dbraw/zinc/83/18/11/602831811.db2.gz XCJWFNVERVGTJP-OAHLLOKOSA-N -1 0 346.471 3.591 20 0 EHADRM CCCN(C[C@@H]1CCCCO1)C(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000826907613 602874149 /nfs/dbraw/zinc/87/41/49/602874149.db2.gz RAORFGXAHMQHKB-HNNXBMFYSA-N -1 0 334.416 3.506 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N[C@H]1CC[C@H](C)CC1 ZINC000829187576 602891737 /nfs/dbraw/zinc/89/17/37/602891737.db2.gz LCPOYLGKVSPBET-MGCOHNPYSA-N -1 0 340.807 3.747 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)[C@H]2CCSc3ccccc32)c1 ZINC000740674462 602900561 /nfs/dbraw/zinc/90/05/61/602900561.db2.gz QVSNWYUGGDIEDL-HNNXBMFYSA-N -1 0 342.420 3.672 20 0 EHADRM CC(C)(CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1)NC(=O)[O-] ZINC000738733023 602940075 /nfs/dbraw/zinc/94/00/75/602940075.db2.gz PLKMYPXXLYALSJ-KRWDZBQOSA-N -1 0 340.423 3.523 20 0 EHADRM CC(=O)Nc1cc(NC(=O)Nc2ccc(NC(=O)[O-])cc2)ccc1C ZINC000736157155 602951837 /nfs/dbraw/zinc/95/18/37/602951837.db2.gz DERMYIDVASBUDY-UHFFFAOYSA-N -1 0 342.355 3.687 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Oc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738250877 602957390 /nfs/dbraw/zinc/95/73/90/602957390.db2.gz CURHRIXPVSWAEB-UHFFFAOYSA-N -1 0 327.336 3.653 20 0 EHADRM Cc1ccc(C(=O)NCC(C)(C)c2cccc(F)c2)cc1NC(=O)[O-] ZINC000830211499 602961975 /nfs/dbraw/zinc/96/19/75/602961975.db2.gz RWPPXDMJEWRKIO-UHFFFAOYSA-N -1 0 344.386 3.932 20 0 EHADRM Cc1ccc(C(=O)NC2(c3ccccc3F)CC2)cc1NC(=O)[O-] ZINC000830204179 602966801 /nfs/dbraw/zinc/96/68/01/602966801.db2.gz DLCKCFSZHSGDHI-UHFFFAOYSA-N -1 0 328.343 3.643 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)C=Cc2ccnc3ccccc23)cc1 ZINC000738667253 602968710 /nfs/dbraw/zinc/96/87/10/602968710.db2.gz MZACAXMAQORQKA-BJMVGYQFSA-N -1 0 334.331 3.944 20 0 EHADRM CCc1nc(C)c([C@@H](C)OC(=O)c2ccc(CNC(=O)[O-])cc2)s1 ZINC000739557549 602971395 /nfs/dbraw/zinc/97/13/95/602971395.db2.gz VJBNHKNHIBBUJW-LLVKDONJSA-N -1 0 348.424 3.700 20 0 EHADRM CC(C)Sc1ccc([C@H](C)NC(=O)CC(C)(C)NC(=O)[O-])cc1 ZINC000738869660 602987122 /nfs/dbraw/zinc/98/71/22/602987122.db2.gz MEDIFYZFJHILOI-LBPRGKRZSA-N -1 0 338.473 3.801 20 0 EHADRM Cc1ccc(C(=O)N2C[C@H](C)Oc3cc(F)ccc32)cc1NC(=O)[O-] ZINC000830188024 602999181 /nfs/dbraw/zinc/99/91/81/602999181.db2.gz URYXKGPCIAJRTH-NSHDSACASA-N -1 0 344.342 3.652 20 0 EHADRM C[C@H](CSc1ccccc1)c1nc(C2(NC(=O)[O-])CCC2)no1 ZINC000738947590 603004609 /nfs/dbraw/zinc/00/46/09/603004609.db2.gz DUVQOLUFYXEBCU-LLVKDONJSA-N -1 0 333.413 3.612 20 0 EHADRM Cc1c(-c2nc(C3(NC(=O)[O-])CCC3)no2)sc2nccc(C)c12 ZINC000740194576 603006124 /nfs/dbraw/zinc/00/61/24/603006124.db2.gz DZDZRQAQYLFCLR-UHFFFAOYSA-N -1 0 344.396 3.610 20 0 EHADRM Cc1cccc([C@@H](C)CNC(=O)Cc2ccc(NC(=O)[O-])cc2)c1 ZINC000740158204 603012201 /nfs/dbraw/zinc/01/22/01/603012201.db2.gz JWAIFUFAMGHOKX-AWEZNQCLSA-N -1 0 326.396 3.547 20 0 EHADRM C[C@@H](CN(C)C(=O)[O-])c1noc(CSc2ccc(Cl)cc2)n1 ZINC000738910547 603020062 /nfs/dbraw/zinc/02/00/62/603020062.db2.gz FYEJAMAYFQIVAW-VIFPVBQESA-N -1 0 341.820 3.729 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NCC(=O)Nc2ccccc2Cl)c1 ZINC000740703340 603020497 /nfs/dbraw/zinc/02/04/97/603020497.db2.gz MNNGEZTVROCDGD-UHFFFAOYSA-N -1 0 337.738 3.620 20 0 EHADRM O=C([O-])N[C@@H](CNC(=O)CC/C=C\c1ccccc1)c1ccccc1 ZINC000740539416 603022351 /nfs/dbraw/zinc/02/23/51/603022351.db2.gz UNSLVHYHUGFCLM-VTSXBNNFSA-N -1 0 338.407 3.605 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)Nc1cccc(NC2CCCC2)c1 ZINC000736417579 603027342 /nfs/dbraw/zinc/02/73/42/603027342.db2.gz WNVOGKBONKZZMR-MRXNPFEDSA-N -1 0 333.432 3.662 20 0 EHADRM CC(C)(CC(=O)N1CCC[C@@H]1c1cccc2ccccc21)NC(=O)[O-] ZINC000738732170 603029349 /nfs/dbraw/zinc/02/93/49/603029349.db2.gz PJHFPDGOAMKTHD-QGZVFWFLSA-N -1 0 340.423 3.940 20 0 EHADRM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739195638 603032289 /nfs/dbraw/zinc/03/22/89/603032289.db2.gz BWPQUMZSSYQJTG-QLJPJBMISA-N -1 0 343.358 3.971 20 0 EHADRM COc1cccc([C@@H](C)NC(=O)Nc2cc(NC(=O)[O-])ccc2F)c1 ZINC000739946936 603034509 /nfs/dbraw/zinc/03/45/09/603034509.db2.gz ZMNHKIABOOPWQG-SNVBAGLBSA-N -1 0 347.346 3.807 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N2CCC[C@H](C(F)(F)F)C2)c1 ZINC000740706185 603038764 /nfs/dbraw/zinc/03/87/64/603038764.db2.gz IIUWLRBBFOXCJO-QMMMGPOBSA-N -1 0 349.284 3.722 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)NCc2coc3ccccc23)c1 ZINC000740705292 603040096 /nfs/dbraw/zinc/04/00/96/603040096.db2.gz RARLRDOZGQWXAX-UHFFFAOYSA-N -1 0 343.314 3.984 20 0 EHADRM COc1ccc(Cl)cc1CC(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000829403790 603045151 /nfs/dbraw/zinc/04/51/51/603045151.db2.gz DEOHJWBDDKKMDZ-UHFFFAOYSA-N -1 0 349.770 3.611 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)C[C@@H]2CCOc3ccccc32)cc1 ZINC000827909246 603049601 /nfs/dbraw/zinc/04/96/01/603049601.db2.gz XIFLCVRFXFJFFE-ZDUSSCGKSA-N -1 0 341.363 3.663 20 0 EHADRM C[C@H](Oc1cccc(Cl)c1)C(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000825616773 603051018 /nfs/dbraw/zinc/05/10/18/603051018.db2.gz KCRBOCIBUJBKLF-NSHDSACASA-N -1 0 349.770 3.827 20 0 EHADRM Cc1ccc(OCCC(=O)Oc2ccc(N(C)C(=O)[O-])cc2)c(C)c1 ZINC000830407256 603053219 /nfs/dbraw/zinc/05/32/19/603053219.db2.gz OMGXRPANXMDSTH-UHFFFAOYSA-N -1 0 343.379 3.792 20 0 EHADRM COc1ccc(NC(=O)[C@H]2CSc3ccccc32)cc1NC(=O)[O-] ZINC000739921775 603053925 /nfs/dbraw/zinc/05/39/25/603053925.db2.gz SQTDGIAIALYUPI-LBPRGKRZSA-N -1 0 344.392 3.613 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)Cc1ccccc1OC(F)F ZINC000740714882 603054285 /nfs/dbraw/zinc/05/42/85/603054285.db2.gz ATGYIBFVULIPAV-UHFFFAOYSA-N -1 0 336.294 3.559 20 0 EHADRM CCN(Cc1ccccc1NC(=O)c1cc2ccccn2c1)C(=O)[O-] ZINC000739441673 603070657 /nfs/dbraw/zinc/07/06/57/603070657.db2.gz DTLPUXGQPMBWMR-UHFFFAOYSA-N -1 0 337.379 3.692 20 0 EHADRM Cc1cc(Cl)ccc1NC(=O)[C@H](CNC(=O)[O-])c1ccccc1 ZINC000740075806 603078420 /nfs/dbraw/zinc/07/84/20/603078420.db2.gz QHBRMXUHQXUOGV-CQSZACIVSA-N -1 0 332.787 3.638 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)[C@@H](CNC(=O)[O-])c1ccccc1 ZINC000740133107 603078846 /nfs/dbraw/zinc/07/88/46/603078846.db2.gz NTVVECZGFQENHR-AWEZNQCLSA-N -1 0 332.787 3.638 20 0 EHADRM CCC(CC)(CNC(=O)c1ccc(F)c(NC(=O)[O-])c1)SC ZINC000826552483 603087190 /nfs/dbraw/zinc/08/71/90/603087190.db2.gz JLBGSFCJHLHPDE-UHFFFAOYSA-N -1 0 328.409 3.567 20 0 EHADRM O=C([O-])NC1CCC(NC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000740555545 603090667 /nfs/dbraw/zinc/09/06/67/603090667.db2.gz PAEIAGDGDOSDLJ-UHFFFAOYSA-N -1 0 346.214 3.694 20 0 EHADRM CC(C)c1ccc([C@@H](C)NC(=O)NC2CCC(NC(=O)[O-])CC2)cc1 ZINC000738874301 603091364 /nfs/dbraw/zinc/09/13/64/603091364.db2.gz AJZGEYJEZSUENF-NVPAJSRCSA-N -1 0 347.459 3.749 20 0 EHADRM O=C([O-])NC1(C(=O)Nc2cccc(Nc3ccccc3)c2)CCCC1 ZINC000740543619 603114730 /nfs/dbraw/zinc/11/47/30/603114730.db2.gz XXRIKXPWIAUUDA-UHFFFAOYSA-N -1 0 339.395 3.949 20 0 EHADRM CC[C@@H]1c2ccccc2CCN1C(=O)CCCCCCNC(=O)[O-] ZINC000739279833 603133729 /nfs/dbraw/zinc/13/37/29/603133729.db2.gz ONPIZUVQSYCIIP-QGZVFWFLSA-N -1 0 332.444 3.741 20 0 EHADRM C[C@@H]1CC(NC(=O)Nc2ccccc2CN(C)C(=O)[O-])C[C@@H](C)C1 ZINC000739071530 603139940 /nfs/dbraw/zinc/13/99/40/603139940.db2.gz AUOFAXIEWUEUPE-STQMWFEESA-N -1 0 333.432 3.743 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@H](C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000740563256 603150645 /nfs/dbraw/zinc/15/06/45/603150645.db2.gz JMJPIZXGTAJYQF-IUCAKERBSA-N -1 0 331.199 3.758 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)Nc2ccc(-c3nccs3)cc2)C1 ZINC000740569061 603155427 /nfs/dbraw/zinc/15/54/27/603155427.db2.gz HERGRSUNZGIIOG-GXTWGEPZSA-N -1 0 345.424 3.575 20 0 EHADRM CC(C)c1cccc(NC(=O)COc2ccc(NC(=O)[O-])cc2)c1 ZINC000737647301 603157289 /nfs/dbraw/zinc/15/72/89/603157289.db2.gz PHVIKLLCZHXMGM-UHFFFAOYSA-N -1 0 328.368 3.917 20 0 EHADRM CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc(NC(=O)[O-])cc1 ZINC000827460431 603157331 /nfs/dbraw/zinc/15/73/31/603157331.db2.gz SGMKTTKPBUJJNR-GFCCVEGCSA-N -1 0 344.367 3.581 20 0 EHADRM CCc1cccc(C)c1NC(=O)COc1ccc(N(C)C(=O)[O-])cc1 ZINC000827596522 603157688 /nfs/dbraw/zinc/15/76/88/603157688.db2.gz VAFZDUIJILYATN-UHFFFAOYSA-N -1 0 342.395 3.689 20 0 EHADRM CN(C(=O)[O-])c1ccc(OCc2cn3cc(Cl)ccc3n2)cc1 ZINC000827922211 603158597 /nfs/dbraw/zinc/15/85/97/603158597.db2.gz ZIBVUDLYAJUPQV-UHFFFAOYSA-N -1 0 331.759 3.681 20 0 EHADRM CN(C(=O)Nc1ccc(NC(=O)[O-])cc1)[C@@H]1CCc2ccccc2C1 ZINC000737329382 603163756 /nfs/dbraw/zinc/16/37/56/603163756.db2.gz MNCVRGXCFHIXLK-QGZVFWFLSA-N -1 0 339.395 3.798 20 0 EHADRM CN(Cc1cccc2ccccc21)C(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739714843 603164650 /nfs/dbraw/zinc/16/46/50/603164650.db2.gz YMKYXYZVMFTKAI-DOTOQJQBSA-N -1 0 340.423 3.625 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)[C@H]2Cc3ccccc3S2)cc1 ZINC000825418083 603170546 /nfs/dbraw/zinc/17/05/46/603170546.db2.gz RZHGVPIXFWTAER-BDJLRTHQSA-N -1 0 342.420 3.671 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NCc2occc2Br)cc1 ZINC000825449785 603179259 /nfs/dbraw/zinc/17/92/59/603179259.db2.gz ZMAWLFUWLFVIST-SECBINFHSA-N -1 0 339.189 3.983 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)Cc2ccc3c(c2)CCC3)cc1 ZINC000825424006 603179267 /nfs/dbraw/zinc/17/92/67/603179267.db2.gz YLAUHIMBPHKHQT-ZDUSSCGKSA-N -1 0 338.407 3.685 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)c2c[nH]c(-c3ccccc3)n2)c1 ZINC000740704549 603197583 /nfs/dbraw/zinc/19/75/83/603197583.db2.gz PFEQBLLUGBGITA-UHFFFAOYSA-N -1 0 340.314 3.558 20 0 EHADRM O=C([O-])N[C@@H](CNc1ccc(C(F)(F)F)cn1)c1ccccc1 ZINC000832141023 603202511 /nfs/dbraw/zinc/20/25/11/603202511.db2.gz PTJDURQGMSYCMH-LBPRGKRZSA-N -1 0 325.290 3.521 20 0 EHADRM Cc1nc(Nc2ccc([C@@H](C)NC(=O)[O-])cc2)cc(-c2cccnc2)n1 ZINC000830774429 603207405 /nfs/dbraw/zinc/20/74/05/603207405.db2.gz HNHUGFSEKLEONX-GFCCVEGCSA-N -1 0 349.394 3.919 20 0 EHADRM COc1cccc([C@@H](C)NC(=O)c2ccc(NC(=O)[O-])cc2Cl)c1 ZINC000739946678 603214840 /nfs/dbraw/zinc/21/48/40/603214840.db2.gz XBUQREIRRCNPSF-SNVBAGLBSA-N -1 0 348.786 3.930 20 0 EHADRM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739051712 603215180 /nfs/dbraw/zinc/21/51/80/603215180.db2.gz FASGQWQMCVVFIY-MWLCHTKSSA-N -1 0 345.226 3.513 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2C(=O)Cc2ccc(NC(=O)[O-])cc2)o1 ZINC000740117557 603218641 /nfs/dbraw/zinc/21/86/41/603218641.db2.gz IQEGNFITLZNYTF-INIZCTEOSA-N -1 0 342.395 3.974 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2ccc3nccnc3c2)c(Cl)c1 ZINC000740700248 603224976 /nfs/dbraw/zinc/22/49/76/603224976.db2.gz CMNUHJIEPJUMOX-UHFFFAOYSA-N -1 0 342.742 3.625 20 0 EHADRM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)C2CCC(NC(=O)[O-])CC2)o1 ZINC000830284185 603230905 /nfs/dbraw/zinc/23/09/05/603230905.db2.gz ZQHQPLCCZFWLCU-TWRYWWQQSA-N -1 0 348.443 3.714 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CCN(C(=O)[O-])C(C)C)o1 ZINC000830281963 603231018 /nfs/dbraw/zinc/23/10/18/603231018.db2.gz NEBGQOOMGVHOQC-ZFWWWQNUSA-N -1 0 336.432 3.666 20 0 EHADRM CCN(CCC(F)(F)F)C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739414143 603235053 /nfs/dbraw/zinc/23/50/53/603235053.db2.gz DTICLFHSXTWASJ-UHFFFAOYSA-N -1 0 338.713 3.844 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=S)NCCc2cccs2)cc1 ZINC000825449532 603239529 /nfs/dbraw/zinc/23/95/29/603239529.db2.gz SUUIDBNRHVPTFJ-NSHDSACASA-N -1 0 349.481 3.606 20 0 EHADRM CSc1cccc(NC(=O)[C@H](C)[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000829772366 603240774 /nfs/dbraw/zinc/24/07/74/603240774.db2.gz VBVCKVWQYOSLOY-MLGOLLRUSA-N -1 0 344.436 3.992 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)C[C@@H]3CCCN3C(=O)[O-])c2)cs1 ZINC000830691110 603240805 /nfs/dbraw/zinc/24/08/05/603240805.db2.gz KRWCEKZPFCZFTO-AWEZNQCLSA-N -1 0 345.424 3.590 20 0 EHADRM Cc1cc(C)c(NC(=O)NC[C@H](NC(=O)[O-])c2ccccc2)c(C)c1 ZINC000829991198 603245740 /nfs/dbraw/zinc/24/57/40/603245740.db2.gz PKAHGTUUZBNOQU-INIZCTEOSA-N -1 0 341.411 3.742 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)C[C@H]3CCCN3C(=O)[O-])cc2)cs1 ZINC000830687687 603250616 /nfs/dbraw/zinc/25/06/16/603250616.db2.gz VVNASJLUOPFHIA-CQSZACIVSA-N -1 0 345.424 3.590 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)N[C@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000830472409 603252658 /nfs/dbraw/zinc/25/26/58/603252658.db2.gz PLNXFFJOSKXTPZ-HIFRSBDPSA-N -1 0 333.432 3.676 20 0 EHADRM C[C@H](C(=O)Nc1cnc2ccccc2c1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823725153 603271601 /nfs/dbraw/zinc/27/16/01/603271601.db2.gz XCSUKEWGIHHQPU-UGSOOPFHSA-N -1 0 349.390 3.818 20 0 EHADRM CSc1ccccc1NC(=O)[C@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000829772014 603277647 /nfs/dbraw/zinc/27/76/47/603277647.db2.gz LHIBUHUICIUYRO-MLGOLLRUSA-N -1 0 344.436 3.992 20 0 EHADRM O=C([O-])N1CCCN(C(=O)CCCc2ccccc2)c2ccccc21 ZINC000740515607 603298376 /nfs/dbraw/zinc/29/83/76/603298376.db2.gz IQFGYQLMOSWZHF-UHFFFAOYSA-N -1 0 338.407 3.931 20 0 EHADRM COc1cccc([C@@H](C)NC(=O)c2ccc(C)c(NC(=O)[O-])c2)c1 ZINC000829545146 603299793 /nfs/dbraw/zinc/29/97/93/603299793.db2.gz ZTWWKZCKOWTNCL-GFCCVEGCSA-N -1 0 328.368 3.585 20 0 EHADRM CC1(C)CCCN(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])CC1 ZINC000825715012 603301328 /nfs/dbraw/zinc/30/13/28/603301328.db2.gz SYTPGMUZFIMUKW-UHFFFAOYSA-N -1 0 331.416 3.771 20 0 EHADRM CCCCN(Cc1ccccc1F)C(=O)c1ccc(CNC(=O)[O-])o1 ZINC000826829384 603304901 /nfs/dbraw/zinc/30/49/01/603304901.db2.gz ABVJZSJOAUDKLX-UHFFFAOYSA-N -1 0 348.374 3.629 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(NC(=O)[O-])cc1)Oc1ccccc1F ZINC000824940447 603309925 /nfs/dbraw/zinc/30/99/25/603309925.db2.gz ZBFWKHLDHXKMCD-LLVKDONJSA-N -1 0 347.346 3.505 20 0 EHADRM Cc1ccc(C(=O)Nc2cccc(-c3cc[nH]n3)c2)cc1NC(=O)[O-] ZINC000830231041 603310731 /nfs/dbraw/zinc/31/07/31/603310731.db2.gz YLFTUANOOYSWQM-UHFFFAOYSA-N -1 0 336.351 3.727 20 0 EHADRM CCO[C@@H]1C[C@H](NC(=O)Nc2ccc(NC(=O)[O-])cc2)C12CCCC2 ZINC000827377844 603312935 /nfs/dbraw/zinc/31/29/35/603312935.db2.gz CETKOMMQNBWRNJ-LSDHHAIUSA-N -1 0 347.415 3.636 20 0 EHADRM CCO[C@H]1C[C@H](NC(=O)Nc2ccc(NC(=O)[O-])cc2)C12CCCC2 ZINC000827377839 603312957 /nfs/dbraw/zinc/31/29/57/603312957.db2.gz CETKOMMQNBWRNJ-GJZGRUSLSA-N -1 0 347.415 3.636 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NC2(c3ccccc3F)CC2)cc1 ZINC000738665032 603319173 /nfs/dbraw/zinc/31/91/73/603319173.db2.gz KJMJVDVOERBRKJ-UHFFFAOYSA-N -1 0 329.331 3.726 20 0 EHADRM CC(C)(CNC(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccccc1 ZINC000738750903 603329959 /nfs/dbraw/zinc/32/99/59/603329959.db2.gz PHJMGWPZEFYYGN-UHFFFAOYSA-N -1 0 341.411 3.554 20 0 EHADRM CCN(Cc1ccccc1NC(=O)NCc1ccccc1F)C(=O)[O-] ZINC000739443729 603352922 /nfs/dbraw/zinc/35/29/22/603352922.db2.gz SGTCCWINHPXKHA-UHFFFAOYSA-N -1 0 345.374 3.647 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1)NC(=O)[O-] ZINC000824584334 603357184 /nfs/dbraw/zinc/35/71/84/603357184.db2.gz YOOWXXJAOIRFID-CJNGLKHVSA-N -1 0 332.444 3.694 20 0 EHADRM CC1CCC(N(C)C(=O)Nc2cccc(CN(C)C(=O)[O-])c2)CC1 ZINC000739084063 603359467 /nfs/dbraw/zinc/35/94/67/603359467.db2.gz GYBJIIBXZDITBY-UHFFFAOYSA-N -1 0 333.432 3.839 20 0 EHADRM CCc1ccc(CNC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)s1 ZINC000827583819 603364797 /nfs/dbraw/zinc/36/47/97/603364797.db2.gz NCHGZFIUYZWREJ-LLVKDONJSA-N -1 0 347.440 3.961 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N(C)Cc2ccc(F)cc2)cc1 ZINC000825423042 603367652 /nfs/dbraw/zinc/36/76/52/603367652.db2.gz MJZYNHRNCPNLIY-GFCCVEGCSA-N -1 0 345.374 3.818 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N(C)Cc2ccc(F)cc2)cc1 ZINC000825423043 603367722 /nfs/dbraw/zinc/36/77/22/603367722.db2.gz MJZYNHRNCPNLIY-LBPRGKRZSA-N -1 0 345.374 3.818 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(C3CCCCC3)cc2)CC[C@H]1NC(=O)[O-] ZINC000739171998 603373258 /nfs/dbraw/zinc/37/32/58/603373258.db2.gz VYZNPEMRTGAFPC-KBXCAEBGSA-N -1 0 344.455 3.853 20 0 EHADRM O=C([O-])NC[C@H]1CCC[C@H]1NC(=S)Nc1ccc2ccccc2c1 ZINC000740622495 603376578 /nfs/dbraw/zinc/37/65/78/603376578.db2.gz CNODDAGCPOBHOO-GDBMZVCRSA-N -1 0 343.452 3.563 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N(C)Cc2ccsc2)cc1 ZINC000825423580 603382238 /nfs/dbraw/zinc/38/22/38/603382238.db2.gz RTKQMXAOAOIJSV-LLVKDONJSA-N -1 0 333.413 3.741 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N(C)[C@@H](C)c2ccccn2)cc1 ZINC000825423086 603385376 /nfs/dbraw/zinc/38/53/76/603385376.db2.gz NFDKHYBHRDNBHT-STQMWFEESA-N -1 0 342.399 3.635 20 0 EHADRM O=C([O-])NCCCC(=O)Nc1cccc(CSC2CCCC2)c1 ZINC000739959808 603388910 /nfs/dbraw/zinc/38/89/10/603388910.db2.gz CFCRGAWPPFHEKG-UHFFFAOYSA-N -1 0 336.457 3.849 20 0 EHADRM C[C@H](CC(=O)Nc1cccc(Cl)c1Oc1cccnc1)NC(=O)[O-] ZINC000824703398 603391981 /nfs/dbraw/zinc/39/19/81/603391981.db2.gz KIYJMXQXIQVFFE-SNVBAGLBSA-N -1 0 349.774 3.512 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739084542 603393223 /nfs/dbraw/zinc/39/32/23/603393223.db2.gz RDJQSIRWHQQRPM-DOMZBBRYSA-N -1 0 342.370 3.934 20 0 EHADRM CCCN(C(=O)C[C@@H](C)NC(=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000826856963 603393991 /nfs/dbraw/zinc/39/39/91/603393991.db2.gz HMZBMVCKKHPVFL-CHWSQXEVSA-N -1 0 332.400 3.779 20 0 EHADRM C[C@H](c1nc(-c2ccc(F)cc2)no1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000825644564 603406336 /nfs/dbraw/zinc/40/63/36/603406336.db2.gz GVNLBHWSQRTFNO-XHDPSFHLSA-N -1 0 341.342 3.988 20 0 EHADRM C[C@H](C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])c1cccc(F)c1 ZINC000738630613 603409916 /nfs/dbraw/zinc/40/99/16/603409916.db2.gz LHVOFBRPHYAMNH-NSHDSACASA-N -1 0 328.343 3.608 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@H](c2nc(Cc3cccc(Cl)c3)no2)C1 ZINC000832340079 603419767 /nfs/dbraw/zinc/41/97/67/603419767.db2.gz PYLGTYOMPKKSTJ-AAEUAGOBSA-N -1 0 335.791 3.608 20 0 EHADRM CC(C)[C@H](CC1CCCCC1)C(=O)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000738773704 603431374 /nfs/dbraw/zinc/43/13/74/603431374.db2.gz JRBMDXNRNIQWJO-SJORKVTESA-N -1 0 338.492 3.687 20 0 EHADRM CCCCS[C@@H](C)C(=O)N1CCCN(C(=O)[O-])c2ccccc21 ZINC000739341932 603431490 /nfs/dbraw/zinc/43/14/90/603431490.db2.gz PLADBTFTSGYAQB-ZDUSSCGKSA-N -1 0 336.457 3.830 20 0 EHADRM CCCc1ccccc1NC(=O)C[C@@H](Cc1ccccc1)NC(=O)[O-] ZINC000826953035 603467423 /nfs/dbraw/zinc/46/74/23/603467423.db2.gz ACJBQQPKSRFJFW-QGZVFWFLSA-N -1 0 340.423 3.847 20 0 EHADRM O=C([O-])N1CCC[C@@H](CCNC(=O)c2c(Cl)cccc2Cl)C1 ZINC000831659805 603491054 /nfs/dbraw/zinc/49/10/54/603491054.db2.gz PIYUMDAKUJECAW-JTQLQIEISA-N -1 0 345.226 3.503 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NC[C@@H]2SCCc3ccccc32)cc1 ZINC000832834453 603498208 /nfs/dbraw/zinc/49/82/08/603498208.db2.gz WZJWDOVVZRDQFF-INIZCTEOSA-N -1 0 342.420 3.537 20 0 EHADRM CCC[C@@H](C)N(C)C(=O)c1ccc2c(ccn2CCCNC(=O)[O-])c1 ZINC000826736985 603503644 /nfs/dbraw/zinc/50/36/44/603503644.db2.gz ZEEUHLMLJUIFTG-CQSZACIVSA-N -1 0 345.443 3.560 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N[C@H]1CCCC[C@@H]1C ZINC000829174168 603526653 /nfs/dbraw/zinc/52/66/53/603526653.db2.gz QLHVWKGLIMBNQF-CABZTGNLSA-N -1 0 340.807 3.747 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N[C@H](C)C1CCCC1 ZINC000829173305 603538707 /nfs/dbraw/zinc/53/87/07/603538707.db2.gz HOHSTALYQJVUBL-SECBINFHSA-N -1 0 340.807 3.747 20 0 EHADRM C[C@@H](NCc1ccc(NC(=O)[O-])nc1)c1nc2ccccc2s1 ZINC000825503861 603554499 /nfs/dbraw/zinc/55/44/99/603554499.db2.gz YNPIINZUMHAZGS-SNVBAGLBSA-N -1 0 328.397 3.632 20 0 EHADRM CCN(CC1CCN(C(=O)Nc2cc(C)ccc2C)CC1)C(=O)[O-] ZINC000827075493 603576713 /nfs/dbraw/zinc/57/67/13/603576713.db2.gz WRUIQMWWCLYTHT-UHFFFAOYSA-N -1 0 333.432 3.547 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000825861885 603584961 /nfs/dbraw/zinc/58/49/61/603584961.db2.gz ZNYLOUXMHHQQLT-XPKDYRNWSA-N -1 0 331.416 3.639 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)N(C)C2CCC(NC(=O)[O-])CC2)c(C)c1 ZINC000830250456 603632312 /nfs/dbraw/zinc/63/23/12/603632312.db2.gz CVCGHAQGLUXHIM-QQFBHYJXSA-N -1 0 347.459 3.585 20 0 EHADRM CC(C)c1ccc(CNC(=O)N(C)C2CCC(NC(=O)[O-])CC2)cc1 ZINC000824470179 603634730 /nfs/dbraw/zinc/63/47/30/603634730.db2.gz MTWJUROLYJUCEJ-UHFFFAOYSA-N -1 0 347.459 3.530 20 0 EHADRM C[C@H](CCOc1ccccc1)C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000824809742 603635583 /nfs/dbraw/zinc/63/55/83/603635583.db2.gz JKLVOUBIJKWFMD-CYBMUJFWSA-N -1 0 329.352 3.787 20 0 EHADRM Cc1ccc(NC(=O)[O-])c(OCC(=O)Nc2cccc(C)c2C)c1 ZINC000830390373 603640891 /nfs/dbraw/zinc/64/08/91/603640891.db2.gz OLFDKXXVASWSSP-UHFFFAOYSA-N -1 0 328.368 3.719 20 0 EHADRM Cc1ccc2c(c1)N(C(=O)c1ccc(C)c(NC(=O)[O-])c1)C[C@@H](C)O2 ZINC000830445435 603679463 /nfs/dbraw/zinc/67/94/63/603679463.db2.gz HAJUAIBXPRVRIE-CYBMUJFWSA-N -1 0 340.379 3.821 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc(C2(c3cccc(Cl)c3)CC2)n1 ZINC000824901116 603769659 /nfs/dbraw/zinc/76/96/59/603769659.db2.gz DZMGLEFRVLOWLX-SNVBAGLBSA-N -1 0 335.791 3.516 20 0 EHADRM CC[C@H]1CC[C@@H](C(=O)Nc2ccc(NC(=O)[O-])cc2C(F)(F)F)O1 ZINC000826661545 603797974 /nfs/dbraw/zinc/79/79/74/603797974.db2.gz RUZGVYSUSQKSBF-CABZTGNLSA-N -1 0 346.305 3.691 20 0 EHADRM O=C([O-])NC1CCC(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)CC1 ZINC000832247188 603824250 /nfs/dbraw/zinc/82/42/50/603824250.db2.gz NZSJUSQJKNMYSJ-PREGVCBESA-N -1 0 348.418 3.706 20 0 EHADRM Cc1ccc([C@@H](C)N(C)C(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc1 ZINC000830250712 603835984 /nfs/dbraw/zinc/83/59/84/603835984.db2.gz IXSMRWNETOWAJI-DUZACMNTSA-N -1 0 344.455 3.826 20 0 EHADRM Cc1ccccc1-c1cnc(COC(=O)CCC(C)(C)NC(=O)[O-])o1 ZINC000830544739 603840807 /nfs/dbraw/zinc/84/08/07/603840807.db2.gz DKCZKHQQQXYZTB-UHFFFAOYSA-N -1 0 346.383 3.520 20 0 EHADRM CC(C)[C@H](CCN(C)[C@@H](C)c1ncc(C(C)(C)C)o1)NC(=O)[O-] ZINC000824100623 603852946 /nfs/dbraw/zinc/85/29/46/603852946.db2.gz XQHAANHCRLTBBE-STQMWFEESA-N -1 0 325.453 3.647 20 0 EHADRM CSCc1ccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc1 ZINC000829754636 603876603 /nfs/dbraw/zinc/87/66/03/603876603.db2.gz PWPYPOLZMIJYGR-VHRNVKJDSA-N -1 0 348.468 3.799 20 0 EHADRM CCC(CC)(CNC(=S)Nc1cccc(Cl)c1C)NC(=O)[O-] ZINC000826561370 603880774 /nfs/dbraw/zinc/88/07/74/603880774.db2.gz XBQTVAHTFZGYDE-UHFFFAOYSA-N -1 0 343.880 3.761 20 0 EHADRM CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000826633251 603882099 /nfs/dbraw/zinc/88/20/99/603882099.db2.gz VHSYCWPJONQQOG-AWEZNQCLSA-N -1 0 332.331 3.712 20 0 EHADRM O=C([O-])N1CCC[C@@H](C(=O)Nc2ccc(CCC(F)(F)F)cc2)C1 ZINC000831758194 603886829 /nfs/dbraw/zinc/88/68/29/603886829.db2.gz VCHQADPYNMLOSP-GFCCVEGCSA-N -1 0 344.333 3.510 20 0 EHADRM COc1cccc([C@H](C)CC(=O)Nc2cccc(CNC(=O)[O-])c2)c1 ZINC000829543557 603891301 /nfs/dbraw/zinc/89/13/01/603891301.db2.gz MMBQLBLYYKDIPA-CYBMUJFWSA-N -1 0 342.395 3.595 20 0 EHADRM COc1ccc(C(=O)Nc2cccc3c2CCN3C(=O)[O-])c(Cl)c1 ZINC000829283975 603952884 /nfs/dbraw/zinc/95/28/84/603952884.db2.gz CIOJQKXJBKHAFE-UHFFFAOYSA-N -1 0 346.770 3.641 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)[C@H]1CSc2ccccc21 ZINC000831792809 603958219 /nfs/dbraw/zinc/95/82/19/603958219.db2.gz AYLCWYGDCZTPGT-ZDUSSCGKSA-N -1 0 340.404 3.555 20 0 EHADRM O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)Nc1ccc(Cl)cc1F)C2 ZINC000831307924 603968743 /nfs/dbraw/zinc/96/87/43/603968743.db2.gz KYHCNKBURHSPSV-CLYYMRHHSA-N -1 0 340.782 3.729 20 0 EHADRM C[C@@H](Cc1cccs1)NC(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000825031190 603983461 /nfs/dbraw/zinc/98/34/61/603983461.db2.gz SHPBZNIBFMLUIO-NSHDSACASA-N -1 0 345.424 3.541 20 0 EHADRM C[C@H](Cc1cccs1)NC(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000825031189 603983543 /nfs/dbraw/zinc/98/35/43/603983543.db2.gz SHPBZNIBFMLUIO-LLVKDONJSA-N -1 0 345.424 3.541 20 0 EHADRM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)cc1 ZINC000830281351 603989259 /nfs/dbraw/zinc/98/92/59/603989259.db2.gz FMZMGRXSQTUSFP-BGTYHANMSA-N -1 0 344.455 3.731 20 0 EHADRM CSc1ccncc1NC(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000829777967 604036907 /nfs/dbraw/zinc/03/69/07/604036907.db2.gz PKEARKLMBICIPS-CYBMUJFWSA-N -1 0 345.424 3.531 20 0 EHADRM CN(Cc1ccccc1NC(=O)/C=C\SCc1ccco1)C(=O)[O-] ZINC000828393513 604042614 /nfs/dbraw/zinc/04/26/14/604042614.db2.gz LZWZKSGGDJYLRK-NTMALXAHSA-N -1 0 346.408 3.775 20 0 EHADRM CN(Cc1ccccc1NC(=O)/C=C/SCc1ccco1)C(=O)[O-] ZINC000828393512 604042695 /nfs/dbraw/zinc/04/26/95/604042695.db2.gz LZWZKSGGDJYLRK-CSKARUKUSA-N -1 0 346.408 3.775 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)/C=C/SCc2ccco2)cc1 ZINC000825418545 604043259 /nfs/dbraw/zinc/04/32/59/604043259.db2.gz USZAQUBJTMLCLL-ZJNQMXKESA-N -1 0 346.408 3.994 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000832069618 604138655 /nfs/dbraw/zinc/13/86/55/604138655.db2.gz MXAGMCQWKHRDSX-WFASDCNBSA-N -1 0 329.400 3.524 20 0 EHADRM C[C@@H](OC(=O)c1ccc(CNC(=O)[O-])o1)c1nc2ccccc2s1 ZINC000825601939 604229936 /nfs/dbraw/zinc/22/99/36/604229936.db2.gz FDVIMLAXJIBDOA-SECBINFHSA-N -1 0 346.364 3.575 20 0 EHADRM C[C@H](OC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)c1ccccc1C(F)(F)F ZINC000825550799 604239372 /nfs/dbraw/zinc/23/93/72/604239372.db2.gz DBNIKPJLMCHSTI-AXFHLTTASA-N -1 0 345.317 3.746 20 0 EHADRM C[C@@H](CC1CCCC1)C(=O)N1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000824759727 604243223 /nfs/dbraw/zinc/24/32/23/604243223.db2.gz OUGDDWONJLFDQJ-AWEZNQCLSA-N -1 0 336.476 3.584 20 0 EHADRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000825235028 604251575 /nfs/dbraw/zinc/25/15/75/604251575.db2.gz BDTFGWRQNQLMJS-ZJUUUORDSA-N -1 0 345.226 3.502 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000832845318 604266961 /nfs/dbraw/zinc/26/69/61/604266961.db2.gz WESIPTQCBBVPHZ-GFCCVEGCSA-N -1 0 336.391 3.974 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)NCc1ccc(-c2ccc(Cl)cc2)cc1F ZINC000827296467 604274925 /nfs/dbraw/zinc/27/49/25/604274925.db2.gz UMBUOTPDFNVRTR-NSHDSACASA-N -1 0 349.789 3.873 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1c(C)[nH]c(C(=O)[O-])c1C ZINC000832905556 604285402 /nfs/dbraw/zinc/28/54/02/604285402.db2.gz HEVWTQRTDHSVBT-CYBMUJFWSA-N -1 0 344.411 3.675 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCC(C)(C)c1ccccc1Cl ZINC000738166647 604304734 /nfs/dbraw/zinc/30/47/34/604304734.db2.gz QUDIPVRWYRUYFQ-UHFFFAOYSA-N -1 0 348.830 3.691 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)Nc2ccccc2Cl)cc1 ZINC000825389967 604308844 /nfs/dbraw/zinc/30/88/44/604308844.db2.gz YZYQLKZNNQEOCY-NSHDSACASA-N -1 0 347.802 3.990 20 0 EHADRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])cs2)c(C)n1CC(F)(F)F ZINC000683330203 604313744 /nfs/dbraw/zinc/31/37/44/604313744.db2.gz LSPJVIXGGZCFKN-UHFFFAOYSA-N -1 0 346.330 3.679 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC2(c3ccc(Cl)cc3)CC2)cc1F ZINC000833129596 604314639 /nfs/dbraw/zinc/31/46/39/604314639.db2.gz PHQSHUVNWXBDHN-UHFFFAOYSA-N -1 0 333.746 3.596 20 0 EHADRM CCOc1cc(Cl)ccc1NC(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000827418562 604315268 /nfs/dbraw/zinc/31/52/68/604315268.db2.gz PBFKFNHXUKWNFK-UHFFFAOYSA-N -1 0 348.786 3.759 20 0 EHADRM CCOCc1cccc(NC(=O)C[C@H](C)[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000827410400 604328174 /nfs/dbraw/zinc/32/81/74/604328174.db2.gz ZBNHIVFPDHKWAQ-GOEBONIOSA-N -1 0 348.443 3.578 20 0 EHADRM C[C@H](NCc1ccc(C(=O)[O-])o1)c1nc(-c2ccccc2)cs1 ZINC000827741956 604332689 /nfs/dbraw/zinc/33/26/89/604332689.db2.gz YGPOUCJWDHHUFJ-NSHDSACASA-N -1 0 328.393 3.952 20 0 EHADRM CCOc1cc(Cl)ccc1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000830049635 604338414 /nfs/dbraw/zinc/33/84/14/604338414.db2.gz LDYFEXILNKWRNR-UHFFFAOYSA-N -1 0 337.734 3.828 20 0 EHADRM Cc1cc(Cn2cnc(SCc3ccc(C)cc3)n2)oc1C(=O)[O-] ZINC000832934419 604354002 /nfs/dbraw/zinc/35/40/02/604354002.db2.gz OSBHTHYNKZPCOU-UHFFFAOYSA-N -1 0 343.408 3.527 20 0 EHADRM Cc1cc([C@H](C)N2C[C@@H](c3ccccc3)O[C@@H](C)C2)oc1C(=O)[O-] ZINC000516932722 604383485 /nfs/dbraw/zinc/38/34/85/604383485.db2.gz ZYAGWJIIENLOOS-ZQIUZPCESA-N -1 0 329.396 3.809 20 0 EHADRM CCOc1cccc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c1 ZINC000830099717 604386420 /nfs/dbraw/zinc/38/64/20/604386420.db2.gz LXHYPDFTLVCLPV-KRWDZBQOSA-N -1 0 341.407 3.667 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)Cc1ccccc1Cl)c1ccccc1 ZINC000826090645 604388355 /nfs/dbraw/zinc/38/83/55/604388355.db2.gz VMMKBJKXQNPVTK-QGZVFWFLSA-N -1 0 345.826 3.851 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1cccc2[nH]ccc21)c1ccccc1 ZINC000826105422 604390920 /nfs/dbraw/zinc/39/09/20/604390920.db2.gz CXMWXJYGDXNTQI-KRWDZBQOSA-N -1 0 336.391 3.750 20 0 EHADRM C[C@@H]1CCC[C@H](OCC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000828244817 604392372 /nfs/dbraw/zinc/39/23/72/604392372.db2.gz DFRPNQFFPSPQMM-HFTRVMKXSA-N -1 0 347.455 3.550 20 0 EHADRM Cc1cc(OCc2cn(-c3ccc(Cl)cc3)nn2)c(C(=O)[O-])s1 ZINC000832900544 604405912 /nfs/dbraw/zinc/40/59/12/604405912.db2.gz DZHFNYWUFNGPSZ-UHFFFAOYSA-N -1 0 349.799 3.568 20 0 EHADRM O=C([O-])N1CCC(N(C(=O)c2ccc3sccc3c2)C2CC2)CC1 ZINC000831934454 604433398 /nfs/dbraw/zinc/43/33/98/604433398.db2.gz JKUDVZNTXVKREK-UHFFFAOYSA-N -1 0 344.436 3.648 20 0 EHADRM CCO[C@@H](CC(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-])C(C)C ZINC000827372992 604456178 /nfs/dbraw/zinc/45/61/78/604456178.db2.gz TUNSRCFVLAIVAQ-INIZCTEOSA-N -1 0 334.416 3.507 20 0 EHADRM CN(Cc1coc(-c2cccc(Cl)c2)n1)C1(C(=O)[O-])CCCC1 ZINC000324051284 604460367 /nfs/dbraw/zinc/46/03/67/604460367.db2.gz YLGCWZWMBDUNFK-UHFFFAOYSA-N -1 0 334.803 3.824 20 0 EHADRM CC(C)(CCC(=O)Oc1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC000833456822 604495251 /nfs/dbraw/zinc/49/52/51/604495251.db2.gz CASDOCRUSRQDPE-UHFFFAOYSA-N -1 0 326.392 3.977 20 0 EHADRM O=C([O-])c1csc(NC(=O)N(CCc2cccc(F)c2)C2CC2)c1 ZINC000833340975 604499317 /nfs/dbraw/zinc/49/93/17/604499317.db2.gz OAVRHPYXMCPGBZ-UHFFFAOYSA-N -1 0 348.399 3.824 20 0 EHADRM C[C@@H](NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])C1CCCC1 ZINC000827660095 604500226 /nfs/dbraw/zinc/50/02/26/604500226.db2.gz WQTHUGGNOPPUCU-CZUORRHYSA-N -1 0 332.444 3.716 20 0 EHADRM O=C([O-])c1csc(NC(=O)NCCSCc2ccccc2)c1 ZINC000833143111 604500818 /nfs/dbraw/zinc/50/08/18/604500818.db2.gz FMWKGMTYERFQBR-UHFFFAOYSA-N -1 0 336.438 3.501 20 0 EHADRM CCS[C@H]1CCC[C@H](NC(=O)Nc2cc(C(=O)[O-])cs2)C1 ZINC000830157343 604502452 /nfs/dbraw/zinc/50/24/52/604502452.db2.gz IWTZOBWDMAOWBN-QWRGUYRKSA-N -1 0 328.459 3.632 20 0 EHADRM CC(C)(CNC(=O)Nc1cc(C(=O)[O-])cs1)c1ccccc1F ZINC000826585333 604505583 /nfs/dbraw/zinc/50/55/83/604505583.db2.gz MFWNFIXRLOERJG-UHFFFAOYSA-N -1 0 336.388 3.685 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1cc(-c2ccccn2)ccc1Cl ZINC000263272103 604510716 /nfs/dbraw/zinc/51/07/16/604510716.db2.gz PKJUYRDZYISSCH-UHFFFAOYSA-N -1 0 346.814 3.727 20 0 EHADRM COc1ccc(CCCN(C)C(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000832300103 604516721 /nfs/dbraw/zinc/51/67/21/604516721.db2.gz YSAUEKGYOWZXRU-UHFFFAOYSA-N -1 0 348.424 3.551 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1cc(-c2ccccn2)ccc1Cl)C(=O)[O-] ZINC000683306178 604521679 /nfs/dbraw/zinc/52/16/79/604521679.db2.gz AHQFFGBCRVIDST-HNNXBMFYSA-N -1 0 346.814 3.631 20 0 EHADRM Cc1cc(C(=O)N2CCOc3c(C(=O)[O-])cccc32)c(Cl)cc1F ZINC000833742182 604528233 /nfs/dbraw/zinc/52/82/33/604528233.db2.gz HFBYIJSNXMCQID-UHFFFAOYSA-N -1 0 349.745 3.525 20 0 EHADRM Cc1occc1CN(C)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833029803 604538085 /nfs/dbraw/zinc/53/80/85/604538085.db2.gz JHWZPSKTOYCIHC-MRXNPFEDSA-N -1 0 344.411 3.582 20 0 EHADRM CCC(CC)n1ccc(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)n1 ZINC000828870084 604554815 /nfs/dbraw/zinc/55/48/15/604554815.db2.gz KUKMOXSMMVJFJZ-UHFFFAOYSA-N -1 0 344.415 3.606 20 0 EHADRM CC1=C(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)CCCO1 ZINC000833575845 604560717 /nfs/dbraw/zinc/56/07/17/604560717.db2.gz NFHLCHWMKBPBJK-KRWDZBQOSA-N -1 0 345.439 3.701 20 0 EHADRM CC(C)[C@@H](C(=O)NC[C@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1 ZINC000833466409 604561365 /nfs/dbraw/zinc/56/13/65/604561365.db2.gz YKAXFYBABMBZFF-ZWKOTPCHSA-N -1 0 343.398 3.550 20 0 EHADRM C/C(=C/c1ccccc1Cl)C(=O)N(C)c1ncc(C(=O)[O-])s1 ZINC000833387198 604566004 /nfs/dbraw/zinc/56/60/04/604566004.db2.gz WPPIQDOCTAYMQU-CLFYSBASSA-N -1 0 336.800 3.561 20 0 EHADRM COc1cccc([C@H](C)C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)c1 ZINC000832528755 604572088 /nfs/dbraw/zinc/57/20/88/604572088.db2.gz PTTPOHCZAXEJHE-RYUDHWBXSA-N -1 0 332.352 3.703 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2c[nH]c3cc(F)ccc32)oc1C(=O)[O-] ZINC000832873019 604573044 /nfs/dbraw/zinc/57/30/44/604573044.db2.gz YWBWRVXJWMALAB-VIFPVBQESA-N -1 0 331.299 3.825 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2ccc3ncccc3c2)oc1C(=O)[O-] ZINC000832877389 604575872 /nfs/dbraw/zinc/57/58/72/604575872.db2.gz XYTIONKRQACUJF-LLVKDONJSA-N -1 0 325.320 3.752 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)c1occc1CSc1ccccc1 ZINC000262918494 604586051 /nfs/dbraw/zinc/58/60/51/604586051.db2.gz KGFUJMACCNJHTD-CQSZACIVSA-N -1 0 345.420 3.651 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)[C@H]2CSc3ccccc32)oc1C(=O)[O-] ZINC000832873984 604588044 /nfs/dbraw/zinc/58/80/44/604588044.db2.gz JGLZOKUJNFKGTF-PWSUYJOCSA-N -1 0 332.377 3.780 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000262968375 604591781 /nfs/dbraw/zinc/59/17/81/604591781.db2.gz OLZKTRLNXZFOIX-OAHLLOKOSA-N -1 0 345.345 3.711 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000262819565 604599563 /nfs/dbraw/zinc/59/95/63/604599563.db2.gz AJSHCRYOYKSAPW-AWEZNQCLSA-N -1 0 337.375 3.974 20 0 EHADRM C[C@@H]1CCC[C@H](NC(=O)Nc2cccc(SCCC(=O)[O-])c2)C1 ZINC000833607440 604602383 /nfs/dbraw/zinc/60/23/83/604602383.db2.gz FTTHTLGBRAAFQV-OLZOCXBDSA-N -1 0 336.457 3.954 20 0 EHADRM CC1(C)C[C@@H](NC(=O)N2CCC(CCC(=O)[O-])CC2)c2ccccc21 ZINC000659399976 604624999 /nfs/dbraw/zinc/62/49/99/604624999.db2.gz JROWBASUYGUACG-QGZVFWFLSA-N -1 0 344.455 3.695 20 0 EHADRM C[C@H](CN(C)c1nc(-c2cccs2)nc2ccccc21)C(=O)[O-] ZINC000827442528 604625533 /nfs/dbraw/zinc/62/55/33/604625533.db2.gz PQPSFFHAJJQJSB-LLVKDONJSA-N -1 0 327.409 3.515 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000833212950 604626377 /nfs/dbraw/zinc/62/63/77/604626377.db2.gz CCWNBMYCPYVGBB-GFCCVEGCSA-N -1 0 345.424 3.645 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000833212952 604626511 /nfs/dbraw/zinc/62/65/11/604626511.db2.gz CCWNBMYCPYVGBB-LBPRGKRZSA-N -1 0 345.424 3.645 20 0 EHADRM CC1(C)C[C@@H](NC(=O)CCCCCCNC(=O)[O-])c2ccccc2O1 ZINC000825706088 604638343 /nfs/dbraw/zinc/63/83/43/604638343.db2.gz DSBRUGUWGRAHSQ-OAHLLOKOSA-N -1 0 348.443 3.623 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cccc(-c2c(F)cccc2F)c1)C1CC1 ZINC000833773570 604643696 /nfs/dbraw/zinc/64/36/96/604643696.db2.gz XUEYOMHHBQIKNZ-INIZCTEOSA-N -1 0 345.345 3.615 20 0 EHADRM CCC(CC)n1nccc1C(=O)N(CC)c1ccccc1C(=O)[O-] ZINC000828874387 604658009 /nfs/dbraw/zinc/65/80/09/604658009.db2.gz FZCDTUPVIRSENE-UHFFFAOYSA-N -1 0 329.400 3.609 20 0 EHADRM C[C@H](c1ccccc1)N(C)C(=O)C[C@H](C)C1CCN(C(=O)[O-])CC1 ZINC000824552492 604662551 /nfs/dbraw/zinc/66/25/51/604662551.db2.gz QXBQVEAXRDPJEB-LSDHHAIUSA-N -1 0 332.444 3.622 20 0 EHADRM C[C@@H](Oc1ccc(CN(Cc2ccccc2)CC(F)F)cc1)C(=O)[O-] ZINC000833537894 604665124 /nfs/dbraw/zinc/66/51/24/604665124.db2.gz PYMMGEMGGGJEAA-CQSZACIVSA-N -1 0 349.377 3.806 20 0 EHADRM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CCc1ccccc1C(=O)[O-] ZINC000262201591 604673527 /nfs/dbraw/zinc/67/35/27/604673527.db2.gz ORDLGIMOGDBXEG-GFCCVEGCSA-N -1 0 347.361 3.815 20 0 EHADRM CC(C)C[C@H](NC(=O)Cc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000347361560 604674403 /nfs/dbraw/zinc/67/44/03/604674403.db2.gz IEDQXANWHHQKII-SFHVURJKSA-N -1 0 325.408 3.831 20 0 EHADRM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000539675318 604678520 /nfs/dbraw/zinc/67/85/20/604678520.db2.gz OSLBGFGTFNTDRS-ZDUSSCGKSA-N -1 0 337.375 3.893 20 0 EHADRM CC(C)Oc1cccc([C@@H](C)NC(=O)Cc2cccc(C(=O)[O-])c2)c1 ZINC000262131592 604706865 /nfs/dbraw/zinc/70/68/65/604706865.db2.gz KWXZKMDTEYRCNQ-CQSZACIVSA-N -1 0 341.407 3.592 20 0 EHADRM CCOc1cc(-c2nc3cc(C(=O)[O-])ccc3n2C)cc(Cl)c1O ZINC000833661693 604712923 /nfs/dbraw/zinc/71/29/23/604712923.db2.gz VJOIOEOBIRGSBJ-UHFFFAOYSA-N -1 0 346.770 3.696 20 0 EHADRM C[C@@H](Nc1cccc(C(=O)[O-])n1)c1cccc(OC(F)(F)F)c1 ZINC000833526824 604716604 /nfs/dbraw/zinc/71/66/04/604716604.db2.gz VZOZFOVEJVHIIK-SECBINFHSA-N -1 0 326.274 3.852 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N[C@H]1CCc2c1cccc2Cl ZINC000262255630 604720282 /nfs/dbraw/zinc/72/02/82/604720282.db2.gz WBDIDWGWIFJUKV-KRWDZBQOSA-N -1 0 343.810 3.775 20 0 EHADRM C/C(=C/c1cccc(Cl)c1)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000833385884 604740388 /nfs/dbraw/zinc/74/03/88/604740388.db2.gz JHDBWRDWKQCLCV-GHXNOFRVSA-N -1 0 341.794 3.984 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000262720326 604742618 /nfs/dbraw/zinc/74/26/18/604742618.db2.gz DROMGHDYZGSJMO-RQJABVFESA-N -1 0 333.403 3.551 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN(C(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC000537475379 604746657 /nfs/dbraw/zinc/74/66/57/604746657.db2.gz LFRWTKPLBDJQNI-OAQYLSRUSA-N -1 0 337.419 3.508 20 0 EHADRM CC(C)COC(=O)Nc1cccc(NCc2ccoc2C(=O)[O-])c1 ZINC000833488608 604774653 /nfs/dbraw/zinc/77/46/53/604774653.db2.gz BZTDKICMUGHXJX-UHFFFAOYSA-N -1 0 332.356 3.794 20 0 EHADRM CN(C(=O)[O-])c1ccc(NCc2cn3cc(Cl)ccc3n2)cc1 ZINC000833686133 604775679 /nfs/dbraw/zinc/77/56/79/604775679.db2.gz YUYWVAQAMHDZSX-UHFFFAOYSA-N -1 0 330.775 3.714 20 0 EHADRM C[C@H]1CN(C(=O)Cc2ccccc2C(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000262250937 604787486 /nfs/dbraw/zinc/78/74/86/604787486.db2.gz VMDKDQGNRBFVEM-YJBOKZPZSA-N -1 0 337.419 3.580 20 0 EHADRM CC(C)(C)OC(=O)c1ccc(C(=O)Nc2sccc2C(=O)[O-])cc1 ZINC000833444385 604798736 /nfs/dbraw/zinc/79/87/36/604798736.db2.gz BSUZKGXVWDGXFT-UHFFFAOYSA-N -1 0 347.392 3.654 20 0 EHADRM C[C@H](CC(=O)N1CCc2ccc(C(=O)[O-])cc2C1)C1CCCCC1 ZINC000262094418 604814326 /nfs/dbraw/zinc/81/43/26/604814326.db2.gz DDWYBINLWIMVMC-CQSZACIVSA-N -1 0 329.440 3.876 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000679097801 604814848 /nfs/dbraw/zinc/81/48/48/604814848.db2.gz NNIRHLBRJXIQPL-CQSZACIVSA-N -1 0 337.419 3.636 20 0 EHADRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])s1)c1c(F)cc(F)cc1F ZINC000827854258 604820542 /nfs/dbraw/zinc/82/05/42/604820542.db2.gz UBTRLIXPZDYXCC-ZCFIWIBFSA-N -1 0 330.283 3.782 20 0 EHADRM CCOc1ccc(Nc2nc(Cl)c(C(=O)[O-])s2)cc1OC ZINC000833662942 604821981 /nfs/dbraw/zinc/82/19/81/604821981.db2.gz NSSXVPSCPDIQAP-UHFFFAOYSA-N -1 0 328.777 3.646 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)cc1F ZINC000833308976 604823199 /nfs/dbraw/zinc/82/31/99/604823199.db2.gz IFXDMNRXVFOPBW-ZDUSSCGKSA-N -1 0 347.773 3.807 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(C(=O)[O-])c(F)c2)CC[C@H]1c1ccccc1 ZINC000828395464 604826230 /nfs/dbraw/zinc/82/62/30/604826230.db2.gz XQAGEQCCSDPKPV-XJKSGUPXSA-N -1 0 341.382 3.790 20 0 EHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000761392787 604835363 /nfs/dbraw/zinc/83/53/63/604835363.db2.gz PQQBHSHNRUUHML-HVJHFUJKSA-N -1 0 343.810 3.555 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N1CC[C@@H](C)C2(CCC2)C1)C(=O)[O-] ZINC000833545081 604836256 /nfs/dbraw/zinc/83/62/56/604836256.db2.gz CZOCGOJTRXDPLA-ZIAGYGMSSA-N -1 0 347.480 3.904 20 0 EHADRM C[C@@H](c1nc(-c2ccccc2)no1)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000582365730 604843696 /nfs/dbraw/zinc/84/36/96/604843696.db2.gz IWOAOQRTLBCTDY-ZDUSSCGKSA-N -1 0 349.390 3.554 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2cc3ccccc3o2)cc1Cl ZINC000238009778 604845797 /nfs/dbraw/zinc/84/57/97/604845797.db2.gz CWHRNKPPHIWWSS-UHFFFAOYSA-N -1 0 345.738 3.802 20 0 EHADRM CC(C)C[C@@H](C)CC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000236741629 604846372 /nfs/dbraw/zinc/84/63/72/604846372.db2.gz SFMIPMFXOWSZOQ-LLVKDONJSA-N -1 0 327.808 3.814 20 0 EHADRM CC(C)(C)C1=CCN(C(=O)Nc2ccc(CNC(=O)[O-])cc2)CC1 ZINC000833428234 604855333 /nfs/dbraw/zinc/85/53/33/604855333.db2.gz WZZJXGGGTLZMLK-UHFFFAOYSA-N -1 0 331.416 3.664 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000669434863 604860376 /nfs/dbraw/zinc/86/03/76/604860376.db2.gz LVQURBLKBCVSPU-WMLDXEAASA-N -1 0 345.439 3.719 20 0 EHADRM O=C([O-])CCN(C(=O)[C@H]1CCCc2sccc21)c1cccc(F)c1 ZINC000833232019 604866971 /nfs/dbraw/zinc/86/69/71/604866971.db2.gz IQCHTTGQNVMGGZ-HNNXBMFYSA-N -1 0 347.411 3.815 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(c2ncnc3c4ccccc4oc32)C1 ZINC000649405984 604870493 /nfs/dbraw/zinc/87/04/93/604870493.db2.gz XNXIKSJMMZUUKN-LBPRGKRZSA-N -1 0 339.395 3.703 20 0 EHADRM C[C@@H]1CCC[C@@H](C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)C1 ZINC000345807097 604870619 /nfs/dbraw/zinc/87/06/19/604870619.db2.gz PQPXRSARZAAWTJ-GLXFQSAKSA-N -1 0 327.783 3.547 20 0 EHADRM O=C([O-])C1(CNC(=O)c2ccc(Cl)c(C(F)(F)F)c2)CCCC1 ZINC000833766827 604877417 /nfs/dbraw/zinc/87/74/17/604877417.db2.gz POEATXKSVRCARS-UHFFFAOYSA-N -1 0 349.736 3.734 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000611478734 604878575 /nfs/dbraw/zinc/87/85/75/604878575.db2.gz YUJRMGQWZMJOLT-ZBFHGGJFSA-N -1 0 349.496 3.658 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)O[C@H]1COc2ccccc21)C(=O)[O-] ZINC000833546058 604878657 /nfs/dbraw/zinc/87/86/57/604878657.db2.gz XWWVEZMQZYMYOZ-ABAIWWIYSA-N -1 0 344.388 3.542 20 0 EHADRM Cc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)c(C)n1C(C)C ZINC000236709767 604880006 /nfs/dbraw/zinc/88/00/06/604880006.db2.gz VSIWIQFQPUYKQD-QGZVFWFLSA-N -1 0 328.412 3.632 20 0 EHADRM C[C@H]1CCc2sc(C(=O)N[C@@H](CC(=O)[O-])c3ccccc3)cc2C1 ZINC000013224807 604880336 /nfs/dbraw/zinc/88/03/36/604880336.db2.gz DVWLRLASYOMOOW-WFASDCNBSA-N -1 0 343.448 3.819 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CCC2)C1 ZINC000679102891 604880773 /nfs/dbraw/zinc/88/07/73/604880773.db2.gz JRRVTSIEJSHUAV-OAHLLOKOSA-N -1 0 347.430 3.597 20 0 EHADRM C[C@@H](CC(=O)N1Cc2ccccc2[C@@H]1C)C1CCN(C(=O)[O-])CC1 ZINC000824604433 604881794 /nfs/dbraw/zinc/88/17/94/604881794.db2.gz DJKKGRXXLBCYLM-KBPBESRZSA-N -1 0 330.428 3.506 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cc3c(s2)CCCC3)C1 ZINC000321722291 604885156 /nfs/dbraw/zinc/88/51/56/604885156.db2.gz RGWDRZZCEJMFNT-ZDUSSCGKSA-N -1 0 335.469 3.590 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2ccc3sccc3c2)C1 ZINC000386193122 604888061 /nfs/dbraw/zinc/88/80/61/604888061.db2.gz CGLZJXCDFHMLBZ-AWEZNQCLSA-N -1 0 331.437 3.864 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2ccccc2OC2CCC2)C1 ZINC000679101310 604889994 /nfs/dbraw/zinc/88/99/94/604889994.db2.gz JPQBILOUZNXVDL-AWEZNQCLSA-N -1 0 345.439 3.581 20 0 EHADRM O=C([O-])c1cncc(NC(=O)C2(c3cccs3)CCCCC2)c1 ZINC000833337341 604906788 /nfs/dbraw/zinc/90/67/88/604906788.db2.gz DXNYLUMVFGYDAM-UHFFFAOYSA-N -1 0 330.409 3.682 20 0 EHADRM CCC(=O)c1cccc(NC(=O)Nc2ccc(CNC(=O)[O-])cc2)c1 ZINC000828580428 604907012 /nfs/dbraw/zinc/90/70/12/604907012.db2.gz IPAFMOWPFBBORT-UHFFFAOYSA-N -1 0 341.367 3.691 20 0 EHADRM CCC(=O)c1cccc(NC(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])c1 ZINC000828580740 604907016 /nfs/dbraw/zinc/90/70/16/604907016.db2.gz SBWKGNPFPMVCEF-HOTGVXAUSA-N -1 0 346.427 3.824 20 0 EHADRM C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000828252488 604919953 /nfs/dbraw/zinc/91/99/53/604919953.db2.gz UELJKRGUCNNXAQ-GWCFXTLKSA-N -1 0 340.807 3.504 20 0 EHADRM CCC[C@H](CC)NC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000829216193 604925302 /nfs/dbraw/zinc/92/53/02/604925302.db2.gz JVULNLBNRCMZAN-JTQLQIEISA-N -1 0 328.796 3.504 20 0 EHADRM CSc1ccc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)o1 ZINC000237306753 604932658 /nfs/dbraw/zinc/93/26/58/604932658.db2.gz GDUWAZJTHXCUTO-UHFFFAOYSA-N -1 0 333.409 3.509 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1cc(Cl)ccc1F ZINC000237945631 604934973 /nfs/dbraw/zinc/93/49/73/604934973.db2.gz NBNHBCPUPRUDEG-UHFFFAOYSA-N -1 0 349.789 3.986 20 0 EHADRM C[C@]1(NC(=O)/C=C\c2ccc(Cl)s2)CCCC[C@@H]1C(=O)[O-] ZINC000762230970 604955194 /nfs/dbraw/zinc/95/51/94/604955194.db2.gz NCVDPYUHUDLVRD-AFGUYDBFSA-N -1 0 327.833 3.564 20 0 EHADRM CC(C)C[C@@H](NC(=O)[C@H](C)NC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000833482503 604967897 /nfs/dbraw/zinc/96/78/97/604967897.db2.gz FGKCQCCXQSTEAZ-GXFFZTMASA-N -1 0 346.349 3.565 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000326934708 604973334 /nfs/dbraw/zinc/97/33/34/604973334.db2.gz UMJDZOCUYKVKQH-DOTOQJQBSA-N -1 0 344.455 3.596 20 0 EHADRM Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)OC(=O)[C@H](C)NC(=O)[O-] ZINC000740092574 604981433 /nfs/dbraw/zinc/98/14/33/604981433.db2.gz MFUGGZODTGDECV-NWDGAFQWSA-N -1 0 348.424 3.687 20 0 EHADRM CC(C)c1ccc(-c2nc(COc3cccc(C(=O)[O-])c3)no2)cn1 ZINC000827112740 604984080 /nfs/dbraw/zinc/98/40/80/604984080.db2.gz NWSUZNORUUPWKK-UHFFFAOYSA-N -1 0 339.351 3.532 20 0 EHADRM CC[C@H](C)[C@@H]1CCCCN1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000828737693 604987195 /nfs/dbraw/zinc/98/71/95/604987195.db2.gz LWADYQIAZZUEIP-AAEUAGOBSA-N -1 0 339.461 3.593 20 0 EHADRM CC(C)CC(C)(C)CNC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000391171918 604987642 /nfs/dbraw/zinc/98/76/42/604987642.db2.gz GGZXHTMRLUVYQS-CQSZACIVSA-N -1 0 326.481 3.591 20 0 EHADRM O=C([O-])[C@@H](Nc1cccc(NC(=O)c2ccccc2)c1)c1cccnc1 ZINC000833159958 604993884 /nfs/dbraw/zinc/99/38/84/604993884.db2.gz OFUGCXKPDROUSG-SFHVURJKSA-N -1 0 347.374 3.572 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)C/C=C\c2cccc(F)c2)C1 ZINC000679102641 604995101 /nfs/dbraw/zinc/99/51/01/604995101.db2.gz CNXMOZFXADHVNK-QZDDGCDVSA-N -1 0 333.403 3.578 20 0 EHADRM Cc1cc(N[C@@H](C(=O)[O-])c2cccnc2)ccc1Oc1cccnc1 ZINC000832896827 604996262 /nfs/dbraw/zinc/99/62/62/604996262.db2.gz GNEGMKDLSQPBFU-GOSISDBHSA-N -1 0 335.363 3.815 20 0 EHADRM CCc1nc(NC(=O)[C@H](C)c2ccc(CC)cc2)sc1C(=O)[O-] ZINC000833671200 604998697 /nfs/dbraw/zinc/99/86/97/604998697.db2.gz SUBWJPRJKBGBRS-SNVBAGLBSA-N -1 0 332.425 3.708 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2ccc3c(n2)CCCC3)cc1 ZINC000561450055 605008007 /nfs/dbraw/zinc/00/80/07/605008007.db2.gz BVPMMCXWMMCOSH-UHFFFAOYSA-N -1 0 338.407 3.575 20 0 EHADRM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000833616242 605020019 /nfs/dbraw/zinc/02/00/19/605020019.db2.gz AMIROBGLPVSSBR-ORAYPTAESA-N -1 0 338.407 3.759 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)c1cncc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000833422977 605029033 /nfs/dbraw/zinc/02/90/33/605029033.db2.gz DUTPDJHTTGFGIX-MRXNPFEDSA-N -1 0 344.386 3.826 20 0 EHADRM C[C@H](C(=O)Nc1ccc(OCCC(=O)[O-])cc1)c1c(F)cccc1F ZINC000833409925 605030291 /nfs/dbraw/zinc/03/02/91/605030291.db2.gz SSLDZXXPUXOFDP-NSHDSACASA-N -1 0 349.333 3.561 20 0 EHADRM CC(C)c1ccccc1NC(=O)[C@H](C)OC(=O)CC(C)(C)CC(=O)[O-] ZINC000833528412 605032216 /nfs/dbraw/zinc/03/22/16/605032216.db2.gz JFAQZFNQSGSCQY-ZDUSSCGKSA-N -1 0 349.427 3.571 20 0 EHADRM CC(C)n1cccc1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000833513766 605039644 /nfs/dbraw/zinc/03/96/44/605039644.db2.gz QHWTWLBGUJLQHT-UHFFFAOYSA-N -1 0 338.310 3.621 20 0 EHADRM C[C@@H](CC(=O)N(CC(=O)[O-])Cc1ccccc1)c1ccc(F)cc1F ZINC000431460977 605054062 /nfs/dbraw/zinc/05/40/62/605054062.db2.gz YCYUGCZDTXONEH-ZDUSSCGKSA-N -1 0 347.361 3.572 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)OCc1ccccc1CC(=O)[O-] ZINC000833544900 605054847 /nfs/dbraw/zinc/05/48/47/605054847.db2.gz BIWUWUGWVZZXQU-CQSZACIVSA-N -1 0 344.432 3.679 20 0 EHADRM CC(C)[C@H]1C[C@H](CC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CCO1 ZINC000833471277 605074692 /nfs/dbraw/zinc/07/46/92/605074692.db2.gz NIEBNOSDHHNIBH-IAQYHMDHSA-N -1 0 339.819 3.818 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NCc1nc(C(F)(F)F)cs1)c1ccccc1 ZINC000833408885 605076798 /nfs/dbraw/zinc/07/67/98/605076798.db2.gz YXWDEMAWXJATSI-NOZJJQNGSA-N -1 0 344.358 3.714 20 0 EHADRM C[C@H](CC(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC000191520078 605083869 /nfs/dbraw/zinc/08/38/69/605083869.db2.gz SIORLNGAZRXZBX-VQIMIIECSA-N -1 0 339.435 3.773 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CC(C)(C)CC(=O)[O-])C2CC2)o1 ZINC000190614972 605099729 /nfs/dbraw/zinc/09/97/29/605099729.db2.gz OZWWKTURCPAHQL-DOMZBBRYSA-N -1 0 333.428 3.785 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2ccc(Nc3ccccc3)nc2)CC1 ZINC000833772390 605109601 /nfs/dbraw/zinc/10/96/01/605109601.db2.gz YILWHYFIWTTXPN-UHFFFAOYSA-N -1 0 339.395 3.655 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N(Cc1cccs1)CC(F)(F)F ZINC000833451659 605110073 /nfs/dbraw/zinc/11/00/73/605110073.db2.gz ULBFKPNSVGMXHV-UHFFFAOYSA-N -1 0 337.363 3.530 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2ccc(COC3CCCC3)cc2)CC1 ZINC000194418804 605111270 /nfs/dbraw/zinc/11/12/70/605111270.db2.gz MTQCRBUBJXKEHV-UHFFFAOYSA-N -1 0 345.439 3.975 20 0 EHADRM CC(C)(C)Oc1cc(F)ccc1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833447160 605136849 /nfs/dbraw/zinc/13/68/49/605136849.db2.gz CRQFWPRJUNBXNK-NEPJUHHUSA-N -1 0 337.391 3.833 20 0 EHADRM C[C@H]1CC[C@H](C(=O)Nc2nc(-c3ccccc3)c(CC(=O)[O-])s2)C1 ZINC000833604911 605141270 /nfs/dbraw/zinc/14/12/70/605141270.db2.gz ICGILXJSIFZAJL-AAEUAGOBSA-N -1 0 344.436 3.812 20 0 EHADRM Cc1[nH]c2c(cc(C)cc2CNC(=O)C2CCC(C(=O)[O-])CC2)c1C ZINC000262757140 605148059 /nfs/dbraw/zinc/14/80/59/605148059.db2.gz ZEIBKILPMHRLBT-UHFFFAOYSA-N -1 0 342.439 3.600 20 0 EHADRM Cc1cccc(-c2nnc(S[C@H](CC(C)(C)C)C(=O)[O-])n2C)c1 ZINC000833751949 605150857 /nfs/dbraw/zinc/15/08/57/605150857.db2.gz BAEVPDYBCJMMSB-CYBMUJFWSA-N -1 0 333.457 3.772 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)C1 ZINC000833601589 605154042 /nfs/dbraw/zinc/15/40/42/605154042.db2.gz MGGWKIYCNSYHMG-OLZOCXBDSA-N -1 0 327.380 3.678 20 0 EHADRM Cc1nc(C2CCCCC2)sc1C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000833755368 605154295 /nfs/dbraw/zinc/15/42/95/605154295.db2.gz KPIVMDBWIWTRFF-UHFFFAOYSA-N -1 0 345.424 3.845 20 0 EHADRM Cc1c(C(=O)[O-])csc1NC(=O)COc1ccc(Cl)cc1C ZINC000833744791 605158199 /nfs/dbraw/zinc/15/81/99/605158199.db2.gz PGLHRQCTDCDBOG-UHFFFAOYSA-N -1 0 339.800 3.734 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)Nc2cncc(C(=O)[O-])c2)cc1 ZINC000833491902 605167033 /nfs/dbraw/zinc/16/70/33/605167033.db2.gz AFBVZUCXUIEIOE-ZDUSSCGKSA-N -1 0 326.396 3.721 20 0 EHADRM CCOc1ccc(NC(=O)NC2(CC(=O)[O-])CCCCC2)c(C)c1 ZINC000833663670 605170084 /nfs/dbraw/zinc/17/00/84/605170084.db2.gz ZTAXZLAILPDRGA-UHFFFAOYSA-N -1 0 334.416 3.693 20 0 EHADRM Cc1nc(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)cc(C2CC2)n1 ZINC000830773568 605170873 /nfs/dbraw/zinc/17/08/73/605170873.db2.gz AABWFSZZFLUBGX-UHFFFAOYSA-N -1 0 346.774 3.658 20 0 EHADRM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000320467165 605180698 /nfs/dbraw/zinc/18/06/98/605180698.db2.gz PYJRBWCTZVAQIE-JTQLQIEISA-N -1 0 333.775 3.658 20 0 EHADRM CCc1ccc(CN(C(=O)Nc2cncc(C(=O)[O-])c2)C2CC2)cc1 ZINC000833670457 605180803 /nfs/dbraw/zinc/18/08/03/605180803.db2.gz PHUBTQRFODDOGT-UHFFFAOYSA-N -1 0 339.395 3.539 20 0 EHADRM CC(C)(C)SCCCC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC000833447551 605181502 /nfs/dbraw/zinc/18/15/02/605181502.db2.gz TZNAGOACPZFPGC-UHFFFAOYSA-N -1 0 335.429 3.512 20 0 EHADRM CCC(CC)n1ccc(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)n1 ZINC000826576693 605215440 /nfs/dbraw/zinc/21/54/40/605215440.db2.gz YDCJDJQRFDPEOC-LBPRGKRZSA-N -1 0 344.415 3.825 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)c1cccc([C@H]2CCCOC2)c1)C(=O)[O-] ZINC000833429381 605230951 /nfs/dbraw/zinc/23/09/51/605230951.db2.gz KGYBYWIBBKXCLV-HOTGVXAUSA-N -1 0 334.412 3.627 20 0 EHADRM Cc1ccc(-c2nc(C(=O)O[C@H](CC(C)(C)C)C(=O)[O-])cs2)o1 ZINC000833746693 605231500 /nfs/dbraw/zinc/23/15/00/605231500.db2.gz NSWILIMJLDUJEX-GFCCVEGCSA-N -1 0 337.397 3.758 20 0 EHADRM CC(C)Oc1ccccc1[C@@H](C)NC(=O)Cc1ccccc1C(=O)[O-] ZINC000392801637 605233368 /nfs/dbraw/zinc/23/33/68/605233368.db2.gz XEWYCLRBTWITEB-CQSZACIVSA-N -1 0 341.407 3.592 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)c1cc(-c2cccc(F)c2)no1)C(=O)[O-] ZINC000833428640 605236635 /nfs/dbraw/zinc/23/66/35/605236635.db2.gz VWWLTEYDBMTRMV-CQSZACIVSA-N -1 0 335.331 3.527 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000833430185 605237123 /nfs/dbraw/zinc/23/71/23/605237123.db2.gz USYIYPMCBPYTFL-NSHDSACASA-N -1 0 347.180 3.634 20 0 EHADRM Cc1ccc(NC(=O)C2CC2)cc1NCCC1CCN(C(=O)[O-])CC1 ZINC000830363725 605237872 /nfs/dbraw/zinc/23/78/72/605237872.db2.gz JDPPCTWSJYWAON-UHFFFAOYSA-N -1 0 345.443 3.536 20 0 EHADRM CC(C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1C(=O)[O-] ZINC000833496255 605239783 /nfs/dbraw/zinc/23/97/83/605239783.db2.gz CAWVGENDLNFDRE-UHFFFAOYSA-N -1 0 329.371 3.504 20 0 EHADRM CCCC(=O)Nc1cccc(NCc2ccc(NC(=O)[O-])nc2)c1C ZINC000826706169 605240464 /nfs/dbraw/zinc/24/04/64/605240464.db2.gz NRZZXGDLWUHCFE-UHFFFAOYSA-N -1 0 342.399 3.831 20 0 EHADRM CN(Cc1ccccc1NCc1occc1Br)C(=O)[O-] ZINC000828400150 605246375 /nfs/dbraw/zinc/24/63/75/605246375.db2.gz RLPUGWFMOPQBCA-UHFFFAOYSA-N -1 0 339.189 3.764 20 0 EHADRM Cn1ccnc1-c1cccc(NCc2cccc3c2N(C(=O)[O-])CC3)c1 ZINC000831030791 605247303 /nfs/dbraw/zinc/24/73/03/605247303.db2.gz GTHQUSWUHNQABS-UHFFFAOYSA-N -1 0 348.406 3.740 20 0 EHADRM COc1ccc(CCCCCC(=O)Nc2ccc(C(=O)[O-])nc2)cc1 ZINC000833731883 605256007 /nfs/dbraw/zinc/25/60/07/605256007.db2.gz OZYLVVQTUQFWJP-UHFFFAOYSA-N -1 0 342.395 3.530 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC000683317977 605257491 /nfs/dbraw/zinc/25/74/91/605257491.db2.gz CJOVHIMSBZILGM-KBXCAEBGSA-N -1 0 343.398 3.727 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000833642090 605257732 /nfs/dbraw/zinc/25/77/32/605257732.db2.gz YUJDVUZFDKXLAT-JKSUJKDBSA-N -1 0 349.475 3.706 20 0 EHADRM CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)c2cc(C(=O)[O-])no2)cc1 ZINC000833449875 605263343 /nfs/dbraw/zinc/26/33/43/605263343.db2.gz DCKHBLSQVSRIBY-HNNXBMFYSA-N -1 0 342.395 3.648 20 0 EHADRM CC(C)N(Cc1ccccn1)C(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833498296 605281502 /nfs/dbraw/zinc/28/15/02/605281502.db2.gz LWWKWTVXBQIPQB-UHFFFAOYSA-N -1 0 346.362 3.753 20 0 EHADRM CCc1ccc(CNC(=O)Nc2ccc(NC(=O)[O-])c(F)c2)s1 ZINC000833669382 605282376 /nfs/dbraw/zinc/28/23/76/605282376.db2.gz FWRHQFZFGNXJAX-UHFFFAOYSA-N -1 0 337.376 3.861 20 0 EHADRM CC(C)(NC(=O)Nc1ccc(NC(=O)[O-])c(F)c1)c1ccccc1 ZINC000833459672 605282819 /nfs/dbraw/zinc/28/28/19/605282819.db2.gz DABSOBVVYWBOTG-UHFFFAOYSA-N -1 0 331.347 3.972 20 0 EHADRM Cc1ccc(-c2nc(Cn3nc(C(=O)[O-])c4c3CCCC4)cs2)o1 ZINC000833746726 605297044 /nfs/dbraw/zinc/29/70/44/605297044.db2.gz PBKFDCBMBZBTLW-UHFFFAOYSA-N -1 0 343.408 3.533 20 0 EHADRM C[C@H](SCc1noc(CCCC(=O)[O-])n1)c1nc2ccccc2o1 ZINC000833545435 605297608 /nfs/dbraw/zinc/29/76/08/605297608.db2.gz HZNCTSDCPZAUJY-JTQLQIEISA-N -1 0 347.396 3.613 20 0 EHADRM C[C@@H](Oc1cccc(Cl)c1)C(=O)OCc1ccc(NC(=O)[O-])cc1 ZINC000833541005 605305108 /nfs/dbraw/zinc/30/51/08/605305108.db2.gz PEJFLUHCHCBZEM-LLVKDONJSA-N -1 0 349.770 3.941 20 0 EHADRM CC(C)[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000833468232 605312345 /nfs/dbraw/zinc/31/23/45/605312345.db2.gz DABWEDLHDFIDCT-MFKMUULPSA-N -1 0 331.334 3.630 20 0 EHADRM CC[C@@H]1CN(C(=O)C[C@H](c2ccccc2)C(C)C)CC[C@@H]1NC(=O)[O-] ZINC000833849975 605340780 /nfs/dbraw/zinc/34/07/80/605340780.db2.gz UQVRXNPUYXHOMJ-NJAFHUGGSA-N -1 0 346.471 3.711 20 0 EHADRM CC(C)CCC(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000236688518 605377872 /nfs/dbraw/zinc/37/78/72/605377872.db2.gz IMXNDBQDYBPOBL-CYBMUJFWSA-N -1 0 342.233 3.517 20 0 EHADRM C[C@H]1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C[C@@H]1F ZINC000833616633 605390921 /nfs/dbraw/zinc/39/09/21/605390921.db2.gz YDCMYGDQLBZQCS-NHYWBVRUSA-N -1 0 334.416 3.688 20 0 EHADRM CC1(C)C[C@H](NC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C(C)(C)O1 ZINC000833556363 605395995 /nfs/dbraw/zinc/39/59/95/605395995.db2.gz UHWUREJXZFSOPB-LBPRGKRZSA-N -1 0 340.807 3.506 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CC[C@@H](C(C)(C)C)C1)C(=O)[O-] ZINC000833546675 605440304 /nfs/dbraw/zinc/44/03/04/605440304.db2.gz UCHGHCOBPKMNFB-QWHCGFSZSA-N -1 0 335.469 3.760 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N1CC[C@H](C(C)(C)C)C1)C(=O)[O-] ZINC000833546672 605440370 /nfs/dbraw/zinc/44/03/70/605440370.db2.gz UCHGHCOBPKMNFB-OLZOCXBDSA-N -1 0 335.469 3.760 20 0 EHADRM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)Nc1cc(Cl)ccc1Cl ZINC000825829609 605468601 /nfs/dbraw/zinc/46/86/01/605468601.db2.gz CDYVXRYRNBFDJH-WCBMZHEXSA-N -1 0 346.214 3.646 20 0 EHADRM C[C@H](CSCc1ccccc1)c1nc(C[C@H](C)N(C)C(=O)[O-])no1 ZINC000825015596 605475336 /nfs/dbraw/zinc/47/53/36/605475336.db2.gz HPHXAQZABXMFDI-OLZOCXBDSA-N -1 0 349.456 3.647 20 0 EHADRM Cc1ccc2cc(C(=O)Nc3ccc4c(c3)CCN4C(=O)[O-])ccc2n1 ZINC000830453429 605531394 /nfs/dbraw/zinc/53/13/94/605531394.db2.gz IRKUSJIZMNKEGC-UHFFFAOYSA-N -1 0 347.374 3.836 20 0 EHADRM CC(C)c1ncc(C(=O)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)s1 ZINC000824495142 605532407 /nfs/dbraw/zinc/53/24/07/605532407.db2.gz GXEWNHKCXMRBCJ-LLVKDONJSA-N -1 0 347.440 3.525 20 0 EHADRM Cc1c(C(=O)OCc2cccc(NC(=O)[O-])c2)oc2c1C(=O)CCC2 ZINC000829855062 605542545 /nfs/dbraw/zinc/54/25/45/605542545.db2.gz OZNJPCNCKKUTAX-UHFFFAOYSA-N -1 0 343.335 3.554 20 0 EHADRM C[C@H]1C[C@H](C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)CC(C)(C)C1 ZINC000262965665 605613901 /nfs/dbraw/zinc/61/39/01/605613901.db2.gz OXMXZYQCKFVCAQ-BBRMVZONSA-N -1 0 329.440 3.732 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cccc([C@H]3CCOC3)c2)cc1 ZINC000834262843 605637817 /nfs/dbraw/zinc/63/78/17/605637817.db2.gz WEVNKWODQGCUFW-AWEZNQCLSA-N -1 0 326.352 3.533 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NC2CCC(F)(F)CC2)c(Cl)c1 ZINC000834255726 605642526 /nfs/dbraw/zinc/64/25/26/605642526.db2.gz ILMJTPMFXBYJAS-UHFFFAOYSA-N -1 0 332.734 3.738 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)c2cccc([C@@H]3CCOC3)c2)c1 ZINC000834261715 605642636 /nfs/dbraw/zinc/64/26/36/605642636.db2.gz NMXUYQHFZKAHQK-CYBMUJFWSA-N -1 0 344.342 3.672 20 0 EHADRM C[C@@H](CCC(=O)N1CCC(CCN(C)C(=O)[O-])CC1)c1ccccc1 ZINC000833802189 605646336 /nfs/dbraw/zinc/64/63/36/605646336.db2.gz BJABNNJRUFIDIF-INIZCTEOSA-N -1 0 346.471 3.809 20 0 EHADRM Cc1ncc(-c2ccc(N[C@H](C)[C@H]3CCCN(C(=O)[O-])C3)cc2)o1 ZINC000833915979 605658532 /nfs/dbraw/zinc/65/85/32/605658532.db2.gz SREOFVYBZYKIPE-DOMZBBRYSA-N -1 0 329.400 3.840 20 0 EHADRM Cc1cccc2c1OCC[C@H]2NC(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000829939469 605660907 /nfs/dbraw/zinc/66/09/07/605660907.db2.gz FSBOJYFKMDHUHT-MRXNPFEDSA-N -1 0 340.379 3.647 20 0 EHADRM CCCCn1ncc(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)c1C ZINC000826853614 605664869 /nfs/dbraw/zinc/66/48/69/605664869.db2.gz PBYIFPXPFSAKPR-LBPRGKRZSA-N -1 0 344.415 3.573 20 0 EHADRM Cc1nc(C(C)C)sc1[C@H](C)OC(=O)C1CCN(C(=O)[O-])CC1 ZINC000833912813 605667345 /nfs/dbraw/zinc/66/73/45/605667345.db2.gz PKDFNUUJIGUNCL-NSHDSACASA-N -1 0 340.445 3.569 20 0 EHADRM CCCO[C@@H]1CCCN(C(=O)c2ccc(NC(=O)[O-])c(C)c2)CC1 ZINC000826934397 605682458 /nfs/dbraw/zinc/68/24/58/605682458.db2.gz CHBRIZMSLHNIJU-OAHLLOKOSA-N -1 0 334.416 3.506 20 0 EHADRM Cc1cc(C(=O)N(C)[C@H]2CCc3ccccc3C2)ccc1NC(=O)[O-] ZINC000829914241 605690748 /nfs/dbraw/zinc/69/07/48/605690748.db2.gz CKOISXDOPIZPQA-KRWDZBQOSA-N -1 0 338.407 3.714 20 0 EHADRM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000833604793 605709602 /nfs/dbraw/zinc/70/96/02/605709602.db2.gz GUOIOLZDXSERGU-ZJUUUORDSA-N -1 0 345.321 3.971 20 0 EHADRM COc1cc(F)c(NC(=O)c2ccc(NC(=O)[O-])c(C)c2)cc1F ZINC000829142895 605711036 /nfs/dbraw/zinc/71/10/36/605711036.db2.gz UTCCCOVWIHRRJB-UHFFFAOYSA-N -1 0 336.294 3.624 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1cc(Cc2ccccc2)ccc1O ZINC000833455723 605715103 /nfs/dbraw/zinc/71/51/03/605715103.db2.gz QMIQAWGJJZCJPD-UHFFFAOYSA-N -1 0 341.407 3.813 20 0 EHADRM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccsc1C(=O)[O-] ZINC000833606497 605716087 /nfs/dbraw/zinc/71/60/87/605716087.db2.gz QJPZPHWQSBVCCC-JGVFFNPUSA-N -1 0 336.335 3.641 20 0 EHADRM O=C([O-])N1CCCCC[C@H]1c1noc(-c2cnc(C3CC3)s2)n1 ZINC000834108684 605721105 /nfs/dbraw/zinc/72/11/05/605721105.db2.gz ORGRYBXEHVBIQJ-JTQLQIEISA-N -1 0 334.401 3.666 20 0 EHADRM CCCc1sc(C(=O)N2CC[C@@H](NC(=O)[O-])C[C@@H]2C)cc1CC ZINC000826959865 605748480 /nfs/dbraw/zinc/74/84/80/605748480.db2.gz WIHAMMDSFZYQEB-WCQYABFASA-N -1 0 338.473 3.524 20 0 EHADRM CC(C)(C)c1cc(C(=O)N2CC[C@H](C(=O)[O-])C2)cc(C(C)(C)C)c1O ZINC000263583160 605751794 /nfs/dbraw/zinc/75/17/94/605751794.db2.gz ZNUYUTWRIGLCSJ-LBPRGKRZSA-N -1 0 347.455 3.534 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N2CCc3c(Cl)cccc3C2)c1 ZINC000834264470 605770325 /nfs/dbraw/zinc/77/03/25/605770325.db2.gz FITJJKVGHKZHIS-UHFFFAOYSA-N -1 0 344.798 3.557 20 0 EHADRM CC(C)N(C)C(=O)[C@H](C)SCc1cc(C(=O)[O-])ccc1Cl ZINC000833541588 605788319 /nfs/dbraw/zinc/78/83/19/605788319.db2.gz CFWPPCDNYKZZSC-JTQLQIEISA-N -1 0 329.849 3.527 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)[C@H]2CCc3c2cccc3Cl)c(F)c1 ZINC000833776383 605805046 /nfs/dbraw/zinc/80/50/46/605805046.db2.gz IBVZIAKDAWSFPG-ZDUSSCGKSA-N -1 0 348.757 3.742 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N2CCCSc3ccccc32)c1 ZINC000834265897 605809002 /nfs/dbraw/zinc/80/90/02/605809002.db2.gz TUMGDXIPXASHLW-UHFFFAOYSA-N -1 0 342.420 3.848 20 0 EHADRM CC(C)(C)c1ncc(C(=O)OCc2cc(C(=O)[O-])ccc2F)s1 ZINC000833450812 605812981 /nfs/dbraw/zinc/81/29/81/605812981.db2.gz KIBFQIJQUIWNME-UHFFFAOYSA-N -1 0 337.372 3.635 20 0 EHADRM CC(C)(C)Oc1ccncc1NC(=O)Cc1cccc(NC(=O)[O-])c1 ZINC000833791814 605816379 /nfs/dbraw/zinc/81/63/79/605816379.db2.gz WOHPKRQSIPKBSM-UHFFFAOYSA-N -1 0 343.383 3.530 20 0 EHADRM CCCN(C(=O)c1cc2ccccc2s1)C1CCN(C(=O)[O-])CC1 ZINC000826884803 605816893 /nfs/dbraw/zinc/81/68/93/605816893.db2.gz WWLIIQRBECOOHA-UHFFFAOYSA-N -1 0 346.452 3.896 20 0 EHADRM O=C([O-])Nc1cc2ccccc2cc1C(=O)N1CCc2ncccc2C1 ZINC000834256107 605840275 /nfs/dbraw/zinc/84/02/75/605840275.db2.gz LJGDIZDAWPOVDS-UHFFFAOYSA-N -1 0 347.374 3.523 20 0 EHADRM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000825800273 605864657 /nfs/dbraw/zinc/86/46/57/605864657.db2.gz CPJCTJQCCODJAE-YNVCXSHYSA-N -1 0 348.487 3.630 20 0 EHADRM CCOc1cc(NC(=O)c2sc(NC(=O)[O-])nc2C)ccc1C ZINC000833861801 605943099 /nfs/dbraw/zinc/94/30/99/605943099.db2.gz NVMIUQQMGWHGOT-UHFFFAOYSA-N -1 0 335.385 3.501 20 0 EHADRM O=C([O-])N1CCC(CCC(=O)Nc2cccc3ccc(O)cc32)CC1 ZINC000833990226 605981207 /nfs/dbraw/zinc/98/12/07/605981207.db2.gz BGIXYGWBKXHUKG-UHFFFAOYSA-N -1 0 342.395 3.654 20 0 EHADRM CN(Cc1ccc(Cl)s1)C(=O)CCC1CCN(C(=O)[O-])CC1 ZINC000833874683 606001675 /nfs/dbraw/zinc/00/16/75/606001675.db2.gz WEXWGBRPYBELCT-UHFFFAOYSA-N -1 0 344.864 3.530 20 0 EHADRM CCN(CCC(F)(F)F)C(=O)Nc1cc(NC(=O)[O-])ccc1C ZINC000833857405 606011644 /nfs/dbraw/zinc/01/16/44/606011644.db2.gz KWUHSOGMRNECFE-UHFFFAOYSA-N -1 0 333.310 3.891 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)Nc2cccnc2-c2ccccc2)C1 ZINC000834167213 606024783 /nfs/dbraw/zinc/02/47/83/606024783.db2.gz AVPIPBUHGIGDSR-HUUCEWRRSA-N -1 0 339.395 3.514 20 0 EHADRM CC(C)CCc1ccccc1NC(=O)[C@@H](CC(F)F)NC(=O)[O-] ZINC000833795289 606026064 /nfs/dbraw/zinc/02/60/64/606026064.db2.gz VJRDBEHUMOCUEX-CYBMUJFWSA-N -1 0 328.359 3.505 20 0 EHADRM O=C([O-])N1CCCN(C(=O)CCCc2ccsc2)c2ccccc21 ZINC000834102964 606026908 /nfs/dbraw/zinc/02/69/08/606026908.db2.gz HSFXKYDASVGOGU-UHFFFAOYSA-N -1 0 344.436 3.992 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)[C@H](c3ccccc3)C3CC3)ccc21 ZINC000834052657 606033375 /nfs/dbraw/zinc/03/33/75/606033375.db2.gz IQPWKQQYEYIHAC-GOSISDBHSA-N -1 0 336.391 3.859 20 0 EHADRM O=C([O-])Nc1cccc(OC[C@@H](O)c2cccc(C(F)(F)F)c2)c1 ZINC000834268410 606040745 /nfs/dbraw/zinc/04/07/45/606040745.db2.gz PLGSUQCTFYUXOZ-CQSZACIVSA-N -1 0 341.285 3.908 20 0 EHADRM CC(C)COc1ccccc1NC(=O)Cc1ccccc1NC(=O)[O-] ZINC000833795900 606049487 /nfs/dbraw/zinc/04/94/87/606049487.db2.gz AMZGQCFVNNMRSR-UHFFFAOYSA-N -1 0 342.395 3.993 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)Nc1nc2ccsc2s1 ZINC000834272422 606063278 /nfs/dbraw/zinc/06/32/78/606063278.db2.gz CKFLERAYGPJUTN-UHFFFAOYSA-N -1 0 333.394 3.629 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N(CC1CCC1)CC(F)(F)F ZINC000834270972 606067866 /nfs/dbraw/zinc/06/78/66/606067866.db2.gz OPUNBXONRSRJOK-UHFFFAOYSA-N -1 0 344.333 3.510 20 0 EHADRM O=C([O-])C1(NC(=O)c2cc(F)c(Cl)cc2Cl)CCCCC1 ZINC000037419278 939031388 /nfs/dbraw/zinc/03/13/88/939031388.db2.gz YHJXGHCWVMZIRS-UHFFFAOYSA-N -1 0 334.174 3.650 20 0 EHADRM O=C(/C=C/c1cccs1)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000191487640 939038618 /nfs/dbraw/zinc/03/86/18/939038618.db2.gz XUWKXKZDNPANHH-BBVFFXRHSA-N -1 0 337.400 3.857 20 0 EHADRM Cc1cc([C@@H](NC(=O)Nc2ccc3c(c2)CCC3)C(=O)[O-])ccc1F ZINC000684742107 939043580 /nfs/dbraw/zinc/04/35/80/939043580.db2.gz NQWOMUJSAAEKKI-QGZVFWFLSA-N -1 0 342.370 3.570 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)C(=O)N[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000236800902 939044174 /nfs/dbraw/zinc/04/41/74/939044174.db2.gz GXTMCADQVLIFEQ-KSSFIOAISA-N -1 0 341.407 3.519 20 0 EHADRM Cc1ccc(CCCCC(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000237704047 939048686 /nfs/dbraw/zinc/04/86/86/939048686.db2.gz VQYKEXWUNGMKJF-IBGZPJMESA-N -1 0 325.408 3.650 20 0 EHADRM O=C([O-])C1(NC(=O)c2ccc(-c3ccc(F)cc3)o2)CCCCCC1 ZINC000746365052 939060994 /nfs/dbraw/zinc/06/09/94/939060994.db2.gz CLOZMOJVYJLGJU-UHFFFAOYSA-N -1 0 345.370 3.993 20 0 EHADRM O=C([O-])C1(NC(=O)c2cc(-c3ccccc3Cl)on2)CCCCC1 ZINC000262307431 939064269 /nfs/dbraw/zinc/06/42/69/939064269.db2.gz MOQWOLYCUONOFM-UHFFFAOYSA-N -1 0 348.786 3.512 20 0 EHADRM Cc1cc([C@H](NC(=O)C[C@@H](C)c2ccccc2)C(=O)[O-])ccc1F ZINC000263106844 939100679 /nfs/dbraw/zinc/10/06/79/939100679.db2.gz RLXBVJJERJSGOH-XIKOKIGWSA-N -1 0 329.371 3.570 20 0 EHADRM C/C(=C/C(=O)N[C@H](C(=O)[O-])c1ccccc1F)c1ccccc1Cl ZINC000776666743 939103811 /nfs/dbraw/zinc/10/38/11/939103811.db2.gz VMUGDZSDZJTLAY-MQNTZWLQSA-N -1 0 347.773 3.825 20 0 EHADRM CC1CCC(=CC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)CC1 ZINC000776687868 939104967 /nfs/dbraw/zinc/10/49/67/939104967.db2.gz CIOGVXNVSYSBRF-CSPPYYTDSA-N -1 0 339.794 3.858 20 0 EHADRM Cc1cc(C)cc([C@@H](NC(=O)CC(C)(C)C(F)(F)F)C(=O)[O-])c1 ZINC000263205065 939109594 /nfs/dbraw/zinc/10/95/94/939109594.db2.gz YZOFCKWJHHBFQA-CYBMUJFWSA-N -1 0 331.334 3.524 20 0 EHADRM Cc1ccc(CCCC(=O)N[C@](C)(C(=O)[O-])c2ccc(F)cc2)s1 ZINC000263236222 939111705 /nfs/dbraw/zinc/11/17/05/939111705.db2.gz SQMNOJOBUBSCRV-SFHVURJKSA-N -1 0 349.427 3.635 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)N[C@H](C(=O)[O-])C2CCCCC2)c(C)s1 ZINC000320829976 939124165 /nfs/dbraw/zinc/12/41/65/939124165.db2.gz NJVYXIYZSCKDCA-ABAIWWIYSA-N -1 0 338.473 3.759 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1cccc2ccccc21)c1cccs1 ZINC000322748124 939124647 /nfs/dbraw/zinc/12/46/47/939124647.db2.gz WVDKYMKEQVTPPU-OAHLLOKOSA-N -1 0 326.377 3.849 20 0 EHADRM Cc1cc([C@H](C)NC(=O)N[C@H](C(=O)[O-])c2ccccc2)c(C)s1 ZINC000322183652 939124961 /nfs/dbraw/zinc/12/49/61/939124961.db2.gz AQZLZMWHSPENOA-NHYWBVRUSA-N -1 0 332.425 3.551 20 0 EHADRM COc1ccc([C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C(=O)[O-])cc1 ZINC000431769724 939153263 /nfs/dbraw/zinc/15/32/63/939153263.db2.gz IXLCPSYBMKMBEG-IIVZCXTMSA-N -1 0 345.439 3.544 20 0 EHADRM Cc1ccc([C@@H](NC(=O)NC[C@H](C)c2ccccc2)C(=O)[O-])cc1C ZINC000797704542 939161248 /nfs/dbraw/zinc/16/12/48/939161248.db2.gz YCVGAQLWLKDYTB-MAUKXSAKSA-N -1 0 340.423 3.532 20 0 EHADRM Cc1cc(F)cc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)c1 ZINC000431855854 939162437 /nfs/dbraw/zinc/16/24/37/939162437.db2.gz CHELSNIKNIUHMB-GOSISDBHSA-N -1 0 337.350 3.843 20 0 EHADRM CC[C@@H](NC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)c1ccc(C)cc1 ZINC000797718184 939179854 /nfs/dbraw/zinc/17/98/54/939179854.db2.gz OVEMGOVKGFCDLO-YLJYHZDGSA-N -1 0 340.423 3.745 20 0 EHADRM CCC(CC)[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000448986349 939204548 /nfs/dbraw/zinc/20/45/48/939204548.db2.gz FEHBUAWEMJSCEL-IINYFYTJSA-N -1 0 343.370 3.602 20 0 EHADRM CCCCC[C@@H](C)CC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000829305109 939220699 /nfs/dbraw/zinc/22/06/99/939220699.db2.gz QYCXRZNATNKYDN-BZNIZROVSA-N -1 0 327.371 3.813 20 0 EHADRM CC[C@](NC(=O)Cc1ccccc1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507285592 939231568 /nfs/dbraw/zinc/23/15/68/939231568.db2.gz ZPWSFEPFUJKPJJ-LJQANCHMSA-N -1 0 345.826 3.697 20 0 EHADRM CC[C@@](NC(=O)c1ccc(C)cc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507296141 939232343 /nfs/dbraw/zinc/23/23/43/939232343.db2.gz SKHKOCCEMGNLRS-SFHVURJKSA-N -1 0 331.799 3.768 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C1CCCC1 ZINC000852942530 939238083 /nfs/dbraw/zinc/23/80/83/939238083.db2.gz JWPZEENVESMADL-GFCCVEGCSA-N -1 0 329.368 3.831 20 0 EHADRM Cc1c(Cl)cc(NC(=O)NC2(C(=O)[O-])CCCC2)cc1Cl ZINC000515118399 939239873 /nfs/dbraw/zinc/23/98/73/939239873.db2.gz WZDIYTBXMWYZGE-UHFFFAOYSA-N -1 0 331.199 3.821 20 0 EHADRM CC[C@@](NC(=O)Nc1ccc(C)c(F)c1)(C(=O)[O-])c1ccccc1 ZINC000515411517 939241483 /nfs/dbraw/zinc/24/14/83/939241483.db2.gz YCQHCOBBOMPWIQ-SFHVURJKSA-N -1 0 330.359 3.646 20 0 EHADRM CCc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)sc1C ZINC000537364743 939265315 /nfs/dbraw/zinc/26/53/15/939265315.db2.gz YOWUHXODODCCJE-CQSZACIVSA-N -1 0 337.828 3.828 20 0 EHADRM C[C@@](NC(=O)Nc1ccc(COC2CCCC2)cc1)(C(=O)[O-])C1CC1 ZINC000554605275 939301049 /nfs/dbraw/zinc/30/10/49/939301049.db2.gz LOSDEKGZAWASNL-IBGZPJMESA-N -1 0 346.427 3.521 20 0 EHADRM CN(Cc1ccccc1)C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000560079159 939317919 /nfs/dbraw/zinc/31/79/19/939317919.db2.gz WMPVHQSWWCKSOF-LJQANCHMSA-N -1 0 348.402 3.807 20 0 EHADRM CC1(C)C[C@@H](NC(=O)N[C@@H](C(=O)[O-])c2ccccc2)c2ccccc21 ZINC000563926158 939342379 /nfs/dbraw/zinc/34/23/79/939342379.db2.gz LRIHYDJFPYHSDV-IAGOWNOFSA-N -1 0 338.407 3.534 20 0 EHADRM C[C@H](NC(=O)NC1(C(=O)[O-])CCCC1)c1cccc2ccccc21 ZINC000565734846 939351225 /nfs/dbraw/zinc/35/12/25/939351225.db2.gz RJQSERGXDBCBKT-ZDUSSCGKSA-N -1 0 326.396 3.597 20 0 EHADRM Cc1cc(C)cc([C@@H](NC(=O)NCc2ccccc2Cl)C(=O)[O-])c1 ZINC000566046326 939353197 /nfs/dbraw/zinc/35/31/97/939353197.db2.gz QPMMUSVMJDNXKO-MRXNPFEDSA-N -1 0 346.814 3.582 20 0 EHADRM COc1ccc([C@H](NC(=O)[C@@H](C)CC2CCCCC2)C(=O)[O-])cc1 ZINC000568914959 939371096 /nfs/dbraw/zinc/37/10/96/939371096.db2.gz BTGFUCPFPZVMNK-GUYCJALGSA-N -1 0 333.428 3.544 20 0 EHADRM CCc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)c1 ZINC000573640044 939720055 /nfs/dbraw/zinc/72/00/55/939720055.db2.gz RIURUOZEHJHGRQ-MRXNPFEDSA-N -1 0 330.359 3.644 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1cccc(COC2CCCCC2)c1)C1CC1 ZINC000573880470 939721847 /nfs/dbraw/zinc/72/18/47/939721847.db2.gz RASNZJLQLLBSHV-QGZVFWFLSA-N -1 0 346.427 3.521 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1cccc(CSC2CCCC2)c1)C1CC1 ZINC000573903962 939722515 /nfs/dbraw/zinc/72/25/15/939722515.db2.gz URDFTKWOGZOOCP-INIZCTEOSA-N -1 0 348.468 3.847 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)cc1C ZINC000574386253 939725948 /nfs/dbraw/zinc/72/59/48/939725948.db2.gz PZNCQJUPXBVITP-MRXNPFEDSA-N -1 0 330.359 3.698 20 0 EHADRM O=C([O-])[C@@H](NC(=O)NCc1cccs1)c1ccc2ccccc2c1 ZINC000574953644 939730375 /nfs/dbraw/zinc/73/03/75/939730375.db2.gz ILLXMCLKMFDESJ-INIZCTEOSA-N -1 0 340.404 3.526 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)N[C@@](C)(C(=O)[O-])C3CC3)ccc2o1 ZINC000577906803 939750167 /nfs/dbraw/zinc/75/01/67/939750167.db2.gz KLNNCONAMJMTII-GOSISDBHSA-N -1 0 345.399 3.500 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)N[C@](C)(C(=O)[O-])C3CC3)cc2s1 ZINC000578155632 939751991 /nfs/dbraw/zinc/75/19/91/939751991.db2.gz FWKVHXKQMNAZRS-KRWDZBQOSA-N -1 0 347.440 3.795 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2C)cc1C ZINC000582523888 939785290 /nfs/dbraw/zinc/78/52/90/939785290.db2.gz LPKKZDWCRPVQAB-QGZVFWFLSA-N -1 0 326.396 3.868 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1cccc(-c2nccs2)c1)C1CCCC1 ZINC000656850562 939847271 /nfs/dbraw/zinc/84/72/71/939847271.db2.gz UPJJRSKZTUVZCB-AWEZNQCLSA-N -1 0 330.409 3.640 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1ccc(Cl)c(OC(F)F)c1)C1CCCC1 ZINC000663043824 939850912 /nfs/dbraw/zinc/85/09/12/939850912.db2.gz IWNDUTDCULVSJS-LBPRGKRZSA-N -1 0 347.745 3.771 20 0 EHADRM Cc1cc(OCc2ccccc2)ccc1NC(=O)[C@H](C(=O)[O-])C1CC1 ZINC000663074085 939852610 /nfs/dbraw/zinc/85/26/10/939852610.db2.gz IHNFAATYEDEUJL-GOSISDBHSA-N -1 0 339.391 3.623 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1ccc(COC2CCCC2)cc1)C1CCCC1 ZINC000663091551 939854148 /nfs/dbraw/zinc/85/41/48/939854148.db2.gz JIXVFIBXJRTSPI-SFHVURJKSA-N -1 0 345.439 3.975 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1cccc(Oc2ccncc2)c1)C1CCCC1 ZINC000663103452 939855029 /nfs/dbraw/zinc/85/50/29/939855029.db2.gz BEVORHFXBBMFBK-KRWDZBQOSA-N -1 0 340.379 3.703 20 0 EHADRM CCN(C(=O)N[C@H](C(=O)[O-])c1cccc(Cl)c1Cl)C(C)C ZINC000663293271 939860511 /nfs/dbraw/zinc/86/05/11/939860511.db2.gz CPSVXEMTCBHPGW-LBPRGKRZSA-N -1 0 333.215 3.559 20 0 EHADRM C[C@](NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl)(C(=O)[O-])c1ccccc1 ZINC000675982830 939866203 /nfs/dbraw/zinc/86/62/03/939866203.db2.gz RKZWNSTVTOWABM-ZRGWGRIASA-N -1 0 343.810 3.560 20 0 EHADRM Cc1ccc([C@@H](NC(=O)NCc2ccccc2Cl)C(=O)[O-])cc1C ZINC000684710159 939871259 /nfs/dbraw/zinc/87/12/59/939871259.db2.gz CVJQDAVTDQEDDO-MRXNPFEDSA-N -1 0 346.814 3.582 20 0 EHADRM Cc1ccc([C@H](NC(=O)NCc2ccccc2Cl)C(=O)[O-])cc1C ZINC000684710155 939871263 /nfs/dbraw/zinc/87/12/63/939871263.db2.gz CVJQDAVTDQEDDO-INIZCTEOSA-N -1 0 346.814 3.582 20 0 EHADRM CCC[C@H](C)NC(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000684711065 939871334 /nfs/dbraw/zinc/87/13/34/939871334.db2.gz ONRUGPYQPLUKKF-VFZGTOFNSA-N -1 0 347.242 3.781 20 0 EHADRM O=C([O-])[C@H](NC(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccccc1F ZINC000684714933 939871657 /nfs/dbraw/zinc/87/16/57/939871657.db2.gz GHWPUWRKDCVKSN-SZOQZIPDSA-N -1 0 348.418 3.610 20 0 EHADRM CC(C)(C)c1csc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)n1 ZINC000321451094 970772786 /nfs/dbraw/zinc/77/27/86/970772786.db2.gz QDGBXSNBSQDYEF-AWEZNQCLSA-N -1 0 330.453 3.625 20 0 EHADRM Cc1cc(NC(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)ccc1C(=O)[O-] ZINC001600271687 970790400 /nfs/dbraw/zinc/79/04/00/970790400.db2.gz PLTRFXHLCRAITK-JKSUJKDBSA-N -1 0 328.343 3.510 20 0 EHADRM Cc1ccc(-c2ncccc2NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)s1 ZINC001600318296 970797492 /nfs/dbraw/zinc/79/74/92/970797492.db2.gz IFBXYZACLKNIBH-NWDGAFQWSA-N -1 0 330.409 3.558 20 0 EHADRM CC1(C)CC(NC(=O)NCCCCCCC(=O)[O-])CC(C)(C)C1 ZINC000321892762 970820954 /nfs/dbraw/zinc/82/09/54/970820954.db2.gz SKLZGZALQSEYML-UHFFFAOYSA-N -1 0 326.481 3.926 20 0 EHADRM Cc1cccc2cc(C(=O)NC[C@H](CC(C)C)C(=O)[O-])c(Cl)nc12 ZINC001600558471 970826021 /nfs/dbraw/zinc/82/60/21/970826021.db2.gz LPEVKKOCMDPAQU-ZDUSSCGKSA-N -1 0 348.830 3.673 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000322093118 970845723 /nfs/dbraw/zinc/84/57/23/970845723.db2.gz HSXXHZRAHLYMKV-NSHDSACASA-N -1 0 349.374 3.918 20 0 EHADRM CCC(CC)(CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(=O)[O-] ZINC000322233680 970861587 /nfs/dbraw/zinc/86/15/87/970861587.db2.gz JMEBCNJHBXPXII-UHFFFAOYSA-N -1 0 334.294 3.917 20 0 EHADRM O=C([O-])[C@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)c1cccs1 ZINC000322364434 970878176 /nfs/dbraw/zinc/87/81/76/970878176.db2.gz CCBMQOLJKFIMOL-CVTKOYADSA-N -1 0 333.453 3.597 20 0 EHADRM O=C([O-])c1ccc(CS(=O)(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000322601752 970908046 /nfs/dbraw/zinc/90/80/46/970908046.db2.gz QIZYEYAQOMULCT-UHFFFAOYSA-N -1 0 345.203 3.666 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000322613245 970910560 /nfs/dbraw/zinc/91/05/60/970910560.db2.gz ZYSIZKOHRQWOJC-LLVKDONJSA-N -1 0 332.322 3.716 20 0 EHADRM COc1cc(NC(=O)CCc2ccccc2Cl)ccc1C(=O)[O-] ZINC000323347584 970993444 /nfs/dbraw/zinc/99/34/44/970993444.db2.gz YHMUIJYVHGVLCI-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2ccc(C)cc2C(=O)[O-])cc1 ZINC000323835209 971044201 /nfs/dbraw/zinc/04/42/01/971044201.db2.gz ALAQMZCADRSTAJ-UHFFFAOYSA-N -1 0 327.380 3.799 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)Cc1coc2cc(C)ccc12 ZINC000323841174 971046023 /nfs/dbraw/zinc/04/60/23/971046023.db2.gz NVBIWLHFMIRWAP-UHFFFAOYSA-N -1 0 329.377 3.991 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)/C=C\c1ccc(Cl)cc1 ZINC000323901497 971055186 /nfs/dbraw/zinc/05/51/86/971055186.db2.gz JVXKMZLYBXCVJY-JXMNSVBMSA-N -1 0 335.831 3.893 20 0 EHADRM Cc1ccc(NC(=O)COc2ccccc2C(C)C)c(C(=O)[O-])c1 ZINC000324009147 971073455 /nfs/dbraw/zinc/07/34/55/971073455.db2.gz IMFNRRZSZVAWDJ-UHFFFAOYSA-N -1 0 327.380 3.834 20 0 EHADRM CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)cc1 ZINC000324068545 971079659 /nfs/dbraw/zinc/07/96/59/971079659.db2.gz FVWWOZMPKPADFW-UHFFFAOYSA-N -1 0 345.420 3.976 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N2CC3(CCC3)[C@@H]2c2ccco2)c1 ZINC001611506576 971088076 /nfs/dbraw/zinc/08/80/76/971088076.db2.gz QUAFEEUENYRQSC-KRWDZBQOSA-N -1 0 340.379 3.666 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccc(F)c(C(=O)[O-])c2)o1 ZINC000324155335 971090099 /nfs/dbraw/zinc/09/00/99/971090099.db2.gz CFNYZSJIKVKYGD-GWCFXTLKSA-N -1 0 331.343 3.812 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)NCc1cccc(C(F)F)c1 ZINC001611513822 971090161 /nfs/dbraw/zinc/09/01/61/971090161.db2.gz AHAHDMDNCZHPKJ-UHFFFAOYSA-N -1 0 334.322 3.573 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)NCc1ccc(C(F)F)cc1 ZINC001611514270 971090983 /nfs/dbraw/zinc/09/09/83/971090983.db2.gz WHHVWKYHJDIEPF-UHFFFAOYSA-N -1 0 334.322 3.573 20 0 EHADRM Cc1ccc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)c(Cl)c1 ZINC000324207035 971096679 /nfs/dbraw/zinc/09/66/79/971096679.db2.gz ZFERHVKLDIRAMA-LBPRGKRZSA-N -1 0 329.783 3.867 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC001601977980 971103038 /nfs/dbraw/zinc/10/30/38/971103038.db2.gz ZJGODDQFONTNSX-VXGBXAGGSA-N -1 0 341.860 3.608 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)NCCc2cccc(Cl)c2)c1 ZINC001602042946 971127612 /nfs/dbraw/zinc/12/76/12/971127612.db2.gz JPYBGGKHPXFEII-UHFFFAOYSA-N -1 0 346.814 3.721 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2nsc3ccccc32)c1 ZINC001602043797 971129529 /nfs/dbraw/zinc/12/95/29/971129529.db2.gz FAQWMXANYDWEEE-UHFFFAOYSA-N -1 0 326.377 3.566 20 0 EHADRM CN(Cc1ccc2ccccc2c1)C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000324625080 971140824 /nfs/dbraw/zinc/14/08/24/971140824.db2.gz OZNPHZRXOGMCAF-ZWKOTPCHSA-N -1 0 325.408 3.689 20 0 EHADRM Cc1ccc2oc(C(=O)NCC3(CC(=O)[O-])CCCCC3)cc2c1 ZINC000324760815 971155053 /nfs/dbraw/zinc/15/50/53/971155053.db2.gz VUUGSVKGAILOGF-UHFFFAOYSA-N -1 0 329.396 3.896 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)c1cc(Cl)c2ccccc2n1 ZINC000324757712 971155143 /nfs/dbraw/zinc/15/51/43/971155143.db2.gz SCAVBXKHCIBKBI-UHFFFAOYSA-N -1 0 344.729 3.978 20 0 EHADRM Cc1c(NC(=O)N[C@H](C)CCc2ccccc2)cccc1C(=O)[O-] ZINC000324793370 971156971 /nfs/dbraw/zinc/15/69/71/971156971.db2.gz MLXSCEBCUYOYHL-CYBMUJFWSA-N -1 0 326.396 3.836 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCc1nc(-c2cccs2)oc1C ZINC000324875644 971165635 /nfs/dbraw/zinc/16/56/35/971165635.db2.gz QKWHRUPOLUZNDY-UHFFFAOYSA-N -1 0 345.376 3.997 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC(CC3CCCCC3)CC2)nc1 ZINC001602315211 971178069 /nfs/dbraw/zinc/17/80/69/971178069.db2.gz NVISMODXLQFCSJ-UHFFFAOYSA-N -1 0 330.428 3.602 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)Nc1ccc(Cl)c(F)c1)CC2 ZINC000325217383 971193603 /nfs/dbraw/zinc/19/36/03/971193603.db2.gz ABFHQLIVPTUTRA-UHFFFAOYSA-N -1 0 348.761 3.768 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000325244311 971196917 /nfs/dbraw/zinc/19/69/17/971196917.db2.gz IRXIYUNNHMODDU-WCQYABFASA-N -1 0 341.329 3.643 20 0 EHADRM C[C@H](NC(=O)NCc1ccccc1CC(=O)[O-])c1ccccc1Cl ZINC000325310942 971203573 /nfs/dbraw/zinc/20/35/73/971203573.db2.gz SRSXVPRGTQBFSD-LBPRGKRZSA-N -1 0 346.814 3.528 20 0 EHADRM O=C([O-])Cc1ccccc1CNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000325354147 971207177 /nfs/dbraw/zinc/20/71/77/971207177.db2.gz LOIFHXOEJJAQIU-HLLBOEOZSA-N -1 0 329.440 3.536 20 0 EHADRM O=C([O-])[C@H]1CCN(Cc2ccccc2OC(F)F)c2ccccc21 ZINC000325445191 971217277 /nfs/dbraw/zinc/21/72/77/971217277.db2.gz VWIUXFLUGRUWHO-AWEZNQCLSA-N -1 0 333.334 3.867 20 0 EHADRM CCCC1CCC(NC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)CC1 ZINC000325482538 971220154 /nfs/dbraw/zinc/22/01/54/971220154.db2.gz WKBFVGJOPQXDMP-PCKAHOCUSA-N -1 0 338.492 3.878 20 0 EHADRM CC(C)CCC[C@@H](C)NC(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000325806403 971245170 /nfs/dbraw/zinc/24/51/70/971245170.db2.gz OXWZJYIVEBXMGH-CQSZACIVSA-N -1 0 332.444 3.667 20 0 EHADRM CCCC[C@H](CC)CNC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000326053221 971263142 /nfs/dbraw/zinc/26/31/42/971263142.db2.gz BXMKGAJPNLQCCF-YOEHRIQHSA-N -1 0 332.444 3.596 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)Nc2cc(F)ccc2Cl)Cc2ccccc21 ZINC000326061623 971264464 /nfs/dbraw/zinc/26/44/64/971264464.db2.gz DYHRXYJZALMHLE-CYBMUJFWSA-N -1 0 348.761 3.695 20 0 EHADRM COc1cccc(Cl)c1CNC(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000326147801 971270561 /nfs/dbraw/zinc/27/05/61/971270561.db2.gz RDEZOIRYBUKRDS-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2cc(Cl)nc3ccccc32)cc1 ZINC000326367415 971286517 /nfs/dbraw/zinc/28/65/17/971286517.db2.gz IPHHAWPWTBVUSY-UHFFFAOYSA-N -1 0 340.766 3.516 20 0 EHADRM CCc1ccc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c(C(=O)[O-])c1 ZINC000326553447 971302795 /nfs/dbraw/zinc/30/27/95/971302795.db2.gz PEJOKAUUQXQJGA-INIZCTEOSA-N -1 0 345.782 3.543 20 0 EHADRM CCc1ccc(NC(=O)COc2ccc(C)cc2C)c(C(=O)[O-])c1 ZINC000326610425 971309604 /nfs/dbraw/zinc/30/96/04/971309604.db2.gz OKQDJNQMMACQHS-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM Cc1cc(C)cc(OCCC(=O)NCC2(CC(=O)[O-])CCCCC2)c1 ZINC000326707416 971319557 /nfs/dbraw/zinc/31/95/57/971319557.db2.gz WMVMURJZZJHMHP-UHFFFAOYSA-N -1 0 347.455 3.614 20 0 EHADRM Cc1sc2ncnc(Oc3cc(C(=O)[O-])ccc3[N+](=O)[O-])c2c1C ZINC000326783440 971327163 /nfs/dbraw/zinc/32/71/63/971327163.db2.gz VGQANZDSNKEGQW-UHFFFAOYSA-N -1 0 345.336 3.707 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)N2CC[C@@H]3CCCC[C@H]3C2)c1F ZINC000326810455 971330309 /nfs/dbraw/zinc/33/03/09/971330309.db2.gz DCCBQMOAMFDLKA-QWRGUYRKSA-N -1 0 338.354 3.707 20 0 EHADRM CCCCc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(OC)c2)cc1 ZINC000326873660 971338888 /nfs/dbraw/zinc/33/88/88/971338888.db2.gz AENMLMIDFKJLSP-UHFFFAOYSA-N -1 0 327.380 3.988 20 0 EHADRM COCCc1ccc(Oc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000327312069 971385956 /nfs/dbraw/zinc/38/59/56/971385956.db2.gz QYBHFDCBACXXDP-WEVVVXLNSA-N -1 0 343.335 3.674 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)NCc2cccc3ccccc32)c1 ZINC000327347305 971391253 /nfs/dbraw/zinc/39/12/53/971391253.db2.gz GIBLIBJWSHFIML-UHFFFAOYSA-N -1 0 338.338 3.999 20 0 EHADRM CCc1cccc(CC)c1NC(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000327657554 971416278 /nfs/dbraw/zinc/41/62/78/971416278.db2.gz XOHRNBMALTZXHW-UHFFFAOYSA-N -1 0 340.423 3.874 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)c1ccc2ccccc2c1O ZINC000327686206 971418255 /nfs/dbraw/zinc/41/82/55/971418255.db2.gz PTKOEPNKYPUNFB-QGZVFWFLSA-N -1 0 341.407 3.699 20 0 EHADRM Cc1cc(C)cc(OCCC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])c1 ZINC000327692022 971419725 /nfs/dbraw/zinc/41/97/25/971419725.db2.gz STVCAOXZZCEIFM-GOSISDBHSA-N -1 0 347.455 3.612 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)N[C@H]2CCCCC23CCCC3)cc1 ZINC000327800890 971426693 /nfs/dbraw/zinc/42/66/93/971426693.db2.gz FSERWRSJEFBXHU-INIZCTEOSA-N -1 0 346.427 3.775 20 0 EHADRM COc1cc(NC(=O)c2oc3c(cccc3F)c2C)ccc1C(=O)[O-] ZINC000327816823 971426166 /nfs/dbraw/zinc/42/61/66/971426166.db2.gz LTSBNVIZQBRURX-UHFFFAOYSA-N -1 0 343.310 3.839 20 0 EHADRM COc1cc(NC(=O)N(C)[C@@H](C)c2ccccc2F)ccc1C(=O)[O-] ZINC000327894770 971432326 /nfs/dbraw/zinc/43/23/26/971432326.db2.gz GNIFEYZZMFCZSZ-NSHDSACASA-N -1 0 346.358 3.757 20 0 EHADRM Cc1cc(C)c(OCC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)c(C)c1 ZINC000327942023 971435988 /nfs/dbraw/zinc/43/59/88/971435988.db2.gz QFXBTNNCUBXVIT-UHFFFAOYSA-N -1 0 349.333 3.606 20 0 EHADRM O=C([O-])c1csc(COc2ccc(Cl)cc2Br)n1 ZINC000328423478 971472164 /nfs/dbraw/zinc/47/21/64/971472164.db2.gz SOFIPWUOWGSXNI-UHFFFAOYSA-N -1 0 348.605 3.836 20 0 EHADRM CC(=O)c1ccc(C(F)(F)F)nc1Nc1cccc(CC(=O)[O-])c1 ZINC001602772521 971503807 /nfs/dbraw/zinc/50/38/07/971503807.db2.gz CPXYXHZUYOWORC-UHFFFAOYSA-N -1 0 338.285 3.674 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)/C=C/c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000037448651 948831862 /nfs/dbraw/zinc/83/18/62/948831862.db2.gz CIKRWELYKOJQFJ-LFEVEYAASA-N -1 0 330.211 3.622 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)C(=O)c1sc2cc(F)ccc2c1Cl ZINC000044615985 948900498 /nfs/dbraw/zinc/90/04/98/948900498.db2.gz HUODGTBIDURWRZ-SECBINFHSA-N -1 0 329.780 3.629 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)c1ccc2c(c1)CCC2)C(=O)[O-] ZINC000345806921 971520067 /nfs/dbraw/zinc/52/00/67/971520067.db2.gz OITFLCPURLCLMY-OAHLLOKOSA-N -1 0 337.419 3.538 20 0 EHADRM CCCC[C@@H](NC(=O)C(C)(C)c1ccc(OCC(C)C)cc1)C(=O)[O-] ZINC000347253356 971521584 /nfs/dbraw/zinc/52/15/84/971521584.db2.gz ANSIVLXHUBXQFT-QGZVFWFLSA-N -1 0 349.471 3.759 20 0 EHADRM Cc1cnn(-c2ccc(C(=O)Nc3cc(C(=O)[O-])c(C)cc3C)cc2)c1 ZINC000349497350 971527152 /nfs/dbraw/zinc/52/71/52/971527152.db2.gz YDOFLJBOBJEKNO-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM COCc1ccc(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)o1 ZINC000353947647 971528574 /nfs/dbraw/zinc/52/85/74/971528574.db2.gz NYLRGCGRGBMBGQ-UHFFFAOYSA-N -1 0 331.349 3.591 20 0 EHADRM Cc1ccc2cccc(C(=O)Nc3cccc(CCC(=O)[O-])c3)c2n1 ZINC000353132100 971528783 /nfs/dbraw/zinc/52/87/83/971528783.db2.gz WWPUDCWADVQASA-UHFFFAOYSA-N -1 0 334.375 3.813 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)[C@@H](C)CSc2ccccc2)C1 ZINC001589583676 949018626 /nfs/dbraw/zinc/01/86/26/949018626.db2.gz BZPYXDJNEWJOFV-KBXCAEBGSA-N -1 0 335.469 3.518 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2CCSc3c(F)cccc32)c(F)c1 ZINC000358612697 971532690 /nfs/dbraw/zinc/53/26/90/971532690.db2.gz QJFOJXVFZYIUMV-AWEZNQCLSA-N -1 0 349.358 3.630 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)c(F)c1 ZINC000358614474 971532738 /nfs/dbraw/zinc/53/27/38/971532738.db2.gz YROCXBAWQAJGOU-OAHLLOKOSA-N -1 0 345.345 3.510 20 0 EHADRM CC(C)[C@H](NC(=O)c1cccc(C(=O)[O-])n1)c1ccc(Cl)cc1 ZINC000362495738 971535063 /nfs/dbraw/zinc/53/50/63/971535063.db2.gz DNAJLSSLGNZWBT-HNNXBMFYSA-N -1 0 332.787 3.560 20 0 EHADRM CCC(CC)[C@@H](NC(=O)c1cccc(C(=O)[O-])n1)c1cccs1 ZINC000362496414 971535289 /nfs/dbraw/zinc/53/52/89/971535289.db2.gz GEMZJHFOEAODOL-OAHLLOKOSA-N -1 0 332.425 3.749 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)[C@H](C)c1ccsc1)C(=O)[O-] ZINC000362527369 971536132 /nfs/dbraw/zinc/53/61/32/971536132.db2.gz AIKPRRMUZSFMOC-ZIAGYGMSSA-N -1 0 331.437 3.601 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Cc2ccc(CC(C)C)cc2)C1 ZINC001589593424 949116971 /nfs/dbraw/zinc/11/69/71/949116971.db2.gz ZLABDXWYNSAZCQ-HXUWFJFHSA-N -1 0 331.456 3.531 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2cc(C)c(C(C)=O)c(C)c2)C1 ZINC001589598429 949185406 /nfs/dbraw/zinc/18/54/06/949185406.db2.gz TVAGPWJQSONIQQ-IBGZPJMESA-N -1 0 346.427 3.615 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)OCc2cccc(Cl)c2)C1 ZINC001589598510 949187851 /nfs/dbraw/zinc/18/78/51/949187851.db2.gz OLSJPTVLHGQLEU-MRXNPFEDSA-N -1 0 325.792 3.553 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N2CCC[C@H]2c2ccc(F)cc2F)o1 ZINC001595226086 949296246 /nfs/dbraw/zinc/29/62/46/949296246.db2.gz UKMIZLOMEDFHMO-PXTSUWAFSA-N -1 0 347.317 3.633 20 0 EHADRM CC[C@@]1(C)Oc2ccc(NC(=O)C3(C(=O)[O-])CCCCC3)cc2O1 ZINC001589610983 949323447 /nfs/dbraw/zinc/32/34/47/949323447.db2.gz RSXFMJWAJIYNPL-KRWDZBQOSA-N -1 0 333.384 3.558 20 0 EHADRM O=C([O-])c1ccc(CNc2ccc([C@@H](O)C(F)(F)F)cc2)cc1 ZINC001595232622 949362308 /nfs/dbraw/zinc/36/23/08/949362308.db2.gz NNIUQAJAIDUTJQ-CQSZACIVSA-N -1 0 325.286 3.593 20 0 EHADRM CC[C@@H]1CCc2c(sc(NC(=O)c3ncoc3C)c2C(=O)[O-])C1 ZINC001589624118 949450905 /nfs/dbraw/zinc/45/09/05/949450905.db2.gz BIVQDWMIZWDDKE-SECBINFHSA-N -1 0 334.397 3.510 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCCc2ccc3c(c2)-c2ccccc2C3)C1 ZINC000178268741 949489277 /nfs/dbraw/zinc/48/92/77/949489277.db2.gz HWQMFLCYXVNQGO-GOSISDBHSA-N -1 0 349.430 3.514 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)c1 ZINC001595243737 949495636 /nfs/dbraw/zinc/49/56/36/949495636.db2.gz ZUORMXJWVDBPCT-VXGBXAGGSA-N -1 0 335.812 3.520 20 0 EHADRM Cc1ccc(C(=O)NCCCC(=O)[O-])c(Sc2ccccc2)c1 ZINC000190522970 949499738 /nfs/dbraw/zinc/49/97/38/949499738.db2.gz WPMXMRCPQONJNO-UHFFFAOYSA-N -1 0 329.421 3.741 20 0 EHADRM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])nc1 ZINC000190626196 949502573 /nfs/dbraw/zinc/50/25/73/949502573.db2.gz WRGLYBCHHAHMHS-WMZOPIPTSA-N -1 0 338.407 3.578 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N1CCc2sc(Cl)cc2C1 ZINC001595256099 949614934 /nfs/dbraw/zinc/61/49/34/949614934.db2.gz RLSITBLXNWQKBY-UHFFFAOYSA-N -1 0 336.800 3.690 20 0 EHADRM CCCCC[C@H](NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC001589642086 949701315 /nfs/dbraw/zinc/70/13/15/949701315.db2.gz KGXBYQJTCUENHY-KSZLIROESA-N -1 0 347.455 3.694 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)N(Cc2ccccc2F)C2CCC2)c1 ZINC001595262882 949706919 /nfs/dbraw/zinc/70/69/19/949706919.db2.gz XXKYZNPQVUGWMM-UHFFFAOYSA-N -1 0 343.358 3.506 20 0 EHADRM CCCCCC[C@@H](C)NC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001589645082 949717830 /nfs/dbraw/zinc/71/78/30/949717830.db2.gz MTGQGLNDQQDKOY-DNVCBOLYSA-N -1 0 334.460 3.687 20 0 EHADRM CCCCCCOCc1cccc(NC(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC001589645590 949728614 /nfs/dbraw/zinc/72/86/14/949728614.db2.gz ILEJPMSCCSQEKX-MRXNPFEDSA-N -1 0 348.443 3.722 20 0 EHADRM CCCCN(Cc1c(C(=O)[O-])cnn1C)Cc1ccccc1Cl ZINC001589650767 949779635 /nfs/dbraw/zinc/77/96/35/949779635.db2.gz WBZVSPAHJRDUDJ-UHFFFAOYSA-N -1 0 335.835 3.574 20 0 EHADRM CCCCOc1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000236668768 949931887 /nfs/dbraw/zinc/93/18/87/949931887.db2.gz NWJMEMIHWVGDCE-MRXNPFEDSA-N -1 0 333.428 3.725 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000379239309 971620624 /nfs/dbraw/zinc/62/06/24/971620624.db2.gz WDWBAXKTTBDIHG-ZBFHGGJFSA-N -1 0 339.391 3.852 20 0 EHADRM Cc1cc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c(C)n1C1CCCCC1 ZINC000237776692 949978527 /nfs/dbraw/zinc/97/85/27/949978527.db2.gz SIPLTYYJTWXLHN-CABCVRRESA-N -1 0 332.444 3.593 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)CSc1ccc2c(c1)CCC2 ZINC000237985601 949985984 /nfs/dbraw/zinc/98/59/84/949985984.db2.gz UJJHFCJAEQWXHT-MRXNPFEDSA-N -1 0 347.480 3.513 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc3nc(C4CC4)sc3c2)cn1 ZINC000238026772 949989209 /nfs/dbraw/zinc/98/92/09/949989209.db2.gz HXOHLZRNOHLIPC-UHFFFAOYSA-N -1 0 339.376 3.519 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000262089883 950062947 /nfs/dbraw/zinc/06/29/47/950062947.db2.gz LIOQVWZZHOOBPL-QWHCGFSZSA-N -1 0 337.803 3.711 20 0 EHADRM CCN(C(=O)C[C@@H](Cc1ccccc1)c1ccccc1)[C@H](C)C(=O)[O-] ZINC001589698729 950206780 /nfs/dbraw/zinc/20/67/80/950206780.db2.gz FNRVUQCSUAVGSA-VQIMIIECSA-N -1 0 339.435 3.725 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C)C1 ZINC000263157794 950300433 /nfs/dbraw/zinc/30/04/33/950300433.db2.gz FXDBDVMZGULONR-KBMXLJTQSA-N -1 0 332.444 3.526 20 0 EHADRM COc1ccc(CCCCCC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1 ZINC000263178139 950311632 /nfs/dbraw/zinc/31/16/32/950311632.db2.gz JZQOTYREVNALKW-RDJZCZTQSA-N -1 0 347.455 3.510 20 0 EHADRM CCCN(C(=O)CCCCC(=O)[O-])[C@H]1C[C@H](OCC)C12CCCC2 ZINC000263329698 950373978 /nfs/dbraw/zinc/37/39/78/950373978.db2.gz UNOAUQPKSBNMGL-HOTGVXAUSA-N -1 0 339.476 3.608 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)C1 ZINC000263357806 950397903 /nfs/dbraw/zinc/39/79/03/950397903.db2.gz XOAHQRVOAMCNKL-UONOGXRCSA-N -1 0 349.390 3.669 20 0 EHADRM C[C@H]1CN(c2ccccc2NCc2cccc(C(=O)[O-])c2)C[C@H](C)O1 ZINC000263462162 950474234 /nfs/dbraw/zinc/47/42/34/950474234.db2.gz JBDAFDVIERXHMG-GJZGRUSLSA-N -1 0 340.423 3.611 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2ccc(Cl)cc2F)C1 ZINC000316058196 950866293 /nfs/dbraw/zinc/86/62/93/950866293.db2.gz JVOKLISDXSCYGA-OAHLLOKOSA-N -1 0 328.771 3.588 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc2c(c1)C=CC1(CCC1)O2 ZINC001602853507 971700580 /nfs/dbraw/zinc/70/05/80/971700580.db2.gz WHFVIXLNUVYGKR-OAHLLOKOSA-N -1 0 329.396 3.700 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)c1ccccc1CCC(F)(F)F ZINC001594984575 951011328 /nfs/dbraw/zinc/01/13/28/951011328.db2.gz LSNCAEHCEFENAP-CYBMUJFWSA-N -1 0 343.345 3.651 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(C)C(=O)Nc1cccnc1C(=O)[O-] ZINC000322145781 951026088 /nfs/dbraw/zinc/02/60/88/951026088.db2.gz RNBZXHDQLMETHT-JTQLQIEISA-N -1 0 333.775 3.658 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)cn1 ZINC000322197781 951027840 /nfs/dbraw/zinc/02/78/40/951027840.db2.gz DFRVUKNGSRQLMJ-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)Nc2cc(F)cc(Cl)c2)Cc2ccccc21 ZINC000325974415 951095705 /nfs/dbraw/zinc/09/57/05/951095705.db2.gz WTGXIROYVHRPMS-OAHLLOKOSA-N -1 0 348.761 3.695 20 0 EHADRM Cc1cccc2cc(C(=O)N3Cc4ccccc4[C@@H](C(=O)[O-])C3)oc21 ZINC000347368812 951132602 /nfs/dbraw/zinc/13/26/02/951132602.db2.gz NARGGZANZRPBJF-INIZCTEOSA-N -1 0 335.359 3.565 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)C1CC1 ZINC000362462264 951135582 /nfs/dbraw/zinc/13/55/82/951135582.db2.gz AXOKVODYLWCZQQ-GFWSLJDESA-N -1 0 342.222 3.561 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)C1CC1 ZINC000362462265 951136067 /nfs/dbraw/zinc/13/60/67/951136067.db2.gz AXOKVODYLWCZQQ-NFMODRRSSA-N -1 0 342.222 3.561 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)Nc1ccc2c(c1)CCCC2=O)C(=O)[O-] ZINC001602861226 971718737 /nfs/dbraw/zinc/71/87/37/971718737.db2.gz NWOHLIDRXYTCFZ-HNNXBMFYSA-N -1 0 346.427 3.607 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)c2cc(F)ccc2F)CC1 ZINC000372645182 951147114 /nfs/dbraw/zinc/14/71/14/951147114.db2.gz ZZLIPICZXUMAIJ-UHFFFAOYSA-N -1 0 345.345 3.683 20 0 EHADRM C[C@H](CCOCc1ccccc1)NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000389611668 951354698 /nfs/dbraw/zinc/35/46/98/951354698.db2.gz LAUCGTHEXGYXBF-CQSZACIVSA-N -1 0 342.395 3.502 20 0 EHADRM O=C([O-])CCCCC(=O)Oc1c(Cl)cccc1Br ZINC001595035119 951399498 /nfs/dbraw/zinc/39/94/98/951399498.db2.gz WWXHDPWKZPMSDM-UHFFFAOYSA-N -1 0 335.581 3.653 20 0 EHADRM O=C([O-])CCCCNC(=O)c1ccc(Oc2ccc(Cl)cc2)cn1 ZINC001595044785 951437801 /nfs/dbraw/zinc/43/78/01/951437801.db2.gz JYBAPWUNQLWEFV-UHFFFAOYSA-N -1 0 348.786 3.512 20 0 EHADRM O=C([O-])CCCNC(=O)Nc1ccc(OCC2CCCCC2)cc1 ZINC001595050281 951467566 /nfs/dbraw/zinc/46/75/66/951467566.db2.gz SGRBDDWJQWQUQP-UHFFFAOYSA-N -1 0 334.416 3.632 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)c1 ZINC000397086836 951519477 /nfs/dbraw/zinc/51/94/77/951519477.db2.gz JBKHNEMSVMBHQF-HZSPNIEDSA-N -1 0 334.416 3.581 20 0 EHADRM O=C([O-])CCSCC(=O)N1c2ccccc2CCc2ccccc21 ZINC001595063891 951529560 /nfs/dbraw/zinc/52/95/60/951529560.db2.gz HRWFYXBDQYUNKH-UHFFFAOYSA-N -1 0 341.432 3.658 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000398708927 951600660 /nfs/dbraw/zinc/60/06/60/951600660.db2.gz URMVLSAZQRWQAJ-BDAKNGLRSA-N -1 0 331.199 3.568 20 0 EHADRM O=C([O-])[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccccc2F)cc1 ZINC001595199974 952309095 /nfs/dbraw/zinc/30/90/95/952309095.db2.gz IDKHQNWURVDHFD-OAHLLOKOSA-N -1 0 344.342 3.699 20 0 EHADRM O=C([O-])c1c(-c2ccsc2)csc1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001595207265 952337320 /nfs/dbraw/zinc/33/73/20/952337320.db2.gz USELRHCNELJNCZ-FOGDFJRCSA-N -1 0 349.433 3.681 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2CCC[C@H]2c2ccccc2)ccc1O ZINC001595208251 952347724 /nfs/dbraw/zinc/34/77/24/952347724.db2.gz ULGGQOQIHVXODM-LSDHHAIUSA-N -1 0 325.364 3.613 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc3c(ccc4ccccc34)[nH]2)ccn1 ZINC001595210276 952361962 /nfs/dbraw/zinc/36/19/62/952361962.db2.gz STEFXSFJDPFQRT-UHFFFAOYSA-N -1 0 331.331 3.667 20 0 EHADRM CCCN(Cc1ccccc1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000383790636 971895022 /nfs/dbraw/zinc/89/50/22/971895022.db2.gz MOVLJPXUIYRWTJ-UHFFFAOYSA-N -1 0 326.396 3.758 20 0 EHADRM CC1CC(C(=O)Nc2cncc(C(=O)[O-])c2)(c2cccc(Cl)c2)C1 ZINC001589265872 953369267 /nfs/dbraw/zinc/36/92/67/953369267.db2.gz MBRIQZJXJPSTCN-UHFFFAOYSA-N -1 0 344.798 3.740 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)NCCCCCC(=O)[O-] ZINC000414610651 953398624 /nfs/dbraw/zinc/39/86/24/953398624.db2.gz NKCMTPGWFOKNDR-KRWDZBQOSA-N -1 0 334.460 3.603 20 0 EHADRM C[C@@H]1C[C@@H]1[C@H](NC(=O)N(C)CCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000414635209 953405928 /nfs/dbraw/zinc/40/59/28/953405928.db2.gz ZUBKGYRVXISERI-DIOULYMOSA-N -1 0 338.835 3.543 20 0 EHADRM CC[C@@H](NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccc(F)cc1 ZINC001593603009 953415613 /nfs/dbraw/zinc/41/56/13/953415613.db2.gz OVLMYPOIURJGLM-XJKSGUPXSA-N -1 0 336.407 3.563 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(SC(C)(C)C)c(F)c1)C(=O)[O-] ZINC001593604027 953419770 /nfs/dbraw/zinc/41/97/70/953419770.db2.gz PEPHKYUAOJGRKG-LLVKDONJSA-N -1 0 328.409 3.701 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cc3cc(C(C)(C)C)ccc3[nH]2)C1 ZINC001589274259 953444492 /nfs/dbraw/zinc/44/44/92/953444492.db2.gz BRVCRPVXPRROIF-GXTWGEPZSA-N -1 0 342.439 3.648 20 0 EHADRM C[C@H](c1ccc(C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1)C(F)(F)F ZINC001589275367 953465865 /nfs/dbraw/zinc/46/58/65/953465865.db2.gz ZWEZMHRTXYGYTN-GYSYKLTISA-N -1 0 343.345 3.535 20 0 EHADRM CC[C@@H]1CN(C(=O)NCCC(C)(C)C(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000424406245 953472183 /nfs/dbraw/zinc/47/21/83/953472183.db2.gz QJFYYIWHIKUGCH-WBVHZDCISA-N -1 0 346.471 3.713 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC001594768837 953546784 /nfs/dbraw/zinc/54/67/84/953546784.db2.gz GQGFPTFOLCLZDJ-USXIJHARSA-N -1 0 330.428 3.543 20 0 EHADRM C[C@H](C(=O)N1CCC[C@H](CC(=O)[O-])C1)c1ccc2ccccc2c1 ZINC000532694918 953564962 /nfs/dbraw/zinc/56/49/62/953564962.db2.gz HNUNLWPKJIKXNO-LSDHHAIUSA-N -1 0 325.408 3.657 20 0 EHADRM Cc1[nH]c2c(cc(C)cc2CNC(=O)c2ccc(C(=O)[O-])cc2)c1C ZINC000538467981 953572280 /nfs/dbraw/zinc/57/22/80/953572280.db2.gz QDIQCYNSEPXOBG-UHFFFAOYSA-N -1 0 336.391 3.721 20 0 EHADRM Cc1ccccc1C1(C(=O)NCC2(C(=O)[O-])CCC2)CCCCC1 ZINC000540671406 953574277 /nfs/dbraw/zinc/57/42/77/953574277.db2.gz ZTTMVPSMOVZNOJ-UHFFFAOYSA-N -1 0 329.440 3.568 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(Oc2cccc(Cl)c2)cc1)C(=O)[O-] ZINC000555637202 953584238 /nfs/dbraw/zinc/58/42/38/953584238.db2.gz DWDFZRGKSVZGLR-OAHLLOKOSA-N -1 0 333.771 3.725 20 0 EHADRM CCCn1ccc2ccc(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])cc21 ZINC000569188901 953648647 /nfs/dbraw/zinc/64/86/47/953648647.db2.gz JAWOTKBLKDWQDS-HNNXBMFYSA-N -1 0 331.416 3.672 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCC[C@H](CCCc2ccccc2)C1 ZINC001602960814 971948626 /nfs/dbraw/zinc/94/86/26/971948626.db2.gz KISSUANZDRIIKZ-ZWKOTPCHSA-N -1 0 331.456 3.605 20 0 EHADRM CC(C)C(=O)c1ccc(NC(=O)NCc2ccccc2C(=O)[O-])cc1 ZINC001602961291 971951573 /nfs/dbraw/zinc/95/15/73/971951573.db2.gz VGFPXMDOHXZBCQ-UHFFFAOYSA-N -1 0 340.379 3.545 20 0 EHADRM C[C@H]1CCN(C(=O)CSc2ccc3ccccc3c2)C[C@@H]1C(=O)[O-] ZINC000581548690 953719649 /nfs/dbraw/zinc/71/96/49/953719649.db2.gz ROODTEDCGRMGJH-GUYCJALGSA-N -1 0 343.448 3.501 20 0 EHADRM C[C@@H]1CCN(C(=O)c2sccc2-c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000583934414 953730526 /nfs/dbraw/zinc/73/05/26/953730526.db2.gz FHPPVURYIHJRPJ-DOMZBBRYSA-N -1 0 329.421 3.598 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])nc1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000630293830 953850436 /nfs/dbraw/zinc/85/04/36/953850436.db2.gz BJBSZJYCMXTSAY-FUHWJXTLSA-N -1 0 338.407 3.578 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@H]2C[C@H](c3ccccc3F)C2)c1 ZINC000630302964 953851720 /nfs/dbraw/zinc/85/17/20/953851720.db2.gz NDMAALQPZXOARY-NNUKFRKNSA-N -1 0 327.355 3.508 20 0 EHADRM Cc1c(NC(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)cccc1C(F)(F)F ZINC000630563430 953860873 /nfs/dbraw/zinc/86/08/73/953860873.db2.gz KHVKXFUMBCBGRZ-MWLCHTKSSA-N -1 0 344.333 3.588 20 0 EHADRM CN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001593682955 953973853 /nfs/dbraw/zinc/97/38/53/953973853.db2.gz PUWSZQFVYISCLG-BSDSXHPESA-N -1 0 329.440 3.672 20 0 EHADRM C[C@H](CC(=O)N[C@H]1CCC[C@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000648353188 953984377 /nfs/dbraw/zinc/98/43/77/953984377.db2.gz IGIIBEOWZGDQGU-HONMWMINSA-N -1 0 343.345 3.569 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)CCS1 ZINC001589344206 954038041 /nfs/dbraw/zinc/03/80/41/954038041.db2.gz NQMHXPMXCOYLCK-MRVPVSSYSA-N -1 0 346.811 3.537 20 0 EHADRM O=C([O-])[C@@H](NCc1coc(-c2ccccc2F)n1)c1ccc(F)cc1 ZINC001594843610 954106694 /nfs/dbraw/zinc/10/66/94/954106694.db2.gz MPLKLMNPIOHXHT-INIZCTEOSA-N -1 0 344.317 3.535 20 0 EHADRM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001589364355 954177674 /nfs/dbraw/zinc/17/76/74/954177674.db2.gz RFXJUKBXBRGCCL-VCBZYWHSSA-N -1 0 344.455 3.596 20 0 EHADRM COc1c(C)ccc(NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1C ZINC000653535324 954182192 /nfs/dbraw/zinc/18/21/92/954182192.db2.gz NSHWDZREVPHKEI-MELADBBJSA-N -1 0 348.443 3.569 20 0 EHADRM CC(C)[C@@H](CNC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000655565660 954204298 /nfs/dbraw/zinc/20/42/98/954204298.db2.gz BNAGUJRMEUHHAX-MWLCHTKSSA-N -1 0 332.227 3.570 20 0 EHADRM O=C([O-])C1(C(=O)N[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)CC=CC1 ZINC001594854832 954218587 /nfs/dbraw/zinc/21/85/87/954218587.db2.gz UTPZTRZUJPRGNT-DZGCQCFKSA-N -1 0 333.815 3.513 20 0 EHADRM C[C@@H](NC(=O)c1ccccc1C(F)(F)F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655586286 954228777 /nfs/dbraw/zinc/22/87/77/954228777.db2.gz PWMUYKXLTXTRFT-JIMOISOXSA-N -1 0 343.345 3.571 20 0 EHADRM CC(C)[C@H]1CCCN(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1 ZINC000655905314 954287925 /nfs/dbraw/zinc/28/79/25/954287925.db2.gz TVWDBAKDVVJSAX-YHUYYLMFSA-N -1 0 338.492 3.590 20 0 EHADRM O=C([O-])[C@]1(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)CC=CCC1 ZINC001594869211 954333586 /nfs/dbraw/zinc/33/35/86/954333586.db2.gz JIMNOCZDYKZLNX-DDUZABMNSA-N -1 0 333.815 3.513 20 0 EHADRM CC(C)N(Cc1cccc(Cl)c1)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659422471 954347650 /nfs/dbraw/zinc/34/76/50/954347650.db2.gz VIRWZGNHNNWJNC-UHFFFAOYSA-N -1 0 338.835 3.515 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)CC=CC1 ZINC001594871204 954358576 /nfs/dbraw/zinc/35/85/76/954358576.db2.gz VPVVIXATEWDPRR-UHFFFAOYSA-N -1 0 347.374 3.589 20 0 EHADRM CCN(C(=O)C[C@@H](C)c1ccccc1C(F)(F)F)[C@@H](C)C(=O)[O-] ZINC000659769687 954368070 /nfs/dbraw/zinc/36/80/70/954368070.db2.gz AEQLFMZHRXMLEF-MNOVXSKESA-N -1 0 331.334 3.521 20 0 EHADRM CCN(C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1)[C@H](C)C(=O)[O-] ZINC000659773170 954369233 /nfs/dbraw/zinc/36/92/33/954369233.db2.gz VDMFQEYZLCXUCI-GHMZBOCLSA-N -1 0 331.334 3.521 20 0 EHADRM CCCCC[C@H]1CCCCN1C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000659783852 954373775 /nfs/dbraw/zinc/37/37/75/954373775.db2.gz BRBQKLUZRBGSFX-INIZCTEOSA-N -1 0 333.428 3.725 20 0 EHADRM O=C([O-])[C@@H]1CN(Cc2ncc(Cl)cc2Cl)Cc2ccccc21 ZINC000662222336 954392276 /nfs/dbraw/zinc/39/22/76/954392276.db2.gz GLECAVSQHWVCSS-CYBMUJFWSA-N -1 0 337.206 3.572 20 0 EHADRM CC1(C(=O)[O-])CCN(c2nc3cccc(OC(F)F)c3s2)CC1 ZINC000662884373 954399783 /nfs/dbraw/zinc/39/97/83/954399783.db2.gz SUHHHXZFJUCPBH-UHFFFAOYSA-N -1 0 342.367 3.589 20 0 EHADRM CO[C@@](C)(C(=O)[O-])C(=O)Nc1ccc(Oc2cc(C)cc(C)c2)cc1 ZINC000663076203 954452217 /nfs/dbraw/zinc/45/22/17/954452217.db2.gz UXSKMALZJCXQDI-LJQANCHMSA-N -1 0 343.379 3.524 20 0 EHADRM O=C([O-])C1(c2noc(CCSc3ccccc3Cl)n2)CCC1 ZINC001594887382 954476806 /nfs/dbraw/zinc/47/68/06/954476806.db2.gz OTJKIBWJUXLWKZ-UHFFFAOYSA-N -1 0 338.816 3.564 20 0 EHADRM CC[C@H](C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1ccc(OC)cc1 ZINC001589426765 954631667 /nfs/dbraw/zinc/63/16/67/954631667.db2.gz PWRZWWGGWIKEEB-HOTGVXAUSA-N -1 0 335.444 3.585 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)Nc2cccc(C(F)F)c2)c1 ZINC000386231064 972037891 /nfs/dbraw/zinc/03/78/91/972037891.db2.gz MGNHJGJPECVXOY-UHFFFAOYSA-N -1 0 334.322 3.687 20 0 EHADRM CC(C)[C@@H]1CCCN1c1ccc(NC(=O)C2(C(=O)[O-])CCC2)cc1F ZINC001603000003 972038209 /nfs/dbraw/zinc/03/82/09/972038209.db2.gz NRNHOQBPYUNSHX-HNNXBMFYSA-N -1 0 348.418 3.644 20 0 EHADRM O=C([O-])[C@@H]1CCCN(c2ccc(CNc3ccc4c(c3)CCC4)o2)C1 ZINC001594916966 954763101 /nfs/dbraw/zinc/76/31/01/954763101.db2.gz QMHJJZLQFSMMQI-MRXNPFEDSA-N -1 0 340.423 3.681 20 0 EHADRM CC[C@@H](CC(=O)N(CC(=O)[O-])CC(C)(C)C)c1ccc(OC)cc1 ZINC001589464151 954883862 /nfs/dbraw/zinc/88/38/62/954883862.db2.gz NYROMJSVJWLKFD-AWEZNQCLSA-N -1 0 335.444 3.538 20 0 EHADRM CC(C)C[C@H](CNC(=O)CCc1cccc2ccccc21)C(=O)[O-] ZINC001603005176 972056229 /nfs/dbraw/zinc/05/62/29/972056229.db2.gz VSNLASPKQOTFDA-QGZVFWFLSA-N -1 0 327.424 3.636 20 0 EHADRM CCC(CC)(CNC(=O)C1(Cc2cccc(Cl)c2)CC1)C(=O)[O-] ZINC001589487816 954997331 /nfs/dbraw/zinc/99/73/31/954997331.db2.gz PKCJCICJHLWCJP-UHFFFAOYSA-N -1 0 337.847 3.670 20 0 EHADRM CCC(CC)(CNC(=O)N1CC[C@H](c2ccc(C)cc2C)C1)C(=O)[O-] ZINC001589488908 955001574 /nfs/dbraw/zinc/00/15/74/955001574.db2.gz AIKHOCWIYZZXCH-INIZCTEOSA-N -1 0 346.471 3.693 20 0 EHADRM CCC(CC)(CNC(=O)N1c2ccc(Cl)cc2C[C@@H]1C)C(=O)[O-] ZINC001589489432 955009863 /nfs/dbraw/zinc/00/98/63/955009863.db2.gz LKYSCIDNHYQVIK-NSHDSACASA-N -1 0 338.835 3.692 20 0 EHADRM O=C([O-])/C=C\c1cc(-c2nc(Cc3ccc(Cl)cc3)no2)co1 ZINC001594963941 955031672 /nfs/dbraw/zinc/03/16/72/955031672.db2.gz AFHUMERRWAYCSQ-WAYWQWQTSA-N -1 0 330.727 3.672 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)co1 ZINC001594965180 955044158 /nfs/dbraw/zinc/04/41/58/955044158.db2.gz DHSTXMBJMGHFIP-CFHLNLSMSA-N -1 0 345.782 3.661 20 0 EHADRM CC[C@@H](CNC(=O)Nc1ccccc1C(=O)[O-])Oc1ccccc1F ZINC001589546587 955201950 /nfs/dbraw/zinc/20/19/50/955201950.db2.gz RIIGMYGFOQKEPA-LBPRGKRZSA-N -1 0 346.358 3.503 20 0 EHADRM CC[C@@H](CNC(=O)c1cc(Cl)ccc1OC1CCCC1)C(=O)[O-] ZINC001589548967 955206777 /nfs/dbraw/zinc/20/67/77/955206777.db2.gz BFDRUECLKMLDLY-NSHDSACASA-N -1 0 339.819 3.502 20 0 EHADRM Cc1ccccc1Oc1ccccc1CNC(=O)CCCC(=O)[O-] ZINC000753975439 955263036 /nfs/dbraw/zinc/26/30/36/955263036.db2.gz BHZGCMJLJYIGPW-UHFFFAOYSA-N -1 0 327.380 3.658 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C\C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000777382108 955336714 /nfs/dbraw/zinc/33/67/14/955336714.db2.gz DNJPIGVGJDOQCZ-FJVVXJACSA-N -1 0 345.439 3.590 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=S)Nc1ccccc1Oc1ccccc1 ZINC001589004829 955357538 /nfs/dbraw/zinc/35/75/38/955357538.db2.gz SLEPXJOWBJMXTB-GFCCVEGCSA-N -1 0 330.409 3.629 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001589013866 955410297 /nfs/dbraw/zinc/41/02/97/955410297.db2.gz MZGKOORXDCZWLZ-RDTXWAMCSA-N -1 0 343.398 3.727 20 0 EHADRM CC(C)CN(C(=O)c1ccc(C(=O)[O-])nc1)c1ccc(Cl)cc1 ZINC000826865122 955534847 /nfs/dbraw/zinc/53/48/47/955534847.db2.gz HQQSHIQEJADXCO-UHFFFAOYSA-N -1 0 332.787 3.736 20 0 EHADRM CC(C)C[C@H](CNC(=O)C(F)(F)c1ccc(Cl)cc1)CC(=O)[O-] ZINC001603042197 972104565 /nfs/dbraw/zinc/10/45/65/972104565.db2.gz KIYLAFUEVSTJIL-NSHDSACASA-N -1 0 347.789 3.685 20 0 EHADRM CC(C)C[C@H](NC(=O)Nc1ccccc1N1CCCCCC1)C(=O)[O-] ZINC001603047893 972111008 /nfs/dbraw/zinc/11/10/08/972111008.db2.gz AYKTTYGBWIJMBP-INIZCTEOSA-N -1 0 347.459 3.688 20 0 EHADRM C[C@@](CNC(=O)NCCCC1CCCCC1)(C(=O)[O-])c1ccccc1 ZINC001589054261 955683928 /nfs/dbraw/zinc/68/39/28/955683928.db2.gz VAHAJXBLEZFEQV-FQEVSTJZSA-N -1 0 346.471 3.689 20 0 EHADRM CC(C)Cn1c(SCCCC(=O)[O-])nnc1-c1ccccc1F ZINC001603054332 972120195 /nfs/dbraw/zinc/12/01/95/972120195.db2.gz OYYXBAJMNFYIPP-UHFFFAOYSA-N -1 0 337.420 3.697 20 0 EHADRM CC[C@@H](C)N(Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC000387389382 972121392 /nfs/dbraw/zinc/12/13/92/972121392.db2.gz OTHNPXWDNYTKAU-CYBMUJFWSA-N -1 0 327.384 3.612 20 0 EHADRM CC(C)c1ccc(C[C@@H](C)NC(=O)Nc2cc(C(=O)[O-])ccn2)cc1 ZINC001589079684 955843566 /nfs/dbraw/zinc/84/35/66/955843566.db2.gz VWNIIZAFOKQVIF-CYBMUJFWSA-N -1 0 341.411 3.656 20 0 EHADRM C[C@H](NC(=O)[C@H](C(=O)[O-])C(C)(C)C)c1ccccc1C(F)(F)F ZINC000852947591 955865596 /nfs/dbraw/zinc/86/55/96/955865596.db2.gz PDESABTXNCHTMR-JOYOIKCWSA-N -1 0 331.334 3.630 20 0 EHADRM C[C@@H](NC(=O)[C@]1(C(=O)[O-])CC1(C)C)C1(c2ccccc2)CCCC1 ZINC001589089038 955921425 /nfs/dbraw/zinc/92/14/25/955921425.db2.gz AARATYUSQPVRQZ-VLIAUNLRSA-N -1 0 329.440 3.504 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)/C=C\c2ccc(C(=O)[O-])o2)C1 ZINC000864111606 955938454 /nfs/dbraw/zinc/93/84/54/955938454.db2.gz IUXLIIPXMKQWMX-RLKNZVFVSA-N -1 0 339.391 3.704 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)/C=C/c2ccc(C(=O)[O-])o2)C1 ZINC000864111604 955939148 /nfs/dbraw/zinc/93/91/48/955939148.db2.gz IUXLIIPXMKQWMX-AZHOBDGFSA-N -1 0 339.391 3.704 20 0 EHADRM C[C@H](NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1cccc(Cl)c1Cl ZINC001589107965 956036583 /nfs/dbraw/zinc/03/65/83/956036583.db2.gz COCHIKAQDSCURS-AEJSXWLSSA-N -1 0 345.226 3.607 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000872718367 956060786 /nfs/dbraw/zinc/06/07/86/956060786.db2.gz PKVSZDZUDOOQNQ-AEFFLSMTSA-N -1 0 331.456 3.667 20 0 EHADRM C[C@H](NC(=O)Nc1snc2ccccc21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589113291 956068012 /nfs/dbraw/zinc/06/80/12/956068012.db2.gz KVLOYBSFKHXSSP-ZMLRMANQSA-N -1 0 347.440 3.553 20 0 EHADRM C[C@@H](NC(=O)Nc1snc2ccccc21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589113288 956068172 /nfs/dbraw/zinc/06/81/72/956068172.db2.gz KVLOYBSFKHXSSP-ADEWGFFLSA-N -1 0 347.440 3.553 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001603086494 972158493 /nfs/dbraw/zinc/15/84/93/972158493.db2.gz AJVKIJVQQGXDML-INIZCTEOSA-N -1 0 346.358 3.560 20 0 EHADRM C[C@H](N[C@H](Cc1ccccc1)C(=O)[O-])c1ncc(-c2ccccc2)o1 ZINC001589137085 956234759 /nfs/dbraw/zinc/23/47/59/956234759.db2.gz VDKLWTGEKOXMFP-WMLDXEAASA-N -1 0 336.391 3.688 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(C3SCCS3)c2)cn1 ZINC000879584073 956235877 /nfs/dbraw/zinc/23/58/77/956235877.db2.gz NBJWGARXXQCLCU-UHFFFAOYSA-N -1 0 346.433 3.511 20 0 EHADRM CC(C)c1nc([C@@H]2CCCCN2Cc2cccc(C(=O)[O-])c2)no1 ZINC001603107311 972185510 /nfs/dbraw/zinc/18/55/10/972185510.db2.gz ZTWLOHJXDSGDCL-HNNXBMFYSA-N -1 0 329.400 3.618 20 0 EHADRM C[C@@H](Sc1ccc(F)cc1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001589172286 956472040 /nfs/dbraw/zinc/47/20/40/956472040.db2.gz DTTXBNXFWUIGRR-LLVKDONJSA-N -1 0 333.384 3.572 20 0 EHADRM Cc1ccc(C[C@@H]2CCCN2C(=O)c2coc(/C=C\C(=O)[O-])c2)cc1 ZINC000901847964 956501577 /nfs/dbraw/zinc/50/15/77/956501577.db2.gz OUXIDVQQHFTWCU-JJEJIETFSA-N -1 0 339.391 3.533 20 0 EHADRM Cc1c(COc2ccccc2)cccc1NC(=O)[C@]1(C(=O)[O-])C[C@H]1C ZINC000901879811 956514726 /nfs/dbraw/zinc/51/47/26/956514726.db2.gz SNMNNMSEJVYSRM-XCLFUZPHSA-N -1 0 339.391 3.623 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2Cl)CC[C@@H]1C(=O)[O-] ZINC000902175476 956675709 /nfs/dbraw/zinc/67/57/09/956675709.db2.gz DYBFJYUFGSFNQK-WPRPVWTQSA-N -1 0 349.736 3.542 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)C[C@H]2CCC3(CCC3)O2)c1Cl ZINC001594678321 956677396 /nfs/dbraw/zinc/67/73/96/956677396.db2.gz LVXGLXXZGMCIHZ-SECBINFHSA-N -1 0 341.766 3.608 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)CC2CCSCC2)c1Cl ZINC001594678696 956682899 /nfs/dbraw/zinc/68/28/99/956682899.db2.gz CTKJWKIEVBOSHQ-UHFFFAOYSA-N -1 0 331.796 3.649 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N(Cc1ccccc1Cl)CC1CC1 ZINC001589211744 956695202 /nfs/dbraw/zinc/69/52/02/956695202.db2.gz LRGYQBJJRIOQSS-GOSISDBHSA-N -1 0 335.831 3.580 20 0 EHADRM O=C([O-])C1(NC(=O)CCc2cccc3ccccc32)CCCCC1 ZINC001594689352 956736781 /nfs/dbraw/zinc/73/67/81/956736781.db2.gz NZNCGQVUJWRNHR-UHFFFAOYSA-N -1 0 325.408 3.676 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)C2(C(=O)[O-])CCSCC2)c2ccccc21 ZINC001589224940 956785830 /nfs/dbraw/zinc/78/58/30/956785830.db2.gz QRIBWXVIICLIHD-OAHLLOKOSA-N -1 0 347.480 3.513 20 0 EHADRM CC1(C)CN(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)[C@@H]2CCC[C@@H]21 ZINC001589229304 956812369 /nfs/dbraw/zinc/81/23/69/956812369.db2.gz AQFVWHNWVIIAJP-LUKYLMHMSA-N -1 0 342.439 3.520 20 0 EHADRM Cc1cc(OCC(=O)Nc2ccc(C(=O)[O-])cc2)ccc1C(C)C ZINC000005697788 956872185 /nfs/dbraw/zinc/87/21/85/956872185.db2.gz KMCYDNGZRYXXIY-UHFFFAOYSA-N -1 0 327.380 3.834 20 0 EHADRM O=C([O-])c1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1 ZINC000007112574 956877769 /nfs/dbraw/zinc/87/77/69/956877769.db2.gz NRZQFXFTAIBDJC-GOSISDBHSA-N -1 0 348.358 3.745 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)SCc1ccccc1 ZINC000008906591 956887104 /nfs/dbraw/zinc/88/71/04/956887104.db2.gz IXPXPSBJJRYIAW-CYBMUJFWSA-N -1 0 329.421 3.954 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OCCOc1c(C)cccc1C ZINC000011797820 956891785 /nfs/dbraw/zinc/89/17/85/956891785.db2.gz WVMRMXLHLKNLMX-CSKARUKUSA-N -1 0 342.391 3.868 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OCCOc1cccc(C)c1 ZINC000011949927 956899007 /nfs/dbraw/zinc/89/90/07/956899007.db2.gz WAEJMOGDICCNOE-VQHVLOKHSA-N -1 0 328.364 3.559 20 0 EHADRM Cc1ccccc1-c1nnc(SCc2cccc(C(=O)[O-])c2)n1C ZINC000013061810 956922480 /nfs/dbraw/zinc/92/24/80/956922480.db2.gz NMHGIMGNZLHSIE-UHFFFAOYSA-N -1 0 339.420 3.781 20 0 EHADRM Cc1cccc(C)c1NC(=O)COc1ccc(C(=O)[O-])cc1Cl ZINC000013084792 956934168 /nfs/dbraw/zinc/93/41/68/956934168.db2.gz BEKGSKQEOIBSAU-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001603135804 972227930 /nfs/dbraw/zinc/22/79/30/972227930.db2.gz KXGXKTLVEPEFBT-FOIQADDNSA-N -1 0 329.440 3.670 20 0 EHADRM CCOc1c(Cl)cc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1OC ZINC000013166835 956948148 /nfs/dbraw/zinc/94/81/48/956948148.db2.gz AWWNUYPZDLCQEH-UHFFFAOYSA-N -1 0 349.770 3.698 20 0 EHADRM Cc1cccc(C)c1OCC(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000013167977 956950733 /nfs/dbraw/zinc/95/07/33/956950733.db2.gz JJPJFHLJDBJQCP-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM CC1(c2cccc(Cl)c2)CCN(C(=O)C2(C(=O)[O-])CC=CC2)CC1 ZINC001589253065 956968904 /nfs/dbraw/zinc/96/89/04/956968904.db2.gz FLIQAMYAHHXFRX-UHFFFAOYSA-N -1 0 347.842 3.641 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)/C=C/c1ccc(Cl)cc1 ZINC000013225165 956982573 /nfs/dbraw/zinc/98/25/73/956982573.db2.gz OIKNJXCFQPCKLS-IOTPJHQPSA-N -1 0 333.815 3.598 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NC1(c2c(Cl)cccc2Cl)CCC1 ZINC001594724502 956988746 /nfs/dbraw/zinc/98/87/46/956988746.db2.gz DPYOHUMELYUWRQ-VHSXEESVSA-N -1 0 342.222 3.600 20 0 EHADRM CCCCN([C@H](C)CC)S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000013251055 956991690 /nfs/dbraw/zinc/99/16/90/956991690.db2.gz HHRCVHZGUOKBMT-CYBMUJFWSA-N -1 0 341.473 3.591 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1 ZINC000013259779 956997996 /nfs/dbraw/zinc/99/79/96/956997996.db2.gz RPXPLMGQBVKPCL-UHFFFAOYSA-N -1 0 330.390 3.822 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2c[nH]cc2-c2ccccc2F)C1 ZINC000909479686 957021064 /nfs/dbraw/zinc/02/10/64/957021064.db2.gz SIYKXRZJUICEFT-CYBMUJFWSA-N -1 0 344.386 3.538 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)Cc1c(F)cccc1Cl ZINC000013390392 957043583 /nfs/dbraw/zinc/04/35/83/957043583.db2.gz DHEIJFRJMXGQJG-UHFFFAOYSA-N -1 0 347.773 3.699 20 0 EHADRM O=C([O-])CCCC(=O)N[C@@H]1C[C@@H](c2ccccc2)Oc2ccccc21 ZINC000911061920 957053791 /nfs/dbraw/zinc/05/37/91/957053791.db2.gz LTCMCUMVQRQVFJ-AEFFLSMTSA-N -1 0 339.391 3.623 20 0 EHADRM CC[C@@H](C)c1ccc(NC(=O)COc2ccc(CC(=O)[O-])cc2)cc1 ZINC000013420748 957064537 /nfs/dbraw/zinc/06/45/37/957064537.db2.gz BKFXFSGYNJAIQP-CQSZACIVSA-N -1 0 341.407 3.845 20 0 EHADRM COc1ccc2cc(C(=O)Nc3ccc(CC(=O)[O-])cc3)ccc2c1 ZINC000013440038 957077291 /nfs/dbraw/zinc/07/72/91/957077291.db2.gz XOSUMUIQXLZANL-UHFFFAOYSA-N -1 0 335.359 3.728 20 0 EHADRM Cc1cc2occ(CC(=O)N(C)c3ccccc3C(=O)[O-])c2cc1C ZINC000013440707 957078997 /nfs/dbraw/zinc/07/89/97/957078997.db2.gz MJJNWEHDMGKSGJ-UHFFFAOYSA-N -1 0 337.375 3.953 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)N3CCc4cc(C(=O)[O-])ccc43)cc2C1 ZINC000013448031 957087107 /nfs/dbraw/zinc/08/71/07/957087107.db2.gz FIHFWFNAPVZACH-LLVKDONJSA-N -1 0 341.432 3.774 20 0 EHADRM CC(C)OCc1ccc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)cc1 ZINC000013449394 957088133 /nfs/dbraw/zinc/08/81/33/957088133.db2.gz AOHQOXSZPLMBBS-UHFFFAOYSA-N -1 0 339.391 3.513 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1cc(F)c(F)cc1Cl ZINC000013449217 957088338 /nfs/dbraw/zinc/08/83/38/957088338.db2.gz FXTAGNMUGLVNTB-UHFFFAOYSA-N -1 0 337.709 3.519 20 0 EHADRM Cc1ccc(OCC(=O)N[C@H](c2ccccc2)C(C)C)c(C(=O)[O-])c1 ZINC000013456783 957090454 /nfs/dbraw/zinc/09/04/54/957090454.db2.gz KSBYKXRPFRASLL-IBGZPJMESA-N -1 0 341.407 3.586 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OCC(=O)Nc1cccc(C(C)C)c1 ZINC000013457833 957091364 /nfs/dbraw/zinc/09/13/64/957091364.db2.gz SNBPZUKUXSKIHK-UHFFFAOYSA-N -1 0 327.380 3.834 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2cccc(OC(C)C)c2)C1 ZINC000926133485 957145954 /nfs/dbraw/zinc/14/59/54/957145954.db2.gz MAXLENLLDUQMBO-SFHVURJKSA-N -1 0 334.416 3.583 20 0 EHADRM CCCC[C@@H](NC(=O)c1sc2ccccc2c1Cl)C(=O)[O-] ZINC000035095389 957196639 /nfs/dbraw/zinc/19/66/39/957196639.db2.gz KMFHQXGLXJNGIN-SNVBAGLBSA-N -1 0 325.817 3.928 20 0 EHADRM CCC[C@@](C)(NC(=O)[C@H](C)Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000036338189 957230781 /nfs/dbraw/zinc/23/07/81/957230781.db2.gz OHOKYZWUUWTLSM-ZUZCIYMTSA-N -1 0 329.849 3.580 20 0 EHADRM CCC[C@@](C)(NC(=O)CCSc1ccc(Cl)cc1)C(=O)[O-] ZINC000036338331 957231115 /nfs/dbraw/zinc/23/11/15/957231115.db2.gz YVUJTGYGPWXGCD-OAHLLOKOSA-N -1 0 329.849 3.582 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)c1sc2ccccc2c1Cl)C(=O)[O-] ZINC000037410960 957278726 /nfs/dbraw/zinc/27/87/26/957278726.db2.gz FLSCWVIEBNLUKT-PRHODGIISA-N -1 0 325.817 3.784 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1sc2ccccc2c1Cl ZINC000037589800 957311094 /nfs/dbraw/zinc/31/10/94/957311094.db2.gz JMMVBQYJPKSXDD-SECBINFHSA-N -1 0 325.817 3.880 20 0 EHADRM CCCC[C@@H](Sc1ccc2nnc(-c3ccccc3)n2n1)C(=O)[O-] ZINC000060132820 957569914 /nfs/dbraw/zinc/56/99/14/957569914.db2.gz KWAFZCSZTLFOPI-CYBMUJFWSA-N -1 0 342.424 3.527 20 0 EHADRM Cc1cc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])nn1C1CCCCC1 ZINC001594275279 957712420 /nfs/dbraw/zinc/71/24/20/957712420.db2.gz FIEOVAGPWRMERW-HNNXBMFYSA-N -1 0 347.459 3.556 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1Nc1nc2cccc(OC(F)F)c2s1 ZINC001574754311 957727598 /nfs/dbraw/zinc/72/75/98/957727598.db2.gz CBBKGYMMYBPEDJ-SFYZADRCSA-N -1 0 328.340 3.563 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC001574770753 957758017 /nfs/dbraw/zinc/75/80/17/957758017.db2.gz VNLNTWAXLOPZKL-ZIAGYGMSSA-N -1 0 336.347 3.544 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NCC(F)(F)c2ccccc2C)c1 ZINC001594287248 957788916 /nfs/dbraw/zinc/78/89/16/957788916.db2.gz WHIBYXONIKDABO-UHFFFAOYSA-N -1 0 333.334 3.523 20 0 EHADRM CSC[C@H]1CCCN(C(=O)Nc2cc(Cl)ccc2C(=O)[O-])C1 ZINC000390539853 972292957 /nfs/dbraw/zinc/29/29/57/972292957.db2.gz MGAMEQHUULFSGI-JTQLQIEISA-N -1 0 342.848 3.645 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)OCc2nc3ccccc3s2)c1 ZINC001594289131 957808014 /nfs/dbraw/zinc/80/80/14/957808014.db2.gz LIWILRCXIWGJFK-UHFFFAOYSA-N -1 0 327.361 3.660 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)nc1 ZINC001574805062 957854109 /nfs/dbraw/zinc/85/41/09/957854109.db2.gz PANYDTULRQESRX-UHFFFAOYSA-N -1 0 346.342 3.656 20 0 EHADRM Cc1cc(C)cc(C[C@H](C)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)c1 ZINC001594294924 957868361 /nfs/dbraw/zinc/86/83/61/957868361.db2.gz NVDMCSJGLZQOHJ-WMZOPIPTSA-N -1 0 348.487 3.671 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N(Cc2cccc(F)c2)C2CC2)c1 ZINC001574809990 957871547 /nfs/dbraw/zinc/87/15/47/957871547.db2.gz ZCPSXPRJUHOTDC-UHFFFAOYSA-N -1 0 328.343 3.720 20 0 EHADRM CCCc1cc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)sc1C ZINC000391137423 972319089 /nfs/dbraw/zinc/31/90/89/972319089.db2.gz BBQDRILTAHPPNU-AWEZNQCLSA-N -1 0 337.485 3.972 20 0 EHADRM CCCc1cc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)sc1C ZINC000391137426 972319155 /nfs/dbraw/zinc/31/91/55/972319155.db2.gz BBQDRILTAHPPNU-CQSZACIVSA-N -1 0 337.485 3.972 20 0 EHADRM Cc1cc(=O)[nH]c2ccc(NC(=O)C3(C(=O)[O-])CCCCCC3)cc12 ZINC001594326355 958176485 /nfs/dbraw/zinc/17/64/85/958176485.db2.gz CBHHPOOKEVRJBW-UHFFFAOYSA-N -1 0 342.395 3.613 20 0 EHADRM CC[C@@H](CNC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1)C(=O)[O-] ZINC001357173862 958189536 /nfs/dbraw/zinc/18/95/36/958189536.db2.gz HOVBYMHAWVEAPQ-SUMWQHHRSA-N -1 0 343.427 3.515 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001594331092 958219282 /nfs/dbraw/zinc/21/92/82/958219282.db2.gz ILEMLUZKJLEATL-AWEZNQCLSA-N -1 0 343.383 3.516 20 0 EHADRM Cc1cc2cc(C(=O)Nc3ccc(O)c(C(=O)[O-])c3)oc2cc1C ZINC001594331069 958219643 /nfs/dbraw/zinc/21/96/43/958219643.db2.gz HNUIOKJIWDIACM-UHFFFAOYSA-N -1 0 325.320 3.706 20 0 EHADRM Cc1cc2ccccc2n1CC(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC001594331885 958233517 /nfs/dbraw/zinc/23/35/17/958233517.db2.gz DYFWNUNAIVJMAE-UHFFFAOYSA-N -1 0 348.402 3.627 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccnc3ccccc32)ccc1Cl ZINC000391349138 972330494 /nfs/dbraw/zinc/33/04/94/972330494.db2.gz CYPHNJWGOCSFPK-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM Cc1ccc(-c2cc(NC(=O)Nc3ccc(C(=O)[O-])c(C)c3)n[nH]2)o1 ZINC001594334034 958250525 /nfs/dbraw/zinc/25/05/25/958250525.db2.gz KXJNCXPLTARQRU-UHFFFAOYSA-N -1 0 340.339 3.629 20 0 EHADRM Cc1ccc([C@H](NC(=O)[C@@H](C)C(=O)[O-])c2ccc(F)cc2Cl)cc1 ZINC001594351226 958357351 /nfs/dbraw/zinc/35/73/51/958357351.db2.gz WSXSWOQUBXHYQI-BZNIZROVSA-N -1 0 349.789 3.714 20 0 EHADRM C[C@](NC(=O)CCCCc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC001603220472 972341315 /nfs/dbraw/zinc/34/13/15/972341315.db2.gz OJQQWPIEQYXMJR-HXUWFJFHSA-N -1 0 325.408 3.516 20 0 EHADRM Cc1ccc([C@@H]2CCN(C(=O)NC[C@@H](C(=O)[O-])C(C)C)C2(C)C)cc1 ZINC001594354138 958397209 /nfs/dbraw/zinc/39/72/09/958397209.db2.gz PBQMQYOACZQYGJ-SJORKVTESA-N -1 0 346.471 3.629 20 0 EHADRM Cc1ccc(C[C@@H]2CCCN(C(=O)[C@@H](C(=O)[O-])C(C)(C)C)C2)cc1 ZINC001594354804 958403550 /nfs/dbraw/zinc/40/35/50/958403550.db2.gz HIJDVOWFCUSUAP-IRXDYDNUSA-N -1 0 331.456 3.523 20 0 EHADRM Cc1ccc(CN(C(=O)Nc2cccnc2C(=O)[O-])C2CC2)cc1C ZINC001594358998 958434310 /nfs/dbraw/zinc/43/43/10/958434310.db2.gz NXGVTPLPIHFRBV-UHFFFAOYSA-N -1 0 339.395 3.593 20 0 EHADRM COc1ccc([C@@H](C)OC(=O)c2coc(/C=C\C(=O)[O-])c2)cc1C ZINC001594112121 958519899 /nfs/dbraw/zinc/51/98/99/958519899.db2.gz XFONFKYUTBBKGW-SMYYYNMVSA-N -1 0 330.336 3.612 20 0 EHADRM Cc1nc(NCc2sccc2Br)ccc1C(=O)[O-] ZINC000124326935 958528347 /nfs/dbraw/zinc/52/83/47/958528347.db2.gz NNPMTULJYSRVIV-UHFFFAOYSA-N -1 0 327.203 3.524 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](C)C(=O)[O-])cc1OCC1CCCCC1 ZINC001594373044 958556385 /nfs/dbraw/zinc/55/63/85/958556385.db2.gz XUNDWZURSFKSFS-ZDUSSCGKSA-N -1 0 334.416 3.549 20 0 EHADRM Cc1ccc(OC(=O)[C@@H](C(=O)[O-])C2CCCC2)c(Br)c1 ZINC001594374005 958572793 /nfs/dbraw/zinc/57/27/93/958572793.db2.gz ACVMMWFYXOKDJO-CYBMUJFWSA-N -1 0 341.201 3.554 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001588480333 958587476 /nfs/dbraw/zinc/58/74/76/958587476.db2.gz IQHLLUPVXBPMAZ-LSSBLYJVSA-N -1 0 335.403 3.609 20 0 EHADRM COc1cccc(-c2nc3ccccc3c(NCCCC(=O)[O-])n2)c1 ZINC001594119945 958588101 /nfs/dbraw/zinc/58/81/01/958588101.db2.gz JSWRXTXPGFNPND-UHFFFAOYSA-N -1 0 337.379 3.582 20 0 EHADRM COc1ccc2sc(C(=O)Nc3ccc(C(=O)[O-])cn3)c(C)c2c1 ZINC001594120189 958596003 /nfs/dbraw/zinc/59/60/03/958596003.db2.gz ZPNANVCLKLZFNW-UHFFFAOYSA-N -1 0 342.376 3.564 20 0 EHADRM Cc1ccc([C@@H]2C[C@H]2C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc1C ZINC001594378405 958610444 /nfs/dbraw/zinc/61/04/44/958610444.db2.gz YHRNWAWUZZQUPU-UEXGIBASSA-N -1 0 337.419 3.523 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])c1 ZINC001594123406 958610907 /nfs/dbraw/zinc/61/09/07/958610907.db2.gz JUZCWTYFPQPQSE-ZRGWGRIASA-N -1 0 347.455 3.681 20 0 EHADRM C[C@H](C(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001573364800 958617555 /nfs/dbraw/zinc/61/75/55/958617555.db2.gz QTWHGTWRQBGVRC-VYUIOLGVSA-N -1 0 330.211 3.561 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CCOc1c(C)cccc1C ZINC000391729213 972362578 /nfs/dbraw/zinc/36/25/78/972362578.db2.gz ZZUVMCSTELOWCF-UHFFFAOYSA-N -1 0 327.380 3.718 20 0 EHADRM Cc1ccc2cccc(C(=O)N[C@H]3C[C@@H](C(=O)[O-])c4ccccc43)c2n1 ZINC001594382579 958647866 /nfs/dbraw/zinc/64/78/66/958647866.db2.gz FSYHIFKLBOKLJC-MSOLQXFVSA-N -1 0 346.386 3.586 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1cc(-c2ccccc2F)on1 ZINC001594391137 958722382 /nfs/dbraw/zinc/72/23/82/958722382.db2.gz WJRYTLZCNDZFFI-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM Cc1c2ccccc2oc1C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000391784226 972372576 /nfs/dbraw/zinc/37/25/76/972372576.db2.gz RCYJZKYEQWWURS-UHFFFAOYSA-N -1 0 331.274 3.970 20 0 EHADRM Cc1cccc([C@H](NC(=O)Nc2nc(C3CCC3)cs2)C(=O)[O-])c1 ZINC001594394389 958755853 /nfs/dbraw/zinc/75/58/53/958755853.db2.gz SSVFDROHEANHKZ-AWEZNQCLSA-N -1 0 345.424 3.666 20 0 EHADRM O=C([O-])C1(NC(=O)c2cc(Cl)c(F)cc2Cl)CCCCC1 ZINC001605735824 972374715 /nfs/dbraw/zinc/37/47/15/972374715.db2.gz BRYAXHWPKWFFQO-UHFFFAOYSA-N -1 0 334.174 3.650 20 0 EHADRM Cc1ccccc1C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000132310179 958780794 /nfs/dbraw/zinc/78/07/94/958780794.db2.gz RQOBODXPYFCIIH-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM Cc1c(Cl)cccc1C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000391865089 972383823 /nfs/dbraw/zinc/38/38/23/972383823.db2.gz SVENYXHAQXAJMF-MRXNPFEDSA-N -1 0 331.799 3.984 20 0 EHADRM Cc1cccc(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])c1OCc1ccccc1 ZINC001594407916 958917001 /nfs/dbraw/zinc/91/70/01/958917001.db2.gz TXJPQMZAGGWQMX-HZPDHXFCSA-N -1 0 339.391 3.623 20 0 EHADRM Cc1sc(NCc2ccc(Br)s2)nc1C(=O)[O-] ZINC000137317716 958923454 /nfs/dbraw/zinc/92/34/54/958923454.db2.gz ZHCIXWVMSHSINZ-UHFFFAOYSA-N -1 0 333.232 3.586 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001573463021 958923530 /nfs/dbraw/zinc/92/35/30/958923530.db2.gz VOOARPSWHNBQIS-INIZCTEOSA-N -1 0 329.371 3.679 20 0 EHADRM Cc1cccc2c1CCC[C@H]2NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001594413003 958961979 /nfs/dbraw/zinc/96/19/79/958961979.db2.gz QCXFDIURTPVTPI-MAUKXSAKSA-N -1 0 344.455 3.659 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)c2cccc(C(F)F)c2)c2ccccc21 ZINC001605743714 972390431 /nfs/dbraw/zinc/39/04/31/972390431.db2.gz OAWDGUFVVXGYMG-CABCVRRESA-N -1 0 331.318 3.667 20 0 EHADRM C[C@@H](C(=O)N1CCCC[C@H]1CCC(=O)[O-])c1cn(C)c2ccccc12 ZINC001588551085 959018595 /nfs/dbraw/zinc/01/85/95/959018595.db2.gz QIDPYNYRZGZTRR-CABCVRRESA-N -1 0 342.439 3.528 20 0 EHADRM O=C([O-])c1cccc(F)c1NC(=O)c1sccc1Br ZINC000150251985 959036983 /nfs/dbraw/zinc/03/69/83/959036983.db2.gz XEWTZMWREAKCND-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM CC(C)[C@H](CNC(=O)c1ccc(OCC2CCCCC2)cc1)C(=O)[O-] ZINC001573499228 959049073 /nfs/dbraw/zinc/04/90/73/959049073.db2.gz SEBJAIRPTLJSKF-SFHVURJKSA-N -1 0 347.455 3.732 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC000157806211 959075773 /nfs/dbraw/zinc/07/57/73/959075773.db2.gz BKZXZUUNSDMCIX-UHFFFAOYSA-N -1 0 348.196 3.719 20 0 EHADRM O=C([O-])CCCc1csc(NC(=O)c2sccc2Cl)n1 ZINC000159984575 959137966 /nfs/dbraw/zinc/13/79/66/959137966.db2.gz RQSPPPOVPVEVNZ-UHFFFAOYSA-N -1 0 330.818 3.518 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000160961229 959161671 /nfs/dbraw/zinc/16/16/71/959161671.db2.gz VAWSTGHCASKCNQ-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM CSc1ccc([C@@H](C)NC(=O)NCc2ccccc2C(=O)[O-])cc1 ZINC001594193062 959174126 /nfs/dbraw/zinc/17/41/26/959174126.db2.gz MKVWZSQIMORZNR-GFCCVEGCSA-N -1 0 344.436 3.667 20 0 EHADRM CSc1ccc(Cl)c(C(=O)NCc2ccccc2C(=O)[O-])c1 ZINC001594193202 959175743 /nfs/dbraw/zinc/17/57/43/959175743.db2.gz AESMQUGZCOWJQL-UHFFFAOYSA-N -1 0 335.812 3.690 20 0 EHADRM CSc1ccc(CCCC(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC001594194302 959185731 /nfs/dbraw/zinc/18/57/31/959185731.db2.gz HNNPPFTUWGQMFA-UHFFFAOYSA-N -1 0 335.469 3.635 20 0 EHADRM CSc1ccc(/C=C\C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)s1 ZINC001594195276 959191454 /nfs/dbraw/zinc/19/14/54/959191454.db2.gz WYZUKRWDNPBXGU-SECOEOQKSA-N -1 0 347.461 3.599 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)c1 ZINC001573544226 959200567 /nfs/dbraw/zinc/20/05/67/959200567.db2.gz UTNDSNVELQCJKK-VKJFTORMSA-N -1 0 331.456 3.700 20 0 EHADRM Cc1csc(-c2ccc(NC(=O)N([C@H](C)C(=O)[O-])C3CC3)cc2)n1 ZINC001594435834 959230620 /nfs/dbraw/zinc/23/06/20/959230620.db2.gz NYLHXBGTVXTPDW-LLVKDONJSA-N -1 0 345.424 3.588 20 0 EHADRM CC(C)c1ccc(SCC(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])cc1 ZINC001573567009 959293167 /nfs/dbraw/zinc/29/31/67/959293167.db2.gz PIXWDOIZKKUKLH-SUMWQHHRSA-N -1 0 335.469 3.614 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)Nc1cccc2c1ccn2C(F)F)C1CC1 ZINC001588585873 959310807 /nfs/dbraw/zinc/31/08/07/959310807.db2.gz GETLQPDPCMMDDS-VIFPVBQESA-N -1 0 337.326 3.506 20 0 EHADRM C[C@H](CC(=O)N[C@H](C(=O)[O-])c1ccccc1)c1c[nH]c2ccccc21 ZINC001573574947 959319439 /nfs/dbraw/zinc/31/94/39/959319439.db2.gz AYFZNSFFLIPYNK-YJYMSZOUSA-N -1 0 336.391 3.604 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)O[C@@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC001588586979 959319659 /nfs/dbraw/zinc/31/96/59/959319659.db2.gz UZKQMAANXPUJJZ-MUWHJKNJSA-N -1 0 344.207 3.573 20 0 EHADRM Cc1cc(N(C)C)cc(C)c1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000178890098 959431253 /nfs/dbraw/zinc/43/12/53/959431253.db2.gz ABTDPNQNPOKQHX-UHFFFAOYSA-N -1 0 332.444 3.733 20 0 EHADRM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000180109549 959438590 /nfs/dbraw/zinc/43/85/90/959438590.db2.gz CAOHLHTUUSWJFE-NEPJUHHUSA-N -1 0 344.238 3.843 20 0 EHADRM CC(NC(=O)c1cc(C(=O)[O-])co1)(c1ccccc1)c1ccccc1 ZINC000183785004 959448596 /nfs/dbraw/zinc/44/85/96/959448596.db2.gz DRTSXOVMIVARIM-UHFFFAOYSA-N -1 0 335.359 3.671 20 0 EHADRM C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001573608465 959465341 /nfs/dbraw/zinc/46/53/41/959465341.db2.gz RPHPBEOBXCIUPZ-GARJFASQSA-N -1 0 344.238 3.542 20 0 EHADRM CC(C)c1cccc(NC(=O)CN(C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000392248334 972433419 /nfs/dbraw/zinc/43/34/19/972433419.db2.gz SCASFIGNRYKMFO-UHFFFAOYSA-N -1 0 340.423 3.579 20 0 EHADRM CC(C)(C(=O)Nc1cccc(CC(=O)[O-])c1)c1ccc(F)cc1F ZINC001588610988 959506860 /nfs/dbraw/zinc/50/68/60/959506860.db2.gz GTKSYZWQMRPJCR-UHFFFAOYSA-N -1 0 333.334 3.508 20 0 EHADRM O=C([O-])CCCCCNC(=O)C1(c2ccc(F)cc2F)CCCC1 ZINC000190879600 959526153 /nfs/dbraw/zinc/52/61/53/959526153.db2.gz XNVRZBNZVRPOKL-UHFFFAOYSA-N -1 0 339.382 3.538 20 0 EHADRM C[C@@](NC(=O)c1ccc(C(=O)[O-])cc1)(c1ccccc1)C(F)(F)F ZINC001573624013 959528413 /nfs/dbraw/zinc/52/84/13/959528413.db2.gz ZHIMVFALTQTWAN-MRXNPFEDSA-N -1 0 337.297 3.592 20 0 EHADRM COc1cc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)ccc1Cl ZINC000191022042 959537063 /nfs/dbraw/zinc/53/70/63/959537063.db2.gz IKBSSTHEMUJNTG-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM CCCC[C@@H](NC(=O)c1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000191235769 959547921 /nfs/dbraw/zinc/54/79/21/959547921.db2.gz GIHZFXDYPIPYHA-CYBMUJFWSA-N -1 0 331.334 3.555 20 0 EHADRM CN(C(=O)CC1CCC(C(F)(F)F)CC1)C1(C(=O)[O-])CCCCC1 ZINC000191290871 959549348 /nfs/dbraw/zinc/54/93/48/959549348.db2.gz ILBJMMHTNMIYFM-UHFFFAOYSA-N -1 0 349.393 3.991 20 0 EHADRM CSc1ccc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1 ZINC000191386993 959557425 /nfs/dbraw/zinc/55/74/25/959557425.db2.gz ICNQQFZTQANWIQ-LBPRGKRZSA-N -1 0 329.421 3.924 20 0 EHADRM CC(C)c1ncc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)s1 ZINC000191416589 959563675 /nfs/dbraw/zinc/56/36/75/959563675.db2.gz IPJCCGJSJSGYSI-NSHDSACASA-N -1 0 332.425 3.782 20 0 EHADRM COc1cc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)ccc1C ZINC000191429972 959566838 /nfs/dbraw/zinc/56/68/38/959566838.db2.gz KSMSPVCMVYBZJW-CYBMUJFWSA-N -1 0 327.380 3.519 20 0 EHADRM CCOc1ccc(CC(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1 ZINC000191438636 959567618 /nfs/dbraw/zinc/56/76/18/959567618.db2.gz JJWBGCVZCPTRFL-AWEZNQCLSA-N -1 0 341.407 3.530 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2scnc2C2CC2)cc1)C(=O)[O-] ZINC000191437869 959567774 /nfs/dbraw/zinc/56/77/74/959567774.db2.gz NXIHSXLZGDOJFV-SNVBAGLBSA-N -1 0 330.409 3.536 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2scnc2C2CC2)cc1)C(=O)[O-] ZINC000191437853 959568134 /nfs/dbraw/zinc/56/81/34/959568134.db2.gz NXIHSXLZGDOJFV-JTQLQIEISA-N -1 0 330.409 3.536 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)Cn2ccc3ccccc32)cc1)C(=O)[O-] ZINC000191432322 959568661 /nfs/dbraw/zinc/56/86/61/959568661.db2.gz IBRFYCVVASAPJH-AWEZNQCLSA-N -1 0 336.391 3.543 20 0 EHADRM Cc1ccc(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)c(C)c1 ZINC000191524358 959577630 /nfs/dbraw/zinc/57/76/30/959577630.db2.gz RVUDNBKNLBDKSJ-QGZVFWFLSA-N -1 0 325.408 3.509 20 0 EHADRM COc1cccc(Cl)c1CC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000192883802 959594022 /nfs/dbraw/zinc/59/40/22/959594022.db2.gz SGDBWGARAGKBNZ-UHFFFAOYSA-N -1 0 333.771 3.536 20 0 EHADRM C[C@H](C(=O)Nc1ccc(OCCCC(=O)[O-])cc1)c1ccccc1 ZINC000192896741 959596325 /nfs/dbraw/zinc/59/63/25/959596325.db2.gz WOHUYLBPFSDMTD-AWEZNQCLSA-N -1 0 327.380 3.672 20 0 EHADRM Cc1cc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c2ccccc2n1 ZINC000192893244 959596735 /nfs/dbraw/zinc/59/67/35/959596735.db2.gz HUDYDCXONRVWTG-UHFFFAOYSA-N -1 0 334.375 3.514 20 0 EHADRM CCCC[C@@H](NC(=O)c1ccc(Cl)cc1SCC)C(=O)[O-] ZINC000192915474 959596909 /nfs/dbraw/zinc/59/69/09/959596909.db2.gz RFXMSVVSLDYLIH-GFCCVEGCSA-N -1 0 329.849 3.825 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000192929469 959598415 /nfs/dbraw/zinc/59/84/15/959598415.db2.gz BGDDEUVJMUOETG-INIZCTEOSA-N -1 0 339.391 3.693 20 0 EHADRM Cc1cc(Cl)c(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)cc1C ZINC000193076457 959611381 /nfs/dbraw/zinc/61/13/81/959611381.db2.gz LXIFSUQGIGUSDL-LJQANCHMSA-N -1 0 345.826 3.729 20 0 EHADRM CCC1CCC(NC(=O)Cc2c(C)cc(C)cc2C)(C(=O)[O-])CC1 ZINC000197140146 959629561 /nfs/dbraw/zinc/62/95/61/959629561.db2.gz ZPCTWAUOKSHHJA-UHFFFAOYSA-N -1 0 331.456 3.694 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC001588634250 959634101 /nfs/dbraw/zinc/63/41/01/959634101.db2.gz NSRBPSKLSXSYIQ-BBWFWOEESA-N -1 0 325.408 3.559 20 0 EHADRM Cc1c(C(=O)Nc2cccc(CC(=O)[O-])c2)ccn1Cc1ccccc1 ZINC001594258856 959673137 /nfs/dbraw/zinc/67/31/37/959673137.db2.gz LQIWAWZZFUEQME-UHFFFAOYSA-N -1 0 348.402 3.724 20 0 EHADRM CC1(C)C[C@]1(NC(=O)NCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001573668133 959717225 /nfs/dbraw/zinc/71/72/25/959717225.db2.gz XDJCFVPYZPVZPR-FQEVSTJZSA-N -1 0 338.407 3.509 20 0 EHADRM CC1(C)CCc2nc(NC(=O)c3cccc(C(=O)[O-])c3)sc2C1 ZINC001573674763 959720713 /nfs/dbraw/zinc/72/07/13/959720713.db2.gz DHPUHWGAUHBDII-UHFFFAOYSA-N -1 0 330.409 3.609 20 0 EHADRM O=C([O-])[C@@H](NC(=O)/C=C\c1ccc(Cl)s1)C1CCCCC1 ZINC000213438800 959721300 /nfs/dbraw/zinc/72/13/00/959721300.db2.gz OWUHCKPAAGOTLT-LEJCZOIISA-N -1 0 327.833 3.564 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2cc(Cl)sc2Cl)cc1 ZINC000223834036 959843465 /nfs/dbraw/zinc/84/34/65/959843465.db2.gz YVHDYANPNKHFBP-UHFFFAOYSA-N -1 0 330.192 3.934 20 0 EHADRM CCC1CCC(NC(=O)c2ccc3ccccc3c2O)(C(=O)[O-])CC1 ZINC000392290911 972465086 /nfs/dbraw/zinc/46/50/86/972465086.db2.gz KOBOSJZTUVPWMO-UHFFFAOYSA-N -1 0 341.407 3.699 20 0 EHADRM Cc1cc(C(=O)[O-])nc(N[C@H](C)c2ccc(Cl)cc2Cl)n1 ZINC000231946795 960216510 /nfs/dbraw/zinc/21/65/10/960216510.db2.gz AMUHDCKQTNGWKM-MRVPVSSYSA-N -1 0 326.183 3.963 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)Nc1cccc(Cl)c1F)C2 ZINC000392452787 972488210 /nfs/dbraw/zinc/48/82/10/972488210.db2.gz DWTBUTZLPVAAEM-UHFFFAOYSA-N -1 0 348.761 3.768 20 0 EHADRM CCc1cc(Br)ccc1NCc1cccc(C(=O)[O-])n1 ZINC000234120302 960339895 /nfs/dbraw/zinc/33/98/95/960339895.db2.gz DVFPZEURDKBRLG-UHFFFAOYSA-N -1 0 335.201 3.717 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2ccoc2Br)s1 ZINC000234154017 960341607 /nfs/dbraw/zinc/34/16/07/960341607.db2.gz PRPJYJOKGATKLI-UHFFFAOYSA-N -1 0 344.186 3.617 20 0 EHADRM CC(C)(C)Cc1ncc(C(=O)NC2(C(=O)[O-])CCCCCC2)s1 ZINC001588657918 960419244 /nfs/dbraw/zinc/41/92/44/960419244.db2.gz AIVWKILILKHOBL-UHFFFAOYSA-N -1 0 338.473 3.639 20 0 EHADRM COc1cccc([C@@H](C)CCCC(=O)Nc2cncc(C(=O)[O-])c2)c1 ZINC001574233094 960423361 /nfs/dbraw/zinc/42/33/61/960423361.db2.gz KEBCAEPGGSPGCX-ZDUSSCGKSA-N -1 0 342.395 3.701 20 0 EHADRM C[C@@H](NC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)c1cccc2ccccc21 ZINC001573735111 960428803 /nfs/dbraw/zinc/42/88/03/960428803.db2.gz AKEJEEALYHPDID-PMUMKWKESA-N -1 0 340.423 3.653 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000235425055 960431004 /nfs/dbraw/zinc/43/10/04/960431004.db2.gz LFILZYANLKMJFE-CYBMUJFWSA-N -1 0 333.171 3.593 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)CCSc1ccc(Cl)cc1 ZINC000263133743 1125472699 /nfs/dbraw/zinc/47/26/99/1125472699.db2.gz DBEKWSBLMCLSQZ-BXUZGUMPSA-N -1 0 341.860 3.534 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC000392694788 972511571 /nfs/dbraw/zinc/51/15/71/972511571.db2.gz MEJGXPYKHUJCHO-UHFFFAOYSA-N -1 0 341.407 3.810 20 0 EHADRM CSc1cc(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)ccc1F ZINC001574257596 960545184 /nfs/dbraw/zinc/54/51/84/960545184.db2.gz QXTQCYDVTAJRGZ-ZFWWWQNUSA-N -1 0 345.395 3.591 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N[C@H]2CCc3cc(Cl)ccc32)cc1 ZINC001605800512 972514070 /nfs/dbraw/zinc/51/40/70/972514070.db2.gz ZONHSJJBRXRNSY-INIZCTEOSA-N -1 0 344.798 3.525 20 0 EHADRM C[C@H]1Cc2cc(Cl)ccc2N1C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001573757589 960569218 /nfs/dbraw/zinc/56/92/18/960569218.db2.gz IPOBWKNQGKOVAL-QBBOHKLWSA-N -1 0 331.755 3.622 20 0 EHADRM O=C([O-])CCc1csc(Cc2ccc(Br)cc2)n1 ZINC000236427252 960582151 /nfs/dbraw/zinc/58/21/51/960582151.db2.gz FBDSRGOGUJWREX-UHFFFAOYSA-N -1 0 326.215 3.514 20 0 EHADRM Cc1c(C(=O)Nc2sccc2C(=O)[O-])cnn1C1CCCCC1 ZINC001574297881 960705700 /nfs/dbraw/zinc/70/57/00/960705700.db2.gz MBKQBNNZAAOLFW-UHFFFAOYSA-N -1 0 333.413 3.709 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000236578801 960710208 /nfs/dbraw/zinc/71/02/08/960710208.db2.gz BILLTUKZLCGGIW-AWEZNQCLSA-N -1 0 347.436 3.871 20 0 EHADRM CC(C)C[C@H](NC(=O)CSc1ccc2ccccc2c1)C(=O)[O-] ZINC000236594080 960713237 /nfs/dbraw/zinc/71/32/37/960713237.db2.gz LPYWICXSAZRNEG-INIZCTEOSA-N -1 0 331.437 3.547 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)CCc1ccsc1 ZINC000236623674 960718008 /nfs/dbraw/zinc/71/80/08/960718008.db2.gz ZGEVOYUQULGPKF-UHFFFAOYSA-N -1 0 333.409 3.805 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1cc2c(s1)CCC2 ZINC000236640915 960721260 /nfs/dbraw/zinc/72/12/60/960721260.db2.gz ZVVZOHMHUSYJJP-UHFFFAOYSA-N -1 0 345.420 3.975 20 0 EHADRM CCC(CC)(CNC(=O)N[C@](C)(CC)c1ccc(F)cc1)C(=O)[O-] ZINC001573783769 960721274 /nfs/dbraw/zinc/72/12/74/960721274.db2.gz AAQOSGWHGYCYJN-QGZVFWFLSA-N -1 0 338.423 3.641 20 0 EHADRM Cc1cc(C(=O)N2CCCC[C@H]2CC(C)C)cc(C)c1OCC(=O)[O-] ZINC000236641702 960722044 /nfs/dbraw/zinc/72/20/44/960722044.db2.gz NQLZUVUTXGPGBQ-KRWDZBQOSA-N -1 0 347.455 3.808 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Oc1cc(F)c(Br)cc1C ZINC001573784916 960732020 /nfs/dbraw/zinc/73/20/20/960732020.db2.gz NNJUVTNQRXUQRE-UHFFFAOYSA-N -1 0 347.180 3.693 20 0 EHADRM CC[C@@H](CCc1ccccc1)NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001573791307 960755523 /nfs/dbraw/zinc/75/55/23/960755523.db2.gz NUAHAEZTFVVVLN-HVCHUGMYSA-N -1 0 327.380 3.519 20 0 EHADRM CC(C)c1ccsc1C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC000236816273 960762540 /nfs/dbraw/zinc/76/25/40/960762540.db2.gz BFWJRYAVPVYCIW-UHFFFAOYSA-N -1 0 329.381 3.698 20 0 EHADRM CCC(CC)(CNC(=O)CCOc1ccc(C(C)C)cc1)C(=O)[O-] ZINC000236834481 960769945 /nfs/dbraw/zinc/76/99/45/960769945.db2.gz HGXXVPZXPPIWBL-UHFFFAOYSA-N -1 0 335.444 3.586 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000236884221 960789197 /nfs/dbraw/zinc/78/91/97/960789197.db2.gz WJANUXWVFTUDIS-MRXNPFEDSA-N -1 0 327.380 3.798 20 0 EHADRM CCOc1ccc2cc(C(=O)Nc3cc(C(=O)[O-])ccc3F)[nH]c2c1 ZINC000236883802 960789471 /nfs/dbraw/zinc/78/94/71/960789471.db2.gz YNRFPCHXPOFVTH-UHFFFAOYSA-N -1 0 342.326 3.656 20 0 EHADRM Cc1cc(C(F)(F)F)ccc1CNC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001574319034 960812631 /nfs/dbraw/zinc/81/26/31/960812631.db2.gz GMJYHQMKODUKTN-AWEZNQCLSA-N -1 0 343.345 3.521 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000236971785 960819095 /nfs/dbraw/zinc/81/90/95/960819095.db2.gz BGYOWCRYLNZWEK-KHYOSLBOSA-N -1 0 339.435 3.931 20 0 EHADRM CCC[C@@](C)(NC(=O)c1ccc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC000236979099 960821385 /nfs/dbraw/zinc/82/13/85/960821385.db2.gz AUGPXBMDWDQAPB-QGZVFWFLSA-N -1 0 335.787 3.973 20 0 EHADRM CCC[C@H](C)C(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000236996712 960829786 /nfs/dbraw/zinc/82/97/86/960829786.db2.gz BXXSGFIAEFTYOH-NSHDSACASA-N -1 0 331.334 3.555 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C1 ZINC000263189545 1125474686 /nfs/dbraw/zinc/47/46/86/1125474686.db2.gz VKVPEMFMGRQCLT-SFYZADRCSA-N -1 0 349.189 3.707 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000237063654 960858745 /nfs/dbraw/zinc/85/87/45/960858745.db2.gz KYVSCWCGBOJHOA-GFCCVEGCSA-N -1 0 347.361 3.957 20 0 EHADRM CC[C@H]1CN(C(=O)c2ccc(C(=O)[O-])o2)CC[C@@H]1c1ccccc1 ZINC000237066339 960862073 /nfs/dbraw/zinc/86/20/73/960862073.db2.gz QGPVLLVIISDWHH-ZFWWWQNUSA-N -1 0 327.380 3.634 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H](C)Oc1cccc(C(C)(C)C)c1 ZINC000237109060 960872625 /nfs/dbraw/zinc/87/26/25/960872625.db2.gz IMGATYZOOOTJHG-BFUOFWGJSA-N -1 0 335.444 3.511 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC001573809962 960879700 /nfs/dbraw/zinc/87/97/00/960879700.db2.gz ZUOVPHGVJDRTIT-AWEZNQCLSA-N -1 0 327.380 3.606 20 0 EHADRM C[C@H](CC(F)(F)F)C(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1 ZINC001263631178 960884200 /nfs/dbraw/zinc/88/42/00/960884200.db2.gz JTXWQCUICKMPGV-DGCLKSJQSA-N -1 0 337.382 3.895 20 0 EHADRM CC[C@@H](NC(=O)Nc1cncc(C(=O)[O-])c1)C(C)(C)c1ccccc1 ZINC001573810499 960890379 /nfs/dbraw/zinc/89/03/79/960890379.db2.gz LJBYIJIPYRJTFK-MRXNPFEDSA-N -1 0 341.411 3.658 20 0 EHADRM COc1ccc(C[C@H](C)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000237230920 960892184 /nfs/dbraw/zinc/89/21/84/960892184.db2.gz ZFIZTIKESBIHCU-ZDUSSCGKSA-N -1 0 327.380 3.519 20 0 EHADRM COc1ccc2oc([C@H](C)NC(=O)c3ccc(C(=O)[O-])o3)c(C)c2c1 ZINC000237322245 960909402 /nfs/dbraw/zinc/90/94/02/960909402.db2.gz SZURJDLQRYPTAA-JTQLQIEISA-N -1 0 343.335 3.532 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001573812957 960911219 /nfs/dbraw/zinc/91/12/19/960911219.db2.gz IRNJWPXXLLGZFC-INIZCTEOSA-N -1 0 342.395 3.699 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NC[C@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000237351078 960915471 /nfs/dbraw/zinc/91/54/71/960915471.db2.gz ZDKARIPMKYFBDK-RDBSUJKOSA-N -1 0 335.469 3.808 20 0 EHADRM C[C@@H](CN(C)C(=O)[C@H](Sc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000237395755 960927393 /nfs/dbraw/zinc/92/73/93/960927393.db2.gz RKKRGTXIIPQXEA-WMLDXEAASA-N -1 0 343.448 3.699 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)c1ccc2cc[nH]c2c1)C(=O)[O-] ZINC000237410888 960929057 /nfs/dbraw/zinc/92/90/57/960929057.db2.gz RXLALPALUBEOPC-CQSZACIVSA-N -1 0 336.391 3.531 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2C)C1 ZINC001573820801 960951772 /nfs/dbraw/zinc/95/17/72/960951772.db2.gz UJAUBQQQEJBQOL-VHFSOBRXSA-N -1 0 344.455 3.596 20 0 EHADRM Cc1ccc(N(C)C(=O)c2ccccc2S[C@@H](C)C(=O)[O-])cc1 ZINC000237549908 960958178 /nfs/dbraw/zinc/95/81/78/960958178.db2.gz CAFBJRZTIXCPKC-ZDUSSCGKSA-N -1 0 329.421 3.837 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N(C)Cc1ccc(F)cc1)C(=O)[O-] ZINC000237549074 960958977 /nfs/dbraw/zinc/95/89/77/960958977.db2.gz VPKCSUZALQOQNH-LBPRGKRZSA-N -1 0 347.411 3.663 20 0 EHADRM Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1ccc(C(=O)[O-])o1 ZINC000237599070 960969786 /nfs/dbraw/zinc/96/97/86/960969786.db2.gz JGQXHNRBXHYLSW-UHFFFAOYSA-N -1 0 344.367 3.523 20 0 EHADRM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(C(=O)[O-])s1 ZINC000237604845 960972361 /nfs/dbraw/zinc/97/23/61/960972361.db2.gz AIUOEPGAOOUHHD-QMMMGPOBSA-N -1 0 325.336 3.558 20 0 EHADRM C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCCCCCC(=O)[O-] ZINC000237615973 960974062 /nfs/dbraw/zinc/97/40/62/960974062.db2.gz XDQOITCCRJEIHC-JTQLQIEISA-N -1 0 348.226 3.522 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001573829533 961001433 /nfs/dbraw/zinc/00/14/33/961001433.db2.gz ABIHVHKJNGLKIV-ARFHVFGLSA-N -1 0 326.481 3.639 20 0 EHADRM Cc1ccc(CCCCC(=O)Nc2cccc(OCC(=O)[O-])c2)cc1 ZINC000237704961 961002180 /nfs/dbraw/zinc/00/21/80/961002180.db2.gz WFOVQYZFJVSGER-UHFFFAOYSA-N -1 0 341.407 3.810 20 0 EHADRM Cc1[nH]c2ccc(C(=O)N[C@H](CC(=O)[O-])c3cccs3)cc2c1C ZINC000237727791 961008852 /nfs/dbraw/zinc/00/88/52/961008852.db2.gz GANMRLQIKHBOJZ-OAHLLOKOSA-N -1 0 342.420 3.792 20 0 EHADRM Cc1[nH]c2c(cccc2C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)c1C ZINC000237737882 961012146 /nfs/dbraw/zinc/01/21/46/961012146.db2.gz DTHPYFPGNSFWNG-UHFFFAOYSA-N -1 0 348.362 3.612 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)Cc1coc(-c2cccs2)n1 ZINC001322777833 961014669 /nfs/dbraw/zinc/01/46/69/961014669.db2.gz BWCYIRLMTUNOKV-UHFFFAOYSA-N -1 0 342.376 3.591 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cc2c(s1)CCCC2)c1ccccc1 ZINC000237758631 961018224 /nfs/dbraw/zinc/01/82/24/961018224.db2.gz MRQBUTPDCYIZQN-PXAZEXFGSA-N -1 0 343.448 3.819 20 0 EHADRM Cc1ccc(SCCC(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000237770851 961019787 /nfs/dbraw/zinc/01/97/87/961019787.db2.gz PRXIZUWOHRXBAR-UHFFFAOYSA-N -1 0 333.384 3.953 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)c(C)n1C1CC1 ZINC000237787614 961024535 /nfs/dbraw/zinc/02/45/35/961024535.db2.gz VBFPRBBTMPHAGU-UHFFFAOYSA-N -1 0 326.396 3.709 20 0 EHADRM CCc1oc2ccccc2c1C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC001324610936 961038110 /nfs/dbraw/zinc/03/81/10/961038110.db2.gz MMQDPBFOXQOWBY-FQEVSTJZSA-N -1 0 337.375 3.725 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2cccs2)Cc2cccs2)o1 ZINC000237974556 961060174 /nfs/dbraw/zinc/06/01/74/961060174.db2.gz MMPRLXZPLIHFSR-UHFFFAOYSA-N -1 0 347.417 3.943 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2Cc2ccccc2Cl)cc1 ZINC000237979903 961064071 /nfs/dbraw/zinc/06/40/71/961064071.db2.gz FQLAUZKJONSLDF-INIZCTEOSA-N -1 0 343.810 3.886 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCC2(c3ccccc3)CCCC2)s1 ZINC000238011469 961075251 /nfs/dbraw/zinc/07/52/51/961075251.db2.gz GCKPSKHWGMVRHH-UHFFFAOYSA-N -1 0 329.421 3.688 20 0 EHADRM Cc1cccc([C@@H](C)C(=O)Nc2sc3c(c2C(=O)[O-])COCC3)c1 ZINC001574388774 961150590 /nfs/dbraw/zinc/15/05/90/961150590.db2.gz LFHFDNXUXBOCRS-LLVKDONJSA-N -1 0 345.420 3.570 20 0 EHADRM CC(C)(C)c1ccc(CC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC001588739844 961162688 /nfs/dbraw/zinc/16/26/88/961162688.db2.gz XXOLPNOMSLCTND-OAQYLSRUSA-N -1 0 339.435 3.643 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)C(C)(C)Oc2ccccc2)cc1)C(=O)[O-] ZINC001327495532 961165720 /nfs/dbraw/zinc/16/57/20/961165720.db2.gz HTLGEZJRWLAFDZ-CQSZACIVSA-N -1 0 341.407 3.746 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1cnn(C2CCCCC2)c1 ZINC001574390565 961172448 /nfs/dbraw/zinc/17/24/48/961172448.db2.gz YKFWATABARHRIW-UHFFFAOYSA-N -1 0 327.384 3.647 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC001327819986 961181921 /nfs/dbraw/zinc/18/19/21/961181921.db2.gz WHZALGGRPCEMFI-FOIQADDNSA-N -1 0 339.391 3.828 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2C[C@H]2c2ccccc2C)cc1 ZINC001328339542 961201661 /nfs/dbraw/zinc/20/16/61/961201661.db2.gz PTTVCBNUAPXLSL-IPMKNSEASA-N -1 0 337.419 3.739 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)c2ccccc21 ZINC000249591865 961204002 /nfs/dbraw/zinc/20/40/02/961204002.db2.gz PGAYWRPDCXXEFL-ARFHVFGLSA-N -1 0 341.794 3.659 20 0 EHADRM CCN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC001573873794 961224699 /nfs/dbraw/zinc/22/46/99/961224699.db2.gz CMVLIKDXHTWUHR-LZLYRXPVSA-N -1 0 349.446 3.742 20 0 EHADRM Cc1ccccc1-c1cnc(NC(=O)NC2(CC(=O)[O-])CCC2)s1 ZINC001574402063 961238070 /nfs/dbraw/zinc/23/80/70/961238070.db2.gz SQGUYZCPVJUEQL-UHFFFAOYSA-N -1 0 345.424 3.637 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc2c(c1)OC(C)(C)C2 ZINC001329288276 961260589 /nfs/dbraw/zinc/26/05/89/961260589.db2.gz OFXIRFYUMIHTKA-UHFFFAOYSA-N -1 0 325.364 3.659 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NCC(C)(C)c1ccc(F)cc1Cl ZINC001588779856 961302539 /nfs/dbraw/zinc/30/25/39/961302539.db2.gz NNIDFMUGPIDYQS-CYBMUJFWSA-N -1 0 343.826 3.620 20 0 EHADRM CC(C)(CNC(=O)C1(C(=O)[O-])CCC1)c1ccc(Cl)c(Cl)c1 ZINC001588780016 961307433 /nfs/dbraw/zinc/30/74/33/961307433.db2.gz RZPUKTCAANUMHD-UHFFFAOYSA-N -1 0 344.238 3.642 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001331398759 961374660 /nfs/dbraw/zinc/37/46/60/961374660.db2.gz LHRYHVDDZZGMAT-MSOLQXFVSA-N -1 0 347.455 3.755 20 0 EHADRM CC(C)[C@H](C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000262084609 961443569 /nfs/dbraw/zinc/44/35/69/961443569.db2.gz BVIJHAZVORLACL-MOPGFXCFSA-N -1 0 337.419 3.637 20 0 EHADRM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Cc2ccccc2C(=O)[O-])o1 ZINC000262099127 961456126 /nfs/dbraw/zinc/45/61/26/961456126.db2.gz DHSILSXCGDCTPS-SUMWQHHRSA-N -1 0 341.407 3.829 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@H]2CCC[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC001332134095 961472284 /nfs/dbraw/zinc/47/22/84/961472284.db2.gz ZZBZYWSPRXRVOS-SJORKVTESA-N -1 0 341.407 3.829 20 0 EHADRM CC[C@@H](C)[C@H](C(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000262139946 961493101 /nfs/dbraw/zinc/49/31/01/961493101.db2.gz DTWYROSLXQHDMK-KUHUBIRLSA-N -1 0 341.407 3.918 20 0 EHADRM CCOc1c(F)cccc1C(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC001573918724 961507763 /nfs/dbraw/zinc/50/77/63/961507763.db2.gz FUJMGXGUKCJRDG-UHFFFAOYSA-N -1 0 343.354 3.516 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)Nc1ccccc1OCC1CC1 ZINC000262190676 961537477 /nfs/dbraw/zinc/53/74/77/961537477.db2.gz RBYIJWWFBRPJLM-UHFFFAOYSA-N -1 0 339.391 3.745 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)Cc1ccccc1C(=O)[O-] ZINC000262217888 961563580 /nfs/dbraw/zinc/56/35/80/961563580.db2.gz UXNFYFAVYWCWNY-HNNXBMFYSA-N -1 0 339.435 3.800 20 0 EHADRM CCCC(O)(CCC)CC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000262222491 961567203 /nfs/dbraw/zinc/56/72/03/961567203.db2.gz UCIFQYLYOLSHCE-UHFFFAOYSA-N -1 0 335.444 3.709 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000262233190 961576904 /nfs/dbraw/zinc/57/69/04/961576904.db2.gz YUGVQWMHZZNDQS-RBSFLKMASA-N -1 0 347.411 3.631 20 0 EHADRM Cc1c2ccccc2oc1[C@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])C(C)C ZINC000262238088 961582309 /nfs/dbraw/zinc/58/23/09/961582309.db2.gz VYTULPVDNHIYJA-SQWLQELKSA-N -1 0 329.396 3.665 20 0 EHADRM CCSCc1ccc(C(=O)NCc2ccccc2C(=O)[O-])cc1 ZINC001573932141 961585782 /nfs/dbraw/zinc/58/57/82/961585782.db2.gz OHZIHERHJBZLGR-UHFFFAOYSA-N -1 0 329.421 3.568 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2CCC[C@@H](F)C2)ccc1Br ZINC001332638355 961617165 /nfs/dbraw/zinc/61/71/65/961617165.db2.gz VYLQTEFMHMSINO-DTWKUNHWSA-N -1 0 344.180 3.614 20 0 EHADRM O=C([O-])CC1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000262291110 961622147 /nfs/dbraw/zinc/62/21/47/961622147.db2.gz WBRMTDJECZAUIQ-UHFFFAOYSA-N -1 0 339.391 3.806 20 0 EHADRM CC[C@@](C)(NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000262372717 961677987 /nfs/dbraw/zinc/67/79/87/961677987.db2.gz BCGSCPCMEUNKLX-MEBBXXQBSA-N -1 0 331.334 3.569 20 0 EHADRM CC[C@](C)(NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000262372714 961678937 /nfs/dbraw/zinc/67/89/37/961678937.db2.gz BCGSCPCMEUNKLX-BONVTDFDSA-N -1 0 331.334 3.569 20 0 EHADRM CCn1c2ccc(C)cc2nc1NC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001573970348 961719386 /nfs/dbraw/zinc/71/93/86/961719386.db2.gz KLJODARBUVVKQQ-UHFFFAOYSA-N -1 0 337.379 3.624 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000262435465 961720026 /nfs/dbraw/zinc/72/00/26/961720026.db2.gz TVGZBSLHJBOXST-HUUCEWRRSA-N -1 0 329.421 3.816 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)NC(=O)Nc1ccccc1CC(=O)[O-] ZINC001588834271 961747225 /nfs/dbraw/zinc/74/72/25/961747225.db2.gz VLCUCWUFIZJVGP-GOSISDBHSA-N -1 0 340.423 3.703 20 0 EHADRM CCO[C@H](C)c1ncc(C(=O)Nc2cccc(CCC(=O)[O-])c2)s1 ZINC000262511443 961757464 /nfs/dbraw/zinc/75/74/64/961757464.db2.gz MFGMWSGWOCWXMO-LLVKDONJSA-N -1 0 348.424 3.510 20 0 EHADRM CC(C)C1CCC(CNC(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC001588841854 961810131 /nfs/dbraw/zinc/81/01/31/961810131.db2.gz ROJZHWDGXFAJEG-UHFFFAOYSA-N -1 0 332.444 3.646 20 0 EHADRM CCn1c(C)cc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1C ZINC000262716302 961823297 /nfs/dbraw/zinc/82/32/97/961823297.db2.gz CUWXAHYYOMIXNZ-GFCCVEGCSA-N -1 0 328.412 3.640 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000262717349 961823779 /nfs/dbraw/zinc/82/37/79/961823779.db2.gz DAJDTHUCKLHOHY-ACWOFJMJSA-N -1 0 335.419 3.544 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N(Cc2ccco2)Cc2ccccc2)CC1 ZINC000262732902 961836317 /nfs/dbraw/zinc/83/63/17/961836317.db2.gz UXLIFKNASOHNSJ-QAQDUYKDSA-N -1 0 341.407 3.699 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CC1(C(F)(F)F)CC1)c1cccc(Cl)c1 ZINC001334848822 961844526 /nfs/dbraw/zinc/84/45/26/961844526.db2.gz HNXINPVOQDJALT-NSHDSACASA-N -1 0 349.736 3.705 20 0 EHADRM CC(C)CC(C)(C)CNC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001588845738 961858712 /nfs/dbraw/zinc/85/87/12/961858712.db2.gz HPBXCTRXCMABNT-DLBZAZTESA-N -1 0 346.471 3.569 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCc2c(Cl)cccc2Cl)nc1 ZINC001574522304 961861731 /nfs/dbraw/zinc/86/17/31/961861731.db2.gz WDXFZDINWNHCPC-UHFFFAOYSA-N -1 0 339.178 3.658 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000262829194 961894780 /nfs/dbraw/zinc/89/47/80/961894780.db2.gz BMAQTIQFQQDFJC-CYBMUJFWSA-N -1 0 341.407 3.800 20 0 EHADRM COc1cccc([C@@H](C)C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c1 ZINC000262835584 961901220 /nfs/dbraw/zinc/90/12/20/961901220.db2.gz BZOSVYRCINAIPT-CHWSQXEVSA-N -1 0 327.380 3.626 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CCCC2(CCCCC2)CC1 ZINC000262842228 961907318 /nfs/dbraw/zinc/90/73/18/961907318.db2.gz CIUFJGTVULHJEI-UHFFFAOYSA-N -1 0 333.428 3.792 20 0 EHADRM Cc1cc(C(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)oc1C(=O)[O-] ZINC001335431217 961926625 /nfs/dbraw/zinc/92/66/25/961926625.db2.gz HSAGZFIOTJNZBZ-SECBINFHSA-N -1 0 336.413 3.531 20 0 EHADRM C[C@H](CC(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000262871352 961940568 /nfs/dbraw/zinc/94/05/68/961940568.db2.gz BAAQWJYZKRQVOA-JTNHKYCSSA-N -1 0 343.345 3.521 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)Cn1ccc2ccc(Cl)cc21 ZINC001574539783 961948384 /nfs/dbraw/zinc/94/83/84/961948384.db2.gz XQJJAZCFXHOKQI-UHFFFAOYSA-N -1 0 328.755 3.632 20 0 EHADRM CC(C)[C@H](C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1cccc(Cl)c1 ZINC000262894415 961967469 /nfs/dbraw/zinc/96/74/69/961967469.db2.gz HRMCUNLLAZOVDE-MAZHCROVSA-N -1 0 337.847 3.649 20 0 EHADRM O=C([O-])C1(NC(=O)[C@@H]2CCC[C@@H]2Cc2ccccc2)CCCCC1 ZINC001574549692 961970277 /nfs/dbraw/zinc/97/02/77/961970277.db2.gz NMVRGZPAHCFECB-IAGOWNOFSA-N -1 0 329.440 3.549 20 0 EHADRM COc1ccc2c(c1)CCCCN2C(=O)c1ccc(C(=O)[O-])cc1F ZINC000262898516 961974224 /nfs/dbraw/zinc/97/42/24/961974224.db2.gz ZSOQGYUXOCOMFX-UHFFFAOYSA-N -1 0 343.354 3.516 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)N[C@@H](CC(F)F)C(=O)[O-])cc1 ZINC000262907986 961986314 /nfs/dbraw/zinc/98/63/14/961986314.db2.gz FEXAWFNOVRLQFM-FZMZJTMJSA-N -1 0 327.371 3.528 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)N[C@@H](CC(F)F)C(=O)[O-])cc1 ZINC000262910828 961990602 /nfs/dbraw/zinc/99/06/02/961990602.db2.gz FLBNMDJZKXNHBG-LBPRGKRZSA-N -1 0 339.363 3.562 20 0 EHADRM CCc1occc1C(=O)N[C@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC000262915597 961996433 /nfs/dbraw/zinc/99/64/33/961996433.db2.gz DWLPKUCPNCNQBK-RHSMWYFYSA-N -1 0 341.407 3.535 20 0 EHADRM CC(C)CC1(CNC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)CCC1 ZINC001588861429 961999183 /nfs/dbraw/zinc/99/91/83/961999183.db2.gz VGYMHEWEVDGNKD-IBGZPJMESA-N -1 0 346.471 3.545 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)c2cccc(-n3cccc3)c2)c2ccccc21 ZINC001574558162 962001583 /nfs/dbraw/zinc/00/15/83/962001583.db2.gz OOUZNGNEAXPVNC-MOPGFXCFSA-N -1 0 346.386 3.520 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)C1CCC(c2ccccc2)CC1 ZINC000262947891 962032950 /nfs/dbraw/zinc/03/29/50/962032950.db2.gz LCGJDDQDFCAEHI-DUBPFDJUSA-N -1 0 341.451 3.672 20 0 EHADRM CC(C)CN(Cc1ccc(F)c(Cl)c1)C(=O)NCCCC(=O)[O-] ZINC001588870300 962052324 /nfs/dbraw/zinc/05/23/24/962052324.db2.gz GFYHVQWHEVPUPH-UHFFFAOYSA-N -1 0 344.814 3.512 20 0 EHADRM Cc1oc(CN(C)C(=O)C[C@@H]2C[C@H]2Cc2ccccc2)cc1C(=O)[O-] ZINC001339912037 962084433 /nfs/dbraw/zinc/08/44/33/962084433.db2.gz CFMKYYNXIKRULD-CVEARBPZSA-N -1 0 341.407 3.514 20 0 EHADRM CC(C)CN(C(=O)c1cc(C(=O)[O-])n[nH]1)[C@H](C)c1ccccc1Cl ZINC001588871194 962085284 /nfs/dbraw/zinc/08/52/84/962085284.db2.gz NZHFJTJBVHNOBG-LLVKDONJSA-N -1 0 349.818 3.621 20 0 EHADRM C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCCCCC(=O)[O-] ZINC001340495415 962099625 /nfs/dbraw/zinc/09/96/25/962099625.db2.gz ZOVJTCZSQLXLBN-NVXWUHKLSA-N -1 0 332.444 3.609 20 0 EHADRM CC(C)CO[C@@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001588875808 962122031 /nfs/dbraw/zinc/12/20/31/962122031.db2.gz YBAMUIKAILRKGC-MNOVXSKESA-N -1 0 339.457 3.571 20 0 EHADRM CN(C(=O)NCCCCC(=O)[O-])[C@H]1CCCC[C@H]1c1ccccc1 ZINC001341434652 962138456 /nfs/dbraw/zinc/13/84/56/962138456.db2.gz WERRRRGPHGDHFO-IRXDYDNUSA-N -1 0 332.444 3.609 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)c1ccc(Cl)cc1C(F)(F)F ZINC001574607395 962174855 /nfs/dbraw/zinc/17/48/55/962174855.db2.gz FUZSAFYSBYXQLB-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC001574607616 962176371 /nfs/dbraw/zinc/17/63/71/962176371.db2.gz IRHYHRKSHMZZFV-DTWKUNHWSA-N -1 0 336.800 3.513 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)cc1 ZINC000263051857 962184578 /nfs/dbraw/zinc/18/45/78/962184578.db2.gz DZYTWUAAVJZRKV-JJMVLAAESA-N -1 0 345.345 3.895 20 0 EHADRM Cc1cccc(C2(C(=O)N3CC[C@@H](C(=O)[O-])[C@@H](C)C3)CCCCC2)c1 ZINC000263063844 962202840 /nfs/dbraw/zinc/20/28/40/962202840.db2.gz SVGJDGZHYQJJES-FUHWJXTLSA-N -1 0 343.467 3.766 20 0 EHADRM CC(C)C[C@H](CNC(=O)NCC[C@@H]1CCc2ccccc21)CC(=O)[O-] ZINC001588892479 962207862 /nfs/dbraw/zinc/20/78/62/962207862.db2.gz ONNAAOIZNRLUCD-RDJZCZTQSA-N -1 0 346.471 3.543 20 0 EHADRM O=C([O-])[C@H](C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1)C1CCCC1 ZINC001574615500 962213767 /nfs/dbraw/zinc/21/37/67/962213767.db2.gz BLBNHOLPPQJECI-ZBFHGGJFSA-N -1 0 335.831 3.547 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1csc2c1CC[C@@H](C)C2 ZINC000263074292 962215942 /nfs/dbraw/zinc/21/59/42/962215942.db2.gz YNPDDIQEJXVPEN-SNVBAGLBSA-N -1 0 345.420 3.832 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1cccc(-c2ccc(F)c(F)c2)c1)C1CC1 ZINC001574616799 962227454 /nfs/dbraw/zinc/22/74/54/962227454.db2.gz JSURBQNOMNAHBR-INIZCTEOSA-N -1 0 331.318 3.681 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CC23CCCC3)C[C@H]1c1ccc(Cl)cc1 ZINC000263089288 962237342 /nfs/dbraw/zinc/23/73/42/962237342.db2.gz MRLHTSNJAQEJRY-XHSDSOJGSA-N -1 0 347.842 3.547 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@H]1CC[C@@H]1c1ccc(Cl)cc1F)C(=O)[O-] ZINC001588899321 962245511 /nfs/dbraw/zinc/24/55/11/962245511.db2.gz KXEWNBAOUAAXDZ-ZLDLUXBVSA-N -1 0 341.810 3.588 20 0 EHADRM COc1c(NC(=O)Cc2ccc(C3CCC3)cc2)cccc1C(=O)[O-] ZINC001345145118 962245593 /nfs/dbraw/zinc/24/55/93/962245593.db2.gz MTBQQKFVLMPFLB-UHFFFAOYSA-N -1 0 339.391 3.842 20 0 EHADRM CC(C)(CCNC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000263099888 962249508 /nfs/dbraw/zinc/24/95/08/962249508.db2.gz UATPMXALHCGWCM-IRXDYDNUSA-N -1 0 325.408 3.560 20 0 EHADRM CC(C)(COCc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000263113298 962264983 /nfs/dbraw/zinc/26/49/83/962264983.db2.gz JUKTZQGFWGRHQV-UHFFFAOYSA-N -1 0 327.380 3.566 20 0 EHADRM O=C([O-])C1(C(=O)N[C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CCC1 ZINC001574626007 962277604 /nfs/dbraw/zinc/27/76/04/962277604.db2.gz FFSRDCQGMVJMTF-HIFRSBDPSA-N -1 0 335.831 3.737 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)Nc2ccc(C(=O)[O-])cn2)c1 ZINC001588906297 962281182 /nfs/dbraw/zinc/28/11/82/962281182.db2.gz XELBTCXIHWIHRR-ZDUSSCGKSA-N -1 0 326.396 3.721 20 0 EHADRM Cc1cccc(C)c1OCC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000263172624 962325824 /nfs/dbraw/zinc/32/58/24/962325824.db2.gz GEXAUFALVPNMCY-CQSZACIVSA-N -1 0 327.380 3.509 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)CSCc1ccc(C(C)(C)C)cc1 ZINC001588916206 962347218 /nfs/dbraw/zinc/34/72/18/962347218.db2.gz XWGOFLXQZHFKTL-UHFFFAOYSA-N -1 0 337.485 3.539 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000263195638 962349151 /nfs/dbraw/zinc/34/91/51/962349151.db2.gz JCZAPTVPSSYYRG-OLZOCXBDSA-N -1 0 329.371 3.831 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cccc([C@@H]3CCOC3)c2)cc1 ZINC000263197305 962350938 /nfs/dbraw/zinc/35/09/38/962350938.db2.gz JIXOGILWNWLBHO-SUMWQHHRSA-N -1 0 339.391 3.631 20 0 EHADRM Cc1cc(C)c2cc(C(=O)Nc3cccc(C(=O)[O-])c3)sc2n1 ZINC001347474788 962387967 /nfs/dbraw/zinc/38/79/67/962387967.db2.gz RUMYNXPWEPINIQ-UHFFFAOYSA-N -1 0 326.377 3.864 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3CCC4(C[C@@H]4C(=O)[O-])CC3)s2)o1 ZINC000263250084 962393183 /nfs/dbraw/zinc/39/31/83/962393183.db2.gz JHNUBZHGXBSBAV-GFCCVEGCSA-N -1 0 345.420 3.643 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)C(=O)NCc2ccc(C(=O)[O-])s2)c1 ZINC000263272336 962409224 /nfs/dbraw/zinc/40/92/24/962409224.db2.gz WDFZGASZPNUZPQ-LBPRGKRZSA-N -1 0 347.436 3.653 20 0 EHADRM CCCC[C@H](CC)C(=O)N[C@](C)(CC(=O)[O-])c1cccc(OC)c1 ZINC000263274642 962412928 /nfs/dbraw/zinc/41/29/28/962412928.db2.gz XWOXNKFNSUWFCP-IFXJQAMLSA-N -1 0 335.444 3.718 20 0 EHADRM O=C([O-])CCCCC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000263306055 962447508 /nfs/dbraw/zinc/44/75/08/962447508.db2.gz OLVMPCPAOZNUAR-SFHVURJKSA-N -1 0 325.408 3.732 20 0 EHADRM CC(C)c1cccc(-c2ccc(C(=O)N3CCC[C@@H]3C(=O)[O-])o2)c1 ZINC000263317601 962459133 /nfs/dbraw/zinc/45/91/33/962459133.db2.gz QQQCROLNTASDJY-OAHLLOKOSA-N -1 0 327.380 3.759 20 0 EHADRM COc1ccc(CCC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)cc1F ZINC000263320130 962461334 /nfs/dbraw/zinc/46/13/34/962461334.db2.gz NGQSUSSQMKHFSM-LBPRGKRZSA-N -1 0 345.370 3.594 20 0 EHADRM CC(C)(NC(=O)CCCCC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000263324764 962467846 /nfs/dbraw/zinc/46/78/46/962467846.db2.gz SJASDAOEHUWPHW-UHFFFAOYSA-N -1 0 332.227 3.990 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000263346071 962499643 /nfs/dbraw/zinc/49/96/43/962499643.db2.gz UAKILOKQZOUVCS-DFBGVHRSSA-N -1 0 329.421 3.987 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)co1 ZINC001574666513 962517982 /nfs/dbraw/zinc/51/79/82/962517982.db2.gz BUHICPFQIGPRAL-WAYWQWQTSA-N -1 0 325.242 3.649 20 0 EHADRM CC(C)Oc1ccc(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)c(F)c1 ZINC001588940495 962523782 /nfs/dbraw/zinc/52/37/82/962523782.db2.gz MKXHBLJPTWHRFE-YVMONPNESA-N -1 0 333.315 3.556 20 0 EHADRM COc1cccc(CC(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)c1 ZINC000263414277 962582839 /nfs/dbraw/zinc/58/28/39/962582839.db2.gz NLCNTUMNSSCNPL-KRWDZBQOSA-N -1 0 347.455 3.558 20 0 EHADRM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2cc(C(=O)[O-])ccn2)o1 ZINC000263426464 962601188 /nfs/dbraw/zinc/60/11/88/962601188.db2.gz RJYGMDSITDVRQB-LRDDRELGSA-N -1 0 342.395 3.549 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])o1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC001351728694 962621779 /nfs/dbraw/zinc/62/17/79/962621779.db2.gz IRLMGUIETIZOKO-LSDHHAIUSA-N -1 0 327.380 3.776 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])o1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001351728687 962622526 /nfs/dbraw/zinc/62/25/26/962622526.db2.gz IRLMGUIETIZOKO-CABCVRRESA-N -1 0 327.380 3.776 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c(O)c1 ZINC001588962690 962628068 /nfs/dbraw/zinc/62/80/68/962628068.db2.gz JTVPTSFEVISMIZ-IAGOWNOFSA-N -1 0 339.391 3.559 20 0 EHADRM CC(C)c1ccc(OCCNC(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC001588968106 962655270 /nfs/dbraw/zinc/65/52/70/962655270.db2.gz BSILUADALWCIJH-UHFFFAOYSA-N -1 0 342.395 3.709 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1Br ZINC000263480203 962667247 /nfs/dbraw/zinc/66/72/47/962667247.db2.gz ALOMMLXALHVGHF-XYPYZODXSA-N -1 0 340.217 3.587 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)NC2CCC(C(=O)[O-])CC2)c2ccccc21 ZINC000263480013 962667352 /nfs/dbraw/zinc/66/73/52/962667352.db2.gz NTDUCXWSFXNWHI-XUJLQICISA-N -1 0 330.428 3.599 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000263518366 962701115 /nfs/dbraw/zinc/70/11/15/962701115.db2.gz FVUNUWFZUFAUOD-YJBOKZPZSA-N -1 0 341.382 3.519 20 0 EHADRM C[C@H](CCC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000263520671 962701159 /nfs/dbraw/zinc/70/11/59/962701159.db2.gz HCMJSXDZSCEFJQ-IERDGZPVSA-N -1 0 339.435 3.729 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)s1 ZINC000263532840 962714128 /nfs/dbraw/zinc/71/41/28/962714128.db2.gz NFRQKLLTCIBUCZ-DGCLKSJQSA-N -1 0 333.384 3.652 20 0 EHADRM CCCOc1cccc(CC(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC000263533521 962714866 /nfs/dbraw/zinc/71/48/66/962714866.db2.gz NNVQFGBYVGLQSD-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM CC(C)n1c(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)nc2ccccc21 ZINC001588980968 962722976 /nfs/dbraw/zinc/72/29/76/962722976.db2.gz QFQVPEWQHIIVJS-NTMALXAHSA-N -1 0 339.351 3.560 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccsc2C(F)F)cc1 ZINC001354182826 962729088 /nfs/dbraw/zinc/72/90/88/962729088.db2.gz ULYPJMBNLLVDHV-GFCCVEGCSA-N -1 0 339.363 3.940 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2CCCc2ccccc2)o1 ZINC000263573091 962739838 /nfs/dbraw/zinc/73/98/38/962739838.db2.gz LWUXMVQIQAKOJV-HNNXBMFYSA-N -1 0 327.380 3.605 20 0 EHADRM CC/C=C(\C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000299385411 962937588 /nfs/dbraw/zinc/93/75/88/962937588.db2.gz YGTICYPCCUTCPX-CFDVYZKQSA-N -1 0 345.317 3.574 20 0 EHADRM O=C([O-])c1cnc(Oc2cc(F)c(Br)cc2Cl)nc1 ZINC000302352522 963076831 /nfs/dbraw/zinc/07/68/31/963076831.db2.gz AMJJIBFNWUVNFB-UHFFFAOYSA-N -1 0 347.527 3.522 20 0 EHADRM O=C([O-])c1cnc(CNc2cc(Cl)cc(Br)c2)s1 ZINC000308315798 963267712 /nfs/dbraw/zinc/26/77/12/963267712.db2.gz AOHQNJLTPSIICP-UHFFFAOYSA-N -1 0 347.621 3.869 20 0 EHADRM O=C([O-])CCCOc1cc(Br)cc(C(F)(F)F)c1 ZINC000310904696 963443721 /nfs/dbraw/zinc/44/37/21/963443721.db2.gz CXZYIIJOHOYXRO-UHFFFAOYSA-N -1 0 327.096 3.712 20 0 EHADRM Cc1cc(Cl)c(NC(=O)NCCC(C)(C)C(=O)[O-])cc1Cl ZINC000313995920 963698552 /nfs/dbraw/zinc/69/85/52/963698552.db2.gz SFQRAAQCKHVNJZ-UHFFFAOYSA-N -1 0 333.215 3.924 20 0 EHADRM O=C([O-])c1cccc(NC(=O)CCc2ccc(Cl)cc2Cl)n1 ZINC000316332282 964003963 /nfs/dbraw/zinc/00/39/63/964003963.db2.gz OYXNFNOHAMVZNU-UHFFFAOYSA-N -1 0 339.178 3.658 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1ccccc1SC(F)F ZINC000316677725 964040697 /nfs/dbraw/zinc/04/06/97/964040697.db2.gz UZCQBRDCMPXMEB-UHFFFAOYSA-N -1 0 332.372 3.768 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2c(cccc2F)s1)c1cccs1 ZINC000316680285 964040712 /nfs/dbraw/zinc/04/07/12/964040712.db2.gz WWTLKYDGUCMOLQ-CYBMUJFWSA-N -1 0 335.381 3.658 20 0 EHADRM CC(C)C[C@@H](NC(=O)CCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000036971199 967509693 /nfs/dbraw/zinc/50/96/93/967509693.db2.gz LLPJTKPWOMTNDU-CYBMUJFWSA-N -1 0 332.227 3.542 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000062842736 967543595 /nfs/dbraw/zinc/54/35/95/967543595.db2.gz NCYXLRYBSSBQHO-UHFFFAOYSA-N -1 0 331.199 3.712 20 0 EHADRM Cc1cc(Cl)c(NC(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1Cl ZINC000128370760 967623463 /nfs/dbraw/zinc/62/34/63/967623463.db2.gz SXYOYJDEUMHFBO-AWEZNQCLSA-N -1 0 331.199 3.630 20 0 EHADRM Cc1ccccc1CC(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC000235802367 967768721 /nfs/dbraw/zinc/76/87/21/967768721.db2.gz UTAGUIZDVJGXIA-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM O=C([O-])c1ccc(Br)c(NC(=O)N2CCCCCC2)c1 ZINC000236477588 967777202 /nfs/dbraw/zinc/77/72/02/967777202.db2.gz MBIKBNOHQNDWPV-UHFFFAOYSA-N -1 0 341.205 3.555 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Cc1cccc2ccccc21 ZINC000237928973 967784043 /nfs/dbraw/zinc/78/40/43/967784043.db2.gz UUYRYWKBNDOLBW-KRWDZBQOSA-N -1 0 325.408 3.628 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000237992443 967785582 /nfs/dbraw/zinc/78/55/82/967785582.db2.gz JVASDGBXKRTTIC-CYBMUJFWSA-N -1 0 329.318 3.565 20 0 EHADRM O=C([O-])[C@@H]1CCCN1C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 ZINC000238077754 967786346 /nfs/dbraw/zinc/78/63/46/967786346.db2.gz QUBLYIGQWXJCDS-HQPKTYMTSA-N -1 0 345.395 3.643 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)Nc2cc(F)ccc2Cl)C1 ZINC000318087877 967989914 /nfs/dbraw/zinc/98/99/14/967989914.db2.gz KGVHDERBHADXQM-JTQLQIEISA-N -1 0 328.771 3.588 20 0 EHADRM Cc1c(C(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])sc2cccc(F)c12 ZINC000324434591 968032544 /nfs/dbraw/zinc/03/25/44/968032544.db2.gz VPVISZOBXDJPLV-LKFCYVNXSA-N -1 0 335.400 3.674 20 0 EHADRM C[C@@H]1CCCN(C(=O)c2ccc(CCC(F)(F)F)cc2)[C@H]1C(=O)[O-] ZINC000424256261 968352760 /nfs/dbraw/zinc/35/27/60/968352760.db2.gz MKQDJNGSERRUSM-BXUZGUMPSA-N -1 0 343.345 3.507 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1)C1CC1 ZINC000584270020 968483406 /nfs/dbraw/zinc/48/34/06/968483406.db2.gz GEFFOAGVSPGFFX-JTQLQIEISA-N -1 0 345.399 3.595 20 0 EHADRM C[C@@H]1CN(C(=O)N[C@@H]2CCC(C)(C)c3ccccc32)CC[C@@H]1C(=O)[O-] ZINC000626749304 968515910 /nfs/dbraw/zinc/51/59/10/968515910.db2.gz BHJCQPMHDJTDQB-JKIFEVAISA-N -1 0 344.455 3.551 20 0 EHADRM CCSc1cccc(F)c1NC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000630569209 968539183 /nfs/dbraw/zinc/53/91/83/968539183.db2.gz NEOGRBXUTVZJCS-GHMZBOCLSA-N -1 0 340.420 3.512 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)Nc2cccc(-c3nccs3)c2)CC1 ZINC000647693925 968577650 /nfs/dbraw/zinc/57/76/50/968577650.db2.gz VTEKRMIDQFFILW-UHFFFAOYSA-N -1 0 345.424 3.529 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2ccc3[nH]c(C4CCC4)nc3c2)CC=CCC1 ZINC000653281907 968637880 /nfs/dbraw/zinc/63/78/80/968637880.db2.gz FNUHGJDGOKTEMS-IBGZPJMESA-N -1 0 339.395 3.580 20 0 EHADRM Cc1cc(C(=O)N(CC(=O)[O-])CC2CC2)sc1-c1ccccc1 ZINC000655556055 968679875 /nfs/dbraw/zinc/67/98/75/968679875.db2.gz DXPBLAFDUDFZEA-UHFFFAOYSA-N -1 0 329.421 3.660 20 0 EHADRM Cc1ccc(/C=C\CC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655576081 968684889 /nfs/dbraw/zinc/68/48/89/968684889.db2.gz OXAQSUIJOKTLQR-VRIODXJISA-N -1 0 329.440 3.650 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655581455 968687882 /nfs/dbraw/zinc/68/78/82/968687882.db2.gz ZEQZPVIQWRXKAT-MGBSGCIJSA-N -1 0 347.455 3.729 20 0 EHADRM C[C@@H](NC(=O)N1CC=C(C(C)(C)C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655902164 968711488 /nfs/dbraw/zinc/71/14/88/968711488.db2.gz NWBVPQKGHMTUBO-VHDGCEQUSA-N -1 0 336.476 3.510 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1C[C@@H](C)[C@H]1c1ccccc1)CC(=O)[O-] ZINC000659418119 968738769 /nfs/dbraw/zinc/73/87/69/968738769.db2.gz YSOZGKGBZWJNKE-VKJFTORMSA-N -1 0 332.444 3.526 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)N2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000666566491 968846431 /nfs/dbraw/zinc/84/64/31/968846431.db2.gz PTLOTEVPQHFGJV-KRWDZBQOSA-N -1 0 342.370 3.571 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000817872658 969183759 /nfs/dbraw/zinc/18/37/59/969183759.db2.gz QPZDWTKXYFMGAJ-GKPYXUANSA-N -1 0 345.439 3.589 20 0 EHADRM CN(CCC(=O)[O-])Cc1c(Cl)n(-c2ccccc2)nc1C(C)(C)C ZINC000840997012 969222062 /nfs/dbraw/zinc/22/20/62/969222062.db2.gz HAPLBRRJIIUQNB-UHFFFAOYSA-N -1 0 349.862 3.730 20 0 EHADRM O=C([O-])CCCC(=O)N(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000843329919 969237532 /nfs/dbraw/zinc/23/75/32/969237532.db2.gz YAVXVPYYMZJSHJ-UHFFFAOYSA-N -1 0 329.371 3.609 20 0 EHADRM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC000901600015 969446560 /nfs/dbraw/zinc/44/65/60/969446560.db2.gz UHDFSLDKJLIYRS-XBWLEZLWSA-N -1 0 343.354 3.535 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2coc(/C=C\C(=O)[O-])c2)C1 ZINC000901600086 969446741 /nfs/dbraw/zinc/44/67/41/969446741.db2.gz VUAADGNJVHLHNN-AZJURWTESA-N -1 0 339.391 3.704 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cc(C(F)(F)F)ccc2Cl)C1 ZINC000901656178 969457383 /nfs/dbraw/zinc/45/73/83/969457383.db2.gz OKQJNOAEXNCHSD-DTWKUNHWSA-N -1 0 349.736 3.542 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@@H]1SCCc2sccc21 ZINC000905268258 969610568 /nfs/dbraw/zinc/61/05/68/969610568.db2.gz GROVMSDZOGRDIC-CQSZACIVSA-N -1 0 333.434 3.724 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)N[C@@H]1CCSc2ccccc21 ZINC001340464805 969743368 /nfs/dbraw/zinc/74/33/68/969743368.db2.gz VXSPBRJQWVVBPT-DZGCQCFKSA-N -1 0 348.468 3.652 20 0 EHADRM CCc1cc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc(Cl)n1 ZINC000318319164 970425143 /nfs/dbraw/zinc/42/51/43/970425143.db2.gz UTYAAIQAFKAHTR-UHFFFAOYSA-N -1 0 339.178 3.901 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)c1cc(Cl)ccc1F ZINC000318916732 970487899 /nfs/dbraw/zinc/48/78/99/970487899.db2.gz UFXWFMZMPAKXEL-CQSZACIVSA-N -1 0 327.783 3.633 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)c2ccc(F)c(Cl)c2)c1F ZINC000319451074 970536594 /nfs/dbraw/zinc/53/65/94/970536594.db2.gz ILOQDZXHYZXLDP-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM C[C@@H]1CCc2c(C(=O)Nc3ccc(F)c(C(=O)[O-])c3)csc2C1 ZINC000319682526 970561139 /nfs/dbraw/zinc/56/11/39/970561139.db2.gz JTPGZFRFKMUWEJ-SECBINFHSA-N -1 0 333.384 3.963 20 0 EHADRM C[C@H](Oc1ccccc1F)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000319905915 970588675 /nfs/dbraw/zinc/58/86/75/970588675.db2.gz CMDCPKIRJFNAOE-VIFPVBQESA-N -1 0 337.734 3.583 20 0 EHADRM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000320284378 970643063 /nfs/dbraw/zinc/64/30/63/970643063.db2.gz XECMPEFORDGXKC-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2cc(F)c(F)cc2Cl)CCCCC1 ZINC000320386835 970656687 /nfs/dbraw/zinc/65/66/87/970656687.db2.gz LWAFWROCGVXINI-UHFFFAOYSA-N -1 0 345.773 3.773 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2csc3ccccc23)cc1 ZINC000320739863 970709527 /nfs/dbraw/zinc/70/95/27/970709527.db2.gz VXEANRJTAJUZBC-UHFFFAOYSA-N -1 0 327.361 3.617 20 0 EHADRM CCCc1nc(C)c(NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)s1 ZINC001610262023 970710497 /nfs/dbraw/zinc/71/04/97/970710497.db2.gz VQRTYQPRPVJGKY-LBPRGKRZSA-N -1 0 339.461 3.513 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2F)c(C(F)(F)F)o1 ZINC001610437305 970742594 /nfs/dbraw/zinc/74/25/94/970742594.db2.gz VUKYEGYFOMIOBN-UHFFFAOYSA-N -1 0 331.221 3.696 20 0 EHADRM CC(C)c1ccccc1OCC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC000393010175 972555056 /nfs/dbraw/zinc/55/50/56/972555056.db2.gz UMVHUUOYURPHSM-KRWDZBQOSA-N -1 0 347.455 3.729 20 0 EHADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CC[C@H](c2ccccc2)c2ccccc21 ZINC001605018488 972618887 /nfs/dbraw/zinc/61/88/87/972618887.db2.gz JIALRBSNFVEAEQ-NVAPDCRFSA-N -1 0 335.403 3.666 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NCC1CCC(c2ccccc2)CC1 ZINC001603320441 972635059 /nfs/dbraw/zinc/63/50/59/972635059.db2.gz GVNYRVTVKYOGGS-QJXPYNDKSA-N -1 0 329.440 3.578 20 0 EHADRM C[C@H](OC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1cccc(Br)c1 ZINC001605053929 972671807 /nfs/dbraw/zinc/67/18/07/972671807.db2.gz NEWUPLMQNXFIEG-WCQGTBRESA-N -1 0 341.201 3.554 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1ccc(OCC2CCCCC2)cc1)C1CC1 ZINC001605900656 972725997 /nfs/dbraw/zinc/72/59/97/972725997.db2.gz FQUWNMLQJWBMLL-QGZVFWFLSA-N -1 0 331.412 3.695 20 0 EHADRM C[C@@]1(Cc2cccs2)CCCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC001603346976 972753735 /nfs/dbraw/zinc/75/37/35/972753735.db2.gz YAATXAGKEHIKOJ-SFHVURJKSA-N -1 0 329.421 3.684 20 0 EHADRM C[C@@H](CCC(C)(C)C)NC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000395147809 972777917 /nfs/dbraw/zinc/77/79/17/972777917.db2.gz KPZMDMYWUUUXHP-UONOGXRCSA-N -1 0 326.481 3.734 20 0 EHADRM Cc1cc(C(=O)Nc2ccccc2C(=O)[O-])c2c(n1)onc2C(C)C ZINC001605126461 972786581 /nfs/dbraw/zinc/78/65/81/972786581.db2.gz AYCJGSPETXGHJQ-UHFFFAOYSA-N -1 0 339.351 3.605 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2cncc(Cl)c2Cl)c1 ZINC001605141076 972816044 /nfs/dbraw/zinc/81/60/44/972816044.db2.gz OOSSAHUDKBHQOZ-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM O=C([O-])[C@@]1(C(=O)NCC2(c3cccc(Cl)c3)CCC2)CC=CCC1 ZINC001605924196 972829134 /nfs/dbraw/zinc/82/91/34/972829134.db2.gz RHKDLCGWRWTQIE-IBGZPJMESA-N -1 0 347.842 3.689 20 0 EHADRM Cc1cc(C)cc(OCCNC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001605157851 972846098 /nfs/dbraw/zinc/84/60/98/972846098.db2.gz QKUQGPHWYLHOPP-UHFFFAOYSA-N -1 0 342.395 3.511 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N[C@H]2CCc3ccccc3C2)cc1 ZINC000396356191 972864941 /nfs/dbraw/zinc/86/49/41/972864941.db2.gz BWFZWBPUXVGWOO-UGSOOPFHSA-N -1 0 338.407 3.554 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CC=CC1 ZINC001605935013 972870119 /nfs/dbraw/zinc/87/01/19/972870119.db2.gz WBZRTXSZIMTBPK-UHFFFAOYSA-N -1 0 333.693 3.718 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2CC(C)(C)[C@H]3CCC[C@H]32)cc1 ZINC000396503083 972908492 /nfs/dbraw/zinc/90/84/92/972908492.db2.gz OXUWDZBPMKRODZ-VBNZEHGJSA-N -1 0 330.428 3.917 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2CC(C)(C)[C@@H]3CCC[C@@H]32)cc1 ZINC000396503079 972908606 /nfs/dbraw/zinc/90/86/06/972908606.db2.gz OXUWDZBPMKRODZ-MAZHCROVSA-N -1 0 330.428 3.917 20 0 EHADRM C[C@@H]1C[C@H](NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)C[C@@H](c2ccccc2)C1 ZINC001603375229 972920107 /nfs/dbraw/zinc/92/01/07/972920107.db2.gz MZRPGMMZVSJGCL-XCGRYBKZSA-N -1 0 329.440 3.576 20 0 EHADRM Cc1cc(NC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)cc(C(F)(F)F)c1 ZINC001605201122 972930308 /nfs/dbraw/zinc/93/03/08/972930308.db2.gz ZVRIKQWFMJMMTQ-MNOVXSKESA-N -1 0 344.333 3.731 20 0 EHADRM Cc1cc(F)ccc1CCNC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000396659493 972932010 /nfs/dbraw/zinc/93/20/10/972932010.db2.gz XULYYUPFYHTGPY-ZDUSSCGKSA-N -1 0 344.386 3.686 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1cccc(COC(C)(C)C)c1 ZINC001603388473 972990369 /nfs/dbraw/zinc/99/03/69/972990369.db2.gz JLGSKBPBJIZCIK-ZFWWWQNUSA-N -1 0 348.443 3.719 20 0 EHADRM Cc1ccc(C2(CNC(=O)[C@H](C(=O)[O-])C(C)C)CCCC2)c(C)c1 ZINC001605263353 973041357 /nfs/dbraw/zinc/04/13/57/973041357.db2.gz ULYYXYJXYQENRC-QGZVFWFLSA-N -1 0 331.456 3.588 20 0 EHADRM Cc1ccc(Cl)cc1OCC(=O)Nc1c(C)cccc1C(=O)[O-] ZINC001605281985 973076502 /nfs/dbraw/zinc/07/65/02/973076502.db2.gz DSCPEFIASFXDGT-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM C[C@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C[C@H]1C(=O)[O-] ZINC001603416636 973117549 /nfs/dbraw/zinc/11/75/49/973117549.db2.gz VOLWWFDNFUCILR-XJKSGUPXSA-N -1 0 349.858 3.721 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)c[nH]2)C[C@@H]1C(=O)[O-] ZINC001603425331 973145739 /nfs/dbraw/zinc/14/57/39/973145739.db2.gz LBTWUBJOAPPCCM-NHYWBVRUSA-N -1 0 346.814 3.518 20 0 EHADRM Cc1ccc2occ(CC(=O)N[C@@H]3C[C@@H](C(=O)[O-])c4ccccc43)c2c1 ZINC001605315169 973146036 /nfs/dbraw/zinc/14/60/36/973146036.db2.gz XOCREWWSCMZODJ-QZTJIDSGSA-N -1 0 349.386 3.713 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC001605320181 973152837 /nfs/dbraw/zinc/15/28/37/973152837.db2.gz BPTBSBMSVQFKSC-LBPRGKRZSA-N -1 0 345.782 3.536 20 0 EHADRM Cc1cccc(C(=O)NCc2cccc(C(=O)[O-])c2)c1C(F)(F)F ZINC001605320565 973156301 /nfs/dbraw/zinc/15/63/01/973156301.db2.gz QTNZXIUOCPZVBU-UHFFFAOYSA-N -1 0 337.297 3.642 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)NC2(c3ccc(F)cc3)CCCC2)co1 ZINC001606063333 973189629 /nfs/dbraw/zinc/18/96/29/973189629.db2.gz QOPLJKHVFVCXSW-BQYQJAHWSA-N -1 0 343.354 3.716 20 0 EHADRM Cc1cccc(CN(CC(C)C)C(=O)NC[C@@H](C(=O)[O-])C(C)C)c1 ZINC001605335681 973219099 /nfs/dbraw/zinc/21/90/99/973219099.db2.gz VPPOYVWTXUVFCR-QGZVFWFLSA-N -1 0 334.460 3.519 20 0 EHADRM Cc1cccc(OC(=O)Cc2ccccc2C(=O)[O-])c1Br ZINC001605345269 973239182 /nfs/dbraw/zinc/23/91/82/973239182.db2.gz LFOKTUJVORGPRH-UHFFFAOYSA-N -1 0 349.180 3.604 20 0 EHADRM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC001605348015 973246865 /nfs/dbraw/zinc/24/68/65/973246865.db2.gz XWYZMTUPIUQVCA-NRTGNBEESA-N -1 0 329.440 3.688 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)N1CCC(Cc2ccccc2)CC1)C(=O)[O-] ZINC000400690139 973308876 /nfs/dbraw/zinc/30/88/76/973308876.db2.gz BBVUDUFLOLZPKH-YJBOKZPZSA-N -1 0 346.471 3.540 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)N[C@H](C(F)F)C1CCCCC1 ZINC001606117649 973350904 /nfs/dbraw/zinc/35/09/04/973350904.db2.gz XZELBKOVAPGQHC-ZFWWWQNUSA-N -1 0 346.418 3.629 20 0 EHADRM O=C([O-])CCCCC(=O)O[C@H](c1nc2ccccc2o1)C(F)(F)F ZINC001606146301 973402656 /nfs/dbraw/zinc/40/26/56/973402656.db2.gz RSNSUPICRSFBDI-CYBMUJFWSA-N -1 0 345.273 3.619 20 0 EHADRM Cc1nc2ccc(NC(=O)NCc3ccc(C(=O)[O-])cc3)cc2s1 ZINC001605415966 973421442 /nfs/dbraw/zinc/42/14/42/973421442.db2.gz AEJJOIRGBFIYQQ-UHFFFAOYSA-N -1 0 341.392 3.625 20 0 EHADRM O=C([O-])CCSCC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC001606210480 973459157 /nfs/dbraw/zinc/45/91/57/973459157.db2.gz RRDNIHKBOATZGO-SFHVURJKSA-N -1 0 335.469 3.632 20 0 EHADRM CC[C@@H](C)n1nc(NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc1C ZINC001603516808 973536362 /nfs/dbraw/zinc/53/63/62/973536362.db2.gz WZYLQQMBNBFMDG-DGCLKSJQSA-N -1 0 338.452 3.564 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)NCC1(Nc2ccccc2C)CCCC1 ZINC001603522430 973551609 /nfs/dbraw/zinc/55/16/09/973551609.db2.gz KAFNIALVCISPCC-UHFFFAOYSA-N -1 0 346.471 3.727 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001603523281 973558622 /nfs/dbraw/zinc/55/86/22/973558622.db2.gz IWXSCXNLVBNRMB-NSHDSACASA-N -1 0 345.361 3.644 20 0 EHADRM CSCCCC(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000402231620 973603845 /nfs/dbraw/zinc/60/38/45/973603845.db2.gz VCBYYKQGQAGDAI-UHFFFAOYSA-N -1 0 346.246 3.537 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)ccc1Br ZINC000403203096 973666612 /nfs/dbraw/zinc/66/66/12/973666612.db2.gz GGFUUEOUYVDBAG-OPRDCNLKSA-N -1 0 338.201 3.522 20 0 EHADRM CC[C@@H](CNC(=O)NCC1(c2ccc(C)cc2C)CCCC1)C(=O)[O-] ZINC001603561484 973676564 /nfs/dbraw/zinc/67/65/64/973676564.db2.gz NOKWVWIRZWBQHR-INIZCTEOSA-N -1 0 346.471 3.525 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N2CC(c3ccc(Cl)cc3)C2)c1 ZINC001606310795 973721252 /nfs/dbraw/zinc/72/12/52/973721252.db2.gz FUPBLLBLUSJIFK-UHFFFAOYSA-N -1 0 344.798 3.598 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1ccccc1-c1ccncc1 ZINC001606320666 973739244 /nfs/dbraw/zinc/73/92/44/973739244.db2.gz QAMUQGFWOKZHLU-UHFFFAOYSA-N -1 0 332.359 3.628 20 0 EHADRM CC[C@@H](NC(=O)NCc1ccccc1C(=O)[O-])c1cc(F)ccc1F ZINC001603582282 973741474 /nfs/dbraw/zinc/74/14/74/973741474.db2.gz HFEVPRWNEQTWFM-MRXNPFEDSA-N -1 0 348.349 3.614 20 0 EHADRM Cc1cc(NC(=O)N2CCc3ccccc3[C@H](C)C2)ccc1C(=O)[O-] ZINC000404765848 973747683 /nfs/dbraw/zinc/74/76/83/973747683.db2.gz GGSHSMDBWVDUBL-CQSZACIVSA-N -1 0 338.407 3.887 20 0 EHADRM Cc1cc(NC(=O)c2cscc2Br)ccc1C(=O)[O-] ZINC000404864943 973754502 /nfs/dbraw/zinc/75/45/02/973754502.db2.gz AZXCHUYTELSXCQ-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N[C@H](C(=O)[O-])c1cccc(C)c1 ZINC001603593757 973808771 /nfs/dbraw/zinc/80/87/71/973808771.db2.gz NJNBLJTWHMLQEU-BGTYHANMSA-N -1 0 347.455 3.611 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC001606401346 973855221 /nfs/dbraw/zinc/85/52/21/973855221.db2.gz FZHYRSKZPUEEQG-BRWVUGGUSA-N -1 0 327.424 3.631 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)Nc1ccccc1SC(F)F)CC1CC1 ZINC000405681925 973902475 /nfs/dbraw/zinc/90/24/75/973902475.db2.gz MHNAYEHVXKGYSO-SNVBAGLBSA-N -1 0 344.383 3.624 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1CNC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001603619809 973917219 /nfs/dbraw/zinc/91/72/19/973917219.db2.gz LLJNQFNUSCDSHI-QINHECLXSA-N -1 0 346.471 3.545 20 0 EHADRM CC[C@@H](C)OCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](CC)C2 ZINC001603625506 973935168 /nfs/dbraw/zinc/93/51/68/973935168.db2.gz XWGNJYHQCNLKSM-MNOVXSKESA-N -1 0 339.457 3.715 20 0 EHADRM CC[C@@H](C)OCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](CC)C2 ZINC001603625504 973935591 /nfs/dbraw/zinc/93/55/91/973935591.db2.gz XWGNJYHQCNLKSM-GHMZBOCLSA-N -1 0 339.457 3.715 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2CCCc3sccc32)c1 ZINC000414454964 973940389 /nfs/dbraw/zinc/94/03/89/973940389.db2.gz SAXSWWZBKKQVLI-IAQYHMDHSA-N -1 0 329.421 3.995 20 0 EHADRM CN(Cc1c(Cl)cccc1Cl)C(=O)NCCCCCC(=O)[O-] ZINC000414625181 973942902 /nfs/dbraw/zinc/94/29/02/973942902.db2.gz KDLQUVYMMPDJLP-UHFFFAOYSA-N -1 0 347.242 3.780 20 0 EHADRM CCC[C@H](C)[C@H]1CCCN1C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001603633129 973957743 /nfs/dbraw/zinc/95/77/43/973957743.db2.gz WZUOSNXICCFGBC-VPWXQRGCSA-N -1 0 346.471 3.639 20 0 EHADRM O=C([O-])[C@@H](NCc1cnc(C2CCCC2)s1)c1ccccc1F ZINC000417560035 973960648 /nfs/dbraw/zinc/96/06/48/973960648.db2.gz ZCPKCFOSWSCLBT-HNNXBMFYSA-N -1 0 334.416 3.855 20 0 EHADRM CCC[C@@H](NC(=O)Nc1cncc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC001603634070 973967302 /nfs/dbraw/zinc/96/73/02/973967302.db2.gz WDJYFJSDZSYRTL-OAHLLOKOSA-N -1 0 349.337 3.721 20 0 EHADRM Cc1cc(Cl)c2ccccc2c1NC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000417797852 973969043 /nfs/dbraw/zinc/96/90/43/973969043.db2.gz STIGRFABYORISA-NSHDSACASA-N -1 0 332.787 3.740 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N2CCCC[C@H]2CC2CCC2)cc1 ZINC001606489307 973973214 /nfs/dbraw/zinc/97/32/14/973973214.db2.gz UYGHCXHYXLXXGF-KRWDZBQOSA-N -1 0 330.428 3.639 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)CC[C@H]1CC1(Cl)Cl ZINC001606502075 973990876 /nfs/dbraw/zinc/99/08/76/973990876.db2.gz BTHGIULRLPCYQW-LBPRGKRZSA-N -1 0 342.222 3.638 20 0 EHADRM Cc1coc(-c2cccc(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])c2)n1 ZINC000424377358 974022167 /nfs/dbraw/zinc/02/21/67/974022167.db2.gz DIRGWTMWKIABEW-AWEZNQCLSA-N -1 0 345.399 3.518 20 0 EHADRM CCSc1cccc(F)c1NC(=O)NCCC(C)(C)C(=O)[O-] ZINC000424392244 974026130 /nfs/dbraw/zinc/02/61/30/974026130.db2.gz SOIVVPJRZQFIKJ-UHFFFAOYSA-N -1 0 328.409 3.560 20 0 EHADRM O=C([O-])c1cccnc1NC(=O)[C@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC001606529117 974043926 /nfs/dbraw/zinc/04/39/26/974043926.db2.gz ZHNJCBMKOYQJTO-JQWIXIFHSA-N -1 0 348.761 3.705 20 0 EHADRM Cc1cc(C)cc([C@H](NCc2cnc(C(C)(C)C)s2)C(=O)[O-])c1 ZINC000426742263 974046571 /nfs/dbraw/zinc/04/65/71/974046571.db2.gz JDZATWSXHCHLCC-HNNXBMFYSA-N -1 0 332.469 3.973 20 0 EHADRM COCc1cc(NC(=O)c2ccccc2SC)cc(C(=O)[O-])c1 ZINC000427683825 974055088 /nfs/dbraw/zinc/05/50/88/974055088.db2.gz ZBQFDWKBJQNDLL-UHFFFAOYSA-N -1 0 331.393 3.505 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1ccc(Cl)c(F)c1)C(=O)[O-] ZINC000431443549 974064135 /nfs/dbraw/zinc/06/41/35/974064135.db2.gz FXDAKQPBIPORKA-LBPRGKRZSA-N -1 0 349.789 3.842 20 0 EHADRM Cc1cc(Cl)c(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1C ZINC000431784287 974075101 /nfs/dbraw/zinc/07/51/01/974075101.db2.gz WZLSSSJXESBKCK-INIZCTEOSA-N -1 0 343.810 3.781 20 0 EHADRM CCCCOc1ccc(C(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])cc1 ZINC000431888493 974078734 /nfs/dbraw/zinc/07/87/34/974078734.db2.gz XCRFICJNTOJJOS-APWZRJJASA-N -1 0 333.428 3.629 20 0 EHADRM O=C([O-])[C@H](NC(=O)C[C@H]1CCCc2ccccc21)c1ccc(F)cc1 ZINC001605670063 974079313 /nfs/dbraw/zinc/07/93/13/974079313.db2.gz FJVPBTBCPMPEAX-DNVCBOLYSA-N -1 0 341.382 3.578 20 0 EHADRM CC(C)Sc1ccc(C(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])cc1 ZINC000432114860 974088971 /nfs/dbraw/zinc/08/89/71/974088971.db2.gz LMEARQPLRGKQRH-QAPCUYQASA-N -1 0 335.469 3.950 20 0 EHADRM COc1ccc2cc([C@@H](C)OC(=O)[C@H](C(=O)[O-])C3CC3)ccc2c1 ZINC001604850912 974090342 /nfs/dbraw/zinc/09/03/42/974090342.db2.gz DBHUYBQXPIYGQV-DIFFPNOSSA-N -1 0 328.364 3.563 20 0 EHADRM CC1(C)CC[C@H](CNC(=O)c2cc(C(=O)[O-])co2)c2ccccc21 ZINC000439723451 974108290 /nfs/dbraw/zinc/10/82/90/974108290.db2.gz YWGSURSPOQRNRM-GFCCVEGCSA-N -1 0 327.380 3.563 20 0 EHADRM Cc1ccc(CCC(=O)N[C@@](C)(CC(=O)[O-])c2cccc(F)c2)cc1 ZINC000448988655 974129412 /nfs/dbraw/zinc/12/94/12/974129412.db2.gz FFJRBPOPRKHRRT-FQEVSTJZSA-N -1 0 343.398 3.573 20 0 EHADRM Cc1ccc([C@H](CNC(=O)CC[C@H](C)c2ccccc2)C(=O)[O-])cc1 ZINC000450521376 974146906 /nfs/dbraw/zinc/14/69/06/974146906.db2.gz XRLUYAZMYPVYJP-LPHOPBHVSA-N -1 0 339.435 3.863 20 0 EHADRM CC(C)(CC(=O)N[C@](C)(CC(=O)[O-])c1cccc(F)c1)C(F)(F)F ZINC000450526998 974148739 /nfs/dbraw/zinc/14/87/39/974148739.db2.gz XJWOLZXLRUAFHZ-OAHLLOKOSA-N -1 0 349.324 3.610 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@H](C)Oc1cccc(F)c1 ZINC000472018106 974200875 /nfs/dbraw/zinc/20/08/75/974200875.db2.gz SNZLRVOJBOZYKL-LBPRGKRZSA-N -1 0 331.343 3.547 20 0 EHADRM CC(C)COc1ccccc1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000478836383 974209329 /nfs/dbraw/zinc/20/93/29/974209329.db2.gz INQUBMZWKPITNS-UHFFFAOYSA-N -1 0 331.343 3.811 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCCCc2ccc(Cl)cc2)c(F)c1 ZINC000478840843 974210057 /nfs/dbraw/zinc/21/00/57/974210057.db2.gz YRTCKKYLMFXYJX-UHFFFAOYSA-N -1 0 335.762 3.540 20 0 EHADRM C[C@@H](CC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-])C1CCCCC1 ZINC000486014563 974242720 /nfs/dbraw/zinc/24/27/20/974242720.db2.gz GPTCTWMJFBCJNR-IFXJQAMLSA-N -1 0 329.440 3.804 20 0 EHADRM COc1ccc(-c2nc(CN3CC[C@@H](C)C[C@@H]3C(=O)[O-])cs2)cc1 ZINC000517381624 974317128 /nfs/dbraw/zinc/31/71/28/974317128.db2.gz NLNFCQPCEZOVQD-MLGOLLRUSA-N -1 0 346.452 3.504 20 0 EHADRM O=C([O-])c1cnc(N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)nc1 ZINC000517943271 974320120 /nfs/dbraw/zinc/32/01/20/974320120.db2.gz OZAGCQBPQQRMAU-MJHDQNEOSA-N -1 0 337.301 3.552 20 0 EHADRM CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCC[C@@]1(C)C(=O)[O-] ZINC000530207839 974364732 /nfs/dbraw/zinc/36/47/32/974364732.db2.gz ROIXPRZDONVZPB-FQEVSTJZSA-N -1 0 346.471 3.811 20 0 EHADRM C[C@@H]1CCCC[C@H]1CC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000539572431 974395647 /nfs/dbraw/zinc/39/56/47/974395647.db2.gz DGUFQZKCVHTBEV-NEPJUHHUSA-N -1 0 339.819 3.958 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N3CCc4ccc(C(=O)[O-])cc4C3)cc2c1C ZINC000540776135 974408576 /nfs/dbraw/zinc/40/85/76/974408576.db2.gz CLQXFJNGSSZXHR-UHFFFAOYSA-N -1 0 348.402 3.681 20 0 EHADRM Cc1cc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)sc1-c1ccccc1 ZINC000563550413 974535807 /nfs/dbraw/zinc/53/58/07/974535807.db2.gz ZFLUCYKSXKSHTC-SFHVURJKSA-N -1 0 329.421 3.660 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000564669393 974551648 /nfs/dbraw/zinc/55/16/48/974551648.db2.gz JCNVUXNIZJYNGF-IIHSZXCVSA-N -1 0 347.455 3.550 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000564669394 974551719 /nfs/dbraw/zinc/55/17/19/974551719.db2.gz JCNVUXNIZJYNGF-JHDROBOHSA-N -1 0 347.455 3.550 20 0 EHADRM C[C@H](c1ccc(Cl)cc1Cl)N(C)Cc1oncc1C(=O)[O-] ZINC000565104556 974570582 /nfs/dbraw/zinc/57/05/82/974570582.db2.gz UQQCJCPOUBEIFW-MRVPVSSYSA-N -1 0 329.183 3.873 20 0 EHADRM O=C([O-])[C@@H](c1ccccc1F)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000566363545 974610705 /nfs/dbraw/zinc/61/07/05/974610705.db2.gz OGGCSAKGCRCFAP-DLBZAZTESA-N -1 0 349.789 3.678 20 0 EHADRM O=C([O-])[C@H](c1ccccc1F)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000566363548 974610879 /nfs/dbraw/zinc/61/08/79/974610879.db2.gz OGGCSAKGCRCFAP-SJORKVTESA-N -1 0 349.789 3.678 20 0 EHADRM O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)CC/C=C\c2ccccc2)C1 ZINC000567504350 974635855 /nfs/dbraw/zinc/63/58/55/974635855.db2.gz KUAXNHNTRNYPKV-WMAYMBLKSA-N -1 0 349.430 3.735 20 0 EHADRM O=C([O-])c1ccc(CN2CCO[C@@H](c3ccccc3)C2)cc1Cl ZINC000568060143 974656044 /nfs/dbraw/zinc/65/60/44/974656044.db2.gz SIQUDRHJPYFNTJ-QGZVFWFLSA-N -1 0 331.799 3.612 20 0 EHADRM CC1CCC(OC2CCN([C@H](C(=O)[O-])c3ccsc3)CC2)CC1 ZINC000569347445 974689193 /nfs/dbraw/zinc/68/91/93/974689193.db2.gz CBDYHYKQHKGLFL-PGEKIEPBSA-N -1 0 337.485 3.934 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N(CCc1ccc(F)cc1)C1CCCC1 ZINC000572975166 974757721 /nfs/dbraw/zinc/75/77/21/974757721.db2.gz NELTWCTYPAFEEP-AWEZNQCLSA-N -1 0 335.419 3.640 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000573623965 974768965 /nfs/dbraw/zinc/76/89/65/974768965.db2.gz GUGQXOYHMOCINZ-FUHWJXTLSA-N -1 0 331.456 3.749 20 0 EHADRM COc1ccc(-c2nc(CN([C@@H](C)C(=O)[O-])C3CCC3)cs2)cc1 ZINC000575003967 974794086 /nfs/dbraw/zinc/79/40/86/974794086.db2.gz ZZUAQHFDJBNIPU-LBPRGKRZSA-N -1 0 346.452 3.646 20 0 EHADRM Cc1ccc(C[C@H]2CCCN(C(=O)c3cccc(C(=O)[O-])c3)C2)cc1 ZINC000576416460 974814643 /nfs/dbraw/zinc/81/46/43/974814643.db2.gz DBDKYKVEUGZJMA-QGZVFWFLSA-N -1 0 337.419 3.788 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)[C@@H]2C[C@H]2C2CCC2)c1 ZINC000576404845 974814647 /nfs/dbraw/zinc/81/46/47/974814647.db2.gz WHLMLNLIOPOGNC-JKSUJKDBSA-N -1 0 333.453 3.769 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)NC[C@H](CC2CC2)C(=O)[O-])cc1 ZINC000579364233 974873779 /nfs/dbraw/zinc/87/37/79/974873779.db2.gz YXKDXLKLTRJCCM-HNNXBMFYSA-N -1 0 343.448 3.954 20 0 EHADRM CCC[C@@H]1CN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)CCO1 ZINC000580336736 974892707 /nfs/dbraw/zinc/89/27/07/974892707.db2.gz YSFZNJWJJQKQEW-MRXNPFEDSA-N -1 0 346.452 3.509 20 0 EHADRM O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)CCC2CCCCC2)C1 ZINC000581191941 974906495 /nfs/dbraw/zinc/90/64/95/974906495.db2.gz HIABNSUFDKIVBI-HXUWFJFHSA-N -1 0 329.440 3.602 20 0 EHADRM CCCN(CC(F)F)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000583147849 974936805 /nfs/dbraw/zinc/93/68/05/974936805.db2.gz QYQHBTDYLZRIFW-LBPRGKRZSA-N -1 0 336.176 3.552 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CN(C)Cc1ccc(Br)o1 ZINC000583268402 974938598 /nfs/dbraw/zinc/93/85/98/974938598.db2.gz ONNOPBFJCUDKHI-UHFFFAOYSA-N -1 0 344.230 3.742 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c2ccccc12 ZINC000584345199 974953595 /nfs/dbraw/zinc/95/35/95/974953595.db2.gz QTBRHSKHKLPRPD-MJBXVCDLSA-N -1 0 339.391 3.678 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)C2(C(F)F)CCC2)c1 ZINC000600870318 975008810 /nfs/dbraw/zinc/00/88/10/975008810.db2.gz PUIPUIKFCVGDFR-UHFFFAOYSA-N -1 0 343.395 3.768 20 0 EHADRM CCCC[C@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(OC)cc1)C(C)C ZINC000621533142 975027096 /nfs/dbraw/zinc/02/70/96/975027096.db2.gz XSFSSYSZRWQBNR-DLBZAZTESA-N -1 0 335.444 3.790 20 0 EHADRM CCn1cc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)c2ccccc21 ZINC000621555941 975031502 /nfs/dbraw/zinc/03/15/02/975031502.db2.gz WJDDAWNCSSNIGA-CQSZACIVSA-N -1 0 342.420 3.669 20 0 EHADRM Cc1nc(-c2ccccc2)sc1C(=O)N1CCCCC[C@H]1C(=O)[O-] ZINC000621566306 975033270 /nfs/dbraw/zinc/03/32/70/975033270.db2.gz IYXRLBJUSGCYDQ-AWEZNQCLSA-N -1 0 344.436 3.588 20 0 EHADRM O=C([O-])[C@H]1CCCCCN1C(=O)c1ccc(-c2ccccc2F)o1 ZINC000621566715 975033744 /nfs/dbraw/zinc/03/37/44/975033744.db2.gz ZNMNOVRJFASPDS-CQSZACIVSA-N -1 0 331.343 3.555 20 0 EHADRM O=C([O-])[C@@H]1CCCCCN1C(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000621568061 975035221 /nfs/dbraw/zinc/03/52/21/975035221.db2.gz LCLHDVLHNTZFMV-KBPBESRZSA-N -1 0 343.345 3.578 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)CC1CC(c3ccccc3)C1)C2 ZINC000621579861 975040760 /nfs/dbraw/zinc/04/07/60/975040760.db2.gz BSBHAUHAGJQKGD-UHFFFAOYSA-N -1 0 349.430 3.853 20 0 EHADRM C[C@@H](C(=O)N1CCc2c(cccc2C(=O)[O-])C1)c1ccc(Cl)s1 ZINC000621579865 975040811 /nfs/dbraw/zinc/04/08/11/975040811.db2.gz BYGKRSRTROILOX-SNVBAGLBSA-N -1 0 349.839 3.788 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)CSc1ccccc1 ZINC000621588121 975045487 /nfs/dbraw/zinc/04/54/87/975045487.db2.gz QNBCDTPSSKQYJC-IRXDYDNUSA-N -1 0 341.432 3.596 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000621599716 975054144 /nfs/dbraw/zinc/05/41/44/975054144.db2.gz KMWJOJDZSPRRGZ-KGLIPLIRSA-N -1 0 343.345 3.555 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ncc(C(=O)[O-])s1 ZINC000621607834 975056283 /nfs/dbraw/zinc/05/62/83/975056283.db2.gz CCOZSPIGYHXFQD-JTQLQIEISA-N -1 0 332.425 3.630 20 0 EHADRM CC(C)[C@@H]1C[C@H](NC(=O)NC2CCC(C(=O)[O-])CC2)c2ccccc21 ZINC000626765503 975069584 /nfs/dbraw/zinc/06/95/84/975069584.db2.gz FPUMSFQVWWZMFH-GNNGFNCTSA-N -1 0 344.455 3.814 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)c1cccs1 ZINC000630101431 975101312 /nfs/dbraw/zinc/10/13/12/975101312.db2.gz KVQXCKFVNHTLJJ-BZUAXINKSA-N -1 0 343.448 3.964 20 0 EHADRM Cc1ccccc1C1(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)CCCC1 ZINC000630101474 975101412 /nfs/dbraw/zinc/10/14/12/975101412.db2.gz LXVNLRQUFOLTIE-QGZVFWFLSA-N -1 0 341.451 3.520 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)C[C@@H](C)c1ccco1)C(=O)[O-] ZINC000630123079 975110830 /nfs/dbraw/zinc/11/08/30/975110830.db2.gz OZNITTNZCGPLRQ-HUUCEWRRSA-N -1 0 329.396 3.523 20 0 EHADRM Cc1ccccc1C[C@@H](C)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000630156547 975133439 /nfs/dbraw/zinc/13/34/39/975133439.db2.gz HOOHTFIYNXNJEX-WBVHZDCISA-N -1 0 331.456 3.523 20 0 EHADRM O=C([O-])c1ccc([C@H](NC(=O)[C@H]2CCCC23CC3)C(F)(F)F)cc1 ZINC000630191123 975150704 /nfs/dbraw/zinc/15/07/04/975150704.db2.gz QMTALLXYWHRFRQ-OLZOCXBDSA-N -1 0 341.329 3.685 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)CCc1ccc(C(F)F)cc1)C(=O)[O-] ZINC000630201415 975157716 /nfs/dbraw/zinc/15/77/16/975157716.db2.gz TXSMYZWBGAMSEK-BXUZGUMPSA-N -1 0 327.371 3.562 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000630216384 975163645 /nfs/dbraw/zinc/16/36/45/975163645.db2.gz DKUIFAZKAKVBNZ-YVSFHVDLSA-N -1 0 341.432 3.669 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1ccc(C(F)F)o1 ZINC000630218280 975164333 /nfs/dbraw/zinc/16/43/33/975164333.db2.gz XVJWSZIAJWNRRB-NEPJUHHUSA-N -1 0 341.354 3.713 20 0 EHADRM O=C([O-])c1cnc(C2CCN(C(=O)[C@@H]3CCCC4(CC4)C3)CC2)s1 ZINC000630245766 975191926 /nfs/dbraw/zinc/19/19/26/975191926.db2.gz VXLGVHWZTQCIPD-CYBMUJFWSA-N -1 0 348.468 3.518 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1occc1-c1ccccc1)C1CCCCC1 ZINC000630265779 975209318 /nfs/dbraw/zinc/20/93/18/975209318.db2.gz UTBCGMHEMJELNP-QGZVFWFLSA-N -1 0 341.407 3.958 20 0 EHADRM CC1(C)[C@H](c2ccc(F)cc2)CCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000630266857 975210359 /nfs/dbraw/zinc/21/03/59/975210359.db2.gz CXAHFGXOVNUERD-KRWDZBQOSA-N -1 0 341.382 3.932 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC000630281151 975226017 /nfs/dbraw/zinc/22/60/17/975226017.db2.gz BGQKFBLAQHVILV-UTXMOHQDSA-N -1 0 349.858 3.620 20 0 EHADRM Cc1cc(CNC(=O)C2(c3ccccc3C)CCCC2)oc1C(=O)[O-] ZINC000630329706 975257687 /nfs/dbraw/zinc/25/76/87/975257687.db2.gz HTWZBGDFSXXEJN-UHFFFAOYSA-N -1 0 341.407 3.723 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NCc2cncc(Br)c2)cc1 ZINC000630467417 975266547 /nfs/dbraw/zinc/26/65/47/975266547.db2.gz KMFSEDZQFGNLKF-LSDHHAIUSA-N -1 0 347.212 3.644 20 0 EHADRM CC(C)(C)c1ncc(CNc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)cn1 ZINC000630469178 975267322 /nfs/dbraw/zinc/26/73/22/975267322.db2.gz XZKYHHRGGFTRMD-JKSUJKDBSA-N -1 0 325.412 3.574 20 0 EHADRM CC[C@@](C)(NC(=O)CC1(CC(=O)[O-])CCCC1)c1nc(C)cs1 ZINC000634888017 975280293 /nfs/dbraw/zinc/28/02/93/975280293.db2.gz SKQWWUDOTDSRGF-MRXNPFEDSA-N -1 0 338.473 3.618 20 0 EHADRM CN(C(=O)CC1(CC(=O)[O-])CCCC1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000634936754 975281525 /nfs/dbraw/zinc/28/15/25/975281525.db2.gz SNVCRJIBBZLJBP-BETUJISGSA-N -1 0 349.393 3.991 20 0 EHADRM CC1=C(c2ccco2)CN(C(=O)CC2(CC(=O)[O-])CCCC2)CC1 ZINC000634946290 975281846 /nfs/dbraw/zinc/28/18/46/975281846.db2.gz LHOCFUOBJKLQSL-UHFFFAOYSA-N -1 0 331.412 3.711 20 0 EHADRM COCc1cc(NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)cc(C(=O)[O-])c1 ZINC000644631780 975327092 /nfs/dbraw/zinc/32/70/92/975327092.db2.gz RSFQMSFAXPBYNO-JKSUJKDBSA-N -1 0 331.412 3.708 20 0 EHADRM O=C([O-])c1cnc(N[C@@H](c2ccccc2)[C@H]2CCCO2)c(Cl)c1 ZINC000647446136 975359896 /nfs/dbraw/zinc/35/98/96/975359896.db2.gz BXCBKTSGQOONRY-CABCVRRESA-N -1 0 332.787 3.765 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC000648353203 975382634 /nfs/dbraw/zinc/38/26/34/975382634.db2.gz JQCSYQSKQQUEIZ-IUPBHXKESA-N -1 0 344.238 3.542 20 0 EHADRM Cc1ccc(CCC(=O)N2CCc3cccc(C(=O)[O-])c3C2)c(C)c1 ZINC000649257564 975396951 /nfs/dbraw/zinc/39/69/51/975396951.db2.gz OZZBVVLILWFXEL-UHFFFAOYSA-N -1 0 337.419 3.519 20 0 EHADRM O=C([O-])[C@H]1CN(c2nc(C3CCCCC3)ns2)Cc2ccccc21 ZINC000649400879 975415396 /nfs/dbraw/zinc/41/53/96/975415396.db2.gz JOYPMAWYHMLNLC-HNNXBMFYSA-N -1 0 343.452 3.774 20 0 EHADRM CC(C)Nc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2Cl)cn1 ZINC001591668292 975424274 /nfs/dbraw/zinc/42/42/74/975424274.db2.gz WQOOFTUTOYOCOL-OAHLLOKOSA-N -1 0 348.786 3.538 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)[C@@H]2C[C@@H]2C2CCCC2)cc1Cl ZINC000652063813 975463257 /nfs/dbraw/zinc/46/32/57/975463257.db2.gz VZMCQGJMINMKQJ-CHWSQXEVSA-N -1 0 337.803 3.568 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CN1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000652401461 975521917 /nfs/dbraw/zinc/52/19/17/975521917.db2.gz GNOSEEPCHRVREH-WBMJQRKESA-N -1 0 331.437 3.717 20 0 EHADRM Cc1cc([C@H](C)N2CCO[C@@H](c3ccccc3C)C2)oc1C(=O)[O-] ZINC000652417278 975528016 /nfs/dbraw/zinc/52/80/16/975528016.db2.gz IFPSSVILMGKQFK-WMLDXEAASA-N -1 0 329.396 3.729 20 0 EHADRM CCC[C@H]1CN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CCO1 ZINC000652419457 975528671 /nfs/dbraw/zinc/52/86/71/975528671.db2.gz WRJBNCJWFDYFKX-HZMBPMFUSA-N -1 0 332.227 3.620 20 0 EHADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)CC1CCC(C(C)(C)C)CC1 ZINC001591704915 975566528 /nfs/dbraw/zinc/56/65/28/975566528.db2.gz VEJBZYPHAAINAS-GPANFISMSA-N -1 0 341.492 3.566 20 0 EHADRM C[C@H](C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccc(Cl)cc1 ZINC000653326855 975589774 /nfs/dbraw/zinc/58/97/74/975589774.db2.gz MCKLRPDZFNAWLP-JECHBYEQSA-N -1 0 343.810 3.873 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(CC(=O)[O-])c1 ZINC000653636321 975599650 /nfs/dbraw/zinc/59/96/50/975599650.db2.gz BETHKLNPHDFYGL-UHFFFAOYSA-N -1 0 337.828 3.691 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000653640006 975606383 /nfs/dbraw/zinc/60/63/83/975606383.db2.gz FHYUBFKHEUCUCB-IBGZPJMESA-N -1 0 341.382 3.724 20 0 EHADRM O=C([O-])[C@H](c1c(F)cccc1Cl)N1CCC[C@@H](OC2CCC2)C1 ZINC000656191955 975645855 /nfs/dbraw/zinc/64/58/55/975645855.db2.gz TYNAKBBSXZDTKY-WBMJQRKESA-N -1 0 341.810 3.638 20 0 EHADRM C[C@H](CN(C(=O)CCc1c(Cl)cccc1Cl)C1CC1)C(=O)[O-] ZINC000656238321 975653573 /nfs/dbraw/zinc/65/35/73/975653573.db2.gz LUJXZHWIUDQQOC-SNVBAGLBSA-N -1 0 344.238 3.638 20 0 EHADRM Cc1ccc([C@@H]2C[C@H]2C(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1C ZINC000659119026 975715994 /nfs/dbraw/zinc/71/59/94/975715994.db2.gz DJXNYZLXGIGUBV-XHSDSOJGSA-N -1 0 343.448 3.801 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000659128609 975726869 /nfs/dbraw/zinc/72/68/69/975726869.db2.gz OWYMZTCDBHVSBV-HWMZRRJGSA-N -1 0 329.440 3.662 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CC2(CCCC2)c2ccccc21 ZINC000659139976 975739322 /nfs/dbraw/zinc/73/93/22/975739322.db2.gz ITNFPACTRYEDEK-UHFFFAOYSA-N -1 0 325.364 3.758 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[C@@H]1CCCc1ccccc1 ZINC000659153083 975753141 /nfs/dbraw/zinc/75/31/41/975753141.db2.gz HNJDCXAZBGJJDN-INIZCTEOSA-N -1 0 341.407 3.914 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)NCC(C)(C)c1ccc(Cl)cc1 ZINC000659153719 975753843 /nfs/dbraw/zinc/75/38/43/975753843.db2.gz LFIIKUXVBNTIRN-UHFFFAOYSA-N -1 0 335.787 3.647 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C2[C@H]3CCCCCC[C@H]23)C[C@@H]1c1ccccc1 ZINC000659161284 975760371 /nfs/dbraw/zinc/76/03/71/975760371.db2.gz USCFXLLLZDZLDI-WNRNVDISSA-N -1 0 341.451 3.530 20 0 EHADRM CC(C)Oc1c(NC(=O)N2C[C@@H]3CCCC[C@@H]3C2)cccc1C(=O)[O-] ZINC001591744536 975770167 /nfs/dbraw/zinc/77/01/67/975770167.db2.gz PDWMXCRGXBVDOA-OKILXGFUSA-N -1 0 346.427 3.826 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2coc3ccccc23)[C@H]2CCCC[C@H]12 ZINC000659194711 975795698 /nfs/dbraw/zinc/79/56/98/975795698.db2.gz MPHAZYCNWQZDBR-XPKDYRNWSA-N -1 0 327.380 3.538 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)NC[C@H](CC(=O)[O-])C3CC3)s2)o1 ZINC000659205724 975814502 /nfs/dbraw/zinc/81/45/02/975814502.db2.gz BHRMZBGDRIIDLA-LBPRGKRZSA-N -1 0 333.409 3.547 20 0 EHADRM O=C([O-])C[C@H](CNC(=O)[C@H]1C[C@H]1c1cccc2ccccc21)C1CC1 ZINC000659207839 975816993 /nfs/dbraw/zinc/81/69/93/975816993.db2.gz CYPAWUJPVGDKOD-MNEFBYGVSA-N -1 0 337.419 3.560 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)NCc2ccc3sccc3c2)CC1 ZINC000659402236 975846282 /nfs/dbraw/zinc/84/62/82/975846282.db2.gz BFKAROOAWASVEH-UHFFFAOYSA-N -1 0 346.452 3.688 20 0 EHADRM Cc1sc(N2CCC3(CCc4ccccc4O3)CC2)nc1C(=O)[O-] ZINC000659788121 975873030 /nfs/dbraw/zinc/87/30/30/975873030.db2.gz XGCLRQAQTFBVOG-UHFFFAOYSA-N -1 0 344.436 3.514 20 0 EHADRM O=C([O-])CN(Cc1cc(-c2ccccc2Cl)on1)C1CCCC1 ZINC000659791610 975880839 /nfs/dbraw/zinc/88/08/39/975880839.db2.gz NNGOAUGOKPWVIY-UHFFFAOYSA-N -1 0 334.803 3.824 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NCC1(C(C)C)CC1 ZINC001591767780 975882948 /nfs/dbraw/zinc/88/29/48/975882948.db2.gz QIZOQPYIWIOFIG-UHFFFAOYSA-N -1 0 334.416 3.730 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC[C@H]1C[C@]1(C)Br ZINC001591771962 975902541 /nfs/dbraw/zinc/90/25/41/975902541.db2.gz SKPNYNNCAWDCBG-ABAIWWIYSA-N -1 0 342.233 3.757 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)c(F)c1 ZINC001591786347 975955138 /nfs/dbraw/zinc/95/51/38/975955138.db2.gz CYMNCWYLXCVZQS-CQSZACIVSA-N -1 0 340.395 3.624 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccc(NC3CCCCC3)cc2)C1 ZINC000666362086 975960189 /nfs/dbraw/zinc/96/01/89/975960189.db2.gz NOZNPWJIUQMPAU-UONOGXRCSA-N -1 0 330.428 3.871 20 0 EHADRM C[C@@H]1C[C@@H]1[C@@H](NC(=O)NCCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000666530970 975965583 /nfs/dbraw/zinc/96/55/83/975965583.db2.gz LHAHXPYTUKAIJO-WPGHFRTFSA-N -1 0 338.835 3.591 20 0 EHADRM Cc1cccc([C@@H]2CCN(C(=O)CCc3ccc(C(=O)[O-])cc3)C2)c1 ZINC000668298974 975991603 /nfs/dbraw/zinc/99/16/03/975991603.db2.gz PGFDYBXWFAJKLB-LJQANCHMSA-N -1 0 337.419 3.642 20 0 EHADRM CC(C)Oc1cccc(CC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])c1 ZINC001591792041 975992725 /nfs/dbraw/zinc/99/27/25/975992725.db2.gz AVUMNOPGXNYEQO-GOSISDBHSA-N -1 0 347.455 3.556 20 0 EHADRM CC(C)c1ccc(C(C)(C)NC(=O)NC2CC(CC(=O)[O-])C2)cc1 ZINC001591947249 976489341 /nfs/dbraw/zinc/48/93/41/976489341.db2.gz JAXAYTYOGJCJJY-UHFFFAOYSA-N -1 0 332.444 3.598 20 0 EHADRM CC(C)c1ccc(C(C)(C)NC(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1 ZINC001591947814 976495219 /nfs/dbraw/zinc/49/52/19/976495219.db2.gz XQZIFKIOUYBDJD-UHFFFAOYSA-N -1 0 343.427 3.904 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)NCC(C)(C)CC(=O)[O-])CC2 ZINC001591973721 976579936 /nfs/dbraw/zinc/57/99/36/976579936.db2.gz IVCGEBMQNSONQR-INIZCTEOSA-N -1 0 332.444 3.597 20 0 EHADRM CC(C)c1ccc(OCCC(=O)N(C)C2(C(=O)[O-])CCCCC2)cc1 ZINC001591973912 976581456 /nfs/dbraw/zinc/58/14/56/976581456.db2.gz JLKUBCBDAOVKFU-UHFFFAOYSA-N -1 0 347.455 3.825 20 0 EHADRM CC(C)c1ccc(OCCC(=O)N[C@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001591974430 976588397 /nfs/dbraw/zinc/58/83/97/976588397.db2.gz WSFAACGIAVZAHP-IBGZPJMESA-N -1 0 347.455 3.729 20 0 EHADRM CC(C)c1cccc2c1CCN(Cc1nc3cc(C(=O)[O-])ccc3[nH]1)C2 ZINC001591994544 976634078 /nfs/dbraw/zinc/63/40/78/976634078.db2.gz QXQOAVBYCBCJLZ-UHFFFAOYSA-N -1 0 349.434 3.943 20 0 EHADRM CC(C)c1csc(NC(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)n1 ZINC001592009116 976685022 /nfs/dbraw/zinc/68/50/22/976685022.db2.gz YDXTVYXECMJEEC-GFCCVEGCSA-N -1 0 339.461 3.669 20 0 EHADRM CC(C)c1nc(C(=O)O[C@@H](CCCc2ccccc2)C(=O)[O-])cs1 ZINC001592011793 976691211 /nfs/dbraw/zinc/69/12/11/976691211.db2.gz UHIBWOALBRLBSH-HNNXBMFYSA-N -1 0 347.436 3.899 20 0 EHADRM CC(C)c1nc(NC(=O)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)sc1C(=O)[O-] ZINC001592021558 976714917 /nfs/dbraw/zinc/71/49/17/976714917.db2.gz FLSKEZFVLHUNTE-HRDYMLBCSA-N -1 0 344.383 3.585 20 0 EHADRM CC(C)c1nc(N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)cc(C(C)(C)C)n1 ZINC001592022552 976720212 /nfs/dbraw/zinc/72/02/12/976720212.db2.gz PCUVAIODPHEAHD-KUHUBIRLSA-N -1 0 331.460 3.731 20 0 EHADRM CC(C)c1nc(NC(=O)c2ncsc2C(C)C)sc1C(=O)[O-] ZINC001592030351 976735096 /nfs/dbraw/zinc/73/50/96/976735096.db2.gz MLBNPPBAZPZKIE-UHFFFAOYSA-N -1 0 339.442 3.797 20 0 EHADRM CC(C)c1nc(NC(=O)c2ncsc2C2CC2)sc1C(=O)[O-] ZINC001592030548 976737397 /nfs/dbraw/zinc/73/73/97/976737397.db2.gz UHEUIKZNIOUNRI-UHFFFAOYSA-N -1 0 337.426 3.551 20 0 EHADRM CC(C)c1ncc(CN(C)[C@H](C(=O)[O-])c2ccccc2Cl)cn1 ZINC001592034150 976750728 /nfs/dbraw/zinc/75/07/28/976750728.db2.gz UBFSCZKOLXFICA-HNNXBMFYSA-N -1 0 333.819 3.511 20 0 EHADRM CC(C)c1sc(NC(=O)c2cccc3cc[nH]c32)nc1C(=O)[O-] ZINC001592115208 976913861 /nfs/dbraw/zinc/91/38/61/976913861.db2.gz VIZPRPNHEVBTOL-UHFFFAOYSA-N -1 0 329.381 3.698 20 0 EHADRM CC(C)n1ccc(N[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)n1 ZINC001592142419 976987343 /nfs/dbraw/zinc/98/73/43/976987343.db2.gz AORYRVSSFOWXJR-ZDUSSCGKSA-N -1 0 327.306 3.721 20 0 EHADRM C[C@@H](/C=C\C(=O)[O-])NC(=O)C1(c2c(Cl)cccc2Cl)CCC1 ZINC001592191651 977135770 /nfs/dbraw/zinc/13/57/70/977135770.db2.gz BUFDDBUCFDTGGQ-GFVADAIESA-N -1 0 342.222 3.561 20 0 EHADRM C[C@@H](/C=C/C(=O)[O-])NC(=O)C1(c2c(Cl)cccc2Cl)CCC1 ZINC001592191647 977135795 /nfs/dbraw/zinc/13/57/95/977135795.db2.gz BUFDDBUCFDTGGQ-FGEFZZPRSA-N -1 0 342.222 3.561 20 0 EHADRM C[C@H](/C=C/C(=O)[O-])NC(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl ZINC001592191833 977138186 /nfs/dbraw/zinc/13/81/86/977138186.db2.gz LAQJKPGAGLLCIY-XVWDPPPNSA-N -1 0 347.720 3.518 20 0 EHADRM C[C@H](/C=C\C(=O)[O-])NC(=O)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC001592202163 977215878 /nfs/dbraw/zinc/21/58/78/977215878.db2.gz BVFQNWSBDJDTAS-CDWBCPPQSA-N -1 0 339.391 3.586 20 0 EHADRM C[C@H](/C=C\C(=O)[O-])NC(=O)c1cc(-c2ccccc2)ccc1Cl ZINC001592202354 977217792 /nfs/dbraw/zinc/21/77/92/977217792.db2.gz UHRHGTQWYAVIIX-MQGYJPLLSA-N -1 0 329.783 3.766 20 0 EHADRM C[C@@H](CC(=O)N[C@@](C)(Cc1ccc(F)cc1)C(=O)[O-])C1CCCCC1 ZINC001592243648 977468522 /nfs/dbraw/zinc/46/85/22/977468522.db2.gz ZDKSEKUDRPOCIJ-XOBRGWDASA-N -1 0 349.446 3.934 20 0 EHADRM C[C@@H](CC(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1)c1ccc(F)cc1 ZINC001592246844 977476658 /nfs/dbraw/zinc/47/66/58/977476658.db2.gz XQETXJFYIJZUMW-DJJJIMSYSA-N -1 0 335.419 3.859 20 0 EHADRM C[C@H](CC(=O)N[C@H](CC(=O)[O-])Cc1ccccc1)c1ccc(F)cc1 ZINC001592260238 977500763 /nfs/dbraw/zinc/50/07/63/977500763.db2.gz XEQJXJHPGDNDPL-KDOFPFPSSA-N -1 0 343.398 3.522 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(C(=O)[O-])s1)c1ccc(F)cc1F ZINC001592266993 977509989 /nfs/dbraw/zinc/50/99/89/977509989.db2.gz ANBYDLBPAANIJN-MRVPVSSYSA-N -1 0 325.336 3.857 20 0 EHADRM C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)Nc1cccc2ncccc21 ZINC001592274441 977548061 /nfs/dbraw/zinc/54/80/61/977548061.db2.gz OBXLFXJGMXAXKK-ZDUSSCGKSA-N -1 0 349.390 3.762 20 0 EHADRM Cc1nn(C)cc1/C=C(\CCC(=O)[O-])c1nc2ccccc2s1 ZINC000339427070 1014405760 /nfs/dbraw/zinc/40/57/60/1014405760.db2.gz DKJZSEJPVSTNGY-FMIVXFBMSA-N -1 0 327.409 3.744 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)CCC1CCCCCC1)c1cccnc1 ZINC001592280199 977566730 /nfs/dbraw/zinc/56/67/30/977566730.db2.gz AYDOQBGHOSGUCZ-IBGZPJMESA-N -1 0 332.444 3.638 20 0 EHADRM CSc1cc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])ccc1Cl ZINC000666114416 1032091616 /nfs/dbraw/zinc/09/16/16/1032091616.db2.gz XBTUOMXFJSBQNI-GHMZBOCLSA-N -1 0 325.817 3.667 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)Nc1ccc2[nH]c(CC3CCCCC3)nc2c1 ZINC001592361866 977851894 /nfs/dbraw/zinc/85/18/94/977851894.db2.gz HQVWGPKUYOHOLV-LBPRGKRZSA-N -1 0 343.427 3.735 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC001592371282 977892258 /nfs/dbraw/zinc/89/22/58/977892258.db2.gz QRAUIKWASFTHMR-OWLYRPNTSA-N -1 0 329.440 3.672 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)O[C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC001592394648 977945937 /nfs/dbraw/zinc/94/59/37/977945937.db2.gz DFCXJPWKNCBTAX-TVQRCGJNSA-N -1 0 346.301 3.617 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1nc2cc(C(F)(F)F)ccc2s1 ZINC001592396534 977959726 /nfs/dbraw/zinc/95/97/26/977959726.db2.gz VZHDMFSJUCKAMW-ZETCQYMHSA-N -1 0 346.330 3.755 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)OCc1cc(Cl)cc(Br)c1 ZINC001592402443 977969549 /nfs/dbraw/zinc/96/95/49/977969549.db2.gz OOOAODRWTXWQAY-QMMMGPOBSA-N -1 0 349.608 3.647 20 0 EHADRM C[C@H](CC(=O)OCc1cccc(C(=O)[O-])n1)Cc1ccc(Cl)cc1 ZINC001592434072 978071093 /nfs/dbraw/zinc/07/10/93/978071093.db2.gz SBKRCBVEIHZTEB-LBPRGKRZSA-N -1 0 347.798 3.745 20 0 EHADRM C[C@H](CC(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1)c1ccncc1 ZINC001592437913 978080925 /nfs/dbraw/zinc/08/09/25/978080925.db2.gz MYHXIMRASGANDI-CYBMUJFWSA-N -1 0 327.380 3.543 20 0 EHADRM C[C@@H](CC(C)(C)C)C(=O)N1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001592440308 978096865 /nfs/dbraw/zinc/09/68/65/978096865.db2.gz YEIOJUVPIUGVMT-NWDGAFQWSA-N -1 0 338.473 3.620 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)NCC(C)(C)CC(=O)[O-] ZINC001592451681 978138148 /nfs/dbraw/zinc/13/81/48/978138148.db2.gz FXUUBPJBRPGBGS-AWEZNQCLSA-N -1 0 334.460 3.543 20 0 EHADRM C[C@@H](CCCC(F)(F)F)NC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001592478108 978248744 /nfs/dbraw/zinc/24/87/44/978248744.db2.gz RKIHXVQBNWLIRW-QMMMGPOBSA-N -1 0 336.285 3.767 20 0 EHADRM C[C@H](CCC(C)(C)C)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001592478921 978255138 /nfs/dbraw/zinc/25/51/38/978255138.db2.gz XTXPZJSDBLAZTJ-SNVBAGLBSA-N -1 0 326.462 3.906 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(F)ccc2CO)cc1C(F)(F)F ZINC001211490423 1014481401 /nfs/dbraw/zinc/48/14/01/1014481401.db2.gz XLDVBJUIMCHDAQ-UHFFFAOYSA-N -1 0 329.249 3.779 20 0 EHADRM C[C@@H](CCc1ccco1)Nc1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001592552321 978439172 /nfs/dbraw/zinc/43/91/72/978439172.db2.gz USWDJABDHFQUPJ-VIFPVBQESA-N -1 0 328.290 3.825 20 0 EHADRM C[C@@H](CN(C)C(=O)NCc1ccc(C(=O)[O-])s1)C1CCCCC1 ZINC001592573937 978467148 /nfs/dbraw/zinc/46/71/48/978467148.db2.gz BRGSJWKLJYVUPG-LBPRGKRZSA-N -1 0 338.473 3.804 20 0 EHADRM Cc1cc(C(=O)[O-])c2sc(NC(=O)C=C3CCC(C)CC3)nc2n1 ZINC000738342593 978521900 /nfs/dbraw/zinc/52/19/00/978521900.db2.gz LRFILSGRJWMXJE-UHFFFAOYSA-N -1 0 345.424 3.773 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)c1ncccc1Br)C(=O)[O-] ZINC001592609794 978557950 /nfs/dbraw/zinc/55/79/50/978557950.db2.gz OFCVOZFMTCHRSF-LBPRGKRZSA-N -1 0 349.228 3.571 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)c1ccnc(C(C)(C)C)n1)C(=O)[O-] ZINC001592610079 978560073 /nfs/dbraw/zinc/56/00/73/978560073.db2.gz SGBZQVAJLIXJAX-AWEZNQCLSA-N -1 0 327.428 3.501 20 0 EHADRM C[C@@](CNC(=O)CCCC1CCCCC1)(C(=O)[O-])c1ccccc1 ZINC001592646396 978625703 /nfs/dbraw/zinc/62/57/03/978625703.db2.gz WGWJWEUBOOVQNL-FQEVSTJZSA-N -1 0 331.456 3.896 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)NCCCCCc2ccccc2)cc1 ZINC000739879720 978657706 /nfs/dbraw/zinc/65/77/06/978657706.db2.gz SPTYPONNYQWDFT-UHFFFAOYSA-N -1 0 340.423 3.848 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)NC2(c3cccc(Cl)c3)CC2)cc1 ZINC000739879103 978657737 /nfs/dbraw/zinc/65/77/37/978657737.db2.gz MIAHUAALPPAIQU-UHFFFAOYSA-N -1 0 344.798 3.778 20 0 EHADRM O=C([O-])NCCCC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000739965509 978661051 /nfs/dbraw/zinc/66/10/51/978661051.db2.gz WHKNMZXEPFXCBU-MRXNPFEDSA-N -1 0 338.835 3.735 20 0 EHADRM CCn1cc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)c2ccccc21 ZINC000746357538 978683131 /nfs/dbraw/zinc/68/31/31/978683131.db2.gz PZNWXBVHKGZDPI-UHFFFAOYSA-N -1 0 334.375 3.562 20 0 EHADRM O=C([O-])CCCC(=O)NCc1ccc(Oc2ccccc2F)c(F)c1 ZINC000753967303 978695434 /nfs/dbraw/zinc/69/54/34/978695434.db2.gz JCWJYILLIQMTEK-UHFFFAOYSA-N -1 0 349.333 3.628 20 0 EHADRM O=C([O-])c1ccc(CNCc2cc(C(F)(F)F)ccc2Cl)o1 ZINC000756285987 978697012 /nfs/dbraw/zinc/69/70/12/978697012.db2.gz RMZUBXSUGBGBTJ-UHFFFAOYSA-N -1 0 333.693 3.940 20 0 EHADRM COc1cc(-c2ccccc2)ccc1CNCc1ccc(C(=O)[O-])o1 ZINC000756285683 978697136 /nfs/dbraw/zinc/69/71/36/978697136.db2.gz MPOYUAMJKOUIDY-UHFFFAOYSA-N -1 0 337.375 3.943 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000762221162 978718984 /nfs/dbraw/zinc/71/89/84/978718984.db2.gz LETSMCPXNDHNEI-KPZWWZAWSA-N -1 0 333.359 3.644 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)C1(c2cccc(Cl)c2)CC1 ZINC000766842458 978726092 /nfs/dbraw/zinc/72/60/92/978726092.db2.gz BQPTWOYOIJFHPD-UHFFFAOYSA-N -1 0 341.794 3.659 20 0 EHADRM C/C(=C\C(=O)N[C@@H](CC(=O)[O-])c1cccs1)c1ccc(F)cc1 ZINC000766847380 978727706 /nfs/dbraw/zinc/72/77/06/978727706.db2.gz YTGDFKRQJZBMAT-MARXPDLDSA-N -1 0 333.384 3.623 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)CCc1cscn1 ZINC000766983267 978730802 /nfs/dbraw/zinc/73/08/02/978730802.db2.gz KEYFXNIDFLPWAX-UHFFFAOYSA-N -1 0 326.377 3.566 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)CCc1nccs1 ZINC000766984391 978731349 /nfs/dbraw/zinc/73/13/49/978731349.db2.gz YXJILVTUZJRWHB-UHFFFAOYSA-N -1 0 326.377 3.566 20 0 EHADRM CC[C@@H](NC(=O)CCc1ccccc1C(=O)[O-])c1ccccc1OC ZINC000777358694 978775751 /nfs/dbraw/zinc/77/57/51/978775751.db2.gz NXKSDUNFLPPUGR-QGZVFWFLSA-N -1 0 341.407 3.594 20 0 EHADRM C[C@H](CCNC(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccccc1 ZINC000811816985 978860731 /nfs/dbraw/zinc/86/07/31/978860731.db2.gz GZNQZVWEXUHJGM-GFCCVEGCSA-N -1 0 331.799 3.962 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccc(/C=C/C(=O)[O-])o3)C2)cc1 ZINC000826539138 978946459 /nfs/dbraw/zinc/94/64/59/978946459.db2.gz OQMHUWOLHCRANL-YBZQBRCDSA-N -1 0 339.391 3.704 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(CNC(=O)[O-])cc1)[C@H](C)c1ccccc1 ZINC000827672618 978963335 /nfs/dbraw/zinc/96/33/35/978963335.db2.gz VKRNKAHWTHNAJD-UONOGXRCSA-N -1 0 341.411 3.768 20 0 EHADRM Cc1ccc2cccc(C(=O)O[C@H](C(=O)[O-])c3ccccc3F)c2n1 ZINC000832961983 979061181 /nfs/dbraw/zinc/06/11/81/979061181.db2.gz MKDKMAQFBLPOAD-KRWDZBQOSA-N -1 0 339.322 3.665 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)c1ccccc1F ZINC000833168940 979104222 /nfs/dbraw/zinc/10/42/22/979104222.db2.gz GOYKSHKMJKKRPE-SQWLQELKSA-N -1 0 348.757 3.952 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)c1ccccc1F ZINC000833168938 979104229 /nfs/dbraw/zinc/10/42/29/979104229.db2.gz GOYKSHKMJKKRPE-OFQRWUPVSA-N -1 0 348.757 3.952 20 0 EHADRM CC(C)Oc1c(NC(=O)NC[C@@H](C)CC(F)F)cccc1C(=O)[O-] ZINC001592682886 979107213 /nfs/dbraw/zinc/10/72/13/979107213.db2.gz HMTMKCTYOPGHJQ-JTQLQIEISA-N -1 0 344.358 3.585 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NC[C@@H](C)c2ccc(F)cc2)cc1 ZINC001592682732 979107304 /nfs/dbraw/zinc/10/73/04/979107304.db2.gz RJAKWCMATOEZIZ-CHWSQXEVSA-N -1 0 344.386 3.939 20 0 EHADRM CC[C@@H](C)n1cc(-c2cc(C(=O)[O-])n(C(=O)OC(C)(C)C)c2)cn1 ZINC001595022676 979107995 /nfs/dbraw/zinc/10/79/95/979107995.db2.gz NBGKIFNGZVEMRY-LLVKDONJSA-N -1 0 333.388 3.804 20 0 EHADRM CC[C@@H](C)n1ncc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1C ZINC001595024165 979125413 /nfs/dbraw/zinc/12/54/13/979125413.db2.gz PQDZFMAILXUYOQ-SECBINFHSA-N -1 0 335.791 3.766 20 0 EHADRM CC[C@H](CC(F)(F)F)C(=O)N[C@H](CC(=O)[O-])c1cccc(C)c1 ZINC001595039960 979219064 /nfs/dbraw/zinc/21/90/64/979219064.db2.gz XYKPQNPZOQMSJQ-DGCLKSJQSA-N -1 0 331.334 3.606 20 0 EHADRM CC[C@H](CC(F)(F)F)C(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1 ZINC001595039965 979219328 /nfs/dbraw/zinc/21/93/28/979219328.db2.gz XYKPQNPZOQMSJQ-YPMHNXCESA-N -1 0 331.334 3.606 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1ccc(C(F)(F)F)nc1C ZINC001595049722 979274808 /nfs/dbraw/zinc/27/48/08/979274808.db2.gz ASJUULKUABHJRU-UHFFFAOYSA-N -1 0 347.337 3.564 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1cnc(C(F)(F)F)c(C)c1 ZINC001595050772 979280610 /nfs/dbraw/zinc/28/06/10/979280610.db2.gz YRSBSNXIOKNAPN-UHFFFAOYSA-N -1 0 347.337 3.564 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccnc(-c2ccccc2)c1)C(=O)[O-] ZINC001595071783 979343442 /nfs/dbraw/zinc/34/34/42/979343442.db2.gz NTVKHNZQNRDHLE-UHFFFAOYSA-N -1 0 341.411 3.761 20 0 EHADRM Cc1cc(C(=O)N[C@H](CC(=O)[O-])C2CC2)sc1-c1ccccc1 ZINC000848878229 979483576 /nfs/dbraw/zinc/48/35/76/979483576.db2.gz XASRNKVMSBINCH-CQSZACIVSA-N -1 0 329.421 3.707 20 0 EHADRM CCC1CCC(N(C(=O)c2ccc(/C=C/C(=O)[O-])o2)C2CC2)CC1 ZINC000851594089 979504357 /nfs/dbraw/zinc/50/43/57/979504357.db2.gz FZBJRUCXYOLHTO-ZRDIBKRKSA-N -1 0 331.412 3.951 20 0 EHADRM Cc1ccc(CN(C(=O)c2ccc(/C=C/C(=O)[O-])o2)C2CC2)cc1C ZINC000851595126 979507083 /nfs/dbraw/zinc/50/70/83/979507083.db2.gz MXZNDWMDPFFUFG-CSKARUKUSA-N -1 0 339.391 3.799 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC001595125662 979508991 /nfs/dbraw/zinc/50/89/91/979508991.db2.gz FSIRZFPBQLWLOW-BLLLJJGKSA-N -1 0 339.382 3.813 20 0 EHADRM Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2ccc(/C=C/C(=O)[O-])o2)c1 ZINC000851602558 979523751 /nfs/dbraw/zinc/52/37/51/979523751.db2.gz WRNCANIQYMASTC-VMSUTVGLSA-N -1 0 339.391 3.972 20 0 EHADRM Cc1cc(C)cc([C@H]2CCN(C(=O)c3ccc(/C=C\C(=O)[O-])o3)C2)c1 ZINC000851604095 979527267 /nfs/dbraw/zinc/52/72/67/979527267.db2.gz ZXHFHNKTOSHEQO-VOKGJARPSA-N -1 0 339.391 3.624 20 0 EHADRM CC[C@@H](CCc1ccccc1)NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001595129183 979532020 /nfs/dbraw/zinc/53/20/20/979532020.db2.gz FEJRZBAWWLBWCU-INIZCTEOSA-N -1 0 326.396 3.918 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N2CCCC3(CCCCC3)CC2)o1 ZINC000851607713 979533767 /nfs/dbraw/zinc/53/37/67/979533767.db2.gz RJKHPQDMZDNQQD-VURMDHGXSA-N -1 0 331.412 3.954 20 0 EHADRM Cc1cc([C@@H](NC(=O)c2ccc(/C=C/C(=O)[O-])o2)C2CC2)ccc1F ZINC000851609621 979537177 /nfs/dbraw/zinc/53/71/77/979537177.db2.gz XZNLGJZXSZOFBJ-YOCVDRLZSA-N -1 0 343.354 3.706 20 0 EHADRM C[C@H](CSCc1ccccc1)C(=O)N[C@H](CC(=O)[O-])C1CCCC1 ZINC001592825656 979544873 /nfs/dbraw/zinc/54/48/73/979544873.db2.gz KWVZLVRHQNVKQK-RHSMWYFYSA-N -1 0 349.496 3.706 20 0 EHADRM C[C@H](CSCc1ccccc1)C(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC001592825879 979546289 /nfs/dbraw/zinc/54/62/89/979546289.db2.gz MNNSYWSYXMWJMK-RHSMWYFYSA-N -1 0 349.496 3.706 20 0 EHADRM C[C@@H](CSc1ccc(F)cc1)C(=O)OC1CCC(C(=O)[O-])CC1 ZINC001592829786 979550097 /nfs/dbraw/zinc/55/00/97/979550097.db2.gz BKQMWOUSTTYEDK-DCBWTQNWSA-N -1 0 340.416 3.741 20 0 EHADRM CC(C)c1ccc(C[C@@H](C)NC(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC001592833119 979568662 /nfs/dbraw/zinc/56/86/62/979568662.db2.gz BBNBZHAKZLRQKD-CQSZACIVSA-N -1 0 325.408 3.869 20 0 EHADRM C[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCCC(=O)[O-] ZINC000852957580 979590153 /nfs/dbraw/zinc/59/01/53/979590153.db2.gz XHQKGIQJILAOLX-QGZVFWFLSA-N -1 0 339.435 3.901 20 0 EHADRM C[C@@](Cc1ccc(Cl)cc1)(NC(=O)[C@@H]1CC2CCC1CC2)C(=O)[O-] ZINC001592838937 979593100 /nfs/dbraw/zinc/59/31/00/979593100.db2.gz SDNQGHWQXZUBJW-RLFMMWCFSA-N -1 0 349.858 3.668 20 0 EHADRM C[C@@](Cc1ccc(Cl)cc1)(NC(=O)CC(C1CC1)C1CC1)C(=O)[O-] ZINC001592838946 979593198 /nfs/dbraw/zinc/59/31/98/979593198.db2.gz SGTDTIMQNLTAME-IBGZPJMESA-N -1 0 349.858 3.668 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001592839880 979601427 /nfs/dbraw/zinc/60/14/27/979601427.db2.gz REXDKZXFMIGUQZ-OANVXVOSSA-N -1 0 347.798 3.734 20 0 EHADRM C/C(=C/C(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-])c1cccs1 ZINC000856922407 979611725 /nfs/dbraw/zinc/61/17/25/979611725.db2.gz AJMAIDOWDSBNAD-QKXCFHHRSA-N -1 0 343.448 3.901 20 0 EHADRM CC/C(=C/C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1)c1ccc(C)cc1 ZINC000856994205 979621444 /nfs/dbraw/zinc/62/14/44/979621444.db2.gz TUEQRMIJZGUBTM-FNWMBBJUSA-N -1 0 344.436 3.821 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N(C)[C@H](C)c2ccccn2)cc1)C(=O)[O-] ZINC001592858727 979675770 /nfs/dbraw/zinc/67/57/70/979675770.db2.gz KJLCYLGLMNCCBM-ZIAGYGMSSA-N -1 0 341.411 3.570 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)CCCc2ccsc2)cc1)C(=O)[O-] ZINC001592858946 979678818 /nfs/dbraw/zinc/67/88/18/979678818.db2.gz NVRSZIBJBFVMAW-CYBMUJFWSA-N -1 0 331.437 3.973 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)[C@@H](C)OC2CCCCC2)cc1)C(=O)[O-] ZINC001592859034 979679494 /nfs/dbraw/zinc/67/94/94/979679494.db2.gz XRLDAVWNDTWTHQ-ZIAGYGMSSA-N -1 0 333.428 3.626 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N2CCC(F)(C3CC3)CC2)cc1)C(=O)[O-] ZINC001592860061 979687530 /nfs/dbraw/zinc/68/75/30/979687530.db2.gz DTZQJRJYBITSJO-ZDUSSCGKSA-N -1 0 348.418 3.696 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N2CC[C@@H]3CCCC[C@H]3C2)cc1)C(=O)[O-] ZINC001592860539 979691360 /nfs/dbraw/zinc/69/13/60/979691360.db2.gz JHSLMXKIUXIMSE-PVAVHDDUSA-N -1 0 344.455 3.994 20 0 EHADRM CC[C@](CNC(=O)c1csc(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC001595163066 979693132 /nfs/dbraw/zinc/69/31/32/979693132.db2.gz DZHVSOKSEQYUBP-MRXNPFEDSA-N -1 0 337.828 3.564 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N2CCCC(F)(F)CC2)cc1)C(=O)[O-] ZINC001592860859 979693884 /nfs/dbraw/zinc/69/38/84/979693884.db2.gz MJNSZBHVXMHXOW-LBPRGKRZSA-N -1 0 340.370 3.603 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)/C=C\c2cc(C(=O)[O-])co2)C1 ZINC000864111686 979702464 /nfs/dbraw/zinc/70/24/64/979702464.db2.gz LJFHONWBJJLJEI-PRQMKSPXSA-N -1 0 339.391 3.704 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)/C=C\c2cc(C(=O)[O-])co2)o1 ZINC000864112511 979704261 /nfs/dbraw/zinc/70/42/61/979704261.db2.gz ITTXXVBLWMKVMH-KUIJYHHPSA-N -1 0 343.379 3.892 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N[C@H]2CCCC3(CC3)C2)cc1)C(=O)[O-] ZINC001592865495 979706052 /nfs/dbraw/zinc/70/60/52/979706052.db2.gz CCRSDFGQIXVMGC-CJNGLKHVSA-N -1 0 330.428 3.794 20 0 EHADRM COc1cc(C)cc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1C ZINC000864120619 979716096 /nfs/dbraw/zinc/71/60/96/979716096.db2.gz ZJRMJRUJYBYELI-RDTXWAMCSA-N -1 0 341.407 3.504 20 0 EHADRM CCO[C@@H](C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)C1CCCC1 ZINC000864122809 979720185 /nfs/dbraw/zinc/72/01/85/979720185.db2.gz ZUDNDSLHHKDQNQ-CQSZACIVSA-N -1 0 325.792 3.572 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2ccoc2C(F)(F)F)cc1)C(=O)[O-] ZINC001592871868 979725531 /nfs/dbraw/zinc/72/55/31/979725531.db2.gz ANLUTLBHQQFXRM-VIFPVBQESA-N -1 0 341.285 3.814 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2c[nH]c(C(F)(F)F)c2)cc1)C(=O)[O-] ZINC001592872554 979730172 /nfs/dbraw/zinc/73/01/72/979730172.db2.gz IJARJOXOXWORFF-SECBINFHSA-N -1 0 340.301 3.549 20 0 EHADRM Cc1ccc(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)cc1C(=O)[O-] ZINC000864129625 979730488 /nfs/dbraw/zinc/73/04/88/979730488.db2.gz NFUULDQDSNDJCI-CJNGLKHVSA-N -1 0 341.382 3.851 20 0 EHADRM C[C@H](Cc1ccc(NCc2ccc(-c3cc[nH]n3)o2)cc1)C(=O)[O-] ZINC001592876641 979741084 /nfs/dbraw/zinc/74/10/84/979741084.db2.gz BGONTVCPLVMXNE-GFCCVEGCSA-N -1 0 325.368 3.545 20 0 EHADRM C[C@H](Cc1ccc(NCc2ccc(C(F)(F)F)cn2)cc1)C(=O)[O-] ZINC001592876861 979741813 /nfs/dbraw/zinc/74/18/13/979741813.db2.gz FHYRFYYDMZKVRA-LLVKDONJSA-N -1 0 338.329 3.976 20 0 EHADRM CCC(CC)(NC(=O)/C=C/c1csc(C(F)(F)F)c1)C(=O)[O-] ZINC000864139199 979743126 /nfs/dbraw/zinc/74/31/26/979743126.db2.gz IUDBHHHNZUVNHB-AATRIKPKSA-N -1 0 335.347 3.540 20 0 EHADRM C[C@H](Cc1ccc(NC[C@H]2C[C@]2(C)Br)cc1)C(=O)[O-] ZINC001592877300 979743241 /nfs/dbraw/zinc/74/32/41/979743241.db2.gz JHNYBNSKYLALNA-HCKVZZMMSA-N -1 0 326.234 3.535 20 0 EHADRM CC[C@](CNc1nc(C(C)(C)C)ns1)(C(=O)[O-])c1ccccc1 ZINC001595172907 979747639 /nfs/dbraw/zinc/74/76/39/979747639.db2.gz UECBSJWNHGGNDM-QGZVFWFLSA-N -1 0 333.457 3.680 20 0 EHADRM O=C([O-])c1coc(/C=C\C(=O)N(Cc2ccccc2F)CC2CC2)c1 ZINC000864154790 979766895 /nfs/dbraw/zinc/76/68/95/979766895.db2.gz MFMRGTFFQINYAU-FPLPWBNLSA-N -1 0 343.354 3.569 20 0 EHADRM O=C([O-])c1coc(/C=C/C(=O)N[C@H](C2CCCCC2)C(F)(F)F)c1 ZINC000864156721 979768273 /nfs/dbraw/zinc/76/82/73/979768273.db2.gz BBBBSWWVZCZNFP-PSKZRQQASA-N -1 0 345.317 3.618 20 0 EHADRM C[C@](Cc1ccccc1)(NC(=O)Nc1ccc(C(=O)[O-])s1)C1CC1 ZINC001592892070 979789057 /nfs/dbraw/zinc/78/90/57/979789057.db2.gz RVVNKZCKGFQFTF-GOSISDBHSA-N -1 0 344.436 3.979 20 0 EHADRM O=C([O-])C1=CC[C@@H](NC(=O)CCCc2cc(Cl)sc2Cl)C1 ZINC000864166215 979790299 /nfs/dbraw/zinc/79/02/99/979790299.db2.gz UHJOLTBKRQJZSZ-SNVBAGLBSA-N -1 0 348.251 3.667 20 0 EHADRM CC(C)(C)/C=C/C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC000864169783 979796997 /nfs/dbraw/zinc/79/69/97/979796997.db2.gz KEQMGRMGALGBOL-VOTSOKGWSA-N -1 0 327.327 3.570 20 0 EHADRM Cc1ccc(C(=O)NCC2(C(F)(F)F)CCCC2)cc1C(=O)[O-] ZINC000864178537 979824730 /nfs/dbraw/zinc/82/47/30/979824730.db2.gz CVZDWCAQFBDLFJ-UHFFFAOYSA-N -1 0 329.318 3.546 20 0 EHADRM CC[C@H](COC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1)C(=O)[O-] ZINC001595184180 979827114 /nfs/dbraw/zinc/82/71/14/979827114.db2.gz WZHJTUBPLHMJRK-SNVBAGLBSA-N -1 0 332.318 3.794 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NC[C@@]2(Cc3ccccc3)C=CCCC2)C1 ZINC000864189384 979839487 /nfs/dbraw/zinc/83/94/87/979839487.db2.gz OXTFCPRVMHDGAM-UEXGIBASSA-N -1 0 341.451 3.573 20 0 EHADRM O=C([O-])C12CCC(CC1)N2C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000864189440 979839816 /nfs/dbraw/zinc/83/98/16/979839816.db2.gz OGCIGLDKDWTYCE-UHFFFAOYSA-N -1 0 345.342 3.520 20 0 EHADRM Cc1ccc(C[C@]2(C)CCCN2C(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000864194754 979853460 /nfs/dbraw/zinc/85/34/60/979853460.db2.gz MFCLYFHAXGPDAA-FQEVSTJZSA-N -1 0 331.456 3.810 20 0 EHADRM Cc1ccc(C[C@@]2(C)CCCN2C(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000864194755 979853553 /nfs/dbraw/zinc/85/35/53/979853553.db2.gz MFCLYFHAXGPDAA-HXUWFJFHSA-N -1 0 331.456 3.810 20 0 EHADRM C[C@@H](Cc1cncc2ccccc21)C(=O)Oc1cccc(C(=O)[O-])c1 ZINC001592908528 979863452 /nfs/dbraw/zinc/86/34/52/979863452.db2.gz BPEPAYVCWKBCNU-ZDUSSCGKSA-N -1 0 335.359 3.717 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)Cc1ccc(-c2ccccc2)cc1)C1CC1 ZINC000864197625 979865789 /nfs/dbraw/zinc/86/57/89/979865789.db2.gz HWERXIUCSKFPNS-OAQYLSRUSA-N -1 0 337.419 3.656 20 0 EHADRM C[C@H](Cc1cncc2ccccc21)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001592908708 979866550 /nfs/dbraw/zinc/86/65/50/979866550.db2.gz HOLCYMFVXYNGHB-CQSZACIVSA-N -1 0 348.402 3.679 20 0 EHADRM C[C@H](CC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)[C@@H]1CCCO1 ZINC000864225364 979909717 /nfs/dbraw/zinc/90/97/17/979909717.db2.gz RORLPJIUSIKTPH-PXAZEXFGSA-N -1 0 327.380 3.682 20 0 EHADRM CC[C@@H]1CCCC[C@H]1OCC(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000864226975 979914621 /nfs/dbraw/zinc/91/46/21/979914621.db2.gz SKIWHMIYUGSKGZ-RVKKMQEKSA-N -1 0 345.439 3.577 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)C[C@H](C)c2ccc(F)cc2)c1 ZINC000864229508 979924318 /nfs/dbraw/zinc/92/43/18/979924318.db2.gz LXOOPSGBQLUCMJ-KBXCAEBGSA-N -1 0 343.398 3.960 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)[C@H]2CCCc3sccc32)c1 ZINC000864230406 979927928 /nfs/dbraw/zinc/92/79/28/979927928.db2.gz WVNRJTAOGOTZBK-HOTGVXAUSA-N -1 0 343.448 3.809 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)CC(C)(C)C(F)(F)F)c1 ZINC000864231694 979930136 /nfs/dbraw/zinc/93/01/36/979930136.db2.gz JFUNKLJXYZRPPE-LBPRGKRZSA-N -1 0 331.334 3.606 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001595212145 979996671 /nfs/dbraw/zinc/99/66/71/979996671.db2.gz XJXOCQXIEOSDST-OXQOHEQNSA-N -1 0 331.456 3.795 20 0 EHADRM CC[C@@H](Cc1ccc(F)cc1)NC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001595212219 979997622 /nfs/dbraw/zinc/99/76/22/979997622.db2.gz MYXYPRXPUJQHMZ-INIZCTEOSA-N -1 0 344.386 3.975 20 0 EHADRM CC(C)[C@H](C(=O)[O-])[S@](=O)Cc1csc(C2CCCCC2)n1 ZINC000579805246 1014622421 /nfs/dbraw/zinc/62/24/21/1014622421.db2.gz VVSSFHRYNROWBT-LRTDBIEQSA-N -1 0 329.487 3.549 20 0 EHADRM Cc1coc(-c2cc([N-]S(=O)(=O)c3cc(C)oc3C)ccc2C)n1 ZINC000182818082 1032098364 /nfs/dbraw/zinc/09/83/64/1032098364.db2.gz QKRZQKWTBCJXEF-UHFFFAOYSA-N -1 0 346.408 3.969 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2sccc2C(F)F)[C@@H]2CCCC[C@@H]12 ZINC000872733142 980124944 /nfs/dbraw/zinc/12/49/44/980124944.db2.gz ROJQYQBEOKJYAG-HOSYDEDBSA-N -1 0 343.395 3.791 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2sccc2C(F)F)[C@@H]2CCCC[C@H]12 ZINC000872733140 980124967 /nfs/dbraw/zinc/12/49/67/980124967.db2.gz ROJQYQBEOKJYAG-CKYFFXLPSA-N -1 0 343.395 3.791 20 0 EHADRM CC[C@](NC(=O)[C@@H]1CCC[C@H]2C[C@H]21)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595237738 980149490 /nfs/dbraw/zinc/14/94/90/980149490.db2.gz SFWYLNINLVVNLK-WMNQNFFBSA-N -1 0 335.831 3.582 20 0 EHADRM C[C@@H](C(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1)[C@@H](C)C(C)(C)C ZINC001592990809 980182775 /nfs/dbraw/zinc/18/27/75/980182775.db2.gz SLLBMOPJLSFTAD-MCIONIFRSA-N -1 0 335.444 3.646 20 0 EHADRM C[C@H](NC(=O)[C@H](F)CC1CCCCC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001592994087 980199641 /nfs/dbraw/zinc/19/96/41/980199641.db2.gz PBSDRLDKQPFTNA-JCGIZDLHSA-N -1 0 349.446 3.743 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)CC(C)(C)CC(F)(F)F ZINC000887326838 980218709 /nfs/dbraw/zinc/21/87/09/980218709.db2.gz OYRBHULLHZZUAX-UHFFFAOYSA-N -1 0 347.333 3.766 20 0 EHADRM CO[C@H]1CC[C@@H](C(=O)Nc2scc(-c3ccccc3)c2C(=O)[O-])C1 ZINC000887328338 980219951 /nfs/dbraw/zinc/21/99/51/980219951.db2.gz VCBDNGXZCRFVAT-OLZOCXBDSA-N -1 0 345.420 3.867 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cc(C3CC3)oc2C2CC2)C1 ZINC000899299358 980225749 /nfs/dbraw/zinc/22/57/49/980225749.db2.gz WLUMYEYHTJGHKP-LBPRGKRZSA-N -1 0 331.412 3.751 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])nc1)c1cc(C)ccc1C ZINC001595256745 980239421 /nfs/dbraw/zinc/23/94/21/980239421.db2.gz HEYCDNQLEMWLMJ-OAHLLOKOSA-N -1 0 327.384 3.669 20 0 EHADRM CCC(NC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1)(C1CC1)C1CC1 ZINC001595257377 980245993 /nfs/dbraw/zinc/24/59/93/980245993.db2.gz ROHCVJLCQSEMIN-UHFFFAOYSA-N -1 0 341.411 3.956 20 0 EHADRM CC[C@](NC(=O)OCCC(C)C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595257599 980247597 /nfs/dbraw/zinc/24/75/97/980247597.db2.gz FPPVFHVIAWIGLG-MRXNPFEDSA-N -1 0 327.808 3.802 20 0 EHADRM C[C@@H](NC(=O)CCCC(=O)[O-])c1ccc(-c2ccc(F)cc2)cc1 ZINC001593015090 980259567 /nfs/dbraw/zinc/25/95/67/980259567.db2.gz BUMKXIFBWNELMH-CYBMUJFWSA-N -1 0 329.371 3.925 20 0 EHADRM C[C@H](NC(=O)CC/C=C\c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001593015580 980262676 /nfs/dbraw/zinc/26/26/76/980262676.db2.gz OKCACQYPGFRDQR-LRAPTIAOSA-N -1 0 330.409 3.512 20 0 EHADRM CC[C@](NC(=O)c1cc2c(s1)CCCC2)(C(=O)[O-])c1ccccc1 ZINC001595265723 980276455 /nfs/dbraw/zinc/27/64/55/980276455.db2.gz AEPADGPGATWGED-LJQANCHMSA-N -1 0 343.448 3.747 20 0 EHADRM CC[C@](NC(=O)c1ccc(C)c2cccnc12)(C(=O)[O-])c1ccccc1 ZINC001595269253 980284766 /nfs/dbraw/zinc/28/47/66/980284766.db2.gz VVDCMGAVAXDRSY-OAQYLSRUSA-N -1 0 348.402 3.663 20 0 EHADRM CC[C@@](NC(=O)c1nc2ccccc2cc1C)(C(=O)[O-])c1ccccc1 ZINC001595276073 980298417 /nfs/dbraw/zinc/29/84/17/980298417.db2.gz CJUCSIVSDPMHNR-NRFANRHFSA-N -1 0 348.402 3.663 20 0 EHADRM C[C@](NC(=O)Cc1ccc(C2CCCCC2)cc1)(C(=O)[O-])C1CC1 ZINC001593040585 980325477 /nfs/dbraw/zinc/32/54/77/980325477.db2.gz UNAZABGARRZETG-HXUWFJFHSA-N -1 0 329.440 3.646 20 0 EHADRM CO[C@H](CNc1ccc(C(C)(C)C(=O)[O-])cc1)Cc1ccccc1 ZINC000901514605 980331296 /nfs/dbraw/zinc/33/12/96/980331296.db2.gz VPMHLIDBOYOGNT-SFHVURJKSA-N -1 0 327.424 3.718 20 0 EHADRM C[C@H](N[C@H](C(=O)[O-])c1ccc2c(c1)CCO2)c1cc2ccccc2o1 ZINC000901524876 980348375 /nfs/dbraw/zinc/34/83/75/980348375.db2.gz JAPZIPZVLATBHK-BUXKBTBVSA-N -1 0 337.375 3.844 20 0 EHADRM O=C([O-])Cc1ccc(CN[C@H](CCc2ccccc2)C(F)F)cc1 ZINC000901540512 980368607 /nfs/dbraw/zinc/36/86/07/980368607.db2.gz NVTIHVBQHXCJRK-QGZVFWFLSA-N -1 0 333.378 3.670 20 0 EHADRM CC[C@H](Nc1cc(C)cc(OCCO)c1)c1ccc(C(=O)[O-])cc1 ZINC001595316295 980482795 /nfs/dbraw/zinc/48/27/95/980482795.db2.gz CSGKWWQUGYAYKN-SFHVURJKSA-N -1 0 329.396 3.628 20 0 EHADRM CCCn1c(CNCc2ccc(C(=O)[O-])cc2F)nc2ccccc21 ZINC000901758397 980489826 /nfs/dbraw/zinc/48/98/26/980489826.db2.gz MBHPPEOBKKPPJA-UHFFFAOYSA-N -1 0 341.386 3.573 20 0 EHADRM C[C@@H](Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1)c1ccccn1 ZINC000901774060 980504653 /nfs/dbraw/zinc/50/46/53/980504653.db2.gz HHCHPHKFLNIJCT-CQSZACIVSA-N -1 0 325.412 3.943 20 0 EHADRM CC[C@H](Nc1cccnc1Cl)C(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001595323504 980524360 /nfs/dbraw/zinc/52/43/60/980524360.db2.gz VSZJAUQZKNAHFJ-ZDUSSCGKSA-N -1 0 347.802 3.571 20 0 EHADRM CCc1cnc(CN[C@@](CC)(C(=O)[O-])c2ccc(Cl)cc2)s1 ZINC000901874529 980589642 /nfs/dbraw/zinc/58/96/42/980589642.db2.gz YWZMJRDFKAZTIS-MRXNPFEDSA-N -1 0 338.860 3.839 20 0 EHADRM CC[C@@H](OC(=O)CCc1ccccc1C(=O)[O-])c1ccc(F)cn1 ZINC001595340079 980615819 /nfs/dbraw/zinc/61/58/19/980615819.db2.gz JTOSTVDLGBSUEW-MRXNPFEDSA-N -1 0 331.343 3.546 20 0 EHADRM CC[C@@H](OC(=O)CCc1nc(C)c(-c2ccccc2)o1)[C@@H](C)C(=O)[O-] ZINC001595340161 980616793 /nfs/dbraw/zinc/61/67/93/980616793.db2.gz KZTYKHHMZUIWTC-IUODEOHRSA-N -1 0 345.395 3.625 20 0 EHADRM CC[C@H](OC(=O)c1cc(C(=O)[O-])nn1C)c1ccc(C(C)(C)C)cc1 ZINC001595344823 980629221 /nfs/dbraw/zinc/62/92/21/980629221.db2.gz OPPBUNKXLVQSCK-INIZCTEOSA-N -1 0 344.411 3.724 20 0 EHADRM C[C@H]1CCN(Cc2cnc(-c3ccccc3F)s2)[C@@H](C(=O)[O-])C1 ZINC000902011505 980689930 /nfs/dbraw/zinc/68/99/30/980689930.db2.gz KCRZGFCULOLVGF-XHDPSFHLSA-N -1 0 334.416 3.634 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)Nc1c(F)cccc1C(=O)[O-] ZINC001595356752 980715324 /nfs/dbraw/zinc/71/53/24/980715324.db2.gz JZKYNQOVUDRQDS-CQSZACIVSA-N -1 0 331.343 3.628 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC001595358207 980729896 /nfs/dbraw/zinc/72/98/96/980729896.db2.gz FORWWKHYKZGRPH-DLBZAZTESA-N -1 0 343.448 3.842 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)N(CC(C)C)C(C)(C)C(=O)[O-] ZINC001595358665 980734497 /nfs/dbraw/zinc/73/44/97/980734497.db2.gz PHEORVBKJQUZJQ-HNNXBMFYSA-N -1 0 337.485 3.905 20 0 EHADRM CC(C)[C@@H](NCc1ccc(/C=C/C(=O)[O-])o1)c1nc2ccccc2[nH]1 ZINC000902141346 980753457 /nfs/dbraw/zinc/75/34/57/980753457.db2.gz ZTYCDPOLHBOBIB-QZEKMECESA-N -1 0 339.395 3.741 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001595361252 980760710 /nfs/dbraw/zinc/76/07/10/980760710.db2.gz GFDZTDMZDWTXCO-ZJPYXAASSA-N -1 0 329.440 3.877 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC001595361695 980764181 /nfs/dbraw/zinc/76/41/81/980764181.db2.gz MGCBYRHUEVIENW-FGTMMUONSA-N -1 0 329.440 3.877 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001595361892 980766433 /nfs/dbraw/zinc/76/64/33/980766433.db2.gz QXGSCKUAVNYXRP-MSOLQXFVSA-N -1 0 341.382 3.530 20 0 EHADRM Cc1c(NCc2ccoc2C(=O)[O-])cccc1OCC(F)(F)F ZINC000902215653 980786411 /nfs/dbraw/zinc/78/64/11/980786411.db2.gz WLSYXWYMFQHNIE-UHFFFAOYSA-N -1 0 329.274 3.839 20 0 EHADRM CC[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001595364521 980794680 /nfs/dbraw/zinc/79/46/80/980794680.db2.gz XGUCLQAOYPLNID-ZDUSSCGKSA-N -1 0 349.337 3.673 20 0 EHADRM CSc1cc(NCc2c(C)nn(CCC(=O)[O-])c2C)ccc1C ZINC000902329627 980835750 /nfs/dbraw/zinc/83/57/50/980835750.db2.gz ZPSJKNBWGUPRHP-UHFFFAOYSA-N -1 0 333.457 3.617 20 0 EHADRM C[C@@]1(C2CC2)CN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)CCO1 ZINC000902396334 980869654 /nfs/dbraw/zinc/86/96/54/980869654.db2.gz IXARBJZZFXNKFG-FQEVSTJZSA-N -1 0 341.407 3.646 20 0 EHADRM CCc1oc(CN[C@@H]2CCCOc3cc(F)ccc32)cc1C(=O)[O-] ZINC000902430975 980883464 /nfs/dbraw/zinc/88/34/64/980883464.db2.gz GGXYHBJJZJWYFS-OAHLLOKOSA-N -1 0 333.359 3.683 20 0 EHADRM CCC1(CC)CCc2nc(NC(=O)c3ccc(C(=O)[O-])[nH]3)sc2C1 ZINC001595375399 980895586 /nfs/dbraw/zinc/89/55/86/980895586.db2.gz IYMDDYVUGALBFM-UHFFFAOYSA-N -1 0 347.440 3.717 20 0 EHADRM CCc1oc(CN[C@H](CC)c2cc(F)ccc2OC)cc1C(=O)[O-] ZINC000902572561 980939058 /nfs/dbraw/zinc/93/90/58/980939058.db2.gz NIBADCDCAJUEIG-OAHLLOKOSA-N -1 0 335.375 3.929 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](F)CN1Cc1ccc(Oc2ccccc2)c(F)c1 ZINC000903616511 980994301 /nfs/dbraw/zinc/99/43/01/980994301.db2.gz GJPBTUXUQDFTEC-BBRMVZONSA-N -1 0 333.334 3.615 20 0 EHADRM CCC1CCC(N(C(=O)/C=C/c2ccc(C(=O)[O-])o2)C2CC2)CC1 ZINC001595415674 981029750 /nfs/dbraw/zinc/02/97/50/981029750.db2.gz JZIQQYIMEYUTJF-ZRDIBKRKSA-N -1 0 331.412 3.951 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C[C@@H]1CCC3(CCCCCC3)O1)C2 ZINC000903906418 981031132 /nfs/dbraw/zinc/03/11/32/981031132.db2.gz JNIJPUITDSVOTQ-SFHVURJKSA-N -1 0 329.440 3.972 20 0 EHADRM CC[C@@H]1CC[C@H](C(=O)Nc2sc3c(c2C(=O)[O-])CCCCC3)O1 ZINC001595416786 981033885 /nfs/dbraw/zinc/03/38/85/981033885.db2.gz YTGJTLWMNCFGIH-ZYHUDNBSSA-N -1 0 337.441 3.611 20 0 EHADRM CCC1CCC(NC(=O)CC[C@H]2CC2(Cl)Cl)(C(=O)[O-])CC1 ZINC001595420729 981037949 /nfs/dbraw/zinc/03/79/49/981037949.db2.gz GLKFRKRMSFCMQJ-CVZZAPKMSA-N -1 0 336.259 3.500 20 0 EHADRM CCC1CCC(NC(=O)[C@@H](C)CSc2ccccc2)(C(=O)[O-])CC1 ZINC001595420765 981038548 /nfs/dbraw/zinc/03/85/48/981038548.db2.gz ZBHJDFLNKFXYBG-XVTSOASTSA-N -1 0 349.496 3.955 20 0 EHADRM CC[C@H]1CCC[C@H](NC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)C1 ZINC001595431733 981054365 /nfs/dbraw/zinc/05/43/65/981054365.db2.gz DWHPSVNETSNPHK-RYUDHWBXSA-N -1 0 329.400 3.956 20 0 EHADRM CC[C@@H]1CCC[C@H](NC(=O)Nc2cc(C(=O)[O-])cnc2Cl)C1 ZINC001595432594 981058156 /nfs/dbraw/zinc/05/81/56/981058156.db2.gz VGBKMKYBMLVQDT-KOLCDFICSA-N -1 0 325.796 3.524 20 0 EHADRM CC[C@H]1CCCC[C@H]1CNC(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001595441805 981080574 /nfs/dbraw/zinc/08/05/74/981080574.db2.gz UEQCAIFGNXETBY-HOCLYGCPSA-N -1 0 344.455 3.669 20 0 EHADRM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1scc(C(=O)[O-])c1C ZINC001595448049 981096926 /nfs/dbraw/zinc/09/69/26/981096926.db2.gz LAZGGCCPBNHVCW-WCQYABFASA-N -1 0 325.430 3.679 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001595448673 981099962 /nfs/dbraw/zinc/09/99/62/981099962.db2.gz STBUOZHVYPPIAE-VCBZYWHSSA-N -1 0 339.476 3.512 20 0 EHADRM CC[C@H]1CCC[C@@H]1CNC(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001595452213 981112951 /nfs/dbraw/zinc/11/29/51/981112951.db2.gz GWFWPPKYMFLUSM-GXTWGEPZSA-N -1 0 341.411 3.881 20 0 EHADRM CC[C@@H]1CCC[C@H]1NC(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001595452716 981115595 /nfs/dbraw/zinc/11/55/95/981115595.db2.gz JABHVUWHWCQXLP-TZMCWYRMSA-N -1 0 334.416 3.872 20 0 EHADRM Cc1cc([C@H](C)NC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c(C)s1 ZINC000907559705 981190105 /nfs/dbraw/zinc/19/01/05/981190105.db2.gz VVJPQWGXDFUIBT-MOFZMDFASA-N -1 0 343.448 3.801 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1cc(C2CC2)oc1C1CC1 ZINC000907586081 981197022 /nfs/dbraw/zinc/19/70/22/981197022.db2.gz VFTMBYOGAZNEQF-UHFFFAOYSA-N -1 0 325.364 3.914 20 0 EHADRM CC(C)Cc1ccc(C(=O)N[C@H](C)c2ncc(C(=O)[O-])s2)s1 ZINC000907731129 981211970 /nfs/dbraw/zinc/21/19/70/981211970.db2.gz NOOCTRCUOLTTHA-SECBINFHSA-N -1 0 338.454 3.592 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1cccc(C)c1OCc1ccccc1 ZINC000907973409 981247961 /nfs/dbraw/zinc/24/79/61/981247961.db2.gz ZUUNWQCKQQORQV-OAHLLOKOSA-N -1 0 327.380 3.623 20 0 EHADRM O=C([O-])C1CC2(C1)C[C@H](NC(=O)C1CCCCCCC1)CCS2 ZINC000908167348 981276219 /nfs/dbraw/zinc/27/62/19/981276219.db2.gz UUAHGQUUWJXCOQ-SWKXRBFHSA-N -1 0 339.501 3.592 20 0 EHADRM CC[C@@H]1c2ccccc2CN1C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001595503829 981277069 /nfs/dbraw/zinc/27/70/69/981277069.db2.gz DFRGJCGPNLRSNO-ZWNOBZJWSA-N -1 0 345.424 3.579 20 0 EHADRM CC[C@@H]1c2ccsc2CCN1C(=O)NCCCCCCC(=O)[O-] ZINC001595504853 981279753 /nfs/dbraw/zinc/27/97/53/981279753.db2.gz QKMAUJWIAHZCQD-CQSZACIVSA-N -1 0 338.473 3.802 20 0 EHADRM Cc1cc(C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])c(C(F)(F)F)o1 ZINC000908289415 981297051 /nfs/dbraw/zinc/29/70/51/981297051.db2.gz IRVAABMAIZAZSL-LLVKDONJSA-N -1 0 347.333 3.618 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908341384 981305179 /nfs/dbraw/zinc/30/51/79/981305179.db2.gz ASSXVQDJJQHFQK-HNNXBMFYSA-N -1 0 349.496 3.850 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1OC ZINC000908508676 981320779 /nfs/dbraw/zinc/32/07/79/981320779.db2.gz XGUZFHXHZZNYRF-GFCCVEGCSA-N -1 0 343.379 3.534 20 0 EHADRM Cc1cc2scc(CC(=O)N3CCC4(C[C@H]4C(=O)[O-])CC3)c2s1 ZINC000908658406 981336188 /nfs/dbraw/zinc/33/61/88/981336188.db2.gz BGPVYVIQRIYANF-LBPRGKRZSA-N -1 0 349.477 3.527 20 0 EHADRM O=C([O-])C12CCC(C(=O)Nc3cccc(OC(F)F)c3)(CC1)CC2 ZINC000908713408 981345140 /nfs/dbraw/zinc/34/51/40/981345140.db2.gz SBHXNFDLHQOTNY-UHFFFAOYSA-N -1 0 339.338 3.652 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000908728877 981349190 /nfs/dbraw/zinc/34/91/90/981349190.db2.gz CWJCSMOJNPDTNK-QGZVFWFLSA-N -1 0 339.391 3.589 20 0 EHADRM CC[C@H](NC(=O)C12CCC(C(=O)[O-])(CC1)C2)c1ccc(F)cc1F ZINC000908817518 981368174 /nfs/dbraw/zinc/36/81/74/981368174.db2.gz RODOBBVTLWOODY-NNGSBXSVSA-N -1 0 337.366 3.567 20 0 EHADRM CCC[C@@H](C(=O)N(CCC(=O)[O-])C(C)C)c1cccc(Cl)c1 ZINC001595531834 981368288 /nfs/dbraw/zinc/36/82/88/981368288.db2.gz AFWUICQNOZYSFP-OAHLLOKOSA-N -1 0 325.836 3.935 20 0 EHADRM CCC[C@@H](C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC001595536368 981382480 /nfs/dbraw/zinc/38/24/80/981382480.db2.gz XQXXKLOLXCHCHP-RBUKOAKNSA-N -1 0 339.435 3.773 20 0 EHADRM CCC[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1OC)c1ccccc1 ZINC001595536752 981384399 /nfs/dbraw/zinc/38/43/99/981384399.db2.gz DAPIZNGVOWKYEC-HNNXBMFYSA-N -1 0 327.380 3.916 20 0 EHADRM CCC[C@@H](C(=O)Nc1cc(C(F)(F)F)cnc1C(=O)[O-])C(C)C ZINC001595537793 981388278 /nfs/dbraw/zinc/38/82/78/981388278.db2.gz NLXMSVAEHLZQRR-SNVBAGLBSA-N -1 0 332.322 3.809 20 0 EHADRM CCC[C@@](C)(NC(=O)c1cccc(N[C@H](C)C(C)C)c1C)C(=O)[O-] ZINC001595554289 981436014 /nfs/dbraw/zinc/43/60/14/981436014.db2.gz YEDCAJWAEARYDK-AUUYWEPGSA-N -1 0 334.460 3.825 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)c2cscc2C(F)F)C(=O)[O-])cc1 ZINC000909251312 981444999 /nfs/dbraw/zinc/44/49/99/981444999.db2.gz FVTLXDWCFBPBIB-LLVKDONJSA-N -1 0 339.363 3.592 20 0 EHADRM CCC/C(C)=C\C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001595564920 981453926 /nfs/dbraw/zinc/45/39/26/981453926.db2.gz CKRVHUCPOGFMOA-YFHOEESVSA-N -1 0 327.327 3.714 20 0 EHADRM CC(C)(C)OC1CC(CC(=O)Nc2ccc(CCC(=O)[O-])cc2)C1 ZINC000909285517 981459102 /nfs/dbraw/zinc/45/91/02/981459102.db2.gz GMWPRTXISCFLNA-UHFFFAOYSA-N -1 0 333.428 3.626 20 0 EHADRM CC(=O)c1cc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)ccc1C ZINC000909289026 981460901 /nfs/dbraw/zinc/46/09/01/981460901.db2.gz ZJGGZLJQSTVULF-UHFFFAOYSA-N -1 0 339.391 3.812 20 0 EHADRM CCC[C@H](C)CC(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001595571506 981479362 /nfs/dbraw/zinc/47/93/62/981479362.db2.gz RVAJUWLPHGLBLC-YVEFUNNKSA-N -1 0 325.836 3.668 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)C1 ZINC000909490195 981508032 /nfs/dbraw/zinc/50/80/32/981508032.db2.gz INZCLHDSFBGEJM-VVLHAWIVSA-N -1 0 335.488 3.942 20 0 EHADRM CCC[C@@H](C)c1noc(-c2ccc(OCC(=O)[O-])c(OCC)c2)n1 ZINC001595580058 981513390 /nfs/dbraw/zinc/51/33/90/981513390.db2.gz XQVYBWAFOAVBCF-LLVKDONJSA-N -1 0 334.372 3.502 20 0 EHADRM COc1ccc(C(=O)Nc2cccc(CCC(=O)[O-])c2)cc1C1CC1 ZINC000909509692 981517358 /nfs/dbraw/zinc/51/73/58/981517358.db2.gz BOUSFDNQYWBHHE-UHFFFAOYSA-N -1 0 339.391 3.842 20 0 EHADRM CCC[C@@H](CC)C(=O)N(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001595585866 981527280 /nfs/dbraw/zinc/52/72/80/981527280.db2.gz GWLAHFSAHZCMNF-YMTOWFKASA-N -1 0 331.334 3.514 20 0 EHADRM CCC[C@H](CC)C(=O)N[C@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001595586210 981530653 /nfs/dbraw/zinc/53/06/53/981530653.db2.gz SBUWZZMHJZXVJR-QILLFSRXSA-N -1 0 331.456 3.892 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N(C)[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000909548985 981538583 /nfs/dbraw/zinc/53/85/83/981538583.db2.gz KGBFGRNFHDJFOJ-JSGCOSHPSA-N -1 0 346.452 3.749 20 0 EHADRM CC(C)c1ccc2occ(C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])c2c1 ZINC000909672359 981566386 /nfs/dbraw/zinc/56/63/86/981566386.db2.gz UNMLQNQCCMHBJR-LBPRGKRZSA-N -1 0 343.301 3.692 20 0 EHADRM CCC[C@H](NC(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC001595599392 981571753 /nfs/dbraw/zinc/57/17/53/981571753.db2.gz ACAGPBHOKJUGFS-KRWDZBQOSA-N -1 0 326.396 3.977 20 0 EHADRM CCC[C@H](NC(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001595599872 981575029 /nfs/dbraw/zinc/57/50/29/981575029.db2.gz GZOSOIHIRUCCGQ-SFHVURJKSA-N -1 0 340.423 3.768 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3CCc4cc(Cl)ccc4C3)(CC1)CC2 ZINC000909726182 981581400 /nfs/dbraw/zinc/58/14/00/981581400.db2.gz YXIISUCHOVOANB-UHFFFAOYSA-N -1 0 347.842 3.650 20 0 EHADRM CCC[C@@H](NC(=O)Nc1cc(C(=O)[O-])cnc1Cl)C1CCCC1 ZINC001595600719 981582770 /nfs/dbraw/zinc/58/27/70/981582770.db2.gz WAIQQWCRHCGGLY-GFCCVEGCSA-N -1 0 339.823 3.914 20 0 EHADRM CC[C@@](O)(CC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1)c1ccccc1 ZINC000909831730 981648843 /nfs/dbraw/zinc/64/88/43/981648843.db2.gz CTYZNJCSGDYFQK-VBKZILBWSA-N -1 0 341.407 3.501 20 0 EHADRM CC(C)[C@H]1C[C@@H](CC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)CCO1 ZINC000909831193 981648868 /nfs/dbraw/zinc/64/88/68/981648868.db2.gz NTUNPVNVAQVTFX-GRDNDAEWSA-N -1 0 333.428 3.655 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)CCSCc2ccccn2)c1 ZINC000909832736 981650437 /nfs/dbraw/zinc/65/04/37/981650437.db2.gz GDZXFJMEXJTHES-CYBMUJFWSA-N -1 0 344.436 3.532 20 0 EHADRM C[C@H](c1ccc(C(=O)N2CCC[C@](C)(C(=O)[O-])C2)cc1)C(F)(F)F ZINC000909841563 981663113 /nfs/dbraw/zinc/66/31/13/981663113.db2.gz JKSDEBCKLHMZFW-BZNIZROVSA-N -1 0 343.345 3.679 20 0 EHADRM CCC[C@H]1[C@H](C)CCCN1C(=O)Nc1cccc(C(=O)[O-])c1OC ZINC001595619403 981676781 /nfs/dbraw/zinc/67/67/81/981676781.db2.gz CPHFLTRUSPLFLU-DOMZBBRYSA-N -1 0 334.416 3.826 20 0 EHADRM CCC[C@@H]1CCC[C@@H]1C(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)[O-] ZINC001595621056 981695850 /nfs/dbraw/zinc/69/58/50/981695850.db2.gz AYXTVXFKVBNZJM-KURKYZTESA-N -1 0 331.456 3.571 20 0 EHADRM CCC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595621095 981696608 /nfs/dbraw/zinc/69/66/08/981696608.db2.gz BTQXSAZPJWVSCJ-QJPTWQEYSA-N -1 0 339.461 3.560 20 0 EHADRM Cc1nc(-c2ccc(C(=O)N(CC(=O)[O-])C3CCCC3)cc2)cs1 ZINC000910062932 981750371 /nfs/dbraw/zinc/75/03/71/981750371.db2.gz VMMRDPZZWWYWHB-UHFFFAOYSA-N -1 0 344.436 3.588 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)/C=C(\C)c1cccc(OC)c1 ZINC001594780825 981785155 /nfs/dbraw/zinc/78/51/55/981785155.db2.gz HUYBGRWDRMDRHU-RDPWEWGOSA-N -1 0 345.439 3.590 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@H](C)c1ccc(Cl)cc1 ZINC001594782162 981789606 /nfs/dbraw/zinc/78/96/06/981789606.db2.gz ODVFIHLQXMBZON-KZULUSFZSA-N -1 0 337.847 3.935 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)CCOc1ccc(C)cc1C ZINC001594783082 981793024 /nfs/dbraw/zinc/79/30/24/981793024.db2.gz UXIATBIDXAGJGB-FQEVSTJZSA-N -1 0 347.455 3.564 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)/C=C/c1ccc(Cl)cc1 ZINC001594783391 981794666 /nfs/dbraw/zinc/79/46/66/981794666.db2.gz WXJPCZQQJNGAES-VEGGFIAOSA-N -1 0 335.831 3.845 20 0 EHADRM CCCC[C@@H](CC)CNS(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001595633030 981864413 /nfs/dbraw/zinc/86/44/13/981864413.db2.gz ZURRDUOOTQYSMW-LLVKDONJSA-N -1 0 347.864 3.533 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(NCc3ncc(C)cc3C)c12 ZINC000910332734 981874965 /nfs/dbraw/zinc/87/49/65/981874965.db2.gz AQKWLGRXXSHVRV-UHFFFAOYSA-N -1 0 342.424 3.630 20 0 EHADRM CCCC[C@@H](NC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1)C1CCC1 ZINC001595635861 981909240 /nfs/dbraw/zinc/90/92/40/981909240.db2.gz NWQPEHSDZYTDAO-ZYHUDNBSSA-N -1 0 339.461 3.560 20 0 EHADRM CCCC[C@H](NC(=O)c1ccc(Oc2ccc(C)cn2)cc1)C(=O)[O-] ZINC001595636830 981922715 /nfs/dbraw/zinc/92/27/15/981922715.db2.gz UDSXZOZJXISRCN-INIZCTEOSA-N -1 0 342.395 3.556 20 0 EHADRM CCC(C)(C)OCc1cccc(NC(=O)NC[C@H]2C[C@H]2C(=O)[O-])c1C ZINC001594814415 981938035 /nfs/dbraw/zinc/93/80/35/981938035.db2.gz MOLPVXVIIKKRPD-HUUCEWRRSA-N -1 0 348.443 3.542 20 0 EHADRM Cc1ccc(N(CC2CC2)C(=O)c2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC000910537783 981987120 /nfs/dbraw/zinc/98/71/20/981987120.db2.gz AJVTWTIRPMWKGG-PKNBQFBNSA-N -1 0 325.364 3.743 20 0 EHADRM CCCC[C@H](Nc1ccc(OCc2ccccn2)c(F)c1)C(=O)[O-] ZINC001595645383 981989219 /nfs/dbraw/zinc/98/92/19/981989219.db2.gz JBTHMKQPDACPOD-INIZCTEOSA-N -1 0 332.375 3.855 20 0 EHADRM CCCC[C@@H](S[C@@H](C)C(=O)Nc1ccc(F)cc1F)C(=O)[O-] ZINC001595651115 982017606 /nfs/dbraw/zinc/01/76/06/982017606.db2.gz BZULKRQCYIHQJY-TVQRCGJNSA-N -1 0 331.384 3.668 20 0 EHADRM CCCC[C@@H](OC(=O)c1csc(-c2ccc(C)cc2)n1)C(=O)[O-] ZINC001595652178 982031490 /nfs/dbraw/zinc/03/14/90/982031490.db2.gz PPFHPSJFSDCLGF-CQSZACIVSA-N -1 0 333.409 3.919 20 0 EHADRM O=C([O-])c1cccc(Cc2cnc(NC(=O)C3CC4(CC4)C3)s2)c1 ZINC000910634991 982034933 /nfs/dbraw/zinc/03/49/33/982034933.db2.gz ROXSYBOWPDHMEF-UHFFFAOYSA-N -1 0 342.420 3.561 20 0 EHADRM CC[C@@](C)(NC(=O)CCCOc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001594836699 982040315 /nfs/dbraw/zinc/04/03/15/982040315.db2.gz FDDCWEUUKAVFKK-LJQANCHMSA-N -1 0 335.444 3.513 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1C1CC1 ZINC000910649424 982041316 /nfs/dbraw/zinc/04/13/16/982041316.db2.gz XBTXGTJFFDVXMO-IACUBPJLSA-N -1 0 333.432 3.561 20 0 EHADRM CCCC[C@H](SCC(=O)N[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001595655020 982042599 /nfs/dbraw/zinc/04/25/99/982042599.db2.gz HDVMDFYTZGPIQF-CVEARBPZSA-N -1 0 335.469 3.557 20 0 EHADRM CCCCn1ncc(NC(=O)c2cc(C(=O)[O-])oc2C)c1C(C)C ZINC000910656226 982043610 /nfs/dbraw/zinc/04/36/10/982043610.db2.gz IZKTYXGMOKWLPI-UHFFFAOYSA-N -1 0 333.388 3.659 20 0 EHADRM CCCCn1ncc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1C(C)C ZINC000910654881 982043993 /nfs/dbraw/zinc/04/39/93/982043993.db2.gz DMDPCHFEVPHYEJ-KGLIPLIRSA-N -1 0 335.448 3.636 20 0 EHADRM Cc1cc(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)nn1C1CCCCC1 ZINC000910665707 982047444 /nfs/dbraw/zinc/04/74/44/982047444.db2.gz OCIVNEVTFNNPIS-UHFFFAOYSA-N -1 0 345.443 3.670 20 0 EHADRM CC1(C)CCc2sc(NC(=O)CCc3ccccc3C(=O)[O-])nc21 ZINC000910678525 982052994 /nfs/dbraw/zinc/05/29/94/982052994.db2.gz FEHKSBGMMQYMNZ-UHFFFAOYSA-N -1 0 344.436 3.636 20 0 EHADRM CCCC[C@H](Sc1ccc(C(=O)[O-])cc1)C(=O)Nc1cc(C)on1 ZINC001595657041 982058666 /nfs/dbraw/zinc/05/86/66/982058666.db2.gz HILALPDUUPJBCB-AWEZNQCLSA-N -1 0 348.424 3.971 20 0 EHADRM Cc1cc(F)cc(C)c1C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC000910706297 982075552 /nfs/dbraw/zinc/07/55/52/982075552.db2.gz RIVRNOQHUNWFLU-UHFFFAOYSA-N -1 0 336.388 3.973 20 0 EHADRM CCCCCC(C)(C)C(=O)N1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC001595662358 982077967 /nfs/dbraw/zinc/07/79/67/982077967.db2.gz AXQBODYWZUAWPF-UHFFFAOYSA-N -1 0 347.455 3.885 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)[C@H](C)c2ccccc2)nc1C(=O)[O-] ZINC000910718215 982080035 /nfs/dbraw/zinc/08/00/35/982080035.db2.gz KJYXITUABNTISZ-RISCZKNCSA-N -1 0 344.436 3.617 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)c2ccc(C)c(F)c2)nc1C(=O)[O-] ZINC000910721866 982085393 /nfs/dbraw/zinc/08/53/93/982085393.db2.gz NTFSAJBSKHXLMX-ZDUSSCGKSA-N -1 0 348.399 3.575 20 0 EHADRM C/C(=C\C(C)(C)C)C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910723784 982086849 /nfs/dbraw/zinc/08/68/49/982086849.db2.gz OYCMEORFFZFXMF-BZYZDCJZSA-N -1 0 336.457 3.806 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)CC2=CCCCC2)nc1C(=O)[O-] ZINC000910731000 982093043 /nfs/dbraw/zinc/09/30/43/982093043.db2.gz LXZZWNNVQXZSOX-CYBMUJFWSA-N -1 0 334.441 3.704 20 0 EHADRM CC(C)(C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)c1ccccc1 ZINC000910733910 982096276 /nfs/dbraw/zinc/09/62/76/982096276.db2.gz FLYJBHWMDMZLLJ-UHFFFAOYSA-N -1 0 330.409 3.635 20 0 EHADRM O=C([O-])c1nc(NC(=O)c2sccc2C(F)F)sc1C1CC1 ZINC000910738830 982099074 /nfs/dbraw/zinc/09/90/74/982099074.db2.gz DUIJOKZERRLNOK-UHFFFAOYSA-N -1 0 344.364 3.970 20 0 EHADRM COc1c(C)cc(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)cc1C ZINC000910742412 982106463 /nfs/dbraw/zinc/10/64/63/982106463.db2.gz HYKQBCVSUWUYQC-UHFFFAOYSA-N -1 0 346.408 3.596 20 0 EHADRM CCCCC[C@@H](NC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001595669367 982113151 /nfs/dbraw/zinc/11/31/51/982113151.db2.gz HKENFKNONDONDP-SMDDNHRTSA-N -1 0 345.361 3.959 20 0 EHADRM CCCCC[C@@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001595671981 982128577 /nfs/dbraw/zinc/12/85/77/982128577.db2.gz AKSDTMPZZSDKAJ-CYBMUJFWSA-N -1 0 332.227 3.686 20 0 EHADRM CCCCC[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C)c1ccccc1 ZINC001595673280 982140799 /nfs/dbraw/zinc/14/07/99/982140799.db2.gz VBMRIBVRYVMJOU-UAGQMJEPSA-N -1 0 332.444 3.813 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N(Cc2cccc(F)c2)C2CCC2)c1 ZINC000910952525 982175558 /nfs/dbraw/zinc/17/55/58/982175558.db2.gz WTPLPNLVTWNPKM-UHFFFAOYSA-N -1 0 341.382 3.648 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)/C=C\c2cc(C(=O)[O-])co2)c1 ZINC000911082651 982229543 /nfs/dbraw/zinc/22/95/43/982229543.db2.gz MEKDYSJMHFEKDI-FPLPWBNLSA-N -1 0 343.379 3.945 20 0 EHADRM O=C([O-])c1cccc(CC(=O)Nc2ccccc2N2CCCCC2)c1 ZINC000911092401 982231490 /nfs/dbraw/zinc/23/14/90/982231490.db2.gz PBOCEGMIWYEHPY-UHFFFAOYSA-N -1 0 338.407 3.556 20 0 EHADRM CC[C@H](C)[C@H](C)N(C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)C1CC1 ZINC001594882521 982248350 /nfs/dbraw/zinc/24/83/50/982248350.db2.gz YAMCIJSMFGBUCS-DCAQKATOSA-N -1 0 339.461 3.511 20 0 EHADRM CCCCCC[C@@H](C)NC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595698798 982254233 /nfs/dbraw/zinc/25/42/33/982254233.db2.gz VCWVQKJWZUXQLO-MNOVXSKESA-N -1 0 327.450 3.560 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)CCCc1ccc(CC(C)C)cc1)C(=O)[O-] ZINC001594886715 982266163 /nfs/dbraw/zinc/26/61/63/982266163.db2.gz BMXKOYBOEGRQBH-KXBFYZLASA-N -1 0 333.472 3.823 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)CCc1ccc(F)c2ccccc12)C(=O)[O-] ZINC001594887784 982275747 /nfs/dbraw/zinc/27/57/47/982275747.db2.gz VAGOPPPNKLLVSP-SGTLLEGYSA-N -1 0 331.387 3.527 20 0 EHADRM CCCCCCc1ccc(C(=O)Cn2nc(C(=O)[O-])nc2Cl)cc1 ZINC001595714598 982309800 /nfs/dbraw/zinc/30/98/00/982309800.db2.gz GDCVCEGLTYCPSB-UHFFFAOYSA-N -1 0 349.818 3.635 20 0 EHADRM CCCCCN(CCCOC)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC001595716271 982320972 /nfs/dbraw/zinc/32/09/72/982320972.db2.gz VHKXWVHTXBNRKD-UHFFFAOYSA-N -1 0 336.432 3.754 20 0 EHADRM CCc1cccc(C)c1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000002465235 1014835616 /nfs/dbraw/zinc/83/56/16/1014835616.db2.gz FYRUNHOIFGQTRN-UHFFFAOYSA-N -1 0 326.421 3.906 20 0 EHADRM CCCCN(C(=O)CCc1ccc(C(=O)[O-])cc1)c1ccccn1 ZINC001595731944 982365904 /nfs/dbraw/zinc/36/59/04/982365904.db2.gz LOMHSOMLKGNVTM-UHFFFAOYSA-N -1 0 326.396 3.546 20 0 EHADRM CCCCN(C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C)C1CC1 ZINC001595731991 982365955 /nfs/dbraw/zinc/36/59/55/982365955.db2.gz NHAPWUUXOVIMFE-UHFFFAOYSA-N -1 0 334.416 3.968 20 0 EHADRM CCCCN(C(=O)c1cccc(OCC(=O)[O-])c1)[C@@H]1CCC[C@@H](C)C1 ZINC001595736176 982383232 /nfs/dbraw/zinc/38/32/32/982383232.db2.gz XSJIYYOXWKVIIO-NVXWUHKLSA-N -1 0 347.455 3.971 20 0 EHADRM CCCCN(C)c1ccc(C(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])cc1 ZINC001595740265 982394612 /nfs/dbraw/zinc/39/46/12/982394612.db2.gz CVQYBLUYHLMQRM-XLIONFOSSA-N -1 0 346.471 3.686 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)c1oc2ccccc2c1CSC)C(=O)[O-] ZINC001594911657 982417447 /nfs/dbraw/zinc/41/74/47/982417447.db2.gz CDOQKVWKUNFOBS-YGRLFVJLSA-N -1 0 335.425 3.525 20 0 EHADRM CCCCN(Cc1ccccc1Cl)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001595749090 982420025 /nfs/dbraw/zinc/42/00/25/982420025.db2.gz GGICDDHAUDDVGQ-UONOGXRCSA-N -1 0 337.847 3.970 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)[O-] ZINC001594912779 982425521 /nfs/dbraw/zinc/42/55/21/982425521.db2.gz UJLFONLVHKQRPE-WRWORJQWSA-N -1 0 337.725 3.588 20 0 EHADRM CCCCNC(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC001595758305 982460816 /nfs/dbraw/zinc/46/08/16/982460816.db2.gz AIJBKNUPTYLEES-UHFFFAOYSA-N -1 0 343.427 3.555 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N1CCC(c2c(Cl)cccc2Cl)CC1 ZINC000911533298 982479559 /nfs/dbraw/zinc/47/95/59/982479559.db2.gz DVIFJAJWBXANNJ-JTQLQIEISA-N -1 0 344.238 3.810 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2F)s1 ZINC000911545742 982489256 /nfs/dbraw/zinc/48/92/56/982489256.db2.gz RKHPLEHBLNIZQJ-GFCCVEGCSA-N -1 0 337.347 3.702 20 0 EHADRM CC[C@@H](C)[C@H](Sc1nccn1-c1ccc(N(C)C)cc1)C(=O)[O-] ZINC001594929795 982549406 /nfs/dbraw/zinc/54/94/06/982549406.db2.gz VCUOAZYWVDRZSY-DOMZBBRYSA-N -1 0 333.457 3.530 20 0 EHADRM CC[C@H](C)[C@@H](SCC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC001594930432 982552816 /nfs/dbraw/zinc/55/28/16/982552816.db2.gz WVYTYPMNVNRKOC-GXTWGEPZSA-N -1 0 345.505 3.866 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)CCC1CCCCCC1)c1ccccn1 ZINC000911624981 982569566 /nfs/dbraw/zinc/56/95/66/982569566.db2.gz QYQCBCXHJNVBSN-LJQANCHMSA-N -1 0 332.444 3.638 20 0 EHADRM CCCCS[C@@H](C)C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1 ZINC001595786080 982573293 /nfs/dbraw/zinc/57/32/93/982573293.db2.gz NSWXOTJBDCGGJY-DZGCQCFKSA-N -1 0 329.506 3.696 20 0 EHADRM CCCCS[C@@H](C)C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1 ZINC001595789029 982586629 /nfs/dbraw/zinc/58/66/29/982586629.db2.gz JWARHEDPAXOVBU-QMMMGPOBSA-N -1 0 328.459 3.579 20 0 EHADRM CCCCc1ccc(CC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc1 ZINC001595794132 982599076 /nfs/dbraw/zinc/59/90/76/982599076.db2.gz ZTBQXCAYKLLKLE-WIYYLYMNSA-N -1 0 343.467 3.675 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)/C=C/c1ccc(F)c2ccccc12)C(=O)[O-] ZINC001594940164 982612659 /nfs/dbraw/zinc/61/26/59/982612659.db2.gz YADXNDXYUMHCJM-VIKMJRFMSA-N -1 0 343.398 3.998 20 0 EHADRM COCc1cccc(C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)c1 ZINC000911738638 982621530 /nfs/dbraw/zinc/62/15/30/982621530.db2.gz GUDYRXKNIGSXMT-UHFFFAOYSA-N -1 0 343.379 3.571 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)c1c(C)[nH]c2ccc(Cl)cc21)C(=O)[O-] ZINC001594944624 982627631 /nfs/dbraw/zinc/62/76/31/982627631.db2.gz GQGWOXZTXPBXNP-LKFCYVNXSA-N -1 0 336.819 3.749 20 0 EHADRM CCCCn1ncc(Nc2ncc(C(=O)[O-])cc2C(F)(F)F)c1C ZINC001595810134 982642784 /nfs/dbraw/zinc/64/27/84/982642784.db2.gz GVFSXHSWCSAWRR-UHFFFAOYSA-N -1 0 342.321 3.847 20 0 EHADRM CCCN(C(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1)[C@@H](C)C(=O)[O-] ZINC001595813184 982653392 /nfs/dbraw/zinc/65/33/92/982653392.db2.gz HOSAFTXXEOYNAQ-QWRGUYRKSA-N -1 0 331.334 3.521 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000916046985 982670374 /nfs/dbraw/zinc/67/03/74/982670374.db2.gz DYJMHZCHBPJVAD-LLVKDONJSA-N -1 0 333.384 3.784 20 0 EHADRM Cc1cc(C)cc(C2(C(=O)Nc3ccc(F)c(C(=O)[O-])c3)CC2)c1 ZINC000917659886 982681111 /nfs/dbraw/zinc/68/11/11/982681111.db2.gz ODBYACMFLBMPMW-UHFFFAOYSA-N -1 0 327.355 3.811 20 0 EHADRM CC[C@@H](C)CCC(=O)N[C@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC001594956128 982687496 /nfs/dbraw/zinc/68/74/96/982687496.db2.gz BKJAETIMXRMWEI-YGRLFVJLSA-N -1 0 347.333 3.653 20 0 EHADRM CCCN(C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F)C1CC1 ZINC001595823271 982697608 /nfs/dbraw/zinc/69/76/08/982697608.db2.gz VHEVIVCKDOJNOS-ZDUSSCGKSA-N -1 0 344.333 3.572 20 0 EHADRM CC[C@H](C)CCCCC(=O)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001594958481 982697793 /nfs/dbraw/zinc/69/77/93/982697793.db2.gz BYUSIHORFZDYAI-STQMWFEESA-N -1 0 338.473 3.764 20 0 EHADRM CCCN(C(=O)NC[C@H]1C[C@H]1C(=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC001595823421 982699526 /nfs/dbraw/zinc/69/95/26/982699526.db2.gz XQNJZKKVNGUMNX-NWANDNLSSA-N -1 0 344.411 3.636 20 0 EHADRM CCCN(C(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1)[C@H](C)C(=O)[O-] ZINC001595828090 982714649 /nfs/dbraw/zinc/71/46/49/982714649.db2.gz ZXJDXJCCJZTGAG-GFCCVEGCSA-N -1 0 330.428 3.791 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000923090219 982716536 /nfs/dbraw/zinc/71/65/36/982716536.db2.gz FKRHOLNFGZKWDY-KOLCDFICSA-N -1 0 337.347 3.775 20 0 EHADRM COc1ccc(C[C@@H](C)C(=O)Nc2cc(C(=O)[O-])sc2C)cc1 ZINC000923090255 982716746 /nfs/dbraw/zinc/71/67/46/982716746.db2.gz FYQJCKFMYWBMOR-SNVBAGLBSA-N -1 0 333.409 3.581 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)CC1CC(OC(C)(C)C)C1 ZINC000923098218 982722641 /nfs/dbraw/zinc/72/26/41/982722641.db2.gz RYNABHOEGGPPQK-UHFFFAOYSA-N -1 0 325.430 3.677 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1 ZINC001594967811 982731213 /nfs/dbraw/zinc/73/12/13/982731213.db2.gz CADZDWUAOYSLMI-GJZGRUSLSA-N -1 0 335.444 3.597 20 0 EHADRM O=C([O-])c1ccccc1CCNC(=O)C[C@@H]1CCCc2ccccc21 ZINC000923121378 982740507 /nfs/dbraw/zinc/74/05/07/982740507.db2.gz YQIXDBYVNRZVNL-KRWDZBQOSA-N -1 0 337.419 3.554 20 0 EHADRM O=C([O-])c1ccccc1CCNC(=O)CCCc1ccccc1Cl ZINC000923126089 982744166 /nfs/dbraw/zinc/74/41/66/982744166.db2.gz GTECBRXDYGZOBV-UHFFFAOYSA-N -1 0 345.826 3.720 20 0 EHADRM CCCN(C)c1ccc(C(=O)Nc2sc(C)cc2C(=O)[O-])cc1 ZINC001595840492 982761255 /nfs/dbraw/zinc/76/12/55/982761255.db2.gz YWODGBIEZXTULF-UHFFFAOYSA-N -1 0 332.425 3.853 20 0 EHADRM CCCN(CC(=O)Nc1ccccc1C)[C@H](C)c1ccc(C(=O)[O-])o1 ZINC001595845857 982768491 /nfs/dbraw/zinc/76/84/91/982768491.db2.gz ALCLQRXNYQZTHJ-CQSZACIVSA-N -1 0 344.411 3.698 20 0 EHADRM CC[C@H](C)N1C(=O)N[C@H](c2ccc3occc3c2)C(C(=O)[O-])=C1C ZINC001594985228 982798031 /nfs/dbraw/zinc/79/80/31/982798031.db2.gz KJBAVNWPTNOLLJ-MGPLVRAMSA-N -1 0 328.368 3.656 20 0 EHADRM CC[C@H](C)N1C(=O)N[C@@H](c2ccc(Cl)s2)C(C(=O)[O-])=C1C ZINC001594985319 982799301 /nfs/dbraw/zinc/79/93/01/982799301.db2.gz MXJNECRQRBQLHV-MADCSZMMSA-N -1 0 328.821 3.625 20 0 EHADRM CC[C@@H](C)N(CCc1ccccc1F)C(=O)c1ccoc1CC(=O)[O-] ZINC001594985713 982808318 /nfs/dbraw/zinc/80/83/18/982808318.db2.gz ZNGZUVMSTRXWPI-CYBMUJFWSA-N -1 0 347.386 3.529 20 0 EHADRM CC[C@H](C)NC(=O)c1ccc(NCc2csc(C(=O)[O-])c2)cc1 ZINC001594991475 982856040 /nfs/dbraw/zinc/85/60/40/982856040.db2.gz IUQHYRLIONJYEB-NSHDSACASA-N -1 0 332.425 3.587 20 0 EHADRM CC[C@@H](C)OCC(=O)Nc1cc(-c2ccccc2)sc1C(=O)[O-] ZINC001594995071 982887232 /nfs/dbraw/zinc/88/72/32/982887232.db2.gz RFJDFHRMSBAXDJ-LLVKDONJSA-N -1 0 333.409 3.867 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)N[C@@H](CC(=O)[O-])C2CCCC2)cc1 ZINC001594999702 982910347 /nfs/dbraw/zinc/91/03/47/982910347.db2.gz OMHFBCQYGFVXRP-DYVFJYSZSA-N -1 0 333.428 3.627 20 0 EHADRM CCCN(Cc1nc2cc(C(=O)[O-])ccc2[nH]1)Cc1ccc(F)cc1 ZINC001595888250 982918030 /nfs/dbraw/zinc/91/80/30/982918030.db2.gz LOXPXHHNDUTQTJ-UHFFFAOYSA-N -1 0 341.386 3.812 20 0 EHADRM CCCN(Cc1ccoc1C(=O)[O-])[C@@H](C)C(=O)Nc1ccccc1C ZINC001595891248 982925540 /nfs/dbraw/zinc/92/55/40/982925540.db2.gz QBTGZYYHDYEXJN-AWEZNQCLSA-N -1 0 344.411 3.525 20 0 EHADRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])cs2)c(C)n1Cc1ccco1 ZINC001116771732 982934993 /nfs/dbraw/zinc/93/49/93/982934993.db2.gz IKOJPWQVBMEGGT-UHFFFAOYSA-N -1 0 344.392 3.758 20 0 EHADRM CCCN1C(=O)N(c2cccc3cc(C(=O)[O-])sc32)C(=O)[C@H]1CC ZINC001595896679 982941933 /nfs/dbraw/zinc/94/19/33/982941933.db2.gz OCTFRUFNELPMQM-LLVKDONJSA-N -1 0 346.408 3.557 20 0 EHADRM CC[C@@H](C)c1ccc([C@@H](NC(=O)NC[C@H](F)C(=O)[O-])C(C)C)cc1 ZINC001595010758 982943589 /nfs/dbraw/zinc/94/35/89/982943589.db2.gz WZFBHKCREHSLPH-KCXAZCMYSA-N -1 0 338.423 3.619 20 0 EHADRM CCCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cc(C(=O)[O-])co1 ZINC001595897184 982945910 /nfs/dbraw/zinc/94/59/10/982945910.db2.gz WTXIGCIVQQGCBB-AWEZNQCLSA-N -1 0 334.759 3.608 20 0 EHADRM CC[C@@H](C)c1cccc(NC(=O)NC(C)(C)c2nocc2C(=O)[O-])c1 ZINC001595014210 982950942 /nfs/dbraw/zinc/95/09/42/982950942.db2.gz PIGBFDYEMXIBOM-LLVKDONJSA-N -1 0 345.399 3.943 20 0 EHADRM CCCONC(=O)Nc1c(-c2ccc(C)cc2)csc1C(=O)[O-] ZINC001595947057 983112112 /nfs/dbraw/zinc/11/21/12/983112112.db2.gz AXRLQHVDPNGSMD-UHFFFAOYSA-N -1 0 334.397 3.885 20 0 EHADRM CCCOc1cccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(C)c2)c1 ZINC001595967471 983181170 /nfs/dbraw/zinc/18/11/70/983181170.db2.gz XNVYWEIAZPNTGE-GOSISDBHSA-N -1 0 341.407 3.730 20 0 EHADRM CCCOc1cccc(Cc2nc(-c3cccc(C(=O)[O-])c3)no2)c1 ZINC001595969925 983193852 /nfs/dbraw/zinc/19/38/52/983193852.db2.gz SUBUVJFJULBGHF-UHFFFAOYSA-N -1 0 338.363 3.814 20 0 EHADRM CCC[C@H](NC(=O)Cc1coc2c1ccc(Cl)c2Cl)C(=O)[O-] ZINC001596016207 983279374 /nfs/dbraw/zinc/27/93/74/983279374.db2.gz YAKSVAAWYWYEQA-NSHDSACASA-N -1 0 344.194 3.652 20 0 EHADRM CCCc1c(C(=O)NCc2cc(C)cc(C)c2)[nH]c(C)c1C(=O)[O-] ZINC001596042496 983329753 /nfs/dbraw/zinc/32/97/53/983329753.db2.gz UYGLOGDNRJMAPX-UHFFFAOYSA-N -1 0 328.412 3.521 20 0 EHADRM CCCc1c(C(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)[nH]c(C)c1C(C)=O ZINC001596047496 983342746 /nfs/dbraw/zinc/34/27/46/983342746.db2.gz XZQADIPKOMAQPC-LLVKDONJSA-N -1 0 347.367 3.687 20 0 EHADRM CCCc1cc(C(=O)Nc2cc(Cl)c(Cl)cc2C(=O)[O-])no1 ZINC001596056926 983362013 /nfs/dbraw/zinc/36/20/13/983362013.db2.gz NDPBDJCFQXXKMM-UHFFFAOYSA-N -1 0 343.166 3.884 20 0 EHADRM CCCc1cc(C(=O)Oc2ccc(C(=O)[O-])cc2OC)sc1C ZINC001596057005 983362534 /nfs/dbraw/zinc/36/25/34/983362534.db2.gz RWBCRDAXBHFRIY-UHFFFAOYSA-N -1 0 334.393 3.935 20 0 EHADRM CCCc1ccc(C(=O)N[C@@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC001596060650 983369766 /nfs/dbraw/zinc/36/97/66/983369766.db2.gz OEAXPPIQOXOJHE-HNAYVOBHSA-N -1 0 339.435 3.701 20 0 EHADRM CCCc1ccc(C[S@](=O)CCc2ccccc2C(=O)[O-])cc1 ZINC001596064788 983378356 /nfs/dbraw/zinc/37/83/56/983378356.db2.gz NIGYVMVGMZAOIU-HSZRJFAPSA-N -1 0 330.449 3.829 20 0 EHADRM CCCc1ccc(COc2cc(C(=O)[O-])cc(C(=O)OC)c2)cc1 ZINC001596065501 983380638 /nfs/dbraw/zinc/38/06/38/983380638.db2.gz ZLDIPOXBXYIMIL-UHFFFAOYSA-N -1 0 328.364 3.703 20 0 EHADRM CCCc1nc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCCC3)co1 ZINC001596077169 983393089 /nfs/dbraw/zinc/39/30/89/983393089.db2.gz CUSCARUGIKAOFU-UHFFFAOYSA-N -1 0 348.424 3.908 20 0 EHADRM CCCc1nc(C)c(C(=O)OC[C@](C)(C(=O)[O-])c2ccccc2)s1 ZINC001596082338 983399943 /nfs/dbraw/zinc/39/99/43/983399943.db2.gz UURVDEUMRNJZRK-SFHVURJKSA-N -1 0 347.436 3.603 20 0 EHADRM CCCc1nc(C)c(NC(=O)N[C@@H](CC(=O)[O-])C2CCCC2)s1 ZINC001596083499 983405432 /nfs/dbraw/zinc/40/54/32/983405432.db2.gz PAQQPDSGUQNEJT-LBPRGKRZSA-N -1 0 339.461 3.559 20 0 EHADRM CCCn1c2ccccc2c2nnc(SC/C(C)=C\C(=O)[O-])nc21 ZINC001596111192 983438405 /nfs/dbraw/zinc/43/84/05/983438405.db2.gz JPKWXZVYXIIMAM-LUAWRHEFSA-N -1 0 342.424 3.513 20 0 EHADRM CCN(C(=O)[C@@H]1CC[C@H](C(F)(F)F)C1)c1ccccc1C(=O)[O-] ZINC001596138328 983489158 /nfs/dbraw/zinc/48/91/58/983489158.db2.gz RPIJOZXHDCULHY-MNOVXSKESA-N -1 0 329.318 3.716 20 0 EHADRM CCN(C(=O)Cc1cccc(C(F)F)c1)c1ccccc1C(=O)[O-] ZINC001596143119 983496105 /nfs/dbraw/zinc/49/61/05/983496105.db2.gz MCYAAOCJKOAQHN-UHFFFAOYSA-N -1 0 333.334 3.918 20 0 EHADRM CCN(C(=O)c1csc(C(=O)[O-])n1)[C@H](C)c1cc2ccccc2o1 ZINC001596172695 983537578 /nfs/dbraw/zinc/53/75/78/983537578.db2.gz CFGDYCSTOWXWPM-SNVBAGLBSA-N -1 0 344.392 3.811 20 0 EHADRM CC(C)c1scnc1NC(=O)c1ncc(Br)s1 ZINC000655082862 1014959467 /nfs/dbraw/zinc/95/94/67/1014959467.db2.gz GURHRMCCUVOXPA-UHFFFAOYSA-N -1 0 332.248 3.738 20 0 EHADRM CCN(CC(=O)[O-])C(=O)CCCc1ccc2c(c1)-c1ccccc1C2 ZINC001596215033 983607524 /nfs/dbraw/zinc/60/75/24/983607524.db2.gz HTLFPSAKJCCNJK-UHFFFAOYSA-N -1 0 337.419 3.514 20 0 EHADRM CCN(Cc1ccc(C)cc1)C(=O)Nc1cccc(C(=O)[O-])c1OC ZINC001596359609 983835037 /nfs/dbraw/zinc/83/50/37/983835037.db2.gz LKJUOGWYPRZTPN-UHFFFAOYSA-N -1 0 342.395 3.756 20 0 EHADRM CCN(Cc1cccc(F)c1)C(=O)CSc1ccc(C(=O)[O-])cc1 ZINC001596368606 983864582 /nfs/dbraw/zinc/86/45/82/983864582.db2.gz WTAYFJBGUGDZQO-UHFFFAOYSA-N -1 0 347.411 3.665 20 0 EHADRM CCN(c1ccc(C(=O)N(CC(C)C)C(C)(C)C(=O)[O-])cc1)C(C)C ZINC001596383645 983908324 /nfs/dbraw/zinc/90/83/24/983908324.db2.gz CMPYXNMQYXHAFI-UHFFFAOYSA-N -1 0 348.487 3.883 20 0 EHADRM CCN1C(=O)N[C@@H](c2c(Cl)oc3ccccc32)C(C(=O)[O-])=C1C ZINC001596392200 983926118 /nfs/dbraw/zinc/92/61/18/983926118.db2.gz GGSFFWHMNGHHCT-CYBMUJFWSA-N -1 0 334.759 3.531 20 0 EHADRM CCNc1nc(C(=O)Nc2cccc3cc(C(=O)[O-])sc32)cs1 ZINC001596505541 984264373 /nfs/dbraw/zinc/26/43/73/984264373.db2.gz YGCDMGSYCMNHIB-UHFFFAOYSA-N -1 0 347.421 3.740 20 0 EHADRM C=Cc1ccc(C(=O)N(C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1 ZINC001588919848 984574622 /nfs/dbraw/zinc/57/46/22/984574622.db2.gz RUGFMSSGNWXFKV-MRXNPFEDSA-N -1 0 349.308 3.645 20 0 EHADRM C/C(=C/C(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1)c1cccs1 ZINC001588938507 984622560 /nfs/dbraw/zinc/62/25/60/984622560.db2.gz CDADTMAXHLXNDM-SLWQEBJJSA-N -1 0 333.384 3.541 20 0 EHADRM C/C(=C\C(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1)c1ccc(F)cc1 ZINC001588939261 984628567 /nfs/dbraw/zinc/62/85/67/984628567.db2.gz MOPDDGJBDRVDNQ-BJRSVTDJSA-N -1 0 341.382 3.870 20 0 EHADRM C/C(=C/C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1)c1cccs1 ZINC001588944925 984651234 /nfs/dbraw/zinc/65/12/34/984651234.db2.gz HBISLWFUKSWMSF-CLFYSBASSA-N -1 0 336.438 3.609 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)/C(=C\c1cccc(Cl)c1)c1cccs1 ZINC001599888085 984661411 /nfs/dbraw/zinc/66/14/11/984661411.db2.gz IAPGTORNPSOSSL-UXEDPAHQSA-N -1 0 349.839 3.922 20 0 EHADRM C[C@H](C(=O)O[C@H](C(=O)[O-])c1c(F)cccc1Cl)c1ccccc1 ZINC001599888346 984663872 /nfs/dbraw/zinc/66/38/72/984663872.db2.gz MARBUHBUMWVGIX-BONVTDFDSA-N -1 0 336.746 3.952 20 0 EHADRM C/C(=C\C(C)(C)C)C(=O)O[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001588956507 984705809 /nfs/dbraw/zinc/70/58/09/984705809.db2.gz RILFTXPUKUFAIJ-XSNHNAGMSA-N -1 0 347.411 3.556 20 0 EHADRM C[C@H](Nc1nccc(C(=O)[O-])n1)c1cccc(OCc2ccccc2)c1 ZINC001599902418 984863827 /nfs/dbraw/zinc/86/38/27/984863827.db2.gz CQHNJUBCNBVFLJ-AWEZNQCLSA-N -1 0 349.390 3.927 20 0 EHADRM C[C@H](OC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1cc(Cl)ccc1F ZINC001599904035 984899246 /nfs/dbraw/zinc/89/92/46/984899246.db2.gz YOSLWTIFNUJUPK-GARJFASQSA-N -1 0 328.767 3.974 20 0 EHADRM CCOC(=O)c1cc(CNc2ccc(SC)c(C(=O)[O-])c2)[nH]c1C ZINC001596706453 984908726 /nfs/dbraw/zinc/90/87/26/984908726.db2.gz IQDMAGBAWIVVAD-UHFFFAOYSA-N -1 0 348.424 3.532 20 0 EHADRM C/C(=C/Cl)CS[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001588990606 984910542 /nfs/dbraw/zinc/91/05/42/984910542.db2.gz BAYNBBCELUNDPF-DVBBHNHCSA-N -1 0 327.833 3.896 20 0 EHADRM C/C(=C/CSCCCCCCNC(=O)OC(C)(C)C)C(=O)[O-] ZINC001588991122 984914173 /nfs/dbraw/zinc/91/41/73/984914173.db2.gz RNYRCQJVCPRQTH-LCYFTJDESA-N -1 0 331.478 3.836 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001599905664 984919384 /nfs/dbraw/zinc/91/93/84/984919384.db2.gz BCSUZZMANBFKAC-HIJJYWJESA-N -1 0 333.771 3.864 20 0 EHADRM C/C(=C\c1c(Cl)cccc1Cl)C(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC001588995133 984921042 /nfs/dbraw/zinc/92/10/42/984921042.db2.gz FITVDPPKOPJOJO-FDMDGMSGSA-N -1 0 342.222 3.766 20 0 EHADRM C[C@H](OC(=O)c1cccc([C@@H]2CCOC2)c1)c1ccc(C(=O)[O-])cc1 ZINC001599906690 984932486 /nfs/dbraw/zinc/93/24/86/984932486.db2.gz UVBKEMWGBFYIKO-SCLBCKFNSA-N -1 0 340.375 3.807 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)Nc1cc(CCC(=O)[O-])ccc1O ZINC001588998357 984934791 /nfs/dbraw/zinc/93/47/91/984934791.db2.gz JSLPXAXHYLCCHL-KAMYIIQDSA-N -1 0 339.391 3.760 20 0 EHADRM C/C(=C\c1ccccn1)C(=O)Oc1cccc2c(CC(=O)[O-])cccc12 ZINC001589005102 984962682 /nfs/dbraw/zinc/96/26/82/984962682.db2.gz ATADTYYKYNFRFQ-WYMLVPIESA-N -1 0 347.370 3.871 20 0 EHADRM C/C(=C\c1ccco1)C(=O)N1CCCCc2cc(C(=O)[O-])ccc21 ZINC001589010055 984974565 /nfs/dbraw/zinc/97/45/65/984974565.db2.gz AUYQMMGOPCDPJJ-ACCUITESSA-N -1 0 325.364 3.751 20 0 EHADRM CC(=O)[C@H](C)CCCCC(=O)Oc1ccc(Cl)cc1C(=O)[O-] ZINC001589022463 985015842 /nfs/dbraw/zinc/01/58/42/985015842.db2.gz BKHREQWCSKQKQO-SNVBAGLBSA-N -1 0 326.776 3.729 20 0 EHADRM C[C@H]1CN(C(=O)C2(Cc3cccs3)CCCCC2)C[C@]1(C)C(=O)[O-] ZINC001599914597 985037214 /nfs/dbraw/zinc/03/72/14/985037214.db2.gz BUGAFRUWIDSZMS-KSSFIOAISA-N -1 0 349.496 3.810 20 0 EHADRM CC(=O)N(c1ccc(NCc2cc(C)c(C(=O)[O-])o2)cc1)[C@@H]1C[C@H]1C ZINC001589051363 985138329 /nfs/dbraw/zinc/13/83/29/985138329.db2.gz GUWPCDBGCIWJOJ-PIGZYNQJSA-N -1 0 342.395 3.660 20 0 EHADRM CC(=O)N(c1ccc(NCc2ccc(/C=C/C(=O)[O-])o2)cc1)C1CC1 ZINC001589051627 985140920 /nfs/dbraw/zinc/14/09/20/985140920.db2.gz LHVGBJKRJRUJRZ-ZHACJKMWSA-N -1 0 340.379 3.505 20 0 EHADRM CCO[C@H](C(=O)N(c1ccccc1)[C@H](CC)C(=O)[O-])c1ccccc1 ZINC001596761181 985152078 /nfs/dbraw/zinc/15/20/78/985152078.db2.gz YRSSSNYQSYLKQU-MSOLQXFVSA-N -1 0 341.407 3.661 20 0 EHADRM CCO[C@H](C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1Cl)C(C)C ZINC001596767173 985177318 /nfs/dbraw/zinc/17/73/18/985177318.db2.gz JJCKAFPJSITUOX-LBPRGKRZSA-N -1 0 334.199 3.691 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2Cl)C[C@]1(C)C(=O)[O-] ZINC001599925837 985198545 /nfs/dbraw/zinc/19/85/45/985198545.db2.gz VPDVRFPMOPYLIS-RTHLEPHNSA-N -1 0 349.736 3.542 20 0 EHADRM CCO[C@H](C)c1noc(CSc2cc(Cl)ccc2C(=O)[O-])n1 ZINC001596775653 985208714 /nfs/dbraw/zinc/20/87/14/985208714.db2.gz RLAYGKNWQPLLIK-MRVPVSSYSA-N -1 0 342.804 3.811 20 0 EHADRM CC(=O)N1CCCc2cc(N[C@H](C(=O)[O-])c3ccccc3C)ccc21 ZINC001589077565 985232344 /nfs/dbraw/zinc/23/23/44/985232344.db2.gz HULREXWAAXWHDG-IBGZPJMESA-N -1 0 338.407 3.532 20 0 EHADRM C[C@]1(C(=O)Oc2ccc(SCC(=O)[O-])cc2)C[C@@H]1c1ccccc1 ZINC001599938396 985424231 /nfs/dbraw/zinc/42/42/31/985424231.db2.gz GOWVGPBADKFTDC-APWZRJJASA-N -1 0 342.416 3.963 20 0 EHADRM C[C@]1(c2ccccc2)C[C@H]1C(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC001599938871 985429436 /nfs/dbraw/zinc/42/94/36/985429436.db2.gz ZIKSWSHNVCUINH-SCLBCKFNSA-N -1 0 330.767 3.921 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)[C@@H]2CCCC[C@@H]21 ZINC001594478576 985505447 /nfs/dbraw/zinc/50/54/47/985505447.db2.gz OVSOIEHQGFVXRW-GLXFQSAKSA-N -1 0 338.354 3.705 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc(F)cc2Br)CCCC1 ZINC000035721756 1015133755 /nfs/dbraw/zinc/13/37/55/1015133755.db2.gz KGHASSCMXRPLBD-UHFFFAOYSA-N -1 0 344.180 3.562 20 0 EHADRM Cc1[nH]c(C(=O)CN(C)[C@H](C)c2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC001599944777 985506218 /nfs/dbraw/zinc/50/62/18/985506218.db2.gz OXWOYIIJFNXQGH-GFCCVEGCSA-N -1 0 348.830 3.859 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CC(C)(C)O1 ZINC001594482714 985541238 /nfs/dbraw/zinc/54/12/38/985541238.db2.gz SMVLUZFDWXRYDR-SNVBAGLBSA-N -1 0 348.424 3.631 20 0 EHADRM CCO[C@H]1C[C@@H](OC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C12CCCCC2 ZINC001596845427 985542176 /nfs/dbraw/zinc/54/21/76/985542176.db2.gz GIJKGOSKJABPQY-YHUYYLMFSA-N -1 0 338.444 3.549 20 0 EHADRM C[C@H]1CN(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])Cc2ccccc21 ZINC001594484824 985548664 /nfs/dbraw/zinc/54/86/64/985548664.db2.gz DCPMMRLZVRRSHH-ZDUSSCGKSA-N -1 0 348.402 3.555 20 0 EHADRM CC(=O)Nc1cc(NCc2ccc(C(=O)[O-])c(C)c2)ccc1Cl ZINC001589182444 985559028 /nfs/dbraw/zinc/55/90/28/985559028.db2.gz MRHSSUGMBBLWGL-UHFFFAOYSA-N -1 0 332.787 3.917 20 0 EHADRM Cc1[nH]c(C(=O)N[C@H]2CCc3ccc(C(C)C)cc32)c(C)c1C(=O)[O-] ZINC001599953305 985646243 /nfs/dbraw/zinc/64/62/43/985646243.db2.gz SUHDLHRACBGCJV-INIZCTEOSA-N -1 0 340.423 3.870 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1ccc2cccc(Cl)c2n1 ZINC001599956763 985701737 /nfs/dbraw/zinc/70/17/37/985701737.db2.gz PTGRFNIJJCQMDV-UHFFFAOYSA-N -1 0 343.770 3.784 20 0 EHADRM CC(=O)c1cc(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)cs1 ZINC001589258214 985906871 /nfs/dbraw/zinc/90/68/71/985906871.db2.gz UEWYHQYNOWJJBR-UHFFFAOYSA-N -1 0 341.747 3.694 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])[nH]c1NC(=O)c1ccc(C2=CCCC2)cc1 ZINC001589260598 985910781 /nfs/dbraw/zinc/91/07/81/985910781.db2.gz DJNKASLRGOSEIJ-UHFFFAOYSA-N -1 0 338.363 3.735 20 0 EHADRM Cc1conc1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000153456133 1125494628 /nfs/dbraw/zinc/49/46/28/1125494628.db2.gz ARXHHINDSZFFDB-UHFFFAOYSA-N -1 0 341.603 3.744 20 0 EHADRM Cc1c(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)cnn1CCC(C)C ZINC001599969527 985979815 /nfs/dbraw/zinc/97/98/15/985979815.db2.gz IQMLDLMLHWHYNL-UHFFFAOYSA-N -1 0 340.383 3.653 20 0 EHADRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)C(F)=C1CCC1 ZINC001599970813 986002452 /nfs/dbraw/zinc/00/24/52/986002452.db2.gz DNRUKEBLQJBQTL-UHFFFAOYSA-N -1 0 342.164 3.802 20 0 EHADRM CC(=O)c1ccc(OCc2ccccc2C(=O)[O-])c(Br)c1 ZINC001589297233 986038327 /nfs/dbraw/zinc/03/83/27/986038327.db2.gz DKXGRQDXKWDGNJ-UHFFFAOYSA-N -1 0 349.180 3.929 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC001599976166 986094410 /nfs/dbraw/zinc/09/44/10/986094410.db2.gz PAQRKBABUSSUFK-NOZJJQNGSA-N -1 0 335.400 3.674 20 0 EHADRM CCOCc1cc(CNc2ccc(C(=O)[O-])c(C)c2)ccc1OC ZINC001596946529 986098249 /nfs/dbraw/zinc/09/82/49/986098249.db2.gz VHDYGLHIOVBSNC-UHFFFAOYSA-N -1 0 329.396 3.850 20 0 EHADRM Cc1c2cccc(Cl)c2[nH]c1C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC001599977983 986121024 /nfs/dbraw/zinc/12/10/24/986121024.db2.gz NRIVRSZRMWEHGV-AWEZNQCLSA-N -1 0 348.811 3.747 20 0 EHADRM CC(=O)c1sccc1OCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001589323367 986145580 /nfs/dbraw/zinc/14/55/80/986145580.db2.gz BFSNQFWXIFXNRX-UHFFFAOYSA-N -1 0 343.360 3.883 20 0 EHADRM CCON(CC1CCCCC1)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001596964104 986166788 /nfs/dbraw/zinc/16/67/88/986166788.db2.gz RLANZNPVHAZBLD-UHFFFAOYSA-N -1 0 333.428 3.678 20 0 EHADRM Cc1c(C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)sc2cccc(F)c12 ZINC001599983259 986193430 /nfs/dbraw/zinc/19/34/30/986193430.db2.gz IAVUGKCBIFRCHC-UZWSLXQKSA-N -1 0 347.411 3.578 20 0 EHADRM CCOc1c(F)cccc1C(=O)Nc1ccc2c(c1)[nH]cc2C(=O)[O-] ZINC001596991602 986272052 /nfs/dbraw/zinc/27/20/52/986272052.db2.gz PGVVJVWOHYLXLN-UHFFFAOYSA-N -1 0 342.326 3.656 20 0 EHADRM C[C@H]1CN(c2cc(C(F)(F)F)c(C(=O)[O-])cn2)Cc2ccccc21 ZINC001594562714 986336474 /nfs/dbraw/zinc/33/64/74/986336474.db2.gz RMUFBGIIVNARFH-JTQLQIEISA-N -1 0 336.313 3.922 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)c1cccc(C)c1 ZINC001597009955 986346705 /nfs/dbraw/zinc/34/67/05/986346705.db2.gz SLKFEBHYBHMGPT-CYBMUJFWSA-N -1 0 327.380 3.834 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1C[C@H](C)CCC[C@H]1C ZINC001597015115 986364323 /nfs/dbraw/zinc/36/43/23/986364323.db2.gz MBXRCKYCQWUHDC-CHWSQXEVSA-N -1 0 334.416 3.826 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1C[C@@H](C)CCC[C@H]1C ZINC001597015117 986364495 /nfs/dbraw/zinc/36/44/95/986364495.db2.gz MBXRCKYCQWUHDC-QWHCGFSZSA-N -1 0 334.416 3.826 20 0 EHADRM C[C@H](C(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1cn(C)c2ccccc12 ZINC001589369121 986409592 /nfs/dbraw/zinc/40/95/92/986409592.db2.gz MCWBAXHYUWWSBC-ZDUSSCGKSA-N -1 0 348.402 3.522 20 0 EHADRM C[C@@H](C(=O)N[C@@H](C(=O)[O-])C1CCCCC1)c1cc2ccccc2o1 ZINC001589373716 986423658 /nfs/dbraw/zinc/42/36/58/986423658.db2.gz FMSOYWUKRMVHSN-SJKOYZFVSA-N -1 0 329.396 3.686 20 0 EHADRM CCOc1cc(NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)ccc1C ZINC001597042637 986495279 /nfs/dbraw/zinc/49/52/79/986495279.db2.gz XATXPUQISJTVID-AWEZNQCLSA-N -1 0 334.416 3.502 20 0 EHADRM CCOc1cc(NCc2c3ccccc3sc2C(=O)[O-])nc(C)n1 ZINC001597043119 986498319 /nfs/dbraw/zinc/49/83/19/986498319.db2.gz NQPVJLAPDQWCSP-UHFFFAOYSA-N -1 0 343.408 3.709 20 0 EHADRM CC(C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-])=C1CCC1 ZINC001589405045 986586380 /nfs/dbraw/zinc/58/63/80/986586380.db2.gz VFZZTIPQODILCX-GOSISDBHSA-N -1 0 337.419 3.700 20 0 EHADRM C[C@H]1Cc2cc(Nc3ncc(C(=O)[O-])cc3C(F)(F)F)ccc2O1 ZINC001594618576 986641453 /nfs/dbraw/zinc/64/14/53/986641453.db2.gz FZFRZLOIYLKKJH-QMMMGPOBSA-N -1 0 338.285 3.866 20 0 EHADRM C[C@H]1N(C(=O)NCC2(CC(=O)[O-])CCCC2)c2ccccc2C1(C)C ZINC001594624892 986689551 /nfs/dbraw/zinc/68/95/51/986689551.db2.gz FJYICFFGFVMRRU-CQSZACIVSA-N -1 0 344.455 3.917 20 0 EHADRM C[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C)c1cccc(Cl)c1 ZINC001589430636 986719818 /nfs/dbraw/zinc/71/98/18/986719818.db2.gz BGFUPUNRDURRKD-NSHDSACASA-N -1 0 346.814 3.846 20 0 EHADRM C[C@H](C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12)C1CCC1 ZINC001589439465 986774367 /nfs/dbraw/zinc/77/43/67/986774367.db2.gz VNHKQCUODGMOGO-LBPRGKRZSA-N -1 0 327.380 3.678 20 0 EHADRM C[C@@H](C(=O)Nc1ccc2c(c1)[nH]cc2C(=O)[O-])c1ccc(F)c(F)c1 ZINC001589439682 986779204 /nfs/dbraw/zinc/77/92/04/986779204.db2.gz ZPRGOGTVHYKDKS-SECBINFHSA-N -1 0 344.317 3.887 20 0 EHADRM CCOc1ccc(N[C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC001597122575 986817194 /nfs/dbraw/zinc/81/71/94/986817194.db2.gz DAQVBWXLKTWOOO-ZDUSSCGKSA-N -1 0 342.395 3.531 20 0 EHADRM CCOc1ccc(NC(=O)c2ccc(Cl)s2)c(C(=O)[O-])c1F ZINC001597122872 986821199 /nfs/dbraw/zinc/82/11/99/986821199.db2.gz MVTVYBXGZABPIC-UHFFFAOYSA-N -1 0 343.763 3.890 20 0 EHADRM CCOc1ccc(NC(=O)c2ccc(/C=C/C(=O)[O-])o2)cc1Cl ZINC001597123548 986825711 /nfs/dbraw/zinc/82/57/11/986825711.db2.gz UNGZFAACCZRUAY-VMPITWQZSA-N -1 0 335.743 3.682 20 0 EHADRM CCOc1ccc(NC(=O)c2ccc(C)c(C(=O)[O-])c2)cc1Cl ZINC001597123877 986828004 /nfs/dbraw/zinc/82/80/04/986828004.db2.gz ZWXCQEJVLAJSEW-UHFFFAOYSA-N -1 0 333.771 3.998 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)Nc1cccc(C2CC2)n1)c1ccccc1 ZINC001589458725 986904273 /nfs/dbraw/zinc/90/42/73/986904273.db2.gz QRCKOCDOMKGOQJ-YVEFUNNKSA-N -1 0 339.395 3.543 20 0 EHADRM CCOc1cccc(CCC(=O)N(CC2CC2)[C@@](C)(CC)C(=O)[O-])c1 ZINC001597150536 986927044 /nfs/dbraw/zinc/92/70/44/986927044.db2.gz ULYSAXBRLHYZPH-FQEVSTJZSA-N -1 0 347.455 3.510 20 0 EHADRM CCOc1cccc(CNc2ccc(C(=O)[O-])cc2)c1OC(F)F ZINC001597155152 986947055 /nfs/dbraw/zinc/94/70/55/986947055.db2.gz GXMRANXTYBOWLG-UHFFFAOYSA-N -1 0 337.322 3.997 20 0 EHADRM C[C@@H]1[C@H](C)SCCN1C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001594664752 986955801 /nfs/dbraw/zinc/95/58/01/986955801.db2.gz YHQXJVBTMOWFDC-SFYZADRCSA-N -1 0 346.811 3.535 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)CCc1ccc(Cl)c(Cl)c1)C1CCC1 ZINC001589472786 986969397 /nfs/dbraw/zinc/96/93/97/986969397.db2.gz UKIRWBRYVGKTDN-JTQLQIEISA-N -1 0 344.238 3.780 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)/C=C/c1ccsc1C(F)(F)F)C1CCC1 ZINC001589473118 986971385 /nfs/dbraw/zinc/97/13/85/986971385.db2.gz WPMJFAMNWRKIMH-CYNONHLPSA-N -1 0 347.358 3.634 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)c1nc2ccccc2cc1C1CC1)C1CCC1 ZINC001589478107 986990479 /nfs/dbraw/zinc/99/04/79/986990479.db2.gz GUGWHFIVYHJIRI-GFCCVEGCSA-N -1 0 338.407 3.580 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)c1ccc2c(c1)-c1ccccc1C2)C1CCC1 ZINC001589478880 987002213 /nfs/dbraw/zinc/00/22/13/987002213.db2.gz NZTDAHQFFUVUFX-CYBMUJFWSA-N -1 0 335.403 3.726 20 0 EHADRM C/C=C\C[C@@H]1CCCN(C(=O)c2[nH]c(C)c(C(=O)[O-])c2CCC)C1 ZINC001594686016 987059666 /nfs/dbraw/zinc/05/96/66/987059666.db2.gz LCNKSZIWJCNLCQ-KXQLTZBTSA-N -1 0 332.444 3.792 20 0 EHADRM C/C=C/C[C@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC001594686087 987060865 /nfs/dbraw/zinc/06/08/65/987060865.db2.gz MRZNZPLEPROYMJ-VUDBWIFFSA-N -1 0 338.354 3.873 20 0 EHADRM CC/C(=C/C(=O)N[C@](C)(CC(=O)[O-])C1CC1)c1cccc(Cl)c1 ZINC001594690804 987084138 /nfs/dbraw/zinc/08/41/38/987084138.db2.gz JGDICARTFMSWMT-SIKDUDHDSA-N -1 0 335.831 3.893 20 0 EHADRM CC/C(=C\C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-])c1ccc(OC)cc1 ZINC001594690824 987084147 /nfs/dbraw/zinc/08/41/47/987084147.db2.gz JKHKMFMDPLQYMI-JJMHFJPWSA-N -1 0 345.439 3.638 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)/C=C\SCc2ccco2)cc1 ZINC001589503264 987107260 /nfs/dbraw/zinc/10/72/60/987107260.db2.gz LQTLZLWOLANMGX-CUZBXDDWSA-N -1 0 331.393 3.853 20 0 EHADRM CCC(=CC(=O)Oc1ccc(Br)cc1C(=O)[O-])CC ZINC001594694427 987108348 /nfs/dbraw/zinc/10/83/48/987108348.db2.gz WQEBESVIBJYMRP-UHFFFAOYSA-N -1 0 327.174 3.799 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)Cc2ccc3cnccc3c2)cc1 ZINC001589503997 987111498 /nfs/dbraw/zinc/11/14/98/987111498.db2.gz IWWIAQCERLZJSV-ZDUSSCGKSA-N -1 0 334.375 3.604 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CCC[C@]3(CCSC3)C2)cc1 ZINC001589508249 987128184 /nfs/dbraw/zinc/12/81/84/987128184.db2.gz IXDROXJGROIUFA-ACJLOTCBSA-N -1 0 348.468 3.626 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2CC[C@@H]2c2ccc(F)cc2)cc1 ZINC001589510541 987136626 /nfs/dbraw/zinc/13/66/26/987136626.db2.gz VQCCUXKJZHZEIR-YVEFUNNKSA-N -1 0 342.370 3.993 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cc1 ZINC001589510778 987136749 /nfs/dbraw/zinc/13/67/49/987136749.db2.gz WDVATFDVCUBFNS-LULRCYNZSA-N -1 0 340.423 3.551 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NCC(F)(F)c2ccccc2)cc1 ZINC001589511753 987142851 /nfs/dbraw/zinc/14/28/51/987142851.db2.gz CSINDZLTOAGLPH-LBPRGKRZSA-N -1 0 348.349 3.788 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N[C@@H]2C[C@H]2c2ccccc2F)cc1 ZINC001589512738 987151669 /nfs/dbraw/zinc/15/16/69/987151669.db2.gz WCVPQELYOGVEEZ-XQAQDONZSA-N -1 0 342.370 3.691 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@H]2CC[C@H](C(F)(F)F)C2)c1 ZINC001589522792 987182115 /nfs/dbraw/zinc/18/21/15/987182115.db2.gz NVNFMULBUYFAEE-DLOVCJGASA-N -1 0 329.318 3.792 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)Nc2cccc(C3CC3)n2)c1 ZINC001589532119 987210738 /nfs/dbraw/zinc/21/07/38/987210738.db2.gz BDTBMYJXMMTBQN-LLVKDONJSA-N -1 0 325.368 3.791 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)COC/C=C\c2ccccc2)c1 ZINC001589533420 987225970 /nfs/dbraw/zinc/22/59/70/987225970.db2.gz OOZNODQLLYXJNN-AJHXJQRKSA-N -1 0 339.391 3.543 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)CNc2cccc(Cl)c2)c1 ZINC001589533836 987229002 /nfs/dbraw/zinc/22/90/02/987229002.db2.gz UAQBZVNWVBSHMP-LLVKDONJSA-N -1 0 332.787 3.579 20 0 EHADRM CC[C@H](C(=O)N(C)c1c(OC)cccc1C(=O)[O-])c1ccc(F)cc1 ZINC001594725367 987230050 /nfs/dbraw/zinc/23/00/50/987230050.db2.gz TZCXVUJDVPKSAM-AWEZNQCLSA-N -1 0 345.370 3.689 20 0 EHADRM CC(C)C[C@@H](Cc1cccc(-c2cccc(C(N)=O)c2F)c1)C(=O)[O-] ZINC000579853663 1015289019 /nfs/dbraw/zinc/28/90/19/1015289019.db2.gz YJKTUOYEPQKDEV-HNNXBMFYSA-N -1 0 343.398 3.881 20 0 EHADRM C[C@H](C(=O)OC1CC(CC(=O)[O-])C1)c1c(Cl)cccc1Cl ZINC001589544371 987265837 /nfs/dbraw/zinc/26/58/37/987265837.db2.gz ZPQIIZWCTZVZPF-IDKOKCKLSA-N -1 0 331.195 3.893 20 0 EHADRM C[C@@H](C(=O)OCc1occc1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001589545774 987265846 /nfs/dbraw/zinc/26/58/46/987265846.db2.gz ADRKTFKIAUIKNZ-SECBINFHSA-N -1 0 342.269 3.844 20 0 EHADRM CCS[C@H]1CCCC[C@H]1NC(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001597258691 987272065 /nfs/dbraw/zinc/27/20/65/987272065.db2.gz RYTLFYXPRVDWBP-CABCVRRESA-N -1 0 336.457 3.879 20 0 EHADRM CCSCc1cccc(NC(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC001597265356 987295726 /nfs/dbraw/zinc/29/57/26/987295726.db2.gz QYAKOUWIVYPJDS-UHFFFAOYSA-N -1 0 329.421 3.819 20 0 EHADRM CCSCc1cccc(NC(=O)N[C@@](C)(CC(=O)[O-])C2CC2)c1 ZINC001597265417 987296842 /nfs/dbraw/zinc/29/68/42/987296842.db2.gz UNWGBSGSUWARCL-KRWDZBQOSA-N -1 0 336.457 3.705 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001597273000 987324920 /nfs/dbraw/zinc/32/49/20/987324920.db2.gz NVZVLTHYPQVLRD-GXSJLCMTSA-N -1 0 342.848 3.779 20 0 EHADRM CC[C@@H](NC(=O)NCc1ccc(C(=O)[O-])cc1F)c1ccc(F)cc1 ZINC001597286334 987368218 /nfs/dbraw/zinc/36/82/18/987368218.db2.gz WWGZIGBVAHTOAZ-MRXNPFEDSA-N -1 0 348.349 3.614 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)/C=C\CCc2ccccc2)C1 ZINC001589605846 987451474 /nfs/dbraw/zinc/45/14/74/987451474.db2.gz RLDUPCDVOFWTJN-KYTCBBFDSA-N -1 0 329.440 3.525 20 0 EHADRM CC[C@H](NC(=O)Nc1cnc(C)c(C(=O)[O-])c1)c1ccccc1F ZINC001597336455 987474297 /nfs/dbraw/zinc/47/42/97/987474297.db2.gz PTIPDBFYSONUPK-HNNXBMFYSA-N -1 0 331.347 3.500 20 0 EHADRM CC[C@H](NCc1ccc(C(=O)[O-])cc1Br)C(F)(F)F ZINC001597349288 987483537 /nfs/dbraw/zinc/48/35/37/987483537.db2.gz CJWQOAPEVKTVEQ-JTQLQIEISA-N -1 0 340.139 3.578 20 0 EHADRM CCc1[nH]c(C(=O)N[C@@H](C(F)F)C2CCCCC2)c(C)c1C(=O)[O-] ZINC001597364605 987534924 /nfs/dbraw/zinc/53/49/24/987534924.db2.gz WTHXZJHGXKTKGT-CQSZACIVSA-N -1 0 342.386 3.528 20 0 EHADRM CCc1[nH]c(C(=O)N[C@H]2CCCc3c(C)cccc32)c(C)c1C(=O)[O-] ZINC001597367088 987540448 /nfs/dbraw/zinc/54/04/48/987540448.db2.gz LWRPWLCTAJQUPG-INIZCTEOSA-N -1 0 340.423 3.700 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Nc2cc3cc[nH]c3cn2)cc1 ZINC001589638172 987559325 /nfs/dbraw/zinc/55/93/25/987559325.db2.gz YRUJRGMLFFGCRI-UHFFFAOYSA-N -1 0 338.367 3.569 20 0 EHADRM CCc1c(C(=O)Nc2sc(C)cc2C(=O)[O-])cnn1CCC(C)C ZINC001597412291 987704967 /nfs/dbraw/zinc/70/49/67/987704967.db2.gz CGILTRVLUQJUSZ-UHFFFAOYSA-N -1 0 349.456 3.812 20 0 EHADRM CCc1c(NC(=O)Nc2ccc(C(=O)[O-])nc2)cnn1C(CC)CC ZINC001597420310 987733312 /nfs/dbraw/zinc/73/33/12/987733312.db2.gz PZVMCPTYPVRKNB-UHFFFAOYSA-N -1 0 345.403 3.544 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)/C=C\c2cc(C(=O)[O-])co2)cc1 ZINC001589696749 987777305 /nfs/dbraw/zinc/77/73/05/987777305.db2.gz OPJSCCBNJUYAEQ-HJWRWDBZSA-N -1 0 341.363 3.859 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)cc1 ZINC001589696954 987779110 /nfs/dbraw/zinc/77/91/10/987779110.db2.gz VGBAXUKNNGGBDS-UHFFFAOYSA-N -1 0 343.423 3.889 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)Cc2ccc(F)cc2Cl)s1 ZINC001597440575 987799211 /nfs/dbraw/zinc/79/92/11/987799211.db2.gz GOFNZXBOVRKRQF-UHFFFAOYSA-N -1 0 341.791 3.982 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)c1ccc2c(c1)-c1ccccc1C2 ZINC001589704283 987809628 /nfs/dbraw/zinc/80/96/28/987809628.db2.gz HZCMORDYEIACNG-SFHVURJKSA-N -1 0 337.419 3.877 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)Cc2csc(C3CC3)n2)s1 ZINC001597443607 987810093 /nfs/dbraw/zinc/81/00/93/987810093.db2.gz OHMHIOPYVXSYLB-UHFFFAOYSA-N -1 0 336.438 3.524 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2ccc(OC)c(OC)c2C)s1 ZINC001597444949 987814853 /nfs/dbraw/zinc/81/48/53/987814853.db2.gz FXILNOUUYXKXGW-UHFFFAOYSA-N -1 0 349.408 3.587 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)C1CC(O)(CCC(C)(C)C)C1 ZINC001597449492 987833736 /nfs/dbraw/zinc/83/37/36/987833736.db2.gz FGBCMKRBELJGQT-UHFFFAOYSA-N -1 0 347.455 3.853 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)OCc1ccc(C)cc1 ZINC001597449780 987835311 /nfs/dbraw/zinc/83/53/11/987835311.db2.gz KTKOZTPKFCEVDM-AWEZNQCLSA-N -1 0 341.407 3.799 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)Cc1ccc(Cl)c(F)c1 ZINC001597452278 987847642 /nfs/dbraw/zinc/84/76/42/987847642.db2.gz OTQWWGREAUSBOO-UHFFFAOYSA-N -1 0 335.762 3.921 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N(C)Cc1ccc(F)cc1F ZINC001597452693 987850573 /nfs/dbraw/zinc/85/05/73/987850573.db2.gz HRJIKQSSANHIFI-UHFFFAOYSA-N -1 0 348.349 3.889 20 0 EHADRM CC(C)(C)[C@H](NC(=O)CC1(CSc2ccccc2)CC1)C(=O)[O-] ZINC001589712927 987851065 /nfs/dbraw/zinc/85/10/65/987851065.db2.gz SMTBADUZQAWRSF-OAHLLOKOSA-N -1 0 335.469 3.565 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCC[C@@H]1CCC2(CCC2)O1 ZINC001597459253 987884513 /nfs/dbraw/zinc/88/45/13/987884513.db2.gz YLZZWUAVXIEIRG-HNNXBMFYSA-N -1 0 346.427 3.561 20 0 EHADRM CSC1(C(=O)Nc2cc(C(=O)[O-])cc(Cl)c2Cl)CCC1 ZINC001599784353 987897069 /nfs/dbraw/zinc/89/70/69/987897069.db2.gz UTXDYTSGTJNUCZ-UHFFFAOYSA-N -1 0 334.224 3.916 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)Nc1cccc2c1CCO2 ZINC001597465101 987902343 /nfs/dbraw/zinc/90/23/43/987902343.db2.gz RDLACYZNWGSNFB-UHFFFAOYSA-N -1 0 326.352 3.526 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cnc2ccc(F)cc2c1 ZINC001597465314 987902640 /nfs/dbraw/zinc/90/26/40/987902640.db2.gz SUOXXRQBUBVIPR-UHFFFAOYSA-N -1 0 338.338 3.887 20 0 EHADRM CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001589727769 987924599 /nfs/dbraw/zinc/92/45/99/987924599.db2.gz BCTKQVBILJOQLM-ONGXEEELSA-N -1 0 340.370 3.999 20 0 EHADRM CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)c1cccc(CC(=O)[O-])c1 ZINC001589729301 987942188 /nfs/dbraw/zinc/94/21/88/987942188.db2.gz WSFDYBHFSDHPJY-IRXDYDNUSA-N -1 0 331.456 3.896 20 0 EHADRM CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)Cc1ccccc1C(=O)[O-] ZINC001589729434 987943519 /nfs/dbraw/zinc/94/35/19/987943519.db2.gz YNLKDLQPXRHZSU-DOTOQJQBSA-N -1 0 331.456 3.896 20 0 EHADRM CCc1cc(N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)ccc1C ZINC001597483240 987986841 /nfs/dbraw/zinc/98/68/41/987986841.db2.gz KEYXMUNKOFCNJF-OAHLLOKOSA-N -1 0 344.436 3.535 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)/C=C/c1csc(C(F)(F)F)c1)C(=O)[O-] ZINC001589743579 988029944 /nfs/dbraw/zinc/02/99/44/988029944.db2.gz RMKULGGFDPFREB-ORAHPGNNSA-N -1 0 349.374 3.786 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)NC1CC(CC(=O)[O-])C1)c1ccccc1 ZINC001589745436 988038469 /nfs/dbraw/zinc/03/84/69/988038469.db2.gz JHLNEENBGTUARA-AVVWSFFYSA-N -1 0 332.444 3.716 20 0 EHADRM CCc1ccc(C(=O)[O-])c(OC(=O)/C=C/c2ccc(Cl)nc2)c1 ZINC001597506391 988075957 /nfs/dbraw/zinc/07/59/57/988075957.db2.gz CXNWHQMYINXXSM-VMPITWQZSA-N -1 0 331.755 3.614 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c2cccc(C)c2)cc1 ZINC001597511541 988092053 /nfs/dbraw/zinc/09/20/53/988092053.db2.gz CALLMIAFIDPURI-BEFAXECRSA-N -1 0 339.435 3.993 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)Nc2c(C)ccc(C(=O)[O-])c2O)cc1 ZINC001597511939 988094695 /nfs/dbraw/zinc/09/46/95/988094695.db2.gz KSMIUBPKZBENHT-GFCCVEGCSA-N -1 0 327.380 3.703 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)OCc2nc(C)c(C(=O)[O-])s2)cc1 ZINC001597512026 988095501 /nfs/dbraw/zinc/09/55/01/988095501.db2.gz OVYBNTBYYUQIRN-SNVBAGLBSA-N -1 0 333.409 3.559 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)Nc2nc(CCC(=O)[O-])cs2)cc1 ZINC001597512412 988098571 /nfs/dbraw/zinc/09/85/71/988098571.db2.gz YQWMBPQEKXLGGV-GFCCVEGCSA-N -1 0 346.452 3.855 20 0 EHADRM CCc1ccc(C2CCN(C(=O)[C@H]3CCCC[C@H]3C(=O)[O-])CC2)cc1 ZINC001597518277 988137139 /nfs/dbraw/zinc/13/71/39/988137139.db2.gz SCUGEDUDIUTYOR-RBUKOAKNSA-N -1 0 343.467 3.846 20 0 EHADRM CC(C)(C)CN1CCC[C@H](SCc2cccc(C(=O)[O-])c2)C1=O ZINC001589780841 988157001 /nfs/dbraw/zinc/15/70/01/988157001.db2.gz QICSIFXVDAYOAS-HNNXBMFYSA-N -1 0 335.469 3.655 20 0 EHADRM CCc1ccc(CN(C)C(=O)CSc2ccc(C(=O)[O-])cc2)cc1 ZINC001597524690 988163360 /nfs/dbraw/zinc/16/33/60/988163360.db2.gz GRXUNRQVJSWUDP-UHFFFAOYSA-N -1 0 343.448 3.698 20 0 EHADRM CCc1ccc(CCNC(=O)Nc2ccc(F)c(C(=O)[O-])c2C)cc1 ZINC001597524920 988165605 /nfs/dbraw/zinc/16/56/05/988165605.db2.gz RESZLMVEJAULMW-UHFFFAOYSA-N -1 0 344.386 3.759 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC001597530698 988186637 /nfs/dbraw/zinc/18/66/37/988186637.db2.gz KDSMFOBTCNANMF-GWCFXTLKSA-N -1 0 338.835 3.792 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(C(=O)[O-])nc1 ZINC001597530705 988187676 /nfs/dbraw/zinc/18/76/76/988187676.db2.gz KEBNADLTALXWLY-UHFFFAOYSA-N -1 0 332.787 3.810 20 0 EHADRM CCc1ccc(F)cc1C(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC001597530724 988188150 /nfs/dbraw/zinc/18/81/50/988188150.db2.gz LBXWXPDXRKUSKX-UHFFFAOYSA-N -1 0 333.384 3.889 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)NC[C@H](CC)C(=O)[O-] ZINC001597531155 988190272 /nfs/dbraw/zinc/19/02/72/988190272.db2.gz YVISFEWQESZAIW-NSHDSACASA-N -1 0 326.824 3.697 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC001599802086 988193483 /nfs/dbraw/zinc/19/34/83/988193483.db2.gz SCTANBAOSRWTOG-VXGBXAGGSA-N -1 0 347.436 3.621 20 0 EHADRM CCc1ccc(NC(=O)[C@H]2SCCc3sccc32)c(C(=O)[O-])c1 ZINC001597543271 988240438 /nfs/dbraw/zinc/24/04/38/988240438.db2.gz ZFSWCUBKWIUDMV-HNNXBMFYSA-N -1 0 347.461 3.978 20 0 EHADRM CCc1ccc(NC(=O)N(C)Cc2ccc(Cl)nc2)c(C(=O)[O-])c1 ZINC001597545607 988248662 /nfs/dbraw/zinc/24/86/62/988248662.db2.gz YXWGVLRZFZWREU-UHFFFAOYSA-N -1 0 347.802 3.660 20 0 EHADRM CSc1c(F)cccc1C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001599805854 988254997 /nfs/dbraw/zinc/25/49/97/988254997.db2.gz AUMLDDKDGXHKJK-GFCCVEGCSA-N -1 0 339.432 3.559 20 0 EHADRM CSc1c(F)cccc1C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC001599806095 988258496 /nfs/dbraw/zinc/25/84/96/988258496.db2.gz LLFAHAPRYVCVLN-UHFFFAOYSA-N -1 0 338.331 3.533 20 0 EHADRM CSc1cc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)ccc1F ZINC001599806279 988261281 /nfs/dbraw/zinc/26/12/81/988261281.db2.gz BTRXWDCLOWEWKG-NSHDSACASA-N -1 0 339.413 3.555 20 0 EHADRM CSc1cc(C(=O)NCC2(CC(=O)[O-])CCCCC2)ccc1F ZINC001599806763 988268513 /nfs/dbraw/zinc/26/85/13/988268513.db2.gz RRUBKDDMZGRKGI-UHFFFAOYSA-N -1 0 339.432 3.703 20 0 EHADRM CSc1cc(C(=O)OCc2c(Cl)cccc2C(=O)[O-])ccn1 ZINC001599807744 988283626 /nfs/dbraw/zinc/28/36/26/988283626.db2.gz ULXYDMFLDMZAQL-UHFFFAOYSA-N -1 0 337.784 3.512 20 0 EHADRM CSc1cc(C)ccc1NC(=O)c1ccccc1CCC(=O)[O-] ZINC001599808051 988288107 /nfs/dbraw/zinc/28/81/07/988288107.db2.gz XALYDUWEVJLBNV-UHFFFAOYSA-N -1 0 329.421 3.986 20 0 EHADRM CSc1cc(C)c(C(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)o1 ZINC001599808403 988293077 /nfs/dbraw/zinc/29/30/77/988293077.db2.gz GXBGDLCLQKGQDC-UHFFFAOYSA-N -1 0 334.393 3.891 20 0 EHADRM CCc1ccc2nc(NC(=O)c3cccc(C(=O)[O-])c3)sc2c1 ZINC001597570662 988347780 /nfs/dbraw/zinc/34/77/80/988347780.db2.gz WVLIFENSRWIHPO-UHFFFAOYSA-N -1 0 326.377 3.809 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)CCc1ccc(OC)c(F)c1 ZINC001597572274 988352902 /nfs/dbraw/zinc/35/29/02/988352902.db2.gz JABKBWQVADQTHE-UHFFFAOYSA-N -1 0 345.370 3.666 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cc(C)n([C@H](C)CC)n1 ZINC001597572507 988354128 /nfs/dbraw/zinc/35/41/28/988354128.db2.gz LHUBLONBWZRTRR-LLVKDONJSA-N -1 0 329.400 3.675 20 0 EHADRM CSc1ccc(C)c(NC(=O)NCc2cc(C)c(C(=O)[O-])o2)c1 ZINC001599812083 988355275 /nfs/dbraw/zinc/35/52/75/988355275.db2.gz HDCOVQPMNXBZRP-UHFFFAOYSA-N -1 0 334.397 3.638 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)[C@H]1CCOc2c(F)cccc21 ZINC001597574040 988359491 /nfs/dbraw/zinc/35/94/91/988359491.db2.gz YEQGPPKDXVJAMP-ZDUSSCGKSA-N -1 0 343.354 3.591 20 0 EHADRM CSc1ccc(CCC(=O)N(C)C2(C(=O)[O-])CCCCC2)cc1 ZINC001599812535 988362408 /nfs/dbraw/zinc/36/24/08/988362408.db2.gz MUCMUFNPZPXJPM-UHFFFAOYSA-N -1 0 335.469 3.587 20 0 EHADRM CSc1ccc(NC(=O)CCC(=O)c2ccccc2)cc1C(=O)[O-] ZINC001599815877 988423369 /nfs/dbraw/zinc/42/33/69/988423369.db2.gz YUWBUWNZRVXLBA-UHFFFAOYSA-N -1 0 343.404 3.708 20 0 EHADRM CC(C)(C)OC(=O)C1CC(Nc2ccc(C(C)(C)C(=O)[O-])cc2)C1 ZINC001589860628 988432835 /nfs/dbraw/zinc/43/28/35/988432835.db2.gz WQOITGYNYFLGES-UHFFFAOYSA-N -1 0 333.428 3.581 20 0 EHADRM CSc1ccc(NC(=O)[C@H]2CCCCCC(=O)C2)cc1C(=O)[O-] ZINC001599816544 988435069 /nfs/dbraw/zinc/43/50/69/988435069.db2.gz ZCMUFJKFGXVTTA-NSHDSACASA-N -1 0 335.425 3.585 20 0 EHADRM CCc1cccc2c(CC(=O)Nc3scc(C(=O)[O-])c3C)c[nH]c21 ZINC001597603344 988465293 /nfs/dbraw/zinc/46/52/93/988465293.db2.gz WGLLSTRNBUYJFP-UHFFFAOYSA-N -1 0 342.420 3.980 20 0 EHADRM CSc1ccc(O)c(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC001599819823 988492457 /nfs/dbraw/zinc/49/24/57/988492457.db2.gz JELPLYZXBKRUGS-UHFFFAOYSA-N -1 0 337.784 3.718 20 0 EHADRM CCc1ccccc1OCCC(=O)N(CC1CC1)[C@](C)(CC)C(=O)[O-] ZINC001597616518 988539372 /nfs/dbraw/zinc/53/93/72/988539372.db2.gz MRTHJMGNKJADKZ-HXUWFJFHSA-N -1 0 347.455 3.510 20 0 EHADRM CCc1ccccc1OCCC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001597617138 988541455 /nfs/dbraw/zinc/54/14/55/988541455.db2.gz UOZVYBAWWVHQOI-UHFFFAOYSA-N -1 0 349.333 3.633 20 0 EHADRM CCc1ccccc1OCC(=O)O[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001597616918 988541899 /nfs/dbraw/zinc/54/18/99/988541899.db2.gz SWRIEIQCWNBFSH-QGZVFWFLSA-N -1 0 348.782 3.650 20 0 EHADRM CCc1cnc(CN(C)C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)s1 ZINC001597627533 988583827 /nfs/dbraw/zinc/58/38/27/988583827.db2.gz OVDNAYPJVVURNZ-UHFFFAOYSA-N -1 0 347.440 3.684 20 0 EHADRM CCc1cnc(CN[C@H](C(=O)[O-])c2ccc3ccccc3c2)s1 ZINC001597631363 988596659 /nfs/dbraw/zinc/59/66/59/988596659.db2.gz UTKURHOKJRVXFQ-KRWDZBQOSA-N -1 0 326.421 3.774 20 0 EHADRM CSc1ccccc1[C@@H](C)NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001599826037 988599706 /nfs/dbraw/zinc/59/97/06/988599706.db2.gz FBVKMDIBZSKXKB-RJCSOLBVSA-N -1 0 331.393 3.590 20 0 EHADRM CSc1ccsc1C(=O)N[C@@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC001599826707 988608758 /nfs/dbraw/zinc/60/87/58/988608758.db2.gz UQVUSRWOEIIEBP-CYBMUJFWSA-N -1 0 335.450 3.643 20 0 EHADRM CSc1nc2ccc(NC(=O)c3cc(C(=O)[O-])oc3C)cc2s1 ZINC001599827234 988615995 /nfs/dbraw/zinc/61/59/95/988615995.db2.gz AOJUSGDEDSQHHW-UHFFFAOYSA-N -1 0 348.405 3.870 20 0 EHADRM CSc1nc(C(C)C)nc(C)c1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001599827541 988620302 /nfs/dbraw/zinc/62/03/02/988620302.db2.gz KXJQMRKMRQFIDV-UHFFFAOYSA-N -1 0 345.424 3.581 20 0 EHADRM C[C@@H](C(=O)[O-])N(C)C(=O)/C=C/c1cccc(-c2ccc(Cl)cc2)c1 ZINC001599831230 988678457 /nfs/dbraw/zinc/67/84/57/988678457.db2.gz WSWNGSBQLBGVKM-VKUYVZBCSA-N -1 0 343.810 3.952 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)C[C@@H]1CCc2ccccc21 ZINC001599831642 988684666 /nfs/dbraw/zinc/68/46/66/988684666.db2.gz LDMNVZADAGAGQV-YJBOKZPZSA-N -1 0 337.419 3.608 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)Cc1c(F)cccc1Cl ZINC001599831842 988687208 /nfs/dbraw/zinc/68/72/08/988687208.db2.gz TUZFWMMARGTXOG-LBPRGKRZSA-N -1 0 349.789 3.524 20 0 EHADRM CCc1nc(C(C)C)ccc1C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001597652578 988699289 /nfs/dbraw/zinc/69/92/89/988699289.db2.gz PUOWQKWVASRGLS-AWEZNQCLSA-N -1 0 346.471 3.730 20 0 EHADRM CCc1nc(C(C)C)ccc1C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001597652579 988699311 /nfs/dbraw/zinc/69/93/11/988699311.db2.gz PUOWQKWVASRGLS-CQSZACIVSA-N -1 0 346.471 3.730 20 0 EHADRM C[C@@H](C(=O)OCCOc1ccc(/C=C\C(=O)[O-])cc1)c1ccccc1 ZINC001599833740 988712407 /nfs/dbraw/zinc/71/24/07/988712407.db2.gz UDZYTNXZNFANKK-HMVFGEFZSA-N -1 0 340.375 3.510 20 0 EHADRM C[C@@H](CC(=O)[O-])OC(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl ZINC001599833964 988715205 /nfs/dbraw/zinc/71/52/05/988715205.db2.gz WVTOPPVYWVNQEC-YAPUSRSVSA-N -1 0 336.693 3.778 20 0 EHADRM C[C@@H](CC(=O)[O-])OC(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC001599835638 988737953 /nfs/dbraw/zinc/73/79/53/988737953.db2.gz XKBDMSPDWXQEJR-VIFPVBQESA-N -1 0 331.349 3.576 20 0 EHADRM C[C@@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1cc2ccccc2o1 ZINC001599838107 988777668 /nfs/dbraw/zinc/77/76/68/988777668.db2.gz RCEYSAKLLQSUPB-GXMKHXEJSA-N -1 0 325.320 3.615 20 0 EHADRM C[C@@H](NC(=O)Cc1ccc(C(=O)[O-])cc1)c1ccc2c(c1)CCCC2 ZINC001599838390 988781770 /nfs/dbraw/zinc/78/17/70/988781770.db2.gz NBCMNMMVQLNZHZ-CQSZACIVSA-N -1 0 337.419 3.684 20 0 EHADRM CCc1nc(NC(=O)[C@H](OC(C)C)c2ccccc2)sc1C(=O)[O-] ZINC001597675456 988784354 /nfs/dbraw/zinc/78/43/54/988784354.db2.gz CVBWJVDXFSRSDT-CYBMUJFWSA-N -1 0 348.424 3.509 20 0 EHADRM CCc1nc(NC(=O)[C@]2(c3ccccc3)CC2(C)C)sc1C(=O)[O-] ZINC001597676054 988788521 /nfs/dbraw/zinc/78/85/21/988788521.db2.gz RAHWBAXHBIKKCU-GOSISDBHSA-N -1 0 344.436 3.710 20 0 EHADRM CCc1nc(NC(=O)c2cc(C)n(C(C)C)c2C)sc1C(=O)[O-] ZINC001597681381 988812801 /nfs/dbraw/zinc/81/28/01/988812801.db2.gz AQVWBLYVFTZVRD-UHFFFAOYSA-N -1 0 335.429 3.655 20 0 EHADRM CCc1nc(NC(=O)c2cc(C)c(Cl)cc2C)sc1C(=O)[O-] ZINC001597682080 988818377 /nfs/dbraw/zinc/81/83/77/988818377.db2.gz PLDSMUWEIOSLTN-UHFFFAOYSA-N -1 0 338.816 3.926 20 0 EHADRM CCc1nnc([C@H](C)SCc2cccc(C(=O)[O-])c2Cl)o1 ZINC001597730589 989048363 /nfs/dbraw/zinc/04/83/63/989048363.db2.gz WDVBJKARLXUJDU-QMMMGPOBSA-N -1 0 326.805 3.978 20 0 EHADRM CCc1nnc(S[C@@H](C(=O)[O-])c2c(F)cccc2Cl)s1 ZINC001597736070 989084852 /nfs/dbraw/zinc/08/48/52/989084852.db2.gz QRMUUMIXOLPPRD-SNVBAGLBSA-N -1 0 332.809 3.811 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN[C@@H](c1nc(C)cs1)C(F)(F)F ZINC001597767811 989226116 /nfs/dbraw/zinc/22/61/16/989226116.db2.gz WSRUOBNGCLVSOY-NSHDSACASA-N -1 0 348.346 3.698 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)C1CCC(C(F)(F)F)CC1 ZINC001597767756 989226494 /nfs/dbraw/zinc/22/64/94/989226494.db2.gz GWSLZVKQICYQQV-UHFFFAOYSA-N -1 0 348.317 3.952 20 0 EHADRM CCc1oc2ccccc2c1CC(=O)Nc1ccccc1CC(=O)[O-] ZINC001597808072 989422717 /nfs/dbraw/zinc/42/27/17/989422717.db2.gz RSSRQQADKARVHR-UHFFFAOYSA-N -1 0 337.375 3.804 20 0 EHADRM CC(C)(C)OC(=O)Nc1cccc2c1N(CCCCC(=O)[O-])CC2 ZINC001590318441 989748265 /nfs/dbraw/zinc/74/82/65/989748265.db2.gz DVZXXJOMHAIRBR-UHFFFAOYSA-N -1 0 334.416 3.651 20 0 EHADRM CCn1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)c1C ZINC001597903306 989783016 /nfs/dbraw/zinc/78/30/16/989783016.db2.gz YZYWDRXNWQMREA-UHFFFAOYSA-N -1 0 330.384 3.554 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)Nc2ccc(F)cc2C(=O)[O-])cc1 ZINC001590410438 989952209 /nfs/dbraw/zinc/95/22/09/989952209.db2.gz WRYLIZCQOBSBIR-UHFFFAOYSA-N -1 0 331.343 3.954 20 0 EHADRM CC(C)(C)Sc1ccc(NC(=O)CCSCC(=O)[O-])cc1F ZINC001590434863 989993585 /nfs/dbraw/zinc/99/35/85/989993585.db2.gz MMFYNEMAQHBTBH-UHFFFAOYSA-N -1 0 345.461 3.863 20 0 EHADRM CC(C)(C)c1cc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])no1 ZINC001590453993 990019474 /nfs/dbraw/zinc/01/94/74/990019474.db2.gz HWYQQFMKBXDNGK-OAHLLOKOSA-N -1 0 344.411 3.554 20 0 EHADRM CC(C)(C)c1ccc(/C=C/C(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC001590480226 990061971 /nfs/dbraw/zinc/06/19/71/990061971.db2.gz QMMRQMLZSGWIFV-FMIVXFBMSA-N -1 0 329.440 3.901 20 0 EHADRM CC(C)(C)c1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)nc1 ZINC001590481956 990077803 /nfs/dbraw/zinc/07/78/03/990077803.db2.gz XTMWQELERNLTJE-UHFFFAOYSA-N -1 0 332.787 3.983 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)cc1F ZINC001590492486 990091866 /nfs/dbraw/zinc/09/18/66/990091866.db2.gz CCZRTQXFMQLCEW-WNCDQNTKSA-N -1 0 348.418 3.744 20 0 EHADRM CN(C(=O)[C@H](OCC1CCCC1)c1ccccc1)C(C)(C)CC(=O)[O-] ZINC001597991675 990097005 /nfs/dbraw/zinc/09/70/05/990097005.db2.gz SMQUTUMFLBQERA-GOSISDBHSA-N -1 0 347.455 3.646 20 0 EHADRM CC(C)(C)c1cnc(COc2c(C(=O)[O-])cncc2C(F)(F)F)o1 ZINC001590515923 990132706 /nfs/dbraw/zinc/13/27/06/990132706.db2.gz PNZCMFTVTXJNEP-UHFFFAOYSA-N -1 0 344.289 3.663 20 0 EHADRM CN(C(=O)CC(C)(C)C)[C@@H](C(=O)[O-])c1ccc(Br)s1 ZINC001598006918 990162693 /nfs/dbraw/zinc/16/26/93/990162693.db2.gz BZIXKDWNNTZPHS-LLVKDONJSA-N -1 0 348.262 3.531 20 0 EHADRM CN(C(=O)C[C@H]1C=CCC1)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598008335 990170956 /nfs/dbraw/zinc/17/09/56/990170956.db2.gz VQDRBNVXXKFOSM-ZUZCIYMTSA-N -1 0 342.222 3.934 20 0 EHADRM CC(C)(C)c1ncc(C(=O)Nc2c(F)ccc(F)c2C(=O)[O-])s1 ZINC001590550337 990188524 /nfs/dbraw/zinc/18/85/24/990188524.db2.gz DASZOBJRAJCFRO-UHFFFAOYSA-N -1 0 340.351 3.669 20 0 EHADRM CC(C)(C)n1ncc2c1ncnc2Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001590605257 990273035 /nfs/dbraw/zinc/27/30/35/990273035.db2.gz UQZZMGNYUPVQLH-UHFFFAOYSA-N -1 0 346.774 3.725 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(Nc2ccccc2)cn1 ZINC001590636801 990324779 /nfs/dbraw/zinc/32/47/79/990324779.db2.gz OYUMNBMXVYDEKY-UHFFFAOYSA-N -1 0 327.384 3.655 20 0 EHADRM CN(C(=O)c1cc(C2CC2)[nH]c1C1CC1)C1(C(=O)[O-])CCCCC1 ZINC001598076985 990381123 /nfs/dbraw/zinc/38/11/23/990381123.db2.gz BRFVWHJFJCDNSW-UHFFFAOYSA-N -1 0 330.428 3.629 20 0 EHADRM CC(C)(CCNC(=O)N[C@H]1CCCC[C@@H]1c1ccccc1)C(=O)[O-] ZINC001590679976 990392845 /nfs/dbraw/zinc/39/28/45/990392845.db2.gz NNNLKNQCFFQMBH-CVEARBPZSA-N -1 0 332.444 3.513 20 0 EHADRM CN(C(=O)c1ccc(C(F)(F)F)s1)c1ccccc1C(=O)[O-] ZINC001598082725 990401985 /nfs/dbraw/zinc/40/19/85/990401985.db2.gz FKBYHRMXRBCWNG-UHFFFAOYSA-N -1 0 329.299 3.742 20 0 EHADRM CN(C(=O)c1ccc(C(C)(F)F)cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001598082744 990402034 /nfs/dbraw/zinc/40/20/34/990402034.db2.gz GKWYYOBSSHBBAQ-UHFFFAOYSA-N -1 0 349.333 3.538 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])o1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001598083394 990410745 /nfs/dbraw/zinc/41/07/45/990410745.db2.gz WKXGPJYSMVCDIZ-UHFFFAOYSA-N -1 0 347.676 3.927 20 0 EHADRM CN(C(=O)c1ccccc1CC(C)(C)C)c1ncc(C(=O)[O-])s1 ZINC001598094012 990444831 /nfs/dbraw/zinc/44/48/31/990444831.db2.gz WXBBVDSVXHHGAZ-UHFFFAOYSA-N -1 0 332.425 3.707 20 0 EHADRM CC(C)(CNC(=O)/C=C/c1cc(Cl)cc(Cl)c1)CC(=O)[O-] ZINC001590707800 990454210 /nfs/dbraw/zinc/45/42/10/990454210.db2.gz COFUDIHIZGBIOF-ONEGZZNKSA-N -1 0 330.211 3.624 20 0 EHADRM CN(C(=O)c1sc2ncccc2c1Cl)c1ccccc1C(=O)[O-] ZINC001598104708 990484043 /nfs/dbraw/zinc/48/40/43/990484043.db2.gz UXEILDUGXHNBEP-UHFFFAOYSA-N -1 0 346.795 3.925 20 0 EHADRM CC(C)(C)C1CCC(CNC(=O)NCC(C)(C)CC(=O)[O-])CC1 ZINC001590721678 990494072 /nfs/dbraw/zinc/49/40/72/990494072.db2.gz AYJALXMLFONFPX-UHFFFAOYSA-N -1 0 326.481 3.639 20 0 EHADRM CC(C)(CNC(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccccc1 ZINC001590726812 990522362 /nfs/dbraw/zinc/52/23/62/990522362.db2.gz DKTGIJRPIXNGBU-UHFFFAOYSA-N -1 0 330.359 3.623 20 0 EHADRM CC(C)(CNC(=O)Nc1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC001590727018 990523952 /nfs/dbraw/zinc/52/39/52/990523952.db2.gz QFUQIZRMJPLSDJ-UHFFFAOYSA-N -1 0 338.713 3.591 20 0 EHADRM CC(C)(CNC(=O)c1c(Cl)cc(Cl)cc1Cl)CC(=O)[O-] ZINC001590743309 990540886 /nfs/dbraw/zinc/54/08/86/990540886.db2.gz GRYJEAIFULZFEK-UHFFFAOYSA-N -1 0 338.618 3.878 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000073838030 1015572992 /nfs/dbraw/zinc/57/29/92/1015572992.db2.gz CODCXVKMVOWJOJ-UHFFFAOYSA-N -1 0 337.363 3.723 20 0 EHADRM CC(C)(Cc1ccc(Cl)cc1Cl)Nc1cnc(C(=O)[O-])cn1 ZINC001590821887 990660366 /nfs/dbraw/zinc/66/03/66/990660366.db2.gz HVQAYOVPUWMFPJ-UHFFFAOYSA-N -1 0 340.210 3.915 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001590822000 990661410 /nfs/dbraw/zinc/66/14/10/990661410.db2.gz OLKODGZSCVVWSS-QGZVFWFLSA-N -1 0 331.456 3.653 20 0 EHADRM CC(C)(F)CCNC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001590833483 990687795 /nfs/dbraw/zinc/68/77/95/990687795.db2.gz GGKQOGPQFFTRQP-UHFFFAOYSA-N -1 0 348.374 3.563 20 0 EHADRM CC(C)(Nc1ccccc1)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001590880928 990799023 /nfs/dbraw/zinc/79/90/23/990799023.db2.gz NYKVAHYZGUONQS-DLBZAZTESA-N -1 0 338.407 3.704 20 0 EHADRM CC(C)(c1ccc(C(=O)OCC2(CC(=O)[O-])CC2)cc1)C(F)(F)F ZINC001590907105 990871692 /nfs/dbraw/zinc/87/16/92/990871692.db2.gz MAIIOVCSCHOJHM-UHFFFAOYSA-N -1 0 344.329 3.938 20 0 EHADRM CC(C)=C(C)C(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001590912548 990886792 /nfs/dbraw/zinc/88/67/92/990886792.db2.gz LEBHKBGXOOXLAB-OAHLLOKOSA-N -1 0 330.211 3.766 20 0 EHADRM CC(C)C(=O)c1ccc([C@@H](C)C(=O)OCc2ccc(C(=O)[O-])o2)cc1 ZINC001590948929 991003139 /nfs/dbraw/zinc/00/31/39/991003139.db2.gz GQBKAYRWAYBEPC-GFCCVEGCSA-N -1 0 344.363 3.663 20 0 EHADRM CC(C)[C@H](C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)c1ccc(F)cc1 ZINC001590952834 991017078 /nfs/dbraw/zinc/01/70/78/991017078.db2.gz LIWHDAGLFDMSKA-OXFYSEKESA-N -1 0 347.430 3.669 20 0 EHADRM COc1cccc2c1[C@H](C(=O)Nc1cc(C(=O)[O-])ccc1Cl)CC2 ZINC001599689771 991048717 /nfs/dbraw/zinc/04/87/17/991048717.db2.gz MSCVJJNEBWAKBS-GFCCVEGCSA-N -1 0 345.782 3.715 20 0 EHADRM CC(C)[C@H](C(=O)OCc1cccc(C(=O)[O-])n1)c1cccc(Cl)c1 ZINC001590961634 991060312 /nfs/dbraw/zinc/06/03/12/991060312.db2.gz UBRWQRTZCJDLIU-INIZCTEOSA-N -1 0 347.798 3.916 20 0 EHADRM COc1cccc2cc(C(=O)Nc3ccc([C@H](C)C(=O)[O-])cc3)oc21 ZINC001599692176 991087485 /nfs/dbraw/zinc/08/74/85/991087485.db2.gz KTWUXEBFXBVBAU-NSHDSACASA-N -1 0 339.347 3.882 20 0 EHADRM CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)c1ccc(C(=O)[O-])cc1F ZINC001590974737 991114847 /nfs/dbraw/zinc/11/48/47/991114847.db2.gz XIWKGPHBUVTFMM-SECBINFHSA-N -1 0 335.297 3.573 20 0 EHADRM COc1ccccc1C(C)(C)CNc1nc(Cl)c(C(=O)[O-])s1 ZINC001599696666 991159240 /nfs/dbraw/zinc/15/92/40/991159240.db2.gz BPMACNZKCIJFQX-UHFFFAOYSA-N -1 0 340.832 3.893 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001599697685 991172261 /nfs/dbraw/zinc/17/22/61/991172261.db2.gz LVLOORMFFDQWMC-FMIVXFBMSA-N -1 0 343.354 3.503 20 0 EHADRM COc1ccccc1[C@@H](CC(C)C)OC(=O)c1cc(C(=O)[O-])co1 ZINC001599697812 991174240 /nfs/dbraw/zinc/17/42/40/991174240.db2.gz IRADZERJSRARDT-OAHLLOKOSA-N -1 0 332.352 3.931 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1ccnc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001590988945 991191824 /nfs/dbraw/zinc/19/18/24/991191824.db2.gz QMWNBZNKRMMXFP-OAHLLOKOSA-N -1 0 346.814 3.603 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)C[C@H]1CCc2ccccc21 ZINC001598293845 991211835 /nfs/dbraw/zinc/21/18/35/991211835.db2.gz RYVICXKYHCBPET-CQSZACIVSA-N -1 0 338.407 3.509 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)N1CCCC[C@@H]1C1CCC1 ZINC001598294900 991222887 /nfs/dbraw/zinc/22/28/87/991222887.db2.gz QEAXZHZRAGGFBR-MRXNPFEDSA-N -1 0 345.443 3.637 20 0 EHADRM CN(C)c1cc(N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]23)cc(C(F)(F)F)c1 ZINC001598307735 991277084 /nfs/dbraw/zinc/27/70/84/991277084.db2.gz IJOTYUIGJXZNCN-NBLIUIFLSA-N -1 0 342.361 3.683 20 0 EHADRM CN(C)c1ccc(Cl)cc1NC(=O)c1ccccc1CCC(=O)[O-] ZINC001598321515 991322220 /nfs/dbraw/zinc/32/22/20/991322220.db2.gz AFHSBROIOOVXLI-UHFFFAOYSA-N -1 0 346.814 3.676 20 0 EHADRM CC(C)[C@H](OC(=O)[C@H]1C[C@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001591046580 991433695 /nfs/dbraw/zinc/43/36/95/991433695.db2.gz ALBUPJDXPMZASY-AGIUHOORSA-N -1 0 330.302 3.666 20 0 EHADRM CC(C)[C@H](OC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1)C(=O)[O-] ZINC001591046577 991433998 /nfs/dbraw/zinc/43/39/98/991433998.db2.gz AJDDTQPBGQITLY-LBPRGKRZSA-N -1 0 332.318 3.793 20 0 EHADRM COc1ccccc1[C@@H](C)NC(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001599718654 991499054 /nfs/dbraw/zinc/49/90/54/991499054.db2.gz PTWIQYNKOFNTCA-SECBINFHSA-N -1 0 348.424 3.954 20 0 EHADRM COc1ccccc1[C@H](C)NC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC001599719275 991508351 /nfs/dbraw/zinc/50/83/51/991508351.db2.gz IGHQTKMOJYYWBM-OLZOCXBDSA-N -1 0 342.395 3.766 20 0 EHADRM CC(C)[C@@H]1C[C@@H](C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)CCO1 ZINC001591071521 991528759 /nfs/dbraw/zinc/52/87/59/991528759.db2.gz CHETUFIYXALXIJ-CABZTGNLSA-N -1 0 343.782 3.567 20 0 EHADRM CC(C)[C@H]1CCC[C@@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC001591080775 991586957 /nfs/dbraw/zinc/58/69/57/991586957.db2.gz CVMBVZNNTQOMFH-WDEREUQCSA-N -1 0 340.370 3.999 20 0 EHADRM CC(C)[C@H]1CCC[C@@H](NC(=O)N2CCC(CCC(=O)[O-])CC2)CC1 ZINC001591081714 991593270 /nfs/dbraw/zinc/59/32/70/991593270.db2.gz KOJGQAMICAKBIP-DLBZAZTESA-N -1 0 338.492 3.878 20 0 EHADRM CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CCC(CCC(=O)[O-])CC2)CC1 ZINC001591081718 991593671 /nfs/dbraw/zinc/59/36/71/991593671.db2.gz KOJGQAMICAKBIP-IAGOWNOFSA-N -1 0 338.492 3.878 20 0 EHADRM CC(C)[C@H]1CCC[C@@H](NC(=O)NCCc2ccc(C(=O)[O-])cc2)CC1 ZINC001591081975 991595597 /nfs/dbraw/zinc/59/55/97/991595597.db2.gz OKTACTFUQQAKBC-FUHWJXTLSA-N -1 0 346.471 3.831 20 0 EHADRM CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)C1 ZINC001591082832 991602418 /nfs/dbraw/zinc/60/24/18/991602418.db2.gz ZDLYLPBOFDKDLQ-CRAIPNDOSA-N -1 0 344.455 3.667 20 0 EHADRM COc1cnc2ccccc2c1C(=O)Nc1scc(C(=O)[O-])c1C ZINC001599726113 991628160 /nfs/dbraw/zinc/62/81/60/991628160.db2.gz YBXWSRSPRUOFHL-UHFFFAOYSA-N -1 0 342.376 3.564 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)c2ccsc2CC(=O)[O-])c2ccccc21 ZINC001591092692 991646968 /nfs/dbraw/zinc/64/69/68/991646968.db2.gz CNJKGFWUTGEHNB-AWEZNQCLSA-N -1 0 329.421 3.775 20 0 EHADRM CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)CC(C)(C)CC(=O)[O-] ZINC001591094441 991672927 /nfs/dbraw/zinc/67/29/27/991672927.db2.gz LFZHZVXBOPGENY-KXBFYZLASA-N -1 0 331.456 3.953 20 0 EHADRM CC(C)[C@@H]1N(C(=O)/C=C\c2cc(C(=O)[O-])co2)CC12CCCCC2 ZINC001591099964 991717625 /nfs/dbraw/zinc/71/76/25/991717625.db2.gz SPBOKWUSUAXYFG-TUYSUELWSA-N -1 0 331.412 3.808 20 0 EHADRM CC(C)C[C@H](C(=O)NCC1(CC(=O)[O-])CCCC1)c1ccccc1 ZINC001591117984 991780367 /nfs/dbraw/zinc/78/03/67/991780367.db2.gz JZXSLNZDNIHPID-KRWDZBQOSA-N -1 0 331.456 3.968 20 0 EHADRM COc1nccc2c(N[C@H](C)c3ncc(C(=O)[O-])s3)cccc12 ZINC001599736726 991785674 /nfs/dbraw/zinc/78/56/74/991785674.db2.gz HXLDZXRCFFISPX-SECBINFHSA-N -1 0 329.381 3.571 20 0 EHADRM CC(C)C[C@@H](C)NC(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001591137733 991847104 /nfs/dbraw/zinc/84/71/04/991847104.db2.gz JTECJGHHAHDVHH-ZWNOBZJWSA-N -1 0 346.349 3.722 20 0 EHADRM CC(C)C[C@@H](C)OCCC(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001591137817 991848179 /nfs/dbraw/zinc/84/81/79/991848179.db2.gz DXHSTPWZMSPUFR-CYBMUJFWSA-N -1 0 344.411 3.713 20 0 EHADRM CN(C[C@@H]1CC1(C)C)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001598447888 991892883 /nfs/dbraw/zinc/89/28/83/991892883.db2.gz JYKCDOUOCSUDIN-GJZGRUSLSA-N -1 0 332.444 3.526 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1cc2c(cccc2C2CC2)[nH]1)C(=O)[O-] ZINC001591153608 991897526 /nfs/dbraw/zinc/89/75/26/991897526.db2.gz HKDKHDMWWSFFHO-CYBMUJFWSA-N -1 0 328.412 3.522 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1)C(=O)[O-] ZINC001591153787 991898903 /nfs/dbraw/zinc/89/89/03/991898903.db2.gz QVGLEKSELZGLBC-CQSZACIVSA-N -1 0 348.830 3.812 20 0 EHADRM CC(C)C[C@H]1CCCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC001591207051 992037831 /nfs/dbraw/zinc/03/78/31/992037831.db2.gz CARIBCVJSUGWOL-LLVKDONJSA-N -1 0 340.370 3.953 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)c1cccc(F)c1Sc1ccccc1 ZINC001598474508 992064553 /nfs/dbraw/zinc/06/45/53/992064553.db2.gz BBGKODOHPYXOMX-UHFFFAOYSA-N -1 0 347.411 3.914 20 0 EHADRM CC(C)CC[C@H](NC(=O)NCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC001591221663 992088298 /nfs/dbraw/zinc/08/82/98/992088298.db2.gz MEBULKFAFSEJAU-HNNXBMFYSA-N -1 0 340.851 3.981 20 0 EHADRM CC(C)CCCC(=O)N(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001591227992 992101854 /nfs/dbraw/zinc/10/18/54/992101854.db2.gz MQNBPQFNAPDQLO-HNNXBMFYSA-N -1 0 331.334 3.514 20 0 EHADRM CC(C)CCCCCC(=O)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001591237040 992120760 /nfs/dbraw/zinc/12/07/60/992120760.db2.gz VGWNWBIDFVCMHV-ZWKOTPCHSA-N -1 0 347.455 3.625 20 0 EHADRM CC(C)CCN(C)C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001591240306 992130436 /nfs/dbraw/zinc/13/04/36/992130436.db2.gz QKJFRKXRXGNPGB-CYBMUJFWSA-N -1 0 346.349 3.676 20 0 EHADRM CC(C)CCO[C@@H](C)C(=O)Nc1ccc(OC(C)C)cc1C(=O)[O-] ZINC001591256345 992154930 /nfs/dbraw/zinc/15/49/30/992154930.db2.gz IVYFIYRNFQRKBB-ZDUSSCGKSA-N -1 0 337.416 3.562 20 0 EHADRM CC(C)CCn1ccc(Nc2ncc(C(=O)[O-])cc2C(F)(F)F)n1 ZINC001591277543 992202803 /nfs/dbraw/zinc/20/28/03/992202803.db2.gz XBOWDSYAQKYQND-UHFFFAOYSA-N -1 0 342.321 3.785 20 0 EHADRM CC(C)CCn1ncc(N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@H]23)c1C(C)C ZINC001591277596 992203034 /nfs/dbraw/zinc/20/30/34/992203034.db2.gz YFVNNUOMSMGCQP-XUWVNRHRSA-N -1 0 333.476 3.964 20 0 EHADRM CC(C)CN(C(=O)Cc1ccc(C(F)(F)F)cc1)C(C)(C)C(=O)[O-] ZINC001591280175 992205687 /nfs/dbraw/zinc/20/56/87/992205687.db2.gz DOUGLIMLEBBJAQ-UHFFFAOYSA-N -1 0 345.361 3.596 20 0 EHADRM CC(C)CN(C(=O)[C@H](C)CC(=O)[O-])[C@H](C)c1ccccc1Cl ZINC001591281584 992216988 /nfs/dbraw/zinc/21/69/88/992216988.db2.gz UIICPMYDHJFUKH-CHWSQXEVSA-N -1 0 325.836 3.996 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CCCc1ccc(F)cc1 ZINC001591308941 992263883 /nfs/dbraw/zinc/26/38/83/992263883.db2.gz HJJVGBZMTIBFCS-UHFFFAOYSA-N -1 0 337.435 3.744 20 0 EHADRM COc1cccc(Oc2ccc(NC(=O)c3cncc(O)c3)cc2)c1 ZINC000339814004 1015697656 /nfs/dbraw/zinc/69/76/56/1015697656.db2.gz HUASPFXWTHNPTF-UHFFFAOYSA-N -1 0 336.347 3.840 20 0 EHADRM CC(C)CN(Cc1cccc(Cl)c1)C(=O)C12CC(C(=O)[O-])(C1)C2 ZINC001591344340 992331109 /nfs/dbraw/zinc/33/11/09/992331109.db2.gz XZQBCDAVYSAZAF-UHFFFAOYSA-N -1 0 335.831 3.580 20 0 EHADRM CN(CCc1cccs1)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001598501669 992443010 /nfs/dbraw/zinc/44/30/10/992443010.db2.gz XKNQGMVQYZUZKW-UHFFFAOYSA-N -1 0 343.408 3.634 20 0 EHADRM CC(C)COc1ncccc1C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC001591414313 992489488 /nfs/dbraw/zinc/48/94/88/992489488.db2.gz GFAWNVDGGBKXTC-CYBMUJFWSA-N -1 0 342.395 3.557 20 0 EHADRM CN(Cc1nc(C(=O)[O-])cs1)Cc1cc(Cl)cc(Cl)c1 ZINC001598507723 992528701 /nfs/dbraw/zinc/52/87/01/992528701.db2.gz UHLYXUOXYFIHCH-UHFFFAOYSA-N -1 0 331.224 3.780 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CCSCc1ccccc1 ZINC001598509979 992557736 /nfs/dbraw/zinc/55/77/36/992557736.db2.gz NEGGRKQFZZKUFX-UHFFFAOYSA-N -1 0 343.448 3.667 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)/C=C\Sc1ccccc1 ZINC001598510010 992558578 /nfs/dbraw/zinc/55/85/78/992558578.db2.gz OHWADBKPECRPPQ-QXMHVHEDSA-N -1 0 327.405 3.649 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC001598511508 992572021 /nfs/dbraw/zinc/57/20/21/992572021.db2.gz QOMKAYQFSLDTNX-RYQLBKOJSA-N -1 0 344.455 3.885 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1[nH]ccc1-c1ccccc1 ZINC001598511887 992573317 /nfs/dbraw/zinc/57/33/17/992573317.db2.gz BBBYEVNDYGHUOA-UHFFFAOYSA-N -1 0 334.375 3.652 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cc2ccccc2cc1O ZINC001598512325 992577560 /nfs/dbraw/zinc/57/75/60/992577560.db2.gz ZXSPDZCZXYAPOV-UHFFFAOYSA-N -1 0 335.359 3.516 20 0 EHADRM CC(C)C[C@H](Nc1nc2cccc(OC(F)F)c2s1)C(=O)[O-] ZINC001591471821 992586547 /nfs/dbraw/zinc/58/65/47/992586547.db2.gz VXQRPFXNFUEQNT-VIFPVBQESA-N -1 0 330.356 3.809 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)Cc1ncc(Cl)cc1Cl ZINC001598513958 992597842 /nfs/dbraw/zinc/59/78/42/992597842.db2.gz MMBZFSOPTFSZKA-UHFFFAOYSA-N -1 0 325.195 3.719 20 0 EHADRM CC(C)Cc1ccc(CC(=O)N[C@]2(C(=O)[O-])CCCC(C)(C)C2)cc1 ZINC001591483404 992603198 /nfs/dbraw/zinc/60/31/98/992603198.db2.gz DEDGDXLXBKJJMO-OAQYLSRUSA-N -1 0 345.483 3.967 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)c1 ZINC001591489160 992618535 /nfs/dbraw/zinc/61/85/35/992618535.db2.gz NILYCCIORKKESV-MGPUTAFESA-N -1 0 331.456 3.702 20 0 EHADRM CN(Cc1ccc(Cl)c(F)c1)c1nc(Cl)c(C(=O)[O-])s1 ZINC001598518277 992645649 /nfs/dbraw/zinc/64/56/49/992645649.db2.gz XCQPRTGAOSTUHU-UHFFFAOYSA-N -1 0 335.187 3.924 20 0 EHADRM CN(Cc1ccc(N[C@H]2CC[C@H](C(=O)[O-])C2)cc1)C(=O)OC(C)(C)C ZINC001598519095 992656573 /nfs/dbraw/zinc/65/65/73/992656573.db2.gz IIKABYXPMKZENK-HOCLYGCPSA-N -1 0 348.443 3.719 20 0 EHADRM CC(C)Cn1ccc(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])n1 ZINC001591523514 992697811 /nfs/dbraw/zinc/69/78/11/992697811.db2.gz NYUAZWAAYFQSQV-UHFFFAOYSA-N -1 0 329.400 3.613 20 0 EHADRM CC(C)N(C(=O)c1cccc(CC(=O)[O-])c1)c1cnc2ccccc2c1 ZINC001591542634 992723175 /nfs/dbraw/zinc/72/31/75/992723175.db2.gz MYOIPZMBXMBFRW-UHFFFAOYSA-N -1 0 348.402 3.917 20 0 EHADRM CN(Cc1ccccc1)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001598527596 992740570 /nfs/dbraw/zinc/74/05/70/992740570.db2.gz VHFCWZUDLPUSOP-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001591600372 992831476 /nfs/dbraw/zinc/83/14/76/992831476.db2.gz MZILNBCBOAULEP-BETUJISGSA-N -1 0 343.345 3.553 20 0 EHADRM CC(C)N(Cc1ccccc1F)C(=O)c1cccc(CC(=O)[O-])c1 ZINC001591603797 992837480 /nfs/dbraw/zinc/83/74/80/992837480.db2.gz RUJJCEADEOOYGH-UHFFFAOYSA-N -1 0 329.371 3.504 20 0 EHADRM CN(Cc1nc(C(=O)[O-])cs1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001598536361 992844394 /nfs/dbraw/zinc/84/43/94/992844394.db2.gz FZGIYPKKVRHSER-GJZGRUSLSA-N -1 0 346.452 3.519 20 0 EHADRM COc1ccc(N(C)C(=O)Nc2cc(C)cc(C(=O)[O-])c2)cc1F ZINC001599582530 993570643 /nfs/dbraw/zinc/57/06/43/993570643.db2.gz BTLSJPMHRXUBMV-UHFFFAOYSA-N -1 0 332.331 3.509 20 0 EHADRM COc1ccc(NC(=O)C[C@@H]2C[C@H]2Cc2ccccc2)c(C(=O)[O-])c1 ZINC001599591955 993696070 /nfs/dbraw/zinc/69/60/70/993696070.db2.gz PVKKYHUPIPFJQU-CABCVRRESA-N -1 0 339.391 3.601 20 0 EHADRM C[C@@H](NC(=O)NCC1(CC(=O)[O-])CCCC1)[C@H](C)c1ccccc1 ZINC001593089402 993706453 /nfs/dbraw/zinc/70/64/53/993706453.db2.gz VOQWMAMLVRHZTI-LSDHHAIUSA-N -1 0 332.444 3.513 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)C1CCC(F)(F)CC1 ZINC001593115668 993802765 /nfs/dbraw/zinc/80/27/65/993802765.db2.gz PWBDGXDXBAAOLE-SECBINFHSA-N -1 0 344.333 3.859 20 0 EHADRM COc1ccc(OCCSCc2ccc(C(=O)[O-])cc2F)cc1 ZINC001599606922 993898781 /nfs/dbraw/zinc/89/87/81/993898781.db2.gz QWVRRQVVQSKHQY-UHFFFAOYSA-N -1 0 336.384 3.845 20 0 EHADRM COc1ccc([C@@H](C)OC(=O)CCc2ccc(C(=O)[O-])cc2)cc1C ZINC001599620222 994070421 /nfs/dbraw/zinc/07/04/21/994070421.db2.gz JCYCHNPQICSTNX-CQSZACIVSA-N -1 0 342.391 3.939 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2C(=O)Nc2sc(C)c(C)c2C(=O)[O-])cc1 ZINC001599620531 994074293 /nfs/dbraw/zinc/07/42/93/994074293.db2.gz LJFDIQKCYYXAIS-UONOGXRCSA-N -1 0 345.420 3.814 20 0 EHADRM COc1ccc2[nH]c(C(=O)Nc3sc(C)c(C)c3C(=O)[O-])cc2c1 ZINC001599623094 994111554 /nfs/dbraw/zinc/11/15/54/994111554.db2.gz SWPQVLSAMICPAK-UHFFFAOYSA-N -1 0 344.392 3.805 20 0 EHADRM C[C@@H](N[C@@H](C)c1ccccc1OCC(=O)[O-])c1cccc(F)c1F ZINC001593197293 994162533 /nfs/dbraw/zinc/16/25/33/994162533.db2.gz JIMROIBLLCOJDY-NWDGAFQWSA-N -1 0 335.350 3.840 20 0 EHADRM COc1ccc2c(c1)CCC[C@@H]2CNc1ncc(C(=O)[O-])cc1Cl ZINC001599628552 994183679 /nfs/dbraw/zinc/18/36/79/994183679.db2.gz NUBIFGCMHFWOAU-GFCCVEGCSA-N -1 0 346.814 3.974 20 0 EHADRM COc1ccc2cc(COC(=O)c3ccc(C(=O)[O-])cc3)ccc2c1 ZINC001599634472 994267237 /nfs/dbraw/zinc/26/72/37/994267237.db2.gz NYSUARXIQMNBPM-UHFFFAOYSA-N -1 0 336.343 3.904 20 0 EHADRM COc1ccc2cc(C(=O)Nc3ccc(C)c(C)c3C(=O)[O-])[nH]c2c1 ZINC001599636249 994292783 /nfs/dbraw/zinc/29/27/83/994292783.db2.gz KEUUHMHPMCRKIO-UHFFFAOYSA-N -1 0 338.363 3.744 20 0 EHADRM C[C@@H](N[C@H]1CCCc2ccc(C(=O)[O-])cc21)c1c(F)cncc1F ZINC001593219671 994303647 /nfs/dbraw/zinc/30/36/47/994303647.db2.gz PCNCWMPEVFRWBN-HWPZZCPQSA-N -1 0 332.350 3.786 20 0 EHADRM COc1cccc(-c2nc(CSc3nc(C(=O)[O-])c[nH]3)cs2)c1 ZINC001599638676 994327014 /nfs/dbraw/zinc/32/70/14/994327014.db2.gz FLPURSFYVIRALW-UHFFFAOYSA-N -1 0 347.421 3.532 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)[C@H](C)c1ccc(Cl)cc1 ZINC001599645241 994416593 /nfs/dbraw/zinc/41/65/93/994416593.db2.gz ICAXFUKYWFPQMB-LLVKDONJSA-N -1 0 347.798 3.813 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1scc(C)c1Cl ZINC001599645652 994420873 /nfs/dbraw/zinc/42/08/73/994420873.db2.gz FKKGIZGSRFULBL-UHFFFAOYSA-N -1 0 326.757 3.636 20 0 EHADRM COc1cccc([C@@H](N[C@@H](C(F)F)C2CCCCC2)C(=O)[O-])c1 ZINC001599656428 994588483 /nfs/dbraw/zinc/58/84/83/994588483.db2.gz HNVASLPNKMRIPX-HUUCEWRRSA-N -1 0 327.371 3.625 20 0 EHADRM C[C@@H](NCc1cc(C(=O)[O-])no1)c1cccc(SC(F)(F)F)c1 ZINC001593289422 994663508 /nfs/dbraw/zinc/66/35/08/994663508.db2.gz SRAWSXZKOWECQV-MRVPVSSYSA-N -1 0 346.330 3.836 20 0 EHADRM COc1cccc([C@H](Sc2ncnc3sc(C)cc32)C(=O)[O-])c1 ZINC001599661846 994667913 /nfs/dbraw/zinc/66/79/13/994667913.db2.gz RHGYUPDZWMRIAP-ZDUSSCGKSA-N -1 0 346.433 3.926 20 0 EHADRM C[C@@](NCc1ccc(Cl)nc1Cl)(C(=O)[O-])c1ccc(F)cc1 ZINC001593298851 994718531 /nfs/dbraw/zinc/71/85/31/994718531.db2.gz NWQPAPMGWOPNMB-HNNXBMFYSA-N -1 0 343.185 3.617 20 0 EHADRM COc1cccc(CC(=O)[O-])c1OCc1cc(-c2ccccc2)on1 ZINC001599665323 994720782 /nfs/dbraw/zinc/72/07/82/994720782.db2.gz PEBDDCXYZXSHLF-UHFFFAOYSA-N -1 0 339.347 3.556 20 0 EHADRM COc1cccc(NC(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)c1 ZINC001599676360 994903369 /nfs/dbraw/zinc/90/33/69/994903369.db2.gz JEJDKYYSZUZRBJ-UHFFFAOYSA-N -1 0 344.367 3.825 20 0 EHADRM CNc1ccccc1C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001598680660 994922688 /nfs/dbraw/zinc/92/26/88/994922688.db2.gz RBIMTDKLFDFECQ-UHFFFAOYSA-N -1 0 330.409 3.547 20 0 EHADRM C[C@@H](Nc1cc(-c2ccccc2)ncn1)c1ccc(OCC(=O)[O-])cc1 ZINC001593359355 995014757 /nfs/dbraw/zinc/01/47/57/995014757.db2.gz CETHSKMAICEUNZ-CQSZACIVSA-N -1 0 349.390 3.780 20 0 EHADRM C[C@H](c1ccccc1C(F)(F)F)[C@H](C)Nc1nccc(C(=O)[O-])n1 ZINC001593373458 995067492 /nfs/dbraw/zinc/06/74/92/995067492.db2.gz FFPZDROHOYGZOW-UWVGGRQHSA-N -1 0 339.317 3.798 20 0 EHADRM COC(=O)[C@@H](N[C@@H](C)c1cccc(C)c1C)c1cccc(C(=O)[O-])c1 ZINC001598705817 995284899 /nfs/dbraw/zinc/28/48/99/995284899.db2.gz IAROWBHQLSCRJQ-KSSFIOAISA-N -1 0 341.407 3.567 20 0 EHADRM C[C@H](OC(=O)C1(Cc2ccccc2F)CC1)c1ccc(C(=O)[O-])o1 ZINC001593496027 995472411 /nfs/dbraw/zinc/47/24/11/995472411.db2.gz GDZHJUXTTIFRTB-NSHDSACASA-N -1 0 332.327 3.744 20 0 EHADRM C[C@@H](OC(=O)C1(c2ccc(F)cc2)CCC1)c1cc(C(=O)[O-])co1 ZINC001593496827 995477101 /nfs/dbraw/zinc/47/71/01/995477101.db2.gz PCCUAENALIITET-LLVKDONJSA-N -1 0 332.327 3.843 20 0 EHADRM C[C@@H](OC(=O)Cc1cc(Cl)ccc1Cl)c1nc(C(=O)[O-])co1 ZINC001593534696 995591204 /nfs/dbraw/zinc/59/12/04/995591204.db2.gz HDSQGQGIYZLSIO-SSDOTTSWSA-N -1 0 344.150 3.527 20 0 EHADRM C[C@@H](OC(=O)c1cc(Cl)nc(Cl)c1)c1cc(C(=O)[O-])co1 ZINC001593566427 995662589 /nfs/dbraw/zinc/66/25/89/995662589.db2.gz ZAESLBFCBFYHDP-ZCFIWIBFSA-N -1 0 330.123 3.598 20 0 EHADRM C[C@@H](OC(=O)c1cccc(C(F)F)c1F)c1ccc(C(=O)[O-])o1 ZINC001593586462 995709647 /nfs/dbraw/zinc/70/96/47/995709647.db2.gz WQLNNOUOOHAPIA-SSDOTTSWSA-N -1 0 328.242 3.973 20 0 EHADRM C[C@@H](OC(=O)c1ccsc1CC(=O)[O-])c1cc(F)ccc1F ZINC001593598063 995742907 /nfs/dbraw/zinc/74/29/07/995742907.db2.gz TZQYMAFYHNMKLH-MRVPVSSYSA-N -1 0 326.320 3.571 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)NC2CCCCCC2)cc1F)C(=O)[O-] ZINC001593628750 995904781 /nfs/dbraw/zinc/90/47/81/995904781.db2.gz HHEDCAXJXISDFD-NSHDSACASA-N -1 0 338.379 3.522 20 0 EHADRM C[C@@H](Oc1ccc(NC(=O)c2ccsc2Cl)cc1F)C(=O)[O-] ZINC001593634199 995925141 /nfs/dbraw/zinc/92/51/41/995925141.db2.gz NNAXPVBRIXZYSD-SSDOTTSWSA-N -1 0 343.763 3.645 20 0 EHADRM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC001593635727 995933367 /nfs/dbraw/zinc/93/33/67/995933367.db2.gz YWXNMZHZFZYUHX-CQSZACIVSA-N -1 0 347.455 3.513 20 0 EHADRM CC(C)c1cccc(O[C@H](C)C(=O)NC2(C(=O)[O-])CCCCCC2)c1 ZINC001593636981 995939343 /nfs/dbraw/zinc/93/93/43/995939343.db2.gz ZEANCCNPFJPNIF-OAHLLOKOSA-N -1 0 347.455 3.871 20 0 EHADRM C[C@H](Oc1cccc2ccccc21)C(=O)OCc1occc1C(=O)[O-] ZINC001593640662 995947176 /nfs/dbraw/zinc/94/71/76/995947176.db2.gz MRLSSCZYJFBRIC-LBPRGKRZSA-N -1 0 340.331 3.642 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC001593663346 996044661 /nfs/dbraw/zinc/04/46/61/996044661.db2.gz LPYUSKZUSHSBPF-ZDUSSCGKSA-N -1 0 341.432 3.596 20 0 EHADRM C[C@@H](Sc1ccc(C(=O)[O-])cc1)C(=O)N1CCCc2ccccc21 ZINC001593664104 996049008 /nfs/dbraw/zinc/04/90/08/996049008.db2.gz HFUQXHQGXLQVKY-CYBMUJFWSA-N -1 0 341.432 3.845 20 0 EHADRM C[C@H](Sc1ccc(C(=O)[O-])cc1)C(=O)N1c2ccccc2C[C@H]1C ZINC001593664413 996051165 /nfs/dbraw/zinc/05/11/65/996051165.db2.gz RSHPBCLXMYDIGV-OLZOCXBDSA-N -1 0 341.432 3.843 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)N(C)C1(C(=O)[O-])CCCC1 ZINC001593673265 996082901 /nfs/dbraw/zinc/08/29/01/996082901.db2.gz IIHODDQWLOUGKU-LLVKDONJSA-N -1 0 341.860 3.676 20 0 EHADRM C[C@@H](Sc1ncc(C(=O)[O-])cn1)c1ccc(OC(F)(F)F)cc1 ZINC001593679167 996098240 /nfs/dbraw/zinc/09/82/40/996098240.db2.gz GEEBUIXUOQEXSV-MRVPVSSYSA-N -1 0 344.314 3.927 20 0 EHADRM C[C@@H](Sc1nc2ccccc2n1C(F)F)C(=O)C(C)(C)C(=O)[O-] ZINC001593679653 996102319 /nfs/dbraw/zinc/10/23/19/996102319.db2.gz NXTIZJDGUDMIND-MRVPVSSYSA-N -1 0 342.367 3.592 20 0 EHADRM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)c1ccnc(C(=O)[O-])n1 ZINC001593694465 996150675 /nfs/dbraw/zinc/15/06/75/996150675.db2.gz VGBLSIWWDYREPG-QMMMGPOBSA-N -1 0 326.183 3.679 20 0 EHADRM C[C@H](c1ccc2c(c1)CCC2)[S@@](=O)CCc1ccccc1C(=O)[O-] ZINC001593698677 996166579 /nfs/dbraw/zinc/16/65/79/996166579.db2.gz HRQTXKJPDXQNGX-SHACYNPGSA-N -1 0 342.460 3.926 20 0 EHADRM C[C@@H](c1ccccc1)N(C(=O)c1cc(C(=O)[O-])on1)C1CCCC1 ZINC001593706277 996196021 /nfs/dbraw/zinc/19/60/21/996196021.db2.gz OWANQZOKYKGAFX-LBPRGKRZSA-N -1 0 328.368 3.519 20 0 EHADRM C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Cc1cccc(C(=O)[O-])c1 ZINC001593707746 996202677 /nfs/dbraw/zinc/20/26/77/996202677.db2.gz ZDFPZTIDFWQLTL-DNVCBOLYSA-N -1 0 337.419 3.722 20 0 EHADRM C[C@H](c1ccccc1Cl)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001593712581 996215418 /nfs/dbraw/zinc/21/54/18/996215418.db2.gz CZSKNJIYQCRVAW-GFCCVEGCSA-N -1 0 331.799 3.994 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1CC1 ZINC001593714311 996229662 /nfs/dbraw/zinc/22/96/62/996229662.db2.gz WNHBRHAIERAPDE-FRRDWIJNSA-N -1 0 335.831 3.893 20 0 EHADRM Cc1cccc(C2(CNC(=O)CC(C)(C)CC(=O)[O-])CCCC2)c1 ZINC000683302797 1016017678 /nfs/dbraw/zinc/01/76/78/1016017678.db2.gz WMFUDKDRYHDTHM-UHFFFAOYSA-N -1 0 331.456 3.814 20 0 EHADRM C[C@H](c1nc(C(=O)[O-])co1)N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC001593724799 996270255 /nfs/dbraw/zinc/27/02/55/996270255.db2.gz JFGOGPFBQKQQNG-LLVKDONJSA-N -1 0 348.349 3.891 20 0 EHADRM C[C@H](c1ncc(C(=O)[O-])s1)N1CC(Cc2ccc(Cl)cc2)C1 ZINC001593730867 996297679 /nfs/dbraw/zinc/29/76/79/996297679.db2.gz AIERLAYXGUOCDC-SNVBAGLBSA-N -1 0 336.844 3.730 20 0 EHADRM C[C@H](c1ncc(C(=O)[O-])s1)N1CCC[C@](F)(c2ccccc2)C1 ZINC001593732089 996307744 /nfs/dbraw/zinc/30/77/44/996307744.db2.gz NOJFFLBTEQRGGS-SJKOYZFVSA-N -1 0 334.416 3.863 20 0 EHADRM C[C@@H](c1ncc(C(=O)[O-])s1)N1CCC[C@](F)(c2ccccc2)C1 ZINC001593732090 996308308 /nfs/dbraw/zinc/30/83/08/996308308.db2.gz NOJFFLBTEQRGGS-YVEFUNNKSA-N -1 0 334.416 3.863 20 0 EHADRM CCCS(=O)(=O)[N-][C@@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000180702213 1016026758 /nfs/dbraw/zinc/02/67/58/1016026758.db2.gz VKGSKTUQWXWRMO-JTQLQIEISA-N -1 0 349.296 3.638 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2ccc3ccnc(Cl)c3c2)C1 ZINC001593770871 996461630 /nfs/dbraw/zinc/46/16/30/996461630.db2.gz HKZUCWIXUQTCTH-QGZVFWFLSA-N -1 0 347.802 3.607 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2ccc(F)cc2C(F)(F)F)C1 ZINC001593771743 996466627 /nfs/dbraw/zinc/46/66/27/996466627.db2.gz XMZHYRPFPTZSAS-CQSZACIVSA-N -1 0 348.296 3.563 20 0 EHADRM CC1(C)CC(C)(C)c2cc(NC(=O)N3CC[C@@](C)(C(=O)[O-])C3)ccc21 ZINC001593792511 996509224 /nfs/dbraw/zinc/50/92/24/996509224.db2.gz HPOXGPNWQHKBPO-HXUWFJFHSA-N -1 0 344.455 3.974 20 0 EHADRM C[C@]1(C(F)(F)F)CCN(C(=O)Nc2cccc(CCC(=O)[O-])c2)C1 ZINC001593816133 996553199 /nfs/dbraw/zinc/55/31/99/996553199.db2.gz HSMHBKYGWSQBBF-HNNXBMFYSA-N -1 0 344.333 3.510 20 0 EHADRM CC1(C)CC(=O)c2cnc(S[C@@H](C(=O)[O-])c3ccsc3)nc2C1 ZINC001593846922 996611532 /nfs/dbraw/zinc/61/15/32/996611532.db2.gz BWHBCPFRBPTMIR-CYBMUJFWSA-N -1 0 348.449 3.611 20 0 EHADRM CC1(C)C[C@@H](NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c2ccccc21 ZINC001593856260 996641681 /nfs/dbraw/zinc/64/16/81/996641681.db2.gz AIQBNLBSNDPCCN-WMLDXEAASA-N -1 0 344.455 3.695 20 0 EHADRM CC1(C)C[C@H](OC(=O)/C=C/c2ccc(C(=O)[O-])o2)c2ccccc2O1 ZINC001593862192 996659714 /nfs/dbraw/zinc/65/97/14/996659714.db2.gz WSCKJDLGYSFEHM-DZZUKKPASA-N -1 0 342.347 3.837 20 0 EHADRM CC1(C)C[C@]1(CNC(=O)c1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC001593864767 996669295 /nfs/dbraw/zinc/66/92/95/996669295.db2.gz GOJGAWNTWYSYRQ-FQEVSTJZSA-N -1 0 341.382 3.622 20 0 EHADRM CC1(C)CC=C(C(=O)N[C@H](Cc2cc3ccccc3o2)C(=O)[O-])CC1 ZINC001593870844 996681849 /nfs/dbraw/zinc/68/18/49/996681849.db2.gz HLIOIXBJCBKJPB-MRXNPFEDSA-N -1 0 341.407 3.681 20 0 EHADRM CC1(C)CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C2CC2)[C@@H](c2ccccc2)C1 ZINC001593874090 996687518 /nfs/dbraw/zinc/68/75/18/996687518.db2.gz FCCVGNALMARFQM-KSZLIROESA-N -1 0 343.467 3.966 20 0 EHADRM CC1(C)CCC(CC(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)CC1 ZINC001593874440 996690691 /nfs/dbraw/zinc/69/06/91/996690691.db2.gz UFPOALYFGZIVGM-MRXNPFEDSA-N -1 0 339.382 3.813 20 0 EHADRM CC1(C)CC[C@H](C(=O)Nc2cccc(C(=O)[O-])c2Br)C1 ZINC001593874596 996691195 /nfs/dbraw/zinc/69/11/95/996691195.db2.gz NPPYYSBKKSLFDT-VIFPVBQESA-N -1 0 340.217 3.912 20 0 EHADRM CC1(C)CC[C@H](CC(=O)Nc2c(Cl)ccc(F)c2C(=O)[O-])OC1 ZINC001593877275 996699932 /nfs/dbraw/zinc/69/99/32/996699932.db2.gz XIYPJHIXVNXMKZ-SECBINFHSA-N -1 0 343.782 3.711 20 0 EHADRM CC1(C)CC[C@H](CNC(=O)c2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC001593877832 996701912 /nfs/dbraw/zinc/70/19/12/996701912.db2.gz HGKHBNNKNRNLHE-MRXNPFEDSA-N -1 0 337.419 3.970 20 0 EHADRM CC1(C)CCC(CNC(=O)NCc2ccc(C(=O)[O-])cc2F)CC1 ZINC001593878235 996703500 /nfs/dbraw/zinc/70/35/00/996703500.db2.gz OONICEYDTVFRMQ-UHFFFAOYSA-N -1 0 336.407 3.540 20 0 EHADRM CC1(C)CC[C@@H]1C(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001593883563 996716887 /nfs/dbraw/zinc/71/68/87/996716887.db2.gz KZAHURUUVNDJQK-SECBINFHSA-N -1 0 326.190 3.522 20 0 EHADRM CC1(C)CCc2cccc(NC(=O)/C=C\c3ccc(C(=O)[O-])o3)c2O1 ZINC001593915642 996811807 /nfs/dbraw/zinc/81/18/07/996811807.db2.gz AFUNWEJRRLPOQM-CLFYSBASSA-N -1 0 341.363 3.733 20 0 EHADRM COc1ccc(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)cc1C1CC1 ZINC001599485742 996845697 /nfs/dbraw/zinc/84/56/97/996845697.db2.gz KXFROGZODZXVFK-UHFFFAOYSA-N -1 0 347.317 3.801 20 0 EHADRM CC1(C)CN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)c2ccc(Cl)cc21 ZINC001593928910 996881268 /nfs/dbraw/zinc/88/12/68/996881268.db2.gz XKAGKBXJMWXHCK-UHFFFAOYSA-N -1 0 347.842 3.999 20 0 EHADRM COc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)cc1C ZINC001599487791 996882758 /nfs/dbraw/zinc/88/27/58/996882758.db2.gz FDGCJQAUQZCUQJ-UHFFFAOYSA-N -1 0 345.420 3.894 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2ccc(F)c(SC)c2)c1 ZINC001599490022 996921555 /nfs/dbraw/zinc/92/15/55/996921555.db2.gz JEORXCCQJXIJAV-UHFFFAOYSA-N -1 0 335.356 3.507 20 0 EHADRM COCC1(C(=O)Nc2cc(Cl)cc(Br)c2[O-])CCC1 ZINC000339963617 1016080329 /nfs/dbraw/zinc/08/03/29/1016080329.db2.gz JPKQHIWHFKBOQA-UHFFFAOYSA-N -1 0 348.624 3.563 20 0 EHADRM COCc1cc(NC(=O)N[C@]2(C)CCCC[C@H]2C)cc(C(=O)[O-])c1 ZINC001599286229 996983471 /nfs/dbraw/zinc/98/34/71/996983471.db2.gz OBTZZJJOMJJIDB-KZULUSFZSA-N -1 0 334.416 3.622 20 0 EHADRM COc1cc([C@H](C)Nc2cc(CC(=O)[O-])ccn2)ccc1OC(C)C ZINC001599389445 997006315 /nfs/dbraw/zinc/00/63/15/997006315.db2.gz PBHZKNVUTKDFJE-ZDUSSCGKSA-N -1 0 344.411 3.678 20 0 EHADRM CC1(C)CN(c2nc(Cl)c(C(=O)[O-])s2)CCc2ccccc21 ZINC001593948547 997010935 /nfs/dbraw/zinc/01/09/35/997010935.db2.gz FVXXJWNKUKBZMK-UHFFFAOYSA-N -1 0 336.844 3.835 20 0 EHADRM COC1(C(=O)Oc2ccc(C(=O)[O-])cc2Cl)CCC(F)(F)CC1 ZINC001599081625 997012112 /nfs/dbraw/zinc/01/21/12/997012112.db2.gz RTSDYICCELVXMN-UHFFFAOYSA-N -1 0 348.729 3.538 20 0 EHADRM COc1ccc(C(=O)[O-])c2c1CN(C(=O)[C@@H](C)[C@H](C)C(C)(C)C)CC2 ZINC001599496552 997027976 /nfs/dbraw/zinc/02/79/76/997027976.db2.gz GEVVASGYRKEURS-STQMWFEESA-N -1 0 347.455 3.596 20 0 EHADRM COc1cc(C)c(C)cc1NC(=O)NC1(CC(=O)[O-])CCCCC1 ZINC001599390859 997032908 /nfs/dbraw/zinc/03/29/08/997032908.db2.gz ROBUAJXIYURTML-UHFFFAOYSA-N -1 0 334.416 3.611 20 0 EHADRM COCc1ccc(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)cc1 ZINC001599290207 997052143 /nfs/dbraw/zinc/05/21/43/997052143.db2.gz KIBUGBSAZQEZCN-UHFFFAOYSA-N -1 0 337.734 3.576 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)CC[C@H]2CC(C)(C)CO2)c1 ZINC001593955474 997056367 /nfs/dbraw/zinc/05/63/67/997056367.db2.gz XENAGKLYIWPJIK-HNNXBMFYSA-N -1 0 334.412 3.550 20 0 EHADRM CC1(C)CO[C@@H](CCC(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC001593955467 997056893 /nfs/dbraw/zinc/05/68/93/997056893.db2.gz WXSHBIZCIVFPAN-NSHDSACASA-N -1 0 326.776 3.539 20 0 EHADRM COC[C@@H](SCCOc1ccccc1C(=O)[O-])c1ccccc1 ZINC001599188275 997071353 /nfs/dbraw/zinc/07/13/53/997071353.db2.gz YVFLLPFMVJMTSN-QGZVFWFLSA-N -1 0 332.421 3.885 20 0 EHADRM COc1ccc(C(=O)[O-])cc1CN[C@@H](c1ccc(F)cc1F)C1CC1 ZINC001599500124 997101739 /nfs/dbraw/zinc/10/17/39/997101739.db2.gz FKWQVXRERXFDNA-GOSISDBHSA-N -1 0 347.361 3.913 20 0 EHADRM CO[C@]1(C)CCCN(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])CC1 ZINC001599087494 997126019 /nfs/dbraw/zinc/12/60/19/997126019.db2.gz JLOGRZWNPXDXJG-LJQANCHMSA-N -1 0 348.443 3.931 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)CCCc1ccsc1 ZINC001599398094 997164981 /nfs/dbraw/zinc/16/49/81/997164981.db2.gz XKCRGUMOZNZRKE-VURMDHGXSA-N -1 0 346.404 3.783 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1sccc1Cl ZINC001599398297 997168812 /nfs/dbraw/zinc/16/88/12/997168812.db2.gz IVZXDYFCWXRFIU-HWKANZROSA-N -1 0 338.768 3.727 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)C1(C)CCC(C)CC1 ZINC001599400345 997203464 /nfs/dbraw/zinc/20/34/64/997203464.db2.gz RYYOJYLZIPKGPW-ALCCZGGFSA-N -1 0 332.396 3.915 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1Oc1ncnc2c(F)cccc12 ZINC001599401134 997217319 /nfs/dbraw/zinc/21/73/19/997217319.db2.gz YKQXYZVZSMFPRG-SOFGYWHQSA-N -1 0 340.310 3.668 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OCc1cc(C)nc(Cl)c1 ZINC001599401737 997226130 /nfs/dbraw/zinc/22/61/30/997226130.db2.gz WQYHXJUXCDVGDB-GQCTYLIASA-N -1 0 333.771 3.729 20 0 EHADRM CC(C)(O)CN(C(=O)c1cc(Cl)c2ccccc2c1[O-])C1CC1 ZINC000275160691 1016104515 /nfs/dbraw/zinc/10/45/15/1016104515.db2.gz XUSPGGYJUGDMEC-UHFFFAOYSA-N -1 0 333.815 3.574 20 0 EHADRM CC1(CC(=O)Nc2nc3c(s2)CC[C@H](C(=O)[O-])C3)CCCCC1 ZINC001593998312 997325089 /nfs/dbraw/zinc/32/50/89/997325089.db2.gz LUPDLEAEMNLCSI-NSHDSACASA-N -1 0 336.457 3.632 20 0 EHADRM C[C@]1(CCNC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C[C@@]1(F)Cl ZINC001594008591 997436962 /nfs/dbraw/zinc/43/69/62/997436962.db2.gz YVFAAOGZMQNMNK-KBPBESRZSA-N -1 0 349.189 3.864 20 0 EHADRM C[C@]1(CCc2ccccc2)CCN(C(=O)c2ccccc2C(=O)[O-])C1 ZINC001594009654 997440654 /nfs/dbraw/zinc/44/06/54/997440654.db2.gz FITXGVSKUZHDJC-NRFANRHFSA-N -1 0 337.419 3.870 20 0 EHADRM COc1ccc([C@H](NC(=O)/C(C)=C/C(C)(C)C)C(=O)[O-])cc1Cl ZINC001599521344 997486241 /nfs/dbraw/zinc/48/62/41/997486241.db2.gz SIMBDFJIVYFGOW-HBWSCVEGSA-N -1 0 339.819 3.583 20 0 EHADRM CC1(CNC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)CCCCCC1 ZINC001594017080 997504195 /nfs/dbraw/zinc/50/41/95/997504195.db2.gz KNWSJLQKROBKND-DNVCBOLYSA-N -1 0 336.476 3.633 20 0 EHADRM COc1ccc([C@@H](NC(=O)Nc2cccc(C(=O)[O-])c2)C(C)C)cc1 ZINC001599522433 997504278 /nfs/dbraw/zinc/50/42/78/997504278.db2.gz REKRWDCSOOXINU-KRWDZBQOSA-N -1 0 342.395 3.912 20 0 EHADRM CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)CCc1ccccc1C(=O)[O-] ZINC001599317351 997524066 /nfs/dbraw/zinc/52/40/66/997524066.db2.gz JXMPHUJEZLCRHN-HUUCEWRRSA-N -1 0 333.428 3.534 20 0 EHADRM C[C@H](CC(=O)NCC1(C(=O)[O-])CCCC1)Cc1ccc(Cl)cc1 ZINC000683316172 1016130844 /nfs/dbraw/zinc/13/08/44/1016130844.db2.gz IUVGCVIUFQPBOT-ZDUSSCGKSA-N -1 0 337.847 3.670 20 0 EHADRM CO[C@H]1CCC[C@H](CC(=O)Nc2c(C)sc(C)c2C(=O)[O-])C1 ZINC001599112242 997590297 /nfs/dbraw/zinc/59/02/97/997590297.db2.gz LMBPZIVRFFDTAT-RYUDHWBXSA-N -1 0 325.430 3.597 20 0 EHADRM Cc1nc(C=Cc2cc(Cl)ccc2Cl)[nH]c(=O)c1CC(=O)[O-] ZINC000349115064 1016138609 /nfs/dbraw/zinc/13/86/09/1016138609.db2.gz WMKLDQRDGPQZRG-DJWKRKHSSA-N -1 0 339.178 3.595 20 0 EHADRM CC(C)(C)OC(=O)N1CCC[C@@](C)(CNc2cccc(C(=O)[O-])c2)C1 ZINC001594032680 997617282 /nfs/dbraw/zinc/61/72/82/997617282.db2.gz RRONDUUATYIQIF-IBGZPJMESA-N -1 0 348.443 3.834 20 0 EHADRM C[C@@]1(Cc2noc(-c3ccc(/C=C/C(=O)[O-])o3)n2)CC1(Cl)Cl ZINC001594043442 997678417 /nfs/dbraw/zinc/67/84/17/997678417.db2.gz LTRBMTJGQCKPAP-MASHWEEQSA-N -1 0 343.166 3.554 20 0 EHADRM C[C@]1(NC(=O)Cc2cc3cc(Cl)ccc3[nH]2)CCCC[C@@H]1C(=O)[O-] ZINC001594052001 997750812 /nfs/dbraw/zinc/75/08/12/997750812.db2.gz CCAWWMUFGYNLQN-KDOFPFPSSA-N -1 0 348.830 3.514 20 0 EHADRM COc1c(CNC(=O)Nc2cc(C(=O)[O-])cs2)oc2ccccc21 ZINC001599333427 997787707 /nfs/dbraw/zinc/78/77/07/997787707.db2.gz DWIDSTBFPRRSKM-UHFFFAOYSA-N -1 0 346.364 3.523 20 0 EHADRM C[C@@]1(NC(=O)c2ccc(C(F)F)c(F)c2)CCCC[C@@H]1C(=O)[O-] ZINC001594056706 997803035 /nfs/dbraw/zinc/80/30/35/997803035.db2.gz SFVRUTJZVBTYRA-BDJLRTHQSA-N -1 0 329.318 3.527 20 0 EHADRM COc1cc(NC(=O)Cc2c(C)cccc2Cl)ccc1C(=O)[O-] ZINC001599435578 997839594 /nfs/dbraw/zinc/83/95/94/997839594.db2.gz ZNTIHOJSNUDERD-UHFFFAOYSA-N -1 0 333.771 3.536 20 0 EHADRM COc1ccc(/C=C(\C)C(=O)Nc2cccc(C(=O)[O-])c2C)cc1F ZINC001599542115 997860668 /nfs/dbraw/zinc/86/06/68/997860668.db2.gz TXIODSVHLUVDNA-PKNBQFBNSA-N -1 0 343.354 3.883 20 0 EHADRM COc1c(NC(=O)[C@H](C)SCc2ccccc2)cccc1C(=O)[O-] ZINC001599337872 997868704 /nfs/dbraw/zinc/86/87/04/997868704.db2.gz OMHFVMXKSHXXIK-LBPRGKRZSA-N -1 0 345.420 3.654 20 0 EHADRM COc1cc(NC(=O)N2Cc3ccccc3[C@H]2C)ccc1C(=O)[O-] ZINC001599438700 997894710 /nfs/dbraw/zinc/89/47/10/997894710.db2.gz ZBBGWORWHYNQJZ-LLVKDONJSA-N -1 0 326.352 3.502 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)c1cncc2ccccc21 ZINC001599545347 997913044 /nfs/dbraw/zinc/91/30/44/997913044.db2.gz MJPJZEZJEIJQAG-CLFYSBASSA-N -1 0 349.342 3.560 20 0 EHADRM COc1c(NC(=O)NCC2(C)CCC(C)CC2)cccc1C(=O)[O-] ZINC001599340794 997918639 /nfs/dbraw/zinc/91/86/39/997918639.db2.gz KZRJUCVVSDZTMZ-UHFFFAOYSA-N -1 0 334.416 3.731 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OCc1coc(C(C)(C)C)n1 ZINC001599546712 997934336 /nfs/dbraw/zinc/93/43/36/997934336.db2.gz POMOXKMVTWILBV-VURMDHGXSA-N -1 0 331.368 3.658 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1ccc(C2CC2)cc1 ZINC001599546836 997936714 /nfs/dbraw/zinc/93/67/14/997936714.db2.gz QSQKLYMRCBHXEJ-QDEBKDIKSA-N -1 0 338.359 3.890 20 0 EHADRM C[C@]1(c2ccccc2)C[C@H]1NC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001594076842 997950683 /nfs/dbraw/zinc/95/06/83/997950683.db2.gz PHBZCXRQHSSSAB-YLJYHZDGSA-N -1 0 349.390 3.718 20 0 EHADRM COc1cc(NCc2ccccc2O[C@H](C)C(=O)[O-])c(C)cc1C ZINC001599443303 997965478 /nfs/dbraw/zinc/96/54/78/997965478.db2.gz FZWBBQRLOVPCAW-CQSZACIVSA-N -1 0 329.396 3.776 20 0 EHADRM COc1cc(NCc2ccccc2N2CCCCC2)ccc1C(=O)[O-] ZINC001599444118 997979135 /nfs/dbraw/zinc/97/91/35/997979135.db2.gz WQLCGSHRNCEDHG-UHFFFAOYSA-N -1 0 340.423 3.996 20 0 EHADRM COc1cc(N[C@@H](C(=O)[O-])c2ccccc2F)ccc1OC(C)C ZINC001599444339 997982750 /nfs/dbraw/zinc/98/27/50/997982750.db2.gz HBJPRCGJISCRTL-QGZVFWFLSA-N -1 0 333.359 3.859 20 0 EHADRM COc1cc(OC(=O)OCc2ccc(Cl)cc2)ccc1C(=O)[O-] ZINC001599445875 998008400 /nfs/dbraw/zinc/00/84/00/998008400.db2.gz NZPFBLBMFDJMFP-UHFFFAOYSA-N -1 0 336.727 3.762 20 0 EHADRM COc1ccc(CCC(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)cc1 ZINC001599552002 998023668 /nfs/dbraw/zinc/02/36/68/998023668.db2.gz BNSVQLFNZNAFRH-ZDUSSCGKSA-N -1 0 328.364 3.630 20 0 EHADRM COc1cc(OC(=O)c2ccc(OC3CCC3)cc2)ccc1C(=O)[O-] ZINC001599447396 998031587 /nfs/dbraw/zinc/03/15/87/998031587.db2.gz KRDPPJLKRFEMEV-UHFFFAOYSA-N -1 0 342.347 3.544 20 0 EHADRM CC1=C(C(=O)[O-])[C@H](c2ccc3ccccc3c2)NC(=O)N1CC1CC1 ZINC001594097928 998074692 /nfs/dbraw/zinc/07/46/92/998074692.db2.gz JYUQVACRYMXJNR-SFHVURJKSA-N -1 0 336.391 3.675 20 0 EHADRM CC1=C(C(=O)[O-])C[C@H](CN(Cc2ccsc2)c2ccccc2)O1 ZINC001594099352 998095576 /nfs/dbraw/zinc/09/55/76/998095576.db2.gz CKVLRFWBIPCMJC-MRXNPFEDSA-N -1 0 329.421 3.902 20 0 EHADRM COC(=O)c1cc(NCc2ccc(C(=O)[O-])o2)cc2ccccc21 ZINC001598948380 998099332 /nfs/dbraw/zinc/09/93/32/998099332.db2.gz QDAFZPXMMFVOFA-UHFFFAOYSA-N -1 0 325.320 3.530 20 0 EHADRM CC1=C(C(=O)[O-])C[C@H](CN2C[C@@H](c3ccccc3)c3ccccc32)O1 ZINC001594099907 998102311 /nfs/dbraw/zinc/10/23/11/998102311.db2.gz JNCUSSICDGKUDR-APWZRJJASA-N -1 0 335.403 3.786 20 0 EHADRM COc1cc(OC)cc([C@@H](N[C@@H](C)c2cc(C)sc2C)C(=O)[O-])c1 ZINC001599452409 998126763 /nfs/dbraw/zinc/12/67/63/998126763.db2.gz HHJIZAIHKDWYNA-APPDUMDISA-N -1 0 349.452 3.859 20 0 EHADRM COc1cc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)ccc1Cl ZINC001599355686 998174785 /nfs/dbraw/zinc/17/47/85/998174785.db2.gz GETMDIPVCYZZPI-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM COc1cc(C(=O)Nc2ccsc2C(=O)[O-])ccc1C(F)(F)F ZINC001599356105 998181045 /nfs/dbraw/zinc/18/10/45/998181045.db2.gz XFVRTOQTSIMCBO-UHFFFAOYSA-N -1 0 345.298 3.726 20 0 EHADRM COCCOc1ccc(N[C@H](C(=O)[O-])c2ccccc2C)cc1Cl ZINC001599259519 998361745 /nfs/dbraw/zinc/36/17/45/998361745.db2.gz WIUKXWQYGOMEDR-KRWDZBQOSA-N -1 0 349.814 3.911 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)CCc1ccc(Cl)s1 ZINC001599369721 998391355 /nfs/dbraw/zinc/39/13/55/998391355.db2.gz OAMSSBUQELCPRW-UHFFFAOYSA-N -1 0 339.800 3.680 20 0 EHADRM COc1cc(C(=O)[O-])ccc1N[C@H]1CCC[C@H](c2cccnc2)C1 ZINC001599375542 998479394 /nfs/dbraw/zinc/47/93/94/998479394.db2.gz NUZZXGJOSTXDPS-BBRMVZONSA-N -1 0 326.396 3.927 20 0 EHADRM COc1ccc(Cl)cc1C(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001599580099 998514766 /nfs/dbraw/zinc/51/47/66/998514766.db2.gz SXSBUMLMGZUMEE-UHFFFAOYSA-N -1 0 339.800 3.977 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)c1cc2cc(C)ccc2o1 ZINC001599378690 998532099 /nfs/dbraw/zinc/53/20/99/998532099.db2.gz DQBIUAPGIGSZOR-UHFFFAOYSA-N -1 0 326.304 3.667 20 0 EHADRM C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC001594184230 998714098 /nfs/dbraw/zinc/71/40/98/998714098.db2.gz HPGWHTQXYRCUME-WQGACYEGSA-N -1 0 338.398 3.866 20 0 EHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@H]1Nc1ccc(F)cc1OCC(F)F ZINC001594185348 998718599 /nfs/dbraw/zinc/71/85/99/998718599.db2.gz OTGIZDHNXFTBET-CKYFFXLPSA-N -1 0 331.334 3.771 20 0 EHADRM COC(=O)c1ccc2nc(SC[C@H]3CCCC[C@@H]3C(=O)[O-])oc2c1 ZINC001598991878 998745020 /nfs/dbraw/zinc/74/50/20/998745020.db2.gz WPMSOCUOBGIPRS-NEPJUHHUSA-N -1 0 349.408 3.598 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1C(=O)C[C@@H]1CCCc2ccccc21 ZINC001594205940 998791888 /nfs/dbraw/zinc/79/18/88/998791888.db2.gz MTIGTTPWZAZOEE-FSDCSDTHSA-N -1 0 329.440 3.597 20 0 EHADRM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1C(=O)c1cc2ccccc2c(Cl)n1 ZINC001594206031 998792717 /nfs/dbraw/zinc/79/27/17/998792717.db2.gz OBYZCWIZKWGMRG-QWRGUYRKSA-N -1 0 346.814 3.602 20 0 EHADRM C[C@H]1CC(C)(C)c2cccc(NC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)c21 ZINC001594217718 998839079 /nfs/dbraw/zinc/83/90/79/998839079.db2.gz XPRXAJJQUOMETP-XQQFMLRXSA-N -1 0 330.428 3.846 20 0 EHADRM COC(=O)c1ccccc1CSCc1ccc(C(=O)[O-])cc1F ZINC001599003698 998840458 /nfs/dbraw/zinc/84/04/58/998840458.db2.gz ZEHRBGXETPOXOG-UHFFFAOYSA-N -1 0 334.368 3.744 20 0 EHADRM C[C@H]1CC(C(=O)NCCc2cc3ccc(C(=O)[O-])cc3o2)C[C@H](C)C1 ZINC001594219491 998842271 /nfs/dbraw/zinc/84/22/71/998842271.db2.gz IXIUTAAUFSPQDZ-CHWSQXEVSA-N -1 0 343.423 3.862 20 0 EHADRM C[C@H]1C[C@H](C(=O)N2CCCC[C@@H]2c2ccc(C(=O)[O-])n2C)C[C@@H](C)C1 ZINC001594220164 998846759 /nfs/dbraw/zinc/84/67/59/998846759.db2.gz XBXWCMRUANBYLX-WBTNSWJXSA-N -1 0 346.471 3.849 20 0 EHADRM C[C@H](SCc1ccccc1C(=O)[O-])C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC001594222563 998857330 /nfs/dbraw/zinc/85/73/30/998857330.db2.gz YGHRSOGFFUMGLA-MCIONIFRSA-N -1 0 335.469 3.511 20 0 EHADRM C[C@@H]1C[C@H](CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])CC(C)(C)C1 ZINC001594232649 998887016 /nfs/dbraw/zinc/88/70/16/998887016.db2.gz OSCCBDCOJNBOFH-IIDMSEBBSA-N -1 0 343.467 3.877 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)C1 ZINC001594254001 998977718 /nfs/dbraw/zinc/97/77/18/998977718.db2.gz VEXKEJGPWLKUCI-IJCBKZNRSA-N -1 0 343.467 3.966 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)NCC(C)(C)CC(=O)[O-])C[C@@H](c2ccccc2)C1 ZINC001594255312 998983832 /nfs/dbraw/zinc/98/38/32/998983832.db2.gz MOFIWMPYRMFPLY-BHYGNILZSA-N -1 0 346.471 3.759 20 0 EHADRM C[C@H]1C[C@@H](NC(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)CCS1 ZINC001594257786 998992221 /nfs/dbraw/zinc/99/22/21/998992221.db2.gz JVKPMLXCMGIYPF-YUMQZZPRSA-N -1 0 346.811 3.583 20 0 EHADRM O=C([O-])C1CC(C(=O)N2CCCCC[C@H]2/C=C\c2cccs2)C1 ZINC000683340775 1016269384 /nfs/dbraw/zinc/26/93/84/1016269384.db2.gz KMOIZWKWZDPIMV-DXRUMVDMSA-N -1 0 333.453 3.643 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001594269601 999041549 /nfs/dbraw/zinc/04/15/49/999041549.db2.gz KYBIWPQEYCFGCC-UMVBOHGHSA-N -1 0 339.395 3.578 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2ccc(/C=C/C(=O)[O-])o2)C1 ZINC001594270268 999044153 /nfs/dbraw/zinc/04/41/53/999044153.db2.gz RXLCBWWQPVDDND-XCUOTZKBSA-N -1 0 325.364 3.601 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ccc(C(=O)[O-])nc2)C1 ZINC001594270604 999045829 /nfs/dbraw/zinc/04/58/29/999045829.db2.gz XETGSCVJBKDQQR-BDJLRTHQSA-N -1 0 343.358 3.534 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2ccc(C(=O)[O-])cn2)C1 ZINC001594270688 999046473 /nfs/dbraw/zinc/04/64/73/999046473.db2.gz YVCPHBVTNQCMMG-ABAIWWIYSA-N -1 0 343.358 3.534 20 0 EHADRM C[C@@H]1CC2(CCC2)CN1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001594286982 999110477 /nfs/dbraw/zinc/11/04/77/999110477.db2.gz WUHTVAKNQPSTHH-CYBMUJFWSA-N -1 0 348.468 3.801 20 0 EHADRM CO[C@@H]([C@@H](C)NC(=O)Nc1cccc2cc(C(=O)[O-])sc21)C1CC1 ZINC001599044584 999142109 /nfs/dbraw/zinc/14/21/09/999142109.db2.gz ZTDQEDMKXFCLRX-OTYXRUKQSA-N -1 0 348.424 3.535 20 0 EHADRM CO[C@@H](CC(C)C)C(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001599045150 999145544 /nfs/dbraw/zinc/14/55/44/999145544.db2.gz LVEUCIIZYHBXIA-QWHCGFSZSA-N -1 0 348.317 3.593 20 0 EHADRM C[C@@H]1CC[C@H](CC(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)C1 ZINC001594303224 999173393 /nfs/dbraw/zinc/17/33/93/999173393.db2.gz WSQSETDDWHOMQR-GXNBUGAJSA-N -1 0 329.440 3.806 20 0 EHADRM CO[C@@H](CNc1nc(C)nc2sc(C(=O)[O-])c(C)c21)C1CCCC1 ZINC001599055270 999225045 /nfs/dbraw/zinc/22/50/45/999225045.db2.gz CXXKUYTXMKSGRI-LBPRGKRZSA-N -1 0 349.456 3.623 20 0 EHADRM C[C@@H]1CC[C@@](NC(=O)c2cc3ccccc3[nH]2)(C(=O)[O-])c2ccccc21 ZINC001594321633 999236668 /nfs/dbraw/zinc/23/66/68/999236668.db2.gz FMCWKRSEWUSBIM-ASSNKEHSSA-N -1 0 348.402 3.775 20 0 EHADRM C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)c2ccc(/C=C/C(=O)[O-])o2)C1 ZINC001594330712 999271328 /nfs/dbraw/zinc/27/13/28/999271328.db2.gz XDVQYFQUSOZSDN-ARCVRQHBSA-N -1 0 339.391 3.991 20 0 EHADRM C[C@@H]1CCC[C@H](C)N(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC001594343865 999299935 /nfs/dbraw/zinc/29/99/35/999299935.db2.gz SYAAEKAAWPFYGI-OSRSDYAFSA-N -1 0 330.428 3.917 20 0 EHADRM C[C@H]1CCC[C@H](C)N(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC001594343864 999300163 /nfs/dbraw/zinc/30/01/63/999300163.db2.gz SYAAEKAAWPFYGI-MGBSGCIJSA-N -1 0 330.428 3.917 20 0 EHADRM C[C@H]1CCC[C@@H](CC(=O)Nc2sc3c(c2C(=O)[O-])CCOC3)C1 ZINC001594345435 999307333 /nfs/dbraw/zinc/30/73/33/999307333.db2.gz UYMFQQDMEBOYKV-WDEREUQCSA-N -1 0 337.441 3.674 20 0 EHADRM COC1(C(=O)Nc2cccc3cc(C(=O)[O-])sc32)CCCCC1 ZINC001599068600 999315223 /nfs/dbraw/zinc/31/52/23/999315223.db2.gz NFTGFZVQFSPUSE-UHFFFAOYSA-N -1 0 333.409 3.887 20 0 EHADRM C[C@H]1CCC[C@@H](N(C)C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)C1 ZINC001594348020 999317568 /nfs/dbraw/zinc/31/75/68/999317568.db2.gz FACPWJDOTVBCJU-SWLSCSKDSA-N -1 0 341.411 3.975 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(OCCC(=O)[O-])cc1)[C@H]1CCC[C@H](C)C1 ZINC001594354772 999340054 /nfs/dbraw/zinc/34/00/54/999340054.db2.gz FZDIBHRMBIVDJO-KKUMJFAQSA-N -1 0 348.443 3.876 20 0 EHADRM C[C@H](NC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1)[C@H]1CCC[C@@H](C)C1 ZINC001594355151 999340950 /nfs/dbraw/zinc/34/09/50/999340950.db2.gz ISTHSWONMBHRFH-FVALFLQTSA-N -1 0 329.440 3.576 20 0 EHADRM C[C@@H]1CCC[C@H]1CC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001594356652 999347764 /nfs/dbraw/zinc/34/77/64/999347764.db2.gz CRRVBRBILPXUAY-FRIZHTMISA-N -1 0 325.408 3.908 20 0 EHADRM C[C@@H]1CCC[C@]1(C)C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001594357478 999351818 /nfs/dbraw/zinc/35/18/18/999351818.db2.gz MLZPGDNBGFRIAY-XIEZEKGWSA-N -1 0 349.858 3.793 20 0 EHADRM C[C@H]1CCC[C@H]1CNC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001594360424 999362657 /nfs/dbraw/zinc/36/26/57/999362657.db2.gz UROQEQSOGKKWSR-ZFWWWQNUSA-N -1 0 345.443 3.543 20 0 EHADRM C[C@H]1CCCC[C@@H]1C(=O)Oc1ccc(C(=O)[O-])cc1Br ZINC001594363522 999372219 /nfs/dbraw/zinc/37/22/19/999372219.db2.gz GJCFIDGSQCMCQH-ONGXEEELSA-N -1 0 341.201 3.879 20 0 EHADRM C[C@H]1CCCC[C@H]1NC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001594366493 999385318 /nfs/dbraw/zinc/38/53/18/999385318.db2.gz QHTUWTFSLSSXPY-QPUJVOFHSA-N -1 0 328.771 3.878 20 0 EHADRM C[C@H]1CCCC[C@H]1OCC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001594369879 999393113 /nfs/dbraw/zinc/39/31/13/999393113.db2.gz BQTPQZLKUXVXIZ-TVQRCGJNSA-N -1 0 343.782 3.711 20 0 EHADRM C[C@H]1CCCCN1C(=O)CSCc1cccc(C(=O)[O-])c1Cl ZINC001594370056 999393406 /nfs/dbraw/zinc/39/34/06/999393406.db2.gz FTXUBOYYCQILPF-NSHDSACASA-N -1 0 341.860 3.672 20 0 EHADRM C[C@@H]1CCCCN(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC001594370033 999393410 /nfs/dbraw/zinc/39/34/10/999393410.db2.gz DVJULYVFZIZSMM-GDBMZVCRSA-N -1 0 332.444 3.670 20 0 EHADRM C[C@H]1CCCc2ccccc2[C@H]1NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001594389405 999475595 /nfs/dbraw/zinc/47/55/95/999475595.db2.gz XPNSBMKIFHHODA-YRMAPFEESA-N -1 0 344.455 3.643 20 0 EHADRM C[C@H](C(=O)N1CC[C@@H](C)C[C@@H]1C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001594394700 999487235 /nfs/dbraw/zinc/48/72/35/999487235.db2.gz LVGQJRNROHWEEX-ISTVAULSSA-N -1 0 344.238 3.809 20 0 EHADRM C[C@@H]1CCN(C(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)c2ccccc21 ZINC001594395344 999489423 /nfs/dbraw/zinc/48/94/23/999489423.db2.gz OXHZIZAHPUDYIR-DAESXHAQSA-N -1 0 335.403 3.785 20 0 EHADRM CC(C)[C@H](CNC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000655568259 1016322144 /nfs/dbraw/zinc/32/21/44/1016322144.db2.gz FVVOZAVMOXKZIS-IHRRRGAJSA-N -1 0 344.238 3.570 20 0 EHADRM C[C@@H]1CCN(C(=O)Cc2ccc(C(=O)[O-])cc2)c2ccccc2S1 ZINC001594402191 999506505 /nfs/dbraw/zinc/50/65/05/999506505.db2.gz RLDGSCGPCMMVEA-CYBMUJFWSA-N -1 0 341.432 3.845 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])nc2)[C@@H]1c1cccc(F)c1 ZINC001594403958 999513004 /nfs/dbraw/zinc/51/30/04/999513004.db2.gz WSMQRXHABNQMKA-BZNIZROVSA-N -1 0 343.358 3.534 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2)[C@@H](c2ccco2)C1 ZINC001594404053 999513427 /nfs/dbraw/zinc/51/34/27/999513427.db2.gz XTVJUWKIAVGCEO-SWLSCSKDSA-N -1 0 328.368 3.983 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc(CC(=O)[O-])cc2)[C@H](c2ccco2)C1 ZINC001594405423 999517261 /nfs/dbraw/zinc/51/72/61/999517261.db2.gz LOYHHESFKJLDPF-CJNGLKHVSA-N -1 0 342.395 3.912 20 0 EHADRM C[C@@H]1CCc2ccccc2N1C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001594445455 999637265 /nfs/dbraw/zinc/63/72/65/999637265.db2.gz JURVEOXODZLTAN-CQSZACIVSA-N -1 0 348.402 3.707 20 0 EHADRM C[C@H]1CCc2nc(C(=O)Nc3cc4ccccc4c(C(=O)[O-])c3)cn2C1 ZINC001594446816 999640235 /nfs/dbraw/zinc/64/02/35/999640235.db2.gz CHLINJHSWNYISE-LBPRGKRZSA-N -1 0 349.390 3.569 20 0 EHADRM C[C@@H]1CCc2sc(-c3nnc(-c4ccoc4CC(=O)[O-])o3)cc2C1 ZINC001594450977 999649293 /nfs/dbraw/zinc/64/92/93/999649293.db2.gz QMUCUPIUMLIGBD-SECBINFHSA-N -1 0 344.392 3.810 20 0 EHADRM C[C@@H]1CCc2nc(CN(CCC(=O)[O-])Cc3ccccc3)sc2C1 ZINC001594451165 999649890 /nfs/dbraw/zinc/64/98/90/999649890.db2.gz VOJDBSSDIFDWRC-CQSZACIVSA-N -1 0 344.480 3.745 20 0 EHADRM CC(C)[C@H](CNC(=O)c1ccccc1Sc1ccccc1)C(=O)[O-] ZINC000655573725 1016371568 /nfs/dbraw/zinc/37/15/68/1016371568.db2.gz YYCULAZHKBCKGG-INIZCTEOSA-N -1 0 343.448 3.924 20 0 EHADRM C[C@@H](NC(=O)c1ccc2sccc2c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655581258 1016479571 /nfs/dbraw/zinc/47/95/71/1016479571.db2.gz WOIIVEHMRKJBMD-DDTOSNHZSA-N -1 0 331.437 3.767 20 0 EHADRM C[C@](CC(=O)NCC1CCC(C)(C)CC1)(C(=O)[O-])c1ccccc1 ZINC000326692351 1016563853 /nfs/dbraw/zinc/56/38/53/1016563853.db2.gz UGROKPYTFOOKOR-HXUWFJFHSA-N -1 0 331.456 3.752 20 0 EHADRM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1nc2ccsc2s1 ZINC000430379704 1016557320 /nfs/dbraw/zinc/55/73/20/1016557320.db2.gz VVSHKAKHXBPLTD-UHFFFAOYSA-N -1 0 342.442 3.915 20 0 EHADRM CC[C@@H](Cc1ccc(NCc2ccnn2CC(C)C)cc1)C(=O)[O-] ZINC000647646772 1016585272 /nfs/dbraw/zinc/58/52/72/1016585272.db2.gz NKURXGFMBUARDO-INIZCTEOSA-N -1 0 329.444 3.805 20 0 EHADRM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cn1 ZINC000430389531 1016607752 /nfs/dbraw/zinc/60/77/52/1016607752.db2.gz QSBQWYAMOLAVJH-UHFFFAOYSA-N -1 0 349.214 3.945 20 0 EHADRM COCCOc1c(F)cc(Nc2cc(F)cc(C(=O)[O-])c2)cc1F ZINC001209894245 1016644162 /nfs/dbraw/zinc/64/41/62/1016644162.db2.gz UDMQSHFEIWRLMV-UHFFFAOYSA-N -1 0 341.285 3.571 20 0 EHADRM CCC[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000236846374 1039265069 /nfs/dbraw/zinc/26/50/69/1039265069.db2.gz VEYFUYOQNBFADS-MFKMUULPSA-N -1 0 342.233 3.517 20 0 EHADRM CCCN(Cc1ccccc1F)C(=O)NCC(CC)(CC)C(=O)[O-] ZINC000659409453 1016658350 /nfs/dbraw/zinc/65/83/50/1016658350.db2.gz OCMVFILNHIPGPK-UHFFFAOYSA-N -1 0 338.423 3.638 20 0 EHADRM CN(C(=O)NCCCCCC(=O)[O-])C1CC(C)(C)CC(C)(C)C1 ZINC000659406435 1016662017 /nfs/dbraw/zinc/66/20/17/1016662017.db2.gz YUEHGXGHSFLTEH-UHFFFAOYSA-N -1 0 326.481 3.878 20 0 EHADRM COCc1ccc([C@@H]2CCCN2C(=O)c2cc(SC)ccc2O)o1 ZINC000613576504 1016681608 /nfs/dbraw/zinc/68/16/08/1016681608.db2.gz SZOPFXGASYWCBH-HNNXBMFYSA-N -1 0 347.436 3.831 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CCC[C@H](F)C1)c1ccc(Cl)c(F)c1 ZINC000425247461 1016741111 /nfs/dbraw/zinc/74/11/11/1016741111.db2.gz YIDDZUDUHSGPAD-SUNKGSAMSA-N -1 0 345.773 3.639 20 0 EHADRM CC(C)c1ccc(CNC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000326772790 1016744507 /nfs/dbraw/zinc/74/45/07/1016744507.db2.gz LKECQGQDLAITRI-NRFANRHFSA-N -1 0 339.435 3.859 20 0 EHADRM Cc1conc1[N-]S(=O)(=O)c1ccc(Oc2cccc(C)c2)cc1 ZINC000178832560 1016790719 /nfs/dbraw/zinc/79/07/19/1016790719.db2.gz HSQBMDQBZMGXKU-UHFFFAOYSA-N -1 0 344.392 3.885 20 0 EHADRM COc1ccccc1CC/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000022769827 1016794571 /nfs/dbraw/zinc/79/45/71/1016794571.db2.gz GIPHKJGIBQJQQQ-VCHYOVAHSA-N -1 0 334.759 3.624 20 0 EHADRM Cc1ccc(OC2CCN(C(=O)c3ccc(F)cc3[O-])CC2)cc1C ZINC000179000431 1016835395 /nfs/dbraw/zinc/83/53/95/1016835395.db2.gz TYCMDDRPPKUTEB-UHFFFAOYSA-N -1 0 343.398 3.832 20 0 EHADRM C[C@H](CNC(=O)c1cc(F)c([O-])c(F)c1)Oc1ccc(Cl)cc1 ZINC000180088424 1016891869 /nfs/dbraw/zinc/89/18/69/1016891869.db2.gz BDLXTLUPWWEEHB-SECBINFHSA-N -1 0 341.741 3.521 20 0 EHADRM C[C@@H]1CN(C(=O)N=c2[n-]nc(-c3ccccc3)s2)[C@@H]2CCCC[C@H]21 ZINC000547826908 1016958242 /nfs/dbraw/zinc/95/82/42/1016958242.db2.gz AJFYMOVUCPMZKR-VHDGCEQUSA-N -1 0 342.468 3.669 20 0 EHADRM CCCN(CC1CC1)C(=O)N=c1[n-]nc(-c2cc(F)ccc2C)s1 ZINC000471305423 1016970613 /nfs/dbraw/zinc/97/06/13/1016970613.db2.gz DFTYQUNAFCHQIH-UHFFFAOYSA-N -1 0 348.447 3.728 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655585489 1016975881 /nfs/dbraw/zinc/97/58/81/1016975881.db2.gz YDAKJVOTKPXXLB-SLBVQIDZSA-N -1 0 349.496 3.809 20 0 EHADRM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)NCCCCCC(=O)[O-] ZINC000414604418 1016998348 /nfs/dbraw/zinc/99/83/48/1016998348.db2.gz ARPWIZWRMQUDLJ-SFHVURJKSA-N -1 0 334.460 3.979 20 0 EHADRM CCC[C@H](C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655586327 1017017763 /nfs/dbraw/zinc/01/77/63/1017017763.db2.gz QTDHKWXNWOKTDO-QSPRXWTASA-N -1 0 331.456 3.822 20 0 EHADRM CC(C)(C)[C@H]1CCN(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)C1 ZINC000414611669 1017023582 /nfs/dbraw/zinc/02/35/82/1017023582.db2.gz CINPRBDAJNEXON-DLBZAZTESA-N -1 0 346.471 3.540 20 0 EHADRM C[C@@H](NC(=O)NCCCCCC(=O)[O-])c1ccc(F)c2ccccc21 ZINC000414613647 1017029862 /nfs/dbraw/zinc/02/98/62/1017029862.db2.gz SCLOQSAIFWXNKI-CYBMUJFWSA-N -1 0 346.402 3.984 20 0 EHADRM COc1cc(F)ccc1[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000323364458 1017049896 /nfs/dbraw/zinc/04/98/96/1017049896.db2.gz COLVTTHLBHDWLS-UHFFFAOYSA-N -1 0 331.368 3.788 20 0 EHADRM O=S(=O)([N-]c1noc(C2CC2)n1)c1ccc(Cl)c2ccccc21 ZINC000183401829 1032168629 /nfs/dbraw/zinc/16/86/29/1032168629.db2.gz KUPREOYOLAAFDI-UHFFFAOYSA-N -1 0 349.799 3.554 20 0 EHADRM Cc1c2cccc(Cl)c2oc1C(=O)N1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000584352986 1032173017 /nfs/dbraw/zinc/17/30/17/1032173017.db2.gz JLSVFUMRAAMBTP-VVVCHXIZSA-N -1 0 335.787 3.577 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCSC[C@H]1c1ccccc1 ZINC000183627167 1032213230 /nfs/dbraw/zinc/21/32/30/1032213230.db2.gz LJUFGRYTBXJUEG-HNNXBMFYSA-N -1 0 335.375 3.601 20 0 EHADRM COCc1ccccc1S(=O)(=O)[N-]c1cccc2ccccc21 ZINC000485042001 1032259293 /nfs/dbraw/zinc/25/92/93/1032259293.db2.gz AZWQWNBLGFXFCV-UHFFFAOYSA-N -1 0 327.405 3.787 20 0 EHADRM O=S(=O)([N-]c1noc2ccccc21)c1ccc(C(F)(F)F)s1 ZINC000461117465 1032277991 /nfs/dbraw/zinc/27/79/91/1032277991.db2.gz VJPQEVPWOYNQHY-UHFFFAOYSA-N -1 0 348.327 3.709 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1cc(Br)cn2ccnc12 ZINC001211616340 1032278166 /nfs/dbraw/zinc/27/81/66/1032278166.db2.gz IKMQISHQCKCQMG-UHFFFAOYSA-N -1 0 346.184 3.847 20 0 EHADRM Cn1ccnc1-c1cccc(NC(=O)c2cc(F)c([O-])c(Cl)c2)c1 ZINC000184286111 1032279982 /nfs/dbraw/zinc/27/99/82/1032279982.db2.gz DRBVIFAUFPOQLD-UHFFFAOYSA-N -1 0 345.761 3.838 20 0 EHADRM C[C@H](CC(=O)N[C@@H](C)[C@@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC000455917143 1032297003 /nfs/dbraw/zinc/29/70/03/1032297003.db2.gz DEKXJWFXDZGEAG-JTDSTZFVSA-N -1 0 339.435 3.628 20 0 EHADRM C[C@@H](NC(=O)c1cccc(F)c1[O-])c1cccc(N2CCCC2)c1 ZINC001126994108 1032303080 /nfs/dbraw/zinc/30/30/80/1032303080.db2.gz LRDCSSMVWQTCQQ-CYBMUJFWSA-N -1 0 328.387 3.623 20 0 EHADRM O=c1nc(C2CC2)[n-]c2c(-c3cccc(C(F)(F)F)c3)nsc21 ZINC000905032120 1032319467 /nfs/dbraw/zinc/31/94/67/1032319467.db2.gz XGGNZCJQSUFIAG-UHFFFAOYSA-N -1 0 337.326 3.943 20 0 EHADRM CCO[C@H](C(=O)Nc1ccc(SC)c(C(=O)[O-])c1)C1CCCC1 ZINC000905043068 1032323954 /nfs/dbraw/zinc/32/39/54/1032323954.db2.gz CHHSORKVOKVCPU-HNNXBMFYSA-N -1 0 337.441 3.641 20 0 EHADRM CSc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1C(=O)[O-] ZINC000905043776 1032325096 /nfs/dbraw/zinc/32/50/96/1032325096.db2.gz KFCCHVFPGDQQLE-UHFFFAOYSA-N -1 0 333.434 3.909 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)Nc2cccc(F)c2F)n1 ZINC000081726311 1032347486 /nfs/dbraw/zinc/34/74/86/1032347486.db2.gz KZGNSWSJTIVROV-UHFFFAOYSA-N -1 0 347.296 3.556 20 0 EHADRM CSc1ccc(C)c(NC(=O)[C@@H]2C[C@@]2(C(=O)[O-])c2ccccc2)c1 ZINC000905117829 1032348250 /nfs/dbraw/zinc/34/82/50/1032348250.db2.gz KNWFTLWNFDDDCS-HNAYVOBHSA-N -1 0 341.432 3.698 20 0 EHADRM Cc1cc(Cl)cc(C(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)c1 ZINC000263020791 1032412826 /nfs/dbraw/zinc/41/28/26/1032412826.db2.gz YAQTWQNLRVXXDX-IRXDYDNUSA-N -1 0 343.810 3.589 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000601995862 1032587055 /nfs/dbraw/zinc/58/70/55/1032587055.db2.gz OXCPBHAWRYDXJU-SUNKGSAMSA-N -1 0 341.448 3.624 20 0 EHADRM N#CCC[C@H](NC(=O)CC1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC000158387505 1032600520 /nfs/dbraw/zinc/60/05/20/1032600520.db2.gz CKFRUYUMHYAUDE-INIZCTEOSA-N -1 0 328.412 3.573 20 0 EHADRM CCC(CC)c1nnc([N-]S(=O)(=O)c2cc(C)c(C)s2)s1 ZINC000091051799 1032626178 /nfs/dbraw/zinc/62/61/78/1032626178.db2.gz XDCGBHDOPMSEPZ-UHFFFAOYSA-N -1 0 345.515 3.921 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)N[C@@H](C)CCCCC(=O)[O-])cc1 ZINC000547888976 1017197052 /nfs/dbraw/zinc/19/70/52/1017197052.db2.gz NPEYFKDWVCJUIA-KGLIPLIRSA-N -1 0 341.473 3.512 20 0 EHADRM CCN(C(=O)N(CCCC(=O)[O-])Cc1ccc(Cl)cc1)C(C)C ZINC000547904615 1017248258 /nfs/dbraw/zinc/24/82/58/1017248258.db2.gz YKWITOUPLAUQEH-UHFFFAOYSA-N -1 0 340.851 3.857 20 0 EHADRM Cc1cc(Nc2ccc(C(=O)[O-])nc2)cc(F)c1Br ZINC001210177719 1017330104 /nfs/dbraw/zinc/33/01/04/1017330104.db2.gz SKHGBJJHZMCIMU-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1ncc2ccccc2c1O ZINC000613638498 1017347275 /nfs/dbraw/zinc/34/72/75/1017347275.db2.gz STYHMHYOFVHQTP-ZWNOBZJWSA-N -1 0 338.329 3.743 20 0 EHADRM C[C@H](CC(=O)N[C@H](CC(=O)[O-])C1CCCCC1)c1ccc(F)cc1 ZINC000537401140 1032702541 /nfs/dbraw/zinc/70/25/41/1032702541.db2.gz NAMQOXRUISRORB-CXAGYDPISA-N -1 0 335.419 3.859 20 0 EHADRM Clc1ccc(Cc2n[n-]c(=NCCOC3CCCC3)s2)cc1 ZINC000547957419 1017605529 /nfs/dbraw/zinc/60/55/29/1017605529.db2.gz NCPXKWSGZHIWKG-UHFFFAOYSA-N -1 0 337.876 3.575 20 0 EHADRM CCc1ccccc1Cc1noc(-c2cc(OC)c(O)c(OC)c2)n1 ZINC000683599743 1017619207 /nfs/dbraw/zinc/61/92/07/1017619207.db2.gz QPZCOOBMILHVJH-UHFFFAOYSA-N -1 0 340.379 3.613 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c1 ZINC000238153754 1017636461 /nfs/dbraw/zinc/63/64/61/1017636461.db2.gz IPASQQLQWCLAGW-RYUDHWBXSA-N -1 0 333.746 3.920 20 0 EHADRM CC(C)(C)c1ccccc1C(=O)NCCc1ccccc1C(=O)[O-] ZINC000325555057 1017797670 /nfs/dbraw/zinc/79/76/70/1017797670.db2.gz VWWUPYKZUBPVLY-UHFFFAOYSA-N -1 0 325.408 3.655 20 0 EHADRM Cc1c2cccc(C)c2oc1CN(C)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000655895352 1017865384 /nfs/dbraw/zinc/86/53/84/1017865384.db2.gz BJEIJKJTZGSHKI-HNNXBMFYSA-N -1 0 346.427 3.548 20 0 EHADRM CCC[C@H](C)[C@@H]1CCCN1C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655902869 1017883852 /nfs/dbraw/zinc/88/38/52/1017883852.db2.gz VNHKBTPLLNUDCS-GVRJEKJASA-N -1 0 338.492 3.732 20 0 EHADRM C[C@H](c1ccccc1)N(C)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655908952 1017907076 /nfs/dbraw/zinc/90/70/76/1017907076.db2.gz XJRHAYRYMZQAGM-LQKXBSAESA-N -1 0 332.444 3.524 20 0 EHADRM Cc1cc(Nc2ccnn2Cc2ccccc2F)ccc1C(=O)[O-] ZINC001211649972 1017913160 /nfs/dbraw/zinc/91/31/60/1017913160.db2.gz JCEAVQRGKIFBHZ-UHFFFAOYSA-N -1 0 325.343 3.821 20 0 EHADRM COc1c(-c2ccccc2OC[C@H]2CCOC2)ccc(C)c1C(=O)[O-] ZINC000579979006 1017943981 /nfs/dbraw/zinc/94/39/81/1017943981.db2.gz MXYMQCWTOMJIAM-AWEZNQCLSA-N -1 0 342.391 3.784 20 0 EHADRM CCC[C@]1(C)CCCN(C(=O)c2nn(-c3ccccc3)cc2[O-])C1 ZINC000468616010 1018198390 /nfs/dbraw/zinc/19/83/90/1018198390.db2.gz VOIATFJOZJCVTK-LJQANCHMSA-N -1 0 327.428 3.620 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(-c2ccco2)cc1F ZINC000683729048 1018221476 /nfs/dbraw/zinc/22/14/76/1018221476.db2.gz UIIATUIJJAUCEF-STQMWFEESA-N -1 0 329.327 3.691 20 0 EHADRM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccc(C2CCC2)cc1 ZINC000683731657 1018234905 /nfs/dbraw/zinc/23/49/05/1018234905.db2.gz LBPJUAUUROATJM-UHFFFAOYSA-N -1 0 347.484 3.613 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)ccc1F ZINC000081673873 1018270995 /nfs/dbraw/zinc/27/09/95/1018270995.db2.gz XHGWAJHXXPIUCJ-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CCCCc1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)n[nH]1 ZINC000471497379 1018301786 /nfs/dbraw/zinc/30/17/86/1018301786.db2.gz WERKMYGCVDYXSP-UHFFFAOYSA-N -1 0 329.425 3.706 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H](C)Cc2ccco2)cc1 ZINC000659137987 1018349673 /nfs/dbraw/zinc/34/96/73/1018349673.db2.gz PAGURBPGSMRZJN-WBMJQRKESA-N -1 0 347.436 3.512 20 0 EHADRM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(SC)cc2)n[nH]1 ZINC000471506400 1018394101 /nfs/dbraw/zinc/39/41/01/1018394101.db2.gz UHFSLNAKQKMGBA-NSHDSACASA-N -1 0 339.486 3.836 20 0 EHADRM Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C\c1cc(C(=O)[O-])ccn1 ZINC000340596396 1018605692 /nfs/dbraw/zinc/60/56/92/1018605692.db2.gz YZQVUAVCGXOLKP-YVMONPNESA-N -1 0 337.354 3.892 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)OC1(CCCCC1)O2)c1ccco1 ZINC000275789827 1018611652 /nfs/dbraw/zinc/61/16/52/1018611652.db2.gz YNOQQJPSNZVJLL-UHFFFAOYSA-N -1 0 335.381 3.512 20 0 EHADRM CC(C)[C@H]1N(C(=O)N=c2nc(-c3ccsc3)[n-]s2)CC1(C)C ZINC000580159764 1018721747 /nfs/dbraw/zinc/72/17/47/1018721747.db2.gz MHJUCNJKHGWTEW-LLVKDONJSA-N -1 0 336.486 3.587 20 0 EHADRM CCCn1nc(C)c(-c2ccc([S@@](=O)CCCC(=O)[O-])cc2)c1C ZINC000564587326 1018855809 /nfs/dbraw/zinc/85/58/09/1018855809.db2.gz YPEMZPOVYAKQNO-DEOSSOPVSA-N -1 0 348.468 3.549 20 0 EHADRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2nnc(C(C)C)o2)c1 ZINC000340637447 1019038046 /nfs/dbraw/zinc/03/80/46/1019038046.db2.gz GRRQMSXENFYPOA-UHFFFAOYSA-N -1 0 343.836 3.600 20 0 EHADRM C[C@@H](NC(=O)CC1(C)CCCCC1)c1ccc(OCC(=O)[O-])cc1 ZINC000580330606 1019044100 /nfs/dbraw/zinc/04/41/00/1019044100.db2.gz OKGRJFHEQUTLKE-CQSZACIVSA-N -1 0 333.428 3.688 20 0 EHADRM O=C([O-])c1nc(C(=O)N2CCCCC[C@H]2c2ccccc2)cs1 ZINC000909404568 1019085673 /nfs/dbraw/zinc/08/56/73/1019085673.db2.gz NMKUSXHUQSEYMY-AWEZNQCLSA-N -1 0 330.409 3.599 20 0 EHADRM [S-]c1cccc(Nc2ncccc2I)c1 ZINC001210945216 1019094892 /nfs/dbraw/zinc/09/48/92/1019094892.db2.gz HKGQUGVZUAISCU-UHFFFAOYSA-N -1 0 328.178 3.719 20 0 EHADRM O=C([O-])c1ccccc1Nc1ccccc1C(=O)Nc1cccnc1 ZINC001210967396 1019145714 /nfs/dbraw/zinc/14/57/14/1019145714.db2.gz FORBFNTVUKDDKY-UHFFFAOYSA-N -1 0 333.347 3.776 20 0 EHADRM CCOc1c(CNc2cccc(C(=O)[O-])c2C)c(C)nn1CC(C)C ZINC000340677505 1019177142 /nfs/dbraw/zinc/17/71/42/1019177142.db2.gz KONITHAPCZTNPE-UHFFFAOYSA-N -1 0 345.443 3.865 20 0 EHADRM CCSc1ccc(Cl)cc1[N-]C(=S)NC[C@H]1CCCO1 ZINC000729163408 1019213045 /nfs/dbraw/zinc/21/30/45/1019213045.db2.gz YSGFWRIEFRBWTK-LLVKDONJSA-N -1 0 330.906 3.917 20 0 EHADRM CCC(C)(C)N(C)C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000069457645 1019219713 /nfs/dbraw/zinc/21/97/13/1019219713.db2.gz GUNKFPJLRGUFJB-UHFFFAOYSA-N -1 0 343.221 3.800 20 0 EHADRM Cc1cc(F)c(S(=O)(=O)[N-]c2cccc3ccn(C)c32)cc1F ZINC000471579974 1019398895 /nfs/dbraw/zinc/39/88/95/1019398895.db2.gz CZHAVVQKRVAOEI-UHFFFAOYSA-N -1 0 336.363 3.566 20 0 EHADRM COc1cc(NC(=O)c2ccc(Cl)c([O-])c2)ccc1OC(F)F ZINC001167413801 1019504746 /nfs/dbraw/zinc/50/47/46/1019504746.db2.gz JYRKGRSRCPQWHD-UHFFFAOYSA-N -1 0 343.713 3.908 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])c(OCc2ccccc2)c1 ZINC000262148714 1019548658 /nfs/dbraw/zinc/54/86/58/1019548658.db2.gz PCUYXAKNDOCBNA-CVEARBPZSA-N -1 0 339.391 3.623 20 0 EHADRM CCCCS[C@H](C)C(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1 ZINC000262481021 1019640844 /nfs/dbraw/zinc/64/08/44/1019640844.db2.gz DJFVTPPFNNTSPH-GFCCVEGCSA-N -1 0 334.441 3.586 20 0 EHADRM CC(C)(C)c1cc(CN2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])no1 ZINC000580572351 1019657422 /nfs/dbraw/zinc/65/74/22/1019657422.db2.gz TXFSLYBSSAGRIA-HOCLYGCPSA-N -1 0 334.460 3.828 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cccc3c2OC(C)(C)C3)cc1 ZINC000656253245 1019679302 /nfs/dbraw/zinc/67/93/02/1019679302.db2.gz UUTGMMGIWNHSQO-LBPRGKRZSA-N -1 0 339.391 3.841 20 0 EHADRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc(C)c(C(C)=O)c1 ZINC000580582043 1019689029 /nfs/dbraw/zinc/68/90/29/1019689029.db2.gz LSGLUNXJMLXGJZ-UHFFFAOYSA-N -1 0 347.436 3.624 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)cc1 ZINC000580609940 1019739814 /nfs/dbraw/zinc/73/98/14/1019739814.db2.gz HRZNGATVYRIPIA-TYNCELHUSA-N -1 0 338.473 3.658 20 0 EHADRM CC(C)c1cccc2c1CCN(C(=O)C1CCC(C(=O)[O-])CC1)C2 ZINC000262841713 1019741970 /nfs/dbraw/zinc/74/19/70/1019741970.db2.gz CZTZGROPZXUEEK-UHFFFAOYSA-N -1 0 329.440 3.586 20 0 EHADRM CC(C)[C@H](C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1)c1cccc(Cl)c1 ZINC000262894417 1019759569 /nfs/dbraw/zinc/75/95/69/1019759569.db2.gz HRMCUNLLAZOVDE-WQVCFCJDSA-N -1 0 337.847 3.649 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)CC/C=C/c2ccccc2)C[C@@H]1c1ccccc1 ZINC000262902967 1019763597 /nfs/dbraw/zinc/76/35/97/1019763597.db2.gz MMNDCWYOYFEOQF-DGDLXGGDSA-N -1 0 349.430 3.807 20 0 EHADRM C[C@@]1(NC(=O)c2[nH]c3ccccc3c2Cl)CCCC[C@@H]1C(=O)[O-] ZINC000262928181 1019768030 /nfs/dbraw/zinc/76/80/30/1019768030.db2.gz ZZIAKZRIPJYDSA-PIGZYNQJSA-N -1 0 334.803 3.585 20 0 EHADRM C[C@@]1(NC(=O)c2[nH]c3ccccc3c2Cl)CCCC[C@H]1C(=O)[O-] ZINC000262928174 1019768811 /nfs/dbraw/zinc/76/88/11/1019768811.db2.gz ZZIAKZRIPJYDSA-APPDUMDISA-N -1 0 334.803 3.585 20 0 EHADRM COc1cc(NC(=O)[C@@H]2C[C@@H]2c2sccc2C)ccc1C(=O)[O-] ZINC000262950548 1019775794 /nfs/dbraw/zinc/77/57/94/1019775794.db2.gz MTTVJJNTHYYTJH-QWHCGFSZSA-N -1 0 331.393 3.506 20 0 EHADRM Cc1sc(C(=O)N2CCC[C@H]2CC(=O)[O-])cc1-c1ccc(F)cc1 ZINC000262953964 1019777450 /nfs/dbraw/zinc/77/74/50/1019777450.db2.gz NCGRNVWXHOHFAC-AWEZNQCLSA-N -1 0 347.411 3.942 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)n[nH]c1C1CC1 ZINC000760322253 1032856574 /nfs/dbraw/zinc/85/65/74/1032856574.db2.gz YARYBBNHBDLSRA-UHFFFAOYSA-N -1 0 333.457 3.694 20 0 EHADRM Cc1nc(C(=O)N2CC[C@@H](C)C3(CCCCC3)C2)ccc1C(=O)[O-] ZINC000263349304 1019883793 /nfs/dbraw/zinc/88/37/93/1019883793.db2.gz OZPTXLXLSYTTIH-CYBMUJFWSA-N -1 0 330.428 3.521 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)Cc2ccc(Cl)s2)cc1)C(=O)[O-] ZINC000263523274 1019924548 /nfs/dbraw/zinc/92/45/48/1019924548.db2.gz IIVZCYFAQYHKPA-JTQLQIEISA-N -1 0 337.828 3.846 20 0 EHADRM c1ccc([C@@H]2CCC[C@H](N=c3[n-]c(C4CCOCC4)no3)C2)cc1 ZINC000580761563 1019990806 /nfs/dbraw/zinc/99/08/06/1019990806.db2.gz JYNHHWUMJVAIHI-SJORKVTESA-N -1 0 327.428 3.524 20 0 EHADRM CCC(CC)(CC(=O)Nc1ccc(Br)c(F)c1)C(=O)[O-] ZINC000088083200 1020032137 /nfs/dbraw/zinc/03/21/37/1020032137.db2.gz MKFOGJOCGFPTSY-UHFFFAOYSA-N -1 0 346.196 3.808 20 0 EHADRM CC[C@]1(C)C[C@@H]1C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000455937146 1032884412 /nfs/dbraw/zinc/88/44/12/1032884412.db2.gz UZQBRSHEQZAKRO-TYNCELHUSA-N -1 0 329.318 3.541 20 0 EHADRM CCCn1ccc2ccc(NC(=O)N[C@H](C(=O)[O-])[C@H](C)CC)cc21 ZINC000581049725 1020384312 /nfs/dbraw/zinc/38/43/12/1020384312.db2.gz HLYKNPMLQSLMNS-WBMJQRKESA-N -1 0 331.416 3.672 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(Cl)c(Br)c1 ZINC000263487099 1020415665 /nfs/dbraw/zinc/41/56/65/1020415665.db2.gz HOHKJVXFEKUXDU-MWLCHTKSSA-N -1 0 346.652 3.788 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cc2ccccc2c(=O)[nH]1 ZINC000345699766 1020441174 /nfs/dbraw/zinc/44/11/74/1020441174.db2.gz LMTMKJYWWJFVGE-UHFFFAOYSA-N -1 0 332.718 3.691 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)N([C@@H](C)C(=O)[O-])C1CCC1 ZINC000581169173 1020500392 /nfs/dbraw/zinc/50/03/92/1020500392.db2.gz ZUJONUMTWAOZJG-STQMWFEESA-N -1 0 344.411 3.839 20 0 EHADRM Cc1[nH]c2c(cc(C)cc2CNC(=O)c2ccc(C(=O)[O-])s2)c1C ZINC000345776380 1020503882 /nfs/dbraw/zinc/50/38/82/1020503882.db2.gz ABPGSWKWOJEWKB-UHFFFAOYSA-N -1 0 342.420 3.783 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])C[N@@H+]1Cc1cc(Cl)ccc1Br ZINC000263532191 1020507033 /nfs/dbraw/zinc/50/70/33/1020507033.db2.gz XDGIQFSPZJGYLP-UWVGGRQHSA-N -1 0 346.652 3.788 20 0 EHADRM COc1ccc2cc(CNC(=O)c3c([O-])cc(F)cc3F)ccc2c1 ZINC000066043061 1020523432 /nfs/dbraw/zinc/52/34/32/1020523432.db2.gz PXXKFOAYHUBCQT-UHFFFAOYSA-N -1 0 343.329 3.762 20 0 EHADRM O=C(C[C@@]1(C(=O)[O-])CCOC1)Nc1ccc(SC2CCCC2)cc1 ZINC000656482044 1020701717 /nfs/dbraw/zinc/70/17/17/1020701717.db2.gz UYXPPCVKNSMRLT-SFHVURJKSA-N -1 0 349.452 3.541 20 0 EHADRM CC(C)(CC(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1)C(=O)[O-] ZINC000368009921 1020748796 /nfs/dbraw/zinc/74/87/96/1020748796.db2.gz YGSAFZLCVXESMR-LBPRGKRZSA-N -1 0 343.345 3.522 20 0 EHADRM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)Nc1ccc2c(c1)C=CCCC2 ZINC000656505875 1020766854 /nfs/dbraw/zinc/76/68/54/1020766854.db2.gz GLBGWGXEIPKXAJ-SZMVWBNQSA-N -1 0 340.423 3.753 20 0 EHADRM O=C([O-])C12CC(C1)CN2C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000656506893 1020769516 /nfs/dbraw/zinc/76/95/16/1020769516.db2.gz VYYQXUBWACVZFE-UHFFFAOYSA-N -1 0 349.601 3.728 20 0 EHADRM Cc1ccc2cccc([N-]S(=O)(=O)c3cccc(C)c3F)c2n1 ZINC000313218245 1020795110 /nfs/dbraw/zinc/79/51/10/1020795110.db2.gz OEQGGQXMTYIMME-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM COc1cc(Br)nc(Nc2ccc(C(=O)[O-])cc2C)c1 ZINC001211620751 1032935154 /nfs/dbraw/zinc/93/51/54/1032935154.db2.gz DVXPXOWQFFHHAO-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM C=CC[C@H](C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000188637560 1020865044 /nfs/dbraw/zinc/86/50/44/1020865044.db2.gz ILZZANSUHZIGFO-INIZCTEOSA-N -1 0 349.839 3.505 20 0 EHADRM Cc1cc(Cl)c(NC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1Cl ZINC000389928392 1020881011 /nfs/dbraw/zinc/88/10/11/1020881011.db2.gz VGLUFNOMTPHYJP-ZJUUUORDSA-N -1 0 345.226 3.876 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1noc2c1CCCCC2 ZINC000156206655 1020906996 /nfs/dbraw/zinc/90/69/96/1020906996.db2.gz ZCELRGUJJFMZJF-UHFFFAOYSA-N -1 0 329.381 3.626 20 0 EHADRM C[C@H](N=c1[n-]nc(C2CC2)s1)c1ccc(Br)cc1F ZINC000341118683 1020980638 /nfs/dbraw/zinc/98/06/38/1020980638.db2.gz BSQLRUYXSRMYDB-ZETCQYMHSA-N -1 0 342.237 3.912 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc3c(c2)C=CCCC3)C1 ZINC000656604515 1020991564 /nfs/dbraw/zinc/99/15/64/1020991564.db2.gz GPPGGYSJXZPFME-BBRMVZONSA-N -1 0 328.412 3.611 20 0 EHADRM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2O)c1 ZINC000656625448 1021055040 /nfs/dbraw/zinc/05/50/40/1021055040.db2.gz CHIORQRBWZYUPK-NSHDSACASA-N -1 0 339.388 3.509 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000341190925 1021066635 /nfs/dbraw/zinc/06/66/35/1021066635.db2.gz JZXRKTGMMXBPCT-UHFFFAOYSA-N -1 0 327.384 3.690 20 0 EHADRM COc1cccc(/C=C/c2cc(C(=O)[O-])c3cnn(C(C)C)c3n2)c1 ZINC000518418043 1021169461 /nfs/dbraw/zinc/16/94/61/1021169461.db2.gz SKRMOLFBIDQANE-BQYQJAHWSA-N -1 0 337.379 3.889 20 0 EHADRM O=C(NCCc1cccc2cccnc21)c1cc(F)cc(Cl)c1[O-] ZINC000436767495 1021215382 /nfs/dbraw/zinc/21/53/82/1021215382.db2.gz GPOCEZDZKAAKLD-UHFFFAOYSA-N -1 0 344.773 3.705 20 0 EHADRM O=C(Nc1ccc(-c2cc(=O)[nH][nH]2)cc1)c1cc(F)cc(Cl)c1[O-] ZINC000436767525 1021218341 /nfs/dbraw/zinc/21/83/41/1021218341.db2.gz BQTWXEXCZUUFTE-UHFFFAOYSA-N -1 0 347.733 3.533 20 0 EHADRM CCc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)c(O)c1 ZINC000436797973 1021242687 /nfs/dbraw/zinc/24/26/87/1021242687.db2.gz QAWYJBBSPGSENU-FQEVSTJZSA-N -1 0 332.403 3.869 20 0 EHADRM CC(C)(C)[C@@H]1CN(C(=O)c2c([O-])cc(Cl)cc2Cl)CCO1 ZINC000436805233 1021250804 /nfs/dbraw/zinc/25/08/04/1021250804.db2.gz RDMKOILBCRVKJQ-LBPRGKRZSA-N -1 0 332.227 3.586 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CCOc2ccccc2CC)c1 ZINC000436832215 1021264521 /nfs/dbraw/zinc/26/45/21/1021264521.db2.gz GYLIDVJRXBUVAH-UHFFFAOYSA-N -1 0 341.407 3.955 20 0 EHADRM O=C(N[C@@H]1CCC[C@H]1c1ccccc1)c1nn(-c2ccccc2)cc1[O-] ZINC000439264065 1021288077 /nfs/dbraw/zinc/28/80/77/1021288077.db2.gz UQXNAANNSLDPOW-ZWKOTPCHSA-N -1 0 347.418 3.644 20 0 EHADRM CC1(C)CO[C@@H](c2cccc(F)c2)CN1Cc1ccc(C(=O)[O-])cc1 ZINC000656765693 1021294661 /nfs/dbraw/zinc/29/46/61/1021294661.db2.gz NNYWXONHORGFRU-GOSISDBHSA-N -1 0 343.398 3.876 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)c1 ZINC000436859717 1021299155 /nfs/dbraw/zinc/29/91/55/1021299155.db2.gz CJASYHILBCLOSP-LSDHHAIUSA-N -1 0 329.783 3.990 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2ccc(OCC3CC3)cc2)c1 ZINC000436866773 1021305670 /nfs/dbraw/zinc/30/56/70/1021305670.db2.gz YXMNNNWSOLIRBR-UHFFFAOYSA-N -1 0 325.364 3.636 20 0 EHADRM COc1ccc(/C=C/c2nc3ccc(C(=O)[O-])cc3o2)cc1OC ZINC000439277633 1021312840 /nfs/dbraw/zinc/31/28/40/1021312840.db2.gz OIQZEBNOXPFWBV-XBXARRHUSA-N -1 0 325.320 3.714 20 0 EHADRM COc1ccc(/C=C\c2nc3ccc(C(=O)[O-])cc3o2)cc1OC ZINC000439277634 1021312915 /nfs/dbraw/zinc/31/29/15/1021312915.db2.gz OIQZEBNOXPFWBV-YWEYNIOJSA-N -1 0 325.320 3.714 20 0 EHADRM COc1ccc(/C=C/c2nc3ccc(C(=O)[O-])cc3o2)c(OC)c1 ZINC000439278752 1021316417 /nfs/dbraw/zinc/31/64/17/1021316417.db2.gz QFICBMNMMVGLHE-VMPITWQZSA-N -1 0 325.320 3.714 20 0 EHADRM [O-]c1cc(Cl)ccc1-c1nc(-c2ccc3c(c2)OCCO3)no1 ZINC000436904394 1021349585 /nfs/dbraw/zinc/34/95/85/1021349585.db2.gz PUWVQKMYENNDCR-UHFFFAOYSA-N -1 0 330.727 3.534 20 0 EHADRM CCOC(=O)CCc1ccc(NC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000436897886 1021360121 /nfs/dbraw/zinc/36/01/21/1021360121.db2.gz DADHADHXUZSNJA-UHFFFAOYSA-N -1 0 347.798 3.794 20 0 EHADRM CCc1cnc(CNC(=O)c2cc(Cl)c3ccccc3c2[O-])o1 ZINC000436913939 1021367802 /nfs/dbraw/zinc/36/78/02/1021367802.db2.gz HUTILRLCLOHUKY-UHFFFAOYSA-N -1 0 330.771 3.679 20 0 EHADRM CC(=O)c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2F)ccc1F ZINC000507583573 1021372903 /nfs/dbraw/zinc/37/29/03/1021372903.db2.gz MTFUUWBGUJZJBA-UHFFFAOYSA-N -1 0 345.754 3.622 20 0 EHADRM CCc1ncc(S(=O)(=O)[N-]c2cc(C)c(F)cc2Cl)s1 ZINC000507586673 1021375829 /nfs/dbraw/zinc/37/58/29/1021375829.db2.gz UUJQKGKEWOENCC-UHFFFAOYSA-N -1 0 334.825 3.607 20 0 EHADRM O=C(Nc1ccc(N2CCCC2=O)cc1)c1cc(F)cc(Cl)c1[O-] ZINC000436922618 1021379628 /nfs/dbraw/zinc/37/96/28/1021379628.db2.gz ZDZWJLMHWDZAHY-UHFFFAOYSA-N -1 0 348.761 3.564 20 0 EHADRM C[C@@H](NC(=O)c1c(O)cccc1F)c1ccc(OC(F)F)cc1 ZINC000436950054 1021392790 /nfs/dbraw/zinc/39/27/90/1021392790.db2.gz XZJBZMRZWNCJKG-SECBINFHSA-N -1 0 325.286 3.624 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)Nc2cccc(F)c2)CC1 ZINC000669493230 1032976104 /nfs/dbraw/zinc/97/61/04/1032976104.db2.gz QSYZIRCPKSRKSG-UHFFFAOYSA-N -1 0 342.370 3.935 20 0 EHADRM C[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000436943575 1021406695 /nfs/dbraw/zinc/40/66/95/1021406695.db2.gz MQBRXNQUBKWQTK-GPHJXTMHSA-N -1 0 349.789 3.868 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@@H]2CCCc3sc(Cl)cc32)CCCC1 ZINC000427450481 1021408495 /nfs/dbraw/zinc/40/84/95/1021408495.db2.gz MPNCNHSGIRQMAG-LLVKDONJSA-N -1 0 341.860 3.930 20 0 EHADRM CN(C(=O)c1ccc(Cl)cc1O)[C@H](c1ncc[nH]1)c1ccccc1 ZINC000436964911 1021411790 /nfs/dbraw/zinc/41/17/90/1021411790.db2.gz IBKLEVXZYONHFB-INIZCTEOSA-N -1 0 341.798 3.630 20 0 EHADRM CCOc1cc(-c2nc([C@@](C)(OC)C3CC3)no2)cc(Cl)c1O ZINC000436955939 1021420858 /nfs/dbraw/zinc/42/08/58/1021420858.db2.gz NUKUGTWVZFYCFT-INIZCTEOSA-N -1 0 338.791 3.766 20 0 EHADRM O=C(Nc1ccc(OC(F)F)c2cccnc12)c1c([O-])cccc1F ZINC000436968866 1021423701 /nfs/dbraw/zinc/42/37/01/1021423701.db2.gz WCZWMHOWZDGJAP-UHFFFAOYSA-N -1 0 348.280 3.933 20 0 EHADRM C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000296774829 1021430071 /nfs/dbraw/zinc/43/00/71/1021430071.db2.gz DMXSXPZOIGIQAX-RNFRBKRXSA-N -1 0 341.251 3.613 20 0 EHADRM CC1CCC(N(C[C@@H]2CCCO2)C(=O)c2c([O-])cccc2F)CC1 ZINC000436981116 1021436745 /nfs/dbraw/zinc/43/67/45/1021436745.db2.gz PTBRVLYRDLXIAS-NRXISQOPSA-N -1 0 335.419 3.731 20 0 EHADRM Cc1c(NC(=O)c2c([O-])cccc2F)cnn1-c1cc(C)ccc1C ZINC000436990443 1021444542 /nfs/dbraw/zinc/44/45/42/1021444542.db2.gz RXJIRZIMMCMWCG-UHFFFAOYSA-N -1 0 339.370 3.895 20 0 EHADRM CC(C)c1ccccc1OCCC(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000507706219 1021460444 /nfs/dbraw/zinc/46/04/44/1021460444.db2.gz BGVWWLXDNBTCBN-UHFFFAOYSA-N -1 0 347.484 3.789 20 0 EHADRM C[C@@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1c(F)cccc1F ZINC000437002779 1021460906 /nfs/dbraw/zinc/46/09/06/1021460906.db2.gz HWXDAGILSGKQGD-SSDOTTSWSA-N -1 0 329.705 3.954 20 0 EHADRM O=C(N[C@H]1CC[C@H](c2ccc(F)cc2)C1)c1cc(F)c([O-])c(F)c1 ZINC000436999584 1021470714 /nfs/dbraw/zinc/47/07/14/1021470714.db2.gz KAGUODJVBSHRSE-FZMZJTMJSA-N -1 0 335.325 3.876 20 0 EHADRM CC[C@@H](C(=O)NNC(=O)c1oc2ccccc2c1C)c1ccccc1 ZINC000028665070 1021499825 /nfs/dbraw/zinc/49/98/25/1021499825.db2.gz LVFVGWNLDDRSJO-OAHLLOKOSA-N -1 0 336.391 3.696 20 0 EHADRM CC(C)c1csc([N-]S(=O)(=O)Cc2ccc(Cl)cc2)n1 ZINC000650450424 1021535636 /nfs/dbraw/zinc/53/56/36/1021535636.db2.gz OOXFETMOBJPDEG-UHFFFAOYSA-N -1 0 330.862 3.862 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CC2(CCC2)[C@H]1C1CC1 ZINC000518794487 1021568780 /nfs/dbraw/zinc/56/87/80/1021568780.db2.gz FLYVUJLJRJUXTL-CQSZACIVSA-N -1 0 325.330 3.816 20 0 EHADRM O=S(=O)([N-]c1cccc(-c2cc[nH]n2)c1)c1ccc(Cl)s1 ZINC000032086183 1021581309 /nfs/dbraw/zinc/58/13/09/1021581309.db2.gz QNBOHBPKNNPWKY-UHFFFAOYSA-N -1 0 339.829 3.592 20 0 EHADRM CC(C)Sc1ccccc1NC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000581715649 1021608014 /nfs/dbraw/zinc/60/80/14/1021608014.db2.gz IORBRUCGCZHXQS-CYBMUJFWSA-N -1 0 336.457 3.906 20 0 EHADRM Cc1ccc(-c2csc([N-]S(=O)(=O)CCCCF)n2)c(C)c1 ZINC000519730498 1021637932 /nfs/dbraw/zinc/63/79/32/1021637932.db2.gz SLFDDMUNCPYVRG-UHFFFAOYSA-N -1 0 342.461 3.918 20 0 EHADRM CCCCCc1nnc([N-]S(=O)(=O)c2ccc(C)cc2F)s1 ZINC000437202029 1021640272 /nfs/dbraw/zinc/64/02/72/1021640272.db2.gz ZUNCEODORZHSTJ-UHFFFAOYSA-N -1 0 343.449 3.519 20 0 EHADRM C[C@@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000171342910 1032999291 /nfs/dbraw/zinc/99/92/91/1032999291.db2.gz AXGAINMMTVYQHS-ZDUSSCGKSA-N -1 0 341.436 3.808 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc3ccccc3n2)cc(C)c1F ZINC000437391880 1021779601 /nfs/dbraw/zinc/77/96/01/1021779601.db2.gz IWVJYCYBULDAKS-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM CCSc1ccc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000439926207 1021831390 /nfs/dbraw/zinc/83/13/90/1021831390.db2.gz VZAGYPCKGWBXNP-SUMWQHHRSA-N -1 0 343.448 3.990 20 0 EHADRM CCSc1ccc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000439926205 1021831676 /nfs/dbraw/zinc/83/16/76/1021831676.db2.gz VZAGYPCKGWBXNP-DYVFJYSZSA-N -1 0 343.448 3.990 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2nsc(-c3ccccc3)n2)c1 ZINC000430662427 1021882672 /nfs/dbraw/zinc/88/26/72/1021882672.db2.gz RNQBRVILJCVKFD-UHFFFAOYSA-N -1 0 345.449 3.568 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N2CCSC[C@@H]2c2ccccc2)CC1 ZINC000517032857 1021960527 /nfs/dbraw/zinc/96/05/27/1021960527.db2.gz IPQORHCDCDGTIF-BDVYOWHSSA-N -1 0 347.480 3.584 20 0 EHADRM O=C(N=c1[n-]ncs1)N[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000517084747 1022002831 /nfs/dbraw/zinc/00/28/31/1022002831.db2.gz MOWBDKOQVGSUHL-ZDUSSCGKSA-N -1 0 336.848 3.666 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N[C@H]2C[C@H]2Cc2ccccc2)s1 ZINC000437649660 1022020272 /nfs/dbraw/zinc/02/02/72/1022020272.db2.gz YUAIDXBSOBHPPM-CABCVRRESA-N -1 0 344.484 3.616 20 0 EHADRM O=S(=O)([N-]c1ccc(OCc2ccccc2)cc1)c1ccco1 ZINC000437652523 1022029253 /nfs/dbraw/zinc/02/92/53/1022029253.db2.gz IEWPABYNAFKIHH-UHFFFAOYSA-N -1 0 329.377 3.659 20 0 EHADRM COc1ccccc1-c1cccc([N-]S(=O)(=O)c2ccco2)c1 ZINC000437663311 1022038896 /nfs/dbraw/zinc/03/88/96/1022038896.db2.gz WFYBZTCBXQCALN-UHFFFAOYSA-N -1 0 329.377 3.756 20 0 EHADRM CC(C)(C)c1nc2ccc([N-]S(=O)(=O)c3ccco3)cc2s1 ZINC000437668014 1022039459 /nfs/dbraw/zinc/03/94/59/1022039459.db2.gz PJZZMPZTEARICE-UHFFFAOYSA-N -1 0 336.438 3.988 20 0 EHADRM O=S(=O)([N-]c1ccccc1Nc1ccc(F)cc1)c1ccco1 ZINC000437666795 1022039576 /nfs/dbraw/zinc/03/95/76/1022039576.db2.gz MNAHBJILAIMNIH-UHFFFAOYSA-N -1 0 332.356 3.963 20 0 EHADRM COc1c(C)ccc([N-]S(=O)(=O)c2cc(C)c(F)cc2F)c1C ZINC000440298339 1022076494 /nfs/dbraw/zinc/07/64/94/1022076494.db2.gz YHNAIYURSINJQP-UHFFFAOYSA-N -1 0 341.379 3.699 20 0 EHADRM Cc1ccc(C(=O)N=c2nc(Sc3ccc(C)cc3)[n-]s2)o1 ZINC000440318812 1022101287 /nfs/dbraw/zinc/10/12/87/1022101287.db2.gz TVOCEGPZRRAFCP-UHFFFAOYSA-N -1 0 331.422 3.573 20 0 EHADRM O=S(=O)([N-]c1nc2cc(Cl)ccc2s1)c1ccsc1 ZINC000506830364 1022126465 /nfs/dbraw/zinc/12/64/65/1022126465.db2.gz MEGWQMVZZYVBNM-UHFFFAOYSA-N -1 0 330.843 3.812 20 0 EHADRM CCc1nc(CNCc2cc3cc(C)c(C)cc3o2)ccc1C(=O)[O-] ZINC000426651305 1022148243 /nfs/dbraw/zinc/14/82/43/1022148243.db2.gz LIMKLOJLVOAOOV-UHFFFAOYSA-N -1 0 338.407 3.995 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N[C@@H]2CCc3cc(F)ccc32)s1 ZINC000510484923 1022170496 /nfs/dbraw/zinc/17/04/96/1022170496.db2.gz IBHKVFGXUCRGPP-CQSZACIVSA-N -1 0 348.447 3.812 20 0 EHADRM CCc1ccc(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000237144647 1022201277 /nfs/dbraw/zinc/20/12/77/1022201277.db2.gz BCNVZZQELBHOEJ-BJMVGYQFSA-N -1 0 340.335 3.507 20 0 EHADRM Cc1cc(NC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)ccc1C(F)(F)F ZINC000574324020 1033041175 /nfs/dbraw/zinc/04/11/75/1033041175.db2.gz QGHGEJQKXKJPQN-JOYOIKCWSA-N -1 0 344.333 3.588 20 0 EHADRM c1ccc(COCc2ccccc2CN=c2[n-]nc(C3CC3)o2)cc1 ZINC000341554871 1022303179 /nfs/dbraw/zinc/30/31/79/1022303179.db2.gz XULHAIBDQWRRRI-UHFFFAOYSA-N -1 0 335.407 3.698 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655574625 1022390995 /nfs/dbraw/zinc/39/09/95/1022390995.db2.gz BXVXEFLBNDPRTH-UOVPBQLFSA-N -1 0 345.483 3.897 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)[C@H](C)CC1CCCC1 ZINC000550121254 1022514926 /nfs/dbraw/zinc/51/49/26/1022514926.db2.gz ZUHPGZKEZSJBNL-GFCCVEGCSA-N -1 0 328.416 3.641 20 0 EHADRM C[C@H](NCc1cc(Br)cs1)c1nc(C(=O)[O-])cs1 ZINC000630465708 1022541054 /nfs/dbraw/zinc/54/10/54/1022541054.db2.gz WYCFPOSVMDPQTO-LURJTMIESA-N -1 0 347.259 3.516 20 0 EHADRM C[C@@H](c1ccccc1F)N(C)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000330639712 1022625729 /nfs/dbraw/zinc/62/57/29/1022625729.db2.gz PKZADSYCFZHAQV-JTQLQIEISA-N -1 0 336.436 3.622 20 0 EHADRM COc1cc(C(=O)[O-])cc(NCc2cccc(Cl)c2F)c1OC ZINC000517762919 1022645483 /nfs/dbraw/zinc/64/54/83/1022645483.db2.gz GEAGJGWRLDYNEL-UHFFFAOYSA-N -1 0 339.750 3.807 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nc(C(C)(C)C)cs2)cc1F ZINC000557319643 1022684301 /nfs/dbraw/zinc/68/43/01/1022684301.db2.gz DOFRNDCIZHBFHH-UHFFFAOYSA-N -1 0 328.434 3.689 20 0 EHADRM CCn1c(Cc2c[nH]c3ccccc23)n[n-]c1=Nc1cccc(OC)c1 ZINC000460304975 1033075884 /nfs/dbraw/zinc/07/58/84/1033075884.db2.gz RCFIMFUDBFGBPR-UHFFFAOYSA-N -1 0 347.422 3.544 20 0 EHADRM CC(C)(C)[C@@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C1 ZINC000331087091 1022739560 /nfs/dbraw/zinc/73/95/60/1022739560.db2.gz RTNOROPNVLWBMH-CYBMUJFWSA-N -1 0 345.418 3.615 20 0 EHADRM O=S(=O)([N-]c1ccccc1Oc1ccncc1)c1cccs1 ZINC000111995595 1022783952 /nfs/dbraw/zinc/78/39/52/1022783952.db2.gz NELRMWLQKJYHPU-UHFFFAOYSA-N -1 0 332.406 3.736 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N(CC1CC1)C1CCCCC1 ZINC000262053080 1022825655 /nfs/dbraw/zinc/82/56/55/1022825655.db2.gz APUIWYZUPMVWEH-UHFFFAOYSA-N -1 0 329.440 3.889 20 0 EHADRM Cc1nc(CNCc2ccc(Cl)c3cccnc23)sc1C(=O)[O-] ZINC000426672287 1022890669 /nfs/dbraw/zinc/89/06/69/1022890669.db2.gz QWKXUYXTEOAXDM-UHFFFAOYSA-N -1 0 347.827 3.641 20 0 EHADRM CC1(C)CN(C(=O)c2ccc3[n-]c(=S)oc3c2)[C@@H]1c1ccncc1 ZINC000293742706 1022904494 /nfs/dbraw/zinc/90/44/94/1022904494.db2.gz BFRBBXBFYAZAPY-OAHLLOKOSA-N -1 0 339.420 3.735 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3[nH]ccc32)c1 ZINC000112266551 1022914234 /nfs/dbraw/zinc/91/42/34/1022914234.db2.gz ZMFANWMUMQIFGI-UHFFFAOYSA-N -1 0 336.800 3.631 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@H]1CCCc2ccccc21 ZINC000262057950 1022943780 /nfs/dbraw/zinc/94/37/80/1022943780.db2.gz GOTWSHLCDSIUDL-OALUTQOASA-N -1 0 337.419 3.747 20 0 EHADRM COc1ccc2ccccc2c1CNCc1nc(C)c(C(=O)[O-])s1 ZINC000426704217 1022975008 /nfs/dbraw/zinc/97/50/08/1022975008.db2.gz JRJURNNWYVJWNZ-UHFFFAOYSA-N -1 0 342.420 3.601 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCCOc2ccccc2)s1 ZINC000048527462 1022990520 /nfs/dbraw/zinc/99/05/20/1022990520.db2.gz OBPBERIBWKEPAH-UHFFFAOYSA-N -1 0 339.438 3.561 20 0 EHADRM O=C([O-])[C@H](NCc1cccc(Cl)c1F)c1c(F)cccc1F ZINC000426743079 1023010559 /nfs/dbraw/zinc/01/05/59/1023010559.db2.gz RTPRRTNZULULCS-CQSZACIVSA-N -1 0 329.705 3.673 20 0 EHADRM CCC[C@H](C(=O)[O-])[S@@](=O)[C@H](C)c1cccc(Br)c1 ZINC000562978529 1023049958 /nfs/dbraw/zinc/04/99/58/1023049958.db2.gz ULJHDGCSHVQDLY-RVQCWIKKSA-N -1 0 333.247 3.512 20 0 EHADRM CC(C)C[C@H](C(=O)[O-])[S@](=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000562978618 1023050181 /nfs/dbraw/zinc/05/01/81/1023050181.db2.gz TVBIZTCHBNTGKK-WSVYEEACSA-N -1 0 342.766 3.966 20 0 EHADRM O=C([O-])[C@H](NCc1cnc(-c2cccs2)s1)c1ccsc1 ZINC000426792779 1023052017 /nfs/dbraw/zinc/05/20/17/1023052017.db2.gz NUSGPUAZEXIZEE-GFCCVEGCSA-N -1 0 336.463 3.849 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)CCC2)c1c(F)c(F)cc(F)c1F ZINC000430976058 1023057459 /nfs/dbraw/zinc/05/74/59/1023057459.db2.gz QMGZTOYHMSIECH-UHFFFAOYSA-N -1 0 345.317 3.533 20 0 EHADRM C[C@@H]1C[C@H](C)N1Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000548424394 1023084508 /nfs/dbraw/zinc/08/45/08/1023084508.db2.gz DHTYYDOTYYCEQP-PHIMTYICSA-N -1 0 343.427 3.773 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CCc1cc2ccccc2o1 ZINC000507059931 1023092760 /nfs/dbraw/zinc/09/27/60/1023092760.db2.gz QETQPMDMRQRIDZ-UHFFFAOYSA-N -1 0 337.375 3.722 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)CCC2)c1c[nH]c2cccc(F)c21 ZINC000471916553 1023165191 /nfs/dbraw/zinc/16/51/91/1023165191.db2.gz CCKXUAMZMKMLNM-UHFFFAOYSA-N -1 0 330.384 3.597 20 0 EHADRM O=c1[nH]c(-c2ccc(O)cc2Cl)nc2cc(C(F)(F)F)ccc12 ZINC000190098321 1023165965 /nfs/dbraw/zinc/16/59/65/1023165965.db2.gz XTPXTOPWUGOZMV-UHFFFAOYSA-N -1 0 340.688 3.968 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2noc3ccccc32)sc1Cl ZINC000438984153 1023190873 /nfs/dbraw/zinc/19/08/73/1023190873.db2.gz JMZDRCIQVUFIQE-UHFFFAOYSA-N -1 0 328.802 3.652 20 0 EHADRM CC(C)Cn1nccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000439007521 1023204395 /nfs/dbraw/zinc/20/43/95/1023204395.db2.gz NNRPLOXWEKHDOS-UHFFFAOYSA-N -1 0 341.502 3.699 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)[C@H]1CCOC2(CCCC2)C1)C(=O)[O-] ZINC000909433326 1023216448 /nfs/dbraw/zinc/21/64/48/1023216448.db2.gz YAVIMYFENUUCQZ-MAUKXSAKSA-N -1 0 339.476 3.656 20 0 EHADRM CCC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)CCC1 ZINC000176139479 1023238050 /nfs/dbraw/zinc/23/80/50/1023238050.db2.gz VYLSYIGLJFCWNA-UHFFFAOYSA-N -1 0 343.448 3.739 20 0 EHADRM CCC(=O)c1cccc(NC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000520489820 1023258968 /nfs/dbraw/zinc/25/89/68/1023258968.db2.gz VAAWAQCRSHPPLF-KRWDZBQOSA-N -1 0 340.379 3.569 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3C[C@H](C)CC[C@H]3C)n2)cc1 ZINC000439091604 1023266648 /nfs/dbraw/zinc/26/66/48/1023266648.db2.gz NGTJCINSUYLSJJ-HUUCEWRRSA-N -1 0 341.455 3.962 20 0 EHADRM Cc1ccc(CCC(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)o1 ZINC000471928655 1023295174 /nfs/dbraw/zinc/29/51/74/1023295174.db2.gz SDSKTUQDQHTTQK-UHFFFAOYSA-N -1 0 347.827 3.753 20 0 EHADRM O=C([O-])[C@@H](CC(=O)NCc1cc2c(s1)CCCC2)c1ccccc1 ZINC000614570678 1023295217 /nfs/dbraw/zinc/29/52/17/1023295217.db2.gz JLJYXHJZBVLTQQ-INIZCTEOSA-N -1 0 343.448 3.502 20 0 EHADRM CCn1c(C)cc(C([O-])=C[S@@](=O)[C@@H](C)c2ccc(F)cc2)c1C ZINC000341780639 1023309208 /nfs/dbraw/zinc/30/92/08/1023309208.db2.gz WUGIRKXAURYPTN-LFVRLGFBSA-N -1 0 335.444 3.957 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)s1 ZINC000431137325 1023318427 /nfs/dbraw/zinc/31/84/27/1023318427.db2.gz HWLGMBVPFSJWLN-UHFFFAOYSA-N -1 0 333.381 3.767 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OC(C)(C)O3)s1 ZINC000431144498 1023329839 /nfs/dbraw/zinc/32/98/39/1023329839.db2.gz SIBKPUCPUVWSTG-UHFFFAOYSA-N -1 0 339.438 3.673 20 0 EHADRM O=S(=O)([N-]c1cc(F)cc(F)c1F)c1ccc(Cl)s1 ZINC000431168242 1023375886 /nfs/dbraw/zinc/37/58/86/1023375886.db2.gz NWQJDOOYZWJDCP-UHFFFAOYSA-N -1 0 327.736 3.620 20 0 EHADRM CCOc1cccc(NC(=O)c2ccc(Br)c([O-])c2)c1 ZINC000133205209 1023479598 /nfs/dbraw/zinc/47/95/98/1023479598.db2.gz ADLHMELUSWOSSI-UHFFFAOYSA-N -1 0 336.185 3.806 20 0 EHADRM C[C@H](CC(=O)NCc1ccc(C(=O)[O-])cc1)Cc1ccc(Cl)cc1 ZINC000431216163 1023529727 /nfs/dbraw/zinc/52/97/27/1023529727.db2.gz MEJDJGQLFFSRRN-ZDUSSCGKSA-N -1 0 345.826 3.923 20 0 EHADRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2sccc2C)c1C1CC1 ZINC000535685747 1023563713 /nfs/dbraw/zinc/56/37/13/1023563713.db2.gz LUXGZJCDOPPHLM-LLVKDONJSA-N -1 0 339.486 3.902 20 0 EHADRM O=S(=O)([N-]c1cccc(O)c1)c1c(Cl)ccc2ccccc21 ZINC000535685885 1023565572 /nfs/dbraw/zinc/56/55/72/1023565572.db2.gz LXFGCYBGUJQBPD-UHFFFAOYSA-N -1 0 333.796 4.000 20 0 EHADRM O=S(=O)([N-]c1nnc(C2CCCCC2)o1)c1cc2ccccc2o1 ZINC000574479616 1033167846 /nfs/dbraw/zinc/16/78/46/1033167846.db2.gz FEWCRYOQBOXKJT-UHFFFAOYSA-N -1 0 347.396 3.664 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)COc1cccc(Cl)c1C ZINC000471989912 1023942447 /nfs/dbraw/zinc/94/24/47/1023942447.db2.gz VULJRRWMABIWBD-UHFFFAOYSA-N -1 0 347.798 3.981 20 0 EHADRM CSc1cccc(C)c1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC000471990983 1023947933 /nfs/dbraw/zinc/94/79/33/1023947933.db2.gz GRKBOWXDEVBVOW-UHFFFAOYSA-N -1 0 325.430 3.965 20 0 EHADRM O=c1cc(Br)c(O[C@@H](c2ccccc2)C(F)(F)F)n[n-]1 ZINC001226845510 1023975193 /nfs/dbraw/zinc/97/51/93/1023975193.db2.gz GEDCSAXVULEWSU-JTQLQIEISA-N -1 0 349.106 3.627 20 0 EHADRM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C(=O)Nc1ccc(C)cc1 ZINC000505412963 1023976419 /nfs/dbraw/zinc/97/64/19/1023976419.db2.gz DNIQOLQEPRVBAL-MRXNPFEDSA-N -1 0 341.798 3.626 20 0 EHADRM Cc1[n-]n(-c2cc(C)ccc2C)c(=O)c1C(=O)Nc1ccc(C)cc1 ZINC000505417251 1024005880 /nfs/dbraw/zinc/00/58/80/1024005880.db2.gz WLZUJBNADNHTSE-SFHVURJKSA-N -1 0 335.407 3.589 20 0 EHADRM O=S(=O)([N-]c1cccc2ccsc21)c1cc(F)ccc1F ZINC000443471423 1024016158 /nfs/dbraw/zinc/01/61/58/1024016158.db2.gz YIAOXDHSNOTGGI-UHFFFAOYSA-N -1 0 325.361 3.980 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000522539194 1024048753 /nfs/dbraw/zinc/04/87/53/1024048753.db2.gz NKTYQUUQPORMKE-QWHCGFSZSA-N -1 0 348.233 3.825 20 0 EHADRM O=C([O-])CCc1cc(-c2ccccc2OC[C@@H]2CCOC2)ccc1F ZINC000657204038 1024082158 /nfs/dbraw/zinc/08/21/58/1024082158.db2.gz FXXZYDJFVHBHKN-CQSZACIVSA-N -1 0 344.382 3.925 20 0 EHADRM CC(C)C[C@@H](C)OCCC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000191415403 1024084301 /nfs/dbraw/zinc/08/43/01/1024084301.db2.gz PECUGSGTEJVXBQ-LSDHHAIUSA-N -1 0 335.444 3.730 20 0 EHADRM CC(C)c1ccc(-c2nc(C(=O)N(CC(=O)[O-])C(C)C)cs2)cc1 ZINC000236721982 1024099112 /nfs/dbraw/zinc/09/91/12/1024099112.db2.gz SHRYVNUYWFXSTE-UHFFFAOYSA-N -1 0 346.452 3.869 20 0 EHADRM CCc1ccc(OCC(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1 ZINC000191427632 1024101950 /nfs/dbraw/zinc/10/19/50/1024101950.db2.gz RNOOTXHOXPVVFK-AWEZNQCLSA-N -1 0 341.407 3.530 20 0 EHADRM C[C@]1(C(=O)N=c2nc(-c3ccccc3)[n-]s2)CCCc2ccccc21 ZINC000522246336 1024103764 /nfs/dbraw/zinc/10/37/64/1024103764.db2.gz XQSPVTSYCBJXGF-FQEVSTJZSA-N -1 0 349.459 3.860 20 0 EHADRM Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2O)s1 ZINC000443533698 1024108875 /nfs/dbraw/zinc/10/88/75/1024108875.db2.gz WNBUYUTXHKBEJM-UHFFFAOYSA-N -1 0 340.470 3.564 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2ncn(C3CCCCC3)n2)c1 ZINC000182569697 1024110388 /nfs/dbraw/zinc/11/03/88/1024110388.db2.gz WSMDVSUAQOKBNB-UHFFFAOYSA-N -1 0 348.472 3.708 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)N2CCC[C@@H](C(C)(C)C)CC2)s1 ZINC000522621866 1024123312 /nfs/dbraw/zinc/12/33/12/1024123312.db2.gz NZMSZNYYHMAGHG-GFCCVEGCSA-N -1 0 338.521 3.938 20 0 EHADRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)CCCc1ccccc1 ZINC000191543904 1024131577 /nfs/dbraw/zinc/13/15/77/1024131577.db2.gz GMCPXGZGRWSOIY-IBGZPJMESA-N -1 0 339.435 3.602 20 0 EHADRM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)N=c1cc(C)c(C)n[n-]1 ZINC000467471598 1024139402 /nfs/dbraw/zinc/13/94/02/1024139402.db2.gz BLHCSKHYQRFIJN-ZWKOTPCHSA-N -1 0 338.455 3.705 20 0 EHADRM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(F)(F)F ZINC000443931825 1024139849 /nfs/dbraw/zinc/13/98/49/1024139849.db2.gz WYAZXRMTKIZHTB-WRWORJQWSA-N -1 0 347.761 3.734 20 0 EHADRM CC[C@H](C)[C@H](NS(=O)(=O)c1cc(C)c(C)s1)C(F)(F)F ZINC000443946047 1024144096 /nfs/dbraw/zinc/14/40/96/1024144096.db2.gz XMODBULTFGNSAU-CPCISQLKSA-N -1 0 329.409 3.620 20 0 EHADRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cccc(SC)c1 ZINC000434626930 1024223891 /nfs/dbraw/zinc/22/38/91/1024223891.db2.gz KOUJGIMJDFGQMV-UHFFFAOYSA-N -1 0 337.466 3.835 20 0 EHADRM COc1ccc(CCCC(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000237203298 1024224617 /nfs/dbraw/zinc/22/46/17/1024224617.db2.gz DLIDJONUCICHFD-NTEUORMPSA-N -1 0 339.391 3.754 20 0 EHADRM CC(C)C(=O)Nc1ccc(NC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000029368456 1024262939 /nfs/dbraw/zinc/26/29/39/1024262939.db2.gz KXWZMSSKZYHNIT-UHFFFAOYSA-N -1 0 332.787 3.892 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cc1ccc2ccccc2c1 ZINC000327079167 1024268051 /nfs/dbraw/zinc/26/80/51/1024268051.db2.gz FXWZGZQCCZWCAI-QYZOEREBSA-N -1 0 337.419 3.627 20 0 EHADRM O=C([O-])[C@@H](CC1CC1)NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000262209720 1024290394 /nfs/dbraw/zinc/29/03/94/1024290394.db2.gz KWTRRBLWTAQRLF-LJQANCHMSA-N -1 0 337.419 3.578 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000262212072 1024302526 /nfs/dbraw/zinc/30/25/26/1024302526.db2.gz PXWWONHWGMBNNJ-SFHVURJKSA-N -1 0 341.382 3.820 20 0 EHADRM CCOc1cc(CNc2cccc(C(=O)[O-])c2)ccc1OC(F)F ZINC000324013605 1024415920 /nfs/dbraw/zinc/41/59/20/1024415920.db2.gz JSZJVIGEWGAJOT-UHFFFAOYSA-N -1 0 337.322 3.997 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccccc1N1CCCCC1 ZINC000607611802 1033214117 /nfs/dbraw/zinc/21/41/17/1033214117.db2.gz YEMYOAAVRVHHNU-UHFFFAOYSA-N -1 0 336.482 3.848 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)[C@@H]2CCC[C@H](F)C2)c1 ZINC000425245290 1024504149 /nfs/dbraw/zinc/50/41/49/1024504149.db2.gz ULRANMULNXAKLE-KGLIPLIRSA-N -1 0 339.432 3.861 20 0 EHADRM CN(CC1CCCCC1)C(=O)N=c1[n-]nc(-c2ccccc2)s1 ZINC000514510801 1024527368 /nfs/dbraw/zinc/52/73/68/1024527368.db2.gz RXABDOSDMCSTKZ-UHFFFAOYSA-N -1 0 330.457 3.671 20 0 EHADRM O=C(N=c1cccn[n-]1)[C@H](Sc1ccc(F)cc1)c1ccccc1 ZINC000346050457 1024537558 /nfs/dbraw/zinc/53/75/58/1024537558.db2.gz DTVYORUZKNMGFX-QGZVFWFLSA-N -1 0 339.395 3.510 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)[C@@H]2CCOC3(CCCC3)C2)cc1)C(=O)[O-] ZINC000909522612 1024563767 /nfs/dbraw/zinc/56/37/67/1024563767.db2.gz ZJCSGFIBWBDJNA-GDBMZVCRSA-N -1 0 345.439 3.628 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccncc3)c(C)c2)cn1 ZINC000427636970 1024580327 /nfs/dbraw/zinc/58/03/27/1024580327.db2.gz NBIDSHOJGXPGAU-UHFFFAOYSA-N -1 0 339.420 3.561 20 0 EHADRM CCC[C@H](C)N(C)C(=O)N=c1[n-]nc(C(C)(C)c2ccccc2)s1 ZINC000520742713 1024592378 /nfs/dbraw/zinc/59/23/78/1024592378.db2.gz CKOJZMDSOAZDMX-ZDUSSCGKSA-N -1 0 346.500 3.938 20 0 EHADRM COCc1cc(NC(=O)C/C=C/c2cccc(F)c2)cc(C(=O)[O-])c1 ZINC000427687432 1024735311 /nfs/dbraw/zinc/73/53/11/1024735311.db2.gz ITBFGIQLMDABNQ-HWKANZROSA-N -1 0 343.354 3.712 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)c1ccc(C)c(Cl)c1Cl ZINC000835160989 1024816763 /nfs/dbraw/zinc/81/67/63/1024816763.db2.gz FIRJMGXTPPUFRM-UHFFFAOYSA-N -1 0 338.256 3.550 20 0 EHADRM O=S(=O)(NCC1(C2CC2)CC1)c1c(Cl)cc(F)cc1Cl ZINC000435428603 1024915321 /nfs/dbraw/zinc/91/53/21/1024915321.db2.gz RONWRLRVPZKLFJ-UHFFFAOYSA-N -1 0 338.231 3.601 20 0 EHADRM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2Cl)n[nH]1 ZINC000474424231 1024942693 /nfs/dbraw/zinc/94/26/93/1024942693.db2.gz BIRPMRKKMINTOW-UHFFFAOYSA-N -1 0 345.827 3.592 20 0 EHADRM COc1ccc([C@@H](NC(=O)c2ccc([O-])c(Cl)c2)C2CC2)cc1 ZINC000053722288 1024953703 /nfs/dbraw/zinc/95/37/03/1024953703.db2.gz ZTOLAAFLNWAAOK-KRWDZBQOSA-N -1 0 331.799 3.935 20 0 EHADRM C[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)N[C@H]1CCc2ccccc21 ZINC000684718541 1024956360 /nfs/dbraw/zinc/95/63/60/1024956360.db2.gz XWYUDXGTBPWAPF-KDOFPFPSSA-N -1 0 338.407 3.531 20 0 EHADRM C[C@@](NS(=O)(=O)c1csc2ccccc21)(C1CC1)C(F)(F)F ZINC000508214729 1024964775 /nfs/dbraw/zinc/96/47/75/1024964775.db2.gz MPINWTYUBHWYGC-CYBMUJFWSA-N -1 0 349.399 3.911 20 0 EHADRM O=C(Cc1ccccc1OC(F)F)Nc1cc(F)cc(Cl)c1[O-] ZINC000474440321 1024974634 /nfs/dbraw/zinc/97/46/34/1024974634.db2.gz RMZDSTAZSBXLFL-UHFFFAOYSA-N -1 0 345.704 3.967 20 0 EHADRM Cc1cc2c(cc1C)[C@@H](C(=O)Nc1cc(F)cc(Cl)c1[O-])CO2 ZINC000474446328 1024980176 /nfs/dbraw/zinc/98/01/76/1024980176.db2.gz OSADZXIAJIUPTE-LBPRGKRZSA-N -1 0 335.762 3.916 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1cc(=O)[nH]c2ccccc21 ZINC000474450853 1024986168 /nfs/dbraw/zinc/98/61/68/1024986168.db2.gz XHCZTRLICZBHEN-UHFFFAOYSA-N -1 0 332.718 3.691 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)N(C)[C@@H](CC(C)C)C(=O)[O-] ZINC000684724462 1025029953 /nfs/dbraw/zinc/02/99/53/1025029953.db2.gz ZTQJGGHTMHMEJW-ZFWWWQNUSA-N -1 0 346.427 3.943 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Cc2cccc(C(=O)[O-])c2)o1 ZINC000262152696 1025038800 /nfs/dbraw/zinc/03/88/00/1025038800.db2.gz JRYIGFUCERHKTE-GUYCJALGSA-N -1 0 341.407 3.829 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2c(C)sc3ccc(Cl)cc32)no1 ZINC000441851334 1025075302 /nfs/dbraw/zinc/07/53/02/1025075302.db2.gz XKKHTINSTKMYRW-UHFFFAOYSA-N -1 0 342.829 3.960 20 0 EHADRM Cc1cnc([C@@H](C)Sc2n[n-]c(=NCc3ccccc3)s2)cn1 ZINC000515195953 1025082827 /nfs/dbraw/zinc/08/28/27/1025082827.db2.gz FLIXMJWUYMVFMA-GFCCVEGCSA-N -1 0 343.481 3.524 20 0 EHADRM CCCN(CC1CC1)C(=O)N=c1[n-]nc(Cc2ccc(C)cc2)s1 ZINC000520855482 1025089367 /nfs/dbraw/zinc/08/93/67/1025089367.db2.gz PDJGNBJSUZVNTB-UHFFFAOYSA-N -1 0 344.484 3.513 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)CC2(CCc3ccccc3)CCCC2)C1 ZINC000435718888 1025103209 /nfs/dbraw/zinc/10/32/09/1025103209.db2.gz GYZIGXXHXBAIRW-MSOLQXFVSA-N -1 0 343.467 3.939 20 0 EHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000435721081 1025105966 /nfs/dbraw/zinc/10/59/66/1025105966.db2.gz GSNICXWPXOLTCI-UHFFFAOYSA-N -1 0 347.436 3.518 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccccc1CCC(=O)[O-] ZINC000909550335 1025122293 /nfs/dbraw/zinc/12/22/93/1025122293.db2.gz CIYBJWNWPASOCU-QAPCUYQASA-N -1 0 337.419 3.722 20 0 EHADRM CCCC1(CNC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)[O-])CCC1 ZINC000684742941 1025185474 /nfs/dbraw/zinc/18/54/74/1025185474.db2.gz YBAPTKAVNOIMJN-HNNXBMFYSA-N -1 0 332.444 3.642 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)Nc1ccc2oc(C)c(C)c2c1)C1CC1 ZINC000515371501 1025187487 /nfs/dbraw/zinc/18/74/87/1025187487.db2.gz WXEVMDCVACWZJR-OAHLLOKOSA-N -1 0 330.384 3.909 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cnn(C(C)C)c2)cc(C)c1Cl ZINC000442222652 1025220794 /nfs/dbraw/zinc/22/07/94/1025220794.db2.gz KQOXWICVMVQCAX-UHFFFAOYSA-N -1 0 327.837 3.535 20 0 EHADRM COc1c(Cl)cc(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)cc1Cl ZINC000684747472 1025229745 /nfs/dbraw/zinc/22/97/45/1025229745.db2.gz HWYCCBCIHHOZFS-LLVKDONJSA-N -1 0 349.214 3.623 20 0 EHADRM CCOCc1cccc(NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC000684747198 1025235815 /nfs/dbraw/zinc/23/58/15/1025235815.db2.gz FFNOXTPYYZLAOK-OAHLLOKOSA-N -1 0 336.432 3.624 20 0 EHADRM Cc1ccc(CCC2CCN(C(=O)CC3(C(=O)[O-])CCC3)CC2)cc1 ZINC000327693269 1025283981 /nfs/dbraw/zinc/28/39/81/1025283981.db2.gz AASWJICRCSGXNN-UHFFFAOYSA-N -1 0 343.467 3.811 20 0 EHADRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccccc1SC ZINC000436022608 1025306849 /nfs/dbraw/zinc/30/68/49/1025306849.db2.gz CDXBXVMRZSMFPB-UHFFFAOYSA-N -1 0 343.857 3.871 20 0 EHADRM Cc1cnc(-c2cccc(NC(=O)N(C)C3(C(=O)[O-])CCCC3)c2)o1 ZINC000515553368 1025347191 /nfs/dbraw/zinc/34/71/91/1025347191.db2.gz WBSAZHSQNICLEV-UHFFFAOYSA-N -1 0 343.383 3.511 20 0 EHADRM COc1ccc2nc(C)cc(C(=O)Nc3ccc(C(=O)[O-])cc3)c2c1 ZINC000346975091 1025371760 /nfs/dbraw/zinc/37/17/60/1025371760.db2.gz FHEUFUBXHOKOBT-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM C[C@H](NC(=O)CC1(C(=O)[O-])CCCC1)c1ccc2c(c1)CCCC2 ZINC000013468400 1025397269 /nfs/dbraw/zinc/39/72/69/1025397269.db2.gz DBHFVWRSEBBBFE-AWEZNQCLSA-N -1 0 329.440 3.778 20 0 EHADRM Cc1n[nH]cc1-c1n[n-]c(=NCc2cc(Cl)cc(Cl)c2)s1 ZINC000436154999 1025421060 /nfs/dbraw/zinc/42/10/60/1025421060.db2.gz MFFVWCHFSBXTLK-UHFFFAOYSA-N -1 0 340.239 3.577 20 0 EHADRM CC[C@@](C)(O)CN=c1[n-]nc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000444088284 1025446215 /nfs/dbraw/zinc/44/62/15/1025446215.db2.gz NOKWYYNPEPPGQY-CYBMUJFWSA-N -1 0 332.256 3.507 20 0 EHADRM CCc1cccc(CC)c1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000014255591 1025459765 /nfs/dbraw/zinc/45/97/65/1025459765.db2.gz ZWMNFHMXTGKCKS-UHFFFAOYSA-N -1 0 325.380 3.890 20 0 EHADRM Cc1onc([N-]S(=O)(=O)c2cc(Cl)c(C)c(Cl)c2)c1C ZINC000451044388 1025492703 /nfs/dbraw/zinc/49/27/03/1025492703.db2.gz BLVBWKMFYSBTBN-UHFFFAOYSA-N -1 0 335.212 3.707 20 0 EHADRM O=C([O-])CCC[S@](=O)c1ccc(-c2cccc3c2CCC3)cc1 ZINC000521900262 1025755833 /nfs/dbraw/zinc/75/58/33/1025755833.db2.gz HTKYDYSTPLGCHX-QHCPKHFHSA-N -1 0 328.433 3.815 20 0 EHADRM CCCC[C@H](NC(=O)CCC(=O)c1csc2ccccc12)C(=O)[O-] ZINC000347268983 1025774061 /nfs/dbraw/zinc/77/40/61/1025774061.db2.gz ZQYZZFATUDIWKK-AWEZNQCLSA-N -1 0 347.436 3.624 20 0 EHADRM C[C@@H](c1ccc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])cc1)C(F)(F)F ZINC000909497634 1025780328 /nfs/dbraw/zinc/78/03/28/1025780328.db2.gz CTDDKVDGQNNCOA-SMDDNHRTSA-N -1 0 343.345 3.822 20 0 EHADRM COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000436527555 1025830910 /nfs/dbraw/zinc/83/09/10/1025830910.db2.gz DBWVKYZPKFIWNR-QGZVFWFLSA-N -1 0 347.361 3.829 20 0 EHADRM C[C@@H](NC(=O)c1cc(F)c([O-])c(F)c1)c1ccccc1OC(F)F ZINC000436527764 1025832661 /nfs/dbraw/zinc/83/26/61/1025832661.db2.gz FBPAQURWJSZGAO-MRVPVSSYSA-N -1 0 343.276 3.763 20 0 EHADRM O=C(Nc1cccc2[nH]ccc21)c1ccc(Br)cc1[O-] ZINC000436530909 1025837574 /nfs/dbraw/zinc/83/75/74/1025837574.db2.gz CYEPAIPYPIGLEI-UHFFFAOYSA-N -1 0 331.169 3.888 20 0 EHADRM COc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)cc1CC(=O)[O-] ZINC000007353147 1025846085 /nfs/dbraw/zinc/84/60/85/1025846085.db2.gz SLJGLRZAEQHLFO-XBXARRHUSA-N -1 0 330.767 3.872 20 0 EHADRM O=C(NCc1cc(-c2ccccc2)on1)c1cc(Cl)ccc1O ZINC000436518406 1025848493 /nfs/dbraw/zinc/84/84/93/1025848493.db2.gz RHZLJJKVBVBUSB-UHFFFAOYSA-N -1 0 328.755 3.631 20 0 EHADRM O=C(NCc1ccc(Oc2ccccc2)nc1)c1ccc(F)cc1[O-] ZINC000436540445 1025868675 /nfs/dbraw/zinc/86/86/75/1025868675.db2.gz ZEHFFAFLYFSPBE-UHFFFAOYSA-N -1 0 338.338 3.649 20 0 EHADRM O=C(N[C@H]1CCCOC1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436558632 1025881900 /nfs/dbraw/zinc/88/19/00/1025881900.db2.gz QXORGXDETKPMHJ-AWEZNQCLSA-N -1 0 331.799 3.621 20 0 EHADRM C[C@@H](NC(=O)c1cc(Cl)c2ccccc2c1[O-])[C@@H]1CCCOC1 ZINC000436573710 1025906161 /nfs/dbraw/zinc/90/61/61/1025906161.db2.gz CXOJXSDYYQCBID-VXGBXAGGSA-N -1 0 333.815 3.744 20 0 EHADRM CSC[C@@H]1CCCN(c2nc3ccccc3c(C)c2C(=O)[O-])C1 ZINC000522059955 1025928087 /nfs/dbraw/zinc/92/80/87/1025928087.db2.gz DQDIEBUMABIAEV-CYBMUJFWSA-N -1 0 330.453 3.821 20 0 EHADRM O=C(NCc1ccc2c(c1)COC2)c1c([O-])cc(Cl)cc1Cl ZINC000436611860 1025944327 /nfs/dbraw/zinc/94/43/27/1025944327.db2.gz YWIMNSHHTAZPRK-UHFFFAOYSA-N -1 0 338.190 3.659 20 0 EHADRM Cc1ccncc1[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000443373763 1025963494 /nfs/dbraw/zinc/96/34/94/1025963494.db2.gz OMJPCKDNDKPHIS-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000436639776 1025969663 /nfs/dbraw/zinc/96/96/63/1025969663.db2.gz RJIJDMRAYQPAHR-ABKXIKBNSA-N -1 0 335.325 3.863 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccc(OC)c(OC)c2C)c1 ZINC000436651297 1025977551 /nfs/dbraw/zinc/97/75/51/1025977551.db2.gz DNTBCGLXSTZVPD-UHFFFAOYSA-N -1 0 343.379 3.563 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2[nH]c(C)c(C(C)=O)c2CC)c1 ZINC000436652983 1025981238 /nfs/dbraw/zinc/98/12/38/1025981238.db2.gz SBBOGHFXTVMOPI-UHFFFAOYSA-N -1 0 342.395 3.639 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cc(C(C)C)c(O)cc2C)c1 ZINC000436642501 1025990393 /nfs/dbraw/zinc/99/03/93/1025990393.db2.gz AWXRNXPZOGJXFP-UHFFFAOYSA-N -1 0 327.380 3.985 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N[C@H]2CCCCc3ccccc32)s1 ZINC000522952229 1025991346 /nfs/dbraw/zinc/99/13/46/1025991346.db2.gz XWSHDUKAEAYDQE-ZDUSSCGKSA-N -1 0 348.497 3.661 20 0 EHADRM CCOc1cccc(S(=O)(=O)[N-]c2ccccc2OC(C)C)c1 ZINC000443399853 1025996785 /nfs/dbraw/zinc/99/67/85/1025996785.db2.gz OSDVCZBLSRLXRW-UHFFFAOYSA-N -1 0 335.425 3.673 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ncccc2C(C)C)c(C)c1C ZINC000443420481 1026015983 /nfs/dbraw/zinc/01/59/83/1026015983.db2.gz UIZVENFFGSYZOM-UHFFFAOYSA-N -1 0 334.441 3.631 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cccc(-c3cscn3)c2)c1 ZINC000436675136 1026018503 /nfs/dbraw/zinc/01/85/03/1026018503.db2.gz JVSGZXJINKGAAV-UHFFFAOYSA-N -1 0 338.388 3.971 20 0 EHADRM Cc1nc([C@H](C)NC(=O)c2cccc3c2CCCC3)sc1C(=O)[O-] ZINC000909502930 1026020582 /nfs/dbraw/zinc/02/05/82/1026020582.db2.gz HJMDOUOCSLMWRK-NSHDSACASA-N -1 0 344.436 3.520 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cnc(-c3ccco3)s2)c1 ZINC000436678325 1026027675 /nfs/dbraw/zinc/02/76/75/1026027675.db2.gz GEHACEYUWMBKMA-UHFFFAOYSA-N -1 0 328.349 3.564 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CSc2ccc3c(c2)CCC3)c1 ZINC000436677162 1026028244 /nfs/dbraw/zinc/02/82/44/1026028244.db2.gz BFQGVKYXPQNTCK-UHFFFAOYSA-N -1 0 341.432 3.814 20 0 EHADRM CCc1ccc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)cc1F ZINC000443418210 1026029863 /nfs/dbraw/zinc/02/98/63/1026029863.db2.gz NFRQEBVZFDHIPC-IBGZPJMESA-N -1 0 329.371 3.759 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)c2cc(C)cc(Cl)c2)c1 ZINC000516136920 1026039247 /nfs/dbraw/zinc/03/92/47/1026039247.db2.gz SKQHECKMHCFSFA-INIZCTEOSA-N -1 0 347.798 3.603 20 0 EHADRM O=C(Nc1ccccc1-c1noc(-c2ccc(O)cc2F)n1)C1CC1 ZINC000436690798 1026047466 /nfs/dbraw/zinc/04/74/66/1026047466.db2.gz RASBRCSCMZRCPZ-UHFFFAOYSA-N -1 0 339.326 3.597 20 0 EHADRM Cc1ccc(C(C)(C)CNC(=O)c2cc(F)c([O-])c(F)c2)c(C)c1 ZINC000436696624 1026054945 /nfs/dbraw/zinc/05/49/45/1026054945.db2.gz JOMPGIBZICCFRM-UHFFFAOYSA-N -1 0 333.378 3.995 20 0 EHADRM Cc1cccc(NC(=O)c2cc(F)c([O-])c(F)c2)c1Br ZINC000436702469 1026064295 /nfs/dbraw/zinc/06/42/95/1026064295.db2.gz CZAUMQIFYKOXKL-UHFFFAOYSA-N -1 0 342.139 3.994 20 0 EHADRM CCC[C@]1(COC)CCCN1C(=O)c1ccc2ccccc2c1O ZINC000436727017 1026075184 /nfs/dbraw/zinc/07/51/84/1026075184.db2.gz ZZHUGUCDKOTJRW-HXUWFJFHSA-N -1 0 327.424 3.967 20 0 EHADRM CCNC(=O)Nc1ccc(C)c(NC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000436719127 1026087449 /nfs/dbraw/zinc/08/74/49/1026087449.db2.gz NJIHGEBADZKOHR-UHFFFAOYSA-N -1 0 347.802 3.748 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC(CC(F)(F)F)CC1 ZINC000436720216 1026093272 /nfs/dbraw/zinc/09/32/72/1026093272.db2.gz CWKUSFFZHBGWDY-UHFFFAOYSA-N -1 0 339.716 3.989 20 0 EHADRM O=C(Nc1cccc2ccc(O)cc21)c1nn(-c2ccccc2)cc1[O-] ZINC000436735260 1026102454 /nfs/dbraw/zinc/10/24/54/1026102454.db2.gz DLHJFNJGSCIKSW-UHFFFAOYSA-N -1 0 345.358 3.689 20 0 EHADRM O=C(Nc1ccc(C(=O)C2CCC2)cc1)c1cc(F)c([O-])c(F)c1 ZINC000436744840 1026114368 /nfs/dbraw/zinc/11/43/68/1026114368.db2.gz QCRLTNGROJWNDI-UHFFFAOYSA-N -1 0 331.318 3.906 20 0 EHADRM C[C@H](NC(=O)c1cc(F)cc(Cl)c1[O-])c1ccc2n[nH]cc2c1 ZINC000436728617 1026116597 /nfs/dbraw/zinc/11/65/97/1026116597.db2.gz MONKEVBLCRUOHC-QMMMGPOBSA-N -1 0 333.750 3.552 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])[C@@H](C)CO1 ZINC000436761141 1026130667 /nfs/dbraw/zinc/13/06/67/1026130667.db2.gz WJUYAXVPVLTWPZ-QWHCGFSZSA-N -1 0 345.826 3.962 20 0 EHADRM COc1ccccc1CNC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000436748908 1026135742 /nfs/dbraw/zinc/13/57/42/1026135742.db2.gz WBCYFGPVCSZVMI-UHFFFAOYSA-N -1 0 326.179 3.638 20 0 EHADRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2nc(C)cs2)c1 ZINC000559965289 1026159724 /nfs/dbraw/zinc/15/97/24/1026159724.db2.gz WFGQZEQVCDGFEZ-UHFFFAOYSA-N -1 0 330.862 3.858 20 0 EHADRM O=C(N[C@@H]1CCCc2c(O)cccc21)c1cc(F)c([O-])c(Cl)c1 ZINC000192644241 1026206103 /nfs/dbraw/zinc/20/61/03/1026206103.db2.gz REOWXXDKSMRYEH-CQSZACIVSA-N -1 0 335.762 3.698 20 0 EHADRM CCCOc1cc(C)ccc1CNC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000530788021 1026302651 /nfs/dbraw/zinc/30/26/51/1026302651.db2.gz QAZNMDKYZPVFSQ-UHFFFAOYSA-N -1 0 347.455 3.825 20 0 EHADRM C[C@@H](CCNC(=O)C[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000684881643 1026321727 /nfs/dbraw/zinc/32/17/27/1026321727.db2.gz NOCJUNBYCWEOCM-YJBOKZPZSA-N -1 0 325.408 3.555 20 0 EHADRM COc1c(Cl)cc(NC(=O)CC2(C(=O)[O-])CCC2)cc1Cl ZINC000262455456 1026344697 /nfs/dbraw/zinc/34/46/97/1026344697.db2.gz FGMLQHKPGVEWLW-UHFFFAOYSA-N -1 0 332.183 3.586 20 0 EHADRM CCN(C(=O)N(C)C(C)(C)CC)[C@H](C(=O)[O-])c1ccc(F)c(F)c1 ZINC000684896195 1026451877 /nfs/dbraw/zinc/45/18/77/1026451877.db2.gz QZMDDFSKSUBCKD-AWEZNQCLSA-N -1 0 342.386 3.653 20 0 EHADRM COc1cc(NC(=O)CC2(CC(=O)[O-])CCCC2)ccc1OC(C)C ZINC000342608714 1026457557 /nfs/dbraw/zinc/45/75/57/1026457557.db2.gz TVFVIOAVNXCEPA-UHFFFAOYSA-N -1 0 349.427 3.846 20 0 EHADRM COC(=O)Cc1ccc(Cl)c(Nc2cc(C)cc(C(=O)[O-])c2)c1 ZINC001211547405 1026461824 /nfs/dbraw/zinc/46/18/24/1026461824.db2.gz OAZUXPFVWISNAR-UHFFFAOYSA-N -1 0 333.771 3.806 20 0 EHADRM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1O ZINC000680809360 1026501804 /nfs/dbraw/zinc/50/18/04/1026501804.db2.gz FAEJHBOVFGHXIE-UHFFFAOYSA-N -1 0 329.780 3.602 20 0 EHADRM CCC1(CC)CN(C(=O)c2cc(Br)c(F)cc2[O-])C1 ZINC000452158261 1026527999 /nfs/dbraw/zinc/52/79/99/1026527999.db2.gz ZEHGJFDWZJTGMT-UHFFFAOYSA-N -1 0 330.197 3.556 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CC1(C(=O)[O-])CCC1 ZINC000262482156 1026565697 /nfs/dbraw/zinc/56/56/97/1026565697.db2.gz IDVOZHWNRYWUTE-JTQLQIEISA-N -1 0 344.238 3.686 20 0 EHADRM CC(C)(NC(=O)N=c1nc(-c2ccccc2)[n-]s1)c1cccs1 ZINC000531103403 1026572616 /nfs/dbraw/zinc/57/26/16/1026572616.db2.gz KXSFYGWXOLGQEK-UHFFFAOYSA-N -1 0 344.465 3.745 20 0 EHADRM CCC(CC)n1nc(C(=O)NCCCCCCCC(=O)[O-])cc1C ZINC000277709665 1026647564 /nfs/dbraw/zinc/64/75/64/1026647564.db2.gz RGFJZZXSVIJSEC-UHFFFAOYSA-N -1 0 337.464 3.708 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)Nc1cccc(SC(F)F)c1 ZINC000780534795 1026665896 /nfs/dbraw/zinc/66/58/96/1026665896.db2.gz SISKUAUTZJINTM-UHFFFAOYSA-N -1 0 332.372 3.576 20 0 EHADRM O=S(=O)([N-]c1nc2c(s1)CCCCC2)c1cc2ccccc2o1 ZINC000531248640 1026731207 /nfs/dbraw/zinc/73/12/07/1026731207.db2.gz OYQCDKMRRORWRF-UHFFFAOYSA-N -1 0 348.449 3.959 20 0 EHADRM CC(C)C[C@@H]1CCCN1C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000531341741 1026829458 /nfs/dbraw/zinc/82/94/58/1026829458.db2.gz GTEODXBPHNIBOA-AWEZNQCLSA-N -1 0 330.457 3.669 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC[C@H]1COc1ccccc1 ZINC000452551996 1026832268 /nfs/dbraw/zinc/83/22/68/1026832268.db2.gz LIJKJSBPCLQDBF-ZDUSSCGKSA-N -1 0 349.789 3.868 20 0 EHADRM CCSc1nnc(NC(=O)c2cc(F)c(F)cc2Cl)s1 ZINC000006232389 1026864513 /nfs/dbraw/zinc/86/45/13/1026864513.db2.gz FZFQUEDGBXWQSM-UHFFFAOYSA-N -1 0 335.788 3.834 20 0 EHADRM CC(C)Oc1ccccc1[C@H](C)NC(=O)C1=C(C(=O)[O-])CCCC1 ZINC000326969387 1026869136 /nfs/dbraw/zinc/86/91/36/1026869136.db2.gz GJHIXROUTVXSFH-ZDUSSCGKSA-N -1 0 331.412 3.606 20 0 EHADRM CCCN(C(=O)N[C@H](CC)c1cccc(Cl)c1)[C@@H](C)C(=O)[O-] ZINC000560485675 1026996964 /nfs/dbraw/zinc/99/69/64/1026996964.db2.gz CDBNRAMCFUYXFO-SMDDNHRTSA-N -1 0 326.824 3.686 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccccc2Cl)cc1C ZINC000342785205 1027038530 /nfs/dbraw/zinc/03/85/30/1027038530.db2.gz SOKZRIIBQWFPJH-JTQLQIEISA-N -1 0 327.837 3.617 20 0 EHADRM Cc1nc2c(c(NCc3ccc(O)c(Br)c3)n1)CCCC2 ZINC000302071079 1027043372 /nfs/dbraw/zinc/04/33/72/1027043372.db2.gz FGIOHCHIZJDANY-UHFFFAOYSA-N -1 0 348.244 3.744 20 0 EHADRM CC[C@H]1[C@@H](C)CCN1C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000501186594 1027129437 /nfs/dbraw/zinc/12/94/37/1027129437.db2.gz NFFFRRIXMPIJRJ-YOEHRIQHSA-N -1 0 341.455 3.962 20 0 EHADRM CCOc1cc(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)ccc1C ZINC000414436970 1027291615 /nfs/dbraw/zinc/29/16/15/1027291615.db2.gz CMYXQIJUMPTKFJ-CYBMUJFWSA-N -1 0 327.380 3.834 20 0 EHADRM c1ccc(-c2nc(=NC[C@H]3CCN(c4ccccc4)C3)s[n-]2)cc1 ZINC000501548936 1027344802 /nfs/dbraw/zinc/34/48/02/1027344802.db2.gz BJBYIEUYUJGOBF-OAHLLOKOSA-N -1 0 336.464 3.565 20 0 EHADRM CCN(CC)C(=O)c1ccc(C(=O)Nc2cccc(Cl)c2[O-])cc1 ZINC000077012219 1027376521 /nfs/dbraw/zinc/37/65/21/1027376521.db2.gz HOWBASVGXVYAKS-UHFFFAOYSA-N -1 0 346.814 3.780 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)c1 ZINC000414444326 1027385754 /nfs/dbraw/zinc/38/57/54/1027385754.db2.gz KPPGEXUXLNSVBJ-LLVKDONJSA-N -1 0 346.452 3.938 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)c2ccccc21 ZINC000392043367 1027407291 /nfs/dbraw/zinc/40/72/91/1027407291.db2.gz GJKKDQXXZFAYCS-JYYAWHABSA-N -1 0 327.424 3.808 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)N[C@](C)(C1CC1)C(F)(F)F ZINC000414452824 1027498353 /nfs/dbraw/zinc/49/83/53/1027498353.db2.gz MEWOBOAAQVDZMU-GFCCVEGCSA-N -1 0 341.782 3.658 20 0 EHADRM Cc1n[n-]c(=NC(=O)N2CCCC[C@@H]2c2ccc(Cl)cc2)s1 ZINC000454230981 1027536331 /nfs/dbraw/zinc/53/63/31/1027536331.db2.gz JADGUWKRWMABFC-CYBMUJFWSA-N -1 0 336.848 3.681 20 0 EHADRM CC(C)(C)c1ncc(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)s1 ZINC000078161995 1027540126 /nfs/dbraw/zinc/54/01/26/1027540126.db2.gz ACDPOBIOEKBROV-BQYQJAHWSA-N -1 0 345.420 3.800 20 0 EHADRM CCCCSCCC(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1 ZINC000262523906 1027602074 /nfs/dbraw/zinc/60/20/74/1027602074.db2.gz NDKVRRTYJCGHOX-UHFFFAOYSA-N -1 0 334.441 3.588 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nc(C3CCC3)cs2)c(C)s1 ZINC000582764914 1027627047 /nfs/dbraw/zinc/62/70/47/1027627047.db2.gz PVRHCANTPULDJK-UHFFFAOYSA-N -1 0 328.484 3.890 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)CCc2ccc(-c3ccccc3)o2)C1 ZINC000414460718 1027627673 /nfs/dbraw/zinc/62/76/73/1027627673.db2.gz YDEAICWGCBFFKT-HXUWFJFHSA-N -1 0 341.407 3.593 20 0 EHADRM COc1ccc(-c2n[n-]c(=NC3CCC(F)(F)CC3)s2)cc1 ZINC000420611346 1027642827 /nfs/dbraw/zinc/64/28/27/1027642827.db2.gz NESPZVNGYLMFLA-UHFFFAOYSA-N -1 0 325.384 3.625 20 0 EHADRM Cc1ccnc([C@H](N=c2nc(C3CCCCC3)[n-]s2)C2CC2)n1 ZINC000420615350 1027659624 /nfs/dbraw/zinc/65/96/24/1027659624.db2.gz PWYQAEHKICDEQU-CQSZACIVSA-N -1 0 329.473 3.669 20 0 EHADRM O=C(CN1CCc2ccccc21)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000501977570 1027685435 /nfs/dbraw/zinc/68/54/35/1027685435.db2.gz HZWQJCMCJNEDIX-UHFFFAOYSA-N -1 0 337.206 3.700 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCC(F)F)s1 ZINC000130969467 1027719640 /nfs/dbraw/zinc/71/96/40/1027719640.db2.gz GORHRIAHBCVHDK-UHFFFAOYSA-N -1 0 333.381 3.501 20 0 EHADRM O=C([O-])CN(Cc1csc(Cc2ccccc2)n1)c1ccccc1 ZINC000347334068 1027752422 /nfs/dbraw/zinc/75/24/22/1027752422.db2.gz RICLOYHSGRQORE-UHFFFAOYSA-N -1 0 338.432 3.825 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)/C=C/c1ccccc1Cl ZINC000320644637 1027786720 /nfs/dbraw/zinc/78/67/20/1027786720.db2.gz IRWBYDSVZOUDGZ-RLNBKWGVSA-N -1 0 333.815 3.598 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)C2(c3ccc(F)cc3)CCC2)cc1F ZINC000643429201 1027873118 /nfs/dbraw/zinc/87/31/18/1027873118.db2.gz BDWGYCKLGXYAKB-UHFFFAOYSA-N -1 0 345.345 3.652 20 0 EHADRM COc1cc(C)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000614865952 1027904754 /nfs/dbraw/zinc/90/47/54/1027904754.db2.gz IBSYQOYLYJESCF-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000582845318 1027990738 /nfs/dbraw/zinc/99/07/38/1027990738.db2.gz OZFGBZBMBBRJAI-SKDRFNHKSA-N -1 0 331.334 3.630 20 0 EHADRM O=C([O-])C1CCC(CC(=O)NC2(Cc3ccccc3)CCCC2)CC1 ZINC000582847219 1027994742 /nfs/dbraw/zinc/99/47/42/1027994742.db2.gz GBSOCDREJDJNAR-UHFFFAOYSA-N -1 0 343.467 3.939 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(C)cc2Cl)nn1C(C)C ZINC000421177043 1028155076 /nfs/dbraw/zinc/15/50/76/1028155076.db2.gz USUVOYPNRWQKCZ-UHFFFAOYSA-N -1 0 327.837 3.535 20 0 EHADRM CC(C)COc1cccc([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000614844145 1028174453 /nfs/dbraw/zinc/17/44/53/1028174453.db2.gz YJLCCDJDJWMBEM-UHFFFAOYSA-N -1 0 341.379 3.800 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CC[C@H](C)C[C@H](C)C2)n1 ZINC000502411568 1028184426 /nfs/dbraw/zinc/18/44/26/1028184426.db2.gz AFMXVLVCORVGDG-STQMWFEESA-N -1 0 345.418 3.534 20 0 EHADRM Cc1cnn(Cc2ccccn2)c1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211963121 1028217851 /nfs/dbraw/zinc/21/78/51/1028217851.db2.gz XOFIJPJIYRRWSS-UHFFFAOYSA-N -1 0 342.786 3.730 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]c1ccnn1-c1cccc(Cl)c1 ZINC000503910108 1028224971 /nfs/dbraw/zinc/22/49/71/1028224971.db2.gz MGQXEGOCQRLABG-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM COc1cc(C(=O)Nc2ccc(N(C)C)cc2C)cc(Cl)c1O ZINC000153586485 1028248838 /nfs/dbraw/zinc/24/88/38/1028248838.db2.gz GEYZHEVYWBQSIO-UHFFFAOYSA-N -1 0 334.803 3.681 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2ccccc2N2CCOCC2)c1 ZINC001211964997 1028269842 /nfs/dbraw/zinc/26/98/42/1028269842.db2.gz IWEFCPKKVLZWPL-UHFFFAOYSA-N -1 0 332.787 3.618 20 0 EHADRM CCc1cccc(C)c1N=c1[n-]nc(SCc2ccon2)s1 ZINC000509950957 1028278840 /nfs/dbraw/zinc/27/88/40/1028278840.db2.gz DWDHHWBZWCHWMF-UHFFFAOYSA-N -1 0 332.454 3.855 20 0 EHADRM C[C@@H]1CC[C@@H](NC(=O)N=c2[n-]nc(SCc3ccccc3)s2)C1 ZINC000444798833 1028292175 /nfs/dbraw/zinc/29/21/75/1028292175.db2.gz GGIQKIVTFZBNFP-DGCLKSJQSA-N -1 0 348.497 3.562 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)c2c(C)noc2C(C)C)s[n-]1 ZINC000472273061 1028350199 /nfs/dbraw/zinc/35/01/99/1028350199.db2.gz DXAORYRYPYDRBF-UHFFFAOYSA-N -1 0 348.453 3.669 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N[C@H]2CCC[C@H]2c2ccccc2)s1 ZINC000523586954 1028454440 /nfs/dbraw/zinc/45/44/40/1028454440.db2.gz DJZPIZRLGJNOQN-GJZGRUSLSA-N -1 0 344.484 3.760 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N2[C@H](C)CC[C@H]2C)s1)c1ccccc1 ZINC000467493367 1028455315 /nfs/dbraw/zinc/45/53/15/1028455315.db2.gz ZUHBWSIBZXAKQL-UMVBOHGHSA-N -1 0 344.484 3.907 20 0 EHADRM CN1CCCN(C(=O)c2ccc3[n-]c(=S)oc3c2)c2ccccc21 ZINC000073848832 1028583899 /nfs/dbraw/zinc/58/38/99/1028583899.db2.gz GGYWJWZOUXGAEV-UHFFFAOYSA-N -1 0 339.420 3.977 20 0 EHADRM CC(C)(CC(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1)C(=O)[O-] ZINC000236801161 1028589334 /nfs/dbraw/zinc/58/93/34/1028589334.db2.gz NSFCWGAKAZAVTI-UHFFFAOYSA-N -1 0 348.786 3.967 20 0 EHADRM CCN(C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1)[C@@H]1CCCC[C@H]1C ZINC000237033053 1028618080 /nfs/dbraw/zinc/61/80/80/1028618080.db2.gz XULQYJPUUGNHGN-CXAGYDPISA-N -1 0 347.455 3.808 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cc(C)cc3cccnc32)c(C)c1 ZINC000074795409 1028633456 /nfs/dbraw/zinc/63/34/56/1028633456.db2.gz DWQWWOOYVAJUBR-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM CCc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)sc1C ZINC000237122621 1028641969 /nfs/dbraw/zinc/64/19/69/1028641969.db2.gz DQJNRXWBGNCQMP-HNNXBMFYSA-N -1 0 331.437 3.873 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)CSc1ccccc1)C(=O)[O-] ZINC000237397291 1028650441 /nfs/dbraw/zinc/65/04/41/1028650441.db2.gz GEBGALRRQKQOQD-OAHLLOKOSA-N -1 0 343.448 3.528 20 0 EHADRM Cc1nc([C@H](C)NC(=O)c2cc3ccccc3s2)sc1C(=O)[O-] ZINC000237476610 1028653634 /nfs/dbraw/zinc/65/36/34/1028653634.db2.gz TVZOHFMZUQMEHX-VIFPVBQESA-N -1 0 346.433 3.855 20 0 EHADRM Cc1ccc(CNC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])cc1F ZINC000237558328 1028655913 /nfs/dbraw/zinc/65/59/13/1028655913.db2.gz SLEQFLRGHUAKSB-LBPRGKRZSA-N -1 0 347.411 3.629 20 0 EHADRM Cc1ccc(CCCC(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1 ZINC000237705973 1028661506 /nfs/dbraw/zinc/66/15/06/1028661506.db2.gz PCENJEUPXSDIBP-SQNIBIBYSA-N -1 0 329.440 3.562 20 0 EHADRM Cc1ccc2nc(C)c(C(=O)Nc3ccccc3CC(=O)[O-])cc2c1 ZINC000237902418 1028670244 /nfs/dbraw/zinc/67/02/44/1028670244.db2.gz CXYSKNRDUYQZTN-UHFFFAOYSA-N -1 0 334.375 3.731 20 0 EHADRM CCC[C@@H](NCc1cc(=O)[nH]c(C2CC2)n1)c1ccc(F)cc1F ZINC000459382702 1028672722 /nfs/dbraw/zinc/67/27/22/1028672722.db2.gz GGPAQLSDSTYUBL-MRXNPFEDSA-N -1 0 333.382 3.969 20 0 EHADRM O=C([O-])c1ccn(-c2ccccc2NC(=O)c2ccc(Cl)s2)n1 ZINC000238233164 1028681100 /nfs/dbraw/zinc/68/11/00/1028681100.db2.gz ASFAIWNFRPMNFA-UHFFFAOYSA-N -1 0 347.783 3.538 20 0 EHADRM CCOC(=O)c1cc(F)c(F)cc1Nc1ccc(O)c(F)c1F ZINC001212016179 1028739343 /nfs/dbraw/zinc/73/93/43/1028739343.db2.gz BUTCPMIOASKUCS-UHFFFAOYSA-N -1 0 329.249 3.869 20 0 EHADRM C[C@H]1CCN(C(=O)N=c2[n-]nc(-c3ccccc3)s2)C[C@H](C)C1 ZINC000502876663 1028767539 /nfs/dbraw/zinc/76/75/39/1028767539.db2.gz QTETUOXFYPUWNF-QWHCGFSZSA-N -1 0 330.457 3.527 20 0 EHADRM CC(C)C[C@@](C)(CC(=O)[O-])C(=O)NCCC1CC(OC(C)(C)C)C1 ZINC000634831664 1028778377 /nfs/dbraw/zinc/77/83/77/1028778377.db2.gz FRCYHIBJPSXMTR-ZOJXTTQQSA-N -1 0 341.492 3.614 20 0 EHADRM CC(C)Sc1ccc(Cl)cc1NC(=O)[C@H](C)O[C@H](C)C(=O)[O-] ZINC000421808159 1028793632 /nfs/dbraw/zinc/79/36/32/1028793632.db2.gz QTZLAVAUTWHCFY-VHSXEESVSA-N -1 0 345.848 3.657 20 0 EHADRM C[C@@]1(C(=O)Nc2cc(Br)cc(Cl)c2[O-])CC1(F)F ZINC000421791436 1028799399 /nfs/dbraw/zinc/79/93/99/1028799399.db2.gz INQKBWXDCSTOLT-JTQLQIEISA-N -1 0 340.551 3.792 20 0 EHADRM C[C@H]1CCC[C@@H]1NC(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000504725242 1028866669 /nfs/dbraw/zinc/86/66/69/1028866669.db2.gz KKRJTOAYMQAODJ-CABZTGNLSA-N -1 0 336.848 3.591 20 0 EHADRM CCC(CC)(CNC(=O)[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C)o1)C(=O)[O-] ZINC000424257047 1028915958 /nfs/dbraw/zinc/91/59/58/1028915958.db2.gz WLCLQKGXMYEISZ-ZOBORPQBSA-N -1 0 333.428 3.514 20 0 EHADRM CC(C)(C)NC(=O)C[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000634851511 1028995812 /nfs/dbraw/zinc/99/58/12/1028995812.db2.gz KDDLBJMIEQANNB-HNNXBMFYSA-N -1 0 332.227 3.641 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccco2)s1)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000503122002 1029066475 /nfs/dbraw/zinc/06/64/75/1029066475.db2.gz YQKFHTORBZXHMH-FRRDWIJNSA-N -1 0 346.456 3.700 20 0 EHADRM CCCC[C@@H]1CCC[C@H]1NC(=O)N=c1[n-]nc(SCC)s1 ZINC000524366172 1029101462 /nfs/dbraw/zinc/10/14/62/1029101462.db2.gz RTJQEJPQTGROKE-GHMZBOCLSA-N -1 0 328.507 3.552 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H]1C(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000634867313 1029145027 /nfs/dbraw/zinc/14/50/27/1029145027.db2.gz YFRXZHYYVILXOX-KURKYZTESA-N -1 0 341.382 3.532 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N[C@@H]1CCc2ccccc21)C(=O)[O-] ZINC000237381169 1029200096 /nfs/dbraw/zinc/20/00/96/1029200096.db2.gz PNKGVSIVWHHEFA-MLGOLLRUSA-N -1 0 341.432 3.669 20 0 EHADRM Cc1cc([C@H](C)N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)oc1C(=O)[O-] ZINC000583209221 1029250095 /nfs/dbraw/zinc/25/00/95/1029250095.db2.gz IBWAPNGPRWIGDE-GDZNZVCISA-N -1 0 347.386 3.948 20 0 EHADRM Cc1cc(Br)oc1C(=O)Nc1cccc(Cl)c1[O-] ZINC000524505155 1029250353 /nfs/dbraw/zinc/25/03/53/1029250353.db2.gz NUYCGFOEMARHBV-UHFFFAOYSA-N -1 0 330.565 3.962 20 0 EHADRM Cc1cncc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)c1 ZINC000357394946 1029261570 /nfs/dbraw/zinc/26/15/70/1029261570.db2.gz VYWBCBKTMJDRLJ-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM C[C@@H]1CCc2c(C(=O)N3CCCC[C@H]3CCC(=O)[O-])csc2C1 ZINC000237435780 1029267255 /nfs/dbraw/zinc/26/72/55/1029267255.db2.gz PZODCMNDLGGMMG-OLZOCXBDSA-N -1 0 335.469 3.732 20 0 EHADRM CCC[C@H](CC)NC(=O)N=c1[n-]nc(Cc2ccc(C)cc2)s1 ZINC000524565576 1029305054 /nfs/dbraw/zinc/30/50/54/1029305054.db2.gz ZMVBCIVSIGQJTH-AWEZNQCLSA-N -1 0 332.473 3.559 20 0 EHADRM Cc1cnc([C@H](NC(=O)[C@@](C)(CC(=O)[O-])CC(C)C)C2CC2)s1 ZINC000634889638 1029390128 /nfs/dbraw/zinc/39/01/28/1029390128.db2.gz IJJJMXBQNZGWMV-RHSMWYFYSA-N -1 0 338.473 3.546 20 0 EHADRM Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000272453707 1029465729 /nfs/dbraw/zinc/46/57/29/1029465729.db2.gz MYYGKAAHTORXAB-UHFFFAOYSA-N -1 0 349.428 3.816 20 0 EHADRM CCc1oc(C(=O)N2CCC[C@@H]2c2ccc(OC)cc2)cc1C(=O)[O-] ZINC000261739548 1029494711 /nfs/dbraw/zinc/49/47/11/1029494711.db2.gz ZFOFYHQIDPMYAX-OAHLLOKOSA-N -1 0 343.379 3.526 20 0 EHADRM CC[C@H]1c2ccccc2CCN1C(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000634898797 1029509437 /nfs/dbraw/zinc/50/94/37/1029509437.db2.gz UBURDHRKQWSUOD-MOPGFXCFSA-N -1 0 337.419 3.781 20 0 EHADRM CC(C)n1cnc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1 ZINC000513815870 1029517715 /nfs/dbraw/zinc/51/77/15/1029517715.db2.gz CNIFGEXXBANJGX-UHFFFAOYSA-N -1 0 341.436 3.932 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)Nc1cc(C(C)=O)ccc1[O-] ZINC000272690476 1029568194 /nfs/dbraw/zinc/56/81/94/1029568194.db2.gz PFZJGUHHJGGXQC-UHFFFAOYSA-N -1 0 327.380 3.520 20 0 EHADRM Cc1sc(C(=O)N(C)C(C)(C)C(=O)[O-])cc1-c1ccc(F)cc1 ZINC000262196967 1029574425 /nfs/dbraw/zinc/57/44/25/1029574425.db2.gz RQKYFRHMVSLTLG-UHFFFAOYSA-N -1 0 335.400 3.798 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(COCC3CC3)c2)c(F)c1 ZINC000262317345 1029585248 /nfs/dbraw/zinc/58/52/48/1029585248.db2.gz CCPJSCXDAXQDED-UHFFFAOYSA-N -1 0 343.354 3.703 20 0 EHADRM O=C([O-])CC[C@H]1CCCC[N@@H+]1Cc1cc(Br)ccc1F ZINC000050924960 1029612783 /nfs/dbraw/zinc/61/27/83/1029612783.db2.gz JNOQUDXSTXOGSP-CYBMUJFWSA-N -1 0 344.224 3.808 20 0 EHADRM O=C(Nc1c[nH]nc1-c1nccs1)Nc1ccc(O)c(Cl)c1 ZINC000446383912 1029616514 /nfs/dbraw/zinc/61/65/14/1029616514.db2.gz LNGGMHJDRGPPAZ-UHFFFAOYSA-N -1 0 335.776 3.536 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)c2cc(C)cc(Cl)c2)sc1C(=O)[O-] ZINC000262718543 1029625950 /nfs/dbraw/zinc/62/59/50/1029625950.db2.gz DHFIRACJDOLOSZ-SECBINFHSA-N -1 0 338.816 3.603 20 0 EHADRM O=C([O-])C1(CC(=O)NCC2(Cc3ccccc3)CCCC2)CCC1 ZINC000262739093 1029629047 /nfs/dbraw/zinc/62/90/47/1029629047.db2.gz IBLQTZZOXFAAHK-UHFFFAOYSA-N -1 0 329.440 3.551 20 0 EHADRM CC[C@@H](C)Oc1cc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)ccn1 ZINC000262832632 1029642217 /nfs/dbraw/zinc/64/22/17/1029642217.db2.gz RDLVHKJPHPVADV-CYBMUJFWSA-N -1 0 342.395 3.826 20 0 EHADRM Cc1[nH]nc([N-]S(=O)(=O)c2oc3ccc(Cl)cc3c2C)c1C ZINC000533360531 1029642916 /nfs/dbraw/zinc/64/29/16/1029642916.db2.gz KBCBPIDVULJQNW-UHFFFAOYSA-N -1 0 339.804 3.535 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000262882342 1029648091 /nfs/dbraw/zinc/64/80/91/1029648091.db2.gz GVYGPSXAJSVNAO-VZJVUDMVSA-N -1 0 347.411 3.674 20 0 EHADRM COc1cc(NC(=O)C[C@@H](C)Cc2cccc(F)c2)ccc1C(=O)[O-] ZINC000262951755 1029652621 /nfs/dbraw/zinc/65/26/21/1029652621.db2.gz MYDDTVNMZVPPEM-LBPRGKRZSA-N -1 0 345.370 3.740 20 0 EHADRM CCCN=c1[n-]nc(SCC(=O)c2cc(C)c(F)c(C)c2)s1 ZINC000525044637 1029661592 /nfs/dbraw/zinc/66/15/92/1029661592.db2.gz XJCRCLFWYIFEKC-UHFFFAOYSA-N -1 0 339.461 3.513 20 0 EHADRM Cc1ccc(O[C@@H](C)C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)cc1 ZINC000263168206 1029669869 /nfs/dbraw/zinc/66/98/69/1029669869.db2.gz FQEOVIWSMPTIHX-KBPBESRZSA-N -1 0 327.380 3.589 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(Cc2csc(Nc3ccccc3)n2)C1 ZINC000263162267 1029670530 /nfs/dbraw/zinc/67/05/30/1029670530.db2.gz QTNPUSJRLWKOJY-CQSZACIVSA-N -1 0 345.468 3.964 20 0 EHADRM CCc1ccc(C(C)(C)C(=O)NC[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000263285011 1029683673 /nfs/dbraw/zinc/68/36/73/1029683673.db2.gz PGIAPRDFXMCJPZ-SFHVURJKSA-N -1 0 339.435 3.511 20 0 EHADRM C[C@@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1cccc(Cl)c1Cl ZINC000263293022 1029684477 /nfs/dbraw/zinc/68/44/77/1029684477.db2.gz MMYJZTUGNBDIBX-BBBLOLIVSA-N -1 0 330.211 3.672 20 0 EHADRM Cc1ccccc1C1CCN(C(=O)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000263300397 1029684739 /nfs/dbraw/zinc/68/47/39/1029684739.db2.gz DDLHJZVRUCRBJU-UHFFFAOYSA-N -1 0 337.419 3.642 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)c2ccc(C3CCC3)cc2)sc1C(=O)[O-] ZINC000263316901 1029687303 /nfs/dbraw/zinc/68/73/03/1029687303.db2.gz ZIMAAEFBIBIIQB-LLVKDONJSA-N -1 0 344.436 3.908 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)N[C@H](CC2CCC2)c2ccccc2)C1 ZINC000263319974 1029687891 /nfs/dbraw/zinc/68/78/91/1029687891.db2.gz JIQDQADGLLVFMQ-ZTFGCOKTSA-N -1 0 344.455 3.670 20 0 EHADRM CCc1c(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)cnn1CC(C)C ZINC000263333890 1029688741 /nfs/dbraw/zinc/68/87/41/1029688741.db2.gz QKVSBBKZWCHHJU-ZDUSSCGKSA-N -1 0 343.427 3.542 20 0 EHADRM CC[C@@H](Oc1ccccc1F)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000263335600 1029689277 /nfs/dbraw/zinc/68/92/77/1029689277.db2.gz QVSWJXFHDPHMRM-BLLLJJGKSA-N -1 0 345.370 3.810 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000263370804 1029691866 /nfs/dbraw/zinc/69/18/66/1029691866.db2.gz VHJVRMWUHMTNMZ-BDAKNGLRSA-N -1 0 349.736 3.542 20 0 EHADRM C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000263394033 1029693559 /nfs/dbraw/zinc/69/35/59/1029693559.db2.gz ZDYWEXGYSNLDMX-CKYFFXLPSA-N -1 0 344.238 3.666 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-] ZINC000263408235 1029694831 /nfs/dbraw/zinc/69/48/31/1029694831.db2.gz GLXHIUVAGKNEKZ-XYPHTWIQSA-N -1 0 335.419 3.544 20 0 EHADRM O=C([O-])C1CCC(NC(=O)c2ccccc2NC2CCCCC2)CC1 ZINC000263415312 1029696636 /nfs/dbraw/zinc/69/66/36/1029696636.db2.gz JVJWXYDFZGKSIH-UHFFFAOYSA-N -1 0 344.455 3.804 20 0 EHADRM CCc1noc(C2CCC(Nc3cccc(CCC(=O)[O-])c3)CC2)n1 ZINC000263458562 1029700729 /nfs/dbraw/zinc/70/07/29/1029700729.db2.gz BGQBAOXBEZUACU-UHFFFAOYSA-N -1 0 343.427 3.788 20 0 EHADRM CCCOc1cc(C)ccc1NC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000263477987 1029702665 /nfs/dbraw/zinc/70/26/65/1029702665.db2.gz JXXGUODLHBTAGL-IFXJQAMLSA-N -1 0 346.427 3.502 20 0 EHADRM Cc1nc([C@H](C)NC(=O)c2ccc3c(c2)CCC=C3)sc1C(=O)[O-] ZINC000263520105 1029707971 /nfs/dbraw/zinc/70/79/71/1029707971.db2.gz GTPLGBNRUBROOB-NSHDSACASA-N -1 0 342.420 3.600 20 0 EHADRM CC[C@H]1CC[C@H](C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)CC1 ZINC000263528557 1029709243 /nfs/dbraw/zinc/70/92/43/1029709243.db2.gz LHACEBDVXSLEKN-DDBAPUKQSA-N -1 0 329.440 3.530 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccc(SC)cc2OC)cc1 ZINC000446623670 1029716119 /nfs/dbraw/zinc/71/61/19/1029716119.db2.gz KZPBEOWWJWKQOZ-UHFFFAOYSA-N -1 0 337.466 3.780 20 0 EHADRM CC[C@H](C)Sc1ccc([N-]S(=O)(=O)c2c[nH]nc2C)c(C)c1 ZINC000347397140 1029717538 /nfs/dbraw/zinc/71/75/38/1029717538.db2.gz NAEKYUYNILMJOG-NSHDSACASA-N -1 0 339.486 3.718 20 0 EHADRM CCC[C@@]1(COC)CCCN1C(=O)c1ccc(C(F)(F)F)cc1O ZINC000446696889 1029759451 /nfs/dbraw/zinc/75/94/51/1029759451.db2.gz OANMTBYODWQLLL-INIZCTEOSA-N -1 0 345.361 3.832 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)nc1 ZINC000446725310 1029774454 /nfs/dbraw/zinc/77/44/54/1029774454.db2.gz GFTZDBUTCFUECD-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)n1 ZINC000446757553 1029791488 /nfs/dbraw/zinc/79/14/88/1029791488.db2.gz BQWHWYIOUPFNEZ-UHFFFAOYSA-N -1 0 348.852 3.830 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)c2c(C)cc(C)cc2OC)n1 ZINC000446761126 1029792300 /nfs/dbraw/zinc/79/23/00/1029792300.db2.gz XAABKKAHSMFENU-UHFFFAOYSA-N -1 0 340.470 3.522 20 0 EHADRM O=S(=O)(Cc1c(F)cccc1F)[N-]c1nc2ccccc2s1 ZINC000446820264 1029801393 /nfs/dbraw/zinc/80/13/93/1029801393.db2.gz AQTDLYANXYYMDK-UHFFFAOYSA-N -1 0 340.376 3.516 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-]c2nc3ccccc3s2)c(F)c1 ZINC000446821473 1029809346 /nfs/dbraw/zinc/80/93/46/1029809346.db2.gz PDGSMDDHCJBDOV-UHFFFAOYSA-N -1 0 336.413 3.686 20 0 EHADRM COc1cc(SC)ccc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000193245645 1029811951 /nfs/dbraw/zinc/81/19/51/1029811951.db2.gz AZJFNKYKXBZLLS-UHFFFAOYSA-N -1 0 343.326 3.792 20 0 EHADRM COc1ccc([C@H](N=c2[n-]nc(C)s2)c2ccc(C)cc2)cc1 ZINC000525364742 1029813777 /nfs/dbraw/zinc/81/37/77/1029813777.db2.gz WWQGGMYPKDVDFH-QGZVFWFLSA-N -1 0 325.437 3.787 20 0 EHADRM Cc1cccc(N=c2[n-]nc(SC[C@H]3CCO[C@H](C)C3)s2)c1 ZINC000447112356 1029928413 /nfs/dbraw/zinc/92/84/13/1029928413.db2.gz VIJFNEZLSZEKOX-OLZOCXBDSA-N -1 0 335.498 3.919 20 0 EHADRM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000509639409 1029954935 /nfs/dbraw/zinc/95/49/35/1029954935.db2.gz UWKOJASCOJFSAD-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM C[C@@H]1C[C@@H](CSc2n[n-]c(=Nc3ccccc3F)s2)CCO1 ZINC000447123869 1029964270 /nfs/dbraw/zinc/96/42/70/1029964270.db2.gz ZRRRHXSLAAZOAW-MNOVXSKESA-N -1 0 339.461 3.750 20 0 EHADRM Cc1cc(C(=O)N[C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)c(C)o1 ZINC000455883989 1030025423 /nfs/dbraw/zinc/02/54/23/1030025423.db2.gz AKSHTJJADFDMKA-CYBMUJFWSA-N -1 0 341.285 3.628 20 0 EHADRM Cc1cc2sc([N-]S(=O)(=O)c3ccc(F)cc3)nc2cc1F ZINC000481862422 1030054846 /nfs/dbraw/zinc/05/48/46/1030054846.db2.gz DBVWNRCCWPTJMA-UHFFFAOYSA-N -1 0 340.376 3.684 20 0 EHADRM O=S(=O)([N-]c1ncc(-c2ccccc2)cn1)c1ccccc1Cl ZINC000481874323 1030084079 /nfs/dbraw/zinc/08/40/79/1030084079.db2.gz LMPSYNYNMFQTSX-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM CCSCc1ccnc([N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000090367904 1030104729 /nfs/dbraw/zinc/10/47/29/1030104729.db2.gz WIPBJPHOVXWIIO-UHFFFAOYSA-N -1 0 348.902 3.850 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2c(F)cccc2Cl)s1 ZINC000042317705 1030137594 /nfs/dbraw/zinc/13/75/94/1030137594.db2.gz SBLNQBHFTVUNIP-UHFFFAOYSA-N -1 0 347.820 3.737 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1c(C)cccc1OC(F)F ZINC000481971650 1030141508 /nfs/dbraw/zinc/14/15/08/1030141508.db2.gz UJZOUGOTCDRLOF-UHFFFAOYSA-N -1 0 333.381 3.767 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCC3)c(F)c2)s1 ZINC000481983979 1030146949 /nfs/dbraw/zinc/14/69/49/1030146949.db2.gz UJWGRKZZCQCBIX-UHFFFAOYSA-N -1 0 341.429 3.928 20 0 EHADRM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3sc(C)nc3C)cc2)co1 ZINC000447398316 1030167850 /nfs/dbraw/zinc/16/78/50/1030167850.db2.gz QZJZIZKKTSDPFN-UHFFFAOYSA-N -1 0 349.437 3.524 20 0 EHADRM O=C(c1cc(Br)cc(Cl)c1[O-])N1CCC2(CCC2)C1 ZINC000163235505 1030198730 /nfs/dbraw/zinc/19/87/30/1030198730.db2.gz NFNOGXPTSNAVCV-UHFFFAOYSA-N -1 0 344.636 3.824 20 0 EHADRM O=C([O-])C1(CC(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)CCCCCC1 ZINC000532009445 1030231954 /nfs/dbraw/zinc/23/19/54/1030231954.db2.gz ALTIIJJFOIJUTH-SCTDSRPQSA-N -1 0 341.451 3.504 20 0 EHADRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cncc2ccccc21 ZINC000583599739 1030251096 /nfs/dbraw/zinc/25/10/96/1030251096.db2.gz KBDBRZUUQMHCPN-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM CCN(CC(=O)[O-])C(=O)Nc1ccc(OCC2CCCCC2)cc1 ZINC000567943985 1030369072 /nfs/dbraw/zinc/36/90/72/1030369072.db2.gz MPRIWDNRXKYUFN-UHFFFAOYSA-N -1 0 334.416 3.584 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)C[C@H](C)c1ccccc1F ZINC000237510237 1030537590 /nfs/dbraw/zinc/53/75/90/1030537590.db2.gz PIOOKRYFNWWSNT-KSSFIOAISA-N -1 0 343.398 3.960 20 0 EHADRM CO[C@@H]1CCC[C@@H](CC(=O)Nc2ccc(Br)cc2O)C1 ZINC000526981529 1030540268 /nfs/dbraw/zinc/54/02/68/1030540268.db2.gz KMWJSGQVNSFIQC-ZYHUDNBSSA-N -1 0 342.233 3.689 20 0 EHADRM CO[C@H]1CCC[C@H](CC(=O)Nc2ccc(Br)cc2O)C1 ZINC000526981527 1030540662 /nfs/dbraw/zinc/54/06/62/1030540662.db2.gz KMWJSGQVNSFIQC-JQWIXIFHSA-N -1 0 342.233 3.689 20 0 EHADRM CCSc1n[n-]c(=NCc2cc(C(F)(F)F)ccc2F)s1 ZINC000447947979 1030599909 /nfs/dbraw/zinc/59/99/09/1030599909.db2.gz JWYIAAHMTMHURS-UHFFFAOYSA-N -1 0 337.367 3.842 20 0 EHADRM CCSc1n[n-]c(=NCc2cc(F)cc(C(F)(F)F)c2)s1 ZINC000447962050 1030632888 /nfs/dbraw/zinc/63/28/88/1030632888.db2.gz JKFVEAAXXLXPLN-UHFFFAOYSA-N -1 0 337.367 3.842 20 0 EHADRM Cc1ccc(C)c(NC(=O)N=c2nc(-c3ccsc3)[n-]s2)c1 ZINC000447998858 1030648568 /nfs/dbraw/zinc/64/85/68/1030648568.db2.gz IKFCYWIPBBDHMK-UHFFFAOYSA-N -1 0 330.438 3.949 20 0 EHADRM CC(C)(NC(=O)N=c1nc(-c2ccsc2)[n-]s1)c1ccccc1 ZINC000448012444 1030665221 /nfs/dbraw/zinc/66/52/21/1030665221.db2.gz RMWYBXBIKSTKAF-UHFFFAOYSA-N -1 0 344.465 3.745 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ncc[nH]2)cc1)c1ccccc1Cl ZINC000170033924 1030685059 /nfs/dbraw/zinc/68/50/59/1030685059.db2.gz BVPBMXOCUUHBKX-UHFFFAOYSA-N -1 0 333.800 3.531 20 0 EHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000194213634 1030692064 /nfs/dbraw/zinc/69/20/64/1030692064.db2.gz DSDUTNSECDSMBG-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM CCC[C@H]1CN(Cc2c(C(=O)[O-])sc3cccc(F)c32)CCO1 ZINC000568062868 1030708292 /nfs/dbraw/zinc/70/82/92/1030708292.db2.gz SWUOXEYSDIHQAX-NSHDSACASA-N -1 0 337.416 3.740 20 0 EHADRM O=S(=O)([N-]c1ccc2scnc2c1)c1cc(F)c(F)cc1F ZINC000170933193 1030735887 /nfs/dbraw/zinc/73/58/87/1030735887.db2.gz YNRJNFULAMNAJS-UHFFFAOYSA-N -1 0 344.339 3.514 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)N1CCC[C@@H]1CCC1CCCC1 ZINC000448151819 1030774849 /nfs/dbraw/zinc/77/48/49/1030774849.db2.gz RTIHRQOTGXNQEG-MRXNPFEDSA-N -1 0 328.460 3.743 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)c2ccc(C)c(Cl)c2)sc1C(=O)[O-] ZINC000237526419 1030815415 /nfs/dbraw/zinc/81/54/15/1030815415.db2.gz FYRRNFMAWNXKEN-SECBINFHSA-N -1 0 338.816 3.603 20 0 EHADRM CCOC(=O)c1cnn(C(C)(C)C)c1Nc1ccc(C)c(C(=O)[O-])c1 ZINC001211599155 1030835556 /nfs/dbraw/zinc/83/55/56/1030835556.db2.gz CFEALRRZLPTWFJ-UHFFFAOYSA-N -1 0 345.399 3.565 20 0 EHADRM Cc1sc2[nH]c([C@@H](C)OC(=O)Cc3ccsc3)nc(=O)c2c1C ZINC000005358205 1030909983 /nfs/dbraw/zinc/90/99/83/1030909983.db2.gz GCEJEMAJZWKDPX-SECBINFHSA-N -1 0 348.449 3.510 20 0 EHADRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2ncccc2F)c1 ZINC000551020235 1030928106 /nfs/dbraw/zinc/92/81/06/1030928106.db2.gz INMHRNJXFRMYEN-UHFFFAOYSA-N -1 0 328.796 3.627 20 0 EHADRM COc1ccc(NC(=O)c2ccc(Br)cc2[O-])c(C)c1 ZINC000061568558 1030930806 /nfs/dbraw/zinc/93/08/06/1030930806.db2.gz TVCWPBPYDUQCGQ-UHFFFAOYSA-N -1 0 336.185 3.724 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000262879402 1030938956 /nfs/dbraw/zinc/93/89/56/1030938956.db2.gz KJRQGSHHLUXADA-GOSISDBHSA-N -1 0 349.427 3.922 20 0 EHADRM CCc1ccc(C(=O)[O-])cc1NCc1cccc(OCCOC)c1 ZINC000551058012 1030995130 /nfs/dbraw/zinc/99/51/30/1030995130.db2.gz UEOUEZGKLFHNRY-UHFFFAOYSA-N -1 0 329.396 3.585 20 0 EHADRM Cc1ccccc1OCCCNC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000194602495 1031035490 /nfs/dbraw/zinc/03/54/90/1031035490.db2.gz IWHCEXSKEYZMAG-UHFFFAOYSA-N -1 0 337.778 3.692 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cc1F)c1c(Cl)ccc(F)c1F ZINC000551106642 1031037602 /nfs/dbraw/zinc/03/76/02/1031037602.db2.gz CVBDHTCCPYCIAH-UHFFFAOYSA-N -1 0 339.697 3.697 20 0 EHADRM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(C(C)(C)C)on1 ZINC000476916874 1031080206 /nfs/dbraw/zinc/08/02/06/1031080206.db2.gz UBAOBOZKZRQOJH-UHFFFAOYSA-N -1 0 328.821 3.735 20 0 EHADRM CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1C ZINC000783877575 1031116986 /nfs/dbraw/zinc/11/69/86/1031116986.db2.gz UMTAUIMISQQOFH-UHFFFAOYSA-N -1 0 341.791 3.791 20 0 EHADRM O=C(N=c1cc(-c2ccccc2F)o[nH]1)c1cc(-c2ccccc2)[nH]n1 ZINC000448489469 1031134053 /nfs/dbraw/zinc/13/40/53/1031134053.db2.gz HWLLNWXEDDSCKS-UHFFFAOYSA-N -1 0 348.337 3.545 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)CC2=CCCCC2)CC1 ZINC000648442906 1031154358 /nfs/dbraw/zinc/15/43/58/1031154358.db2.gz QASALQWVOZLUCA-UHFFFAOYSA-N -1 0 327.424 3.981 20 0 EHADRM Cc1nnc(-c2cccc(NC(=O)c3ccc([O-])c(Cl)c3)c2)o1 ZINC000174332782 1031196292 /nfs/dbraw/zinc/19/62/92/1031196292.db2.gz PCQRINYYSKHBDE-UHFFFAOYSA-N -1 0 329.743 3.656 20 0 EHADRM Cc1ccc(Nc2ccc(Br)cc2CO)cc1C(=O)[O-] ZINC001211604246 1031252449 /nfs/dbraw/zinc/25/24/49/1031252449.db2.gz WSLRPKGNXSWMQY-UHFFFAOYSA-N -1 0 336.185 3.692 20 0 EHADRM Cc1ccc(Cn2nccc2NC(=O)c2cc(F)c([O-])c(Cl)c2)o1 ZINC000194641989 1031276729 /nfs/dbraw/zinc/27/67/29/1031276729.db2.gz OHBPEOSHWCBAQV-UHFFFAOYSA-N -1 0 349.749 3.583 20 0 EHADRM C[C@H](NC(=O)N([C@@H](C)C(=O)[O-])C1CCC1)c1c(F)cccc1Cl ZINC000583972652 1031279235 /nfs/dbraw/zinc/27/92/35/1031279235.db2.gz SOAJYGCORHSOHV-UWVGGRQHSA-N -1 0 342.798 3.577 20 0 EHADRM Cc1cc(F)cc([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c1 ZINC000551467070 1031366694 /nfs/dbraw/zinc/36/66/94/1031366694.db2.gz QODKOENZMQHQSM-UHFFFAOYSA-N -1 0 335.734 3.867 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1)C(=O)[O-] ZINC000668271686 1031367992 /nfs/dbraw/zinc/36/79/92/1031367992.db2.gz LXRMSFXWMLKROP-GFCCVEGCSA-N -1 0 345.361 3.756 20 0 EHADRM COC(=O)c1cc(Nc2ccc(C)c(C(=O)[O-])c2)c(OC)cc1Cl ZINC001211606284 1031391412 /nfs/dbraw/zinc/39/14/12/1031391412.db2.gz LFUTVYPSJUOWTK-UHFFFAOYSA-N -1 0 349.770 3.885 20 0 EHADRM O=C(c1nn(-c2ccc(F)cc2)cc1[O-])N1CCC[C@H]1C1CCCC1 ZINC000176277951 1031419272 /nfs/dbraw/zinc/41/92/72/1031419272.db2.gz YKOPONYQMUKRNT-INIZCTEOSA-N -1 0 343.402 3.512 20 0 EHADRM Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccc(C(=O)[O-])s3)C2)cc1 ZINC000668300816 1031429885 /nfs/dbraw/zinc/42/98/85/1031429885.db2.gz XOTPQYLGVATZLY-JSGCOSHPSA-N -1 0 329.421 3.773 20 0 EHADRM CC(C)CN(CC(C)C)C(=O)N=c1[n-]nc(/C=C/c2ccco2)s1 ZINC000484049225 1031438939 /nfs/dbraw/zinc/43/89/39/1031438939.db2.gz VAYZLGNFUNBKPJ-BQYQJAHWSA-N -1 0 348.472 3.869 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCC[C@@H](c3ccc(F)cc3)CC2)c1 ZINC000668314433 1031461475 /nfs/dbraw/zinc/46/14/75/1031461475.db2.gz OSHUUDBGAZNDRD-CQSZACIVSA-N -1 0 341.382 3.934 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C(C)=O)ccc2O)cc1 ZINC000477342416 1031468514 /nfs/dbraw/zinc/46/85/14/1031468514.db2.gz RBVSKGJRAZGWJZ-GFCCVEGCSA-N -1 0 347.436 3.909 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N[C@@H]1CCCc2ccc(F)cc21 ZINC000668319809 1031472283 /nfs/dbraw/zinc/47/22/83/1031472283.db2.gz OGIIDSIRCPQRRO-GOSISDBHSA-N -1 0 341.382 3.650 20 0 EHADRM O=C(N=c1ccc(C(F)(F)F)n[n-]1)C1CCC(c2ccccc2)CC1 ZINC000484162890 1031481535 /nfs/dbraw/zinc/48/15/35/1031481535.db2.gz OQMUFMOHPDGBRB-UHFFFAOYSA-N -1 0 349.356 3.830 20 0 EHADRM C[C@H]1CN(C)c2ccccc2N(C(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000194759376 1031485207 /nfs/dbraw/zinc/48/52/07/1031485207.db2.gz VLPZIIVOPZAJPH-NSHDSACASA-N -1 0 348.805 3.917 20 0 EHADRM C[C@H](CNC(=O)c1cc(F)c([O-])c(Cl)c1)c1ccc(F)cc1F ZINC000194774302 1031488215 /nfs/dbraw/zinc/48/82/15/1031488215.db2.gz JPNRTVXBFRRUHL-MRVPVSSYSA-N -1 0 343.732 3.996 20 0 EHADRM O=S(=O)([N-]c1cc(F)cc(Cl)c1)c1ccc(Cl)s1 ZINC000477390902 1031519385 /nfs/dbraw/zinc/51/93/85/1031519385.db2.gz GDTZOGQVSGWCMY-UHFFFAOYSA-N -1 0 326.201 3.995 20 0 EHADRM CCO[C@@H]1C[C@H](N(C)C(=O)c2cc(F)c([O-])c(Cl)c2)C12CCC2 ZINC000194859111 1031572371 /nfs/dbraw/zinc/57/23/71/1031572371.db2.gz CSVUGHNAWPUKMC-UONOGXRCSA-N -1 0 341.810 3.604 20 0 EHADRM O=S(=O)([N-]c1cccc2[nH]cnc21)c1ccc(Cl)c(Cl)c1 ZINC000177676050 1031587539 /nfs/dbraw/zinc/58/75/39/1031587539.db2.gz PKDCMPPXOOTQGN-UHFFFAOYSA-N -1 0 342.207 3.671 20 0 EHADRM COC(=O)c1ccc(CNc2ccc([C@H](C)CC(=O)[O-])cc2)c(F)c1 ZINC000904014004 1031598863 /nfs/dbraw/zinc/59/88/63/1031598863.db2.gz LSXCKNYESSASFJ-GFCCVEGCSA-N -1 0 345.370 3.803 20 0 EHADRM COc1ccc(CCC(=O)[O-])cc1NCc1nc(C(C)(C)C)co1 ZINC000904014279 1031601630 /nfs/dbraw/zinc/60/16/30/1031601630.db2.gz PAWWIHQWPNZJEZ-UHFFFAOYSA-N -1 0 332.400 3.610 20 0 EHADRM CC(C)n1ccnc1CNc1cc(Br)cc(C(=O)[O-])c1 ZINC000904007601 1031623247 /nfs/dbraw/zinc/62/32/47/1031623247.db2.gz OKZAHXWOWHLGLI-UHFFFAOYSA-N -1 0 338.205 3.537 20 0 EHADRM COc1ccc(CNc2ccc(C)c(C(=O)[O-])c2C)c(F)c1OC ZINC000904028929 1031637237 /nfs/dbraw/zinc/63/72/37/1031637237.db2.gz AFXGOINYKHLEKB-UHFFFAOYSA-N -1 0 333.359 3.770 20 0 EHADRM COc1ccc2nc(CN[C@H](CCCC(C)C)C(=O)[O-])sc2c1 ZINC000904037046 1031649702 /nfs/dbraw/zinc/64/97/02/1031649702.db2.gz UXNBKUKOUKJKRP-CQSZACIVSA-N -1 0 336.457 3.674 20 0 EHADRM CCSc1cccc(CNC(=O)c2cc(F)c(F)c([O-])c2F)c1 ZINC000343634085 1031716766 /nfs/dbraw/zinc/71/67/66/1031716766.db2.gz FWOKBPDSDKONTP-UHFFFAOYSA-N -1 0 341.354 3.852 20 0 EHADRM CO[C@@H](C)c1nc(=Nc2ccc3c(c2)CCC2(CCC2)O3)s[n-]1 ZINC000528112197 1031740626 /nfs/dbraw/zinc/74/06/26/1031740626.db2.gz CIVLXODXMFCIAZ-NSHDSACASA-N -1 0 331.441 3.659 20 0 EHADRM O=C([O-])N[C@H]1C[C@@H](Nc2ccc3oc(C4CC4)nc3c2)C12CCC2 ZINC000904211164 1031833898 /nfs/dbraw/zinc/83/38/98/1031833898.db2.gz GUKKFVDIOICJDV-CABCVRRESA-N -1 0 327.384 3.696 20 0 EHADRM CC(C)CC(=O)Nc1ccc(N[C@@H]2C[C@@H](NC(=O)[O-])C23CCC3)cc1 ZINC000904194625 1031843494 /nfs/dbraw/zinc/84/34/94/1031843494.db2.gz IOCASDWMEZXOCF-HZPDHXFCSA-N -1 0 345.443 3.662 20 0 EHADRM O=C([O-])N[C@@H]1C[C@@H](Nc2ccccc2CC(F)(F)F)C12CCC2 ZINC000904198597 1031844595 /nfs/dbraw/zinc/84/45/95/1031844595.db2.gz BTPWBOOKIBNBPE-CHWSQXEVSA-N -1 0 328.334 3.782 20 0 EHADRM Cc1ccc(N[C@H]2C[C@@H](NC(=O)[O-])C23CCC3)cc1-c1ncco1 ZINC000904198555 1031844862 /nfs/dbraw/zinc/84/48/62/1031844862.db2.gz AKPXEWVPIWVGJG-LSDHHAIUSA-N -1 0 327.384 3.641 20 0 EHADRM O=C([O-])N[C@H]1C[C@@H](Nc2ccc(F)cc2OCC2CC2)C12CCC2 ZINC000904199338 1031845716 /nfs/dbraw/zinc/84/57/16/1031845716.db2.gz PJDDCLJUHOKPFI-CVEARBPZSA-N -1 0 334.391 3.605 20 0 EHADRM O=C(C[C@@H]1CCCN1C(=O)c1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000180144023 1031861795 /nfs/dbraw/zinc/86/17/95/1031861795.db2.gz CONXAULVMRCCBD-HNNXBMFYSA-N -1 0 343.810 3.923 20 0 EHADRM CC(C)c1ccc(C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)s1 ZINC000448999986 1032008446 /nfs/dbraw/zinc/00/84/46/1032008446.db2.gz ZMRHYQGKDSAZCX-CABCVRRESA-N -1 0 343.448 3.812 20 0 EHADRM Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccoc3)cn2)cc1 ZINC000350012692 1032019449 /nfs/dbraw/zinc/01/94/49/1032019449.db2.gz CWGRJFIDEBLHQB-UHFFFAOYSA-N -1 0 330.365 3.576 20 0 EHADRM O=S(=O)([N-]c1scnc1C1CC1)c1ccc(C(F)F)cc1 ZINC000574644788 1033313557 /nfs/dbraw/zinc/31/35/57/1033313557.db2.gz XCVCCZZVXKUJGM-UHFFFAOYSA-N -1 0 330.381 3.759 20 0 EHADRM Cc1cccc([C@@H]2CCCCN2C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)c1C ZINC000263325031 1033363658 /nfs/dbraw/zinc/36/36/58/1033363658.db2.gz ONKAROHKVSDLMI-RYRKJORJSA-N -1 0 329.440 3.858 20 0 EHADRM CC(C)c1ccc(CN=c2[n-]nc(CCOc3ccccc3)o2)cc1 ZINC000537491487 1033382921 /nfs/dbraw/zinc/38/29/21/1033382921.db2.gz ARPGGFGSHXHFMA-UHFFFAOYSA-N -1 0 337.423 3.849 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N[C@@H](CC(=O)[O-])c1ccccc1C ZINC000263521173 1033395710 /nfs/dbraw/zinc/39/57/10/1033395710.db2.gz HHPIWGCAFNRGHO-INIZCTEOSA-N -1 0 329.396 3.966 20 0 EHADRM CC[C@H](C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1)c1ccc(OC)cc1 ZINC000588617102 1033424970 /nfs/dbraw/zinc/42/49/70/1033424970.db2.gz AJAYWRLEQWDUQP-BXIWPEDZSA-N -1 0 339.391 3.925 20 0 EHADRM CC(C)c1nc(S(=O)(=O)[N-]c2cccc(OC3CCCC3)c2)c[nH]1 ZINC000608007553 1033436045 /nfs/dbraw/zinc/43/60/45/1033436045.db2.gz UGADJYJPEJESJL-UHFFFAOYSA-N -1 0 349.456 3.655 20 0 EHADRM CC(=O)Nc1cc(Cl)ccc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000105971641 1033508632 /nfs/dbraw/zinc/50/86/32/1033508632.db2.gz YDUQVSOYPKYXDL-UHFFFAOYSA-N -1 0 339.178 3.910 20 0 EHADRM CC1(C)CCCN(C(=O)N=c2[n-]nc(Cc3ccccc3)s2)CC1 ZINC000608263586 1033558481 /nfs/dbraw/zinc/55/84/81/1033558481.db2.gz MLRSPQSTKWSTQX-UHFFFAOYSA-N -1 0 344.484 3.595 20 0 EHADRM CSc1nc(C)c(CCC(=O)OCC2(C)CCCCC2)c(=O)[nH]1 ZINC000761299228 1033568209 /nfs/dbraw/zinc/56/82/09/1033568209.db2.gz GJKYCARJRJPOJM-UHFFFAOYSA-N -1 0 338.473 3.659 20 0 EHADRM CON(C)C(=O)c1c(Cl)cccc1Nc1ccc(C(=O)[O-])cc1C ZINC001211626484 1033579711 /nfs/dbraw/zinc/57/97/11/1033579711.db2.gz HCUOXZIFNYIYKJ-UHFFFAOYSA-N -1 0 348.786 3.724 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1ccc(OC2CCOCC2)cc1 ZINC001211626597 1033588276 /nfs/dbraw/zinc/58/82/76/1033588276.db2.gz NHEQAQFZDQTTGH-UHFFFAOYSA-N -1 0 327.380 3.995 20 0 EHADRM O=C(N=c1[n-]nc(C(F)F)s1)N[C@H](CC1CC1)c1ccccc1 ZINC000608291288 1033592446 /nfs/dbraw/zinc/59/24/46/1033592446.db2.gz WEAAREMOHFGQDK-LLVKDONJSA-N -1 0 338.383 3.561 20 0 EHADRM COC(=O)c1cc(OC)c(Nc2ccc(C(=O)[O-])cc2C)cc1Cl ZINC001211626601 1033594667 /nfs/dbraw/zinc/59/46/67/1033594667.db2.gz NKOVWMAOROLTAU-UHFFFAOYSA-N -1 0 349.770 3.885 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])ccc1C(F)(F)F ZINC000608340743 1033644200 /nfs/dbraw/zinc/64/42/00/1033644200.db2.gz VIBLQBLNJXHMLU-VXGBXAGGSA-N -1 0 327.302 3.619 20 0 EHADRM O=S(=O)([N-]c1ccc2ncsc2c1)c1ccc(Cl)s1 ZINC000107321263 1033673031 /nfs/dbraw/zinc/67/30/31/1033673031.db2.gz SCGLWLAYNWBODF-UHFFFAOYSA-N -1 0 330.843 3.812 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2cnn(C(C)C)c2)cc1Cl ZINC000574855058 1033679824 /nfs/dbraw/zinc/67/98/24/1033679824.db2.gz YDBDYXJXBHOCEP-UHFFFAOYSA-N -1 0 345.877 3.640 20 0 EHADRM O=C([O-])[C@H]1CCCCCN1C(=O)Nc1cc(Cl)ccc1Cl ZINC000080988928 1033692026 /nfs/dbraw/zinc/69/20/26/1033692026.db2.gz SICJXXGLJPVLHO-GFCCVEGCSA-N -1 0 331.199 3.855 20 0 EHADRM O=C([O-])[C@@H](CC(=O)Nc1ccc(OCC2CC2)cc1)c1ccccc1 ZINC000603510794 1033719578 /nfs/dbraw/zinc/71/95/78/1033719578.db2.gz XDOATFMQQZWNAK-SFHVURJKSA-N -1 0 339.391 3.672 20 0 EHADRM CCOc1ccccc1[C@H](CC)NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000574992076 1033753988 /nfs/dbraw/zinc/75/39/88/1033753988.db2.gz VWMYEOWZCYSDES-DQPZFDDXSA-N -1 0 347.455 3.934 20 0 EHADRM CCc1cccc(OCC(=O)[N-]S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000046930070 1033897933 /nfs/dbraw/zinc/89/79/33/1033897933.db2.gz ACCHMAJATXUJEP-UHFFFAOYSA-N -1 0 347.436 3.590 20 0 EHADRM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000055616747 1033971444 /nfs/dbraw/zinc/97/14/44/1033971444.db2.gz BHWJFDVRKAJSGR-UHFFFAOYSA-N -1 0 344.845 3.551 20 0 EHADRM CCOC(=O)c1csc(=N[C@@H](C)c2ccc(OC(C)C)cc2)[n-]1 ZINC000450279805 1034043046 /nfs/dbraw/zinc/04/30/46/1034043046.db2.gz WKTREDTWGADBAG-LBPRGKRZSA-N -1 0 334.441 3.702 20 0 EHADRM Cc1ccc(Cl)cc1N1CC[C@@H](CN=c2[n-]nc(C(C)C)o2)C1 ZINC000450301420 1034052994 /nfs/dbraw/zinc/05/29/94/1034052994.db2.gz FVHKBTHTCJZUJF-ZDUSSCGKSA-N -1 0 334.851 3.515 20 0 EHADRM Cc1ccc(Cl)cc1N1CC[C@H](CN=c2[n-]nc(C(C)C)o2)C1 ZINC000450301419 1034053480 /nfs/dbraw/zinc/05/34/80/1034053480.db2.gz FVHKBTHTCJZUJF-CYBMUJFWSA-N -1 0 334.851 3.515 20 0 EHADRM CCCCOc1cccc([N-]S(=O)(=O)c2ccccc2OC)c1 ZINC000057120843 1034095381 /nfs/dbraw/zinc/09/53/81/1034095381.db2.gz DQTDTZCXKWYNAJ-UHFFFAOYSA-N -1 0 335.425 3.675 20 0 EHADRM CSCCc1ccc(N=c2nc(C3CCOCC3)[n-]s2)cc1 ZINC000596109577 1034097091 /nfs/dbraw/zinc/09/70/91/1034097091.db2.gz YDBFOGYYAONNNU-UHFFFAOYSA-N -1 0 335.498 3.503 20 0 EHADRM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)ccc2O)cc1 ZINC000119529648 1034180791 /nfs/dbraw/zinc/18/07/91/1034180791.db2.gz SJGYYAVXHQHIIO-UHFFFAOYSA-N -1 0 347.436 3.693 20 0 EHADRM Cn1c2ccccc2c2cc(S(=O)(=O)[N-]c3nccs3)ccc21 ZINC000618753287 1034255810 /nfs/dbraw/zinc/25/58/10/1034255810.db2.gz NHFVEOZXLUETHE-UHFFFAOYSA-N -1 0 343.433 3.589 20 0 EHADRM Cc1ccc(-c2ccncc2)cc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000586833417 1034448107 /nfs/dbraw/zinc/44/81/07/1034448107.db2.gz DPVRYUWOHVHXQO-DLBZAZTESA-N -1 0 336.391 3.663 20 0 EHADRM O=C(CCc1ccc(Cl)cc1Cl)N=c1ccc(C2CC2)n[n-]1 ZINC000604708712 1034462038 /nfs/dbraw/zinc/46/20/38/1034462038.db2.gz FTMZARCSYVPUHS-UHFFFAOYSA-N -1 0 336.222 3.654 20 0 EHADRM Cc1ccc(C)c(OCCCCC(=O)N=c2ccc(C3CC3)n[n-]2)c1 ZINC000604708774 1034462138 /nfs/dbraw/zinc/46/21/38/1034462138.db2.gz VNHUVIKWDSZATM-UHFFFAOYSA-N -1 0 339.439 3.581 20 0 EHADRM O=S(=O)([N-]c1cccc2c1CCCC2)c1cccc2cccnc21 ZINC000604691555 1034466811 /nfs/dbraw/zinc/46/68/11/1034466811.db2.gz GQKWJJOADYAZEL-UHFFFAOYSA-N -1 0 338.432 3.914 20 0 EHADRM CC1(C)CCC[C@@H](C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)C1 ZINC000450531758 1034491636 /nfs/dbraw/zinc/49/16/36/1034491636.db2.gz UTYBIMSDXYSGFG-IXDOHACOSA-N -1 0 329.440 3.530 20 0 EHADRM CCOC(=O)c1csc(=N[C@H]2CCc3sc(Cl)cc32)[n-]1 ZINC000450531140 1034492124 /nfs/dbraw/zinc/49/21/24/1034492124.db2.gz HABSJQPCUMVLDC-QMMMGPOBSA-N -1 0 328.846 3.556 20 0 EHADRM O=S(=O)([N-]c1ccc2ncsc2c1)c1cc(F)cc(Cl)c1 ZINC000534402715 1034499061 /nfs/dbraw/zinc/49/90/61/1034499061.db2.gz WPUHXJGAHQFJHG-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM CC[C@@H](CSc1ccc(C)c(C)c1)NC(=O)CCCCC(=O)[O-] ZINC000450540405 1034517198 /nfs/dbraw/zinc/51/71/98/1034517198.db2.gz OABXTCBAQPCVJQ-HNNXBMFYSA-N -1 0 337.485 3.935 20 0 EHADRM C[C@H](CSc1n[n-]c(=NCC(F)(F)F)s1)c1ccccc1 ZINC000604839804 1034521162 /nfs/dbraw/zinc/52/11/62/1034521162.db2.gz QWSINODRDUVEMI-SECBINFHSA-N -1 0 333.404 3.830 20 0 EHADRM COc1cc(O)ccc1Nc1ccc2ccccc2c1S(=O)(=O)[O-] ZINC001213098335 1034527130 /nfs/dbraw/zinc/52/71/30/1034527130.db2.gz NWWQHFIKVPHFSG-UHFFFAOYSA-N -1 0 345.376 3.544 20 0 EHADRM O=C([O-])C1CCC(C(=O)NCCc2ccc(Cl)cc2Cl)CC1 ZINC000171789846 1034632380 /nfs/dbraw/zinc/63/23/80/1034632380.db2.gz GQISQXJEARVQBK-UHFFFAOYSA-N -1 0 344.238 3.543 20 0 EHADRM C/C(=C\C(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1)C1CC1 ZINC000171931136 1034712831 /nfs/dbraw/zinc/71/28/31/1034712831.db2.gz WXXDNMIIOAYGAC-BUHFOSPRSA-N -1 0 341.432 3.515 20 0 EHADRM CCOc1cc(/C=C\c2cc(C(=O)[O-])ccn2)ccc1OC(F)F ZINC000470263869 1034796778 /nfs/dbraw/zinc/79/67/78/1034796778.db2.gz PAZNIZBGIIEVKY-HYXAFXHYSA-N -1 0 335.306 3.950 20 0 EHADRM COc1ccccc1-c1nc(CN2CC[C@@H](C)C[C@H]2C(=O)[O-])cs1 ZINC000584475601 1034837780 /nfs/dbraw/zinc/83/77/80/1034837780.db2.gz QVNYKJQJCQBLPA-DOMZBBRYSA-N -1 0 346.452 3.504 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1)C(=O)[O-] ZINC000601983030 1034846925 /nfs/dbraw/zinc/84/69/25/1034846925.db2.gz FIBZMNBGKSUELB-BHDSKKPTSA-N -1 0 341.860 3.502 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)Nc1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000601986397 1034849017 /nfs/dbraw/zinc/84/90/17/1034849017.db2.gz DDOAQGKMUSZICU-VHSXEESVSA-N -1 0 349.374 3.715 20 0 EHADRM CC[C@@H](NC(=O)C[C@@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000606149638 1034875909 /nfs/dbraw/zinc/87/59/09/1034875909.db2.gz PIDLGBYPBNOFIN-NVXWUHKLSA-N -1 0 347.361 3.791 20 0 EHADRM C[C@H](c1ccccc1F)N(C)C(=O)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000326848465 1034877464 /nfs/dbraw/zinc/87/74/64/1034877464.db2.gz NWGMXQVDHDOIBD-VLIAUNLRSA-N -1 0 343.398 3.778 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)NC[C@@H](C)CC(F)(F)F)s1 ZINC000413744475 1034947353 /nfs/dbraw/zinc/94/73/53/1034947353.db2.gz HPCBWJGOPFXBGB-QMMMGPOBSA-N -1 0 338.399 3.574 20 0 EHADRM Cc1ccc2cc(S(=O)(=O)[N-]c3nnc(C(C)C)s3)ccc2c1 ZINC000450977302 1034976991 /nfs/dbraw/zinc/97/69/91/1034976991.db2.gz VEEAMSXUSJQKIO-UHFFFAOYSA-N -1 0 347.465 3.924 20 0 EHADRM CCC(CC)c1nnc([N-]S(=O)(=O)c2cc(C)cs2)s1 ZINC000450971749 1034997986 /nfs/dbraw/zinc/99/79/86/1034997986.db2.gz GRPIEXFGVIJUAG-UHFFFAOYSA-N -1 0 331.488 3.612 20 0 EHADRM CCc1cc(CC)c(S(=O)(=O)[N-]c2c(C)n[nH]c2C)c(CC)c1 ZINC000450984861 1035014466 /nfs/dbraw/zinc/01/44/66/1035014466.db2.gz YMZDFJSBNXCTNR-UHFFFAOYSA-N -1 0 335.473 3.515 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000431665672 1035138428 /nfs/dbraw/zinc/13/84/28/1035138428.db2.gz QBYNWUAUFJQANN-LBPRGKRZSA-N -1 0 347.798 3.621 20 0 EHADRM CC(C)(C)[C@H](NC(=O)CC(C)(C)C(=O)[O-])c1ccc(F)cc1F ZINC000564122723 1035165967 /nfs/dbraw/zinc/16/59/67/1035165967.db2.gz IQRVLGUVGHHBAI-CQSZACIVSA-N -1 0 327.371 3.669 20 0 EHADRM Cc1cc(NC(=O)c2cnn(C)c2-c2ccccc2)cc(C(=O)[O-])c1C ZINC000431680855 1035209701 /nfs/dbraw/zinc/20/97/01/1035209701.db2.gz WESRKPODXJQYCI-UHFFFAOYSA-N -1 0 349.390 3.654 20 0 EHADRM Cn1ncc(C2CCC2)c1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000613158858 1035429066 /nfs/dbraw/zinc/42/90/66/1035429066.db2.gz JTQJLAVWQJYSKG-UHFFFAOYSA-N -1 0 340.210 3.952 20 0 EHADRM CCO[C@H](CC(=O)N[C@H](CC(=O)[O-])c1ccccc1C)C1=CCCC1 ZINC000431771163 1035459435 /nfs/dbraw/zinc/45/94/35/1035459435.db2.gz VDIPNVUDQLOGGF-QZTJIDSGSA-N -1 0 345.439 3.533 20 0 EHADRM O=C([O-])CC1(CC(=O)NCc2cc(C3CC3)ccc2F)CCCC1 ZINC000414094326 1035484849 /nfs/dbraw/zinc/48/48/49/1035484849.db2.gz OLLNWNWKLMNYOH-UHFFFAOYSA-N -1 0 333.403 3.745 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NCC[C@@H](c1ccccc1)C(F)(F)F ZINC000414100564 1035496759 /nfs/dbraw/zinc/49/67/59/1035496759.db2.gz RPMCTDSGPOKGAS-ZDUSSCGKSA-N -1 0 345.361 3.730 20 0 EHADRM CC(C)(C)c1ccc(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000571596911 1035562543 /nfs/dbraw/zinc/56/25/43/1035562543.db2.gz BTRQOOOKGCQKEF-OAQYLSRUSA-N -1 0 339.435 3.756 20 0 EHADRM O=C(C[C@H]1OCCc2ccccc21)Nc1cc(Cl)c([O-])cc1F ZINC000376248301 1035574815 /nfs/dbraw/zinc/57/48/15/1035574815.db2.gz CLUFTGHLSXIYAY-MRXNPFEDSA-N -1 0 335.762 3.827 20 0 EHADRM FC(F)(F)c1n[n-]c(=NCc2cccc(Cl)c2Cl)s1 ZINC000540701367 1035582666 /nfs/dbraw/zinc/58/26/66/1035582666.db2.gz ZQJOJOLZDCGWSR-UHFFFAOYSA-N -1 0 328.146 3.898 20 0 EHADRM Cc1ccc2oc(C(=O)N[C@H](CC(=O)[O-])C3CCCCC3)cc2c1 ZINC000540702470 1035581802 /nfs/dbraw/zinc/58/18/02/1035581802.db2.gz VANOHJLSJXZXMH-OAHLLOKOSA-N -1 0 329.396 3.895 20 0 EHADRM CCOc1ccccc1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000463528902 1035585856 /nfs/dbraw/zinc/58/58/56/1035585856.db2.gz SADCTILWDJBTQN-UHFFFAOYSA-N -1 0 329.780 3.679 20 0 EHADRM C[C@@H](CCOc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C1CCCCC1 ZINC000540706894 1035586973 /nfs/dbraw/zinc/58/69/73/1035586973.db2.gz RNCUMJQQDHTLFS-YJBOKZPZSA-N -1 0 347.455 3.631 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC000431803683 1035612073 /nfs/dbraw/zinc/61/20/73/1035612073.db2.gz CADPEGBPZGOEBD-CQSZACIVSA-N -1 0 337.419 3.655 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000540781814 1035676760 /nfs/dbraw/zinc/67/67/60/1035676760.db2.gz LEONXNJKLORLEP-HNNXBMFYSA-N -1 0 339.435 3.800 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000540781815 1035678288 /nfs/dbraw/zinc/67/82/88/1035678288.db2.gz LEONXNJKLORLEP-OAHLLOKOSA-N -1 0 339.435 3.800 20 0 EHADRM Fc1ccc(Cc2n[n-]c(=NCc3c(F)cccc3F)s2)cc1 ZINC000540792042 1035686374 /nfs/dbraw/zinc/68/63/74/1035686374.db2.gz PKSYSNYVWMZYHS-UHFFFAOYSA-N -1 0 335.354 3.580 20 0 EHADRM c1ccc(Oc2cc(CN=c3[n-]c(-c4ccccc4)no3)ccn2)cc1 ZINC000588161043 1035732552 /nfs/dbraw/zinc/73/25/52/1035732552.db2.gz WEGFENAXEAWQLO-UHFFFAOYSA-N -1 0 344.374 3.958 20 0 EHADRM C[C@H](N=c1[n-]c(-c2ccccc2)no1)c1cccc(OC(F)F)c1 ZINC000588160944 1035733030 /nfs/dbraw/zinc/73/30/30/1035733030.db2.gz QJYCWIKOARMJRV-NSHDSACASA-N -1 0 331.322 3.933 20 0 EHADRM Fc1ccc(Br)c(CN=c2[n-]c(-c3ccccc3)no2)c1 ZINC000588162000 1035734456 /nfs/dbraw/zinc/73/44/56/1035734456.db2.gz SAEGLGFYGYZIDA-UHFFFAOYSA-N -1 0 348.175 3.672 20 0 EHADRM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000318605123 1035746173 /nfs/dbraw/zinc/74/61/73/1035746173.db2.gz CJWGKYAHIBHCHA-JCOFBHIZSA-N -1 0 343.210 3.710 20 0 EHADRM COc1cccc(-c2nc(=NC(=O)CCCC3CCCC3)s[n-]2)c1 ZINC000463758961 1035798092 /nfs/dbraw/zinc/79/80/92/1035798092.db2.gz CZYIVNXSDCENAU-UHFFFAOYSA-N -1 0 345.468 3.935 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)N[C@H]1C[C@H]1c1cccc(F)c1)C1CCCCC1 ZINC000588176684 1035800380 /nfs/dbraw/zinc/80/03/80/1035800380.db2.gz OPXGZPXQHQLTOZ-ABSDTBQOSA-N -1 0 347.430 3.859 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2noc(-c3ccccc3)n2)c1 ZINC000540912284 1035800543 /nfs/dbraw/zinc/80/05/43/1035800543.db2.gz IJCGBKXTTMANJO-UHFFFAOYSA-N -1 0 343.408 3.661 20 0 EHADRM CC(C)CCc1ccc(S(=O)(=O)[N-]c2cnn(C(F)F)c2)cc1 ZINC000463773671 1035827046 /nfs/dbraw/zinc/82/70/46/1035827046.db2.gz GYJNCVNTSNAOFR-UHFFFAOYSA-N -1 0 343.399 3.668 20 0 EHADRM CCc1cnc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)s1 ZINC000174021926 1035837477 /nfs/dbraw/zinc/83/74/77/1035837477.db2.gz OXFARQAUCANQMY-UHFFFAOYSA-N -1 0 336.360 3.525 20 0 EHADRM O=C([O-])CCc1cc(-c2ccccc2OC[C@@H]2CCOC2)cs1 ZINC000571939853 1035843066 /nfs/dbraw/zinc/84/30/66/1035843066.db2.gz QOWPFYHMPBEMKQ-CYBMUJFWSA-N -1 0 332.421 3.848 20 0 EHADRM Cc1sc(CC(=O)Nc2ccc(F)c(F)c2[O-])nc1C(C)C ZINC000457289641 1035919570 /nfs/dbraw/zinc/91/95/70/1035919570.db2.gz IFXFQQDBTLHZMG-UHFFFAOYSA-N -1 0 326.368 3.740 20 0 EHADRM C[C@@H]1[C@H](C(=O)Nc2ccc(F)c(F)c2[O-])CCN1c1ccccc1 ZINC000457284271 1035940269 /nfs/dbraw/zinc/94/02/69/1035940269.db2.gz BLQJBICBFLXAGG-DGCLKSJQSA-N -1 0 332.350 3.524 20 0 EHADRM C[C@H](NC(=O)C(C)(C)C(=O)[O-])c1ccc(Oc2ccccc2)c(F)c1 ZINC000572043472 1035954448 /nfs/dbraw/zinc/95/44/48/1035954448.db2.gz JQQZKWRRCFAWST-LBPRGKRZSA-N -1 0 345.370 3.906 20 0 EHADRM C[C@@H](c1ccccc1Cl)[NH+]1CCC(n2cc(C(=O)[O-])cn2)CC1 ZINC000572127591 1036006550 /nfs/dbraw/zinc/00/65/50/1036006550.db2.gz KMQDJSCYQDKVIX-LBPRGKRZSA-N -1 0 333.819 3.633 20 0 EHADRM COCCc1ccc(-c2cccc(C(=O)C[C@H](C)C(=O)[O-])c2)cc1 ZINC000572304677 1036062741 /nfs/dbraw/zinc/06/27/41/1036062741.db2.gz XGSCTPZKHJMOQS-AWEZNQCLSA-N -1 0 326.392 3.836 20 0 EHADRM CC(C)(C)c1ccccc1C(=O)N=c1nc(-c2cccnc2)[n-]s1 ZINC000535174867 1036140504 /nfs/dbraw/zinc/14/05/04/1036140504.db2.gz RLIMLJWIKCPKEJ-UHFFFAOYSA-N -1 0 338.436 3.572 20 0 EHADRM CC[C@@H](CNC(=O)c1ccc([O-])c(Cl)c1)Oc1ccccc1F ZINC000174997346 1036145470 /nfs/dbraw/zinc/14/54/70/1036145470.db2.gz KGBJYJUWLBNBGY-LBPRGKRZSA-N -1 0 337.778 3.772 20 0 EHADRM CCCOc1ccc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000392942751 1036297814 /nfs/dbraw/zinc/29/78/14/1036297814.db2.gz WHSMAERZQAKIPH-FQEVSTJZSA-N -1 0 341.407 3.847 20 0 EHADRM CC(C)C[C@@H](C)n1nccc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000589270851 1036335174 /nfs/dbraw/zinc/33/51/74/1036335174.db2.gz KCUSQEVBGCOCKL-LLVKDONJSA-N -1 0 343.399 3.569 20 0 EHADRM O=C([O-])[C@H](CC(=O)Nc1ccc(-c2ccccn2)cc1)c1ccccc1 ZINC000685896732 1036337934 /nfs/dbraw/zinc/33/79/34/1036337934.db2.gz DHJCKXMIWIDGCI-GOSISDBHSA-N -1 0 346.386 3.946 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000376380243 1036384690 /nfs/dbraw/zinc/38/46/90/1036384690.db2.gz GBBLWDOLUBHSMO-ULKQDVFKSA-N -1 0 325.767 3.519 20 0 EHADRM C[C@@H](CO)CCCN=c1[n-]nc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000535359363 1036389863 /nfs/dbraw/zinc/38/98/63/1036389863.db2.gz UWHQLMDDKAWACM-SECBINFHSA-N -1 0 346.283 3.754 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(F)ccc2OC(C)C)c1 ZINC000589437270 1036414330 /nfs/dbraw/zinc/41/43/30/1036414330.db2.gz FBWWEFWQMIWQKH-UHFFFAOYSA-N -1 0 341.379 3.861 20 0 EHADRM CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000589437468 1036414383 /nfs/dbraw/zinc/41/43/83/1036414383.db2.gz QISISDIGBKTXLF-UHFFFAOYSA-N -1 0 345.342 3.692 20 0 EHADRM O=C([O-])[C@@]1(C(F)(F)F)CCN(Cc2cccc(Cl)c2Cl)C1 ZINC000086764171 1036417745 /nfs/dbraw/zinc/41/77/45/1036417745.db2.gz UUMXBJSDMMYHJF-GFCCVEGCSA-N -1 0 342.144 3.832 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)c(C)c1 ZINC000321856769 1036418009 /nfs/dbraw/zinc/41/80/09/1036418009.db2.gz XESHPMKUGIEKOQ-UHFFFAOYSA-N -1 0 345.342 3.829 20 0 EHADRM C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1 ZINC000572641580 1036441955 /nfs/dbraw/zinc/44/19/55/1036441955.db2.gz OGQRPWLUJQGVRZ-CYFNAFFESA-N -1 0 345.439 3.686 20 0 EHADRM CCOc1cc(NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)ccc1C ZINC000653537668 1036553849 /nfs/dbraw/zinc/55/38/49/1036553849.db2.gz BPFOYAZMYNFYKS-VHDGCEQUSA-N -1 0 348.443 3.651 20 0 EHADRM Cc1ncc(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000535509148 1036570852 /nfs/dbraw/zinc/57/08/52/1036570852.db2.gz XDVYOYZWPVVNJM-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCC2(c3cccc(Cl)c3)CCCC2)C1 ZINC000263176881 1036606026 /nfs/dbraw/zinc/60/60/26/1036606026.db2.gz GTZYGEBTJPIQBT-UONOGXRCSA-N -1 0 349.858 3.769 20 0 EHADRM CCc1cccc(N(C)C(=O)c2ccc(Br)cc2[O-])c1 ZINC001626006033 1036610510 /nfs/dbraw/zinc/61/05/10/1036610510.db2.gz BZSLCHSHBZOZES-UHFFFAOYSA-N -1 0 334.213 3.994 20 0 EHADRM CCC[C@@H](CNC(=O)C[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000263190910 1036620017 /nfs/dbraw/zinc/62/00/17/1036620017.db2.gz MMLOAZGNRSQTHE-NEPJUHHUSA-N -1 0 345.361 3.816 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]c1csc(-c2ccccc2)n1 ZINC000222835445 1036627935 /nfs/dbraw/zinc/62/79/35/1036627935.db2.gz NNSKZSIACRKQKR-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM CCC[C@H](CNC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000263204058 1036635113 /nfs/dbraw/zinc/63/51/13/1036635113.db2.gz OBIIRXYWMJIMFQ-OLMNPRSZSA-N -1 0 325.408 3.560 20 0 EHADRM CCC[C@@H](CNC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1)C(=O)[O-] ZINC000263220804 1036642870 /nfs/dbraw/zinc/64/28/70/1036642870.db2.gz QQTLDBGIMSMHAV-GUYCJALGSA-N -1 0 343.423 3.569 20 0 EHADRM CCN(c1ccc(C(=O)N=c2nc(C(C)(C)C)[n-]s2)cc1)C(C)C ZINC000589937785 1036665117 /nfs/dbraw/zinc/66/51/17/1036665117.db2.gz XGROGQBDVKJVKD-UHFFFAOYSA-N -1 0 346.500 3.745 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)Cc2cccc3ccccc32)s[n-]1 ZINC000589936762 1036666977 /nfs/dbraw/zinc/66/69/77/1036666977.db2.gz WRRTWFMOAUKFKH-UHFFFAOYSA-N -1 0 325.437 3.592 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CCC(=O)N=c2nc(C(C)(C)C)[n-]s2)o1 ZINC000589937339 1036668249 /nfs/dbraw/zinc/66/82/49/1036668249.db2.gz LCMOLNFDHQFQPF-CMPLNLGQSA-N -1 0 333.457 3.545 20 0 EHADRM Cc1ccc(C(=O)N=c2[n-]nc(-c3cccc(Cl)c3)s2)cc1 ZINC000589915650 1036675089 /nfs/dbraw/zinc/67/50/89/1036675089.db2.gz JQCCNYDXHVXUNF-UHFFFAOYSA-N -1 0 329.812 3.841 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](NC(=O)C(=O)[O-])[C@H](Cc2ccc(Cl)cc2)C1 ZINC000462274553 1036757902 /nfs/dbraw/zinc/75/79/02/1036757902.db2.gz DVTIFHYXGJZVKF-IIAWOOMASA-N -1 0 337.847 3.524 20 0 EHADRM Cc1ccc(C)c([C@@H]2CCCN2C(=O)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000263301951 1036762122 /nfs/dbraw/zinc/76/21/22/1036762122.db2.gz DKQZGSAVRGCANB-IBGZPJMESA-N -1 0 337.419 3.908 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@H]2C[C@]23CCc2ccccc23)c1 ZINC000263325356 1036778543 /nfs/dbraw/zinc/77/85/43/1036778543.db2.gz ONYFRUMDVVRGDJ-NVMYHKGLSA-N -1 0 335.403 3.717 20 0 EHADRM Cc1cc2occ(CC(=O)N[C@H](C)[C@H](C)C(=O)[O-])c2cc1C(C)C ZINC000263385107 1036842565 /nfs/dbraw/zinc/84/25/65/1036842565.db2.gz BWMYUUDTRZCFAL-QWHCGFSZSA-N -1 0 331.412 3.633 20 0 EHADRM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1cccc2[nH]cnc21 ZINC000462376196 1036898041 /nfs/dbraw/zinc/89/80/41/1036898041.db2.gz IYYLBSHXOBAFRU-UHFFFAOYSA-N -1 0 329.425 3.661 20 0 EHADRM CC(C)n1nccc1[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000177663027 1036905957 /nfs/dbraw/zinc/90/59/57/1036905957.db2.gz NVVFZQKSGOFHFV-UHFFFAOYSA-N -1 0 341.436 3.932 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)c1ccccc1SCc1cccs1 ZINC000263433380 1036907876 /nfs/dbraw/zinc/90/78/76/1036907876.db2.gz LBNLMKVJUOHVQL-NEPJUHHUSA-N -1 0 349.477 3.879 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)Cc2csc3ccccc23)cc1 ZINC000539577332 1036941113 /nfs/dbraw/zinc/94/11/13/1036941113.db2.gz NKLFNKSWOLWFSN-UHFFFAOYSA-N -1 0 339.416 3.501 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N[C@H](C)[C@H](C)C(=O)[O-])c(F)c2)cc1 ZINC000263457907 1036946651 /nfs/dbraw/zinc/94/66/51/1036946651.db2.gz PLXOXXWYAZKACZ-QWHCGFSZSA-N -1 0 329.371 3.640 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N[C@H](C)[C@@H](C)C(=O)[O-])c(F)c2)cc1 ZINC000263457899 1036946927 /nfs/dbraw/zinc/94/69/27/1036946927.db2.gz PLXOXXWYAZKACZ-CHWSQXEVSA-N -1 0 329.371 3.640 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000263459884 1036949213 /nfs/dbraw/zinc/94/92/13/1036949213.db2.gz PTIGRIQHBZZZIJ-XHBSWPGZSA-N -1 0 342.222 3.563 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2scnc2C2CCCC2)C1 ZINC000263459340 1036950062 /nfs/dbraw/zinc/95/00/62/1036950062.db2.gz VHKRUOKSUIZPMP-LBPRGKRZSA-N -1 0 336.457 3.518 20 0 EHADRM CCSc1cccc([N-]S(=O)(=O)c2sccc2OC)c1 ZINC000177858847 1036953076 /nfs/dbraw/zinc/95/30/76/1036953076.db2.gz QBRVMMVUEMFTCR-UHFFFAOYSA-N -1 0 329.468 3.670 20 0 EHADRM CCc1cccc(C)c1N=c1[n-]nc(Sc2cnccn2)s1 ZINC000642225871 1036956209 /nfs/dbraw/zinc/95/62/09/1036956209.db2.gz SBAZNOQHDAXGIY-UHFFFAOYSA-N -1 0 329.454 3.516 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000263475109 1036963760 /nfs/dbraw/zinc/96/37/60/1036963760.db2.gz SPOIXJBQWFUCBK-ZJUUUORDSA-N -1 0 346.814 3.605 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)C[C@H]1C ZINC000648490547 1036965753 /nfs/dbraw/zinc/96/57/53/1036965753.db2.gz LYKQWKSPFDWZQO-IIDMSEBBSA-N -1 0 343.467 3.886 20 0 EHADRM C[C@@H](C(=O)NC1(CC(=O)[O-])CCCCC1)c1cc2ccccc2o1 ZINC000539604775 1036970288 /nfs/dbraw/zinc/97/02/88/1036970288.db2.gz CHPYQCQVBGILND-CYBMUJFWSA-N -1 0 329.396 3.830 20 0 EHADRM CCC[C@H]1CCCC[C@H]1NC(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000590625158 1036974585 /nfs/dbraw/zinc/97/45/85/1036974585.db2.gz DBPGUYYWAVRUBG-NWDGAFQWSA-N -1 0 334.445 3.700 20 0 EHADRM CCOc1cc(-c2ccccc2)sc1C(=O)N[C@H](C)[C@@H](C)C(=O)[O-] ZINC000263483553 1036976290 /nfs/dbraw/zinc/97/62/90/1036976290.db2.gz VANNNTHNHYMPQX-VXGBXAGGSA-N -1 0 347.436 3.653 20 0 EHADRM Cc1ccc2nc(C)c(C(=O)NCCc3cccc(C(=O)[O-])c3)cc2c1 ZINC000539675729 1037056746 /nfs/dbraw/zinc/05/67/46/1037056746.db2.gz YEIYMFCBQSTBPF-UHFFFAOYSA-N -1 0 348.402 3.522 20 0 EHADRM CCOc1ccccc1N=c1[n-]nc(S[C@@H](C)C(=O)C2CC2)s1 ZINC000539670920 1037062195 /nfs/dbraw/zinc/06/21/95/1037062195.db2.gz YCXHXUCFKSJCHW-JTQLQIEISA-N -1 0 349.481 3.562 20 0 EHADRM CCCc1c([N-]S(=O)(=O)c2ccccc2)cnn1-c1ccccc1 ZINC000542092615 1037068060 /nfs/dbraw/zinc/06/80/60/1037068060.db2.gz DKMUQFGQSQZJGH-UHFFFAOYSA-N -1 0 341.436 3.626 20 0 EHADRM CC(C)c1ccc(CN=c2[n-]nc(Cc3ccc(F)cc3)o2)cc1 ZINC000539691795 1037082628 /nfs/dbraw/zinc/08/26/28/1037082628.db2.gz DLGSEOBDVNOGSI-UHFFFAOYSA-N -1 0 325.387 3.957 20 0 EHADRM Cc1ccc(CN=c2[n-]nc(Cc3ccc(Cl)cc3)o2)cc1F ZINC000539694476 1037085270 /nfs/dbraw/zinc/08/52/70/1037085270.db2.gz IARBIDVWNFNIPS-UHFFFAOYSA-N -1 0 331.778 3.795 20 0 EHADRM Cc1nn(C)c(S(=O)(=O)[N-]c2ccccc2C(C)C)c1C(F)F ZINC000414375521 1037111426 /nfs/dbraw/zinc/11/14/26/1037111426.db2.gz XLPMHMFIPRLFJU-UHFFFAOYSA-N -1 0 343.399 3.590 20 0 EHADRM CC(=O)c1nc(N[C@H](CCC(=O)[O-])Cc2ccccc2)sc1C ZINC000263555122 1037124828 /nfs/dbraw/zinc/12/48/28/1037124828.db2.gz NSOWDNUZGGGXOU-CQSZACIVSA-N -1 0 332.425 3.542 20 0 EHADRM CC(C)C[C@H](C(=O)[O-])[S@@](=O)Cc1nc(C2CCCCC2)cs1 ZINC000590900992 1037130578 /nfs/dbraw/zinc/13/05/78/1037130578.db2.gz OAIJTBMIAKGOGC-PEBXRYMYSA-N -1 0 343.514 3.939 20 0 EHADRM CCc1nc(C)c([N-]S(=O)(=O)c2c(C)cccc2Cl)s1 ZINC000414380805 1037159830 /nfs/dbraw/zinc/15/98/30/1037159830.db2.gz KBCKGXUXWZASAZ-UHFFFAOYSA-N -1 0 330.862 3.777 20 0 EHADRM C[C@H]1CCC[C@H](NC(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)C1 ZINC000666518440 1037172165 /nfs/dbraw/zinc/17/21/65/1037172165.db2.gz ZZDDRYOVIUZHKG-HOCLYGCPSA-N -1 0 344.455 3.853 20 0 EHADRM Cn1cnc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2)c1Cl ZINC000045712581 1037172320 /nfs/dbraw/zinc/17/23/20/1037172320.db2.gz IBPWODFIFVLNMC-UHFFFAOYSA-N -1 0 347.827 3.541 20 0 EHADRM COc1ccc(NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc1Cl ZINC000573053912 1037172775 /nfs/dbraw/zinc/17/27/75/1037172775.db2.gz KBKFGTZYBUBCCQ-LBPRGKRZSA-N -1 0 342.823 3.750 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1 ZINC000089285417 1037188253 /nfs/dbraw/zinc/18/82/53/1037188253.db2.gz CRBLRBQDTUHALM-LBPRGKRZSA-N -1 0 335.347 3.671 20 0 EHADRM O=S(=O)(CCc1ccccc1)[N-][C@@H](C1CCCCC1)C(F)(F)F ZINC000542239908 1037203688 /nfs/dbraw/zinc/20/36/88/1037203688.db2.gz MTKYPCCZIWQMRQ-HNNXBMFYSA-N -1 0 349.418 3.660 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000089286800 1037207283 /nfs/dbraw/zinc/20/72/83/1037207283.db2.gz NCYVYPMJJSEAJK-SNVBAGLBSA-N -1 0 335.347 3.671 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000089287245 1037210762 /nfs/dbraw/zinc/21/07/62/1037210762.db2.gz RXPWGNPZMBZNAN-WDEREUQCSA-N -1 0 334.224 3.569 20 0 EHADRM O=C([O-])CCCCNC(=O)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000666562929 1037211745 /nfs/dbraw/zinc/21/17/45/1037211745.db2.gz XMGPCGLGSYGKGN-KZNAEPCWSA-N -1 0 344.455 3.609 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cnoc2C2CC2)c1Cl ZINC000414388295 1037225024 /nfs/dbraw/zinc/22/50/24/1037225024.db2.gz YPTGMHZGYLZXJU-UHFFFAOYSA-N -1 0 347.223 3.968 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N(C)Cc1ccccc1C(F)(F)F ZINC000659117966 1037276168 /nfs/dbraw/zinc/27/61/68/1037276168.db2.gz APNILPHGSGCAKU-UHFFFAOYSA-N -1 0 341.285 3.577 20 0 EHADRM CCC(=O)Nc1cccc(CN=c2[n-]nc(-c3ccccc3)s2)c1 ZINC000613538921 1037277621 /nfs/dbraw/zinc/27/76/21/1037277621.db2.gz IWPDJNDBTFYGIF-UHFFFAOYSA-N -1 0 338.436 3.588 20 0 EHADRM CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000176960661 1037286425 /nfs/dbraw/zinc/28/64/25/1037286425.db2.gz NYGTUVZEALKYFT-UHFFFAOYSA-N -1 0 343.276 3.544 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C1CC2(C1)CCCCC2)c1ccc(F)cc1 ZINC000659117502 1037288220 /nfs/dbraw/zinc/28/82/20/1037288220.db2.gz FUOKIAZQTBPHMQ-INIZCTEOSA-N -1 0 333.403 3.818 20 0 EHADRM CC[C@@H](C(=O)N1CCc2cc(C(=O)[O-])ccc21)c1ccc(F)cc1 ZINC000761418729 1037290933 /nfs/dbraw/zinc/29/09/33/1037290933.db2.gz HOFPALVJTIFRCM-MRXNPFEDSA-N -1 0 327.355 3.607 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])NC(=O)C2CC3(C2)CCCCC3)c1 ZINC000659126279 1037317216 /nfs/dbraw/zinc/31/72/16/1037317216.db2.gz NEPXNJTZQLVXQP-QGZVFWFLSA-N -1 0 345.439 3.688 20 0 EHADRM O=C([O-])CCCCNC(=O)[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000659133542 1037325518 /nfs/dbraw/zinc/32/55/18/1037325518.db2.gz OCTPBRNFIGFNEZ-GOSISDBHSA-N -1 0 345.826 3.843 20 0 EHADRM O=C(NCc1ccc(C(F)(F)F)cc1)c1cc(F)c([O-])c(F)c1 ZINC000176981741 1037325827 /nfs/dbraw/zinc/32/58/27/1037325827.db2.gz NNSKOBKZGVSFKU-UHFFFAOYSA-N -1 0 331.240 3.619 20 0 EHADRM O=C([O-])CCCCNC(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000659133546 1037326417 /nfs/dbraw/zinc/32/64/17/1037326417.db2.gz OCTPBRNFIGFNEZ-SFHVURJKSA-N -1 0 345.826 3.843 20 0 EHADRM CC1=CC[C@](C)(C(=O)Nc2ccc3c(ccn3CC(=O)[O-])c2)CC1 ZINC000659132542 1037339053 /nfs/dbraw/zinc/33/90/53/1037339053.db2.gz HNPNZXUDEWRTFH-IBGZPJMESA-N -1 0 326.396 3.801 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H](C)Cc2ccco2)cc1 ZINC000659137985 1037346252 /nfs/dbraw/zinc/34/62/52/1037346252.db2.gz PAGURBPGSMRZJN-LRDDRELGSA-N -1 0 347.436 3.512 20 0 EHADRM Cc1cc(C)cc(NC(=O)N(CC(=O)[O-])Cc2ccc(F)cc2)c1 ZINC000573186069 1037348801 /nfs/dbraw/zinc/34/88/01/1037348801.db2.gz BGFGRXHVFBAQRG-UHFFFAOYSA-N -1 0 330.359 3.561 20 0 EHADRM Cc1[nH]c2c(cc(C)cc2CNC(=O)c2cc(C(=O)[O-])oc2C)c1C ZINC000659140665 1037359026 /nfs/dbraw/zinc/35/90/26/1037359026.db2.gz SOWKYEZYRZRJAP-UHFFFAOYSA-N -1 0 340.379 3.623 20 0 EHADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)C1CCC2(CC2)CC1 ZINC000659147605 1037369007 /nfs/dbraw/zinc/36/90/07/1037369007.db2.gz UDCDZFJPTYBOQD-QGZVFWFLSA-N -1 0 329.440 3.549 20 0 EHADRM C[C@H](NC(=O)c1ccc(C2CC2)cc1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000659159179 1037382911 /nfs/dbraw/zinc/38/29/11/1037382911.db2.gz LCZKETTWVJXDFI-LIRRHRJNSA-N -1 0 337.419 3.626 20 0 EHADRM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000007053574 1037386849 /nfs/dbraw/zinc/38/68/49/1037386849.db2.gz ZARYHJQCZHTWIN-UHFFFAOYSA-N -1 0 325.389 3.843 20 0 EHADRM Cc1cccc(C(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)c1 ZINC000058036077 1037396721 /nfs/dbraw/zinc/39/67/21/1037396721.db2.gz YAJNSQUXLWHSBN-UHFFFAOYSA-N -1 0 327.405 3.617 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C(C)C)cc2)c1 ZINC000539956786 1037402348 /nfs/dbraw/zinc/40/23/48/1037402348.db2.gz JDBXLXDDUYUERG-SFHVURJKSA-N -1 0 341.407 3.764 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)CC[C@@H](C)c2ccccc2)n1 ZINC000659183891 1037435031 /nfs/dbraw/zinc/43/50/31/1037435031.db2.gz ZWHHMEGXPZMMMT-GDBMZVCRSA-N -1 0 343.427 3.831 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)C[C@H](C)c2ccc(F)cc2)n1 ZINC000659185477 1037446918 /nfs/dbraw/zinc/44/69/18/1037446918.db2.gz AEOSZAWKYMLJNH-WFASDCNBSA-N -1 0 347.390 3.580 20 0 EHADRM CN(c1ccccc1)c1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cn1 ZINC000573356784 1037456185 /nfs/dbraw/zinc/45/61/85/1037456185.db2.gz UYHYBXTXPGZPFR-UHFFFAOYSA-N -1 0 347.374 3.800 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N[C@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000659236833 1037551067 /nfs/dbraw/zinc/55/10/67/1037551067.db2.gz NSAKMVVUEVZMMC-SUMWQHHRSA-N -1 0 335.400 3.722 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)ccc1Oc1ccncc1 ZINC000653288507 1037555053 /nfs/dbraw/zinc/55/50/53/1037555053.db2.gz VWOKMLREGQZVTD-KGLIPLIRSA-N -1 0 340.379 3.622 20 0 EHADRM Cc1c(C(=O)N[C@@H]2CCC[C@@]2(C)C(=O)[O-])oc2c1c(C)ccc2C ZINC000659233925 1037557457 /nfs/dbraw/zinc/55/74/57/1037557457.db2.gz DLQOVROWQRINEX-BFUOFWGJSA-N -1 0 329.396 3.731 20 0 EHADRM CCc1n[n-]c(=NC(=O)c2cc3c(ccc(Cl)c3Cl)[nH]2)s1 ZINC000491557239 1037558227 /nfs/dbraw/zinc/55/82/27/1037558227.db2.gz KAEDYDSKKSHZQR-UHFFFAOYSA-N -1 0 341.223 3.563 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(Br)c(C)c2)o1 ZINC000491583980 1037560486 /nfs/dbraw/zinc/56/04/86/1037560486.db2.gz OUQHGFSUKVBTJC-UHFFFAOYSA-N -1 0 344.230 3.768 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000659242067 1037564538 /nfs/dbraw/zinc/56/45/38/1037564538.db2.gz ZNXRIYWEUPHWLT-CZUORRHYSA-N -1 0 343.345 3.555 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1ccccc1CCC(F)(F)F ZINC000659241687 1037566095 /nfs/dbraw/zinc/56/60/95/1037566095.db2.gz JUXGYISLFRNSCK-XJKSGUPXSA-N -1 0 343.345 3.555 20 0 EHADRM CC(C)[C@]1(CO)CCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C1 ZINC000378028729 1037704592 /nfs/dbraw/zinc/70/45/92/1037704592.db2.gz SKMYUGDZWPYOBH-LJQANCHMSA-N -1 0 347.842 3.679 20 0 EHADRM CCc1c([N-]S(=O)(=O)c2ccccc2CC)cnn1CCC(C)C ZINC000491843734 1037713200 /nfs/dbraw/zinc/71/32/00/1037713200.db2.gz FNNDBYKNCMIFBD-UHFFFAOYSA-N -1 0 349.500 3.855 20 0 EHADRM C[C@@H](CN=c1nc(-c2ccccc2)[n-]s1)Oc1ccc(F)cc1 ZINC000463074962 1037742358 /nfs/dbraw/zinc/74/23/58/1037742358.db2.gz WBJDPZOUNWDORQ-LBPRGKRZSA-N -1 0 329.400 3.646 20 0 EHADRM CCc1c(C(=O)Nc2ccc3[n-]c(=S)oc3c2)cnn1CC(C)C ZINC000157615372 1037759317 /nfs/dbraw/zinc/75/93/17/1037759317.db2.gz XWKAYEBBFGFENU-UHFFFAOYSA-N -1 0 344.440 3.784 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@@]2(Cc2ccccc2)C(=O)[O-])cc1 ZINC000573829696 1037762743 /nfs/dbraw/zinc/76/27/43/1037762743.db2.gz PRHTZCLPNGGLTN-HXUWFJFHSA-N -1 0 338.407 3.689 20 0 EHADRM Cc1c2ccccc2nc(N2CCC[C@]3(CCCOC3)C2)c1C(=O)[O-] ZINC000573922727 1037805886 /nfs/dbraw/zinc/80/58/86/1037805886.db2.gz DINBMCOXRNDPLF-FQEVSTJZSA-N -1 0 340.423 3.638 20 0 EHADRM Cc1cccc2c1OC/C(=C\c1cccc(OCCC(=O)[O-])c1)C2=O ZINC000058465029 1037938810 /nfs/dbraw/zinc/93/88/10/1037938810.db2.gz IEGCEZKDIHNQGM-XNTDXEJSSA-N -1 0 338.359 3.507 20 0 EHADRM Cc1cccc([C@@H](C)Sc2n[n-]c(=NC[C@H]3CCCO3)s2)c1 ZINC000463261535 1037943362 /nfs/dbraw/zinc/94/33/62/1037943362.db2.gz UYSKPTPZWKPYRK-TZMCWYRMSA-N -1 0 335.498 3.713 20 0 EHADRM COc1ccc(-c2n[n-]c(=NCc3cccc4ccccc43)o2)cc1 ZINC000463252205 1037954491 /nfs/dbraw/zinc/95/44/91/1037954491.db2.gz IXJLBSNNCBOAJX-UHFFFAOYSA-N -1 0 331.375 3.932 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Nc1ccccc1C(F)(F)F ZINC000324238713 1037990280 /nfs/dbraw/zinc/99/02/80/1037990280.db2.gz AGZMLNXJQZWCBZ-LLVKDONJSA-N -1 0 344.333 3.957 20 0 EHADRM O=C([N-]c1c(F)cccc1F)c1nc(-c2cccc(F)c2F)no1 ZINC001212171720 1038039398 /nfs/dbraw/zinc/03/93/98/1038039398.db2.gz ZPGKOFFMLUOQFD-UHFFFAOYSA-N -1 0 337.232 3.545 20 0 EHADRM Cn1cnc2cc(/C=C/c3ccc4cc(C(=O)[O-])ccc4n3)ccc21 ZINC000463342816 1038049473 /nfs/dbraw/zinc/04/94/73/1038049473.db2.gz FQBGEBPJHVTADZ-QHHAFSJGSA-N -1 0 329.359 3.990 20 0 EHADRM C[C@H](c1ccco1)N(C(=O)/C=C\c1ccc(C(=O)[O-])cc1)C1CC1 ZINC000492153002 1038054987 /nfs/dbraw/zinc/05/49/87/1038054987.db2.gz FIBWXDJPLSXQMM-TUOYRWMMSA-N -1 0 325.364 3.743 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nccc(-c3ccccc3)n2)c(C)c1 ZINC000463371446 1038069840 /nfs/dbraw/zinc/06/98/40/1038069840.db2.gz XJAUJCIKOFEDDC-UHFFFAOYSA-N -1 0 339.420 3.561 20 0 EHADRM COc1ccc(C)cc1CSCc1nc(=O)c2sccc2[n-]1 ZINC000124500677 1038196809 /nfs/dbraw/zinc/19/68/09/1038196809.db2.gz YAOFXILKHOPECT-UHFFFAOYSA-N -1 0 332.450 3.735 20 0 EHADRM Cc1cc(/C=C\c2nc3c(cccc3C(=O)[O-])o2)ccc1-n1cncn1 ZINC000339116798 1038342704 /nfs/dbraw/zinc/34/27/04/1038342704.db2.gz BPDIHQRAIYEBEL-VURMDHGXSA-N -1 0 346.346 3.586 20 0 EHADRM Fc1cc(F)c(CN=c2[n-]nc(CCCc3ccccc3)o2)cc1F ZINC000538592490 1038422430 /nfs/dbraw/zinc/42/24/30/1038422430.db2.gz YWAVDGRLSWMEQG-UHFFFAOYSA-N -1 0 347.340 3.696 20 0 EHADRM CCCOc1ccc(CN=c2[n-]nc(C(C)C)o2)c(OCCC)c1 ZINC000538608061 1038432734 /nfs/dbraw/zinc/43/27/34/1038432734.db2.gz TYIGLJIWJCWPTB-UHFFFAOYSA-N -1 0 333.432 3.805 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCC[C@@H](Oc2ccccc2)C1 ZINC000416271595 1038456558 /nfs/dbraw/zinc/45/65/58/1038456558.db2.gz RXELHGAWYDLHQF-CQSZACIVSA-N -1 0 349.789 3.868 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1sc2cc(F)ccc2c1Cl ZINC000653315080 1038502219 /nfs/dbraw/zinc/50/22/19/1038502219.db2.gz RGAHQEDZMVTCET-GMSGAONNSA-N -1 0 341.791 3.772 20 0 EHADRM CCCc1nc(=NCc2ccnc(Oc3ccc(F)cc3)c2)s[n-]1 ZINC000461789326 1038610813 /nfs/dbraw/zinc/61/08/13/1038610813.db2.gz ZUOQEHFXYSBXDB-UHFFFAOYSA-N -1 0 344.415 3.851 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)Nc2cccc(SC)c2C)s1 ZINC000539302297 1038774158 /nfs/dbraw/zinc/77/41/58/1038774158.db2.gz JKYNTPBRZXJQOP-UHFFFAOYSA-N -1 0 336.486 3.977 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1ccc(C(F)F)cc1)C1CCCCC1 ZINC000910235037 1038777633 /nfs/dbraw/zinc/77/76/33/1038777633.db2.gz BDMYUAHDPZUAFT-CQSZACIVSA-N -1 0 325.355 3.635 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)c1cc(C2CC2)nc2ccccc21 ZINC000905270947 1038781820 /nfs/dbraw/zinc/78/18/20/1038781820.db2.gz LVULDXIXNGOXJY-KZULUSFZSA-N -1 0 338.407 3.580 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)[C@@H]2CCC[C@H]21 ZINC000910238821 1038782872 /nfs/dbraw/zinc/78/28/72/1038782872.db2.gz GWNRXGHVLHGMIE-MZBWOGCUSA-N -1 0 347.842 3.545 20 0 EHADRM CCc1c2ccccc2oc1C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC000910239475 1038785059 /nfs/dbraw/zinc/78/50/59/1038785059.db2.gz KZJPWFRYEGHKDW-VNQPRFMTSA-N -1 0 341.407 3.711 20 0 EHADRM CCCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cncc(OC)c1 ZINC000500484109 1038799087 /nfs/dbraw/zinc/79/90/87/1038799087.db2.gz OHVBIJRNWRGTFF-UHFFFAOYSA-N -1 0 348.468 3.967 20 0 EHADRM C[C@H](CNS(=O)(=O)c1ccccc1C(F)(F)F)CC(F)(F)F ZINC000416608176 1038843856 /nfs/dbraw/zinc/84/38/56/1038843856.db2.gz QZFADLBJTUZENB-QMMMGPOBSA-N -1 0 349.296 3.572 20 0 EHADRM CCC(CC)n1ccc(CN(C)[C@@H](C(=O)[O-])c2cccc(OC)c2)n1 ZINC000905369200 1038843981 /nfs/dbraw/zinc/84/39/81/1038843981.db2.gz AZIKRPJWXDRSAV-GOSISDBHSA-N -1 0 345.443 3.511 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000325048232 1038844635 /nfs/dbraw/zinc/84/46/35/1038844635.db2.gz OOZVUTVYDHDOHX-UHFFFAOYSA-N -1 0 327.380 3.799 20 0 EHADRM O=C([O-])c1cnc(C2CCN(c3nccc4sccc43)CC2)s1 ZINC000910325308 1038850651 /nfs/dbraw/zinc/85/06/51/1038850651.db2.gz GIWGXQOOPGGIPV-UHFFFAOYSA-N -1 0 345.449 3.835 20 0 EHADRM CC(C)(NC(=O)c1cc(F)c(F)c([O-])c1F)c1ccccc1F ZINC000554070142 1038851072 /nfs/dbraw/zinc/85/10/72/1038851072.db2.gz KZNAUCRAJQANAT-UHFFFAOYSA-N -1 0 327.277 3.614 20 0 EHADRM CC(C)c1cnc(CN[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)o1 ZINC000905403658 1038862677 /nfs/dbraw/zinc/86/26/77/1038862677.db2.gz PVFBFJRUYMGZKQ-AWEZNQCLSA-N -1 0 342.317 3.732 20 0 EHADRM Cc1cccc([C@@H](NCc2noc3c2CC(C)(C)CC3)C(=O)[O-])c1C ZINC000905403230 1038862794 /nfs/dbraw/zinc/86/27/94/1038862794.db2.gz ZWYAKJBZSIAEMN-GOSISDBHSA-N -1 0 342.439 3.722 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N1CCC[C@@]1(C)c1ccc(C(F)(F)F)cc1 ZINC000910350439 1038875122 /nfs/dbraw/zinc/87/51/22/1038875122.db2.gz VEVNAMXSVSSPNX-ZBEGNZNMSA-N -1 0 343.345 3.654 20 0 EHADRM Cc1ccc(Br)c(NC(=O)NCCCCCC(=O)[O-])c1 ZINC000164125412 1038899046 /nfs/dbraw/zinc/89/90/46/1038899046.db2.gz WJRWYVNNMKPCHG-UHFFFAOYSA-N -1 0 343.221 3.524 20 0 EHADRM Cc1ccc(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c(Cl)c1C ZINC000910473042 1038928730 /nfs/dbraw/zinc/92/87/30/1038928730.db2.gz CNQJVMBKDLYWGL-JKSUJKDBSA-N -1 0 343.810 4.000 20 0 EHADRM CS[C@@H](C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC000910473217 1038930876 /nfs/dbraw/zinc/93/08/76/1038930876.db2.gz HVMNXJCKONMSQO-GVDBMIGSSA-N -1 0 341.432 3.520 20 0 EHADRM C[C@@H](CC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1cccc(F)c1 ZINC000910476540 1038932260 /nfs/dbraw/zinc/93/22/60/1038932260.db2.gz VKPSBSOSLXBUTK-UYHISHBKSA-N -1 0 341.382 3.749 20 0 EHADRM CC(C)CN=c1[n-]nc(SCC(=O)C2CCC(F)(F)CC2)s1 ZINC000432730016 1038936717 /nfs/dbraw/zinc/93/67/17/1038936717.db2.gz JTZJSZSHLZOYBU-UHFFFAOYSA-N -1 0 349.472 3.515 20 0 EHADRM C[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)NCC(C)(C)CC(F)F ZINC000905561837 1038951631 /nfs/dbraw/zinc/95/16/31/1038951631.db2.gz JRTISLRPRDDRDZ-GFCCVEGCSA-N -1 0 342.386 3.525 20 0 EHADRM COc1ccc(O)c(C(=O)Nc2ccc3cn(C(C)C)nc3c2)c1 ZINC000488208282 1038965360 /nfs/dbraw/zinc/96/53/60/1038965360.db2.gz CWRMVALPFIBXFS-UHFFFAOYSA-N -1 0 325.368 3.584 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1cc(SC)oc1C ZINC000910621893 1038991624 /nfs/dbraw/zinc/99/16/24/1038991624.db2.gz NXEPFJWGAHVUEX-UHFFFAOYSA-N -1 0 335.381 3.659 20 0 EHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000195505999 1039002851 /nfs/dbraw/zinc/00/28/51/1039002851.db2.gz GLOOIJLMYASMIQ-UHFFFAOYSA-N -1 0 347.436 3.518 20 0 EHADRM Cc1cn(C2CCCCC2)nc1NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000910648411 1039003028 /nfs/dbraw/zinc/00/30/28/1039003028.db2.gz UZJNPZBPPHNFIR-UHFFFAOYSA-N -1 0 347.459 3.916 20 0 EHADRM Cc1oc([C@@H](C)N2CCO[C@@H](c3ccc(F)c(C)c3)C2)cc1C(=O)[O-] ZINC000567173292 1039003666 /nfs/dbraw/zinc/00/36/66/1039003666.db2.gz UJBXBQZSTZVOAK-KZULUSFZSA-N -1 0 347.386 3.868 20 0 EHADRM CC(C)c1sc(NC(=O)C[C@H]2OCc3ccccc32)nc1C(=O)[O-] ZINC000910706903 1039030982 /nfs/dbraw/zinc/03/09/82/1039030982.db2.gz UDPUGAKKFPYGAV-GFCCVEGCSA-N -1 0 346.408 3.565 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)CC2CCCCC2)nc1C(=O)[O-] ZINC000910723087 1039032062 /nfs/dbraw/zinc/03/20/62/1039032062.db2.gz ORIGNHXKBPKCLL-CYBMUJFWSA-N -1 0 336.457 3.784 20 0 EHADRM O=C(C[C@@H]1CCc2ccccc2C1)N=c1nc(-c2ccccc2)[n-]s1 ZINC000480075671 1039111300 /nfs/dbraw/zinc/11/13/00/1039111300.db2.gz VCVLZRABSKXZCS-CQSZACIVSA-N -1 0 349.459 3.761 20 0 EHADRM C[C@@H]1CN(C(=O)C2CCC(c3ccccc3)CC2)C[C@H]1CC(=O)[O-] ZINC000910859644 1039124858 /nfs/dbraw/zinc/12/48/58/1039124858.db2.gz CMKZIUAEVHRHTO-AGERRDQYSA-N -1 0 329.440 3.530 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)N[C@H](CC(=O)[O-])c1ccccc1C ZINC000236686919 1039139065 /nfs/dbraw/zinc/13/90/65/1039139065.db2.gz DALCBJUYRABSLN-DEQJRXDXSA-N -1 0 341.382 3.870 20 0 EHADRM CCCC(O)(CCC)CC(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC000910949953 1039153222 /nfs/dbraw/zinc/15/32/22/1039153222.db2.gz RARYGGKIBQKKNX-UHFFFAOYSA-N -1 0 339.457 3.767 20 0 EHADRM CSc1ccc(NC(=O)COC2CCC(C)CC2)cc1C(=O)[O-] ZINC000910943387 1039168100 /nfs/dbraw/zinc/16/81/00/1039168100.db2.gz BJSGMXATQZOIRR-UHFFFAOYSA-N -1 0 337.441 3.641 20 0 EHADRM CSc1ccc(NC(=O)c2scnc2C(C)C)cc1C(=O)[O-] ZINC000910947679 1039169596 /nfs/dbraw/zinc/16/95/96/1039169596.db2.gz JJOYJRJYGDSKKW-UHFFFAOYSA-N -1 0 336.438 3.939 20 0 EHADRM CSc1ccc(NC(=O)[C@H](CC(C)C)n2ccnc2)cc1C(=O)[O-] ZINC000910948119 1039169784 /nfs/dbraw/zinc/16/97/84/1039169784.db2.gz UOICZAIVSQODPQ-AWEZNQCLSA-N -1 0 347.440 3.529 20 0 EHADRM O=C([O-])c1cnc([C@@H]2CCN(C(=O)CC3CCCCCC3)C2)s1 ZINC000911034618 1039206347 /nfs/dbraw/zinc/20/63/47/1039206347.db2.gz NTUYJBHQXOGDCY-CYBMUJFWSA-N -1 0 336.457 3.518 20 0 EHADRM CCO[C@H]1C[C@H](N(C)C(=O)c2cc(F)cc(Cl)c2[O-])C12CCC2 ZINC000164265897 1039212943 /nfs/dbraw/zinc/21/29/43/1039212943.db2.gz SATAQLXIFKLAER-KBPBESRZSA-N -1 0 341.810 3.604 20 0 EHADRM CCNc1ccc(C(=O)[O-])cc1NC(=O)c1cc(SC)oc1C ZINC000911085229 1039239725 /nfs/dbraw/zinc/23/97/25/1039239725.db2.gz OMGSRWVYSHSWIH-UHFFFAOYSA-N -1 0 334.397 3.692 20 0 EHADRM O=C([O-])C1CCC(CC(=O)NCc2ccccc2C(F)(F)F)CC1 ZINC000911151335 1039260520 /nfs/dbraw/zinc/26/05/20/1039260520.db2.gz GZMIXLADKRUFFZ-UHFFFAOYSA-N -1 0 343.345 3.603 20 0 EHADRM CC(C)c1ccc([N-]S(=O)(=O)c2onc(C3CC3)c2Cl)cn1 ZINC000906071241 1039278451 /nfs/dbraw/zinc/27/84/51/1039278451.db2.gz DPPPOARKACEALB-UHFFFAOYSA-N -1 0 341.820 3.525 20 0 EHADRM CCc1c([N-]S(=O)(=O)c2ccc(C)s2)cnn1C(CC)CC ZINC000480194645 1039278325 /nfs/dbraw/zinc/27/83/25/1039278325.db2.gz AWWTYWWWTYRJJT-UHFFFAOYSA-N -1 0 341.502 3.977 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)cc1 ZINC000236971656 1039286950 /nfs/dbraw/zinc/28/69/50/1039286950.db2.gz XHACWBYVBGWVOQ-KXBFYZLASA-N -1 0 339.435 3.993 20 0 EHADRM CCC[C@H](C)C(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000236998769 1039289857 /nfs/dbraw/zinc/28/98/57/1039289857.db2.gz VEYFUYOQNBFADS-GXFFZTMASA-N -1 0 342.233 3.517 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)N=c2[n-]nc(C(C)(C)C)s2)C1 ZINC000554421856 1039327782 /nfs/dbraw/zinc/32/77/82/1039327782.db2.gz LFQIVBYYQXIVAN-OCCSQVGLSA-N -1 0 344.484 3.873 20 0 EHADRM CC[C@@]1(C)Oc2ccc(NC(=O)C34CCC(C(=O)[O-])(CC3)C4)cc2O1 ZINC000911351373 1039331319 /nfs/dbraw/zinc/33/13/19/1039331319.db2.gz BRKMOOXVEOCYDD-VIQWUECVSA-N -1 0 345.395 3.558 20 0 EHADRM CSc1cc(C(=O)N[C@H](C)CCC(=O)[O-])c(Cl)cc1Cl ZINC000237426993 1039360815 /nfs/dbraw/zinc/36/08/15/1039360815.db2.gz SUKFMOYKHFJZSR-SSDOTTSWSA-N -1 0 336.240 3.698 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)N[C@H](C)c1cccc(Cl)c1Cl ZINC000582100458 1039362619 /nfs/dbraw/zinc/36/26/19/1039362619.db2.gz SFOMMXYAGIFSRL-SECBINFHSA-N -1 0 333.215 3.561 20 0 EHADRM C[C@H](CC(=O)N(CCC(=O)[O-])C1CC1)c1cccc(C(F)(F)F)c1 ZINC000237512149 1039378026 /nfs/dbraw/zinc/37/80/26/1039378026.db2.gz SWDCQYCZASLSED-LLVKDONJSA-N -1 0 343.345 3.665 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1cc(F)c(C)cc1F ZINC000237661802 1039414791 /nfs/dbraw/zinc/41/47/91/1039414791.db2.gz JYWCPHOTHZYKMH-INIZCTEOSA-N -1 0 333.334 3.527 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[O-] ZINC000728922541 1039426732 /nfs/dbraw/zinc/42/67/32/1039426732.db2.gz JSVUFNCJKHRLCI-YUMQZZPRSA-N -1 0 335.397 3.535 20 0 EHADRM Cc1cccc(CC(=O)N=c2nc(-c3ccsc3)[n-]s2)c1Cl ZINC000488880277 1039444596 /nfs/dbraw/zinc/44/45/96/1039444596.db2.gz NGDRVRNQYULOLE-UHFFFAOYSA-N -1 0 349.868 3.832 20 0 EHADRM CCC(CC)n1nc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2F)cc1C ZINC000911687223 1039460529 /nfs/dbraw/zinc/46/05/29/1039460529.db2.gz CFOHDHFROTUKIQ-UHFFFAOYSA-N -1 0 347.390 3.951 20 0 EHADRM Cc1cc(F)c(NC(=O)c2ccn(C3CCCCC3)n2)cc1C(=O)[O-] ZINC000911686522 1039460644 /nfs/dbraw/zinc/46/06/44/1039460644.db2.gz MAJSQWPEVDAQRZ-UHFFFAOYSA-N -1 0 345.374 3.786 20 0 EHADRM N#Cc1cc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)ccc1F ZINC000390083629 1039468924 /nfs/dbraw/zinc/46/89/24/1039468924.db2.gz ZTLUDGXYOOVFML-UHFFFAOYSA-N -1 0 344.289 3.517 20 0 EHADRM Cc1cc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)oc1C(=O)[O-] ZINC000911718654 1039470246 /nfs/dbraw/zinc/47/02/46/1039470246.db2.gz OXLBKTSCUVZDHL-AULYBMBSSA-N -1 0 333.771 3.616 20 0 EHADRM Cc1cc(C(=O)Nc2ccccc2-n2ccc(C(=O)[O-])n2)c(C)s1 ZINC000237882978 1039491370 /nfs/dbraw/zinc/49/13/70/1039491370.db2.gz FHSLBLCDVOOXOV-UHFFFAOYSA-N -1 0 341.392 3.501 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000238099363 1039491388 /nfs/dbraw/zinc/49/13/88/1039491388.db2.gz AFMMNKITULLWET-CHWSQXEVSA-N -1 0 339.382 3.610 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000238101842 1039492150 /nfs/dbraw/zinc/49/21/50/1039492150.db2.gz AFMMNKITULLWET-OLZOCXBDSA-N -1 0 339.382 3.610 20 0 EHADRM CCC[C@](C)(NC(=O)N[C@H](C)c1cccc2ccccc21)C(=O)[O-] ZINC000554599225 1039524900 /nfs/dbraw/zinc/52/49/00/1039524900.db2.gz VIGKIIZOQIAUKA-YJYMSZOUSA-N -1 0 328.412 3.843 20 0 EHADRM Cc1cccc(C[C@H](CNC(=O)c2c(C)cc(C)cc2C)C(=O)[O-])c1 ZINC000261687806 1039570594 /nfs/dbraw/zinc/57/05/94/1039570594.db2.gz HGFKVAJLVGUEHY-GOSISDBHSA-N -1 0 339.435 3.594 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cncc(O)c1 ZINC000109042389 1039606384 /nfs/dbraw/zinc/60/63/84/1039606384.db2.gz SQCJRZXNLKMECX-VIFPVBQESA-N -1 0 325.195 3.927 20 0 EHADRM CC(C)(C)C(=O)Nc1ccc(-c2ccc(F)cc2CCC(=O)[O-])cn1 ZINC000584730573 1039651571 /nfs/dbraw/zinc/65/15/71/1039651571.db2.gz AJIDAIRDNNWJKV-UHFFFAOYSA-N -1 0 344.386 3.890 20 0 EHADRM Cc1cc(NC(=O)[C@H](C)Cc2cccc(F)c2)cc(C(=O)[O-])c1C ZINC000485962765 1039727932 /nfs/dbraw/zinc/72/79/32/1039727932.db2.gz YBWNSXCBSOUWTJ-GFCCVEGCSA-N -1 0 329.371 3.958 20 0 EHADRM CCOc1ccccc1[C@@H](CC)N=c1nc(C(F)(F)F)[n-]s1 ZINC000553051862 1039733876 /nfs/dbraw/zinc/73/38/76/1039733876.db2.gz CCSBSJPVWDEHOY-SNVBAGLBSA-N -1 0 331.363 3.941 20 0 EHADRM CC(C)N(C)c1ccc(/C=C\c2nc3cc(C(=O)[O-])ccc3o2)cn1 ZINC000485982949 1039750004 /nfs/dbraw/zinc/75/00/04/1039750004.db2.gz VZUHMZYYEAHAKJ-UITAMQMPSA-N -1 0 337.379 3.936 20 0 EHADRM CC(C)c1ccc(O[C@H](C)CNC(=O)CC2(C(=O)[O-])CCCC2)cc1 ZINC000553188983 1039861786 /nfs/dbraw/zinc/86/17/86/1039861786.db2.gz WAEZKVVNMVFZBV-OAHLLOKOSA-N -1 0 347.455 3.729 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)CCc2cccc(F)c2F)c1 ZINC000467952341 1039912977 /nfs/dbraw/zinc/91/29/77/1039912977.db2.gz COETVEVRBABEID-UHFFFAOYSA-N -1 0 333.334 3.553 20 0 EHADRM CC(C)CC[C@H](NC(=O)CSCC(=O)[O-])c1ccc(Cl)cc1 ZINC000549804627 1039919997 /nfs/dbraw/zinc/91/99/97/1039919997.db2.gz VTABHPRUHGYCKN-AWEZNQCLSA-N -1 0 343.876 3.751 20 0 EHADRM CC[C@@](C)(NC(=O)NCc1ccccc1Oc1ccccc1)C(=O)[O-] ZINC000553276210 1039927034 /nfs/dbraw/zinc/92/70/34/1039927034.db2.gz NNYUYRQJWYQJTD-LJQANCHMSA-N -1 0 342.395 3.531 20 0 EHADRM C[C@@H](C(=O)Nc1cc(Cl)cc(Br)c1[O-])[C@H]1CCCO1 ZINC000907145663 1039945570 /nfs/dbraw/zinc/94/55/70/1039945570.db2.gz GHIDSJVBJVXCGF-RDDDGLTNSA-N -1 0 348.624 3.562 20 0 EHADRM C[C@@H]1C[C@@H](CCN=c2[n-]nc(Cc3ccc(F)cc3)s2)C[C@H](C)O1 ZINC000554933905 1039949158 /nfs/dbraw/zinc/94/91/58/1039949158.db2.gz VPNAWHUBVCCVOF-AGGWBTHJSA-N -1 0 349.475 3.696 20 0 EHADRM O=C(N=c1ncn(C2CCCCC2)[n-]1)N[C@H](c1cccs1)C1CC1 ZINC000554934568 1039951501 /nfs/dbraw/zinc/95/15/01/1039951501.db2.gz VAWICBGOEWQVRD-HNNXBMFYSA-N -1 0 345.472 3.540 20 0 EHADRM O=S(=O)([N-]c1nc2c(cccc2Cl)s1)c1cccc(F)c1 ZINC000479103303 1039968424 /nfs/dbraw/zinc/96/84/24/1039968424.db2.gz AKZHCJYWCNXAPC-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM Cc1cc(C)cc([C@@H](NCc2cnc(C(F)(F)F)s2)C(=O)[O-])c1 ZINC000417557669 1039997310 /nfs/dbraw/zinc/99/73/10/1039997310.db2.gz CHBSPLKZCNUDJO-GFCCVEGCSA-N -1 0 344.358 3.694 20 0 EHADRM Fc1cccc([C@H]2CC[C@H](N=c3[n-]nc(C(F)(F)F)s3)C2)c1 ZINC000480780254 1040002857 /nfs/dbraw/zinc/00/28/57/1040002857.db2.gz NMEONOUELNDQSK-ONGXEEELSA-N -1 0 331.338 3.866 20 0 EHADRM COCc1cnc(CN[C@@H](CC(=O)[O-])c2ccc(C(C)C)cc2)s1 ZINC000417578555 1040023903 /nfs/dbraw/zinc/02/39/03/1040023903.db2.gz YTWWZCCFCOSHKX-INIZCTEOSA-N -1 0 348.468 3.719 20 0 EHADRM CCOc1cc(CNc2ccc(CC(=O)[O-])cc2)cc(Cl)c1OC ZINC000417577135 1040025221 /nfs/dbraw/zinc/02/52/21/1040025221.db2.gz IROLKSXZHHJFPG-UHFFFAOYSA-N -1 0 349.814 3.987 20 0 EHADRM CC(C)(C)OC[C@H]([NH2+]Cc1cc(-c2ccccc2)cs1)C(=O)[O-] ZINC000417598637 1040053654 /nfs/dbraw/zinc/05/36/54/1040053654.db2.gz NSZPHYDTLFRCHJ-INIZCTEOSA-N -1 0 333.453 3.773 20 0 EHADRM CC(C)c1n[n-]c(=N[C@@H]2C[C@H]2c2ccc(Br)s2)s1 ZINC000480822881 1040066532 /nfs/dbraw/zinc/06/65/32/1040066532.db2.gz RRSWRBPHYWVIRY-HTQZYQBOSA-N -1 0 344.303 3.875 20 0 EHADRM CC[C@H](Cc1ccc(NCc2cc(OC)ccc2OC)cc1)C(=O)[O-] ZINC000417615146 1040085547 /nfs/dbraw/zinc/08/55/47/1040085547.db2.gz WVIUBFOQQGZBPW-OAHLLOKOSA-N -1 0 343.423 3.969 20 0 EHADRM COc1ccc(OC)c(CNc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000417631713 1040092319 /nfs/dbraw/zinc/09/23/19/1040092319.db2.gz WDXUPJDNBANPIY-UHFFFAOYSA-N -1 0 329.396 3.678 20 0 EHADRM O=C([O-])CC[C@H](CC1CCCCC1)NC(=O)c1ccnn1C1CCC1 ZINC000907684584 1040128146 /nfs/dbraw/zinc/12/81/46/1040128146.db2.gz XTCXAKMDQCGTAV-OAHLLOKOSA-N -1 0 347.459 3.542 20 0 EHADRM Cc1cccc2oc(C(=O)N3CC[C@H](C(=O)[O-])[C@H]4CCCC[C@H]43)cc21 ZINC000907702811 1040133373 /nfs/dbraw/zinc/13/33/73/1040133373.db2.gz FEYXEINSXJEVEE-IJEWVQPXSA-N -1 0 341.407 3.847 20 0 EHADRM FC(F)(F)c1nc(=N[C@H](C[C@@H]2CCOC2)c2ccccc2)s[n-]1 ZINC000553505555 1040133272 /nfs/dbraw/zinc/13/32/72/1040133272.db2.gz ZGTAHWSPHMPMPB-CMPLNLGQSA-N -1 0 343.374 3.559 20 0 EHADRM CC(C)[C@H]1N(C(=O)N=c2[n-]nc(-c3ccsc3)s2)CC1(C)C ZINC000432918171 1040174282 /nfs/dbraw/zinc/17/42/82/1040174282.db2.gz RQWNDYUNTDPLHI-LLVKDONJSA-N -1 0 336.486 3.587 20 0 EHADRM CCc1cccc(F)c1CNCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC000417712947 1040195280 /nfs/dbraw/zinc/19/52/80/1040195280.db2.gz XWIABAPIAUKABO-UHFFFAOYSA-N -1 0 328.387 3.649 20 0 EHADRM Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@H]12 ZINC000907950412 1040244432 /nfs/dbraw/zinc/24/44/32/1040244432.db2.gz WBCRTOITOAPJDJ-HZVDNRATSA-N -1 0 349.430 3.891 20 0 EHADRM O=S(=O)(Cc1ccccc1)[N-]c1cc(-c2cccc(Cl)c2)on1 ZINC000486566838 1040251319 /nfs/dbraw/zinc/25/13/19/1040251319.db2.gz PLFFURNFPQUYQM-UHFFFAOYSA-N -1 0 348.811 3.937 20 0 EHADRM C[C@@H](N=c1[n-]nc(C2CCOCC2)s1)c1cc2cccc(F)c2o1 ZINC000555193949 1040267220 /nfs/dbraw/zinc/26/72/20/1040267220.db2.gz NPDQROPLONPNJZ-SNVBAGLBSA-N -1 0 347.415 3.912 20 0 EHADRM O=S(=O)(NCC[C@@H]1CCC(F)(F)C1)c1cc2ccccc2o1 ZINC000908064605 1040281943 /nfs/dbraw/zinc/28/19/43/1040281943.db2.gz FJSIOAJMCCSTJW-NSHDSACASA-N -1 0 329.368 3.537 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CCC(=O)N(C)c2cccc(CC(=O)[O-])c2)o1 ZINC000908076495 1040287243 /nfs/dbraw/zinc/28/72/43/1040287243.db2.gz CWIDCUJLBDLYDK-GUYCJALGSA-N -1 0 341.407 3.626 20 0 EHADRM CC(C)[C@@H](C(=O)N(C)c1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC000908081368 1040290804 /nfs/dbraw/zinc/29/08/04/1040290804.db2.gz YRLBEJVWNLDUQV-LJQANCHMSA-N -1 0 325.408 3.716 20 0 EHADRM CCCOc1ccccc1NC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000899309312 1040295556 /nfs/dbraw/zinc/29/55/56/1040295556.db2.gz YYQPEJVQIWPKOZ-CQSZACIVSA-N -1 0 334.416 3.727 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1cccc(Br)c1 ZINC000479495876 1040301262 /nfs/dbraw/zinc/30/12/62/1040301262.db2.gz HSUVRAFPOLWTIJ-UHFFFAOYSA-N -1 0 344.205 3.697 20 0 EHADRM CCOc1ccc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])c(C)c1 ZINC000899312337 1040310650 /nfs/dbraw/zinc/31/06/50/1040310650.db2.gz ZACAEUIIWMWMLR-AWEZNQCLSA-N -1 0 334.416 3.645 20 0 EHADRM CC[C@H](CC(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1)C(C)(C)C ZINC000908176737 1040319756 /nfs/dbraw/zinc/31/97/56/1040319756.db2.gz ZQYHWVXTCCXTCL-OOWFEOPPSA-N -1 0 341.517 3.694 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000236949252 1040371478 /nfs/dbraw/zinc/37/14/78/1040371478.db2.gz XZDCFZYLMLUQJB-YJBOKZPZSA-N -1 0 331.456 3.989 20 0 EHADRM COCc1n[n-]c(=NC[C@H](c2ccc(Cl)cc2)C(C)C)s1 ZINC000553728437 1040379009 /nfs/dbraw/zinc/37/90/09/1040379009.db2.gz UWXRWRRRNCNFTQ-ZDUSSCGKSA-N -1 0 325.865 3.612 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)C2(Cc3ccccc3F)CC2)CCC1 ZINC000908337441 1040399635 /nfs/dbraw/zinc/39/96/35/1040399635.db2.gz AWJGZPWLYVAYMW-UHFFFAOYSA-N -1 0 347.430 3.690 20 0 EHADRM CS[C@H](C(=O)NCCCCC1(C(=O)[O-])CCC1)c1ccccc1 ZINC000908336170 1040400200 /nfs/dbraw/zinc/40/02/00/1040400200.db2.gz JJXSUGGHRDHIQK-HNNXBMFYSA-N -1 0 335.469 3.632 20 0 EHADRM CCCCC[C@@H]1CCCN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000486747313 1040401917 /nfs/dbraw/zinc/40/19/17/1040401917.db2.gz SUWXWOCAYSXBPS-OAHLLOKOSA-N -1 0 327.428 3.763 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)CCc2cc(Cl)cs2)CCC1 ZINC000908340453 1040402019 /nfs/dbraw/zinc/40/20/19/1040402019.db2.gz XXBUAMONYTYEKD-UHFFFAOYSA-N -1 0 343.876 3.876 20 0 EHADRM O=C([O-])c1cc(F)c(F)cc1C(=O)N1CCC[C@@H]1c1ccsc1 ZINC000321062977 1040407879 /nfs/dbraw/zinc/40/78/79/1040407879.db2.gz JFTMQGOMSFQKLE-CQSZACIVSA-N -1 0 337.347 3.702 20 0 EHADRM Fc1cccc(Cc2n[n-]c(=NCc3cc(F)cc(Cl)c3)o2)c1 ZINC000486753196 1040407980 /nfs/dbraw/zinc/40/79/80/1040407980.db2.gz VVTLAZRHMVKVAT-UHFFFAOYSA-N -1 0 335.741 3.626 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1 ZINC000908367627 1040414819 /nfs/dbraw/zinc/41/48/19/1040414819.db2.gz MXVIUGUPZMDGAY-NWDGAFQWSA-N -1 0 347.436 3.669 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)c2ccc(-c3ccccc3Cl)o2)C1 ZINC000908368068 1040415817 /nfs/dbraw/zinc/41/58/17/1040415817.db2.gz ZLBCVJWGORKEJW-NEPJUHHUSA-N -1 0 347.798 3.973 20 0 EHADRM CCc1c(C)[n-]n(-c2nnc(-c3ccccc3)n2-c2ccccc2)c1=O ZINC000614189446 1040464428 /nfs/dbraw/zinc/46/44/28/1040464428.db2.gz LLWBQDKYGLEXLW-KRWDZBQOSA-N -1 0 345.406 3.683 20 0 EHADRM CCc1c(C)[n-]n(-c2nnc(-c3ccccc3)n2-c2ccccc2)c1=O ZINC000614189447 1040464895 /nfs/dbraw/zinc/46/48/95/1040464895.db2.gz LLWBQDKYGLEXLW-QGZVFWFLSA-N -1 0 345.406 3.683 20 0 EHADRM Cc1cc(F)cc([N-]S(=O)(=O)c2ccccc2OC(F)F)c1 ZINC000155009209 1040483354 /nfs/dbraw/zinc/48/33/54/1040483354.db2.gz DNQOPJKUKXXGAM-UHFFFAOYSA-N -1 0 331.315 3.536 20 0 EHADRM COc1c(NC(=O)[C@@H]2C[C@@H]2c2sccc2C)cccc1C(=O)[O-] ZINC000908506178 1040497844 /nfs/dbraw/zinc/49/78/44/1040497844.db2.gz AIIQLTNMMHLFEU-NWDGAFQWSA-N -1 0 331.393 3.506 20 0 EHADRM COc1cc(OC)c(NC(=O)c2ccc3[n-]c(=S)oc3c2)cc1F ZINC000151032530 1040526748 /nfs/dbraw/zinc/52/67/48/1040526748.db2.gz ASBZYYROIUACLF-UHFFFAOYSA-N -1 0 348.355 3.525 20 0 EHADRM CCCN=c1[n-]nc(Sc2nccc(Oc3ccccc3)n2)s1 ZINC000433041827 1040532372 /nfs/dbraw/zinc/53/23/72/1040532372.db2.gz WBDMDXKBCUYTQN-UHFFFAOYSA-N -1 0 345.453 3.515 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1nc2c(ccc(F)c2F)s1 ZINC000500876355 1040534726 /nfs/dbraw/zinc/53/47/26/1040534726.db2.gz PBAOOQOROZSUGZ-UHFFFAOYSA-N -1 0 346.405 3.745 20 0 EHADRM Cc1oc2ccc(NC(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])cc2c1C ZINC000908625955 1040537476 /nfs/dbraw/zinc/53/74/76/1040537476.db2.gz SVOCQWHRTORJHL-GHJWDPDVSA-N -1 0 328.368 3.519 20 0 EHADRM CC(C)(CC(=O)N[C@@H](CC(=O)[O-])c1cccs1)CC(F)(F)F ZINC000908637502 1040543696 /nfs/dbraw/zinc/54/36/96/1040543696.db2.gz IPAKOEHIINWWGT-VIFPVBQESA-N -1 0 337.363 3.749 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)N2C3CCC2(C(=O)[O-])CC3)c1 ZINC000908639112 1040543942 /nfs/dbraw/zinc/54/39/42/1040543942.db2.gz OJDNOQGLUXWRMK-UHFFFAOYSA-N -1 0 346.427 3.615 20 0 EHADRM CC(C)c1cnc(NC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)s1 ZINC000908680803 1040570766 /nfs/dbraw/zinc/57/07/66/1040570766.db2.gz GYLUUIXGADBJSI-ZDUSSCGKSA-N -1 0 333.413 3.556 20 0 EHADRM CCCCN(CC)c1ccc(C(=O)N2CCC(CC(=O)[O-])CC2)cc1 ZINC000908681485 1040570927 /nfs/dbraw/zinc/57/09/27/1040570927.db2.gz QKFWFUOSUOTWNS-UHFFFAOYSA-N -1 0 346.471 3.640 20 0 EHADRM CC[C@@H](CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2)c1ccccc1 ZINC000908704549 1040599634 /nfs/dbraw/zinc/59/96/34/1040599634.db2.gz JRXISPSCEGNMKR-VMEOHVCESA-N -1 0 329.440 3.722 20 0 EHADRM CC[C@@H](NC(=O)c1ccccc1CCC(=O)[O-])c1ccc(F)cc1F ZINC000908817550 1040665093 /nfs/dbraw/zinc/66/50/93/1040665093.db2.gz SJEWOUADACTAEY-QGZVFWFLSA-N -1 0 347.361 3.863 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000908819002 1040666341 /nfs/dbraw/zinc/66/63/41/1040666341.db2.gz AGEMWSNRUQEZPL-KBPBESRZSA-N -1 0 327.380 3.613 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)N=c1[n-]nc(C(C)(C)C)s1)C1CC1 ZINC000490738125 1040715802 /nfs/dbraw/zinc/71/58/02/1040715802.db2.gz YVFNGYYFZCGZPS-CQSZACIVSA-N -1 0 344.484 3.839 20 0 EHADRM O=C(CCc1c[nH]c2ccccc12)[N-]S(=O)(=O)c1cccs1 ZINC000042242892 1040728052 /nfs/dbraw/zinc/72/80/52/1040728052.db2.gz RJFJYDFNZRCQNB-UHFFFAOYSA-N -1 0 334.422 3.507 20 0 EHADRM Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000913358339 1040757993 /nfs/dbraw/zinc/75/79/93/1040757993.db2.gz ZWIYLFXAKKESJL-UONOGXRCSA-N -1 0 347.422 3.795 20 0 EHADRM CSc1cc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c(C)o1 ZINC000909066893 1040788695 /nfs/dbraw/zinc/78/86/95/1040788695.db2.gz FUTPHZHFAFUFGQ-ZUZCIYMTSA-N -1 0 333.409 3.502 20 0 EHADRM C[C@H](C(=O)NCCCCCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000909088476 1040793752 /nfs/dbraw/zinc/79/37/52/1040793752.db2.gz FXURZQVZRYVSGP-NSHDSACASA-N -1 0 331.334 3.570 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)c2scnc2C2CCCC2)c1 ZINC000909124596 1040818926 /nfs/dbraw/zinc/81/89/26/1040818926.db2.gz CDHHVLJQRSEQNZ-UHFFFAOYSA-N -1 0 346.408 3.516 20 0 EHADRM Cc1ccccc1[C@@H](C)Sc1n[n-]c(=NC[C@H]2CCCO2)s1 ZINC000481391450 1040830662 /nfs/dbraw/zinc/83/06/62/1040830662.db2.gz HPTFIRIPWVRTHT-CHWSQXEVSA-N -1 0 335.498 3.713 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)c2occ3c2CCC3)c1 ZINC000909224725 1040882587 /nfs/dbraw/zinc/88/25/87/1040882587.db2.gz QQMXZQSDORVCHC-UHFFFAOYSA-N -1 0 345.420 3.729 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)c2ccccc2COC(C)(C)C)C1 ZINC000909699379 1040942405 /nfs/dbraw/zinc/94/24/05/1040942405.db2.gz GYLUNLAJDQCQKH-FQEVSTJZSA-N -1 0 347.455 3.575 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)NCC1CC(c2ccccc2)C1 ZINC000909715636 1040951489 /nfs/dbraw/zinc/95/14/89/1040951489.db2.gz NJKSCJJHNPPNCC-UHFFFAOYSA-N -1 0 337.419 3.627 20 0 EHADRM C[C@H](NC(=O)C1(C2CCCCC2)CC1)c1ccc(OCC(=O)[O-])cc1 ZINC000909797796 1041003928 /nfs/dbraw/zinc/00/39/28/1041003928.db2.gz SGGIRFHGOOBLCU-AWEZNQCLSA-N -1 0 345.439 3.688 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)N[C@@H](C)c1ccccc1OC(F)F ZINC000899762835 1041091097 /nfs/dbraw/zinc/09/10/97/1041091097.db2.gz XLBOHHWYKORZRW-RYUDHWBXSA-N -1 0 343.370 3.602 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)C[C@H](C(=O)[O-])c2ccc(C)cc2)c1 ZINC000899765299 1041095040 /nfs/dbraw/zinc/09/50/40/1041095040.db2.gz CVAWKWHMFKLXMN-KSSFIOAISA-N -1 0 341.407 3.899 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)NCc1csc(-c2ccccc2)n1 ZINC000899772212 1041110033 /nfs/dbraw/zinc/11/00/33/1041110033.db2.gz FBENWTKIRWQJOM-AWEZNQCLSA-N -1 0 346.452 3.563 20 0 EHADRM Cc1coc(-c2ccc(C)c(NC(=O)[C@H]3C[C@]3(C(=O)[O-])C(C)C)c2)n1 ZINC000899774395 1041110557 /nfs/dbraw/zinc/11/05/57/1041110557.db2.gz RHPGMMNLBDMFNV-KUHUBIRLSA-N -1 0 342.395 3.644 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000570964094 1041127911 /nfs/dbraw/zinc/12/79/11/1041127911.db2.gz AHTOIKIOOQAYQC-ONGXEEELSA-N -1 0 342.848 3.636 20 0 EHADRM C[C@H](c1ccc(C(=O)N[C@H]2CCC[C@@]2(C)C(=O)[O-])cc1)C(F)(F)F ZINC000909992133 1041130444 /nfs/dbraw/zinc/13/04/44/1041130444.db2.gz AAXUDTXRVZDMFQ-AKWBHNSASA-N -1 0 343.345 3.726 20 0 EHADRM C[C@H](c1ccc(C(=O)N[C@@H]2CCC[C@]2(C)C(=O)[O-])cc1)C(F)(F)F ZINC000909992136 1041130718 /nfs/dbraw/zinc/13/07/18/1041130718.db2.gz AAXUDTXRVZDMFQ-ZXIHIIQKSA-N -1 0 343.345 3.726 20 0 EHADRM Cc1cccc2c1CCC[C@H]2NC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000909991892 1041131058 /nfs/dbraw/zinc/13/10/58/1041131058.db2.gz MAIFEQGQKKCRET-PBPGXSGUSA-N -1 0 327.424 3.524 20 0 EHADRM Cc1ncc(-c2ccc(NC(=O)[C@H](CC(=O)[O-])CC(C)C)cc2)o1 ZINC000899798939 1041134505 /nfs/dbraw/zinc/13/45/05/1041134505.db2.gz MJMYYXTVLQQXQF-AWEZNQCLSA-N -1 0 330.384 3.726 20 0 EHADRM CCCCOc1ccccc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-] ZINC000899799936 1041136345 /nfs/dbraw/zinc/13/63/45/1041136345.db2.gz UEHPLJOFFGWADY-BAGFXWCHSA-N -1 0 343.423 3.717 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1cccc(-c2nccs2)c1 ZINC000899800145 1041136551 /nfs/dbraw/zinc/13/65/51/1041136551.db2.gz CKFCDGKDPVJYDO-ZDUSSCGKSA-N -1 0 332.425 3.886 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1cc(Br)ccc1F ZINC000899800283 1041139341 /nfs/dbraw/zinc/13/93/41/1041139341.db2.gz WNEUJNCMNOHDFQ-SECBINFHSA-N -1 0 346.196 3.664 20 0 EHADRM COc1c(F)cc(NC(=O)CC2(CC(=O)[O-])CCCCC2)cc1F ZINC000055151410 1041143174 /nfs/dbraw/zinc/14/31/74/1041143174.db2.gz PGBSUYSYUZPURO-UHFFFAOYSA-N -1 0 341.354 3.727 20 0 EHADRM CCCOc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C(=O)[O-])c(C)c1 ZINC000899803084 1041144213 /nfs/dbraw/zinc/14/42/13/1041144213.db2.gz LRYCNFRWWDDFIV-BAGFXWCHSA-N -1 0 343.423 3.635 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N2CCC[C@@H]2c2cccs2)C(=O)[O-])cc1 ZINC000899796843 1041148439 /nfs/dbraw/zinc/14/84/39/1041148439.db2.gz RILKSNQYLAZYSF-HZPDHXFCSA-N -1 0 343.448 3.979 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N(C)[C@H]2CCc3ccccc32)C(=O)[O-])cc1 ZINC000899796969 1041148763 /nfs/dbraw/zinc/14/87/63/1041148763.db2.gz UVPVNNFJLUOWOR-MOPGFXCFSA-N -1 0 337.419 3.699 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1ccccc1OCC(F)(F)F ZINC000899796866 1041148781 /nfs/dbraw/zinc/14/87/81/1041148781.db2.gz RTVATBAXFSYLCA-NSHDSACASA-N -1 0 347.333 3.703 20 0 EHADRM COc1ccc(C(C)(C)CNC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000064056964 1041148704 /nfs/dbraw/zinc/14/87/04/1041148704.db2.gz HIIDQCZVQYSNIZ-UHFFFAOYSA-N -1 0 333.815 3.762 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000899809707 1041157210 /nfs/dbraw/zinc/15/72/10/1041157210.db2.gz RJDIOYDMGUGOOB-GFCCVEGCSA-N -1 0 331.334 3.867 20 0 EHADRM Cc1ccccc1[C@H](C)C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])cs1 ZINC000910103878 1041192476 /nfs/dbraw/zinc/19/24/76/1041192476.db2.gz OYTNIJUNWFTATL-SWLSCSKDSA-N -1 0 344.436 3.617 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)NCc1ccc(C(F)(F)F)s1 ZINC000899832706 1041195763 /nfs/dbraw/zinc/19/57/63/1041195763.db2.gz HQMPNDUSEVXSSH-VIFPVBQESA-N -1 0 337.363 3.520 20 0 EHADRM CC[C@](C)(CC(=O)[O-])C(=O)N[C@@H](c1ccc(OC)cc1)C1CCC1 ZINC000899838707 1041202835 /nfs/dbraw/zinc/20/28/35/1041202835.db2.gz CPIFURYIZARKNJ-IEBWSBKVSA-N -1 0 333.428 3.544 20 0 EHADRM CCCCCC(=O)N1Cc2sc(C(=O)[O-])c(Br)c2C1 ZINC000910168300 1041216006 /nfs/dbraw/zinc/21/60/06/1041216006.db2.gz RJXSCKOMOZAMBS-UHFFFAOYSA-N -1 0 346.246 3.631 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)N2CC[C@@H](C)C[C@H]2C(=O)[O-])c1 ZINC000555851969 1041225287 /nfs/dbraw/zinc/22/52/87/1041225287.db2.gz SBVNIYWXZWYDCX-PBHICJAKSA-N -1 0 348.443 3.829 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)c1[nH]c2ccc(F)cc2c1Cl)C(=O)[O-] ZINC000652076563 1041229548 /nfs/dbraw/zinc/22/95/48/1041229548.db2.gz KYPNLLWFMYIFIN-LLVKDONJSA-N -1 0 340.782 3.580 20 0 EHADRM CCOC(=O)[C@H](Sc1ncc(C)c(=O)[nH]1)c1cccc(Cl)c1 ZINC000571344695 1041273022 /nfs/dbraw/zinc/27/30/22/1041273022.db2.gz JBSHFQICXJDTMS-GFCCVEGCSA-N -1 0 338.816 3.541 20 0 EHADRM CC(F)(F)c1cccc(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])c1 ZINC000571401727 1041286729 /nfs/dbraw/zinc/28/67/29/1041286729.db2.gz YYTSNZCYMJOBOD-BPNCWPANSA-N -1 0 338.354 3.515 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cc(C)ccc2Cl)cc1 ZINC000498006820 1041376535 /nfs/dbraw/zinc/37/65/35/1041376535.db2.gz XJBNSMIGGOPDOC-UHFFFAOYSA-N -1 0 325.817 3.848 20 0 EHADRM Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(OC(C)C)cc1F ZINC000052025439 1041435536 /nfs/dbraw/zinc/43/55/36/1041435536.db2.gz HNDNNYGGLJBERZ-UHFFFAOYSA-N -1 0 341.379 3.861 20 0 EHADRM O=C([N-]c1n[nH]c(-c2ccccc2F)n1)c1cc(-c2ccccc2)no1 ZINC000109625144 1041460702 /nfs/dbraw/zinc/46/07/02/1041460702.db2.gz KKWZGNSDMQVJMN-UHFFFAOYSA-N -1 0 349.325 3.518 20 0 EHADRM Cc1c2cccc(C)c2oc1CN(C)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000652098567 1041604645 /nfs/dbraw/zinc/60/46/45/1041604645.db2.gz NGKCCFAXSGNYLN-UHFFFAOYSA-N -1 0 346.427 3.692 20 0 EHADRM C[C@]1(NC(=O)c2cc3cc(Cl)ccc3o2)CCCC[C@@H]1C(=O)[O-] ZINC000432126761 1041625864 /nfs/dbraw/zinc/62/58/64/1041625864.db2.gz OOINRPHHYOPFRB-PXAZEXFGSA-N -1 0 335.787 3.850 20 0 EHADRM CCCc1ccc(CCCC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1 ZINC000652122997 1041665864 /nfs/dbraw/zinc/66/58/64/1041665864.db2.gz UXDOZYKTZCNECX-RBUKOAKNSA-N -1 0 343.467 3.531 20 0 EHADRM O=S(=O)(N[C@@H]1CCc2c1cccc2Cl)c1ccc(F)cc1F ZINC000511880460 1041841470 /nfs/dbraw/zinc/84/14/70/1041841470.db2.gz VLFUXSDQQZTUQH-CQSZACIVSA-N -1 0 343.782 3.584 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1cccc(OC2CCCC2)c1 ZINC000044830923 1041992608 /nfs/dbraw/zinc/99/26/08/1041992608.db2.gz NJIZEKHTCPTXSV-DLBZAZTESA-N -1 0 329.396 3.614 20 0 EHADRM COCc1cc(N2CCC[C@@H](CCC(=O)[O-])C2)c2cc(F)ccc2n1 ZINC000662888183 1042196712 /nfs/dbraw/zinc/19/67/12/1042196712.db2.gz XDEPYGSJODUKDC-ZDUSSCGKSA-N -1 0 346.402 3.602 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1c1nccc2cc(C(F)(F)F)ccc21 ZINC000662894049 1042203818 /nfs/dbraw/zinc/20/38/18/1042203818.db2.gz RRFQEXDQJMGQRB-ZYHUDNBSSA-N -1 0 338.329 3.943 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1c1cnc2cc(Cl)c(Cl)cc2n1 ZINC000662895023 1042204963 /nfs/dbraw/zinc/20/49/63/1042204963.db2.gz XUFKAIONFYLSJH-IUCAKERBSA-N -1 0 340.210 3.626 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)Cc1cccc(C(F)F)c1 ZINC000909373591 1042277455 /nfs/dbraw/zinc/27/74/55/1042277455.db2.gz AULOWLTVQKGGJF-MRXNPFEDSA-N -1 0 347.361 3.807 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@@]3(C(=O)[O-])CC3(C)C)c2)cs1 ZINC000663031274 1042366226 /nfs/dbraw/zinc/36/62/26/1042366226.db2.gz VEWKCRVMKZCPSQ-QGZVFWFLSA-N -1 0 330.409 3.558 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)C[C@]23CCCC[C@H]2C3(F)F)c2ccccc21 ZINC000663054016 1042401113 /nfs/dbraw/zinc/40/11/13/1042401113.db2.gz HIWRVFWNRMVDHI-DDUZABMNSA-N -1 0 349.377 3.807 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000663080663 1042426839 /nfs/dbraw/zinc/42/68/39/1042426839.db2.gz INPKVDNBRAPSNZ-DGCLKSJQSA-N -1 0 341.860 3.740 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1NC(=O)C1(C(=O)[O-])CCC1 ZINC000663082593 1042429809 /nfs/dbraw/zinc/42/98/09/1042429809.db2.gz BOXZBHOSQNGAIH-UHFFFAOYSA-N -1 0 325.364 3.981 20 0 EHADRM CCc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)sc1C ZINC000013257626 1042438493 /nfs/dbraw/zinc/43/84/93/1042438493.db2.gz JGSCIQPXCZLGTH-CQSZACIVSA-N -1 0 335.400 3.704 20 0 EHADRM CCOc1cccc2cc([C@H](C)NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)oc21 ZINC000663094222 1042443374 /nfs/dbraw/zinc/44/33/74/1042443374.db2.gz HWBPLXQPOCIKPB-NHYWBVRUSA-N -1 0 347.411 3.756 20 0 EHADRM CC(C)(C)C1CCC(CC(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)CC1 ZINC000408198368 1042459722 /nfs/dbraw/zinc/45/97/22/1042459722.db2.gz MSKVVHIOHJIHJL-SLTAFYQDSA-N -1 0 349.475 3.724 20 0 EHADRM Cc1cc(NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)ccc1Oc1cccnc1 ZINC000663111464 1042463155 /nfs/dbraw/zinc/46/31/55/1042463155.db2.gz OVRQWLCIJQTNGC-LJQANCHMSA-N -1 0 340.379 3.622 20 0 EHADRM Cc1cc2cc[nH]c2cc1NC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000487375251 1042487222 /nfs/dbraw/zinc/48/72/22/1042487222.db2.gz FCJIBESTOAMXLV-UHFFFAOYSA-N -1 0 332.363 3.620 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)NC[C@@H](C(=O)[O-])C2CCC2)cc1 ZINC000663145920 1042490999 /nfs/dbraw/zinc/49/09/99/1042490999.db2.gz ATWGLFLLSKDZCT-MRXNPFEDSA-N -1 0 343.448 3.954 20 0 EHADRM O=C([O-])[C@H](CNC(=O)[C@H]1C[C@H]1c1cccc2ccccc21)C1CCC1 ZINC000663150527 1042493971 /nfs/dbraw/zinc/49/39/71/1042493971.db2.gz KDNLNCCECKCLLL-GBESFXJTSA-N -1 0 337.419 3.560 20 0 EHADRM Cc1c(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)oc2c1c(C)ccc2C ZINC000663150586 1042494237 /nfs/dbraw/zinc/49/42/37/1042494237.db2.gz LAWIPVGHVVUZHU-CQSZACIVSA-N -1 0 329.396 3.589 20 0 EHADRM C[C@@H](C(=O)NC[C@@H](C(=O)[O-])C1CCC1)c1ccc(Cl)c(Cl)c1 ZINC000663153119 1042496568 /nfs/dbraw/zinc/49/65/68/1042496568.db2.gz ILIGZYVUAZHWFI-BXKDBHETSA-N -1 0 344.238 3.714 20 0 EHADRM CSc1ccc(O)c(C(=O)N2CC(C)(C)[C@@H]2c2ccncc2)c1 ZINC000663164525 1042512823 /nfs/dbraw/zinc/51/28/23/1042512823.db2.gz CZGSSTSZOHJMGX-INIZCTEOSA-N -1 0 328.437 3.732 20 0 EHADRM COc1c(F)cc(Nc2c(C)cc(C)cc2S(=O)(=O)[O-])cc1F ZINC001211684502 1042514337 /nfs/dbraw/zinc/51/43/37/1042514337.db2.gz BTTWZVMDKASRDH-UHFFFAOYSA-N -1 0 343.351 3.581 20 0 EHADRM CCS[C@@H]1CCC[C@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000184477503 1042554909 /nfs/dbraw/zinc/55/49/09/1042554909.db2.gz OYNRGSVEGWQGGK-WDEREUQCSA-N -1 0 331.840 3.979 20 0 EHADRM Cc1cccc2c1CCC[C@H]2NC(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC000663228568 1042574132 /nfs/dbraw/zinc/57/41/32/1042574132.db2.gz JPARYCBIQDDNLI-RBUKOAKNSA-N -1 0 337.419 3.747 20 0 EHADRM O=C(c1cccc(F)c1[O-])N1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC001167792275 1042597699 /nfs/dbraw/zinc/59/76/99/1042597699.db2.gz BMVDSDYOSIIBOU-LBPRGKRZSA-N -1 0 335.325 3.829 20 0 EHADRM COc1cc(C)c(NC(=O)c2cc(F)cc(Cl)c2[O-])cc1F ZINC000186157452 1042650844 /nfs/dbraw/zinc/65/08/44/1042650844.db2.gz JCGWGJUDJZJCIS-UHFFFAOYSA-N -1 0 327.714 3.893 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)Nc1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000601988754 1042654894 /nfs/dbraw/zinc/65/48/94/1042654894.db2.gz VJBYMOZTFAFMQO-RYUDHWBXSA-N -1 0 337.441 3.541 20 0 EHADRM CC(C)N(Cc1ccccc1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000302907387 1042684359 /nfs/dbraw/zinc/68/43/59/1042684359.db2.gz MMQHPWKQXITWPU-UHFFFAOYSA-N -1 0 326.396 3.505 20 0 EHADRM O=C(Nc1ccccc1OCC(F)F)c1cc(F)c([O-])c(F)c1 ZINC000186868827 1042715924 /nfs/dbraw/zinc/71/59/24/1042715924.db2.gz UEGVIWVVHUPGFT-UHFFFAOYSA-N -1 0 329.249 3.567 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)Nc1cccc(OC2CCCC2)c1)C1CCC1 ZINC000663340499 1042725620 /nfs/dbraw/zinc/72/56/20/1042725620.db2.gz FQJOPWRDITXXFL-KRWDZBQOSA-N -1 0 346.427 3.630 20 0 EHADRM O=C([O-])[C@H](CNC(=O)Nc1cccc(OC2CCCC2)c1)C1CCC1 ZINC000663340504 1042725670 /nfs/dbraw/zinc/72/56/70/1042725670.db2.gz FQJOPWRDITXXFL-QGZVFWFLSA-N -1 0 346.427 3.630 20 0 EHADRM O=C(NNc1ccc(Cl)nn1)NC(C1CCCC1)C1CCCC1 ZINC000261427847 1042753749 /nfs/dbraw/zinc/75/37/49/1042753749.db2.gz JMYVXEGWXRDBKX-UHFFFAOYSA-N -1 0 337.855 3.505 20 0 EHADRM FC(F)c1n[n-]c(=NC[C@@H](Cc2ccccc2)c2ccccc2)o1 ZINC000432319474 1042842982 /nfs/dbraw/zinc/84/29/82/1042842982.db2.gz GMCKIEGKXZKFFO-OAHLLOKOSA-N -1 0 329.350 3.868 20 0 EHADRM Cc1ccc(CN=c2[n-]nc(C(F)F)o2)c(OCCC(C)C)c1 ZINC000432337209 1042971580 /nfs/dbraw/zinc/97/15/80/1042971580.db2.gz QPAIZLNSLGAEFX-UHFFFAOYSA-N -1 0 325.359 3.775 20 0 EHADRM CC(C)Oc1ccc(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000653333124 1042981135 /nfs/dbraw/zinc/98/11/35/1042981135.db2.gz LKLFMWKZUBNLEW-ROUUACIJSA-N -1 0 339.391 3.517 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)c2csc3c2CCCC3)c2ccccc21 ZINC000653332933 1042982103 /nfs/dbraw/zinc/98/21/03/1042982103.db2.gz KARVSPOGBZWSCG-HOCLYGCPSA-N -1 0 341.432 3.670 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)N[C@H]2CCC[C@H]2c2ccccc2)s[n-]1 ZINC000604800626 1042991969 /nfs/dbraw/zinc/99/19/69/1042991969.db2.gz AFIYKVZMENRFHI-KBPBESRZSA-N -1 0 344.484 3.715 20 0 EHADRM O=S(=O)([N-]c1cnccc1-c1ccccc1)c1cccc(F)c1F ZINC000432359953 1042998586 /nfs/dbraw/zinc/99/85/86/1042998586.db2.gz VDHSFPPCGTUVPG-UHFFFAOYSA-N -1 0 346.358 3.828 20 0 EHADRM Cc1ccc(C(C)(C)C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000653334633 1043461519 /nfs/dbraw/zinc/46/15/19/1043461519.db2.gz CWQKQCGXTTWDFQ-ZWKOTPCHSA-N -1 0 337.419 3.702 20 0 EHADRM CC[C@H](C)[C@H](C(=O)NCc1nc(C)c(C(=O)[O-])s1)c1ccccc1 ZINC000324631544 1044488850 /nfs/dbraw/zinc/48/88/50/1044488850.db2.gz GBVXYAMCCXLZRK-NHYWBVRUSA-N -1 0 346.452 3.596 20 0 EHADRM CCCc1ccc(C(=O)N[C@@H](C)c2nc(C)c(C(=O)[O-])s2)cc1 ZINC000236914572 1044501483 /nfs/dbraw/zinc/50/14/83/1044501483.db2.gz LLESMRYHTBCXBW-NSHDSACASA-N -1 0 332.425 3.593 20 0 EHADRM CC[C@@H](N=c1nc([C@H](C)OC)[n-]s1)c1nc(-c2ccccc2)c[nH]1 ZINC000337882652 1044515618 /nfs/dbraw/zinc/51/56/18/1044515618.db2.gz VSNNKLSWJQGFQZ-WCQYABFASA-N -1 0 343.456 3.621 20 0 EHADRM Cc1c(Cl)cccc1NNC(=O)c1cc(F)c(F)c([O-])c1F ZINC000183424851 1125563618 /nfs/dbraw/zinc/56/36/18/1125563618.db2.gz ZGYPLPCGRRDUCU-UHFFFAOYSA-N -1 0 330.693 3.528 20 0 EHADRM CC[C@](NCc1cnc(C(C)(C)C)s1)(C(=O)[O-])c1ccccc1 ZINC000901649912 1126128826 /nfs/dbraw/zinc/12/88/26/1126128826.db2.gz HAPKGVDIZWBSRX-GOSISDBHSA-N -1 0 332.469 3.920 20 0 EHADRM Cc1ccc(C[C@@H](NCc2csc(C(C)C)n2)C(=O)[O-])cc1C ZINC001328713999 1126174429 /nfs/dbraw/zinc/17/44/29/1126174429.db2.gz NQMMKAYCXNZEQU-MRXNPFEDSA-N -1 0 332.469 3.669 20 0 EHADRM O=C(CCc1ccon1)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000622481129 1126706127 /nfs/dbraw/zinc/70/61/27/1126706127.db2.gz HQKLJSWVIZOPTO-UHFFFAOYSA-N -1 0 335.574 3.912 20 0 EHADRM CC[C@H](CC(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1ccccc1 ZINC000171468456 1126717010 /nfs/dbraw/zinc/71/70/10/1126717010.db2.gz OCMVJOUIBOEOET-CYBMUJFWSA-N -1 0 337.379 3.552 20 0 EHADRM CCCCN1Cc2cccc([N-]S(=O)(=O)c3ccccc3F)c2C1 ZINC000171345842 1126762827 /nfs/dbraw/zinc/76/28/27/1126762827.db2.gz GBRLJGFDAJVQJF-UHFFFAOYSA-N -1 0 348.443 3.742 20 0 EHADRM O=C(Nc1cccc(C(=O)Nc2cccc(Cl)c2[O-])c1)NC1CC1 ZINC000172110730 1126780957 /nfs/dbraw/zinc/78/09/57/1126780957.db2.gz OCJBMRTYTLIIBQ-UHFFFAOYSA-N -1 0 345.786 3.582 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1c[nH]nc1-c1ccc(F)cc1 ZINC000172110144 1126781140 /nfs/dbraw/zinc/78/11/40/1126781140.db2.gz QXFLGTRBJBRAPK-UHFFFAOYSA-N -1 0 331.734 3.827 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)c(C)s1 ZINC000336876589 1126813628 /nfs/dbraw/zinc/81/36/28/1126813628.db2.gz HFEXFNGGZWTPAE-YJYMSZOUSA-N -1 0 345.464 3.975 20 0 EHADRM CC(C)(NC(=O)Nc1ccccc1)C(=O)Nc1cccc(Cl)c1[O-] ZINC000179727256 1127084733 /nfs/dbraw/zinc/08/47/33/1127084733.db2.gz BAKMOSKUHFMECR-UHFFFAOYSA-N -1 0 347.802 3.584 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)o1 ZINC000180125483 1127124443 /nfs/dbraw/zinc/12/44/43/1127124443.db2.gz NMJTZCRKWNGDHL-UHFFFAOYSA-N -1 0 347.330 3.773 20 0 EHADRM CCOC(=O)c1cc(NC(=O)c2sc3ccc(F)cc3c2C)[nH]n1 ZINC000180938345 1127192414 /nfs/dbraw/zinc/19/24/14/1127192414.db2.gz UVQYIWMEDVVNOF-UHFFFAOYSA-N -1 0 347.371 3.501 20 0 EHADRM Cc1nn(C(C)(C)C)cc1[C@H](C)N=c1[n-]c(-c2ccc(F)cc2)no1 ZINC000624106208 1127252505 /nfs/dbraw/zinc/25/25/05/1127252505.db2.gz RSAMAGCAQCAQKH-NSHDSACASA-N -1 0 343.406 3.731 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cccc3ccsc32)C1 ZINC000386404411 1127674583 /nfs/dbraw/zinc/67/45/83/1127674583.db2.gz IKDFPXOAIRGURN-ZDUSSCGKSA-N -1 0 331.437 3.864 20 0 EHADRM CC(C)[C@H](CNC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000671643407 1127758467 /nfs/dbraw/zinc/75/84/67/1127758467.db2.gz WMJZDVIFSKXUHX-ZACQAIPSSA-N -1 0 349.858 3.863 20 0 EHADRM C[C@@H](CNC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)CC(=O)[O-] ZINC000347495156 1127765190 /nfs/dbraw/zinc/76/51/90/1127765190.db2.gz KJUIZPGLUVULLN-LLVKDONJSA-N -1 0 349.333 3.598 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3C[C@@H]4CCC[C@@H]4C3)n2)c1 ZINC000155177854 1127925104 /nfs/dbraw/zinc/92/51/04/1127925104.db2.gz QIWSQYHCNDCSIO-IYBDPMFKSA-N -1 0 339.439 3.573 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3C[C@@H]4CCC[C@@H]4C3)n2)cc1 ZINC000155187852 1127927198 /nfs/dbraw/zinc/92/71/98/1127927198.db2.gz BBQRXWSCXLCMGP-IYBDPMFKSA-N -1 0 339.439 3.573 20 0 EHADRM CC(C)[C@H](Sc1ccccc1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000347515167 1128029809 /nfs/dbraw/zinc/02/98/09/1128029809.db2.gz JWAQSVMFCOKHHF-YJBOKZPZSA-N -1 0 349.496 3.907 20 0 EHADRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000060443491 1128102225 /nfs/dbraw/zinc/10/22/25/1128102225.db2.gz PUUSMULOQZGSEY-UHFFFAOYSA-N -1 0 345.342 3.612 20 0 EHADRM O=C(CCC(=O)c1ccc(Cl)cn1)Nc1cccc(Cl)c1[O-] ZINC000347572462 1128104322 /nfs/dbraw/zinc/10/43/22/1128104322.db2.gz UQGHXWLROCYUJD-UHFFFAOYSA-N -1 0 339.178 3.696 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)c2n[nH]cc21 ZINC000063635278 1128149861 /nfs/dbraw/zinc/14/98/61/1128149861.db2.gz AUIRNVVPPXXPIW-UHFFFAOYSA-N -1 0 335.816 3.634 20 0 EHADRM CCCC[C@H](CCC)CNC(=O)CSc1n[n-]c(=S)s1 ZINC000084826200 1128381171 /nfs/dbraw/zinc/38/11/71/1128381171.db2.gz BJNIETCIGMCHJC-JTQLQIEISA-N -1 0 333.548 3.642 20 0 EHADRM CC(C)[C@H](SCc1ccccc1)C(=O)[N-]S(=O)(=O)CC1CC1 ZINC000073537971 1128395628 /nfs/dbraw/zinc/39/56/28/1128395628.db2.gz BCYZYBPXGZWYCB-HNNXBMFYSA-N -1 0 341.498 3.641 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)[N-]S(=O)(=O)CC3CC3)c(F)c2)cc1 ZINC000073539253 1128395788 /nfs/dbraw/zinc/39/57/88/1128395788.db2.gz ANXVOFABJSDTSD-UHFFFAOYSA-N -1 0 347.411 3.846 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cnc1Cl ZINC000085235534 1128428952 /nfs/dbraw/zinc/42/89/52/1128428952.db2.gz ADUQYQLZQGNGIU-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2F)cnc1Cl ZINC000085235508 1128428989 /nfs/dbraw/zinc/42/89/89/1128428989.db2.gz SIULSGOVPALETH-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2cnc(Cl)c(C)c2)c1 ZINC000085235611 1128430295 /nfs/dbraw/zinc/43/02/95/1128430295.db2.gz QDSQPNFYUPXVEN-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM C[C@H](N=c1[n-]nc(C2CCOCC2)s1)c1ccc(F)cc1Cl ZINC000338673435 1128466496 /nfs/dbraw/zinc/46/64/96/1128466496.db2.gz XAHMEHQQRSPYCU-VIFPVBQESA-N -1 0 341.839 3.820 20 0 EHADRM Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000106724361 1128508904 /nfs/dbraw/zinc/50/89/04/1128508904.db2.gz JJWWNVGBUWZQMH-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)c(F)c1)c1ccc(F)c(F)c1F ZINC000055619695 1128525464 /nfs/dbraw/zinc/52/54/64/1128525464.db2.gz WDGOGSMWLCFBNV-UHFFFAOYSA-N -1 0 339.697 3.697 20 0 EHADRM C[C@@H](NC(=O)N=c1ncn(C2CCCCC2)[n-]1)[C@@H](C)c1ccccc1 ZINC000542723995 1128562708 /nfs/dbraw/zinc/56/27/08/1128562708.db2.gz UQJMGTFMGXBIHC-HUUCEWRRSA-N -1 0 341.459 3.519 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1N(C)C(=O)N=c1ncn(C2CCCCC2)[n-]1 ZINC000542725339 1128563248 /nfs/dbraw/zinc/56/32/48/1128563248.db2.gz VAEVUQAPJMNSLM-ZBFHGGJFSA-N -1 0 333.480 3.638 20 0 EHADRM CC(C)n1cc2c(n1)[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)CCC2 ZINC000765863337 1128622370 /nfs/dbraw/zinc/62/23/70/1128622370.db2.gz NNKJKEPYXRLBMS-AWEZNQCLSA-N -1 0 333.819 3.630 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ncccc2-c2ccccc2)c1F ZINC000542864059 1128709349 /nfs/dbraw/zinc/70/93/49/1128709349.db2.gz DHXMRXCWAYBDRQ-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM C[C@]12CC3CC(C(=O)NC[C@H](CC4CC4)C(=O)[O-])(C1)C[C@@](C)(C3)C2 ZINC000405330506 1128715940 /nfs/dbraw/zinc/71/59/40/1128715940.db2.gz WPWXGFFFWRADFI-JJYOYSIOSA-N -1 0 333.472 3.600 20 0 EHADRM O=S(=O)([N-]c1ccccc1N1CCCCCC1)c1cccs1 ZINC000109423892 1128732411 /nfs/dbraw/zinc/73/24/11/1128732411.db2.gz LTHVSOVTZWVYNX-UHFFFAOYSA-N -1 0 336.482 3.929 20 0 EHADRM COc1ccccc1-c1noc(-c2cc(Br)ccc2[O-])n1 ZINC000149386085 1128806925 /nfs/dbraw/zinc/80/69/25/1128806925.db2.gz DNORASGHBRJQAY-UHFFFAOYSA-N -1 0 347.168 3.880 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000656237439 1128829320 /nfs/dbraw/zinc/82/93/20/1128829320.db2.gz VBQIHWRBTIKHJG-SECBINFHSA-N -1 0 330.211 3.600 20 0 EHADRM CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1c([O-])cc(F)cc1F ZINC000620969313 1128835373 /nfs/dbraw/zinc/83/53/73/1128835373.db2.gz AJUVUJBQEVUOBE-UHFFFAOYSA-N -1 0 345.267 3.961 20 0 EHADRM O=C(NCc1ccc(-c2cccnc2)cc1)c1c([O-])cc(F)cc1F ZINC000075498442 1128863403 /nfs/dbraw/zinc/86/34/03/1128863403.db2.gz ZEIPDIXHVSBINW-UHFFFAOYSA-N -1 0 340.329 3.662 20 0 EHADRM C[C@@H](N=c1[n-]nc(C2CC2)s1)c1ccc(F)c(Br)c1 ZINC000338757409 1128880484 /nfs/dbraw/zinc/88/04/84/1128880484.db2.gz XXTPREBBHPJGRI-SSDOTTSWSA-N -1 0 342.237 3.912 20 0 EHADRM O=C(Nc1ccc2occc2c1)c1nn(-c2cccc(F)c2)cc1[O-] ZINC001648847745 1120053689 /nfs/dbraw/zinc/05/36/89/1120053689.db2.gz SNNLAOGECHZTSW-UHFFFAOYSA-N -1 0 337.310 3.716 20 0 EHADRM O=S(=O)([N-][C@@H](C(F)F)C1CCCCC1)c1cc2ccccc2o1 ZINC001670482855 1120078044 /nfs/dbraw/zinc/07/80/44/1120078044.db2.gz YVLRYHGJNHQOQQ-OAHLLOKOSA-N -1 0 343.395 3.925 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc([O-])c(Cl)c2)[C@H](c2ccccc2)CO1 ZINC000086337379 1120103615 /nfs/dbraw/zinc/10/36/15/1120103615.db2.gz OMBXZTWFOQQUTJ-LRDDRELGSA-N -1 0 331.799 3.648 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1C#N ZINC000224557671 1120166709 /nfs/dbraw/zinc/16/67/09/1120166709.db2.gz CWHWUZKKWLVFHF-UHFFFAOYSA-N -1 0 341.219 3.974 20 0 EHADRM CC[C@H](NCc1cccc(Cl)c1Cl)c1nc(C(=O)[O-])c[nH]1 ZINC000904065511 1120351043 /nfs/dbraw/zinc/35/10/43/1120351043.db2.gz SUCHVUZGIQUPAL-JTQLQIEISA-N -1 0 328.199 3.656 20 0 EHADRM O=C([O-])[C@H](CC(=O)Nc1ccccc1Br)c1ccccc1 ZINC000013253074 1128919553 /nfs/dbraw/zinc/91/95/53/1128919553.db2.gz JNVZDKKZWQIRFS-GFCCVEGCSA-N -1 0 348.196 3.646 20 0 EHADRM CC(C)c1ccccc1S(=O)(=O)[N-]c1nnc(-c2ccccc2)o1 ZINC000191008969 1120658272 /nfs/dbraw/zinc/65/82/72/1120658272.db2.gz RQCSSCVHKPRDJR-UHFFFAOYSA-N -1 0 343.408 3.661 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccccc2)nn1)c1ccc(Cl)cc1 ZINC000191036675 1120659222 /nfs/dbraw/zinc/65/92/22/1120659222.db2.gz OSCXOELUAXEQTD-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc(C2CC2)nc2ccc(C)cc21 ZINC000761651478 1120717466 /nfs/dbraw/zinc/71/74/66/1120717466.db2.gz PILLXVDSXRMWDQ-HXUWFJFHSA-N -1 0 340.423 3.794 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2F)c2cccnc12 ZINC000193125406 1120760081 /nfs/dbraw/zinc/76/00/81/1120760081.db2.gz LJSZPAIILXHDEP-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM CCC[C@@H](C)c1cc(NC(=O)N=c2nc(C(C)(C)C)[n-]s2)n[nH]1 ZINC000494764251 1120781734 /nfs/dbraw/zinc/78/17/34/1120781734.db2.gz CBYZBJCUFWJJBB-SECBINFHSA-N -1 0 336.465 3.528 20 0 EHADRM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000195438102 1120784116 /nfs/dbraw/zinc/78/41/16/1120784116.db2.gz YUNBOBIJAJGTQI-UHFFFAOYSA-N -1 0 341.379 3.960 20 0 EHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000761744136 1120867488 /nfs/dbraw/zinc/86/74/88/1120867488.db2.gz KZPQNHDINIHSIV-HVJHFUJKSA-N -1 0 343.810 3.728 20 0 EHADRM CS[C@H]1CCC[C@H](NC(=O)c2cc(Br)ccc2O)C1 ZINC000227355356 1120877459 /nfs/dbraw/zinc/87/74/59/1120877459.db2.gz PHMURVKOMLEAHR-QWRGUYRKSA-N -1 0 344.274 3.559 20 0 EHADRM Cc1cc2nc(NCCc3ccc(C(=O)[O-])cc3)c3ccccc3n2n1 ZINC000914570718 1120903656 /nfs/dbraw/zinc/90/36/56/1120903656.db2.gz JXFMTDYOLGSLSS-UHFFFAOYSA-N -1 0 346.390 3.544 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2c(F)cccc2Br)CCCC1 ZINC000227755998 1120909665 /nfs/dbraw/zinc/90/96/65/1120909665.db2.gz USCAIRSWLBVTHR-UHFFFAOYSA-N -1 0 344.180 3.562 20 0 EHADRM O=C(Nc1ccc(Oc2cccnc2)cc1)c1s[n-]c(=O)c1Cl ZINC000494998167 1120929269 /nfs/dbraw/zinc/92/92/69/1120929269.db2.gz LVTGJDXEJUIGEC-UHFFFAOYSA-N -1 0 347.783 3.942 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1C[C@H]1c1ccccc1Cl ZINC000262392505 1120981274 /nfs/dbraw/zinc/98/12/74/1120981274.db2.gz NALNZYQRFPVUBR-LLLJDESDSA-N -1 0 347.842 3.688 20 0 EHADRM CC(=O)c1cc(C(=O)Nc2c(F)cc(C(C)=O)c(F)c2F)cs1 ZINC001127321467 1121000086 /nfs/dbraw/zinc/00/00/86/1121000086.db2.gz LAUFZFJMVNJIDI-UHFFFAOYSA-N -1 0 341.310 3.823 20 0 EHADRM O=S(=O)([N-]c1csc2ccccc12)c1cnc(Cl)c(F)c1 ZINC000761968325 1121023439 /nfs/dbraw/zinc/02/34/39/1121023439.db2.gz BPELEBVHDKUASX-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM CSc1ccc(C)c([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)c1 ZINC000761969240 1121024982 /nfs/dbraw/zinc/02/49/82/1121024982.db2.gz IDHREIVUUIJFKS-UHFFFAOYSA-N -1 0 346.836 3.705 20 0 EHADRM C[C@H]1CCN(C(=O)c2s[n-]c(=O)c2Cl)C[C@@H]1c1ccccc1 ZINC000915015409 1121103302 /nfs/dbraw/zinc/10/33/02/1121103302.db2.gz RDYFUNLMYQWUBB-JQWIXIFHSA-N -1 0 336.844 3.768 20 0 EHADRM CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000762169303 1121140923 /nfs/dbraw/zinc/14/09/23/1121140923.db2.gz YVUIIYFPKBJVKP-LLVKDONJSA-N -1 0 349.855 3.809 20 0 EHADRM O=S(=O)(C=Cc1ccc(Cl)cc1)Nc1cccc2n[nH]cc21 ZINC000213984014 1128974931 /nfs/dbraw/zinc/97/49/31/1128974931.db2.gz OGXPRCDXNRAYIS-HJWRWDBZSA-N -1 0 333.800 3.629 20 0 EHADRM Cc1ccc(SCCC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000237766452 1121493691 /nfs/dbraw/zinc/49/36/91/1121493691.db2.gz BQFPKFUOAMBZNU-HNNXBMFYSA-N -1 0 335.469 3.581 20 0 EHADRM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(SC(F)F)cc1 ZINC000238062408 1121501905 /nfs/dbraw/zinc/50/19/05/1121501905.db2.gz YBBMHZQKKVTOMH-NEPJUHHUSA-N -1 0 329.368 3.831 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)/C=C/c2sc3ccccc3c2Cl)C1 ZINC000238095163 1121502596 /nfs/dbraw/zinc/50/25/96/1121502596.db2.gz MFFNCXDUAALUFY-PORFMDCZSA-N -1 0 335.812 3.501 20 0 EHADRM CC(C)Oc1cc(O)ccc1NC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000762919999 1121523944 /nfs/dbraw/zinc/52/39/44/1121523944.db2.gz KNJSHZKRAURWAV-UHFFFAOYSA-N -1 0 339.750 3.930 20 0 EHADRM COc1cccc(CSc2n[n-]c(=Nc3ccccc3F)s2)n1 ZINC000495830488 1121537700 /nfs/dbraw/zinc/53/77/00/1121537700.db2.gz SQMXPFKAXZSGLW-UHFFFAOYSA-N -1 0 348.428 3.539 20 0 EHADRM CCCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000316635917 1121594851 /nfs/dbraw/zinc/59/48/51/1121594851.db2.gz FEVNFMUPCJVQOM-UHFFFAOYSA-N -1 0 339.438 3.508 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1ccccc1OC(F)F ZINC000762967049 1121619340 /nfs/dbraw/zinc/61/93/40/1121619340.db2.gz MCRVGULGEPMWLK-UHFFFAOYSA-N -1 0 336.319 3.970 20 0 EHADRM O=S(=O)(Cc1cccc(Cl)c1)[N-]c1cccc2cccnc21 ZINC000242879820 1121759365 /nfs/dbraw/zinc/75/93/65/1121759365.db2.gz GLCYFQLALSPRDD-UHFFFAOYSA-N -1 0 332.812 3.830 20 0 EHADRM O=c1c2cccc3cccc(c23)c1=N[N-]c1ncc(Cl)cc1Cl ZINC000916316960 1122126774 /nfs/dbraw/zinc/12/67/74/1122126774.db2.gz RQPJEPKLULFXIR-UHFFFAOYSA-N -1 0 342.185 3.858 20 0 EHADRM O=S(=O)([N-]c1nc2c(s1)CCCC2)C1=Cc2ccccc2CC1 ZINC000916567562 1122202995 /nfs/dbraw/zinc/20/29/95/1122202995.db2.gz QNKASQGJIQVLJB-UHFFFAOYSA-N -1 0 346.477 3.751 20 0 EHADRM N#C/C(=C/c1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)[O-] ZINC000207917106 1129043083 /nfs/dbraw/zinc/04/30/83/1129043083.db2.gz RYZSJIHUHXKJLK-WQLSENKSSA-N -1 0 326.739 3.584 20 0 EHADRM CCCCCCC(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000916748113 1122345511 /nfs/dbraw/zinc/34/55/11/1122345511.db2.gz BNDZSPQCJTZZAG-UHFFFAOYSA-N -1 0 338.256 3.769 20 0 EHADRM O=C([N-]S(=O)(=O)/C=C/c1ccccc1)c1ccc2ccccc2c1 ZINC000916781857 1122348158 /nfs/dbraw/zinc/34/81/58/1122348158.db2.gz JPCVVTAXZGYXGV-OUKQBFOZSA-N -1 0 337.400 3.570 20 0 EHADRM CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000916815525 1122359089 /nfs/dbraw/zinc/35/90/89/1122359089.db2.gz UCPSONUBJFQODQ-AWEZNQCLSA-N -1 0 337.485 3.587 20 0 EHADRM Cc1ccc(C)c([C@H]2CN(C(=O)c3c([O-])cccc3F)[C@H](C)CO2)c1 ZINC000126536890 1122411787 /nfs/dbraw/zinc/41/17/87/1122411787.db2.gz HKJCWSJTBULUFX-RDTXWAMCSA-N -1 0 343.398 3.750 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nc(C(C)(C)C)co2)sc1Cl ZINC000556176377 1122860429 /nfs/dbraw/zinc/86/04/29/1122860429.db2.gz YQTCKWNSPJTLGX-UHFFFAOYSA-N -1 0 334.850 3.796 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])NC(=O)[C@H]2CCCC(C)(C)C2)c1 ZINC000556219345 1122885054 /nfs/dbraw/zinc/88/50/54/1122885054.db2.gz CSDXQOBMKCOJJP-GOEBONIOSA-N -1 0 333.428 3.544 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cccc(Cl)c2O)c1 ZINC000078002310 1129090343 /nfs/dbraw/zinc/09/03/43/1129090343.db2.gz WPMUJCLDQJGJFD-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM CCOc1ccccc1[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000556351588 1122943312 /nfs/dbraw/zinc/94/33/12/1122943312.db2.gz CARHYNBHKMYAEM-UHFFFAOYSA-N -1 0 347.770 3.818 20 0 EHADRM CC(C)(C)n1cc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cn1 ZINC000065833946 1129096069 /nfs/dbraw/zinc/09/60/69/1129096069.db2.gz JDQNICWNHGEFJI-UHFFFAOYSA-N -1 0 348.255 3.746 20 0 EHADRM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1C(=O)OC ZINC000131660936 1123160231 /nfs/dbraw/zinc/16/02/31/1123160231.db2.gz XFDLXOCQWPDWGU-UHFFFAOYSA-N -1 0 347.436 3.535 20 0 EHADRM CCSCc1cccc([N-]S(=O)(=O)c2cn(C(C)C)cn2)c1 ZINC000132069957 1123199467 /nfs/dbraw/zinc/19/94/67/1123199467.db2.gz PPHUZUUDGVKCQU-UHFFFAOYSA-N -1 0 339.486 3.518 20 0 EHADRM CN(C)c1ccc(NC(=O)c2c([O-])cccc2F)c(C(F)(F)F)c1 ZINC000132388350 1123223210 /nfs/dbraw/zinc/22/32/10/1123223210.db2.gz QXIRZUYPALBNSE-UHFFFAOYSA-N -1 0 342.292 3.868 20 0 EHADRM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2)cc1 ZINC000919962822 1123247879 /nfs/dbraw/zinc/24/78/79/1123247879.db2.gz KGLQUQOAKHSDFR-NSHDSACASA-N -1 0 340.832 3.713 20 0 EHADRM CC(C)c1nc(-c2ccccc2NC(=O)c2c([O-])cccc2F)n[nH]1 ZINC000132745804 1123295409 /nfs/dbraw/zinc/29/54/09/1123295409.db2.gz MKHKJGOTUAGMGP-UHFFFAOYSA-N -1 0 340.358 3.692 20 0 EHADRM CC[C@@H](C)[C@@H](C)C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC000263067139 1123386776 /nfs/dbraw/zinc/38/67/76/1123386776.db2.gz IWTRIOJMMAZUNK-AVRGHOLYSA-N -1 0 337.847 3.649 20 0 EHADRM CCCN(C)c1ccc(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000236771474 1123463402 /nfs/dbraw/zinc/46/34/02/1123463402.db2.gz WLZOFVCGAZCLND-UHFFFAOYSA-N -1 0 326.396 3.792 20 0 EHADRM CCC(CC)(CNC(=O)[C@@H](C)Oc1cccc(C(C)C)c1)C(=O)[O-] ZINC000236855121 1123477226 /nfs/dbraw/zinc/47/72/26/1123477226.db2.gz OOJNDMGIIZAHFQ-CQSZACIVSA-N -1 0 335.444 3.585 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cc(F)ccc2Cl)Cc2ccccc2C1 ZINC000076393220 1123491835 /nfs/dbraw/zinc/49/18/35/1123491835.db2.gz IEXSNHVZAKFLAP-UHFFFAOYSA-N -1 0 347.773 3.678 20 0 EHADRM CC(=O)Nc1ccc(NC(=O)c2c([O-])cc(F)cc2F)cc1Cl ZINC000066043182 1129125578 /nfs/dbraw/zinc/12/55/78/1129125578.db2.gz MFVHAYDCWWEIIW-UHFFFAOYSA-N -1 0 340.713 3.535 20 0 EHADRM Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1c([O-])cc(F)cc1F ZINC000066045969 1129126462 /nfs/dbraw/zinc/12/64/62/1129126462.db2.gz RERMHSPRDSXVFK-UHFFFAOYSA-N -1 0 348.349 3.826 20 0 EHADRM Cc1ccc(C(C)(C)C)cc1S([O-])=CC(=O)NC1CCCCC1 ZINC000609359635 1123562667 /nfs/dbraw/zinc/56/26/67/1123562667.db2.gz AZNUOOJWFVRDPC-HSZRJFAPSA-N -1 0 335.513 3.849 20 0 EHADRM Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc(Cl)s2)c1O ZINC000135091318 1123581428 /nfs/dbraw/zinc/58/14/28/1123581428.db2.gz OFRYRNVCGNKXRE-UHFFFAOYSA-N -1 0 338.237 3.870 20 0 EHADRM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccc(C)cc3C)c2C)o1 ZINC000135402847 1123608925 /nfs/dbraw/zinc/60/89/25/1123608925.db2.gz YWBJNERDFSNWHV-UHFFFAOYSA-N -1 0 345.424 3.704 20 0 EHADRM CCN(CC(C)C)C(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000135788086 1123645655 /nfs/dbraw/zinc/64/56/55/1123645655.db2.gz WMQMOURHKAYTAH-UHFFFAOYSA-N -1 0 334.641 3.926 20 0 EHADRM O=S(=O)([N-]c1ccc2ncccc2c1)c1cccc(Cl)c1F ZINC000135918618 1123653412 /nfs/dbraw/zinc/65/34/12/1123653412.db2.gz RXMLGAZCCDKRAX-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc3ncccc3c2)c(F)cc1F ZINC000135933579 1123654136 /nfs/dbraw/zinc/65/41/36/1123654136.db2.gz RTPCWESWUGLFAI-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM COc1cc(Cl)c(S(=O)(=O)[N-]c2ccccc2O)cc1Cl ZINC000080923545 1123768547 /nfs/dbraw/zinc/76/85/47/1123768547.db2.gz VJZURQSIFWMCDQ-UHFFFAOYSA-N -1 0 348.207 3.508 20 0 EHADRM CC(C)=C[C@H]1[C@H](C(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)C1(C)C ZINC000615280620 1123771105 /nfs/dbraw/zinc/77/11/05/1123771105.db2.gz GUUOTTDKXFGQFY-UONOGXRCSA-N -1 0 325.412 3.959 20 0 EHADRM CSc1ccc(O)c(C(=O)Nc2ccc([C@@H]3CCOC3)cc2)c1 ZINC000615375898 1123787923 /nfs/dbraw/zinc/78/79/23/1123787923.db2.gz PRBDHZHCYHJZEQ-CYBMUJFWSA-N -1 0 329.421 3.870 20 0 EHADRM Cc1cc(/C=C/C(=O)N2CCC[C@@H]2C(=O)[O-])c(C)n1C1CCCCC1 ZINC000237642106 1123799284 /nfs/dbraw/zinc/79/92/84/1123799284.db2.gz GENCLJMFZOZAPL-DOJUMQAQSA-N -1 0 344.455 3.699 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000263325019 1123807763 /nfs/dbraw/zinc/80/77/63/1123807763.db2.gz SOCZKPRVQSWYGS-CYBMUJFWSA-N -1 0 347.411 3.676 20 0 EHADRM Cc1ccc(NC(=O)C2(c3cccc(F)c3)CCC2)cc1C(=O)[O-] ZINC000237663601 1123808028 /nfs/dbraw/zinc/80/80/28/1123808028.db2.gz JPNREWBJOXHWAN-UHFFFAOYSA-N -1 0 327.355 3.893 20 0 EHADRM Cc1ccc(SCC(=O)N[C@H](CC(=O)[O-])c2ccccc2C)cc1 ZINC000237763215 1123849869 /nfs/dbraw/zinc/84/98/69/1123849869.db2.gz UZTUYVGCGPINKK-QGZVFWFLSA-N -1 0 343.448 3.728 20 0 EHADRM Cn1c(C(=O)NCCCCCCCC(=O)[O-])ccc1-c1ccccc1 ZINC000237860685 1123886933 /nfs/dbraw/zinc/88/69/33/1123886933.db2.gz KOIDFSULAREPJV-UHFFFAOYSA-N -1 0 342.439 3.847 20 0 EHADRM Cn1c(Cl)c(Cl)cc1C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000237866819 1123895990 /nfs/dbraw/zinc/89/59/90/1123895990.db2.gz ORKLCOVXLMUMPT-QPJJXVBHSA-N -1 0 339.178 3.682 20 0 EHADRM COc1ccc(CCCN=c2[n-]nc(-c3ccccc3)s2)cc1 ZINC000616001073 1123921708 /nfs/dbraw/zinc/92/17/08/1123921708.db2.gz VDJHNKWIBWCJKM-UHFFFAOYSA-N -1 0 325.437 3.680 20 0 EHADRM CCc1c(C)sc(NC(=O)c2ccc(OC)c(F)c2)c1C(=O)[O-] ZINC000263490240 1123953613 /nfs/dbraw/zinc/95/36/13/1123953613.db2.gz WOOYZECGBNAIKD-UHFFFAOYSA-N -1 0 337.372 3.717 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)CCc2cccc(F)c2F)cc1 ZINC000238147321 1123997035 /nfs/dbraw/zinc/99/70/35/1123997035.db2.gz YJABYHNFAPTGOQ-IZZDOVSWSA-N -1 0 331.318 3.634 20 0 EHADRM N#Cc1ccc([O-])c(NC(=O)CC2CCC(C(F)(F)F)CC2)c1 ZINC000180756621 1124060897 /nfs/dbraw/zinc/06/08/97/1124060897.db2.gz YOPLCIURBORTHW-UHFFFAOYSA-N -1 0 326.318 3.961 20 0 EHADRM CC1(C)CCC[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)C1 ZINC000263547633 1124082646 /nfs/dbraw/zinc/08/26/46/1124082646.db2.gz UTYBIMSDXYSGFG-YESZJQIVSA-N -1 0 329.440 3.530 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N[C@H]1CCCc2sccc21 ZINC000263552086 1124083887 /nfs/dbraw/zinc/08/38/87/1124083887.db2.gz WYFPHKDBZZFISN-HNNXBMFYSA-N -1 0 329.421 3.573 20 0 EHADRM CCCc1ccc(C(=O)CCC(=O)NOCc2ccccc2)cc1 ZINC000069271353 1124610826 /nfs/dbraw/zinc/61/08/26/1124610826.db2.gz PEUBDTJCWCOUCS-UHFFFAOYSA-N -1 0 325.408 3.850 20 0 EHADRM CSc1cc(C([O-])=C(C#N)C(=O)c2c(C)[nH]c3ccccc32)ccn1 ZINC000181395749 1124805865 /nfs/dbraw/zinc/80/58/65/1124805865.db2.gz BDZFQQRZXKEHRS-AWEZNQCLSA-N -1 0 349.415 3.799 20 0 EHADRM CC1(C(=O)[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)CCCC1 ZINC000069579393 1124911988 /nfs/dbraw/zinc/91/19/88/1124911988.db2.gz IOSAGLYAWDITOO-UHFFFAOYSA-N -1 0 335.347 3.931 20 0 EHADRM CC(C)c1ccc([C@H]2CCCN2C(=O)/N=c2\[n-]nc3ccccn32)cc1 ZINC000090480343 1124915725 /nfs/dbraw/zinc/91/57/25/1124915725.db2.gz ONZHXYIOAHYHEK-QGZVFWFLSA-N -1 0 349.438 3.644 20 0 EHADRM Cc1ccc(C[C@@H](C)C(=O)NN=c2[n-]c(C(F)(F)F)cs2)cc1 ZINC000181828318 1125056107 /nfs/dbraw/zinc/05/61/07/1125056107.db2.gz MGDTUINANZDOOO-SNVBAGLBSA-N -1 0 343.374 3.792 20 0 EHADRM CC[C@@H](C)c1cc(=O)n(Cc2cc(OC)ccc2Br)[n-]1 ZINC000634623861 1125276135 /nfs/dbraw/zinc/27/61/35/1125276135.db2.gz QQHXRUFUMYDAGO-SNVBAGLBSA-N -1 0 339.233 3.592 20 0 EHADRM CCCN(Cc1ccccc1F)C(=O)c1s[n-]c(=O)c1Cl ZINC000619129533 1125285713 /nfs/dbraw/zinc/28/57/13/1125285713.db2.gz UXNKAEQJIJOQPT-UHFFFAOYSA-N -1 0 328.796 3.694 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)ccc1O ZINC000182479021 1125314010 /nfs/dbraw/zinc/31/40/10/1125314010.db2.gz HBCICPSBPBZMSU-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM CC(=O)c1cc(F)c([N-]C(=O)c2ncoc2C(C)C)c(F)c1F ZINC000763539886 1125328152 /nfs/dbraw/zinc/32/81/52/1125328152.db2.gz BPGYVRLCOHWNBF-UHFFFAOYSA-N -1 0 326.274 3.670 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2CC(C)(C)[C@@H]2c2ccccc2)s1 ZINC000619284986 1125330161 /nfs/dbraw/zinc/33/01/61/1125330161.db2.gz GERIIOIABVEPHP-AWEZNQCLSA-N -1 0 330.457 3.528 20 0 EHADRM CC(C)c1ccc(CNC(=O)C[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000619886927 1125421285 /nfs/dbraw/zinc/42/12/85/1125421285.db2.gz GYZSQTPWQKDVPM-SFHVURJKSA-N -1 0 325.408 3.685 20 0 EHADRM C[C@@H]1CN(Cc2ccc(Br)cc2Cl)CC[C@@H]1C(=O)[O-] ZINC000311577529 1129228031 /nfs/dbraw/zinc/22/80/31/1129228031.db2.gz SODWUWBSNUAJKC-SKDRFNHKSA-N -1 0 346.652 3.645 20 0 EHADRM CSCc1ccc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000066965955 1129229777 /nfs/dbraw/zinc/22/97/77/1129229777.db2.gz UTNJZKZSAOJTNQ-MRXNPFEDSA-N -1 0 329.421 3.747 20 0 EHADRM CCCN1Cc2cccc(NC(=O)CC3(C(=O)[O-])CCCCC3)c2C1 ZINC000066965847 1129229894 /nfs/dbraw/zinc/22/98/94/1129229894.db2.gz RMNYOHHGUJAOTC-UHFFFAOYSA-N -1 0 344.455 3.776 20 0 EHADRM CC1(C)Cc2cccc(NC(=O)C[C@@H](C(=O)[O-])c3ccccc3)c2O1 ZINC000682697130 1129231592 /nfs/dbraw/zinc/23/15/92/1129231592.db2.gz XVKFOYBZFMRVJI-OAHLLOKOSA-N -1 0 339.391 3.597 20 0 EHADRM COCc1n[n-]c(=N[C@@H](C)[C@@H](C)c2ccccc2C(F)(F)F)s1 ZINC000499660422 1129273295 /nfs/dbraw/zinc/27/32/95/1129273295.db2.gz YIKCGYQTNCHWGP-ZJUUUORDSA-N -1 0 345.390 3.729 20 0 EHADRM CC(=O)c1ccc(S(=O)(=O)[N-]c2nc3c(cccc3C)s2)cc1 ZINC000067744243 1129302413 /nfs/dbraw/zinc/30/24/13/1129302413.db2.gz QJYAYXGJJDVWFR-UHFFFAOYSA-N -1 0 346.433 3.608 20 0 EHADRM C[C@@]1(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)CCc2ccccc2C1 ZINC000079943656 1129309374 /nfs/dbraw/zinc/30/93/74/1129309374.db2.gz BUUNTZCAQUFCCB-HXUWFJFHSA-N -1 0 349.390 3.576 20 0 EHADRM CCn1nc(C)c([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1C ZINC000172904413 1129309563 /nfs/dbraw/zinc/30/95/63/1129309563.db2.gz MNCOEGLONFVZRB-UHFFFAOYSA-N -1 0 348.255 3.627 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)Nc2cc(Cl)cc(Br)c2[O-])CCO1 ZINC000272066697 1129403696 /nfs/dbraw/zinc/40/36/96/1129403696.db2.gz OMHPUYVSVWZVJM-SFYZADRCSA-N -1 0 348.624 3.562 20 0 EHADRM CCCCOc1ccc(CNC(=O)CC(C)(C)C(=O)[O-])cc1Cl ZINC000466423713 1129438143 /nfs/dbraw/zinc/43/81/43/1129438143.db2.gz RXHSOUFYYANGHT-UHFFFAOYSA-N -1 0 341.835 3.636 20 0 EHADRM Cc1ccc2c(c1)N(Cc1nc3c4ccccc4oc3c(=O)[nH]1)CC2 ZINC000123707059 1129546620 /nfs/dbraw/zinc/54/66/20/1129546620.db2.gz WUZXAPBNAFJZCB-UHFFFAOYSA-N -1 0 331.375 3.540 20 0 EHADRM c1cc(-c2nc3ccccc3s2)oc1CN=c1[n-]c(C2CC2)no1 ZINC000347740620 1129671906 /nfs/dbraw/zinc/67/19/06/1129671906.db2.gz HNSFJOXMVOFDGP-UHFFFAOYSA-N -1 0 338.392 3.851 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2cc(C3CC3)nc3ccccc32)cc1 ZINC000347742262 1129676459 /nfs/dbraw/zinc/67/64/59/1129676459.db2.gz SOANBRPXNKAWBX-UHFFFAOYSA-N -1 0 346.386 3.992 20 0 EHADRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cccc(SC)c2)n[nH]1 ZINC000509076119 1129725254 /nfs/dbraw/zinc/72/52/54/1129725254.db2.gz XFSZOHPVMAQVPF-LLVKDONJSA-N -1 0 339.486 3.836 20 0 EHADRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000509104775 1129749985 /nfs/dbraw/zinc/74/99/85/1129749985.db2.gz YRQOTGUEBFEGKD-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccc(Cl)cc1 ZINC000073837605 1129758572 /nfs/dbraw/zinc/75/85/72/1129758572.db2.gz GWXOVRDIRMWXFY-JTQLQIEISA-N -1 0 333.837 3.582 20 0 EHADRM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1c([O-])cc(F)cc1F ZINC000673756049 1129831497 /nfs/dbraw/zinc/83/14/97/1129831497.db2.gz IVMXHPFLBICALN-JSGCOSHPSA-N -1 0 331.362 3.764 20 0 EHADRM CCOc1ccc(CN=c2[n-]nc(C3CCCCC3)o2)cc1OC ZINC000347808608 1129845317 /nfs/dbraw/zinc/84/53/17/1129845317.db2.gz FRSCSWMPBJDHJL-UHFFFAOYSA-N -1 0 331.416 3.559 20 0 EHADRM O=C(Nc1ccc(O)c(Cl)c1)c1csc(Nc2ccccn2)n1 ZINC000509173404 1129911498 /nfs/dbraw/zinc/91/14/98/1129911498.db2.gz QTGSCZFJHPDHFN-UHFFFAOYSA-N -1 0 346.799 3.893 20 0 EHADRM COC(=O)c1cc(Cl)sc1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212512074 1129919464 /nfs/dbraw/zinc/91/94/64/1129919464.db2.gz TZFYYNLIHWAURK-UHFFFAOYSA-N -1 0 347.726 3.908 20 0 EHADRM CC(C)c1cnn2cc(Nc3ccc(C(=O)[O-])c(F)c3F)cnc12 ZINC001212512523 1129921227 /nfs/dbraw/zinc/92/12/27/1129921227.db2.gz PXTNWLOAVNNGGQ-UHFFFAOYSA-N -1 0 332.310 3.573 20 0 EHADRM Cc1noc(-c2ccc(Nc3ccc(C(=O)[O-])c(F)c3F)cc2)n1 ZINC001212514714 1129927151 /nfs/dbraw/zinc/92/71/51/1129927151.db2.gz IWMAPVJAOAKIJT-UHFFFAOYSA-N -1 0 331.278 3.765 20 0 EHADRM c1ccc(CCCc2n[n-]c(=NCc3ccc4ncccc4c3)o2)cc1 ZINC000347881917 1129974501 /nfs/dbraw/zinc/97/45/01/1129974501.db2.gz ALUZNOTZJDQVSI-UHFFFAOYSA-N -1 0 344.418 3.827 20 0 EHADRM C[C@@H](NC(=O)C[C@@H](C(=O)[O-])c1ccccc1)c1c(F)cccc1Cl ZINC000674410883 1130086586 /nfs/dbraw/zinc/08/65/86/1130086586.db2.gz LOFPWNKGSYCNDJ-DGCLKSJQSA-N -1 0 349.789 3.915 20 0 EHADRM Cc1ccc(O)c(NC(=O)c2cc3ccccc3n2CC(F)(F)F)n1 ZINC000429240902 1130219498 /nfs/dbraw/zinc/21/94/98/1130219498.db2.gz KIPRUYMFJLFKAM-UHFFFAOYSA-N -1 0 349.312 3.865 20 0 EHADRM CCC(CC)(CC(=O)NC[C@@H](C)Oc1ccccc1Cl)C(=O)[O-] ZINC000675723971 1130462383 /nfs/dbraw/zinc/46/23/83/1130462383.db2.gz ZCUHYAVCNPWPFT-GFCCVEGCSA-N -1 0 341.835 3.505 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1ccc(CC(C)C)cc1 ZINC000676016892 1130517515 /nfs/dbraw/zinc/51/75/15/1130517515.db2.gz YONLZIBTYUENSF-UHFFFAOYSA-N -1 0 341.407 3.909 20 0 EHADRM O=C([O-])CN(C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)C1CCCCC1 ZINC000675994024 1130517774 /nfs/dbraw/zinc/51/77/74/1130517774.db2.gz VXWBIRMYQWTKFT-VXGBXAGGSA-N -1 0 335.366 3.601 20 0 EHADRM COC[C@H]1CCCN1C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000676165351 1130541300 /nfs/dbraw/zinc/54/13/00/1130541300.db2.gz DENDQSKATGLBTH-OAHLLOKOSA-N -1 0 345.826 3.964 20 0 EHADRM CC(C)[C@@H](NC(=O)c1ccc(Oc2ccccc2Cl)cc1)C(=O)[O-] ZINC000676218998 1130546850 /nfs/dbraw/zinc/54/68/50/1130546850.db2.gz XSVUYSDHOJFLHS-MRXNPFEDSA-N -1 0 347.798 3.971 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)C[C@H](C)CC(C)C)c1C ZINC000727952077 1130612538 /nfs/dbraw/zinc/61/25/38/1130612538.db2.gz SUPFYSNZLOAHDF-GFCCVEGCSA-N -1 0 339.501 3.797 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)C[C@H](CC)C(C)C)cc1 ZINC000729887052 1130652345 /nfs/dbraw/zinc/65/23/45/1130652345.db2.gz PSDLSGVWCYRGMU-HNNXBMFYSA-N -1 0 325.474 3.516 20 0 EHADRM CCC(CC)CS(=O)(=O)[N-]C(=O)/C=C(/C)c1ccccc1Cl ZINC000733060949 1130990527 /nfs/dbraw/zinc/99/05/27/1130990527.db2.gz DVSSTZOOIPNEAS-BENRWUELSA-N -1 0 343.876 3.626 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)c1ccc(-c2ccccc2)cc1 ZINC000733710855 1131073424 /nfs/dbraw/zinc/07/34/24/1131073424.db2.gz DZIFZWBASOYUTB-UHFFFAOYSA-N -1 0 331.437 3.602 20 0 EHADRM O=C(NO[C@H]1CCCCO1)Nc1cccc(Br)c1Cl ZINC000282701238 1131151635 /nfs/dbraw/zinc/15/16/35/1131151635.db2.gz AVHRKHIKWPLXQI-JTQLQIEISA-N -1 0 349.612 3.682 20 0 EHADRM CC[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1ccccc1C ZINC000734079798 1131194170 /nfs/dbraw/zinc/19/41/70/1131194170.db2.gz JELPOZIFZUFIQH-INIZCTEOSA-N -1 0 337.485 3.797 20 0 EHADRM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc2ccccc2c1 ZINC000737356206 1131448507 /nfs/dbraw/zinc/44/85/07/1131448507.db2.gz YCCIKSVUEQSPRX-AWEZNQCLSA-N -1 0 339.416 3.661 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000738124819 1131463121 /nfs/dbraw/zinc/46/31/21/1131463121.db2.gz OTKUKEOMRPNYLW-UQTJOTSZSA-N -1 0 339.391 3.925 20 0 EHADRM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)/C=C\c1ccc(Cl)cc1 ZINC000737348017 1131489916 /nfs/dbraw/zinc/48/99/16/1131489916.db2.gz SYPWPHDXNQKTIP-SUIFULHWSA-N -1 0 349.839 3.560 20 0 EHADRM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCCC1CCCCC1 ZINC000737352286 1131510109 /nfs/dbraw/zinc/51/01/09/1131510109.db2.gz CVPSQUANVSCFDH-HNNXBMFYSA-N -1 0 337.485 3.944 20 0 EHADRM O=C([N-]CC1(c2cccc(C(F)(F)F)c2)CCC1)C(F)(F)F ZINC000742113690 1131688017 /nfs/dbraw/zinc/68/80/17/1131688017.db2.gz XNCDYMKUUQHFCQ-UHFFFAOYSA-N -1 0 325.252 3.806 20 0 EHADRM CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000744003769 1132002942 /nfs/dbraw/zinc/00/29/42/1132002942.db2.gz QRUGJDHEZUXQGC-CQSZACIVSA-N -1 0 325.474 3.715 20 0 EHADRM CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000744071410 1132015313 /nfs/dbraw/zinc/01/53/13/1132015313.db2.gz CPKMVUHFZZBRLE-LLVKDONJSA-N -1 0 349.855 3.891 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1F)C1CCCCCCC1 ZINC000744072524 1132016151 /nfs/dbraw/zinc/01/61/51/1132016151.db2.gz UTGRQGZRVWULSV-UHFFFAOYSA-N -1 0 347.839 3.645 20 0 EHADRM CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1 ZINC000744166863 1132030257 /nfs/dbraw/zinc/03/02/57/1132030257.db2.gz WHDWDLNVFCPSQY-HUUCEWRRSA-N -1 0 325.474 3.800 20 0 EHADRM Cc1cc(S(=O)(=O)[O-])c(Nc2ccc3c(c2)CCO3)cc1Cl ZINC001174010724 1132202976 /nfs/dbraw/zinc/20/29/76/1132202976.db2.gz HRGBUFLNFDCSKO-UHFFFAOYSA-N -1 0 339.800 3.574 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2csc(Br)n2)c1 ZINC001174494340 1132371125 /nfs/dbraw/zinc/37/11/25/1132371125.db2.gz COSUDEBNRNISJJ-SNAWJCMRSA-N -1 0 325.187 3.747 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2ccc(C(=O)N3CCCC3)cc2)c1 ZINC001174496802 1132371667 /nfs/dbraw/zinc/37/16/67/1132371667.db2.gz SVMHJGBHQUWAQN-IZZDOVSWSA-N -1 0 336.391 3.764 20 0 EHADRM COC(=O)c1cccc2c(Nc3cccc(/C=C/C(=O)[O-])c3)ccnc12 ZINC001174495661 1132372202 /nfs/dbraw/zinc/37/22/02/1132372202.db2.gz UICOEWXURPJVLM-CMDGGOBGSA-N -1 0 348.358 3.863 20 0 EHADRM Cc1cc(F)cc(Nc2ccc3c(O)cc(S(=O)(=O)[O-])cc3c2)c1 ZINC001174531429 1132384882 /nfs/dbraw/zinc/38/48/82/1132384882.db2.gz QNAIHWWQYIJKIB-UHFFFAOYSA-N -1 0 347.367 3.983 20 0 EHADRM Cc1ccc2c(c1C)OC[C@@H]2NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000746212271 1132393379 /nfs/dbraw/zinc/39/33/79/1132393379.db2.gz GLEXDDPPBGZNHT-AWEZNQCLSA-N -1 0 340.404 3.597 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc(Br)nc1C ZINC001174670097 1132432439 /nfs/dbraw/zinc/43/24/39/1132432439.db2.gz HEKTYIQYCQMNCS-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM COC(=O)c1c(Cl)cccc1Nc1ccc(C(=O)[O-])cc1OC ZINC001174675549 1132432737 /nfs/dbraw/zinc/43/27/37/1132432737.db2.gz OKYJDYIKWVGEEV-UHFFFAOYSA-N -1 0 335.743 3.577 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cc(C)cc(Br)n1 ZINC001174673532 1132433074 /nfs/dbraw/zinc/43/30/74/1132433074.db2.gz HZMIAZMNMYIDFL-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ccccc1C(=O)NC(C)(C)C ZINC001174677916 1132433703 /nfs/dbraw/zinc/43/37/03/1132433703.db2.gz UYVXZOHLDKMWEP-UHFFFAOYSA-N -1 0 342.395 3.665 20 0 EHADRM CCOc1ccc(Nc2ccc(C(=O)[O-])cc2OC)cc1OCC ZINC001174676502 1132434206 /nfs/dbraw/zinc/43/42/06/1132434206.db2.gz LBDXDUWTHUNAEN-UHFFFAOYSA-N -1 0 331.368 3.934 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc(O)c(Br)c1 ZINC001174676935 1132434263 /nfs/dbraw/zinc/43/42/63/1132434263.db2.gz DDUSFIJSQGXFMV-UHFFFAOYSA-N -1 0 338.157 3.605 20 0 EHADRM COC(=O)c1cccc(Nc2ccc(C(=O)[O-])cc2OC)c1Cl ZINC001174679874 1132434881 /nfs/dbraw/zinc/43/48/81/1132434881.db2.gz IZMHCPNMHWZFLJ-UHFFFAOYSA-N -1 0 335.743 3.577 20 0 EHADRM CCCOC(=O)c1ccc(Nc2ccc(C(=O)[O-])c(OC)c2)cc1 ZINC001174687324 1132436706 /nfs/dbraw/zinc/43/67/06/1132436706.db2.gz SQYBBRUFDXHQAX-UHFFFAOYSA-N -1 0 329.352 3.704 20 0 EHADRM COc1c(F)ccc(F)c1Nc1ccc(Cl)cc1S(=O)(=O)[O-] ZINC001174663926 1132443003 /nfs/dbraw/zinc/44/30/03/1132443003.db2.gz SCEHTJYFIXYCAC-UHFFFAOYSA-N -1 0 349.742 3.617 20 0 EHADRM CCCc1ccc(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)cc1 ZINC000746327328 1132448904 /nfs/dbraw/zinc/44/89/04/1132448904.db2.gz YXCUJGOVIPGGLL-UHFFFAOYSA-N -1 0 336.391 3.931 20 0 EHADRM Cc1cc(Nc2ccc(CC(=O)[O-])cc2)nc(C)c1Br ZINC001174949958 1132515708 /nfs/dbraw/zinc/51/57/08/1132515708.db2.gz QPOQNYABFFEJAT-UHFFFAOYSA-N -1 0 335.201 3.832 20 0 EHADRM Cc1ccc(CCC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1Cl ZINC000390575597 1132515964 /nfs/dbraw/zinc/51/59/64/1132515964.db2.gz CZCPBGXVEOXCLM-OAHLLOKOSA-N -1 0 337.847 3.827 20 0 EHADRM CCOC(=O)c1c(C)c(C)sc1Nc1ccc(CC(=O)[O-])cc1 ZINC001174950448 1132516922 /nfs/dbraw/zinc/51/69/22/1132516922.db2.gz XMGMBILIDPIFLL-UHFFFAOYSA-N -1 0 333.409 3.912 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1ncc(Br)cc1F ZINC001174981536 1132534296 /nfs/dbraw/zinc/53/42/96/1132534296.db2.gz MDXZQPQLFNOZOX-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM CCOC(=O)c1ncc(Cl)cc1Nc1cc(C(=O)[O-])ccc1C ZINC001174984244 1132535074 /nfs/dbraw/zinc/53/50/74/1132535074.db2.gz WKAHRDKTZVUJJK-UHFFFAOYSA-N -1 0 334.759 3.662 20 0 EHADRM CCOC(=O)c1ccc(NC)c(Nc2cc(C(=O)[O-])ccc2C)c1 ZINC001174982380 1132535423 /nfs/dbraw/zinc/53/54/23/1132535423.db2.gz MVYZSEPYLCVJPT-UHFFFAOYSA-N -1 0 328.368 3.655 20 0 EHADRM COc1ccc(Nc2c(C)cc(C)cc2S(=O)(=O)[O-])c(F)c1F ZINC001175028567 1132542054 /nfs/dbraw/zinc/54/20/54/1132542054.db2.gz VRFHKZFUJTWBAB-UHFFFAOYSA-N -1 0 343.351 3.581 20 0 EHADRM Cc1ccc(N)cc1S(=O)(=O)[N-]c1ccc(F)cc1C(F)(F)F ZINC001175101174 1132552696 /nfs/dbraw/zinc/55/26/96/1132552696.db2.gz UVBFFNYEGKXOTL-UHFFFAOYSA-N -1 0 348.321 3.536 20 0 EHADRM O=S(=O)([O-])c1ccc(Cl)c(Nc2cc(F)c(F)cc2F)c1 ZINC001175090784 1132564688 /nfs/dbraw/zinc/56/46/88/1132564688.db2.gz CZXJITMCAAPPJM-UHFFFAOYSA-N -1 0 337.706 3.748 20 0 EHADRM COc1ccc(-c2cc(Nc3ccc(C(=O)[O-])c(F)c3)on2)cc1 ZINC001175155268 1132568715 /nfs/dbraw/zinc/56/87/15/1132568715.db2.gz OAERUDBHOGQHEE-UHFFFAOYSA-N -1 0 328.299 3.931 20 0 EHADRM Cc1ccc(-c2cc(Nc3ccc(C(=O)[O-])c(F)c3)n(C)n2)cc1 ZINC001175157206 1132569560 /nfs/dbraw/zinc/56/95/60/1132569560.db2.gz CAABRQHVZDEPSO-UHFFFAOYSA-N -1 0 325.343 3.976 20 0 EHADRM O=S(=O)([O-])c1cccc(Nc2cccc(C(F)(F)F)c2F)c1 ZINC001175134122 1132576799 /nfs/dbraw/zinc/57/67/99/1132576799.db2.gz JVSMPCBOYMUBLJ-UHFFFAOYSA-N -1 0 335.278 3.835 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2cccc(C(F)(F)F)c2F)cc1 ZINC001175137791 1132578393 /nfs/dbraw/zinc/57/83/93/1132578393.db2.gz SEYQAJDVGCXTAZ-UHFFFAOYSA-N -1 0 335.278 3.835 20 0 EHADRM O=C(COc1ccccc1OCc1ccccc1)[N-]Oc1ccccc1 ZINC000773468517 1132590553 /nfs/dbraw/zinc/59/05/53/1132590553.db2.gz QVIKFOFPTQGIFO-UHFFFAOYSA-N -1 0 349.386 3.755 20 0 EHADRM O=C(CCc1cc(F)ccc1Br)NOc1ccccc1 ZINC000773472578 1132594207 /nfs/dbraw/zinc/59/42/07/1132594207.db2.gz XIYRUUAYJJMEMV-UHFFFAOYSA-N -1 0 338.176 3.631 20 0 EHADRM Nc1cc(Br)cc(F)c1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175219633 1132598245 /nfs/dbraw/zinc/59/82/45/1132598245.db2.gz BRSNXDCZNIGEFW-UHFFFAOYSA-N -1 0 343.127 3.751 20 0 EHADRM COc1cc(Nc2ccc(F)c(C(=O)[O-])c2)ccc1N1CCCC1 ZINC001175220829 1132599122 /nfs/dbraw/zinc/59/91/22/1132599122.db2.gz CEDJVTGWBDROKQ-UHFFFAOYSA-N -1 0 330.359 3.876 20 0 EHADRM Nc1cccc2c(Br)cn(-c3ccc(F)c(C(=O)[O-])c3)c21 ZINC001175222475 1132599455 /nfs/dbraw/zinc/59/94/55/1132599455.db2.gz ZATWLNCKOXQPDM-UHFFFAOYSA-N -1 0 349.159 3.813 20 0 EHADRM Nc1cc2c(ccn2-c2ccc(F)c(C(=O)[O-])c2)c(Br)c1 ZINC001175222583 1132599632 /nfs/dbraw/zinc/59/96/32/1132599632.db2.gz XGWMWSTXLBNZQY-UHFFFAOYSA-N -1 0 349.159 3.813 20 0 EHADRM CCOc1cccc(Nc2c(C)cc(C)cc2S(=O)(=O)[O-])c1F ZINC001175238761 1132605397 /nfs/dbraw/zinc/60/53/97/1132605397.db2.gz GYMNTRDHYXCDLB-UHFFFAOYSA-N -1 0 339.388 3.832 20 0 EHADRM COCCOc1c(F)cccc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175321524 1132638277 /nfs/dbraw/zinc/63/82/77/1132638277.db2.gz UURPXMWBZLBEHN-UHFFFAOYSA-N -1 0 339.750 3.946 20 0 EHADRM Cc1n[nH]c(C(=O)N[C@H]2CCC(C)(C)C[C@H]2c2ccccc2)c1[O-] ZINC001175329879 1132640155 /nfs/dbraw/zinc/64/01/55/1132640155.db2.gz MZVXLENTNDGZIX-GJZGRUSLSA-N -1 0 327.428 3.516 20 0 EHADRM COC(=O)c1cc(Nc2cccc(C(=O)[O-])c2)cc(C(F)(F)F)c1 ZINC001175332416 1132640850 /nfs/dbraw/zinc/64/08/50/1132640850.db2.gz RTWGKFBNEBKLQU-UHFFFAOYSA-N -1 0 339.269 3.934 20 0 EHADRM O=C([O-])c1cncc(Nc2cc3ccc(Br)cc3cn2)c1 ZINC001175837410 1132771949 /nfs/dbraw/zinc/77/19/49/1132771949.db2.gz DAGSLKGEEFCMSD-UHFFFAOYSA-N -1 0 344.168 3.834 20 0 EHADRM O=C([O-])c1cncc(Nc2c(F)cc(F)c(F)c2Br)c1 ZINC001175841989 1132772808 /nfs/dbraw/zinc/77/28/08/1132772808.db2.gz JDZJWDXDAUZANE-UHFFFAOYSA-N -1 0 347.090 3.703 20 0 EHADRM O=c1[n-]cnc(Nc2ccc(-c3cccnc3)cc2)c1Br ZINC001175888123 1132782277 /nfs/dbraw/zinc/78/22/77/1132782277.db2.gz RNPSSKJCNYSFJW-UHFFFAOYSA-N -1 0 343.184 3.750 20 0 EHADRM O=c1[n-]cnc(Nc2ccc(-c3ccccn3)cc2)c1Br ZINC001176040310 1132826930 /nfs/dbraw/zinc/82/69/30/1132826930.db2.gz WLLSWWGVLHLWGY-UHFFFAOYSA-N -1 0 343.184 3.750 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1 ZINC000766836466 1132859369 /nfs/dbraw/zinc/85/93/69/1132859369.db2.gz OZYCKSCHGXOVOU-LUAWRHEFSA-N -1 0 347.411 3.891 20 0 EHADRM COc1ccc(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)cc1O ZINC001176259099 1132896833 /nfs/dbraw/zinc/89/68/33/1132896833.db2.gz YPCIWZYADTYOSB-UHFFFAOYSA-N -1 0 345.376 3.544 20 0 EHADRM O=C([O-])c1cc(Nc2nccnc2OCc2ccccc2)cs1 ZINC001176437504 1132928691 /nfs/dbraw/zinc/92/86/91/1132928691.db2.gz WTZYLTJHQRLPFH-UHFFFAOYSA-N -1 0 327.365 3.559 20 0 EHADRM O=S(=O)([O-])c1ccc2ccc(Nc3ccc(O)cc3F)cc2c1 ZINC001176413307 1132933415 /nfs/dbraw/zinc/93/34/15/1132933415.db2.gz HGOBDXMYZFLJCL-UHFFFAOYSA-N -1 0 333.340 3.675 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)/C=C\c1cccc(OC2CCCC2)c1 ZINC000767052866 1132943191 /nfs/dbraw/zinc/94/31/91/1132943191.db2.gz UKCMAPAXOKHBMU-ZCPJJFRWSA-N -1 0 345.439 3.781 20 0 EHADRM COc1ccc(CCCC(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)cc1 ZINC000767089701 1132947999 /nfs/dbraw/zinc/94/79/99/1132947999.db2.gz DLIDJONUCICHFD-ZROIWOOFSA-N -1 0 339.391 3.754 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3cncc(N4CCCCC4)c3)cc2)CC1 ZINC001176586728 1132960842 /nfs/dbraw/zinc/96/08/42/1132960842.db2.gz MNNWZHDZHQRDBY-UHFFFAOYSA-N -1 0 337.423 3.932 20 0 EHADRM Nc1c(-c2cccc(Cl)c2)cnn1-c1ccc(/C=C/C(=O)[O-])cc1 ZINC001176591012 1132962563 /nfs/dbraw/zinc/96/25/63/1132962563.db2.gz COWUBMIOGCELBG-RMKNXTFCSA-N -1 0 339.782 3.873 20 0 EHADRM Cc1cc(Br)nc(Nc2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC001176590197 1132962629 /nfs/dbraw/zinc/96/26/29/1132962629.db2.gz UIKHNAKJAXBZBW-QPJJXVBHSA-N -1 0 333.185 3.994 20 0 EHADRM Cc1ncc(Nc2ccc(/C=C/C(=O)[O-])cc2)cc1Br ZINC001176591053 1132962875 /nfs/dbraw/zinc/96/28/75/1132962875.db2.gz DNQMFTXMNPIEPC-QPJJXVBHSA-N -1 0 333.185 3.994 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2ccc(Br)cc2O)cc1 ZINC001176592937 1132963196 /nfs/dbraw/zinc/96/31/96/1132963196.db2.gz QTNSBTNLLFKBOT-FPYGCLRLSA-N -1 0 334.169 3.996 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2nc(F)c(F)c(Cl)c2F)cc1 ZINC001176592191 1132963259 /nfs/dbraw/zinc/96/32/59/1132963259.db2.gz AUFBYUNPEZBIJF-ZZXKWVIFSA-N -1 0 328.677 3.994 20 0 EHADRM Cc1cnc(Br)c(Nc2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC001176591983 1132963775 /nfs/dbraw/zinc/96/37/75/1132963775.db2.gz RQVFINMHMOTNOS-QPJJXVBHSA-N -1 0 333.185 3.994 20 0 EHADRM COC(=O)c1cc(F)c(Nc2ccc(/C=C/C(=O)[O-])cc2)c(C)c1F ZINC001176597921 1132976391 /nfs/dbraw/zinc/97/63/91/1132976391.db2.gz YLAAVDCLYFOLAV-VMPITWQZSA-N -1 0 347.317 3.901 20 0 EHADRM CCOC(=O)c1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)cc1F ZINC001176597502 1132976426 /nfs/dbraw/zinc/97/64/26/1132976426.db2.gz RMOFNNQLHSHBMJ-BJMVGYQFSA-N -1 0 329.327 3.844 20 0 EHADRM CCOC(=O)c1cnc2cccc(Nc3ccc(C(=O)[O-])cc3)c2c1 ZINC001176713481 1132994992 /nfs/dbraw/zinc/99/49/92/1132994992.db2.gz HDJGICABPFIFKW-UHFFFAOYSA-N -1 0 336.347 3.853 20 0 EHADRM COC(=O)c1cc(Nc2ccc(C(=O)[O-])cc2)cc(C(F)(F)F)c1 ZINC001176712485 1132995120 /nfs/dbraw/zinc/99/51/20/1132995120.db2.gz BTBFDCUBQYSSHV-UHFFFAOYSA-N -1 0 339.269 3.934 20 0 EHADRM Nc1cn(-c2ccc(C(=O)[O-])cc2)c2ccc(Br)cc12 ZINC001176710565 1132995319 /nfs/dbraw/zinc/99/53/19/1132995319.db2.gz LLMZOJIBEXKBRE-UHFFFAOYSA-N -1 0 331.169 3.673 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(OC3CCOCC3)c(F)c2)cc1 ZINC001176715547 1132995983 /nfs/dbraw/zinc/99/59/83/1132995983.db2.gz PABTYXZTVSNAEL-UHFFFAOYSA-N -1 0 331.343 3.825 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)[C@H]1CCCC(C)(C)C1 ZINC000767560083 1133015169 /nfs/dbraw/zinc/01/51/69/1133015169.db2.gz CUSHHHCMAXGKIN-LBPRGKRZSA-N -1 0 343.876 3.670 20 0 EHADRM O=C(Cc1csc(-c2ccccc2)n1)[N-]Oc1ccccc1F ZINC001177104778 1133031045 /nfs/dbraw/zinc/03/10/45/1133031045.db2.gz CCWIFKQFRAEHHC-UHFFFAOYSA-N -1 0 328.368 3.602 20 0 EHADRM Cc1cnc(CNC(=O)c2cc(Cl)cc(Cl)c2[O-])c(C)c1 ZINC001177378255 1133058233 /nfs/dbraw/zinc/05/82/33/1133058233.db2.gz ZBPBVGOAZDONSL-UHFFFAOYSA-N -1 0 325.195 3.641 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)sc2c1)C1(c2ccc(F)cn2)CC1 ZINC001178079663 1133133797 /nfs/dbraw/zinc/13/37/97/1133133797.db2.gz LIKOVIGYZZFJQP-UHFFFAOYSA-N -1 0 345.424 3.789 20 0 EHADRM CCc1ncsc1[N-]S(=O)(=O)/C=C/c1cccc(Cl)c1 ZINC000768889034 1133197116 /nfs/dbraw/zinc/19/71/16/1133197116.db2.gz MXLLDOGUHGIIFD-VOTSOKGWSA-N -1 0 328.846 3.772 20 0 EHADRM Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1c([O-])cccc1Cl ZINC000769717739 1133334394 /nfs/dbraw/zinc/33/43/94/1133334394.db2.gz ZOXKJPJQCRIRQW-UHFFFAOYSA-N -1 0 346.814 3.745 20 0 EHADRM CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1c([O-])cccc1Cl ZINC000769747790 1133342528 /nfs/dbraw/zinc/34/25/28/1133342528.db2.gz YMBWVWOQHKPMHW-UHFFFAOYSA-N -1 0 340.713 3.535 20 0 EHADRM COc1ccc(Cc2noc(-c3cccc(Cl)c3[O-])n2)c(F)c1 ZINC000771351951 1133544542 /nfs/dbraw/zinc/54/45/42/1133544542.db2.gz BNXGQSVJVIHBTM-UHFFFAOYSA-N -1 0 334.734 3.834 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)C2=CCCCCC2)s1 ZINC000774237482 1133639557 /nfs/dbraw/zinc/63/95/57/1133639557.db2.gz XKXZHLNWLZTBOK-UHFFFAOYSA-N -1 0 341.498 3.741 20 0 EHADRM CC(C)[C@H]1OCCC[C@@H]1CNC(=O)c1c([O-])cc(Cl)cc1Cl ZINC001182851799 1133742992 /nfs/dbraw/zinc/74/29/92/1133742992.db2.gz CSQDMYJMHIJNNZ-MEBBXXQBSA-N -1 0 346.254 3.880 20 0 EHADRM O=C(Cc1ccc([S-])cc1)NCC1(CC2CCC2)CCOCC1 ZINC001183191720 1133777541 /nfs/dbraw/zinc/77/75/41/1133777541.db2.gz FEVRJHUIUODTSW-UHFFFAOYSA-N -1 0 333.497 3.621 20 0 EHADRM CCCC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000786259764 1133819865 /nfs/dbraw/zinc/81/98/65/1133819865.db2.gz VOBDYFUXLNWRMW-UHFFFAOYSA-N -1 0 333.453 3.861 20 0 EHADRM CCCC(C)(C)CC(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000786366388 1133841811 /nfs/dbraw/zinc/84/18/11/1133841811.db2.gz IHFWLMQMBZPETL-UHFFFAOYSA-N -1 0 335.469 3.636 20 0 EHADRM CCc1ncsc1[N-]S(=O)(=O)/C=C\c1ccccc1Cl ZINC000746598142 1133881778 /nfs/dbraw/zinc/88/17/78/1133881778.db2.gz RTANJCQOLCSPLF-FPLPWBNLSA-N -1 0 328.846 3.772 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]C(=O)C[C@H](CC)c1ccccc1 ZINC000786663799 1133882954 /nfs/dbraw/zinc/88/29/54/1133882954.db2.gz XDBBCIKPFDMGNZ-INIZCTEOSA-N -1 0 345.464 3.638 20 0 EHADRM O=C(Nc1ccc2[nH]c(-c3ccncc3)nc2c1)c1cccc(F)c1[O-] ZINC001184225918 1133912182 /nfs/dbraw/zinc/91/21/82/1133912182.db2.gz IGFIRYRVKGRLAP-UHFFFAOYSA-N -1 0 348.337 3.722 20 0 EHADRM Cc1cccc(Cl)c1NC(=O)Nc1ccc(S(=O)(=O)[O-])cc1 ZINC001184537469 1133951111 /nfs/dbraw/zinc/95/11/11/1133951111.db2.gz KTJCSRFFHMEONT-UHFFFAOYSA-N -1 0 340.788 3.539 20 0 EHADRM Cc1cc2ccccc2cc1[N-]S(=O)(=O)c1cccnc1Cl ZINC001184879755 1134001754 /nfs/dbraw/zinc/00/17/54/1134001754.db2.gz ANPIDNMZWMQKGT-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM O=S(=O)([N-]c1ccc2cc(F)ccc2c1)c1cccnc1Cl ZINC001184878465 1134002070 /nfs/dbraw/zinc/00/20/70/1134002070.db2.gz MUASNKMRFTUIKA-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccsc2)snc1-c1ccccc1 ZINC001185352721 1134070272 /nfs/dbraw/zinc/07/02/72/1134070272.db2.gz TYTFYHSBBGDSSB-UHFFFAOYSA-N -1 0 336.463 3.981 20 0 EHADRM O=C(CCc1ccc(Br)cc1F)NOC1CCCC1 ZINC000774867344 1134077412 /nfs/dbraw/zinc/07/74/12/1134077412.db2.gz JXBDKNPQEDKSHH-UHFFFAOYSA-N -1 0 330.197 3.511 20 0 EHADRM O=S(=O)([N-]c1ncnc2sccc21)c1cc2ccccc2s1 ZINC001185426207 1134083814 /nfs/dbraw/zinc/08/38/14/1134083814.db2.gz LPPXFMUJPRITFU-UHFFFAOYSA-N -1 0 347.446 3.707 20 0 EHADRM O=S(=O)([N-]c1cccnc1C1CC1)c1cc2ccccc2s1 ZINC001185428660 1134084395 /nfs/dbraw/zinc/08/43/95/1134084395.db2.gz CJXLTNDBUXQPOS-UHFFFAOYSA-N -1 0 330.434 3.975 20 0 EHADRM CC(=O)c1cccc(O)c1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185463072 1134091841 /nfs/dbraw/zinc/09/18/41/1134091841.db2.gz UTRLMIIOAMLBLQ-UHFFFAOYSA-N -1 0 347.417 3.610 20 0 EHADRM O=S(=O)([N-]c1cccc2c1CCO2)c1cc2ccccc2s1 ZINC001185462673 1134092123 /nfs/dbraw/zinc/09/21/23/1134092123.db2.gz KEMYNYGJZIHKHU-UHFFFAOYSA-N -1 0 331.418 3.637 20 0 EHADRM CCCCC[C@H](NC(=O)Nc1cccc(Br)c1)C(=O)[O-] ZINC000788318062 1134112952 /nfs/dbraw/zinc/11/29/52/1134112952.db2.gz MJMNDYDLZWXYAJ-LBPRGKRZSA-N -1 0 343.221 3.604 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccco2)cc1)c1ccc(Cl)nc1 ZINC001185680308 1134124355 /nfs/dbraw/zinc/12/43/55/1134124355.db2.gz SSNDVRZGIYJGKJ-UHFFFAOYSA-N -1 0 334.784 3.796 20 0 EHADRM O=C(C[C@H](O)c1ccccc1)Nc1ccc2[n-]c(=S)sc2c1 ZINC001185798739 1134134893 /nfs/dbraw/zinc/13/48/93/1134134893.db2.gz LYTQDTMHVXERNO-ZDUSSCGKSA-N -1 0 330.434 3.647 20 0 EHADRM Cc1cn(-c2ccc(NC(=O)c3cccc([S-])c3)cc2F)cn1 ZINC001186152221 1134176256 /nfs/dbraw/zinc/17/62/56/1134176256.db2.gz HWUIZNONSPWEQB-UHFFFAOYSA-N -1 0 327.384 3.861 20 0 EHADRM C[C@H](O)c1cccc([N-]S(=O)(=O)c2csc3ccccc32)c1 ZINC001186442118 1134213582 /nfs/dbraw/zinc/21/35/82/1134213582.db2.gz VNBFDHYEZVANQT-NSHDSACASA-N -1 0 333.434 3.755 20 0 EHADRM O=C([O-])c1ccnc(/C=C\c2cnn(Cc3ccccc3)c2Cl)c1 ZINC000789148544 1134229939 /nfs/dbraw/zinc/22/99/39/1134229939.db2.gz RBVHHFSWXGKGRD-SREVYHEPSA-N -1 0 339.782 3.848 20 0 EHADRM O=S(=O)([N-]c1cnsc1)c1ccc(OCc2ccccc2)cc1 ZINC001186634923 1134241335 /nfs/dbraw/zinc/24/13/35/1134241335.db2.gz ITRQPQYRIHNHHT-UHFFFAOYSA-N -1 0 346.433 3.523 20 0 EHADRM O=C([O-])c1nnc(-c2ccc(Cl)nc2Cl)cc1C(F)(F)F ZINC001243082851 1134268142 /nfs/dbraw/zinc/26/81/42/1134268142.db2.gz CTRZDISBQWJOID-UHFFFAOYSA-N -1 0 338.072 3.562 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)c(OC(F)(F)F)c1)c1ccco1 ZINC001186855730 1134269334 /nfs/dbraw/zinc/26/93/34/1134269334.db2.gz BVFXRJLWPMOFLB-UHFFFAOYSA-N -1 0 341.694 3.632 20 0 EHADRM CCCCC[C@@H](NS(=O)(=O)c1cnc(CC)s1)C(C)(C)C ZINC001186922026 1134275238 /nfs/dbraw/zinc/27/52/38/1134275238.db2.gz SJHAKEPTRHUWFU-GFCCVEGCSA-N -1 0 332.535 3.979 20 0 EHADRM O=C(N[C@@H](c1ccccc1)C1CCCC1)c1ccccc1-c1nn[nH]n1 ZINC001187008757 1134281606 /nfs/dbraw/zinc/28/16/06/1134281606.db2.gz QJFZNYAOAZPBHN-SFHVURJKSA-N -1 0 347.422 3.528 20 0 EHADRM O=C(NCCC(F)(F)F)Nc1ccc(Br)cc1[S-] ZINC001187014402 1134282171 /nfs/dbraw/zinc/28/21/71/1134282171.db2.gz VPDFPKWDMTUGQB-UHFFFAOYSA-N -1 0 343.168 3.812 20 0 EHADRM CC(=O)c1ccc2nc([N-]S(=O)(=O)c3cccc(C)c3)sc2c1 ZINC000775089110 1134304370 /nfs/dbraw/zinc/30/43/70/1134304370.db2.gz JFPLZOFKOSJGPX-UHFFFAOYSA-N -1 0 346.433 3.608 20 0 EHADRM COc1cc(F)ccc1[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187210089 1134314714 /nfs/dbraw/zinc/31/47/14/1134314714.db2.gz QYKFYTBHABJYIW-UHFFFAOYSA-N -1 0 341.429 3.575 20 0 EHADRM Cc1oncc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1Cl ZINC001187380009 1134329438 /nfs/dbraw/zinc/32/94/38/1134329438.db2.gz SNHHHFYTPHEZCO-UHFFFAOYSA-N -1 0 341.603 3.744 20 0 EHADRM Cc1cc(C)cc(-n2ncc(CNc3cccc(C(=O)[O-])c3C)n2)c1 ZINC000789897440 1134347079 /nfs/dbraw/zinc/34/70/79/1134347079.db2.gz JYYNPHSCSQSTJY-UHFFFAOYSA-N -1 0 336.395 3.503 20 0 EHADRM O=S(=O)([N-]c1cccc2ocnc21)c1ccc2c(c1)CCCC2 ZINC000790005807 1134358191 /nfs/dbraw/zinc/35/81/91/1134358191.db2.gz WNLNWIWPAUFGOI-UHFFFAOYSA-N -1 0 328.393 3.507 20 0 EHADRM CCCn1cc([N-]S(=O)(=O)c2cc(C(C)C)ccc2Cl)cn1 ZINC000790068923 1134362862 /nfs/dbraw/zinc/36/28/62/1134362862.db2.gz QLPUZPNLGZSHGI-UHFFFAOYSA-N -1 0 341.864 3.871 20 0 EHADRM Cc1c(Cl)cc(NC(=O)C2(C(=O)C3CC3)CC2)c([O-])c1Cl ZINC001187651809 1134367818 /nfs/dbraw/zinc/36/78/18/1134367818.db2.gz SVGKFZAORKKLSN-UHFFFAOYSA-N -1 0 328.195 3.705 20 0 EHADRM COc1ccc(Cl)cc1NC(=O)Nc1ncc(O)cc1Cl ZINC001187910422 1134395961 /nfs/dbraw/zinc/39/59/61/1134395961.db2.gz MZTVZXKMMKQCCG-UHFFFAOYSA-N -1 0 328.155 3.747 20 0 EHADRM CC(C)c1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)n1 ZINC001187929178 1134401929 /nfs/dbraw/zinc/40/19/29/1134401929.db2.gz OXFPTTPVBATSPD-UHFFFAOYSA-N -1 0 346.239 3.708 20 0 EHADRM Cc1sc([N-]S(=O)(=O)C2CCC2)c(C(=O)c2ccccc2)c1C ZINC001188105285 1134423041 /nfs/dbraw/zinc/42/30/41/1134423041.db2.gz UJPSHMNHRDOVPW-UHFFFAOYSA-N -1 0 349.477 3.890 20 0 EHADRM Cc1c(C)c([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)ccc1F ZINC001188076777 1134423920 /nfs/dbraw/zinc/42/39/20/1134423920.db2.gz MBJOXVLLBSPRAJ-UHFFFAOYSA-N -1 0 349.214 3.945 20 0 EHADRM CC(=O)c1ccsc1NC(=O)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188572378 1134476420 /nfs/dbraw/zinc/47/64/20/1134476420.db2.gz QHKALJUNJPDBMZ-UHFFFAOYSA-N -1 0 329.299 3.927 20 0 EHADRM CCC(C)(C)c1ccc(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)cc1 ZINC000791114323 1134509576 /nfs/dbraw/zinc/50/95/76/1134509576.db2.gz JQGNWNZFLJDNQY-UHFFFAOYSA-N -1 0 344.377 3.770 20 0 EHADRM Cc1sc([N-]S(=O)(=O)CC2CC2)c(C(=O)c2ccccc2)c1C ZINC001188930688 1134521759 /nfs/dbraw/zinc/52/17/59/1134521759.db2.gz OMAAZKHRWGYRJG-UHFFFAOYSA-N -1 0 349.477 3.748 20 0 EHADRM O=C([N-]c1c(F)cc(F)cc1F)c1nc(Br)ccc1F ZINC000791614838 1134576554 /nfs/dbraw/zinc/57/65/54/1134576554.db2.gz KIHHDGWHPPCDTK-UHFFFAOYSA-N -1 0 349.081 3.653 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)nc1)c1ccc(F)c2ccccc21 ZINC001189354750 1134579678 /nfs/dbraw/zinc/57/96/78/1134579678.db2.gz AKTGZAGBUYOHFR-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM CC(C)Cn1cnc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)c1 ZINC001189363058 1134581272 /nfs/dbraw/zinc/58/12/72/1134581272.db2.gz HWGYVTLDCOQLRJ-UHFFFAOYSA-N -1 0 347.415 3.632 20 0 EHADRM O=S(=O)([N-]c1cnc2occc2c1)c1ccc(F)c2ccccc21 ZINC001189362425 1134581669 /nfs/dbraw/zinc/58/16/69/1134581669.db2.gz CCDKHFKKPJKSOD-UHFFFAOYSA-N -1 0 342.351 3.921 20 0 EHADRM O=S(=O)(Cc1cccc(F)c1F)Nc1ccc2ncsc2c1 ZINC001189417491 1134585105 /nfs/dbraw/zinc/58/51/05/1134585105.db2.gz PLNBLTMSHITYAS-UHFFFAOYSA-N -1 0 340.376 3.516 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc3ccccc3cn2)c1 ZINC001189577754 1134602852 /nfs/dbraw/zinc/60/28/52/1134602852.db2.gz VXIHWYVBZGMTOL-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000775297992 1134616695 /nfs/dbraw/zinc/61/66/95/1134616695.db2.gz YUCZKDMFGDGWHG-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1c(C)cccc1F ZINC000775296665 1134617457 /nfs/dbraw/zinc/61/74/57/1134617457.db2.gz IHMFYCNCPYIWQH-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM C[C@H](CCC(C)(C)C)C(=O)[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000791952968 1134637669 /nfs/dbraw/zinc/63/76/69/1134637669.db2.gz ILBSCMGCWFTHAA-CYBMUJFWSA-N -1 0 348.468 3.502 20 0 EHADRM CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000791954778 1134638380 /nfs/dbraw/zinc/63/83/80/1134638380.db2.gz QVPBMGNKWVNGLH-AWEZNQCLSA-N -1 0 348.468 3.646 20 0 EHADRM O=C(Nc1ncc(F)cc1[O-])NC1c2ccccc2-c2ccccc21 ZINC001190016672 1134644203 /nfs/dbraw/zinc/64/42/03/1134644203.db2.gz ALYDJWZZSPXCPW-UHFFFAOYSA-N -1 0 335.338 3.818 20 0 EHADRM Cc1cccc(O)c1[N-]S(=O)(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC001189981557 1134646005 /nfs/dbraw/zinc/64/60/05/1134646005.db2.gz AVSMFMHHVZFTFU-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)cn1 ZINC001190294035 1134682042 /nfs/dbraw/zinc/68/20/42/1134682042.db2.gz AFIWYGNWHPXVPL-UHFFFAOYSA-N -1 0 348.321 3.603 20 0 EHADRM COC(=O)c1nc2ccccc2cc1Nc1ccc(C(=O)[O-])cc1F ZINC001203287543 1134690420 /nfs/dbraw/zinc/69/04/20/1134690420.db2.gz DKBULEXLYWDNGN-UHFFFAOYSA-N -1 0 340.310 3.602 20 0 EHADRM Cc1ccc([C@H](C)NS(=O)(=O)c2cc(F)cc(F)c2F)cc1C ZINC001190412662 1134695748 /nfs/dbraw/zinc/69/57/48/1134695748.db2.gz HYPJMHQYWLRGKB-NSHDSACASA-N -1 0 343.370 3.760 20 0 EHADRM Cc1nc2sccc2c([N-]S(=O)(=O)c2ccc(C3CC3)cc2)n1 ZINC001190468161 1134705734 /nfs/dbraw/zinc/70/57/34/1134705734.db2.gz OUKQQRCKKXRCJX-UHFFFAOYSA-N -1 0 345.449 3.678 20 0 EHADRM O=C(Nc1ccc2[nH][nH]c(=O)c2c1)c1cccc(Oc2ccccc2)n1 ZINC001191143154 1134810419 /nfs/dbraw/zinc/81/04/19/1134810419.db2.gz ZRQRJCIYSPKJPX-UHFFFAOYSA-N -1 0 346.346 3.708 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cnc(Cl)nc2C)cc1 ZINC001191232647 1134832257 /nfs/dbraw/zinc/83/22/57/1134832257.db2.gz AUMZAJHVDZFURL-UHFFFAOYSA-N -1 0 339.848 3.582 20 0 EHADRM O=C([O-])c1sccc1-c1ncccc1NC(=O)OCC(F)(F)F ZINC001205565108 1134887366 /nfs/dbraw/zinc/88/73/66/1134887366.db2.gz HMCLSCCNKLOVRI-UHFFFAOYSA-N -1 0 346.286 3.619 20 0 EHADRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cccc(Cl)n1 ZINC001191663512 1134901331 /nfs/dbraw/zinc/90/13/31/1134901331.db2.gz OSHUHDSCFKMIAH-UHFFFAOYSA-N -1 0 340.832 3.668 20 0 EHADRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc([C@@H](C)O)cc1 ZINC001191696222 1134908520 /nfs/dbraw/zinc/90/85/20/1134908520.db2.gz DMAIFYAYKLHAGX-CYBMUJFWSA-N -1 0 349.452 3.673 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cccc2ncccc12 ZINC001191780781 1134920852 /nfs/dbraw/zinc/92/08/52/1134920852.db2.gz UNBBJTDKXQQZDF-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(F)c(F)cc1C ZINC001191820958 1134929131 /nfs/dbraw/zinc/92/91/31/1134929131.db2.gz AEOGMOPVKVRYDG-UHFFFAOYSA-N -1 0 341.379 3.781 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cccc2ccncc21 ZINC001191822301 1134930253 /nfs/dbraw/zinc/93/02/53/1134930253.db2.gz YOVAXVIMYVQDAN-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3cncnc3C)cc2)cc1 ZINC001192063609 1134964050 /nfs/dbraw/zinc/96/40/50/1134964050.db2.gz ORGXIZBDPOMUTH-UHFFFAOYSA-N -1 0 339.420 3.561 20 0 EHADRM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1cc2c(s1)CCCC2 ZINC001192321808 1134998213 /nfs/dbraw/zinc/99/82/13/1134998213.db2.gz UTXHBFCJYLTSJZ-UHFFFAOYSA-N -1 0 342.873 3.785 20 0 EHADRM CC(=O)Nc1ccc(NC(=O)c2c(F)ccc(F)c2[O-])cc1Cl ZINC001192706879 1135049971 /nfs/dbraw/zinc/04/99/71/1135049971.db2.gz PUCOQIOPJCLPJS-UHFFFAOYSA-N -1 0 340.713 3.535 20 0 EHADRM CCN(Cc1cccc(F)c1F)C(=O)c1c(F)ccc(F)c1[O-] ZINC001192707536 1135050308 /nfs/dbraw/zinc/05/03/08/1135050308.db2.gz ZJOKIOBXRFCRSZ-UHFFFAOYSA-N -1 0 327.277 3.611 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C)c(C)c(C)c2)c1 ZINC001192821689 1135058752 /nfs/dbraw/zinc/05/87/52/1135058752.db2.gz VEEPNPGRSQUKAD-UHFFFAOYSA-N -1 0 333.453 3.984 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(C(C)=O)c2C)c1 ZINC001192819088 1135058895 /nfs/dbraw/zinc/05/88/95/1135058895.db2.gz SWYDUPVVDSSJOV-UHFFFAOYSA-N -1 0 347.436 3.569 20 0 EHADRM O=C(c1cc(F)c([O-])cc1F)N1CCC[C@H](Cc2ccccc2)C1 ZINC001192868233 1135061860 /nfs/dbraw/zinc/06/18/60/1135061860.db2.gz XBQWGEXMPOYQCF-CQSZACIVSA-N -1 0 331.362 3.765 20 0 EHADRM O=C(c1cc(F)c([O-])cc1F)N1CCc2c3ccccc3oc2C1 ZINC001192872271 1135062060 /nfs/dbraw/zinc/06/20/60/1135062060.db2.gz KKKPACXPWLHBLH-UHFFFAOYSA-N -1 0 329.302 3.615 20 0 EHADRM O=C(Nc1ncccc1-c1ccccc1)c1cc(F)c([O-])cc1F ZINC001192853887 1135066658 /nfs/dbraw/zinc/06/66/58/1135066658.db2.gz XCMKHWCZXFNKRF-UHFFFAOYSA-N -1 0 326.302 3.985 20 0 EHADRM O=C(Nc1nc2ccc(F)cc2o1)c1cc(Cl)nc(Cl)c1[O-] ZINC001193084199 1135098025 /nfs/dbraw/zinc/09/80/25/1135098025.db2.gz QBFVRPLJIMAQRE-UHFFFAOYSA-N -1 0 342.113 3.627 20 0 EHADRM Cc1c(C)c(NC(=O)c2cc(Cl)nc(Cl)c2[O-])ccc1O ZINC001193089198 1135098592 /nfs/dbraw/zinc/09/85/92/1135098592.db2.gz JGAITIWCBDHYAU-UHFFFAOYSA-N -1 0 327.167 3.669 20 0 EHADRM O=S(=O)(C[C@H]1CCCO1)[N-]c1cccc2c3ccccc3oc21 ZINC001193273187 1135120894 /nfs/dbraw/zinc/12/08/94/1135120894.db2.gz BHOSAWJRWOGRGQ-GFCCVEGCSA-N -1 0 331.393 3.507 20 0 EHADRM CC(C)OC(=O)Nc1cccc(C([O-])(C(F)(F)F)C(F)(F)F)c1 ZINC001193496188 1135143891 /nfs/dbraw/zinc/14/38/91/1135143891.db2.gz PMHQBYAOCNKHHX-UHFFFAOYSA-N -1 0 345.239 3.956 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)Nc1nc2c(c(=O)[nH]1)CCCC2 ZINC001129759232 1135152018 /nfs/dbraw/zinc/15/20/18/1135152018.db2.gz LMBVPNYKLJRKPV-AWEZNQCLSA-N -1 0 339.439 3.659 20 0 EHADRM CCC1(C(=O)Nc2nc3c(c(=O)[nH]2)CCCC3)CCC(F)(F)CC1 ZINC001129758673 1135152269 /nfs/dbraw/zinc/15/22/69/1135152269.db2.gz FTQYHNUYDZYVOQ-UHFFFAOYSA-N -1 0 339.386 3.605 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC000804780654 1135189142 /nfs/dbraw/zinc/18/91/42/1135189142.db2.gz DWDSFXNTNNRUHU-GUYCJALGSA-N -1 0 333.391 3.559 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c3ccccc32)cn1 ZINC001193833028 1135191173 /nfs/dbraw/zinc/19/11/73/1135191173.db2.gz IMZYLAQRUPVLBE-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM Cc1cc(CO)cc(NS(=O)(=O)c2ccc(C)c3ccccc32)c1 ZINC001193862929 1135197781 /nfs/dbraw/zinc/19/77/81/1135197781.db2.gz PEYKJFZTLZAPSZ-UHFFFAOYSA-N -1 0 341.432 3.750 20 0 EHADRM CCCCCCOC(=O)Nc1ccc(Cl)cc1S(=O)(=O)[O-] ZINC001194185927 1135235805 /nfs/dbraw/zinc/23/58/05/1135235805.db2.gz XFGBTCMBZJSGBR-UHFFFAOYSA-N -1 0 335.809 3.716 20 0 EHADRM Cc1ccncc1[N-]S(=O)(=O)c1ccc2c(Cl)cccc2c1 ZINC001194216305 1135245237 /nfs/dbraw/zinc/24/52/37/1135245237.db2.gz WWLGPXFFBYRRHX-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cc(=O)c2ccccc2o1 ZINC000805256775 1135254002 /nfs/dbraw/zinc/25/40/02/1135254002.db2.gz WWACTSLDFYMSJC-UHFFFAOYSA-N -1 0 333.702 3.543 20 0 EHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1cnc2c(ccc(F)c2F)c1 ZINC001194610002 1135286155 /nfs/dbraw/zinc/28/61/55/1135286155.db2.gz UUUGKKDUGKQQPS-UHFFFAOYSA-N -1 0 348.374 3.931 20 0 EHADRM CCOC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1c(C)cccc1C ZINC001194637575 1135295628 /nfs/dbraw/zinc/29/56/28/1135295628.db2.gz BGBRDONNJDSKEW-UHFFFAOYSA-N -1 0 347.436 3.589 20 0 EHADRM Nc1nc(-c2cccc(C(=O)Nc3ccccc3[S-])c2)cs1 ZINC001194709087 1135310236 /nfs/dbraw/zinc/31/02/36/1135310236.db2.gz DIOINFZDNKVHMS-UHFFFAOYSA-N -1 0 327.434 3.933 20 0 EHADRM CSc1ccccc1NC(=O)c1scnc1Br ZINC000775611815 1135327803 /nfs/dbraw/zinc/32/78/03/1135327803.db2.gz ZTAVNDAAYLTMPS-UHFFFAOYSA-N -1 0 329.244 3.880 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCCCC(C)(C)C)cc1C ZINC000805842532 1135344112 /nfs/dbraw/zinc/34/41/12/1135344112.db2.gz RDUXEVNSJXTCFK-UHFFFAOYSA-N -1 0 325.474 3.715 20 0 EHADRM O=S(=O)([N-]c1ccc2sccc2c1)c1cccc2nccnc21 ZINC001194980815 1135350595 /nfs/dbraw/zinc/35/05/95/1135350595.db2.gz JRZHKGDOFFGAKA-UHFFFAOYSA-N -1 0 341.417 3.645 20 0 EHADRM O=C(Nc1c(Cl)ccc([O-])c1Cl)c1c[nH]c(=O)cc1Cl ZINC001195005988 1135353084 /nfs/dbraw/zinc/35/30/84/1135353084.db2.gz WZYWRUMRWNJRCS-UHFFFAOYSA-N -1 0 333.558 3.705 20 0 EHADRM COc1cc(Cl)ncc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC001195121295 1135373503 /nfs/dbraw/zinc/37/35/03/1135373503.db2.gz ZCZHBPPMIDDWJY-UHFFFAOYSA-N -1 0 340.832 3.668 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CC=C(c2ccc(O)cc2)CC1 ZINC000775644425 1135384693 /nfs/dbraw/zinc/38/46/93/1135384693.db2.gz GISLFEMZKIPMEK-UHFFFAOYSA-N -1 0 329.783 3.681 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)CCC2 ZINC001195307952 1135410631 /nfs/dbraw/zinc/41/06/31/1135410631.db2.gz DCGYRKGPXUYBRJ-UHFFFAOYSA-N -1 0 349.839 3.968 20 0 EHADRM CCOC(=O)c1csc(/C=C\c2cc(C(=O)[O-])c(C)cc2C)n1 ZINC000806562000 1135460021 /nfs/dbraw/zinc/46/00/21/1135460021.db2.gz AHIPVBKYBGRXMZ-WAYWQWQTSA-N -1 0 331.393 3.805 20 0 EHADRM O=C(CCCOC1CCOCC1)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000867137029 1135480931 /nfs/dbraw/zinc/48/09/31/1135480931.db2.gz FILWSFCOKBRFAU-UHFFFAOYSA-N -1 0 348.226 3.613 20 0 EHADRM COc1ccc(NS(=O)(=O)c2cccc(C)c2Cl)c(Cl)n1 ZINC000775674840 1135487783 /nfs/dbraw/zinc/48/77/83/1135487783.db2.gz LUEFBYSJBDLJMA-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM O=S(=O)([N-]c1ccc(F)c2ccccc12)c1ccc(Cl)cn1 ZINC001196245488 1135539635 /nfs/dbraw/zinc/53/96/35/1135539635.db2.gz ARFOWVUXYBVCCA-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000775709526 1135548754 /nfs/dbraw/zinc/54/87/54/1135548754.db2.gz HUZYNGFSOYNFLD-AWEZNQCLSA-N -1 0 345.782 3.752 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C3CCOCC3)cc2)c(F)c1 ZINC001196383703 1135552919 /nfs/dbraw/zinc/55/29/19/1135552919.db2.gz XRBFKMDCHUYJLD-UHFFFAOYSA-N -1 0 349.427 3.829 20 0 EHADRM O=C(Nc1cccc2c(Cl)ccnc12)c1cc(Cl)ncc1[O-] ZINC001196396353 1135555517 /nfs/dbraw/zinc/55/55/17/1135555517.db2.gz GFPSZIWKNVIWLJ-UHFFFAOYSA-N -1 0 334.162 3.895 20 0 EHADRM CCn1ncc([N-]S(=O)(=O)c2ccc3cc(Cl)ccc3c2)c1C ZINC001196414096 1135560335 /nfs/dbraw/zinc/56/03/35/1135560335.db2.gz IZUIASASHPWSMS-UHFFFAOYSA-N -1 0 349.843 3.819 20 0 EHADRM O=C(N[C@@H](c1ccccc1)C1(O)CCC1)c1cc(Cl)c(F)cc1[O-] ZINC001196478559 1135566313 /nfs/dbraw/zinc/56/63/13/1135566313.db2.gz WGJRTCLXFXMUCK-INIZCTEOSA-N -1 0 349.789 3.571 20 0 EHADRM O=C(NCc1cncc2ccccc21)c1cc(Cl)c(F)cc1[O-] ZINC001196483442 1135566494 /nfs/dbraw/zinc/56/64/94/1135566494.db2.gz IAENDJPYIUQHQU-UHFFFAOYSA-N -1 0 330.746 3.663 20 0 EHADRM Cc1noc2ccc(CNC(=O)c3cc(Cl)c(F)cc3[O-])cc12 ZINC001196478712 1135566594 /nfs/dbraw/zinc/56/65/94/1135566594.db2.gz ZEGBEZJVSZKRNE-UHFFFAOYSA-N -1 0 334.734 3.564 20 0 EHADRM Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1cccc(C(C)(F)F)c1 ZINC000808110824 1135618703 /nfs/dbraw/zinc/61/87/03/1135618703.db2.gz HGWIVZJRWPVQJJ-UHFFFAOYSA-N -1 0 346.786 3.956 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000775752510 1135635958 /nfs/dbraw/zinc/63/59/58/1135635958.db2.gz BETQARWDGLMKOW-CYBMUJFWSA-N -1 0 347.802 3.673 20 0 EHADRM CC(C)(C)c1cc(NC(=S)Nc2ccc(C(=O)[O-])cc2)sn1 ZINC001197077340 1135647402 /nfs/dbraw/zinc/64/74/02/1135647402.db2.gz RAZZWXJFLPXKTJ-UHFFFAOYSA-N -1 0 335.454 3.948 20 0 EHADRM C[C@H]1C[C@@H](NC(=S)Nc2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC001197132442 1135648014 /nfs/dbraw/zinc/64/80/14/1135648014.db2.gz WPEAWBMLVSTYJL-MEDUHNTESA-N -1 0 326.421 3.920 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N[C@H]2CCc3c2cc(F)cc3F)cc1 ZINC001197129815 1135648075 /nfs/dbraw/zinc/64/80/75/1135648075.db2.gz IOLYIYLJSRSILJ-HNNXBMFYSA-N -1 0 348.374 3.637 20 0 EHADRM COc1cc(C)c(NC(=S)Nc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC001197112906 1135650891 /nfs/dbraw/zinc/65/08/91/1135650891.db2.gz XBXWESPESPHTGL-UHFFFAOYSA-N -1 0 330.409 3.819 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NCc2cccc(F)c2Cl)cc1 ZINC001197126946 1135652669 /nfs/dbraw/zinc/65/26/69/1135652669.db2.gz HVEPEPAIYJBCNU-UHFFFAOYSA-N -1 0 338.791 3.664 20 0 EHADRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)Cc2cccc(OC)c2)on1 ZINC001197345138 1135675752 /nfs/dbraw/zinc/67/57/52/1135675752.db2.gz BMMJKNMDWADELD-GFCCVEGCSA-N -1 0 338.429 3.529 20 0 EHADRM O=C(C[C@@H]1CCCN1C(=O)c1cccc(Cl)c1[O-])c1ccccc1 ZINC000775770833 1135685053 /nfs/dbraw/zinc/68/50/53/1135685053.db2.gz SCWWCXDMEWTAFD-AWEZNQCLSA-N -1 0 343.810 3.923 20 0 EHADRM C[C@@H]([N-]C(=O)C(F)(F)c1cccc(Br)c1)C(F)(F)F ZINC001131466266 1135743161 /nfs/dbraw/zinc/74/31/61/1135743161.db2.gz XQOPIRDDNLXIHP-ZCFIWIBFSA-N -1 0 346.093 3.608 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2cc(C)c(Cl)cc2Cl)c1 ZINC001197998790 1135760410 /nfs/dbraw/zinc/76/04/10/1135760410.db2.gz JYFNJDOFVIEFNU-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2c(C)cc(Cl)cc2Cl)c1 ZINC001198004635 1135760849 /nfs/dbraw/zinc/76/08/49/1135760849.db2.gz OZUSQKWYSLHLSQ-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2ccc(-c3ccsc3)cc2)c1 ZINC001198009153 1135761838 /nfs/dbraw/zinc/76/18/38/1135761838.db2.gz HGTDTDINTWSAHZ-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCC(Cc2cccnc2)CC1 ZINC000775815832 1135770832 /nfs/dbraw/zinc/77/08/32/1135770832.db2.gz RNLNIMJYOMDXLD-UHFFFAOYSA-N -1 0 330.815 3.536 20 0 EHADRM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1)c1cccc(Cl)n1 ZINC001198189097 1135786173 /nfs/dbraw/zinc/78/61/73/1135786173.db2.gz QZHCHDZEFXJQQT-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cccc(Cl)n2)cc1Cl ZINC001198235285 1135789949 /nfs/dbraw/zinc/78/99/49/1135789949.db2.gz XSEPFGSBINKXGG-UHFFFAOYSA-N -1 0 347.223 3.588 20 0 EHADRM CCc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(Cl)n1 ZINC001198238549 1135790685 /nfs/dbraw/zinc/79/06/85/1135790685.db2.gz XEBKBJKMGHAVOP-UHFFFAOYSA-N -1 0 331.224 3.752 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(O)cc3)cc2)cn1 ZINC001198314027 1135799144 /nfs/dbraw/zinc/79/91/44/1135799144.db2.gz MCYLRKSFLWAKIH-UHFFFAOYSA-N -1 0 340.404 3.563 20 0 EHADRM O=C([O-])c1c(F)cc(Nc2cncc(Br)c2)cc1F ZINC001203316054 1135820967 /nfs/dbraw/zinc/82/09/67/1135820967.db2.gz HRRLFQCLZFXKFO-UHFFFAOYSA-N -1 0 329.100 3.564 20 0 EHADRM O=S(=O)([N-]c1cncc(C(F)(F)F)c1)c1ccc2occc2c1 ZINC001198830089 1135857397 /nfs/dbraw/zinc/85/73/97/1135857397.db2.gz GARNBAZAYJRZRZ-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM CCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1cc(C)sc1C ZINC000776084079 1135951692 /nfs/dbraw/zinc/95/16/92/1135951692.db2.gz ICOWYAAMDVMOPU-ZDUSSCGKSA-N -1 0 331.503 3.776 20 0 EHADRM CSc1ccc(NC(=S)Nc2ccnc(Cl)c2[O-])cc1 ZINC001201174692 1135992292 /nfs/dbraw/zinc/99/22/92/1135992292.db2.gz CYSHJMQDMFBHLX-UHFFFAOYSA-N -1 0 325.846 3.971 20 0 EHADRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccnn2CC2CC2)c(C)c1C ZINC001201792349 1136062666 /nfs/dbraw/zinc/06/26/66/1136062666.db2.gz CYVNONWJDAEGJP-UHFFFAOYSA-N -1 0 347.484 3.636 20 0 EHADRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2nccnc2C2CC2)c(C)c1C ZINC001201792102 1136062995 /nfs/dbraw/zinc/06/29/95/1136062995.db2.gz ONJBDNYDLSGOSU-UHFFFAOYSA-N -1 0 345.468 3.697 20 0 EHADRM Cc1c(=O)[n-]n(-c2ccccc2)c1NC(=O)Nc1c(F)cccc1F ZINC001202051439 1136086682 /nfs/dbraw/zinc/08/66/82/1136086682.db2.gz KTTHPXAQKIPDAN-UHFFFAOYSA-N -1 0 344.321 3.809 20 0 EHADRM CC(C)OCc1cc(NC(=O)c2c([O-])cccc2Cl)ccc1O ZINC000811595332 1136109157 /nfs/dbraw/zinc/10/91/57/1136109157.db2.gz XWPOQLIKJIUOBW-UHFFFAOYSA-N -1 0 335.787 3.929 20 0 EHADRM O=S(=O)([N-]c1cc(C2CC2)ccn1)c1cccc2c1CCCC2 ZINC000811838220 1136143490 /nfs/dbraw/zinc/14/34/90/1136143490.db2.gz ZSBWGVYDILLDFV-UHFFFAOYSA-N -1 0 328.437 3.639 20 0 EHADRM O=S(=O)([N-]c1cc(C2CC2)ccn1)c1ccc(F)c(Cl)c1 ZINC000811838053 1136143628 /nfs/dbraw/zinc/14/36/28/1136143628.db2.gz QTAHOAISSIKYMF-UHFFFAOYSA-N -1 0 326.780 3.552 20 0 EHADRM CC(C)Oc1cccc(CNC(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000811814788 1136144457 /nfs/dbraw/zinc/14/44/57/1136144457.db2.gz UEQYCMLSKNQJCI-UHFFFAOYSA-N -1 0 347.798 3.755 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)NCCc2ccccc2Cl)c1 ZINC000811814612 1136144701 /nfs/dbraw/zinc/14/47/01/1136144701.db2.gz NEIHRRKYKZLAON-UHFFFAOYSA-N -1 0 338.190 3.664 20 0 EHADRM CCCCC(=O)[N-]S(=O)(=O)c1ccc(OC(C)C)c2ccccc21 ZINC000107881090 1136179655 /nfs/dbraw/zinc/17/96/55/1136179655.db2.gz JZISEJKBZRXKBU-UHFFFAOYSA-N -1 0 349.452 3.622 20 0 EHADRM CC(C(=O)N(C(C)C)C(C)C)=S([O-])c1cccc(C(F)(F)F)c1 ZINC000107996451 1136181365 /nfs/dbraw/zinc/18/13/65/1136181365.db2.gz JIWRFPANEPTRPC-DAOPMYJZSA-N -1 0 349.418 3.847 20 0 EHADRM CCC[C@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1F)C(C)C ZINC000828133119 1136195940 /nfs/dbraw/zinc/19/59/40/1136195940.db2.gz NDCUXKQXTQXXLW-SWLSCSKDSA-N -1 0 327.371 3.669 20 0 EHADRM C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)[N-]OC/C=C\Cl ZINC000812409660 1136209745 /nfs/dbraw/zinc/20/97/45/1136209745.db2.gz VJHPBBYXWLWYIB-VDFGQWLZSA-N -1 0 331.799 3.921 20 0 EHADRM CCC[C@@](C)(CC)C(=O)[N-]S(=O)(=O)c1cccc2c(C)ccnc21 ZINC000851139877 1136341311 /nfs/dbraw/zinc/34/13/11/1136341311.db2.gz SHTWSIDZRGURQI-GOSISDBHSA-N -1 0 348.468 3.565 20 0 EHADRM O=C(O[C@H]1C[C@@H]([N-]C(=O)C(F)(F)F)c2ccccc21)C1=CCCC1 ZINC000851176052 1136346215 /nfs/dbraw/zinc/34/62/15/1136346215.db2.gz MPHYUKLTESYGRI-KGLIPLIRSA-N -1 0 339.313 3.505 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000776525113 1136363802 /nfs/dbraw/zinc/36/38/02/1136363802.db2.gz IJITXTNFFBEPOC-PBHICJAKSA-N -1 0 343.448 3.595 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1csc(Cl)c1 ZINC000814016120 1136386585 /nfs/dbraw/zinc/38/65/85/1136386585.db2.gz LWJURKCRFQTFEI-LBPRGKRZSA-N -1 0 343.857 3.612 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccoc1C(C)C ZINC000814020366 1136387074 /nfs/dbraw/zinc/38/70/74/1136387074.db2.gz SGXKDIUVIZKNRR-HNNXBMFYSA-N -1 0 335.425 3.614 20 0 EHADRM Cc1ccc([C@H](NC(=O)c2ccc(/C=C\C(=O)[O-])o2)C2CC2)cc1 ZINC000851594109 1136394801 /nfs/dbraw/zinc/39/48/01/1136394801.db2.gz GJNNQBBCKAMNAI-FYGXRCCRSA-N -1 0 325.364 3.567 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)c2ccc(/C=C\C(=O)[O-])o2)cc1 ZINC000851593908 1136394897 /nfs/dbraw/zinc/39/48/97/1136394897.db2.gz DOBMFSKDYIHDJE-HGPCXVNDSA-N -1 0 325.364 3.663 20 0 EHADRM CC(C)Oc1cccc([C@@H](C)NC(=O)c2ccc(/C=C\C(=O)[O-])o2)c1 ZINC000851593670 1136395001 /nfs/dbraw/zinc/39/50/01/1136395001.db2.gz AIFKUMZRIPLNCE-CHOZFAJLSA-N -1 0 343.379 3.656 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N(Cc2ccco2)C2CCCC2)o1 ZINC000851602753 1136395624 /nfs/dbraw/zinc/39/56/24/1136395624.db2.gz ZPBSXSPBLUXXPW-CSKARUKUSA-N -1 0 329.352 3.555 20 0 EHADRM O=C([O-])C[C@@H](CNC(=O)c1ccc(SC(F)(F)F)cc1)C1CC1 ZINC000851621255 1136396888 /nfs/dbraw/zinc/39/68/88/1136396888.db2.gz ZMFOTLTUXDVQRX-NSHDSACASA-N -1 0 347.358 3.529 20 0 EHADRM C[C@H](C(=O)NC[C@@H](CC(=O)[O-])C1CC1)c1ccc2ccccc2c1 ZINC000851706018 1136400259 /nfs/dbraw/zinc/40/02/59/1136400259.db2.gz WDPJIDXDKRYWFU-SCLBCKFNSA-N -1 0 325.408 3.560 20 0 EHADRM CCCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1cc(C)oc1C ZINC000776564449 1136434072 /nfs/dbraw/zinc/43/40/72/1136434072.db2.gz SGHXOTAGPXTEEV-AWEZNQCLSA-N -1 0 329.462 3.698 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)Sc1ccc(F)cc1 ZINC000852830264 1136489493 /nfs/dbraw/zinc/48/94/93/1136489493.db2.gz HVLAGOYVTIJEFX-LLVKDONJSA-N -1 0 333.384 3.952 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000776630989 1136493827 /nfs/dbraw/zinc/49/38/27/1136493827.db2.gz DPLAMLSPWUCWLL-PMTUYOFDSA-N -1 0 325.339 3.966 20 0 EHADRM O=C([O-])C[C@H](NC(=O)/C=C\C1CCCCC1)c1ccc(F)cc1F ZINC000776658368 1136526859 /nfs/dbraw/zinc/52/68/59/1136526859.db2.gz SXXBEQAZDUMBMO-HWYHOQROSA-N -1 0 337.366 3.733 20 0 EHADRM CC(C)(C)CCCC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000776662099 1136529941 /nfs/dbraw/zinc/52/99/41/1136529941.db2.gz SWANTWVPPYFRBE-AWEZNQCLSA-N -1 0 327.371 3.813 20 0 EHADRM CC[C@H](C)CO[N-]C(=O)C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000815714269 1136632296 /nfs/dbraw/zinc/63/22/96/1136632296.db2.gz RABKQWBWUQZLDP-LBPRGKRZSA-N -1 0 340.379 3.618 20 0 EHADRM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)/C(F)=C/C1CCCCC1 ZINC000815955761 1136653393 /nfs/dbraw/zinc/65/33/93/1136653393.db2.gz JHLUXJHNRYFDHL-WIOAZZGGSA-N -1 0 339.432 3.627 20 0 EHADRM CCCc1occc1C(=O)[N-]S(=O)(=O)[C@@H](c1ccccc1)C(C)C ZINC000816106164 1136673992 /nfs/dbraw/zinc/67/39/92/1136673992.db2.gz FNUHHIFVSZSSJI-QGZVFWFLSA-N -1 0 349.452 3.689 20 0 EHADRM CC(C)CCc1nnc(NC(=O)c2ccc3oc(=S)[n-]c3c2)s1 ZINC000855190782 1136675606 /nfs/dbraw/zinc/67/56/06/1136675606.db2.gz MSVNRMHTGDMHBI-UHFFFAOYSA-N -1 0 348.453 3.809 20 0 EHADRM Cc1cscc1C(=O)[N-]S(=O)(=O)[C@H](c1ccccc1)C(C)C ZINC000816107249 1136677137 /nfs/dbraw/zinc/67/71/37/1136677137.db2.gz FPBBADJHHSKVML-HNNXBMFYSA-N -1 0 337.466 3.513 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H]1CCCC1(C)C ZINC000816109999 1136677301 /nfs/dbraw/zinc/67/73/01/1136677301.db2.gz QKBNKCJCFXJWLV-HZPDHXFCSA-N -1 0 337.485 3.656 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H](C)C1CCCC1 ZINC000816111633 1136677478 /nfs/dbraw/zinc/67/74/78/1136677478.db2.gz CLDCZSVFWFFYCV-RHSMWYFYSA-N -1 0 337.485 3.656 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H](C)c1ccccc1 ZINC000816112083 1136677546 /nfs/dbraw/zinc/67/75/46/1136677546.db2.gz MIHSBEACSYBUBR-YJBOKZPZSA-N -1 0 345.464 3.633 20 0 EHADRM Cc1cccc(C(=O)[N-]S(=O)(=O)[C@H](c2ccccc2)C(C)C)c1F ZINC000816110983 1136677644 /nfs/dbraw/zinc/67/76/44/1136677644.db2.gz MWZSVQKTCQAZQW-KRWDZBQOSA-N -1 0 349.427 3.591 20 0 EHADRM CC(C)C[C@H](C)C(=O)[N-]S(=O)(=O)[C@@H](c1ccccc1)C(C)C ZINC000816112075 1136677652 /nfs/dbraw/zinc/67/76/52/1136677652.db2.gz MEOQZIYKMPPXQJ-GOEBONIOSA-N -1 0 325.474 3.512 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H](C)C1CCCC1 ZINC000816111632 1136677660 /nfs/dbraw/zinc/67/76/60/1136677660.db2.gz CLDCZSVFWFFYCV-PBHICJAKSA-N -1 0 337.485 3.656 20 0 EHADRM CC(C)(CNC(=O)c1ccc2oc(=S)[n-]c2c1)c1ccccc1 ZINC000816860543 1136759667 /nfs/dbraw/zinc/75/96/67/1136759667.db2.gz OWWAXPUSQLIJRK-UHFFFAOYSA-N -1 0 326.421 3.824 20 0 EHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCS[C@H]2CCCC[C@H]21 ZINC000816945824 1136766065 /nfs/dbraw/zinc/76/60/65/1136766065.db2.gz QILZVEWCKRCPJW-OCCSQVGLSA-N -1 0 334.466 3.617 20 0 EHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCC(C(F)(F)F)CC1 ZINC000816939689 1136768064 /nfs/dbraw/zinc/76/80/64/1136768064.db2.gz LDOHKGUIXBQNLY-UHFFFAOYSA-N -1 0 330.331 3.531 20 0 EHADRM CCC(CC)(CC(=O)Nc1ccc(Br)cc1C)C(=O)[O-] ZINC000011164494 1136800442 /nfs/dbraw/zinc/80/04/42/1136800442.db2.gz ISDCCGUKBGHGKY-UHFFFAOYSA-N -1 0 342.233 3.977 20 0 EHADRM C[C@@H](Sc1ccc(Br)cc1)C(=O)[N-]OCCC1CC1 ZINC000817393824 1136804228 /nfs/dbraw/zinc/80/42/28/1136804228.db2.gz XSCAFJJKLYNHLW-SNVBAGLBSA-N -1 0 344.274 3.778 20 0 EHADRM C/C(=C\C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1)c1cccs1 ZINC000856925308 1136824419 /nfs/dbraw/zinc/82/44/19/1136824419.db2.gz QKPQAGCZOJSTSK-WCRPCQDQSA-N -1 0 343.448 3.744 20 0 EHADRM C[C@H](CC(=O)N1CCC([C@@H](CC(=O)[O-])c2ccccc2)CC1)C1CC1 ZINC000856930132 1136825191 /nfs/dbraw/zinc/82/51/91/1136825191.db2.gz RTPSBQLZQBCZGS-BEFAXECRSA-N -1 0 343.467 3.920 20 0 EHADRM CCCC[C@@H](C(=O)[N-]S(=O)(=O)c1cccc2ncccc21)C(C)C ZINC000857011885 1136832072 /nfs/dbraw/zinc/83/20/72/1136832072.db2.gz NVPUGKVNTFKMPN-CQSZACIVSA-N -1 0 348.468 3.502 20 0 EHADRM CCCC[C@@H](C(=O)[N-]S(=O)(=O)c1cc2ccccc2o1)C(C)C ZINC000857036574 1136835688 /nfs/dbraw/zinc/83/56/88/1136835688.db2.gz KOIAQCUBOSOWAR-CQSZACIVSA-N -1 0 337.441 3.700 20 0 EHADRM CN(Cc1ccc(F)cc1F)C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC001135997521 1136836263 /nfs/dbraw/zinc/83/62/63/1136836263.db2.gz NTNOVGVBXYSQIS-UHFFFAOYSA-N -1 0 334.347 3.667 20 0 EHADRM O=C(CCCc1nnn[n-]1)Nc1ccc(-c2cc3ccccc3o2)cc1 ZINC001136024217 1136840905 /nfs/dbraw/zinc/84/09/05/1136840905.db2.gz BGHFKZKBTQUJMI-UHFFFAOYSA-N -1 0 347.378 3.574 20 0 EHADRM CC(C)(Oc1ccc(Cl)cc1)C(=O)[N-]OCc1ccc(F)cc1 ZINC000857485240 1136876271 /nfs/dbraw/zinc/87/62/71/1136876271.db2.gz RSCDUCAWHBHWOE-UHFFFAOYSA-N -1 0 337.778 3.885 20 0 EHADRM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)[N-]OC1CCCCC1 ZINC000857492949 1136876848 /nfs/dbraw/zinc/87/68/48/1136876848.db2.gz PGPHNEDUSMNJHS-NSHDSACASA-N -1 0 331.334 3.853 20 0 EHADRM CC(=O)N(c1ccc(NC(=O)c2cccc(Cl)c2[O-])cc1)C1CC1 ZINC000819019173 1136903824 /nfs/dbraw/zinc/90/38/24/1136903824.db2.gz CQMCOPWXYKCCQP-UHFFFAOYSA-N -1 0 344.798 3.813 20 0 EHADRM Cc1n[nH]c(C(=O)N[C@H](c2cccs2)c2ccc(Cl)cc2)c1[O-] ZINC001136269224 1136963170 /nfs/dbraw/zinc/96/31/70/1136963170.db2.gz SWQBVODIOUDLAX-ZDUSSCGKSA-N -1 0 347.827 3.658 20 0 EHADRM COC(=O)Nc1ccc(OC(=O)c2ccc3oc(=S)[n-]c3c2)cc1 ZINC001136290235 1136971889 /nfs/dbraw/zinc/97/18/89/1136971889.db2.gz HIVXMZZKPFNAHA-UHFFFAOYSA-N -1 0 344.348 3.514 20 0 EHADRM CCSc1nc(C)c([C@@H](CC)C(=O)[N-]O[C@@H]2CCCCO2)s1 ZINC001136459845 1137031231 /nfs/dbraw/zinc/03/12/31/1137031231.db2.gz ISOISGVLLWEZQJ-VXGBXAGGSA-N -1 0 344.502 3.632 20 0 EHADRM Cc1cccc(CCNC(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])c1 ZINC001136546003 1137050759 /nfs/dbraw/zinc/05/07/59/1137050759.db2.gz SORLJBMDNSOQDB-UHFFFAOYSA-N -1 0 349.386 3.746 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(C(F)(F)F)c1 ZINC000013225152 1137058505 /nfs/dbraw/zinc/05/85/05/1137058505.db2.gz DHYXDMJTFSAMDV-BPNCWPANSA-N -1 0 341.329 3.563 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1cc(Cl)cc(Cl)c1 ZINC000013448763 1137085840 /nfs/dbraw/zinc/08/58/40/1137085840.db2.gz UUZKONMYMJULFB-UHFFFAOYSA-N -1 0 336.174 3.895 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)N3C[C@@H]4CCCC[C@@H]4C3)c([O-])c2)o1 ZINC000823361760 1137096128 /nfs/dbraw/zinc/09/61/28/1137096128.db2.gz PEJSVRYAIFFJOG-GASCZTMLSA-N -1 0 339.391 3.727 20 0 EHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N(CCc1ccccc1)C1CC1 ZINC000824455087 1137139976 /nfs/dbraw/zinc/13/99/76/1137139976.db2.gz SUSDDVXWXBAVKH-UHFFFAOYSA-N -1 0 338.432 3.964 20 0 EHADRM CCO[C@@H]1C[C@H](N(C)C(=O)c2cccc(C(F)(F)F)c2[O-])C1(C)C ZINC001136924389 1137148831 /nfs/dbraw/zinc/14/88/31/1137148831.db2.gz XPGKOCWJFSSJOF-QWHCGFSZSA-N -1 0 345.361 3.687 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000825016639 1137161922 /nfs/dbraw/zinc/16/19/22/1137161922.db2.gz RRVKKSQJOIIDDU-LBPRGKRZSA-N -1 0 331.343 3.724 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000825016638 1137161998 /nfs/dbraw/zinc/16/19/98/1137161998.db2.gz RRVKKSQJOIIDDU-GFCCVEGCSA-N -1 0 331.343 3.724 20 0 EHADRM O=C(NC[C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccc([O-])c(Cl)c1 ZINC000825508240 1137180437 /nfs/dbraw/zinc/18/04/37/1137180437.db2.gz ZVGOORYTPMVTSL-WDEREUQCSA-N -1 0 333.737 3.920 20 0 EHADRM Cc1ccc(COc2cccc(NC(=O)C(C)(C)C(=O)[O-])c2)cc1 ZINC000844248452 1137204930 /nfs/dbraw/zinc/20/49/30/1137204930.db2.gz BHXQGMHNKAKBHB-UHFFFAOYSA-N -1 0 327.380 3.623 20 0 EHADRM Cc1ccc(C(=O)Nc2ccccc2OCC(C)C)cc1C(=O)[O-] ZINC000864102296 1137215009 /nfs/dbraw/zinc/21/50/09/1137215009.db2.gz PECOJEZUBLVRCU-UHFFFAOYSA-N -1 0 327.380 3.980 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)/C=C\c2cc(C(=O)[O-])co2)cc1C ZINC000864105577 1137215356 /nfs/dbraw/zinc/21/53/56/1137215356.db2.gz GXVAZBKVBYRWTE-ZEVQVBBLSA-N -1 0 339.391 3.972 20 0 EHADRM CCC[C@](C)(NC(=O)c1ccc(-c2ccccc2OC)s1)C(=O)[O-] ZINC000864113492 1137215851 /nfs/dbraw/zinc/21/58/51/1137215851.db2.gz UKOVQDCQQYIAJO-SFHVURJKSA-N -1 0 347.436 3.797 20 0 EHADRM C[C@H](CCc1ccc(F)cc1)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000864119223 1137215961 /nfs/dbraw/zinc/21/59/61/1137215961.db2.gz YAENTUWQABVEAR-CQSZACIVSA-N -1 0 335.419 3.688 20 0 EHADRM O=C([O-])CCCCCCNC(=O)/C=C\c1ccsc1C(F)(F)F ZINC000864120522 1137216085 /nfs/dbraw/zinc/21/60/85/1137216085.db2.gz AFHJVKXGEOJVMY-SREVYHEPSA-N -1 0 349.374 3.931 20 0 EHADRM CCOC1CC2(C[C@@H]2C(=O)Nc2cc3ccccc3cc2C(=O)[O-])C1 ZINC000864116325 1137216098 /nfs/dbraw/zinc/21/60/98/1137216098.db2.gz PKGGGACHERDILJ-CZDRUDQFSA-N -1 0 339.391 3.682 20 0 EHADRM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000864123373 1137216209 /nfs/dbraw/zinc/21/62/09/1137216209.db2.gz NDFDYQUZMKQONK-CAPXZKIUSA-N -1 0 333.453 3.625 20 0 EHADRM C[C@@H]1CCN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)[C@@H]1c1cccc(F)c1 ZINC000864130747 1137216517 /nfs/dbraw/zinc/21/65/17/1137216517.db2.gz ZOUAWKSSLSMJTP-AJFWZDNWSA-N -1 0 343.354 3.740 20 0 EHADRM CCC[C@@H](CNC(=O)Cc1csc2sc(CC)cc12)C(=O)[O-] ZINC000864148506 1137217166 /nfs/dbraw/zinc/21/71/66/1137217166.db2.gz IAQCJKMOPFXCOU-JTQLQIEISA-N -1 0 339.482 3.685 20 0 EHADRM Cc1ccc(C(=O)N2CCc3sc(Cl)cc3C2)cc1C(=O)[O-] ZINC000864150459 1137217384 /nfs/dbraw/zinc/21/73/84/1137217384.db2.gz DTNAGSYSUUDMMD-UHFFFAOYSA-N -1 0 335.812 3.607 20 0 EHADRM Cc1c(C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)cnc2ccccc12 ZINC000864173140 1137217645 /nfs/dbraw/zinc/21/76/45/1137217645.db2.gz IIYNRZPEUSSVQH-KRWDZBQOSA-N -1 0 340.423 3.554 20 0 EHADRM Cc1ccc(C(=O)N2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)cc1C(=O)[O-] ZINC000864176305 1137217968 /nfs/dbraw/zinc/21/79/68/1137217968.db2.gz YSHPFHVZMAZDKA-YTQUADARSA-N -1 0 335.403 3.569 20 0 EHADRM Cc1ccc(N(CC2CC2)C(=O)c2ccc(/C=C/C(=O)[O-])o2)cc1F ZINC000864179071 1137218210 /nfs/dbraw/zinc/21/82/10/1137218210.db2.gz PMDJRTMRYTZKRU-VQHVLOKHSA-N -1 0 343.354 3.882 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)o1 ZINC000864180661 1137218215 /nfs/dbraw/zinc/21/82/15/1137218215.db2.gz XVLCIJJZAZSMOM-HGPCXVNDSA-N -1 0 343.354 3.884 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@](F)(c3ccccc3)C2)s1 ZINC000864201665 1137218958 /nfs/dbraw/zinc/21/89/58/1137218958.db2.gz DXDIWXCOQXCGDO-QGZVFWFLSA-N -1 0 333.384 3.547 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N2CCC(c3ccc(F)cc3)CC2)CC1 ZINC000864218349 1137219012 /nfs/dbraw/zinc/21/90/12/1137219012.db2.gz URZYRLUSRRUPBZ-UHFFFAOYSA-N -1 0 347.430 3.813 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CC[C@@H](c2ccccc2F)C1(C)C ZINC000864217366 1137219049 /nfs/dbraw/zinc/21/90/49/1137219049.db2.gz OMHZYWMHWUZTAL-AWEZNQCLSA-N -1 0 345.370 3.834 20 0 EHADRM CC1(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)CCC(F)(F)CC1 ZINC000864227418 1137219259 /nfs/dbraw/zinc/21/92/59/1137219259.db2.gz DZFHEFXRDJVCCJ-GFCCVEGCSA-N -1 0 337.366 3.807 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)CCCc2cccs2)c1 ZINC000864230052 1137219475 /nfs/dbraw/zinc/21/94/75/1137219475.db2.gz ZLDLUDSJPFVQEC-INIZCTEOSA-N -1 0 331.437 3.711 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(C=O)c(C)cc2C)c1 ZINC000794610991 1137220814 /nfs/dbraw/zinc/22/08/14/1137220814.db2.gz WITMFFUZSOKZCB-UHFFFAOYSA-N -1 0 325.364 3.667 20 0 EHADRM Cc1sc(C)c2c1[n-]c(CC(=O)Nc1ccc(C)cc1C)nc2=O ZINC000864356926 1137223644 /nfs/dbraw/zinc/22/36/44/1137223644.db2.gz ZDXWREAAGXAYEI-UHFFFAOYSA-N -1 0 341.436 3.812 20 0 EHADRM CCOc1ccc(-c2nc(CC(=O)[N-]OC[C@@H](C)CC)cs2)cc1 ZINC000794855237 1137300221 /nfs/dbraw/zinc/30/02/21/1137300221.db2.gz YDSOKOOBRLJKBB-ZDUSSCGKSA-N -1 0 348.468 3.845 20 0 EHADRM CCC(CC)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)oc1ccccc12 ZINC000845825522 1137313007 /nfs/dbraw/zinc/31/30/07/1137313007.db2.gz KRAMBFFJPRTDGY-UHFFFAOYSA-N -1 0 345.420 3.827 20 0 EHADRM CCC[C@](C)(CC)C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000845889645 1137318362 /nfs/dbraw/zinc/31/83/62/1137318362.db2.gz WSRRVCCLZKTOMT-HNNXBMFYSA-N -1 0 331.865 3.502 20 0 EHADRM C[C@@H]1CN(C(=O)c2cccc(Cl)c2[O-])CCc2ccc(F)cc21 ZINC000846617759 1137359436 /nfs/dbraw/zinc/35/94/36/1137359436.db2.gz NLLSERUYHQBZRI-LLVKDONJSA-N -1 0 333.790 3.987 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000846709861 1137363209 /nfs/dbraw/zinc/36/32/09/1137363209.db2.gz VTFJOSBPTNIVDE-SNVBAGLBSA-N -1 0 347.333 3.653 20 0 EHADRM O=C(CSc1ccc(O)cc1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000121127966 1137367480 /nfs/dbraw/zinc/36/74/80/1137367480.db2.gz BVWZITBAVDAOCG-UHFFFAOYSA-N -1 0 332.406 3.553 20 0 EHADRM C[C@H](N=c1[n-]c(-c2cc(Cl)cc(Cl)c2)no1)[C@H]1CCCOC1 ZINC000543727011 1137379034 /nfs/dbraw/zinc/37/90/34/1137379034.db2.gz AGPPUMXLPSDTNL-UWVGGRQHSA-N -1 0 342.226 3.692 20 0 EHADRM Cc1[nH]nc2ncc(NC(=O)c3cc(Cl)cc(Cl)c3[O-])cc12 ZINC001148805750 1137435416 /nfs/dbraw/zinc/43/54/16/1137435416.db2.gz SQVBAKJSPNUPQS-UHFFFAOYSA-N -1 0 337.166 3.531 20 0 EHADRM CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000839892807 1137439201 /nfs/dbraw/zinc/43/92/01/1137439201.db2.gz SVZMKHPFMITGDZ-CHWSQXEVSA-N -1 0 345.468 3.569 20 0 EHADRM CSc1nc2ccc([N-]S(=O)(=O)c3ccc(C)o3)cc2s1 ZINC000773226080 1137480425 /nfs/dbraw/zinc/48/04/25/1137480425.db2.gz GWHPPKIOVBIZER-UHFFFAOYSA-N -1 0 340.451 3.720 20 0 EHADRM CCC1(C(=O)Nc2cc(F)cc(C[N-]C(=O)C(F)(F)F)c2)CCC1 ZINC000870769274 1137509600 /nfs/dbraw/zinc/50/96/00/1137509600.db2.gz WTLLDAXVEDPWEF-UHFFFAOYSA-N -1 0 346.324 3.523 20 0 EHADRM Cc1oc(-c2ccccc2)nc1CC(=O)[N-]OCCCC(F)(F)F ZINC000871212032 1137527547 /nfs/dbraw/zinc/52/75/47/1137527547.db2.gz GGBHWVZIQBOPFR-UHFFFAOYSA-N -1 0 342.317 3.583 20 0 EHADRM CC(C)Oc1c(F)cc(F)c(Nc2cc(=O)[n-]c(Cl)n2)c1F ZINC001212643835 1137540042 /nfs/dbraw/zinc/54/00/42/1137540042.db2.gz HUEHVJXEKOABJL-UHFFFAOYSA-N -1 0 333.697 3.784 20 0 EHADRM Cc1ccc(NS(=O)(=O)c2ccc(C3CC3)cc2)c(C)c1C(=O)[O-] ZINC000871775401 1137557922 /nfs/dbraw/zinc/55/79/22/1137557922.db2.gz JNCBGXJUQGOMIK-UHFFFAOYSA-N -1 0 345.420 3.680 20 0 EHADRM Cc1cc(-c2cc(=O)n(-c3ncnc(Cl)c3C(C)C)[n-]2)ccc1F ZINC000871957580 1137563787 /nfs/dbraw/zinc/56/37/87/1137563787.db2.gz XGBGWQIHAFXRHW-UHFFFAOYSA-N -1 0 346.793 3.842 20 0 EHADRM CO[C@@H]1CC[C@H](C)N(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC000872161345 1137574412 /nfs/dbraw/zinc/57/44/12/1137574412.db2.gz RVHPFPRAPHWUHE-BLLLJJGKSA-N -1 0 346.452 3.508 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2C(C)(F)F)c(C)o1 ZINC000872405645 1137579491 /nfs/dbraw/zinc/57/94/91/1137579491.db2.gz PBPQURRRMXXDHA-UHFFFAOYSA-N -1 0 333.331 3.948 20 0 EHADRM CCC[C@H](CC)C(=O)N1CCC(c2nc(C)c(C(=O)[O-])s2)CC1 ZINC000872741495 1137583604 /nfs/dbraw/zinc/58/36/04/1137583604.db2.gz GTJVCERZTNYKHZ-LBPRGKRZSA-N -1 0 338.473 3.682 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1sccc1C(F)F)C1CCCCC1 ZINC000872738785 1137583616 /nfs/dbraw/zinc/58/36/16/1137583616.db2.gz RVZCUTJXDOWAMH-LLVKDONJSA-N -1 0 331.384 3.697 20 0 EHADRM Cc1cccc2cc(C(=O)N3CC[C@]4(C(=O)[O-])CCC[C@H]34)sc21 ZINC000872765508 1137583981 /nfs/dbraw/zinc/58/39/81/1137583981.db2.gz PLMKTWOVHLCRNH-KBXCAEBGSA-N -1 0 329.421 3.679 20 0 EHADRM Cc1ccc2c(C(=O)N3CC[C@]4(C(=O)[O-])CCC[C@H]34)csc2c1 ZINC000872765930 1137583990 /nfs/dbraw/zinc/58/39/90/1137583990.db2.gz JXONATPYJUYOAV-MAUKXSAKSA-N -1 0 329.421 3.679 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)[C@H]1C[C@H]1c1cccc3ccccc31)CC2 ZINC000872767147 1137584117 /nfs/dbraw/zinc/58/41/17/1137584117.db2.gz MSOPEWNSSHWFEI-VWNVYAMZSA-N -1 0 349.430 3.799 20 0 EHADRM CC(C)Sc1ccccc1C(=O)N1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000872768171 1137584134 /nfs/dbraw/zinc/58/41/34/1137584134.db2.gz DYPGUZXEXVRSEM-MAUKXSAKSA-N -1 0 333.453 3.657 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H]1C(=O)Nc1ccc(-c2ccccc2)cc1F ZINC000872834067 1137585280 /nfs/dbraw/zinc/58/52/80/1137585280.db2.gz CDUGKUCBLXQQQZ-HUUCEWRRSA-N -1 0 327.355 3.932 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)[C@@](C)(CC(=O)[O-])c2ccc(F)cc2)s1 ZINC000872838660 1137585354 /nfs/dbraw/zinc/58/53/54/1137585354.db2.gz HHGATRMJBSFRKJ-XIKOKIGWSA-N -1 0 349.427 3.805 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCC[C@@H]3C(=O)[O-])cc2)nc1 ZINC000872845160 1137585421 /nfs/dbraw/zinc/58/54/21/1137585421.db2.gz MMIVXQQVNGYOQD-CVEARBPZSA-N -1 0 340.379 3.622 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCC[C@H]3C(=O)[O-])cc2)nc1 ZINC000872845167 1137585492 /nfs/dbraw/zinc/58/54/92/1137585492.db2.gz MMIVXQQVNGYOQD-JKSUJKDBSA-N -1 0 340.379 3.622 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000872851336 1137585558 /nfs/dbraw/zinc/58/55/58/1137585558.db2.gz WFUAVKPPDDSOSN-UHFFFAOYSA-N -1 0 349.374 3.716 20 0 EHADRM Cc1ccc(C)c(C(=O)NCC[C@]2(C)CC2(Cl)Cl)c1C(=O)[O-] ZINC000872871840 1137585891 /nfs/dbraw/zinc/58/58/91/1137585891.db2.gz ITTQXINKONNKJW-OAHLLOKOSA-N -1 0 344.238 3.705 20 0 EHADRM CC(C)n1cc2cc(NC(=O)C3=C(C(=O)[O-])CCCC3)ccc2n1 ZINC000872931577 1137586738 /nfs/dbraw/zinc/58/67/38/1137586738.db2.gz HIMLBGJFSNCIIL-UHFFFAOYSA-N -1 0 327.384 3.511 20 0 EHADRM Cc1ccc(C)c(C(=O)N[C@@H]2CC=CC[C@H]2C(F)(F)F)c1C(=O)[O-] ZINC000873000448 1137587723 /nfs/dbraw/zinc/58/77/23/1137587723.db2.gz YOVXLXNZCUZADS-VXGBXAGGSA-N -1 0 341.329 3.629 20 0 EHADRM O=C(CCCc1ccc(O)c(F)c1)OCc1scnc1Cl ZINC000873380994 1137598647 /nfs/dbraw/zinc/59/86/47/1137598647.db2.gz UMTPSULTIPQFCQ-UHFFFAOYSA-N -1 0 329.780 3.707 20 0 EHADRM CC1(C)[C@H](NC(=O)c2cc(Cl)cc(Cl)c2[O-])[C@@H]2CCCO[C@H]21 ZINC001137082138 1137621893 /nfs/dbraw/zinc/62/18/93/1137621893.db2.gz QCKUZNZZWWYQON-CUOATXAZSA-N -1 0 344.238 3.632 20 0 EHADRM Cc1cc(OC(F)F)ccc1-c1ccc(OCC(=O)[O-])c(C=O)c1 ZINC000874970017 1137627283 /nfs/dbraw/zinc/62/72/83/1137627283.db2.gz YJPCIGRZIUXCFB-UHFFFAOYSA-N -1 0 336.290 3.539 20 0 EHADRM O=Cc1ccc(-c2cccc(-n3nc(C(=O)[O-])c4c3CCC4)c2)cc1 ZINC000874971287 1137627297 /nfs/dbraw/zinc/62/72/97/1137627297.db2.gz YXWSMUMQOHVWQS-UHFFFAOYSA-N -1 0 332.359 3.539 20 0 EHADRM Cc1cc(Br)cc2cc(C(=O)Nc3cncc(O)c3)[nH]c21 ZINC001153962794 1137633058 /nfs/dbraw/zinc/63/30/58/1137633058.db2.gz IDWAWDDKBBGEHS-UHFFFAOYSA-N -1 0 346.184 3.592 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1nc2ccccc2s1 ZINC000126707057 1137688707 /nfs/dbraw/zinc/68/87/07/1137688707.db2.gz UYWOUSSTQXODHS-UHFFFAOYSA-N -1 0 327.390 3.979 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1ncsc1C1CC1 ZINC000882772055 1137833863 /nfs/dbraw/zinc/83/38/63/1137833863.db2.gz DUUOJBUIDUARAU-UHFFFAOYSA-N -1 0 326.468 3.543 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ncsc2C2CC2)cc1Cl ZINC000882770876 1137833916 /nfs/dbraw/zinc/83/39/16/1137833916.db2.gz FPDUCTXLTAKHNN-UHFFFAOYSA-N -1 0 328.846 3.783 20 0 EHADRM CC1(c2cccc(CNCc3cccc(O)c3Cl)c2)OCCO1 ZINC000883128319 1137845628 /nfs/dbraw/zinc/84/56/28/1137845628.db2.gz BLXWBOGZLFFRKG-UHFFFAOYSA-N -1 0 333.815 3.555 20 0 EHADRM CCC(C)(CC)C(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000131712425 1137859301 /nfs/dbraw/zinc/85/93/01/1137859301.db2.gz BJXOPYOVZZCPEN-UHFFFAOYSA-N -1 0 344.285 3.686 20 0 EHADRM Cc1cccc(S([O-])=CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)c1 ZINC000108102486 1137888640 /nfs/dbraw/zinc/88/86/40/1137888640.db2.gz SARYYNPTVDIPFE-QMHKHESXSA-N -1 0 329.465 3.597 20 0 EHADRM CCCc1nc(=NC(=O)N2C[C@H](C)C[C@H]2c2ccccc2F)s[n-]1 ZINC000331466609 1137909500 /nfs/dbraw/zinc/90/95/00/1137909500.db2.gz CBBFVZBCAYPHCQ-RISCZKNCSA-N -1 0 348.447 3.667 20 0 EHADRM CCCc1nc(=NC(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2F)s[n-]1 ZINC000331466613 1137909570 /nfs/dbraw/zinc/90/95/70/1137909570.db2.gz CBBFVZBCAYPHCQ-SMDDNHRTSA-N -1 0 348.447 3.667 20 0 EHADRM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)Nc1cc(F)ccc1F ZINC001202660005 1137909636 /nfs/dbraw/zinc/90/96/36/1137909636.db2.gz RSBXRJHXBLJNCT-UHFFFAOYSA-N -1 0 330.294 3.500 20 0 EHADRM CCCc1nc(=NC(=O)N2CC[C@@H](C)[C@@H]2c2cccc(F)c2)s[n-]1 ZINC000331474703 1137909698 /nfs/dbraw/zinc/90/96/98/1137909698.db2.gz DHLCQAVDMAUZAX-IAQYHMDHSA-N -1 0 348.447 3.667 20 0 EHADRM CCc1ccc([C@@H]2CCCN2C(=O)N=c2[n-]nc(CC(C)C)s2)o1 ZINC000331534604 1137911759 /nfs/dbraw/zinc/91/17/59/1137911759.db2.gz HJJVYGTXFIJZGM-ZDUSSCGKSA-N -1 0 348.472 3.683 20 0 EHADRM CCOc1cc(-c2noc(CC3CC3)n2)cc(Br)c1O ZINC000113709614 1137914428 /nfs/dbraw/zinc/91/44/28/1137914428.db2.gz YCBYKZKVFXOENH-UHFFFAOYSA-N -1 0 339.189 3.556 20 0 EHADRM Cc1c(=O)[n-]n(-c2ccccc2)c1NC(=O)Nc1cc(F)ccc1F ZINC001202668113 1137915197 /nfs/dbraw/zinc/91/51/97/1137915197.db2.gz OOBRVDSWZHUJDW-UHFFFAOYSA-N -1 0 344.321 3.809 20 0 EHADRM CC1(C)CCN(C(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)C1 ZINC000332165345 1137934112 /nfs/dbraw/zinc/93/41/12/1137934112.db2.gz JWTWFSADZWXMSN-UHFFFAOYSA-N -1 0 336.848 3.544 20 0 EHADRM COc1ccc([C@@H]2CCCN2C(=O)c2c([O-])cccc2F)cc1OC ZINC000118974145 1137936907 /nfs/dbraw/zinc/93/69/07/1137936907.db2.gz AWFVKIAQSBXXBO-AWEZNQCLSA-N -1 0 345.370 3.526 20 0 EHADRM CC(=O)c1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@@H](C)C2)cc1O ZINC000332380679 1137942178 /nfs/dbraw/zinc/94/21/78/1137942178.db2.gz GNLWAHWPYTWFIL-KSSFIOAISA-N -1 0 337.419 3.861 20 0 EHADRM COC1(CC(=O)Nc2cc(Cl)cc(Br)c2[O-])CCC1 ZINC000332436884 1137943967 /nfs/dbraw/zinc/94/39/67/1137943967.db2.gz CPAHGHBHWMKPDV-UHFFFAOYSA-N -1 0 348.624 3.706 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(SC(F)F)nc2)s1 ZINC000135248367 1137964939 /nfs/dbraw/zinc/96/49/39/1137964939.db2.gz JZMUKCMEXVDFCM-UHFFFAOYSA-N -1 0 336.410 3.567 20 0 EHADRM CCSCc1cccnc1[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000886444935 1138078749 /nfs/dbraw/zinc/07/87/49/1138078749.db2.gz PXLBRZGWMLOBLK-UHFFFAOYSA-N -1 0 342.511 3.814 20 0 EHADRM CCc1noc(CC)c1CNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000088201987 1138191600 /nfs/dbraw/zinc/19/16/00/1138191600.db2.gz DXJNWLDYMOGJJS-UHFFFAOYSA-N -1 0 331.397 3.533 20 0 EHADRM CC(C)Sc1ccccc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000887308059 1138260439 /nfs/dbraw/zinc/26/04/39/1138260439.db2.gz YMJHPYHODJRFBR-KOZAUXTDSA-N -1 0 331.437 3.649 20 0 EHADRM O=S(=O)([N-]c1cccc(Cl)c1)c1c(Cl)nc2sccn21 ZINC000037555320 1138264106 /nfs/dbraw/zinc/26/41/06/1138264106.db2.gz WCTOJNMJFIVHFG-UHFFFAOYSA-N -1 0 348.236 3.503 20 0 EHADRM COc1cccc(NC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)c1OC ZINC000887318911 1138264426 /nfs/dbraw/zinc/26/44/26/1138264426.db2.gz FWPVBVSAPGXZKE-LJQANCHMSA-N -1 0 349.427 3.704 20 0 EHADRM CCC(=O)c1ccc(C(=O)N=c2[n-]nc(C(CC)CC)s2)cc1 ZINC000348416658 1138283962 /nfs/dbraw/zinc/28/39/62/1138283962.db2.gz DNJZAWHVDQAVIK-UHFFFAOYSA-N -1 0 331.441 3.709 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1cn(C)nc1C1CCCCC1 ZINC000333454479 1138292612 /nfs/dbraw/zinc/29/26/12/1138292612.db2.gz SLEVLJUSZDHRLI-UHFFFAOYSA-N -1 0 339.486 3.639 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC000887382307 1138293871 /nfs/dbraw/zinc/29/38/71/1138293871.db2.gz CSAVYQCFGJMTKR-RISCZKNCSA-N -1 0 348.296 3.731 20 0 EHADRM CCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(C)s3)c2C1 ZINC000263870851 1138384058 /nfs/dbraw/zinc/38/40/58/1138384058.db2.gz ZAZPNRRKAFFAEJ-UHFFFAOYSA-N -1 0 336.482 3.583 20 0 EHADRM Cc1cc(C)cc(CS(=O)(=O)[N-]c2nc(-c3ccco3)cs2)c1 ZINC000337127103 1138472893 /nfs/dbraw/zinc/47/28/93/1138472893.db2.gz GJQMRGCYCFPTBC-UHFFFAOYSA-N -1 0 348.449 3.962 20 0 EHADRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccccc1SC(C)C ZINC000348441507 1138479995 /nfs/dbraw/zinc/47/99/95/1138479995.db2.gz LDPDLVBMHKGALV-UHFFFAOYSA-N -1 0 326.443 3.593 20 0 EHADRM CC[C@@H](NC(=O)CC1(C(=O)[O-])CCCCCC1)c1nc(C)cs1 ZINC000264380598 1138494820 /nfs/dbraw/zinc/49/48/20/1138494820.db2.gz ODRVZUDVDUVILX-CYBMUJFWSA-N -1 0 338.473 3.834 20 0 EHADRM CO[C@H](C)c1nc(=N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)s[n-]1 ZINC000337786339 1138667683 /nfs/dbraw/zinc/66/76/83/1138667683.db2.gz BMBBHWOXGJIGKM-BXKDBHETSA-N -1 0 337.420 3.521 20 0 EHADRM O=C(NCC1(c2ccccc2)CCCC1)c1s[n-]c(=O)c1Cl ZINC000283019542 1138776610 /nfs/dbraw/zinc/77/66/10/1138776610.db2.gz QFOYRKHWFNWZMT-UHFFFAOYSA-N -1 0 336.844 3.744 20 0 EHADRM CCc1nc(CC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)cs1 ZINC000152126841 1139075156 /nfs/dbraw/zinc/07/51/56/1139075156.db2.gz UWDWCIVQXFQCHR-UHFFFAOYSA-N -1 0 344.358 3.515 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N(C)CC1CCCCC1)C(=O)[O-] ZINC000177951207 1139657996 /nfs/dbraw/zinc/65/79/96/1139657996.db2.gz CYDJIJNUMVPQHX-ZDUSSCGKSA-N -1 0 335.469 3.904 20 0 EHADRM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C1 ZINC000180017075 1139802049 /nfs/dbraw/zinc/80/20/49/1139802049.db2.gz PDYVGDZPNDMVAK-NCOADZHNSA-N -1 0 329.440 3.590 20 0 EHADRM Cc1ccccc1C1(CNC(=O)c2cc(F)c(F)c([O-])c2F)CC1 ZINC000183543728 1140045785 /nfs/dbraw/zinc/04/57/85/1140045785.db2.gz JRTJWTNLQNVNMV-UHFFFAOYSA-N -1 0 335.325 3.580 20 0 EHADRM O=C(C[C@H]1CCCN1C(=O)c1c([O-])cccc1F)c1ccc(F)cc1 ZINC000185317571 1140144244 /nfs/dbraw/zinc/14/42/44/1140144244.db2.gz NYTHNDPLAASAMS-CQSZACIVSA-N -1 0 345.345 3.548 20 0 EHADRM CCCCCC[C@](C)(NC(=O)c1occc1Br)C(=O)[O-] ZINC000191145858 1140439781 /nfs/dbraw/zinc/43/97/81/1140439781.db2.gz WQKYTYOFLYVBTF-AWEZNQCLSA-N -1 0 346.221 3.586 20 0 EHADRM O=C([O-])C1CCC(C(=O)NCC2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000194408645 1140608804 /nfs/dbraw/zinc/60/88/04/1140608804.db2.gz IHZINRUMXBLENV-UHFFFAOYSA-N -1 0 349.858 3.769 20 0 EHADRM O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)c1cc(F)c([O-])c(Cl)c1 ZINC000194547528 1140613439 /nfs/dbraw/zinc/61/34/39/1140613439.db2.gz HDFPQLUANUZWRD-HZPDHXFCSA-N -1 0 349.789 3.835 20 0 EHADRM CSc1nc(NC(=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000266891155 1140735051 /nfs/dbraw/zinc/73/50/51/1140735051.db2.gz AQMOPQGNQQHYJA-LURJTMIESA-N -1 0 331.228 3.576 20 0 EHADRM CC(C)CN(C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)C1CCCC1 ZINC000268770067 1140987113 /nfs/dbraw/zinc/98/71/13/1140987113.db2.gz XXUOICJSFUBQBV-UHFFFAOYSA-N -1 0 345.468 3.665 20 0 EHADRM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C)s3)n[nH]2)s1 ZINC000350657031 1141017345 /nfs/dbraw/zinc/01/73/45/1141017345.db2.gz NTJCHOFPHUYFJU-UHFFFAOYSA-N -1 0 339.467 3.617 20 0 EHADRM CC(C)[C@H](SCc1ccccc1)C(=O)NCCCCCC(=O)[O-] ZINC000268978328 1141037974 /nfs/dbraw/zinc/03/79/74/1141037974.db2.gz LADAAOQCILNBNW-KRWDZBQOSA-N -1 0 337.485 3.706 20 0 EHADRM C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)CC(C)(C)C(=O)[O-] ZINC000270891832 1141280754 /nfs/dbraw/zinc/28/07/54/1141280754.db2.gz PFOXROBLYWWVTM-QWRGUYRKSA-N -1 0 345.361 3.815 20 0 EHADRM C[C@@H](N=c1[n-]nc(-c2ccccc2)s1)c1ccc([S@@](C)=O)cc1 ZINC000339216280 1141530767 /nfs/dbraw/zinc/53/07/67/1141530767.db2.gz KVKJFGMHLZFFJL-SFDCACGMSA-N -1 0 343.477 3.538 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@@H]2CC[C@@H](C)[C@H](C)C2)n1 ZINC001296171853 1141589865 /nfs/dbraw/zinc/58/98/65/1141589865.db2.gz URMKELAYHNTMAV-LALPHHSUSA-N -1 0 345.418 3.580 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)n1 ZINC001296171854 1141589989 /nfs/dbraw/zinc/58/99/89/1141589989.db2.gz URMKELAYHNTMAV-SLEUVZQESA-N -1 0 345.418 3.580 20 0 EHADRM CCn1cc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2)nc1C ZINC000348887578 1141604218 /nfs/dbraw/zinc/60/42/18/1141604218.db2.gz OESNANPHPWSGDY-UHFFFAOYSA-N -1 0 341.436 3.679 20 0 EHADRM CCn1cc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)nc1C ZINC000348908974 1141607884 /nfs/dbraw/zinc/60/78/84/1141607884.db2.gz QBDGTPVCUMGNBZ-UHFFFAOYSA-N -1 0 341.436 3.679 20 0 EHADRM O=C(NC1(Cc2ccccc2)CCCC1)c1s[n-]c(=O)c1Cl ZINC000283443160 1141626332 /nfs/dbraw/zinc/62/63/32/1141626332.db2.gz NLJMYKGHEMQPSN-UHFFFAOYSA-N -1 0 336.844 3.787 20 0 EHADRM CCc1cccc(Cl)c1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[nH]1 ZINC000349109608 1141640858 /nfs/dbraw/zinc/64/08/58/1141640858.db2.gz NLBCZRHMUDCYOC-BQYQJAHWSA-N -1 0 332.787 3.504 20 0 EHADRM CN(Cc1csc(Br)c1)Cc1ccsc1C(=O)[O-] ZINC000104334313 219375226 /nfs/dbraw/zinc/37/52/26/219375226.db2.gz SFAOFOMBCCXTMW-UHFFFAOYSA-N -1 0 346.271 3.902 20 0 EHADRM O=C([O-])c1sccc1NC(=O)c1csc(Br)c1 ZINC000037451857 213147971 /nfs/dbraw/zinc/14/79/71/213147971.db2.gz PKAJAYVCCAMAHS-UHFFFAOYSA-N -1 0 332.200 3.523 20 0 EHADRM CN(CC(=O)[O-])c1ncnc2cc(-c3ccc(Cl)cc3)sc21 ZINC000072124603 216016738 /nfs/dbraw/zinc/01/67/38/216016738.db2.gz TVTJYECOKPXFCR-UHFFFAOYSA-N -1 0 333.800 3.533 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2c(C)cccc2C)c1 ZINC000023371406 212372213 /nfs/dbraw/zinc/37/22/13/212372213.db2.gz QKWQEKPUTUSQCC-UHFFFAOYSA-N -1 0 326.421 3.961 20 0 EHADRM Clc1ccccc1Sc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000737582580 598934948 /nfs/dbraw/zinc/93/49/48/598934948.db2.gz DTTWGRDQMSMNPC-UHFFFAOYSA-N -1 0 340.799 3.615 20 0 EHADRM Cc1ccc(Oc2c3ccccc3nnc2-c2nnn[n-]2)c(Cl)c1 ZINC000737366844 598974192 /nfs/dbraw/zinc/97/41/92/598974192.db2.gz XEZQJWBAOSAIJR-UHFFFAOYSA-N -1 0 338.758 3.564 20 0 EHADRM O=C([O-])c1sccc1NC(=O)CSCc1ccccc1Cl ZINC000739336135 599803995 /nfs/dbraw/zinc/80/39/95/599803995.db2.gz AVVRDAUACILCLL-UHFFFAOYSA-N -1 0 341.841 3.972 20 0 EHADRM Cc1nc(CC(C)C)c(C(=O)Nc2ccccc2CC(=O)[O-])s1 ZINC000818994749 596961236 /nfs/dbraw/zinc/96/12/36/596961236.db2.gz UQSZGKZISUBJKE-UHFFFAOYSA-N -1 0 332.425 3.529 20 0 EHADRM C[C@@H](Sc1nn(-c2ccc(Cl)cc2)c(=S)s1)C(=O)[O-] ZINC000739051402 597049668 /nfs/dbraw/zinc/04/96/68/597049668.db2.gz FDCMSVKNUMHGIH-ZCFIWIBFSA-N -1 0 332.859 3.882 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)CCSc2ccc(Cl)cc2)C1 ZINC000314997289 597102687 /nfs/dbraw/zinc/10/26/87/597102687.db2.gz FSXPYCQSCLJRDA-LBPRGKRZSA-N -1 0 341.860 3.536 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)Nc2cc(C(F)(F)F)ccc2F)C1 ZINC000325095041 597119362 /nfs/dbraw/zinc/11/93/62/597119362.db2.gz OIBMVTJRZZSIRN-VIFPVBQESA-N -1 0 348.296 3.563 20 0 EHADRM O=C([O-])Cc1cccc(NCc2cccc(OCC(F)(F)F)c2)c1 ZINC000738631069 597128565 /nfs/dbraw/zinc/12/85/65/597128565.db2.gz YZBYLXSJZGNVIA-UHFFFAOYSA-N -1 0 339.313 3.867 20 0 EHADRM O=C([O-])CCCCCNC(=S)Nc1ccc(Cl)cc1Cl ZINC000243024229 597163421 /nfs/dbraw/zinc/16/34/21/597163421.db2.gz HZDNSSQNUZWUOJ-UHFFFAOYSA-N -1 0 335.256 3.925 20 0 EHADRM CC(C)OCc1ccc(NC(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000817919214 597173870 /nfs/dbraw/zinc/17/38/70/597173870.db2.gz QQAMHOKSARWQHP-UHFFFAOYSA-N -1 0 342.395 3.632 20 0 EHADRM Cc1ccccc1[C@@H]1CCN(C(=O)Nc2cccc(CC(=O)[O-])c2)C1 ZINC000738323999 597190494 /nfs/dbraw/zinc/19/04/94/597190494.db2.gz CMZJYCZACZSWLI-MRXNPFEDSA-N -1 0 338.407 3.644 20 0 EHADRM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NCCCCCC(=O)[O-] ZINC000315764559 597235361 /nfs/dbraw/zinc/23/53/61/597235361.db2.gz UGJFEUFYLWQQEP-LBPRGKRZSA-N -1 0 326.824 3.687 20 0 EHADRM CC(C)N(Cc1cccc(F)c1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263401912 597300059 /nfs/dbraw/zinc/30/00/59/597300059.db2.gz SGBJXBIRBWJKOK-UHFFFAOYSA-N -1 0 344.386 3.644 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)C1(c2cccc(F)c2)CCC1 ZINC000819597686 597318766 /nfs/dbraw/zinc/31/87/66/597318766.db2.gz PXQWOJCBEJIMLK-UHFFFAOYSA-N -1 0 327.355 3.513 20 0 EHADRM C[C@@H](NC(=O)Nc1ccccc1CC(=O)[O-])c1ccc(Cl)cc1 ZINC000320121989 597320781 /nfs/dbraw/zinc/32/07/81/597320781.db2.gz IXOSRKRPLCLLOO-LLVKDONJSA-N -1 0 332.787 3.850 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Nc2ccc(-c3ncco3)cc2)c1 ZINC000821539062 598089239 /nfs/dbraw/zinc/08/92/39/598089239.db2.gz YRDCFFAZYYDVGD-UHFFFAOYSA-N -1 0 337.335 3.613 20 0 EHADRM O=C([O-])CCCCNC(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000237930622 598165350 /nfs/dbraw/zinc/16/53/50/598165350.db2.gz LWBKGBFIGWOWJV-UHFFFAOYSA-N -1 0 344.392 3.541 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)C1 ZINC000821515336 598172623 /nfs/dbraw/zinc/17/26/23/598172623.db2.gz FFJUNYLXDCXTCD-VIFPVBQESA-N -1 0 349.736 3.686 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N1CCCCC[C@@H]1c1ccncc1 ZINC000821553767 598179295 /nfs/dbraw/zinc/17/92/95/598179295.db2.gz PXIUCVCNCMESAX-QGZVFWFLSA-N -1 0 339.395 3.929 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)N(C)CCc1cccc2ccccc21 ZINC000736414341 599701602 /nfs/dbraw/zinc/70/16/02/599701602.db2.gz HKSADGATLRDHQD-GOSISDBHSA-N -1 0 342.439 3.523 20 0 EHADRM CC(C)(NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1)c1ccccc1 ZINC000736325071 599713050 /nfs/dbraw/zinc/71/30/50/599713050.db2.gz VVDGDDVCVSHOJG-UHFFFAOYSA-N -1 0 331.347 3.972 20 0 EHADRM CC(C)CC[C@@H](NC(=O)CCNC(=O)[O-])c1ccc(Cl)cc1 ZINC000736429402 599723238 /nfs/dbraw/zinc/72/32/38/599723238.db2.gz VQJLNMKKKRYCQP-CQSZACIVSA-N -1 0 326.824 3.591 20 0 EHADRM CCCc1ccc([C@@H](NC(=O)CCCN(C)C(=O)[O-])C(C)C)cc1 ZINC000737044380 599729639 /nfs/dbraw/zinc/72/96/39/599729639.db2.gz CVXDUTVTKSMQEJ-SFHVURJKSA-N -1 0 334.460 3.842 20 0 EHADRM CC(=O)Nc1c(C)cccc1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000736156226 599730102 /nfs/dbraw/zinc/73/01/02/599730102.db2.gz SYRHUFVXIMPPBZ-UHFFFAOYSA-N -1 0 346.770 3.557 20 0 EHADRM CCN(Cc1ccc2ccccc2c1)C(=O)CCCN(C)C(=O)[O-] ZINC000737103218 599731572 /nfs/dbraw/zinc/73/15/72/599731572.db2.gz BXJHNJFLMRFMQB-UHFFFAOYSA-N -1 0 328.412 3.578 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccnc2Oc2ccccc2)s1 ZINC000740115320 599733326 /nfs/dbraw/zinc/73/33/26/599733326.db2.gz SAPOMLISEFCXHM-UHFFFAOYSA-N -1 0 340.360 3.886 20 0 EHADRM CN(CCCC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1)C(=O)[O-] ZINC000737423318 599734424 /nfs/dbraw/zinc/73/44/24/599734424.db2.gz UIIIRNXOHIHKJZ-QGZVFWFLSA-N -1 0 336.407 3.563 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)Oc2cc(OC)ccc2C(=O)[O-])cc1 ZINC000737257890 599744515 /nfs/dbraw/zinc/74/45/15/599744515.db2.gz RXCAOEMEERXNNB-GFCCVEGCSA-N -1 0 328.364 3.665 20 0 EHADRM Cc1nc(CC(C)C)sc1C(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000343091228 599744653 /nfs/dbraw/zinc/74/46/53/599744653.db2.gz LBENILKSALGWKU-AWEZNQCLSA-N -1 0 346.452 3.596 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000236946636 599745431 /nfs/dbraw/zinc/74/54/31/599745431.db2.gz URSXLXNHDVCSQO-FZKQIMNGSA-N -1 0 343.398 3.824 20 0 EHADRM CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CCSCC(=O)[O-])cc1 ZINC000736298872 599747726 /nfs/dbraw/zinc/74/77/26/599747726.db2.gz WIALHYPMMZBXQI-INIZCTEOSA-N -1 0 349.496 3.856 20 0 EHADRM O=C([O-])NCCCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000739954865 599748454 /nfs/dbraw/zinc/74/84/54/599748454.db2.gz VSUUOAAMEMKITP-CYBMUJFWSA-N -1 0 345.226 3.705 20 0 EHADRM O=C([O-])NCCCC(=O)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000739953305 599751001 /nfs/dbraw/zinc/75/10/01/599751001.db2.gz KJHFCNBFLNUQSL-QGZVFWFLSA-N -1 0 326.396 3.551 20 0 EHADRM C[C@@H](OC(=O)[C@]1(C)CCCc2ccccc21)c1ccc(C(=O)[O-])o1 ZINC000736687127 599751405 /nfs/dbraw/zinc/75/14/05/599751405.db2.gz UWGCRYCSSXVVPB-CWTRNNRKSA-N -1 0 328.364 3.876 20 0 EHADRM CN(C(=O)CCSCC(=O)[O-])c1ccccc1Oc1ccccc1 ZINC000737319372 599753028 /nfs/dbraw/zinc/75/30/28/599753028.db2.gz IOPRXAXIYWDGMU-UHFFFAOYSA-N -1 0 345.420 3.650 20 0 EHADRM CC(C)(C)Sc1ccc(NC(=O)CCSCC(=O)[O-])cc1 ZINC000736288601 599756247 /nfs/dbraw/zinc/75/62/47/599756247.db2.gz VLCNZWQXRYGQSL-UHFFFAOYSA-N -1 0 327.471 3.724 20 0 EHADRM CCCCc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(OC)cc2)cc1 ZINC000678984272 599758015 /nfs/dbraw/zinc/75/80/15/599758015.db2.gz WOQQQPXVGQTHEV-GOSISDBHSA-N -1 0 341.407 3.594 20 0 EHADRM Cc1cccc(OCCC(=O)Nc2ccc(CCC(=O)[O-])cc2)c1C ZINC000237704171 599769827 /nfs/dbraw/zinc/76/98/27/599769827.db2.gz IUMTYPAMZQAWTD-UHFFFAOYSA-N -1 0 341.407 3.728 20 0 EHADRM C/C(=C/C(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000236672342 599771365 /nfs/dbraw/zinc/77/13/65/599771365.db2.gz KKBSOKKYHQTFMH-SEYXRHQNSA-N -1 0 327.355 3.885 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2ccccc2OCC2CC2)cc1 ZINC000238051175 599772162 /nfs/dbraw/zinc/77/21/62/599772162.db2.gz KKQBJYRUCXPGKX-UHFFFAOYSA-N -1 0 339.391 3.745 20 0 EHADRM C[C@]1(C(=O)Nc2ccc(CCC(=O)[O-])cc2)CCCc2ccccc21 ZINC000237601224 599772417 /nfs/dbraw/zinc/77/24/17/599772417.db2.gz KEKOJXPMZVRDLK-NRFANRHFSA-N -1 0 337.419 3.937 20 0 EHADRM C[C@H](CNC(=O)c1sc2cccc(Cl)c2c1Cl)C(=O)[O-] ZINC000736604423 599774061 /nfs/dbraw/zinc/77/40/61/599774061.db2.gz QHHLJWNMISWWIA-ZCFIWIBFSA-N -1 0 332.208 3.659 20 0 EHADRM C[C@@H](CNC(=O)c1sc2cccc(Cl)c2c1Cl)C(=O)[O-] ZINC000736604422 599774145 /nfs/dbraw/zinc/77/41/45/599774145.db2.gz QHHLJWNMISWWIA-LURJTMIESA-N -1 0 332.208 3.659 20 0 EHADRM C[C@@H](CNc1nc(C2CC2)nc2sc3c(c21)CCCC3)C(=O)[O-] ZINC000736606684 599783265 /nfs/dbraw/zinc/78/32/65/599783265.db2.gz IFNZRAQCZYQTAR-VIFPVBQESA-N -1 0 331.441 3.580 20 0 EHADRM O=C([O-])[C@H](NCc1csc(-c2ccccc2F)n1)c1ccccc1 ZINC000739506259 599786425 /nfs/dbraw/zinc/78/64/25/599786425.db2.gz XJVUNPCLLWNZJQ-MRXNPFEDSA-N -1 0 342.395 3.865 20 0 EHADRM Cc1oc(-c2cccs2)nc1COC(=O)c1ccccc1C(=O)[O-] ZINC000738956946 599788387 /nfs/dbraw/zinc/78/83/87/599788387.db2.gz XFQKAJIDHJUOFJ-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM O=C([O-])c1ccccc1C(=O)OCc1coc(-c2cccc(F)c2)n1 ZINC000740238978 599789704 /nfs/dbraw/zinc/78/97/04/599789704.db2.gz CRPZCZUWJAOCLV-UHFFFAOYSA-N -1 0 341.294 3.536 20 0 EHADRM CC(=O)c1[nH]c(CC(=O)OCCCC2CCCCC2)c(C(=O)[O-])c1C ZINC000736179797 599790010 /nfs/dbraw/zinc/79/00/10/599790010.db2.gz MNVCDGCOLYHEDL-UHFFFAOYSA-N -1 0 349.427 3.670 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cs1 ZINC000738351146 599793460 /nfs/dbraw/zinc/79/34/60/599793460.db2.gz ZCKSSZAHFJXXMW-SSDOTTSWSA-N -1 0 339.804 3.686 20 0 EHADRM COc1cc(Cl)ccc1CNC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000737888720 599794265 /nfs/dbraw/zinc/79/42/65/599794265.db2.gz GYCOFPXCZVGDKJ-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM O=C([O-])c1coc(CSc2nc(C3CC3)n(-c3ccccc3)n2)c1 ZINC000740269600 599803183 /nfs/dbraw/zinc/80/31/83/599803183.db2.gz PFODASHNUMTOTL-UHFFFAOYSA-N -1 0 341.392 3.728 20 0 EHADRM CC(C)[C@@H](NC(=O)[O-])C(=O)OCc1ccc(-c2ccccc2)cc1 ZINC000736380295 599808672 /nfs/dbraw/zinc/80/86/72/599808672.db2.gz QHTWNOZPCYSMTL-QGZVFWFLSA-N -1 0 327.380 3.689 20 0 EHADRM CC[C@](C)(NC(=O)c1cc(C)c(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC000346027453 599811611 /nfs/dbraw/zinc/81/16/11/599811611.db2.gz OBMDGLKLGLTSNS-KRWDZBQOSA-N -1 0 335.400 3.846 20 0 EHADRM COc1ccc(C(=O)Oc2ccc(Cl)cc2C(=O)[O-])c(Cl)c1 ZINC000737948882 599819111 /nfs/dbraw/zinc/81/91/11/599819111.db2.gz SVOZVWUQVBZBHY-UHFFFAOYSA-N -1 0 341.146 3.919 20 0 EHADRM Cc1ccccc1OCCCNC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000738785841 599819753 /nfs/dbraw/zinc/81/97/53/599819753.db2.gz XEZNTBGOKRRYON-UHFFFAOYSA-N -1 0 343.383 3.676 20 0 EHADRM CC[C@@H](C)N(C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000736882277 599820604 /nfs/dbraw/zinc/82/06/04/599820604.db2.gz FNGSPTJEFLGJNU-SECBINFHSA-N -1 0 348.321 3.588 20 0 EHADRM Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000738669849 599823854 /nfs/dbraw/zinc/82/38/54/599823854.db2.gz JWVVFOQYKPLESI-GOSISDBHSA-N -1 0 338.407 3.821 20 0 EHADRM Cc1cccc(COc2cccc(C(=O)N(C)C(C)(C)C(=O)[O-])c2)c1 ZINC000262368521 599825577 /nfs/dbraw/zinc/82/55/77/599825577.db2.gz AKNHUTGERRHHRY-UHFFFAOYSA-N -1 0 341.407 3.509 20 0 EHADRM Cc1ccccc1CN(C)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000325498018 599825580 /nfs/dbraw/zinc/82/55/80/599825580.db2.gz LTQOIHKTPZSUJC-UHFFFAOYSA-N -1 0 326.396 3.676 20 0 EHADRM CN(CCc1ccc(F)cc1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000737447052 599829435 /nfs/dbraw/zinc/82/94/35/599829435.db2.gz HQYAGTXBCQNIFG-UHFFFAOYSA-N -1 0 344.386 3.549 20 0 EHADRM CCCCOc1ccc(/C=C(/C(=O)[O-])c2ccncc2)cc1OC ZINC000737000228 599831086 /nfs/dbraw/zinc/83/10/86/599831086.db2.gz XCPTXHYRBMPRGY-FOWTUZBSSA-N -1 0 327.380 3.894 20 0 EHADRM CCOc1cc(/C=C(\C(=O)[O-])c2ccncc2)cc(Cl)c1OC ZINC000737192712 599831162 /nfs/dbraw/zinc/83/11/62/599831162.db2.gz YJGGENSOVJSPSJ-JYRVWZFOSA-N -1 0 333.771 3.768 20 0 EHADRM C[C@@H](CC(=O)N(CC(=O)[O-])Cc1ccc(F)c(F)c1)CC(C)(C)C ZINC000736544736 599832346 /nfs/dbraw/zinc/83/23/46/599832346.db2.gz KLEHIBCSTSCNDS-LBPRGKRZSA-N -1 0 341.398 3.840 20 0 EHADRM CCCCS[C@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000737001681 599834539 /nfs/dbraw/zinc/83/45/39/599834539.db2.gz XURPECPVNYJSRA-SECBINFHSA-N -1 0 327.471 3.795 20 0 EHADRM O=C([O-])c1ccc(OCc2nc(-c3ccsc3)no2)c(Cl)c1 ZINC000314915765 599835261 /nfs/dbraw/zinc/83/52/61/599835261.db2.gz HDXDDHHRIDYINV-UHFFFAOYSA-N -1 0 336.756 3.729 20 0 EHADRM CN(C(=O)c1cc2ccccc2c(Cl)n1)c1ccccc1C(=O)[O-] ZINC000326247507 599838386 /nfs/dbraw/zinc/83/83/86/599838386.db2.gz ZRRSXGGRZAQJBS-UHFFFAOYSA-N -1 0 340.766 3.863 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C)c(F)c2)cc1 ZINC000237352918 599846605 /nfs/dbraw/zinc/84/66/05/599846605.db2.gz PIQGEFICXOCASX-MRXNPFEDSA-N -1 0 347.411 3.802 20 0 EHADRM Cc1cc(OCC(=O)Nc2cccc(F)c2C(=O)[O-])ccc1Cl ZINC000390730736 599847839 /nfs/dbraw/zinc/84/78/39/599847839.db2.gz NGFDSKPOADSEBK-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM Cc1ccccc1-c1cccc([C@H]2NC(=S)NC(C)=C2C(=O)[O-])c1 ZINC000736751737 599849541 /nfs/dbraw/zinc/84/95/41/599849541.db2.gz RZCJRANVRIJLDJ-QGZVFWFLSA-N -1 0 338.432 3.539 20 0 EHADRM Cc1ccccc1CC(C)(C)NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000738325521 599849991 /nfs/dbraw/zinc/84/99/91/599849991.db2.gz QYUPULLMENQALP-UHFFFAOYSA-N -1 0 326.396 3.836 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)nc1 ZINC000190639265 599852167 /nfs/dbraw/zinc/85/21/67/599852167.db2.gz DBHAYDLCIPAUBZ-SFHVURJKSA-N -1 0 349.390 3.629 20 0 EHADRM O=C([O-])c1ccc(NCc2ccccc2Oc2cccc(F)c2)nn1 ZINC000740155806 599855432 /nfs/dbraw/zinc/85/54/32/599855432.db2.gz UTJMYPRBXPQFNW-UHFFFAOYSA-N -1 0 339.326 3.718 20 0 EHADRM CC(C)c1cccc(NC(=O)CNc2ccc(CCC(=O)[O-])cc2)c1 ZINC000736521158 599857358 /nfs/dbraw/zinc/85/73/58/599857358.db2.gz KXKZKOHLUZIQBX-UHFFFAOYSA-N -1 0 340.423 3.878 20 0 EHADRM O=C([O-])c1coc(C(=O)c2cc3cc(Br)ccc3o2)c1 ZINC000740270660 599859111 /nfs/dbraw/zinc/85/91/11/599859111.db2.gz XAKQCCQASXXSLI-UHFFFAOYSA-N -1 0 335.109 3.718 20 0 EHADRM CCc1ccc(C(=O)[C@@H](C)OC(=O)c2ccccc2NC(=O)[O-])cc1 ZINC000737256665 599869944 /nfs/dbraw/zinc/86/99/44/599869944.db2.gz UBLAUVQUHRLLOP-GFCCVEGCSA-N -1 0 341.363 3.767 20 0 EHADRM Cc1cccc(CC(=O)NCc2c3ccccc3sc2C(=O)[O-])c1 ZINC000676018851 599870268 /nfs/dbraw/zinc/87/02/68/599870268.db2.gz OSTXRUVPHOWBBC-UHFFFAOYSA-N -1 0 339.416 3.767 20 0 EHADRM CC[C@@H](CC(=O)O[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C)C(C)C ZINC000736891412 599870980 /nfs/dbraw/zinc/87/09/80/599870980.db2.gz ACEFPYPWIIDUAZ-KGLIPLIRSA-N -1 0 349.427 3.636 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)OCc1cc(C(=O)[O-])co1 ZINC000736714648 599880020 /nfs/dbraw/zinc/88/00/20/599880020.db2.gz YJARTXTVGMMGKE-SECBINFHSA-N -1 0 340.784 3.855 20 0 EHADRM Cc1ccc(-c2nc(C(=O)OCc3cc(C(=O)[O-])co3)cs2)cc1 ZINC000738492936 599881198 /nfs/dbraw/zinc/88/11/98/599881198.db2.gz KJOQXJBNAQAULL-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM O=C([O-])CCCCNC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000666557944 599881678 /nfs/dbraw/zinc/88/16/78/599881678.db2.gz DZAMVMFPSUIBQY-QGZVFWFLSA-N -1 0 343.427 3.659 20 0 EHADRM Cc1ccc(-c2csc(NC(=O)[C@@H](NC(=O)[O-])C(C)C)n2)cc1C ZINC000738488183 599889242 /nfs/dbraw/zinc/88/92/42/599889242.db2.gz JKHHLBZVDXSFNT-AWEZNQCLSA-N -1 0 347.440 3.658 20 0 EHADRM COc1ccc([C@H](NC(=O)c2cccc(NC(=O)[O-])c2)C(C)C)cc1 ZINC000737964394 599898153 /nfs/dbraw/zinc/89/81/53/599898153.db2.gz IZDPIWFXZKFVRB-QGZVFWFLSA-N -1 0 342.395 3.912 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)OCc1cc(C(=O)[O-])c(C)o1 ZINC000738118974 599899072 /nfs/dbraw/zinc/89/90/72/599899072.db2.gz FPFVXWVOBXRBBH-NSHDSACASA-N -1 0 332.352 3.532 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000237250362 599899317 /nfs/dbraw/zinc/89/93/17/599899317.db2.gz MVJHPZDQGUNMEZ-RHSMWYFYSA-N -1 0 341.407 3.521 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000237189764 599900401 /nfs/dbraw/zinc/90/04/01/599900401.db2.gz IDBITZRPYCZZNE-GXTWGEPZSA-N -1 0 347.436 3.583 20 0 EHADRM O=C([O-])c1cccc(C(=O)N(Cc2cscn2)c2ccccc2)c1 ZINC000740212192 599904531 /nfs/dbraw/zinc/90/45/31/599904531.db2.gz DSEFCEZTRHXDQB-UHFFFAOYSA-N -1 0 338.388 3.688 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2nc(-c3ccco3)cs2)c1 ZINC000740037504 599905555 /nfs/dbraw/zinc/90/55/55/599905555.db2.gz UZDNTERTJMFTKF-UHFFFAOYSA-N -1 0 329.337 3.745 20 0 EHADRM Cc1ccc(-c2nc(COc3ccc(C(=O)[O-])cc3C=O)cs2)o1 ZINC000738491571 599909579 /nfs/dbraw/zinc/90/95/79/599909579.db2.gz ZKMCDSLWBGCPAX-UHFFFAOYSA-N -1 0 343.360 3.801 20 0 EHADRM CC(C)[C@H](CC(=O)N[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000236647501 599910866 /nfs/dbraw/zinc/91/08/66/599910866.db2.gz HTXNRFZSUWXCGE-HKUYNNGSSA-N -1 0 325.408 3.758 20 0 EHADRM O=C([O-])c1ccc(Cl)cc1OC(=O)c1ccc(Br)o1 ZINC000740297061 599912314 /nfs/dbraw/zinc/91/23/14/599912314.db2.gz MVBXUXBKRMRQKN-UHFFFAOYSA-N -1 0 345.532 3.613 20 0 EHADRM C[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1)c1ccccc1F ZINC000262660275 599914354 /nfs/dbraw/zinc/91/43/54/599914354.db2.gz UFZUKGKFJUJDHK-YVEFUNNKSA-N -1 0 347.361 3.791 20 0 EHADRM Cc1cc(NC(=O)CCOc2cccc(Cl)c2)ccc1C(=O)[O-] ZINC000237700639 599915914 /nfs/dbraw/zinc/91/59/14/599915914.db2.gz SQBDAGUWFDQTBO-UHFFFAOYSA-N -1 0 333.771 3.754 20 0 EHADRM Cc1cc(NC(=O)c2cnc3onc(C(C)C)c3c2)ccc1C(=O)[O-] ZINC000120288344 599916631 /nfs/dbraw/zinc/91/66/31/599916631.db2.gz GDWBAKPVOKPGLV-UHFFFAOYSA-N -1 0 339.351 3.605 20 0 EHADRM Cc1ccccc1C1(CNC(=O)[C@@H](NC(=O)[O-])C(C)C)CCCCC1 ZINC000738759789 599916898 /nfs/dbraw/zinc/91/68/98/599916898.db2.gz AILAGXMZIGQOEE-KRWDZBQOSA-N -1 0 346.471 3.605 20 0 EHADRM Cc1cc(NC(=O)c2ccc(Br)cc2)ccc1C(=O)[O-] ZINC000044749755 599917474 /nfs/dbraw/zinc/91/74/74/599917474.db2.gz SHBXZUIIAGHOAI-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000324292085 599917810 /nfs/dbraw/zinc/91/78/10/599917810.db2.gz ARWWSEXKEVHVMJ-UHFFFAOYSA-N -1 0 327.380 3.799 20 0 EHADRM Cc1cc(NC(=O)COc2cccc3ccccc32)ccc1C(=O)[O-] ZINC000534168765 599918545 /nfs/dbraw/zinc/91/85/45/599918545.db2.gz HMLMDDRGJDKRDF-UHFFFAOYSA-N -1 0 335.359 3.864 20 0 EHADRM Cc1ccc(CC(=O)Nc2cccc(CSCC(=O)[O-])c2)s1 ZINC000237674416 599918844 /nfs/dbraw/zinc/91/88/44/599918844.db2.gz CBBGAVDTCGZCLG-UHFFFAOYSA-N -1 0 335.450 3.556 20 0 EHADRM COc1cc2nc(C)sc2cc1NC(=O)c1ccc(C(=O)[O-])s1 ZINC000432105389 599926099 /nfs/dbraw/zinc/92/60/99/599926099.db2.gz DDPLWGNFVAQKBG-UHFFFAOYSA-N -1 0 348.405 3.625 20 0 EHADRM CCCOc1cccc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000327496479 599932613 /nfs/dbraw/zinc/93/26/13/599932613.db2.gz PKKSDTQWANZDPQ-GOSISDBHSA-N -1 0 341.407 3.811 20 0 EHADRM Cc1ccc(C(N)=O)cc1NCc1c2ccccc2sc1C(=O)[O-] ZINC000738566985 599936372 /nfs/dbraw/zinc/93/63/72/599936372.db2.gz CVUNOFIGUULBTB-UHFFFAOYSA-N -1 0 340.404 3.619 20 0 EHADRM C[C@H](CC(=O)N[C@H](CCC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000139304164 599936510 /nfs/dbraw/zinc/93/65/10/599936510.db2.gz ZTCXFWYCSPLTKO-CRAIPNDOSA-N -1 0 325.408 3.903 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)Nc2cccc(C(=O)[O-])c2)c(C)c1 ZINC000738589848 599940825 /nfs/dbraw/zinc/94/08/25/599940825.db2.gz YJMCFMDXVXQCAD-AWEZNQCLSA-N -1 0 326.396 3.754 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cn2)s1 ZINC000740114455 599952707 /nfs/dbraw/zinc/95/27/07/599952707.db2.gz IGPKCMAOHGCCBV-UHFFFAOYSA-N -1 0 340.360 3.886 20 0 EHADRM C[C@H](CC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F)CC(C)(C)C ZINC000736541617 599971886 /nfs/dbraw/zinc/97/18/86/599971886.db2.gz NOFZTGPJHCLLON-BMIGLBTASA-N -1 0 327.371 3.669 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NC1CC(C)(c2ccccc2)C1 ZINC000738532175 599983395 /nfs/dbraw/zinc/98/33/95/599983395.db2.gz DSWAFWLZMAYMCH-UHFFFAOYSA-N -1 0 338.407 3.935 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000317113641 599998129 /nfs/dbraw/zinc/99/81/29/599998129.db2.gz GRCXQIHINKVOOP-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)SCc2ccccc2)c1 ZINC000737931893 599999907 /nfs/dbraw/zinc/99/99/07/599999907.db2.gz OCFIYEGZGSPCBI-GFCCVEGCSA-N -1 0 345.420 3.654 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)Cc2ccc3ccccc3c2)c1 ZINC000392708842 600002203 /nfs/dbraw/zinc/00/22/03/600002203.db2.gz AXWSXGFLGZJUKE-UHFFFAOYSA-N -1 0 335.359 3.728 20 0 EHADRM CC(C)(NC(=O)Nc1cccc(NC(=O)[O-])c1)c1ccc(F)cc1 ZINC000736325023 600008740 /nfs/dbraw/zinc/00/87/40/600008740.db2.gz UTDLWIDKXZFLGS-UHFFFAOYSA-N -1 0 331.347 3.972 20 0 EHADRM O=C([O-])N1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 ZINC000739920280 600012436 /nfs/dbraw/zinc/01/24/36/600012436.db2.gz LCKYTRHFRQCROD-KRWDZBQOSA-N -1 0 345.443 3.853 20 0 EHADRM Cc1cc(NC(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)ccc1C(=O)[O-] ZINC000738439523 600014844 /nfs/dbraw/zinc/01/48/44/600014844.db2.gz DEBIRQULRIMUNV-HZPDHXFCSA-N -1 0 328.343 3.510 20 0 EHADRM CCc1ccc(CN(C)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000737265472 600015592 /nfs/dbraw/zinc/01/55/92/600015592.db2.gz RAWPIENPKZICMS-UHFFFAOYSA-N -1 0 326.396 3.920 20 0 EHADRM Cc1cc(NC(=O)NCCc2cccc(Cl)c2)ccc1C(=O)[O-] ZINC000738442381 600017846 /nfs/dbraw/zinc/01/78/46/600017846.db2.gz WXPMZXQCAKJZDH-UHFFFAOYSA-N -1 0 332.787 3.711 20 0 EHADRM Cc1cccc(C2(C(=O)N3CCC[C@H](C(=O)[O-])C3)CCCCC2)c1 ZINC000237924869 600022495 /nfs/dbraw/zinc/02/24/95/600022495.db2.gz IEUPHZXWZNJYAQ-INIZCTEOSA-N -1 0 329.440 3.520 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000736891611 600023733 /nfs/dbraw/zinc/02/37/33/600023733.db2.gz PDPSIIGOQLUDBP-CQSZACIVSA-N -1 0 342.391 3.812 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)c2cc(Cl)ccc2Cl)c1 ZINC000739889338 600026014 /nfs/dbraw/zinc/02/60/14/600026014.db2.gz SBPYILHKVVFXTA-UHFFFAOYSA-N -1 0 325.147 3.840 20 0 EHADRM Cc1ccc(CN(C(=O)NC2CCC(C(=O)[O-])CC2)C(C)C)s1 ZINC000262954941 600028137 /nfs/dbraw/zinc/02/81/37/600028137.db2.gz BFKIKRCQUFYXPS-UHFFFAOYSA-N -1 0 338.473 3.620 20 0 EHADRM O=C([O-])C1CCC(NC(=O)Nc2cccc(-c3nccs3)c2)CC1 ZINC000263510901 600028708 /nfs/dbraw/zinc/02/87/08/600028708.db2.gz XSBFXZBZGYXHIN-UHFFFAOYSA-N -1 0 345.424 3.575 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Nc2ccccc2OC(F)F)cc1 ZINC000238073136 600032968 /nfs/dbraw/zinc/03/29/68/600032968.db2.gz BMHYFHLVPQHQPL-UHFFFAOYSA-N -1 0 335.306 3.558 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N(Cc2ccc(F)cc2)C2CC2)cc1 ZINC000238057237 600034622 /nfs/dbraw/zinc/03/46/22/600034622.db2.gz JMTGWFIEZPKZNX-UHFFFAOYSA-N -1 0 341.382 3.648 20 0 EHADRM CO[C@@](C)(C(=O)Nc1cc(C(=O)[O-])ccc1Cl)c1ccccc1 ZINC000737724297 600035522 /nfs/dbraw/zinc/03/55/22/600035522.db2.gz YJXJKSSDEQBSGR-QGZVFWFLSA-N -1 0 333.771 3.539 20 0 EHADRM CC(C)N(Cc1ccccc1)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000236800302 600036721 /nfs/dbraw/zinc/03/67/21/600036721.db2.gz NIZBBMSNWWZWFT-UHFFFAOYSA-N -1 0 325.408 3.755 20 0 EHADRM C[C@H](c1cc(F)ccc1F)N(C)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237401883 600037299 /nfs/dbraw/zinc/03/72/99/600037299.db2.gz OGSHZTIWIMAGNP-GFCCVEGCSA-N -1 0 347.361 3.815 20 0 EHADRM Cc1ccc([C@@H](C)N(C)C(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000237401924 600037344 /nfs/dbraw/zinc/03/73/44/600037344.db2.gz UOPGBODBJHWNER-OAHLLOKOSA-N -1 0 325.408 3.845 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000237593554 600037533 /nfs/dbraw/zinc/03/75/33/600037533.db2.gz UOPGBODBJHWNER-HNNXBMFYSA-N -1 0 325.408 3.845 20 0 EHADRM CCOc1ccc(N(CC)C(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000737204493 600037731 /nfs/dbraw/zinc/03/77/31/600037731.db2.gz SSJGFRFZOONAHF-UHFFFAOYSA-N -1 0 341.407 3.769 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N2CCC[C@@H]2C2CCCCC2)cc1 ZINC000238058216 600039884 /nfs/dbraw/zinc/03/98/84/600039884.db2.gz KTKNCOMQNQQWET-GOSISDBHSA-N -1 0 329.440 3.889 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)C2 ZINC000326097077 600040917 /nfs/dbraw/zinc/04/09/17/600040917.db2.gz BZINVDMYWMVYTA-HZMBPMFUSA-N -1 0 341.329 3.596 20 0 EHADRM C[C@]1(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)CCCc2ccccc21 ZINC000621556828 600041810 /nfs/dbraw/zinc/04/18/10/600041810.db2.gz SLRRVAKNFKPWAN-NRFANRHFSA-N -1 0 335.403 3.521 20 0 EHADRM Cc1ccccc1CC(C)(C)NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237716942 600043834 /nfs/dbraw/zinc/04/38/34/600043834.db2.gz YILYMLHRPYJZAW-UHFFFAOYSA-N -1 0 339.435 3.763 20 0 EHADRM C[C@H]1CCc2sc(C(=O)N3Cc4ccc(C(=O)[O-])cc4C3)cc2C1 ZINC000326329949 600045432 /nfs/dbraw/zinc/04/54/32/600045432.db2.gz GNHKHPDOEYICJJ-NSHDSACASA-N -1 0 341.432 3.727 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000261762030 600050110 /nfs/dbraw/zinc/05/01/10/600050110.db2.gz VCMKSUOXWPKGOO-XSRFYTQQSA-N -1 0 341.860 3.580 20 0 EHADRM O=C([O-])c1cc(F)ccc1CSc1ccc2c(c1)OCCCO2 ZINC000322294055 600057792 /nfs/dbraw/zinc/05/77/92/600057792.db2.gz YIXAXKVRNDDRTN-UHFFFAOYSA-N -1 0 334.368 3.978 20 0 EHADRM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000739552613 600059228 /nfs/dbraw/zinc/05/92/28/600059228.db2.gz JFPVJJDMBCJCFS-KBPBESRZSA-N -1 0 338.388 3.623 20 0 EHADRM Cc1ccccc1CCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000321003875 600059642 /nfs/dbraw/zinc/05/96/42/600059642.db2.gz ZOSNMBSZGNVJBQ-UHFFFAOYSA-N -1 0 329.421 3.815 20 0 EHADRM CC[C@H](C(=O)Oc1ccc(C(=O)[O-])cc1Cl)c1c(C)noc1C ZINC000736859833 600061119 /nfs/dbraw/zinc/06/11/19/600061119.db2.gz IOPJTDYCOLDHSK-NSHDSACASA-N -1 0 337.759 3.742 20 0 EHADRM CC[C@H](CC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000236920590 600061680 /nfs/dbraw/zinc/06/16/80/600061680.db2.gz WITRCNUMMKRANA-MRXNPFEDSA-N -1 0 325.408 3.927 20 0 EHADRM Cc1cccc(C[C@@H](CNC(=O)c2ccc(C(C)C)cc2)C(=O)[O-])c1 ZINC000738711538 600068791 /nfs/dbraw/zinc/06/87/91/600068791.db2.gz KHTBELSRJNDSGK-IBGZPJMESA-N -1 0 339.435 3.792 20 0 EHADRM Cc1ccc2c(CNc3cc(C(=O)[O-])c(F)cc3F)cc(=O)oc2c1 ZINC000738666033 600076721 /nfs/dbraw/zinc/07/67/21/600076721.db2.gz QITIGGMIKYEGCU-UHFFFAOYSA-N -1 0 345.301 3.690 20 0 EHADRM CCC[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000362489396 600078347 /nfs/dbraw/zinc/07/83/47/600078347.db2.gz OIECAASUVAHENF-BREBYQMCSA-N -1 0 330.211 3.672 20 0 EHADRM CN(Cc1ccc(Br)o1)Cc1ccc(F)cc1C(=O)[O-] ZINC000737451138 600084239 /nfs/dbraw/zinc/08/42/39/600084239.db2.gz JQPLDJVQPCVHRU-UHFFFAOYSA-N -1 0 342.164 3.511 20 0 EHADRM Cn1cc(CC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c2ccccc21 ZINC000739028655 600086497 /nfs/dbraw/zinc/08/64/97/600086497.db2.gz XMUHCWDFOGFUJQ-UHFFFAOYSA-N -1 0 341.342 3.589 20 0 EHADRM Cc1[nH]c(C(=O)CN([C@@H](C)c2ccccc2)C2CC2)c(C)c1C(=O)[O-] ZINC000738155064 600090859 /nfs/dbraw/zinc/09/08/59/600090859.db2.gz YUMBRXYBEWAJFF-AWEZNQCLSA-N -1 0 340.423 3.738 20 0 EHADRM CSCc1cccc(NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000738196975 600097702 /nfs/dbraw/zinc/09/77/02/600097702.db2.gz VFCVJPMFBOKBFW-UHFFFAOYSA-N -1 0 342.420 3.796 20 0 EHADRM O=C([O-])c1cccc(CN2CCO[C@H](c3ccccc3Cl)C2)c1 ZINC000262946057 600102764 /nfs/dbraw/zinc/10/27/64/600102764.db2.gz AFPIICWVYJAMPM-KRWDZBQOSA-N -1 0 331.799 3.612 20 0 EHADRM O=C([O-])c1ccc(CCc2nc(Cc3ccccc3Cl)no2)cc1 ZINC000740124548 600108112 /nfs/dbraw/zinc/10/81/12/600108112.db2.gz VCYYDXYLVBWOTD-UHFFFAOYSA-N -1 0 342.782 3.797 20 0 EHADRM COc1ccccc1C/C(C)=C\C(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC000738124530 600108842 /nfs/dbraw/zinc/10/88/42/600108842.db2.gz QMWLHMSBLQFNCL-FNDLEWIFSA-N -1 0 340.375 3.553 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)OCc2ccc(F)cc2C(=O)[O-])cc1 ZINC000738501945 600111034 /nfs/dbraw/zinc/11/10/34/600111034.db2.gz AXMSDXPBCGABSS-UHFFFAOYSA-N -1 0 344.338 3.539 20 0 EHADRM CSc1cccc(NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000321954055 600111350 /nfs/dbraw/zinc/11/13/50/600111350.db2.gz FRVKDGOVFSXGBV-UHFFFAOYSA-N -1 0 328.393 3.654 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000740078498 600111493 /nfs/dbraw/zinc/11/14/93/600111493.db2.gz KQYFBTCGYJAKHW-UHFFFAOYSA-N -1 0 348.757 3.952 20 0 EHADRM Cc1cc2ccccc2n1CC(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000738479959 600113741 /nfs/dbraw/zinc/11/37/41/600113741.db2.gz WCOXFQUVEDHGEZ-UHFFFAOYSA-N -1 0 341.338 3.530 20 0 EHADRM CCOc1ccc2cc(-c3nc(-c4ccc(C(=O)[O-])cc4)no3)[nH]c2c1 ZINC000737209665 600114428 /nfs/dbraw/zinc/11/44/28/600114428.db2.gz BPQSBBUJCOUMBF-UHFFFAOYSA-N -1 0 349.346 3.982 20 0 EHADRM COc1ccc(O[C@@H](C)c2nc(-c3ccc(C(=O)[O-])cc3)no2)cc1 ZINC000738043704 600114818 /nfs/dbraw/zinc/11/48/18/600114818.db2.gz FUHQUCKXOBZMEP-NSHDSACASA-N -1 0 340.335 3.583 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)c1ccc(Cl)nc1Cl ZINC000740078304 600117169 /nfs/dbraw/zinc/11/71/69/600117169.db2.gz RGAJWUXYRZFTBA-UHFFFAOYSA-N -1 0 344.125 3.583 20 0 EHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000736395459 600120682 /nfs/dbraw/zinc/12/06/82/600120682.db2.gz MJUYGIWTGKCFCV-MNOVXSKESA-N -1 0 340.370 3.999 20 0 EHADRM CC1(NC(=O)Nc2cccc(CSCCC(=O)[O-])c2)CCCC1 ZINC000736738926 600123706 /nfs/dbraw/zinc/12/37/06/600123706.db2.gz VBIMCGYKNIDNKF-UHFFFAOYSA-N -1 0 336.457 3.849 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)Oc2ccc(C(=O)[O-])cc2C(C)=O)C1(C)C ZINC000736186456 600123884 /nfs/dbraw/zinc/12/38/84/600123884.db2.gz JTIRFDCMVCLQMV-ZBFHGGJFSA-N -1 0 330.380 3.731 20 0 EHADRM CC(C)=C[C@H]1[C@H](C(=O)Oc2ccc(C(=O)[O-])cc2C(C)=O)C1(C)C ZINC000736186452 600123913 /nfs/dbraw/zinc/12/39/13/600123913.db2.gz JTIRFDCMVCLQMV-GOEBONIOSA-N -1 0 330.380 3.731 20 0 EHADRM CCOc1ccc(CCC(=O)Oc2ccc(C)cc2C(=O)[O-])cc1 ZINC000737205315 600131291 /nfs/dbraw/zinc/13/12/91/600131291.db2.gz ITNCIRSPWPFTQW-UHFFFAOYSA-N -1 0 328.364 3.630 20 0 EHADRM Cc1ccc(OC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)c(C(=O)[O-])c1 ZINC000738641520 600132781 /nfs/dbraw/zinc/13/27/81/600132781.db2.gz USLWOICVCVCOPQ-UHFFFAOYSA-N -1 0 344.411 3.987 20 0 EHADRM CC(C)c1cccc(C(C)C)c1NC(=O)CN(C)C(C)(C)C(=O)[O-] ZINC000736521649 600134661 /nfs/dbraw/zinc/13/46/61/600134661.db2.gz OETHOYJRDFRAEC-UHFFFAOYSA-N -1 0 334.460 3.667 20 0 EHADRM Cc1ccc(OC(=O)[C@@H](C)Oc2cccc(Cl)c2)c(C(=O)[O-])c1 ZINC000738637654 600135050 /nfs/dbraw/zinc/13/50/50/600135050.db2.gz YDENBSIABLEQDG-LLVKDONJSA-N -1 0 334.755 3.720 20 0 EHADRM CN(C)c1ccc([C@H]2C[C@@H]2C(=O)Nc2cccc(NC(=O)[O-])c2)cc1 ZINC000737376391 600145275 /nfs/dbraw/zinc/14/52/75/600145275.db2.gz DHIDIPWYGSNZKC-SJORKVTESA-N -1 0 339.395 3.585 20 0 EHADRM CCc1[nH]c(C(=O)N[C@H](C)c2cc(C)cc(C)c2)c(C)c1C(=O)[O-] ZINC000737242372 600148555 /nfs/dbraw/zinc/14/85/55/600148555.db2.gz SWTSCDGTOLFDGI-CYBMUJFWSA-N -1 0 328.412 3.692 20 0 EHADRM O=C([O-])Cc1ccc(OCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000013421360 600155595 /nfs/dbraw/zinc/15/55/95/600155595.db2.gz DMISNRKMGMKUNT-UHFFFAOYSA-N -1 0 344.754 3.596 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)c2sccc2C2CC2)C(=O)[O-])cc1 ZINC000362814205 600160519 /nfs/dbraw/zinc/16/05/19/600160519.db2.gz ODQRRPARNHDWOI-OAHLLOKOSA-N -1 0 329.421 3.532 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CSc2ccccc2Cl)c(F)c1 ZINC000316411478 600168110 /nfs/dbraw/zinc/16/81/10/600168110.db2.gz OBKBJYYKKLFCLQ-UHFFFAOYSA-N -1 0 339.775 3.908 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)OCc1ccc(C(=O)[O-])cc1 ZINC000738125428 600175762 /nfs/dbraw/zinc/17/57/62/600175762.db2.gz BRCGNWXTTXHOKE-AWEZNQCLSA-N -1 0 342.391 3.706 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)Nc2cc(C)cc(C)c2)C(=O)[O-])cc1 ZINC000738560269 600176678 /nfs/dbraw/zinc/17/66/78/600176678.db2.gz LCKKIXWZXSMEPI-QGZVFWFLSA-N -1 0 326.396 3.602 20 0 EHADRM CCN(C(=O)Nc1ccc(N(C)C(=O)[O-])cc1)[C@@H](C)c1cccnc1 ZINC000737057348 600182011 /nfs/dbraw/zinc/18/20/11/600182011.db2.gz FKXFWOOWSLYDMG-ZDUSSCGKSA-N -1 0 342.399 3.811 20 0 EHADRM Cc1c2ccccc2oc1CNC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000738289181 600182487 /nfs/dbraw/zinc/18/24/87/600182487.db2.gz MJRKRVZTLOIRAT-UHFFFAOYSA-N -1 0 338.363 3.690 20 0 EHADRM CCN(C(=O)Nc1ccc(F)c(NC(=O)[O-])c1)[C@H](C)c1cccnc1 ZINC000737057568 600183474 /nfs/dbraw/zinc/18/34/74/600183474.db2.gz HJTPUXVYNGVHRR-LLVKDONJSA-N -1 0 346.362 3.926 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)c1cc(Cl)nc(Cl)c1 ZINC000740291670 600193604 /nfs/dbraw/zinc/19/36/04/600193604.db2.gz VMOCBXSEIBJHGJ-UHFFFAOYSA-N -1 0 344.125 3.583 20 0 EHADRM C[C@H](CC(=O)OCCOc1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000736555499 600193665 /nfs/dbraw/zinc/19/36/65/600193665.db2.gz FRLNWNXQDFIDGU-CYBMUJFWSA-N -1 0 346.354 3.640 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000354170491 600194224 /nfs/dbraw/zinc/19/42/24/600194224.db2.gz AADYQRIHNBDJSW-ZDUSSCGKSA-N -1 0 345.420 3.517 20 0 EHADRM CN(C(=O)c1cc2cc(F)ccc2s1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737337068 600194786 /nfs/dbraw/zinc/19/47/86/600194786.db2.gz UNDKUNMVQHQWEI-INIZCTEOSA-N -1 0 343.379 3.938 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000347344737 600194999 /nfs/dbraw/zinc/19/49/99/600194999.db2.gz JVJVJYFPDVDMAX-HNNXBMFYSA-N -1 0 343.448 3.528 20 0 EHADRM C/C(=C\C(=O)Nc1ccc(OCCC(=O)[O-])cc1)c1cccc(F)c1 ZINC000736121860 600196246 /nfs/dbraw/zinc/19/62/46/600196246.db2.gz VJOLLIVCSBEYIK-ACCUITESSA-N -1 0 343.354 3.721 20 0 EHADRM O=C([O-])CN(C(=O)c1cc(C2CC2)nc2ccccc21)c1ccccc1 ZINC000156234898 600197012 /nfs/dbraw/zinc/19/70/12/600197012.db2.gz YMRCYXAAZJPHKZ-UHFFFAOYSA-N -1 0 346.386 3.844 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000261816773 600199330 /nfs/dbraw/zinc/19/93/30/600199330.db2.gz GWPOMKTUGALRHC-WCBMZHEXSA-N -1 0 333.281 3.831 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1C ZINC000738504197 600199754 /nfs/dbraw/zinc/19/97/54/600199754.db2.gz SVVCUDISVVMFAH-UHFFFAOYSA-N -1 0 343.354 3.742 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)CNc2cccc(Cl)c2)c1 ZINC000739309597 600203372 /nfs/dbraw/zinc/20/33/72/600203372.db2.gz UDWURRNAPCDWHS-UHFFFAOYSA-N -1 0 339.178 3.742 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000738502644 600203626 /nfs/dbraw/zinc/20/36/26/600203626.db2.gz JDKIZZFMUMWUDY-UHFFFAOYSA-N -1 0 345.782 3.948 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=S)NC(C1CC1)C1CC1 ZINC000736491795 600205258 /nfs/dbraw/zinc/20/52/58/600205258.db2.gz QZTNLGQADMPKSL-UHFFFAOYSA-N -1 0 348.468 3.647 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)C[C@H](C)c2ccccc2C)c1 ZINC000737934427 600208363 /nfs/dbraw/zinc/20/83/63/600208363.db2.gz BBXNKYMKPXCXCW-ZDUSSCGKSA-N -1 0 327.380 3.834 20 0 EHADRM CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000736376442 600208922 /nfs/dbraw/zinc/20/89/22/600208922.db2.gz OMXRMEVAHKUMCZ-MRXNPFEDSA-N -1 0 334.416 3.629 20 0 EHADRM CC(C)(C)[C@H]1CCCN(C(=O)CCc2ccc(C(=O)[O-])cc2)CC1 ZINC000236727744 600209417 /nfs/dbraw/zinc/20/94/17/600209417.db2.gz SNFCNNRHBDCBHZ-KRWDZBQOSA-N -1 0 331.456 3.992 20 0 EHADRM O=C([O-])c1coc(CN2CCSC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000740268367 600218655 /nfs/dbraw/zinc/21/86/55/600218655.db2.gz RZOFFJBXCURTFE-OAHLLOKOSA-N -1 0 337.828 3.921 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)/C=C/Sc2ccccc2)c2ccccc21 ZINC000739603515 600226183 /nfs/dbraw/zinc/22/61/83/600226183.db2.gz DINJCQXNPOKWDA-NKSUMMKUSA-N -1 0 325.389 3.507 20 0 EHADRM COc1ccc(NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c(OC)c1 ZINC000738034168 600232287 /nfs/dbraw/zinc/23/22/87/600232287.db2.gz HJNDQHKFGPWAOR-UHFFFAOYSA-N -1 0 349.318 3.577 20 0 EHADRM C[C@H]1CCCC[C@H]1OCC(=O)Oc1cc(Cl)ccc1C(=O)[O-] ZINC000736781983 600241757 /nfs/dbraw/zinc/24/17/57/600241757.db2.gz BIECDXBVCMDDLJ-GXFFZTMASA-N -1 0 326.776 3.539 20 0 EHADRM C[C@@H](Oc1cccc(F)c1)c1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000736704594 600244895 /nfs/dbraw/zinc/24/48/95/600244895.db2.gz UCMACMQDNRKSAR-SNVBAGLBSA-N -1 0 328.299 3.714 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C)Sc2ccccc2Cl)c(C(=O)[O-])[nH]1 ZINC000738418005 600253364 /nfs/dbraw/zinc/25/33/64/600253364.db2.gz MBUXGOVDVRXQKJ-SECBINFHSA-N -1 0 338.816 3.794 20 0 EHADRM O=C([O-])COc1cccc(C(=O)N2CCCCC[C@@H]2c2ccco2)c1 ZINC000262212986 600253423 /nfs/dbraw/zinc/25/34/23/600253423.db2.gz WCMMEIPTRWZIPZ-MRXNPFEDSA-N -1 0 343.379 3.501 20 0 EHADRM Cc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c(C(=O)[O-])[nH]1 ZINC000738443982 600256872 /nfs/dbraw/zinc/25/68/72/600256872.db2.gz CRMTVYIHVLMASC-UHFFFAOYSA-N -1 0 345.742 3.582 20 0 EHADRM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccccc1NC(=O)[O-] ZINC000736759350 600259127 /nfs/dbraw/zinc/25/91/27/600259127.db2.gz IRKWDHHYGXGJDW-TZMCWYRMSA-N -1 0 342.370 3.934 20 0 EHADRM C/C(=C/C(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1)c1cccc(F)c1 ZINC000736121448 600259898 /nfs/dbraw/zinc/25/98/98/600259898.db2.gz QWSQSGDFVWNXCD-RXEWJAMOSA-N -1 0 341.382 3.522 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N(CCc2ccc(F)cc2)C2CC2)c1 ZINC000740229128 600266286 /nfs/dbraw/zinc/26/62/86/600266286.db2.gz XUDMAYHYDQBDJR-UHFFFAOYSA-N -1 0 342.370 3.763 20 0 EHADRM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1ccccc1C(=O)[O-] ZINC000736765051 600267151 /nfs/dbraw/zinc/26/71/51/600267151.db2.gz YAJLXYSSFKKPOK-OCCSQVGLSA-N -1 0 342.370 3.934 20 0 EHADRM CC(C)c1ccc(CCCNC(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000263290620 600270624 /nfs/dbraw/zinc/27/06/24/600270624.db2.gz VFQQWEFWULPFAA-UHFFFAOYSA-N -1 0 346.471 3.685 20 0 EHADRM O=C([O-])c1cc(NC(=O)NC2(c3ccccc3F)CC2)ccc1Cl ZINC000738510134 600275597 /nfs/dbraw/zinc/27/55/97/600275597.db2.gz CKTINBYMGQOJFT-UHFFFAOYSA-N -1 0 348.761 3.988 20 0 EHADRM C[C@H](NC(=S)Nc1ccc(CN(C)C(=O)[O-])cc1)c1cccs1 ZINC000736660831 600279208 /nfs/dbraw/zinc/27/92/08/600279208.db2.gz OOHNWLAJHWHRGV-NSHDSACASA-N -1 0 349.481 3.906 20 0 EHADRM CC(C)Oc1ccc(OC(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000736494586 600281865 /nfs/dbraw/zinc/28/18/65/600281865.db2.gz NZDKMEVPGBTQCH-UHFFFAOYSA-N -1 0 328.364 3.710 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N(Cc2ccccn2)C2CC2)c1 ZINC000740075183 600282782 /nfs/dbraw/zinc/28/27/82/600282782.db2.gz ZNRYDOUDYUVLTD-UHFFFAOYSA-N -1 0 345.786 3.630 20 0 EHADRM C[C@@H](Cc1ccccc1)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736625303 600286373 /nfs/dbraw/zinc/28/63/73/600286373.db2.gz GEVMNLBZKTVQCC-AWEZNQCLSA-N -1 0 326.396 3.614 20 0 EHADRM CCN(CCC(F)(F)F)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000737100770 600289888 /nfs/dbraw/zinc/28/98/88/600289888.db2.gz JBMZDFKNFKPTCV-UHFFFAOYSA-N -1 0 338.713 3.844 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)c2ccc3ccccc3c2O)cc1 ZINC000739993122 600294448 /nfs/dbraw/zinc/29/44/48/600294448.db2.gz YVTHBIRLTDACKA-UHFFFAOYSA-N -1 0 336.347 3.565 20 0 EHADRM C[C@]1(C(=O)Nc2ccc(CNC(=O)[O-])cc2)CCCc2ccccc21 ZINC000736727090 600296120 /nfs/dbraw/zinc/29/61/20/600296120.db2.gz CFJNTIWNKWAVSA-FQEVSTJZSA-N -1 0 338.407 3.687 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)c2cc3sccc3s2)cc1 ZINC000739993017 600297029 /nfs/dbraw/zinc/29/70/29/600297029.db2.gz ZACDLHYKKUKTNK-UHFFFAOYSA-N -1 0 332.406 3.983 20 0 EHADRM CN(Cc1ccc(NCc2nc(-c3ccsc3)no2)cc1)C(=O)[O-] ZINC000737486661 600315444 /nfs/dbraw/zinc/31/54/44/600315444.db2.gz TYXFFTFNSUZTKF-UHFFFAOYSA-N -1 0 344.396 3.520 20 0 EHADRM Cc1cc(C)cc(OCC(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000738365135 600320664 /nfs/dbraw/zinc/32/06/64/600320664.db2.gz WLSBCPYXAWOLOD-QGZVFWFLSA-N -1 0 348.782 3.705 20 0 EHADRM O=C([O-])[C@H](OC(=O)CCc1ccccc1F)c1cccc(Cl)c1 ZINC000739259233 600321833 /nfs/dbraw/zinc/32/18/33/600321833.db2.gz LEXFEHVQARZNOG-MRXNPFEDSA-N -1 0 336.746 3.781 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@@H]1Cc2ccccc2S1)c1cccc(Cl)c1 ZINC000740290349 600322883 /nfs/dbraw/zinc/32/28/83/600322883.db2.gz IOIUVHFDGIHKII-LSDHHAIUSA-N -1 0 348.807 3.726 20 0 EHADRM Cc1cccc(O[C@@H](C)C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000738735214 600323508 /nfs/dbraw/zinc/32/35/08/600323508.db2.gz SAPZCYVVSAPHNF-LRDDRELGSA-N -1 0 348.782 3.785 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1nccc2ccccc21)c1cccc(Cl)c1 ZINC000740300956 600328211 /nfs/dbraw/zinc/32/82/11/600328211.db2.gz YGZWMTJZRAATJN-INIZCTEOSA-N -1 0 341.750 3.871 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@H]1CCOc2ccccc21)c1cccc(Cl)c1 ZINC000740289828 600329900 /nfs/dbraw/zinc/32/99/00/600329900.db2.gz GUWMIBQSTKZMPY-GOEBONIOSA-N -1 0 346.766 3.575 20 0 EHADRM CCCOc1cccc(NC(=O)Nc2ccc(CNC(=O)[O-])cc2)c1 ZINC000737034860 600335187 /nfs/dbraw/zinc/33/51/87/600335187.db2.gz SJRUZRPRLCWKSZ-UHFFFAOYSA-N -1 0 343.383 3.887 20 0 EHADRM C[C@H](Cc1cccs1)NC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736629829 600343593 /nfs/dbraw/zinc/34/35/93/600343593.db2.gz PFPUIXMGIYEJDU-GFCCVEGCSA-N -1 0 347.440 3.611 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736940704 600344280 /nfs/dbraw/zinc/34/42/80/600344280.db2.gz HCNWGEZLRXWHQP-ZBFHGGJFSA-N -1 0 333.432 3.887 20 0 EHADRM CN(Cc1ccc(NC(=O)N(C)Cc2cccc(F)c2)cc1)C(=O)[O-] ZINC000737484274 600345599 /nfs/dbraw/zinc/34/55/99/600345599.db2.gz YDPKXVNLYWERLA-UHFFFAOYSA-N -1 0 345.374 3.599 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)c1ccccc1 ZINC000736598917 600345884 /nfs/dbraw/zinc/34/58/84/600345884.db2.gz QSBREPNWWLQMAY-CQSZACIVSA-N -1 0 341.411 3.722 20 0 EHADRM CN(Cc1ccc(NC(=O)NC(C)(C)c2ccccc2)cc1)C(=O)[O-] ZINC000737482364 600347556 /nfs/dbraw/zinc/34/75/56/600347556.db2.gz KNFWTOMBEWSKDQ-UHFFFAOYSA-N -1 0 341.411 3.853 20 0 EHADRM Cc1cc(C)cc([C@H](C)NC(=O)Nc2ccc(CNC(=O)[O-])cc2)c1 ZINC000738363091 600349432 /nfs/dbraw/zinc/34/94/32/600349432.db2.gz BVXZJWFSYXADNE-AWEZNQCLSA-N -1 0 341.411 3.954 20 0 EHADRM O=C([O-])CCCc1nc(CSCc2ccccc2Cl)no1 ZINC000739701681 600350980 /nfs/dbraw/zinc/35/09/80/600350980.db2.gz DRHCISVRGUTDFO-UHFFFAOYSA-N -1 0 326.805 3.564 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)NCCCCc2ccccc2)cc1 ZINC000739987834 600350769 /nfs/dbraw/zinc/35/07/69/600350769.db2.gz GNGIZSTZQRRQAC-UHFFFAOYSA-N -1 0 341.411 3.599 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(CNC(=O)[O-])cc2)o1 ZINC000738581937 600352474 /nfs/dbraw/zinc/35/24/74/600352474.db2.gz HGNYSEUZWAWDFY-HNNXBMFYSA-N -1 0 343.383 3.725 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccccc1 ZINC000736861371 600357565 /nfs/dbraw/zinc/35/75/65/600357565.db2.gz KYALSEZTMUBCRL-LJQANCHMSA-N -1 0 341.411 3.901 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)c2c(Cl)nc3ccccn32)cc1 ZINC000078023203 600365947 /nfs/dbraw/zinc/36/59/47/600365947.db2.gz GEEBYNSCLXTCHL-RMKNXTFCSA-N -1 0 326.739 3.582 20 0 EHADRM C[C@@H](OC(=O)c1ccc(-c2ccccc2)[nH]1)c1ccc(C(=O)[O-])o1 ZINC000736689820 600371261 /nfs/dbraw/zinc/37/12/61/600371261.db2.gz KPFBYGCXKJZSNZ-LLVKDONJSA-N -1 0 325.320 3.891 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)sc1C(=O)[O-] ZINC000738234109 600371567 /nfs/dbraw/zinc/37/15/67/600371567.db2.gz HAWRKSOYWSWCEW-VHSXEESVSA-N -1 0 337.347 3.775 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)[C@H](C)c1ccsc1 ZINC000737871331 600374542 /nfs/dbraw/zinc/37/45/42/600374542.db2.gz KDLUHDVIQKCKSD-VLWUPBBWSA-N -1 0 332.377 3.564 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)Nc2cccc(OCC(=O)[O-])c2)cc1 ZINC000236976925 600374669 /nfs/dbraw/zinc/37/46/69/600374669.db2.gz YYGIPWIZDCJYLE-CQSZACIVSA-N -1 0 341.407 3.845 20 0 EHADRM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CC/C=C\c1ccccc1 ZINC000362519384 600374981 /nfs/dbraw/zinc/37/49/81/600374981.db2.gz MISIVWIBXRCKAI-KZIVNFMESA-N -1 0 335.403 3.518 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000237029865 600375525 /nfs/dbraw/zinc/37/55/25/600375525.db2.gz GEICQHCOBIWMBJ-NSHDSACASA-N -1 0 331.334 3.522 20 0 EHADRM CC[C@](NC(=O)[C@@H](C)Cc1ccccc1F)(C(=O)[O-])c1ccccc1 ZINC000485388666 600379116 /nfs/dbraw/zinc/37/91/16/600379116.db2.gz WVZXKHIBZJTZRA-VBKZILBWSA-N -1 0 343.398 3.511 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1cc(Cl)ccc1OC)c1ccccc1 ZINC000736851793 600379372 /nfs/dbraw/zinc/37/93/72/600379372.db2.gz KTYIKYFHDYYRBF-OAHLLOKOSA-N -1 0 347.798 3.859 20 0 EHADRM O=C([O-])c1ccc(OC(=O)C[C@H]2CCOc3ccccc32)c(Cl)c1 ZINC000739222350 600380864 /nfs/dbraw/zinc/38/08/64/600380864.db2.gz LTCPXKJWMOUPPT-LLVKDONJSA-N -1 0 346.766 3.900 20 0 EHADRM C/C(=C/C(=O)NC(C)(C)CCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000236635910 600385001 /nfs/dbraw/zinc/38/50/01/600385001.db2.gz NQNMPXQDGIHNRP-KHPPLWFESA-N -1 0 343.345 3.868 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1cc(F)c(F)c(F)c1)c1ccccc1 ZINC000736850660 600386364 /nfs/dbraw/zinc/38/63/64/600386364.db2.gz CCRKKRJFGWLYKT-CQSZACIVSA-N -1 0 337.297 3.614 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccccc1 ZINC000736321498 600387375 /nfs/dbraw/zinc/38/73/75/600387375.db2.gz FIVXMAOCVAHWQS-UHFFFAOYSA-N -1 0 330.359 3.623 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)C=Cc2ccc(Cl)cc2)cc1 ZINC000740016096 600387436 /nfs/dbraw/zinc/38/74/36/600387436.db2.gz BDLAXLLMZBMGLN-BJMVGYQFSA-N -1 0 344.798 3.802 20 0 EHADRM Cc1ccccc1C(C)(C)C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000738757050 600387583 /nfs/dbraw/zinc/38/75/83/600387583.db2.gz SZRRMCIVKNYULF-UHFFFAOYSA-N -1 0 340.423 3.721 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000736321889 600389892 /nfs/dbraw/zinc/38/98/92/600389892.db2.gz LZDJXJHCSDXZLD-UHFFFAOYSA-N -1 0 348.349 3.762 20 0 EHADRM Cc1noc(C)c1C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000262232016 600390948 /nfs/dbraw/zinc/39/09/48/600390948.db2.gz VKOVIQBDPJQBSB-HNNXBMFYSA-N -1 0 344.411 3.535 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)o1 ZINC000141266350 600392970 /nfs/dbraw/zinc/39/29/70/600392970.db2.gz OZYBYALABPHSOI-HNNXBMFYSA-N -1 0 329.396 3.831 20 0 EHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2CC=CCC2)cc1 ZINC000236605501 600393072 /nfs/dbraw/zinc/39/30/72/600393072.db2.gz WBTAHOMXRNEWKV-NVXWUHKLSA-N -1 0 329.440 3.972 20 0 EHADRM CSC[C@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000237367153 600393475 /nfs/dbraw/zinc/39/34/75/600393475.db2.gz MYHVZMWEHHHQRK-SWLSCSKDSA-N -1 0 337.485 3.615 20 0 EHADRM CCCc1c(C(=O)Nc2nc3ccsc3s2)[nH]c(C)c1C(=O)[O-] ZINC000737042486 600396217 /nfs/dbraw/zinc/39/62/17/600396217.db2.gz DLFLPAZKWQYWOD-UHFFFAOYSA-N -1 0 349.437 3.897 20 0 EHADRM CCN(C(=O)[C@H](C)Cc1ccccc1F)c1ccccc1C(=O)[O-] ZINC000737051360 600400000 /nfs/dbraw/zinc/40/00/00/600400000.db2.gz RZRQFSPIEAGGEA-CYBMUJFWSA-N -1 0 329.371 3.756 20 0 EHADRM CC(C)(C)/C=C\C(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC000736251045 600407900 /nfs/dbraw/zinc/40/79/00/600407900.db2.gz NMZYZTVYHHPWSS-FPLPWBNLSA-N -1 0 344.436 3.973 20 0 EHADRM CC(C)C(=O)Nc1ccc(N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000736346936 600416759 /nfs/dbraw/zinc/41/67/59/600416759.db2.gz DEFXVQKFJMEINJ-INIZCTEOSA-N -1 0 330.359 3.658 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000236835113 600416949 /nfs/dbraw/zinc/41/69/49/600416949.db2.gz LGWKTXYQLFSDNZ-IAGOWNOFSA-N -1 0 325.408 3.703 20 0 EHADRM Nc1c(Cl)cc(N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1Cl ZINC000739203566 600420058 /nfs/dbraw/zinc/42/00/58/600420058.db2.gz HDUWKVFLHSXEDS-CYBMUJFWSA-N -1 0 329.158 3.953 20 0 EHADRM CC(=O)Nc1ccc(N[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1C ZINC000736159782 600420526 /nfs/dbraw/zinc/42/05/26/600420526.db2.gz LOSIGAPGUBRUOB-MRXNPFEDSA-N -1 0 332.787 3.845 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)OCc1cccc(C(=O)[O-])c1 ZINC000736928845 600421722 /nfs/dbraw/zinc/42/17/22/600421722.db2.gz LVMWKTRQXZGVBQ-MRXNPFEDSA-N -1 0 330.405 3.999 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)O[C@@H]1CCc2c1cccc2Cl ZINC000736428876 600422023 /nfs/dbraw/zinc/42/20/23/600422023.db2.gz WMCDZBQQTDFBIJ-UONOGXRCSA-N -1 0 325.792 3.553 20 0 EHADRM Cc1ccc2c(c1C)OC[C@@H]2N[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000738674856 600434631 /nfs/dbraw/zinc/43/46/31/600434631.db2.gz CJERGRLSNYWJCC-HOTGVXAUSA-N -1 0 331.799 3.806 20 0 EHADRM O=C([O-])c1cc(OCc2coc(-c3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000393028100 600443360 /nfs/dbraw/zinc/44/33/60/600443360.db2.gz GUSUXCNCHDZTJH-UHFFFAOYSA-N -1 0 340.291 3.527 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000740289921 600444443 /nfs/dbraw/zinc/44/44/43/600444443.db2.gz HMZWASXXPQFLRP-ZDUSSCGKSA-N -1 0 342.244 3.827 20 0 EHADRM Cc1cccc2cc(C(=O)O[C@H](C(=O)[O-])c3ccc(F)cc3)oc21 ZINC000738749646 600453794 /nfs/dbraw/zinc/45/37/94/600453794.db2.gz JHEBNMHGEIKGAZ-INIZCTEOSA-N -1 0 328.295 3.863 20 0 EHADRM Cc1ccc(C[C@@H](C)N(C)C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000738585049 600455239 /nfs/dbraw/zinc/45/52/39/600455239.db2.gz SSPWNPIZMPNQSK-CQSZACIVSA-N -1 0 326.396 3.788 20 0 EHADRM O=C([O-])[C@@H](OC(=O)C[C@H]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000739223006 600456720 /nfs/dbraw/zinc/45/67/20/600456720.db2.gz MSNFIVUIAKUWOX-DJJJIMSYSA-N -1 0 342.366 3.690 20 0 EHADRM Cc1cccc([C@H]2CCCCCN2C(=O)NCCCCC(=O)[O-])c1 ZINC000666562756 600465268 /nfs/dbraw/zinc/46/52/68/600465268.db2.gz VYFDCAJGIUAMCW-QGZVFWFLSA-N -1 0 332.444 3.877 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000736627549 600467662 /nfs/dbraw/zinc/46/76/62/600467662.db2.gz RTKGFODCMILIMP-LLVKDONJSA-N -1 0 334.318 3.585 20 0 EHADRM C[C@H]1C[C@@H](CC(=O)N(C)c2nc(CC(=O)[O-])cs2)CC(C)(C)C1 ZINC000736755638 600468178 /nfs/dbraw/zinc/46/81/78/600468178.db2.gz OIFYIILYPHXPDV-RYUDHWBXSA-N -1 0 338.473 3.586 20 0 EHADRM O=C([O-])c1ccc(CS[C@H]2CCN(c3ccccc3F)C2=O)cc1 ZINC000740136063 600473224 /nfs/dbraw/zinc/47/32/24/600473224.db2.gz OVMBADFTPZHGMW-INIZCTEOSA-N -1 0 345.395 3.563 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000347417077 600477574 /nfs/dbraw/zinc/47/75/74/600477574.db2.gz MMQAAYRPOYRDAG-HNNXBMFYSA-N -1 0 345.395 3.575 20 0 EHADRM Cc1ccc(C[C@@H](C)N(C)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000738584581 600478201 /nfs/dbraw/zinc/47/82/01/600478201.db2.gz LQVWTTQKSBOKEV-CYBMUJFWSA-N -1 0 344.386 3.927 20 0 EHADRM CCc1c(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cnn1C(C)(C)C ZINC000262450794 600479597 /nfs/dbraw/zinc/47/95/97/600479597.db2.gz PHFSWOWMTVXSOC-UHFFFAOYSA-N -1 0 349.818 3.804 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000347404843 600479639 /nfs/dbraw/zinc/47/96/39/600479639.db2.gz BKIQLODCZSLBBD-UHFFFAOYSA-N -1 0 333.340 3.570 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C(F)(F)c2ccccc2)cc1Cl ZINC000740144532 600479722 /nfs/dbraw/zinc/47/97/22/600479722.db2.gz GJIXOAVYLUBWEA-UHFFFAOYSA-N -1 0 325.698 3.769 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)CCc2ccc(F)cc2)cc1 ZINC000238001076 600482975 /nfs/dbraw/zinc/48/29/75/600482975.db2.gz WEEQUEKIQLFVKE-UHFFFAOYSA-N -1 0 345.370 3.641 20 0 EHADRM CN(Cc1ccc(NC(=O)N2CCC3(CCCC3)CC2)cc1)C(=O)[O-] ZINC000737483638 600483833 /nfs/dbraw/zinc/48/38/33/600483833.db2.gz RQAQDCQGAPBHTG-UHFFFAOYSA-N -1 0 345.443 3.985 20 0 EHADRM C[C@@H]1SCCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)[C@H]1C ZINC000514729064 600489122 /nfs/dbraw/zinc/48/91/22/600489122.db2.gz HQDFEVZKNNEUKF-RYUDHWBXSA-N -1 0 348.493 3.834 20 0 EHADRM CCC(CC)[C@@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1cccs1 ZINC000262966094 600490506 /nfs/dbraw/zinc/49/05/06/600490506.db2.gz JKTSPRFDNFHDDC-UKRRQHHQSA-N -1 0 338.473 3.732 20 0 EHADRM Cc1c(NC(=O)C[C@H](C)C(=O)c2ccccc2)cccc1C(=O)[O-] ZINC000738299937 600491198 /nfs/dbraw/zinc/49/11/98/600491198.db2.gz RCVXEVWZUUIOOP-LBPRGKRZSA-N -1 0 325.364 3.541 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(C(=O)[O-])s2)cc1OC(F)F ZINC000237658740 600492189 /nfs/dbraw/zinc/49/21/89/600492189.db2.gz WMJSPOCYPBEIHF-UHFFFAOYSA-N -1 0 327.308 3.608 20 0 EHADRM CC(C)(C)C[C@H]1CCCN1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736251323 600498744 /nfs/dbraw/zinc/49/87/44/600498744.db2.gz QAJOBDJHQUNELF-MRXNPFEDSA-N -1 0 347.459 3.929 20 0 EHADRM O=C([O-])CCCOc1ccc(CNc2ncnc3ccsc32)cc1 ZINC000739683267 600504016 /nfs/dbraw/zinc/50/40/16/600504016.db2.gz RGQTXUNVXNADPQ-UHFFFAOYSA-N -1 0 343.408 3.547 20 0 EHADRM CS[C@H]1CCC[C@@H](NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000318637610 600508059 /nfs/dbraw/zinc/50/80/59/600508059.db2.gz CRJJQLFIBLPKIQ-KOLCDFICSA-N -1 0 342.848 3.834 20 0 EHADRM COc1ccc([C@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000325657711 600513402 /nfs/dbraw/zinc/51/34/02/600513402.db2.gz MKVPFRVBWBZMTH-JTQLQIEISA-N -1 0 348.786 3.930 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000236716938 600523791 /nfs/dbraw/zinc/52/37/91/600523791.db2.gz FBZRXVZZFWSSEV-GOSISDBHSA-N -1 0 341.407 3.603 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000737229501 600532234 /nfs/dbraw/zinc/53/22/34/600532234.db2.gz NHUKNZMXUGHSEW-NSHDSACASA-N -1 0 348.424 3.650 20 0 EHADRM CC(C)(Oc1cccc(Cl)c1)C(=O)OCc1ccc(C(=O)[O-])o1 ZINC000736343989 600533878 /nfs/dbraw/zinc/53/38/78/600533878.db2.gz NPERQSPAAVGKTF-UHFFFAOYSA-N -1 0 338.743 3.532 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)Nc2ccccc2SC(F)F)o1 ZINC000391280285 600539227 /nfs/dbraw/zinc/53/92/27/600539227.db2.gz KOJSPVSMMIUULE-UHFFFAOYSA-N -1 0 342.323 3.614 20 0 EHADRM CC(C)[C@@H]1CCCN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)CC1 ZINC000736396505 600542734 /nfs/dbraw/zinc/54/27/34/600542734.db2.gz WFPNNKJLOHXZNF-OAHLLOKOSA-N -1 0 348.443 3.830 20 0 EHADRM Cc1cc(C)cc(Oc2ccc(NC(=O)NCCC(=O)[O-])cc2)c1 ZINC000738368478 600550637 /nfs/dbraw/zinc/55/06/37/600550637.db2.gz HOBSHIKGIVEPPA-UHFFFAOYSA-N -1 0 328.368 3.692 20 0 EHADRM CCc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(C(=O)[O-])cn2)o1 ZINC000190651722 600550698 /nfs/dbraw/zinc/55/06/98/600550698.db2.gz WMMDZUMSWIGUPU-INIZCTEOSA-N -1 0 342.395 3.693 20 0 EHADRM CCc1ccc([C@H]2CCCCCN2C(=O)c2ccc(C(=O)[O-])cn2)o1 ZINC000190651740 600550735 /nfs/dbraw/zinc/55/07/35/600550735.db2.gz WMMDZUMSWIGUPU-MRXNPFEDSA-N -1 0 342.395 3.693 20 0 EHADRM CC(C)c1ccc(NC(=O)CCCc2ccccn2)c(C(=O)[O-])c1 ZINC000736513794 600554391 /nfs/dbraw/zinc/55/43/91/600554391.db2.gz IZPUVKWHZIJMNY-UHFFFAOYSA-N -1 0 326.396 3.865 20 0 EHADRM CCCc1ccc([C@H](NC(=O)N2CCC(C(=O)[O-])CC2)C(C)C)cc1 ZINC000263293060 600559035 /nfs/dbraw/zinc/55/90/35/600559035.db2.gz VPWHSYXADOYWAM-GOSISDBHSA-N -1 0 346.471 3.842 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)/C=C/c1cccc(OC2CCCC2)c1 ZINC000236757057 600562852 /nfs/dbraw/zinc/56/28/52/600562852.db2.gz JLBZUWUKPBEBOD-ZHACJKMWSA-N -1 0 345.439 3.733 20 0 EHADRM CC(C)[C@H](CC1CCCCC1)C(=O)Nc1cc(C(=O)[O-])c[nH]c1=O ZINC000736353085 600570504 /nfs/dbraw/zinc/57/05/04/600570504.db2.gz MRXGDYSRQUDZTJ-AWEZNQCLSA-N -1 0 334.416 3.667 20 0 EHADRM CCCCOc1cccc(CNC(=O)c2ccccc2NC(=O)[O-])c1 ZINC000737000218 600571720 /nfs/dbraw/zinc/57/17/20/600571720.db2.gz WXVMQVNBWKBBBM-UHFFFAOYSA-N -1 0 342.395 3.885 20 0 EHADRM Nc1c(Cl)cc(NC(=O)c2ccccc2NC(=O)[O-])cc1Cl ZINC000739204822 600572781 /nfs/dbraw/zinc/57/27/81/600572781.db2.gz OGYLZVJQHNMCSO-UHFFFAOYSA-N -1 0 340.166 3.918 20 0 EHADRM CC(C)OCc1cccc(NC(=O)c2ccccc2NC(=O)[O-])c1 ZINC000736486062 600573966 /nfs/dbraw/zinc/57/39/66/600573966.db2.gz LMJIAGUPDSVNEW-UHFFFAOYSA-N -1 0 328.368 3.954 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CSc1ncccc1Br ZINC000083733039 600581609 /nfs/dbraw/zinc/58/16/09/600581609.db2.gz FRHSSCAOMSYXRE-UHFFFAOYSA-N -1 0 328.187 3.736 20 0 EHADRM C[C@H](CC(=O)[O-])SCC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000736554289 600583148 /nfs/dbraw/zinc/58/31/48/600583148.db2.gz XLOBRNLBWZWEJM-QMTHXVAHSA-N -1 0 329.487 3.548 20 0 EHADRM C[C@H](CC(=O)[O-])S[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000736550304 600583641 /nfs/dbraw/zinc/58/36/41/600583641.db2.gz NRBDQOIDKOVUHR-DYVFJYSZSA-N -1 0 329.421 3.963 20 0 EHADRM C[C@H](CC(=O)[O-])SCC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000736553716 600585934 /nfs/dbraw/zinc/58/59/34/600585934.db2.gz SZQUZUXIRHPBQQ-CHWSQXEVSA-N -1 0 331.437 3.613 20 0 EHADRM C[C@H](CC(=O)[O-])SCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000736552257 600587627 /nfs/dbraw/zinc/58/76/27/600587627.db2.gz MFJQCDDABNCVGV-SECBINFHSA-N -1 0 337.422 3.635 20 0 EHADRM C[C@@H](CC(=O)[O-])S[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000736551851 600590126 /nfs/dbraw/zinc/59/01/26/600590126.db2.gz LBWZQTIPALMFPQ-IUCAKERBSA-N -1 0 335.347 3.629 20 0 EHADRM CC(C)Cc1ccc(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000736454236 600596829 /nfs/dbraw/zinc/59/68/29/600596829.db2.gz SFWZCNIEBOHUHW-SFHVURJKSA-N -1 0 325.408 3.783 20 0 EHADRM CC(C)[C@@H](SC[C@H](C)C(=O)[O-])C(=O)Nc1ccccc1Cl ZINC000736606346 600597815 /nfs/dbraw/zinc/59/78/15/600597815.db2.gz AESRESYRBOUXRT-GXFFZTMASA-N -1 0 329.849 3.757 20 0 EHADRM CCSCc1ccc(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000737231193 600598316 /nfs/dbraw/zinc/59/83/16/600598316.db2.gz HNBGUFFSCVGIQO-KRWDZBQOSA-N -1 0 343.448 3.838 20 0 EHADRM C[C@H](CC(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-])C1CC1 ZINC000736541880 600599032 /nfs/dbraw/zinc/59/90/32/600599032.db2.gz POLIIMFSGAOPOV-KDOFPFPSSA-N -1 0 339.435 3.636 20 0 EHADRM CN(C(=O)COc1cccc2ccccc21)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737323397 600600562 /nfs/dbraw/zinc/60/05/62/600600562.db2.gz QFSQTIGEOOFPSH-HXUWFJFHSA-N -1 0 349.386 3.503 20 0 EHADRM C[C@H](CSCc1csc(COc2ccc(F)cc2)n1)C(=O)[O-] ZINC000736619308 600600700 /nfs/dbraw/zinc/60/07/00/600600700.db2.gz YKCASZGOOHGHIU-SNVBAGLBSA-N -1 0 341.429 3.815 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NC1(c2cccc(F)c2)CC1 ZINC000738532374 600601285 /nfs/dbraw/zinc/60/12/85/600601285.db2.gz GGXATGCTJBPNRM-UHFFFAOYSA-N -1 0 328.343 3.643 20 0 EHADRM COC(=O)[C@H](C)CSCc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000737563230 600602208 /nfs/dbraw/zinc/60/22/08/600602208.db2.gz NNNONKFPGUJWJG-MRVPVSSYSA-N -1 0 342.413 3.781 20 0 EHADRM C[C@H]1CCc2sc(C(=O)N(C)[C@H](C(=O)[O-])c3ccccc3)cc2C1 ZINC000736807307 600602534 /nfs/dbraw/zinc/60/25/34/600602534.db2.gz VKDFPEMYNLRWDN-SJCJKPOMSA-N -1 0 343.448 3.771 20 0 EHADRM Cc1ccc(Cl)c(O[C@H](C)C(=O)N(CC(=O)[O-])c2ccccc2)c1 ZINC000337746032 600604866 /nfs/dbraw/zinc/60/48/66/600604866.db2.gz NYKLZSCLCNUKLW-CYBMUJFWSA-N -1 0 347.798 3.534 20 0 EHADRM CC/C=C(/C)C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000236902677 600605307 /nfs/dbraw/zinc/60/53/07/600605307.db2.gz FGQGBDDUHUBDEO-IGPFELQJSA-N -1 0 325.408 3.556 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(CC(=O)[O-])c1ccccc1 ZINC000320238819 600606747 /nfs/dbraw/zinc/60/67/47/600606747.db2.gz WDKUBXWMBXCRRO-GFCCVEGCSA-N -1 0 349.839 3.938 20 0 EHADRM O=C([O-])CCC(=O)Nc1ccccc1OCc1cccc(Cl)c1 ZINC000557969865 600608250 /nfs/dbraw/zinc/60/82/50/600608250.db2.gz TUVDYAGWKYOHKB-UHFFFAOYSA-N -1 0 333.771 3.722 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C[C@@H]1CCc2ccccc21)c1ccc(F)cc1 ZINC000675948177 600608820 /nfs/dbraw/zinc/60/88/20/600608820.db2.gz VBLBUJWIYYZEHJ-MAUKXSAKSA-N -1 0 341.382 3.578 20 0 EHADRM CC(C)[C@@H](c1ccccc1Cl)N(C)C(=S)NCCCC(=O)[O-] ZINC000736391676 600615921 /nfs/dbraw/zinc/61/59/21/600615921.db2.gz QFYOWAYFPZQBQP-HNNXBMFYSA-N -1 0 342.892 3.708 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1coc2ccccc21 ZINC000737876508 600616784 /nfs/dbraw/zinc/61/67/84/600616784.db2.gz AWEGZDFZEXYWII-CLFYSBASSA-N -1 0 338.315 3.758 20 0 EHADRM C[C@H](CCC(C)(C)C)NC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000736561478 600618551 /nfs/dbraw/zinc/61/85/51/600618551.db2.gz IBOANMNSLHWJNH-CYBMUJFWSA-N -1 0 330.428 3.671 20 0 EHADRM COc1ccc([C@H](C)C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000178257671 600619510 /nfs/dbraw/zinc/61/95/10/600619510.db2.gz XMDJZJLUEKISBJ-JTQLQIEISA-N -1 0 333.771 3.789 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2cc(-c3ccccc3)on2)c1 ZINC000325333585 600619562 /nfs/dbraw/zinc/61/95/62/600619562.db2.gz ANELEIVTDMLSSU-UHFFFAOYSA-N -1 0 342.738 3.946 20 0 EHADRM Cc1csc(-c2cccc(C(=O)OCc3occc3C(=O)[O-])c2)n1 ZINC000738814886 600622148 /nfs/dbraw/zinc/62/21/48/600622148.db2.gz YJHAUPHETMXDOP-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)CCCOCc2ccccc2)c1 ZINC000739233001 600624742 /nfs/dbraw/zinc/62/47/42/600624742.db2.gz KQBRCCHABYRFIE-UHFFFAOYSA-N -1 0 347.798 3.974 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000736622158 600624865 /nfs/dbraw/zinc/62/48/65/600624865.db2.gz IJTYOUFVGMNKTC-JTQLQIEISA-N -1 0 335.762 3.995 20 0 EHADRM CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000736929979 600625618 /nfs/dbraw/zinc/62/56/18/600625618.db2.gz SCEMFMLTCOASBL-KRWDZBQOSA-N -1 0 341.411 3.714 20 0 EHADRM Cc1cc(NC(=O)N2CCc3c(Cl)cccc3C2)ccc1C(=O)[O-] ZINC000738437819 600625861 /nfs/dbraw/zinc/62/58/61/600625861.db2.gz RDSZYGQMGGVYKL-UHFFFAOYSA-N -1 0 344.798 3.937 20 0 EHADRM CCN(C(=O)Cc1cccc(OC(C)C)c1)c1ccccc1C(=O)[O-] ZINC000737060707 600647598 /nfs/dbraw/zinc/64/75/98/600647598.db2.gz ZQTRIDONRLLHFH-UHFFFAOYSA-N -1 0 341.407 3.768 20 0 EHADRM CCCCO[C@@H](C)C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000829413286 600653191 /nfs/dbraw/zinc/65/31/91/600653191.db2.gz KPDSTYCZLBQLKM-TVQRCGJNSA-N -1 0 349.210 3.868 20 0 EHADRM Cc1ccc2c(CC(=O)O[C@H](C(=O)[O-])c3ccccc3F)c[nH]c2c1 ZINC000832959049 600655810 /nfs/dbraw/zinc/65/58/10/600655810.db2.gz BQWHXYBKGLAGOK-SFHVURJKSA-N -1 0 341.338 3.527 20 0 EHADRM C[C@H](CC(=O)O[C@@H](C(=O)[O-])c1ccccc1F)c1ccc(F)cc1 ZINC000827391841 600668787 /nfs/dbraw/zinc/66/87/87/600668787.db2.gz LSOZGBPFNIIKST-PIGZYNQJSA-N -1 0 334.318 3.828 20 0 EHADRM CCc1cc2c(ncnc2NC[C@@H](C(=O)[O-])c2ccccc2)s1 ZINC000390637799 600670819 /nfs/dbraw/zinc/67/08/19/600670819.db2.gz KFSQKJIPSPXPIY-CQSZACIVSA-N -1 0 327.409 3.534 20 0 EHADRM O=C([O-])[C@@H](CNc1ncnc2c3ccccc3oc21)c1ccccc1 ZINC000739501921 600671290 /nfs/dbraw/zinc/67/12/90/600671290.db2.gz LIZICRMEOSICDP-AWEZNQCLSA-N -1 0 333.347 3.656 20 0 EHADRM Cc1ccc(-c2nc(CN(C)[C@@H](C(=O)[O-])c3ccccc3)co2)cc1 ZINC000738490552 600672978 /nfs/dbraw/zinc/67/29/78/600672978.db2.gz NHLHSZHZIBKWHP-GOSISDBHSA-N -1 0 336.391 3.908 20 0 EHADRM CCCCc1nc(CNc2ccc(OCC(=O)[O-])cc2C)cs1 ZINC000737002775 600676523 /nfs/dbraw/zinc/67/65/23/600676523.db2.gz AEMYINRJDGEBEV-UHFFFAOYSA-N -1 0 334.441 3.870 20 0 EHADRM COc1ccc(NCc2ccc(Br)s2)c(C(=O)[O-])c1 ZINC000738038319 600676936 /nfs/dbraw/zinc/67/69/36/600676936.db2.gz DWGYXKKYLIDLMW-UHFFFAOYSA-N -1 0 342.214 3.830 20 0 EHADRM Cc1ccc(NC(=O)CNc2ccc(C(C)(C)C(=O)[O-])cc2)c(F)c1 ZINC000738625516 600680894 /nfs/dbraw/zinc/68/08/94/600680894.db2.gz IDKZTNNEAKZVFI-UHFFFAOYSA-N -1 0 344.386 3.547 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)cc1 ZINC000738662447 600690313 /nfs/dbraw/zinc/69/03/13/600690313.db2.gz VHFBNASPDMWWIF-BXUZGUMPSA-N -1 0 348.761 3.855 20 0 EHADRM CC(C)(C)c1csc(-c2cccc(OC(=O)[C@@H]3C[C@H]3C(=O)[O-])c2)n1 ZINC000736298592 600690781 /nfs/dbraw/zinc/69/07/81/600690781.db2.gz BUSZLRBXZZJIGV-CHWSQXEVSA-N -1 0 345.420 3.734 20 0 EHADRM CC[C@@H]1CCC[C@@H](NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])C1 ZINC000236941414 600691148 /nfs/dbraw/zinc/69/11/48/600691148.db2.gz AINKFSXXQYNBDF-BFHYXJOUSA-N -1 0 335.469 3.950 20 0 EHADRM CC(C)[C@@H](OC(=O)C[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000827392152 600693471 /nfs/dbraw/zinc/69/34/71/600693471.db2.gz UBLWGJOZCCBXHX-QMTHXVAHSA-N -1 0 332.318 3.851 20 0 EHADRM Cc1cc(C)c(OCc2nc(-c3cccc(C(=O)[O-])c3)no2)c(C)c1 ZINC000832875051 600694438 /nfs/dbraw/zinc/69/44/38/600694438.db2.gz SSIJTIRAMXRGKM-UHFFFAOYSA-N -1 0 338.363 3.939 20 0 EHADRM O=C([O-])c1cccc(-c2noc([C@H]3C[C@@]34CCc3ccccc34)n2)c1 ZINC000833327874 600697258 /nfs/dbraw/zinc/69/72/58/600697258.db2.gz JUXVRBKFUVQVTN-OXQOHEQNSA-N -1 0 332.359 3.806 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000736417931 600702073 /nfs/dbraw/zinc/70/20/73/600702073.db2.gz YBAJRCQCDXYZGO-KRWDZBQOSA-N -1 0 347.459 3.688 20 0 EHADRM CCC[C@@]1(C)CCCN(C(=O)NCc2ccc(OC)c(C(=O)[O-])c2)C1 ZINC000829237834 600716622 /nfs/dbraw/zinc/71/66/22/600716622.db2.gz GSKPKUIBHLPYBZ-IBGZPJMESA-N -1 0 348.443 3.505 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000827427697 600721710 /nfs/dbraw/zinc/72/17/10/600721710.db2.gz LNBXQVZXUOBKQQ-LBPRGKRZSA-N -1 0 348.345 3.975 20 0 EHADRM C[C@@H]1CN(C(=O)NCCCCCCC(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000828354216 600725051 /nfs/dbraw/zinc/72/50/51/600725051.db2.gz HFYXTXANOTZIHD-AEFFLSMTSA-N -1 0 346.471 3.857 20 0 EHADRM C[C@@H](OC(=O)[C@@H]1SCCc2sccc21)c1ccc(C(=O)[O-])o1 ZINC000827827905 600726856 /nfs/dbraw/zinc/72/68/56/600726856.db2.gz SQSNPEKUROKBEY-AMIZOPFISA-N -1 0 338.406 3.674 20 0 EHADRM CC[C@@H]1CCC[C@H](NC(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000736938940 600730076 /nfs/dbraw/zinc/73/00/76/600730076.db2.gz AXXKBPURZRKYJH-CJNGLKHVSA-N -1 0 333.432 3.587 20 0 EHADRM Nc1c(Cl)cc(N[C@@H](C(=O)[O-])c2ccccc2F)cc1Cl ZINC000833090105 600735965 /nfs/dbraw/zinc/73/59/65/600735965.db2.gz BPGDYWOPEYFVAB-CYBMUJFWSA-N -1 0 329.158 3.953 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)c1cc(Cl)ccc1Cl ZINC000263047580 600744379 /nfs/dbraw/zinc/74/43/79/600744379.db2.gz QTLSQYGJUZPVBD-ZJUUUORDSA-N -1 0 345.226 3.561 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)Nc2cccc(CSC3CCCC3)c2)C1 ZINC000263068245 600748427 /nfs/dbraw/zinc/74/84/27/600748427.db2.gz PPIKULZOENPRFJ-CQSZACIVSA-N -1 0 348.468 3.801 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)c1cccc(Cl)c1Cl ZINC000263230039 600751866 /nfs/dbraw/zinc/75/18/66/600751866.db2.gz MGXGWCFPELKNAN-ZJUUUORDSA-N -1 0 345.226 3.561 20 0 EHADRM CC(C)(CC(=O)[O-])NC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000736307970 600778486 /nfs/dbraw/zinc/77/84/86/600778486.db2.gz QKANHKRKBBZYNC-UHFFFAOYSA-N -1 0 348.226 3.522 20 0 EHADRM COc1ccc(CNC(=O)NCCCCC2CCCC2)cc1C(=O)[O-] ZINC000832330397 600778599 /nfs/dbraw/zinc/77/85/99/600778599.db2.gz PVQFBGYSSDAYSQ-UHFFFAOYSA-N -1 0 348.443 3.553 20 0 EHADRM CC(C)(CC(=O)[O-])NC(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl ZINC000736310499 600782691 /nfs/dbraw/zinc/78/26/91/600782691.db2.gz OQOZBEZONXHTSU-UTCJRWHESA-N -1 0 349.736 3.742 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)NC(C)(C)CC(=O)[O-] ZINC000738259559 600783195 /nfs/dbraw/zinc/78/31/95/600783195.db2.gz GESMOXHYFYOJKL-UHFFFAOYSA-N -1 0 325.364 3.878 20 0 EHADRM Cc1ccc2cccc(C(=O)N[C@H](CCC(=O)[O-])c3ccccc3)c2n1 ZINC000190762996 600786888 /nfs/dbraw/zinc/78/68/88/600786888.db2.gz HBIUXQYMWFLEMU-GOSISDBHSA-N -1 0 348.402 3.879 20 0 EHADRM CN(C(=O)[C@@H]1C[C@]12CCCc1ccccc12)[C@@H](C(=O)[O-])c1ccccc1 ZINC000776620296 600787696 /nfs/dbraw/zinc/78/76/96/600787696.db2.gz KEIAMBGYHYKWPE-JQVVWYNYSA-N -1 0 349.430 3.565 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)[C@H]2C[C@@]23CCc2ccccc23)c1 ZINC000833298305 600788146 /nfs/dbraw/zinc/78/81/46/600788146.db2.gz XDKOKUQEMWPDDU-VQIMIIECSA-N -1 0 341.794 3.881 20 0 EHADRM Cc1cc(C(=O)NC(C)(C)CC(=O)[O-])c(C)n1[C@@H](C)c1ccccc1 ZINC000738331015 600789471 /nfs/dbraw/zinc/78/94/71/600789471.db2.gz CETQQYDLDXFQQA-AWEZNQCLSA-N -1 0 342.439 3.697 20 0 EHADRM O=C([O-])C[C@H](NC(=O)/C=C/c1ccsc1)c1cccc(Cl)c1 ZINC000776673461 600798963 /nfs/dbraw/zinc/79/89/63/600798963.db2.gz PYUJOZLPLROZGQ-NNTXTVRGSA-N -1 0 335.812 3.747 20 0 EHADRM O=C([O-])C[C@H](NC(=O)/C=C/c1ccccc1F)c1cccc(Cl)c1 ZINC000776675132 600800408 /nfs/dbraw/zinc/80/04/08/600800408.db2.gz PPWNXCAKWYPFAZ-FDMDGMSGSA-N -1 0 347.773 3.825 20 0 EHADRM C[C@H](C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1)c1cccc(F)c1 ZINC000776671973 600801369 /nfs/dbraw/zinc/80/13/69/600801369.db2.gz GOYPPOGYXLPUAX-MEDUHNTESA-N -1 0 349.789 3.915 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)c2cc(Oc3ccccc3)ccn2)c1 ZINC000833268395 600801814 /nfs/dbraw/zinc/80/18/14/600801814.db2.gz QXZQLYLOKZXCLG-UHFFFAOYSA-N -1 0 349.342 3.720 20 0 EHADRM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1)c1ccccc1F ZINC000776673333 600806619 /nfs/dbraw/zinc/80/66/19/600806619.db2.gz DEGPWRGYBCSJLL-BZNIZROVSA-N -1 0 349.789 3.915 20 0 EHADRM CCC(C)(C)CC(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000697268189 600806664 /nfs/dbraw/zinc/80/66/64/600806664.db2.gz YVFQBLMHCOTHEL-UHFFFAOYSA-N -1 0 328.206 3.912 20 0 EHADRM Cc1cc(C)cc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000776679121 600808445 /nfs/dbraw/zinc/80/84/45/600808445.db2.gz VMAQYVJFQARUEQ-MRXNPFEDSA-N -1 0 331.799 3.903 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)Nc1cc(F)c(F)c(F)c1)c1cccs1 ZINC000739628643 600812373 /nfs/dbraw/zinc/81/23/73/600812373.db2.gz VIDDPSZPSAVEAR-SNVBAGLBSA-N -1 0 344.314 3.503 20 0 EHADRM Cc1oc(CN(C)Cc2ncc(-c3ccc(C)cc3)o2)cc1C(=O)[O-] ZINC000652454153 600814202 /nfs/dbraw/zinc/81/42/02/600814202.db2.gz COUHZYIXHSQDLB-UHFFFAOYSA-N -1 0 340.379 3.882 20 0 EHADRM COC(=O)c1cc2cc(CSc3ncccc3C(=O)[O-])ccc2o1 ZINC000737676300 600817505 /nfs/dbraw/zinc/81/75/05/600817505.db2.gz FAYKDPDJEPUTAA-UHFFFAOYSA-N -1 0 343.360 3.605 20 0 EHADRM C[C@H](CCOc1ccccc1)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000827417931 600817947 /nfs/dbraw/zinc/81/79/47/600817947.db2.gz UFNHYEDLXXBOBM-GFCCVEGCSA-N -1 0 331.343 3.568 20 0 EHADRM CCC(=CC(=O)Nc1cc(C(=O)[O-])c[nH]c1=O)c1cccc(Cl)c1 ZINC000828550231 600818166 /nfs/dbraw/zinc/81/81/66/600818166.db2.gz SVKFKYFSBCLXPG-NTMALXAHSA-N -1 0 346.770 3.571 20 0 EHADRM O=C([O-])Nc1cccc(NC(=S)N[C@H]2CCOc3ccccc32)c1 ZINC000740041863 600819810 /nfs/dbraw/zinc/81/98/10/600819810.db2.gz WQJDQAOOZBPTCC-AWEZNQCLSA-N -1 0 343.408 3.587 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=S)Nc2ccc(F)cc2)cc1 ZINC000736233355 600820849 /nfs/dbraw/zinc/82/08/49/600820849.db2.gz YPKZOMJWMFAITC-UHFFFAOYSA-N -1 0 332.400 3.997 20 0 EHADRM COc1ccc(C(=O)[O-])c(NCc2ncc(-c3ccccc3F)o2)c1 ZINC000832183186 600827859 /nfs/dbraw/zinc/82/78/59/600827859.db2.gz RENVGJBDYROJOO-UHFFFAOYSA-N -1 0 342.326 3.800 20 0 EHADRM Cc1oc(CN2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)cc1C(=O)[O-] ZINC000568066402 600835671 /nfs/dbraw/zinc/83/56/71/600835671.db2.gz YZYMBIVXOHJMPE-IFXJQAMLSA-N -1 0 343.423 3.865 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)C2CCCCCCC2)cc1 ZINC000737953368 600837893 /nfs/dbraw/zinc/83/78/93/600837893.db2.gz XBEGUXXRAKNSHZ-QGZVFWFLSA-N -1 0 333.428 3.688 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)ccc1C(=O)[O-] ZINC000237815014 600838916 /nfs/dbraw/zinc/83/89/16/600838916.db2.gz MVZOYJMQLBNBMW-DZGCQCFKSA-N -1 0 331.318 3.714 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000740066611 600840704 /nfs/dbraw/zinc/84/07/04/600840704.db2.gz UUOBDKZCQQHDKJ-VHSXEESVSA-N -1 0 335.281 3.544 20 0 EHADRM CCc1ccc(CC(=O)N(c2ccccc2)[C@H](CC)C(=O)[O-])cc1 ZINC000737260473 600842444 /nfs/dbraw/zinc/84/24/44/600842444.db2.gz OCTPSBCMVRYQDB-GOSISDBHSA-N -1 0 325.408 3.688 20 0 EHADRM Cc1ccc([C@H](CNC(=O)Nc2cccc(C)c2Cl)C(=O)[O-])cc1 ZINC000832923258 600845555 /nfs/dbraw/zinc/84/55/55/600845555.db2.gz MGYFDUADESQBJL-AWEZNQCLSA-N -1 0 346.814 3.947 20 0 EHADRM CC(C)(C)c1ncc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)s1 ZINC000736303410 600848838 /nfs/dbraw/zinc/84/88/38/600848838.db2.gz JARROSCQIPLNTF-NSHDSACASA-N -1 0 344.436 3.659 20 0 EHADRM C/C(=C\C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21)c1ccc(F)cc1 ZINC000736121435 600854772 /nfs/dbraw/zinc/85/47/72/600854772.db2.gz QPZPZRAWYQWGPI-VOMSXAGXSA-N -1 0 339.366 3.834 20 0 EHADRM Cc1ccc(CCCC(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000738589825 600855539 /nfs/dbraw/zinc/85/55/39/600855539.db2.gz XPNXHOYNQUBGNP-KRWDZBQOSA-N -1 0 337.419 3.923 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)o2)cc1 ZINC000830229230 600857246 /nfs/dbraw/zinc/85/72/46/600857246.db2.gz NCUOELNEPHUGLS-SJKOYZFVSA-N -1 0 329.396 3.738 20 0 EHADRM Cc1ccc(C(C)(C)C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000738546517 600862208 /nfs/dbraw/zinc/86/22/08/600862208.db2.gz HMLJQAZZTSDEHU-OAHLLOKOSA-N -1 0 337.419 3.878 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@H](c1ccccc1)C(C)C ZINC000236623232 600865450 /nfs/dbraw/zinc/86/54/50/600865450.db2.gz WKDXUBQOBBKQAT-IBGZPJMESA-N -1 0 341.407 3.837 20 0 EHADRM C[C@H](CC(=O)Nc1cc(C(=O)[O-])c(F)cc1Br)C1CC1 ZINC000736547920 600867564 /nfs/dbraw/zinc/86/75/64/600867564.db2.gz GJSHIKSJADWRKK-SSDOTTSWSA-N -1 0 344.180 3.661 20 0 EHADRM Cc1cc2cc(C(=O)N3Cc4ccccc4C[C@H]3C(=O)[O-])oc2cc1C ZINC000237836111 600867655 /nfs/dbraw/zinc/86/76/55/600867655.db2.gz WWDNOEJJKMETIU-KRWDZBQOSA-N -1 0 349.386 3.701 20 0 EHADRM CN(C(=O)/C=C/C1CC1)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000830464800 600872464 /nfs/dbraw/zinc/87/24/64/600872464.db2.gz MOHXIOWKEKAMPV-BTKRWWFXSA-N -1 0 328.195 3.544 20 0 EHADRM CCCc1ccc(C(=O)Nc2cc(C(=O)[O-])cc(OC)c2OC)cc1 ZINC000262544240 600876379 /nfs/dbraw/zinc/87/63/79/600876379.db2.gz SIBOAQGUEGQDLQ-UHFFFAOYSA-N -1 0 343.379 3.607 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)Nc3ccc(CC(=O)[O-])cc3)c2c1 ZINC000347103881 600877374 /nfs/dbraw/zinc/87/73/74/600877374.db2.gz ATYKDKAABASCGP-UHFFFAOYSA-N -1 0 336.391 3.675 20 0 EHADRM C[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000736625215 600880720 /nfs/dbraw/zinc/88/07/20/600880720.db2.gz DOCSQZBGPQDVPT-AWEZNQCLSA-N -1 0 325.408 3.866 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)CCc2ccccc2F)c1 ZINC000832178712 600883075 /nfs/dbraw/zinc/88/30/75/600883075.db2.gz KJXFTWIPANFHFR-LBPRGKRZSA-N -1 0 345.370 3.740 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CCCC(C)(C)CC1)C(=O)[O-] ZINC000237550248 600883484 /nfs/dbraw/zinc/88/34/84/600883484.db2.gz GFIHZYIGKQBDOL-ZDUSSCGKSA-N -1 0 335.469 3.904 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CCSc1ccccc1F ZINC000390260029 600885334 /nfs/dbraw/zinc/88/53/34/600885334.db2.gz HHTAAEMIPHFCQM-UHFFFAOYSA-N -1 0 333.384 3.953 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCC(=Cc3cccc(F)c3)CC2)C1 ZINC000262538636 600895029 /nfs/dbraw/zinc/89/50/29/600895029.db2.gz KOTUIUCHROHOHF-DLBZAZTESA-N -1 0 345.414 3.723 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000179964376 600896673 /nfs/dbraw/zinc/89/66/73/600896673.db2.gz SNCVVWVZHUNAFM-VXGBXAGGSA-N -1 0 339.819 3.958 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCCc2c[nH]c3ccccc23)s1 ZINC000319541340 600898782 /nfs/dbraw/zinc/89/87/82/600898782.db2.gz IFYYIMBFSQXBDU-UHFFFAOYSA-N -1 0 328.393 3.889 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@@H](c2ccccc2)C2CCCC2)C1 ZINC000245651448 600898803 /nfs/dbraw/zinc/89/88/03/600898803.db2.gz COXCXHYVCYMNMY-KSZLIROESA-N -1 0 329.440 3.925 20 0 EHADRM CCc1ccc(C(=O)CCC(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC000830228810 600901025 /nfs/dbraw/zinc/90/10/25/600901025.db2.gz GACLEPDWZWAHJT-UHFFFAOYSA-N -1 0 331.393 3.610 20 0 EHADRM C[C@H](CNC(=O)c1ccccc1NC(=O)[O-])Sc1ccccc1 ZINC000827497565 600902963 /nfs/dbraw/zinc/90/29/63/600902963.db2.gz QBYMGENDVXVVDT-GFCCVEGCSA-N -1 0 330.409 3.687 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000263269776 600903008 /nfs/dbraw/zinc/90/30/08/600903008.db2.gz LVNVYDVKNCGHMD-GXFFZTMASA-N -1 0 333.384 3.809 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000498663112 600910922 /nfs/dbraw/zinc/91/09/22/600910922.db2.gz ZPZZHZZXNUCTKD-LSDHHAIUSA-N -1 0 333.428 3.941 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)c2cc3cc(F)ccc3[nH]2)c2ccccc21 ZINC000739645868 600912301 /nfs/dbraw/zinc/91/23/01/600912301.db2.gz GDZARAPYAIBFPF-LBPRGKRZSA-N -1 0 338.338 3.526 20 0 EHADRM CCCN(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)[C@@H]1CCc2ccccc21 ZINC000829453214 600914007 /nfs/dbraw/zinc/91/40/07/600914007.db2.gz PRPFKFQEOUGWDV-JFIYKMOQSA-N -1 0 329.440 3.804 20 0 EHADRM Cc1ccc(C[C@@H]2CCCN(C(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)C2)cc1 ZINC000516885840 600916885 /nfs/dbraw/zinc/91/68/85/600916885.db2.gz MEVMOQUPESZVQK-GBESFXJTSA-N -1 0 343.467 3.667 20 0 EHADRM O=C([O-])NCCC(=O)N(C1CC1)[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000833279499 600921926 /nfs/dbraw/zinc/92/19/26/600921926.db2.gz AJNIJUJJPTZDQS-IAGOWNOFSA-N -1 0 336.476 3.774 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccc(Oc3ccccc3)cn2)C1 ZINC000833188232 600931359 /nfs/dbraw/zinc/93/13/59/600931359.db2.gz WZQYBXVKJUOSOX-KBPBESRZSA-N -1 0 340.379 3.703 20 0 EHADRM COc1cccc(CCC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000262245605 600932963 /nfs/dbraw/zinc/93/29/63/600932963.db2.gz PPCFZYQWQNZION-UHFFFAOYSA-N -1 0 341.407 3.629 20 0 EHADRM CCCC[C@@H](Sc1nnc(C)n1CCc1cccs1)C(=O)[O-] ZINC000736986365 600937499 /nfs/dbraw/zinc/93/74/99/600937499.db2.gz UXAQEYCCHPTKFA-CYBMUJFWSA-N -1 0 339.486 3.626 20 0 EHADRM C[C@@H](CNC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1F ZINC000237540920 600938335 /nfs/dbraw/zinc/93/83/35/600938335.db2.gz OIJTVVZFGRFIIS-LBPRGKRZSA-N -1 0 347.361 3.516 20 0 EHADRM C[C@H](CNC(=O)c1ccccc1NC(=O)[O-])c1ccc(F)cc1F ZINC000827497213 600938492 /nfs/dbraw/zinc/93/84/92/600938492.db2.gz LUTMUHJKPNKYMO-SNVBAGLBSA-N -1 0 334.322 3.588 20 0 EHADRM CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)c1cccc(C(=O)[O-])c1 ZINC000826688333 600938557 /nfs/dbraw/zinc/93/85/57/600938557.db2.gz YCLIRNFBRVDVPG-SFHVURJKSA-N -1 0 343.398 3.863 20 0 EHADRM O=C([O-])c1cccc(COC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)c1 ZINC000833329065 600945228 /nfs/dbraw/zinc/94/52/28/600945228.db2.gz VHRSUNXZWAQRLS-KBPBESRZSA-N -1 0 332.302 3.510 20 0 EHADRM COc1ccc2c(c1)CCC[C@H]2CC(=O)O[C@H](CC(C)C)C(=O)[O-] ZINC000832493728 600950527 /nfs/dbraw/zinc/95/05/27/600950527.db2.gz RHILQENQTBRJBC-WMLDXEAASA-N -1 0 334.412 3.548 20 0 EHADRM CN(Cc1ccccn1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000737493509 600952178 /nfs/dbraw/zinc/95/21/78/600952178.db2.gz BUDHEAALXDEMCD-AWEZNQCLSA-N -1 0 325.195 3.646 20 0 EHADRM Cc1ccc([C@@H]2CSCCN2C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000245686040 600956795 /nfs/dbraw/zinc/95/67/95/600956795.db2.gz JPBGEORKBWFGJL-BBWFWOEESA-N -1 0 347.480 3.503 20 0 EHADRM O=C([O-])C[C@H]1CN(Cc2csc(-c3ccco3)n2)c2ccccc21 ZINC000325225269 600958590 /nfs/dbraw/zinc/95/85/90/600958590.db2.gz QDRODIBQPJSTFJ-LBPRGKRZSA-N -1 0 340.404 3.982 20 0 EHADRM CCOc1c(F)cccc1C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000830027235 600965023 /nfs/dbraw/zinc/96/50/23/600965023.db2.gz SONAIGOEZQLAET-UHFFFAOYSA-N -1 0 337.734 3.828 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)s1 ZINC000833318536 600967783 /nfs/dbraw/zinc/96/77/83/600967783.db2.gz JFNUDZNIOVVUHF-SCLBCKFNSA-N -1 0 327.405 3.679 20 0 EHADRM O=C([O-])Nc1ccc(NC(=S)N[C@H]2CCc3ccccc3C2)cc1 ZINC000833290430 600971325 /nfs/dbraw/zinc/97/13/25/600971325.db2.gz SNBZXNKOXZRMMT-INIZCTEOSA-N -1 0 341.436 3.620 20 0 EHADRM Cc1cccc(C)c1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000237622280 600972029 /nfs/dbraw/zinc/97/20/29/600972029.db2.gz IWMCKPXITSHDKW-UHFFFAOYSA-N -1 0 329.421 3.874 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000829009355 600972553 /nfs/dbraw/zinc/97/25/53/600972553.db2.gz BZYOPKGEDICECU-JMSVASOKSA-N -1 0 337.391 3.836 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2cccc(CC(F)(F)F)c2)C1 ZINC000647162197 600975546 /nfs/dbraw/zinc/97/55/46/600975546.db2.gz IFQVDMRUYBOQAY-NEPJUHHUSA-N -1 0 329.318 3.621 20 0 EHADRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)[C@@H](C)C(C)C ZINC000832847943 600979189 /nfs/dbraw/zinc/97/91/89/600979189.db2.gz FIZMDDIBEJHTLN-QMMMGPOBSA-N -1 0 328.206 3.686 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cccc2c1CCC2)c1cccc(Cl)c1 ZINC000799244697 600980077 /nfs/dbraw/zinc/98/00/77/600980077.db2.gz HYEPZQJIPWFIMW-QGZVFWFLSA-N -1 0 343.810 3.775 20 0 EHADRM CC(C)CCc1nc(COC(=O)c2ccc(C(=O)[O-])cc2)cs1 ZINC000736436056 600981780 /nfs/dbraw/zinc/98/17/80/600981780.db2.gz PERJIXPAYDYTAJ-UHFFFAOYSA-N -1 0 333.409 3.787 20 0 EHADRM CN(Cc1ccc(OC(F)F)cc1)[C@@H](C(=O)[O-])c1ccccc1F ZINC000830840108 600981758 /nfs/dbraw/zinc/98/17/58/600981758.db2.gz KMLTUYMPQJZPBP-OAHLLOKOSA-N -1 0 339.313 3.685 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000175061262 600982095 /nfs/dbraw/zinc/98/20/95/600982095.db2.gz HKKHBYDPKOVSAQ-MNOVXSKESA-N -1 0 329.318 3.843 20 0 EHADRM Cc1cc(C(=O)[C@H](C)SC[C@H](C)C(=O)[O-])c(C)n1Cc1ccco1 ZINC000738320280 600987013 /nfs/dbraw/zinc/98/70/13/600987013.db2.gz QYWJEUFMPUONHT-FZMZJTMJSA-N -1 0 349.452 3.771 20 0 EHADRM Cc1ccc(NC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cc1Cl ZINC000320819325 600994077 /nfs/dbraw/zinc/99/40/77/600994077.db2.gz YEYXTTPFXATVND-CQSZACIVSA-N -1 0 332.787 3.638 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1CCSc2ccccc21 ZINC000738524033 600994292 /nfs/dbraw/zinc/99/42/92/600994292.db2.gz AAIWHBBUAVJMMA-CQSZACIVSA-N -1 0 327.405 3.911 20 0 EHADRM COc1ccccc1NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000325340755 600994630 /nfs/dbraw/zinc/99/46/30/600994630.db2.gz DMFZVYAHULEOKG-UHFFFAOYSA-N -1 0 328.368 3.701 20 0 EHADRM Cc1cc(C)c(NC(=O)NC[C@H](C(=O)[O-])c2ccccc2)c(C)c1 ZINC000324843037 600994684 /nfs/dbraw/zinc/99/46/84/600994684.db2.gz DGOHXONAXRBENY-INIZCTEOSA-N -1 0 326.396 3.602 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)[C@@H]2CCSc3ccccc32)c1 ZINC000737939680 600996108 /nfs/dbraw/zinc/99/61/08/600996108.db2.gz KSXWGPQKLONISH-CYBMUJFWSA-N -1 0 344.388 3.578 20 0 EHADRM COc1cccc(F)c1[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000832558603 600997069 /nfs/dbraw/zinc/99/70/69/600997069.db2.gz OTIWLZBVGGABBN-LLVKDONJSA-N -1 0 346.358 3.724 20 0 EHADRM C[C@H](C(=O)Nc1cccc(OCC(=O)[O-])c1)c1cccc(Cl)c1 ZINC000537369369 601001912 /nfs/dbraw/zinc/00/19/12/601001912.db2.gz SSEMJLCERYAJAN-NSHDSACASA-N -1 0 333.771 3.546 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(Cc1nc3ccccc3n1C(F)F)C2 ZINC000833326290 601003183 /nfs/dbraw/zinc/00/31/83/601003183.db2.gz MJAWWKALHSYODT-UHFFFAOYSA-N -1 0 343.333 3.645 20 0 EHADRM CC[C@@](NC(=O)c1cc2cccc(F)c2o1)(C(=O)[O-])c1ccccc1 ZINC000675983639 601010457 /nfs/dbraw/zinc/01/04/57/601010457.db2.gz QJZGEGRDDYZYMK-IBGZPJMESA-N -1 0 341.338 3.692 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000236752096 601011143 /nfs/dbraw/zinc/01/11/43/601011143.db2.gz WGWBUAPUHYSBKW-KBPBESRZSA-N -1 0 344.238 3.809 20 0 EHADRM CN(Cc1csc(-c2cccc(C(=O)[O-])c2)n1)c1cccc(O)c1 ZINC000830869706 601011432 /nfs/dbraw/zinc/01/14/32/601011432.db2.gz DWCFTPODOJVIHM-UHFFFAOYSA-N -1 0 340.404 3.850 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)c1cccc(F)c1 ZINC000736216935 601017893 /nfs/dbraw/zinc/01/78/93/601017893.db2.gz SQWUQRDXCYMECU-GFCCVEGCSA-N -1 0 330.359 3.678 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC000736621924 601026071 /nfs/dbraw/zinc/02/60/71/601026071.db2.gz GFTVKSMHHNIMLG-ZDUSSCGKSA-N -1 0 347.361 3.651 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1 ZINC000830514430 601030187 /nfs/dbraw/zinc/03/01/87/601030187.db2.gz RTUSZCVZNVRWPA-GZBFAFLISA-N -1 0 331.416 3.891 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000832777597 601032954 /nfs/dbraw/zinc/03/29/54/601032954.db2.gz TZVILKLPAIRAIL-SNVBAGLBSA-N -1 0 344.864 3.930 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N1C2CCCC1CCC2)C(=O)[O-] ZINC000736714638 601033203 /nfs/dbraw/zinc/03/32/03/601033203.db2.gz YIPJONMYSYSBCK-IYXRBSQSSA-N -1 0 333.453 3.799 20 0 EHADRM CC1CCC(N(C[C@H]2CCCO2)C(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000236787016 601034245 /nfs/dbraw/zinc/03/42/45/601034245.db2.gz QOURDPIXKVASNZ-IUPXNIOVSA-N -1 0 345.439 3.585 20 0 EHADRM CC[C@@]1(C)CCCN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC000829043834 601035152 /nfs/dbraw/zinc/03/51/52/601035152.db2.gz GBJRWQVHQKEBAH-SFHVURJKSA-N -1 0 334.416 3.584 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)cc1 ZINC000737257412 601038235 /nfs/dbraw/zinc/03/82/35/601038235.db2.gz OKSPMZSUVLUXFV-NSHDSACASA-N -1 0 344.436 3.703 20 0 EHADRM COc1cccc(F)c1[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000832558519 601040320 /nfs/dbraw/zinc/04/03/20/601040320.db2.gz NASQDBLXNSJLJV-NSHDSACASA-N -1 0 346.358 3.724 20 0 EHADRM Cc1ccc(CC[C@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)o1 ZINC000832930960 601040909 /nfs/dbraw/zinc/04/09/09/601040909.db2.gz WKXPBNSYFRXPHV-LBPRGKRZSA-N -1 0 330.384 3.737 20 0 EHADRM CC[C@]1(C)CCCN(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C1 ZINC000829043551 601051637 /nfs/dbraw/zinc/05/16/37/601051637.db2.gz AGKMRQKSVUSKNI-GOSISDBHSA-N -1 0 333.432 3.840 20 0 EHADRM C[C@H](C(=O)Nc1ncc(C(=O)[O-])s1)c1ccc(Cl)c(Cl)c1 ZINC000826027218 601056458 /nfs/dbraw/zinc/05/64/58/601056458.db2.gz UYHPMHBEXPVABW-LURJTMIESA-N -1 0 345.207 3.890 20 0 EHADRM Cc1ccc2c(CCC(=O)Nc3ccc(CC(=O)[O-])cc3)c[nH]c2c1 ZINC000832959040 601059283 /nfs/dbraw/zinc/05/92/83/601059283.db2.gz AWSMBVPHTALPIC-UHFFFAOYSA-N -1 0 336.391 3.675 20 0 EHADRM CCC(CC)(NC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000342523447 601059588 /nfs/dbraw/zinc/05/95/88/601059588.db2.gz JXKXBUKMPWWGKI-VIFPVBQESA-N -1 0 332.227 3.857 20 0 EHADRM CCC(CC)(NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000342523436 601059653 /nfs/dbraw/zinc/05/96/53/601059653.db2.gz JXKXBUKMPWWGKI-SECBINFHSA-N -1 0 332.227 3.857 20 0 EHADRM COc1cccc2cc(C(=O)Nc3ccc(C)c(C(=O)[O-])c3)oc21 ZINC000237355333 601062896 /nfs/dbraw/zinc/06/28/96/601062896.db2.gz IVHGMGHCUJXYCE-UHFFFAOYSA-N -1 0 325.320 3.700 20 0 EHADRM CC(C)C[C@@H](CNC(=O)[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000643865227 601063580 /nfs/dbraw/zinc/06/35/80/601063580.db2.gz FHNQFXOKVHJHAT-NEPJUHHUSA-N -1 0 345.361 3.672 20 0 EHADRM Cc1cccc(C(=O)O[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)n1 ZINC000832963536 601071976 /nfs/dbraw/zinc/07/19/76/601071976.db2.gz WQCXWIJKPOODOP-ZDUSSCGKSA-N -1 0 340.162 3.680 20 0 EHADRM Cc1ccc([C@H](C)C(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])o1 ZINC000832923023 601080580 /nfs/dbraw/zinc/08/05/80/601080580.db2.gz FRBFPVRNTZLIOY-IMJJTQAJSA-N -1 0 333.428 3.574 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)CCc1ccc(F)cc1 ZINC000833177470 601081924 /nfs/dbraw/zinc/08/19/24/601081924.db2.gz OUZASXCVSGADSW-AEFFLSMTSA-N -1 0 347.430 3.640 20 0 EHADRM C[C@@H](C(=O)NC(C)(C)CCC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000262645584 601082715 /nfs/dbraw/zinc/08/27/15/601082715.db2.gz QYFVNLAIAUYBFQ-SECBINFHSA-N -1 0 332.227 3.857 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1cc2occc2s1 ZINC000833179356 601089745 /nfs/dbraw/zinc/08/97/45/601089745.db2.gz MZIBSCXPUJOSTK-OLZOCXBDSA-N -1 0 347.436 3.990 20 0 EHADRM Cc1cccc(CNC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000325338933 601091258 /nfs/dbraw/zinc/09/12/58/601091258.db2.gz CVMYGNVFGRYFES-UHFFFAOYSA-N -1 0 326.396 3.679 20 0 EHADRM Cc1occc1CN(C)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000325203797 601091500 /nfs/dbraw/zinc/09/15/00/601091500.db2.gz GWWWQPYWYGVRBT-UHFFFAOYSA-N -1 0 330.384 3.614 20 0 EHADRM C[C@@H]1CC(NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C[C@@H](C)C1 ZINC000391755394 601091533 /nfs/dbraw/zinc/09/15/33/601091533.db2.gz BRXCEKFBKOHKLG-STQMWFEESA-N -1 0 332.444 3.995 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NCCOC2CCCCC2)cc1 ZINC000327588077 601092633 /nfs/dbraw/zinc/09/26/33/601092633.db2.gz RSQRQJJSEOOSCJ-UHFFFAOYSA-N -1 0 348.443 3.520 20 0 EHADRM CCOc1ccc(C(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])cc1 ZINC000830059579 601093254 /nfs/dbraw/zinc/09/32/54/601093254.db2.gz GWZHVXGWQMNJJY-AEFFLSMTSA-N -1 0 345.439 3.581 20 0 EHADRM Cc1cccc(F)c1CNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000832970540 601093601 /nfs/dbraw/zinc/09/36/01/601093601.db2.gz ZVHTUEGTSOOIKH-UHFFFAOYSA-N -1 0 344.386 3.818 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000832993848 601106974 /nfs/dbraw/zinc/10/69/74/601106974.db2.gz HINCPKUUHHYREO-GFCCVEGCSA-N -1 0 337.372 3.697 20 0 EHADRM Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000237716069 601109820 /nfs/dbraw/zinc/10/98/20/601109820.db2.gz WOZCHQNEASFOLX-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM Cc1ccc(NC(=O)C[C@H](C)C(=O)c2cccc(F)c2)cc1C(=O)[O-] ZINC000832942488 601110269 /nfs/dbraw/zinc/11/02/69/601110269.db2.gz CQGVEFHYRJPGPB-LBPRGKRZSA-N -1 0 343.354 3.680 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000827908152 601111864 /nfs/dbraw/zinc/11/18/64/601111864.db2.gz FPNRBLBFUYJNRY-WBMJQRKESA-N -1 0 348.395 3.817 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000183961626 601125640 /nfs/dbraw/zinc/12/56/40/601125640.db2.gz SLWUQHYWLWECGG-DTWKUNHWSA-N -1 0 347.745 3.771 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NCc2ccc(Cl)cc2Cl)C1 ZINC000183961209 601125676 /nfs/dbraw/zinc/12/56/76/601125676.db2.gz APIFLWAOKDPLQG-VHSXEESVSA-N -1 0 330.211 3.501 20 0 EHADRM Cc1cc(Br)ccc1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000108654580 601125806 /nfs/dbraw/zinc/12/58/06/601125806.db2.gz PFKPVRUGJMBKIY-GHMZBOCLSA-N -1 0 340.217 3.587 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc2ccccc2c1 ZINC000245918456 601125905 /nfs/dbraw/zinc/12/59/05/601125905.db2.gz GTCLZPHCZHWJJO-MORSLUCNSA-N -1 0 325.408 3.908 20 0 EHADRM Cc1cc(NC(=O)N(C[C@H]2CCCO2)C2CCCC2)ccc1C(=O)[O-] ZINC000832895427 601127941 /nfs/dbraw/zinc/12/79/41/601127941.db2.gz VREWGSYBPHKVTK-MRXNPFEDSA-N -1 0 346.427 3.649 20 0 EHADRM CC(C)Cn1cc(NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cn1 ZINC000826918082 601130206 /nfs/dbraw/zinc/13/02/06/601130206.db2.gz SNJJVCMFLQJQFX-UHFFFAOYSA-N -1 0 336.779 3.535 20 0 EHADRM COc1cccc([C@H](C)NC(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC000832533866 601136966 /nfs/dbraw/zinc/13/69/66/601136966.db2.gz RYNFQIXBOPDWTH-LBPRGKRZSA-N -1 0 328.368 3.585 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c(F)cc1F ZINC000832864974 601137786 /nfs/dbraw/zinc/13/77/86/601137786.db2.gz JZFXHJMCYOIORV-UHFFFAOYSA-N -1 0 349.333 3.769 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c(F)cc1F ZINC000326025081 601138942 /nfs/dbraw/zinc/13/89/42/601138942.db2.gz QXVVCBJTZQBLDK-UHFFFAOYSA-N -1 0 333.334 3.888 20 0 EHADRM Cc1ccc2c(CC(=O)N(CC(=O)[O-])c3cccc(F)c3)coc2c1 ZINC000832960851 601141466 /nfs/dbraw/zinc/14/14/66/601141466.db2.gz TYWVDMUDKZDHNC-UHFFFAOYSA-N -1 0 341.338 3.541 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc(Cl)c(Cl)c1)c1cccc(F)c1 ZINC000833245914 601146331 /nfs/dbraw/zinc/14/63/31/601146331.db2.gz YOPMCUJGTKIRNZ-UHFFFAOYSA-N -1 0 342.153 3.864 20 0 EHADRM Cc1nc(NC(=O)c2ccc(Oc3ccccc3)o2)sc1C(=O)[O-] ZINC000833001946 601151425 /nfs/dbraw/zinc/15/14/25/601151425.db2.gz FEAMJEXZJDACJY-UHFFFAOYSA-N -1 0 344.348 3.787 20 0 EHADRM CC[C@@](NC(=O)CCCc1ccc(C)s1)(C(=O)[O-])c1ccccc1 ZINC000554100906 601155236 /nfs/dbraw/zinc/15/52/36/601155236.db2.gz WEADLDBYNBTYTF-IBGZPJMESA-N -1 0 345.464 3.886 20 0 EHADRM CSc1ccc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000237311259 601161381 /nfs/dbraw/zinc/16/13/81/601161381.db2.gz UDEVVXRHBZBOJY-LRDDRELGSA-N -1 0 329.421 3.600 20 0 EHADRM CC(C)Oc1ccc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000675998274 601161941 /nfs/dbraw/zinc/16/19/41/601161941.db2.gz HDLKUUJQFIDRMT-KSSFIOAISA-N -1 0 341.407 3.666 20 0 EHADRM Cc1cccc2cc(C(=O)N[C@@H](c3ccccc3)[C@H](C)C(=O)[O-])oc21 ZINC000486043827 601169297 /nfs/dbraw/zinc/16/92/97/601169297.db2.gz WZRCRZACKJLEDC-SUMWQHHRSA-N -1 0 337.375 3.933 20 0 EHADRM Cc1ccccc1CCC(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000237607873 601171870 /nfs/dbraw/zinc/17/18/70/601171870.db2.gz OZHBJFOTGOXVCA-KXBFYZLASA-N -1 0 325.408 3.506 20 0 EHADRM C[C@H](OC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ncc(-c2ccccc2)o1 ZINC000827827129 601175633 /nfs/dbraw/zinc/17/56/33/601175633.db2.gz QKRYUPGXUWOXTN-AEGPPILISA-N -1 0 343.379 3.837 20 0 EHADRM C[C@H](CNC(=O)c1ccc(Oc2ccccc2Cl)cc1)C(=O)[O-] ZINC000827496412 601180880 /nfs/dbraw/zinc/18/08/80/601180880.db2.gz AAYKQJHQSDFMLE-LLVKDONJSA-N -1 0 333.771 3.583 20 0 EHADRM Cc1ccc2nc(C3CC3)cc(C(=O)NC(C)(C)CCC(=O)[O-])c2c1 ZINC000237902507 601181473 /nfs/dbraw/zinc/18/14/73/601181473.db2.gz ZAXXRUTXSMKNRO-UHFFFAOYSA-N -1 0 340.423 3.794 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000532000141 601184448 /nfs/dbraw/zinc/18/44/48/601184448.db2.gz GRGSRKWUDORRSI-CQSZACIVSA-N -1 0 335.469 3.602 20 0 EHADRM Cc1c(C(=O)O[C@@H](C(=O)[O-])c2ccccc2F)cnc2ccccc12 ZINC000832854366 601188974 /nfs/dbraw/zinc/18/89/74/601188974.db2.gz WJCQBAMRNGGHGM-QGZVFWFLSA-N -1 0 339.322 3.665 20 0 EHADRM CCS[C@H]1CCC[C@H](NC(=O)Nc2cccc(NC(=O)[O-])c2)C1 ZINC000830158355 601191824 /nfs/dbraw/zinc/19/18/24/601191824.db2.gz VITPGCXMFRLKRJ-KBPBESRZSA-N -1 0 337.445 3.962 20 0 EHADRM C[C@@H](CNc1nc(Cl)c(C(=O)[O-])s1)c1nc2ccccc2o1 ZINC000827512213 601201646 /nfs/dbraw/zinc/20/16/46/601201646.db2.gz KCBLQXNXYCFVFG-ZETCQYMHSA-N -1 0 337.788 3.852 20 0 EHADRM O=C([O-])C[C@@H](O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000833265102 601208216 /nfs/dbraw/zinc/20/82/16/601208216.db2.gz SSDIGIHYPIUXQI-NVXWUHKLSA-N -1 0 336.840 3.998 20 0 EHADRM O=C([O-])NCc1ccc(NCCCOc2ccc(Cl)cc2)cc1 ZINC000833280162 601210361 /nfs/dbraw/zinc/21/03/61/601210361.db2.gz BKEWNVIFKPFSQV-UHFFFAOYSA-N -1 0 334.803 3.989 20 0 EHADRM COc1ccc(OCCCNc2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC000832443952 601211007 /nfs/dbraw/zinc/21/10/07/601211007.db2.gz DDEKHAXXCKQKFJ-UHFFFAOYSA-N -1 0 343.423 3.938 20 0 EHADRM Cc1cc(OCc2nc(Cc3ccccc3C)no2)c(C(=O)[O-])s1 ZINC000832900751 601228726 /nfs/dbraw/zinc/22/87/26/601228726.db2.gz LPLHQORBHKEDGQ-UHFFFAOYSA-N -1 0 344.392 3.616 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)CC(C)(C)c1ccccc1)c1ccccc1 ZINC000237653567 601244174 /nfs/dbraw/zinc/24/41/74/601244174.db2.gz UDRYFNCQLRHYRT-DNVCBOLYSA-N -1 0 339.435 3.933 20 0 EHADRM COc1ccc([C@@H](C)N(C)c2nc(Cl)c(C(=O)[O-])s2)cc1 ZINC000832221003 601248543 /nfs/dbraw/zinc/24/85/43/601248543.db2.gz PXSRUHHCTUSBQV-MRVPVSSYSA-N -1 0 326.805 3.701 20 0 EHADRM C[C@H](c1cc(F)ccc1F)N(C)c1nc(Cl)c(C(=O)[O-])s1 ZINC000827928711 601249342 /nfs/dbraw/zinc/24/93/42/601249342.db2.gz NUWHNLGNESGYOM-ZCFIWIBFSA-N -1 0 332.759 3.970 20 0 EHADRM COc1cccc(/C(C)=C\C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC000776630761 601253227 /nfs/dbraw/zinc/25/32/27/601253227.db2.gz XFKIMHLISNWJGM-FLIBITNWSA-N -1 0 329.327 3.575 20 0 EHADRM CCC1CCC(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)(C(=O)[O-])CC1 ZINC000325218836 601276924 /nfs/dbraw/zinc/27/69/24/601276924.db2.gz APUHBXPWKSWVBS-BWAOXVRWSA-N -1 0 349.393 3.895 20 0 EHADRM C[C@@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1ccc(C(C)(C)C)cc1 ZINC000827709557 601277561 /nfs/dbraw/zinc/27/75/61/601277561.db2.gz BZBKKXNFMUIEHH-GFCCVEGCSA-N -1 0 326.396 3.568 20 0 EHADRM CC(C)=C(C)C(=O)N(C)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000826642132 601282450 /nfs/dbraw/zinc/28/24/50/601282450.db2.gz PTORADJYSVUVNI-ZDUSSCGKSA-N -1 0 330.211 3.934 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000237006659 601283524 /nfs/dbraw/zinc/28/35/24/601283524.db2.gz QIRMDPYLAIYHRV-SFHVURJKSA-N -1 0 341.407 3.808 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000776641808 601284258 /nfs/dbraw/zinc/28/42/58/601284258.db2.gz GIIBLLPQURISMT-GPZRYRNASA-N -1 0 341.382 3.522 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000825798754 601285481 /nfs/dbraw/zinc/28/54/81/601285481.db2.gz WQQWBEAVFKEBRL-ZRDIBKRKSA-N -1 0 328.343 3.635 20 0 EHADRM CSc1ccc(NC(=O)NC2CCC(C(=O)[O-])CC2)cc1Cl ZINC000263093043 601314999 /nfs/dbraw/zinc/31/49/99/601314999.db2.gz SWSWCSNDOOHSAY-UHFFFAOYSA-N -1 0 342.848 3.827 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Nc2ccc(F)cc2C#N)cc1 ZINC000327037332 601338113 /nfs/dbraw/zinc/33/81/13/601338113.db2.gz OFWBQWPWWZKLFN-UHFFFAOYSA-N -1 0 341.342 3.704 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccc(Cl)s1 ZINC000761663373 601391918 /nfs/dbraw/zinc/39/19/18/601391918.db2.gz KIGYWGAFIXUMLL-SSDOTTSWSA-N -1 0 327.764 3.981 20 0 EHADRM C[C@H](C(=O)N[C@H](CC(=O)[O-])c1cccs1)c1ccc(Cl)s1 ZINC000683298510 601392365 /nfs/dbraw/zinc/39/23/65/601392365.db2.gz DXWVRMDVSMFCPY-DTWKUNHWSA-N -1 0 343.857 3.899 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)Cn1cc2ccccc2n1 ZINC000833122702 601402906 /nfs/dbraw/zinc/40/29/06/601402906.db2.gz JJPQDMNYFZZFEY-UHFFFAOYSA-N -1 0 345.358 3.526 20 0 EHADRM C/C(=C\COC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000825765821 601414402 /nfs/dbraw/zinc/41/44/02/601414402.db2.gz YCKQUKVUCXEJQR-DHZHZOJOSA-N -1 0 349.770 3.502 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)NCC2(C(=O)[O-])CCCC2)c(C)c1 ZINC000832921037 601424845 /nfs/dbraw/zinc/42/48/45/601424845.db2.gz JYOKNCZUBYJOSC-HNNXBMFYSA-N -1 0 332.444 3.651 20 0 EHADRM O=C([O-])CC1(NC(=O)/C=C/c2cccc(OC3CCCC3)c2)CCC1 ZINC000767067654 601438406 /nfs/dbraw/zinc/43/84/06/601438406.db2.gz DUZXZKQRSKGMAS-MDZDMXLPSA-N -1 0 343.423 3.535 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)C/C=C\c1cccc(F)c1 ZINC000833325748 601446209 /nfs/dbraw/zinc/44/62/09/601446209.db2.gz VZRSMAGZGCWAAZ-RQOWECAXSA-N -1 0 325.339 3.517 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)c2c(F)c(F)cc(F)c2F)c1 ZINC000833289751 601449401 /nfs/dbraw/zinc/44/94/01/601449401.db2.gz VIVPVDVCZUUQGX-UHFFFAOYSA-N -1 0 328.221 3.585 20 0 EHADRM C[C@@H](OC(=O)C1(c2cccc(F)c2)CCC1)c1ccc(C(=O)[O-])o1 ZINC000827819288 601458982 /nfs/dbraw/zinc/45/89/82/601458982.db2.gz ZLXZUBQMFDUKGJ-LLVKDONJSA-N -1 0 332.327 3.843 20 0 EHADRM Cc1ccc(N2CCCC2)c(C(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC000832937975 601467170 /nfs/dbraw/zinc/46/71/70/601467170.db2.gz CXSBXVOAFXYPDZ-CYBMUJFWSA-N -1 0 343.379 3.804 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000237115656 601469971 /nfs/dbraw/zinc/46/99/71/601469971.db2.gz SHHLEHHPJLRGAT-BFQNTYOBSA-N -1 0 344.238 3.857 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N(C[C@@H]2CCCO2)C2CCCC2)cc1 ZINC000833285151 601479257 /nfs/dbraw/zinc/47/92/57/601479257.db2.gz AQHGUPDKSQJJPU-INIZCTEOSA-N -1 0 347.415 3.732 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)OCc2cc(C(=O)[O-])oc2C)c1 ZINC000832528749 601485138 /nfs/dbraw/zinc/48/51/38/601485138.db2.gz PSFVQKQCERMZKS-NSHDSACASA-N -1 0 332.352 3.532 20 0 EHADRM CCc1ccc(CC)c(NC(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC000656602302 601486852 /nfs/dbraw/zinc/48/68/52/601486852.db2.gz AOYPSCLLPBQJHA-UHFFFAOYSA-N -1 0 332.444 3.920 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)CC/C=C\c1ccccc1 ZINC000486035767 601496106 /nfs/dbraw/zinc/49/61/06/601496106.db2.gz JPHGCCMQBOLLQG-GFXXNKMTSA-N -1 0 335.403 3.691 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2ccc3ccc(Cl)cc3n2)o1 ZINC000833352720 601500470 /nfs/dbraw/zinc/50/04/70/601500470.db2.gz JBKYUULFGYCTDV-UHFFFAOYSA-N -1 0 331.711 3.536 20 0 EHADRM Cc1ccc(Oc2ccccc2)c(NC(=O)CCSCC(=O)[O-])c1 ZINC000832953246 601505667 /nfs/dbraw/zinc/50/56/67/601505667.db2.gz DOHJOJHCWPVLRC-UHFFFAOYSA-N -1 0 345.420 3.934 20 0 EHADRM CCCc1cc(C(=O)N(CCC(=O)[O-])Cc2ccncc2)sc1C ZINC000829562543 601510506 /nfs/dbraw/zinc/51/05/06/601510506.db2.gz JTEUDGCIXLTSKU-UHFFFAOYSA-N -1 0 346.452 3.521 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CC(c1ccccc1)c1ccccc1)C1CC1 ZINC000767076616 601518997 /nfs/dbraw/zinc/51/89/97/601518997.db2.gz NXUZQDPCTDWRHU-LJQANCHMSA-N -1 0 337.419 3.578 20 0 EHADRM O=C([O-])c1cccc(NC(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000833137536 601529290 /nfs/dbraw/zinc/52/92/90/601529290.db2.gz BNLGHNCOBDSMTF-PWSUYJOCSA-N -1 0 344.333 3.875 20 0 EHADRM O=C([O-])c1cccc(NC(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000833137535 601529315 /nfs/dbraw/zinc/52/93/15/601529315.db2.gz BNLGHNCOBDSMTF-JQWIXIFHSA-N -1 0 344.333 3.875 20 0 EHADRM Cc1cc(C)c2nc(C3CC3)cc(C(=O)N(C)C(C)(C)C(=O)[O-])c2c1 ZINC000263300583 601554425 /nfs/dbraw/zinc/55/44/25/601554425.db2.gz ZGXWRXOKGRGOKB-UHFFFAOYSA-N -1 0 340.423 3.664 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000345872232 601563479 /nfs/dbraw/zinc/56/34/79/601563479.db2.gz UVFJAWHMHFSFMP-UHFFFAOYSA-N -1 0 339.800 3.673 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)/C=C/SCc1ccco1)c1ccccc1 ZINC000181655916 601571875 /nfs/dbraw/zinc/57/18/75/601571875.db2.gz MCWWQWCVJWRCHO-TYZQSYOASA-N -1 0 345.420 3.749 20 0 EHADRM CC[C@@](NC(=O)/C=C\SCc1ccco1)(C(=O)[O-])c1ccccc1 ZINC000492831794 601572001 /nfs/dbraw/zinc/57/20/01/601572001.db2.gz BPDJCNLZTBPZDS-ANGAQGJPSA-N -1 0 345.420 3.533 20 0 EHADRM Cc1ccccc1SCC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000345755332 601580694 /nfs/dbraw/zinc/58/06/94/601580694.db2.gz XKWOIUZFZYBPKF-MRXNPFEDSA-N -1 0 349.839 3.683 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000538467127 601586562 /nfs/dbraw/zinc/58/65/62/601586562.db2.gz YNEVRIUJLYAQKL-MEDUHNTESA-N -1 0 349.789 3.600 20 0 EHADRM O=C([O-])C1(CNC(=O)CCc2ccc(Cl)c(Cl)c2)CCCC1 ZINC000767185998 601598410 /nfs/dbraw/zinc/59/84/10/601598410.db2.gz MUKDKDABGQDVGO-UHFFFAOYSA-N -1 0 344.238 3.687 20 0 EHADRM CCC[C@H](NC(=O)CNc1cc(C(=O)[O-])ccc1C)c1ccccc1 ZINC000829223599 601611448 /nfs/dbraw/zinc/61/14/48/601611448.db2.gz UNRLKURNQHAZBN-KRWDZBQOSA-N -1 0 340.423 3.763 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)/C=C/c1ccnc2ccccc12 ZINC000238090240 601613737 /nfs/dbraw/zinc/61/37/37/601613737.db2.gz RRBJMGRXKJZFNN-MDZDMXLPSA-N -1 0 332.359 3.514 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)Nc1c(F)cccc1F)c1ccccc1 ZINC000826039305 601614422 /nfs/dbraw/zinc/61/44/22/601614422.db2.gz QNENHGQPZOAKOM-HZMBPMFUSA-N -1 0 334.322 3.548 20 0 EHADRM Cc1ccc(F)cc1NC(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832934039 601614759 /nfs/dbraw/zinc/61/47/59/601614759.db2.gz HKWYSDAIPSFYSP-WBMJQRKESA-N -1 0 330.359 3.718 20 0 EHADRM Cc1ccc(NC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1F ZINC000832946907 601615193 /nfs/dbraw/zinc/61/51/93/601615193.db2.gz LNWSCMSXRVJGQH-WBMJQRKESA-N -1 0 330.359 3.718 20 0 EHADRM Cc1cccc(Oc2ccccc2NC(=O)NC[C@H](C)C(=O)[O-])c1 ZINC000832974759 601615855 /nfs/dbraw/zinc/61/58/55/601615855.db2.gz LYKPCZJSPAUOPP-ZDUSSCGKSA-N -1 0 328.368 3.630 20 0 EHADRM COc1ccc(Cl)cc1CN(C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000832368014 601616246 /nfs/dbraw/zinc/61/62/46/601616246.db2.gz QAVPJLVSPLQPGS-UHFFFAOYSA-N -1 0 337.778 3.818 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000237524770 601616863 /nfs/dbraw/zinc/61/68/63/601616863.db2.gz UYMAWMJZGKRKMK-ZDUSSCGKSA-N -1 0 329.421 3.574 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c(C)s1 ZINC000678990374 601621750 /nfs/dbraw/zinc/62/17/50/601621750.db2.gz YFTYANCQORYYKV-AWEZNQCLSA-N -1 0 337.828 3.964 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)N[C@@H](CC(=O)[O-])C3CC3)ccc21 ZINC000826917449 601623075 /nfs/dbraw/zinc/62/30/75/601623075.db2.gz CJCFVKUACWAAAS-INIZCTEOSA-N -1 0 343.427 3.672 20 0 EHADRM C[C@H](c1ccco1)N(C(=O)Nc1ccc(CNC(=O)[O-])cc1)C1CC1 ZINC000827956139 601625072 /nfs/dbraw/zinc/62/50/72/601625072.db2.gz FWBRBKBNBQIHPQ-GFCCVEGCSA-N -1 0 343.383 3.805 20 0 EHADRM Cc1ccc2c(Cl)c(C(=O)N3CCCC[C@@H]3C(=O)[O-])sc2c1 ZINC000680896862 601626640 /nfs/dbraw/zinc/62/66/40/601626640.db2.gz PNPLCHAWUCAIGO-LLVKDONJSA-N -1 0 337.828 3.942 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CN1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000833031438 601629679 /nfs/dbraw/zinc/62/96/79/601629679.db2.gz JXDJEGIRDHNVBS-UHFFFAOYSA-N -1 0 344.411 3.933 20 0 EHADRM C[C@@H]1CC(=O)c2c1c(F)ccc2OCc1ccc(C(=O)[O-])c(F)c1 ZINC000828148676 601630659 /nfs/dbraw/zinc/63/06/59/601630659.db2.gz CUXODONKXRNOEA-SECBINFHSA-N -1 0 332.302 3.932 20 0 EHADRM CC(=O)c1c(C)nc(C)nc1SCc1cc(C(=O)[O-])sc1C ZINC000825942245 601631312 /nfs/dbraw/zinc/63/13/12/601631312.db2.gz NVPDFMADVLQEER-UHFFFAOYSA-N -1 0 336.438 3.656 20 0 EHADRM O=C([O-])c1cc(NCc2nnc(-c3cccc(F)c3)o2)ccc1Cl ZINC000833301419 601632930 /nfs/dbraw/zinc/63/29/30/601632930.db2.gz ZDYRUSRSNABLIG-UHFFFAOYSA-N -1 0 347.733 3.839 20 0 EHADRM CCCCC[C@H](NC(=O)c1ccc(-c2ccsc2)nc1C)C(=O)[O-] ZINC000761846636 601642841 /nfs/dbraw/zinc/64/28/41/601642841.db2.gz PMVLOLOYDARZFL-INIZCTEOSA-N -1 0 346.452 3.882 20 0 EHADRM CC(C)[C@H](NC(=O)CCCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000236678426 601648878 /nfs/dbraw/zinc/64/88/78/601648878.db2.gz LWKHJIDSNXKQSX-NSHDSACASA-N -1 0 338.256 3.603 20 0 EHADRM Cc1c(NC(=O)CCC(=O)c2ccc(F)c(F)c2)cccc1C(=O)[O-] ZINC000832857424 601652372 /nfs/dbraw/zinc/65/23/72/601652372.db2.gz NEQJTKZALPLHGO-UHFFFAOYSA-N -1 0 347.317 3.573 20 0 EHADRM Cc1oc(COC(=O)CCCc2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC000833027689 601655113 /nfs/dbraw/zinc/65/51/13/601655113.db2.gz WNLWCMVIYOPWLV-UHFFFAOYSA-N -1 0 338.306 3.631 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NCc1csc(C(C)(C)C)n1)c1ccccc1 ZINC000277534959 601657176 /nfs/dbraw/zinc/65/71/76/601657176.db2.gz ZJKZBFARCIMKFB-WFASDCNBSA-N -1 0 332.469 3.992 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1cc(F)cc(Cl)c1 ZINC000832902287 601666169 /nfs/dbraw/zinc/66/61/69/601666169.db2.gz MMURCXAVEULYEU-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM CC(=O)c1cc(F)cc(F)c1OCc1cc(C(=O)[O-])sc1C ZINC000825946492 601675601 /nfs/dbraw/zinc/67/56/01/601675601.db2.gz AVTYEDOOJJXLLN-UHFFFAOYSA-N -1 0 326.320 3.815 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1F ZINC000327099818 601677161 /nfs/dbraw/zinc/67/71/61/601677161.db2.gz CWAGJTMVYSOOLS-CYBMUJFWSA-N -1 0 344.386 3.735 20 0 EHADRM CC[C@@H](C)c1ccc(C(=O)N(C)c2nc(CC(=O)[O-])cs2)cc1 ZINC000828765127 601678111 /nfs/dbraw/zinc/67/81/11/601678111.db2.gz XQUPPTLVYNVTOF-LLVKDONJSA-N -1 0 332.425 3.560 20 0 EHADRM Cc1oc(CN(C)C(=O)NCC2(CC(C)C)CCC2)cc1C(=O)[O-] ZINC000833025518 601680404 /nfs/dbraw/zinc/68/04/04/601680404.db2.gz LUGCCVDQVJWMML-UHFFFAOYSA-N -1 0 336.432 3.644 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2cccc(Cl)c2Cl)CCCC1 ZINC000165423943 601684752 /nfs/dbraw/zinc/68/47/52/601684752.db2.gz LOYKHGVEGTYMQC-UHFFFAOYSA-N -1 0 331.199 3.760 20 0 EHADRM CSc1cc(C)ccc1CNC(=O)c1cccc(NC(=O)[O-])c1 ZINC000832774627 601689769 /nfs/dbraw/zinc/68/97/69/601689769.db2.gz UANUMWHWFPLNNK-UHFFFAOYSA-N -1 0 330.409 3.737 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)Nc2cc(C(=O)[O-])ccc2F)ccc1F ZINC000832871471 601692776 /nfs/dbraw/zinc/69/27/76/601692776.db2.gz RXPWISLAUNOXEY-SNVBAGLBSA-N -1 0 334.322 3.854 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000262734972 601695756 /nfs/dbraw/zinc/69/57/56/601695756.db2.gz CALOLPFTBZITND-BDJLRTHQSA-N -1 0 337.375 3.687 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000832850109 601696324 /nfs/dbraw/zinc/69/63/24/601696324.db2.gz CALOLPFTBZITND-BZNIZROVSA-N -1 0 337.375 3.687 20 0 EHADRM Cc1ccccc1CC1CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000832981028 601697421 /nfs/dbraw/zinc/69/74/21/601697421.db2.gz VATWPYFDLLKOOR-UHFFFAOYSA-N -1 0 342.370 3.539 20 0 EHADRM CCCCOc1ccc(NC(=O)NCC2(C(=O)[O-])CCCC2)c(C)c1 ZINC000829421808 601699095 /nfs/dbraw/zinc/69/90/95/601699095.db2.gz IISLZSKEWBCGRX-UHFFFAOYSA-N -1 0 348.443 3.940 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1ccc(F)cc1Cl ZINC000833033697 601703446 /nfs/dbraw/zinc/70/34/46/601703446.db2.gz ZFSZJTUEQNOVRN-UHFFFAOYSA-N -1 0 328.748 3.904 20 0 EHADRM C[C@@H]1CN(C(=O)C2(Cc3cccc(Cl)c3)CCCC2)C[C@H]1C(=O)[O-] ZINC000262881902 601707181 /nfs/dbraw/zinc/70/71/81/601707181.db2.gz KQAUJJQIBHTFJF-CZUORRHYSA-N -1 0 349.858 3.622 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1cc(Cl)ccc1F ZINC000833032698 601712816 /nfs/dbraw/zinc/71/28/16/601712816.db2.gz GCGWNFLSPPJWGA-UHFFFAOYSA-N -1 0 328.748 3.904 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)C[C@@H]1C(=O)[O-] ZINC000828392626 601713168 /nfs/dbraw/zinc/71/31/68/601713168.db2.gz AJWXAGWWAFWEQX-MFKMUULPSA-N -1 0 349.839 3.861 20 0 EHADRM COc1ccc(CCCC(=O)OCc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000832299906 601725902 /nfs/dbraw/zinc/72/59/02/601725902.db2.gz PECDENWGTOAZJO-UHFFFAOYSA-N -1 0 346.354 3.599 20 0 EHADRM CSc1ccsc1C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000832790837 601728062 /nfs/dbraw/zinc/72/80/62/601728062.db2.gz WTBCNTSGJHLUTR-UHFFFAOYSA-N -1 0 326.370 3.664 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1cc(-c2ccccc2)ns1 ZINC000428094801 601730026 /nfs/dbraw/zinc/73/00/26/601730026.db2.gz IIFBWCCDMDOLAX-UHFFFAOYSA-N -1 0 338.388 3.690 20 0 EHADRM O=C([O-])c1ccc(COC(=O)CCc2cc(Cl)cs2)cc1F ZINC000833101633 601730146 /nfs/dbraw/zinc/73/01/46/601730146.db2.gz XOENQSVDINHYBA-UHFFFAOYSA-N -1 0 342.775 3.915 20 0 EHADRM CSc1ccc(NC(=O)NCC2(C(=O)[O-])CCCC2)cc1Cl ZINC000832780825 601732566 /nfs/dbraw/zinc/73/25/66/601732566.db2.gz HKIKYRTWGUIUQP-UHFFFAOYSA-N -1 0 342.848 3.828 20 0 EHADRM CCSCc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000611464038 601735186 /nfs/dbraw/zinc/73/51/86/601735186.db2.gz SUFDOAFTFWCFOZ-INIZCTEOSA-N -1 0 347.411 3.635 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1ccccc1F ZINC000678986032 601742005 /nfs/dbraw/zinc/74/20/05/601742005.db2.gz JJWPVRVJILJSDU-OAHLLOKOSA-N -1 0 346.745 3.516 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc(Cl)sc1Cl)c1ccccc1F ZINC000678985020 601742025 /nfs/dbraw/zinc/74/20/25/601742025.db2.gz IKBPPYCPVDFYBW-SNVBAGLBSA-N -1 0 348.182 3.750 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1F ZINC000678985326 601747174 /nfs/dbraw/zinc/74/71/74/601747174.db2.gz DGHKGBHDOFZWKH-CYBMUJFWSA-N -1 0 342.153 3.688 20 0 EHADRM Cc1[nH]c(C(=O)Nc2ccc(COC(C)(C)C)cc2)c(C)c1C(=O)[O-] ZINC000832846676 601748693 /nfs/dbraw/zinc/74/86/93/601748693.db2.gz ZTLDBCBMGCXMGK-UHFFFAOYSA-N -1 0 344.411 3.897 20 0 EHADRM CC[C@@H](NC(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1)C(=O)[O-] ZINC000576531633 601754076 /nfs/dbraw/zinc/75/40/76/601754076.db2.gz UBQOKJVTKJQUOS-CVEARBPZSA-N -1 0 347.411 3.639 20 0 EHADRM CC[C@@H](NC(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1)C(=O)[O-] ZINC000576531634 601754202 /nfs/dbraw/zinc/75/42/02/601754202.db2.gz UBQOKJVTKJQUOS-HZPDHXFCSA-N -1 0 347.411 3.639 20 0 EHADRM Cc1ccc(NC(=O)N2CC[C@H](c3ccc(F)cc3)C2)cc1C(=O)[O-] ZINC000832945922 601797082 /nfs/dbraw/zinc/79/70/82/601797082.db2.gz MUOAVKPESBEFND-AWEZNQCLSA-N -1 0 342.370 3.854 20 0 EHADRM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1cc2cccc(Cl)c2o1 ZINC000237976374 601802968 /nfs/dbraw/zinc/80/29/68/601802968.db2.gz SDCGBIVNRNAMFW-CQSZACIVSA-N -1 0 343.766 3.512 20 0 EHADRM Cc1nnc(SCc2ccsc2C(=O)[O-])n1-c1ccccc1 ZINC000833021483 601806120 /nfs/dbraw/zinc/80/61/20/601806120.db2.gz NBBBHTZIHCLSFB-UHFFFAOYSA-N -1 0 331.422 3.628 20 0 EHADRM COc1ccc(CC(=O)Nc2scc(C3CC3)c2C(=O)[O-])cc1 ZINC000832287244 601810201 /nfs/dbraw/zinc/81/02/01/601810201.db2.gz JYGIXJAQBFRYRL-UHFFFAOYSA-N -1 0 331.393 3.514 20 0 EHADRM C[C@@H]1CC(CCSCc2noc(CCC(=O)[O-])n2)C[C@@H](C)C1 ZINC000828159981 601812883 /nfs/dbraw/zinc/81/28/83/601812883.db2.gz DMGXCBLCFFJCFY-RYUDHWBXSA-N -1 0 326.462 3.782 20 0 EHADRM C[C@H](SCc1ccc(C(=O)[O-])c(F)c1)C(=O)Nc1ccccc1 ZINC000827908911 601813724 /nfs/dbraw/zinc/81/37/24/601813724.db2.gz OVRKYEPQLVMFDK-NSHDSACASA-N -1 0 333.384 3.784 20 0 EHADRM CC[C@@H](C)[C@H](C(=O)N1CCC(CCC(=O)[O-])CC1)c1ccccc1 ZINC000324426993 601816556 /nfs/dbraw/zinc/81/65/56/601816556.db2.gz OWDGQBSXSGWKMX-BEFAXECRSA-N -1 0 331.456 3.920 20 0 EHADRM CC(C)(C(=O)N1CCC(CCC(=O)[O-])CC1)c1ccccc1Cl ZINC000540785421 601820134 /nfs/dbraw/zinc/82/01/34/601820134.db2.gz FPKKZGVDDDNBMM-UHFFFAOYSA-N -1 0 337.847 3.721 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000540784895 601820194 /nfs/dbraw/zinc/82/01/94/601820194.db2.gz PSYBYYDFIRTTLV-HNNXBMFYSA-N -1 0 347.455 3.682 20 0 EHADRM Cc1ccc2[nH]c3c(c2c1)CN(Cc1ccsc1C(=O)[O-])CC3 ZINC000656769408 601822379 /nfs/dbraw/zinc/82/23/79/601822379.db2.gz ZULFPWXMFSDUOS-UHFFFAOYSA-N -1 0 326.421 3.794 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)N2CCC(CCC(=O)[O-])CC2)cc1C ZINC000659405660 601826189 /nfs/dbraw/zinc/82/61/89/601826189.db2.gz KFNJGUFQYLNKIO-HNNXBMFYSA-N -1 0 332.444 3.651 20 0 EHADRM C[C@H](c1ccccc1)N(C)C(=O)CSCc1ccc(C(=O)[O-])s1 ZINC000827951533 601846834 /nfs/dbraw/zinc/84/68/34/601846834.db2.gz XRNOLBNZHAZFGT-GFCCVEGCSA-N -1 0 349.477 3.899 20 0 EHADRM Cc1ccc(-c2cncc(C(=O)Nc3ccccc3CC(=O)[O-])c2)cc1 ZINC000237736971 601867803 /nfs/dbraw/zinc/86/78/03/601867803.db2.gz RHGKJCYHBPVJNH-UHFFFAOYSA-N -1 0 346.386 3.936 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)C1CCC(NC(=O)[O-])CC1)c1ccccc1 ZINC000738676466 601869278 /nfs/dbraw/zinc/86/92/78/601869278.db2.gz RDDJENKELRZLQY-GPANFISMSA-N -1 0 332.444 3.716 20 0 EHADRM Cc1ccc(O[C@@H](C)C(=O)Oc2ccc(SCC(=O)[O-])cc2)cc1 ZINC000832952864 601873781 /nfs/dbraw/zinc/87/37/81/601873781.db2.gz GFAXPPVCOBUKSF-ZDUSSCGKSA-N -1 0 346.404 3.545 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)c2coc3ccccc23)cc1 ZINC000833264400 601875917 /nfs/dbraw/zinc/87/59/17/601875917.db2.gz QMLCFHIKUAOTJH-UHFFFAOYSA-N -1 0 328.345 3.829 20 0 EHADRM Cc1cc(OC(C)C)ccc1NC(=O)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000740089389 601876773 /nfs/dbraw/zinc/87/67/73/601876773.db2.gz SHERVTLTAXYMTI-KRWDZBQOSA-N -1 0 342.395 3.730 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)/C=C\c2ccccc2F)cc1 ZINC000833262084 601876910 /nfs/dbraw/zinc/87/69/10/601876910.db2.gz AVQURZLTAXYMOB-YHYXMXQVSA-N -1 0 332.352 3.621 20 0 EHADRM CCCOc1ccc(NC(=O)[C@@H](NC(=O)[O-])c2ccccc2)c(C)c1 ZINC000739364003 601885679 /nfs/dbraw/zinc/88/56/79/601885679.db2.gz NKTXLLOARUSPTP-KRWDZBQOSA-N -1 0 342.395 3.731 20 0 EHADRM CCCCOc1cccc(NC(=O)C2CCC(NC(=O)[O-])CC2)c1 ZINC000739338106 601893708 /nfs/dbraw/zinc/89/37/08/601893708.db2.gz AXBBDNCXLLKWTA-UHFFFAOYSA-N -1 0 334.416 3.630 20 0 EHADRM C[C@H](NCc1ccc(C(=O)[O-])o1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000827741263 601895382 /nfs/dbraw/zinc/89/53/82/601895382.db2.gz JQOPCYTXTLBEJW-VIFPVBQESA-N -1 0 347.758 3.532 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)c1cnc(Cl)c(Cl)c1 ZINC000833129761 601900708 /nfs/dbraw/zinc/90/07/08/601900708.db2.gz CNFCSXFPJDCSFC-ZYHUDNBSSA-N -1 0 345.226 3.542 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)c1cc(Cl)ccc1F ZINC000262074766 601902975 /nfs/dbraw/zinc/90/29/75/601902975.db2.gz GAGLLCIGEDCFDC-FZMZJTMJSA-N -1 0 327.783 3.633 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000262099776 601909439 /nfs/dbraw/zinc/90/94/39/601909439.db2.gz IXESWGIDUNLPQU-RFQIPJPRSA-N -1 0 349.393 3.895 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)CCc1c[nH]c2ccccc12 ZINC000262222485 601909444 /nfs/dbraw/zinc/90/94/44/601909444.db2.gz UCEZYZLAPYRPIS-SJLPKXTDSA-N -1 0 342.439 3.640 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)CCc1c[nH]c2ccccc12 ZINC000262222483 601909454 /nfs/dbraw/zinc/90/94/54/601909454.db2.gz UCEZYZLAPYRPIS-AEFFLSMTSA-N -1 0 342.439 3.640 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000262055210 601913362 /nfs/dbraw/zinc/91/33/62/601913362.db2.gz AMRZXACDLNLBFV-DJIMGWMZSA-N -1 0 347.455 3.729 20 0 EHADRM CC[C@@H](C)[C@@H](C(=O)NCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000236932136 601919976 /nfs/dbraw/zinc/91/99/76/601919976.db2.gz UOTPMDQYYXHEPK-RDTXWAMCSA-N -1 0 325.408 3.831 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000236716010 601925041 /nfs/dbraw/zinc/92/50/41/601925041.db2.gz JQHPEQPITZOJFZ-GOSISDBHSA-N -1 0 325.408 3.516 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)CCc2ccc3ccccc3c2)c1 ZINC000531744609 601925116 /nfs/dbraw/zinc/92/51/16/601925116.db2.gz LFTAFFKHVQQAPO-UHFFFAOYSA-N -1 0 333.387 3.787 20 0 EHADRM O=C([O-])c1cnc(NCCC(c2ccccc2)c2ccccc2)cn1 ZINC000833337321 601929448 /nfs/dbraw/zinc/92/94/48/601929448.db2.gz DRBVURZXSAVEFF-UHFFFAOYSA-N -1 0 333.391 3.809 20 0 EHADRM Cc1ccoc1C(=O)O[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000832985031 601933077 /nfs/dbraw/zinc/93/30/77/601933077.db2.gz WQELDMHQSKLGOW-LBPRGKRZSA-N -1 0 329.135 3.878 20 0 EHADRM O=C([O-])[C@@H](OC(=O)/C=C/c1ccco1)c1cc(Cl)cc(Cl)c1 ZINC000833094455 601933098 /nfs/dbraw/zinc/93/30/98/601933098.db2.gz HYSFFIOGMMKDOV-XGACYXMMSA-N -1 0 341.146 3.969 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@H](NC(=O)[O-])c2ccccc2)c(F)c1 ZINC000738864129 601940069 /nfs/dbraw/zinc/94/00/69/601940069.db2.gz IKUGHLYGQJXIAP-MRXNPFEDSA-N -1 0 346.358 3.560 20 0 EHADRM O=C([O-])c1ccc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)s1 ZINC000575130165 601944280 /nfs/dbraw/zinc/94/42/80/601944280.db2.gz MFKLZMBZSYVTLU-OAHLLOKOSA-N -1 0 331.437 3.628 20 0 EHADRM CCOCCC1(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CCCC1 ZINC000678979900 601962328 /nfs/dbraw/zinc/96/23/28/601962328.db2.gz NYRIQBLCVVQXHG-UHFFFAOYSA-N -1 0 339.819 3.964 20 0 EHADRM CCO[C@@H]1CCCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000652394769 601972332 /nfs/dbraw/zinc/97/23/32/601972332.db2.gz FGXRHHLLOPEFPW-KGLIPLIRSA-N -1 0 332.227 3.620 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2cc(F)ccc2OC(F)F)c1 ZINC000833287854 601993800 /nfs/dbraw/zinc/99/38/00/601993800.db2.gz BRDOGPHSKKDEPD-UHFFFAOYSA-N -1 0 340.257 3.769 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2csc(-c3cccs3)n2)cn1 ZINC000740711711 601996111 /nfs/dbraw/zinc/99/61/11/601996111.db2.gz KFFUKYBNGHPVKS-UHFFFAOYSA-N -1 0 346.393 3.609 20 0 EHADRM O=C([O-])c1ccc(COC(=O)CSc2ccccc2Cl)s1 ZINC000833115623 601997184 /nfs/dbraw/zinc/99/71/84/601997184.db2.gz BJQOOXJEVVYAQJ-UHFFFAOYSA-N -1 0 342.825 3.935 20 0 EHADRM O=C([O-])c1ccc(COC(=O)/C=C/c2nc3ccccc3s2)s1 ZINC000833095660 601998667 /nfs/dbraw/zinc/99/86/67/601998667.db2.gz PWRVRGVZSJUFCN-BQYQJAHWSA-N -1 0 345.401 3.813 20 0 EHADRM C[C@H](Oc1ccccc1Cl)C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000827902866 602002199 /nfs/dbraw/zinc/00/21/99/602002199.db2.gz WHYKRGBAKOLTOD-VIFPVBQESA-N -1 0 340.784 3.610 20 0 EHADRM Cc1cccc(OCCC(=O)OCc2ccc(C(=O)[O-])s2)c1C ZINC000832972355 602002438 /nfs/dbraw/zinc/00/24/38/602002438.db2.gz ZRPWRYGULUWBBP-UHFFFAOYSA-N -1 0 334.393 3.575 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)Nc2ccc(Oc3ccccc3)cc2C(=O)[O-])O1 ZINC000828207799 602005057 /nfs/dbraw/zinc/00/50/57/602005057.db2.gz RHFADDZAPOVSJZ-SJCJKPOMSA-N -1 0 341.363 3.683 20 0 EHADRM CC(C)Oc1ccccc1CC(=O)OCc1ccc(C(=O)[O-])s1 ZINC000827063234 602006041 /nfs/dbraw/zinc/00/60/41/602006041.db2.gz YCAXOHPVTVHHHJ-UHFFFAOYSA-N -1 0 334.393 3.519 20 0 EHADRM Cc1nc([C@H](C)N2CCN(C(=O)[O-])CC2)oc1-c1ccc(Cl)cc1 ZINC000832993931 602015528 /nfs/dbraw/zinc/01/55/28/602015528.db2.gz LFWKYWQZKCDQAD-LBPRGKRZSA-N -1 0 349.818 3.660 20 0 EHADRM COc1c(C)ccc(NC(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])c1C ZINC000831847658 602029992 /nfs/dbraw/zinc/02/99/92/602029992.db2.gz QFFFPLMVNYTDBY-ZBFHGGJFSA-N -1 0 348.443 3.857 20 0 EHADRM CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000830150750 602033372 /nfs/dbraw/zinc/03/33/72/602033372.db2.gz QLUPSXIEARIHRY-VXGBXAGGSA-N -1 0 340.420 3.662 20 0 EHADRM Cc1cc(CNCc2nc(C(C)C)cs2)cc(C)c1OCC(=O)[O-] ZINC000832885302 602039130 /nfs/dbraw/zinc/03/91/30/602039130.db2.gz LTPUSEOJNIKGAH-UHFFFAOYSA-N -1 0 348.468 3.637 20 0 EHADRM Cc1cccc(CN(C)[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)n1 ZINC000832967639 602046005 /nfs/dbraw/zinc/04/60/05/602046005.db2.gz LTFWTFDRNGYYAV-OAHLLOKOSA-N -1 0 339.222 3.955 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)c1[nH]c2ccccc2c1Cl ZINC000262134118 602050022 /nfs/dbraw/zinc/05/00/22/602050022.db2.gz QYZQXVRJHYSCJK-GXTWGEPZSA-N -1 0 348.830 3.975 20 0 EHADRM C[C@H](NC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC000261934804 602055285 /nfs/dbraw/zinc/05/52/85/602055285.db2.gz KEERYYLTYMNLBV-VFZGTOFNSA-N -1 0 345.226 3.561 20 0 EHADRM Cc1ccc2c(c1)CC[C@H]2NC(=O)NCCCCCCCC(=O)[O-] ZINC000832962280 602063804 /nfs/dbraw/zinc/06/38/04/602063804.db2.gz SABFKTHAWOYDPV-QGZVFWFLSA-N -1 0 332.444 3.707 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000263190181 602065284 /nfs/dbraw/zinc/06/52/84/602065284.db2.gz YBUCRBUQDHHVKJ-CYBMUJFWSA-N -1 0 329.371 3.660 20 0 EHADRM CC(C)[C@H](NC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccccc1Cl ZINC000263200161 602070380 /nfs/dbraw/zinc/07/03/80/602070380.db2.gz HJPHFSGVGAMDCS-YOEHRIQHSA-N -1 0 338.835 3.543 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)Nc2cccc(CC(=O)[O-])c2)s1 ZINC000345889569 602070384 /nfs/dbraw/zinc/07/03/84/602070384.db2.gz UZYSKGXGPUHXCN-UHFFFAOYSA-N -1 0 341.335 3.537 20 0 EHADRM Cc1ccc(C(C)C)cc1OCC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000236629566 602071442 /nfs/dbraw/zinc/07/14/42/602071442.db2.gz MINRROCNQIXZFC-UHFFFAOYSA-N -1 0 341.407 3.763 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)C2(c3cccc(F)c3)CCCC2)c1 ZINC000263117733 602073420 /nfs/dbraw/zinc/07/34/20/602073420.db2.gz CKRVPGMDIHPAIB-UHFFFAOYSA-N -1 0 341.382 3.903 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)N1CC[C@@](C)(C(=O)[O-])C1)C(C)(C)C ZINC000263250301 602087131 /nfs/dbraw/zinc/08/71/31/602087131.db2.gz OVMKTTIFZQFMLA-DNVCBOLYSA-N -1 0 332.444 3.588 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)N[C@H](c2ccccc2F)C2CCCC2)C1 ZINC000263284767 602088248 /nfs/dbraw/zinc/08/82/48/602088248.db2.gz UKBHFMHQKZSWLN-LPHOPBHVSA-N -1 0 348.418 3.563 20 0 EHADRM C/C(=C/COC(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)C(=O)[O-] ZINC000825758944 602092638 /nfs/dbraw/zinc/09/26/38/602092638.db2.gz SQSBWSPNCVDWMW-QYPWSSHISA-N -1 0 348.704 3.860 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)N1CCc2c1cccc2Cl ZINC000833225411 602095976 /nfs/dbraw/zinc/09/59/76/602095976.db2.gz UBMISHVRBKKVSK-UHFFFAOYSA-N -1 0 338.835 3.837 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)NCCCCCCCC(=O)[O-])o1 ZINC000832927628 602096692 /nfs/dbraw/zinc/09/66/92/602096692.db2.gz FSWGGQGDXAPEBG-HNNXBMFYSA-N -1 0 336.432 3.860 20 0 EHADRM CC(C)(C)C(=O)COC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000826130100 602097185 /nfs/dbraw/zinc/09/71/85/602097185.db2.gz GFRIFTMXOOKELO-UHFFFAOYSA-N -1 0 347.289 3.567 20 0 EHADRM Cc1cc(NC(=O)N2CCOC3(C2)CCCCCC3)ccc1C(=O)[O-] ZINC000832895712 602102309 /nfs/dbraw/zinc/10/23/09/602102309.db2.gz OFRBFXCHWQYAKZ-UHFFFAOYSA-N -1 0 346.427 3.650 20 0 EHADRM CCOCCC1(C(=O)OCc2ccc(C(=O)[O-])c(F)c2)CCCC1 ZINC000829994965 602102365 /nfs/dbraw/zinc/10/23/65/602102365.db2.gz ZPUWZQYMYARNHH-UHFFFAOYSA-N -1 0 338.375 3.554 20 0 EHADRM CCC[C@](C)(NC(=O)[O-])C(=O)Nc1ccc(Br)cc1C ZINC000739301134 602106854 /nfs/dbraw/zinc/10/68/54/602106854.db2.gz JSDICODNXZKXRX-AWEZNQCLSA-N -1 0 343.221 3.522 20 0 EHADRM CCO[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)C12CCC2 ZINC000829918093 602107497 /nfs/dbraw/zinc/10/74/97/602107497.db2.gz MRGOVIGKOCNEQE-JKSUJKDBSA-N -1 0 346.427 3.505 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000739237976 602107926 /nfs/dbraw/zinc/10/79/26/602107926.db2.gz PSYORURIUKQJGL-MEBBXXQBSA-N -1 0 347.440 3.739 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)c2ccn(C3CCCC3)n2)c1 ZINC000833316655 602110550 /nfs/dbraw/zinc/11/05/50/602110550.db2.gz BXZXJHFJQVPBJI-UHFFFAOYSA-N -1 0 333.775 3.602 20 0 EHADRM CC(C)n1ccnc1CNc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000827192522 602114917 /nfs/dbraw/zinc/11/49/17/602114917.db2.gz BPZJLMQNHMEEKB-UHFFFAOYSA-N -1 0 339.395 3.693 20 0 EHADRM C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)[C@@H](C)CC(=O)[O-] ZINC000827247609 602129353 /nfs/dbraw/zinc/12/93/53/602129353.db2.gz OPPKMVZGWIUAFZ-JKSUJKDBSA-N -1 0 325.408 3.887 20 0 EHADRM Cc1ccc(-c2nnc(CNc3cc(F)c(F)cc3C(=O)[O-])o2)cc1 ZINC000832907987 602130582 /nfs/dbraw/zinc/13/05/82/602130582.db2.gz DDWDAYNTSUMLMB-UHFFFAOYSA-N -1 0 345.305 3.634 20 0 EHADRM CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](C)CC(=O)[O-] ZINC000827247496 602130966 /nfs/dbraw/zinc/13/09/66/602130966.db2.gz NHPVVOIUYYZQPH-LLVKDONJSA-N -1 0 331.334 3.553 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2cccc(OC(F)(F)F)c2)c1 ZINC000191359723 602136348 /nfs/dbraw/zinc/13/63/48/602136348.db2.gz YEMHAUOTYNARNJ-UHFFFAOYSA-N -1 0 331.271 3.597 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N[C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000827272670 602138458 /nfs/dbraw/zinc/13/84/58/602138458.db2.gz PDSSEIWLDOBXCE-KGLIPLIRSA-N -1 0 327.380 3.767 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=S)Nc1ccccc1)c1ccccc1 ZINC000826105315 602151900 /nfs/dbraw/zinc/15/19/00/602151900.db2.gz AMKQLHMHWJGBNX-HNNXBMFYSA-N -1 0 328.437 3.825 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cc(C)sc1Br ZINC000828790174 602162373 /nfs/dbraw/zinc/16/23/73/602162373.db2.gz PVPGQVXWAKCAFD-UHFFFAOYSA-N -1 0 348.262 3.582 20 0 EHADRM C[C@@H](Oc1ccccc1NC(=O)[C@@H](C)CC(=O)[O-])c1ccccc1 ZINC000827316528 602163674 /nfs/dbraw/zinc/16/36/74/602163674.db2.gz ATYMLAWKLATUJD-UONOGXRCSA-N -1 0 327.380 3.876 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC)C(=O)NC[C@H]1CCCN(C(=O)[O-])C1 ZINC000739267781 602165249 /nfs/dbraw/zinc/16/52/49/602165249.db2.gz ZYDHKWZHYZDSCW-WBVHZDCISA-N -1 0 347.459 3.559 20 0 EHADRM CCOc1ccc2cc(C(=O)Nc3ccccc3NC(=O)[O-])[nH]c2c1 ZINC000739504299 602175227 /nfs/dbraw/zinc/17/52/27/602175227.db2.gz MWCZDYIOVHKXBK-UHFFFAOYSA-N -1 0 339.351 3.909 20 0 EHADRM COc1ccc2nc(C(=O)Nc3ccccc3NC(=O)[O-])ccc2c1 ZINC000739942430 602176408 /nfs/dbraw/zinc/17/64/08/602176408.db2.gz PZAJGWGUVQRXMY-UHFFFAOYSA-N -1 0 337.335 3.586 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2cc(F)ccc2Br)c1 ZINC000191336034 602182529 /nfs/dbraw/zinc/18/25/29/602182529.db2.gz XUPVLMRSTZLYET-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC000191353469 602184535 /nfs/dbraw/zinc/18/45/35/602184535.db2.gz HNVJJJKAERZLFB-SECBINFHSA-N -1 0 339.800 3.814 20 0 EHADRM CC(C)(C)n1nc(C(=O)Nc2cc(C(=O)[O-])cs2)cc1C1CC1 ZINC000191348502 602184614 /nfs/dbraw/zinc/18/46/14/602184614.db2.gz WIZZYLRVLCWLGU-UHFFFAOYSA-N -1 0 333.413 3.528 20 0 EHADRM O=C([O-])c1csc(NC(=O)Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000191348067 602188486 /nfs/dbraw/zinc/18/84/86/602188486.db2.gz DDRBGJKNPBUWEV-UHFFFAOYSA-N -1 0 345.298 3.526 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)O[C@@H](c1ccc(Br)cc1)C1CC1 ZINC000827334787 602192903 /nfs/dbraw/zinc/19/29/03/602192903.db2.gz WGERXVQEXNLLPV-LKFCYVNXSA-N -1 0 341.201 3.554 20 0 EHADRM COc1cccc(C2(NC(=O)Nc3cccc(NC(=O)[O-])c3)CC2)c1 ZINC000832540129 602201528 /nfs/dbraw/zinc/20/15/28/602201528.db2.gz KYSMBNMXQNSHIR-UHFFFAOYSA-N -1 0 341.367 3.596 20 0 EHADRM C/C(=C/C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12)C1CC1 ZINC000236674267 602263394 /nfs/dbraw/zinc/26/33/94/602263394.db2.gz WHFUOKCBOXNGRP-BENRWUELSA-N -1 0 325.364 3.598 20 0 EHADRM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)CCCN(C)C(=O)[O-] ZINC000832891750 602263923 /nfs/dbraw/zinc/26/39/23/602263923.db2.gz YJIYEBUKZBGGJT-OAHLLOKOSA-N -1 0 347.459 3.702 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000827873758 602264922 /nfs/dbraw/zinc/26/49/22/602264922.db2.gz NYJFIHOWKGRTFR-WBMJQRKESA-N -1 0 338.375 3.623 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000829009614 602271407 /nfs/dbraw/zinc/27/14/07/602271407.db2.gz IMLBACBKLZSEBE-JKSUJKDBSA-N -1 0 338.375 3.623 20 0 EHADRM C[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739100490 602277478 /nfs/dbraw/zinc/27/74/78/602277478.db2.gz QSKXVOUIQSBFDF-DOMZBBRYSA-N -1 0 331.416 3.770 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])c2ccccc21 ZINC000739142363 602278746 /nfs/dbraw/zinc/27/87/46/602278746.db2.gz BOVRYOXSCUCMJY-LBPRGKRZSA-N -1 0 337.379 3.883 20 0 EHADRM CCN(Cc1cccs1)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739444518 602279631 /nfs/dbraw/zinc/27/96/31/602279631.db2.gz KPGNDSFLDVKGHE-UHFFFAOYSA-N -1 0 345.424 3.843 20 0 EHADRM C[C@H](Cc1cccs1)NC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000738947936 602281201 /nfs/dbraw/zinc/28/12/01/602281201.db2.gz INCKHEVWAOFSNE-LLVKDONJSA-N -1 0 345.424 3.541 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1ccncc1 ZINC000827234685 602296687 /nfs/dbraw/zinc/29/66/87/602296687.db2.gz IWLQZSFKGZAJOL-CYBMUJFWSA-N -1 0 326.396 3.576 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000128691772 602299875 /nfs/dbraw/zinc/29/98/75/602299875.db2.gz UAKHUGJQPOFNSQ-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM COc1cc(NC(=O)c2ccc(Cl)c(C)c2)c(C(=O)[O-])cc1OC ZINC000326284578 602303643 /nfs/dbraw/zinc/30/36/43/602303643.db2.gz NUCBVLWVGYYVPS-UHFFFAOYSA-N -1 0 349.770 3.616 20 0 EHADRM Cc1nnc(CSCc2csc(-c3cccc(C(=O)[O-])c3)n2)o1 ZINC000833021630 602309721 /nfs/dbraw/zinc/30/97/21/602309721.db2.gz QRRMADZRVAGSJD-UHFFFAOYSA-N -1 0 347.421 3.633 20 0 EHADRM Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)[C@@H](C)CC(=O)[O-] ZINC000832992590 602323672 /nfs/dbraw/zinc/32/36/72/602323672.db2.gz NKMYZUOOQJJKAU-WCQYABFASA-N -1 0 346.452 3.749 20 0 EHADRM Cc1cc(NC(=O)N(Cc2ccccc2)CC(F)F)ccc1C(=O)[O-] ZINC000832894126 602353188 /nfs/dbraw/zinc/35/31/88/602353188.db2.gz DGVRSELJBZTUHP-UHFFFAOYSA-N -1 0 348.349 3.992 20 0 EHADRM Cc1ccccc1OCCCC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000325710149 602353562 /nfs/dbraw/zinc/35/35/62/602353562.db2.gz LGINFFWGPRVJMR-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)cc1F ZINC000767199997 602354778 /nfs/dbraw/zinc/35/47/78/602354778.db2.gz BQOBWSJEELTXGB-VXGBXAGGSA-N -1 0 335.281 3.544 20 0 EHADRM Cc1cc(C(=O)CCC(=O)Nc2ccc(C(=O)[O-])c(F)c2)c(C)s1 ZINC000799243507 602355067 /nfs/dbraw/zinc/35/50/67/602355067.db2.gz FPZOBOQWDNTWRQ-UHFFFAOYSA-N -1 0 349.383 3.804 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCSc2ccccc2F)cc1F ZINC000391579252 602357012 /nfs/dbraw/zinc/35/70/12/602357012.db2.gz BSNGRJRUMXUETN-UHFFFAOYSA-N -1 0 337.347 3.784 20 0 EHADRM CC[C@H](NC(=O)Nc1cc(C(=O)[O-])n(C)c1)c1ccc(Cl)s1 ZINC000828951217 602359200 /nfs/dbraw/zinc/35/92/00/602359200.db2.gz GOINXQFWTPAWBY-VIFPVBQESA-N -1 0 341.820 3.711 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000826584822 602368848 /nfs/dbraw/zinc/36/88/48/602368848.db2.gz GTMQZADAZARJSN-UHFFFAOYSA-N -1 0 330.359 3.623 20 0 EHADRM Cn1cc(NC(=O)N2CCC[C@H]2CC2CCCCC2)cc1C(=O)[O-] ZINC000833049913 602370793 /nfs/dbraw/zinc/37/07/93/602370793.db2.gz XUZIQWLSUYIVGN-HNNXBMFYSA-N -1 0 333.432 3.690 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)C(C)C ZINC000832984114 602374861 /nfs/dbraw/zinc/37/48/61/602374861.db2.gz VAFQXUXUSSCJAG-HNNXBMFYSA-N -1 0 345.374 3.746 20 0 EHADRM CC[C@@H](NC(=O)C1CCC(NC(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000739261345 602380467 /nfs/dbraw/zinc/38/04/67/602380467.db2.gz UUMCDXRJQKBQBQ-WDIPEOLASA-N -1 0 338.835 3.734 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H](Cc2ccccc2)C2CC2)cc1F ZINC000833152862 602380841 /nfs/dbraw/zinc/38/08/41/602380841.db2.gz DCCXBMNCXCFDRC-QGZVFWFLSA-N -1 0 342.370 3.667 20 0 EHADRM Cc1ccc(NC(=O)N2CCC(CN(C)C(=O)[O-])CC2)cc1Cl ZINC000740138114 602392338 /nfs/dbraw/zinc/39/23/38/602392338.db2.gz CCGIZQNKXSDUSH-UHFFFAOYSA-N -1 0 339.823 3.502 20 0 EHADRM C[C@@]1(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CCCc2ccccc21 ZINC000767206178 602393784 /nfs/dbraw/zinc/39/37/84/602393784.db2.gz PMJLIVAWWIPFDC-LJQANCHMSA-N -1 0 327.355 3.757 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2(Cc3ccccc3)CCC2)cc1F ZINC000776647384 602395113 /nfs/dbraw/zinc/39/51/13/602395113.db2.gz MZBJRAUQNCGWSZ-UHFFFAOYSA-N -1 0 327.355 3.875 20 0 EHADRM C[C@H](C(=O)N(CC(=O)[O-])C1CCCC1)c1ccc2ccccc2c1 ZINC000825971923 602398885 /nfs/dbraw/zinc/39/88/85/602398885.db2.gz IWVLCUKRFPBSTF-AWEZNQCLSA-N -1 0 325.408 3.799 20 0 EHADRM CCc1cccc(OCc2nc([C@@H](CC(C)C)NC(=O)[O-])no2)c1 ZINC000739547419 602407193 /nfs/dbraw/zinc/40/71/93/602407193.db2.gz LOBVHSZWNNPRQM-CQSZACIVSA-N -1 0 333.388 3.566 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(COc2ccccc2Cl)n1 ZINC000738825527 602409229 /nfs/dbraw/zinc/40/92/29/602409229.db2.gz XHMVKPBHDFSFTQ-NSHDSACASA-N -1 0 339.779 3.657 20 0 EHADRM Cc1cccc2[nH]cc(Cc3nc([C@@H](CC(C)C)NC(=O)[O-])no3)c21 ZINC000740174859 602410114 /nfs/dbraw/zinc/41/01/14/602410114.db2.gz MRGCTKYDNIXEOJ-CQSZACIVSA-N -1 0 342.399 3.805 20 0 EHADRM Cc1ccc(O[C@H](C)c2nc([C@H](CC(C)C)NC(=O)[O-])no2)cc1 ZINC000740144591 602410637 /nfs/dbraw/zinc/41/06/37/602410637.db2.gz SKTAESDNNWHRPB-OCCSQVGLSA-N -1 0 333.388 3.873 20 0 EHADRM Cc1ccc2cc(-c3nc(C4(NC(=O)[O-])CCCC4)no3)[nH]c2c1 ZINC000740154392 602412091 /nfs/dbraw/zinc/41/20/91/602412091.db2.gz PGDHYEXAYLSLSJ-UHFFFAOYSA-N -1 0 326.356 3.563 20 0 EHADRM CCCOc1cccc(-c2nc(C3(NC(=O)[O-])CCCC3)no2)c1 ZINC000739370862 602412120 /nfs/dbraw/zinc/41/21/20/602412120.db2.gz FWLATBBRXXDZDF-UHFFFAOYSA-N -1 0 331.372 3.562 20 0 EHADRM CC(C)(Cc1nc(C2(NC(=O)[O-])CCCC2)no1)c1ccccc1 ZINC000738752885 602412440 /nfs/dbraw/zinc/41/24/40/602412440.db2.gz PVHHQFDBUCBDIS-UHFFFAOYSA-N -1 0 329.400 3.627 20 0 EHADRM O=C([O-])NC1(c2noc(-c3ccc(C(F)(F)F)cc3)n2)CCCC1 ZINC000740548092 602413757 /nfs/dbraw/zinc/41/37/57/602413757.db2.gz LDXKHZXLBAMJBH-UHFFFAOYSA-N -1 0 341.289 3.792 20 0 EHADRM C[C@H](NC(=O)[O-])c1nc(-c2ccccc2OCc2ccccc2)no1 ZINC000739017610 602414640 /nfs/dbraw/zinc/41/46/40/602414640.db2.gz GFMYRCURSMRSHJ-LBPRGKRZSA-N -1 0 339.351 3.644 20 0 EHADRM Cc1ccccc1[C@@H](C)NC(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000740185290 602451494 /nfs/dbraw/zinc/45/14/94/602451494.db2.gz UJPWOQKXLMGPNT-CYBMUJFWSA-N -1 0 327.384 3.645 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)Nc1cnc2ccccc2c1)c1ccccc1 ZINC000740540365 602457183 /nfs/dbraw/zinc/45/71/83/602457183.db2.gz PEFVIIVGROIJSH-GOSISDBHSA-N -1 0 349.390 3.962 20 0 EHADRM Cc1c(Cl)cccc1NC(=S)NC1(CNC(=O)[O-])CCCC1 ZINC000740045080 602457793 /nfs/dbraw/zinc/45/77/93/602457793.db2.gz ILEBCCYZOINQDB-UHFFFAOYSA-N -1 0 341.864 3.515 20 0 EHADRM COc1cc(Cl)ccc1C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000739864097 602460930 /nfs/dbraw/zinc/46/09/30/602460930.db2.gz PRGGUDQAUXERGM-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM CC(C)(NC(=O)CC[C@@H](NC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000738752291 602465536 /nfs/dbraw/zinc/46/55/36/602465536.db2.gz GIDABNDKVFOQCQ-QGZVFWFLSA-N -1 0 340.423 3.827 20 0 EHADRM CC(C)N(Cc1ccco1)C(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000738853785 602466677 /nfs/dbraw/zinc/46/66/77/602466677.db2.gz VCIOKZAHHYKANP-KRWDZBQOSA-N -1 0 344.411 3.806 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N[C@H]2CCSc3ccccc32)ccc1F ZINC000740695247 602484930 /nfs/dbraw/zinc/48/49/30/602484930.db2.gz GSXCRKJOUXASFL-ZDUSSCGKSA-N -1 0 346.383 3.883 20 0 EHADRM C[C@H](CN(C)C(=O)c1ccc(F)c(NC(=O)[O-])c1)c1ccccc1 ZINC000738915344 602487328 /nfs/dbraw/zinc/48/73/28/602487328.db2.gz VHBMPHXTTCWPAI-GFCCVEGCSA-N -1 0 330.359 3.791 20 0 EHADRM CCc1ccc(C(=O)CCC(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000739545219 602499848 /nfs/dbraw/zinc/49/98/48/602499848.db2.gz RTUPYOXRPBNAIZ-UHFFFAOYSA-N -1 0 340.379 3.941 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)C=Cc2ccc3ccccc3n2)cc1 ZINC000740706822 602499957 /nfs/dbraw/zinc/49/99/57/602499957.db2.gz AEAAFRFNDBQGSN-QXMHVHEDSA-N -1 0 333.347 3.977 20 0 EHADRM Cc1ccc(C)c(CC(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])c1 ZINC000740118118 602510277 /nfs/dbraw/zinc/51/02/77/602510277.db2.gz WEQFHSNPOBRHDJ-UHFFFAOYSA-N -1 0 338.407 3.915 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1 ZINC000740679945 602515639 /nfs/dbraw/zinc/51/56/39/602515639.db2.gz HHLPWVBFCXSFOV-UHFFFAOYSA-N -1 0 338.285 3.725 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)c2ccc(-c3ccccc3)[nH]2)c1 ZINC000740680282 602516374 /nfs/dbraw/zinc/51/63/74/602516374.db2.gz KNLHEESXVWMOGA-UHFFFAOYSA-N -1 0 335.363 3.702 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)Nc3ccc(F)cc3)ccc21 ZINC000740463332 602554521 /nfs/dbraw/zinc/55/45/21/602554521.db2.gz MSVHRSSJMWQSGC-UHFFFAOYSA-N -1 0 329.331 3.900 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)NCc3ccccc3F)ccc21 ZINC000740450270 602554645 /nfs/dbraw/zinc/55/46/45/602554645.db2.gz MPTQJDSQQHHWIH-UHFFFAOYSA-N -1 0 343.358 3.578 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)Nc1ccc(O)c(Cl)c1)c1ccccc1 ZINC000740541132 602596458 /nfs/dbraw/zinc/59/64/58/602596458.db2.gz WZIIQZFNHOYPEX-AWEZNQCLSA-N -1 0 348.786 3.773 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CNC(=O)Nc2ccc(NC(=O)[O-])cc2)o1 ZINC000739093802 602600789 /nfs/dbraw/zinc/60/07/89/602600789.db2.gz YGQASJNASRZAOI-IINYFYTJSA-N -1 0 329.356 3.815 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)NCCc3ccsc3)ccc21 ZINC000740446938 602607023 /nfs/dbraw/zinc/60/70/23/602607023.db2.gz OQCRXIYQIJRSQO-UHFFFAOYSA-N -1 0 345.424 3.543 20 0 EHADRM COc1ccc(C(=O)Nc2ccccc2CN(C)C(=O)[O-])c(Cl)c1 ZINC000739882937 602638213 /nfs/dbraw/zinc/63/82/13/602638213.db2.gz WSUJQTLYGLPIJF-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM CN(CCCC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1)C(=O)[O-] ZINC000737417494 602640148 /nfs/dbraw/zinc/64/01/48/602640148.db2.gz HZXAFIXSYQUUMR-KRWDZBQOSA-N -1 0 343.427 3.612 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)OCc2csc(-c3ccoc3)n2)cc1 ZINC000738663104 602653234 /nfs/dbraw/zinc/65/32/34/602653234.db2.gz HOXGLHRPAHFCOU-UHFFFAOYSA-N -1 0 344.348 3.850 20 0 EHADRM CCN(Cc1cccc(NC(=O)c2sccc2OC)c1)C(=O)[O-] ZINC000739445036 602674380 /nfs/dbraw/zinc/67/43/80/602674380.db2.gz CIVCNQUBOWBPBP-UHFFFAOYSA-N -1 0 334.397 3.509 20 0 EHADRM C[C@@H](C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-])c1ccccc1F ZINC000738631270 602684912 /nfs/dbraw/zinc/68/49/12/602684912.db2.gz NJESZJNBFOPYOM-GFCCVEGCSA-N -1 0 342.370 3.999 20 0 EHADRM C[C@H](C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-])c1ccccc1F ZINC000738631272 602685116 /nfs/dbraw/zinc/68/51/16/602685116.db2.gz NJESZJNBFOPYOM-LBPRGKRZSA-N -1 0 342.370 3.999 20 0 EHADRM Cc1ccc(F)c2c1N(C(=O)Cc1ccc(NC(=O)[O-])cc1)CCC2 ZINC000740128860 602685684 /nfs/dbraw/zinc/68/56/84/602685684.db2.gz CDIDVYTWHJMASL-UHFFFAOYSA-N -1 0 342.370 3.746 20 0 EHADRM O=C([O-])Nc1cc(C(=O)NC2(c3ccc(Cl)cc3)CC2)ccc1F ZINC000740694819 602688534 /nfs/dbraw/zinc/68/85/34/602688534.db2.gz ANIAPNPLNFZGNI-UHFFFAOYSA-N -1 0 348.761 3.988 20 0 EHADRM Cc1ccc(C(=O)N2CCc3ccc(Cl)cc32)cc1NC(=O)[O-] ZINC000830198207 602767684 /nfs/dbraw/zinc/76/76/84/602767684.db2.gz IUBLEAHAQCUJRN-UHFFFAOYSA-N -1 0 330.771 3.941 20 0 EHADRM CC(C)(CCC(=O)Nc1ccccc1SC(F)F)NC(=O)[O-] ZINC000738745696 602784404 /nfs/dbraw/zinc/78/44/04/602784404.db2.gz ZPQKJLIYZNUSHO-UHFFFAOYSA-N -1 0 332.372 3.766 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)CCC(C)(C)NC(=O)[O-])cc1C ZINC000740117042 602797779 /nfs/dbraw/zinc/79/77/79/602797779.db2.gz FNZNFOOKFVVCHF-MRXNPFEDSA-N -1 0 332.444 3.793 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2ccc(F)cc2OC(F)F)cc1 ZINC000738659667 602814320 /nfs/dbraw/zinc/81/43/20/602814320.db2.gz BJEAZOAOJCRKDY-UHFFFAOYSA-N -1 0 340.257 3.769 20 0 EHADRM Cc1ccc(C[C@@H](C)N(C)C(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000738584186 602815394 /nfs/dbraw/zinc/81/53/94/602815394.db2.gz HCWWNNBPOCDFKK-CQSZACIVSA-N -1 0 326.396 3.788 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)N2CCC[C@H](CNC(=O)[O-])C2)cc1 ZINC000738879921 602826402 /nfs/dbraw/zinc/82/64/02/602826402.db2.gz YAENMVPZXDDZNA-JKSUJKDBSA-N -1 0 346.471 3.810 20 0 EHADRM Cc1ccc([C@@H](C)C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])o1 ZINC000830252001 602859590 /nfs/dbraw/zinc/85/95/90/602859590.db2.gz UYBBXHIXVWWJJX-GFCCVEGCSA-N -1 0 328.368 3.761 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)N1CCC[C@H]1c1ccco1)c1ccccc1 ZINC000740540405 602880568 /nfs/dbraw/zinc/88/05/68/602880568.db2.gz UIYBYJSNGZIVOT-HOTGVXAUSA-N -1 0 342.395 3.732 20 0 EHADRM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)Nc1ccc(C)cc1Cl ZINC000739967686 602882632 /nfs/dbraw/zinc/88/26/32/602882632.db2.gz IZGJVBUDXFJGKJ-OAHLLOKOSA-N -1 0 348.786 3.604 20 0 EHADRM Cc1ccc(-c2nc(COC(=O)CCC(C)(C)NC(=O)[O-])co2)cc1 ZINC000740095013 602897995 /nfs/dbraw/zinc/89/79/95/602897995.db2.gz AHZVCDIIQGFEFO-UHFFFAOYSA-N -1 0 346.383 3.520 20 0 EHADRM CC[C@H](NC(=O)Nc1ccccc1CN(C)C(=O)[O-])c1nccs1 ZINC000739268844 602901344 /nfs/dbraw/zinc/90/13/44/602901344.db2.gz SCQLMQLKNOFJBT-LBPRGKRZSA-N -1 0 348.428 3.526 20 0 EHADRM Cc1ccccc1[C@H](CC(C)C)NC(=O)c1ccc(CNC(=O)[O-])o1 ZINC000830552728 602920988 /nfs/dbraw/zinc/92/09/88/602920988.db2.gz AZEPSDTWXZSIMH-INIZCTEOSA-N -1 0 344.411 3.873 20 0 EHADRM CC(C)(CC(=O)Nc1ccccc1SC(F)(F)F)NC(=O)[O-] ZINC000738738978 602956916 /nfs/dbraw/zinc/95/69/16/602956916.db2.gz QZJUPZWJOKRKAW-UHFFFAOYSA-N -1 0 336.335 3.673 20 0 EHADRM Cc1ccc(C(=O)NC[C@H]2CCCO[C@H]2C(C)(C)C)cc1NC(=O)[O-] ZINC000830217214 602961897 /nfs/dbraw/zinc/96/18/97/602961897.db2.gz SEXNRNKGGWGPMN-GDBMZVCRSA-N -1 0 348.443 3.656 20 0 EHADRM CCC[C@H](NC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000739312397 602962182 /nfs/dbraw/zinc/96/21/82/602962182.db2.gz LRZNHRMXZVLPDL-GJZGRUSLSA-N -1 0 346.452 3.584 20 0 EHADRM COc1ccc(CCC(=O)Oc2ccc(NC(=O)[O-])cc2)cc1Cl ZINC000738091419 602963657 /nfs/dbraw/zinc/96/36/57/602963657.db2.gz UEZVVEPBDODVNA-UHFFFAOYSA-N -1 0 349.770 3.977 20 0 EHADRM Cc1nc2ccc(C(=O)Oc3ccc(NC(=O)[O-])cc3)cc2nc1C ZINC000738364212 602965000 /nfs/dbraw/zinc/96/50/00/602965000.db2.gz AZXZHOYDRFECDR-UHFFFAOYSA-N -1 0 337.335 3.556 20 0 EHADRM CC(C)C(=O)Nc1ccc(C(=O)Oc2ccc(NC(=O)[O-])cc2)cc1 ZINC000737600692 602965854 /nfs/dbraw/zinc/96/58/54/602965854.db2.gz SRILMOCHZWXLAS-UHFFFAOYSA-N -1 0 342.351 3.590 20 0 EHADRM O=C([O-])N1CC[C@H](c2nc(-c3c(Cl)cccc3Cl)no2)C1 ZINC000740509361 602973378 /nfs/dbraw/zinc/97/33/78/602973378.db2.gz QZHJTVHSEORPHX-ZETCQYMHSA-N -1 0 328.155 3.511 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)CC(C)(C)NC(=O)[O-])cc2)nc1 ZINC000740146116 603000532 /nfs/dbraw/zinc/00/05/32/603000532.db2.gz WZCHKQIHWAWJKJ-UHFFFAOYSA-N -1 0 343.383 3.557 20 0 EHADRM COc1ccc(NC(=O)c2cc3cc(F)ccc3o2)cc1NC(=O)[O-] ZINC000739918163 603006405 /nfs/dbraw/zinc/00/64/05/603006405.db2.gz APZHCMUATKHAEO-UHFFFAOYSA-N -1 0 344.298 3.923 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N(CC(F)(F)F)c2ccccc2)cc1 ZINC000738660404 603007048 /nfs/dbraw/zinc/00/70/48/603007048.db2.gz DFJTZIRQCKPMOX-UHFFFAOYSA-N -1 0 338.285 3.986 20 0 EHADRM CC[C@H](c1ccncc1)N(CC)C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736929593 603008644 /nfs/dbraw/zinc/00/86/44/603008644.db2.gz MKSVEUAKLZUMGT-MRXNPFEDSA-N -1 0 327.384 3.785 20 0 EHADRM CCCCC1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])CC1 ZINC000739329622 603010233 /nfs/dbraw/zinc/01/02/33/603010233.db2.gz LAVXIOKZFHMLDE-QLQQRZLESA-N -1 0 336.476 3.773 20 0 EHADRM Cc1ccc(SCc2nc([C@H](C)CN(C)C(=O)[O-])no2)c(C)c1 ZINC000740154883 603011543 /nfs/dbraw/zinc/01/15/43/603011543.db2.gz YDFIKIJKFPKAIN-GFCCVEGCSA-N -1 0 335.429 3.692 20 0 EHADRM Cc1ccc(CC[C@@H](C)NC(=O)c2ccc(C)c(NC(=O)[O-])c2)o1 ZINC000830296407 603013291 /nfs/dbraw/zinc/01/32/91/603013291.db2.gz KDQRIKLQNROWIM-GFCCVEGCSA-N -1 0 330.384 3.737 20 0 EHADRM C[C@@H](CN(C)C(=O)[O-])c1noc(COc2ccc3ccccc3c2)n1 ZINC000738913738 603018778 /nfs/dbraw/zinc/01/87/78/603018778.db2.gz NUGKDYRCSIIFPY-LBPRGKRZSA-N -1 0 341.367 3.515 20 0 EHADRM CC(C)N(C(=O)CNc1cc(NC(=O)[O-])ccc1F)c1ccccc1 ZINC000738836073 603019734 /nfs/dbraw/zinc/01/97/34/603019734.db2.gz TWIBMXRWCUZHQM-UHFFFAOYSA-N -1 0 345.374 3.769 20 0 EHADRM C[C@@H](CN(C)C(=O)[O-])c1noc(-c2[nH]c3ccccc3c2Cl)n1 ZINC000738911218 603019956 /nfs/dbraw/zinc/01/99/56/603019956.db2.gz QUWKVELFYAZMAK-QMMMGPOBSA-N -1 0 334.763 3.585 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc([C@@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000738909762 603022521 /nfs/dbraw/zinc/02/25/21/603022521.db2.gz QIXNCTWMFIDXHR-BBBLOLIVSA-N -1 0 335.326 3.619 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N[C@@H]2CCc3c2cccc3F)c1 ZINC000740706202 603033708 /nfs/dbraw/zinc/03/37/08/603033708.db2.gz IODDRUQYALMDGL-CQSZACIVSA-N -1 0 347.321 3.864 20 0 EHADRM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)C1 ZINC000739080087 603038986 /nfs/dbraw/zinc/03/89/86/603038986.db2.gz BLTQWXDLURXDSE-ODVANORSSA-N -1 0 348.418 3.562 20 0 EHADRM C[C@H](NC(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-])C1CCCC1 ZINC000738985982 603039433 /nfs/dbraw/zinc/03/94/33/603039433.db2.gz GYNLRXHQMQJUIS-LBPRGKRZSA-N -1 0 331.416 3.817 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)N[C@@H](CNC(=O)[O-])C1CC1 ZINC000738759906 603040376 /nfs/dbraw/zinc/04/03/76/603040376.db2.gz MLFGXJRYOYDBLL-HNNXBMFYSA-N -1 0 348.468 3.521 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)[C@H]2CCCc3ccccc32)cc1 ZINC000827901600 603047422 /nfs/dbraw/zinc/04/74/22/603047422.db2.gz YIVQUKOBHRUMJH-KRWDZBQOSA-N -1 0 325.364 3.826 20 0 EHADRM C[C@@H](Oc1cccc(Cl)c1)C(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000825616772 603050811 /nfs/dbraw/zinc/05/08/11/603050811.db2.gz KCRBOCIBUJBKLF-LLVKDONJSA-N -1 0 349.770 3.827 20 0 EHADRM O=C([O-])N1CCC[C@H](C(=O)Nc2cccc(Nc3ccccc3)c2)C1 ZINC000738511734 603053581 /nfs/dbraw/zinc/05/35/81/603053581.db2.gz XJCLEWWBWHWSRM-AWEZNQCLSA-N -1 0 339.395 3.759 20 0 EHADRM O=C([O-])NC1(c2noc(-c3cc4cc(F)ccc4o3)n2)CCCC1 ZINC000740547650 603054508 /nfs/dbraw/zinc/05/45/08/603054508.db2.gz JFGHTXWOWVYVBQ-UHFFFAOYSA-N -1 0 331.303 3.659 20 0 EHADRM CCc1cnc(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)s1 ZINC000827616301 603072679 /nfs/dbraw/zinc/07/26/79/603072679.db2.gz MGBDWCRTGVQRNP-UHFFFAOYSA-N -1 0 325.777 3.701 20 0 EHADRM CN(CCc1cccs1)C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000828341965 603088632 /nfs/dbraw/zinc/08/86/32/603088632.db2.gz XDKRWSQSKJGFJA-UHFFFAOYSA-N -1 0 338.816 3.806 20 0 EHADRM CCC(CC)(CNC(=O)c1ccc(CNC(=O)[O-])o1)c1ccccc1 ZINC000826552628 603089404 /nfs/dbraw/zinc/08/94/04/603089404.db2.gz QTZBURQMIOGIPN-UHFFFAOYSA-N -1 0 344.411 3.535 20 0 EHADRM CN(C(=O)c1ccc(F)c(NC(=O)[O-])c1)[C@H]1CCc2ccccc2C1 ZINC000739592981 603103106 /nfs/dbraw/zinc/10/31/06/603103106.db2.gz CYOOXIFETNJFHV-HNNXBMFYSA-N -1 0 342.370 3.545 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@H](C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000740568460 603149894 /nfs/dbraw/zinc/14/98/94/603149894.db2.gz FSRNEQXCACFWAM-WPRPVWTQSA-N -1 0 331.199 3.758 20 0 EHADRM C[C@H](OC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1)c1nc2ccccc2s1 ZINC000739043301 603153555 /nfs/dbraw/zinc/15/35/55/603153555.db2.gz HNEBYROYRTVYPK-QJPTWQEYSA-N -1 0 348.424 3.727 20 0 EHADRM Cc1cc(C)cc(NC(=O)[C@H](C)Oc2ccc(NC(=O)[O-])cc2)c1 ZINC000830004781 603155665 /nfs/dbraw/zinc/15/56/65/603155665.db2.gz SKDNMWUJVCGQIM-ZDUSSCGKSA-N -1 0 328.368 3.799 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)[O-])cc1)C(=O)NCc1ccccc1Cl ZINC000825618399 603157919 /nfs/dbraw/zinc/15/79/19/603157919.db2.gz VZDVZYTXOREUTI-NSHDSACASA-N -1 0 348.786 3.514 20 0 EHADRM CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739440549 603165831 /nfs/dbraw/zinc/16/58/31/603165831.db2.gz CLQVPKUZUTYQLL-ZFWWWQNUSA-N -1 0 338.835 3.515 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000740714698 603172493 /nfs/dbraw/zinc/17/24/93/603172493.db2.gz XQCYWMUSAQQBCX-PWSUYJOCSA-N -1 0 332.306 3.797 20 0 EHADRM Cc1ccc(NC(=S)N[C@@](C)(CNC(=O)[O-])CC(C)C)c(C)c1 ZINC000740139628 603174153 /nfs/dbraw/zinc/17/41/53/603174153.db2.gz VFCHMOJYQFYIQN-QGZVFWFLSA-N -1 0 337.489 3.662 20 0 EHADRM Cc1ccc(NC(=S)Nc2cccc3c2CCN(C(=O)[O-])C3)cc1 ZINC000740139012 603174171 /nfs/dbraw/zinc/17/41/71/603174171.db2.gz HRGPAXCYZIGHIJ-UHFFFAOYSA-N -1 0 341.436 3.840 20 0 EHADRM CCCOc1ccc(NC(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)c(C)c1 ZINC000739363911 603177461 /nfs/dbraw/zinc/17/74/61/603177461.db2.gz LVGWQIROTREDSO-ZIAGYGMSSA-N -1 0 334.416 3.549 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)[C@@H]2CSc3ccccc32)cc1 ZINC000825415725 603180634 /nfs/dbraw/zinc/18/06/34/603180634.db2.gz HSNZBFQBOCNVTH-XHDPSFHLSA-N -1 0 342.420 3.843 20 0 EHADRM O=C([O-])N1CCC[C@@H]1C1CCN(c2ccnc3ccsc32)CC1 ZINC000832007635 603181814 /nfs/dbraw/zinc/18/18/14/603181814.db2.gz ZXXULQRGLLFVSL-CQSZACIVSA-N -1 0 331.441 3.655 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000825015564 603182098 /nfs/dbraw/zinc/18/20/98/603182098.db2.gz HFFIVJSNZZCCCD-OLZOCXBDSA-N -1 0 344.386 3.972 20 0 EHADRM CC[C@@H](Nc1ccccc1)C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000826619558 603187209 /nfs/dbraw/zinc/18/72/09/603187209.db2.gz KGUWPKOTPSZECR-SUMWQHHRSA-N -1 0 341.411 3.844 20 0 EHADRM CC(C)n1cc2ccc(NC(=O)c3cccc(NC(=O)[O-])c3)cc2n1 ZINC000736532758 603188496 /nfs/dbraw/zinc/18/84/96/603188496.db2.gz NABVBESPUZQQGP-UHFFFAOYSA-N -1 0 338.367 3.959 20 0 EHADRM CC(=O)c1csc(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)c1 ZINC000823640598 603192627 /nfs/dbraw/zinc/19/26/27/603192627.db2.gz HVGPDERPNQBBTB-VIFPVBQESA-N -1 0 332.381 3.532 20 0 EHADRM COc1ccccc1[C@H](C)NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739961001 603204212 /nfs/dbraw/zinc/20/42/12/603204212.db2.gz RLEYSWZIYAMWEG-JTQLQIEISA-N -1 0 348.786 3.930 20 0 EHADRM Cc1ccc(C(=O)NC[C@@H](C)c2ccc(F)cc2F)cc1NC(=O)[O-] ZINC000830211156 603208879 /nfs/dbraw/zinc/20/88/79/603208879.db2.gz KCAPPFJWJZFARQ-LLVKDONJSA-N -1 0 348.349 3.897 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)C1 ZINC000740180332 603211059 /nfs/dbraw/zinc/21/10/59/603211059.db2.gz FLAGQRTYIQNRIX-NXOAAHMSSA-N -1 0 344.455 3.526 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(NC(=O)[O-])cc1Cl)c1ccncc1 ZINC000739267999 603212908 /nfs/dbraw/zinc/21/29/08/603212908.db2.gz GBCSFHVLGSWYFF-CQSZACIVSA-N -1 0 333.775 3.706 20 0 EHADRM CCc1ccc(CNC(=O)c2ccc(NC(=O)[O-])cc2Cl)s1 ZINC000739540891 603221119 /nfs/dbraw/zinc/22/11/19/603221119.db2.gz CRHUPNOGYVLGAJ-UHFFFAOYSA-N -1 0 338.816 3.984 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=S)N[C@@H]2CCCC[C@@H]2C)cc1 ZINC000825448359 603238686 /nfs/dbraw/zinc/23/86/86/603238686.db2.gz DLRYSTAYJQLWAW-SLEUVZQESA-N -1 0 335.473 3.880 20 0 EHADRM O=C([O-])N1CCC[C@H]1[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)C1 ZINC000740341354 603253379 /nfs/dbraw/zinc/25/33/79/603253379.db2.gz MOGSPZPMKHIPQQ-MLHJIOFPSA-N -1 0 348.487 3.584 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)NC[C@H](NC(=O)[O-])c1ccccc1 ZINC000830329571 603254191 /nfs/dbraw/zinc/25/41/91/603254191.db2.gz XZIMDXWZSJLLFW-HNNXBMFYSA-N -1 0 347.802 3.779 20 0 EHADRM COCc1cccc(NC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)c1 ZINC000829039765 603270771 /nfs/dbraw/zinc/27/07/71/603270771.db2.gz BLDGKGCDDZIJBK-GFCCVEGCSA-N -1 0 343.383 3.806 20 0 EHADRM COc1ccc(NC(=O)N(C)CCc2cccs2)cc1NC(=O)[O-] ZINC000829460124 603270781 /nfs/dbraw/zinc/27/07/81/603270781.db2.gz INGALMPRYMUQJU-UHFFFAOYSA-N -1 0 349.412 3.553 20 0 EHADRM C[C@H](C(=O)Nc1ccc2[nH]ccc2c1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823713174 603283517 /nfs/dbraw/zinc/28/35/17/603283517.db2.gz MFUKICKLJUHSOA-YVEFUNNKSA-N -1 0 337.379 3.751 20 0 EHADRM O=C([O-])N1CC[C@H](C(=O)N2CCC[C@H]2c2cccc3ccccc32)C1 ZINC000740493127 603286705 /nfs/dbraw/zinc/28/67/05/603286705.db2.gz DLDOZGULBUCMNP-YJBOKZPZSA-N -1 0 338.407 3.503 20 0 EHADRM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736763800 603294034 /nfs/dbraw/zinc/29/40/34/603294034.db2.gz VOSULZFKNQFZSY-IUODEOHRSA-N -1 0 342.370 3.934 20 0 EHADRM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C[C@H](C)NC(=O)[O-] ZINC000824551562 603295605 /nfs/dbraw/zinc/29/56/05/603295605.db2.gz LJPRMRYLVOOXSG-DTWKUNHWSA-N -1 0 333.215 3.559 20 0 EHADRM Cc1ccc(C(=O)N(c2ccc(CNC(=O)[O-])cc2C)C2CC2)s1 ZINC000740104815 603297679 /nfs/dbraw/zinc/29/76/79/603297679.db2.gz DSTYABZGKGVFDU-UHFFFAOYSA-N -1 0 344.436 3.942 20 0 EHADRM Cc1ccc(C(=O)N2CCCN(C(=O)[O-])c3ccccc32)cc1F ZINC000740108994 603298342 /nfs/dbraw/zinc/29/83/42/603298342.db2.gz MGLDRFJEDVTYGD-UHFFFAOYSA-N -1 0 328.343 3.669 20 0 EHADRM O=C([O-])N1CCCN(C(=O)c2cccc(Cl)c2)c2ccccc21 ZINC000740516290 603299018 /nfs/dbraw/zinc/29/90/18/603299018.db2.gz TTXSPCGEVHLWNL-UHFFFAOYSA-N -1 0 330.771 3.875 20 0 EHADRM CCN(CCc1cccs1)C(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000827156154 603306927 /nfs/dbraw/zinc/30/69/27/603306927.db2.gz BXARLPICNYSTGL-UHFFFAOYSA-N -1 0 332.425 3.851 20 0 EHADRM CN(CCCNC(=O)[O-])C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000739677902 603317363 /nfs/dbraw/zinc/31/73/63/603317363.db2.gz TWHQNGSKSIJOSG-UHFFFAOYSA-N -1 0 343.383 3.600 20 0 EHADRM CCC[C@H](CC1CCCCC1)C(=O)N1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739306661 603320168 /nfs/dbraw/zinc/32/01/68/603320168.db2.gz RHLLZXDGFQDIQS-USXIJHARSA-N -1 0 338.492 3.878 20 0 EHADRM C[C@@H]1CCC[C@H](C)CN1C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000825889303 603327731 /nfs/dbraw/zinc/32/77/31/603327731.db2.gz WIVHQVRYPUXQRL-UONOGXRCSA-N -1 0 333.432 3.839 20 0 EHADRM CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000739268793 603335873 /nfs/dbraw/zinc/33/58/73/603335873.db2.gz UKZBPLAXTPIAJL-ZFWWWQNUSA-N -1 0 333.432 3.887 20 0 EHADRM CCC1(C)CCN(C(=O)Nc2ccccc2CN(C)C(=O)[O-])CC1 ZINC000739262350 603336820 /nfs/dbraw/zinc/33/68/20/603336820.db2.gz DHSONWOFQMEZKN-UHFFFAOYSA-N -1 0 333.432 3.840 20 0 EHADRM CC(=O)Nc1cc(NC(=O)c2ccc(C)c(NC(=O)[O-])c2)ccc1C ZINC000823592051 603342749 /nfs/dbraw/zinc/34/27/49/603342749.db2.gz NRWKEGIXIKOQPQ-UHFFFAOYSA-N -1 0 341.367 3.604 20 0 EHADRM CCN(Cc1ccccc1NC(=O)NCC1(C)CCCC1)C(=O)[O-] ZINC000739442866 603354586 /nfs/dbraw/zinc/35/45/86/603354586.db2.gz NLKWEVXKEIPYBM-UHFFFAOYSA-N -1 0 333.432 3.888 20 0 EHADRM C[C@@H](CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1)NC(=O)[O-] ZINC000824584332 603357286 /nfs/dbraw/zinc/35/72/86/603357286.db2.gz YOOWXXJAOIRFID-BBRMVZONSA-N -1 0 332.444 3.694 20 0 EHADRM C[C@@H](CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)NC(=O)[O-] ZINC000824583397 603361475 /nfs/dbraw/zinc/36/14/75/603361475.db2.gz UDEUDTFYDIWCHT-ZANVPECISA-N -1 0 345.226 3.703 20 0 EHADRM Cc1ccc(NC(=O)C[C@@H](C)NC(=O)[O-])c(OCc2ccccc2)c1 ZINC000830364272 603371675 /nfs/dbraw/zinc/37/16/75/603371675.db2.gz PIILWBDXUMSHPI-CQSZACIVSA-N -1 0 342.395 3.559 20 0 EHADRM Cc1cc(C)c(-c2nnc(SC[C@@H]3CCN(C(=O)[O-])C3)o2)c(C)c1 ZINC000740063346 603374443 /nfs/dbraw/zinc/37/44/43/603374443.db2.gz KFNFYAHJKZBYBS-CYBMUJFWSA-N -1 0 347.440 3.754 20 0 EHADRM Cc1cccc(NC(=S)NC[C@H](NC(=O)[O-])c2ccccc2)c1C ZINC000740170468 603379004 /nfs/dbraw/zinc/37/90/04/603379004.db2.gz JBCIFGGNTPRXEI-INIZCTEOSA-N -1 0 343.452 3.599 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N[C@@H]2CCCc3occc32)cc1 ZINC000825426843 603379874 /nfs/dbraw/zinc/37/98/74/603379874.db2.gz KZEDWYZZSAEZHP-IAQYHMDHSA-N -1 0 343.383 3.807 20 0 EHADRM C[C@@H](CC(=O)Nc1ccccc1Oc1cccc(F)c1)NC(=O)[O-] ZINC000824702707 603386390 /nfs/dbraw/zinc/38/63/90/603386390.db2.gz FKEYHNFWPCKSLG-NSHDSACASA-N -1 0 332.331 3.603 20 0 EHADRM CCc1ccccc1CNC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000827598878 603389062 /nfs/dbraw/zinc/38/90/62/603389062.db2.gz ABXCSTFHHQPQNL-ZDUSSCGKSA-N -1 0 341.411 3.899 20 0 EHADRM CCCN(C(=O)C[C@@H](C)NC(=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000826856965 603394009 /nfs/dbraw/zinc/39/40/09/603394009.db2.gz HMZBMVCKKHPVFL-OLZOCXBDSA-N -1 0 332.400 3.779 20 0 EHADRM CCN(CC(=O)Nc1ccccc1O[C@H](C)c1ccccc1)C(=O)[O-] ZINC000739398422 603398452 /nfs/dbraw/zinc/39/84/52/603398452.db2.gz WHDNWXVCXWXDAI-CQSZACIVSA-N -1 0 342.395 3.765 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc([C@H]2C[C@@]23CCc2ccccc23)n1 ZINC000824217613 603412636 /nfs/dbraw/zinc/41/26/36/603412636.db2.gz HCSNRMBGDRLVHI-ZRGWGRIASA-N -1 0 341.411 3.796 20 0 EHADRM Cc1cc(-c2noc([C@H](CNC(=O)[O-])c3ccccc3)n2)ccc1F ZINC000829889346 603413485 /nfs/dbraw/zinc/41/34/85/603413485.db2.gz QBIMZIHCFOUFFD-CQSZACIVSA-N -1 0 341.342 3.584 20 0 EHADRM CC(C)[C@@H](CC1CCCCC1)C(=O)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738773343 603431318 /nfs/dbraw/zinc/43/13/18/603431318.db2.gz JRBMDXNRNIQWJO-DLBZAZTESA-N -1 0 338.492 3.687 20 0 EHADRM C[C@H](C(=O)Nc1cccc2cnccc21)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823722311 603448247 /nfs/dbraw/zinc/44/82/47/603448247.db2.gz DPKBDESCVMYGFC-UGSOOPFHSA-N -1 0 349.390 3.818 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)cc1Cl ZINC000824418372 603465253 /nfs/dbraw/zinc/46/52/53/603465253.db2.gz LXIIDMQNRDLSJR-QWRGUYRKSA-N -1 0 340.807 3.502 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)[C@@H]3CC[C@@H](NC(=O)[O-])C3)ccc2o1 ZINC000823864033 603467119 /nfs/dbraw/zinc/46/71/19/603467119.db2.gz GNLMZZYJBBWJFW-GHMZBOCLSA-N -1 0 345.399 3.500 20 0 EHADRM Cc1cc(F)ccc1CCNC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000830068967 603470987 /nfs/dbraw/zinc/47/09/87/603470987.db2.gz RGPMQXXDEWJQKM-UHFFFAOYSA-N -1 0 331.347 3.588 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000829867714 603477201 /nfs/dbraw/zinc/47/72/01/603477201.db2.gz ROUYJKMXJYJESU-CQSZACIVSA-N -1 0 348.443 3.639 20 0 EHADRM CC(C)(C)n1nc(C(=O)Oc2cccc(NC(=O)[O-])c2)cc1C1CC1 ZINC000823877327 603483816 /nfs/dbraw/zinc/48/38/16/603483816.db2.gz WBBNELUJFKIVQX-UHFFFAOYSA-N -1 0 343.383 3.825 20 0 EHADRM CCCOc1ccc(NC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)cc1Cl ZINC000826939433 603499457 /nfs/dbraw/zinc/49/94/57/603499457.db2.gz KPMSTZHNZIVZQV-WDEREUQCSA-N -1 0 340.807 3.504 20 0 EHADRM Cc1ccc(C(=O)OCc2ccc3ccccc3n2)cc1NC(=O)[O-] ZINC000830244537 603529317 /nfs/dbraw/zinc/52/93/17/603529317.db2.gz BWFZRDQNTJBFED-UHFFFAOYSA-N -1 0 336.347 3.990 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N1CCCCC[C@@H]1C ZINC000829175043 603538618 /nfs/dbraw/zinc/53/86/18/603538618.db2.gz XHFVRDQSJIWUJY-JTQLQIEISA-N -1 0 340.807 3.843 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(-c2cccc3cnccc32)n1 ZINC000824216982 603542654 /nfs/dbraw/zinc/54/26/54/603542654.db2.gz BCDZXYJKDQIQCJ-AWEZNQCLSA-N -1 0 326.356 3.640 20 0 EHADRM COc1ccc(NC(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)cc1NC(=O)[O-] ZINC000829458862 603581629 /nfs/dbraw/zinc/58/16/29/603581629.db2.gz BLBGCQDKBGPHNX-XUJVJEKNSA-N -1 0 347.415 3.970 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)Nc2cccc(NC3CCCC3)c2)C1 ZINC000832325105 603586734 /nfs/dbraw/zinc/58/67/34/603586734.db2.gz KCSOVKFXMSZCSX-UKRRQHHQSA-N -1 0 345.443 3.806 20 0 EHADRM Cc1cc([C@H](C)NC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])ccc1F ZINC000829981237 603717086 /nfs/dbraw/zinc/71/70/86/603717086.db2.gz WFJKXGINZPJRAL-WYQXTGKHSA-N -1 0 348.418 3.622 20 0 EHADRM CC(C)(CC(=O)Nc1ccccc1CCC(F)(F)F)NC(=O)[O-] ZINC000823885522 603726735 /nfs/dbraw/zinc/72/67/35/603726735.db2.gz HZZHXLLBMXXOSC-UHFFFAOYSA-N -1 0 332.322 3.556 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(C2(c3ccc(F)cc3)CC2)n1 ZINC000824216980 603767300 /nfs/dbraw/zinc/76/73/00/603767300.db2.gz BBRVVPUWRBKEES-CYBMUJFWSA-N -1 0 333.363 3.643 20 0 EHADRM CC(C)(c1nc(C2(NC(=O)[O-])CCCC2)no1)c1ccc(F)cc1 ZINC000824039443 603769756 /nfs/dbraw/zinc/76/97/56/603769756.db2.gz WDNCOGBDAGINRW-UHFFFAOYSA-N -1 0 333.363 3.572 20 0 EHADRM C[C@@H](NC(=O)[O-])C(=O)Nc1cc(Cl)ccc1NCc1ccccc1 ZINC000825186645 603816146 /nfs/dbraw/zinc/81/61/46/603816146.db2.gz RZYLULPAEDTTBA-LLVKDONJSA-N -1 0 347.802 3.547 20 0 EHADRM CC(C)C[C@@H](NC(=O)CC1CN(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000824204305 603835026 /nfs/dbraw/zinc/83/50/26/603835026.db2.gz QCVRTSVQKLHGEM-OAHLLOKOSA-N -1 0 338.835 3.543 20 0 EHADRM Cc1c(CSC(C)C)cccc1NC(=O)CC1CN(C(=O)[O-])C1 ZINC000829867788 603841935 /nfs/dbraw/zinc/84/19/35/603841935.db2.gz SMBUJDDDGQGQGA-UHFFFAOYSA-N -1 0 336.457 3.575 20 0 EHADRM O=C([O-])NC1(CC(=O)Nc2ccc(CCC(F)(F)F)cc2)CCC1 ZINC000832211035 603887202 /nfs/dbraw/zinc/88/72/02/603887202.db2.gz KFPOASSJGCPASG-UHFFFAOYSA-N -1 0 344.333 3.700 20 0 EHADRM C[C@H](C(=O)Nc1cccc2c1CCN2C(=O)[O-])c1ccccc1F ZINC000823722246 603947154 /nfs/dbraw/zinc/94/71/54/603947154.db2.gz CMMKWVHKGBMTGQ-NSHDSACASA-N -1 0 328.343 3.608 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)c1cc(-c2ccccc2)no1 ZINC000831793679 603953451 /nfs/dbraw/zinc/95/34/51/603953451.db2.gz OPHWZHBURDFVLW-UHFFFAOYSA-N -1 0 349.346 3.634 20 0 EHADRM O=C([O-])N[C@@H](CC(=O)Nc1cccc(C(F)F)c1)Cc1ccccc1 ZINC000832114074 603966642 /nfs/dbraw/zinc/96/66/42/603966642.db2.gz RNIGCEUGIPFZLJ-OAHLLOKOSA-N -1 0 348.349 3.832 20 0 EHADRM CCc1ccc(CNC(=O)Nc2cccc3c2CCN3C(=O)[O-])s1 ZINC000827584961 603974161 /nfs/dbraw/zinc/97/41/61/603974161.db2.gz XEOQGFMGNDMTCC-UHFFFAOYSA-N -1 0 345.424 3.673 20 0 EHADRM C[C@H]1CCN(C(=O)Cc2ccc(NC(=O)[O-])cc2)[C@H](c2ccco2)C1 ZINC000825938143 604024740 /nfs/dbraw/zinc/02/47/40/604024740.db2.gz MFRCOCXCSYKBNN-BBRMVZONSA-N -1 0 342.395 3.912 20 0 EHADRM C[C@H]1CCN(C(=O)CCCCCCNC(=O)[O-])[C@H](c2ccco2)C1 ZINC000825937049 604024913 /nfs/dbraw/zinc/02/49/13/604024913.db2.gz FXHFRWCRRKSCIK-GJZGRUSLSA-N -1 0 336.432 3.797 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cccc(NC(=O)[O-])c2)[C@@H](c2ccco2)C1 ZINC000825944798 604025342 /nfs/dbraw/zinc/02/53/42/604025342.db2.gz QBUKGFWZNCATDP-IUODEOHRSA-N -1 0 328.368 3.983 20 0 EHADRM Cc1cc(Cl)ccc1NC(=O)N1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000830050744 604062303 /nfs/dbraw/zinc/06/23/03/604062303.db2.gz XWWLWURUCRTVOQ-RYUDHWBXSA-N -1 0 339.823 3.548 20 0 EHADRM Cc1cc(C)c(NC(=O)N2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)c(C)c1 ZINC000829990769 604062437 /nfs/dbraw/zinc/06/24/37/604062437.db2.gz HJLOXHVDDKSTMD-LSDHHAIUSA-N -1 0 333.432 3.512 20 0 EHADRM CCCCCn1nc(C)cc1NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000826826603 604083967 /nfs/dbraw/zinc/08/39/67/604083967.db2.gz UAKXPYJCFFIOJG-UHFFFAOYSA-N -1 0 348.378 3.863 20 0 EHADRM CC(C)[C@H](CCN(C)C(=O)Nc1ccc(F)cc1Cl)NC(=O)[O-] ZINC000824083850 604118556 /nfs/dbraw/zinc/11/85/56/604118556.db2.gz GYAKSYSAPNJKET-LBPRGKRZSA-N -1 0 345.802 3.625 20 0 EHADRM Cc1cc(Cl)ccc1NC(=O)N(C)C1CCC(NC(=O)[O-])CC1 ZINC000830050592 604119923 /nfs/dbraw/zinc/11/99/23/604119923.db2.gz SUCMEMQFJFHYAU-UHFFFAOYSA-N -1 0 339.823 3.691 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000825426675 604136640 /nfs/dbraw/zinc/13/66/40/604136640.db2.gz IEIAPWLNHUYQRK-NOLJZWGESA-N -1 0 331.416 3.812 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000832069613 604138544 /nfs/dbraw/zinc/13/85/44/604138544.db2.gz MXAGMCQWKHRDSX-IUODEOHRSA-N -1 0 329.400 3.524 20 0 EHADRM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)c2ccc(Cl)cc2Cl)C1 ZINC000825242959 604150285 /nfs/dbraw/zinc/15/02/85/604150285.db2.gz BTKOZVLAQVHATI-UWVGGRQHSA-N -1 0 345.226 3.502 20 0 EHADRM O=C([O-])NC1(CC(=O)Nc2ccc(COC3CCCC3)cc2)CCC1 ZINC000832211010 604186935 /nfs/dbraw/zinc/18/69/35/604186935.db2.gz JIBDVANAZFLDDG-UHFFFAOYSA-N -1 0 346.427 3.665 20 0 EHADRM C[C@@H](OC(=O)C[C@@H](Cc1ccccc1)NC(=O)[O-])c1cccs1 ZINC000825570422 604246892 /nfs/dbraw/zinc/24/68/92/604246892.db2.gz JVZZLIQEIUKEFI-TZMCWYRMSA-N -1 0 333.409 3.621 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)cc1F ZINC000833309260 604273356 /nfs/dbraw/zinc/27/33/56/604273356.db2.gz BZECTIWLNVQQIC-INIZCTEOSA-N -1 0 349.308 3.779 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000832844425 604277756 /nfs/dbraw/zinc/27/77/56/604277756.db2.gz BXSILWHZKWAUDU-GFCCVEGCSA-N -1 0 344.411 3.608 20 0 EHADRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc(-c3ccco3)s2)C1 ZINC000825242919 604293923 /nfs/dbraw/zinc/29/39/23/604293923.db2.gz BDOMFBSMJTXKBB-NWDGAFQWSA-N -1 0 348.424 3.516 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000556219604 604300076 /nfs/dbraw/zinc/30/00/76/604300076.db2.gz YTRIDNRFFSBNJP-UHFFFAOYSA-N -1 0 328.412 3.692 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc(F)c(Cl)c1)c1ccc(Cl)cc1 ZINC000833126069 604330907 /nfs/dbraw/zinc/33/09/07/604330907.db2.gz QVWYECQEZWKBHJ-CYBMUJFWSA-N -1 0 342.153 3.688 20 0 EHADRM Cc1cccc(C)c1CCNC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000832965131 604335954 /nfs/dbraw/zinc/33/59/54/604335954.db2.gz XZEAHYBSXPAIRR-UHFFFAOYSA-N -1 0 340.423 3.685 20 0 EHADRM Cc1cc(NCc2ccc([C@@H](C)NC(=O)[O-])cc2)nc(C2CC2)n1 ZINC000830121616 604346561 /nfs/dbraw/zinc/34/65/61/604346561.db2.gz FYKCCLGTZWYONB-GFCCVEGCSA-N -1 0 326.400 3.603 20 0 EHADRM O=C([O-])c1cccc(C(=O)NC2(c3cccc(Cl)c3)CCCC2)n1 ZINC000833328207 604352435 /nfs/dbraw/zinc/35/24/35/604352435.db2.gz BYJGCVYDFMAGDE-UHFFFAOYSA-N -1 0 344.798 3.633 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000826103215 604376995 /nfs/dbraw/zinc/37/69/95/604376995.db2.gz OESKGWGRMKXKAS-HNNXBMFYSA-N -1 0 331.799 3.922 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1cccc(F)c1F)c1ccccc1 ZINC000826103239 604377775 /nfs/dbraw/zinc/37/77/75/604377775.db2.gz OTWOCKHWPUJVEI-HNNXBMFYSA-N -1 0 333.334 3.547 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000826103184 604383049 /nfs/dbraw/zinc/38/30/49/604383049.db2.gz NUVCJGPUPRACKI-HNNXBMFYSA-N -1 0 331.799 3.922 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1cc2c(s1)CCC2)c1ccccc1 ZINC000826102894 604383058 /nfs/dbraw/zinc/38/30/58/604383058.db2.gz LBQMMLCTABPDIP-INIZCTEOSA-N -1 0 343.448 3.819 20 0 EHADRM CSc1ccccc1C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000832790760 604391844 /nfs/dbraw/zinc/39/18/44/604391844.db2.gz REROCJMULZEHLP-MRXNPFEDSA-N -1 0 343.448 3.990 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)O[C@H]2CCc3sc(Cl)cc32)C1 ZINC000833190037 604415520 /nfs/dbraw/zinc/41/55/20/604415520.db2.gz VQZKPJLIGLYUKF-KKZNHRDASA-N -1 0 328.817 3.823 20 0 EHADRM O=C([O-])c1ccc(CNCc2ccc(Cl)cc2Br)o1 ZINC000756281625 604419722 /nfs/dbraw/zinc/41/97/22/604419722.db2.gz GIQDXKSNWHBLQD-UHFFFAOYSA-N -1 0 344.592 3.684 20 0 EHADRM O=C([O-])NC1(c2noc(-c3cc(C(F)(F)F)ccc3F)n2)CCC1 ZINC000832224157 604424589 /nfs/dbraw/zinc/42/45/89/604424589.db2.gz ZBASJRYGONBLBB-UHFFFAOYSA-N -1 0 345.252 3.541 20 0 EHADRM C[C@H](CCSc1ccccc1)OC(=O)c1cccc(C(=O)[O-])n1 ZINC000827422360 604425373 /nfs/dbraw/zinc/42/53/73/604425373.db2.gz QRXPSCQZHXABQE-GFCCVEGCSA-N -1 0 331.393 3.508 20 0 EHADRM CCCCCOc1ccc(C(=O)Nc2cncc(C(=O)[O-])c2)cc1 ZINC000829364191 604425595 /nfs/dbraw/zinc/42/55/95/604425595.db2.gz VHAHHKMTOACIQT-UHFFFAOYSA-N -1 0 328.368 3.601 20 0 EHADRM Cc1ccc2nc(C3CC3)cc(C(=O)Nc3cncc(C(=O)[O-])c3)c2c1 ZINC000832959021 604425967 /nfs/dbraw/zinc/42/59/67/604425967.db2.gz AYFDDRJQPOQKLX-UHFFFAOYSA-N -1 0 347.374 3.766 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1c(F)cccc1F ZINC000829028198 604426934 /nfs/dbraw/zinc/42/69/34/604426934.db2.gz UDINXHYEVMECPG-HNNXBMFYSA-N -1 0 333.334 3.643 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000825383808 604427757 /nfs/dbraw/zinc/42/77/57/604427757.db2.gz XEXQFFSNUJCWQQ-KBPBESRZSA-N -1 0 341.411 3.576 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cc(F)ccc1F ZINC000829025721 604428991 /nfs/dbraw/zinc/42/89/91/604428991.db2.gz FKXXQKBGXPAUGU-INIZCTEOSA-N -1 0 333.334 3.643 20 0 EHADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)C[C@H](C)c1ccc(C(C)C)cc1 ZINC000827000686 604438598 /nfs/dbraw/zinc/43/85/98/604438598.db2.gz HYSAOADBAFMFGD-MAUKXSAKSA-N -1 0 349.471 3.640 20 0 EHADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)C[C@H](C)c1ccc(C(C)C)cc1 ZINC000827000688 604438633 /nfs/dbraw/zinc/43/86/33/604438633.db2.gz HYSAOADBAFMFGD-YJBOKZPZSA-N -1 0 349.471 3.640 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000825612407 604439816 /nfs/dbraw/zinc/43/98/16/604439816.db2.gz SICXTSXEVHWBTM-AWEZNQCLSA-N -1 0 348.443 3.863 20 0 EHADRM CCc1ccsc1C(=O)NCc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000827604648 604448147 /nfs/dbraw/zinc/44/81/47/604448147.db2.gz PXWXHVDJKJGGHA-LLVKDONJSA-N -1 0 332.425 3.569 20 0 EHADRM CC(C)(C)O[C@@H](C(=O)NCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000833446280 604462958 /nfs/dbraw/zinc/46/29/58/604462958.db2.gz SRWUVKGGKSPUIP-QGZVFWFLSA-N -1 0 341.407 3.557 20 0 EHADRM CC(C)(CCC(=O)Oc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC000833456809 604469434 /nfs/dbraw/zinc/46/94/34/604469434.db2.gz BKNZFCMAOOXATP-UHFFFAOYSA-N -1 0 326.392 3.977 20 0 EHADRM COc1cc(OC)cc([C@H](C(=O)[O-])N2C[C@H](C)[C@H]2c2ccccc2)c1 ZINC000832041104 604481083 /nfs/dbraw/zinc/48/10/83/604481083.db2.gz NRVRTBVJOQVXBF-FASAQXTFSA-N -1 0 341.407 3.523 20 0 EHADRM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000828151749 604482161 /nfs/dbraw/zinc/48/21/61/604482161.db2.gz ZXQAPLIADUJKTI-OCCSQVGLSA-N -1 0 344.436 3.931 20 0 EHADRM O=C([O-])c1csc(NC(=O)NCc2ccccc2C(F)(F)F)c1 ZINC000833147268 604486835 /nfs/dbraw/zinc/48/68/35/604486835.db2.gz ZGOMBCSCAUFZHA-UHFFFAOYSA-N -1 0 344.314 3.787 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)Nc2cc(C(=O)[O-])cs2)n1 ZINC000832967574 604501006 /nfs/dbraw/zinc/50/10/06/604501006.db2.gz IGQQKBVFUGPRPT-ZDUSSCGKSA-N -1 0 331.397 3.519 20 0 EHADRM CCc1noc(C)c1NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833679517 604517386 /nfs/dbraw/zinc/51/73/86/604517386.db2.gz REGAENAADZZGIG-OAHLLOKOSA-N -1 0 345.399 3.519 20 0 EHADRM Cc1ccc([C@H](CNC(=O)c2cccc(C)c2Cl)C(=O)[O-])cc1 ZINC000431522261 604526500 /nfs/dbraw/zinc/52/65/00/604526500.db2.gz UDDKOMDJWJDTDN-HNNXBMFYSA-N -1 0 331.799 3.555 20 0 EHADRM C[C@H]1CCCN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])CC1 ZINC000828265684 604532470 /nfs/dbraw/zinc/53/24/70/604532470.db2.gz GONVPQNYUUJSHN-HOCLYGCPSA-N -1 0 332.444 3.670 20 0 EHADRM CCCN(CC1CC1)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000829487148 604532559 /nfs/dbraw/zinc/53/25/59/604532559.db2.gz WOEIQKDMWRORIB-MRXNPFEDSA-N -1 0 332.444 3.670 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2nc(Cl)ccc2Cl)oc1C(=O)[O-] ZINC000832874719 604542824 /nfs/dbraw/zinc/54/28/24/604542824.db2.gz PSGGGFKRYRVGLY-SSDOTTSWSA-N -1 0 344.150 3.906 20 0 EHADRM O=C([O-])c1cc(CN2CCC[C@@H]2c2cccc(Br)c2)c[nH]1 ZINC000833778845 604542849 /nfs/dbraw/zinc/54/28/49/604542849.db2.gz FGINSYFLYKDAAF-OAHLLOKOSA-N -1 0 349.228 3.813 20 0 EHADRM C[C@H](NC(=O)NCCc1cccc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC000391568876 604556735 /nfs/dbraw/zinc/55/67/35/604556735.db2.gz KMCWBIMUDJVBOX-LBPRGKRZSA-N -1 0 346.814 3.641 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2cccc3ncccc32)oc1C(=O)[O-] ZINC000832876715 604560819 /nfs/dbraw/zinc/56/08/19/604560819.db2.gz USPKHZUKYFPPRP-NSHDSACASA-N -1 0 325.320 3.752 20 0 EHADRM C[C@H](C(=O)N1CCC[C@@H]1CC(=O)[O-])c1c(Cl)cccc1Cl ZINC000653646628 604561536 /nfs/dbraw/zinc/56/15/36/604561536.db2.gz JZOPNAZDTYOPHU-VHSXEESVSA-N -1 0 330.211 3.563 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000262885764 604564115 /nfs/dbraw/zinc/56/41/15/604564115.db2.gz HKLGXASVOQVBAF-NSHDSACASA-N -1 0 333.771 3.679 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000262942434 604571596 /nfs/dbraw/zinc/57/15/96/604571596.db2.gz MFVFBWFLRSTION-DRZSPHRISA-N -1 0 342.222 3.563 20 0 EHADRM C[C@H]1CC[C@H](CCC(=O)Nc2cccc(SCCC(=O)[O-])c2)O1 ZINC000833604223 604574406 /nfs/dbraw/zinc/57/44/06/604574406.db2.gz RNSHVLABXBFUSU-GXTWGEPZSA-N -1 0 337.441 3.540 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)c1cccc(Oc2ccccc2)c1 ZINC000263005743 604576493 /nfs/dbraw/zinc/57/64/93/604576493.db2.gz RPDNCRBKZLEYQJ-HNNXBMFYSA-N -1 0 325.364 3.558 20 0 EHADRM Cc1cc([C@H](C)OC(=O)Cc2ccccc2OC(C)C)oc1C(=O)[O-] ZINC000832872612 604577377 /nfs/dbraw/zinc/57/73/77/604577377.db2.gz RPLMHXFBKDBTDS-ZDUSSCGKSA-N -1 0 346.379 3.920 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)CC1CCC(c2ccccc2)CC1 ZINC000262833829 604580945 /nfs/dbraw/zinc/58/09/45/604580945.db2.gz BNYDZUHYFVSERL-VJFUWPCTSA-N -1 0 329.440 3.816 20 0 EHADRM CC(C)[C@H](C(=O)NCCc1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000833465758 604586139 /nfs/dbraw/zinc/58/61/39/604586139.db2.gz NCFVMGGKYQJJOZ-SFHVURJKSA-N -1 0 343.398 3.622 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000261918003 604594119 /nfs/dbraw/zinc/59/41/19/604594119.db2.gz RDAVIWYJIXGJJG-HNNXBMFYSA-N -1 0 325.364 3.558 20 0 EHADRM CC1=C(C(=O)OCc2c3ccccc3sc2C(=O)[O-])CCCO1 ZINC000833578062 604595320 /nfs/dbraw/zinc/59/53/20/604595320.db2.gz DWIGPSZQKGQFRI-UHFFFAOYSA-N -1 0 332.377 3.727 20 0 EHADRM C[C@@H](C(=O)Oc1cc2ccccc2cc1C(=O)[O-])C1CCOCC1 ZINC000833409289 604604107 /nfs/dbraw/zinc/60/41/07/604604107.db2.gz KTSGUDKLURSBPX-GFCCVEGCSA-N -1 0 328.364 3.506 20 0 EHADRM CCOc1ccc(C2=CCN(C(=O)CC(C)(C)CC(=O)[O-])CC2)cc1 ZINC000833664141 604613324 /nfs/dbraw/zinc/61/33/24/604613324.db2.gz PENRYBXBCMHHGZ-UHFFFAOYSA-N -1 0 345.439 3.592 20 0 EHADRM CCCOc1ccc(NC(=O)N2CCC[C@@H]2CC(=O)[O-])cc1Cl ZINC000829532503 604622489 /nfs/dbraw/zinc/62/24/89/604622489.db2.gz OJTSMVWJILIKME-GFCCVEGCSA-N -1 0 340.807 3.600 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000827033768 604629851 /nfs/dbraw/zinc/62/98/51/604629851.db2.gz RBYWBZGPNINSCE-LLVKDONJSA-N -1 0 340.807 3.598 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])Cc1nc(C)c2ccccc2n1 ZINC000581895574 604649776 /nfs/dbraw/zinc/64/97/76/604649776.db2.gz JOZJEGRODIZQLB-IBGZPJMESA-N -1 0 349.434 3.976 20 0 EHADRM O=C([O-])Nc1ccccc1OCc1nc(-c2ccc(F)c(F)c2)no1 ZINC000833287466 604649994 /nfs/dbraw/zinc/64/99/94/604649994.db2.gz ITTQOGPWNKHUAL-UHFFFAOYSA-N -1 0 347.277 3.684 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(Cc1cc(C(F)(F)F)ccc1F)CC2 ZINC000833771480 604650056 /nfs/dbraw/zinc/65/00/56/604650056.db2.gz GUDIKADDHZKWRT-LBPRGKRZSA-N -1 0 331.309 3.531 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000832917807 604653003 /nfs/dbraw/zinc/65/30/03/604653003.db2.gz ZPHHEIHUZUJSPZ-HNNXBMFYSA-N -1 0 346.427 3.697 20 0 EHADRM CCc1ccccc1C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000193168829 604653253 /nfs/dbraw/zinc/65/32/53/604653253.db2.gz ZSZHLMNBZDSNFO-UHFFFAOYSA-N -1 0 327.380 3.987 20 0 EHADRM Cc1cc(CNc2ccc3ncsc3c2)cc(C)c1OCC(=O)[O-] ZINC000832884819 604654220 /nfs/dbraw/zinc/65/42/20/604654220.db2.gz GEBVQUUKAPYINZ-UHFFFAOYSA-N -1 0 342.420 3.989 20 0 EHADRM CC[C@H](NC(=O)Nc1cccc(NC(=O)[O-])c1)c1c(C)noc1C ZINC000833642471 604657741 /nfs/dbraw/zinc/65/77/41/604657741.db2.gz AYSNTAGAPGCZQQ-ZDUSSCGKSA-N -1 0 332.360 3.654 20 0 EHADRM CCS[C@@H](C)c1noc(CNc2cccc3c2CCN3C(=O)[O-])n1 ZINC000827495778 604661657 /nfs/dbraw/zinc/66/16/57/604661657.db2.gz MQNKFYWFLGSBED-JTQLQIEISA-N -1 0 348.428 3.536 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccc2ccccc2c1 ZINC000827653505 604672690 /nfs/dbraw/zinc/67/26/90/604672690.db2.gz PDTAJDBZLVRGPT-SUMWQHHRSA-N -1 0 326.396 3.550 20 0 EHADRM CN(CCOC(C)(C)C)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000830789579 604677687 /nfs/dbraw/zinc/67/76/87/604677687.db2.gz OIVFTCKKTUDSCS-UHFFFAOYSA-N -1 0 348.468 3.755 20 0 EHADRM O=C([O-])c1cccc(CC(=O)NCc2c(Cl)cccc2Cl)c1 ZINC000833765545 604681853 /nfs/dbraw/zinc/68/18/53/604681853.db2.gz CZQAOFYHGAOJSI-UHFFFAOYSA-N -1 0 338.190 3.551 20 0 EHADRM CCc1cc(C)c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(SC)cc2)o1 ZINC000237126990 604685991 /nfs/dbraw/zinc/68/59/91/604685991.db2.gz XHJBPIBTROLOCV-HNNXBMFYSA-N -1 0 347.436 3.818 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N(c1ncc(C(=O)[O-])s1)C1CC1 ZINC000832886622 604701536 /nfs/dbraw/zinc/70/15/36/604701536.db2.gz OTVHTHCJFSSYDL-UHFFFAOYSA-N -1 0 336.800 3.612 20 0 EHADRM CCc1cc(C)c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)o1 ZINC000345904993 604702577 /nfs/dbraw/zinc/70/25/77/604702577.db2.gz KWSZJCPJFJRRRE-AWEZNQCLSA-N -1 0 335.787 3.750 20 0 EHADRM CCS[C@@H](C)c1noc(COc2ccc(C(=O)[O-])cc2Cl)n1 ZINC000830151102 604708199 /nfs/dbraw/zinc/70/81/99/604708199.db2.gz UPHZAFISXYNCLH-QMMMGPOBSA-N -1 0 342.804 3.814 20 0 EHADRM CC(C)(CNC(=O)CCc1ccccc1C(=O)[O-])c1ccccc1F ZINC000262054328 604736022 /nfs/dbraw/zinc/73/60/22/604736022.db2.gz ARMKYHWFPQKXLL-UHFFFAOYSA-N -1 0 343.398 3.551 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000832851033 604737343 /nfs/dbraw/zinc/73/73/43/604737343.db2.gz COHNAMDIJUUJCO-UHFFFAOYSA-N -1 0 344.392 3.776 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000357444876 604744286 /nfs/dbraw/zinc/74/42/86/604744286.db2.gz YRFJRXWQCDYLTF-VXGBXAGGSA-N -1 0 327.355 3.672 20 0 EHADRM O=C([O-])CCSc1nnc(Cc2ccccc2)n1C1CCCCC1 ZINC000075340350 604751355 /nfs/dbraw/zinc/75/13/55/604751355.db2.gz INQMZUJLTASJDE-UHFFFAOYSA-N -1 0 345.468 3.941 20 0 EHADRM C[C@@H](NC(=O)NCCCC(=O)[O-])c1ccc(-c2ccc(F)cc2)cc1 ZINC000414645305 604754459 /nfs/dbraw/zinc/75/44/59/604754459.db2.gz PVNPLSPRONFNQY-CYBMUJFWSA-N -1 0 344.386 3.718 20 0 EHADRM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC000263304167 604762461 /nfs/dbraw/zinc/76/24/61/604762461.db2.gz VJBIZLDYELSLMN-SCLBCKFNSA-N -1 0 341.382 3.676 20 0 EHADRM COc1cc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])ccc1Cl ZINC000190859272 604768177 /nfs/dbraw/zinc/76/81/77/604768177.db2.gz ZIQPQYOVRAFDQY-BZNIZROVSA-N -1 0 347.798 3.540 20 0 EHADRM O=C([O-])c1occc1CNc1cccc(COCc2ccco2)c1 ZINC000833785150 604776792 /nfs/dbraw/zinc/77/67/92/604776792.db2.gz GFEPKAPGDOPYNP-UHFFFAOYSA-N -1 0 327.336 3.900 20 0 EHADRM C[C@H]1CC/C(=C\C(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)C1 ZINC000828201299 604790237 /nfs/dbraw/zinc/79/02/37/604790237.db2.gz QSICEWLZTRWGOU-YEQVNJDRSA-N -1 0 342.439 3.534 20 0 EHADRM CC(C)(C)OC(=O)c1ccc(C(=O)Nc2ccsc2C(=O)[O-])cc1 ZINC000833444606 604795683 /nfs/dbraw/zinc/79/56/83/604795683.db2.gz GLIOWJOVFCKIAK-UHFFFAOYSA-N -1 0 347.392 3.654 20 0 EHADRM O=C([O-])c1cc(NC(=O)Cc2cc(F)c(F)cc2F)ccc1Cl ZINC000833116727 604808746 /nfs/dbraw/zinc/80/87/46/604808746.db2.gz BXXATTAPYKJULO-UHFFFAOYSA-N -1 0 343.688 3.637 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CCc3c2cccc3Cl)cc1F ZINC000833131094 604815568 /nfs/dbraw/zinc/81/55/68/604815568.db2.gz MXJFDEVRMADNCU-OAHLLOKOSA-N -1 0 333.746 3.595 20 0 EHADRM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828185577 604823938 /nfs/dbraw/zinc/82/39/38/604823938.db2.gz YZRVHGPCCFUDHV-RISCZKNCSA-N -1 0 345.345 3.681 20 0 EHADRM Cc1cc(NC(=O)[C@H](C)CSCc2ccccc2)c(C(=O)[O-])[nH]1 ZINC000832892759 604824592 /nfs/dbraw/zinc/82/45/92/604824592.db2.gz DJRYAGGMBBEXGW-LLVKDONJSA-N -1 0 332.425 3.529 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)COC2(C)CCC2)s1 ZINC000828115940 604826528 /nfs/dbraw/zinc/82/65/28/604826528.db2.gz PHQVLPSZRWBNNK-UHFFFAOYSA-N -1 0 325.430 3.642 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(Nc2ncnc3ccc(F)cc32)cc1 ZINC000833418745 604828919 /nfs/dbraw/zinc/82/89/19/604828919.db2.gz MZSPTGNKKJNTBJ-UHFFFAOYSA-N -1 0 325.343 3.875 20 0 EHADRM O=C([O-])c1sc2ccccc2c1COC(=O)Cc1ccc(O)cc1 ZINC000833117469 604835737 /nfs/dbraw/zinc/83/57/37/604835737.db2.gz MZNXQULNQJZWMV-UHFFFAOYSA-N -1 0 342.372 3.591 20 0 EHADRM CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)CCc1ccccc1C(=O)[O-] ZINC000833468710 604836157 /nfs/dbraw/zinc/83/61/57/604836157.db2.gz JSIGZSUOUPIYSD-GFCCVEGCSA-N -1 0 345.361 3.753 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)OCc1noc(C2CCCCC2)n1 ZINC000833287145 604839676 /nfs/dbraw/zinc/83/96/76/604839676.db2.gz BOEHLKNLZHBGQD-UHFFFAOYSA-N -1 0 345.355 3.564 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2ccc(SC(F)F)nc2)cc1 ZINC000833282489 604840820 /nfs/dbraw/zinc/84/08/20/604840820.db2.gz CVYYBESOEARIKN-UHFFFAOYSA-N -1 0 339.323 3.739 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)cc1F ZINC000237623106 604846508 /nfs/dbraw/zinc/84/65/08/604846508.db2.gz LJRXKBDFZDENNK-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM Cc1ccccc1CCC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000237722318 604847155 /nfs/dbraw/zinc/84/71/55/604847155.db2.gz PLNAWNNAVQAVAS-UHFFFAOYSA-N -1 0 347.798 3.683 20 0 EHADRM CCCCS[C@H](C)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000262189874 604851173 /nfs/dbraw/zinc/85/11/73/604851173.db2.gz PSEMSMWWLTUIOK-SNVBAGLBSA-N -1 0 345.848 3.664 20 0 EHADRM O=C([O-])c1ccc(C(=O)OCc2cccc(C(F)(F)F)c2)cc1F ZINC000833353708 604851360 /nfs/dbraw/zinc/85/13/60/604851360.db2.gz WYYSFZKQGOARHA-UHFFFAOYSA-N -1 0 342.244 3.900 20 0 EHADRM Cc1cc(C)cc(CCC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000190497909 604857486 /nfs/dbraw/zinc/85/74/86/604857486.db2.gz BSBUTWDHAJWQFW-SFHVURJKSA-N -1 0 343.398 3.707 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)[C@H]1CCCc2sccc21)c1ccccc1 ZINC000325875020 604861726 /nfs/dbraw/zinc/86/17/26/604861726.db2.gz MPHWIRQITIXMBP-JKSUJKDBSA-N -1 0 343.448 3.890 20 0 EHADRM Cc1ccc(Cl)c(NC(=O)N2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)c1 ZINC000830324847 604864256 /nfs/dbraw/zinc/86/42/56/604864256.db2.gz VNOUFOHULUURSR-VXGBXAGGSA-N -1 0 339.823 3.548 20 0 EHADRM CCc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)s1 ZINC000181905016 604869691 /nfs/dbraw/zinc/86/96/91/604869691.db2.gz NUSJSKFTJRAAPR-ZDUSSCGKSA-N -1 0 341.791 3.659 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1 ZINC000833461697 604875766 /nfs/dbraw/zinc/87/57/66/604875766.db2.gz HEQUMDPDXUUFTH-UHFFFAOYSA-N -1 0 344.436 3.926 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)Nc2cccc3cccnc32)C1 ZINC000326846353 604876278 /nfs/dbraw/zinc/87/62/78/604876278.db2.gz CQBRXXTYHCMAMC-CQSZACIVSA-N -1 0 341.411 3.590 20 0 EHADRM CSC[C@H](C)C(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000833737808 604882909 /nfs/dbraw/zinc/88/29/09/604882909.db2.gz GIFZUYURLVVAPH-KWQFWETISA-N -1 0 336.331 3.531 20 0 EHADRM O=C([O-])C[C@H](NC(=O)/C=C/Sc1ccccc1)c1ccccc1 ZINC000833199766 604884511 /nfs/dbraw/zinc/88/45/11/604884511.db2.gz XUIFHSHZMAGJCY-PCUGXKRQSA-N -1 0 327.405 3.625 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)C1 ZINC000325352691 604885437 /nfs/dbraw/zinc/88/54/37/604885437.db2.gz LHCBAHKUMSGIHL-YYIAUSFCSA-N -1 0 335.488 3.942 20 0 EHADRM CCCCc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000324107696 604885406 /nfs/dbraw/zinc/88/54/06/604885406.db2.gz MUMUTSFSGBMEJS-SFHVURJKSA-N -1 0 325.408 3.975 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000327313680 604886611 /nfs/dbraw/zinc/88/66/11/604886611.db2.gz WJYDCMUZHLRFAT-HNNXBMFYSA-N -1 0 341.338 3.826 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)/C=C\c2ccc(Cl)s2)C1 ZINC000317087148 604886835 /nfs/dbraw/zinc/88/68/35/604886835.db2.gz AHMMLWKELGKODE-BPOWMSRESA-N -1 0 341.860 3.764 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCSc1ccccc1F)c1ccccc1 ZINC000238209068 604887041 /nfs/dbraw/zinc/88/70/41/604887041.db2.gz NYDVHYUFFPOVDU-HNNXBMFYSA-N -1 0 347.411 3.640 20 0 EHADRM C[C@]1(NC(=O)Cc2ccc(Cl)c(Cl)c2)CCCC[C@@H]1C(=O)[O-] ZINC000262850941 604888295 /nfs/dbraw/zinc/88/82/95/604888295.db2.gz SHCCRZWBQROISH-BZNIZROVSA-N -1 0 344.238 3.686 20 0 EHADRM C[C@@]1(NC(=O)c2cccc(Cl)c2Cl)CCCC[C@@H]1C(=O)[O-] ZINC000262821091 604889962 /nfs/dbraw/zinc/88/99/62/604889962.db2.gz PNJYSMHYVYFRRG-MEBBXXQBSA-N -1 0 330.211 3.757 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@]2(C)CCCc3ccccc32)C1 ZINC000679103553 604890678 /nfs/dbraw/zinc/89/06/78/604890678.db2.gz WRXDEDAIQBBKCW-IERDGZPVSA-N -1 0 343.467 3.630 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1cccc(F)c1 ZINC000679104918 604892073 /nfs/dbraw/zinc/89/20/73/604892073.db2.gz FMRPMVAIPPQQSX-HIFRSBDPSA-N -1 0 335.419 3.669 20 0 EHADRM C[C@@H](C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccc(Cl)s1 ZINC000683323586 604893612 /nfs/dbraw/zinc/89/36/12/604893612.db2.gz AITIVLGNMBTAEW-GHMZBOCLSA-N -1 0 343.876 3.854 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)NCCc2cc3ccccc3[nH]2)c1 ZINC000833287785 604894352 /nfs/dbraw/zinc/89/43/52/604894352.db2.gz HMNMQENWCNESAS-UHFFFAOYSA-N -1 0 338.367 3.622 20 0 EHADRM CCCCN(C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)C1CC1 ZINC000829373054 604913391 /nfs/dbraw/zinc/91/33/91/604913391.db2.gz DBQDWALSMNKJLM-UHFFFAOYSA-N -1 0 340.807 3.600 20 0 EHADRM CCCCC[C@@H](C)NC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000829311824 604915604 /nfs/dbraw/zinc/91/56/04/604915604.db2.gz MLRABLVHDVESDD-LLVKDONJSA-N -1 0 342.823 3.894 20 0 EHADRM CC(C)CN(C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)C1CCCC1 ZINC000833485520 604923230 /nfs/dbraw/zinc/92/32/30/604923230.db2.gz VYIXGGSNIREHHV-UHFFFAOYSA-N -1 0 344.415 3.694 20 0 EHADRM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000827934783 604923752 /nfs/dbraw/zinc/92/37/52/604923752.db2.gz JMELVZGFAHFSDI-VIFPVBQESA-N -1 0 337.297 3.635 20 0 EHADRM CCC(CC)c1nnc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)s1 ZINC000828870627 604926332 /nfs/dbraw/zinc/92/63/32/604926332.db2.gz SLYABVNVWSBLQR-UHFFFAOYSA-N -1 0 337.376 3.531 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCCc2ccc3ccccc3c2)cc1F ZINC000833145503 604931847 /nfs/dbraw/zinc/93/18/47/604931847.db2.gz JEHSPBBOQGLNFE-UHFFFAOYSA-N -1 0 337.350 3.650 20 0 EHADRM Cc1ccc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)cc1F ZINC000237844781 604935252 /nfs/dbraw/zinc/93/52/52/604935252.db2.gz VVYBWYYIJRFHLC-UHFFFAOYSA-N -1 0 329.371 3.641 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)cc1F ZINC000833309259 604946210 /nfs/dbraw/zinc/94/62/10/604946210.db2.gz BWYWWUMIKNNHRJ-OAHLLOKOSA-N -1 0 345.345 3.510 20 0 EHADRM C[C@@]1(NC(=O)c2cccc(-c3ccoc3)c2)CCCC[C@@H]1C(=O)[O-] ZINC000262745595 604956969 /nfs/dbraw/zinc/95/69/69/604956969.db2.gz IWCCBCLGMMDLJR-VQIMIIECSA-N -1 0 327.380 3.710 20 0 EHADRM C[C@@]1(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)CCCC[C@H]1C(=O)[O-] ZINC000263517601 604958958 /nfs/dbraw/zinc/95/89/58/604958958.db2.gz FNELDHXGCJVMTM-KBXCAEBGSA-N -1 0 348.830 3.514 20 0 EHADRM C[C@]1(NC(=O)c2cc(C(F)(F)F)ccc2F)CCCC[C@H]1C(=O)[O-] ZINC000833567527 604969040 /nfs/dbraw/zinc/96/90/40/604969040.db2.gz NPJUKVXBHUPJKH-NHYWBVRUSA-N -1 0 347.308 3.608 20 0 EHADRM Cc1ccc([C@@H](C)N(C)C(=O)Nc2nc(CCC(=O)[O-])cs2)cc1 ZINC000832920539 604969642 /nfs/dbraw/zinc/96/96/42/604969642.db2.gz DVCOLXNLIDHWMW-GFCCVEGCSA-N -1 0 347.440 3.694 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)Nc2nc(CCC(=O)[O-])cs2)cc1 ZINC000832920541 604969655 /nfs/dbraw/zinc/96/96/55/604969655.db2.gz DVCOLXNLIDHWMW-LBPRGKRZSA-N -1 0 347.440 3.694 20 0 EHADRM C[C@H](CC(=O)N1C[C@H](C)[C@@H]1c1ccccc1)C1CCN(C(=O)[O-])CC1 ZINC000824565046 604969901 /nfs/dbraw/zinc/96/99/01/604969901.db2.gz LAWLUOWUAXIVCE-ZRGWGRIASA-N -1 0 344.455 3.622 20 0 EHADRM CC[C@@H](NC(=O)Nc1nc(CCC(=O)[O-])cs1)C1CCCCC1 ZINC000828958055 604991500 /nfs/dbraw/zinc/99/15/00/604991500.db2.gz REWDMWOKHVTBBR-CYBMUJFWSA-N -1 0 339.461 3.641 20 0 EHADRM CCCC[C@@H](NC(=O)Nc1nc(CCC(=O)[O-])cs1)C1CCC1 ZINC000829296130 604993552 /nfs/dbraw/zinc/99/35/52/604993552.db2.gz OMDCBABKRASGAQ-CYBMUJFWSA-N -1 0 339.461 3.641 20 0 EHADRM CCc1nc(NC(=O)c2oc3ccccc3c2C)sc1C(=O)[O-] ZINC000833675299 604995488 /nfs/dbraw/zinc/99/54/88/604995488.db2.gz LQQUBUJJQKEDQY-UHFFFAOYSA-N -1 0 330.365 3.711 20 0 EHADRM CC(C)(C)OC(=O)NC[C@@H](NC(=O)[O-])c1ccc2ccccc2c1 ZINC000833437606 604995976 /nfs/dbraw/zinc/99/59/76/604995976.db2.gz CSRFUYQXRBVTNS-OAHLLOKOSA-N -1 0 330.384 3.673 20 0 EHADRM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)c1cncc(C(=O)[O-])c1 ZINC000630121951 605030785 /nfs/dbraw/zinc/03/07/85/605030785.db2.gz VJXCBTRJODSCGR-CQSZACIVSA-N -1 0 338.407 3.783 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)[C@@H](C)c1c(F)cccc1F ZINC000833680530 605036502 /nfs/dbraw/zinc/03/65/02/605036502.db2.gz KSRCSHCASSVKOW-VIFPVBQESA-N -1 0 338.306 3.665 20 0 EHADRM CC(C)n1cccc1C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000833513528 605041284 /nfs/dbraw/zinc/04/12/84/605041284.db2.gz NKFADYNQRWRYOG-UHFFFAOYSA-N -1 0 342.420 3.912 20 0 EHADRM CC(C)c1cc(C(=O)Nc2cccc(SCCC(=O)[O-])c2)no1 ZINC000833509243 605047540 /nfs/dbraw/zinc/04/75/40/605047540.db2.gz HPVKKQJADBNFOA-UHFFFAOYSA-N -1 0 334.397 3.617 20 0 EHADRM CC(C)Oc1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1Cl ZINC000027056675 605065916 /nfs/dbraw/zinc/06/59/16/605065916.db2.gz JJVGSYMOWDSRTK-UHFFFAOYSA-N -1 0 327.808 3.957 20 0 EHADRM CC(C)Cc1ccc([C@@H](C)NC(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000194383266 605079824 /nfs/dbraw/zinc/07/98/24/605079824.db2.gz VAIDLSYOOXOEMS-RWBZWWBESA-N -1 0 331.456 3.953 20 0 EHADRM C[C@@H](CC(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC000191520059 605083502 /nfs/dbraw/zinc/08/35/02/605083502.db2.gz SIORLNGAZRXZBX-QFBILLFUSA-N -1 0 339.435 3.773 20 0 EHADRM C[C@@H](CC(=O)N[C@H](C(=O)[O-])C1CCCCC1)c1ccc(F)cc1F ZINC000833514115 605085396 /nfs/dbraw/zinc/08/53/96/605085396.db2.gz OABMOUDFHOOAJU-GTNSWQLSSA-N -1 0 339.382 3.608 20 0 EHADRM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)C2CCC(C(=O)[O-])CC2)C1 ZINC000192968601 605087629 /nfs/dbraw/zinc/08/76/29/605087629.db2.gz QSWACRQFGIFCGJ-QROZZAMVSA-N -1 0 333.403 3.626 20 0 EHADRM CC(C)COc1ccc([C@H](C)NC(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000194434943 605089553 /nfs/dbraw/zinc/08/95/53/605089553.db2.gz LJKQRBNZVHOVJS-OOHWJJMZSA-N -1 0 347.455 3.790 20 0 EHADRM C[C@@H]1CC[C@@H](NC(=O)Nc2nc(CC(=O)[O-])cs2)c2ccccc21 ZINC000833602593 605091996 /nfs/dbraw/zinc/09/19/96/605091996.db2.gz FWDVSYJCFVPVQT-QMTHXVAHSA-N -1 0 345.424 3.530 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)C2CCC(C(=O)[O-])CC2)c2ccccc21 ZINC000194405615 605106359 /nfs/dbraw/zinc/10/63/59/605106359.db2.gz JGQTVELTKUJPEL-MQBCKMQZSA-N -1 0 329.440 3.806 20 0 EHADRM CC(C)(C)OCc1cccc(CNC(=O)C2CCC(C(=O)[O-])CC2)c1 ZINC000194407961 605107531 /nfs/dbraw/zinc/10/75/31/605107531.db2.gz WUFOTHZTYJUDGB-UHFFFAOYSA-N -1 0 347.455 3.509 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)c2cccc(OCC(=O)[O-])c2)c2ccccc21 ZINC000262885221 605108061 /nfs/dbraw/zinc/10/80/61/605108061.db2.gz YGYDCXUQGGGFBX-ACJLOTCBSA-N -1 0 339.391 3.518 20 0 EHADRM CC(C)N(Cc1cccc(Cl)c1)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000194392496 605108990 /nfs/dbraw/zinc/10/89/90/605108990.db2.gz CTXJQWABVZHAJA-UHFFFAOYSA-N -1 0 337.847 3.968 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000236815321 605113594 /nfs/dbraw/zinc/11/35/94/605113594.db2.gz RZDISBZXOWPGRI-UHFFFAOYSA-N -1 0 328.368 3.703 20 0 EHADRM C[C@H]1CCCCN1C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000050208689 605130266 /nfs/dbraw/zinc/13/02/66/605130266.db2.gz SLTMFFWSIHYKQC-VIFPVBQESA-N -1 0 341.205 3.554 20 0 EHADRM CC(C)C[C@H](C)NC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000132498569 605130383 /nfs/dbraw/zinc/13/03/83/605130383.db2.gz YKMMSQIJTWLFAB-VIFPVBQESA-N -1 0 343.221 3.703 20 0 EHADRM CC1(CC(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)CCCCC1 ZINC000833563104 605148405 /nfs/dbraw/zinc/14/84/05/605148405.db2.gz CWEZIXVNGRTPAO-OAHLLOKOSA-N -1 0 325.355 3.567 20 0 EHADRM C[C@H](C(=O)Nc1cccc(C(=O)[O-])c1)c1ccc(Br)cc1 ZINC000190875358 605148898 /nfs/dbraw/zinc/14/88/98/605148898.db2.gz WDVWEXXUCIMSHP-JTQLQIEISA-N -1 0 348.196 3.890 20 0 EHADRM CCC(CC)n1nc(C(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])cc1C ZINC000262998914 605152309 /nfs/dbraw/zinc/15/23/09/605152309.db2.gz UPYGRCLITJZXET-JKSUJKDBSA-N -1 0 349.475 3.706 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)c1cccc(F)c1F ZINC000833521960 605159101 /nfs/dbraw/zinc/15/91/01/605159101.db2.gz UYKPCERGEDDCBR-MRVPVSSYSA-N -1 0 338.285 3.685 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(NC(=O)[O-])cc2)c1C(C)C ZINC000833400532 605159288 /nfs/dbraw/zinc/15/92/88/605159288.db2.gz JMKIJFPBRAAWAI-UHFFFAOYSA-N -1 0 343.383 3.991 20 0 EHADRM COc1ccc(C2(C(=O)Nc3scc(C(=O)[O-])c3C)CCC2)cc1 ZINC000833731111 605160013 /nfs/dbraw/zinc/16/00/13/605160013.db2.gz RLPYMMAKLGDSCH-UHFFFAOYSA-N -1 0 345.420 3.824 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1C(C)C ZINC000431663656 605160921 /nfs/dbraw/zinc/16/09/21/605160921.db2.gz VGQBNXGWQVTOMG-UHFFFAOYSA-N -1 0 342.395 3.908 20 0 EHADRM CC(C)Cc1ccc([C@@H](C)C(=O)Nc2cncc(C(=O)[O-])c2)cc1 ZINC000833491901 605166869 /nfs/dbraw/zinc/16/68/69/605166869.db2.gz AFBVZUCXUIEIOE-CYBMUJFWSA-N -1 0 326.396 3.721 20 0 EHADRM O=C([O-])c1cncc(NC(=O)Cc2csc3ccc(Cl)cc23)c1 ZINC000833765462 605170268 /nfs/dbraw/zinc/17/02/68/605170268.db2.gz OYZSPKUCXWZXMU-UHFFFAOYSA-N -1 0 346.795 3.829 20 0 EHADRM CC(C)CCc1noc(CN[C@H](c2ccccc2)C(C)(C)C(=O)[O-])n1 ZINC000833483529 605178792 /nfs/dbraw/zinc/17/87/92/605178792.db2.gz ALIJNMPPEALSCF-QGZVFWFLSA-N -1 0 345.443 3.600 20 0 EHADRM CC(C)(CNc1cncc(C(=O)[O-])n1)c1c(Cl)cccc1Cl ZINC000833460200 605182452 /nfs/dbraw/zinc/18/24/52/605182452.db2.gz ZEBIRKGRBLRZRQ-UHFFFAOYSA-N -1 0 340.210 3.871 20 0 EHADRM C[C@@H](OC(=O)c1cccc([C@H]2CCCOC2)c1)c1ccc(C(=O)[O-])o1 ZINC000833535917 605212148 /nfs/dbraw/zinc/21/21/48/605212148.db2.gz UQWNSYBFFXEHBE-DOMZBBRYSA-N -1 0 344.363 3.790 20 0 EHADRM C[C@H](CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-])c1cccc(F)c1 ZINC000833512840 605227042 /nfs/dbraw/zinc/22/70/42/605227042.db2.gz AKBBCGVYAFUOHQ-CABCVRRESA-N -1 0 343.398 3.821 20 0 EHADRM O=C([O-])N1CCC(Nc2cccc(NC(=O)c3cccs3)c2)CC1 ZINC000831785455 605238275 /nfs/dbraw/zinc/23/82/75/605238275.db2.gz QMMJIKHNSBEQKU-UHFFFAOYSA-N -1 0 345.424 3.555 20 0 EHADRM O=C([O-])N1CCc2cccc(CNc3ccc(N4CCCC4)cc3)c21 ZINC000832086225 605238557 /nfs/dbraw/zinc/23/85/57/605238557.db2.gz CDCFTAMKOKCDNI-UHFFFAOYSA-N -1 0 337.423 3.939 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000431462944 605240678 /nfs/dbraw/zinc/24/06/78/605240678.db2.gz FAIUORPDTLURKV-MAUKXSAKSA-N -1 0 325.408 3.588 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc(C(=O)[O-])nc2)cc1 ZINC000833492969 605250591 /nfs/dbraw/zinc/25/05/91/605250591.db2.gz HXUQKJCIAPFUON-ZDUSSCGKSA-N -1 0 326.396 3.721 20 0 EHADRM CC(C)[C@@H](SCc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC000833469701 605253690 /nfs/dbraw/zinc/25/36/90/605253690.db2.gz BWNCEHIYEBWXNF-MRXNPFEDSA-N -1 0 344.436 3.676 20 0 EHADRM C[C@H](Nc1ccc(NC(=O)[O-])c(F)c1)C(=O)N[C@@H](C)c1ccccc1 ZINC000833527353 605263613 /nfs/dbraw/zinc/26/36/13/605263613.db2.gz YCAONPDEUIZQCW-RYUDHWBXSA-N -1 0 345.374 3.593 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NC1(c2ccc(F)cc2F)CCCC1 ZINC000630299585 605265848 /nfs/dbraw/zinc/26/58/48/605265848.db2.gz MDPRTQVRBNNXDC-UHFFFAOYSA-N -1 0 339.382 3.741 20 0 EHADRM C[C@@H](Nc1ccc(OCCC(=O)[O-])cc1)c1nc2ccccc2o1 ZINC000833525098 605289992 /nfs/dbraw/zinc/28/99/92/605289992.db2.gz MPZACYMBVLLOSU-GFCCVEGCSA-N -1 0 326.352 3.854 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@@H](F)Cc2ccccc2)cc1 ZINC000833419220 605292782 /nfs/dbraw/zinc/29/27/82/605292782.db2.gz OXBAGYNPKWVLSI-INIZCTEOSA-N -1 0 329.371 3.568 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)NCc2ccc(C(F)(F)F)cc2)c1 ZINC000740030976 605305932 /nfs/dbraw/zinc/30/59/32/605305932.db2.gz MTHUFVWGUMRXFA-UHFFFAOYSA-N -1 0 338.285 3.725 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)N[C@@H](CC(=O)[O-])c2ccc(C(F)(F)F)cc2)C1 ZINC000833600932 605309488 /nfs/dbraw/zinc/30/94/88/605309488.db2.gz IAGHLYPOVDXKPE-OSMZGAPFSA-N -1 0 343.345 3.774 20 0 EHADRM C[C@H]1CCC[C@H]1C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000833610431 605344387 /nfs/dbraw/zinc/34/43/87/605344387.db2.gz WHUVOQPISJOXIB-GXSJLCMTSA-N -1 0 345.317 3.701 20 0 EHADRM CC[C@H]1CN(C(=O)c2ccc(-c3ccco3)s2)CC[C@@H]1NC(=O)[O-] ZINC000833852107 605362668 /nfs/dbraw/zinc/36/26/68/605362668.db2.gz XJARNJHWMLEWMX-RYUDHWBXSA-N -1 0 348.424 3.516 20 0 EHADRM CC(C)C[C@H](NC(=O)N1CC[C@@H](NC(=O)[O-])C[C@H]1C)c1ccccc1 ZINC000824203706 605370540 /nfs/dbraw/zinc/37/05/40/605370540.db2.gz KXYJDCOPKOWCAK-OIISXLGYSA-N -1 0 347.459 3.604 20 0 EHADRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)N[C@H](c1ccccc1)C(C)(C)C ZINC000825816795 605377205 /nfs/dbraw/zinc/37/72/05/605377205.db2.gz LYAMUOZYHSHSLC-FVQBIDKESA-N -1 0 347.459 3.604 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)[C@H]1CCCc2sccc21 ZINC000831793935 605377412 /nfs/dbraw/zinc/37/74/12/605377412.db2.gz RZZXHRQHDOHGCD-LBPRGKRZSA-N -1 0 342.420 3.847 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N2CCc3c(F)cccc3C2)c1 ZINC000834262165 605380021 /nfs/dbraw/zinc/38/00/21/605380021.db2.gz RTIRDKATAFWZHS-UHFFFAOYSA-N -1 0 347.321 3.645 20 0 EHADRM C[C@H](c1cccc(O)c1)N(C)C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000825630235 605398042 /nfs/dbraw/zinc/39/80/42/605398042.db2.gz OXCYKVCVSXNFAO-SNVBAGLBSA-N -1 0 348.786 3.969 20 0 EHADRM O=C([O-])C1(CNC(=O)Cc2csc3ccccc23)CCCCC1 ZINC000262721700 605467030 /nfs/dbraw/zinc/46/70/30/605467030.db2.gz FGGVQGJTFQXYMK-UHFFFAOYSA-N -1 0 331.437 3.595 20 0 EHADRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000825832956 605475142 /nfs/dbraw/zinc/47/51/42/605475142.db2.gz WVDJGIRUQFKIRT-WPRPVWTQSA-N -1 0 346.214 3.646 20 0 EHADRM O=C([O-])C1CCC(NC(=O)N[C@H](CC2CCC2)c2ccccc2)CC1 ZINC000263284779 605502923 /nfs/dbraw/zinc/50/29/23/605502923.db2.gz UKDSMGWAYSLXFS-DAWZGUTISA-N -1 0 344.455 3.861 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000669434117 605506120 /nfs/dbraw/zinc/50/61/20/605506120.db2.gz JUZYIHJVRDGQSJ-MAUKXSAKSA-N -1 0 337.419 3.779 20 0 EHADRM Cc1nc([C@@H](C)NCc2ccc([C@H](C)NC(=O)[O-])cc2)c(C)s1 ZINC000830710163 605513168 /nfs/dbraw/zinc/51/31/68/605513168.db2.gz ZQFIDGGLIPOVCA-WDEREUQCSA-N -1 0 333.457 3.939 20 0 EHADRM CCCN(C(=O)N[C@@H](C)c1ccc(C)cc1)C1CCN(C(=O)[O-])CC1 ZINC000826865960 605570742 /nfs/dbraw/zinc/57/07/42/605570742.db2.gz CKIKRMJLACGJKR-HNNXBMFYSA-N -1 0 347.459 3.620 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN(C#N)c1ccc(OC)c(Cl)c1 ZINC000833678468 605597353 /nfs/dbraw/zinc/59/73/53/605597353.db2.gz NTSGYZCTGBVABD-UHFFFAOYSA-N -1 0 334.759 3.690 20 0 EHADRM CCN(C(=O)c1ccc(NC(=O)[O-])c(C)c1)c1cccc(OC)c1 ZINC000826983788 605604004 /nfs/dbraw/zinc/60/40/04/605604004.db2.gz ZMBXYGNRWHISIS-UHFFFAOYSA-N -1 0 328.368 3.760 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)CC(C)(C)C1 ZINC000262965669 605613948 /nfs/dbraw/zinc/61/39/48/605613948.db2.gz OXMXZYQCKFVCAQ-CZUORRHYSA-N -1 0 329.440 3.732 20 0 EHADRM CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000262806063 605625600 /nfs/dbraw/zinc/62/56/00/605625600.db2.gz SKJWFWHXWAGGBU-CHWSQXEVSA-N -1 0 329.396 3.924 20 0 EHADRM CCOc1cc(F)ccc1NC(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000827417855 605627520 /nfs/dbraw/zinc/62/75/20/605627520.db2.gz GUGDEBBYIVZSIK-UHFFFAOYSA-N -1 0 332.331 3.875 20 0 EHADRM Cc1nc(C(C)C)sc1[C@H](C)OC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000833912892 605667218 /nfs/dbraw/zinc/66/72/18/605667218.db2.gz QYUPQCITKNHZSL-SRVKXCTJSA-N -1 0 340.445 3.615 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000740041811 605701394 /nfs/dbraw/zinc/70/13/94/605701394.db2.gz VGLCPBXIFWKNET-CQSZACIVSA-N -1 0 342.370 3.620 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000833288363 605706151 /nfs/dbraw/zinc/70/61/51/605706151.db2.gz DFHFORQLLMTKOU-ZDUSSCGKSA-N -1 0 328.343 3.545 20 0 EHADRM Cc1cc(C(=O)N2CCCc3c(F)cccc32)ccc1NC(=O)[O-] ZINC000829930350 605706121 /nfs/dbraw/zinc/70/61/21/605706121.db2.gz PTIDCNKCUYRTLV-UHFFFAOYSA-N -1 0 328.343 3.817 20 0 EHADRM Cc1cc(C(=O)N2CCS[C@@H]3CCCC[C@@H]32)ccc1NC(=O)[O-] ZINC000829933638 605709499 /nfs/dbraw/zinc/70/94/99/605709499.db2.gz ACOFPEVECSMKLG-LSDHHAIUSA-N -1 0 334.441 3.585 20 0 EHADRM Cc1ccc(C(=O)N2C[C@@H](C(F)(F)F)CC[C@H]2C)cc1NC(=O)[O-] ZINC000833902965 605769532 /nfs/dbraw/zinc/76/95/32/605769532.db2.gz URNFNXXEFCHLLN-PWSUYJOCSA-N -1 0 344.333 3.888 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N(CCc2ccccc2)C2CC2)c1 ZINC000834263990 605769616 /nfs/dbraw/zinc/76/96/16/605769616.db2.gz HPHWLEDHHBAIIT-UHFFFAOYSA-N -1 0 338.407 3.553 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CC2(C1)CCCCC2)C(=O)[O-] ZINC000365334508 605775696 /nfs/dbraw/zinc/77/56/96/605775696.db2.gz QTQINFOHELIKNE-ZDUSSCGKSA-N -1 0 333.453 3.658 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2ccc(F)cc2NC2CC2)cc1 ZINC000832838557 605787059 /nfs/dbraw/zinc/78/70/59/605787059.db2.gz KESHPSNZWCCGCN-UHFFFAOYSA-N -1 0 329.331 3.742 20 0 EHADRM O=C([O-])N[C@@H]1C[C@@H](NCc2cc(-c3ccccc3)on2)c2ccccc21 ZINC000834159843 605798218 /nfs/dbraw/zinc/79/82/18/605798218.db2.gz YTXKNRDBKOGLTM-QZTJIDSGSA-N -1 0 349.390 3.885 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)[C@H]2CCSc3ccccc32)c(F)c1 ZINC000833775870 605804201 /nfs/dbraw/zinc/80/42/01/605804201.db2.gz ABBRMTFONGMXRJ-ZDUSSCGKSA-N -1 0 346.379 3.638 20 0 EHADRM O=C([O-])N[C@H]1C[C@@H](NCc2nc(C3CC3)cs2)c2ccccc21 ZINC000834158070 605805040 /nfs/dbraw/zinc/80/50/40/605805040.db2.gz LNXCHOZSRKVKJN-KGLIPLIRSA-N -1 0 329.425 3.564 20 0 EHADRM CC(C)c1nc(C(=O)OCc2cc(C(=O)[O-])ccc2Cl)cs1 ZINC000833511639 605813623 /nfs/dbraw/zinc/81/36/23/605813623.db2.gz AFNFGFVQDPPRAI-UHFFFAOYSA-N -1 0 339.800 3.975 20 0 EHADRM COc1ccc(CCCC(=O)OCc2cc(C(=O)[O-])ccc2F)cc1 ZINC000833732155 605813901 /nfs/dbraw/zinc/81/39/01/605813901.db2.gz VRBROOIVEJSZGH-UHFFFAOYSA-N -1 0 346.354 3.599 20 0 EHADRM CCCN(C(=O)c1cc(C)cc(Cl)c1)C1CCN(C(=O)[O-])CC1 ZINC000826879278 605821046 /nfs/dbraw/zinc/82/10/46/605821046.db2.gz KASYSMGITKXFAD-UHFFFAOYSA-N -1 0 338.835 3.643 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Oc2ccc3cncnc3c2)c(Cl)c1 ZINC000834255511 605822266 /nfs/dbraw/zinc/82/22/66/605822266.db2.gz JQGKKHCLMWGTLE-UHFFFAOYSA-N -1 0 343.726 3.592 20 0 EHADRM CN(Cc1cc(Cl)cn1C)Cc1cc(C(=O)[O-])ccc1Cl ZINC000833694997 605838496 /nfs/dbraw/zinc/83/84/96/605838496.db2.gz WIZJGDBSKADUIX-UHFFFAOYSA-N -1 0 327.211 3.662 20 0 EHADRM O=C([O-])N[C@@H](CC(F)F)C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000834134070 605999234 /nfs/dbraw/zinc/99/92/34/605999234.db2.gz FTEWOKHGUBYSRN-AWEZNQCLSA-N -1 0 334.322 3.584 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCCc1cccc(F)c1 ZINC000833906908 606010941 /nfs/dbraw/zinc/01/09/41/606010941.db2.gz RBDCTDQAAUQZCR-UHFFFAOYSA-N -1 0 331.347 3.588 20 0 EHADRM O=C([O-])N[C@@H](CC(F)F)C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000834133122 606013358 /nfs/dbraw/zinc/01/33/58/606013358.db2.gz IZIHHAFDJJYQQO-LBPRGKRZSA-N -1 0 348.305 3.816 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000834273133 606042846 /nfs/dbraw/zinc/04/28/46/606042846.db2.gz SYSDDCQOTMQGMX-IIAWOOMASA-N -1 0 330.428 3.794 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N(Cc1cccs1)C1CC1 ZINC000834270686 606044265 /nfs/dbraw/zinc/04/42/65/606044265.db2.gz LFAGOWNXJCAEIK-UHFFFAOYSA-N -1 0 330.409 3.572 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)Oc1ccc(N2CCCC2)cc1 ZINC000834276005 606094498 /nfs/dbraw/zinc/09/44/98/606094498.db2.gz UJSGHVNMZXFDAK-UHFFFAOYSA-N -1 0 340.379 3.525 20 0 EHADRM O=C([O-])N1CCc2cc(N[C@@H]3CC[C@@H]4SCCS[C@H]34)ccc21 ZINC000834121623 606103886 /nfs/dbraw/zinc/10/38/86/606103886.db2.gz BGQJSBKIVXTJJW-VHDGCEQUSA-N -1 0 336.482 3.519 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NCCOc2ccccc2C(C)C)c1 ZINC001600109506 970764720 /nfs/dbraw/zinc/76/47/20/970764720.db2.gz QWQXNEHXQHZNRM-UHFFFAOYSA-N -1 0 341.407 3.625 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc(F)cc(F)c1)c1ccc2ccccc2c1 ZINC000191474674 939036863 /nfs/dbraw/zinc/03/68/63/939036863.db2.gz OEFQILFLNWEWHW-QGZVFWFLSA-N -1 0 341.313 3.674 20 0 EHADRM C[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1)c1cccs1 ZINC000191491880 939038383 /nfs/dbraw/zinc/03/83/83/939038383.db2.gz HKUPEVOVZOMJAC-PXAZEXFGSA-N -1 0 339.416 3.947 20 0 EHADRM CCc1ccccc1C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000193169807 939042561 /nfs/dbraw/zinc/04/25/61/939042561.db2.gz DPABNPVKTGKTGR-HNNXBMFYSA-N -1 0 335.762 3.597 20 0 EHADRM CC(C)c1cccc(O[C@H](C)C(=O)N[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000236803845 939045049 /nfs/dbraw/zinc/04/50/49/939045049.db2.gz GXTMCADQVLIFEQ-RDTXWAMCSA-N -1 0 341.407 3.519 20 0 EHADRM COc1ccc2oc(C(=O)NC3(C(=O)[O-])CCCCCC3)c(C)c2c1 ZINC000237308677 939046209 /nfs/dbraw/zinc/04/62/09/939046209.db2.gz FCTRCMZDNUBGID-UHFFFAOYSA-N -1 0 345.395 3.657 20 0 EHADRM Cc1cccc([C@H](NC(=O)Nc2ccc(C)c(F)c2)C(=O)[O-])c1C ZINC000684745801 939048103 /nfs/dbraw/zinc/04/81/03/939048103.db2.gz RWFYWXMRFQOCRH-INIZCTEOSA-N -1 0 330.359 3.698 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000684746127 939048122 /nfs/dbraw/zinc/04/81/22/939048122.db2.gz UAPXAYHQTTZTJF-MRXNPFEDSA-N -1 0 346.358 3.560 20 0 EHADRM Cc1c2cccc(Cl)c2oc1C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000237838248 939051057 /nfs/dbraw/zinc/05/10/57/939051057.db2.gz XDJSIXXLLBLMHJ-AWEZNQCLSA-N -1 0 343.766 3.950 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21)c1ccccc1 ZINC000238006940 939054073 /nfs/dbraw/zinc/05/40/73/939054073.db2.gz REDMFYXIKZKPGR-AABGKKOBSA-N -1 0 345.398 3.885 20 0 EHADRM O=C([O-])[C@@H](NC(=O)/C=C\c1ccccc1F)c1ccc2ccccc2c1 ZINC000762207357 939071694 /nfs/dbraw/zinc/07/16/94/939071694.db2.gz QTCIAFMPSSPAGT-DUQGCJEPSA-N -1 0 349.361 3.934 20 0 EHADRM COc1ccc([C@@H](NC(=O)c2ccc(C(C)C)cc2)C(=O)[O-])cc1F ZINC000262898757 939084528 /nfs/dbraw/zinc/08/45/28/939084528.db2.gz CTLLOERFXVCUIV-QGZVFWFLSA-N -1 0 345.370 3.513 20 0 EHADRM CC[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1)c1ccccc1 ZINC000262936183 939087772 /nfs/dbraw/zinc/08/77/72/939087772.db2.gz GGYWXNIHGJEPIA-DOTOQJQBSA-N -1 0 329.371 3.570 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@H](C(=O)[O-])c1cccc(C)c1C ZINC000263118810 939101468 /nfs/dbraw/zinc/10/14/68/939101468.db2.gz SBQDJHVXMFNAPP-PMPSAXMXSA-N -1 0 343.448 3.719 20 0 EHADRM Cc1cc(/C=C\C(=O)NC2(C(=O)[O-])CCC2)c(C)n1C1CCCCC1 ZINC000776656137 939101603 /nfs/dbraw/zinc/10/16/03/939101603.db2.gz WAWFGKKFNQMRIV-KTKRTIGZSA-N -1 0 344.455 3.747 20 0 EHADRM CCCc1sc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1CC ZINC000320734387 939123991 /nfs/dbraw/zinc/12/39/91/939123991.db2.gz XXNAYLJCWKNUOO-INIZCTEOSA-N -1 0 331.437 3.819 20 0 EHADRM C[C@](NC(=O)Nc1cc(F)cc(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC000322685039 939125089 /nfs/dbraw/zinc/12/50/89/939125089.db2.gz PZSDLIZQKNKTQX-MRXNPFEDSA-N -1 0 336.750 3.601 20 0 EHADRM C[C@@H]1CCc2c(C(=O)N[C@](C)(C(=O)[O-])c3ccccc3)csc2C1 ZINC000324327420 939125768 /nfs/dbraw/zinc/12/57/68/939125768.db2.gz AOUKFNDGATVDMO-BLVKFPJESA-N -1 0 343.448 3.603 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000327616833 939127661 /nfs/dbraw/zinc/12/76/61/939127661.db2.gz NGLGGERBKAHJMM-LJQANCHMSA-N -1 0 341.338 3.610 20 0 EHADRM C[C@H](Sc1ccccc1)C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000345837497 939128475 /nfs/dbraw/zinc/12/84/75/939128475.db2.gz KYOHIEDPNYKNQT-XHDPSFHLSA-N -1 0 349.839 3.763 20 0 EHADRM C[C@H](NC(=O)N[C@](C)(C(=O)[O-])c1ccccc1)[C@H]1CC2CCC1CC2 ZINC000381755743 939132242 /nfs/dbraw/zinc/13/22/42/939132242.db2.gz WNCQSGWZOUQJMF-WZXDVFJOSA-N -1 0 344.455 3.500 20 0 EHADRM C[C@](NC(=O)c1cccc(Cl)c1Cl)(C(=O)[O-])c1ccccc1 ZINC000386493620 939132703 /nfs/dbraw/zinc/13/27/03/939132703.db2.gz ZCUJQLCXTCGADX-MRXNPFEDSA-N -1 0 338.190 3.723 20 0 EHADRM C[C@@H](NC(=O)NC1(C(=O)[O-])CCCC1)c1csc2ccccc21 ZINC000780567814 939133107 /nfs/dbraw/zinc/13/31/07/939133107.db2.gz YGIBMQZJUTZHEF-LLVKDONJSA-N -1 0 332.425 3.659 20 0 EHADRM Cc1cc([C@H](C)NC(=O)N[C@@H](C(=O)[O-])c2cccs2)c(C)s1 ZINC000388645853 939133505 /nfs/dbraw/zinc/13/35/05/939133505.db2.gz RCXPMWHSWRGVMX-TVQRCGJNSA-N -1 0 338.454 3.613 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)N[C@](C)(C(=O)[O-])c3ccccc3)cc2C1 ZINC000392046107 939136489 /nfs/dbraw/zinc/13/64/89/939136489.db2.gz RHBKZAIUDNMFHB-BLVKFPJESA-N -1 0 343.448 3.603 20 0 EHADRM CSc1ccc(C)c(NC(=O)N[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000780717896 939147700 /nfs/dbraw/zinc/14/77/00/939147700.db2.gz COSQDLWHGTWMNY-OAHLLOKOSA-N -1 0 330.409 3.664 20 0 EHADRM Cc1cc(C)cc(NC(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)c1 ZINC000788319897 939150011 /nfs/dbraw/zinc/15/00/11/939150011.db2.gz YEBGMFRIBGQVHK-OAHLLOKOSA-N -1 0 334.322 3.529 20 0 EHADRM CC[C@](NC(=O)c1cccc(C)c1Cl)(C(=O)[O-])c1ccccc1 ZINC000431448127 939151436 /nfs/dbraw/zinc/15/14/36/939151436.db2.gz XOPSSEHAVCGVOK-GOSISDBHSA-N -1 0 331.799 3.768 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cccn1C1CCCC1)c1ccc(Cl)cc1 ZINC000431800035 939159680 /nfs/dbraw/zinc/15/96/80/939159680.db2.gz NQPPFNXORJYEEJ-MRXNPFEDSA-N -1 0 346.814 3.812 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cccc2c1CCC2)c1ccc2ccccc2c1 ZINC000439934035 939203925 /nfs/dbraw/zinc/20/39/25/939203925.db2.gz ZEOKAJFTIADLFW-FQEVSTJZSA-N -1 0 345.398 3.884 20 0 EHADRM CCc1sc(C(=O)N[C@@](CC)(C(=O)[O-])c2ccccc2)cc1C ZINC000485370104 939227315 /nfs/dbraw/zinc/22/73/15/939227315.db2.gz AJNGUJRKEORMCB-GOSISDBHSA-N -1 0 331.437 3.739 20 0 EHADRM CC[C@](NC(=O)Cc1ccccc1F)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507311983 939234406 /nfs/dbraw/zinc/23/44/06/939234406.db2.gz QDGDOSTUPUHLRN-GOSISDBHSA-N -1 0 349.789 3.528 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1ccc2cc(Br)ccc2c1)C1CC1 ZINC000852945126 939238516 /nfs/dbraw/zinc/23/85/16/939238516.db2.gz BMHDYMXTLJNRPH-CQSZACIVSA-N -1 0 348.196 3.652 20 0 EHADRM Cc1c(CSC(C)C)cccc1NC(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000900335495 939275912 /nfs/dbraw/zinc/27/59/12/939275912.db2.gz FRPVRBHLQKTLKP-HNNXBMFYSA-N -1 0 336.457 3.621 20 0 EHADRM CN(C(=O)N[C@@H](C(=O)[O-])c1c(Cl)cccc1Cl)C1CCCC1 ZINC000548876589 939296023 /nfs/dbraw/zinc/29/60/23/939296023.db2.gz LQEDUHUXDUUOJQ-CYBMUJFWSA-N -1 0 345.226 3.703 20 0 EHADRM C[C@@H]1CC[C@@H](NC(=O)N[C@H](C(=O)[O-])c2ccsc2)c2ccccc21 ZINC000555846119 939304879 /nfs/dbraw/zinc/30/48/79/939304879.db2.gz JRMDAUHIYJQFLY-LYRGGWFBSA-N -1 0 344.436 3.812 20 0 EHADRM C[C@](NC(=O)Nc1nc(C2CCC2)cs1)(C(=O)[O-])c1ccccc1 ZINC000908678967 939305525 /nfs/dbraw/zinc/30/55/25/939305525.db2.gz JDJRIEGUYKSOIU-QGZVFWFLSA-N -1 0 345.424 3.532 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N[C@](C)(C(=O)[O-])C2CC2)cc1Cl ZINC000557775405 939308681 /nfs/dbraw/zinc/30/86/81/939308681.db2.gz STMZQVBRSFYNKP-INIZCTEOSA-N -1 0 340.807 3.502 20 0 EHADRM CC(C)C[C@@H](C)NC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000562459183 939332044 /nfs/dbraw/zinc/33/20/44/939332044.db2.gz MTOXISDOPHXVIG-CXAGYDPISA-N -1 0 328.412 3.699 20 0 EHADRM CC[C@](NC(=O)Cc1cccc(C(F)F)c1)(C(=O)[O-])c1ccccc1 ZINC000908942047 939359609 /nfs/dbraw/zinc/35/96/09/939359609.db2.gz CYIHKAGVOZZGFE-LJQANCHMSA-N -1 0 347.361 3.673 20 0 EHADRM O=C([O-])[C@H](NC(=O)NC1CCCCCC1)c1ccc(Cl)c(F)c1 ZINC000567328241 939361023 /nfs/dbraw/zinc/36/10/23/939361023.db2.gz QRHKSGMGFCQCFC-CQSZACIVSA-N -1 0 342.798 3.627 20 0 EHADRM COc1ccc([C@H](NC(=O)Nc2ccc(C)c(Cl)c2)C(=O)[O-])cc1 ZINC000567549038 939362589 /nfs/dbraw/zinc/36/25/89/939362589.db2.gz UQABZUGOOMTHIY-HNNXBMFYSA-N -1 0 348.786 3.604 20 0 EHADRM CSCc1cccc(NC(=O)N[C@H](C(=O)[O-])C2CCCCC2)c1 ZINC000568670751 939368994 /nfs/dbraw/zinc/36/89/94/939368994.db2.gz AUNKVXOAVWAVDI-HNNXBMFYSA-N -1 0 336.457 3.705 20 0 EHADRM Cc1cc(F)cc(NC(=O)N[C@H](C(=O)[O-])c2cccc(C)c2C)c1 ZINC000569909489 939379365 /nfs/dbraw/zinc/37/93/65/939379365.db2.gz FZBSWTRMQGCEOB-INIZCTEOSA-N -1 0 330.359 3.698 20 0 EHADRM C[C@H](NC(=O)NC1(C(=O)[O-])CCCCC1)c1c(F)cccc1Cl ZINC000574306405 939725443 /nfs/dbraw/zinc/72/54/43/939725443.db2.gz WTXOKDIYQMQTOC-JTQLQIEISA-N -1 0 342.798 3.627 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)N[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)cc1 ZINC000575737015 939733933 /nfs/dbraw/zinc/73/39/33/939733933.db2.gz ZLBRDRUZIVURBR-MAUKXSAKSA-N -1 0 340.423 3.798 20 0 EHADRM CSc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2C)c1 ZINC000576454827 939739043 /nfs/dbraw/zinc/73/90/43/939739043.db2.gz KYVIGVRPWREGJV-MRXNPFEDSA-N -1 0 344.436 3.973 20 0 EHADRM C[C@@H](NC(=O)N[C@@H](C(=O)[O-])c1cccs1)c1cccc(C2CC2)c1 ZINC000929040243 939798064 /nfs/dbraw/zinc/79/80/64/939798064.db2.gz WEPJBJZQJQZRBX-BDJLRTHQSA-N -1 0 344.436 3.812 20 0 EHADRM C[C@](NC(=O)c1cc2ccc(Cl)cc2[nH]1)(C(=O)[O-])c1ccccc1 ZINC001116300108 939810153 /nfs/dbraw/zinc/81/01/53/939810153.db2.gz IJKIJCMYZYMGNZ-GOSISDBHSA-N -1 0 342.782 3.551 20 0 EHADRM O=C([O-])C1(NC(=O)CCc2ccc(C(F)F)cc2)CCCCCC1 ZINC000630161230 939813065 /nfs/dbraw/zinc/81/30/65/939813065.db2.gz IPKYTOCMDGBNGG-UHFFFAOYSA-N -1 0 339.382 3.851 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)[C@H](C(=O)[O-])C3CC3)cn2)cc1C ZINC000663031081 939850519 /nfs/dbraw/zinc/85/05/19/939850519.db2.gz ACUHHWCXARIMLW-QGZVFWFLSA-N -1 0 340.379 3.540 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1ccc(COC2CCCC2)cc1)C1CCCC1 ZINC000663091550 939854074 /nfs/dbraw/zinc/85/40/74/939854074.db2.gz JIXVFIBXJRTSPI-GOSISDBHSA-N -1 0 345.439 3.975 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)N[C@]1(C(=O)[O-])CCc2ccccc21 ZINC000675988492 939866866 /nfs/dbraw/zinc/86/68/66/939866866.db2.gz KPIWXXWFEOUMFI-YCRPNKLZSA-N -1 0 337.419 3.531 20 0 EHADRM CC(C)(CCC(=O)N[C@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000683308874 939870477 /nfs/dbraw/zinc/87/04/77/939870477.db2.gz XERXULYUUVHPFC-NRFANRHFSA-N -1 0 339.435 3.861 20 0 EHADRM C[C@H](C(=O)N[C@@]1(C(=O)[O-])CCc2ccccc21)c1ccc(Cl)s1 ZINC000683310216 939870712 /nfs/dbraw/zinc/87/07/12/939870712.db2.gz RKSUGJKAMYMCLI-BTDLBPIBSA-N -1 0 349.839 3.548 20 0 EHADRM CC(C)c1ccccc1NC(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC000683921280 939871209 /nfs/dbraw/zinc/87/12/09/939871209.db2.gz RMBXBBOJKJJCNT-INIZCTEOSA-N -1 0 330.359 3.897 20 0 EHADRM C[C@H](NC(=O)NC1(C(=O)[O-])CCCCCC1)c1ccc(F)c(F)c1 ZINC000684712821 939871522 /nfs/dbraw/zinc/87/15/22/939871522.db2.gz MGKSLIIMAHYXSN-NSHDSACASA-N -1 0 340.370 3.503 20 0 EHADRM Cc1cc(NC(=O)C(F)(F)c2cc(F)cc(F)c2)ccc1C(=O)[O-] ZINC001600249790 970782619 /nfs/dbraw/zinc/78/26/19/970782619.db2.gz CBJOKEINPMAOHJ-UHFFFAOYSA-N -1 0 341.260 3.702 20 0 EHADRM CC(C)CCN(C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)C1CC1 ZINC000321577808 970785138 /nfs/dbraw/zinc/78/51/38/970785138.db2.gz CWCOCAIKQTWVDY-UHFFFAOYSA-N -1 0 326.343 3.705 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)N1CCC[C@H](CCC(=O)[O-])C1)CCC2 ZINC001600498296 970816663 /nfs/dbraw/zinc/81/66/63/970816663.db2.gz XDWBXPNFWKHZIF-QAPCUYQASA-N -1 0 344.455 3.659 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc(F)c(Cl)cc2F)c(F)cc1F ZINC000322105675 970846994 /nfs/dbraw/zinc/84/69/94/970846994.db2.gz KEVFCXCKLRZEJW-UHFFFAOYSA-N -1 0 347.651 3.847 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)C1CCC(C(F)(F)F)CC1 ZINC000322148450 970852187 /nfs/dbraw/zinc/85/21/87/970852187.db2.gz SLXVSTQIUARKIQ-UHFFFAOYSA-N -1 0 333.281 3.831 20 0 EHADRM Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC000322304074 970870781 /nfs/dbraw/zinc/87/07/81/970870781.db2.gz ABXFJCCGSCMYHL-UHFFFAOYSA-N -1 0 345.405 3.526 20 0 EHADRM Cc1ccc([C@H]2CCN(C(=O)Nc3cccc(CC(=O)[O-])c3)C2)cc1 ZINC001611177405 970925249 /nfs/dbraw/zinc/92/52/49/970925249.db2.gz VBYVCVZYWGXRAD-KRWDZBQOSA-N -1 0 338.407 3.644 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](c2nc(Cc3ccc(F)cc3Cl)no2)C1 ZINC000323396464 970999556 /nfs/dbraw/zinc/99/95/56/970999556.db2.gz MCNHWZAUCRBLCG-MNOVXSKESA-N -1 0 338.766 3.811 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC000323766472 971036529 /nfs/dbraw/zinc/03/65/29/971036529.db2.gz YLHIVJQMIAMPCN-MWLCHTKSSA-N -1 0 335.787 3.720 20 0 EHADRM Cc1ccc2c(CC(=O)Nc3ccc(F)cc3C(=O)[O-])coc2c1 ZINC000323910011 971056702 /nfs/dbraw/zinc/05/67/02/971056702.db2.gz RNEHPURBFRCOJI-UHFFFAOYSA-N -1 0 327.311 3.760 20 0 EHADRM CC(C)Oc1ccccc1[C@H](C)NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000324252118 971101050 /nfs/dbraw/zinc/10/10/50/971101050.db2.gz BLKSKSJHCAOIJY-CWRNSKLLSA-N -1 0 333.428 3.542 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2cnc3c(F)cccc3c2)c1 ZINC001602043915 971129642 /nfs/dbraw/zinc/12/96/42/971129642.db2.gz VLWQLQWDKOORNL-UHFFFAOYSA-N -1 0 338.338 3.643 20 0 EHADRM CCCc1ccccc1NC(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000324532578 971130423 /nfs/dbraw/zinc/13/04/23/971130423.db2.gz RPXXDUBLFHIDKA-HNNXBMFYSA-N -1 0 344.333 3.510 20 0 EHADRM Cc1c(Cl)cccc1C(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000324536666 971130514 /nfs/dbraw/zinc/13/05/14/971130514.db2.gz VEUNBKNHYACSIU-UHFFFAOYSA-N -1 0 329.783 3.545 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N[C@@H](C(F)F)C2CCCCC2)c1 ZINC001602138616 971154911 /nfs/dbraw/zinc/15/49/11/971154911.db2.gz LXOFSUBXOLKKBH-OAHLLOKOSA-N -1 0 340.370 3.649 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CCCCc3ccccc32)ccc1F ZINC000324932350 971171064 /nfs/dbraw/zinc/17/10/64/971171064.db2.gz VSIVJWJKLDDNFQ-UHFFFAOYSA-N -1 0 328.343 3.899 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC001602471144 971204593 /nfs/dbraw/zinc/20/45/93/971204593.db2.gz FYAAUSOJANORMX-GHMZBOCLSA-N -1 0 335.281 3.544 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001602471147 971204764 /nfs/dbraw/zinc/20/47/64/971204764.db2.gz FYAAUSOJANORMX-QWRGUYRKSA-N -1 0 335.281 3.544 20 0 EHADRM FC(F)(F)CCc1ccccc1NCc1ccc(-c2nn[nH]n2)cc1 ZINC000822718543 946162938 /nfs/dbraw/zinc/16/29/38/946162938.db2.gz MKHIXEJDQZVUEU-UHFFFAOYSA-N -1 0 347.344 3.974 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)c2cccc(C(F)(F)F)c2)cc1F ZINC000325533324 971223513 /nfs/dbraw/zinc/22/35/13/971223513.db2.gz FUXGIOCMVBXSHL-UHFFFAOYSA-N -1 0 345.223 3.934 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)N2CC[C@H]3CCCC[C@H]3C2)cc1F ZINC000325538853 971225077 /nfs/dbraw/zinc/22/50/77/971225077.db2.gz GORPFEVCEXOFEG-MNOVXSKESA-N -1 0 338.354 3.707 20 0 EHADRM O=C([O-])c1cccc2c1CCN(Cc1coc(-c3cccs3)n1)C2 ZINC000325821743 971246535 /nfs/dbraw/zinc/24/65/35/971246535.db2.gz RRLUIUQVUKRBLG-UHFFFAOYSA-N -1 0 340.404 3.660 20 0 EHADRM Cc1ccc(NC(=O)Cc2ccccc2C(=O)[O-])cc1C(F)(F)F ZINC000325845453 971248658 /nfs/dbraw/zinc/24/86/58/971248658.db2.gz XFNPPBUCLIFBCU-UHFFFAOYSA-N -1 0 337.297 3.893 20 0 EHADRM N#Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])cc1 ZINC000325910064 971254371 /nfs/dbraw/zinc/25/43/71/971254371.db2.gz XUKZOBPYVWGZID-UHFFFAOYSA-N -1 0 334.253 3.528 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2cnc(Cl)c3ccccc23)cc1 ZINC000326101205 971267338 /nfs/dbraw/zinc/26/73/38/971267338.db2.gz XJHHVOOTKCFZKK-UHFFFAOYSA-N -1 0 340.766 3.516 20 0 EHADRM Cc1ccnc(C)c1NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000326337716 971283692 /nfs/dbraw/zinc/28/36/92/971283692.db2.gz UHTVAJQRCIIWNK-UHFFFAOYSA-N -1 0 327.384 3.705 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OCCCCC1CCOCC1 ZINC000326357870 971286397 /nfs/dbraw/zinc/28/63/97/971286397.db2.gz WNPYDMQNMCAPCQ-VURMDHGXSA-N -1 0 334.412 3.769 20 0 EHADRM CCc1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2)c(C(=O)[O-])c1 ZINC000326750766 971324843 /nfs/dbraw/zinc/32/48/43/971324843.db2.gz LDTRIHRUAPROOQ-ZDUSSCGKSA-N -1 0 327.380 3.662 20 0 EHADRM COc1cc(NC(=O)N(C)Cc2ccccc2Cl)ccc1C(=O)[O-] ZINC000326856694 971336736 /nfs/dbraw/zinc/33/67/36/971336736.db2.gz UGZKPPXVBUVTSQ-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2cccc(CCC(=O)[O-])c2)o1 ZINC000326948423 971348994 /nfs/dbraw/zinc/34/89/94/971348994.db2.gz IZTPNVJUSMDESM-DYVFJYSZSA-N -1 0 341.407 3.992 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C[C@@H]2CNc3ccccc32)cc1 ZINC000327222607 971377078 /nfs/dbraw/zinc/37/70/78/971377078.db2.gz QGDQXZAWFSVXGU-CYBMUJFWSA-N -1 0 338.407 3.587 20 0 EHADRM O=C([O-])/C=C/c1ccc(OCCn2cc(-c3ccccc3)cn2)cc1 ZINC000327397389 971395393 /nfs/dbraw/zinc/39/53/93/971395393.db2.gz BLAOSBDWOCZZHZ-DHZHZOJOSA-N -1 0 334.375 3.727 20 0 EHADRM Cc1ccc2oc(C(=O)N3CC[C@H](C(=O)[O-])c4ccccc43)cc2c1 ZINC000327528811 971406784 /nfs/dbraw/zinc/40/67/84/971406784.db2.gz SKWFOXQZAJAXFO-HNNXBMFYSA-N -1 0 335.359 3.960 20 0 EHADRM CCc1ccc(NC(=O)CCOc2cc(C)cc(C)c2)c(C(=O)[O-])c1 ZINC000327687102 971418355 /nfs/dbraw/zinc/41/83/55/971418355.db2.gz HLKPCYGJGZCQBD-UHFFFAOYSA-N -1 0 341.407 3.972 20 0 EHADRM O=C([O-])c1ccccc1CCNC(=O)N[C@H]1CCCCC12CCCC2 ZINC000327822919 971427544 /nfs/dbraw/zinc/42/75/44/971427544.db2.gz LGFHHFBDRAVIBH-KRWDZBQOSA-N -1 0 344.455 3.730 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)CCc1c[nH]c2ccccc12 ZINC000328011489 971441534 /nfs/dbraw/zinc/44/15/34/971441534.db2.gz HPLPEWJCDHGUKH-SFHVURJKSA-N -1 0 342.439 3.640 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000328429550 971473834 /nfs/dbraw/zinc/47/38/34/971473834.db2.gz KWOHWKSCUBTDJC-JKSUJKDBSA-N -1 0 335.831 3.722 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)Oc2ccc(CC(=O)[O-])cc2)cc1 ZINC000013463701 948784450 /nfs/dbraw/zinc/78/44/50/948784450.db2.gz QTUNFEUROSRSAN-ZDUSSCGKSA-N -1 0 348.420 3.595 20 0 EHADRM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001589560939 948808659 /nfs/dbraw/zinc/80/86/59/948808659.db2.gz CVHLEKYTOHOBDS-MAUKXSAKSA-N -1 0 335.831 3.588 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001589561287 948813308 /nfs/dbraw/zinc/81/33/08/948813308.db2.gz QAYASMYKKFNXPJ-LAUBAEHRSA-N -1 0 339.435 3.680 20 0 EHADRM Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000342609268 971519278 /nfs/dbraw/zinc/51/92/78/971519278.db2.gz UVKDPPLJNGKEHL-CYBMUJFWSA-N -1 0 349.475 3.549 20 0 EHADRM Cc1oc(CNC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)cc1C(=O)[O-] ZINC000345881568 971519779 /nfs/dbraw/zinc/51/97/79/971519779.db2.gz ZMKMZFGQCYDTQF-OALUTQOASA-N -1 0 349.386 3.859 20 0 EHADRM CSCc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])cc2C)cc1 ZINC000345921007 971520121 /nfs/dbraw/zinc/52/01/21/971520121.db2.gz KBDYYQHUEAUYTL-UHFFFAOYSA-N -1 0 345.420 3.574 20 0 EHADRM CCCC[C@@H](NC(=O)c1cc2c(s1)-c1ccccc1CC2)C(=O)[O-] ZINC000347258037 971521682 /nfs/dbraw/zinc/52/16/82/971521682.db2.gz JCLHVLCOYIJZIN-OAHLLOKOSA-N -1 0 343.448 3.887 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)cc1 ZINC000347136798 971521799 /nfs/dbraw/zinc/52/17/99/971521799.db2.gz OQNCOWSTIKOJGR-CVEARBPZSA-N -1 0 329.783 3.709 20 0 EHADRM CSc1ccc(NC(=O)Cc2ccccc2C(=O)[O-])cc1Cl ZINC000347357762 971523759 /nfs/dbraw/zinc/52/37/59/971523759.db2.gz DUCTURRMCLGPAK-UHFFFAOYSA-N -1 0 335.812 3.941 20 0 EHADRM COc1ccc(N(C)C(=O)CCc2ccccc2C(=O)[O-])cc1Cl ZINC000347338389 971524173 /nfs/dbraw/zinc/52/41/73/971524173.db2.gz DPFAVUOCXGPCNH-UHFFFAOYSA-N -1 0 347.798 3.642 20 0 EHADRM CCC[C@@H](NC(=O)c1ccc(OCC2CCCCC2)cc1)C(=O)[O-] ZINC000347391317 971524811 /nfs/dbraw/zinc/52/48/11/971524811.db2.gz WSLWDVOLFPFLHA-QGZVFWFLSA-N -1 0 333.428 3.629 20 0 EHADRM Cc1ccc(C)c(C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)c1 ZINC000347993566 971527712 /nfs/dbraw/zinc/52/77/12/971527712.db2.gz IANBGLZWMBTCLJ-UHFFFAOYSA-N -1 0 331.799 3.684 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@H]1CSc2ccccc21 ZINC000349464701 971527945 /nfs/dbraw/zinc/52/79/45/971527945.db2.gz SKQFVBBWTGQTSR-AWEZNQCLSA-N -1 0 327.405 3.830 20 0 EHADRM CC(C)C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3)C(=O)[O-] ZINC000355439892 971530047 /nfs/dbraw/zinc/53/00/47/971530047.db2.gz DQUHRWAYGXXVAN-XIKOKIGWSA-N -1 0 342.439 3.522 20 0 EHADRM COCc1cccc(NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])c1 ZINC000362490362 971535262 /nfs/dbraw/zinc/53/52/62/971535262.db2.gz REPQALKBAARIIP-LBPRGKRZSA-N -1 0 345.420 3.651 20 0 EHADRM C[C@H](NC(=O)CC1(CC(=O)[O-])CCCC1)c1ccc2ncsc2c1 ZINC000362925889 971537374 /nfs/dbraw/zinc/53/73/74/971537374.db2.gz WCMCLZCPYNNFMY-LBPRGKRZSA-N -1 0 346.452 3.899 20 0 EHADRM CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1C(=O)[O-] ZINC001589587304 949065244 /nfs/dbraw/zinc/06/52/44/949065244.db2.gz QEQAZLOKCNIUOW-OAHLLOKOSA-N -1 0 347.798 3.512 20 0 EHADRM CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1C(=O)[O-] ZINC001589587303 949065928 /nfs/dbraw/zinc/06/59/28/949065928.db2.gz QEQAZLOKCNIUOW-HNNXBMFYSA-N -1 0 347.798 3.512 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C2(Cc3cccc(F)c3)CCC2)C1 ZINC001589592266 949101993 /nfs/dbraw/zinc/10/19/93/949101993.db2.gz WOXBQIJZDXULQT-LJQANCHMSA-N -1 0 347.430 3.642 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2c[nH]cc2-c2ccccc2F)C1 ZINC001589597814 949175794 /nfs/dbraw/zinc/17/57/94/949175794.db2.gz HPYPPVVJTAAIFG-LJQANCHMSA-N -1 0 344.386 3.538 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)c1ccnc(Cl)c1)CCCC2 ZINC000096561760 949192352 /nfs/dbraw/zinc/19/23/52/949192352.db2.gz GIIUYDAHFGCFOQ-UHFFFAOYSA-N -1 0 336.800 3.626 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)o1 ZINC001595225161 949282629 /nfs/dbraw/zinc/28/26/29/949282629.db2.gz IDEPGXBAFLUNQV-FWPCIQOSSA-N -1 0 345.782 3.661 20 0 EHADRM CC[C@@H]1CCCCCN1C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001589621043 949412431 /nfs/dbraw/zinc/41/24/31/949412431.db2.gz HAJMLRNJARBCFU-XOKHGSTOSA-N -1 0 330.428 3.664 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC001595237994 949422363 /nfs/dbraw/zinc/42/23/63/949422363.db2.gz CLOKADADZFGZHT-MRXNPFEDSA-N -1 0 341.794 3.657 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)c1cnc2ccsc2c1 ZINC001595239492 949439917 /nfs/dbraw/zinc/43/99/17/949439917.db2.gz YHKQYIGHLTUPMI-UHFFFAOYSA-N -1 0 338.388 3.588 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)CCCc2ccc3c(c2)-c2ccccc2C3)C1 ZINC000178268725 949487448 /nfs/dbraw/zinc/48/74/48/949487448.db2.gz HWQMFLCYXVNQGO-SFHVURJKSA-N -1 0 349.430 3.514 20 0 EHADRM Cc1c(C(=O)NCc2cccc(C(=O)[O-])c2)cccc1-c1ccccn1 ZINC000190896332 949501438 /nfs/dbraw/zinc/50/14/38/949501438.db2.gz AYNLQASKZSEDTO-UHFFFAOYSA-N -1 0 346.386 3.685 20 0 EHADRM C[C@](CNC(=O)c1ccc2ccccc2c1)(C(=O)[O-])c1ccccc1 ZINC000193062795 949513707 /nfs/dbraw/zinc/51/37/07/949513707.db2.gz BQTQUPRMRJOSHH-OAQYLSRUSA-N -1 0 333.387 3.612 20 0 EHADRM C[C@](CNC(=O)c1ccc(C2CCC2)cc1)(C(=O)[O-])c1ccccc1 ZINC000193105805 949521760 /nfs/dbraw/zinc/52/17/60/949521760.db2.gz QTKBZVXDRRIQOA-OAQYLSRUSA-N -1 0 337.419 3.726 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1 ZINC001602806239 971588176 /nfs/dbraw/zinc/58/81/76/971588176.db2.gz FBPCAGTXQQWGFD-NSHDSACASA-N -1 0 332.787 3.611 20 0 EHADRM CCC[C@H](NC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)C1CCC1 ZINC001589633893 949582849 /nfs/dbraw/zinc/58/28/49/949582849.db2.gz ICMPEEQCAFQALF-IXDOHACOSA-N -1 0 330.428 3.568 20 0 EHADRM CCC[C@@]1(C)CCCN(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)C1 ZINC001589635087 949605605 /nfs/dbraw/zinc/60/56/05/949605605.db2.gz BPMNQWGNIOFOFL-PMACEKPBSA-N -1 0 346.471 3.641 20 0 EHADRM O=C([O-])c1cccnc1NC(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC001595260518 949657823 /nfs/dbraw/zinc/65/78/23/949657823.db2.gz IMRZKZMTPSLGFZ-IRXDYDNUSA-N -1 0 332.359 3.675 20 0 EHADRM CCCC[C@H](CC)C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001589640911 949689206 /nfs/dbraw/zinc/68/92/06/949689206.db2.gz MDKSLIVSZOAMLK-JTQLQIEISA-N -1 0 325.430 3.674 20 0 EHADRM O=C([O-])c1cncc(NC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)c1 ZINC001595271188 949827681 /nfs/dbraw/zinc/82/76/81/949827681.db2.gz MVZIKBZPXLGTCQ-QZTJIDSGSA-N -1 0 332.359 3.675 20 0 EHADRM O=C([O-])c1cncc(NC(=O)N2CCCC[C@@H]2c2ccccc2)c1 ZINC001595271562 949832812 /nfs/dbraw/zinc/83/28/12/949832812.db2.gz UXZNJHMQIHVCGU-MRXNPFEDSA-N -1 0 325.368 3.539 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000236578222 949924902 /nfs/dbraw/zinc/92/49/02/949924902.db2.gz GMNNDWQMDXDGIX-OAHLLOKOSA-N -1 0 333.428 3.723 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)CC=CCC1 ZINC001595278156 949949302 /nfs/dbraw/zinc/94/93/02/949949302.db2.gz ICGVJDHCLRKVPM-OAQYLSRUSA-N -1 0 349.386 3.667 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000237618720 949967320 /nfs/dbraw/zinc/96/73/20/949967320.db2.gz UCUUJLJAFPEKJO-GDBMZVCRSA-N -1 0 335.469 3.554 20 0 EHADRM Cc1cccc(C2(C(=O)N3CC[C@@](C)(C(=O)[O-])C3)CCCCC2)c1 ZINC000237925452 949980998 /nfs/dbraw/zinc/98/09/98/949980998.db2.gz QVLFMMLZMYZQDE-LJQANCHMSA-N -1 0 329.440 3.520 20 0 EHADRM CCCNc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001589677209 950009655 /nfs/dbraw/zinc/00/96/55/950009655.db2.gz DIHXICQNCXKWLJ-WDEREUQCSA-N -1 0 344.333 3.577 20 0 EHADRM CCCOc1ccc(NC(=O)c2coc(/C=C\C(=O)[O-])c2)cc1F ZINC001589681398 950049999 /nfs/dbraw/zinc/04/99/99/950049999.db2.gz NFAPHWTVDXCMSU-XQRVVYSFSA-N -1 0 333.315 3.558 20 0 EHADRM CCCc1ccc(CCCC(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])cc1 ZINC001589691228 950112054 /nfs/dbraw/zinc/11/20/54/950112054.db2.gz DMMXXKWBOYKQAQ-DNVCBOLYSA-N -1 0 331.456 3.674 20 0 EHADRM CCN(C(=O)CCCc1cc(Cl)sc1Cl)[C@@H](C)C(=O)[O-] ZINC001589699569 950221328 /nfs/dbraw/zinc/22/13/28/950221328.db2.gz NLHLCCFCVDCQCD-QMMMGPOBSA-N -1 0 338.256 3.699 20 0 EHADRM Cc1ccc(NC(=O)CCCCC(=O)[O-])c(OCC(F)(F)F)c1 ZINC000263230544 950336663 /nfs/dbraw/zinc/33/66/63/950336663.db2.gz ASCNSWQHDITGHD-UHFFFAOYSA-N -1 0 333.306 3.520 20 0 EHADRM CCN(C(=O)c1ccc(Oc2ccc(F)cc2)cc1)[C@@H](C)C(=O)[O-] ZINC001589711546 950336758 /nfs/dbraw/zinc/33/67/58/950336758.db2.gz YJABXHQLSDHAKR-LBPRGKRZSA-N -1 0 331.343 3.553 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000263333734 950376618 /nfs/dbraw/zinc/37/66/18/950376618.db2.gz MAENIVVTGRHKNB-GDBMZVCRSA-N -1 0 339.391 3.662 20 0 EHADRM Cc1ccccc1[C@H]1CCCN1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263394240 950434408 /nfs/dbraw/zinc/43/44/08/950434408.db2.gz QYXXNWBCJAPMND-GOSISDBHSA-N -1 0 338.407 3.740 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000263538769 950506740 /nfs/dbraw/zinc/50/67/40/950506740.db2.gz PVAIULKUQDRASS-MRXNPFEDSA-N -1 0 327.380 3.536 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCC(c2ccc3[nH]ccc3c2)CC1 ZINC001602847782 971684795 /nfs/dbraw/zinc/68/47/95/971684795.db2.gz VLSSJBRHMICFTQ-KRWDZBQOSA-N -1 0 342.439 3.621 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(N2CCCCC2)c(F)c1 ZINC001602853027 971695884 /nfs/dbraw/zinc/69/58/84/971695884.db2.gz JECUYZBSSAPKMX-HNNXBMFYSA-N -1 0 336.407 3.501 20 0 EHADRM C[C@H]1CCCN(C(=O)CCSc2ccccc2Cl)[C@H]1C(=O)[O-] ZINC000318655009 950933430 /nfs/dbraw/zinc/93/34/30/950933430.db2.gz GQDQMZFZRKYHQO-XHDPSFHLSA-N -1 0 341.860 3.534 20 0 EHADRM C[C@@H]1CCCN(C(=O)/C=C/c2cc(Cl)cc(Cl)c2)[C@@H]1C(=O)[O-] ZINC000318772004 950939609 /nfs/dbraw/zinc/93/96/09/950939609.db2.gz NASRSICXSJULHS-TXYLHXBASA-N -1 0 342.222 3.718 20 0 EHADRM O=C([O-])CC1(C(=O)Oc2ccc(Br)cc2Cl)CCC1 ZINC001594978961 950967545 /nfs/dbraw/zinc/96/75/45/950967545.db2.gz ZOHRETYLUKCDJF-UHFFFAOYSA-N -1 0 347.592 3.653 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000320455118 950990743 /nfs/dbraw/zinc/99/07/43/950990743.db2.gz NTWHHLUBKBGKPH-YVEFUNNKSA-N -1 0 338.835 3.687 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)C(c1ccccc1)c1ccccc1 ZINC001594984485 951010691 /nfs/dbraw/zinc/01/06/91/951010691.db2.gz FRKMTCKHWOONHJ-SFHVURJKSA-N -1 0 337.419 3.674 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)/C=C/c2ccc(Cl)s2)Cc2ccccc21 ZINC000321089969 951010816 /nfs/dbraw/zinc/01/08/16/951010816.db2.gz SXYRJPTWNZWVFR-IZPAUZPXSA-N -1 0 347.823 3.625 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc(Cl)c3ccccc3n2)C1 ZINC000324764715 951073983 /nfs/dbraw/zinc/07/39/83/951073983.db2.gz VNGJIGJJIRQDHO-GOSISDBHSA-N -1 0 346.814 3.605 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000345801734 951134116 /nfs/dbraw/zinc/13/41/16/951134116.db2.gz FPMOINRQTFZWKW-GFCCVEGCSA-N -1 0 347.798 3.637 20 0 EHADRM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1ccc(C(=O)[O-])cc1)[C@H]2C ZINC000357419757 951135464 /nfs/dbraw/zinc/13/54/64/951135464.db2.gz LRBGNLRZVNRFMC-STQMWFEESA-N -1 0 339.391 3.541 20 0 EHADRM O=C([O-])CCCCCNC(=O)CCC(=O)c1ccc2ccccc2c1 ZINC000355421847 951136075 /nfs/dbraw/zinc/13/60/75/951136075.db2.gz OPSWOWHARFRPQY-UHFFFAOYSA-N -1 0 341.407 3.564 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000372637566 951148258 /nfs/dbraw/zinc/14/82/58/951148258.db2.gz HGWOHGVAFUKZNX-UHFFFAOYSA-N -1 0 327.355 3.544 20 0 EHADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)Nc2cccc(-c3ccccc3)c2)CO1 ZINC001595006695 951207885 /nfs/dbraw/zinc/20/78/85/951207885.db2.gz OUBFDTXAWDUBAL-FUHWJXTLSA-N -1 0 339.391 3.562 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)c1cc(-n2cccc2)ccc1Cl ZINC001602867626 971732697 /nfs/dbraw/zinc/73/26/97/971732697.db2.gz KYIYVEGCWNRUAE-UHFFFAOYSA-N -1 0 348.830 3.704 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)Cc1ccccc1OC1CCCC1 ZINC001602867774 971734339 /nfs/dbraw/zinc/73/43/39/971734339.db2.gz XDPXOGZRQCMNCR-UHFFFAOYSA-N -1 0 347.455 3.510 20 0 EHADRM O=C([O-])CCCC(=O)Nc1cccc(OCc2cccc(F)c2)c1 ZINC001595028648 951360938 /nfs/dbraw/zinc/36/09/38/951360938.db2.gz HBTLWYGMXKCHNX-UHFFFAOYSA-N -1 0 331.343 3.598 20 0 EHADRM CCc1ccc(CNC(=O)Nc2cccc(CCC(=O)[O-])c2)s1 ZINC000391141911 951393673 /nfs/dbraw/zinc/39/36/73/951393673.db2.gz KWQOHULKYHSIFI-UHFFFAOYSA-N -1 0 332.425 3.649 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1ccccc1NC(=O)C[C@@H]1C=CCC1 ZINC001595035036 951397197 /nfs/dbraw/zinc/39/71/97/951397197.db2.gz RJHRHXCCMXUEBJ-CQSZACIVSA-N -1 0 344.411 3.565 20 0 EHADRM CC(C)c1ccc(CNC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000392056572 951411230 /nfs/dbraw/zinc/41/12/30/951411230.db2.gz YDIXYZXUVGUMRT-QGZVFWFLSA-N -1 0 332.444 3.739 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000392055840 951411331 /nfs/dbraw/zinc/41/13/31/951411331.db2.gz DWRJHJRRNSDRKF-LLVKDONJSA-N -1 0 344.333 3.732 20 0 EHADRM Cc1ccc2cccc(NC(=O)N3CCC[C@@H](CCC(=O)[O-])C3)c2n1 ZINC000392892799 951428420 /nfs/dbraw/zinc/42/84/20/951428420.db2.gz KAPPGDREYMKLLQ-AWEZNQCLSA-N -1 0 341.411 3.652 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000397086691 951519410 /nfs/dbraw/zinc/51/94/10/951519410.db2.gz SSMRRMLMCHIYOA-DTWKUNHWSA-N -1 0 331.199 3.710 20 0 EHADRM O=C([O-])COc1ccc(C(=O)Oc2cccc3sccc32)cc1 ZINC001595120404 951972334 /nfs/dbraw/zinc/97/23/34/951972334.db2.gz YGCYONGXHNAQKU-UHFFFAOYSA-N -1 0 328.345 3.584 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N[C@@H]2CCCc3c(F)cccc32)c1 ZINC001595132106 952040001 /nfs/dbraw/zinc/04/00/01/952040001.db2.gz HAYQNFSMMDKHCV-QGZVFWFLSA-N -1 0 342.370 3.652 20 0 EHADRM O=C([O-])c1c(NC(=O)[C@@H]2C[C@H]2c2ccco2)sc2c1CCCC2 ZINC001595206077 952326027 /nfs/dbraw/zinc/32/60/27/952326027.db2.gz XOCUYXTYIVUGHD-GHMZBOCLSA-N -1 0 331.393 3.660 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc(F)ccc2-c2ccoc2)ccc1O ZINC001595209778 952359525 /nfs/dbraw/zinc/35/95/25/952359525.db2.gz IDPQUPZAYDZCRJ-UHFFFAOYSA-N -1 0 341.294 3.742 20 0 EHADRM CC[C@H](NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)C1CCCC1 ZINC000382805216 971834004 /nfs/dbraw/zinc/83/40/04/971834004.db2.gz BDTUGUFTPJRLQD-ZDUSSCGKSA-N -1 0 326.343 3.753 20 0 EHADRM CCc1csc(SCCOc2ccc(/C=C\C(=O)[O-])cc2)n1 ZINC000383172337 971853964 /nfs/dbraw/zinc/85/39/64/971853964.db2.gz JPWCSJTXTMQIDP-YVMONPNESA-N -1 0 335.450 3.974 20 0 EHADRM N#Cc1cc(Br)ccc1COc1ccc(C(=O)[O-])cc1 ZINC000383542676 971874770 /nfs/dbraw/zinc/87/47/70/971874770.db2.gz FARSKGSNCSYVKC-UHFFFAOYSA-N -1 0 332.153 3.598 20 0 EHADRM CN(CCCOCc1ccccc1)c1nc(Cl)c(C(=O)[O-])s1 ZINC000383800200 971894841 /nfs/dbraw/zinc/89/48/41/971894841.db2.gz YUWPKJSQKBZQJR-UHFFFAOYSA-N -1 0 340.832 3.538 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)[C@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC001602934071 971901917 /nfs/dbraw/zinc/90/19/17/971901917.db2.gz XGHOSTUVRBCDQI-AAEUAGOBSA-N -1 0 341.810 3.732 20 0 EHADRM CC(C)(CCNC(=O)NC1(c2ccccc2Cl)CCC1)C(=O)[O-] ZINC001602940586 971907915 /nfs/dbraw/zinc/90/79/15/971907915.db2.gz GOAMSZDLWBPLPF-UHFFFAOYSA-N -1 0 338.835 3.519 20 0 EHADRM CCSCc1ccccc1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001593597618 953382722 /nfs/dbraw/zinc/38/27/22/953382722.db2.gz NOVHPUNFXNEWBN-UHFFFAOYSA-N -1 0 329.421 3.568 20 0 EHADRM CCSCc1ccccc1C(=O)N1CCC[C@@](CC)(C(=O)[O-])C1 ZINC001593597974 953385409 /nfs/dbraw/zinc/38/54/09/953385409.db2.gz ZIIJQPYVAOIGMW-GOSISDBHSA-N -1 0 335.469 3.657 20 0 EHADRM CCSc1ccccc1CC(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001593598588 953391352 /nfs/dbraw/zinc/39/13/52/953391352.db2.gz RJLVOVGERUIFRC-UHFFFAOYSA-N -1 0 335.469 3.635 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)NC(C)(C)CCC(=O)[O-] ZINC000414447571 953395768 /nfs/dbraw/zinc/39/57/68/953395768.db2.gz LAYJEENYJWAMIX-OAHLLOKOSA-N -1 0 335.444 3.727 20 0 EHADRM CC[C@H](NC(=O)NCCCCCC(=O)[O-])c1cccc(Cl)c1 ZINC000414603478 953396392 /nfs/dbraw/zinc/39/63/92/953396392.db2.gz VVNDPSPNIVGIOK-AWEZNQCLSA-N -1 0 326.824 3.735 20 0 EHADRM CC[C@@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccc(F)cc1 ZINC001593602695 953412859 /nfs/dbraw/zinc/41/28/59/953412859.db2.gz DZFOXPVWHYFSEN-MRXNPFEDSA-N -1 0 336.407 3.563 20 0 EHADRM CC[C@@H](NC(=O)Nc1cccc(OCc2cccc(C)c2)c1)C(=O)[O-] ZINC001593604030 953419751 /nfs/dbraw/zinc/41/97/51/953419751.db2.gz PKNBPMKVDAXNHV-QGZVFWFLSA-N -1 0 342.395 3.559 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)NC2CCC3(CCCCC3)CC2)C1 ZINC001589273861 953439014 /nfs/dbraw/zinc/43/90/14/953439014.db2.gz GKBYEEXHMHNFND-GJZGRUSLSA-N -1 0 336.476 3.632 20 0 EHADRM CC[C@@H]1c2ccsc2CCN1C(=O)NCC(CC)(CC)C(=O)[O-] ZINC000424419154 953477912 /nfs/dbraw/zinc/47/79/12/953477912.db2.gz ZVWGYAVOKCHBHT-CYBMUJFWSA-N -1 0 338.473 3.658 20 0 EHADRM CC(C)(CCNC(=O)Nc1ccccc1OC1CCCC1)C(=O)[O-] ZINC000424471127 953490850 /nfs/dbraw/zinc/49/08/50/953490850.db2.gz MXGQLLVFXYXDEM-UHFFFAOYSA-N -1 0 334.416 3.630 20 0 EHADRM CC(C)(CCNC(=O)Nc1ccc(OC2CCCC2)cc1)C(=O)[O-] ZINC000424466419 953490992 /nfs/dbraw/zinc/49/09/92/953490992.db2.gz GIAVTJQQINWNTQ-UHFFFAOYSA-N -1 0 334.416 3.630 20 0 EHADRM O=C([O-])c1cccc(CNCc2ccc(F)cc2Br)c1 ZINC000426682803 953493140 /nfs/dbraw/zinc/49/31/40/953493140.db2.gz MAOVNPLZIJYTHG-UHFFFAOYSA-N -1 0 338.176 3.576 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC001594768832 953546295 /nfs/dbraw/zinc/54/62/95/953546295.db2.gz GQGFPTFOLCLZDJ-BHYGNILZSA-N -1 0 330.428 3.543 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)Nc1cccc(OC(F)F)c1)C(=O)[O-] ZINC000517485743 953546856 /nfs/dbraw/zinc/54/68/56/953546856.db2.gz SVQUCFYLIXDOAO-GFCCVEGCSA-N -1 0 344.358 3.689 20 0 EHADRM CC(C)(c1ccccc1)C1(NC(=O)Cc2ccccc2C(=O)[O-])CC1 ZINC000520430780 953552408 /nfs/dbraw/zinc/55/24/08/953552408.db2.gz LZFRWWNFTQIXMI-UHFFFAOYSA-N -1 0 337.419 3.554 20 0 EHADRM CC(C)=CCC[C@@H](C)CC(=O)N(CC(=O)[O-])c1ccc2c(c1)OCO2 ZINC001602959219 971942252 /nfs/dbraw/zinc/94/22/52/971942252.db2.gz VUZMGPYQLBJGSD-CQSZACIVSA-N -1 0 347.411 3.606 20 0 EHADRM CCc1ccc([C@@H]2CCN(C(=O)Cc3ccccc3C(=O)[O-])C2)cc1 ZINC001593636586 953611266 /nfs/dbraw/zinc/61/12/66/953611266.db2.gz DZKMNGWPEMWSEH-GOSISDBHSA-N -1 0 337.419 3.506 20 0 EHADRM CCc1ccc(CN(C)C(=O)NC[C@H](CC(=O)[O-])CC(C)C)cc1 ZINC001593637908 953623112 /nfs/dbraw/zinc/62/31/12/953623112.db2.gz RNKHJXGFXMYJDL-KRWDZBQOSA-N -1 0 334.460 3.527 20 0 EHADRM C[C@@H]1CCN(C(=O)CCCc2ccc3ccccc3c2)C[C@H]1C(=O)[O-] ZINC000566235798 953623776 /nfs/dbraw/zinc/62/37/76/953623776.db2.gz SYLBZKSCAYIVQO-DNVCBOLYSA-N -1 0 339.435 3.732 20 0 EHADRM CC[C@H](NC(=O)N1CCC[C@H](CC(=O)[O-])C1)c1cccc(Cl)c1 ZINC000566608067 953628337 /nfs/dbraw/zinc/62/83/37/953628337.db2.gz DTBFJCSTYFLICX-DOMZBBRYSA-N -1 0 338.835 3.687 20 0 EHADRM CCc1ccc2occ(C(=O)N[C@](C)(C(=O)[O-])c3ccccc3)c2c1 ZINC001593640019 953635727 /nfs/dbraw/zinc/63/57/27/953635727.db2.gz HHOCKCWJYKQEDI-FQEVSTJZSA-N -1 0 337.375 3.725 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCc2cccc(Oc3ccccc3)c2)nc1 ZINC000568613953 953644744 /nfs/dbraw/zinc/64/47/44/953644744.db2.gz BDCCJMYCXBYIFW-UHFFFAOYSA-N -1 0 348.358 3.502 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCCCC[C@@H]2/C=C\c2ccccc2)C1 ZINC001594793343 953700209 /nfs/dbraw/zinc/70/02/09/953700209.db2.gz JIQYBTRNOYYWPL-QRBXVVJQSA-N -1 0 342.439 3.517 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc3cccc(Cl)c3s2)C[C@@H]1C(=O)[O-] ZINC000579240070 953706183 /nfs/dbraw/zinc/70/61/83/953706183.db2.gz ZFHTZOIGNLPACW-KOLCDFICSA-N -1 0 337.828 3.738 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc(Cl)cc2Cl)C[C@H]1C(=O)[O-] ZINC000580075626 953713202 /nfs/dbraw/zinc/71/32/02/953713202.db2.gz SHXAAPPQADISOP-PSASIEDQSA-N -1 0 331.199 3.568 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)N[C@]23C[C@H]2CCCC3)c1Cl ZINC001594804013 953767497 /nfs/dbraw/zinc/76/74/97/953767497.db2.gz PWUWDWDGMHFXGE-ANRSDYALSA-N -1 0 326.755 3.632 20 0 EHADRM CCn1c(Cc2ccccc2)nnc1SCCC1(C(=O)[O-])CCC1 ZINC001593660480 953794157 /nfs/dbraw/zinc/79/41/57/953794157.db2.gz OKKCBQPBAWEWBK-UHFFFAOYSA-N -1 0 345.468 3.626 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N[C@H]2CCCOc3ccc(F)cc32)c1 ZINC001594809092 953798881 /nfs/dbraw/zinc/79/88/81/953798881.db2.gz MBWXHLMDYPSYRH-HNNXBMFYSA-N -1 0 344.342 3.559 20 0 EHADRM C[C@H]1CN(C(=O)NC2CCC3(CCCCC3)CC2)CC[C@H]1C(=O)[O-] ZINC000626760685 953813301 /nfs/dbraw/zinc/81/33/01/953813301.db2.gz NKVMHRSQGPGNDT-GOEBONIOSA-N -1 0 336.476 3.632 20 0 EHADRM COc1ccc(Nc2cccc(NC(=O)C3(C(=O)[O-])CCC3)c2)cc1 ZINC000630234616 953848244 /nfs/dbraw/zinc/84/82/44/953848244.db2.gz SWMHVEVKTAQLPM-UHFFFAOYSA-N -1 0 340.379 3.632 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000630562032 953861663 /nfs/dbraw/zinc/86/16/63/953861663.db2.gz MCMUNBZMTYHPDP-GXSJLCMTSA-N -1 0 342.848 3.636 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)NC2CCC(c3ccccc3)CC2)CC1 ZINC000646142388 953922313 /nfs/dbraw/zinc/92/23/13/953922313.db2.gz NITMWTKVNDIXDE-UHFFFAOYSA-N -1 0 344.455 3.609 20 0 EHADRM CN(C(=O)[C@@H](C(=O)[O-])C1CCCC1)c1ccc(-c2nccs2)cc1 ZINC001593675726 953923094 /nfs/dbraw/zinc/92/30/94/953923094.db2.gz FBWKOTWBXVUYKW-HNNXBMFYSA-N -1 0 344.436 3.664 20 0 EHADRM CN(C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)C1CCCCCC1 ZINC001593677282 953940585 /nfs/dbraw/zinc/94/05/85/953940585.db2.gz BOZJRWCSNMVCAG-IAGOWNOFSA-N -1 0 330.428 3.664 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])cc1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC001593682944 953973535 /nfs/dbraw/zinc/97/35/35/953973535.db2.gz PGBKJRSHZRXHTJ-OLZOCXBDSA-N -1 0 329.318 3.578 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1ccc2cccc(Cl)c2n1)C1CCCC1 ZINC001594836802 954031681 /nfs/dbraw/zinc/03/16/81/954031681.db2.gz BDUAMFCWZUDFAC-CQSZACIVSA-N -1 0 332.787 3.718 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(-c3cccs3)s2)C[C@H]1C(=O)[O-] ZINC001589347848 954062394 /nfs/dbraw/zinc/06/23/94/954062394.db2.gz IMZCRIBBJUJBBV-GHMZBOCLSA-N -1 0 335.450 3.659 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2sccc2-c2ccccc2)C[C@H]1C1CC1 ZINC000652130698 954084179 /nfs/dbraw/zinc/08/41/79/954084179.db2.gz WTYBEZWVZKMMQM-JKSUJKDBSA-N -1 0 341.432 3.598 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000653331546 954161385 /nfs/dbraw/zinc/16/13/85/954161385.db2.gz SSORBPRMMYZGIB-DOPJRALCSA-N -1 0 345.439 3.544 20 0 EHADRM O=C([O-])C1(C(=O)N2CCC[C@H](CCCc3ccccc3)C2)CCC1 ZINC001594850015 954173823 /nfs/dbraw/zinc/17/38/23/954173823.db2.gz DOZCCRULWQEGDI-KRWDZBQOSA-N -1 0 329.440 3.503 20 0 EHADRM Cc1cc(Br)cc(NCc2ncc(C(=O)[O-])s2)c1 ZINC000385271452 971992143 /nfs/dbraw/zinc/99/21/43/971992143.db2.gz FWVMLXQGYKVMTE-UHFFFAOYSA-N -1 0 327.203 3.524 20 0 EHADRM CCCn1ccc2ccc(NC(=O)NC[C@@H](C(=O)[O-])C(C)C)cc21 ZINC000653539029 954187264 /nfs/dbraw/zinc/18/72/64/954187264.db2.gz PXHQETLTDUUKGH-OAHLLOKOSA-N -1 0 331.416 3.530 20 0 EHADRM O=C([O-])C1(C(=O)N2CCCc3c(F)cc(F)cc32)CCCCCC1 ZINC001594851327 954192690 /nfs/dbraw/zinc/19/26/90/954192690.db2.gz MHUHNSWTICQWBZ-UHFFFAOYSA-N -1 0 337.366 3.669 20 0 EHADRM COc1cc(NC(=O)NCCCCC(=O)[O-])c(C2CC2)cc1Cl ZINC000653547947 954194214 /nfs/dbraw/zinc/19/42/14/954194214.db2.gz FTDFLMLQWLPGTL-UHFFFAOYSA-N -1 0 340.807 3.602 20 0 EHADRM O=C([O-])C1(C(=O)N[C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CCC1 ZINC001594854710 954216381 /nfs/dbraw/zinc/21/63/81/954216381.db2.gz UAXNPZRZPHNOCY-UKRRQHHQSA-N -1 0 335.831 3.737 20 0 EHADRM Cc1ccc2c(CC(=O)N[C@H](C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)coc2c1 ZINC000655583358 954224610 /nfs/dbraw/zinc/22/46/10/954224610.db2.gz GQUSLZQWZZDSLH-UHOFOFEASA-N -1 0 343.423 3.535 20 0 EHADRM CC(C)C[C@@]1(C)CCCN1C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655900083 954281048 /nfs/dbraw/zinc/28/10/48/954281048.db2.gz OHBVJEMWEHLVOH-XTDOFWJNSA-N -1 0 338.492 3.732 20 0 EHADRM COc1ccc([C@H]2CCCN2C(=O)c2cccc(C(=O)[O-])c2)cc1F ZINC000659193491 954312761 /nfs/dbraw/zinc/31/27/61/954312761.db2.gz UUHQQTOCNBYENQ-MRXNPFEDSA-N -1 0 343.354 3.510 20 0 EHADRM CC(C)[C@H](CNC(=O)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1)C(=O)[O-] ZINC001602983407 972005546 /nfs/dbraw/zinc/00/55/46/972005546.db2.gz PWNXAUNJUXAFDE-KFWWJZLASA-N -1 0 326.481 3.637 20 0 EHADRM CN(CCC(=O)[O-])C(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl ZINC001593736407 954341362 /nfs/dbraw/zinc/34/13/62/954341362.db2.gz QBSSMHXQDKEGNR-UHFFFAOYSA-N -1 0 341.194 3.535 20 0 EHADRM CC(C)C[C@H](CNC(=O)N([C@@H](C)c1ccco1)C1CC1)CC(=O)[O-] ZINC000659417555 954341855 /nfs/dbraw/zinc/34/18/55/954341855.db2.gz KCJDSCUUMNQWRO-KBPBESRZSA-N -1 0 336.432 3.652 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2ccc3cccc(Cl)c3n2)CC=CCC1 ZINC001594871209 954359546 /nfs/dbraw/zinc/35/95/46/954359546.db2.gz VSJXFKVEVUDANE-KRWDZBQOSA-N -1 0 330.771 3.638 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c2)oc1C ZINC000663034837 954409070 /nfs/dbraw/zinc/40/90/70/954409070.db2.gz UKAHIPGCWSYUCX-AWEZNQCLSA-N -1 0 330.384 3.644 20 0 EHADRM Cc1nc(NC(=O)C2(C(=O)[O-])CCC2)sc1Cc1ccc(C)cc1 ZINC000663071591 954445687 /nfs/dbraw/zinc/44/56/87/954445687.db2.gz BXIKNCPDWSTDPO-UHFFFAOYSA-N -1 0 344.436 3.544 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2cc(C(F)F)ccc2Cl)CCC1 ZINC000663349133 954539291 /nfs/dbraw/zinc/53/92/91/954539291.db2.gz FRBVYBBQBMNVOK-UHFFFAOYSA-N -1 0 332.734 3.654 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000666510878 954546502 /nfs/dbraw/zinc/54/65/02/954546502.db2.gz YUHXLXNYRJWTCC-UHFFFAOYSA-N -1 0 330.428 3.607 20 0 EHADRM C[C@@H]1CCC[C@H]1CNC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666545110 954555569 /nfs/dbraw/zinc/55/55/69/954555569.db2.gz NLCWOAOBTLXINX-ZBFHGGJFSA-N -1 0 344.455 3.710 20 0 EHADRM CCC(=O)c1ccc(NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC001589426247 954623566 /nfs/dbraw/zinc/62/35/66/954623566.db2.gz GDKVWTLNSSBFJH-BYCMXARLSA-N -1 0 346.427 3.536 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl ZINC001589433278 954664451 /nfs/dbraw/zinc/66/44/51/954664451.db2.gz DRIVCXLTNPNDEE-KMSCOEIWSA-N -1 0 349.736 3.694 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCCCc2ccc(Cl)c(Cl)c2)C1 ZINC001594919287 954796367 /nfs/dbraw/zinc/79/63/67/954796367.db2.gz ONEODBIFJBUGDI-GFCCVEGCSA-N -1 0 344.238 3.639 20 0 EHADRM O=C([O-])C1CCN(C(=O)c2c(Cl)cc(Cl)cc2Cl)CC1 ZINC001594925277 954810283 /nfs/dbraw/zinc/81/02/83/954810283.db2.gz GFZNJNNERJEVOG-UHFFFAOYSA-N -1 0 336.602 3.584 20 0 EHADRM CC[C@H](CC(C)C)C(=O)Nc1sc2c(c1C(=O)[O-])COCC2 ZINC001589467782 954915268 /nfs/dbraw/zinc/91/52/68/954915268.db2.gz VFOAACZHXGGKJQ-SNVBAGLBSA-N -1 0 325.430 3.530 20 0 EHADRM COC(=O)[C@H](Cc1ccc(C)cc1)SCc1ccc(C(=O)[O-])cc1 ZINC001593810024 954927198 /nfs/dbraw/zinc/92/71/98/954927198.db2.gz FAXLTHOKRQEFQM-KRWDZBQOSA-N -1 0 344.432 3.711 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Oc1ccc(Br)c(C)c1 ZINC001589483956 954990119 /nfs/dbraw/zinc/99/01/19/954990119.db2.gz PIAZIGLKXCNPDX-UHFFFAOYSA-N -1 0 329.190 3.554 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccccc1OCC(C)C)C(=O)[O-] ZINC001589497895 955023193 /nfs/dbraw/zinc/02/31/93/955023193.db2.gz HPMMGLPHWDQLEQ-UHFFFAOYSA-N -1 0 336.432 3.734 20 0 EHADRM CCC(CC)[C@@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])COCC2 ZINC001589510754 955049876 /nfs/dbraw/zinc/04/98/76/955049876.db2.gz ZNLXPPYLZHPYII-SECBINFHSA-N -1 0 325.430 3.530 20 0 EHADRM CC(C)C[C@H](CNC(=O)N[C@H](c1ccccc1F)C(C)C)C(=O)[O-] ZINC001603012536 972067799 /nfs/dbraw/zinc/06/77/99/972067799.db2.gz UDKXIYUMIIYHSF-CJNGLKHVSA-N -1 0 338.423 3.569 20 0 EHADRM CCCCCN(C(C)C)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000386632909 972069814 /nfs/dbraw/zinc/06/98/14/972069814.db2.gz VAAAEVZFKFARQY-UHFFFAOYSA-N -1 0 347.864 3.628 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl ZINC001589001164 955324875 /nfs/dbraw/zinc/32/48/75/955324875.db2.gz GIAIKVDJLFUIPX-MRVPVSSYSA-N -1 0 341.194 3.582 20 0 EHADRM CCC(CC)(CNC(=O)N[C@H](C)c1nc2ccccc2s1)C(=O)[O-] ZINC000818625831 955414729 /nfs/dbraw/zinc/41/47/29/955414729.db2.gz VPPOHSUWWNBQNL-LLVKDONJSA-N -1 0 349.456 3.548 20 0 EHADRM C[C@H](CCc1ccc(F)cc1)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001589016954 955444929 /nfs/dbraw/zinc/44/49/29/955444929.db2.gz WFDSIPWPXHQABL-CQSZACIVSA-N -1 0 335.419 3.688 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2cccc(SC(F)F)c2)C[C@H]1C(=O)[O-] ZINC000843318981 955627846 /nfs/dbraw/zinc/62/78/46/955627846.db2.gz IVNHPIHPDNMBDD-JOYOIKCWSA-N -1 0 344.383 3.576 20 0 EHADRM O=C([O-])CCCC(=O)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000844245160 955659401 /nfs/dbraw/zinc/65/94/01/955659401.db2.gz BLMVXZCJCTVWIE-QGZVFWFLSA-N -1 0 347.361 3.620 20 0 EHADRM C[C@@](CNC(=O)NCCCCC1CCCC1)(C(=O)[O-])c1ccccc1 ZINC001589054219 955683776 /nfs/dbraw/zinc/68/37/76/955683776.db2.gz SEUIHWVUEQMWQM-FQEVSTJZSA-N -1 0 346.471 3.689 20 0 EHADRM CC(C)CC1CCN(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1 ZINC000848595210 955769389 /nfs/dbraw/zinc/76/93/89/955769389.db2.gz FPSOZDHLWBNPLL-CWRNSKLLSA-N -1 0 338.492 3.590 20 0 EHADRM CC(C)N(Cc1cccc(F)c1)C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001603066043 972131116 /nfs/dbraw/zinc/13/11/16/972131116.db2.gz WZXNJRWKSDNPAU-SREVYHEPSA-N -1 0 331.343 3.567 20 0 EHADRM Cn1nc(C(=O)[O-])cc1C(=O)OCc1ccc(C2CCCCC2)cc1 ZINC001594568623 955859829 /nfs/dbraw/zinc/85/98/29/955859829.db2.gz OPZLBNQMRMICHH-UHFFFAOYSA-N -1 0 342.395 3.523 20 0 EHADRM CC(C)(CC(=O)NCc1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000864122444 955950654 /nfs/dbraw/zinc/95/06/54/955950654.db2.gz SYHWMBYJSSNMFB-UHFFFAOYSA-N -1 0 329.371 3.508 20 0 EHADRM CC(C)(CC(=O)N1CCCC[C@H]1CCC(=O)[O-])c1ccc(F)cc1 ZINC000864131946 955956347 /nfs/dbraw/zinc/95/63/47/955956347.db2.gz GHIOWCHKSAXBDI-INIZCTEOSA-N -1 0 335.419 3.739 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N(Cc2ccccc2Cl)CC2CC2)C1 ZINC000864159007 955972059 /nfs/dbraw/zinc/97/20/59/955972059.db2.gz KYSVXHNLRQQDHI-UONOGXRCSA-N -1 0 335.831 3.580 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NC[C@@H]2CC=CC[C@H]2C(F)(F)F)c1 ZINC000864215695 955977210 /nfs/dbraw/zinc/97/72/10/955977210.db2.gz CUXYWZBFWKFOJA-SMDDNHRTSA-N -1 0 341.329 3.568 20 0 EHADRM C[C@]1(Cc2ccc(F)c(F)c2)CCCN1C(=O)CCCCC(=O)[O-] ZINC000864200825 955977669 /nfs/dbraw/zinc/97/76/69/955977669.db2.gz GYJNPEUOYCOCST-GOSISDBHSA-N -1 0 339.382 3.533 20 0 EHADRM CC(C)O[C@@H](C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1ccccc1 ZINC001603076007 972147836 /nfs/dbraw/zinc/14/78/36/972147836.db2.gz RIBKTUANZIINFW-HZPDHXFCSA-N -1 0 335.444 3.548 20 0 EHADRM C[C@H](NC(=O)NCC[C@H]1CCCC1(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589106395 956032732 /nfs/dbraw/zinc/03/27/32/956032732.db2.gz UIWQLBDSBKJSNU-LJISPDSOSA-N -1 0 338.492 3.637 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)c1cncs1 ZINC001589108316 956043355 /nfs/dbraw/zinc/04/33/55/956043355.db2.gz LBIYEDZXMLCFOX-ZCFIWIBFSA-N -1 0 343.767 3.517 20 0 EHADRM C[C@H](N[C@@H](Cc1ccccc1)C(=O)[O-])c1ncc(-c2ccccc2)o1 ZINC001589132389 956213022 /nfs/dbraw/zinc/21/30/22/956213022.db2.gz VDKLWTGEKOXMFP-YOEHRIQHSA-N -1 0 336.391 3.688 20 0 EHADRM Cc1cc(N(C)C)cc(C)c1NC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000899310845 956279816 /nfs/dbraw/zinc/27/98/16/956279816.db2.gz HLMKVANRJVGQHB-OAHLLOKOSA-N -1 0 347.459 3.621 20 0 EHADRM COc1ccc([C@H](NC(=O)c2coc(/C=C/C(=O)[O-])c2)C(C)C)cc1 ZINC000901584635 956353706 /nfs/dbraw/zinc/35/37/06/956353706.db2.gz NLNWMNBUKFLWPY-GFOMBABLSA-N -1 0 343.379 3.513 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000901660697 956410306 /nfs/dbraw/zinc/41/03/06/956410306.db2.gz JIWNFCQZIHBTLB-BDAKNGLRSA-N -1 0 349.736 3.542 20 0 EHADRM COC[C@H](C)N(C(=O)CCCCC(=O)[O-])c1cc(Cl)ccc1C ZINC001593955981 956424425 /nfs/dbraw/zinc/42/44/25/956424425.db2.gz FEPITISKWKYCFL-ZDUSSCGKSA-N -1 0 341.835 3.661 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)Nc1cccnc1C(=O)[O-] ZINC001589172575 956473125 /nfs/dbraw/zinc/47/31/25/956473125.db2.gz KQEVPVBJUFCOGT-VIFPVBQESA-N -1 0 336.800 3.553 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)N2CCC[C@@H]2CCc2ccccc2)co1 ZINC000901841220 956498678 /nfs/dbraw/zinc/49/86/78/956498678.db2.gz VPUYHMFRVAWWLY-QXPKXGMISA-N -1 0 339.391 3.615 20 0 EHADRM CCC(CC)[C@H](NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000901865968 956510807 /nfs/dbraw/zinc/51/08/07/956510807.db2.gz QXPXWLBWDARNOX-SCTDSRPQSA-N -1 0 347.455 3.550 20 0 EHADRM O=C(/C=C\c1ccc(C(=O)[O-])o1)Nc1cccc(N2CCCCC2)c1 ZINC000901918358 956539694 /nfs/dbraw/zinc/53/96/94/956539694.db2.gz ACBZSUDULXNVMW-NTMALXAHSA-N -1 0 340.379 3.620 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)CCCSc1ccc(Cl)cc1 ZINC000262986568 1125466135 /nfs/dbraw/zinc/46/61/35/1125466135.db2.gz UWCXASFYGKWBFE-KGLIPLIRSA-N -1 0 341.860 3.582 20 0 EHADRM O=C([O-])c1cccc(NC(=O)C[C@@H]2OCc3cc(Cl)ccc32)c1 ZINC001594678849 956684617 /nfs/dbraw/zinc/68/46/17/956684617.db2.gz LASNQMZRLTYWAJ-HNNXBMFYSA-N -1 0 331.755 3.638 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1cccc(COc2ccccc2)c1 ZINC001589217376 956734030 /nfs/dbraw/zinc/73/40/30/956734030.db2.gz IMHSGVZEPMPHRB-FQEVSTJZSA-N -1 0 339.391 3.705 20 0 EHADRM C[C@@](CNC(=O)NC1(C)CCC(C)(C)CC1)(C(=O)[O-])c1ccccc1 ZINC001589221305 956778311 /nfs/dbraw/zinc/77/83/11/956778311.db2.gz WXIYMOUFFYCJAB-FQEVSTJZSA-N -1 0 346.471 3.687 20 0 EHADRM C[C@@H]1CCN(C(=O)c2coc(/C=C/C(=O)[O-])c2)[C@H]1c1ccccc1 ZINC000902730754 956783108 /nfs/dbraw/zinc/78/31/08/956783108.db2.gz GHFKPGSGSHVLNI-FTHRHKOFSA-N -1 0 325.364 3.601 20 0 EHADRM C[C@@](CNC(=O)NC[C@H]1CCCC(C)(C)C1)(C(=O)[O-])c1ccccc1 ZINC001589224555 956785083 /nfs/dbraw/zinc/78/50/83/956785083.db2.gz MVHZMLQEHVYPGM-YWZLYKJASA-N -1 0 346.471 3.545 20 0 EHADRM O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)c2cccc(F)c2)C1 ZINC000902830428 956820322 /nfs/dbraw/zinc/82/03/22/956820322.db2.gz NQVWSDHVDXQEFL-CYBMUJFWSA-N -1 0 327.355 3.510 20 0 EHADRM Cc1cc(C(=O)N2C[C@H](CCC(=O)[O-])Cc3ccccc32)c(C)o1 ZINC000902831475 956821882 /nfs/dbraw/zinc/82/18/82/956821882.db2.gz ZILLXMCXXXFGJO-CQSZACIVSA-N -1 0 327.380 3.580 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1c(C)cccc1C(C)C ZINC000013027997 956907734 /nfs/dbraw/zinc/90/77/34/956907734.db2.gz LPYLDZNDMWFBLP-UHFFFAOYSA-N -1 0 347.436 3.926 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccc(F)cc1 ZINC001594716605 956936902 /nfs/dbraw/zinc/93/69/02/956936902.db2.gz YDEBXQYNORVSFR-FAYQHZLMSA-N -1 0 333.403 3.674 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)c2cc(F)c(F)c(F)c2F)c1 ZINC000013167537 956948041 /nfs/dbraw/zinc/94/80/41/956948041.db2.gz OXICNJLUXBDKJA-UHFFFAOYSA-N -1 0 347.651 3.847 20 0 EHADRM Cc1cccc(OCCCC(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000013169885 956952674 /nfs/dbraw/zinc/95/26/74/956952674.db2.gz WAOBLOOXLCWERP-UHFFFAOYSA-N -1 0 327.380 3.799 20 0 EHADRM CC[C@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000013176308 956956379 /nfs/dbraw/zinc/95/63/79/956956379.db2.gz ZUYWQWFHTKAQHY-DLBZAZTESA-N -1 0 329.371 3.652 20 0 EHADRM CCc1sc(C(=O)N[C@H](CC(=O)[O-])c2ccc(C)cc2)cc1C ZINC000013181152 956967075 /nfs/dbraw/zinc/96/70/75/956967075.db2.gz QSEJSVKLIZHKLI-CQSZACIVSA-N -1 0 331.437 3.873 20 0 EHADRM O=C([O-])C1(NC(=O)/C(=C\c2ccccc2)C(F)(F)F)CCCCC1 ZINC001594721458 956971581 /nfs/dbraw/zinc/97/15/81/956971581.db2.gz YHRBGPFFFCOUQR-ACCUITESSA-N -1 0 341.329 3.536 20 0 EHADRM CC1(c2ccccc2)CCC(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001589253505 956974149 /nfs/dbraw/zinc/97/41/49/956974149.db2.gz SBUWSXSRLHCXLO-RGWHHRAMSA-N -1 0 329.440 3.504 20 0 EHADRM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NC1(CC(=O)[O-])CCC1 ZINC000909060886 957000909 /nfs/dbraw/zinc/00/09/09/957000909.db2.gz XAHLIKPGTWEFLT-AWEZNQCLSA-N -1 0 332.444 3.579 20 0 EHADRM CC(C)(C)SCCCC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000909425614 957016485 /nfs/dbraw/zinc/01/64/85/957016485.db2.gz YVWOBYNVSJZXEP-OAHLLOKOSA-N -1 0 335.469 3.509 20 0 EHADRM C[C@@H](c1ccc(C(=O)NCCC(C)(C)C(=O)[O-])cc1)C(F)(F)F ZINC000909750722 957036268 /nfs/dbraw/zinc/03/62/68/957036268.db2.gz FHIWWPAEAIHYTF-JTQLQIEISA-N -1 0 331.334 3.583 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)c1ccc(C(F)(F)F)cc1 ZINC000013390317 957043433 /nfs/dbraw/zinc/04/34/33/957043433.db2.gz IZQULSROAGMSTJ-UHFFFAOYSA-N -1 0 349.308 3.997 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000013391218 957047410 /nfs/dbraw/zinc/04/74/10/957047410.db2.gz WHVZHFXPWFPPCT-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCc1c(F)c(F)c(F)c(F)c1F ZINC000013420153 957063312 /nfs/dbraw/zinc/06/33/12/957063312.db2.gz GFBIYIMAJBPIJK-UHFFFAOYSA-N -1 0 348.223 3.668 20 0 EHADRM C[C@H]1CCc2sc(C(=O)N(C)c3ccccc3C(=O)[O-])cc2C1 ZINC000013440728 957079508 /nfs/dbraw/zinc/07/95/08/957079508.db2.gz ILDMJFUSDKTISB-NSHDSACASA-N -1 0 329.421 3.848 20 0 EHADRM Cc1nc(N2CCCCC2)sc1CNc1cccc(CC(=O)[O-])c1 ZINC001118017888 957156994 /nfs/dbraw/zinc/15/69/94/957156994.db2.gz BWXZRAZOZMYVKL-UHFFFAOYSA-N -1 0 345.468 3.681 20 0 EHADRM CCCC[C@@H](NC(=O)CCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000035409904 957208653 /nfs/dbraw/zinc/20/86/53/957208653.db2.gz IDEZDNSKAUFJSY-CYBMUJFWSA-N -1 0 332.227 3.686 20 0 EHADRM CCC[C@](C)(NC(=O)CCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000036337940 957231148 /nfs/dbraw/zinc/23/11/48/957231148.db2.gz SFXCNYFXRIDULR-HNNXBMFYSA-N -1 0 332.227 3.686 20 0 EHADRM CC(C)(C(=O)NCC1(C(=O)[O-])CCC1)c1ccc(Cl)c(Cl)c1 ZINC001253148494 957252099 /nfs/dbraw/zinc/25/20/99/957252099.db2.gz ZXMCLUZLQKWXNT-UHFFFAOYSA-N -1 0 344.238 3.642 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1csc(Br)c1 ZINC000037419177 957283341 /nfs/dbraw/zinc/28/33/41/957283341.db2.gz WPJGHHJUTSUBOM-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)CSc1ccc(Cl)cc1 ZINC000037450532 957293267 /nfs/dbraw/zinc/29/32/67/957293267.db2.gz HWSJUBWFIPVUDL-UHFFFAOYSA-N -1 0 327.814 3.831 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)Cc1c(Cl)cccc1Cl ZINC000037450676 957294036 /nfs/dbraw/zinc/29/40/36/957294036.db2.gz DXBDZTVQKSIBPD-UHFFFAOYSA-N -1 0 330.192 3.934 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)CCSc1ccccc1Cl ZINC000037589837 957311040 /nfs/dbraw/zinc/31/10/40/957311040.db2.gz JQAWGHLDURYJHJ-NSHDSACASA-N -1 0 329.849 3.534 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc(-c3ccccc3)s2)C1 ZINC001327827069 957349711 /nfs/dbraw/zinc/34/97/11/957349711.db2.gz YQUJJXYGWXWQBU-OCCSQVGLSA-N -1 0 329.421 3.598 20 0 EHADRM O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)/C=C/c1ccco1 ZINC000390329706 972276150 /nfs/dbraw/zinc/27/61/50/972276150.db2.gz JZCRSUUISOUVBU-GQCTYLIASA-N -1 0 325.242 3.649 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OC(=O)c1ccc(Br)o1 ZINC000066143418 957640427 /nfs/dbraw/zinc/64/04/27/957640427.db2.gz ZNBRBTONABJGQI-UHFFFAOYSA-N -1 0 345.532 3.613 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)CC(F)F ZINC001603183630 972283262 /nfs/dbraw/zinc/28/32/62/972283262.db2.gz LNYZZLZTYWMZCQ-LURJTMIESA-N -1 0 338.713 3.590 20 0 EHADRM CC(C)c1oc(-c2ccccc2)nc1C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC001329942123 957714558 /nfs/dbraw/zinc/71/45/58/957714558.db2.gz WUZLXRAJEZHSNB-AWEZNQCLSA-N -1 0 344.411 3.552 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1(Cc2cccc(F)c2)CCCCC1 ZINC001574754335 957727608 /nfs/dbraw/zinc/72/76/08/957727608.db2.gz DWAYSTZWOBGIHA-SJORKVTESA-N -1 0 347.430 3.688 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCC(=O)c2ccccc2)ccc1Cl ZINC000075288611 957742479 /nfs/dbraw/zinc/74/24/79/957742479.db2.gz OIFGCRITVLMTAN-UHFFFAOYSA-N -1 0 331.755 3.640 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)O[C@H]1CCC[C@@H]1Cc1cccc(Cl)c1 ZINC001574770107 957752885 /nfs/dbraw/zinc/75/28/85/957752885.db2.gz FAWOJQQPMUOADI-MIGQKNRLSA-N -1 0 336.815 3.705 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N(c2nc3ccccc3o2)C2CC2)c1 ZINC001594282803 957760390 /nfs/dbraw/zinc/76/03/90/957760390.db2.gz ZUXHWNDAATUOJG-UHFFFAOYSA-N -1 0 336.347 3.644 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2)C[C@H]1C1CC1 ZINC001574776692 957765864 /nfs/dbraw/zinc/76/58/64/957765864.db2.gz IFYDFDHLKYULJG-RBUKOAKNSA-N -1 0 335.403 3.536 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NCC2(c3ccccc3F)CCC2)c1 ZINC001594284847 957768103 /nfs/dbraw/zinc/76/81/03/957768103.db2.gz BJXDRJNOXLOHGG-UHFFFAOYSA-N -1 0 341.382 3.684 20 0 EHADRM O=C([O-])c1ccc(Cl)cc1OCc1nc(-c2ccccc2)no1 ZINC000390595332 972294938 /nfs/dbraw/zinc/29/49/38/972294938.db2.gz DOQOONZRIVLAPZ-UHFFFAOYSA-N -1 0 330.727 3.667 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(NCC(F)(F)F)c2)cc1 ZINC001574796877 957826016 /nfs/dbraw/zinc/82/60/16/957826016.db2.gz RTSUYMLORSRIMZ-UHFFFAOYSA-N -1 0 338.285 3.611 20 0 EHADRM O=C([O-])c1cccc(C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)c1 ZINC001574807194 957861224 /nfs/dbraw/zinc/86/12/24/957861224.db2.gz HCBMBTRKKGPHFD-KOMQPUFPSA-N -1 0 329.783 3.714 20 0 EHADRM Cc1cc(C)cc(C[C@@H](C)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)c1 ZINC001594294923 957869004 /nfs/dbraw/zinc/86/90/04/957869004.db2.gz NVDMCSJGLZQOHJ-AEFFLSMTSA-N -1 0 348.487 3.671 20 0 EHADRM O=C([O-])c1cncc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)c1 ZINC001574818357 957896618 /nfs/dbraw/zinc/89/66/18/957896618.db2.gz KURMLFITZMWEIX-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)N1CCC(C2CCCCC2)CC1 ZINC001574822058 957916843 /nfs/dbraw/zinc/91/68/43/957916843.db2.gz MYOCCONDPHXTIM-UHFFFAOYSA-N -1 0 331.416 3.604 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)N(C)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001603199656 972303838 /nfs/dbraw/zinc/30/38/38/972303838.db2.gz JOCSDCZFKWUHMW-ZDUSSCGKSA-N -1 0 344.386 3.548 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)s1 ZINC001341354081 957983291 /nfs/dbraw/zinc/98/32/91/957983291.db2.gz PSDKPRSYEWPUJQ-CQDKDKBSSA-N -1 0 344.436 3.730 20 0 EHADRM C[C@@H]1CC[C@@H](NC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C[C@H]1C ZINC000391130920 972319228 /nfs/dbraw/zinc/31/92/28/972319228.db2.gz CGIKDSJGOPTLMH-OPRDCNLKSA-N -1 0 326.343 3.609 20 0 EHADRM Cc1cc(NC(=O)Nc2ccc3c(n2)CCCC3)ccc1C(=O)[O-] ZINC001594323614 958143963 /nfs/dbraw/zinc/14/39/63/958143963.db2.gz QTGDOGCFBJYOBZ-UHFFFAOYSA-N -1 0 325.368 3.611 20 0 EHADRM O=C([O-])C1(CNC(=O)c2cc3c(s2)CCCCCC3)CCCC1 ZINC000391239075 972325189 /nfs/dbraw/zinc/32/51/89/972325189.db2.gz XXLPUESMOXECME-UHFFFAOYSA-N -1 0 335.469 3.782 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])ccc1C(C)C ZINC001594326397 958176486 /nfs/dbraw/zinc/17/64/86/958176486.db2.gz DIGCNQLRMOJHRX-JOQOYGCGSA-N -1 0 347.455 3.597 20 0 EHADRM COc1ccc(-c2nc(COC(=O)CCCCC(=O)[O-])cs2)cc1 ZINC001594072064 958190225 /nfs/dbraw/zinc/19/02/25/958190225.db2.gz GSXGURHPEPDRMO-UHFFFAOYSA-N -1 0 349.408 3.507 20 0 EHADRM C[C@H](NC(=O)C1(C(=O)[O-])CCCCC1)c1cccc(OC(F)F)c1 ZINC001603216995 972331381 /nfs/dbraw/zinc/33/13/81/972331381.db2.gz WZOXIZLAZKMUKL-NSHDSACASA-N -1 0 341.354 3.500 20 0 EHADRM Cc1ccc(Br)c(OC(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC001594342350 958301353 /nfs/dbraw/zinc/30/13/53/958301353.db2.gz UAHBPANATBZEBI-UHFFFAOYSA-N -1 0 335.153 3.675 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)[O-])c1 ZINC001594349446 958335822 /nfs/dbraw/zinc/33/58/22/958335822.db2.gz GQVQUHAKFPBNGM-GOEBONIOSA-N -1 0 335.444 3.501 20 0 EHADRM Cc1ccc(C(F)(F)F)c(NC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC001594350722 958350517 /nfs/dbraw/zinc/35/05/17/958350517.db2.gz KUVUKIDEMYQCQN-WDEREUQCSA-N -1 0 344.333 3.731 20 0 EHADRM Cc1ccc(C)c(OCCCCC(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])c1 ZINC001594352389 958375920 /nfs/dbraw/zinc/37/59/20/958375920.db2.gz XIIVPBQLHBUVDO-VQIMIIECSA-N -1 0 347.455 3.564 20 0 EHADRM Cc1ccc([C@H]2C[C@H](C)N(C(=O)C3(C(=O)[O-])CCCCC3)C2)cc1 ZINC001594353448 958383325 /nfs/dbraw/zinc/38/33/25/958383325.db2.gz BHIOERHQJJXYEN-RDJZCZTQSA-N -1 0 329.440 3.735 20 0 EHADRM COc1ccc(N(C)C(=O)C2(C(=O)[O-])CCCCCC2)cc1Cl ZINC001594099280 958420526 /nfs/dbraw/zinc/42/05/26/958420526.db2.gz DZNIIWCGCJZQCG-UHFFFAOYSA-N -1 0 339.819 3.737 20 0 EHADRM Cc1ccc(CNC(=O)[C@@H]2CC[C@H]2C(=O)[O-])c(O[C@@H](C)CC(C)C)c1 ZINC001594361223 958449919 /nfs/dbraw/zinc/44/99/19/958449919.db2.gz LMPWAZWQUUYZON-USXIJHARSA-N -1 0 347.455 3.535 20 0 EHADRM CCCc1ccccc1NC(=O)NCc1ccccc1CC(=O)[O-] ZINC000391678977 972356824 /nfs/dbraw/zinc/35/68/24/972356824.db2.gz UZWJEGJFQJFASZ-UHFFFAOYSA-N -1 0 326.396 3.588 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc(F)c2ccccc12)c1ccc(F)cc1 ZINC001605729642 972358939 /nfs/dbraw/zinc/35/89/39/972358939.db2.gz AIROKNROXMBHAJ-QGZVFWFLSA-N -1 0 341.313 3.674 20 0 EHADRM Cc1sc(NC(=O)c2cc(-c3ccccc3)[nH]n2)c(C(=O)[O-])c1C ZINC000391718180 972361461 /nfs/dbraw/zinc/36/14/61/972361461.db2.gz ATWWFZJAOOPWLI-UHFFFAOYSA-N -1 0 341.392 3.706 20 0 EHADRM Cc1ccc([C@@H]2C[C@H]2C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1C ZINC001594378409 958610120 /nfs/dbraw/zinc/61/01/20/958610120.db2.gz YHRNWAWUZZQUPU-WAOWUJCRSA-N -1 0 337.419 3.523 20 0 EHADRM Cc1ccc2c(Cl)c(C(=O)Nc3c[nH]nc3C(=O)[O-])sc2c1 ZINC001594382026 958639017 /nfs/dbraw/zinc/63/90/17/958639017.db2.gz OANKUEDDHUZMMQ-UHFFFAOYSA-N -1 0 335.772 3.537 20 0 EHADRM Cc1cc(Cl)c(NC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1Cl ZINC000128386237 958659914 /nfs/dbraw/zinc/65/99/14/958659914.db2.gz MPJRUDQRMMMIDB-VIFPVBQESA-N -1 0 331.199 3.630 20 0 EHADRM COc1cccc(N(CC(C)C)C(=O)/C=C/c2ccc(C(=O)[O-])o2)c1 ZINC001594130684 958662978 /nfs/dbraw/zinc/66/29/78/958662978.db2.gz OLNYMSBVEGMEGA-CSKARUKUSA-N -1 0 343.379 3.689 20 0 EHADRM Cc1ccc2oc(CN(Cc3ccco3)C(=O)[C@H](C)C(=O)[O-])cc2c1 ZINC001594385984 958668232 /nfs/dbraw/zinc/66/82/32/958668232.db2.gz NGYHYGWBRSRHDT-ZDUSSCGKSA-N -1 0 341.363 3.584 20 0 EHADRM COc1ccc(C[C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000128679809 958677143 /nfs/dbraw/zinc/67/71/43/958677143.db2.gz QBSYGBNPFAHVLY-CYBMUJFWSA-N -1 0 327.380 3.519 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC001573390980 958697640 /nfs/dbraw/zinc/69/76/40/958697640.db2.gz PQPDNHBQOJSGAH-QGZVFWFLSA-N -1 0 340.423 3.531 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)NCC1(c2cccc(Cl)c2)CCC1 ZINC001573391008 958698961 /nfs/dbraw/zinc/69/89/61/958698961.db2.gz QDVXGFWNCLNQDB-AWEZNQCLSA-N -1 0 337.847 3.625 20 0 EHADRM Cc1cccc([C@@H](NC(=O)Nc2nc(C3CCC3)cs2)C(=O)[O-])c1 ZINC001594394391 958756235 /nfs/dbraw/zinc/75/62/35/958756235.db2.gz SSVFDROHEANHKZ-CQSZACIVSA-N -1 0 345.424 3.666 20 0 EHADRM Cc1cccc([C@H](NCc2csc(-c3ccoc3)n2)C(=O)[O-])c1 ZINC001594398582 958807399 /nfs/dbraw/zinc/80/73/99/958807399.db2.gz YJULVZRBCBREIK-HNNXBMFYSA-N -1 0 328.393 3.627 20 0 EHADRM Cc1nc(C(F)(F)F)c(CN[C@@H](C(=O)[O-])c2cccc(C)c2)s1 ZINC001594399455 958829577 /nfs/dbraw/zinc/82/95/77/958829577.db2.gz IOQXUUZGMFAYAH-GFCCVEGCSA-N -1 0 344.358 3.694 20 0 EHADRM Cc1cccc(Cl)c1C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001594403648 958872093 /nfs/dbraw/zinc/87/20/93/958872093.db2.gz JXQQKRCULMNUBW-UKRRQHHQSA-N -1 0 329.783 3.691 20 0 EHADRM Cc1cccc([C@H]2CCN(C(=O)Nc3cccc(CC(=O)[O-])c3)C2)c1 ZINC001594409715 958938769 /nfs/dbraw/zinc/93/87/69/958938769.db2.gz QKPGKWNFHKIRPO-KRWDZBQOSA-N -1 0 338.407 3.644 20 0 EHADRM Cc1cccc2c1CCC[C@H]2NC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001594413002 958962678 /nfs/dbraw/zinc/96/26/78/958962678.db2.gz QCXFDIURTPVTPI-CRAIPNDOSA-N -1 0 344.455 3.659 20 0 EHADRM C[C@H](C(=O)N1CCC(C)(C(=O)[O-])CC1)c1ccc(C(F)(F)F)cc1 ZINC001588546547 959000120 /nfs/dbraw/zinc/00/01/20/959000120.db2.gz AVUHACZOHKXRBT-NSHDSACASA-N -1 0 343.345 3.522 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1cc2c(s1)-c1ccccc1CC2)C(=O)[O-] ZINC001573498743 959043695 /nfs/dbraw/zinc/04/36/95/959043695.db2.gz LQTVGBMYQDUUSP-OAHLLOKOSA-N -1 0 343.448 3.600 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N(C)C[C@@H](C)C1CCCCC1)C(=O)[O-] ZINC001573509394 959080799 /nfs/dbraw/zinc/08/07/99/959080799.db2.gz FGWJQVJSOQSMMR-ZBFHGGJFSA-N -1 0 326.481 3.591 20 0 EHADRM CC(C)C[C@@H](CNC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001573509433 959081136 /nfs/dbraw/zinc/08/11/36/959081136.db2.gz HWCWKPFUQGZYLM-GJZGRUSLSA-N -1 0 349.471 3.615 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000392084353 972407829 /nfs/dbraw/zinc/40/78/29/972407829.db2.gz XOCPCPNCXGSNRX-YLALRLGGSA-N -1 0 333.472 3.837 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(CC(=O)[O-])cc2)c(Br)c1 ZINC000160963153 959161222 /nfs/dbraw/zinc/16/12/22/959161222.db2.gz IOHFJNNBYWMTEU-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM CSc1c(F)cccc1NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001594189838 959163801 /nfs/dbraw/zinc/16/38/01/959163801.db2.gz VSDZYHFBWCGWIL-NSHDSACASA-N -1 0 340.420 3.656 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)Nc2cncc(C(=O)[O-])c2)cc1 ZINC001573539485 959184177 /nfs/dbraw/zinc/18/41/77/959184177.db2.gz MVLFRLIRLQJHJD-UHFFFAOYSA-N -1 0 326.396 3.550 20 0 EHADRM Cc1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccccc2)c(Br)c1 ZINC000161542692 959186363 /nfs/dbraw/zinc/18/63/63/959186363.db2.gz RSJFZCMFCHVDHH-OAHLLOKOSA-N -1 0 334.213 3.673 20 0 EHADRM CSCC[C@H](C)N(C)C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000161762590 959191607 /nfs/dbraw/zinc/19/16/07/959191607.db2.gz JBKUAJLWFXHFLN-VIFPVBQESA-N -1 0 330.837 3.644 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)NCC1(c2ccc(C(C)(C)C)cc2)CCCC1 ZINC001588572593 959192258 /nfs/dbraw/zinc/19/22/58/959192258.db2.gz LSJZWGUCIDLDIQ-AWEZNQCLSA-N -1 0 331.456 3.633 20 0 EHADRM CSc1ccccc1NC(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1 ZINC001594197983 959214482 /nfs/dbraw/zinc/21/44/82/959214482.db2.gz PZUCNPNSTGKEQM-OAHLLOKOSA-N -1 0 330.409 3.664 20 0 EHADRM CC(C)N(Cc1ccccc1F)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001573547535 959218348 /nfs/dbraw/zinc/21/83/48/959218348.db2.gz RNZXBPRILTVLDE-NTMALXAHSA-N -1 0 331.343 3.567 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)Nc1cc(Cl)ccc1NCc1ccccc1 ZINC001588576108 959230684 /nfs/dbraw/zinc/23/06/84/959230684.db2.gz NVOBCTGPTRHIPH-LLVKDONJSA-N -1 0 332.787 3.611 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c(Cl)c1 ZINC001573555091 959253636 /nfs/dbraw/zinc/25/36/36/959253636.db2.gz ZYVQBXVNSKBJPL-MNOVXSKESA-N -1 0 340.807 3.502 20 0 EHADRM Cc1nc(-c2ccccc2)ccc1C(=O)NCc1ccccc1C(=O)[O-] ZINC001594443535 959305713 /nfs/dbraw/zinc/30/57/13/959305713.db2.gz DVFSXPMKFQVNFU-UHFFFAOYSA-N -1 0 346.386 3.685 20 0 EHADRM C[C@@H](CC(=O)NCc1ccc(C(=O)[O-])cc1)c1c[nH]c2ccccc21 ZINC001573575024 959322399 /nfs/dbraw/zinc/32/23/99/959322399.db2.gz CBYXNSLXVIBBJM-ZDUSSCGKSA-N -1 0 336.391 3.676 20 0 EHADRM Cc1ccc(NC(=O)CCOc2ccc(Cl)cc2)c(C(=O)[O-])c1 ZINC000170577916 959416438 /nfs/dbraw/zinc/41/64/38/959416438.db2.gz MAQTXVBLVBKSLI-UHFFFAOYSA-N -1 0 333.771 3.754 20 0 EHADRM Cc1cccc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)c1Cl ZINC000178800713 959433105 /nfs/dbraw/zinc/43/31/05/959433105.db2.gz RTQWNHQWJFAOCC-HNNXBMFYSA-N -1 0 331.799 3.984 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000183966153 959461098 /nfs/dbraw/zinc/46/10/98/959461098.db2.gz XEUFHGOPGSMTQF-MNOVXSKESA-N -1 0 329.849 3.641 20 0 EHADRM Cc1nc2cc(F)ccc2cc1C(=O)Nc1sccc1C(=O)[O-] ZINC001594462612 959469374 /nfs/dbraw/zinc/46/93/74/959469374.db2.gz ADHLDUDILAJWDC-UHFFFAOYSA-N -1 0 330.340 3.694 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)N[C@H](C)c1cc(Cl)cc(Cl)c1F ZINC001573611146 959481017 /nfs/dbraw/zinc/48/10/17/959481017.db2.gz PBDICFWOGGZQNH-HQJQHLMTSA-N -1 0 336.190 3.667 20 0 EHADRM C[C@@H](NC(=O)C[C@@H]1C[C@H]1Cc1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001573616867 959496569 /nfs/dbraw/zinc/49/65/69/959496569.db2.gz OTGMNCWUUDUOPK-FWEDZOCSSA-N -1 0 343.467 3.507 20 0 EHADRM COc1ccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1C(=O)[O-] ZINC000190510079 959511557 /nfs/dbraw/zinc/51/15/57/959511557.db2.gz BEAKGIYVJVELTC-BZUAXINKSA-N -1 0 345.439 3.616 20 0 EHADRM Cc1ccc(SC2CCCC2)c(C(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000190483925 959512514 /nfs/dbraw/zinc/51/25/14/959512514.db2.gz SVXLJDCXJKDYGJ-AWEZNQCLSA-N -1 0 347.480 3.967 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCc1coc(-c2cccc(F)c2)n1 ZINC000392267254 972436128 /nfs/dbraw/zinc/43/61/28/972436128.db2.gz IIOCKIWKMOAWDW-UHFFFAOYSA-N -1 0 343.310 3.767 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)c1cc(-c2ccccn2)ccc1Cl)C(=O)[O-] ZINC000190821217 959524733 /nfs/dbraw/zinc/52/47/33/959524733.db2.gz CURJTSYMYDZRDP-BZNIZROVSA-N -1 0 346.814 3.631 20 0 EHADRM COc1cc(CNC(=O)c2cc(C)c(C)cc2Cl)ccc1C(=O)[O-] ZINC000191054028 959536941 /nfs/dbraw/zinc/53/69/41/959536941.db2.gz WJYDWBWDCOORAT-UHFFFAOYSA-N -1 0 347.798 3.594 20 0 EHADRM CCc1ccccc1OCC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000191427662 959566374 /nfs/dbraw/zinc/56/63/74/959566374.db2.gz YNFJHQXXELBWGH-AWEZNQCLSA-N -1 0 341.407 3.530 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)c1 ZINC000191616380 959585242 /nfs/dbraw/zinc/58/52/42/959585242.db2.gz LBDPBPDRQKVRJI-UHFFFAOYSA-N -1 0 341.697 3.892 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)c2ccc(C3CCC3)cc2)c1 ZINC000192876220 959594761 /nfs/dbraw/zinc/59/47/61/959594761.db2.gz NWURSUIRVOUTLR-UHFFFAOYSA-N -1 0 325.364 3.670 20 0 EHADRM CC[C@@H](CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccc(OC)cc1 ZINC000192913527 959596195 /nfs/dbraw/zinc/59/61/95/959596195.db2.gz VSVRUTPPGIESFF-HOTGVXAUSA-N -1 0 347.455 3.682 20 0 EHADRM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001573641163 959610743 /nfs/dbraw/zinc/61/07/43/959610743.db2.gz AWHZCALKRSHRQK-JTQLQIEISA-N -1 0 333.775 3.658 20 0 EHADRM C[C@@H](c1ccc(C(=O)Nc2cc(C(=O)[O-])ccn2)cc1)C(F)(F)F ZINC001573644444 959632814 /nfs/dbraw/zinc/63/28/14/959632814.db2.gz YJQLLKOJTXOXOS-VIFPVBQESA-N -1 0 338.285 3.698 20 0 EHADRM O=C([O-])c1ccc(SCc2ccc(CN3CCOCC3)cc2)cc1 ZINC000205152338 959658350 /nfs/dbraw/zinc/65/83/50/959658350.db2.gz FATPOYRORLMJGC-UHFFFAOYSA-N -1 0 343.448 3.509 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001573665214 959688808 /nfs/dbraw/zinc/68/88/08/959688808.db2.gz UBVZEDUKLGLPFA-RVZJWNSFSA-N -1 0 335.831 3.593 20 0 EHADRM CC1(C)CN(C(=O)c2coc(/C=C/C(=O)[O-])c2)[C@H]1c1ccccc1 ZINC001573675467 959721931 /nfs/dbraw/zinc/72/19/31/959721931.db2.gz KZEGKFRSRBKLNU-IJDCCNJMSA-N -1 0 325.364 3.601 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)C1(c2ccc(F)cc2)CCC1)C(=O)[O-] ZINC001588644724 959723101 /nfs/dbraw/zinc/72/31/01/959723101.db2.gz ATKIXCVWCZOLBC-HNNXBMFYSA-N -1 0 335.419 3.643 20 0 EHADRM Cc1c(NCC(C)(C)C)cccc1C(=O)N1CCC[C@@]1(C)C(=O)[O-] ZINC001594267304 959748922 /nfs/dbraw/zinc/74/89/22/959748922.db2.gz UUFQAUVDFUXDRO-IBGZPJMESA-N -1 0 332.444 3.532 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)c1cc2sccc2c(O)c1)C(=O)[O-] ZINC001588648801 959750614 /nfs/dbraw/zinc/75/06/14/959750614.db2.gz RFJYVVNRBMPOMH-LBPRGKRZSA-N -1 0 335.425 3.616 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C2(c3cccc(Cl)c3)CCCC2)C1 ZINC001573697642 959789202 /nfs/dbraw/zinc/78/92/02/959789202.db2.gz BBLNHCYJBMTWIF-UONOGXRCSA-N -1 0 349.858 3.721 20 0 EHADRM COc1cc(NC(=O)c2scc(C)c2Cl)ccc1C(=O)[O-] ZINC000227176758 959927589 /nfs/dbraw/zinc/92/75/89/959927589.db2.gz KGCWZQDSCHINHT-UHFFFAOYSA-N -1 0 325.773 3.669 20 0 EHADRM C[C@H](OC(=O)C1(C(=O)[O-])CCC1)c1ccc(F)c(C(F)(F)F)c1 ZINC001603271386 972482252 /nfs/dbraw/zinc/48/22/52/972482252.db2.gz HJMQLCYXCZQFNT-QMMMGPOBSA-N -1 0 334.265 3.704 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000232190494 960252089 /nfs/dbraw/zinc/25/20/89/960252089.db2.gz IWWYJTYJQXPMQA-SSDOTTSWSA-N -1 0 334.597 3.542 20 0 EHADRM Cc1c(Br)cccc1NC(=O)c1ccccc1C(=O)[O-] ZINC000232209557 960253492 /nfs/dbraw/zinc/25/34/92/960253492.db2.gz ICPMZHIYXATILJ-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM Cc1cccc(C)c1OCCC(=O)Nc1c(F)cccc1C(=O)[O-] ZINC000392496554 972490784 /nfs/dbraw/zinc/49/07/84/972490784.db2.gz HTSCLQXXKXOXTB-UHFFFAOYSA-N -1 0 331.343 3.548 20 0 EHADRM COc1ccc2ccc(OC(=O)[C@@]3(C(=O)[O-])CC=CCC3)cc2c1 ZINC001574227175 960405390 /nfs/dbraw/zinc/40/53/90/960405390.db2.gz QZTSNLHBBAKXJC-IBGZPJMESA-N -1 0 326.348 3.565 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1F ZINC000392673775 972509317 /nfs/dbraw/zinc/50/93/17/972509317.db2.gz NDUIXGMKSRWNFE-UHFFFAOYSA-N -1 0 335.350 3.818 20 0 EHADRM Cc1c(NCc2cccc3cccnc32)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000392750177 972517971 /nfs/dbraw/zinc/51/79/71/972517971.db2.gz QNWMZMSBQXSBLL-UHFFFAOYSA-N -1 0 337.335 3.762 20 0 EHADRM N#Cc1ccc(N2CCc3ccc(C(=O)[O-])cc3C2)cc1C(F)(F)F ZINC000392772170 972520991 /nfs/dbraw/zinc/52/09/91/972520991.db2.gz YKVDUJCNRGIHLJ-UHFFFAOYSA-N -1 0 346.308 3.838 20 0 EHADRM C[C@H](NC(=O)[C@@]1(C(=O)[O-])CC1(C)C)c1ccc(Cl)c(Cl)c1 ZINC001574286645 960663037 /nfs/dbraw/zinc/66/30/37/960663037.db2.gz VGNDORCWXXDPQY-VXJOIVPMSA-N -1 0 330.211 3.672 20 0 EHADRM C[C@H]1CC[C@@](C)(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)C1(C)C ZINC001574289742 960677902 /nfs/dbraw/zinc/67/79/02/960677902.db2.gz ROJMZIOTJFAZLL-RISOHXOYSA-N -1 0 329.440 3.659 20 0 EHADRM CC[C@@H](C)Oc1cc(Nc2cccc(CCC(=O)[O-])c2)nc(C)n1 ZINC001573776964 960698616 /nfs/dbraw/zinc/69/86/16/960698616.db2.gz UFWPMGKECXMAKI-GFCCVEGCSA-N -1 0 329.400 3.723 20 0 EHADRM CCCCC[C@H](NC(=O)c1cccc(Br)c1C)C(=O)[O-] ZINC000236672893 960730094 /nfs/dbraw/zinc/73/00/94/960730094.db2.gz MOZNJAXNVNMXIA-ZDUSSCGKSA-N -1 0 342.233 3.521 20 0 EHADRM CC(C)CCC(=O)N[C@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000236688488 960732878 /nfs/dbraw/zinc/73/28/78/960732878.db2.gz OCOXJKYAUNIVBA-CYBMUJFWSA-N -1 0 347.333 3.653 20 0 EHADRM CC(C)CCC[C@@H](C)NC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC000236702815 960736444 /nfs/dbraw/zinc/73/64/44/960736444.db2.gz JDKQVJWLQDHDRJ-CQSZACIVSA-N -1 0 343.427 3.515 20 0 EHADRM Cc1cc(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)c2nccc(C)c2c1 ZINC001574312750 960770923 /nfs/dbraw/zinc/77/09/23/960770923.db2.gz VMENZROGHBYQBQ-OAQYLSRUSA-N -1 0 348.402 3.581 20 0 EHADRM C[C@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1nc(C(C)(C)C)cs1 ZINC001261844055 960771326 /nfs/dbraw/zinc/77/13/26/960771326.db2.gz ZVJKJIAMFQMHDM-ZEBCKKTISA-N -1 0 348.424 3.622 20 0 EHADRM CCC[C@@H](NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000236843240 960772314 /nfs/dbraw/zinc/77/23/14/960772314.db2.gz PVYKPSBSQGDBQD-ZWNOBZJWSA-N -1 0 331.334 3.569 20 0 EHADRM CCCC[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])c1ccc(OC)cc1 ZINC000236844646 960772601 /nfs/dbraw/zinc/77/26/01/960772601.db2.gz MGVCJZLNXGYQNJ-MRXNPFEDSA-N -1 0 335.444 3.934 20 0 EHADRM CCC[C@@H](NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000236862811 960780155 /nfs/dbraw/zinc/78/01/55/960780155.db2.gz IBLSJDGVEAONSC-SJORKVTESA-N -1 0 343.448 3.890 20 0 EHADRM CCC(CC)(CNC(=O)[C@H](C)CSc1ccc(F)cc1)C(=O)[O-] ZINC000236865147 960783015 /nfs/dbraw/zinc/78/30/15/960783015.db2.gz KEDKFXCORWDGIG-GFCCVEGCSA-N -1 0 341.448 3.561 20 0 EHADRM CC[C@@H](C)[C@@H](C(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000236932724 960804560 /nfs/dbraw/zinc/80/45/60/960804560.db2.gz CESJPKMMVATSBM-AUUYWEPGSA-N -1 0 341.407 3.918 20 0 EHADRM CC[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])o2)CC[C@@H]1c1ccccc1 ZINC000236956105 960811541 /nfs/dbraw/zinc/81/15/41/960811541.db2.gz QGPVLLVIISDWHH-HIFRSBDPSA-N -1 0 327.380 3.634 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)CCCCc1nc2ccccc2s1)C(=O)[O-] ZINC000236998298 960830646 /nfs/dbraw/zinc/83/06/46/960830646.db2.gz CGFRSNUEBPFKHF-PXAZEXFGSA-N -1 0 348.468 3.625 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000237015019 960835609 /nfs/dbraw/zinc/83/56/09/960835609.db2.gz ARHHDLMSUJOKED-UHFFFAOYSA-N -1 0 337.847 3.766 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)CCCCc1nc2ccccc2s1 ZINC000237028945 960842204 /nfs/dbraw/zinc/84/22/04/960842204.db2.gz NIXCAPOOAJLSDN-CYBMUJFWSA-N -1 0 348.468 3.721 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)/C=C/c1ccc(Cl)cc1 ZINC000237051299 960854833 /nfs/dbraw/zinc/85/48/33/960854833.db2.gz AZRGPWIUAMEDGY-IZZDOVSWSA-N -1 0 329.783 3.710 20 0 EHADRM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC001573809095 960867563 /nfs/dbraw/zinc/86/75/63/960867563.db2.gz JMTWFZMCMBLHPF-KGLIPLIRSA-N -1 0 325.836 3.524 20 0 EHADRM COc1ccccc1CC(C)(C)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000237137077 960875843 /nfs/dbraw/zinc/87/58/43/960875843.db2.gz SEEVMGYMEKVFOB-UHFFFAOYSA-N -1 0 341.407 3.909 20 0 EHADRM CN(CC(=O)[O-])C(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000237171304 960880487 /nfs/dbraw/zinc/88/04/87/960880487.db2.gz PKICAZIYOVXTSC-UHFFFAOYSA-N -1 0 344.219 3.879 20 0 EHADRM COc1ccc(C[C@@H](C)C(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000237219062 960889944 /nfs/dbraw/zinc/88/99/44/960889944.db2.gz VWFZSNREVJZERS-CQSZACIVSA-N -1 0 341.407 3.530 20 0 EHADRM CC[C@@H](NC(=O)NCc1ccccc1C(=O)[O-])c1ccc(F)cc1F ZINC001573810692 960894176 /nfs/dbraw/zinc/89/41/76/960894176.db2.gz OLCNXLFWVMTZTD-MRXNPFEDSA-N -1 0 348.349 3.614 20 0 EHADRM COCc1ccc(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)cc1 ZINC000237251121 960895075 /nfs/dbraw/zinc/89/50/75/960895075.db2.gz PSLDVJWWOUXFHC-UHFFFAOYSA-N -1 0 341.388 3.998 20 0 EHADRM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC001573812536 960909531 /nfs/dbraw/zinc/90/95/31/960909531.db2.gz GEZDYVMRUNBEKM-AWEZNQCLSA-N -1 0 349.770 3.540 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC000237330937 960912957 /nfs/dbraw/zinc/91/29/57/960912957.db2.gz BUVWZCUWRHYGPF-NSHDSACASA-N -1 0 341.860 3.779 20 0 EHADRM Cc1cc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])cnc1C(F)F ZINC001574337887 960913445 /nfs/dbraw/zinc/91/34/45/960913445.db2.gz OGYPSFXCYVCGLE-LBPRGKRZSA-N -1 0 341.358 3.579 20 0 EHADRM CC[C@@H](OC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1cccc(Br)c1 ZINC001573813674 960916995 /nfs/dbraw/zinc/91/69/95/960916995.db2.gz ORHNIOHEDMRCCG-FRRDWIJNSA-N -1 0 341.201 3.554 20 0 EHADRM CC[C@@H](OC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccc(OC)cc1 ZINC001573813738 960919383 /nfs/dbraw/zinc/91/93/83/960919383.db2.gz QAEUIDYRFWLOPX-SLZMIMFISA-N -1 0 330.336 3.694 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N1CCc2ccc(F)cc21)C(=O)[O-] ZINC000237368533 960920180 /nfs/dbraw/zinc/92/01/80/960920180.db2.gz VSZPASWYLBYEIW-LLVKDONJSA-N -1 0 345.395 3.594 20 0 EHADRM CC[C@@H](OC(=O)c1coc(/C=C/C(=O)[O-])c1)c1ccc(OC)cc1 ZINC001573814095 960920453 /nfs/dbraw/zinc/92/04/53/960920453.db2.gz TZOWYUWMTBRGKY-ROJDOSBLSA-N -1 0 330.336 3.694 20 0 EHADRM C[C@H](CC(=O)N[C@H]1CCC[C@@H]1C(=O)[O-])c1ccccc1C(F)(F)F ZINC000237406111 960928809 /nfs/dbraw/zinc/92/88/09/960928809.db2.gz GMGGUOXVMOBWGO-OSMZGAPFSA-N -1 0 343.345 3.569 20 0 EHADRM Cc1cc(NC(=O)Nc2cccnc2OC(C)C)ccc1C(=O)[O-] ZINC001574341404 960940351 /nfs/dbraw/zinc/94/03/51/960940351.db2.gz QHWNGTKNNDGPMG-UHFFFAOYSA-N -1 0 329.356 3.519 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)c1ccccc1OCc1ccccc1Cl ZINC000237636637 960981678 /nfs/dbraw/zinc/98/16/78/960981678.db2.gz MNQYJNSLCRUSMA-GFCCVEGCSA-N -1 0 347.798 3.512 20 0 EHADRM Cc1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1C(=O)[O-] ZINC000237662993 960989692 /nfs/dbraw/zinc/98/96/92/960989692.db2.gz FYOXHGKURVWJDR-NSHDSACASA-N -1 0 333.771 3.753 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])C1(C)C ZINC000237669399 960991434 /nfs/dbraw/zinc/99/14/34/960991434.db2.gz HGHRKWOMJXBTAT-MWQQHZPXSA-N -1 0 329.440 3.803 20 0 EHADRM Cc1nc(C)c(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)s1 ZINC000237685377 960995971 /nfs/dbraw/zinc/99/59/71/960995971.db2.gz ODPCJVYQEAXNHM-UHFFFAOYSA-N -1 0 332.406 3.925 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2ccc(C(=O)[O-])cc2)cc1C ZINC000237713349 961005936 /nfs/dbraw/zinc/00/59/36/961005936.db2.gz LSEGDTCHYMOMAC-UHFFFAOYSA-N -1 0 327.380 3.799 20 0 EHADRM C[C@H]1CCc2sc(C(=O)N(C)Cc3ccc(C(=O)[O-])cc3)cc2C1 ZINC000237716369 961006165 /nfs/dbraw/zinc/00/61/65/961006165.db2.gz RVKUSWABDFGMHJ-LBPRGKRZSA-N -1 0 343.448 3.843 20 0 EHADRM Cc1ccc(NC(=O)c2csc(-c3ccco3)n2)cc1C(=O)[O-] ZINC000237727836 961009485 /nfs/dbraw/zinc/00/94/85/961009485.db2.gz SSVBPFRXUJUPHN-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001574357811 961010765 /nfs/dbraw/zinc/01/07/65/961010765.db2.gz YUUNICNEJNZZLA-ZBFHGGJFSA-N -1 0 335.444 3.501 20 0 EHADRM Cc1ccc2[nH]c(C(=O)NC3(C(=O)[O-])CCCCC3)c(Cl)c2c1 ZINC001323492305 961018130 /nfs/dbraw/zinc/01/81/30/961018130.db2.gz RKAHODKUHORHAZ-UHFFFAOYSA-N -1 0 334.803 3.647 20 0 EHADRM Cc1cccc([C@@H]2CCCCN2C(=O)c2ccnc(C(=O)[O-])c2)c1C ZINC000237789136 961024248 /nfs/dbraw/zinc/02/42/48/961024248.db2.gz NAFZFMUTHAWLTO-SFHVURJKSA-N -1 0 338.407 3.764 20 0 EHADRM CCCCC[C@H](NC(=O)c1cc(C)n(Cc2ccco2)c1C)C(=O)[O-] ZINC001324941083 961047194 /nfs/dbraw/zinc/04/71/94/961047194.db2.gz VEBYFZKWYGBYSQ-KRWDZBQOSA-N -1 0 346.427 3.510 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H]1NC(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000237945533 961050346 /nfs/dbraw/zinc/05/03/46/961050346.db2.gz NYXPTFPSAZVYOJ-DOTOQJQBSA-N -1 0 345.345 3.615 20 0 EHADRM CCC[C@H](CCc1ccccc1)NC(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001573835918 961050776 /nfs/dbraw/zinc/05/07/76/961050776.db2.gz KLDATWOZDGLSPP-OAHLLOKOSA-N -1 0 341.411 3.703 20 0 EHADRM O=C([O-])c1cc(NC(=O)Cc2ccccc2)ccc1N1CCCCC1 ZINC001326105029 961071395 /nfs/dbraw/zinc/07/13/95/961071395.db2.gz NEGZGGWLCFQOGL-UHFFFAOYSA-N -1 0 338.407 3.556 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2C[C@H]3CCCC[C@]32c2ccccc2)o1 ZINC000238014259 961075941 /nfs/dbraw/zinc/07/59/41/961075941.db2.gz NLMKFQSJFGFGNR-KUHUBIRLSA-N -1 0 325.364 3.519 20 0 EHADRM Cc1ccc(NC(=O)c2coc(/C=C/C(=O)[O-])c2)cc1OC(F)F ZINC001574374751 961084052 /nfs/dbraw/zinc/08/40/52/961084052.db2.gz ADLLORBKTZONIA-SNAWJCMRSA-N -1 0 337.278 3.540 20 0 EHADRM Cc1ccc(Oc2ccccc2CNC(=O)[C@@H](C(=O)[O-])C2CC2)cc1 ZINC001574377898 961096475 /nfs/dbraw/zinc/09/64/75/961096475.db2.gz BVFIDMBGDIEZKG-SFHVURJKSA-N -1 0 339.391 3.514 20 0 EHADRM CCCCOc1ccc(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC001573848426 961109044 /nfs/dbraw/zinc/10/90/44/961109044.db2.gz DURFSOZGIGGDJG-RRQGHBQHSA-N -1 0 347.455 3.731 20 0 EHADRM Cc1ccc2[nH]cc(CCNC(=O)Nc3cccc(C(=O)[O-])c3)c2c1 ZINC001574382724 961120627 /nfs/dbraw/zinc/12/06/27/961120627.db2.gz YEQLMRUCVJEPRB-UHFFFAOYSA-N -1 0 337.379 3.539 20 0 EHADRM Cc1cccc([C@H](NC(=O)C[C@H](C)c2ccc(F)cc2F)C(=O)[O-])c1 ZINC001574387100 961136593 /nfs/dbraw/zinc/13/65/93/961136593.db2.gz DMGVGTVLPQXXJI-SGTLLEGYSA-N -1 0 347.361 3.709 20 0 EHADRM Cc1cccc(-c2nsc(N[C@H](Cc3ccccc3)C(=O)[O-])n2)c1 ZINC001574389147 961155524 /nfs/dbraw/zinc/15/55/24/961155524.db2.gz LJGWUEHGDFIYOL-OAHLLOKOSA-N -1 0 339.420 3.621 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2cc3c(ccc(C)c3C)[nH]2)C(=O)[O-])c1 ZINC001574390964 961179162 /nfs/dbraw/zinc/17/91/62/961179162.db2.gz GSHJXPBQGYILEZ-GOSISDBHSA-N -1 0 336.391 3.649 20 0 EHADRM CC(C)(C)c1nc2ccc(NC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)cc2s1 ZINC001588748127 961190274 /nfs/dbraw/zinc/19/02/74/961190274.db2.gz QHFUEBBBFSBRLI-HOMQSWHASA-N -1 0 347.440 3.579 20 0 EHADRM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001574401751 961237017 /nfs/dbraw/zinc/23/70/17/961237017.db2.gz CQNVHQANRVCTCA-KLHDSHLOSA-N -1 0 329.440 3.545 20 0 EHADRM CC(C)(CCNC(=O)C(C)(C)c1cccc2ccccc21)C(=O)[O-] ZINC001588767630 961247707 /nfs/dbraw/zinc/24/77/07/961247707.db2.gz NPVBTZUXDDQTMG-UHFFFAOYSA-N -1 0 327.424 3.735 20 0 EHADRM Cc1c(C(=O)N2CCC(CC(=O)[O-])CC2)sc2cccc(F)c12 ZINC000261840140 961395152 /nfs/dbraw/zinc/39/51/52/961395152.db2.gz YPPGITLUUUCBOZ-UHFFFAOYSA-N -1 0 335.400 3.676 20 0 EHADRM O=C([O-])C1(CNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)CCCCC1 ZINC000261948360 961400643 /nfs/dbraw/zinc/40/06/43/961400643.db2.gz VZCWPNARRBMIIK-VXGBXAGGSA-N -1 0 335.366 3.506 20 0 EHADRM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC000262083218 961443085 /nfs/dbraw/zinc/44/30/85/961443085.db2.gz BRNYZXHPBJGZHW-QAPCUYQASA-N -1 0 337.419 3.640 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC000262083214 961443382 /nfs/dbraw/zinc/44/33/82/961443382.db2.gz BRNYZXHPBJGZHW-MAUKXSAKSA-N -1 0 337.419 3.640 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCc2ccc(-c3ccccc3)cc2C1 ZINC001588803544 961451119 /nfs/dbraw/zinc/45/11/19/961451119.db2.gz DROIWVJKANAOLC-LJQANCHMSA-N -1 0 337.419 3.595 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N(CC1CCCCC1)C1CC1 ZINC000262102528 961459552 /nfs/dbraw/zinc/45/95/52/961459552.db2.gz DQKHVXRTWXZUDU-UHFFFAOYSA-N -1 0 329.440 3.889 20 0 EHADRM CSc1cc(C(=O)N[C@@H](CC2CC2)C(=O)[O-])c(Cl)cc1Cl ZINC000262144463 961497492 /nfs/dbraw/zinc/49/74/92/961497492.db2.gz APFNZSNLPJPOKX-NSHDSACASA-N -1 0 348.251 3.698 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)CCc1ccccc1C(=O)[O-])C1CC1 ZINC000262150863 961502062 /nfs/dbraw/zinc/50/20/62/961502062.db2.gz JLKBMVICEQLJAD-FQEVSTJZSA-N -1 0 337.419 3.893 20 0 EHADRM CCC[C@H](NC(=O)Cc1ccccc1C(=O)[O-])c1ccc(F)cc1F ZINC000262195348 961542145 /nfs/dbraw/zinc/54/21/45/961542145.db2.gz RLGUWCFOBFNGRI-KRWDZBQOSA-N -1 0 347.361 3.863 20 0 EHADRM CC[C@](C)(NC(=O)c1ccc(C2SCCCS2)cc1)C(=O)[O-] ZINC000262220868 961564798 /nfs/dbraw/zinc/56/47/98/961564798.db2.gz VJLQVXWRVDOFRL-INIZCTEOSA-N -1 0 339.482 3.538 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)C1(Cc3ccccc3)CCC1)CC2 ZINC000262229196 961573235 /nfs/dbraw/zinc/57/32/35/961573235.db2.gz SDYYHKCXGQGGCM-UHFFFAOYSA-N -1 0 349.430 3.683 20 0 EHADRM CN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC001573979285 961750430 /nfs/dbraw/zinc/75/04/30/961750430.db2.gz DFKJFRVDDUXXLM-OWSLCNJRSA-N -1 0 344.455 3.608 20 0 EHADRM CC(C)C1CCC(NC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)CC1 ZINC001588841297 961802694 /nfs/dbraw/zinc/80/26/94/961802694.db2.gz JRUNMMNLQBTYMR-PVARCSIZSA-N -1 0 344.455 3.595 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)NCc2c(Cl)oc3ccccc32)o1 ZINC001574513678 961826470 /nfs/dbraw/zinc/82/64/70/961826470.db2.gz LLOMHRDJJNPBDA-VURMDHGXSA-N -1 0 345.738 3.707 20 0 EHADRM COc1cc(C)c(NC(=O)CCc2ccc(C(=O)[O-])cc2)c(C)c1C ZINC000262754399 961851502 /nfs/dbraw/zinc/85/15/02/961851502.db2.gz ABOGRLGQAFXBAO-UHFFFAOYSA-N -1 0 341.407 3.890 20 0 EHADRM O=C([O-])[C@H](NC(=O)CC/C=C\c1ccccc1)c1ccc(F)cc1 ZINC001574524417 961869236 /nfs/dbraw/zinc/86/92/36/961869236.db2.gz NHWLBMKQNDXALL-MPYGFJLXSA-N -1 0 327.355 3.561 20 0 EHADRM CN(C[C@H]1CC1(C)C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001573998865 961871614 /nfs/dbraw/zinc/87/16/14/961871614.db2.gz JJLWHWJYOXDCMB-MRVPVSSYSA-N -1 0 328.771 3.687 20 0 EHADRM Cc1ccsc1CCNC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000262798191 961873441 /nfs/dbraw/zinc/87/34/41/961873441.db2.gz MBARIDXYNXSPOB-GFCCVEGCSA-N -1 0 349.477 3.594 20 0 EHADRM CC(C)C[C@@H](CNC(=O)[C@@H](c1ccncc1)C1CCCCC1)C(=O)[O-] ZINC001588847428 961901003 /nfs/dbraw/zinc/90/10/03/961901003.db2.gz RKFAQXKBKNDIEG-ZWKOTPCHSA-N -1 0 346.471 3.609 20 0 EHADRM Cc1cccc(-c2cncc(C(=O)NC3(CC(=O)[O-])CCCC3)c2)c1 ZINC000262842553 961910419 /nfs/dbraw/zinc/91/04/19/961910419.db2.gz GZMLLXDHKHIHQR-UHFFFAOYSA-N -1 0 338.407 3.574 20 0 EHADRM CC[C@H](CC(=O)Nc1ccc(C(=O)[O-])c(OC)c1)c1ccccc1 ZINC000262852881 961919782 /nfs/dbraw/zinc/91/97/82/961919782.db2.gz DIYWRIVAMMSRKI-CYBMUJFWSA-N -1 0 327.380 3.916 20 0 EHADRM CCC1(CC)CN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c2ccccc21 ZINC000262888581 961963951 /nfs/dbraw/zinc/96/39/51/961963951.db2.gz GPRIBPLWLOFPOU-SHTZXODSSA-N -1 0 329.440 3.982 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000262995145 962086173 /nfs/dbraw/zinc/08/61/73/962086173.db2.gz VSOGHJQLPKEVLK-IAGOWNOFSA-N -1 0 343.810 3.589 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000263013805 962116364 /nfs/dbraw/zinc/11/63/64/962116364.db2.gz XCXGULKLBZQOLZ-UHFFFAOYSA-N -1 0 338.473 3.514 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2F)c(F)c1 ZINC001574600191 962159795 /nfs/dbraw/zinc/15/97/95/962159795.db2.gz UPEZUEAFQJCNSQ-CZUORRHYSA-N -1 0 346.333 3.671 20 0 EHADRM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cc1 ZINC000263041028 962163518 /nfs/dbraw/zinc/16/35/18/962163518.db2.gz DAKVZOMZMHIDNN-KBPBESRZSA-N -1 0 327.380 3.589 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2cccc(Oc3ccccc3)c2)C1 ZINC000263051850 962185067 /nfs/dbraw/zinc/18/50/67/962185067.db2.gz DZWDRBKHFXQOCD-HXUWFJFHSA-N -1 0 339.391 3.806 20 0 EHADRM COCc1cc(NC(=O)c2cc(C)n(C(C)C)c2C)cc(C(=O)[O-])c1 ZINC000263070324 962211828 /nfs/dbraw/zinc/21/18/28/962211828.db2.gz JOIKRPLLXDEUMF-UHFFFAOYSA-N -1 0 344.411 3.783 20 0 EHADRM CCC[C@H](C(=O)N1CCCC[C@H]1c1ccc(C(=O)[O-])n1C)C(C)C ZINC001344591535 962212855 /nfs/dbraw/zinc/21/28/55/962212855.db2.gz DYTBCSJOJJLWGA-HOCLYGCPSA-N -1 0 334.460 3.849 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)N[C@H](CC(F)(F)F)C(=O)[O-])cc1 ZINC000263080068 962222958 /nfs/dbraw/zinc/22/29/58/962222958.db2.gz UTQCHLAZCMCCFV-SMDDNHRTSA-N -1 0 345.361 3.825 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccccc1OC(C)C)CC(=O)[O-] ZINC001588894384 962223176 /nfs/dbraw/zinc/22/31/76/962223176.db2.gz PIMJJUPCFAXQME-AWEZNQCLSA-N -1 0 336.432 3.732 20 0 EHADRM Cc1ccsc1C(=O)N[C@@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC000263115499 962267559 /nfs/dbraw/zinc/26/75/59/962267559.db2.gz RWBBJFAWKYHSGX-ZBFHGGJFSA-N -1 0 343.448 3.750 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(C(=O)C(C2CC2)C2CC2)CC1 ZINC000263166554 962319489 /nfs/dbraw/zinc/31/94/89/962319489.db2.gz YKSTWQKEVPLLEG-UHFFFAOYSA-N -1 0 341.451 3.602 20 0 EHADRM CC(C)Cn1ncc(NC(=O)c2coc(/C=C/C(=O)[O-])c2)c1C(C)C ZINC001588911806 962323383 /nfs/dbraw/zinc/32/33/83/962323383.db2.gz ZVBONBPKUWBCOM-AATRIKPKSA-N -1 0 345.399 3.606 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)C(C)(C)Oc2ccc(F)cc2)c1 ZINC000263171389 962323790 /nfs/dbraw/zinc/32/37/90/962323790.db2.gz FZPUZPIOXXJGHQ-GFCCVEGCSA-N -1 0 345.370 3.810 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](C(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)C1 ZINC001346236950 962328846 /nfs/dbraw/zinc/32/88/46/962328846.db2.gz DKZHZZWGDUOZRQ-GUTXKFCHSA-N -1 0 349.839 3.718 20 0 EHADRM CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000263179089 962332672 /nfs/dbraw/zinc/33/26/72/962332672.db2.gz GYJPIVARHIGQDH-WBMJQRKESA-N -1 0 345.370 3.810 20 0 EHADRM C[C@H](CC(F)(F)F)C(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC001346336764 962350779 /nfs/dbraw/zinc/35/07/79/962350779.db2.gz JTYITKSIDVKYER-QMTHXVAHSA-N -1 0 339.313 3.670 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1cc(C(C)C)on1 ZINC000263203621 962358437 /nfs/dbraw/zinc/35/84/37/962358437.db2.gz VLCQWJVQELOJMK-UHFFFAOYSA-N -1 0 332.356 3.536 20 0 EHADRM COc1c(C)cc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cc1C ZINC000263322595 962465794 /nfs/dbraw/zinc/46/57/94/962465794.db2.gz NYQREBHPMFDHCC-ZDUSSCGKSA-N -1 0 327.380 3.752 20 0 EHADRM Cc1cccc(OCCCC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c1 ZINC000263334862 962483938 /nfs/dbraw/zinc/48/39/38/962483938.db2.gz QQBJSZKULDCIFC-OAHLLOKOSA-N -1 0 341.407 3.981 20 0 EHADRM CC(C)Oc1ccccc1CC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000263340426 962489743 /nfs/dbraw/zinc/48/97/43/962489743.db2.gz RSOGPWHWBXQCCB-CQSZACIVSA-N -1 0 341.407 3.843 20 0 EHADRM O=C([O-])[C@H]1CN(Cc2csc(-c3ccoc3)n2)Cc2ccccc21 ZINC001574661917 962494440 /nfs/dbraw/zinc/49/44/40/962494440.db2.gz UKMCKCKIJDTRRA-INIZCTEOSA-N -1 0 340.404 3.587 20 0 EHADRM CCOc1ccc(CCC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cc1 ZINC000263363662 962522162 /nfs/dbraw/zinc/52/21/62/962522162.db2.gz ZDFKHRYXKMLFFH-CQSZACIVSA-N -1 0 341.407 3.845 20 0 EHADRM CC(C)Oc1ccc(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)c(F)c1 ZINC001588940494 962524620 /nfs/dbraw/zinc/52/46/20/962524620.db2.gz MKXHBLJPTWHRFE-VMPITWQZSA-N -1 0 333.315 3.556 20 0 EHADRM O=C([O-])c1ccnc(C(=O)N2CCC[C@@H]2CCC2CCCCC2)c1 ZINC000263380419 962537334 /nfs/dbraw/zinc/53/73/34/962537334.db2.gz CHNCWBKYOOYGQJ-MRXNPFEDSA-N -1 0 330.428 3.745 20 0 EHADRM Cc1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c(F)c1Cl ZINC000263398447 962559654 /nfs/dbraw/zinc/55/96/54/962559654.db2.gz FYWPDQHBRWVKRZ-LLVKDONJSA-N -1 0 327.783 3.505 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)C1(Cc2ccccc2Cl)CC1 ZINC001574677926 962563013 /nfs/dbraw/zinc/56/30/13/962563013.db2.gz DUYQPVJCOIJEJZ-AWEZNQCLSA-N -1 0 335.831 3.519 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)CC2(C(F)(F)F)CC2)cc1 ZINC001350769530 962581278 /nfs/dbraw/zinc/58/12/78/962581278.db2.gz XAULQFSGMSFEJF-UHFFFAOYSA-N -1 0 329.318 3.720 20 0 EHADRM CC(C)c1cc(NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)nc(C(C)C)n1 ZINC001588962512 962626306 /nfs/dbraw/zinc/62/63/06/962626306.db2.gz HXHWNKNXRXVJBP-BIWSTMPVSA-N -1 0 347.459 3.548 20 0 EHADRM O=C([O-])c1ccc(CNc2ccccc2OC[C@@H]2CCCCO2)cc1 ZINC000263492461 962676502 /nfs/dbraw/zinc/67/65/02/962676502.db2.gz ROTNGSZURQFYPS-KRWDZBQOSA-N -1 0 341.407 3.945 20 0 EHADRM O=C([O-])CC1CC(Nc2ccc(NC(=O)N3CCCCCC3)cc2)C1 ZINC001353922601 962680641 /nfs/dbraw/zinc/68/06/41/962680641.db2.gz PBYBVUKIVAUPQL-UHFFFAOYSA-N -1 0 345.443 3.760 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)CC2CC(OC(C)(C)C)C2)cc1 ZINC001354027676 962689549 /nfs/dbraw/zinc/68/95/49/962689549.db2.gz OAIICFWIIGDGPQ-BDVYOWHSSA-N -1 0 347.455 3.611 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)C2(Cc3ccccc3F)CC2)c1 ZINC000263528299 962710698 /nfs/dbraw/zinc/71/06/98/962710698.db2.gz LEBDVNSOZBEEHZ-UHFFFAOYSA-N -1 0 341.382 3.804 20 0 EHADRM Cc1ccc2c(C(=O)N3C[C@@H]4CCC[C@H]4[C@H]3C(=O)[O-])csc2c1 ZINC000263531916 962712774 /nfs/dbraw/zinc/71/27/74/962712774.db2.gz MXYAWHNXYQQAFO-OZVIIMIRSA-N -1 0 329.421 3.535 20 0 EHADRM CC(C)Oc1ccc(N(C)C(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000263582356 962748341 /nfs/dbraw/zinc/74/83/41/962748341.db2.gz YNGIKTLHYBQBKW-UHFFFAOYSA-N -1 0 341.407 3.768 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1cc(Cl)ccc1OCC1CCC1 ZINC000263583323 962750997 /nfs/dbraw/zinc/75/09/97/962750997.db2.gz ZURYFLKHXGFCJX-QWHCGFSZSA-N -1 0 337.803 3.568 20 0 EHADRM CC(C)n1ncc2cc(NC(=O)c3coc(/C=C/C(=O)[O-])c3)ccc21 ZINC001588988665 962785658 /nfs/dbraw/zinc/78/56/58/962785658.db2.gz ZUCWEDSHVOTCNQ-GQCTYLIASA-N -1 0 339.351 3.560 20 0 EHADRM COc1cc(NC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)cc2ccccc21 ZINC001574186042 962833658 /nfs/dbraw/zinc/83/36/58/962833658.db2.gz IAYWKAJDPHTTEP-TZMCWYRMSA-N -1 0 342.395 3.565 20 0 EHADRM COc1ccc(C2CC2)c(NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC001574206273 962912329 /nfs/dbraw/zinc/91/23/29/962912329.db2.gz SOBLJAAPSYDVFY-ZDUSSCGKSA-N -1 0 346.427 3.681 20 0 EHADRM COc1ccc(N(C)C(=O)Nc2cccc(C(=O)[O-])c2)cc1Cl ZINC001574217060 962942084 /nfs/dbraw/zinc/94/20/84/962942084.db2.gz KZZPZNVJPHTNEQ-UHFFFAOYSA-N -1 0 334.759 3.715 20 0 EHADRM CC(C)C[C@H](C)Nc1cc(I)cc(C(=O)[O-])c1 ZINC000304589218 963151678 /nfs/dbraw/zinc/15/16/78/963151678.db2.gz RUJHPLBNZHMYHC-VIFPVBQESA-N -1 0 347.196 3.836 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N[C@H]2CCCC23CCCCC3)cc1 ZINC000313045571 963616018 /nfs/dbraw/zinc/61/60/18/963616018.db2.gz MOGUMCKJESKZPO-INIZCTEOSA-N -1 0 330.428 3.687 20 0 EHADRM O=C([O-])c1sc(Sc2ccc3c(c2)OCCCO3)nc1Cl ZINC000314050893 963704228 /nfs/dbraw/zinc/70/42/28/963704228.db2.gz OTSRKPJFRWDFJC-UHFFFAOYSA-N -1 0 343.813 3.807 20 0 EHADRM CC(C)N(C)c1ccc(N[C@H](C)c2ncc(C(=O)[O-])s2)cc1F ZINC000314912029 963828636 /nfs/dbraw/zinc/82/86/36/963828636.db2.gz GPKPFWKPYXSEPF-SNVBAGLBSA-N -1 0 337.420 3.998 20 0 EHADRM O=C([O-])c1ccc(F)c(COc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000315768516 963934445 /nfs/dbraw/zinc/93/44/45/963934445.db2.gz JKWJJRAGZGRKOE-UHFFFAOYSA-N -1 0 325.679 3.665 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)COc1ccc(F)c(Cl)c1 ZINC000013275123 967494861 /nfs/dbraw/zinc/49/48/61/967494861.db2.gz YZJMRZFUGHYKJI-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM CC(C)C[C@@H](NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000236576995 967779373 /nfs/dbraw/zinc/77/93/73/967779373.db2.gz WIDWJWDXRSWVRC-HZSPNIEDSA-N -1 0 344.238 3.712 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1nc(-c2ccccc2)oc1C1CC1 ZINC000238167497 967787864 /nfs/dbraw/zinc/78/78/64/967787864.db2.gz IXSCUFNAASXVRQ-UHFFFAOYSA-N -1 0 342.395 3.594 20 0 EHADRM COc1ccc(CCCC(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC000262336898 967817435 /nfs/dbraw/zinc/81/74/35/967817435.db2.gz BZIDOYALUZVOOD-UHFFFAOYSA-N -1 0 341.407 3.674 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000263154780 967855559 /nfs/dbraw/zinc/85/55/59/967855559.db2.gz OBIVBEXJWLTXRU-ZBFHGGJFSA-N -1 0 333.428 3.723 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccccc2SC(F)F)CC[C@@H]1C(=O)[O-] ZINC000324267754 968030199 /nfs/dbraw/zinc/03/01/99/968030199.db2.gz KQHOYBLYGKEBNC-ZJUUUORDSA-N -1 0 344.383 3.576 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)C1 ZINC000324857344 968035665 /nfs/dbraw/zinc/03/56/65/968035665.db2.gz GVNZGOQKTIMSIP-IBGZPJMESA-N -1 0 328.412 3.502 20 0 EHADRM Cc1sc(-c2ccco2)nc1C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000325663779 968039576 /nfs/dbraw/zinc/03/95/76/968039576.db2.gz FKGSTMOBBCXTAQ-UHFFFAOYSA-N -1 0 348.424 3.619 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)Nc2c(F)cccc2Cl)Cc2ccccc21 ZINC000326177144 968042175 /nfs/dbraw/zinc/04/21/75/968042175.db2.gz LFRPHPQEGQKCOS-LBPRGKRZSA-N -1 0 348.761 3.695 20 0 EHADRM CCCN(CCc1cccs1)C(=O)NCC(CC)(CC)C(=O)[O-] ZINC000424433308 968367314 /nfs/dbraw/zinc/36/73/14/968367314.db2.gz RNSAAUDLLGDVKU-UHFFFAOYSA-N -1 0 340.489 3.603 20 0 EHADRM CC[C@H](NC(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1cc(C)ccc1C ZINC000529224544 968394499 /nfs/dbraw/zinc/39/44/99/968394499.db2.gz DZRADZOBIIQDRK-RDJZCZTQSA-N -1 0 332.444 3.651 20 0 EHADRM O=C([O-])[C@H]1CCN(Cc2ccc(C(F)(F)F)cn2)c2ccccc21 ZINC000577845389 968465818 /nfs/dbraw/zinc/46/58/18/968465818.db2.gz CCCHUHYFDVHQOM-AWEZNQCLSA-N -1 0 336.313 3.679 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(Oc2cccc(F)c2)cc1)C(=O)[O-] ZINC000582439249 968478071 /nfs/dbraw/zinc/47/80/71/968478071.db2.gz BVJUFVIXPNGNLZ-HNNXBMFYSA-N -1 0 332.331 3.603 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cccc(OC3CCCC3)c2)C[C@@H]1C(=O)[O-] ZINC000584530275 968483375 /nfs/dbraw/zinc/48/33/75/968483375.db2.gz UFSNJAAJGUQLIY-DYVFJYSZSA-N -1 0 346.427 3.583 20 0 EHADRM C[C@@H](CNC(=O)N[C@@H](C)c1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000655865480 968697045 /nfs/dbraw/zinc/69/70/45/968697045.db2.gz IIMTVPGNHAFKNI-KBPBESRZSA-N -1 0 342.395 3.560 20 0 EHADRM O=C([O-])C1(C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)CC=CC1 ZINC000663029353 968761473 /nfs/dbraw/zinc/76/14/73/968761473.db2.gz KLVMLNVCLFXRSS-LJQANCHMSA-N -1 0 347.414 3.582 20 0 EHADRM CC(C)N(Cc1ccc(F)cc1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000666566215 968846129 /nfs/dbraw/zinc/84/61/29/968846129.db2.gz JPVRVZKSBTXCTF-UHFFFAOYSA-N -1 0 344.386 3.644 20 0 EHADRM O=C([O-])[C@@H]1CCCN1C(=O)Nc1ccc(OCC2CCCCC2)cc1 ZINC000679556600 968866651 /nfs/dbraw/zinc/86/66/51/968866651.db2.gz YYVTWKZCEGJHBE-KRWDZBQOSA-N -1 0 346.427 3.727 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)CC1CCC(C(F)(F)F)CC1 ZINC000683326321 968871785 /nfs/dbraw/zinc/87/17/85/968871785.db2.gz UZMVHCHDVSGOOU-BPCQOVAHSA-N -1 0 335.366 3.601 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000817872659 969183490 /nfs/dbraw/zinc/18/34/90/969183490.db2.gz QPZDWTKXYFMGAJ-HRBSJZOISA-N -1 0 345.439 3.589 20 0 EHADRM CCC(CC)(CNC(=O)c1cc2sccc2nc1Cl)C(=O)[O-] ZINC000851695507 969279609 /nfs/dbraw/zinc/27/96/09/969279609.db2.gz HCVQSFYZFKVJPE-UHFFFAOYSA-N -1 0 340.832 3.571 20 0 EHADRM O=C([O-])C1CCC(NC(=O)c2cc(Cl)cc(Cl)c2F)CC1 ZINC000901480339 969434151 /nfs/dbraw/zinc/43/41/51/969434151.db2.gz CRPCKZNEMBNLBJ-UHFFFAOYSA-N -1 0 334.174 3.506 20 0 EHADRM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC000901600008 969446202 /nfs/dbraw/zinc/44/62/02/969446202.db2.gz UHDFSLDKJLIYRS-PFBXESSKSA-N -1 0 343.354 3.535 20 0 EHADRM O=C([O-])c1cccc(NC(=O)Nc2ccc([C@H]3CCOC3)cc2)c1 ZINC001574599833 969865653 /nfs/dbraw/zinc/86/56/53/969865653.db2.gz MGKGUOVEBBYSPL-AWEZNQCLSA-N -1 0 326.352 3.533 20 0 EHADRM COc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)c(C(=O)[O-])c1 ZINC000318958817 970492331 /nfs/dbraw/zinc/49/23/31/970492331.db2.gz UFGIZHSLPYHJLG-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM O=C([O-])c1cc(OCc2ccc(F)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000319018807 970497019 /nfs/dbraw/zinc/49/70/19/970497019.db2.gz DAUFVUAEXWFJLI-UHFFFAOYSA-N -1 0 325.679 3.665 20 0 EHADRM C[C@H]1CCN(C(=O)CCc2ccc(Cl)cc2Cl)[C@@H](C(=O)[O-])C1 ZINC000319081098 970501863 /nfs/dbraw/zinc/50/18/63/970501863.db2.gz BPPULMSRNBYAQX-IINYFYTJSA-N -1 0 344.238 3.638 20 0 EHADRM CCc1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)c(C(=O)[O-])c1 ZINC000319595790 970551119 /nfs/dbraw/zinc/55/11/19/970551119.db2.gz XFWXWWYWIARKMN-UHFFFAOYSA-N -1 0 339.178 3.901 20 0 EHADRM Cc1ccccc1OCCC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000319649281 970557883 /nfs/dbraw/zinc/55/78/83/970557883.db2.gz RIABVXCWAOMFPL-UHFFFAOYSA-N -1 0 333.771 3.754 20 0 EHADRM Cc1ccc(NC(=O)COc2ccc(Cl)c(C)c2)c(C(=O)[O-])c1 ZINC000319886990 970585778 /nfs/dbraw/zinc/58/57/78/970585778.db2.gz AMADCRPAQKHRRJ-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)c2cccc(Cl)c2F)c1F ZINC000320060409 970609166 /nfs/dbraw/zinc/60/91/66/970609166.db2.gz CDXRQZWDFXBMMF-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)c2ccc(Cl)c(F)c2)c1F ZINC000320195621 970629110 /nfs/dbraw/zinc/62/91/10/970629110.db2.gz QFTUATLGHOZFKA-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2cc3c(s2)CCCC3)CCCCC1 ZINC000320241095 970635688 /nfs/dbraw/zinc/63/56/88/970635688.db2.gz AWTHTPGWSLNNLN-UHFFFAOYSA-N -1 0 335.469 3.782 20 0 EHADRM COc1ccc(Cl)cc1C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000320472885 970668387 /nfs/dbraw/zinc/66/83/87/970668387.db2.gz CUWYYYQPZKMXNL-UHFFFAOYSA-N -1 0 339.819 3.504 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F)c1ccsc1 ZINC000320494246 970671016 /nfs/dbraw/zinc/67/10/16/970671016.db2.gz CXULYBHSXILFLX-ZETCQYMHSA-N -1 0 326.324 3.607 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F)c1ccsc1 ZINC000320494245 970671346 /nfs/dbraw/zinc/67/13/46/970671346.db2.gz CXULYBHSXILFLX-SSDOTTSWSA-N -1 0 326.324 3.607 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc3c(s2)CCCCCC3)nc1 ZINC000320767004 970712225 /nfs/dbraw/zinc/71/22/25/970712225.db2.gz GUQDZCTZFOHSPI-UHFFFAOYSA-N -1 0 330.409 3.753 20 0 EHADRM Cc1sc(NC(=O)c2nccc3ccccc32)c(C(=O)[O-])c1C ZINC000321085439 970742640 /nfs/dbraw/zinc/74/26/40/970742640.db2.gz FIGVUGJOEFKVQD-UHFFFAOYSA-N -1 0 326.377 3.864 20 0 EHADRM C[C@@H](c1ncc(-c2ccc(Cl)c(Cl)c2)o1)N(C)CC(=O)[O-] ZINC001603287805 972540954 /nfs/dbraw/zinc/54/09/54/972540954.db2.gz VQHNQMBYABDMLP-QMMMGPOBSA-N -1 0 329.183 3.726 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccccc1C(=O)[O-])Oc1ccc(Cl)cc1 ZINC001604978947 972568022 /nfs/dbraw/zinc/56/80/22/972568022.db2.gz FXDJGUVDWPQQJF-NSHDSACASA-N -1 0 348.786 3.627 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC001604157580 972570982 /nfs/dbraw/zinc/57/09/82/972570982.db2.gz NMWYFVIUFUNPEH-UHFFFAOYSA-N -1 0 332.322 3.510 20 0 EHADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1ccccc1NCCC1=CCCCC1 ZINC001605839589 972575472 /nfs/dbraw/zinc/57/54/72/972575472.db2.gz WDLUAEUIBAWWJK-WKILWMFISA-N -1 0 342.439 3.582 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)Nc2csc(-c3ccccc3)n2)CC1 ZINC001603301142 972575762 /nfs/dbraw/zinc/57/57/62/972575762.db2.gz CPAXJGWJSJCCCZ-UHFFFAOYSA-N -1 0 345.424 3.529 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H](c2ccccn2)C2CCC2)c(F)c1 ZINC001605846979 972590670 /nfs/dbraw/zinc/59/06/70/972590670.db2.gz ILCCRUKMBCMGRR-INIZCTEOSA-N -1 0 343.358 3.582 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NCCc1csc2ccccc12 ZINC001603311587 972605490 /nfs/dbraw/zinc/60/54/90/972605490.db2.gz BJPWBABUTAUFLR-UHFFFAOYSA-N -1 0 345.464 3.697 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)CCC3)c2ccccc21 ZINC001605857225 972606264 /nfs/dbraw/zinc/60/62/64/972606264.db2.gz DPMPHAJUMNZRAH-ZWKOTPCHSA-N -1 0 336.391 3.610 20 0 EHADRM CC1(C)C[C@H](NC(=O)C2(C(=O)[O-])CCCCC2)c2ccc(F)cc2O1 ZINC001603315543 972624932 /nfs/dbraw/zinc/62/49/32/972624932.db2.gz FLHXWYGXQBJYLE-AWEZNQCLSA-N -1 0 349.402 3.579 20 0 EHADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Nc1cccc(Oc2ccccc2F)c1 ZINC001605023189 972631733 /nfs/dbraw/zinc/63/17/33/972631733.db2.gz JOZFFSHBGFBHBI-ZMZPIMSZSA-N -1 0 329.327 3.667 20 0 EHADRM CC1(C)CCc2ccccc2[C@H](NC(=O)c2ccc(C(=O)[O-])cn2)C1 ZINC001603329563 972695265 /nfs/dbraw/zinc/69/52/65/972695265.db2.gz SAQNNXCSVAJGCJ-QGZVFWFLSA-N -1 0 338.407 3.613 20 0 EHADRM Cc1c(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cnc2ccccc12 ZINC001605076523 972704982 /nfs/dbraw/zinc/70/49/82/972704982.db2.gz DMSVPAZVQKINCG-LPHOPBHVSA-N -1 0 346.386 3.586 20 0 EHADRM C[C@@]1(CC(=O)N2CCCc3cc(C(=O)[O-])ccc32)CC1(Cl)Cl ZINC001603339328 972719113 /nfs/dbraw/zinc/71/91/13/972719113.db2.gz AZZLGIDZVBVXHH-OAHLLOKOSA-N -1 0 342.222 3.638 20 0 EHADRM C[C@@H]1[C@@H](C(=O)N2CCCc3cc(C(=O)[O-])ccc32)[C@H]1c1ccccc1 ZINC001603354200 972788189 /nfs/dbraw/zinc/78/81/89/972788189.db2.gz GJJLPOGEFNFABI-MJXNMMHHSA-N -1 0 335.403 3.714 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)c2cccc3ccsc32)c1 ZINC000395444513 972799270 /nfs/dbraw/zinc/79/92/70/972799270.db2.gz RJKCKZPLXDNWFJ-UHFFFAOYSA-N -1 0 327.361 3.617 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CCC(C(F)(F)F)CC2)cc1 ZINC000396351344 972862325 /nfs/dbraw/zinc/86/23/25/972862325.db2.gz CRQKVYVCNDEUFP-SNVBAGLBSA-N -1 0 344.333 3.681 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccccc2CCC(F)(F)F)CC=CC1 ZINC001605942435 972893871 /nfs/dbraw/zinc/89/38/71/972893871.db2.gz XNMSYMBLXSWEHJ-UHFFFAOYSA-N -1 0 327.302 3.541 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NC[C@H]2CCCCC2(F)F)cc1 ZINC000396508017 972909956 /nfs/dbraw/zinc/90/99/56/972909956.db2.gz QUNAHLNDLHBOHD-DGCLKSJQSA-N -1 0 340.370 3.822 20 0 EHADRM Cc1cc(NC(=O)c2cc(N(C)C)nc3ccccc32)ccc1C(=O)[O-] ZINC001605207426 972950877 /nfs/dbraw/zinc/95/08/77/972950877.db2.gz VSVQIMZCDGQVQN-UHFFFAOYSA-N -1 0 349.390 3.560 20 0 EHADRM Cc1ccc(C(C)(C)CNC(=O)NC[C@@H](CC(C)C)C(=O)[O-])c(C)c1 ZINC001605256299 973025150 /nfs/dbraw/zinc/02/51/50/973025150.db2.gz RHZNRESEJNXKAR-MRXNPFEDSA-N -1 0 348.487 3.627 20 0 EHADRM C[C@@H]1CC[C@](C)(/C=C\C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1(C)C ZINC001603395552 973032961 /nfs/dbraw/zinc/03/29/61/973032961.db2.gz ZZHOQTGKNUPFGX-COFMVTJLSA-N -1 0 333.472 3.574 20 0 EHADRM O=C([O-])[C@@H]1CCCN(c2ccc(CN3CCCc4ccccc43)o2)C1 ZINC001605997267 973063810 /nfs/dbraw/zinc/06/38/10/973063810.db2.gz AXTRFILTOOERNY-MRXNPFEDSA-N -1 0 340.423 3.533 20 0 EHADRM Cc1ccc(SC[C@@H](C)NC(=O)C2(C(=O)[O-])CCCCC2)cc1 ZINC001605307299 973124838 /nfs/dbraw/zinc/12/48/38/973124838.db2.gz OOMISEUNLPAVCE-CQSZACIVSA-N -1 0 335.469 3.627 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)C[C@H]1C(=O)[O-] ZINC001603425101 973142704 /nfs/dbraw/zinc/14/27/04/973142704.db2.gz DOOXGNSOYKFZCB-WCBMZHEXSA-N -1 0 349.736 3.542 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccccc2COC(C)(C)C)C[C@H]1C(=O)[O-] ZINC001603425505 973149820 /nfs/dbraw/zinc/14/98/20/973149820.db2.gz QARDLCFGIOOFLY-DZGCQCFKSA-N -1 0 348.443 3.576 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)co1 ZINC001606063898 973195753 /nfs/dbraw/zinc/19/57/53/973195753.db2.gz VEKYOBTYNGIYHL-PJZFAXFVSA-N -1 0 339.391 3.519 20 0 EHADRM Cc1cccc([C@@H]2CCN(C(=O)Nc3ccccc3CC(=O)[O-])C2)c1 ZINC001605335197 973215253 /nfs/dbraw/zinc/21/52/53/973215253.db2.gz DTMMGOPIBBNJDH-QGZVFWFLSA-N -1 0 338.407 3.644 20 0 EHADRM Cc1cccc(C2(NC(=O)Nc3cccnc3C(=O)[O-])CCCC2)c1 ZINC001605335536 973218337 /nfs/dbraw/zinc/21/83/37/973218337.db2.gz GUDUNPCLQZWAGT-UHFFFAOYSA-N -1 0 339.395 3.679 20 0 EHADRM Cc1cccc2cc(C(=O)N3CCC[C@@H](C)[C@H]3C(=O)[O-])c(Cl)nc12 ZINC001605349703 973247114 /nfs/dbraw/zinc/24/71/14/973247114.db2.gz BAGFJXJLGFRDCR-ABAIWWIYSA-N -1 0 346.814 3.522 20 0 EHADRM O=C([O-])c1cc(NC(=O)NC[C@H]2CC3CCC2CC3)ccc1Cl ZINC000400083299 973251171 /nfs/dbraw/zinc/25/11/71/973251171.db2.gz PPJPUHWONSIBMK-HTAVTVPLSA-N -1 0 336.819 3.986 20 0 EHADRM CC(C)=CCC[C@@H](C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000400756201 973312814 /nfs/dbraw/zinc/31/28/14/973312814.db2.gz GCWOZUDQBGMKQR-CRAIPNDOSA-N -1 0 329.440 3.797 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)CCSc1ccc(C)c(C)c1)C(=O)[O-] ZINC000400755884 973312926 /nfs/dbraw/zinc/31/29/26/973312926.db2.gz XJFVTRGAXLSWIQ-LRDDRELGSA-N -1 0 337.485 3.791 20 0 EHADRM O=C([O-])CCCCC(=O)Oc1cc(Br)ccc1Cl ZINC001606146429 973404839 /nfs/dbraw/zinc/40/48/39/973404839.db2.gz ZCVIHGOINGYTNX-UHFFFAOYSA-N -1 0 335.581 3.653 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)NCc1ccccc1C(=O)[O-] ZINC001603515825 973524196 /nfs/dbraw/zinc/52/41/96/973524196.db2.gz HBLAWSOZIUKRJV-CQSZACIVSA-N -1 0 341.407 3.594 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Oc1cc(C)ccc1Br ZINC001603527084 973573716 /nfs/dbraw/zinc/57/37/16/973573716.db2.gz TWKBTKMKEAWTBB-UHFFFAOYSA-N -1 0 329.190 3.554 20 0 EHADRM CC[C@@H](CC(F)(F)F)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000402516248 973616785 /nfs/dbraw/zinc/61/67/85/973616785.db2.gz LHARLNAUHGZSRW-LURJTMIESA-N -1 0 325.233 3.580 20 0 EHADRM CC[C@@H](CNC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)CC(F)(F)F ZINC000402862360 973654889 /nfs/dbraw/zinc/65/48/89/973654889.db2.gz ZTZADGITQVUOLR-LLVKDONJSA-N -1 0 346.349 3.505 20 0 EHADRM CC[C@@H](CNC(=O)NCC1(c2ccccc2)CCCCCC1)C(=O)[O-] ZINC001603560637 973672311 /nfs/dbraw/zinc/67/23/11/973672311.db2.gz DSCQWXQCOXJUBN-INIZCTEOSA-N -1 0 346.471 3.689 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)NCC(C2CCC2)C2CCC2)c1 ZINC001606311068 973722659 /nfs/dbraw/zinc/72/26/59/973722659.db2.gz KITVRTAVTUETFN-UHFFFAOYSA-N -1 0 330.428 3.652 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1sccc1-c1ccccc1)CC1CC1 ZINC000405257509 973805918 /nfs/dbraw/zinc/80/59/18/973805918.db2.gz LPGQFZDYSURNTD-AWEZNQCLSA-N -1 0 329.421 3.646 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC001603600582 973841550 /nfs/dbraw/zinc/84/15/50/973841550.db2.gz NOOUBTKGJFTHGG-GLKRBJQHSA-N -1 0 341.860 3.608 20 0 EHADRM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(-c2cccc3cccnc32)cc1 ZINC001606453498 973897669 /nfs/dbraw/zinc/89/76/69/973897669.db2.gz QLAGRMFNXWZFFQ-GOSISDBHSA-N -1 0 346.386 3.591 20 0 EHADRM CC[C@@H]1c2ccccc2CCN1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001603628084 973943371 /nfs/dbraw/zinc/94/33/71/973943371.db2.gz CORBDRNRUOOFCK-GOSISDBHSA-N -1 0 338.407 3.604 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)NCCCCCC(=O)[O-])C2)cc1 ZINC000414630862 973943858 /nfs/dbraw/zinc/94/38/58/973943858.db2.gz UWVDCKCHIRBUPT-DOTOQJQBSA-N -1 0 332.444 3.527 20 0 EHADRM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)c1cc(C(=O)[O-])ccn1 ZINC000416411831 973950272 /nfs/dbraw/zinc/95/02/72/973950272.db2.gz AVEVMGBMWBSBBY-QGZVFWFLSA-N -1 0 326.396 3.558 20 0 EHADRM CCC[C@@H](NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)C1CCCC1 ZINC001603634181 973968517 /nfs/dbraw/zinc/96/85/17/973968517.db2.gz ZMICTIBSXHDQHE-ZWKOTPCHSA-N -1 0 344.455 3.739 20 0 EHADRM CCCC1CCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)CC1 ZINC001603635725 973970637 /nfs/dbraw/zinc/97/06/37/973970637.db2.gz IYXAFUGGRKRGRN-IRXDYDNUSA-N -1 0 330.428 3.521 20 0 EHADRM COc1ccc([C@H](NC(=O)c2cc(C)cc(C(=O)[O-])c2)C2CC2)cc1 ZINC001604772361 973992364 /nfs/dbraw/zinc/99/23/64/973992364.db2.gz ISLJTVKSFNKFBF-GOSISDBHSA-N -1 0 339.391 3.583 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)c1ccc(Cl)c2ncccc12 ZINC001606523333 974029015 /nfs/dbraw/zinc/02/90/15/974029015.db2.gz KJUDWZWZQCIXHL-UHFFFAOYSA-N -1 0 340.766 3.516 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2CCCC[C@@H]2C)cc1 ZINC000425245585 974040713 /nfs/dbraw/zinc/04/07/13/974040713.db2.gz USDSHYMMFJSRSE-RCBQFDQVSA-N -1 0 335.469 3.867 20 0 EHADRM O=C([O-])[C@H](NCc1ncc(-c2ccccc2)s1)c1cccs1 ZINC000426795429 974047431 /nfs/dbraw/zinc/04/74/31/974047431.db2.gz XVJNCCSVTFPTOY-OAHLLOKOSA-N -1 0 330.434 3.787 20 0 EHADRM O=C([O-])[C@@H](NCc1csc(-c2ccsc2)n1)c1ccccc1F ZINC000426776593 974048026 /nfs/dbraw/zinc/04/80/26/974048026.db2.gz ZCAINAWYUVZYDA-AWEZNQCLSA-N -1 0 348.424 3.926 20 0 EHADRM O=C([O-])[C@H](NCc1cc(F)ccc1Br)c1cccs1 ZINC000426811191 974048670 /nfs/dbraw/zinc/04/86/70/974048670.db2.gz LPAQDKQADWRCCC-GFCCVEGCSA-N -1 0 344.205 3.565 20 0 EHADRM CCCN(Cc1ccc(F)cc1)C(=O)C1(C(=O)[O-])C(C)(C)C1(C)C ZINC001603672861 974053782 /nfs/dbraw/zinc/05/37/82/974053782.db2.gz YCPRLHNZLLAOCO-UHFFFAOYSA-N -1 0 335.419 3.701 20 0 EHADRM Cc1cccc2cc(C(=O)N3C[C@@H](c4ccccc4)[C@H](C(=O)[O-])C3)oc21 ZINC000427701496 974056938 /nfs/dbraw/zinc/05/69/38/974056938.db2.gz KUDULPJVQLEBCG-DLBZAZTESA-N -1 0 349.386 3.682 20 0 EHADRM O=C([O-])CN(CCc1ccccc1)C(=O)c1ccc2sccc2c1 ZINC000427749933 974058926 /nfs/dbraw/zinc/05/89/26/974058926.db2.gz WBBKKWFPLUYQMV-UHFFFAOYSA-N -1 0 339.416 3.671 20 0 EHADRM C[C@H](C(=O)[O-])N(C)C(=O)c1cc2c(s1)-c1ccccc1C(C)(C)C2 ZINC000427987196 974060340 /nfs/dbraw/zinc/06/03/40/974060340.db2.gz JXRAMSUCDZEHJS-LLVKDONJSA-N -1 0 343.448 3.794 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)Nc2ccc(C(F)(F)F)cc2)o1 ZINC001605667604 974066287 /nfs/dbraw/zinc/06/62/87/974066287.db2.gz FYBFBCYQCDWPKS-VURMDHGXSA-N -1 0 325.242 3.649 20 0 EHADRM CCCC[C@H](NC(=O)C1(c2ccc(F)cc2F)CCCC1)C(=O)[O-] ZINC000431997775 974082805 /nfs/dbraw/zinc/08/28/05/974082805.db2.gz CBYPPGNLNUYAML-HNNXBMFYSA-N -1 0 339.382 3.536 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N[C@]3(C)CCCC[C@H]3C(=O)[O-])cc2c1C ZINC000432123602 974090382 /nfs/dbraw/zinc/09/03/82/974090382.db2.gz VPYDNTFHLFTQRK-IFXJQAMLSA-N -1 0 328.412 3.548 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2Cc3ccccc3C[C@@H]2c2ccccc2)o1 ZINC000432130766 974091488 /nfs/dbraw/zinc/09/14/88/974091488.db2.gz SUBCNAIUAWKLHK-QGZVFWFLSA-N -1 0 347.370 3.918 20 0 EHADRM Cc1[nH]c2ccc(C(=O)N[C@]3(C)CCCC[C@@H]3C(=O)[O-])cc2c1C ZINC000432137437 974092940 /nfs/dbraw/zinc/09/29/40/974092940.db2.gz DPADCKLBRVEFQY-DNVCBOLYSA-N -1 0 328.412 3.548 20 0 EHADRM O=C([O-])COc1ccc(/C=C\c2ncc(Br)s2)cc1 ZINC000434633791 974096220 /nfs/dbraw/zinc/09/62/20/974096220.db2.gz LPFZXVGNLTVSAP-UTCJRWHESA-N -1 0 340.198 3.539 20 0 EHADRM Cc1cccc([C@@H](C)C(=O)N[C@@](C)(CC(=O)[O-])c2cccc(F)c2)c1 ZINC000448986995 974126544 /nfs/dbraw/zinc/12/65/44/974126544.db2.gz ABWLYCKOOMZQHG-VLIAUNLRSA-N -1 0 343.398 3.744 20 0 EHADRM Cc1cccc(C(=O)N[C@@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])c1Cl ZINC000455907044 974166182 /nfs/dbraw/zinc/16/61/82/974166182.db2.gz ACZRGJYZRUCNDT-XJKSGUPXSA-N -1 0 345.826 3.710 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC2CCC(c3ccccc3)CC2)c(F)c1 ZINC000478824081 974208503 /nfs/dbraw/zinc/20/85/03/974208503.db2.gz NBBQSAZAPONZLS-UHFFFAOYSA-N -1 0 341.382 3.980 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(CC2CCC2)c2ccccc2)c(F)c1 ZINC000478856632 974213126 /nfs/dbraw/zinc/21/31/26/974213126.db2.gz NPGCLHSTXKRWND-UHFFFAOYSA-N -1 0 327.355 3.971 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000486049493 974243480 /nfs/dbraw/zinc/24/34/80/974243480.db2.gz BGYOWCRYLNZWEK-DOXZYTNZSA-N -1 0 339.435 3.931 20 0 EHADRM CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000516547249 974306541 /nfs/dbraw/zinc/30/65/41/974306541.db2.gz WQGFIYZHBMNETR-UHFFFAOYSA-N -1 0 347.436 3.525 20 0 EHADRM Cc1cc([C@H](C)N2CCO[C@@H](c3ccc(F)c(C)c3)C2)oc1C(=O)[O-] ZINC000516481712 974307025 /nfs/dbraw/zinc/30/70/25/974307025.db2.gz LDCBFBHWAHDWJE-SUMWQHHRSA-N -1 0 347.386 3.868 20 0 EHADRM Cc1ccc(C(C)(C)C)cc1S([O-])=CC(=O)NCc1cccs1 ZINC000107960029 1014185141 /nfs/dbraw/zinc/18/51/41/1014185141.db2.gz XZALNCCFRRBULG-HSZRJFAPSA-N -1 0 349.521 3.778 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)CC1CCC(C(F)(F)F)CC1)C(=O)[O-] ZINC000518774737 974325434 /nfs/dbraw/zinc/32/54/34/974325434.db2.gz CYIRNAVWYKGCFO-XVSSEFHLSA-N -1 0 337.382 3.751 20 0 EHADRM CC(C)(c1ccccc1)C1(NC(=O)Cc2cccc(C(=O)[O-])c2)CC1 ZINC000520612416 974340354 /nfs/dbraw/zinc/34/03/54/974340354.db2.gz CRFCDTRFKOSUFT-UHFFFAOYSA-N -1 0 337.419 3.554 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1nc2ccccc2n1C(F)F ZINC000530180060 974364557 /nfs/dbraw/zinc/36/45/57/974364557.db2.gz QGOQMTGWBRRZSV-ZSBIGDGJSA-N -1 0 337.370 3.505 20 0 EHADRM COc1ccc2cc(C(=O)Nc3cc(C(=O)[O-])c(C)cc3C)[nH]c2c1 ZINC000530459807 974365953 /nfs/dbraw/zinc/36/59/53/974365953.db2.gz GHXBXCNGUJOGMZ-UHFFFAOYSA-N -1 0 338.363 3.744 20 0 EHADRM CCC[C@@](C)(NC(=O)Cc1coc2ccc3ccccc3c12)C(=O)[O-] ZINC000532259002 974373787 /nfs/dbraw/zinc/37/37/87/974373787.db2.gz GYWSPIFGVHFIRZ-HXUWFJFHSA-N -1 0 339.391 3.888 20 0 EHADRM Cc1ccc(CCCCC(=O)NCCc2cccc(C(=O)[O-])c2)cc1 ZINC000537475325 974385380 /nfs/dbraw/zinc/38/53/80/974385380.db2.gz YMENIIUCNQZQSD-UHFFFAOYSA-N -1 0 339.435 3.765 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)CCCOc1ccc(Cl)cc1 ZINC000540673581 974405736 /nfs/dbraw/zinc/40/57/36/974405736.db2.gz ZVKCOKCPHJAFKJ-UHFFFAOYSA-N -1 0 341.835 3.649 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)C/C=C\c1cccc(F)c1)CC2 ZINC000540776921 974409231 /nfs/dbraw/zinc/40/92/31/974409231.db2.gz ROFXSLPTGRHUGI-RQOWECAXSA-N -1 0 339.366 3.512 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)C(F)(F)c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001603920486 974415269 /nfs/dbraw/zinc/41/52/69/974415269.db2.gz KRGBHLTUKNKDLP-FZMZJTMJSA-N -1 0 341.398 3.691 20 0 EHADRM CCc1c(C(=O)Nc2ccc(C(=O)[O-])cc2F)cnn1CCC(C)C ZINC001603966706 974441353 /nfs/dbraw/zinc/44/13/53/974441353.db2.gz MHJHWGNDHOCEEM-UHFFFAOYSA-N -1 0 347.390 3.581 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cnc2ccsc2c1 ZINC000562402557 974506732 /nfs/dbraw/zinc/50/67/32/974506732.db2.gz MYQDRZNNXCDRJS-UHFFFAOYSA-N -1 0 326.377 3.864 20 0 EHADRM CCC[C@H]1CN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CCO1 ZINC000563279903 974525950 /nfs/dbraw/zinc/52/59/50/974525950.db2.gz IABMKKQQPQFVAK-FZMZJTMJSA-N -1 0 332.227 3.620 20 0 EHADRM C[C@H](NC(=O)c1cccc(C2CC2)c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000563425006 974531055 /nfs/dbraw/zinc/53/10/55/974531055.db2.gz UQAFHBGKOCLDCZ-LIRRHRJNSA-N -1 0 337.419 3.626 20 0 EHADRM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[C@H](C)CC(=O)[O-] ZINC000563422399 974531136 /nfs/dbraw/zinc/53/11/36/974531136.db2.gz FZGNDXIAYSOHSN-JTQLQIEISA-N -1 0 332.227 3.843 20 0 EHADRM CCCc1nc(C)c(CN(CC(=O)[O-])Cc2ccc(Cl)cc2)o1 ZINC000563816392 974540345 /nfs/dbraw/zinc/54/03/45/974540345.db2.gz DQFFZCHFQMGSOC-UHFFFAOYSA-N -1 0 336.819 3.676 20 0 EHADRM O=C([O-])c1ccc(CN2CCO[C@@H](c3ccccc3Cl)C2)c(F)c1 ZINC000564660094 974551464 /nfs/dbraw/zinc/55/14/64/974551464.db2.gz AKJNSUQUFXRETO-QGZVFWFLSA-N -1 0 349.789 3.751 20 0 EHADRM CC(C)(C)c1cccc(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000565224558 974573836 /nfs/dbraw/zinc/57/38/36/974573836.db2.gz IMOROGYBIJRFFG-KRWDZBQOSA-N -1 0 325.408 3.582 20 0 EHADRM O=C([O-])[C@@H](c1ccsc1)N1CCC(OCCc2ccccc2)CC1 ZINC000565425843 974581766 /nfs/dbraw/zinc/58/17/66/974581766.db2.gz IBVQVHDLTODGAW-GOSISDBHSA-N -1 0 345.464 3.598 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000568294781 974668058 /nfs/dbraw/zinc/66/80/58/974668058.db2.gz BVCJJINAWCGNOU-DJJJIMSYSA-N -1 0 329.371 3.532 20 0 EHADRM CC(C)COc1ccc(C(C)(C)NC(=O)C[C@@H](C)CC(=O)[O-])cc1 ZINC000571581618 974732490 /nfs/dbraw/zinc/73/24/90/974732490.db2.gz ORMQYYBZKQXUGD-CQSZACIVSA-N -1 0 335.444 3.574 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)[C@@H]2CCc3ccccc3C2)cc1)C(=O)[O-] ZINC000572008619 974740058 /nfs/dbraw/zinc/74/00/58/974740058.db2.gz XKITTZIVGLBZCP-KBXCAEBGSA-N -1 0 337.419 3.693 20 0 EHADRM CCCc1ccc(-c2nc(NC(=O)C3(C(=O)[O-])CC3)sc2C)cc1 ZINC000572068716 974741083 /nfs/dbraw/zinc/74/10/83/974741083.db2.gz NPCIGZYZQKTDOW-UHFFFAOYSA-N -1 0 344.436 3.874 20 0 EHADRM Cn1c2ccccc2nc1[C@H]1CCCN1Cc1csc(C(=O)[O-])c1 ZINC000572296019 974745324 /nfs/dbraw/zinc/74/53/24/974745324.db2.gz JURSQPJXPWEZAF-OAHLLOKOSA-N -1 0 341.436 3.670 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000573534495 974767243 /nfs/dbraw/zinc/76/72/43/974767243.db2.gz QGCTYOSJZGLQPC-BEVDRBHNSA-N -1 0 347.414 3.583 20 0 EHADRM C[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC(C)(C)O1 ZINC000575874910 974803409 /nfs/dbraw/zinc/80/34/09/974803409.db2.gz LYXPLYBIXBHRLF-NOZJJQNGSA-N -1 0 332.227 3.618 20 0 EHADRM Cc1ccc(Nc2ccccc2C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)cc1 ZINC000578719541 974860402 /nfs/dbraw/zinc/86/04/02/974860402.db2.gz PIIKYRHFDKTXKR-HOCLYGCPSA-N -1 0 338.407 3.674 20 0 EHADRM COc1ccc(OCCCN2CC[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000578746510 974861116 /nfs/dbraw/zinc/86/11/16/974861116.db2.gz ZSFZEYDDGTVWJG-SFHVURJKSA-N -1 0 341.407 3.543 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(NCCC[C@@H]3CCCCO3)c12 ZINC000580775926 974900081 /nfs/dbraw/zinc/90/00/81/974900081.db2.gz IVLPGUOCLQKQLD-LBPRGKRZSA-N -1 0 349.456 3.768 20 0 EHADRM Cc1cccc(C(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)c1Cl ZINC000582847517 974932115 /nfs/dbraw/zinc/93/21/15/974932115.db2.gz SRCIGKXVVWSSCW-LJQANCHMSA-N -1 0 343.810 3.517 20 0 EHADRM Cc1cc([C@H](C)N2CCO[C@](C)(c3ccccc3)C2)oc1C(=O)[O-] ZINC000583636240 974943886 /nfs/dbraw/zinc/94/38/86/974943886.db2.gz OIDFDXLKIGPKDZ-LIRRHRJNSA-N -1 0 329.396 3.595 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@H](Cc1ccccc1)c1cccs1 ZINC000583763571 974945372 /nfs/dbraw/zinc/94/53/72/974945372.db2.gz CSSGUSVOIIIHPR-DZGCQCFKSA-N -1 0 331.437 3.649 20 0 EHADRM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)c1cccc(C(C)(C)C)c1 ZINC000583945044 974948367 /nfs/dbraw/zinc/94/83/67/974948367.db2.gz FLFQEYYMIUNGKP-HNNXBMFYSA-N -1 0 349.471 3.574 20 0 EHADRM Cc1ccc(CN(C)[C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)o1 ZINC000584236996 974952174 /nfs/dbraw/zinc/95/21/74/974952174.db2.gz GSSNYTQQCMNTMR-CQSZACIVSA-N -1 0 327.302 3.865 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2cccc(-c3ccoc3)c2)CC1 ZINC000584566713 974956672 /nfs/dbraw/zinc/95/66/72/974956672.db2.gz HVVLTFQNXTUFHI-UHFFFAOYSA-N -1 0 327.380 3.664 20 0 EHADRM CCSCc1ccc(NC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000600964905 975012507 /nfs/dbraw/zinc/01/25/07/975012507.db2.gz HNWPKFBUJFDNSE-DOMZBBRYSA-N -1 0 336.457 3.514 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)c(C)n1CC(F)(F)F ZINC000621539845 975029309 /nfs/dbraw/zinc/02/93/09/975029309.db2.gz NYFNOCRNFPVLTR-UHFFFAOYSA-N -1 0 340.301 3.618 20 0 EHADRM Cc1ccc2cc(Cl)cc(C(=O)N3CCCCC[C@H]3C(=O)[O-])c2n1 ZINC000621570316 975036205 /nfs/dbraw/zinc/03/62/05/975036205.db2.gz UHYUDTLOMXITDN-HNNXBMFYSA-N -1 0 346.814 3.666 20 0 EHADRM O=C([O-])CN(C(=O)c1cc2c(ccc3ccccc23)[nH]1)C1CCCC1 ZINC000621575505 975037691 /nfs/dbraw/zinc/03/76/91/975037691.db2.gz AURHFCZILRUEQD-UHFFFAOYSA-N -1 0 336.391 3.791 20 0 EHADRM C[C@H](CCC(=O)N1CCc2c(cccc2C(=O)[O-])C1)c1ccccc1 ZINC000621580064 975041463 /nfs/dbraw/zinc/04/14/63/975041463.db2.gz LHCWEYIOJHGPJD-OAHLLOKOSA-N -1 0 337.419 3.853 20 0 EHADRM CCc1cc(C)c(C(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)o1 ZINC000621589390 975047320 /nfs/dbraw/zinc/04/73/20/975047320.db2.gz VCJQXTDVONZDCP-HOTGVXAUSA-N -1 0 327.380 3.581 20 0 EHADRM C[C@@H](NC(=O)C[C@H]1CCCc2ccccc21)c1ncc(C(=O)[O-])s1 ZINC000621611137 975060011 /nfs/dbraw/zinc/06/00/11/975060011.db2.gz XREXAUPIOGPXAC-DGCLKSJQSA-N -1 0 344.436 3.529 20 0 EHADRM C[C@H](NC(=O)C[C@@H]1CCCc2ccccc21)c1ncc(C(=O)[O-])s1 ZINC000621611136 975060157 /nfs/dbraw/zinc/06/01/57/975060157.db2.gz XREXAUPIOGPXAC-AAEUAGOBSA-N -1 0 344.436 3.529 20 0 EHADRM O=C([O-])c1ccc(F)c2c1CN(c1nc(C(F)(F)F)cs1)CC2 ZINC000629384284 975092936 /nfs/dbraw/zinc/09/29/36/975092936.db2.gz LTVHCEDQJFXNRP-UHFFFAOYSA-N -1 0 346.305 3.562 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)CC1CCC(F)(F)CC1 ZINC000630097502 975099282 /nfs/dbraw/zinc/09/92/82/975099282.db2.gz ZBLMRXRGXYBRNV-UHFFFAOYSA-N -1 0 339.382 3.706 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1)c1cccs1 ZINC000630102791 975101981 /nfs/dbraw/zinc/10/19/81/975101981.db2.gz WACVGWXYCFMUBY-KFWWJZLASA-N -1 0 347.411 3.713 20 0 EHADRM O=C([O-])c1cncc(C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)c1 ZINC000630116917 975108565 /nfs/dbraw/zinc/10/85/65/975108565.db2.gz XUUCWSDYCZTKEZ-SFHVURJKSA-N -1 0 349.390 3.629 20 0 EHADRM Cc1cc(C)c(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])s1 ZINC000630122985 975110738 /nfs/dbraw/zinc/11/07/38/975110738.db2.gz NPWKDUVIKWEXEM-CYBMUJFWSA-N -1 0 331.437 3.728 20 0 EHADRM Cc1cc(C(F)F)oc1C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000630130231 975115701 /nfs/dbraw/zinc/11/57/01/975115701.db2.gz JJEQWWDEZZZTJV-GXFFZTMASA-N -1 0 337.322 3.717 20 0 EHADRM Cc1cc(C(=O)N2CC[C@@H](C)[C@H]2c2cccc(F)c2)oc1C(=O)[O-] ZINC000630152330 975132125 /nfs/dbraw/zinc/13/21/25/975132125.db2.gz JELLUUHPNQVCJM-BMIGLBTASA-N -1 0 331.343 3.649 20 0 EHADRM Cc1ccc(C)c(S([O-])=CC(=O)N[C@H](C)c2ccccc2Cl)c1 ZINC000107966703 1014238441 /nfs/dbraw/zinc/23/84/41/1014238441.db2.gz NGCQDBUCQWSTCD-QKFKETGDSA-N -1 0 349.883 3.942 20 0 EHADRM C[C@@H](CC(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1)c1ccco1 ZINC000630219706 975165448 /nfs/dbraw/zinc/16/54/48/975165448.db2.gz ZMOKNBTUVIBYAF-BPUTZDHNSA-N -1 0 327.380 3.590 20 0 EHADRM CC1(C)CCC[C@@H](C(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)C1 ZINC000630242155 975187664 /nfs/dbraw/zinc/18/76/64/975187664.db2.gz YAYHGPKOGQSZJR-GFCCVEGCSA-N -1 0 333.403 3.625 20 0 EHADRM Cc1scc(C(=O)Nc2ccc(O[C@@H](C)C(=O)[O-])c(F)c2)c1C ZINC000630260323 975204154 /nfs/dbraw/zinc/20/41/54/975204154.db2.gz JWGDFGOQJJJURU-VIFPVBQESA-N -1 0 337.372 3.608 20 0 EHADRM CC1(C)[C@H](c2ccc(F)cc2)CCN1C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000630267058 975211068 /nfs/dbraw/zinc/21/10/68/975211068.db2.gz GDDUSZACOAPHGH-UXLLHSPISA-N -1 0 347.430 3.811 20 0 EHADRM Cc1cc(C(=O)N2CC[C@@H](c3cccc(F)c3)C2(C)C)oc1C(=O)[O-] ZINC000630274319 975219214 /nfs/dbraw/zinc/21/92/14/975219214.db2.gz MWRPZBBFYXKLRE-AWEZNQCLSA-N -1 0 345.370 3.834 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000630281149 975226243 /nfs/dbraw/zinc/22/62/43/975226243.db2.gz BGQKFBLAQHVILV-DYWXZXKOSA-N -1 0 349.858 3.620 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000630286184 975230185 /nfs/dbraw/zinc/23/01/85/975230185.db2.gz VEFSURRQWWLZLF-NNIGNNQHSA-N -1 0 341.451 3.672 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC000630285897 975230388 /nfs/dbraw/zinc/23/03/88/975230388.db2.gz SYARQIMRFKQGGF-GRDNDAEWSA-N -1 0 340.423 3.500 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCCc3ccc(Cl)cc32)C1 ZINC000630304107 975240921 /nfs/dbraw/zinc/24/09/21/975240921.db2.gz DXFZINLOSZXCGY-XJKCOSOUSA-N -1 0 335.831 3.725 20 0 EHADRM CCOc1ccc(N(CC2CC2)C(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000630305597 975241566 /nfs/dbraw/zinc/24/15/66/975241566.db2.gz SDTHFCFSWMDEMB-UHFFFAOYSA-N -1 0 339.391 3.840 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)Cc2ccc3c(c2)CCC3)cc1 ZINC000630327489 975254044 /nfs/dbraw/zinc/25/40/44/975254044.db2.gz JMXKZCQWVWHFTJ-RBUKOAKNSA-N -1 0 335.403 3.545 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)[C@H]1CCCc2ccccc21)c1cccs1 ZINC000642146486 975289036 /nfs/dbraw/zinc/28/90/36/975289036.db2.gz KMVKQBBKMSYDES-LSDHHAIUSA-N -1 0 329.421 3.500 20 0 EHADRM CC(C)Cc1ccc(CC(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000642148548 975290343 /nfs/dbraw/zinc/29/03/43/975290343.db2.gz NDFQXQFYVGOTCX-INIZCTEOSA-N -1 0 345.464 3.821 20 0 EHADRM CC(C)Cc1ccc(CC(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000642148549 975290347 /nfs/dbraw/zinc/29/03/47/975290347.db2.gz NDFQXQFYVGOTCX-MRXNPFEDSA-N -1 0 345.464 3.821 20 0 EHADRM CC[C@H](CSc1ccccc1)NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000647164453 975357869 /nfs/dbraw/zinc/35/78/69/975357869.db2.gz WGRLBSCREGBFRS-QLFBSQMISA-N -1 0 335.469 3.565 20 0 EHADRM C[C@@H](Nc1ncc(C(=O)[O-])cc1Cl)[C@H]1OCCc2sccc21 ZINC000647455720 975364709 /nfs/dbraw/zinc/36/47/09/975364709.db2.gz LJVHFLHWOYMUIQ-AMIZOPFISA-N -1 0 338.816 3.609 20 0 EHADRM CCC(CC)[C@@H](C)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000648333483 975381000 /nfs/dbraw/zinc/38/10/00/975381000.db2.gz ZJLYEZREAVPAJB-GFCCVEGCSA-N -1 0 342.439 3.823 20 0 EHADRM C[C@H](CC(=O)N[C@H]1CCC[C@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000648354043 975383392 /nfs/dbraw/zinc/38/33/92/975383392.db2.gz WNXQOJVTUWVWPF-HONMWMINSA-N -1 0 343.345 3.569 20 0 EHADRM Cc1cc(C)cc(C2(C(=O)N3CCc4cccc(C(=O)[O-])c4C3)CC2)c1 ZINC000649258628 975400998 /nfs/dbraw/zinc/40/09/98/975400998.db2.gz YMGTUHTYIZJMTF-UHFFFAOYSA-N -1 0 349.430 3.618 20 0 EHADRM CC[C@H](C(=O)N1CCc2cccc(C(=O)[O-])c2C1)c1ccc(F)cc1 ZINC000649259030 975402179 /nfs/dbraw/zinc/40/21/79/975402179.db2.gz MNRYWSXCIZMHNY-INIZCTEOSA-N -1 0 341.382 3.602 20 0 EHADRM CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000650361687 975430386 /nfs/dbraw/zinc/43/03/86/975430386.db2.gz HLMMKVDNGYTPNP-UHFFFAOYSA-N -1 0 338.190 3.964 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1Cc1cc(Br)cc(F)c1F ZINC000650507141 975449520 /nfs/dbraw/zinc/44/95/20/975449520.db2.gz IMVHUJLOJSUKGO-NSHDSACASA-N -1 0 348.187 3.557 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)[C@H]2C[C@@H]2C2CCCC2)cc1Cl ZINC000652063814 975463836 /nfs/dbraw/zinc/46/38/36/975463836.db2.gz VZMCQGJMINMKQJ-OLZOCXBDSA-N -1 0 337.803 3.568 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCC2(CCc3ccccc3C2)CC1 ZINC000652082306 975477526 /nfs/dbraw/zinc/47/75/26/975477526.db2.gz PBJJWVZYDSBEEG-UHFFFAOYSA-N -1 0 343.467 3.675 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)c1cccc(Nc2ccccc2)c1)C(=O)[O-] ZINC000339347156 1014263747 /nfs/dbraw/zinc/26/37/47/1014263747.db2.gz GCSGCMWULLKSPG-CXAGYDPISA-N -1 0 326.396 3.659 20 0 EHADRM Cc1ncsc1CN(C)[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000652409426 975524103 /nfs/dbraw/zinc/52/41/03/975524103.db2.gz ZPNZBEHNNIWMIE-ZDUSSCGKSA-N -1 0 344.358 3.728 20 0 EHADRM CCC[C@H]1CN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CCO1 ZINC000652419458 975529170 /nfs/dbraw/zinc/52/91/70/975529170.db2.gz WRJBNCJWFDYFKX-IINYFYTJSA-N -1 0 332.227 3.620 20 0 EHADRM O=C([O-])CN(Cc1ncc(-c2cccc(F)c2)o1)C1CCCCC1 ZINC000652482348 975548678 /nfs/dbraw/zinc/54/86/78/975548678.db2.gz XLIJWVBEZKSDAJ-UHFFFAOYSA-N -1 0 332.375 3.700 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(Cc2nc3ccccc3n2C(F)F)C1 ZINC000652495896 975556893 /nfs/dbraw/zinc/55/68/93/975556893.db2.gz FCIBXGYJSBAUIA-GFCCVEGCSA-N -1 0 337.370 3.508 20 0 EHADRM CCc1ccc(-c2csc(NC(=O)CCCCC(=O)[O-])n2)cc1 ZINC000655550573 975627602 /nfs/dbraw/zinc/62/76/02/975627602.db2.gz YIYVNSSLDFUSDI-UHFFFAOYSA-N -1 0 332.425 3.956 20 0 EHADRM CC(C)OCCC(=O)OCc1c(C(=O)[O-])sc2cccc(F)c21 ZINC001591719212 975636679 /nfs/dbraw/zinc/63/66/79/975636679.db2.gz CXERAFVCKFGRJR-UHFFFAOYSA-N -1 0 340.372 3.597 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)NCCc1cccc(-c2ccccc2)c1 ZINC000656236817 975652025 /nfs/dbraw/zinc/65/20/25/975652025.db2.gz GQPUDYVBGQFSIR-HNNXBMFYSA-N -1 0 325.408 3.513 20 0 EHADRM C[C@H](NC(=O)CCC(=O)[O-])c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000656487807 975661016 /nfs/dbraw/zinc/66/10/16/975661016.db2.gz ZORAPDXMYAEPRA-GJZGRUSLSA-N -1 0 341.407 3.869 20 0 EHADRM O=C([O-])c1ccc(CN2CCc3ccc(Cl)c(Cl)c3C2)nc1 ZINC000656758710 975685896 /nfs/dbraw/zinc/68/58/96/975685896.db2.gz LULTVDOYMZUNRA-UHFFFAOYSA-N -1 0 337.206 3.645 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)C1CCC2(CC2)CC1)C(=O)[O-] ZINC000659123696 975724814 /nfs/dbraw/zinc/72/48/14/975724814.db2.gz XRDFPWZWXJSLNC-HNNXBMFYSA-N -1 0 329.440 3.706 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)C2[C@@H]3CCCCCC[C@@H]23)c1OC ZINC000659127594 975726876 /nfs/dbraw/zinc/72/68/76/975726876.db2.gz MQIDTAQIGPUNNA-CHWSQXEVSA-N -1 0 347.411 3.557 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001591737045 975731192 /nfs/dbraw/zinc/73/11/92/975731192.db2.gz COEWWUKMPMTWNY-PWSUYJOCSA-N -1 0 340.807 3.502 20 0 EHADRM CC(C)C[C@@H](C(=O)N(C)C[C@@H](C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000659131056 975731840 /nfs/dbraw/zinc/73/18/40/975731840.db2.gz OAWIZYMTSLERPG-IUODEOHRSA-N -1 0 325.836 3.649 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)C2CC3(C2)CCCCC3)C(=O)[O-])cc1 ZINC000659135245 975735830 /nfs/dbraw/zinc/73/58/30/975735830.db2.gz ODINJSZOJWPMPK-QGZVFWFLSA-N -1 0 329.440 3.640 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)NC1(Cc2ccccc2)CCCC1 ZINC000659148749 975750411 /nfs/dbraw/zinc/75/04/11/975750411.db2.gz XBHAHCVPKSZSTQ-UHFFFAOYSA-N -1 0 327.380 3.572 20 0 EHADRM CCC[C@@H]1CCC[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000659150080 975751838 /nfs/dbraw/zinc/75/18/38/975751838.db2.gz SELXYOFCZUYOLK-LAVFITLUSA-N -1 0 329.440 3.530 20 0 EHADRM COc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)ccc1C(=O)[O-] ZINC000659153090 975753026 /nfs/dbraw/zinc/75/30/26/975753026.db2.gz HWTGYFHDSFNLGS-DLBZAZTESA-N -1 0 339.391 3.752 20 0 EHADRM C[C@H](NC(=O)c1ccc(C2CC2)cc1)c1ccc(OCC(=O)[O-])cc1 ZINC000659157969 975756488 /nfs/dbraw/zinc/75/64/88/975756488.db2.gz UEBRVPDYMYLPOR-ZDUSSCGKSA-N -1 0 339.391 3.518 20 0 EHADRM CC(C)Oc1c(NC(=O)Cc2ccc(F)c(F)c2)cccc1C(=O)[O-] ZINC001591741694 975757239 /nfs/dbraw/zinc/75/72/39/975757239.db2.gz NHWJWNHPICHICQ-UHFFFAOYSA-N -1 0 349.333 3.631 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C2[C@@H]3CCCCCC[C@@H]23)C[C@@H]1c1ccccc1 ZINC000659161283 975760192 /nfs/dbraw/zinc/76/01/92/975760192.db2.gz USCFXLLLZDZLDI-BRSBDYLESA-N -1 0 341.451 3.530 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C2CCC(C3CC3)CC2)C[C@@H]1c1ccccc1 ZINC000659161090 975760210 /nfs/dbraw/zinc/76/02/10/975760210.db2.gz QXDHCJFPUMAMEJ-JDGDGYACSA-N -1 0 341.451 3.530 20 0 EHADRM CC(C)Oc1c(NC(=O)NCc2cccs2)cccc1C(=O)[O-] ZINC001591746224 975779282 /nfs/dbraw/zinc/77/92/82/975779282.db2.gz BHSOHWZDPCLMID-UHFFFAOYSA-N -1 0 334.397 3.555 20 0 EHADRM CSc1ccc(C)c(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)c1 ZINC000659190957 975788138 /nfs/dbraw/zinc/78/81/38/975788138.db2.gz BZJCAIXFFSXHBF-ZOBUZTSGSA-N -1 0 347.480 3.822 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000659195056 975797021 /nfs/dbraw/zinc/79/70/21/975797021.db2.gz OGVRCHNEVDAURH-OQIJWPOYSA-N -1 0 343.467 3.981 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(Cl)c(F)c2)[C@H]2CCCC[C@H]12 ZINC000659195919 975799877 /nfs/dbraw/zinc/79/98/77/975799877.db2.gz ZSOGMBORWVELTM-JMSVASOKSA-N -1 0 339.794 3.585 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)NCc2ccoc2C(=O)[O-])cc1 ZINC000659200572 975806763 /nfs/dbraw/zinc/80/67/63/975806763.db2.gz JFLMJMDDAHOODC-ONEGZZNKSA-N -1 0 327.380 3.821 20 0 EHADRM C[C@@H](C(=O)NC[C@@H](CC(=O)[O-])C1CC1)c1c(Cl)cccc1Cl ZINC000659208170 975817898 /nfs/dbraw/zinc/81/78/98/975817898.db2.gz FOFKTXOEOTZUIH-MWLCHTKSSA-N -1 0 344.238 3.714 20 0 EHADRM C[C@H](CC(=O)N[C@](C)(CCF)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000659215469 975827252 /nfs/dbraw/zinc/82/72/52/975827252.db2.gz NFMQAOBIWSOGIA-MEBBXXQBSA-N -1 0 349.324 3.518 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NC[C@@]1(C)CC1(C)C ZINC001591766933 975871963 /nfs/dbraw/zinc/87/19/63/975871963.db2.gz ARZLHFGKTLLCPY-GOSISDBHSA-N -1 0 334.416 3.730 20 0 EHADRM CC(C)Oc1ccc(C(=O)OC2CC(CC(=O)[O-])C2)c(Cl)c1 ZINC001591773290 975912511 /nfs/dbraw/zinc/91/25/11/975912511.db2.gz XNELYPFJOZLRFR-UHFFFAOYSA-N -1 0 326.776 3.537 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)C2[C@H]3CCCCCC[C@H]23)c2ccccc21 ZINC000663055220 975923162 /nfs/dbraw/zinc/92/31/62/975923162.db2.gz WLRWLKPZSJVIJQ-HRCADAONSA-N -1 0 327.424 3.808 20 0 EHADRM CC(C)Oc1ccc(CCNC(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC001591776937 975929496 /nfs/dbraw/zinc/92/94/96/975929496.db2.gz SUQAWRRJVOBCEA-UHFFFAOYSA-N -1 0 348.424 3.598 20 0 EHADRM C[C@@H](NC(=O)NCCCCC(=O)[O-])c1ccc(F)c2ccccc21 ZINC000666547934 975970117 /nfs/dbraw/zinc/97/01/17/975970117.db2.gz USJFVIAZYWJVLM-GFCCVEGCSA-N -1 0 332.375 3.594 20 0 EHADRM CC[C@@](C)(NC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1)C(=O)[O-] ZINC000668270580 975979690 /nfs/dbraw/zinc/97/96/90/975979690.db2.gz KHYWIPFNINYORI-OAHLLOKOSA-N -1 0 331.334 3.510 20 0 EHADRM Cc1cc(NC(=O)c2ccc([C@@H]3CCCOC3)cc2)ccc1C(=O)[O-] ZINC000668274479 975980787 /nfs/dbraw/zinc/98/07/87/975980787.db2.gz DJJXQUYXHWFFRZ-MRXNPFEDSA-N -1 0 339.391 3.840 20 0 EHADRM CC(C)Oc1cccc(/C=C2\C(=O)Nc3cc(F)c(C(=O)[O-])cc32)c1 ZINC001591792031 975992883 /nfs/dbraw/zinc/99/28/83/975992883.db2.gz ADKFDTCUEHKNBW-AUWJEWJLSA-N -1 0 341.338 3.804 20 0 EHADRM CC(C)Oc1ccccc1C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001591795858 976003074 /nfs/dbraw/zinc/00/30/74/976003074.db2.gz PVSVPMWJOFITLB-UHFFFAOYSA-N -1 0 338.363 3.906 20 0 EHADRM O=C([O-])CN(C(=O)c1cc(Cl)ccc1Cl)C1CCCCC1 ZINC000675994009 976025934 /nfs/dbraw/zinc/02/59/34/976025934.db2.gz RNFYXTGPXXXYJH-UHFFFAOYSA-N -1 0 330.211 3.853 20 0 EHADRM CC(C)(CCCc1ccccc1)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000676023945 976028233 /nfs/dbraw/zinc/02/82/33/976028233.db2.gz QFDDYMLCNNIWPF-UHFFFAOYSA-N -1 0 331.456 3.797 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N3CCC[C@H](C(C)(C)C(=O)[O-])C3)cc2c1C ZINC000679105402 976046507 /nfs/dbraw/zinc/04/65/07/976046507.db2.gz OCXJPRFHLQQGCE-AWEZNQCLSA-N -1 0 342.439 3.748 20 0 EHADRM CC(C)c1cc(C(=O)Nc2ccccc2C(=O)[O-])nn1C(C)(C)C ZINC000681680560 976071598 /nfs/dbraw/zinc/07/15/98/976071598.db2.gz NANNVDRYPQKPCU-UHFFFAOYSA-N -1 0 329.400 3.712 20 0 EHADRM Cc1cc(Cl)cc(C(=O)N(CCC(=O)[O-])Cc2ccccc2)c1 ZINC000683297022 976081511 /nfs/dbraw/zinc/08/15/11/976081511.db2.gz JYANJKLEUGEORD-UHFFFAOYSA-N -1 0 331.799 3.766 20 0 EHADRM O=C([O-])C1(CNC(=O)c2ccc(OC3CCCC3)cc2)CCCCC1 ZINC000683330315 976088275 /nfs/dbraw/zinc/08/82/75/976088275.db2.gz KRTKNQNBWUROCL-UHFFFAOYSA-N -1 0 345.439 3.773 20 0 EHADRM CC(C)[C@@H]1C[C@H](NC(=O)Nc2cc(C(=O)[O-])n(C)c2)c2ccccc21 ZINC001591846738 976130572 /nfs/dbraw/zinc/13/05/72/976130572.db2.gz UVACXYAQKNZWPH-HOTGVXAUSA-N -1 0 341.411 3.729 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)Oc2ccc(N(C)C)c(C(=O)[O-])c2)CC1 ZINC001591907345 976310848 /nfs/dbraw/zinc/31/08/48/976310848.db2.gz NATJMQPHVCWMSN-HDJSIYSDSA-N -1 0 333.428 3.819 20 0 EHADRM CC(C)c1[nH]c(CNc2cccc(NC(=O)C3CC3)c2)cc1C(=O)[O-] ZINC001591918011 976381278 /nfs/dbraw/zinc/38/12/78/976381278.db2.gz JWVOHUUWTOIZKB-UHFFFAOYSA-N -1 0 341.411 3.797 20 0 EHADRM CC(C)c1[nH]ccc1C(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)c2ccccc21 ZINC001591918795 976386486 /nfs/dbraw/zinc/38/64/86/976386486.db2.gz YTTNCRAKUOQHRC-RBZFPXEDSA-N -1 0 340.423 3.745 20 0 EHADRM CC(C)c1cc(C(=O)N[C@H](CC(=O)[O-])C2CC2)c(O)c(C(C)C)c1 ZINC001591925662 976410034 /nfs/dbraw/zinc/41/00/34/976410034.db2.gz NILHNVBYCJDZNW-MRXNPFEDSA-N -1 0 333.428 3.622 20 0 EHADRM CC(C)c1ccc(-c2nc(C(=O)N[C@@H](C(=O)[O-])C(C)C)cs2)cc1 ZINC001591936183 976458539 /nfs/dbraw/zinc/45/85/39/976458539.db2.gz SDLYQMLZQUPKFJ-OAHLLOKOSA-N -1 0 346.452 3.773 20 0 EHADRM CC(C)c1ccc(C(=O)Cn2nc(C(=O)[O-])nc2Cl)c(C(C)C)c1 ZINC001591943365 976478241 /nfs/dbraw/zinc/47/82/41/976478241.db2.gz HQJTZEFHKUXINR-UHFFFAOYSA-N -1 0 349.818 3.759 20 0 EHADRM CC(C)c1ccc(C2(C(=O)N3CC[C@](C)(C(=O)[O-])C3)CCCC2)cc1 ZINC001591948997 976504883 /nfs/dbraw/zinc/50/48/83/976504883.db2.gz OKVKPRDLKFDYRV-FQEVSTJZSA-N -1 0 343.467 3.945 20 0 EHADRM CC(C)c1ccc(OCCC(=O)O[C@H](C)c2nc(C(=O)[O-])co2)cc1 ZINC001591972092 976569305 /nfs/dbraw/zinc/56/93/05/976569305.db2.gz CWVVHWZMKKUVJN-GFCCVEGCSA-N -1 0 347.367 3.570 20 0 EHADRM CC(C)c1ccc(OCC(=O)O[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC001591974066 976584722 /nfs/dbraw/zinc/58/47/22/976584722.db2.gz MAJFKXUWZKJZBE-GOSISDBHSA-N -1 0 328.364 3.558 20 0 EHADRM CC(C)c1ccc2occ(C(=O)NC[C@@H](CC(=O)[O-])C3CC3)c2c1 ZINC001591980595 976593884 /nfs/dbraw/zinc/59/38/84/976593884.db2.gz HVPPYQRZGZRVBD-CQSZACIVSA-N -1 0 329.396 3.787 20 0 EHADRM CC(C)c1ccc2occ(C(=O)NC[C@@H](CC3CC3)C(=O)[O-])c2c1 ZINC001591981683 976598946 /nfs/dbraw/zinc/59/89/46/976598946.db2.gz WVPNPYHZUYQFAB-CQSZACIVSA-N -1 0 329.396 3.787 20 0 EHADRM CC(C)c1cccc(C(=O)N[C@](C)(Cc2ccc(F)cc2)C(=O)[O-])c1 ZINC001591983242 976602510 /nfs/dbraw/zinc/60/25/10/976602510.db2.gz LEAMJCKNMWLJAH-HXUWFJFHSA-N -1 0 343.398 3.765 20 0 EHADRM CC(C)c1cccc2c1CCN(C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])C2 ZINC001591994515 976633074 /nfs/dbraw/zinc/63/30/74/976633074.db2.gz OVTIBNWNHVJWGN-KBXCAEBGSA-N -1 0 344.455 3.521 20 0 EHADRM CC(C)c1nc(NC(=O)c2cc3cc(F)ccc3[nH]2)sc1C(=O)[O-] ZINC001592028492 976728332 /nfs/dbraw/zinc/72/83/32/976728332.db2.gz KPIDISCSNBPLFG-UHFFFAOYSA-N -1 0 347.371 3.837 20 0 EHADRM CC(C)c1nc(NC(=O)c2cc3c(s2)CCC3)sc1C(=O)[O-] ZINC001592028718 976730546 /nfs/dbraw/zinc/73/05/46/976730546.db2.gz QSTJCWIWMPLVNA-UHFFFAOYSA-N -1 0 336.438 3.767 20 0 EHADRM CC(C)c1nc2cc(NC(=O)Nc3ccc(C(=O)[O-])nc3)ccc2o1 ZINC001592030352 976735641 /nfs/dbraw/zinc/73/56/41/976735641.db2.gz MLOILMVRGUHARG-UHFFFAOYSA-N -1 0 340.339 3.688 20 0 EHADRM CC(C)c1nnc(CSCc2cccc(C(=O)[O-])c2Cl)o1 ZINC001592061042 976812774 /nfs/dbraw/zinc/81/27/74/976812774.db2.gz JYXMUSPDCBJBEI-UHFFFAOYSA-N -1 0 326.805 3.978 20 0 EHADRM CC(C)c1nocc1C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001592106656 976885270 /nfs/dbraw/zinc/88/52/70/976885270.db2.gz YKSVMOFSRCZKHF-UHFFFAOYSA-N -1 0 334.397 3.617 20 0 EHADRM CC(C)c1ocnc1CN[C@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21 ZINC001592107844 976888326 /nfs/dbraw/zinc/88/83/26/976888326.db2.gz DQHXUQNXPCCAGZ-BFUOFWGJSA-N -1 0 328.412 3.765 20 0 EHADRM CC(C)c1sc(NC(=O)c2cscc2Cl)nc1C(=O)[O-] ZINC001592115005 976911861 /nfs/dbraw/zinc/91/18/61/976911861.db2.gz QRGLWFINURPUNG-UHFFFAOYSA-N -1 0 330.818 3.932 20 0 EHADRM CC(C)c1scnc1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O ZINC001592117202 976920581 /nfs/dbraw/zinc/92/05/81/976920581.db2.gz NWIGLKQGMIHNJQ-UHFFFAOYSA-N -1 0 340.788 3.576 20 0 EHADRM CC(C)n1ccnc1SCCOc1ccc(/C=C\C(=O)[O-])cc1 ZINC001592144806 976998908 /nfs/dbraw/zinc/99/89/08/976998908.db2.gz TWOPRLQDRWCWDD-YVMONPNESA-N -1 0 332.425 3.733 20 0 EHADRM Cc1oc2ccc(NC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])cc2c1C ZINC000654798092 1014413785 /nfs/dbraw/zinc/41/37/85/1014413785.db2.gz CGKKHAQJUALCEN-NSHDSACASA-N -1 0 344.289 3.577 20 0 EHADRM Cc1oc2ccc(NC(=O)N3CCCCC[C@@H]3C(=O)[O-])cc2c1C ZINC000654798177 1014414012 /nfs/dbraw/zinc/41/40/12/1014414012.db2.gz JCRGOCFOWZZLCE-OAHLLOKOSA-N -1 0 330.384 3.911 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N1CCCCC[C@@H]1Cc1ccccc1Cl ZINC001592341820 977792194 /nfs/dbraw/zinc/79/21/94/977792194.db2.gz FMHMFUOJBGPZFW-UKRRQHHQSA-N -1 0 337.847 3.765 20 0 EHADRM CCCc1nc(=NC(=O)N2CC[C@@H](c3ccc(C)cc3C)C2)s[n-]1 ZINC000579766921 1014436133 /nfs/dbraw/zinc/43/61/33/1014436133.db2.gz KUFIWDRGCDFTHO-CQSZACIVSA-N -1 0 344.484 3.551 20 0 EHADRM CC1(C)CC[C@H](NC=C2c3ccccc3C(=O)NC2=O)c2ccccc21 ZINC000063633798 1014438021 /nfs/dbraw/zinc/43/80/21/1014438021.db2.gz QUNGZJUTOJYIQQ-UMEYKSNOSA-N -1 0 346.430 3.700 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Oc1cc(Cl)cc(Br)c1 ZINC001592402521 977969796 /nfs/dbraw/zinc/96/97/96/977969796.db2.gz PKNLFHCEXUBHIY-ZETCQYMHSA-N -1 0 335.581 3.509 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc(Cl)sc1Cl)C1CCCC1 ZINC000718801427 977979289 /nfs/dbraw/zinc/97/92/89/977979289.db2.gz PKTYCKRPFMXKHH-VIFPVBQESA-N -1 0 336.240 3.818 20 0 EHADRM C[C@H](CC(=O)[O-])c1nnc(COc2ccccc2-c2ccccc2)o1 ZINC001592423812 978041627 /nfs/dbraw/zinc/04/16/27/978041627.db2.gz HPWKTGOQYPJCCM-CYBMUJFWSA-N -1 0 338.363 3.894 20 0 EHADRM C[C@@H](CC(=O)OCc1cccc(C(=O)[O-])c1Cl)c1ccc(N)cc1 ZINC001592433848 978069703 /nfs/dbraw/zinc/06/97/03/978069703.db2.gz PCODQQALIIANBL-NSHDSACASA-N -1 0 347.798 3.857 20 0 EHADRM C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001592439096 978086542 /nfs/dbraw/zinc/08/65/42/978086542.db2.gz ZUIWGKDFWFBSGT-NSHDSACASA-N -1 0 345.782 3.886 20 0 EHADRM C[C@H](CC(C)(C)CC(=O)[O-])Nc1ccc([C@@H](O)C(F)(F)F)cc1 ZINC001592446116 978122206 /nfs/dbraw/zinc/12/22/06/978122206.db2.gz STYIHANRULPLEV-QMTHXVAHSA-N -1 0 333.350 3.974 20 0 EHADRM C[C@@H](CCC(C)(C)C)NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001592478214 978250459 /nfs/dbraw/zinc/25/04/59/978250459.db2.gz QUVRXCXMKTZHPK-LBPRGKRZSA-N -1 0 330.428 3.740 20 0 EHADRM C[C@H](CCC(C)(C)C)C(=O)N[C@](C)(Cc1ccc(F)cc1)C(=O)[O-] ZINC001592478596 978252674 /nfs/dbraw/zinc/25/26/74/978252674.db2.gz UOYPASLZHIQXMK-BFUOFWGJSA-N -1 0 337.435 3.790 20 0 EHADRM C[C@H](CCC(C)(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001592478956 978256622 /nfs/dbraw/zinc/25/66/22/978256622.db2.gz YRGBTAGFTUIICM-DYVFJYSZSA-N -1 0 344.455 3.742 20 0 EHADRM CC[C@H](NC(=S)NCCc1ccc(C(=O)[O-])cc1)c1cccs1 ZINC000736920114 978366647 /nfs/dbraw/zinc/36/66/47/978366647.db2.gz NODMRXARCDLWES-AWEZNQCLSA-N -1 0 348.493 3.604 20 0 EHADRM Cc1ccc(OC(=O)[C@H](C)Oc2ccc3c(c2)CCC3)c(C(=O)[O-])c1 ZINC000738636588 978578237 /nfs/dbraw/zinc/57/82/37/978578237.db2.gz RJZRQORACGPXKO-ZDUSSCGKSA-N -1 0 340.375 3.555 20 0 EHADRM Cc1ccc(OC(=O)Cc2ccc(-n3cccc3)cc2)c(C(=O)[O-])c1 ZINC000738641517 978580327 /nfs/dbraw/zinc/58/03/27/978580327.db2.gz URJFSUAZRXHQPI-UHFFFAOYSA-N -1 0 335.359 3.632 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N(Cc2ccccc2F)C2CC2)c(F)c1 ZINC000740146793 978670794 /nfs/dbraw/zinc/67/07/94/978670794.db2.gz GSSSCIGNRJGPEI-UHFFFAOYSA-N -1 0 346.333 3.860 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCC(c3ccccc3)CC2)c(F)c1 ZINC000740148250 978670821 /nfs/dbraw/zinc/67/08/21/978670821.db2.gz TZYVFZLKDPEKHM-UHFFFAOYSA-N -1 0 342.370 3.935 20 0 EHADRM O=C([O-])c1cnc(/C=C/c2cccc(NC(=O)C(F)(F)F)c2)s1 ZINC000749359069 978688946 /nfs/dbraw/zinc/68/89/46/978688946.db2.gz YDHFPCUDSMNYDO-SNAWJCMRSA-N -1 0 342.298 3.513 20 0 EHADRM O=C([O-])CCCC(=O)NCc1ccccc1-c1ccc(Cl)cc1 ZINC000753977088 978695872 /nfs/dbraw/zinc/69/58/72/978695872.db2.gz SBBXPFHSHSKYEE-UHFFFAOYSA-N -1 0 331.799 3.878 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1cccc(-c2ccoc2)c1 ZINC000761420229 978710875 /nfs/dbraw/zinc/71/08/75/978710875.db2.gz MDRMDLVWMWIXNL-UHFFFAOYSA-N -1 0 333.343 3.848 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccc(F)cc1F ZINC000761661558 978713430 /nfs/dbraw/zinc/71/34/30/978713430.db2.gz CGPSNLITUKXJBL-SECBINFHSA-N -1 0 337.297 3.934 20 0 EHADRM Cc1cc(/C=C\C(=O)N2CC[C@@H](C(=O)[O-])C2)c(C)n1C1CCCCC1 ZINC000769510764 978741631 /nfs/dbraw/zinc/74/16/31/978741631.db2.gz UTNXMCVAWLZHDF-XZVRFQMRSA-N -1 0 344.455 3.556 20 0 EHADRM CCOc1ccc([C@@H](C)NC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000811815433 978859318 /nfs/dbraw/zinc/85/93/18/978859318.db2.gz PXFBPMAHOHFYLZ-LLVKDONJSA-N -1 0 347.798 3.928 20 0 EHADRM CCOCc1ccccc1CNC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811816161 978860061 /nfs/dbraw/zinc/86/00/61/978860061.db2.gz NNQOOLMYMGJTSM-UHFFFAOYSA-N -1 0 347.798 3.505 20 0 EHADRM CC(C)(CNC(=O)c1cc(C(=O)[O-])ccc1Cl)c1cccs1 ZINC000811817102 978860934 /nfs/dbraw/zinc/86/09/34/978860934.db2.gz OARHUWLGHAVCAM-UHFFFAOYSA-N -1 0 337.828 3.807 20 0 EHADRM C[C@@H](CCNC(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccccc1 ZINC000811816987 978860950 /nfs/dbraw/zinc/86/09/50/978860950.db2.gz GZNQZVWEXUHJGM-LBPRGKRZSA-N -1 0 331.799 3.962 20 0 EHADRM COc1c(Cl)cccc1NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811819591 978864141 /nfs/dbraw/zinc/86/41/41/978864141.db2.gz DGBNIPXYMHYNFA-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)NCC2CC(c3ccccc3)C2)c1 ZINC000823365718 978938604 /nfs/dbraw/zinc/93/86/04/978938604.db2.gz KZZPTUOQKSPBBZ-UHFFFAOYSA-N -1 0 343.810 3.962 20 0 EHADRM C[C@H](c1ccccc1)[C@H](C)NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000827646038 978962937 /nfs/dbraw/zinc/96/29/37/978962937.db2.gz NTJPNWSQKRNXQJ-GJZGRUSLSA-N -1 0 340.423 3.718 20 0 EHADRM CN(Cc1cc2ccccc2o1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000830810682 979021581 /nfs/dbraw/zinc/02/15/81/979021581.db2.gz FTAQDBBUMDVBSF-UHFFFAOYSA-N -1 0 342.326 3.934 20 0 EHADRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)c1ccsc1 ZINC000832848092 979049851 /nfs/dbraw/zinc/04/98/51/979049851.db2.gz NMHIJFMCFDJGJW-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM Cc1cc(NC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cnc1Cl ZINC000832895774 979053400 /nfs/dbraw/zinc/05/34/00/979053400.db2.gz QOJJPOLOFOHDLV-RISCZKNCSA-N -1 0 347.802 3.627 20 0 EHADRM CC[C@@H](C)n1nc(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)cc1C ZINC001595022521 979106294 /nfs/dbraw/zinc/10/62/94/979106294.db2.gz MBVCPFFOJRKDGL-YPMHNXCESA-N -1 0 330.384 3.779 20 0 EHADRM CC[C@@H](C)n1ncc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1C ZINC001595023114 979113617 /nfs/dbraw/zinc/11/36/17/979113617.db2.gz GSMRTIJUQIFOER-GFCCVEGCSA-N -1 0 343.427 3.777 20 0 EHADRM CC[C@@H](CC(=O)N(C)[C@@H](CC(C)C)C(=O)[O-])c1ccc(OC)cc1 ZINC001595029709 979159732 /nfs/dbraw/zinc/15/97/32/979159732.db2.gz DRMYEOUFZMWFGA-YOEHRIQHSA-N -1 0 335.444 3.537 20 0 EHADRM CC[C@H](CC(F)(F)F)NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001595041897 979230114 /nfs/dbraw/zinc/23/01/14/979230114.db2.gz GGYPLMCHDTWSES-KGYLQXTDSA-N -1 0 344.333 3.727 20 0 EHADRM CC[C@H](CC(F)(F)F)NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001595042405 979234378 /nfs/dbraw/zinc/23/43/78/979234378.db2.gz LIRPEZYUHVYUQQ-SSDOTTSWSA-N -1 0 338.713 3.891 20 0 EHADRM CC[C@H](CC(F)F)C(=O)N1CCCc2c(C(=O)[O-])ccc(C)c21 ZINC001595042860 979239945 /nfs/dbraw/zinc/23/99/45/979239945.db2.gz WVIWYHDOQQDWBN-LLVKDONJSA-N -1 0 325.355 3.654 20 0 EHADRM C[C@H](NC(=O)C=C1CCC(C)(C)CC1)c1ccc(OCC(=O)[O-])cc1 ZINC000836753836 979260159 /nfs/dbraw/zinc/26/01/59/979260159.db2.gz QTFYJUUGHYJNHJ-AWEZNQCLSA-N -1 0 345.439 3.854 20 0 EHADRM CCC(CC)(CC(=O)[O-])C(=O)OCc1cc(Cl)nc(Cl)c1 ZINC001595048607 979266100 /nfs/dbraw/zinc/26/61/00/979266100.db2.gz BIAVJNGDQFCASR-UHFFFAOYSA-N -1 0 334.199 3.713 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC001595048678 979266663 /nfs/dbraw/zinc/26/66/63/979266663.db2.gz HDVBWSJTNKQUTH-CQSZACIVSA-N -1 0 349.471 3.901 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@@H](C)CSCc1ccccc1 ZINC001595048962 979270678 /nfs/dbraw/zinc/27/06/78/979270678.db2.gz WMUUHSMPNZHBDD-AWEZNQCLSA-N -1 0 337.485 3.706 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1scc(Br)c1C ZINC001595054050 979293032 /nfs/dbraw/zinc/29/30/32/979293032.db2.gz YQWWEMODNIPTBW-UHFFFAOYSA-N -1 0 348.262 3.582 20 0 EHADRM O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)C2CCCCCCC2)C1 ZINC000844157733 979347640 /nfs/dbraw/zinc/34/76/40/979347640.db2.gz QGDQKZBNFBEONZ-HXUWFJFHSA-N -1 0 329.440 3.602 20 0 EHADRM CC[C@H](CNC(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C)C(=O)[O-] ZINC000844158403 979349474 /nfs/dbraw/zinc/34/94/74/979349474.db2.gz OGVOSKAAGGGAEE-GOEBONIOSA-N -1 0 342.439 3.555 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000844245168 979390375 /nfs/dbraw/zinc/39/03/75/979390375.db2.gz IWCFKRBZKHKJCT-KBPBESRZSA-N -1 0 331.412 3.745 20 0 EHADRM C/C(=C\CN(C)Cc1ccc(Br)cc1Cl)C(=O)[O-] ZINC000846257840 979429259 /nfs/dbraw/zinc/42/92/59/979429259.db2.gz QJDWJDLTZDHNRJ-WEVVVXLNSA-N -1 0 332.625 3.565 20 0 EHADRM CCC(CC)CCCN(C)C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001595109850 979448544 /nfs/dbraw/zinc/44/85/44/979448544.db2.gz OOMHBCPZUHTMPJ-LLVKDONJSA-N -1 0 341.477 3.760 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)N[C@@](C)(CC(=O)[O-])C2CC2)cc1 ZINC001595121404 979491050 /nfs/dbraw/zinc/49/10/50/979491050.db2.gz LGCMMUSNHWFCKU-IBGZPJMESA-N -1 0 333.428 3.627 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)N[C@H](CC(C)(C)C)C(=O)[O-])cc1 ZINC001595121832 979497174 /nfs/dbraw/zinc/49/71/74/979497174.db2.gz WYPQHTJLULKBOY-MRXNPFEDSA-N -1 0 335.444 3.873 20 0 EHADRM CC[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851592894 979501566 /nfs/dbraw/zinc/50/15/66/979501566.db2.gz HFQWTFPGOZVUDG-GAJOTYCWSA-N -1 0 327.380 3.818 20 0 EHADRM CCC(CC)n1nc(C(=O)O[C@@H](C(=O)[O-])c2ccsc2)cc1C ZINC001595124535 979505357 /nfs/dbraw/zinc/50/53/57/979505357.db2.gz LQZUFNUJPORLFU-CQSZACIVSA-N -1 0 336.413 3.597 20 0 EHADRM CCC(CC)n1ccc(CNc2cc(COC)cc(C(=O)[O-])c2)n1 ZINC001595124543 979505570 /nfs/dbraw/zinc/50/55/70/979505570.db2.gz MBFGPTBGWYHMGL-UHFFFAOYSA-N -1 0 331.416 3.701 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N2CCCCCc3ccccc32)o1 ZINC000851595663 979509166 /nfs/dbraw/zinc/50/91/66/979509166.db2.gz PHRNXNRVMZGAKK-ZRDIBKRKSA-N -1 0 325.364 3.751 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N2CCC[C@H]2CCc2ccccc2)o1 ZINC000851601183 979520661 /nfs/dbraw/zinc/52/06/61/979520661.db2.gz JJCLKHVRJKCUTM-BYIUCRAPSA-N -1 0 339.391 3.615 20 0 EHADRM O=C([O-])[C@H](NC(=O)C1CC2(CC2(F)F)C1)c1ccc2ccccc2c1 ZINC000851603091 979524145 /nfs/dbraw/zinc/52/41/45/979524145.db2.gz IQMPLGRJBOZLGH-SWKXRBFHSA-N -1 0 345.345 3.517 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1ccc(/C=C\C(=O)[O-])o1)Cc1ccccc1 ZINC000851606630 979531847 /nfs/dbraw/zinc/53/18/47/979531847.db2.gz VKDRZTLHJDKRJY-HGPCXVNDSA-N -1 0 341.407 3.622 20 0 EHADRM C[C@H](CS[C@@H](C)c1nnc(-c2ccccc2F)s1)C(=O)[O-] ZINC001592825243 979541332 /nfs/dbraw/zinc/54/13/32/979541332.db2.gz SVQLTYXERLGRRB-BDAKNGLRSA-N -1 0 326.418 3.859 20 0 EHADRM O=C([O-])C[C@H](CNC(=O)c1cccc(SC(F)(F)F)c1)C1CC1 ZINC000851620536 979550177 /nfs/dbraw/zinc/55/01/77/979550177.db2.gz GKSSFFVDYFZSJN-LLVKDONJSA-N -1 0 347.358 3.529 20 0 EHADRM C[C@@H](CSCc1ccccc1)C(=O)Oc1ccc(C(=O)[O-])cc1 ZINC001592826358 979550589 /nfs/dbraw/zinc/55/05/89/979550589.db2.gz ZVBBZJWCUPPBBT-ZDUSSCGKSA-N -1 0 330.405 3.860 20 0 EHADRM C[C@H](CSCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)C(=O)[O-] ZINC001592830434 979555011 /nfs/dbraw/zinc/55/50/11/979555011.db2.gz UMNZGULBAMWMQX-MRVPVSSYSA-N -1 0 346.239 3.528 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC001592830403 979555066 /nfs/dbraw/zinc/55/50/66/979555066.db2.gz RELUJVCFYMOGPK-CQSZACIVSA-N -1 0 335.469 3.661 20 0 EHADRM C[C@H](CSc1ccccc1)N(C)C(=O)c1ccc(C(=O)[O-])cc1 ZINC001592831511 979557840 /nfs/dbraw/zinc/55/78/40/979557840.db2.gz CBMZTXFZOZTXKI-CYBMUJFWSA-N -1 0 329.421 3.638 20 0 EHADRM Cc1cccc(CC2CN(C(=O)c3cc(C(=O)[O-])ccc3Cl)C2)c1 ZINC000851624047 979560365 /nfs/dbraw/zinc/56/03/65/979560365.db2.gz YMAFIDRQZPJOIB-UHFFFAOYSA-N -1 0 343.810 3.661 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC001592832141 979562042 /nfs/dbraw/zinc/56/20/42/979562042.db2.gz LYZAFTDZYAJIBJ-LBPRGKRZSA-N -1 0 348.395 3.787 20 0 EHADRM O=C([O-])COc1ccc(C(=O)N2CCC(C3CCCCC3)CC2)cc1 ZINC000851692624 979564655 /nfs/dbraw/zinc/56/46/55/979564655.db2.gz GYAYBMNIBBMYFW-UHFFFAOYSA-N -1 0 345.439 3.583 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001592838602 979590169 /nfs/dbraw/zinc/59/01/69/979590169.db2.gz GAIVDQRQSGSURT-OANVXVOSSA-N -1 0 347.798 3.734 20 0 EHADRM CCCC[C@@H](C(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1)C(C)C ZINC000856926767 979611922 /nfs/dbraw/zinc/61/19/22/979611922.db2.gz IAFVWSYDHULOTE-YLJYHZDGSA-N -1 0 331.456 3.704 20 0 EHADRM C[C@@H]1CCCCN1C(=O)c1ccc(NCc2ccc(C(=O)[O-])o2)cc1 ZINC000859798606 979634770 /nfs/dbraw/zinc/63/47/70/979634770.db2.gz CVSOOOCKGSSYIY-CYBMUJFWSA-N -1 0 342.395 3.605 20 0 EHADRM CC[C@@](CNC(=O)Nc1ccc(C)cc1)(C(=O)[O-])c1ccccc1 ZINC001595152238 979646875 /nfs/dbraw/zinc/64/68/75/979646875.db2.gz IRYGLMWQIXKHAE-IBGZPJMESA-N -1 0 326.396 3.549 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)[C@@H]2C[C@]2(F)c2ccccc2)cc1)C(=O)[O-] ZINC001592857738 979666081 /nfs/dbraw/zinc/66/60/81/979666081.db2.gz LIMBYPSNSCWSBU-VOWSPCBNSA-N -1 0 341.382 3.773 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)Cc2cnc3ccccc3c2)cc1)C(=O)[O-] ZINC001592858240 979670941 /nfs/dbraw/zinc/67/09/41/979670941.db2.gz GQHLOLSRMSXQGL-AWEZNQCLSA-N -1 0 348.402 3.679 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)Cc2ccc3cccnc3c2)cc1)C(=O)[O-] ZINC001592858483 979672674 /nfs/dbraw/zinc/67/26/74/979672674.db2.gz HVYNQEFINQMMKT-CQSZACIVSA-N -1 0 348.402 3.679 20 0 EHADRM CC[C@@H](C)N(Cc1ccccc1)C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000864101317 979684838 /nfs/dbraw/zinc/68/48/38/979684838.db2.gz SXHFRIJLTQQZRT-CFYYFVFUSA-N -1 0 327.380 3.818 20 0 EHADRM CC(C)Oc1cccc([C@@H](C)NC(=O)/C=C\c2cc(C(=O)[O-])co2)c1 ZINC000864103565 979688876 /nfs/dbraw/zinc/68/88/76/979688876.db2.gz MLTFUGCOXVCOGE-MEJMFZKBSA-N -1 0 343.379 3.656 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N2CC[C@@H](C(C)(C)C)C2)cc1)C(=O)[O-] ZINC001592860560 979691289 /nfs/dbraw/zinc/69/12/89/979691289.db2.gz JMZSYFDLMFDGTQ-UKRRQHHQSA-N -1 0 332.444 3.850 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N2CC(C3CCCCC3)C2)cc1)C(=O)[O-] ZINC001592860711 979693232 /nfs/dbraw/zinc/69/32/32/979693232.db2.gz LQPIDNQNBGSLLB-CQSZACIVSA-N -1 0 344.455 3.994 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N2CC=CC23CCCC3)cc1)C(=O)[O-] ZINC001592860687 979693311 /nfs/dbraw/zinc/69/33/11/979693311.db2.gz LHPBINXTNWESDY-CQSZACIVSA-N -1 0 328.412 3.666 20 0 EHADRM CC[C@](CNC(=O)c1ccccc1C(F)F)(C(=O)[O-])c1ccccc1 ZINC001595163387 979695782 /nfs/dbraw/zinc/69/57/82/979695782.db2.gz OECLBZCWLKFLFB-LJQANCHMSA-N -1 0 347.361 3.787 20 0 EHADRM Cc1ccccc1C1CCN(C(=O)/C=C/c2cc(C(=O)[O-])co2)CC1 ZINC000864109446 979699850 /nfs/dbraw/zinc/69/98/50/979699850.db2.gz SVBOLRNOVQATPH-VOTSOKGWSA-N -1 0 339.391 3.706 20 0 EHADRM C[C@@H]1CCN(C(=O)/C=C/c2cc(C(=O)[O-])co2)[C@@H](c2ccco2)C1 ZINC000864113208 979705207 /nfs/dbraw/zinc/70/52/07/979705207.db2.gz LWFFEQKBCWVKHI-XDSYMSCESA-N -1 0 329.352 3.584 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000864113962 979705968 /nfs/dbraw/zinc/70/59/68/979705968.db2.gz YPARUJBODJLMJR-KRWDZBQOSA-N -1 0 325.408 3.787 20 0 EHADRM CN(C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)[C@H](C(=O)[O-])c1ccccc1 ZINC000864117202 979710715 /nfs/dbraw/zinc/71/07/15/979710715.db2.gz LFUOLUQHNNSCNL-QRVBRYPASA-N -1 0 337.419 3.855 20 0 EHADRM O=C([O-])C1(CNC(=O)CCc2ccc(F)c3ccccc23)CCCC1 ZINC000864121585 979717988 /nfs/dbraw/zinc/71/79/88/979717988.db2.gz GPSKSKZDXWVUCG-UHFFFAOYSA-N -1 0 343.398 3.673 20 0 EHADRM COc1cc(C)cc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)c1C ZINC000864121571 979718044 /nfs/dbraw/zinc/71/80/44/979718044.db2.gz GJSASBSENPULAR-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N[C@@H]2CC23CCCCC3)cc1)C(=O)[O-] ZINC001592868307 979719441 /nfs/dbraw/zinc/71/94/41/979719441.db2.gz XNSNGAQXOVXJLQ-XJKSGUPXSA-N -1 0 330.428 3.794 20 0 EHADRM Cc1ccc(C(=O)N2CCSC3(CCCCC3)C2)cc1C(=O)[O-] ZINC000864129595 979730117 /nfs/dbraw/zinc/73/01/17/979730117.db2.gz MSBNXRXNVKMPGN-UHFFFAOYSA-N -1 0 333.453 3.585 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)/C=C/c1ccccc1C(F)(F)F ZINC000864133652 979736126 /nfs/dbraw/zinc/73/61/26/979736126.db2.gz WEAJYNYDPJDZNC-XEHSLEBBSA-N -1 0 341.329 3.574 20 0 EHADRM C[C@H](Cc1ccc(NC(=S)Nc2ccc(Cl)nc2)cc1)C(=O)[O-] ZINC001592877665 979745497 /nfs/dbraw/zinc/74/54/97/979745497.db2.gz OLYCEOHMGPIKQB-SNVBAGLBSA-N -1 0 349.843 3.807 20 0 EHADRM C[C@H](Cc1ccc(NC(=S)N[C@H]2CCCC[C@H]2C)cc1)C(=O)[O-] ZINC001592878138 979747643 /nfs/dbraw/zinc/74/76/43/979747643.db2.gz VANOSAKUPBBCIR-IOASZLSFSA-N -1 0 334.485 3.815 20 0 EHADRM Cc1cc2c(CC(=O)N3CC[C@H](C)C[C@@H]3C(=O)[O-])csc2s1 ZINC000864147215 979752846 /nfs/dbraw/zinc/75/28/46/979752846.db2.gz IAGVHGMDSNXOEC-TVQRCGJNSA-N -1 0 337.466 3.525 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000864149641 979758081 /nfs/dbraw/zinc/75/80/81/979758081.db2.gz UNRJZXWQBVAWLE-WOJBJXKFSA-N -1 0 331.456 3.605 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC001592891063 979781934 /nfs/dbraw/zinc/78/19/34/979781934.db2.gz LWXUKXROGRGJLY-ZBEGNZNMSA-N -1 0 349.789 3.600 20 0 EHADRM Cc1cccc2sc(C(=O)N[C@@H]3CC=C(C(=O)[O-])C3)c(Cl)c21 ZINC000864165925 979789458 /nfs/dbraw/zinc/78/94/58/979789458.db2.gz RBLYAFXDCJQOQM-SNVBAGLBSA-N -1 0 335.812 3.766 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)C=C2CCC(C)CC2)cc1F)C(=O)[O-] ZINC000864171382 979801261 /nfs/dbraw/zinc/80/12/61/979801261.db2.gz XJEJKQDPLYTKII-KIYNQFGBSA-N -1 0 335.375 3.753 20 0 EHADRM CC[C@H](COC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC001595182627 979808029 /nfs/dbraw/zinc/80/80/29/979808029.db2.gz IXEKNDPHMWBSPH-SECBINFHSA-N -1 0 339.800 3.731 20 0 EHADRM CC[C@H](COC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1)C(=O)[O-] ZINC001595183452 979816526 /nfs/dbraw/zinc/81/65/26/979816526.db2.gz PWZWIJZWHZROFC-QWHCGFSZSA-N -1 0 330.380 3.606 20 0 EHADRM CC[C@@H](COC(=O)c1cnc(-c2ccccc2Cl)s1)C(=O)[O-] ZINC001595183661 979819912 /nfs/dbraw/zinc/81/99/12/979819912.db2.gz QSUKMAQRAAAFMQ-VIFPVBQESA-N -1 0 339.800 3.731 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)NCC2CCC(F)(F)CC2)c1 ZINC000864177455 979822160 /nfs/dbraw/zinc/82/21/60/979822160.db2.gz NSWLQKMNHXSFEL-UHFFFAOYSA-N -1 0 331.746 3.594 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000864189102 979838451 /nfs/dbraw/zinc/83/84/51/979838451.db2.gz JJSPVTSTUAJLCZ-OCBCSQNSSA-N -1 0 341.382 3.831 20 0 EHADRM C[C@H](Cc1ccsc1)N(C)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001592907413 979855422 /nfs/dbraw/zinc/85/54/22/979855422.db2.gz YWMGDZRHNJDLCV-SNVBAGLBSA-N -1 0 337.828 3.803 20 0 EHADRM C[C@H](CC(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)[O-])c1ccco1 ZINC000864195946 979858230 /nfs/dbraw/zinc/85/82/30/979858230.db2.gz ICPIOCSBUAOPLD-KZULUSFZSA-N -1 0 349.814 3.629 20 0 EHADRM C[C@H](Cc1cncc2ccccc21)C(=O)O[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001592909448 979873757 /nfs/dbraw/zinc/87/37/57/979873757.db2.gz XUSIUTUDMLRANE-FSPWUOQZSA-N -1 0 341.407 3.600 20 0 EHADRM CC(Cl)(Cl)C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001592912685 979880180 /nfs/dbraw/zinc/88/01/80/979880180.db2.gz KYMZBKPIXMKAFD-UHFFFAOYSA-N -1 0 345.226 3.507 20 0 EHADRM CSCCCCCCC(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000864228929 979922181 /nfs/dbraw/zinc/92/21/81/979922181.db2.gz SLJNNDCRQXOGJM-AWEZNQCLSA-N -1 0 335.469 3.905 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)[C@@H](C)c2ccccc2F)c1 ZINC000864230370 979928139 /nfs/dbraw/zinc/92/81/39/979928139.db2.gz WJAMEGYRCCJLIY-SUMWQHHRSA-N -1 0 329.371 3.570 20 0 EHADRM CC[C@H](CSc1ccccc1)NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001595203491 979965149 /nfs/dbraw/zinc/96/51/49/979965149.db2.gz NZPGJIQTMONPCR-VNQPRFMTSA-N -1 0 335.469 3.565 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC001595211131 979989084 /nfs/dbraw/zinc/98/90/84/979989084.db2.gz PZUXTPCIDSNUGX-QAPCUYQASA-N -1 0 343.398 3.645 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001595212129 979996664 /nfs/dbraw/zinc/99/66/64/979996664.db2.gz XCJFMXFXPAUQIA-OAHLLOKOSA-N -1 0 343.398 3.969 20 0 EHADRM CC[C@H](Cc1ccccc1)N(C)C(=O)NCC(CC)(CC)C(=O)[O-] ZINC001595212229 979997805 /nfs/dbraw/zinc/99/78/05/979997805.db2.gz YLFAKDODKVVYTL-MRXNPFEDSA-N -1 0 334.460 3.540 20 0 EHADRM CC[C@H](Cc1ccccc1)NC(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001595212665 980001621 /nfs/dbraw/zinc/00/16/21/980001621.db2.gz GQMDFHYKRNCWFR-QGZVFWFLSA-N -1 0 346.471 3.732 20 0 EHADRM CC(F)(F)c1ccc(C(=O)OCC(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC001592944020 980018265 /nfs/dbraw/zinc/01/82/65/980018265.db2.gz GAXMXPNXFZVQOO-UHFFFAOYSA-N -1 0 348.301 3.536 20 0 EHADRM Cc1cscc1CNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000579805235 1014622106 /nfs/dbraw/zinc/62/21/06/1014622106.db2.gz TVXDKFQEVUDGDC-HOTGVXAUSA-N -1 0 344.436 3.556 20 0 EHADRM CC[C@@H](Cc1cn(C2c3ccccc3-c3ccccc32)nn1)C(=O)[O-] ZINC001595218110 980030158 /nfs/dbraw/zinc/03/01/58/980030158.db2.gz JUEVULLWNPYDLF-ZDUSSCGKSA-N -1 0 333.391 3.550 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001595219480 980039583 /nfs/dbraw/zinc/03/95/83/980039583.db2.gz OZXFYOVJCFIAOF-CQSZACIVSA-N -1 0 343.398 3.717 20 0 EHADRM Cc1ccc(CN2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1C(=O)[O-] ZINC000872157894 980039908 /nfs/dbraw/zinc/03/99/08/980039908.db2.gz VYMACFSFFNRUDV-GOSISDBHSA-N -1 0 347.361 3.545 20 0 EHADRM CCC(CC)[C@H](NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)c1ccccc1 ZINC000872703584 980082269 /nfs/dbraw/zinc/08/22/69/980082269.db2.gz YOIQCRXVLNCTBS-SCTDSRPQSA-N -1 0 347.455 3.550 20 0 EHADRM Cc1occ(C(F)(F)F)c1C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000872718538 980099180 /nfs/dbraw/zinc/09/91/80/980099180.db2.gz WBIJAJLLGNNFDI-UHFFFAOYSA-N -1 0 347.333 3.762 20 0 EHADRM CC[C@](NC(=O)[C@@H]1CCC(F)(F)C1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595237097 980141817 /nfs/dbraw/zinc/14/18/17/980141817.db2.gz WZNXJZBAYORTTQ-QLJPJBMISA-N -1 0 345.773 3.582 20 0 EHADRM CC[C@](NC(=O)C[C@H]1CC=CCC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595238558 980155816 /nfs/dbraw/zinc/15/58/16/980155816.db2.gz STKOMSLBPOBOCK-SCLBCKFNSA-N -1 0 335.831 3.893 20 0 EHADRM O=C([O-])CCCC(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000872982324 980162243 /nfs/dbraw/zinc/16/22/43/980162243.db2.gz HPWGKHXOOGTTJE-ZDUSSCGKSA-N -1 0 343.345 3.666 20 0 EHADRM Cc1ccc(CO)c(Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1 ZINC001211491682 1014634712 /nfs/dbraw/zinc/63/47/12/1014634712.db2.gz ABSHHQSEWFFRMX-UHFFFAOYSA-N -1 0 325.286 3.948 20 0 EHADRM C[C@@H](C(=O)N[C@@H](C)[C@@H](Cc1ccccc1)C(=O)[O-])[C@H](C)C(C)(C)C ZINC001592990580 980180445 /nfs/dbraw/zinc/18/04/45/980180445.db2.gz RCKHUWXSGFFXFC-WBTNSWJXSA-N -1 0 333.472 3.753 20 0 EHADRM CC[C@@H](NC(=O)N1CCC[C@@](C)(C(=O)[O-])C1)c1ccc(Cl)s1 ZINC001595247223 980189264 /nfs/dbraw/zinc/18/92/64/980189264.db2.gz JYVUYKHXTSWPJY-MEBBXXQBSA-N -1 0 344.864 3.749 20 0 EHADRM C[C@H](NC(=O)C12CCC(CC1)C2(C)C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001592999349 980212334 /nfs/dbraw/zinc/21/23/34/980212334.db2.gz YCJLYJRAMHBYFN-GGXMVYKUSA-N -1 0 343.467 3.651 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCc1ccc(C(F)F)cc1)C1CCCC1 ZINC000887326766 980218924 /nfs/dbraw/zinc/21/89/24/980218924.db2.gz MJGSBMPSYVVGGL-HNNXBMFYSA-N -1 0 339.382 3.707 20 0 EHADRM CC[C@@H](NC(=O)NCCCCCCC(=O)[O-])c1ccc(F)cc1F ZINC001595253548 980232640 /nfs/dbraw/zinc/23/26/40/980232640.db2.gz SSHKQLNBCXYZCV-OAHLLOKOSA-N -1 0 342.386 3.750 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])s1)c1cc(F)ccc1F ZINC001595257686 980248557 /nfs/dbraw/zinc/24/85/57/980248557.db2.gz TZOPYMAOCMPJNY-LLVKDONJSA-N -1 0 340.351 3.997 20 0 EHADRM CC[C@H](NC(=O)c1ccc(C(=O)[O-])n1C)c1cccc2ccccc21 ZINC001595265797 980277309 /nfs/dbraw/zinc/27/73/09/980277309.db2.gz FXWBEQYRVUCSSS-INIZCTEOSA-N -1 0 336.391 3.758 20 0 EHADRM CCc1oc(CN(C)Cc2nc(C(F)(F)F)cs2)cc1C(=O)[O-] ZINC000901440325 980289421 /nfs/dbraw/zinc/28/94/21/980289421.db2.gz ZSGCLWJGZCQJAF-UHFFFAOYSA-N -1 0 348.346 3.648 20 0 EHADRM COc1ccc(CN2Cc3ccc(C(=O)[O-])cc3C2)cc1OC(F)F ZINC000901646221 980423596 /nfs/dbraw/zinc/42/35/96/980423596.db2.gz LITMBNQNOXEAMR-UHFFFAOYSA-N -1 0 349.333 3.511 20 0 EHADRM CC[C@](NCc1ncc(C2CC2)o1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595305839 980451717 /nfs/dbraw/zinc/45/17/17/980451717.db2.gz NPJDMRRRWRJWSZ-QGZVFWFLSA-N -1 0 334.803 3.685 20 0 EHADRM COCc1cc(NCc2cnc(C3CCC3)s2)cc(C(=O)[O-])c1 ZINC000901732863 980469990 /nfs/dbraw/zinc/46/99/90/980469990.db2.gz MVKKAICZXDETSN-UHFFFAOYSA-N -1 0 332.425 3.867 20 0 EHADRM CC[C@H](Nc1ncc(C(=O)[O-])cc1Cl)c1ccc2c(c1)OCCO2 ZINC001595322920 980518192 /nfs/dbraw/zinc/51/81/92/980518192.db2.gz ODQCLIDPXRNTNG-ZDUSSCGKSA-N -1 0 348.786 3.768 20 0 EHADRM O=C([O-])[C@@]1(C(F)(F)F)CCN(Cc2csc(C(F)(F)F)c2)C1 ZINC000901790134 980522106 /nfs/dbraw/zinc/52/21/06/980522106.db2.gz SWLLYINWRYJLDI-SNVBAGLBSA-N -1 0 347.280 3.606 20 0 EHADRM COC[C@@H](C)Oc1ccc(CNc2cccc([C@@H](C)C(=O)[O-])c2)cc1 ZINC000901817138 980537361 /nfs/dbraw/zinc/53/73/61/980537361.db2.gz YKDIHFQSLFYBDG-HUUCEWRRSA-N -1 0 343.423 3.901 20 0 EHADRM Cc1cc([C@@H](NCc2ncc(C(F)(F)F)s2)C(=O)[O-])ccc1F ZINC000901843387 980564757 /nfs/dbraw/zinc/56/47/57/980564757.db2.gz PASGNUYHRKRZAN-GFCCVEGCSA-N -1 0 348.321 3.525 20 0 EHADRM Cc1csc(CN[C@@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])n1 ZINC000901844997 980567398 /nfs/dbraw/zinc/56/73/98/980567398.db2.gz VCFNQRJYJLNOOM-HOCLYGCPSA-N -1 0 330.453 3.505 20 0 EHADRM CC[C@@H](OC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccc(F)cc1F ZINC001595338816 980610283 /nfs/dbraw/zinc/61/02/83/980610283.db2.gz WYBJKJFYNGYZAH-BMWLXYDHSA-N -1 0 336.290 3.964 20 0 EHADRM CC[C@H](OC(=O)c1cc(C)c(C(=O)[O-])o1)c1cc(C)ccc1OC ZINC001595346303 980635156 /nfs/dbraw/zinc/63/51/56/980635156.db2.gz ZPPYSBUVUAGACG-ZDUSSCGKSA-N -1 0 332.352 3.911 20 0 EHADRM CC[C@H](OC(=O)c1ccccc1C(=O)c1ccc(C)c(C)c1)C(=O)[O-] ZINC001595351670 980659758 /nfs/dbraw/zinc/65/97/58/980659758.db2.gz JDZDPDPNYYBNCO-KRWDZBQOSA-N -1 0 340.375 3.554 20 0 EHADRM CO[C@@H]1CCN(Cc2ccc(-c3ccccc3Cl)o2)[C@H](C(=O)[O-])C1 ZINC000902032046 980704276 /nfs/dbraw/zinc/70/42/76/980704276.db2.gz OYPACBFNXLOBCI-WBMJQRKESA-N -1 0 349.814 3.664 20 0 EHADRM CC[C@H](OCCOC(=O)c1cscc1C(=O)[O-])c1ccccc1 ZINC001595356822 980716080 /nfs/dbraw/zinc/71/60/80/980716080.db2.gz OMYWSVNFDIMKKY-HNNXBMFYSA-N -1 0 334.393 3.771 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001595356811 980716221 /nfs/dbraw/zinc/71/62/21/980716221.db2.gz NZWWOESLOGDYNR-MRXNPFEDSA-N -1 0 345.370 3.937 20 0 EHADRM CC[C@@H](Oc1ccccc1Cl)C(=O)Oc1cccc(C(=O)[O-])c1 ZINC001595357715 980724912 /nfs/dbraw/zinc/72/49/12/980724912.db2.gz KSDDNSBHMHEVKT-CQSZACIVSA-N -1 0 334.755 3.801 20 0 EHADRM O=C([O-])CCC[C@@H]1CCC[C@H](Nc2ccc(Cn3cncn3)cc2)C1 ZINC000902101108 980734509 /nfs/dbraw/zinc/73/45/09/980734509.db2.gz LIBTWKAECNCABO-YJBOKZPZSA-N -1 0 342.443 3.552 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)Nc1cc(C)c(C(=O)[O-])c(C)n1 ZINC001595359387 980741105 /nfs/dbraw/zinc/74/11/05/980741105.db2.gz ZOAMUWPZZNLFRS-AWEZNQCLSA-N -1 0 344.436 3.906 20 0 EHADRM Cc1ccc(NC(=O)C(C)C)cc1NCc1ccc(/C=C/C(=O)[O-])o1 ZINC000902124291 980746522 /nfs/dbraw/zinc/74/65/22/980746522.db2.gz AWNACBRCKVEOEV-CMDGGOBGSA-N -1 0 342.395 3.892 20 0 EHADRM C[C@H](Nc1cccc(COCC(F)(F)C(F)F)c1)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000902141448 980753714 /nfs/dbraw/zinc/75/37/14/980753714.db2.gz YJACQAWNCSEFEU-XDTLVQLUSA-N -1 0 349.324 3.625 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cc2ncccc2o1 ZINC001595360967 980757885 /nfs/dbraw/zinc/75/78/85/980757885.db2.gz RCPXWICAXJMVKD-HNNXBMFYSA-N -1 0 338.363 3.506 20 0 EHADRM CC(C)(C)[S@](=O)Cc1cccc(NCCC(C)(C)C(=O)[O-])c1 ZINC000902270703 980811016 /nfs/dbraw/zinc/81/10/16/980811016.db2.gz OGBZAMILDWOOIQ-JOCHJYFZSA-N -1 0 325.474 3.647 20 0 EHADRM CC(=O)N(C)c1cccc(N[C@@H]2CCC[C@@H](CCCC(=O)[O-])C2)c1 ZINC000902294614 980821386 /nfs/dbraw/zinc/82/13/86/980821386.db2.gz WTKBRRBNHHKNOI-JKSUJKDBSA-N -1 0 332.444 3.895 20 0 EHADRM CCc1oc(CNc2ccc(O[C@H]3CC3(F)F)cc2)cc1C(=O)[O-] ZINC000902341882 980841055 /nfs/dbraw/zinc/84/10/55/980841055.db2.gz RVBASHMFSWWJQR-HNNXBMFYSA-N -1 0 337.322 3.939 20 0 EHADRM CCC1(CC)[C@H](OC)C[C@@H]1Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001595373282 980871547 /nfs/dbraw/zinc/87/15/47/980871547.db2.gz GSTXNQAMHFJNFS-JKSUJKDBSA-N -1 0 328.412 3.939 20 0 EHADRM CCC1(CC)CCCN(C(=O)Nc2cc(C(=O)[O-])cnc2Cl)C1 ZINC001595374301 980882244 /nfs/dbraw/zinc/88/22/44/980882244.db2.gz BMZAJLJEUGASAZ-UHFFFAOYSA-N -1 0 339.823 3.867 20 0 EHADRM CCC1(CC)CN(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)C1 ZINC001595375321 980894388 /nfs/dbraw/zinc/89/43/88/980894388.db2.gz FMSHGZZMINCJIE-UHFFFAOYSA-N -1 0 328.771 3.831 20 0 EHADRM CCc1oc(CNCc2cc(C3CC3)ccc2OC)cc1C(=O)[O-] ZINC000902506615 980913551 /nfs/dbraw/zinc/91/35/51/980913551.db2.gz SAVPKAJEJJYEIR-UHFFFAOYSA-N -1 0 329.396 3.716 20 0 EHADRM O=C([O-])c1ccc2[nH]cc(C3CCN(Cc4cscn4)CC3)c2c1 ZINC000902568144 980937444 /nfs/dbraw/zinc/93/74/44/980937444.db2.gz IFXYWRDINJIGCV-UHFFFAOYSA-N -1 0 341.436 3.702 20 0 EHADRM CCC1=C(C(=O)[O-])[C@H](c2cc(Cl)cs2)NC(=O)N1CC1CC1 ZINC001595399427 980971634 /nfs/dbraw/zinc/97/16/34/980971634.db2.gz OMXRRQIXGLUDNI-ZDUSSCGKSA-N -1 0 340.832 3.627 20 0 EHADRM CC[C@H]1C[C@H](CC(=O)N2CCCc3c(C(=O)[O-])ccc(C)c32)CCO1 ZINC001595407851 980995114 /nfs/dbraw/zinc/99/51/14/980995114.db2.gz FNWVPXAUZHRJBX-CABCVRRESA-N -1 0 345.439 3.568 20 0 EHADRM CC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001595435412 981064438 /nfs/dbraw/zinc/06/44/38/981064438.db2.gz JMGODTBADYAMPZ-PWSUYJOCSA-N -1 0 341.354 3.794 20 0 EHADRM CC[C@@H]1CCC[C@H]1C(=O)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001595435724 981066238 /nfs/dbraw/zinc/06/62/38/981066238.db2.gz MAIAKWQECITUHG-LERXQTSPSA-N -1 0 343.345 3.774 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1CNC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001595440445 981077078 /nfs/dbraw/zinc/07/70/78/981077078.db2.gz KFLPKWNJRTZTPN-NVXWUHKLSA-N -1 0 332.444 3.743 20 0 EHADRM CC[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC001595441246 981078902 /nfs/dbraw/zinc/07/89/02/981078902.db2.gz OZOQDGWZVKJWLN-YRGRVCCFSA-N -1 0 337.391 3.833 20 0 EHADRM CC[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001595444259 981087078 /nfs/dbraw/zinc/08/70/78/981087078.db2.gz LSZHBBDWQOBRSS-WFASDCNBSA-N -1 0 334.416 3.826 20 0 EHADRM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001595448080 981097367 /nfs/dbraw/zinc/09/73/67/981097367.db2.gz LSHWNCMJZZSZIT-YVEFUNNKSA-N -1 0 344.411 3.790 20 0 EHADRM CC[C@@H]1CCCc2sc(NC(=O)Nc3cc(C(=O)[O-])n(C)c3)nc21 ZINC001595459840 981140494 /nfs/dbraw/zinc/14/04/94/981140494.db2.gz NGGSDRNURJVTBH-SECBINFHSA-N -1 0 348.428 3.654 20 0 EHADRM O=C([O-])c1cc2cccnc2c(N[C@@H]2CC[C@H]3COCC[C@@H]3C2)c1 ZINC000905761870 981145804 /nfs/dbraw/zinc/14/58/04/981145804.db2.gz UYBLAYQFUCHPHO-IVMMDQJWSA-N -1 0 326.396 3.550 20 0 EHADRM CN(Cc1ccc(Cl)s1)C(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC000907563486 981191649 /nfs/dbraw/zinc/19/16/49/981191649.db2.gz DLUUDOMFYPNRRR-SUMWQHHRSA-N -1 0 349.839 3.618 20 0 EHADRM C[C@@](CNC(=O)c1ccccc1C1CCC1)(C(=O)[O-])c1ccccc1 ZINC000907645613 981204056 /nfs/dbraw/zinc/20/40/56/981204056.db2.gz IMBHMMVEPUTNGS-NRFANRHFSA-N -1 0 337.419 3.726 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(F)c3occc32)[C@H]2CCCC[C@H]12 ZINC000907705232 981209149 /nfs/dbraw/zinc/20/91/49/981209149.db2.gz WBLGLIHQOAINNT-XFJVYGCCSA-N -1 0 345.370 3.677 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)CC1 ZINC000907991982 981251957 /nfs/dbraw/zinc/25/19/57/981251957.db2.gz VRJWUQKYXTVEFS-HZPDHXFCSA-N -1 0 341.407 3.753 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC000908277927 981293953 /nfs/dbraw/zinc/29/39/53/981293953.db2.gz NSJDINKDLXNEDR-ZBFHGGJFSA-N -1 0 347.455 3.586 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1cscc1C(F)F)CC1CCCC1 ZINC000908291353 981297729 /nfs/dbraw/zinc/29/77/29/981297729.db2.gz NAUYXAOXBBUVTC-JTQLQIEISA-N -1 0 331.384 3.697 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)[C@H]2Cc3ccc(Cl)cc32)CCC1 ZINC000908332456 981300330 /nfs/dbraw/zinc/30/03/30/981300330.db2.gz GLMOUSDWVASHMB-HNNXBMFYSA-N -1 0 335.831 3.521 20 0 EHADRM CSCc1ccc(C(=O)NCCCCC2(C(=O)[O-])CCC2)cc1 ZINC000908340459 981304797 /nfs/dbraw/zinc/30/47/97/981304797.db2.gz XYDWDRCFKIQMML-UHFFFAOYSA-N -1 0 335.469 3.705 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)c2ccccc2Oc2ccccc2)C1 ZINC000908365058 981307869 /nfs/dbraw/zinc/30/78/69/981307869.db2.gz BUDPZZJJXVCCRZ-CABCVRRESA-N -1 0 339.391 3.852 20 0 EHADRM COc1c(NC(=O)COc2ccccc2C(C)C)cccc1C(=O)[O-] ZINC000908506197 981319390 /nfs/dbraw/zinc/31/93/90/981319390.db2.gz BFDQASZAZDQGGO-UHFFFAOYSA-N -1 0 343.379 3.534 20 0 EHADRM CC(C)Oc1cccc(CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC000908713069 981345018 /nfs/dbraw/zinc/34/50/18/981345018.db2.gz MOTUKNRXRCFUFT-UHFFFAOYSA-N -1 0 345.439 3.515 20 0 EHADRM CCCCOc1cccc(CNC(=O)C23CCC(C(=O)[O-])(CC2)C3)c1 ZINC000908718027 981345976 /nfs/dbraw/zinc/34/59/76/981345976.db2.gz PTKIRMOETGOILM-UHFFFAOYSA-N -1 0 345.439 3.517 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000908746771 981352731 /nfs/dbraw/zinc/35/27/31/981352731.db2.gz DUAVQAGWRIHDET-OAHLLOKOSA-N -1 0 325.364 3.578 20 0 EHADRM C[C@H](NC(=O)C12CCC(C(=O)[O-])(CC1)CC2)C(C)(C)c1ccccc1 ZINC000908774168 981360895 /nfs/dbraw/zinc/36/08/95/981360895.db2.gz PEWCNSHPINVKBD-VUZGARFFSA-N -1 0 343.467 3.894 20 0 EHADRM Cc1ccccc1C1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)C3)CC1 ZINC000908788333 981362971 /nfs/dbraw/zinc/36/29/71/981362971.db2.gz RYEGRNPGPRIQSB-UHFFFAOYSA-N -1 0 341.451 3.736 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC000908799818 981364538 /nfs/dbraw/zinc/36/45/38/981364538.db2.gz BOCINRHLARFXHU-XNJGSVPQSA-N -1 0 340.423 3.588 20 0 EHADRM CC(C)(CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2)c1cccs1 ZINC000908802984 981365893 /nfs/dbraw/zinc/36/58/93/981365893.db2.gz KVIOFFZSAFFGFM-UHFFFAOYSA-N -1 0 335.469 3.567 20 0 EHADRM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)c1ccoc1CC(=O)[O-] ZINC000908825215 981368763 /nfs/dbraw/zinc/36/87/63/981368763.db2.gz DGSSYRDPZIALEA-CQSZACIVSA-N -1 0 341.407 3.910 20 0 EHADRM CCC[C@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-])c1ccccc1 ZINC001595535755 981378010 /nfs/dbraw/zinc/37/80/10/981378010.db2.gz GKLMIXZPEZEJNH-ZWKOTPCHSA-N -1 0 343.398 3.522 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1[nH]ccc1C1CC1 ZINC000908902758 981386181 /nfs/dbraw/zinc/38/61/81/981386181.db2.gz XHHBFWVSEBDZBD-UHFFFAOYSA-N -1 0 328.368 3.630 20 0 EHADRM CCC[C@@H](C(=O)O[C@H](C(=O)[O-])c1ccccc1Cl)c1ccccn1 ZINC001595538148 981390036 /nfs/dbraw/zinc/39/00/36/981390036.db2.gz QBFPIOWCCZAYRU-CJNGLKHVSA-N -1 0 347.798 3.988 20 0 EHADRM C[C@H](c1ccc(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)cc1)C(F)(F)F ZINC000908968465 981393028 /nfs/dbraw/zinc/39/30/28/981393028.db2.gz ICEVPECMDODKHR-SKDRFNHKSA-N -1 0 331.334 3.582 20 0 EHADRM CCCCOc1ccc(C(=O)NC2(CC(=O)[O-])CCC2)c(Cl)c1 ZINC000909067233 981410597 /nfs/dbraw/zinc/41/05/97/981410597.db2.gz JWXJMRRSRZVYNC-UHFFFAOYSA-N -1 0 339.819 3.646 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C[C@H](c1ccc(O)cc1)C1CC1 ZINC000909082403 981414606 /nfs/dbraw/zinc/41/46/06/981414606.db2.gz ABWDTQYFTAROHO-KRWDZBQOSA-N -1 0 339.391 3.921 20 0 EHADRM CCC[C@@](C)(NC(=O)CCCOc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001595546892 981415426 /nfs/dbraw/zinc/41/54/26/981415426.db2.gz HSONTHCJEDHSBN-HXUWFJFHSA-N -1 0 349.471 3.903 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C1(C2CCCCC2)CC1 ZINC000909159095 981429211 /nfs/dbraw/zinc/42/92/11/981429211.db2.gz IZWMNEVYUZIMOR-UHFFFAOYSA-N -1 0 331.412 3.757 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])cc2C)c2c1CCC2 ZINC000909168835 981430698 /nfs/dbraw/zinc/43/06/98/981430698.db2.gz XVXCOLYLKOVQHT-UHFFFAOYSA-N -1 0 339.391 3.508 20 0 EHADRM CC1(C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)CCCCC1 ZINC000909266678 981453114 /nfs/dbraw/zinc/45/31/14/981453114.db2.gz HUGWENYNETVTBX-UHFFFAOYSA-N -1 0 333.428 3.517 20 0 EHADRM C[C@@H](C(=O)NCC1(C(=O)[O-])CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000909275051 981456863 /nfs/dbraw/zinc/45/68/63/981456863.db2.gz BMEJVWUQVBDJIJ-LLVKDONJSA-N -1 0 343.345 3.570 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1C1CC1 ZINC000909283921 981458470 /nfs/dbraw/zinc/45/84/70/981458470.db2.gz UFTCYNJQYDUTBM-UHFFFAOYSA-N -1 0 339.391 3.842 20 0 EHADRM CCC/C(C)=C/C(=O)N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001595567328 981467341 /nfs/dbraw/zinc/46/73/41/981467341.db2.gz YLHPZWCUKBLZJE-ATWMFIQVSA-N -1 0 329.318 3.694 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@H]1CCC[C@@H]1c1ccccc1)CC2 ZINC000909450830 981495049 /nfs/dbraw/zinc/49/50/49/981495049.db2.gz OQYVRNOHHDUHIJ-UXHICEINSA-N -1 0 349.430 3.853 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cccc3cc(O)ccc32)C1 ZINC000909491355 981508873 /nfs/dbraw/zinc/50/88/73/981508873.db2.gz HNIXBRLQYYLBHG-CQSZACIVSA-N -1 0 341.407 3.508 20 0 EHADRM CCC[C@@H](CC(C)C)C(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001595579662 981509135 /nfs/dbraw/zinc/50/91/35/981509135.db2.gz SGQQFAGSGICOGS-OXJNMPFZSA-N -1 0 331.456 3.704 20 0 EHADRM CCC[C@H](CC(C)C)C(=O)N1c2c(cccc2C(=O)[O-])NC(=O)[C@@H]1C ZINC001595580111 981513999 /nfs/dbraw/zinc/51/39/99/981513999.db2.gz ZFGATSZOACVNSO-QWHCGFSZSA-N -1 0 346.427 3.521 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CCc1ncc(C(C)(C)C)o1 ZINC000909513048 981520842 /nfs/dbraw/zinc/52/08/42/981520842.db2.gz NAPOMPGNFWRLLK-UHFFFAOYSA-N -1 0 344.411 3.858 20 0 EHADRM CCC[C@H](CC(C)C)C(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1 ZINC001595586199 981530018 /nfs/dbraw/zinc/53/00/18/981530018.db2.gz RNDNOKYRPRSSMT-GFCCVEGCSA-N -1 0 335.400 3.572 20 0 EHADRM CCC[C@H](CC)C(=O)N[C@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001595586211 981530435 /nfs/dbraw/zinc/53/04/35/981530435.db2.gz SBUWZZMHJZXVJR-YXJHDRRASA-N -1 0 331.456 3.892 20 0 EHADRM Cc1ccc(-c2ncco2)cc1NC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000909556705 981540692 /nfs/dbraw/zinc/54/06/92/981540692.db2.gz WZEPXVJOKRYOTG-UHFFFAOYSA-N -1 0 340.379 3.624 20 0 EHADRM CCC[C@H](NC(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC001595599643 981572985 /nfs/dbraw/zinc/57/29/85/981572985.db2.gz DJUXCYYJKCQUIF-KRWDZBQOSA-N -1 0 342.395 3.813 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000909723359 981579168 /nfs/dbraw/zinc/57/91/68/981579168.db2.gz JROXPTRIZVAGEO-UHFFFAOYSA-N -1 0 347.798 3.580 20 0 EHADRM O=C([O-])CSCCC(=O)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000909727609 981581286 /nfs/dbraw/zinc/58/12/86/981581286.db2.gz BGGGXYVKMIHIMC-AWEZNQCLSA-N -1 0 341.860 3.602 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)CC(C)(C)CC(F)F ZINC000909751065 981589024 /nfs/dbraw/zinc/58/90/24/981589024.db2.gz SKPCPEZWXJMPKY-GFCCVEGCSA-N -1 0 327.371 3.560 20 0 EHADRM CCC[C@@H](Nc1ncc(C(=O)[O-])cc1Cl)[C@@H](O)c1ccccc1 ZINC001595605191 981591682 /nfs/dbraw/zinc/59/16/82/981591682.db2.gz XYVQFTOTCZIWFY-CABCVRRESA-N -1 0 334.803 3.747 20 0 EHADRM CCC[C@H](Nc1ncc(C(=O)[O-])cc1Cl)[C@@H](O)c1ccccc1 ZINC001595605193 981591883 /nfs/dbraw/zinc/59/18/83/981591883.db2.gz XYVQFTOTCZIWFY-GJZGRUSLSA-N -1 0 334.803 3.747 20 0 EHADRM CCc1ccc(CN[C@@H](C(=O)[O-])c2cccc(Br)c2)o1 ZINC000683175574 1014747500 /nfs/dbraw/zinc/74/75/00/1014747500.db2.gz XMOYEFXNSQTDEK-CQSZACIVSA-N -1 0 338.201 3.520 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N[C@H](CCc1ccccc1)c1ccccc1 ZINC001594746748 981635232 /nfs/dbraw/zinc/63/52/32/981635232.db2.gz BEEUNMCBAYTWNJ-ZWKOTPCHSA-N -1 0 325.408 3.588 20 0 EHADRM CCN(C)[C@@H](C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC000909841955 981663039 /nfs/dbraw/zinc/66/30/39/981663039.db2.gz VYCMPBDLILMMTR-KBXCAEBGSA-N -1 0 340.423 3.506 20 0 EHADRM CCCC1=C(C(=O)[O-])[C@H](c2ccc(C)s2)NC(=O)N1CC1CC1 ZINC001595619242 981675105 /nfs/dbraw/zinc/67/51/05/981675105.db2.gz WICCFIHWTOPBKV-HNNXBMFYSA-N -1 0 334.441 3.672 20 0 EHADRM CCC[C@@H]1CCC[C@@H]1C(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC001595620372 981688450 /nfs/dbraw/zinc/68/84/50/981688450.db2.gz FQSIWSQKHNUKLL-ZBFHGGJFSA-N -1 0 337.847 3.970 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)NCc2ccoc2C(=O)[O-])c1 ZINC000909963622 981716951 /nfs/dbraw/zinc/71/69/51/981716951.db2.gz XXTHIMVCLSGDGA-CYBMUJFWSA-N -1 0 345.395 3.577 20 0 EHADRM Cc1cccc2c1CCC[C@@H]2NC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000909992271 981732687 /nfs/dbraw/zinc/73/26/87/981732687.db2.gz TXNMFPADESUURE-RPCJCACASA-N -1 0 341.451 3.914 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1ccoc1C(F)(F)F)c1ccccc1 ZINC001594769790 981733489 /nfs/dbraw/zinc/73/34/89/981733489.db2.gz ARGCVSHNYREORF-LBPRGKRZSA-N -1 0 341.285 3.808 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1C[C@@H](c2ccc(C)cc2)C[C@H]1C ZINC000910012579 981734276 /nfs/dbraw/zinc/73/42/76/981734276.db2.gz RKCRZZSOZTWBGV-HIFRSBDPSA-N -1 0 327.380 3.613 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1cccc2c1O[C@H](C)C2)c1ccccc1 ZINC001594770084 981735823 /nfs/dbraw/zinc/73/58/23/981735823.db2.gz FMVUKFDWCNNMGV-DYVFJYSZSA-N -1 0 339.391 3.520 20 0 EHADRM C[C@@H](NC(=O)Cc1ccc(C(C)(C)C)cc1)c1ncc(C(=O)[O-])s1 ZINC000910160858 981768684 /nfs/dbraw/zinc/76/86/84/981768684.db2.gz OYSPROXVRQBDAK-LLVKDONJSA-N -1 0 346.452 3.559 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)/C(C)=C\c1ccc(C)cc1 ZINC001594778220 981773319 /nfs/dbraw/zinc/77/33/19/981773319.db2.gz LDIVEQZUZYZYSM-NLBZTSMMSA-N -1 0 329.440 3.890 20 0 EHADRM CC[C@@H](C(=O)Oc1cc(C(=O)[O-])cc(F)c1C)c1ccc(OC)cc1 ZINC001594778519 981777969 /nfs/dbraw/zinc/77/79/69/981777969.db2.gz UJBUKYGIRWBHAD-OAHLLOKOSA-N -1 0 346.354 3.940 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)Cc1ccc2c(c1)CCCC2 ZINC001594779875 981781952 /nfs/dbraw/zinc/78/19/52/981781952.db2.gz BIFQYLZZOBOILQ-NRFANRHFSA-N -1 0 343.467 3.600 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)C[C@H](C)c1cccc(OC)c1 ZINC001594782791 981792199 /nfs/dbraw/zinc/79/21/99/981792199.db2.gz SQCRHSBQPMLGKN-XOBRGWDASA-N -1 0 347.455 3.681 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@H](C)c1cccc(Cl)c1 ZINC001594782833 981793104 /nfs/dbraw/zinc/79/31/04/981793104.db2.gz UAGHDOFMPUWIGB-XIKOKIGWSA-N -1 0 337.847 3.935 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)CC[C@H]1CCc2ccccc21 ZINC001594783517 981795431 /nfs/dbraw/zinc/79/54/31/981795431.db2.gz XZCVYMJEJYIKKO-UTKZUKDTSA-N -1 0 343.467 3.989 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)o2)[C@H]2CCC[C@H]21 ZINC000910238819 981805232 /nfs/dbraw/zinc/80/52/32/981805232.db2.gz GWFLJLBCJPTFHQ-XHSDSOJGSA-N -1 0 339.391 3.662 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1ccc(OCC2CCCCC2)cc1 ZINC001594789152 981839248 /nfs/dbraw/zinc/83/92/48/981839248.db2.gz XTKLYWMOXKXKEQ-MSOLQXFVSA-N -1 0 345.439 3.629 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cccc(C(F)F)c1 ZINC001594790679 981842457 /nfs/dbraw/zinc/84/24/57/981842457.db2.gz FIJMNJSSPXOFFQ-KRWDZBQOSA-N -1 0 325.355 3.730 20 0 EHADRM CCCC[C@H](CC)CC(=O)N1c2c(cccc2C(=O)[O-])NC(=O)[C@@H]1C ZINC001595632019 981848484 /nfs/dbraw/zinc/84/84/84/981848484.db2.gz OIIGCQLJVRYPBM-STQMWFEESA-N -1 0 346.427 3.665 20 0 EHADRM CCCC[C@H](CC)CC(=O)N1c2c(cccc2C(=O)[O-])NC(=O)[C@H]1C ZINC001595632017 981848713 /nfs/dbraw/zinc/84/87/13/981848713.db2.gz OIIGCQLJVRYPBM-OLZOCXBDSA-N -1 0 346.427 3.665 20 0 EHADRM CCCC[C@H](CC)CNC(=S)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595632891 981862028 /nfs/dbraw/zinc/86/20/28/981862028.db2.gz VAMFJZAGKIGHOT-QWRGUYRKSA-N -1 0 343.518 3.583 20 0 EHADRM CCC(C)(C)C1CCC(CC(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)CC1 ZINC001594796564 981878286 /nfs/dbraw/zinc/87/82/86/981878286.db2.gz DXYIQRQFQQQYOP-XZKIIODMSA-N -1 0 335.488 3.845 20 0 EHADRM CCCC[C@H](NC(=O)/C=C/c1ccsc1C(F)(F)F)C(=O)[O-] ZINC001595634247 981883831 /nfs/dbraw/zinc/88/38/31/981883831.db2.gz BTGRJQUEDOXSNB-PORFMDCZSA-N -1 0 335.347 3.540 20 0 EHADRM CCCC[C@H](NC(=O)CCCc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001595635535 981905476 /nfs/dbraw/zinc/90/54/76/981905476.db2.gz ZRJWHWORFBEGAU-AWEZNQCLSA-N -1 0 345.361 3.788 20 0 EHADRM CCCC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1OC)C1CCC1 ZINC001595635650 981906318 /nfs/dbraw/zinc/90/63/18/981906318.db2.gz DXMUOZFPPJUZSY-CQSZACIVSA-N -1 0 334.416 3.874 20 0 EHADRM CCCC[C@H](NC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)C1CCC1 ZINC001595635859 981909418 /nfs/dbraw/zinc/90/94/18/981909418.db2.gz NWQPEHSDZYTDAO-JQWIXIFHSA-N -1 0 339.461 3.560 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)NCC1(CC2CC2)CC1)C(=O)[O-] ZINC000910411311 981921694 /nfs/dbraw/zinc/92/16/94/981921694.db2.gz YZZNRRNIYMSUDO-GFCCVEGCSA-N -1 0 333.453 3.562 20 0 EHADRM CCCC[C@H](NC(=O)c1csc(-c2ccc(CC)cc2)n1)C(=O)[O-] ZINC001595637707 981935072 /nfs/dbraw/zinc/93/50/72/981935072.db2.gz QFXZRFZUKDDPOJ-AWEZNQCLSA-N -1 0 346.452 3.746 20 0 EHADRM CCC(C)(C)c1ccc(C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC001594814218 981937146 /nfs/dbraw/zinc/93/71/46/981937146.db2.gz JACPPVRXWJFXET-GOSISDBHSA-N -1 0 339.435 3.972 20 0 EHADRM C[C@@H](Nc1nc(C2CCCC2)ns1)c1ccc(OCC(=O)[O-])cc1 ZINC000910467033 981949513 /nfs/dbraw/zinc/94/95/13/981949513.db2.gz QQUVBDYZZBHKMS-LLVKDONJSA-N -1 0 347.440 3.832 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN(C(=O)[C@H]1CCC[C@@H]1c1ccccc1)C2 ZINC000910501695 981967408 /nfs/dbraw/zinc/96/74/08/981967408.db2.gz BCJIKOYJDPRFMC-UXHICEINSA-N -1 0 349.430 3.853 20 0 EHADRM C[C@@H](CCC(=O)N1CCc2cc(C(=O)[O-])ccc2C1)c1ccccc1 ZINC000910507701 981972029 /nfs/dbraw/zinc/97/20/29/981972029.db2.gz ZNWNNJCDQZGFFT-HNNXBMFYSA-N -1 0 337.419 3.853 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc2c(Cl)cccc2nc1C ZINC001594822453 981975101 /nfs/dbraw/zinc/97/51/01/981975101.db2.gz ZHURRQIUKXZOKK-QGZVFWFLSA-N -1 0 334.803 3.570 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)NC(=O)CCc1ccccc1C(=O)[O-] ZINC000910538574 981987393 /nfs/dbraw/zinc/98/73/93/981987393.db2.gz ISEKDLKMXSYSKO-LJQANCHMSA-N -1 0 339.435 3.701 20 0 EHADRM C[C@@H](NC(=O)[C@@H](C)CC(=O)[O-])c1cccc(SC(F)(F)F)c1 ZINC000910569223 981996158 /nfs/dbraw/zinc/99/61/58/981996158.db2.gz ORQUFZHRFQQIGU-DTWKUNHWSA-N -1 0 335.347 3.587 20 0 EHADRM CCCC[C@@H](OC(=O)c1cc(C)nc2c1cnn2[C@H](C)CC)C(=O)[O-] ZINC001595650769 982012599 /nfs/dbraw/zinc/01/25/99/982012599.db2.gz NBOKQYMFWKOQCQ-IUODEOHRSA-N -1 0 347.415 3.511 20 0 EHADRM CCCC[C@@H](OC(=O)c1sc2ncccc2c1Cl)C(=O)[O-] ZINC001595651079 982016626 /nfs/dbraw/zinc/01/66/26/982016626.db2.gz BUSBEYFKWCMUAN-SECBINFHSA-N -1 0 327.789 3.750 20 0 EHADRM CCCC[C@H](S[C@H](C)C(=O)Nc1ccc(C)cc1F)C(=O)[O-] ZINC001595652192 982031801 /nfs/dbraw/zinc/03/18/01/982031801.db2.gz PUUKDBIUQMNFKJ-RISCZKNCSA-N -1 0 327.421 3.838 20 0 EHADRM CCCC[C@H](OC(=O)c1csc(-c2ccc(OC)cc2)n1)C(=O)[O-] ZINC001595652623 982035317 /nfs/dbraw/zinc/03/53/17/982035317.db2.gz VSOUGXQXIKEUAI-AWEZNQCLSA-N -1 0 349.408 3.619 20 0 EHADRM CC[C@@](C)(CNC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)OC ZINC001594836043 982036014 /nfs/dbraw/zinc/03/60/14/982036014.db2.gz ZERSUGDPAUWNSQ-INIZCTEOSA-N -1 0 336.413 3.536 20 0 EHADRM CCCC[C@H](S[C@H]1CCN(c2ccccc2Cl)C1=O)C(=O)[O-] ZINC001595654109 982040142 /nfs/dbraw/zinc/04/01/42/982040142.db2.gz ANSPRBZMRRNGRP-KBPBESRZSA-N -1 0 341.860 3.822 20 0 EHADRM CC(C)Cn1ncc(NC(=O)Cc2ccc(C(=O)[O-])cc2)c1C(C)C ZINC000910648650 982041008 /nfs/dbraw/zinc/04/10/08/982041008.db2.gz MBZUINZUJVOZOY-UHFFFAOYSA-N -1 0 343.427 3.542 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)c2cccc(CC(=O)[O-])c2)c1C1CC1 ZINC000910649367 982041296 /nfs/dbraw/zinc/04/12/96/982041296.db2.gz UYTBGJNVLLRHHH-LBPRGKRZSA-N -1 0 341.411 3.611 20 0 EHADRM CCCC[C@H](SCC(=O)N[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001595655021 982042438 /nfs/dbraw/zinc/04/24/38/982042438.db2.gz HDVMDFYTZGPIQF-HOTGVXAUSA-N -1 0 335.469 3.557 20 0 EHADRM Cc1ccc(-n2ncc(NC(=O)C[C@@H](C)CC(=O)[O-])c2C(C)C)cc1 ZINC000910659263 982046121 /nfs/dbraw/zinc/04/61/21/982046121.db2.gz SLSLJDUJMCLRME-CQSZACIVSA-N -1 0 343.427 3.744 20 0 EHADRM Cc1cc(NC(=O)c2cccc(CC(=O)[O-])c2)nn1C1CCCCC1 ZINC000910664968 982047292 /nfs/dbraw/zinc/04/72/92/982047292.db2.gz LJKVNYUNKNEVFR-UHFFFAOYSA-N -1 0 341.411 3.576 20 0 EHADRM CCCn1ncc(NC(=O)CC2(CC(=O)[O-])CCCC2)c1C1CC1 ZINC000910668393 982048472 /nfs/dbraw/zinc/04/84/72/982048472.db2.gz OUUGDWOLRHWKSQ-UHFFFAOYSA-N -1 0 333.432 3.534 20 0 EHADRM CCCC[C@@H](SCC(=O)Nc1ccc(OC)c(Cl)c1)C(=O)[O-] ZINC001595656562 982054136 /nfs/dbraw/zinc/05/41/36/982054136.db2.gz ZZSMSYDSKJDDAO-CYBMUJFWSA-N -1 0 345.848 3.664 20 0 EHADRM CCCC[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001595660466 982070351 /nfs/dbraw/zinc/07/03/51/982070351.db2.gz FRUANNTUHPPTLA-TZMCWYRMSA-N -1 0 334.416 3.874 20 0 EHADRM CCCCC1CCC(CNC(=O)NCc2ccc(C(=O)[O-])o2)CC1 ZINC001595660654 982072099 /nfs/dbraw/zinc/07/20/99/982072099.db2.gz LOWPUSVYTGOSCZ-UHFFFAOYSA-N -1 0 336.432 3.774 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)/C=C\c2ccccc2)nc1C(=O)[O-] ZINC000910722798 982085090 /nfs/dbraw/zinc/08/50/90/982085090.db2.gz MVIRLMMOXXPGTP-CMUBDUJZSA-N -1 0 342.420 3.527 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)/C=C/C2CCCCC2)nc1C(=O)[O-] ZINC000910726975 982091190 /nfs/dbraw/zinc/09/11/90/982091190.db2.gz LYNDMZVDYVQHJR-ATWMFIQVSA-N -1 0 348.468 3.950 20 0 EHADRM CCCCC[C@@H](C)NC(=O)CNc1cccc(C(=O)[O-])c1Cl ZINC001595666595 982105064 /nfs/dbraw/zinc/10/50/64/982105064.db2.gz OFJADKHBXDPBQE-LLVKDONJSA-N -1 0 326.824 3.535 20 0 EHADRM CC[C@@H](C(=O)NC1CC(CC(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC000910807203 982129123 /nfs/dbraw/zinc/12/91/23/982129123.db2.gz QHGKUTMNVNSGOD-UZANAETPSA-N -1 0 343.345 3.569 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)NCc2ncc(C(=O)[O-])s2)cc1 ZINC000910818399 982136527 /nfs/dbraw/zinc/13/65/27/982136527.db2.gz FJULHUUEAOGLBG-ARJAWSKDSA-N -1 0 344.436 3.684 20 0 EHADRM CC[C@H]1C[C@H](CC(=O)Nc2ccc(SC)c(C(=O)[O-])c2)CCO1 ZINC000910947285 982172404 /nfs/dbraw/zinc/17/24/04/982172404.db2.gz BRPHGQZLQCRZFG-YPMHNXCESA-N -1 0 337.441 3.641 20 0 EHADRM CSc1ccc(NC(=O)CO[C@@H]2CCC[C@H](C)C2)cc1C(=O)[O-] ZINC000910948907 982173743 /nfs/dbraw/zinc/17/37/43/982173743.db2.gz BOGXGUMAYOWNFP-WCQYABFASA-N -1 0 337.441 3.641 20 0 EHADRM CC(C)c1ccccc1C(=O)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC000911046899 982212359 /nfs/dbraw/zinc/21/23/59/982212359.db2.gz KHZRFQYOYGSXDA-LBPRGKRZSA-N -1 0 344.436 3.594 20 0 EHADRM CC[C@H](C)[C@@H](C)N(C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)C1CC1 ZINC001594882523 982248547 /nfs/dbraw/zinc/24/85/47/982248547.db2.gz YAMCIJSMFGBUCS-GARJFASQSA-N -1 0 339.461 3.511 20 0 EHADRM CCCCCn1cc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)c2ccccc21 ZINC001595728652 982361838 /nfs/dbraw/zinc/36/18/38/982361838.db2.gz WHKAESYKIJGXLS-FQEVSTJZSA-N -1 0 342.439 3.768 20 0 EHADRM Cc1csc(Nc2ccc(NC(=O)C[C@@H](C)CC(=O)[O-])cc2)n1 ZINC000911361738 982378700 /nfs/dbraw/zinc/37/87/00/982378700.db2.gz CNTXAAGQAGBMJV-SNVBAGLBSA-N -1 0 333.413 3.635 20 0 EHADRM CCCCN(C(=O)c1csc(C(=O)[O-])n1)[C@H](C)c1ccccc1 ZINC001595736083 982381873 /nfs/dbraw/zinc/38/18/73/982381873.db2.gz VUQWIMKYRWZHFE-GFCCVEGCSA-N -1 0 332.425 3.845 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2c(C)cc(N(C)C)cc2C)c1 ZINC000911393429 982415472 /nfs/dbraw/zinc/41/54/72/982415472.db2.gz SZNBABTZZZEHTI-UHFFFAOYSA-N -1 0 326.396 3.628 20 0 EHADRM CCCCN(Cc1ccccc1Cl)C(=O)c1ccc(C(=O)[O-])n1C ZINC001595749285 982422739 /nfs/dbraw/zinc/42/27/39/982422739.db2.gz VWYFHCNZLJZVHQ-UHFFFAOYSA-N -1 0 348.830 3.819 20 0 EHADRM CCc1nc(C)c([C@H](C)N(C)C(=O)c2cc(C)cc(C(=O)[O-])c2)s1 ZINC000911425787 982427159 /nfs/dbraw/zinc/42/71/59/982427159.db2.gz ANUNXTDDNNFTGA-LBPRGKRZSA-N -1 0 346.452 3.854 20 0 EHADRM C[C@]1(c2ccccc2)CCCN(C(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000911460061 982442515 /nfs/dbraw/zinc/44/25/15/982442515.db2.gz STOQDJXCCXIWND-IBGZPJMESA-N -1 0 327.380 3.562 20 0 EHADRM CCC[C@H](C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1)C(C)C ZINC000911597224 982528924 /nfs/dbraw/zinc/52/89/24/982528924.db2.gz ADWHQQDWUXRHCM-SFHVURJKSA-N -1 0 346.471 3.860 20 0 EHADRM CC[C@@H](C)[C@@H](Sc1nnc(-c2ccc(C)cc2)n1CC)C(=O)[O-] ZINC001594930161 982551305 /nfs/dbraw/zinc/55/13/05/982551305.db2.gz VVADQLQYPLKTGT-TZMCWYRMSA-N -1 0 333.457 3.865 20 0 EHADRM CC[C@H](C)[C@H](OC)C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC001594930676 982554396 /nfs/dbraw/zinc/55/43/96/982554396.db2.gz ZGIXSZUINMKUFZ-HZMBPMFUSA-N -1 0 339.457 3.715 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccncc2)cc1Cl ZINC000911668002 982594884 /nfs/dbraw/zinc/59/48/84/982594884.db2.gz HVWDEHQNNJNMCY-INIZCTEOSA-N -1 0 346.814 3.804 20 0 EHADRM CCCCc1ccc(C(=O)N[C@@](C)(CC(=O)[O-])c2cccnc2)cc1 ZINC001595793560 982595726 /nfs/dbraw/zinc/59/57/26/982595726.db2.gz JFNXNGICJJHNGW-FQEVSTJZSA-N -1 0 340.423 3.544 20 0 EHADRM CCCCc1ccc([C@@H](NC(=O)N2CC[C@@H](C(=O)[O-])C2)C(C)C)cc1 ZINC001595794017 982598181 /nfs/dbraw/zinc/59/81/81/982598181.db2.gz VJDYBVRLEWJEBP-MSOLQXFVSA-N -1 0 346.471 3.842 20 0 EHADRM CCCCc1ccc(CC(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])cc1 ZINC001595796459 982602215 /nfs/dbraw/zinc/60/22/15/982602215.db2.gz LBRRGETVDVNQJK-YLJYHZDGSA-N -1 0 331.456 3.721 20 0 EHADRM CCCN(C(=O)c1sc(-c2cccs2)nc1C)[C@H](C)C(=O)[O-] ZINC000911711427 982608895 /nfs/dbraw/zinc/60/88/95/982608895.db2.gz KUSUTTQITZLLOA-SNVBAGLBSA-N -1 0 338.454 3.505 20 0 EHADRM CCO[C@@H](C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C)C1CCCC1 ZINC000911732363 982617067 /nfs/dbraw/zinc/61/70/67/982617067.db2.gz BHBBHRNWVMJXJB-MRXNPFEDSA-N -1 0 349.427 3.706 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)c1[nH]c2c(cccc2Cl)c1C)C(=O)[O-] ZINC001594946486 982641824 /nfs/dbraw/zinc/64/18/24/982641824.db2.gz WYKRTGHJJWSUOM-NOZJJQNGSA-N -1 0 336.819 3.749 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)c1csc(-c2ccccc2C)n1)C(=O)[O-] ZINC001594949656 982650817 /nfs/dbraw/zinc/65/08/17/982650817.db2.gz GSONUTQWQNBAQM-BXUZGUMPSA-N -1 0 346.452 3.738 20 0 EHADRM O=C([O-])C[C@H](NC(=O)/C=C/c1ccc(Cl)s1)c1cccs1 ZINC000914731109 982657411 /nfs/dbraw/zinc/65/74/11/982657411.db2.gz QTZRWHCIVKOCBF-RWCYGVJQSA-N -1 0 341.841 3.808 20 0 EHADRM CC[C@@H](C)CCC(=O)N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001594956881 982690162 /nfs/dbraw/zinc/69/01/62/982690162.db2.gz HXWDWDVASVCADQ-YGRLFVJLSA-N -1 0 331.334 3.774 20 0 EHADRM CC[C@@H](C)CCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001594958537 982698519 /nfs/dbraw/zinc/69/85/19/982698519.db2.gz CHGSATRMQAXJQE-KDOFPFPSSA-N -1 0 344.455 3.886 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000923095035 982719637 /nfs/dbraw/zinc/71/96/37/982719637.db2.gz PHDSEUGDUAWEFF-UGSOOPFHSA-N -1 0 327.405 3.597 20 0 EHADRM Cc1c(NC(=O)[C@@]2(C)C=CCC2)cc(Br)cc1C(=O)[O-] ZINC000923098257 982722510 /nfs/dbraw/zinc/72/25/10/982722510.db2.gz TYZXVMARYHIFNZ-HNNXBMFYSA-N -1 0 338.201 3.751 20 0 EHADRM CC[C@@H](CC(=O)NCCc1ccccc1C(=O)[O-])c1ccc(C)cc1 ZINC000923120552 982739836 /nfs/dbraw/zinc/73/98/36/982739836.db2.gz TVYQHJFPNRLYBL-INIZCTEOSA-N -1 0 339.435 3.936 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)CCC(=O)c1ccc(CC(C)C)cc1 ZINC001594971481 982740123 /nfs/dbraw/zinc/74/01/23/982740123.db2.gz INIZQHSWOKQIJP-OAHLLOKOSA-N -1 0 347.455 3.560 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)N(C)Cc2ccccc2)cc1 ZINC000108065922 1014881297 /nfs/dbraw/zinc/88/12/97/1014881297.db2.gz PFNNGQHGNKGLFC-QHCPKHFHSA-N -1 0 329.465 3.576 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)Nc2cccc(Cl)c2Cl)C[C@H]1C1CC1 ZINC000925899651 982866645 /nfs/dbraw/zinc/86/66/45/982866645.db2.gz VNPWCJAUTALRSL-VHSXEESVSA-N -1 0 343.210 3.568 20 0 EHADRM CCCN(Cc1ccccc1F)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001595890756 982922476 /nfs/dbraw/zinc/92/24/76/982922476.db2.gz CKEKDYMKYCVBEW-NTMALXAHSA-N -1 0 331.343 3.569 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)CCOc1ccccc1 ZINC001116326182 982929103 /nfs/dbraw/zinc/92/91/03/982929103.db2.gz VVQVBLUKRWKKGA-ZDUSSCGKSA-N -1 0 327.380 3.737 20 0 EHADRM CN(C(=O)CCSc1ccc(Cl)cc1)C(C)(C)CC(=O)[O-] ZINC001118751514 982961351 /nfs/dbraw/zinc/96/13/51/982961351.db2.gz FTWHQCYGTONCSY-UHFFFAOYSA-N -1 0 329.849 3.534 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C[C@@H]1C=CCC1)c1ccc(C(F)(F)F)cc1 ZINC001120312408 983026844 /nfs/dbraw/zinc/02/68/44/983026844.db2.gz ZEKDMMANIMRLSI-RISCZKNCSA-N -1 0 341.329 3.694 20 0 EHADRM CCCOCCOC(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC001595945810 983104072 /nfs/dbraw/zinc/10/40/72/983104072.db2.gz AABQNXFCRADGDL-QGZVFWFLSA-N -1 0 345.395 3.508 20 0 EHADRM CCCOc1cc(C)ccc1NC(=O)c1[nH]c(CC)c(C(=O)[O-])c1C ZINC001595949868 983117797 /nfs/dbraw/zinc/11/77/97/983117797.db2.gz CBNDZYIXODPJHG-UHFFFAOYSA-N -1 0 344.411 3.933 20 0 EHADRM CCCOc1ccc(-c2nnc([C@@H]3CC[C@H](C(=O)[O-])C3)o2)cc1OC ZINC001595952455 983128352 /nfs/dbraw/zinc/12/83/52/983128352.db2.gz RTMPTUDZSHDWHB-YPMHNXCESA-N -1 0 346.383 3.502 20 0 EHADRM CCCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)c(OC)c1 ZINC001595954473 983137647 /nfs/dbraw/zinc/13/76/47/983137647.db2.gz HRDKMDPWSSCSML-UHFFFAOYSA-N -1 0 347.342 3.574 20 0 EHADRM CCCSCC(=O)O[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC001595987126 983235296 /nfs/dbraw/zinc/23/52/96/983235296.db2.gz QRBDZHHFRKJCHM-LBPRGKRZSA-N -1 0 336.331 3.518 20 0 EHADRM CCC[C@H](NC(=O)c1ccccc1NCCC1=CCCCC1)C(=O)[O-] ZINC001596019876 983282207 /nfs/dbraw/zinc/28/22/07/983282207.db2.gz XCFYPVUKHXGIOD-SFHVURJKSA-N -1 0 344.455 3.972 20 0 EHADRM CCCc1c(C(=O)N(C)Cc2cccc(Cl)c2)[nH]c(C)c1C(=O)[O-] ZINC001596029976 983297241 /nfs/dbraw/zinc/29/72/41/983297241.db2.gz SPKKDJJUOUTYMN-UHFFFAOYSA-N -1 0 348.830 3.899 20 0 EHADRM CCCc1c(C(=O)Nc2cc(F)c(OC)cc2C)[nH]c(C)c1C(=O)[O-] ZINC001596045112 983331003 /nfs/dbraw/zinc/33/10/03/983331003.db2.gz AJERYROTRVMDEB-UHFFFAOYSA-N -1 0 348.374 3.682 20 0 EHADRM CCCc1cc(C(=O)N[C@H](C(=O)[O-])c2cccs2)ccc1Cl ZINC001596053248 983354249 /nfs/dbraw/zinc/35/42/49/983354249.db2.gz NCCSBMZVVHCCHX-AWEZNQCLSA-N -1 0 337.828 3.910 20 0 EHADRM CCCc1cc(=O)oc2cc(OCc3occc3C(=O)[O-])ccc12 ZINC001596053766 983355883 /nfs/dbraw/zinc/35/58/83/983355883.db2.gz XOLSOYRVRGZRIW-UHFFFAOYSA-N -1 0 328.320 3.616 20 0 EHADRM CCCc1cc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCCC3)no1 ZINC001596056995 983362617 /nfs/dbraw/zinc/36/26/17/983362617.db2.gz RLCDHPFWYZDERK-UHFFFAOYSA-N -1 0 348.424 3.908 20 0 EHADRM CCCc1ccc(CCCC(=O)N[C@H](CC(C)(C)C)C(=O)[O-])cc1 ZINC001596062555 983371436 /nfs/dbraw/zinc/37/14/36/983371436.db2.gz FXIGQRSBALWCCO-QGZVFWFLSA-N -1 0 333.472 3.967 20 0 EHADRM CCCc1ccc(C(=O)Oc2ccc(/C=C\C(=O)[O-])cc2OC)cc1 ZINC001596063383 983374845 /nfs/dbraw/zinc/37/48/45/983374845.db2.gz UQMSLGCJUUSTGG-WQLSENKSSA-N -1 0 340.375 3.965 20 0 EHADRM CCCc1ncc(CN[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)o1 ZINC001596089077 983410635 /nfs/dbraw/zinc/41/06/35/983410635.db2.gz UNYZDGZJCKZUGE-AWEZNQCLSA-N -1 0 342.317 3.561 20 0 EHADRM CCCc1nc(C)c(NC(=O)c2[nH]c(CC)c(C(=O)[O-])c2C)s1 ZINC001596090179 983415582 /nfs/dbraw/zinc/41/55/82/983415582.db2.gz WXVIAFFZEBZWPI-UHFFFAOYSA-N -1 0 335.429 3.553 20 0 EHADRM CCCn1ccc2ccc(NC(=O)NC3(CC(=O)[O-])CCCC3)cc21 ZINC001596115999 983446330 /nfs/dbraw/zinc/44/63/30/983446330.db2.gz OPPVHEHHGSPGHR-UHFFFAOYSA-N -1 0 343.427 3.960 20 0 EHADRM CCN(C(=O)Nc1cc(C(=O)[O-])cs1)[C@@H](C)Cc1ccsc1 ZINC001596151077 983511315 /nfs/dbraw/zinc/51/13/15/983511315.db2.gz SWUPWCGXAFKPPA-JTQLQIEISA-N -1 0 338.454 3.993 20 0 EHADRM CCN(C(=O)Nc1cc(C(=O)[O-])sc1C)[C@@H]1CCOC(C)(C)C1 ZINC001596151088 983511838 /nfs/dbraw/zinc/51/18/38/983511838.db2.gz UABKJEAOMPMURV-LLVKDONJSA-N -1 0 340.445 3.566 20 0 EHADRM CCN(C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)C1CC(C)(C)C1 ZINC001596158143 983520503 /nfs/dbraw/zinc/52/05/03/983520503.db2.gz MEOPYPBAEQTILB-JKSUJKDBSA-N -1 0 330.428 3.917 20 0 EHADRM CCN(C(=O)Nc1ccc(F)c(C(=O)[O-])c1F)[C@@H](C)c1cccnc1 ZINC001596158993 983523059 /nfs/dbraw/zinc/52/30/59/983523059.db2.gz XAEBCABVQUZNEB-JTQLQIEISA-N -1 0 349.337 3.673 20 0 EHADRM CCN(C(=O)c1ccc(Oc2cccc(C)c2)cn1)C(C)(C)C(=O)[O-] ZINC001596169675 983533952 /nfs/dbraw/zinc/53/39/52/983533952.db2.gz LSQFYLIQTTXUAP-UHFFFAOYSA-N -1 0 342.395 3.508 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)[C@H]1CCC(C)(C)C[C@@H]1c1ccccc1 ZINC001596305613 983732808 /nfs/dbraw/zinc/73/28/08/983732808.db2.gz JOPDIHQDHYCLFK-DLBZAZTESA-N -1 0 331.456 3.920 20 0 EHADRM CCN(Cc1ccc(C(=O)[O-])c2cccnc12)[C@@H](C)C(F)(F)F ZINC001596357570 983828707 /nfs/dbraw/zinc/82/87/07/983828707.db2.gz IRXQYHQPRBKRQY-JTQLQIEISA-N -1 0 326.318 3.706 20 0 EHADRM CCN1C(=O)N[C@@H](c2cc(-c3ccccc3)cs2)C(C(=O)[O-])=C1C ZINC001596392207 983926156 /nfs/dbraw/zinc/92/61/56/983926156.db2.gz GKSRVQBQJWHVFL-INIZCTEOSA-N -1 0 342.420 3.860 20 0 EHADRM CCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1ccc(/C=C\C(=O)[O-])o1 ZINC001596395039 983932275 /nfs/dbraw/zinc/93/22/75/983932275.db2.gz RVGFCKQGXRAQAY-KQQSKNTNSA-N -1 0 346.770 3.617 20 0 EHADRM CCNC(=O)Nc1cccc(NCc2ccc(C(=O)[O-])cc2F)c1C ZINC001596473160 984198199 /nfs/dbraw/zinc/19/81/99/984198199.db2.gz GECCLMNTEDVMQJ-UHFFFAOYSA-N -1 0 345.374 3.586 20 0 EHADRM CCOC(=O)[C@]12CCC[C@@H]1C[C@H](Nc1cccc([C@H](C)C(=O)[O-])c1)C2 ZINC001596563548 984444528 /nfs/dbraw/zinc/44/45/28/984444528.db2.gz USRYIDQFSQCGLO-IDVHHABFSA-N -1 0 345.439 3.799 20 0 EHADRM C/C(=C\C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1)c1cccs1 ZINC001588939242 984627991 /nfs/dbraw/zinc/62/79/91/984627991.db2.gz MEIJENPYCGUGAH-CFRMROPGSA-N -1 0 333.384 3.623 20 0 EHADRM C/C(=C\C(=O)NCC1(CC(=O)[O-])CCCC1)c1cccc(Cl)c1 ZINC001588939631 984630161 /nfs/dbraw/zinc/63/01/61/984630161.db2.gz ZDBQYXLEPGMVLC-UKTHLTGXSA-N -1 0 335.831 3.895 20 0 EHADRM C[C@H](C(=O)[O-])N(C)C(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl ZINC001599885685 984633020 /nfs/dbraw/zinc/63/30/20/984633020.db2.gz MNRCSJRCNQYHTA-MRVPVSSYSA-N -1 0 341.194 3.534 20 0 EHADRM CCOC(=O)N(C)c1ccc(N[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC001596643015 984641310 /nfs/dbraw/zinc/64/13/10/984641310.db2.gz NCLDUMYFSMCFQG-AWEZNQCLSA-N -1 0 334.397 3.579 20 0 EHADRM C[C@H](NC(=O)N1CCc2c(cccc2C(=O)[O-])C1)C1CCCCCC1 ZINC001599893949 984729832 /nfs/dbraw/zinc/72/98/32/984729832.db2.gz FYWOFOYZMKHIPU-AWEZNQCLSA-N -1 0 344.455 3.811 20 0 EHADRM C[C@H](NC(=O)c1cccc(CC(=O)[O-])c1)c1ccc(F)cc1Cl ZINC001599900902 984822516 /nfs/dbraw/zinc/82/25/16/984822516.db2.gz WGJRDBKPHFPSMS-JTQLQIEISA-N -1 0 335.762 3.597 20 0 EHADRM CCOC(=O)c1c2ccccc2sc1NC(=O)C[C@@H](C)CC(=O)[O-] ZINC001596697032 984850309 /nfs/dbraw/zinc/85/03/09/984850309.db2.gz CTSGTMLMNGQSCM-SNVBAGLBSA-N -1 0 349.408 3.517 20 0 EHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)N(CC(=O)[O-])c1ccccc1 ZINC001588997726 984931788 /nfs/dbraw/zinc/93/17/88/984931788.db2.gz BAOWRWDVJHLWCN-ACCUITESSA-N -1 0 329.783 3.861 20 0 EHADRM CC(=Cc1ccc(C)cc1)C(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1 ZINC001588999426 984937618 /nfs/dbraw/zinc/93/76/18/984937618.db2.gz UWRGXJOZHJDXAG-BENRWUELSA-N -1 0 335.363 3.612 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)C[C@H]2CCC[C@@H](C(F)(F)F)C2)(C(=O)[O-])CC1 ZINC001599908233 984950250 /nfs/dbraw/zinc/95/02/50/984950250.db2.gz PVGAXWZAFUXGOO-JFILPPLUSA-N -1 0 349.393 3.895 20 0 EHADRM C/C(=C\c1ccccc1Cl)C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001589003520 984953223 /nfs/dbraw/zinc/95/32/23/984953223.db2.gz CLNLMBNCJPUUPD-CSKARUKUSA-N -1 0 335.812 3.819 20 0 EHADRM C/C(=C\c1ccccn1)C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001589006859 984972091 /nfs/dbraw/zinc/97/20/91/984972091.db2.gz XDKGPRLSSCJDTE-JLHYYAGUSA-N -1 0 340.379 3.609 20 0 EHADRM CC(=O)N(C)c1ccc(N[C@H](C(=O)[O-])c2ccccc2Cl)cc1 ZINC001589046389 985120365 /nfs/dbraw/zinc/12/03/65/985120365.db2.gz VIPYKLWPCGMTPQ-INIZCTEOSA-N -1 0 332.787 3.561 20 0 EHADRM CCO[C@@H](C)c1nc(CN[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)cs1 ZINC001596776824 985216820 /nfs/dbraw/zinc/21/68/20/985216820.db2.gz PEDIQEONPCFMFF-XJKSGUPXSA-N -1 0 348.468 3.773 20 0 EHADRM CCO[C@@H](CCNC(=O)Nc1ccc(C)c(C(=O)[O-])c1)C1CCCC1 ZINC001596784768 985252720 /nfs/dbraw/zinc/25/27/20/985252720.db2.gz XXXQOBAYNXLHSP-KRWDZBQOSA-N -1 0 348.443 3.800 20 0 EHADRM CCO[C@H](CNC(=O)Nc1cc(C(=O)[O-])ccc1C)c1ccccc1 ZINC001596791222 985274141 /nfs/dbraw/zinc/27/41/41/985274141.db2.gz PPFDZTPADHQUMU-QGZVFWFLSA-N -1 0 342.395 3.593 20 0 EHADRM C[C@H]1COC(C)(C)CN1C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001599932926 985347731 /nfs/dbraw/zinc/34/77/31/985347731.db2.gz ZIMXVAVLOHTNOR-LBPRGKRZSA-N -1 0 342.395 3.569 20 0 EHADRM Cc1[nH]c(C(=O)CN(C)[C@@H](C)c2cccc(Cl)c2)c(C)c1C(=O)[O-] ZINC001599945912 985526873 /nfs/dbraw/zinc/52/68/73/985526873.db2.gz ZOYCZKGZFWYRRO-LBPRGKRZSA-N -1 0 348.830 3.859 20 0 EHADRM CC(=O)Nc1ccc(C(=O)Oc2c(C(=O)[O-])ccc3ccccc32)cc1 ZINC001589187507 985578857 /nfs/dbraw/zinc/57/88/57/985578857.db2.gz ICNKTEFXCQTGRX-UHFFFAOYSA-N -1 0 349.342 3.716 20 0 EHADRM Cc1[nH]c(C(=O)NCc2ccc(-c3ccccc3)o2)c(C)c1C(=O)[O-] ZINC001599951787 985619603 /nfs/dbraw/zinc/61/96/03/985619603.db2.gz AOZNWTNOYPKEMD-UHFFFAOYSA-N -1 0 338.363 3.520 20 0 EHADRM CCO/C=C/C(=O)Nc1ccc(Oc2ccccc2)cc1C(=O)[O-] ZINC001596861655 985637167 /nfs/dbraw/zinc/63/71/67/985637167.db2.gz FIXGIIFANPXZOO-ZHACJKMWSA-N -1 0 327.336 3.666 20 0 EHADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1CCCCc2c(Cl)cccc21 ZINC001599958593 985733563 /nfs/dbraw/zinc/73/35/63/985733563.db2.gz GCUAUUUSPZYQDU-UHFFFAOYSA-N -1 0 346.814 3.700 20 0 EHADRM O=C([O-])CCN(C(=O)c1sc2cc(F)ccc2c1Cl)C1CC1 ZINC000314627900 1015156374 /nfs/dbraw/zinc/15/63/74/1015156374.db2.gz XQKGJPQQYWRTAI-UHFFFAOYSA-N -1 0 341.791 3.773 20 0 EHADRM CC(=O)OCCCc1cccc(NCc2cc(C(=O)[O-])cs2)c1 ZINC001589230306 985772896 /nfs/dbraw/zinc/77/28/96/985772896.db2.gz PGKJYUNNVYSZRO-UHFFFAOYSA-N -1 0 333.409 3.554 20 0 EHADRM CC(=O)c1c(C)cc(OC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1C ZINC001589254805 985884943 /nfs/dbraw/zinc/88/49/43/985884943.db2.gz NCTDLHATWVSMEL-UHFFFAOYSA-N -1 0 330.311 3.563 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)OCc2c(Cl)cccc2C(=O)[O-])c1C ZINC001589254974 985888053 /nfs/dbraw/zinc/88/80/53/985888053.db2.gz QEWWXTRBRVMBED-UHFFFAOYSA-N -1 0 349.770 3.543 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])[nH]c1NC(=O)/C=C/[C@]1(C)CC[C@H](C)C1(C)C ZINC001589261297 985920854 /nfs/dbraw/zinc/92/08/54/985920854.db2.gz FZCMPYNBWONILK-AHWRKKCMSA-N -1 0 346.427 3.873 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])[nH]c1NC(=O)C(C)=Cc1ccc(Cl)cc1 ZINC001589261829 985924410 /nfs/dbraw/zinc/92/44/10/985924410.db2.gz MSJDTBCKHHBIJH-VQHVLOKHSA-N -1 0 346.770 3.611 20 0 EHADRM Cc1c(-c2cc(CSCc3csc(C(=O)[O-])c3)on2)cnn1C ZINC001599969521 985979826 /nfs/dbraw/zinc/97/98/26/985979826.db2.gz ILAJSRJKBHKAAN-UHFFFAOYSA-N -1 0 349.437 3.577 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)[O-])s1 ZINC001589277652 985996306 /nfs/dbraw/zinc/99/63/06/985996306.db2.gz VHJHWDMCTNPVSP-UHFFFAOYSA-N -1 0 337.784 3.863 20 0 EHADRM CC(=O)c1cccc(C(F)(F)F)c1OCc1cccc(C(=O)[O-])n1 ZINC001589309550 986080703 /nfs/dbraw/zinc/08/07/03/986080703.db2.gz QAYQTWWOPKUCRI-UHFFFAOYSA-N -1 0 339.269 3.580 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N(CCC(F)(F)F)CC(=O)[O-] ZINC001599975872 986089501 /nfs/dbraw/zinc/08/95/01/986089501.db2.gz WCZSKDQDGUPOBX-UHFFFAOYSA-N -1 0 343.301 3.529 20 0 EHADRM CCC[C@H](CC)S(=O)(=O)Nc1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000579844943 1015189673 /nfs/dbraw/zinc/18/96/73/1015189673.db2.gz RZKBFTSZJAZBRU-WFASDCNBSA-N -1 0 327.446 3.585 20 0 EHADRM CC(=O)c1csc(C(=O)O[C@H]2CCCc3cc(C(=O)[O-])ccc32)c1 ZINC001589322860 986139118 /nfs/dbraw/zinc/13/91/18/986139118.db2.gz QZURBQUVPRVTMQ-HNNXBMFYSA-N -1 0 344.388 3.883 20 0 EHADRM Cc1c(C(=O)Nc2ccc(CC(=O)[O-])cc2)ccn1Cc1ccccc1 ZINC001599983552 986198612 /nfs/dbraw/zinc/19/86/12/986198612.db2.gz GRMBOWLWZLYPHG-UHFFFAOYSA-N -1 0 348.402 3.724 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1 ZINC001599985134 986218606 /nfs/dbraw/zinc/21/86/06/986218606.db2.gz IBPPPFKVSYHEAZ-UHFFFAOYSA-N -1 0 349.346 3.876 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)[C@@H]3CC34CC4)ccc2n1C1CC1 ZINC001599986120 986229055 /nfs/dbraw/zinc/22/90/55/986229055.db2.gz QWHIZPHZZXXDRJ-AWEZNQCLSA-N -1 0 325.364 3.688 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)C[C@@H](C)c1ccccc1 ZINC001597015872 986373077 /nfs/dbraw/zinc/37/30/77/986373077.db2.gz KCDHLODEAMESFB-CYBMUJFWSA-N -1 0 327.380 3.916 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1cc(CC(C)C)c[nH]1 ZINC001597022055 986417995 /nfs/dbraw/zinc/41/79/95/986417995.db2.gz JUZGTXWROOEEIL-UHFFFAOYSA-N -1 0 330.384 3.562 20 0 EHADRM C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccccc1F)c1cc2ccccc2o1 ZINC001589378258 986440785 /nfs/dbraw/zinc/44/07/85/986440785.db2.gz GCZAZQDJTJDWKV-PIGZYNQJSA-N -1 0 341.338 3.618 20 0 EHADRM CCOc1cc(C)ccc1CNC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001597033606 986463788 /nfs/dbraw/zinc/46/37/88/986463788.db2.gz YUDXXHKMHPOAOK-UHFFFAOYSA-N -1 0 342.395 3.722 20 0 EHADRM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001589385660 986478468 /nfs/dbraw/zinc/47/84/68/986478468.db2.gz LBAZIFKSMNQRJJ-BZNIZROVSA-N -1 0 349.789 3.915 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001597038282 986483986 /nfs/dbraw/zinc/48/39/86/986483986.db2.gz JLGBVLXIUPKZOK-UHFFFAOYSA-N -1 0 345.782 3.640 20 0 EHADRM C[C@@H](C(=O)NC1(CCC(=O)[O-])CCCCC1)c1ccc(F)c(F)c1 ZINC001589390690 986506099 /nfs/dbraw/zinc/50/60/99/986506099.db2.gz GEWXJIZASDVOAY-GFCCVEGCSA-N -1 0 339.382 3.752 20 0 EHADRM CCOc1ccc(C(=O)COc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001597055537 986530982 /nfs/dbraw/zinc/53/09/82/986530982.db2.gz GHFJGYORQDUNES-UHFFFAOYSA-N -1 0 334.755 3.699 20 0 EHADRM CCOc1ccc(C(=O)N2CCCCc3cc(C(=O)[O-])ccc32)cc1 ZINC001597059838 986544771 /nfs/dbraw/zinc/54/47/71/986544771.db2.gz MGUDUEJECXDALQ-UHFFFAOYSA-N -1 0 339.391 3.767 20 0 EHADRM CCOc1ccc(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)cc1 ZINC001597062493 986557534 /nfs/dbraw/zinc/55/75/34/986557534.db2.gz ZSHCJYAZNUGRCN-UHFFFAOYSA-N -1 0 337.734 3.828 20 0 EHADRM C[C@@H]1CSCC[N@H+](Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC001594613572 986620803 /nfs/dbraw/zinc/62/08/03/986620803.db2.gz OHDSZAIBBVOBFV-LBPRGKRZSA-N -1 0 348.493 3.693 20 0 EHADRM CCOc1ccc(C=Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc1 ZINC001597081260 986623527 /nfs/dbraw/zinc/62/35/27/986623527.db2.gz FTCQQHYDRGZJIS-YHYXMXQVSA-N -1 0 336.347 3.603 20 0 EHADRM C[C@H]1Cc2cc(C(=O)Nc3cc(C(=O)[O-])cc4cccnc43)ccc2O1 ZINC001594614691 986627623 /nfs/dbraw/zinc/62/76/23/986627623.db2.gz DSRJGGCEEWCIFI-NSHDSACASA-N -1 0 348.358 3.509 20 0 EHADRM C[C@@H]1Cc2cc(C(=O)Oc3ccc(C(=O)[O-])cc3Cl)ccc2O1 ZINC001594614962 986629745 /nfs/dbraw/zinc/62/97/45/986629745.db2.gz KAEZLHXLTYNZPA-SECBINFHSA-N -1 0 332.739 3.581 20 0 EHADRM CCOc1ccc(C[C@@H](C)C(=O)Nc2cc(C)c(C(=O)[O-])s2)cc1 ZINC001597085167 986648464 /nfs/dbraw/zinc/64/84/64/986648464.db2.gz PRONDPZNJLBYFR-GFCCVEGCSA-N -1 0 347.436 3.971 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)Nc2ccc3c(c2)C[C@H](C)O3)c1 ZINC001594619308 986649570 /nfs/dbraw/zinc/64/95/70/986649570.db2.gz ZDKINVSEIRNJGC-RYUDHWBXSA-N -1 0 340.379 3.842 20 0 EHADRM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1)c1cccnc1 ZINC001589422893 986671291 /nfs/dbraw/zinc/67/12/91/986671291.db2.gz DHGBIIFJDQTXHA-KUHUBIRLSA-N -1 0 348.402 3.671 20 0 EHADRM C[C@@H](C(=O)Nc1cc(-c2ccccc2)sc1C(=O)[O-])[C@@H]1CCCO1 ZINC001589428195 986698411 /nfs/dbraw/zinc/69/84/11/986698411.db2.gz CLVIZWYFSCUXIE-RISCZKNCSA-N -1 0 345.420 3.867 20 0 EHADRM C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1C(=O)[O-] ZINC001594643521 986822193 /nfs/dbraw/zinc/82/21/93/986822193.db2.gz HCMJFBRCALCCOD-WFASDCNBSA-N -1 0 341.363 3.541 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(F)c2occc21)c1ccccc1 ZINC001589461932 986914252 /nfs/dbraw/zinc/91/42/52/986914252.db2.gz IPMYYJKXWWJWPD-MEDUHNTESA-N -1 0 341.338 3.764 20 0 EHADRM CCOc1cccc(/C=C\C(=O)Oc2cc(C(=O)[O-])cc(F)c2C)c1 ZINC001597150224 986925396 /nfs/dbraw/zinc/92/53/96/986925396.db2.gz RLFMGDFUSNIXGG-FPLPWBNLSA-N -1 0 344.338 3.850 20 0 EHADRM C[C@@H]1SCCN(Cc2ncc(C(=O)[O-])s2)[C@H]1c1ccccc1 ZINC001594664325 986948748 /nfs/dbraw/zinc/94/87/48/986948748.db2.gz LNQVPKXPLJLHJA-XHDPSFHLSA-N -1 0 334.466 3.520 20 0 EHADRM CCOc1cccc(Cl)c1CN[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001597156001 986956578 /nfs/dbraw/zinc/95/65/78/986956578.db2.gz ZLSDXZQHHFHQLZ-SECBINFHSA-N -1 0 340.832 3.744 20 0 EHADRM C[C@H]1c2ccc(F)cc2CCN1C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001594666962 986969904 /nfs/dbraw/zinc/96/99/04/986969904.db2.gz DHDXRVYQVMFDFK-JTQLQIEISA-N -1 0 347.773 3.937 20 0 EHADRM C[C@H](c1ccc(C(=O)N([C@@H](C)C(=O)[O-])C2CCC2)cc1)C(F)(F)F ZINC001589476578 986975515 /nfs/dbraw/zinc/97/55/15/986975515.db2.gz CJJSEPDLUBVKSJ-MNOVXSKESA-N -1 0 343.345 3.820 20 0 EHADRM Cc1noc([C@H](C)N(C)Cc2c(C(=O)[O-])sc3cccc(F)c32)n1 ZINC000579853561 1015269741 /nfs/dbraw/zinc/26/97/41/1015269741.db2.gz UNIZMZBULKYXPA-QMMMGPOBSA-N -1 0 349.387 3.623 20 0 EHADRM C/C=C\C[C@H]1CCCN(c2ncc(C(=O)[O-])cc2C(F)(F)F)C1 ZINC001594686408 987065617 /nfs/dbraw/zinc/06/56/17/987065617.db2.gz VJDRSLHBLCNKGC-QUCGXOGASA-N -1 0 328.334 3.981 20 0 EHADRM CC/C(=C/C(=O)NC(C)(C)c1cc(C(=O)[O-])on1)c1ccc(C)cc1 ZINC001594690609 987080750 /nfs/dbraw/zinc/08/07/50/987080750.db2.gz DWMLGRYGNVJFKB-RAXLEYEMSA-N -1 0 342.395 3.526 20 0 EHADRM CC/C(=C/C(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-])c1ccc(OC)cc1 ZINC001594690819 987084158 /nfs/dbraw/zinc/08/41/58/987084158.db2.gz JKHKMFMDPLQYMI-AFHXIQBNSA-N -1 0 345.439 3.638 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2CC(C)(c3ccccc3)C2)cc1 ZINC001589507782 987124987 /nfs/dbraw/zinc/12/49/87/987124987.db2.gz CRTFOCXZWFEMIS-AWEZNQCLSA-N -1 0 338.407 3.680 20 0 EHADRM CCC(=O)c1ccc(OC(=O)c2ccc(C)c(C(=O)[O-])c2)c(F)c1 ZINC001594720935 987202087 /nfs/dbraw/zinc/20/20/87/987202087.db2.gz GFFCHOBVRHVKDI-UHFFFAOYSA-N -1 0 330.311 3.644 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cc(C(F)(F)F)ccn2)c1 ZINC001589532177 987211304 /nfs/dbraw/zinc/21/13/04/987211304.db2.gz NOZSBOQVKGQYNO-SECBINFHSA-N -1 0 338.285 3.541 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cc3ccncc3s2)c1 ZINC001589532559 987215855 /nfs/dbraw/zinc/21/58/55/987215855.db2.gz SAGWHKBBVHFSMZ-JTQLQIEISA-N -1 0 326.377 3.737 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2csc(C(F)(F)F)n2)c1 ZINC001589532679 987217336 /nfs/dbraw/zinc/21/73/36/987217336.db2.gz UCLICWFPSDOSEV-SSDOTTSWSA-N -1 0 344.314 3.602 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2nsc3ccccc32)c1 ZINC001589532673 987217408 /nfs/dbraw/zinc/21/74/08/987217408.db2.gz SXFNHGGGTPVCBA-JTQLQIEISA-N -1 0 326.377 3.737 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cccc3cccc(O)c32)c1 ZINC001589533094 987222882 /nfs/dbraw/zinc/22/28/82/987222882.db2.gz WLZHCHMIGLGLAS-GFCCVEGCSA-N -1 0 335.359 3.986 20 0 EHADRM CC[C@H](C(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1)c1ccc(F)cc1 ZINC001594728288 987234228 /nfs/dbraw/zinc/23/42/28/987234228.db2.gz CXJHZIIULQFREZ-RDJZCZTQSA-N -1 0 347.361 3.709 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NCc2cn(C)nc2-c2cccs2)c1 ZINC001589540123 987239858 /nfs/dbraw/zinc/23/98/58/987239858.db2.gz QCQVHNBHEXGHIW-GFCCVEGCSA-N -1 0 341.436 3.949 20 0 EHADRM CCS[C@H](C)c1noc(CNc2cc(C(=O)[O-])c(C)cc2C)n1 ZINC001597252987 987252221 /nfs/dbraw/zinc/25/22/21/987252221.db2.gz YCVJSSZLMBIHDZ-LLVKDONJSA-N -1 0 335.429 3.811 20 0 EHADRM C[C@H](C(=O)OC1CCC(C(=O)[O-])CC1)c1ccccc1C(F)(F)F ZINC001589543055 987256845 /nfs/dbraw/zinc/25/68/45/987256845.db2.gz JNXZJTDKVQUEKX-UNXYVOJBSA-N -1 0 344.329 3.996 20 0 EHADRM C[C@@H](C(=O)OC1CCC(C(=O)[O-])CC1)c1ccccc1C(F)(F)F ZINC001589543056 987256899 /nfs/dbraw/zinc/25/68/99/987256899.db2.gz JNXZJTDKVQUEKX-VOMCLLRMSA-N -1 0 344.329 3.996 20 0 EHADRM CC[C@@H](C(=O)Nc1c(F)cccc1C(=O)[O-])c1ccc(OC)cc1 ZINC001594735641 987270114 /nfs/dbraw/zinc/27/01/14/987270114.db2.gz OMMDSFJYYRLHFF-CYBMUJFWSA-N -1 0 331.343 3.665 20 0 EHADRM CC[C@@H](C(=O)Nc1cc(C(=O)[O-])cnc1Cl)c1ccc(OC)cc1 ZINC001594735945 987273201 /nfs/dbraw/zinc/27/32/01/987273201.db2.gz RWSJBSZSNKVPSU-CYBMUJFWSA-N -1 0 348.786 3.574 20 0 EHADRM CCSc1cc(CNC(=O)Nc2ccc(C(=O)[O-])cc2C)ccn1 ZINC001597267858 987306103 /nfs/dbraw/zinc/30/61/03/987306103.db2.gz ONKZJCGACBUCEG-UHFFFAOYSA-N -1 0 345.424 3.522 20 0 EHADRM CCSc1cccc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC001597273350 987327928 /nfs/dbraw/zinc/32/79/28/987327928.db2.gz RMJRXKYCKVFHAS-SUMWQHHRSA-N -1 0 343.448 3.990 20 0 EHADRM CCSc1cccc(F)c1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001597277630 987337314 /nfs/dbraw/zinc/33/73/14/987337314.db2.gz XESLBRMAFSCDRY-GHMZBOCLSA-N -1 0 325.405 3.767 20 0 EHADRM CC(C)(C(=O)NCc1ccc(C(=O)[O-])cc1F)c1cccc(Cl)c1 ZINC001589571921 987343105 /nfs/dbraw/zinc/34/31/05/987343105.db2.gz HTJNSDRASQOALD-UHFFFAOYSA-N -1 0 349.789 3.771 20 0 EHADRM CCSc1cccnc1C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC001597280235 987351591 /nfs/dbraw/zinc/35/15/91/987351591.db2.gz VTMBOFSPHJMMSB-NSHDSACASA-N -1 0 330.409 3.634 20 0 EHADRM CC(C)(C(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1)C1CC1 ZINC001589582520 987362826 /nfs/dbraw/zinc/36/28/26/987362826.db2.gz AMQWGMIVLFGAFS-UHFFFAOYSA-N -1 0 344.436 3.807 20 0 EHADRM CC[C@@H](NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccc(F)cc1 ZINC001597285843 987363321 /nfs/dbraw/zinc/36/33/21/987363321.db2.gz CLOBYRPJNQLTEN-QGZVFWFLSA-N -1 0 342.370 3.700 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc(F)c(Cl)c2F)C1 ZINC001589612217 987472076 /nfs/dbraw/zinc/47/20/76/987472076.db2.gz TUXZYUWVRZJPPW-SECBINFHSA-N -1 0 345.773 3.581 20 0 EHADRM CC(C)(C(=O)[O-])N(Cc1ccccc1)C(=O)c1cc(F)ccc1Cl ZINC001589616482 987480877 /nfs/dbraw/zinc/48/08/77/987480877.db2.gz FAIDMFRBGUBKKA-UHFFFAOYSA-N -1 0 349.789 3.985 20 0 EHADRM CC(C)(C(=O)[O-])N(Cc1ccccc1)C(=O)C[C@H]1CCC(F)(F)C1 ZINC001589617267 987491472 /nfs/dbraw/zinc/49/14/72/987491472.db2.gz YMCIFGHVEDAOLR-CQSZACIVSA-N -1 0 339.382 3.704 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C[C@@]2(C)CC2(Cl)Cl)cc1 ZINC001589633820 987546785 /nfs/dbraw/zinc/54/67/85/987546785.db2.gz FBJXEQWQYLAVQO-HNNXBMFYSA-N -1 0 344.238 3.961 20 0 EHADRM CCc1[nH]c(C(=O)Nc2ccc(SC)cc2OC)c(C)c1C(=O)[O-] ZINC001597372854 987556369 /nfs/dbraw/zinc/55/63/69/987556369.db2.gz HXFIUQHLGMYALO-UHFFFAOYSA-N -1 0 348.424 3.567 20 0 EHADRM CC(C)(C)n1nccc1NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001589638557 987560803 /nfs/dbraw/zinc/56/08/03/987560803.db2.gz KVGVKRLCCBSCGV-UHFFFAOYSA-N -1 0 344.415 3.644 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)c2cnc(CC3CC3)s2)c1 ZINC001589649805 987593924 /nfs/dbraw/zinc/59/39/24/987593924.db2.gz AEMKYYNKLSHUTB-UHFFFAOYSA-N -1 0 345.420 3.677 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)N(C)Cc2ccccc2OC)s1 ZINC001597442557 987806474 /nfs/dbraw/zinc/80/64/74/987806474.db2.gz DNBCKBZNRLJUKL-UHFFFAOYSA-N -1 0 348.424 3.681 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)c1ccc(-c2ccccc2F)o1 ZINC001589704363 987811070 /nfs/dbraw/zinc/81/10/70/987811070.db2.gz KFUVZCVOOUMYOE-HNNXBMFYSA-N -1 0 333.359 3.705 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)c1cc2ccccc2nc1Cl ZINC001589705420 987820134 /nfs/dbraw/zinc/82/01/34/987820134.db2.gz YGXIMIKLJPLZCP-ZDUSSCGKSA-N -1 0 334.803 3.507 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)Cc1ccc(OC)cc1 ZINC001597449429 987832462 /nfs/dbraw/zinc/83/24/62/987832462.db2.gz CVNRKDACUYSLCJ-CYBMUJFWSA-N -1 0 341.407 3.773 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](CC)Oc1ccccc1F ZINC001597450294 987839522 /nfs/dbraw/zinc/83/95/22/987839522.db2.gz VBOAICXDOPBPMU-MRXNPFEDSA-N -1 0 345.370 3.882 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N(C)CCc1ccccc1C ZINC001597452726 987851648 /nfs/dbraw/zinc/85/16/48/987851648.db2.gz IVHZIGBKRQEROQ-UHFFFAOYSA-N -1 0 340.423 3.962 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H](CC)c1nc(C)cs1 ZINC001597456835 987866423 /nfs/dbraw/zinc/86/64/23/987866423.db2.gz MGJWKHCGJBEGNQ-ZDUSSCGKSA-N -1 0 347.440 3.985 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NC1CCC(OC(C)C)CC1 ZINC001597458871 987883372 /nfs/dbraw/zinc/88/33/72/987883372.db2.gz WFWJSMNUOSNDBC-UHFFFAOYSA-N -1 0 348.443 3.805 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)Nc1cnn(C(C)(C)C)c1 ZINC001597464993 987901157 /nfs/dbraw/zinc/90/11/57/987901157.db2.gz OBBLASUEZMSUAQ-UHFFFAOYSA-N -1 0 330.388 3.543 20 0 EHADRM CC(C)(C)C1CC(C(=O)NC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)C1 ZINC001589726524 987909296 /nfs/dbraw/zinc/90/92/96/987909296.db2.gz INBMRGWDYFFQHN-GTPINHCMSA-N -1 0 343.467 3.993 20 0 EHADRM CS[C@@H]1CC[C@H](N(C)C(=O)Nc2cc(C(=O)[O-])sc2C)C1 ZINC001599788223 987961213 /nfs/dbraw/zinc/96/12/13/987961213.db2.gz QAZOPDYYMSLKFS-VHSXEESVSA-N -1 0 328.459 3.503 20 0 EHADRM CS[C@@H]1CCCCN(C(=O)Nc2c(C)sc(C)c2C(=O)[O-])C1 ZINC001599789043 987975324 /nfs/dbraw/zinc/97/53/24/987975324.db2.gz NVCZCSSUZOAKPA-LLVKDONJSA-N -1 0 342.486 3.813 20 0 EHADRM CCc1cc(NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])n[nH]1 ZINC001597483229 987985493 /nfs/dbraw/zinc/98/54/93/987985493.db2.gz JJWUPZKPYBXBEB-UHFFFAOYSA-N -1 0 335.363 3.590 20 0 EHADRM CC(C)(C)/C=C\C(=O)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001589738818 988006509 /nfs/dbraw/zinc/00/65/09/988006509.db2.gz WTDAAEINDJQHKZ-MEJMFZKBSA-N -1 0 329.318 3.550 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1)C(=O)[O-] ZINC001589743415 988026758 /nfs/dbraw/zinc/02/67/58/988026758.db2.gz NGAPCGJSRTXKBV-IKGGRYGDSA-N -1 0 331.456 3.651 20 0 EHADRM CCc1ccc(-c2nc(COC(=O)C(C)(C)CC(=O)[O-])cs2)cc1 ZINC001597492471 988030025 /nfs/dbraw/zinc/03/00/25/988030025.db2.gz QSDTWKMHSDCGJN-UHFFFAOYSA-N -1 0 347.436 3.917 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N[C@@H](CC(=O)[O-])c2cccc(C)c2)cc1 ZINC001597511544 988092296 /nfs/dbraw/zinc/09/22/96/988092296.db2.gz CALLMIAFIDPURI-KXBFYZLASA-N -1 0 339.435 3.993 20 0 EHADRM CC(C)(C)C[C@H](Sc1n[nH]c(CCC2CCCC2)n1)C(=O)[O-] ZINC001589762116 988097249 /nfs/dbraw/zinc/09/72/49/988097249.db2.gz YAINDZPVVMUFIK-LBPRGKRZSA-N -1 0 325.478 3.909 20 0 EHADRM CC(C)(C)CCCCNC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001589771945 988127557 /nfs/dbraw/zinc/12/75/57/988127557.db2.gz PSGBPGWHYJZJBK-UHFFFAOYSA-N -1 0 330.428 3.672 20 0 EHADRM CC(C)(C)N(Cc1ccsc1)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001589796604 988197043 /nfs/dbraw/zinc/19/70/43/988197043.db2.gz UXSFNEKTLAAPMU-UHFFFAOYSA-N -1 0 331.437 3.816 20 0 EHADRM CSCc1ccc(-c2noc([C@H]3CC[C@H](C(=O)[O-])CC3)n2)cc1 ZINC001599802489 988200177 /nfs/dbraw/zinc/20/01/77/988200177.db2.gz NGCQAQXVSVDHFS-HDJSIYSDSA-N -1 0 332.425 3.958 20 0 EHADRM CS[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001599803551 988217135 /nfs/dbraw/zinc/21/71/35/988217135.db2.gz KPJCIABQAUKDBV-UKRRQHHQSA-N -1 0 347.440 3.662 20 0 EHADRM CCc1ccc(NC(=O)[C@H]2CCc3cc(C)ccc3O2)c(C(=O)[O-])c1 ZINC001597542458 988230931 /nfs/dbraw/zinc/23/09/31/988230931.db2.gz CLRCTXWOHHHBEA-GOSISDBHSA-N -1 0 339.391 3.588 20 0 EHADRM CCc1ccc(NC(=O)CC[C@@H]2CC2(Cl)Cl)c(C(=O)[O-])c1 ZINC001597542732 988232815 /nfs/dbraw/zinc/23/28/15/988232815.db2.gz JBXIYNZWDWNIOK-SNVBAGLBSA-N -1 0 330.211 3.860 20 0 EHADRM CCc1ccc(NC(=O)N2CCC[C@H]2c2ccncc2)c(C(=O)[O-])c1 ZINC001597548125 988263840 /nfs/dbraw/zinc/26/38/40/988263840.db2.gz SNJZXVTZORYOLD-KRWDZBQOSA-N -1 0 339.395 3.711 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001599807326 988276751 /nfs/dbraw/zinc/27/67/51/988276751.db2.gz MMLNPWRUFZFDAP-OAHLLOKOSA-N -1 0 342.848 3.781 20 0 EHADRM CSc1c(F)cccc1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001599807846 988284875 /nfs/dbraw/zinc/28/48/75/988284875.db2.gz PRNGWGIEGJNZLY-UHFFFAOYSA-N -1 0 334.372 3.568 20 0 EHADRM CC(C)(C)Nc1ccccc1NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001589839561 988325239 /nfs/dbraw/zinc/32/52/39/988325239.db2.gz GCNWBUTVHUXSHP-UHFFFAOYSA-N -1 0 342.395 3.613 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H]2CC3CCC2CC3)cc1 ZINC001599810474 988325970 /nfs/dbraw/zinc/32/59/70/988325970.db2.gz YSBVDUMNJFZWAX-CXMPNGEBSA-N -1 0 347.480 3.867 20 0 EHADRM CCc1ccc2occ(C(=O)N[C@]3(C)CCCC[C@@H]3C(=O)[O-])c2c1 ZINC001597570480 988344596 /nfs/dbraw/zinc/34/45/96/988344596.db2.gz LICHJERUDMWPER-DNVCBOLYSA-N -1 0 329.396 3.759 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)COc1c(C)cccc1C ZINC001597572905 988355700 /nfs/dbraw/zinc/35/57/00/988355700.db2.gz OMCKDANLCGAEMZ-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM CSc1ccc(CCCC(=O)N(C2CC2)C2(C(=O)[O-])CCC2)cc1 ZINC001599812451 988360474 /nfs/dbraw/zinc/36/04/74/988360474.db2.gz FGJSWRATMJXPAX-UHFFFAOYSA-N -1 0 347.480 3.730 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC001597576211 988364202 /nfs/dbraw/zinc/36/42/02/988364202.db2.gz IUKQQOZENCHBDM-LBPRGKRZSA-N -1 0 329.371 3.904 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC001599814043 988389634 /nfs/dbraw/zinc/38/96/34/988389634.db2.gz DTUBQILALUYBMR-UHFFFAOYSA-N -1 0 335.812 3.941 20 0 EHADRM CSc1ccc(NC(=O)COc2cc(C)ccc2C)cc1C(=O)[O-] ZINC001599815662 988419094 /nfs/dbraw/zinc/41/90/94/988419094.db2.gz QQKSCQQHTKRUOL-UHFFFAOYSA-N -1 0 345.420 3.741 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1ccc(C(F)(F)F)cn1 ZINC001597595086 988436956 /nfs/dbraw/zinc/43/69/56/988436956.db2.gz ZQYARCLGVZJUIL-UHFFFAOYSA-N -1 0 338.285 3.613 20 0 EHADRM CCc1cccc(NC(=S)Nc2cc(COC)cc(C(=O)[O-])c2)c1 ZINC001597595686 988444482 /nfs/dbraw/zinc/44/44/82/988444482.db2.gz YADDWVRUXFRMTM-UHFFFAOYSA-N -1 0 344.436 3.903 20 0 EHADRM CSc1ccc(NC(=O)c2ccoc2CC(=O)[O-])cc1Cl ZINC001599817644 988454476 /nfs/dbraw/zinc/45/44/76/988454476.db2.gz OKWWOAFKGWEFCT-UHFFFAOYSA-N -1 0 325.773 3.534 20 0 EHADRM CSc1ccc(NC(=O)NCC2(C(F)(F)F)CC2)cc1C(=O)[O-] ZINC001599818238 988465088 /nfs/dbraw/zinc/46/50/88/988465088.db2.gz CPLVYGOTROVOLN-UHFFFAOYSA-N -1 0 348.346 3.571 20 0 EHADRM CSc1ccc(NC(=O)c2c(C)coc2CC(=O)[O-])cc1Cl ZINC001599818873 988476692 /nfs/dbraw/zinc/47/66/92/988476692.db2.gz DSIXHRICYPNZKS-UHFFFAOYSA-N -1 0 339.800 3.843 20 0 EHADRM O=C(c1cccc(Br)c1[O-])N1CCC[C@@H](C2CCC2)C1 ZINC000620207164 1125503178 /nfs/dbraw/zinc/50/31/78/1125503178.db2.gz YWRLKIDTXMBPAT-GFCCVEGCSA-N -1 0 338.245 3.807 20 0 EHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC001597621322 988546487 /nfs/dbraw/zinc/54/64/87/988546487.db2.gz JTJJBTFNMJLECO-OTWHNJEPSA-N -1 0 343.467 3.750 20 0 EHADRM CSc1ccccc1C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-] ZINC001599823250 988551744 /nfs/dbraw/zinc/55/17/44/988551744.db2.gz IRCMLIWAGBPGAW-ZDUSSCGKSA-N -1 0 329.421 3.524 20 0 EHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1c2cccc(C)c2C[C@H]1C(=O)[O-] ZINC001597622254 988558240 /nfs/dbraw/zinc/55/82/40/988558240.db2.gz XKXKOEVPWNFEQM-NSHGMRRFSA-N -1 0 349.430 3.703 20 0 EHADRM CSc1cccc(NC(=O)[C@@H](C)Sc2ncccc2C(=O)[O-])c1 ZINC001599824715 988577934 /nfs/dbraw/zinc/57/79/34/988577934.db2.gz LXBLZYIUKOOGPG-SNVBAGLBSA-N -1 0 348.449 3.621 20 0 EHADRM CSc1cccc(NC(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)c1 ZINC001599824759 988579422 /nfs/dbraw/zinc/57/94/22/988579422.db2.gz OJICDQIETYUMKD-UHFFFAOYSA-N -1 0 334.397 3.672 20 0 EHADRM CCc1cnccc1[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001597636516 988616382 /nfs/dbraw/zinc/61/63/82/988616382.db2.gz AKFSZPMAFGFUQV-LBPRGKRZSA-N -1 0 327.384 3.533 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC001599832678 988697609 /nfs/dbraw/zinc/69/76/09/988697609.db2.gz LSCGAOBDSVOBRU-JTQLQIEISA-N -1 0 349.774 3.512 20 0 EHADRM CCc1nc([C@H]2CCCCN2Cc2ccc(C(=O)[O-])c(Cl)c2)no1 ZINC001597663782 988744323 /nfs/dbraw/zinc/74/43/23/988744323.db2.gz TXSRZEHMTYKRIW-CQSZACIVSA-N -1 0 349.818 3.711 20 0 EHADRM CCc1nc(NC(=O)[C@H](CC)Cc2ccccc2C)sc1C(=O)[O-] ZINC001597675604 988785553 /nfs/dbraw/zinc/78/55/53/988785553.db2.gz GEODHRSMSILFHF-GFCCVEGCSA-N -1 0 346.452 3.920 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])s1)c1ccc2c(c1)CCC2 ZINC001599839567 988801878 /nfs/dbraw/zinc/80/18/78/988801878.db2.gz TWFJODDMVHNKDN-SNVBAGLBSA-N -1 0 330.409 3.818 20 0 EHADRM CCc1nc2ccc(Cl)cn2c1C(=O)Nc1ccc(C(=O)[O-])s1 ZINC001597690685 988873533 /nfs/dbraw/zinc/87/35/33/988873533.db2.gz GGGLFWXPSICMAM-UHFFFAOYSA-N -1 0 349.799 3.562 20 0 EHADRM CCc1nccc(C)c1NC(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001597703865 988944850 /nfs/dbraw/zinc/94/48/50/988944850.db2.gz ZSYIQXHERHMMQL-INIZCTEOSA-N -1 0 341.411 3.598 20 0 EHADRM C[C@@H]1CCN(Cc2ccc(C3(C(=O)[O-])CC3)cc2)[C@H](C(F)(F)F)C1 ZINC001599849254 988985055 /nfs/dbraw/zinc/98/50/55/988985055.db2.gz ONQBHXLKAUKSBA-DOMZBBRYSA-N -1 0 341.373 3.966 20 0 EHADRM C[C@@H]1CN(C(=O)N[C@H](CC(C)(C)C)c2ccccc2)C[C@H]1CC(=O)[O-] ZINC001599856156 989091160 /nfs/dbraw/zinc/09/11/60/989091160.db2.gz VBLSPGNKCRFARC-DJIMGWMZSA-N -1 0 346.471 3.916 20 0 EHADRM CCc1noc(-c2ccc(C)c(NCc3cc(C)c(C(=O)[O-])o3)c2)n1 ZINC001597740777 989092706 /nfs/dbraw/zinc/09/27/06/989092706.db2.gz JQDXIXVJFNKZGW-UHFFFAOYSA-N -1 0 341.367 3.819 20 0 EHADRM CCc1oc(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)cc1C ZINC001597761602 989189916 /nfs/dbraw/zinc/18/99/16/989189916.db2.gz LZGLTYYCQVTKIL-UHFFFAOYSA-N -1 0 325.723 3.893 20 0 EHADRM CCc1oc(CN(CCC(F)(F)F)CC(F)(F)F)cc1C(=O)[O-] ZINC001597797191 989359833 /nfs/dbraw/zinc/35/98/33/989359833.db2.gz XCLJLGLLNFQMBS-UHFFFAOYSA-N -1 0 347.255 3.857 20 0 EHADRM CCc1oc(CNc2ccc(-n3cc(C)cn3)c(F)c2)cc1C(=O)[O-] ZINC001597805147 989410735 /nfs/dbraw/zinc/41/07/35/989410735.db2.gz UHNIVAAVXGYYHT-UHFFFAOYSA-N -1 0 343.358 3.786 20 0 EHADRM CCC(CC)CCCN(C)C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000620198469 1125507140 /nfs/dbraw/zinc/50/71/40/1125507140.db2.gz IXELNHZRINJGDC-UHFFFAOYSA-N -1 0 343.471 3.762 20 0 EHADRM CCn1c(SCc2ccoc2C(=O)[O-])nnc1-c1ccccc1 ZINC001597864684 989650494 /nfs/dbraw/zinc/65/04/94/989650494.db2.gz MUWOEKUXEFTGSE-UHFFFAOYSA-N -1 0 329.381 3.549 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccc(OCc2cc(C(=O)[O-])co2)cc1 ZINC001590304399 989734047 /nfs/dbraw/zinc/73/40/47/989734047.db2.gz XWRHMIPHHNKAAN-UHFFFAOYSA-N -1 0 333.340 3.904 20 0 EHADRM CCn1nc(C(=O)Nc2c(C)c(C(=O)[O-])ccc2Cl)cc1C1CC1 ZINC001597928238 989883125 /nfs/dbraw/zinc/88/31/25/989883125.db2.gz ZTTFRNXLBLUFPZ-UHFFFAOYSA-N -1 0 347.802 3.693 20 0 EHADRM CC(C)(C)OCCCC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001590382648 989900607 /nfs/dbraw/zinc/90/06/07/989900607.db2.gz RFSVWLOTJOUBAB-UHFFFAOYSA-N -1 0 339.457 3.859 20 0 EHADRM CC(C)(C)OCc1ccccc1C(=O)NCCCCCCC(=O)[O-] ZINC001590399118 989933395 /nfs/dbraw/zinc/93/33/95/989933395.db2.gz WSOKCDVPMNWXCX-UHFFFAOYSA-N -1 0 335.444 3.767 20 0 EHADRM CC(C)(C)SCC(=O)Oc1ccc(Br)cc1C(=O)[O-] ZINC001590429422 989981203 /nfs/dbraw/zinc/98/12/03/989981203.db2.gz IAGIKOJHWALSAT-UHFFFAOYSA-N -1 0 347.230 3.584 20 0 EHADRM CC(C)(C)SCC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001590429464 989981314 /nfs/dbraw/zinc/98/13/14/989981314.db2.gz KFQDFZITMUJWML-UHFFFAOYSA-N -1 0 327.471 3.795 20 0 EHADRM CC(C)(C)Sc1ccc(NC(=O)NC2CC(CC(=O)[O-])C2)cc1 ZINC001590434627 989991025 /nfs/dbraw/zinc/99/10/25/989991025.db2.gz BZERWOLRFMCOLR-UHFFFAOYSA-N -1 0 336.457 3.952 20 0 EHADRM CC(C)(C)Sc1ccc(NC(=O)c2csc(C(=O)[O-])n2)cc1 ZINC001590434959 989994422 /nfs/dbraw/zinc/99/44/22/989994422.db2.gz PYHCOAVOIJUMGL-UHFFFAOYSA-N -1 0 336.438 3.984 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)COc2ccsc2)s1 ZINC001590460831 990023194 /nfs/dbraw/zinc/02/31/94/990023194.db2.gz BRMJLZQOPPAYPO-UHFFFAOYSA-N -1 0 339.438 3.823 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(N)c2)cc1 ZINC001590479791 990056250 /nfs/dbraw/zinc/05/62/50/990056250.db2.gz GJNPEYPUKQRLDW-KRWDZBQOSA-N -1 0 340.423 3.512 20 0 EHADRM CC(C)(C)c1ccc(CCNC(=O)c2cc(F)cc(C(=O)[O-])c2)cc1 ZINC001590485465 990084135 /nfs/dbraw/zinc/08/41/35/990084135.db2.gz YHWJJVRHXYRLGM-UHFFFAOYSA-N -1 0 343.398 3.794 20 0 EHADRM CN(C(=O)C1(c2ccccc2)CCCCCC1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597996540 990104377 /nfs/dbraw/zinc/10/43/77/990104377.db2.gz LYMJDPTZTLXHSH-WOVMCDHWSA-N -1 0 329.440 3.600 20 0 EHADRM CC(C)(C)c1cccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])c1 ZINC001590498955 990111209 /nfs/dbraw/zinc/11/12/09/990111209.db2.gz NBSZGGGCDGTUSU-SFHVURJKSA-N -1 0 337.419 3.636 20 0 EHADRM CN(C(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1)c1ccccc1C(=O)[O-] ZINC001598002886 990137885 /nfs/dbraw/zinc/13/78/85/990137885.db2.gz CIIAGTGOMDDHEK-CABCVRRESA-N -1 0 327.355 3.681 20 0 EHADRM CC(C)(C)c1coc(CN2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)n1 ZINC001590526902 990138760 /nfs/dbraw/zinc/13/87/60/990138760.db2.gz NEZNCPVXDNJKBX-GJZGRUSLSA-N -1 0 328.412 3.762 20 0 EHADRM CC(C)(C)c1ncc(/C=C\C(=O)O[C@@H](C(=O)[O-])c2ccccc2)s1 ZINC001590555883 990193877 /nfs/dbraw/zinc/19/38/77/990193877.db2.gz BXGNOQXCZLFMNF-FJVVXJACSA-N -1 0 345.420 3.823 20 0 EHADRM CC(C)(C)n1cc(CSCCOc2ccccc2C(=O)[O-])cn1 ZINC001590593541 990246845 /nfs/dbraw/zinc/24/68/45/990246845.db2.gz KDYTWDIVJHXTAD-UHFFFAOYSA-N -1 0 334.441 3.649 20 0 EHADRM CN(C(=O)Nc1ccc(C(=O)[O-])cn1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001598057113 990322600 /nfs/dbraw/zinc/32/26/00/990322600.db2.gz OAHOEDOMMDUUFK-HZPDHXFCSA-N -1 0 339.395 3.580 20 0 EHADRM CC(C)(C)[C@@H]1CCc2sc(C(=O)NC(C)(C)CC(=O)[O-])cc2C1 ZINC001590642175 990331527 /nfs/dbraw/zinc/33/15/27/990331527.db2.gz FGLAOQCESLHYCP-GFCCVEGCSA-N -1 0 337.485 3.882 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)/C=C\c1ccc(F)c2ccccc12 ZINC001590657865 990357637 /nfs/dbraw/zinc/35/76/37/990357637.db2.gz KKTXTAQUQQLMIX-NTMALXAHSA-N -1 0 329.371 3.752 20 0 EHADRM CC(C)(CCCc1ccccc1)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001590664650 990362732 /nfs/dbraw/zinc/36/27/32/990362732.db2.gz FSNYQLCXHJJKLW-TVFCKZIOSA-N -1 0 343.467 3.651 20 0 EHADRM CN(C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001598073279 990376185 /nfs/dbraw/zinc/37/61/85/990376185.db2.gz YGOBMGCTRPWYRR-BRSBDYLESA-N -1 0 329.440 3.672 20 0 EHADRM CN(C(=O)c1ccc(-c2cccs2)o1)C1(C(=O)[O-])CCCCC1 ZINC001598081816 990396440 /nfs/dbraw/zinc/39/64/40/990396440.db2.gz BEHUSJWKNRVGNH-UHFFFAOYSA-N -1 0 333.409 3.868 20 0 EHADRM CC(C)(CCS(=O)(=O)Oc1ccc(C(=O)[O-])c(Cl)c1)C1CC1 ZINC001590694585 990413898 /nfs/dbraw/zinc/41/38/98/990413898.db2.gz UJSWJKLCRVHBQE-UHFFFAOYSA-N -1 0 346.832 3.573 20 0 EHADRM CC(C)(CNc1nc(C2CC2)nc2sc3c(c21)CCCC3)C(=O)[O-] ZINC001590780082 990592050 /nfs/dbraw/zinc/59/20/50/990592050.db2.gz KQHLYUUZLLEKQO-UHFFFAOYSA-N -1 0 345.468 3.970 20 0 EHADRM CN(C)C(=O)Sc1cccc(CSCC(C)(C)C(=O)[O-])c1 ZINC001598151446 990632188 /nfs/dbraw/zinc/63/21/88/990632188.db2.gz KUOSJDQJEQXGCI-UHFFFAOYSA-N -1 0 327.471 3.804 20 0 EHADRM CC(C)(Cc1ccccc1)c1noc([C@@H]2CCC[C@H](C(=O)[O-])C2)n1 ZINC001590827038 990671945 /nfs/dbraw/zinc/67/19/45/990671945.db2.gz LJRKYCOSKFSSEJ-CABCVRRESA-N -1 0 328.412 3.948 20 0 EHADRM CC(C)(S[C@H](CNC(=O)c1ccccc1)C(=O)[O-])c1ccccc1 ZINC001590907343 990873506 /nfs/dbraw/zinc/87/35/06/990873506.db2.gz SIKMOKYBUHXECQ-MRXNPFEDSA-N -1 0 343.448 3.538 20 0 EHADRM CC(C)=C(C)CC(=O)NCc1ccc(C(=O)[O-])cc1Br ZINC001590913049 990894034 /nfs/dbraw/zinc/89/40/34/990894034.db2.gz VJWWKKRBLXQWMR-UHFFFAOYSA-N -1 0 340.217 3.510 20 0 EHADRM CC(C)=CCC[C@@H](C)CC(=O)N(CCC(=O)[O-])Cc1ccncc1 ZINC001590915000 990901284 /nfs/dbraw/zinc/90/12/84/990901284.db2.gz NAWKELOSPHCMDB-MRXNPFEDSA-N -1 0 332.444 3.658 20 0 EHADRM CC(C)=CCOc1cccc(CC(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC001590926731 990925709 /nfs/dbraw/zinc/92/57/09/990925709.db2.gz CTMSKMUSMCCKPD-UHFFFAOYSA-N -1 0 339.391 3.911 20 0 EHADRM COc1cccc(Sc2ccc(NC3CC(CC(=O)[O-])C3)nc2)c1 ZINC001599684016 990957847 /nfs/dbraw/zinc/95/78/47/990957847.db2.gz LMSLEZDMKJCAOP-UHFFFAOYSA-N -1 0 344.436 3.907 20 0 EHADRM COc1cccc(SCC(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c1 ZINC001599684171 990960121 /nfs/dbraw/zinc/96/01/21/990960121.db2.gz OTCKKSIUPFIERZ-GFCCVEGCSA-N -1 0 345.420 3.614 20 0 EHADRM COc1cccc2c1CC[C@@H](Nc1ccc(C[C@@H](C)C(=O)[O-])cc1)C2 ZINC001599689720 991047451 /nfs/dbraw/zinc/04/74/51/991047451.db2.gz LTHQYYLZAZHWBY-RDTXWAMCSA-N -1 0 339.435 3.928 20 0 EHADRM CC(C)[C@H](C(=O)OCc1ccc(C(=O)[O-])cn1)c1cccc(Cl)c1 ZINC001590960383 991051201 /nfs/dbraw/zinc/05/12/01/991051201.db2.gz CLFGVASEEOJHGG-INIZCTEOSA-N -1 0 347.798 3.916 20 0 EHADRM COc1cccc2c1CCCCN2C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001599690462 991060853 /nfs/dbraw/zinc/06/08/53/991060853.db2.gz GKMZIPYUMDVNGA-UHFFFAOYSA-N -1 0 340.379 3.768 20 0 EHADRM COc1cccc2cc(C(=O)OCc3cc(C(=O)[O-])ccc3C)oc21 ZINC001599692111 991087298 /nfs/dbraw/zinc/08/72/98/991087298.db2.gz KGEYJWHSSNDDPI-UHFFFAOYSA-N -1 0 340.331 3.805 20 0 EHADRM COc1cccc2cc(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])oc21 ZINC001599693659 991113018 /nfs/dbraw/zinc/11/30/18/991113018.db2.gz ZIHVYBRBINLILO-UHFFFAOYSA-N -1 0 347.411 3.650 20 0 EHADRM COc1ccccc1-c1nc(CN2CCCCC[C@@H]2C(=O)[O-])cs1 ZINC001599695480 991143093 /nfs/dbraw/zinc/14/30/93/991143093.db2.gz WTZKHLJZMZVFFW-OAHLLOKOSA-N -1 0 346.452 3.648 20 0 EHADRM CC(C)[C@H](CNc1ncc(C(=O)[O-])cc1Cl)Nc1ccccc1 ZINC001590988022 991177726 /nfs/dbraw/zinc/17/77/26/991177726.db2.gz JCENXZAUOJNMRU-HNNXBMFYSA-N -1 0 333.819 3.982 20 0 EHADRM CC(C)[C@H](CNC(=O)c1ccnc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001590988944 991191689 /nfs/dbraw/zinc/19/16/89/991191689.db2.gz QMWNBZNKRMMXFP-HNNXBMFYSA-N -1 0 346.814 3.603 20 0 EHADRM CC(C)[C@@H](CSc1ccccc1)OC(=O)c1cncc(C(=O)[O-])c1 ZINC001590994247 991219198 /nfs/dbraw/zinc/21/91/98/991219198.db2.gz YGSPMCBZDXZBFP-MRXNPFEDSA-N -1 0 345.420 3.754 20 0 EHADRM CC(C)[C@H](NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)c1ccccc1 ZINC001591007841 991272536 /nfs/dbraw/zinc/27/25/36/991272536.db2.gz OOTDXBGMEJSQIZ-FUHIMQAGSA-N -1 0 344.455 3.670 20 0 EHADRM CC(C)[C@@H](NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001591013340 991283019 /nfs/dbraw/zinc/28/30/19/991283019.db2.gz MZYXROCABACEJP-VHDGCEQUSA-N -1 0 338.835 3.590 20 0 EHADRM CC(C)[C@H](NC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)[O-] ZINC001591018815 991298582 /nfs/dbraw/zinc/29/85/82/991298582.db2.gz IXVOIOLOHFIILX-HNNXBMFYSA-N -1 0 349.471 3.826 20 0 EHADRM COc1ccccc1CN([C@H](C)c1ncc(C(=O)[O-])s1)C1CC1 ZINC001599708848 991335613 /nfs/dbraw/zinc/33/56/13/991335613.db2.gz HINWFFQEFNRULI-LLVKDONJSA-N -1 0 332.425 3.576 20 0 EHADRM CN(C)c1ccc(OC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1C(=O)[O-] ZINC001598329468 991362119 /nfs/dbraw/zinc/36/21/19/991362119.db2.gz RRHKDOZTSKDDHQ-RRFJBIMHSA-N -1 0 345.439 3.963 20 0 EHADRM COc1ccccc1CN(OC)[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001599711144 991372603 /nfs/dbraw/zinc/37/26/03/991372603.db2.gz IKQUCDQUYHURHG-INIZCTEOSA-N -1 0 335.787 3.538 20 0 EHADRM CC(C)[C@H](OC(=O)c1ccc(Oc2ccc(Cl)cn2)cc1)C(=O)[O-] ZINC001591046902 991438011 /nfs/dbraw/zinc/43/80/11/991438011.db2.gz GWQRYMSJQJNGMU-HNNXBMFYSA-N -1 0 349.770 3.793 20 0 EHADRM CC(C)[C@]1(C)C[C@@H]1C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001591058422 991473950 /nfs/dbraw/zinc/47/39/50/991473950.db2.gz PAGCVJPUZLVCLM-MDYRTPRTSA-N -1 0 329.440 3.603 20 0 EHADRM CC(C)C1CCC(NC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CC1 ZINC001591080725 991585250 /nfs/dbraw/zinc/58/52/50/991585250.db2.gz CDGWLCBDOZFHEQ-UHFFFAOYSA-N -1 0 340.370 3.999 20 0 EHADRM CC(C)[C@H]1C[C@H]1C(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001591080581 991585677 /nfs/dbraw/zinc/58/56/77/991585677.db2.gz UBGUCIIAKXBMJA-HUUCEWRRSA-N -1 0 345.420 3.844 20 0 EHADRM CC(C)[C@@H]1CCCCCN1C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001591088416 991621965 /nfs/dbraw/zinc/62/19/65/991621965.db2.gz INSLJSHXXVYIJS-KRWDZBQOSA-N -1 0 342.439 3.767 20 0 EHADRM COc1cncc(C(=O)Nc2c(C(=O)[O-])ccc3ccccc32)c1C ZINC001599726224 991629172 /nfs/dbraw/zinc/62/91/72/991629172.db2.gz HIELFVLUKCZOMN-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM COc1nc(C)ccc1C(=O)Nc1c(C(=O)[O-])ccc2ccccc21 ZINC001599730444 991702756 /nfs/dbraw/zinc/70/27/56/991702756.db2.gz SNIWUBXROOYFFD-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM CC(C)[C@@H]1N(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CC1(C)C ZINC001591099654 991713397 /nfs/dbraw/zinc/71/33/97/991713397.db2.gz OQRBMCNLTAKMTF-ZDUSSCGKSA-N -1 0 326.343 3.561 20 0 EHADRM CC(C)C[C@@H](C)OCCC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001591138250 991856388 /nfs/dbraw/zinc/85/63/88/991856388.db2.gz LFVDQQSEPQZFSB-SNVBAGLBSA-N -1 0 345.798 3.957 20 0 EHADRM COc1nsc(CNc2ccc3c(c2)CCCCC3)c1C(=O)[O-] ZINC001599741171 991859517 /nfs/dbraw/zinc/85/95/17/991859517.db2.gz DSANCPAXFPUQFS-UHFFFAOYSA-N -1 0 332.425 3.731 20 0 EHADRM CC(C)CC(CC(C)C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC001591142535 991865820 /nfs/dbraw/zinc/86/58/20/991865820.db2.gz FSFJOGARFUBZIN-SFHVURJKSA-N -1 0 331.456 3.733 20 0 EHADRM CC(C)CC(CC(C)C)C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC001591143900 991873038 /nfs/dbraw/zinc/87/30/38/991873038.db2.gz WSUZULWSCXLCBF-SFHVURJKSA-N -1 0 331.456 3.905 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccc(-c2ccc[nH]2)cc1)C(=O)[O-] ZINC001591150558 991892321 /nfs/dbraw/zinc/89/23/21/991892321.db2.gz FIBPNDFBZMDNLW-CQSZACIVSA-N -1 0 329.400 3.550 20 0 EHADRM CN(CC1CCCC1)C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001598454614 991923209 /nfs/dbraw/zinc/92/32/09/991923209.db2.gz FSCPTBZTULLTAD-UHFFFAOYSA-N -1 0 328.771 3.831 20 0 EHADRM CC(C)C[C@@H](CNc1nc(C(F)F)nc2ccc(F)cc21)C(=O)[O-] ZINC001591163098 991929666 /nfs/dbraw/zinc/92/96/66/991929666.db2.gz YTBAYELUTKXGMK-VIFPVBQESA-N -1 0 341.333 3.865 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1ccc(C(=O)[O-])n1C)c1ccc(Cl)cc1 ZINC001591178655 991976093 /nfs/dbraw/zinc/97/60/93/991976093.db2.gz SEZWNZRKBWTDRV-CQSZACIVSA-N -1 0 348.830 3.894 20 0 EHADRM CC(C)CC1(NC(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)CC1 ZINC001591197413 992017258 /nfs/dbraw/zinc/01/72/58/992017258.db2.gz GEYDVRGDBFJBEP-UHFFFAOYSA-N -1 0 328.771 3.878 20 0 EHADRM CN(CCC(F)(F)F)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001598470707 992021613 /nfs/dbraw/zinc/02/16/13/992021613.db2.gz QUPNPUTVBCPZAH-UHFFFAOYSA-N -1 0 340.301 3.954 20 0 EHADRM CC(C)CC1CCN(C(=O)Cn2cc(C(=O)[O-])c3ccccc32)CC1 ZINC001591207704 992045018 /nfs/dbraw/zinc/04/50/18/992045018.db2.gz WWULZZBYDZWDCD-UHFFFAOYSA-N -1 0 342.439 3.624 20 0 EHADRM CC(C)CCC(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001591214282 992069492 /nfs/dbraw/zinc/06/94/92/992069492.db2.gz XZQVWFJAJBUUJY-UHFFFAOYSA-N -1 0 332.169 3.661 20 0 EHADRM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001591220777 992081567 /nfs/dbraw/zinc/08/15/67/992081567.db2.gz CHZVOUBXQFPMOE-IKGGRYGDSA-N -1 0 338.492 3.878 20 0 EHADRM CC(C)CCC1CCN(Cc2nc3cc(C(=O)[O-])ccc3[nH]2)CC1 ZINC001591227439 992099576 /nfs/dbraw/zinc/09/95/76/992099576.db2.gz HWZBRKFZSDVBHN-UHFFFAOYSA-N -1 0 329.444 3.909 20 0 EHADRM CC(C)CCCCNS(=O)(=O)c1cc2ccccc2cc1C(=O)[O-] ZINC001591238702 992126380 /nfs/dbraw/zinc/12/63/80/992126380.db2.gz POJFXWQQSVZGKD-UHFFFAOYSA-N -1 0 349.452 3.643 20 0 EHADRM CC(C)CCO[C@H]1CC[C@H](NC(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC001591259519 992163206 /nfs/dbraw/zinc/16/32/06/992163206.db2.gz KAANZOPUOMCRHJ-JCNLHEQBSA-N -1 0 348.443 3.880 20 0 EHADRM CC(C)CCOc1ccc(-c2nnc(C34CC(C(=O)[O-])(C3)C4)o2)cc1 ZINC001591259904 992165460 /nfs/dbraw/zinc/16/54/60/992165460.db2.gz QATFSACLUDSSTN-UHFFFAOYSA-N -1 0 342.395 3.668 20 0 EHADRM CC(C)CCc1nc(COC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cs1 ZINC001591270619 992190800 /nfs/dbraw/zinc/19/08/00/992190800.db2.gz XEOWBEOILBRYIS-JOCQHMNTSA-N -1 0 339.457 3.666 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC001591298158 992248054 /nfs/dbraw/zinc/24/80/54/992248054.db2.gz QXJIMLIWBCKOFD-UHFFFAOYSA-N -1 0 342.439 3.620 20 0 EHADRM CC(C)CN(Cc1cccc(C(F)(F)F)c1)C(=O)CCCC(=O)[O-] ZINC001591343702 992325547 /nfs/dbraw/zinc/32/55/47/992325547.db2.gz BLWHVFIKMRJHOK-UHFFFAOYSA-N -1 0 345.361 3.945 20 0 EHADRM CS[C@H](C)CCC(=O)Oc1ccc(C(=O)[O-])cc1Br ZINC001599782415 992382009 /nfs/dbraw/zinc/38/20/09/992382009.db2.gz AZVMQIKJTUKITG-MRVPVSSYSA-N -1 0 347.230 3.584 20 0 EHADRM CS[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC001599783117 992391216 /nfs/dbraw/zinc/39/12/16/992391216.db2.gz CZQGBPMOUKKLHA-DYVFJYSZSA-N -1 0 343.448 3.737 20 0 EHADRM CC(C)COc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC001591396812 992462011 /nfs/dbraw/zinc/46/20/11/992462011.db2.gz SKADDINVSBMNSC-KRWDZBQOSA-N -1 0 328.364 3.704 20 0 EHADRM CC(C)COc1cccc(CNC(=O)Nc2ccc(C(=O)[O-])s2)c1 ZINC001591402074 992481357 /nfs/dbraw/zinc/48/13/57/992481357.db2.gz PTKHTMUNJPMHTO-UHFFFAOYSA-N -1 0 348.424 3.803 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 ZINC001591422967 992505339 /nfs/dbraw/zinc/50/53/39/992505339.db2.gz SCSCRRBLBFIBSK-STQMWFEESA-N -1 0 349.324 3.674 20 0 EHADRM CN(Cc1cc(Cl)ccc1F)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001598506891 992515361 /nfs/dbraw/zinc/51/53/61/992515361.db2.gz DMOVDQKQNXVLFI-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM CC(C)C[C@H](NC(=O)CCCc1ccc2c(c1)CCCC2)C(=O)[O-] ZINC001591453212 992559138 /nfs/dbraw/zinc/55/91/38/992559138.db2.gz DAHISAFSVSANEL-SFHVURJKSA-N -1 0 331.456 3.504 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001598510387 992562370 /nfs/dbraw/zinc/56/23/70/992562370.db2.gz QLKPPIIZCNHGNN-MOPGFXCFSA-N -1 0 337.419 3.927 20 0 EHADRM CC(C)Cc1ccc(C(=O)N(CC(C)C)C(C)(C)C(=O)[O-])s1 ZINC001591477063 992596720 /nfs/dbraw/zinc/59/67/20/992596720.db2.gz GVPIMXWFKHQWRU-UHFFFAOYSA-N -1 0 325.474 3.908 20 0 EHADRM CC(C)Cc1ccc(C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)s1 ZINC001591477423 992598199 /nfs/dbraw/zinc/59/81/99/992598199.db2.gz QGAACGTUZFVZAM-MRXNPFEDSA-N -1 0 331.437 3.845 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])cc1 ZINC001591484121 992606972 /nfs/dbraw/zinc/60/69/72/992606972.db2.gz QYJFGAQHJGQTDS-KRWDZBQOSA-N -1 0 333.472 3.823 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)Nc2cccc(C(=O)[O-])n2)cc1 ZINC001591484177 992607989 /nfs/dbraw/zinc/60/79/89/992607989.db2.gz UNEVGSPVRFGDHK-UHFFFAOYSA-N -1 0 326.396 3.550 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)NCC2(C(=O)[O-])CCCC2)cc1 ZINC001591484512 992611268 /nfs/dbraw/zinc/61/12/68/992611268.db2.gz ZGOMPCDLZGZPTH-UHFFFAOYSA-N -1 0 331.456 3.579 20 0 EHADRM CC(C)Cc1ccccc1CNC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001591490863 992624409 /nfs/dbraw/zinc/62/44/09/992624409.db2.gz KWEPRJKWRQMAMR-UHFFFAOYSA-N -1 0 329.440 3.536 20 0 EHADRM CN(Cc1ccc(/C=C\C(=O)[O-])o1)Cc1nc2ccccc2s1 ZINC001598518402 992647167 /nfs/dbraw/zinc/64/71/67/992647167.db2.gz YZCXHYKLEALNPD-HJWRWDBZSA-N -1 0 328.393 3.619 20 0 EHADRM CN(Cc1ccc(N[C@@H]2CC[C@@H](C(=O)[O-])C2)cc1)C(=O)OC(C)(C)C ZINC001598519093 992656680 /nfs/dbraw/zinc/65/66/80/992656680.db2.gz IIKABYXPMKZENK-GDBMZVCRSA-N -1 0 348.443 3.719 20 0 EHADRM CC(C)Cn1cc(C(=O)N2CC[C@H](C)C[C@@H]2C(=O)[O-])c2ccccc21 ZINC001591520096 992685869 /nfs/dbraw/zinc/68/58/69/992685869.db2.gz FBSIFHRGGINPRD-KBXCAEBGSA-N -1 0 342.439 3.623 20 0 EHADRM CC(C)Cn1cc(C(=O)N[C@H](CC(C)(C)C)C(=O)[O-])c2ccccc21 ZINC001591520345 992687622 /nfs/dbraw/zinc/68/76/22/992687622.db2.gz RDPZZIJCTUQJCF-MRXNPFEDSA-N -1 0 344.455 3.917 20 0 EHADRM CC(C)Cn1ccc2c1cccc2C(=O)NC(C)(C)CCC(=O)[O-] ZINC001591521903 992694770 /nfs/dbraw/zinc/69/47/70/992694770.db2.gz ZHLCKFJZGCVNKT-UHFFFAOYSA-N -1 0 330.428 3.671 20 0 EHADRM CC(C)N(C(=O)c1cccc(OCC(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001591542992 992725164 /nfs/dbraw/zinc/72/51/64/992725164.db2.gz VFMWHYYRPWSNGY-UHFFFAOYSA-N -1 0 347.798 3.859 20 0 EHADRM CC(C)N(C(=O)Cc1ccc(C(=O)[O-])cc1)[C@@H](C)c1ccccc1 ZINC001591543228 992725813 /nfs/dbraw/zinc/72/58/13/992725813.db2.gz ACWSKEFPKWTTOA-HNNXBMFYSA-N -1 0 325.408 3.926 20 0 EHADRM CN(Cc1ccncc1F)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598531222 992783008 /nfs/dbraw/zinc/78/30/08/992783008.db2.gz CBCCWSLCFPXPDS-CQSZACIVSA-N -1 0 343.185 3.785 20 0 EHADRM CC(C)N(Cc1cc(C(=O)[O-])ccc1Br)CC(F)F ZINC001591596405 992821782 /nfs/dbraw/zinc/82/17/82/992821782.db2.gz BARMTWQOHJFMSB-UHFFFAOYSA-N -1 0 336.176 3.623 20 0 EHADRM CC(C)N(Cc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001591603757 992837159 /nfs/dbraw/zinc/83/71/59/992837159.db2.gz QPVRVGBXKPDCTN-UHFFFAOYSA-N -1 0 332.425 3.567 20 0 EHADRM CN(Cc1csc2ccccc12)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001598536381 992843706 /nfs/dbraw/zinc/84/37/06/992843706.db2.gz SLRWSLWEBRWPIN-UHFFFAOYSA-N -1 0 341.392 3.658 20 0 EHADRM COc1ccc(N(C)C(=O)Nc2c(C)sc(C)c2C(=O)[O-])cc1 ZINC001599582846 993575076 /nfs/dbraw/zinc/57/50/76/993575076.db2.gz HAPTUPDRUZQEER-UHFFFAOYSA-N -1 0 334.397 3.740 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@](C)(C(=O)[O-])C1)c1cc2ccccc2s1 ZINC001593062617 993578894 /nfs/dbraw/zinc/57/88/94/993578894.db2.gz GVTHHYGMEAKREZ-XIKOKIGWSA-N -1 0 346.452 3.859 20 0 EHADRM COc1ccc(NC(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)cc1 ZINC001599594300 993729574 /nfs/dbraw/zinc/72/95/74/993729574.db2.gz NPSMUUQWMXJVSJ-UHFFFAOYSA-N -1 0 325.324 3.519 20 0 EHADRM C[C@@H](NC(=O)Nc1cc(C(=O)[O-])cs1)C1CCC(F)(F)CC1 ZINC001593110114 993780369 /nfs/dbraw/zinc/78/03/69/993780369.db2.gz VGAYLFATFZRMEN-MRVPVSSYSA-N -1 0 332.372 3.782 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1cc2cnccc2o1 ZINC001593113209 993790020 /nfs/dbraw/zinc/79/00/20/993790020.db2.gz SOSJDDZTABFPCF-SECBINFHSA-N -1 0 343.314 3.548 20 0 EHADRM COc1ccc(OCCS[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001599607118 993900917 /nfs/dbraw/zinc/90/09/17/993900917.db2.gz XRCSQNWYYRISFN-MRXNPFEDSA-N -1 0 336.384 3.772 20 0 EHADRM C[C@H](NC(=O)c1cc(C(=O)[O-])co1)c1cc(Cl)cc(Cl)c1F ZINC001593150197 993956907 /nfs/dbraw/zinc/95/69/07/993956907.db2.gz PONJMGDSGPEZIG-LURJTMIESA-N -1 0 346.141 3.915 20 0 EHADRM COc1ccc([C@@H](C)NCc2cccc(C(=O)[O-])c2Cl)c(OC)c1 ZINC001599619917 994067186 /nfs/dbraw/zinc/06/71/86/994067186.db2.gz FZPKTYNYFZAWSL-LLVKDONJSA-N -1 0 349.814 3.906 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)CC2(CC(=O)[O-])CCCC2)cc1C ZINC001599621135 994084331 /nfs/dbraw/zinc/08/43/31/994084331.db2.gz ZSUAMSZAXUUBNP-CQSZACIVSA-N -1 0 333.428 3.606 20 0 EHADRM COc1ccc2c(c1)[C@H](C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1)CCC2 ZINC001599625127 994137494 /nfs/dbraw/zinc/13/74/94/994137494.db2.gz LFRBGHDOEQHHBS-SMDDNHRTSA-N -1 0 344.363 3.711 20 0 EHADRM C[C@H](N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1)c1cscn1 ZINC001593197355 994162472 /nfs/dbraw/zinc/16/24/72/994162472.db2.gz ZVTBGAZTBLNXFT-UFBFGSQYSA-N -1 0 330.331 3.638 20 0 EHADRM C[C@@H](N[C@@H](C)c1cc(C(=O)[O-])co1)c1ccc(Br)cn1 ZINC001593198525 994172995 /nfs/dbraw/zinc/17/29/95/994172995.db2.gz SDXFPURHZFAVES-BDAKNGLRSA-N -1 0 339.189 3.547 20 0 EHADRM C[C@@H](N[C@H](C)c1ncc(C(=O)[O-])s1)c1ncc(-c2ccccc2)o1 ZINC001593202994 994183072 /nfs/dbraw/zinc/18/30/72/994183072.db2.gz BRODPGIXNRJGMR-GHMZBOCLSA-N -1 0 343.408 3.908 20 0 EHADRM C[C@H](N[C@@H](C)c1cc(F)c(F)c(F)c1)c1ncc(C(=O)[O-])s1 ZINC001593203285 994186078 /nfs/dbraw/zinc/18/60/78/994186078.db2.gz DAIUEFPPWXNKNR-BQBZGAKWSA-N -1 0 330.331 3.670 20 0 EHADRM C[C@H](N[C@@H](C)c1ccc(OCC(=O)[O-])cc1)c1nc2ccccc2o1 ZINC001593205354 994212481 /nfs/dbraw/zinc/21/24/81/994212481.db2.gz ZZMKTFVXFISHDL-STQMWFEESA-N -1 0 340.379 3.703 20 0 EHADRM O=C(NCc1ncc(-c2ccccc2)o1)c1ccc([O-])c(Cl)c1 ZINC000047092577 1015845545 /nfs/dbraw/zinc/84/55/45/1015845545.db2.gz YZJPOZHHOFRPEU-UHFFFAOYSA-N -1 0 328.755 3.631 20 0 EHADRM COc1ccc2oc(C(=O)O[C@H](C(=O)[O-])c3ccccc3)c(C)c2c1 ZINC001599637802 994314456 /nfs/dbraw/zinc/31/44/56/994314456.db2.gz JXWPEIUGSXKFFU-KRWDZBQOSA-N -1 0 340.331 3.733 20 0 EHADRM COc1cccc(-c2nc(CN3CCCCC[C@@H]3C(=O)[O-])cs2)c1 ZINC001599641222 994361636 /nfs/dbraw/zinc/36/16/36/994361636.db2.gz XYBGQEWOLABVSV-MRXNPFEDSA-N -1 0 346.452 3.648 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1cc(-c2ccccc2)ccn1 ZINC001599643285 994389196 /nfs/dbraw/zinc/38/91/96/994389196.db2.gz AAXJVTKAQHLKRA-UHFFFAOYSA-N -1 0 349.342 3.675 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)c1oc(C(F)F)cc1C ZINC001599643538 994391725 /nfs/dbraw/zinc/39/17/25/994391725.db2.gz CZYILEQBBCUHHL-UHFFFAOYSA-N -1 0 339.294 3.509 20 0 EHADRM COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)c2ccc(C(C)C)cc2)c1 ZINC001599649126 994469409 /nfs/dbraw/zinc/46/94/09/994469409.db2.gz NXIQGAYXNBNOAX-SFHVURJKSA-N -1 0 341.407 3.717 20 0 EHADRM COc1cccc([C@H](C(=O)[O-])N2CC3(CCC3)c3c2cccc3F)c1 ZINC001599651193 994502795 /nfs/dbraw/zinc/50/27/95/994502795.db2.gz UQHXAVXXEKGZSW-GOSISDBHSA-N -1 0 341.382 3.902 20 0 EHADRM COc1cccc(/C(C)=C/C(=O)O[C@H](C)c2cc(C(=O)[O-])co2)c1 ZINC001599654311 994554496 /nfs/dbraw/zinc/55/44/96/994554496.db2.gz KQWJOZWQNSDOID-YTRUQHMWSA-N -1 0 330.336 3.694 20 0 EHADRM COc1cccc(C(F)(F)c2nc(-c3ccc(C(=O)[O-])cc3)no2)c1 ZINC001599657205 994601024 /nfs/dbraw/zinc/60/10/24/994601024.db2.gz JCQVNVZDZCNYHA-UHFFFAOYSA-N -1 0 346.289 3.584 20 0 EHADRM COc1cccc(C2(C(=O)O[C@H](C)c3cc(C)c(C(=O)[O-])o3)CC2)c1 ZINC001599661497 994663065 /nfs/dbraw/zinc/66/30/65/994663065.db2.gz LQWMVGKUJDECOG-GFCCVEGCSA-N -1 0 344.363 3.631 20 0 EHADRM COc1cccc([C@H]2C[C@H]2C(=O)Oc2cc(C(=O)[O-])cc(F)c2C)c1 ZINC001599666321 994736110 /nfs/dbraw/zinc/73/61/10/994736110.db2.gz QEYFIXJXMISUGQ-HUUCEWRRSA-N -1 0 344.338 3.550 20 0 EHADRM CNc1ccc(C(=O)Nc2ccc3c(c2)[nH]cc3C(=O)[O-])c(Cl)c1 ZINC001598678247 994883652 /nfs/dbraw/zinc/88/36/52/994883652.db2.gz BJLPSHBMOISJRH-UHFFFAOYSA-N -1 0 343.770 3.814 20 0 EHADRM C[C@@H](N[C@H](C)c1ccc(OC(F)(F)F)cc1)c1nc(C(=O)[O-])co1 ZINC001593354178 994987732 /nfs/dbraw/zinc/98/77/32/994987732.db2.gz JVTVIFUGPKQEBX-RKDXNWHRSA-N -1 0 344.289 3.683 20 0 EHADRM C[C@@H](Nc1nccc(C(=O)[O-])n1)c1cccc(SC(F)(F)F)c1 ZINC001593373663 995067993 /nfs/dbraw/zinc/06/79/93/995067993.db2.gz GTTWFKYUCHBCMH-MRVPVSSYSA-N -1 0 343.330 3.960 20 0 EHADRM C[C@@H](Nc1nc2c(cccc2F)o1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593374932 995075978 /nfs/dbraw/zinc/07/59/78/995075978.db2.gz WSVIWNCLAIJCML-DGCLKSJQSA-N -1 0 328.343 3.711 20 0 EHADRM COC(=O)[C@@H](C)c1cccc(NCc2cc(C(=O)[O-])ccc2Cl)c1 ZINC001598692032 995080225 /nfs/dbraw/zinc/08/02/25/995080225.db2.gz MZMSRWIMZQQPEH-NSHDSACASA-N -1 0 347.798 3.927 20 0 EHADRM C[C@](O)(CC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)c1ccccc1 ZINC001593380543 995089573 /nfs/dbraw/zinc/08/95/73/995089573.db2.gz ARPPBTYWESIFHK-NRFANRHFSA-N -1 0 349.386 3.774 20 0 EHADRM COC(=O)[C@H](SCc1ccccc1C)c1cccc(C(=O)[O-])c1 ZINC001598711663 995356736 /nfs/dbraw/zinc/35/67/36/995356736.db2.gz KWYCPCGGRVDEHP-MRXNPFEDSA-N -1 0 330.405 3.841 20 0 EHADRM COC(=O)[C@H](Sc1nc(C(=O)[O-])cs1)c1ccccc1Cl ZINC001598713063 995370918 /nfs/dbraw/zinc/37/09/18/995370918.db2.gz SZIXDTIVBMRVKE-SNVBAGLBSA-N -1 0 343.813 3.501 20 0 EHADRM COC(=O)[C@H](N[C@@H](C)c1ccc(Cl)cc1)c1cccc(C(=O)[O-])c1 ZINC001598713330 995374085 /nfs/dbraw/zinc/37/40/85/995374085.db2.gz LXEFOMDOTWOIJZ-MEDUHNTESA-N -1 0 347.798 3.603 20 0 EHADRM C[C@@H](OC(=O)C(C)(C)COCc1ccccc1)c1ccc(C(=O)[O-])o1 ZINC001593485778 995449579 /nfs/dbraw/zinc/44/95/79/995449579.db2.gz UHBZLLHGLJKNAT-CYBMUJFWSA-N -1 0 346.379 3.825 20 0 EHADRM C[C@@H](OC(=O)C1(Cc2ccccc2F)CC1)c1ccc(C(=O)[O-])o1 ZINC001593496026 995471911 /nfs/dbraw/zinc/47/19/11/995471911.db2.gz GDZHJUXTTIFRTB-LLVKDONJSA-N -1 0 332.327 3.744 20 0 EHADRM C[C@H](OC(=O)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)c1cc(C(=O)[O-])co1 ZINC001593499648 995493149 /nfs/dbraw/zinc/49/31/49/995493149.db2.gz LFEYLKVLIPORRR-UYLWRVOESA-N -1 0 346.766 3.821 20 0 EHADRM C[C@H](OC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)c1cc(C(=O)[O-])co1 ZINC001593500125 995497491 /nfs/dbraw/zinc/49/74/91/995497491.db2.gz NMSBOHYGVMVSAY-KDDOJWQBSA-N -1 0 336.290 3.664 20 0 EHADRM C[C@H](OC(=O)C12CCC(C(=O)[O-])(CC1)CC2)c1nc2ccccc2o1 ZINC001593501546 995504337 /nfs/dbraw/zinc/50/43/37/995504337.db2.gz SCOCCAHBVJRSJE-RMEHTXHKSA-N -1 0 343.379 3.857 20 0 EHADRM C[C@H](OC(=O)C[C@]12CCCC[C@H]1C2(F)F)c1ccc(C(=O)[O-])o1 ZINC001593513723 995526525 /nfs/dbraw/zinc/52/65/25/995526525.db2.gz FSQNHBHSFPECKG-TURKWSHLSA-N -1 0 328.311 3.798 20 0 EHADRM C[C@H](OC(=O)CSc1nc2ccccc2o1)c1ccc(C(=O)[O-])o1 ZINC001593534512 995589361 /nfs/dbraw/zinc/58/93/61/995589361.db2.gz AYPPEKLRJWXYSC-VIFPVBQESA-N -1 0 347.348 3.516 20 0 EHADRM C[C@H](OC(=O)c1cc(Br)cs1)c1cc(C(=O)[O-])co1 ZINC001593552852 995631588 /nfs/dbraw/zinc/63/15/88/995631588.db2.gz HDDMNKUCXOHERW-LURJTMIESA-N -1 0 345.170 3.720 20 0 EHADRM C[C@H](OC(=O)c1cc(F)c(Cl)nc1Cl)c1cc(C(=O)[O-])co1 ZINC001593565373 995659299 /nfs/dbraw/zinc/65/92/99/995659299.db2.gz PRBDJZDDDKGMSJ-YFKPBYRVSA-N -1 0 348.113 3.737 20 0 EHADRM C[C@H](OC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ncc(-c2ccccc2)o1 ZINC001593566863 995664625 /nfs/dbraw/zinc/66/46/25/995664625.db2.gz WETUBUNKVLMNCD-QEJZJMRPSA-N -1 0 343.379 3.837 20 0 EHADRM C[C@H](OC(=O)c1ccsc1CC(=O)[O-])c1cc(F)ccc1F ZINC001593598064 995743130 /nfs/dbraw/zinc/74/31/30/995743130.db2.gz TZQYMAFYHNMKLH-QMMMGPOBSA-N -1 0 326.320 3.571 20 0 EHADRM C[C@@H](Oc1ccc(CNc2cccc(-c3ccon3)c2)cc1)C(=O)[O-] ZINC001593620283 995869151 /nfs/dbraw/zinc/86/91/51/995869151.db2.gz YXNKLPJRCJRYAK-CYBMUJFWSA-N -1 0 338.363 3.806 20 0 EHADRM CC(C)c1cccc(O[C@H](C)C(=O)NC2(CC(=O)[O-])CCCCC2)c1 ZINC001593636189 995936200 /nfs/dbraw/zinc/93/62/00/995936200.db2.gz KNOQAVJVPPDEAL-OAHLLOKOSA-N -1 0 347.455 3.871 20 0 EHADRM C[C@H](Oc1ccccc1CN1Cc2cccc(Cl)c2C1)C(=O)[O-] ZINC001593645080 995970174 /nfs/dbraw/zinc/97/01/74/995970174.db2.gz GBSNROCRUBONKJ-LBPRGKRZSA-N -1 0 331.799 3.708 20 0 EHADRM C[C@H](SCc1nccn1Cc1ccccc1)c1nc(C(=O)[O-])co1 ZINC001593663891 996047073 /nfs/dbraw/zinc/04/70/73/996047073.db2.gz BBDJGRWRMQVSHV-LBPRGKRZSA-N -1 0 343.408 3.612 20 0 EHADRM C[C@@H](Sc1ccc(C(=O)[O-])cc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC001593664414 996051271 /nfs/dbraw/zinc/05/12/71/996051271.db2.gz RSHPBCLXMYDIGV-QWHCGFSZSA-N -1 0 341.432 3.843 20 0 EHADRM C[C@@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001593667287 996056808 /nfs/dbraw/zinc/05/68/08/996056808.db2.gz MSNCEHJZCQTVEY-SECBINFHSA-N -1 0 337.347 3.782 20 0 EHADRM C[C@H](Sc1nc2ccc(Cl)cc2o1)C(=O)C(C)(C)C(=O)[O-] ZINC001593680271 996107730 /nfs/dbraw/zinc/10/77/30/996107730.db2.gz YYQIGTHEAOHYMN-ZETCQYMHSA-N -1 0 327.789 3.642 20 0 EHADRM C[C@H](c1c(F)cccc1F)N1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001593686348 996122647 /nfs/dbraw/zinc/12/26/47/996122647.db2.gz KDUFRRKCIPWHSV-LLVKDONJSA-N -1 0 333.334 3.619 20 0 EHADRM C[C@@H](c1ccc(C(=O)[O-])o1)S(=O)(=O)c1ccc(Cl)cc1Cl ZINC001593690176 996135369 /nfs/dbraw/zinc/13/53/69/996135369.db2.gz PRQWWXQPXPRYPR-ZETCQYMHSA-N -1 0 349.191 3.820 20 0 EHADRM C[C@@H](c1ccc(F)c(F)c1)N(C)c1ncc(C(=O)[O-])cc1Cl ZINC001593694238 996149134 /nfs/dbraw/zinc/14/91/34/996149134.db2.gz UZOAEEPCUDDJPW-QMMMGPOBSA-N -1 0 326.730 3.909 20 0 EHADRM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001593709748 996206276 /nfs/dbraw/zinc/20/62/76/996206276.db2.gz CSQKAJJPTHERLS-OLMNPRSZSA-N -1 0 344.455 3.813 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(C(=O)c1ccc(C(=O)[O-])[nH]1)C1CC1 ZINC001593713328 996220201 /nfs/dbraw/zinc/22/02/01/996220201.db2.gz LRGTUFGYQPKHLX-JTQLQIEISA-N -1 0 332.787 3.732 20 0 EHADRM C[C@@H](c1ccccc1)c1ccc(OC(=O)c2cc(C(=O)[O-])on2)cc1 ZINC001593714061 996227680 /nfs/dbraw/zinc/22/76/80/996227680.db2.gz RSFMZTKATUZSKW-LBPRGKRZSA-N -1 0 337.331 3.744 20 0 EHADRM C[C@@H](c1ccccc1)n1cnnc1SCc1csc(C(=O)[O-])c1 ZINC001593714196 996228790 /nfs/dbraw/zinc/22/87/90/996228790.db2.gz WCUAYMYVUQQDAX-NSHDSACASA-N -1 0 345.449 3.939 20 0 EHADRM C[C@@H](c1nc(C(=O)[O-])co1)N(C)Cc1cccc(C(F)(F)F)c1 ZINC001593724437 996266332 /nfs/dbraw/zinc/26/63/32/996266332.db2.gz GUSAMBQQOPPAOB-VIFPVBQESA-N -1 0 328.290 3.585 20 0 EHADRM C[C@H](c1ncc(C(=O)[O-])s1)N1CCc2sc(Cl)cc2C1 ZINC001593738139 996343669 /nfs/dbraw/zinc/34/36/69/996343669.db2.gz XFHMDZJMJGOPTF-SSDOTTSWSA-N -1 0 328.846 3.676 20 0 EHADRM C[C@@]1(C(=O)N2C[C@@H](C(=O)[O-])Cc3ccccc32)CCCc2ccccc21 ZINC001593745662 996375536 /nfs/dbraw/zinc/37/55/36/996375536.db2.gz WUGYMWMJHCCIAP-HTAPYJJXSA-N -1 0 349.430 3.571 20 0 EHADRM CCCS(=O)(=O)[N-][C@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000180702235 1016027842 /nfs/dbraw/zinc/02/78/42/1016027842.db2.gz VKGSKTUQWXWRMO-SNVBAGLBSA-N -1 0 349.296 3.638 20 0 EHADRM CC1(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)CCCCC1 ZINC001593749968 996392295 /nfs/dbraw/zinc/39/22/95/996392295.db2.gz UZMMYLCTXACOBX-JKSUJKDBSA-N -1 0 349.858 3.937 20 0 EHADRM C[C@@]1(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CCc2ccccc2C1 ZINC001593760507 996419370 /nfs/dbraw/zinc/41/93/70/996419370.db2.gz ZZXDDSCYYPJGHL-LJQANCHMSA-N -1 0 345.345 3.797 20 0 EHADRM CC[C@@H](C)CS(=O)(=O)[N-][C@H](c1c(F)cccc1F)C(F)(F)F ZINC000180759692 1016038390 /nfs/dbraw/zinc/03/83/90/1016038390.db2.gz CJSYIBDSRSXSGL-PRHODGIISA-N -1 0 345.333 3.534 20 0 EHADRM CC1(C)C(C)(C)C1(C)C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001593825970 996570730 /nfs/dbraw/zinc/57/07/30/996570730.db2.gz ORAOBEWEAGUTNA-HNNXBMFYSA-N -1 0 343.467 3.993 20 0 EHADRM CC1(C)C(c2cc(NC(=O)c3ccccc3C(=O)[O-])n[nH]2)C1(C)C ZINC001593838223 996597535 /nfs/dbraw/zinc/59/75/35/996597535.db2.gz STOPZTWVRNNGBF-UHFFFAOYSA-N -1 0 327.384 3.510 20 0 EHADRM CC1(C)[C@H](c2cccc(F)c2)CCN1C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001593838245 996598137 /nfs/dbraw/zinc/59/81/37/996598137.db2.gz UKBOQEYMOZTTBM-BBWFWOEESA-N -1 0 347.430 3.811 20 0 EHADRM CC1(C)C[C@H](C(=O)O[C@@H]2CCCc3cc(C(=O)[O-])ccc32)CCO1 ZINC001593848072 996617556 /nfs/dbraw/zinc/61/75/56/996617556.db2.gz HJFMUGKZBSFZSE-GDBMZVCRSA-N -1 0 332.396 3.511 20 0 EHADRM CC1(C)C[C@@H](C(=O)Oc2cccc3c(CC(=O)[O-])cccc23)CCO1 ZINC001593848102 996617892 /nfs/dbraw/zinc/61/78/92/996617892.db2.gz IILDNFYLRCPTSY-AWEZNQCLSA-N -1 0 342.391 3.578 20 0 EHADRM CC1(C)C[C@]1(CNC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001593864620 996667838 /nfs/dbraw/zinc/66/78/38/996667838.db2.gz AGGNLTHEIZSWEI-FQEVSTJZSA-N -1 0 338.407 3.874 20 0 EHADRM CC1(C)C[C@]1(CNC(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001593866193 996673094 /nfs/dbraw/zinc/67/30/94/996673094.db2.gz ZGSZYHQYGZLTEZ-FQEVSTJZSA-N -1 0 338.407 3.874 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2O)cc1 ZINC000442849318 1016057354 /nfs/dbraw/zinc/05/73/54/1016057354.db2.gz GQHKHAAOXFUNCW-UHFFFAOYSA-N -1 0 349.452 3.889 20 0 EHADRM CC1(C)CCC[C@@](NC(=O)c2cc3c(s2)CCCC3)(C(=O)[O-])C1 ZINC001593893008 996745273 /nfs/dbraw/zinc/74/52/73/996745273.db2.gz VJDNXJKIYJATKK-SFHVURJKSA-N -1 0 335.469 3.780 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)NCC[C@@H]2CCCC2(C)C)C1 ZINC001593903407 996773454 /nfs/dbraw/zinc/77/34/54/996773454.db2.gz SNLHVJGEKURJEM-GJZGRUSLSA-N -1 0 338.492 3.735 20 0 EHADRM CC1(C)CCCC[C@@H]1CC(=O)N(CCc1ccccc1)CC(=O)[O-] ZINC001593905671 996788622 /nfs/dbraw/zinc/78/86/22/996788622.db2.gz WVEYUSNJQWPFQL-QGZVFWFLSA-N -1 0 331.456 3.749 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC001599379608 996811243 /nfs/dbraw/zinc/81/12/43/996811243.db2.gz SGSLVYLVMHEDGQ-UHFFFAOYSA-N -1 0 341.146 3.919 20 0 EHADRM CC1(C)CCc2ccccc2[C@@H](NC(=O)N[C@@H]2CC=C(C(=O)[O-])C2)C1 ZINC001593916459 996819096 /nfs/dbraw/zinc/81/90/96/996819096.db2.gz SGCXZSCNFQLGDA-WBVHZDCISA-N -1 0 342.439 3.563 20 0 EHADRM COC[C@@H](NCc1ccc(C(=O)[O-])cc1F)c1ccc(Cl)cc1 ZINC001599177904 996886930 /nfs/dbraw/zinc/88/69/30/996886930.db2.gz UUSMQVXKUNFQSV-MRXNPFEDSA-N -1 0 337.778 3.655 20 0 EHADRM CC1(C)CN(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)C1(C)C ZINC001593934918 996904657 /nfs/dbraw/zinc/90/46/57/996904657.db2.gz QHRVMTXFYKQAOM-UHFFFAOYSA-N -1 0 328.771 3.830 20 0 EHADRM COCc1cc(Cl)ccc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001599282616 996916946 /nfs/dbraw/zinc/91/69/46/996916946.db2.gz YHKZQUPIISJHCC-UHFFFAOYSA-N -1 0 347.798 3.756 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)Cc2ccccc2Cl)c1 ZINC001599489964 996919840 /nfs/dbraw/zinc/91/98/40/996919840.db2.gz QNQACTLBZIUSND-NSHDSACASA-N -1 0 347.798 3.864 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)c1F ZINC001599490112 996923977 /nfs/dbraw/zinc/92/39/77/996923977.db2.gz SDVLJPNOWYUCNZ-WCQYABFASA-N -1 0 335.375 3.709 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2ccc(Cl)cc2F)c1F ZINC001599490425 996928857 /nfs/dbraw/zinc/92/88/57/996928857.db2.gz QFJVUCFGLURNIW-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM COCc1cc(NC(=O)/C=C(\C)c2ccccc2C)cc(C(=O)[O-])c1 ZINC001599284371 996949559 /nfs/dbraw/zinc/94/95/59/996949559.db2.gz RXKUNWFMPCAZDA-RIYZIHGNSA-N -1 0 339.391 3.882 20 0 EHADRM COCc1cc(NC(=O)NC[C@H]2CCCC(C)(C)C2)cc(C(=O)[O-])c1 ZINC001599287563 997006675 /nfs/dbraw/zinc/00/66/75/997006675.db2.gz QDZPEUYQUKJDIY-ZDUSSCGKSA-N -1 0 348.443 3.869 20 0 EHADRM COCc1cc(NC(=O)N[C@@H]2CCCC(C)(C)C2)cc(C(=O)[O-])c1 ZINC001599287918 997012697 /nfs/dbraw/zinc/01/26/97/997012697.db2.gz VHNKSPVDZGZMRM-CQSZACIVSA-N -1 0 334.416 3.622 20 0 EHADRM CC(C)c1cc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)no1 ZINC000275132626 1016085823 /nfs/dbraw/zinc/08/58/23/1016085823.db2.gz VSNZYUBDCCTMRE-UHFFFAOYSA-N -1 0 348.346 3.759 20 0 EHADRM COc1cc(C)c(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)c(C)c1C ZINC001599391412 997044243 /nfs/dbraw/zinc/04/42/43/997044243.db2.gz VLKXVUGOZVVJSG-VURMDHGXSA-N -1 0 329.352 3.564 20 0 EHADRM COc1cc(C)ccc1NC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC001599395300 997114166 /nfs/dbraw/zinc/11/41/66/997114166.db2.gz WRJACRGKHJPXKX-GFCCVEGCSA-N -1 0 345.420 3.821 20 0 EHADRM COCc1ccc(NCc2c3ccccc3[nH]c2C(=O)[O-])cc1OC ZINC001599294960 997124362 /nfs/dbraw/zinc/12/43/62/997124362.db2.gz UAJHMFRKRNMTFK-UHFFFAOYSA-N -1 0 340.379 3.633 20 0 EHADRM CC1(C)Cc2cccc(CNCc3ccc(C(=O)[O-])cc3F)c2O1 ZINC001593969569 997138541 /nfs/dbraw/zinc/13/85/41/997138541.db2.gz ZBADGEHHDYRBCM-UHFFFAOYSA-N -1 0 329.371 3.527 20 0 EHADRM COc1ccc(C(=O)[O-])c2c1CN([C@H]1CCc3c1cccc3F)CC2 ZINC001599502236 997145568 /nfs/dbraw/zinc/14/55/68/997145568.db2.gz YLILEBIGHVMXLS-SFHVURJKSA-N -1 0 341.382 3.578 20 0 EHADRM COCc1ccccc1C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001599297658 997174570 /nfs/dbraw/zinc/17/45/70/997174570.db2.gz MZFCEXQGRNAQJJ-UHFFFAOYSA-N -1 0 337.734 3.576 20 0 EHADRM COc1ccc(C(=O)O[C@H]2CCCc3cc(C(=O)[O-])ccc32)c(F)c1 ZINC001599504068 997180794 /nfs/dbraw/zinc/18/07/94/997180794.db2.gz QSXKEPPEAYXWNA-KRWDZBQOSA-N -1 0 344.338 3.767 20 0 EHADRM COc1ccc(/C(C)=C\C(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC001599505642 997206756 /nfs/dbraw/zinc/20/67/56/997206756.db2.gz URDUVQFDQMNVGQ-YPKPFQOOSA-N -1 0 339.391 3.754 20 0 EHADRM COC(=O)c1[nH]c2ccccc2c1CNc1ccc(C)c(C(=O)[O-])c1 ZINC001598909569 997333632 /nfs/dbraw/zinc/33/36/32/997333632.db2.gz JDUICLHINRCTPT-UHFFFAOYSA-N -1 0 338.363 3.573 20 0 EHADRM COc1ccc([C@@H](Cc2ccccc2)Nc2nccc(C(=O)[O-])n2)cc1 ZINC001599516415 997395194 /nfs/dbraw/zinc/39/51/94/997395194.db2.gz MTSZKKXUMNJKEX-GOSISDBHSA-N -1 0 349.390 3.579 20 0 EHADRM CON(C(=O)c1ccc(C(C)(C)C)c(Cl)c1)[C@@H](C)CC(=O)[O-] ZINC001599313305 997454188 /nfs/dbraw/zinc/45/41/88/997454188.db2.gz ZMTHSTASYKSJIE-JTQLQIEISA-N -1 0 327.808 3.504 20 0 EHADRM CON(C(=O)c1sc2cc(F)ccc2c1Cl)[C@H](C)CC(=O)[O-] ZINC001599314309 997470882 /nfs/dbraw/zinc/47/08/82/997470882.db2.gz SMWLSIFGTNCOHX-SSDOTTSWSA-N -1 0 345.779 3.561 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)NC[C@@]1(C)C[C@H]2C[C@H]2C1)c1ccccc1 ZINC001594016751 997502327 /nfs/dbraw/zinc/50/23/27/997502327.db2.gz FFIKFLIWNYMMEA-ASKKUZCQSA-N -1 0 344.455 3.574 20 0 EHADRM CON(C[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC001599317958 997532274 /nfs/dbraw/zinc/53/22/74/997532274.db2.gz WZLRDJZGVYNALP-MNOVXSKESA-N -1 0 326.418 3.668 20 0 EHADRM COc1cc(COC(=O)c2ccc(C(=O)[O-])cc2F)ccc1Cl ZINC001599417575 997537079 /nfs/dbraw/zinc/53/70/79/997537079.db2.gz GYVCPWFQTWJRKB-UHFFFAOYSA-N -1 0 338.718 3.543 20 0 EHADRM COc1ccc([C@@H](NC(=O)c2ccc(C)c3ccccc23)C(=O)[O-])cc1 ZINC001599524703 997538883 /nfs/dbraw/zinc/53/88/83/997538883.db2.gz UUVVCQOPETZHFY-LJQANCHMSA-N -1 0 349.386 3.713 20 0 EHADRM CO[C@@H]1CCC[C@H](CC(=O)Nc2ccc(OC(C)C)cc2C(=O)[O-])C1 ZINC001599111147 997570990 /nfs/dbraw/zinc/57/09/90/997570990.db2.gz ARWFKXGDPZRDEQ-UONOGXRCSA-N -1 0 349.427 3.706 20 0 EHADRM CO[C@@H]1CCC[C@@H](CC(=O)Nc2cccc(Cl)c2C(=O)[O-])C1 ZINC001599112057 997587574 /nfs/dbraw/zinc/58/75/74/997587574.db2.gz JABAPHIZLSHJMC-GHMZBOCLSA-N -1 0 325.792 3.572 20 0 EHADRM CO[C@@H]1CCC[C@H](CC(=O)Oc2ccc(Cl)cc2C(=O)[O-])C1 ZINC001599112852 997600476 /nfs/dbraw/zinc/60/04/76/997600476.db2.gz PKRMUVUAQOWRTR-CMPLNLGQSA-N -1 0 326.776 3.539 20 0 EHADRM COCCC1(NC(=O)Nc2cccc3cc(C(=O)[O-])sc32)CCC1 ZINC001599219564 997643428 /nfs/dbraw/zinc/64/34/28/997643428.db2.gz DVGMXFPUEFDCCI-UHFFFAOYSA-N -1 0 348.424 3.680 20 0 EHADRM C[C@]1(Cc2ccccc2F)CCCN1C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001594041288 997657769 /nfs/dbraw/zinc/65/77/69/997657769.db2.gz FDBSWFQAPCSKRG-AUSJPIAWSA-N -1 0 347.430 3.640 20 0 EHADRM COCCCC[C@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001599223417 997712257 /nfs/dbraw/zinc/71/22/57/997712257.db2.gz LCPUDVZWMFKSAD-KURKYZTESA-N -1 0 347.455 3.552 20 0 EHADRM COc1c(C)cc(Cl)cc1NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001599331338 997754645 /nfs/dbraw/zinc/75/46/45/997754645.db2.gz LJXZSLJYGWJDEP-GQCTYLIASA-N -1 0 335.743 3.600 20 0 EHADRM C[C@@]1(NC(=O)c2ccnc3cc(Cl)ccc32)CCCC[C@H]1C(=O)[O-] ZINC001594055710 997789710 /nfs/dbraw/zinc/78/97/10/997789710.db2.gz IMVCTUXWFLBMFH-KBXCAEBGSA-N -1 0 346.814 3.652 20 0 EHADRM COc1cc(NC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)c(C)cc1C ZINC001599432941 997791697 /nfs/dbraw/zinc/79/16/97/997791697.db2.gz BPGYOBGVEBJPJD-YWZLYKJASA-N -1 0 339.391 3.509 20 0 EHADRM COc1cc(NC(=O)[C@@H](C)c2ccc(Cl)cc2)ccc1C(=O)[O-] ZINC001599433205 997796535 /nfs/dbraw/zinc/79/65/35/997796535.db2.gz JMBDHMQZTGLVGA-JTQLQIEISA-N -1 0 333.771 3.789 20 0 EHADRM C[C@]1(NC(=O)c2coc3ccc(Cl)cc32)CCCC[C@H]1C(=O)[O-] ZINC001594057240 997808917 /nfs/dbraw/zinc/80/89/17/997808917.db2.gz YOYRSYJKVTUKHQ-GUYCJALGSA-N -1 0 335.787 3.850 20 0 EHADRM COC(=O)c1cc(CNc2cccc(C(C)(F)F)c2)cc(C(=O)[O-])c1 ZINC001598933347 997812835 /nfs/dbraw/zinc/81/28/35/997812835.db2.gz IUNZAKIAIXLRRU-UHFFFAOYSA-N -1 0 349.333 3.895 20 0 EHADRM Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1ccccc1C ZINC000340041109 1016160294 /nfs/dbraw/zinc/16/02/94/1016160294.db2.gz LOAMXWMKQTUBNF-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM COc1cc(NC(=O)NC(C)(C)c2ccccc2F)ccc1C(=O)[O-] ZINC001599436343 997853944 /nfs/dbraw/zinc/85/39/44/997853944.db2.gz ACMBIMQIIXXLDI-UHFFFAOYSA-N -1 0 346.358 3.589 20 0 EHADRM COc1c(NC(=O)C/C=C/c2ccc(C)cc2)cccc1C(=O)[O-] ZINC001599336994 997854346 /nfs/dbraw/zinc/85/43/46/997854346.db2.gz CMCIADSHMDCKRN-HWKANZROSA-N -1 0 325.364 3.744 20 0 EHADRM COc1c(NC(=O)NC[C@]2(C)CC[C@H](C)C2(C)C)cccc1C(=O)[O-] ZINC001599339393 997895130 /nfs/dbraw/zinc/89/51/30/997895130.db2.gz PMVOHJNMBRVQPQ-BUXKBTBVSA-N -1 0 348.443 3.977 20 0 EHADRM COc1c(NC(=O)N[C@@H](C)C2CCCCCC2)cccc1C(=O)[O-] ZINC001599339689 997901339 /nfs/dbraw/zinc/90/13/39/997901339.db2.gz VDDMDDMADQKWFQ-LBPRGKRZSA-N -1 0 334.416 3.874 20 0 EHADRM CC1(c2ccccc2)CC(NC(=O)CC2(CC(=O)[O-])CCCC2)C1 ZINC001594076108 997944708 /nfs/dbraw/zinc/94/47/08/997944708.db2.gz CMQWAMRCDCMANE-UHFFFAOYSA-N -1 0 329.440 3.648 20 0 EHADRM CC1(c2ccccc2)CCC(NC(=O)N2CCC[C@@H]2CC(=O)[O-])CC1 ZINC001594076915 997950546 /nfs/dbraw/zinc/95/05/46/997950546.db2.gz QPMJYVVIICQAJJ-OHTSDLOESA-N -1 0 344.455 3.536 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN1C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001594079682 997973006 /nfs/dbraw/zinc/97/30/06/997973006.db2.gz NDRLJJKJALHOOC-IBGZPJMESA-N -1 0 329.440 3.949 20 0 EHADRM COc1c(NC[C@H]2CCCC[C@H]2c2ccccc2)ncnc1C(=O)[O-] ZINC001599344610 997980718 /nfs/dbraw/zinc/98/07/18/997980718.db2.gz LJOGAGKYZUBVHO-CABCVRRESA-N -1 0 341.411 3.569 20 0 EHADRM COc1cc(NCc2cc(C(=O)[O-])c(C)o2)c(Cl)c(OC)c1 ZINC001599444380 997983896 /nfs/dbraw/zinc/98/38/96/997983896.db2.gz TXDYXGSHNVRILV-UHFFFAOYSA-N -1 0 325.748 3.569 20 0 EHADRM COc1cc(NC(=S)Nc2cc(C)cc(C)c2)ccc1C(=O)[O-] ZINC001599444561 997986285 /nfs/dbraw/zinc/98/62/85/997986285.db2.gz LYNLNBAGWVRSOK-UHFFFAOYSA-N -1 0 330.409 3.819 20 0 EHADRM COc1ccc(C[C@H](C)C(=O)Nc2cc(C)c(C(=O)[O-])s2)cc1 ZINC001599550341 997996118 /nfs/dbraw/zinc/99/61/18/997996118.db2.gz MFXNNXQEUVLHLL-NSHDSACASA-N -1 0 333.409 3.581 20 0 EHADRM COc1cc(OC(=O)C2(c3ccccc3)CCCC2)ccc1C(=O)[O-] ZINC001599445896 998008658 /nfs/dbraw/zinc/00/86/58/998008658.db2.gz JZZMLEJSWCXPAA-UHFFFAOYSA-N -1 0 340.375 3.811 20 0 EHADRM Cc1cc([C@@H](C)N2CCC(C)=C(Br)C2)oc1C(=O)[O-] ZINC001594090177 998035423 /nfs/dbraw/zinc/03/54/23/998035423.db2.gz IAWMOYINHQVVMI-SNVBAGLBSA-N -1 0 328.206 3.722 20 0 EHADRM CC1=C(C(=O)[O-])[C@@H](c2ccc(-c3ccccc3)cc2)NC(=O)N1C1CC1 ZINC001594095254 998063118 /nfs/dbraw/zinc/06/31/18/998063118.db2.gz GROBLDQWCXTZPL-LJQANCHMSA-N -1 0 348.402 3.941 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000683324789 1016186992 /nfs/dbraw/zinc/18/69/92/1016186992.db2.gz ONFWUNADPMGAHV-CQSZACIVSA-N -1 0 336.391 3.791 20 0 EHADRM COc1cc(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)ccc1Cl ZINC001599355121 998165967 /nfs/dbraw/zinc/16/59/67/998165967.db2.gz VSLFJKMDMPRJJF-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM CC1=Nc2ccccc2C12CCN(C(=O)c1ccc(C(=O)[O-])cc1)CC2 ZINC001594120420 998269406 /nfs/dbraw/zinc/26/94/06/998269406.db2.gz IQTQCPDADGDNFU-UHFFFAOYSA-N -1 0 348.402 3.665 20 0 EHADRM COC(=O)c1cc2cc(N[C@@H]3C[C@@H]4C[C@@H](C(=O)[O-])C[C@H]34)ccc2s1 ZINC001598957509 998269783 /nfs/dbraw/zinc/26/97/83/998269783.db2.gz GUSFIOMGOHLROW-PCGAWMICSA-N -1 0 345.420 3.599 20 0 EHADRM COc1ccc(CNC(=O)CCC2CCCCCC2)cc1C(=O)[O-] ZINC001599565124 998271637 /nfs/dbraw/zinc/27/16/37/998271637.db2.gz GXJZBHWXIRQOME-UHFFFAOYSA-N -1 0 333.428 3.760 20 0 EHADRM COCCOc1cccc(N[C@@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC001599260538 998378386 /nfs/dbraw/zinc/37/83/86/998378386.db2.gz FOGUHRSASUKEBN-MRXNPFEDSA-N -1 0 335.787 3.603 20 0 EHADRM C[C@@H]1[C@@H](C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC001594137105 998387835 /nfs/dbraw/zinc/38/78/35/998387835.db2.gz VMTIBYXQACXVEG-VFTKVEQISA-N -1 0 335.403 3.863 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](c1ccccc1)C1CC1 ZINC001599369577 998388173 /nfs/dbraw/zinc/38/81/73/998388173.db2.gz BLGMXFPVVVRRDA-KRWDZBQOSA-N -1 0 325.364 3.526 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@]1(C)CCCc2ccccc21 ZINC001599370240 998398697 /nfs/dbraw/zinc/39/86/97/998398697.db2.gz HIWTUNCGYUTATA-HXUWFJFHSA-N -1 0 339.391 3.626 20 0 EHADRM COc1ccc(CNc2ccc(SC)c(C(=O)[O-])c2)cc1OC ZINC001599573607 998406775 /nfs/dbraw/zinc/40/67/75/998406775.db2.gz HCQOWWUJJKORBJ-UHFFFAOYSA-N -1 0 333.409 3.736 20 0 EHADRM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)CCCCC(C)(C)C ZINC001598966552 998432283 /nfs/dbraw/zinc/43/22/83/998432283.db2.gz FBGVEPZFQKOTIH-UHFFFAOYSA-N -1 0 335.400 3.716 20 0 EHADRM COc1ccc(-c2nc3ccc(C(=O)[O-])cc3n2C)cc1OC(F)F ZINC001599470488 998442289 /nfs/dbraw/zinc/44/22/89/998442289.db2.gz CWZUPXMSQULDKF-UHFFFAOYSA-N -1 0 348.305 3.549 20 0 EHADRM COCCc1nc2cc(N[C@@H](C)CC(C)(C)CC(=O)[O-])ccc2o1 ZINC001599265219 998456628 /nfs/dbraw/zinc/45/66/28/998456628.db2.gz JTYOQXDSWWUPNM-LBPRGKRZSA-N -1 0 334.416 3.708 20 0 EHADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 ZINC001594145235 998473433 /nfs/dbraw/zinc/47/34/33/998473433.db2.gz NVFDOCVUDOKVNA-CEOBUWQNSA-N -1 0 333.472 3.695 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=S)Nc1cccc(C)c1C ZINC001599375332 998475893 /nfs/dbraw/zinc/47/58/93/998475893.db2.gz KCALWAZPCANHJK-UHFFFAOYSA-N -1 0 330.409 3.819 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)CSc1cc(C)ccc1C ZINC001599378816 998534425 /nfs/dbraw/zinc/53/44/25/998534425.db2.gz PZDPPAHNUSKBPR-UHFFFAOYSA-N -1 0 346.404 3.708 20 0 EHADRM COC(=O)c1cccc([C@H](SCc2ccccc2C)C(=O)[O-])c1 ZINC001598992836 998753042 /nfs/dbraw/zinc/75/30/42/998753042.db2.gz JRBQGRWKPDXZNX-INIZCTEOSA-N -1 0 330.405 3.841 20 0 EHADRM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1C(=O)c1cc2cccc(Cl)c2o1 ZINC001594206849 998795360 /nfs/dbraw/zinc/79/53/60/998795360.db2.gz SPCOQKFJASNGKV-NXEZZACHSA-N -1 0 335.787 3.800 20 0 EHADRM COC(=O)c1cccc(Cl)c1CSc1ncccc1C(=O)[O-] ZINC001598999817 998814087 /nfs/dbraw/zinc/81/40/87/998814087.db2.gz OHTODOYQYQBVFD-UHFFFAOYSA-N -1 0 337.784 3.512 20 0 EHADRM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001594213115 998822299 /nfs/dbraw/zinc/82/22/99/998822299.db2.gz AVJXDXBDAUCZAE-OILHZVAOSA-N -1 0 343.467 3.918 20 0 EHADRM C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001594214578 998826985 /nfs/dbraw/zinc/82/69/85/998826985.db2.gz LOCILKZWHZPKGG-SCZZXKLOSA-N -1 0 348.296 3.719 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)C1C[C@H](C)C[C@@H](C)C1)C(=O)[O-] ZINC001594219777 998844638 /nfs/dbraw/zinc/84/46/38/998844638.db2.gz QJRQDACUFBTZAA-OAGGEKHMSA-N -1 0 331.456 3.808 20 0 EHADRM C[C@@H]1C[C@H](CC(=O)N(C)c2ccc(OCC(=O)[O-])cc2)CC(C)(C)C1 ZINC001594232499 998885366 /nfs/dbraw/zinc/88/53/66/998885366.db2.gz LPVAYVALJAZKOE-HUUCEWRRSA-N -1 0 347.455 3.965 20 0 EHADRM C[C@H]1C[C@@H](CNC(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CCO1 ZINC001594239087 998910658 /nfs/dbraw/zinc/91/06/58/998910658.db2.gz LMADICXJDKHVJV-QWRGUYRKSA-N -1 0 348.424 3.536 20 0 EHADRM CO[C@H](C(=O)N1CCCc2ccc(C)c(C(=O)[O-])c21)C1CCCCC1 ZINC001599023375 998997879 /nfs/dbraw/zinc/99/78/79/998997879.db2.gz GPAMOVJHTVAKLH-SFHVURJKSA-N -1 0 345.439 3.568 20 0 EHADRM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccccc1C(=O)[O-] ZINC001594266410 999033340 /nfs/dbraw/zinc/03/33/40/999033340.db2.gz OEJVJFVRSQRQTB-OCCSQVGLSA-N -1 0 327.355 3.542 20 0 EHADRM C[C@@H]1C[C@H](c2cccnc2)N(C(=O)Nc2cccc(F)c2C(=O)[O-])C1 ZINC001594271292 999049687 /nfs/dbraw/zinc/04/96/87/999049687.db2.gz IEBZFTVVAPJJKL-IAQYHMDHSA-N -1 0 343.358 3.534 20 0 EHADRM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)N(Cc1ccccc1)C(C)(C)C(=O)[O-] ZINC001594287178 999111175 /nfs/dbraw/zinc/11/11/75/999111175.db2.gz UZTUETGXJARGDQ-MWQQHZPXSA-N -1 0 329.440 3.561 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)C1 ZINC001594291023 999121298 /nfs/dbraw/zinc/12/12/98/999121298.db2.gz CFBMLLYYXFAWNM-RHSMWYFYSA-N -1 0 329.440 3.602 20 0 EHADRM C[C@@H]1CC=C(C(=O)N[C@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])CC1 ZINC001594291890 999125813 /nfs/dbraw/zinc/12/58/13/999125813.db2.gz HPDUUUZHKIITCJ-LSBZLQRGSA-N -1 0 341.451 3.812 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)Nc2cc(C(F)(F)F)cnc2C(=O)[O-])C[C@H]1C ZINC001594295964 999139874 /nfs/dbraw/zinc/13/98/74/999139874.db2.gz LJYAXNXIWLIPBY-BBBLOLIVSA-N -1 0 344.333 3.809 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N(CC(=O)[O-])c1ccccc1 ZINC001594299122 999154479 /nfs/dbraw/zinc/15/44/79/999154479.db2.gz SFTMDNPPACAPGJ-NJAFHUGGSA-N -1 0 347.455 3.582 20 0 EHADRM C[C@@H]1CC[C@@H](CNC(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC001594308559 999191368 /nfs/dbraw/zinc/19/13/68/999191368.db2.gz MBTQTHKGQLYNSO-NXEZZACHSA-N -1 0 342.342 3.544 20 0 EHADRM C[C@@H]1CC[C@H](CNC(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC001594308562 999191417 /nfs/dbraw/zinc/19/14/17/999191417.db2.gz MBTQTHKGQLYNSO-ZJUUUORDSA-N -1 0 342.342 3.544 20 0 EHADRM C[C@H]1CC[C@](NCc2noc3c2CCCC3)(C(=O)[O-])c2ccccc21 ZINC001594321886 999238851 /nfs/dbraw/zinc/23/88/51/999238851.db2.gz XLSUTTCHKJVUQF-RNODOKPDSA-N -1 0 340.423 3.520 20 0 EHADRM C[C@H]1CC[C@H](Nc2cccc(CC(=O)[O-])c2)CN1C(=O)OC(C)(C)C ZINC001594327339 999258226 /nfs/dbraw/zinc/25/82/26/999258226.db2.gz WOOIZOKYRWPXEH-BBRMVZONSA-N -1 0 348.443 3.514 20 0 EHADRM C[C@H]1CCC[C@H](NC(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)CC1 ZINC001594352212 999332882 /nfs/dbraw/zinc/33/28/82/999332882.db2.gz AACRNERBRFZVED-QWRGUYRKSA-N -1 0 339.461 3.596 20 0 EHADRM C[C@H]1CCC[C@@H](NC(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC001594352809 999336255 /nfs/dbraw/zinc/33/62/55/999336255.db2.gz QUPOCLKVIUBGSX-DZGCQCFKSA-N -1 0 345.443 3.685 20 0 EHADRM C[C@@H]1CCC[C@H](OCCCCCC(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])C1 ZINC001594354216 999337926 /nfs/dbraw/zinc/33/79/26/999337926.db2.gz AODPSOWMBNMGPX-LTIDMASMSA-N -1 0 339.476 3.512 20 0 EHADRM C[C@H]1CCC[C@@H]1CC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC001594356966 999349633 /nfs/dbraw/zinc/34/96/33/999349633.db2.gz HABGFNBNGUUAFJ-QWHCGFSZSA-N -1 0 340.423 3.577 20 0 EHADRM C[C@@H]1CCCC[C@@H]1NC(=S)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001594371595 999401809 /nfs/dbraw/zinc/40/18/09/999401809.db2.gz WZPHCBWBVHLADZ-PELKAZGASA-N -1 0 328.384 3.528 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc(Cl)cc3ccccc32)[C@@H](C(=O)[O-])C1 ZINC001594406806 999524134 /nfs/dbraw/zinc/52/41/34/999524134.db2.gz FZGCSZVMYYFURV-BDJLRTHQSA-N -1 0 331.799 3.819 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])ccc2Cl)c2c(O)cccc21 ZINC001594407215 999526634 /nfs/dbraw/zinc/52/66/34/999526634.db2.gz PLKKNBNOGDESLM-SNVBAGLBSA-N -1 0 345.782 3.898 20 0 EHADRM CC1CCN(c2ccc(NCc3cc(C(=O)[O-])n(C)c3)cc2)CC1 ZINC001594435157 999615547 /nfs/dbraw/zinc/61/55/47/999615547.db2.gz QPMUKUQYOOQJHJ-UHFFFAOYSA-N -1 0 327.428 3.572 20 0 EHADRM C[C@H]1CCc2c(C(=O)Oc3ccc(CC(=O)[O-])cc3)csc2C1 ZINC001594442387 999628941 /nfs/dbraw/zinc/62/89/41/999628941.db2.gz RASZLNAAOKKJPH-NSHDSACASA-N -1 0 330.405 3.719 20 0 EHADRM C[C@H]1CCc2c(sc3ncnc(Nc4cc(C(=O)[O-])n(C)c4)c32)C1 ZINC001594445251 999636957 /nfs/dbraw/zinc/63/69/57/999636957.db2.gz HNCJODUYOUSPCO-VIFPVBQESA-N -1 0 342.424 3.596 20 0 EHADRM C[C@@H]1CCc2nc(C(=O)Nc3cc4ccccc4c(C(=O)[O-])c3)cn2C1 ZINC001594446815 999640241 /nfs/dbraw/zinc/64/02/41/999640241.db2.gz CHLINJHSWNYISE-GFCCVEGCSA-N -1 0 349.390 3.569 20 0 EHADRM C[C@@H]1CN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])CC(C)(C)C1 ZINC001594470030 999700051 /nfs/dbraw/zinc/70/00/51/999700051.db2.gz AAVRLUSZIYODOB-HOCLYGCPSA-N -1 0 346.471 3.916 20 0 EHADRM CC(C)[C@@H](CNC(=O)[C@@H](C)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000655573402 1016359398 /nfs/dbraw/zinc/35/93/98/1016359398.db2.gz REXZPEPUUPIOIU-VHSXEESVSA-N -1 0 332.227 3.570 20 0 EHADRM C[C@@H](NC(=O)CC[C@H](C)c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655575287 1016376012 /nfs/dbraw/zinc/37/60/12/1016376012.db2.gz IEGOQKQFRNJIGM-HDEZJCGLSA-N -1 0 331.456 3.822 20 0 EHADRM C[C@H](CC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1cccc(F)c1 ZINC000655579807 1016457872 /nfs/dbraw/zinc/45/78/72/1016457872.db2.gz YXRZTNQBLNJGTI-GUYJKWIASA-N -1 0 335.419 3.571 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655581055 1016464373 /nfs/dbraw/zinc/46/43/73/1016464373.db2.gz UOVLKVDZKOXBSV-UWWPHRKUSA-N -1 0 331.456 3.604 20 0 EHADRM C[C@@H](C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1cncnc1 ZINC000683380435 1016506763 /nfs/dbraw/zinc/50/67/63/1016506763.db2.gz JVZQJGQCSUIVHQ-ZCFIWIBFSA-N -1 0 346.601 3.885 20 0 EHADRM Cc1cnn(-c2ccccc2)c1[N-]S(=O)(=O)c1ccccc1Cl ZINC000084505139 1016586680 /nfs/dbraw/zinc/58/66/80/1016586680.db2.gz FAOOZSRWNKJYME-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM Cc1cc(Br)c(O)c(NC(=O)Cc2ccsc2)c1 ZINC000182919863 1032150100 /nfs/dbraw/zinc/15/01/00/1032150100.db2.gz MDWWUGNKGTXENH-UHFFFAOYSA-N -1 0 326.215 3.706 20 0 EHADRM O=C(Nc1ccc(OC2CCC2)c(F)c1)c1cc(F)c([O-])c(F)c1 ZINC000180121007 1016894260 /nfs/dbraw/zinc/89/42/60/1016894260.db2.gz BHKNKUZMPHWMGI-UHFFFAOYSA-N -1 0 337.297 3.993 20 0 EHADRM Cc1cc(Nc2cnc(F)c(Br)c2)ccc1C(=O)[O-] ZINC001211647734 1016919574 /nfs/dbraw/zinc/91/95/74/1016919574.db2.gz FXNLPBHXKSNWMC-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM Cc1ccc(C(=O)Nc2cc(Cl)cc(Br)c2[O-])n1C ZINC000340335335 1016959983 /nfs/dbraw/zinc/95/99/83/1016959983.db2.gz BFJPSHDEQRMLCE-UHFFFAOYSA-N -1 0 343.608 3.707 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N2CC[C@H](C(C)C)C2)s1 ZINC000471305417 1016970199 /nfs/dbraw/zinc/97/01/99/1016970199.db2.gz JIKFLKUTSHFSDY-LBPRGKRZSA-N -1 0 348.447 3.584 20 0 EHADRM CCN(C(=O)c1cc2cc(C(F)(F)F)ccc2s1)[C@@H](C)C(=O)[O-] ZINC000659769026 1016983974 /nfs/dbraw/zinc/98/39/74/1016983974.db2.gz URIJHEWCOSPEIJ-QMMMGPOBSA-N -1 0 345.342 3.855 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)N(C)CCC(=O)[O-])c1ccc(Cl)cc1 ZINC000414594883 1017001944 /nfs/dbraw/zinc/00/19/44/1017001944.db2.gz AFCWPRLMRDFPOE-ABAIWWIYSA-N -1 0 326.824 3.543 20 0 EHADRM C[C@@H](NC(=O)N(C)CCCC(=O)[O-])c1ccc(F)c2ccccc21 ZINC000414606873 1017006782 /nfs/dbraw/zinc/00/67/82/1017006782.db2.gz FREVAXBMFIXRQV-GFCCVEGCSA-N -1 0 332.375 3.546 20 0 EHADRM C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000183334902 1032163056 /nfs/dbraw/zinc/16/30/56/1032163056.db2.gz FIWWHBLDAQLGMN-QMMMGPOBSA-N -1 0 327.277 3.782 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)c1c[nH]cc1-c1ccc(F)cc1)C(=O)[O-] ZINC000449134088 1032227697 /nfs/dbraw/zinc/22/76/97/1032227697.db2.gz GVBFRRGYCSKGGC-INIZCTEOSA-N -1 0 346.402 3.830 20 0 EHADRM N=c1[n-]nc(-c2ccc(OC/C=C\c3ccc(Cl)cc3)cc2)o1 ZINC000461067025 1032234897 /nfs/dbraw/zinc/23/48/97/1032234897.db2.gz KNIWOOKCPRAXLF-UPHRSURJSA-N -1 0 327.771 3.895 20 0 EHADRM Cc1nccc(C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)n1 ZINC000127754352 1032238687 /nfs/dbraw/zinc/23/86/87/1032238687.db2.gz ADCXPYGJGANPTF-UHFFFAOYSA-N -1 0 332.574 3.703 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)NCCCCCC(=O)[O-] ZINC000414627259 1017078469 /nfs/dbraw/zinc/07/84/69/1017078469.db2.gz MQNRXHJCCGFNGA-NVXWUHKLSA-N -1 0 332.444 3.609 20 0 EHADRM [O-]c1cc(Cl)ccc1-c1nc([C@@H]2COc3ccccc3O2)no1 ZINC000321101714 1032268192 /nfs/dbraw/zinc/26/81/92/1032268192.db2.gz VJLYZPBKFQQNPX-AWEZNQCLSA-N -1 0 330.727 3.608 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2scnc2C2CC2)c1Cl ZINC000538299324 1032280586 /nfs/dbraw/zinc/28/05/86/1032280586.db2.gz XLLMAOLHWJDHNR-UHFFFAOYSA-N -1 0 328.846 3.783 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC000905005874 1032316785 /nfs/dbraw/zinc/31/67/85/1032316785.db2.gz JGESUSOGWJFIPB-DLBZAZTESA-N -1 0 339.391 3.698 20 0 EHADRM Cc1ccccc1CC(=O)Nc1n[nH]c(-c2cc3ccccc3o2)n1 ZINC000485131259 1032323434 /nfs/dbraw/zinc/32/34/34/1032323434.db2.gz FDEHZVDACKWFNC-UHFFFAOYSA-N -1 0 332.363 3.708 20 0 EHADRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ncc(Cl)cc1C ZINC000461198685 1032325121 /nfs/dbraw/zinc/32/51/21/1032325121.db2.gz PSKJHTCUNNRFEA-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cc(C)oc2C)c2ncccc12 ZINC000184923281 1032345167 /nfs/dbraw/zinc/34/51/67/1032345167.db2.gz IQKAZIKVIFGKCB-UHFFFAOYSA-N -1 0 346.408 3.644 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)ccc1-c1ccncc1 ZINC000905116150 1032349028 /nfs/dbraw/zinc/34/90/28/1032349028.db2.gz YENSINCWURCQIM-CVEARBPZSA-N -1 0 338.407 3.887 20 0 EHADRM CC(C)(C)c1nc(C(=O)N[C@@H](CC(=O)[O-])C2CCCCC2)cs1 ZINC000538504125 1032401487 /nfs/dbraw/zinc/40/14/87/1032401487.db2.gz DNJRAPHYOWYDIC-LBPRGKRZSA-N -1 0 338.473 3.594 20 0 EHADRM C[C@H](CCc1ccccc1)NS(=O)(=O)c1cccc(Cl)c1F ZINC000032401804 1032421082 /nfs/dbraw/zinc/42/10/82/1032421082.db2.gz PRAOGTSKLLTABD-GFCCVEGCSA-N -1 0 341.835 3.779 20 0 EHADRM Cn1ccc2c1cccc2[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000084920459 1032467548 /nfs/dbraw/zinc/46/75/48/1032467548.db2.gz REBKXBSYTWULCU-UHFFFAOYSA-N -1 0 326.377 3.725 20 0 EHADRM O=C([O-])CCCCCNC(=O)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000414632996 1017094211 /nfs/dbraw/zinc/09/42/11/1017094211.db2.gz ZMLCIHCKYXSLOR-SFHVURJKSA-N -1 0 344.455 3.883 20 0 EHADRM CC[C@@H]1C[C@@]1(NC(=O)NC1CCC(C(=O)[O-])CC1)c1cccc(C)c1 ZINC000414633456 1017096397 /nfs/dbraw/zinc/09/63/97/1017096397.db2.gz ZLSMOKBAUYYQLY-RNFLVTLCSA-N -1 0 344.455 3.563 20 0 EHADRM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@H](C)S[C@@H](C)C(=O)[O-] ZINC000601999342 1032586661 /nfs/dbraw/zinc/58/66/61/1032586661.db2.gz WEPCFYPXRHZYSR-DIECFANBSA-N -1 0 349.496 3.766 20 0 EHADRM CC(C)Sc1ccccc1NC(=O)[C@H](C)S[C@H](C)C(=O)[O-] ZINC000601998839 1032587365 /nfs/dbraw/zinc/58/73/65/1032587365.db2.gz IQKGFJQTCRGFKT-WDEREUQCSA-N -1 0 327.471 3.720 20 0 EHADRM CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1ccccc1C ZINC000592975273 1032620063 /nfs/dbraw/zinc/62/00/63/1032620063.db2.gz RGQLAJZEVNKKMK-UHFFFAOYSA-N -1 0 329.425 3.556 20 0 EHADRM CCn1c(-c2cccc3cccnc32)n[n-]c1=Nc1cccc(OC)c1 ZINC000460169204 1032641761 /nfs/dbraw/zinc/64/17/61/1032641761.db2.gz PSUQVYJYYRUQGG-UHFFFAOYSA-N -1 0 345.406 3.687 20 0 EHADRM Cc1cc(C)cc([C@H](C)NC(=O)C[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000592983470 1032653885 /nfs/dbraw/zinc/65/38/85/1032653885.db2.gz YAEAVZLOWHETIU-YJBOKZPZSA-N -1 0 325.408 3.739 20 0 EHADRM O=C([O-])C1(C(=O)N[C@H]2CCSc3ccc(F)cc32)CC2(CCC2)C1 ZINC000659120107 1017106086 /nfs/dbraw/zinc/10/60/86/1017106086.db2.gz YXHOKLRMQUDKNI-ZDUSSCGKSA-N -1 0 349.427 3.514 20 0 EHADRM CCC(C)(C)CS(=O)(=O)[N-][C@@H](c1ccc(C)o1)C(F)(F)F ZINC000625272889 1017151599 /nfs/dbraw/zinc/15/15/99/1017151599.db2.gz YAJLOOMTTMWWJC-NSHDSACASA-N -1 0 327.368 3.547 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)NCc1cccc(COC(C)(C)C)c1 ZINC000659121888 1017162036 /nfs/dbraw/zinc/16/20/36/1017162036.db2.gz MOEVPIJGAWJBEN-UHFFFAOYSA-N -1 0 345.395 3.531 20 0 EHADRM Cc1cc(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)ccc1OC(C)C ZINC000659122744 1017182093 /nfs/dbraw/zinc/18/20/93/1017182093.db2.gz PPZCPYWIEFAQHI-UHFFFAOYSA-N -1 0 331.412 3.756 20 0 EHADRM CC[C@@H]1CCCN1C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000530744498 1017195770 /nfs/dbraw/zinc/19/57/70/1017195770.db2.gz NHDURZMTJUHPBS-OAHLLOKOSA-N -1 0 327.428 3.716 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)NC[C@@H]2CC=CCC2)s1 ZINC000471362461 1017201871 /nfs/dbraw/zinc/20/18/71/1017201871.db2.gz NYDKNQJAUURCHM-GFCCVEGCSA-N -1 0 346.431 3.552 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N(Cc1ccc(F)cc1F)C1CC1 ZINC000183373006 1017308404 /nfs/dbraw/zinc/30/84/04/1017308404.db2.gz MPNICFASTVQPTA-UHFFFAOYSA-N -1 0 339.288 3.753 20 0 EHADRM Clc1ccc([C@H]2C[C@H](N=c3[n-]nc(C4CCOCC4)s3)C2)cc1 ZINC000549187641 1017558729 /nfs/dbraw/zinc/55/87/29/1017558729.db2.gz MJJIPGBUJOFBLF-CTYIDZIISA-N -1 0 349.887 3.866 20 0 EHADRM COc1ccc(C)cc1[N-]S(=O)(=O)c1cccc2c(C)ccnc21 ZINC000547955198 1017593830 /nfs/dbraw/zinc/59/38/30/1017593830.db2.gz CXCOYHBJQZOSAB-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM Cc1cccnc1-c1noc(-c2ccc(Br)cc2[O-])n1 ZINC000111689339 1017639646 /nfs/dbraw/zinc/63/96/46/1017639646.db2.gz UGRWRYMJBWWSEF-UHFFFAOYSA-N -1 0 332.157 3.575 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c1 ZINC000238226547 1017645652 /nfs/dbraw/zinc/64/56/52/1017645652.db2.gz HEGLSCVHTDGZSC-UHFFFAOYSA-N -1 0 342.738 3.946 20 0 EHADRM O=C([O-])c1cccc(Nc2cc(F)cnc2Br)c1F ZINC001210238574 1017645841 /nfs/dbraw/zinc/64/58/41/1017645841.db2.gz DXJITYHNMWAYKQ-UHFFFAOYSA-N -1 0 329.100 3.564 20 0 EHADRM CC(C)(C)c1ccc(C[NH+]=c2[n-]ncn2Cc2ccccc2)s1 ZINC000547961254 1017676276 /nfs/dbraw/zinc/67/62/76/1017676276.db2.gz GWIWICSGAWLGQU-UHFFFAOYSA-N -1 0 326.469 3.719 20 0 EHADRM O=C(N=c1cccn[n-]1)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000377348391 1017680896 /nfs/dbraw/zinc/68/08/96/1017680896.db2.gz XDUMJFDCYLXMOB-UHFFFAOYSA-N -1 0 349.221 3.527 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)N[C@@H](C)c1cc2ccccc2s1)C1CC1 ZINC000574134258 1032728100 /nfs/dbraw/zinc/72/81/00/1032728100.db2.gz DRSYCJNJAYZWRI-WDEREUQCSA-N -1 0 332.425 3.609 20 0 EHADRM CCCN(C(=O)NC[C@@H](C)C(=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000655889219 1017865340 /nfs/dbraw/zinc/86/53/40/1017865340.db2.gz SWKNKZBEZGJCPL-OLZOCXBDSA-N -1 0 332.400 3.636 20 0 EHADRM Cc1cc(Nc2ncc(Br)nc2Cl)ccc1C(=O)[O-] ZINC001211649819 1017871026 /nfs/dbraw/zinc/87/10/26/1017871026.db2.gz ACSLHNFIRYPZJQ-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM Cc1c(Cl)cc(NC(=O)C[C@]2(C(=O)[O-])CCSC2)cc1Cl ZINC000147045961 1017907091 /nfs/dbraw/zinc/90/70/91/1017907091.db2.gz SILBJWDWEQXCRU-CQSZACIVSA-N -1 0 348.251 3.838 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1cc2cccc(F)c2o1 ZINC000574138343 1032731033 /nfs/dbraw/zinc/73/10/33/1032731033.db2.gz DDYUCUKQNOACNJ-RYUDHWBXSA-N -1 0 348.374 3.529 20 0 EHADRM CCCc1cc(C(=O)N=c2[n-]nc(C(F)(F)F)s2)ccc1Cl ZINC000472795280 1017981478 /nfs/dbraw/zinc/98/14/78/1017981478.db2.gz ZDFWFXUTWPYKQX-UHFFFAOYSA-N -1 0 349.765 3.837 20 0 EHADRM O=C(N=c1[n-]nc(C2CC2)s1)NCc1cc(Cl)sc1Cl ZINC000579985362 1017987000 /nfs/dbraw/zinc/98/70/00/1017987000.db2.gz SYBIJUSLIKBXRN-UHFFFAOYSA-N -1 0 349.268 3.527 20 0 EHADRM C[C@H](C(=O)N=c1nc(-c2ccsc2)[n-]s1)c1cccc(F)c1 ZINC000377851810 1018471060 /nfs/dbraw/zinc/47/10/60/1018471060.db2.gz WTIRGWDBVODQNL-VIFPVBQESA-N -1 0 333.413 3.570 20 0 EHADRM C[C@H](O)C[C@H]1CCCCCN1C(=O)c1cc(O)cc(C(F)(F)F)c1 ZINC000623026765 1018473021 /nfs/dbraw/zinc/47/30/21/1018473021.db2.gz SWNMOFHVAQLVDZ-SMDDNHRTSA-N -1 0 345.361 3.567 20 0 EHADRM C[C@@H](Nc1cncc(-c2ccccc2)n1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656091707 1018520905 /nfs/dbraw/zinc/52/09/05/1018520905.db2.gz HUNNIDVJQOVQSA-VHDGCEQUSA-N -1 0 325.412 3.691 20 0 EHADRM CC(C)Oc1ccc(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)c(F)c1 ZINC000659139402 1018540569 /nfs/dbraw/zinc/54/05/69/1018540569.db2.gz CYUIMHZTRQYJGW-UHFFFAOYSA-N -1 0 335.375 3.587 20 0 EHADRM CCN(C(=O)c1ccc(-n2ncc(C(=O)[O-])c2C)cc1)c1ccccc1 ZINC000236801155 1018550588 /nfs/dbraw/zinc/55/05/88/1018550588.db2.gz MFPVTHNSRVPPCF-UHFFFAOYSA-N -1 0 349.390 3.546 20 0 EHADRM Cc1ccccc1S(=O)(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000035954998 1018565545 /nfs/dbraw/zinc/56/55/45/1018565545.db2.gz ZVXPUMFZQGFBLT-UHFFFAOYSA-N -1 0 340.404 3.983 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cccc(-c3cccc(Cl)c3)c2)O1 ZINC000340580354 1018574267 /nfs/dbraw/zinc/57/42/67/1018574267.db2.gz HOXWLLAGYDSONP-CVEARBPZSA-N -1 0 345.782 3.578 20 0 EHADRM CC(C)c1cc(C(=O)N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)c2ccccc2n1 ZINC000580195817 1018770856 /nfs/dbraw/zinc/77/08/56/1018770856.db2.gz MCBJKQXAQPUQHY-ZUOKHONESA-N -1 0 340.423 3.541 20 0 EHADRM Cc1ccc([C@H](NC(=O)NCc2ncccc2O)c2ccccc2)cc1 ZINC000471548744 1018894207 /nfs/dbraw/zinc/89/42/07/1018894207.db2.gz SXGDZYJXICWYTJ-HXUWFJFHSA-N -1 0 347.418 3.684 20 0 EHADRM CO[C@@H](c1noc(-c2cccc(Br)c2[O-])n1)C(C)C ZINC000580274594 1018908596 /nfs/dbraw/zinc/90/85/96/1018908596.db2.gz HEUFWCZLEDIIKM-LLVKDONJSA-N -1 0 327.178 3.548 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1csc2ccccc12 ZINC000261754528 1018920816 /nfs/dbraw/zinc/92/08/16/1018920816.db2.gz PEZOKLRHFOAUMQ-GLQYFDAESA-N -1 0 329.421 3.759 20 0 EHADRM CCCCOCCSc1n[n-]c(=Nc2cccc(OC)c2)s1 ZINC000614381918 1018925085 /nfs/dbraw/zinc/92/50/85/1018925085.db2.gz JGVPBRYVHGPWFS-UHFFFAOYSA-N -1 0 339.486 3.621 20 0 EHADRM CCOc1cc(-c2ccccc2)sc1C(=O)N(C)CCCC(=O)[O-] ZINC000237065567 1018934054 /nfs/dbraw/zinc/93/40/54/1018934054.db2.gz YPLKCDNCQIYWGQ-UHFFFAOYSA-N -1 0 347.436 3.751 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)c1 ZINC000433492494 1019019167 /nfs/dbraw/zinc/01/91/67/1019019167.db2.gz UTPMSRCXMOQZBJ-UHFFFAOYSA-N -1 0 345.342 3.774 20 0 EHADRM COC(=O)c1cccc(O)c1Nc1cc(Cl)c([O-])c(Cl)c1 ZINC001210928998 1019074554 /nfs/dbraw/zinc/07/45/54/1019074554.db2.gz PTQZOUAEJOFRCM-UHFFFAOYSA-N -1 0 328.151 3.935 20 0 EHADRM COC(=O)c1nc(Cl)nc(Cl)c1Nc1cccc([S-])c1 ZINC001210945307 1019097592 /nfs/dbraw/zinc/09/75/92/1019097592.db2.gz MZACMNBHRZSXIZ-UHFFFAOYSA-N -1 0 330.196 3.602 20 0 EHADRM Nc1cc(Br)cc(F)c1Nc1ccccc1C(=O)[O-] ZINC001210969828 1019152580 /nfs/dbraw/zinc/15/25/80/1019152580.db2.gz WPEVGGHLTWUDFU-UHFFFAOYSA-N -1 0 325.137 3.612 20 0 EHADRM CCOC(=O)c1sc([N-]c2nccs2)c(C(=O)OCC)c1C ZINC001210989875 1019174418 /nfs/dbraw/zinc/17/44/18/1019174418.db2.gz SIJVFQOASBADPY-UHFFFAOYSA-N -1 0 340.426 3.610 20 0 EHADRM O=C([O-])CN(C(=O)Nc1nc2ccccc2s1)C1CCCCC1 ZINC000683921218 1019241841 /nfs/dbraw/zinc/24/18/41/1019241841.db2.gz ORXFXCXISVDRQS-UHFFFAOYSA-N -1 0 333.413 3.548 20 0 EHADRM C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)[C@H]1CC[C@@H]1C(=O)[O-] ZINC000262001838 1019512322 /nfs/dbraw/zinc/51/23/22/1019512322.db2.gz DNZRCCBXRPOPDN-ZHAHWJHGSA-N -1 0 342.222 3.550 20 0 EHADRM C[C@H](C(=O)NCCCCCCCC(=O)[O-])c1cccc(Cl)c1 ZINC000262165748 1019553935 /nfs/dbraw/zinc/55/39/35/1019553935.db2.gz PUVKYGNBSSALBB-ZDUSSCGKSA-N -1 0 325.836 3.985 20 0 EHADRM CC(C)(C)c1ccc(O)c([N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000433809294 1019636367 /nfs/dbraw/zinc/63/63/67/1019636367.db2.gz UDXOKWUGVDFZIX-UHFFFAOYSA-N -1 0 341.379 3.769 20 0 EHADRM CCOc1ccc(NC(=O)C2CCC(C(=O)[O-])CC2)cc1Cl ZINC000262704660 1019710703 /nfs/dbraw/zinc/71/07/03/1019710703.db2.gz JCLDXEUPQGVVBR-UHFFFAOYSA-N -1 0 325.792 3.568 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000262848240 1019746212 /nfs/dbraw/zinc/74/62/12/1019746212.db2.gz CWIWXZCJXIPBBD-MWLCHTKSSA-N -1 0 345.317 3.701 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)CCCOc2ccccc2F)c1 ZINC000263051642 1019799216 /nfs/dbraw/zinc/79/92/16/1019799216.db2.gz DWWZPXMPXLZRQP-ZDUSSCGKSA-N -1 0 345.370 3.812 20 0 EHADRM CCC[C@@H](CNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)C(=O)[O-] ZINC000263071933 1019806940 /nfs/dbraw/zinc/80/69/40/1019806940.db2.gz CFLIOMKBTPFIEP-QMMMGPOBSA-N -1 0 343.210 3.705 20 0 EHADRM O=C([O-])CCCCC(=O)NCc1ccc(Oc2ccccc2)cc1 ZINC000263244396 1019849582 /nfs/dbraw/zinc/84/95/82/1019849582.db2.gz CVERLQRUMQLMAZ-UHFFFAOYSA-N -1 0 327.380 3.740 20 0 EHADRM Cn1cc(Oc2ccccc2C(=O)Nc2cccc(Cl)c2[O-])cn1 ZINC000513612610 1019871237 /nfs/dbraw/zinc/87/12/37/1019871237.db2.gz DKLPLLZWKNGZCI-UHFFFAOYSA-N -1 0 343.770 3.824 20 0 EHADRM COc1ccc(OC(C)C)c(NC(=O)CC2CCC(C(=O)[O-])CC2)c1 ZINC000580716633 1019899437 /nfs/dbraw/zinc/89/94/37/1019899437.db2.gz LBOASEHVVPFZHN-UHFFFAOYSA-N -1 0 349.427 3.702 20 0 EHADRM c1ccc([C@H]2CCC[C@@H](N=c3[n-]c(C4CCOCC4)no3)C2)cc1 ZINC000580761560 1019990765 /nfs/dbraw/zinc/99/07/65/1019990765.db2.gz JYNHHWUMJVAIHI-DLBZAZTESA-N -1 0 327.428 3.524 20 0 EHADRM C[C@@H]1[C@@H](C(=O)N=c2nc(-c3ccsc3)[n-]s2)[C@@H]1c1ccccc1 ZINC000430520912 1020060618 /nfs/dbraw/zinc/06/06/18/1020060618.db2.gz CGUBFVSJIUAKPZ-LEWSCRJBSA-N -1 0 341.461 3.677 20 0 EHADRM C[C@@]1(O)CCCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CC1 ZINC000280190144 1020153963 /nfs/dbraw/zinc/15/39/63/1020153963.db2.gz CZKWFUKWNCFUIQ-GOSISDBHSA-N -1 0 333.815 3.576 20 0 EHADRM C[C@]1(O)CCCN(C(=O)c2cc(Oc3ccccc3)ccc2O)CC1 ZINC000280190222 1020154257 /nfs/dbraw/zinc/15/42/57/1020154257.db2.gz DAGWNTVFZDMTLA-FQEVSTJZSA-N -1 0 341.407 3.562 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])C[N@@H+]1Cc1cc(Br)ccc1Cl ZINC000263462611 1020398156 /nfs/dbraw/zinc/39/81/56/1020398156.db2.gz CBWBTUUCSGHYBQ-ZJUUUORDSA-N -1 0 346.652 3.788 20 0 EHADRM CC(C)(C)n1cnc(=NC(=O)N[C@@H](CC2CCC2)c2ccccc2)[n-]1 ZINC000345627033 1020401508 /nfs/dbraw/zinc/40/15/08/1020401508.db2.gz STMCALIFJKTXCH-INIZCTEOSA-N -1 0 341.459 3.508 20 0 EHADRM CCC[C@@H](NC(=O)N[C@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC000780370799 1020546510 /nfs/dbraw/zinc/54/65/10/1020546510.db2.gz PFAPQRNZODQWML-QZTJIDSGSA-N -1 0 340.423 3.523 20 0 EHADRM Cc1cc(C)c(C(=O)NCc2c(C(=O)[O-])sc3ccsc32)[nH]1 ZINC000345869034 1020581093 /nfs/dbraw/zinc/58/10/93/1020581093.db2.gz QJTUYUOWKQZFRO-UHFFFAOYSA-N -1 0 334.422 3.536 20 0 EHADRM Cc1oc(CNC(=O)c2ccc(Oc3ccccc3)o2)cc1C(=O)[O-] ZINC000345871903 1020582638 /nfs/dbraw/zinc/58/26/38/1020582638.db2.gz SYDFJCSIDSTCJN-UHFFFAOYSA-N -1 0 341.319 3.602 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc2[nH]ccc2c1)c1ccc(Cl)cc1 ZINC000345899410 1020596796 /nfs/dbraw/zinc/59/67/96/1020596796.db2.gz FOEZDTRVKBRIGP-MRXNPFEDSA-N -1 0 342.782 3.767 20 0 EHADRM CCCCCc1nnc([N-]C(=O)c2c(F)ccc(O)c2F)s1 ZINC000280737529 1020623126 /nfs/dbraw/zinc/62/31/26/1020623126.db2.gz JEBGVCBGTVHFHS-UHFFFAOYSA-N -1 0 327.356 3.507 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccc(F)c3ccccc23)C1 ZINC000326003471 1020680907 /nfs/dbraw/zinc/68/09/07/1020680907.db2.gz GUMDLRJQBYLVMV-ZDUSSCGKSA-N -1 0 329.371 3.696 20 0 EHADRM C[C@](CC(=O)Nc1ccc(Cl)c(F)c1)(C(=O)[O-])c1ccccc1 ZINC000048383349 1020732642 /nfs/dbraw/zinc/73/26/42/1020732642.db2.gz QHMBUVMIQKKYKY-QGZVFWFLSA-N -1 0 335.762 3.850 20 0 EHADRM Cc1ncc(S(=O)(=O)[N-]c2cccc(-c3ccccc3)c2)s1 ZINC000340978445 1020735876 /nfs/dbraw/zinc/73/58/76/1020735876.db2.gz NVPHLIQJYFQFHZ-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM CCCCn1c(C)c(C)nc1SCc1nc(=O)c2sccc2[n-]1 ZINC000071834563 1020907378 /nfs/dbraw/zinc/90/73/78/1020907378.db2.gz GIEZHIJBMLFTAA-UHFFFAOYSA-N -1 0 348.497 3.890 20 0 EHADRM COCC1(CC(=O)Nc2cc(Br)cc(Cl)c2[O-])CC1 ZINC000581431659 1020914329 /nfs/dbraw/zinc/91/43/29/1020914329.db2.gz QFSNNUOCUJXVSI-UHFFFAOYSA-N -1 0 348.624 3.563 20 0 EHADRM CCc1cccc2cc(CN[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)oc21 ZINC000656566972 1020934498 /nfs/dbraw/zinc/93/44/98/1020934498.db2.gz XYXCAMQDSRPBKY-WBMJQRKESA-N -1 0 333.428 3.742 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cnn(C(C)(C)C)c2)cc1 ZINC000065834039 1032950378 /nfs/dbraw/zinc/95/03/78/1032950378.db2.gz SUPQLVXAVVNOMM-UHFFFAOYSA-N -1 0 335.473 3.736 20 0 EHADRM CCC[C@@H]1CCC[C@@H]1C(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1 ZINC000581560024 1021088368 /nfs/dbraw/zinc/08/83/68/1021088368.db2.gz SELXYOFCZUYOLK-UBDQQSCGSA-N -1 0 329.440 3.530 20 0 EHADRM CC(C)c1scnc1[N-]S(=O)(=O)c1ccccc1-c1ccno1 ZINC000341201323 1021089940 /nfs/dbraw/zinc/08/99/40/1021089940.db2.gz MQHFUPLPFVEEHB-UHFFFAOYSA-N -1 0 349.437 3.722 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2C)c(Cl)c1 ZINC000581569924 1021097363 /nfs/dbraw/zinc/09/73/63/1021097363.db2.gz XHVDUCSVAAVKQY-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM Cc1sc([N-]S(=O)(=O)c2ccc3ncccc3c2)nc1C(C)C ZINC000581618544 1021157111 /nfs/dbraw/zinc/15/71/11/1021157111.db2.gz GCQCFJGOZPNNBY-UHFFFAOYSA-N -1 0 347.465 3.924 20 0 EHADRM Cc1ccccc1CS(=O)(=O)[N-]c1cc(-c2cccc(F)c2)on1 ZINC000516240529 1021209446 /nfs/dbraw/zinc/20/94/46/1021209446.db2.gz DRRHCCAGOYAQCK-UHFFFAOYSA-N -1 0 346.383 3.731 20 0 EHADRM O=S(=O)(CCc1ccc(F)cc1)[N-]c1nc(C2CCC2)cs1 ZINC000656733473 1021226074 /nfs/dbraw/zinc/22/60/74/1021226074.db2.gz KKSUEZJOMCLIGW-UHFFFAOYSA-N -1 0 340.445 3.534 20 0 EHADRM CCc1ccc(C)nc1[N-]S(=O)(=O)c1ccc2nc(C)sc2c1 ZINC000656738031 1021234974 /nfs/dbraw/zinc/23/49/74/1021234974.db2.gz QATIBTANMPGQCT-UHFFFAOYSA-N -1 0 347.465 3.671 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1ccc(Oc2cccnc2)c(C)c1)C(=O)[O-] ZINC000581645396 1021246005 /nfs/dbraw/zinc/24/60/05/1021246005.db2.gz WZFVNOKEWWRQKP-GOSISDBHSA-N -1 0 343.383 3.557 20 0 EHADRM O=C(c1c([O-])cc(Cl)cc1Cl)N1CCC[C@@H](OCC2CC2)C1 ZINC000436818545 1021246622 /nfs/dbraw/zinc/24/66/22/1021246622.db2.gz FPUXKWNUWNLMRB-GFCCVEGCSA-N -1 0 344.238 3.730 20 0 EHADRM O=C(CCC(=O)c1ccc(F)c(F)c1)Nc1ccc(F)c(F)c1[O-] ZINC001625987773 1032964065 /nfs/dbraw/zinc/96/40/65/1032964065.db2.gz CJKJZJUJBYBLQD-UHFFFAOYSA-N -1 0 341.260 3.550 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000507460499 1021278106 /nfs/dbraw/zinc/27/81/06/1021278106.db2.gz NOPHGUDQNNKXPK-UHFFFAOYSA-N -1 0 327.409 3.904 20 0 EHADRM O=C(NCC[C@@H]1CCOC1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436838720 1021281452 /nfs/dbraw/zinc/28/14/52/1021281452.db2.gz NRNVAPJPNSHBFL-CYBMUJFWSA-N -1 0 345.826 3.869 20 0 EHADRM O=C(Nc1ncc(-c2cccnc2)s1)c1ccc(Cl)cc1[O-] ZINC000436842324 1021286719 /nfs/dbraw/zinc/28/67/19/1021286719.db2.gz VEUAFXWJDPYOFE-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM CC1(C)CO[C@@H](c2cccc(Cl)c2)CN1CC1(CC(=O)[O-])CC1 ZINC000656765463 1021296770 /nfs/dbraw/zinc/29/67/70/1021296770.db2.gz MGVFYBKBYXWQSV-OAHLLOKOSA-N -1 0 337.847 3.747 20 0 EHADRM CC1(C)CO[C@H](c2cccc(Cl)c2)CN1Cc1ccc(C(=O)[O-])o1 ZINC000656765001 1021297284 /nfs/dbraw/zinc/29/72/84/1021297284.db2.gz HROPZTFICRHXBF-INIZCTEOSA-N -1 0 349.814 3.983 20 0 EHADRM CC(C)(C)[C@@H]1CCN(C(=O)c2c([O-])cc(Cl)cc2Cl)C[C@H]1O ZINC000436861204 1021297524 /nfs/dbraw/zinc/29/75/24/1021297524.db2.gz JKGDGMBONBNARZ-ZWNOBZJWSA-N -1 0 346.254 3.568 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2sccc2Br)c1 ZINC000436863053 1021301808 /nfs/dbraw/zinc/30/18/08/1021301808.db2.gz RKZPCAJDVLNHRW-UHFFFAOYSA-N -1 0 340.198 3.671 20 0 EHADRM Cc1c(S(=O)(=O)[N-]c2c(C)cc(Cl)c3ccccc32)cnn1C ZINC000427310200 1021303850 /nfs/dbraw/zinc/30/38/50/1021303850.db2.gz XYQKSLYVBXTMLV-UHFFFAOYSA-N -1 0 349.843 3.644 20 0 EHADRM CC(C)[C@@H]1CCCN(C(=O)c2cc(F)cc(Br)c2[O-])C1 ZINC000436865351 1021306024 /nfs/dbraw/zinc/30/60/24/1021306024.db2.gz SMMVUHFBKMZLAP-SNVBAGLBSA-N -1 0 344.224 3.802 20 0 EHADRM Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])sc1-c1ccccc1 ZINC000518563067 1021322719 /nfs/dbraw/zinc/32/27/19/1021322719.db2.gz UGMZCJHKQZVELW-UONOGXRCSA-N -1 0 329.421 3.707 20 0 EHADRM O=C(c1cccc(Br)c1[O-])N1CC[C@@H]1c1ccccc1 ZINC000518575939 1021333880 /nfs/dbraw/zinc/33/38/80/1021333880.db2.gz ZTFCIMDXIUIJNC-CQSZACIVSA-N -1 0 332.197 3.742 20 0 EHADRM O=C([O-])c1cncnc1NC(CCC(F)(F)F)CCC(F)(F)F ZINC000656785623 1021336385 /nfs/dbraw/zinc/33/63/85/1021336385.db2.gz ZAHBQNIMBJMJFB-UHFFFAOYSA-N -1 0 345.243 3.640 20 0 EHADRM Cc1cc(C(=O)Nc2cc(F)cc(Cl)c2[O-])nn1C(C)(C)C ZINC000436905713 1021350220 /nfs/dbraw/zinc/35/02/20/1021350220.db2.gz IOSVZVYYPFVIMC-UHFFFAOYSA-N -1 0 325.771 3.697 20 0 EHADRM COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436907451 1021353424 /nfs/dbraw/zinc/35/34/24/1021353424.db2.gz GFHDLCODIYBAMK-QAPCUYQASA-N -1 0 349.789 3.653 20 0 EHADRM O=C(Nc1csc(-c2ccccn2)n1)c1cc(F)cc(Cl)c1[O-] ZINC000436899636 1021363650 /nfs/dbraw/zinc/36/36/50/1021363650.db2.gz FBGWFHVGVDJREA-UHFFFAOYSA-N -1 0 349.774 3.956 20 0 EHADRM Cc1c([C@H](C)NC(=O)c2cc(Cl)c3ccccc3c2[O-])cnn1C ZINC000436930633 1021367339 /nfs/dbraw/zinc/36/73/39/1021367339.db2.gz ZCHTUEOTGMXQJN-JTQLQIEISA-N -1 0 343.814 3.732 20 0 EHADRM O=C(NCC1(CCOCc2ccccc2)CC1)c1ccc(F)cc1[O-] ZINC000436921229 1021377222 /nfs/dbraw/zinc/37/72/22/1021377222.db2.gz VKNZPCBXBHDQCX-UHFFFAOYSA-N -1 0 343.398 3.648 20 0 EHADRM CC[C@@]1(CNC(=O)c2ccc([O-])c(Cl)c2)OCCc2ccccc21 ZINC000436923799 1021380748 /nfs/dbraw/zinc/38/07/48/1021380748.db2.gz APHOHZLYTOFENW-IBGZPJMESA-N -1 0 345.826 3.654 20 0 EHADRM C[C@H](NC(=O)c1ccc(F)cc1[O-])c1ccccc1OC(F)F ZINC000436926124 1021385224 /nfs/dbraw/zinc/38/52/24/1021385224.db2.gz KHILYBSGCYSLQP-VIFPVBQESA-N -1 0 325.286 3.624 20 0 EHADRM C[C@H](NC(=O)c1ccccc1CCC(=O)[O-])[C@@H](C)c1ccccc1 ZINC000909409946 1021396484 /nfs/dbraw/zinc/39/64/84/1021396484.db2.gz CCUOFLGEMULQCI-CABCVRRESA-N -1 0 325.408 3.626 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1cnc(Cl)c(Br)n1 ZINC001211621150 1032980144 /nfs/dbraw/zinc/98/01/44/1032980144.db2.gz ZITSQVAUFNEWBV-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM C[C@]1(CNC(=O)c2cc(F)c([O-])c(F)c2)CCCc2ccccc21 ZINC000436963328 1021410860 /nfs/dbraw/zinc/41/08/60/1021410860.db2.gz BYNJDBMPOBOJEF-LJQANCHMSA-N -1 0 331.362 3.694 20 0 EHADRM CCc1cc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)ccc1F ZINC000507632855 1021411388 /nfs/dbraw/zinc/41/13/88/1021411388.db2.gz BYEWJNHITMZINR-UHFFFAOYSA-N -1 0 336.363 3.809 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000436967985 1021413867 /nfs/dbraw/zinc/41/38/67/1021413867.db2.gz RWMHNGOEMMOSOT-XVJNWHFHSA-N -1 0 329.346 3.988 20 0 EHADRM CC(C)(C)[C@@H]1C[C@@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)CCO1 ZINC000436981346 1021437236 /nfs/dbraw/zinc/43/72/36/1021437236.db2.gz QZLZLUUPFNAUTH-GWCFXTLKSA-N -1 0 329.799 3.508 20 0 EHADRM COc1ccc(NC(=O)c2c([O-])cccc2F)c(C(F)(F)F)c1 ZINC000436986648 1021442075 /nfs/dbraw/zinc/44/20/75/1021442075.db2.gz RHSDFJALCBGGPS-UHFFFAOYSA-N -1 0 329.249 3.811 20 0 EHADRM CC[C@H]1CCCCCN1C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC000909412095 1021448174 /nfs/dbraw/zinc/44/81/74/1021448174.db2.gz YCYYDNUMVGWLCA-ZDUSSCGKSA-N -1 0 328.412 3.590 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CO[C@H]2CCCc3ccccc32)c1 ZINC000436993914 1021448809 /nfs/dbraw/zinc/44/88/09/1021448809.db2.gz ITILVVFWKUEDNH-IBGZPJMESA-N -1 0 339.391 3.628 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)c(C)c1 ZINC000506577818 1021457635 /nfs/dbraw/zinc/45/76/35/1021457635.db2.gz KEGIIAZMSKPVNK-UHFFFAOYSA-N -1 0 333.306 3.661 20 0 EHADRM O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)c1c([O-])cccc1F ZINC000436985521 1021458703 /nfs/dbraw/zinc/45/87/03/1021458703.db2.gz HLAKKXAAGPRMSA-UHFFFAOYSA-N -1 0 349.268 3.771 20 0 EHADRM Cc1cc(C(=O)Nc2cc(F)ccc2O)nn1-c1ccc(Cl)cc1 ZINC000437005352 1021459889 /nfs/dbraw/zinc/45/98/89/1021459889.db2.gz OLTKXADPDNPNPQ-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM COc1ccc(Cc2noc(-c3cc(Cl)ccc3[O-])n2)cc1F ZINC000437001431 1021470393 /nfs/dbraw/zinc/47/03/93/1021470393.db2.gz PFEKEMAFYZZDKO-UHFFFAOYSA-N -1 0 334.734 3.834 20 0 EHADRM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000276493528 1021489342 /nfs/dbraw/zinc/48/93/42/1021489342.db2.gz OEMNQCIQHCALGT-JTQLQIEISA-N -1 0 339.716 3.988 20 0 EHADRM CC(C)Oc1ccccc1[N-]S(=O)(=O)c1cnc2ccsc2c1 ZINC000439574001 1021564237 /nfs/dbraw/zinc/56/42/37/1021564237.db2.gz RPNUBMMRQCDMTD-UHFFFAOYSA-N -1 0 348.449 3.884 20 0 EHADRM Cc1nc(C(C)C)[nH]c(=O)c1C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000078805577 1021608537 /nfs/dbraw/zinc/60/85/37/1021608537.db2.gz GGLZFFGOUAFOAS-UHFFFAOYSA-N -1 0 347.418 3.706 20 0 EHADRM Cc1cc(CNC(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)ccc1Cl ZINC000519681355 1021619074 /nfs/dbraw/zinc/61/90/74/1021619074.db2.gz LEPJXVCWQKZLIO-MRXNPFEDSA-N -1 0 346.814 3.616 20 0 EHADRM O=S(=O)([N-]c1n[nH]c2ccc(F)cc21)c1cccc2ccccc21 ZINC000437178097 1021624667 /nfs/dbraw/zinc/62/46/67/1021624667.db2.gz VGUAAXCSZFZBEO-UHFFFAOYSA-N -1 0 341.367 3.656 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N([C@@H](C)C(=O)[O-])C2CC2)cc1Cl ZINC000519742151 1021653425 /nfs/dbraw/zinc/65/34/25/1021653425.db2.gz ZDAJTEACFKUNSH-JTQLQIEISA-N -1 0 340.807 3.597 20 0 EHADRM CC1(C)CC[C@H](CNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c2ccccc21 ZINC000439714350 1021658179 /nfs/dbraw/zinc/65/81/79/1021658179.db2.gz BZQYCOBSPOTXIW-OWCLPIDISA-N -1 0 343.467 3.849 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)C1 ZINC000516742428 1021689383 /nfs/dbraw/zinc/68/93/83/1021689383.db2.gz SDWPJOXQOYVRCJ-ACJLOTCBSA-N -1 0 348.418 3.563 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ncc(C(C)C)s2)cc1Cl ZINC000437299513 1021713215 /nfs/dbraw/zinc/71/32/15/1021713215.db2.gz VGIIVOJBHMAGJQ-UHFFFAOYSA-N -1 0 346.861 3.729 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2ncc(C(C)(C)C)s2)cc1 ZINC000437324819 1021732356 /nfs/dbraw/zinc/73/23/56/1021732356.db2.gz FRABCFOPCPVKRZ-UHFFFAOYSA-N -1 0 340.470 3.640 20 0 EHADRM CCCc1nc(=NC(=O)c2ccc(-c3csc(C)n3)cc2)s[n-]1 ZINC000440733148 1021732851 /nfs/dbraw/zinc/73/28/51/1021732851.db2.gz OKIUXMOCPXDGTN-UHFFFAOYSA-N -1 0 344.465 3.597 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1nc2ccsc2s1 ZINC000437312427 1021734034 /nfs/dbraw/zinc/73/40/34/1021734034.db2.gz YGYABOPSJVSFNM-UHFFFAOYSA-N -1 0 328.415 3.606 20 0 EHADRM O=C(Nc1ccc(Oc2cccnc2)nc1)c1ccc([O-])c(Cl)c1 ZINC000089993709 1021737210 /nfs/dbraw/zinc/73/72/10/1021737210.db2.gz CHMZISWJLWPITA-UHFFFAOYSA-N -1 0 341.754 3.880 20 0 EHADRM CC(C)(C)c1cnc([N-]S(=O)(=O)Cc2ccc(F)cc2)s1 ZINC000437335574 1021743745 /nfs/dbraw/zinc/74/37/45/1021743745.db2.gz HRTZQOCQIPHMGT-UHFFFAOYSA-N -1 0 328.434 3.522 20 0 EHADRM COc1ncccc1[N-]S(=O)(=O)c1cccc(-c2ccccc2)c1 ZINC000506708167 1021796416 /nfs/dbraw/zinc/79/64/16/1021796416.db2.gz SQHWJCQGLQOORG-UHFFFAOYSA-N -1 0 340.404 3.558 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1ccc(Cl)c(C)c1 ZINC000439933640 1021843829 /nfs/dbraw/zinc/84/38/29/1021843829.db2.gz YSHLFVLAWOFADU-INIZCTEOSA-N -1 0 331.799 3.903 20 0 EHADRM CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc(OC(F)F)nc1 ZINC000559152678 1021897811 /nfs/dbraw/zinc/89/78/11/1021897811.db2.gz ONLXTLNGCFLJGS-UHFFFAOYSA-N -1 0 342.367 3.607 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)c(F)c1 ZINC000519217324 1021936859 /nfs/dbraw/zinc/93/68/59/1021936859.db2.gz ARRKKXKABHIBQH-UHFFFAOYSA-N -1 0 337.416 3.860 20 0 EHADRM CC[C@H](C)[C@H](C(=O)NCCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000327775150 1033016657 /nfs/dbraw/zinc/01/66/57/1033016657.db2.gz WZXBKNLCPAFQGD-KXBFYZLASA-N -1 0 339.435 3.873 20 0 EHADRM CCc1n[n-]c(=NC(=O)N(CC)[C@@H](CC)Cc2ccc(C)cc2)s1 ZINC000437579279 1021966594 /nfs/dbraw/zinc/96/65/94/1021966594.db2.gz HSOAKKXTOLCAIL-HNNXBMFYSA-N -1 0 346.500 3.706 20 0 EHADRM CCOc1c(Cl)cc([N-]S(=O)(=O)c2ccco2)cc1Cl ZINC000437650077 1022019083 /nfs/dbraw/zinc/01/90/83/1022019083.db2.gz LDYXSPGTXLUEPO-UHFFFAOYSA-N -1 0 336.196 3.786 20 0 EHADRM O=C(N[C@@H](c1cccnc1)C1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000520252054 1022069881 /nfs/dbraw/zinc/06/98/81/1022069881.db2.gz UYLISMGJOKNOKD-CQSZACIVSA-N -1 0 336.313 3.687 20 0 EHADRM Cn1cc(NC(=O)c2c([O-])cc(F)cc2F)c(C2CCCCC2)n1 ZINC000650488415 1022070474 /nfs/dbraw/zinc/07/04/74/1022070474.db2.gz ATNGCDKZXIJWNR-UHFFFAOYSA-N -1 0 335.354 3.704 20 0 EHADRM Clc1cccc(Cl)c1CN=c1[n-]ncn1Cc1ccccc1 ZINC000548288766 1022084502 /nfs/dbraw/zinc/08/45/02/1022084502.db2.gz IHMJPZMBFCJLEA-UHFFFAOYSA-N -1 0 333.222 3.667 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1cccc(-c2cc[nH]n2)c1 ZINC000188346893 1022091386 /nfs/dbraw/zinc/09/13/86/1022091386.db2.gz FUETWGUWOBPAGB-UHFFFAOYSA-N -1 0 345.449 3.599 20 0 EHADRM Cc1nc(CNCc2cccc(Cl)c2Cl)ccc1C(=O)[O-] ZINC000426634945 1022099996 /nfs/dbraw/zinc/09/99/96/1022099996.db2.gz RSIKEQAXNZLTLV-UHFFFAOYSA-N -1 0 325.195 3.685 20 0 EHADRM CC(C)[C@H]1N(C(=O)N=c2[n-]nc(C(F)F)s2)CC12CCCCC2 ZINC000333816300 1022183855 /nfs/dbraw/zinc/18/38/55/1022183855.db2.gz HYZKGSWLTRCEJC-SNVBAGLBSA-N -1 0 344.431 3.720 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1ccc(-c2cc[nH]n2)cc1 ZINC000188395857 1022214824 /nfs/dbraw/zinc/21/48/24/1022214824.db2.gz SANKXYXBUKNTKH-UHFFFAOYSA-N -1 0 345.449 3.599 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)[C@H]1SCCc2ccccc21)C1CCCCC1 ZINC000345976058 1022239396 /nfs/dbraw/zinc/23/93/96/1022239396.db2.gz IWHRXRCYOUHMPU-AEFFLSMTSA-N -1 0 347.480 3.557 20 0 EHADRM C[C@@H](NC(=O)N=c1nc(C(C)(C)C)[n-]s1)[C@H](C)c1ccccc1 ZINC000473622144 1022265988 /nfs/dbraw/zinc/26/59/88/1022265988.db2.gz UBUZDSHNSSAZJO-NWDGAFQWSA-N -1 0 332.473 3.571 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@H](C)c2cc3cccc(F)c3o2)s1 ZINC000473919243 1022289501 /nfs/dbraw/zinc/28/95/01/1022289501.db2.gz FWPNAMOZUMFFDD-SECBINFHSA-N -1 0 348.403 3.681 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N2CCC(C)(C)C2)s1)c1ccccc1 ZINC000438008718 1022310306 /nfs/dbraw/zinc/31/03/06/1022310306.db2.gz FCFQIFVKJYLGAG-CQSZACIVSA-N -1 0 344.484 3.766 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1 ZINC000326438586 1022355754 /nfs/dbraw/zinc/35/57/54/1022355754.db2.gz YZDXUWLNMOQYPJ-UHFFFAOYSA-N -1 0 348.742 3.518 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CCCC[C@H]1c1cc[nH]n1 ZINC000517585007 1022474242 /nfs/dbraw/zinc/47/42/42/1022474242.db2.gz QJWXWUSWWDAUHZ-ZDUSSCGKSA-N -1 0 339.317 3.502 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cnc(-c2ccco2)s1)C1CCCCC1 ZINC000345982355 1022614138 /nfs/dbraw/zinc/61/41/38/1022614138.db2.gz QMQYJNOZYMUHER-LBPRGKRZSA-N -1 0 348.424 3.557 20 0 EHADRM O=C(N=c1nc(-c2ccccc2Cl)[n-]s1)C(C1CC1)C1CC1 ZINC000510534910 1022645338 /nfs/dbraw/zinc/64/53/38/1022645338.db2.gz VUOCGBPTOITIHJ-UHFFFAOYSA-N -1 0 333.844 3.655 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)c2ccc3ccccc3c2)c1 ZINC000145492038 1033070628 /nfs/dbraw/zinc/07/06/28/1033070628.db2.gz KIHJUAMDLGDECP-IBGZPJMESA-N -1 0 349.386 3.794 20 0 EHADRM CC(C)[C@@H]1CCCN(C(=O)c2cccc(Br)c2[O-])C1 ZINC000548382846 1022670272 /nfs/dbraw/zinc/67/02/72/1022670272.db2.gz DZDDAJPHQRRNRW-LLVKDONJSA-N -1 0 326.234 3.663 20 0 EHADRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)c1C ZINC000331104405 1022744939 /nfs/dbraw/zinc/74/49/39/1022744939.db2.gz QCFUFBRQYUJETR-JTQLQIEISA-N -1 0 343.399 3.550 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2c3c(nc4ccccc42)CCC3)cc1 ZINC000111916337 1022763243 /nfs/dbraw/zinc/76/32/43/1022763243.db2.gz LDALZHJXZQSVCH-UHFFFAOYSA-N -1 0 332.359 3.674 20 0 EHADRM C[C@@H]1[C@@H](C(=O)N=c2ccc(-c3ccccc3)n[n-]2)[C@@H]1c1ccccc1 ZINC000430838055 1022766010 /nfs/dbraw/zinc/76/60/10/1022766010.db2.gz NQCPBCIDAYSZIG-PNHOKKKMSA-N -1 0 329.403 3.554 20 0 EHADRM Cc1ccccc1C(F)(F)CNC(=O)c1ccc2oc(=S)[n-]c2c1 ZINC001167979968 1022769748 /nfs/dbraw/zinc/76/97/48/1022769748.db2.gz HRYMJKOFPKJZFP-UHFFFAOYSA-N -1 0 348.374 3.947 20 0 EHADRM CC(C)[C@H](C(=O)[O-])[S@](=O)Cc1ccccc1OCc1ccccc1 ZINC000593931926 1033079122 /nfs/dbraw/zinc/07/91/22/1033079122.db2.gz QLUYKHFPWGUXFR-HOYKHHGWSA-N -1 0 346.448 3.624 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N[C@H](c2ccccc2)C2CCC2)s1 ZINC000517899469 1022807217 /nfs/dbraw/zinc/80/72/17/1022807217.db2.gz WUOYLODZCUUPBH-CYBMUJFWSA-N -1 0 348.497 3.735 20 0 EHADRM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1c(O)cccc1O ZINC000438579583 1022810437 /nfs/dbraw/zinc/81/04/37/1022810437.db2.gz DLRWHGCLHZFRBX-JOYOIKCWSA-N -1 0 338.190 3.691 20 0 EHADRM CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000517922199 1022852672 /nfs/dbraw/zinc/85/26/72/1022852672.db2.gz YMSGQZAFJNLIGP-UHFFFAOYSA-N -1 0 341.816 3.548 20 0 EHADRM CC[C@@]1(C)CCN(C(=O)N=c2nc(-c3sccc3C)[n-]s2)C1 ZINC000473815040 1022858081 /nfs/dbraw/zinc/85/80/81/1022858081.db2.gz BUQGQCHWQHDDIR-HNNXBMFYSA-N -1 0 336.486 3.651 20 0 EHADRM Cc1c(C(=O)[O-])sc2ncnc(NCCC3CC(F)(F)C3)c12 ZINC000574404242 1033090015 /nfs/dbraw/zinc/09/00/15/1033090015.db2.gz QXHCGLZCFSAUFZ-UHFFFAOYSA-N -1 0 327.356 3.545 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Br)c2)s1 ZINC000070140419 1022937544 /nfs/dbraw/zinc/93/75/44/1022937544.db2.gz RNQXCBGVHYSEJQ-UHFFFAOYSA-N -1 0 346.271 3.928 20 0 EHADRM Cc1cccc([C@@H]2CCCCN2C(=O)N=c2cc(C)c(C)n[n-]2)c1C ZINC000518028890 1022939290 /nfs/dbraw/zinc/93/92/90/1022939290.db2.gz UVLGMXCYYUKJOU-SFHVURJKSA-N -1 0 338.455 3.891 20 0 EHADRM CCOCc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000438735543 1022960122 /nfs/dbraw/zinc/96/01/22/1022960122.db2.gz ZTDPKYBMBWMOEV-UHFFFAOYSA-N -1 0 343.807 3.816 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccccc2SCc2occc2C(=O)[O-])C1 ZINC000262097910 1022960726 /nfs/dbraw/zinc/96/07/26/1022960726.db2.gz IRXLXDOPFXFEFU-GFCCVEGCSA-N -1 0 345.420 3.752 20 0 EHADRM Cc1nc(CNCc2cccc(-c3cccnc3)c2)sc1C(=O)[O-] ZINC000426687747 1022961945 /nfs/dbraw/zinc/96/19/45/1022961945.db2.gz RZDSWHXELJVGPR-UHFFFAOYSA-N -1 0 339.420 3.502 20 0 EHADRM Cc1nc(CNCc2cc3c(ccc(C)c3C)[nH]2)sc1C(=O)[O-] ZINC000426695382 1022969177 /nfs/dbraw/zinc/96/91/77/1022969177.db2.gz MSLITZYCFXMAPE-UHFFFAOYSA-N -1 0 329.425 3.538 20 0 EHADRM O=C([O-])c1coc(CNCc2cc(Br)ccc2Cl)c1 ZINC000426699724 1022970852 /nfs/dbraw/zinc/97/08/52/1022970852.db2.gz LNGRZKCUKYIONA-UHFFFAOYSA-N -1 0 344.592 3.684 20 0 EHADRM COc1ccccc1[C@@H](CC(C)C)N=c1nc([C@H](C)OC)[n-]s1 ZINC000509551049 1023028603 /nfs/dbraw/zinc/02/86/03/1023028603.db2.gz CFUOERFUNUXEEO-GXTWGEPZSA-N -1 0 335.473 3.875 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NCc2cccc3c2OC(C)(C)C3)o1 ZINC000426771092 1023035156 /nfs/dbraw/zinc/03/51/56/1023035156.db2.gz YRVNOZJGNJADFS-HNNXBMFYSA-N -1 0 329.396 3.607 20 0 EHADRM C[C@H](c1ccsc1)N1CCN(Cc2c(F)ccc(O)c2F)CC1 ZINC000438824157 1023041889 /nfs/dbraw/zinc/04/18/89/1023041889.db2.gz BJTAHQFWGMLATL-GFCCVEGCSA-N -1 0 338.423 3.611 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(CN[C@@H](Cc2ccco2)C(=O)[O-])o1 ZINC000426793127 1023052211 /nfs/dbraw/zinc/05/22/11/1023052211.db2.gz MCCWSBQDYLDOTH-KRWDZBQOSA-N -1 0 343.354 3.773 20 0 EHADRM Cc1ccc(-c2ncc(CN[C@H](C(=O)[O-])c3cccc(F)c3)s2)o1 ZINC000426800741 1023056354 /nfs/dbraw/zinc/05/63/54/1023056354.db2.gz OSWUWDIPQQNKEB-HNNXBMFYSA-N -1 0 346.383 3.766 20 0 EHADRM O=C([O-])[C@@H](NCc1ccc(-c2ccncc2)cc1F)c1cccs1 ZINC000426803984 1023057050 /nfs/dbraw/zinc/05/70/50/1023057050.db2.gz QXNJTVOSDFOAHH-KRWDZBQOSA-N -1 0 342.395 3.865 20 0 EHADRM Cc1cnc(C(=O)Nc2cc(NC(=O)C(C)(C)C)ccc2C)c([O-])c1 ZINC000426831012 1023060359 /nfs/dbraw/zinc/06/03/59/1023060359.db2.gz ATLGPYCIRXKENA-UHFFFAOYSA-N -1 0 341.411 3.641 20 0 EHADRM COc1ccc(CN[C@@H](C(=O)[O-])c2cccs2)cc1OCC(C)C ZINC000426821858 1023067134 /nfs/dbraw/zinc/06/71/34/1023067134.db2.gz XIQFTIUSCTYDGT-QGZVFWFLSA-N -1 0 349.452 3.707 20 0 EHADRM CC(C)C[C@@H](NC(=O)N[C@@H](C)c1cccc2ccccc21)C(=O)[O-] ZINC000196021611 1033106749 /nfs/dbraw/zinc/10/67/49/1033106749.db2.gz NVQXBJLZZVSJBP-SUMWQHHRSA-N -1 0 328.412 3.699 20 0 EHADRM Cc1cc(=O)[n-]c(O[C@@H](C)c2c(F)cc(Br)cc2F)n1 ZINC001226159388 1023136643 /nfs/dbraw/zinc/13/66/43/1023136643.db2.gz LTVSQTVWOKQRRW-ZETCQYMHSA-N -1 0 345.143 3.671 20 0 EHADRM Cc1ccc(NC(=O)Cc2noc(-c3ccc([O-])c(Cl)c3)n2)cc1 ZINC000189928627 1023143240 /nfs/dbraw/zinc/14/32/40/1023143240.db2.gz BWESEUUNRGIRHB-UHFFFAOYSA-N -1 0 343.770 3.585 20 0 EHADRM Cc1cnc(C(=O)Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)c([O-])c1 ZINC000427000788 1023161224 /nfs/dbraw/zinc/16/12/24/1023161224.db2.gz FTPYHNZOAMEZMI-UHFFFAOYSA-N -1 0 341.411 3.641 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2C[C@@H](C)c3ccccc32)n1 ZINC000438990223 1023194708 /nfs/dbraw/zinc/19/47/08/1023194708.db2.gz XLHHHSRPRAUFAW-CQSZACIVSA-N -1 0 347.418 3.904 20 0 EHADRM COc1cc(C)ccc1[N-]S(=O)(=O)c1ccc2nc(C)sc2c1 ZINC000427100921 1023215204 /nfs/dbraw/zinc/21/52/04/1023215204.db2.gz AAVWWACFFZFSOB-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM CCOc1ccc([C@H](C)N=c2nc(C(F)(F)F)[n-]s2)cc1OC ZINC000341740763 1023226899 /nfs/dbraw/zinc/22/68/99/1023226899.db2.gz AWAZIFHKADTNTC-QMMMGPOBSA-N -1 0 347.362 3.559 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3C[C@@H](C)CC[C@@H]3C)n2)cc1 ZINC000439091602 1023267507 /nfs/dbraw/zinc/26/75/07/1023267507.db2.gz NGTJCINSUYLSJJ-GJZGRUSLSA-N -1 0 341.455 3.962 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000614570497 1023277253 /nfs/dbraw/zinc/27/72/53/1023277253.db2.gz GXUFHUYLUUXKOW-NWANDNLSSA-N -1 0 327.380 3.585 20 0 EHADRM CC(C)C[C@@]1(C)CCCN1C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000295667606 1023281416 /nfs/dbraw/zinc/28/14/16/1023281416.db2.gz GTUQRIICTFGXCP-GOSISDBHSA-N -1 0 345.468 3.665 20 0 EHADRM Cc1n[n-]c(=NCC2(c3cccc(C(F)(F)F)c3)CCCC2)o1 ZINC000341822635 1023389577 /nfs/dbraw/zinc/38/95/77/1023389577.db2.gz KUZTVAPGVSYBMC-UHFFFAOYSA-N -1 0 325.334 3.743 20 0 EHADRM C=CC(=O)Nc1cc(NC(=O)c2ccc(Cl)cc2[O-])ccc1F ZINC000092424727 1023414079 /nfs/dbraw/zinc/41/40/79/1023414079.db2.gz MXLLSMKMRFFOOG-UHFFFAOYSA-N -1 0 334.734 3.562 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H](c2ccccc2)C(F)(F)F)c(F)c1 ZINC000548478152 1023443947 /nfs/dbraw/zinc/44/39/47/1023443947.db2.gz VMHFDEMHEVOZSX-CYBMUJFWSA-N -1 0 341.260 3.557 20 0 EHADRM CC(C)Oc1ccccc1[C@@H](C)N=c1[n-]nc(C(F)(F)F)s1 ZINC000548481224 1023458644 /nfs/dbraw/zinc/45/86/44/1023458644.db2.gz DUMFIQZFRRHSEA-SECBINFHSA-N -1 0 331.363 3.939 20 0 EHADRM Cc1nccn1CCCSc1n[n-]c(=Nc2ccccc2F)s1 ZINC000535691893 1023569877 /nfs/dbraw/zinc/56/98/77/1023569877.db2.gz PWBTUDOGKQEOFE-UHFFFAOYSA-N -1 0 349.460 3.530 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)c1 ZINC000528972711 1033158971 /nfs/dbraw/zinc/15/89/71/1033158971.db2.gz FJKKOFCOJSEMMP-HZPDHXFCSA-N -1 0 327.355 3.866 20 0 EHADRM COc1cccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cn2)c1 ZINC000598371244 1033165235 /nfs/dbraw/zinc/16/52/35/1033165235.db2.gz CYOXYNBVYRGSPB-UHFFFAOYSA-N -1 0 340.404 3.558 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000537475916 1033176802 /nfs/dbraw/zinc/17/68/02/1033176802.db2.gz SACLMSGVVXPUNX-HNNXBMFYSA-N -1 0 349.496 3.850 20 0 EHADRM C[C@@H]1CCN(C(=O)Cc2ccccc2C(=O)[O-])[C@@H]1c1cccc(F)c1 ZINC000262185416 1024045709 /nfs/dbraw/zinc/04/57/09/1024045709.db2.gz QLUQPTHLHLPOHY-YJYMSZOUSA-N -1 0 341.382 3.676 20 0 EHADRM CCOCc1ccc(-c2ccc3c(c2)[C@@H](C(=O)[O-])CCO3)cc1F ZINC000657203927 1024083976 /nfs/dbraw/zinc/08/39/76/1024083976.db2.gz LRLAMXBMTAMFAD-HNNXBMFYSA-N -1 0 330.355 3.980 20 0 EHADRM C[C@@H](Oc1ccccc1-c1ccc(NC(=O)C(C)(C)C)nc1)C(=O)[O-] ZINC000657204912 1024088143 /nfs/dbraw/zinc/08/81/43/1024088143.db2.gz BWSHHKFGNZZCFI-GFCCVEGCSA-N -1 0 342.395 3.585 20 0 EHADRM CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c(O)c1 ZINC000443526595 1024104988 /nfs/dbraw/zinc/10/49/88/1024104988.db2.gz DEXBHHYEAWNORX-UHFFFAOYSA-N -1 0 347.436 3.521 20 0 EHADRM CC(C)CSCCCSc1n[n-]c(=NCC(F)(F)F)s1 ZINC000443528498 1024112071 /nfs/dbraw/zinc/11/20/71/1024112071.db2.gz JHPOLHKEYBRDOS-UHFFFAOYSA-N -1 0 345.481 3.806 20 0 EHADRM COCCCOc1ccc(-c2ccc(CCC(=O)[O-])c(OC)c2)cc1 ZINC000657206928 1024113451 /nfs/dbraw/zinc/11/34/51/1024113451.db2.gz DSTLTWZBVHHTIH-UHFFFAOYSA-N -1 0 344.407 3.795 20 0 EHADRM COCCCOc1ccc(-c2cc(C(=O)[O-])c(OC)cc2C)cc1 ZINC000657207775 1024130681 /nfs/dbraw/zinc/13/06/81/1024130681.db2.gz WSCZZLUYYCRGGA-UHFFFAOYSA-N -1 0 330.380 3.784 20 0 EHADRM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C(=O)Nc1ccc(C)cc1 ZINC000505429724 1024160428 /nfs/dbraw/zinc/16/04/28/1024160428.db2.gz ZYENFUXWDHECHC-INIZCTEOSA-N -1 0 341.798 3.626 20 0 EHADRM O=S(=O)([N-]c1ccnc(Cl)c1)c1cc(Cl)sc1Cl ZINC000226512183 1033190201 /nfs/dbraw/zinc/19/02/01/1033190201.db2.gz ZXAJUDGWSWBOFZ-UHFFFAOYSA-N -1 0 343.644 3.904 20 0 EHADRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc2ccn(C)c2c1 ZINC000434630596 1024209037 /nfs/dbraw/zinc/20/90/37/1024209037.db2.gz MAPOCYFRNGYKFN-UHFFFAOYSA-N -1 0 344.436 3.605 20 0 EHADRM Cc1ccc(SCCC(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1 ZINC000324126844 1024228878 /nfs/dbraw/zinc/22/88/78/1024228878.db2.gz RECYIMZSHPENHZ-UAGQMJEPSA-N -1 0 347.480 3.722 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@@H]1CCN(C)c2ccccc21 ZINC000909513454 1024251768 /nfs/dbraw/zinc/25/17/68/1024251768.db2.gz RJLLXVBSXKKWJF-OAHLLOKOSA-N -1 0 338.407 3.564 20 0 EHADRM O=C([N-]OC/C=C/Cl)/C(F)=C\c1ccc(F)c(C(F)(F)F)c1 ZINC001141763150 1024270998 /nfs/dbraw/zinc/27/09/98/1024270998.db2.gz IRGSRBZSUWBRGC-ZGMSZRMLSA-N -1 0 341.663 3.955 20 0 EHADRM C[C@H](CC(=O)N1C[C@H](C(=O)[O-])c2ccccc21)Cc1cccc(F)c1 ZINC000192944691 1024291968 /nfs/dbraw/zinc/29/19/68/1024291968.db2.gz IOSXZQXXSFFLCT-GUYCJALGSA-N -1 0 341.382 3.609 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc2c(s1)CCCCC2 ZINC000324187576 1024292659 /nfs/dbraw/zinc/29/26/59/1024292659.db2.gz QVHCETXXGCWHCV-CFVMTHIKSA-N -1 0 347.480 3.875 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1)C(=O)[O-] ZINC000191391885 1024293276 /nfs/dbraw/zinc/29/32/76/1024293276.db2.gz JASJNJWUNGFXKI-CYBMUJFWSA-N -1 0 336.391 3.612 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2C(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC000262211982 1024295835 /nfs/dbraw/zinc/29/58/35/1024295835.db2.gz PURYHFUDBUIVAV-IBGZPJMESA-N -1 0 337.419 3.990 20 0 EHADRM Cc1cc(Nc2nc(Cl)cnc2Br)cc(C(=O)[O-])c1 ZINC001211535272 1024336721 /nfs/dbraw/zinc/33/67/21/1024336721.db2.gz XGPPLDHUQSSMEX-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ccccc2OC(C)(C)C)cc1C ZINC000522359688 1024340169 /nfs/dbraw/zinc/34/01/69/1024340169.db2.gz JHRNGYWOHZQCDJ-UHFFFAOYSA-N -1 0 349.452 3.982 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)c1 ZINC000528972437 1033210955 /nfs/dbraw/zinc/21/09/55/1033210955.db2.gz CHTHCYIHGBLYJE-JEBQAFNWSA-N -1 0 341.794 3.773 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2CCC[C@H](F)C2)cc1 ZINC000425229066 1024466328 /nfs/dbraw/zinc/46/63/28/1024466328.db2.gz AYCFLHCKMGNHFV-IPYPFGDCSA-N -1 0 339.432 3.569 20 0 EHADRM COc1cc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)c(C)cc1C ZINC000280956957 1024489140 /nfs/dbraw/zinc/48/91/40/1024489140.db2.gz KERAXEVMMOSHLP-HXUWFJFHSA-N -1 0 341.407 3.683 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)N(C)CCCC(=O)[O-])cc2s1 ZINC000417747159 1024498482 /nfs/dbraw/zinc/49/84/82/1024498482.db2.gz CRLGXXFUKNQLDX-UHFFFAOYSA-N -1 0 335.429 3.748 20 0 EHADRM CC(C)CCc1ccc([N-]S(=O)(=O)c2cnn(C(C)C)c2)cc1 ZINC000607614166 1033217365 /nfs/dbraw/zinc/21/73/65/1033217365.db2.gz ANTLYTWEVARJAQ-UHFFFAOYSA-N -1 0 335.473 3.853 20 0 EHADRM CC(C)N(Cc1c([O-])nnn1-c1ccccc1)Cc1ccccc1F ZINC000346229424 1024543083 /nfs/dbraw/zinc/54/30/83/1024543083.db2.gz BRAZPACYZXXDQF-UHFFFAOYSA-N -1 0 340.402 3.523 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2noc3ccc(Cl)cc32)c1F ZINC000427636867 1024580713 /nfs/dbraw/zinc/58/07/13/1024580713.db2.gz DLNBIWKWFBIUNB-UHFFFAOYSA-N -1 0 340.763 3.730 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cn2)s1 ZINC000346413965 1024701673 /nfs/dbraw/zinc/70/16/73/1024701673.db2.gz UBMWYRJNDRHKAV-UHFFFAOYSA-N -1 0 336.360 3.525 20 0 EHADRM CCC(=O)Nc1ccc(C)c(NC(=O)CC2(C(=O)[O-])CCCCC2)c1 ZINC000327354915 1024740583 /nfs/dbraw/zinc/74/05/83/1024740583.db2.gz GGGNHSCPDYLMIY-UHFFFAOYSA-N -1 0 346.427 3.707 20 0 EHADRM CCn1ncc(C(=O)Nc2cc(C(C)=O)ccc2[O-])c1-c1ccccc1 ZINC000427705496 1024745542 /nfs/dbraw/zinc/74/55/42/1024745542.db2.gz IZHHPHLOFQMCSI-UHFFFAOYSA-N -1 0 349.390 3.731 20 0 EHADRM CCc1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)sc1C ZINC000427715198 1024751338 /nfs/dbraw/zinc/75/13/38/1024751338.db2.gz XNZAGJWCSZDTRL-JKSUJKDBSA-N -1 0 343.448 3.559 20 0 EHADRM CCc1cc([N-]S(=O)(=O)c2cc(COC)ccc2OC)ccc1C ZINC000507884613 1024760108 /nfs/dbraw/zinc/76/01/08/1024760108.db2.gz AJPJSFUABKMQJW-UHFFFAOYSA-N -1 0 349.452 3.513 20 0 EHADRM Cc1cccc(S([O-])=CC(=O)N[C@@H](C)c2ccccc2Cl)c1 ZINC000108103171 1024762690 /nfs/dbraw/zinc/76/26/90/1024762690.db2.gz PSCRYYKKOCPNEJ-XMHCIUCPSA-N -1 0 335.856 3.633 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ncc(-c3cccnc3)s2)cc1 ZINC000508081248 1024881208 /nfs/dbraw/zinc/88/12/08/1024881208.db2.gz BVOJCVCYVBHGNN-UHFFFAOYSA-N -1 0 345.449 3.568 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)CCC(=O)c1csc2ccccc12 ZINC000427977997 1024920112 /nfs/dbraw/zinc/92/01/12/1024920112.db2.gz BBKMPZJGIWHOQY-UHFFFAOYSA-N -1 0 347.436 3.624 20 0 EHADRM CCCCCOc1ccc(S(=O)(=O)[N-]c2cc(C3CC3)[nH]n2)cc1 ZINC000474425090 1024942579 /nfs/dbraw/zinc/94/25/79/1024942579.db2.gz IQMSWKNBENMOLB-UHFFFAOYSA-N -1 0 349.456 3.657 20 0 EHADRM CC[C@H](NC(=O)N1CCCCC[C@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000684718603 1024957767 /nfs/dbraw/zinc/95/77/67/1024957767.db2.gz ZFMHPGGUMGUZKJ-GJZGRUSLSA-N -1 0 338.835 3.830 20 0 EHADRM C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474445126 1024980904 /nfs/dbraw/zinc/98/09/04/1024980904.db2.gz KKKDQCPURAFRSK-MRVPVSSYSA-N -1 0 327.714 3.730 20 0 EHADRM CC(C)C[C@H](C(=O)[O-])N(C)C(=O)NCCc1cccc2ccccc21 ZINC000684723361 1025026586 /nfs/dbraw/zinc/02/65/86/1025026586.db2.gz SSAXXAQSHBTSFB-GOSISDBHSA-N -1 0 342.439 3.523 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)N1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC000684724673 1025042659 /nfs/dbraw/zinc/04/26/59/1025042659.db2.gz CLLMXGQNKQPDDG-VYDXJSESSA-N -1 0 346.471 3.638 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)N1CCCCC[C@H]1C(=O)[O-] ZINC000684725438 1025051735 /nfs/dbraw/zinc/05/17/35/1025051735.db2.gz HBJXHWDCHWBEIC-RDJZCZTQSA-N -1 0 346.471 3.782 20 0 EHADRM Cc1cccc(-c2cccc(CNC(=O)N(CC(=O)[O-])C(C)C)c2)c1 ZINC000684729079 1025074133 /nfs/dbraw/zinc/07/41/33/1025074133.db2.gz NQCCGCVLPKIOEG-UHFFFAOYSA-N -1 0 340.423 3.667 20 0 EHADRM Cc1cc(C)cc([C@@H](C)NC(=O)N(CC(=O)[O-])C2CCCCC2)c1 ZINC000684730471 1025076539 /nfs/dbraw/zinc/07/65/39/1025076539.db2.gz FMXOQHVDPPKRBS-OAHLLOKOSA-N -1 0 332.444 3.793 20 0 EHADRM COc1cc(C)ccc1[N-]S(=O)(=O)c1cccc2cc(C)cnc21 ZINC000071977821 1025097414 /nfs/dbraw/zinc/09/74/14/1025097414.db2.gz KBUHIDIYVDQPLE-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM CCOc1cccc([N-]S(=O)(=O)c2ccc(C)cc2Cl)c1 ZINC000071977676 1025097621 /nfs/dbraw/zinc/09/76/21/1025097621.db2.gz CVFRKVSUJHBCEU-UHFFFAOYSA-N -1 0 325.817 3.848 20 0 EHADRM Cc1ccc([C@H](C)CNC(=O)N(CC(=O)[O-])C2CCCCC2)cc1 ZINC000684736508 1025120749 /nfs/dbraw/zinc/12/07/49/1025120749.db2.gz SKYDBPNABCONAT-OAHLLOKOSA-N -1 0 332.444 3.527 20 0 EHADRM CO[C@H](C)c1nc(=NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)s[n-]1 ZINC000511061149 1025125287 /nfs/dbraw/zinc/12/52/87/1025125287.db2.gz BYDIWDAMXVRDGW-QWHCGFSZSA-N -1 0 347.484 3.608 20 0 EHADRM CCc1csc(CC(=O)Nc2cc(Cl)c([O-])c(Cl)c2)n1 ZINC000346818045 1025146194 /nfs/dbraw/zinc/14/61/94/1025146194.db2.gz COGYNGWGYAOHGZ-UHFFFAOYSA-N -1 0 331.224 3.899 20 0 EHADRM CC(C)n1c(=N)[n-]nc1SCc1nc(-c2ccccc2)cs1 ZINC000435784937 1025148835 /nfs/dbraw/zinc/14/88/35/1025148835.db2.gz KQXPLHFAIIBLMC-UHFFFAOYSA-N -1 0 331.470 3.687 20 0 EHADRM COCc1nc(=NCc2ccc(C)cc2O[C@@H](C)CC(C)C)s[n-]1 ZINC000467437690 1025157083 /nfs/dbraw/zinc/15/70/83/1025157083.db2.gz JFZFBRLECPYTNS-AWEZNQCLSA-N -1 0 349.500 3.840 20 0 EHADRM CCC[C@](C)(NC(=O)Nc1ccc(OC(C)C)c(Cl)c1)C(=O)[O-] ZINC000515358802 1025193335 /nfs/dbraw/zinc/19/33/35/1025193335.db2.gz HSMAZICAFCYJFC-INIZCTEOSA-N -1 0 342.823 3.892 20 0 EHADRM COc1ccccc1-n1ncc(C)c1Nc1cc(C)cc(C(=O)[O-])c1 ZINC001211539367 1025204055 /nfs/dbraw/zinc/20/40/55/1025204055.db2.gz SUZITJLJTIPAGZ-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM CCC[C@H](C(=O)Nc1cc(C(=O)OC)ccc1O)c1ccccc1 ZINC000505721366 1025205021 /nfs/dbraw/zinc/20/50/21/1025205021.db2.gz YZLFNVBIZBZTGQ-HNNXBMFYSA-N -1 0 327.380 3.701 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1cc(C)c(Cl)c(C)c1 ZINC000442218101 1025217429 /nfs/dbraw/zinc/21/74/29/1025217429.db2.gz LBNKRTURVPCZMX-UHFFFAOYSA-N -1 0 331.846 3.828 20 0 EHADRM CC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)cc(F)c2F)cc1 ZINC000442238270 1025222113 /nfs/dbraw/zinc/22/21/13/1025222113.db2.gz QUHQIYIZAFDNKX-UHFFFAOYSA-N -1 0 345.754 3.622 20 0 EHADRM CCc1nc2cc(NC(=O)N(CC(=O)[O-])C3CCCCC3)ccc2o1 ZINC000684746101 1025224898 /nfs/dbraw/zinc/22/48/98/1025224898.db2.gz OFDAVYNOZYFUNQ-UHFFFAOYSA-N -1 0 345.399 3.641 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)N2CCCCC[C@H]2C(=O)[O-])c1 ZINC000684748019 1025247487 /nfs/dbraw/zinc/24/74/87/1025247487.db2.gz YIOMIGXGJARDML-KRWDZBQOSA-N -1 0 348.443 3.973 20 0 EHADRM CC1=C[C@H](C)CN(C(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])C1 ZINC000436010506 1025289923 /nfs/dbraw/zinc/28/99/23/1025289923.db2.gz KPQDRRXICSQPTJ-AWEZNQCLSA-N -1 0 339.439 3.740 20 0 EHADRM CC[C@H](CCO)N=c1[n-]nc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000444070687 1025301691 /nfs/dbraw/zinc/30/16/91/1025301691.db2.gz KKQMKIDQRVEWRO-LLVKDONJSA-N -1 0 332.256 3.507 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCc1ccc(Cl)cc1 ZINC000262372561 1025358582 /nfs/dbraw/zinc/35/85/82/1025358582.db2.gz KFJOUFMMODFDDQ-IMJJTQAJSA-N -1 0 335.831 3.517 20 0 EHADRM C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC000614727533 1025365015 /nfs/dbraw/zinc/36/50/15/1025365015.db2.gz HSDZYJWFTQECGG-IUODEOHRSA-N -1 0 337.379 3.542 20 0 EHADRM CCCC[C@@H](NC(=O)N[C@@H](C)c1oc2ccccc2c1C)C(=O)[O-] ZINC000521417002 1025378422 /nfs/dbraw/zinc/37/84/22/1025378422.db2.gz ISULNLOZYMQICM-GXTWGEPZSA-N -1 0 332.400 3.745 20 0 EHADRM CC1(C)C(=O)Nc2cc(C(=O)Nc3cc(F)cc(Cl)c3[O-])ccc21 ZINC000347022028 1025426777 /nfs/dbraw/zinc/42/67/77/1025426777.db2.gz MJAROZIQGHEVMI-UHFFFAOYSA-N -1 0 348.761 3.667 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)CCCCOc1cc(C)ccc1C ZINC000442741822 1025461196 /nfs/dbraw/zinc/46/11/96/1025461196.db2.gz NVFOXGFSBXVZHB-MRXNPFEDSA-N -1 0 335.444 3.564 20 0 EHADRM CCCOc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)c(C)c1 ZINC000515697446 1025503233 /nfs/dbraw/zinc/50/32/33/1025503233.db2.gz QGPNHVDEFJFWTF-UHFFFAOYSA-N -1 0 341.379 3.863 20 0 EHADRM CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3sccc3C)cc2O1 ZINC000442843494 1025516378 /nfs/dbraw/zinc/51/63/78/1025516378.db2.gz KADQZZNYHFHCKK-OAHLLOKOSA-N -1 0 339.438 3.755 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2Cl)cc1 ZINC000347104601 1025529852 /nfs/dbraw/zinc/52/98/52/1025529852.db2.gz AVZCVHYJIAXJSO-QWHCGFSZSA-N -1 0 347.773 3.848 20 0 EHADRM CC(C)Oc1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1 ZINC000034377831 1025556652 /nfs/dbraw/zinc/55/66/52/1025556652.db2.gz PLQHBATTYPSQJC-UHFFFAOYSA-N -1 0 342.420 3.823 20 0 EHADRM CC(C)(CCC(=O)[O-])Nc1ncc(F)c(Oc2ccccc2F)n1 ZINC000530250768 1025557757 /nfs/dbraw/zinc/55/77/57/1025557757.db2.gz OKWHFNJWIPPJAW-UHFFFAOYSA-N -1 0 337.326 3.602 20 0 EHADRM O=C([O-])[C@@H](CC(=O)N[C@H](c1ccco1)c1ccccc1)c1ccccc1 ZINC000054500350 1025659490 /nfs/dbraw/zinc/65/94/90/1025659490.db2.gz CMSVCWYTQATLQX-PXNSSMCTSA-N -1 0 349.386 3.744 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)Cc2cccc(C(F)F)c2)C1 ZINC000909494653 1025665432 /nfs/dbraw/zinc/66/54/32/1025665432.db2.gz DJKIZYNFXXBWFP-AWEZNQCLSA-N -1 0 339.382 3.516 20 0 EHADRM Cc1ccnc2ccc(C(=O)N3CCC[C@@H](C(C)(C)C(=O)[O-])C3)cc12 ZINC000909495010 1025669954 /nfs/dbraw/zinc/66/99/54/1025669954.db2.gz LFYIALDJPQZYOX-OAHLLOKOSA-N -1 0 340.423 3.506 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cccc3cccc(O)c32)C1 ZINC000909495305 1025711928 /nfs/dbraw/zinc/71/19/28/1025711928.db2.gz PPUPZUGGRDGYIP-AWEZNQCLSA-N -1 0 341.407 3.508 20 0 EHADRM CCCC[C@@H](NC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)[O-] ZINC000347255026 1025739483 /nfs/dbraw/zinc/73/94/83/1025739483.db2.gz DJHIKRPJYDCMBK-CYBMUJFWSA-N -1 0 345.420 3.681 20 0 EHADRM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2cccc(Br)c2[O-])C1 ZINC000530404329 1025771583 /nfs/dbraw/zinc/77/15/83/1025771583.db2.gz AWSWGNOFRZLLEB-VWYCJHECSA-N -1 0 326.234 3.661 20 0 EHADRM O=C([O-])CCCc1ccc(-c2ccc(O[C@@H]3CCOC3)cc2)s1 ZINC000582312333 1025824615 /nfs/dbraw/zinc/82/46/15/1025824615.db2.gz UPCXNGFWZHFQIC-OAHLLOKOSA-N -1 0 332.421 3.990 20 0 EHADRM COc1ccc(N(CC(C)C)C(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000436536346 1025843658 /nfs/dbraw/zinc/84/36/58/1025843658.db2.gz PVNRCDUZISFQHP-UHFFFAOYSA-N -1 0 335.350 3.982 20 0 EHADRM O=C(N[C@@H]1CCCOC1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436558633 1025881457 /nfs/dbraw/zinc/88/14/57/1025881457.db2.gz QXORGXDETKPMHJ-CQSZACIVSA-N -1 0 331.799 3.621 20 0 EHADRM CC[C@H](NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000324450570 1025886496 /nfs/dbraw/zinc/88/64/96/1025886496.db2.gz VLYRBZGNPAYBSC-FXAWDEMLSA-N -1 0 325.408 3.687 20 0 EHADRM CN(Cc1cc(F)cc(F)c1)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436600429 1025933952 /nfs/dbraw/zinc/93/39/52/1025933952.db2.gz DZRZMFCWZGCMKV-UHFFFAOYSA-N -1 0 329.705 3.735 20 0 EHADRM CCCc1nc(=N[C@@H](CC)c2nc(C(F)(F)F)cs2)s[n-]1 ZINC000461964718 1025953597 /nfs/dbraw/zinc/95/35/97/1025953597.db2.gz KZHUGCWFNQTXID-ZETCQYMHSA-N -1 0 336.408 3.951 20 0 EHADRM Cc1ccc(-c2cccnc2)cc1NC(=O)C(=O)c1ccc(O)cc1 ZINC000436630044 1025958220 /nfs/dbraw/zinc/95/82/20/1025958220.db2.gz YVEVYFJIRHOXCD-UHFFFAOYSA-N -1 0 332.359 3.584 20 0 EHADRM O=C(CCc1ccccc1Cl)N=c1nc(-c2ccccc2)[n-]s1 ZINC000614689278 1025973764 /nfs/dbraw/zinc/97/37/64/1025973764.db2.gz QLHFASAVJVHUIJ-UHFFFAOYSA-N -1 0 343.839 3.852 20 0 EHADRM Cc1ncn(-c2ccc(NC(=O)c3cc(F)c([O-])c(F)c3)cc2)c1C ZINC000436640497 1025989119 /nfs/dbraw/zinc/98/91/19/1025989119.db2.gz IMCJMIICRRPREH-UHFFFAOYSA-N -1 0 343.333 3.725 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccc(C)c(C(C)=O)c2)c1 ZINC000436642266 1025991948 /nfs/dbraw/zinc/99/19/48/1025991948.db2.gz AIBLKMXBZDOJOL-UHFFFAOYSA-N -1 0 325.364 3.748 20 0 EHADRM CCCc1nc(C)c([N-]S(=O)(=O)c2cccc(OCC)c2)s1 ZINC000443406698 1026004431 /nfs/dbraw/zinc/00/44/31/1026004431.db2.gz NBCUNIPJJXTVMD-UHFFFAOYSA-N -1 0 340.470 3.604 20 0 EHADRM CCC[C@](C)(NC(=O)Nc1ccc(OC2CCCC2)cc1)C(=O)[O-] ZINC000582379166 1026007406 /nfs/dbraw/zinc/00/74/06/1026007406.db2.gz VKSRDEMSTDNAPL-SFHVURJKSA-N -1 0 334.416 3.773 20 0 EHADRM CCc1sc(C(=O)N=c2nc(-c3ccccc3)[n-]s2)cc1C ZINC000614688972 1026008116 /nfs/dbraw/zinc/00/81/16/1026008116.db2.gz OLCJCMLIWVZFDO-UHFFFAOYSA-N -1 0 329.450 3.812 20 0 EHADRM CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000436671440 1026011919 /nfs/dbraw/zinc/01/19/19/1026011919.db2.gz JFJQOUVTPNDLOO-LLVKDONJSA-N -1 0 346.814 3.826 20 0 EHADRM COc1cc(C)cc(CNC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)c1 ZINC000443422035 1026021355 /nfs/dbraw/zinc/02/13/55/1026021355.db2.gz ZZOKTHPTTDCJCF-HXUWFJFHSA-N -1 0 347.455 3.681 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C[C@@H]2CCOc3ccccc32)c1 ZINC000436661875 1026023620 /nfs/dbraw/zinc/02/36/20/1026023620.db2.gz ZPLHEUVASJJMJZ-ZDUSSCGKSA-N -1 0 339.391 3.880 20 0 EHADRM Cc1cccc(C(=O)Nc2ccc(-c3n[nH]c(C4CC4)n3)cc2)c1O ZINC000436690364 1026046991 /nfs/dbraw/zinc/04/69/91/1026046991.db2.gz UTZXSUJJJJEDFT-UHFFFAOYSA-N -1 0 334.379 3.615 20 0 EHADRM C[C@@H](NC(=O)N=c1[n-]nc(C(C)(C)C)s1)c1cccc(Cl)c1 ZINC000436696863 1026055866 /nfs/dbraw/zinc/05/58/66/1026055866.db2.gz JQLRTDIRMRXKSD-SECBINFHSA-N -1 0 338.864 3.794 20 0 EHADRM CC(C)c1ccccc1NC(=O)c1c[n-]n(-c2ccc(F)cc2)c1=O ZINC000121993454 1026071297 /nfs/dbraw/zinc/07/12/97/1026071297.db2.gz ARTCMFCPHVJMJU-MRXNPFEDSA-N -1 0 339.370 3.536 20 0 EHADRM O=C(NCC1=CCCOC1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436741946 1026110696 /nfs/dbraw/zinc/11/06/96/1026110696.db2.gz VCDZWOCBXMTPOH-UHFFFAOYSA-N -1 0 343.810 3.789 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])[C@@H](C)CO1 ZINC000436761142 1026130128 /nfs/dbraw/zinc/13/01/28/1026130128.db2.gz WJUYAXVPVLTWPZ-STQMWFEESA-N -1 0 345.826 3.962 20 0 EHADRM O=C(Nc1nc(-c2ccc[nH]2)cs1)c1cc(F)cc(Cl)c1[O-] ZINC000436775179 1026149194 /nfs/dbraw/zinc/14/91/94/1026149194.db2.gz YXOOVKSDHJQJGX-UHFFFAOYSA-N -1 0 337.763 3.889 20 0 EHADRM CCC(CC)(NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000342539866 1026179212 /nfs/dbraw/zinc/17/92/12/1026179212.db2.gz DDEHXRCTSRYCRL-WDEREUQCSA-N -1 0 344.238 3.857 20 0 EHADRM CCc1cccc(CC)c1NC(=S)NNc1ccc(C(=O)[O-])cc1 ZINC000007521979 1026339307 /nfs/dbraw/zinc/33/93/07/1026339307.db2.gz VHGYMMLLOBSZCG-UHFFFAOYSA-N -1 0 343.452 3.823 20 0 EHADRM Cc1ccc(O[C@@H](C)C(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)cc1 ZINC000324832018 1026341167 /nfs/dbraw/zinc/34/11/67/1026341167.db2.gz ZEIQYRBDQQAUHR-AWEZNQCLSA-N -1 0 327.380 3.716 20 0 EHADRM O=c1[n-]nc(O[C@H]2CC[C@H](C(F)(F)F)CC2)c(Cl)c1Cl ZINC001227601779 1026345223 /nfs/dbraw/zinc/34/52/23/1026345223.db2.gz GXDFSWZWGSYOHL-IZLXSQMJSA-N -1 0 331.121 3.989 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(C(C)(C)C)no2)c1 ZINC000530938080 1026421944 /nfs/dbraw/zinc/42/19/44/1026421944.db2.gz JEIGLYRXZJYICF-UHFFFAOYSA-N -1 0 345.424 3.630 20 0 EHADRM O=C(c1cc(Cl)cc(Br)c1[O-])N1C2CCC1CC2 ZINC000530982336 1026456487 /nfs/dbraw/zinc/45/64/87/1026456487.db2.gz IYBCLWDHGKFNMV-UHFFFAOYSA-N -1 0 330.609 3.575 20 0 EHADRM C[C@H](NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)c1ccc(Cl)cc1 ZINC000324914005 1026486230 /nfs/dbraw/zinc/48/62/30/1026486230.db2.gz XZYPRUGVZKUNGQ-DJJJIMSYSA-N -1 0 345.826 3.950 20 0 EHADRM O=C(NCc1csc(-c2ccccc2)n1)c1c([O-])cc(F)cc1F ZINC000127809726 1026538516 /nfs/dbraw/zinc/53/85/16/1026538516.db2.gz VSCNAAQEMVESTP-UHFFFAOYSA-N -1 0 346.358 3.724 20 0 EHADRM Cc1ccc(C)c(C(=O)CCC(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000192871222 1026542535 /nfs/dbraw/zinc/54/25/35/1026542535.db2.gz STYKASZTUHSFLK-UHFFFAOYSA-N -1 0 325.364 3.603 20 0 EHADRM CC[C@@H](C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-])c1ccccc1 ZINC000192888115 1026587270 /nfs/dbraw/zinc/58/72/70/1026587270.db2.gz GVMAJSGLCVMDIN-QFBILLFUSA-N -1 0 339.435 3.930 20 0 EHADRM COC(=O)[C@H]1CCc2cc(Nc3cc(C)cc(C(=O)[O-])c3)ccc21 ZINC001211548993 1026596647 /nfs/dbraw/zinc/59/66/47/1026596647.db2.gz CZASIMYALNMDHY-KRWDZBQOSA-N -1 0 325.364 3.640 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1cc3c(s1)CCCC3)CC2 ZINC000325271882 1026602844 /nfs/dbraw/zinc/60/28/44/1026602844.db2.gz QLLDIJREROUTDV-UHFFFAOYSA-N -1 0 341.432 3.524 20 0 EHADRM CCC1(C(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)CCCCC1 ZINC000582608936 1026730193 /nfs/dbraw/zinc/73/01/93/1026730193.db2.gz FMSBFGYTKWCTOA-FQEVSTJZSA-N -1 0 329.440 3.602 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)CCC1 ZINC000262499476 1026754580 /nfs/dbraw/zinc/75/45/80/1026754580.db2.gz KMCHJHNNSAHJTH-UHFFFAOYSA-N -1 0 349.390 3.813 20 0 EHADRM COCCc1nc(=N[C@H]2CC[C@H](c3ccc(Cl)cc3)C2)s[n-]1 ZINC000413513808 1026873171 /nfs/dbraw/zinc/87/31/71/1026873171.db2.gz IXVVMJUUAJDSLF-JSGCOSHPSA-N -1 0 337.876 3.551 20 0 EHADRM C[C@H]1[C@@H](O)CCCN1C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000452712349 1026958278 /nfs/dbraw/zinc/95/82/78/1026958278.db2.gz JEUCUSQEYOPRHD-SJCJKPOMSA-N -1 0 345.826 3.698 20 0 EHADRM CC[C@@H]1[C@H](C)CCN1C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000501186590 1027130109 /nfs/dbraw/zinc/13/01/09/1027130109.db2.gz NFFFRRIXMPIJRJ-RHSMWYFYSA-N -1 0 341.455 3.962 20 0 EHADRM CC(C)(C)CCS(=O)(=O)[N-][C@H](c1cc(F)ccc1F)C(F)F ZINC000577342081 1027132212 /nfs/dbraw/zinc/13/22/12/1027132212.db2.gz PEVBSCUENPNBDC-GFCCVEGCSA-N -1 0 341.370 3.627 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000531674528 1027194868 /nfs/dbraw/zinc/19/48/68/1027194868.db2.gz PVTLKNWMNVDBTQ-UHFFFAOYSA-N -1 0 336.848 3.545 20 0 EHADRM CCCCN1CCc2ccc(N=c3nc([C@H](C)OC)[n-]s3)cc21 ZINC000509542892 1027220305 /nfs/dbraw/zinc/22/03/05/1027220305.db2.gz NRJUYOMVGSCKPB-LBPRGKRZSA-N -1 0 332.473 3.574 20 0 EHADRM CC(C)(C(=O)[N-]OCc1ccc(C(F)(F)F)cn1)c1ccccc1 ZINC000273124037 1027276481 /nfs/dbraw/zinc/27/64/81/1027276481.db2.gz FGKNHESGICPSEW-UHFFFAOYSA-N -1 0 338.329 3.626 20 0 EHADRM CN(C(=O)N=c1[n-]nc(C2CC2)s1)C1CCC(C(C)(C)C)CC1 ZINC000548759907 1027295916 /nfs/dbraw/zinc/29/59/16/1027295916.db2.gz HVJUWDHEDOUJBG-UHFFFAOYSA-N -1 0 336.505 3.906 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NCc2cnc(CC(C)C)s2)o1 ZINC000453053387 1027296197 /nfs/dbraw/zinc/29/61/97/1027296197.db2.gz TZHRXJFHNASIKR-UHFFFAOYSA-N -1 0 346.431 3.873 20 0 EHADRM Cc1cccc(CCC(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])c1 ZINC000531745378 1027297969 /nfs/dbraw/zinc/29/79/69/1027297969.db2.gz FAHCCQJFUOGURK-QGZVFWFLSA-N -1 0 339.435 3.677 20 0 EHADRM C[C@H](NC(=O)CC1(C(=O)[O-])CCCCC1)c1cccc(F)c1F ZINC000536563002 1027363855 /nfs/dbraw/zinc/36/38/55/1027363855.db2.gz ZDUVCHALAPRZBJ-NSHDSACASA-N -1 0 325.355 3.567 20 0 EHADRM CCCOCc1ccccc1CNC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000077589169 1027433332 /nfs/dbraw/zinc/43/33/32/1027433332.db2.gz ACTPDJMTOZIHPA-UHFFFAOYSA-N -1 0 347.455 3.655 20 0 EHADRM Cc1nc(-c2ccc(N3CCC[C@H](C(C)C)CC3)nc2)[nH]c(=O)c1C ZINC000078261590 1027575450 /nfs/dbraw/zinc/57/54/50/1027575450.db2.gz RXHJDOAXFLYEOS-INIZCTEOSA-N -1 0 340.471 3.711 20 0 EHADRM O=C([O-])C1(CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)CCC1 ZINC000262520360 1027576979 /nfs/dbraw/zinc/57/69/79/1027576979.db2.gz NSAOTQQMKVQNIR-LJQANCHMSA-N -1 0 349.430 3.806 20 0 EHADRM c1ccc([C@@H]2OCC[C@H]2CN=c2nc(C3CCCC3)[n-]s2)cc1 ZINC000420613791 1027644416 /nfs/dbraw/zinc/64/44/16/1027644416.db2.gz TXLORQJQDVVJQQ-HOTGVXAUSA-N -1 0 329.469 3.807 20 0 EHADRM CN(C(=O)N=c1[n-]nc(C2CC2)s1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000582771020 1027654123 /nfs/dbraw/zinc/65/41/23/1027654123.db2.gz NGTCRAJXSWKXLE-CABCVRRESA-N -1 0 342.468 3.637 20 0 EHADRM CCOc1ccc(C(F)(F)F)cc1NC(=O)CC1(C(=O)[O-])CCC1 ZINC000262528642 1027698499 /nfs/dbraw/zinc/69/84/99/1027698499.db2.gz PEHONLPTVCSPAU-UHFFFAOYSA-N -1 0 345.317 3.688 20 0 EHADRM CN(CC(=O)[O-])c1ccc(-c2nc(-c3ccc4occc4c3)no2)cc1 ZINC001211942862 1027773514 /nfs/dbraw/zinc/77/35/14/1027773514.db2.gz TWSYAWSGYDXBAA-UHFFFAOYSA-N -1 0 349.346 3.671 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000643428203 1027775469 /nfs/dbraw/zinc/77/54/69/1027775469.db2.gz DDLSJQDKUIQRCI-IJLUTSLNSA-N -1 0 329.421 3.652 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CC[C@H]2OCCC[C@H]2C1 ZINC000132064874 1027854593 /nfs/dbraw/zinc/85/45/93/1027854593.db2.gz ZGJALVHBQSGQSZ-YVEFUNNKSA-N -1 0 345.826 3.840 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2cccnc2Br)c1 ZINC001211958283 1028166243 /nfs/dbraw/zinc/16/62/43/1028166243.db2.gz JBNXNRYTJNNHRX-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM CC[C@H](C)[C@@H](C)C(=O)NCc1c(C(=O)[O-])sc2ccsc21 ZINC000431506191 1028279943 /nfs/dbraw/zinc/27/99/43/1028279943.db2.gz GKVFNMUCCXHBSM-DTWKUNHWSA-N -1 0 325.455 3.959 20 0 EHADRM C[C@@H]1C[C@H](CC(F)(F)F)[C@H](C)N1C(=O)c1ccc(C(=O)[O-])s1 ZINC000630322737 1028438099 /nfs/dbraw/zinc/43/80/99/1028438099.db2.gz VOKAQBBZBRBRAW-HRDYMLBCSA-N -1 0 335.347 3.638 20 0 EHADRM CCCc1nc(=NC(=O)c2cc(C3CC3)nc3ccccc32)s[n-]1 ZINC000502625020 1028447313 /nfs/dbraw/zinc/44/73/13/1028447313.db2.gz HGJGVSVALSSKQM-UHFFFAOYSA-N -1 0 338.436 3.590 20 0 EHADRM Cc1cc2occ(CC(=O)N3CC[C@](C)(C(=O)[O-])C3)c2cc1C(C)C ZINC000236700290 1028565862 /nfs/dbraw/zinc/56/58/62/1028565862.db2.gz VMGSZTNJJMSQLH-FQEVSTJZSA-N -1 0 343.423 3.730 20 0 EHADRM CN(Cc1nc2ccccc2s1)C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000583026741 1028570466 /nfs/dbraw/zinc/57/04/66/1028570466.db2.gz LVBYESJTBJGZEF-UHFFFAOYSA-N -1 0 346.452 3.536 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ccccc2OC(C)(C)C)c(C)c1 ZINC000523730937 1028574497 /nfs/dbraw/zinc/57/44/97/1028574497.db2.gz PRTWCKHRYMWQJO-UHFFFAOYSA-N -1 0 349.452 3.982 20 0 EHADRM CC(C)C[C@@H](NC(=O)CCCc1csc2ccccc12)C(=O)[O-] ZINC000236764564 1028580349 /nfs/dbraw/zinc/58/03/49/1028580349.db2.gz MEOIFQAPJXSTEL-OAHLLOKOSA-N -1 0 333.453 3.840 20 0 EHADRM CCC(CC)(C(=O)OC)c1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000504437522 1028640692 /nfs/dbraw/zinc/64/06/92/1028640692.db2.gz AXJUXVMMUXHVQF-UHFFFAOYSA-N -1 0 333.409 3.739 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N(C)Cc1ccccc1)C(=O)[O-] ZINC000237366838 1028646912 /nfs/dbraw/zinc/64/69/12/1028646912.db2.gz OJCPPZFJMMCTSU-CYBMUJFWSA-N -1 0 329.421 3.524 20 0 EHADRM COc1cccc(/C(C)=C/C(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC000237355837 1028683888 /nfs/dbraw/zinc/68/38/88/1028683888.db2.gz RNIZRYAGNIUQPI-UKTHLTGXSA-N -1 0 325.364 3.744 20 0 EHADRM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2ccccc2C(F)F)no1 ZINC000424078144 1028778003 /nfs/dbraw/zinc/77/80/03/1028778003.db2.gz CXZRLUMEECYRHE-UHFFFAOYSA-N -1 0 344.383 3.852 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@H]2CCC[C@H]2C(=O)[O-])c(Cl)c1 ZINC000634831246 1028782164 /nfs/dbraw/zinc/78/21/64/1028782164.db2.gz UARFKJKOXBTKPQ-NWDGAFQWSA-N -1 0 325.792 3.567 20 0 EHADRM Cc1cc(C(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)ccc1F ZINC000504674230 1028812183 /nfs/dbraw/zinc/81/21/83/1028812183.db2.gz XOEXGODKHXKEMI-UHFFFAOYSA-N -1 0 347.802 3.980 20 0 EHADRM C[C@@H]([N-]S(=O)(=O)c1sc2ccccc2c1Cl)C(F)(F)F ZINC000424210264 1028872161 /nfs/dbraw/zinc/87/21/61/1028872161.db2.gz CTPWEBUFSPGZLD-ZCFIWIBFSA-N -1 0 343.779 3.784 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cnc(-c3ccccc3)nc2)c1 ZINC000583117634 1028883890 /nfs/dbraw/zinc/88/38/90/1028883890.db2.gz CPSBRPNSWOAZFO-UHFFFAOYSA-N -1 0 347.374 3.694 20 0 EHADRM COc1cc(-c2nc(-c3ccc(Cl)s3)no2)cc(OC)c1O ZINC000445558112 1028919653 /nfs/dbraw/zinc/91/96/53/1028919653.db2.gz NBFQGNNRGGMTQQ-UHFFFAOYSA-N -1 0 338.772 3.841 20 0 EHADRM COc1ccc(-c2nc(CN3CCC[C@H](C)[C@@H]3C(=O)[O-])cs2)cc1 ZINC000424271149 1028943846 /nfs/dbraw/zinc/94/38/46/1028943846.db2.gz ORLZSMNCBPGWFG-BLLLJJGKSA-N -1 0 346.452 3.504 20 0 EHADRM [O-]c1ccc(-c2nc(CCc3ccc4c(c3)CCO4)no2)cc1Cl ZINC000445605548 1028968112 /nfs/dbraw/zinc/96/81/12/1028968112.db2.gz SICWTJUERVIYBT-UHFFFAOYSA-N -1 0 342.782 3.816 20 0 EHADRM Brc1cccc([C@@H]2C[C@@H]2N=c2[n-]nc(C3CC3)s2)c1 ZINC000532883357 1028975604 /nfs/dbraw/zinc/97/56/04/1028975604.db2.gz IHWICXXSCNHHKR-RYUDHWBXSA-N -1 0 336.258 3.568 20 0 EHADRM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(OC(C)C)nc1 ZINC000614879724 1029016835 /nfs/dbraw/zinc/01/68/35/1029016835.db2.gz ORDUTSRTUSZPNC-UHFFFAOYSA-N -1 0 340.832 3.631 20 0 EHADRM CC(C)c1noc(=NCc2ccc(COCc3ccccc3)cc2)[n-]1 ZINC000524242496 1029020288 /nfs/dbraw/zinc/02/02/88/1029020288.db2.gz YVGCYOLIVVYATL-UHFFFAOYSA-N -1 0 337.423 3.944 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1ccc(C(=O)C2CCC2)cc1)C(=O)[O-] ZINC000424395035 1029047165 /nfs/dbraw/zinc/04/71/65/1029047165.db2.gz YVBJAUYGMZEPRK-HNNXBMFYSA-N -1 0 346.427 3.538 20 0 EHADRM CC(C)C[C@H](CNC(=O)N(C)[C@H](C)c1cc2ccccc2o1)C(=O)[O-] ZINC000424424655 1029047553 /nfs/dbraw/zinc/04/75/53/1029047553.db2.gz PGMBPYZVHPEMDV-UKRRQHHQSA-N -1 0 346.427 3.882 20 0 EHADRM CC(C)(C)[C@@H]1CN(C(=O)NCCC(C)(C)C(=O)[O-])c2ccccc21 ZINC000424408474 1029053274 /nfs/dbraw/zinc/05/32/74/1029053274.db2.gz VJFJNGWUKVDTLY-CQSZACIVSA-N -1 0 332.444 3.847 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)N=c2[n-]nc(C(F)F)s2)c2ccccc21 ZINC000454579551 1029059005 /nfs/dbraw/zinc/05/90/05/1029059005.db2.gz CJNLUHYWUXANJB-JTQLQIEISA-N -1 0 338.383 3.689 20 0 EHADRM CCN(C(=O)NCC(CC)(CC)C(=O)[O-])[C@H](C)c1ccc(F)cc1 ZINC000424417165 1029060064 /nfs/dbraw/zinc/06/00/64/1029060064.db2.gz WKEWQHBAHJCTPW-CYBMUJFWSA-N -1 0 338.423 3.809 20 0 EHADRM CCC(CC)(CNC(=O)N(Cc1ccccc1F)C(C)C)C(=O)[O-] ZINC000424436574 1029075994 /nfs/dbraw/zinc/07/59/94/1029075994.db2.gz XMWATCMWXKMPAM-UHFFFAOYSA-N -1 0 338.423 3.637 20 0 EHADRM CCCN(CC)c1ccc(C(=O)N=c2[n-]nc(C(C)(C)C)s2)cc1 ZINC000503140663 1029077924 /nfs/dbraw/zinc/07/79/24/1029077924.db2.gz PHTYRCWMLHUDFU-UHFFFAOYSA-N -1 0 346.500 3.746 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)NCc2ccccc2Cl)s1 ZINC000503161634 1029100209 /nfs/dbraw/zinc/10/02/09/1029100209.db2.gz NACRTRODXUZRGC-UHFFFAOYSA-N -1 0 338.864 3.668 20 0 EHADRM CCN(C(=O)C[C@@H](C(=O)[O-])c1ccccc1)[C@H](C)c1ccc(F)cc1 ZINC000634867869 1029174414 /nfs/dbraw/zinc/17/44/14/1029174414.db2.gz OBWUDZCBSOWZCK-RDTXWAMCSA-N -1 0 343.398 3.994 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl ZINC000237410111 1029181025 /nfs/dbraw/zinc/18/10/25/1029181025.db2.gz LYGXPKDLVDPFTL-BSPAPZMXSA-N -1 0 349.736 3.742 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)C(C)(C)CCC(=O)[O-])cc2)oc1C ZINC000634869942 1029184477 /nfs/dbraw/zinc/18/44/77/1029184477.db2.gz XOPYRHMXDICDFX-UHFFFAOYSA-N -1 0 330.384 3.788 20 0 EHADRM Cc1cccc(C(=O)/C(C#N)=C\c2ccc(OCCC(=O)[O-])cc2)c1C ZINC000067735307 1029318610 /nfs/dbraw/zinc/31/86/10/1029318610.db2.gz PVESILKQXBGKGE-ATVHPVEESA-N -1 0 349.386 3.947 20 0 EHADRM COc1cccnc1[N-]S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000524630587 1029388086 /nfs/dbraw/zinc/38/80/86/1029388086.db2.gz VVFBWGMYCVGLHS-UHFFFAOYSA-N -1 0 340.404 3.558 20 0 EHADRM CSCc1cccc([N-]S(=O)(=O)c2ccc(C)cc2F)c1 ZINC000524691733 1029448884 /nfs/dbraw/zinc/44/88/84/1029448884.db2.gz VSYBNDTZMRCAHI-UHFFFAOYSA-N -1 0 325.430 3.798 20 0 EHADRM CCc1ccc([C@@H]2CCCN2C(=O)c2cc(C(=O)[O-])c(CC)o2)o1 ZINC000261628864 1029463062 /nfs/dbraw/zinc/46/30/62/1029463062.db2.gz JDJGFCZHJHPVDE-ZDUSSCGKSA-N -1 0 331.368 3.673 20 0 EHADRM CCOc1cc(Cl)ccc1NC(=O)c1cc(C(=O)[O-])c(CC)o1 ZINC000261675159 1029479602 /nfs/dbraw/zinc/47/96/02/1029479602.db2.gz PSVPYSSTINAORV-UHFFFAOYSA-N -1 0 337.759 3.845 20 0 EHADRM CCc1oc(C(=O)N2[C@H](C)c3ccc(F)cc3C[C@@H]2C)cc1C(=O)[O-] ZINC000261676912 1029480819 /nfs/dbraw/zinc/48/08/19/1029480819.db2.gz QABAXBXFJWWPRU-WDEREUQCSA-N -1 0 345.370 3.827 20 0 EHADRM CCc1oc(C(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)cc1C(=O)[O-] ZINC000261737814 1029494019 /nfs/dbraw/zinc/49/40/19/1029494019.db2.gz ZCFVMKCGQOQVQW-YPMHNXCESA-N -1 0 331.368 3.747 20 0 EHADRM C[C@H](O)C[C@@H]1CCCCCN1C(=O)c1cc2ccccc2cc1O ZINC000286675382 1029532572 /nfs/dbraw/zinc/53/25/72/1029532572.db2.gz FRJIMULRXUQNLM-YOEHRIQHSA-N -1 0 327.424 3.701 20 0 EHADRM CC[C@@H](CC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000262225644 1029574389 /nfs/dbraw/zinc/57/43/89/1029574389.db2.gz RRONECYWDMUMQK-KXBFYZLASA-N -1 0 337.419 3.781 20 0 EHADRM C/C=C/C[C@H](NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000262687903 1029623468 /nfs/dbraw/zinc/62/34/68/1029623468.db2.gz BHHRGJPQLGNPIX-DWKGUQLISA-N -1 0 343.345 3.735 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C2(Cc3cccc(Cl)c3)CCCC2)C1 ZINC000262912613 1029650171 /nfs/dbraw/zinc/65/01/71/1029650171.db2.gz JYQLKHOBCGZSGZ-ZBFHGGJFSA-N -1 0 349.858 3.812 20 0 EHADRM CC(C)Sc1ccccc1NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263179652 1029671291 /nfs/dbraw/zinc/67/12/91/1029671291.db2.gz UBPVJJAPQQDDDE-OLZOCXBDSA-N -1 0 336.457 3.762 20 0 EHADRM COc1c(C)cc(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)cc1C ZINC000263182411 1029671662 /nfs/dbraw/zinc/67/16/62/1029671662.db2.gz HJMNVHSJUUHCDT-ZDUSSCGKSA-N -1 0 327.380 3.752 20 0 EHADRM Cc1ccc(CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)c(OCCC(C)C)c1 ZINC000263190851 1029673159 /nfs/dbraw/zinc/67/31/59/1029673159.db2.gz IOBOROQYLBRYDS-CVEARBPZSA-N -1 0 347.455 3.537 20 0 EHADRM Cc1c2cccc(Cl)c2oc1C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000263214527 1029674381 /nfs/dbraw/zinc/67/43/81/1029674381.db2.gz NVZPBXCHNWIYMP-KOLCDFICSA-N -1 0 335.787 3.720 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1 ZINC000263248373 1029679473 /nfs/dbraw/zinc/67/94/73/1029679473.db2.gz SNAPMYVWWPXQNQ-ZDUSSCGKSA-N -1 0 329.371 3.579 20 0 EHADRM CC(C)Oc1ccccc1CC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000263294462 1029684894 /nfs/dbraw/zinc/68/48/94/1029684894.db2.gz MUNGVWLHNGJZTG-CQSZACIVSA-N -1 0 341.407 3.843 20 0 EHADRM Cc1nc(C(=O)Nc2ccc(OC(C)(C)C)cc2)ccc1C(=O)[O-] ZINC000263358818 1029690224 /nfs/dbraw/zinc/69/02/24/1029690224.db2.gz SRJRFBJYFQALRM-UHFFFAOYSA-N -1 0 328.368 3.518 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000263367876 1029692065 /nfs/dbraw/zinc/69/20/65/1029692065.db2.gz WSQBHVHAUNJULE-SCLBCKFNSA-N -1 0 341.382 3.676 20 0 EHADRM CCOCCOCc1cccc(NCc2ccc(C(=O)[O-])cc2)c1 ZINC000263452069 1029699489 /nfs/dbraw/zinc/69/94/89/1029699489.db2.gz GLTFSZKDGCNYBJ-UHFFFAOYSA-N -1 0 329.396 3.550 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])cc1F ZINC000263459136 1029700177 /nfs/dbraw/zinc/70/01/77/1029700177.db2.gz POSSELJVBGUHKB-NEPJUHHUSA-N -1 0 347.361 3.779 20 0 EHADRM Cc1cccc(Oc2ccccc2C(=O)N[C@H](C)[C@H](C)C(=O)[O-])c1 ZINC000263506987 1029706416 /nfs/dbraw/zinc/70/64/16/1029706416.db2.gz BJWXCZCXVNEYOG-UONOGXRCSA-N -1 0 327.380 3.626 20 0 EHADRM C[C@@H](c1ccco1)N(C(=O)c1nn(-c2ccccc2)cc1[O-])C1CC1 ZINC000162957754 1029739651 /nfs/dbraw/zinc/73/96/51/1029739651.db2.gz LAQUWJOSPGPDTH-ZDUSSCGKSA-N -1 0 337.379 3.537 20 0 EHADRM Cc1ccccc1C[C@@H](C)N(C)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000487523268 1029752033 /nfs/dbraw/zinc/75/20/33/1029752033.db2.gz ZDHXSHQOACPSKD-MRXNPFEDSA-N -1 0 349.434 3.590 20 0 EHADRM C[C@H](N=c1[n-]nc(-c2ccccc2)s1)c1cccc(-n2cccn2)c1 ZINC000525310963 1029788427 /nfs/dbraw/zinc/78/84/27/1029788427.db2.gz QRQFFRYKICDPRS-AWEZNQCLSA-N -1 0 347.447 3.986 20 0 EHADRM Cc1c2nc([N-]S(=O)(=O)c3cccs3)sc2ccc1F ZINC000150978305 1029789540 /nfs/dbraw/zinc/78/95/40/1029789540.db2.gz BBXGSNVWVWLTTJ-UHFFFAOYSA-N -1 0 328.415 3.606 20 0 EHADRM CCCc1cnc([N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)s1 ZINC000446761015 1029792896 /nfs/dbraw/zinc/79/28/96/1029792896.db2.gz MBHIDSARYFCLBD-UHFFFAOYSA-N -1 0 348.852 3.830 20 0 EHADRM CCCC[C@H](CC)CC(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000262578050 1029794738 /nfs/dbraw/zinc/79/47/38/1029794738.db2.gz PEGRMVGOTRYFIT-RYUDHWBXSA-N -1 0 326.462 3.933 20 0 EHADRM O=S(=O)(Cc1ccccc1Cl)[N-]c1cc(-c2ccccc2)on1 ZINC000446811251 1029800004 /nfs/dbraw/zinc/80/00/04/1029800004.db2.gz XTMBANJDNRRBQQ-UHFFFAOYSA-N -1 0 348.811 3.937 20 0 EHADRM Cc1c(Br)ccc(NC(=O)CC(C)(C)CC(=O)[O-])c1F ZINC000193258560 1029813375 /nfs/dbraw/zinc/81/33/75/1029813375.db2.gz UZHAHWHMQNPILI-UHFFFAOYSA-N -1 0 346.196 3.726 20 0 EHADRM Cc1n[n-]c(=NCC2(c3ccc(Br)cc3)CCC2)s1 ZINC000525365882 1029814669 /nfs/dbraw/zinc/81/46/69/1029814669.db2.gz HOGVJPXCBXVIGS-UHFFFAOYSA-N -1 0 338.274 3.565 20 0 EHADRM C[C@H]1C[C@H](C)N(C(=O)N=c2[n-]nc(C(C)(C)c3ccccc3)s2)C1 ZINC000525410515 1029840961 /nfs/dbraw/zinc/84/09/61/1029840961.db2.gz FNMVKQPMHLOGED-STQMWFEESA-N -1 0 344.484 3.548 20 0 EHADRM COc1ccc(CN=c2[n-]nc(-c3ccc(C)s3)o2)c(Cl)c1 ZINC000446968644 1029875489 /nfs/dbraw/zinc/87/54/89/1029875489.db2.gz ZDJTUXOQBNKVNA-UHFFFAOYSA-N -1 0 335.816 3.803 20 0 EHADRM C[C@@H](CCCO)N=c1[n-]nc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000447204034 1030024418 /nfs/dbraw/zinc/02/44/18/1030024418.db2.gz PQIOURSCROTYHF-QMMMGPOBSA-N -1 0 332.256 3.507 20 0 EHADRM Cc1oc2ccccc2c1CCN=c1[n-]nc(-c2ccccn2)s1 ZINC000546627002 1030037096 /nfs/dbraw/zinc/03/70/96/1030037096.db2.gz TVOGOOXNFTXUQR-UHFFFAOYSA-N -1 0 336.420 3.731 20 0 EHADRM O=C(N=c1nc(-c2ccccc2)[n-]s1)N1CCC2(C1)CCCCC2 ZINC000475650205 1030037712 /nfs/dbraw/zinc/03/77/12/1030037712.db2.gz WTDJYNUKENRFPL-UHFFFAOYSA-N -1 0 342.468 3.815 20 0 EHADRM COc1cc(C)cc([N-]S(=O)(=O)c2c(C)cc(C)cc2OC)c1C ZINC000447263065 1030054272 /nfs/dbraw/zinc/05/42/72/1030054272.db2.gz HPZDTCYEHZJYND-UHFFFAOYSA-N -1 0 349.452 3.738 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)N=c1[n-]c(C2CCOCC2)no1 ZINC000567862284 1030181867 /nfs/dbraw/zinc/18/18/67/1030181867.db2.gz DUKDUJLTODOCCT-CQSZACIVSA-N -1 0 329.444 3.554 20 0 EHADRM Cc1ccc(C(=O)N=c2nc(C(C)(C)C)[n-]s2)c(F)c1Cl ZINC000447490553 1030225891 /nfs/dbraw/zinc/22/58/91/1030225891.db2.gz PVBHCBHRGMZWHN-UHFFFAOYSA-N -1 0 327.812 3.611 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)Cc2cccc(Cl)c2Cl)s[n-]1 ZINC000447487701 1030237326 /nfs/dbraw/zinc/23/73/26/1030237326.db2.gz IOLNDLSMVHKUCB-UHFFFAOYSA-N -1 0 344.267 3.746 20 0 EHADRM CC[C@H](C)[C@H](C)C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000431534099 1030238447 /nfs/dbraw/zinc/23/84/47/1030238447.db2.gz WGEISYUSFMAEPE-RLFYNMQTSA-N -1 0 341.451 3.882 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N(Cc1ccco1)Cc1cccnc1 ZINC000121339514 1030259483 /nfs/dbraw/zinc/25/94/83/1030259483.db2.gz POLYXVNLKWCDDN-UHFFFAOYSA-N -1 0 342.782 3.876 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)Cc2nc(C(C)C)c(C)s2)c1 ZINC000447552875 1030263739 /nfs/dbraw/zinc/26/37/39/1030263739.db2.gz VBFIDMGZCFJMBV-UHFFFAOYSA-N -1 0 332.425 3.664 20 0 EHADRM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1cccc(C2CCCC2)c1 ZINC000667992251 1030279907 /nfs/dbraw/zinc/27/99/07/1030279907.db2.gz MUOPSRIUYCSLDT-UHFFFAOYSA-N -1 0 349.390 3.940 20 0 EHADRM Clc1cc(Cl)cc(-c2noc(=NCCc3ccncc3)[n-]2)c1 ZINC000532149898 1030439227 /nfs/dbraw/zinc/43/92/27/1030439227.db2.gz QTXGYYNBBSEPGS-UHFFFAOYSA-N -1 0 335.194 3.515 20 0 EHADRM COc1ccc(-c2ccccn2)nc1Nc1ccc(C)c(C(=O)[O-])c1 ZINC001211594027 1030469624 /nfs/dbraw/zinc/46/96/24/1030469624.db2.gz JEYIEMLYPQFWGQ-UHFFFAOYSA-N -1 0 335.363 3.902 20 0 EHADRM CCC(=O)c1cccc(S(=O)(=O)[N-]c2nc(C(C)C)cs2)c1 ZINC000194383446 1030473434 /nfs/dbraw/zinc/47/34/34/1030473434.db2.gz QYQLXVDMJBJBRM-UHFFFAOYSA-N -1 0 338.454 3.660 20 0 EHADRM COc1nccc(Nc2ccc(C)c(C(=O)[O-])c2)c1Br ZINC001211594492 1030479253 /nfs/dbraw/zinc/47/92/53/1030479253.db2.gz XITCFTQQXWOQFE-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM CCC(CC)n1ncc(C(=O)N=c2cc(-c3ccc(C)o3)[n-][nH]2)c1C ZINC000447800662 1030483721 /nfs/dbraw/zinc/48/37/21/1030483721.db2.gz VVGWKAOFURNNLV-UHFFFAOYSA-N -1 0 341.415 3.518 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)c3occc3-c3ccccc3)[nH][n-]2)o1 ZINC000447801268 1030485531 /nfs/dbraw/zinc/48/55/31/1030485531.db2.gz BPEXZPRHBRPNMG-UHFFFAOYSA-N -1 0 333.347 3.912 20 0 EHADRM Cc1cccc(NS(=O)(=O)c2ccc(OC(F)F)c(F)c2)c1C ZINC000447789741 1030489175 /nfs/dbraw/zinc/48/91/75/1030489175.db2.gz UGPNLMJDZSQRAC-UHFFFAOYSA-N -1 0 345.342 3.845 20 0 EHADRM Cn1ccc2ccc([N-]S(=O)(=O)c3cc4ccccc4o3)cc21 ZINC000526949460 1030498256 /nfs/dbraw/zinc/49/82/56/1030498256.db2.gz LFVGPQVZDXFZBO-UHFFFAOYSA-N -1 0 326.377 3.725 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)N=c1cc(-c2ccc(C)o2)[n-][nH]1 ZINC000447807475 1030508229 /nfs/dbraw/zinc/50/82/29/1030508229.db2.gz RVGKQYNNUPADPV-GFCCVEGCSA-N -1 0 339.395 3.541 20 0 EHADRM O=S(=O)([N-]c1ccc(F)c(C(F)(F)F)c1)c1ccccc1F ZINC000060417616 1030529200 /nfs/dbraw/zinc/52/92/00/1030529200.db2.gz CXNQUWZPGJRWEB-UHFFFAOYSA-N -1 0 337.269 3.784 20 0 EHADRM COc1cc(Cl)c(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)cc1C ZINC000685187640 1030530300 /nfs/dbraw/zinc/53/03/00/1030530300.db2.gz ZLSJRUDQSCALMI-ZDUSSCGKSA-N -1 0 347.798 3.854 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cc1F)c1c(F)cc(F)cc1F ZINC000060436854 1030555797 /nfs/dbraw/zinc/55/57/97/1030555797.db2.gz PNPPPOMCKFPEMZ-UHFFFAOYSA-N -1 0 339.697 3.697 20 0 EHADRM O=C(Nc1ccc(Sc2ccc(Cl)cc2)cc1)c1n[nH]c(=O)[n-]1 ZINC000060638779 1030671928 /nfs/dbraw/zinc/67/19/28/1030671928.db2.gz YEKJRJSTWOPTCB-UHFFFAOYSA-N -1 0 346.799 3.567 20 0 EHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000194214278 1030692336 /nfs/dbraw/zinc/69/23/36/1030692336.db2.gz ZVJFQBUQCTZBIJ-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM COc1cc(C(=O)N2C[C@@H](C)Oc3ccc(C)cc32)cc(Cl)c1O ZINC000527203230 1030706040 /nfs/dbraw/zinc/70/60/40/1030706040.db2.gz HWADMUJBGAMSCE-LLVKDONJSA-N -1 0 347.798 3.790 20 0 EHADRM Cn1ccc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3F)cc21 ZINC000527198720 1030724019 /nfs/dbraw/zinc/72/40/19/1030724019.db2.gz SHNKPRGUSUUFKQ-UHFFFAOYSA-N -1 0 338.791 3.772 20 0 EHADRM CCN(Cc1ccccc1C)C(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000448150506 1030772879 /nfs/dbraw/zinc/77/28/79/1030772879.db2.gz DFLLMNPMWNAXNV-UHFFFAOYSA-N -1 0 346.434 3.928 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)N[C@H](c1ccccc1)C1CCCC1 ZINC000448152486 1030773630 /nfs/dbraw/zinc/77/36/30/1030773630.db2.gz ZRBNJAKJYMVMSC-LJQANCHMSA-N -1 0 336.439 3.829 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000448159271 1030779329 /nfs/dbraw/zinc/77/93/29/1030779329.db2.gz LSYRXEHLSIVJHO-QGZVFWFLSA-N -1 0 342.830 3.702 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)NC1(c2ccc(F)cc2)CCCC1 ZINC000448159679 1030780520 /nfs/dbraw/zinc/78/05/20/1030780520.db2.gz ZMFSOEUBRKYXMQ-UHFFFAOYSA-N -1 0 340.402 3.506 20 0 EHADRM O=C(NCCc1c(F)cccc1Cl)c1cccc(Cl)c1[O-] ZINC001126944843 1030800307 /nfs/dbraw/zinc/80/03/07/1030800307.db2.gz QZLZIHGCGFLMAI-UHFFFAOYSA-N -1 0 328.170 3.811 20 0 EHADRM CC(C)(NC(=O)CC1CCC(C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000564730997 1030900524 /nfs/dbraw/zinc/90/05/24/1030900524.db2.gz QFIWUYJZOFXCEL-UHFFFAOYSA-N -1 0 337.847 3.972 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1ccc(OC2CCC2)cc1Cl ZINC000431538636 1030980193 /nfs/dbraw/zinc/98/01/93/1030980193.db2.gz VWKUDICWYBVJIK-UHFFFAOYSA-N -1 0 339.819 3.646 20 0 EHADRM Cc1cccc2nc(C3CCN(c4ccnc(C(=O)[O-])c4)CC3)oc21 ZINC000650769153 1031058766 /nfs/dbraw/zinc/05/87/66/1031058766.db2.gz PRIOLJHRXWSPJR-UHFFFAOYSA-N -1 0 337.379 3.613 20 0 EHADRM Cc1ccccc1[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000583956015 1031211466 /nfs/dbraw/zinc/21/14/66/1031211466.db2.gz OHFPUKVXVNUVMX-UHFFFAOYSA-N -1 0 349.305 3.834 20 0 EHADRM CCc1ccc(CN=c2[n-]nc(-c3cccc(OC(F)F)c3)o2)o1 ZINC000551337046 1031232179 /nfs/dbraw/zinc/23/21/79/1031232179.db2.gz ZIVMTKCOMMQOEC-UHFFFAOYSA-N -1 0 335.310 3.527 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](Nc2ccc(OC(F)(F)F)cn2)c2ccccc21 ZINC000650776234 1031247197 /nfs/dbraw/zinc/24/71/97/1031247197.db2.gz RMYWRZYVIQRTEG-QWHCGFSZSA-N -1 0 338.285 3.705 20 0 EHADRM COc1ccc(Br)c(/C=C/c2cc(C(=O)[O-])ccn2)c1 ZINC000551347859 1031253843 /nfs/dbraw/zinc/25/38/43/1031253843.db2.gz FMBIAJWBEDVLFY-NSCUHMNNSA-N -1 0 334.169 3.721 20 0 EHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)[C@@H](C)Cc1cccc(Cl)c1 ZINC000262913995 1031290503 /nfs/dbraw/zinc/29/05/03/1031290503.db2.gz IYILKKXHKIKJDB-YVEFUNNKSA-N -1 0 325.836 3.524 20 0 EHADRM CCCc1nc(=NC(=O)C[C@@H](c2ccccc2)C(F)(F)F)s[n-]1 ZINC000483695128 1031291059 /nfs/dbraw/zinc/29/10/59/1031291059.db2.gz FOZRUWWAHDZXIM-NSHDSACASA-N -1 0 343.374 3.587 20 0 EHADRM Cc1cc2cc(CN=c3[n-]nc(-c4ccccn4)s3)oc2cc1C ZINC000483830719 1031360243 /nfs/dbraw/zinc/36/02/43/1031360243.db2.gz DWDXWZGJXVNEMJ-UHFFFAOYSA-N -1 0 336.420 3.997 20 0 EHADRM CN(C(=O)c1cc(Br)c(F)cc1[O-])C1CCCCC1 ZINC000448633404 1031362788 /nfs/dbraw/zinc/36/27/88/1031362788.db2.gz FZQMYUXTSZKHML-UHFFFAOYSA-N -1 0 330.197 3.699 20 0 EHADRM CCOc1cccc([N-]S(=O)(=O)c2c(C)n(C)c3ccccc32)c1 ZINC000551467001 1031363529 /nfs/dbraw/zinc/36/35/29/1031363529.db2.gz MXDUIGRAWPFYDK-UHFFFAOYSA-N -1 0 344.436 3.686 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc([C@H]2CCCOC2)cc1 ZINC000668272383 1031370250 /nfs/dbraw/zinc/37/02/50/1031370250.db2.gz COBVCGYXFDGOOQ-KRWDZBQOSA-N -1 0 339.391 3.840 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)/C=C/c2ccc(Cl)s2)cc1 ZINC000315468400 1031379674 /nfs/dbraw/zinc/37/96/74/1031379674.db2.gz CFBFYSYPGBMIFG-SOFGYWHQSA-N -1 0 337.784 3.517 20 0 EHADRM CC(C)(c1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1)C(F)(F)F ZINC000668284795 1031389470 /nfs/dbraw/zinc/38/94/70/1031389470.db2.gz XGNHOPFZTGHXFD-YPMHNXCESA-N -1 0 343.345 3.510 20 0 EHADRM Cc1cccc2cc(C(=O)N3CC[C@@](C(=O)[O-])(C(C)C)C3)sc21 ZINC000668288457 1031398771 /nfs/dbraw/zinc/39/87/71/1031398771.db2.gz YCEMDJCMWKJIHY-SFHVURJKSA-N -1 0 331.437 3.783 20 0 EHADRM CCC[C@@H](CNC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1)C(=O)[O-] ZINC000668291244 1031401193 /nfs/dbraw/zinc/40/11/93/1031401193.db2.gz HYTYBXPGAYMTEA-LBPRGKRZSA-N -1 0 345.361 3.757 20 0 EHADRM CC[C@H](C)[C@H](OC)C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000668289835 1031405443 /nfs/dbraw/zinc/40/54/43/1031405443.db2.gz FBCHRGLPCVHFOX-IRWQIABSSA-N -1 0 343.423 3.533 20 0 EHADRM Cc1nc2ccc([N-]S(=O)(=O)c3cccc(F)c3F)cc2s1 ZINC000158554959 1031434199 /nfs/dbraw/zinc/43/41/99/1031434199.db2.gz IXLHCZRMUVXUJK-UHFFFAOYSA-N -1 0 340.376 3.684 20 0 EHADRM C[C@@H]1CCCC[C@@H]1N(C)C(=O)N=c1[n-]nc(/C=C\c2ccco2)s1 ZINC000484092247 1031450188 /nfs/dbraw/zinc/45/01/88/1031450188.db2.gz AJCYVLMSRHZTDE-YBBGCYHPSA-N -1 0 346.456 3.766 20 0 EHADRM Cc1ccc([C@H]2CCN(C(=O)CC3CCC(C(=O)[O-])CC3)C2)c(C)c1 ZINC000668321920 1031483085 /nfs/dbraw/zinc/48/30/85/1031483085.db2.gz CTLQIZVOGOLJHY-ABHNRTSZSA-N -1 0 343.467 3.900 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccccc2C)nn1C1CCCCC1 ZINC000584026052 1031496428 /nfs/dbraw/zinc/49/64/28/1031496428.db2.gz MONSMZXSDXUFDW-UHFFFAOYSA-N -1 0 333.457 3.806 20 0 EHADRM COc1ccc(C)nc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000178199822 1031640505 /nfs/dbraw/zinc/64/05/05/1031640505.db2.gz SHOYDQAINCUPNV-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CC[C@@H](NCc1cc(Cl)ccc1Cl)c1nc(C(=O)[O-])c[nH]1 ZINC000904066153 1031691336 /nfs/dbraw/zinc/69/13/36/1031691336.db2.gz YZYPYUKNQFQLNM-LLVKDONJSA-N -1 0 328.199 3.656 20 0 EHADRM COC1([C@H](NCc2ccc(-c3ccc(Cl)cc3)o2)C(=O)[O-])CCC1 ZINC000904047066 1031694878 /nfs/dbraw/zinc/69/48/78/1031694878.db2.gz AMGNFBLTAJDCDE-MRXNPFEDSA-N -1 0 349.814 3.712 20 0 EHADRM Cc1cc(C)cc(NC(=O)N(CC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC000584090681 1031709382 /nfs/dbraw/zinc/70/93/82/1031709382.db2.gz LPXBDHQKUCFENK-UHFFFAOYSA-N -1 0 348.349 3.700 20 0 EHADRM CC(C)c1nc2cc(N[C@H]3C[C@H](NC(=O)[O-])C34CCC4)ccc2o1 ZINC000904210878 1031833464 /nfs/dbraw/zinc/83/34/64/1031833464.db2.gz AINGSXCIQZBVRX-GJZGRUSLSA-N -1 0 329.400 3.942 20 0 EHADRM Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000180353376 1031844254 /nfs/dbraw/zinc/84/42/54/1031844254.db2.gz SVBZYANBTMCXSN-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM O=C([O-])N[C@@H]1C[C@H](Nc2ccccc2N2CCCCC2)C12CCC2 ZINC000904199242 1031844844 /nfs/dbraw/zinc/84/48/44/1031844844.db2.gz NPVHWQJDNXSJDB-DLBZAZTESA-N -1 0 329.444 3.668 20 0 EHADRM O=C([O-])N[C@@H]1C[C@@H](Nc2ccc(OC3CCC3)c(F)c2)C12CCC2 ZINC000904201226 1031847087 /nfs/dbraw/zinc/84/70/87/1031847087.db2.gz YQIGINARQZHDGC-HZPDHXFCSA-N -1 0 334.391 3.748 20 0 EHADRM Clc1cc(Cl)cc(-c2n[n-]c(=NCC34CC(C3)CO4)s2)c1 ZINC000528184074 1031859668 /nfs/dbraw/zinc/85/96/68/1031859668.db2.gz DMYZOCPACMECCM-UHFFFAOYSA-N -1 0 342.251 3.525 20 0 EHADRM CC(C)c1nc2cc(NC(=O)c3cc(=O)[nH]c(C4CC4)n3)ccc2o1 ZINC000584181075 1031871370 /nfs/dbraw/zinc/87/13/70/1031871370.db2.gz NJYNZIQOHQJJDS-UHFFFAOYSA-N -1 0 338.367 3.577 20 0 EHADRM COc1cc(N[C@H]2C[C@H](NC(=O)[O-])C23CCC3)cc(OC)c1C(C)C ZINC000904231838 1031871888 /nfs/dbraw/zinc/87/18/88/1031871888.db2.gz ZDFGZYUESDKKOQ-HOTGVXAUSA-N -1 0 348.443 3.818 20 0 EHADRM CC(=O)c1ccc(NC(=O)CC2(CC(=O)[O-])CCCC2)cc1Cl ZINC000180920678 1031924200 /nfs/dbraw/zinc/92/42/00/1031924200.db2.gz GLTNCZWNTGVBDD-UHFFFAOYSA-N -1 0 337.803 3.906 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NC[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000666111499 1032014065 /nfs/dbraw/zinc/01/40/65/1032014065.db2.gz ONUQJIFBAGDUOV-MKXGPGLRSA-N -1 0 341.451 3.744 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC[C@H](c2ccncc2)C1 ZINC000574574972 1033301843 /nfs/dbraw/zinc/30/18/43/1033301843.db2.gz JQYRFAAOZWISLV-LBPRGKRZSA-N -1 0 334.778 3.600 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccccc2)s1)c1cc2cccc(F)c2o1 ZINC000607772524 1033309677 /nfs/dbraw/zinc/30/96/77/1033309677.db2.gz LXYSHHRLEHXZCG-UHFFFAOYSA-N -1 0 339.351 3.765 20 0 EHADRM CS[C@H](C)Cc1nc(-c2cc(F)c([O-])c(Br)c2)no1 ZINC000598685192 1033383543 /nfs/dbraw/zinc/38/35/43/1033383543.db2.gz XXKWWLWMHPSEED-ZCFIWIBFSA-N -1 0 347.209 3.638 20 0 EHADRM Cc1c(C(F)(F)F)[n-][nH]c1=NC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000607895823 1033395985 /nfs/dbraw/zinc/39/59/85/1033395985.db2.gz AVHHNRAAIXAIGK-ZETCQYMHSA-N -1 0 331.725 3.554 20 0 EHADRM O=[N+]([O-])c1ccc([O-])c(/C=N/Cc2cccc(Br)c2)c1 ZINC000063556577 1033452897 /nfs/dbraw/zinc/45/28/97/1033452897.db2.gz DTOXHOMMONJLRE-CXUHLZMHSA-N -1 0 335.157 3.682 20 0 EHADRM O=C([N-]S(=O)(=O)C=Cc1ccccc1)[C@@H]1Cc2ccccc2S1 ZINC000077944963 1033484083 /nfs/dbraw/zinc/48/40/83/1033484083.db2.gz VBRWQROOSCYDPL-OFAQMXQXSA-N -1 0 345.445 3.661 20 0 EHADRM COc1ccc(-c2n[n-]c(=NC3CCC(CSC)CC3)o2)cc1 ZINC000594659229 1033493397 /nfs/dbraw/zinc/49/33/97/1033493397.db2.gz SLQDSLUKJUZVIR-UHFFFAOYSA-N -1 0 333.457 3.501 20 0 EHADRM CCn1c(CN=c2[n-]nc(C3CCCCC3)o2)nc2ccccc21 ZINC000537505941 1033513380 /nfs/dbraw/zinc/51/33/80/1033513380.db2.gz XFXSXWFSNOFPMT-UHFFFAOYSA-N -1 0 325.416 3.521 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)N2CCC(C3CCCC3)CC2)s[n-]1 ZINC000608298978 1033596118 /nfs/dbraw/zinc/59/61/18/1033596118.db2.gz QMOQZPPUIFCHNR-UHFFFAOYSA-N -1 0 336.505 3.692 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c1 ZINC000537547913 1033634722 /nfs/dbraw/zinc/63/47/22/1033634722.db2.gz YRXMJEBLPUABLB-GFCCVEGCSA-N -1 0 347.798 3.963 20 0 EHADRM C[C@H]1CCN(C(=O)c2cccc(OC3CCCCC3)c2)C[C@@H]1C(=O)[O-] ZINC000574878125 1033669262 /nfs/dbraw/zinc/66/92/62/1033669262.db2.gz PCFSJWNSIOWFTK-KSSFIOAISA-N -1 0 345.439 3.581 20 0 EHADRM C[C@]1(c2ccccc2)C[C@H]1NC(=O)c1cccc(Br)c1[O-] ZINC000608451100 1033709937 /nfs/dbraw/zinc/70/99/37/1033709937.db2.gz BYGNDMNINOKHCV-RHSMWYFYSA-N -1 0 346.224 3.615 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)CCc2cccc(F)c2)c1 ZINC000476382170 1033716727 /nfs/dbraw/zinc/71/67/27/1033716727.db2.gz RPERLLVKQXFBSG-LBPRGKRZSA-N -1 0 329.371 3.941 20 0 EHADRM Cc1nnc(CN(C)C(=O)c2cc(Cl)c3ccccc3c2[O-])s1 ZINC001167680009 1033869163 /nfs/dbraw/zinc/86/91/63/1033869163.db2.gz GHLPHJOXWQQBCU-UHFFFAOYSA-N -1 0 347.827 3.631 20 0 EHADRM CCOC(=O)Cc1ccc(F)c(Nc2ccc(C(=O)[O-])cc2C)c1 ZINC001211628584 1033880343 /nfs/dbraw/zinc/88/03/43/1033880343.db2.gz BXGGWHWXEGRQOW-UHFFFAOYSA-N -1 0 331.343 3.682 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2ccccc2OC)cc1Cl ZINC000055633017 1033989528 /nfs/dbraw/zinc/98/95/28/1033989528.db2.gz FOUGRBGKDUXWTF-UHFFFAOYSA-N -1 0 341.816 3.548 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000599557202 1034008717 /nfs/dbraw/zinc/00/87/17/1034008717.db2.gz YABPMPBSMAEACD-GFCCVEGCSA-N -1 0 335.498 3.767 20 0 EHADRM CCOC(=O)c1csc(=NCc2oc3ccc(F)cc3c2C)[n-]1 ZINC000450279069 1034040821 /nfs/dbraw/zinc/04/08/21/1034040821.db2.gz UEUQAIDIMDTNKH-UHFFFAOYSA-N -1 0 334.372 3.548 20 0 EHADRM C[C@@H](CC1CC1)NC(=O)N=c1nc(SCc2ccccc2)[n-]s1 ZINC000476502776 1034128354 /nfs/dbraw/zinc/12/83/54/1034128354.db2.gz HKGQHOBAHNQHMU-NSHDSACASA-N -1 0 348.497 3.562 20 0 EHADRM O=C(NCCCCOCCc1ccccc1)c1ccc([O-])c(Cl)c1 ZINC000057378705 1034140496 /nfs/dbraw/zinc/14/04/96/1034140496.db2.gz ZRXYCHIIPULJLJ-UHFFFAOYSA-N -1 0 347.842 3.815 20 0 EHADRM CSc1ccc(S(=O)(=O)Nc2ccc3nc(C)oc3c2)cc1 ZINC000064475480 1034145382 /nfs/dbraw/zinc/14/53/82/1034145382.db2.gz PUWOGJDQMUCCPY-UHFFFAOYSA-N -1 0 334.422 3.659 20 0 EHADRM CCOc1cc(CC(=O)[O-])c(-c2cccc3c2OCO3)cc1OCC ZINC000514798073 1034214070 /nfs/dbraw/zinc/21/40/70/1034214070.db2.gz GZPMVCVBITVKQR-UHFFFAOYSA-N -1 0 344.363 3.507 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H]1C(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000326345308 1034266806 /nfs/dbraw/zinc/26/68/06/1034266806.db2.gz BTGJKKKJQKOKNW-IIAWOOMASA-N -1 0 347.411 3.594 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)s2)c1 ZINC000534332042 1034406027 /nfs/dbraw/zinc/40/60/27/1034406027.db2.gz JZBMEWIXZKTULA-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM C[C@@H](CC(=O)N=c1nc(C2(C)CC2)[n-]s1)c1c[nH]c2ccccc21 ZINC000529697810 1034447779 /nfs/dbraw/zinc/44/77/79/1034447779.db2.gz JHJYCQQHEJEYOU-NSHDSACASA-N -1 0 340.452 3.625 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000450516101 1034454208 /nfs/dbraw/zinc/45/42/08/1034454208.db2.gz JOPCIQIRKXMFKW-MRXNPFEDSA-N -1 0 329.396 3.618 20 0 EHADRM C[C@H](c1ccc(F)cc1)N(C)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000604801452 1034511538 /nfs/dbraw/zinc/51/15/38/1034511538.db2.gz KHYYUGCRNSTGQZ-SNVBAGLBSA-N -1 0 336.436 3.622 20 0 EHADRM COc1cccc([C@H]2CN(C(=O)c3ccc(O)cc3F)CC2(C)C)c1 ZINC000529726138 1034514840 /nfs/dbraw/zinc/51/48/40/1034514840.db2.gz BLDNHZKWXCHYRI-QGZVFWFLSA-N -1 0 343.398 3.806 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)nc1)c1cccc(Cl)c1Cl ZINC000171638995 1034534158 /nfs/dbraw/zinc/53/41/58/1034534158.db2.gz RZQNLWBQMIMMLU-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM CC[C@@H]1CC[C@H](C)N1C(=O)c1cc(Br)c(F)cc1[O-] ZINC000450580077 1034545716 /nfs/dbraw/zinc/54/57/16/1034545716.db2.gz FCVKLXACDJQXQR-DTWKUNHWSA-N -1 0 330.197 3.697 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccc2ccccc2c1 ZINC000060489165 1034622240 /nfs/dbraw/zinc/62/22/40/1034622240.db2.gz QXIUGBCEEMQWLF-UHFFFAOYSA-N -1 0 345.807 3.612 20 0 EHADRM Fc1cc(F)cc(O[C@H]2CCC[C@@H]2N=c2[n-]nc(C3CC3)s2)c1 ZINC000343813925 1034637008 /nfs/dbraw/zinc/63/70/08/1034637008.db2.gz QRUZUKYFHZMXSE-KBPBESRZSA-N -1 0 337.395 3.528 20 0 EHADRM c1ccc(-c2cccc3c2OCC[C@@H]3N=c2[n-]nc(C3CC3)o2)cc1 ZINC000569737937 1034639442 /nfs/dbraw/zinc/63/94/42/1034639442.db2.gz QYYRCQMLXFHBID-KRWDZBQOSA-N -1 0 333.391 3.972 20 0 EHADRM O=C([O-])C1(CC(=O)NCc2ccccc2OC2CCC2)CCCCC1 ZINC000605322043 1034694880 /nfs/dbraw/zinc/69/48/80/1034694880.db2.gz UZZMAHBQUOQMSX-UHFFFAOYSA-N -1 0 345.439 3.659 20 0 EHADRM CC(C)c1noc(=NCc2ccccc2COCc2ccccc2)[n-]1 ZINC000605691163 1034820368 /nfs/dbraw/zinc/82/03/68/1034820368.db2.gz SWGINUUJMASHSP-UHFFFAOYSA-N -1 0 337.423 3.944 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-] ZINC000601984923 1034847167 /nfs/dbraw/zinc/84/71/67/1034847167.db2.gz PRZXQYCVNHQCAW-ZJUUUORDSA-N -1 0 345.848 3.661 20 0 EHADRM C[C@@H](S[C@H](C)C(=O)N1Cc2ccccc2-c2ccccc21)C(=O)[O-] ZINC000602010162 1034857631 /nfs/dbraw/zinc/85/76/31/1034857631.db2.gz UEZZJYDISMQPGY-CHWSQXEVSA-N -1 0 341.432 3.795 20 0 EHADRM CCn1c2ccc(C(=O)[O-])cc2nc1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000570050829 1035018041 /nfs/dbraw/zinc/01/80/41/1035018041.db2.gz IMOUNHHALWXJEV-QGZVFWFLSA-N -1 0 349.434 3.744 20 0 EHADRM C[C@@H]1CN([C@@H](c2ccccc2)c2ccc(Cl)cc2)C[C@@H](C(=O)[O-])O1 ZINC000530172392 1035046436 /nfs/dbraw/zinc/04/64/36/1035046436.db2.gz LKAQVQAYCKSLJM-BVGQSLNGSA-N -1 0 345.826 3.603 20 0 EHADRM Cc1sc(N2CCc3cccc(C(F)(F)F)c3C2)nc1C(=O)[O-] ZINC000530178493 1035051195 /nfs/dbraw/zinc/05/11/95/1035051195.db2.gz LQIVJSYQZPCIAD-UHFFFAOYSA-N -1 0 342.342 3.731 20 0 EHADRM CCCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccnc(Cl)c1 ZINC000782639718 1035197310 /nfs/dbraw/zinc/19/73/10/1035197310.db2.gz IWLJTUQBCPTFOB-LBPRGKRZSA-N -1 0 346.880 3.537 20 0 EHADRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccnn1C1CCCCC1 ZINC000066248293 1035326553 /nfs/dbraw/zinc/32/65/53/1035326553.db2.gz YNLHXKWYSPLEOY-UHFFFAOYSA-N -1 0 337.420 3.637 20 0 EHADRM CC[C@H]1CC[C@H](C)N1C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000613235250 1035465641 /nfs/dbraw/zinc/46/56/41/1035465641.db2.gz JICKDEJUFMYUQI-AAEUAGOBSA-N -1 0 333.819 3.634 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000571462335 1035502498 /nfs/dbraw/zinc/50/24/98/1035502498.db2.gz SBQPNHORHCHURK-ZDUSSCGKSA-N -1 0 337.847 3.622 20 0 EHADRM CO[C@@H](C)c1nc(=NCc2cccc(OC3CCCC3)c2)s[n-]1 ZINC000509711175 1035519371 /nfs/dbraw/zinc/51/93/71/1035519371.db2.gz HXEBLJILEAAWEZ-LBPRGKRZSA-N -1 0 333.457 3.601 20 0 EHADRM Cc1n[n-]c(=NC(=O)N2CCc3c2cccc3-c2ccccc2)s1 ZINC000463472706 1035539965 /nfs/dbraw/zinc/53/99/65/1035539965.db2.gz SVPJEPFCUUGZJO-UHFFFAOYSA-N -1 0 336.420 3.530 20 0 EHADRM CC(C)(C)c1ccc(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000571596910 1035562508 /nfs/dbraw/zinc/56/25/08/1035562508.db2.gz BTRQOOOKGCQKEF-NRFANRHFSA-N -1 0 339.435 3.756 20 0 EHADRM C[C@H](CNC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1)CC(F)(F)F ZINC000414113489 1035573541 /nfs/dbraw/zinc/57/35/41/1035573541.db2.gz YUBDUBKYWKWTBR-NHYWBVRUSA-N -1 0 337.382 3.752 20 0 EHADRM Brc1ccc(CN=c2[n-]nc(CC3CCCC3)o2)cc1 ZINC000540706289 1035585381 /nfs/dbraw/zinc/58/53/81/1035585381.db2.gz JJZXDYGUJMSGIQ-UHFFFAOYSA-N -1 0 336.233 3.599 20 0 EHADRM CC(C)CCc1n[n-]c(=NCc2cc(Br)ccc2F)o1 ZINC000540706647 1035586182 /nfs/dbraw/zinc/58/61/82/1035586182.db2.gz OZRGKKQMUISLEO-UHFFFAOYSA-N -1 0 342.212 3.594 20 0 EHADRM CCOc1cc(C(=O)N[C@H](CC(=O)[O-])C2CCCCC2)ccc1C ZINC000540716040 1035603262 /nfs/dbraw/zinc/60/32/62/1035603262.db2.gz YNKNPNWEADKBPU-MRXNPFEDSA-N -1 0 333.428 3.547 20 0 EHADRM CC(C)C[C@H](CNC(=O)N(C)[C@H](C)c1ccccc1Cl)C(=O)[O-] ZINC000321296003 1035619328 /nfs/dbraw/zinc/61/93/28/1035619328.db2.gz BCMBONVPFXIPAA-CHWSQXEVSA-N -1 0 340.851 3.789 20 0 EHADRM CC(C)(C)C[C@@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C1 ZINC000457023358 1035622680 /nfs/dbraw/zinc/62/26/80/1035622680.db2.gz OJLUGGOPTWAONW-ZDUSSCGKSA-N -1 0 345.418 3.615 20 0 EHADRM Cc1ccc(CC(=O)[O-])c(-c2ccc(NC(=O)C(C)(C)C)nc2)c1 ZINC000517759617 1035634524 /nfs/dbraw/zinc/63/45/24/1035634524.db2.gz RFVGJLCDVROCRI-UHFFFAOYSA-N -1 0 326.396 3.669 20 0 EHADRM FC(F)(F)c1ccccc1CN=c1[n-]nc(CC2CCCC2)o1 ZINC000540791017 1035685549 /nfs/dbraw/zinc/68/55/49/1035685549.db2.gz HQZHOTWYRCIYAC-UHFFFAOYSA-N -1 0 325.334 3.855 20 0 EHADRM COc1ccc(C)cc1CN=c1[n-]nc(CCCc2ccccc2)o1 ZINC000540790967 1035686619 /nfs/dbraw/zinc/68/66/19/1035686619.db2.gz BVEMXLSSGOHMGH-UHFFFAOYSA-N -1 0 337.423 3.596 20 0 EHADRM CC[C@H](c1n[n-]c(=NCc2cccc3c[nH]nc32)s1)c1ccccc1 ZINC000540790954 1035687039 /nfs/dbraw/zinc/68/70/39/1035687039.db2.gz AVZWXFFWVNOSGC-INIZCTEOSA-N -1 0 349.463 3.990 20 0 EHADRM Brc1ccccc1CN=c1[n-]c(-c2ccccc2)no1 ZINC000588162590 1035732049 /nfs/dbraw/zinc/73/20/49/1035732049.db2.gz HWCDJGYOWKCULV-UHFFFAOYSA-N -1 0 330.185 3.533 20 0 EHADRM COc1ccc(/C=C/c2cc(C(=O)[O-])ncn2)cc1OCCC(C)C ZINC000534880178 1035739000 /nfs/dbraw/zinc/73/90/00/1035739000.db2.gz SDSYUZFCATUFIT-GQCTYLIASA-N -1 0 342.395 3.779 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1cccc(-c2ncco2)c1 ZINC000187036493 1035746148 /nfs/dbraw/zinc/74/61/48/1035746148.db2.gz AFNWOUGAYHKCQN-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2noc(C(C)C)n2)c(C)c1C ZINC000540895378 1035775785 /nfs/dbraw/zinc/77/57/85/1035775785.db2.gz DYGJRNVHKGKFEZ-UHFFFAOYSA-N -1 0 337.445 3.536 20 0 EHADRM CC(C)(C)c1nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2s1 ZINC000174000576 1035809997 /nfs/dbraw/zinc/80/99/97/1035809997.db2.gz KAJNUXVWYYWECU-UHFFFAOYSA-N -1 0 347.465 3.790 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ncc(C(C)C)s2)c1 ZINC000174014191 1035832450 /nfs/dbraw/zinc/83/24/50/1035832450.db2.gz MHRSIERNMVQPTM-UHFFFAOYSA-N -1 0 346.861 3.729 20 0 EHADRM O=C([O-])c1cc(NC(=O)Cc2c[nH]c3ccccc23)ccc1Cl ZINC000319627795 1035833561 /nfs/dbraw/zinc/83/35/61/1035833561.db2.gz OZNFNTSQESOBFL-UHFFFAOYSA-N -1 0 328.755 3.701 20 0 EHADRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)CCC(C)C)cc1[N+](=O)[O-] ZINC000045098970 1035846015 /nfs/dbraw/zinc/84/60/15/1035846015.db2.gz JKNBZUUXMBGMTA-UHFFFAOYSA-N -1 0 348.808 3.638 20 0 EHADRM CCC[C@H](CNC(=O)Cc1cc2c(ccc3ccccc23)o1)C(=O)[O-] ZINC000263099392 1035890416 /nfs/dbraw/zinc/89/04/16/1035890416.db2.gz FHQXALDCRYLGSV-CQSZACIVSA-N -1 0 339.391 3.746 20 0 EHADRM Cc1noc(C)c1[C@@H](C)C(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000152135688 1035904689 /nfs/dbraw/zinc/90/46/89/1035904689.db2.gz WGPKYTZRCXYACN-SECBINFHSA-N -1 0 342.317 3.662 20 0 EHADRM O=C([O-])c1cccnc1NCc1cccnc1Oc1cccc(F)c1 ZINC000613465544 1035955025 /nfs/dbraw/zinc/95/50/25/1035955025.db2.gz QFPDQWOOFLEVMP-UHFFFAOYSA-N -1 0 339.326 3.718 20 0 EHADRM CC(=O)c1cccc(-c2nc(=O)c3snc(-c4ccccc4)c3[n-]2)c1 ZINC000541160726 1036038729 /nfs/dbraw/zinc/03/87/29/1036038729.db2.gz OSWBCOPGZHRXIS-UHFFFAOYSA-N -1 0 347.399 3.916 20 0 EHADRM COc1ccc(C)cc1CC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000319684579 1036070549 /nfs/dbraw/zinc/07/05/49/1036070549.db2.gz UOSVVDSMJMSDBL-UHFFFAOYSA-N -1 0 333.771 3.536 20 0 EHADRM Cc1oc([N-]S(=O)(=O)c2cc(C)ccc2Cl)nc1C1CC1 ZINC000572454105 1036123038 /nfs/dbraw/zinc/12/30/38/1036123038.db2.gz OXIAINUOJHDXKZ-UHFFFAOYSA-N -1 0 326.805 3.623 20 0 EHADRM CCc1cnc(CNC(=O)c2c([O-])cc(Cl)cc2Cl)s1 ZINC000175257435 1036272822 /nfs/dbraw/zinc/27/28/22/1036272822.db2.gz RYDKFUHQTFOIJY-UHFFFAOYSA-N -1 0 331.224 3.648 20 0 EHADRM O=C(Cc1cccc(Cl)c1F)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000464263568 1036283510 /nfs/dbraw/zinc/28/35/10/1036283510.db2.gz QGUKUDHESBGYNA-UHFFFAOYSA-N -1 0 341.773 3.539 20 0 EHADRM COc1cc(/C=C/C(=O)Nc2cc(Cl)c([O-])cc2F)ccc1F ZINC000492801726 1036317683 /nfs/dbraw/zinc/31/76/83/1036317683.db2.gz RGBGGTFDOUWERT-HWKANZROSA-N -1 0 339.725 3.984 20 0 EHADRM Cc1cc(C2CC2)nc([N-]S(=O)(=O)c2ccc3ccccc3c2)n1 ZINC000191811761 1036433595 /nfs/dbraw/zinc/43/35/95/1036433595.db2.gz DEHCSZCTZFASBN-UHFFFAOYSA-N -1 0 339.420 3.616 20 0 EHADRM CC[C@H](C)Oc1ccccc1-c1ccc(C(=O)N(C)CC(=O)[O-])s1 ZINC000572663389 1036451880 /nfs/dbraw/zinc/45/18/80/1036451880.db2.gz NTVNSOHJPATHSS-LBPRGKRZSA-N -1 0 347.436 3.749 20 0 EHADRM O=C([O-])c1ccc2nc(/C=C\c3cn(-c4ccccc4)nn3)sc2c1 ZINC000761484664 1036455211 /nfs/dbraw/zinc/45/52/11/1036455211.db2.gz AAYOIAVOVBVBTA-CLFYSBASSA-N -1 0 348.387 3.746 20 0 EHADRM CC[C@@H](NC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)c1ccc(Cl)s1 ZINC000780575116 1036468253 /nfs/dbraw/zinc/46/82/53/1036468253.db2.gz MQKPRXLZDHUIQU-SBMIAAHKSA-N -1 0 332.853 3.651 20 0 EHADRM CC(=O)Nc1cccc(NC(=O)Nc2ccc(O)c(Cl)c2)c1C ZINC000192189795 1036483840 /nfs/dbraw/zinc/48/38/40/1036483840.db2.gz WKSVSCJVGOPPGP-UHFFFAOYSA-N -1 0 333.775 3.956 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)Cc1cccc(C2CC2)c1 ZINC000572779311 1036495715 /nfs/dbraw/zinc/49/57/15/1036495715.db2.gz HMHQOHDXWLFFTF-UHFFFAOYSA-N -1 0 348.406 3.544 20 0 EHADRM O=S(=O)([N-]c1cccc2c1OCCC2)c1cccc2ccccc21 ZINC000464546290 1036541101 /nfs/dbraw/zinc/54/11/01/1036541101.db2.gz RQLVKWANVKTWFH-UHFFFAOYSA-N -1 0 339.416 3.966 20 0 EHADRM CC(C)(C)c1cnc(NC(=O)c2cc(F)c(F)c([O-])c2F)s1 ZINC000541675677 1036551099 /nfs/dbraw/zinc/55/10/99/1036551099.db2.gz FPUWLCOISIWNMC-UHFFFAOYSA-N -1 0 330.331 3.816 20 0 EHADRM Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000013166706 1036552890 /nfs/dbraw/zinc/55/28/90/1036552890.db2.gz WSWDQHPBYSECHJ-UHFFFAOYSA-N -1 0 327.380 3.834 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)N=c3nc(C(C)(C)C)[n-]s3)cc2C1 ZINC000589938270 1036666785 /nfs/dbraw/zinc/66/67/85/1036666785.db2.gz NEFSTRFLWYWFMR-SECBINFHSA-N -1 0 335.498 3.696 20 0 EHADRM Cc1ccc(C(=O)N=c2[n-]nc(-c3cccc(Cl)c3)s2)s1 ZINC000589916228 1036674258 /nfs/dbraw/zinc/67/42/58/1036674258.db2.gz WWLMEHBYVYIHLO-UHFFFAOYSA-N -1 0 335.841 3.903 20 0 EHADRM O=C([O-])c1cc(/C=C\c2ccc(Cl)cc2Br)ncn1 ZINC000535595008 1036698332 /nfs/dbraw/zinc/69/83/32/1036698332.db2.gz PUQHZVZUDGFSJF-RQOWECAXSA-N -1 0 339.576 3.761 20 0 EHADRM CCn1cc([N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)cn1 ZINC000024577328 1036737595 /nfs/dbraw/zinc/73/75/95/1036737595.db2.gz LJWIYBPTUZXNEO-UHFFFAOYSA-N -1 0 348.255 3.627 20 0 EHADRM CC(C)(C)c1csc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])n1 ZINC000321441696 1036747436 /nfs/dbraw/zinc/74/74/36/1036747436.db2.gz MTVFQPXERUEVCX-NSHDSACASA-N -1 0 339.461 3.692 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2CCC[C@H]2/C=C/c2ccccc2)s1 ZINC000541879656 1036752616 /nfs/dbraw/zinc/75/26/16/1036752616.db2.gz XFMNAZYKCHBQQN-RUMSDORHSA-N -1 0 342.468 3.622 20 0 EHADRM Cc1ccc(C)c([C@H]2CCCN2C(=O)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000263301952 1036760451 /nfs/dbraw/zinc/76/04/51/1036760451.db2.gz DKQZGSAVRGCANB-LJQANCHMSA-N -1 0 337.419 3.908 20 0 EHADRM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N=c1[n-]nc(C(F)F)s1 ZINC000590139996 1036788297 /nfs/dbraw/zinc/78/82/97/1036788297.db2.gz YKENEKLVFIJYHD-VHSXEESVSA-N -1 0 332.420 3.624 20 0 EHADRM Cc1cccc(O[C@@H](C)C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c1 ZINC000263361478 1036821651 /nfs/dbraw/zinc/82/16/51/1036821651.db2.gz YOMHETADCIPJHL-KGLIPLIRSA-N -1 0 327.380 3.589 20 0 EHADRM O=S(=O)([N-]c1cccc(Cl)n1)c1cccc(Cl)c1Cl ZINC000162276392 1036834181 /nfs/dbraw/zinc/83/41/81/1036834181.db2.gz VEZONIQEWCSROF-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM CCC[C@H]1CCCC[C@H]1CNS(=O)(=O)c1cnc(Cl)c(F)c1 ZINC001212163320 1036851974 /nfs/dbraw/zinc/85/19/74/1036851974.db2.gz UHLDITFERHFFCD-RYUDHWBXSA-N -1 0 348.871 3.759 20 0 EHADRM O=C(/C=C/COCC(F)(F)F)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000493195196 1036868094 /nfs/dbraw/zinc/86/80/94/1036868094.db2.gz HSGONPLBVJZXKZ-OWOJBTEDSA-N -1 0 344.116 3.773 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc3[nH]cnc32)cc1 ZINC000462373063 1036882033 /nfs/dbraw/zinc/88/20/33/1036882033.db2.gz ZIZFCHAGQIDYOO-UHFFFAOYSA-N -1 0 329.425 3.661 20 0 EHADRM O=C([O-])c1cccc(CNc2cccc(C[NH+]3CCSCC3)c2)c1 ZINC000263447857 1036928433 /nfs/dbraw/zinc/92/84/33/1036928433.db2.gz GIHHVAMKNLOMME-UHFFFAOYSA-N -1 0 342.464 3.546 20 0 EHADRM C[C@H](C(=O)N1CCC[C@](C)(C(=O)[O-])C1)c1c(Cl)cccc1Cl ZINC000666368261 1036929097 /nfs/dbraw/zinc/92/90/97/1036929097.db2.gz XJCJSJFHQAJDRO-QFYYESIMSA-N -1 0 344.238 3.810 20 0 EHADRM O=S(=O)([N-]c1cnc2c(c1)CCCC2)c1cccc(Cl)c1F ZINC000541999986 1036963458 /nfs/dbraw/zinc/96/34/58/1036963458.db2.gz GONJCZWMNWJZAX-UHFFFAOYSA-N -1 0 340.807 3.554 20 0 EHADRM CC(C)c1ccccc1OCC(=O)N[C@@H](CC(=O)[O-])C1CCCCC1 ZINC000539605031 1036969477 /nfs/dbraw/zinc/96/94/77/1036969477.db2.gz KWOSBSVZZUJDLM-KRWDZBQOSA-N -1 0 347.455 3.729 20 0 EHADRM CCOc1ccccc1CCC(=O)N[C@H](CC(=O)[O-])C1CCCCC1 ZINC000539617048 1036984237 /nfs/dbraw/zinc/98/42/37/1036984237.db2.gz WTWVCPKLJTWTMM-QGZVFWFLSA-N -1 0 347.455 3.558 20 0 EHADRM CCOC(=O)c1csc(=N[C@H](C)c2ccccc2OC(C)C)[n-]1 ZINC000590685742 1036985080 /nfs/dbraw/zinc/98/50/80/1036985080.db2.gz FJRMSYAKGSGJQJ-GFCCVEGCSA-N -1 0 334.441 3.702 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1cccc(OC2CCCC2)c1 ZINC000263498737 1036999748 /nfs/dbraw/zinc/99/97/48/1036999748.db2.gz SAUXYZFODZMBHW-UHFFFAOYSA-N -1 0 334.416 3.773 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)N(C)C[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000263508135 1037021416 /nfs/dbraw/zinc/02/14/16/1037021416.db2.gz WMZNFOJHFRXFRC-CQSZACIVSA-N -1 0 342.395 3.972 20 0 EHADRM CC(C)CN(CC(C)(C)C)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000475841240 1037036902 /nfs/dbraw/zinc/03/69/02/1037036902.db2.gz XDGQZSQRIGGBPW-UHFFFAOYSA-N -1 0 329.444 3.722 20 0 EHADRM O=C([O-])[C@@H]1CCN(c2cc(C(F)F)nc3ccc(Cl)cc32)C1 ZINC000263536733 1037071433 /nfs/dbraw/zinc/07/14/33/1037071433.db2.gz ZQTIISCNXLIAMW-MRVPVSSYSA-N -1 0 326.730 3.737 20 0 EHADRM Fc1cccc(-c2ccc(CN=c3[n-]nc(C(F)(F)F)o3)s2)c1 ZINC000472601359 1037072466 /nfs/dbraw/zinc/07/24/66/1037072466.db2.gz FERPKIMGDBAORI-UHFFFAOYSA-N -1 0 343.305 3.990 20 0 EHADRM CC[C@H](CC(=O)NCCc1cccc(C(=O)[O-])c1)c1ccc(C)cc1 ZINC000539677993 1037072862 /nfs/dbraw/zinc/07/28/62/1037072862.db2.gz RBBYLQMSMVSYER-QGZVFWFLSA-N -1 0 339.435 3.936 20 0 EHADRM Fc1cc(CN=c2[n-]nc(CCc3ccccc3)o2)ccc1Cl ZINC000539692836 1037085971 /nfs/dbraw/zinc/08/59/71/1037085971.db2.gz YYSAMVCQLLWUEM-UHFFFAOYSA-N -1 0 331.778 3.681 20 0 EHADRM CCCc1n[n-]c(=NCc2cc(C)c(Br)s2)s1 ZINC000539709161 1037097507 /nfs/dbraw/zinc/09/75/07/1037097507.db2.gz ZSAHZSGVXSOKAY-UHFFFAOYSA-N -1 0 332.292 3.657 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)cc1 ZINC000263542564 1037102887 /nfs/dbraw/zinc/10/28/87/1037102887.db2.gz RPZOBRSTHBRISL-OTWHNJEPSA-N -1 0 335.403 3.793 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cc1 ZINC000542134951 1037110264 /nfs/dbraw/zinc/11/02/64/1037110264.db2.gz LYLBYLHRXBWPSE-LXGFNABISA-N -1 0 341.451 3.627 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2c(C)cccc2Cl)cnn1CC(C)C ZINC000414378566 1037117159 /nfs/dbraw/zinc/11/71/59/1037117159.db2.gz DMGPOQXQYVQUID-UHFFFAOYSA-N -1 0 341.864 3.610 20 0 EHADRM CSc1ccc(O[C@@H](C)C(=O)Nc2cc(C(C)=O)ccc2[O-])cc1 ZINC000539750287 1037137904 /nfs/dbraw/zinc/13/79/04/1037137904.db2.gz SSWQOPZUFLCAGX-LBPRGKRZSA-N -1 0 345.420 3.723 20 0 EHADRM CC[C@@H](C)n1ncc2c1nc(/C=C\c1cccnc1C)cc2C(=O)[O-] ZINC000573005359 1037153809 /nfs/dbraw/zinc/15/38/09/1037153809.db2.gz MVHSMSMKRCBCBW-QDZRJHCZSA-N -1 0 336.395 3.974 20 0 EHADRM CC(C)[C@@H](Oc1ccccc1-c1ccc(C2(CO)CC2)cc1)C(=O)[O-] ZINC000573022064 1037157911 /nfs/dbraw/zinc/15/79/11/1037157911.db2.gz RWZOWKTYVXLJCH-LJQANCHMSA-N -1 0 340.419 3.866 20 0 EHADRM CCC(CC)CNC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666529491 1037190522 /nfs/dbraw/zinc/19/05/22/1037190522.db2.gz MRYQZLVILRENRM-UHFFFAOYSA-N -1 0 332.444 3.710 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C=Cc2ccc(Cl)nc2)c1 ZINC000493301893 1037206628 /nfs/dbraw/zinc/20/66/28/1037206628.db2.gz KSBQDXZIMCDCKQ-YWEYNIOJSA-N -1 0 330.771 3.685 20 0 EHADRM Cc1cccc([C@H](NC(=O)N2CCC[C@H](CC(=O)[O-])C2)C(C)(C)C)c1 ZINC000666535211 1037208879 /nfs/dbraw/zinc/20/88/79/1037208879.db2.gz ZTPKGNNSVONZNZ-QAPCUYQASA-N -1 0 346.471 3.979 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)N2CCC[C@@H]2c2cccc(F)c2)c1 ZINC000666566785 1037213625 /nfs/dbraw/zinc/21/36/25/1037213625.db2.gz VWVFPYXAZYUXMR-QGZVFWFLSA-N -1 0 342.370 3.571 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000089288542 1037237719 /nfs/dbraw/zinc/23/77/19/1037237719.db2.gz BSHPKJAENDNOGC-VIFPVBQESA-N -1 0 336.240 3.644 20 0 EHADRM O=C([O-])Cc1csc(NC(=O)c2cccc(C3CCCC3)c2)n1 ZINC000659115832 1037266835 /nfs/dbraw/zinc/26/68/35/1037266835.db2.gz IUNGFHZHPVXYEL-UHFFFAOYSA-N -1 0 330.409 3.680 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)c2cccc(C(C)C)c2)c1 ZINC000659127886 1037315653 /nfs/dbraw/zinc/31/56/53/1037315653.db2.gz VXVYNJHYHKDIQW-SFHVURJKSA-N -1 0 341.407 3.764 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)C1CCC(C2CC2)CC1)c1ccccc1 ZINC000659129260 1037330920 /nfs/dbraw/zinc/33/09/20/1037330920.db2.gz JZGMFEJXFIGABS-YPCVUPECSA-N -1 0 329.440 3.781 20 0 EHADRM CC1=CC[C@@](C)(C(=O)Nc2ccc3c(ccn3CC(=O)[O-])c2)CC1 ZINC000659132546 1037337039 /nfs/dbraw/zinc/33/70/39/1037337039.db2.gz HNPNZXUDEWRTFH-LJQANCHMSA-N -1 0 326.396 3.801 20 0 EHADRM O=C([O-])Cn1ccc2cc(NC(=O)[C@H]3CCCC4(CC4)C3)ccc21 ZINC000659134948 1037341374 /nfs/dbraw/zinc/34/13/74/1037341374.db2.gz ZFVIWIJUOSOJCJ-AWEZNQCLSA-N -1 0 326.396 3.635 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1CCCC2(CC2)C1)c1ccc(Cl)cc1 ZINC000659138726 1037353259 /nfs/dbraw/zinc/35/32/59/1037353259.db2.gz LJBIDZRQGXUSOG-ZFWWWQNUSA-N -1 0 335.831 3.942 20 0 EHADRM Cc1nc([C@H](C)NC(=O)C2[C@H]3CCCCCC[C@H]23)sc1C(=O)[O-] ZINC000659141954 1037360708 /nfs/dbraw/zinc/36/07/08/1037360708.db2.gz BRAWCGUQMBXLKE-SRVKXCTJSA-N -1 0 336.457 3.543 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1cc(Cl)cc2ccccc21 ZINC000659152007 1037373878 /nfs/dbraw/zinc/37/38/78/1037373878.db2.gz NKILNKPKBKMDSL-VMGRFDJRSA-N -1 0 343.810 3.819 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1ncccc1-c1ccccc1 ZINC000539948404 1037382294 /nfs/dbraw/zinc/38/22/94/1037382294.db2.gz IDCLIPIWUFELRF-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM O=C([N-]S(=O)(=O)C1=Cc2ccccc2CC1)c1cccc(Cl)c1 ZINC000058035229 1037387527 /nfs/dbraw/zinc/38/75/27/1037387527.db2.gz KHXVOEXVJAWQLP-UHFFFAOYSA-N -1 0 347.823 3.962 20 0 EHADRM Cc1nc(-c2ccc(N[C@@H]3CCc4ccccc4C3)nc2)[nH]c(=O)c1C ZINC000462788037 1037395075 /nfs/dbraw/zinc/39/50/75/1037395075.db2.gz BABUSOOIVGAAHU-GOSISDBHSA-N -1 0 346.434 3.830 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)C2CC3(C2)CCCCC3)nc1C1CC1 ZINC000659161998 1037404141 /nfs/dbraw/zinc/40/41/41/1037404141.db2.gz SCEAWUGVLIBNRH-UHFFFAOYSA-N -1 0 342.439 3.634 20 0 EHADRM O=C([O-])C1(CC(=O)NCc2ccc(-c3cccs3)cc2)CCC1 ZINC000659170466 1037410069 /nfs/dbraw/zinc/41/00/69/1037410069.db2.gz NLKBOTFHGIDFAZ-UHFFFAOYSA-N -1 0 329.421 3.676 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2ccc(C3CCC3)cc2)n1 ZINC000659182248 1037432323 /nfs/dbraw/zinc/43/23/23/1037432323.db2.gz IOFOZWPZRFFSSE-INIZCTEOSA-N -1 0 341.411 3.829 20 0 EHADRM CC(C)c1ccoc1C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC000659183174 1037436042 /nfs/dbraw/zinc/43/60/42/1037436042.db2.gz VULQYNGIEUGSSR-HNNXBMFYSA-N -1 0 341.407 3.951 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)NCc2ccc3ccccc3c2)s1 ZINC000591499159 1037449145 /nfs/dbraw/zinc/44/91/45/1037449145.db2.gz LVCGZCAXZCMFAT-UHFFFAOYSA-N -1 0 340.452 3.732 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)CCCc2ccc(C)s2)n1 ZINC000659187009 1037449529 /nfs/dbraw/zinc/44/95/29/1037449529.db2.gz LWEFCBROJYVSKE-AWEZNQCLSA-N -1 0 349.456 3.640 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)CC/C=C/c2ccccc2)n1 ZINC000659186334 1037451005 /nfs/dbraw/zinc/45/10/05/1037451005.db2.gz HQPIGTZMUSZMNL-RFKZRZAASA-N -1 0 341.411 3.741 20 0 EHADRM CC(C)c1cccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)c1 ZINC000659193336 1037462604 /nfs/dbraw/zinc/46/26/04/1037462604.db2.gz PQPKOFMLXUWJML-OKZBNKHCSA-N -1 0 329.440 3.916 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnn([C@@H](C)C3CC3)c2)c(Cl)c1 ZINC000187731722 1037499705 /nfs/dbraw/zinc/49/97/05/1037499705.db2.gz CCBRXYOPMVAKNS-NSHDSACASA-N -1 0 339.848 3.617 20 0 EHADRM Cc1ccc(-n2[n-]nnc2=N[C@@H](C)c2ccccc2C(F)(F)F)cc1 ZINC000462891794 1037517049 /nfs/dbraw/zinc/51/70/49/1037517049.db2.gz TYVGVQNCDWVCDA-LBPRGKRZSA-N -1 0 347.344 3.585 20 0 EHADRM O=C([O-])c1cccnc1NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000613545363 1037534773 /nfs/dbraw/zinc/53/47/73/1037534773.db2.gz VKGKUUXLOLCRLF-UHFFFAOYSA-N -1 0 339.326 3.718 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)CCc1ccc(-c2ccccc2)o1 ZINC000659237064 1037550893 /nfs/dbraw/zinc/55/08/93/1037550893.db2.gz WSLMCHBJVWUPDH-FXAWDEMLSA-N -1 0 341.407 3.639 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N(CCC1CC1)CC1CC1)C(=O)[O-] ZINC000659231874 1037553464 /nfs/dbraw/zinc/55/34/64/1037553464.db2.gz CERSTSBENOOIBP-CYBMUJFWSA-N -1 0 347.480 3.904 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)c1ccccc1Cc1ccccc1 ZINC000659234150 1037556475 /nfs/dbraw/zinc/55/64/75/1037556475.db2.gz HPYZKWIGYIAWDE-NQIIRXRSSA-N -1 0 337.419 3.651 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)NCc1cc(F)ccc1F)C1CCCCC1 ZINC000591690868 1037559019 /nfs/dbraw/zinc/55/90/19/1037559019.db2.gz QEASHHWNRRBBBF-GOSISDBHSA-N -1 0 339.382 3.642 20 0 EHADRM O=C([N-]CCCSc1nc2cc(Cl)ccc2o1)C(F)(F)F ZINC000151729750 1037599049 /nfs/dbraw/zinc/59/90/49/1037599049.db2.gz SVMYVVXOTYNQFS-UHFFFAOYSA-N -1 0 338.738 3.642 20 0 EHADRM Cc1cc(C(=O)Nc2ncccc2O)ccc1NC(=O)OC(C)(C)C ZINC000493756477 1037605038 /nfs/dbraw/zinc/60/50/38/1037605038.db2.gz OMNCBAIEXOSXHR-UHFFFAOYSA-N -1 0 343.383 3.695 20 0 EHADRM O=C([N-]OCc1ccccc1)C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000122745666 1037698669 /nfs/dbraw/zinc/69/86/69/1037698669.db2.gz OHZDXXTXFCWCSL-UHFFFAOYSA-N -1 0 346.386 3.540 20 0 EHADRM CSc1cccc(NC(=O)N=c2[n-]nc(-c3ccco3)s2)c1C ZINC000540399134 1037889704 /nfs/dbraw/zinc/88/97/04/1037889704.db2.gz YXFQEHOVYRWGOU-UHFFFAOYSA-N -1 0 346.437 3.894 20 0 EHADRM COc1ccc(-c2n[n-]c(=NCc3ccccc3C(F)(F)F)o2)cc1 ZINC000463246961 1037932569 /nfs/dbraw/zinc/93/25/69/1037932569.db2.gz LCNNDDRYQOSYFW-UHFFFAOYSA-N -1 0 349.312 3.798 20 0 EHADRM CC(C)Oc1cccc(/C=C\C(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000492196593 1038109550 /nfs/dbraw/zinc/10/95/50/1038109550.db2.gz CBZRFMSKEJFZCF-KHPPLWFESA-N -1 0 339.391 3.753 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCc1ccc(Cl)cc1)C1CCCCC1 ZINC000538515182 1038355002 /nfs/dbraw/zinc/35/50/02/1038355002.db2.gz KPBJVDAXQUELAG-INIZCTEOSA-N -1 0 337.847 3.812 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C(C)(C)C2CCC(O)CC2)c1 ZINC000416236691 1038391424 /nfs/dbraw/zinc/39/14/24/1038391424.db2.gz ZXGHGRWANQLBSY-UHFFFAOYSA-N -1 0 333.428 3.501 20 0 EHADRM c1ccc(CCCc2n[n-]c(=NCc3ccnc4ccccc34)o2)cc1 ZINC000538593139 1038404802 /nfs/dbraw/zinc/40/48/02/1038404802.db2.gz AGTPPWZPHCLZEF-UHFFFAOYSA-N -1 0 344.418 3.827 20 0 EHADRM CCCCOc1ccc(CN=c2[n-]nc(Cc3ccsc3)o2)cc1 ZINC000538593632 1038405799 /nfs/dbraw/zinc/40/57/99/1038405799.db2.gz VEAOMZMVUQUTTR-UHFFFAOYSA-N -1 0 343.452 3.935 20 0 EHADRM Cc1ccc2ncc(CN=c3[n-]nc(C[C@H](C)CC(C)(C)C)o3)n2c1 ZINC000538593417 1038424033 /nfs/dbraw/zinc/42/40/33/1038424033.db2.gz RJXUEKDSODMQRL-AWEZNQCLSA-N -1 0 341.459 3.675 20 0 EHADRM C[C@H](c1ccc2ccccc2c1)N(C(=O)c1cc(=O)n(C)[n-]1)C1CC1 ZINC000667122089 1038454587 /nfs/dbraw/zinc/45/45/87/1038454587.db2.gz UEFKTPNMNWBZGM-CYBMUJFWSA-N -1 0 335.407 3.645 20 0 EHADRM C[C@H](CC(=O)N1[C@@H](C)CC[C@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000653316691 1038518520 /nfs/dbraw/zinc/51/85/20/1038518520.db2.gz VOUFLWUFUDQCSD-SUNKGSAMSA-N -1 0 343.345 3.663 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)NCCCc2cccs2)s1 ZINC000538775472 1038523386 /nfs/dbraw/zinc/52/33/86/1038523386.db2.gz LPRONACYWHJHIG-UHFFFAOYSA-N -1 0 338.502 3.679 20 0 EHADRM CSc1ccc(C)c(C(=O)N(CCC(=O)[O-])Cc2ccccc2)c1 ZINC000590411208 1038584244 /nfs/dbraw/zinc/58/42/44/1038584244.db2.gz ZMRCDDRSVREFJZ-UHFFFAOYSA-N -1 0 343.448 3.834 20 0 EHADRM CCCc1nc(=NCc2sc(-c3ccccc3)nc2C)s[n-]1 ZINC000461777791 1038604576 /nfs/dbraw/zinc/60/45/76/1038604576.db2.gz OBXVMXZGAYPDPX-UHFFFAOYSA-N -1 0 330.482 3.957 20 0 EHADRM CCCOc1ccc([C@H](C)N=c2nc(CCC)[n-]s2)cc1OC ZINC000461780800 1038608424 /nfs/dbraw/zinc/60/84/24/1038608424.db2.gz UZHUPEJDRYPAQR-LBPRGKRZSA-N -1 0 335.473 3.883 20 0 EHADRM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1c(C)cc(C)cc1C ZINC000539113229 1038691528 /nfs/dbraw/zinc/69/15/28/1038691528.db2.gz ZIZXKGPMKWRCTE-UHFFFAOYSA-N -1 0 335.473 3.807 20 0 EHADRM CC(C)COc1ccc(C(=O)N=c2[n-]nc(C(C)(C)C)s2)cc1 ZINC000615152127 1038769010 /nfs/dbraw/zinc/76/90/10/1038769010.db2.gz AWROCARYHAOKEU-UHFFFAOYSA-N -1 0 333.457 3.545 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)[C@@H]2CCC[C@@H]21 ZINC000910238823 1038781283 /nfs/dbraw/zinc/78/12/83/1038781283.db2.gz GWNRXGHVLHGMIE-WRQOLXDDSA-N -1 0 347.842 3.545 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)[C@H]2CCC[C@H]21 ZINC000910238822 1038782956 /nfs/dbraw/zinc/78/29/56/1038782956.db2.gz GWNRXGHVLHGMIE-UTSKFRMZSA-N -1 0 347.842 3.545 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cccc3ccsc32)[C@H]2CCC[C@H]21 ZINC000910239198 1038783865 /nfs/dbraw/zinc/78/38/65/1038783865.db2.gz FFQWDSNUHJZWTM-GUTXKFCHSA-N -1 0 329.421 3.617 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@H]3C[C@H](c4ccccc4F)C3)(CC1)CC2 ZINC000910252375 1038789392 /nfs/dbraw/zinc/78/93/92/1038789392.db2.gz UOHLWYLJPDFJPJ-OVQJEUAKSA-N -1 0 345.414 3.613 20 0 EHADRM CS[C@@H](C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)c1ccccc1 ZINC000910298660 1038814205 /nfs/dbraw/zinc/81/42/05/1038814205.db2.gz NNFKKLKQEFBMML-GVDBMIGSSA-N -1 0 341.432 3.918 20 0 EHADRM CCC[C@@H](C)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000236853106 1038855448 /nfs/dbraw/zinc/85/54/48/1038855448.db2.gz TWUARUWYVZMBMA-YGRLFVJLSA-N -1 0 329.799 3.937 20 0 EHADRM O=S(=O)(CC1CCCC1)[N-][C@H](CCc1ccccc1)C(F)(F)F ZINC000479892959 1038872467 /nfs/dbraw/zinc/87/24/67/1038872467.db2.gz OYATUQFODFGLBO-OAHLLOKOSA-N -1 0 349.418 3.660 20 0 EHADRM C[C@H](C(=O)N1CC[C@]2(C(=O)[O-])CCC[C@H]12)c1ccc2ccccc2c1 ZINC000910398381 1038882046 /nfs/dbraw/zinc/88/20/46/1038882046.db2.gz PSJUAYBBEBGFFA-DHUIEDIVSA-N -1 0 337.419 3.799 20 0 EHADRM Cc1ccc([C@@H]2CCN(C(=O)c3ccoc3CC(=O)[O-])C2(C)C)cc1 ZINC000910412442 1038900497 /nfs/dbraw/zinc/90/04/97/1038900497.db2.gz XLZUMZTWAALBEE-INIZCTEOSA-N -1 0 341.407 3.623 20 0 EHADRM Cc1cccc2c(CC(=O)N[C@@H](CC(=O)[O-])C3CCCCC3)c[nH]c21 ZINC000554100152 1038905760 /nfs/dbraw/zinc/90/57/60/1038905760.db2.gz HQHUEHMVMYKQGI-KRWDZBQOSA-N -1 0 342.439 3.559 20 0 EHADRM CC(C)c1cc(N[C@H]2CCOC3(CC(C(=O)[O-])C3)C2)nc(C(C)C)n1 ZINC000910488016 1038936860 /nfs/dbraw/zinc/93/68/60/1038936860.db2.gz OPCTYXWSFBQSES-BIWSTMPVSA-N -1 0 347.459 3.548 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1ccc2ncsc2c1 ZINC000910510770 1038940862 /nfs/dbraw/zinc/94/08/62/1038940862.db2.gz LDPIKIWLGGQQHY-UHFFFAOYSA-N -1 0 334.441 3.505 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN(C(=O)C1(C3CCCCC3)CC1)C2 ZINC000910501157 1038949631 /nfs/dbraw/zinc/94/96/31/1038949631.db2.gz DAZZGACNAONOIL-UHFFFAOYSA-N -1 0 327.424 3.630 20 0 EHADRM O=C([O-])CCc1csc(NC(=O)C2(Cc3ccccc3)CCC2)n1 ZINC000910646152 1039001347 /nfs/dbraw/zinc/00/13/47/1039001347.db2.gz ONAYRRHHCGFLEW-UHFFFAOYSA-N -1 0 344.436 3.512 20 0 EHADRM Cc1c(NC(=O)CC(C)(C)CC(=O)[O-])cnn1-c1cc(C)ccc1C ZINC000910648546 1039002563 /nfs/dbraw/zinc/00/25/63/1039002563.db2.gz MDDJWIKSZRVJET-UHFFFAOYSA-N -1 0 343.427 3.627 20 0 EHADRM CC[C@@H](C)n1ncc(NC(=O)c2cc(C(=O)[O-])oc2C)c1C1CC1 ZINC000910649469 1039003418 /nfs/dbraw/zinc/00/34/18/1039003418.db2.gz YMCOVZFBGKITPP-SECBINFHSA-N -1 0 331.372 3.583 20 0 EHADRM CC1(C)CCc2sc(NC(=O)C34CCC(C(=O)[O-])(CC3)CC4)nc21 ZINC000910679337 1039018305 /nfs/dbraw/zinc/01/83/05/1039018305.db2.gz LVMOSMHNYVDNHC-UHFFFAOYSA-N -1 0 348.468 3.731 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)C[C@@H](C)CC(C)C)nc1C(=O)[O-] ZINC000910730328 1039036424 /nfs/dbraw/zinc/03/64/24/1039036424.db2.gz LEFSPNFHGYVNFL-WCQYABFASA-N -1 0 338.473 3.886 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)[C@@H](C)C2CCCC2)nc1C(=O)[O-] ZINC000910717972 1039055877 /nfs/dbraw/zinc/05/58/77/1039055877.db2.gz JSYGYYPJELOUAP-GXFFZTMASA-N -1 0 336.457 3.640 20 0 EHADRM O=S(=O)([N-][C@H](CCc1ccccc1)C(F)(F)F)C1CCCCC1 ZINC000480051473 1039060922 /nfs/dbraw/zinc/06/09/22/1039060922.db2.gz PQRWMCSASQTGIP-OAHLLOKOSA-N -1 0 349.418 3.802 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910743805 1039072277 /nfs/dbraw/zinc/07/22/77/1039072277.db2.gz RQQZSUVUTFLDFZ-UHFFFAOYSA-N -1 0 336.800 3.933 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1c(C)cccc1OC(F)F ZINC000488290421 1039072407 /nfs/dbraw/zinc/07/24/07/1039072407.db2.gz GRDKDZGSGGRIDG-UHFFFAOYSA-N -1 0 341.379 3.960 20 0 EHADRM O=C([O-])Cn1ncc2ccc(NC3CCC(C(F)(F)F)CC3)cc21 ZINC000905752278 1039088076 /nfs/dbraw/zinc/08/80/76/1039088076.db2.gz CEXJTQQOWSVBKH-UHFFFAOYSA-N -1 0 341.333 3.654 20 0 EHADRM C[C@@H](Nc1ccc2cnn(CC(=O)[O-])c2c1)[C@@H]1C[C@H]1c1cccs1 ZINC000905752454 1039089320 /nfs/dbraw/zinc/08/93/20/1039089320.db2.gz RCLJCVYGMYYPJM-BYCMXARLSA-N -1 0 341.436 3.787 20 0 EHADRM CC(C)(CNC(=O)c1cccc(OCc2cccs2)c1)CC(=O)[O-] ZINC000910822033 1039097374 /nfs/dbraw/zinc/09/73/74/1039097374.db2.gz NSYRWYKWJHAHCK-UHFFFAOYSA-N -1 0 347.436 3.558 20 0 EHADRM CC(C)(CNC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)CC(=O)[O-] ZINC000910823550 1039099097 /nfs/dbraw/zinc/09/90/97/1039099097.db2.gz UNBXYISJIALRAM-IRXDYDNUSA-N -1 0 325.408 3.560 20 0 EHADRM COc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)c(C(=O)[O-])c1 ZINC000325578890 1039102881 /nfs/dbraw/zinc/10/28/81/1039102881.db2.gz AAUWVOBDCVGDGV-UHFFFAOYSA-N -1 0 339.269 3.665 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1ccn(C2CCCC2)n1 ZINC000910952420 1039154814 /nfs/dbraw/zinc/15/48/14/1039154814.db2.gz BKEVKYLZVVAWEM-UHFFFAOYSA-N -1 0 327.384 3.511 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)CCc1ccc(OC)c(F)c1 ZINC000910960545 1039160930 /nfs/dbraw/zinc/16/09/30/1039160930.db2.gz MCAQRNWXSODYGS-UHFFFAOYSA-N -1 0 345.370 3.666 20 0 EHADRM CSc1ccc(NC(=O)C(C)(C)[C@H]2CCCCO2)cc1C(=O)[O-] ZINC000910943427 1039166749 /nfs/dbraw/zinc/16/67/49/1039166749.db2.gz CEVWYCYTKUXDKH-CQSZACIVSA-N -1 0 337.441 3.641 20 0 EHADRM Cc1cc(F)cc2c(O)c(C(=O)Nc3cccc(F)c3C)cnc12 ZINC000155729459 1039204317 /nfs/dbraw/zinc/20/43/17/1039204317.db2.gz ZEXIIBHYYMOLMZ-UHFFFAOYSA-N -1 0 328.318 3.675 20 0 EHADRM CCCCC[C@H](C)CC(=O)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC000911036426 1039208802 /nfs/dbraw/zinc/20/88/02/1039208802.db2.gz YKWGYERQLZRAKY-STQMWFEESA-N -1 0 338.473 3.764 20 0 EHADRM CC1(C)C[C@H](c2ccccc2)CN1C(=O)c1cccc(CC(=O)[O-])c1 ZINC000911059136 1039216772 /nfs/dbraw/zinc/21/67/72/1039216772.db2.gz HULORSHAKJBWKE-SFHVURJKSA-N -1 0 337.419 3.722 20 0 EHADRM CC1(C)C[C@@H](c2ccccc2)CN1C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000911062091 1039218970 /nfs/dbraw/zinc/21/89/70/1039218970.db2.gz NTTYOEZXCZTWPH-ZHUYAKLQSA-N -1 0 339.391 3.786 20 0 EHADRM CC1(C)C[C@H](c2ccccc2)CN1C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000911060356 1039219371 /nfs/dbraw/zinc/21/93/71/1039219371.db2.gz CUWQAOBEYPQRDL-ZACQAIPSSA-N -1 0 329.440 3.672 20 0 EHADRM CCNc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000911084706 1039221729 /nfs/dbraw/zinc/22/17/29/1039221729.db2.gz RLJILGJQGMBKPW-QWHCGFSZSA-N -1 0 330.409 3.620 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000236738437 1039251025 /nfs/dbraw/zinc/25/10/25/1039251025.db2.gz LJGRMYNJMKEWBB-JXMROGBWSA-N -1 0 327.384 3.594 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])[C@H](CO)c1ccc(Cl)cc1 ZINC000552446745 1039297699 /nfs/dbraw/zinc/29/76/99/1039297699.db2.gz TXSJYFOQUOHLBB-LLVKDONJSA-N -1 0 344.169 3.553 20 0 EHADRM CC(C)n1ncc2c1nc(/C=C/c1ccc3c(c1)CCO3)cc2C(=O)[O-] ZINC000554390366 1039301408 /nfs/dbraw/zinc/30/14/08/1039301408.db2.gz JVPOIMHXGIJDOH-HWKANZROSA-N -1 0 349.390 3.816 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cc(SC)ccc2C)c(F)c1 ZINC000480200240 1039301611 /nfs/dbraw/zinc/30/16/11/1039301611.db2.gz WQJYUGHBZZUEPU-UHFFFAOYSA-N -1 0 341.429 3.665 20 0 EHADRM CCc1c([N-]S(=O)(=O)c2cccc(C)c2)cnn1C(CC)CC ZINC000480201631 1039303485 /nfs/dbraw/zinc/30/34/85/1039303485.db2.gz PZYRFJFWBIXWNL-UHFFFAOYSA-N -1 0 335.473 3.916 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OCC2CC2)cc1 ZINC000480213327 1039313560 /nfs/dbraw/zinc/31/35/60/1039313560.db2.gz KDAZGKRDDNGCNJ-UHFFFAOYSA-N -1 0 335.400 3.724 20 0 EHADRM COc1ccc(Cl)cc1/C=C/C(=O)Nc1ccccc1CC(=O)[O-] ZINC000237257359 1039331200 /nfs/dbraw/zinc/33/12/00/1039331200.db2.gz LQUSWXLDTQYTDG-RMKNXTFCSA-N -1 0 345.782 3.628 20 0 EHADRM O=S(=O)([N-]c1cc(F)ccc1OCC1CC1)c1cccc(F)c1 ZINC000480234625 1039334723 /nfs/dbraw/zinc/33/47/23/1039334723.db2.gz WWDPCINVEBMMEU-UHFFFAOYSA-N -1 0 339.363 3.554 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)[C@@H](C)c1cccc(F)c1 ZINC000237446292 1039367552 /nfs/dbraw/zinc/36/75/52/1039367552.db2.gz FKXOHVJAWOBTCQ-SUMWQHHRSA-N -1 0 329.371 3.570 20 0 EHADRM O=C(CCC1CCC1)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000175157777 1039370433 /nfs/dbraw/zinc/37/04/33/1039370433.db2.gz GIPWADVOXVLMDC-UHFFFAOYSA-N -1 0 343.448 3.739 20 0 EHADRM C[C@H](CC(=O)Nc1ccccc1CC(=O)[O-])Cc1cccc(F)c1 ZINC000237534349 1039382153 /nfs/dbraw/zinc/38/21/53/1039382153.db2.gz VYPJYEPEDWEICX-ZDUSSCGKSA-N -1 0 329.371 3.660 20 0 EHADRM Cc1ccc(-c2noc(=N[C@@H](C)[C@H]3OCCc4sccc43)[n-]2)cc1 ZINC000488769152 1039388739 /nfs/dbraw/zinc/38/87/39/1039388739.db2.gz YJPOOVRPZZWWQY-BLLLJJGKSA-N -1 0 341.436 3.643 20 0 EHADRM O=C([O-])CCN(Cc1ccncc1)C(=O)CCC1CCCCCC1 ZINC000911525480 1039405195 /nfs/dbraw/zinc/40/51/95/1039405195.db2.gz MUBUAZMJICGHDR-UHFFFAOYSA-N -1 0 332.444 3.636 20 0 EHADRM COC[C@@H](C)Oc1cccc(-c2ccc([C@H](OC)C(=O)[O-])s2)c1 ZINC000906244613 1039406789 /nfs/dbraw/zinc/40/67/89/1039406789.db2.gz YXTOSXPTEUEZOZ-BZNIZROVSA-N -1 0 336.409 3.601 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)o1 ZINC000911570376 1039418591 /nfs/dbraw/zinc/41/85/91/1039418591.db2.gz IBXQNDKABZKVOB-ICGPHACGSA-N -1 0 343.354 3.583 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N[C@@](C)(CC(=O)[O-])c2ccncc2)s1 ZINC000911621159 1039437847 /nfs/dbraw/zinc/43/78/47/1039437847.db2.gz RLKKLXMLOBVKSX-SFHVURJKSA-N -1 0 346.452 3.561 20 0 EHADRM O=C([O-])C1CCC(CC(=O)NC[C@@H](c2ccccc2)C2CC2)CC1 ZINC000911756148 1039485937 /nfs/dbraw/zinc/48/59/37/1039485937.db2.gz GCNWAFFEWPXWIM-UYJHFMRCSA-N -1 0 329.440 3.578 20 0 EHADRM C[C@H]1COCC[C@H]1N=c1[n-]nc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000432857587 1039550064 /nfs/dbraw/zinc/55/00/64/1039550064.db2.gz FIKGFXOUGMYUPR-QPUJVOFHSA-N -1 0 344.267 3.771 20 0 EHADRM CC[C@H](C)c1ncc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cn1 ZINC000478673916 1039610874 /nfs/dbraw/zinc/61/08/74/1039610874.db2.gz GDMZBEREYZVHDN-ZDUSSCGKSA-N -1 0 333.457 3.914 20 0 EHADRM O=S(=O)(Cc1cccc(Cl)c1)[N-]c1nc2c(s1)CCCC2 ZINC000554727309 1039631420 /nfs/dbraw/zinc/63/14/20/1039631420.db2.gz NWMKKRUMGANNQW-UHFFFAOYSA-N -1 0 342.873 3.617 20 0 EHADRM Cc1c(Cl)cccc1N=c1[n-]nc(Sc2cccnn2)s1 ZINC000552924331 1039642361 /nfs/dbraw/zinc/64/23/61/1039642361.db2.gz IFFVEPHRVCFSJQ-UHFFFAOYSA-N -1 0 335.845 3.607 20 0 EHADRM COc1cccc(SCC(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)c1 ZINC000485935560 1039714659 /nfs/dbraw/zinc/71/46/59/1039714659.db2.gz VNYOBWYVCNNSNQ-UHFFFAOYSA-N -1 0 345.420 3.741 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2SCCc3ccccc32)cc(C(=O)[O-])c1C ZINC000485959380 1039724008 /nfs/dbraw/zinc/72/40/08/1039724008.db2.gz SEMMCSFQHPXXLZ-QGZVFWFLSA-N -1 0 341.432 3.971 20 0 EHADRM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)c1 ZINC000485951867 1039733305 /nfs/dbraw/zinc/73/33/05/1039733305.db2.gz CNPHHDVPOJXYSP-MSOLQXFVSA-N -1 0 339.391 3.752 20 0 EHADRM Fc1ccc([C@@H]2CC[C@@H](N=c3[n-]nc(-c4ccccn4)s3)C2)cc1 ZINC000480591420 1039741328 /nfs/dbraw/zinc/74/13/28/1039741328.db2.gz SWIINOKRRSATRK-UKRRQHHQSA-N -1 0 340.427 3.909 20 0 EHADRM COc1ccc(/C=C\c2nc(C(=O)[O-])c(Br)s2)cc1 ZINC000486049300 1039804619 /nfs/dbraw/zinc/80/46/19/1039804619.db2.gz BPWRNNADXTVZID-DAXSKMNVSA-N -1 0 340.198 3.783 20 0 EHADRM C[C@@H](N=c1[n-]nc(-c2ccon2)s1)c1ccc2c(c1)CCCC2 ZINC000553159444 1039838901 /nfs/dbraw/zinc/83/89/01/1039838901.db2.gz VSHHBABXOKBZJA-LLVKDONJSA-N -1 0 326.425 3.667 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)C3CCC3)cc2)c(F)c1 ZINC000486086741 1039860081 /nfs/dbraw/zinc/86/00/81/1039860081.db2.gz NBAKUOWUHXZRPC-UHFFFAOYSA-N -1 0 347.411 3.918 20 0 EHADRM Cc1nc(=N[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)s[n-]1 ZINC000553264705 1039919353 /nfs/dbraw/zinc/91/93/53/1039919353.db2.gz PHLRDEILOCUBNA-GFCCVEGCSA-N -1 0 329.347 3.730 20 0 EHADRM CC[C@H]([N-]S(=O)(=O)Cc1ccc2ccccc2c1)C(F)(F)F ZINC000554898201 1039925338 /nfs/dbraw/zinc/92/53/38/1039925338.db2.gz BQAPMDRAHJHHPQ-AWEZNQCLSA-N -1 0 331.359 3.600 20 0 EHADRM C[C@H](C(=O)Nc1cc(Cl)cc(Br)c1[O-])[C@H]1CCCO1 ZINC000907145664 1039943451 /nfs/dbraw/zinc/94/34/51/1039943451.db2.gz GHIDSJVBJVXCGF-WRWORJQWSA-N -1 0 348.624 3.562 20 0 EHADRM CCCc1nc(=NC(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)s[n-]1 ZINC000554938964 1039979604 /nfs/dbraw/zinc/97/96/04/1039979604.db2.gz LTIFAIHRTFBKIM-JSGCOSHPSA-N -1 0 348.447 3.509 20 0 EHADRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2c(C)cccc2F)n[nH]1 ZINC000479139035 1039987654 /nfs/dbraw/zinc/98/76/54/1039987654.db2.gz IPJKURQKWBLBEU-SNVBAGLBSA-N -1 0 325.409 3.562 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2c(C)cccc2F)[nH]nc1-c1ccccc1 ZINC000479123785 1039994156 /nfs/dbraw/zinc/99/41/56/1039994156.db2.gz BUPGYIXQLKFLNK-UHFFFAOYSA-N -1 0 345.399 3.633 20 0 EHADRM Cc1[nH]nc([N-]S(=O)(=O)c2cc(C)cc(F)c2)c1-c1ccccc1 ZINC000533947515 1039997800 /nfs/dbraw/zinc/99/78/00/1039997800.db2.gz WURGVVUWNJPQIR-UHFFFAOYSA-N -1 0 345.399 3.633 20 0 EHADRM Cc1cc(F)cc2[nH]c(C(=O)Nc3ccc(C)c(C(=O)[O-])c3)cc21 ZINC000486279708 1040034119 /nfs/dbraw/zinc/03/41/19/1040034119.db2.gz DWFJLNQBOGCOCO-UHFFFAOYSA-N -1 0 326.327 3.874 20 0 EHADRM CC[C@@H](Cc1ccc(NCc2c(C)cc(OC)nc2C)cc1)C(=O)[O-] ZINC000417606742 1040057291 /nfs/dbraw/zinc/05/72/91/1040057291.db2.gz FGRJSTBLJXUONR-INIZCTEOSA-N -1 0 342.439 3.972 20 0 EHADRM CC[C@H](Cc1ccc(NCc2nc3ccccc3n2C)cc1)C(=O)[O-] ZINC000417614848 1040084226 /nfs/dbraw/zinc/08/42/26/1040084226.db2.gz VZSPOCPPPWHREQ-OAHLLOKOSA-N -1 0 337.423 3.839 20 0 EHADRM COCCOc1cccc(CNc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000417624264 1040102341 /nfs/dbraw/zinc/10/23/41/1040102341.db2.gz JWRZIPBOVMZCEP-UHFFFAOYSA-N -1 0 343.423 3.686 20 0 EHADRM COc1cccc(OC)c1CNc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000417628733 1040107039 /nfs/dbraw/zinc/10/70/39/1040107039.db2.gz RLSMOFCAYFNQFQ-UHFFFAOYSA-N -1 0 329.396 3.678 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1ccccc1C1CCC1)c1ccc(F)cc1 ZINC000907659732 1040119899 /nfs/dbraw/zinc/11/98/99/1040119899.db2.gz QHHNDTYZTUOSGH-SFHVURJKSA-N -1 0 341.382 3.691 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000659152988 1040121938 /nfs/dbraw/zinc/12/19/38/1040121938.db2.gz FVTWBEFRBOIQJX-ZDUSSCGKSA-N -1 0 349.770 3.583 20 0 EHADRM Cc1c(C(=O)[O-])cnn1C1CCN(C(=O)C(C)(C)CC(C)(C)C)CC1 ZINC000907673440 1040124835 /nfs/dbraw/zinc/12/48/35/1040124835.db2.gz AVJVULIGHGCYSM-UHFFFAOYSA-N -1 0 349.475 3.516 20 0 EHADRM O=C([O-])CC[C@H](CC1CCCCC1)NC(=O)c1cnn(C2CCC2)c1 ZINC000907684535 1040129515 /nfs/dbraw/zinc/12/95/15/1040129515.db2.gz WIEBQGSLEULZCN-MRXNPFEDSA-N -1 0 347.459 3.542 20 0 EHADRM CC(C)(C)c1cnc(CN[C@H](C(=O)[O-])c2ccc(F)cc2F)s1 ZINC000575326383 1040132507 /nfs/dbraw/zinc/13/25/07/1040132507.db2.gz RFELXINNTIOHQY-AWEZNQCLSA-N -1 0 340.395 3.634 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(C(=O)[O-])cc1F)Cc1cccc(F)c1 ZINC000479334579 1040159422 /nfs/dbraw/zinc/15/94/22/1040159422.db2.gz MFBCWJJLRUMBRO-NSHDSACASA-N -1 0 333.334 3.870 20 0 EHADRM COCC[C@@H](N=c1nc(C)[n-]s1)c1ccc(Cl)c(Cl)c1 ZINC000553559153 1040179460 /nfs/dbraw/zinc/17/94/60/1040179460.db2.gz FKPODZQBOQBPLI-GFCCVEGCSA-N -1 0 332.256 3.765 20 0 EHADRM CC1(C)CCN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)C[C@@H]1c1ccccc1 ZINC000907869789 1040220547 /nfs/dbraw/zinc/22/05/47/1040220547.db2.gz BPAVRGLFBMSJRT-IXDOHACOSA-N -1 0 329.440 3.530 20 0 EHADRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)c3cc4cc(Cl)ccc4s3)[C@@H]2C1 ZINC000907946497 1040239755 /nfs/dbraw/zinc/23/97/55/1040239755.db2.gz RZSAYMFOSOJDEZ-LGOOBZPGSA-N -1 0 349.839 3.784 20 0 EHADRM Cc1cc(C(=O)N2CCc3c2cccc3C(=O)[O-])c(C)n1C(C)C ZINC000907975282 1040253915 /nfs/dbraw/zinc/25/39/15/1040253915.db2.gz CBQXQAKAAVRJLQ-UHFFFAOYSA-N -1 0 326.396 3.587 20 0 EHADRM CCCCN(C(=O)c1ccc2oc(=O)nc-2[n-]1)[C@@H](C)c1ccccc1 ZINC000667493989 1040268412 /nfs/dbraw/zinc/26/84/12/1040268412.db2.gz JZZHZXYNSDWAHH-ZDUSSCGKSA-N -1 0 339.395 3.932 20 0 EHADRM CN(C(=O)C1(CCc2ccccc2)CC1)c1cccc(CC(=O)[O-])c1 ZINC000908089146 1040282179 /nfs/dbraw/zinc/28/21/79/1040282179.db2.gz SSNJHEPGLMJNGZ-UHFFFAOYSA-N -1 0 337.419 3.690 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N(Cc1cccs1)Cc1ccncc1 ZINC000908090061 1040283604 /nfs/dbraw/zinc/28/36/04/1040283604.db2.gz OJMUDMISYAKDMX-UHFFFAOYSA-N -1 0 346.452 3.563 20 0 EHADRM CN(C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)c1cccc(CC(=O)[O-])c1 ZINC000908076956 1040288501 /nfs/dbraw/zinc/28/85/01/1040288501.db2.gz ISGGDOKUERFVAP-IAGOWNOFSA-N -1 0 343.810 3.734 20 0 EHADRM CCCC[C@@H](C(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1)C(C)C ZINC000908172751 1040316520 /nfs/dbraw/zinc/31/65/20/1040316520.db2.gz HHIYTGGSTVHIMQ-QRHJNKNDSA-N -1 0 341.517 3.694 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1Br ZINC000152131843 1040341889 /nfs/dbraw/zinc/34/18/89/1040341889.db2.gz CVTYPRWNBBSAHL-UHFFFAOYSA-N -1 0 344.205 3.697 20 0 EHADRM CC(C)c1occc1C(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC000908219132 1040345170 /nfs/dbraw/zinc/34/51/70/1040345170.db2.gz USWZXNDHECZQEL-UHFFFAOYSA-N -1 0 341.363 3.820 20 0 EHADRM CC(C)c1ccccc1C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC000908244515 1040367506 /nfs/dbraw/zinc/36/75/06/1040367506.db2.gz OUOZINSPWBWGEG-INIZCTEOSA-N -1 0 325.408 3.626 20 0 EHADRM Cc1occ(C(F)(F)F)c1C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC000908288419 1040383338 /nfs/dbraw/zinc/38/33/38/1040383338.db2.gz DKWPQYYOVBEOFY-LLVKDONJSA-N -1 0 347.333 3.618 20 0 EHADRM CCSc1n[n-]c(=NC(=O)c2ccc(F)c3ccccc23)s1 ZINC000479563293 1040388128 /nfs/dbraw/zinc/38/81/28/1040388128.db2.gz NBUZBGABYWSQSS-UHFFFAOYSA-N -1 0 333.413 3.617 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)CCC1 ZINC000908339224 1040400147 /nfs/dbraw/zinc/40/01/47/1040400147.db2.gz ZFOMFZIUFIYXPI-SJORKVTESA-N -1 0 347.430 3.861 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)c2cccc(C(F)F)c2)CCC1 ZINC000908338355 1040400384 /nfs/dbraw/zinc/40/03/84/1040400384.db2.gz JSQRIRCATIBRGO-UHFFFAOYSA-N -1 0 325.355 3.779 20 0 EHADRM CC(C)(C(=O)NCCCCC1(C(=O)[O-])CCC1)c1ccc(F)cc1 ZINC000908342128 1040402186 /nfs/dbraw/zinc/40/21/86/1040402186.db2.gz QERCUFSOHOPWRW-UHFFFAOYSA-N -1 0 335.419 3.645 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)CCc2c[nH]c3ccccc23)CCC1 ZINC000908353630 1040407788 /nfs/dbraw/zinc/40/77/88/1040407788.db2.gz DOICFXSCTQSVHE-UHFFFAOYSA-N -1 0 342.439 3.642 20 0 EHADRM C[C@H](C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC000908382479 1040425784 /nfs/dbraw/zinc/42/57/84/1040425784.db2.gz GWGDMRAOTRKYLN-COPLHBTASA-N -1 0 343.345 3.569 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CC=CCC1)c1ccc(C(F)(F)F)cc1 ZINC000908408097 1040435657 /nfs/dbraw/zinc/43/56/57/1040435657.db2.gz PDLSPQZLKPKAQU-OCCSQVGLSA-N -1 0 341.329 3.694 20 0 EHADRM O=c1c2c([n-]n1-c1ccc(F)cc1Br)CCCCC2 ZINC000614186230 1040445178 /nfs/dbraw/zinc/44/51/78/1040445178.db2.gz YUEMCIZRHJDJLR-SNVBAGLBSA-N -1 0 325.181 3.871 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2C[C@@H](c3ccc(C)cc3)C[C@@H]2C)s1 ZINC000486792873 1040452635 /nfs/dbraw/zinc/45/26/35/1040452635.db2.gz VEEHTXQUDYBBCZ-ZFWWWQNUSA-N -1 0 344.484 3.631 20 0 EHADRM CCC(C)(CC)NS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000500078280 1040454597 /nfs/dbraw/zinc/45/45/97/1040454597.db2.gz UOFSCKHZSSERNH-UHFFFAOYSA-N -1 0 327.343 3.702 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)Nc1cccc(COC(C)(C)C)c1)C1CC1 ZINC000908636802 1040544720 /nfs/dbraw/zinc/54/47/20/1040544720.db2.gz VFXABCUFJIZPCS-MRXNPFEDSA-N -1 0 348.443 3.861 20 0 EHADRM Cc1occ(C(F)(F)F)c1C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000908650973 1040555599 /nfs/dbraw/zinc/55/55/99/1040555599.db2.gz JEOLNDQWGOQCOD-UHFFFAOYSA-N -1 0 339.269 3.508 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccccc1)c1ccc(-c2ccccc2F)o1 ZINC000042232166 1040561618 /nfs/dbraw/zinc/56/16/18/1040561618.db2.gz VGONASGBFOOZMO-UHFFFAOYSA-N -1 0 345.351 3.779 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2CCOC3(CCCC3)C2)cc1Cl ZINC000908684523 1040572587 /nfs/dbraw/zinc/57/25/87/1040572587.db2.gz SZLCNGAYNRZFOD-LLVKDONJSA-N -1 0 337.803 3.716 20 0 EHADRM COc1cccc(Cc2n[n-]c(=NCc3ccc4ccccc4c3)o2)c1 ZINC000479774494 1040593698 /nfs/dbraw/zinc/59/36/98/1040593698.db2.gz FPTFXZCBVNQPHB-UHFFFAOYSA-N -1 0 345.402 3.856 20 0 EHADRM CC[C@H](CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2)c1ccccc1 ZINC000908704548 1040599810 /nfs/dbraw/zinc/59/98/10/1040599810.db2.gz JRXISPSCEGNMKR-APMMTJHUSA-N -1 0 329.440 3.722 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3CCc4ccc(Cl)cc43)(CC1)CC2 ZINC000908804980 1040659534 /nfs/dbraw/zinc/65/95/34/1040659534.db2.gz ZOMLYIOADKHRHI-UHFFFAOYSA-N -1 0 333.815 3.654 20 0 EHADRM Cc1c(NC(=O)c2coc(C3CCCCC3)n2)cccc1C(=O)[O-] ZINC000908841600 1040677576 /nfs/dbraw/zinc/67/75/76/1040677576.db2.gz GFVUNCDDXGLPHH-UHFFFAOYSA-N -1 0 328.368 3.981 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C=C1CCSCC1 ZINC000908899311 1040706834 /nfs/dbraw/zinc/70/68/34/1040706834.db2.gz SVRHGFMZOMXCPX-UHFFFAOYSA-N -1 0 335.425 3.564 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)NC[C@H]2CCCCC(F)(F)C2)s1 ZINC000490743610 1040717804 /nfs/dbraw/zinc/71/78/04/1040717804.db2.gz NLWSMCHGSHFBKU-JTQLQIEISA-N -1 0 346.447 3.595 20 0 EHADRM CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000512747968 1040755066 /nfs/dbraw/zinc/75/50/66/1040755066.db2.gz WDCAXLONVANJFJ-UHFFFAOYSA-N -1 0 347.436 3.525 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cscc1C(F)F)c1ccccc1 ZINC000909063918 1040786883 /nfs/dbraw/zinc/78/68/83/1040786883.db2.gz BDWZZRPZKJEIGM-TVQRCGJNSA-N -1 0 339.363 3.878 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)CC1CC(OC(C)(C)C)C1)c1ccccc1 ZINC000909065231 1040787699 /nfs/dbraw/zinc/78/76/99/1040787699.db2.gz BVUZWGZBIMYTPO-UESGHJTASA-N -1 0 347.455 3.548 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2Cl)cc1 ZINC000487249593 1040835177 /nfs/dbraw/zinc/83/51/77/1040835177.db2.gz IKDWDHNBPXTRLP-UHFFFAOYSA-N -1 0 325.817 3.712 20 0 EHADRM Cc1c(-c2cccc(CO[C@H]3CCOC3)c2)ccc(F)c1C(=O)[O-] ZINC000899633213 1040884026 /nfs/dbraw/zinc/88/40/26/1040884026.db2.gz QLNJWNLJHHRKQW-HNNXBMFYSA-N -1 0 330.355 3.805 20 0 EHADRM Cc1c(-c2ccccc2OC[C@@H]2CCOC2)ccc(F)c1C(=O)[O-] ZINC000899634005 1040887448 /nfs/dbraw/zinc/88/74/48/1040887448.db2.gz NZSPLYYOXVNXEF-CYBMUJFWSA-N -1 0 330.355 3.915 20 0 EHADRM C/C(=C/C(C)(C)C)C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000909266281 1040906720 /nfs/dbraw/zinc/90/67/20/1040906720.db2.gz DUIUJLCDUXJACT-OWBHPGMISA-N -1 0 333.428 3.539 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)cc1O ZINC000471120326 1040962004 /nfs/dbraw/zinc/96/20/04/1040962004.db2.gz HZVBGOSLABCMQK-UHFFFAOYSA-N -1 0 329.780 3.602 20 0 EHADRM Cc1ccc(OCc2ccccc2)c(NC(=O)[C@@H](C)CC(=O)[O-])c1 ZINC000909728930 1040970824 /nfs/dbraw/zinc/97/08/24/1040970824.db2.gz TWWXDNNKBVILHT-AWEZNQCLSA-N -1 0 327.380 3.623 20 0 EHADRM COc1cc(NC(=O)CC(C)(C)CC(F)(F)F)ccc1C(=O)[O-] ZINC000909731524 1040984463 /nfs/dbraw/zinc/98/44/63/1040984463.db2.gz ADZOJPSCWHXMIJ-UHFFFAOYSA-N -1 0 333.306 3.701 20 0 EHADRM O=C(N[C@H]1CCc2c1cccc2O)c1ccc2[n-]c(=S)oc2c1 ZINC000074677376 1040985349 /nfs/dbraw/zinc/98/53/49/1040985349.db2.gz ZWADMRBERIRBAS-LBPRGKRZSA-N -1 0 326.377 3.613 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC000909733428 1040986068 /nfs/dbraw/zinc/98/60/68/1040986068.db2.gz RWNDSERAGXAUQH-UHFFFAOYSA-N -1 0 345.399 3.512 20 0 EHADRM CC(C)C1CCC(N(C)C(=O)c2nn(-c3ccccc3)cc2[O-])CC1 ZINC000487602696 1040986431 /nfs/dbraw/zinc/98/64/31/1040986431.db2.gz DOTULTINAZQFTA-UHFFFAOYSA-N -1 0 341.455 3.865 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1ccn(C2CCCC2)n1 ZINC000163707950 1041000749 /nfs/dbraw/zinc/00/07/49/1041000749.db2.gz FZJSALLZPMWTLL-UHFFFAOYSA-N -1 0 328.397 3.680 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)CC[C@@H]2CCc3ccccc32)s1 ZINC000909850097 1041027098 /nfs/dbraw/zinc/02/70/98/1041027098.db2.gz AQNSWIPRPAQWPV-ZDUSSCGKSA-N -1 0 329.421 3.573 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)C[C@@H]2CCC3(CCC3)CO2)c1 ZINC000909833195 1041032383 /nfs/dbraw/zinc/03/23/83/1041032383.db2.gz YFYRYPCXHVUAIX-CJNGLKHVSA-N -1 0 331.412 3.553 20 0 EHADRM CC(C)(C)SCCCC(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000909862356 1041050442 /nfs/dbraw/zinc/05/04/42/1041050442.db2.gz NWQZVAJXUWPEDP-IBGZPJMESA-N -1 0 349.496 3.553 20 0 EHADRM CC[C@H]1CCCN1C(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1 ZINC000481546362 1041053554 /nfs/dbraw/zinc/05/35/54/1041053554.db2.gz RTNXHBIGXJIBHX-LBPRGKRZSA-N -1 0 336.848 3.687 20 0 EHADRM Cc1ccc([C@H](NC(=O)c2cc(F)c(F)c([O-])c2F)C2CC2)cc1 ZINC000509809646 1041071667 /nfs/dbraw/zinc/07/16/67/1041071667.db2.gz QQEPOBPLTVQATP-INIZCTEOSA-N -1 0 335.325 3.999 20 0 EHADRM CCOc1ccc(NC(=O)C[C@@H](C(=O)[O-])c2ccc(C)cc2)c(C)c1 ZINC000899766038 1041095765 /nfs/dbraw/zinc/09/57/65/1041095765.db2.gz RGQLTUJBCZQTKG-QGZVFWFLSA-N -1 0 341.407 3.899 20 0 EHADRM Cc1ccc(-c2ccncc2)cc1NC(=O)[C@@H]1C[C@]1(C(=O)[O-])C(C)C ZINC000899767436 1041096674 /nfs/dbraw/zinc/09/66/74/1041096674.db2.gz RHCZGHCEHPXMOP-JXFKEZNVSA-N -1 0 338.407 3.742 20 0 EHADRM Cc1ccc(-c2ccncc2)cc1NC(=O)[C@H]1C[C@]1(C(=O)[O-])C(C)C ZINC000899767439 1041098251 /nfs/dbraw/zinc/09/82/51/1041098251.db2.gz RHCZGHCEHPXMOP-UZLBHIALSA-N -1 0 338.407 3.742 20 0 EHADRM Cc1ccc(-c2cccnc2)cc1NC(=O)[C@H]1C[C@]1(C(=O)[O-])C(C)C ZINC000899779005 1041102900 /nfs/dbraw/zinc/10/29/00/1041102900.db2.gz LZAPXTQPIVESRZ-UZLBHIALSA-N -1 0 338.407 3.742 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000899770234 1041108588 /nfs/dbraw/zinc/10/85/88/1041108588.db2.gz LDDLWJHPOURGSB-LBPRGKRZSA-N -1 0 331.334 3.867 20 0 EHADRM CC[C@@H](NC(=O)C[C@@H](C(=O)[O-])c1ccc(C)cc1)c1nc(C)cs1 ZINC000899773138 1041110102 /nfs/dbraw/zinc/11/01/02/1041110102.db2.gz YDIBIDONTRFKIX-HUUCEWRRSA-N -1 0 346.452 3.586 20 0 EHADRM CCC(=O)c1cccc(NC(=O)C[C@H](C(=O)[O-])c2ccc(C)cc2)c1 ZINC000899775202 1041111829 /nfs/dbraw/zinc/11/18/29/1041111829.db2.gz KHMHTKHYLHRAQT-KRWDZBQOSA-N -1 0 339.391 3.785 20 0 EHADRM CC(C)c1ccccc1NC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000555771632 1041125033 /nfs/dbraw/zinc/12/50/33/1041125033.db2.gz MTAFYVOLYMQXGX-SFHVURJKSA-N -1 0 340.423 3.970 20 0 EHADRM Cc1nccc(-c2cccc(NC(=O)[C@@H](CC(=O)[O-])CC(C)C)c2)n1 ZINC000899797462 1041134575 /nfs/dbraw/zinc/13/45/75/1041134575.db2.gz COQKANUARCKTGM-OAHLLOKOSA-N -1 0 341.411 3.528 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)N(C)[C@H](C)c1cc(F)ccc1F ZINC000899799139 1041136450 /nfs/dbraw/zinc/13/64/50/1041136450.db2.gz OKDDKAWKHOUFFA-VXGBXAGGSA-N -1 0 327.371 3.621 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1cc(Br)ccc1F ZINC000899800286 1041138928 /nfs/dbraw/zinc/13/89/28/1041138928.db2.gz WNEUJNCMNOHDFQ-VIFPVBQESA-N -1 0 346.196 3.664 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)NCc1ccccc1CC(F)(F)F ZINC000899794082 1041143064 /nfs/dbraw/zinc/14/30/64/1041143064.db2.gz HCSMSRBPCQUISH-CQSZACIVSA-N -1 0 345.361 3.545 20 0 EHADRM CC[C@@H](SC)C(=O)N1CCC([C@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000910030877 1041144606 /nfs/dbraw/zinc/14/46/06/1041144606.db2.gz DBDFODFFQPXSGP-IAGOWNOFSA-N -1 0 349.496 3.625 20 0 EHADRM CN(C[C@H]1CC=CCC1)C(=O)c1cc(Br)c(F)cc1[O-] ZINC000450549012 1041153947 /nfs/dbraw/zinc/15/39/47/1041153947.db2.gz ABDHEJYMXMDNNL-JTQLQIEISA-N -1 0 342.208 3.722 20 0 EHADRM Cc1ccc([C@H](CC(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)C(=O)[O-])cc1 ZINC000899803634 1041162077 /nfs/dbraw/zinc/16/20/77/1041162077.db2.gz RTEQLPNUYYNHSO-QIUZIFDCSA-N -1 0 341.451 3.590 20 0 EHADRM CCC[C@@H](C)[C@H]1CCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000500345307 1041162951 /nfs/dbraw/zinc/16/29/51/1041162951.db2.gz WDLYQDPTGZKVBE-CZUORRHYSA-N -1 0 345.418 3.758 20 0 EHADRM CSC1CCC(CNC(=O)C[C@H](C(=O)[O-])c2ccc(C)cc2)CC1 ZINC000899836422 1041180750 /nfs/dbraw/zinc/18/07/50/1041180750.db2.gz UWYJTZDAIQCFQE-PREGVCBESA-N -1 0 349.496 3.591 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)C[C@H](C(=O)[O-])c1ccc(C)cc1)C(F)(F)F ZINC000899829500 1041188938 /nfs/dbraw/zinc/18/89/38/1041188938.db2.gz CSAALWCYPNPIRQ-WHOFXGATSA-N -1 0 345.361 3.647 20 0 EHADRM CC[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])cs1)c1ccccc1 ZINC000910113713 1041197540 /nfs/dbraw/zinc/19/75/40/1041197540.db2.gz OYQSAKFGQJSVGQ-ZFWWWQNUSA-N -1 0 344.436 3.699 20 0 EHADRM Cc1ccc(-c2nnc(S(=O)(=O)[C@@H](C)c3cccc(C)c3)[n-]2)cc1 ZINC000571150592 1041206802 /nfs/dbraw/zinc/20/68/02/1041206802.db2.gz HUSIGMLBWPRYFO-AWEZNQCLSA-N -1 0 341.436 3.623 20 0 EHADRM O=C([O-])C1=CC[C@@H](NC(=O)C2(Cc3cccs3)CCCCC2)C1 ZINC000910202842 1041224090 /nfs/dbraw/zinc/22/40/90/1041224090.db2.gz ZAOMUCVVMYHXBO-CQSZACIVSA-N -1 0 333.453 3.531 20 0 EHADRM COc1cc([C@@H](C)NC(=O)C(C)(C)CCC(=O)[O-])cc2ccccc21 ZINC000899854087 1041236260 /nfs/dbraw/zinc/23/62/60/1041236260.db2.gz AYLNKPLAYVIOHR-CYBMUJFWSA-N -1 0 343.423 3.917 20 0 EHADRM C/C=C/C[C@@H](NC(=O)Nc1ccc2nc(C(C)C)sc2c1)C(=O)[O-] ZINC000555851723 1041241778 /nfs/dbraw/zinc/24/17/78/1041241778.db2.gz LBECIRRZPBLUSZ-MUBLQREKSA-N -1 0 347.440 3.961 20 0 EHADRM CC(F)(F)c1cccc(NC(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])c1 ZINC000571401730 1041285373 /nfs/dbraw/zinc/28/53/73/1041285373.db2.gz YYTSNZCYMJOBOD-ZLKJLUDKSA-N -1 0 338.354 3.515 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1O ZINC000093655260 1041430674 /nfs/dbraw/zinc/43/06/74/1041430674.db2.gz GZHOCYAEOOIPQO-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1c[nH]cc1-c1ccccc1)CC(=O)[O-] ZINC000652086151 1041452543 /nfs/dbraw/zinc/45/25/43/1041452543.db2.gz MMEHTFMOSWJMQN-AWEZNQCLSA-N -1 0 328.412 3.549 20 0 EHADRM C[C@@]1(NC(=O)Cc2ccc(Cl)cc2Cl)CCCC[C@H]1C(=O)[O-] ZINC000432104490 1041594803 /nfs/dbraw/zinc/59/48/03/1041594803.db2.gz AFQBNFMLZIKNTN-BLLLJJGKSA-N -1 0 344.238 3.686 20 0 EHADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)CC1CCCCCC1 ZINC000432115061 1041610808 /nfs/dbraw/zinc/61/08/08/1041610808.db2.gz WHLLWGZVWCMXOT-GOSISDBHSA-N -1 0 331.456 3.939 20 0 EHADRM CC(C)c1cc(C(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])nn1C(C)(C)C ZINC000432130981 1041626936 /nfs/dbraw/zinc/62/69/36/1041626936.db2.gz UTUVFUMPRULXKL-DJJJIMSYSA-N -1 0 349.475 3.525 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)Cc1csc(-c2cccs2)n1 ZINC000320677726 1041644189 /nfs/dbraw/zinc/64/41/89/1041644189.db2.gz OESSZNMDRBNIDN-UHFFFAOYSA-N -1 0 344.417 3.751 20 0 EHADRM CC(C)Sc1ccccc1NC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000647697376 1041760910 /nfs/dbraw/zinc/76/09/10/1041760910.db2.gz FJVPKRFPAPLQFQ-STQMWFEESA-N -1 0 336.457 3.762 20 0 EHADRM Cc1ccc(CN(C)Cc2nc(=O)c3sccc3[n-]2)c(Cl)c1 ZINC000651763891 1042009531 /nfs/dbraw/zinc/00/95/31/1042009531.db2.gz SJOVAYJODIUFKF-UHFFFAOYSA-N -1 0 333.844 3.991 20 0 EHADRM CCCCCC[C@](C)(NC(=O)C[C@H]1OCCc2ccccc21)C(=O)[O-] ZINC000236722219 1042076128 /nfs/dbraw/zinc/07/61/28/1042076128.db2.gz QMJTXLCLPFROPW-XLIONFOSSA-N -1 0 347.455 3.620 20 0 EHADRM CCCCCC[C@](C)(NC(=O)c1cccc2ncccc21)C(=O)[O-] ZINC000236732529 1042176379 /nfs/dbraw/zinc/17/63/79/1042176379.db2.gz KCEXYLKKGWXBFR-IBGZPJMESA-N -1 0 328.412 3.778 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1c1ccc2cccc(Br)c2n1 ZINC000662892581 1042199496 /nfs/dbraw/zinc/19/94/96/1042199496.db2.gz FJALGVFLOTULPZ-PWSUYJOCSA-N -1 0 349.228 3.687 20 0 EHADRM O=C([O-])[C@@H]1CN(c2ncc(Cl)cc2Cl)C[C@H]1c1ccccc1 ZINC000662899830 1042210726 /nfs/dbraw/zinc/21/07/26/1042210726.db2.gz YVLFZNUHXPFGKV-QWHCGFSZSA-N -1 0 337.206 3.693 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)CC(C)(C)CC(F)(F)F ZINC000909370961 1042250128 /nfs/dbraw/zinc/25/01/28/1042250128.db2.gz PXYMCGWFTWEUTJ-CYBMUJFWSA-N -1 0 345.361 3.996 20 0 EHADRM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)[N-]OCCC(F)(F)F ZINC000162818059 1042389603 /nfs/dbraw/zinc/38/96/03/1042389603.db2.gz UGOTWWUTDSMMKE-NSHDSACASA-N -1 0 333.350 3.752 20 0 EHADRM CC[C@H](C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccc(F)cc1 ZINC000653328093 1042394827 /nfs/dbraw/zinc/39/48/27/1042394827.db2.gz DJQYQDHGQBHJSU-BMGDILEWSA-N -1 0 341.382 3.749 20 0 EHADRM CC(C)[C@H](CNC(=O)CC1(C(=O)[O-])CCCC1)Cc1ccccc1 ZINC000468922518 1042432885 /nfs/dbraw/zinc/43/28/85/1042432885.db2.gz KUTBHRZRGVZYEQ-KRWDZBQOSA-N -1 0 331.456 3.653 20 0 EHADRM O=C([O-])C1(C(=O)N[C@H]2CCSc3ccccc32)CCCCCC1 ZINC000663084955 1042432961 /nfs/dbraw/zinc/43/29/61/1042432961.db2.gz NEHCGGOKEWWYRR-AWEZNQCLSA-N -1 0 333.453 3.765 20 0 EHADRM Cc1c2ccccc2nc(C[N@H+]2CCS[C@@H](C)[C@H]2C)c1C(=O)[O-] ZINC000652418712 1042467010 /nfs/dbraw/zinc/46/70/10/1042467010.db2.gz IKSINJLAJFLGSP-OLZOCXBDSA-N -1 0 330.453 3.567 20 0 EHADRM O=C([O-])CC1(NC(=O)c2ccc(F)c(Cl)c2F)CCCCC1 ZINC000663119835 1042468347 /nfs/dbraw/zinc/46/83/47/1042468347.db2.gz OSGYHHILCXGSKO-UHFFFAOYSA-N -1 0 331.746 3.526 20 0 EHADRM O=C([O-])[C@H](c1ccc(F)cc1)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000652434948 1042474821 /nfs/dbraw/zinc/47/48/21/1042474821.db2.gz ILCHIEQMRLQEJP-PBHICJAKSA-N -1 0 349.789 3.758 20 0 EHADRM CCOc1ccc(OC)cc1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184377978 1042490900 /nfs/dbraw/zinc/49/09/00/1042490900.db2.gz OIMVYUSNZVPEHJ-UHFFFAOYSA-N -1 0 339.750 3.844 20 0 EHADRM COc1ccc(-c2nc(C[N@H+](CCC(=O)[O-])CC3CC3)cs2)cc1 ZINC000652468599 1042492709 /nfs/dbraw/zinc/49/27/09/1042492709.db2.gz LYCSRCWSSCMYMG-UHFFFAOYSA-N -1 0 346.452 3.505 20 0 EHADRM O=C(Nc1ccc2c(c1)C(=O)CCC2)c1cc(F)c([O-])c(Cl)c1 ZINC000184480250 1042560315 /nfs/dbraw/zinc/56/03/15/1042560315.db2.gz BDKHBHZYWIYXBD-UHFFFAOYSA-N -1 0 333.746 3.956 20 0 EHADRM CCCn1nccc1CN[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000663263316 1042611757 /nfs/dbraw/zinc/61/17/57/1042611757.db2.gz YDOATXLVDPACGM-CQSZACIVSA-N -1 0 342.226 3.515 20 0 EHADRM CCN(CC(=O)Nc1c(C(C)C)cccc1C(C)C)[C@H](C)C(=O)[O-] ZINC000662218280 1042613142 /nfs/dbraw/zinc/61/31/42/1042613142.db2.gz WIPIMYZBWGRMOW-CQSZACIVSA-N -1 0 334.460 3.667 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])Cc1coc(-c2cccc(Cl)c2)n1 ZINC000662225468 1042616356 /nfs/dbraw/zinc/61/63/56/1042616356.db2.gz AIHISUDPKZADLR-UHFFFAOYSA-N -1 0 336.819 3.928 20 0 EHADRM CC(C)Nc1ccc(Cl)cc1NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-] ZINC000602003434 1042653000 /nfs/dbraw/zinc/65/30/00/1042653000.db2.gz HOYQJFXIVSBZJR-UWVGGRQHSA-N -1 0 344.864 3.694 20 0 EHADRM CCc1cc(C)cc(CC)c1NC(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663353604 1042743498 /nfs/dbraw/zinc/74/34/98/1042743498.db2.gz AIYJOFVFWYCUQB-MRXNPFEDSA-N -1 0 332.444 3.742 20 0 EHADRM FC(F)c1n[n-]c(=NC[C@H](Cc2ccccc2)c2ccccc2)o1 ZINC000432319473 1042842641 /nfs/dbraw/zinc/84/26/41/1042842641.db2.gz GMCKIEGKXZKFFO-HNNXBMFYSA-N -1 0 329.350 3.868 20 0 EHADRM C[C@H](C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccc(Cl)s1 ZINC000653331281 1042881519 /nfs/dbraw/zinc/88/15/19/1042881519.db2.gz PCFRBHDSBVSYKR-BIMULSAOSA-N -1 0 349.839 3.934 20 0 EHADRM Cc1cc(=NC(=O)c2ccc(-c3ccc(F)cc3)s2)[n-]nc1C ZINC000604233366 1042889362 /nfs/dbraw/zinc/88/93/62/1042889362.db2.gz YXSUCJSLHYXMDX-UHFFFAOYSA-N -1 0 327.384 3.635 20 0 EHADRM C[C@H](CC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccc(F)cc1 ZINC000653331338 1042890023 /nfs/dbraw/zinc/89/00/23/1042890023.db2.gz PVHPKZCYKARWPJ-NXOUGTEYSA-N -1 0 341.382 3.749 20 0 EHADRM CC(C)CC[C@H](NC(=O)N=c1[n-]nc(C(F)F)s1)C(C)(C)C ZINC000604618736 1042975052 /nfs/dbraw/zinc/97/50/52/1042975052.db2.gz VAIBFBARKFTPPT-VIFPVBQESA-N -1 0 334.436 3.870 20 0 EHADRM Cc1ccccc1SCC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000653332308 1042978628 /nfs/dbraw/zinc/97/86/28/1042978628.db2.gz ASVQXQVRINZVBI-HOTGVXAUSA-N -1 0 341.432 3.517 20 0 EHADRM O=C([O-])[C@@H](CC(F)(F)F)NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000314805385 1042982093 /nfs/dbraw/zinc/98/20/93/1042982093.db2.gz ORWYWDQVLUXFCA-MRVPVSSYSA-N -1 0 345.104 3.521 20 0 EHADRM O=S(=O)([N-]c1cnccc1-c1ccccc1)c1ccccc1F ZINC000432355423 1042992719 /nfs/dbraw/zinc/99/27/19/1042992719.db2.gz DTZPNRXPOLEXSR-UHFFFAOYSA-N -1 0 328.368 3.689 20 0 EHADRM O=C([O-])[C@H]1CCCCCN1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000321981738 1043006029 /nfs/dbraw/zinc/00/60/29/1043006029.db2.gz JPFCBFNDRIJFMJ-GFCCVEGCSA-N -1 0 330.306 3.567 20 0 EHADRM CC(C)CCN(CCC(C)C)S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000316281345 1043014135 /nfs/dbraw/zinc/01/41/35/1043014135.db2.gz JUTDPEHHDMXZCZ-UHFFFAOYSA-N -1 0 347.502 3.529 20 0 EHADRM COc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2F)cc1OC(C)C ZINC000432135334 1043014452 /nfs/dbraw/zinc/01/44/52/1043014452.db2.gz ZPVLZYALKVUNLI-UHFFFAOYSA-N -1 0 347.342 3.572 20 0 EHADRM CC(F)(F)c1ccc(C(=O)N=c2nc(-c3ccccc3)[n-]s2)cc1 ZINC000432414014 1043132467 /nfs/dbraw/zinc/13/24/67/1043132467.db2.gz JARVQCZCGAOVGO-UHFFFAOYSA-N -1 0 345.374 3.991 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(CCC(=O)[O-])c2)c(C)n1C1CC1 ZINC000344049260 1043167270 /nfs/dbraw/zinc/16/72/70/1043167270.db2.gz QCTONSDCLAZOOI-UHFFFAOYSA-N -1 0 326.396 3.709 20 0 EHADRM C[C@H]1CCCC[C@@H]1CC(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000647759981 1043829635 /nfs/dbraw/zinc/82/96/35/1043829635.db2.gz QINAXHLAIXQVQY-HPBDAGMYSA-N -1 0 329.440 3.530 20 0 EHADRM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647761947 1044453632 /nfs/dbraw/zinc/45/36/32/1044453632.db2.gz BOKKOCSXCFYERD-HNNXBMFYSA-N -1 0 346.471 3.778 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000261601385 1044508494 /nfs/dbraw/zinc/50/84/94/1044508494.db2.gz BHZCHVKJNCBGLE-DFBGVHRSSA-N -1 0 345.370 3.738 20 0 EHADRM CC(C)N(C(=O)c1cc(Br)cc(F)c1[O-])C1CCC1 ZINC000866018231 1137324506 /nfs/dbraw/zinc/32/45/06/1137324506.db2.gz LHHFJJXFMUJEDN-UHFFFAOYSA-N -1 0 330.197 3.697 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2nnc(C(C)C)o2)cc1 ZINC000153619269 1125637680 /nfs/dbraw/zinc/63/76/80/1125637680.db2.gz RGILOSUKTQQAKT-UHFFFAOYSA-N -1 0 337.445 3.681 20 0 EHADRM Cc1nnc(C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)s1 ZINC000622481089 1126705810 /nfs/dbraw/zinc/70/58/10/1126705810.db2.gz FQVLFTAFLOHNQG-UHFFFAOYSA-N -1 0 338.603 3.765 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)C[C@@]1(C(=O)[O-])CCSC1)c1ccccc1 ZINC000622602097 1126728220 /nfs/dbraw/zinc/72/82/20/1126728220.db2.gz REZDPXITBXPNMV-KXBFYZLASA-N -1 0 349.496 3.878 20 0 EHADRM Cc1cc(F)ccc1C[C@H](C)NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000622747835 1126757319 /nfs/dbraw/zinc/75/73/19/1126757319.db2.gz OUBVGHIJYNOXDU-JTQLQIEISA-N -1 0 339.769 3.993 20 0 EHADRM C[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1cccc(Cl)c1[O-] ZINC000172110461 1126780989 /nfs/dbraw/zinc/78/09/89/1126780989.db2.gz MICPEBRGRKXGDK-QMMMGPOBSA-N -1 0 327.714 3.730 20 0 EHADRM O=C(N=c1ccc(-c2ccc(Cl)s2)n[n-]1)[C@@H]1CCCCS1 ZINC000622929053 1126831026 /nfs/dbraw/zinc/83/10/26/1126831026.db2.gz AWYSGSQUXIGQTQ-NSHDSACASA-N -1 0 339.873 3.505 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)c1cc(F)c(Cl)cc1Cl ZINC000164615415 1126852304 /nfs/dbraw/zinc/85/23/04/1126852304.db2.gz GQPMJRLJKIZZMY-RISCZKNCSA-N -1 0 334.174 3.506 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CC[C@H](C)[C@H]3C)n2)c1 ZINC000176318862 1126911241 /nfs/dbraw/zinc/91/12/41/1126911241.db2.gz FAJYPAAKLNJTON-UONOGXRCSA-N -1 0 327.428 3.572 20 0 EHADRM Cc1nnc(-c2cccc(C(=O)Nc3cccc(Cl)c3[O-])c2)o1 ZINC000177443046 1126982248 /nfs/dbraw/zinc/98/22/48/1126982248.db2.gz DMAZVUXIQOPORM-UHFFFAOYSA-N -1 0 329.743 3.656 20 0 EHADRM Cc1n[nH]c2cc([N-]S(=O)(=O)c3cc(C)ccc3Cl)ccc12 ZINC000180355378 1127148039 /nfs/dbraw/zinc/14/80/39/1127148039.db2.gz FGSCJFSIFAZXAY-UHFFFAOYSA-N -1 0 335.816 3.634 20 0 EHADRM Fc1ccc(-c2noc(=N[C@H]3CCO[C@@H](c4ccccc4)C3)[n-]2)cc1 ZINC000624104718 1127252127 /nfs/dbraw/zinc/25/21/27/1127252127.db2.gz HMVMJUGEQZKWGC-DLBZAZTESA-N -1 0 339.370 3.630 20 0 EHADRM CCc1cccc(S(=O)(=O)Nc2ccc([C@H](C)CC(=O)[O-])cc2)c1 ZINC000181769064 1127295744 /nfs/dbraw/zinc/29/57/44/1127295744.db2.gz UNTPLNWYUBHHDM-CYBMUJFWSA-N -1 0 347.436 3.628 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)c(C)o1 ZINC000183139914 1127364581 /nfs/dbraw/zinc/36/45/81/1127364581.db2.gz VNQDOQBAZHMJPC-UHFFFAOYSA-N -1 0 342.420 3.683 20 0 EHADRM O=S(=O)([N-]c1nnc(C2CC2)o1)c1ccc(Cl)c2ccccc21 ZINC000194729097 1127466328 /nfs/dbraw/zinc/46/63/28/1127466328.db2.gz MHSLHYUVQXEGRT-UHFFFAOYSA-N -1 0 349.799 3.554 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)cc(C)c2O)s1 ZINC000381173253 1127478518 /nfs/dbraw/zinc/47/85/18/1127478518.db2.gz ONKFPFTZRQIJNA-UHFFFAOYSA-N -1 0 331.846 3.833 20 0 EHADRM O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1scnc1Cl ZINC000764535574 1127504523 /nfs/dbraw/zinc/50/45/23/1127504523.db2.gz ARNIOEVBTMJPCR-ARJAWSKDSA-N -1 0 338.801 3.664 20 0 EHADRM Cc1ccc2cccc(S(=O)(=O)[N-]c3cnc(Cl)cc3C)c2n1 ZINC000764550001 1127505931 /nfs/dbraw/zinc/50/59/31/1127505931.db2.gz DITMYCQHQFAYDP-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM CCC[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(C(C)C)c1)C(C)C ZINC000764685941 1127522996 /nfs/dbraw/zinc/52/29/96/1127522996.db2.gz HYWMYEBOAOSBGR-MRXNPFEDSA-N -1 0 325.474 3.687 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C2CCC(C(F)(F)F)CC2)C1 ZINC000325416798 1127574563 /nfs/dbraw/zinc/57/45/63/1127574563.db2.gz GVHHEAVLWKBUGK-WXRRBKDZSA-N -1 0 349.393 3.705 20 0 EHADRM CC(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2[O-])cc1Cl ZINC000022325673 1127688792 /nfs/dbraw/zinc/68/87/92/1127688792.db2.gz AGFRBLOGAGOOON-UHFFFAOYSA-N -1 0 339.178 3.910 20 0 EHADRM CCCOc1cccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1 ZINC000060442870 1128101780 /nfs/dbraw/zinc/10/17/80/1128101780.db2.gz PQIIIWURLIYQEN-UHFFFAOYSA-N -1 0 345.342 3.694 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)c2n[nH]cc21 ZINC000063635248 1128149770 /nfs/dbraw/zinc/14/97/70/1128149770.db2.gz ONBYOYRWBDKTJI-UHFFFAOYSA-N -1 0 335.816 3.634 20 0 EHADRM O=C(NC[C@]12C[C@H]1CCC2)c1cc(Br)cc(Cl)c1[O-] ZINC001649076105 1128151607 /nfs/dbraw/zinc/15/16/07/1128151607.db2.gz PNBNMNWHQMXAPI-CLAHSXSESA-N -1 0 344.636 3.728 20 0 EHADRM O=S(=O)([N-]Cc1cccc2ccccc21)c1c(F)cccc1F ZINC000063764510 1128155598 /nfs/dbraw/zinc/15/55/98/1128155598.db2.gz KYDLVEVDBXSEAM-UHFFFAOYSA-N -1 0 333.359 3.597 20 0 EHADRM COc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cccc(C)c1 ZINC000033633096 1128283176 /nfs/dbraw/zinc/28/31/76/1128283176.db2.gz UEYFIJZEXOHJMK-UHFFFAOYSA-N -1 0 345.342 3.823 20 0 EHADRM COc1cccc(C2(C(=O)Nc3cc(F)cc(Cl)c3[O-])CC2)c1 ZINC000671797603 1128362642 /nfs/dbraw/zinc/36/26/42/1128362642.db2.gz BCPWFAYROXGYTN-UHFFFAOYSA-N -1 0 335.762 3.864 20 0 EHADRM O=C([N-]S(=O)(=O)CC1CC1)[C@H](Oc1ccccc1)c1ccccc1 ZINC000073537113 1128393353 /nfs/dbraw/zinc/39/33/53/1128393353.db2.gz DUASZUNKCDTMSJ-QGZVFWFLSA-N -1 0 345.420 3.503 20 0 EHADRM C[C@@H](Cl)c1nc(=O)c2sc(-c3ccc4c(c3)OCCO4)cc2[n-]1 ZINC000053854216 1128424033 /nfs/dbraw/zinc/42/40/33/1128424033.db2.gz GUNRIJGFELSLCI-MRVPVSSYSA-N -1 0 348.811 3.723 20 0 EHADRM CC(C)[C@H](CC1CCCC1)C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000671855397 1128426739 /nfs/dbraw/zinc/42/67/39/1128426739.db2.gz FSRVYGAPNMMIQK-INIZCTEOSA-N -1 0 342.443 3.968 20 0 EHADRM C[C@@H]1CCC(C)(C)N1C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000616164689 1128452736 /nfs/dbraw/zinc/45/27/36/1128452736.db2.gz GEUBBMPJNVKGQJ-LLVKDONJSA-N -1 0 333.819 3.634 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ncc(C(F)(F)F)s2)c1 ZINC000473761218 1128454311 /nfs/dbraw/zinc/45/43/11/1128454311.db2.gz MBUSBMXMBIKHHQ-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM C[C@H](c1ccc(Cl)cc1Cl)N1CCSC[C@@H]1CC(=O)[O-] ZINC000091133779 1128456067 /nfs/dbraw/zinc/45/60/67/1128456067.db2.gz ABOLKOAWOIYOGD-KOLCDFICSA-N -1 0 334.268 3.947 20 0 EHADRM FC(F)(F)c1cc(CN=c2[n-]nc(C(F)(F)F)s2)cs1 ZINC000624702880 1128460785 /nfs/dbraw/zinc/46/07/85/1128460785.db2.gz BCXSZKPESOPQFD-UHFFFAOYSA-N -1 0 333.282 3.671 20 0 EHADRM Cc1ncc(-c2nc(-c3ccc4[n-]c(=S)sc4c3)no2)c(C)n1 ZINC001212416748 1128480382 /nfs/dbraw/zinc/48/03/82/1128480382.db2.gz JCDKBQYNSFBQOU-UHFFFAOYSA-N -1 0 341.421 3.709 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2nn(-c3ccccc3)cc2C)cc1 ZINC000106724207 1128508857 /nfs/dbraw/zinc/50/88/57/1128508857.db2.gz SDTWWPQMBSGYGA-UHFFFAOYSA-N -1 0 341.436 3.544 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cc(C(C)(C)C)[nH]n2)c1C ZINC000107356726 1128534263 /nfs/dbraw/zinc/53/42/63/1128534263.db2.gz TZYGVBUOCJMZDB-UHFFFAOYSA-N -1 0 335.473 3.742 20 0 EHADRM CC(C)(C)c1nnc([N-]C(=O)c2cc(-c3cccc(F)c3)no2)s1 ZINC000055977014 1128539369 /nfs/dbraw/zinc/53/93/69/1128539369.db2.gz QENOPYCDLBPXRZ-UHFFFAOYSA-N -1 0 346.387 3.882 20 0 EHADRM O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1cccc(Cl)c1[O-] ZINC000765844422 1128543643 /nfs/dbraw/zinc/54/36/43/1128543643.db2.gz WHEXZXHUMYRNNW-XJKSGUPXSA-N -1 0 331.799 3.696 20 0 EHADRM C[C@H](N=c1nc(C(C)(C)C)o[n-]1)c1nc2ccccc2n1C(F)F ZINC000542765781 1128592818 /nfs/dbraw/zinc/59/28/18/1128592818.db2.gz OOLGHJOPHJSDSP-VIFPVBQESA-N -1 0 335.358 3.707 20 0 EHADRM COc1ccccc1C(C)(C)CNC(=O)c1ccc([O-])c(Cl)c1 ZINC000063342150 1128872080 /nfs/dbraw/zinc/87/20/80/1128872080.db2.gz CDLRUWOBEBJECE-UHFFFAOYSA-N -1 0 333.815 3.762 20 0 EHADRM Cc1csc(CCCCNC(=O)c2ccc3[n-]c(=S)oc3c2)n1 ZINC000172751666 1128901184 /nfs/dbraw/zinc/90/11/84/1128901184.db2.gz SGIZGLPJCRQOJY-UHFFFAOYSA-N -1 0 347.465 3.634 20 0 EHADRM COc1cc(Nc2ccc(C#N)cc2Br)ccc1C(=O)[O-] ZINC000227178800 1120326750 /nfs/dbraw/zinc/32/67/50/1120326750.db2.gz FJOSXSIJFQNJLK-UHFFFAOYSA-N -1 0 347.168 3.771 20 0 EHADRM CSc1cccc(C)c1[N-]S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000185339735 1120410102 /nfs/dbraw/zinc/41/01/02/1120410102.db2.gz RGIHNIDDTQCGHI-UHFFFAOYSA-N -1 0 335.450 3.720 20 0 EHADRM COc1ccc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)cc1Cl ZINC000013249356 1128917026 /nfs/dbraw/zinc/91/70/26/1128917026.db2.gz KSXIWNFKXDZZDO-ZDUSSCGKSA-N -1 0 333.771 3.546 20 0 EHADRM Cc1c2ccccc2nc(-c2ccc3c(c2)OCCCO3)c1CC(=O)[O-] ZINC000013317106 1128926883 /nfs/dbraw/zinc/92/68/83/1128926883.db2.gz BSJFYBLTAKLHOD-UHFFFAOYSA-N -1 0 349.386 3.999 20 0 EHADRM CCc1cccc(CC)c1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000494551604 1120600784 /nfs/dbraw/zinc/60/07/84/1120600784.db2.gz BMDFDRMDQSTZCY-UHFFFAOYSA-N -1 0 325.380 3.890 20 0 EHADRM CC[C@@H](C)[C@H](C)N(C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)C1CC1 ZINC000172780857 1128930304 /nfs/dbraw/zinc/93/03/04/1128930304.db2.gz CDMYHZWEPFHPEF-CABCVRRESA-N -1 0 341.455 3.513 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)nn2)c(C)c1 ZINC000191034211 1120659034 /nfs/dbraw/zinc/65/90/34/1120659034.db2.gz JHFFUYAFCABJCW-UHFFFAOYSA-N -1 0 339.420 3.561 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)nn2)cc1C ZINC000191033175 1120659056 /nfs/dbraw/zinc/65/90/56/1120659056.db2.gz DHVZTDKMNWZHDY-UHFFFAOYSA-N -1 0 339.420 3.561 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2cnc(C)s2)c2ccccc12 ZINC000443470283 1120692269 /nfs/dbraw/zinc/69/22/69/1120692269.db2.gz UUTPNPJCBCFICO-UHFFFAOYSA-N -1 0 348.449 3.804 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)c2cccnc12 ZINC000193128963 1120759617 /nfs/dbraw/zinc/75/96/17/1120759617.db2.gz GLAYDMUVEKEXHF-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM CC(C)OCc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000194034946 1120817875 /nfs/dbraw/zinc/81/78/75/1120817875.db2.gz OUTQUXIDCPFNKS-UHFFFAOYSA-N -1 0 341.379 3.691 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000310479529 1128945354 /nfs/dbraw/zinc/94/53/54/1128945354.db2.gz NLWJEVSQLCPAPA-KRWDZBQOSA-N -1 0 339.435 3.759 20 0 EHADRM C/C(=C\c1ccccc1Cl)C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000761743988 1120867197 /nfs/dbraw/zinc/86/71/97/1120867197.db2.gz VWANJTNXKGBDGK-BYIUCRAPSA-N -1 0 343.810 3.728 20 0 EHADRM C/C(=C\C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC000762231895 1121199292 /nfs/dbraw/zinc/19/92/92/1121199292.db2.gz UUPPQUCMDHEHQP-IDCODDLRSA-N -1 0 337.419 3.682 20 0 EHADRM Cc1ccc(C2=CCN(C(=O)c3cc(F)c([O-])c(F)c3)CC2)cc1 ZINC000762554124 1121355345 /nfs/dbraw/zinc/35/53/45/1121355345.db2.gz CHGHOHQUCCMMPA-UHFFFAOYSA-N -1 0 329.346 3.908 20 0 EHADRM CC(C)c1ccc(OCCC(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000236677551 1121460281 /nfs/dbraw/zinc/46/02/81/1121460281.db2.gz NSNCCRKXDAOGLF-UHFFFAOYSA-N -1 0 341.407 3.594 20 0 EHADRM CC(C)(CC(=O)Nc1ccc(-c2cn3ccsc3n2)cc1)C(=O)[O-] ZINC000236804038 1121464693 /nfs/dbraw/zinc/46/46/93/1121464693.db2.gz LMKDQAMNGJYAJC-UHFFFAOYSA-N -1 0 343.408 3.502 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000236898290 1121468122 /nfs/dbraw/zinc/46/81/22/1121468122.db2.gz YIKXNRTXDMPIDI-NEPJUHHUSA-N -1 0 345.361 3.911 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000236910580 1121468447 /nfs/dbraw/zinc/46/84/47/1121468447.db2.gz XQOHSZOQUUBPQT-MVWJERBFSA-N -1 0 344.238 3.809 20 0 EHADRM CC[C@@H](C(=O)N[C@H](CC(C)C)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000236971755 1121470323 /nfs/dbraw/zinc/47/03/23/1121470323.db2.gz NWBYZOPCLLWWBD-ZIAGYGMSSA-N -1 0 345.361 3.815 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000237057132 1121471823 /nfs/dbraw/zinc/47/18/23/1121471823.db2.gz PGCWXMGDVLPCKA-UHFFFAOYSA-N -1 0 325.408 3.955 20 0 EHADRM CCc1ccc(CCC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000237166374 1121475200 /nfs/dbraw/zinc/47/52/00/1121475200.db2.gz GYHAXXLSALCCEU-MGPUTAFESA-N -1 0 339.435 3.760 20 0 EHADRM C[C@@H]1CCc2c(C(=O)N(C)Cc3ccc(C(=O)[O-])cc3)csc2C1 ZINC000237435346 1121483847 /nfs/dbraw/zinc/48/38/47/1121483847.db2.gz JJZNBOGVIGGYBF-GFCCVEGCSA-N -1 0 343.448 3.843 20 0 EHADRM C[C@@H](CC(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-])C1CCCCC1 ZINC000237454512 1121484101 /nfs/dbraw/zinc/48/41/01/1121484101.db2.gz IINSWBVRPNZPKC-MAUKXSAKSA-N -1 0 331.456 3.653 20 0 EHADRM Cc1ccc(CSCC(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000237757678 1121493730 /nfs/dbraw/zinc/49/37/30/1121493730.db2.gz JPGGMHYSMCYCTE-UHFFFAOYSA-N -1 0 343.448 3.884 20 0 EHADRM O=C(/C=C/c1ccc(C(=O)[O-])cc1)Nc1ccc(-c2cnco2)cc1 ZINC000237961278 1121499620 /nfs/dbraw/zinc/49/96/20/1121499620.db2.gz KUNTXYVUMGKUKF-XCVCLJGOSA-N -1 0 334.331 3.692 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)/C=C/c1cccc(C(F)(F)F)c1 ZINC000238089713 1121502747 /nfs/dbraw/zinc/50/27/47/1121502747.db2.gz VNRZRFTXFRSVJA-CMDGGOBGSA-N -1 0 349.308 3.984 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cc(-c2ccccc2)[nH]n1 ZINC000762964946 1121617609 /nfs/dbraw/zinc/61/76/09/1121617609.db2.gz RMWJJZCLPMYCEV-UHFFFAOYSA-N -1 0 336.376 3.759 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(Br)c2)c(C)s1 ZINC000032531816 1121958137 /nfs/dbraw/zinc/95/81/37/1121958137.db2.gz GSKBVOJGEORSLT-UHFFFAOYSA-N -1 0 346.271 3.928 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)c2ccccc2N2CCCCC2)s[n-]1 ZINC000496999850 1122244353 /nfs/dbraw/zinc/24/43/53/1122244353.db2.gz HSDCJZVQNPIHNZ-UHFFFAOYSA-N -1 0 344.484 3.500 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3cccnc32)c1 ZINC000123883742 1122267407 /nfs/dbraw/zinc/26/74/07/1122267407.db2.gz WOYARKADSUNZKG-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cc(C)ccc2Cl)c(C)c1 ZINC000124380713 1122283046 /nfs/dbraw/zinc/28/30/46/1122283046.db2.gz JDCOCGLFHFTSQE-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM Cc1occc1C(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000916814263 1122358469 /nfs/dbraw/zinc/35/84/69/1122358469.db2.gz ZCRVQKHXVALAQN-UHFFFAOYSA-N -1 0 347.436 3.754 20 0 EHADRM C[C@@H](CC(=O)N(CCC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC000013428674 1129073233 /nfs/dbraw/zinc/07/32/33/1129073233.db2.gz VACAARFSGUGSSI-INIZCTEOSA-N -1 0 325.408 3.684 20 0 EHADRM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262753848 1122830464 /nfs/dbraw/zinc/83/04/64/1122830464.db2.gz YLBHOPRYDZSVBO-HAQNSBGRSA-N -1 0 344.238 3.843 20 0 EHADRM C[C@H](Cc1ccccc1Cl)NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000918760325 1122908805 /nfs/dbraw/zinc/90/88/05/1122908805.db2.gz OPOXOUMYJBOYJT-MRVPVSSYSA-N -1 0 343.732 3.824 20 0 EHADRM C[C@@H]1C[C@@H](Sc2n[n-]c(=Nc3cccc(F)c3)s2)CCO1 ZINC000421840050 1122965434 /nfs/dbraw/zinc/96/54/34/1122965434.db2.gz YBXKNTAGUKWPJY-SKDRFNHKSA-N -1 0 325.434 3.502 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)[N-]OCCC(F)(F)F)c1 ZINC000154974297 1123051911 /nfs/dbraw/zinc/05/19/11/1123051911.db2.gz KALGPPQFAOSPSV-GFCCVEGCSA-N -1 0 333.350 3.886 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)[N-]OCCC(F)(F)F)c1 ZINC000154974183 1123051945 /nfs/dbraw/zinc/05/19/45/1123051945.db2.gz KALGPPQFAOSPSV-LBPRGKRZSA-N -1 0 333.350 3.886 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccncc3)cc2)CC1 ZINC000262875650 1123065068 /nfs/dbraw/zinc/06/50/68/1123065068.db2.gz DOPNENIMNOZJJR-HDJSIYSDSA-N -1 0 340.379 3.703 20 0 EHADRM C/C=C\C[C@H](NC(=O)N[C@@H](C)c1cccc2ccccc21)C(=O)[O-] ZINC000556681057 1123081365 /nfs/dbraw/zinc/08/13/65/1123081365.db2.gz MMJHHQODFVZVFL-SGSYGZRESA-N -1 0 326.396 3.619 20 0 EHADRM O=C([N-]OCCC(F)(F)F)C1c2ccccc2Oc2ccccc21 ZINC000155039998 1123105552 /nfs/dbraw/zinc/10/55/52/1123105552.db2.gz SLXHKTJGZDWSSX-UHFFFAOYSA-N -1 0 337.297 3.924 20 0 EHADRM CC(C)n1cnc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)c1 ZINC000131450978 1123111085 /nfs/dbraw/zinc/11/10/85/1123111085.db2.gz ZQKKICUZABMEJS-UHFFFAOYSA-N -1 0 334.228 3.572 20 0 EHADRM Cc1oncc1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000132605914 1123256423 /nfs/dbraw/zinc/25/64/23/1123256423.db2.gz PGUZCHAOOMSFJH-UHFFFAOYSA-N -1 0 341.603 3.744 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2O)c2ccccc12 ZINC000132703654 1123287474 /nfs/dbraw/zinc/28/74/74/1123287474.db2.gz QCAFROIXSYKIBF-UHFFFAOYSA-N -1 0 343.404 3.663 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N2CCCc3ccccc3C2)s1 ZINC000499236201 1123290425 /nfs/dbraw/zinc/29/04/25/1123290425.db2.gz OKTIFLWJBSICLH-UHFFFAOYSA-N -1 0 344.484 3.844 20 0 EHADRM Cc1cc2cccnc2c([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000132792112 1123301614 /nfs/dbraw/zinc/30/16/14/1123301614.db2.gz GLQSLRSNYUAJAH-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cccc3ccccc32)cc2n[nH]cc21 ZINC000499269973 1123324639 /nfs/dbraw/zinc/32/46/39/1123324639.db2.gz DOHVCUUAPVSPEL-UHFFFAOYSA-N -1 0 337.404 3.825 20 0 EHADRM Cc1csc(CCCC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)n1 ZINC000649245033 1123366789 /nfs/dbraw/zinc/36/67/89/1123366789.db2.gz JIQQYICANAAQMI-UHFFFAOYSA-N -1 0 338.816 3.765 20 0 EHADRM CCS[C@H](C(=O)Nc1ccc(OCCCC(=O)[O-])cc1)C(C)C ZINC000263130008 1123441952 /nfs/dbraw/zinc/44/19/52/1123441952.db2.gz GPTQZBPBYGFICI-INIZCTEOSA-N -1 0 339.457 3.646 20 0 EHADRM CCC[C@H](NC(=O)C[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000013468014 1129125696 /nfs/dbraw/zinc/12/56/96/1129125696.db2.gz FCYWJCLKAQZVLR-MSOLQXFVSA-N -1 0 325.408 3.903 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000263160669 1123523497 /nfs/dbraw/zinc/52/34/97/1123523497.db2.gz OQYWHDJTPMEMBM-BZSNNMDCSA-N -1 0 341.382 3.570 20 0 EHADRM C[C@@H](CNC(=O)c1ccc(C(=O)[O-])o1)c1c(Cl)cccc1Cl ZINC000237617173 1123528250 /nfs/dbraw/zinc/52/82/50/1123528250.db2.gz BCPUFHCOIBVIMD-QMMMGPOBSA-N -1 0 342.178 3.818 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)ccc1C(=O)[O-] ZINC000237814524 1123540678 /nfs/dbraw/zinc/54/06/78/1123540678.db2.gz MHMHABARLCAFML-HUUCEWRRSA-N -1 0 331.318 3.714 20 0 EHADRM O=S(=O)([N-]c1cccc(Cl)c1O)c1ccc(Cl)cc1F ZINC000078002280 1123592373 /nfs/dbraw/zinc/59/23/73/1123592373.db2.gz HJRRHDMJUDWSEO-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM CC(C)Cc1nc(=N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)s[n-]1 ZINC000543032855 1129132580 /nfs/dbraw/zinc/13/25/80/1129132580.db2.gz YFUXPQBMRVAEAM-HUUCEWRRSA-N -1 0 335.448 3.630 20 0 EHADRM Cc1cccc(NS(=O)(=O)c2ccc(C(C)C)cc2)c1C(=O)[O-] ZINC000078756603 1123649990 /nfs/dbraw/zinc/64/99/90/1123649990.db2.gz KEXPPVIRHPMEAV-UHFFFAOYSA-N -1 0 333.409 3.617 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)c1 ZINC000615251430 1123767191 /nfs/dbraw/zinc/76/71/91/1123767191.db2.gz DIPQGBBGSUNXHD-CQSZACIVSA-N -1 0 347.333 3.716 20 0 EHADRM CCOC(=O)c1csc(C(C#N)=C([O-])C=C(C)c2ccccc2)n1 ZINC000067897437 1123776219 /nfs/dbraw/zinc/77/62/19/1123776219.db2.gz GCIZIQGCJBVZHM-UQTJOTSZSA-N -1 0 340.404 3.600 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@@H](CC(C)C)c2cccs2)s1 ZINC000615481752 1123805181 /nfs/dbraw/zinc/80/51/81/1123805181.db2.gz OPLDBTSWRRKMPB-NSHDSACASA-N -1 0 338.502 3.883 20 0 EHADRM Cc1cccc2c(CCC(=O)N3CCCC[C@@H]3CCC(=O)[O-])c[nH]c21 ZINC000237760144 1123849338 /nfs/dbraw/zinc/84/93/38/1123849338.db2.gz YLBKCDUVTVNDNL-MRXNPFEDSA-N -1 0 342.439 3.655 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2ccc(F)c(F)c2[O-])cc1 ZINC000616194777 1123961621 /nfs/dbraw/zinc/96/16/21/1123961621.db2.gz ALNIISGPOHRFGQ-AAEUAGOBSA-N -1 0 333.334 3.811 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)CCCOc2cccc(F)c2)cc1 ZINC000238145878 1123994748 /nfs/dbraw/zinc/99/47/48/1123994748.db2.gz CAIBNFAHOXRKDE-DHZHZOJOSA-N -1 0 343.354 3.721 20 0 EHADRM Cn1c2ccccc2c(Cl)c1C(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-] ZINC000263503361 1124000121 /nfs/dbraw/zinc/00/01/21/1124000121.db2.gz ZNHJKTFNUORYDO-YPMHNXCESA-N -1 0 348.830 3.595 20 0 EHADRM CC1(C)CCC[C@H](C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)C1 ZINC000263547629 1124082709 /nfs/dbraw/zinc/08/27/09/1124082709.db2.gz UTYBIMSDXYSGFG-BBWFWOEESA-N -1 0 329.440 3.530 20 0 EHADRM O=C([O-])c1coc(C(=O)N2CCC[C@@H]2CCCc2ccccc2)c1 ZINC000263569170 1124515241 /nfs/dbraw/zinc/51/52/41/1124515241.db2.gz HISAEFRMXRHNNV-INIZCTEOSA-N -1 0 327.380 3.605 20 0 EHADRM O=C([O-])c1coc(C(=O)N(CCC(F)(F)F)Cc2ccccc2)c1 ZINC000263570852 1124532522 /nfs/dbraw/zinc/53/25/22/1124532522.db2.gz ISFKBPHGWMWKOR-UHFFFAOYSA-N -1 0 341.285 3.573 20 0 EHADRM O=C([O-])C1(CC(=O)N2CCC[C@H]2CCCc2ccccc2)CCC1 ZINC000263580892 1124694786 /nfs/dbraw/zinc/69/47/86/1124694786.db2.gz WLBPBROAOYMUNA-QGZVFWFLSA-N -1 0 329.440 3.645 20 0 EHADRM Cc1sc(C(=O)N(CC(=O)[O-])C(C)C)cc1-c1ccc(F)cc1 ZINC000181644934 1124999372 /nfs/dbraw/zinc/99/93/72/1124999372.db2.gz MWSDEEKBVZSNIK-UHFFFAOYSA-N -1 0 335.400 3.798 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cnc1Cl ZINC000735265933 1131327660 /nfs/dbraw/zinc/32/76/60/1131327660.db2.gz QDHJANYKFCBFKO-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM CC1(C)C[C@H](/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C(C)(C)O1 ZINC000182048267 1125137603 /nfs/dbraw/zinc/13/76/03/1125137603.db2.gz YVSVSESFWBKVSN-OPFCKLNOSA-N -1 0 326.780 3.719 20 0 EHADRM CCCC[C@H](CC)CC(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000735397937 1131339253 /nfs/dbraw/zinc/33/92/53/1131339253.db2.gz ZHMPRUJTHJSDLP-JTQLQIEISA-N -1 0 337.894 3.813 20 0 EHADRM O=C(NCc1ncc(-c2ccccc2)o1)c1cc(F)cc(Cl)c1[O-] ZINC000163061129 1125241330 /nfs/dbraw/zinc/24/13/30/1125241330.db2.gz GMXMEAHVULJKGJ-UHFFFAOYSA-N -1 0 346.745 3.770 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2CC(C)(C)[C@H]2c2ccccc2)s1 ZINC000619284987 1125330118 /nfs/dbraw/zinc/33/01/18/1125330118.db2.gz GERIIOIABVEPHP-CQSZACIVSA-N -1 0 330.457 3.528 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)c(C)o1 ZINC000182774368 1125367737 /nfs/dbraw/zinc/36/77/37/1125367737.db2.gz QDJRRHBHGCHNMR-UHFFFAOYSA-N -1 0 335.212 3.586 20 0 EHADRM O=C(Nc1ncn(C2CCCCC2)n1)c1cc([N+](=O)[O-])ccc1Cl ZINC000182886600 1125387934 /nfs/dbraw/zinc/38/79/34/1125387934.db2.gz FQWPXMBESIUMIN-UHFFFAOYSA-N -1 0 349.778 3.597 20 0 EHADRM O=C([O-])c1cnc(C=Cc2ccc(-c3ccc(Cl)cc3)o2)[nH]c1=O ZINC000670369779 1129206571 /nfs/dbraw/zinc/20/65/71/1129206571.db2.gz AXQBMGHOKYUJTJ-VURMDHGXSA-N -1 0 342.738 3.964 20 0 EHADRM CO[C@@H](C)c1nsc(NC(=O)c2ccc(C(F)(F)F)s2)n1 ZINC000673154214 1129217651 /nfs/dbraw/zinc/21/76/51/1129217651.db2.gz ATLQJXPLKVOGKY-YFKPBYRVSA-N -1 0 337.348 3.578 20 0 EHADRM COCc1n[n-]c(=N[C@H](C)[C@@H](C)c2ccccc2C(F)(F)F)s1 ZINC000499660413 1129273375 /nfs/dbraw/zinc/27/33/75/1129273375.db2.gz YIKCGYQTNCHWGP-NXEZZACHSA-N -1 0 345.390 3.729 20 0 EHADRM Cc1ccc(C[C@@H]2CCCN2C(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000478846843 1129283641 /nfs/dbraw/zinc/28/36/41/1129283641.db2.gz XCLQXYNDDBZERP-INIZCTEOSA-N -1 0 341.382 3.680 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H](c2ccccc2)C2CCC2)c(F)c1 ZINC000478847284 1129283856 /nfs/dbraw/zinc/28/38/56/1129283856.db2.gz ZSENVFXTAAJPQI-QGZVFWFLSA-N -1 0 327.355 3.795 20 0 EHADRM Clc1ccccc1C1CC(N=c2[n-]nc(C3CCOCC3)s2)C1 ZINC000338833590 1129391211 /nfs/dbraw/zinc/39/12/11/1129391211.db2.gz YFXAWMVVWFHXJO-UHFFFAOYSA-N -1 0 349.887 3.866 20 0 EHADRM Cc1cn(C2CCCCC2)[nH]c1=NC(=O)c1ccc([O-])c(Cl)c1 ZINC000543354433 1129431127 /nfs/dbraw/zinc/43/11/27/1129431127.db2.gz KQRDMDGGFBCKLL-UHFFFAOYSA-N -1 0 333.819 3.730 20 0 EHADRM CCc1cc([N-]S(=O)(=O)c2cccnc2C(F)(F)F)ccc1F ZINC000673483308 1129458384 /nfs/dbraw/zinc/45/83/84/1129458384.db2.gz TUIQFNAKVXHWOE-UHFFFAOYSA-N -1 0 348.321 3.603 20 0 EHADRM CC(C)c1scnc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000673497689 1129469959 /nfs/dbraw/zinc/46/99/59/1129469959.db2.gz URNSWUNTIRXQJM-UHFFFAOYSA-N -1 0 334.825 3.860 20 0 EHADRM CCOCCCc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[n-]1 ZINC000172997244 1129531834 /nfs/dbraw/zinc/53/18/34/1129531834.db2.gz HRUKYASIHMGCHN-UHFFFAOYSA-N -1 0 344.436 3.629 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C2(C(F)F)CCCC2)sc1Cl ZINC000673586789 1129590413 /nfs/dbraw/zinc/59/04/13/1129590413.db2.gz ARDCFKIDQPQIIK-UHFFFAOYSA-N -1 0 329.821 3.566 20 0 EHADRM O=C(OCc1ccc(Br)cc1)c1c(F)cc([O-])cc1F ZINC000735951446 1131393969 /nfs/dbraw/zinc/39/39/69/1131393969.db2.gz YFPQWKIIUHOFBF-UHFFFAOYSA-N -1 0 343.123 3.790 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cc(C)cc(C)c2OC)c(C)c1 ZINC000509104226 1129752514 /nfs/dbraw/zinc/75/25/14/1129752514.db2.gz UIKKSDKMZREVHD-UHFFFAOYSA-N -1 0 349.452 3.820 20 0 EHADRM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cc(-c2ccccc2)on1 ZINC000073906922 1129830983 /nfs/dbraw/zinc/83/09/83/1129830983.db2.gz RPYVUCODZFIMCU-UHFFFAOYSA-N -1 0 345.261 3.780 20 0 EHADRM COc1ccccc1[C@H](CC(C)C)NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000673790210 1129846113 /nfs/dbraw/zinc/84/61/13/1129846113.db2.gz CGXUEEJPDMPBSU-UXLLHSPISA-N -1 0 345.439 3.566 20 0 EHADRM O=C([O-])c1ccc(Nc2ccnn2Cc2ccccc2F)c(F)c1F ZINC001212510856 1129869055 /nfs/dbraw/zinc/86/90/55/1129869055.db2.gz GBTUYYRFHCITQL-UHFFFAOYSA-N -1 0 347.296 3.791 20 0 EHADRM CN(C(=O)c1cc(F)c(F)c([O-])c1F)[C@H]1CCCc2ccccc21 ZINC000543498203 1129895380 /nfs/dbraw/zinc/89/53/80/1129895380.db2.gz YVMKKLQWCMYUDE-AWEZNQCLSA-N -1 0 335.325 3.959 20 0 EHADRM O=C(NOCc1ccc(C(F)(F)F)cc1)c1cc(F)c([O-])c(F)c1 ZINC000186898366 1129900057 /nfs/dbraw/zinc/90/00/57/1129900057.db2.gz XAILPTYVYJTWJH-UHFFFAOYSA-N -1 0 347.239 3.551 20 0 EHADRM CCOc1cc(C(=O)N(C)OCc2ccccc2)cc(Cl)c1[O-] ZINC000186912166 1129908592 /nfs/dbraw/zinc/90/85/92/1129908592.db2.gz DROOIPZYLIDNQZ-UHFFFAOYSA-N -1 0 335.787 3.648 20 0 EHADRM O=C(CCCOc1ccccc1Cl)NCc1ccc(O)c(F)c1 ZINC000132816869 1129918938 /nfs/dbraw/zinc/91/89/38/1129918938.db2.gz CIYZKXUPQVQPGZ-UHFFFAOYSA-N -1 0 337.778 3.660 20 0 EHADRM Cc1cc(Nc2ccc(C(=O)[O-])c(F)c2F)ccc1N1CCOCC1 ZINC001212513343 1129924331 /nfs/dbraw/zinc/92/43/31/1129924331.db2.gz MBIHYTZKNQAPRS-UHFFFAOYSA-N -1 0 348.349 3.552 20 0 EHADRM CC(C)(NC(=O)NCc1ccc(O)c(F)c1)c1cccc(Cl)c1 ZINC000163658419 1129943537 /nfs/dbraw/zinc/94/35/37/1129943537.db2.gz SCNGUVWSPQRLQX-UHFFFAOYSA-N -1 0 336.794 3.919 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000466622953 1129983035 /nfs/dbraw/zinc/98/30/35/1129983035.db2.gz KNQFXLDVAUTQKM-AWEZNQCLSA-N -1 0 335.382 3.522 20 0 EHADRM CCOC(=O)c1cnc(NC(=O)/C=C/[C@]2(C)CC[C@H](C)C2(C)C)[n-]1 ZINC001128847646 1130207218 /nfs/dbraw/zinc/20/72/18/1130207218.db2.gz UCJCIDZOTCZLIN-JHFBHHSRSA-N -1 0 333.432 3.544 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@H]3CCC(F)(F)C3)n2)c1 ZINC000675708682 1130455675 /nfs/dbraw/zinc/45/56/75/1130455675.db2.gz FQQLHOLYYZPIJW-ZDUSSCGKSA-N -1 0 349.381 3.619 20 0 EHADRM C[C@H](C(=O)N(CCC(=O)[O-])CC1CC1)c1ccc(Cl)c(Cl)c1 ZINC000675972240 1130512339 /nfs/dbraw/zinc/51/23/39/1130512339.db2.gz SJSPSNHMFVLDOM-JTQLQIEISA-N -1 0 344.238 3.810 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc(C(F)(F)F)cc1)C1CCCCC1 ZINC000675992667 1130513908 /nfs/dbraw/zinc/51/39/08/1130513908.db2.gz MLPFBNWQISDWKK-UHFFFAOYSA-N -1 0 329.318 3.565 20 0 EHADRM Cc1ccccc1CC1CN(C(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000676172588 1130539741 /nfs/dbraw/zinc/53/97/41/1130539741.db2.gz VXUKBAQIHSRQGO-UHFFFAOYSA-N -1 0 333.790 3.808 20 0 EHADRM CCCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccccc1C ZINC000727949882 1130612583 /nfs/dbraw/zinc/61/25/83/1130612583.db2.gz AQZNMSKWUWPVND-CQSZACIVSA-N -1 0 325.474 3.797 20 0 EHADRM CCOc1ccc(S([O-])=CC(=O)N[C@@H](C)CCCC(C)C)cc1 ZINC000730940410 1130751882 /nfs/dbraw/zinc/75/18/82/1130751882.db2.gz BSPGXPMEEGCUEK-NPMXOYFQSA-N -1 0 339.501 3.524 20 0 EHADRM CCCn1ccc2cc(NC(=O)c3n[n-]c4ccccc4c3=O)ccc21 ZINC000731897706 1130858228 /nfs/dbraw/zinc/85/82/28/1130858228.db2.gz YIPWDIGNTQBEMG-UHFFFAOYSA-N -1 0 346.390 3.952 20 0 EHADRM CC(C)c1cccnc1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000751595696 1130873220 /nfs/dbraw/zinc/87/32/20/1130873220.db2.gz YKQZKSDTGOFZPK-UHFFFAOYSA-N -1 0 346.239 3.708 20 0 EHADRM CC1(C)CN(C(=O)c2n[n-]c3ccccc3c2=O)[C@H]1c1ccccc1 ZINC000732276744 1130905364 /nfs/dbraw/zinc/90/53/64/1130905364.db2.gz ZNZSBUMXHGZAIS-SFHVURJKSA-N -1 0 333.391 3.559 20 0 EHADRM O=C(c1n[n-]c2ccccc2c1=O)N1CC2(CCC2)c2c1cccc2F ZINC000732282080 1130909233 /nfs/dbraw/zinc/90/92/33/1130909233.db2.gz JUYFVGPAWRXXJC-UHFFFAOYSA-N -1 0 349.365 3.557 20 0 EHADRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)CCCCc1ccc(C)cc1 ZINC000732904984 1130972519 /nfs/dbraw/zinc/97/25/19/1130972519.db2.gz NYJYVFYLVRBUCK-MRXNPFEDSA-N -1 0 339.501 3.590 20 0 EHADRM Cc1cnn(-c2ccccc2)c1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000176970391 1131157616 /nfs/dbraw/zinc/15/76/16/1131157616.db2.gz PVMWIZQJDOYOLI-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM CC(C)[C@H]1CCCN(C(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)CC1 ZINC000734177430 1131207239 /nfs/dbraw/zinc/20/72/39/1131207239.db2.gz JIXTYIHOOQZETA-LBPRGKRZSA-N -1 0 345.468 3.522 20 0 EHADRM C[C@@H]1CN(c2ccc(NC(=O)c3ccc(Cl)cc3[O-])cc2)CCO1 ZINC000736497083 1131424413 /nfs/dbraw/zinc/42/44/13/1131424413.db2.gz XCBDBTKIXXTHLJ-GFCCVEGCSA-N -1 0 346.814 3.523 20 0 EHADRM Cc1nonc1C(=O)[N-]c1cccc(Cl)c1SCC(F)F ZINC000736516512 1131425629 /nfs/dbraw/zinc/42/56/29/1131425629.db2.gz UXHOIHWCXKHLGU-UHFFFAOYSA-N -1 0 333.747 3.641 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000738122759 1131463059 /nfs/dbraw/zinc/46/30/59/1131463059.db2.gz FOEIDBHVTSYEBP-PVFXFQJZSA-N -1 0 337.375 3.835 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)Cc2ccccc2OC(F)F)cc1 ZINC000738559290 1131472533 /nfs/dbraw/zinc/47/25/33/1131472533.db2.gz NHHQERMPBIIMKZ-YFHOEESVSA-N -1 0 347.317 3.567 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1 ZINC000737349616 1131494117 /nfs/dbraw/zinc/49/41/17/1131494117.db2.gz ZREZCPHYIXXAGP-ZBFHGGJFSA-N -1 0 337.485 3.800 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2ccnn2C2CCCC2)c1 ZINC000742029726 1131684809 /nfs/dbraw/zinc/68/48/09/1131684809.db2.gz HRIGWQWQUFTCJR-UHFFFAOYSA-N -1 0 333.457 3.922 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)C1CCCCCCC1 ZINC000744006388 1132007612 /nfs/dbraw/zinc/00/76/12/1132007612.db2.gz WNJGIXZVFZXXOI-UHFFFAOYSA-N -1 0 329.849 3.505 20 0 EHADRM CC(C)[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1)c1ccccc1 ZINC000744165163 1132030585 /nfs/dbraw/zinc/03/05/85/1132030585.db2.gz KYOQIUNRYVIHRT-QAPCUYQASA-N -1 0 345.464 3.633 20 0 EHADRM S=c1[n-]c2ccc(-c3noc(-c4nccnc4Cl)n3)cc2s1 ZINC001212726733 1132064773 /nfs/dbraw/zinc/06/47/73/1132064773.db2.gz OWYKJUOKNXQUKD-UHFFFAOYSA-N -1 0 347.812 3.745 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)NC(=O)c1c([O-])cc(F)cc1F ZINC000744321863 1132065649 /nfs/dbraw/zinc/06/56/49/1132065649.db2.gz MMWCCSYCVLBANX-VIFPVBQESA-N -1 0 325.742 3.685 20 0 EHADRM S=c1[n-]c2ccc(-c3noc(-c4cnc(Cl)cn4)n3)cc2s1 ZINC001212742001 1132102968 /nfs/dbraw/zinc/10/29/68/1132102968.db2.gz DVWHGMTWEBZQPM-UHFFFAOYSA-N -1 0 347.812 3.745 20 0 EHADRM COc1ccc(F)cc1Nc1cccc2cc(S(=O)(=O)[O-])ccc21 ZINC001173957154 1132183034 /nfs/dbraw/zinc/18/30/34/1132183034.db2.gz XNZQABKLNWGSHJ-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM Cc1cc(S(=O)(=O)[O-])c(Nc2cc(F)ccc2F)cc1Cl ZINC001173951143 1132193091 /nfs/dbraw/zinc/19/30/91/1132193091.db2.gz ZCPULCSUFGKPLV-UHFFFAOYSA-N -1 0 333.743 3.917 20 0 EHADRM CC(=O)Nc1ccc(Nc2c(Cl)c(F)[n-]c(=O)c2Cl)cc1 ZINC001173974940 1132204939 /nfs/dbraw/zinc/20/49/39/1132204939.db2.gz IQSAFOYQLBMMAQ-UHFFFAOYSA-N -1 0 330.146 3.935 20 0 EHADRM COCc1cccc(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)c1 ZINC001174094308 1132226115 /nfs/dbraw/zinc/22/61/15/1132226115.db2.gz DTOAFELCAIKDSR-UHFFFAOYSA-N -1 0 343.404 3.977 20 0 EHADRM COCc1ccccc1Nc1ccc(S(=O)(=O)[O-])c2ccccc12 ZINC001174105453 1132229377 /nfs/dbraw/zinc/22/93/77/1132229377.db2.gz SSHDHQYQVGYTHY-UHFFFAOYSA-N -1 0 343.404 3.977 20 0 EHADRM Cc1cc(S(=O)(=O)[O-])c(Nc2cccc3n[nH]cc32)cc1Cl ZINC001174345480 1132325137 /nfs/dbraw/zinc/32/51/37/1132325137.db2.gz CMONBKZZCANHJX-UHFFFAOYSA-N -1 0 337.788 3.515 20 0 EHADRM CCS(=O)(=O)c1ccc(O)c(Nc2ccc3ncsc3c2)c1 ZINC001174364452 1132336470 /nfs/dbraw/zinc/33/64/70/1132336470.db2.gz FYOZZQGQWUPERP-UHFFFAOYSA-N -1 0 334.422 3.539 20 0 EHADRM COc1cnc(Br)c(Nc2cccc(/C=C/C(=O)[O-])c2)c1 ZINC001174495830 1132372388 /nfs/dbraw/zinc/37/23/88/1132372388.db2.gz YQPXPKNYZNBMGY-AATRIKPKSA-N -1 0 349.184 3.694 20 0 EHADRM O=C(Nc1cc2c(cc1Cl)OCO2)c1ccc2[n-]c(=S)oc2c1 ZINC000746106609 1132373168 /nfs/dbraw/zinc/37/31/68/1132373168.db2.gz CYEFQPXHUZNNBT-UHFFFAOYSA-N -1 0 348.767 3.751 20 0 EHADRM O=C([O-])C=Cc1cccc(Nc2ccc(F)c3c2OCCC3=O)c1 ZINC001174499088 1132373361 /nfs/dbraw/zinc/37/33/61/1132373361.db2.gz LYNISJTWNGNNOO-QPJJXVBHSA-N -1 0 327.311 3.632 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N(CCc1ccccc1)C1CC1 ZINC000746176715 1132387387 /nfs/dbraw/zinc/38/73/87/1132387387.db2.gz RKTACXRWYMAOFO-UHFFFAOYSA-N -1 0 338.432 3.964 20 0 EHADRM Nc1cc(Br)cc(Nc2cccc(/C=C/C(=O)[O-])c2)c1 ZINC001174500976 1132390248 /nfs/dbraw/zinc/39/02/48/1132390248.db2.gz VTFPMCRIHVBNIM-SNAWJCMRSA-N -1 0 333.185 3.873 20 0 EHADRM Cc1cc(O)ccc1Nc1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1 ZINC001174564162 1132416477 /nfs/dbraw/zinc/41/64/77/1132416477.db2.gz KHTHXPUBVLRKSJ-UHFFFAOYSA-N -1 0 345.376 3.550 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cc(C)nn1-c1cccc(C)c1 ZINC001174673627 1132432939 /nfs/dbraw/zinc/43/29/39/1132432939.db2.gz JVYMJMNPAQTKEW-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cc(C)nn1-c1cccc(F)c1 ZINC001174674530 1132433110 /nfs/dbraw/zinc/43/31/10/1132433110.db2.gz ANIWOMOULJNPIM-UHFFFAOYSA-N -1 0 341.342 3.770 20 0 EHADRM COc1cc(Nc2nc3ccccc3nc2Cl)ccc1C(=O)[O-] ZINC001174681237 1132434693 /nfs/dbraw/zinc/43/46/93/1132434693.db2.gz ORSQHJJCDVFYBJ-UHFFFAOYSA-N -1 0 329.743 3.734 20 0 EHADRM COc1cc(Nc2c(C)cnn2-c2ccccc2F)ccc1C(=O)[O-] ZINC001174682600 1132435189 /nfs/dbraw/zinc/43/51/89/1132435189.db2.gz DEUWEXIDZRCSCV-UHFFFAOYSA-N -1 0 341.342 3.770 20 0 EHADRM COc1cc(Nc2ccc(N)cc2C(F)(F)F)ccc1C(=O)[O-] ZINC001174685349 1132435725 /nfs/dbraw/zinc/43/57/25/1132435725.db2.gz RZHULKNZTSZDKY-UHFFFAOYSA-N -1 0 326.274 3.738 20 0 EHADRM CCOC(=O)c1cc(Nc2ccc(C(=O)[O-])c(OC)c2)ccc1Cl ZINC001174686462 1132436547 /nfs/dbraw/zinc/43/65/47/1132436547.db2.gz DRPXONDJWJWUIW-UHFFFAOYSA-N -1 0 349.770 3.967 20 0 EHADRM COc1cc(Nc2ccccc2C(=O)C(F)(F)F)ccc1C(=O)[O-] ZINC001174687721 1132436658 /nfs/dbraw/zinc/43/66/58/1132436658.db2.gz FROKAUUONSUSSG-UHFFFAOYSA-N -1 0 339.269 3.882 20 0 EHADRM COC(=O)c1cc(C)c(Nc2ccc(C(=O)[O-])c(OC)c2)cc1C ZINC001174686795 1132437000 /nfs/dbraw/zinc/43/70/00/1132437000.db2.gz UXGVROZSPAUFRW-UHFFFAOYSA-N -1 0 329.352 3.540 20 0 EHADRM COc1c(F)ccc(F)c1Nc1cc(S(=O)(=O)[O-])ccc1Cl ZINC001174664261 1132443203 /nfs/dbraw/zinc/44/32/03/1132443203.db2.gz FMFTUTYDXBXDCF-UHFFFAOYSA-N -1 0 349.742 3.617 20 0 EHADRM COC(=O)c1c(Cl)cc(Cl)nc1Nc1ccc(C(=O)[O-])s1 ZINC001174805123 1132477778 /nfs/dbraw/zinc/47/77/78/1132477778.db2.gz KJGQZDVWOKHCLC-UHFFFAOYSA-N -1 0 347.179 3.678 20 0 EHADRM COc1ccc(-c2ccccn2)nc1Nc1ccc(C(=O)[O-])s1 ZINC001174805837 1132477868 /nfs/dbraw/zinc/47/78/68/1132477868.db2.gz JBTXBJIIXYZMBK-UHFFFAOYSA-N -1 0 327.365 3.656 20 0 EHADRM COc1cc(Br)ccc1Nc1ccc(C(=O)[O-])s1 ZINC001174810824 1132479976 /nfs/dbraw/zinc/47/99/76/1132479976.db2.gz UWVBHIDVVSAQFA-UHFFFAOYSA-N -1 0 328.187 3.961 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2ccc3c(c2)OCO3)c2ccccc21 ZINC001174865882 1132490771 /nfs/dbraw/zinc/49/07/71/1132490771.db2.gz DZHYVNWFLAIIDS-UHFFFAOYSA-N -1 0 343.360 3.559 20 0 EHADRM O=C([O-])Cc1ccc(Nc2ccccc2OC2CCOCC2)cc1 ZINC001174954436 1132517219 /nfs/dbraw/zinc/51/72/19/1132517219.db2.gz KWDXETPRDWASBP-UHFFFAOYSA-N -1 0 327.380 3.615 20 0 EHADRM O=C([O-])Cc1ccc(Nc2cccc(-c3nc(CO)cs3)c2)cc1 ZINC001174954926 1132517740 /nfs/dbraw/zinc/51/77/40/1132517740.db2.gz QMVXXTGJWBVPKF-UHFFFAOYSA-N -1 0 340.404 3.673 20 0 EHADRM CCOC(=O)CCc1ccc(Nc2ccc(CC(=O)[O-])cc2)cc1F ZINC001174955469 1132517870 /nfs/dbraw/zinc/51/78/70/1132517870.db2.gz ZFKGYBVWVPOZIF-UHFFFAOYSA-N -1 0 345.370 3.692 20 0 EHADRM Cc1nc(-c2c[nH]c(C(=O)Nc3cccc(C(=O)[O-])c3C)c2)cs1 ZINC000392159201 1132520034 /nfs/dbraw/zinc/52/00/34/1132520034.db2.gz QXJAZGSLCKDGBE-UHFFFAOYSA-N -1 0 341.392 3.706 20 0 EHADRM Cc1ccccc1OCCCC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000392728467 1132520761 /nfs/dbraw/zinc/52/07/61/1132520761.db2.gz RIFQLHCHEGWNRW-MRXNPFEDSA-N -1 0 347.455 3.503 20 0 EHADRM CCN(CC)C(=O)c1ccccc1Nc1cc(C(=O)[O-])ccc1C ZINC001174986336 1132536555 /nfs/dbraw/zinc/53/65/55/1132536555.db2.gz OSWAKGPNUFYPJG-UHFFFAOYSA-N -1 0 326.396 3.919 20 0 EHADRM O=C([N-]S(=O)(=O)CC1CCCCC1)c1cc2sccc2s1 ZINC000746453489 1132538197 /nfs/dbraw/zinc/53/81/97/1132538197.db2.gz OJKZCZGTPKSCEV-UHFFFAOYSA-N -1 0 343.495 3.603 20 0 EHADRM Cc1nc(CN2CCC([C@@H](CC(=O)[O-])c3ccccc3)CC2)cs1 ZINC000738349232 1132561918 /nfs/dbraw/zinc/56/19/18/1132561918.db2.gz MPOIBIYXXRORRT-SFHVURJKSA-N -1 0 344.480 3.922 20 0 EHADRM Cc1c(Br)nccc1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175158708 1132570951 /nfs/dbraw/zinc/57/09/51/1132570951.db2.gz PNYSHRZNCDSSGB-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(C(=O)c3ccncc3)cc2)cc1F ZINC001175160803 1132571809 /nfs/dbraw/zinc/57/18/09/1132571809.db2.gz UCCLKWCNCVYJSR-UHFFFAOYSA-N -1 0 336.322 3.894 20 0 EHADRM C[C@H](Sc1nc2ccccc2s1)C(=O)[N-]Oc1ccccc1 ZINC000773464653 1132576230 /nfs/dbraw/zinc/57/62/30/1132576230.db2.gz DEWNFSVSWKEBFI-NSHDSACASA-N -1 0 330.434 3.887 20 0 EHADRM O=C([O-])c1ccc(Nc2cccc(F)c2OC[C@H]2CCCO2)cc1F ZINC001175162440 1132586959 /nfs/dbraw/zinc/58/69/59/1132586959.db2.gz ZXCIUQTYGKIZOL-GFCCVEGCSA-N -1 0 349.333 3.964 20 0 EHADRM C[C@@H]1CCc2c(sc(Nc3ccc(F)c(C(=O)[O-])c3)c2C(N)=O)C1 ZINC001175216157 1132597827 /nfs/dbraw/zinc/59/78/27/1132597827.db2.gz ZNSUFOCSTYMYQM-MRVPVSSYSA-N -1 0 348.399 3.553 20 0 EHADRM CCOc1cccc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])c1F ZINC001175239639 1132604746 /nfs/dbraw/zinc/60/47/46/1132604746.db2.gz ZISZQNPQGZWAMS-UHFFFAOYSA-N -1 0 345.779 3.868 20 0 EHADRM CCOc1cc(F)ccc1Nc1ccc(Cl)cc1S(=O)(=O)[O-] ZINC001175290065 1132614698 /nfs/dbraw/zinc/61/46/98/1132614698.db2.gz MGONCMBDRHSFDR-UHFFFAOYSA-N -1 0 345.779 3.868 20 0 EHADRM Cc1cc(Nc2ccc(C(=O)[O-])c(Cl)c2)n(Cc2ccccn2)n1 ZINC001175314184 1132634609 /nfs/dbraw/zinc/63/46/09/1132634609.db2.gz FPSCZTXPKRBOSV-UHFFFAOYSA-N -1 0 342.786 3.730 20 0 EHADRM O=C([O-])c1ccc(Nc2cnc(OCC3CCC3)nc2)cc1Cl ZINC001175315343 1132636044 /nfs/dbraw/zinc/63/60/44/1132636044.db2.gz GMJMPKNXPBVVKB-UHFFFAOYSA-N -1 0 333.775 3.751 20 0 EHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1cccc2c1CCCC2 ZINC000766570229 1132637290 /nfs/dbraw/zinc/63/72/90/1132637290.db2.gz KNDSFNGQBXVLKK-UHFFFAOYSA-N -1 0 331.437 3.683 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(CN3CCOCC3)cc2)cc1Cl ZINC001175317346 1132637330 /nfs/dbraw/zinc/63/73/30/1132637330.db2.gz WEWGIHITLGTFQP-UHFFFAOYSA-N -1 0 346.814 3.614 20 0 EHADRM Cc1ccc(Nc2c(O)cc(S(=O)(=O)[O-])c3ccccc32)c(F)c1 ZINC001175326292 1132638846 /nfs/dbraw/zinc/63/88/46/1132638846.db2.gz JVNBYNMQRQDBET-UHFFFAOYSA-N -1 0 347.367 3.983 20 0 EHADRM O=S(=O)([O-])c1cc(Cl)ccc1Nc1ccc2ncccc2c1 ZINC001175376200 1132654523 /nfs/dbraw/zinc/65/45/23/1132654523.db2.gz QSVFFYWGLIQAOO-UHFFFAOYSA-N -1 0 334.784 3.879 20 0 EHADRM C[C@@H](CC1CCC1)NC(=O)c1cc(Br)cc(F)c1[O-] ZINC001169249793 1132708572 /nfs/dbraw/zinc/70/85/72/1132708572.db2.gz DPLDXCQMZJAUDA-QMMMGPOBSA-N -1 0 330.197 3.602 20 0 EHADRM Cc1ccnc(CCNc2cc3c(CC(=O)[O-])c[nH]c3cc2Cl)c1 ZINC001169324439 1132722077 /nfs/dbraw/zinc/72/20/77/1132722077.db2.gz PDZHENHAIQKFLT-UHFFFAOYSA-N -1 0 343.814 3.806 20 0 EHADRM COc1cc(Nc2ccc(OC3CCOCC3)nc2)ccc1[S-] ZINC001175730816 1132746871 /nfs/dbraw/zinc/74/68/71/1132746871.db2.gz FNGMMWWBRPXFFN-UHFFFAOYSA-N -1 0 332.425 3.680 20 0 EHADRM O=C([O-])c1cncc(Nc2cnc3cc(Br)ccc3c2)c1 ZINC001175840305 1132772493 /nfs/dbraw/zinc/77/24/93/1132772493.db2.gz KIYINLNCAMIIKK-UHFFFAOYSA-N -1 0 344.168 3.834 20 0 EHADRM Cc1nc(Cl)c(Nc2cncc(C(=O)[O-])c2)cc1Br ZINC001175841063 1132772557 /nfs/dbraw/zinc/77/25/57/1132772557.db2.gz MPQAALTVRMJMOE-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM COc1cc(Br)c(Nc2cncc(C(=O)[O-])c2)cc1C ZINC001175842333 1132773238 /nfs/dbraw/zinc/77/32/38/1132773238.db2.gz BDUURGRQRAPDGL-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM COC(=O)c1ccc(Cl)c(Nc2cncc(C(=O)[O-])c2)c1Cl ZINC001175843306 1132773358 /nfs/dbraw/zinc/77/33/58/1132773358.db2.gz PAAWQKLHWBEEAF-UHFFFAOYSA-N -1 0 341.150 3.617 20 0 EHADRM CC(C)Oc1c(F)cc(Br)cc1NCc1cc(=O)[n-]o1 ZINC001169490863 1132776262 /nfs/dbraw/zinc/77/62/62/1132776262.db2.gz LGQRXNYONQTELR-UHFFFAOYSA-N -1 0 345.168 3.681 20 0 EHADRM Cc1cc(Nc2cc(Cl)c(C)cc2S(=O)(=O)[O-])cc(C)c1N ZINC001175937936 1132790435 /nfs/dbraw/zinc/79/04/35/1132790435.db2.gz UPMJUDHJLKUBLJ-UHFFFAOYSA-N -1 0 340.832 3.838 20 0 EHADRM O=C([O-])c1cc(Nc2ccc(OC[C@H]3CCCO3)c(F)c2)cs1 ZINC001176439069 1132928799 /nfs/dbraw/zinc/92/87/99/1132928799.db2.gz ITZLGSXOUUSJKT-GFCCVEGCSA-N -1 0 337.372 3.887 20 0 EHADRM O=C([O-])c1cc(Nc2ccc3ncc(Br)n3c2)cs1 ZINC001176436502 1132929224 /nfs/dbraw/zinc/92/92/24/1132929224.db2.gz VOGHECQIHVYCFT-UHFFFAOYSA-N -1 0 338.186 3.600 20 0 EHADRM Nc1ccc(F)c(Br)c1Nc1csc(C(=O)[O-])c1 ZINC001176440388 1132929577 /nfs/dbraw/zinc/92/95/77/1132929577.db2.gz MJQCNAYBSJUXPK-UHFFFAOYSA-N -1 0 331.166 3.674 20 0 EHADRM CCOC(=O)c1c(F)cc(F)cc1Nc1csc(C(=O)[O-])c1 ZINC001176443405 1132930811 /nfs/dbraw/zinc/93/08/11/1132930811.db2.gz MJESZEOHMPXFNR-UHFFFAOYSA-N -1 0 327.308 3.645 20 0 EHADRM CC[C@@H](NC(=O)/C=C\c1cc(C)n(C2CCCCC2)c1C)C(=O)[O-] ZINC000767102760 1132944061 /nfs/dbraw/zinc/94/40/61/1132944061.db2.gz RCGYMTXJADDLRM-QXPKXGMISA-N -1 0 332.444 3.603 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3ncccc3Br)cc2)CC1 ZINC001176582363 1132960136 /nfs/dbraw/zinc/96/01/36/1132960136.db2.gz NZCDEGSCQDSAKO-UHFFFAOYSA-N -1 0 333.185 3.704 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3ccc(Br)cn3)cc2)CC1 ZINC001176583290 1132961088 /nfs/dbraw/zinc/96/10/88/1132961088.db2.gz WOSCPJUKBJNOPS-UHFFFAOYSA-N -1 0 333.185 3.704 20 0 EHADRM COCCOc1ccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cc1 ZINC001176586460 1132961130 /nfs/dbraw/zinc/96/11/30/1132961130.db2.gz HDDLEHUBFJRQCB-UHFFFAOYSA-N -1 0 327.380 3.572 20 0 EHADRM Cc1c(Br)cncc1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176588884 1132961470 /nfs/dbraw/zinc/96/14/70/1132961470.db2.gz JKMLCJVGBHLBNL-QPJJXVBHSA-N -1 0 333.185 3.994 20 0 EHADRM COc1cc(Nc2ccc(/C=C/C(=O)[O-])cc2)ncc1C(F)(F)F ZINC001176593291 1132963330 /nfs/dbraw/zinc/96/33/30/1132963330.db2.gz ZBNBBSHDPZKQKO-QPJJXVBHSA-N -1 0 338.285 3.950 20 0 EHADRM CN(C)C(=O)Oc1cccc(Nc2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC001176597081 1132969128 /nfs/dbraw/zinc/96/91/28/1132969128.db2.gz LXBGQOQCDSEAGH-DHZHZOJOSA-N -1 0 326.352 3.588 20 0 EHADRM CC(C)Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1N ZINC001176644820 1132976289 /nfs/dbraw/zinc/97/62/89/1132976289.db2.gz JQSAGCNQOKYKDY-UHFFFAOYSA-N -1 0 340.832 3.510 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(N3CCSCC3)c(F)c2)cc1 ZINC001176714298 1132995893 /nfs/dbraw/zinc/99/58/93/1132995893.db2.gz AXZDBOZASWFLFO-UHFFFAOYSA-N -1 0 332.400 3.821 20 0 EHADRM COC(=O)c1cc(-c2csc(C(=O)[O-])c2)ccc1OC(F)F ZINC001206284170 1132999413 /nfs/dbraw/zinc/99/94/13/1132999413.db2.gz WKTLTOXEIXABBU-UHFFFAOYSA-N -1 0 328.292 3.501 20 0 EHADRM C[C@H]1CC[C@H](OC(=O)c2cc3ccccc3cc2[N-]S(C)(=O)=O)C1 ZINC000767517421 1133011895 /nfs/dbraw/zinc/01/18/95/1133011895.db2.gz CKFOUBQQTDATSP-WFASDCNBSA-N -1 0 347.436 3.557 20 0 EHADRM CC[C@H](C)[C@@H]([N-]S(=O)(=O)/C=C/c1ccc(C)cc1)C(F)(F)F ZINC000767603468 1133024348 /nfs/dbraw/zinc/02/43/48/1133024348.db2.gz HONPLUCBXRIWMV-JMRXXTBOSA-N -1 0 335.391 3.862 20 0 EHADRM CC[C@H](C)[C@H]([N-]S(=O)(=O)/C=C/c1ccc(C)cc1)C(F)(F)F ZINC000767603473 1133024592 /nfs/dbraw/zinc/02/45/92/1133024592.db2.gz HONPLUCBXRIWMV-OKWZRIHXSA-N -1 0 335.391 3.862 20 0 EHADRM Cc1ccc(CNC(=O)c2c(O)cccc2F)cc1Br ZINC001177102226 1133031664 /nfs/dbraw/zinc/03/16/64/1133031664.db2.gz ZIKVXSGDVSKPGR-UHFFFAOYSA-N -1 0 338.176 3.532 20 0 EHADRM O=C([N-][C@@H](Cc1ccc(Cl)cc1)c1ccccn1)C(F)(F)F ZINC000767990041 1133079679 /nfs/dbraw/zinc/07/96/79/1133079679.db2.gz KIYVUTXERMKYJX-ZDUSSCGKSA-N -1 0 328.721 3.697 20 0 EHADRM O=C(Nc1cc(Br)c2ccccc2c1)c1ncccc1[O-] ZINC001178152109 1133137339 /nfs/dbraw/zinc/13/73/39/1133137339.db2.gz CCNIJDPEDHYMAV-UHFFFAOYSA-N -1 0 343.180 3.955 20 0 EHADRM O=C([N-]OCc1ccc(C(F)(F)F)cc1)[C@@H](F)c1ccccc1 ZINC000769002342 1133219817 /nfs/dbraw/zinc/21/98/17/1133219817.db2.gz CLJRYOFDZCOLKC-AWEZNQCLSA-N -1 0 327.277 3.964 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1ccnn1C1CCCC1 ZINC000769248818 1133250797 /nfs/dbraw/zinc/25/07/97/1133250797.db2.gz MCBOMZIEOLELTG-UHFFFAOYSA-N -1 0 328.397 3.680 20 0 EHADRM CC(C)(C)c1ccc(/C=C\C(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000769530154 1133309264 /nfs/dbraw/zinc/30/92/64/1133309264.db2.gz GYMHZWRHAGBQMM-JXMNSVBMSA-N -1 0 329.440 3.711 20 0 EHADRM COCCCOc1ccccc1NC(=O)c1c([O-])cccc1Cl ZINC000769722653 1133335294 /nfs/dbraw/zinc/33/52/94/1133335294.db2.gz QTIGYJXVLNMCPP-UHFFFAOYSA-N -1 0 335.787 3.713 20 0 EHADRM C[C@@H](Cc1cccnc1)NC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC001180439077 1133370488 /nfs/dbraw/zinc/37/04/88/1133370488.db2.gz FRIBTVAKOUGBRC-LBPRGKRZSA-N -1 0 340.810 3.955 20 0 EHADRM O=C([O-])C1(C(=O)NCCc2c[nH]c3cccc(Cl)c23)CCCCC1 ZINC001180440699 1133370718 /nfs/dbraw/zinc/37/07/18/1133370718.db2.gz RELUNLONIUPTBE-UHFFFAOYSA-N -1 0 348.830 3.515 20 0 EHADRM O=C(NCCCc1cccs1)c1cccc(C(F)(F)F)c1[O-] ZINC001150974709 1133418986 /nfs/dbraw/zinc/41/89/86/1133418986.db2.gz AEKLCRLAVJXTMP-UHFFFAOYSA-N -1 0 329.343 3.835 20 0 EHADRM CC(C)(C)OC(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000770452413 1133432143 /nfs/dbraw/zinc/43/21/43/1133432143.db2.gz OCMIFNWWIZGORA-UHFFFAOYSA-N -1 0 349.214 3.552 20 0 EHADRM CCn1nc(C)c(C(=O)Nc2cc(F)cc(Cl)c2[O-])c1Cl ZINC000771514263 1133567841 /nfs/dbraw/zinc/56/78/41/1133567841.db2.gz SSFXRTWAWCCMTB-UHFFFAOYSA-N -1 0 332.162 3.615 20 0 EHADRM [O-]c1c(Cl)cccc1-c1nc(COCC(F)(F)C(F)F)no1 ZINC000771666077 1133581325 /nfs/dbraw/zinc/58/13/25/1133581325.db2.gz WWSNUIQCKUOJQJ-UHFFFAOYSA-N -1 0 340.660 3.513 20 0 EHADRM C[C@@H](CC(C)(C)C)C(=O)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000774237227 1133639588 /nfs/dbraw/zinc/63/95/88/1133639588.db2.gz UOJHIQQNPUZZGP-NSHDSACASA-N -1 0 345.530 3.923 20 0 EHADRM CC(C)Cc1ccc(S(=O)(=O)[N-]C(=O)C2=CCCCCC2)cc1 ZINC000774413274 1133674221 /nfs/dbraw/zinc/67/42/21/1133674221.db2.gz YRPFAFVPYHKHDL-UHFFFAOYSA-N -1 0 335.469 3.581 20 0 EHADRM CC(C)CO[N-]C(=O)CN(Cc1ccco1)c1cccc(Cl)c1 ZINC001183057342 1133764493 /nfs/dbraw/zinc/76/44/93/1133764493.db2.gz HVDIHUNBMOKPLP-UHFFFAOYSA-N -1 0 336.819 3.643 20 0 EHADRM CO[C@@H]1CCC[C@@H]1C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC001183112829 1133770363 /nfs/dbraw/zinc/77/03/63/1133770363.db2.gz SFHFBKXYKXQSMT-GZMMTYOYSA-N -1 0 348.624 3.562 20 0 EHADRM COC(=O)c1ccc(-c2cc(Cl)c([O-])c(Cl)c2)nc1OC ZINC001242848621 1133826414 /nfs/dbraw/zinc/82/64/14/1133826414.db2.gz COYNPRHOTZKUMZ-UHFFFAOYSA-N -1 0 328.151 3.556 20 0 EHADRM COC(=O)c1nc(-c2cc(Cl)c([O-])c(Cl)c2)ccc1OC ZINC001242853858 1133849935 /nfs/dbraw/zinc/84/99/35/1133849935.db2.gz HIFGYFNMGBSMMQ-UHFFFAOYSA-N -1 0 328.151 3.556 20 0 EHADRM O=C(NCc1ccc(-c2ccccc2)s1)c1c(O)cccc1O ZINC001184050884 1133891115 /nfs/dbraw/zinc/89/11/15/1133891115.db2.gz MFMWVCRPNVZLGI-UHFFFAOYSA-N -1 0 325.389 3.756 20 0 EHADRM CC1CC(CNC(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC001184051387 1133891673 /nfs/dbraw/zinc/89/16/73/1133891673.db2.gz VVSFDTFIDVVTKB-UHFFFAOYSA-N -1 0 332.625 3.584 20 0 EHADRM CC(C)N(C(=O)CCC(=O)C=C([O-])c1ccc(Cl)cc1)C(C)C ZINC001184114396 1133894996 /nfs/dbraw/zinc/89/49/96/1133894996.db2.gz CHZPSZPSZYMQSZ-UHFFFAOYSA-N -1 0 337.847 3.908 20 0 EHADRM O=C(N[C@@H]1c2ccccc2CC[C@@H]1F)c1cc(F)cc(Cl)c1[O-] ZINC001184179088 1133901750 /nfs/dbraw/zinc/90/17/50/1133901750.db2.gz RYXIRLNHJVAZBS-LSDHHAIUSA-N -1 0 337.753 3.940 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2ccccc2CC(C)C)cc1C(=O)[O-] ZINC001184698891 1133976863 /nfs/dbraw/zinc/97/68/63/1133976863.db2.gz JXURSYUUVPLMBA-UHFFFAOYSA-N -1 0 347.436 3.693 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccncc2)cc1)c1cccnc1Cl ZINC001184875269 1134001278 /nfs/dbraw/zinc/00/12/78/1134001278.db2.gz LDJHPWKWJQBJMU-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM O=S(=O)(Cc1cc(F)cc(F)c1)[N-]c1c(O)ccc2ccccc21 ZINC001185133999 1134039882 /nfs/dbraw/zinc/03/98/82/1134039882.db2.gz GCKXCVMPJPGSMB-UHFFFAOYSA-N -1 0 349.358 3.766 20 0 EHADRM O=S(=O)([N-]c1nc2c(s1)CCC2)c1cc2ccccc2s1 ZINC001185425656 1134082805 /nfs/dbraw/zinc/08/28/05/1134082805.db2.gz AXVWEUSVGFDEEW-UHFFFAOYSA-N -1 0 336.463 3.647 20 0 EHADRM CC(=O)c1ccsc1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185429997 1134084668 /nfs/dbraw/zinc/08/46/68/1134084668.db2.gz XKICKBGXLPWOPJ-UHFFFAOYSA-N -1 0 337.447 3.966 20 0 EHADRM O=S(=O)([N-]c1cnc2occc2c1)c1cc2ccccc2s1 ZINC001185432503 1134085367 /nfs/dbraw/zinc/08/53/67/1134085367.db2.gz DYFAQJFXVDICKL-UHFFFAOYSA-N -1 0 330.390 3.843 20 0 EHADRM C[C@@H](NC(=O)C=C([O-])c1ccccc1Cl)c1nc2ccccc2[nH]1 ZINC001185432768 1134085722 /nfs/dbraw/zinc/08/57/22/1134085722.db2.gz BSMDLJGFWPRKAF-LLVKDONJSA-N -1 0 341.798 3.667 20 0 EHADRM O=C(C=C([O-])c1ccccc1Cl)N[C@@H](c1ccnc(F)c1)C1CC1 ZINC001185443902 1134086723 /nfs/dbraw/zinc/08/67/23/1134086723.db2.gz GKPIKODTLPFVOY-GOSISDBHSA-N -1 0 346.789 3.714 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)Nc1ccc(C(C)=O)cc1)C(=O)[O-] ZINC000788317544 1134113003 /nfs/dbraw/zinc/11/30/03/1134113003.db2.gz GTOHGSFJPUHVJD-GOSISDBHSA-N -1 0 334.416 3.824 20 0 EHADRM CC(C)(C)c1cnn2cc(NC(=O)c3cccc([S-])c3)cnc12 ZINC001186130145 1134172159 /nfs/dbraw/zinc/17/21/59/1134172159.db2.gz DVFLNOOILWPSFE-UHFFFAOYSA-N -1 0 326.425 3.568 20 0 EHADRM O=S(=O)([N-]c1cscn1)c1ccc(OCc2ccccc2)cc1 ZINC001186635556 1134241159 /nfs/dbraw/zinc/24/11/59/1134241159.db2.gz NYYJCLGLJFVMEI-UHFFFAOYSA-N -1 0 346.433 3.523 20 0 EHADRM O=C(Nc1cc(-c2ccccc2)cnn1)c1cc(F)c(F)c([O-])c1F ZINC001186770442 1134255662 /nfs/dbraw/zinc/25/56/62/1134255662.db2.gz HJNJLNYCLFWTGM-UHFFFAOYSA-N -1 0 345.280 3.519 20 0 EHADRM COc1ccc2ccc(NC(=O)c3cc(F)c(F)c([O-])c3F)cc2n1 ZINC001186787774 1134258203 /nfs/dbraw/zinc/25/82/03/1134258203.db2.gz HSHXMRXPDDAOQE-UHFFFAOYSA-N -1 0 348.280 3.619 20 0 EHADRM COC(=O)c1cc(Cl)cc(NC(=O)NCC2CCCCC2)c1O ZINC001186881039 1134266300 /nfs/dbraw/zinc/26/63/00/1134266300.db2.gz SDTXYDCTEZFOBV-UHFFFAOYSA-N -1 0 340.807 3.534 20 0 EHADRM O=S(=O)([N-]c1cnc(C2CC2)s1)c1cc2c(s1)CCCC2 ZINC001187184327 1134306119 /nfs/dbraw/zinc/30/61/19/1134306119.db2.gz AKBSULSQGPTXCV-UHFFFAOYSA-N -1 0 340.495 3.762 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)cnc1Cl ZINC001187181228 1134306134 /nfs/dbraw/zinc/30/61/34/1134306134.db2.gz PFQGNAPOSCRDRK-UHFFFAOYSA-N -1 0 342.873 3.785 20 0 EHADRM O=S(=O)([N-]c1cccnc1C1CC1)c1cc2c(s1)CCCC2 ZINC001187184748 1134306194 /nfs/dbraw/zinc/30/61/94/1134306194.db2.gz KEMBYMBCIMWRAV-UHFFFAOYSA-N -1 0 334.466 3.700 20 0 EHADRM Cc1ccc(/C=C/S(=O)(=O)[N-]c2nnc(C3CCCCC3)o2)cc1 ZINC000775095620 1134306547 /nfs/dbraw/zinc/30/65/47/1134306547.db2.gz UPNAVABAKSOFEJ-VAWYXSNFSA-N -1 0 347.440 3.838 20 0 EHADRM O=S(=O)([N-]c1cc(F)ccc1F)c1cc2c(s1)CCCC2 ZINC001187173399 1134310824 /nfs/dbraw/zinc/31/08/24/1134310824.db2.gz BIGRLCMRMADYCO-UHFFFAOYSA-N -1 0 329.393 3.706 20 0 EHADRM O=S(=O)([N-]c1ccc2oncc2c1)c1cc2c(s1)CCCC2 ZINC001187210175 1134314898 /nfs/dbraw/zinc/31/48/98/1134314898.db2.gz RUZJXKJXBQWFER-UHFFFAOYSA-N -1 0 334.422 3.569 20 0 EHADRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)nc2)c1 ZINC000789738172 1134330406 /nfs/dbraw/zinc/33/04/06/1134330406.db2.gz RYLXYWXHLBUGKC-UHFFFAOYSA-N -1 0 328.796 3.627 20 0 EHADRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc([O-])c(Cl)c1 ZINC000075536267 1134368691 /nfs/dbraw/zinc/36/86/91/1134368691.db2.gz JPHPZMHOTNMXSS-WBVHZDCISA-N -1 0 340.810 3.958 20 0 EHADRM O=S(=O)([N-]c1c(Cl)cccc1-c1ccccc1)c1c[nH]cn1 ZINC001187769115 1134376595 /nfs/dbraw/zinc/37/65/95/1134376595.db2.gz JWUYTDROEKCZLX-UHFFFAOYSA-N -1 0 333.800 3.531 20 0 EHADRM [CH2]CCNS(=O)(=O)c1csc(C(F)(F)F)c1-c1ccccc1 ZINC001188479925 1134467223 /nfs/dbraw/zinc/46/72/23/1134467223.db2.gz BFAMCBSANDZKPV-UHFFFAOYSA-N -1 0 348.391 3.936 20 0 EHADRM O=C(N[C@@H]1CCCc2cnccc21)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188598598 1134479929 /nfs/dbraw/zinc/47/99/29/1134479929.db2.gz OOXGIBPWOYWESY-CQSZACIVSA-N -1 0 336.313 3.613 20 0 EHADRM COc1ccc(Cl)c(COC(=O)c2c(F)cc([O-])cc2F)c1 ZINC000791386786 1134541621 /nfs/dbraw/zinc/54/16/21/1134541621.db2.gz SLICRVGNRFMOQW-UHFFFAOYSA-N -1 0 328.698 3.689 20 0 EHADRM C[C@@H](CC(=O)c1ccccc1)NC(=O)c1cc2sccc2c(O)c1 ZINC000791389438 1134542513 /nfs/dbraw/zinc/54/25/13/1134542513.db2.gz OHMVILFUDBPQOF-LBPRGKRZSA-N -1 0 339.416 3.998 20 0 EHADRM CC1(C)CC(C)(C)c2cc(NC(=O)C(=O)[N-]OC3CCCC3)ccc21 ZINC000775222371 1134545535 /nfs/dbraw/zinc/54/55/35/1134545535.db2.gz RWYSDOYXQAAPOL-UHFFFAOYSA-N -1 0 344.455 3.574 20 0 EHADRM COc1c(Cl)cccc1[N-]S(=O)(=O)Cc1ccc(F)c(F)c1 ZINC001189263909 1134564229 /nfs/dbraw/zinc/56/42/29/1134564229.db2.gz IUXMTYJRGVNVTD-UHFFFAOYSA-N -1 0 347.770 3.569 20 0 EHADRM CCOc1ccc(-c2cc(NC(=O)Nc3nccs3)on2)cc1 ZINC001189342291 1134575197 /nfs/dbraw/zinc/57/51/97/1134575197.db2.gz AMIDWFGMVJUWPZ-UHFFFAOYSA-N -1 0 330.369 3.841 20 0 EHADRM Cc1ccnc2c([N-]S(=O)(=O)Cc3cccc(F)c3F)cccc12 ZINC001189456459 1134589932 /nfs/dbraw/zinc/58/99/32/1134589932.db2.gz VYLGSHSQISCGOR-UHFFFAOYSA-N -1 0 348.374 3.763 20 0 EHADRM CC(C)N(C(=O)c1ccccc1S(=O)(=O)[O-])[C@@H](C)c1ccccc1 ZINC001189689214 1134609798 /nfs/dbraw/zinc/60/97/98/1134609798.db2.gz BXZTVBIJUSTNAT-AWEZNQCLSA-N -1 0 347.436 3.545 20 0 EHADRM C[C@H](c1ccc(Cl)cc1Cl)S(=O)(=O)[N-]C(=O)C1=CCCC1 ZINC000772791126 1134671382 /nfs/dbraw/zinc/67/13/82/1134671382.db2.gz MBXZZYUEQDGFRK-SECBINFHSA-N -1 0 348.251 3.611 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)cc(C)c1C ZINC001190390392 1134689102 /nfs/dbraw/zinc/68/91/02/1134689102.db2.gz MNUPBOXDYCBJFV-UHFFFAOYSA-N -1 0 329.343 3.830 20 0 EHADRM CCOc1ccc(C)cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190387557 1134689468 /nfs/dbraw/zinc/68/94/68/1134689468.db2.gz HMNLZOXUPFYMRN-UHFFFAOYSA-N -1 0 345.342 3.612 20 0 EHADRM CCn1cc([N-]S(=O)(=O)c2ccc(C(C)(C)CC)cc2)c(C)n1 ZINC001190423436 1134698531 /nfs/dbraw/zinc/69/85/31/1134698531.db2.gz GRNKFXFUWHQYBT-UHFFFAOYSA-N -1 0 335.473 3.700 20 0 EHADRM Cc1ccc([C@@H]2CCN(C(=O)c3n[n-]c4ccccc4c3=O)C2)c(C)c1 ZINC000792554922 1134698901 /nfs/dbraw/zinc/69/89/01/1134698901.db2.gz GTMBPHBDIZRCMM-OAHLLOKOSA-N -1 0 347.418 3.582 20 0 EHADRM CSc1ncc(C(=O)Nc2ccc3[n-]c(=S)sc3c2)c(C)n1 ZINC001190515376 1134709991 /nfs/dbraw/zinc/70/99/91/1134709991.db2.gz HXZKPPCHXGCSGB-UHFFFAOYSA-N -1 0 348.478 3.658 20 0 EHADRM [O-]c1cc(CN2CCC[C@@H](F)C(F)(F)C2)c(F)c(F)c1Cl ZINC001250386854 1134728022 /nfs/dbraw/zinc/72/80/22/1134728022.db2.gz BOOKWJFSBFWXKT-SECBINFHSA-N -1 0 329.696 3.893 20 0 EHADRM CC(=O)c1cccc(C(=O)Nc2cc(Cl)c(C)c(Cl)c2[O-])n1 ZINC001190749934 1134746203 /nfs/dbraw/zinc/74/62/03/1134746203.db2.gz DZUZOXBYOVIOIM-UHFFFAOYSA-N -1 0 339.178 3.857 20 0 EHADRM Cc1ccc([C@H]([N-]S(=O)(=O)CC2CCCC2)C(F)(F)F)cc1 ZINC001191541820 1134882790 /nfs/dbraw/zinc/88/27/90/1134882790.db2.gz QFLZNHYGDKAQIB-AWEZNQCLSA-N -1 0 335.391 3.708 20 0 EHADRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cn(C2CCC2)cn1 ZINC001191671818 1134897597 /nfs/dbraw/zinc/89/75/97/1134897597.db2.gz VZHOOFKXARTSRM-UHFFFAOYSA-N -1 0 349.456 3.541 20 0 EHADRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1c(C)ccnc1C ZINC001191663480 1134901574 /nfs/dbraw/zinc/90/15/74/1134901574.db2.gz MXNHRIJESBKIFP-UHFFFAOYSA-N -1 0 334.441 3.631 20 0 EHADRM O=S(=O)(N[C@H](C1CCC1)C1CCCC1)c1cccc(Cl)c1[O-] ZINC001191719470 1134904442 /nfs/dbraw/zinc/90/44/42/1134904442.db2.gz HDHZPKSVETUIEX-HNNXBMFYSA-N -1 0 343.876 3.683 20 0 EHADRM Cc1nc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2Cl)cs1 ZINC001191730530 1134909685 /nfs/dbraw/zinc/90/96/85/1134909685.db2.gz FVBAGXJCUFXLQL-UHFFFAOYSA-N -1 0 337.253 3.868 20 0 EHADRM CCc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2Cl)on1 ZINC001191730622 1134913528 /nfs/dbraw/zinc/91/35/28/1134913528.db2.gz HWAVWGZYULOBMK-UHFFFAOYSA-N -1 0 335.212 3.653 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(OC)cc1C ZINC001191779981 1134920394 /nfs/dbraw/zinc/92/03/94/1134920394.db2.gz LXSBCYCJWVLRBU-UHFFFAOYSA-N -1 0 335.425 3.512 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cccc(SC)c1 ZINC001191820568 1134929412 /nfs/dbraw/zinc/92/94/12/1134929412.db2.gz ARGQOEJXISBQBH-UHFFFAOYSA-N -1 0 337.466 3.916 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2nc(C)oc2c1 ZINC001191821052 1134929982 /nfs/dbraw/zinc/92/99/82/1134929982.db2.gz FZVLVQAEFJVIST-UHFFFAOYSA-N -1 0 346.408 3.644 20 0 EHADRM O=S(=O)(Cc1ccc(Cl)cc1F)Nc1ccccc1[S-] ZINC001191893022 1134939475 /nfs/dbraw/zinc/93/94/75/1134939475.db2.gz DPPIPBYLZZQQQI-UHFFFAOYSA-N -1 0 331.821 3.710 20 0 EHADRM CCCCCCNC(=O)Nc1ccc(F)c(Br)c1[O-] ZINC001191978486 1134954755 /nfs/dbraw/zinc/95/47/55/1134954755.db2.gz SDXCQWKUYQKIIY-UHFFFAOYSA-N -1 0 333.201 3.996 20 0 EHADRM O=C([N-]c1ccnc(Cl)c1Cl)c1nc(Cc2ccccc2)no1 ZINC001192262706 1134989827 /nfs/dbraw/zinc/98/98/27/1134989827.db2.gz LRRXICQMFUXOLK-UHFFFAOYSA-N -1 0 349.177 3.615 20 0 EHADRM Cc1ccc2nc([N-]S(=O)(=O)c3cnc(Cl)cc3C)ccc2c1 ZINC001192309720 1134997530 /nfs/dbraw/zinc/99/75/30/1134997530.db2.gz APYKIXUFNOSXCN-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM O=C(NCc1cccnc1F)c1cc(Cl)c2ccccc2c1[O-] ZINC000794008157 1135013187 /nfs/dbraw/zinc/01/31/87/1135013187.db2.gz YPVSZDJKOGKBIN-UHFFFAOYSA-N -1 0 330.746 3.663 20 0 EHADRM N=C(NC(=O)c1c(F)ccc(F)c1[O-])C12CC3CC(CC(C3)C1)C2 ZINC001192715897 1135051031 /nfs/dbraw/zinc/05/10/31/1135051031.db2.gz BAGJRNIUZBQRKG-UHFFFAOYSA-N -1 0 334.366 3.594 20 0 EHADRM Cc1cccc(NC(=O)c2c([O-])ccc(F)c2F)c1Br ZINC001192765269 1135052240 /nfs/dbraw/zinc/05/22/40/1135052240.db2.gz WXIIVYDAQCDVNB-UHFFFAOYSA-N -1 0 342.139 3.994 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(C3CCC3)n2)c1 ZINC001192775943 1135052884 /nfs/dbraw/zinc/05/28/84/1135052884.db2.gz UTAMBGRVKVLOSB-UHFFFAOYSA-N -1 0 346.452 3.721 20 0 EHADRM O=C(Nc1cc(-c2ccc(F)cc2)no1)c1ccc(F)c(F)c1[O-] ZINC001192785166 1135054594 /nfs/dbraw/zinc/05/45/94/1135054594.db2.gz VLTXQFJXAFPJTM-UHFFFAOYSA-N -1 0 334.253 3.717 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3sncc3c2)c1 ZINC001192820748 1135058667 /nfs/dbraw/zinc/05/86/67/1135058667.db2.gz FSDCYYFRARNLAF-UHFFFAOYSA-N -1 0 348.449 3.668 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)c1 ZINC001192820698 1135059271 /nfs/dbraw/zinc/05/92/71/1135059271.db2.gz DTKNXIHJFLJENA-UHFFFAOYSA-N -1 0 333.453 3.984 20 0 EHADRM CC(C)c1nc(CN(C)C(=O)c2ccc([O-])c(F)c2F)cs1 ZINC001192833447 1135061354 /nfs/dbraw/zinc/06/13/54/1135061354.db2.gz SKDXXMGEXNOKBM-UHFFFAOYSA-N -1 0 326.368 3.523 20 0 EHADRM CCc1cc2c(cc1CC)CC(NC(=O)c1ccc([O-])c(F)c1F)C2 ZINC001192849812 1135065056 /nfs/dbraw/zinc/06/50/56/1135065056.db2.gz UGAXNMZVZZLINE-UHFFFAOYSA-N -1 0 345.389 3.692 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2cnccc2Cl)cc2ccccc21 ZINC001192901023 1135070865 /nfs/dbraw/zinc/07/08/65/1135070865.db2.gz WZQFCNCKHPAPEG-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM O=C(Nc1cc(OC(F)(F)F)ccc1O)c1cc(F)c([O-])cc1F ZINC001192879921 1135073920 /nfs/dbraw/zinc/07/39/20/1135073920.db2.gz RYXAPIKULSVHDP-UHFFFAOYSA-N -1 0 349.211 3.527 20 0 EHADRM O=C(Nc1nc(C2CC2)cs1)c1cc(Cl)nc(Cl)c1[O-] ZINC001193084330 1135097909 /nfs/dbraw/zinc/09/79/09/1135097909.db2.gz WGUBFXXCYJNSEG-UHFFFAOYSA-N -1 0 330.196 3.680 20 0 EHADRM CC(C)(C)Cc1cc(NC(=O)c2cc(Cl)nc(Cl)c2[O-])on1 ZINC001193084098 1135098092 /nfs/dbraw/zinc/09/80/92/1135098092.db2.gz KGBIGBSNZZJATG-UHFFFAOYSA-N -1 0 344.198 3.923 20 0 EHADRM CN(Cc1nsc2ccccc12)Cc1nc(=O)c2sccc2[n-]1 ZINC001193259926 1135118901 /nfs/dbraw/zinc/11/89/01/1135118901.db2.gz AOCWIUUWCAWZLQ-UHFFFAOYSA-N -1 0 342.449 3.639 20 0 EHADRM O=S(=O)(CC1CCC1)[N-]c1cccc(Cl)c1C(F)(F)F ZINC001193514376 1135149239 /nfs/dbraw/zinc/14/92/39/1135149239.db2.gz HANDRMUILKMFSK-UHFFFAOYSA-N -1 0 327.755 3.901 20 0 EHADRM O=C(Nc1ccncc1Oc1ccccc1)c1ccc(F)c([O-])c1F ZINC001193771140 1135178013 /nfs/dbraw/zinc/17/80/13/1135178013.db2.gz WZEBEXWHSYMCJH-UHFFFAOYSA-N -1 0 342.301 3.532 20 0 EHADRM CCN(C(=O)c1ccc(F)c([O-])c1F)[C@H](C)Cc1ccc(OC)cc1 ZINC001193771137 1135178239 /nfs/dbraw/zinc/17/82/39/1135178239.db2.gz WVWXQHXENAOCJN-GFCCVEGCSA-N -1 0 349.377 3.772 20 0 EHADRM CCCC[C@H](CC)COC(=O)Nc1nc[n-]c(=O)c1Br ZINC001193950613 1135213012 /nfs/dbraw/zinc/21/30/12/1135213012.db2.gz CFRWAOOUNRMYHK-VIFPVBQESA-N -1 0 346.225 3.710 20 0 EHADRM COC1(c2ccccc2)CN(C(=O)c2cc3sccc3c(O)c2)C1 ZINC000804914429 1135213458 /nfs/dbraw/zinc/21/34/58/1135213458.db2.gz DEFWRFGVTREIBV-UHFFFAOYSA-N -1 0 339.416 3.605 20 0 EHADRM CC(C)(C)c1ncc(C(=O)Nc2ccc3[n-]c(=S)sc3c2)cn1 ZINC001194013776 1135214557 /nfs/dbraw/zinc/21/45/57/1135214557.db2.gz FPFBLBQFUFSCLX-UHFFFAOYSA-N -1 0 344.465 3.925 20 0 EHADRM O=C([N-]C1=NCC(=O)C=C1Br)Oc1ccc(Cl)cc1 ZINC001194033556 1135217507 /nfs/dbraw/zinc/21/75/07/1135217507.db2.gz ZMJKZRXYBFACKW-UHFFFAOYSA-N -1 0 343.564 3.814 20 0 EHADRM O=S(=O)(Cc1noc2ccccc21)[N-]c1cccc2ccoc21 ZINC001194100947 1135233098 /nfs/dbraw/zinc/23/30/98/1135233098.db2.gz QESIGVYNMKLECR-UHFFFAOYSA-N -1 0 328.349 3.516 20 0 EHADRM CCn1cc([N-]S(=O)(=O)c2ccc(-c3cccs3)cc2)c(C)n1 ZINC001194142417 1135239201 /nfs/dbraw/zinc/23/92/01/1135239201.db2.gz UQRGYTWQMIFQCM-UHFFFAOYSA-N -1 0 347.465 3.741 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc3c(Cl)cccc3c2)nc(C)n1 ZINC001194216220 1135245225 /nfs/dbraw/zinc/24/52/25/1135245225.db2.gz VKWNGONJVSPITD-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM CN(C)c1ccc(C(=O)Nc2cc(Cl)c([O-])cc2F)c(F)c1 ZINC000805261511 1135254622 /nfs/dbraw/zinc/25/46/22/1135254622.db2.gz CTMJDQDNWRZVLU-UHFFFAOYSA-N -1 0 326.730 3.642 20 0 EHADRM Cc1ccc(O)c([N-]S(=O)(=O)c2cccc3c(Cl)nccc32)c1 ZINC001194490457 1135278560 /nfs/dbraw/zinc/27/85/60/1135278560.db2.gz LMMIGILYMKCDTP-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM Cc1cccc(C)c1[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC001194524436 1135281297 /nfs/dbraw/zinc/28/12/97/1135281297.db2.gz NNYUEDXXIXCYQB-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2c(C)cccc2C)c1 ZINC001194603018 1135291134 /nfs/dbraw/zinc/29/11/34/1135291134.db2.gz NJFBOZLDNUQMJU-UHFFFAOYSA-N -1 0 349.452 3.902 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc3nnsc32)c1 ZINC001195158814 1135384908 /nfs/dbraw/zinc/38/49/08/1135384908.db2.gz HFFIQVRUEPIOHF-UHFFFAOYSA-N -1 0 333.438 3.616 20 0 EHADRM O=C(NCc1coc(-c2cccs2)n1)c1cccc(Cl)c1[O-] ZINC000775645245 1135393243 /nfs/dbraw/zinc/39/32/43/1135393243.db2.gz HANVCZFBTNZXPE-UHFFFAOYSA-N -1 0 334.784 3.692 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc2ncccc2c1 ZINC001195268772 1135402905 /nfs/dbraw/zinc/40/29/05/1135402905.db2.gz ZZCHYXFSKCKOGZ-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM CN(C(=O)c1c([O-])c(F)c(F)c(F)c1F)[C@@H]1CCc2ccccc21 ZINC001195296882 1135407952 /nfs/dbraw/zinc/40/79/52/1135407952.db2.gz WIBJTAPPCGRNKB-SNVBAGLBSA-N -1 0 339.288 3.708 20 0 EHADRM CCOc1ccccc1[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC001195307891 1135410879 /nfs/dbraw/zinc/41/08/79/1135410879.db2.gz AESONOYTPGIGMS-UHFFFAOYSA-N -1 0 325.817 3.848 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cc(F)c(F)c(F)c1 ZINC001195307906 1135411076 /nfs/dbraw/zinc/41/10/76/1135411076.db2.gz BEYMOGMKMQKJQB-UHFFFAOYSA-N -1 0 335.734 3.867 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCC([C@H](O)c2ccccc2)CC1 ZINC000775653813 1135419430 /nfs/dbraw/zinc/41/94/30/1135419430.db2.gz BXBMILAMLFPRQK-QGZVFWFLSA-N -1 0 345.826 3.631 20 0 EHADRM CCN(C(=O)c1cccc(Cl)c1[O-])c1ccc(OC)c(OC)c1 ZINC000775654630 1135425470 /nfs/dbraw/zinc/42/54/70/1135425470.db2.gz NHRGUMSEMMQXRT-UHFFFAOYSA-N -1 0 335.787 3.730 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)c2c(C)nc(C(C)(C)C)[nH]c2=O)s1 ZINC000747368395 1135514140 /nfs/dbraw/zinc/51/41/40/1135514140.db2.gz FOGQATJMQMIUTE-JTQLQIEISA-N -1 0 333.457 3.649 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2ccc(Cl)cn2)c(Cl)cc1C ZINC001196250686 1135535161 /nfs/dbraw/zinc/53/51/61/1135535161.db2.gz NXHGWUWFYMLTDS-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc3c(C)ccnc23)c(F)c1 ZINC001196382218 1135552574 /nfs/dbraw/zinc/55/25/74/1135552574.db2.gz GBVAEGQHHSDVJY-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM CC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC001196383744 1135552622 /nfs/dbraw/zinc/55/26/22/1135552622.db2.gz KIDZPTGSWXYNMQ-UHFFFAOYSA-N -1 0 341.791 3.791 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(cnn3C(C)C)c2)c(F)c1 ZINC001196384573 1135552638 /nfs/dbraw/zinc/55/26/38/1135552638.db2.gz RQSSMEILIPGDRH-UHFFFAOYSA-N -1 0 347.415 3.866 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccn2)c(F)c1 ZINC001196382440 1135552738 /nfs/dbraw/zinc/55/27/38/1135552738.db2.gz AXDGUGQSDJYROC-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccncc3)cc2)c(F)c1 ZINC001196383516 1135553167 /nfs/dbraw/zinc/55/31/67/1135553167.db2.gz SZFJIAQFORRQGS-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM COC(=O)c1ccc(NC(=S)Nc2ccc([S-])c(OC)c2)cc1 ZINC001196771989 1135613730 /nfs/dbraw/zinc/61/37/30/1135613730.db2.gz VDQWLEGIOBPAKR-UHFFFAOYSA-N -1 0 348.449 3.579 20 0 EHADRM CCc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(OC)ccc1F ZINC001196778486 1135615025 /nfs/dbraw/zinc/61/50/25/1135615025.db2.gz HVFILSSGZANLQG-UHFFFAOYSA-N -1 0 343.807 3.851 20 0 EHADRM O=C(N[C@H](c1ccccc1)C1CCOCC1)c1cccc(Cl)c1[O-] ZINC000775745753 1135620388 /nfs/dbraw/zinc/62/03/88/1135620388.db2.gz FDAKEKRABQYLDB-QGZVFWFLSA-N -1 0 345.826 3.943 20 0 EHADRM C[C@H]1c2ccccc2CCN1C(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197075580 1135647187 /nfs/dbraw/zinc/64/71/87/1135647187.db2.gz MVEMDSGNTWJOOT-LBPRGKRZSA-N -1 0 326.421 3.701 20 0 EHADRM Cn1c(NC(=S)Nc2ccc(C(=O)[O-])cc2)cc2ccccc21 ZINC001197082370 1135648171 /nfs/dbraw/zinc/64/81/71/1135648171.db2.gz CUDWDFLSAMLTAE-UHFFFAOYSA-N -1 0 325.393 3.685 20 0 EHADRM Cc1ccc(Cl)c(CNC(=S)Nc2ccc(C(=O)[O-])cc2)c1 ZINC001197139655 1135649599 /nfs/dbraw/zinc/64/95/99/1135649599.db2.gz UODPGPLXLLZPAN-UHFFFAOYSA-N -1 0 334.828 3.833 20 0 EHADRM CCN(Cc1ccccc1F)C(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197103264 1135650119 /nfs/dbraw/zinc/65/01/19/1135650119.db2.gz JWGDYPXAOXBWLS-UHFFFAOYSA-N -1 0 332.400 3.743 20 0 EHADRM CC(=O)c1ccc(C)c(NC(=S)Nc2ccc(C(=O)[O-])cc2)c1 ZINC001197111977 1135650748 /nfs/dbraw/zinc/65/07/48/1135650748.db2.gz IIUQTBAIHOEDCK-UHFFFAOYSA-N -1 0 328.393 3.705 20 0 EHADRM CC1(C)Oc2ccc(NC(=S)Nc3ccc(C(=O)[O-])cc3)cc2O1 ZINC001197113834 1135651392 /nfs/dbraw/zinc/65/13/92/1135651392.db2.gz VVICQPQACGLLAF-UHFFFAOYSA-N -1 0 344.392 3.701 20 0 EHADRM CC(=O)c1cc(C)ccc1NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197122000 1135651920 /nfs/dbraw/zinc/65/19/20/1135651920.db2.gz VBDMHDMZZPZKBS-UHFFFAOYSA-N -1 0 328.393 3.705 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N[C@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 ZINC001197147783 1135653797 /nfs/dbraw/zinc/65/37/97/1135653797.db2.gz QELGUNXOJIDDMZ-CABCVRRESA-N -1 0 346.839 3.881 20 0 EHADRM C[C@H](NC(=O)c1cccc(Cl)c1[O-])c1ccc(-n2cccn2)cc1 ZINC000775762773 1135657794 /nfs/dbraw/zinc/65/77/94/1135657794.db2.gz JWGAZVLQFQVGPB-LBPRGKRZSA-N -1 0 341.798 3.722 20 0 EHADRM C[C@@H]1CN(C(=O)c2cccc(Cl)c2[O-])[C@H](c2ccccc2)CO1 ZINC000775766546 1135668727 /nfs/dbraw/zinc/66/87/27/1135668727.db2.gz YYWFERIDEVOEHO-WBMJQRKESA-N -1 0 331.799 3.648 20 0 EHADRM CCC(CC)(NC(=O)/C=C(/C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000808519752 1135686430 /nfs/dbraw/zinc/68/64/30/1135686430.db2.gz ZRUOAYSZMUUBFX-KHPPLWFESA-N -1 0 343.345 3.868 20 0 EHADRM C[C@@H](OC(=O)c1cc(F)c([O-])c(F)c1)C(=O)C1(c2ccccc2)CC1 ZINC000808524119 1135686837 /nfs/dbraw/zinc/68/68/37/1135686837.db2.gz ZNQAWCJSAWMBHO-LLVKDONJSA-N -1 0 346.329 3.517 20 0 EHADRM O=S(=O)([N-]c1n[nH]c2ccccc21)c1ccc(Cl)cc1Cl ZINC000808538505 1135691729 /nfs/dbraw/zinc/69/17/29/1135691729.db2.gz UGEBURVXVSBWFX-UHFFFAOYSA-N -1 0 342.207 3.671 20 0 EHADRM Cc1ccc2nc(NS(=O)(=O)Cc3c(F)cccc3F)ccc2c1 ZINC001197564237 1135706419 /nfs/dbraw/zinc/70/64/19/1135706419.db2.gz DHAHWRLEBHCSHP-UHFFFAOYSA-N -1 0 348.374 3.763 20 0 EHADRM Cc1c(NC(=O)c2cccc(Cl)c2[O-])cnn1-c1ccccc1F ZINC000775782660 1135728656 /nfs/dbraw/zinc/72/86/56/1135728656.db2.gz KFPLYSZDLXZFFM-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM Cc1ccc(N2CCN(C(=O)c3cccc(Cl)c3[O-])CC2)cc1C ZINC000775802251 1135754170 /nfs/dbraw/zinc/75/41/70/1135754170.db2.gz TYNAPWXIYBRKJZ-UHFFFAOYSA-N -1 0 344.842 3.625 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2F)c1 ZINC001197999276 1135760060 /nfs/dbraw/zinc/76/00/60/1135760060.db2.gz OXVBAFPNXUUJIY-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2ccccc2OC2CCCCC2)c1 ZINC001198004463 1135760780 /nfs/dbraw/zinc/76/07/80/1135760780.db2.gz ICSFRBDJHFUKBZ-UHFFFAOYSA-N -1 0 346.452 3.902 20 0 EHADRM Cn1cc(NC(=O)c2cccc(Cl)c2[O-])c(-c2ccccc2)n1 ZINC000775815936 1135769668 /nfs/dbraw/zinc/76/96/68/1135769668.db2.gz KDKAOQJKNFKXSO-UHFFFAOYSA-N -1 0 327.771 3.698 20 0 EHADRM COCCOCc1ccc(/C=C/c2ncc(/C=C/C(=O)[O-])s2)cc1 ZINC000809153678 1135790782 /nfs/dbraw/zinc/79/07/82/1135790782.db2.gz BSETYIITYQLQHH-CDJQDVQCSA-N -1 0 345.420 3.574 20 0 EHADRM COc1cc(NC(=S)Nc2ccc3c(c2)OCO3)ccc1[S-] ZINC001198293983 1135795666 /nfs/dbraw/zinc/79/56/66/1135795666.db2.gz PKOVDFPZMJFBCY-UHFFFAOYSA-N -1 0 334.422 3.522 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)Cc2ccccc2-3)cn1 ZINC001198314912 1135798955 /nfs/dbraw/zinc/79/89/55/1135798955.db2.gz KTSUMEXJIJDAPB-UHFFFAOYSA-N -1 0 336.416 3.762 20 0 EHADRM O=S(=O)([N-]c1cccnc1C(F)(F)F)c1ccc2occc2c1 ZINC001198827503 1135857114 /nfs/dbraw/zinc/85/71/14/1135857114.db2.gz WILOZWAQVWJPRJ-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc3occc3c2)c2ccccc2n1 ZINC001198820826 1135859362 /nfs/dbraw/zinc/85/93/62/1135859362.db2.gz RBOCMYNVDPTZJZ-UHFFFAOYSA-N -1 0 338.388 3.512 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCC[C@]2(C1)OCc1ccccc12 ZINC000775999615 1135916110 /nfs/dbraw/zinc/91/61/10/1135916110.db2.gz VOTIASVXRYVZGF-LJQANCHMSA-N -1 0 343.810 3.707 20 0 EHADRM CCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000776068353 1135947072 /nfs/dbraw/zinc/94/70/72/1135947072.db2.gz DNHLYLLETTYYJP-SNVBAGLBSA-N -1 0 337.894 3.813 20 0 EHADRM CC(C)(C)CS(=O)(=O)[N-]C(=O)CCCc1ccc2ccccc2c1 ZINC000776088590 1135952568 /nfs/dbraw/zinc/95/25/68/1135952568.db2.gz NWYDKBAUBCYHOL-UHFFFAOYSA-N -1 0 347.480 3.655 20 0 EHADRM CCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000776097277 1135954562 /nfs/dbraw/zinc/95/45/62/1135954562.db2.gz JDVJVQGIDJPDAX-GFCCVEGCSA-N -1 0 347.427 3.517 20 0 EHADRM Cc1ccncc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1F ZINC001201244612 1135998655 /nfs/dbraw/zinc/99/86/55/1135998655.db2.gz OHMQKZOEJPVFLK-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM O=C(NCc1cc(Cl)ccn1)C(F)(F)c1cccc(Cl)c1 ZINC000776232187 1136087330 /nfs/dbraw/zinc/08/73/30/1136087330.db2.gz IFARQOTUGCHYHM-UHFFFAOYSA-N -1 0 331.149 3.797 20 0 EHADRM CCS[C@H]1CCC[C@@H](NC(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000811821723 1136145576 /nfs/dbraw/zinc/14/55/76/1136145576.db2.gz OIZOQIIECKJXDN-NEPJUHHUSA-N -1 0 341.860 3.832 20 0 EHADRM O=C(NC(=O)c1ccccc1)Nc1ccc2[n-]c(=S)sc2c1 ZINC001202454595 1136145650 /nfs/dbraw/zinc/14/56/50/1136145650.db2.gz ORZBTEONZJZSHE-UHFFFAOYSA-N -1 0 329.406 3.547 20 0 EHADRM Cc1cc(C(C)(C)C(=O)[N-]OC/C=C\Cl)ccc1Br ZINC000812400161 1136201129 /nfs/dbraw/zinc/20/11/29/1136201129.db2.gz GKEGYHMRBJEAII-DAXSKMNVSA-N -1 0 346.652 3.835 20 0 EHADRM CON(Cc1ccccc1Cl)C(=O)c1ccc(Cl)cc1[O-] ZINC000812428237 1136207080 /nfs/dbraw/zinc/20/70/80/1136207080.db2.gz LZFQBLBBCNBBQA-UHFFFAOYSA-N -1 0 326.179 3.903 20 0 EHADRM O=C([N-]OC/C=C/Cl)[C@H](c1ccccc1)N1CCc2ccccc21 ZINC000812405766 1136209359 /nfs/dbraw/zinc/20/93/59/1136209359.db2.gz GUVIQVLJLGHDHL-VQANOXKBSA-N -1 0 342.826 3.591 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C(F)(F)c2ccc(OC)cc2)c1 ZINC000812704548 1136235389 /nfs/dbraw/zinc/23/53/89/1136235389.db2.gz OTUTWQJCONKJEE-UHFFFAOYSA-N -1 0 349.333 3.724 20 0 EHADRM CC(C)c1ccc(NC(=O)C(=O)[N-]OCC2CCC2)c(C(C)C)c1 ZINC000850717610 1136297499 /nfs/dbraw/zinc/29/74/99/1136297499.db2.gz LQOHFUUBDKTTBU-UHFFFAOYSA-N -1 0 332.444 3.720 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCC3(CC3)C2)c1 ZINC000850907273 1136317283 /nfs/dbraw/zinc/31/72/83/1136317283.db2.gz XPKIJZYAHZHXGC-OAHLLOKOSA-N -1 0 335.469 3.585 20 0 EHADRM CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1cccc2c(C)ccnc21 ZINC000851138409 1136341464 /nfs/dbraw/zinc/34/14/64/1136341464.db2.gz YSBXLYBBHWJGRY-CQSZACIVSA-N -1 0 348.468 3.565 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])[C@H](O)c1ccc(Cl)cc1F ZINC000813500509 1136342727 /nfs/dbraw/zinc/34/27/27/1136342727.db2.gz HEUFWNKFOHXHDQ-GFCCVEGCSA-N -1 0 330.142 3.510 20 0 EHADRM O=C(O[C@@H]1C[C@H]([N-]C(=O)C(F)(F)F)c2ccccc21)C1=CCCC1 ZINC000851176053 1136346152 /nfs/dbraw/zinc/34/61/52/1136346152.db2.gz MPHYUKLTESYGRI-UONOGXRCSA-N -1 0 339.313 3.505 20 0 EHADRM O=S(=O)(/C=C\c1ccc(F)cc1)[N-]c1nc2ccsc2s1 ZINC000747860470 1136346335 /nfs/dbraw/zinc/34/63/35/1136346335.db2.gz YKTYARIHGPHPIH-VURMDHGXSA-N -1 0 340.426 3.910 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H](C)c1cccc(C)c1 ZINC000814016602 1136386698 /nfs/dbraw/zinc/38/66/98/1136386698.db2.gz NPVXXPFIYAAUQQ-QAPCUYQASA-N -1 0 345.464 3.696 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(C)cc1C ZINC000814020759 1136387017 /nfs/dbraw/zinc/38/70/17/1136387017.db2.gz MTLNAMVQIYAVMU-KRWDZBQOSA-N -1 0 331.437 3.514 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCc1cccc(C)c1 ZINC000814021209 1136387047 /nfs/dbraw/zinc/38/70/47/1136387047.db2.gz OIOKFTCVPWTARP-GOSISDBHSA-N -1 0 345.464 3.525 20 0 EHADRM CC1(C)CCC[C@@H]1[C@H]1CCN(C(=O)c2ccc(/C=C/C(=O)[O-])o2)C1 ZINC000851609347 1136396069 /nfs/dbraw/zinc/39/60/69/1136396069.db2.gz UFCDLCVHPAFSJY-MTENODCZSA-N -1 0 331.412 3.666 20 0 EHADRM Cc1cccc(C)c1[C@@H]1CCCN1C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851608817 1136396267 /nfs/dbraw/zinc/39/62/67/1136396267.db2.gz FDMOFKQWEPARJR-SOGBHIHOSA-N -1 0 339.391 3.972 20 0 EHADRM Cc1coc(-c2ccc(C)c(NC(=O)C3CCC(C(=O)[O-])CC3)c2)n1 ZINC000851693673 1136399882 /nfs/dbraw/zinc/39/98/82/1136399882.db2.gz ORGICDZEDDNRCY-UHFFFAOYSA-N -1 0 342.395 3.788 20 0 EHADRM O=C([O-])C[C@H](CNC(=O)c1cccc(Nc2ccccc2)c1)C1CC1 ZINC000851705759 1136400522 /nfs/dbraw/zinc/40/05/22/1136400522.db2.gz QTRXQADNYNBVNT-MRXNPFEDSA-N -1 0 338.407 3.661 20 0 EHADRM CC[C@H](c1nnc(NC([O-])=NOCCC2CC2)s1)c1ccccc1 ZINC000814633277 1136483379 /nfs/dbraw/zinc/48/33/79/1136483379.db2.gz DPHSDPXLBJUFMX-AWEZNQCLSA-N -1 0 346.456 3.933 20 0 EHADRM COc1cccc(/C(C)=C\C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC000776632526 1136492957 /nfs/dbraw/zinc/49/29/57/1136492957.db2.gz WGFUTOYFZAWCAN-WTWRPZBJSA-N -1 0 337.375 3.835 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000776631936 1136494332 /nfs/dbraw/zinc/49/43/32/1136494332.db2.gz QUPNQLNUCLQCAG-DGPIVGRDSA-N -1 0 327.405 3.897 20 0 EHADRM CCCN(C)C(=O)N(C)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000776687503 1136555097 /nfs/dbraw/zinc/55/50/97/1136555097.db2.gz XSHYBINOHSKCRA-GFCCVEGCSA-N -1 0 333.215 3.513 20 0 EHADRM CCCCN(C(=O)c1n[n-]c2ccccc2c1=O)[C@H](C)c1ccccc1 ZINC000111585282 1136562941 /nfs/dbraw/zinc/56/29/41/1136562941.db2.gz KAQXIUHYOHYVES-OAHLLOKOSA-N -1 0 349.434 3.927 20 0 EHADRM CC/C=C(/C)C(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000112158958 1136608160 /nfs/dbraw/zinc/60/81/60/1136608160.db2.gz BHPWFICJZFDCCB-AUWJEWJLSA-N -1 0 329.421 3.515 20 0 EHADRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1cc(Cl)sc1Cl ZINC000112493498 1136635419 /nfs/dbraw/zinc/63/54/19/1136635419.db2.gz CYUMWFDORVBASQ-ZETCQYMHSA-N -1 0 344.285 3.551 20 0 EHADRM COc1ccccc1C1(C(=O)[N-]OCC(F)(F)F)CCCCC1 ZINC000815829456 1136641222 /nfs/dbraw/zinc/64/12/22/1136641222.db2.gz VFCTZMMONOBKRZ-UHFFFAOYSA-N -1 0 331.334 3.507 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)C(C)(C)C(C)(C)C)c1C ZINC000815898204 1136648893 /nfs/dbraw/zinc/64/88/93/1136648893.db2.gz WFDCZMLLGOUIAB-UHFFFAOYSA-N -1 0 339.501 3.797 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@H]1CC[C@@H](C)C1 ZINC000816108929 1136677286 /nfs/dbraw/zinc/67/72/86/1136677286.db2.gz QWTHFTWBIBTFLP-RVKKMQEKSA-N -1 0 337.485 3.656 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C(C)(C)C(C)(C)C ZINC000816110128 1136677503 /nfs/dbraw/zinc/67/75/03/1136677503.db2.gz UEEGAJKJURTJGS-OAHLLOKOSA-N -1 0 339.501 3.902 20 0 EHADRM CC(C(=O)[N-]S(=O)(=O)[C@@H](c1ccccc1)C(C)C)=C1CCCC1 ZINC000816110965 1136677521 /nfs/dbraw/zinc/67/75/21/1136677521.db2.gz MLFMNQBEIPYOHY-QGZVFWFLSA-N -1 0 335.469 3.720 20 0 EHADRM CC[C@@H](C)CCC(=O)[N-]S(=O)(=O)[C@@H](c1ccccc1)C(C)C ZINC000816111967 1136677559 /nfs/dbraw/zinc/67/75/59/1136677559.db2.gz KRYFVIRENOPDNS-RHSMWYFYSA-N -1 0 325.474 3.656 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CC1=CCCCC1 ZINC000816111084 1136677739 /nfs/dbraw/zinc/67/77/39/1136677739.db2.gz PMLLEOLCLMWPTD-SFHVURJKSA-N -1 0 335.469 3.720 20 0 EHADRM O=C(Nc1ccc(F)c(F)c1)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC001135431403 1136683106 /nfs/dbraw/zinc/68/31/06/1136683106.db2.gz DOQCDHUKRMCVOB-UHFFFAOYSA-N -1 0 349.724 3.762 20 0 EHADRM CC1(C)CCN(C(=O)c2n[n-]c3ccccc3c2=O)CC(C)(C)C1 ZINC000855690586 1136718627 /nfs/dbraw/zinc/71/86/27/1136718627.db2.gz QUTDCNXIOKYXNL-UHFFFAOYSA-N -1 0 327.428 3.624 20 0 EHADRM CC(=O)Nc1ccc(C)c(NC(=O)c2ccc3oc(=S)[n-]c3c2)c1 ZINC000816870292 1136759864 /nfs/dbraw/zinc/75/98/64/1136759864.db2.gz VSGWZKGNBVZSGE-UHFFFAOYSA-N -1 0 341.392 3.636 20 0 EHADRM O=C(Cc1csc(-c2ccc(Cl)cc2)n1)[N-]OCC1CCC1 ZINC000856344453 1136778665 /nfs/dbraw/zinc/77/86/65/1136778665.db2.gz KFPAIIRCLYXHNN-UHFFFAOYSA-N -1 0 336.844 3.854 20 0 EHADRM O=C(Cc1csc(-c2ccc(Cl)s2)n1)[N-]OCC1CC1 ZINC000817355542 1136797837 /nfs/dbraw/zinc/79/78/37/1136797837.db2.gz ZWLNZPZDIODBFU-UHFFFAOYSA-N -1 0 328.846 3.525 20 0 EHADRM O=C(Nc1ccc(Cl)c2cccnc12)c1s[n-]c(=O)c1Cl ZINC001136059965 1136846845 /nfs/dbraw/zinc/84/68/45/1136846845.db2.gz BGYPIMUCOQLWRA-UHFFFAOYSA-N -1 0 340.191 3.956 20 0 EHADRM O=C(N[C@H](c1nccs1)C(F)(F)F)c1cccc(Cl)c1[O-] ZINC000818323127 1136870435 /nfs/dbraw/zinc/87/04/35/1136870435.db2.gz YLQLBQZDAHZIAV-SECBINFHSA-N -1 0 336.722 3.536 20 0 EHADRM CC(C)c1cccc(O[C@H](C)C(=O)[N-]OCc2ccc(F)cc2)c1 ZINC000857484331 1136876428 /nfs/dbraw/zinc/87/64/28/1136876428.db2.gz BPIOLPPIAKMZDQ-CQSZACIVSA-N -1 0 331.387 3.964 20 0 EHADRM O=C(CSCc1coc(-c2ccccc2)n1)[N-]Oc1ccccc1 ZINC000820048708 1136974720 /nfs/dbraw/zinc/97/47/20/1136974720.db2.gz DBBRWCHZMUYBNL-UHFFFAOYSA-N -1 0 340.404 3.685 20 0 EHADRM COc1ccc(Cl)cc1C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000201229600 1137039583 /nfs/dbraw/zinc/03/95/83/1137039583.db2.gz QZJQMIUEAKBKTI-WTKPLQERSA-N -1 0 331.755 3.699 20 0 EHADRM O=C([N-]OC1CCCC1)c1ccc(-c2cccc(Cl)c2)[nH]c1=O ZINC000860601079 1137068495 /nfs/dbraw/zinc/06/84/95/1137068495.db2.gz FOCXTWFXZKRLFN-UHFFFAOYSA-N -1 0 332.787 3.712 20 0 EHADRM Cc1cccc(CSCC(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC000013401927 1137080866 /nfs/dbraw/zinc/08/08/66/1137080866.db2.gz MPTJNRLXFKNERM-JXMROGBWSA-N -1 0 341.432 3.965 20 0 EHADRM COc1ccc(Cl)cc1C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000013401840 1137080908 /nfs/dbraw/zinc/08/09/08/1137080908.db2.gz QZJQMIUEAKBKTI-RUDMXATFSA-N -1 0 331.755 3.699 20 0 EHADRM O=C(c1ccc(Cl)c([O-])c1)N1C[C@@H]2CCCN2c2ccccc21 ZINC001136692487 1137090274 /nfs/dbraw/zinc/09/02/74/1137090274.db2.gz ZSMNBJXSNVVXHX-ZDUSSCGKSA-N -1 0 328.799 3.675 20 0 EHADRM O=C(c1cc(Br)cc(F)c1[O-])N1CCC[C@H]2CCC[C@H]21 ZINC001136780189 1137115407 /nfs/dbraw/zinc/11/54/07/1137115407.db2.gz UEAIVHFXRWIPHZ-NOZJJQNGSA-N -1 0 342.208 3.699 20 0 EHADRM CCOCc1ccc(CNC(=O)c2ccc3[n-]c(=S)oc3c2)cc1 ZINC000118768561 1137131527 /nfs/dbraw/zinc/13/15/27/1137131527.db2.gz DXGURRGYGULAEG-UHFFFAOYSA-N -1 0 342.420 3.583 20 0 EHADRM CN1CCCN(C(=O)c2ccc3oc(=S)[n-]c3c2)c2ccccc21 ZINC001136912929 1137145732 /nfs/dbraw/zinc/14/57/32/1137145732.db2.gz VCPKLDPFTKXESV-UHFFFAOYSA-N -1 0 339.420 3.603 20 0 EHADRM CN(C[C@H]1CC1(C)C)C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000824774375 1137151242 /nfs/dbraw/zinc/15/12/42/1137151242.db2.gz WVUHSHSTSHGMRE-CYBMUJFWSA-N -1 0 327.380 3.583 20 0 EHADRM Cc1cccc2c1C[C@H](c1nc(-c3ccc(CCC(=O)[O-])cc3)no1)N2 ZINC000863655473 1137196981 /nfs/dbraw/zinc/19/69/81/1137196981.db2.gz DZVONCBOUIJCDV-QGZVFWFLSA-N -1 0 349.390 3.772 20 0 EHADRM CCCc1ccc(CCCC(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000844155076 1137200135 /nfs/dbraw/zinc/20/01/35/1137200135.db2.gz HSEUVIOXQLCPAI-CRAIPNDOSA-N -1 0 331.456 3.531 20 0 EHADRM O=C([O-])c1nnc2ccccc2c1N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000844213811 1137204587 /nfs/dbraw/zinc/20/45/87/1137204587.db2.gz MZNYISQTOLZIPI-PBHICJAKSA-N -1 0 349.390 3.660 20 0 EHADRM Cc1ccncc1[C@@H](C)[NH2+]Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000794571159 1137207960 /nfs/dbraw/zinc/20/79/60/1137207960.db2.gz YFHZUXWWYCONMY-LLVKDONJSA-N -1 0 344.798 3.706 20 0 EHADRM O=Cc1cc(C(=O)[O-])cc(-c2cc(F)ccc2OC[C@@H]2CCCO2)c1 ZINC000863973375 1137209609 /nfs/dbraw/zinc/20/96/09/1137209609.db2.gz MAIXFLWEWYMLEO-INIZCTEOSA-N -1 0 344.338 3.561 20 0 EHADRM COc1ccc([C@@H](C)N(C)C(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000864102942 1137215038 /nfs/dbraw/zinc/21/50/38/1137215038.db2.gz REOXVFDCIRUXSS-CYBMUJFWSA-N -1 0 327.380 3.535 20 0 EHADRM CC[C@@H](C)N(Cc1ccccc1)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000864100919 1137215073 /nfs/dbraw/zinc/21/50/73/1137215073.db2.gz ADHCPUWMZJXLRT-GAJOTYCWSA-N -1 0 327.380 3.818 20 0 EHADRM CCN(C(=O)/C=C\c1cc(C(=O)[O-])co1)[C@@H](C)c1cccc(OC)c1 ZINC000864104265 1137215215 /nfs/dbraw/zinc/21/52/15/1137215215.db2.gz ASDGCFPDGQTXJD-YXVBKTCISA-N -1 0 343.379 3.609 20 0 EHADRM O=C([O-])c1coc(/C=C\C(=O)N(Cc2ccc(F)cc2)CC2CC2)c1 ZINC000864111138 1137215488 /nfs/dbraw/zinc/21/54/88/1137215488.db2.gz SMTXOGJEHRJQEH-FPLPWBNLSA-N -1 0 343.354 3.569 20 0 EHADRM Cc1ccc(C[C@H]2CCCN2C(=O)/C=C/c2cc(C(=O)[O-])co2)cc1 ZINC000864108455 1137215590 /nfs/dbraw/zinc/21/55/90/1137215590.db2.gz ZQABBVUDNFDKMJ-KBOKABMXSA-N -1 0 339.391 3.533 20 0 EHADRM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000864119967 1137215975 /nfs/dbraw/zinc/21/59/75/1137215975.db2.gz RDZKRYHOIWYDCD-CAPXZKIUSA-N -1 0 339.391 3.534 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)Cc1csc2sc(C)cc12 ZINC000864117589 1137216029 /nfs/dbraw/zinc/21/60/29/1137216029.db2.gz BBLYSYLAROWXPW-HNNXBMFYSA-N -1 0 325.455 3.573 20 0 EHADRM CCCN(Cc1ccc(C)cc1)C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000864125290 1137216267 /nfs/dbraw/zinc/21/62/67/1137216267.db2.gz ROUDFULCUBLOJM-CMDGGOBGSA-N -1 0 327.380 3.738 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)c1ccc(C2CCOCC2)cc1 ZINC000864133066 1137216682 /nfs/dbraw/zinc/21/66/82/1137216682.db2.gz YRCIJYCLFLPESJ-UHFFFAOYSA-N -1 0 347.455 3.736 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Cc1coc2cc(Cl)ccc12 ZINC000864132373 1137216791 /nfs/dbraw/zinc/21/67/91/1137216791.db2.gz QTULUZGDWNXCOB-CQSZACIVSA-N -1 0 349.814 3.875 20 0 EHADRM Cc1cc2c(CC(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])csc2s1 ZINC000864139074 1137216815 /nfs/dbraw/zinc/21/68/15/1137216815.db2.gz CVMFNEWIYHCMTO-ITDIGPHOSA-N -1 0 349.477 3.525 20 0 EHADRM O=C([O-])CC1(NC(=O)/C=C/c2ccccc2C(F)(F)F)CCCC1 ZINC000864142692 1137216915 /nfs/dbraw/zinc/21/69/15/1137216915.db2.gz NOLFEBLUKUDCNJ-BQYQJAHWSA-N -1 0 341.329 3.622 20 0 EHADRM Cc1ccc(C(=O)N2CCc3cccc(F)c3[C@H]2C)cc1C(=O)[O-] ZINC000864177808 1137217844 /nfs/dbraw/zinc/21/78/44/1137217844.db2.gz MQALFSBXGKHQDK-GFCCVEGCSA-N -1 0 327.355 3.592 20 0 EHADRM C[C@@H]1CN(C(=O)c2sc3ccccc3c2Cl)C[C@@]1(C)C(=O)[O-] ZINC000864182442 1137218192 /nfs/dbraw/zinc/21/81/92/1137218192.db2.gz ZVZWTGAVUJMIOS-JDNHERCYSA-N -1 0 337.828 3.738 20 0 EHADRM COc1ccc(N(CC2CC2)C(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000864187674 1137218356 /nfs/dbraw/zinc/21/83/56/1137218356.db2.gz BCGSPXWTMNHYJE-UHFFFAOYSA-N -1 0 339.391 3.759 20 0 EHADRM CSc1cc(C)c(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)o1 ZINC000864228270 1137219429 /nfs/dbraw/zinc/21/94/29/1137219429.db2.gz LZEUJMBAHDMPAS-LLVKDONJSA-N -1 0 331.393 3.529 20 0 EHADRM C/C=C/C=C/C(=O)Nc1c(CC(=O)[O-])cccc1C(=O)c1ccccc1 ZINC001144002340 1137227728 /nfs/dbraw/zinc/22/77/28/1137227728.db2.gz RYFRFFATDQFOIW-QTEKZCJASA-N -1 0 349.386 3.616 20 0 EHADRM C/C(=C/c1ccc(-c2cccc(CO[C@H]3CCOC3)c2)o1)C(=O)[O-] ZINC000864608722 1137236459 /nfs/dbraw/zinc/23/64/59/1137236459.db2.gz MGZDXGYFNSTIDY-GQPJMJRUSA-N -1 0 328.364 3.740 20 0 EHADRM CC[C@H](C)Sc1ccc(NCc2cn(C)nc2C(=O)[O-])c(C)c1 ZINC000864784064 1137245877 /nfs/dbraw/zinc/24/58/77/1137245877.db2.gz SCJQGHRJZBXTHH-LBPRGKRZSA-N -1 0 333.457 3.929 20 0 EHADRM CCCCCc1nnc([N-]C(=O)c2scnc2C(F)F)s1 ZINC000864969850 1137255857 /nfs/dbraw/zinc/25/58/57/1137255857.db2.gz ZHJGZWGPQVJEPT-UHFFFAOYSA-N -1 0 332.401 3.917 20 0 EHADRM CCc1nc(Cl)c(C)c(N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)n1 ZINC000844931733 1137263616 /nfs/dbraw/zinc/26/36/16/1137263616.db2.gz VMYJZBSPJZYUEQ-QWHCGFSZSA-N -1 0 331.803 3.726 20 0 EHADRM CC(C)c1[nH]ccc1C(=O)[N-]S(=O)(=O)[C@H](c1ccccc1)C(C)C ZINC000845575969 1137299335 /nfs/dbraw/zinc/29/93/35/1137299335.db2.gz AJKMLMXSMBDDDF-KRWDZBQOSA-N -1 0 348.468 3.595 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)/C=C/C1CCCCCC1 ZINC000846114826 1137333798 /nfs/dbraw/zinc/33/37/98/1137333798.db2.gz FRDKXRHUCGAVPT-DHZHZOJOSA-N -1 0 331.412 3.924 20 0 EHADRM O=C(Nc1ccc(C2CC2)cc1)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000772933153 1137343093 /nfs/dbraw/zinc/34/30/93/1137343093.db2.gz NLEKUVNNFOYWQU-UHFFFAOYSA-N -1 0 337.404 3.754 20 0 EHADRM CC(C)[N@H+](CCOc1ccc(/C=C/C(=O)[O-])cc1)Cc1ccco1 ZINC000846239522 1137343109 /nfs/dbraw/zinc/34/31/09/1137343109.db2.gz QTHRIPZUGDCVCY-JXMROGBWSA-N -1 0 329.396 3.667 20 0 EHADRM C[C@@H](N(C)C(=O)c1cc(Br)cc(F)c1[O-])C1(C)CC1 ZINC000866438079 1137354925 /nfs/dbraw/zinc/35/49/25/1137354925.db2.gz BAOLJIQREPJLJE-MRVPVSSYSA-N -1 0 330.197 3.554 20 0 EHADRM O=C([N-]OCCC(F)(F)F)/C(=C/c1ccccc1)C(F)(F)F ZINC000867550633 1137381546 /nfs/dbraw/zinc/38/15/46/1137381546.db2.gz PKSRMUUXHHYUKN-NTMALXAHSA-N -1 0 327.224 3.633 20 0 EHADRM O=C([O-])c1cc(Br)ccc1N[C@@H]1COCc2ccccc21 ZINC001171292314 1137397065 /nfs/dbraw/zinc/39/70/65/1137397065.db2.gz RADQDHCYOOILHF-OAHLLOKOSA-N -1 0 348.196 3.831 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2C[C@H](C)CCC[C@@H]2C)n1 ZINC001147052747 1137399256 /nfs/dbraw/zinc/39/92/56/1137399256.db2.gz ZVDLOFCQQXLGPG-CABCVRRESA-N -1 0 341.455 3.791 20 0 EHADRM O=C([N-]c1noc2nccnc12)c1sc2cc(F)ccc2c1Cl ZINC001147979455 1137415727 /nfs/dbraw/zinc/41/57/27/1137415727.db2.gz BUFVCBLJJIXPRH-UHFFFAOYSA-N -1 0 348.746 3.877 20 0 EHADRM CC1(c2nsc(NC(=O)c3cccc(C(F)(F)F)c3[O-])n2)CC1 ZINC001148113059 1137418014 /nfs/dbraw/zinc/41/80/14/1137418014.db2.gz VAMIEPWHAWCGSF-UHFFFAOYSA-N -1 0 343.330 3.566 20 0 EHADRM Cc1c(F)c(C)c(F)c(C(=O)[N-]c2nnc(C(C)(C)C)o2)c1F ZINC001148752432 1137434042 /nfs/dbraw/zinc/43/40/42/1137434042.db2.gz PZFDRHXTNBHBGE-UHFFFAOYSA-N -1 0 327.306 3.654 20 0 EHADRM O=C(Nc1nnc(-c2ccco2)o1)c1cc(Cl)cc(Cl)c1[O-] ZINC001148805175 1137435424 /nfs/dbraw/zinc/43/54/24/1137435424.db2.gz FMPXUDVYDWQEQW-UHFFFAOYSA-N -1 0 340.122 3.594 20 0 EHADRM CC[C@H](CNC(=O)c1ccc(Cl)c([O-])c1)Oc1ccccc1F ZINC001149010903 1137438750 /nfs/dbraw/zinc/43/87/50/1137438750.db2.gz IFPLKIYLHUSUEW-GFCCVEGCSA-N -1 0 337.778 3.772 20 0 EHADRM Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2n[n-]c3ccccc3c2=O)c1 ZINC000122624982 1137455124 /nfs/dbraw/zinc/45/51/24/1137455124.db2.gz GSOQOVZWDXZOAS-SFHVURJKSA-N -1 0 347.418 3.517 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(COc3ccccc3)c2)o1 ZINC000773231035 1137480441 /nfs/dbraw/zinc/48/04/41/1137480441.db2.gz GIMXNDRRITUDFU-UHFFFAOYSA-N -1 0 343.404 3.968 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000208612965 1137516404 /nfs/dbraw/zinc/51/64/04/1137516404.db2.gz OWRMSWXNLNSLGQ-TWGQIWQCSA-N -1 0 346.180 3.799 20 0 EHADRM O=C(c1cccc(Nc2cc3ccc([O-])cc3oc2=O)c1)C(F)(F)F ZINC001203337897 1137524399 /nfs/dbraw/zinc/52/43/99/1137524399.db2.gz AZYAUBZWVGBMQZ-UHFFFAOYSA-N -1 0 349.264 3.987 20 0 EHADRM CC1(C)C[C@@H](C(=O)[N-]OCCCC(F)(F)F)c2ccccc2O1 ZINC000871217209 1137528067 /nfs/dbraw/zinc/52/80/67/1137528067.db2.gz NYQPNKLAQCBWRV-GFCCVEGCSA-N -1 0 331.334 3.722 20 0 EHADRM O=c1c(F)c(C(F)(F)F)[n-]n1Cc1cc(Cl)ccc1Cl ZINC000871959259 1137563711 /nfs/dbraw/zinc/56/37/11/1137563711.db2.gz LLNDGHAHJYOTEN-MRVPVSSYSA-N -1 0 329.080 3.592 20 0 EHADRM CSc1nc(Cl)cc(-n2[n-]c3c(c2=O)C[C@H](C(C)C)CC3)n1 ZINC000871957574 1137563766 /nfs/dbraw/zinc/56/37/66/1137563766.db2.gz XFMYFRUMOCRPPC-NXEZZACHSA-N -1 0 338.864 3.627 20 0 EHADRM Cc1nc([N-]S(=O)(=O)c2ccc(F)c(C(F)F)c2)sc1C ZINC000872002298 1137564288 /nfs/dbraw/zinc/56/42/88/1137564288.db2.gz JVZZOEUVFVFCKX-UHFFFAOYSA-N -1 0 336.360 3.637 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccccc2Cl)noc1C(C)(C)C ZINC000872007032 1137564350 /nfs/dbraw/zinc/56/43/50/1137564350.db2.gz HILDOIHOPMPHMZ-UHFFFAOYSA-N -1 0 328.821 3.735 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cnccc2C(F)(F)F)sc1C ZINC000872011073 1137564533 /nfs/dbraw/zinc/56/45/33/1137564533.db2.gz VKFCVPPCUQDDJT-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM Cc1ccccc1[C@H]1CN(Cc2cc(C(=O)[O-])cs2)[C@@H](C)CO1 ZINC000872159004 1137574622 /nfs/dbraw/zinc/57/46/22/1137574622.db2.gz KQOAUUWRYIJXBX-SUMWQHHRSA-N -1 0 331.437 3.717 20 0 EHADRM CCc1onc(C)c1[N-]S(=O)(=O)c1ccc(C(C)(C)C)c(F)c1 ZINC000872359420 1137578947 /nfs/dbraw/zinc/57/89/47/1137578947.db2.gz DFPMDGSWKAYESE-UHFFFAOYSA-N -1 0 340.420 3.783 20 0 EHADRM CCn1ncc([N-]S(=O)(=O)c2cc3cccc(C)c3s2)c1C ZINC000872421481 1137579937 /nfs/dbraw/zinc/57/99/37/1137579937.db2.gz LYQCMDJWZZZTCQ-UHFFFAOYSA-N -1 0 335.454 3.535 20 0 EHADRM Cc1cc(-c2csc(NC(=O)c3ncccc3[O-])n2)c(F)cc1F ZINC001137061792 1137581768 /nfs/dbraw/zinc/58/17/68/1137581768.db2.gz LRSNLWPZHPVZFT-UHFFFAOYSA-N -1 0 347.346 3.750 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1sccc1C(F)F ZINC000872695639 1137582879 /nfs/dbraw/zinc/58/28/79/1137582879.db2.gz IKWWESZLHHHBAC-MIMYLULJSA-N -1 0 329.368 3.544 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)c1ccccc1 ZINC000872703513 1137582936 /nfs/dbraw/zinc/58/29/36/1137582936.db2.gz WWLCOCDBMFVRJN-BBWFWOEESA-N -1 0 347.455 3.550 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1sccc1C(F)F ZINC000872728715 1137583315 /nfs/dbraw/zinc/58/33/15/1137583315.db2.gz WRWOVKANJHUOFT-SNVBAGLBSA-N -1 0 339.363 3.801 20 0 EHADRM CC1(C)[C@H](c2cccc(Cl)c2)CCN1C(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000872761680 1137584014 /nfs/dbraw/zinc/58/40/14/1137584014.db2.gz VCAWAQOJRMEADR-ILXRZTDVSA-N -1 0 335.831 3.545 20 0 EHADRM Cc1cc2c(CC(=O)N3CC[C@]4(C(=O)[O-])CCC[C@H]34)csc2s1 ZINC000872764689 1137584027 /nfs/dbraw/zinc/58/40/27/1137584027.db2.gz BNIQWXIQGMPKAM-SUMWQHHRSA-N -1 0 349.477 3.670 20 0 EHADRM CCOc1ccc(NC(=O)c2oc(C(F)F)cc2C)c(C(=O)[O-])c1 ZINC000872760659 1137584039 /nfs/dbraw/zinc/58/40/39/1137584039.db2.gz LFZINHZBDSTRBE-UHFFFAOYSA-N -1 0 339.294 3.875 20 0 EHADRM Cc1cc(C)c(NC(=O)C[C@@]2(C(=O)[O-])CCc3ccccc32)c(C)c1 ZINC000872833860 1137585262 /nfs/dbraw/zinc/58/52/62/1137585262.db2.gz XAWNFDNJMFTPBX-NRFANRHFSA-N -1 0 337.419 3.909 20 0 EHADRM C[C@H](NC(=O)C(C)(C)CCC(=O)[O-])c1ccccc1C(F)(F)F ZINC000872839137 1137585315 /nfs/dbraw/zinc/58/53/15/1137585315.db2.gz NOUUEIMOLSSAAL-JTQLQIEISA-N -1 0 331.334 3.774 20 0 EHADRM CSc1cc(NC(=O)C(C)(C)SCC(=O)[O-])ccc1Cl ZINC000872873535 1137585889 /nfs/dbraw/zinc/58/58/89/1137585889.db2.gz GPAPRUDQXQNLSD-UHFFFAOYSA-N -1 0 333.862 3.597 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])C(=O)Nc1ccc2cc(OC)c(OC)cc2c1 ZINC000872883194 1137586021 /nfs/dbraw/zinc/58/60/21/1137586021.db2.gz LQBJUVRQSNTOHY-IBGZPJMESA-N -1 0 345.395 3.687 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)N1CCCc2cc(F)ccc21)c1ccsc1 ZINC000872894677 1137586201 /nfs/dbraw/zinc/58/62/01/1137586201.db2.gz BKCSWAMOSOALLH-GOSISDBHSA-N -1 0 347.411 3.599 20 0 EHADRM O=C([O-])C1(CC(=O)N2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)CCCCC1 ZINC000872988850 1137587557 /nfs/dbraw/zinc/58/75/57/1137587557.db2.gz GIOOIMZTJJOXGG-OKZBNKHCSA-N -1 0 341.451 3.674 20 0 EHADRM CCC(CC)(CNC(=O)C[C@@H](C(=O)[O-])c1ccccc1)C(F)(F)F ZINC000872996139 1137587623 /nfs/dbraw/zinc/58/76/23/1137587623.db2.gz QCLGTJDQNKERBC-CYBMUJFWSA-N -1 0 345.361 3.730 20 0 EHADRM O=C([O-])[C@@H](CC(=O)Nc1ccc(C2CC2)cc1F)c1ccccc1 ZINC000872998524 1137587698 /nfs/dbraw/zinc/58/76/98/1137587698.db2.gz MEWCIMCOBIVEFX-HNNXBMFYSA-N -1 0 327.355 3.900 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(c2ccnc3ncccc23)CC1 ZINC000873061463 1137589195 /nfs/dbraw/zinc/58/91/95/1137589195.db2.gz REFODLNAFPAIRH-UHFFFAOYSA-N -1 0 333.391 3.712 20 0 EHADRM C[C@]1(C(F)(F)F)CCN(C(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000874480632 1137615276 /nfs/dbraw/zinc/61/52/76/1137615276.db2.gz GYITWLWSPHZGJE-LBPRGKRZSA-N -1 0 325.689 3.599 20 0 EHADRM CCCC1CCN(C(=O)c2nn(-c3cc(C)ccc3F)cc2[O-])CC1 ZINC001137117294 1137673710 /nfs/dbraw/zinc/67/37/10/1137673710.db2.gz JJBBLBVIMMNWKD-UHFFFAOYSA-N -1 0 345.418 3.678 20 0 EHADRM CCCc1cc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)n[nH]1 ZINC000126443040 1137673979 /nfs/dbraw/zinc/67/39/79/1137673979.db2.gz GONKTKNHWTZLFG-UHFFFAOYSA-N -1 0 340.257 3.531 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc2ccsc2[nH]1 ZINC000023345589 1137748762 /nfs/dbraw/zinc/74/87/62/1137748762.db2.gz IWDDPQPWFKFVFD-UHFFFAOYSA-N -1 0 348.811 3.987 20 0 EHADRM O=S(=O)(CCc1ccc(Cl)cc1)[N-]c1ncsc1C1CC1 ZINC000882772973 1137833867 /nfs/dbraw/zinc/83/38/67/1137833867.db2.gz UDDQGUSMPQVBSQ-UHFFFAOYSA-N -1 0 342.873 3.658 20 0 EHADRM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ncsc2C2CC2)cc1 ZINC000882772119 1137833902 /nfs/dbraw/zinc/83/39/02/1137833902.db2.gz HMIIDQSFCZJDOS-UHFFFAOYSA-N -1 0 338.454 3.609 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)c(F)c2)o1 ZINC000882797577 1137834552 /nfs/dbraw/zinc/83/45/52/1137834552.db2.gz FORRRMAOHGKPFA-UHFFFAOYSA-N -1 0 338.404 3.518 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCCC[C@@H](C2CCOCC2)C1 ZINC000882913912 1137838315 /nfs/dbraw/zinc/83/83/15/1137838315.db2.gz DWAKMMCPNISNHA-CQSZACIVSA-N -1 0 337.847 3.715 20 0 EHADRM O=S(=O)(/C=C\c1ccccc1F)[N-]CC(F)(F)c1ccccc1 ZINC000800124861 1137898596 /nfs/dbraw/zinc/89/85/96/1137898596.db2.gz SOKLYKYOOWYJCP-KHPPLWFESA-N -1 0 341.354 3.508 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)N2CCC(c3ccccc3)CC2)s[n-]1 ZINC000332116754 1137932322 /nfs/dbraw/zinc/93/23/22/1137932322.db2.gz HOQMAONZIPEIEX-UHFFFAOYSA-N -1 0 344.484 3.669 20 0 EHADRM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C ZINC000332126164 1137932563 /nfs/dbraw/zinc/93/25/63/1137932563.db2.gz CZOCLVDLPMPONV-SNVBAGLBSA-N -1 0 339.848 3.543 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000332148577 1137933485 /nfs/dbraw/zinc/93/34/85/1137933485.db2.gz PNKYRNGJFOHBOT-TZMCWYRMSA-N -1 0 344.484 3.667 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccnn2[C@@H](C)C2CC2)c1 ZINC000120448697 1137949882 /nfs/dbraw/zinc/94/98/82/1137949882.db2.gz UKCPJLIVPNAGPF-NSHDSACASA-N -1 0 339.848 3.617 20 0 EHADRM CCCCCC(C)(C)C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000084522597 1138180921 /nfs/dbraw/zinc/18/09/21/1138180921.db2.gz NYKJBTSJYPJABW-UHFFFAOYSA-N -1 0 335.473 3.550 20 0 EHADRM O=C(NC1CCC(c2ccccc2)CC1)c1s[n-]c(=O)c1Cl ZINC000282976197 1138244214 /nfs/dbraw/zinc/24/42/14/1138244214.db2.gz MYBJERGXIWBOCC-UHFFFAOYSA-N -1 0 336.844 3.958 20 0 EHADRM CC(C)(NC(=O)[C@H]1CCC[C@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000887315329 1138262583 /nfs/dbraw/zinc/26/25/83/1138262583.db2.gz RAAKHMGFYFAOHA-QWHCGFSZSA-N -1 0 343.345 3.558 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])C(=O)Nc1ccc(N2CCCCC2)c(F)c1 ZINC000887317597 1138263780 /nfs/dbraw/zinc/26/37/80/1138263780.db2.gz NIDDVFLGODQAKU-SFHVURJKSA-N -1 0 336.407 3.646 20 0 EHADRM CC(C)CNC(=O)c1cccc(Nc2cc(F)c(C(=O)[O-])c(F)c2)c1 ZINC001203329622 1138275189 /nfs/dbraw/zinc/27/51/89/1138275189.db2.gz GJDZDOZMEDVDGA-UHFFFAOYSA-N -1 0 348.349 3.792 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)N1CCC[C@@H]1c1ccccc1Cl ZINC000333530262 1138301065 /nfs/dbraw/zinc/30/10/65/1138301065.db2.gz ITVUVCXAUZSSOX-MRXNPFEDSA-N -1 0 342.830 3.798 20 0 EHADRM CC1(C)CC[C@H](CCNC(=O)c2cc(F)c([O-])c(Cl)c2)OC1 ZINC000887415945 1138315024 /nfs/dbraw/zinc/31/50/24/1138315024.db2.gz ATRAWOIBGBFLFI-LLVKDONJSA-N -1 0 329.799 3.510 20 0 EHADRM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3nc(C)c(C)o3)c2)n1 ZINC000337143057 1138478146 /nfs/dbraw/zinc/47/81/46/1138478146.db2.gz USZNIYXDCBSEDR-UHFFFAOYSA-N -1 0 349.437 3.524 20 0 EHADRM Cc1n[nH]c(C)c1[C@@H](C)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000133495950 1138641828 /nfs/dbraw/zinc/64/18/28/1138641828.db2.gz ADWZYKQUSNXYJV-ZCFIWIBFSA-N -1 0 328.199 3.781 20 0 EHADRM CCc1onc(C)c1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000134761865 1138704063 /nfs/dbraw/zinc/70/40/63/1138704063.db2.gz WSDBYDHPXZNITM-UHFFFAOYSA-N -1 0 335.212 3.653 20 0 EHADRM CCCn1ccc2cc([N-]S(=O)(=O)c3cn(C(C)C)cn3)ccc21 ZINC000338205486 1138786955 /nfs/dbraw/zinc/78/69/55/1138786955.db2.gz NCXHMYHREHLWDQ-UHFFFAOYSA-N -1 0 346.456 3.630 20 0 EHADRM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000348472867 1138805753 /nfs/dbraw/zinc/80/57/53/1138805753.db2.gz HNBAXDBFEMGAQN-UHFFFAOYSA-N -1 0 341.310 3.959 20 0 EHADRM Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2sc(C)nc2C)s1 ZINC000177879896 1139650387 /nfs/dbraw/zinc/65/03/87/1139650387.db2.gz DSXAZNIEJLUTTH-UHFFFAOYSA-N -1 0 345.515 3.524 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N2CC[C@@H](CSc3ccccc3)C2)C1 ZINC000180026123 1139801712 /nfs/dbraw/zinc/80/17/12/1139801712.db2.gz LOIJUUXDGQITOU-PMPSAXMXSA-N -1 0 347.480 3.518 20 0 EHADRM Cn1cccc1[C@H]1CCCCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000180110687 1139810278 /nfs/dbraw/zinc/81/02/78/1139810278.db2.gz UYRYSZBPPSGPSX-CYBMUJFWSA-N -1 0 338.329 3.515 20 0 EHADRM CCCCc1ccc(N(C)C(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC000777362707 1139866556 /nfs/dbraw/zinc/86/65/56/1139866556.db2.gz IVTJEAYOJHNJML-UHFFFAOYSA-N -1 0 325.408 3.933 20 0 EHADRM CCO[C@H](CCNC(=O)c1cc(F)c(F)c([O-])c1F)C1CCCC1 ZINC000183007951 1140007358 /nfs/dbraw/zinc/00/73/58/1140007358.db2.gz DEPFUXBWNSZUPB-CYBMUJFWSA-N -1 0 345.361 3.525 20 0 EHADRM CCC(CC)[C@@H]1C[C@H](NC(=O)c2cc(F)c(F)c([O-])c2F)CCO1 ZINC000184483054 1140105074 /nfs/dbraw/zinc/10/50/74/1140105074.db2.gz AHOZXHDHFWMACF-MFKMUULPSA-N -1 0 345.361 3.523 20 0 EHADRM O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)c1cc(F)c([O-])c(F)c1 ZINC000186697861 1140217660 /nfs/dbraw/zinc/21/76/60/1140217660.db2.gz UVNHZTPTUBSOCY-FZKQIMNGSA-N -1 0 347.361 3.568 20 0 EHADRM CC[C@]1(CO)CCCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C1 ZINC000187052613 1140235703 /nfs/dbraw/zinc/23/57/03/1140235703.db2.gz RAVNHZITSMJKIH-IBGZPJMESA-N -1 0 347.842 3.824 20 0 EHADRM CCC(CC)n1ncc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c1C ZINC000190920725 1140425303 /nfs/dbraw/zinc/42/53/03/1140425303.db2.gz HBCBIQOBAOHTFZ-UHFFFAOYSA-N -1 0 343.427 3.523 20 0 EHADRM Cc1nn(C)c(C)c1CCC(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000271255895 1141335519 /nfs/dbraw/zinc/33/55/19/1141335519.db2.gz FULMMRGNCPMVMD-UHFFFAOYSA-N -1 0 342.226 3.621 20 0 EHADRM O=C(Nc1ccccc1-c1ccccc1)c1ccc2[nH]c(=O)nc-2[n-]1 ZINC000339231436 1141535978 /nfs/dbraw/zinc/53/59/78/1141535978.db2.gz KIDLXYJEAJLJCJ-UHFFFAOYSA-N -1 0 330.347 3.583 20 0 EHADRM O=C(NCC1(c2ccc(Cl)cc2)CC1)c1s[n-]c(=O)c1Cl ZINC000283110956 1141555602 /nfs/dbraw/zinc/55/56/02/1141555602.db2.gz PYECKLAOOYFRRZ-UHFFFAOYSA-N -1 0 343.235 3.617 20 0 EHADRM Cc1cnn(C)c1/C=C(/CCC(=O)[O-])c1nc2ccccc2s1 ZINC000349108488 1141640620 /nfs/dbraw/zinc/64/06/20/1141640620.db2.gz LGQPQDMXLPMBPZ-XFXZXTDPSA-N -1 0 327.409 3.744 20 0 EHADRM CCC(=O)Nc1ccc(C)c(NC(=O)c2c([O-])cc(F)cc2F)c1 ZINC000066046495 215004935 /nfs/dbraw/zinc/00/49/35/215004935.db2.gz YNRJQGQXRQPEGF-UHFFFAOYSA-N -1 0 334.322 3.580 20 0 EHADRM Cc1cc(NC(=O)c2sccc2Br)ccc1C(=O)[O-] ZINC000104284413 219369806 /nfs/dbraw/zinc/36/98/06/219369806.db2.gz OVAPSUASPNYCCO-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM O=C([O-])c1ccc(-n2cc(-c3ccc(C(F)(F)F)cc3)nn2)cc1 ZINC000040860004 213393586 /nfs/dbraw/zinc/39/35/86/213393586.db2.gz MWSMEFTTXKMGKI-UHFFFAOYSA-N -1 0 333.269 3.651 20 0 EHADRM Cc1cc(NC(=O)c2cccc(Br)c2)sc1C(=O)[O-] ZINC000019425626 212027217 /nfs/dbraw/zinc/02/72/17/212027217.db2.gz IEJRHVNJVVJQCC-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM CC(C)[C@@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000010827994 211191810 /nfs/dbraw/zinc/19/18/10/211191810.db2.gz MEHLKVRXOKTCJQ-OWCLPIDISA-N -1 0 335.831 3.820 20 0 EHADRM C[C@@H](Sc1c2ccccc2nnc1-c1nnn[n-]1)c1cccs1 ZINC000736193437 598970412 /nfs/dbraw/zinc/97/04/12/598970412.db2.gz RBHMMVFDXAZSNO-SECBINFHSA-N -1 0 340.437 3.725 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cccc(Br)c1C ZINC000262162788 601309504 /nfs/dbraw/zinc/30/95/04/601309504.db2.gz VMIDCYUGMGCGMW-UHFFFAOYSA-N -1 0 342.233 3.521 20 0 EHADRM C[C@H](OC(=O)CCSCC(=O)[O-])c1ccccc1C(F)(F)F ZINC000736690836 599800185 /nfs/dbraw/zinc/80/01/85/599800185.db2.gz DEBTZYCWSVAMBQ-VIFPVBQESA-N -1 0 336.331 3.518 20 0 EHADRM CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCC(C(=O)[O-])CC1 ZINC000262688884 596924711 /nfs/dbraw/zinc/92/47/11/596924711.db2.gz YVHRPBLDBONGNV-UHFFFAOYSA-N -1 0 346.471 3.669 20 0 EHADRM Cc1ccccc1[C@H](OC(=O)CSCC(=O)[O-])c1cccs1 ZINC000740187479 597106849 /nfs/dbraw/zinc/10/68/49/597106849.db2.gz PWFCFFMEAWFMDW-INIZCTEOSA-N -1 0 336.434 3.507 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000567336657 597122029 /nfs/dbraw/zinc/12/20/29/597122029.db2.gz RMXLYNQZXYBXON-CYBMUJFWSA-N -1 0 346.427 3.634 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000263491393 597139795 /nfs/dbraw/zinc/13/97/95/597139795.db2.gz OWHYBUPIOPPLHD-UHFFFAOYSA-N -1 0 336.285 3.609 20 0 EHADRM CC(C)Oc1ccc(NC(=O)NCc2ccc(C(=O)[O-])cc2)c(F)c1 ZINC000817921767 597175987 /nfs/dbraw/zinc/17/59/87/597175987.db2.gz LKXYDUBUBZUYJZ-UHFFFAOYSA-N -1 0 346.358 3.633 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000738623604 597194383 /nfs/dbraw/zinc/19/43/83/597194383.db2.gz IPDVXDDHTMNPSS-IBGZPJMESA-N -1 0 328.412 3.668 20 0 EHADRM C[C@H](c1ccccc1F)N(C)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000325796193 597202245 /nfs/dbraw/zinc/20/22/45/597202245.db2.gz WZKUXGJAUQZFAZ-GFCCVEGCSA-N -1 0 330.359 3.678 20 0 EHADRM O=C([O-])Cc1cccc(NCc2ccc(Oc3cnccn3)cc2)c1 ZINC000819579965 597210382 /nfs/dbraw/zinc/21/03/82/597210382.db2.gz UHXGBZXKMYJMSF-UHFFFAOYSA-N -1 0 335.363 3.508 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)Nc2cc(C(F)F)ccc2Cl)C1 ZINC000574861644 597264622 /nfs/dbraw/zinc/26/46/22/597264622.db2.gz RMFUADDUNBBDPH-VIFPVBQESA-N -1 0 346.761 3.996 20 0 EHADRM O=C([O-])c1ccc(C[S@](=O)Cc2ccc(F)cc2Cl)cc1 ZINC000819687710 597285342 /nfs/dbraw/zinc/28/53/42/597285342.db2.gz XCLCZDHLMOEZPI-NRFANRHFSA-N -1 0 326.776 3.626 20 0 EHADRM COc1ccc([C@H](C)N(C)C(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000818582720 597324887 /nfs/dbraw/zinc/32/48/87/597324887.db2.gz AUAYYBQILWFSBY-ZDUSSCGKSA-N -1 0 342.395 3.547 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)NCCc1ccc2ccccc2c1 ZINC000819618280 597332211 /nfs/dbraw/zinc/33/22/11/597332211.db2.gz SECWLTPGYSRLTC-UHFFFAOYSA-N -1 0 348.402 3.831 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2CC(=O)[O-])cc1C ZINC000818879046 597337072 /nfs/dbraw/zinc/33/70/72/597337072.db2.gz JPPYGXHBQJSOPT-CQSZACIVSA-N -1 0 326.396 3.813 20 0 EHADRM CCN(C(=O)Nc1ccccc1CC(=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000818190148 597338098 /nfs/dbraw/zinc/33/80/98/597338098.db2.gz DALHLSYREMDSFN-CYBMUJFWSA-N -1 0 342.395 3.634 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N[C@@H](CC1CC1)c1ccccc1 ZINC000819611035 597339423 /nfs/dbraw/zinc/33/94/23/597339423.db2.gz WVZBGYLEXBPYAK-SFHVURJKSA-N -1 0 338.407 3.977 20 0 EHADRM Cc1ccc(C(=O)Nc2ccccc2CC(=O)[O-])c(Br)c1 ZINC000160971811 597389975 /nfs/dbraw/zinc/38/99/75/597389975.db2.gz BLQMBYQRZUDWLN-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM C[C@@H](C(=O)[O-])N(C)C(=O)c1ccccc1SCc1cccs1 ZINC000262846918 597463255 /nfs/dbraw/zinc/46/32/55/597463255.db2.gz FHTHBHMONFOKPO-NSHDSACASA-N -1 0 335.450 3.586 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)c2ccc(CSc3ccccc3)cc2)C1 ZINC000238098858 597495696 /nfs/dbraw/zinc/49/56/96/597495696.db2.gz IWWHPUZNPJPBPZ-INIZCTEOSA-N -1 0 341.432 3.526 20 0 EHADRM O=C([O-])C1CCC(Nc2ccc(OCC3CCOCC3)cc2)CC1 ZINC000821508720 598107461 /nfs/dbraw/zinc/10/74/61/598107461.db2.gz FKSVOOGHVQQNJJ-UHFFFAOYSA-N -1 0 333.428 3.547 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)c1 ZINC000238063052 598134850 /nfs/dbraw/zinc/13/48/50/598134850.db2.gz GLHURXYKHCEITC-UHFFFAOYSA-N -1 0 346.386 3.796 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N[C@@H](c1ccccc1)c1ccccn1 ZINC000821474841 598178582 /nfs/dbraw/zinc/17/85/82/598178582.db2.gz NLTHHRGHTPDCQV-SFHVURJKSA-N -1 0 347.374 3.691 20 0 EHADRM CC(=O)N(Cc1ccc(NCc2cccc(C(=O)[O-])c2)cc1)C(C)C ZINC000263479931 598204924 /nfs/dbraw/zinc/20/49/24/598204924.db2.gz NQPDACNXNABUQE-UHFFFAOYSA-N -1 0 340.423 3.754 20 0 EHADRM O=C([O-])c1cccc(CN[C@H](c2cccc(F)c2)c2ccccn2)c1 ZINC000821551662 598205407 /nfs/dbraw/zinc/20/54/07/598205407.db2.gz RDQTUIHGFSYASM-LJQANCHMSA-N -1 0 336.366 3.798 20 0 EHADRM O=C([O-])[C@@H](NCc1cnc(-c2cccs2)s1)c1ccccc1 ZINC000426774029 598219705 /nfs/dbraw/zinc/21/97/05/598219705.db2.gz SIGFTXSAZYJGPE-AWEZNQCLSA-N -1 0 330.434 3.787 20 0 EHADRM Cc1cc(C(=O)Nc2ccccc2C(=O)[O-])cc(C)c1OC(F)F ZINC000681680979 599704670 /nfs/dbraw/zinc/70/46/70/599704670.db2.gz CEXOODGKBFRETG-UHFFFAOYSA-N -1 0 335.306 3.855 20 0 EHADRM O=C([O-])NCCC(=O)Nc1ccccc1SCc1ccccc1 ZINC000739947241 599711695 /nfs/dbraw/zinc/71/16/95/599711695.db2.gz SWNDWPVIJSLQTQ-UHFFFAOYSA-N -1 0 330.409 3.575 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(F)c(NC(=O)[O-])c1)c1ccc(F)cc1 ZINC000736598950 599712792 /nfs/dbraw/zinc/71/27/92/599712792.db2.gz ROVYEUHINYWWNM-SNVBAGLBSA-N -1 0 349.337 3.980 20 0 EHADRM COc1ccc(C)cc1CNC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000737972063 599716965 /nfs/dbraw/zinc/71/69/65/599716965.db2.gz ILVDGJFNHPCYPO-UHFFFAOYSA-N -1 0 347.346 3.554 20 0 EHADRM CSCc1ccc(NC(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000738145728 599719572 /nfs/dbraw/zinc/71/95/72/599719572.db2.gz DMFVWHCTUCGGRH-MRXNPFEDSA-N -1 0 344.436 3.887 20 0 EHADRM CCC[C@](C)(NC(=O)/C=C/c1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000736954495 599733026 /nfs/dbraw/zinc/73/30/26/599733026.db2.gz LQGDISXYJFBQRH-SGWGQVFISA-N -1 0 345.439 3.781 20 0 EHADRM O=C([O-])C1CCC(NC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)CC1 ZINC000238074524 599733127 /nfs/dbraw/zinc/73/31/27/599733127.db2.gz XBSRDGHQMHXXCG-QIRNKGDASA-N -1 0 337.419 3.703 20 0 EHADRM CC/C=C(\C)C(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC000736949461 599739271 /nfs/dbraw/zinc/73/92/71/599739271.db2.gz SBPFGFYBEKUGAH-YRNVUSSQSA-N -1 0 330.409 3.732 20 0 EHADRM CCC[C@@](C)(NC(=O)CCc1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000236950217 599739812 /nfs/dbraw/zinc/73/98/12/599739812.db2.gz YHQZCJFHOALJMN-HXUWFJFHSA-N -1 0 347.455 3.700 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000737255947 599746497 /nfs/dbraw/zinc/74/64/97/599746497.db2.gz DOYRMORNVRVOMN-DIFFPNOSSA-N -1 0 347.361 3.573 20 0 EHADRM O=C([O-])CSCCC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000739847632 599759263 /nfs/dbraw/zinc/75/92/63/599759263.db2.gz YSHTWXRIBFPQLN-MRXNPFEDSA-N -1 0 341.860 3.505 20 0 EHADRM COc1ccc([C@@H](NC(=O)C[C@H](C)C2CCCCC2)C(=O)[O-])cc1 ZINC000561733813 599763481 /nfs/dbraw/zinc/76/34/81/599763481.db2.gz HAZIJPQZPVSWPP-SCLBCKFNSA-N -1 0 333.428 3.544 20 0 EHADRM O=C([O-])C1(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CCCC1 ZINC000237953578 599763518 /nfs/dbraw/zinc/76/35/18/599763518.db2.gz IFVKRQLSIPVJMC-QWRGUYRKSA-N -1 0 342.222 3.611 20 0 EHADRM O=C([O-])c1ccc(CNc2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000740135170 599763657 /nfs/dbraw/zinc/76/36/57/599763657.db2.gz YZCJMVKZPWVZTO-UHFFFAOYSA-N -1 0 329.743 3.700 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC(c3ccc(F)c(F)c3)CC2)cc1 ZINC000268881620 599765660 /nfs/dbraw/zinc/76/56/60/599765660.db2.gz DNPQNUKNKRZCON-UHFFFAOYSA-N -1 0 345.345 3.683 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000238034166 599765837 /nfs/dbraw/zinc/76/58/37/599765837.db2.gz GHPMMKFOMRMOQC-GYSYKLTISA-N -1 0 342.222 3.563 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)COc2cccc3ccccc32)cc1 ZINC000181869512 599765991 /nfs/dbraw/zinc/76/59/91/599765991.db2.gz CWUZPUVQUUWWFH-UHFFFAOYSA-N -1 0 349.386 3.875 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)/C=C\Sc2ccccc2)cc1 ZINC000739755973 599768559 /nfs/dbraw/zinc/76/85/59/599768559.db2.gz HSUCOGVMNJXJEK-SEYXRHQNSA-N -1 0 327.405 3.948 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2cccc(C(=O)[O-])c2)cc1C ZINC000170569486 599769096 /nfs/dbraw/zinc/76/90/96/599769096.db2.gz OLKPDXSASRBTSQ-UHFFFAOYSA-N -1 0 325.364 3.603 20 0 EHADRM Cc1ccc2nc(-c3ccccc3)cc(C(=O)NC[C@H](C)C(=O)[O-])c2c1 ZINC000738674819 599780985 /nfs/dbraw/zinc/78/09/85/599780985.db2.gz BITZSWNHJVKYPH-AWEZNQCLSA-N -1 0 348.402 3.661 20 0 EHADRM CCCC[C@@H]1CCC[C@@H]1NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000736986417 599781630 /nfs/dbraw/zinc/78/16/30/599781630.db2.gz WNVKQFAWKOFVBP-WBVHZDCISA-N -1 0 332.444 3.885 20 0 EHADRM CCCC[C@@H]1CCC[C@H]1NC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000736986682 599781763 /nfs/dbraw/zinc/78/17/63/599781763.db2.gz YQLIJPVNBRFCJG-CZUORRHYSA-N -1 0 336.432 3.787 20 0 EHADRM Cc1cc(COC(=O)c2sc(CC(C)C)nc2C)oc1C(=O)[O-] ZINC000738395773 599787035 /nfs/dbraw/zinc/78/70/35/599787035.db2.gz WZTZGQWQTYAHCR-UHFFFAOYSA-N -1 0 337.397 3.607 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)N[C@H](CC2CCCCC2)c2ccccc2)C1 ZINC000739592618 599796103 /nfs/dbraw/zinc/79/61/03/599796103.db2.gz HPAYYIRVYGCMES-ZWKOTPCHSA-N -1 0 344.455 3.814 20 0 EHADRM O=C([O-])[C@@H](c1ccc(F)cc1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000739514694 599796153 /nfs/dbraw/zinc/79/61/53/599796153.db2.gz FSYDKYCLXDEEGW-GOSISDBHSA-N -1 0 342.345 3.630 20 0 EHADRM C[C@@H](NC(=O)c1ccc(NC(=O)[O-])cc1)C(C)(C)c1ccccc1 ZINC000736655069 599798243 /nfs/dbraw/zinc/79/82/43/599798243.db2.gz ACILMGWNJMCKMV-CYBMUJFWSA-N -1 0 326.396 3.873 20 0 EHADRM O=C([O-])CSCCC(=O)OC1c2ccccc2-c2ccccc21 ZINC000739854217 599799734 /nfs/dbraw/zinc/79/97/34/599799734.db2.gz VFRWFWBIUXTYOZ-UHFFFAOYSA-N -1 0 328.389 3.508 20 0 EHADRM Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)CCC(=O)[O-] ZINC000179078608 599800215 /nfs/dbraw/zinc/80/02/15/599800215.db2.gz SCQCOQDYABPIMK-AWEZNQCLSA-N -1 0 327.380 3.938 20 0 EHADRM O=C([O-])c1ccc2c(=O)[nH]c(C=Cc3ccc(Cl)s3)nc2c1 ZINC000740190753 599801606 /nfs/dbraw/zinc/80/16/06/599801606.db2.gz QSPKNBKOXVKTCJ-ZZXKWVIFSA-N -1 0 332.768 3.919 20 0 EHADRM Cc1nc(-c2ccc3ccccc3c2)n(Cc2occc2C(=O)[O-])n1 ZINC000738828745 599809699 /nfs/dbraw/zinc/80/96/99/599809699.db2.gz CJNAOHONVGDPFC-UHFFFAOYSA-N -1 0 333.347 3.746 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)C[C@@H]2CCCc3ccccc32)cc1 ZINC000238082993 599811679 /nfs/dbraw/zinc/81/16/79/599811679.db2.gz ULFCJFJAOOICKW-SFHVURJKSA-N -1 0 337.419 3.554 20 0 EHADRM Cc1oc(COC(=O)C[C@H]2CCCc3ccccc32)cc1C(=O)[O-] ZINC000738983611 599811739 /nfs/dbraw/zinc/81/17/39/599811739.db2.gz SHRDSGNLQNHUFL-CQSZACIVSA-N -1 0 328.364 3.840 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC000738683021 599815820 /nfs/dbraw/zinc/81/58/20/599815820.db2.gz KDDIRWUKYGKHFL-AWEZNQCLSA-N -1 0 328.343 3.545 20 0 EHADRM CCC(CC)CNC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000736894609 599815850 /nfs/dbraw/zinc/81/58/50/599815850.db2.gz HTWRYFZSASQLNB-UHFFFAOYSA-N -1 0 333.432 3.543 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(CC(=O)[O-])cc1)C(C)(C)c1ccccc1 ZINC000736648866 599819563 /nfs/dbraw/zinc/81/95/63/599819563.db2.gz MBTRMOVIZVYVOQ-AWEZNQCLSA-N -1 0 340.423 3.802 20 0 EHADRM Cc1cc(NC(=O)N2CC[C@@H](c3cccc(F)c3)C2)ccc1C(=O)[O-] ZINC000738437229 599821023 /nfs/dbraw/zinc/82/10/23/599821023.db2.gz KWSZUFZEYWAYJE-CQSZACIVSA-N -1 0 342.370 3.854 20 0 EHADRM CC(C)(CNC(=O)NCCCCCC(=O)[O-])c1ccccc1Cl ZINC000414613340 599821898 /nfs/dbraw/zinc/82/18/98/599821898.db2.gz NBGZEIVCUAMERK-UHFFFAOYSA-N -1 0 340.851 3.562 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000736598227 599823878 /nfs/dbraw/zinc/82/38/78/599823878.db2.gz JPABLLMTGFHCRN-ZDUSSCGKSA-N -1 0 344.386 3.768 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)NCCCOC2CCCCC2)cc1 ZINC000739759559 599829009 /nfs/dbraw/zinc/82/90/09/599829009.db2.gz FTAPGNZZWYUWMY-UHFFFAOYSA-N -1 0 348.443 3.565 20 0 EHADRM Cc1sc(NC(=O)c2ccc(-n3ccnc3)cc2)c(C(=O)[O-])c1C ZINC000738996202 599834053 /nfs/dbraw/zinc/83/40/53/599834053.db2.gz NWFXJSAYACKWMX-UHFFFAOYSA-N -1 0 341.392 3.501 20 0 EHADRM CN(C(=O)CCCOc1ccc(Cl)cc1)c1ccccc1C(=O)[O-] ZINC000737317786 599837335 /nfs/dbraw/zinc/83/73/35/599837335.db2.gz MRGLWAMRBGPTBD-UHFFFAOYSA-N -1 0 347.798 3.860 20 0 EHADRM CN(C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1C(=O)[O-] ZINC000322148448 599837491 /nfs/dbraw/zinc/83/74/91/599837491.db2.gz SLTBRLAYBDSMHB-WDEREUQCSA-N -1 0 329.318 3.716 20 0 EHADRM Cc1ccc(Cl)c(O[C@H](C)C(=O)N(C)c2ccccc2C(=O)[O-])c1 ZINC000738281552 599837890 /nfs/dbraw/zinc/83/78/90/599837890.db2.gz RLKQBTSOBXVQIG-GFCCVEGCSA-N -1 0 347.798 3.777 20 0 EHADRM COc1ccc(S[C@H](C)C(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC000738069132 599837895 /nfs/dbraw/zinc/83/78/95/599837895.db2.gz IUWZNRBUNZIXTM-GFCCVEGCSA-N -1 0 345.420 3.537 20 0 EHADRM Cc1cccc(OCCC(=O)Nc2cccc(F)c2C(=O)[O-])c1C ZINC000325064356 599843851 /nfs/dbraw/zinc/84/38/51/599843851.db2.gz UZWZFLRHANNMTB-UHFFFAOYSA-N -1 0 331.343 3.548 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C)c(C)c2)cc1 ZINC000237352840 599848487 /nfs/dbraw/zinc/84/84/87/599848487.db2.gz UORHRYQLEJSDMG-QGZVFWFLSA-N -1 0 343.448 3.971 20 0 EHADRM COc1ccc([C@H](NCc2c(Cl)cccc2Cl)C(=O)[O-])cc1 ZINC000737972974 599861817 /nfs/dbraw/zinc/86/18/17/599861817.db2.gz PKQHRJFKDMRABO-HNNXBMFYSA-N -1 0 340.206 3.918 20 0 EHADRM CC(C)Oc1ccccc1COC(=O)c1ccccc1NC(=O)[O-] ZINC000736493256 599866601 /nfs/dbraw/zinc/86/66/01/599866601.db2.gz QYNHTOUPDHELLE-UHFFFAOYSA-N -1 0 329.352 3.921 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)N[C@@H]1CCCN(C(=O)[O-])C1)c1ccccc1 ZINC000736252073 599870167 /nfs/dbraw/zinc/87/01/67/599870167.db2.gz YARNWSWDJLZGHT-HZPDHXFCSA-N -1 0 347.459 3.606 20 0 EHADRM Cc1cc(C)c(C(=O)COC(=O)c2ccccc2NC(=O)[O-])cc1C ZINC000738350862 599870462 /nfs/dbraw/zinc/87/04/62/599870462.db2.gz DCGWFQINYYHUEY-UHFFFAOYSA-N -1 0 341.363 3.741 20 0 EHADRM O=C(/C=C\c1ccco1)NCc1c2ccccc2sc1C(=O)[O-] ZINC000739214961 599872740 /nfs/dbraw/zinc/87/27/40/599872740.db2.gz GTPZROGAPYPVKO-FPLPWBNLSA-N -1 0 327.361 3.522 20 0 EHADRM O=C([O-])c1coc(COC(=O)c2ccccc2NCc2ccco2)c1 ZINC000740269161 599877545 /nfs/dbraw/zinc/87/75/45/599877545.db2.gz CUNDFFQRJRXGDO-UHFFFAOYSA-N -1 0 341.319 3.540 20 0 EHADRM O=C([O-])c1coc(COC(=O)CSCc2cccc(Cl)c2)c1 ZINC000739338598 599877852 /nfs/dbraw/zinc/87/78/52/599877852.db2.gz UANQNHZUOCQCFV-UHFFFAOYSA-N -1 0 340.784 3.608 20 0 EHADRM CN(C(=O)c1ccccc1SCc1occc1C(=O)[O-])C1CC1 ZINC000136971337 599886745 /nfs/dbraw/zinc/88/67/45/599886745.db2.gz XGTYBRHXFGKNCV-UHFFFAOYSA-N -1 0 331.393 3.505 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)c2cccc(OC3CCCC3)c2)cc1 ZINC000739883004 599889136 /nfs/dbraw/zinc/88/91/36/599889136.db2.gz AROQFKXJVDQOAJ-UHFFFAOYSA-N -1 0 340.375 3.854 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2ccccc2Br)c1 ZINC000740035719 599893026 /nfs/dbraw/zinc/89/30/26/599893026.db2.gz FLJSMGOOFXDKTI-UHFFFAOYSA-N -1 0 335.157 3.791 20 0 EHADRM Cc1sc(NC(=O)c2cc(F)c(F)c(F)c2)c(C(=O)[O-])c1C ZINC000316363747 599893849 /nfs/dbraw/zinc/89/38/49/599893849.db2.gz GUDKYPXYOIVPNS-UHFFFAOYSA-N -1 0 329.299 3.733 20 0 EHADRM CN(C)c1ccc(Cl)cc1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000737376290 599896287 /nfs/dbraw/zinc/89/62/87/599896287.db2.gz RULXTFRDCUGFRY-UHFFFAOYSA-N -1 0 333.775 3.748 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cccc(OC2CCCC2)c1)c1cccs1 ZINC000448996052 599897575 /nfs/dbraw/zinc/89/75/75/599897575.db2.gz RKKBIPISBDCFSQ-INIZCTEOSA-N -1 0 345.420 3.625 20 0 EHADRM O=C([O-])COc1cccc(C(=O)N(c2ccccc2)C2CCCC2)c1 ZINC000739826160 599899801 /nfs/dbraw/zinc/89/98/01/599899801.db2.gz ITFDAMLMKQAVKP-UHFFFAOYSA-N -1 0 339.391 3.739 20 0 EHADRM COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000738074201 599903310 /nfs/dbraw/zinc/90/33/10/599903310.db2.gz OONMJYQRWCFHQS-KRWDZBQOSA-N -1 0 340.379 3.593 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C/C(=O)OCc1cc(C(=O)[O-])co1 ZINC000736890500 599903983 /nfs/dbraw/zinc/90/39/83/599903983.db2.gz CVQZGHFEDGYEET-MMQHEFTJSA-N -1 0 344.363 3.912 20 0 EHADRM CC(C)COc1ncccc1C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000736449317 599905474 /nfs/dbraw/zinc/90/54/74/599905474.db2.gz HMLBRYXNJYDKPT-UHFFFAOYSA-N -1 0 348.786 3.720 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)NCCCCCc2ccccc2)c1 ZINC000740032353 599913706 /nfs/dbraw/zinc/91/37/06/599913706.db2.gz WFQWAWRQPNBCMV-UHFFFAOYSA-N -1 0 326.396 3.919 20 0 EHADRM Cc1c(C(=O)N(C[C@H](C)C(=O)[O-])C2CC2)oc2c1c(C)ccc2C ZINC000237477682 599915061 /nfs/dbraw/zinc/91/50/61/599915061.db2.gz MHJLQRCRZFMHJW-LBPRGKRZSA-N -1 0 329.396 3.683 20 0 EHADRM Cc1ccc(OCCC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1C ZINC000237709969 599916246 /nfs/dbraw/zinc/91/62/46/599916246.db2.gz BNRZCQVHCAUHQP-UHFFFAOYSA-N -1 0 327.380 3.718 20 0 EHADRM C[C@H](CN(C(=O)[C@H](C)Sc1ccccc1Cl)C1CC1)C(=O)[O-] ZINC000237614886 599917112 /nfs/dbraw/zinc/91/71/12/599917112.db2.gz XVUCYPNXECIFOO-MNOVXSKESA-N -1 0 341.860 3.532 20 0 EHADRM Cc1cc(NC(=O)c2ccc(OC(F)(F)F)cc2)ccc1C(=O)[O-] ZINC000237733844 599917413 /nfs/dbraw/zinc/91/74/13/599917413.db2.gz XDZFHFHENJVKLB-UHFFFAOYSA-N -1 0 339.269 3.844 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])cc1)[C@H](c1ccccc1)C(F)(F)F ZINC000737336669 599919416 /nfs/dbraw/zinc/91/94/16/599919416.db2.gz PNNOTUPFXUIDNF-CQSZACIVSA-N -1 0 337.297 3.760 20 0 EHADRM C[C@@H](CN(C(=O)c1ccc2c(c1)Cc1ccccc1-2)C1CC1)C(=O)[O-] ZINC000431795911 599919440 /nfs/dbraw/zinc/91/94/40/599919440.db2.gz IIGZOSBSDJCRKD-ZDUSSCGKSA-N -1 0 335.403 3.583 20 0 EHADRM Cc1ccc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)c(C)c1 ZINC000237626441 599921948 /nfs/dbraw/zinc/92/19/48/599921948.db2.gz SSYQPOMNZGHHAC-UHFFFAOYSA-N -1 0 329.421 3.874 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000736930343 599928911 /nfs/dbraw/zinc/92/89/11/599928911.db2.gz ZXYAXFIMJLZLGB-WBVHZDCISA-N -1 0 347.455 3.823 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)CCc1cc(F)ccc1F)c1ccccc1 ZINC000139257988 599930952 /nfs/dbraw/zinc/93/09/52/599930952.db2.gz GSFOZDBOOZJGBW-QGZVFWFLSA-N -1 0 347.361 3.620 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)c1cccc(C(F)F)c1)c1ccccc1 ZINC000739662434 599931274 /nfs/dbraw/zinc/93/12/74/599931274.db2.gz FVHZDZCTQPWTDK-OAHLLOKOSA-N -1 0 333.334 3.960 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)c1cccc(-n2cccc2)c1)c1ccccc1 ZINC000362331548 599934976 /nfs/dbraw/zinc/93/49/76/599934976.db2.gz ZJNPONNZPXCMQX-IBGZPJMESA-N -1 0 348.402 3.813 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)c1cc(Cl)ccc1F)c1ccccc1 ZINC000193451118 599935032 /nfs/dbraw/zinc/93/50/32/599935032.db2.gz BQONZBNOTNAZAH-OAHLLOKOSA-N -1 0 335.762 3.815 20 0 EHADRM CSc1ccccc1C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000319886809 599936886 /nfs/dbraw/zinc/93/68/86/599936886.db2.gz XRFYHRQVPBOFQW-HNNXBMFYSA-N -1 0 329.421 3.744 20 0 EHADRM CC(C)(Cc1ccccc1Cl)NC(=O)c1ccc(C(=O)[O-])s1 ZINC000236772184 599937696 /nfs/dbraw/zinc/93/76/96/599937696.db2.gz IPTYPUKMFWBXLL-UHFFFAOYSA-N -1 0 337.828 3.851 20 0 EHADRM Cc1cc(OCC(=O)Nc2cccc(C(=O)[O-])c2O)ccc1C(C)C ZINC000738473484 599947538 /nfs/dbraw/zinc/94/75/38/599947538.db2.gz PMAQMWWFWCYBAE-UHFFFAOYSA-N -1 0 343.379 3.540 20 0 EHADRM Cc1oc(CN(C)Cc2ccccc2OCC(C)C)cc1C(=O)[O-] ZINC000738966401 599947682 /nfs/dbraw/zinc/94/76/82/599947682.db2.gz CPWKVDNNGMGCNR-UHFFFAOYSA-N -1 0 331.412 3.953 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccccc1 ZINC000139376632 599953007 /nfs/dbraw/zinc/95/30/07/599953007.db2.gz ZHCAMBLCSRXKDN-HNNXBMFYSA-N -1 0 340.354 3.643 20 0 EHADRM Cc1oc(-c2ccsc2)nc1CC(=O)Oc1ccc(C(=O)[O-])cc1 ZINC000738389276 599968149 /nfs/dbraw/zinc/96/81/49/599968149.db2.gz ZBYJLHUPMSCHLX-UHFFFAOYSA-N -1 0 343.360 3.558 20 0 EHADRM Cc1oc(CSCc2cc(F)cc3c2OCOC3)cc1C(=O)[O-] ZINC000738974170 599981881 /nfs/dbraw/zinc/98/18/81/599981881.db2.gz AODAZJDJEFWHKN-UHFFFAOYSA-N -1 0 338.356 3.725 20 0 EHADRM Cc1nc(-c2ccccc2)c(C(=O)OCc2ccc(C(=O)[O-])o2)s1 ZINC000738831936 599983547 /nfs/dbraw/zinc/98/35/47/599983547.db2.gz MBQSZONIGCXKCY-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2CCC(c3ccc(O)cc3)CC2)c1 ZINC000740027571 599988553 /nfs/dbraw/zinc/98/85/53/599988553.db2.gz WRKTWAQYFGDEDH-UHFFFAOYSA-N -1 0 340.379 3.502 20 0 EHADRM CCCc1c(C(=O)Nc2cccc([C@H](C)OC)c2)[nH]c(C)c1C(=O)[O-] ZINC000737043251 599991908 /nfs/dbraw/zinc/99/19/08/599991908.db2.gz IHWRVWGFMHCGMC-LBPRGKRZSA-N -1 0 344.411 3.934 20 0 EHADRM Cc1ccc(NC(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])cc1C ZINC000738624412 599993785 /nfs/dbraw/zinc/99/37/85/599993785.db2.gz IBCPBUYCZMJBPJ-OAHLLOKOSA-N -1 0 344.386 3.508 20 0 EHADRM O=C([O-])c1occc1COC(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000739216724 599996137 /nfs/dbraw/zinc/99/61/37/599996137.db2.gz PZTDBHRWFOWHIN-LBPRGKRZSA-N -1 0 342.269 3.757 20 0 EHADRM O=C([O-])CCCCCCNC(=O)N1CCC[C@H](Cc2ccccc2)C1 ZINC000739666757 599997794 /nfs/dbraw/zinc/99/77/94/599997794.db2.gz TUBACCQONPGNKM-GOSISDBHSA-N -1 0 346.471 3.686 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000388349789 600000076 /nfs/dbraw/zinc/00/00/76/600000076.db2.gz JUHIVJYHSRBBAE-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)N[C@H](CC(=O)[O-])c2ccccc2)c1 ZINC000737732142 600000614 /nfs/dbraw/zinc/00/06/14/600000614.db2.gz BUYJXAYRCMGADH-CXAGYDPISA-N -1 0 342.395 3.732 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)OCC(=O)c2cccc3ccccc32)c1 ZINC000740037962 600001457 /nfs/dbraw/zinc/00/14/57/600001457.db2.gz ZKUKALMBFBNNLZ-UHFFFAOYSA-N -1 0 349.342 3.969 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000738118881 600001881 /nfs/dbraw/zinc/00/18/81/600001881.db2.gz DNHLUFVOKVAUAQ-NEPJUHHUSA-N -1 0 332.352 3.784 20 0 EHADRM Cc1ccc(OCc2nnc(-c3cccc(Cl)c3)o2)c(C(=O)[O-])c1 ZINC000738648241 600005283 /nfs/dbraw/zinc/00/52/83/600005283.db2.gz HGWJASMTJBTHHJ-UHFFFAOYSA-N -1 0 344.754 3.976 20 0 EHADRM Cc1ccc(F)c(C(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)c1 ZINC000738603385 600007290 /nfs/dbraw/zinc/00/72/90/600007290.db2.gz LDKFGMSTHBRDNC-UHFFFAOYSA-N -1 0 345.355 3.536 20 0 EHADRM CC(C)(NC(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000736325003 600009490 /nfs/dbraw/zinc/00/94/90/600009490.db2.gz UGEGVGGLYUZTRG-UHFFFAOYSA-N -1 0 330.359 3.510 20 0 EHADRM O=C([O-])c1sc(NC[C@@H](O)c2ccc3ccccc3c2)nc1Cl ZINC000740278556 600012579 /nfs/dbraw/zinc/01/25/79/600012579.db2.gz HUSIQSLZGMUBDZ-GFCCVEGCSA-N -1 0 348.811 3.793 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(Cc1ncc(-c3cccs3)o1)C2 ZINC000740203662 600014863 /nfs/dbraw/zinc/01/48/63/600014863.db2.gz VBMQWZFEHGMDPK-UHFFFAOYSA-N -1 0 326.377 3.617 20 0 EHADRM CCCOc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000737031501 600015763 /nfs/dbraw/zinc/01/57/63/600015763.db2.gz NNNDXMCWTZSGBQ-UHFFFAOYSA-N -1 0 342.395 3.804 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)NCc1cccc3ccccc31)C2 ZINC000740199359 600021270 /nfs/dbraw/zinc/02/12/70/600021270.db2.gz JNXREXLRJPBUQR-UHFFFAOYSA-N -1 0 346.386 3.763 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1NC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000669499080 600021498 /nfs/dbraw/zinc/02/14/98/600021498.db2.gz UOXGYOFRJPKLSZ-AWEZNQCLSA-N -1 0 340.379 3.726 20 0 EHADRM CC(C)(NC(=O)NC1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000263439423 600022559 /nfs/dbraw/zinc/02/25/59/600022559.db2.gz DERPWHGGGUVCAC-UHFFFAOYSA-N -1 0 338.835 3.518 20 0 EHADRM Cc1cccc(C[C@@H](CNC(=O)Nc2cccc(C)c2C)C(=O)[O-])c1 ZINC000738708531 600026215 /nfs/dbraw/zinc/02/62/15/600026215.db2.gz PUOGVGSDOSZACZ-KRWDZBQOSA-N -1 0 340.423 3.677 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000739889437 600028279 /nfs/dbraw/zinc/02/82/79/600028279.db2.gz MJMZCRDZRFAKCU-VXGBXAGGSA-N -1 0 330.302 3.588 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)NCCCSc2ccccc2)cc1 ZINC000238064223 600033843 /nfs/dbraw/zinc/03/38/43/600033843.db2.gz CGYBIQRXXZDRDO-UHFFFAOYSA-N -1 0 343.448 3.616 20 0 EHADRM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2cc(C(=O)[O-])ccc2Cl)c1 ZINC000738096509 600035531 /nfs/dbraw/zinc/03/55/31/600035531.db2.gz PBHIZUYJQASRFK-KGLIPLIRSA-N -1 0 345.782 3.789 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Oc2ccc(C(F)(F)F)cc2)cc1 ZINC000739260091 600035499 /nfs/dbraw/zinc/03/54/99/600035499.db2.gz CXPJFHBKJLJPIR-UHFFFAOYSA-N -1 0 338.281 3.942 20 0 EHADRM C[C@@H](c1ccccc1F)N(C)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237593844 600037492 /nfs/dbraw/zinc/03/74/92/600037492.db2.gz HRAYAXNMMHWSMP-ZDUSSCGKSA-N -1 0 329.371 3.676 20 0 EHADRM CCc1cccc2c(CC(=O)Nc3ccc(F)cc3C(=O)[O-])c[nH]c21 ZINC000737270000 600039591 /nfs/dbraw/zinc/03/95/91/600039591.db2.gz NHSQIFNGFAFOTH-UHFFFAOYSA-N -1 0 340.354 3.749 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC000739260000 600040791 /nfs/dbraw/zinc/04/07/91/600040791.db2.gz LTOWBSHSBMGLQQ-UHFFFAOYSA-N -1 0 338.407 3.556 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000621556098 600041050 /nfs/dbraw/zinc/04/10/50/600041050.db2.gz BPMAKARUTTVSIC-UHFFFAOYSA-N -1 0 344.436 3.603 20 0 EHADRM CC(C)COc1cccc(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000326998954 600042607 /nfs/dbraw/zinc/04/26/07/600042607.db2.gz WCYQVMVZTQCSNO-UHFFFAOYSA-N -1 0 339.391 3.576 20 0 EHADRM CC1(c2ccccc2)CC(NC(=O)CCc2ccc(C(=O)[O-])cc2)C1 ZINC000263571721 600044704 /nfs/dbraw/zinc/04/47/04/600044704.db2.gz JTJQVUGECYLYSG-UHFFFAOYSA-N -1 0 337.419 3.554 20 0 EHADRM CC[C@](C)(NC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000736862070 600044878 /nfs/dbraw/zinc/04/48/78/600044878.db2.gz WZTUMBMMPIFJTB-FQEVSTJZSA-N -1 0 325.408 3.759 20 0 EHADRM Cc1cc(C(=O)Nc2nc3nc(C)cc(C(=O)[O-])c3s2)c(C)s1 ZINC000738346391 600049744 /nfs/dbraw/zinc/04/97/44/600049744.db2.gz SXWJIJQZUNBFOS-UHFFFAOYSA-N -1 0 347.421 3.629 20 0 EHADRM Cc1cc(C(=O)[O-])c2sc(NC(=O)C[C@@H]3CCCC[C@@H]3C)nc2n1 ZINC000738340917 600050438 /nfs/dbraw/zinc/05/04/38/600050438.db2.gz CJLNRFQJTOGOJG-ONGXEEELSA-N -1 0 347.440 3.853 20 0 EHADRM O=C([O-])c1cc(F)ccc1CSc1nccc(C(F)(F)F)n1 ZINC000740077564 600058889 /nfs/dbraw/zinc/05/88/89/600058889.db2.gz LKPDFWMIBFZWGA-UHFFFAOYSA-N -1 0 332.278 3.625 20 0 EHADRM COc1ccccc1C/C(C)=C/C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000738126489 600059162 /nfs/dbraw/zinc/05/91/62/600059162.db2.gz WFJZDVOEPXJYEA-OUKQBFOZSA-N -1 0 341.363 3.880 20 0 EHADRM COc1ccc(OCCSCc2ccc(F)cc2C(=O)[O-])cc1 ZINC000738048113 600059462 /nfs/dbraw/zinc/05/94/62/600059462.db2.gz ACJFSSXTDGJZKY-UHFFFAOYSA-N -1 0 336.384 3.845 20 0 EHADRM CCOc1ccc(Oc2ccc(NC(=O)[C@H]3C[C@H]3C(=O)[O-])cc2)cc1 ZINC000485662620 600059707 /nfs/dbraw/zinc/05/97/07/600059707.db2.gz FGVZAAQLVOOMFA-DLBZAZTESA-N -1 0 341.363 3.537 20 0 EHADRM CC[C@H](CC(=O)Oc1ccc(C(=O)[O-])cc1OC)c1ccccc1 ZINC000736893814 600060107 /nfs/dbraw/zinc/06/01/07/600060107.db2.gz LHEZVGGYDZRHST-CYBMUJFWSA-N -1 0 328.364 3.883 20 0 EHADRM CC[C@H](CC(=O)N[C@H](CC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000236936130 600060666 /nfs/dbraw/zinc/06/06/66/600060666.db2.gz QBHZFSJBVVDKSD-CRAIPNDOSA-N -1 0 325.408 3.903 20 0 EHADRM Cc1cccc2[nH]cc(CC(=O)N3CCCc4c(C(=O)[O-])cccc43)c21 ZINC000738746206 600061087 /nfs/dbraw/zinc/06/10/87/600061087.db2.gz GEETWFWMYVHSIJ-UHFFFAOYSA-N -1 0 348.402 3.696 20 0 EHADRM CC/C(=C/C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])c1ccccc1 ZINC000736834198 600061953 /nfs/dbraw/zinc/06/19/53/600061953.db2.gz GYMCJXRZFJMBEG-RXHHAWBHSA-N -1 0 335.403 3.518 20 0 EHADRM Cc1cccc2[nH]cc(CC(=O)Oc3ccc(Cl)cc3C(=O)[O-])c21 ZINC000738746847 600062565 /nfs/dbraw/zinc/06/25/65/600062565.db2.gz MKXUTPHGRQGBNL-UHFFFAOYSA-N -1 0 343.766 3.976 20 0 EHADRM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ccccc1SCc1ccccc1 ZINC000739553017 600062661 /nfs/dbraw/zinc/06/26/61/600062661.db2.gz LEZHPHZNOQRJJQ-KBPBESRZSA-N -1 0 327.405 3.638 20 0 EHADRM CC[C@H](CC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F)c1ccccc1 ZINC000736891460 600063155 /nfs/dbraw/zinc/06/31/55/600063155.db2.gz BGBMFTHYZHVYSE-XIKOKIGWSA-N -1 0 347.361 3.791 20 0 EHADRM COc1ccc(NC(=O)c2cc(C)n(C(C)C)c2C)c(C(=O)[O-])c1 ZINC000342543186 600072346 /nfs/dbraw/zinc/07/23/46/600072346.db2.gz INFDKLUGPCITSO-UHFFFAOYSA-N -1 0 330.384 3.645 20 0 EHADRM O=C([O-])c1sc(N[C@H]2CCOc3ccc(F)cc32)nc1Cl ZINC000740278473 600075422 /nfs/dbraw/zinc/07/54/22/600075422.db2.gz GPOBDJOKJFPNSS-QMMMGPOBSA-N -1 0 328.752 3.570 20 0 EHADRM O=C([O-])c1ccc(NCC2(Sc3ccccc3)CCCC2)nn1 ZINC000740160545 600076715 /nfs/dbraw/zinc/07/67/15/600076715.db2.gz BMACFTTXGJQGHH-UHFFFAOYSA-N -1 0 329.425 3.692 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(Cc1cc(-c3ccc(F)cc3)no1)C2 ZINC000740203671 600081360 /nfs/dbraw/zinc/08/13/60/600081360.db2.gz VUYYOLSOGLISMC-UHFFFAOYSA-N -1 0 338.338 3.695 20 0 EHADRM CCN(CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)[C@@H](C)c1ccc(F)cc1 ZINC000737079870 600085504 /nfs/dbraw/zinc/08/55/04/600085504.db2.gz UVPGBPHWXDXTKS-ZDUSSCGKSA-N -1 0 346.402 3.735 20 0 EHADRM Cc1oc(-c2ccsc2)nc1CN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000738957289 600086780 /nfs/dbraw/zinc/08/67/80/600086780.db2.gz JGCKVWUBFBMTAY-UHFFFAOYSA-N -1 0 340.404 3.926 20 0 EHADRM Cc1cccc(-c2nnc([C@@H](C)N3Cc4ccc(C(=O)[O-])cc4C3)o2)c1 ZINC000738680311 600087218 /nfs/dbraw/zinc/08/72/18/600087218.db2.gz FJEQZJRHWNNPFP-CYBMUJFWSA-N -1 0 349.390 3.820 20 0 EHADRM COc1cc(COC(=O)c2ccc(NC(=O)[O-])cc2)ccc1SC ZINC000737886274 600087672 /nfs/dbraw/zinc/08/76/72/600087672.db2.gz MRRTXVVBVSVUSA-UHFFFAOYSA-N -1 0 347.392 3.864 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(Cc1coc(-c3cccc(F)c3)n1)C2 ZINC000327076750 600087744 /nfs/dbraw/zinc/08/77/44/600087744.db2.gz RSQZBKOCVSUHAT-UHFFFAOYSA-N -1 0 338.338 3.695 20 0 EHADRM Cc1ccc(-c2noc(CCc3ccc(C(=O)[O-])cc3)n2)cc1F ZINC000738495807 600107252 /nfs/dbraw/zinc/10/72/52/600107252.db2.gz ZYWPCESMFGKQCV-UHFFFAOYSA-N -1 0 326.327 3.668 20 0 EHADRM O=C([O-])COC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 ZINC000739818853 600109519 /nfs/dbraw/zinc/10/95/19/600109519.db2.gz FLUOMTZARASOJT-UHFFFAOYSA-N -1 0 346.282 3.555 20 0 EHADRM Cc1ccccc1SCC(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000738786662 600111130 /nfs/dbraw/zinc/11/11/30/600111130.db2.gz VJKHAPWHRSOXQQ-UHFFFAOYSA-N -1 0 334.368 3.668 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)Nc1ccc(Cl)cc1F)C2 ZINC000321586953 600111271 /nfs/dbraw/zinc/11/12/71/600111271.db2.gz DQBYGLADKLGZIR-UHFFFAOYSA-N -1 0 334.734 3.725 20 0 EHADRM Cc1[nH]c2ccccc2c1C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000738246732 600112162 /nfs/dbraw/zinc/11/21/62/600112162.db2.gz KDEXKMKKHLKTOU-UHFFFAOYSA-N -1 0 327.311 3.671 20 0 EHADRM Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2cccc(C(=O)[O-])c2C)s1 ZINC000738844793 600112911 /nfs/dbraw/zinc/11/29/11/600112911.db2.gz OMBCWZKVONSCBW-NSHDSACASA-N -1 0 347.440 3.991 20 0 EHADRM O=C([O-])c1ccc(-c2noc(-c3cccc(Br)c3)n2)cc1 ZINC000041722048 600113059 /nfs/dbraw/zinc/11/30/59/600113059.db2.gz OBMWQVKCMFJZAQ-UHFFFAOYSA-N -1 0 345.152 3.864 20 0 EHADRM C[C@H]1c2ccccc2CCN1C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000736840497 600113670 /nfs/dbraw/zinc/11/36/70/600113670.db2.gz NHDBYGGNAVXXQS-ZDUSSCGKSA-N -1 0 339.395 3.952 20 0 EHADRM CCCn1ccc2cc(NC(=O)NC3CCC(C(=O)[O-])CC3)ccc21 ZINC000263514333 600115306 /nfs/dbraw/zinc/11/53/06/600115306.db2.gz ZBHMFLYAWZUJHF-UHFFFAOYSA-N -1 0 343.427 3.816 20 0 EHADRM Cc1cccc2[nH]cc(CC(=O)O[C@H](C)c3ccc(C(=O)[O-])o3)c21 ZINC000738745989 600118858 /nfs/dbraw/zinc/11/88/58/600118858.db2.gz AMOAJTBBGRDTGM-LLVKDONJSA-N -1 0 327.336 3.614 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)c1ccc(C(C)C)cc1 ZINC000736188299 600123123 /nfs/dbraw/zinc/12/31/23/600123123.db2.gz BWVFASYKYBIUAU-UHFFFAOYSA-N -1 0 326.348 3.930 20 0 EHADRM Cc1cc(NC(=O)c2sc3cccc(F)c3c2C)c(C(=O)[O-])[nH]1 ZINC000322407319 600124340 /nfs/dbraw/zinc/12/43/40/600124340.db2.gz QZLYRRGRSNTIOW-UHFFFAOYSA-N -1 0 332.356 3.936 20 0 EHADRM CC[C@@](NC(=O)[C@H](C)Cc1cccc(F)c1)(C(=O)[O-])c1ccccc1 ZINC000485370296 600128280 /nfs/dbraw/zinc/12/82/80/600128280.db2.gz DCMCTGKJSDERNL-VLIAUNLRSA-N -1 0 343.398 3.511 20 0 EHADRM Cc1ccc(OC(=O)COc2ccc3ccccc3c2)c(C(=O)[O-])c1 ZINC000738638553 600132803 /nfs/dbraw/zinc/13/28/03/600132803.db2.gz ICWGDILJOMMILG-UHFFFAOYSA-N -1 0 336.343 3.831 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NC1(C(=O)[O-])CCCC1 ZINC000237316543 600140862 /nfs/dbraw/zinc/14/08/62/600140862.db2.gz UOLXQYNCTOMCDV-JTQLQIEISA-N -1 0 344.238 3.686 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2sccc2SC(F)F)cc1 ZINC000238097140 600142618 /nfs/dbraw/zinc/14/26/18/600142618.db2.gz BVQWKMBDWAYSBR-UHFFFAOYSA-N -1 0 343.376 3.691 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)Oc1ccccc1C(=O)[O-] ZINC000738125694 600142938 /nfs/dbraw/zinc/14/29/38/600142938.db2.gz KMECSUBCBXQMMM-ZDUSSCGKSA-N -1 0 328.364 3.568 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CN1C[C@@H](c2ccccc2)OCC1(C)C ZINC000563278742 600144035 /nfs/dbraw/zinc/14/40/35/600144035.db2.gz MIRCKPNUBWPLGU-KRWDZBQOSA-N -1 0 329.396 3.638 20 0 EHADRM Cc1cc(C)c(C)c(OCCC(=O)Nc2sccc2C(=O)[O-])c1 ZINC000738356295 600145307 /nfs/dbraw/zinc/14/53/07/600145307.db2.gz UNGFQLFNPNHOHQ-UHFFFAOYSA-N -1 0 333.409 3.779 20 0 EHADRM CCn1c2ccccc2c2cc(NC(=O)C(C)(C)NC(=O)[O-])ccc21 ZINC000737299679 600149792 /nfs/dbraw/zinc/14/97/92/600149792.db2.gz RXZBYYPTVZCEJV-UHFFFAOYSA-N -1 0 339.395 3.799 20 0 EHADRM O=C([O-])CCCCCNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000238152793 600149813 /nfs/dbraw/zinc/14/98/13/600149813.db2.gz ALMFGBBYDICHJL-OLZOCXBDSA-N -1 0 344.238 3.858 20 0 EHADRM CC(C)(NC(=O)[O-])C(=O)N1CCC(c2cccc3ccccc32)CC1 ZINC000736323930 600158544 /nfs/dbraw/zinc/15/85/44/600158544.db2.gz ATZZCXPLEUFGQU-UHFFFAOYSA-N -1 0 340.423 3.592 20 0 EHADRM Cc1ccc(C)c(N(C(C)C)S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000738262731 600161702 /nfs/dbraw/zinc/16/17/02/600161702.db2.gz RGIYVBRESMRABP-UHFFFAOYSA-N -1 0 347.436 3.605 20 0 EHADRM CCC[C@@H](C(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1)c1ccccc1 ZINC000486369873 600162687 /nfs/dbraw/zinc/16/26/87/600162687.db2.gz HMUJUXSTEJIFQH-RTBURBONSA-N -1 0 339.435 3.863 20 0 EHADRM Cc1ccc([C@H](CNC(=O)c2ccc3ccccc3c2)C(=O)[O-])cc1 ZINC000486390505 600164425 /nfs/dbraw/zinc/16/44/25/600164425.db2.gz UVWSXJINWYJZBM-IBGZPJMESA-N -1 0 333.387 3.746 20 0 EHADRM CC(C)[C@@H](OC(=O)c1csc(-c2ccccc2Cl)n1)C(=O)[O-] ZINC000736391164 600164888 /nfs/dbraw/zinc/16/48/88/600164888.db2.gz OLPALGFEXSHBKI-GFCCVEGCSA-N -1 0 339.800 3.730 20 0 EHADRM CC(C)[C@H](OC(=O)c1csc(-c2ccccc2Cl)n1)C(=O)[O-] ZINC000736391167 600164988 /nfs/dbraw/zinc/16/49/88/600164988.db2.gz OLPALGFEXSHBKI-LBPRGKRZSA-N -1 0 339.800 3.730 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)c(F)c1 ZINC000321326224 600167979 /nfs/dbraw/zinc/16/79/79/600167979.db2.gz GNWRQLNNFRWLHN-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCc2c[nH]c3ccccc23)c(F)c1 ZINC000324805857 600168092 /nfs/dbraw/zinc/16/80/92/600168092.db2.gz QUJSJKBWOWGXNE-UHFFFAOYSA-N -1 0 326.327 3.577 20 0 EHADRM Cc1cc(NC(=O)CCc2ccc(C(C)(C)C)cc2)c(C(=O)[O-])[nH]1 ZINC000738427917 600169461 /nfs/dbraw/zinc/16/94/61/600169461.db2.gz LKGJOSMPJSCYEK-UHFFFAOYSA-N -1 0 328.412 3.890 20 0 EHADRM CN(Cc1ccc(F)cc1Cl)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000737478010 600172121 /nfs/dbraw/zinc/17/21/21/600172121.db2.gz YHPCALJPNROBMD-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)Nc2cccc(Cl)c2)C(=O)[O-])cc1 ZINC000738563322 600172347 /nfs/dbraw/zinc/17/23/47/600172347.db2.gz ZPDLVNMDYPREJH-OAHLLOKOSA-N -1 0 332.787 3.638 20 0 EHADRM Cc1ccc([C@H](CNC(=O)Nc2cc(C)cc(C)c2)C(=O)[O-])cc1 ZINC000738560267 600176864 /nfs/dbraw/zinc/17/68/64/600176864.db2.gz LCKKIXWZXSMEPI-KRWDZBQOSA-N -1 0 326.396 3.602 20 0 EHADRM CC(C)CC[C@H](NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)C(C)(C)C ZINC000736429172 600189805 /nfs/dbraw/zinc/18/98/05/600189805.db2.gz SKJDTDGLNUTBKE-GJZGRUSLSA-N -1 0 338.492 3.734 20 0 EHADRM C/C(=C\C(=O)N(CCC(=O)[O-])Cc1ccccc1)c1cccc(F)c1 ZINC000736119002 600192111 /nfs/dbraw/zinc/19/21/11/600192111.db2.gz ZVGUGNUNKUJYLJ-NTCAYCPXSA-N -1 0 341.382 3.733 20 0 EHADRM CC[C@](C)(NC(=O)c1cc(-c2ccccc2)ccc1Cl)C(=O)[O-] ZINC000346021761 600196380 /nfs/dbraw/zinc/19/63/80/600196380.db2.gz DVQMSUZHAVRODD-SFHVURJKSA-N -1 0 331.799 3.990 20 0 EHADRM CC(C)COc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC000325041950 600199259 /nfs/dbraw/zinc/19/92/59/600199259.db2.gz PXGGHNYKCAEIKX-UHFFFAOYSA-N -1 0 331.343 3.811 20 0 EHADRM C[C@]1(C(=O)Nc2ccc(C(=O)[O-])cc2F)CCCc2ccccc21 ZINC000261895249 600199392 /nfs/dbraw/zinc/19/93/92/600199392.db2.gz CSTHDYWWKJQRCH-IBGZPJMESA-N -1 0 327.355 3.757 20 0 EHADRM Cc1cc(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)c(C)n1C1CCCCC1 ZINC000237777582 600200158 /nfs/dbraw/zinc/20/01/58/600200158.db2.gz GDBXIFJTGQODEI-LJQANCHMSA-N -1 0 332.444 3.593 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccccc2OCC2CC2)c(F)c1 ZINC000479486266 600201756 /nfs/dbraw/zinc/20/17/56/600201756.db2.gz MPCASOHTPVEWIS-UHFFFAOYSA-N -1 0 329.327 3.565 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(F)c(Cl)nc2Cl)c(F)c1 ZINC000740150572 600202100 /nfs/dbraw/zinc/20/21/00/600202100.db2.gz VOCDOPMBQAOWRV-UHFFFAOYSA-N -1 0 347.104 3.617 20 0 EHADRM C/C(=C/C(=O)N[C@H](CCC(=O)[O-])c1ccccc1)c1cccc(F)c1 ZINC000736119779 600202432 /nfs/dbraw/zinc/20/24/32/600202432.db2.gz BXPNOXVKBKOWAB-RXXLQFRUSA-N -1 0 341.382 3.951 20 0 EHADRM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000485728099 600207252 /nfs/dbraw/zinc/20/72/52/600207252.db2.gz ABCJSHOCUYDPBX-CVEARBPZSA-N -1 0 345.782 3.578 20 0 EHADRM CN(CC(=O)N[C@H](c1ccccc1)c1cccc2ccccc21)C(=O)[O-] ZINC000737392699 600207884 /nfs/dbraw/zinc/20/78/84/600207884.db2.gz CTLGIIRSCKVRQH-HXUWFJFHSA-N -1 0 348.402 3.655 20 0 EHADRM Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000738606765 600214288 /nfs/dbraw/zinc/21/42/88/600214288.db2.gz NHQUIFOZKDWFTL-UHFFFAOYSA-N -1 0 339.269 3.686 20 0 EHADRM C[C@@H]1CCc2c(C(=O)N3C[C@@H](C(=O)[O-])c4ccccc43)csc2C1 ZINC000177468813 600215243 /nfs/dbraw/zinc/21/52/43/600215243.db2.gz BJBHFYUIYMQNGQ-BXUZGUMPSA-N -1 0 341.432 3.702 20 0 EHADRM Cc1oc(-c2ccsc2)nc1CN(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000738958170 600215524 /nfs/dbraw/zinc/21/55/24/600215524.db2.gz TYWXMHOHRAGWIV-MRXNPFEDSA-N -1 0 342.420 3.969 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)/C=C/c2ccc(Cl)s2)c2ccccc21 ZINC000177467181 600217653 /nfs/dbraw/zinc/21/76/53/600217653.db2.gz BKMUWFNHQXTHNO-WMADIVHISA-N -1 0 333.796 3.630 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)Cc2cccc3ccccc32)c2ccccc21 ZINC000177480301 600218954 /nfs/dbraw/zinc/21/89/54/600218954.db2.gz PZMHHRDMLZJXPL-SFHVURJKSA-N -1 0 331.371 3.597 20 0 EHADRM CCn1cc(C(=O)Nc2cc(C)c(C(=O)[O-])s2)c2ccccc21 ZINC000737301875 600229490 /nfs/dbraw/zinc/22/94/90/600229490.db2.gz FNOUGUVPQJEORY-UHFFFAOYSA-N -1 0 328.393 3.982 20 0 EHADRM CC1(C)Oc2ccc(NC(=O)Nc3cccc(NC(=O)[O-])c3)cc2O1 ZINC000736738724 600230604 /nfs/dbraw/zinc/23/06/04/600230604.db2.gz WKEXXBFGYSAAGX-UHFFFAOYSA-N -1 0 343.339 3.928 20 0 EHADRM COc1cc(F)c(NC(=O)Nc2cccc(NC(=O)[O-])c2)cc1OC ZINC000737888617 600234732 /nfs/dbraw/zinc/23/47/32/600234732.db2.gz GXHZQYZBHBLOQX-UHFFFAOYSA-N -1 0 349.318 3.577 20 0 EHADRM CC(C)(C)C1CCN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)CC1 ZINC000736250236 600240744 /nfs/dbraw/zinc/24/07/44/600240744.db2.gz IQKRGPZHCUXXEW-UHFFFAOYSA-N -1 0 348.443 3.830 20 0 EHADRM C[C@@H]1CCCC[C@H]1OCC(=O)Oc1cc(Cl)ccc1C(=O)[O-] ZINC000736781987 600241756 /nfs/dbraw/zinc/24/17/56/600241756.db2.gz BIECDXBVCMDDLJ-ZWNOBZJWSA-N -1 0 326.776 3.539 20 0 EHADRM Cc1ccc(OC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)c(C(=O)[O-])c1 ZINC000738635574 600246028 /nfs/dbraw/zinc/24/60/28/600246028.db2.gz DSMQUYLEIDUONL-QWRGUYRKSA-N -1 0 332.302 3.681 20 0 EHADRM CC(C)(C(=O)Oc1ccc(CC(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000736231350 600246733 /nfs/dbraw/zinc/24/67/33/600246733.db2.gz AZELGNJGNXITMU-UHFFFAOYSA-N -1 0 332.783 3.850 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)CC[C@@H]1CCCCO1 ZINC000676018674 600250221 /nfs/dbraw/zinc/25/02/21/600250221.db2.gz CSWCBHPFWMWBAR-LBPRGKRZSA-N -1 0 347.436 3.565 20 0 EHADRM CC(C)(C)/C=C\C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000736253639 600257919 /nfs/dbraw/zinc/25/79/19/600257919.db2.gz ZEYODSFYNZWCFR-LENZSSGSSA-N -1 0 339.435 3.802 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(C(=O)C(c1ccccc1)c1ccccc1)CC2 ZINC000262483560 600266530 /nfs/dbraw/zinc/26/65/30/600266530.db2.gz UYQILBXIVRMPEJ-SFHVURJKSA-N -1 0 349.430 3.532 20 0 EHADRM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000736765146 600267154 /nfs/dbraw/zinc/26/71/54/600267154.db2.gz YKBOYKYNEROGFH-WFASDCNBSA-N -1 0 342.370 3.934 20 0 EHADRM Cc1c(NC(=O)NC2(c3ccccc3F)CC2)cccc1C(=O)[O-] ZINC000738305268 600275590 /nfs/dbraw/zinc/27/55/90/600275590.db2.gz XXIVWUSQLGIEHG-UHFFFAOYSA-N -1 0 328.343 3.643 20 0 EHADRM CCc1ccc(CCNC(=O)Nc2cccc(NC(=O)[O-])c2)cc1 ZINC000737265429 600276057 /nfs/dbraw/zinc/27/60/57/600276057.db2.gz PJMJDQYTVUOMHS-UHFFFAOYSA-N -1 0 327.384 3.703 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2cc3ccc(Cl)cc3[nH]2)c2ccccc21 ZINC000192942498 600277276 /nfs/dbraw/zinc/27/72/76/600277276.db2.gz PRBCLADXKTXAJU-ZDUSSCGKSA-N -1 0 340.766 3.650 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N2CC[C@@H](c3ccco3)C2)c1 ZINC000740073931 600281936 /nfs/dbraw/zinc/28/19/36/600281936.db2.gz ANFOIFZWMGHKBQ-SNVBAGLBSA-N -1 0 334.759 3.653 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)NCCCNc2ccccc2)c1 ZINC000739417184 600287026 /nfs/dbraw/zinc/28/70/26/600287026.db2.gz UPRQIOVIJWFIJV-UHFFFAOYSA-N -1 0 347.802 3.662 20 0 EHADRM O=C([O-])CCCc1nc(CN2CCCCC[C@H]2c2ccccc2)no1 ZINC000652403593 600290181 /nfs/dbraw/zinc/29/01/81/600290181.db2.gz ZRQKZRWFKAQSQO-INIZCTEOSA-N -1 0 343.427 3.594 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000739983418 600291963 /nfs/dbraw/zinc/29/19/63/600291963.db2.gz AWRPXULSPMTZGV-VXGBXAGGSA-N -1 0 344.333 3.761 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736928505 600293412 /nfs/dbraw/zinc/29/34/12/600293412.db2.gz KLHMPKQWJRHHHX-MRXNPFEDSA-N -1 0 344.436 3.964 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(C(=O)N[C@@H](C(=O)[O-])C(C)C)cc1F ZINC000236713435 600303449 /nfs/dbraw/zinc/30/34/49/600303449.db2.gz LCNDVSQDHFFAEU-QGZVFWFLSA-N -1 0 347.361 3.779 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)c1ccc(-c2ccc(F)cc2C)c(F)c1 ZINC000236946590 600303594 /nfs/dbraw/zinc/30/35/94/600303594.db2.gz RISSRJKURFQOBR-UHFFFAOYSA-N -1 0 347.361 3.877 20 0 EHADRM CC(C)n1ncc2cc(NC(=O)c3ccc(C(=O)[O-])s3)ccc21 ZINC000736539487 600311513 /nfs/dbraw/zinc/31/15/13/600311513.db2.gz GEJIEJGBKKXGBO-UHFFFAOYSA-N -1 0 329.381 3.629 20 0 EHADRM Cc1[nH]c(C(=O)Nc2ccc3c(cnn3C(C)C)c2)c(C)c1C(=O)[O-] ZINC000738156042 600312675 /nfs/dbraw/zinc/31/26/75/600312675.db2.gz JWLBQYPVVSAXKP-UHFFFAOYSA-N -1 0 340.383 3.513 20 0 EHADRM O=C([O-])c1occc1CN[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000740281637 600318421 /nfs/dbraw/zinc/31/84/21/600318421.db2.gz NTIWKBUEGSPAAF-KRWDZBQOSA-N -1 0 325.339 3.996 20 0 EHADRM Cc1ccc(CC(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1C ZINC000738584965 600321248 /nfs/dbraw/zinc/32/12/48/600321248.db2.gz OBJROHQYCUBOKJ-KRWDZBQOSA-N -1 0 332.783 3.868 20 0 EHADRM Cc1cc(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)oc1C(=O)[O-] ZINC000652421198 600321365 /nfs/dbraw/zinc/32/13/65/600321365.db2.gz DRSIFVCHUFWKEO-UHFFFAOYSA-N -1 0 345.239 3.603 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccc(F)cc1F)c1cccc(Cl)c1 ZINC000740298300 600321862 /nfs/dbraw/zinc/32/18/62/600321862.db2.gz KAUSVLFCHGENOD-CYBMUJFWSA-N -1 0 326.682 3.601 20 0 EHADRM O=C([O-])[C@H](OC(=O)/C=C\c1ccccc1F)c1cccc(Cl)c1 ZINC000739216497 600323397 /nfs/dbraw/zinc/32/33/97/600323397.db2.gz SLOCJAUBQSUPKI-HLRDLLSLSA-N -1 0 334.730 3.861 20 0 EHADRM CC1(C)Cc2cc(CNc3ccc(CNC(=O)[O-])cc3)ccc2O1 ZINC000736737310 600328710 /nfs/dbraw/zinc/32/87/10/600328710.db2.gz PHSUBKWUWGTGSX-UHFFFAOYSA-N -1 0 326.396 3.780 20 0 EHADRM CC(C)(CNC(=O)Nc1cccc(C(=O)[O-])c1)Cc1ccccc1 ZINC000736322083 600329554 /nfs/dbraw/zinc/32/95/54/600329554.db2.gz OLAGNNLAQLJWPL-UHFFFAOYSA-N -1 0 326.396 3.775 20 0 EHADRM C[C@@H](Cc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000736625153 600329689 /nfs/dbraw/zinc/32/96/89/600329689.db2.gz CTFCRYGVQLPYAV-BLLLJJGKSA-N -1 0 332.783 3.888 20 0 EHADRM CN(Cc1ccc(NC(=O)Nc2nc(C3CC3)cs2)cc1)C(=O)[O-] ZINC000737480406 600330207 /nfs/dbraw/zinc/33/02/07/600330207.db2.gz NDBZHMVDVGVGQY-UHFFFAOYSA-N -1 0 346.412 3.774 20 0 EHADRM C[C@@H]1CCC[C@H](OCC(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC000736782671 600330409 /nfs/dbraw/zinc/33/04/09/600330409.db2.gz VYMQKRSUGKNYDL-DIOULYMOSA-N -1 0 340.803 3.604 20 0 EHADRM Cc1cc(CN2[C@H](C)CO[C@H](c3ccccc3)[C@H]2C)oc1C(=O)[O-] ZINC000738382842 600332268 /nfs/dbraw/zinc/33/22/68/600332268.db2.gz MIROAUDWGXZFFX-LBTNJELSSA-N -1 0 329.396 3.637 20 0 EHADRM Cc1cc(CN2[C@H](C)CO[C@H](c3ccccc3)[C@@H]2C)oc1C(=O)[O-] ZINC000738382840 600332439 /nfs/dbraw/zinc/33/24/39/600332439.db2.gz MIROAUDWGXZFFX-GLJUWKHASA-N -1 0 329.396 3.637 20 0 EHADRM COc1cc(C)ccc1NC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000737866620 600338118 /nfs/dbraw/zinc/33/81/18/600338118.db2.gz CEJLXSAQZSUTAY-UHFFFAOYSA-N -1 0 343.383 3.757 20 0 EHADRM Cc1cc(C)c(CNC(=O)Nc2ccc(CNC(=O)[O-])cc2)c(C)c1 ZINC000738355605 600348427 /nfs/dbraw/zinc/34/84/27/600348427.db2.gz KOABFUFYFZCVLO-UHFFFAOYSA-N -1 0 341.411 3.701 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000739987542 600349667 /nfs/dbraw/zinc/34/96/67/600349667.db2.gz CBFLMVVZVWRXMY-QGZVFWFLSA-N -1 0 339.395 3.653 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC000739987451 600356025 /nfs/dbraw/zinc/35/60/25/600356025.db2.gz AQLHLHWXAKTNDJ-HLLBOEOZSA-N -1 0 345.443 3.935 20 0 EHADRM Cc1cc(NC(=O)CCCOCc2ccccc2)sc1C(=O)[O-] ZINC000738420690 600370731 /nfs/dbraw/zinc/37/07/31/600370731.db2.gz HSSRKOHCSRCQRS-UHFFFAOYSA-N -1 0 333.409 3.690 20 0 EHADRM COc1ccccc1C/C(C)=C\C(=O)Nc1cc(C)c(C(=O)[O-])s1 ZINC000738123301 600372416 /nfs/dbraw/zinc/37/24/16/600372416.db2.gz DAECHQWVHKSMFS-LUAWRHEFSA-N -1 0 345.420 3.891 20 0 EHADRM C[C@H](C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)c1cccs1 ZINC000736217081 600373337 /nfs/dbraw/zinc/37/33/37/600373337.db2.gz UYHJIAFBDUTTCV-LBPRGKRZSA-N -1 0 344.436 3.789 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OC(=O)Cc1csc(-c2ccoc2)n1 ZINC000738539937 600375387 /nfs/dbraw/zinc/37/53/87/600375387.db2.gz ITMONFDOVJJLHY-UHFFFAOYSA-N -1 0 343.360 3.558 20 0 EHADRM C[C@H](CC(=O)N(C)C(C)(C)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000262497153 600378436 /nfs/dbraw/zinc/37/84/36/600378436.db2.gz XRDHTXZABOFJJV-SNVBAGLBSA-N -1 0 331.334 3.521 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1cc(Cl)ccc1OC)c1ccccc1 ZINC000736851787 600379176 /nfs/dbraw/zinc/37/91/76/600379176.db2.gz KTYIKYFHDYYRBF-HNNXBMFYSA-N -1 0 347.798 3.859 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc2cc(F)ccc2o1)c1cccs1 ZINC000238002094 600380941 /nfs/dbraw/zinc/38/09/41/600380941.db2.gz RXNDUMMUAOLXDS-NSHDSACASA-N -1 0 333.340 3.579 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)NC[C@H]2CCc3ccccc32)c1 ZINC000740043017 600381225 /nfs/dbraw/zinc/38/12/25/600381225.db2.gz NUGCOBAMHOLEHQ-CYBMUJFWSA-N -1 0 325.368 3.628 20 0 EHADRM CC[C@](C)(NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccccc1 ZINC000736861871 600382000 /nfs/dbraw/zinc/38/20/00/600382000.db2.gz SMMWKOPOTLKQPE-SFHVURJKSA-N -1 0 330.359 3.971 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)C[C@H]1CCOc2ccccc21 ZINC000739223184 600382044 /nfs/dbraw/zinc/38/20/44/600382044.db2.gz QTAIYERALHRENJ-LLVKDONJSA-N -1 0 345.782 3.933 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)NC(C)(C)CCC(=O)[O-] ZINC000237567916 600384353 /nfs/dbraw/zinc/38/43/53/600384353.db2.gz AGBWNJGMOBUTDP-JTQLQIEISA-N -1 0 329.849 3.580 20 0 EHADRM CCSc1cc(C(=O)N(c2ccccc2)[C@H](CC)C(=O)[O-])ccn1 ZINC000737232055 600386168 /nfs/dbraw/zinc/38/61/68/600386168.db2.gz WDRAPRBGOUARSY-OAHLLOKOSA-N -1 0 344.436 3.704 20 0 EHADRM CC(C)Oc1ccc(C(=O)NCCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000736486288 600387744 /nfs/dbraw/zinc/38/77/44/600387744.db2.gz OXBANIQCSZSCFB-UHFFFAOYSA-N -1 0 342.395 3.536 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)CCc1cccc(F)c1F)c1ccccc1 ZINC000736854049 600388864 /nfs/dbraw/zinc/38/88/64/600388864.db2.gz WXTAMUNYBRTDQL-INIZCTEOSA-N -1 0 347.361 3.794 20 0 EHADRM Cc1cccc(-c2ccc(CNC(=O)[C@@H](NC(=O)[O-])C(C)C)cc2)c1 ZINC000738680432 600390963 /nfs/dbraw/zinc/39/09/63/600390963.db2.gz HGEMXWUJWYLKQM-SFHVURJKSA-N -1 0 340.423 3.570 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccc(F)cc1 ZINC000736598247 600403453 /nfs/dbraw/zinc/40/34/53/600403453.db2.gz KDAIOHOGFZFCFY-JTQLQIEISA-N -1 0 334.322 3.588 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)c2cc3ccccn3c2)c1 ZINC000123486750 600408360 /nfs/dbraw/zinc/40/83/60/600408360.db2.gz DQZQEYNYIWZYIW-UHFFFAOYSA-N -1 0 340.404 3.509 20 0 EHADRM CC(C)[C@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736393835 600409195 /nfs/dbraw/zinc/40/91/95/600409195.db2.gz CNIBRGBPBIFVLM-GFCCVEGCSA-N -1 0 342.342 3.639 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000237545083 600411691 /nfs/dbraw/zinc/41/16/91/600411691.db2.gz HUHMRDVPAOCVQK-QWHCGFSZSA-N -1 0 329.421 3.773 20 0 EHADRM CC[C@H]1c2ccccc2CCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000678993146 600411769 /nfs/dbraw/zinc/41/17/69/600411769.db2.gz XKZZGAWWZZJBEC-IBGZPJMESA-N -1 0 337.419 3.853 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)O[C@H]1CCc2c1cccc2Cl ZINC000736428874 600422170 /nfs/dbraw/zinc/42/21/70/600422170.db2.gz WMCDZBQQTDFBIJ-KGLIPLIRSA-N -1 0 325.792 3.553 20 0 EHADRM CC[C@H](c1nn(CN(CC)CCC(=O)[O-])c(=S)o1)c1ccccc1 ZINC000736929052 600422347 /nfs/dbraw/zinc/42/23/47/600422347.db2.gz NOFLGKNHGUPULS-AWEZNQCLSA-N -1 0 349.456 3.502 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)[C@H]2C[C@H]2c2cccc3ccccc32)c1 ZINC000740242907 600429149 /nfs/dbraw/zinc/42/91/49/600429149.db2.gz WCULOWTVYAKMDD-IRXDYDNUSA-N -1 0 332.359 3.675 20 0 EHADRM O=C([O-])[C@H](Nc1ccc2c(c1)CCCC(=O)N2)c1cccc(Cl)c1 ZINC000740303291 600435359 /nfs/dbraw/zinc/43/53/59/600435359.db2.gz GWXCECCPKQWIPB-QGZVFWFLSA-N -1 0 344.798 3.853 20 0 EHADRM CC(C)Oc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000736491071 600442226 /nfs/dbraw/zinc/44/22/26/600442226.db2.gz IJUTTYNOEGQTQX-MRXNPFEDSA-N -1 0 332.327 3.596 20 0 EHADRM Cc1ccc(SCCC(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000738667814 600443751 /nfs/dbraw/zinc/44/37/51/600443751.db2.gz ITLDAXVVFDGLMR-KRWDZBQOSA-N -1 0 348.395 3.985 20 0 EHADRM O=C([O-])[C@@H](OC(=O)CCc1cccc(Cl)c1)c1ccc(F)cc1 ZINC000739260797 600449693 /nfs/dbraw/zinc/44/96/93/600449693.db2.gz MSAAQDNSFKFWSQ-INIZCTEOSA-N -1 0 336.746 3.781 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cnc(Cl)c(Cl)c1)c1ccc(F)cc1 ZINC000740289652 600449791 /nfs/dbraw/zinc/44/97/91/600449791.db2.gz GBTAOONWVNDXLK-NSHDSACASA-N -1 0 344.125 3.510 20 0 EHADRM CC(C)[C@H](CNC(=O)CCC(=O)[O-])Cc1ccc(Cl)cc1Cl ZINC000736354724 600449844 /nfs/dbraw/zinc/44/98/44/600449844.db2.gz ZYVOJGIYVUCFBT-LBPRGKRZSA-N -1 0 346.254 3.789 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)c2noc3c2CCCC3)s1 ZINC000736294796 600451538 /nfs/dbraw/zinc/45/15/38/600451538.db2.gz RUQVQVUBPAJFGA-UHFFFAOYSA-N -1 0 348.424 3.863 20 0 EHADRM Cc1cc(C)n([C@@H](C)C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])n1 ZINC000738370585 600451764 /nfs/dbraw/zinc/45/17/64/600451764.db2.gz FEYLWYMPPSMFPC-NSHDSACASA-N -1 0 349.456 3.757 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736622869 600453760 /nfs/dbraw/zinc/45/37/60/600453760.db2.gz VYGUHLIKWGDXMI-ZBEGNZNMSA-N -1 0 334.318 3.513 20 0 EHADRM C[C@@H]1CCCCCN1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000736784649 600454290 /nfs/dbraw/zinc/45/42/90/600454290.db2.gz LZPHYQAEEQQQKQ-CQSZACIVSA-N -1 0 345.443 3.781 20 0 EHADRM CC(C)(CNC(=O)Nc1cccc(NC(=O)[O-])c1)c1cccs1 ZINC000736321821 600455200 /nfs/dbraw/zinc/45/52/00/600455200.db2.gz JMZMZCYQLRHBFJ-UHFFFAOYSA-N -1 0 333.413 3.937 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(C(=O)[O-])cc1F)c1cccs1 ZINC000390847484 600455951 /nfs/dbraw/zinc/45/59/51/600455951.db2.gz GRLVKSQRYPJEIC-UHFFFAOYSA-N -1 0 336.388 3.685 20 0 EHADRM Cc1cccc(-c2ccc(CNC(=O)NCCCCC(=O)[O-])cc2)c1 ZINC000666530049 600465280 /nfs/dbraw/zinc/46/52/80/600465280.db2.gz VEZLRBXKBKSNFY-UHFFFAOYSA-N -1 0 340.423 3.716 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OC(=O)[C@H]1CSc2ccccc21 ZINC000740076345 600475392 /nfs/dbraw/zinc/47/53/92/600475392.db2.gz WYQFRRFDUAOKOS-LBPRGKRZSA-N -1 0 334.780 3.833 20 0 EHADRM Cc1c(NC(=O)N2CCc3cccc(F)c3[C@@H]2C)cccc1C(=O)[O-] ZINC000738303731 600475883 /nfs/dbraw/zinc/47/58/83/600475883.db2.gz IDROMYLZTAZFPC-LBPRGKRZSA-N -1 0 342.370 3.984 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=S)Nc2ccc(F)cc2)cc1 ZINC000739686827 600476255 /nfs/dbraw/zinc/47/62/55/600476255.db2.gz BRBNXXJTLHGDTA-UHFFFAOYSA-N -1 0 348.399 3.878 20 0 EHADRM CC[C@@H](C)[C@@H]1CCCCN1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000736880362 600476374 /nfs/dbraw/zinc/47/63/74/600476374.db2.gz OWNAQRRNQPSCOZ-CJNGLKHVSA-N -1 0 334.416 3.583 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000736904688 600477418 /nfs/dbraw/zinc/47/74/18/600477418.db2.gz XKXQBORXXGFNMQ-AEFFLSMTSA-N -1 0 325.408 3.588 20 0 EHADRM C[C@H](OCc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000237585469 600478301 /nfs/dbraw/zinc/47/83/01/600478301.db2.gz XXROVYKOHIZBHO-NSHDSACASA-N -1 0 333.771 3.582 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)N3CCC[C@H](C(=O)[O-])C3)cc2s1 ZINC000263456078 600479445 /nfs/dbraw/zinc/47/94/45/600479445.db2.gz CDCUIGWWFWETQF-NSHDSACASA-N -1 0 347.440 3.748 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)[C@H]2C[C@H]2c2cccc3ccccc32)o1 ZINC000345910521 600479507 /nfs/dbraw/zinc/47/95/07/600479507.db2.gz UJVOIDCKSSUWQS-IRXDYDNUSA-N -1 0 335.359 3.551 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000237549916 600480414 /nfs/dbraw/zinc/48/04/14/600480414.db2.gz UDIQJRYQGGSKKD-OAHLLOKOSA-N -1 0 341.407 3.748 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000417748228 600481105 /nfs/dbraw/zinc/48/11/05/600481105.db2.gz DLQNNKLWDOWHBC-UHFFFAOYSA-N -1 0 336.285 3.611 20 0 EHADRM Cc1ccccc1CCC(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000237722505 600482416 /nfs/dbraw/zinc/48/24/16/600482416.db2.gz ODBWEAZTKIYMQA-UHFFFAOYSA-N -1 0 341.407 3.810 20 0 EHADRM C[C@@H](CN(C(=O)c1cccc(Nc2ccccc2)c1)C1CC1)C(=O)[O-] ZINC000736566753 600485064 /nfs/dbraw/zinc/48/50/64/600485064.db2.gz YONNSWXYUWXCOZ-AWEZNQCLSA-N -1 0 338.407 3.756 20 0 EHADRM CC(C)(C)c1ccc2cc(C(=O)NCc3ccc(C(=O)[O-])o3)[nH]c2c1 ZINC000570835900 600496283 /nfs/dbraw/zinc/49/62/83/600496283.db2.gz XNWNKRJDOBLJAH-UHFFFAOYSA-N -1 0 340.379 3.687 20 0 EHADRM O=C([O-])[C@H](Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)c1ccccc1 ZINC000738523337 600502669 /nfs/dbraw/zinc/50/26/69/600502669.db2.gz AWZNQLUUWAHZCO-IPMKNSEASA-N -1 0 341.407 3.607 20 0 EHADRM Cc1cc(CNC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)ccc1F ZINC000738390321 600508554 /nfs/dbraw/zinc/50/85/54/600508554.db2.gz XXDUVOGNIHMEQJ-UHFFFAOYSA-N -1 0 336.750 3.807 20 0 EHADRM Cc1cccc(N(CC(=O)[O-])C(=O)c2cc3cc(Cl)ccc3o2)n1 ZINC000738722119 600527406 /nfs/dbraw/zinc/52/74/06/600527406.db2.gz JFYVNYUEAWHEJG-UHFFFAOYSA-N -1 0 344.754 3.521 20 0 EHADRM C/C(=C\C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC000736122284 600529470 /nfs/dbraw/zinc/52/94/70/600529470.db2.gz YZZUKXDJTQAZHQ-HBWSCVEGSA-N -1 0 343.345 3.724 20 0 EHADRM Cc1ccc(NC(=O)[C@H](NC(=O)[O-])C(C)C)cc1OCCC(C)C ZINC000738613399 600531492 /nfs/dbraw/zinc/53/14/92/600531492.db2.gz AQQQIJIZMXSMMD-MRXNPFEDSA-N -1 0 336.432 3.651 20 0 EHADRM CCN(C(=O)[C@H]1C[C@H]1c1ccc(F)cc1)c1ccccc1C(=O)[O-] ZINC000737052546 600532048 /nfs/dbraw/zinc/53/20/48/600532048.db2.gz KTFMRKFLADUSKT-HOTGVXAUSA-N -1 0 327.355 3.681 20 0 EHADRM COc1ccccc1CC(C)(C)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000237137033 600532157 /nfs/dbraw/zinc/53/21/57/600532157.db2.gz DVDWAALJIYBOED-UHFFFAOYSA-N -1 0 327.380 3.601 20 0 EHADRM Cc1sc(NC(=O)CO[C@@H]2CCC[C@@H](C)C2)c(C(=O)[O-])c1C ZINC000738997257 600532677 /nfs/dbraw/zinc/53/26/77/600532677.db2.gz MQJCIRKDQMOTNW-BXKDBHETSA-N -1 0 325.430 3.597 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)NCc1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000736250671 600533232 /nfs/dbraw/zinc/53/32/32/600533232.db2.gz KZJZTWMFFJQANM-HNNXBMFYSA-N -1 0 344.411 3.955 20 0 EHADRM CCc1ccc([C@H](NC(=O)NCc2ccc(C(=O)[O-])o2)C(C)C)cc1 ZINC000737259533 600533741 /nfs/dbraw/zinc/53/37/41/600533741.db2.gz RFTUBFJQOSFKSB-QGZVFWFLSA-N -1 0 344.411 3.737 20 0 EHADRM C[C@@]1(NC(=O)Nc2ccc(CC(=O)[O-])cc2)CCCc2ccccc21 ZINC000736738875 600542655 /nfs/dbraw/zinc/54/26/55/600542655.db2.gz SPFRJLZZMRBSTJ-HXUWFJFHSA-N -1 0 338.407 3.687 20 0 EHADRM CC(C)(C)[C@H](NC(=O)NCc1ccc(C(=O)[O-])o1)c1ccc(F)cc1 ZINC000736242345 600544929 /nfs/dbraw/zinc/54/49/29/600544929.db2.gz JZYOUZDRNZNANU-OAHLLOKOSA-N -1 0 348.374 3.704 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N(Cc2cccc(O)c2)CC2CC2)cc1 ZINC000738683633 600548729 /nfs/dbraw/zinc/54/87/29/600548729.db2.gz PQDHXADUNBXNBI-UHFFFAOYSA-N -1 0 340.379 3.535 20 0 EHADRM O=C([O-])C1CCN(C(=O)Nc2ccccc2Cc2ccccc2)CC1 ZINC000261718594 600554902 /nfs/dbraw/zinc/55/49/02/600554902.db2.gz QIRZQUGEKTYHKN-UHFFFAOYSA-N -1 0 338.407 3.606 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)N(CCC(=O)[O-])C(C)C ZINC000736885326 600560891 /nfs/dbraw/zinc/56/08/91/600560891.db2.gz AGDOTNVTUGOBHD-WOLCWHLNSA-N -1 0 333.428 3.589 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000740044757 600567425 /nfs/dbraw/zinc/56/74/25/600567425.db2.gz AQBJFJPRDCFAEB-CQSZACIVSA-N -1 0 346.383 3.883 20 0 EHADRM CN(C(=O)c1ccccc1NC(=O)[O-])C1C2CC3CC(C2)CC1C3 ZINC000737341725 600570689 /nfs/dbraw/zinc/57/06/89/600570689.db2.gz RCEPRARMNBEUAW-UHFFFAOYSA-N -1 0 328.412 3.673 20 0 EHADRM Cc1ccoc1C(=O)Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1 ZINC000738800334 600572742 /nfs/dbraw/zinc/57/27/42/600572742.db2.gz SODGZHKIVIXICM-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)NCC1(c2ccc(Cl)cc2)CC1 ZINC000740046803 600578089 /nfs/dbraw/zinc/57/80/89/600578089.db2.gz QRRVREQMPAZJMR-UHFFFAOYSA-N -1 0 344.798 3.892 20 0 EHADRM COc1cc(Br)c(CS[C@H](C)CC(=O)[O-])cc1OC ZINC000737846422 600582405 /nfs/dbraw/zinc/58/24/05/600582405.db2.gz YYNIUYKKRJWAFW-MRVPVSSYSA-N -1 0 349.246 3.563 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)c1cc2occc2s1)C(=O)[O-] ZINC000736582458 600585719 /nfs/dbraw/zinc/58/57/19/600585719.db2.gz IASBUWOJHQSHKG-GFCCVEGCSA-N -1 0 343.404 3.857 20 0 EHADRM CN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737312530 600589927 /nfs/dbraw/zinc/58/99/27/600589927.db2.gz DMZIANHAMCBYML-HZSPNIEDSA-N -1 0 343.345 3.639 20 0 EHADRM C[C@@H](CC(=O)[O-])SCC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000736552412 600590021 /nfs/dbraw/zinc/59/00/21/600590021.db2.gz MVPVMSHHADQDFA-SCLBCKFNSA-N -1 0 335.469 3.631 20 0 EHADRM CN(C(=O)C[C@@H]1CCCc2ccccc21)[C@H](C(=O)[O-])c1ccccc1 ZINC000737317284 600593299 /nfs/dbraw/zinc/59/32/99/600593299.db2.gz GOHHUJPDLKBLQG-PXNSSMCTSA-N -1 0 337.419 3.781 20 0 EHADRM C[C@H](CN(C)C(=O)/C(=C/c1ccc(F)cc1)c1cccs1)C(=O)[O-] ZINC000736570889 600595232 /nfs/dbraw/zinc/59/52/32/600595232.db2.gz FQPPBUBRJJJFHC-JXCQQFQQSA-N -1 0 347.411 3.607 20 0 EHADRM CC(C)[C@H](SC[C@H](C)C(=O)[O-])C(=O)Nc1cccc2ncccc21 ZINC000736607720 600597386 /nfs/dbraw/zinc/59/73/86/600597386.db2.gz WOCBHVBKQFUMKL-LRDDRELGSA-N -1 0 346.452 3.652 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000738253902 600597739 /nfs/dbraw/zinc/59/77/39/600597739.db2.gz UGZDAEPEXKERQU-OAHLLOKOSA-N -1 0 341.338 3.778 20 0 EHADRM CCC/C=C/C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000736976311 600598970 /nfs/dbraw/zinc/59/89/70/600598970.db2.gz ZHMIXEQGDWMYHO-SXIQUOTHSA-N -1 0 325.408 3.556 20 0 EHADRM Cc1ccc(CCCCC(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000738589209 600600524 /nfs/dbraw/zinc/60/05/24/600600524.db2.gz KMYYWISVLXRRMV-HXUWFJFHSA-N -1 0 339.435 3.992 20 0 EHADRM C[C@@H](CSCc1csc(COc2ccc(F)cc2)n1)C(=O)[O-] ZINC000736619305 600600766 /nfs/dbraw/zinc/60/07/66/600600766.db2.gz YKCASZGOOHGHIU-JTQLQIEISA-N -1 0 341.429 3.815 20 0 EHADRM CC1(C(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])CCCC1 ZINC000486393270 600603702 /nfs/dbraw/zinc/60/37/02/600603702.db2.gz JJOPZJLEWNEWMS-GOSISDBHSA-N -1 0 339.435 3.780 20 0 EHADRM Cc1ccc(C(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])cc1 ZINC000237633161 600604471 /nfs/dbraw/zinc/60/44/71/600604471.db2.gz OINUVJQPMXZMHE-FQEVSTJZSA-N -1 0 347.414 3.822 20 0 EHADRM O=C([O-])CN(C(=O)CCCCCc1cccs1)c1ccccc1 ZINC000337755895 600605151 /nfs/dbraw/zinc/60/51/51/600605151.db2.gz SJGOKUKOEFIHEU-UHFFFAOYSA-N -1 0 331.437 3.969 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C[C@H]1CCc2ccccc21)c1ccc(F)cc1 ZINC000675948176 600608692 /nfs/dbraw/zinc/60/86/92/600608692.db2.gz VBLBUJWIYYZEHJ-CRAIPNDOSA-N -1 0 341.382 3.578 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N(C)[C@@H](C)c3cccnc3)c12 ZINC000738362868 600611232 /nfs/dbraw/zinc/61/12/32/600611232.db2.gz SWOYUXBIAUXABZ-JTQLQIEISA-N -1 0 342.424 3.599 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)c2ccccc2N2CCCCC2)cc1 ZINC000739883010 600616320 /nfs/dbraw/zinc/61/63/20/600616320.db2.gz BBFCYBBXXJAQSU-UHFFFAOYSA-N -1 0 339.391 3.523 20 0 EHADRM O=C([O-])c1ccc2ccccc2c1OC(=O)[C@@H]1COc2ccccc21 ZINC000740204161 600616640 /nfs/dbraw/zinc/61/66/40/600616640.db2.gz UTJGFYXXRRXPNG-MRXNPFEDSA-N -1 0 334.327 3.620 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)COc2ccccc2Cl)c1 ZINC000317422110 600620628 /nfs/dbraw/zinc/62/06/28/600620628.db2.gz ODAKKNBPWUDWNI-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM COc1ccccc1CCC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000322822770 600624305 /nfs/dbraw/zinc/62/43/05/600624305.db2.gz CTMQPSZJYLTPIG-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)CSc2ccc(F)cc2)c1 ZINC000317334964 600625671 /nfs/dbraw/zinc/62/56/71/600625671.db2.gz XONMDECAPWRDPV-UHFFFAOYSA-N -1 0 339.775 3.908 20 0 EHADRM COc1ccc(C)cc1CC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000322708265 600625701 /nfs/dbraw/zinc/62/57/01/600625701.db2.gz NTABXBPJDWTBIZ-UHFFFAOYSA-N -1 0 333.771 3.536 20 0 EHADRM Cc1cc(OCC(=O)N(c2ccccc2)C(C)C)c(C(=O)[O-])s1 ZINC000320480344 600639004 /nfs/dbraw/zinc/63/90/04/600639004.db2.gz SFWUYVFTEPTAPH-UHFFFAOYSA-N -1 0 333.409 3.575 20 0 EHADRM C[C@@H](CCC1CCCCC1)NC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000736562861 600641706 /nfs/dbraw/zinc/64/17/06/600641706.db2.gz NYSBBCWGTBGHKA-NSHDSACASA-N -1 0 339.461 3.641 20 0 EHADRM C[C@H]1CCc2[nH]c3ccc(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)cc3c2C1 ZINC000736802708 600642300 /nfs/dbraw/zinc/64/23/00/600642300.db2.gz PXYOBAJKINBFMV-APPDUMDISA-N -1 0 342.439 3.522 20 0 EHADRM O=C([O-])[C@H](CNC(=O)Nc1ccccc1)Cc1ccc2ccccc2c1 ZINC000739409722 600652635 /nfs/dbraw/zinc/65/26/35/600652635.db2.gz VCAVISBUISLRJL-SFHVURJKSA-N -1 0 348.402 3.905 20 0 EHADRM CCc1ccc([C@H](NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)C(C)C)cc1 ZINC000392270689 600652945 /nfs/dbraw/zinc/65/29/45/600652945.db2.gz HRFDWNNLIMOSSB-RCCFBDPRSA-N -1 0 331.456 3.953 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N(Cc2ccco2)Cc2cccs2)C1 ZINC000183962544 600655135 /nfs/dbraw/zinc/65/51/35/600655135.db2.gz QGMOXYBEFXYNLZ-ZIAGYGMSSA-N -1 0 347.436 3.761 20 0 EHADRM C[C@]1(C(=O)O[C@H](C(=O)[O-])c2ccccc2F)CCCc2ccccc21 ZINC000828035653 600655423 /nfs/dbraw/zinc/65/54/23/600655423.db2.gz VPSLHGMOPSEOIQ-PXNSSMCTSA-N -1 0 342.366 3.789 20 0 EHADRM CCC(C)(C)C(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000828603240 600656619 /nfs/dbraw/zinc/65/66/19/600656619.db2.gz GABIPNYXENWWED-UHFFFAOYSA-N -1 0 333.409 3.988 20 0 EHADRM Cc1cccc2[nH]cc(CC(=O)O[C@@H](C(=O)[O-])c3ccccc3F)c21 ZINC000832976511 600660777 /nfs/dbraw/zinc/66/07/77/600660777.db2.gz ZTZDTNYGXJPZEP-GOSISDBHSA-N -1 0 341.338 3.527 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@@H](C(=O)[O-])c2cccs2)cc1 ZINC000448993640 600661080 /nfs/dbraw/zinc/66/10/80/600661080.db2.gz NSIMXVIJZSWCIL-YQQAZPJKSA-N -1 0 343.448 3.917 20 0 EHADRM CSc1ccc(O[C@H](C)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000532002079 600662540 /nfs/dbraw/zinc/66/25/40/600662540.db2.gz OGAUAUNUIIXYQB-GFCCVEGCSA-N -1 0 345.420 3.821 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cc(Cl)cc2cccnc21)c1ccccc1 ZINC000833350410 600669848 /nfs/dbraw/zinc/66/98/48/600669848.db2.gz LHWJUYNEBKPTFJ-MRXNPFEDSA-N -1 0 341.750 3.871 20 0 EHADRM O=C([O-])c1ccc(NCc2cccc(OCC(F)(F)F)c2)cc1 ZINC000738683866 600675233 /nfs/dbraw/zinc/67/52/33/600675233.db2.gz CEARMRPUYWPRCZ-UHFFFAOYSA-N -1 0 325.286 3.938 20 0 EHADRM O=C([O-])c1cc(NCc2ccc(Br)s2)ccc1F ZINC000037088524 600675742 /nfs/dbraw/zinc/67/57/42/600675742.db2.gz LRKWOKVWROCLAC-UHFFFAOYSA-N -1 0 330.178 3.960 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)c1ccc(SC(F)F)cc1 ZINC000739896871 600676739 /nfs/dbraw/zinc/67/67/39/600676739.db2.gz YHXCKUOVMFMPMA-UHFFFAOYSA-N -1 0 338.331 3.848 20 0 EHADRM O=C([O-])[C@@H](OC(=O)C[C@H]1CCc2ccccc21)c1ccccc1F ZINC000833097153 600677988 /nfs/dbraw/zinc/67/79/88/600677988.db2.gz HKASFARPAOOHMA-ACJLOTCBSA-N -1 0 328.339 3.615 20 0 EHADRM Cc1ccc(C)c(NC(=O)CNc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000738572937 600680979 /nfs/dbraw/zinc/68/09/79/600680979.db2.gz BNEUIYCUIJOCCE-UHFFFAOYSA-N -1 0 340.423 3.716 20 0 EHADRM Cc1cc(C)cc(NC(=O)CNc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000738363572 600681087 /nfs/dbraw/zinc/68/10/87/600681087.db2.gz GDGMWQCHVPNGNF-UHFFFAOYSA-N -1 0 340.423 3.716 20 0 EHADRM CCCCc1nc(CNc2ccc(C(=O)OC)c(C(=O)[O-])c2)cs1 ZINC000737004165 600683459 /nfs/dbraw/zinc/68/34/59/600683459.db2.gz NJYNYLZMUZJDCU-UHFFFAOYSA-N -1 0 348.424 3.583 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000262388648 600696256 /nfs/dbraw/zinc/69/62/56/600696256.db2.gz FHTNWQSXHLDISV-OKZBNKHCSA-N -1 0 341.451 3.627 20 0 EHADRM CCO[C@@H](C)c1ncc(-c2nc(-c3cccc(C(=O)[O-])c3)no2)s1 ZINC000829901539 600697594 /nfs/dbraw/zinc/69/75/94/600697594.db2.gz ONXRMQCOHSGMDS-VIFPVBQESA-N -1 0 345.380 3.656 20 0 EHADRM O=C([O-])c1cccc(OCCOC(=O)c2cc3cccc(F)c3o2)c1 ZINC000833331665 600699630 /nfs/dbraw/zinc/69/96/30/600699630.db2.gz BYXDGBQCRKWWPF-UHFFFAOYSA-N -1 0 344.294 3.506 20 0 EHADRM CCSc1cc(-c2nc(-c3cccc(C(=O)[O-])c3)no2)ccn1 ZINC000830169071 600701358 /nfs/dbraw/zinc/70/13/58/600701358.db2.gz NMWFNPDXKPJGRQ-UHFFFAOYSA-N -1 0 327.365 3.609 20 0 EHADRM CCCN(C(=O)c1ccc(C(=O)[O-])s1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000236743195 600701507 /nfs/dbraw/zinc/70/15/07/600701507.db2.gz XUAZUWSNJVNGIQ-KGLIPLIRSA-N -1 0 339.457 3.502 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000237048571 600701805 /nfs/dbraw/zinc/70/18/05/600701805.db2.gz YSOMZSXISCGKTR-KNQAVFIVSA-N -1 0 349.430 3.637 20 0 EHADRM Cc1cc2cc(C(=O)Nc3cccc(C(=O)[O-])c3O)oc2cc1C ZINC000832905687 600706884 /nfs/dbraw/zinc/70/68/84/600706884.db2.gz KRCDPVZLQRZCKI-UHFFFAOYSA-N -1 0 325.320 3.706 20 0 EHADRM CCCCN([C@@H](C)CC)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000829373460 600709855 /nfs/dbraw/zinc/70/98/55/600709855.db2.gz XDHLGOVMONZYKK-NSHDSACASA-N -1 0 347.864 3.628 20 0 EHADRM Cc1cc(COC(=O)[C@H]2CCSc3ccccc32)oc1C(=O)[O-] ZINC000832884890 600710435 /nfs/dbraw/zinc/71/04/35/600710435.db2.gz HFUSJPGWOATLAT-ZDUSSCGKSA-N -1 0 332.377 3.609 20 0 EHADRM C/C(=C\C(=O)O[C@@H](C(=O)[O-])C(C)C)c1cccc(C(F)(F)F)c1 ZINC000825724236 600713412 /nfs/dbraw/zinc/71/34/12/600713412.db2.gz KQIOSIQFBFUJEH-DNGMOHDESA-N -1 0 330.302 3.761 20 0 EHADRM CCC[C@H]1[C@H](C)CCCN1C(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC000829245925 600717548 /nfs/dbraw/zinc/71/75/48/600717548.db2.gz SOEOFRDNYXLAFN-CJNGLKHVSA-N -1 0 348.443 3.504 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)NCCCCCC(=O)[O-])C1 ZINC000414607960 600722375 /nfs/dbraw/zinc/72/23/75/600722375.db2.gz IKYOUJJTDSFBSF-CZUORRHYSA-N -1 0 336.407 3.563 20 0 EHADRM CC[C@H](NC(=O)Nc1cccc(C(=O)[O-])c1)c1cc(F)ccc1F ZINC000736914129 600728256 /nfs/dbraw/zinc/72/82/56/600728256.db2.gz MQEORNKEDDZITM-HNNXBMFYSA-N -1 0 334.322 3.936 20 0 EHADRM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)NCCCCC(=O)[O-] ZINC000666563238 600729088 /nfs/dbraw/zinc/72/90/88/600729088.db2.gz XNBTULMJSDDCHI-HNNXBMFYSA-N -1 0 332.444 3.814 20 0 EHADRM CSc1ccc(O[C@H](C)C(=O)OCc2cccc(C(=O)[O-])c2)cc1 ZINC000738213465 600734923 /nfs/dbraw/zinc/73/49/23/600734923.db2.gz YNUGTJZLIJVRJD-GFCCVEGCSA-N -1 0 346.404 3.617 20 0 EHADRM O=C([O-])c1coc(COC(=O)c2ccccc2Oc2ccccn2)c1 ZINC000740272878 600735242 /nfs/dbraw/zinc/73/52/42/600735242.db2.gz ZHXDYRXFQSXPQI-UHFFFAOYSA-N -1 0 339.303 3.522 20 0 EHADRM C[C@@H](OC(=O)c1ccc(OC2CCC2)cc1)c1ccc(C(=O)[O-])o1 ZINC000827860680 600735575 /nfs/dbraw/zinc/73/55/75/600735575.db2.gz FMBUUQQNWJIIIM-LLVKDONJSA-N -1 0 330.336 3.827 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H]2C[C@@H]2c2c(F)cccc2Cl)cc1 ZINC000739467390 600742266 /nfs/dbraw/zinc/74/22/66/600742266.db2.gz RUTCOMUPMBYVJK-FZMZJTMJSA-N -1 0 348.761 3.855 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NC2(c3cccc(Cl)c3)CC2)cc1 ZINC000738510787 600742294 /nfs/dbraw/zinc/74/22/94/600742294.db2.gz HZCXYGXXTNOFGS-UHFFFAOYSA-N -1 0 330.771 3.849 20 0 EHADRM O=C([O-])[C@H](N[C@@H]1COc2ccccc21)c1ccc(Cl)cc1Cl ZINC000833167741 600744708 /nfs/dbraw/zinc/74/47/08/600744708.db2.gz PWCXBXMQDSHAPM-UKRRQHHQSA-N -1 0 338.190 3.842 20 0 EHADRM O=C([O-])[C@H](Nc1ccc(Br)c(F)c1)c1ccccc1F ZINC000833169546 600755661 /nfs/dbraw/zinc/75/56/61/600755661.db2.gz UNYCNYDUAOUVJE-CYBMUJFWSA-N -1 0 342.139 3.965 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000736488236 600760366 /nfs/dbraw/zinc/76/03/66/600760366.db2.gz RUUNDXDFXLTONI-GFCCVEGCSA-N -1 0 346.427 3.967 20 0 EHADRM CCCc1c(C(=O)Nc2cc([C@@H](C)CCC)[nH]n2)[nH]c(C)c1C(=O)[O-] ZINC000829562637 600773814 /nfs/dbraw/zinc/77/38/14/600773814.db2.gz NPNFHHYULHGJHR-JTQLQIEISA-N -1 0 346.431 3.853 20 0 EHADRM CC(C)c1ccc(-c2nc(C(=O)NC(C)(C)CC(=O)[O-])cs2)cc1 ZINC000736515713 600776022 /nfs/dbraw/zinc/77/60/22/600776022.db2.gz QRDPQDJSSJVHCG-UHFFFAOYSA-N -1 0 346.452 3.917 20 0 EHADRM CC(C)(CC(=O)[O-])NC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000736312463 600779122 /nfs/dbraw/zinc/77/91/22/600779122.db2.gz MSVFZAKEEDWBLZ-UHFFFAOYSA-N -1 0 343.448 3.962 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000537404419 600784457 /nfs/dbraw/zinc/78/44/57/600784457.db2.gz XISHVLXPXQISNP-UTKZUKDTSA-N -1 0 335.403 3.926 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000537404416 600784538 /nfs/dbraw/zinc/78/45/38/600784538.db2.gz XISHVLXPXQISNP-LAUBAEHRSA-N -1 0 335.403 3.926 20 0 EHADRM CC(C)C[C@H](C)CC(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000236729364 600795342 /nfs/dbraw/zinc/79/53/42/600795342.db2.gz USFDGIOKVBCLOO-ZDUSSCGKSA-N -1 0 341.398 3.840 20 0 EHADRM C[C@H](C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1)c1cccs1 ZINC000776679067 600800882 /nfs/dbraw/zinc/80/08/82/600800882.db2.gz UAZJWUXASKYRED-GXFFZTMASA-N -1 0 337.828 3.837 20 0 EHADRM CCOc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000776672285 600801268 /nfs/dbraw/zinc/80/12/68/600801268.db2.gz IFDWLVVQEXIYDI-MRXNPFEDSA-N -1 0 347.798 3.685 20 0 EHADRM COc1cc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)ccc1C ZINC000776674133 600801841 /nfs/dbraw/zinc/80/18/41/600801841.db2.gz PWLKVJBYJFUEJZ-OAHLLOKOSA-N -1 0 347.798 3.603 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OCc1ccn(-c2ccc(F)cc2)n1 ZINC000833299198 600803404 /nfs/dbraw/zinc/80/34/04/600803404.db2.gz OBHGDTJSVBLDMG-UHFFFAOYSA-N -1 0 346.745 3.942 20 0 EHADRM C[C@@H](Nc1nc(Cl)c(C(=O)[O-])s1)c1cccc(-n2cccn2)c1 ZINC000827773355 600803654 /nfs/dbraw/zinc/80/36/54/600803654.db2.gz JIKJSJRZFBNUCG-SECBINFHSA-N -1 0 348.815 3.854 20 0 EHADRM O=C([O-])c1ccsc1N1CC[C@H](SCC2CCCCC2)C1=O ZINC000833339003 600806328 /nfs/dbraw/zinc/80/63/28/600806328.db2.gz SDXBXARXBWWGIL-ZDUSSCGKSA-N -1 0 339.482 3.865 20 0 EHADRM CC/C(=C\C(=O)Nc1ncc(C(=O)[O-])s1)c1cccc(Cl)c1 ZINC000828550342 600807342 /nfs/dbraw/zinc/80/73/42/600807342.db2.gz UKLJXVFRUJBALV-VQHVLOKHSA-N -1 0 336.800 3.927 20 0 EHADRM CCCCN(c1ccccc1)S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000071792863 600807705 /nfs/dbraw/zinc/80/77/05/600807705.db2.gz QQSSGDCVAQKZCH-UHFFFAOYSA-N -1 0 347.436 3.689 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Nc2cccnc2Cl)cc1 ZINC000826122814 600810722 /nfs/dbraw/zinc/81/07/22/600810722.db2.gz QBJKUVVPRNXXJQ-UHFFFAOYSA-N -1 0 333.775 3.741 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000327428329 600810860 /nfs/dbraw/zinc/81/08/60/600810860.db2.gz MCXDWFTYYPVHHG-UHFFFAOYSA-N -1 0 343.339 3.601 20 0 EHADRM O=C([O-])c1ccc2[nH]c3c(c2c1)CN(c1nccc2occc21)CC3 ZINC000833325813 600811321 /nfs/dbraw/zinc/81/13/21/600811321.db2.gz YFGMZNQHEIACJD-UHFFFAOYSA-N -1 0 333.347 3.570 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Nc1cc(F)c(F)c(F)c1)c1cccs1 ZINC000739628642 600812108 /nfs/dbraw/zinc/81/21/08/600812108.db2.gz VIDDPSZPSAVEAR-JTQLQIEISA-N -1 0 344.314 3.503 20 0 EHADRM Cc1cccc2c(CC(=O)Oc3cc(Cl)ccc3C(=O)[O-])c[nH]c21 ZINC000738747770 600815025 /nfs/dbraw/zinc/81/50/25/600815025.db2.gz JVRRVYHXVPTOCU-UHFFFAOYSA-N -1 0 343.766 3.976 20 0 EHADRM O=C([O-])c1ccc(OCCN2CCc3sccc3C2)c(Cl)c1 ZINC000563278599 600815629 /nfs/dbraw/zinc/81/56/29/600815629.db2.gz UABYCNOOKJWHOP-UHFFFAOYSA-N -1 0 337.828 3.537 20 0 EHADRM C[C@H](CCOc1ccccc1)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000827417546 600817958 /nfs/dbraw/zinc/81/79/58/600817958.db2.gz MGUVBIMHGHRDHA-GFCCVEGCSA-N -1 0 331.343 3.568 20 0 EHADRM Cc1ccc(F)c(NC(=S)N2C[C@H](CC(=O)[O-])c3ccccc32)c1 ZINC000738604405 600820398 /nfs/dbraw/zinc/82/03/98/600820398.db2.gz RAFQSUZWQREDJM-LBPRGKRZSA-N -1 0 344.411 3.909 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)c2c(F)cc(F)cc2F)c1 ZINC000388019855 600825334 /nfs/dbraw/zinc/82/53/34/600825334.db2.gz FEVJYHPWYWSKEA-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM Cc1nc(NC(=O)CCc2c[nH]c3c2cccc3C)sc1C(=O)[O-] ZINC000738360141 600825747 /nfs/dbraw/zinc/82/57/47/600825747.db2.gz KHKPTCPLLWPWMH-UHFFFAOYSA-N -1 0 343.408 3.511 20 0 EHADRM COc1ccc(-c2cnc(CNc3ccc(F)c(C(=O)[O-])c3)o2)cc1 ZINC000832124005 600826061 /nfs/dbraw/zinc/82/60/61/600826061.db2.gz IFDOFFOPJFTJMD-UHFFFAOYSA-N -1 0 342.326 3.800 20 0 EHADRM O=C([O-])NCc1ccc(NCc2ncc(-c3ccccc3F)o2)cc1 ZINC000833281055 600828909 /nfs/dbraw/zinc/82/89/09/600828909.db2.gz VHGDQULGEZEXLX-UHFFFAOYSA-N -1 0 341.342 3.860 20 0 EHADRM CC/C(=C/C(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccc(C)cc1 ZINC000236897671 600831065 /nfs/dbraw/zinc/83/10/65/600831065.db2.gz JAMMWLMDEDYUNM-PTNGSMBKSA-N -1 0 339.391 3.891 20 0 EHADRM O=C([O-])[C@H](Sc1nnc(-c2ccc(F)cc2)o1)c1ccccc1F ZINC000833169206 600832560 /nfs/dbraw/zinc/83/25/60/600832560.db2.gz ILLUAIZHOBUGTG-CYBMUJFWSA-N -1 0 348.330 3.933 20 0 EHADRM O=C([O-])[C@@H](Sc1ccc2c(c1)OCCCO2)c1ccccc1F ZINC000833170232 600833271 /nfs/dbraw/zinc/83/32/71/600833271.db2.gz OPMATZCDELGTEP-INIZCTEOSA-N -1 0 334.368 3.905 20 0 EHADRM Cc1ccc(C)c([C@H]2CN(Cc3cc(C(=O)[O-])co3)[C@H](C)CO2)c1 ZINC000567905932 600835126 /nfs/dbraw/zinc/83/51/26/600835126.db2.gz WZXOQADRVZDMKP-RDTXWAMCSA-N -1 0 329.396 3.557 20 0 EHADRM CCc1ccc(CC(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])cc1 ZINC000485748171 600836279 /nfs/dbraw/zinc/83/62/79/600836279.db2.gz YQNCPXKPHYTIHO-MRXNPFEDSA-N -1 0 339.435 3.541 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N1CCN(Cc2occc2C(=O)[O-])CC1 ZINC000827935643 600837810 /nfs/dbraw/zinc/83/78/10/600837810.db2.gz UHQVFAWKFDTNPF-ZDUSSCGKSA-N -1 0 348.830 3.510 20 0 EHADRM CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000179962996 600838772 /nfs/dbraw/zinc/83/87/72/600838772.db2.gz VCPANEHVNKXMDS-HUUCEWRRSA-N -1 0 337.847 3.968 20 0 EHADRM C[C@H](C(=O)Nc1cccc(CSCCC(=O)[O-])c1)c1ccco1 ZINC000736217676 600838966 /nfs/dbraw/zinc/83/89/66/600838966.db2.gz DEDXVXMQNGUHGW-LBPRGKRZSA-N -1 0 333.409 3.730 20 0 EHADRM CC(C)C[C@H]1CCN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000307816573 600839875 /nfs/dbraw/zinc/83/98/75/600839875.db2.gz KKYNTKQRXFRJCS-SNVBAGLBSA-N -1 0 326.343 3.563 20 0 EHADRM COC(=O)[C@H](C)CS[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000831058810 600839894 /nfs/dbraw/zinc/83/98/94/600839894.db2.gz AWDLDLGLOMLJRU-RDDDGLTNSA-N -1 0 337.224 3.661 20 0 EHADRM COC(=O)[C@@H](S[C@@H](C)CC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000831085153 600840141 /nfs/dbraw/zinc/84/01/41/600840141.db2.gz WWQWCJYAMSQTJV-MADCSZMMSA-N -1 0 337.224 3.804 20 0 EHADRM CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000829075096 600843046 /nfs/dbraw/zinc/84/30/46/600843046.db2.gz MJTFJVLOXMRHDT-IUODEOHRSA-N -1 0 336.457 3.657 20 0 EHADRM C[C@@H](CC(=O)N[C@@](C)(C(=O)[O-])C1CC1)c1ccccc1C(F)(F)F ZINC000237548511 600844481 /nfs/dbraw/zinc/84/44/81/600844481.db2.gz GXWFZMDOIHZQOM-MGPLVRAMSA-N -1 0 343.345 3.569 20 0 EHADRM CCCOc1ccc(CCC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000500634804 600845509 /nfs/dbraw/zinc/84/55/09/600845509.db2.gz NWJZCXCDDADRME-UHFFFAOYSA-N -1 0 327.380 3.745 20 0 EHADRM O=C([O-])[C@@H](Sc1nnc(CCc2ccccc2)o1)c1ccccc1 ZINC000833169642 600846327 /nfs/dbraw/zinc/84/63/27/600846327.db2.gz LNBCACCEWRWEHU-INIZCTEOSA-N -1 0 340.404 3.773 20 0 EHADRM Cc1ccc2c(CC(=O)N3C[C@@H](CC(=O)[O-])c4ccccc43)c[nH]c2c1 ZINC000738667578 600849307 /nfs/dbraw/zinc/84/93/07/600849307.db2.gz OOMFKTWOSGYAHS-OAHLLOKOSA-N -1 0 348.402 3.624 20 0 EHADRM C[C@H](CC(=O)N1C[C@H](CC(=O)[O-])c2ccccc21)c1ccccc1F ZINC000736544696 600849399 /nfs/dbraw/zinc/84/93/99/600849399.db2.gz JRCYGJJZKFBBRC-KGLIPLIRSA-N -1 0 341.382 3.924 20 0 EHADRM C[C@]1(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CCc2ccccc2C1 ZINC000827976808 600851796 /nfs/dbraw/zinc/85/17/96/600851796.db2.gz XANSETSRRYWFPA-IBGZPJMESA-N -1 0 327.355 3.658 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000237503659 600853504 /nfs/dbraw/zinc/85/35/04/600853504.db2.gz CLFCMEBPDCXWDG-DOMZBBRYSA-N -1 0 349.427 3.788 20 0 EHADRM Cc1[nH]c2ccccc2c1CC(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000738246466 600854394 /nfs/dbraw/zinc/85/43/94/600854394.db2.gz HSXYRPGTMOWDDW-AWEZNQCLSA-N -1 0 348.402 3.624 20 0 EHADRM CC(C)(C)c1nc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cs1 ZINC000736298586 600856333 /nfs/dbraw/zinc/85/63/33/600856333.db2.gz BLKZMCAEPLQEDW-NSHDSACASA-N -1 0 344.436 3.659 20 0 EHADRM Cc1cc2cc(C(=O)Nc3ccc4[nH]nc(C(=O)[O-])c4c3)oc2cc1C ZINC000237836755 600856585 /nfs/dbraw/zinc/85/65/85/600856585.db2.gz XYRABHKDLFNHIW-UHFFFAOYSA-N -1 0 349.346 3.876 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000736323406 600856685 /nfs/dbraw/zinc/85/66/85/600856685.db2.gz CCPBKMHPBLRQLX-MRXNPFEDSA-N -1 0 337.419 3.860 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000262331340 600863093 /nfs/dbraw/zinc/86/30/93/600863093.db2.gz FALFPXIYSHTUGG-SIUPPRGNSA-N -1 0 347.430 3.639 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)CCNC(=O)[O-])c1ccc(Cl)cc1 ZINC000736250116 600864823 /nfs/dbraw/zinc/86/48/23/600864823.db2.gz DCZDBJHDXKIBBR-CYBMUJFWSA-N -1 0 326.824 3.591 20 0 EHADRM CCC[C@H](CCc1ccccc1)NC(=O)c1ccc(C(=O)[O-])s1 ZINC000736970368 600866680 /nfs/dbraw/zinc/86/66/80/600866680.db2.gz KZACDFHGAUZBBL-CQSZACIVSA-N -1 0 331.437 3.978 20 0 EHADRM C/C(=C/C(=O)N1CCCC[C@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000136478347 600867374 /nfs/dbraw/zinc/86/73/74/600867374.db2.gz VGJMPHXJZBCQSA-FPAJZGIOSA-N -1 0 341.329 3.574 20 0 EHADRM C[C@@H](CNC(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)[O-] ZINC000827496774 600871922 /nfs/dbraw/zinc/87/19/22/600871922.db2.gz GNFPLYDPKDCTBG-LBPRGKRZSA-N -1 0 329.396 3.695 20 0 EHADRM C[C@H](CNC(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)[O-] ZINC000827496772 600872030 /nfs/dbraw/zinc/87/20/30/600872030.db2.gz GNFPLYDPKDCTBG-GFCCVEGCSA-N -1 0 329.396 3.695 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)C[C@H]2CCC[C@@H](C)C2)c1OC ZINC000262460637 600875539 /nfs/dbraw/zinc/87/55/39/600875539.db2.gz IKINKGNNBIABII-NEPJUHHUSA-N -1 0 335.400 3.557 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc(-c3cscn3)c2)c(F)c1 ZINC000343115971 600876673 /nfs/dbraw/zinc/87/66/73/600876673.db2.gz CWLBNFNAYVQMHM-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)C2CCCCCCC2)c1OC ZINC000263249944 600877275 /nfs/dbraw/zinc/87/72/75/600877275.db2.gz IZJPPYFUKHNVOG-UHFFFAOYSA-N -1 0 335.400 3.701 20 0 EHADRM Cc1ccc(OCC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1C ZINC000262165900 600878740 /nfs/dbraw/zinc/87/87/40/600878740.db2.gz HHGCHQOWNILIJT-UHFFFAOYSA-N -1 0 341.407 3.683 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000621557884 600880112 /nfs/dbraw/zinc/88/01/12/600880112.db2.gz SAIRMUZYYZTYIP-ZDUSSCGKSA-N -1 0 341.382 3.635 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000621557854 600880187 /nfs/dbraw/zinc/88/01/87/600880187.db2.gz QYRVWORQWFIXOR-BVGQSLNGSA-N -1 0 345.439 3.601 20 0 EHADRM Cc1noc(C(F)F)c1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000833019365 600882304 /nfs/dbraw/zinc/88/23/04/600882304.db2.gz KBOCAZLGFARNCL-UHFFFAOYSA-N -1 0 330.674 3.525 20 0 EHADRM Cc1cc(F)cc(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)c1 ZINC000832887600 600882935 /nfs/dbraw/zinc/88/29/35/600882935.db2.gz OYXBRKFCFZESNI-UHFFFAOYSA-N -1 0 339.269 3.686 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)CCc2cccc(F)c2)c1 ZINC000832179196 600882980 /nfs/dbraw/zinc/88/29/80/600882980.db2.gz VHPYJUBHYDQRBN-LBPRGKRZSA-N -1 0 345.370 3.740 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000829004155 600883809 /nfs/dbraw/zinc/88/38/09/600883809.db2.gz AZSJFZSFXUOOJJ-KPEUIFRASA-N -1 0 345.439 3.575 20 0 EHADRM CCc1ccc(CN(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)C2CC2)cc1 ZINC000179959112 600885368 /nfs/dbraw/zinc/88/53/68/600885368.db2.gz HGZFTJVGSKRUHD-DLBZAZTESA-N -1 0 329.440 3.631 20 0 EHADRM CN(Cc1c(Cl)cccc1Cl)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000647117267 600885486 /nfs/dbraw/zinc/88/54/86/600885486.db2.gz OFFYQMJHTXACAN-MNOVXSKESA-N -1 0 344.238 3.843 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2cccnc2Oc2ccccc2)C1 ZINC000833188227 600889555 /nfs/dbraw/zinc/88/95/55/600889555.db2.gz WZFIDENIYXJSAQ-KBPBESRZSA-N -1 0 340.379 3.703 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCC(=O)c2ccc(Cl)cc2)s1 ZINC000833095875 600898785 /nfs/dbraw/zinc/89/87/85/600898785.db2.gz CGEJKYJJQOORMR-UHFFFAOYSA-N -1 0 337.784 3.701 20 0 EHADRM CCCOc1ccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1Cl ZINC000323908761 600899661 /nfs/dbraw/zinc/89/96/61/600899661.db2.gz JHBILYQLQZCERM-VXGBXAGGSA-N -1 0 339.819 3.958 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000439811425 600901843 /nfs/dbraw/zinc/90/18/43/600901843.db2.gz VCTLFDVHQDBSQO-PXAZEXFGSA-N -1 0 327.355 3.747 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)C1 ZINC000237531701 600901910 /nfs/dbraw/zinc/90/19/10/600901910.db2.gz PGWBRMGJMFLQLQ-OLZOCXBDSA-N -1 0 340.423 3.577 20 0 EHADRM C[C@H](CN(C)C(=O)C1(Cc2cccc(Cl)c2)CCCC1)C(=O)[O-] ZINC000237540859 600905586 /nfs/dbraw/zinc/90/55/86/600905586.db2.gz NNXIVTXYMKDOST-CYBMUJFWSA-N -1 0 337.847 3.622 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)C1CCCCCCC1)Cc1cccc(F)c1 ZINC000739498383 600906398 /nfs/dbraw/zinc/90/63/98/600906398.db2.gz LVYSTNDNFALITK-MRXNPFEDSA-N -1 0 335.419 3.546 20 0 EHADRM CC[C@H](NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)C(C)(C)c1ccccc1 ZINC000736913319 600912632 /nfs/dbraw/zinc/91/26/32/600912632.db2.gz AOOCZVJNLVHZED-HNNXBMFYSA-N -1 0 342.439 3.816 20 0 EHADRM CCc1ccc([C@@H]2CCCCN2C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)o1 ZINC000737259447 600914200 /nfs/dbraw/zinc/91/42/00/600914200.db2.gz RDYPJIYTTTYDOW-AWEZNQCLSA-N -1 0 344.411 3.853 20 0 EHADRM O=C([O-])NCCC(=O)N(C1CC1)[C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000833279501 600921999 /nfs/dbraw/zinc/92/19/99/600921999.db2.gz AJNIJUJJPTZDQS-SJORKVTESA-N -1 0 336.476 3.774 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1ccc2c(c1)-c1ccccc1C2)C(=O)[O-] ZINC000736404405 600927977 /nfs/dbraw/zinc/92/79/77/600927977.db2.gz OZZOBJJJPQUUMC-QGZVFWFLSA-N -1 0 337.419 3.735 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000832992792 600938369 /nfs/dbraw/zinc/93/83/69/600938369.db2.gz XAHYPIHOVHCDCI-UHFFFAOYSA-N -1 0 348.358 3.504 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000833187200 600942361 /nfs/dbraw/zinc/94/23/61/600942361.db2.gz QMVHMYWSNKAZBE-ZJUUUORDSA-N -1 0 336.438 3.701 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N(Cc2cscn2)c2ccccc2)C1 ZINC000833186555 600943051 /nfs/dbraw/zinc/94/30/51/600943051.db2.gz SIPGNULNBBJEOI-KGLIPLIRSA-N -1 0 344.436 3.567 20 0 EHADRM O=C([O-])c1cccc(COC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)c1 ZINC000833328939 600945099 /nfs/dbraw/zinc/94/50/99/600945099.db2.gz DRTJWZPZWLCZKW-UKRRQHHQSA-N -1 0 332.302 3.510 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000825942215 600945957 /nfs/dbraw/zinc/94/59/57/600945957.db2.gz MQNKRHRKXICEIC-HZPDHXFCSA-N -1 0 330.380 3.709 20 0 EHADRM COc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)c(C)c1 ZINC000832212980 600948242 /nfs/dbraw/zinc/94/82/42/600948242.db2.gz LPQUKTKEHDNCTF-OAHLLOKOSA-N -1 0 334.755 3.640 20 0 EHADRM CC[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(Cl)s1 ZINC000828921410 600953034 /nfs/dbraw/zinc/95/30/34/600953034.db2.gz BQLPCDFSBIBGDJ-AXFHLTTASA-N -1 0 329.849 3.860 20 0 EHADRM CC(C)C[C@@H](OC(=O)c1ccc(C2SCCS2)cc1)C(=O)[O-] ZINC000826820732 600954523 /nfs/dbraw/zinc/95/45/23/600954523.db2.gz TXSMRWMPAKTVIW-CYBMUJFWSA-N -1 0 340.466 3.821 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000833269208 600959396 /nfs/dbraw/zinc/95/93/96/600959396.db2.gz LEUNPRPDHAIHPK-UHFFFAOYSA-N -1 0 346.766 3.536 20 0 EHADRM Cc1noc(C(F)(F)F)c1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000833020941 600959813 /nfs/dbraw/zinc/95/98/13/600959813.db2.gz NQJMCTFUYRFSQC-UHFFFAOYSA-N -1 0 348.664 3.606 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000245724198 600963759 /nfs/dbraw/zinc/96/37/59/600963759.db2.gz PDYVGDZPNDMVAK-MWDXBVQZSA-N -1 0 329.440 3.590 20 0 EHADRM Cc1sc(NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)c(C(=O)[O-])c1C ZINC000833034445 600964656 /nfs/dbraw/zinc/96/46/56/600964656.db2.gz UVYHVGBEOZABFH-IFXJQAMLSA-N -1 0 341.432 3.906 20 0 EHADRM CC1CCN(c2cccc(NC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)c2)CC1 ZINC000828303874 600964841 /nfs/dbraw/zinc/96/48/41/600964841.db2.gz ZBHXBZYEAHYWKW-HOTGVXAUSA-N -1 0 344.455 3.752 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000262112816 600967791 /nfs/dbraw/zinc/96/77/91/600967791.db2.gz IBHPVDYUOFKORN-RBOXIYTFSA-N -1 0 337.391 3.836 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000829009296 600968405 /nfs/dbraw/zinc/96/84/05/600968405.db2.gz AXBYVLOIRYOGSY-BGTYHANMSA-N -1 0 347.455 3.693 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000180008342 600968601 /nfs/dbraw/zinc/96/86/01/600968601.db2.gz ACYBLBQVBFHOBA-BZSNNMDCSA-N -1 0 329.440 3.940 20 0 EHADRM Cc1ccc([C@H]2CCCCN2CC(=O)Nc2ccsc2C(=O)[O-])o1 ZINC000738584127 600968959 /nfs/dbraw/zinc/96/89/59/600968959.db2.gz TYHLVTSDTVTTSJ-CYBMUJFWSA-N -1 0 348.424 3.513 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1ccc(F)c(Br)c1 ZINC000236472440 600969797 /nfs/dbraw/zinc/96/97/97/600969797.db2.gz NUDIGLOFHRAIOB-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM Cc1c(Br)cccc1C(=O)Nc1sccc1C(=O)[O-] ZINC000088440189 600970035 /nfs/dbraw/zinc/97/00/35/600970035.db2.gz BHFXBABGQWVKKZ-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM CCOc1c(F)cccc1C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000830027195 600970397 /nfs/dbraw/zinc/97/03/97/600970397.db2.gz QINNZOBZFJRPBA-UHFFFAOYSA-N -1 0 337.734 3.828 20 0 EHADRM O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)CCC1CCOCC1 ZINC000833097842 600970721 /nfs/dbraw/zinc/97/07/21/600970721.db2.gz WSHZVRDKOHSJGE-UHFFFAOYSA-N -1 0 345.317 3.549 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1cccc(-c2cscn2)c1 ZINC000833163255 600972066 /nfs/dbraw/zinc/97/20/66/600972066.db2.gz OSIHUTUVPPSBLJ-UHFFFAOYSA-N -1 0 330.390 3.822 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000829009356 600972399 /nfs/dbraw/zinc/97/23/99/600972399.db2.gz BZYOPKGEDICECU-XUJVJEKNSA-N -1 0 337.391 3.836 20 0 EHADRM Cc1cnc(SCc2csc(-c3cccc(C(=O)[O-])c3)n2)nc1 ZINC000738803533 600985720 /nfs/dbraw/zinc/98/57/20/600985720.db2.gz XIWWDCOUYOOCON-UHFFFAOYSA-N -1 0 343.433 3.899 20 0 EHADRM O=C([O-])[C@H](Sc1n[nH]c(-c2cc(F)cc(F)c2)n1)c1ccccc1 ZINC000739512091 600987270 /nfs/dbraw/zinc/98/72/70/600987270.db2.gz LTTUJYSIIGXOJE-CYBMUJFWSA-N -1 0 347.346 3.668 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@@H]1CCSc2ccccc21 ZINC000262333705 601002919 /nfs/dbraw/zinc/00/29/19/601002919.db2.gz FIPKHPYUOBASJB-XZDPQHSOSA-N -1 0 345.464 3.510 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccc2oc(C3CC3)nc2c1)C(=O)[O-] ZINC000424477683 601003476 /nfs/dbraw/zinc/00/34/76/601003476.db2.gz WFIIXVSKAQWLPJ-GFCCVEGCSA-N -1 0 345.399 3.574 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)[C@@H]2CCSc3ccccc32)c1 ZINC000740041983 601004349 /nfs/dbraw/zinc/00/43/49/601004349.db2.gz CGNMIDPONZOMOB-CQSZACIVSA-N -1 0 328.393 3.995 20 0 EHADRM COc1ccc([C@@H](NCc2csc(CCC(C)C)n2)C(=O)[O-])cc1 ZINC000832251823 601004438 /nfs/dbraw/zinc/00/44/38/601004438.db2.gz CGANAIMZZCFQJR-QGZVFWFLSA-N -1 0 348.468 3.656 20 0 EHADRM CC[C@](C)(NC(=O)C[C@@H](Cc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000362342216 601006246 /nfs/dbraw/zinc/00/62/46/601006246.db2.gz ZXQLDVJJBASRQG-NQIIRXRSSA-N -1 0 339.435 3.773 20 0 EHADRM Cc1cccc2c(CCNC(=O)Nc3ccc(C(=O)[O-])cc3)c[nH]c21 ZINC000832973490 601006621 /nfs/dbraw/zinc/00/66/21/601006621.db2.gz BHMQTBMPOXHPCF-UHFFFAOYSA-N -1 0 337.379 3.539 20 0 EHADRM C[C@@H](CNC(=O)Nc1cccc(C(=O)[O-])c1)Oc1ccc(Cl)cc1 ZINC000827493757 601008709 /nfs/dbraw/zinc/00/87/09/601008709.db2.gz ZTAUDTSDPZJKGE-NSHDSACASA-N -1 0 348.786 3.627 20 0 EHADRM Cc1cnc([C@@H](NC(=O)Nc2cc(C(=O)[O-])ccc2F)C2CC2)s1 ZINC000832985614 601010503 /nfs/dbraw/zinc/01/05/03/601010503.db2.gz JFCZMWQTAIOWDA-ZDUSSCGKSA-N -1 0 349.387 3.562 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)[C@@H](C)c1ccccc1C(F)(F)F ZINC000736199496 601011424 /nfs/dbraw/zinc/01/14/24/601011424.db2.gz JFVBSVBRHKTEBQ-NSHDSACASA-N -1 0 331.334 3.521 20 0 EHADRM C[C@H]1Cc2ccccc2CN1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000828516014 601011802 /nfs/dbraw/zinc/01/18/02/601011802.db2.gz HOIZBJBPMBDKDD-NSHDSACASA-N -1 0 328.343 3.503 20 0 EHADRM C[C@@H](C(=O)N[C@H](C(=O)[O-])C(C)(C)C)c1c(Cl)cccc1Cl ZINC000736213388 601013554 /nfs/dbraw/zinc/01/35/54/601013554.db2.gz ZPCPHJQJNJCDLN-PRHODGIISA-N -1 0 332.227 3.712 20 0 EHADRM CCSCC[C@H](C)N(C)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000830163587 601022144 /nfs/dbraw/zinc/02/21/44/601022144.db2.gz ANNKHSNMLXPVQY-NSHDSACASA-N -1 0 325.434 3.772 20 0 EHADRM C/C(=C\C(=O)N[C@H](C(=O)[O-])C(C)(C)C)c1ccccc1C(F)(F)F ZINC000736122379 601024593 /nfs/dbraw/zinc/02/45/93/601024593.db2.gz ZRNLGJXWXIBELU-ATWMFIQVSA-N -1 0 343.345 3.724 20 0 EHADRM C[C@H](C(=O)N(CCC(=O)[O-])c1cccc(F)c1)c1ccccc1F ZINC000736199258 601025003 /nfs/dbraw/zinc/02/50/03/601025003.db2.gz HSROEGDVTUMJDU-LBPRGKRZSA-N -1 0 333.334 3.576 20 0 EHADRM O=C([O-])CCN(C(=O)c1ccc2c(c1)CCCC2)c1cccc(F)c1 ZINC000739710095 601025528 /nfs/dbraw/zinc/02/55/28/601025528.db2.gz CMKUBHZKEABZEN-UHFFFAOYSA-N -1 0 341.382 3.826 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC000736625218 601025882 /nfs/dbraw/zinc/02/58/82/601025882.db2.gz DRLWBQMAQFVOBB-CQSZACIVSA-N -1 0 329.371 3.512 20 0 EHADRM Cc1csc([C@@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)C2CC2)n1 ZINC000832988554 601026790 /nfs/dbraw/zinc/02/67/90/601026790.db2.gz APHYIOBBETYFET-ZDUSSCGKSA-N -1 0 349.387 3.562 20 0 EHADRM Cc1cc(OC(C)C)ccc1NC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000567580977 601027413 /nfs/dbraw/zinc/02/74/13/601027413.db2.gz IWACFZUIBPGBQT-AWEZNQCLSA-N -1 0 336.432 3.651 20 0 EHADRM CC(C)(C)c1cc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)no1 ZINC000262403980 601029339 /nfs/dbraw/zinc/02/93/39/601029339.db2.gz AJHAWFFPBBXTJW-UHFFFAOYSA-N -1 0 330.384 3.587 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)N[C@H](CC2CC2)c2ccccc2)cc1 ZINC000833266408 601033603 /nfs/dbraw/zinc/03/36/03/601033603.db2.gz NTAUWSLLKNXFLE-GOSISDBHSA-N -1 0 338.407 3.977 20 0 EHADRM C[C@H](CC(=O)N(c1ncc(C(=O)[O-])s1)C1CC1)c1cccc(F)c1 ZINC000736545468 601035849 /nfs/dbraw/zinc/03/58/49/601035849.db2.gz PAINNBBEBSGQGJ-SNVBAGLBSA-N -1 0 348.399 3.670 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)C1(C)C ZINC000736343973 601039338 /nfs/dbraw/zinc/03/93/38/601039338.db2.gz MJBKXOKDLGCPKA-YPMHNXCESA-N -1 0 334.441 3.575 20 0 EHADRM CC[C@@H](C)C[C@H](C)NC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000828741134 601041338 /nfs/dbraw/zinc/04/13/38/601041338.db2.gz ZSMBFWZNYOZYKM-OLZOCXBDSA-N -1 0 338.473 3.951 20 0 EHADRM O=C([O-])CCC(=O)N(CCSc1ccc(F)cc1)c1ccccc1 ZINC000738564126 601042634 /nfs/dbraw/zinc/04/26/34/601042634.db2.gz KJBBGENCUGWXTA-UHFFFAOYSA-N -1 0 347.411 3.816 20 0 EHADRM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000828121031 601046185 /nfs/dbraw/zinc/04/61/85/601046185.db2.gz BGHIKWBZBPXGJB-PXNSSMCTSA-N -1 0 338.407 3.556 20 0 EHADRM Cc1cnc(-c2cccc(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])c2)o1 ZINC000424378849 601047168 /nfs/dbraw/zinc/04/71/68/601047168.db2.gz HGESBSNTSAXCJC-AWEZNQCLSA-N -1 0 345.399 3.518 20 0 EHADRM C[C@@H]1CCC[C@@H](C)N(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C1 ZINC000828238486 601050000 /nfs/dbraw/zinc/05/00/00/601050000.db2.gz HULMSEKQPHVWLG-ZIAGYGMSSA-N -1 0 333.432 3.839 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2cc(C(=O)[O-])ccc2F)cc1C ZINC000237713243 601055758 /nfs/dbraw/zinc/05/57/58/601055758.db2.gz SBRGDTHYTZYYAP-UHFFFAOYSA-N -1 0 345.370 3.938 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)c1cc(Oc2ccccc2)ccn1 ZINC000833160189 601058441 /nfs/dbraw/zinc/05/84/41/601058441.db2.gz BIDMRJUFTNLFGC-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N1Cc2ccccc2[C@H]1C)C(=O)[O-] ZINC000574292312 601059559 /nfs/dbraw/zinc/05/95/59/601059559.db2.gz LFUITMDXUNFNJK-CHWSQXEVSA-N -1 0 341.432 3.969 20 0 EHADRM Cc1ccc(NC(=O)c2cc(Cl)c(Cl)n2C)cc1C(=O)[O-] ZINC000110987204 601062728 /nfs/dbraw/zinc/06/27/28/601062728.db2.gz IPJVZFIVYCHFFC-UHFFFAOYSA-N -1 0 327.167 3.591 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000643865231 601063591 /nfs/dbraw/zinc/06/35/91/601063591.db2.gz FHNQFXOKVHJHAT-VXGBXAGGSA-N -1 0 345.361 3.672 20 0 EHADRM Cc1ccc(NC(=O)Cc2ccc(Br)cc2)cc1C(=O)[O-] ZINC000110987031 601064181 /nfs/dbraw/zinc/06/41/81/601064181.db2.gz LVUBTOWULBYECR-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM O=C([O-])[C@H](OC(=O)/C=C/c1ccc(Cl)cc1)c1ccccc1F ZINC000833095247 601065153 /nfs/dbraw/zinc/06/51/53/601065153.db2.gz QAOOVQNBBHBQOC-OJXHRBAXSA-N -1 0 334.730 3.861 20 0 EHADRM Cc1ccc(NC(=O)c2cc(F)c(Cl)nc2Cl)cc1C(=O)[O-] ZINC000832948241 601066139 /nfs/dbraw/zinc/06/61/39/601066139.db2.gz XKWFOTBXSBCEJR-UHFFFAOYSA-N -1 0 343.141 3.786 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])s2)CC[C@H]1c1ccccc1 ZINC000237477919 601066843 /nfs/dbraw/zinc/06/68/43/601066843.db2.gz GPJFNFAMPQOHSE-TZMCWYRMSA-N -1 0 329.421 3.712 20 0 EHADRM Cc1ccc(NC(=O)/C=C/c2ccc3ccccc3n2)cc1C(=O)[O-] ZINC000832942512 601067377 /nfs/dbraw/zinc/06/73/77/601067377.db2.gz FGIHHUUPSACNOP-ZHACJKMWSA-N -1 0 332.359 3.893 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000387402423 601068181 /nfs/dbraw/zinc/06/81/81/601068181.db2.gz YZDGKDBVIMSQKI-AWEZNQCLSA-N -1 0 338.190 3.592 20 0 EHADRM Cc1ccc(CC(=O)OCCOc2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000832929577 601069140 /nfs/dbraw/zinc/06/91/40/601069140.db2.gz YFYCGPCFIBAWFZ-UHFFFAOYSA-N -1 0 348.782 3.511 20 0 EHADRM CC(C)[C@@H](CC(=O)NC[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000262554404 601072526 /nfs/dbraw/zinc/07/25/26/601072526.db2.gz XUYNXYBSZATMOS-RTBURBONSA-N -1 0 339.435 3.801 20 0 EHADRM CCC[C@H](C)c1cc(NC(=O)Nc2ccc(CNC(=O)[O-])cc2)n[nH]1 ZINC000829216192 601076293 /nfs/dbraw/zinc/07/62/93/601076293.db2.gz JUMHIEIMXYGGFS-NSHDSACASA-N -1 0 345.403 3.725 20 0 EHADRM CCc1cccc(NC(=O)Nc2cc(C(=O)[O-])cc(OC)c2OC)c1 ZINC000830265701 601078728 /nfs/dbraw/zinc/07/87/28/601078728.db2.gz KTNVTWDBNBJSID-UHFFFAOYSA-N -1 0 344.367 3.608 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)CCc1ccc(F)cc1 ZINC000833177473 601081811 /nfs/dbraw/zinc/08/18/11/601081811.db2.gz OUZASXCVSGADSW-WMZOPIPTSA-N -1 0 347.430 3.640 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000736903381 601087613 /nfs/dbraw/zinc/08/76/13/601087613.db2.gz IMSWLNQXKBUMAJ-MRXNPFEDSA-N -1 0 342.439 3.731 20 0 EHADRM Cc1cc(C(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c(C)s1 ZINC000832860483 601089182 /nfs/dbraw/zinc/08/91/82/601089182.db2.gz CJNYDLKCONFRJK-GDBMZVCRSA-N -1 0 335.469 3.861 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)CCc1ccccc1F ZINC000833176417 601091297 /nfs/dbraw/zinc/09/12/97/601091297.db2.gz CBESCNXXCILMTA-WMZOPIPTSA-N -1 0 347.430 3.640 20 0 EHADRM Cc1csc([C@@H]2CCCN(C(=O)Nc3cccc(C(=O)[O-])c3)C2)n1 ZINC000738817075 601100039 /nfs/dbraw/zinc/10/00/39/601100039.db2.gz SJUOJWJULKDDAG-CYBMUJFWSA-N -1 0 345.424 3.561 20 0 EHADRM Cc1cccc(OCCC(=O)O[C@H](C(=O)[O-])c2ccccc2F)c1C ZINC000832972104 601100589 /nfs/dbraw/zinc/10/05/89/601100589.db2.gz KFTGLVDOUUSVSS-SFHVURJKSA-N -1 0 346.354 3.581 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cc2ccc(Cl)cc2[nH]1)c1ccccc1F ZINC000833350216 601101459 /nfs/dbraw/zinc/10/14/59/601101459.db2.gz BQGSDYJXVKKBJQ-OAHLLOKOSA-N -1 0 347.729 3.943 20 0 EHADRM O=C([O-])[C@H](OC(=O)Cc1csc2ccccc12)c1ccccc1F ZINC000833119169 601112135 /nfs/dbraw/zinc/11/21/35/601112135.db2.gz BVMIKAILKPXCJV-QGZVFWFLSA-N -1 0 344.363 3.952 20 0 EHADRM CCN(C(=O)c1cc2ccccc2s1)c1ncc(C(=O)[O-])s1 ZINC000737058666 601112943 /nfs/dbraw/zinc/11/29/43/601112943.db2.gz PRMOMINNJVHYSE-UHFFFAOYSA-N -1 0 332.406 3.723 20 0 EHADRM CCN(C(=O)Cc1cccc2ccccc21)c1ncc(C(=O)[O-])s1 ZINC000737060193 601114098 /nfs/dbraw/zinc/11/40/98/601114098.db2.gz NRRJXCGXAVRMQZ-UHFFFAOYSA-N -1 0 340.404 3.590 20 0 EHADRM Cc1ccc(SCCOC(=O)[C@@H](CC(C)C)NC(=O)[O-])cc1C ZINC000832958019 601122006 /nfs/dbraw/zinc/12/20/06/601122006.db2.gz QAUYGQMQKJSIQW-OAHLLOKOSA-N -1 0 339.457 3.621 20 0 EHADRM CCN(C(=O)/C=C/c1ccc(Cl)cc1)c1ncc(C(=O)[O-])s1 ZINC000737054041 601125027 /nfs/dbraw/zinc/12/50/27/601125027.db2.gz YUWASETVJVYDMP-VMPITWQZSA-N -1 0 336.800 3.561 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C(C)(C)C1 ZINC000828370392 601132847 /nfs/dbraw/zinc/13/28/47/601132847.db2.gz QFRJLPIZBNVIIH-SECBINFHSA-N -1 0 342.342 3.639 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@H](C)c1c(Cl)cccc1Cl ZINC000828617415 601133900 /nfs/dbraw/zinc/13/39/00/601133900.db2.gz DACGGFFSLRLTEJ-PSLIRLAXSA-N -1 0 332.227 3.857 20 0 EHADRM Cc1cc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)c(F)cc1F ZINC000325949056 601137415 /nfs/dbraw/zinc/13/74/15/601137415.db2.gz CURABTBMDXPDAD-MRXNPFEDSA-N -1 0 333.334 3.609 20 0 EHADRM CC(C)c1ccc([C@@H](C)NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000324860426 601138374 /nfs/dbraw/zinc/13/83/74/601138374.db2.gz NVKVMVIUAJUMAB-CYBMUJFWSA-N -1 0 347.436 3.548 20 0 EHADRM Cc1ccc(NC(=O)NCCc2csc(C(C)C)n2)cc1C(=O)[O-] ZINC000832947188 601143793 /nfs/dbraw/zinc/14/37/93/601143793.db2.gz RZHMNNXUERLWGX-UHFFFAOYSA-N -1 0 347.440 3.637 20 0 EHADRM O=C([O-])CN(C(=O)c1cccc(C(F)(F)F)c1)c1cccc(F)c1 ZINC000833246060 601145580 /nfs/dbraw/zinc/14/55/80/601145580.db2.gz UVVGJZORCDSHPD-UHFFFAOYSA-N -1 0 341.260 3.576 20 0 EHADRM C[C@H](OC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1nc2ccccc2s1 ZINC000827825291 601147246 /nfs/dbraw/zinc/14/72/46/601147246.db2.gz DFHHMONDGWTPBJ-SDDRHHMPSA-N -1 0 333.409 3.792 20 0 EHADRM CN(C(=O)c1cccc(C(F)(F)F)c1F)c1ccccc1C(=O)[O-] ZINC000325287905 601148482 /nfs/dbraw/zinc/14/84/82/601148482.db2.gz KNBVRYVMFNAELY-UHFFFAOYSA-N -1 0 341.260 3.819 20 0 EHADRM CC[C@@H](Oc1ccccc1Cl)C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000829014910 601151630 /nfs/dbraw/zinc/15/16/30/601151630.db2.gz TXDGVVAZDJAUBJ-OAHLLOKOSA-N -1 0 347.798 3.859 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)c1ccc(Oc2ccccc2)o1 ZINC000679400647 601151815 /nfs/dbraw/zinc/15/18/15/601151815.db2.gz PYTOKHHUAWHVLG-CYBMUJFWSA-N -1 0 329.352 3.541 20 0 EHADRM Cc1c(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cnc2ccccc12 ZINC000832850368 601151971 /nfs/dbraw/zinc/15/19/71/601151971.db2.gz GOADCRUOPVXCIK-UHFFFAOYSA-N -1 0 342.301 3.772 20 0 EHADRM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000828311109 601160997 /nfs/dbraw/zinc/16/09/97/601160997.db2.gz ULBYKQXXNRASIO-APPDUMDISA-N -1 0 342.370 3.969 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000119907481 601168866 /nfs/dbraw/zinc/16/88/66/601168866.db2.gz AJEFGOSXBJIJSU-HBUWYVDXSA-N -1 0 343.398 3.583 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Oc2ccc(Oc3nccs3)cc2)C1 ZINC000833186632 601173403 /nfs/dbraw/zinc/17/34/03/601173403.db2.gz GNFFYSALIIARAC-RYUDHWBXSA-N -1 0 347.392 3.732 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)c2ccc(Oc3ccccc3Cl)cc2)C1 ZINC000676213440 601179794 /nfs/dbraw/zinc/17/97/94/601179794.db2.gz MDVLDJYXIBYYIJ-ZDUSSCGKSA-N -1 0 345.782 3.679 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)OCc2cc(Cl)cc3cccnc32)C1 ZINC000833188453 601180626 /nfs/dbraw/zinc/18/06/26/601180626.db2.gz NCYZEQMAUYLDDR-QWHCGFSZSA-N -1 0 347.798 3.822 20 0 EHADRM CCS[C@@H]1CCC[C@@H](NC(=O)Nc2cc(C(=O)[O-])ccc2F)C1 ZINC000830158472 601191080 /nfs/dbraw/zinc/19/10/80/601191080.db2.gz WKNDFACUGSUOGE-VXGBXAGGSA-N -1 0 340.420 3.710 20 0 EHADRM CC[C@H](C)CN(CC)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000828747498 601192471 /nfs/dbraw/zinc/19/24/71/601192471.db2.gz PQTSBDINYSOBQI-ZDUSSCGKSA-N -1 0 338.473 3.904 20 0 EHADRM CC[C@@H](C)c1ccccc1OS(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000828770530 601214398 /nfs/dbraw/zinc/21/43/98/601214398.db2.gz QSKXVVATLVGUFU-SNVBAGLBSA-N -1 0 338.381 3.567 20 0 EHADRM CSc1ccc(NC(=O)COc2ccccc2NC(=O)[O-])cc1 ZINC000832780889 601229301 /nfs/dbraw/zinc/22/93/01/601229301.db2.gz KUUJLPYTZCAKNE-UHFFFAOYSA-N -1 0 332.381 3.516 20 0 EHADRM CCN(C(=O)c1ccnc(C(=O)[O-])c1)[C@H](C)c1cc2ccccc2o1 ZINC000237045005 601244475 /nfs/dbraw/zinc/24/44/75/601244475.db2.gz HZDHOXZRWYWXOA-GFCCVEGCSA-N -1 0 338.363 3.749 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000826039000 601247708 /nfs/dbraw/zinc/24/77/08/601247708.db2.gz KKWXHSXQVJCYMY-XHDPSFHLSA-N -1 0 332.787 3.924 20 0 EHADRM O=C([O-])c1cc(C(=O)Nc2ccc3oc4ccccc4c3c2)ccn1 ZINC000833157978 601271706 /nfs/dbraw/zinc/27/17/06/601271706.db2.gz KQBVZQZOKYDQJR-UHFFFAOYSA-N -1 0 332.315 3.932 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)/C(C)=C\c1ccc(F)cc1 ZINC000831912955 601277552 /nfs/dbraw/zinc/27/75/52/601277552.db2.gz IGYZPDSHONDLLB-LUAWRHEFSA-N -1 0 330.311 3.541 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000184888824 601279603 /nfs/dbraw/zinc/27/96/03/601279603.db2.gz YUQYFTUKXALPJW-UHFFFAOYSA-N -1 0 346.814 3.702 20 0 EHADRM CC(C)=C(C)C(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC000826641878 601282426 /nfs/dbraw/zinc/28/24/26/601282426.db2.gz IZPRYPORXXGPGG-UHFFFAOYSA-N -1 0 330.409 3.727 20 0 EHADRM CC1(C)CCN1C(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000236910995 601288389 /nfs/dbraw/zinc/28/83/89/601288389.db2.gz KRHCDPFRWQUTFS-UHFFFAOYSA-N -1 0 345.420 3.895 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000826806643 601290211 /nfs/dbraw/zinc/29/02/11/601290211.db2.gz HJXBLWUCYYUDKI-OAHLLOKOSA-N -1 0 346.814 3.950 20 0 EHADRM CCc1sc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1C ZINC000237104253 601295856 /nfs/dbraw/zinc/29/58/56/601295856.db2.gz IDTNAZIGMFJOKS-LRDDRELGSA-N -1 0 331.437 3.811 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000262529427 601297026 /nfs/dbraw/zinc/29/70/26/601297026.db2.gz OMGYYBGWXQIATM-GDIGMMSISA-N -1 0 337.419 3.685 20 0 EHADRM Cc1ccc(NCC(=O)N(c2ccccc2)C(C)C)cc1C(=O)[O-] ZINC000832949316 601302551 /nfs/dbraw/zinc/30/25/51/601302551.db2.gz UMSMOZIVAVIZFU-UHFFFAOYSA-N -1 0 326.396 3.547 20 0 EHADRM Cc1ccc(NCC(=O)N[C@@H](C)c2ccccc2Cl)cc1C(=O)[O-] ZINC000832952215 601302911 /nfs/dbraw/zinc/30/29/11/601302911.db2.gz UATPITDUUUTAMJ-LBPRGKRZSA-N -1 0 346.814 3.636 20 0 EHADRM CSc1cccc(NC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000832790883 601308473 /nfs/dbraw/zinc/30/84/73/601308473.db2.gz ZQYRXWBVSUVAFT-OAHLLOKOSA-N -1 0 348.399 3.885 20 0 EHADRM Cc1cc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c(C)c1 ZINC000006919645 601316499 /nfs/dbraw/zinc/31/64/99/601316499.db2.gz KQYJNTOLUDBDKB-UHFFFAOYSA-N -1 0 347.436 3.728 20 0 EHADRM COc1ccc(C(=O)[O-])c(OCc2ccc(C(F)(F)F)cc2)c1 ZINC000321144210 601331239 /nfs/dbraw/zinc/33/12/39/601331239.db2.gz NAARURQPHCTJAK-UHFFFAOYSA-N -1 0 326.270 3.991 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OCc1csc([C@@H](C)OC)n1 ZINC000831975269 601344602 /nfs/dbraw/zinc/34/46/02/601344602.db2.gz DGAFTEFMNUUKLL-OKPNEXGHSA-N -1 0 349.408 3.536 20 0 EHADRM Cc1oc(CON=C(N)C23CC4CC(CC(C4)C2)C3)cc1C(=O)[O-] ZINC000833026242 601352845 /nfs/dbraw/zinc/35/28/45/601352845.db2.gz FLEBEPIXRMFQGS-UHFFFAOYSA-N -1 0 332.400 3.501 20 0 EHADRM C/C(=C\COC(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2)C(=O)[O-] ZINC000825751991 601357176 /nfs/dbraw/zinc/35/71/76/601357176.db2.gz GYPBLISHMLGMHG-RFQRXGKZSA-N -1 0 346.345 3.709 20 0 EHADRM O=C([O-])c1ccc(-c2nc(COC(=O)[C@@H]3C[C@@H]3C3CC3)cs2)cc1 ZINC000833308469 601358507 /nfs/dbraw/zinc/35/85/07/601358507.db2.gz QGXIUYQUYKYUKD-HUUCEWRRSA-N -1 0 343.404 3.598 20 0 EHADRM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)NCCCCCCC(=O)[O-] ZINC000828149524 601361473 /nfs/dbraw/zinc/36/14/73/601361473.db2.gz LGBPWTJNNGNQGG-WBVHZDCISA-N -1 0 332.444 3.609 20 0 EHADRM C[C@@H](Cc1ccccc1)c1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC000827592173 601367775 /nfs/dbraw/zinc/36/77/75/601367775.db2.gz HNHKCAVMXIMLRX-ZDUSSCGKSA-N -1 0 338.363 3.693 20 0 EHADRM O=C([O-])Nc1ccccc1OCc1cc(Cl)c2c(c1)OCCO2 ZINC000833287174 601368190 /nfs/dbraw/zinc/36/81/90/601368190.db2.gz DFCCFMXGIKUUNJ-UHFFFAOYSA-N -1 0 335.743 3.780 20 0 EHADRM C[C@H](c1ccccc1)N(C)C(=O)COc1ccc(Cl)cc1C(=O)[O-] ZINC000324594670 601372650 /nfs/dbraw/zinc/37/26/50/601372650.db2.gz JPVDJYNHMUCMIR-GFCCVEGCSA-N -1 0 347.798 3.637 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccc(Cl)s1 ZINC000432001370 601394488 /nfs/dbraw/zinc/39/44/88/601394488.db2.gz QJPLGXMUVSQRMO-SECBINFHSA-N -1 0 339.800 3.607 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)cc1 ZINC000832220773 601396925 /nfs/dbraw/zinc/39/69/25/601396925.db2.gz GFQPGDOURZSAJM-ZDUSSCGKSA-N -1 0 342.395 3.942 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Nc2cc(OC)ccc2C(=O)[O-])cc1 ZINC000832220962 601403941 /nfs/dbraw/zinc/40/39/41/601403941.db2.gz NRWWRQUADOSZLI-GFCCVEGCSA-N -1 0 343.379 3.534 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN[C@@H](c1ccccc1)C(F)(F)F ZINC000830374328 601414926 /nfs/dbraw/zinc/41/49/26/601414926.db2.gz BQTPSSIFYCABTM-AWEZNQCLSA-N -1 0 327.302 3.933 20 0 EHADRM O=C([O-])CC1(NC(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)CCC1 ZINC000537403897 601432187 /nfs/dbraw/zinc/43/21/87/601432187.db2.gz QRINWRJFCXGGNB-UHFFFAOYSA-N -1 0 340.423 3.564 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Nc2cc(C)c(C(=O)[O-])s2)cc1 ZINC000832220855 601442267 /nfs/dbraw/zinc/44/22/67/601442267.db2.gz JPSHENJJUIMIRE-SNVBAGLBSA-N -1 0 333.409 3.896 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC000832220935 601446289 /nfs/dbraw/zinc/44/62/89/601446289.db2.gz NBEJAQDFJFZFJY-ZDUSSCGKSA-N -1 0 327.380 3.550 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(OC3CCC3)c(F)c2)cc1 ZINC000238048227 601447205 /nfs/dbraw/zinc/44/72/05/601447205.db2.gz WVEINQYBOSBCGQ-UHFFFAOYSA-N -1 0 329.327 3.708 20 0 EHADRM C[C@@H](OC(=O)c1cccc(NC(=O)[O-])c1)c1nc2ccccc2n1C ZINC000827861432 601448411 /nfs/dbraw/zinc/44/84/11/601448411.db2.gz LWMDZTDMGYXDPX-LLVKDONJSA-N -1 0 339.351 3.581 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cccc(Nc2ccccc2)c1 ZINC000828645365 601463470 /nfs/dbraw/zinc/46/34/70/601463470.db2.gz NDGMIASZJFCVPR-IBGZPJMESA-N -1 0 326.396 3.803 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)c1ccc(Cl)nc1Cl ZINC000830390419 601464229 /nfs/dbraw/zinc/46/42/29/601464229.db2.gz GIDXYYWJUFYDFB-UHFFFAOYSA-N -1 0 344.150 3.599 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000832588608 601464601 /nfs/dbraw/zinc/46/46/01/601464601.db2.gz FIWGZLUMNFENML-LLVKDONJSA-N -1 0 332.352 3.568 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)C[C@H]1CCOc2ccccc21 ZINC000830384693 601466850 /nfs/dbraw/zinc/46/68/50/601466850.db2.gz ZVKKAWAIRUTEFJ-GFCCVEGCSA-N -1 0 344.363 3.540 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)/C=C\c1ccc2cc(OC)ccc2c1 ZINC000776629750 601471571 /nfs/dbraw/zinc/47/15/71/601471571.db2.gz UBKLOBILHOLXID-GFWYJJLOSA-N -1 0 341.407 3.621 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)NC3(CC(=O)[O-])CCC3)cc2)cs1 ZINC000649537775 601476453 /nfs/dbraw/zinc/47/64/53/601476453.db2.gz PBQDZODZSBRCRW-UHFFFAOYSA-N -1 0 345.424 3.637 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC000832527823 601483687 /nfs/dbraw/zinc/48/36/87/601483687.db2.gz BGIDJCVLKYTWBX-RYUDHWBXSA-N -1 0 332.352 3.784 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)O[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000832527812 601483761 /nfs/dbraw/zinc/48/37/61/601483761.db2.gz AVOWHAKWFMEUFF-UGSOOPFHSA-N -1 0 328.364 3.558 20 0 EHADRM CCCCOc1cccc(NC(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC000656602223 601485587 /nfs/dbraw/zinc/48/55/87/601485587.db2.gz YAGKERGVKVGEOI-UHFFFAOYSA-N -1 0 348.443 3.974 20 0 EHADRM C[C@@H](CC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-])c1cccc(F)c1 ZINC000262555531 601496175 /nfs/dbraw/zinc/49/61/75/601496175.db2.gz WIRXDSXLIXOWSE-ORAYPTAESA-N -1 0 341.382 3.530 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)O[C@H](C2CCCC2)C(F)(F)F)cc1 ZINC000833101866 601505178 /nfs/dbraw/zinc/50/51/78/601505178.db2.gz FXPUUDDJFFWITL-OAHLLOKOSA-N -1 0 344.329 3.982 20 0 EHADRM O=C([O-])c1cccc(C(=O)N(CC(F)F)c2cccc(Cl)c2)c1 ZINC000833327252 601507077 /nfs/dbraw/zinc/50/70/77/601507077.db2.gz CYINAMQVMLBXFR-UHFFFAOYSA-N -1 0 339.725 3.950 20 0 EHADRM CCN(C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1)C1CCCCC1 ZINC000236889827 601529215 /nfs/dbraw/zinc/52/92/15/601529215.db2.gz DYAFKZQKYOOUPR-UHFFFAOYSA-N -1 0 333.428 3.562 20 0 EHADRM Cc1ccc(N(C)C(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)cc1C ZINC000832934891 601536023 /nfs/dbraw/zinc/53/60/23/601536023.db2.gz JIHMBRXFRFJLQW-UHFFFAOYSA-N -1 0 341.407 3.660 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1Cc1cnc(Cl)s1 ZINC000833179367 601540557 /nfs/dbraw/zinc/54/05/57/601540557.db2.gz NFEYTYIMOFNCQX-AAEUAGOBSA-N -1 0 328.865 3.652 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cnc2ccsc2c1)c1ccc(Cl)cc1 ZINC000683318301 601582529 /nfs/dbraw/zinc/58/25/29/601582529.db2.gz SPCHVBYTNJRFDS-CQSZACIVSA-N -1 0 346.795 3.505 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@@H]1CCCc2ccccc21)c1ccc(Cl)cc1 ZINC000345869859 601585574 /nfs/dbraw/zinc/58/55/74/601585574.db2.gz UPGOKZAWMPUOEQ-IAGOWNOFSA-N -1 0 343.810 3.702 20 0 EHADRM Cc1cccc2cc(C(=O)N[C@@H](C(=O)[O-])c3ccc(Cl)cc3)oc21 ZINC000539567940 601585885 /nfs/dbraw/zinc/58/58/85/601585885.db2.gz BHQXTVVTOWGUPY-OAHLLOKOSA-N -1 0 343.766 3.950 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cccc(C(F)F)c1)c1ccc(Cl)cc1 ZINC000833124447 601586668 /nfs/dbraw/zinc/58/66/68/601586668.db2.gz BFPJMSQCQPEBFU-ZDUSSCGKSA-N -1 0 339.725 3.833 20 0 EHADRM Cc1ccccc1CCC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000537365286 601587352 /nfs/dbraw/zinc/58/73/52/601587352.db2.gz LKLSEFLRNXQUEO-KRWDZBQOSA-N -1 0 331.799 3.523 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N(Cc2cccs2)CC(F)(F)F)C1 ZINC000833184907 601598136 /nfs/dbraw/zinc/59/81/36/601598136.db2.gz IJWVXILAHVNSBF-MNOVXSKESA-N -1 0 349.374 3.530 20 0 EHADRM O=C([O-])[C@@H](OC(=O)Cc1c(F)cccc1F)c1cccc(Cl)c1 ZINC000833116952 601600404 /nfs/dbraw/zinc/60/04/04/601600404.db2.gz UKTXYULLVZVORD-HNNXBMFYSA-N -1 0 340.709 3.530 20 0 EHADRM Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000237703882 601612949 /nfs/dbraw/zinc/61/29/49/601612949.db2.gz PHVWPBIPFATYCL-UHFFFAOYSA-N -1 0 346.386 3.936 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)Cc1cc(Cl)ccc1Cl ZINC000238077988 601613606 /nfs/dbraw/zinc/61/36/06/601613606.db2.gz LUZUBOZRGRIFFT-UHFFFAOYSA-N -1 0 338.190 3.802 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000324513495 601613813 /nfs/dbraw/zinc/61/38/13/601613813.db2.gz NLKSZDZLCFKXNV-UHFFFAOYSA-N -1 0 327.311 3.760 20 0 EHADRM CCOc1ccc(NC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000830085610 601614463 /nfs/dbraw/zinc/61/44/63/601614463.db2.gz ZCOZWCYVEPODEO-SUMWQHHRSA-N -1 0 342.395 3.669 20 0 EHADRM C[C@H](CNC(=O)Nc1ccccc1SCc1ccccc1)C(=O)[O-] ZINC000827492569 601616170 /nfs/dbraw/zinc/61/61/70/601616170.db2.gz FTDAZDWHOXKYQY-CYBMUJFWSA-N -1 0 344.436 3.821 20 0 EHADRM Cn1c(C(=O)Nc2ccccc2CC(=O)[O-])ccc1-c1ccccc1 ZINC000237727546 601616339 /nfs/dbraw/zinc/61/63/39/601616339.db2.gz ZQQOIAPZPQLRMR-UHFFFAOYSA-N -1 0 334.375 3.572 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N[C@H](CC(=O)[O-])C2CC2)cc1Cl ZINC000827054479 601616726 /nfs/dbraw/zinc/61/67/26/601616726.db2.gz LFWNCACRVIIADS-CYBMUJFWSA-N -1 0 340.807 3.502 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N[C@@H](CC(=O)[O-])C2CC2)cc1Cl ZINC000827054480 601616813 /nfs/dbraw/zinc/61/68/13/601616813.db2.gz LFWNCACRVIIADS-ZDUSSCGKSA-N -1 0 340.807 3.502 20 0 EHADRM Cc1ccc(CCCCC(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000237705043 601617312 /nfs/dbraw/zinc/61/73/12/601617312.db2.gz IIQWNZITLYYSBZ-UHFFFAOYSA-N -1 0 325.408 3.974 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000324599317 601617726 /nfs/dbraw/zinc/61/77/26/601617726.db2.gz IEUXCSWKZYQEJQ-UHFFFAOYSA-N -1 0 327.311 3.760 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c(F)c1 ZINC000832913543 601619511 /nfs/dbraw/zinc/61/95/11/601619511.db2.gz IMIUUPPVVQIERP-HNNXBMFYSA-N -1 0 335.762 3.733 20 0 EHADRM CC(C)CCSCC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000262049797 601621271 /nfs/dbraw/zinc/62/12/71/601621271.db2.gz FIBJXRPLBWLTPI-AWEZNQCLSA-N -1 0 343.876 3.751 20 0 EHADRM Cc1ccc([C@H](C)C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)o1 ZINC000832922560 601622542 /nfs/dbraw/zinc/62/25/42/601622542.db2.gz BPVQBKIMMVRCRO-FZMZJTMJSA-N -1 0 335.787 3.677 20 0 EHADRM C[C@H](CC(=O)N1CCCC[C@@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000136514145 601626467 /nfs/dbraw/zinc/62/64/67/601626467.db2.gz DFJGBJIGXDJCJY-BXUZGUMPSA-N -1 0 343.345 3.665 20 0 EHADRM CC1(C)CO[C@@H](c2ccccc2)CN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000575073444 601627548 /nfs/dbraw/zinc/62/75/48/601627548.db2.gz AITGLUIXJAFTJN-GOSISDBHSA-N -1 0 343.398 3.876 20 0 EHADRM CCN(CC)C(=O)c1ccc(OCc2cc(C(=O)[O-])sc2C)cc1 ZINC000829658325 601636409 /nfs/dbraw/zinc/63/64/09/601636409.db2.gz CSXVWAIZEFHDED-UHFFFAOYSA-N -1 0 347.436 3.816 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)[C@H]1C[C@@H]1Cc1ccccc1 ZINC000833334448 601658773 /nfs/dbraw/zinc/65/87/73/601658773.db2.gz OCSMXNKTULPUQA-YJBOKZPZSA-N -1 0 335.403 3.543 20 0 EHADRM CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(NC(=O)[O-])cc2)C1(CC)CC ZINC000829917257 601662846 /nfs/dbraw/zinc/66/28/46/601662846.db2.gz FAOSKULCRVOBRO-HOTGVXAUSA-N -1 0 348.443 3.832 20 0 EHADRM O=C(C[C@@H]1CCCCO1)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC000833093285 601669426 /nfs/dbraw/zinc/66/94/26/601669426.db2.gz ADFRJCOCEBNCSP-NSHDSACASA-N -1 0 337.441 3.613 20 0 EHADRM Cc1ccc2c(C)cc(=O)n(Cc3ccc(C(=O)[O-])c(F)c3)c2c1 ZINC000832959014 601674310 /nfs/dbraw/zinc/67/43/10/601674310.db2.gz AKYLQBGJAGTDQU-UHFFFAOYSA-N -1 0 325.339 3.504 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)c2cc(F)cc(Cl)c2)c2ccccc21 ZINC000833217353 601676170 /nfs/dbraw/zinc/67/61/70/601676170.db2.gz GXIVDIKHYQKQLE-LLVKDONJSA-N -1 0 333.746 3.698 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1F ZINC000327099821 601677165 /nfs/dbraw/zinc/67/71/65/601677165.db2.gz CWAGJTMVYSOOLS-ZDUSSCGKSA-N -1 0 344.386 3.735 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1Oc1c(F)c(F)nc(F)c1F ZINC000831976647 601679105 /nfs/dbraw/zinc/67/91/05/601679105.db2.gz NLVDSGDOZUWUAU-HWKANZROSA-N -1 0 343.232 3.537 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)CCCc1ccc(F)c(F)c1 ZINC000238069017 601683035 /nfs/dbraw/zinc/68/30/35/601683035.db2.gz GVDAOILBDXVPKG-UHFFFAOYSA-N -1 0 333.334 3.553 20 0 EHADRM O=C([O-])[C@]1(F)CCN(C(=O)Nc2ccc3oc4ccccc4c3c2)C1 ZINC000833157941 601685420 /nfs/dbraw/zinc/68/54/20/601685420.db2.gz KBYFIPVGXDEEIE-SFHVURJKSA-N -1 0 342.326 3.617 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000833139363 601692087 /nfs/dbraw/zinc/69/20/87/601692087.db2.gz JUIDYESSOLBDJN-ZYHUDNBSSA-N -1 0 344.333 3.875 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000828401292 601693871 /nfs/dbraw/zinc/69/38/71/601693871.db2.gz FPHGOHKKLVBUQZ-CJNGLKHVSA-N -1 0 341.432 3.631 20 0 EHADRM Cc1cc([C@H](C)NC(=O)Nc2ccc(CC(=O)[O-])cc2)ccc1F ZINC000832870256 601702400 /nfs/dbraw/zinc/70/24/00/601702400.db2.gz FPJYPYZEQLFEBK-LBPRGKRZSA-N -1 0 330.359 3.644 20 0 EHADRM C[C@@H]1CN(C(=O)C2(Cc3cccc(Cl)c3)CCCC2)C[C@@H]1C(=O)[O-] ZINC000828318073 601707448 /nfs/dbraw/zinc/70/74/48/601707448.db2.gz KQAUJJQIBHTFJF-CJNGLKHVSA-N -1 0 349.858 3.622 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccc(F)cc1F ZINC000736648783 601723904 /nfs/dbraw/zinc/72/39/04/601723904.db2.gz KSUDVZCOUZMOKN-SNVBAGLBSA-N -1 0 349.337 3.615 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)Cc1c[nH]c2cc(C)ccc12 ZINC000832959038 601727055 /nfs/dbraw/zinc/72/70/55/601727055.db2.gz AUBUNUCTNHHZNS-UHFFFAOYSA-N -1 0 343.404 3.830 20 0 EHADRM CCc1ccc(CC)c(NC(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000830244934 601729509 /nfs/dbraw/zinc/72/95/09/601729509.db2.gz LXIWEUUOFLLSOV-UHFFFAOYSA-N -1 0 326.396 3.831 20 0 EHADRM O=C([O-])c1ccc(COC(=O)C[C@@H]2CCOc3ccccc32)cc1F ZINC000833097739 601730201 /nfs/dbraw/zinc/73/02/01/601730201.db2.gz RBEFMMOOTQTQRB-ZDUSSCGKSA-N -1 0 344.338 3.524 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cccc2cc[nH]c21)c1ccc(Cl)cc1 ZINC000346018057 601732068 /nfs/dbraw/zinc/73/20/68/601732068.db2.gz TTXABVSQLAITPI-HNNXBMFYSA-N -1 0 342.782 3.767 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1ccc(F)c(F)c1F ZINC000833033598 601734884 /nfs/dbraw/zinc/73/48/84/601734884.db2.gz XVVBWERPCIWDKU-UHFFFAOYSA-N -1 0 330.283 3.529 20 0 EHADRM Cc1ccc(CCC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cc1Cl ZINC000678987716 601738863 /nfs/dbraw/zinc/73/88/63/601738863.db2.gz SJYZKFPAELWUBB-QGZVFWFLSA-N -1 0 349.789 3.662 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000828759540 601741202 /nfs/dbraw/zinc/74/12/02/601741202.db2.gz VMESLJGSMJBVDR-SJKOYZFVSA-N -1 0 345.370 3.559 20 0 EHADRM CC(C)[C@H](CC(=O)N[C@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000678989098 601741378 /nfs/dbraw/zinc/74/13/78/601741378.db2.gz WNUUZDAJCNZSKC-LPHOPBHVSA-N -1 0 343.398 3.898 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2C)c(F)c1)C(=O)[O-] ZINC000236979131 601752107 /nfs/dbraw/zinc/75/21/07/601752107.db2.gz RVHSMRKQTXMBTC-MRXNPFEDSA-N -1 0 333.334 3.533 20 0 EHADRM CCCC[C@H](NC(=O)Nc1cccc(OCC(=O)[O-])c1)C1CCC1 ZINC000829295454 601752558 /nfs/dbraw/zinc/75/25/58/601752558.db2.gz FFJQFRDKEUOOSJ-INIZCTEOSA-N -1 0 334.416 3.630 20 0 EHADRM CC(C)(CNC(=O)Nc1ccccc1Oc1cccc(F)c1)C(=O)[O-] ZINC000826590577 601753815 /nfs/dbraw/zinc/75/38/15/601753815.db2.gz MVHCUSHCABLICW-UHFFFAOYSA-N -1 0 346.358 3.850 20 0 EHADRM COc1ccc2oc(C)c(C(=O)N[C@@H](C(=O)[O-])C3CCCCC3)c2c1 ZINC000832510371 601753890 /nfs/dbraw/zinc/75/38/90/601753890.db2.gz IZTZAZHERIUBCR-QGZVFWFLSA-N -1 0 345.395 3.513 20 0 EHADRM Cn1cc(CCc2nc(-c3ccc(C(=O)[O-])cc3)no2)c2ccccc21 ZINC000833044736 601772499 /nfs/dbraw/zinc/77/24/99/601772499.db2.gz CYXHVGQDMRSHGM-UHFFFAOYSA-N -1 0 347.374 3.712 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CC[C@@H](C(C)C)C1 ZINC000827041445 601789566 /nfs/dbraw/zinc/78/95/66/601789566.db2.gz DSIUOICHFFCBHG-CQSZACIVSA-N -1 0 334.416 3.682 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)c1 ZINC000833298026 601795393 /nfs/dbraw/zinc/79/53/93/601795393.db2.gz QTOZZYLGMHZBEL-CYBMUJFWSA-N -1 0 348.790 3.520 20 0 EHADRM C[C@@H]1CN(C(=O)N[C@H](CC(C)(C)C)c2ccccc2)C[C@H]1C(=O)[O-] ZINC000828347155 601803483 /nfs/dbraw/zinc/80/34/83/601803483.db2.gz CQBNOPVGICIPII-FVQBIDKESA-N -1 0 332.444 3.526 20 0 EHADRM C[C@H](OCc1ccccc1)C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000827879291 601808029 /nfs/dbraw/zinc/80/80/29/601808029.db2.gz NGUATYPRGCUPIW-NSHDSACASA-N -1 0 345.420 3.868 20 0 EHADRM O=C([O-])c1sccc1CSc1nnc(CCc2ccccc2)o1 ZINC000833347883 601811149 /nfs/dbraw/zinc/81/11/49/601811149.db2.gz HEKYACZQRREYHY-UHFFFAOYSA-N -1 0 346.433 3.907 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@@H](C)c1ccc2ccccc2c1)C(=O)[O-] ZINC000424234775 601811758 /nfs/dbraw/zinc/81/17/58/601811758.db2.gz BFOCABMCRAOVOA-KBXCAEBGSA-N -1 0 327.424 3.806 20 0 EHADRM O=C([O-])c1sccc1CN[C@H](c1nccs1)c1ccccc1 ZINC000833349013 601812094 /nfs/dbraw/zinc/81/20/94/601812094.db2.gz YAKKFYYXZIUGFZ-ZDUSSCGKSA-N -1 0 330.434 3.782 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)c1ccc(F)c(F)c1F ZINC000388489378 601812473 /nfs/dbraw/zinc/81/24/73/601812473.db2.gz LYUGGVOLPBVGNY-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM CC[C@@H]1CC[C@@H](C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])O1 ZINC000829081151 601815199 /nfs/dbraw/zinc/81/51/99/601815199.db2.gz LLBWDLXHZALNJF-KOLCDFICSA-N -1 0 325.430 3.640 20 0 EHADRM C[C@H]1CCc2c(C(=O)N3CCC(CCC(=O)[O-])CC3)csc2C1 ZINC000321425068 601819781 /nfs/dbraw/zinc/81/97/81/601819781.db2.gz KZIUKXSGVNCFSG-LBPRGKRZSA-N -1 0 335.469 3.590 20 0 EHADRM O=C([O-])c1sccc1CN(Cc1ccco1)Cc1ccc(O)cc1 ZINC000833347826 601822408 /nfs/dbraw/zinc/82/24/08/601822408.db2.gz VKETTYVXIOEOBX-UHFFFAOYSA-N -1 0 343.404 3.947 20 0 EHADRM O=C([O-])CCC1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000385839497 601830627 /nfs/dbraw/zinc/83/06/27/601830627.db2.gz ZGIRPKXRKUZLBY-UHFFFAOYSA-N -1 0 336.741 3.835 20 0 EHADRM C[C@@H](SCc1ccc(C(=O)[O-])s1)C(=O)Nc1cccc(F)c1 ZINC000827909265 601847204 /nfs/dbraw/zinc/84/72/04/601847204.db2.gz WATBCOUIFUVMGD-SECBINFHSA-N -1 0 339.413 3.846 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)NCc1cccc(C(=O)[O-])c1)C1CC1 ZINC000666527500 601868714 /nfs/dbraw/zinc/86/87/14/601868714.db2.gz JPOQZNNJCMXTRL-GOSISDBHSA-N -1 0 338.407 3.644 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)/C=C\c2cccc(F)c2)cc1 ZINC000833263868 601874291 /nfs/dbraw/zinc/87/42/91/601874291.db2.gz SXPJBUXCWGCNNQ-WTKPLQERSA-N -1 0 332.352 3.621 20 0 EHADRM Cc1cc(F)c(C(=O)Oc2ccc(SCC(=O)[O-])cc2)cc1F ZINC000832887293 601875345 /nfs/dbraw/zinc/87/53/45/601875345.db2.gz NQIVFCKROFVNDO-UHFFFAOYSA-N -1 0 338.331 3.669 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000828201890 601881584 /nfs/dbraw/zinc/88/15/84/601881584.db2.gz WVNQDBVPWRGOFL-UKPHBRMFSA-N -1 0 345.443 3.682 20 0 EHADRM O=C([O-])c1ccc(CSc2nnc3sc4ccccc4n23)s1 ZINC000833316634 601890402 /nfs/dbraw/zinc/89/04/02/601890402.db2.gz BMFGPPZAZYCHQQ-UHFFFAOYSA-N -1 0 347.446 3.996 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2ccc(-c3ccc(F)cc3)o2)c1 ZINC000238219384 601919096 /nfs/dbraw/zinc/91/90/96/601919096.db2.gz ISWFZZJSHDTMEK-UHFFFAOYSA-N -1 0 339.322 3.714 20 0 EHADRM CC(C)[C@@H](Sc1ccccc1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000531744047 601919528 /nfs/dbraw/zinc/91/95/28/601919528.db2.gz FWXMXBVDHPTCNE-QGZVFWFLSA-N -1 0 343.448 3.818 20 0 EHADRM CC[C@H](C)[C@H](C(=O)NCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000236984398 601920023 /nfs/dbraw/zinc/92/00/23/601920023.db2.gz UOTPMDQYYXHEPK-KSSFIOAISA-N -1 0 325.408 3.831 20 0 EHADRM O=C([O-])NC1CCC(C(=O)N2CCC[C@@H]2CC2CCCCC2)CC1 ZINC000740550998 601935276 /nfs/dbraw/zinc/93/52/76/601935276.db2.gz FRPYUFNKSWKNRU-OFLPRAFFSA-N -1 0 336.476 3.774 20 0 EHADRM O=C([O-])c1ccc(CN2CCn3cccc3[C@@H]2c2ccccc2)s1 ZINC000833313960 601942135 /nfs/dbraw/zinc/94/21/35/601942135.db2.gz BUFCBHDPABXXJL-SFHVURJKSA-N -1 0 338.432 3.853 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc(OC(F)(F)F)c2)cc1 ZINC000190601134 601950395 /nfs/dbraw/zinc/95/03/95/601950395.db2.gz KQANQCXZNUCNDZ-UHFFFAOYSA-N -1 0 325.242 3.536 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NCc2ccn(C3CCCC3)n2)cc1 ZINC000826127146 601962308 /nfs/dbraw/zinc/96/23/08/601962308.db2.gz OQBZKRNLLCHJSQ-UHFFFAOYSA-N -1 0 327.428 3.973 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)Nc2ccc3oc4ccccc4c3c2)C1 ZINC000569578233 601982584 /nfs/dbraw/zinc/98/25/84/601982584.db2.gz OYXKIVOPYDHCOD-LJQANCHMSA-N -1 0 338.363 3.915 20 0 EHADRM C[C@H](COC(=O)c1ccc(NC(=O)[O-])cc1)COc1ccccc1 ZINC000827517307 601995286 /nfs/dbraw/zinc/99/52/86/601995286.db2.gz JYSWGVHWHHQTDC-ZDUSSCGKSA-N -1 0 329.352 3.648 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cn1 ZINC000740708554 601996630 /nfs/dbraw/zinc/99/66/30/601996630.db2.gz HFGVAOFPYRUEAL-UHFFFAOYSA-N -1 0 338.367 3.614 20 0 EHADRM Cn1ccc2c1cccc2C(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC000833055096 601998784 /nfs/dbraw/zinc/99/87/84/601998784.db2.gz BTWBEWIWVMQWMO-UHFFFAOYSA-N -1 0 341.388 3.574 20 0 EHADRM O=C([O-])c1ccc(COC(=O)Cc2csc3ccccc23)s1 ZINC000833119592 602004681 /nfs/dbraw/zinc/00/46/81/602004681.db2.gz PEVUEHYAFSBBTM-UHFFFAOYSA-N -1 0 332.402 3.947 20 0 EHADRM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000739583062 602007186 /nfs/dbraw/zinc/00/71/86/602007186.db2.gz GREANZWATFVURS-SNVBAGLBSA-N -1 0 346.214 3.600 20 0 EHADRM O=C([O-])c1ccc(COC(=O)/C=C\c2ccnc3ccccc23)s1 ZINC000833095294 602010200 /nfs/dbraw/zinc/01/02/00/602010200.db2.gz RJFKOBYSSRNUSD-YVMONPNESA-N -1 0 339.372 3.751 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@@H]2CCSc3ccccc32)s1 ZINC000833316130 602011668 /nfs/dbraw/zinc/01/16/68/602011668.db2.gz QZNUZENYECIPPO-GFCCVEGCSA-N -1 0 334.418 3.769 20 0 EHADRM CCC[C@@H](C)CC(=O)N(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000829208024 602013671 /nfs/dbraw/zinc/01/36/71/602013671.db2.gz HQDSMYWKVGJGHA-RFAUZJTJSA-N -1 0 331.334 3.514 20 0 EHADRM CCOCCC1(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CCCC1 ZINC000237037843 602013892 /nfs/dbraw/zinc/01/38/92/602013892.db2.gz PUEIAUSNESYYQH-UHFFFAOYSA-N -1 0 339.819 3.964 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccccc2SCc2ccco2)C1 ZINC000678982098 602017025 /nfs/dbraw/zinc/01/70/25/602017025.db2.gz CPICHKCMGNMHME-SFHVURJKSA-N -1 0 345.420 3.509 20 0 EHADRM CSc1cccc(NC(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])c1 ZINC000832790226 602025718 /nfs/dbraw/zinc/02/57/18/602025718.db2.gz KKSJUSLZJZULPP-GJZGRUSLSA-N -1 0 336.457 3.954 20 0 EHADRM CSc1cccc(NC(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])c1 ZINC000832790227 602025776 /nfs/dbraw/zinc/02/57/76/602025776.db2.gz KKSJUSLZJZULPP-HUUCEWRRSA-N -1 0 336.457 3.954 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccccc2Sc2ccccc2)C1 ZINC000237654916 602033982 /nfs/dbraw/zinc/03/39/82/602033982.db2.gz GDDPZSNSBIGXAA-LJQANCHMSA-N -1 0 341.432 3.775 20 0 EHADRM Cc1ccc(Nc2ccccc2C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000583399050 602036638 /nfs/dbraw/zinc/03/66/38/602036638.db2.gz VGKPIFZDLKUVLC-HXUWFJFHSA-N -1 0 338.407 3.675 20 0 EHADRM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1cc(Cl)ccc1NCc1ccccc1 ZINC000833180783 602037484 /nfs/dbraw/zinc/03/74/84/602037484.db2.gz IGBHCHJRLYRJPJ-KGLIPLIRSA-N -1 0 344.798 3.611 20 0 EHADRM O=C(/C=C/SCc1ccco1)N[C@@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000776681424 602049843 /nfs/dbraw/zinc/04/98/43/602049843.db2.gz FVTWOWVNYYBYKS-IANUHJRKSA-N -1 0 337.441 3.566 20 0 EHADRM C[C@@H](NC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC000261934790 602055138 /nfs/dbraw/zinc/05/51/38/602055138.db2.gz KEERYYLTYMNLBV-PSLIRLAXSA-N -1 0 345.226 3.561 20 0 EHADRM CCCCC[C@H](C)NC(=O)N1CCC[C@@H]([C@H]2CCCN2C(=O)[O-])C1 ZINC000739330996 602055607 /nfs/dbraw/zinc/05/56/07/602055607.db2.gz OTOPBNYFIXIYML-ARFHVFGLSA-N -1 0 339.480 3.519 20 0 EHADRM C[C@H](C(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1)C1CC1 ZINC000826008767 602063782 /nfs/dbraw/zinc/06/37/82/602063782.db2.gz MZPJBNBFPIGCMX-ZDUSSCGKSA-N -1 0 339.391 3.948 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000325577335 602068802 /nfs/dbraw/zinc/06/88/02/602068802.db2.gz OSUXHULOJIOMKG-UHFFFAOYSA-N -1 0 327.311 3.760 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2cccc(CC(=O)[O-])c2)o1 ZINC000325677170 602074292 /nfs/dbraw/zinc/07/42/92/602074292.db2.gz HGPJUCBKPZMEKP-LRDDRELGSA-N -1 0 327.380 3.601 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N[C@@H](CCCc1ccccc1)c1ccccc1 ZINC000827270636 602083941 /nfs/dbraw/zinc/08/39/41/602083941.db2.gz BTWINIUAHQXGFK-LPHOPBHVSA-N -1 0 339.435 3.978 20 0 EHADRM CCCCO[C@H](C)C(=O)O[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000829413844 602084852 /nfs/dbraw/zinc/08/48/52/602084852.db2.gz YOCMIPHBYKZZTH-NOZJJQNGSA-N -1 0 349.210 3.868 20 0 EHADRM CN(C(=O)NCCCCCCCC(=O)[O-])[C@@H]1CCc2ccccc21 ZINC000830499785 602093669 /nfs/dbraw/zinc/09/36/69/602093669.db2.gz CSUVAWVVTXUUGM-QGZVFWFLSA-N -1 0 332.444 3.741 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)c1cc(C(F)(F)F)ccc1F ZINC000391339073 602096950 /nfs/dbraw/zinc/09/69/50/602096950.db2.gz HYSRNLSCNRJDIR-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM CCc1noc(C)c1CNc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000830344164 602112733 /nfs/dbraw/zinc/11/27/33/602112733.db2.gz LAOKNRCUSRVZMQ-UHFFFAOYSA-N -1 0 340.379 3.774 20 0 EHADRM CSc1cc(C(=O)N(CC(=O)[O-])C(C)C)c(Cl)cc1Cl ZINC000181643281 602117169 /nfs/dbraw/zinc/11/71/69/602117169.db2.gz OWRFOGIRCLFWJW-UHFFFAOYSA-N -1 0 336.240 3.651 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc2sccc2c1 ZINC000262218675 602118454 /nfs/dbraw/zinc/11/84/54/602118454.db2.gz WXFONHZNZXHANQ-CQDKDKBSSA-N -1 0 329.421 3.759 20 0 EHADRM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=S)NCCCC(=O)[O-] ZINC000832890870 602120943 /nfs/dbraw/zinc/12/09/43/602120943.db2.gz FIHYZCYUUFWLAK-CQSZACIVSA-N -1 0 349.500 3.525 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000827272619 602121181 /nfs/dbraw/zinc/12/11/81/602121181.db2.gz OTPBCCCHHKPFOO-BMIGLBTASA-N -1 0 337.828 3.718 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)Nc1ccc2oc(C(C)C)nc2c1 ZINC000739230748 602121550 /nfs/dbraw/zinc/12/15/50/602121550.db2.gz GHIOFJAPNCLQQY-HZMBPMFUSA-N -1 0 333.388 3.572 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N[C@H](c1ccc(C(C)(C)C)cc1)C(F)(F)F ZINC000827274954 602123091 /nfs/dbraw/zinc/12/30/91/602123091.db2.gz YVLZOKLQESEYMC-IINYFYTJSA-N -1 0 345.361 3.815 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N1CCC(c2cccc3ccccc32)CC1 ZINC000827255792 602131992 /nfs/dbraw/zinc/13/19/92/602131992.db2.gz GAJAZZSICHDKAK-AWEZNQCLSA-N -1 0 325.408 3.657 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)Nc1ccc(-c2nc(C)c(C)o2)cc1 ZINC000739229457 602134077 /nfs/dbraw/zinc/13/40/77/602134077.db2.gz GLJMFSVRIXZJMN-ZUZCIYMTSA-N -1 0 345.399 3.579 20 0 EHADRM COc1ccc(CCNc2nc(Cl)c(C(=O)[O-])s2)c(Cl)c1 ZINC000832304361 602136140 /nfs/dbraw/zinc/13/61/40/602136140.db2.gz KGLPAALYDYIXRX-UHFFFAOYSA-N -1 0 347.223 3.811 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc2sccc2c1)c1cc(F)ccc1F ZINC000776616394 602136713 /nfs/dbraw/zinc/13/67/13/602136713.db2.gz HWXATFINFSSQPK-HNNXBMFYSA-N -1 0 347.342 3.735 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)Nc1ccc(Oc2ccncc2)c(Cl)c1 ZINC000827310798 602137283 /nfs/dbraw/zinc/13/72/83/602137283.db2.gz MQHCAVYAQLBPPS-SNVBAGLBSA-N -1 0 334.759 3.577 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000263357816 602140147 /nfs/dbraw/zinc/14/01/47/602140147.db2.gz XOSQASZQGVEYNF-ZWKOTPCHSA-N -1 0 347.455 3.837 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=S)Nc1ccccc1F)c1ccccc1 ZINC000826105748 602152226 /nfs/dbraw/zinc/15/22/26/602152226.db2.gz HZUVZWZFTLEZNR-HNNXBMFYSA-N -1 0 346.427 3.964 20 0 EHADRM Cc1csc([C@@H]2CCCCN2C(=O)c2cccc(NC(=O)[O-])c2)n1 ZINC000738817363 602158132 /nfs/dbraw/zinc/15/81/32/602158132.db2.gz ZZQSJRLLUINKQT-AWEZNQCLSA-N -1 0 345.424 3.909 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)Nc1ccccc1O[C@@H](C)c1ccccc1 ZINC000827316526 602163693 /nfs/dbraw/zinc/16/36/93/602163693.db2.gz ATYMLAWKLATUJD-KBPBESRZSA-N -1 0 327.380 3.876 20 0 EHADRM Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)[C@H](C)CC(=O)[O-] ZINC000832984411 602168079 /nfs/dbraw/zinc/16/80/79/602168079.db2.gz PNWGUFMQVVEWDY-HIFRSBDPSA-N -1 0 331.437 3.567 20 0 EHADRM Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccccc1NC(=O)[O-] ZINC000740273159 602177845 /nfs/dbraw/zinc/17/78/45/602177845.db2.gz VIUPYQRAQSUJBZ-UHFFFAOYSA-N -1 0 337.335 3.992 20 0 EHADRM O=C([O-])c1csc(NC(=O)CSc2ccc(Cl)cc2)c1 ZINC000191327042 602178735 /nfs/dbraw/zinc/17/87/35/602178735.db2.gz IAZZIEZMLRNVKD-UHFFFAOYSA-N -1 0 327.814 3.831 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)CSCc1ccc(F)cc1 ZINC000740713938 602179824 /nfs/dbraw/zinc/17/98/24/602179824.db2.gz FIBYMFMXHBXFTC-UHFFFAOYSA-N -1 0 334.372 3.788 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2ccc(-c3ccco3)s2)cc1 ZINC000833266934 602181015 /nfs/dbraw/zinc/18/10/15/602181015.db2.gz ZUPLYYPHOQUMSP-UHFFFAOYSA-N -1 0 327.361 3.888 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2ccc(Oc3cccnc3)cc2)c1 ZINC000191384429 602181545 /nfs/dbraw/zinc/18/15/45/602181545.db2.gz AODZIXNHARTHRV-UHFFFAOYSA-N -1 0 340.360 3.886 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2)c1 ZINC000191340829 602181872 /nfs/dbraw/zinc/18/18/72/602181872.db2.gz ZUQWVKJXBLHZON-UHFFFAOYSA-N -1 0 347.783 3.538 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2occc2COc2ccccc2)c1 ZINC000191357201 602182247 /nfs/dbraw/zinc/18/22/47/602182247.db2.gz PPXNEHGRKBBJQI-UHFFFAOYSA-N -1 0 343.360 3.871 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N1CCc2cc(Cl)cc(Cl)c2[C@H]1C ZINC000827262265 602196934 /nfs/dbraw/zinc/19/69/34/602196934.db2.gz HGYUUSRCCFPJMP-RKDXNWHRSA-N -1 0 330.211 3.550 20 0 EHADRM C[C@H](CC(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccc(F)cc1 ZINC000738890984 602198873 /nfs/dbraw/zinc/19/88/73/602198873.db2.gz LSKNOZSXTXNZHQ-GFCCVEGCSA-N -1 0 330.359 3.726 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)c2csc3ccccc23)c1 ZINC000740680784 602201132 /nfs/dbraw/zinc/20/11/32/602201132.db2.gz VBCBFNMBBXILHQ-UHFFFAOYSA-N -1 0 326.377 3.921 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000740042488 602203955 /nfs/dbraw/zinc/20/39/55/602203955.db2.gz VMKJPIKEKNYHDT-UHFFFAOYSA-N -1 0 342.326 3.900 20 0 EHADRM C[C@H]1CCCCN1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000828251959 602224229 /nfs/dbraw/zinc/22/42/29/602224229.db2.gz OMDKXTSSFWYWFW-ZDUSSCGKSA-N -1 0 342.395 3.710 20 0 EHADRM CC[C@@H](C)[C@@H](C)NC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000828710095 602227559 /nfs/dbraw/zinc/22/75/59/602227559.db2.gz VWKWXLQLJMDRSW-CHWSQXEVSA-N -1 0 344.411 3.859 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)c3ccc(OC(F)F)cc3)ccc21 ZINC000740470989 602240810 /nfs/dbraw/zinc/24/08/10/602240810.db2.gz RPKWLKPZQSSIFH-UHFFFAOYSA-N -1 0 348.305 3.581 20 0 EHADRM CC[C@@H](Sc1nnc(-c2cccs2)n1Cc1ccco1)C(=O)[O-] ZINC000829020259 602242341 /nfs/dbraw/zinc/24/23/41/602242341.db2.gz CAAVZZOFBNGJIZ-LLVKDONJSA-N -1 0 349.437 3.603 20 0 EHADRM CCC/C(C)=C/C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000829208324 602260057 /nfs/dbraw/zinc/26/00/57/602260057.db2.gz KHSPOPNMEWXKDH-ACCUITESSA-N -1 0 327.380 3.988 20 0 EHADRM C[C@@H]1CCC[C@@H](N(C)C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])C1 ZINC000739089481 602275938 /nfs/dbraw/zinc/27/59/38/602275938.db2.gz FUZYTODGRXNEOP-IUODEOHRSA-N -1 0 331.416 3.770 20 0 EHADRM COc1c(F)cc(F)cc1NC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000831852266 602283505 /nfs/dbraw/zinc/28/35/05/602283505.db2.gz VBIIPYGYRDGCSC-UHFFFAOYSA-N -1 0 337.282 3.707 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)c1 ZINC000191348030 602283924 /nfs/dbraw/zinc/28/39/24/602283924.db2.gz DTOIYXBXGOEOOI-UHFFFAOYSA-N -1 0 347.783 3.742 20 0 EHADRM COc1cc(NC(=O)N2CCC[C@@H]2C2CCC2)ccc1NC(=O)[O-] ZINC000739864688 602285247 /nfs/dbraw/zinc/28/52/47/602285247.db2.gz BJFWTGHTDYDTCH-CQSZACIVSA-N -1 0 333.388 3.582 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)c1ccncc1 ZINC000827235412 602296825 /nfs/dbraw/zinc/29/68/25/602296825.db2.gz VBLAOMIAMTXSET-LRDDRELGSA-N -1 0 346.814 3.561 20 0 EHADRM CN(C(=O)Nc1cc(Cl)ccc1Cl)C1CCN(C(=O)[O-])CC1 ZINC000739576276 602304535 /nfs/dbraw/zinc/30/45/35/602304535.db2.gz PXOHLVBEGPYKCF-UHFFFAOYSA-N -1 0 346.214 3.600 20 0 EHADRM C[C@H]1CC[C@H](CC(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)C1 ZINC000828221016 602312190 /nfs/dbraw/zinc/31/21/90/602312190.db2.gz GPAJICDMRFGRQF-UWVGGRQHSA-N -1 0 333.413 3.601 20 0 EHADRM COc1ccccc1-c1nc(CN(CC(=O)[O-])C2CCCC2)cs1 ZINC000515312294 602329890 /nfs/dbraw/zinc/32/98/90/602329890.db2.gz IGSASMVBTPJWAW-UHFFFAOYSA-N -1 0 346.452 3.648 20 0 EHADRM CC[C@H](NC(=O)[O-])C(=O)Nc1ccccc1Oc1ccc(C)cc1 ZINC000739531676 602336665 /nfs/dbraw/zinc/33/66/65/602336665.db2.gz UYIGTEIQEJAIKI-AWEZNQCLSA-N -1 0 328.368 3.772 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)CCN(C(=O)[O-])C(C)C)cc2)cs1 ZINC000740207732 602350426 /nfs/dbraw/zinc/35/04/26/602350426.db2.gz JIQIOGWDFQKRKE-UHFFFAOYSA-N -1 0 347.440 3.836 20 0 EHADRM COc1ccc(NC(=O)Cc2ccc(C)cc2Cl)c(C(=O)[O-])c1 ZINC000832398883 602351944 /nfs/dbraw/zinc/35/19/44/602351944.db2.gz URTXWNRYZQRAAC-UHFFFAOYSA-N -1 0 333.771 3.536 20 0 EHADRM CC(C)C[C@H]1CCCN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC000826831772 602352440 /nfs/dbraw/zinc/35/24/40/602352440.db2.gz GYMAXCWDBUDKSZ-OAHLLOKOSA-N -1 0 348.443 3.830 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)C2(NC(=O)[O-])CCCC2)cc1 ZINC000739516564 602352857 /nfs/dbraw/zinc/35/28/57/602352857.db2.gz GLAADIXFRDGNLK-LBPRGKRZSA-N -1 0 336.457 3.556 20 0 EHADRM Cc1cc(C)cc(OCCC(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000392353469 602354790 /nfs/dbraw/zinc/35/47/90/602354790.db2.gz LNMSHXTXMPOHHY-UHFFFAOYSA-N -1 0 331.343 3.548 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)cc1F ZINC000767206127 602357435 /nfs/dbraw/zinc/35/74/35/602357435.db2.gz NGHLAPOOAJWEJL-YPMHNXCESA-N -1 0 335.281 3.544 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000767207390 602359777 /nfs/dbraw/zinc/35/97/77/602359777.db2.gz PFOWUNDEWVGYKS-LUAWRHEFSA-N -1 0 329.327 3.575 20 0 EHADRM CC(C)c1ccc(OCC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000392327830 602360585 /nfs/dbraw/zinc/36/05/85/602360585.db2.gz VCAZIWRCYMSBPN-UHFFFAOYSA-N -1 0 331.343 3.665 20 0 EHADRM Cn1cc(NC(=O)N(Cc2ccccc2)CC2CCC2)cc1C(=O)[O-] ZINC000833047792 602360811 /nfs/dbraw/zinc/36/08/11/602360811.db2.gz SDROSDVPGWFNPR-UHFFFAOYSA-N -1 0 341.411 3.558 20 0 EHADRM CC(C)CN(CC(C)(C)C)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000826870963 602363140 /nfs/dbraw/zinc/36/31/40/602363140.db2.gz IGXUFPNOJLJPHY-UHFFFAOYSA-N -1 0 336.432 3.686 20 0 EHADRM CN(Cc1csc2ccccc12)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000830869785 602364339 /nfs/dbraw/zinc/36/43/39/602364339.db2.gz JFOGCJNSUZBMNI-UHFFFAOYSA-N -1 0 343.408 3.602 20 0 EHADRM Cc1ccc([C@H](CNC(=O)Nc2cc(C)ccc2Cl)C(=O)[O-])cc1 ZINC000832924727 602368067 /nfs/dbraw/zinc/36/80/67/602368067.db2.gz YNWXJABRGWYDOU-AWEZNQCLSA-N -1 0 346.814 3.947 20 0 EHADRM Cn1cc(NC(=O)N[C@H]2CCCC[C@H]2c2ccccc2)cc1C(=O)[O-] ZINC000833052074 602372093 /nfs/dbraw/zinc/37/20/93/602372093.db2.gz UYUMTBCWBFYYHM-HOTGVXAUSA-N -1 0 341.411 3.571 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@@H]2CCc3cc(Cl)ccc32)cc1F ZINC000833153616 602372117 /nfs/dbraw/zinc/37/21/17/602372117.db2.gz NLJQITHLXFNCCT-OAHLLOKOSA-N -1 0 348.761 3.986 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCC[C@H]2Cc2ccccc2)cc1F ZINC000833319894 602372422 /nfs/dbraw/zinc/37/24/22/602372422.db2.gz PCYMGESCXFLXSG-HNNXBMFYSA-N -1 0 342.370 3.763 20 0 EHADRM O=C([O-])NC1(C(=O)Nc2cccc(OC3CCCC3)c2)CCCC1 ZINC000740542420 602376610 /nfs/dbraw/zinc/37/66/10/602376610.db2.gz GMYNUDOFFKCOGE-UHFFFAOYSA-N -1 0 332.400 3.527 20 0 EHADRM CCOc1cc(Cl)ccc1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000830049634 602380513 /nfs/dbraw/zinc/38/05/13/602380513.db2.gz LCCZQXCUMJUDLU-UHFFFAOYSA-N -1 0 348.786 3.759 20 0 EHADRM CCC[C@H](NC(=O)[O-])C(=O)N(C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000739302055 602381443 /nfs/dbraw/zinc/38/14/43/602381443.db2.gz HLGWONFUGSRKDB-MFKMUULPSA-N -1 0 346.349 3.661 20 0 EHADRM C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000828520964 602382589 /nfs/dbraw/zinc/38/25/89/602382589.db2.gz DXKPFZZJVFJMSW-JTQLQIEISA-N -1 0 346.333 3.814 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000827063005 602386568 /nfs/dbraw/zinc/38/65/68/602386568.db2.gz MTKIRILCBXTVQN-UHFFFAOYSA-N -1 0 332.331 3.955 20 0 EHADRM C[C@@H](NC(=O)[C@H](NC(=O)[O-])c1ccccc1)c1ccc(Cl)s1 ZINC000739022432 602388437 /nfs/dbraw/zinc/38/84/37/602388437.db2.gz WBICSOIVENYBFJ-NOZJJQNGSA-N -1 0 338.816 3.588 20 0 EHADRM CCc1[nH]c(C(=O)Nc2cc(C(C)=O)ccc2Cl)c(C)c1C(=O)[O-] ZINC000830197462 602398604 /nfs/dbraw/zinc/39/86/04/602398604.db2.gz VHKZLSPFPBTLEZ-UHFFFAOYSA-N -1 0 348.786 3.692 20 0 EHADRM Cc1cc(-c2noc(Cc3ccc(NC(=O)[O-])cc3)n2)ccc1F ZINC000740047691 602406604 /nfs/dbraw/zinc/40/66/04/602406604.db2.gz GWAGVCKBCKMMJU-UHFFFAOYSA-N -1 0 327.315 3.865 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(-c2cnc(C(C)(C)C)s2)n1 ZINC000738816880 602406755 /nfs/dbraw/zinc/40/67/55/602406755.db2.gz NDCMDFBBXFWBJC-SECBINFHSA-N -1 0 338.433 3.845 20 0 EHADRM Cc1ccc(C(=O)CCc2nc([C@H](CC(C)C)NC(=O)[O-])no2)cc1 ZINC000740103923 602408649 /nfs/dbraw/zinc/40/86/49/602408649.db2.gz PQWGBRCGSXHKCV-AWEZNQCLSA-N -1 0 345.399 3.548 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(C[C@H](C)c2ccccc2F)n1 ZINC000738817668 602408990 /nfs/dbraw/zinc/40/89/90/602408990.db2.gz RYDOPLMRULJFES-SMDDNHRTSA-N -1 0 335.379 3.910 20 0 EHADRM Cc1ccc(OCc2nc([C@H](CC(C)C)NC(=O)[O-])no2)cc1C ZINC000740142877 602411188 /nfs/dbraw/zinc/41/11/88/602411188.db2.gz AECJWLQLBKTAQB-AWEZNQCLSA-N -1 0 333.388 3.620 20 0 EHADRM CCCN(C(=S)Nc1ccc(Cl)cc1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739346864 602431546 /nfs/dbraw/zinc/43/15/46/602431546.db2.gz RTFFRFPATOZCQE-CYBMUJFWSA-N -1 0 341.864 3.501 20 0 EHADRM CCCN(C(=S)Nc1cccc(C(C)C)c1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739346266 602432394 /nfs/dbraw/zinc/43/23/94/602432394.db2.gz PMWRMSJAICZULS-INIZCTEOSA-N -1 0 349.500 3.971 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)N[C@@H](c2ccccc2)C2CC2)c1 ZINC000740678779 602451731 /nfs/dbraw/zinc/45/17/31/602451731.db2.gz WMCMRWIQLWUJBB-KRWDZBQOSA-N -1 0 339.395 3.727 20 0 EHADRM CCC(=O)Nc1ccc(-c2csc(C3(NC(=O)[O-])CCC3)n2)cc1 ZINC000739213465 602451863 /nfs/dbraw/zinc/45/18/63/602451863.db2.gz SGCRGRVAUNHPLE-UHFFFAOYSA-N -1 0 345.424 3.805 20 0 EHADRM CCOc1ccc([C@H](C)NC(=O)c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000739497195 602482306 /nfs/dbraw/zinc/48/23/06/602482306.db2.gz OAIXCZQGMYUMQD-NSHDSACASA-N -1 0 346.358 3.805 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000738867250 602484616 /nfs/dbraw/zinc/48/46/16/602484616.db2.gz FRHDAEBIYRYWEE-UHFFFAOYSA-N -1 0 332.331 3.955 20 0 EHADRM C[C@H](c1ccco1)N(C(=O)c1ccc(F)c(NC(=O)[O-])c1)C1CC1 ZINC000739061486 602486146 /nfs/dbraw/zinc/48/61/46/602486146.db2.gz VLSPPXUUJRVVAM-SNVBAGLBSA-N -1 0 332.331 3.874 20 0 EHADRM Cc1ccccc1[C@@H]1CCN(C(=O)c2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000740179986 602487119 /nfs/dbraw/zinc/48/71/19/602487119.db2.gz BIDVHYQEWVGUCQ-CQSZACIVSA-N -1 0 342.370 3.854 20 0 EHADRM O=C([O-])NC1CCC(C(=O)N(Cc2ccco2)c2ccccc2)CC1 ZINC000740550958 602497215 /nfs/dbraw/zinc/49/72/15/602497215.db2.gz DGEOMEZSEIDVEJ-UHFFFAOYSA-N -1 0 342.395 3.639 20 0 EHADRM CC(C)(C)[C@H]1CCCN1C(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000738676819 602498917 /nfs/dbraw/zinc/49/89/17/602498917.db2.gz TWCFBLJSZFJXLI-JKSUJKDBSA-N -1 0 332.444 3.813 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)C=Cc2ccc3ccccc3n2)cc1 ZINC000740706823 602499960 /nfs/dbraw/zinc/49/99/60/602499960.db2.gz AEAAFRFNDBQGSN-VAWYXSNFSA-N -1 0 333.347 3.977 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cccnc2SC(F)F)cc1 ZINC000740711650 602501838 /nfs/dbraw/zinc/50/18/38/602501838.db2.gz GUZYLWSCFSPJDA-UHFFFAOYSA-N -1 0 339.323 3.739 20 0 EHADRM COc1ccc(S[C@H](C)C(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000739932069 602503543 /nfs/dbraw/zinc/50/35/43/602503543.db2.gz ILIJZIKNWSOVTE-LLVKDONJSA-N -1 0 346.408 3.904 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)c3csc(C4CC4)n3)ccc21 ZINC000740472404 602509667 /nfs/dbraw/zinc/50/96/67/602509667.db2.gz UDORAJYSPDUCRY-UHFFFAOYSA-N -1 0 343.408 3.703 20 0 EHADRM CC[C@H](NC(=O)[O-])C(=O)N(Cc1cccs1)c1ccc(C)cc1 ZINC000739521237 602511638 /nfs/dbraw/zinc/51/16/38/602511638.db2.gz MBLHOIDUPWMPCD-HNNXBMFYSA-N -1 0 332.425 3.636 20 0 EHADRM C/C(=C\C(=O)Nc1cccc(CNC(=O)[O-])c1)c1cccc(F)c1 ZINC000738502024 602514895 /nfs/dbraw/zinc/51/48/95/602514895.db2.gz ATTHSIUTDIWJKN-XYOKQWHBSA-N -1 0 328.343 3.635 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)c2c[nH]c3cc(Cl)ccc23)c1 ZINC000740680925 602516320 /nfs/dbraw/zinc/51/63/20/602516320.db2.gz WOWMNTUVYGSZQH-UHFFFAOYSA-N -1 0 343.770 3.841 20 0 EHADRM CC(C)(C)c1csc(CCNC(=O)c2cccc(NC(=O)[O-])c2)n1 ZINC000736299574 602520882 /nfs/dbraw/zinc/52/08/82/602520882.db2.gz MLXPYWINAGARTO-UHFFFAOYSA-N -1 0 347.440 3.503 20 0 EHADRM Cc1ccc(C)c(C(=O)COC(=O)c2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000740115951 602549456 /nfs/dbraw/zinc/54/94/56/602549456.db2.gz HEGWGUOTJVJDCG-UHFFFAOYSA-N -1 0 345.326 3.572 20 0 EHADRM Cc1cc(C)cc(NC(=O)N2CCC[C@H]([C@@H]3CCCN3C(=O)[O-])C2)c1 ZINC000740065646 602580899 /nfs/dbraw/zinc/58/08/99/602580899.db2.gz DMSLEOYLRBIJHN-RDJZCZTQSA-N -1 0 345.443 3.690 20 0 EHADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)Nc1ccc(-c2ccccc2)cc1F ZINC000738930101 602599618 /nfs/dbraw/zinc/59/96/18/602599618.db2.gz LUKMMVHVYDHBBW-LBPRGKRZSA-N -1 0 345.374 3.613 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NCCOc2ccc(Cl)cc2)cc1 ZINC000740710970 602600567 /nfs/dbraw/zinc/60/05/67/602600567.db2.gz OKAXFXKJTIDXGP-UHFFFAOYSA-N -1 0 349.774 3.630 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NCc2c(F)cccc2Cl)cc1 ZINC000740711137 602601335 /nfs/dbraw/zinc/60/13/35/602601335.db2.gz UGQRSAMOWNWXHV-UHFFFAOYSA-N -1 0 337.738 3.891 20 0 EHADRM COc1ccc([C@H](C)NC(=O)Nc2ccc(NC(=O)[O-])cc2)cc1F ZINC000739896235 602602266 /nfs/dbraw/zinc/60/22/66/602602266.db2.gz LEVWTXAMBUPNOL-JTQLQIEISA-N -1 0 347.346 3.807 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000740710355 602602634 /nfs/dbraw/zinc/60/26/34/602602634.db2.gz BCAAKIUGXJVJSL-UHFFFAOYSA-N -1 0 338.367 3.622 20 0 EHADRM CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000736907349 602602921 /nfs/dbraw/zinc/60/29/21/602602921.db2.gz PUBZLOCBYGUZQQ-AWEZNQCLSA-N -1 0 327.384 3.919 20 0 EHADRM CN(C[C@H]1CCCN(c2cc3ccccc3c(Cl)n2)C1)C(=O)[O-] ZINC000739644052 602670479 /nfs/dbraw/zinc/67/04/79/602670479.db2.gz JQKRVBKYYYWCJZ-GFCCVEGCSA-N -1 0 333.819 3.714 20 0 EHADRM Cc1cnc(-c2cccc(NC(=O)c3ccc(NC(=O)[O-])cc3)c2)o1 ZINC000738332919 602685617 /nfs/dbraw/zinc/68/56/17/602685617.db2.gz UDGZQCUWJPGAKG-UHFFFAOYSA-N -1 0 337.335 3.992 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739260203 602702592 /nfs/dbraw/zinc/70/25/92/602702592.db2.gz OHLKIEVEIYXOHR-HNNXBMFYSA-N -1 0 338.407 3.935 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)Cc1ccc(NC(=O)[O-])cc1)C1CC1 ZINC000740185727 602705631 /nfs/dbraw/zinc/70/56/31/602705631.db2.gz WHJNVPQLLHGZTO-IBGZPJMESA-N -1 0 338.407 3.895 20 0 EHADRM CCN(Cc1cccc(NC(=O)c2ccc(SC)o2)c1)C(=O)[O-] ZINC000739447256 602707269 /nfs/dbraw/zinc/70/72/69/602707269.db2.gz NLBNAJCBFDVBQS-UHFFFAOYSA-N -1 0 334.397 3.754 20 0 EHADRM C[C@H](CC(=O)Nc1cc(NC(=O)[O-])ccc1F)C(=O)c1ccccc1 ZINC000738890281 602711169 /nfs/dbraw/zinc/71/11/69/602711169.db2.gz GEMLBOVVWOYQKC-LLVKDONJSA-N -1 0 344.342 3.763 20 0 EHADRM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)CC1CCN(C(=O)[O-])CC1 ZINC000740184485 602716343 /nfs/dbraw/zinc/71/63/43/602716343.db2.gz YZWKRPZQRMNORB-LJQANCHMSA-N -1 0 346.471 3.931 20 0 EHADRM CCCCN(CCOC)C(=O)c1cc2ccccc2cc1NC(=O)[O-] ZINC000739333753 602727829 /nfs/dbraw/zinc/72/78/29/602727829.db2.gz NQZUVDRPHPAMQD-UHFFFAOYSA-N -1 0 344.411 3.818 20 0 EHADRM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2ccccc2NC(=O)[O-])c1 ZINC000739947896 602733078 /nfs/dbraw/zinc/73/30/78/602733078.db2.gz FATMWQRMMVLTJP-KBPBESRZSA-N -1 0 326.352 3.527 20 0 EHADRM Cc1ccccc1C1CCN(C(=O)CCCCCCNC(=O)[O-])CC1 ZINC000740180994 602733798 /nfs/dbraw/zinc/73/37/98/602733798.db2.gz MDSVMGNMHWCFBL-UHFFFAOYSA-N -1 0 346.471 3.919 20 0 EHADRM Cc1nc(-c2ccccc2)sc1[C@@H](C)OC(=O)CCCNC(=O)[O-] ZINC000738832417 602748826 /nfs/dbraw/zinc/74/88/26/602748826.db2.gz PXGYAIVQWFNREP-GFCCVEGCSA-N -1 0 348.424 3.771 20 0 EHADRM C[C@@H]1CN(Cc2csc(C3CCCCC3)n2)CC[C@@H]1NC(=O)[O-] ZINC000739193259 602760343 /nfs/dbraw/zinc/76/03/43/602760343.db2.gz SQRPKIXDXTVLGD-DOMZBBRYSA-N -1 0 337.489 3.669 20 0 EHADRM Cc1ccccc1CN(Cc1ccccc1)C(=O)C[C@H](C)NC(=O)[O-] ZINC000830573517 602763469 /nfs/dbraw/zinc/76/34/69/602763469.db2.gz NAEUXOZZAOMFCL-INIZCTEOSA-N -1 0 340.423 3.570 20 0 EHADRM CC(C)(CCC(=O)Nc1nc(-c2cccs2)cs1)NC(=O)[O-] ZINC000738743926 602783576 /nfs/dbraw/zinc/78/35/76/602783576.db2.gz KUFXMXFLGQJFDT-UHFFFAOYSA-N -1 0 339.442 3.637 20 0 EHADRM Cc1[nH]c2ccccc2c1C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000740034923 602784162 /nfs/dbraw/zinc/78/41/62/602784162.db2.gz OFDOCNIUYBOHEE-UHFFFAOYSA-N -1 0 327.315 3.958 20 0 EHADRM CC(C)(CCC(=O)Nc1scnc1-c1ccccc1)NC(=O)[O-] ZINC000738744995 602799492 /nfs/dbraw/zinc/79/94/92/602799492.db2.gz NEJJUUBHENJMRU-UHFFFAOYSA-N -1 0 333.413 3.575 20 0 EHADRM CC(C)(CCC(=O)N[C@H](c1ccc(F)cc1)C1CCC1)NC(=O)[O-] ZINC000738743419 602802536 /nfs/dbraw/zinc/80/25/36/602802536.db2.gz NJJNONNVXXBZRD-INIZCTEOSA-N -1 0 336.407 3.610 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)CCC(C)(C)NC(=O)[O-] ZINC000738864256 602808956 /nfs/dbraw/zinc/80/89/56/602808956.db2.gz SUILHTUAYIZZNP-UHFFFAOYSA-N -1 0 342.823 3.892 20 0 EHADRM Cc1ccc([C@@H](C)CNC(=O)Cc2ccc(NC(=O)[O-])cc2)cc1 ZINC000740111404 602814931 /nfs/dbraw/zinc/81/49/31/602814931.db2.gz SKRLFNYGGDQVJL-AWEZNQCLSA-N -1 0 326.396 3.547 20 0 EHADRM CCOc1c(F)cccc1C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000827408175 602815322 /nfs/dbraw/zinc/81/53/22/602815322.db2.gz DHPQGNAZDQEDFR-UHFFFAOYSA-N -1 0 344.342 3.517 20 0 EHADRM CC[C@@H](CC(=O)N1CCC(CN(C)C(=O)[O-])CC1)c1ccc(C)cc1 ZINC000739249975 602832101 /nfs/dbraw/zinc/83/21/01/602832101.db2.gz QBCRVRXROJNNFV-KRWDZBQOSA-N -1 0 346.471 3.727 20 0 EHADRM C[C@H](CC(=O)c1ccccc1F)C(=O)Nc1ccccc1NC(=O)[O-] ZINC000824744233 602834983 /nfs/dbraw/zinc/83/49/83/602834983.db2.gz VITKUZVFPWERMK-LLVKDONJSA-N -1 0 344.342 3.763 20 0 EHADRM CCOc1cc(C(=O)Nc2ccccc2CN(C)C(=O)[O-])ccc1C ZINC000739485676 602842047 /nfs/dbraw/zinc/84/20/47/602842047.db2.gz CARIBEUGXSVXIX-UHFFFAOYSA-N -1 0 342.395 3.756 20 0 EHADRM CCOc1cc(C(=O)Nc2cc(OC)ccc2NC(=O)[O-])ccc1C ZINC000739486278 602842292 /nfs/dbraw/zinc/84/22/92/602842292.db2.gz HGZMKLVBXUCQCY-UHFFFAOYSA-N -1 0 344.367 3.745 20 0 EHADRM CCC[C@H](NC(=O)[O-])C(=O)Nc1ccc(Oc2ccc(C)cn2)cc1 ZINC000739320860 602856059 /nfs/dbraw/zinc/85/60/59/602856059.db2.gz ILBOUDRHVGRYHO-HNNXBMFYSA-N -1 0 343.383 3.557 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)N1CCC2(CCCC2)CC1)c1ccccc1 ZINC000740539898 602856353 /nfs/dbraw/zinc/85/63/53/602856353.db2.gz RRJVOKUUJKFIIA-QGZVFWFLSA-N -1 0 344.455 3.958 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)N1CCC2(CCCC2)CC1)c1ccccc1 ZINC000740539897 602856658 /nfs/dbraw/zinc/85/66/58/602856658.db2.gz RRJVOKUUJKFIIA-KRWDZBQOSA-N -1 0 344.455 3.958 20 0 EHADRM Cc1ccc([C@H]2CCCCCN2C(=O)C2CCC(NC(=O)[O-])CC2)o1 ZINC000740117649 602858232 /nfs/dbraw/zinc/85/82/32/602858232.db2.gz JIJWSNFYHFEYQH-UYSNPLJNSA-N -1 0 348.443 3.858 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@H](c3cccc(F)c3)C2)cc1NC(=O)[O-] ZINC000830188770 602863892 /nfs/dbraw/zinc/86/38/92/602863892.db2.gz ZWWDUNTZDRHVRI-HNNXBMFYSA-N -1 0 342.370 3.854 20 0 EHADRM CCCCCC[C@H](C)C(=O)N1CCC([C@H]2CCCN2C(=O)[O-])CC1 ZINC000739328975 602868293 /nfs/dbraw/zinc/86/82/93/602868293.db2.gz GUNRDIBIXJFQCF-DOTOQJQBSA-N -1 0 338.492 3.974 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)N1CCC[C@H]1c1ccco1)c1ccccc1 ZINC000740540404 602880430 /nfs/dbraw/zinc/88/04/30/602880430.db2.gz UIYBYJSNGZIVOT-CVEARBPZSA-N -1 0 342.395 3.732 20 0 EHADRM O=C([O-])Nc1cc(C(=O)NC2(c3nccs3)CCCC2)ccc1F ZINC000740696109 602880588 /nfs/dbraw/zinc/88/05/88/602880588.db2.gz NSZUGZIGAXKEKG-UHFFFAOYSA-N -1 0 349.387 3.571 20 0 EHADRM CC[C@H](OC(=O)Cc1ccc(NC(=O)[O-])cc1)C(=O)c1ccccc1 ZINC000739280257 602889715 /nfs/dbraw/zinc/88/97/15/602889715.db2.gz UXMFEOHQQSLXJY-INIZCTEOSA-N -1 0 341.363 3.524 20 0 EHADRM O=C([O-])NC1(c2noc([C@@H]3C[C@@H]3c3c(F)cccc3F)n2)CCCC1 ZINC000740547808 602950825 /nfs/dbraw/zinc/95/08/25/602950825.db2.gz DIXDZSVUKQAVCT-VHSXEESVSA-N -1 0 349.337 3.656 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@@H]2CCC[C@@H]2NC(=O)[O-])cc1Cl ZINC000738866153 602951844 /nfs/dbraw/zinc/95/18/44/602951844.db2.gz YCBXXMPWQMMOBB-YPMHNXCESA-N -1 0 340.807 3.502 20 0 EHADRM Cc1c(CSC(C)C)cccc1NC(=O)[C@H](NC(=O)[O-])C(C)C ZINC000738202610 602952132 /nfs/dbraw/zinc/95/21/32/602952132.db2.gz STPMZYQQCOYFGN-OAHLLOKOSA-N -1 0 338.473 3.867 20 0 EHADRM CC(C)(NC(=O)CC[C@@H](NC(=O)[O-])c1ccccc1)c1cccs1 ZINC000738752287 602953106 /nfs/dbraw/zinc/95/31/06/602953106.db2.gz GBLALFAJDPYJQQ-CQSZACIVSA-N -1 0 346.452 3.889 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)cc1 ZINC000738666283 602958090 /nfs/dbraw/zinc/95/80/90/602958090.db2.gz DPGPTKYMOGANGL-JSGCOSHPSA-N -1 0 333.290 3.764 20 0 EHADRM CC(C)Sc1ccc([C@@H](C)NC(=O)CC(C)(C)NC(=O)[O-])cc1 ZINC000738869658 602987281 /nfs/dbraw/zinc/98/72/81/602987281.db2.gz MEDIFYZFJHILOI-GFCCVEGCSA-N -1 0 338.473 3.801 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(-c2ccc(C(F)(F)F)cn2)n1 ZINC000738817696 603001972 /nfs/dbraw/zinc/00/19/72/603001972.db2.gz SQDNBYIFTCNWIL-SNVBAGLBSA-N -1 0 344.293 3.505 20 0 EHADRM O=C([O-])NCc1cccc(OC(=O)/C=C/c2ccnc3ccccc23)c1 ZINC000740680802 603008509 /nfs/dbraw/zinc/00/85/09/603008509.db2.gz WBDSOICQGRTACW-CMDGGOBGSA-N -1 0 348.358 3.621 20 0 EHADRM Cc1ccccc1-c1noc(CNc2cc(NC(=O)[O-])ccc2F)n1 ZINC000740179550 603020328 /nfs/dbraw/zinc/02/03/28/603020328.db2.gz XXQACXYKZKQNIF-UHFFFAOYSA-N -1 0 342.330 3.886 20 0 EHADRM COc1ccc2oc(C)c(-c3nc([C@H](C)CN(C)C(=O)[O-])no3)c2c1 ZINC000739939963 603020600 /nfs/dbraw/zinc/02/06/00/603020600.db2.gz DJRKIGOZUCYUIT-SECBINFHSA-N -1 0 345.355 3.513 20 0 EHADRM Cc1ccc2cccc(C(=O)Nc3ccccc3CN(C)C(=O)[O-])c2n1 ZINC000740152668 603020732 /nfs/dbraw/zinc/02/07/32/603020732.db2.gz FADGEYAZUMXFKN-UHFFFAOYSA-N -1 0 349.390 3.905 20 0 EHADRM Cc1c(-c2nc([C@@H](C)CN(C)C(=O)[O-])no2)sc2nccc(C)c12 ZINC000740194640 603020963 /nfs/dbraw/zinc/02/09/63/603020963.db2.gz FRBGBBLXYIDWIO-VIFPVBQESA-N -1 0 346.412 3.676 20 0 EHADRM CN(CCOc1ccccc1Cl)C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000738000622 603026445 /nfs/dbraw/zinc/02/64/45/603026445.db2.gz FJOJJTAACQGMIM-UHFFFAOYSA-N -1 0 348.786 3.581 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)Nc1cccc(NC2CCCC2)c1 ZINC000736417578 603027116 /nfs/dbraw/zinc/02/71/16/603027116.db2.gz WNVOGKBONKZZMR-INIZCTEOSA-N -1 0 333.432 3.662 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)[C@H]2CCSc3ccccc32)cc1 ZINC000827900940 603038670 /nfs/dbraw/zinc/03/86/70/603038670.db2.gz SRAPMXVTTUKTFA-HNNXBMFYSA-N -1 0 343.404 3.986 20 0 EHADRM Cc1ccc(CN(C)C(=O)Nc2cc(NC(=O)[O-])ccc2F)s1 ZINC000740122637 603039570 /nfs/dbraw/zinc/03/95/70/603039570.db2.gz RDNDSWIMYKOLCH-UHFFFAOYSA-N -1 0 337.376 3.949 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-])C1CCCC1 ZINC000738985981 603039743 /nfs/dbraw/zinc/03/97/43/603039743.db2.gz GYNLRXHQMQJUIS-GFCCVEGCSA-N -1 0 331.416 3.817 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)c2cc3cccc(F)c3o2)cc1 ZINC000827914567 603044358 /nfs/dbraw/zinc/04/43/58/603044358.db2.gz ZQMXLBVDFKGKGG-UHFFFAOYSA-N -1 0 329.283 3.905 20 0 EHADRM COc1cccc([C@H]2C[C@@H]2C(=O)Oc2ccc(N(C)C(=O)[O-])cc2)c1 ZINC000829550955 603047027 /nfs/dbraw/zinc/04/70/27/603047027.db2.gz VMKQQSBOSGHTQV-SJORKVTESA-N -1 0 341.363 3.519 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000825024455 603048825 /nfs/dbraw/zinc/04/88/25/603048825.db2.gz SIGZUHOIEZFPSU-GFCCVEGCSA-N -1 0 331.343 3.724 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)CCc2cccc(Cl)c2)cc1 ZINC000827909454 603049589 /nfs/dbraw/zinc/04/95/89/603049589.db2.gz ZPNPAERTHRFWIV-UHFFFAOYSA-N -1 0 333.771 3.992 20 0 EHADRM CN(Cc1cccc(NC(=O)[C@H]2CSc3ccccc32)c1)C(=O)[O-] ZINC000739707003 603053689 /nfs/dbraw/zinc/05/36/89/603053689.db2.gz IZURFCBDCQGIRY-HNNXBMFYSA-N -1 0 342.420 3.624 20 0 EHADRM O=C([O-])N1CCC(C(=O)Nc2cccc(Nc3ccccc3)c2)CC1 ZINC000738509513 603053989 /nfs/dbraw/zinc/05/39/89/603053989.db2.gz HBAOFQSONSWQSU-UHFFFAOYSA-N -1 0 339.395 3.759 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)C1 ZINC000825851516 603061425 /nfs/dbraw/zinc/06/14/25/603061425.db2.gz IUJWJGHGIKTJQQ-VMUDFCTBSA-N -1 0 348.418 3.562 20 0 EHADRM Cc1ccc(C(=O)NC[C@H](C)Sc2ccccc2)cc1NC(=O)[O-] ZINC000830211683 603064854 /nfs/dbraw/zinc/06/48/54/603064854.db2.gz XHQJLHCXSUGAAN-ZDUSSCGKSA-N -1 0 344.436 3.996 20 0 EHADRM O=C([O-])NC1CCC(C(=O)N2CCCC3(C2)CCCCCC3)CC1 ZINC000832244519 603090651 /nfs/dbraw/zinc/09/06/51/603090651.db2.gz BXTHLTWSZLBIJG-UHFFFAOYSA-N -1 0 336.476 3.776 20 0 EHADRM Cc1ccc(NC(=O)CNc2ccc([C@H](C)NC(=O)[O-])cc2)c(F)c1 ZINC000740137073 603104535 /nfs/dbraw/zinc/10/45/35/603104535.db2.gz VXMSDHVUARDEAT-LBPRGKRZSA-N -1 0 345.374 3.513 20 0 EHADRM CN(CCCC(=O)Nc1cccc(Nc2ccccc2)c1)C(=O)[O-] ZINC000737431733 603114024 /nfs/dbraw/zinc/11/40/24/603114024.db2.gz YMRLOMDWVKAFHW-UHFFFAOYSA-N -1 0 327.384 3.759 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)NC2CCC(NC(=O)[O-])CC2)cc1 ZINC000738724430 603135298 /nfs/dbraw/zinc/13/52/98/603135298.db2.gz HTXNFSJLUQIBAW-UHFFFAOYSA-N -1 0 333.432 3.684 20 0 EHADRM CC[C@H]1CCCCCN1C(=O)Nc1ccc(OC)c(NC(=O)[O-])c1 ZINC000739266838 603136851 /nfs/dbraw/zinc/13/68/51/603136851.db2.gz INUZNMPZPHMFDC-ZDUSSCGKSA-N -1 0 335.404 3.972 20 0 EHADRM CC[C@@H]1CCCCCN1C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739273707 603138649 /nfs/dbraw/zinc/13/86/49/603138649.db2.gz VFXKHFXSVRDYMT-OAHLLOKOSA-N -1 0 331.416 3.914 20 0 EHADRM CCN(Cc1cccc(NC(=O)N(C)CC2CCCC2)c1)C(=O)[O-] ZINC000739441193 603142850 /nfs/dbraw/zinc/14/28/50/603142850.db2.gz FIIMJVCANWZBLT-UHFFFAOYSA-N -1 0 333.432 3.840 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000740567418 603149363 /nfs/dbraw/zinc/14/93/63/603149363.db2.gz CUBAICZLNPWIAC-KOLCDFICSA-N -1 0 344.383 3.766 20 0 EHADRM Cc1ccc(NC(=O)[C@H](C)Oc2ccc(NC(=O)[O-])cc2)c(C)c1 ZINC000830358352 603157180 /nfs/dbraw/zinc/15/71/80/603157180.db2.gz MCKTUHWCUDBHMJ-ZDUSSCGKSA-N -1 0 328.368 3.799 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2ccc3ncsc3c2)cc1 ZINC000825442831 603171409 /nfs/dbraw/zinc/17/14/09/603171409.db2.gz RAVIQRIUHPFIJU-JTQLQIEISA-N -1 0 341.392 3.877 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 ZINC000825421974 603171663 /nfs/dbraw/zinc/17/16/63/603171663.db2.gz DMHMYTWMAOJZBL-LLVKDONJSA-N -1 0 348.786 3.686 20 0 EHADRM CCN(C(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1)[C@H](C)c1ccc(F)cc1 ZINC000739378399 603174351 /nfs/dbraw/zinc/17/43/51/603174351.db2.gz UDUYLWLBHXBCSK-XNRPHZJLSA-N -1 0 336.407 3.562 20 0 EHADRM COc1cc(C)sc1C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000829101822 603178211 /nfs/dbraw/zinc/17/82/11/603178211.db2.gz MDPPVMXWHBODMD-JTQLQIEISA-N -1 0 334.397 3.646 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000740015545 603183022 /nfs/dbraw/zinc/18/30/22/603183022.db2.gz DFJLLQYTYGQDSA-GXSJLCMTSA-N -1 0 342.848 3.827 20 0 EHADRM CCO[C@H](C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1)c1ccccc1 ZINC000827362022 603183376 /nfs/dbraw/zinc/18/33/76/603183376.db2.gz LZTNKHROVUWZHN-DYVFJYSZSA-N -1 0 342.395 3.732 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)COc2ccccc2Cl)cc1 ZINC000825421961 603188310 /nfs/dbraw/zinc/18/83/10/603188310.db2.gz DHSPTBPFYPHMOU-NSHDSACASA-N -1 0 348.786 3.686 20 0 EHADRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)Nc1ccccc1C(C)(C)C ZINC000738806273 603195814 /nfs/dbraw/zinc/19/58/14/603195814.db2.gz OERUDWWSJUBARV-ZDUSSCGKSA-N -1 0 335.448 3.788 20 0 EHADRM Cc1ccc(OCCNC(=O)c2ccc(NC(=O)[O-])cc2Cl)cc1 ZINC000740143982 603204176 /nfs/dbraw/zinc/20/41/76/603204176.db2.gz IKZYCKHRIJSYEU-UHFFFAOYSA-N -1 0 348.786 3.547 20 0 EHADRM Cc1ccccc1CCNC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000740183654 603205291 /nfs/dbraw/zinc/20/52/91/603205291.db2.gz MMKDFODHUQDYHV-UHFFFAOYSA-N -1 0 332.787 3.711 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)Nc2ccc(SC(F)F)cc2)o1 ZINC000832705543 603209374 /nfs/dbraw/zinc/20/93/74/603209374.db2.gz MDHPMBCNEZZDJL-UHFFFAOYSA-N -1 0 342.323 3.614 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)Nc1ccccc1C ZINC000829187490 603211721 /nfs/dbraw/zinc/21/17/21/603211721.db2.gz ITOGGJIRSBKPBM-UHFFFAOYSA-N -1 0 334.759 3.999 20 0 EHADRM COc1ccc(C)cc1NC(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000829321046 603218737 /nfs/dbraw/zinc/21/87/37/603218737.db2.gz FWWYLPDACJFLSC-GUYCJALGSA-N -1 0 342.395 3.587 20 0 EHADRM CC[C@@](C)(NC(=O)c1cccc(NC(=O)[O-])c1)c1nc(C)cs1 ZINC000736861755 603221347 /nfs/dbraw/zinc/22/13/47/603221347.db2.gz VAZBFYZJBXRFMK-MRXNPFEDSA-N -1 0 333.413 3.597 20 0 EHADRM CCOc1cccc(CNC(=O)c2ccc(NC(=O)[O-])cc2Cl)c1 ZINC000739509722 603222368 /nfs/dbraw/zinc/22/23/68/603222368.db2.gz XPJHFFRJCJYAPF-UHFFFAOYSA-N -1 0 348.786 3.759 20 0 EHADRM Cc1cccc(Oc2ccccc2NC(=O)C[C@@H](C)NC(=O)[O-])c1 ZINC000830528366 603227848 /nfs/dbraw/zinc/22/78/48/603227848.db2.gz VPAXGCOCFAUXMM-CYBMUJFWSA-N -1 0 328.368 3.772 20 0 EHADRM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CCC(C)(C)NC(=O)[O-])o1 ZINC000830282591 603230931 /nfs/dbraw/zinc/23/09/31/603230931.db2.gz RVAGFBWPFWEZKP-GXTWGEPZSA-N -1 0 336.432 3.714 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)c(Cl)c1 ZINC000740699116 603233688 /nfs/dbraw/zinc/23/36/88/603233688.db2.gz QNLSBQPICMZAPV-DZGCQCFKSA-N -1 0 348.761 3.855 20 0 EHADRM CN(C[C@@H]1CCCN1C(=O)Nc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000828207053 603245023 /nfs/dbraw/zinc/24/50/23/603245023.db2.gz VBQUSROLVOGRCL-JTQLQIEISA-N -1 0 346.214 3.600 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)o1 ZINC000832685131 603259010 /nfs/dbraw/zinc/25/90/10/603259010.db2.gz ZHDVQPHWICVKIQ-HNNXBMFYSA-N -1 0 348.786 3.582 20 0 EHADRM COc1ccc(NC(=O)N2CCCC(C)(C)CC2)cc1NC(=O)[O-] ZINC000829461246 603271002 /nfs/dbraw/zinc/27/10/02/603271002.db2.gz WVGLNKNITWDAKF-UHFFFAOYSA-N -1 0 335.404 3.829 20 0 EHADRM Cc1ccc(C(=O)Nc2ccccc2OC(F)F)cc1NC(=O)[O-] ZINC000830234538 603278261 /nfs/dbraw/zinc/27/82/61/603278261.db2.gz SPEYZLSQYBKULG-UHFFFAOYSA-N -1 0 336.294 3.939 20 0 EHADRM COc1cc(NC(=O)N(C)CCc2cccs2)ccc1NC(=O)[O-] ZINC000829159367 603282021 /nfs/dbraw/zinc/28/20/21/603282021.db2.gz QWFYMORIKYKUTO-UHFFFAOYSA-N -1 0 349.412 3.553 20 0 EHADRM Cc1ccccc1NC(=O)Nc1cccc2c1CCN(C(=O)[O-])C2 ZINC000740185693 603292505 /nfs/dbraw/zinc/29/25/05/603292505.db2.gz KETVLORJDGYUQC-UHFFFAOYSA-N -1 0 325.368 3.675 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)Nc2cccc(F)c2F)cc1 ZINC000825443152 603296337 /nfs/dbraw/zinc/29/63/37/603296337.db2.gz YZBPURVSCOFQGQ-SECBINFHSA-N -1 0 335.310 3.937 20 0 EHADRM Cc1ccc(C(=O)NCc2c(F)cccc2Cl)cc1NC(=O)[O-] ZINC000830219477 603299816 /nfs/dbraw/zinc/29/98/16/603299816.db2.gz FFVCPRYMPGLUEQ-UHFFFAOYSA-N -1 0 336.750 3.807 20 0 EHADRM O=C([O-])NC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(C(F)F)c1 ZINC000832514833 603302987 /nfs/dbraw/zinc/30/29/87/603302987.db2.gz OOMROTDQYPZWBK-AAEUAGOBSA-N -1 0 341.358 3.572 20 0 EHADRM CC[C@@H]1CCCN(C(=O)c2cc(Cl)c(NC(=O)[O-])cc2OC)C1 ZINC000826676530 603321028 /nfs/dbraw/zinc/32/10/28/603321028.db2.gz ZEINLBONUMDLLK-SNVBAGLBSA-N -1 0 340.807 3.701 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)N2CCC[C@H]2c2cccs2)c1 ZINC000740676470 603321021 /nfs/dbraw/zinc/32/10/21/603321021.db2.gz OWZQEQBGRJWGGL-AWEZNQCLSA-N -1 0 345.424 3.885 20 0 EHADRM CCc1ccc([C@@H](C)NC(=O)Nc2cccc(CNC(=O)[O-])c2)cc1 ZINC000739544359 603321457 /nfs/dbraw/zinc/32/14/57/603321457.db2.gz STMHLLXZPOCEIN-CYBMUJFWSA-N -1 0 341.411 3.899 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc(CNC(=O)[O-])c1)c1c(F)cccc1F ZINC000738987478 603322907 /nfs/dbraw/zinc/32/29/07/603322907.db2.gz KYCMCEGEVSFIPV-SNVBAGLBSA-N -1 0 349.337 3.615 20 0 EHADRM CCN(Cc1ccc(C)cc1)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739438700 603326487 /nfs/dbraw/zinc/32/64/87/603326487.db2.gz DQLUJJFDHXXGFG-UHFFFAOYSA-N -1 0 341.411 3.817 20 0 EHADRM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000825773162 603326969 /nfs/dbraw/zinc/32/69/69/603326969.db2.gz YEDKWQKKVGHYDZ-QAPCUYQASA-N -1 0 343.358 3.767 20 0 EHADRM C[C@@H](Cc1cccs1)NC(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000738951642 603333520 /nfs/dbraw/zinc/33/35/20/603333520.db2.gz TZSHDFKMIJNVDQ-LBPRGKRZSA-N -1 0 347.440 3.611 20 0 EHADRM CN(Cc1csc2ccccc12)C(=O)c1ccc(CNC(=O)[O-])o1 ZINC000828416742 603335629 /nfs/dbraw/zinc/33/56/29/603335629.db2.gz PATSZJQKLVNTAO-UHFFFAOYSA-N -1 0 344.392 3.534 20 0 EHADRM C[C@H](C(=O)Nc1ccc2ncccc2c1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823716229 603340854 /nfs/dbraw/zinc/34/08/54/603340854.db2.gz ZEBGHTJBCNZBKN-SCLBCKFNSA-N -1 0 349.390 3.818 20 0 EHADRM C[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000739097390 603342163 /nfs/dbraw/zinc/34/21/63/603342163.db2.gz GOWCYIHYTZJJIN-CZUORRHYSA-N -1 0 333.432 3.839 20 0 EHADRM CCCN(CC1CC1)C(=O)Nc1cccc(CN(CC)C(=O)[O-])c1 ZINC000739358186 603345476 /nfs/dbraw/zinc/34/54/76/603345476.db2.gz LMRVHIXDXDBCHU-UHFFFAOYSA-N -1 0 333.432 3.840 20 0 EHADRM CC(C)CCN(C(=O)Nc1cccc(CN(C)C(=O)[O-])c1)C1CC1 ZINC000738817817 603356035 /nfs/dbraw/zinc/35/60/35/603356035.db2.gz FWIKRXHSVYDAQS-UHFFFAOYSA-N -1 0 333.432 3.839 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N[C@H](C)C1CCCC1)C(=O)[O-] ZINC000739449164 603356406 /nfs/dbraw/zinc/35/64/06/603356406.db2.gz UWOXXCVNHRHGSY-CYBMUJFWSA-N -1 0 333.432 3.887 20 0 EHADRM CCc1cnc(NC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)s1 ZINC000827616467 603358732 /nfs/dbraw/zinc/35/87/32/603358732.db2.gz OKBFFAJEKQTTDC-SECBINFHSA-N -1 0 334.401 3.678 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)NC(=O)[O-] ZINC000824583394 603361472 /nfs/dbraw/zinc/36/14/72/603361472.db2.gz UDEUDTFYDIWCHT-NOZJJQNGSA-N -1 0 345.226 3.703 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)NCc2ccc(Cl)cc2)cc1 ZINC000825434308 603364210 /nfs/dbraw/zinc/36/42/10/603364210.db2.gz PYEUEOPSVZFIMY-NSHDSACASA-N -1 0 347.802 3.990 20 0 EHADRM C[C@H](Cc1cccs1)NC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000825031204 603365421 /nfs/dbraw/zinc/36/54/21/603365421.db2.gz SQXNEEVTYAPPEC-VXGBXAGGSA-N -1 0 347.440 3.829 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N(C)Cc2ccccc2)cc1 ZINC000825421937 603367711 /nfs/dbraw/zinc/36/77/11/603367711.db2.gz DAWKKLNKPVYVBF-ZDUSSCGKSA-N -1 0 327.384 3.679 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)NCc2ccc(F)cc2F)cc1 ZINC000825434533 603374293 /nfs/dbraw/zinc/37/42/93/603374293.db2.gz UUQKFNACCJOUOO-JTQLQIEISA-N -1 0 349.337 3.615 20 0 EHADRM Cc1ccc(CNC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)c(C)c1 ZINC000830316764 603379504 /nfs/dbraw/zinc/37/95/04/603379504.db2.gz FGBDETROKPHMIA-AWEZNQCLSA-N -1 0 341.411 3.954 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)C[C@@H]2OCCc3ccccc32)c1 ZINC000740707430 603380722 /nfs/dbraw/zinc/38/07/22/603380722.db2.gz PYKVDLNRWUINDV-INIZCTEOSA-N -1 0 344.342 3.558 20 0 EHADRM CN(Cc1cccc(NC(=O)C2(c3cccc(F)c3)CC2)c1)C(=O)[O-] ZINC000739706555 603380891 /nfs/dbraw/zinc/38/08/91/603380891.db2.gz AWYCPNMDLKYTBC-UHFFFAOYSA-N -1 0 342.370 3.606 20 0 EHADRM Cc1ccc(CN(C(=O)CC2CCN(C(=O)[O-])CC2)C2CC2)cc1C ZINC000740121976 603385597 /nfs/dbraw/zinc/38/55/97/603385597.db2.gz NJCMLHLJMQGDNQ-UHFFFAOYSA-N -1 0 344.455 3.575 20 0 EHADRM C[C@@H](c1nc(-c2ccsc2)no1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000825645395 603409001 /nfs/dbraw/zinc/40/90/01/603409001.db2.gz OASJGHCTOCBHQL-ZWNOBZJWSA-N -1 0 329.381 3.911 20 0 EHADRM O=C([O-])NC1(c2noc(-c3cccc(-c4cscn4)c3)n2)CCC1 ZINC000832222634 603419303 /nfs/dbraw/zinc/41/93/03/603419303.db2.gz DXKUQUINWYGPNX-UHFFFAOYSA-N -1 0 342.380 3.507 20 0 EHADRM Cc1ccc(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)cc1NC(=O)[O-] ZINC000830204120 603421069 /nfs/dbraw/zinc/42/10/69/603421069.db2.gz CUQZDONLEPHQEW-ZBFHGGJFSA-N -1 0 328.343 3.510 20 0 EHADRM Cc1ccc(F)cc1C(=O)N1CCCN(C(=O)[O-])c2ccccc21 ZINC000740129249 603430077 /nfs/dbraw/zinc/43/00/77/603430077.db2.gz IAGRCLLRYHZODT-UHFFFAOYSA-N -1 0 328.343 3.669 20 0 EHADRM CC(C)[C@H](CC1CCCCC1)C(=O)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738773701 603431233 /nfs/dbraw/zinc/43/12/33/603431233.db2.gz JRBMDXNRNIQWJO-IRXDYDNUSA-N -1 0 338.492 3.687 20 0 EHADRM Cc1ccc(F)c(C(=O)N2CCCN(C(=O)[O-])c3ccccc32)c1 ZINC000740127142 603431864 /nfs/dbraw/zinc/43/18/64/603431864.db2.gz KYMPXVUKFFPZQA-UHFFFAOYSA-N -1 0 328.343 3.669 20 0 EHADRM Cc1c(CSC(C)C)cccc1NC(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000740052302 603433885 /nfs/dbraw/zinc/43/38/85/603433885.db2.gz KUXXIEFXZRNHDO-CYBMUJFWSA-N -1 0 336.457 3.575 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(C)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736903121 603434504 /nfs/dbraw/zinc/43/45/04/603434504.db2.gz HFPREBLNZIWNLK-KRWDZBQOSA-N -1 0 326.396 3.870 20 0 EHADRM Cc1cccc(NC(=O)N2CCC(N(CC3CC3)C(=O)[O-])CC2)c1C ZINC000830517615 603452128 /nfs/dbraw/zinc/45/21/28/603452128.db2.gz ZYYZWQMPCRMQEZ-UHFFFAOYSA-N -1 0 345.443 3.690 20 0 EHADRM COc1cc(NC(=O)c2cccc3[nH]ccc32)ccc1NC(=O)[O-] ZINC000829198359 603478753 /nfs/dbraw/zinc/47/87/53/603478753.db2.gz UKUMQKULHYERCS-UHFFFAOYSA-N -1 0 325.324 3.519 20 0 EHADRM Cc1ccc(Cl)c(OCC(=O)Oc2cccc(NC(=O)[O-])c2)c1 ZINC000830329381 603479064 /nfs/dbraw/zinc/47/90/64/603479064.db2.gz SVYVCSFRWTUPKM-UHFFFAOYSA-N -1 0 335.743 3.723 20 0 EHADRM CC(C)c1ccc([C@H](NC(=O)CC2CN(C(=O)[O-])C2)C(C)C)cc1 ZINC000824463233 603557740 /nfs/dbraw/zinc/55/77/40/603557740.db2.gz FDPBBQJDESOTQB-GOSISDBHSA-N -1 0 332.444 3.623 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CC1CN(C(=O)[O-])C1 ZINC000825629603 603560052 /nfs/dbraw/zinc/56/00/52/603560052.db2.gz FTCZXSKIIWSGIN-VIFPVBQESA-N -1 0 345.226 3.513 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1)c1csc2ccccc21 ZINC000825082863 603575397 /nfs/dbraw/zinc/57/53/97/603575397.db2.gz OHLXTRCBLZMENW-SRVKXCTJSA-N -1 0 332.425 3.515 20 0 EHADRM COc1cc(NC(=O)N2CC[C@@H](CC(C)C)C2)ccc1NC(=O)[O-] ZINC000829159089 603586093 /nfs/dbraw/zinc/58/60/93/603586093.db2.gz NJCPAEYSSOHKPN-LBPRGKRZSA-N -1 0 335.404 3.685 20 0 EHADRM CC(C)C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])C1 ZINC000824233235 603591359 /nfs/dbraw/zinc/59/13/59/603591359.db2.gz XLYOSSQEGMKIOC-ZDUSSCGKSA-N -1 0 331.416 3.627 20 0 EHADRM CN(Cc1cccc(NC(=O)c2cccc3cnccc32)c1)C(=O)[O-] ZINC000828375500 603609986 /nfs/dbraw/zinc/60/99/86/603609986.db2.gz JZYHYWNXFSQPEJ-UHFFFAOYSA-N -1 0 335.363 3.597 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1)c1cccc(Cl)c1Cl ZINC000825081167 603632943 /nfs/dbraw/zinc/63/29/43/603632943.db2.gz AFMUWCQZGKSJBN-GUBZILKMSA-N -1 0 345.226 3.607 20 0 EHADRM O=C([O-])NC1(Cc2nc(-c3c(Cl)cccc3Cl)no2)CCC1 ZINC000832223403 603634547 /nfs/dbraw/zinc/63/45/47/603634547.db2.gz LMUQNHVOCGKGHW-UHFFFAOYSA-N -1 0 342.182 3.776 20 0 EHADRM Cc1ccc(-c2nc(-c3cccc(NC(=O)[O-])c3)no2)c(Cl)n1 ZINC000830155295 603640413 /nfs/dbraw/zinc/64/04/13/603640413.db2.gz NFEQARKBQGQPML-UHFFFAOYSA-N -1 0 330.731 3.850 20 0 EHADRM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)CC1CN(C(=O)[O-])C1 ZINC000825623909 603650529 /nfs/dbraw/zinc/65/05/29/603650529.db2.gz RMYYEBQVGOVIHJ-SECBINFHSA-N -1 0 345.226 3.513 20 0 EHADRM Cc1cc(C)cc([C@H](C)NC(=O)N(C)C2CCC(NC(=O)[O-])CC2)c1 ZINC000829998700 603652121 /nfs/dbraw/zinc/65/21/21/603652121.db2.gz XATLLVFNRDKASE-OOHWJJMZSA-N -1 0 347.459 3.585 20 0 EHADRM C[C@@H](CN(C)C(=O)[O-])c1noc(-c2ccc3ccc(Cl)cc3n2)n1 ZINC000824901556 603729216 /nfs/dbraw/zinc/72/92/16/603729216.db2.gz GTMACFQKRGGEOV-VIFPVBQESA-N -1 0 346.774 3.652 20 0 EHADRM CCN(CC1CCN(C(=O)CCCc2ccc(C)cc2)CC1)C(=O)[O-] ZINC000827059395 603745012 /nfs/dbraw/zinc/74/50/12/603745012.db2.gz MWAIXWRIVWQCSU-UHFFFAOYSA-N -1 0 346.471 3.556 20 0 EHADRM CC(C)(C)OCc1ccc(NC(=O)c2ccc(CNC(=O)[O-])o2)cc1 ZINC000823833188 603771796 /nfs/dbraw/zinc/77/17/96/603771796.db2.gz KSXXWAHIDBNFJN-UHFFFAOYSA-N -1 0 346.383 3.615 20 0 EHADRM C[C@@H](OC(=O)C(C)(C)C(C)(C)NC(=O)[O-])c1ncc(C(C)(C)C)o1 ZINC000825534445 603773775 /nfs/dbraw/zinc/77/37/75/603773775.db2.gz BNEHYWNMRFEKPG-SNVBAGLBSA-N -1 0 340.420 3.649 20 0 EHADRM CC1(CNC(=O)Nc2ccc(NC(=O)[O-])cc2C(F)(F)F)CC1 ZINC000825749438 603805548 /nfs/dbraw/zinc/80/55/48/603805548.db2.gz LXAJWERIUCCBQM-UHFFFAOYSA-N -1 0 331.294 3.717 20 0 EHADRM O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)N1CCC[C@@H]1c1ccccc1)C2 ZINC000831297848 603827689 /nfs/dbraw/zinc/82/76/89/603827689.db2.gz BMWIBYVAJNHMLI-NXCDMZCRSA-N -1 0 342.439 3.661 20 0 EHADRM CC(C)(C)OCc1ccc(NC(=O)C2CCC(NC(=O)[O-])CC2)cc1 ZINC000823833138 603830694 /nfs/dbraw/zinc/83/06/94/603830694.db2.gz JBJQCYMPMZEZMP-UHFFFAOYSA-N -1 0 348.443 3.767 20 0 EHADRM Cc1cc(C)cc(NC(=S)N(C)CC[C@@H](NC(=O)[O-])C(C)C)c1 ZINC000830003831 603831674 /nfs/dbraw/zinc/83/16/74/603831674.db2.gz LYYJHCGZNBVFBZ-OAHLLOKOSA-N -1 0 337.489 3.614 20 0 EHADRM CC(C)(CCC(=O)Nc1ccc(CCC(F)(F)F)cc1)NC(=O)[O-] ZINC000823890590 603885718 /nfs/dbraw/zinc/88/57/18/603885718.db2.gz VGCWFWIKKNWYSN-UHFFFAOYSA-N -1 0 346.349 3.946 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2cc(-c3ccccc3)on2)ccc1F ZINC000832821092 603923241 /nfs/dbraw/zinc/92/32/41/603923241.db2.gz RYGFKFXNMJEUQD-UHFFFAOYSA-N -1 0 341.298 3.823 20 0 EHADRM CSc1ccc(C(=O)Nc2cccc3c2CCN3C(=O)[O-])cc1 ZINC000829759497 603943517 /nfs/dbraw/zinc/94/35/17/603943517.db2.gz AEVWLTPBRHEDHO-UHFFFAOYSA-N -1 0 328.393 3.701 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)c1nccc2ccccc21 ZINC000831797568 603951954 /nfs/dbraw/zinc/95/19/54/603951954.db2.gz LKBQFPHGUFCLBK-UHFFFAOYSA-N -1 0 333.347 3.528 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000831793975 603957860 /nfs/dbraw/zinc/95/78/60/603957860.db2.gz SZLHDIVLKNEIBG-CABCVRRESA-N -1 0 340.354 3.608 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)c1cc2c(cccc2F)[nH]1 ZINC000831792849 603958119 /nfs/dbraw/zinc/95/81/19/603958119.db2.gz CJEVONNXPBCKKB-UHFFFAOYSA-N -1 0 339.326 3.600 20 0 EHADRM CCN(Cc1cccs1)C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000827193353 603979107 /nfs/dbraw/zinc/97/91/07/603979107.db2.gz KJUVVXGAVCTVDF-UHFFFAOYSA-N -1 0 345.424 3.843 20 0 EHADRM CCC[C@H]1CCCN(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])C1 ZINC000826774974 603985751 /nfs/dbraw/zinc/98/57/51/603985751.db2.gz MOSZFEGBQVDPOY-ZDUSSCGKSA-N -1 0 331.416 3.771 20 0 EHADRM COc1ccc(NC(=O)N2Cc3ccccc3[C@@H]2C)cc1NC(=O)[O-] ZINC000829465792 604009880 /nfs/dbraw/zinc/00/98/80/604009880.db2.gz STOVFTRDNOGXMZ-NSHDSACASA-N -1 0 341.367 3.894 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(NC(=O)[O-])cc2)[C@H](c2ccco2)C1 ZINC000825944250 604024918 /nfs/dbraw/zinc/02/49/18/604024918.db2.gz MKWPTTUAWFIBTI-DOMZBBRYSA-N -1 0 328.368 3.983 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(CNC(=O)[O-])cc2)[C@H](c2ccco2)C1 ZINC000825945188 604025221 /nfs/dbraw/zinc/02/52/21/604025221.db2.gz URHUTTHHHBCTOM-CJNGLKHVSA-N -1 0 342.395 3.661 20 0 EHADRM O=C([O-])NC1(c2noc(Cc3coc4cc(F)ccc34)n2)CCCC1 ZINC000832227455 604039148 /nfs/dbraw/zinc/03/91/48/604039148.db2.gz GRQMFXYGNTZPNM-UHFFFAOYSA-N -1 0 345.330 3.583 20 0 EHADRM CCc1ccc(C(C)(C)C(=O)N(C)C2CCC(NC(=O)[O-])CC2)cc1 ZINC000827577906 604056816 /nfs/dbraw/zinc/05/68/16/604056816.db2.gz SNVPSOSRTAFYJI-UHFFFAOYSA-N -1 0 346.471 3.564 20 0 EHADRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)Nc2cccc3ccccc32)C1 ZINC000825235084 604060794 /nfs/dbraw/zinc/06/07/94/604060794.db2.gz BYBRHNUBVWYCDJ-HIFRSBDPSA-N -1 0 341.411 3.740 20 0 EHADRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)Nc2ccccc2C(C)(C)C)C1 ZINC000825238273 604065365 /nfs/dbraw/zinc/06/53/65/604065365.db2.gz XWJQRCAUQAFBHF-UONOGXRCSA-N -1 0 347.459 3.884 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N1CC[C@](C)(CC)C1)C(=O)[O-] ZINC000827182233 604088960 /nfs/dbraw/zinc/08/89/60/604088960.db2.gz HMMQYOUKYKQIKA-SFHVURJKSA-N -1 0 333.432 3.840 20 0 EHADRM CCN(Cc1cccc(NC(=O)c2cc(OC)cs2)c1)C(=O)[O-] ZINC000827169951 604093560 /nfs/dbraw/zinc/09/35/60/604093560.db2.gz GEUQWJIKCRMTPP-UHFFFAOYSA-N -1 0 334.397 3.509 20 0 EHADRM COc1ccc(NCc2csc([C@H](C)OC)n2)cc1NC(=O)[O-] ZINC000829480250 604201843 /nfs/dbraw/zinc/20/18/43/604201843.db2.gz UAEQWUMVGBZNEM-VIFPVBQESA-N -1 0 337.401 3.561 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)N(CC(F)F)c2ccccc2)cc1 ZINC000832841072 604202584 /nfs/dbraw/zinc/20/25/84/604202584.db2.gz QHRMCZPEQPLFQI-UHFFFAOYSA-N -1 0 334.322 3.617 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CC(=O)N1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000825897386 604245347 /nfs/dbraw/zinc/24/53/47/604245347.db2.gz WNTATGMITZRCEJ-GDBMZVCRSA-N -1 0 336.476 3.584 20 0 EHADRM C[C@@H](OC(=O)C[C@H](Cc1ccccc1)NC(=O)[O-])c1cccs1 ZINC000825570421 604246702 /nfs/dbraw/zinc/24/67/02/604246702.db2.gz JVZZLIQEIUKEFI-OCCSQVGLSA-N -1 0 333.409 3.621 20 0 EHADRM C/C=C(/C=C\C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1)CC ZINC000828542168 604263494 /nfs/dbraw/zinc/26/34/94/604263494.db2.gz JCBJXGZVEZDHQQ-JKVODNICSA-N -1 0 337.366 3.681 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000161201688 604280015 /nfs/dbraw/zinc/28/00/15/604280015.db2.gz GAXPYDWJQRQXAD-SSDOTTSWSA-N -1 0 326.805 3.536 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2ccnn2C2CCCC2)c1 ZINC000761728595 604282278 /nfs/dbraw/zinc/28/22/78/604282278.db2.gz GETISLGDJRDQQN-UHFFFAOYSA-N -1 0 333.775 3.602 20 0 EHADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc(-c3ccco3)s2)C1 ZINC000825242921 604293922 /nfs/dbraw/zinc/29/39/22/604293922.db2.gz BDOMFBSMJTXKBB-VXGBXAGGSA-N -1 0 348.424 3.516 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CCCOc1ccc(C)cc1Cl ZINC000828623356 604301936 /nfs/dbraw/zinc/30/19/36/604301936.db2.gz NSMLRFHMFUOQHS-KRWDZBQOSA-N -1 0 341.835 3.567 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)Nc1cc(F)ccc1F)c1ccccc1 ZINC000826102958 604307206 /nfs/dbraw/zinc/30/72/06/604307206.db2.gz LFFFIZNJGBBZKI-OAHLLOKOSA-N -1 0 348.349 3.938 20 0 EHADRM CCCCN(C)c1ccc(NC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)cc1 ZINC000737822203 604310527 /nfs/dbraw/zinc/31/05/27/604310527.db2.gz PJCFPVIOGBUENJ-UHFFFAOYSA-N -1 0 343.427 3.818 20 0 EHADRM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000827212547 604311328 /nfs/dbraw/zinc/31/13/28/604311328.db2.gz FFYMAFKVIZBHAX-CYBMUJFWSA-N -1 0 341.382 3.965 20 0 EHADRM CCOc1cc(Cl)ccc1NC(=O)C1CCC(NC(=O)[O-])CC1 ZINC000827417648 604315254 /nfs/dbraw/zinc/31/52/54/604315254.db2.gz CQUJERPBYJOSEM-UHFFFAOYSA-N -1 0 340.807 3.504 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@H](C)c1ccc(F)cc1Cl ZINC000738164220 604317849 /nfs/dbraw/zinc/31/78/49/604317849.db2.gz UXMBFMGOEZCMFF-MRVPVSSYSA-N -1 0 338.766 3.613 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000832846977 604327413 /nfs/dbraw/zinc/32/74/13/604327413.db2.gz BLYSQGGWXZJEMO-UHFFFAOYSA-N -1 0 340.301 3.687 20 0 EHADRM CC(C)(C)OC1CCN(C(=O)Nc2ccc(NC(=O)[O-])cc2)CC1 ZINC000823832952 604327512 /nfs/dbraw/zinc/32/75/12/604327512.db2.gz CLMSWLUUFKTZFJ-UHFFFAOYSA-N -1 0 335.404 3.588 20 0 EHADRM Cc1cccc(C)c1CCNC(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000832965188 604327564 /nfs/dbraw/zinc/32/75/64/604327564.db2.gz YNZVPNMFBWVBKD-UHFFFAOYSA-N -1 0 341.411 3.782 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H](C2CCCCC2)C(F)(F)F)cc1F ZINC000833125587 604335186 /nfs/dbraw/zinc/33/51/86/604335186.db2.gz FHKHUQQXZQZGOI-CYBMUJFWSA-N -1 0 347.308 3.765 20 0 EHADRM C[C@@H](C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])c1cccs1 ZINC000825995775 604377191 /nfs/dbraw/zinc/37/71/91/604377191.db2.gz SDTHONKCFKHAFY-IUODEOHRSA-N -1 0 331.437 3.820 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)/C=C\c1cccc(F)c1)c1ccccc1 ZINC000826089020 604383898 /nfs/dbraw/zinc/38/38/98/604383898.db2.gz GTAIDWQXDYEIEA-JYBLJSLWSA-N -1 0 341.382 3.807 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1cc2ccccn2c1)c1ccccc1 ZINC000826102996 604385510 /nfs/dbraw/zinc/38/55/10/604385510.db2.gz LRLIISSMVKAUSN-QGZVFWFLSA-N -1 0 336.391 3.521 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)c1ccc(F)cc1C(F)(F)F ZINC000833158941 604390416 /nfs/dbraw/zinc/39/04/16/604390416.db2.gz QIFVRFLPPVWIAN-UHFFFAOYSA-N -1 0 345.223 3.934 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])c(F)c2)c2ccccc2S1 ZINC000828393465 604391319 /nfs/dbraw/zinc/39/13/19/604391319.db2.gz IYXXBPYFTYMYAI-SNVBAGLBSA-N -1 0 331.368 3.665 20 0 EHADRM Cc1cc(OC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)ccc1Br ZINC000832900112 604416339 /nfs/dbraw/zinc/41/63/39/604416339.db2.gz YPKSCHJOQCDHCX-MNOVXSKESA-N -1 0 341.201 3.554 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccc(COC)cc1 ZINC000829028012 604428124 /nfs/dbraw/zinc/42/81/24/604428124.db2.gz QVOMAWYCMYPUBK-SFHVURJKSA-N -1 0 341.407 3.511 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)CCc1cccs1 ZINC000829027454 604428152 /nfs/dbraw/zinc/42/81/52/604428152.db2.gz NEIQVKWRKBMDJG-MRXNPFEDSA-N -1 0 331.437 3.745 20 0 EHADRM O=C([O-])c1csc(NC(=O)NC2(Cc3ccccc3)CCC2)c1 ZINC000833149960 604495669 /nfs/dbraw/zinc/49/56/69/604495669.db2.gz CKYSAGNKDFDSTA-UHFFFAOYSA-N -1 0 330.409 3.733 20 0 EHADRM O=C([O-])c1csc(NC(=O)N2CCC(c3cccc(F)c3)CC2)c1 ZINC000833342009 604496502 /nfs/dbraw/zinc/49/65/02/604496502.db2.gz CIPBBXOMIKGLQP-UHFFFAOYSA-N -1 0 348.399 3.997 20 0 EHADRM C[C@H](NC(=O)Nc1cc(C(=O)[O-])cs1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000827664933 604499417 /nfs/dbraw/zinc/49/94/17/604499417.db2.gz MGPVPBRRVSITCC-HFBDOXOYSA-N -1 0 346.408 3.521 20 0 EHADRM O=C([O-])c1csc(NC(=O)N2CCC(c3ccccc3)CC2)c1 ZINC000833342719 604501686 /nfs/dbraw/zinc/50/16/86/604501686.db2.gz PAALIJYGLNWIHU-UHFFFAOYSA-N -1 0 330.409 3.858 20 0 EHADRM CCN(C(=O)Nc1cc(C(=O)[O-])cs1)[C@@H](C)c1cccc(O)c1 ZINC000829596714 604502549 /nfs/dbraw/zinc/50/25/49/604502549.db2.gz BAAKUHMYUAVTJY-JTQLQIEISA-N -1 0 334.397 3.767 20 0 EHADRM CCOCCC1(CNC(=O)c2ccc(C)c(NC(=O)[O-])c2)CCCC1 ZINC000827393813 604513566 /nfs/dbraw/zinc/51/35/66/604513566.db2.gz GEUSGADEGFYAJZ-UHFFFAOYSA-N -1 0 348.443 3.802 20 0 EHADRM O=C([O-])c1csc(NC(=O)NC[C@@H]2SCCc3ccccc32)c1 ZINC000833138653 604514772 /nfs/dbraw/zinc/51/47/72/604514772.db2.gz ILZNCHDBNSAVIS-ZDUSSCGKSA-N -1 0 348.449 3.598 20 0 EHADRM O=C([O-])c1csc(NC(=O)NCCCc2c[nH]c3ccccc23)c1 ZINC000833138934 604515010 /nfs/dbraw/zinc/51/50/10/604515010.db2.gz SQYABCUSFSQJPR-UHFFFAOYSA-N -1 0 343.408 3.682 20 0 EHADRM CC[C@H](NC(=O)Nc1cc(C(=O)[O-])cs1)c1ccccc1OC ZINC000828951283 604515658 /nfs/dbraw/zinc/51/56/58/604515658.db2.gz IUQDJJNKXSTMCV-LBPRGKRZSA-N -1 0 334.397 3.728 20 0 EHADRM Cc1cccc(C)c1NC(=O)NCc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000830489388 604527236 /nfs/dbraw/zinc/52/72/36/604527236.db2.gz VXZBGGPGIHWQFQ-AWEZNQCLSA-N -1 0 341.411 3.954 20 0 EHADRM CC[C@@H]1CCCCN1C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000829119069 604527630 /nfs/dbraw/zinc/52/76/30/604527630.db2.gz MHVMJJDAFZTHOS-HZPDHXFCSA-N -1 0 332.444 3.813 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)N1CCC(C)(C)CC1)c1ccccc1 ZINC000828068756 604533843 /nfs/dbraw/zinc/53/38/43/604533843.db2.gz CQJHVFXQVZXDBN-OAHLLOKOSA-N -1 0 332.444 3.670 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)N1CCCC(C)(C)C1)c1ccccc1 ZINC000828065066 604536108 /nfs/dbraw/zinc/53/61/08/604536108.db2.gz LBGIZRNZWJTZJC-OAHLLOKOSA-N -1 0 332.444 3.670 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000325842096 604541395 /nfs/dbraw/zinc/54/13/95/604541395.db2.gz XYJDNHXGDSMPPO-BPQIPLTHSA-N -1 0 329.440 3.950 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000325842100 604542870 /nfs/dbraw/zinc/54/28/70/604542870.db2.gz XYJDNHXGDSMPPO-RYQLBKOJSA-N -1 0 329.440 3.950 20 0 EHADRM CCO[C@H]1C[C@H](N(C)C(=O)Nc2ccc(NC(=O)[O-])cc2)C12CCC2 ZINC000827378321 604548933 /nfs/dbraw/zinc/54/89/33/604548933.db2.gz GHCQPWBCYXLERW-GJZGRUSLSA-N -1 0 347.415 3.588 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1ccc(C(C)C)nc1)c1ccccc1 ZINC000828594644 604551273 /nfs/dbraw/zinc/55/12/73/604551273.db2.gz ISAWBWFLMBBRMA-KRWDZBQOSA-N -1 0 326.396 3.715 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)COc2cc(C)ccc2C)oc1C(=O)[O-] ZINC000832926086 604559422 /nfs/dbraw/zinc/55/94/22/604559422.db2.gz FSGSPYBBVNTWQH-CYBMUJFWSA-N -1 0 332.352 3.586 20 0 EHADRM CC(C)(C)Oc1cccc(CN2C[C@@H](CC(=O)[O-])c3ccccc32)n1 ZINC000833447226 604561731 /nfs/dbraw/zinc/56/17/31/604561731.db2.gz GXRVRRJIIRFQHX-CQSZACIVSA-N -1 0 340.423 3.837 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2cc(F)c(F)c(F)c2F)oc1C(=O)[O-] ZINC000832876293 604567119 /nfs/dbraw/zinc/56/71/19/604567119.db2.gz SMEJIDRGEJBCOX-LURJTMIESA-N -1 0 346.232 3.761 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)Cc2cc3ccccc3o2)oc1C(=O)[O-] ZINC000832872061 604572975 /nfs/dbraw/zinc/57/29/75/604572975.db2.gz LTSQBFRDVMMDOW-LLVKDONJSA-N -1 0 328.320 3.879 20 0 EHADRM C[C@H]1CC[C@@H](CCC(=O)Nc2cccc(SCCC(=O)[O-])c2)O1 ZINC000833604228 604574599 /nfs/dbraw/zinc/57/45/99/604574599.db2.gz RNSHVLABXBFUSU-JSGCOSHPSA-N -1 0 337.441 3.540 20 0 EHADRM COc1ccc(CCCC(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC000832300045 604576879 /nfs/dbraw/zinc/57/68/79/604576879.db2.gz VXESIVZUETZFCG-ZDUSSCGKSA-N -1 0 346.379 3.922 20 0 EHADRM C[C@@H]1CCCN(C(=O)Nc2cccc(SCCC(=O)[O-])c2)[C@H]1C ZINC000833615018 604589884 /nfs/dbraw/zinc/58/98/84/604589884.db2.gz ZAUJSIJCWFGJLQ-OLZOCXBDSA-N -1 0 336.457 3.906 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2scnc2C(C)(C)C)oc1C(=O)[O-] ZINC000832875465 604594321 /nfs/dbraw/zinc/59/43/21/604594321.db2.gz SFPHBQHSNDZYOY-SECBINFHSA-N -1 0 337.397 3.958 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)[O-] ZINC000648042410 604598846 /nfs/dbraw/zinc/59/88/46/604598846.db2.gz JDHHATMXKLOPJP-SJCJKPOMSA-N -1 0 345.370 3.847 20 0 EHADRM CC[C@H](C)[C@@H](C)N(C(=O)NCCc1cccc(C(=O)[O-])c1)C1CC1 ZINC000833637368 604601404 /nfs/dbraw/zinc/60/14/04/604601404.db2.gz DIBFSBKDYKOMSI-UONOGXRCSA-N -1 0 332.444 3.536 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2c[nH]c3ccc(F)cc32)oc1C(=O)[O-] ZINC000832874418 604602381 /nfs/dbraw/zinc/60/23/81/604602381.db2.gz JQVDUBKZCLDPEC-VIFPVBQESA-N -1 0 331.299 3.825 20 0 EHADRM O=C([O-])c1sc2cccc(F)c2c1COC(=O)Cc1ccco1 ZINC000833118103 604608684 /nfs/dbraw/zinc/60/86/84/604608684.db2.gz IZALGMLJWAAMQE-UHFFFAOYSA-N -1 0 334.324 3.618 20 0 EHADRM O=C([O-])c1ccc2c(=O)[nH]c(C=Cc3ccc(F)cc3Cl)nc2c1 ZINC000833324600 604629212 /nfs/dbraw/zinc/62/92/12/604629212.db2.gz BISPZHOHXILVLS-ZZXKWVIFSA-N -1 0 344.729 3.997 20 0 EHADRM C[C@@H](Oc1ccc(CN2CC[C@H]2c2cccc(F)c2)cc1)C(=O)[O-] ZINC000833542633 604664568 /nfs/dbraw/zinc/66/45/68/604664568.db2.gz RNNKPKRGLSMWHY-ACJLOTCBSA-N -1 0 329.371 3.625 20 0 EHADRM C[C@H](Oc1ccc(CN2CC[C@H]2c2cccc(F)c2)cc1)C(=O)[O-] ZINC000833542641 604664695 /nfs/dbraw/zinc/66/46/95/604664695.db2.gz RNNKPKRGLSMWHY-UGSOOPFHSA-N -1 0 329.371 3.625 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N[C@@H]1CCSc2ccccc21 ZINC000262133455 604665672 /nfs/dbraw/zinc/66/56/72/604665672.db2.gz LABBGEVEEWYDGA-MRXNPFEDSA-N -1 0 341.432 3.671 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1-c1nc([C@H](C)CN(C)C(=O)[O-])no1 ZINC000830433168 604686293 /nfs/dbraw/zinc/68/62/93/604686293.db2.gz QTKIAYGDQHQRDM-SNVBAGLBSA-N -1 0 328.372 3.548 20 0 EHADRM Cc1cccc([C@@H](NC(=O)N2CCC[C@@H]2CC(=O)[O-])C(C)(C)C)c1 ZINC000832964590 604688831 /nfs/dbraw/zinc/68/88/31/604688831.db2.gz JXJCZEAQIGTBST-NVXWUHKLSA-N -1 0 332.444 3.731 20 0 EHADRM Cc1cc([C@@H](C)Sc2nnc(-c3ccncc3)o2)oc1C(=O)[O-] ZINC000832873077 604691883 /nfs/dbraw/zinc/69/18/83/604691883.db2.gz FSDKZLOYROGEFM-SECBINFHSA-N -1 0 331.353 3.585 20 0 EHADRM C/C(=C/c1cccc(Cl)c1)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000761977182 604705186 /nfs/dbraw/zinc/70/51/86/604705186.db2.gz GZJVKCXSHYHJIQ-XFXZXTDPSA-N -1 0 345.782 3.845 20 0 EHADRM C/C(=C\c1cccc(Cl)c1)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000761977180 604705260 /nfs/dbraw/zinc/70/52/60/604705260.db2.gz GZJVKCXSHYHJIQ-FMIVXFBMSA-N -1 0 345.782 3.845 20 0 EHADRM C[C@H](C(=O)N(C)C1(C(=O)[O-])CCCC1)c1ccc2ccccc2c1 ZINC000825971851 604712725 /nfs/dbraw/zinc/71/27/25/604712725.db2.gz HFTIDNNBHGJPCA-AWEZNQCLSA-N -1 0 325.408 3.799 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000832851591 604721909 /nfs/dbraw/zinc/72/19/09/604721909.db2.gz UYNQGTMKIVOSJE-UHFFFAOYSA-N -1 0 348.355 3.606 20 0 EHADRM CC(C)c1ccc([C@@H]2CCCN2C(=O)NCCCCC(=O)[O-])cc1 ZINC000666563095 604721985 /nfs/dbraw/zinc/72/19/85/604721985.db2.gz ZYRTZHBHTOSRRV-KRWDZBQOSA-N -1 0 332.444 3.911 20 0 EHADRM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)c1cccc(C(=O)[O-])c1 ZINC000432119327 604742444 /nfs/dbraw/zinc/74/24/44/604742444.db2.gz DFAVAQZCKKJAOM-NWDGAFQWSA-N -1 0 327.355 3.672 20 0 EHADRM C[C@@H]1CN(Cc2ccc(C(=O)[O-])cc2F)C[C@H](c2ccsc2)O1 ZINC000833630336 604762067 /nfs/dbraw/zinc/76/20/67/604762067.db2.gz ROYKBOHZJKDHLM-BDJLRTHQSA-N -1 0 335.400 3.547 20 0 EHADRM C[C@@H](Oc1ccc(CNc2cccc(-c3ncco3)c2)cc1)C(=O)[O-] ZINC000833538116 604779922 /nfs/dbraw/zinc/77/99/22/604779922.db2.gz BPEVSPVQNNVKFT-CYBMUJFWSA-N -1 0 338.363 3.806 20 0 EHADRM CCCC1(C(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)CCC1 ZINC000829230581 604780431 /nfs/dbraw/zinc/78/04/31/604780431.db2.gz MICPADQHTSOVTI-UHFFFAOYSA-N -1 0 344.455 3.758 20 0 EHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC000761866496 604781780 /nfs/dbraw/zinc/78/17/80/604781780.db2.gz RKLDFAXWVCZSEI-SNGWPZLWSA-N -1 0 347.773 3.825 20 0 EHADRM CCc1nnc(COc2cc(-c3ccccc3)sc2C(=O)[O-])o1 ZINC000830335263 604794777 /nfs/dbraw/zinc/79/47/77/604794777.db2.gz KGZDGTAWSJWPKH-UHFFFAOYSA-N -1 0 330.365 3.638 20 0 EHADRM C[C@@H](CSCc1ccccc1)C(=O)Oc1ccccc1C(=O)[O-] ZINC000827582161 604809988 /nfs/dbraw/zinc/80/99/88/604809988.db2.gz ZVIVGQNTZZMZFF-ZDUSSCGKSA-N -1 0 330.405 3.860 20 0 EHADRM C[C@H](CSCc1ccccc1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000827581211 604818352 /nfs/dbraw/zinc/81/83/52/604818352.db2.gz JVXZTCIVRXWHNK-CQSZACIVSA-N -1 0 343.448 3.822 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc([C@H](C)Sc2ccccn2)n1 ZINC000824219400 604829263 /nfs/dbraw/zinc/82/92/63/604829263.db2.gz SIPCDEUULANDMZ-QWRGUYRKSA-N -1 0 336.417 3.673 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2ccc3[nH]ccc3c2)cc1Cl ZINC000238010811 604845284 /nfs/dbraw/zinc/84/52/84/604845284.db2.gz BDEZLVCYBCXTIH-UHFFFAOYSA-N -1 0 344.754 3.537 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)ccc1F ZINC000237790816 604847509 /nfs/dbraw/zinc/84/75/09/604847509.db2.gz ZHQHVUNAVNKKCH-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM Cc1cc(COC(=O)c2ccc(C(=O)[O-])c(F)c2)c2ccccc2n1 ZINC000832884904 604856580 /nfs/dbraw/zinc/85/65/80/604856580.db2.gz HLVAYFDHKVDXOT-UHFFFAOYSA-N -1 0 339.322 3.738 20 0 EHADRM C[C@H](C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21)c1cccc(F)c1 ZINC000669434882 604857559 /nfs/dbraw/zinc/85/75/59/604857559.db2.gz MDXUVYHTTKGPLK-BLLLJJGKSA-N -1 0 327.355 3.534 20 0 EHADRM CCCCn1ncc(NC(=O)c2[nH]c(C)c(C(=O)[O-])c2CCC)c1C ZINC000833651640 604858795 /nfs/dbraw/zinc/85/87/95/604858795.db2.gz SIIMZBPHRAQBMM-UHFFFAOYSA-N -1 0 346.431 3.531 20 0 EHADRM CN(C(=O)c1cc2ccccc2c(Cl)n1)C1(C(=O)[O-])CCCCC1 ZINC000326738957 604863261 /nfs/dbraw/zinc/86/32/61/604863261.db2.gz HZCQDUVCFFLIRQ-UHFFFAOYSA-N -1 0 346.814 3.748 20 0 EHADRM CC(C)c1ccc([C@@H]2CCCN2C(=O)c2cccc(C(=O)[O-])n2)cc1 ZINC000833509764 604864636 /nfs/dbraw/zinc/86/46/36/604864636.db2.gz FKSHZCIVTAQCGT-SFHVURJKSA-N -1 0 338.407 3.881 20 0 EHADRM C[C@@H](C(=O)N(C)C1(C(=O)[O-])CCCCC1)c1ccc(Cl)s1 ZINC000191303134 604865208 /nfs/dbraw/zinc/86/52/08/604865208.db2.gz UEJYWDUSNXPIFJ-SNVBAGLBSA-N -1 0 329.849 3.751 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000833497153 604875650 /nfs/dbraw/zinc/87/56/50/604875650.db2.gz QSSSWNBVNNHRAR-UHFFFAOYSA-N -1 0 337.725 3.684 20 0 EHADRM C[C@@H](C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1)c1cccc(F)c1 ZINC000833411099 604877205 /nfs/dbraw/zinc/87/72/05/604877205.db2.gz LSUKJMJWXQRSGY-MRVPVSSYSA-N -1 0 334.372 3.600 20 0 EHADRM CC(C)Cc1ccc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000679102854 604877866 /nfs/dbraw/zinc/87/78/66/604877866.db2.gz IVLWWOVADOOQBY-KRWDZBQOSA-N -1 0 331.456 3.848 20 0 EHADRM Cc1c(C)c(C)c(COC(=O)c2cnccc2C(=O)[O-])c(C)c1C ZINC000832853376 604879579 /nfs/dbraw/zinc/87/95/79/604879579.db2.gz HUJMXODAPKRHOJ-UHFFFAOYSA-N -1 0 327.380 3.679 20 0 EHADRM Cc1cccc(CSCC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c1 ZINC000013224740 604879904 /nfs/dbraw/zinc/87/99/04/604879904.db2.gz DTMQKFZQARJVOA-KRWDZBQOSA-N -1 0 343.448 3.560 20 0 EHADRM C[C@@H]1CC(=O)c2c1c(F)ccc2OC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828148823 604880544 /nfs/dbraw/zinc/88/05/44/604880544.db2.gz DXDJQROPDRQDFC-MRVPVSSYSA-N -1 0 346.285 3.572 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CCCc2sccc21)c1ccc(Cl)cc1 ZINC000431814978 604882819 /nfs/dbraw/zinc/88/28/19/604882819.db2.gz QKXRPVIUDJGJNO-HIFRSBDPSA-N -1 0 349.839 3.764 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cc2ccc(F)cc2s1)c1ccccc1 ZINC000325341642 604883313 /nfs/dbraw/zinc/88/33/13/604883313.db2.gz DUZIXRUIRFLSBP-CQSZACIVSA-N -1 0 343.379 3.986 20 0 EHADRM C[C@@]1(NC(=O)c2ccc(SC(F)F)cc2)CCCC[C@@H]1C(=O)[O-] ZINC000262920839 604889172 /nfs/dbraw/zinc/88/91/72/604889172.db2.gz ZIHWWEWXFYGLMI-MLGOLLRUSA-N -1 0 343.395 3.765 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000679103570 604894902 /nfs/dbraw/zinc/89/49/02/604894902.db2.gz FYOMLRMWIZGWKA-OAHLLOKOSA-N -1 0 347.455 3.827 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C[C@H]2CCCc3ccccc32)C1 ZINC000679105044 604896815 /nfs/dbraw/zinc/89/68/15/604896815.db2.gz JDQXEXVOWMOOGE-IAGOWNOFSA-N -1 0 343.467 3.846 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1Cl ZINC000238009684 604902431 /nfs/dbraw/zinc/90/24/31/604902431.db2.gz LOSGQSLELNMTAJ-UHFFFAOYSA-N -1 0 344.754 3.537 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)Nc3cncc(C(=O)[O-])c3)o2)cc1 ZINC000830229457 604911403 /nfs/dbraw/zinc/91/14/03/604911403.db2.gz UDAQXRJAVAGRPH-UHFFFAOYSA-N -1 0 336.347 3.855 20 0 EHADRM Cc1ccc(C)c([C@H]2CCCN2C(=O)C2CCC(NC(=O)[O-])CC2)c1 ZINC000830267926 604918938 /nfs/dbraw/zinc/91/89/38/604918938.db2.gz IOKKURWVHOZSDN-LEOMRAHMSA-N -1 0 344.455 3.793 20 0 EHADRM C[C@H]1CCC[C@H](NC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)C1 ZINC000828244621 604920102 /nfs/dbraw/zinc/92/01/02/604920102.db2.gz AKLJDYRMYHYZIV-QWRGUYRKSA-N -1 0 340.807 3.504 20 0 EHADRM COc1ccc([C@H]2CCCN2C(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000832272914 604924357 /nfs/dbraw/zinc/92/43/57/604924357.db2.gz LSUPSXRWWAIALL-QGZVFWFLSA-N -1 0 343.354 3.510 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000832927622 604930026 /nfs/dbraw/zinc/93/00/26/604930026.db2.gz FMKSVDIGWPNGOB-KRWDZBQOSA-N -1 0 327.355 3.810 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2ccc(F)cc2F)C2CC2)cc1F ZINC000833310486 604930870 /nfs/dbraw/zinc/93/08/70/604930870.db2.gz PXEZRLLJKDQOCD-UHFFFAOYSA-N -1 0 349.308 3.607 20 0 EHADRM Cc1ccccc1[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000832977238 604943364 /nfs/dbraw/zinc/94/33/64/604943364.db2.gz FSJIPFNPTYONKN-QGZVFWFLSA-N -1 0 327.355 3.810 20 0 EHADRM C[C@H](NC(=O)[O-])C(=O)N([C@@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000833547424 604950002 /nfs/dbraw/zinc/95/00/02/604950002.db2.gz DCVZEPXDUJXVHE-STQMWFEESA-N -1 0 326.396 3.548 20 0 EHADRM Cc1cc(NC(=O)N[C@@H]2CCOC3(CCCCC3)C2)ccc1C(=O)[O-] ZINC000832895695 604953612 /nfs/dbraw/zinc/95/36/12/604953612.db2.gz NXHRVTHGQZKRNZ-OAHLLOKOSA-N -1 0 346.427 3.697 20 0 EHADRM COc1ccc2oc(C(=O)N[C@]3(C)CCCC[C@@H]3C(=O)[O-])c(C)c2c1 ZINC000559388676 604957749 /nfs/dbraw/zinc/95/77/49/604957749.db2.gz MMGDMYOROFGFJX-AUUYWEPGSA-N -1 0 345.395 3.513 20 0 EHADRM N#Cc1ccc(NC(=O)N[C@H](CC(=O)[O-])c2ccccc2)c(Cl)c1 ZINC000326155425 604962914 /nfs/dbraw/zinc/96/29/14/604962914.db2.gz YMRHQKUCFBFVTG-OAHLLOKOSA-N -1 0 343.770 3.549 20 0 EHADRM C[C@]1(NC(=O)CCCc2c[nH]c3ccccc23)CCCC[C@H]1C(=O)[O-] ZINC000262839507 604965007 /nfs/dbraw/zinc/96/50/07/604965007.db2.gz RYFCUEDAENVFOE-JXFKEZNVSA-N -1 0 342.439 3.640 20 0 EHADRM C[C@@]1(NC(=O)CCCc2c[nH]c3ccccc23)CCCC[C@@H]1C(=O)[O-] ZINC000262839512 604965477 /nfs/dbraw/zinc/96/54/77/604965477.db2.gz RYFCUEDAENVFOE-OXQOHEQNSA-N -1 0 342.439 3.640 20 0 EHADRM CC[C@@H](NC(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccc(C)cc1 ZINC000828958048 604975949 /nfs/dbraw/zinc/97/59/49/604975949.db2.gz QHSMSJSNECCNCC-CQSZACIVSA-N -1 0 347.440 3.742 20 0 EHADRM CC(C)[C@@H](OC(=O)CCCNC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000833473086 604977497 /nfs/dbraw/zinc/97/74/97/604977497.db2.gz PURBIGZIYRJCBD-CQSZACIVSA-N -1 0 347.333 3.994 20 0 EHADRM CCCCC[C@H]1CCCN1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000829347777 604981933 /nfs/dbraw/zinc/98/19/33/604981933.db2.gz MIBSGNHFUNGVSK-ZDUSSCGKSA-N -1 0 339.461 3.737 20 0 EHADRM C[C@@H]1CC[C@@H](COC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)O1 ZINC000833601646 604983745 /nfs/dbraw/zinc/98/37/45/604983745.db2.gz CWTAFEZRRTZXAZ-PELKAZGASA-N -1 0 347.289 3.520 20 0 EHADRM C[C@H](c1ccco1)N(C(=O)Nc1nc(CCC(=O)[O-])cs1)C1CC1 ZINC000827958506 604991572 /nfs/dbraw/zinc/99/15/72/604991572.db2.gz WFEDDTGEPQCPFQ-SNVBAGLBSA-N -1 0 349.412 3.511 20 0 EHADRM Cc1scc(-c2nc(COc3cccc(C(=O)[O-])c3)no2)c1C ZINC000833759259 605005688 /nfs/dbraw/zinc/00/56/88/605005688.db2.gz ZONUZNFTIUWBTG-UHFFFAOYSA-N -1 0 330.365 3.692 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000832915965 605011284 /nfs/dbraw/zinc/01/12/84/605011284.db2.gz KGIHNMIJUJHGIF-BPQIPLTHSA-N -1 0 336.391 3.543 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)OCc1ccc(Br)cc1F ZINC000833455510 605031902 /nfs/dbraw/zinc/03/19/02/605031902.db2.gz UFUHLWZFBWOMJN-UHFFFAOYSA-N -1 0 347.180 3.522 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)OCc1csc(C2CCCC2)n1 ZINC000833455401 605034361 /nfs/dbraw/zinc/03/43/61/605034361.db2.gz PRENEECXCFKZGW-UHFFFAOYSA-N -1 0 325.430 3.735 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(Cl)o2)ccc1Br ZINC000128144597 605063446 /nfs/dbraw/zinc/06/34/46/605063446.db2.gz JKXLAHAFFMMZHU-UHFFFAOYSA-N -1 0 344.548 3.646 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000236811869 605065523 /nfs/dbraw/zinc/06/55/23/605065523.db2.gz WQFGQINNEOQHHW-UHFFFAOYSA-N -1 0 335.734 3.771 20 0 EHADRM C[C@@H](CC(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000761619887 605065558 /nfs/dbraw/zinc/06/55/58/605065558.db2.gz MFAGDUPJXCFEMU-KPZWWZAWSA-N -1 0 347.361 3.743 20 0 EHADRM CC(C)[C@@H]1C[C@H](CC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CCO1 ZINC000833469464 605076549 /nfs/dbraw/zinc/07/65/49/605076549.db2.gz AFBWDJIXBXXBOX-ABAIWWIYSA-N -1 0 339.819 3.818 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCN2C(=O)C1CCC(C(=O)[O-])CC1 ZINC000797994326 605083688 /nfs/dbraw/zinc/08/36/88/605083688.db2.gz OXXIRPSQLFNVPO-UHFFFAOYSA-N -1 0 329.440 3.764 20 0 EHADRM C[C@@H](CC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccc(F)cc1F ZINC000581703534 605084897 /nfs/dbraw/zinc/08/48/97/605084897.db2.gz CQAIILFJJNIGNY-LBPRGKRZSA-N -1 0 339.382 3.562 20 0 EHADRM CC1(C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)CCCC1 ZINC000128158956 605094413 /nfs/dbraw/zinc/09/44/13/605094413.db2.gz VPXOUNFECPEJLC-UHFFFAOYSA-N -1 0 326.190 3.666 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccccc1OC(C)(C)C)C(=O)[O-] ZINC000833641030 605101498 /nfs/dbraw/zinc/10/14/98/605101498.db2.gz YPDMRLJZYAURJG-UHFFFAOYSA-N -1 0 336.432 3.876 20 0 EHADRM CC(C)(C)c1cc(NC(=O)C2CCC(C(=O)[O-])CC2)n(C(C)(C)C)n1 ZINC000833450388 605107944 /nfs/dbraw/zinc/10/79/44/605107944.db2.gz RIGQCMJBIDTQPJ-UHFFFAOYSA-N -1 0 349.475 3.765 20 0 EHADRM C[C@H]1CC[C@H](NC(=O)c2ccc(C(=O)[O-])c(F)c2)c2ccccc21 ZINC000833604518 605109541 /nfs/dbraw/zinc/10/95/41/605109541.db2.gz TXMJKPJEVUGWJR-GTNSWQLSSA-N -1 0 327.355 3.892 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000236606777 605111234 /nfs/dbraw/zinc/11/12/34/605111234.db2.gz NPDSLTPSZCWDLA-UHFFFAOYSA-N -1 0 327.808 3.957 20 0 EHADRM C[C@H]1CN(C(=O)C2CCC(C(=O)[O-])CC2)CC[C@@H]1c1ccccc1 ZINC000194423618 605113102 /nfs/dbraw/zinc/11/31/02/605113102.db2.gz KNWQPUFTWXDGSB-KUQKPQIMSA-N -1 0 329.440 3.530 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)CC1 ZINC000194424159 605113357 /nfs/dbraw/zinc/11/33/57/605113357.db2.gz NDKAYIFAAPJHSU-UHFFFAOYSA-N -1 0 349.402 3.977 20 0 EHADRM C[C@H]1CC[C@H](NC(=O)NCCCCCCC(=O)[O-])c2ccccc21 ZINC000833603617 605123517 /nfs/dbraw/zinc/12/35/17/605123517.db2.gz LYBIGOCDSQQJAZ-YOEHRIQHSA-N -1 0 332.444 3.959 20 0 EHADRM C[C@@H]1CN(C(=O)N[C@@H](CC2CCCC2)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000833622680 605126067 /nfs/dbraw/zinc/12/60/67/605126067.db2.gz MZJMXSJVPPKWKO-JLSDUUJJSA-N -1 0 344.455 3.670 20 0 EHADRM C[C@@H]1CC[C@@H](NC(=O)NCc2cccc(C(=O)[O-])c2)c2ccccc21 ZINC000833605150 605127575 /nfs/dbraw/zinc/12/75/75/605127575.db2.gz XWABTHXGPSSKOG-FZKQIMNGSA-N -1 0 338.407 3.823 20 0 EHADRM C[C@H]1CC[C@H](C(=O)Nc2nc(-c3ccc(C(=O)[O-])cc3)cs2)C1 ZINC000833606786 605129623 /nfs/dbraw/zinc/12/96/23/605129623.db2.gz VXQHVHSQTWURCX-GWCFXTLKSA-N -1 0 330.409 3.883 20 0 EHADRM CCS[C@H]1CC[C@H](N(C)C(=O)Nc2ccc(C)cc2C(=O)[O-])C1 ZINC000833668563 605136717 /nfs/dbraw/zinc/13/67/17/605136717.db2.gz SRBBYSVIZYSHMQ-STQMWFEESA-N -1 0 336.457 3.831 20 0 EHADRM CCS[C@H]1CC[C@H](N(C)C(=O)Nc2cccc(F)c2C(=O)[O-])C1 ZINC000833668856 605136818 /nfs/dbraw/zinc/13/68/18/605136818.db2.gz TWNCFPIYEHEKJG-QWRGUYRKSA-N -1 0 340.420 3.662 20 0 EHADRM CC(C)(C)Oc1cc(F)ccc1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833447161 605137326 /nfs/dbraw/zinc/13/73/26/605137326.db2.gz CRQFWPRJUNBXNK-NWDGAFQWSA-N -1 0 337.391 3.833 20 0 EHADRM CC1(c2ccccc2)CCN(C(=O)c2ccc(NC(=O)[O-])cc2)CC1 ZINC000833573657 605149790 /nfs/dbraw/zinc/14/97/90/605149790.db2.gz LHPODVXYJRPKLQ-UHFFFAOYSA-N -1 0 338.407 3.970 20 0 EHADRM C[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccc1F)c1cccc(F)c1F ZINC000833522276 605153856 /nfs/dbraw/zinc/15/38/56/605153856.db2.gz ZYORHDRPKKKCKJ-MRVPVSSYSA-N -1 0 338.285 3.685 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1C(C)C ZINC000431516888 605162796 /nfs/dbraw/zinc/16/27/96/605162796.db2.gz FBXDHGFRDYHUSV-UHFFFAOYSA-N -1 0 342.395 3.908 20 0 EHADRM CCC(CC)n1nc(C(=O)OCc2ccc(C(=O)[O-])cc2F)cc1C ZINC000833641530 605165441 /nfs/dbraw/zinc/16/54/41/605165441.db2.gz DMEARSGCTPABAR-UHFFFAOYSA-N -1 0 348.374 3.747 20 0 EHADRM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC000833599041 605172408 /nfs/dbraw/zinc/17/24/08/605172408.db2.gz VSCGDGJYGLVXKQ-BZNIZROVSA-N -1 0 343.358 3.534 20 0 EHADRM C[C@@H]1CCC[C@@H](OCCCCCC(=O)N2CCC[C@@H]2CC(=O)[O-])C1 ZINC000833606955 605173506 /nfs/dbraw/zinc/17/35/06/605173506.db2.gz BBYOGMJNZYTJQQ-BRWVUGGUSA-N -1 0 339.476 3.608 20 0 EHADRM Cc1ccccc1-c1cc(NC(=O)c2ccccc2NC(=O)[O-])n[nH]1 ZINC000833753416 605186770 /nfs/dbraw/zinc/18/67/70/605186770.db2.gz USCDKECRPWNLIR-UHFFFAOYSA-N -1 0 336.351 3.727 20 0 EHADRM C[C@H](c1ccccc1)N(C)C(=O)CNc1cc(C(=O)[O-])ccc1Cl ZINC000833550007 605217545 /nfs/dbraw/zinc/21/75/45/605217545.db2.gz UFDCHHPSCGBHOW-GFCCVEGCSA-N -1 0 346.814 3.670 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)[C@@H]2CCCC[C@@H]21 ZINC000833621546 605226181 /nfs/dbraw/zinc/22/61/81/605226181.db2.gz JENOXULZFVGFOE-IQMDTDKHSA-N -1 0 338.354 3.705 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000431215301 605229725 /nfs/dbraw/zinc/22/97/25/605229725.db2.gz CEYKYLNXPRSNKW-LPHOPBHVSA-N -1 0 339.435 3.978 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000833641750 605230403 /nfs/dbraw/zinc/23/04/03/605230403.db2.gz OEGTXUGYRKYBRO-UHFFFAOYSA-N -1 0 333.363 3.642 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)/C=C/c1ccc2ccccc2n1)C(=O)[O-] ZINC000833427332 605240346 /nfs/dbraw/zinc/24/03/46/605240346.db2.gz KNPHPFPVOAYSNP-SIFUEBAJSA-N -1 0 327.380 3.681 20 0 EHADRM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)Cc2ccccc2C(=O)[O-])C1 ZINC000263285682 605251394 /nfs/dbraw/zinc/25/13/94/605251394.db2.gz PNADKULBBNHFDV-FZKQIMNGSA-N -1 0 341.382 3.676 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2(c3ccc(F)cc3F)CCCC2)cn1 ZINC000833782848 605254285 /nfs/dbraw/zinc/25/42/85/605254285.db2.gz RFBQCWRETQFXKE-UHFFFAOYSA-N -1 0 346.333 3.509 20 0 EHADRM C[C@H](c1nc2ccccc2s1)N(C)C(=O)CC(C)(C)CC(=O)[O-] ZINC000191572562 605254660 /nfs/dbraw/zinc/25/46/60/605254660.db2.gz ANFGQQYUPLTNCL-LLVKDONJSA-N -1 0 334.441 3.707 20 0 EHADRM CCC(CC)n1ccc(C(=O)Oc2ccc(N(C)C(=O)[O-])cc2)n1 ZINC000826575129 605255310 /nfs/dbraw/zinc/25/53/10/605255310.db2.gz DXPSQJKMJVZIQC-UHFFFAOYSA-N -1 0 331.372 3.578 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NCC(C)(C)c1ccc(Cl)cc1 ZINC000649367705 605255627 /nfs/dbraw/zinc/25/56/27/605255627.db2.gz URTGGRGNNPMEHW-UHFFFAOYSA-N -1 0 325.836 3.625 20 0 EHADRM CNc1nnc(S[C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)s1 ZINC000833701232 605260733 /nfs/dbraw/zinc/26/07/33/605260733.db2.gz YZLCSIAIDRWOHD-MRVPVSSYSA-N -1 0 349.359 3.517 20 0 EHADRM C[C@@H]1CC[C@@]2(CCN(C(=O)Nc3ccc(NC(=O)[O-])c(F)c3)C2)C1 ZINC000833610823 605283972 /nfs/dbraw/zinc/28/39/72/605283972.db2.gz LUBBNHPUNLYIBK-PIGZYNQJSA-N -1 0 335.379 3.960 20 0 EHADRM C[C@H](Cc1noc(Cc2ccc(Cl)cc2Cl)n1)N(C)C(=O)[O-] ZINC000825048450 605315304 /nfs/dbraw/zinc/31/53/04/605315304.db2.gz RVBURXSGLGJGCW-MRVPVSSYSA-N -1 0 344.198 3.508 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)c2ccc(NC(=O)[O-])c(C)c2)n1 ZINC000830493859 605331675 /nfs/dbraw/zinc/33/16/75/605331675.db2.gz UOKUUOWIUNSLCX-QGZVFWFLSA-N -1 0 339.395 3.766 20 0 EHADRM C[C@@H]1CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C[C@H]1F ZINC000833616159 605390838 /nfs/dbraw/zinc/39/08/38/605390838.db2.gz RYDWNDUHKITRAC-IAQYHMDHSA-N -1 0 334.416 3.688 20 0 EHADRM CCc1cc(NC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)ccc1C ZINC000326488247 605398879 /nfs/dbraw/zinc/39/88/79/605398879.db2.gz ICGFLDYTIBTVBW-KRWDZBQOSA-N -1 0 326.396 3.895 20 0 EHADRM CCc1noc(C)c1CN[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000833678975 605399722 /nfs/dbraw/zinc/39/97/22/605399722.db2.gz KAYMPQPGNHREBV-AWEZNQCLSA-N -1 0 343.210 3.768 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2cncc(Cl)c2Cl)c1 ZINC000834263661 605410814 /nfs/dbraw/zinc/41/08/14/605410814.db2.gz DRSSUBUBAWREBN-UHFFFAOYSA-N -1 0 326.139 3.731 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@@H]2CCCC(F)(F)C2)c(Cl)c1 ZINC000832833201 605441882 /nfs/dbraw/zinc/44/18/82/605441882.db2.gz ILKSMWNIXLEFRY-SECBINFHSA-N -1 0 332.734 3.738 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)N(c1ncc(C(=O)[O-])s1)C1CC1 ZINC000833383268 605505703 /nfs/dbraw/zinc/50/57/03/605505703.db2.gz JHSPMMXHAOBBSL-XFXZXTDPSA-N -1 0 342.420 3.749 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000832342069 605529695 /nfs/dbraw/zinc/52/96/95/605529695.db2.gz VPJQWMIEBNRSTL-PSASIEDQSA-N -1 0 332.734 3.652 20 0 EHADRM O=C([O-])N[C@H]1CCCN(C(=O)Nc2cc(C(F)F)ccc2Cl)C1 ZINC000832365943 605557242 /nfs/dbraw/zinc/55/72/42/605557242.db2.gz OQXSPZBGTSNZRX-VIFPVBQESA-N -1 0 347.749 3.542 20 0 EHADRM C[C@H](NC(=O)C[C@H](NC(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000825102744 605567385 /nfs/dbraw/zinc/56/73/85/605567385.db2.gz WDURQRFPHDKUIB-ZBEGNZNMSA-N -1 0 348.349 3.541 20 0 EHADRM COc1ccccc1[C@@H](C)NC(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000829592611 605575960 /nfs/dbraw/zinc/57/59/60/605575960.db2.gz SMSUVVBTLGQNLA-GFCCVEGCSA-N -1 0 328.368 3.585 20 0 EHADRM Cc1cc(C(=O)Nc2nc(-c3ccc[nH]3)cs2)ccc1NC(=O)[O-] ZINC000829970202 605583448 /nfs/dbraw/zinc/58/34/48/605583448.db2.gz CHKKHHWPRBKRST-UHFFFAOYSA-N -1 0 342.380 3.789 20 0 EHADRM CCOc1ccc(NC(=O)C[C@@H](NC(=O)[O-])c2ccccc2)c(C)c1 ZINC000827439030 605592150 /nfs/dbraw/zinc/59/21/50/605592150.db2.gz GFMUEQJVIXKWNX-QGZVFWFLSA-N -1 0 342.395 3.731 20 0 EHADRM Cc1cc(C(=O)N[C@H](C)c2cc(F)ccc2F)ccc1NC(=O)[O-] ZINC000829940737 605596945 /nfs/dbraw/zinc/59/69/45/605596945.db2.gz PCAQYKXGMBBUCN-SNVBAGLBSA-N -1 0 334.322 3.854 20 0 EHADRM CCCc1ccccc1NC(=O)[C@H](CNC(=O)[O-])c1ccccc1 ZINC000826954917 605609359 /nfs/dbraw/zinc/60/93/59/605609359.db2.gz WJCCGRGFAGLWMF-MRXNPFEDSA-N -1 0 326.396 3.629 20 0 EHADRM Cc1cc(C(=O)N2CCc3cc(F)c(F)cc32)ccc1NC(=O)[O-] ZINC000829935302 605617916 /nfs/dbraw/zinc/61/79/16/605617916.db2.gz YMJWYRLOMADROM-UHFFFAOYSA-N -1 0 332.306 3.566 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2ccc3c(cnn3C(F)F)c2)c1 ZINC000834265487 605652957 /nfs/dbraw/zinc/65/29/57/605652957.db2.gz XAFONGBSGRBDIR-UHFFFAOYSA-N -1 0 346.293 3.774 20 0 EHADRM C[C@H](c1ccco1)N(C(=O)CN(C(=O)[O-])c1ccccc1)C1CC1 ZINC000825645486 605662751 /nfs/dbraw/zinc/66/27/51/605662751.db2.gz PHSXXCHCSCWAGE-CYBMUJFWSA-N -1 0 328.368 3.516 20 0 EHADRM C[C@@H](OC(=O)c1ccc([C@@H]2CCCOC2)cc1)c1ccc(C(=O)[O-])o1 ZINC000833532642 605673294 /nfs/dbraw/zinc/67/32/94/605673294.db2.gz RQIWMNVPDVKIEI-IUODEOHRSA-N -1 0 344.363 3.790 20 0 EHADRM CCc1nc([C@H](C)NC(=O)c2ccc(NC(=O)[O-])c(C)c2)cs1 ZINC000827627440 605685207 /nfs/dbraw/zinc/68/52/07/605685207.db2.gz RUPDSNXQMDTQLE-JTQLQIEISA-N -1 0 333.413 3.595 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)c1ccc(NC(=O)[O-])c(C)c1)C(C)C ZINC000829941067 605693823 /nfs/dbraw/zinc/69/38/23/605693823.db2.gz QKGACIQCBXYZGD-INIZCTEOSA-N -1 0 341.411 3.915 20 0 EHADRM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000833607075 605709729 /nfs/dbraw/zinc/70/97/29/605709729.db2.gz YWGUNGDUCMQSKN-VHSXEESVSA-N -1 0 345.321 3.971 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(OCCF)c2)ccc1NC(=O)[O-] ZINC000829966031 605712234 /nfs/dbraw/zinc/71/22/34/605712234.db2.gz PKIGMWHDQOYYJO-UHFFFAOYSA-N -1 0 332.331 3.686 20 0 EHADRM Cc1noc(C)c1[C@@H](C)Cc1nc([C@H]2CCCCCN2C(=O)[O-])no1 ZINC000833926972 605719943 /nfs/dbraw/zinc/71/99/43/605719943.db2.gz AKKHCZHYDWVQJY-GXFFZTMASA-N -1 0 348.403 3.616 20 0 EHADRM CC(C)CCO[C@@H](C)c1nc([C@@H]2CCCCCN2C(=O)[O-])no1 ZINC000833794638 605721554 /nfs/dbraw/zinc/72/15/54/605721554.db2.gz PDMKJBSOXWJSIT-STQMWFEESA-N -1 0 325.409 3.788 20 0 EHADRM O=C([O-])N1CCCCC[C@@H]1c1noc(-c2cncc3ccccc32)n1 ZINC000834107171 605722974 /nfs/dbraw/zinc/72/29/74/605722974.db2.gz HMTWJEZYMLAMRE-OAHLLOKOSA-N -1 0 338.367 3.880 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000834265454 605756680 /nfs/dbraw/zinc/75/66/80/605756680.db2.gz OWHVWDYZNDLMLD-AAEUAGOBSA-N -1 0 344.333 3.556 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)Nc1scnc1C1CC1)c1ccccc1 ZINC000834138733 605758585 /nfs/dbraw/zinc/75/85/85/605758585.db2.gz WNFUQMBUOATIBV-CYBMUJFWSA-N -1 0 345.424 3.748 20 0 EHADRM O=C([O-])c1ccc(F)c(COC(=O)[C@H](c2ccccc2)C2CC2)c1 ZINC000833780712 605820633 /nfs/dbraw/zinc/82/06/33/605820633.db2.gz BCFOLYWCLQWREQ-QGZVFWFLSA-N -1 0 328.339 3.761 20 0 EHADRM CCc1nc([C@@H]2CCCCN2Cc2cc(C(=O)[O-])ccc2Cl)no1 ZINC000833672469 605829905 /nfs/dbraw/zinc/82/99/05/605829905.db2.gz AVZNRCRTZOENSV-AWEZNQCLSA-N -1 0 349.818 3.711 20 0 EHADRM CC1(C)CC(C)(C)c2cc(NC(=O)c3cc(C(=O)[O-])no3)ccc21 ZINC000833556712 605878114 /nfs/dbraw/zinc/87/81/14/605878114.db2.gz ZATYFLTUCUPEGC-UHFFFAOYSA-N -1 0 328.368 3.584 20 0 EHADRM O=C([O-])NCCCCC(=O)Nc1ccccc1Oc1cccc(F)c1 ZINC000834234423 605919270 /nfs/dbraw/zinc/91/92/70/605919270.db2.gz FKFNCKTXBRGHPF-UHFFFAOYSA-N -1 0 346.358 3.994 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2c(F)cc(Cl)cc2F)cc1 ZINC000834257015 605973791 /nfs/dbraw/zinc/97/37/91/605973791.db2.gz WNQLGQJGXRVXBF-UHFFFAOYSA-N -1 0 326.686 3.960 20 0 EHADRM O=C([O-])N1CCC[C@@H](CCN[C@@H](c2nccs2)c2ccccc2)C1 ZINC000834100705 605983655 /nfs/dbraw/zinc/98/36/55/605983655.db2.gz UUZMRINZFKMMAG-GOEBONIOSA-N -1 0 345.468 3.602 20 0 EHADRM O=C([O-])N[C@H](CC(F)F)C(=O)Nc1ccc2oc3ccccc3c2c1 ZINC000834134290 606002775 /nfs/dbraw/zinc/00/27/75/606002775.db2.gz QTIUNZWPZDJOMB-GFCCVEGCSA-N -1 0 348.305 3.816 20 0 EHADRM O=C([O-])N[C@@H](CC(F)F)C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000834132782 606007748 /nfs/dbraw/zinc/00/77/48/606007748.db2.gz GGAJSTCSJLXCRV-AWEZNQCLSA-N -1 0 349.337 3.660 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCc1ccc(F)c(F)c1 ZINC000833906951 606009481 /nfs/dbraw/zinc/00/94/81/606009481.db2.gz SWMGYMGKUCLSKE-UHFFFAOYSA-N -1 0 335.310 3.685 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)Nc2cccnc2-c2ccccc2)cc1 ZINC000834249307 606029815 /nfs/dbraw/zinc/02/98/15/606029815.db2.gz SEFXMBICHDARSC-UHFFFAOYSA-N -1 0 347.374 3.769 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)NCc1cc2c(s1)CCCC2 ZINC000834272367 606048749 /nfs/dbraw/zinc/04/87/49/606048749.db2.gz GGKYPBLTQLUKTR-UHFFFAOYSA-N -1 0 344.436 3.576 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N[C@@H]1CCc2c1cccc2Cl ZINC000834270718 606052157 /nfs/dbraw/zinc/05/21/57/606052157.db2.gz AEKZADBVFHDIAV-MRXNPFEDSA-N -1 0 344.798 3.776 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)NCCCc1cccc(Cl)c1 ZINC000834272406 606055850 /nfs/dbraw/zinc/05/58/50/606055850.db2.gz GPKSJMKFOZSUCN-UHFFFAOYSA-N -1 0 346.814 3.721 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N[C@@H]1CCCCc2ccccc21 ZINC000834271779 606057958 /nfs/dbraw/zinc/05/79/58/606057958.db2.gz LLRDGTXORRRQAJ-GOSISDBHSA-N -1 0 338.407 3.903 20 0 EHADRM FC(F)(F)c1cccc(Oc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000826369100 608168920 /nfs/dbraw/zinc/16/89/20/608168920.db2.gz MRRSBKNNXRRPTG-UHFFFAOYSA-N -1 0 347.709 3.788 20 0 EHADRM Cc1cc(Oc2snc(Cl)c2-c2nnn[n-]2)ccc1Cl ZINC000826271719 608170881 /nfs/dbraw/zinc/17/08/81/608170881.db2.gz DTHPKIBULKSDSL-UHFFFAOYSA-N -1 0 328.184 3.731 20 0 EHADRM CC(C)(C)c1csc(CN2CCc3ccccc3[C@@H]2C(=O)[O-])n1 ZINC000321375522 970766827 /nfs/dbraw/zinc/76/68/27/970766827.db2.gz DCHIYYWXQPIPRR-MRXNPFEDSA-N -1 0 330.453 3.625 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccccc1Cl)c1ccc(Cl)c(F)c1 ZINC000181904251 939034524 /nfs/dbraw/zinc/03/45/24/939034524.db2.gz HYURPAOAIPRIHK-CYBMUJFWSA-N -1 0 342.153 3.688 20 0 EHADRM CC(C)c1cccc(NC(=O)N[C@]2(C(=O)[O-])CCc3ccccc32)c1 ZINC000684741526 939043102 /nfs/dbraw/zinc/04/31/02/939043102.db2.gz JLDJXRMSNYLZNS-HXUWFJFHSA-N -1 0 338.407 3.858 20 0 EHADRM CC1CCC(NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)(C(=O)[O-])CC1 ZINC000236810630 939044917 /nfs/dbraw/zinc/04/49/17/939044917.db2.gz GCYPONZXAXNQQN-FKWMUQNBSA-N -1 0 335.831 3.593 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000237331606 939046523 /nfs/dbraw/zinc/04/65/23/939046523.db2.gz JKTTXJVVGYLENI-CQSZACIVSA-N -1 0 335.812 3.618 20 0 EHADRM O=C([O-])C1(NC(=O)c2cccc(Oc3ccccc3)c2)CCCC1 ZINC000237985746 939053518 /nfs/dbraw/zinc/05/35/18/939053518.db2.gz UTXIGHGDSKFKMN-UHFFFAOYSA-N -1 0 325.364 3.606 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc(-c2ccccc2F)o1)c1ccccc1 ZINC000238033684 939055862 /nfs/dbraw/zinc/05/58/62/939055862.db2.gz LWOCSITYWIUPFN-QGZVFWFLSA-N -1 0 339.322 3.641 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000746366660 939062141 /nfs/dbraw/zinc/06/21/41/939062141.db2.gz ZLFXCPAASXFNFO-CQSZACIVSA-N -1 0 335.469 3.602 20 0 EHADRM C/C(=C/C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)c1ccccc1Cl ZINC000766961311 939081787 /nfs/dbraw/zinc/08/17/87/939081787.db2.gz FFSKVHQHLZQGGD-SYGIOELKSA-N -1 0 343.810 3.860 20 0 EHADRM Cc1ccsc1[C@H]1C[C@H]1C(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC000263206832 939109518 /nfs/dbraw/zinc/10/95/18/939109518.db2.gz ZEYBJDFTGSVJBS-GUTXKFCHSA-N -1 0 347.411 3.550 20 0 EHADRM CCC1CCC(NC(=O)c2cc(C)n(C3CC3)c2C)(C(=O)[O-])CC1 ZINC000346018443 939128472 /nfs/dbraw/zinc/12/84/72/939128472.db2.gz QMSXVULKNKOCEL-UHFFFAOYSA-N -1 0 332.444 3.593 20 0 EHADRM CC[C@@](NC(=O)c1cc(C)n(C2CC2)c1C)(C(=O)[O-])c1ccccc1 ZINC000362344954 939129181 /nfs/dbraw/zinc/12/91/81/939129181.db2.gz BKYRYLPJEFLXAH-FQEVSTJZSA-N -1 0 340.423 3.560 20 0 EHADRM O=C([O-])C1(NC(=O)c2cc3c(ccc4ccccc34)[nH]2)CCCCC1 ZINC000431210934 939149133 /nfs/dbraw/zinc/14/91/33/939149133.db2.gz TWWRCHGKHWKPMH-UHFFFAOYSA-N -1 0 336.391 3.838 20 0 EHADRM CC[C@](NC(=O)c1cccn1C1CCCC1)(C(=O)[O-])c1ccccc1 ZINC000431446708 939151631 /nfs/dbraw/zinc/15/16/31/939151631.db2.gz RFLQKQALVMIREZ-HXUWFJFHSA-N -1 0 340.423 3.723 20 0 EHADRM Cc1ccc(CNC(=O)N[C@H](C(=O)[O-])c2cccc3ccccc32)cc1 ZINC000797701963 939158887 /nfs/dbraw/zinc/15/88/87/939158887.db2.gz MMXLIISKDHGVSZ-IBGZPJMESA-N -1 0 348.402 3.773 20 0 EHADRM CC(C)c1cccc(O[C@H](C)C(=O)N[C@@H](C(=O)[O-])c2cccs2)c1 ZINC000448987894 939205256 /nfs/dbraw/zinc/20/52/56/939205256.db2.gz CSMRSPUCYXFOIP-MLGOLLRUSA-N -1 0 347.436 3.581 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000448998018 939206581 /nfs/dbraw/zinc/20/65/81/939206581.db2.gz VJVJZTIKCWQOLQ-HZMBPMFUSA-N -1 0 337.828 3.522 20 0 EHADRM CCSCc1ccc(C(=O)N[C@H](C(=O)[O-])c2cccs2)cc1 ZINC000449000075 939207267 /nfs/dbraw/zinc/20/72/67/939207267.db2.gz YDWGXBMBNLNVTO-AWEZNQCLSA-N -1 0 335.450 3.557 20 0 EHADRM CCc1cc(NC(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)ccc1C ZINC000797745413 939208075 /nfs/dbraw/zinc/20/80/75/939208075.db2.gz QUXNMFWXGXDQBU-INIZCTEOSA-N -1 0 348.349 3.783 20 0 EHADRM Cc1cc([C@@H](NC(=O)[C@@H]2CCCc3sccc32)C(=O)[O-])ccc1F ZINC000455882047 939208475 /nfs/dbraw/zinc/20/84/75/939208475.db2.gz ILYQHMXPWXIZOX-CZUORRHYSA-N -1 0 347.411 3.558 20 0 EHADRM Cc1cc(C(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2C)c(C)n1C1CC1 ZINC000455916153 939211121 /nfs/dbraw/zinc/21/11/21/939211121.db2.gz DWWPTTOBACEBPJ-GOSISDBHSA-N -1 0 340.423 3.612 20 0 EHADRM CSCc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2C)cc1 ZINC000455925960 939212836 /nfs/dbraw/zinc/21/28/36/939212836.db2.gz KVYLMEIPSNIIPA-QGZVFWFLSA-N -1 0 343.448 3.722 20 0 EHADRM CSCc1ccc(C(=O)N[C@H](C(=O)[O-])c2cccc(C)c2C)cc1 ZINC000455925955 939213065 /nfs/dbraw/zinc/21/30/65/939213065.db2.gz KVYLMEIPSNIIPA-KRWDZBQOSA-N -1 0 343.448 3.722 20 0 EHADRM CC[C@](NC(=O)Cc1cccc2ccccc21)(C(=O)[O-])c1ccccc1 ZINC000485371442 939227736 /nfs/dbraw/zinc/22/77/36/939227736.db2.gz JCEXQLBYXMFPOQ-JOCHJYFZSA-N -1 0 347.414 3.889 20 0 EHADRM CCCc1ccc(NC(=O)N[C@H](C(=O)[O-])c2cccc(OC)c2)cc1 ZINC000849212294 939235661 /nfs/dbraw/zinc/23/56/61/939235661.db2.gz ASQDINFESWJXNH-KRWDZBQOSA-N -1 0 342.395 3.595 20 0 EHADRM CC(C)COc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2cccs2)c1 ZINC000519817411 939253720 /nfs/dbraw/zinc/25/37/20/939253720.db2.gz IEBBKINEBRKUAT-OAHLLOKOSA-N -1 0 348.424 3.730 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2sccc2C(F)F)C(=O)[O-])c1C ZINC000872729481 939263129 /nfs/dbraw/zinc/26/31/29/939263129.db2.gz UXILTRFXYDLIII-LBPRGKRZSA-N -1 0 339.363 3.858 20 0 EHADRM CCc1cc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)sc1C ZINC000537364742 939265386 /nfs/dbraw/zinc/26/53/86/939265386.db2.gz YOWUHXODODCCJE-AWEZNQCLSA-N -1 0 337.828 3.828 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2ccc([C@H](F)C(F)(F)F)cc2)CCCC1 ZINC000887382441 939266726 /nfs/dbraw/zinc/26/67/26/939266726.db2.gz IBPPMBNELYXHSW-NSHDSACASA-N -1 0 348.296 3.778 20 0 EHADRM Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1C ZINC000539567553 939280871 /nfs/dbraw/zinc/28/08/71/939280871.db2.gz JFBPAGRTDFJLTN-HNNXBMFYSA-N -1 0 335.762 3.652 20 0 EHADRM CCO[C@@H]1C[C@](NC(=O)Nc2cccc(C(C)C)c2)(C(=O)[O-])C1(C)C ZINC000555852981 939307095 /nfs/dbraw/zinc/30/70/95/939307095.db2.gz QJVOZHLKBHFUIR-BEFAXECRSA-N -1 0 348.443 3.590 20 0 EHADRM CC(C)[C@@H](CNC(=O)N[C@@H](C(=O)[O-])c1cccs1)c1ccccc1 ZINC000562975331 939337881 /nfs/dbraw/zinc/33/78/81/939337881.db2.gz VNTUHONOVIGXAF-GDBMZVCRSA-N -1 0 346.452 3.613 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)N[C@@H](C(=O)[O-])c1ccsc1 ZINC000563448580 939339201 /nfs/dbraw/zinc/33/92/01/939339201.db2.gz CCSRGHLKHNAYQR-IINYFYTJSA-N -1 0 337.828 3.522 20 0 EHADRM CO[C@@H]1CCC[C@H]([C@H](NC(=O)Nc2cccc(C(C)C)c2)C(=O)[O-])C1 ZINC000566298798 939353675 /nfs/dbraw/zinc/35/36/75/939353675.db2.gz GCHYVFUUJFSBTN-UAGQMJEPSA-N -1 0 348.443 3.590 20 0 EHADRM Cc1ccc([C@H](NC(=O)Nc2cc(F)cc(F)c2)C(=O)[O-])cc1C ZINC000569656240 939376864 /nfs/dbraw/zinc/37/68/64/939376864.db2.gz XVGYOSIXHOBTJB-HNNXBMFYSA-N -1 0 334.322 3.529 20 0 EHADRM CCOc1ccc(NC(=O)N[C@H](C(=O)[O-])c2cccc(C)c2C)cc1 ZINC000570353491 939382804 /nfs/dbraw/zinc/38/28/04/939382804.db2.gz FCGDKMJGCUDVRS-KRWDZBQOSA-N -1 0 342.395 3.650 20 0 EHADRM O=C([O-])[C@H](NC(=O)NC1CCCCC1)c1ccc2ccccc2c1 ZINC000571001966 939387914 /nfs/dbraw/zinc/38/79/14/939387914.db2.gz GENRMXJIQANMNO-QGZVFWFLSA-N -1 0 326.396 3.597 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1cccc(F)c1)c1ccc(Cl)c(F)c1 ZINC000571512484 939392415 /nfs/dbraw/zinc/39/24/15/939392415.db2.gz CQLHVMRTDQEPPB-CYBMUJFWSA-N -1 0 340.713 3.566 20 0 EHADRM Cc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2C)c1C ZINC000572939566 939404033 /nfs/dbraw/zinc/40/40/33/939404033.db2.gz RMECWKSEMWHLAC-QGZVFWFLSA-N -1 0 326.396 3.868 20 0 EHADRM Cc1cc(C)cc([C@@H](NC(=O)Nc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC000573062156 939404465 /nfs/dbraw/zinc/40/44/65/939404465.db2.gz GECXXMUYSJCLNW-OAHLLOKOSA-N -1 0 332.787 3.904 20 0 EHADRM C[C@@H](NC(=O)NC1(C(=O)[O-])CCCCCC1)c1cccc(F)c1F ZINC000573546015 939719556 /nfs/dbraw/zinc/71/95/56/939719556.db2.gz DPMLCMPKQPJEIM-LLVKDONJSA-N -1 0 340.370 3.503 20 0 EHADRM Cc1ccc(C(C)C)c(OCC(=O)N[C@H](C(=O)[O-])c2ccsc2)c1 ZINC000574053865 939723508 /nfs/dbraw/zinc/72/35/08/939723508.db2.gz GWQRVTGWCHMUQA-KRWDZBQOSA-N -1 0 347.436 3.501 20 0 EHADRM CCCCc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2cccc(O)c2)cc1 ZINC000574747934 939729217 /nfs/dbraw/zinc/72/92/17/939729217.db2.gz CDFVPZVQCDEWQN-QGZVFWFLSA-N -1 0 342.395 3.682 20 0 EHADRM Cc1cccc([C@@H](NC(=O)CC2CC(OC(C)(C)C)C2)C(=O)[O-])c1C ZINC000909800622 939738127 /nfs/dbraw/zinc/73/81/27/939738127.db2.gz KWJNTZAOQRDSHJ-JTTJXQCZSA-N -1 0 347.455 3.529 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2c(s1)CCCCC2)c1ccsc1 ZINC000576528007 939739697 /nfs/dbraw/zinc/73/96/97/939739697.db2.gz CRVGZZPDUFBYQE-AWEZNQCLSA-N -1 0 335.450 3.634 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)N[C@@](C)(C(=O)[O-])C3CC3)cc2s1 ZINC000578155633 939752105 /nfs/dbraw/zinc/75/21/05/939752105.db2.gz FWKVHXKQMNAZRS-QGZVFWFLSA-N -1 0 347.440 3.795 20 0 EHADRM CCOc1ccc(NC(=O)N[C@](CC)(C(=O)[O-])c2ccccc2)cc1 ZINC000581109648 939776193 /nfs/dbraw/zinc/77/61/93/939776193.db2.gz AONNDDZTLCLSCI-IBGZPJMESA-N -1 0 342.395 3.597 20 0 EHADRM Cc1cnc(-c2cccc(NC(=O)NC3(C(=O)[O-])CCCCC3)c2)o1 ZINC000583731051 939793211 /nfs/dbraw/zinc/79/32/11/939793211.db2.gz PCAOFIYJDVJEGK-UHFFFAOYSA-N -1 0 343.383 3.559 20 0 EHADRM Cc1cc(C)cc([C@H](NC(=O)N[C@@H](C)c2ccsc2)C(=O)[O-])c1 ZINC000929033715 939795407 /nfs/dbraw/zinc/79/54/07/939795407.db2.gz IICZUIVAXWPMSU-WFASDCNBSA-N -1 0 332.425 3.551 20 0 EHADRM CC(C)c1ccc(SCC(=O)N[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC000584243328 939796561 /nfs/dbraw/zinc/79/65/61/939796561.db2.gz XDWHCTFBXVGMCN-INIZCTEOSA-N -1 0 349.477 3.906 20 0 EHADRM Cc1cc(C)cc([C@@H](NC(=O)CC2CCC(F)(F)CC2)C(=O)[O-])c1 ZINC000630187975 939814444 /nfs/dbraw/zinc/81/44/44/939814444.db2.gz CPJFFAMNQOHKRK-MRXNPFEDSA-N -1 0 339.382 3.761 20 0 EHADRM O=C([O-])[C@H](NC(=O)CC1CC(c2ccccc2)C1)c1ccccc1F ZINC000648333430 939832022 /nfs/dbraw/zinc/83/20/22/939832022.db2.gz TUXXWXHYNQHOKW-TYJKZOGGSA-N -1 0 341.382 3.652 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC000663038227 939850732 /nfs/dbraw/zinc/85/07/32/939850732.db2.gz GCSMWCMWMDPAHP-ZDUSSCGKSA-N -1 0 329.318 3.843 20 0 EHADRM Cc1nc(-c2ccccc2)sc1NC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC000663045495 939850856 /nfs/dbraw/zinc/85/08/56/939850856.db2.gz ILXYCVUORYYDFX-AWEZNQCLSA-N -1 0 344.436 3.948 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1cccc(Oc2ccccn2)c1)C1CCCC1 ZINC000663098145 939854557 /nfs/dbraw/zinc/85/45/57/939854557.db2.gz NSALMMAPAQTDNF-QGZVFWFLSA-N -1 0 340.379 3.703 20 0 EHADRM CC[C@](NC(=O)c1c(C)oc(C)c1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000671667526 939863609 /nfs/dbraw/zinc/86/36/09/939863609.db2.gz XATJWLRMLJZQNO-GOSISDBHSA-N -1 0 349.814 3.978 20 0 EHADRM O=C([O-])[C@@]1(NC(=O)CC/C=C/c2ccccc2)CCc2ccccc21 ZINC000675990270 939867313 /nfs/dbraw/zinc/86/73/13/939867313.db2.gz VABBDCZGDGYACU-LEWSRZTGSA-N -1 0 335.403 3.523 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)N[C@@H](C(=O)[O-])c3ccccc3F)cc2C1 ZINC000678987282 939869270 /nfs/dbraw/zinc/86/92/70/939869270.db2.gz QJQKUZKQKIXPPV-QLJPJBMISA-N -1 0 347.411 3.568 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cccc(-c2ccoc2)c1)c1ccccc1F ZINC000683317991 939870813 /nfs/dbraw/zinc/87/08/13/939870813.db2.gz CUWSGPFFOAZNEP-KRWDZBQOSA-N -1 0 339.322 3.641 20 0 EHADRM COc1ccc([C@H](NC(=O)Nc2cccc(C)c2)C(=O)[O-])cc1Cl ZINC000683921623 939871279 /nfs/dbraw/zinc/87/12/79/939871279.db2.gz VUZCLWAMRYOSSY-HNNXBMFYSA-N -1 0 348.786 3.604 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)CSCc2cccs2)c2ccccc21 ZINC000321468221 970774472 /nfs/dbraw/zinc/77/44/72/970774472.db2.gz SUTKAKRIRSEDCL-LBPRGKRZSA-N -1 0 347.461 3.586 20 0 EHADRM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C1 ZINC000321654502 970794470 /nfs/dbraw/zinc/79/44/70/970794470.db2.gz LAYFLMHIIJEWHB-UTLUCORTSA-N -1 0 326.343 3.561 20 0 EHADRM CCCCCC[C@H](C)NC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000321679945 970796812 /nfs/dbraw/zinc/79/68/12/970796812.db2.gz JOAYCFXEAQDMMZ-LSDHHAIUSA-N -1 0 326.481 3.878 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)NCCC(C)(C)C(=O)[O-] ZINC001600368381 970801792 /nfs/dbraw/zinc/80/17/92/970801792.db2.gz HGESGZXFARPZOV-AWEZNQCLSA-N -1 0 335.444 3.503 20 0 EHADRM CCC(CC)(CNC(=O)N(C)[C@@H](C)c1ccccc1Cl)C(=O)[O-] ZINC000321772635 970805471 /nfs/dbraw/zinc/80/54/71/970805471.db2.gz PWWOXJODKMIXTR-LBPRGKRZSA-N -1 0 340.851 3.933 20 0 EHADRM CN(Cc1coc(-c2cccs2)n1)Cc1ccc(C(=O)[O-])cc1 ZINC000321994370 970835449 /nfs/dbraw/zinc/83/54/49/970835449.db2.gz PHBZEPZVTPHOAU-UHFFFAOYSA-N -1 0 328.393 3.733 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)Nc1ccc(SC(F)F)cc1 ZINC000322438442 970886598 /nfs/dbraw/zinc/88/65/98/970886598.db2.gz ZQSVCLMXPQJXOG-UHFFFAOYSA-N -1 0 337.347 3.881 20 0 EHADRM C[C@@H]1CCN(Cc2coc(-c3cccc(Cl)c3)n2)[C@@H](C(=O)[O-])C1 ZINC000322501299 970895916 /nfs/dbraw/zinc/89/59/16/970895916.db2.gz OBOMCQFHCVCINO-IAQYHMDHSA-N -1 0 334.803 3.680 20 0 EHADRM Cc1oc(CS(=O)(=O)c2ccc(Cl)cc2Cl)cc1C(=O)[O-] ZINC000322613133 970910773 /nfs/dbraw/zinc/91/07/73/970910773.db2.gz SZAAAWNLBSJGOF-UHFFFAOYSA-N -1 0 349.191 3.567 20 0 EHADRM Cc1sc(NC(=O)c2ccc(C(F)(F)F)cn2)c(C(=O)[O-])c1C ZINC000323476551 971008639 /nfs/dbraw/zinc/00/86/39/971008639.db2.gz YOMQKJPLXPWYPM-UHFFFAOYSA-N -1 0 344.314 3.729 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)c1csc(Cl)n1)CCCC2 ZINC001601638241 971037363 /nfs/dbraw/zinc/03/73/63/971037363.db2.gz HJSYBLDWRFGHFG-UHFFFAOYSA-N -1 0 342.829 3.687 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)Cc1ccc2c(c1)CCCC2 ZINC000323870626 971049150 /nfs/dbraw/zinc/04/91/50/971049150.db2.gz IPBXLTLEPFCLCV-UHFFFAOYSA-N -1 0 327.355 3.584 20 0 EHADRM CCOc1ccc(Oc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000323925958 971060332 /nfs/dbraw/zinc/06/03/32/971060332.db2.gz XELDCRQILDJUGE-WMZJFQQLSA-N -1 0 329.308 3.884 20 0 EHADRM CCCCc1ccc(CC(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC000324168177 971091268 /nfs/dbraw/zinc/09/12/68/971091268.db2.gz FHATZJWVCXFKPW-UHFFFAOYSA-N -1 0 325.408 3.586 20 0 EHADRM C[C@@H](NC(=O)NCCc1ccc(C(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000324325100 971109449 /nfs/dbraw/zinc/10/94/49/971109449.db2.gz AAAOCPFINPQKQO-GFCCVEGCSA-N -1 0 346.814 3.641 20 0 EHADRM CC(C)c1cccc(NC(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)c1 ZINC000324498187 971125575 /nfs/dbraw/zinc/12/55/75/971125575.db2.gz NFVAGMJZOIXLOZ-OAHLLOKOSA-N -1 0 344.333 3.681 20 0 EHADRM Cc1oc(CNC(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000324534573 971130182 /nfs/dbraw/zinc/13/01/82/971130182.db2.gz IDSZICWXINANBB-UHFFFAOYSA-N -1 0 342.273 3.627 20 0 EHADRM CN(CC1CCCCC1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000324541741 971130288 /nfs/dbraw/zinc/13/02/88/971130288.db2.gz OEVAAAHTDLVPRX-UHFFFAOYSA-N -1 0 326.343 3.707 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N[C@H](C(F)F)C2CCCCC2)c1 ZINC001602138615 971154384 /nfs/dbraw/zinc/15/43/84/971154384.db2.gz LXOFSUBXOLKKBH-HNNXBMFYSA-N -1 0 340.370 3.649 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2ccc(N3CCCC3)cc2)CCCC1 ZINC000324797072 971158256 /nfs/dbraw/zinc/15/82/56/971158256.db2.gz OUQOYHWELLOHOI-UHFFFAOYSA-N -1 0 330.428 3.651 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)NCc2ccccc2CC(=O)[O-])c(C)s1 ZINC000325183712 971191349 /nfs/dbraw/zinc/19/13/49/971191349.db2.gz AXXKHYFLOGTIEO-GFCCVEGCSA-N -1 0 346.452 3.552 20 0 EHADRM O=C([O-])c1ccccc1CCNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000325243109 971196859 /nfs/dbraw/zinc/19/68/59/971196859.db2.gz IINHJUGEVNRVHP-HYVNUMGLSA-N -1 0 329.440 3.650 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2ccnc3cc(Cl)ccc32)c1 ZINC001602438696 971199414 /nfs/dbraw/zinc/19/94/14/971199414.db2.gz RYQIBHSAPZGQQM-UHFFFAOYSA-N -1 0 340.766 3.516 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC001602471741 971204605 /nfs/dbraw/zinc/20/46/05/971204605.db2.gz MFKOFTCWPYXLRK-UHOFOFEASA-N -1 0 327.767 3.563 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(C(F)(F)F)ccc2F)cc1O ZINC000325416993 971213611 /nfs/dbraw/zinc/21/36/11/971213611.db2.gz VGOIKGAQZZBJNO-UHFFFAOYSA-N -1 0 343.232 3.501 20 0 EHADRM CCc1ccc(Oc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000325470898 971219141 /nfs/dbraw/zinc/21/91/41/971219141.db2.gz TXADCTYHKLXTMT-UHFFFAOYSA-N -1 0 332.268 3.556 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)Nc1ccccc1OC(F)(F)F ZINC000325808923 971245366 /nfs/dbraw/zinc/24/53/66/971245366.db2.gz OZUJPFKOMOUDOL-LLVKDONJSA-N -1 0 348.321 3.596 20 0 EHADRM Cc1cc(C)nc(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])c1 ZINC000326307654 971281390 /nfs/dbraw/zinc/28/13/90/971281390.db2.gz GKXKNUHCHONBKG-UHFFFAOYSA-N -1 0 338.285 3.668 20 0 EHADRM CCc1ccc(NC(=O)N2CC=C(C(F)(F)F)CC2)c(C(=O)[O-])c1 ZINC000326544320 971301746 /nfs/dbraw/zinc/30/17/46/971301746.db2.gz LNKGDKGPORFNIZ-UHFFFAOYSA-N -1 0 342.317 3.674 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000326491412 971298288 /nfs/dbraw/zinc/29/82/88/971298288.db2.gz IPWSHMMRANISET-INIZCTEOSA-N -1 0 349.858 3.911 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](c2nc([C@H]3CSc4ccccc4O3)no2)C1 ZINC000326566825 971303643 /nfs/dbraw/zinc/30/36/43/971303643.db2.gz XQQAQAHNOXAKAX-NQBHXWOUSA-N -1 0 346.408 3.654 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000326785214 971327372 /nfs/dbraw/zinc/32/73/72/971327372.db2.gz VPCKLAOACMIRBR-ZWKOTPCHSA-N -1 0 344.455 3.897 20 0 EHADRM Cc1oc(CNC(=O)N[C@@H]2CCCCC23CCCC3)cc1C(=O)[O-] ZINC000326806182 971329642 /nfs/dbraw/zinc/32/96/42/971329642.db2.gz UOATZNUMIDPBOI-OAHLLOKOSA-N -1 0 334.416 3.588 20 0 EHADRM Cc1cc2ncn(CCOc3ccc(/C=C/C(=O)[O-])cc3)c2cc1C ZINC000326779410 971326706 /nfs/dbraw/zinc/32/67/06/971326706.db2.gz NAKWGPDDGBXIQA-VMPITWQZSA-N -1 0 336.391 3.830 20 0 EHADRM O=C([O-])[C@@H]1Cc2ccccc2N(C(=O)c2cc3ccccc3s2)C1 ZINC000326857001 971336788 /nfs/dbraw/zinc/33/67/88/971336788.db2.gz UJHRBXKISSLEFS-CQSZACIVSA-N -1 0 337.400 3.805 20 0 EHADRM COc1ccc(CN(C(=O)CC2(CC(=O)[O-])CCCC2)C2CC2)cc1 ZINC000327407816 971396435 /nfs/dbraw/zinc/39/64/35/971396435.db2.gz WNHFFKGLXMNCNX-UHFFFAOYSA-N -1 0 345.439 3.611 20 0 EHADRM C/C(=C\C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1cccs1 ZINC001602736073 971420207 /nfs/dbraw/zinc/42/02/07/971420207.db2.gz CKUFDSZADUSJPM-XXQUSICCSA-N -1 0 327.405 3.581 20 0 EHADRM Cc1ccc(OCCCC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])cc1 ZINC000327843889 971428723 /nfs/dbraw/zinc/42/87/23/971428723.db2.gz RZOAHGLRAHYREH-GOSISDBHSA-N -1 0 347.455 3.694 20 0 EHADRM C[C@@H](CCNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 ZINC000328027947 971442581 /nfs/dbraw/zinc/44/25/81/971442581.db2.gz OJYWZZKOQYHUQP-NSHDSACASA-N -1 0 348.349 3.978 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000013261555 948780232 /nfs/dbraw/zinc/78/02/32/948780232.db2.gz NSBCIZMPEYMGFY-UHFFFAOYSA-N -1 0 327.311 3.509 20 0 EHADRM CCC(F)(F)c1ccccc1NC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001589562247 948829442 /nfs/dbraw/zinc/82/94/42/948829442.db2.gz SPVHQGGBAYFJHK-OAHLLOKOSA-N -1 0 326.343 3.517 20 0 EHADRM CC[C@@H](NC(=O)c1coc(/C=C\C(=O)[O-])c1)c1cc(F)ccc1F ZINC001589568654 948891739 /nfs/dbraw/zinc/89/17/39/948891739.db2.gz NVOSLLJMLIGSEF-ZDTYVGOBSA-N -1 0 335.306 3.537 20 0 EHADRM C[C@H](NC(=O)c1cccc(C(=O)[O-])c1)c1ccc(Br)cc1 ZINC000049527756 948910142 /nfs/dbraw/zinc/91/01/42/948910142.db2.gz GXSCKJLRJYATQI-JTQLQIEISA-N -1 0 348.196 3.638 20 0 EHADRM CC(C)Sc1ccccc1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000347366274 971525262 /nfs/dbraw/zinc/52/52/62/971525262.db2.gz MCZQNXFUZPIBCC-UHFFFAOYSA-N -1 0 345.420 3.903 20 0 EHADRM CCCC[C@@H](NC(=O)CCCOc1cccc2ccccc21)C(=O)[O-] ZINC000347260087 971521538 /nfs/dbraw/zinc/52/15/38/971521538.db2.gz KWBZSPSGRDELBJ-QGZVFWFLSA-N -1 0 343.423 3.758 20 0 EHADRM CCCC[C@H](NC(=O)[C@H](c1cccc(Cl)c1)C(C)C)C(=O)[O-] ZINC000347256849 971521971 /nfs/dbraw/zinc/52/19/71/971521971.db2.gz GWIOQHHASSXRGR-GJZGRUSLSA-N -1 0 325.836 3.839 20 0 EHADRM CCCC[C@H](NC(=O)C1(Sc2ccccc2)CCCC1)C(=O)[O-] ZINC000347267481 971522893 /nfs/dbraw/zinc/52/28/93/971522893.db2.gz XGTZLWCOHPHJSY-HNNXBMFYSA-N -1 0 335.469 3.851 20 0 EHADRM C[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])c1ccccc1C(F)(F)F ZINC000353853315 971528638 /nfs/dbraw/zinc/52/86/38/971528638.db2.gz FFPXOTKUGUPXAF-SNVBAGLBSA-N -1 0 331.334 3.774 20 0 EHADRM COc1cccc(NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])c1 ZINC000362394818 971534743 /nfs/dbraw/zinc/53/47/43/971534743.db2.gz BPQJNTQJPMMCKJ-NSHDSACASA-N -1 0 331.393 3.513 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N(C)c1ccc(F)cc1)C(=O)[O-] ZINC000362483489 971535240 /nfs/dbraw/zinc/53/52/40/971535240.db2.gz COYDJTDXMVMMGI-NSHDSACASA-N -1 0 333.384 3.668 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000362517312 971536383 /nfs/dbraw/zinc/53/63/83/971536383.db2.gz YPFZTABAWYUVCE-JTQLQIEISA-N -1 0 332.227 3.666 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N2CCC[C@@H]2c2ccc(F)cc2F)o1 ZINC001595226084 949293901 /nfs/dbraw/zinc/29/39/01/949293901.db2.gz UKMIZLOMEDFHMO-GTBONMDNSA-N -1 0 347.317 3.633 20 0 EHADRM CC[C@]1(C)Oc2ccc(NC(=O)/C=C\c3ccc(C(=O)[O-])o3)cc2O1 ZINC001589611063 949322677 /nfs/dbraw/zinc/32/26/77/949322677.db2.gz UVHCNEKQZNMUMV-OTIVFRFGSA-N -1 0 343.335 3.527 20 0 EHADRM CC[C@@H]1CN(C(=O)NC[C@H](C(=O)[O-])C(C)C)CC[C@@H]1c1ccccc1 ZINC001589624376 949455950 /nfs/dbraw/zinc/45/59/50/949455950.db2.gz HJOKXMYDNMYPNS-NJAFHUGGSA-N -1 0 346.471 3.569 20 0 EHADRM CCC[C@H](Cc1ccccc1)NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001589632559 949569104 /nfs/dbraw/zinc/56/91/04/949569104.db2.gz WAURHYBZSQPVJT-GOSISDBHSA-N -1 0 340.423 3.595 20 0 EHADRM CC(C)c1cccc(NC(=O)CSc2nc(C(=O)[O-])cs2)c1 ZINC000379046342 971594319 /nfs/dbraw/zinc/59/43/19/971594319.db2.gz GILUIQSRWKXEBL-UHFFFAOYSA-N -1 0 336.438 3.696 20 0 EHADRM O=C([O-])c1ccccc1Cc1nc(-c2nccc3ccccc32)no1 ZINC001595255707 949604643 /nfs/dbraw/zinc/60/46/43/949604643.db2.gz VQDGNZZKKDJVKF-UHFFFAOYSA-N -1 0 331.331 3.574 20 0 EHADRM CCCC[C@@H](CC)CNC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589640894 949688018 /nfs/dbraw/zinc/68/80/18/949688018.db2.gz LTPUCCXHBODBKW-APIJFGDWSA-N -1 0 326.481 3.637 20 0 EHADRM CCCC[C@@H](CC)CNC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001589641348 949693098 /nfs/dbraw/zinc/69/30/98/949693098.db2.gz REWVKTNYZFVTRY-BEFAXECRSA-N -1 0 334.460 3.545 20 0 EHADRM CCCCC[C@H](NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)C(C)(C)C ZINC001589641860 949700025 /nfs/dbraw/zinc/70/00/25/949700025.db2.gz CVAHYUKCGREXRP-KFWWJZLASA-N -1 0 326.481 3.734 20 0 EHADRM CCCCOCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](CC)C2 ZINC001589652442 949785160 /nfs/dbraw/zinc/78/51/60/949785160.db2.gz BLUORIOCXKNJGZ-LLVKDONJSA-N -1 0 339.457 3.716 20 0 EHADRM CCCN(C)c1ccc(C(=O)OCc2ccc(C(=O)[O-])cc2)cc1 ZINC001589660748 949866612 /nfs/dbraw/zinc/86/66/12/949866612.db2.gz YSAURXLPLPQBLF-UHFFFAOYSA-N -1 0 327.380 3.588 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)N1CC2(CCC2)[C@H]1c1ccccc1 ZINC001595274222 949891373 /nfs/dbraw/zinc/89/13/73/949891373.db2.gz WEGYHDSAAGSUDB-MRXNPFEDSA-N -1 0 337.379 3.539 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000236898540 949945473 /nfs/dbraw/zinc/94/54/73/949945473.db2.gz CBMJKEOWKOXAKB-JKSUJKDBSA-N -1 0 347.455 3.682 20 0 EHADRM Cc1sc(C(=O)N(C)C[C@H](C)C(=O)[O-])cc1-c1ccc(F)cc1 ZINC000237409924 949960132 /nfs/dbraw/zinc/96/01/32/949960132.db2.gz VDPICEUOTDPDSZ-JTQLQIEISA-N -1 0 335.400 3.655 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)N3CCCC[C@H]3CCC(=O)[O-])cc2C1 ZINC000237547564 949964254 /nfs/dbraw/zinc/96/42/54/949964254.db2.gz FXELFGJZBKVXOL-OCCSQVGLSA-N -1 0 335.469 3.732 20 0 EHADRM CCCN(Cc1ccc(F)cc1F)C(=O)C(CC)(CC)C(=O)[O-] ZINC001589674368 949976085 /nfs/dbraw/zinc/97/60/85/949976085.db2.gz QHTAUYAWOHURCT-UHFFFAOYSA-N -1 0 327.371 3.594 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000238040929 949991820 /nfs/dbraw/zinc/99/18/20/949991820.db2.gz YTJZOEOOFYMLPW-ZDUSSCGKSA-N -1 0 333.771 3.679 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)c2cc(F)c(Cl)cc2Cl)C1 ZINC000379279330 971628363 /nfs/dbraw/zinc/62/83/63/971628363.db2.gz PYVKWCUKINHXCJ-SFYZADRCSA-N -1 0 334.174 3.506 20 0 EHADRM CC(C)c1ccc(CC2CCN(C(=O)[C@@H]3CC[C@H]3C(=O)[O-])CC2)cc1 ZINC000262146768 950073410 /nfs/dbraw/zinc/07/34/10/950073410.db2.gz OZLCIYUZFWGHBR-RTBURBONSA-N -1 0 343.467 3.702 20 0 EHADRM C[C@H](C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000262157430 950074442 /nfs/dbraw/zinc/07/44/42/950074442.db2.gz NSRZCJCLHCXTQR-SJCJKPOMSA-N -1 0 343.810 3.654 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC000262939192 950193534 /nfs/dbraw/zinc/19/35/34/950193534.db2.gz CCRVCESNKCQGCI-CQSZACIVSA-N -1 0 344.411 3.659 20 0 EHADRM CCN(C(=O)C[C@@H](Cc1ccccc1)c1ccccc1)[C@@H](C)C(=O)[O-] ZINC001589698727 950206467 /nfs/dbraw/zinc/20/64/67/950206467.db2.gz FNRVUQCSUAVGSA-QFBILLFUSA-N -1 0 339.435 3.725 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263025690 950220178 /nfs/dbraw/zinc/22/01/78/950220178.db2.gz ANYGEKZBFLSZTN-ONGXEEELSA-N -1 0 344.333 3.588 20 0 EHADRM C[C@H](CC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C)Cc1ccc(Cl)cc1 ZINC000263203084 950324849 /nfs/dbraw/zinc/32/48/49/950324849.db2.gz MQSSGHLUWGWAPB-YDHLFZDLSA-N -1 0 337.847 3.620 20 0 EHADRM C[C@@H](CN(C)C(=O)N[C@@H](CC1CCCC1)c1ccccc1)C(=O)[O-] ZINC000263237973 950337620 /nfs/dbraw/zinc/33/76/20/950337620.db2.gz NHWLPYNQKNIDTG-YOEHRIQHSA-N -1 0 332.444 3.670 20 0 EHADRM CCCN(C(=O)CCCCC(=O)[O-])[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000263329697 950375379 /nfs/dbraw/zinc/37/53/79/950375379.db2.gz UNOAUQPKSBNMGL-CVEARBPZSA-N -1 0 339.476 3.608 20 0 EHADRM Cc1c(C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)oc2c1c(C)ccc2C ZINC000263345143 950387949 /nfs/dbraw/zinc/38/79/49/950387949.db2.gz OIOXYXMUSOBMOO-YGRLFVJLSA-N -1 0 329.396 3.541 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263369745 950409810 /nfs/dbraw/zinc/40/98/10/950409810.db2.gz VADRRTLTFAHOFI-MWLCHTKSSA-N -1 0 335.400 3.532 20 0 EHADRM CCN(CCc1ccc(C(F)(F)F)cc1)C(=O)CCCCC(=O)[O-] ZINC001589735157 950530811 /nfs/dbraw/zinc/53/08/11/950530811.db2.gz ZFGYNZWIDBCYRX-UHFFFAOYSA-N -1 0 345.361 3.741 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(OCc3ccccc3)c2)nc1 ZINC000311483462 950736488 /nfs/dbraw/zinc/73/64/88/950736488.db2.gz IHRIPEZACFRQNT-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Nc1cc(Cl)ccc1F ZINC000315000319 950835088 /nfs/dbraw/zinc/83/50/88/950835088.db2.gz GCINDDXKUVIUPF-LLVKDONJSA-N -1 0 328.771 3.730 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(N2CCCCC2)c(F)c1 ZINC001602853029 971695527 /nfs/dbraw/zinc/69/55/27/971695527.db2.gz JECUYZBSSAPKMX-OAHLLOKOSA-N -1 0 336.407 3.501 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2)c1 ZINC000315663117 950851033 /nfs/dbraw/zinc/85/10/33/950851033.db2.gz TWIIDYKTPMPFFD-OWOJBTEDSA-N -1 0 337.162 3.739 20 0 EHADRM Cc1nc(Cl)c(Cl)cc1C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000319439768 950959629 /nfs/dbraw/zinc/95/96/29/950959629.db2.gz LHGYTCZVGPFGFN-SNVBAGLBSA-N -1 0 345.226 3.556 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)N[C@@H](C2CCC2)C2CCCCC2)C1 ZINC001594988451 951036485 /nfs/dbraw/zinc/03/64/85/951036485.db2.gz HWNKADKNKXXNOY-KBXCAEBGSA-N -1 0 336.476 3.632 20 0 EHADRM CCC(CC)(CNC(=O)c1cc(Cl)nc2ccccc21)C(=O)[O-] ZINC000323020508 951041445 /nfs/dbraw/zinc/04/14/45/951041445.db2.gz RBQPSGWEBNRLIR-UHFFFAOYSA-N -1 0 334.803 3.509 20 0 EHADRM CC(C)COc1cccc(C(=O)NC2(CC(=O)[O-])CCCCC2)c1 ZINC000325669932 951088608 /nfs/dbraw/zinc/08/86/08/951088608.db2.gz GIAZCAYOBPTDOF-UHFFFAOYSA-N -1 0 333.428 3.629 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)/C=C/c2ccc(Cl)cc2)Cc2ccccc21 ZINC000325651854 951089465 /nfs/dbraw/zinc/08/94/65/951089465.db2.gz YQVXFWAVDIKAMO-JEJOPICUSA-N -1 0 341.794 3.564 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)c1ccsc1Br)C(=O)[O-] ZINC001602860454 971715122 /nfs/dbraw/zinc/71/51/22/971715122.db2.gz BKDIHAKYDLBUDB-VIFPVBQESA-N -1 0 348.262 3.520 20 0 EHADRM Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000343100312 951131519 /nfs/dbraw/zinc/13/15/19/951131519.db2.gz XKMDJGACTBWJIS-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)CSc2ccc(F)cc2)c1 ZINC000336870110 951131874 /nfs/dbraw/zinc/13/18/74/951131874.db2.gz HHVAHZYIXCUHAS-UHFFFAOYSA-N -1 0 333.384 3.574 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)c1ccccc1OCc1ccccc1C ZINC000351535622 951134148 /nfs/dbraw/zinc/13/41/48/951134148.db2.gz FOHXFLURZBOFOK-UHFFFAOYSA-N -1 0 341.407 3.511 20 0 EHADRM CC(C)C[C@@H](NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000360832583 951136244 /nfs/dbraw/zinc/13/62/44/951136244.db2.gz LIPHSWKVNFMWSS-NOZJJQNGSA-N -1 0 332.227 3.712 20 0 EHADRM C[C@H](CC(=O)N1CCC(C)(C(=O)[O-])CC1)Cc1ccc(Cl)cc1 ZINC000365365413 951141879 /nfs/dbraw/zinc/14/18/79/951141879.db2.gz CBDNQOAFIPJGPG-ZDUSSCGKSA-N -1 0 337.847 3.622 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)NC[C@H]1CCCCC(F)(F)C1 ZINC001595011090 951242210 /nfs/dbraw/zinc/24/22/10/951242210.db2.gz DPUXCFCTKREBLU-UONOGXRCSA-N -1 0 346.418 3.631 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)N[C@H](C2CCC2)C2CCCC2)C1 ZINC001595012889 951272242 /nfs/dbraw/zinc/27/22/42/951272242.db2.gz LWVXZYLKUVRGNQ-KSSFIOAISA-N -1 0 336.476 3.632 20 0 EHADRM CCOc1ccc(NC(=O)c2cccc(C(=O)[O-])c2)c2ncccc12 ZINC001592705142 951358448 /nfs/dbraw/zinc/35/84/48/951358448.db2.gz LWPOOXJAWMTTIO-UHFFFAOYSA-N -1 0 336.347 3.584 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)c1 ZINC001595063220 951523025 /nfs/dbraw/zinc/52/30/25/951523025.db2.gz OVNXIRFCJHPRIP-NEPJUHHUSA-N -1 0 329.318 3.621 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)c1 ZINC001595066538 951553799 /nfs/dbraw/zinc/55/37/99/951553799.db2.gz LXNIRJZNUQZTIO-SJORKVTESA-N -1 0 342.370 3.521 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc(-c2cccc(F)c2)s1)C1CCC1 ZINC001595068203 951577284 /nfs/dbraw/zinc/57/72/84/951577284.db2.gz DOIOCDAGMVCQDD-UHFFFAOYSA-N -1 0 333.384 3.634 20 0 EHADRM CCC(CC)C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000381681634 971770822 /nfs/dbraw/zinc/77/08/22/971770822.db2.gz BHPJUCKEQSZULA-UHFFFAOYSA-N -1 0 328.206 3.830 20 0 EHADRM C[C@@H](NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)[C@@H]1CC2CCC1CC2 ZINC000381735820 971773596 /nfs/dbraw/zinc/77/35/96/971773596.db2.gz TXQMABGPUHHKAW-YMEAELAKSA-N -1 0 344.455 3.741 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F)C1CCCC1 ZINC000382810402 971834577 /nfs/dbraw/zinc/83/45/77/971834577.db2.gz MGWAYLDBDUCGGY-LLVKDONJSA-N -1 0 326.343 3.753 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)Nc2cc(Br)ccc2C(=O)[O-])C1 ZINC000383106064 971848322 /nfs/dbraw/zinc/84/83/22/971848322.db2.gz GRPSPAPPTGCDDF-ZJUUUORDSA-N -1 0 340.217 3.912 20 0 EHADRM C[C@H]1CCC[C@@H](C(=O)Nc2ccc(Br)cc2C(=O)[O-])C1 ZINC000383155309 971851532 /nfs/dbraw/zinc/85/15/32/971851532.db2.gz OZSTWFCVFSYZQJ-VHSXEESVSA-N -1 0 340.217 3.912 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1cc(Oc2ccccc2)ccc1O ZINC001602936453 971903001 /nfs/dbraw/zinc/90/30/01/971903001.db2.gz PCNDEZWQZACMBM-UHFFFAOYSA-N -1 0 343.379 3.558 20 0 EHADRM C[C@@H]1CCCN(Cc2csc(-c3ccccc3F)n2)[C@H]1C(=O)[O-] ZINC000424268046 953445095 /nfs/dbraw/zinc/44/50/95/953445095.db2.gz KXEKLUCESVUWIE-IAQYHMDHSA-N -1 0 334.416 3.634 20 0 EHADRM C[C@H]1CCCN(Cc2csc(-c3ccccc3F)n2)[C@H]1C(=O)[O-] ZINC000424268050 953445358 /nfs/dbraw/zinc/44/53/58/953445358.db2.gz KXEKLUCESVUWIE-XHDPSFHLSA-N -1 0 334.416 3.634 20 0 EHADRM Cc1cc(-c2ncccc2NC(=O)NCCC(C)(C)C(=O)[O-])cs1 ZINC000424394328 953459534 /nfs/dbraw/zinc/45/95/34/953459534.db2.gz XVPJPPQPSHNHPQ-UHFFFAOYSA-N -1 0 347.440 3.741 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1cccc2c(Cl)nccc12)C(=O)[O-] ZINC001593610136 953463429 /nfs/dbraw/zinc/46/34/29/953463429.db2.gz WUEQHAVRCZQSNO-ZANVPECISA-N -1 0 335.791 3.509 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCCC[C@@H]2CC2(Cl)Cl)c(F)c1 ZINC001594757080 953470927 /nfs/dbraw/zinc/47/09/27/953470927.db2.gz BZXYVTACDKTNCZ-SECBINFHSA-N -1 0 349.189 3.619 20 0 EHADRM O=C([O-])c1cncc(NC(=O)NCCCCCCc2ccccc2)c1 ZINC001594757228 953473773 /nfs/dbraw/zinc/47/37/73/953473773.db2.gz NYDAJNHMGGHCTK-UHFFFAOYSA-N -1 0 341.411 3.704 20 0 EHADRM CCC(CC)(CNC(=O)N(C)[C@H](C)c1cc(F)ccc1F)C(=O)[O-] ZINC000424416488 953478840 /nfs/dbraw/zinc/47/88/40/953478840.db2.gz VGULTBYRIFRGDW-LLVKDONJSA-N -1 0 342.386 3.558 20 0 EHADRM CC[C@H](C)[C@H](Nc1cc(SCc2ccccc2)ncn1)C(=O)[O-] ZINC001593614804 953494780 /nfs/dbraw/zinc/49/47/80/953494780.db2.gz MFONWBSNLDUWAM-LRDDRELGSA-N -1 0 331.441 3.680 20 0 EHADRM O=C([O-])c1cccc(C(=O)NCC2(c3ccc(F)cc3Cl)CC2)c1 ZINC000432090431 953502691 /nfs/dbraw/zinc/50/26/91/953502691.db2.gz RQSKWQWFYKIDCZ-UHFFFAOYSA-N -1 0 347.773 3.639 20 0 EHADRM CC[C@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccc(C)c(F)c1 ZINC001593618790 953513265 /nfs/dbraw/zinc/51/32/65/953513265.db2.gz CHHKGVZMLHFBEX-VIHMKRCTSA-N -1 0 331.343 3.706 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)N[C@@H](C(=O)[O-])C(C)C)cc2s1 ZINC000515896947 953540623 /nfs/dbraw/zinc/54/06/23/953540623.db2.gz HPCXYVGUQFCBTJ-CYBMUJFWSA-N -1 0 335.429 3.650 20 0 EHADRM O=C([O-])CC1(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)CCC1 ZINC000519536257 953550354 /nfs/dbraw/zinc/55/03/54/953550354.db2.gz IILQGXXVSZSPLT-UHFFFAOYSA-N -1 0 335.375 3.731 20 0 EHADRM CCc1c(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)cnn1C(CC)CC ZINC001593627296 953561192 /nfs/dbraw/zinc/56/11/92/953561192.db2.gz KEMYOXQWRPGDLX-GOSISDBHSA-N -1 0 333.432 3.556 20 0 EHADRM C[C@@H]1C[C@H](CCNC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)CC(C)(C)C1 ZINC001589286509 953578434 /nfs/dbraw/zinc/57/84/34/953578434.db2.gz VXFAOISLTBXGMA-FXUDXRNXSA-N -1 0 338.492 3.591 20 0 EHADRM O=C([O-])CCC(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC000561705724 953589194 /nfs/dbraw/zinc/58/91/94/953589194.db2.gz RCSGLEFSRLJVDV-INIZCTEOSA-N -1 0 331.799 3.605 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)NCCCCC(=O)[O-])C[C@@H](c2ccccc2)C1 ZINC001589292930 953618355 /nfs/dbraw/zinc/61/83/55/953618355.db2.gz IRCPIWLBAFOZLQ-BHYGNILZSA-N -1 0 332.444 3.513 20 0 EHADRM CCc1cccc2c1N(C(=O)/C=C/c1ccc(C(=O)[O-])o1)CCC2 ZINC001593641758 953646794 /nfs/dbraw/zinc/64/67/94/953646794.db2.gz GFKLAQBDNFUWBV-PKNBQFBNSA-N -1 0 325.364 3.533 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)C[C@@H]1C(=O)[O-] ZINC000572523715 953669291 /nfs/dbraw/zinc/66/92/91/953669291.db2.gz KYJHSRVEDPGXEZ-PELKAZGASA-N -1 0 331.199 3.568 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)C(c1ccccc1)c1ccccc1 ZINC001589299199 953679365 /nfs/dbraw/zinc/67/93/65/953679365.db2.gz IPUUCSDPALMYDP-YJBOKZPZSA-N -1 0 337.419 3.530 20 0 EHADRM CC(C)c1nc2cc(NC(=O)NCCCCCC(=O)[O-])ccc2o1 ZINC000581120782 953717633 /nfs/dbraw/zinc/71/76/33/953717633.db2.gz ANTKBLWCMSPJRQ-UHFFFAOYSA-N -1 0 333.388 3.718 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCC2(c3ccc(F)cc3Cl)CC2)cc1 ZINC000582114856 953721559 /nfs/dbraw/zinc/72/15/59/953721559.db2.gz JWNCGMWBZDFPFP-UHFFFAOYSA-N -1 0 347.773 3.639 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1CNC(=O)NCCCCCC(=O)[O-] ZINC001589310440 953786820 /nfs/dbraw/zinc/78/68/20/953786820.db2.gz NNBSDSYWZOMXQY-PMPSAXMXSA-N -1 0 326.481 3.639 20 0 EHADRM C[C@@H]1CCC[C@H](N(C)C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)C1 ZINC001589315237 953830522 /nfs/dbraw/zinc/83/05/22/953830522.db2.gz CXYKCJJYMUPTCZ-OSRSDYAFSA-N -1 0 330.428 3.520 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)NCc1ccccc1Oc1cccc(F)c1 ZINC001602969872 971963951 /nfs/dbraw/zinc/96/39/51/971963951.db2.gz GDLXYSWQDSYQQG-QGZVFWFLSA-N -1 0 345.370 3.591 20 0 EHADRM C[C@H]1CCCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)[C@H]1C(=O)[O-] ZINC001589327886 953926566 /nfs/dbraw/zinc/92/65/66/953926566.db2.gz DCHQIUBCUQMOSD-QPUJVOFHSA-N -1 0 349.736 3.684 20 0 EHADRM CN(C(=O)Nc1cncc(C(=O)[O-])c1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001593680976 953951991 /nfs/dbraw/zinc/95/19/91/953951991.db2.gz GFYRZBTXNPVOHZ-DLBZAZTESA-N -1 0 339.395 3.580 20 0 EHADRM C[C@@H]1CCN(C(=O)C2(c3cccc(F)c3)CCCCC2)C[C@H]1C(=O)[O-] ZINC001589335147 953986982 /nfs/dbraw/zinc/98/69/82/953986982.db2.gz CPOFRLSXQHFDKH-RHSMWYFYSA-N -1 0 347.430 3.597 20 0 EHADRM O=C([O-])[C@H](C(=O)NCc1ccccc1Sc1ccccc1)C1CC1 ZINC001594833705 954007782 /nfs/dbraw/zinc/00/77/82/954007782.db2.gz DIBQLGDABUESRT-KRWDZBQOSA-N -1 0 341.432 3.565 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1nc(-c2ccccc2)cs1)C1CCCC1 ZINC001594837456 954038556 /nfs/dbraw/zinc/03/85/56/954038556.db2.gz KRRUCZRMKIXNLU-CQSZACIVSA-N -1 0 330.409 3.640 20 0 EHADRM CC[C@H](C)[C@H](C)N(C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)C1CC1 ZINC000652111336 954071398 /nfs/dbraw/zinc/07/13/98/954071398.db2.gz SZLQMWWYGURNOX-AVYPCKFXSA-N -1 0 346.471 3.638 20 0 EHADRM O=C([O-])[C@H](NCc1cc2cc(Cl)cnc2o1)c1ccc(F)cc1 ZINC001594843533 954105865 /nfs/dbraw/zinc/10/58/65/954105865.db2.gz PUZWFWWYQSRQKM-CQSZACIVSA-N -1 0 334.734 3.536 20 0 EHADRM C[C@@H]1CCc2c(sc(NC(=O)CCc3ccco3)c2C(=O)[O-])C1 ZINC001589363041 954165812 /nfs/dbraw/zinc/16/58/12/954165812.db2.gz DTQUHLZJEOLGDV-SNVBAGLBSA-N -1 0 333.409 3.735 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)C(C2CC2)C2CC2)CC1 ZINC000653556402 954195180 /nfs/dbraw/zinc/19/51/80/954195180.db2.gz HFBLVLIEAHKRHO-UHFFFAOYSA-N -1 0 327.424 3.527 20 0 EHADRM CC(C)[C@H](CNC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000655570302 954208395 /nfs/dbraw/zinc/20/83/95/954208395.db2.gz ZTYSQVGABSRJTM-FZMZJTMJSA-N -1 0 345.361 3.672 20 0 EHADRM CC[C@H](C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccc(F)cc1 ZINC000655575870 954214219 /nfs/dbraw/zinc/21/42/19/954214219.db2.gz LKIWLVXYYSXEMX-IPOQPSJVSA-N -1 0 335.419 3.571 20 0 EHADRM C[C@H](CCNC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655867164 954252406 /nfs/dbraw/zinc/25/24/06/954252406.db2.gz VIKXRPKHGGSZBD-TXCZRRACSA-N -1 0 346.471 3.615 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cccc(F)c2C(C)(F)F)CC[C@H]1C(=O)[O-] ZINC001589386520 954309269 /nfs/dbraw/zinc/30/92/69/954309269.db2.gz HTUSMUGCILEOGZ-VHSXEESVSA-N -1 0 344.333 3.512 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(OCC(F)F)cc2)CCCCCC1 ZINC000663091731 954473315 /nfs/dbraw/zinc/47/33/15/954473315.db2.gz LZDLNLWQIMIAPI-UHFFFAOYSA-N -1 0 341.354 3.694 20 0 EHADRM O=C([O-])C1(C(=O)Nc2nc(-c3ccccn3)cs2)CCCCCC1 ZINC000663094655 954476752 /nfs/dbraw/zinc/47/67/52/954476752.db2.gz DNUNXJITCPBXMT-UHFFFAOYSA-N -1 0 345.424 3.569 20 0 EHADRM O=C([O-])CCCCNC(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000666558311 954558769 /nfs/dbraw/zinc/55/87/69/954558769.db2.gz PBZQTVMVVAYUSE-UHFFFAOYSA-N -1 0 345.226 3.537 20 0 EHADRM C[C@@H]1CCN(C(=O)NCc2cccc(C(=O)[O-])c2)[C@@H](c2ccco2)C1 ZINC000666562560 954560942 /nfs/dbraw/zinc/56/09/42/954560942.db2.gz MEPMYXMAPMVONF-CZUORRHYSA-N -1 0 342.395 3.661 20 0 EHADRM O=C([O-])CCCCNc1ccc(Br)c(C(F)(F)F)n1 ZINC000668160553 954565299 /nfs/dbraw/zinc/56/52/99/954565299.db2.gz RXASXKUGWIJUEI-UHFFFAOYSA-N -1 0 341.127 3.530 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2ccc([C@H]3CCCOC3)cc2)c1 ZINC000668273174 954567329 /nfs/dbraw/zinc/56/73/29/954567329.db2.gz WAPKJUKOKOTYFL-INIZCTEOSA-N -1 0 325.364 3.531 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)Cc2ccc3c(c2)CCCC3)c2ccccc21 ZINC000669436388 954573614 /nfs/dbraw/zinc/57/36/14/954573614.db2.gz NPHFSUBQYBFUKQ-IBGZPJMESA-N -1 0 349.430 3.713 20 0 EHADRM CC(C)Oc1ccc(NC(=O)NCCCCC(=O)[O-])cc1Cl ZINC000669495774 954577080 /nfs/dbraw/zinc/57/70/80/954577080.db2.gz PYJJXXFWBOXLQJ-UHFFFAOYSA-N -1 0 328.796 3.504 20 0 EHADRM C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001589418575 954580645 /nfs/dbraw/zinc/58/06/45/954580645.db2.gz WAKQXXIVPQZAOS-GGZOMVNGSA-N -1 0 342.222 3.550 20 0 EHADRM CCC(C)(C)C1CCC(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)CC1 ZINC001589448193 954784661 /nfs/dbraw/zinc/78/46/61/954784661.db2.gz XXNZCRGOEZZOFU-QRNKSROTSA-N -1 0 338.492 3.734 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCCc2ccsc2)c2ccccc21 ZINC001594919400 954797124 /nfs/dbraw/zinc/79/71/24/954797124.db2.gz WXXGNSXWYIQVAL-OAHLLOKOSA-N -1 0 329.421 3.676 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)NCC1(c2ccc(C)c(C)c2)CCC1 ZINC001589473682 954937431 /nfs/dbraw/zinc/93/74/31/954937431.db2.gz HAOGVGLSONEUJX-UHFFFAOYSA-N -1 0 331.456 3.732 20 0 EHADRM CCC(CC)(CNC(=O)/C=C\Sc1cc(F)ccc1F)C(=O)[O-] ZINC001589488128 954998241 /nfs/dbraw/zinc/99/82/41/954998241.db2.gz WXRZUDXJYYQHCG-FPLPWBNLSA-N -1 0 343.395 3.578 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)Nc2ccc(F)cc2OCC2CC2)co1 ZINC001594969502 955092361 /nfs/dbraw/zinc/09/23/61/955092361.db2.gz ZOQYNDXLHNQNSX-GQCTYLIASA-N -1 0 345.326 3.558 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)NCC2(c3ccccc3)CCCC2)co1 ZINC001594969611 955094171 /nfs/dbraw/zinc/09/41/71/955094171.db2.gz JAAJXKVJRSDQAR-HJWRWDBZSA-N -1 0 339.391 3.619 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)Nc1ccc(C(F)F)cc1)C2 ZINC000386657358 972071402 /nfs/dbraw/zinc/07/14/02/972071402.db2.gz RVJUDBASZLBFRT-UHFFFAOYSA-N -1 0 346.333 3.913 20 0 EHADRM CC[C@H](CNC(=O)N1CCCC[C@H]1c1cccc(C)c1C)C(=O)[O-] ZINC001589529441 955144526 /nfs/dbraw/zinc/14/45/26/955144526.db2.gz VFJAPXHHOOKRQM-WBVHZDCISA-N -1 0 332.444 3.651 20 0 EHADRM C[C@@H](NC(=O)CCCC(=O)[O-])[C@H](C)c1ccccc1C(F)(F)F ZINC000753968619 955263020 /nfs/dbraw/zinc/26/30/20/955263020.db2.gz WOTMHOLWLUJZDJ-WDEREUQCSA-N -1 0 331.334 3.569 20 0 EHADRM CC[C@H](C)c1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000769559949 955323150 /nfs/dbraw/zinc/32/31/50/955323150.db2.gz SJYNGLXOBFKNBK-KBXCAEBGSA-N -1 0 325.408 3.626 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl ZINC001589001167 955325579 /nfs/dbraw/zinc/32/55/79/955325579.db2.gz GIAIKVDJLFUIPX-QMMMGPOBSA-N -1 0 341.194 3.582 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)c1cccc(F)c1Sc1ccccc1 ZINC001589002085 955336095 /nfs/dbraw/zinc/33/60/95/955336095.db2.gz KCECVHGMHBQDBI-NSHDSACASA-N -1 0 333.384 3.570 20 0 EHADRM Cc1oc(-c2cccs2)nc1CNCc1ccccc1C(=O)[O-] ZINC001594504758 955350554 /nfs/dbraw/zinc/35/05/54/955350554.db2.gz PDSKDNBILXFSKT-UHFFFAOYSA-N -1 0 328.393 3.700 20 0 EHADRM C[C@@](CNC(=O)/C=C/c1ccc(Cl)cc1)(C(=O)[O-])c1ccccc1 ZINC000799251294 955353033 /nfs/dbraw/zinc/35/30/33/955353033.db2.gz CVGNYEKZFUBGFA-DLENHJPASA-N -1 0 343.810 3.512 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)/C=C\c2ccc(Cl)s2)c1 ZINC000386895438 972089114 /nfs/dbraw/zinc/08/91/14/972089114.db2.gz BEXFADOSFARVQX-ALCCZGGFSA-N -1 0 337.784 3.517 20 0 EHADRM Cc1cc(C(=O)[O-])c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)s1 ZINC000387030036 972098181 /nfs/dbraw/zinc/09/81/81/972098181.db2.gz FJRKUISDPOJDRZ-SECBINFHSA-N -1 0 339.800 3.814 20 0 EHADRM C[C@H](CNC(=O)N[C@H](c1cccc(Cl)c1)C1CCCC1)C(=O)[O-] ZINC001589050497 955656311 /nfs/dbraw/zinc/65/63/11/955656311.db2.gz CYOGBXPGAVWADC-ABAIWWIYSA-N -1 0 338.835 3.591 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2ccc(N3CCCCCC3)cc2)CCC1 ZINC000844301370 955675542 /nfs/dbraw/zinc/67/55/42/955675542.db2.gz WFUOVTHYCOPIAJ-UHFFFAOYSA-N -1 0 345.443 3.586 20 0 EHADRM C[C@H](CNC(=O)Nc1ccccc1C(=O)[O-])Oc1cccc(Cl)c1 ZINC001589058335 955716183 /nfs/dbraw/zinc/71/61/83/955716183.db2.gz XUHUKJMARFUUKA-LLVKDONJSA-N -1 0 348.786 3.627 20 0 EHADRM Cc1cc2c(cc1C)N(C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)CC2 ZINC000848593963 955767906 /nfs/dbraw/zinc/76/79/06/955767906.db2.gz WBVBTIMXHMLYDU-VNQPRFMTSA-N -1 0 344.455 3.511 20 0 EHADRM CC(F)(F)c1c(F)cccc1NC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC001589085396 955896813 /nfs/dbraw/zinc/89/68/13/955896813.db2.gz UJCZMUKBQRWGEL-INIZCTEOSA-N -1 0 327.302 3.687 20 0 EHADRM O=C([O-])CC1CCN(Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000387752850 972137045 /nfs/dbraw/zinc/13/70/45/972137045.db2.gz BKGFVVGOVVJFON-UHFFFAOYSA-N -1 0 333.762 3.628 20 0 EHADRM CC(C)Oc1cccc([C@H](C)NC(=O)/C=C/c2ccc(C(=O)[O-])o2)c1 ZINC000864104061 955934203 /nfs/dbraw/zinc/93/42/03/955934203.db2.gz XCEHGKRHTYIOIS-FROQITRMSA-N -1 0 343.379 3.656 20 0 EHADRM C[C@@H]1CN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)CC[C@H]1c1ccccc1 ZINC000864113949 955941753 /nfs/dbraw/zinc/94/17/53/955941753.db2.gz YCWCTPDBUZEXDL-XXQHSVDTSA-N -1 0 339.391 3.643 20 0 EHADRM O=C([O-])CC1(NC(=O)/C=C\c2ccc(F)c3ccccc23)CCC1 ZINC000864119378 955947387 /nfs/dbraw/zinc/94/73/87/955947387.db2.gz BEJAGMODYOUYNA-CLFYSBASSA-N -1 0 327.355 3.506 20 0 EHADRM C[C@@H](NC(=O)CCSCc1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589095085 955979545 /nfs/dbraw/zinc/97/95/45/955979545.db2.gz OJKBCGLNJDTQMA-VNQPRFMTSA-N -1 0 349.496 3.562 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2sccc2C(F)F)Cc2ccccc21 ZINC000872717258 956060319 /nfs/dbraw/zinc/06/03/19/956060319.db2.gz GPGVFZLJTYLAII-LBPRGKRZSA-N -1 0 337.347 3.510 20 0 EHADRM C[C@@H](NC(=O)c1[nH]c2ccccc2c1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589114512 956083635 /nfs/dbraw/zinc/08/36/35/956083635.db2.gz QZDQLQWCGYLCAK-ADEWGFFLSA-N -1 0 348.830 3.687 20 0 EHADRM C[C@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)c1cccc(C2CC2)c1 ZINC001589117392 956101955 /nfs/dbraw/zinc/10/19/55/956101955.db2.gz AIFATQKQELJXBL-ZDUSSCGKSA-N -1 0 339.391 3.518 20 0 EHADRM COc1cc(NC(=O)N2CCC(C)(C(=O)[O-])CC2)cc2ccccc21 ZINC000899316301 956285910 /nfs/dbraw/zinc/28/59/10/956285910.db2.gz DDHICZHDTPFWRV-UHFFFAOYSA-N -1 0 342.395 3.567 20 0 EHADRM Cc1ccnc(Oc2ccc(C(=O)NC(C)(C)CCC(=O)[O-])cc2)c1 ZINC000901446717 956313534 /nfs/dbraw/zinc/31/35/34/956313534.db2.gz UVYMHIMKGUVLOK-UHFFFAOYSA-N -1 0 342.395 3.556 20 0 EHADRM C[C@H](OC(=O)[C@]1(C(=O)[O-])CC=CCC1)c1ccc(C(F)(F)F)cn1 ZINC001589159108 956391170 /nfs/dbraw/zinc/39/11/70/956391170.db2.gz QZBBMBZNTKGSEM-ZUZCIYMTSA-N -1 0 343.301 3.516 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1ccc(C(=O)[O-])nc1)CCC2 ZINC001603106786 972180898 /nfs/dbraw/zinc/18/08/98/972180898.db2.gz HTHMCRJHZFLNRP-KRWDZBQOSA-N -1 0 338.407 3.711 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000901705598 956430321 /nfs/dbraw/zinc/43/03/21/956430321.db2.gz TUZSCESZYLAJIY-UHFFFAOYSA-N -1 0 349.736 3.686 20 0 EHADRM C[C@H](SC[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC001589169284 956456160 /nfs/dbraw/zinc/45/61/60/956456160.db2.gz NKEDUESRRAURFX-AVGNSLFASA-N -1 0 331.478 3.524 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)c1coc(/C=C/C(=O)[O-])c1)C1CC1 ZINC000901800520 956479871 /nfs/dbraw/zinc/47/98/71/956479871.db2.gz ZJUFZMVRQJRWOA-BLGFXRMMSA-N -1 0 325.364 3.567 20 0 EHADRM C[C@H](NC(=O)CC(C)(C)CC(F)(F)F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000902026335 956616757 /nfs/dbraw/zinc/61/67/57/956616757.db2.gz LRIDOTTYEFTUBW-GARJFASQSA-N -1 0 337.382 3.607 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)CCOc2ccc3ccccc3c2)cc1 ZINC001594688322 956727945 /nfs/dbraw/zinc/72/79/45/956727945.db2.gz YWZGNWHOEYIQEM-UHFFFAOYSA-N -1 0 349.386 3.623 20 0 EHADRM Cc1cc(C(=O)N2C[C@@H](CCC(=O)[O-])Cc3ccccc32)c(C)o1 ZINC000902831474 956822711 /nfs/dbraw/zinc/82/27/11/956822711.db2.gz ZILLXMCXXXFGJO-AWEZNQCLSA-N -1 0 327.380 3.580 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CC[C@](C)(CCc2ccccc2)C1 ZINC001589240973 956887353 /nfs/dbraw/zinc/88/73/53/956887353.db2.gz FABAFJSGUVGHIE-UZLBHIALSA-N -1 0 331.456 3.605 20 0 EHADRM O=C([O-])c1cccc(CSc2nncn2-c2cccc(Cl)c2)c1 ZINC000013035888 956913398 /nfs/dbraw/zinc/91/33/98/956913398.db2.gz JWQLQYVLFHAALT-UHFFFAOYSA-N -1 0 345.811 3.911 20 0 EHADRM CC[C@@H](C)c1ccccc1OS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000013067999 956923483 /nfs/dbraw/zinc/92/34/83/956923483.db2.gz VYBGLRDEJJQUAW-GFCCVEGCSA-N -1 0 334.393 3.666 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2ccc(F)cc2s1)c1ccc(F)cc1 ZINC001594716072 956927901 /nfs/dbraw/zinc/92/79/01/956927901.db2.gz JSIQBCRBQRNLJC-OAHLLOKOSA-N -1 0 347.342 3.735 20 0 EHADRM Cc1cccc(C)c1NC(=O)COc1cc(Cl)ccc1C(=O)[O-] ZINC000013085195 956935578 /nfs/dbraw/zinc/93/55/78/956935578.db2.gz MBYKSONHOSAEPS-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM CCc1cccc(OCC(=O)Nc2cc(C(=O)[O-])ccc2Cl)c1 ZINC000013167842 956948667 /nfs/dbraw/zinc/94/86/67/956948667.db2.gz RJQKZXNJZLKTEO-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM O=C([O-])C1(NC(=O)c2cc3c(s2)CCCCCC3)CCCCC1 ZINC000013168454 956950074 /nfs/dbraw/zinc/95/00/74/956950074.db2.gz CFGUQCQJXKHAPX-UHFFFAOYSA-N -1 0 335.469 3.924 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cc(F)c(F)c(F)c1F ZINC000013169617 956953391 /nfs/dbraw/zinc/95/33/91/956953391.db2.gz VDDGSMJSBCTGRR-UHFFFAOYSA-N -1 0 327.233 3.502 20 0 EHADRM COc1ccc(Cl)cc1C(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1 ZINC000013180440 956965674 /nfs/dbraw/zinc/96/56/74/956965674.db2.gz FBJPNTWAHKLGMW-OAHLLOKOSA-N -1 0 347.798 3.603 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)Cc1ccc2c(c1)CCC2 ZINC000013188254 956973440 /nfs/dbraw/zinc/97/34/40/956973440.db2.gz MUSDBTYJFZHXQL-UHFFFAOYSA-N -1 0 329.783 3.708 20 0 EHADRM Cc1cc(Cl)ccc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000013253304 956993605 /nfs/dbraw/zinc/99/36/05/956993605.db2.gz LHNXWBJXPYORQP-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM CC1=NN(c2ccc(C(=O)Nc3c(C)cccc3C(=O)[O-])cc2)CC1 ZINC001589256349 956995540 /nfs/dbraw/zinc/99/55/40/956995540.db2.gz FEALAHHSASWGBC-UHFFFAOYSA-N -1 0 337.379 3.532 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)c2cc3occc3s2)c2ccccc21 ZINC001594726146 957004072 /nfs/dbraw/zinc/00/40/72/957004072.db2.gz IOTMHZOCYQMLQC-NWDGAFQWSA-N -1 0 327.361 3.537 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2cc(F)cc(Cl)c2)c2ccccc21 ZINC001594726165 957005487 /nfs/dbraw/zinc/00/54/87/957005487.db2.gz JCMDEOAJYZCKLC-HUUCEWRRSA-N -1 0 333.746 3.522 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)c2ccc(-n3cccc3)cc2)c2ccccc21 ZINC001594726223 957005955 /nfs/dbraw/zinc/00/59/55/957005955.db2.gz KIXLJBLTOZBZBZ-RBUKOAKNSA-N -1 0 346.386 3.520 20 0 EHADRM O=C([O-])c1ccc(NC(=O)COc2ccc(Cl)c(Cl)c2)cc1 ZINC000013318084 957024270 /nfs/dbraw/zinc/02/42/70/957024270.db2.gz HVZDGBRYWFZILI-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM C[C@@H](C(=O)N1CCCC[C@@H]1CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000909496690 957025067 /nfs/dbraw/zinc/02/50/67/957025067.db2.gz IQQKJBWTZQVXLT-BXUZGUMPSA-N -1 0 343.345 3.665 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)CCSc1ccc(F)cc1 ZINC000013390811 957046735 /nfs/dbraw/zinc/04/67/35/957046735.db2.gz ZRCZWNRYWHSTCC-UHFFFAOYSA-N -1 0 333.384 3.953 20 0 EHADRM O=C([O-])c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000013412252 957053978 /nfs/dbraw/zinc/05/39/78/957053978.db2.gz AGJODBLCHGUKLX-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)c2cccc(Cl)c2Cl)cc1 ZINC000013442643 957082844 /nfs/dbraw/zinc/08/28/44/957082844.db2.gz FXRCZNKPMXNXBI-UHFFFAOYSA-N -1 0 338.190 3.664 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2cccc(COC(C)C)c2)C1 ZINC000925981582 957136837 /nfs/dbraw/zinc/13/68/37/957136837.db2.gz CZNITQAUGZRKIX-LJQANCHMSA-N -1 0 348.443 3.720 20 0 EHADRM CCCCOc1ccc(-c2csc(NC(=O)CCC(=O)[O-])n2)cc1 ZINC000031965908 957170346 /nfs/dbraw/zinc/17/03/46/957170346.db2.gz UHQZRFTYUNJAPD-UHFFFAOYSA-N -1 0 348.424 3.792 20 0 EHADRM CC(C)(COCc1ccccc1)NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000389944034 972256704 /nfs/dbraw/zinc/25/67/04/972256704.db2.gz KHSPZCIONYVEHA-UHFFFAOYSA-N -1 0 347.455 3.523 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3)s2)C1 ZINC001319464340 957302720 /nfs/dbraw/zinc/30/27/20/957302720.db2.gz NMOCHVVCXCUHDL-ZDUSSCGKSA-N -1 0 329.421 3.742 20 0 EHADRM O=C([O-])CCCC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC001326433402 957321723 /nfs/dbraw/zinc/32/17/23/957321723.db2.gz BUICMDNHCIKVOS-UHFFFAOYSA-N -1 0 341.411 3.723 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc(-c3ccccc3)s2)C1 ZINC001327827067 957349813 /nfs/dbraw/zinc/34/98/13/957349813.db2.gz YQUJJXYGWXWQBU-JSGCOSHPSA-N -1 0 329.421 3.598 20 0 EHADRM Cc1sc(NC(=O)CCOc2cccc(C)c2)c(C(=O)[O-])c1C ZINC000390170729 972268274 /nfs/dbraw/zinc/26/82/74/972268274.db2.gz PWJJBVSJSKBXJF-UHFFFAOYSA-N -1 0 333.409 3.779 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl ZINC001603167102 972265193 /nfs/dbraw/zinc/26/51/93/972265193.db2.gz XYYXOCIFQODIJY-BXKDBHETSA-N -1 0 332.227 3.570 20 0 EHADRM Cn1cc(CC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c2ccccc21 ZINC000049750517 957480839 /nfs/dbraw/zinc/48/08/39/957480839.db2.gz IVVYKLPGPUMXSG-UHFFFAOYSA-N -1 0 342.782 3.711 20 0 EHADRM C[C@@H](CNC(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)[O-] ZINC001603175240 972274645 /nfs/dbraw/zinc/27/46/45/972274645.db2.gz MQNXSZYJPRUMEQ-NHYWBVRUSA-N -1 0 338.835 3.591 20 0 EHADRM CCN(C(=O)[C@H](C)Sc1ccc(Cl)cc1)C(C)(C)C(=O)[O-] ZINC000061149453 957574809 /nfs/dbraw/zinc/57/48/09/957574809.db2.gz NGSIHFZQPWBTFB-JTQLQIEISA-N -1 0 329.849 3.532 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(Br)cc1Cl ZINC000061834211 957588192 /nfs/dbraw/zinc/58/81/92/957588192.db2.gz QGZOHACTWSQCIL-ZETCQYMHSA-N -1 0 334.597 3.542 20 0 EHADRM CC(C)(C)OC(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000069550078 957651251 /nfs/dbraw/zinc/65/12/51/957651251.db2.gz GBKJFECNCPZQCM-AWEZNQCLSA-N -1 0 334.199 3.818 20 0 EHADRM Cc1cc(NC(=O)CCCOc2cccc(C)c2)sc1C(=O)[O-] ZINC000390407134 972282356 /nfs/dbraw/zinc/28/23/56/972282356.db2.gz JWUCWZJJPAGJMD-UHFFFAOYSA-N -1 0 333.409 3.861 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2)cc1Br ZINC000070140328 957661450 /nfs/dbraw/zinc/66/14/50/957661450.db2.gz FLNHFQPPTSUUTP-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)Nc2ccc(Cl)c(F)c2)cc1 ZINC000390680605 972298663 /nfs/dbraw/zinc/29/86/63/972298663.db2.gz VTEOVINNMQOJNI-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)cc1 ZINC001574801322 957836778 /nfs/dbraw/zinc/83/67/78/957836778.db2.gz XTSYRFRGBQKCBF-VXGBXAGGSA-N -1 0 335.812 3.520 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cc3c(ccnc3Cl)o2)cc1 ZINC001574802290 957839084 /nfs/dbraw/zinc/83/90/84/957839084.db2.gz AQEWGBMACRFRFE-UHFFFAOYSA-N -1 0 331.711 3.536 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)c1ccc2scnc2c1 ZINC001574804976 957852067 /nfs/dbraw/zinc/85/20/67/957852067.db2.gz MXEQIUQOMCRZIK-UHFFFAOYSA-N -1 0 338.388 3.588 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCC[C@@H]2Cc2cc(F)ccc2F)c1 ZINC001574807544 957861727 /nfs/dbraw/zinc/86/17/27/957861727.db2.gz MGGBKZAKYPNFLO-MRXNPFEDSA-N -1 0 345.345 3.510 20 0 EHADRM CC[C@H](NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1F ZINC001339733623 957873724 /nfs/dbraw/zinc/87/37/24/957873724.db2.gz QNASBRAOWJDQQK-BBRMVZONSA-N -1 0 336.407 3.563 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC001341354083 957982358 /nfs/dbraw/zinc/98/23/58/957982358.db2.gz PSDKPRSYEWPUJQ-NILFDRSVSA-N -1 0 344.436 3.730 20 0 EHADRM Cc1cc(F)ncc1C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001594310247 958002694 /nfs/dbraw/zinc/00/26/94/958002694.db2.gz JBZHOODYQSNBNS-MRVPVSSYSA-N -1 0 348.399 3.666 20 0 EHADRM CC[C@@H](CNC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)[O-] ZINC000087483420 958013895 /nfs/dbraw/zinc/01/38/95/958013895.db2.gz UQPQWVSSRCKAEJ-ZETCQYMHSA-N -1 0 329.780 3.534 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000391050961 972314151 /nfs/dbraw/zinc/31/41/51/972314151.db2.gz KAAXYVROCMHDFZ-LLVKDONJSA-N -1 0 347.358 3.768 20 0 EHADRM Cc1cc(NC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cc(C(F)(F)F)c1 ZINC001594317628 958085340 /nfs/dbraw/zinc/08/53/40/958085340.db2.gz MPQWNCMNLNGSPI-MFKMUULPSA-N -1 0 344.333 3.588 20 0 EHADRM COc1cc(Cl)ccc1NC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001594060071 958086909 /nfs/dbraw/zinc/08/69/09/958086909.db2.gz BIEBMWKYQYSJMC-LBPRGKRZSA-N -1 0 340.807 3.600 20 0 EHADRM Cc1cc(NC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc(C(F)(F)F)c1 ZINC001594317759 958088218 /nfs/dbraw/zinc/08/82/18/958088218.db2.gz BUJFXOAIVDFMJU-QWRGUYRKSA-N -1 0 344.333 3.588 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)/C=C\c2ccccc2Cl)cc1F ZINC000391208838 972324188 /nfs/dbraw/zinc/32/41/88/972324188.db2.gz IKTQHHRFZREJTP-WAYWQWQTSA-N -1 0 337.709 3.968 20 0 EHADRM CC(C)(C)c1cc(C(=O)Nc2cccc(C(=O)[O-])c2)cc(Cl)n1 ZINC000391219549 972324513 /nfs/dbraw/zinc/32/45/13/972324513.db2.gz YHRAQWWFQOQZKG-UHFFFAOYSA-N -1 0 332.787 3.983 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)N2CCCC[C@H]2CC(=O)[O-])ccc1C(C)C ZINC001594327244 958184938 /nfs/dbraw/zinc/18/49/38/958184938.db2.gz UIWQCJJCJLFVLM-CVEARBPZSA-N -1 0 347.455 3.742 20 0 EHADRM COc1ccc(-n2c3ccccc3nc2S[C@H](C)C(=O)[O-])cc1 ZINC001594074735 958206714 /nfs/dbraw/zinc/20/67/14/958206714.db2.gz UIGNPMBFTBWEFT-LLVKDONJSA-N -1 0 328.393 3.599 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(c1cc(Cl)ccc1[N+](=O)[O-])CC2 ZINC000391329728 972328962 /nfs/dbraw/zinc/32/89/62/972328962.db2.gz SGSZWLCFQVZXAY-UHFFFAOYSA-N -1 0 332.743 3.509 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001594331330 958223903 /nfs/dbraw/zinc/22/39/03/958223903.db2.gz ZIIUTFZZXHYPCO-VSKVDJIOSA-N -1 0 343.379 3.722 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001594331327 958224380 /nfs/dbraw/zinc/22/43/80/958224380.db2.gz ZIIUTFZZXHYPCO-BRLPQQTGSA-N -1 0 343.379 3.722 20 0 EHADRM Cc1cc2cc[nH]c2cc1NC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001594332263 958236828 /nfs/dbraw/zinc/23/68/28/958236828.db2.gz OFMSRDRMTVNQSJ-CYBMUJFWSA-N -1 0 329.400 3.585 20 0 EHADRM Cc1ccc(-c2cc(C(=O)Nc3ccccc3CC(=O)[O-])n[nH]2)cc1C ZINC001594334533 958255307 /nfs/dbraw/zinc/25/53/07/958255307.db2.gz YJHMTOZZZKNXNU-UHFFFAOYSA-N -1 0 349.390 3.573 20 0 EHADRM Cc1ccc(-c2cncc(F)c2)cc1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001594335458 958260809 /nfs/dbraw/zinc/26/08/09/958260809.db2.gz BNVVCPZTDCRQIB-UONOGXRCSA-N -1 0 342.370 3.636 20 0 EHADRM Cc1ccc(Br)c(COC(=O)[C@H](C(=O)[O-])C(C)(C)C)c1 ZINC001594342147 958301368 /nfs/dbraw/zinc/30/13/68/958301368.db2.gz OGQRWFGMROORFV-LBPRGKRZSA-N -1 0 343.217 3.548 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ncccc2C(=O)[O-])c1 ZINC001594349095 958333775 /nfs/dbraw/zinc/33/37/75/958333775.db2.gz DNJJVQJLNQCPBC-ZDUSSCGKSA-N -1 0 342.395 3.618 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NCCc1ccc(Cl)cc1 ZINC000096713688 958339483 /nfs/dbraw/zinc/33/94/83/958339483.db2.gz PPAITVMSUTWPKN-UHFFFAOYSA-N -1 0 332.787 3.711 20 0 EHADRM Cc1ccc(CCCCC(=O)NCc2ccccc2C(=O)[O-])cc1 ZINC001594357304 958419045 /nfs/dbraw/zinc/41/90/45/958419045.db2.gz GYWSLHJDOCEXCA-UHFFFAOYSA-N -1 0 325.408 3.722 20 0 EHADRM Cc1ccc(COc2cccc(NC(=O)[C@]3(C(=O)[O-])C[C@H]3C)c2)cc1 ZINC001594362827 958466961 /nfs/dbraw/zinc/46/69/61/958466961.db2.gz PBHBGZQKQNSBOF-VLIAUNLRSA-N -1 0 339.391 3.623 20 0 EHADRM CC[C@H](CSC)N(C)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000124311381 958525231 /nfs/dbraw/zinc/52/52/31/958525231.db2.gz YBCUAQVCNHXVME-GFCCVEGCSA-N -1 0 330.837 3.644 20 0 EHADRM C[C@@H](NC(=O)[C@]1(C(=O)[O-])C[C@H]1C)c1cccc(SC(F)(F)F)c1 ZINC001603233938 972359642 /nfs/dbraw/zinc/35/96/42/972359642.db2.gz DIMZOZSYBLTCNY-NUPCCRGMSA-N -1 0 347.358 3.587 20 0 EHADRM Cc1ccc(Oc2ccccc2CC(=O)N[C@@H](C(=O)[O-])C(C)C)cc1 ZINC001594376806 958594738 /nfs/dbraw/zinc/59/47/38/958594738.db2.gz CSDIYXIYISNXKJ-LJQANCHMSA-N -1 0 341.407 3.555 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN1Cc1ccc(Cl)cc1Br ZINC000126823677 958604676 /nfs/dbraw/zinc/60/46/76/958604676.db2.gz GKDVDNWGLAFZDT-ZDUSSCGKSA-N -1 0 332.625 3.542 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N[C@H](C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)cc2c1C ZINC001594381263 958624687 /nfs/dbraw/zinc/62/46/87/958624687.db2.gz FRNVLMIHVNOAQA-VHDGCEQUSA-N -1 0 342.439 3.650 20 0 EHADRM Cc1ccc2cccc(C(=O)N[C@@H]3C[C@@H](C(=O)[O-])c4ccccc43)c2n1 ZINC001594382580 958647197 /nfs/dbraw/zinc/64/71/97/958647197.db2.gz FSYHIFKLBOKLJC-QZTJIDSGSA-N -1 0 346.386 3.586 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001573374364 958648143 /nfs/dbraw/zinc/64/81/43/958648143.db2.gz IFEQWKWBXPKMEN-IMTBSYHQSA-N -1 0 344.207 3.573 20 0 EHADRM Cc1ccc2ncc(CN3Cc4ccccc4[C@@H](C(=O)[O-])C3)cc2c1 ZINC001594385519 958658856 /nfs/dbraw/zinc/65/88/56/958658856.db2.gz VXEAHQUBIGVQRI-IBGZPJMESA-N -1 0 332.403 3.727 20 0 EHADRM COc1cccc(NC(=O)[C@H](S[C@@H](C)C(=O)[O-])c2ccccc2)c1 ZINC001594131221 958670905 /nfs/dbraw/zinc/67/09/05/958670905.db2.gz SSGYEELEWQSFKU-BLLLJJGKSA-N -1 0 345.420 3.581 20 0 EHADRM COc1cccc(NCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)c1C ZINC001594131559 958677748 /nfs/dbraw/zinc/67/77/48/958677748.db2.gz BXLOGRNPZUPBTH-CQSZACIVSA-N -1 0 344.411 3.510 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc(F)c(Cl)cc1Cl)c1cccs1 ZINC000129662434 958715228 /nfs/dbraw/zinc/71/52/28/958715228.db2.gz QVAKSUIXYRCEIX-LLVKDONJSA-N -1 0 348.182 3.750 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)CCc1cncc2ccccc21)C(=O)[O-] ZINC001573395806 958716606 /nfs/dbraw/zinc/71/66/06/958716606.db2.gz PLYKUBQJRBBXNC-QGZVFWFLSA-N -1 0 342.439 3.563 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)c1cc(F)c(Cl)cc1Cl ZINC001573406502 958731047 /nfs/dbraw/zinc/73/10/47/958731047.db2.gz XQCYGNTXDYDOQO-UHFFFAOYSA-N -1 0 336.190 3.705 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1cc(Cl)ccc1Br ZINC000131424803 958750253 /nfs/dbraw/zinc/75/02/53/958750253.db2.gz PVAGENOUZLGNOR-ZETCQYMHSA-N -1 0 334.597 3.542 20 0 EHADRM Cc1cccc([C@H](NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)C(=O)[O-])c1 ZINC001594394569 958758823 /nfs/dbraw/zinc/75/88/23/958758823.db2.gz XDWUZTWHUQWSDX-RDBSUJKOSA-N -1 0 343.345 3.606 20 0 EHADRM Cc1ccc2c(CC(=O)N[C@H](C(=O)[O-])c3cccc(C)c3)coc2c1 ZINC001594397408 958780778 /nfs/dbraw/zinc/78/07/78/958780778.db2.gz KSJHTZZTDVMIBG-IBGZPJMESA-N -1 0 337.375 3.534 20 0 EHADRM CCN(CC(C)C)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000132495313 958785973 /nfs/dbraw/zinc/78/59/73/958785973.db2.gz QUJSKSSKUSAEPH-UHFFFAOYSA-N -1 0 343.221 3.657 20 0 EHADRM CC[C@@H](C)N(CC)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000132495549 958786137 /nfs/dbraw/zinc/78/61/37/958786137.db2.gz CCQJWDGAMZRSNG-SECBINFHSA-N -1 0 343.221 3.800 20 0 EHADRM CCc1cc(Br)ccc1NC(=O)c1ccc(C(=O)[O-])o1 ZINC000132839209 958804132 /nfs/dbraw/zinc/80/41/32/958804132.db2.gz RXZMCQUCGSFRLW-UHFFFAOYSA-N -1 0 338.157 3.555 20 0 EHADRM Cc1cccc(C)c1CN(CC(C)C)C(=O)C1(C(=O)[O-])CC=CC1 ZINC001594400657 958852788 /nfs/dbraw/zinc/85/27/88/958852788.db2.gz LGATXQWBEDSUNL-UHFFFAOYSA-N -1 0 329.440 3.709 20 0 EHADRM CC(C)(C)O[C@@H](C(=O)NCc1ccccc1C(=O)[O-])c1ccccc1 ZINC001573457673 958909802 /nfs/dbraw/zinc/90/98/02/958909802.db2.gz JAJWENFIOXJYIC-QGZVFWFLSA-N -1 0 341.407 3.557 20 0 EHADRM Cc1cccc2c(C(=O)N3CCc4ccccc4[C@H]3C(=O)[O-])coc21 ZINC001594411211 958948982 /nfs/dbraw/zinc/94/89/82/958948982.db2.gz NFOGLGFUPHXOAN-KRWDZBQOSA-N -1 0 335.359 3.565 20 0 EHADRM Cc1cccc2c(CCNC(=O)Nc3ccccc3C(=O)[O-])c[nH]c21 ZINC001594411245 958951470 /nfs/dbraw/zinc/95/14/70/958951470.db2.gz RQWCEWOJHSFCFS-UHFFFAOYSA-N -1 0 337.379 3.539 20 0 EHADRM Cc1cccc2c(C(=O)N3Cc4ccccc4[C@H](C(=O)[O-])C3)coc21 ZINC001594411583 958955388 /nfs/dbraw/zinc/95/53/88/958955388.db2.gz ZCUYNHFBKWFFGM-MRXNPFEDSA-N -1 0 335.359 3.565 20 0 EHADRM Cc1cccc2cc(C(=O)N3C[C@H](C(=O)[O-])CC[C@@H]3C)c(Cl)nc12 ZINC001594412373 958956876 /nfs/dbraw/zinc/95/68/76/958956876.db2.gz CZUVVMPHPDOQIJ-WCQYABFASA-N -1 0 346.814 3.522 20 0 EHADRM O=C([O-])CC1(CC(=O)NCc2cccc3ccccc32)CCCC1 ZINC000392020442 972401354 /nfs/dbraw/zinc/40/13/54/972401354.db2.gz XDJGCZJNXSFQEW-UHFFFAOYSA-N -1 0 325.408 3.881 20 0 EHADRM O=C([O-])c1nn(-c2ccccc2)cc1OCCSc1ccccc1 ZINC000392031286 972402277 /nfs/dbraw/zinc/40/22/77/972402277.db2.gz HSHZVKZXYRNKHP-UHFFFAOYSA-N -1 0 340.404 3.742 20 0 EHADRM CSc1cc(NC(=O)N([C@H](C)C(=O)[O-])C2CC2)ccc1Cl ZINC001594190417 959170058 /nfs/dbraw/zinc/17/00/58/959170058.db2.gz ZHWYHKGPUOMQIB-MRVPVSSYSA-N -1 0 328.821 3.531 20 0 EHADRM CC(C)C[C@H](NC(=O)CSc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001573536971 959177959 /nfs/dbraw/zinc/17/79/59/959177959.db2.gz JLVGXKDTKJMFSD-HNNXBMFYSA-N -1 0 337.485 3.692 20 0 EHADRM CC(C)Cc1ccccc1CNC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001573544249 959201051 /nfs/dbraw/zinc/20/10/51/959201051.db2.gz WPJJHGPSTPDQNH-FPLPWBNLSA-N -1 0 327.380 3.506 20 0 EHADRM CSc1ccccc1[C@@H](C)NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001594197918 959213911 /nfs/dbraw/zinc/21/39/11/959213911.db2.gz LLCCKFKAWFRVNA-RJCSOLBVSA-N -1 0 331.393 3.590 20 0 EHADRM C[C@@H](NC(=O)Nc1ccccc1CC(=O)[O-])c1ccc2c(c1)CCC2 ZINC001594203600 959259922 /nfs/dbraw/zinc/25/99/22/959259922.db2.gz BTHBYPUCZXDCOF-CYBMUJFWSA-N -1 0 338.407 3.685 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)O[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC001588583478 959278927 /nfs/dbraw/zinc/27/89/27/959278927.db2.gz BLQXVNLBISXNCU-MUWHJKNJSA-N -1 0 344.207 3.573 20 0 EHADRM C[C@@H](OC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(OC(F)(F)F)cc1 ZINC001594210528 959286431 /nfs/dbraw/zinc/28/64/31/959286431.db2.gz VPJPHQHVRVQTLA-JLLWLGSASA-N -1 0 346.301 3.690 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)C3(C(=O)[O-])CCCCC3)cc2)[nH]c1C ZINC001594444454 959317584 /nfs/dbraw/zinc/31/75/84/959317584.db2.gz YGULXKCOGIHONX-UHFFFAOYSA-N -1 0 341.411 3.667 20 0 EHADRM O=C([O-])c1ncccc1OCc1ccc(Br)cc1Cl ZINC000168029259 959370576 /nfs/dbraw/zinc/37/05/76/959370576.db2.gz WSMKPSUEAANMHO-UHFFFAOYSA-N -1 0 342.576 3.775 20 0 EHADRM Cc1nc(C2CCCC2)sc1C(=O)NCc1ccccc1C(=O)[O-] ZINC001594451856 959380932 /nfs/dbraw/zinc/38/09/32/959380932.db2.gz OXGDQCAOVDHBQL-UHFFFAOYSA-N -1 0 344.436 3.737 20 0 EHADRM Cc1nc(C2CCC2)sc1CC(=O)Nc1sccc1C(=O)[O-] ZINC001594451841 959380991 /nfs/dbraw/zinc/38/09/91/959380991.db2.gz NTCONHCAUGNUEG-UHFFFAOYSA-N -1 0 336.438 3.660 20 0 EHADRM C[C@@](CNC(=O)C1(C2CCCCC2)CC1)(C(=O)[O-])c1ccccc1 ZINC001573592129 959404342 /nfs/dbraw/zinc/40/43/42/959404342.db2.gz SIUKMBSPWLIQBO-IBGZPJMESA-N -1 0 329.440 3.506 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000177482276 959422127 /nfs/dbraw/zinc/42/21/27/959422127.db2.gz XBMVNCJIAWRKBU-CYBMUJFWSA-N -1 0 335.281 3.534 20 0 EHADRM COc1sc(/C=C/c2ncc(C(=O)[O-])s2)cc1Br ZINC000178982484 959431422 /nfs/dbraw/zinc/43/14/22/959431422.db2.gz HCMLAVJPQROBNU-NSCUHMNNSA-N -1 0 346.227 3.844 20 0 EHADRM C[C@H](NC(=O)c1cc(C(=O)[O-])co1)c1ccc(Cl)c(Cl)c1 ZINC000183752537 959445966 /nfs/dbraw/zinc/44/59/66/959445966.db2.gz IZNDRXMMXWYRND-ZETCQYMHSA-N -1 0 328.151 3.776 20 0 EHADRM O=C([O-])c1coc(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)c1 ZINC000183800815 959450901 /nfs/dbraw/zinc/45/09/01/959450901.db2.gz QHLMZTYHWYJABT-UHFFFAOYSA-N -1 0 333.315 3.691 20 0 EHADRM Cc1nc2cc(NC(=O)C3(C(=O)[O-])C(C)(C)C3(C)C)ccc2s1 ZINC001594463330 959477453 /nfs/dbraw/zinc/47/74/53/959477453.db2.gz UVJBUSAECCSWHY-UHFFFAOYSA-N -1 0 332.425 3.680 20 0 EHADRM CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)NCCCCCC(=O)[O-] ZINC000190878716 959526118 /nfs/dbraw/zinc/52/61/18/959526118.db2.gz JDLPSWAUNWUITL-INIZCTEOSA-N -1 0 341.835 3.505 20 0 EHADRM Cc1c(C(=O)Nc2cc(C(=O)[O-])ccc2C)cnn1C1CCCC1 ZINC000190872363 959526494 /nfs/dbraw/zinc/52/64/94/959526494.db2.gz VVDIHRLYZXTGIA-UHFFFAOYSA-N -1 0 327.384 3.566 20 0 EHADRM CC[C@@H]1CN(C(=O)CC(C)(C)CC(=O)[O-])CC[C@H]1c1ccccc1 ZINC000191139095 959542071 /nfs/dbraw/zinc/54/20/71/959542071.db2.gz BETJQDIZRDNDOP-NVXWUHKLSA-N -1 0 331.456 3.920 20 0 EHADRM CCc1oc2ccccc2c1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000191206467 959545115 /nfs/dbraw/zinc/54/51/15/959545115.db2.gz DJUCHDAHHSZEQR-CYBMUJFWSA-N -1 0 329.396 3.712 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)C(F)(F)c2ccccc2)cc1)C(=O)[O-] ZINC000191387613 959557397 /nfs/dbraw/zinc/55/73/97/959557397.db2.gz SBHHBCVRSCEFSU-LBPRGKRZSA-N -1 0 333.334 3.680 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)C(C)(C)c2cccs2)cc1)C(=O)[O-] ZINC000191397031 959558296 /nfs/dbraw/zinc/55/82/96/959558296.db2.gz AQAULLIFLIMDFB-LBPRGKRZSA-N -1 0 331.437 3.928 20 0 EHADRM CCCC(O)(CCC)CC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000191397537 959558921 /nfs/dbraw/zinc/55/89/21/959558921.db2.gz RDKZIBCAVHDTKV-AWEZNQCLSA-N -1 0 335.444 3.610 20 0 EHADRM CCCC(O)(CCC)CC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000191397523 959559082 /nfs/dbraw/zinc/55/90/82/959559082.db2.gz RDKZIBCAVHDTKV-CQSZACIVSA-N -1 0 335.444 3.610 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2cccc3ncccc32)cc1)C(=O)[O-] ZINC000191412144 959562600 /nfs/dbraw/zinc/56/26/00/959562600.db2.gz QQIWBEYHKBSLQD-CYBMUJFWSA-N -1 0 334.375 3.750 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)CCCOc2ccccc2)cc1)C(=O)[O-] ZINC000191438601 959568113 /nfs/dbraw/zinc/56/81/13/959568113.db2.gz DFEYKAZDJDBCOK-OAHLLOKOSA-N -1 0 341.407 3.748 20 0 EHADRM Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000191448091 959569696 /nfs/dbraw/zinc/56/96/96/959569696.db2.gz LPAOGNSHQKLAQC-NEPJUHHUSA-N -1 0 344.411 3.687 20 0 EHADRM Cc1ccc(C)c(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000191536026 959579523 /nfs/dbraw/zinc/57/95/23/959579523.db2.gz KKUIZQOQRHCFIB-KRWDZBQOSA-N -1 0 325.408 3.509 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)c3ccc(C(=O)[O-])o3)cn2)cc1 ZINC000191570341 959582644 /nfs/dbraw/zinc/58/26/44/959582644.db2.gz WVGTVLYBAMHDBI-UHFFFAOYSA-N -1 0 338.319 3.726 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)C[C@H]2CCCCO2)cc1 ZINC000192865984 959592786 /nfs/dbraw/zinc/59/27/86/959592786.db2.gz DSLDWFWSNCGVCO-SJORKVTESA-N -1 0 347.455 3.575 20 0 EHADRM Cc1[nH]c2ccccc2c1C1CCN(C(=O)[C@H](C(=O)[O-])C(C)C)CC1 ZINC001594249759 959601325 /nfs/dbraw/zinc/60/13/25/959601325.db2.gz HEPIQDLTZZIKFQ-QGZVFWFLSA-N -1 0 342.439 3.539 20 0 EHADRM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N(CC(=O)[O-])CC(C)(C)C ZINC001573641309 959612562 /nfs/dbraw/zinc/61/25/62/959612562.db2.gz RUYVINVOLWBOID-AWEZNQCLSA-N -1 0 349.471 3.711 20 0 EHADRM COc1ccc(/C=C\c2ncc(C(=O)[O-])s2)cc1Br ZINC000206733729 959662977 /nfs/dbraw/zinc/66/29/77/959662977.db2.gz PFBCVUFAKCBHOV-HYXAFXHYSA-N -1 0 340.198 3.783 20 0 EHADRM CC1(C)C[C@@H](NC(=O)NCc2ccccc2C(=O)[O-])c2ccccc21 ZINC001573665175 959688891 /nfs/dbraw/zinc/68/88/91/959688891.db2.gz SBPJFWRMUAESIB-QGZVFWFLSA-N -1 0 338.407 3.607 20 0 EHADRM Cc1c2occ(CC(=O)N3CCC[C@H](C)[C@@H]3C(=O)[O-])c2ccc1Cl ZINC001594262247 959704795 /nfs/dbraw/zinc/70/47/95/959704795.db2.gz AKHQDIOBRCFZIH-MGPLVRAMSA-N -1 0 349.814 3.649 20 0 EHADRM CC1(C)CN(C(=O)NCc2ccccc2C(=O)[O-])[C@@H]1c1ccccc1 ZINC001573676409 959728551 /nfs/dbraw/zinc/72/85/51/959728551.db2.gz XMFMSSQQDFIWNF-QGZVFWFLSA-N -1 0 338.407 3.678 20 0 EHADRM CC(C)(C)CCN(CCc1ccccc1)C(=O)[C@@H](C(=O)[O-])C1CC1 ZINC001588651790 959774889 /nfs/dbraw/zinc/77/48/89/959774889.db2.gz STCMZBIATNQURT-KRWDZBQOSA-N -1 0 331.456 3.605 20 0 EHADRM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001573701626 959836356 /nfs/dbraw/zinc/83/63/56/959836356.db2.gz QDIASJMPRFKYFT-KATARQTJSA-N -1 0 340.782 3.591 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2coc(/C=C\C(=O)[O-])c2)C1 ZINC001573701796 959838167 /nfs/dbraw/zinc/83/81/67/959838167.db2.gz SAKADAXBDSPJFD-WUXGLAHWSA-N -1 0 325.364 3.601 20 0 EHADRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NCCc1ccsc1 ZINC000226872770 959907248 /nfs/dbraw/zinc/90/72/48/959907248.db2.gz RAVLAYWZYKCHPN-UHFFFAOYSA-N -1 0 326.761 3.663 20 0 EHADRM CSc1ccccc1NC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000392427670 972485025 /nfs/dbraw/zinc/48/50/25/972485025.db2.gz LLMQHUBCGIFTMK-UHFFFAOYSA-N -1 0 342.420 3.697 20 0 EHADRM COc1ccc(NC(=O)c2ccc3c(c2)CCCC3)c(C(=O)[O-])c1 ZINC000392445769 972486812 /nfs/dbraw/zinc/48/68/12/972486812.db2.gz BFOPGXPTPLGLIU-UHFFFAOYSA-N -1 0 325.364 3.525 20 0 EHADRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NCCSC(F)(F)F ZINC000231952904 960228998 /nfs/dbraw/zinc/22/89/98/960228998.db2.gz NFMIFWHWYIOMTQ-UHFFFAOYSA-N -1 0 344.698 3.611 20 0 EHADRM Cc1cc(NC(=O)c2ccc(C(=O)[O-])o2)cc(C)c1Br ZINC000232047990 960242127 /nfs/dbraw/zinc/24/21/27/960242127.db2.gz IFPXJJYIUWTGND-UHFFFAOYSA-N -1 0 338.157 3.609 20 0 EHADRM COc1ccc(Br)cc1NCc1cc(C(=O)[O-])c(C)o1 ZINC000234823285 960372063 /nfs/dbraw/zinc/37/20/63/960372063.db2.gz CFKWATNDJMUMFQ-UHFFFAOYSA-N -1 0 340.173 3.669 20 0 EHADRM C[C@H]1CCCN(C(=O)c2cc(C(F)(F)F)ccc2Cl)[C@@H]1C(=O)[O-] ZINC001573726899 960416765 /nfs/dbraw/zinc/41/67/65/960416765.db2.gz QGXWSXFVNWYPOR-UFBFGSQYSA-N -1 0 349.736 3.684 20 0 EHADRM C[C@H](NCc1cccc(C(=O)[O-])n1)c1ccc(Cl)cc1Cl ZINC000235518472 960450401 /nfs/dbraw/zinc/45/04/01/960450401.db2.gz PDIVSGCKMSBPHX-VIFPVBQESA-N -1 0 325.195 3.937 20 0 EHADRM Cc1sc(NC(=O)c2ccoc2Br)c(C(=O)[O-])c1C ZINC000235969876 960539445 /nfs/dbraw/zinc/53/94/45/960539445.db2.gz XAHPSSGUEWHCNL-UHFFFAOYSA-N -1 0 344.186 3.671 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000392701507 972512155 /nfs/dbraw/zinc/51/21/55/972512155.db2.gz GWOJKOBTROKTID-UHFFFAOYSA-N -1 0 341.411 3.572 20 0 EHADRM C[C@H]1Cc2ccccc2N1Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001573757016 960564244 /nfs/dbraw/zinc/56/42/44/960564244.db2.gz FOKXHYOWCGFPIM-GOEBONIOSA-N -1 0 340.423 3.532 20 0 EHADRM C[C@@H](NC(=O)[C@@H](C(=O)[O-])C1CCCC1)c1cc(Cl)ccc1F ZINC001574259982 960565018 /nfs/dbraw/zinc/56/50/18/960565018.db2.gz SNIIYVOHJDGSMX-OTYXRUKQSA-N -1 0 327.783 3.547 20 0 EHADRM C[C@@H](NC(=O)/C(=C/c1cccc(Cl)c1)c1cccs1)C(=O)[O-] ZINC001574259975 960565186 /nfs/dbraw/zinc/56/51/86/960565186.db2.gz SGECIYIBXRJFDD-QQMDNXKGSA-N -1 0 335.812 3.531 20 0 EHADRM COc1cc(NC(=O)N(C)[C@@H](C)Cc2cccs2)ccc1C(=O)[O-] ZINC000392726727 972514160 /nfs/dbraw/zinc/51/41/60/972514160.db2.gz QTMVKNNDWYQXLY-NSHDSACASA-N -1 0 348.424 3.550 20 0 EHADRM CCCCc1ccc(CC(=O)Nc2cc(OC)ccc2C(=O)[O-])cc1 ZINC000392730628 972514184 /nfs/dbraw/zinc/51/41/84/972514184.db2.gz LNRGERLJYPZECR-UHFFFAOYSA-N -1 0 341.407 3.917 20 0 EHADRM C[C@@H](OC(=O)C1(C(=O)[O-])CCSCC1)c1cccc(Cl)c1F ZINC001574266324 960583042 /nfs/dbraw/zinc/58/30/42/960583042.db2.gz KQFRSLOHJXPNGI-SECBINFHSA-N -1 0 346.807 3.681 20 0 EHADRM O=C([O-])CCc1csc(Nc2c3nsnc3ccc2Cl)n1 ZINC000236432142 960590097 /nfs/dbraw/zinc/59/00/97/960590097.db2.gz IMRCQCNLEXLKSS-UHFFFAOYSA-N -1 0 340.817 3.562 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1csc(-c2ccco2)n1 ZINC001255616568 960655023 /nfs/dbraw/zinc/65/50/23/960655023.db2.gz IWGQNZBUIJPLHM-UHFFFAOYSA-N -1 0 342.376 3.970 20 0 EHADRM C[C@H](OC(=O)COCC(=O)[O-])c1ccc(Sc2ccccc2)cc1 ZINC001574289443 960675281 /nfs/dbraw/zinc/67/52/81/960675281.db2.gz OXUKVMLKXRNCRS-ZDUSSCGKSA-N -1 0 346.404 3.543 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)NCc1sc(-c2ccccc2)nc1C ZINC001573777793 960706405 /nfs/dbraw/zinc/70/64/05/960706405.db2.gz GHDOENOYSYJAMO-UHFFFAOYSA-N -1 0 346.452 3.626 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)NCc1csc2ccccc12 ZINC001605808652 972527446 /nfs/dbraw/zinc/52/74/46/972527446.db2.gz VJXYXXXVOKUDRS-UHFFFAOYSA-N -1 0 340.404 3.599 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Oc1ccc(C)cc1Br ZINC001573784609 960731158 /nfs/dbraw/zinc/73/11/58/960731158.db2.gz HIJXWEHUZVSTKO-UHFFFAOYSA-N -1 0 329.190 3.554 20 0 EHADRM Cc1cc2occ(CC(=O)N[C@H]3CCC[C@@H]3C(=O)[O-])c2cc1C(C)C ZINC000236701391 960735469 /nfs/dbraw/zinc/73/54/69/960735469.db2.gz MMFAVOAVFJYFEJ-YOEHRIQHSA-N -1 0 343.423 3.777 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2C[C@@H]2C2CC2)cc1 ZINC000236704059 960736071 /nfs/dbraw/zinc/73/60/71/960736071.db2.gz OMVHOFRMHJUAFJ-ZACQAIPSSA-N -1 0 329.440 3.662 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)OCc1cc(F)cc(Br)c1 ZINC001573785700 960736078 /nfs/dbraw/zinc/73/60/78/960736078.db2.gz XEUIHRGQKGWWFF-UHFFFAOYSA-N -1 0 347.180 3.522 20 0 EHADRM CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(OCC(=O)[O-])cc2C)C1(C)C ZINC000236749411 960751941 /nfs/dbraw/zinc/75/19/41/960751941.db2.gz CGTDPSZJEAWBLJ-YOEHRIQHSA-N -1 0 331.412 3.635 20 0 EHADRM C[C@@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1nc(C(C)(C)C)cs1 ZINC001261844052 960771971 /nfs/dbraw/zinc/77/19/71/960771971.db2.gz ZVJKJIAMFQMHDM-BJPMOSCESA-N -1 0 348.424 3.622 20 0 EHADRM CCCCc1ccc(CC(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000236897470 960792255 /nfs/dbraw/zinc/79/22/55/960792255.db2.gz VVKGEHFIFLUQDU-MRXNPFEDSA-N -1 0 345.464 3.965 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2ccc3nc(N(C)C)ccc3c2)c1 ZINC001574318083 960800484 /nfs/dbraw/zinc/80/04/84/960800484.db2.gz KHFCMQYRHKUXDX-UHFFFAOYSA-N -1 0 349.390 3.560 20 0 EHADRM CCC[C@@](C)(NC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000236961111 960813349 /nfs/dbraw/zinc/81/33/49/960813349.db2.gz SMNLJEDCWWCKSQ-RFAUZJTJSA-N -1 0 348.226 3.520 20 0 EHADRM CC[C@H](CNC(=O)N(Cc1ccc2ccccc2c1)C1CC1)C(=O)[O-] ZINC001573800392 960820105 /nfs/dbraw/zinc/82/01/05/960820105.db2.gz SEPRIXXMXCJSES-OAHLLOKOSA-N -1 0 340.423 3.625 20 0 EHADRM CCC[C@H](NC(=O)c1cc(SC)c(Cl)cc1Cl)C(=O)[O-] ZINC000237010411 960835838 /nfs/dbraw/zinc/83/58/38/960835838.db2.gz ONDSIAHGCJBTOR-JTQLQIEISA-N -1 0 336.240 3.698 20 0 EHADRM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])o1 ZINC000237028749 960842564 /nfs/dbraw/zinc/84/25/64/960842564.db2.gz VLMCVMRYYSDSBC-GJZGRUSLSA-N -1 0 327.380 3.776 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)C[C@H](C)c1ccccc1C(F)(F)F ZINC000237038318 960848978 /nfs/dbraw/zinc/84/89/78/960848978.db2.gz AHAUNQUEBRPXSH-NWDGAFQWSA-N -1 0 345.361 3.911 20 0 EHADRM Cc1cc(C)cc(CN(C)C(=O)NC[C@H](CC(=O)[O-])CC(C)C)c1 ZINC001574325836 960849200 /nfs/dbraw/zinc/84/92/00/960849200.db2.gz VGOPWHPOZFIEPQ-INIZCTEOSA-N -1 0 334.460 3.582 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001573809064 960867914 /nfs/dbraw/zinc/86/79/14/960867914.db2.gz IVRNFUFZJZBKGL-FXAWDEMLSA-N -1 0 329.440 3.586 20 0 EHADRM COc1ccc(C(=O)N(CC(=O)[O-])CC(C)C)cc1-c1ccccc1 ZINC000237165503 960881296 /nfs/dbraw/zinc/88/12/96/960881296.db2.gz SZLLOHKYHPNUEP-UHFFFAOYSA-N -1 0 341.407 3.545 20 0 EHADRM CCc1ccc(CNC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])s1 ZINC000237175169 960884090 /nfs/dbraw/zinc/88/40/90/960884090.db2.gz CAPPEXFCLGWLSL-NSHDSACASA-N -1 0 349.477 3.806 20 0 EHADRM CSc1ccc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])cc1 ZINC000237307006 960906393 /nfs/dbraw/zinc/90/63/93/960906393.db2.gz LNCDOGQLNHHBLB-AWEZNQCLSA-N -1 0 343.448 3.772 20 0 EHADRM CSc1cc(C(=O)N[C@H]2CCC[C@@H]2C(=O)[O-])c(Cl)cc1Cl ZINC000237299054 960907585 /nfs/dbraw/zinc/90/75/85/960907585.db2.gz VVGWBVSHQPSCCO-CPCISQLKSA-N -1 0 348.251 3.698 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)[C@H]1C[C@@H]1c1ccccc1)C(=O)[O-] ZINC000237487388 960943053 /nfs/dbraw/zinc/94/30/53/960943053.db2.gz UNUBWJAINYJCAG-IPELMVKDSA-N -1 0 337.419 3.540 20 0 EHADRM Cc1ccc(-c2cc(C(=O)Nc3ccc(C(=O)[O-])c(C)c3)n[nH]2)cc1 ZINC001574348552 960978679 /nfs/dbraw/zinc/97/86/79/960978679.db2.gz ZQJFDZALGMVHCS-UHFFFAOYSA-N -1 0 335.363 3.644 20 0 EHADRM Cc1ccc(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c2c1CCC2 ZINC001574351455 960993883 /nfs/dbraw/zinc/99/38/83/960993883.db2.gz ZVUCAUMUYNREAS-OALUTQOASA-N -1 0 335.403 3.527 20 0 EHADRM CC[C@@H]1CCc2c(sc(NC(=O)c3cccnc3)c2C(=O)[O-])C1 ZINC001573829606 961003569 /nfs/dbraw/zinc/00/35/69/961003569.db2.gz CFEGNSWWJWKNAV-SNVBAGLBSA-N -1 0 330.409 3.609 20 0 EHADRM CCc1oc2ccccc2c1C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC001321954696 961006753 /nfs/dbraw/zinc/00/67/53/961006753.db2.gz ZHCRHQTWVZTNPD-ORAYPTAESA-N -1 0 329.396 3.759 20 0 EHADRM Cc1[nH]c2ccc(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)cc2c1C ZINC000237738450 961012208 /nfs/dbraw/zinc/01/22/08/961012208.db2.gz QWGXZPXVOCWLFD-KKXDTOCCSA-N -1 0 340.423 3.643 20 0 EHADRM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000237796412 961025878 /nfs/dbraw/zinc/02/58/78/961025878.db2.gz SWXNVENRGAIQHU-GJZGRUSLSA-N -1 0 345.420 3.652 20 0 EHADRM O=C([O-])CCCCNC(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000237928958 961041470 /nfs/dbraw/zinc/04/14/70/961041470.db2.gz WFYLNTQFHYCAMX-UHFFFAOYSA-N -1 0 344.845 3.510 20 0 EHADRM Cc1ccc(CCC(=O)NCc2ccccc2C(=O)[O-])cc1Cl ZINC001574366655 961043815 /nfs/dbraw/zinc/04/38/15/961043815.db2.gz PFWJCLGXCDHHQO-UHFFFAOYSA-N -1 0 331.799 3.596 20 0 EHADRM CCC[C@@H](NC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)C(C)(C)C ZINC001573835908 961051083 /nfs/dbraw/zinc/05/10/83/961051083.db2.gz KDXOZWMIOYNOIR-DNVCBOLYSA-N -1 0 334.460 3.543 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccc(OC3CCCC3)cc2)C1 ZINC000237970538 961060896 /nfs/dbraw/zinc/06/08/96/961060896.db2.gz HTBBZBKJZLIUQM-HNNXBMFYSA-N -1 0 345.439 3.725 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)CSC(F)(F)F ZINC000238013590 961075049 /nfs/dbraw/zinc/07/50/49/961075049.db2.gz GOARRKMZVGYDTH-UHFFFAOYSA-N -1 0 329.299 3.730 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2CCSc3ccc(F)cc32)s1 ZINC000238038244 961083660 /nfs/dbraw/zinc/08/36/60/961083660.db2.gz OTHWEKZUQJRVBI-JTQLQIEISA-N -1 0 337.397 3.552 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2COc2ccccc2)nc1 ZINC000238043003 961084082 /nfs/dbraw/zinc/08/40/82/961084082.db2.gz RIYIZHGFPLUDSA-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)CSc2ccc(Cl)cc2)c1 ZINC000238102774 961097630 /nfs/dbraw/zinc/09/76/30/961097630.db2.gz PSBOOQMOJUXYKA-UHFFFAOYSA-N -1 0 339.775 3.908 20 0 EHADRM CCOc1ccc(CN(C)Cc2ccc(C(=O)[O-])cc2F)cc1OC ZINC001326539918 961107204 /nfs/dbraw/zinc/10/72/04/961107204.db2.gz RVLJLBNLCGBYKN-UHFFFAOYSA-N -1 0 347.386 3.563 20 0 EHADRM CC(C)(C)Oc1cccc(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC001588734677 961126662 /nfs/dbraw/zinc/12/66/62/961126662.db2.gz UBJNRABMOAFUAK-ZDUSSCGKSA-N -1 0 334.416 3.583 20 0 EHADRM O=C([O-])CN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000238147224 961127088 /nfs/dbraw/zinc/12/70/88/961127088.db2.gz HTIWWCDWDJHBAO-DLBZAZTESA-N -1 0 343.810 3.557 20 0 EHADRM O=C([O-])[C@H](c1ccccc1Cl)N1CCO[C@H](c2ccccc2)C1 ZINC001327323635 961153998 /nfs/dbraw/zinc/15/39/98/961153998.db2.gz OMVMGGZHMFTKCM-IRXDYDNUSA-N -1 0 331.799 3.539 20 0 EHADRM Cc1cccc([C@H](NC(=O)/C=C/c2ccc(Cl)s2)C(=O)[O-])c1 ZINC001574390538 961172490 /nfs/dbraw/zinc/17/24/90/961172490.db2.gz XYTOLASHFRKHEF-VFADXPBXSA-N -1 0 335.812 3.665 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC001327818464 961180413 /nfs/dbraw/zinc/18/04/13/961180413.db2.gz ILQWIIHNIMUFTH-BNOWGMLFSA-N -1 0 349.393 3.705 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000244144102 961184522 /nfs/dbraw/zinc/18/45/22/961184522.db2.gz URALFZZUMMWFMU-UHFFFAOYSA-N -1 0 338.407 3.871 20 0 EHADRM CN(C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1)C(C)(C)CC(=O)[O-] ZINC001328912871 961233567 /nfs/dbraw/zinc/23/35/67/961233567.db2.gz FRDHZOKJTOIZHZ-UHFFFAOYSA-N -1 0 330.428 3.791 20 0 EHADRM CN(C(=O)CCCc1ccc2ccccc2c1)C(C)(C)CC(=O)[O-] ZINC001329496578 961274031 /nfs/dbraw/zinc/27/40/31/961274031.db2.gz WTMYHRGITFLFMK-UHFFFAOYSA-N -1 0 327.424 3.874 20 0 EHADRM CN(C(=O)/C=C/c1ccc(F)c2ccccc12)C(C)(C)CC(=O)[O-] ZINC001330254330 961338572 /nfs/dbraw/zinc/33/85/72/961338572.db2.gz PMEDBVDKUJAOTK-PKNBQFBNSA-N -1 0 329.371 3.704 20 0 EHADRM CC(F)(F)C1(C(=O)NCc2c3ccccc3sc2C(=O)[O-])CC1 ZINC001330514108 961344008 /nfs/dbraw/zinc/34/40/08/961344008.db2.gz UWOMOUIMCFJRGC-UHFFFAOYSA-N -1 0 339.363 3.651 20 0 EHADRM Cc1ncc(-c2ccccc2)cc1NC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001574426117 961363770 /nfs/dbraw/zinc/36/37/70/961363770.db2.gz BOBMFMPQNQCKGX-KRWDZBQOSA-N -1 0 341.411 3.678 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000261607207 961382504 /nfs/dbraw/zinc/38/25/04/961382504.db2.gz CYSHJOZVTORLNA-HXUWFJFHSA-N -1 0 339.391 3.806 20 0 EHADRM Cc1sc(C(=O)Nc2c[nH]nc2C(=O)[O-])cc1-c1ccc(F)cc1 ZINC001574446463 961450338 /nfs/dbraw/zinc/45/03/38/961450338.db2.gz NBJHYFSSDAYZOI-UHFFFAOYSA-N -1 0 345.355 3.536 20 0 EHADRM CC[C@H](NC(=O)CCc1ccccc1C(=O)[O-])c1cc(F)ccc1F ZINC000262094668 961451808 /nfs/dbraw/zinc/45/18/08/961451808.db2.gz GUULLZQMCCLKGD-KRWDZBQOSA-N -1 0 347.361 3.863 20 0 EHADRM CCCOc1ccc(NC(=O)Cc2ccccc2C(=O)[O-])c(C)c1 ZINC000262099182 961456535 /nfs/dbraw/zinc/45/65/35/961456535.db2.gz DIVWRFNUWMYJMB-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N(C)Cc1cccs1)C(=O)[O-] ZINC000262120155 961476483 /nfs/dbraw/zinc/47/64/83/961476483.db2.gz LBPUSRKHVLTDBS-LLVKDONJSA-N -1 0 335.450 3.586 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C(=O)c1cccc(C(=O)[O-])n1)C1CC1 ZINC000262140793 961493052 /nfs/dbraw/zinc/49/30/52/961493052.db2.gz NGQYJHHHKJILIR-LLVKDONJSA-N -1 0 344.798 3.799 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(C(=O)c1cccc(C(=O)[O-])n1)C1CC1 ZINC000262140795 961493625 /nfs/dbraw/zinc/49/36/25/961493625.db2.gz NGQYJHHHKJILIR-NSHDSACASA-N -1 0 344.798 3.799 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000262143472 961496046 /nfs/dbraw/zinc/49/60/46/961496046.db2.gz MJLRBPLXFCZNRX-QGZVFWFLSA-N -1 0 343.448 3.614 20 0 EHADRM CCC[C@H](C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000262171623 961521064 /nfs/dbraw/zinc/52/10/64/961521064.db2.gz PAPAYWKPYAKHAG-OALUTQOASA-N -1 0 337.419 3.781 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)Cc2ccccc21 ZINC000262196279 961542089 /nfs/dbraw/zinc/54/20/89/961542089.db2.gz KBLLDIYKDULTKA-YIOZNXECSA-N -1 0 341.451 3.804 20 0 EHADRM CC(C)[C@H](CNC(=O)C1(c2ccc(Cl)cc2)CCCC1)C(=O)[O-] ZINC001588816283 961579238 /nfs/dbraw/zinc/57/92/38/961579238.db2.gz BNLRVUODXQPKNN-HNNXBMFYSA-N -1 0 337.847 3.625 20 0 EHADRM CC(C)[C@@H](CNC(=O)N1C[C@@H](C(C)(C)C)c2ccccc21)C(=O)[O-] ZINC001588821643 961631709 /nfs/dbraw/zinc/63/17/09/961631709.db2.gz QYUGCQRJTRZCGB-HUUCEWRRSA-N -1 0 332.444 3.703 20 0 EHADRM Cc1ccc(O[C@H](C)C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC000262342545 961657119 /nfs/dbraw/zinc/65/71/19/961657119.db2.gz AMJKWURBVXCWJB-CQSZACIVSA-N -1 0 327.380 3.716 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@H](C)CCc2ccccc2F)cc1C(=O)[O-] ZINC000262431669 961716072 /nfs/dbraw/zinc/71/60/72/961716072.db2.gz DWVDHSRTBBUUBZ-GFCCVEGCSA-N -1 0 347.386 3.653 20 0 EHADRM CC[C@@](C)(NC(=O)CC(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000262489492 961748976 /nfs/dbraw/zinc/74/89/76/961748976.db2.gz WHFIHSXBMRWCDR-HXUWFJFHSA-N -1 0 325.408 3.578 20 0 EHADRM O=C([O-])c1cc(Br)cc(C(=O)N2CCCCCCC2)c1 ZINC000262623336 961789979 /nfs/dbraw/zinc/78/99/79/961789979.db2.gz DBLUOHWZWXDMMC-UHFFFAOYSA-N -1 0 340.217 3.554 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2Cc2ccccc2)CC1 ZINC000262692114 961809220 /nfs/dbraw/zinc/80/92/20/961809220.db2.gz FDYITAOBUZQEJG-BZSNNMDCSA-N -1 0 329.440 3.501 20 0 EHADRM O=C([O-])CC1(NC(=O)CCCc2ccc3ccccc3c2)CCC1 ZINC000262692277 961809442 /nfs/dbraw/zinc/80/94/42/961809442.db2.gz BYDCFNVZUFQSCI-UHFFFAOYSA-N -1 0 325.408 3.676 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N[C@@H](C)c1c(F)cccc1Cl)C(=O)[O-] ZINC001588852417 961941500 /nfs/dbraw/zinc/94/15/00/961941500.db2.gz LMLIVSJWTMOQBK-QWRGUYRKSA-N -1 0 344.814 3.586 20 0 EHADRM CC(C)C[C@@H](CNC(=O)c1nc2ccccc2cc1C1CC1)C(=O)[O-] ZINC001588858675 961982081 /nfs/dbraw/zinc/98/20/81/961982081.db2.gz RCKLRJJVWVBNIU-HNNXBMFYSA-N -1 0 340.423 3.589 20 0 EHADRM COc1cc(NC(=O)C2(c3cc(C)cc(C)c3)CC2)ccc1C(=O)[O-] ZINC000262910898 961990043 /nfs/dbraw/zinc/99/00/43/961990043.db2.gz JPBYYWCCCXYYAC-UHFFFAOYSA-N -1 0 339.391 3.681 20 0 EHADRM Cc1cccc(Oc2ccccc2C(=O)N2CCC[C@@H]2CC(=O)[O-])c1 ZINC000262913572 961992493 /nfs/dbraw/zinc/99/24/93/961992493.db2.gz JUORJLGSPUIQHC-OAHLLOKOSA-N -1 0 339.391 3.867 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(OCC(C)C)cc1 ZINC000262914602 961995006 /nfs/dbraw/zinc/99/50/06/961995006.db2.gz JVCKYGBMZDDYJQ-UHFFFAOYSA-N -1 0 343.379 3.681 20 0 EHADRM Cc1ccc(SCc2cccc(C(=O)NCCC(=O)[O-])c2)c(C)c1 ZINC000262915908 961997345 /nfs/dbraw/zinc/99/73/45/961997345.db2.gz GGSXDGTWHXJJNL-UHFFFAOYSA-N -1 0 343.448 3.800 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)c2ccsc2C(F)F)c2ccccc21 ZINC001574558122 961999282 /nfs/dbraw/zinc/99/92/82/961999282.db2.gz NUEHNYNIWGKQBS-RYUDHWBXSA-N -1 0 337.347 3.729 20 0 EHADRM O=C([O-])CC1(NC(=O)c2ccc(CCC(F)(F)F)cc2)CCCC1 ZINC000262938057 962022917 /nfs/dbraw/zinc/02/29/17/962022917.db2.gz PNTCNOCPKSRYKB-UHFFFAOYSA-N -1 0 343.345 3.699 20 0 EHADRM CC(C)CCC[C@@H](C)NC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001588867468 962023645 /nfs/dbraw/zinc/02/36/45/962023645.db2.gz LJCYQBLGFFOXBU-DNVCBOLYSA-N -1 0 334.460 3.543 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000262940741 962025350 /nfs/dbraw/zinc/02/53/50/962025350.db2.gz PUUMATQOFOPJJF-RDTXWAMCSA-N -1 0 343.398 3.612 20 0 EHADRM CC(C)c1ccc([C@H](NC(=O)N2CC[C@@H](C(=O)[O-])C2)C(C)C)cc1 ZINC000262945321 962031679 /nfs/dbraw/zinc/03/16/79/962031679.db2.gz HRWWHOQSNAAWPM-IAGOWNOFSA-N -1 0 332.444 3.623 20 0 EHADRM CC[C@H](NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccc(F)cc1 ZINC001339822751 962074908 /nfs/dbraw/zinc/07/49/08/962074908.db2.gz OVLMYPOIURJGLM-BBRMVZONSA-N -1 0 336.407 3.563 20 0 EHADRM C[C@@H](NC(=O)[C@@H](C)CC1CCCCC1)c1ccc(OCC(=O)[O-])cc1 ZINC000262985542 962076766 /nfs/dbraw/zinc/07/67/66/962076766.db2.gz JVOCOUPKNHOGTO-LSDHHAIUSA-N -1 0 347.455 3.934 20 0 EHADRM CC[C@H](Cc1ccccc1)N(CC)C(=O)c1c(C)coc1CC(=O)[O-] ZINC000263007083 962105322 /nfs/dbraw/zinc/10/53/22/962105322.db2.gz RUHDERIMRNHWFU-MRXNPFEDSA-N -1 0 343.423 3.699 20 0 EHADRM CC[C@@](CNC(=O)c1ccoc1C(C)C)(C(=O)[O-])c1ccccc1 ZINC000263021179 962127142 /nfs/dbraw/zinc/12/71/42/962127142.db2.gz OLSBJVYZLVPBMH-IBGZPJMESA-N -1 0 329.396 3.565 20 0 EHADRM CC(C)COc1ccccc1[C@@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[O-] ZINC001588880329 962138900 /nfs/dbraw/zinc/13/89/00/962138900.db2.gz LXLRWTBAVYLWIF-GDBMZVCRSA-N -1 0 335.444 3.646 20 0 EHADRM CC(C)C[C@@H](NC(=O)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F)C(=O)[O-] ZINC001588881379 962153527 /nfs/dbraw/zinc/15/35/27/962153527.db2.gz KXEWNBAOUAAXDZ-UXIGCNINSA-N -1 0 341.810 3.588 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2csc(C(C)(C)C)n2)c1 ZINC000263037835 962159327 /nfs/dbraw/zinc/15/93/27/962159327.db2.gz CRADQVSEAWZGIK-SNVBAGLBSA-N -1 0 332.425 3.881 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)CCCOc2ccc(F)cc2)cc1 ZINC000263042353 962166885 /nfs/dbraw/zinc/16/68/85/962166885.db2.gz DBFFOZYYTNJNAJ-CYBMUJFWSA-N -1 0 345.370 3.812 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1cc(Cl)cc(C(F)(F)F)c1)C(=O)[O-] ZINC001588886629 962177935 /nfs/dbraw/zinc/17/79/35/962177935.db2.gz POLMPXIEWHNCDN-LLVKDONJSA-N -1 0 337.725 3.588 20 0 EHADRM O=C([O-])c1c(NC(=O)c2cccc3c2OCC3)sc2c1CCCC2 ZINC001574614284 962208428 /nfs/dbraw/zinc/20/84/28/962208428.db2.gz MMHVDFGBIVTICB-UHFFFAOYSA-N -1 0 343.404 3.512 20 0 EHADRM O=C([O-])[C@H](C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1)C1CCCC1 ZINC001574615497 962213607 /nfs/dbraw/zinc/21/36/07/962213607.db2.gz BLBNHOLPPQJECI-HOCLYGCPSA-N -1 0 335.831 3.547 20 0 EHADRM Cn1c(C(=O)[O-])ccc1[C@@H]1CCCCN1C(=O)C1CCC2(CC2)CC1 ZINC001344593074 962214821 /nfs/dbraw/zinc/21/48/21/962214821.db2.gz UCFPAXSUQQYSIC-INIZCTEOSA-N -1 0 344.455 3.747 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CCC[C@@H]1c1cc(C)ccc1C ZINC000263073044 962215494 /nfs/dbraw/zinc/21/54/94/962215494.db2.gz YLKJMCDFYCEPOQ-MRXNPFEDSA-N -1 0 341.407 3.809 20 0 EHADRM CC(C)C[C@H](CNC(=O)N[C@@H](C)[C@H](C)c1ccccc1)CC(=O)[O-] ZINC001588893100 962217634 /nfs/dbraw/zinc/21/76/34/962217634.db2.gz UAGFYJITCQVUQP-JYJNAYRXSA-N -1 0 334.460 3.615 20 0 EHADRM CC(C)C[C@H](CNC(=O)N[C@H](C)c1ccc2c(c1)CCC2)CC(=O)[O-] ZINC001588894495 962224715 /nfs/dbraw/zinc/22/47/15/962224715.db2.gz ZZTIKNUTINMWMK-CABCVRRESA-N -1 0 346.471 3.673 20 0 EHADRM O=C([O-])C1(C(=O)NCC2(C(F)(F)F)CCCC2)CCCCCC1 ZINC001574626351 962284374 /nfs/dbraw/zinc/28/43/74/962284374.db2.gz OHMUGPPXQZNWMA-UHFFFAOYSA-N -1 0 335.366 3.651 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)C2(Cc3cccc(F)c3)CCC2)s1 ZINC000263145548 962299764 /nfs/dbraw/zinc/29/97/64/962299764.db2.gz HBYJZASOHGXBMQ-UHFFFAOYSA-N -1 0 347.411 3.615 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000263150235 962303631 /nfs/dbraw/zinc/30/36/31/962303631.db2.gz LTVLBRHOWIOCOJ-JKSUJKDBSA-N -1 0 327.355 3.883 20 0 EHADRM CC(C)(CCNC(=O)c1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC000263154400 962306262 /nfs/dbraw/zinc/30/62/62/962306262.db2.gz XPAVDILQZJJTHZ-UHFFFAOYSA-N -1 0 327.380 3.710 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(CCC(=O)[O-])c2)c(C)n1CC1CC1 ZINC001345917858 962316090 /nfs/dbraw/zinc/31/60/90/962316090.db2.gz BNUYHBGMYRIIQV-UHFFFAOYSA-N -1 0 340.423 3.784 20 0 EHADRM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)CCCC(C)(C)C)c1 ZINC000263170498 962323083 /nfs/dbraw/zinc/32/30/83/962323083.db2.gz KPMREHNVCJFIDU-LJQANCHMSA-N -1 0 335.444 3.718 20 0 EHADRM Cc1ccc(SC2CCCC2)c(C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)c1 ZINC000263189556 962345534 /nfs/dbraw/zinc/34/55/34/962345534.db2.gz MITHZICZQNQNFI-UKRRQHHQSA-N -1 0 347.480 3.965 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2nc(-c3ccccc3)cs2)CC=CCC1 ZINC001574641371 962357679 /nfs/dbraw/zinc/35/76/79/962357679.db2.gz UZGSUHOOEMLROB-QGZVFWFLSA-N -1 0 328.393 3.560 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000263203759 962359899 /nfs/dbraw/zinc/35/98/99/962359899.db2.gz KJNLMMFKMBTLGO-OLZOCXBDSA-N -1 0 329.371 3.831 20 0 EHADRM Cc1cccc(-c2cccc(CNC(=O)CCCCC(=O)[O-])c2)c1 ZINC000263226522 962376544 /nfs/dbraw/zinc/37/65/44/962376544.db2.gz AEHHZDZXWGEOLB-UHFFFAOYSA-N -1 0 325.408 3.923 20 0 EHADRM CCCOc1ccc(NC(=O)Cc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000263230819 962380052 /nfs/dbraw/zinc/38/00/52/962380052.db2.gz CWIPEWQTAFFTQB-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM CO[C@@](C)(C(=O)[O-])C(=O)Nc1ccc(Sc2ccccc2)cc1C ZINC001574111539 962456914 /nfs/dbraw/zinc/45/69/14/962456914.db2.gz MZBIJNUBVJGSQS-GOSISDBHSA-N -1 0 345.420 3.574 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N(CCc2ccccc2)C2CCCC2)C1 ZINC000263325022 962467588 /nfs/dbraw/zinc/46/75/88/962467588.db2.gz ONCLAFOLZCVSBF-DLBZAZTESA-N -1 0 329.440 3.501 20 0 EHADRM Cc1cccc(OCCN(C)[C@@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC001349582107 962472670 /nfs/dbraw/zinc/47/26/70/962472670.db2.gz ULZKQJXLXWTZKV-QGZVFWFLSA-N -1 0 333.815 3.785 20 0 EHADRM CC(C)Oc1cccc([C@@H](C)NC(=O)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000263334758 962480530 /nfs/dbraw/zinc/48/05/30/962480530.db2.gz NDTMAFYXPXWAGH-CQSZACIVSA-N -1 0 341.407 3.592 20 0 EHADRM CC(C)Oc1c(F)cc(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)cc1F ZINC001588935339 962493045 /nfs/dbraw/zinc/49/30/45/962493045.db2.gz WZPSAEJJUVGUEF-AWEZNQCLSA-N -1 0 341.354 3.582 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2ccsc2C(F)(F)F)CCCC1 ZINC001349965457 962511922 /nfs/dbraw/zinc/51/19/22/962511922.db2.gz OQJXCUJCFMTXAF-UHFFFAOYSA-N -1 0 335.347 3.532 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)c1 ZINC000263359076 962515943 /nfs/dbraw/zinc/51/59/43/962515943.db2.gz XVKBDUYLXWCYFA-BPNCWPANSA-N -1 0 345.345 3.895 20 0 EHADRM CCCc1nc(C)c(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)s1 ZINC000263364110 962521674 /nfs/dbraw/zinc/52/16/74/962521674.db2.gz ZGWCLNGWTPKCBA-SNVBAGLBSA-N -1 0 332.425 3.844 20 0 EHADRM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000263366890 962526231 /nfs/dbraw/zinc/52/62/31/962526231.db2.gz WKLWLRZHUBUGAX-UGSOOPFHSA-N -1 0 341.382 3.676 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)NCC(C)(C)c1ccccc1Cl ZINC000263409507 962575553 /nfs/dbraw/zinc/57/55/53/962575553.db2.gz IQJQRFPNDNOMPJ-UHFFFAOYSA-N -1 0 349.814 3.576 20 0 EHADRM COc1cccc(CC(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)c1 ZINC000263414278 962583454 /nfs/dbraw/zinc/58/34/54/962583454.db2.gz NLCNTUMNSSCNPL-QGZVFWFLSA-N -1 0 347.455 3.558 20 0 EHADRM C[C@H](NCc1cccc(C(=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000263424781 962599108 /nfs/dbraw/zinc/59/91/08/962599108.db2.gz QFSAKBAAIFYFTE-QMMMGPOBSA-N -1 0 330.331 3.711 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N[C@H]1CCC(C)(C)c2ccccc21 ZINC000263432989 962608914 /nfs/dbraw/zinc/60/89/14/962608914.db2.gz NXZAVFMIIHWDSC-HNNXBMFYSA-N -1 0 341.407 3.758 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)NC3CCC(C(=O)[O-])CC3)C2)cc1 ZINC000263438204 962615207 /nfs/dbraw/zinc/61/52/07/962615207.db2.gz CWSYRKKHEHWESV-CCGTUFIJSA-N -1 0 344.455 3.526 20 0 EHADRM Cc1ccc(NC2CCC(C(=O)[O-])CC2)cc1C(=O)N(C)C(C)C ZINC000263438848 962619001 /nfs/dbraw/zinc/61/90/01/962619001.db2.gz VOMQXSCPXGTOFK-UHFFFAOYSA-N -1 0 332.444 3.531 20 0 EHADRM O=C([O-])c1cccc(CNc2ccccc2OC[C@H]2CCCCO2)c1 ZINC000263452158 962639719 /nfs/dbraw/zinc/63/97/19/962639719.db2.gz GMPDDQCXNVWDRA-QGZVFWFLSA-N -1 0 341.407 3.945 20 0 EHADRM CC(C)c1ccc(CN(C)C(=O)Nc2cccnc2C(=O)[O-])cc1 ZINC001588966554 962647038 /nfs/dbraw/zinc/64/70/38/962647038.db2.gz CEEXIJPQWFJWRL-UHFFFAOYSA-N -1 0 327.384 3.567 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CCC[C@@H](c2ccccc2)CC1 ZINC000263460176 962648996 /nfs/dbraw/zinc/64/89/96/962648996.db2.gz VLFWCWQKTVVONF-MRXNPFEDSA-N -1 0 341.407 3.625 20 0 EHADRM O=C([O-])CCCNC(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000263463478 962650643 /nfs/dbraw/zinc/65/06/43/962650643.db2.gz FKHNDSGWKYFRSH-UHFFFAOYSA-N -1 0 340.807 3.648 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000263339888 1125483657 /nfs/dbraw/zinc/48/36/57/1125483657.db2.gz RRDAHTBMTUSWTM-CQSZACIVSA-N -1 0 327.380 3.672 20 0 EHADRM CC(C)c1ccc(SCC(=O)Nc2cncc(C(=O)[O-])c2)cc1 ZINC001588968597 962659490 /nfs/dbraw/zinc/65/94/90/962659490.db2.gz MSGVQHYQRKRFGQ-UHFFFAOYSA-N -1 0 330.409 3.634 20 0 EHADRM CC(C)c1ccccc1N(C)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC001588973296 962672362 /nfs/dbraw/zinc/67/23/62/962672362.db2.gz LUCFMPYYURNDPD-UHFFFAOYSA-N -1 0 327.380 3.550 20 0 EHADRM O=C([O-])CCNC(=O)Nc1ccccc1OCc1cccc(Cl)c1 ZINC001574709140 962694006 /nfs/dbraw/zinc/69/40/06/962694006.db2.gz FKWNTFMJKCHDKL-UHFFFAOYSA-N -1 0 348.786 3.515 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)Nc2ncsc2C2CC2)c1 ZINC001574709295 962695458 /nfs/dbraw/zinc/69/54/58/962695458.db2.gz BUGSUKPIODLFEA-UHFFFAOYSA-N -1 0 331.397 3.682 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)[O-] ZINC000263527955 962708265 /nfs/dbraw/zinc/70/82/65/962708265.db2.gz KXWRHPKJWJTOKX-MRXNPFEDSA-N -1 0 343.423 3.693 20 0 EHADRM O=C([O-])c1cccc(C(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000263552524 962725409 /nfs/dbraw/zinc/72/54/09/962725409.db2.gz XDKIISMWFQJUHO-DYVFJYSZSA-N -1 0 327.355 3.590 20 0 EHADRM C[C@H](CCC(=O)NCCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000263555316 962725459 /nfs/dbraw/zinc/72/54/59/962725459.db2.gz YNVRKESYPKKDCO-OAHLLOKOSA-N -1 0 325.408 3.627 20 0 EHADRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)c1sccc1-c1ccc(F)cc1 ZINC001517434779 962797854 /nfs/dbraw/zinc/79/78/54/962797854.db2.gz SMHGCCZPCHSJEM-SWLSCSKDSA-N -1 0 347.411 3.927 20 0 EHADRM COc1cc(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)cc(OC)c1C(C)C ZINC001574185845 962832224 /nfs/dbraw/zinc/83/22/24/962832224.db2.gz BQBRZWPADYTIMQ-LJQANCHMSA-N -1 0 347.411 3.577 20 0 EHADRM Cc1coc(C)c1C(=O)N[C@]1(C(=O)[O-])CC[C@H](C)c2ccccc21 ZINC001520204646 962851276 /nfs/dbraw/zinc/85/12/76/962851276.db2.gz CEXSGWVCJXXOIK-JEOXALJRSA-N -1 0 327.380 3.504 20 0 EHADRM COc1ccc(C(=O)OCc2ccc(C(=O)[O-])cc2)c(OC(C)C)c1 ZINC001574202153 962894852 /nfs/dbraw/zinc/89/48/52/962894852.db2.gz TVTYQWCVMULVHY-UHFFFAOYSA-N -1 0 344.363 3.538 20 0 EHADRM CC(C)(C)OC(=O)NCc1ccccc1NCc1cc(C(=O)[O-])co1 ZINC000310656526 963422540 /nfs/dbraw/zinc/42/25/40/963422540.db2.gz VIAXRJSDGZNNOZ-UHFFFAOYSA-N -1 0 346.383 3.615 20 0 EHADRM O=C([O-])c1ccnc(NCc2ccc(OCc3ccccc3)cc2)c1 ZINC000310929976 963446197 /nfs/dbraw/zinc/44/61/97/963446197.db2.gz SVDSACJJQISYSH-UHFFFAOYSA-N -1 0 334.375 3.971 20 0 EHADRM O=C([O-])c1cccc(CNc2ccc(OCc3ccccc3)cc2)n1 ZINC000310928409 963446542 /nfs/dbraw/zinc/44/65/42/963446542.db2.gz SOOBBSWQWJXGPA-UHFFFAOYSA-N -1 0 334.375 3.971 20 0 EHADRM CN(Cc1sccc1Br)C1(C(=O)[O-])CCCCC1 ZINC000311119378 963461638 /nfs/dbraw/zinc/46/16/38/963461638.db2.gz XDTKGEWRTNKUCY-UHFFFAOYSA-N -1 0 332.263 3.730 20 0 EHADRM Cc1[nH]c(CNc2cc(F)c(Br)cc2C)cc1C(=O)[O-] ZINC000312417962 963560454 /nfs/dbraw/zinc/56/04/54/963560454.db2.gz YBGODTDKKOFVHZ-UHFFFAOYSA-N -1 0 341.180 3.843 20 0 EHADRM Cc1csc(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])c1Cl ZINC000313783945 963680534 /nfs/dbraw/zinc/68/05/34/963680534.db2.gz RCNQTDWTRYFDJV-LLVKDONJSA-N -1 0 329.849 3.863 20 0 EHADRM O=C([O-])c1nccc(Oc2ccc3cc(Br)ccc3c2)n1 ZINC000314144277 963717363 /nfs/dbraw/zinc/71/73/63/963717363.db2.gz LTPQFMQVTRIWDH-UHFFFAOYSA-N -1 0 345.152 3.883 20 0 EHADRM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1sccc1C(=O)[O-] ZINC000314214029 963726461 /nfs/dbraw/zinc/72/64/61/963726461.db2.gz LDRPQHNDSPQBFQ-SECBINFHSA-N -1 0 339.800 3.814 20 0 EHADRM CCCN(CC(F)(F)F)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000314751253 963804025 /nfs/dbraw/zinc/80/40/25/963804025.db2.gz YALOXKWBELXRIB-UHFFFAOYSA-N -1 0 338.713 3.844 20 0 EHADRM O=C([O-])c1ccc(Oc2c(Cl)cncc2[N+](=O)[O-])c(Cl)c1 ZINC000314856165 963821490 /nfs/dbraw/zinc/82/14/90/963821490.db2.gz NJMHMKKCOLFHOU-UHFFFAOYSA-N -1 0 329.095 3.787 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)c1nccs1 ZINC000315894036 963948104 /nfs/dbraw/zinc/94/81/04/963948104.db2.gz OSEQSCWTSADFMC-NSHDSACASA-N -1 0 339.804 3.768 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC000033463615 967501491 /nfs/dbraw/zinc/50/14/91/967501491.db2.gz LLLWPNDBKQYTDZ-QGZVFWFLSA-N -1 0 327.380 3.708 20 0 EHADRM CC[C@@H](CC(=O)NCC(CC)(CC)C(=O)[O-])c1ccc(OC)cc1 ZINC000192904106 967683440 /nfs/dbraw/zinc/68/34/40/967683440.db2.gz ZMOKLFMNSMUOSX-AWEZNQCLSA-N -1 0 335.444 3.586 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)CCSc1ccccc1F ZINC000237982111 967785713 /nfs/dbraw/zinc/78/57/13/967785713.db2.gz WTIGHSIBSASDNH-CYBMUJFWSA-N -1 0 339.432 3.554 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)CC2CC(c3ccccc3)C2)C1 ZINC000263315391 967869781 /nfs/dbraw/zinc/86/97/81/967869781.db2.gz HNDDKDNNAYXRAB-HJOIGYKYSA-N -1 0 329.440 3.674 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000263370105 967882135 /nfs/dbraw/zinc/88/21/35/967882135.db2.gz MQSYGKNRXWRPEV-SFHVURJKSA-N -1 0 338.407 3.740 20 0 EHADRM C[C@@H](CN(C)C(=O)NCc1ccc(C2CCCCC2)cc1)C(=O)[O-] ZINC000263409328 967888610 /nfs/dbraw/zinc/88/86/10/967888610.db2.gz ULDUWUDKSNBYCI-AWEZNQCLSA-N -1 0 332.444 3.596 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)Nc2cc(F)ccc2Cl)C1 ZINC000318087878 967989875 /nfs/dbraw/zinc/98/98/75/967989875.db2.gz KGVHDERBHADXQM-SNVBAGLBSA-N -1 0 328.771 3.588 20 0 EHADRM COc1ccc(Cl)c(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)c1 ZINC000321499676 968013285 /nfs/dbraw/zinc/01/32/85/968013285.db2.gz LODSNNMQAITRGN-NSHDSACASA-N -1 0 342.823 3.607 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2ccc(F)c3ccccc23)CC1 ZINC000326421751 968044177 /nfs/dbraw/zinc/04/41/77/968044177.db2.gz VHCRTCILKKLAGF-UHFFFAOYSA-N -1 0 329.371 3.696 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)N2CC[C@H](c3ccccc3)C2)c1 ZINC000392742482 968204419 /nfs/dbraw/zinc/20/44/19/968204419.db2.gz ZDBCNDYUPSSKOH-KRWDZBQOSA-N -1 0 338.407 3.725 20 0 EHADRM O=C([O-])C1CCC(NC(=O)Nc2ccnc(-c3ccccc3)c2)CC1 ZINC000515222934 968388975 /nfs/dbraw/zinc/38/89/75/968388975.db2.gz CYMSMADBUXMAHX-UHFFFAOYSA-N -1 0 339.395 3.514 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)CCCCC1 ZINC000540705422 968402743 /nfs/dbraw/zinc/40/27/43/968402743.db2.gz RXAMXABSVOHCFA-LAUBAEHRSA-N -1 0 341.451 3.574 20 0 EHADRM CC[C@H](NC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000567468165 968433110 /nfs/dbraw/zinc/43/31/10/968433110.db2.gz BDADXURYMVLTSQ-GLQYFDAESA-N -1 0 338.835 3.543 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)Nc1ccc(COC2CCCC2)cc1)C1CC1 ZINC000576574061 968462016 /nfs/dbraw/zinc/46/20/16/968462016.db2.gz KFDLLJIWZCGOGA-ZDUSSCGKSA-N -1 0 346.427 3.615 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)Cc2ccc3c(c2)CCCC3)c2ccccc21 ZINC000653333740 968665765 /nfs/dbraw/zinc/66/57/65/968665765.db2.gz SPADIXUKXXPXOO-VQTJNVASSA-N -1 0 349.430 3.537 20 0 EHADRM C[C@@H](NC(=O)c1c[nH]cc1-c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655585858 968689559 /nfs/dbraw/zinc/68/95/59/968689559.db2.gz GTJKKCOAGSSSNZ-OAUYIBNBSA-N -1 0 340.423 3.547 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc3cc(Cl)ccc3s2)C[C@@H]1C(=O)[O-] ZINC000663057348 968776126 /nfs/dbraw/zinc/77/61/26/968776126.db2.gz KVCPFMYVNJEKPK-SKDRFNHKSA-N -1 0 337.828 3.738 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2ccccc2Cc2ccccc2)C1 ZINC000676218282 968861848 /nfs/dbraw/zinc/86/18/48/968861848.db2.gz LGOTYHFWAYIBBT-KRWDZBQOSA-N -1 0 337.419 3.604 20 0 EHADRM Cc1ccc([C@H](NC(=O)c2coc(/C=C\C(=O)[O-])c2)C2CC2)cc1 ZINC000901584310 969443316 /nfs/dbraw/zinc/44/33/16/969443316.db2.gz FCQGLQUNLKNTKH-GIFJBRJJSA-N -1 0 325.364 3.567 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)c2coc(/C=C/C(=O)[O-])c2)cc1 ZINC000901793471 969475550 /nfs/dbraw/zinc/47/55/50/969475550.db2.gz LIEJDFAYHQHAFA-IJDCCNJMSA-N -1 0 325.364 3.663 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(CC(F)(F)Br)CC1 ZINC001595250450 970336449 /nfs/dbraw/zinc/33/64/49/970336449.db2.gz MMXUHWKKPODFDV-UHFFFAOYSA-N -1 0 348.187 3.552 20 0 EHADRM Cc1cccc(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)c1Cl ZINC000317338526 970348870 /nfs/dbraw/zinc/34/88/70/970348870.db2.gz WXCLLMHWJCTDKM-UHFFFAOYSA-N -1 0 325.698 3.877 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)c2cc(Cl)ncc2Cl)cc1F ZINC000317481071 970363135 /nfs/dbraw/zinc/36/31/35/970363135.db2.gz RVKNYKLITZBMJG-UHFFFAOYSA-N -1 0 347.104 3.617 20 0 EHADRM CC1(C)CCN(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CCS1 ZINC000318024316 970404472 /nfs/dbraw/zinc/40/44/72/970404472.db2.gz UTPLYFGJXYXKAM-UHFFFAOYSA-N -1 0 342.848 3.788 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COc1cc(C)c([N+](=O)[O-])cc1F ZINC000318322422 970424918 /nfs/dbraw/zinc/42/49/18/970424918.db2.gz RAGMFFFCBOFKME-UHFFFAOYSA-N -1 0 325.317 3.689 20 0 EHADRM O=C([O-])c1cc(NC(=O)/C=C\c2ccccc2Cl)c(F)cc1F ZINC000319665287 970560107 /nfs/dbraw/zinc/56/01/07/970560107.db2.gz HIMVFGXONASQKT-WAYWQWQTSA-N -1 0 337.709 3.968 20 0 EHADRM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000319785897 970572217 /nfs/dbraw/zinc/57/22/17/970572217.db2.gz YZTZHAMFGRMSNM-SECBINFHSA-N -1 0 337.734 3.583 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@H]2CCCc3sccc32)ccc1F ZINC000320107099 970614758 /nfs/dbraw/zinc/61/47/58/970614758.db2.gz GERZJNIRRUFHFW-ZDUSSCGKSA-N -1 0 334.372 3.785 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)N1CCc2ccccc2C1 ZINC000320320794 970648156 /nfs/dbraw/zinc/64/81/56/970648156.db2.gz FEUANPAZYQHQAV-UHFFFAOYSA-N -1 0 330.771 3.628 20 0 EHADRM O=C(CSc1ccc(C(=O)[O-])cc1)Nc1cccc2c1N=S=N2 ZINC000320708949 970702900 /nfs/dbraw/zinc/70/29/00/970702900.db2.gz TYBQHTFZYGJIIZ-UHFFFAOYSA-N -1 0 345.405 3.842 20 0 EHADRM CCCc1nc(C)c(NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)s1 ZINC001610262022 970710676 /nfs/dbraw/zinc/71/06/76/970710676.db2.gz VQRTYQPRPVJGKY-GFCCVEGCSA-N -1 0 339.461 3.513 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C[C@@H]1C ZINC000321056923 970739765 /nfs/dbraw/zinc/73/97/65/970739765.db2.gz YLWOWLHFOAJHOE-UTLUCORTSA-N -1 0 326.343 3.609 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NCc2cc(F)c(Cl)cc2F)c1 ZINC001600108646 970762348 /nfs/dbraw/zinc/76/23/48/970762348.db2.gz OLDWFCNTTDHMFN-UHFFFAOYSA-N -1 0 339.725 3.555 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)N[C@@H]2CCCC23CC3)c1Cl ZINC001605851812 972598748 /nfs/dbraw/zinc/59/87/48/972598748.db2.gz UBIURLIAIKPETE-SNVBAGLBSA-N -1 0 326.755 3.632 20 0 EHADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CC[C@@H](c2ccccc2)c2ccccc21 ZINC001605018489 972618938 /nfs/dbraw/zinc/61/89/38/972618938.db2.gz JIALRBSNFVEAEQ-ZJTDPSCFSA-N -1 0 335.403 3.666 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@H]2C[C@H](c3ccccc3Cl)C2)ccn1 ZINC001605868989 972633844 /nfs/dbraw/zinc/63/38/44/972633844.db2.gz QTZCYAMBRRDCKD-UMSPYCQHSA-N -1 0 345.786 3.501 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1nc2c(s1)c(Cl)ccc2F ZINC001603324129 972668473 /nfs/dbraw/zinc/66/84/73/972668473.db2.gz VHSNEOJJIONNKJ-AWEZNQCLSA-N -1 0 342.779 3.528 20 0 EHADRM CC1(C)CCC[C@@H]1N(Cc1ccccc1)C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001603329005 972686953 /nfs/dbraw/zinc/68/69/53/972686953.db2.gz TYFIHUGLPYQZDK-BBWFWOEESA-N -1 0 329.440 3.705 20 0 EHADRM Cc1c(-c2nc(C3(C(=O)[O-])CCC3)no2)cccc1-c1ccccn1 ZINC001605066336 972692964 /nfs/dbraw/zinc/69/29/64/972692964.db2.gz FHXCCNWVRSKOQY-UHFFFAOYSA-N -1 0 335.363 3.613 20 0 EHADRM O=C([O-])[C@H](C(=O)NCc1ccc(Sc2ccccc2)cc1)C1CC1 ZINC001605898007 972707952 /nfs/dbraw/zinc/70/79/52/972707952.db2.gz HLAPFCVEXHSTCR-KRWDZBQOSA-N -1 0 341.432 3.565 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC001605077399 972713627 /nfs/dbraw/zinc/71/36/27/972713627.db2.gz VMRWTRZAGMMFEZ-LKFCYVNXSA-N -1 0 335.400 3.674 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1ccc(C(F)(F)F)c(F)c1)C1CCCC1 ZINC001605901445 972736212 /nfs/dbraw/zinc/73/62/12/972736212.db2.gz PVLMHCBWTOJCIM-GFCCVEGCSA-N -1 0 333.281 3.674 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)c1 ZINC001605132620 972799202 /nfs/dbraw/zinc/79/92/02/972799202.db2.gz UONROSHMARAQPN-IBGZPJMESA-N -1 0 346.386 3.608 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N(C)Cc2cccc(F)c2)cc1 ZINC000396396182 972874714 /nfs/dbraw/zinc/87/47/14/972874714.db2.gz UOXFDQKCEQNRPI-LBPRGKRZSA-N -1 0 330.359 3.678 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2csc(-c3ccco3)n2)cc1 ZINC000396498094 972906661 /nfs/dbraw/zinc/90/66/61/972906661.db2.gz MZGFILYOHCGKEU-SNVBAGLBSA-N -1 0 342.376 3.844 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cc(-c3ccccc3)no2)cc1 ZINC000396516025 972911305 /nfs/dbraw/zinc/91/13/05/972911305.db2.gz TUPXCAXXJXQUQL-GFCCVEGCSA-N -1 0 336.347 3.782 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cc(Cl)c(Cl)[nH]2)cc1 ZINC000396549030 972916165 /nfs/dbraw/zinc/91/61/65/972916165.db2.gz FWAHAXRUIFDZNJ-ZETCQYMHSA-N -1 0 327.167 3.762 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@H]2CSc3ccccc32)cc1 ZINC000396656645 972931964 /nfs/dbraw/zinc/93/19/64/972931964.db2.gz WOWNRZYQIFAESB-ABAIWWIYSA-N -1 0 327.405 3.703 20 0 EHADRM Cc1cc(NC(=O)N2CCC[C@H]([C@H]3CCCCO3)C2)ccc1C(=O)[O-] ZINC001605201638 972935243 /nfs/dbraw/zinc/93/52/43/972935243.db2.gz ZONGYDCZZCCFJL-WMLDXEAASA-N -1 0 346.427 3.506 20 0 EHADRM Cc1cc(O)c(C(C)C)cc1NC(=O)Nc1cccnc1C(=O)[O-] ZINC001605213370 972956363 /nfs/dbraw/zinc/95/63/63/972956363.db2.gz FZQUIFZCJUQDFP-UHFFFAOYSA-N -1 0 329.356 3.561 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1cccc(C(C)(F)F)c1 ZINC001603388135 972987744 /nfs/dbraw/zinc/98/77/44/972987744.db2.gz GEUYTADKAJWFKN-GHMZBOCLSA-N -1 0 326.343 3.515 20 0 EHADRM Cc1ccc(C(F)(F)F)c(NC(=O)NC2(C(=O)[O-])CCCC2)c1 ZINC001605256869 973031180 /nfs/dbraw/zinc/03/11/80/973031180.db2.gz KBVBKCFFXQHCAR-UHFFFAOYSA-N -1 0 330.306 3.533 20 0 EHADRM C[C@@H]1CCC[C@H](C2CN(C(=O)Nc3cccc(CC(=O)[O-])c3)C2)C1 ZINC001603398103 973040635 /nfs/dbraw/zinc/04/06/35/973040635.db2.gz SPNLFQXUFMQCBF-HIFRSBDPSA-N -1 0 330.428 3.604 20 0 EHADRM O=C([O-])C1CN(C(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)C1 ZINC001606031512 973131809 /nfs/dbraw/zinc/13/18/09/973131809.db2.gz NIIPCSDTTYGICT-VURMDHGXSA-N -1 0 347.823 3.625 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc(COC(C)(C)C)cc2)C[C@@H]1C(=O)[O-] ZINC001603422020 973137564 /nfs/dbraw/zinc/13/75/64/973137564.db2.gz RFBIKRPHSVYTQT-CJNGLKHVSA-N -1 0 348.443 3.576 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC001605320690 973157624 /nfs/dbraw/zinc/15/76/24/973157624.db2.gz YHYSNXUXMMKJPM-GXTWGEPZSA-N -1 0 331.318 3.714 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)N2CCCc3cccc(Cl)c32)co1 ZINC001606063565 973192368 /nfs/dbraw/zinc/19/23/68/973192368.db2.gz RFDKEZRUHWTWCS-SREVYHEPSA-N -1 0 331.755 3.624 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)C(=O)[O-])c1 ZINC001605329882 973202575 /nfs/dbraw/zinc/20/25/75/973202575.db2.gz ZWJOMJWVXJNSNT-MRXNPFEDSA-N -1 0 342.782 3.685 20 0 EHADRM C[C@@H](CN(C)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F)C(C)(C)C ZINC000399437470 973219078 /nfs/dbraw/zinc/21/90/78/973219078.db2.gz KUWYFDNXRZDCKY-VIFPVBQESA-N -1 0 328.359 3.809 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC001605347108 973243259 /nfs/dbraw/zinc/24/32/59/973243259.db2.gz DNMDSVKLWMBGOP-DOPJRALCSA-N -1 0 338.407 3.668 20 0 EHADRM Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)NC1CCC(C(=O)[O-])CC1 ZINC001605347408 973244237 /nfs/dbraw/zinc/24/42/37/973244237.db2.gz KUNCXHWQDIVNHE-JWMHWRSXSA-N -1 0 329.440 3.736 20 0 EHADRM Cc1cccc2oc(C(=O)N3Cc4ccccc4[C@H](C(=O)[O-])C3)cc21 ZINC001605350067 973250494 /nfs/dbraw/zinc/25/04/94/973250494.db2.gz OXRKJUARIBCZEB-MRXNPFEDSA-N -1 0 335.359 3.565 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)NCC1CC(c2ccccc2)C1 ZINC001606116874 973346374 /nfs/dbraw/zinc/34/63/74/973346374.db2.gz QHDXFIOITDUTSX-VMWRSERWSA-N -1 0 344.455 3.609 20 0 EHADRM C[C@@H]1Cc2c(C(=O)[O-])c(NC(=O)CCc3ccoc3)sc2[C@@H](C)O1 ZINC001603475101 973362691 /nfs/dbraw/zinc/36/26/91/973362691.db2.gz JEUMOUZDDYGTMF-NXEZZACHSA-N -1 0 349.408 3.633 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N[C@H](C)Cc1ccccc1C(F)(F)F ZINC001603522892 973557235 /nfs/dbraw/zinc/55/72/35/973557235.db2.gz DTNHENJCTMYWQC-LLVKDONJSA-N -1 0 345.361 3.644 20 0 EHADRM CC[C@@H](CNC(=O)[C@@H](CC(C)C)c1ccc(Cl)cc1)C(=O)[O-] ZINC001603550985 973623775 /nfs/dbraw/zinc/62/37/75/973623775.db2.gz XUYRSIJQFSKENK-WFASDCNBSA-N -1 0 325.836 3.697 20 0 EHADRM CC[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1F)CC(F)(F)F ZINC000402714749 973643830 /nfs/dbraw/zinc/64/38/30/973643830.db2.gz FXSKMZGFRXYOER-MRVPVSSYSA-N -1 0 336.285 3.624 20 0 EHADRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NC1C[C@H]2CC[C@@H](C1)S2 ZINC000403687700 973683498 /nfs/dbraw/zinc/68/34/98/973683498.db2.gz CWSPQTDWJKJWEJ-RSMPGPOFSA-N -1 0 342.804 3.785 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)NCC[C@H]1CCc2ccccc21 ZINC001606317851 973731025 /nfs/dbraw/zinc/73/10/25/973731025.db2.gz CANNRHYSTWZNLN-OAHLLOKOSA-N -1 0 338.407 3.555 20 0 EHADRM Cc1c(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])sc2cccc(F)c12 ZINC000405250832 973803145 /nfs/dbraw/zinc/80/31/45/973803145.db2.gz KPWQWUGDDCNYKJ-CMPLNLGQSA-N -1 0 335.400 3.722 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC000405299246 973820250 /nfs/dbraw/zinc/82/02/50/973820250.db2.gz HRCSGMWLZCNYTK-LLVKDONJSA-N -1 0 344.333 3.636 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)[C@@H](C)CSCc2ccccc2)C1 ZINC001603594449 973823623 /nfs/dbraw/zinc/82/36/23/973823623.db2.gz WQRQJQYCWDUPOQ-HNAYVOBHSA-N -1 0 349.496 3.659 20 0 EHADRM CON(C(=O)c1cc2sc3ccccc3c2s1)[C@H](C)C(=O)[O-] ZINC001604662301 973843243 /nfs/dbraw/zinc/84/32/43/973843243.db2.gz YPHBXTJPBYSUBB-MRVPVSSYSA-N -1 0 335.406 3.593 20 0 EHADRM CC[C@@](CNC(=O)[C@H](C)c1cccc(C)c1)(C(=O)[O-])c1ccccc1 ZINC000414445115 973938527 /nfs/dbraw/zinc/93/85/27/973938527.db2.gz VXJCMAXNOPVZOB-IERDGZPVSA-N -1 0 339.435 3.647 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cnc(C(C)(C)C)s2)cc1 ZINC000414453514 973939773 /nfs/dbraw/zinc/93/97/73/973939773.db2.gz RAZVMLMKDBFFKE-JTQLQIEISA-N -1 0 332.425 3.881 20 0 EHADRM Cc1nn(C(C)C)cc1CNc1cc(C(=O)[O-])ccc1OC(C)C ZINC000417564922 973962013 /nfs/dbraw/zinc/96/20/13/973962013.db2.gz JUOJNCXWCGBDIE-UHFFFAOYSA-N -1 0 331.416 3.870 20 0 EHADRM C[C@@H](Cc1ccc(NCc2cnc(C(C)(C)C)nc2)cc1)C(=O)[O-] ZINC000417610173 973965686 /nfs/dbraw/zinc/96/56/86/973965686.db2.gz MQIUMVVGUYTYDI-ZDUSSCGKSA-N -1 0 327.428 3.649 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)c1 ZINC001606508554 973999047 /nfs/dbraw/zinc/99/90/47/973999047.db2.gz PHKPFJQYKNEYKQ-UHFFFAOYSA-N -1 0 332.359 3.623 20 0 EHADRM CC(C)Oc1ccc(NC(=O)NCCC(C)(C)C(=O)[O-])c(Cl)c1 ZINC000424391893 974026103 /nfs/dbraw/zinc/02/61/03/974026103.db2.gz ROKHJZCSSKWKGD-UHFFFAOYSA-N -1 0 342.823 3.750 20 0 EHADRM C[C@@H]1CCCC[C@H]1C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC000425236807 974039351 /nfs/dbraw/zinc/03/93/51/974039351.db2.gz GDIQTCHYTKUFQI-VDNDLQMASA-N -1 0 349.858 3.793 20 0 EHADRM Cc1cc(Br)ccc1C[NH2+]Cc1cccc(C(=O)[O-])c1 ZINC000426690038 974043713 /nfs/dbraw/zinc/04/37/13/974043713.db2.gz YEGWXYQPJPXSHV-UHFFFAOYSA-N -1 0 334.213 3.746 20 0 EHADRM CC[C@@H](C)[C@H](C)C(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000431460270 974065506 /nfs/dbraw/zinc/06/55/06/974065506.db2.gz VFLONKLEFSVTBY-NEPJUHHUSA-N -1 0 345.361 3.801 20 0 EHADRM Cc1cc2[nH]c(C(=O)N(C)C3(C(=O)[O-])CCCCC3)cc2c(C)c1 ZINC000431988482 974080996 /nfs/dbraw/zinc/08/09/96/974080996.db2.gz VBANDEGDQRIFML-UHFFFAOYSA-N -1 0 328.412 3.644 20 0 EHADRM C[C@]1(NC(=O)CSc2ccccc2Cl)CCCC[C@@H]1C(=O)[O-] ZINC000432124245 974090116 /nfs/dbraw/zinc/09/01/16/974090116.db2.gz YTCXSVHEYAPOBD-BZNIZROVSA-N -1 0 341.860 3.582 20 0 EHADRM Cc1cc2[nH]c(C(=O)N[C@@]3(C)CCCC[C@H]3C(=O)[O-])cc2c(C)c1 ZINC000432127547 974090302 /nfs/dbraw/zinc/09/03/02/974090302.db2.gz GUMHXNXCQWAYGT-LIRRHRJNSA-N -1 0 328.412 3.548 20 0 EHADRM COc1ccc(Br)c(/C=C\c2ncc(C(=O)[O-])s2)c1 ZINC000439157326 974106259 /nfs/dbraw/zinc/10/62/59/974106259.db2.gz YAEORHPEIGFPNG-DJWKRKHSSA-N -1 0 340.198 3.783 20 0 EHADRM CC1(C)CC[C@@H](CNC(=O)c2ccc(C(=O)[O-])o2)c2ccccc21 ZINC000439716109 974108266 /nfs/dbraw/zinc/10/82/66/974108266.db2.gz HBBKOSPPSNGOSH-LBPRGKRZSA-N -1 0 327.380 3.563 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000439707517 974108720 /nfs/dbraw/zinc/10/87/20/974108720.db2.gz MUGGSXZKMIEHGQ-BBRMVZONSA-N -1 0 341.432 3.630 20 0 EHADRM CCc1ccccc1C(=O)N[C@@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC000448989450 974129035 /nfs/dbraw/zinc/12/90/35/974129035.db2.gz GTTHWLXOYIZARZ-IBGZPJMESA-N -1 0 329.371 3.508 20 0 EHADRM CCCCS[C@@H](C)C(=O)N[C@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC000448993727 974133196 /nfs/dbraw/zinc/13/31/96/974133196.db2.gz NMIAKDZLBDTVQD-YVEFUNNKSA-N -1 0 341.448 3.554 20 0 EHADRM CCC(C)(C)OCc1ccccc1NC(=O)N1CCC(C(=O)[O-])CC1 ZINC001604897269 974154386 /nfs/dbraw/zinc/15/43/86/974154386.db2.gz MGOSSSGGTYSMQQ-UHFFFAOYSA-N -1 0 348.443 3.720 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1sc(CC(C)C)nc1C ZINC000455888235 974163524 /nfs/dbraw/zinc/16/35/24/974163524.db2.gz ZVHFUNMIPFRSLU-UHFFFAOYSA-N -1 0 348.424 3.609 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N[C@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000455894502 974164516 /nfs/dbraw/zinc/16/45/16/974164516.db2.gz BOQWWPHNNOJJFN-CXAGYDPISA-N -1 0 345.826 3.710 20 0 EHADRM O=C([O-])c1ccc([C@@H](NC(=O)C2CCCCC2)C(F)(F)F)cc1 ZINC000455929636 974171468 /nfs/dbraw/zinc/17/14/68/974171468.db2.gz NRWCHLZMVVBTSY-CYBMUJFWSA-N -1 0 329.318 3.685 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)c1 ZINC000467943436 974193178 /nfs/dbraw/zinc/19/31/78/974193178.db2.gz OPLIYGCKAWBHAM-UGKGYDQZSA-N -1 0 349.430 3.937 20 0 EHADRM CCN(Cc1cccc(Cl)c1)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001603749489 974193362 /nfs/dbraw/zinc/19/33/62/974193362.db2.gz JVIMYFYHLYYGDU-VQHVLOKHSA-N -1 0 333.771 3.693 20 0 EHADRM CC(C)c1sc(NC(=O)C2(C(=O)[O-])CC2)nc1-c1ccccc1 ZINC000517747099 974318922 /nfs/dbraw/zinc/31/89/22/974318922.db2.gz NKJOWDMZJSIDBD-UHFFFAOYSA-N -1 0 330.409 3.737 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000517962132 974321137 /nfs/dbraw/zinc/32/11/37/974321137.db2.gz RJKXIJFUTCZJPH-HOTGVXAUSA-N -1 0 339.435 3.824 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCc2c(Cl)cc(Cl)cc2[C@H]1C ZINC000518562730 974324548 /nfs/dbraw/zinc/32/45/48/974324548.db2.gz NIICNJZHHSUFKL-VHSXEESVSA-N -1 0 344.238 3.940 20 0 EHADRM CCC[C@@H]1CCC[C@H]1C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000519427067 974329666 /nfs/dbraw/zinc/32/96/66/974329666.db2.gz XLRFOGRTNMWXMY-SJLPKXTDSA-N -1 0 347.455 3.763 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)NC[C@H](CC3CC3)C(=O)[O-])s2)o1 ZINC000519715121 974333515 /nfs/dbraw/zinc/33/35/15/974333515.db2.gz WGLWUAFEKZVPKM-LBPRGKRZSA-N -1 0 333.409 3.547 20 0 EHADRM Cc1nc(-c2cccc(C(=O)N(C)[C@@H](CC(C)C)C(=O)[O-])c2)cs1 ZINC000520430764 974339219 /nfs/dbraw/zinc/33/92/19/974339219.db2.gz LKGQOOFSTVWJIW-INIZCTEOSA-N -1 0 346.452 3.690 20 0 EHADRM Cc1cc2cc(C(=O)NC3(CC(=O)[O-])CCCCC3)oc2cc1C ZINC000532260031 974373721 /nfs/dbraw/zinc/37/37/21/974373721.db2.gz OSJQSGSXILXSCG-UHFFFAOYSA-N -1 0 329.396 3.957 20 0 EHADRM O=C([O-])CC1(CNC(=O)C/C=C/c2ccc(F)cc2)CCCCC1 ZINC000538577639 974391813 /nfs/dbraw/zinc/39/18/13/974391813.db2.gz WNANHFVHUMRXDU-SNAWJCMRSA-N -1 0 333.403 3.770 20 0 EHADRM CCC[C@H](C(=O)N1CCc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000538579431 974392005 /nfs/dbraw/zinc/39/20/05/974392005.db2.gz ZEEYGCFDLRCURF-IBGZPJMESA-N -1 0 337.419 3.853 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])o1)c1cc(F)c(Cl)cc1Cl ZINC000539677698 974400295 /nfs/dbraw/zinc/40/02/95/974400295.db2.gz IAEDFYVPMJQAQR-LURJTMIESA-N -1 0 346.141 3.915 20 0 EHADRM CCc1ccc([C@@H](C)NC(=O)N2CCC[C@@](CC)(C(=O)[O-])C2)cc1 ZINC001603975538 974468758 /nfs/dbraw/zinc/46/87/58/974468758.db2.gz STBNOVDIVDMPJW-AUUYWEPGSA-N -1 0 332.444 3.596 20 0 EHADRM O=C([O-])CCC(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 ZINC000552550258 974480521 /nfs/dbraw/zinc/48/05/21/974480521.db2.gz OZAVRJIPYPBKBD-UHFFFAOYSA-N -1 0 349.333 3.682 20 0 EHADRM C[C@]1(NC(=O)CCc2ccc(C(=O)[O-])cc2)CCCc2ccccc21 ZINC000557967993 974491941 /nfs/dbraw/zinc/49/19/41/974491941.db2.gz XWVCLAIAAOJKET-NRFANRHFSA-N -1 0 337.419 3.685 20 0 EHADRM COCc1cc(NC(=O)c2sc(C(C)C)nc2C)cc(C(=O)[O-])c1 ZINC000562351376 974505554 /nfs/dbraw/zinc/50/55/54/974505554.db2.gz SSEFOIOBYDVOEJ-UHFFFAOYSA-N -1 0 348.424 3.672 20 0 EHADRM CCn1c(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc2ccccc21 ZINC001604003186 974507335 /nfs/dbraw/zinc/50/73/35/974507335.db2.gz PLRBJYCZYNVDGK-AEGPPILISA-N -1 0 342.439 3.526 20 0 EHADRM O=C([O-])c1cccc(CN2CCOC[C@H]2c2ccccc2)c1Cl ZINC000565898387 974590477 /nfs/dbraw/zinc/59/04/77/974590477.db2.gz ISDCNLVMMIPCNU-INIZCTEOSA-N -1 0 331.799 3.612 20 0 EHADRM CC(C)COc1ccc(NC(=O)C[C@@H](C)CC(=O)[O-])cc1Cl ZINC000567406910 974633885 /nfs/dbraw/zinc/63/38/85/974633885.db2.gz WQUWEBAZJMQQNR-LLVKDONJSA-N -1 0 327.808 3.814 20 0 EHADRM O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)CC/C=C/c2ccccc2)C1 ZINC000567504347 974635693 /nfs/dbraw/zinc/63/56/93/974635693.db2.gz KUAXNHNTRNYPKV-ICKBMGCOSA-N -1 0 349.430 3.735 20 0 EHADRM CC(C)Oc1ccc2ccccc2c1CNC(=O)C[C@H](C)CC(=O)[O-] ZINC000571896198 974738455 /nfs/dbraw/zinc/73/84/55/974738455.db2.gz ZFEMTXRLKJNYPZ-AWEZNQCLSA-N -1 0 343.423 3.744 20 0 EHADRM CC(C)(c1ccccc1)C1(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000572424422 974747865 /nfs/dbraw/zinc/74/78/65/974747865.db2.gz GNBLQZWIWLQFFZ-CABCVRRESA-N -1 0 329.440 3.504 20 0 EHADRM C[C@H](c1ccc(C(=O)[O-])o1)N(C)Cc1ccc(Br)o1 ZINC000575322502 974798316 /nfs/dbraw/zinc/79/83/16/974798316.db2.gz JOGMLXKPBSOVLG-MRVPVSSYSA-N -1 0 328.162 3.526 20 0 EHADRM C[C@@H](NCc1ccc(OC(F)(F)F)cc1)c1ncc(C(=O)[O-])s1 ZINC000575749753 974801068 /nfs/dbraw/zinc/80/10/68/974801068.db2.gz XREOLEFJMMPECK-MRVPVSSYSA-N -1 0 346.330 3.591 20 0 EHADRM Cc1c2ccc(N)cc2nn1-c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001211487874 1014217104 /nfs/dbraw/zinc/21/71/04/1014217104.db2.gz UGIXNRWCSBAZCV-UHFFFAOYSA-N -1 0 335.285 3.633 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)CCCc2ccc(F)cc2)cc1 ZINC000577294855 974833073 /nfs/dbraw/zinc/83/30/73/974833073.db2.gz QOIPHHNIBSVAMR-UHFFFAOYSA-N -1 0 329.371 3.804 20 0 EHADRM Cc1ccc([C@@H]2COCCN2Cc2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC000579240238 974871514 /nfs/dbraw/zinc/87/15/14/974871514.db2.gz GORUEOFYCQJGGY-HNNXBMFYSA-N -1 0 335.787 3.513 20 0 EHADRM CCN(CCOc1cccc(C(=O)[O-])c1)Cc1c(F)cccc1F ZINC000580202091 974890903 /nfs/dbraw/zinc/89/09/03/974890903.db2.gz QZKMCXUVOGVAHQ-UHFFFAOYSA-N -1 0 335.350 3.564 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1C ZINC000107963665 1014221367 /nfs/dbraw/zinc/22/13/67/1014221367.db2.gz DDRACFIULKDDEM-IZHWHUGBSA-N -1 0 347.455 3.770 20 0 EHADRM CC(C)c1cccc(-c2ccc(C(=O)NC3(CC(=O)[O-])CC3)o2)c1 ZINC000582909698 974933090 /nfs/dbraw/zinc/93/30/90/974933090.db2.gz RDKLTOBJOHSKBL-UHFFFAOYSA-N -1 0 327.380 3.807 20 0 EHADRM C/C(=C/c1ccccc1Cl)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000588593252 974965731 /nfs/dbraw/zinc/96/57/31/974965731.db2.gz ZTDGNEYSSNRCEO-FZDNWWAKSA-N -1 0 335.831 3.847 20 0 EHADRM CSCC1(CC(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000593698066 974983066 /nfs/dbraw/zinc/98/30/66/974983066.db2.gz OPIFGTYLHPHTCJ-ZDUSSCGKSA-N -1 0 341.860 3.505 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1ccccc1Cc1ccccc1 ZINC000597026086 975000424 /nfs/dbraw/zinc/00/04/24/975000424.db2.gz LGBFLEOUNZWTGH-KGLIPLIRSA-N -1 0 343.448 3.811 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cc(-c2ccccc2F)on1 ZINC000615939101 975023540 /nfs/dbraw/zinc/02/35/40/975023540.db2.gz RQPMGEIQYNAZNT-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM Cc1nc(-c2ccccc2)ccc1C(=O)N1CCCCC[C@H]1C(=O)[O-] ZINC000621568430 975035483 /nfs/dbraw/zinc/03/54/83/975035483.db2.gz WBTNMYUWFLSMHU-SFHVURJKSA-N -1 0 338.407 3.526 20 0 EHADRM Cc1ccccc1C(C)(C)C(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000621578679 975039220 /nfs/dbraw/zinc/03/92/20/975039220.db2.gz BNUKTYFBTURTPN-UHFFFAOYSA-N -1 0 337.419 3.556 20 0 EHADRM Cc1cccc2sc(C(=O)N(CC(=O)[O-])C(C)C)c(Cl)c21 ZINC000621583754 975043804 /nfs/dbraw/zinc/04/38/04/975043804.db2.gz ORNAEKGVVSSGDU-UHFFFAOYSA-N -1 0 325.817 3.798 20 0 EHADRM CCC(CC)[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1ccccc1 ZINC000626745126 975068001 /nfs/dbraw/zinc/06/80/01/975068001.db2.gz DWWVRACYGOOHPF-QGTPRVQTSA-N -1 0 346.471 3.916 20 0 EHADRM CC(C)(C)c1cc(CN2CCC(c3ncc(C(=O)[O-])s3)CC2)no1 ZINC000629371625 975087148 /nfs/dbraw/zinc/08/71/48/975087148.db2.gz RUTGUOFEHCBVBJ-UHFFFAOYSA-N -1 0 349.456 3.506 20 0 EHADRM Cc1cc(C(=O)N2CCCC[C@@H]2Cc2ccccc2)oc1C(=O)[O-] ZINC000630115104 975107757 /nfs/dbraw/zinc/10/77/57/975107757.db2.gz CDLKXNDVQCLQQP-OAHLLOKOSA-N -1 0 327.380 3.524 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)C1(C(F)F)CCC1 ZINC000630137799 975122084 /nfs/dbraw/zinc/12/20/84/975122084.db2.gz WBXRCAUEENJPGJ-UHFFFAOYSA-N -1 0 339.363 3.651 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@@H]2CCc2ccccc2)oc1C(=O)[O-] ZINC000630149915 975130704 /nfs/dbraw/zinc/13/07/04/975130704.db2.gz QCGFLIHFBIKGER-OAHLLOKOSA-N -1 0 327.380 3.524 20 0 EHADRM COc1ccc2cc(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)sc2c1 ZINC000630161449 975136633 /nfs/dbraw/zinc/13/66/33/975136633.db2.gz ZVEOSPSIGXYYJS-GFCCVEGCSA-N -1 0 347.436 3.627 20 0 EHADRM Cc1ccc(C)c(S([O-])=CC(=O)N[C@H](C)c2ccccc2Cl)c1 ZINC000107966706 1014239040 /nfs/dbraw/zinc/23/90/40/1014239040.db2.gz NGCQDBUCQWSTCD-FATZIPQQSA-N -1 0 349.883 3.942 20 0 EHADRM CCC[C@@H](OCC)C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000630189818 975149166 /nfs/dbraw/zinc/14/91/66/975149166.db2.gz NCEWZBGIFVUVLS-ZWKOTPCHSA-N -1 0 343.423 3.677 20 0 EHADRM CCC[C@H](C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1)c1ccccn1 ZINC000630194712 975152470 /nfs/dbraw/zinc/15/24/70/975152470.db2.gz TURUIBQYSZHDNM-BBRMVZONSA-N -1 0 326.396 3.792 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)CCc1ccc(C(F)F)cc1)C(=O)[O-] ZINC000630201419 975157875 /nfs/dbraw/zinc/15/78/75/975157875.db2.gz TXSMYZWBGAMSEK-SMDDNHRTSA-N -1 0 327.371 3.562 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)NCc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC000630234445 975181218 /nfs/dbraw/zinc/18/12/18/975181218.db2.gz MHEYSSMPMOVHHH-MGPUTAFESA-N -1 0 339.435 3.760 20 0 EHADRM CCC1(C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)CCC(F)(F)CC1 ZINC000630264193 975207274 /nfs/dbraw/zinc/20/72/74/975207274.db2.gz CDAQMMWXQRJOGS-CQSZACIVSA-N -1 0 345.430 3.989 20 0 EHADRM C[C@@H]1CC[C@H](CCC(=O)Nc2ccc(C(=O)[O-])c3ccccc23)O1 ZINC000630285960 975230295 /nfs/dbraw/zinc/23/02/95/975230295.db2.gz FYDGYVBBOPCQKK-CHWSQXEVSA-N -1 0 327.380 3.824 20 0 EHADRM COc1cc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)ccc1C(F)(F)F ZINC000630292180 975233661 /nfs/dbraw/zinc/23/36/61/975233661.db2.gz KXLUXKGFQMMTIT-NXEZZACHSA-N -1 0 345.317 3.544 20 0 EHADRM Cc1ccc(SC[C@@H](C)NC(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000630297141 975237211 /nfs/dbraw/zinc/23/72/11/975237211.db2.gz LXSKYXJHCOZUDB-CQSZACIVSA-N -1 0 343.448 3.533 20 0 EHADRM CC(C)c1ccc(C[C@@H]2CCN(C(=O)CCCCC(=O)[O-])C2)cc1 ZINC000630299967 975238850 /nfs/dbraw/zinc/23/88/50/975238850.db2.gz WZBHNFRXRXWLEL-KRWDZBQOSA-N -1 0 331.456 3.846 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000630302060 975240358 /nfs/dbraw/zinc/24/03/58/975240358.db2.gz TUKOYPAFYVVNST-HNNXBMFYSA-N -1 0 349.333 3.932 20 0 EHADRM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)C[C@H](C)C1CCCCC1 ZINC000630332825 975261693 /nfs/dbraw/zinc/26/16/93/975261693.db2.gz MGMQKDHXFSHEHA-LBPRGKRZSA-N -1 0 335.448 3.520 20 0 EHADRM C[C@H](NCc1csc(C(F)(F)F)c1)c1ncc(C(=O)[O-])s1 ZINC000630461687 975265406 /nfs/dbraw/zinc/26/54/06/975265406.db2.gz HGACIWCEEGKJJF-LURJTMIESA-N -1 0 336.360 3.772 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2coc3ccc(F)cc32)C1 ZINC000649248140 975387176 /nfs/dbraw/zinc/38/71/76/975387176.db2.gz ZPICGVQJZMXQSS-NSHDSACASA-N -1 0 333.359 3.535 20 0 EHADRM Cc1ccc2cc(Cl)cc(C(=O)N3CC[C@@H](C)C[C@H]3C(=O)[O-])c2n1 ZINC000649251318 975389096 /nfs/dbraw/zinc/38/90/96/975389096.db2.gz VNZUMYOGZSGURV-BMIGLBTASA-N -1 0 346.814 3.522 20 0 EHADRM CC(C)Nc1cc(F)ccc1NC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001591668229 975424171 /nfs/dbraw/zinc/42/41/71/975424171.db2.gz VHWDLCRRRIXJMO-XQRVVYSFSA-N -1 0 332.331 3.589 20 0 EHADRM O=C([O-])c1cnc(N2CCS[C@@H](c3ccccc3)C2)c(Cl)c1 ZINC000650775976 975452583 /nfs/dbraw/zinc/45/25/83/975452583.db2.gz JEQQGNPXTXJYCT-CQSZACIVSA-N -1 0 334.828 3.728 20 0 EHADRM CC(C)O[C@H](C(=O)Nc1ccc(CC(=O)[O-])c(F)c1)c1ccccc1 ZINC001591685904 975487113 /nfs/dbraw/zinc/48/71/13/975487113.db2.gz DVCGDXSGADADMQ-SFHVURJKSA-N -1 0 345.370 3.558 20 0 EHADRM CC1(C)C[C@@H](NC(=O)c2ccc(C(=O)[O-])s2)c2cc(F)ccc2O1 ZINC000652121051 975508543 /nfs/dbraw/zinc/50/85/43/975508543.db2.gz UBXGJVJDZUJMOS-LLVKDONJSA-N -1 0 349.383 3.618 20 0 EHADRM O=C([O-])[C@@H](c1ccsc1)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000652434640 975530648 /nfs/dbraw/zinc/53/06/48/975530648.db2.gz AHEMWQGLICAWAO-IUODEOHRSA-N -1 0 337.828 3.681 20 0 EHADRM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000274571672 1014266337 /nfs/dbraw/zinc/26/63/37/1014266337.db2.gz FRMROUQBYASRNS-ZETCQYMHSA-N -1 0 325.771 3.657 20 0 EHADRM Cc1cc(C)c(CC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c(C)c1 ZINC000653328985 975589575 /nfs/dbraw/zinc/58/95/75/975589575.db2.gz PSUNWLPJXMQZBE-MOPGFXCFSA-N -1 0 337.419 3.584 20 0 EHADRM C[C@@H]1CN(C(=O)c2cccc(CC(=O)[O-])c2)CC[C@@H]1c1ccccc1 ZINC000653641739 975609469 /nfs/dbraw/zinc/60/94/69/975609469.db2.gz VXROAJHMGOJUSH-BEFAXECRSA-N -1 0 337.419 3.580 20 0 EHADRM O=C([O-])c1occc1CN1CCc2ccc(Cl)c(Cl)c2C1 ZINC000656759201 975686463 /nfs/dbraw/zinc/68/64/63/975686463.db2.gz XOHWGOOZLXLVHO-UHFFFAOYSA-N -1 0 326.179 3.843 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000659121190 975720156 /nfs/dbraw/zinc/72/01/56/975720156.db2.gz RDIKVEMHZDOLSA-GOSISDBHSA-N -1 0 345.826 3.795 20 0 EHADRM CC[C@@H](NC(=O)C1(C(=O)[O-])CC2(CCC2)C1)c1ccc(F)cc1F ZINC000659122936 975723265 /nfs/dbraw/zinc/72/32/65/975723265.db2.gz QJFAJLMFMRDWJR-CQSZACIVSA-N -1 0 337.366 3.567 20 0 EHADRM CO[C@H](C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C)C1CCCCC1 ZINC000659124131 975724652 /nfs/dbraw/zinc/72/46/52/975724652.db2.gz JOYHBXKREUKBPO-KRWDZBQOSA-N -1 0 349.427 3.706 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C[C@]12CCCC[C@H]1C2(F)F ZINC000659129924 975729609 /nfs/dbraw/zinc/72/96/09/975729609.db2.gz BSYHXRODYBTDLV-RHSMWYFYSA-N -1 0 337.366 3.559 20 0 EHADRM CC1(C)C[C@@]1(C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000659144838 975744365 /nfs/dbraw/zinc/74/43/65/975744365.db2.gz ZTPGDIXJBQPTQN-GCJKJVERSA-N -1 0 349.430 3.565 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)[C@H]2CCC[C@H]2Cc2ccccc2)s1 ZINC000659159100 975758093 /nfs/dbraw/zinc/75/80/93/975758093.db2.gz VJFLAXISMADVHV-HOCLYGCPSA-N -1 0 343.448 3.722 20 0 EHADRM CC[C@@](CNC(=O)[C@@H]1CCCC2(CC2)C1)(C(=O)[O-])c1ccccc1 ZINC000659161109 975760496 /nfs/dbraw/zinc/76/04/96/975760496.db2.gz RCUQSDROUPBLNR-QRWLVFNGSA-N -1 0 329.440 3.506 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2)CC1 ZINC000659166010 975766063 /nfs/dbraw/zinc/76/60/63/975766063.db2.gz FLWUQWJOTCKVNA-XYPYZODXSA-N -1 0 330.211 3.501 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC000659208218 975819161 /nfs/dbraw/zinc/81/91/61/975819161.db2.gz GDQNXVSKTZQYNG-NSHDSACASA-N -1 0 341.860 3.683 20 0 EHADRM Cc1cccc2c1CCC[C@H]2NC(=O)CCc1ccccc1C(=O)[O-] ZINC000659235493 975843561 /nfs/dbraw/zinc/84/35/61/975843561.db2.gz YKSCPEKQOIWQHR-LJQANCHMSA-N -1 0 337.419 3.820 20 0 EHADRM CC(C)Oc1ccc(C(=O)Nc2c(F)ccc(F)c2C(=O)[O-])cc1 ZINC001591762117 975856948 /nfs/dbraw/zinc/85/69/48/975856948.db2.gz WVEOQFWESRYQHG-UHFFFAOYSA-N -1 0 335.306 3.703 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NC1(C2(C)CC2)CC1 ZINC001591767178 975878286 /nfs/dbraw/zinc/87/82/86/975878286.db2.gz IXDJDSPTGXETQM-UHFFFAOYSA-N -1 0 332.400 3.626 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NC[C@@H]1C[C@@H]1[C@H]1C[C@H]1C ZINC001591768077 975887672 /nfs/dbraw/zinc/88/76/72/975887672.db2.gz ZAWBMBOWUWATGJ-UNQGMJICSA-N -1 0 346.427 3.586 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1Cc1ncc(Cl)cc1Cl ZINC000662238546 975910604 /nfs/dbraw/zinc/91/06/04/975910604.db2.gz SFGHFZGVRMCNDP-OAHLLOKOSA-N -1 0 337.206 3.572 20 0 EHADRM CC(C)Oc1ccc(NC(=O)/C=C\c2cccc(O)c2)c(C(=O)[O-])c1 ZINC001591780203 975944440 /nfs/dbraw/zinc/94/44/40/975944440.db2.gz FRTCFEKRYDMLSQ-TWGQIWQCSA-N -1 0 341.363 3.530 20 0 EHADRM C[C@@H]1C[C@H]1[C@@H](NC(=O)NCCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000666530971 975965976 /nfs/dbraw/zinc/96/59/76/975965976.db2.gz LHAHXPYTUKAIJO-XFJVYGCCSA-N -1 0 338.835 3.591 20 0 EHADRM C[C@@H]1C[C@H]1[C@H](NC(=O)NCCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000666530969 975966003 /nfs/dbraw/zinc/96/60/03/975966003.db2.gz LHAHXPYTUKAIJO-DJSGYFEHSA-N -1 0 338.835 3.591 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cccc([C@@H]2CCCOC2)c1 ZINC000668273049 975979587 /nfs/dbraw/zinc/97/95/87/975979587.db2.gz RHOYWMWYCJTXEG-QGZVFWFLSA-N -1 0 339.391 3.840 20 0 EHADRM CO[C@@H]1CCC[C@H](CC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000668272578 975979768 /nfs/dbraw/zinc/97/97/68/975979768.db2.gz HTWQEXARNOXCOG-CMPLNLGQSA-N -1 0 325.792 3.572 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)Cc3ccccc3C(=O)[O-])C2)cc1 ZINC000668300196 975991506 /nfs/dbraw/zinc/99/15/06/975991506.db2.gz DJAAMMGEIXSMRH-MAUKXSAKSA-N -1 0 337.419 3.640 20 0 EHADRM CC(C)Oc1cccc(CC(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC001591792102 975993448 /nfs/dbraw/zinc/99/34/48/975993448.db2.gz FLPGXZFPHOYGJY-GFCCVEGCSA-N -1 0 332.352 3.612 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000668304550 975993713 /nfs/dbraw/zinc/99/37/13/975993713.db2.gz PVRLVAHKBDNGQA-DLBZAZTESA-N -1 0 343.810 3.643 20 0 EHADRM O=C([O-])c1coc(C(=O)N2CCC[C@H](c3ccc(F)cc3)CC2)c1 ZINC000668314126 975993774 /nfs/dbraw/zinc/99/37/74/975993774.db2.gz IGWRKGTUWFVHQX-LBPRGKRZSA-N -1 0 331.343 3.527 20 0 EHADRM CC(C)Oc1ccccc1C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001591795678 976001049 /nfs/dbraw/zinc/00/10/49/976001049.db2.gz DIHDHMPTWDGDMW-UHFFFAOYSA-N -1 0 348.424 3.545 20 0 EHADRM C[C@H](Cc1ccc(NCc2ncccc2C(F)(F)F)cc1)C(=O)[O-] ZINC000669478103 976005940 /nfs/dbraw/zinc/00/59/40/976005940.db2.gz HJLOIVQTMZYNIO-LLVKDONJSA-N -1 0 338.329 3.976 20 0 EHADRM Cc1oc(CN(C)C(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)cc1C(=O)[O-] ZINC000676002485 976026932 /nfs/dbraw/zinc/02/69/32/976026932.db2.gz RJJUAQIYAVUCGZ-IAQYHMDHSA-N -1 0 345.395 3.594 20 0 EHADRM O=C([O-])C1(CNC(=O)Cc2ccc(-c3ccccc3)cc2)CCCC1 ZINC000676024676 976028203 /nfs/dbraw/zinc/02/82/03/976028203.db2.gz RMCFZWZJIGVNBM-UHFFFAOYSA-N -1 0 337.419 3.657 20 0 EHADRM CC(C)Oc1ncc(C(=O)OCc2cccc(C(=O)[O-])c2)cc1Cl ZINC001591811251 976043012 /nfs/dbraw/zinc/04/30/12/976043012.db2.gz GQQIDXIPCIKROH-UHFFFAOYSA-N -1 0 349.770 3.577 20 0 EHADRM Cc1ccc(C(C)(C)C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000679102831 976044628 /nfs/dbraw/zinc/04/46/28/976044628.db2.gz IFJIVVYGCDVHJA-MRXNPFEDSA-N -1 0 331.456 3.622 20 0 EHADRM CC(C)Oc1ncc(Cl)cc1N[C@@H]1CC[C@H](CC(=O)[O-])[C@H]1C ZINC001591811728 976048003 /nfs/dbraw/zinc/04/80/03/976048003.db2.gz UVNRZGVALFUTHD-NQBHXWOUSA-N -1 0 326.824 3.824 20 0 EHADRM CC[C@@H](C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccc(F)cc1 ZINC000683323537 976086027 /nfs/dbraw/zinc/08/60/27/976086027.db2.gz CKJZJMOGPVMFQS-GDBMZVCRSA-N -1 0 335.419 3.669 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)CNc2ccccc2Cl)cc1)C(=O)[O-] ZINC000683331949 976089530 /nfs/dbraw/zinc/08/95/30/976089530.db2.gz VXWYOLGDOAVALT-LBPRGKRZSA-N -1 0 346.814 3.654 20 0 EHADRM C[C@]1(NC(=O)c2cc3cc(Cl)ccc3[nH]2)CCCC[C@H]1C(=O)[O-] ZINC000683332735 976089759 /nfs/dbraw/zinc/08/97/59/976089759.db2.gz LAXQQUOETVXRJK-SJCJKPOMSA-N -1 0 334.803 3.585 20 0 EHADRM CC(C)c1cc(C(=O)Nc2ccc(C(=O)[O-])nc2)c(O)c(C(C)C)c1 ZINC001591931005 976429965 /nfs/dbraw/zinc/42/99/65/976429965.db2.gz KYIVBWNELPYDPK-UHFFFAOYSA-N -1 0 342.395 3.985 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])c(O)c1 ZINC001591942116 976465651 /nfs/dbraw/zinc/46/56/51/976465651.db2.gz MBNJFQINOJJMRR-INIZCTEOSA-N -1 0 333.428 3.669 20 0 EHADRM CC(C)c1ccc(-n2ccnc2SCCCC(=O)C(=O)[O-])cc1 ZINC001591943916 976486580 /nfs/dbraw/zinc/48/65/80/976486580.db2.gz ZOEZUNJMHHFTFY-UHFFFAOYSA-N -1 0 332.425 3.522 20 0 EHADRM CC(C)c1ccc(C2(C(=O)NCc3ccc(C(=O)[O-])o3)CCC2)cc1 ZINC001591948870 976503056 /nfs/dbraw/zinc/50/30/56/976503056.db2.gz MXAHOTHONQSPPK-UHFFFAOYSA-N -1 0 341.407 3.839 20 0 EHADRM CC(C)c1ccc(C2(C(=O)N3CCC(CC(=O)[O-])CC3)CCC2)cc1 ZINC001591948984 976503617 /nfs/dbraw/zinc/50/36/17/976503617.db2.gz OBZVFFKNXNOWIU-UHFFFAOYSA-N -1 0 343.467 3.945 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)NCc2ccc(C(=O)[O-])nc2)cc1 ZINC001591949349 976507205 /nfs/dbraw/zinc/50/72/05/976507205.db2.gz VLDSHQDBFPJPHV-ARJAWSKDSA-N -1 0 338.407 3.623 20 0 EHADRM CC(C)c1ccc(CCCNC(=O)N2CCC[C@@](C)(C(=O)[O-])C2)cc1 ZINC001591953391 976518176 /nfs/dbraw/zinc/51/81/76/976518176.db2.gz ZWYUQXFLQDKSGN-HXUWFJFHSA-N -1 0 346.471 3.639 20 0 EHADRM CC(C)c1ccc(NC(=O)C[C@H](O)c2cccc(F)c2)c(C(=O)[O-])c1 ZINC001591962220 976545714 /nfs/dbraw/zinc/54/57/14/976545714.db2.gz DYBNCXNRVYMBRV-KRWDZBQOSA-N -1 0 345.370 3.710 20 0 EHADRM CC(C)c1ccc(NC(=O)CCc2ccccc2O)c(C(=O)[O-])c1 ZINC001591962347 976548081 /nfs/dbraw/zinc/54/80/81/976548081.db2.gz JALOXJDFCMHTJJ-UHFFFAOYSA-N -1 0 327.380 3.785 20 0 EHADRM CC(C)c1ccc(NC(=O)/C=C\c2ccc(O)cc2)c(C(=O)[O-])c1 ZINC001591963025 976551667 /nfs/dbraw/zinc/55/16/67/976551667.db2.gz SPYFOTJSHIGJNG-YHYXMXQVSA-N -1 0 325.364 3.866 20 0 EHADRM CC(C)c1ccc(NC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c(C(C)C)c1 ZINC001591965274 976557619 /nfs/dbraw/zinc/55/76/19/976557619.db2.gz JJACNZYBBXFTOZ-QLPKVWCKSA-N -1 0 330.428 3.728 20 0 EHADRM CC(C)c1ccc(NC(=S)Nc2ccn(C(C)(C)C(=O)[O-])n2)cc1 ZINC001591968199 976565958 /nfs/dbraw/zinc/56/59/58/976565958.db2.gz KLHIHYDOGIPALR-UHFFFAOYSA-N -1 0 346.456 3.635 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)Nc1cc(C(=O)[O-])ccn1)CC2 ZINC001591973510 976576200 /nfs/dbraw/zinc/57/62/00/976576200.db2.gz CBLGYMRWCCAUKN-MRXNPFEDSA-N -1 0 339.395 3.712 20 0 EHADRM CC(C)c1ccc2occ(C(=O)NC[C@H](CC3CC3)C(=O)[O-])c2c1 ZINC001591981682 976598569 /nfs/dbraw/zinc/59/85/69/976598569.db2.gz WVPNPYHZUYQFAB-AWEZNQCLSA-N -1 0 329.396 3.787 20 0 EHADRM CC(C)c1cccc(CS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)c1 ZINC001591991782 976619471 /nfs/dbraw/zinc/61/94/71/976619471.db2.gz KCWAZWODMPIHRN-UHFFFAOYSA-N -1 0 332.421 3.623 20 0 EHADRM CC(C)c1cccc(NC(=O)CNc2cc(F)cc(C(=O)[O-])c2F)c1 ZINC001591992110 976622399 /nfs/dbraw/zinc/62/23/99/976622399.db2.gz RJXDXIMGJSKNHA-UHFFFAOYSA-N -1 0 348.349 3.837 20 0 EHADRM CC(C)c1cccc(NC(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001591992404 976625698 /nfs/dbraw/zinc/62/56/98/976625698.db2.gz ZTSRGOTUSSWELP-KRWDZBQOSA-N -1 0 344.386 3.939 20 0 EHADRM CC(C)c1cccc2c1N(C(=O)c1ccoc1CC(=O)[O-])CCC2 ZINC001591994208 976630099 /nfs/dbraw/zinc/63/00/99/976630099.db2.gz JKGGDFPRHXIMJD-UHFFFAOYSA-N -1 0 327.380 3.623 20 0 EHADRM CC(C)c1ccccc1Nc1ccc(C(=O)N2CC[C@@H]2C(=O)[O-])cc1 ZINC001591998620 976645423 /nfs/dbraw/zinc/64/54/23/976645423.db2.gz QDFBRXZQGSPMBD-GOSISDBHSA-N -1 0 338.407 3.853 20 0 EHADRM CC(C)c1cnc(SCC(=O)c2ccc(C(=O)[O-])o2)n1C(C)C ZINC001592002678 976652585 /nfs/dbraw/zinc/65/25/85/976652585.db2.gz MLPUFPFSBZMHEK-UHFFFAOYSA-N -1 0 336.413 3.854 20 0 EHADRM CC(C)c1ncncc1C(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001592042664 976770934 /nfs/dbraw/zinc/77/09/34/976770934.db2.gz QDAUQXNJKZTJCJ-UHFFFAOYSA-N -1 0 341.392 3.765 20 0 EHADRM CC(C)c1ocnc1C(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001592102693 976873263 /nfs/dbraw/zinc/87/32/63/976873263.db2.gz RROLIKLPAOQANL-AWEZNQCLSA-N -1 0 329.352 3.731 20 0 EHADRM CC(C)c1nsc(CN[C@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)n1 ZINC001592105391 976877560 /nfs/dbraw/zinc/87/75/60/976877560.db2.gz DZOYMTHXVUDWBY-KZULUSFZSA-N -1 0 345.468 3.629 20 0 EHADRM CC(C)c1oncc1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001592108073 976890776 /nfs/dbraw/zinc/89/07/76/976890776.db2.gz KQFHLBFRMKFDTL-UHFFFAOYSA-N -1 0 348.424 3.758 20 0 EHADRM CC(C)n1ncnc1CSCc1cccc(C(=O)[O-])c1Cl ZINC001592172083 977077422 /nfs/dbraw/zinc/07/74/22/977077422.db2.gz YPNRNPWIUZWNGS-UHFFFAOYSA-N -1 0 325.821 3.644 20 0 EHADRM C[C@H](C1CCCCC1)N(C)C(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001592181638 977109820 /nfs/dbraw/zinc/10/98/20/977109820.db2.gz PUNNGKAZRWNTBR-LIVBEALHSA-N -1 0 329.440 3.672 20 0 EHADRM C[C@@H](CC(=O)N1CCc2c1cccc2C(=O)[O-])c1ccccc1F ZINC001592236357 977444515 /nfs/dbraw/zinc/44/45/15/977444515.db2.gz OCCTYMREGBKUMF-LBPRGKRZSA-N -1 0 327.355 3.607 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)Nc1ccc(C(F)F)cc1)c1ccncc1 ZINC001592297523 977637712 /nfs/dbraw/zinc/63/77/12/977637712.db2.gz NMKAXVAZKLBILA-QGZVFWFLSA-N -1 0 349.337 3.531 20 0 EHADRM C[C@@](CC(=O)[O-])(NCc1cc(Cl)ccc1Cl)c1ccccn1 ZINC001592329125 977753388 /nfs/dbraw/zinc/75/33/88/977753388.db2.gz RKKQQFWOLROAJH-INIZCTEOSA-N -1 0 339.222 3.868 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1nc(-c2c(F)cccc2F)cs1 ZINC001592395455 977954010 /nfs/dbraw/zinc/95/40/10/977954010.db2.gz KWDJAKMQUHQUSJ-MRVPVSSYSA-N -1 0 340.351 3.528 20 0 EHADRM C[C@H](CC(=O)O[C@@H]1CCC[C@H](C(=O)[O-])C1)c1c[nH]c2ccccc21 ZINC001592429377 978054285 /nfs/dbraw/zinc/05/42/85/978054285.db2.gz KJNPQFXSOBTCPS-HZSPNIEDSA-N -1 0 329.396 3.848 20 0 EHADRM C[C@H](CC(N)=O)c1ccc(NCc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001592452618 978146306 /nfs/dbraw/zinc/14/63/06/978146306.db2.gz PNJYEQRECFOYKM-LLVKDONJSA-N -1 0 346.814 3.629 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)NCc1ccccc1CC(=O)[O-] ZINC001592490908 978282488 /nfs/dbraw/zinc/28/24/88/978282488.db2.gz HQHZNBLBKCMAQW-INIZCTEOSA-N -1 0 339.435 3.589 20 0 EHADRM C[C@H](CCNC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)CC(C)(C)C ZINC001592514155 978354832 /nfs/dbraw/zinc/35/48/32/978354832.db2.gz YQKJQGVVAZVBQI-CQSZACIVSA-N -1 0 334.460 3.989 20 0 EHADRM C[C@H](CCOC(=O)C12CCC(C(=O)[O-])(CC1)C2)OCc1ccccc1 ZINC001592529988 978391837 /nfs/dbraw/zinc/39/18/37/978391837.db2.gz XDENKSAZAIIEGV-APMMTJHUSA-N -1 0 346.423 3.560 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)O[C@H](C(=O)[O-])c1ccsc1 ZINC001592540115 978422195 /nfs/dbraw/zinc/42/21/95/978422195.db2.gz FXFLJOHLIYMIBO-NHYWBVRUSA-N -1 0 336.384 3.825 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)/C=C\c2ccnc3ccccc23)cc1 ZINC000588592305 1032093225 /nfs/dbraw/zinc/09/32/25/1032093225.db2.gz GEDOHWFVZMLNIF-HONFXZPPSA-N -1 0 344.370 3.985 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H]2CCCOc3ccccc32)c(F)c1 ZINC000739466695 978641656 /nfs/dbraw/zinc/64/16/56/978641656.db2.gz FWQBDEGVVGIFFE-AWEZNQCLSA-N -1 0 344.342 3.559 20 0 EHADRM Cc1cc2cc(NC(=O)Cn3cc(C(=O)[O-])c4ccccc43)ccc2[nH]1 ZINC000746331285 978681417 /nfs/dbraw/zinc/68/14/17/978681417.db2.gz RFVSFKJNYHJLBA-UHFFFAOYSA-N -1 0 347.374 3.768 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)/C(=C/c1ccc(F)cc1)c1cccs1 ZINC000746375243 978684840 /nfs/dbraw/zinc/68/48/40/978684840.db2.gz ZBNITBSDVWROJX-NTCAYCPXSA-N -1 0 347.411 3.751 20 0 EHADRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)/C=C/c1cccc(F)c1 ZINC000746377826 978684874 /nfs/dbraw/zinc/68/48/74/978684874.db2.gz WYYJGTHLVOAWAK-RMKNXTFCSA-N -1 0 347.773 3.606 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccccc2OCC2CC2)ccc1F ZINC000767089349 978734365 /nfs/dbraw/zinc/73/43/65/978734365.db2.gz MSNHPBBZMOTJQV-UHFFFAOYSA-N -1 0 329.327 3.565 20 0 EHADRM COc1cc(Cl)ccc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000773900554 978745021 /nfs/dbraw/zinc/74/50/21/978745021.db2.gz RBXLGICEWSGMKA-UHFFFAOYSA-N -1 0 325.792 3.712 20 0 EHADRM CC(C)(CNC(=O)C1(c2ccc(Cl)cc2)CCCCC1)C(=O)[O-] ZINC000781134485 978791045 /nfs/dbraw/zinc/79/10/45/978791045.db2.gz JCMNAJXMSAVIMZ-UHFFFAOYSA-N -1 0 337.847 3.769 20 0 EHADRM O=C([O-])c1ccc(/C=C2/C(=O)Nc3c2cccc3Br)cc1 ZINC000783711704 978793446 /nfs/dbraw/zinc/79/34/46/978793446.db2.gz COIXDBMAGKATRC-XYOKQWHBSA-N -1 0 344.164 3.640 20 0 EHADRM CC[C@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccc(OC)cc1 ZINC000799243998 978837830 /nfs/dbraw/zinc/83/78/30/978837830.db2.gz ZKNBAXKUYWTRIB-AWEZNQCLSA-N -1 0 331.343 3.665 20 0 EHADRM Cc1nc2cc(NC(=O)c3cc(C(=O)[O-])ccc3Cl)ccc2o1 ZINC000811814168 978857556 /nfs/dbraw/zinc/85/75/56/978857556.db2.gz RLSSCLZNUDHOQE-UHFFFAOYSA-N -1 0 330.727 3.740 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1cc(C(=O)[O-])ccc1Cl)C(F)(F)F ZINC000811819650 978863804 /nfs/dbraw/zinc/86/38/04/978863804.db2.gz UEBXQVSFCIYWLE-LBPRGKRZSA-N -1 0 337.725 3.745 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N2CCc3c2cccc3Cl)c1 ZINC000811819618 978864035 /nfs/dbraw/zinc/86/40/35/978864035.db2.gz DMDSYWMNLVYKFL-UHFFFAOYSA-N -1 0 336.174 3.895 20 0 EHADRM CCS[C@H]1CCCC[C@H]1NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811821393 978865705 /nfs/dbraw/zinc/86/57/05/978865705.db2.gz DGCROUFRJUUZNF-KGLIPLIRSA-N -1 0 341.860 3.832 20 0 EHADRM CCOc1ccc(N(C)C(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000811822040 978866636 /nfs/dbraw/zinc/86/66/36/978866636.db2.gz YYKZKORYGIIGFJ-UHFFFAOYSA-N -1 0 333.771 3.714 20 0 EHADRM O=C([O-])c1cn(CC(=O)N[C@H](c2ccccc2)C2CC2)c2ccccc12 ZINC000819175472 978924554 /nfs/dbraw/zinc/92/45/54/978924554.db2.gz YIJUNPTYMYLEHE-HXUWFJFHSA-N -1 0 348.402 3.607 20 0 EHADRM CCO[C@H](CCNC(=O)Nc1cccc(NC(=O)[O-])c1)C1CCCC1 ZINC000829919118 979010037 /nfs/dbraw/zinc/01/00/37/979010037.db2.gz VYBYOKMYIRXINP-MRXNPFEDSA-N -1 0 349.431 3.883 20 0 EHADRM Cc1cc(NC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cnc1Cl ZINC000832895772 979053377 /nfs/dbraw/zinc/05/33/77/979053377.db2.gz QOJJPOLOFOHDLV-BXUZGUMPSA-N -1 0 347.802 3.627 20 0 EHADRM CC[C@@H](C)n1ncc(NC(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1C ZINC001595026838 979138263 /nfs/dbraw/zinc/13/82/63/979138263.db2.gz LSQCSBYEZVGREC-LLVKDONJSA-N -1 0 330.388 3.813 20 0 EHADRM CC[C@@H](CC(=O)Oc1ccccc1C(=O)[O-])c1ccc(OC)cc1 ZINC001595036177 979191760 /nfs/dbraw/zinc/19/17/60/979191760.db2.gz OQSNGDORAUPQHD-ZDUSSCGKSA-N -1 0 328.364 3.883 20 0 EHADRM COc1ccc(C)cc1N[C@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000833730760 979232934 /nfs/dbraw/zinc/23/29/34/979232934.db2.gz CVKBOCJWMVJAFU-CYBMUJFWSA-N -1 0 342.395 3.531 20 0 EHADRM CCC(CC)(C(=O)[O-])c1csc(CC(=O)Nc2ccccc2C)n1 ZINC001595047723 979259107 /nfs/dbraw/zinc/25/91/07/979259107.db2.gz FPRXOSOVBDFJGZ-UHFFFAOYSA-N -1 0 346.452 3.775 20 0 EHADRM CCC(CC)(CC(=O)[O-])C(=O)O[C@H](C)c1nnc(-c2ccccc2)o1 ZINC001595048306 979265100 /nfs/dbraw/zinc/26/51/00/979265100.db2.gz XPKQMJYYQXGALN-GFCCVEGCSA-N -1 0 346.383 3.622 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@@H](C)Cc2ccc(F)cc2)c1 ZINC000840943605 979281035 /nfs/dbraw/zinc/28/10/35/979281035.db2.gz HBCIHRIGDUIJKI-QWHCGFSZSA-N -1 0 329.371 3.831 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1ccccc1CCC(F)(F)F ZINC001595053481 979287220 /nfs/dbraw/zinc/28/72/20/979287220.db2.gz SGOBVCRXLPVFFB-UHFFFAOYSA-N -1 0 345.361 3.945 20 0 EHADRM CCC(CC)(CNC(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1)C(=O)[O-] ZINC001595064908 979328885 /nfs/dbraw/zinc/32/88/85/979328885.db2.gz VMDUDALRPZYXBC-AWEZNQCLSA-N -1 0 349.471 3.759 20 0 EHADRM Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)CCCC(=O)[O-] ZINC000844251710 979394624 /nfs/dbraw/zinc/39/46/24/979394624.db2.gz ABFDNIBABYYZIP-ZDUSSCGKSA-N -1 0 346.452 3.893 20 0 EHADRM CCC(CC)(NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001595098077 979400261 /nfs/dbraw/zinc/40/02/61/979400261.db2.gz HXCKDEKOSNVHQC-QWHCGFSZSA-N -1 0 337.847 3.972 20 0 EHADRM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)/C=C/C1CCCC1 ZINC000846116627 979405939 /nfs/dbraw/zinc/40/59/39/979405939.db2.gz VWABLXLMNRZFLR-SOFGYWHQSA-N -1 0 337.366 3.515 20 0 EHADRM C[C@@H](COCc1nc(-c2cccc(C(=O)[O-])c2)no1)c1ccccc1 ZINC001592780962 979413013 /nfs/dbraw/zinc/41/30/13/979413013.db2.gz QMVDPCUOXDVVSS-ZDUSSCGKSA-N -1 0 338.363 3.755 20 0 EHADRM CCC(CC)[C@H](C)C(=O)O[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001595106366 979431262 /nfs/dbraw/zinc/43/12/62/979431262.db2.gz KIVYRMVKWPOMEQ-STQMWFEESA-N -1 0 349.427 3.636 20 0 EHADRM CCC(CC)N(C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C)C1CC1 ZINC001595114304 979462843 /nfs/dbraw/zinc/46/28/43/979462843.db2.gz ASJYMBMLELIGQU-UHFFFAOYSA-N -1 0 333.432 3.636 20 0 EHADRM CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851594064 979504341 /nfs/dbraw/zinc/50/43/41/979504341.db2.gz FPSRNKGTUIAWRN-DIECRNLCSA-N -1 0 331.393 3.589 20 0 EHADRM CC(C)c1ccccc1C(=O)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000851601425 979520423 /nfs/dbraw/zinc/52/04/23/979520423.db2.gz SOXDVZVKSKYPFL-UHFFFAOYSA-N -1 0 341.407 3.546 20 0 EHADRM C[C@@H](CSCC(=O)N(C)c1ccccc1C(=O)[O-])c1ccccc1 ZINC001592824035 979535004 /nfs/dbraw/zinc/53/50/04/979535004.db2.gz CKYXCSVYMGYNIR-AWEZNQCLSA-N -1 0 343.448 3.885 20 0 EHADRM CC[C@@H](CN(CC)C(=O)c1oc(C(=O)[O-])cc1C)c1ccccc1 ZINC001595129814 979538716 /nfs/dbraw/zinc/53/87/16/979538716.db2.gz SGWQQHRZKQGKAQ-AWEZNQCLSA-N -1 0 329.396 3.942 20 0 EHADRM C[C@H](CSc1ccc(F)cc1)C(=O)OC1CCC(C(=O)[O-])CC1 ZINC001592829787 979550139 /nfs/dbraw/zinc/55/01/39/979550139.db2.gz BKQMWOUSTTYEDK-LKSINWNRSA-N -1 0 340.416 3.741 20 0 EHADRM C[C@H](CSc1nc(-c2ccccn2)nc2sccc21)C(=O)[O-] ZINC001592831867 979560619 /nfs/dbraw/zinc/56/06/19/979560619.db2.gz HNNVHLAVGMFECP-SECBINFHSA-N -1 0 331.422 3.566 20 0 EHADRM C[C@](Cc1ccc(Cl)cc1)(NC(=O)/C=C/c1cccs1)C(=O)[O-] ZINC001592838152 979586134 /nfs/dbraw/zinc/58/61/34/979586134.db2.gz JKVGMOZQCIMBPH-KBOKABMXSA-N -1 0 349.839 3.617 20 0 EHADRM CC[C@](CNC(=O)/C=C(/C)c1cccs1)(C(=O)[O-])c1ccccc1 ZINC000856926297 979611573 /nfs/dbraw/zinc/61/15/73/979611573.db2.gz ANJITPQTZXROOF-LUQQZNFBSA-N -1 0 343.448 3.700 20 0 EHADRM C/C(=C/C(=O)N[C@H](C)[C@@H](Cc1ccccc1)C(=O)[O-])c1cccs1 ZINC000856925991 979611850 /nfs/dbraw/zinc/61/18/50/979611850.db2.gz JRVQEVUYQKOKBM-HBOAGIKPSA-N -1 0 343.448 3.600 20 0 EHADRM CC[C@](CNC(=O)Nc1c(F)cccc1F)(C(=O)[O-])c1ccccc1 ZINC001595150321 979640763 /nfs/dbraw/zinc/64/07/63/979640763.db2.gz RYIHVBSZPMWDSD-GOSISDBHSA-N -1 0 348.349 3.519 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)Nc1c(F)ccc(F)c1C(=O)[O-] ZINC001592854129 979649062 /nfs/dbraw/zinc/64/90/62/979649062.db2.gz MGWIACLPEHKFCZ-SECBINFHSA-N -1 0 337.297 3.619 20 0 EHADRM CC[C@H](CNC(=O)Nc1ccc2oc3ccccc3c2c1)C(=O)[O-] ZINC001595154194 979658206 /nfs/dbraw/zinc/65/82/06/979658206.db2.gz JSZFQAGJAFIJJB-LLVKDONJSA-N -1 0 326.352 3.818 20 0 EHADRM CC(C)Oc1cccc([C@@H](C)NC(=O)/C=C/c2cc(C(=O)[O-])co2)c1 ZINC000864103566 979689080 /nfs/dbraw/zinc/68/90/80/979689080.db2.gz MLTFUGCOXVCOGE-SBDDDAINSA-N -1 0 343.379 3.656 20 0 EHADRM O=C(/C=C/c1ccc(C(=O)[O-])o1)Nc1ccccc1OC1CCCC1 ZINC000864105317 979692020 /nfs/dbraw/zinc/69/20/20/979692020.db2.gz UZPHBRSYMPIGGF-ZRDIBKRKSA-N -1 0 341.363 3.951 20 0 EHADRM Cc1cc(C(=O)N2CCc3cc(C(C)(C)C)ccc32)oc1C(=O)[O-] ZINC000864108315 979698567 /nfs/dbraw/zinc/69/85/67/979698567.db2.gz UNGLHYGWSZMSDA-UHFFFAOYSA-N -1 0 327.380 3.787 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N2C[C@@H]3CCCC[C@H]3C2)cc1)C(=O)[O-] ZINC001592861722 979701646 /nfs/dbraw/zinc/70/16/46/979701646.db2.gz WDDWIQYZGFDFLP-KBMXLJTQSA-N -1 0 330.428 3.604 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)NC[C@]23C[C@H]2CCCC3)cc1)C(=O)[O-] ZINC001592865397 979705017 /nfs/dbraw/zinc/70/50/17/979705017.db2.gz AUXRMLHXRFFBPI-MUKKUYKPSA-N -1 0 330.428 3.652 20 0 EHADRM CCC[C@](C)(NC(=O)/C=C\c1ccsc1C(F)(F)F)C(=O)[O-] ZINC000864113119 979705036 /nfs/dbraw/zinc/70/50/36/979705036.db2.gz OQOLFZOLAOUJTM-ZFDPJTLLSA-N -1 0 335.347 3.540 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)C2(c3cccnc3)CCCC2)c1 ZINC000864122316 979719561 /nfs/dbraw/zinc/71/95/61/979719561.db2.gz OSEPGFJUUACXPB-UHFFFAOYSA-N -1 0 344.798 3.884 20 0 EHADRM CN(C(=O)/C=C\c1cc(C(=O)[O-])co1)[C@H]1CCCc2ccccc21 ZINC000864124920 979724523 /nfs/dbraw/zinc/72/45/23/979724523.db2.gz LGZAJDZYGZOBAR-IBSYWUHOSA-N -1 0 325.364 3.527 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)NCc2cccc(F)c2F)cc1)C(=O)[O-] ZINC001592872110 979727081 /nfs/dbraw/zinc/72/70/81/979727081.db2.gz JSTRLTRJKRSXHW-NSHDSACASA-N -1 0 348.349 3.550 20 0 EHADRM O=C(/C=C/c1cc(C(=O)[O-])co1)N[C@H](c1ccccc1)C1CCC1 ZINC000864128312 979728606 /nfs/dbraw/zinc/72/86/06/979728606.db2.gz AXLSAEYCANBKMW-QZEKMECESA-N -1 0 325.364 3.649 20 0 EHADRM CCN(C(=O)/C=C/c1ccc(C(=O)[O-])o1)[C@@H](C)Cc1ccsc1 ZINC000864142308 979747220 /nfs/dbraw/zinc/74/72/20/979747220.db2.gz GAAFRSBGSIBBGJ-PZBABLGHSA-N -1 0 333.409 3.532 20 0 EHADRM C[C@@]1(Cc2ccccc2)CCCN1C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000864144391 979749471 /nfs/dbraw/zinc/74/94/71/979749471.db2.gz RYQBZDBRIRWFDI-IBDYFIJFSA-N -1 0 339.391 3.615 20 0 EHADRM C[C@@H](Cc1ccc(Nc2nnc(C(F)(F)F)s2)cc1)C(=O)[O-] ZINC001592881922 979750150 /nfs/dbraw/zinc/75/01/50/979750150.db2.gz BZPJLNKVDKLRMX-ZETCQYMHSA-N -1 0 331.319 3.564 20 0 EHADRM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000864148025 979753814 /nfs/dbraw/zinc/75/38/14/979753814.db2.gz TWUUUILXXYGQET-ZGFXHQAVSA-N -1 0 337.419 3.764 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000864149640 979757923 /nfs/dbraw/zinc/75/79/23/979757923.db2.gz UNRJZXWQBVAWLE-VQTJNVASSA-N -1 0 331.456 3.605 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)C2([C@@H]3CCCCO3)CCC2)cc1 ZINC000864149354 979757988 /nfs/dbraw/zinc/75/79/88/979757988.db2.gz PYCFDJNTJSPSEA-BBRMVZONSA-N -1 0 331.412 3.553 20 0 EHADRM O=C([O-])c1coc(/C=C\C(=O)N[C@H](C2CCCCC2)C(F)(F)F)c1 ZINC000864156720 979768519 /nfs/dbraw/zinc/76/85/19/979768519.db2.gz BBBBSWWVZCZNFP-LMVHVUTASA-N -1 0 345.317 3.618 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)/C=C/c3ccc(C(=O)[O-])o3)C2)cc1 ZINC000864157756 979770300 /nfs/dbraw/zinc/77/03/00/979770300.db2.gz RZKMOBZESGFGSZ-YBZQBRCDSA-N -1 0 339.391 3.704 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001592885974 979772525 /nfs/dbraw/zinc/77/25/25/979772525.db2.gz WKJJHJUTKSUSSD-JTQLQIEISA-N -1 0 335.762 3.995 20 0 EHADRM Oc1cccc(CN2CCC3(CC3(F)F)CC2)c1Br ZINC000651952772 1014601831 /nfs/dbraw/zinc/60/18/31/1014601831.db2.gz BIYQNZWXKZCPFT-UHFFFAOYSA-N -1 0 332.188 3.776 20 0 EHADRM C[C@@H](Cc1ccccc1F)NC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC001592896605 979797497 /nfs/dbraw/zinc/79/74/97/979797497.db2.gz QENRKSPITFNKBE-STQMWFEESA-N -1 0 344.386 3.767 20 0 EHADRM C[C@@H](Oc1ccc(NC(=O)/C=C\C2CCCCC2)cc1F)C(=O)[O-] ZINC000864170268 979798093 /nfs/dbraw/zinc/79/80/93/979798093.db2.gz AIGTVLAIKCOENK-MQGYJPLLSA-N -1 0 335.375 3.753 20 0 EHADRM C[C@@H](Oc1ccc(NC(=O)C=C2CCC(C)CC2)cc1F)C(=O)[O-] ZINC000864171384 979801032 /nfs/dbraw/zinc/80/10/32/979801032.db2.gz XJEJKQDPLYTKII-PIJUOVFKSA-N -1 0 335.375 3.753 20 0 EHADRM C[C@@H](Cc1ccco1)NC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001592899240 979813724 /nfs/dbraw/zinc/81/37/24/979813724.db2.gz FHHSUAMEMGONKB-LBPRGKRZSA-N -1 0 338.363 3.884 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000864178004 979823891 /nfs/dbraw/zinc/82/38/91/979823891.db2.gz VMKIUYLXVGGNBJ-UOXUZBDRSA-N -1 0 339.391 3.784 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)c1cc(C(=O)[O-])ccc1Cl)C(F)(F)F ZINC000864178476 979824233 /nfs/dbraw/zinc/82/42/33/979824233.db2.gz BCEBBFUDBUSIRT-HQJQHLMTSA-N -1 0 337.725 3.745 20 0 EHADRM O=C([O-])C12CCC(CC1)N2C(=O)c1sc2ccccc2c1Cl ZINC000864189778 979840684 /nfs/dbraw/zinc/84/06/84/979840684.db2.gz RUOIKKUOXISJNS-UHFFFAOYSA-N -1 0 335.812 3.777 20 0 EHADRM COc1cc(C)cc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c1C ZINC000864190185 979842173 /nfs/dbraw/zinc/84/21/73/979842173.db2.gz UWRURPRQGLFLEA-DLBZAZTESA-N -1 0 339.391 3.752 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N[C@@](C)(CC(=O)[O-])C1CC1 ZINC000864199475 979874208 /nfs/dbraw/zinc/87/42/08/979874208.db2.gz TXSUDWLCFPJDQW-KRWDZBQOSA-N -1 0 335.400 3.722 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)CCc1c(Cl)cccc1Cl)C1CC1 ZINC000864201812 979880367 /nfs/dbraw/zinc/88/03/67/979880367.db2.gz ZBXTXRDEUUETRE-MRXNPFEDSA-N -1 0 344.238 3.686 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000864227438 979915713 /nfs/dbraw/zinc/91/57/13/979915713.db2.gz ZDDPWCXSVLTUSQ-FHLIZLRMSA-N -1 0 335.403 3.704 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)[C@@H](C)Cc2ccc(F)cc2)c1 ZINC000864229993 979925983 /nfs/dbraw/zinc/92/59/83/979925983.db2.gz POWAELPTSIHRBQ-KSSFIOAISA-N -1 0 343.398 3.645 20 0 EHADRM CCc1ccc(F)cc1C(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1 ZINC000864231377 979930031 /nfs/dbraw/zinc/93/00/31/979930031.db2.gz HLBFEMXPXKCTER-KRWDZBQOSA-N -1 0 329.371 3.642 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC001595210041 979982672 /nfs/dbraw/zinc/98/26/72/979982672.db2.gz AKTNWAAURGJODC-KRWDZBQOSA-N -1 0 331.456 3.715 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001595210432 979984092 /nfs/dbraw/zinc/98/40/92/979984092.db2.gz GOYFWHMJMWQHBT-CYBMUJFWSA-N -1 0 346.814 3.949 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC001595210878 979986040 /nfs/dbraw/zinc/98/60/40/979986040.db2.gz KIAMOYCCZBKFOQ-HLIPFELVSA-N -1 0 331.456 3.713 20 0 EHADRM CC[C@H](Cc1ccccc1)N(CC)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC001595213135 980004605 /nfs/dbraw/zinc/00/46/05/980004605.db2.gz NAOSCPVUYHWSEI-OAHLLOKOSA-N -1 0 343.427 3.896 20 0 EHADRM CC(F)(F)c1ccc(C(=O)OCc2ccsc2C(=O)[O-])cc1 ZINC001592943756 980016636 /nfs/dbraw/zinc/01/66/36/980016636.db2.gz CNACGCWKADKMNB-UHFFFAOYSA-N -1 0 326.320 3.915 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])[S@](=O)Cc1csc(C2CCCCC2)n1 ZINC000579805247 1014621850 /nfs/dbraw/zinc/62/18/50/1014621850.db2.gz VVSSFHRYNROWBT-YEJXKQKISA-N -1 0 329.487 3.549 20 0 EHADRM CC(F)(F)c1ccc(CNC(=O)c2cc(F)cc(C(=O)[O-])c2)cc1 ZINC001592944880 980024446 /nfs/dbraw/zinc/02/44/46/980024446.db2.gz RQRYYOMLIKPIMQ-UHFFFAOYSA-N -1 0 337.297 3.566 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)Nc1cnc(C(=O)[O-])c(Cl)c1 ZINC001595220394 980049316 /nfs/dbraw/zinc/04/93/16/980049316.db2.gz ZBIQBDGLVGSXPH-GFCCVEGCSA-N -1 0 346.814 3.949 20 0 EHADRM CCC(F)(F)CNC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001595221699 980053833 /nfs/dbraw/zinc/05/38/33/980053833.db2.gz NJQIQTVJRGJUSM-UHFFFAOYSA-N -1 0 328.340 3.766 20 0 EHADRM CCC(F)(F)c1ccccc1NC(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001595226710 980077340 /nfs/dbraw/zinc/07/73/40/980077340.db2.gz WAQCWYVRVXAJCQ-LBPRGKRZSA-N -1 0 340.370 3.811 20 0 EHADRM Cc1occ(C(F)(F)F)c1C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC000872726999 980106458 /nfs/dbraw/zinc/10/64/58/980106458.db2.gz YEVLOHHDTKRNNT-GFCCVEGCSA-N -1 0 347.333 3.760 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2sccc2C(F)F)[C@H]2CCCC[C@@H]12 ZINC000872733143 980125034 /nfs/dbraw/zinc/12/50/34/980125034.db2.gz ROJQYQBEOKJYAG-UMNHJUIQSA-N -1 0 343.395 3.791 20 0 EHADRM CC(C)(C)c1ccc(CNC(=O)CCc2ccccc2C(=O)[O-])s1 ZINC000872752781 980139219 /nfs/dbraw/zinc/13/92/19/980139219.db2.gz GHPOEKBLANBIJU-UHFFFAOYSA-N -1 0 345.464 3.993 20 0 EHADRM CC[C@H](NC(=O)/C=C/c1cc(C(=O)[O-])co1)C(C)(C)c1ccccc1 ZINC001595237489 980145920 /nfs/dbraw/zinc/14/59/20/980145920.db2.gz JMSWYCSFXPFQMT-DVQDXYAYSA-N -1 0 341.407 3.864 20 0 EHADRM CC[C@@H](NC(=O)COc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001595242840 980170382 /nfs/dbraw/zinc/17/03/82/980170382.db2.gz QGYOTSXVPKSFDJ-MRXNPFEDSA-N -1 0 347.798 3.685 20 0 EHADRM C[C@@H](NC(=O)C(C)(C)CC(C)(C)C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001592989892 980175867 /nfs/dbraw/zinc/17/58/67/980175867.db2.gz LDYVSAXPFSEMEG-GDBMZVCRSA-N -1 0 333.472 3.897 20 0 EHADRM C[C@H](NCc1ccc(C(F)F)c(F)c1)c1ncc(C(=O)[O-])s1 ZINC000900041514 980239049 /nfs/dbraw/zinc/23/90/49/980239049.db2.gz PYMOMROSFZNXDI-ZETCQYMHSA-N -1 0 330.331 3.769 20 0 EHADRM O=C([O-])c1cc2n(n1)CCC[C@@H]2NCc1cc(Cl)ccc1Cl ZINC000900072011 980244023 /nfs/dbraw/zinc/24/40/23/980244023.db2.gz WBHCZZPFTSYESG-LBPRGKRZSA-N -1 0 340.210 3.513 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(N[C@@H]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000901513625 980330279 /nfs/dbraw/zinc/33/02/79/980330279.db2.gz OXBRUSGLZUBAQI-OLZOCXBDSA-N -1 0 331.334 3.571 20 0 EHADRM COC[C@@H](CC1CCOCC1)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC000901548921 980374522 /nfs/dbraw/zinc/37/45/22/980374522.db2.gz HQAXTUAWGUDFBG-QGZVFWFLSA-N -1 0 343.423 3.782 20 0 EHADRM O=C([O-])c1ccc(CNCc2ccc(CSC(F)F)o2)c(F)c1 ZINC000901754119 980483903 /nfs/dbraw/zinc/48/39/03/980483903.db2.gz ARGYJUWDWOIETL-UHFFFAOYSA-N -1 0 345.342 3.863 20 0 EHADRM CC[C@H](Nc1cc(I)cc(C(=O)[O-])c1)C1CC1 ZINC001595317650 980495825 /nfs/dbraw/zinc/49/58/25/980495825.db2.gz ZEOSYKDBOAFYEG-LBPRGKRZSA-N -1 0 345.180 3.590 20 0 EHADRM CC[C@H](Nc1cccc([C@H]2CNC(=O)C2)c1)c1ccc(C(=O)[O-])cc1 ZINC001595318583 980501558 /nfs/dbraw/zinc/50/15/58/980501558.db2.gz OVAZIQIDFRRASH-AEFFLSMTSA-N -1 0 338.407 3.552 20 0 EHADRM CC[C@](O)(C(=O)Nc1ccc(C(=O)[O-])c(C)c1)c1cccc(Cl)c1 ZINC001595323656 980525609 /nfs/dbraw/zinc/52/56/09/980525609.db2.gz ZXDLXQGWCBSVIT-GOSISDBHSA-N -1 0 347.798 3.583 20 0 EHADRM COCCOc1cccc(CNc2cccc([C@@H](C)C(=O)[O-])c2)c1 ZINC000901813277 980534049 /nfs/dbraw/zinc/53/40/49/980534049.db2.gz DDCAPGRFINRUNR-CQSZACIVSA-N -1 0 329.396 3.512 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NCc2cccc3c2OCCCO3)c1 ZINC000901814457 980535907 /nfs/dbraw/zinc/53/59/07/980535907.db2.gz IDCYVEODVXTHFB-ZDUSSCGKSA-N -1 0 327.380 3.648 20 0 EHADRM Cc1cc([C@H](NCc2cnc(C3CCC3)s2)C(=O)[O-])ccc1F ZINC000901848658 980573806 /nfs/dbraw/zinc/57/38/06/980573806.db2.gz RSNWLUMTWHBGEF-HNNXBMFYSA-N -1 0 334.416 3.774 20 0 EHADRM C[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000901877908 980593019 /nfs/dbraw/zinc/59/30/19/980593019.db2.gz XJWLXFJLFULQNT-ZFWWWQNUSA-N -1 0 346.496 3.862 20 0 EHADRM CC[C@@H](OC(=O)CCc1ocnc1C(=O)[O-])C(C)(C)c1ccccc1 ZINC001595340170 980616940 /nfs/dbraw/zinc/61/69/40/980616940.db2.gz LBZAWNYZUPMGON-OAHLLOKOSA-N -1 0 345.395 3.605 20 0 EHADRM C[C@@H]1CCN(Cc2cnc(CCc3ccccc3)s2)[C@@H](C(=O)[O-])C1 ZINC000902011546 980690624 /nfs/dbraw/zinc/69/06/24/980690624.db2.gz KPZOHUYYZFTAOI-RHSMWYFYSA-N -1 0 344.480 3.613 20 0 EHADRM C[C@H]1CCN(Cc2cnc(CCc3ccccc3)s2)[C@H](C(=O)[O-])C1 ZINC000902011550 980690781 /nfs/dbraw/zinc/69/07/81/980690781.db2.gz KPZOHUYYZFTAOI-YOEHRIQHSA-N -1 0 344.480 3.613 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)N(CC(C)C)C(C)(C)C(=O)[O-] ZINC001595356127 980709414 /nfs/dbraw/zinc/70/94/14/980709414.db2.gz ANERGOJQKTUPMN-INIZCTEOSA-N -1 0 335.444 3.500 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)O[C@H](C(=O)[O-])c1ccsc1 ZINC001595357175 980719234 /nfs/dbraw/zinc/71/92/34/980719234.db2.gz UUBOFPBOYXFFBG-CABCVRRESA-N -1 0 334.393 3.583 20 0 EHADRM CCNC(=O)c1cccc(N[C@H]2CCC[C@@H](CCCC(=O)[O-])C2)c1 ZINC000902069721 980719766 /nfs/dbraw/zinc/71/97/66/980719766.db2.gz HPWZFELBLLWEEF-HOCLYGCPSA-N -1 0 332.444 3.662 20 0 EHADRM CCOc1cccc2cc([C@H](C)NCc3cc(C(=O)[O-])co3)oc21 ZINC000902081444 980723551 /nfs/dbraw/zinc/72/35/51/980723551.db2.gz WSTNKTRFKJBJHU-NSHDSACASA-N -1 0 329.352 3.974 20 0 EHADRM CC[C@H](Sc1nc2ccccc2n1-c1ccc(OC)cc1)C(=O)[O-] ZINC001595359197 980739091 /nfs/dbraw/zinc/73/90/91/980739091.db2.gz RFXFMLVKCGOEHL-INIZCTEOSA-N -1 0 342.420 3.989 20 0 EHADRM CC[C@H](NCc1cc(C(=O)[O-])co1)c1ccccc1OC(F)F ZINC000902120355 980744193 /nfs/dbraw/zinc/74/41/93/980744193.db2.gz SAEPZWZLEBEGGA-ZDUSSCGKSA-N -1 0 325.311 3.820 20 0 EHADRM CCN(Cc1c(C)nn(CCC(=O)[O-])c1C)Cc1ccccc1Cl ZINC000902121736 980744871 /nfs/dbraw/zinc/74/48/71/980744871.db2.gz MFJSNGBLIKNQHB-UHFFFAOYSA-N -1 0 349.862 3.650 20 0 EHADRM O=C([O-])CC1CCC(Nc2cccc(N3CCCCC3=O)c2)CC1 ZINC000902122988 980745603 /nfs/dbraw/zinc/74/56/03/980745603.db2.gz HAAAVLFEYQAAFY-UHFFFAOYSA-N -1 0 330.428 3.649 20 0 EHADRM CCc1oc(CNCc2ccc(Br)s2)cc1C(=O)[O-] ZINC000902134446 980751859 /nfs/dbraw/zinc/75/18/59/980751859.db2.gz MOTKSSWMTLOPOT-UHFFFAOYSA-N -1 0 344.230 3.654 20 0 EHADRM CCc1oc(CNc2ccc(OC(F)F)c(F)c2)cc1C(=O)[O-] ZINC000902145080 980756343 /nfs/dbraw/zinc/75/63/43/980756343.db2.gz PAZKCJXMEVMGRP-UHFFFAOYSA-N -1 0 329.274 3.893 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001595361230 980760236 /nfs/dbraw/zinc/76/02/36/980760236.db2.gz FMKOERPSJRMJRK-RMVXJAJNSA-N -1 0 349.430 3.637 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccc(Cl)nc1C ZINC001595361356 980761302 /nfs/dbraw/zinc/76/13/02/980761302.db2.gz WOZMANHHOOLXJC-OAHLLOKOSA-N -1 0 346.814 3.722 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CNc1ccc(C)cc1OC[C@@H]1CCCO1 ZINC000902159461 980761360 /nfs/dbraw/zinc/76/13/60/980761360.db2.gz HPEMLVKHJSXLJW-HNNXBMFYSA-N -1 0 345.395 3.765 20 0 EHADRM C[C@H]1CN(C(=O)C(C)(C)c2ccc3ccccc3c2)CC[C@H]1C(=O)[O-] ZINC000902163159 980762678 /nfs/dbraw/zinc/76/26/78/980762678.db2.gz RIUPPGMZAMPTSU-KBXCAEBGSA-N -1 0 339.435 3.687 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@H]1CC2CCC1CC2 ZINC001595361982 980767315 /nfs/dbraw/zinc/76/73/15/980767315.db2.gz STEZIUOWAKWKAQ-RLNQZENFSA-N -1 0 329.440 3.877 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])Cc1cc2c(cc[nH]c2=O)o1 ZINC001595362382 980770792 /nfs/dbraw/zinc/77/07/92/980770792.db2.gz CAVIMMHMVFBVMF-INIZCTEOSA-N -1 0 340.379 3.571 20 0 EHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1Nc1cccc(NC(=O)c2ccoc2)c1 ZINC000902203493 980781625 /nfs/dbraw/zinc/78/16/25/980781625.db2.gz MTOPWSTYFUHFQG-XNJGSVPQSA-N -1 0 342.395 3.833 20 0 EHADRM Cc1csc(C2(NCc3ccc(/C=C/C(=O)[O-])o3)CCCC2)n1 ZINC000902256770 980802617 /nfs/dbraw/zinc/80/26/17/980802617.db2.gz UIZIOUWSIIFXBD-VOTSOKGWSA-N -1 0 332.425 3.701 20 0 EHADRM CC[C@H](NCc1cc(C(=O)[O-])co1)c1nc(C(F)(F)F)cs1 ZINC000902363683 980853078 /nfs/dbraw/zinc/85/30/78/980853078.db2.gz JRBJZVYWUKTPMO-VIFPVBQESA-N -1 0 334.319 3.694 20 0 EHADRM CCC1(CC)CCC(NC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)CC1 ZINC001595374688 980887199 /nfs/dbraw/zinc/88/71/99/980887199.db2.gz OPXRGNZTCBFVAR-HNNXBMFYSA-N -1 0 336.476 3.632 20 0 EHADRM CCC1(CC)CCCN1C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001595375115 980891982 /nfs/dbraw/zinc/89/19/82/980891982.db2.gz RLUPFDGCJDKBNW-UHFFFAOYSA-N -1 0 333.432 3.637 20 0 EHADRM C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000902454353 980894842 /nfs/dbraw/zinc/89/48/42/980894842.db2.gz FCQCZMPSGNEQPX-AUKGUFSJSA-N -1 0 347.455 3.670 20 0 EHADRM CC[C@@]1(Cc2ccccc2)CCCN1C(=O)CC(C)(C)CC(=O)[O-] ZINC001595384125 980930645 /nfs/dbraw/zinc/93/06/45/980930645.db2.gz NCXWCRBCQPAQDV-FQEVSTJZSA-N -1 0 331.456 3.891 20 0 EHADRM CCC1(NC(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)CCCC1 ZINC001595391050 980948101 /nfs/dbraw/zinc/94/81/01/980948101.db2.gz UDHUOTJLOZSWLB-UHFFFAOYSA-N -1 0 345.443 3.829 20 0 EHADRM CCC1(c2ccc(Cl)cc2)CCN(C(=O)CCCC(=O)[O-])CC1 ZINC001595397297 980963979 /nfs/dbraw/zinc/96/39/79/980963979.db2.gz JBMKDSHYQVRADU-UHFFFAOYSA-N -1 0 337.847 3.865 20 0 EHADRM CCC1=C(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)CCCO1 ZINC001595399647 980972876 /nfs/dbraw/zinc/97/28/76/980972876.db2.gz VDBPJIWXNUFMFO-UHFFFAOYSA-N -1 0 327.739 3.590 20 0 EHADRM CCC1CCC(NC(=O)[C@@H](C)Cc2cccc(F)c2)(C(=O)[O-])CC1 ZINC001595420298 981034447 /nfs/dbraw/zinc/03/44/47/981034447.db2.gz BTGLMTTZRYPPFH-CDJWAVJASA-N -1 0 335.419 3.544 20 0 EHADRM CCC1CCC(NC(=O)C[C@@H]2CCc3ccccc3C2)(C(=O)[O-])CC1 ZINC001595420876 981039095 /nfs/dbraw/zinc/03/90/95/981039095.db2.gz NZYUEVLJRNVCKC-ZGOJQLDESA-N -1 0 343.467 3.721 20 0 EHADRM CCC1CCC(NC(=O)c2cc(Cl)cc(OC)c2)(C(=O)[O-])CC1 ZINC001595424640 981042661 /nfs/dbraw/zinc/04/26/61/981042661.db2.gz IFSPILOPYAYRCC-UHFFFAOYSA-N -1 0 339.819 3.502 20 0 EHADRM CC[C@@H]1CCC[C@H]1C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC001595435083 981062233 /nfs/dbraw/zinc/06/22/33/981062233.db2.gz GADUJSPWSCNQIN-ZIAGYGMSSA-N -1 0 339.382 3.594 20 0 EHADRM CC[C@@H]1CCC[C@@]1(C)C(=O)NC[C@H](Cc1cccc(C)c1)C(=O)[O-] ZINC001595435387 981064462 /nfs/dbraw/zinc/06/44/62/981064462.db2.gz JINXSENMDDGYPG-SQGPQFPESA-N -1 0 331.456 3.571 20 0 EHADRM CC[C@@H]1CCC[C@]1(C)C(=O)N[C@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001595436777 981071383 /nfs/dbraw/zinc/07/13/83/981071383.db2.gz VWTNFXVDFTUZMZ-OYRIPWCXSA-N -1 0 331.456 3.651 20 0 EHADRM CC[C@@H]1CCCC[C@H]1CNC(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001595441576 981079766 /nfs/dbraw/zinc/07/97/66/981079766.db2.gz RQCMMJNHWUJEMY-OLZOCXBDSA-N -1 0 334.416 3.731 20 0 EHADRM COc1ccc(CNc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c(F)c1OC ZINC000904026132 981081596 /nfs/dbraw/zinc/08/15/96/981081596.db2.gz BJEMBZORDGZETI-LSDHHAIUSA-N -1 0 345.370 3.643 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001595444539 981088909 /nfs/dbraw/zinc/08/89/09/981088909.db2.gz QTTDPVGYYSNVPV-CJNGLKHVSA-N -1 0 347.459 3.883 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)N1CCCc2ccc(C(=O)[O-])cc21 ZINC001595447001 981094705 /nfs/dbraw/zinc/09/47/05/981094705.db2.gz DRISXCGBBQHENM-KDOFPFPSSA-N -1 0 345.439 3.649 20 0 EHADRM CC[C@@H](OCCN(C)[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000905373375 981096295 /nfs/dbraw/zinc/09/62/95/981096295.db2.gz NEJOGKFYIIMXSQ-RTBURBONSA-N -1 0 327.424 3.912 20 0 EHADRM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001595448079 981096871 /nfs/dbraw/zinc/09/68/71/981096871.db2.gz LSHWNCMJZZSZIT-SJKOYZFVSA-N -1 0 344.411 3.790 20 0 EHADRM CC[C@@H]1CCCCN1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001595452011 981112126 /nfs/dbraw/zinc/11/21/26/981112126.db2.gz XONVLVIYAAJGBF-OAHLLOKOSA-N -1 0 345.443 3.781 20 0 EHADRM CC[C@@H]1CCC[C@@H]1CNC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001595456425 981126023 /nfs/dbraw/zinc/12/60/23/981126023.db2.gz QDDOYUNPTHMFAV-QIJZBDPFSA-N -1 0 330.428 3.823 20 0 EHADRM O=C([O-])c1cnc([C@@H]2CC[N@H+](Cc3cc(F)cc(Cl)c3)C2)s1 ZINC000905740396 981133508 /nfs/dbraw/zinc/13/35/08/981133508.db2.gz PAOJSNWIWAXENN-SNVBAGLBSA-N -1 0 340.807 3.623 20 0 EHADRM CC[C@H]1CCN(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)[C@H]1C ZINC001595460159 981142595 /nfs/dbraw/zinc/14/25/95/981142595.db2.gz RJQUTPWGWDNXBZ-RYUDHWBXSA-N -1 0 327.384 3.585 20 0 EHADRM CC[C@H]1CCCc2sc(NC(=O)c3c(C)coc3CC(=O)[O-])nc21 ZINC001595460398 981143903 /nfs/dbraw/zinc/14/39/03/981143903.db2.gz VQESCVSQESWBCP-JTQLQIEISA-N -1 0 348.424 3.754 20 0 EHADRM O=C([O-])c1ccc(N2CCC[C@@H]2c2ccccc2C(F)(F)F)nn1 ZINC000906151959 981168551 /nfs/dbraw/zinc/16/85/51/981168551.db2.gz GVFGMUPBTOMAEX-CYBMUJFWSA-N -1 0 337.301 3.535 20 0 EHADRM Cc1cc(CNC(=O)c2cc(C3CC3)oc2C2CC2)oc1C(=O)[O-] ZINC000907741701 981214072 /nfs/dbraw/zinc/21/40/72/981214072.db2.gz ZSWHZRQVLCRDQD-UHFFFAOYSA-N -1 0 329.352 3.564 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1C ZINC000907863307 981234202 /nfs/dbraw/zinc/23/42/02/981234202.db2.gz GXMRXCCRMSLUJI-WPUWVODUSA-N -1 0 345.439 3.606 20 0 EHADRM O=C([O-])c1ccccc1-c1ccccc1C(=O)N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000908095650 981260623 /nfs/dbraw/zinc/26/06/23/981260623.db2.gz LBBUAEWKAUZSNE-PJIJBLCYSA-N -1 0 335.403 3.970 20 0 EHADRM CC[C@H]1c2ccccc2CN1C(=O)Nc1cc(C)c(C(=O)[O-])cn1 ZINC001595504976 981280285 /nfs/dbraw/zinc/28/02/85/981280285.db2.gz SNPLGMRGRIOODL-HNNXBMFYSA-N -1 0 325.368 3.587 20 0 EHADRM CC(C)c1ccccc1C(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1 ZINC000908232152 981285445 /nfs/dbraw/zinc/28/54/45/981285445.db2.gz OUOZINSPWBWGEG-MRXNPFEDSA-N -1 0 325.408 3.626 20 0 EHADRM CC/C=C(\C)C(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001595507356 981289275 /nfs/dbraw/zinc/28/92/75/981289275.db2.gz FEXBBLHDUQKKLW-UUILKARUSA-N -1 0 326.352 3.867 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)C2CCC(C(F)(F)F)CC2)CCC1 ZINC000908335063 981301208 /nfs/dbraw/zinc/30/12/08/981301208.db2.gz UFIRMWDTFXMNGF-UHFFFAOYSA-N -1 0 349.393 3.897 20 0 EHADRM COc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2OC)cc1C1CC1 ZINC000908502495 981319356 /nfs/dbraw/zinc/31/93/56/981319356.db2.gz ZPSSSCBGXDNJOL-UHFFFAOYSA-N -1 0 341.363 3.532 20 0 EHADRM CCCc1cc(C(=O)Nc2cccc(C(=O)[O-])c2OC)sc1C ZINC000908508097 981320132 /nfs/dbraw/zinc/32/01/32/981320132.db2.gz NRXMJBKXFGGGGN-UHFFFAOYSA-N -1 0 333.409 3.968 20 0 EHADRM CC/C=C/[C@H](OC(=O)c1csc(-c2ccccc2C)n1)C(=O)[O-] ZINC001595515213 981322131 /nfs/dbraw/zinc/32/21/31/981322131.db2.gz QFAHBYDURUOJPG-MDDUGHTDSA-N -1 0 331.393 3.695 20 0 EHADRM CCc1c(C(=O)Nc2ccc(C(=O)[O-])cc2)cnn1C1CCCC1 ZINC000908673821 981337046 /nfs/dbraw/zinc/33/70/46/981337046.db2.gz RLPBVBYHEBUWLO-UHFFFAOYSA-N -1 0 327.384 3.511 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)N2CCC(CC(=O)[O-])CC2)cc1 ZINC000908680737 981338319 /nfs/dbraw/zinc/33/83/19/981338319.db2.gz FZKOKXHPALMPAI-UHFFFAOYSA-N -1 0 333.428 3.581 20 0 EHADRM CCN(C(=O)c1[nH]c2ccccc2c1CC(=O)[O-])C1CCCCC1 ZINC000908693516 981340243 /nfs/dbraw/zinc/34/02/43/981340243.db2.gz OOFDAZUHHJKCNS-UHFFFAOYSA-N -1 0 328.412 3.590 20 0 EHADRM CN(Cc1ccc(Cl)s1)C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000908699608 981341501 /nfs/dbraw/zinc/34/15/01/981341501.db2.gz DJVYVAOHZATGIS-UHFFFAOYSA-N -1 0 341.860 3.785 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000908750593 981353541 /nfs/dbraw/zinc/35/35/41/981353541.db2.gz IKHYGUSSBIYKFX-JYMLRBTQSA-N -1 0 341.407 3.954 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000908815089 981367227 /nfs/dbraw/zinc/36/72/27/981367227.db2.gz WXKBNZZLIGQYMG-ZWKOTPCHSA-N -1 0 345.439 3.975 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N[C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000908829002 981369515 /nfs/dbraw/zinc/36/95/15/981369515.db2.gz TYFZPXPHUXXXQO-CZUORRHYSA-N -1 0 341.407 3.650 20 0 EHADRM Cc1c(NC(=O)[C@H](C)[C@H]2OCCc3sccc32)cccc1C(=O)[O-] ZINC000908845027 981376366 /nfs/dbraw/zinc/37/63/66/981376366.db2.gz URZQVHXXYWRJHR-BDJLRTHQSA-N -1 0 345.420 3.643 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1ccc([C@H](C)C(F)(F)F)cc1)C(=O)[O-] ZINC000908888307 981382806 /nfs/dbraw/zinc/38/28/06/981382806.db2.gz RKVUAROVRLPLPQ-KWBADKCTSA-N -1 0 331.334 3.582 20 0 EHADRM CCC[C@@H](C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)c1ccc(Cl)cc1 ZINC001595536807 981384850 /nfs/dbraw/zinc/38/48/50/981384850.db2.gz DQOGVJHUMANQNK-IEHFGQBSSA-N -1 0 349.858 3.839 20 0 EHADRM CCC[C@H](C(=O)OCCc1csc(C(=O)[O-])c1)c1ccccn1 ZINC001595537525 981387713 /nfs/dbraw/zinc/38/77/13/981387713.db2.gz LWZXNPGSFBIUIP-ZDUSSCGKSA-N -1 0 333.409 3.511 20 0 EHADRM CCC[C@@](C)(CC)C(=O)Nc1nc2nc(C)cc(C(=O)[O-])c2s1 ZINC001595542698 981404996 /nfs/dbraw/zinc/40/49/96/981404996.db2.gz XPFVCQWXGJDRFN-MRXNPFEDSA-N -1 0 335.429 3.853 20 0 EHADRM CCC[C@](C)(NC(=O)c1cccn1[C@H](C)Cc1ccccc1)C(=O)[O-] ZINC001595553214 981427904 /nfs/dbraw/zinc/42/79/04/981427904.db2.gz DASUVGXGFUGASR-QRWLVFNGSA-N -1 0 342.439 3.665 20 0 EHADRM CC(C)(C)OC1CC(CC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC000909272262 981455814 /nfs/dbraw/zinc/45/58/14/981455814.db2.gz OFQAVTVDWUGJHM-UHFFFAOYSA-N -1 0 339.819 3.961 20 0 EHADRM CSc1cccc(N(C)C(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC000909406025 981486236 /nfs/dbraw/zinc/48/62/36/981486236.db2.gz KBLPHZRDHNEGOG-UHFFFAOYSA-N -1 0 333.453 3.797 20 0 EHADRM CCC[C@@H](C)CCNC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001595573186 981487195 /nfs/dbraw/zinc/48/71/95/981487195.db2.gz JLFIPSFXNMDDTP-GDBMZVCRSA-N -1 0 334.460 3.964 20 0 EHADRM CCC[C@H](CC(C)C)C(=O)N[C@@](C)(Cc1ccc(F)cc1)C(=O)[O-] ZINC001595579876 981511934 /nfs/dbraw/zinc/51/19/34/981511934.db2.gz VHNLYIRWIQKIJJ-BEFAXECRSA-N -1 0 337.435 3.790 20 0 EHADRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])cs2)nn1C1CCCCC1 ZINC000909515821 981522356 /nfs/dbraw/zinc/52/23/56/981522356.db2.gz NLWHDWKZCBZWHV-UHFFFAOYSA-N -1 0 333.413 3.709 20 0 EHADRM CS[C@H](C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC000909520438 981526999 /nfs/dbraw/zinc/52/69/99/981526999.db2.gz QAVNMVBRIXDTIX-DYVFJYSZSA-N -1 0 343.448 3.993 20 0 EHADRM Cc1nc(CC(C)C)oc1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000909522328 981528145 /nfs/dbraw/zinc/52/81/45/981528145.db2.gz GQPRPXMBOFZSHG-LBPRGKRZSA-N -1 0 344.411 3.697 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cn1 ZINC000909523269 981529353 /nfs/dbraw/zinc/52/93/53/981529353.db2.gz LXIBMUCBDSEITA-CYBMUJFWSA-N -1 0 326.396 3.721 20 0 EHADRM CC(C)CC[C@@H]1CCCN1C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC000909555230 981540214 /nfs/dbraw/zinc/54/02/14/981540214.db2.gz KYZSKUHCKQUYTN-AWEZNQCLSA-N -1 0 342.439 3.836 20 0 EHADRM CCC[C@H](Cc1ccccc1)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001595594086 981560176 /nfs/dbraw/zinc/56/01/76/981560176.db2.gz MDANTKPXXURQSK-QGZVFWFLSA-N -1 0 337.423 3.944 20 0 EHADRM CCC[C@H](Cc1ccccc1)NC(=O)c1[nH]c(CC)c(C(=O)[O-])c1C ZINC001595594039 981560242 /nfs/dbraw/zinc/56/02/42/981560242.db2.gz LESSUIRKKBISLG-OAHLLOKOSA-N -1 0 342.439 3.725 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])c(C(F)(F)F)o1 ZINC000909668556 981564889 /nfs/dbraw/zinc/56/48/89/981564889.db2.gz PSZODSRXQSCXCT-LBPRGKRZSA-N -1 0 347.333 3.760 20 0 EHADRM CC(C)c1ccc2occ(C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])c2c1 ZINC000909672358 981566409 /nfs/dbraw/zinc/56/64/09/981566409.db2.gz UNMLQNQCCMHBJR-GFCCVEGCSA-N -1 0 343.301 3.692 20 0 EHADRM CCC[C@H](NC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1)C(C)(C)C ZINC001595599055 981570202 /nfs/dbraw/zinc/57/02/02/981570202.db2.gz SGSFDBZXLDNWOI-OXJNMPFZSA-N -1 0 346.471 3.639 20 0 EHADRM CCC[C@@H](NC(=O)NCCCCC1(C(=O)[O-])CCC1)c1ccccn1 ZINC001595599906 981574909 /nfs/dbraw/zinc/57/49/09/981574909.db2.gz IEHSHFFTOIVYPA-MRXNPFEDSA-N -1 0 347.459 3.647 20 0 EHADRM CCC[C@@H](NCc1nc(C(=O)[O-])cs1)c1ccc(F)cc1F ZINC001595599951 981575691 /nfs/dbraw/zinc/57/56/91/981575691.db2.gz DGCARWJTCZPGBM-GFCCVEGCSA-N -1 0 326.368 3.751 20 0 EHADRM CCC[C@@H](NC(=O)Nc1ccc(CC(=O)[O-])c(F)c1)C1CCCC1 ZINC001595600314 981578930 /nfs/dbraw/zinc/57/89/30/981578930.db2.gz NTJMJWAJLUPHCR-MRXNPFEDSA-N -1 0 336.407 3.933 20 0 EHADRM CCCN(CCc1cccs1)C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000909729286 981582674 /nfs/dbraw/zinc/58/26/74/981582674.db2.gz OKOTVHMLUBOQAD-UHFFFAOYSA-N -1 0 349.496 3.954 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N1CCC(c2c(Cl)cccc2Cl)CC1 ZINC001594742740 981618545 /nfs/dbraw/zinc/61/85/45/981618545.db2.gz GQZSWTCSKOMNPH-NSHDSACASA-N -1 0 344.238 3.810 20 0 EHADRM CCC[C@@H](OCC)C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC001595614666 981632359 /nfs/dbraw/zinc/63/23/59/981632359.db2.gz BXUGNABHHHXTGB-GFCCVEGCSA-N -1 0 339.457 3.859 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N[C@H](C)c1cccc(SC(F)(F)F)c1 ZINC001594747100 981637347 /nfs/dbraw/zinc/63/73/47/981637347.db2.gz GUEBJNQSZQRATM-KCJUWKMLSA-N -1 0 335.347 3.587 20 0 EHADRM CC(C)[C@H]1C[C@H](CC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)CCO1 ZINC000909831195 981648628 /nfs/dbraw/zinc/64/86/28/981648628.db2.gz NTUNPVNVAQVTFX-JJRVBVJISA-N -1 0 333.428 3.655 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@H]2CCC(=O)c3ccccc32)cc1 ZINC000909837063 981658308 /nfs/dbraw/zinc/65/83/08/981658308.db2.gz SZRKJXXJXIDXIZ-SJCJKPOMSA-N -1 0 337.375 3.574 20 0 EHADRM CCN(C)[C@H](C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC000909841957 981663025 /nfs/dbraw/zinc/66/30/25/981663025.db2.gz VYCMPBDLILMMTR-KDOFPFPSSA-N -1 0 340.423 3.506 20 0 EHADRM CC[C@@H]1C[C@@H](C(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)CCO1 ZINC000909845234 981669598 /nfs/dbraw/zinc/66/95/98/981669598.db2.gz RFSCEFKZTADBMH-YESZJQIVSA-N -1 0 339.476 3.512 20 0 EHADRM CCC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001595621461 981700297 /nfs/dbraw/zinc/70/02/97/981700297.db2.gz IQHGEELLHOHYSS-DOMZBBRYSA-N -1 0 334.416 3.874 20 0 EHADRM CCC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(C(=O)[O-])c(OC)c1 ZINC001595621781 981703114 /nfs/dbraw/zinc/70/31/14/981703114.db2.gz OLHNPMYEZXLZHV-GDBMZVCRSA-N -1 0 348.443 3.552 20 0 EHADRM CCC[C@@H]1CCCC[C@H]1CNC(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001595622499 981711055 /nfs/dbraw/zinc/71/10/55/981711055.db2.gz ULTIYIHAWQRVDK-CABCVRRESA-N -1 0 348.443 3.878 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1CCC[C@@H]3CCCC[C@@H]13)C2 ZINC000910039995 981739408 /nfs/dbraw/zinc/73/94/08/981739408.db2.gz KPOQWCRIIFEKRM-MORSLUCNSA-N -1 0 327.424 3.834 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1ccc2nc(C)oc2c1)c1ccccc1 ZINC001594770805 981742119 /nfs/dbraw/zinc/74/21/19/981742119.db2.gz NXRKYTZNWBYZSF-MRXNPFEDSA-N -1 0 338.363 3.646 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1ccc2ccn(C)c2c1)c1ccccc1 ZINC001594771456 981748192 /nfs/dbraw/zinc/74/81/92/981748192.db2.gz ZECWZGFZRUYNIU-QGZVFWFLSA-N -1 0 336.391 3.688 20 0 EHADRM CC[C@H](C(=O)O[C@@H](C(=O)[O-])C1CC1)c1cccc(C(F)(F)F)c1 ZINC001594775828 981761963 /nfs/dbraw/zinc/76/19/63/981761963.db2.gz XGNNVJJKNUGCJG-QWHCGFSZSA-N -1 0 330.302 3.605 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)/C=C(/C)c1cccc(OC)c1 ZINC001594780824 981785053 /nfs/dbraw/zinc/78/50/53/981785053.db2.gz HUYBGRWDRMDRHU-QKQONQEDSA-N -1 0 345.439 3.590 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)CCc1ccc(C)cc1C ZINC001594780893 981785606 /nfs/dbraw/zinc/78/56/06/981785606.db2.gz IXDGFVIRFTTWIQ-FQEVSTJZSA-N -1 0 331.456 3.728 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)CCCc1ccc(OC)cc1 ZINC001594783734 981796024 /nfs/dbraw/zinc/79/60/24/981796024.db2.gz ZSWITGWDUDXCKD-HXUWFJFHSA-N -1 0 347.455 3.510 20 0 EHADRM CCCC[C@@H](C)N(C)S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC001595631319 981836486 /nfs/dbraw/zinc/83/64/86/981836486.db2.gz KSOQUQFNFZTMJJ-SNVBAGLBSA-N -1 0 347.864 3.546 20 0 EHADRM CCCC[C@H](C)N(CCCC)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001595631786 981844101 /nfs/dbraw/zinc/84/41/01/981844101.db2.gz DBYGCECUVZBNNI-AWEZNQCLSA-N -1 0 341.473 3.754 20 0 EHADRM CCC(C)(C)C(=O)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001594791925 981855058 /nfs/dbraw/zinc/85/50/58/981855058.db2.gz RUWJGXXMDFNBOT-HNNXBMFYSA-N -1 0 347.455 3.621 20 0 EHADRM CCCC[C@@H](CC)CNC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001595632795 981860670 /nfs/dbraw/zinc/86/06/70/981860670.db2.gz QXNFVGRQIHTDHJ-OXQOHEQNSA-N -1 0 346.471 3.641 20 0 EHADRM CCCC[C@H](CC)CNC(=S)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC001595632905 981861965 /nfs/dbraw/zinc/86/19/65/981861965.db2.gz VLRWMTUPIOJHSJ-YHUYYLMFSA-N -1 0 340.533 3.653 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cccc2c1CCCC2 ZINC001594792745 981862473 /nfs/dbraw/zinc/86/24/73/981862473.db2.gz PWEDQZUKUMPOON-FQEVSTJZSA-N -1 0 329.440 3.671 20 0 EHADRM C[C@@H](C(=O)N[C@](C)(CC(=O)[O-])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000910313592 981868075 /nfs/dbraw/zinc/86/80/75/981868075.db2.gz KWGQZINXAZFLLV-QLJPJBMISA-N -1 0 343.345 3.569 20 0 EHADRM CCCC[C@H](NC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001595634208 981883994 /nfs/dbraw/zinc/88/39/94/981883994.db2.gz KQJYNGMWZCAVGV-GWCFXTLKSA-N -1 0 331.334 3.569 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)c2cscc2C(F)F)c2ccccc21 ZINC000910361023 981890639 /nfs/dbraw/zinc/89/06/39/981890639.db2.gz PMHFOHKQOGOQKI-SECBINFHSA-N -1 0 337.347 3.904 20 0 EHADRM CCC(C)(C)N(C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC001594801501 981897748 /nfs/dbraw/zinc/89/77/48/981897748.db2.gz MXKAGFADNGCUHX-ZDUSSCGKSA-N -1 0 326.824 3.686 20 0 EHADRM CCC(C)(C)NC(=O)c1ccc(NCc2cc(C)c(C(=O)[O-])[nH]2)cc1 ZINC001594806053 981910715 /nfs/dbraw/zinc/91/07/15/981910715.db2.gz PCIMBKGFSFFPTG-UHFFFAOYSA-N -1 0 343.427 3.552 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](Nc2nn3cc(-c4ccccc4)nc3s2)C1 ZINC000910396895 981917644 /nfs/dbraw/zinc/91/76/44/981917644.db2.gz LIRTWPPWGAVADQ-YPMHNXCESA-N -1 0 342.424 3.513 20 0 EHADRM CCCC[C@@H](NC(=O)c1sc(C2CCCCC2)nc1C)C(=O)[O-] ZINC001595637471 981931173 /nfs/dbraw/zinc/93/11/73/981931173.db2.gz IJTYEYOTYDESFD-CYBMUJFWSA-N -1 0 338.473 3.872 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@]2(C)Cc2ccc(F)cc2)oc1C(=O)[O-] ZINC000910536396 981987159 /nfs/dbraw/zinc/98/71/59/981987159.db2.gz QZLCUZAQGLGBDN-LJQANCHMSA-N -1 0 345.370 3.663 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(/C=C\C(=O)[O-])o2)[C@H]1c1ccccc1 ZINC000910544116 981988386 /nfs/dbraw/zinc/98/83/86/981988386.db2.gz HGATTYXFLLVHOR-MJYMGPRWSA-N -1 0 325.364 3.601 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1sc(C2CCCCC2)nc1C ZINC001594826838 981993655 /nfs/dbraw/zinc/99/36/55/981993655.db2.gz WUIRQQCPTXVWAQ-QGZVFWFLSA-N -1 0 338.473 3.872 20 0 EHADRM CCCC[C@@H](OC(=O)c1csc(Cc2ccc(C)cc2)n1)C(=O)[O-] ZINC001595650985 982015508 /nfs/dbraw/zinc/01/55/08/982015508.db2.gz ARSBKCQGWQAEEN-OAHLLOKOSA-N -1 0 347.436 3.843 20 0 EHADRM CCCC[C@H](S[C@H](C)C(=O)N1CCCc2ccccc21)C(=O)[O-] ZINC001595650973 982015899 /nfs/dbraw/zinc/01/58/99/982015899.db2.gz AORMPBFHKNKCCJ-CJNGLKHVSA-N -1 0 335.469 3.731 20 0 EHADRM Cc1cn(C2CCCCC2)nc1NC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000910648617 982040938 /nfs/dbraw/zinc/04/09/38/982040938.db2.gz WEPBJJROIFXPGP-UHFFFAOYSA-N -1 0 345.443 3.670 20 0 EHADRM CCCC[C@H](SCCC(=O)Nc1cccc(F)c1C)C(=O)[O-] ZINC001595654826 982041928 /nfs/dbraw/zinc/04/19/28/982041928.db2.gz FQKNIJHROMPHGU-AWEZNQCLSA-N -1 0 327.421 3.839 20 0 EHADRM CCc1c(NC(=O)c2ccc(C(=O)[O-])s2)cnn1CCC(C)C ZINC000910655904 982043547 /nfs/dbraw/zinc/04/35/47/982043547.db2.gz KSSKVHLFEWZXIV-UHFFFAOYSA-N -1 0 335.429 3.504 20 0 EHADRM CCCC[C@H](SCC(=O)Nc1ccc(OC)c(Cl)c1)C(=O)[O-] ZINC001595656563 982054003 /nfs/dbraw/zinc/05/40/03/982054003.db2.gz ZZSMSYDSKJDDAO-ZDUSSCGKSA-N -1 0 345.848 3.664 20 0 EHADRM CC[C@](C)(NC(=O)Nc1ccc(C(=O)[O-])cc1C)c1nccs1 ZINC001594842767 982064517 /nfs/dbraw/zinc/06/45/17/982064517.db2.gz WQSWGHJDUQABGA-INIZCTEOSA-N -1 0 333.413 3.597 20 0 EHADRM CCCC[C@@H](SCc1noc(-c2ccc(F)cc2F)n1)C(=O)[O-] ZINC001595657775 982066536 /nfs/dbraw/zinc/06/65/36/982066536.db2.gz RXRYYPMOLGNIQF-GFCCVEGCSA-N -1 0 342.367 3.891 20 0 EHADRM CC(C)c1sc(NC(=O)c2ccc(Cl)s2)nc1C(=O)[O-] ZINC000910696110 982066686 /nfs/dbraw/zinc/06/66/86/982066686.db2.gz CDDQNZZJWUGNFT-UHFFFAOYSA-N -1 0 330.818 3.932 20 0 EHADRM CCCC(O)(CCC)CC(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC000910697972 982068868 /nfs/dbraw/zinc/06/88/68/982068868.db2.gz WUSKGSBXDMQZDU-UHFFFAOYSA-N -1 0 342.461 3.625 20 0 EHADRM CCCCC[C@@H](C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)C(C)C ZINC001595663058 982082295 /nfs/dbraw/zinc/08/22/95/982082295.db2.gz QOZRQPQZMQCWNR-NWDGAFQWSA-N -1 0 326.462 3.871 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)c2cc(C)cc(C)c2)nc1C(=O)[O-] ZINC000910721168 982083236 /nfs/dbraw/zinc/08/32/36/982083236.db2.gz CPPGIAKZWWZJQW-CQSZACIVSA-N -1 0 344.436 3.744 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)CCC2CCCC2)nc1C(=O)[O-] ZINC000910723841 982087246 /nfs/dbraw/zinc/08/72/46/982087246.db2.gz RQUKWRCUFVXCDE-ZDUSSCGKSA-N -1 0 336.457 3.784 20 0 EHADRM O=C([O-])c1nc(NC(=O)C[C@H]2CCc3ccccc32)sc1C1CC1 ZINC000910733301 982095060 /nfs/dbraw/zinc/09/50/60/982095060.db2.gz OSHAXIYLKWLGEQ-GFCCVEGCSA-N -1 0 342.420 3.777 20 0 EHADRM CCCCC[C@@H](C)NC(=O)CNc1cc(C(=O)[O-])ccc1Cl ZINC001595666348 982099159 /nfs/dbraw/zinc/09/91/59/982099159.db2.gz IZDMJZIOKIMXSY-LLVKDONJSA-N -1 0 326.824 3.535 20 0 EHADRM O=C([O-])c1nc(NC(=O)[C@H]2CCCC[C@@H]2C2CC2)sc1C1CC1 ZINC000910740830 982101744 /nfs/dbraw/zinc/10/17/44/982101744.db2.gz BXFIYGNJRIRKBN-NEPJUHHUSA-N -1 0 334.441 3.874 20 0 EHADRM O=C([O-])c1nc(NC(=O)[C@H](c2ccccc2)C2CC2)sc1C1CC1 ZINC000910744006 982106334 /nfs/dbraw/zinc/10/63/34/982106334.db2.gz SSLYEEIKXKGRAL-CYBMUJFWSA-N -1 0 342.420 3.851 20 0 EHADRM CCCCC[C@H](C)CC(=O)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001595666830 982107427 /nfs/dbraw/zinc/10/74/27/982107427.db2.gz UCAIBSNMINRJGY-JCGIZDLHSA-N -1 0 347.455 3.625 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NC1CC(CC(=O)[O-])C1 ZINC000910813077 982134412 /nfs/dbraw/zinc/13/44/12/982134412.db2.gz QCZAXGBVNFGQHQ-JBLZRFIASA-N -1 0 344.238 3.542 20 0 EHADRM CC/C(C)=C\C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC001594860665 982140700 /nfs/dbraw/zinc/14/07/00/982140700.db2.gz NPSUTCOPFFJJQI-BLSFAOBESA-N -1 0 325.408 3.556 20 0 EHADRM CCCCC[C@H](NC(=O)c1cc(C2CC2)nc2ccccc21)C(=O)[O-] ZINC001595677212 982150109 /nfs/dbraw/zinc/15/01/09/982150109.db2.gz UKUGOYZYCXVLRN-KRWDZBQOSA-N -1 0 340.423 3.876 20 0 EHADRM CCCCC[C@@H](NC(=O)c1ccc(C)c(-n2cccc2)c1)C(=O)[O-] ZINC001595681581 982163129 /nfs/dbraw/zinc/16/31/29/982163129.db2.gz RXQADWBONOHJOJ-MRXNPFEDSA-N -1 0 328.412 3.549 20 0 EHADRM CSc1ccc(NC(=O)c2cnn(CC(C)C)c2C)cc1C(=O)[O-] ZINC000910947497 982172487 /nfs/dbraw/zinc/17/24/87/982172487.db2.gz FYVDOPYIVOQJOC-UHFFFAOYSA-N -1 0 347.440 3.520 20 0 EHADRM CC[C@H](C)C(=O)Nc1cccc(CNc2ccc(C(=O)[O-])c(C)n2)c1 ZINC001594866029 982172927 /nfs/dbraw/zinc/17/29/27/982172927.db2.gz MZDGKHYEOMDTFZ-LBPRGKRZSA-N -1 0 341.411 3.685 20 0 EHADRM O=C([O-])c1ccc2[nH]cc(C3CCN(C(=O)CCC4CC4)CC3)c2c1 ZINC000910956837 982176184 /nfs/dbraw/zinc/17/61/84/982176184.db2.gz GKHYWFHAEOZNNL-UHFFFAOYSA-N -1 0 340.423 3.762 20 0 EHADRM CCCCCC[C@@H](C)C(=O)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001595695147 982217041 /nfs/dbraw/zinc/21/70/41/982217041.db2.gz PJVNOBGCRPTYHS-FHLIZLRMSA-N -1 0 347.455 3.625 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000911104492 982237989 /nfs/dbraw/zinc/23/79/89/982237989.db2.gz DFRDCKUSFFMREN-OLZOCXBDSA-N -1 0 346.452 3.503 20 0 EHADRM CCCCCCO[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC001595710928 982297075 /nfs/dbraw/zinc/29/70/75/982297075.db2.gz OMCNTPNBUCITPW-NVXWUHKLSA-N -1 0 335.444 3.531 20 0 EHADRM CCCCC[S@@](=O)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001595724023 982343599 /nfs/dbraw/zinc/34/35/99/982343599.db2.gz LBXYWRSWMQNEEH-JOCHJYFZSA-N -1 0 337.466 3.947 20 0 EHADRM CCCCN(C(=O)CCc1ocnc1C(=O)[O-])[C@H](C)c1ccccc1 ZINC001595732155 982367174 /nfs/dbraw/zinc/36/71/74/982367174.db2.gz QDPNSSPRSYLQOG-CQSZACIVSA-N -1 0 344.411 3.695 20 0 EHADRM COC[C@@H](NCc1cccc(O)c1Br)c1ccccc1 ZINC000459423180 1032104170 /nfs/dbraw/zinc/10/41/70/1032104170.db2.gz ZBUPEFNFLKAKQB-CQSZACIVSA-N -1 0 336.229 3.632 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC000911387291 982411284 /nfs/dbraw/zinc/41/12/84/982411284.db2.gz OULKWXUWLLDHHQ-MRXNPFEDSA-N -1 0 330.384 3.542 20 0 EHADRM O=C([O-])C12CCC(C(=O)NC[C@@H]3CCC[C@@H](C(F)(F)F)C3)(CC1)C2 ZINC000911391095 982414547 /nfs/dbraw/zinc/41/45/47/982414547.db2.gz USTVMFNUWSRCSW-CPWXYTRJSA-N -1 0 347.377 3.506 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1ccc(OCC2CCCCC2)cc1)C(=O)[O-] ZINC001594913058 982427949 /nfs/dbraw/zinc/42/79/49/982427949.db2.gz WXBJRXDZONVACC-KSSFIOAISA-N -1 0 347.455 3.875 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1ccccc1NCc1ccccc1C ZINC000911511434 982465397 /nfs/dbraw/zinc/46/53/97/982465397.db2.gz GRLZINCRIAKLJX-OAHLLOKOSA-N -1 0 326.396 3.656 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N2CCC[C@@H]2c2ccc(F)cc2F)c1 ZINC000911544179 982487725 /nfs/dbraw/zinc/48/77/25/982487725.db2.gz HKUTZYRMBMHFMO-QGZVFWFLSA-N -1 0 345.345 3.569 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)Nc1ccccc1N[C@H](C)c1ccccc1 ZINC000911557823 982500515 /nfs/dbraw/zinc/50/05/15/982500515.db2.gz JTFAQHWLKZXIDZ-HIFRSBDPSA-N -1 0 326.396 3.909 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000911574497 982512658 /nfs/dbraw/zinc/51/26/58/982512658.db2.gz UNLIFNOZLDQMDS-CRAIPNDOSA-N -1 0 341.382 3.519 20 0 EHADRM COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)CCCCC(=O)[O-] ZINC000911575031 982512954 /nfs/dbraw/zinc/51/29/54/982512954.db2.gz XOXHTJNXQNZOKG-GOEBONIOSA-N -1 0 333.428 3.640 20 0 EHADRM CC[C@H](C)[C@H](Sc1nnc(NCc2ccccc2)s1)C(=O)[O-] ZINC001594928503 982538959 /nfs/dbraw/zinc/53/89/59/982538959.db2.gz JIHRHSWLTGWXML-JQWIXIFHSA-N -1 0 337.470 3.742 20 0 EHADRM CC[C@@H](C)[C@H](Sc1nnc(NC2CCCCC2)s1)C(=O)[O-] ZINC001594930425 982552391 /nfs/dbraw/zinc/55/23/91/982552391.db2.gz WRVZIVCFCDUNOG-KOLCDFICSA-N -1 0 329.491 3.874 20 0 EHADRM CCCCc1ccc(C(=O)N[C@](C)(CC(=O)[O-])c2ccncc2)cc1 ZINC000911619368 982559190 /nfs/dbraw/zinc/55/91/90/982559190.db2.gz FQCKGLDNIHMRTG-HXUWFJFHSA-N -1 0 340.423 3.544 20 0 EHADRM CCCCOc1cccc(NC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])c1 ZINC001595781245 982560959 /nfs/dbraw/zinc/56/09/59/982560959.db2.gz VSTNRKQMAFDKDY-XJKSGUPXSA-N -1 0 334.416 3.630 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCc2cc(Cl)c(Cl)cc2[C@@H]1C ZINC000911651013 982583781 /nfs/dbraw/zinc/58/37/81/982583781.db2.gz KMJFCUADTDVIFU-UWVGGRQHSA-N -1 0 344.238 3.940 20 0 EHADRM CCCCc1ccc(C(=O)N(CC(=O)[O-])c2cccc(F)c2)cc1 ZINC001595793123 982594567 /nfs/dbraw/zinc/59/45/67/982594567.db2.gz DSZVPGGKYKAHCD-UHFFFAOYSA-N -1 0 329.371 3.900 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccncc2)cc1Cl ZINC000911668003 982595067 /nfs/dbraw/zinc/59/50/67/982595067.db2.gz HVWDEHQNNJNMCY-MRXNPFEDSA-N -1 0 346.814 3.804 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(C(C)C)c(C)c1)C(=O)[O-] ZINC001594937188 982598163 /nfs/dbraw/zinc/59/81/63/982598163.db2.gz RUQFMIVQCJYGJE-JOQOYGCGSA-N -1 0 349.471 3.891 20 0 EHADRM CCCCc1ccc(OS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC001595795879 982599506 /nfs/dbraw/zinc/59/95/06/982599506.db2.gz DBCCOUGTBVENRP-UHFFFAOYSA-N -1 0 348.420 3.804 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)Cc1ccccc1OC1CCCC1)C(=O)[O-] ZINC001594941772 982614810 /nfs/dbraw/zinc/61/48/10/982614810.db2.gz CEROHDMJBAQRBG-YOEHRIQHSA-N -1 0 347.455 3.556 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)N[C@H](C[C@@H](C)CC)C(=O)[O-] ZINC001594942370 982619511 /nfs/dbraw/zinc/61/95/11/982619511.db2.gz OXESSDHHGMZRAE-SQWLQELKSA-N -1 0 335.444 3.585 20 0 EHADRM CCCCc1noc(COc2cccc3c(CC(=O)[O-])cccc23)n1 ZINC001595802665 982620953 /nfs/dbraw/zinc/62/09/53/982620953.db2.gz OKCWHUBDWYOKBD-UHFFFAOYSA-N -1 0 340.379 3.772 20 0 EHADRM Cc1ccccc1CC(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC000911739819 982622080 /nfs/dbraw/zinc/62/20/80/982622080.db2.gz XUEZWEZAUBDWKY-UHFFFAOYSA-N -1 0 327.380 3.662 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)c1ccc(-c2ccncc2)c(F)c1)C(=O)[O-] ZINC001594946212 982639902 /nfs/dbraw/zinc/63/99/02/982639902.db2.gz LZRPDTHISMWAPT-YVEFUNNKSA-N -1 0 344.386 3.507 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)c1cc(-n2cccc2)ccc1Cl)C(=O)[O-] ZINC001594946535 982641903 /nfs/dbraw/zinc/64/19/03/982641903.db2.gz XORUHTOBMVKNNR-LRDDRELGSA-N -1 0 348.830 3.750 20 0 EHADRM O=C([O-])c1cc(NC(=O)COc2cccc3ccccc32)ccc1F ZINC000914729329 982654567 /nfs/dbraw/zinc/65/45/67/982654567.db2.gz CMXMVQNWVUNQEU-UHFFFAOYSA-N -1 0 339.322 3.695 20 0 EHADRM CC[C@H](C)CCC(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC001594951772 982661315 /nfs/dbraw/zinc/66/13/15/982661315.db2.gz BLAHKOYQBNTCGV-HNNXBMFYSA-N -1 0 331.456 3.992 20 0 EHADRM CCCN(C(=O)[C@@H](C)c1ccccc1C(F)(F)F)[C@H](C)C(=O)[O-] ZINC001595814979 982662299 /nfs/dbraw/zinc/66/22/99/982662299.db2.gz WIWMXMJKUWZZAC-WDEREUQCSA-N -1 0 331.334 3.521 20 0 EHADRM CCCN(C(=O)CC(C)(C)CC(=O)c1ccc(C)cc1)[C@@H](C)C(=O)[O-] ZINC001595816447 982673221 /nfs/dbraw/zinc/67/32/21/982673221.db2.gz IIYLGQVFXVIOEP-HNNXBMFYSA-N -1 0 347.455 3.696 20 0 EHADRM CC[C@@H](C)CC[C@@H](O)CC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001594957756 982693361 /nfs/dbraw/zinc/69/33/61/982693361.db2.gz MQMFJZBWYHMSIU-ZYHUDNBSSA-N -1 0 327.808 3.554 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000923093363 982718362 /nfs/dbraw/zinc/71/83/62/982718362.db2.gz LOSHMDPMWLJAHL-UWVGGRQHSA-N -1 0 337.347 3.775 20 0 EHADRM CCCN(C)c1ccc(C(=O)O[C@@H](C)c2cc(C(=O)[O-])co2)cc1 ZINC001595839236 982750975 /nfs/dbraw/zinc/75/09/75/982750975.db2.gz CVLHKISQADJXBF-LBPRGKRZSA-N -1 0 331.368 3.742 20 0 EHADRM CCCN(C)c1ccc(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)cc1 ZINC001595840051 982758766 /nfs/dbraw/zinc/75/87/66/982758766.db2.gz PDJQCMWUJJRNTO-UHFFFAOYSA-N -1 0 348.349 3.762 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])Cc1nnc(-c2cccc3ccccc32)o1 ZINC001594981888 982775517 /nfs/dbraw/zinc/77/55/17/982775517.db2.gz MHEATQAZHADZNF-ZDUSSCGKSA-N -1 0 339.395 3.575 20 0 EHADRM O=C([O-])CCC1(NC(=O)c2ccc3ccncc3c2)CCCCC1 ZINC000923213142 982843817 /nfs/dbraw/zinc/84/38/17/982843817.db2.gz RXLGDUGLSDZNQQ-UHFFFAOYSA-N -1 0 326.396 3.532 20 0 EHADRM O=C([O-])CCC1(NC(=O)c2ccc(C(F)F)cc2)CCCCC1 ZINC000923214836 982845716 /nfs/dbraw/zinc/84/57/16/982845716.db2.gz VOCASUPVCGJRCI-UHFFFAOYSA-N -1 0 325.355 3.922 20 0 EHADRM CCCN(CCC)c1ccc(NC(=O)C23CC(C(=O)[O-])(C2)C3)cc1 ZINC001595877688 982867670 /nfs/dbraw/zinc/86/76/70/982867670.db2.gz RIEGETODFLCQMA-UHFFFAOYSA-N -1 0 330.428 3.506 20 0 EHADRM CC[C@H](C)Oc1cc(Nc2ccc(CCC(=O)[O-])cc2)nc(C)n1 ZINC001594999978 982911189 /nfs/dbraw/zinc/91/11/89/982911189.db2.gz QWOHKKCKCFIVRB-LBPRGKRZSA-N -1 0 329.400 3.723 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001595004142 982916629 /nfs/dbraw/zinc/91/66/29/982916629.db2.gz HJOPTUQHLFPZDV-LXKVQUBZSA-N -1 0 342.395 3.553 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)N1CCCCC[C@H]1C(=O)[O-] ZINC001595004216 982917819 /nfs/dbraw/zinc/91/78/19/982917819.db2.gz IDYQBIMWQODKKU-GSTOJPGVSA-N -1 0 345.439 3.733 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C\C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001595004651 982918327 /nfs/dbraw/zinc/91/83/27/982918327.db2.gz JNBQJXMKLIOFKD-GFDGVOOKSA-N -1 0 345.439 3.637 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)N[C@H](CC(C)(C)C)C(=O)[O-] ZINC001595005718 982920949 /nfs/dbraw/zinc/92/09/49/982920949.db2.gz QWFRAHVNIWHBHF-OYMMPWNUSA-N -1 0 347.455 3.883 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)NC2(CC(=O)[O-])CCCCC2)n1 ZINC001595009736 982936184 /nfs/dbraw/zinc/93/61/84/982936184.db2.gz XTZFDOKMRZSCLO-CYBMUJFWSA-N -1 0 349.431 3.558 20 0 EHADRM CC[C@@H](C)c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC001595009879 982937508 /nfs/dbraw/zinc/93/75/08/982937508.db2.gz KXGRDGIUUQZTRT-PXAZEXFGSA-N -1 0 329.371 3.895 20 0 EHADRM CC(=O)c1ccc(CN(CCC(=O)[O-])Cc2ccc(F)c(F)c2)cc1 ZINC001118321301 982952498 /nfs/dbraw/zinc/95/24/98/982952498.db2.gz KKZMKENVXOUNBR-UHFFFAOYSA-N -1 0 347.361 3.644 20 0 EHADRM CN(C(=O)c1ccc(COc2ccccc2)cc1)C(C)(C)CC(=O)[O-] ZINC001118752148 982961534 /nfs/dbraw/zinc/96/15/34/982961534.db2.gz NISKBDALWVLDAM-UHFFFAOYSA-N -1 0 341.407 3.591 20 0 EHADRM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(C)C(C)(C)CC(=O)[O-] ZINC001118751541 982961659 /nfs/dbraw/zinc/96/16/59/982961659.db2.gz GXWBXTHXJUJQTC-NSHDSACASA-N -1 0 345.361 3.596 20 0 EHADRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)NCC1(C(=O)[O-])CCCC1 ZINC001119575068 982988327 /nfs/dbraw/zinc/98/83/27/982988327.db2.gz RSHAGSKEFHJPDV-UHFFFAOYSA-N -1 0 334.803 3.505 20 0 EHADRM Cc1nc(-c2ccccc2C)sc1C(=O)N(C)C(C)(C)CC(=O)[O-] ZINC001119582126 982992753 /nfs/dbraw/zinc/99/27/53/982992753.db2.gz SYWBEWQYKLUAPG-UHFFFAOYSA-N -1 0 346.452 3.752 20 0 EHADRM O=C([O-])c1cccc(Cc2cnc(NC(=O)C3(CF)CCC3)s2)c1 ZINC001119649702 983016847 /nfs/dbraw/zinc/01/68/47/983016847.db2.gz WBWDMUJBRLBUKH-UHFFFAOYSA-N -1 0 348.399 3.510 20 0 EHADRM C[C@](NC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21)(C(=O)[O-])c1ccccc1 ZINC001573611904 983068708 /nfs/dbraw/zinc/06/87/08/983068708.db2.gz VFTLOQMVWTYGTK-XNWPKKHHSA-N -1 0 329.440 3.709 20 0 EHADRM CCCOc1ccc(-c2nc(C(=O)O[C@@H](C)CC(=O)[O-])cs2)cc1 ZINC001595953019 983132661 /nfs/dbraw/zinc/13/26/61/983132661.db2.gz YWVGQLZFYQPVEC-NSHDSACASA-N -1 0 349.408 3.619 20 0 EHADRM CCCOc1ccc(C(=O)Nc2sccc2C(=O)[O-])cc1OCC ZINC001595954519 983138618 /nfs/dbraw/zinc/13/86/18/983138618.db2.gz KSHTVTRUVJFHJB-UHFFFAOYSA-N -1 0 349.408 3.886 20 0 EHADRM CCCOc1ccc([C@@H](C)Nc2cc(C(=O)[O-])ccn2)cc1OC ZINC001595954742 983139878 /nfs/dbraw/zinc/13/98/78/983139878.db2.gz UTJMTDNBIAHLCV-GFCCVEGCSA-N -1 0 330.384 3.750 20 0 EHADRM CCCOc1ccc(N[C@@H](C)c2cncc(C(=O)[O-])c2)cc1OC ZINC001595966200 983171583 /nfs/dbraw/zinc/17/15/83/983171583.db2.gz FFOASYAKUURWDN-LBPRGKRZSA-N -1 0 330.384 3.750 20 0 EHADRM CCCOc1cccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2C)c1 ZINC001595967186 983176561 /nfs/dbraw/zinc/17/65/61/983176561.db2.gz CRMRTABJBAZYGW-UHFFFAOYSA-N -1 0 331.343 3.873 20 0 EHADRM CCCSc1cccc(NC(=O)c2ccc(/C=C/C(=O)[O-])o2)n1 ZINC001595987350 983238670 /nfs/dbraw/zinc/23/86/70/983238670.db2.gz FBAFVFYSDFWWQI-VQHVLOKHSA-N -1 0 332.381 3.527 20 0 EHADRM CCC[C@@H]1C[C@H]1C(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC001596008495 983266668 /nfs/dbraw/zinc/26/66/68/983266668.db2.gz RNLDDTOVDYIBSO-BXKDBHETSA-N -1 0 340.217 3.830 20 0 EHADRM CCCc1c(C(=O)NC[C@@H]2CCC[C@@H](C)[C@@H]2C)[nH]c(C)c1C(=O)[O-] ZINC001596037198 983318195 /nfs/dbraw/zinc/31/81/95/983318195.db2.gz GSLFKDZUEMRKEF-DYEKYZERSA-N -1 0 334.460 3.776 20 0 EHADRM CCCc1cc(C(=O)N(C)Cc2ccc(C(=O)[O-])cn2)ccc1Cl ZINC001596052866 983353223 /nfs/dbraw/zinc/35/32/23/983353223.db2.gz HYYXHEMPQHOCCM-UHFFFAOYSA-N -1 0 346.814 3.658 20 0 EHADRM CCCc1nc(C)c(CNC(=O)Nc2ccc(C(=O)[O-])cc2CC)o1 ZINC001596082909 983403403 /nfs/dbraw/zinc/40/34/03/983403403.db2.gz DBNYICGTQXKYQC-UHFFFAOYSA-N -1 0 345.399 3.518 20 0 EHADRM CCCn1ncc(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])c1C ZINC001596120969 983457103 /nfs/dbraw/zinc/45/71/03/983457103.db2.gz MTULCJSLIWIKDH-UHFFFAOYSA-N -1 0 329.400 3.675 20 0 EHADRM CCN(C(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1)C(C)(C)C(=O)[O-] ZINC001596131747 983479471 /nfs/dbraw/zinc/47/94/71/983479471.db2.gz RUMBSXLLCVHJCQ-AWEZNQCLSA-N -1 0 335.444 3.597 20 0 EHADRM CCN(C(=O)Cc1csc2sc(C)cc12)C(C)(C)C(=O)[O-] ZINC001596147973 983503400 /nfs/dbraw/zinc/50/34/00/983503400.db2.gz NCBWFPMQLNODBB-UHFFFAOYSA-N -1 0 325.455 3.525 20 0 EHADRM CCN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)[C@H](C)c1cc2ccccc2o1 ZINC001596157206 983518129 /nfs/dbraw/zinc/51/81/29/983518129.db2.gz ZEGAQNVLYULSQM-VHDGCEQUSA-N -1 0 329.396 3.843 20 0 EHADRM CCN(CCc1cccs1)C(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001596351846 983810081 /nfs/dbraw/zinc/81/00/81/983810081.db2.gz IDCQZKBBRHVWOT-UHFFFAOYSA-N -1 0 332.425 3.851 20 0 EHADRM CCN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1ccc(/C=C\C(=O)[O-])o1 ZINC001596395013 983931697 /nfs/dbraw/zinc/93/16/97/983931697.db2.gz QZDDGMVKSDTCRA-SBSDFTTDSA-N -1 0 346.770 3.617 20 0 EHADRM CCOC(=O)CC(C)(C)CNc1ccc2sc(C(=O)[O-])cc2c1 ZINC001596588299 984524872 /nfs/dbraw/zinc/52/48/72/984524872.db2.gz SGOXJDJUWCNNFL-UHFFFAOYSA-N -1 0 335.425 3.991 20 0 EHADRM Cc1cc(F)c(S(=O)(=O)[N-]c2nc(C3CCC3)cs2)c(F)c1 ZINC000579823050 1015048830 /nfs/dbraw/zinc/04/88/30/1015048830.db2.gz LVLDQLUQXHSPSG-UHFFFAOYSA-N -1 0 344.408 3.798 20 0 EHADRM C/C(=C/C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1)c1ccccc1 ZINC001588938333 984620911 /nfs/dbraw/zinc/62/09/11/984620911.db2.gz BZHYQUUAUCAZEU-XXTMNZORSA-N -1 0 329.440 3.877 20 0 EHADRM C/C(=C/C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1C ZINC001588938753 984624232 /nfs/dbraw/zinc/62/42/32/984624232.db2.gz KNZLWYMZUHAWHE-DEQJRXDXSA-N -1 0 341.382 3.522 20 0 EHADRM C/C(=C\C(=O)Nc1cc(CCC(=O)[O-])ccc1O)c1cccs1 ZINC001588943941 984642665 /nfs/dbraw/zinc/64/26/65/984642665.db2.gz JUXOYYIOCGXUHS-PKNBQFBNSA-N -1 0 331.393 3.513 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)C1CC2(C1)CCCCC2 ZINC001599886650 984644114 /nfs/dbraw/zinc/64/41/14/984644114.db2.gz SALIOUYGRROSGI-OAHLLOKOSA-N -1 0 329.440 3.849 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)Nc1cc(Cl)ccc1OCC1CCC1 ZINC001599888019 984660537 /nfs/dbraw/zinc/66/05/37/984660537.db2.gz YZEICGXWXLZAID-SNVBAGLBSA-N -1 0 340.807 3.504 20 0 EHADRM CC(C)[C@@H](NC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2)C(=O)[O-] ZINC001588950181 984680223 /nfs/dbraw/zinc/68/02/23/984680223.db2.gz KNHJCKBWMPLWPS-SWLSCSKDSA-N -1 0 337.485 3.738 20 0 EHADRM C[C@H](CC(=O)[O-])OC(=O)CCCc1cc(Cl)sc1Cl ZINC001599889776 984680893 /nfs/dbraw/zinc/68/08/93/984680893.db2.gz ZEENXJWFHSMEJE-SSDOTTSWSA-N -1 0 325.213 3.784 20 0 EHADRM C[C@H](OC(=O)COC/C=C\c1ccccc1)c1ccc(C(=O)[O-])cc1 ZINC001599904742 984907126 /nfs/dbraw/zinc/90/71/26/984907126.db2.gz UOFQHUJJLRGAMB-KKTNHOPESA-N -1 0 340.375 3.719 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001588995846 984928935 /nfs/dbraw/zinc/92/89/35/984928935.db2.gz UEACQWGYSYWJLM-RVDMUPIBSA-N -1 0 335.403 3.681 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC001588999357 984937658 /nfs/dbraw/zinc/93/76/58/984937658.db2.gz SUCOWNWFBXVWBT-BENRWUELSA-N -1 0 325.339 3.517 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)c2cccc(C(F)F)c2F)(C(=O)[O-])CC1 ZINC001599907363 984941556 /nfs/dbraw/zinc/94/15/56/984941556.db2.gz CSKXCQNRTQQJRE-QLKSEXHHSA-N -1 0 329.318 3.527 20 0 EHADRM C/C(=C\c1cccnc1)C(=O)Oc1cccc2c(CC(=O)[O-])cccc12 ZINC001589011058 984986642 /nfs/dbraw/zinc/98/66/42/984986642.db2.gz UHKYXCOGMDVORW-SDNWHVSQSA-N -1 0 347.370 3.871 20 0 EHADRM C[C@H]1CN(C(=O)N[C@H](c2ccccc2)C2CCCC2)CC[C@H]1C(=O)[O-] ZINC001599917648 985081288 /nfs/dbraw/zinc/08/12/88/985081288.db2.gz UZUCLMCZUIQKJO-BMGDILEWSA-N -1 0 344.455 3.670 20 0 EHADRM C[C@H]1CN(C(=O)N[C@@H]2CCC[C@H](C(C)(C)C)CC2)CC[C@H]1C(=O)[O-] ZINC001599918926 985102099 /nfs/dbraw/zinc/10/20/99/985102099.db2.gz RAEDQWFKCFTSOM-CAOSSQGBSA-N -1 0 338.492 3.734 20 0 EHADRM C[C@H]1c2ccccc2C[C@H]1Nc1ncc(C(=O)[O-])cc1C(F)(F)F ZINC001599937897 985418772 /nfs/dbraw/zinc/41/87/72/985418772.db2.gz PDHDBGPINCXFDT-LKFCYVNXSA-N -1 0 336.313 3.939 20 0 EHADRM C[C@]12CCCC[C@H]1CN2C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001599938590 985426886 /nfs/dbraw/zinc/42/68/86/985426886.db2.gz YCZDIPUEKLONGS-VOJFVSQTSA-N -1 0 327.384 3.663 20 0 EHADRM C[Si](C)(C)CCCC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC001599939759 985440518 /nfs/dbraw/zinc/44/05/18/985440518.db2.gz JQIUUYOEWMWGPK-INIZCTEOSA-N -1 0 335.520 3.697 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)[C@H]2CCCC[C@@H]12 ZINC001594478578 985505500 /nfs/dbraw/zinc/50/55/00/985505500.db2.gz OVSOIEHQGFVXRW-PUYPPJJSSA-N -1 0 338.354 3.705 20 0 EHADRM Cc1[nH]c(C(=O)CN(C)[C@H](C)c2cccc(Cl)c2)c(C)c1C(=O)[O-] ZINC001599945910 985527643 /nfs/dbraw/zinc/52/76/43/985527643.db2.gz ZOYCZKGZFWYRRO-GFCCVEGCSA-N -1 0 348.830 3.859 20 0 EHADRM CC(=O)Nc1cc(N[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])ccc1C ZINC001589182203 985558378 /nfs/dbraw/zinc/55/83/78/985558378.db2.gz JTDCFGRPAYRDIR-QGZVFWFLSA-N -1 0 346.814 3.715 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(C(=O)[O-])ccc2Cl)Cc2ccccc21 ZINC001594488877 985587367 /nfs/dbraw/zinc/58/73/67/985587367.db2.gz KORDWGHSEZDOMY-NSHDSACASA-N -1 0 329.783 3.798 20 0 EHADRM Cc1[nH]c(C(=O)N2CCC[C@@H]2/C=C/c2ccccc2)c(C)c1C(=O)[O-] ZINC001599950466 985599979 /nfs/dbraw/zinc/59/99/79/985599979.db2.gz LFVIAFUIMSHLRO-SIFUEBAJSA-N -1 0 338.407 3.648 20 0 EHADRM Cc1[nH]c(C(=O)N2CCC[C@H]2/C=C/c2ccccc2)c(C)c1C(=O)[O-] ZINC001599950465 985600264 /nfs/dbraw/zinc/60/02/64/985600264.db2.gz LFVIAFUIMSHLRO-OFAQMXQXSA-N -1 0 338.407 3.648 20 0 EHADRM Cc1[nH]c(C(=O)N2C[C@H](C)CSc3ccccc32)c(C)c1C(=O)[O-] ZINC001599951063 985607567 /nfs/dbraw/zinc/60/75/67/985607567.db2.gz OFOSRUHPQXEDAC-JTQLQIEISA-N -1 0 344.436 3.718 20 0 EHADRM Cc1[nH]c(C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)c(C)c1C(=O)[O-] ZINC001599953790 985653955 /nfs/dbraw/zinc/65/39/55/985653955.db2.gz LHJHKLLOWPBOIQ-MQMHXKEQSA-N -1 0 346.814 3.659 20 0 EHADRM CC(=O)Nc1ccc(S[C@@H](Cc2ccc(F)cc2)C(=O)[O-])cc1 ZINC001589204359 985661479 /nfs/dbraw/zinc/66/14/79/985661479.db2.gz WSCARWLIUMAWKF-INIZCTEOSA-N -1 0 333.384 3.572 20 0 EHADRM CC(=O)Nc1cccc(C(=O)Oc2c(C(=O)[O-])ccc3ccccc32)c1 ZINC001589205198 985668668 /nfs/dbraw/zinc/66/86/68/985668668.db2.gz IVFUNCSVVWPLDF-UHFFFAOYSA-N -1 0 349.342 3.716 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCC[C@H]1C[C@H](C)CC(C)(C)C1 ZINC001599955495 985681889 /nfs/dbraw/zinc/68/18/89/985681889.db2.gz PLTAXYJNWIYFPX-FZMZJTMJSA-N -1 0 334.460 3.912 20 0 EHADRM C[C@@H]1CN([C@H](C(=O)[O-])c2c(F)cccc2Cl)Cc2ccccc2O1 ZINC001594501407 985687484 /nfs/dbraw/zinc/68/74/84/985687484.db2.gz NJARFALCYVUPFT-DIFFPNOSSA-N -1 0 349.789 3.888 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC001599956422 985695822 /nfs/dbraw/zinc/69/58/22/985695822.db2.gz AGDDZBJLRHUPKL-HAQNSBGRSA-N -1 0 346.814 3.659 20 0 EHADRM CC(=O)OCCCSCc1c(C(=O)[O-])sc2cccc(F)c21 ZINC001589228430 985760669 /nfs/dbraw/zinc/76/06/69/985760669.db2.gz HCRVXIJKVBLQOR-UHFFFAOYSA-N -1 0 342.413 3.925 20 0 EHADRM Cc1[nH]c(C(=O)OCc2ccccc2C(F)(F)F)c(C)c1C(=O)[O-] ZINC001599960646 985775248 /nfs/dbraw/zinc/77/52/48/985775248.db2.gz UWDALMWXTQJHGX-UHFFFAOYSA-N -1 0 341.285 3.706 20 0 EHADRM CC(=O)[C@@H]1C[C@H](C(=O)Oc2cc3ccccc3cc2C(=O)[O-])C1(C)C ZINC001589230680 985776644 /nfs/dbraw/zinc/77/66/44/985776644.db2.gz BNSWQOOLUKACDZ-JKSUJKDBSA-N -1 0 340.375 3.695 20 0 EHADRM CCOCCCCCC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001596907487 985890546 /nfs/dbraw/zinc/89/05/46/985890546.db2.gz JCDSYEACCMSRFO-UHFFFAOYSA-N -1 0 348.443 3.520 20 0 EHADRM Cc1[nH]c2c(cccc2C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)c1C ZINC001599965225 985890630 /nfs/dbraw/zinc/89/06/30/985890630.db2.gz QTPQMLCNEOKNRR-UHFFFAOYSA-N -1 0 340.354 3.803 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])[nH]c1NC(=O)c1cc2cccc(C)c2s1 ZINC001589260588 985910587 /nfs/dbraw/zinc/91/05/87/985910587.db2.gz DDQJQORFMOXVGK-UHFFFAOYSA-N -1 0 342.376 3.691 20 0 EHADRM CC(=O)c1cc(F)ccc1OCc1ccc(C(=O)[O-])c2cccnc12 ZINC001589271151 985969038 /nfs/dbraw/zinc/96/90/38/985969038.db2.gz PFSDLSDUYDVRAH-UHFFFAOYSA-N -1 0 339.322 3.854 20 0 EHADRM CC(=O)c1ccc(C(=O)OCc2c3ccccc3sc2C(=O)[O-])o1 ZINC001589279164 986002517 /nfs/dbraw/zinc/00/25/17/986002517.db2.gz NRJZPXRUPPENDK-UHFFFAOYSA-N -1 0 344.344 3.752 20 0 EHADRM Cc1c(C(=O)Nc2ccc(C(=O)[O-])cc2N(C)C)cnc2ccccc12 ZINC001599983711 986200753 /nfs/dbraw/zinc/20/07/53/986200753.db2.gz MBBAMFYMRHNGTA-UHFFFAOYSA-N -1 0 349.390 3.560 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)[C@@H](C)Cc3ccco3)ccc2n1C ZINC001599985502 986221268 /nfs/dbraw/zinc/22/12/68/986221268.db2.gz UUFJRHQPNOTFDY-NSHDSACASA-N -1 0 341.363 3.562 20 0 EHADRM C[C@H]1CN(Cc2ncc(C(=O)[O-])s2)CCc2ccc(Cl)cc21 ZINC001594547339 986223482 /nfs/dbraw/zinc/22/34/82/986223482.db2.gz IQZRSZVLYUWXLS-JTQLQIEISA-N -1 0 336.844 3.657 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)C(C)(C)CC(F)F)ccc2n1C ZINC001599985721 986226113 /nfs/dbraw/zinc/22/61/13/986226113.db2.gz WZQVOZCSMCQASS-UHFFFAOYSA-N -1 0 339.338 3.772 20 0 EHADRM CCOc1c(Cl)cccc1NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC001596993203 986282220 /nfs/dbraw/zinc/28/22/20/986282220.db2.gz YTHLRJAAIHGASG-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM C[C@@H](C(=O)N1CCCc2ccc(C(=O)[O-])cc21)c1c(F)cccc1F ZINC001589359722 986359294 /nfs/dbraw/zinc/35/92/94/986359294.db2.gz XLGQXKBTBFUJNP-LLVKDONJSA-N -1 0 345.345 3.746 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)/C=C/c1ccccc1F ZINC001597016262 986377784 /nfs/dbraw/zinc/37/77/84/986377784.db2.gz SMYAMZDRKVSMCA-CSKARUKUSA-N -1 0 329.327 3.575 20 0 EHADRM C[C@H](C(=O)N1CCc2ccc(C(=O)[O-])cc21)c1cc2ccccc2o1 ZINC001589368064 986394620 /nfs/dbraw/zinc/39/46/20/986394620.db2.gz AHMWPTMIOLQXIJ-LBPRGKRZSA-N -1 0 335.359 3.824 20 0 EHADRM CCOc1ccc([C@H](Nc2cncc(C(=O)[O-])n2)c2ccccc2)cc1 ZINC001597074993 986604140 /nfs/dbraw/zinc/60/41/40/986604140.db2.gz XVCLZNBFSHSHGO-LJQANCHMSA-N -1 0 349.390 3.775 20 0 EHADRM CCOc1ccc(C[C@@H](C)C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC001597084348 986641619 /nfs/dbraw/zinc/64/16/19/986641619.db2.gz DYHKDNFLTNFCSD-CYBMUJFWSA-N -1 0 327.380 3.601 20 0 EHADRM CCOc1ccc(C[C@H](C)C(=O)Nc2ccsc2C(=O)[O-])cc1 ZINC001597085224 986649461 /nfs/dbraw/zinc/64/94/61/986649461.db2.gz RAODOXMCMCSSID-NSHDSACASA-N -1 0 333.409 3.662 20 0 EHADRM C[C@@H](C(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-])c1cccs1 ZINC001589430088 986713997 /nfs/dbraw/zinc/71/39/97/986713997.db2.gz QMWHALBFPCJSED-SSDOTTSWSA-N -1 0 327.764 3.981 20 0 EHADRM C[C@@H](C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1)c1cccc(O)c1 ZINC001589430868 986722174 /nfs/dbraw/zinc/72/21/74/986722174.db2.gz WYHZTJJSLWVYFR-MRVPVSSYSA-N -1 0 337.734 3.625 20 0 EHADRM C[C@H](C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)c1ccc2ccccc2c1 ZINC001589431048 986724147 /nfs/dbraw/zinc/72/41/47/986724147.db2.gz WETBLSQKSQRUMH-UTMQZLOVSA-N -1 0 337.419 3.559 20 0 EHADRM C[C@H](C(=O)Nc1ccc(CC(=O)[O-])c(F)c1)c1ccc(Cl)s1 ZINC001589436296 986752231 /nfs/dbraw/zinc/75/22/31/986752231.db2.gz SQOWISAFVKLTRH-QMMMGPOBSA-N -1 0 341.791 3.910 20 0 EHADRM C[C@@H](C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2)[C@H](C)C(C)(C)C ZINC001589448107 986819289 /nfs/dbraw/zinc/81/92/89/986819289.db2.gz ANKHIHGFDWUSTA-ZJUUUORDSA-N -1 0 339.457 3.776 20 0 EHADRM C[C@H]([C@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2)C(C)(C)C ZINC001589448106 986819305 /nfs/dbraw/zinc/81/93/05/986819305.db2.gz ANKHIHGFDWUSTA-VHSXEESVSA-N -1 0 339.457 3.776 20 0 EHADRM CCOc1ccc(NCc2cc(C(=O)[O-])c3n2CCCC3)c(C)c1 ZINC001597123006 986822969 /nfs/dbraw/zinc/82/29/69/986822969.db2.gz JNYAHUQAOCFNLZ-UHFFFAOYSA-N -1 0 328.412 3.842 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)Nc1ccc2ccccc2n1)c1ccccc1 ZINC001589458348 986902549 /nfs/dbraw/zinc/90/25/49/986902549.db2.gz LTYXXFZVSCRYCW-SCLBCKFNSA-N -1 0 349.390 3.818 20 0 EHADRM CCOc1cccc(C(=O)N(CC(=O)[O-])[C@@H](CC)c2ccccc2)c1 ZINC001597146007 986909303 /nfs/dbraw/zinc/90/93/03/986909303.db2.gz ROZZAMRKUOSXDI-SFHVURJKSA-N -1 0 341.407 3.763 20 0 EHADRM C[C@@H]1c2cccn2CCN1Cc1cc(Br)ccc1C(=O)[O-] ZINC001594671086 986981695 /nfs/dbraw/zinc/98/16/95/986981695.db2.gz IUWFGTPZKYMXRG-LLVKDONJSA-N -1 0 349.228 3.526 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)Cc1cc(Cl)cc2ccccc21)C1CCC1 ZINC001589477726 986987426 /nfs/dbraw/zinc/98/74/26/986987426.db2.gz SWNBJGQJCPVBCG-LBPRGKRZSA-N -1 0 345.826 3.890 20 0 EHADRM CC/C(=C\C(=O)N(CC)c1ncc(C(=O)[O-])s1)c1ccc(C)cc1 ZINC001594691776 987094531 /nfs/dbraw/zinc/09/45/31/987094531.db2.gz NMOIPLJEVGIQSR-JLHYYAGUSA-N -1 0 344.436 3.996 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)Nc2cccc(C(C)(C)O)c2)cc1 ZINC001589511428 987139553 /nfs/dbraw/zinc/13/95/53/987139553.db2.gz CIQUKOUBRQLZJB-GFCCVEGCSA-N -1 0 342.395 3.746 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2coc(-c3ccccc3)n2)c1 ZINC001589531078 987198871 /nfs/dbraw/zinc/19/88/71/987198871.db2.gz AJYKVMDWFLECDW-LBPRGKRZSA-N -1 0 336.347 3.782 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)Cc2ccc(OC(F)F)cc2)c1 ZINC001589532170 987211450 /nfs/dbraw/zinc/21/14/50/987211450.db2.gz BSVFHQIYFHSATI-LLVKDONJSA-N -1 0 349.333 3.657 20 0 EHADRM CC[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1)c1ccccc1 ZINC001594729023 987238501 /nfs/dbraw/zinc/23/85/01/987238501.db2.gz MJBAMSXDGMTWJJ-MSOLQXFVSA-N -1 0 325.408 3.739 20 0 EHADRM CC[C@H](C(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1)C1CCC(C)CC1 ZINC001594730607 987252181 /nfs/dbraw/zinc/25/21/81/987252181.db2.gz WQZKOJQVTINOHB-GAWYNMALSA-N -1 0 349.393 3.705 20 0 EHADRM CC[C@H](C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-])c1ccc(F)cc1 ZINC001594733903 987256348 /nfs/dbraw/zinc/25/63/48/987256348.db2.gz HQTWJFDPVHREAI-DOPJRALCSA-N -1 0 343.398 3.898 20 0 EHADRM C[C@H](C(=O)O[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)c1ccc(Cl)s1 ZINC001589544332 987264797 /nfs/dbraw/zinc/26/47/97/987264797.db2.gz ZBEOORKUNOTFJX-LXUNUROVSA-N -1 0 328.817 3.548 20 0 EHADRM CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001597258692 987272027 /nfs/dbraw/zinc/27/20/27/987272027.db2.gz RYTLFYXPRVDWBP-GJZGRUSLSA-N -1 0 336.457 3.879 20 0 EHADRM CC[C@H](C(=O)Nc1cc(C(=O)[O-])c(C)cc1C)c1c(C)noc1C ZINC001594735982 987273016 /nfs/dbraw/zinc/27/30/16/987273016.db2.gz TVNVVFPYOUMTQZ-ZDUSSCGKSA-N -1 0 330.384 3.739 20 0 EHADRM CCSCc1cc(C(=O)Nc2cccc(Cl)c2C(=O)[O-])no1 ZINC001597263559 987288542 /nfs/dbraw/zinc/28/85/42/987288542.db2.gz JKLRGEZTGBUHBL-UHFFFAOYSA-N -1 0 340.788 3.532 20 0 EHADRM CCSCc1cccc(NC(=O)N2CCC[C@](C)(C(=O)[O-])C2)c1 ZINC001597265263 987294748 /nfs/dbraw/zinc/29/47/48/987294748.db2.gz LHTMPYKYUJPMJL-KRWDZBQOSA-N -1 0 336.457 3.658 20 0 EHADRM CCSc1cc(C(=O)Nc2c(C)sc(C)c2C(=O)[O-])ccn1 ZINC001597267514 987303419 /nfs/dbraw/zinc/30/34/19/987303419.db2.gz IWBSEMLMNGWMDS-UHFFFAOYSA-N -1 0 336.438 3.822 20 0 EHADRM CC(C)(C(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1)C1CC1 ZINC001589562347 987318913 /nfs/dbraw/zinc/31/89/13/987318913.db2.gz AGONWGLLVKGHPQ-UHFFFAOYSA-N -1 0 329.440 3.602 20 0 EHADRM CCSc1ccc(CC(=O)NC2(C(=O)[O-])CCC(CC)CC2)cc1 ZINC001597272497 987321519 /nfs/dbraw/zinc/32/15/19/987321519.db2.gz IBRDEGMVWIIMBQ-UHFFFAOYSA-N -1 0 349.496 3.881 20 0 EHADRM CCSc1ccc(CNC(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC001597273164 987326938 /nfs/dbraw/zinc/32/69/38/987326938.db2.gz RZRXRCGRNUBLOP-UHFFFAOYSA-N -1 0 329.421 3.735 20 0 EHADRM CCSc1ccccc1CC(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC001597279543 987343434 /nfs/dbraw/zinc/34/34/34/987343434.db2.gz KLMSGQBOTXLCPZ-GOSISDBHSA-N -1 0 343.448 3.625 20 0 EHADRM CC(C)(C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1)C1CC1 ZINC001589576013 987353563 /nfs/dbraw/zinc/35/35/63/987353563.db2.gz FLGAVWXOOLFLJJ-UHFFFAOYSA-N -1 0 330.428 3.750 20 0 EHADRM CC[C@@H](OC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)c1ccc(Cl)c(Cl)c1 ZINC001597293066 987389385 /nfs/dbraw/zinc/38/93/85/987389385.db2.gz DPURIPOXRSSLIP-FRRDWIJNSA-N -1 0 347.194 3.620 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc(SC3CC3)cc2)C1 ZINC001589612184 987472172 /nfs/dbraw/zinc/47/21/72/987472172.db2.gz RYSFATCALXOAAB-CQSZACIVSA-N -1 0 347.480 3.904 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(OCCC(=O)[O-])cc1)c1ccccc1 ZINC001597336141 987473458 /nfs/dbraw/zinc/47/34/58/987473458.db2.gz KSGQTSMUBFLXOS-KRWDZBQOSA-N -1 0 342.395 3.813 20 0 EHADRM CC[C@H](NC(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccc(F)cc1 ZINC001597337060 987477325 /nfs/dbraw/zinc/47/73/25/987477325.db2.gz ZYEAURXALPYEAY-INIZCTEOSA-N -1 0 346.358 3.562 20 0 EHADRM CCc1[nH]c(C(=O)N([C@H](C)c2ccccc2)C2CC2)c(C)c1C(=O)[O-] ZINC001597354540 987497046 /nfs/dbraw/zinc/49/70/46/987497046.db2.gz IBLUWOVQMMUTSA-CYBMUJFWSA-N -1 0 340.423 3.950 20 0 EHADRM CCc1[nH]c(C(=O)N(c2ccccc2OC)C(C)C)c(C)c1C(=O)[O-] ZINC001597357553 987507275 /nfs/dbraw/zinc/50/72/75/987507275.db2.gz BAHLWOCOJVRQMD-UHFFFAOYSA-N -1 0 344.411 3.648 20 0 EHADRM CCc1[nH]c(C(=O)N2CCCCc3ccccc32)c(C)c1C(=O)[O-] ZINC001597360798 987515574 /nfs/dbraw/zinc/51/55/74/987515574.db2.gz FRZNTYQMSVQDEP-UHFFFAOYSA-N -1 0 326.396 3.567 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NCCC[C@H]2C=CCC2)cc1 ZINC001589637795 987557106 /nfs/dbraw/zinc/55/71/06/987557106.db2.gz MDOZVYBFVQVHFV-AWEZNQCLSA-N -1 0 330.428 3.917 20 0 EHADRM CCc1[nH]c(C(=O)O[C@@H](C)c2ccc(Cl)cn2)c(C)c1C(=O)[O-] ZINC001597380612 987577618 /nfs/dbraw/zinc/57/76/18/987577618.db2.gz STYVYEYHVLGGIZ-VIFPVBQESA-N -1 0 336.775 3.550 20 0 EHADRM CCc1[nH]c(C[N@@H+]2C[C@H](C)C[C@H]2c2ccccc2F)cc1C(=O)[O-] ZINC001597384260 987586567 /nfs/dbraw/zinc/58/65/67/987586567.db2.gz ISXBXHXUZYKUDZ-XIKOKIGWSA-N -1 0 330.403 3.998 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)[C@H]2Cc3ccc(Cl)cc32)c1 ZINC001589651327 987602069 /nfs/dbraw/zinc/60/20/69/987602069.db2.gz XUJGXFQFSWOVMZ-INIZCTEOSA-N -1 0 344.794 3.948 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)/C=C\COc2ccccc2)c1 ZINC001589651369 987603239 /nfs/dbraw/zinc/60/32/39/987603239.db2.gz ZFCGQHLDGCGAFF-GHXNOFRVSA-N -1 0 340.375 3.589 20 0 EHADRM CCc1c(NCc2ncc(C(=O)[O-])s2)cnn1-c1cccc(C)c1 ZINC001597419600 987724060 /nfs/dbraw/zinc/72/40/60/987724060.db2.gz FRIADWSBHAGFQL-UHFFFAOYSA-N -1 0 342.424 3.510 20 0 EHADRM CC(C)(C)C(=O)c1ccsc1NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001589699106 987784161 /nfs/dbraw/zinc/78/41/61/987784161.db2.gz JKRHVHIBEAPRLH-FNORWQNLSA-N -1 0 347.392 3.920 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)[C@@H]2C[C@@]2(F)c2ccccc2)s1 ZINC001597440357 987798400 /nfs/dbraw/zinc/79/84/00/987798400.db2.gz DEEBBNRIWSFAIH-SUMWQHHRSA-N -1 0 333.384 3.832 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)Nc1cc(-n2cccc2)ccc1F ZINC001589702337 987798479 /nfs/dbraw/zinc/79/84/79/987798479.db2.gz CNEKDGABANILEO-OAHLLOKOSA-N -1 0 347.390 3.627 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)CCc2ccc(F)cc2F)s1 ZINC001597440507 987799245 /nfs/dbraw/zinc/79/92/45/987799245.db2.gz FJHRGACVQUGFHO-UHFFFAOYSA-N -1 0 339.363 3.858 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2ccnn2C2CCCC2)s1 ZINC001597445602 987818152 /nfs/dbraw/zinc/81/81/52/987818152.db2.gz PUSDEYMPATUAPI-UHFFFAOYSA-N -1 0 333.413 3.573 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)C(C)(C)Oc1ccc(F)cc1 ZINC001597445696 987819292 /nfs/dbraw/zinc/81/92/92/987819292.db2.gz AWMBEELDCKJFEC-UHFFFAOYSA-N -1 0 345.370 3.882 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2ccc(F)c3ccncc23)s1 ZINC001597446036 987821419 /nfs/dbraw/zinc/82/14/19/987821419.db2.gz XCLJVGOGKHOFSC-UHFFFAOYSA-N -1 0 344.367 3.948 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@H]1c1cccn1C ZINC001597453914 987858352 /nfs/dbraw/zinc/85/83/52/987858352.db2.gz VUEMNIGPYYXBRS-KRWDZBQOSA-N -1 0 341.411 3.655 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@H](C)c1cnccc1C ZINC001597456670 987864157 /nfs/dbraw/zinc/86/41/57/987864157.db2.gz KSCBIFXHJDJUEL-GFCCVEGCSA-N -1 0 327.384 3.533 20 0 EHADRM CC(C)(C)[C@H](NC(=O)Nc1ccc(C(=O)[O-])nc1)c1cccc(F)c1 ZINC001589717301 987865555 /nfs/dbraw/zinc/86/55/55/987865555.db2.gz XSFCTXNWQGIRLP-OAHLLOKOSA-N -1 0 345.374 3.828 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@H]1C[C@]1(F)c1ccccc1 ZINC001597456911 987867696 /nfs/dbraw/zinc/86/76/96/987867696.db2.gz DTKWRPBLEPREGU-LPHOPBHVSA-N -1 0 342.370 3.706 20 0 EHADRM CC(C)(C)[C@@H]1CCN1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001589731571 987948294 /nfs/dbraw/zinc/94/82/94/987948294.db2.gz DHZPWFYZEKCKQG-AWEZNQCLSA-N -1 0 336.457 3.657 20 0 EHADRM CC(C)(C)[C@H]1CCN1C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001589732538 987963363 /nfs/dbraw/zinc/96/33/63/987963363.db2.gz SQOWMTJDOHPMIW-HUUCEWRRSA-N -1 0 332.444 3.669 20 0 EHADRM CCc1cc(NCC(=O)Nc2cc(C(=O)[O-])ccc2C)ccc1C ZINC001597483058 987983862 /nfs/dbraw/zinc/98/38/62/987983862.db2.gz FNASRKUQNFRLLM-UHFFFAOYSA-N -1 0 326.396 3.615 20 0 EHADRM CCc1cc(OCC(=O)Nc2ccc(C(=O)[O-])cc2)ccc1Cl ZINC001597487875 987995772 /nfs/dbraw/zinc/99/57/72/987995772.db2.gz RNYDMNWCGHDUDU-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM CCc1cc2c(ccn(Cc3cc(C(=O)[O-])oc3CC)c2=O)s1 ZINC001597489125 988006844 /nfs/dbraw/zinc/00/68/44/988006844.db2.gz ZLNJHFUJMVMWCD-UHFFFAOYSA-N -1 0 331.393 3.527 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001589743031 988020186 /nfs/dbraw/zinc/02/01/86/988020186.db2.gz AKKKDMWZZOTLBG-INIZCTEOSA-N -1 0 333.472 3.922 20 0 EHADRM CCc1ccc(-c2csc(NC(=O)c3c[nH]c(C(=O)[O-])c3)n2)cc1 ZINC001597492673 988030688 /nfs/dbraw/zinc/03/06/88/988030688.db2.gz SSFFIRVQXQNPFA-UHFFFAOYSA-N -1 0 341.392 3.651 20 0 EHADRM CCc1ccc(Br)c(NC(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC001597494482 988035756 /nfs/dbraw/zinc/03/57/56/988035756.db2.gz CKFRIRUCUUFMNU-UHFFFAOYSA-N -1 0 348.196 3.962 20 0 EHADRM CCc1ccc(C(C)(C)C(=O)Oc2ccc(CC(=O)[O-])cc2)cc1 ZINC001597508198 988084732 /nfs/dbraw/zinc/08/47/32/988084732.db2.gz GKAAMKSYQKHLTO-UHFFFAOYSA-N -1 0 326.392 3.759 20 0 EHADRM CCc1ccc([C@H](C)C(=O)Nc2cc(F)cc(C(=O)[O-])c2F)cc1 ZINC001597512397 988097900 /nfs/dbraw/zinc/09/79/00/988097900.db2.gz YFZXUKOCMBKXSE-JTQLQIEISA-N -1 0 333.334 3.968 20 0 EHADRM CCc1ccc([C@H](COC)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)o1 ZINC001597513447 988110463 /nfs/dbraw/zinc/11/04/63/988110463.db2.gz UXUHTXISBATUEO-HOCLYGCPSA-N -1 0 337.803 3.598 20 0 EHADRM CSCCCC(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001599797364 988119425 /nfs/dbraw/zinc/11/94/25/988119425.db2.gz HAIHWJRXHSEOPV-LBPRGKRZSA-N -1 0 337.224 3.806 20 0 EHADRM CCc1ccc(CC)c(NC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)c1 ZINC001597523107 988158546 /nfs/dbraw/zinc/15/85/46/988158546.db2.gz JCJKWYPYDPPOSV-KXBFYZLASA-N -1 0 330.428 3.530 20 0 EHADRM CC(C)(C)N(Cc1ccccc1)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC001589796083 988194105 /nfs/dbraw/zinc/19/41/05/988194105.db2.gz NBZREXCTLMIJLK-UHFFFAOYSA-N -1 0 325.408 3.755 20 0 EHADRM CCc1ccc(N(CC)C(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC001597532622 988194215 /nfs/dbraw/zinc/19/42/15/988194215.db2.gz KBSSSQMZXRNKMC-UHFFFAOYSA-N -1 0 325.408 3.933 20 0 EHADRM CSCc1cccnc1C(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC001599805263 988245635 /nfs/dbraw/zinc/24/56/35/988245635.db2.gz VMBXMHDYKSBFJU-UHFFFAOYSA-N -1 0 337.784 3.515 20 0 EHADRM CC(C)(C)N1CC[C@H](SCc2cc(C(=O)[O-])ccc2Cl)C1=O ZINC001589815481 988252157 /nfs/dbraw/zinc/25/21/57/988252157.db2.gz OFBPAZBJNXYOSN-ZDUSSCGKSA-N -1 0 341.860 3.671 20 0 EHADRM CCc1ccc(NC(=O)N2CCc3ccsc3C2)c(C(=O)[O-])c1 ZINC001597546680 988252416 /nfs/dbraw/zinc/25/24/16/988252416.db2.gz BEPUMRHZTHXMPV-UHFFFAOYSA-N -1 0 330.409 3.599 20 0 EHADRM CCc1ccc(NC(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)cc1F ZINC001597546804 988253431 /nfs/dbraw/zinc/25/34/31/988253431.db2.gz KYZFMFSRONUXTE-HNNXBMFYSA-N -1 0 348.349 3.517 20 0 EHADRM CCc1ccc(NC(=O)c2cc(Br)co2)c(C(=O)[O-])c1 ZINC001597546750 988253556 /nfs/dbraw/zinc/25/35/56/988253556.db2.gz KTYFVXHEDVWAEB-UHFFFAOYSA-N -1 0 338.157 3.555 20 0 EHADRM CCc1ccc(NCc2ccc(C(=O)[O-])cc2Br)nc1 ZINC001597551253 988273800 /nfs/dbraw/zinc/27/38/00/988273800.db2.gz DKJHBXDGQXZQNJ-UHFFFAOYSA-N -1 0 335.201 3.717 20 0 EHADRM CSc1cc(C(=O)N(Cc2ccccc2)[C@@H](C)C(=O)[O-])ccc1F ZINC001599807907 988285981 /nfs/dbraw/zinc/28/59/81/988285981.db2.gz SRHFYNRXEXFLLT-LBPRGKRZSA-N -1 0 347.411 3.663 20 0 EHADRM CSc1cc(C)c(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)o1 ZINC001599808550 988295558 /nfs/dbraw/zinc/29/55/58/988295558.db2.gz KMDRQAHIEBZEMS-UHFFFAOYSA-N -1 0 325.773 3.914 20 0 EHADRM CCc1ccc(OCC(=O)Nc2ccc(C(=O)[O-])cc2CC)cc1 ZINC001597557495 988297185 /nfs/dbraw/zinc/29/71/85/988297185.db2.gz JAIWAXRYFMAZQE-UHFFFAOYSA-N -1 0 327.380 3.527 20 0 EHADRM CCc1ccc2c(c1)CCN(C(=O)Nc1cc(C(=O)[O-])ccc1F)C2 ZINC001597568858 988329178 /nfs/dbraw/zinc/32/91/78/988329178.db2.gz KNOZFADVSIGGTK-UHFFFAOYSA-N -1 0 342.370 3.677 20 0 EHADRM CCc1ccc2occ(C(=O)N[C@H](CC(=O)[O-])C3CCCC3)c2c1 ZINC001597570511 988345401 /nfs/dbraw/zinc/34/54/01/988345401.db2.gz MGQQIPBURAZXRQ-MRXNPFEDSA-N -1 0 329.396 3.759 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)Cc1c[nH]c2cccc(C)c12 ZINC001597571355 988350622 /nfs/dbraw/zinc/35/06/22/988350622.db2.gz CQGWEQOOBMEICZ-UHFFFAOYSA-N -1 0 336.391 3.918 20 0 EHADRM CSc1ccc(C)c(C(=O)Nc2cc(C(=O)[O-])cnc2Cl)c1 ZINC001599812371 988359626 /nfs/dbraw/zinc/35/96/26/988359626.db2.gz VJQJNNCQBCOGRU-UHFFFAOYSA-N -1 0 336.800 3.716 20 0 EHADRM CSc1ccc(CNC(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC001599813439 988378216 /nfs/dbraw/zinc/37/82/16/988378216.db2.gz UTLJATMUDWLXNX-UHFFFAOYSA-N -1 0 334.372 3.568 20 0 EHADRM CSc1ccc(/C=C/C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)s1 ZINC001599813628 988381915 /nfs/dbraw/zinc/38/19/15/988381915.db2.gz YQAFUDQJTOCJOD-CFNZNRNTSA-N -1 0 345.445 3.698 20 0 EHADRM CCc1cccc(CC(=O)Oc2cc(/C=C/C(=O)[O-])ccc2OC)c1 ZINC001597585781 988398980 /nfs/dbraw/zinc/39/89/80/988398980.db2.gz WHPVVPGGPHFSBI-CSKARUKUSA-N -1 0 340.375 3.504 20 0 EHADRM CCc1cccc(CNC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC001597586483 988403078 /nfs/dbraw/zinc/40/30/78/988403078.db2.gz DMWFWUOLDKCDKN-UHFFFAOYSA-N -1 0 332.787 3.922 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cccc(C(F)(F)F)n1 ZINC001597590702 988414231 /nfs/dbraw/zinc/41/42/31/988414231.db2.gz DTLUPUNBQNWVGC-UHFFFAOYSA-N -1 0 338.285 3.613 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cc(Cl)c(Cl)n1C ZINC001597591768 988415373 /nfs/dbraw/zinc/41/53/73/988415373.db2.gz ICRHMLPRXKPMPD-UHFFFAOYSA-N -1 0 341.194 3.845 20 0 EHADRM CSc1ccc(NC(=O)COc2ccc(C)cc2C)cc1C(=O)[O-] ZINC001599815559 988416501 /nfs/dbraw/zinc/41/65/01/988416501.db2.gz MYTLNSJGDDQSCU-UHFFFAOYSA-N -1 0 345.420 3.741 20 0 EHADRM CSc1ccc([C@H](C)NC(=O)c2ccc(/C=C\C(=O)[O-])o2)cc1 ZINC001599820761 988509703 /nfs/dbraw/zinc/50/97/03/988509703.db2.gz ABOMYGZWBOBAPB-YAEJEKNGSA-N -1 0 331.393 3.590 20 0 EHADRM CSc1ccc([C@@H](C)NC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)cc1 ZINC001599821353 988519717 /nfs/dbraw/zinc/51/97/17/988519717.db2.gz XHWAZMOENUGJSR-SNVBAGLBSA-N -1 0 332.425 3.543 20 0 EHADRM CC(C)(C)OC(=O)CCc1cccc(NC2CC(CC(=O)[O-])C2)c1 ZINC001589878131 988545291 /nfs/dbraw/zinc/54/52/91/988545291.db2.gz MPMZWNJIRQOTED-UHFFFAOYSA-N -1 0 333.428 3.626 20 0 EHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001597621112 988545721 /nfs/dbraw/zinc/54/57/21/988545721.db2.gz DNEMYGJUPXVGLB-LSDHHAIUSA-N -1 0 327.355 3.829 20 0 EHADRM CCc1ccnc(-c2noc(-c3cc(C(=O)[O-])ccc3Cl)n2)c1 ZINC001597621835 988552917 /nfs/dbraw/zinc/55/29/17/988552917.db2.gz HTFJQPFUWQWYBO-UHFFFAOYSA-N -1 0 329.743 3.713 20 0 EHADRM CSc1cccc(F)c1CNC(=O)Nc1cc(C(=O)[O-])cs1 ZINC001599824420 988572813 /nfs/dbraw/zinc/57/28/13/988572813.db2.gz WLZJVXSWVAKPGU-UHFFFAOYSA-N -1 0 340.401 3.629 20 0 EHADRM CSc1ccccc1[C@H](C)NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001599826036 988599851 /nfs/dbraw/zinc/59/98/51/988599851.db2.gz FBVKMDIBZSKXKB-IEHMKBBKSA-N -1 0 331.393 3.590 20 0 EHADRM CSc1ncc(OCc2c3ccccc3sc2C(=O)[O-])cn1 ZINC001599830018 988658223 /nfs/dbraw/zinc/65/82/23/988658223.db2.gz VDLXZAQJKLEPLA-UHFFFAOYSA-N -1 0 332.406 3.690 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)Nc1cc(-c2ccccc2)ccc1Cl ZINC001599832712 988697989 /nfs/dbraw/zinc/69/79/89/988697989.db2.gz OCQBJHNVQADHAQ-NSHDSACASA-N -1 0 332.787 3.992 20 0 EHADRM CCc1nc(C(C)C)ccc1C(=O)Nc1ncc(C(=O)[O-])cc1Cl ZINC001597652881 988701349 /nfs/dbraw/zinc/70/13/49/988701349.db2.gz UWJCEZDBMKQKHK-UHFFFAOYSA-N -1 0 347.802 3.766 20 0 EHADRM CCc1nc(C)c(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)s1 ZINC001597658386 988724247 /nfs/dbraw/zinc/72/42/47/988724247.db2.gz YSAGTMVVRDLUDI-UHFFFAOYSA-N -1 0 342.779 3.757 20 0 EHADRM CCc1nc(CN[C@H](C(=O)[O-])c2cccc3ccccc32)cs1 ZINC001597669918 988762777 /nfs/dbraw/zinc/76/27/77/988762777.db2.gz MIZOEIGTVYLSHQ-KRWDZBQOSA-N -1 0 326.421 3.774 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1F)c1ccc2c(c1)CCCC2 ZINC001599840736 988823814 /nfs/dbraw/zinc/82/38/14/988823814.db2.gz QUZSPSRVRLHXCY-GFCCVEGCSA-N -1 0 341.382 3.894 20 0 EHADRM C[C@@H](NCc1nc(C(=O)[O-])cs1)c1cc(Cl)ccc1Cl ZINC001599842005 988856620 /nfs/dbraw/zinc/85/66/20/988856620.db2.gz XZQLCXQMRGBVSR-SSDOTTSWSA-N -1 0 331.224 3.999 20 0 EHADRM CCc1nc2ccccc2c(C(=O)NCc2cccc(C(=O)[O-])c2)c1C ZINC001597690797 988875447 /nfs/dbraw/zinc/87/54/47/988875447.db2.gz IVRDTTARWLITDG-UHFFFAOYSA-N -1 0 348.402 3.734 20 0 EHADRM C[C@@H]1C[C@H](C)CCN(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC001599848521 988974348 /nfs/dbraw/zinc/97/43/48/988974348.db2.gz PZHHCYPVSCNFLH-BFYDXBDKSA-N -1 0 346.471 3.916 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)C[C@H]1CC(=O)[O-] ZINC001599863626 989209344 /nfs/dbraw/zinc/20/93/44/989209344.db2.gz WSAZVVMWEMNTKF-PSASIEDQSA-N -1 0 349.736 3.542 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(Cl)c2O)c1 ZINC000179604394 1015468693 /nfs/dbraw/zinc/46/86/93/1015468693.db2.gz RKBZKUOKGAGPPU-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM CCc1oc(CNc2ccc(Cl)c(C(=O)[O-])c2)cc1C(=O)OC ZINC001597804875 989408396 /nfs/dbraw/zinc/40/83/96/989408396.db2.gz NAEKPBZTXGGASM-UHFFFAOYSA-N -1 0 337.759 3.592 20 0 EHADRM CCc1onc(-c2ccccc2Cl)c1C(=O)O[C@H](C)CC(=O)[O-] ZINC001597810904 989427970 /nfs/dbraw/zinc/42/79/70/989427970.db2.gz JRGIUBPBOCOXJF-SECBINFHSA-N -1 0 337.759 3.577 20 0 EHADRM CCn1c2ccccc2nc1S[C@H](C(=O)[O-])c1cccc(OC)c1 ZINC001597861587 989637277 /nfs/dbraw/zinc/63/72/77/989637277.db2.gz ARDBUFVUSSZXAR-INIZCTEOSA-N -1 0 342.420 3.983 20 0 EHADRM CCn1c(SC/C(C)=C\C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC001597865343 989654615 /nfs/dbraw/zinc/65/46/15/989654615.db2.gz WHWZDTQEHWFRLU-NTMALXAHSA-N -1 0 337.832 3.741 20 0 EHADRM CCn1c(SC/C(C)=C/C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC001597865342 989654894 /nfs/dbraw/zinc/65/48/94/989654894.db2.gz WHWZDTQEHWFRLU-CSKARUKUSA-N -1 0 337.832 3.741 20 0 EHADRM CCn1nc(C(C)C)cc1C(=O)Nc1c(C)cc(Cl)cc1C(=O)[O-] ZINC001597928186 989881977 /nfs/dbraw/zinc/88/19/77/989881977.db2.gz MNWNOQSRMMCAIK-UHFFFAOYSA-N -1 0 349.818 3.939 20 0 EHADRM CCn1nc(C(C)C)cc1C(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001597928443 989882976 /nfs/dbraw/zinc/88/29/76/989882976.db2.gz NFDNJDKIQUDVKE-UHFFFAOYSA-N -1 0 335.429 3.655 20 0 EHADRM CC(C)(C)O[C@H]1C[C@H](Nc2ccc3cnn(CC(=O)[O-])c3c2)C1(C)C ZINC001590379589 989890790 /nfs/dbraw/zinc/89/07/90/989890790.db2.gz VQVDOUVISYUFKR-HOTGVXAUSA-N -1 0 345.443 3.515 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])c1 ZINC001590416232 989954935 /nfs/dbraw/zinc/95/49/35/989954935.db2.gz IMCAHLQRDGRZNQ-KXBFYZLASA-N -1 0 333.428 3.627 20 0 EHADRM CC(C)(C)c1cc(NCc2cc(C(=O)[O-])co2)nc(C(C)(C)C)n1 ZINC001590461788 990031635 /nfs/dbraw/zinc/03/16/35/990031635.db2.gz KCMZPBPOXFUOFH-UHFFFAOYSA-N -1 0 331.416 3.975 20 0 EHADRM CC(C)(C)c1ccc(/C=C/C(=O)Nc2ncc(C(=O)[O-])s2)cc1 ZINC001590479461 990052809 /nfs/dbraw/zinc/05/28/09/990052809.db2.gz BLJTWHUYNOFBBL-RMKNXTFCSA-N -1 0 330.409 3.791 20 0 EHADRM CC(C)(C)c1ccc(C2(C(=O)Nc3cccc(C(=O)[O-])n3)CC2)cc1 ZINC001590479912 990058383 /nfs/dbraw/zinc/05/83/83/990058383.db2.gz MCSUGYQODSDCIY-UHFFFAOYSA-N -1 0 338.407 3.748 20 0 EHADRM CC(C)(C)c1ccc(Cc2noc(-c3ccc(C(=O)[O-])nc3)n2)cc1 ZINC001590487184 990085840 /nfs/dbraw/zinc/08/58/40/990085840.db2.gz GRSMYUVBBZUKGO-UHFFFAOYSA-N -1 0 337.379 3.718 20 0 EHADRM CC(C)(C)c1ccc(C[NH2+]Cc2cc(C(=O)[O-])c3n2CCCC3)o1 ZINC001590487986 990090599 /nfs/dbraw/zinc/09/05/99/990090599.db2.gz YTXXELSFUBQGJE-UHFFFAOYSA-N -1 0 330.428 3.703 20 0 EHADRM CC(C)(C)c1coc(SCc2nc3cc(C(=O)[O-])ccc3[nH]2)n1 ZINC001590526731 990138046 /nfs/dbraw/zinc/13/80/46/990138046.db2.gz JDSGRNBJJNFZPT-UHFFFAOYSA-N -1 0 331.397 3.839 20 0 EHADRM CC(C)(C)c1coc(CN[C@H](C(=O)[O-])c2c(F)cccc2Cl)n1 ZINC001590527068 990139534 /nfs/dbraw/zinc/13/95/34/990139534.db2.gz QAOKYRKPCKMCJK-AWEZNQCLSA-N -1 0 340.782 3.680 20 0 EHADRM CC(C)(C)c1csc(CNC(=O)Nc2ccc(C(=O)[O-])s2)n1 ZINC001590532056 990143460 /nfs/dbraw/zinc/14/34/60/990143460.db2.gz COXKMCNQUGBZFS-UHFFFAOYSA-N -1 0 339.442 3.522 20 0 EHADRM CN(C(=O)[C@H]1CCc2c1cccc2Cl)C1(C(=O)[O-])CCCCC1 ZINC001598003684 990144346 /nfs/dbraw/zinc/14/43/46/990144346.db2.gz RQDUEDIRIXIIHD-AWEZNQCLSA-N -1 0 335.831 3.616 20 0 EHADRM COc1ccc(/C=C(/C(=O)C(=O)[O-])c2ccc3ccccc3n2)cc1C ZINC000073692799 1015540141 /nfs/dbraw/zinc/54/01/41/1015540141.db2.gz VBZDDQQQYKPTNL-FOWTUZBSSA-N -1 0 347.370 3.746 20 0 EHADRM CC(C)(C)c1nc(C(=O)OCc2cc(C(=O)[O-])ccc2F)cs1 ZINC001590537577 990156655 /nfs/dbraw/zinc/15/66/55/990156655.db2.gz NWLLDAAHOSAAOU-UHFFFAOYSA-N -1 0 337.372 3.635 20 0 EHADRM CN(C(=O)CC1(CC(=O)[O-])CCCC1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC001598006814 990161924 /nfs/dbraw/zinc/16/19/24/990161924.db2.gz AXCFRBCAVBQZSF-OLZOCXBDSA-N -1 0 349.393 3.991 20 0 EHADRM CN(C(=O)C[C@H]1C=CCC1)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598008333 990170933 /nfs/dbraw/zinc/17/09/33/990170933.db2.gz VQDRBNVXXKFOSM-BONVTDFDSA-N -1 0 342.222 3.934 20 0 EHADRM CC(C)(C)c1nc(NC(=O)C[C@@H]2CCC(F)(F)C2)sc1C(=O)[O-] ZINC001590545669 990184476 /nfs/dbraw/zinc/18/44/76/990184476.db2.gz ZUZSLKXMTZGKFB-QMMMGPOBSA-N -1 0 346.399 3.903 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])ccc2o1 ZINC001590545901 990185551 /nfs/dbraw/zinc/18/55/51/990185551.db2.gz UWVRXCAMCMBHLQ-VXGBXAGGSA-N -1 0 345.399 3.500 20 0 EHADRM CC(C)(C)c1ncc(C(=O)OCc2csc(C(=O)[O-])c2)s1 ZINC001590550560 990189212 /nfs/dbraw/zinc/18/92/12/990189212.db2.gz IFGMKZHWGJQRBV-UHFFFAOYSA-N -1 0 325.411 3.557 20 0 EHADRM CC(C)(C)c1ncc(/C=C\C(=O)O[C@H](C(=O)[O-])c2ccccc2)s1 ZINC001590555885 990193850 /nfs/dbraw/zinc/19/38/50/990193850.db2.gz BXGNOQXCZLFMNF-KVPUOBJLSA-N -1 0 345.420 3.823 20 0 EHADRM CN(C(=O)CCc1ccccc1C(=O)[O-])c1ccc(F)c(Cl)c1 ZINC001598018110 990197918 /nfs/dbraw/zinc/19/79/18/990197918.db2.gz AWOHUBDYKXZRGM-UHFFFAOYSA-N -1 0 335.762 3.773 20 0 EHADRM CC(C)(CC(F)(F)F)Nc1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001590649041 990336347 /nfs/dbraw/zinc/33/63/47/990336347.db2.gz PQMDLHKMAKLIBZ-UHFFFAOYSA-N -1 0 330.228 3.942 20 0 EHADRM CC(C)(CC(F)(F)F)NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001590649269 990337615 /nfs/dbraw/zinc/33/76/15/990337615.db2.gz VMACDKFYIKBKNQ-UHFFFAOYSA-N -1 0 332.322 3.556 20 0 EHADRM CC(C)(C)c1ccc2[nH]c(C(=O)NC(C)(C)CCC(=O)[O-])cc2c1 ZINC001590663076 990360966 /nfs/dbraw/zinc/36/09/66/990360966.db2.gz SFHXSVBIXQOFHQ-UHFFFAOYSA-N -1 0 330.428 3.839 20 0 EHADRM O=[N+]([O-])c1ccc(C=Nn2c(-c3ccccc3F)n[n-]c2=S)cc1 ZINC000001845384 1015558702 /nfs/dbraw/zinc/55/87/02/1015558702.db2.gz ZESWMVIQUJQHEO-UHFFFAOYSA-N -1 0 343.343 3.537 20 0 EHADRM CC(C)(CCCc1ccccc1)CNC(=O)c1ccc(C(=O)[O-])o1 ZINC001590671205 990381272 /nfs/dbraw/zinc/38/12/72/990381272.db2.gz XFQAVTQTOYJZJX-UHFFFAOYSA-N -1 0 329.396 3.757 20 0 EHADRM CN(C(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccc2cc[nH]c2c1 ZINC001598079386 990393898 /nfs/dbraw/zinc/39/38/98/990393898.db2.gz OYJOCJGDSMWJRW-UHFFFAOYSA-N -1 0 328.755 3.796 20 0 EHADRM CN(C(=O)c1cccc(SC(F)(F)F)c1)C1(C(=O)[O-])CCCC1 ZINC001598090901 990433181 /nfs/dbraw/zinc/43/31/81/990433181.db2.gz AHYGSELPYLLXTJ-UHFFFAOYSA-N -1 0 347.358 3.768 20 0 EHADRM CC(C)(CNC(=O)CC1(CC(=O)[O-])CCCC1)c1ccc(F)cc1 ZINC001590708451 990460626 /nfs/dbraw/zinc/46/06/26/990460626.db2.gz ICFCIQRKDGBOQK-UHFFFAOYSA-N -1 0 335.419 3.645 20 0 EHADRM CC(C)(CNC(=O)NC(C)(C)CC1CCCCCC1)CC(=O)[O-] ZINC001590723842 990507251 /nfs/dbraw/zinc/50/72/51/990507251.db2.gz IHACKRFSLIPXPN-UHFFFAOYSA-N -1 0 326.481 3.926 20 0 EHADRM CC(C)(C)[C@@H]1CCC[C@H](NC(=O)NCC(C)(C)CC(=O)[O-])CC1 ZINC001590724380 990511691 /nfs/dbraw/zinc/51/16/91/990511691.db2.gz XSEYUVDTLSEAAD-KGLIPLIRSA-N -1 0 326.481 3.782 20 0 EHADRM CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)NCC(C)(C)CC(=O)[O-])CC1 ZINC001590724382 990511705 /nfs/dbraw/zinc/51/17/05/990511705.db2.gz XSEYUVDTLSEAAD-ZIAGYGMSSA-N -1 0 326.481 3.782 20 0 EHADRM CC(C)(CNC(=O)Nc1cccc(SCCC(=O)[O-])c1)C1CC1 ZINC001590738458 990533198 /nfs/dbraw/zinc/53/31/98/990533198.db2.gz RHKDELWGXKBURS-UHFFFAOYSA-N -1 0 336.457 3.811 20 0 EHADRM CC(C)(NC(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccc(F)cc1F ZINC001590856079 990745328 /nfs/dbraw/zinc/74/53/28/990745328.db2.gz ZYHYUFZPLVQMDT-UHFFFAOYSA-N -1 0 348.349 3.649 20 0 EHADRM CC(C)(c1nnc(-c2cccc(OCC(=O)[O-])c2)o1)c1ccccc1 ZINC001590908924 990878133 /nfs/dbraw/zinc/87/81/33/990878133.db2.gz OMVUCZGRPVLIJK-UHFFFAOYSA-N -1 0 338.363 3.526 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)N2CCCCC[C@H]2C(=O)[O-])c1 ZINC001590924221 990921329 /nfs/dbraw/zinc/92/13/29/990921329.db2.gz CVGQLPLWFDIXOK-KRWDZBQOSA-N -1 0 331.412 3.501 20 0 EHADRM COc1cccc(S[C@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)c1 ZINC001599683480 990949065 /nfs/dbraw/zinc/94/90/65/990949065.db2.gz ORAYTIJXNAIIKR-LLVKDONJSA-N -1 0 333.409 3.702 20 0 EHADRM COc1cccc2[nH]c(C(=O)Nc3ccc(Cl)c(C(=O)[O-])c3)cc21 ZINC001599687850 991016671 /nfs/dbraw/zinc/01/66/71/991016671.db2.gz AEMISLFAUOCQLA-UHFFFAOYSA-N -1 0 344.754 3.780 20 0 EHADRM COc1cccc2[nH]c(C(=O)Nc3ccc([C@@H](C)C(=O)[O-])cc3)cc21 ZINC001599687861 991016894 /nfs/dbraw/zinc/01/68/94/991016894.db2.gz AWNSUUFUALZILR-LLVKDONJSA-N -1 0 338.363 3.617 20 0 EHADRM CC(C)[C@H](C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O)c1cccnc1 ZINC001590957497 991041257 /nfs/dbraw/zinc/04/12/57/991041257.db2.gz USQVVLWHRMRKEB-AWEZNQCLSA-N -1 0 348.786 3.517 20 0 EHADRM CC(C)[C@H](C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-])c1ccc(F)cc1 ZINC001590957720 991042277 /nfs/dbraw/zinc/04/22/77/991042277.db2.gz QEJORLUFJUMQKO-AEFFLSMTSA-N -1 0 349.446 3.963 20 0 EHADRM COc1cccc2c1CC[C@H](Nc1ccc([C@@H]3C[C@H]3C(=O)[O-])cc1)C2 ZINC001599690525 991061693 /nfs/dbraw/zinc/06/16/93/991061693.db2.gz ZMYYQXLOSRESTK-YTQUADARSA-N -1 0 337.419 3.853 20 0 EHADRM COc1cccc2c1N(Cc1ccc(C3(C(=O)[O-])CC3)cc1)CCC2 ZINC001599691791 991081545 /nfs/dbraw/zinc/08/15/45/991081545.db2.gz YFNRLYUDWOAQJE-UHFFFAOYSA-N -1 0 337.419 3.764 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001590967795 991086106 /nfs/dbraw/zinc/08/61/06/991086106.db2.gz IBLVHVQNKUWWRP-ATOXUGOLSA-N -1 0 343.467 3.507 20 0 EHADRM COc1cccc2ncnc(Nc3ccc(C(C)(C)C(=O)[O-])cc3)c21 ZINC001599692122 991087058 /nfs/dbraw/zinc/08/70/58/991087058.db2.gz ASBXZAZNDCNRNA-UHFFFAOYSA-N -1 0 337.379 3.744 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)OCc1cc(C(=O)[O-])ccc1C ZINC001599696763 991159968 /nfs/dbraw/zinc/15/99/68/991159968.db2.gz AUJBKLPEHONVGH-UVTDQMKNSA-N -1 0 340.375 3.849 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001599697164 991165533 /nfs/dbraw/zinc/16/55/33/991165533.db2.gz HIDVSKUWPVMPSP-KHPPLWFESA-N -1 0 343.354 3.883 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1CCCc2ccccc21 ZINC001598292900 991206548 /nfs/dbraw/zinc/20/65/48/991206548.db2.gz JPOVINMPDRPEMH-MRXNPFEDSA-N -1 0 338.407 3.509 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)C(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001590993213 991211385 /nfs/dbraw/zinc/21/13/85/991211385.db2.gz HOAYQQFEKYRIGF-SFHVURJKSA-N -1 0 337.419 3.789 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)/C=C\c1ccc2[nH]ccc2c1 ZINC001598293810 991212023 /nfs/dbraw/zinc/21/20/23/991212023.db2.gz QLAKXRSHFSDQKV-YWEYNIOJSA-N -1 0 349.390 3.584 20 0 EHADRM COc1ccccc1[C@H]1CC[C@H](C)CN1Cc1nc(C(=O)[O-])cs1 ZINC001599704290 991270017 /nfs/dbraw/zinc/27/00/17/991270017.db2.gz PHHXXUDQKWTRPF-SWLSCSKDSA-N -1 0 346.452 3.823 20 0 EHADRM CC(C)[C@@H](NC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)[O-] ZINC001591018817 991298364 /nfs/dbraw/zinc/29/83/64/991298364.db2.gz IXVOIOLOHFIILX-OAHLLOKOSA-N -1 0 349.471 3.826 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)Nc1scc(C(=O)[O-])c1C ZINC001599708072 991324083 /nfs/dbraw/zinc/32/40/83/991324083.db2.gz DUTRTFGIDCKLDQ-LLVKDONJSA-N -1 0 347.436 3.971 20 0 EHADRM CN(C)c1ccc2cc(NC(=O)c3cccc(C(=O)[O-])c3)ccc2c1 ZINC001598335198 991385565 /nfs/dbraw/zinc/38/55/65/991385565.db2.gz CPKNMKPKTSXKOS-UHFFFAOYSA-N -1 0 334.375 3.856 20 0 EHADRM CC(C)[C@@H](SCc1ccccc1)C(=O)NCC(C)(C)CC(=O)[O-] ZINC001591051423 991450086 /nfs/dbraw/zinc/45/00/86/991450086.db2.gz BUMRLNVGWKJFOO-MRXNPFEDSA-N -1 0 337.485 3.562 20 0 EHADRM CC(C)[C@@H]1C[C@H](CC(=O)Nc2cccc(C(=O)[O-])c2Cl)CCO1 ZINC001591073363 991541425 /nfs/dbraw/zinc/54/14/25/991541425.db2.gz WURFPTIHSLKAIU-RISCZKNCSA-N -1 0 339.819 3.818 20 0 EHADRM CC(C)[C@H]1CCC[C@@H](NC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)CC1 ZINC001591081857 991594635 /nfs/dbraw/zinc/59/46/35/991594635.db2.gz LYADCKGYIHRJFK-MKSNKDDYSA-N -1 0 336.476 3.630 20 0 EHADRM CC(C)[C@@H]1CCCCN1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001591087852 991613959 /nfs/dbraw/zinc/61/39/59/991613959.db2.gz BJOYEEJDGOLGQF-INIZCTEOSA-N -1 0 334.416 3.583 20 0 EHADRM CC(C)[C@H]1CCCCCN1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001591089288 991631212 /nfs/dbraw/zinc/63/12/12/991631212.db2.gz UOFULGGGLBHTHV-QGZVFWFLSA-N -1 0 332.444 3.538 20 0 EHADRM CC(C)[C@@H]1CCC[C@@](NC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)(C(F)(F)F)CC1 ZINC001591089290 991631417 /nfs/dbraw/zinc/63/14/17/991631417.db2.gz UORSYSATMPPOSC-FOCJUVANSA-N -1 0 349.393 3.751 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2N(C)C)[C@@H]1C(C)C ZINC001591093669 991661893 /nfs/dbraw/zinc/66/18/93/991661893.db2.gz YEUGHSJGSOWUSC-WMLDXEAASA-N -1 0 347.459 3.595 20 0 EHADRM CC(C)[C@@H]1CN(Cc2ccc(OCC(=O)[O-])cc2)c2ccccc21 ZINC001591096850 991695284 /nfs/dbraw/zinc/69/52/84/991695284.db2.gz VTIIUUPJANHQJX-SFHVURJKSA-N -1 0 325.408 3.910 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)/C=C\c2cccc(F)c2)cc1)C(=O)[O-] ZINC000588593109 1032121999 /nfs/dbraw/zinc/12/19/99/1032121999.db2.gz QDELBNDDQKXRDE-PGJNLMOESA-N -1 0 327.355 3.741 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N1CC2(CC2)c2ccc(Br)cc21 ZINC001591121429 991794711 /nfs/dbraw/zinc/79/47/11/991794711.db2.gz VWPLAMMKHQAPQK-AWEZNQCLSA-N -1 0 338.245 3.800 20 0 EHADRM CC(C)C[C@H](C)CC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001591134226 991836569 /nfs/dbraw/zinc/83/65/69/991836569.db2.gz QPMIZMIQIOJYDH-ZDUSSCGKSA-N -1 0 331.412 3.862 20 0 EHADRM COc1nsc(CNc2ccc3nc(C)cc(C)c3c2)c1C(=O)[O-] ZINC001599741708 991867871 /nfs/dbraw/zinc/86/78/71/991867871.db2.gz MYPHPNDDGLXMFJ-UHFFFAOYSA-N -1 0 343.408 3.627 20 0 EHADRM CC(C)C[C@H](CNc1ncnc2sc3c(c21)CC[C@H](C)C3)C(=O)[O-] ZINC001591162930 991927425 /nfs/dbraw/zinc/92/74/25/991927425.db2.gz PXXFEJSRPBWTGF-NWDGAFQWSA-N -1 0 347.484 3.975 20 0 EHADRM CC(C)C[C@H](CNc1nc(C(F)F)nc2ccc(F)cc21)C(=O)[O-] ZINC001591163097 991929374 /nfs/dbraw/zinc/92/93/74/991929374.db2.gz YTBAYELUTKXGMK-SECBINFHSA-N -1 0 341.333 3.865 20 0 EHADRM CC(C)C[C@@H](NC(=O)CSCc1ccc(C(C)C)cc1)C(=O)[O-] ZINC001591173202 991962730 /nfs/dbraw/zinc/96/27/30/991962730.db2.gz DIYLMIMKXCFTCJ-MRXNPFEDSA-N -1 0 337.485 3.659 20 0 EHADRM CC(C)C[C@H](Sc1nnc(-c2ccco2)n1CC(C)C)C(=O)[O-] ZINC001591190913 991997478 /nfs/dbraw/zinc/99/74/78/991997478.db2.gz FKINPYCINPEYKN-ZDUSSCGKSA-N -1 0 337.445 3.786 20 0 EHADRM CC(C)CC1(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)[O-])CCCC1 ZINC001591192988 992009245 /nfs/dbraw/zinc/00/92/45/992009245.db2.gz UDSDMNYDMHEOQP-MRXNPFEDSA-N -1 0 335.419 3.544 20 0 EHADRM CC(C)CC[C@H]1CCC[C@H]1NC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001591220756 992081934 /nfs/dbraw/zinc/08/19/34/992081934.db2.gz CAQLOSWXTQAJRM-TZMCWYRMSA-N -1 0 338.473 3.850 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)c2c[nH]c(C(=O)[O-])c2)c(F)c1 ZINC001591259786 992164202 /nfs/dbraw/zinc/16/42/02/992164202.db2.gz FEFQHSKTQBFHMV-UHFFFAOYSA-N -1 0 334.347 3.529 20 0 EHADRM CC(C)CCOc1ccc(C(=O)NC2(CC(=O)[O-])CCCC2)cc1 ZINC001591260234 992166363 /nfs/dbraw/zinc/16/63/63/992166363.db2.gz IMMOVVLKIDHECZ-UHFFFAOYSA-N -1 0 333.428 3.629 20 0 EHADRM CC(C)CCn1c2ccccc2nc1NCc1cc(C(=O)[O-])n(C)c1 ZINC001591274166 992193103 /nfs/dbraw/zinc/19/31/03/992193103.db2.gz GUOZFCMVCSCDGY-UHFFFAOYSA-N -1 0 340.427 3.731 20 0 EHADRM CC(C)CN(C(=O)C[C@H]1CCc2ccccc2C1)C(C)(C)C(=O)[O-] ZINC001591279963 992204992 /nfs/dbraw/zinc/20/49/92/992204992.db2.gz CPFUZHOWRCNQJK-HNNXBMFYSA-N -1 0 331.456 3.529 20 0 EHADRM CC(C)CN(C(=O)[C@@H](C)CCc1cccc(F)c1)C(C)(C)C(=O)[O-] ZINC001591280367 992208266 /nfs/dbraw/zinc/20/82/66/992208266.db2.gz GZZZHTCWEUMMHS-AWEZNQCLSA-N -1 0 337.435 3.742 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CCc1ccc(Cl)cc1 ZINC001591309236 992265635 /nfs/dbraw/zinc/26/56/35/992265635.db2.gz QGPCMYNYKYQJPA-UHFFFAOYSA-N -1 0 339.863 3.868 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1c[nH]c2cccc(F)c21 ZINC001591312916 992273145 /nfs/dbraw/zinc/27/31/45/992273145.db2.gz BHDDOVBLKVJJRW-UHFFFAOYSA-N -1 0 334.391 3.516 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])c1nc(-c2ccccc2)ns1 ZINC001591313619 992277627 /nfs/dbraw/zinc/27/76/27/992277627.db2.gz DBZMJUOQWWGISQ-UHFFFAOYSA-N -1 0 333.457 3.778 20 0 EHADRM CS[C@@H](C(=O)N[C@H](CC(=O)[O-])c1cccc(C)c1)c1ccccc1 ZINC001599781223 992366834 /nfs/dbraw/zinc/36/68/34/992366834.db2.gz NQRVRILHVQMFTH-SJLPKXTDSA-N -1 0 343.448 3.731 20 0 EHADRM CN(CCOc1ccccc1C(C)(C)C)[C@@H](C(=O)[O-])c1cccnc1 ZINC001598499600 992415159 /nfs/dbraw/zinc/41/51/59/992415159.db2.gz HWWPWUKPHUCYQI-GOSISDBHSA-N -1 0 342.439 3.516 20 0 EHADRM CN(Cc1c[nH]c(C(=O)[O-])c1)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001598505759 992500373 /nfs/dbraw/zinc/50/03/73/992500373.db2.gz TXLJUUWJUXTVRV-UHFFFAOYSA-N -1 0 345.399 3.696 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)C[C@H](C)c1c[nH]c2ccccc21 ZINC001591423628 992512212 /nfs/dbraw/zinc/51/22/12/992512212.db2.gz MVIXIMYXRNLHMM-GUYCJALGSA-N -1 0 330.428 3.619 20 0 EHADRM CN(Cc1cc(Cl)sc1Cl)[C@H](COC1CCC1)C(=O)[O-] ZINC001598507341 992523086 /nfs/dbraw/zinc/52/30/86/992523086.db2.gz NLQONDCJCBEXTA-SNVBAGLBSA-N -1 0 338.256 3.509 20 0 EHADRM CN(Cc1ccc(-c2ccccc2C(=O)[O-])o1)Cc1ccns1 ZINC001598508970 992542987 /nfs/dbraw/zinc/54/29/87/992542987.db2.gz PJFWGSJFEKJREB-UHFFFAOYSA-N -1 0 328.393 3.733 20 0 EHADRM CC(C)C[C@H](NC(=O)CCCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001591453328 992559892 /nfs/dbraw/zinc/55/98/92/992559892.db2.gz HLTQVERZPMWZIR-AWEZNQCLSA-N -1 0 346.254 3.932 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)Nc1nc(C2CCC2)cs1 ZINC001598512175 992575915 /nfs/dbraw/zinc/57/59/15/992575915.db2.gz ABQJQWGEDVLVRU-UHFFFAOYSA-N -1 0 345.424 3.773 20 0 EHADRM CC(C)C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1Cl)C(=O)[O-] ZINC001591468639 992582320 /nfs/dbraw/zinc/58/23/20/992582320.db2.gz OCUMDKUINKRSKR-NSHDSACASA-N -1 0 337.725 3.588 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)c1nc(Cl)nc2ccccc21 ZINC001598513759 992594339 /nfs/dbraw/zinc/59/43/39/992594339.db2.gz XLIKRYKPTFSWBF-UHFFFAOYSA-N -1 0 327.771 3.618 20 0 EHADRM CC(C)Cc1ccc(CC(=O)N2CCc3ccc(C(=O)[O-])cc32)cc1 ZINC001591485029 992614247 /nfs/dbraw/zinc/61/42/47/992614247.db2.gz YDSIWKPMNSHYCI-UHFFFAOYSA-N -1 0 337.419 3.715 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)N[C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC001591488212 992614995 /nfs/dbraw/zinc/61/49/95/992614995.db2.gz BINXQTZGLAIBLT-SUMWQHHRSA-N -1 0 345.464 3.992 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)N[C@@](C)(CC(=O)[O-])C2CC2)c1 ZINC001591489367 992619565 /nfs/dbraw/zinc/61/95/65/992619565.db2.gz QPIRCZZQKQLGII-XOBRGWDASA-N -1 0 331.456 3.748 20 0 EHADRM CN(Cc1ccc(F)c(F)c1)c1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001598518639 992650624 /nfs/dbraw/zinc/65/06/24/992650624.db2.gz QFOSKFGUQNPLQM-UHFFFAOYSA-N -1 0 346.255 3.713 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)N[C@@H]3CCC[C@@H]3C(=O)[O-])ccc21 ZINC001591521697 992692138 /nfs/dbraw/zinc/69/21/38/992692138.db2.gz PUDRZVSOSGBHOS-JKSUJKDBSA-N -1 0 343.427 3.672 20 0 EHADRM CC(C)Cn1ccc2c1cccc2C(=O)N[C@H](CC(C)(C)C)C(=O)[O-] ZINC001591521818 992693916 /nfs/dbraw/zinc/69/39/16/992693916.db2.gz VPYXPTSHHQXJAR-MRXNPFEDSA-N -1 0 344.455 3.917 20 0 EHADRM CN(Cc1cccc(F)n1)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598525983 992721152 /nfs/dbraw/zinc/72/11/52/992721152.db2.gz AYKPYRLCTKRTEA-CQSZACIVSA-N -1 0 343.185 3.785 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1cc(C(F)(F)F)ccc1Cl ZINC001591582154 992791538 /nfs/dbraw/zinc/79/15/38/992791538.db2.gz PANWWJWXYGAMNW-UHFFFAOYSA-N -1 0 337.725 3.684 20 0 EHADRM CN(Cc1nc2ccccc2s1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001598537797 992861466 /nfs/dbraw/zinc/86/14/66/992861466.db2.gz OEDHAZLDPPDUEY-UHFFFAOYSA-N -1 0 341.392 3.658 20 0 EHADRM COc1ccc(N(CCC(C)C)C(=O)c2oc(C(=O)[O-])cc2C)cc1 ZINC001599583956 993587324 /nfs/dbraw/zinc/58/73/24/993587324.db2.gz DLFATSGQARUGIA-UHFFFAOYSA-N -1 0 345.395 3.988 20 0 EHADRM COc1ccc(N(CC(C)C)C(=O)c2cc(F)cc(C(=O)[O-])c2)cc1 ZINC001599584163 993590225 /nfs/dbraw/zinc/59/02/25/993590225.db2.gz ISWCKFVVEAFJLX-UHFFFAOYSA-N -1 0 345.370 3.835 20 0 EHADRM COc1ccc(NC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c(OC)c1 ZINC001599593375 993717050 /nfs/dbraw/zinc/71/70/50/993717050.db2.gz NIICVARLWFYBRS-NSHDSACASA-N -1 0 344.367 3.536 20 0 EHADRM COc1ccc(NC(=O)c2coc3c2cccc3C)c(C(=O)[O-])c1 ZINC001599595579 993745473 /nfs/dbraw/zinc/74/54/73/993745473.db2.gz DFUUZSSTIMNMIZ-UHFFFAOYSA-N -1 0 325.320 3.700 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1cc2cnccc2o1 ZINC001593114868 993795564 /nfs/dbraw/zinc/79/55/64/993795564.db2.gz FACTUEGCEWETHZ-VIFPVBQESA-N -1 0 343.314 3.548 20 0 EHADRM COc1ccc(OC(C)C)c(N[C@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC001599600554 993809542 /nfs/dbraw/zinc/80/95/42/993809542.db2.gz KFEXQQMJYIWNGQ-SNVBAGLBSA-N -1 0 336.413 3.810 20 0 EHADRM C[C@@H](NC(=O)c1ccc(-c2cccs2)o1)c1ncc(C(=O)[O-])s1 ZINC001593156001 993972380 /nfs/dbraw/zinc/97/23/80/993972380.db2.gz HMMKYXFFWRAYBG-MRVPVSSYSA-N -1 0 348.405 3.654 20 0 EHADRM CN1CCc2cc(C(=O)Nc3ccc(C(=O)[O-])c4ccccc34)ccc21 ZINC001598627451 994121271 /nfs/dbraw/zinc/12/12/71/994121271.db2.gz ODYWOIDRBAKTGO-UHFFFAOYSA-N -1 0 346.386 3.783 20 0 EHADRM CC(C)n1cc([C@H](C)N[C@@H](C(=O)[O-])c2c(F)cccc2Cl)cn1 ZINC001593190948 994129620 /nfs/dbraw/zinc/12/96/20/994129620.db2.gz ZGPCALJZOOFVBX-ZUZCIYMTSA-N -1 0 339.798 3.733 20 0 EHADRM C[C@H](N[C@@H](C)c1cnc2ccsc2c1)c1ncc(C(=O)[O-])s1 ZINC001593203020 994184665 /nfs/dbraw/zinc/18/46/65/994184665.db2.gz BYUUZWPDTQXDFK-IUCAKERBSA-N -1 0 333.438 3.863 20 0 EHADRM COc1ccc2c(c1)[C@@H](NC(=O)Nc1ccc(C(=O)[O-])s1)CCC2 ZINC001599631368 994223648 /nfs/dbraw/zinc/22/36/48/994223648.db2.gz HIUDZMMZABWTTB-ZDUSSCGKSA-N -1 0 346.408 3.654 20 0 EHADRM C[C@H](N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cc(C(=O)[O-])co1 ZINC001593208581 994228189 /nfs/dbraw/zinc/22/81/89/994228189.db2.gz IVHISWZNUKTMBB-CXMBCZLWSA-N -1 0 333.359 3.688 20 0 EHADRM COc1ccc2[nH]c(SCc3ccc(C)c(C(=O)[O-])c3)nc2c1 ZINC001599635089 994275111 /nfs/dbraw/zinc/27/51/11/994275111.db2.gz OLLJNKMCEAUEFO-UHFFFAOYSA-N -1 0 328.393 3.870 20 0 EHADRM C[C@@H](N[C@H]1CCCc2c(Cl)ccnc21)c1ncc(C(=O)[O-])s1 ZINC001593218746 994290734 /nfs/dbraw/zinc/29/07/34/994290734.db2.gz KEKXKLHSXWESSZ-KCJUWKMLSA-N -1 0 337.832 3.618 20 0 EHADRM COc1ccc2oc([C@@H](C)N[C@H](C)c3nc(C(=O)[O-])co3)c(C)c2c1 ZINC001599637874 994315085 /nfs/dbraw/zinc/31/50/85/994315085.db2.gz LPANNIQPRLFFNH-GHMZBOCLSA-N -1 0 344.367 3.848 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)c1cccc(Cl)c1C ZINC001599643815 994395115 /nfs/dbraw/zinc/39/51/15/994395115.db2.gz PCPFEAKVXVVWAM-UHFFFAOYSA-N -1 0 333.771 3.632 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)CCCCCCSC ZINC001599645013 994412471 /nfs/dbraw/zinc/41/24/71/994412471.db2.gz WJLCPNCUPXIQHZ-UHFFFAOYSA-N -1 0 326.414 3.612 20 0 EHADRM COc1cccc([C@@H](Sc2nnc(-c3cccs3)o2)C(=O)[O-])c1 ZINC001599662393 994676402 /nfs/dbraw/zinc/67/64/02/994676402.db2.gz ZNWQVVMUJOVYOT-GFCCVEGCSA-N -1 0 348.405 3.725 20 0 EHADRM COc1cccc(CC(=O)Nc2cccc(CCC(=O)[O-])c2)c1Cl ZINC001599664430 994706352 /nfs/dbraw/zinc/70/63/52/994706352.db2.gz GVDGWCUCJGTYEQ-UHFFFAOYSA-N -1 0 347.798 3.547 20 0 EHADRM C[C@@H](NCc1ccccc1CC(=O)[O-])c1nc(C(C)(C)C)cs1 ZINC001593303171 994732060 /nfs/dbraw/zinc/73/20/60/994732060.db2.gz DLONUSYXXSOBBY-GFCCVEGCSA-N -1 0 332.469 3.919 20 0 EHADRM COc1cccc(C[C@@H](C)CC(=O)Nc2ccsc2C(=O)[O-])c1 ZINC001599666937 994745925 /nfs/dbraw/zinc/74/59/25/994745925.db2.gz VGDWETACMYUTCW-LLVKDONJSA-N -1 0 333.409 3.662 20 0 EHADRM C[C@@H](NCc1cccc(C(=O)[O-])c1Cl)c1nc(C(C)(C)C)no1 ZINC001593304557 994749631 /nfs/dbraw/zinc/74/96/31/994749631.db2.gz OJBKLSXMAWFKBL-SECBINFHSA-N -1 0 337.807 3.570 20 0 EHADRM COc1cccc([C@@H]2C[C@@H]2C(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001599667225 994749859 /nfs/dbraw/zinc/74/98/59/994749859.db2.gz YKUSAQXEXRFHHP-GJZGRUSLSA-N -1 0 346.766 3.756 20 0 EHADRM C[C@@H](NCc1nc(C(C)(C)C)cs1)c1ccc(OCC(=O)[O-])cc1 ZINC001593311371 994780801 /nfs/dbraw/zinc/78/08/01/994780801.db2.gz FZVHGQBIAVUWNU-GFCCVEGCSA-N -1 0 348.468 3.755 20 0 EHADRM C[C@H](NCc1oncc1C(=O)[O-])c1cccc(SC(F)(F)F)c1 ZINC001593318313 994831233 /nfs/dbraw/zinc/83/12/33/994831233.db2.gz FIJPVLMQZKKJBE-QMMMGPOBSA-N -1 0 346.330 3.836 20 0 EHADRM CC(C)[C@@H](CNC(=O)N(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000275072891 1015900151 /nfs/dbraw/zinc/90/01/51/1015900151.db2.gz WZCJQAKDZINNAA-QGZVFWFLSA-N -1 0 326.396 3.891 20 0 EHADRM CO/C(=C\c1ccccc1)C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001598685688 995000595 /nfs/dbraw/zinc/00/05/95/995000595.db2.gz YVPZWMXGOXBOOP-AUWJEWJLSA-N -1 0 349.745 3.803 20 0 EHADRM C[C@H](Nc1cc(C(=O)[O-])ncn1)[C@@H](C)c1ccccc1C(F)(F)F ZINC001593359468 995017818 /nfs/dbraw/zinc/01/78/18/995017818.db2.gz FXRLTQHEEDBWJX-ZJUUUORDSA-N -1 0 339.317 3.798 20 0 EHADRM COC(=O)[C@@H](C)CS[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001598689276 995038185 /nfs/dbraw/zinc/03/81/85/995038185.db2.gz WWKVCOPSHFJZDB-CPCISQLKSA-N -1 0 337.224 3.661 20 0 EHADRM COC(=O)[C@H](C)CS[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001598689277 995039034 /nfs/dbraw/zinc/03/90/34/995039034.db2.gz WWKVCOPSHFJZDB-HQJQHLMTSA-N -1 0 337.224 3.661 20 0 EHADRM C[C@H](Nc1cccc([C@H]2CCC(=O)N2)c1)c1cc(C(=O)[O-])cs1 ZINC001593366094 995047530 /nfs/dbraw/zinc/04/75/30/995047530.db2.gz RCAHDAPMVKCBNA-IINYFYTJSA-N -1 0 330.409 3.571 20 0 EHADRM C[C@H](c1ccccc1C(F)(F)F)[C@H](C)Nc1cnc(C(=O)[O-])cn1 ZINC001593368407 995063557 /nfs/dbraw/zinc/06/35/57/995063557.db2.gz XTVNMPLKUUCGJA-UWVGGRQHSA-N -1 0 339.317 3.798 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000327022907 1015934046 /nfs/dbraw/zinc/93/40/46/1015934046.db2.gz JEZIWACJSSIFGG-QGZVFWFLSA-N -1 0 346.471 3.540 20 0 EHADRM COC(=O)[C@H](N[C@H](C)C1CCCCCC1)c1cccc(C(=O)[O-])c1 ZINC001598712858 995369029 /nfs/dbraw/zinc/36/90/29/995369029.db2.gz KERYGXVBWAQURV-CXAGYDPISA-N -1 0 333.428 3.547 20 0 EHADRM COC(=O)[C@H](Sc1cc(F)ccc1F)c1cccc(C(=O)[O-])c1 ZINC001598714009 995382867 /nfs/dbraw/zinc/38/28/67/995382867.db2.gz ZLSUUQGKBWSSFY-CQSZACIVSA-N -1 0 338.331 3.669 20 0 EHADRM COC(=O)[C@@H](Nc1ccc2ccccc2c1)c1cccc(C(=O)[O-])c1 ZINC001598714402 995387975 /nfs/dbraw/zinc/38/79/75/995387975.db2.gz SILLALZWGWBRTF-SFHVURJKSA-N -1 0 335.359 3.864 20 0 EHADRM C[C@@H](OC(=O)C1CCC(C(F)(F)F)CC1)c1ccc(C(=O)[O-])o1 ZINC001593500134 995497117 /nfs/dbraw/zinc/49/71/17/995497117.db2.gz FAUHVAWSKHBGKY-XNWIYYODSA-N -1 0 334.290 3.951 20 0 EHADRM C[C@H](OC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)c1cc(C(=O)[O-])co1 ZINC001593502030 995507062 /nfs/dbraw/zinc/50/70/62/995507062.db2.gz UWPLYZOAPRHFNJ-LSJOCFKGSA-N -1 0 336.290 3.664 20 0 EHADRM C[C@H](OC(=O)CCCc1ccc(F)c(F)c1)c1cc(C(=O)[O-])co1 ZINC001593526010 995565034 /nfs/dbraw/zinc/56/50/34/995565034.db2.gz QASXTFNDOUIALW-JTQLQIEISA-N -1 0 338.306 3.883 20 0 EHADRM C[C@H](OC(=O)c1cc(C2CCCCC2)[nH]n1)c1cc(C(=O)[O-])co1 ZINC001593556499 995643823 /nfs/dbraw/zinc/64/38/23/995643823.db2.gz NAXMLEUEOYDOKT-JTQLQIEISA-N -1 0 332.356 3.667 20 0 EHADRM CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC001593575024 995680375 /nfs/dbraw/zinc/68/03/75/995680375.db2.gz NNHPBIZISSDXKQ-LLVKDONJSA-N -1 0 330.336 3.529 20 0 EHADRM C[C@H](OC(=O)c1ccc(Cl)nc1Cl)c1cc(C(=O)[O-])co1 ZINC001593578732 995688914 /nfs/dbraw/zinc/68/89/14/995688914.db2.gz IRNRHALFASXWFL-LURJTMIESA-N -1 0 330.123 3.598 20 0 EHADRM C[C@@H](OC1CCCCC1)C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001593603113 995767942 /nfs/dbraw/zinc/76/79/42/995767942.db2.gz PWBSKEQUNFFBLO-ABAIWWIYSA-N -1 0 340.803 3.747 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)[C@H](C)OC1CCCCCC1 ZINC001593603387 995769449 /nfs/dbraw/zinc/76/94/49/995769449.db2.gz UNODTYNKGATDRA-CVEARBPZSA-N -1 0 347.455 3.616 20 0 EHADRM C[C@H](Oc1ccc(CN2CC[C@H]2c2ccc(F)cc2)cc1)C(=O)[O-] ZINC001593615417 995832576 /nfs/dbraw/zinc/83/25/76/995832576.db2.gz JNANUOAMGDHUSC-UGSOOPFHSA-N -1 0 329.371 3.625 20 0 EHADRM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N([C@@H](C)C(=O)[O-])C1CCC1 ZINC001593635078 995930840 /nfs/dbraw/zinc/93/08/40/995930840.db2.gz LSIVNLYHSXWVBJ-UONOGXRCSA-N -1 0 347.455 3.606 20 0 EHADRM C[C@@H](Oc1ccccc1)C(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001593641376 995951521 /nfs/dbraw/zinc/95/15/21/995951521.db2.gz ICDUTIGSHSGDGT-FZKQIMNGSA-N -1 0 340.375 3.773 20 0 EHADRM C[C@@H](OC(=O)[C@H](C)SCc1ccccc1)c1cc(C(=O)[O-])co1 ZINC001593663757 996045890 /nfs/dbraw/zinc/04/58/90/996045890.db2.gz RFENPAMWDAGZFE-NEPJUHHUSA-N -1 0 334.393 3.904 20 0 EHADRM C[C@H](SCc1nnc(-c2ccc(Cl)cc2Cl)o1)C(=O)[O-] ZINC001593663930 996047759 /nfs/dbraw/zinc/04/77/59/996047759.db2.gz CMFTWUYKTKLZJY-LURJTMIESA-N -1 0 333.196 3.750 20 0 EHADRM CCOCc1cc(/C=C/c2ncc(/C=C/C(=O)[O-])s2)ccc1OC ZINC000079943476 1016004297 /nfs/dbraw/zinc/00/42/97/1016004297.db2.gz PWVPGVAGRLBDLL-XVYDYJIPSA-N -1 0 345.420 3.956 20 0 EHADRM CC(C)c1nc2ccccc2c(S[C@H](C)C(=O)C(C)(C)C(=O)[O-])n1 ZINC001593680341 996108181 /nfs/dbraw/zinc/10/81/81/996108181.db2.gz WUNRBGSODVHBKB-LLVKDONJSA-N -1 0 346.452 3.914 20 0 EHADRM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001593693504 996145133 /nfs/dbraw/zinc/14/51/33/996145133.db2.gz NBBOQHJNULZHBI-BBBLOLIVSA-N -1 0 330.211 3.624 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1Cl)N(C)c1cc(C(=O)[O-])ncn1 ZINC001593694216 996148588 /nfs/dbraw/zinc/14/85/88/996148588.db2.gz UUOAGAKYBPLLPT-QMMMGPOBSA-N -1 0 326.183 3.679 20 0 EHADRM C[C@H](c1ccccc1)N(C(=O)c1cc(C(=O)[O-])nn1C)c1ccccc1 ZINC001593705108 996187899 /nfs/dbraw/zinc/18/78/99/996187899.db2.gz GLXTYIYPMRVYKE-CQSZACIVSA-N -1 0 349.390 3.526 20 0 EHADRM C[C@@H](c1ccco1)N(C)C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001593719472 996243995 /nfs/dbraw/zinc/24/39/95/996243995.db2.gz MSBYLOJIZHKAPZ-QMMMGPOBSA-N -1 0 340.738 3.995 20 0 EHADRM C[C@@H](c1nnc(-c2ccccc2)o1)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001593738481 996348185 /nfs/dbraw/zinc/34/81/85/996348185.db2.gz VBZLODVJIFGVBD-ZDUSSCGKSA-N -1 0 337.379 3.628 20 0 EHADRM C[C@]1(C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])CCc2ccccc2C1 ZINC001593749994 996392271 /nfs/dbraw/zinc/39/22/71/996392271.db2.gz XHXPQYCLZJAETO-NQIIRXRSSA-N -1 0 343.467 3.579 20 0 EHADRM COC(=O)C[C@@H](C)S[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001598838933 996508725 /nfs/dbraw/zinc/50/87/25/996508725.db2.gz OAZFTEUYHZSLRJ-PELKAZGASA-N -1 0 336.331 3.516 20 0 EHADRM C[C@]1(C(=O)OCc2coc(-c3ccc(C(=O)[O-])cc3)n2)CC=CCC1 ZINC001593812840 996544634 /nfs/dbraw/zinc/54/46/34/996544634.db2.gz LRHIHWZDRHHZCJ-IBGZPJMESA-N -1 0 341.363 3.829 20 0 EHADRM CC1(C)C(c2cc(NC(=O)c3ccsc3C(=O)[O-])n[nH]2)C1(C)C ZINC001593837242 996594484 /nfs/dbraw/zinc/59/44/84/996594484.db2.gz GFBOKIJRLRHCRF-UHFFFAOYSA-N -1 0 333.413 3.571 20 0 EHADRM CC1(C)C[C@H](C(=O)Oc2cc3ccccc3cc2C(=O)[O-])CCO1 ZINC001593848450 996619530 /nfs/dbraw/zinc/61/95/30/996619530.db2.gz RGBVIWNRXBNZHJ-CQSZACIVSA-N -1 0 328.364 3.649 20 0 EHADRM CC1(C)C[C@H](CNc2ncc(C(=O)[O-])cc2C(F)(F)F)C(C)(C)O1 ZINC001593855198 996639859 /nfs/dbraw/zinc/63/98/59/996639859.db2.gz VVHBFJBEWYGKKK-SNVBAGLBSA-N -1 0 346.349 3.804 20 0 EHADRM CC1(C)C[C@@H](Nc2cc(C(=O)[O-])ccc2OCc2ccccc2)CO1 ZINC001593859919 996652723 /nfs/dbraw/zinc/65/27/23/996652723.db2.gz ORFMIVBGZBUHGC-MRXNPFEDSA-N -1 0 341.407 3.943 20 0 EHADRM COC(=O)CCc1ccc(NCc2cc(C(=O)[O-])c(C(C)C)[nH]2)cc1 ZINC001598858268 996655323 /nfs/dbraw/zinc/65/53/23/996655323.db2.gz AHMZNQITUAHQJN-UHFFFAOYSA-N -1 0 344.411 3.554 20 0 EHADRM CC1(C)CCC(=CC(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC001593871084 996683085 /nfs/dbraw/zinc/68/30/85/996683085.db2.gz MXJFXZXOAQHIKS-MRXNPFEDSA-N -1 0 333.403 3.637 20 0 EHADRM CC1(C)CC=C(c2nc(COc3cccc(C(=O)[O-])c3)no2)CC1 ZINC001593871519 996684517 /nfs/dbraw/zinc/68/45/17/996684517.db2.gz XALYTWBSYOJQEW-UHFFFAOYSA-N -1 0 328.368 3.940 20 0 EHADRM CC1(C)CC[C@H](C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)[C@H](c2ccccc2)C1 ZINC001593874295 996689128 /nfs/dbraw/zinc/68/91/28/996689128.db2.gz JEOPJNKEHDMOEZ-QAETUUGQSA-N -1 0 329.440 3.576 20 0 EHADRM CC1(C)CCC(CNc2ccc(C(=O)NCCC(=O)[O-])cc2)CC1 ZINC001593878799 996705699 /nfs/dbraw/zinc/70/56/99/996705699.db2.gz ACVZTLJEHPGNFA-UHFFFAOYSA-N -1 0 332.444 3.519 20 0 EHADRM CC1(C)CCC[C@@](NC(=O)C/C=C\Cc2ccccc2)(C(=O)[O-])C1 ZINC001593892480 996741129 /nfs/dbraw/zinc/74/11/29/996741129.db2.gz RTXJIMGFDJPITN-HCZHMGAMSA-N -1 0 329.440 3.715 20 0 EHADRM CC(C)(C)c1ncc(C(=O)N[C@]2(C(=O)[O-])CCCC(C)(C)C2)s1 ZINC001593892654 996742486 /nfs/dbraw/zinc/74/24/86/996742486.db2.gz RDTPSCFMKUCYMH-QGZVFWFLSA-N -1 0 338.473 3.594 20 0 EHADRM COc1ccc(C(=O)NCc2ccc(C(=O)[O-])s2)c2ccccc12 ZINC001599485139 996834572 /nfs/dbraw/zinc/83/45/72/996834572.db2.gz WVXYCVCXQOUPAD-UHFFFAOYSA-N -1 0 341.388 3.538 20 0 EHADRM COc1ccc(C(=O)Nc2c(C)c(C(=O)[O-])ccc2Cl)c(C)c1 ZINC001599486192 996853935 /nfs/dbraw/zinc/85/39/35/996853935.db2.gz YBLDRHIJUYRGRR-UHFFFAOYSA-N -1 0 333.771 3.916 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)[C@H]1c1cccnc1 ZINC001593934507 996900747 /nfs/dbraw/zinc/90/07/47/996900747.db2.gz MOEOXZODSKBFMT-HNNXBMFYSA-N -1 0 343.358 3.534 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cc(C(F)F)ccc2F)c1 ZINC001599489031 996904934 /nfs/dbraw/zinc/90/49/34/996904934.db2.gz CEMFQUNZBZVPRW-UHFFFAOYSA-N -1 0 339.269 3.722 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1ccccc1OCC(C)C ZINC001599386678 996958216 /nfs/dbraw/zinc/95/82/16/996958216.db2.gz OBEVSXWSJDLGST-UHFFFAOYSA-N -1 0 343.379 3.681 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)c2sc(C(C)(C)C)nc2C)c1 ZINC001599492196 996959080 /nfs/dbraw/zinc/95/90/80/996959080.db2.gz IUUXDBKUEUHTSM-UHFFFAOYSA-N -1 0 349.408 3.675 20 0 EHADRM COCc1cc(NC(=O)NCCCCC(C)(C)C)cc(C(=O)[O-])c1 ZINC001599286926 996994662 /nfs/dbraw/zinc/99/46/62/996994662.db2.gz BQNOIFBBLQFOOO-UHFFFAOYSA-N -1 0 336.432 3.869 20 0 EHADRM COc1ccc(C(=O)[O-])c2c1CN(C(=O)C[C@H](C)CC(C)(C)C)CC2 ZINC001599494842 997004567 /nfs/dbraw/zinc/00/45/67/997004567.db2.gz RSCDMBPQCRQYDP-ZDUSSCGKSA-N -1 0 347.455 3.741 20 0 EHADRM COCc1cc(OCc2ccc(C(=O)[O-])cc2)c2cc(F)ccc2n1 ZINC001599289057 997031806 /nfs/dbraw/zinc/03/18/06/997031806.db2.gz BCRZRWZHROBTMC-UHFFFAOYSA-N -1 0 341.338 3.798 20 0 EHADRM COc1ccc(C(=O)[O-])c2c1CN([C@H](C)c1ccc(F)c(F)c1)CC2 ZINC001599497630 997046550 /nfs/dbraw/zinc/04/65/50/997046550.db2.gz DGXZZDQSCPCXGD-LLVKDONJSA-N -1 0 347.361 3.791 20 0 EHADRM COc1ccc(C(=O)[O-])cc1CN(C)Cc1ccc(Cl)c(F)c1 ZINC001599498693 997067412 /nfs/dbraw/zinc/06/74/12/997067412.db2.gz GBVZRAITOAUGSW-UHFFFAOYSA-N -1 0 337.778 3.818 20 0 EHADRM CC1(C)Cc2cc(C(=O)N[C@H](CC3CCCCC3)C(=O)[O-])ccc2O1 ZINC001593965073 997102505 /nfs/dbraw/zinc/10/25/05/997102505.db2.gz UTGNUARNVVZZSI-MRXNPFEDSA-N -1 0 345.439 3.554 20 0 EHADRM COCc1ccc(N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]23)cc1C(F)(F)F ZINC001599294446 997113558 /nfs/dbraw/zinc/11/35/58/997113558.db2.gz GNZFTUIKIYREFC-HTTKSJEASA-N -1 0 343.345 3.763 20 0 EHADRM COc1ccc([C@H](C)N(C)C(=O)Nc2cc(C(=O)[O-])sc2C)cc1 ZINC001599507511 997236826 /nfs/dbraw/zinc/23/68/26/997236826.db2.gz QVBKKUHVDBEJOI-JTQLQIEISA-N -1 0 348.424 3.988 20 0 EHADRM COC1CCC(CC(=O)O[C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC001599100217 997369217 /nfs/dbraw/zinc/36/92/17/997369217.db2.gz OIWBSQZXNCXGPX-INORYPFCSA-N -1 0 340.803 3.604 20 0 EHADRM CC1(CCC(=O)Nc2cccc(C(=O)[O-])c2Br)CC1 ZINC001594001389 997371925 /nfs/dbraw/zinc/37/19/25/997371925.db2.gz FELDQYWGQOAOQV-UHFFFAOYSA-N -1 0 326.190 3.666 20 0 EHADRM C[C@@]1(CCNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)CC1(Cl)Cl ZINC001594008623 997437990 /nfs/dbraw/zinc/43/79/90/997437990.db2.gz ZYHHBOCSRYJCNF-CYBMUJFWSA-N -1 0 349.189 3.619 20 0 EHADRM COc1ccc([C@H](NC(=O)C[C@H](C)CCC=C(C)C)C(=O)[O-])cc1 ZINC001599520323 997467424 /nfs/dbraw/zinc/46/74/24/997467424.db2.gz RPALWIYGHQEQQI-KDOFPFPSSA-N -1 0 333.428 3.710 20 0 EHADRM CON(C(=O)c1sc2cc(F)ccc2c1Cl)[C@@H](C)CC(=O)[O-] ZINC001599314311 997470953 /nfs/dbraw/zinc/47/09/53/997470953.db2.gz SMWLSIFGTNCOHX-ZETCQYMHSA-N -1 0 345.779 3.561 20 0 EHADRM Cc1[nH]c2c(cc(C)cc2CN=c2[n-]nc(-c3ccon3)s2)c1C ZINC000340019832 1016126770 /nfs/dbraw/zinc/12/67/70/1016126770.db2.gz UTWJWUDKGRJMBR-UHFFFAOYSA-N -1 0 339.424 3.634 20 0 EHADRM COc1ccc([C@@H](NC(=O)/C(C)=C\C(C)(C)C)C(=O)[O-])cc1Cl ZINC001599521342 997486791 /nfs/dbraw/zinc/48/67/91/997486791.db2.gz SIMBDFJIVYFGOW-CFYYFVFUSA-N -1 0 339.819 3.583 20 0 EHADRM CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC001599317955 997531459 /nfs/dbraw/zinc/53/14/59/997531459.db2.gz WZLRDJZGVYNALP-GHMZBOCLSA-N -1 0 326.418 3.668 20 0 EHADRM CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC001599317951 997531865 /nfs/dbraw/zinc/53/18/65/997531865.db2.gz WVELSUBGRMKVKP-TZMCWYRMSA-N -1 0 334.416 3.915 20 0 EHADRM COc1cc(CNc2cc(C(=O)[O-])ccn2)ccc1OCCC(C)C ZINC001599419119 997563133 /nfs/dbraw/zinc/56/31/33/997563133.db2.gz UXJNWPHDGVJKHU-UHFFFAOYSA-N -1 0 344.411 3.825 20 0 EHADRM COc1cc(Cl)cc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(C)c2)c1 ZINC001599419991 997576942 /nfs/dbraw/zinc/57/69/42/997576942.db2.gz TUAYCJHZCHRKCT-INIZCTEOSA-N -1 0 347.798 3.603 20 0 EHADRM Cc1nc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)sc1C ZINC000340031465 1016142909 /nfs/dbraw/zinc/14/29/09/1016142909.db2.gz BRZPIVXBRVNOFP-UHFFFAOYSA-N -1 0 340.470 3.596 20 0 EHADRM COc1ccc([C@H](Nc2ncc(C(=O)[O-])cn2)c2ccc(C)cc2)cc1 ZINC001599532071 997672678 /nfs/dbraw/zinc/67/26/78/997672678.db2.gz NVJYIHGLAXRHHH-GOSISDBHSA-N -1 0 349.390 3.693 20 0 EHADRM COc1cc(F)cc(CNc2cc(C(=O)[O-])cc3cccnc32)c1 ZINC001599426390 997683435 /nfs/dbraw/zinc/68/34/35/997683435.db2.gz OJUMWFHSUYJGGK-UHFFFAOYSA-N -1 0 326.327 3.693 20 0 EHADRM COc1ccc(C)c2c1N(Cc1ccc(C(=O)[O-])c(F)c1)CCC2 ZINC001599534977 997726795 /nfs/dbraw/zinc/72/67/95/997726795.db2.gz WHTMLMNKQJCWTJ-UHFFFAOYSA-N -1 0 329.371 3.794 20 0 EHADRM COCCCC[C@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])c1ccccc1 ZINC001599224785 997738399 /nfs/dbraw/zinc/73/83/99/997738399.db2.gz VLYKNSYSOQLCTJ-KSZLIROESA-N -1 0 347.455 3.552 20 0 EHADRM CCN(C(=O)c1cc(F)c(F)c([O-])c1F)[C@@H](C)Cc1ccsc1 ZINC000275206465 1016151300 /nfs/dbraw/zinc/15/13/00/1016151300.db2.gz IWOCTFLPJWXDKU-VIFPVBQESA-N -1 0 343.370 3.964 20 0 EHADRM CC1(NC(=O)N[C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)CCCC1 ZINC001594052353 997756266 /nfs/dbraw/zinc/75/62/66/997756266.db2.gz JKFRRPCKUMYAMX-LBPRGKRZSA-N -1 0 344.333 3.620 20 0 EHADRM COc1c(C)cnc(CS[C@H](Cc2ccc(C)cc2)C(=O)[O-])c1C ZINC001599333828 997796954 /nfs/dbraw/zinc/79/69/54/997796954.db2.gz RUUPEODZIHSETO-QGZVFWFLSA-N -1 0 345.464 3.945 20 0 EHADRM COc1cc(NC(=O)N(C)C2CCCCCCC2)ccc1C(=O)[O-] ZINC001599433664 997804848 /nfs/dbraw/zinc/80/48/48/997804848.db2.gz GUWHIICUIHEZRK-UHFFFAOYSA-N -1 0 334.416 3.970 20 0 EHADRM COc1ccc(/C=C/C(=O)Nc2nc(C(C)C)c(C(=O)[O-])s2)cc1 ZINC001599544063 997893356 /nfs/dbraw/zinc/89/33/56/997893356.db2.gz QOIMMRAZUGKMPV-RMKNXTFCSA-N -1 0 346.408 3.625 20 0 EHADRM CC1(c2cccc(Cl)c2)CCN(C(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC001594072905 997925479 /nfs/dbraw/zinc/92/54/79/997925479.db2.gz FBJRUGHJXFUFEN-UHFFFAOYSA-N -1 0 346.814 3.560 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)c1ccc2cnccc2c1 ZINC001599546261 997928213 /nfs/dbraw/zinc/92/82/13/997928213.db2.gz VPIDYRVCKQJBHP-CLTKARDFSA-N -1 0 349.342 3.560 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1ccc2cnccc2c1 ZINC001599546264 997928222 /nfs/dbraw/zinc/92/82/22/997928222.db2.gz VPIDYRVCKQJBHP-XVNBXDOJSA-N -1 0 349.342 3.560 20 0 EHADRM COc1cc(NC(=O)Nc2ccc(O)c(C(C)C)c2)ccc1C(=O)[O-] ZINC001599440896 997928229 /nfs/dbraw/zinc/92/82/29/997928229.db2.gz JDOOBBWSELUCPD-UHFFFAOYSA-N -1 0 344.367 3.866 20 0 EHADRM COc1c(NC(=O)c2cc3cc(C)ccc3o2)cccc1C(=O)[O-] ZINC001599341600 997931310 /nfs/dbraw/zinc/93/13/10/997931310.db2.gz DSMFYOKHFUEZBE-UHFFFAOYSA-N -1 0 325.320 3.700 20 0 EHADRM COc1c(NC(=O)N[C@H]2CCC[C@@H]2C(C)(C)C)cccc1C(=O)[O-] ZINC001599341612 997931967 /nfs/dbraw/zinc/93/19/67/997931967.db2.gz SSPDZEGYHKUGBE-STQMWFEESA-N -1 0 334.416 3.730 20 0 EHADRM COc1c(NC(=O)c2ccc(C(C)(F)F)cc2)cccc1C(=O)[O-] ZINC001599342217 997941848 /nfs/dbraw/zinc/94/18/48/997941848.db2.gz IYUFPHHBXUFTTD-UHFFFAOYSA-N -1 0 335.306 3.757 20 0 EHADRM COc1cc(N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@@H]23)ccc1C(F)(F)F ZINC001599442331 997949998 /nfs/dbraw/zinc/94/99/98/997949998.db2.gz AMBUUHXJHTZSPU-SEMCEJNYSA-N -1 0 329.318 3.625 20 0 EHADRM COc1c(N[C@@H]2CCCc3ccc(C(C)C)cc32)ncnc1C(=O)[O-] ZINC001599344258 997974450 /nfs/dbraw/zinc/97/44/50/997974450.db2.gz IMYWFJVETYRDQE-OAHLLOKOSA-N -1 0 341.411 3.796 20 0 EHADRM COCCN(Cc1ccccc1)Cc1cc(C(=O)[O-])ccc1Cl ZINC001599237862 997979517 /nfs/dbraw/zinc/97/95/17/997979517.db2.gz LYKVEMHLSYRQCL-UHFFFAOYSA-N -1 0 333.815 3.687 20 0 EHADRM COc1ccc(C[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)[O-])cc1 ZINC001599549933 997989347 /nfs/dbraw/zinc/98/93/47/997989347.db2.gz DUKIAUOPDCMNDI-LLVKDONJSA-N -1 0 347.798 3.864 20 0 EHADRM COc1c(OC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)ccc2ccccc21 ZINC001599345523 997998249 /nfs/dbraw/zinc/99/82/49/997998249.db2.gz VKABCLADODHEPS-HDJSIYSDSA-N -1 0 328.364 3.645 20 0 EHADRM COc1cc(OC(=O)CC[C@@H](C)c2ccccc2)ccc1C(=O)[O-] ZINC001599446398 998015888 /nfs/dbraw/zinc/01/58/88/998015888.db2.gz ZDYDEZWGVOVQSB-CYBMUJFWSA-N -1 0 328.364 3.883 20 0 EHADRM COc1cc(C(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])ccc1C ZINC001599354643 998157962 /nfs/dbraw/zinc/15/79/62/998157962.db2.gz HCDMZTQVKLCVPP-UHFFFAOYSA-N -1 0 333.771 3.916 20 0 EHADRM COC(=O)c1cc(OCc2ccc3ccccc3c2)cc(C(=O)[O-])c1 ZINC001598951355 998158658 /nfs/dbraw/zinc/15/86/58/998158658.db2.gz GMTXSLLGFSKMEF-UHFFFAOYSA-N -1 0 336.343 3.904 20 0 EHADRM CC1=C(C(=O)[O-])C[C@@H](CSc2nc3cc(F)ccc3s2)O1 ZINC001594105720 998163360 /nfs/dbraw/zinc/16/33/60/998163360.db2.gz GNDYPNXTVUTENB-VIFPVBQESA-N -1 0 325.386 3.675 20 0 EHADRM COc1cc(C(=O)Nc2ccc(C(=O)[O-])s2)cc(OC)c1C(C)C ZINC001599355555 998172712 /nfs/dbraw/zinc/17/27/12/998172712.db2.gz AQQCTTLKGKDIRC-UHFFFAOYSA-N -1 0 349.408 3.839 20 0 EHADRM COc1cc(OCC(=O)c2c(C)cc(C)cc2C)ccc1C(=O)[O-] ZINC001599455648 998183760 /nfs/dbraw/zinc/18/37/60/998183760.db2.gz BSOAPKAKOMHSSZ-UHFFFAOYSA-N -1 0 328.364 3.580 20 0 EHADRM CC1=C(C)C[C@@](C)(C(=O)N2C[C@@H](C(=O)[O-])Cc3ccccc32)CC1 ZINC001594109141 998191010 /nfs/dbraw/zinc/19/10/10/998191010.db2.gz FRUNCSRSPYPAKJ-JXFKEZNVSA-N -1 0 327.424 3.803 20 0 EHADRM CC1=CC[C@](C)(C(=O)N2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)CC1 ZINC001594113978 998233428 /nfs/dbraw/zinc/23/34/28/998233428.db2.gz WRZBVGTXDLVVME-UGSOOPFHSA-N -1 0 348.468 3.684 20 0 EHADRM COC(=O)c1cc2cc(NCc3cc(C(=O)[O-])c(C)[nH]3)ccc2s1 ZINC001598957350 998267468 /nfs/dbraw/zinc/26/74/68/998267468.db2.gz DDLBEQLNOOZQAB-UHFFFAOYSA-N -1 0 344.392 3.635 20 0 EHADRM COCCOCc1cccc(NCc2cc(C(=O)[O-])ccc2Cl)c1 ZINC001599253327 998269979 /nfs/dbraw/zinc/26/99/79/998269979.db2.gz ZBUVKQIQTIQRCI-UHFFFAOYSA-N -1 0 349.814 3.813 20 0 EHADRM COc1cc(C(=O)[O-])cc(N[C@H](C)Cc2ccccc2F)c1OC ZINC001599362258 998279904 /nfs/dbraw/zinc/27/99/04/998279904.db2.gz PWZMDUIVZCGSMV-LLVKDONJSA-N -1 0 333.359 3.584 20 0 EHADRM C[C@@H]1C(=O)CC[C@@H](c2nc(-c3ccc(C(=O)[O-])cc3)no2)C1(C)C ZINC001594123321 998292855 /nfs/dbraw/zinc/29/28/55/998292855.db2.gz YNXWGHZBQYSKMQ-MFKMUULPSA-N -1 0 328.368 3.544 20 0 EHADRM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H]2CC[C@H](C(C)C)CC2)c1 ZINC001598964019 998383224 /nfs/dbraw/zinc/38/32/24/998383224.db2.gz PSZGTNLJCNOZAK-JOCQHMNTSA-N -1 0 347.411 3.572 20 0 EHADRM C[C@@H]1[C@@H](C(=O)N(CCC(=O)[O-])c2cccc(F)c2)[C@@H]1c1ccccc1 ZINC001594138026 998399176 /nfs/dbraw/zinc/39/91/76/998399176.db2.gz ZTJVZBZBPGTFPX-FASAQXTFSA-N -1 0 341.382 3.683 20 0 EHADRM COc1ccc(-c2cnc(CSc3ncccc3C(=O)[O-])o2)cc1 ZINC001599468913 998414244 /nfs/dbraw/zinc/41/42/44/998414244.db2.gz FUUJVPLBVWSBQM-UHFFFAOYSA-N -1 0 342.376 3.736 20 0 EHADRM COc1ccc(COc2cc(/C=C/C(=O)[O-])ccc2OC)cc1C ZINC001599575669 998438297 /nfs/dbraw/zinc/43/82/97/998438297.db2.gz IETVWLNKMKVPHK-RMKNXTFCSA-N -1 0 328.364 3.689 20 0 EHADRM COC[C@H](CC(C)(C)C)NC(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC001599159884 998439957 /nfs/dbraw/zinc/43/99/57/998439957.db2.gz JLRKDAUBARUVSO-ZDUSSCGKSA-N -1 0 336.432 3.574 20 0 EHADRM COc1ccc(-n2c(C)nnc2S[C@H](CC(C)(C)C)C(=O)[O-])cc1 ZINC001599474201 998500919 /nfs/dbraw/zinc/50/09/19/998500919.db2.gz XJDWZVXORDZBEP-CQSZACIVSA-N -1 0 349.456 3.566 20 0 EHADRM COc1ccc(-n2ccnc2SC[C@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC001599474279 998502462 /nfs/dbraw/zinc/50/24/62/998502462.db2.gz JMEKZQCMEQXVSY-CJNGLKHVSA-N -1 0 346.452 3.864 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)C1(Sc2ccccc2)CC1 ZINC001599377646 998513841 /nfs/dbraw/zinc/51/38/41/998513841.db2.gz ILHDXPPRYHPBDS-UHFFFAOYSA-N -1 0 344.388 3.624 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)/C=C\c1ccccc1Cl ZINC001599378512 998528951 /nfs/dbraw/zinc/52/89/51/998528951.db2.gz NSRGHUMXHYPQKH-CLFYSBASSA-N -1 0 332.739 3.666 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)Cc1cccc2ccccc21 ZINC001599378815 998534303 /nfs/dbraw/zinc/53/43/03/998534303.db2.gz PZAPDUFKSURTGO-UHFFFAOYSA-N -1 0 336.343 3.695 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC001594157047 998573703 /nfs/dbraw/zinc/57/37/03/998573703.db2.gz QDAVLYFCLKDOQA-DYVFJYSZSA-N -1 0 346.427 3.725 20 0 EHADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)[C@@H]1CCCC[C@H]1c1cccc(Cl)c1 ZINC001594157783 998578850 /nfs/dbraw/zinc/57/88/50/998578850.db2.gz XPPKFPPCFQAUBG-NKKGCODLSA-N -1 0 349.858 3.935 20 0 EHADRM Cc1ccc(CCC(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])cc1Cl ZINC000683332561 1016233529 /nfs/dbraw/zinc/23/35/29/1016233529.db2.gz GJOBXQGHWYMKFV-RDTXWAMCSA-N -1 0 337.847 3.731 20 0 EHADRM C[C@@H]1[C@H](C(F)(F)F)CCN1c1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001594177407 998688840 /nfs/dbraw/zinc/68/88/40/998688840.db2.gz XHVJOYXDOYRXSO-HTRCEHHLSA-N -1 0 342.239 3.576 20 0 EHADRM COC(=O)c1ccc(OC(C)C)c(NC2CCC(CC(=O)[O-])CC2)c1 ZINC001598984937 998691005 /nfs/dbraw/zinc/69/10/05/998691005.db2.gz VXDVXPCGZMBVLW-UHFFFAOYSA-N -1 0 349.427 3.706 20 0 EHADRM CC(C)[C@H]1CCc2[n-]n(-c3cc(C(F)(F)F)ccn3)c(=O)c2C1 ZINC000634608901 1016247686 /nfs/dbraw/zinc/24/76/86/1016247686.db2.gz PRMKFZMYJAXJGK-CMPLNLGQSA-N -1 0 325.334 3.875 20 0 EHADRM CC(C)Oc1c(NC(=O)N2C[C@H](C)C[C@@H](C)C2)cccc1C(=O)[O-] ZINC001594221410 998852514 /nfs/dbraw/zinc/85/25/14/998852514.db2.gz NFFBEPITAASYBO-CHWSQXEVSA-N -1 0 334.416 3.682 20 0 EHADRM C[C@@H](SCc1ccccc1C(=O)[O-])C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC001594222561 998857497 /nfs/dbraw/zinc/85/74/97/998857497.db2.gz YGHRSOGFFUMGLA-HZSPNIEDSA-N -1 0 335.469 3.511 20 0 EHADRM C[C@H]1C[C@H](CNC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)C[C@@H](C)C1 ZINC001594222798 998858618 /nfs/dbraw/zinc/85/86/18/998858618.db2.gz JGDJBUAHEZIAKR-FICVDOATSA-N -1 0 344.455 3.525 20 0 EHADRM C[C@H]1C[C@@H](CC(=O)N(C)c2ccc(OCC(=O)[O-])cc2)CC(C)(C)C1 ZINC001594232498 998885330 /nfs/dbraw/zinc/88/53/30/998885330.db2.gz LPVAYVALJAZKOE-GJZGRUSLSA-N -1 0 347.455 3.965 20 0 EHADRM CO[C@@](C)(C(=O)Nc1ccc(SC)c(C(=O)[O-])c1)c1ccccc1 ZINC001599029285 999038490 /nfs/dbraw/zinc/03/84/90/999038490.db2.gz FPVJEWOAOLBWEA-GOSISDBHSA-N -1 0 345.420 3.607 20 0 EHADRM CO[C@](C)(C(=O)OCc1cc(C(=O)[O-])ccc1Cl)c1ccccc1 ZINC001599030049 999043796 /nfs/dbraw/zinc/04/37/96/999043796.db2.gz PRIZNPCCLQRIPZ-SFHVURJKSA-N -1 0 348.782 3.643 20 0 EHADRM CO[C@@H](C(=O)Oc1ccc(C(=O)[O-])cc1Cl)C1CCCCC1 ZINC001599032386 999059477 /nfs/dbraw/zinc/05/94/77/999059477.db2.gz ZPPRDYVLBWQWRZ-CQSZACIVSA-N -1 0 326.776 3.539 20 0 EHADRM C[C@H]1C[C@@H]1c1cc(NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)n[nH]1 ZINC001594277370 999073400 /nfs/dbraw/zinc/07/34/00/999073400.db2.gz OZSKILSJLCUNHN-GWCFXTLKSA-N -1 0 342.399 3.539 20 0 EHADRM C[C@H]1C[C@@H]1c1cc(NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)n[nH]1 ZINC001594277954 999075469 /nfs/dbraw/zinc/07/54/69/999075469.db2.gz SUWJEODQSHKKAN-XVKPBYJWSA-N -1 0 334.763 3.529 20 0 EHADRM C[C@@H]1CC/C(=C/C(=O)Oc2ccc(C(=O)[O-])cc2Br)C1 ZINC001594292568 999128633 /nfs/dbraw/zinc/12/86/33/999128633.db2.gz RLMDRXPXQBQICR-SBMLRHLQSA-N -1 0 339.185 3.799 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1CNC(=O)c1cccc(CC(=O)[O-])c1 ZINC001594298371 999151273 /nfs/dbraw/zinc/15/12/73/999151273.db2.gz IFQBXBGUKJQWOS-JLSDUUJJSA-N -1 0 331.456 3.752 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Oc1ccc(C(=O)[O-])cc1 ZINC001594299431 999156200 /nfs/dbraw/zinc/15/62/00/999156200.db2.gz ZPBMJAVJYMKIHP-XYPHTWIQSA-N -1 0 334.412 3.768 20 0 EHADRM C[C@H]1CC[C@H](C)N(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)C1 ZINC001594299971 999158726 /nfs/dbraw/zinc/15/87/26/999158726.db2.gz LMPIMVRLQZUPBU-IUCAKERBSA-N -1 0 328.771 3.830 20 0 EHADRM C[C@H]1CC[C@@H](NC(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)C1 ZINC001594315721 999223365 /nfs/dbraw/zinc/22/33/65/999223365.db2.gz YUSMTPIWRRZOIY-UONOGXRCSA-N -1 0 345.443 3.685 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C[C@H]1C ZINC001594315914 999223664 /nfs/dbraw/zinc/22/36/64/999223664.db2.gz ZAJABQVHQNCTNI-JHNDHUHGSA-N -1 0 346.471 3.962 20 0 EHADRM CO[C@H](CSc1nc(C(F)(F)F)ccc1C(=O)[O-])C1CCC1 ZINC001599056798 999235893 /nfs/dbraw/zinc/23/58/93/999235893.db2.gz DWSWNZUGJPZRPN-SNVBAGLBSA-N -1 0 335.347 3.706 20 0 EHADRM C[C@@H]1CC[C@@](NCc2cnc(Cl)s2)(C(=O)[O-])c2ccccc21 ZINC001594321698 999237221 /nfs/dbraw/zinc/23/72/21/999237221.db2.gz VJQUVOBNSXRGKJ-HWPZZCPQSA-N -1 0 336.844 3.764 20 0 EHADRM C[C@H]1CC[C@](NC(=O)c2cc3ccccc3[nH]2)(C(=O)[O-])c2ccccc21 ZINC001594321638 999237310 /nfs/dbraw/zinc/23/73/10/999237310.db2.gz FMCWKRSEWUSBIM-YEJXKQKISA-N -1 0 348.402 3.775 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)c2ccc(Cl)cc2)(C(=O)[O-])c2ccccc21 ZINC001594322310 999241472 /nfs/dbraw/zinc/24/14/72/999241472.db2.gz JZZXCLBFZIDKLL-BUXKBTBVSA-N -1 0 343.810 3.947 20 0 EHADRM COC1(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CCCCC1 ZINC001599063528 999282817 /nfs/dbraw/zinc/28/28/17/999282817.db2.gz OLEPKPFQXBALJL-UHFFFAOYSA-N -1 0 327.380 3.826 20 0 EHADRM C[C@@H]1CCC[C@H](C2CN(C(=O)Nc3cc(C(=O)[O-])ccc3F)C2)C1 ZINC001594344411 999302558 /nfs/dbraw/zinc/30/25/58/999302558.db2.gz CXFLJXKRHKDBDS-NEPJUHHUSA-N -1 0 334.391 3.814 20 0 EHADRM CC(C)Oc1ccc(NC(=O)CO[C@H]2CCC[C@@H](C)C2)c(C(=O)[O-])c1 ZINC001594355423 999341153 /nfs/dbraw/zinc/34/11/53/999341153.db2.gz KEDJWBGQQQHWJZ-KGLIPLIRSA-N -1 0 349.427 3.706 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)Nc1cccc(CO[C@H]2CCC[C@H](C)C2)c1 ZINC001594356106 999343962 /nfs/dbraw/zinc/34/39/62/999343962.db2.gz QXEHBBXEOXOEJS-VBQJREDUSA-N -1 0 348.443 3.767 20 0 EHADRM C[C@H]1CCC[C@H]1CC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001594357892 999353345 /nfs/dbraw/zinc/35/33/45/999353345.db2.gz QMNJARAZSIWOMA-STQMWFEESA-N -1 0 329.396 3.616 20 0 EHADRM C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001594367595 999389445 /nfs/dbraw/zinc/38/94/45/999389445.db2.gz VSAMCDJSZKYTTH-PELKAZGASA-N -1 0 328.771 3.878 20 0 EHADRM C[C@H]1CCCCN1NC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001594376582 999421456 /nfs/dbraw/zinc/42/14/56/999421456.db2.gz VKWCANKSSKMQDK-AWEZNQCLSA-N -1 0 338.407 3.571 20 0 EHADRM C[C@H]1CCCc2ccccc2[C@H]1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001594389116 999473507 /nfs/dbraw/zinc/47/35/07/999473507.db2.gz RINRGNSTGIDAJF-SGTLLEGYSA-N -1 0 341.382 3.967 20 0 EHADRM C[C@@H](C(=O)N1CC[C@@H](C)C[C@@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001594396586 999494855 /nfs/dbraw/zinc/49/48/55/999494855.db2.gz YZNMJHVRQQBJFG-JTNHKYCSSA-N -1 0 343.345 3.521 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)CC1(C)C ZINC001594405093 999516583 /nfs/dbraw/zinc/51/65/83/999516583.db2.gz JDIQJKFHZWQDOZ-LLVKDONJSA-N -1 0 329.400 3.766 20 0 EHADRM C[C@H]1CCSCCN1C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001594440682 999626307 /nfs/dbraw/zinc/62/63/07/999626307.db2.gz VNLCIYUHYFVPFU-LBPRGKRZSA-N -1 0 344.436 3.897 20 0 EHADRM C[C@@H]1CCc2sc(-c3nnc(-c4ccnc(C(=O)[O-])c4)o3)cc2C1 ZINC001594450280 999646881 /nfs/dbraw/zinc/64/68/81/999646881.db2.gz CYTNLUPPKAYJKH-SECBINFHSA-N -1 0 341.392 3.683 20 0 EHADRM CCC(CC)(CNC(=O)N1CCCC[C@@H]1c1ccccc1)C(=O)[O-] ZINC000424431525 1016514809 /nfs/dbraw/zinc/51/48/09/1016514809.db2.gz OXWRFHWHHCHJRV-MRXNPFEDSA-N -1 0 332.444 3.814 20 0 EHADRM O=C(c1cncc(O)c1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000109042467 1016647115 /nfs/dbraw/zinc/64/71/15/1016647115.db2.gz XPINZNUVAVTUAD-UHFFFAOYSA-N -1 0 337.206 3.899 20 0 EHADRM Cc1cccc(C)c1[C@@H]1CCCN1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000659407099 1016661810 /nfs/dbraw/zinc/66/18/10/1016661810.db2.gz DHRKPSXZCWBYGQ-JCYILVPMSA-N -1 0 344.455 3.793 20 0 EHADRM O=S(=O)([O-])c1cccc2cc(Nc3ccc(F)cc3O)ccc21 ZINC001210016514 1016863992 /nfs/dbraw/zinc/86/39/92/1016863992.db2.gz JARHAZCCICTJMB-UHFFFAOYSA-N -1 0 333.340 3.675 20 0 EHADRM C[C@H](NC(=O)Cc1csc2ccccc12)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655583047 1016927800 /nfs/dbraw/zinc/92/78/00/1016927800.db2.gz VBYLKMVQMFMULT-TUKIKUTGSA-N -1 0 345.464 3.695 20 0 EHADRM C[C@@H](Cc1ccco1)C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000659764452 1016983378 /nfs/dbraw/zinc/98/33/78/1016983378.db2.gz KXXWDBLIBJDCSF-AWEZNQCLSA-N -1 0 341.407 3.563 20 0 EHADRM C[C@H](NC(=O)Cc1cccc2ccccc21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655585371 1016984015 /nfs/dbraw/zinc/98/40/15/1016984015.db2.gz WSJIGJWFEIVIEF-DOPJRALCSA-N -1 0 339.435 3.634 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)nn1C(C)C ZINC000655585538 1017011227 /nfs/dbraw/zinc/01/12/27/1017011227.db2.gz ZDEIWUOVCGUCJZ-UHFFFAOYSA-N -1 0 327.837 3.535 20 0 EHADRM O=C([O-])[C@H]1CC[C@@H](c2ccccc2)N1Cc1nc(C2CCCC2)no1 ZINC000659793982 1017029873 /nfs/dbraw/zinc/02/98/73/1017029873.db2.gz CHGGRNMMPLNYHZ-JKSUJKDBSA-N -1 0 341.411 3.518 20 0 EHADRM O=S(=O)([N-]c1cccnc1-c1ccccc1)c1cccc(F)c1F ZINC000533625107 1017030405 /nfs/dbraw/zinc/03/04/05/1017030405.db2.gz AVLCKXSULNUMLQ-UHFFFAOYSA-N -1 0 346.358 3.828 20 0 EHADRM CC[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1ccc(OC)cc1 ZINC000183343756 1032162189 /nfs/dbraw/zinc/16/21/89/1032162189.db2.gz YSRVGZVWMVUOIO-CYBMUJFWSA-N -1 0 339.313 3.699 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCC[C@]2(CC=CCC2)C1 ZINC000183622818 1032211454 /nfs/dbraw/zinc/21/14/54/1032211454.db2.gz WSWXTGDRPZQOMI-QGZVFWFLSA-N -1 0 325.330 3.772 20 0 EHADRM CCc1ccc(O)c(C(=O)N2C[C@@H](C)OC[C@H]2c2ccccc2)c1 ZINC000536724805 1032216591 /nfs/dbraw/zinc/21/65/91/1032216591.db2.gz PYYMNWNDKXJTJS-KDOFPFPSSA-N -1 0 325.408 3.557 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)cc1C ZINC000538297562 1032277952 /nfs/dbraw/zinc/27/79/52/1032277952.db2.gz ZFGCAAMRDMNXSR-NSHDSACASA-N -1 0 341.864 3.925 20 0 EHADRM COC(=O)c1cc(Nc2ccc(C(=O)[O-])cc2C)c(Cl)s1 ZINC001211616663 1032282883 /nfs/dbraw/zinc/28/28/83/1032282883.db2.gz SRKAOKSFRZOFPB-UHFFFAOYSA-N -1 0 325.773 3.938 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2Cl)c2n[nH]cc21 ZINC000538298836 1032280859 /nfs/dbraw/zinc/28/08/59/1032280859.db2.gz QBNRKZBJCZEUNU-UHFFFAOYSA-N -1 0 335.816 3.634 20 0 EHADRM CC1(C)Cc2ccsc2CN1Cc1nc(=O)c2sccc2[n-]1 ZINC000459582338 1032281358 /nfs/dbraw/zinc/28/13/58/1032281358.db2.gz NFVANWIYTKTPKU-UHFFFAOYSA-N -1 0 331.466 3.795 20 0 EHADRM CC(C)(C)c1cnc(NC(=O)c2cnc3ccccc3c2O)s1 ZINC000081233510 1032287528 /nfs/dbraw/zinc/28/75/28/1032287528.db2.gz DONDAGNQTHOJGW-UHFFFAOYSA-N -1 0 327.409 3.534 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2cc(F)c(F)cc2F)CCCCC1 ZINC000238090204 1032314477 /nfs/dbraw/zinc/31/44/77/1032314477.db2.gz FMYGWSROJARMPL-UHFFFAOYSA-N -1 0 329.318 3.858 20 0 EHADRM CSc1ccc(NC(=O)CC[C@@H]2CC(C)(C)CO2)cc1C(=O)[O-] ZINC000905043933 1032324336 /nfs/dbraw/zinc/32/43/36/1032324336.db2.gz LEQMUWFXTKXRFD-GFCCVEGCSA-N -1 0 337.441 3.641 20 0 EHADRM CCOc1ccccc1[C@@H](CC)NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000905125765 1032356233 /nfs/dbraw/zinc/35/62/33/1032356233.db2.gz SFQSOARTVQMSFO-IJEWVQPXSA-N -1 0 333.428 3.544 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)N[C@@H](c1ccccn1)C1CC1)C1CCCCC1 ZINC000905131018 1032358100 /nfs/dbraw/zinc/35/81/00/1032358100.db2.gz MDUAERJAIXPTTG-QUCCMNQESA-N -1 0 344.455 3.710 20 0 EHADRM CC(C)[C@H](SCc1ccccc1)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000262958023 1032366315 /nfs/dbraw/zinc/36/63/15/1032366315.db2.gz LVBYXCOXFBJHAL-XIRDDKMYSA-N -1 0 349.496 3.514 20 0 EHADRM CC(C)Sc1c(Cl)cccc1NC(=O)N(C)CCC(=O)[O-] ZINC000263011885 1032410560 /nfs/dbraw/zinc/41/05/60/1032410560.db2.gz HRTJGXSYLYDOGA-UHFFFAOYSA-N -1 0 330.837 3.779 20 0 EHADRM C[C@H](C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000263056131 1032423384 /nfs/dbraw/zinc/42/33/84/1032423384.db2.gz AKQLRSVNFHIDEB-NHCYSSNCSA-N -1 0 344.238 3.809 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)N1CC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000414628905 1017081762 /nfs/dbraw/zinc/08/17/62/1017081762.db2.gz NHJXNYSBBJJNEK-WHOFXGATSA-N -1 0 338.835 3.543 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cc1C ZINC000537196207 1032555030 /nfs/dbraw/zinc/55/50/30/1032555030.db2.gz ZWXZZLCECIBTQF-LLVKDONJSA-N -1 0 341.864 3.925 20 0 EHADRM CCC(CC)[C@H](NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-])c1cccs1 ZINC000601993501 1032584850 /nfs/dbraw/zinc/58/48/50/1032584850.db2.gz JRTQNGCKLAYWBO-GYSYKLTISA-N -1 0 343.514 3.936 20 0 EHADRM CCC[C@H](NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])c1ccc(F)cc1F ZINC000601991920 1032585152 /nfs/dbraw/zinc/58/51/52/1032585152.db2.gz QJYFIOGPBBMNNS-BHDSKKPTSA-N -1 0 345.411 3.517 20 0 EHADRM O=C(c1cccc(Br)c1[O-])N1CCC[C@@H]1C1CCCC1 ZINC000592848350 1032594016 /nfs/dbraw/zinc/59/40/16/1032594016.db2.gz IZSKDVBWWKFULD-CQSZACIVSA-N -1 0 338.245 3.950 20 0 EHADRM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000606201260 1032604031 /nfs/dbraw/zinc/60/40/31/1032604031.db2.gz VCIUIFGOWMZMPW-NSHDSACASA-N -1 0 349.356 3.612 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3noc(C)n3)c2)sc1C ZINC000091015194 1032616500 /nfs/dbraw/zinc/61/65/00/1032616500.db2.gz ZJIDJEKITLAVHC-UHFFFAOYSA-N -1 0 349.437 3.524 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1csc(-c2ccccn2)n1 ZINC000172356715 1032618997 /nfs/dbraw/zinc/61/89/97/1032618997.db2.gz VQINOVVAVINAFQ-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000414629915 1017090858 /nfs/dbraw/zinc/09/08/58/1017090858.db2.gz UYGIDBQIXIJPHJ-VNCIIQTRSA-N -1 0 344.455 3.608 20 0 EHADRM Cc1cccc([C@H]2CCCCN2C(=O)c2ccc(C(=O)[O-])o2)c1C ZINC000237797064 1017142640 /nfs/dbraw/zinc/14/26/40/1017142640.db2.gz RYDUQSCBWFNFDZ-OAHLLOKOSA-N -1 0 327.380 3.962 20 0 EHADRM CC[C@H]1[C@H](C)CCN1C(=O)N=c1[n-]nc(-c2cc(F)ccc2C)s1 ZINC000471353747 1017171459 /nfs/dbraw/zinc/17/14/59/1017171459.db2.gz ODNCNMYDBYTKBY-RISCZKNCSA-N -1 0 348.447 3.727 20 0 EHADRM CC[C@@H]1CCCCN1C(=O)N=c1[n-]nc(-c2cc(F)ccc2C)s1 ZINC000471358142 1017190150 /nfs/dbraw/zinc/19/01/50/1017190150.db2.gz SBMYICWLBVXBEA-CYBMUJFWSA-N -1 0 348.447 3.871 20 0 EHADRM CC(=O)c1cc(F)c([N-]C(=O)c2coc(C3CCC3)n2)c(F)c1F ZINC000683450111 1017199536 /nfs/dbraw/zinc/19/95/36/1017199536.db2.gz SVVNHSALEFHDQE-UHFFFAOYSA-N -1 0 338.285 3.814 20 0 EHADRM O=C(CCCc1ccc(O)c(F)c1)N[C@@H](c1ccncc1)C1CC1 ZINC000890909327 1017323739 /nfs/dbraw/zinc/32/37/39/1017323739.db2.gz LWKNJUTXXAGUSJ-LJQANCHMSA-N -1 0 328.387 3.517 20 0 EHADRM Cc1ccnc(-c2ccc(NC(=O)c3cc(F)c([O-])c(F)c3)cc2)n1 ZINC000183629809 1017356724 /nfs/dbraw/zinc/35/67/24/1017356724.db2.gz MQXNNGKFSFAZTG-UHFFFAOYSA-N -1 0 341.317 3.688 20 0 EHADRM CCn1ccnc1[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1O ZINC000377208177 1017446653 /nfs/dbraw/zinc/44/66/53/1017446653.db2.gz QONPFVRVPGYBQJ-AWEZNQCLSA-N -1 0 333.819 3.629 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])C1CCCCC1)c1ccc(F)cc1 ZINC000537401144 1032703378 /nfs/dbraw/zinc/70/33/78/1032703378.db2.gz NAMQOXRUISRORB-GUYCJALGSA-N -1 0 335.419 3.859 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)N[C@H](CC(=O)[O-])C1CCCCC1 ZINC000537402255 1032704084 /nfs/dbraw/zinc/70/40/84/1032704084.db2.gz FBIFVDVAJAPYFN-RDTXWAMCSA-N -1 0 349.446 3.934 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(Cl)cc1F)C1CCCCC1 ZINC000537403340 1032704405 /nfs/dbraw/zinc/70/44/05/1032704405.db2.gz KWNQOLJNBFUSOE-CQSZACIVSA-N -1 0 327.783 3.633 20 0 EHADRM CC(C)(C)c1ncc(CN=c2[n-]nc(Cc3cccc(F)c3)o2)s1 ZINC000537405130 1032706564 /nfs/dbraw/zinc/70/65/64/1032706564.db2.gz ORRVDQPVVGDDNN-UHFFFAOYSA-N -1 0 346.431 3.588 20 0 EHADRM Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000137292913 1032714684 /nfs/dbraw/zinc/71/46/84/1032714684.db2.gz APRHNJGADSXIOS-SNVBAGLBSA-N -1 0 335.835 3.797 20 0 EHADRM Cc1cn(-c2ccccc2)nc1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000683620060 1017729046 /nfs/dbraw/zinc/72/90/46/1017729046.db2.gz LIHHMTBBQMHFQB-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000683631673 1017812362 /nfs/dbraw/zinc/81/23/62/1017812362.db2.gz JJFHCXDSQNQZJL-VXNVDRBHSA-N -1 0 339.716 3.988 20 0 EHADRM CC(C)[C@H](CNC(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1)C(=O)[O-] ZINC000655897101 1017877108 /nfs/dbraw/zinc/87/71/08/1017877108.db2.gz RTRJLQXZKVRIDM-IRXDYDNUSA-N -1 0 344.455 3.670 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)c1 ZINC000659131509 1017884184 /nfs/dbraw/zinc/88/41/84/1017884184.db2.gz YJILLXDOACNPOT-SHTZXODSSA-N -1 0 331.412 3.695 20 0 EHADRM Cc1cc(Nc2cc(Br)cn3ccnc23)ccc1C(=O)[O-] ZINC001211650012 1017938142 /nfs/dbraw/zinc/93/81/42/1017938142.db2.gz KYCCBSSCADNIRF-UHFFFAOYSA-N -1 0 346.184 3.847 20 0 EHADRM O=C([O-])[C@@]1(CC(=O)Nc2ccc(-c3ccccc3)cc2)CCSC1 ZINC000146869269 1018052948 /nfs/dbraw/zinc/05/29/48/1018052948.db2.gz WCGDTJKKKKARCL-LJQANCHMSA-N -1 0 341.432 3.890 20 0 EHADRM COc1c(C)ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1C ZINC000031722575 1032751706 /nfs/dbraw/zinc/75/17/06/1032751706.db2.gz JTJOFFMZTCJPQI-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM Cc1ncn(CCCCc2noc(-c3ccc(Cl)cc3[O-])n2)c1C ZINC000656038006 1018311426 /nfs/dbraw/zinc/31/14/26/1018311426.db2.gz PYZMUOSXHACDBC-UHFFFAOYSA-N -1 0 346.818 3.932 20 0 EHADRM COc1cc(C(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)cc(OC)c1O ZINC000163808692 1018528070 /nfs/dbraw/zinc/52/80/70/1018528070.db2.gz XYYBIGDYICBVJZ-TZMCWYRMSA-N -1 0 345.395 3.616 20 0 EHADRM O=C([O-])c1c2c(nc3ccccc31)/C(=C\c1cc3n(n1)CCCC3)CC2 ZINC000656103418 1018538598 /nfs/dbraw/zinc/53/85/98/1018538598.db2.gz KBZDMONPTQUBDR-QBFSEMIESA-N -1 0 345.402 3.953 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NCc1nc2ccc(Cl)cc2n1C ZINC000580104127 1018651689 /nfs/dbraw/zinc/65/16/89/1018651689.db2.gz CTHXWQVEVXISDC-UHFFFAOYSA-N -1 0 329.787 3.845 20 0 EHADRM CCCN(C(=O)Nc1cc(F)c(SC)c(F)c1)[C@H](CC)C(=O)[O-] ZINC000580149817 1018714120 /nfs/dbraw/zinc/71/41/20/1018714120.db2.gz OHQUVACWXYYOGB-GFCCVEGCSA-N -1 0 346.399 3.794 20 0 EHADRM COc1c(C(=O)[O-])sc(C)c1-c1ccc(O[C@H]2CCOC2)cc1 ZINC000564584545 1018732895 /nfs/dbraw/zinc/73/28/95/1018732895.db2.gz GHFXNCQSVOKOSH-ZDUSSCGKSA-N -1 0 334.393 3.598 20 0 EHADRM C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)[N-]OCC1CCC1 ZINC001167369024 1018812269 /nfs/dbraw/zinc/81/22/69/1018812269.db2.gz OEPSHPLZHBWDNY-MRXNPFEDSA-N -1 0 339.435 3.893 20 0 EHADRM CCCn1nc(C)c(-c2ccc([S@](=O)CCCC(=O)[O-])cc2)c1C ZINC000564587327 1018854879 /nfs/dbraw/zinc/85/48/79/1018854879.db2.gz YPEMZPOVYAKQNO-XMMPIXPASA-N -1 0 348.468 3.549 20 0 EHADRM CCOc1cc(-c2ccccc2)sc1C(=O)N[C@H](C)CCC(=O)[O-] ZINC000237068168 1018963267 /nfs/dbraw/zinc/96/32/67/1018963267.db2.gz XYKJTAMZQNLXDX-GFCCVEGCSA-N -1 0 347.436 3.797 20 0 EHADRM CCOc1cc(-c2ccccc2)sc1C(=O)N[C@@H](C)CCC(=O)[O-] ZINC000237067874 1018963289 /nfs/dbraw/zinc/96/32/89/1018963289.db2.gz XYKJTAMZQNLXDX-LBPRGKRZSA-N -1 0 347.436 3.797 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2csc3c2CCCC3)c1 ZINC000261759665 1018970772 /nfs/dbraw/zinc/97/07/72/1018970772.db2.gz PSKPKCCDELFHPS-UHFFFAOYSA-N -1 0 329.421 3.896 20 0 EHADRM O=C(C=Cc1ccccc1F)[N-]S(=O)(=O)c1ccccc1Cl ZINC000048576639 1018995375 /nfs/dbraw/zinc/99/53/75/1018995375.db2.gz PSXZHKUABXTECJ-MDZDMXLPSA-N -1 0 339.775 3.838 20 0 EHADRM COc1cc(Cl)c(C)cc1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000052634125 1019126808 /nfs/dbraw/zinc/12/68/08/1019126808.db2.gz HVVIYMLSGVJMQC-UHFFFAOYSA-N -1 0 342.782 3.751 20 0 EHADRM O=C([O-])C1([NH2+]Cc2csc(COc3ccccc3)n2)CCCCC1 ZINC000340671612 1019144757 /nfs/dbraw/zinc/14/47/57/1019144757.db2.gz DOMPUZXHAFJSGG-UHFFFAOYSA-N -1 0 346.452 3.599 20 0 EHADRM O=C([O-])c1ccccc1Nc1ccnc(Cl)c1Br ZINC001210970385 1019151069 /nfs/dbraw/zinc/15/10/69/1019151069.db2.gz WNMFRLHCTUFFQV-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM Cc1ccc(NCc2cnc(-c3ccccn3)s2)cc1C(=O)[O-] ZINC000340674942 1019154763 /nfs/dbraw/zinc/15/47/63/1019154763.db2.gz YMTVIDDZPPIKCK-UHFFFAOYSA-N -1 0 325.393 3.824 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)N(C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000683921249 1019243071 /nfs/dbraw/zinc/24/30/71/1019243071.db2.gz PTRHYHTTXSRKJX-MRXNPFEDSA-N -1 0 346.814 3.808 20 0 EHADRM Cc1ccc(NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)s1 ZINC000683921831 1019248241 /nfs/dbraw/zinc/24/82/41/1019248241.db2.gz DFQQNOUXCAKYQE-KBPBESRZSA-N -1 0 330.409 3.879 20 0 EHADRM CC(C)COc1cccc(NC(=O)N2CCCCC[C@H]2C(=O)[O-])c1 ZINC000683922699 1019255344 /nfs/dbraw/zinc/25/53/44/1019255344.db2.gz UNHBPIDCXMEDCB-INIZCTEOSA-N -1 0 334.416 3.583 20 0 EHADRM CSc1cncc(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)c1 ZINC001211072613 1019372611 /nfs/dbraw/zinc/37/26/11/1019372611.db2.gz PBPGNWFNEYABFH-UHFFFAOYSA-N -1 0 346.433 3.947 20 0 EHADRM COc1cccc(OC)c1S(=O)(=O)[N-]c1ccc(C(C)(C)C)cc1 ZINC000148691590 1019448181 /nfs/dbraw/zinc/44/81/81/1019448181.db2.gz XABDLXLCDIQNHV-UHFFFAOYSA-N -1 0 349.452 3.802 20 0 EHADRM Cc1cc(C(=O)N(CCC(=O)[O-])C2CC2)sc1-c1ccccc1 ZINC000656233748 1019481287 /nfs/dbraw/zinc/48/12/87/1019481287.db2.gz ITFHRUFLBLLUSA-UHFFFAOYSA-N -1 0 329.421 3.803 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)NC[C@H](C)c1c(Cl)cccc1Cl ZINC000656233546 1019481352 /nfs/dbraw/zinc/48/13/52/1019481352.db2.gz DOLWZBPDMMMJIK-ZJUUUORDSA-N -1 0 332.227 3.714 20 0 EHADRM COc1cc(NC(=O)CCc2ccc([C@@H]3C[C@@H]3C)o2)ccc1C(=O)[O-] ZINC000327711181 1019491329 /nfs/dbraw/zinc/49/13/29/1019491329.db2.gz BUIUDLWQZGYWBF-XHDPSFHLSA-N -1 0 343.379 3.681 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)NCCCCC(=O)[O-] ZINC000262022691 1019516845 /nfs/dbraw/zinc/51/68/45/1019516845.db2.gz APEIHNFVWYQDBS-UHFFFAOYSA-N -1 0 325.364 3.879 20 0 EHADRM C[C@]1(NC(=O)c2ccc(C(F)F)cc2F)CCCC[C@H]1C(=O)[O-] ZINC000656238719 1019522555 /nfs/dbraw/zinc/52/25/55/1019522555.db2.gz RXJPDBUTMIQCBH-ZBEGNZNMSA-N -1 0 329.318 3.527 20 0 EHADRM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)CCC1CCCCCC1 ZINC000656238302 1019525713 /nfs/dbraw/zinc/52/57/13/1019525713.db2.gz LQCNYCHOJVEAGS-UHFFFAOYSA-N -1 0 347.455 3.859 20 0 EHADRM C[C@@H](C(=O)NCCCCCCCC(=O)[O-])c1cccc(Cl)c1 ZINC000262165747 1019552891 /nfs/dbraw/zinc/55/28/91/1019552891.db2.gz PUVKYGNBSSALBB-CYBMUJFWSA-N -1 0 325.836 3.985 20 0 EHADRM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1C ZINC000071415369 1019618764 /nfs/dbraw/zinc/61/87/64/1019618764.db2.gz UUASPZUOFROSAS-UHFFFAOYSA-N -1 0 345.829 3.517 20 0 EHADRM COC1CCC(N(C)C(=O)c2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000932923054 1019627727 /nfs/dbraw/zinc/62/77/27/1019627727.db2.gz SPTQRBONEIVCKL-UHFFFAOYSA-N -1 0 332.227 3.729 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2sccc2Cl)CC1 ZINC000408491395 1019636311 /nfs/dbraw/zinc/63/63/11/1019636311.db2.gz AKRGREKFGWGFBE-XYPYZODXSA-N -1 0 349.905 3.669 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1cc(C(C)(C)C)ccc1O ZINC000433803653 1019647059 /nfs/dbraw/zinc/64/70/59/1019647059.db2.gz DNWDDBVDRZICPY-UHFFFAOYSA-N -1 0 325.455 3.860 20 0 EHADRM Cc1c(CNC(=O)C[C@@H](C)CC(=O)[O-])sc2ccc(Cl)cc12 ZINC000580570751 1019663347 /nfs/dbraw/zinc/66/33/47/1019663347.db2.gz KVLAGDYLTUOSPZ-SECBINFHSA-N -1 0 339.844 3.980 20 0 EHADRM Cc1c(C(=O)NCCCCCCC(=O)[O-])cccc1-c1ccccn1 ZINC000262795644 1019733441 /nfs/dbraw/zinc/73/34/41/1019733441.db2.gz QMXKHQWGKZACEG-UHFFFAOYSA-N -1 0 340.423 3.822 20 0 EHADRM CC[C@H](CC(=O)N1CC[C@](C(=O)[O-])(C(C)C)C1)c1ccc(OC)cc1 ZINC000262878978 1019754481 /nfs/dbraw/zinc/75/44/81/1019754481.db2.gz GQVARYBDMGVAKQ-FOIQADDNSA-N -1 0 347.455 3.538 20 0 EHADRM CC(C)(CCNC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000262878901 1019754517 /nfs/dbraw/zinc/75/45/17/1019754517.db2.gz CALNYJRPALFULE-GHMZBOCLSA-N -1 0 344.238 3.714 20 0 EHADRM COc1ccc(C2(C(=O)NCCCCCCC(=O)[O-])CCCC2)cc1 ZINC000262908782 1019762590 /nfs/dbraw/zinc/76/25/90/1019762590.db2.gz CJNFQIXJFGHBLM-UHFFFAOYSA-N -1 0 347.455 3.658 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cnc(Cl)c(C)c2)c(Cl)cc1F ZINC000760319417 1032852474 /nfs/dbraw/zinc/85/24/74/1032852474.db2.gz YIDUIJRIDOVROT-UHFFFAOYSA-N -1 0 349.214 3.945 20 0 EHADRM Cc1oc(-c2ccccc2)c(C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)c1C ZINC000263529454 1019925744 /nfs/dbraw/zinc/92/57/44/1019925744.db2.gz LRNCUIGKESRFRG-WBMJQRKESA-N -1 0 341.407 3.746 20 0 EHADRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000057123461 1032887789 /nfs/dbraw/zinc/88/77/89/1032887789.db2.gz NDUMYHJJYAEORZ-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CCOc1c(OC)cc(C(=O)[O-])cc1-c1ccc(OC)c(COC)c1 ZINC000580962088 1020308783 /nfs/dbraw/zinc/30/87/83/1020308783.db2.gz AATBIRWCJIVHHM-UHFFFAOYSA-N -1 0 346.379 3.614 20 0 EHADRM C[C@@H]1CCC[C@@H](N(C)C(=O)N=c2[n-]nc(-c3ccccc3)s2)C1 ZINC000548154900 1020495465 /nfs/dbraw/zinc/49/54/65/1020495465.db2.gz QKZVUTKAXOVUMT-TZMCWYRMSA-N -1 0 330.457 3.669 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccc(F)c3)on2)cc1 ZINC000581198160 1020516140 /nfs/dbraw/zinc/51/61/40/1020516140.db2.gz MNLXUQDZDFHISW-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM Cc1cccc2cc(C(=O)N[C@@H](CC(=O)[O-])c3ccccc3C)oc21 ZINC000345879744 1020570464 /nfs/dbraw/zinc/57/04/64/1020570464.db2.gz FFQHYWIDZBLMKE-INIZCTEOSA-N -1 0 337.375 3.995 20 0 EHADRM Cc1cc(C(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])c(C)n1C1CC1 ZINC000345893384 1020593087 /nfs/dbraw/zinc/59/30/87/1020593087.db2.gz VYQOOEALOFYBIB-NVXWUHKLSA-N -1 0 332.444 3.593 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1csc(C(C)(C)C)n1 ZINC000345902561 1020600305 /nfs/dbraw/zinc/60/03/05/1020600305.db2.gz ILFZAPJGUCMPAM-ZDUSSCGKSA-N -1 0 346.452 3.695 20 0 EHADRM COC(=O)c1cc(Nc2ccc(Cl)c(C(=O)[O-])c2F)cs1 ZINC001215695122 1020676802 /nfs/dbraw/zinc/67/68/02/1020676802.db2.gz CEPCLXSPHLOJGO-UHFFFAOYSA-N -1 0 329.736 3.769 20 0 EHADRM COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)Nc2cccc(C)c2C)c1 ZINC000656475695 1020695635 /nfs/dbraw/zinc/69/56/35/1020695635.db2.gz YWSVPZIQYHEGEO-KRWDZBQOSA-N -1 0 342.395 3.602 20 0 EHADRM O=C(C[C@]1(C(=O)[O-])CCOC1)Nc1ccc(SC2CCCC2)cc1 ZINC000656482043 1020701263 /nfs/dbraw/zinc/70/12/63/1020701263.db2.gz UYXPPCVKNSMRLT-GOSISDBHSA-N -1 0 349.452 3.541 20 0 EHADRM CC(C)(C)CCOc1cnccc1CN=c1nc(C2CC2)[n-]s1 ZINC000340973445 1020720732 /nfs/dbraw/zinc/72/07/32/1020720732.db2.gz QHJXXTMYJXJILH-UHFFFAOYSA-N -1 0 332.473 3.660 20 0 EHADRM C[C@H](c1cc2ccccc2o1)N(C)C(=O)N=c1cc2ccccn2[nH]1 ZINC000558464661 1020750031 /nfs/dbraw/zinc/75/00/31/1020750031.db2.gz OBVLSGPLHMAROG-CYBMUJFWSA-N -1 0 334.379 3.727 20 0 EHADRM O=C([O-])[C@@H](CC(F)(F)F)NC(=O)Nc1ccc2c(c1)C=CCCC2 ZINC000656506183 1020765710 /nfs/dbraw/zinc/76/57/10/1020765710.db2.gz KPOFZVHXQAALSU-CYBMUJFWSA-N -1 0 342.317 3.563 20 0 EHADRM Cc1cc(Cl)cc([N-]S(=O)(=O)c2cccc(C)c2F)c1O ZINC000313219588 1020800419 /nfs/dbraw/zinc/80/04/19/1020800419.db2.gz MHUDRWVAFUUPOM-UHFFFAOYSA-N -1 0 329.780 3.602 20 0 EHADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C)c1F ZINC000313241228 1020852925 /nfs/dbraw/zinc/85/29/25/1020852925.db2.gz VZATXPIDFKFNGM-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM Cc1c(Br)cccc1[N-]S(=O)(=O)c1ccccc1F ZINC000171013036 1032949362 /nfs/dbraw/zinc/94/93/62/1032949362.db2.gz GCJYKKDWHMPJRY-UHFFFAOYSA-N -1 0 344.205 3.697 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)N=c1[n-]ncs1)c1ccc(Cl)cc1 ZINC000341161151 1021032393 /nfs/dbraw/zinc/03/23/93/1021032393.db2.gz CQECGUCUUQMVJJ-GFCCVEGCSA-N -1 0 338.864 3.912 20 0 EHADRM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2cc(F)ccc2O)c1 ZINC000656624962 1021056239 /nfs/dbraw/zinc/05/62/39/1021056239.db2.gz YCCMFRVTWSSSAO-LLVKDONJSA-N -1 0 339.388 3.509 20 0 EHADRM CCC[C@H]1CCC[C@H]1C(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1 ZINC000581560023 1021088842 /nfs/dbraw/zinc/08/88/42/1021088842.db2.gz SELXYOFCZUYOLK-RANZSIQMSA-N -1 0 329.440 3.530 20 0 EHADRM O=C(Nc1cccc(-n2ccnc2)c1)c1cc(F)cc(Cl)c1[O-] ZINC000436775299 1021205015 /nfs/dbraw/zinc/20/50/15/1021205015.db2.gz POQKIGGNMFJBHZ-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM COc1cc(Cl)c(NC(=O)c2cc(F)c([O-])c(F)c2)cc1C ZINC000436778434 1021209745 /nfs/dbraw/zinc/20/97/45/1021209745.db2.gz GWWQVZROGUITLF-UHFFFAOYSA-N -1 0 327.714 3.893 20 0 EHADRM CC(C)c1ccc(O[C@@H](C)CNC(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000436769516 1021220381 /nfs/dbraw/zinc/22/03/81/1021220381.db2.gz JZKAHPMQZSMPSY-LBPRGKRZSA-N -1 0 349.377 3.991 20 0 EHADRM C[C@]1(CNC(=O)c2c([O-])cc(Cl)cc2Cl)CCO[C@H]1C1CC1 ZINC000436818769 1021246166 /nfs/dbraw/zinc/24/61/66/1021246166.db2.gz WAWMWJGBEWBKOU-GOEBONIOSA-N -1 0 344.238 3.634 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(F)c(F)c1[O-] ZINC001625988457 1032967787 /nfs/dbraw/zinc/96/77/87/1032967787.db2.gz XMKVFGIFWLLHFU-SUNKGSAMSA-N -1 0 327.371 3.983 20 0 EHADRM Cc1cccc(COc2cccc(CC(=O)Nc3ncccc3O)c2)c1 ZINC000518509319 1021258708 /nfs/dbraw/zinc/25/87/08/1021258708.db2.gz VYJCLBHMZUNDDC-UHFFFAOYSA-N -1 0 348.402 3.856 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(C)n(C3CC3)c2C)c1 ZINC000436834885 1021268795 /nfs/dbraw/zinc/26/87/95/1021268795.db2.gz RWAKTHZSNPKNAI-UHFFFAOYSA-N -1 0 326.396 3.990 20 0 EHADRM O=C(c1ccc(F)cc1[O-])N1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000436824090 1021276491 /nfs/dbraw/zinc/27/64/91/1021276491.db2.gz YNXODSKQGDXOPG-UHFFFAOYSA-N -1 0 349.352 3.904 20 0 EHADRM Cc1cc(CN2C[C@H](c3cccc(F)c3)OCC2(C)C)oc1C(=O)[O-] ZINC000656765399 1021294777 /nfs/dbraw/zinc/29/47/77/1021294777.db2.gz LAKFZOFRKJWNEH-MRXNPFEDSA-N -1 0 347.386 3.777 20 0 EHADRM CSC[C@H]1CCCN(C(=O)c2c([O-])cc(Cl)cc2Cl)C1 ZINC000436852329 1021296429 /nfs/dbraw/zinc/29/64/29/1021296429.db2.gz IBDKFOJSOUNVJJ-VIFPVBQESA-N -1 0 334.268 3.914 20 0 EHADRM CN(C(=O)c1cc(Br)cc(Cl)c1[O-])[C@H]1CC1(C)C ZINC000436857537 1021321447 /nfs/dbraw/zinc/32/14/47/1021321447.db2.gz CTUBTJYRDBNSAG-JTQLQIEISA-N -1 0 332.625 3.679 20 0 EHADRM COc1cc(C)c(NC(=O)c2cc(F)c([O-])c(Cl)c2)cc1OC ZINC000436882571 1021332194 /nfs/dbraw/zinc/33/21/94/1021332194.db2.gz STBFOLFALMPHJY-UHFFFAOYSA-N -1 0 339.750 3.763 20 0 EHADRM [O-]c1cc(Cl)ccc1-c1nc(-c2ccc(N3CCCC3)nc2)no1 ZINC000436907328 1021351756 /nfs/dbraw/zinc/35/17/56/1021351756.db2.gz SGCOTAPIUOORAN-UHFFFAOYSA-N -1 0 342.786 3.758 20 0 EHADRM COc1ccccc1C1(CNC(=O)c2ccc([O-])c(Cl)c2)CC1 ZINC000436904532 1021351864 /nfs/dbraw/zinc/35/18/64/1021351864.db2.gz LPJBUITUEACXHB-UHFFFAOYSA-N -1 0 331.799 3.516 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1ccc(-c2nccs2)cc1 ZINC000096743691 1032973172 /nfs/dbraw/zinc/97/31/72/1032973172.db2.gz JPASYRLTSRHRDC-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1cc(F)c([O-])c(F)c1 ZINC000436924737 1021384630 /nfs/dbraw/zinc/38/46/30/1021384630.db2.gz DXJVUMWBFXGXHH-MJHDQNEOSA-N -1 0 337.753 4.000 20 0 EHADRM CC(C)(C)CC[C@@H](CO)NC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000436926874 1021387268 /nfs/dbraw/zinc/38/72/68/1021387268.db2.gz LUEOPEWIMJEWAU-JTQLQIEISA-N -1 0 334.243 3.616 20 0 EHADRM CN(C)c1ccc(-c2noc(-c3ccc(Cl)cc3[O-])n2)cc1F ZINC000436938227 1021399909 /nfs/dbraw/zinc/39/99/09/1021399909.db2.gz IOYYZCCNNFRASU-UHFFFAOYSA-N -1 0 333.750 3.968 20 0 EHADRM [O-]c1cc(Cl)ccc1-c1nc(-c2cccc(-n3ccnc3)c2)no1 ZINC000436939704 1021400971 /nfs/dbraw/zinc/40/09/71/1021400971.db2.gz PZTWIDVYFLOJFN-UHFFFAOYSA-N -1 0 338.754 3.948 20 0 EHADRM CCc1cnccc1CNC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000436948833 1021409815 /nfs/dbraw/zinc/40/98/15/1021409815.db2.gz ICGCKZWOTOQCCM-UHFFFAOYSA-N -1 0 325.195 3.586 20 0 EHADRM O=C(NCCOc1ccccc1Cl)c1cc(F)c([O-])c(Cl)c1 ZINC000436967720 1021413935 /nfs/dbraw/zinc/41/39/35/1021413935.db2.gz RMDPYZCXYOGFTN-UHFFFAOYSA-N -1 0 344.169 3.647 20 0 EHADRM CC(C)(C)[C@@H]1C[C@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)CCO1 ZINC000436981349 1021436509 /nfs/dbraw/zinc/43/65/09/1021436509.db2.gz QZLZLUUPFNAUTH-MFKMUULPSA-N -1 0 329.799 3.508 20 0 EHADRM Cc1c(CNC(=O)c2nn(-c3ccccc3)cc2[O-])oc2ccccc12 ZINC000439441597 1021441366 /nfs/dbraw/zinc/44/13/66/1021441366.db2.gz SKZHBZSHJAUUFH-UHFFFAOYSA-N -1 0 347.374 3.563 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)C1(c2cccs2)CCCCC1 ZINC000659236445 1021448138 /nfs/dbraw/zinc/44/81/38/1021448138.db2.gz GEEQKUCJTFRJRZ-SUMWQHHRSA-N -1 0 335.469 3.710 20 0 EHADRM C[C@H](Oc1cccc(-c2ccccc2OC[C@@H]2CCOC2)c1)C(=O)[O-] ZINC000581677653 1021449689 /nfs/dbraw/zinc/44/96/89/1021449689.db2.gz IIKQXMWUTJEHQK-LSDHHAIUSA-N -1 0 342.391 3.621 20 0 EHADRM CC(C)OC(=O)CC[C@@H](C)NC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000437000456 1021471314 /nfs/dbraw/zinc/47/13/14/1021471314.db2.gz MHAGREIQGMHWEJ-SECBINFHSA-N -1 0 348.226 3.549 20 0 EHADRM CC(C)N(C(=O)c1cc(-c2ccc(C=O)o2)ccc1O)C1CCC1 ZINC000933372443 1021494984 /nfs/dbraw/zinc/49/49/84/1021494984.db2.gz VSROUMHNRJEKFH-UHFFFAOYSA-N -1 0 327.380 3.868 20 0 EHADRM CC(C)C[C@H](C(=O)Nc1n[nH]c(C(F)(F)F)n1)c1ccccc1 ZINC000607108683 1032988508 /nfs/dbraw/zinc/98/85/08/1032988508.db2.gz SEKUYBXJCNHHSG-NSHDSACASA-N -1 0 326.322 3.592 20 0 EHADRM CCn1cnc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2C(C)C)c1 ZINC000439567617 1021563023 /nfs/dbraw/zinc/56/30/23/1021563023.db2.gz FOBAKXUBLVBAIY-UHFFFAOYSA-N -1 0 335.473 3.951 20 0 EHADRM CCC[C@@H]1CCC[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1cccc(OC)c1 ZINC000518797131 1021578693 /nfs/dbraw/zinc/57/86/93/1021578693.db2.gz KQQUJZWMEJTBHR-XYPHTWIQSA-N -1 0 333.428 3.544 20 0 EHADRM COc1cccc(NC(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1 ZINC000519680324 1021606306 /nfs/dbraw/zinc/60/63/06/1021606306.db2.gz GKFVGUPVHUPHQT-PBHICJAKSA-N -1 0 346.427 3.583 20 0 EHADRM CC(C)Cc1nnc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)s1 ZINC000437184552 1021628520 /nfs/dbraw/zinc/62/85/20/1021628520.db2.gz NHZWSOKBGWUNEM-UHFFFAOYSA-N -1 0 339.486 3.661 20 0 EHADRM C[C@H](NC(=O)N=c1[n-]nc(-c2ccccc2)s1)C1CCCCC1 ZINC000440590281 1021630078 /nfs/dbraw/zinc/63/00/78/1021630078.db2.gz XMLPJUARFLFORM-LBPRGKRZSA-N -1 0 330.457 3.717 20 0 EHADRM C[C@@]1(Cc2ccccc2)CCCN1C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000516653731 1021631006 /nfs/dbraw/zinc/63/10/06/1021631006.db2.gz SKBGGEDKUHMGRA-IAYYMHMVSA-N -1 0 343.467 3.891 20 0 EHADRM CCCn1ccc2ccc(NC(=O)N(C)C3(C(=O)[O-])CCCC3)cc21 ZINC000516705343 1021672920 /nfs/dbraw/zinc/67/29/20/1021672920.db2.gz RMVMMSWEMGSCGL-UHFFFAOYSA-N -1 0 343.427 3.912 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)c2ccc3ccc(Cl)cc3n2)s1 ZINC000437282566 1021708522 /nfs/dbraw/zinc/70/85/22/1021708522.db2.gz CLULYHHQKJYVJG-UHFFFAOYSA-N -1 0 346.843 3.757 20 0 EHADRM CC[C@H](C)n1ncc2c1nc(/C=C\c1c(C)n[nH]c1C)cc2C(=O)[O-] ZINC000519824419 1021717035 /nfs/dbraw/zinc/71/70/35/1021717035.db2.gz OIELBRNATOPKMR-GFVADAIESA-N -1 0 339.399 3.611 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)c2cc(C(F)(F)F)ccc2F)s[n-]1 ZINC000471696270 1021737781 /nfs/dbraw/zinc/73/77/81/1021737781.db2.gz FHVQKRCUFAOLMU-UHFFFAOYSA-N -1 0 347.337 3.668 20 0 EHADRM COCc1cccc([N-]S(=O)(=O)c2csc3ccccc32)c1 ZINC000506689971 1021738049 /nfs/dbraw/zinc/73/80/49/1021738049.db2.gz PCMSQFCMOQWZPA-UHFFFAOYSA-N -1 0 333.434 3.849 20 0 EHADRM O=S(=O)([N-]c1ccc2ncsc2c1)c1cc(Cl)ccc1F ZINC000519009093 1021764810 /nfs/dbraw/zinc/76/48/10/1021764810.db2.gz UJWBGRUWBWRHNO-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM O=C([O-])CCCCNC(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000669500408 1033002511 /nfs/dbraw/zinc/00/25/11/1033002511.db2.gz JZDAUNXGESZFNX-UHFFFAOYSA-N -1 0 338.379 3.524 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccnc2OC)cc1 ZINC000467082387 1021780537 /nfs/dbraw/zinc/78/05/37/1021780537.db2.gz SOLWYKYRMURVIO-UHFFFAOYSA-N -1 0 334.441 3.579 20 0 EHADRM Cc1ccc(C2CC2)c(C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000581813351 1021781336 /nfs/dbraw/zinc/78/13/36/1021781336.db2.gz ADBSSVKDZWSHHA-SFHVURJKSA-N -1 0 341.382 3.610 20 0 EHADRM CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1sccc1C ZINC000437394955 1021791611 /nfs/dbraw/zinc/79/16/11/1021791611.db2.gz JJLRDCDMHQMPJZ-UHFFFAOYSA-N -1 0 335.454 3.617 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccnn1[C@@H](C)CC(C)C ZINC000437410180 1021805022 /nfs/dbraw/zinc/80/50/22/1021805022.db2.gz KXIVSXQHKFDBJB-LBPRGKRZSA-N -1 0 327.475 3.661 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2cnn(CCC(C)C)c2C)cc1 ZINC000440828223 1021805779 /nfs/dbraw/zinc/80/57/79/1021805779.db2.gz BFQOBXWLSKVLRT-UHFFFAOYSA-N -1 0 349.500 3.991 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)NCc1ccc(Cl)cc1 ZINC000467391120 1021811905 /nfs/dbraw/zinc/81/19/05/1021811905.db2.gz QYOYFRDBDKAPAG-UHFFFAOYSA-N -1 0 338.798 3.541 20 0 EHADRM Cc1ccc([C@H](CNC(=O)c2ccc(C(C)C)s2)C(=O)[O-])cc1 ZINC000439943215 1021837512 /nfs/dbraw/zinc/83/75/12/1021837512.db2.gz QDBSMNILOUMSBD-AWEZNQCLSA-N -1 0 331.437 3.778 20 0 EHADRM CC[C@@H](c1ccc(Cl)cc1Cl)N1CCO[C@H](CC(=O)[O-])C1 ZINC000516932270 1021867618 /nfs/dbraw/zinc/86/76/18/1021867618.db2.gz HXRQMDZVIYMUME-RISCZKNCSA-N -1 0 332.227 3.620 20 0 EHADRM COc1ccc2c(c1)CCN(Cc1ccc(C(=O)[O-])c(Cl)c1)C2 ZINC000516937795 1021872293 /nfs/dbraw/zinc/87/22/93/1021872293.db2.gz DVNBQPSNGQBWQN-UHFFFAOYSA-N -1 0 331.799 3.605 20 0 EHADRM O=C([O-])[C@H]1CCCN1C(=O)Nc1ccc(-c2cccc(F)c2)c(F)c1 ZINC000516948295 1021882788 /nfs/dbraw/zinc/88/27/88/1021882788.db2.gz PKTRBOBNWRECEX-MRXNPFEDSA-N -1 0 346.333 3.713 20 0 EHADRM Cn1cc(/C=C\c2nc3ccc(C(=O)[O-])cc3o2)c(C(C)(C)C)n1 ZINC000416392921 1021934484 /nfs/dbraw/zinc/93/44/84/1021934484.db2.gz TXENJZLSEQTJGU-VURMDHGXSA-N -1 0 325.368 3.727 20 0 EHADRM CCc1nocc1CSc1n[n-]c(=Nc2cccc(C)c2)s1 ZINC000581862612 1021935484 /nfs/dbraw/zinc/93/54/84/1021935484.db2.gz LHYALKKJKMBMNV-UHFFFAOYSA-N -1 0 332.454 3.855 20 0 EHADRM O=S(=O)([N-]c1ccc(C2CCC2)cn1)c1cnc2ccsc2c1 ZINC000519311743 1022003226 /nfs/dbraw/zinc/00/32/26/1022003226.db2.gz QDNPGQNLZAUIDE-UHFFFAOYSA-N -1 0 345.449 3.760 20 0 EHADRM FC(F)(F)COCc1ccc(CN=c2nc(C3CC3)[n-]s2)cc1 ZINC000426599416 1022017873 /nfs/dbraw/zinc/01/78/73/1022017873.db2.gz WYBIYQAMXKVJEC-UHFFFAOYSA-N -1 0 343.374 3.528 20 0 EHADRM Cc1ccc(-c2[n-][nH]c(=NC(=O)[C@@H]3[C@H](C)[C@H]3c3ccccc3)c2C)o1 ZINC000437668046 1022040225 /nfs/dbraw/zinc/04/02/25/1022040225.db2.gz RMVXMKSZHPMNLF-OAUYIBNBSA-N -1 0 335.407 3.697 20 0 EHADRM Cc1ccc(F)cc1[N-]S(=O)(=O)c1cccc2c(C)ccnc21 ZINC000548283175 1022063842 /nfs/dbraw/zinc/06/38/42/1022063842.db2.gz HVZGQGBTEJMSSR-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000440294762 1022073457 /nfs/dbraw/zinc/07/34/57/1022073457.db2.gz VWBNOIWHOVTKDP-UHFFFAOYSA-N -1 0 325.380 3.945 20 0 EHADRM Cc1c2ccccc2nc(N2CCC(OC3CCC3)CC2)c1C(=O)[O-] ZINC000517151824 1022075625 /nfs/dbraw/zinc/07/56/25/1022075625.db2.gz IKNBGVIVRHGCEI-UHFFFAOYSA-N -1 0 340.423 3.779 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000440416450 1022174025 /nfs/dbraw/zinc/17/40/25/1022174025.db2.gz WESNMQQXNSECLX-UHFFFAOYSA-N -1 0 343.308 3.837 20 0 EHADRM O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)c1c([O-])cc(F)cc1F ZINC000607191222 1033034946 /nfs/dbraw/zinc/03/49/46/1033034946.db2.gz ZJOSIEYRBMCLEH-QPUJVOFHSA-N -1 0 341.716 3.749 20 0 EHADRM CCn1ncc2ccc([N-]S(=O)(=O)c3ccccc3SC)cc21 ZINC000188402648 1022223131 /nfs/dbraw/zinc/22/31/31/1022223131.db2.gz GSBGDQFFWHMCFW-UHFFFAOYSA-N -1 0 347.465 3.579 20 0 EHADRM C[C@H](c1ccccc1)[C@H](C)NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000473629444 1022279422 /nfs/dbraw/zinc/27/94/22/1022279422.db2.gz ZKJDRQYFKCITMX-QYWGDWMGSA-N -1 0 339.435 3.727 20 0 EHADRM CC(C)[C@H](C)N(C)C(=O)N=c1[n-]nc(C(C)(C)c2ccccc2)s1 ZINC000517373343 1022292087 /nfs/dbraw/zinc/29/20/87/1022292087.db2.gz OUTKMPKMNPOFOV-ZDUSSCGKSA-N -1 0 346.500 3.794 20 0 EHADRM O=S(=O)(Nc1cccc2ccccc21)c1cccc(Cl)c1[O-] ZINC000559250271 1022353623 /nfs/dbraw/zinc/35/36/23/1022353623.db2.gz MTPZBFHPHNYDIK-UHFFFAOYSA-N -1 0 333.796 4.000 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655574479 1022383618 /nfs/dbraw/zinc/38/36/18/1022383618.db2.gz AKAPRXNIOBGCQU-MHKQFDIHSA-N -1 0 335.488 3.845 20 0 EHADRM C[C@H](CCNC(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000581922126 1022399644 /nfs/dbraw/zinc/39/96/44/1022399644.db2.gz LHWMNSAENLXENW-CRAIPNDOSA-N -1 0 340.423 3.648 20 0 EHADRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)sc1C ZINC000048499552 1022421806 /nfs/dbraw/zinc/42/18/06/1022421806.db2.gz OVNQJVSGHWKOJO-UHFFFAOYSA-N -1 0 329.830 3.712 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cnc(C(C)(C)C)nc2)c1 ZINC000124172465 1022436794 /nfs/dbraw/zinc/43/67/94/1022436794.db2.gz ITAPWQCFWFAQOB-UHFFFAOYSA-N -1 0 339.848 3.537 20 0 EHADRM Cc1nc(CNCc2ccc(-c3ccccc3F)o2)ccc1C(=O)[O-] ZINC000426660334 1022480636 /nfs/dbraw/zinc/48/06/36/1022480636.db2.gz NOFULZZGQUDBDZ-UHFFFAOYSA-N -1 0 340.354 3.777 20 0 EHADRM Cc1nc(CNCc2cnc(-c3ccccc3)s2)ccc1C(=O)[O-] ZINC000426661858 1022481396 /nfs/dbraw/zinc/48/13/96/1022481396.db2.gz VQMPBNNEEHTFPD-UHFFFAOYSA-N -1 0 339.420 3.502 20 0 EHADRM Cc1nc(C(=O)N2CCC[C@H](C3CCCCC3)C2)ccc1C(=O)[O-] ZINC000659232793 1022494709 /nfs/dbraw/zinc/49/47/09/1022494709.db2.gz GAQJSVXTMVQNEO-HNNXBMFYSA-N -1 0 330.428 3.521 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1OC(C)C ZINC000669505058 1033062775 /nfs/dbraw/zinc/06/27/75/1033062775.db2.gz VDRFDPHJYUYXBC-CQSZACIVSA-N -1 0 334.416 3.501 20 0 EHADRM O=C([O-])[C@@H](CCCc1ccccc1)NCc1nc2c(s1)CCCC2 ZINC000669471864 1022609981 /nfs/dbraw/zinc/60/99/81/1022609981.db2.gz YSJQAWMCNPGOKK-MRXNPFEDSA-N -1 0 344.480 3.588 20 0 EHADRM CCCN(CCC)C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000303917055 1022623982 /nfs/dbraw/zinc/62/39/82/1022623982.db2.gz NXRXUXBOGBWDRA-UHFFFAOYSA-N -1 0 329.444 3.964 20 0 EHADRM Cc1ccccc1[C@@H]1CN(Cc2c(Cl)cccc2C(=O)[O-])CCO1 ZINC000517751005 1022624726 /nfs/dbraw/zinc/62/47/26/1022624726.db2.gz ZOXCAKLHPUUTEJ-SFHVURJKSA-N -1 0 345.826 3.920 20 0 EHADRM CCC[C@H]1CCc2nc([N-]S(=O)(=O)c3ccsc3)sc2C1 ZINC000506852175 1022629732 /nfs/dbraw/zinc/62/97/32/1022629732.db2.gz UHAPFSILTWGVEO-JTQLQIEISA-N -1 0 342.511 3.910 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3c2)c(Cl)c1 ZINC000519562667 1022631120 /nfs/dbraw/zinc/63/11/20/1022631120.db2.gz UYAUIRGIMSEFJA-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM COc1ccc(Cl)cc1CN(C)C(=O)c1c([O-])cc(F)cc1F ZINC000127353531 1022717953 /nfs/dbraw/zinc/71/79/53/1022717953.db2.gz MRIZKLSFYLCPPY-UHFFFAOYSA-N -1 0 341.741 3.605 20 0 EHADRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(Cl)s2)c1C ZINC000331118198 1022749504 /nfs/dbraw/zinc/74/95/04/1022749504.db2.gz WLXAFHWRSRHLCT-MRVPVSSYSA-N -1 0 333.866 3.678 20 0 EHADRM Cc1nc(C)c([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)s1 ZINC000331258770 1022782125 /nfs/dbraw/zinc/78/21/25/1022782125.db2.gz GFSWCUHMYWAILH-UHFFFAOYSA-N -1 0 330.500 3.920 20 0 EHADRM Cc1c(C(F)(F)F)[n-][nH]c1=NC(=O)[C@@H](C)CCc1ccccc1F ZINC000608120786 1022796708 /nfs/dbraw/zinc/79/67/08/1022796708.db2.gz VTVYOUTXXVACLY-VIFPVBQESA-N -1 0 343.324 3.505 20 0 EHADRM CCc1ccc(O)c([N-]S(=O)(=O)c2cccc(C(F)F)c2)c1 ZINC000780395736 1033083708 /nfs/dbraw/zinc/08/37/08/1033083708.db2.gz KLOPWJFBMIGJGR-UHFFFAOYSA-N -1 0 327.352 3.693 20 0 EHADRM CC(C)[C@@H](CC(F)(F)F)NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000438622323 1022870035 /nfs/dbraw/zinc/87/00/35/1022870035.db2.gz KPGPFOIXKBLNQQ-MRVPVSSYSA-N -1 0 329.240 3.516 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3ccccc3n2)c(C)c1 ZINC000517944617 1022870095 /nfs/dbraw/zinc/87/00/95/1022870095.db2.gz VSJUDVBNZDOZLS-UHFFFAOYSA-N -1 0 326.421 3.961 20 0 EHADRM O=S(=O)([N-]c1cc(F)c(F)c(F)c1)c1cccc(Cl)c1F ZINC000607331407 1033089937 /nfs/dbraw/zinc/08/99/37/1033089937.db2.gz FJABGTBTVGFXCY-UHFFFAOYSA-N -1 0 339.697 3.697 20 0 EHADRM Cc1ccc(-c2ncc(CNCc3nc(C(=O)[O-])cs3)s2)cc1 ZINC000426675366 1022964772 /nfs/dbraw/zinc/96/47/72/1022964772.db2.gz RNLKYGYKRGSWQD-UHFFFAOYSA-N -1 0 345.449 3.563 20 0 EHADRM Cc1cccc([C@@H](NCc2cc(-c3ccccc3)n[nH]2)C(=O)[O-])c1C ZINC000426729487 1023000831 /nfs/dbraw/zinc/00/08/31/1023000831.db2.gz DCYVRTMGWVVWMH-LJQANCHMSA-N -1 0 335.407 3.609 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccccc1OCC(C)C ZINC000438803554 1023006524 /nfs/dbraw/zinc/00/65/24/1023006524.db2.gz UCSIESUXPQTRJK-UHFFFAOYSA-N -1 0 337.416 3.970 20 0 EHADRM COc1ccccc1[C@H](NCc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000426766217 1023015552 /nfs/dbraw/zinc/01/55/52/1023015552.db2.gz XXMUAYZUHFQIQN-HNNXBMFYSA-N -1 0 340.206 3.918 20 0 EHADRM Cc1cc(C)cc([C@H](NCc2cnc(CC(C)C)s2)C(=O)[O-])c1 ZINC000426758046 1023027900 /nfs/dbraw/zinc/02/79/00/1023027900.db2.gz GQOLZRHHOBRGKU-KRWDZBQOSA-N -1 0 332.469 3.874 20 0 EHADRM Cc1cc(C)cc([C@@H](NCc2cnc(CC(C)C)s2)C(=O)[O-])c1 ZINC000426758047 1023027925 /nfs/dbraw/zinc/02/79/25/1023027925.db2.gz GQOLZRHHOBRGKU-QGZVFWFLSA-N -1 0 332.469 3.874 20 0 EHADRM COc1ccccc1[C@@H](CC(C)C)N=c1nc([C@@H](C)OC)[n-]s1 ZINC000509551052 1023028482 /nfs/dbraw/zinc/02/84/82/1023028482.db2.gz CFUOERFUNUXEEO-TZMCWYRMSA-N -1 0 335.473 3.875 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)NCC[C@@H](C)CC(C)(C)C)cc2=O)cc1 ZINC000189473407 1023036493 /nfs/dbraw/zinc/03/64/93/1023036493.db2.gz IWIOAPRGDCGKKF-OAHLLOKOSA-N -1 0 343.471 3.666 20 0 EHADRM O=C([O-])[C@@H](NCc1cnc(-c2cccs2)s1)c1ccccc1F ZINC000426789514 1023049668 /nfs/dbraw/zinc/04/96/68/1023049668.db2.gz VMMSYFBBOMSPSQ-AWEZNQCLSA-N -1 0 348.424 3.926 20 0 EHADRM CCc1ccc([C@H](NCc2nn(CC)c3ccccc23)C(=O)[O-])cc1 ZINC000426815821 1023063707 /nfs/dbraw/zinc/06/37/07/1023063707.db2.gz HNIMIZPLJGRBQZ-IBGZPJMESA-N -1 0 337.423 3.534 20 0 EHADRM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2cccc(Cl)c2F)no1 ZINC000430983754 1023083831 /nfs/dbraw/zinc/08/38/31/1023083831.db2.gz IIMHYDBMSKVZPL-UHFFFAOYSA-N -1 0 346.811 3.707 20 0 EHADRM COc1cc(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)ccc1Cl ZINC000323101793 1023089235 /nfs/dbraw/zinc/08/92/35/1023089235.db2.gz MTPPXVZKPSUFLQ-NSHDSACASA-N -1 0 342.823 3.607 20 0 EHADRM CC(C)C[C@H](C)n1nccc1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000426889393 1023091615 /nfs/dbraw/zinc/09/16/15/1023091615.db2.gz FDGLUXRHRNHZQH-ZDUSSCGKSA-N -1 0 338.411 3.584 20 0 EHADRM Cc1ccc(S[C@H](C)C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000507059576 1023092727 /nfs/dbraw/zinc/09/27/27/1023092727.db2.gz LEJNVFLVVFAYOP-CQSZACIVSA-N -1 0 343.448 3.832 20 0 EHADRM CC(C)COc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000509591219 1023095717 /nfs/dbraw/zinc/09/57/17/1023095717.db2.gz OYUPWVDBHNYZJX-UHFFFAOYSA-N -1 0 341.379 3.800 20 0 EHADRM Clc1ccc2c(c1Cl)OC[C@@H]2N=c1nc(C2CC2)[n-]s1 ZINC000426899863 1023103595 /nfs/dbraw/zinc/10/35/95/1023103595.db2.gz ZOMIGNJELYJHMI-VIFPVBQESA-N -1 0 328.224 3.690 20 0 EHADRM CC1(C)CC[C@H](C(=O)Nc2cc(Br)cc(Cl)c2[O-])O1 ZINC000426995467 1023150387 /nfs/dbraw/zinc/15/03/87/1023150387.db2.gz QKHPNVVIVNWBKS-SNVBAGLBSA-N -1 0 348.624 3.704 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC[C@@H]2CC(C)C)n1 ZINC000438933870 1023152086 /nfs/dbraw/zinc/15/20/86/1023152086.db2.gz GKPNPSBKSXSIRV-MRXNPFEDSA-N -1 0 341.455 3.791 20 0 EHADRM O=C(c1cc(=O)c2ccccc2[n-]1)N(CC1CCC1)c1ccccc1 ZINC000438989771 1023196945 /nfs/dbraw/zinc/19/69/45/1023196945.db2.gz VJXUCAJXTYABPW-UHFFFAOYSA-N -1 0 332.403 3.975 20 0 EHADRM O=C(c1ncccc1O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000427069252 1023197971 /nfs/dbraw/zinc/19/79/71/1023197971.db2.gz ITVYFMVCWDJRLB-UHFFFAOYSA-N -1 0 328.387 3.901 20 0 EHADRM O=C([O-])c1sc2ccsc2c1CNC(=O)c1ccc(Cl)o1 ZINC000439036470 1023226158 /nfs/dbraw/zinc/22/61/58/1023226158.db2.gz XIIOWWCJFABNRR-UHFFFAOYSA-N -1 0 341.797 3.837 20 0 EHADRM O=C([O-])[C@H]1CC[C@H]1C(=O)Nc1ccccc1Nc1c(F)cccc1F ZINC000507311120 1023238711 /nfs/dbraw/zinc/23/87/11/1023238711.db2.gz YASVJFQBPMQHOH-MNOVXSKESA-N -1 0 346.333 3.758 20 0 EHADRM COCc1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)c1 ZINC000439051423 1023241857 /nfs/dbraw/zinc/24/18/57/1023241857.db2.gz QADHQHNXHHMFFX-UHFFFAOYSA-N -1 0 339.482 3.993 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2c(C)noc2C2CC2)sc1Cl ZINC000190344352 1023278111 /nfs/dbraw/zinc/27/81/11/1023278111.db2.gz KLACNYDYPMEWTM-UHFFFAOYSA-N -1 0 332.834 3.685 20 0 EHADRM CCOc1ccccc1[C@@H](CC(C)C)NC(=O)CCCCC(=O)[O-] ZINC000295676136 1023282773 /nfs/dbraw/zinc/28/27/73/1023282773.db2.gz KYOSZTDBWNNBBY-MRXNPFEDSA-N -1 0 335.444 3.934 20 0 EHADRM C[C@@H](C(=O)N=c1ccc(C2CC2)n[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000471928876 1023285723 /nfs/dbraw/zinc/28/57/23/1023285723.db2.gz SFQWKOOYFDIGRN-SECBINFHSA-N -1 0 336.222 3.825 20 0 EHADRM C[C@H](C(=O)N=c1ccc(C2CC2)n[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000471928877 1023286061 /nfs/dbraw/zinc/28/60/61/1023286061.db2.gz SFQWKOOYFDIGRN-VIFPVBQESA-N -1 0 336.222 3.825 20 0 EHADRM CCc1cc(C)cc(CC)c1NC(=O)C[C@]1(C(=O)[O-])CCSC1 ZINC000684558814 1023328412 /nfs/dbraw/zinc/32/84/12/1023328412.db2.gz OACUAKOVVFRFPC-GOSISDBHSA-N -1 0 335.469 3.656 20 0 EHADRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2sc(C)cc2C)c1C ZINC000431152196 1023346695 /nfs/dbraw/zinc/34/66/95/1023346695.db2.gz MNSURBSMKOWRRV-JTQLQIEISA-N -1 0 327.475 3.642 20 0 EHADRM Cc1cccc2c1N(C(=O)c1ccc(Br)cc1[O-])CC2 ZINC000092227594 1023348495 /nfs/dbraw/zinc/34/84/95/1023348495.db2.gz KXDXCZQJYUTQQW-UHFFFAOYSA-N -1 0 332.197 3.666 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2OCC2CC2)s1 ZINC000431181394 1023392604 /nfs/dbraw/zinc/39/26/04/1023392604.db2.gz KAPFDRMUSFCJMI-UHFFFAOYSA-N -1 0 337.466 3.955 20 0 EHADRM Cc1cc(Cl)c(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1C ZINC000431223176 1023534891 /nfs/dbraw/zinc/53/48/91/1023534891.db2.gz ZTDMSZLTEURCLZ-MAZHCROVSA-N -1 0 335.831 3.815 20 0 EHADRM Cc1cc(Cl)c(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1C ZINC000431223178 1023534986 /nfs/dbraw/zinc/53/49/86/1023534986.db2.gz ZTDMSZLTEURCLZ-WQVCFCJDSA-N -1 0 335.831 3.815 20 0 EHADRM COCCOCc1cccc(-c2ccc(CCC(=O)[O-])cc2C)c1 ZINC000516089793 1033161039 /nfs/dbraw/zinc/16/10/39/1033161039.db2.gz XHMWVXOYOWAPJC-UHFFFAOYSA-N -1 0 328.408 3.842 20 0 EHADRM Cc1c(NC(=O)CSc2ccc3c(c2)CCC3)cccc1C(=O)[O-] ZINC000392181627 1023925630 /nfs/dbraw/zinc/92/56/30/1023925630.db2.gz XKEDSCUBSCNOMP-UHFFFAOYSA-N -1 0 341.432 3.913 20 0 EHADRM O=C([O-])CCOc1ccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)cc1 ZINC000058984053 1033173174 /nfs/dbraw/zinc/17/31/74/1033173174.db2.gz BJPFBSKLVNYWGI-OQLLNIDSSA-N -1 0 343.766 3.686 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2cccc(C(F)(F)F)c2)Cc2ccccc21 ZINC000326905359 1023959219 /nfs/dbraw/zinc/95/92/19/1023959219.db2.gz DNLCAJZBOQBALR-OAHLLOKOSA-N -1 0 349.308 3.530 20 0 EHADRM CC(C)(C)OC(=O)CCC(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000434367928 1023985377 /nfs/dbraw/zinc/98/53/77/1023985377.db2.gz SYNITLPHNPPMLM-UHFFFAOYSA-N -1 0 334.199 3.759 20 0 EHADRM CCCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cn(CC)cn1 ZINC000471992879 1023997984 /nfs/dbraw/zinc/99/79/84/1023997984.db2.gz RDTWNMWVIHXHNV-UHFFFAOYSA-N -1 0 335.473 3.780 20 0 EHADRM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3ncc(F)cc3F)s2)c1 ZINC000192318595 1024003633 /nfs/dbraw/zinc/00/36/33/1024003633.db2.gz XTSSKRYGHXRYDF-UHFFFAOYSA-N -1 0 346.362 3.747 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)C(=O)[O-] ZINC000236598434 1024014819 /nfs/dbraw/zinc/01/48/19/1024014819.db2.gz FFTBPFAORGBWQU-LLVKDONJSA-N -1 0 343.210 3.704 20 0 EHADRM O=C([O-])CCC1CC[NH+](Cc2c(F)cccc2N2CCCC2)CC1 ZINC000665342249 1024016994 /nfs/dbraw/zinc/01/69/94/1024016994.db2.gz WBJFYAGRHCITEX-UHFFFAOYSA-N -1 0 334.435 3.503 20 0 EHADRM O=C([O-])[C@H](Cc1ccccc1)NCc1nc(-c2ccccc2)cs1 ZINC000035941886 1024018917 /nfs/dbraw/zinc/01/89/17/1024018917.db2.gz HYMHLYKIBSMTKK-INIZCTEOSA-N -1 0 338.432 3.596 20 0 EHADRM O=C([O-])C1(S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)CCCC1 ZINC000657200949 1024062628 /nfs/dbraw/zinc/06/26/28/1024062628.db2.gz NNVBGWUSJFTJQC-UHFFFAOYSA-N -1 0 348.395 3.664 20 0 EHADRM Cc1cc(C)n(-c2ccc(-c3cn(C(C)(C)C)nc3C(=O)[O-])cc2)n1 ZINC000657204092 1024081178 /nfs/dbraw/zinc/08/11/78/1024081178.db2.gz LXXYFROCJQPOFG-UHFFFAOYSA-N -1 0 338.411 3.806 20 0 EHADRM O=C([O-])C1(S(=O)(=O)c2ccc(-c3cccs3)cc2)CCCC1 ZINC000657205119 1024086476 /nfs/dbraw/zinc/08/64/76/1024086476.db2.gz YOFQRLFHIXDODR-UHFFFAOYSA-N -1 0 336.434 3.586 20 0 EHADRM C[C@]1(c2ccccc2)CCCN(C(=O)c2c(F)ccc(O)c2F)C1 ZINC000348532485 1024094627 /nfs/dbraw/zinc/09/46/27/1024094627.db2.gz PNAAOQBRZJRMLY-IBGZPJMESA-N -1 0 331.362 3.864 20 0 EHADRM CSc1cc(-c2ccc(O[C@H]3CCOC3)cc2)ccc1C(=O)[O-] ZINC000657204438 1024102239 /nfs/dbraw/zinc/10/22/39/1024102239.db2.gz NTYYMMMIMGOYCX-HNNXBMFYSA-N -1 0 330.405 3.941 20 0 EHADRM CC(C)(C(=O)[O-])c1ccccc1-c1ccc(O[C@@H]2CCOC2)cc1 ZINC000657204431 1024102536 /nfs/dbraw/zinc/10/25/36/1024102536.db2.gz MGAISWMQJSAGDO-MRXNPFEDSA-N -1 0 326.392 3.884 20 0 EHADRM COC[C@@H](C)Oc1cccc(-c2ccc(F)cc2CCC(=O)[O-])c1 ZINC000657205323 1024112364 /nfs/dbraw/zinc/11/23/64/1024112364.db2.gz OHTHZYCILSJHMH-CYBMUJFWSA-N -1 0 332.371 3.924 20 0 EHADRM COc1ccc(-c2cccc3c2OCCCO3)cc1C1(C(=O)[O-])CC1 ZINC000657206837 1024128614 /nfs/dbraw/zinc/12/86/14/1024128614.db2.gz BLWOUMDMGKNLLF-UHFFFAOYSA-N -1 0 340.375 3.640 20 0 EHADRM C[C@H](CCc1ccc(-c2cccc(C(N)=O)c2F)cc1)CC(=O)[O-] ZINC000657206332 1024129040 /nfs/dbraw/zinc/12/90/40/1024129040.db2.gz KLNBNWCTXFQDPW-GFCCVEGCSA-N -1 0 329.371 3.635 20 0 EHADRM COCCCOc1ccc(-c2cc(C)ccc2O[C@@H](C)C(=O)[O-])cc1 ZINC000657207344 1024130664 /nfs/dbraw/zinc/13/06/64/1024130664.db2.gz OGHMMHQKENHROK-HNNXBMFYSA-N -1 0 344.407 3.929 20 0 EHADRM CCc1ccc(CS(=O)(=O)[N-][C@H]([C@H](C)CC)C(F)(F)F)cc1 ZINC000443943412 1024141363 /nfs/dbraw/zinc/14/13/63/1024141363.db2.gz ZNFPVHCBPWIZFI-BXUZGUMPSA-N -1 0 337.407 3.645 20 0 EHADRM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C(=O)Nc1ccc(C)cc1 ZINC000505429725 1024160489 /nfs/dbraw/zinc/16/04/89/1024160489.db2.gz ZYENFUXWDHECHC-MRXNPFEDSA-N -1 0 341.798 3.626 20 0 EHADRM O=C(Nc1cccc(OCc2cscn2)c1)c1cc(F)ccc1O ZINC000094084160 1024201919 /nfs/dbraw/zinc/20/19/19/1024201919.db2.gz KUQNCVROSBUYPR-UHFFFAOYSA-N -1 0 344.367 3.819 20 0 EHADRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cccc([C@H](C)OC)c1 ZINC000434629655 1024229586 /nfs/dbraw/zinc/22/95/86/1024229586.db2.gz XIXTZPGOOANDTK-AWEZNQCLSA-N -1 0 349.452 3.820 20 0 EHADRM Cn1ncc(C(=O)Nc2ccc(Cl)cc2O)c1-c1ccccc1 ZINC000342155954 1024252944 /nfs/dbraw/zinc/25/29/44/1024252944.db2.gz JXAPGRUPOXXXIX-UHFFFAOYSA-N -1 0 327.771 3.698 20 0 EHADRM Brc1cc(CN=c2nc(-c3ccccc3)o[n-]2)cs1 ZINC000475044077 1024254371 /nfs/dbraw/zinc/25/43/71/1024254371.db2.gz BLHQXBXXKFTFER-UHFFFAOYSA-N -1 0 336.214 3.595 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1cnoc1-c1ccccc1 ZINC000538498102 1024259743 /nfs/dbraw/zinc/25/97/43/1024259743.db2.gz HOHNGGZSTLJCEF-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM CNC(=O)c1ccc(/C=C/c2nc3ccc(C(=O)[O-])cc3s2)cc1 ZINC000431562101 1033198011 /nfs/dbraw/zinc/19/80/11/1033198011.db2.gz AYCBWMUMNALAIE-RUDMXATFSA-N -1 0 338.388 3.525 20 0 EHADRM O=C(N=c1nc(-c2cccc(Cl)c2)[n-]s1)N1CCCC2(CC2)C1 ZINC000329972110 1024271658 /nfs/dbraw/zinc/27/16/58/1024271658.db2.gz VXGTUMRZIJWWQQ-UHFFFAOYSA-N -1 0 348.859 3.688 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCc1cc2ccccc2o1 ZINC000330119494 1024324014 /nfs/dbraw/zinc/32/40/14/1024324014.db2.gz ZYNLBQWSZRTUEL-XYPHTWIQSA-N -1 0 341.407 3.610 20 0 EHADRM CCOC(=O)c1cnc(NC(=O)[C@H](c2cccc(Cl)c2)C(C)C)[n-]1 ZINC000510013713 1024384194 /nfs/dbraw/zinc/38/41/94/1024384194.db2.gz KLNCHTPAQFRDME-AWEZNQCLSA-N -1 0 349.818 3.618 20 0 EHADRM COc1ccc(-c2ccccc2)cc1CN=c1[n-]nc(C(F)F)o1 ZINC000346047329 1024411697 /nfs/dbraw/zinc/41/16/97/1024411697.db2.gz XIJIWYYYOPAZSA-UHFFFAOYSA-N -1 0 331.322 3.717 20 0 EHADRM Cc1cc(C)cc(C[C@@H](C)NC(=O)CCc2ccccc2C(=O)[O-])c1 ZINC000262226573 1024416548 /nfs/dbraw/zinc/41/65/48/1024416548.db2.gz RTDQZBPEGXDAIG-MRXNPFEDSA-N -1 0 339.435 3.682 20 0 EHADRM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000096308075 1024416608 /nfs/dbraw/zinc/41/66/08/1024416608.db2.gz GQHZUGKQUKRQSK-GFCCVEGCSA-N -1 0 335.812 3.758 20 0 EHADRM CCC[C@H]1CCCN(C(=O)N=c2[n-]nc(-c3ccccc3)s2)C1 ZINC000466972200 1024445443 /nfs/dbraw/zinc/44/54/43/1024445443.db2.gz ZJDOZICJUYPECM-ZDUSSCGKSA-N -1 0 330.457 3.671 20 0 EHADRM COc1cc(CNC(=O)c2cc(C)ccc2C2CC2)ccc1C(=O)[O-] ZINC000425242984 1024501416 /nfs/dbraw/zinc/50/14/16/1024501416.db2.gz PTPOEGIFVGEIED-UHFFFAOYSA-N -1 0 339.391 3.509 20 0 EHADRM Cc1ccc(C2CC2)c(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1 ZINC000425244177 1024501790 /nfs/dbraw/zinc/50/17/90/1024501790.db2.gz RJJFNWOMMLKYLB-VQTJNVASSA-N -1 0 349.430 3.813 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)c(F)c1)c1cc(F)c(F)c(F)c1 ZINC000607613653 1033216005 /nfs/dbraw/zinc/21/60/05/1033216005.db2.gz MIKWSQPJBXTYGL-UHFFFAOYSA-N -1 0 339.697 3.697 20 0 EHADRM Cc1ccc(CCC(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)s1 ZINC000909521606 1024510887 /nfs/dbraw/zinc/51/08/87/1024510887.db2.gz CAOOTUMJEGFGPL-GFCCVEGCSA-N -1 0 331.437 3.891 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccc(C)c(Br)c1 ZINC000607613498 1033216455 /nfs/dbraw/zinc/21/64/55/1033216455.db2.gz VQUZLCPHVOFNAT-UHFFFAOYSA-N -1 0 346.271 3.928 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2n[nH]c3c2cccc3Cl)c(C)s1 ZINC000434967878 1024530705 /nfs/dbraw/zinc/53/07/05/1024530705.db2.gz IZULGFUZZJNWEL-UHFFFAOYSA-N -1 0 341.845 3.695 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)c(C)c1O ZINC000195504392 1024561569 /nfs/dbraw/zinc/56/15/69/1024561569.db2.gz UYPPJYLGFJSGLA-UHFFFAOYSA-N -1 0 347.436 3.523 20 0 EHADRM CO[C@H](C)c1nc(=NC(c2ccccc2)c2ccccc2)s[n-]1 ZINC000391957561 1024637825 /nfs/dbraw/zinc/63/78/25/1024637825.db2.gz JTAUSXBFJQBONU-CYBMUJFWSA-N -1 0 325.437 3.869 20 0 EHADRM CCOC(=O)/C(=C/c1cc(Cl)c([O-])cc1Cl)c1nccn1C ZINC000759077965 1024688862 /nfs/dbraw/zinc/68/88/62/1024688862.db2.gz XXCCMANAGHYXRM-UXBLZVDNSA-N -1 0 341.194 3.536 20 0 EHADRM O=S(=O)([N-]c1nc2c(s1)CCCC2)c1ccc(Cl)s1 ZINC000014221822 1024702890 /nfs/dbraw/zinc/70/28/90/1024702890.db2.gz MYUDBZKQVUXRDZ-UHFFFAOYSA-N -1 0 334.875 3.538 20 0 EHADRM C[C@H](CC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)C1CCCCC1 ZINC000427668342 1024714653 /nfs/dbraw/zinc/71/46/53/1024714653.db2.gz MDXUJDXTOVNBNR-AYOQOUSVSA-N -1 0 343.467 3.920 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)[N-]OCc2ccccn2)c1 ZINC000909527488 1024751205 /nfs/dbraw/zinc/75/12/05/1024751205.db2.gz YJBFXUBZLFMWNG-HNNXBMFYSA-N -1 0 328.412 3.529 20 0 EHADRM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2cc(F)cc(Cl)c2)no1 ZINC000507920033 1024766570 /nfs/dbraw/zinc/76/65/70/1024766570.db2.gz LRSLNBXLHGDILR-UHFFFAOYSA-N -1 0 346.811 3.707 20 0 EHADRM CC[C@H](Cc1ccccc1)N(CC)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000537479932 1033237985 /nfs/dbraw/zinc/23/79/85/1033237985.db2.gz NOZLAWMEQSEGBM-LJQANCHMSA-N -1 0 339.435 3.797 20 0 EHADRM CCSc1cc(CNC(=O)c2cc(F)c([O-])c(Cl)c2)ccn1 ZINC000192581966 1024861777 /nfs/dbraw/zinc/86/17/77/1024861777.db2.gz LIJQTWLVFYYCQD-UHFFFAOYSA-N -1 0 340.807 3.622 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)N3CC4(C3)CCCC4)cc2)cc(=O)[nH]1 ZINC000548630709 1024894771 /nfs/dbraw/zinc/89/47/71/1024894771.db2.gz RADBBVLKUAVQSX-UHFFFAOYSA-N -1 0 338.411 3.566 20 0 EHADRM O=S(=O)(NCc1cc2ccccc2s1)c1cc(F)ccc1F ZINC000514926857 1024895125 /nfs/dbraw/zinc/89/51/25/1024895125.db2.gz LNOHTEDLUSFUGI-UHFFFAOYSA-N -1 0 339.388 3.658 20 0 EHADRM CCOC(=O)c1cnc(Nc2cc(C)cc(C(=O)[O-])c2)c(Cl)c1 ZINC001211537392 1024900827 /nfs/dbraw/zinc/90/08/27/1024900827.db2.gz HWBBCUHDNPWPBY-UHFFFAOYSA-N -1 0 334.759 3.662 20 0 EHADRM CCCC1(CNC(=O)N(CC(=O)[O-])[C@H](C)c2ccccc2)CCC1 ZINC000515031909 1024974819 /nfs/dbraw/zinc/97/48/19/1024974819.db2.gz YPFUGVXCKPHDGE-OAHLLOKOSA-N -1 0 332.444 3.814 20 0 EHADRM O=S(=O)([N-]c1ccc(Oc2cccc(Cl)c2)cc1)c1c[nH]cn1 ZINC000346687751 1025015126 /nfs/dbraw/zinc/01/51/26/1025015126.db2.gz VEUQSBBPLJKKSC-UHFFFAOYSA-N -1 0 349.799 3.656 20 0 EHADRM Fc1cc(F)cc([C@H]2C[C@H](N=c3[n-]nc(-c4ccccn4)s3)C2)c1 ZINC000435583660 1025017866 /nfs/dbraw/zinc/01/78/66/1025017866.db2.gz KMQXUIBEVQRGML-YEORSEQZSA-N -1 0 344.390 3.658 20 0 EHADRM Cc1[nH]nc(C(=O)N(C)[C@H](C)c2ccc(Cl)c(Cl)c2)c1[O-] ZINC001141521533 1025022406 /nfs/dbraw/zinc/02/24/06/1025022406.db2.gz GTJZSEZHINHJSR-MRVPVSSYSA-N -1 0 328.199 3.564 20 0 EHADRM Cc1ccc(Br)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000123768928 1025053732 /nfs/dbraw/zinc/05/37/32/1025053732.db2.gz MGLGJUIBAZLHGD-UHFFFAOYSA-N -1 0 344.205 3.697 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c1 ZINC000071974239 1025054215 /nfs/dbraw/zinc/05/42/15/1025054215.db2.gz FRLBXYHMMLLQER-UHFFFAOYSA-N -1 0 333.306 3.954 20 0 EHADRM Cc1ccc(S[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000013225080 1025078758 /nfs/dbraw/zinc/07/87/58/1025078758.db2.gz BCCFTMQGHVOGDP-WMLDXEAASA-N -1 0 343.448 3.808 20 0 EHADRM COC(=O)c1ccc(-c2csc(-c3cccc(C(=O)[O-])c3)n2)cc1 ZINC000435693067 1025083179 /nfs/dbraw/zinc/08/31/79/1025083179.db2.gz RZPJODMZUYCWRY-UHFFFAOYSA-N -1 0 339.372 3.962 20 0 EHADRM COc1cc(C)ccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000071977871 1025096934 /nfs/dbraw/zinc/09/69/34/1025096934.db2.gz PFWWASCSKBQCQF-UHFFFAOYSA-N -1 0 345.342 3.823 20 0 EHADRM CCC(CC)(CC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)C(=O)[O-] ZINC000435720248 1025105097 /nfs/dbraw/zinc/10/50/97/1025105097.db2.gz AGZUUNXEQPUGMI-SMDDNHRTSA-N -1 0 341.810 3.732 20 0 EHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000435738502 1025116883 /nfs/dbraw/zinc/11/68/83/1025116883.db2.gz RPDRNWAHBMHHRA-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM Cc1oc(CN(C)[C@@H](C)c2nc(-c3cccs3)no2)cc1C(=O)[O-] ZINC000582068081 1025166012 /nfs/dbraw/zinc/16/60/12/1025166012.db2.gz WBFWNXHGRQPTRT-VIFPVBQESA-N -1 0 347.396 3.591 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N[C@H](CC2CC2)C(=O)[O-])cc1Cl ZINC000684745438 1025212379 /nfs/dbraw/zinc/21/23/79/1025212379.db2.gz ZFBLPNCGWNCKLB-CYBMUJFWSA-N -1 0 340.807 3.502 20 0 EHADRM CCOc1ccc(NC(=O)[C@@](C)(CC(=O)[O-])c2ccsc2)c(C)c1 ZINC000634818502 1025251963 /nfs/dbraw/zinc/25/19/63/1025251963.db2.gz OBBPKBDETHCFRY-SFHVURJKSA-N -1 0 347.436 3.826 20 0 EHADRM Cc1oc(CNc2ncnc3sc4c(c32)CCCC4)cc1C(=O)[O-] ZINC000521253008 1025301437 /nfs/dbraw/zinc/30/14/37/1025301437.db2.gz RIKRMYYNRZBURS-UHFFFAOYSA-N -1 0 343.408 3.782 20 0 EHADRM CC(C)(C)c1cc(CN2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)no1 ZINC000582133537 1025380914 /nfs/dbraw/zinc/38/09/14/1025380914.db2.gz ABSGAISOJPKMIW-HOTGVXAUSA-N -1 0 328.412 3.762 20 0 EHADRM C[C@@H](NC(=O)CC1(C(=O)[O-])CCCC1)c1ccc2c(c1)CCCC2 ZINC000013468398 1025398391 /nfs/dbraw/zinc/39/83/91/1025398391.db2.gz DBHFVWRSEBBBFE-CQSZACIVSA-N -1 0 329.440 3.778 20 0 EHADRM O=C([O-])C1CCC(C(=O)N2CCCC[C@@H]2CCc2ccccc2)CC1 ZINC000684771346 1025413990 /nfs/dbraw/zinc/41/39/90/1025413990.db2.gz HNJPUMWNITXAJO-CTWPCTMYSA-N -1 0 343.467 3.891 20 0 EHADRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C)cc1Cl ZINC000515631115 1025423561 /nfs/dbraw/zinc/42/35/61/1025423561.db2.gz VZKKWMCTUDABBX-UHFFFAOYSA-N -1 0 343.807 3.987 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)ccc1F ZINC000436159998 1025425318 /nfs/dbraw/zinc/42/53/18/1025425318.db2.gz HJCACBIBUHNOQG-UHFFFAOYSA-N -1 0 343.445 3.994 20 0 EHADRM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000436177071 1025448089 /nfs/dbraw/zinc/44/80/89/1025448089.db2.gz JMSDSPQIHFFJTG-UHFFFAOYSA-N -1 0 343.383 3.898 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(F)c(OC(C)C)c(F)c2)c(C)o1 ZINC000342437782 1025471413 /nfs/dbraw/zinc/47/14/13/1025471413.db2.gz OJKUTHJTAHRHPY-UHFFFAOYSA-N -1 0 345.367 3.763 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2OCCF)c(C)s1 ZINC000451085813 1025527565 /nfs/dbraw/zinc/52/75/65/1025527565.db2.gz RNBKWCIGUKFJSJ-UHFFFAOYSA-N -1 0 329.418 3.514 20 0 EHADRM Cn1nccc1S(=O)(=O)[N-]c1ccc(Cl)cc1-c1ccccc1 ZINC000442840193 1025527506 /nfs/dbraw/zinc/52/75/06/1025527506.db2.gz ZYAFQKDMPVYDJD-UHFFFAOYSA-N -1 0 347.827 3.541 20 0 EHADRM CCCCOc1cccc(NC(=O)Cc2ccccc2C(=O)[O-])c1 ZINC000262269261 1025530079 /nfs/dbraw/zinc/53/00/79/1025530079.db2.gz XSVFQPGTYSZTCV-UHFFFAOYSA-N -1 0 327.380 3.745 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@@H](c2ccco2)c2ccccc2)CCCCC1 ZINC000054500346 1025658224 /nfs/dbraw/zinc/65/82/24/1025658224.db2.gz DXOCSMGCTSULGN-GOSISDBHSA-N -1 0 341.407 3.910 20 0 EHADRM CCN(Cc1ccc(C)cc1)C(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000521842312 1025713802 /nfs/dbraw/zinc/71/38/02/1025713802.db2.gz WHNPWAWPTXBBSP-UHFFFAOYSA-N -1 0 342.424 3.582 20 0 EHADRM Cc1cc(-c2ccc(O[C@@H](C)C(=O)[O-])cc2)ccc1O[C@@H]1CCOC1 ZINC000521900776 1025754817 /nfs/dbraw/zinc/75/48/17/1025754817.db2.gz XCZPYSTUVXJXTL-KBXCAEBGSA-N -1 0 342.391 3.682 20 0 EHADRM CCc1ccccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000436478337 1025754774 /nfs/dbraw/zinc/75/47/74/1025754774.db2.gz MCBPUAKQJHUHFT-UHFFFAOYSA-N -1 0 345.342 3.774 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N(CC)c2ccc(OCC)cc2)s1 ZINC000436495433 1025779156 /nfs/dbraw/zinc/77/91/56/1025779156.db2.gz KISSQUDAADOUSH-UHFFFAOYSA-N -1 0 348.472 3.760 20 0 EHADRM O=C(Nc1ccc(OCC(F)F)cc1)c1cc(F)c([O-])c(F)c1 ZINC000436521204 1025825670 /nfs/dbraw/zinc/82/56/70/1025825670.db2.gz CNJXHNDLBWTAPF-UHFFFAOYSA-N -1 0 329.249 3.567 20 0 EHADRM O=C(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)c1cc(F)c([O-])c(F)c1 ZINC000436521269 1025825859 /nfs/dbraw/zinc/82/58/59/1025825859.db2.gz CVSOFZZXVFSCFQ-AMIZOPFISA-N -1 0 341.716 3.749 20 0 EHADRM Cc1c(Cl)cccc1N=c1[n-]nc(SC2CCOCC2)s1 ZINC000472215617 1025833223 /nfs/dbraw/zinc/83/32/23/1025833223.db2.gz VNIGJIYCRNJIAS-UHFFFAOYSA-N -1 0 341.889 3.937 20 0 EHADRM COc1ccc2c(c1)CCN2C(=O)c1c([O-])cc(Cl)cc1Cl ZINC000436536677 1025843915 /nfs/dbraw/zinc/84/39/15/1025843915.db2.gz DWWFEKDTALLCLC-UHFFFAOYSA-N -1 0 338.190 3.911 20 0 EHADRM O=C(c1c([O-])cccc1F)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000436557808 1025861965 /nfs/dbraw/zinc/86/19/65/1025861965.db2.gz VQCLEAXPTDPXBN-INMHGKMJSA-N -1 0 325.383 3.940 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)C[C@H]1CCCC[C@H]1C ZINC000522012539 1025873374 /nfs/dbraw/zinc/87/33/74/1025873374.db2.gz PGSORSYOHZCVFP-DGCLKSJQSA-N -1 0 328.416 3.641 20 0 EHADRM CC[C@@H](O)CCCNC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436578031 1025883334 /nfs/dbraw/zinc/88/33/34/1025883334.db2.gz VPDSAMZISBCCRH-OAHLLOKOSA-N -1 0 347.842 3.994 20 0 EHADRM CC1(C)[C@H](NC(=O)c2cc(Cl)c3ccccc3c2[O-])[C@@H]2CCO[C@H]21 ZINC000436560665 1025887019 /nfs/dbraw/zinc/88/70/19/1025887019.db2.gz GEQPMGDPPKLMJE-JCURWCKSSA-N -1 0 345.826 3.742 20 0 EHADRM O=C(c1ccc(F)cc1[O-])N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000436565211 1025893312 /nfs/dbraw/zinc/89/33/12/1025893312.db2.gz UCNUHBIFANLYDB-UHFFFAOYSA-N -1 0 344.773 3.865 20 0 EHADRM COc1cnc(F)c([N-]c2nc3cc(Br)ccc3o2)c1 ZINC001216405770 1025914452 /nfs/dbraw/zinc/91/44/52/1025914452.db2.gz WMNJVBFDHHALIS-UHFFFAOYSA-N -1 0 338.136 3.877 20 0 EHADRM Cc1cnc(C(C)(C)NC(=O)c2ccc3ccccc3c2O)s1 ZINC000436588260 1025928622 /nfs/dbraw/zinc/92/86/22/1025928622.db2.gz ZTFLWVWKKYDQOO-UHFFFAOYSA-N -1 0 326.421 3.975 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C(C)(C)c2ccc(OC)cc2)c1 ZINC000436651632 1025977137 /nfs/dbraw/zinc/97/71/37/1025977137.db2.gz XIFCVYIMZDHPQG-UHFFFAOYSA-N -1 0 341.407 3.910 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C2=Cc3cc(F)ccc3OC2)c1 ZINC000436650976 1025977581 /nfs/dbraw/zinc/97/75/81/1025977581.db2.gz TYKSRDVZWFLNGO-UHFFFAOYSA-N -1 0 341.338 3.539 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)c1 ZINC000436644173 1025993554 /nfs/dbraw/zinc/99/35/54/1025993554.db2.gz IBKKZTIHAOBRPN-QGZVFWFLSA-N -1 0 345.782 3.581 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CCc2nc3ccccc3o2)c1 ZINC000436645748 1025993738 /nfs/dbraw/zinc/99/37/38/1025993738.db2.gz DYYCOUDUROFWML-UHFFFAOYSA-N -1 0 338.363 3.697 20 0 EHADRM CC1(C)Cc2cccc(S(=O)(=O)[N-]c3ccc4[nH]ccc4c3)c2O1 ZINC000443403385 1026000890 /nfs/dbraw/zinc/00/08/90/1026000890.db2.gz AQWJNTOWEZZABA-UHFFFAOYSA-N -1 0 342.420 3.682 20 0 EHADRM Cc1ccc2c(c1)CN(C(=O)c1cc(F)c([O-])c(Cl)c1)CCO2 ZINC000436660124 1026021425 /nfs/dbraw/zinc/02/14/25/1026021425.db2.gz UTOSRNZJGAUYQM-UHFFFAOYSA-N -1 0 335.762 3.528 20 0 EHADRM CC(C)[C@H](c1ccccc1)N(C)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000665326178 1026027279 /nfs/dbraw/zinc/02/72/79/1026027279.db2.gz WWGZDXKAIVSYCY-DLBZAZTESA-N -1 0 332.444 3.526 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CSCc2cccc(C)c2)c1 ZINC000436678638 1026028161 /nfs/dbraw/zinc/02/81/61/1026028161.db2.gz HPVQWZGUKRNPDC-UHFFFAOYSA-N -1 0 329.421 3.775 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2coc(C3CCCCC3)n2)c1 ZINC000436685831 1026040582 /nfs/dbraw/zinc/04/05/82/1026040582.db2.gz CBLICXUFABFKEQ-UHFFFAOYSA-N -1 0 328.368 3.883 20 0 EHADRM CCCN(C(=O)NC[C@@H](C(=O)[O-])C1CCC1)[C@H]1CCc2ccccc21 ZINC000665326519 1026047597 /nfs/dbraw/zinc/04/75/97/1026047597.db2.gz ALJLYBFHTIMDMZ-MSOLQXFVSA-N -1 0 344.455 3.596 20 0 EHADRM Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1ccc(Cl)cc1[O-] ZINC000436704893 1026067336 /nfs/dbraw/zinc/06/73/36/1026067336.db2.gz LCWKVYHGGKMGJJ-UHFFFAOYSA-N -1 0 327.771 3.996 20 0 EHADRM Cc1ccc2c(c1)CN(C(=O)c1cc(F)cc(Cl)c1[O-])CCO2 ZINC000436719846 1026091460 /nfs/dbraw/zinc/09/14/60/1026091460.db2.gz QVVFVRMHQRBIFA-UHFFFAOYSA-N -1 0 335.762 3.528 20 0 EHADRM CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000436736418 1026102232 /nfs/dbraw/zinc/10/22/32/1026102232.db2.gz GSXYROSSSHCLDZ-MGPLVRAMSA-N -1 0 337.778 3.691 20 0 EHADRM COc1cc([C@H](C)NC(=O)c2ccc(Cl)c(Cl)c2[O-])ccn1 ZINC000436740337 1026109042 /nfs/dbraw/zinc/10/90/42/1026109042.db2.gz QKTKYSPNRGXZHR-QMMMGPOBSA-N -1 0 341.194 3.594 20 0 EHADRM Cc1nc(C)c(CNC(=O)c2cc(Cl)c3ccccc3c2[O-])o1 ZINC000436743813 1026112009 /nfs/dbraw/zinc/11/20/09/1026112009.db2.gz YOYLNSMCDWOARQ-UHFFFAOYSA-N -1 0 330.771 3.734 20 0 EHADRM CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)c1cccc(F)c1[O-] ZINC000934442489 1026128967 /nfs/dbraw/zinc/12/89/67/1026128967.db2.gz RZWGYUHYZSVSOR-QGZVFWFLSA-N -1 0 349.377 3.502 20 0 EHADRM O=C(N[C@H](c1ccccc1)[C@@H]1CCOC1)c1ccc(Cl)cc1O ZINC000436751655 1026139981 /nfs/dbraw/zinc/13/99/81/1026139981.db2.gz UJKIZTXPRKFWMD-CXAGYDPISA-N -1 0 331.799 3.553 20 0 EHADRM Cc1cc(C(=O)Nc2cc(Cl)c([O-])cc2F)nn1-c1ccccc1 ZINC000436771439 1026149480 /nfs/dbraw/zinc/14/94/80/1026149480.db2.gz VNOGMQWAABTVET-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)CCC2)c1cccc(Cl)c1F ZINC000511117564 1026190195 /nfs/dbraw/zinc/19/01/95/1026190195.db2.gz YPVOKXPMJDBJGM-UHFFFAOYSA-N -1 0 325.792 3.769 20 0 EHADRM O=S(=O)([N-]c1ccc2cc[nH]c2c1)c1ccccc1OC(F)F ZINC000193476923 1026203022 /nfs/dbraw/zinc/20/30/22/1026203022.db2.gz GPSFXUFWYHWAQE-UHFFFAOYSA-N -1 0 338.335 3.570 20 0 EHADRM O=C(c1ccc(C(F)(F)F)c(O)c1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000684871928 1026263091 /nfs/dbraw/zinc/26/30/91/1026263091.db2.gz NPBOLHZSULTBQG-GFCCVEGCSA-N -1 0 339.317 3.502 20 0 EHADRM CC(C)(C)c1cnc([N-]S(=O)(=O)c2cc3ccccc3o2)s1 ZINC000530771550 1026282045 /nfs/dbraw/zinc/28/20/45/1026282045.db2.gz ZJZIQQMNWWKHNC-UHFFFAOYSA-N -1 0 336.438 3.988 20 0 EHADRM Cc1cc(NC(=O)CCCOc2ccccc2)cc(C(=O)[O-])c1C ZINC000324743924 1026288156 /nfs/dbraw/zinc/28/81/56/1026288156.db2.gz OQAOTODHYFCTJN-UHFFFAOYSA-N -1 0 327.380 3.799 20 0 EHADRM O=C([O-])C1(CC(=O)N2Cc3ccccc3-c3ccccc3C2)CCC1 ZINC000262448396 1026326300 /nfs/dbraw/zinc/32/63/00/1026326300.db2.gz DNMWSKYMAFYQMS-UHFFFAOYSA-N -1 0 335.403 3.841 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccccc2CCC(F)(F)F)CCC1 ZINC000262453313 1026334141 /nfs/dbraw/zinc/33/41/41/1026334141.db2.gz DZXKZTCXNFBQEO-UHFFFAOYSA-N -1 0 329.318 3.765 20 0 EHADRM COc1cc(NC(=O)C2CCC(C(F)(F)F)CC2)ccc1C(=O)[O-] ZINC000326933171 1026386680 /nfs/dbraw/zinc/38/66/80/1026386680.db2.gz XWZBLLRIHXJMCS-UHFFFAOYSA-N -1 0 345.317 3.701 20 0 EHADRM Cc1noc(C)c1CN=c1[n-]c(-c2cc(Cl)cc(Cl)c2)no1 ZINC000530908903 1026411387 /nfs/dbraw/zinc/41/13/87/1026411387.db2.gz KKKAEZCBDNOOGW-UHFFFAOYSA-N -1 0 339.182 3.682 20 0 EHADRM Cc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1C(=O)[O-] ZINC000324891626 1026418840 /nfs/dbraw/zinc/41/88/40/1026418840.db2.gz GKFNJAAXRJJNOE-UHFFFAOYSA-N -1 0 347.436 3.792 20 0 EHADRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000511159273 1026578240 /nfs/dbraw/zinc/57/82/40/1026578240.db2.gz ZJIDBGNNHKVSJB-UHFFFAOYSA-N -1 0 331.846 3.909 20 0 EHADRM Cc1cn(C(C)(C)C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cn1 ZINC000897272908 1026652486 /nfs/dbraw/zinc/65/24/86/1026652486.db2.gz LRYLXRNBXMMYDQ-UHFFFAOYSA-N -1 0 328.199 3.578 20 0 EHADRM Cc1ccc2nc(C3CC3)cc(C(=O)N=c3ccc(C4CC4)n[n-]3)c2c1 ZINC000531192891 1026664435 /nfs/dbraw/zinc/66/44/35/1026664435.db2.gz WWHBLUSSXKAONK-UHFFFAOYSA-N -1 0 344.418 3.762 20 0 EHADRM CC(C)(CNC(=O)c1c([O-])cc(Cl)cc1Cl)c1ccccn1 ZINC000452384664 1026693383 /nfs/dbraw/zinc/69/33/83/1026693383.db2.gz HPIKNPCMTMYSJO-UHFFFAOYSA-N -1 0 339.222 3.802 20 0 EHADRM C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000452646787 1026894259 /nfs/dbraw/zinc/89/42/59/1026894259.db2.gz PKRPMQYBJIQQNZ-APPZFPTMSA-N -1 0 339.716 3.988 20 0 EHADRM CCC(CC)N(C(=O)c1nn(-c2ccc(F)cc2C)cc1[O-])C1CC1 ZINC000531430712 1026903716 /nfs/dbraw/zinc/90/37/16/1026903716.db2.gz XLPYVBLJFPLSBE-UHFFFAOYSA-N -1 0 345.418 3.819 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)CCc2ccccc2C(=O)[O-])c1 ZINC000262156016 1026962346 /nfs/dbraw/zinc/96/23/46/1026962346.db2.gz KAKQWSMQLDSFRN-ZDUSSCGKSA-N -1 0 327.380 3.664 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2cccc3ncccc32)cc1C ZINC000342784118 1027031912 /nfs/dbraw/zinc/03/19/12/1027031912.db2.gz RJLIESNBCZSHGO-LBPRGKRZSA-N -1 0 344.440 3.512 20 0 EHADRM CC1(C)Cc2cc([N-]S(=O)(=O)c3cc4ccccc4o3)ccc2O1 ZINC000531582602 1027073231 /nfs/dbraw/zinc/07/32/31/1027073231.db2.gz KDTLBCALUNJDOY-UHFFFAOYSA-N -1 0 343.404 3.947 20 0 EHADRM O=c1nc(-c2ccon2)[n-]c2cc(-c3cccc(Cl)c3)sc21 ZINC000074797513 1027077212 /nfs/dbraw/zinc/07/72/12/1027077212.db2.gz KAIMDKZJIMBEDX-UHFFFAOYSA-N -1 0 329.768 3.960 20 0 EHADRM O=C(c1ccc(F)cc1[O-])N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000123275975 1027082498 /nfs/dbraw/zinc/08/24/98/1027082498.db2.gz HJAFRQUOKITBQZ-UHFFFAOYSA-N -1 0 336.366 3.942 20 0 EHADRM CC(C)(C)CCS(=O)(=O)[N-][C@@H](c1cc(F)ccc1F)C(F)F ZINC000577342082 1027133283 /nfs/dbraw/zinc/13/32/83/1027133283.db2.gz PEVBSCUENPNBDC-LBPRGKRZSA-N -1 0 341.370 3.627 20 0 EHADRM N#Cc1ccc(C(=O)[O-])nc1/C=C/c1cc(Br)cs1 ZINC000075474342 1027137522 /nfs/dbraw/zinc/13/75/22/1027137522.db2.gz CUNDXXKORVTYTC-DUXPYHPUSA-N -1 0 335.182 3.646 20 0 EHADRM Cc1[nH][nH]c(=NC(=O)c2cc(F)cc(Cl)c2[O-])c1-c1ccccc1 ZINC000531770150 1027350076 /nfs/dbraw/zinc/35/00/76/1027350076.db2.gz CKGYQCPXGXKTEY-UHFFFAOYSA-N -1 0 345.761 3.557 20 0 EHADRM CC(C)CCC(=O)CSc1n[n-]c(=NCCc2ccccc2)s1 ZINC000531813300 1027413276 /nfs/dbraw/zinc/41/32/76/1027413276.db2.gz RRDIOOMQSZKGIZ-UHFFFAOYSA-N -1 0 349.525 3.712 20 0 EHADRM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)N=c2cc(C)c(C)n[n-]2)cc1 ZINC000531813653 1027414083 /nfs/dbraw/zinc/41/40/83/1027414083.db2.gz HTGJVCOXKSDGJQ-AUUYWEPGSA-N -1 0 338.455 3.829 20 0 EHADRM CCOc1cc(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)ccc1C ZINC000414446487 1027416582 /nfs/dbraw/zinc/41/65/82/1027416582.db2.gz JIHYNIZAROLFIA-CYBMUJFWSA-N -1 0 327.380 3.834 20 0 EHADRM CC(C)CN(C(=O)N=c1[n-]nc(-c2ccco2)s1)C1CCCC1 ZINC000444400438 1027439691 /nfs/dbraw/zinc/43/96/91/1027439691.db2.gz YRPPJUUMQOIZNW-UHFFFAOYSA-N -1 0 334.445 3.653 20 0 EHADRM Cc1cccc([C@H]2CCN(C(=O)c3cc(F)c(F)c([O-])c3F)C2)c1 ZINC000273494479 1027456586 /nfs/dbraw/zinc/45/65/86/1027456586.db2.gz PBBMZESJADLLHX-LBPRGKRZSA-N -1 0 335.325 3.748 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)Nc1ccc2c(c1)CCO2)C1CCCCC1 ZINC000237580604 1027459845 /nfs/dbraw/zinc/45/98/45/1027459845.db2.gz QCABZRMULDQYHN-IBGZPJMESA-N -1 0 331.412 3.621 20 0 EHADRM CCCCN(CC(F)(F)F)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000118880315 1027492100 /nfs/dbraw/zinc/49/21/00/1027492100.db2.gz PIKHXHGGLIVHHF-UHFFFAOYSA-N -1 0 332.347 3.921 20 0 EHADRM CC(C)CNC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000614746847 1027495297 /nfs/dbraw/zinc/49/52/97/1027495297.db2.gz KUDZVCDLGIGLGK-UHFFFAOYSA-N -1 0 346.814 3.684 20 0 EHADRM C/C=C\C[C@@H](NC(=O)Cc1csc2ccc(Cl)cc12)C(=O)[O-] ZINC000582764106 1027614729 /nfs/dbraw/zinc/61/47/29/1027614729.db2.gz OAIYZMIFFDHTFP-XQJDBVBESA-N -1 0 337.828 3.633 20 0 EHADRM O=C([O-])C1(CC(=O)N(C2CC2)[C@H]2CCCc3ccccc32)CCC1 ZINC000262525635 1027615145 /nfs/dbraw/zinc/61/51/45/1027615145.db2.gz ONXLBWNSUBPQDG-KRWDZBQOSA-N -1 0 327.424 3.700 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC000237305175 1027643373 /nfs/dbraw/zinc/64/33/73/1027643373.db2.gz SMEVZBCWUVYEAG-ZHZWZMEUSA-N -1 0 339.391 3.925 20 0 EHADRM CC[C@H]1C[C@@H](N=c2[n-]nc(Cc3ccc(Cl)cc3)s2)CCO1 ZINC000420642112 1027664791 /nfs/dbraw/zinc/66/47/91/1027664791.db2.gz SLIANRGJYQFUCB-KBPBESRZSA-N -1 0 337.876 3.574 20 0 EHADRM COc1cc(C(=O)N2CCC3(CCCCC3)CC2)cc(OC)c1O ZINC000130998866 1027723084 /nfs/dbraw/zinc/72/30/84/1027723084.db2.gz FPGJGLQIEBBPHC-UHFFFAOYSA-N -1 0 333.428 3.596 20 0 EHADRM CC(C)C[C@H](NC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1)c1cccs1 ZINC000422587847 1027797211 /nfs/dbraw/zinc/79/72/11/1027797211.db2.gz JBFGGJCXPDBZMP-MJBXVCDLSA-N -1 0 338.473 3.588 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@H]2CCCc3sccc32)cc1F ZINC000422572529 1027802428 /nfs/dbraw/zinc/80/24/28/1027802428.db2.gz JUCRGHZQUXQRFL-ZDUSSCGKSA-N -1 0 333.384 3.573 20 0 EHADRM CC(C)[C@H]([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)C(F)(F)F ZINC000414476981 1027807483 /nfs/dbraw/zinc/80/74/83/1027807483.db2.gz KSLDGQLCZQTSQX-NSHDSACASA-N -1 0 345.333 3.631 20 0 EHADRM CCCN=c1[n-]nc(SCC(=O)c2csc3ccccc23)s1 ZINC000475965639 1027820245 /nfs/dbraw/zinc/82/02/45/1027820245.db2.gz OFEODWSKOOAENO-UHFFFAOYSA-N -1 0 349.506 3.972 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)n2)cc1C ZINC000783604621 1027853581 /nfs/dbraw/zinc/85/35/81/1027853581.db2.gz OIGUHXXHHNENRF-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)C[C@H](C)c1ccc(F)cc1 ZINC000262191465 1027959654 /nfs/dbraw/zinc/95/96/54/1027959654.db2.gz YWYKCKVBZVSVJH-KBXCAEBGSA-N -1 0 343.398 3.960 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCC[C@@H](C(C)C)C2)n1 ZINC000444528839 1028011375 /nfs/dbraw/zinc/01/13/75/1028011375.db2.gz ZKKXZHSWZBWTNH-CQSZACIVSA-N -1 0 345.418 3.534 20 0 EHADRM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1c(C)sc2c1cccc2C ZINC000421160562 1028138611 /nfs/dbraw/zinc/13/86/11/1028138611.db2.gz YQPOCHZUHHUDNU-UHFFFAOYSA-N -1 0 349.481 3.669 20 0 EHADRM CC(C)C[C@H]1C[C@@H](N=c2[n-]nc(Cc3ccc(F)cc3)s2)CCO1 ZINC000544393040 1028154546 /nfs/dbraw/zinc/15/45/46/1028154546.db2.gz PMEIOBKAULKTHU-HOTGVXAUSA-N -1 0 349.475 3.696 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cnn(C(C)C)c2)c1Cl ZINC000559662932 1028164137 /nfs/dbraw/zinc/16/41/37/1028164137.db2.gz TZGOGXDHWYRJBD-UHFFFAOYSA-N -1 0 348.255 3.880 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccnc2OC(C)C)cc1Cl ZINC000614843376 1028168672 /nfs/dbraw/zinc/16/86/72/1028168672.db2.gz HHKZTJRMZACCCO-UHFFFAOYSA-N -1 0 340.832 3.631 20 0 EHADRM COc1c(Cl)cc([N-]S(=O)(=O)c2cccs2)cc1Cl ZINC000509544383 1028187432 /nfs/dbraw/zinc/18/74/32/1028187432.db2.gz SKJIJHUCRQXVAC-UHFFFAOYSA-N -1 0 338.237 3.864 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@H](C)c2ccccc2C(F)(F)F)s[n-]1 ZINC000509544182 1028202920 /nfs/dbraw/zinc/20/29/20/1028202920.db2.gz QAAPFUDVFNBZHP-BDAKNGLRSA-N -1 0 331.363 3.859 20 0 EHADRM CCOC(=O)c1ccc(N)c(Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC001211965000 1028268200 /nfs/dbraw/zinc/26/82/00/1028268200.db2.gz IWXYKLHCRKUXEK-UHFFFAOYSA-N -1 0 334.759 3.541 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2ccc(OC3COC3)c(F)c2)c1 ZINC001211966486 1028304448 /nfs/dbraw/zinc/30/44/48/1028304448.db2.gz AIERRLPIFUHNCL-UHFFFAOYSA-N -1 0 337.734 3.699 20 0 EHADRM CC(=O)c1cc2c(cc1Nc1cc(Cl)cc(C(=O)[O-])c1)OCO2 ZINC001211967262 1028337604 /nfs/dbraw/zinc/33/76/04/1028337604.db2.gz YUVQYPUVMTYAFF-UHFFFAOYSA-N -1 0 333.727 3.713 20 0 EHADRM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)cc1 ZINC000057123606 1028351606 /nfs/dbraw/zinc/35/16/06/1028351606.db2.gz RJNIVWUGSNOUPT-LBPRGKRZSA-N -1 0 345.424 3.541 20 0 EHADRM CC[C@@H](C)c1cc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)on1 ZINC000139263261 1028384006 /nfs/dbraw/zinc/38/40/06/1028384006.db2.gz QFKZWWMNUDZMOI-OCCSQVGLSA-N -1 0 330.384 3.524 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC[C@H](C(C)C)C2)n1 ZINC000444893085 1028392669 /nfs/dbraw/zinc/39/26/69/1028392669.db2.gz FMRDVLQFMNOHAX-INIZCTEOSA-N -1 0 341.455 3.649 20 0 EHADRM CC[C@H]1CCCN1C(=O)N=c1[n-]nc(SCc2ccccc2)s1 ZINC000523586638 1028454275 /nfs/dbraw/zinc/45/42/75/1028454275.db2.gz YCEVOYRPSNNEQK-ZDUSSCGKSA-N -1 0 348.497 3.659 20 0 EHADRM CCC(=CC(=O)Nc1cccc(-c2nc(CC)cc(=O)[nH]2)c1)CC ZINC000121994909 1028531907 /nfs/dbraw/zinc/53/19/07/1028531907.db2.gz YUVQUCHEIOTYOC-UHFFFAOYSA-N -1 0 325.412 3.684 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000236687010 1028541387 /nfs/dbraw/zinc/54/13/87/1028541387.db2.gz KWBQKJJZYUJPLH-UHFFFAOYSA-N -1 0 343.210 3.658 20 0 EHADRM O=C(NCc1ccccc1Br)c1cc(O)ccc1Cl ZINC000236555611 1028551308 /nfs/dbraw/zinc/55/13/08/1028551308.db2.gz VKAAUKYGBANNOP-UHFFFAOYSA-N -1 0 340.604 3.738 20 0 EHADRM O=C(NCc1cccc(Br)c1)c1cc(O)ccc1Cl ZINC000236555501 1028552555 /nfs/dbraw/zinc/55/25/55/1028552555.db2.gz BOYVBYORNFMYKC-UHFFFAOYSA-N -1 0 340.604 3.738 20 0 EHADRM CC(C)COCCC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000236609572 1028559671 /nfs/dbraw/zinc/55/96/71/1028559671.db2.gz FQQZYTQKQMGDND-KRWDZBQOSA-N -1 0 349.471 3.679 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)[C@H](C)Sc1ccccc1Cl ZINC000236732652 1028577391 /nfs/dbraw/zinc/57/73/91/1028577391.db2.gz RPSKLMZOTZGLRV-LBPRGKRZSA-N -1 0 343.876 3.780 20 0 EHADRM CC(C)CCOc1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000236780323 1028580951 /nfs/dbraw/zinc/58/09/51/1028580951.db2.gz NYTRSLXCDNSLBY-QGZVFWFLSA-N -1 0 347.455 3.971 20 0 EHADRM CCCC[C@H](NC(=O)Nc1ccc(COC2CCCC2)cc1)C(=O)[O-] ZINC000583043527 1028635203 /nfs/dbraw/zinc/63/52/03/1028635203.db2.gz GGYLJOGQCTUURK-KRWDZBQOSA-N -1 0 348.443 3.911 20 0 EHADRM CSCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2C)cc1 ZINC000237387277 1028650794 /nfs/dbraw/zinc/65/07/94/1028650794.db2.gz XVVKIFSARCUVCH-QGZVFWFLSA-N -1 0 343.448 3.804 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC000237533666 1028653967 /nfs/dbraw/zinc/65/39/67/1028653967.db2.gz RKBRPLJZZRMKRU-NSHDSACASA-N -1 0 349.333 3.740 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N(CC1CC1)CC1CC1)C(=O)[O-] ZINC000237550046 1028655463 /nfs/dbraw/zinc/65/54/63/1028655463.db2.gz RIHYLQCKSJCCFN-LBPRGKRZSA-N -1 0 333.453 3.514 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCc2ccccc2Oc2ccccc2)o1 ZINC000238021117 1028672428 /nfs/dbraw/zinc/67/24/28/1028672428.db2.gz PJTFXCGTCWWWLQ-UHFFFAOYSA-N -1 0 337.331 3.700 20 0 EHADRM COC(=O)CCc1ccc(Nc2ccc(O)c(F)c2F)cc1F ZINC001212016198 1028737958 /nfs/dbraw/zinc/73/79/58/1028737958.db2.gz CVSMLYIWTBORKP-UHFFFAOYSA-N -1 0 325.286 3.659 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CCCC3)cc1 ZINC000171147549 1028757406 /nfs/dbraw/zinc/75/74/06/1028757406.db2.gz CRKLUGFKZBYWSD-UHFFFAOYSA-N -1 0 340.495 3.545 20 0 EHADRM CCOc1cc(-c2noc(-c3cc(Cl)ccc3[O-])n2)ccc1O ZINC000445427999 1028772317 /nfs/dbraw/zinc/77/23/17/1028772317.db2.gz RSXXXSLPKVCFTD-UHFFFAOYSA-N -1 0 332.743 3.867 20 0 EHADRM CC(C)Sc1cc(Br)ccc1CN=c1[n-]ncs1 ZINC000502871819 1028782250 /nfs/dbraw/zinc/78/22/50/1028782250.db2.gz RCJDYVINFXISHD-UHFFFAOYSA-N -1 0 344.303 3.835 20 0 EHADRM Cc1ccc(Oc2ccccc2NC(=O)[C@@H](C)O[C@@H](C)C(=O)[O-])cc1 ZINC000421806729 1028793458 /nfs/dbraw/zinc/79/34/58/1028793458.db2.gz MMESDFJFPWENAP-KGLIPLIRSA-N -1 0 343.379 3.604 20 0 EHADRM Cc1cc(NC(=O)C(C)(C)CCC(=O)[O-])ccc1-c1ccncc1 ZINC000634837995 1028824880 /nfs/dbraw/zinc/82/48/80/1028824880.db2.gz WFJMLKYNNFPLPV-UHFFFAOYSA-N -1 0 326.396 3.887 20 0 EHADRM C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000248417933 1028896958 /nfs/dbraw/zinc/89/69/58/1028896958.db2.gz RSRWNBHNPWGICU-SEDUGSJDSA-N -1 0 347.361 3.661 20 0 EHADRM CCSc1cccc(CNC(=O)CC2(CC(=O)[O-])CCCC2)c1 ZINC000427440733 1029003312 /nfs/dbraw/zinc/00/33/12/1029003312.db2.gz DPKZDABZCSZHDT-UHFFFAOYSA-N -1 0 335.469 3.840 20 0 EHADRM c1cc(OC2CCCCC2)ncc1CN=c1[n-]nc(C2CC2)s1 ZINC000532890775 1029005770 /nfs/dbraw/zinc/00/57/70/1029005770.db2.gz URHIWLLPNBJBMD-UHFFFAOYSA-N -1 0 330.457 3.556 20 0 EHADRM C[C@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](c2n[n-]c(=N)o2)C1 ZINC000639819683 1029027557 /nfs/dbraw/zinc/02/75/57/1029027557.db2.gz IYKJXCCRZYBANJ-MWLCHTKSSA-N -1 0 341.242 3.730 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cc(C)cc2cccnc21)C(=O)[O-] ZINC000424377617 1029034359 /nfs/dbraw/zinc/03/43/59/1029034359.db2.gz DSYCJOAMTVQDAV-UHFFFAOYSA-N -1 0 329.400 3.556 20 0 EHADRM CC[C@@H](CN(CC)C(=O)NCCC(C)(C)C(=O)[O-])c1ccccc1 ZINC000424408121 1029052071 /nfs/dbraw/zinc/05/20/71/1029052071.db2.gz UYIJLAHPLJQSNQ-HNNXBMFYSA-N -1 0 334.460 3.713 20 0 EHADRM CC[C@@H]1c2ccsc2CCN1C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000424406759 1029052728 /nfs/dbraw/zinc/05/27/28/1029052728.db2.gz GOXGYRVJXVVGOK-TZMCWYRMSA-N -1 0 338.473 3.514 20 0 EHADRM CSc1ccc([C@H](C)NC(=O)NC[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000424445950 1029067979 /nfs/dbraw/zinc/06/79/79/1029067979.db2.gz FQAFVEVFKWTYNC-JSGCOSHPSA-N -1 0 338.473 3.516 20 0 EHADRM CCC(CC)(CNC(=O)N1CCC[C@@H]1c1ccc(C)s1)C(=O)[O-] ZINC000424429739 1029073015 /nfs/dbraw/zinc/07/30/15/1029073015.db2.gz KIQIPGRCZQINFO-CYBMUJFWSA-N -1 0 338.473 3.794 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)[C@@H](C)Cc1ccccc1F ZINC000237364350 1029075807 /nfs/dbraw/zinc/07/58/07/1029075807.db2.gz UYVDMLNLCGSPLF-KBXCAEBGSA-N -1 0 343.398 3.645 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)NCc2cccc(Cl)c2)s1 ZINC000503132794 1029084224 /nfs/dbraw/zinc/08/42/24/1029084224.db2.gz GAJKXMICVSAQQW-UHFFFAOYSA-N -1 0 338.864 3.668 20 0 EHADRM CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@@H]3CCC[C@H](F)C3)c2)n1 ZINC000424607136 1029166988 /nfs/dbraw/zinc/16/69/88/1029166988.db2.gz QTOJPFDUNPHCEW-KGLIPLIRSA-N -1 0 343.402 3.878 20 0 EHADRM CCc1cnc(CN[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])s1 ZINC000424611943 1029169550 /nfs/dbraw/zinc/16/95/50/1029169550.db2.gz FMRUXTXNLYKQKX-KRWDZBQOSA-N -1 0 340.448 3.644 20 0 EHADRM O=C(Cc1csc(-c2ccccc2Cl)n1)[N-]OC1CCCC1 ZINC000271790701 1029172320 /nfs/dbraw/zinc/17/23/20/1029172320.db2.gz QOQMBGPPEYIADK-UHFFFAOYSA-N -1 0 336.844 3.996 20 0 EHADRM CCC[C@](C)(NC(=O)N[C@@H](C)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000583222787 1029306751 /nfs/dbraw/zinc/30/67/51/1029306751.db2.gz PGRYTFOHYGMRAV-VFZGTOFNSA-N -1 0 347.242 3.997 20 0 EHADRM C[C@H](SCCC[N-]C(=O)C(F)(F)F)c1ccc(F)c(F)c1 ZINC000091617759 1029414412 /nfs/dbraw/zinc/41/44/12/1029414412.db2.gz IEJNWJZIRPVWSW-QMMMGPOBSA-N -1 0 327.318 3.828 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)nc1 ZINC000116603635 1029425733 /nfs/dbraw/zinc/42/57/33/1029425733.db2.gz YCBOKCPXLLZBKY-UHFFFAOYSA-N -1 0 349.264 3.911 20 0 EHADRM COc1ccc2sc(C(=O)N3CCC[C@H](CC(=O)[O-])C3)c(C)c2c1 ZINC000533197081 1029437731 /nfs/dbraw/zinc/43/77/31/1029437731.db2.gz CMSRVKQKLMUHGE-GFCCVEGCSA-N -1 0 347.436 3.545 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)CCc2cc3ccccc3o2)Cc2ccccc21 ZINC000347377661 1029455467 /nfs/dbraw/zinc/45/54/67/1029455467.db2.gz SVHXAUGSTKDSLO-GOSISDBHSA-N -1 0 349.386 3.576 20 0 EHADRM CCSc1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000505316443 1029464455 /nfs/dbraw/zinc/46/44/55/1029464455.db2.gz JNVMIVQEAVUNRA-UHFFFAOYSA-N -1 0 329.393 3.878 20 0 EHADRM CCc1oc(C(=O)Nc2ccc(OC3CCC3)c(F)c2)cc1C(=O)[O-] ZINC000261652579 1029469385 /nfs/dbraw/zinc/46/93/85/1029469385.db2.gz MZAXVSCNODHPCG-UHFFFAOYSA-N -1 0 347.342 3.863 20 0 EHADRM CCc1oc(C(=O)N2[C@@H](C)Cc3cc(F)ccc3[C@@H]2C)cc1C(=O)[O-] ZINC000261676908 1029480877 /nfs/dbraw/zinc/48/08/77/1029480877.db2.gz QABAXBXFJWWPRU-QWRGUYRKSA-N -1 0 345.370 3.827 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2c(C)[nH]nc2C(F)F)cc1CC ZINC000272529536 1029500135 /nfs/dbraw/zinc/50/01/35/1029500135.db2.gz YTSOEFDBYDBMOU-UHFFFAOYSA-N -1 0 343.399 3.581 20 0 EHADRM CC1=C(C)CN(C(=O)c2nn(-c3cccc(C(C)C)c3)cc2[O-])CC1 ZINC000511236635 1029564788 /nfs/dbraw/zinc/56/47/88/1029564788.db2.gz TXZRPJXACUYJBU-UHFFFAOYSA-N -1 0 339.439 3.884 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)Nc1cc(C(C)=O)ccc1[O-] ZINC000272693619 1029569195 /nfs/dbraw/zinc/56/91/95/1029569195.db2.gz QCHIXSOCDFMYJL-UHFFFAOYSA-N -1 0 329.400 3.713 20 0 EHADRM O=C([O-])[C@@H]1CCCN1C(=O)Nc1cccc(CSC2CCCC2)c1 ZINC000611557767 1029573238 /nfs/dbraw/zinc/57/32/38/1029573238.db2.gz UHHCHUHPNWYKPG-INIZCTEOSA-N -1 0 348.468 3.943 20 0 EHADRM CCN(C(=O)c1cc(SC)ccc1O)c1ccc(OC)c(OC)c1 ZINC000666209188 1029574207 /nfs/dbraw/zinc/57/42/07/1029574207.db2.gz YINBMUHEHVSQPB-UHFFFAOYSA-N -1 0 347.436 3.798 20 0 EHADRM Cc1nc2cc(NC(=O)c3ccc(Br)c([O-])c3)ccc2[nH]1 ZINC000343170859 1029607784 /nfs/dbraw/zinc/60/77/84/1029607784.db2.gz QFYODHIFKVUMKN-UHFFFAOYSA-N -1 0 346.184 3.592 20 0 EHADRM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cscc2C)c1 ZINC000161646341 1029632104 /nfs/dbraw/zinc/63/21/04/1029632104.db2.gz BIOFBQLXLMRYLZ-UHFFFAOYSA-N -1 0 329.830 3.713 20 0 EHADRM CC(C)(CCNC(=O)C1(c2ccc(F)cc2)CCCCC1)C(=O)[O-] ZINC000262861709 1029646676 /nfs/dbraw/zinc/64/66/76/1029646676.db2.gz ASQFOHVXCATKJK-UHFFFAOYSA-N -1 0 335.419 3.645 20 0 EHADRM CCC(CC)n1ncc(C(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])c1C ZINC000262939853 1029651723 /nfs/dbraw/zinc/65/17/23/1029651723.db2.gz LHISEKRDPSKPKT-WBVHZDCISA-N -1 0 349.475 3.706 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000263039059 1029659733 /nfs/dbraw/zinc/65/97/33/1029659733.db2.gz CUYXDZLVRRZQOU-JKSUJKDBSA-N -1 0 347.430 3.988 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2cccc(-c3cccs3)c2)C1 ZINC000263086769 1029664682 /nfs/dbraw/zinc/66/46/82/1029664682.db2.gz IKPAAKBRUNVRCD-OCCSQVGLSA-N -1 0 344.436 3.990 20 0 EHADRM Cc1ccc(CCCCC(=O)NCc2ccc(C(=O)[O-])s2)cc1 ZINC000263095608 1029666078 /nfs/dbraw/zinc/66/60/78/1029666078.db2.gz CLUOOKILPNAHST-UHFFFAOYSA-N -1 0 331.437 3.784 20 0 EHADRM Cc1cc(C(=O)N[C@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])c(C)o1 ZINC000263190468 1029672543 /nfs/dbraw/zinc/67/25/43/1029672543.db2.gz XRIHUQNYHUBEGT-CRAIPNDOSA-N -1 0 341.407 3.590 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1csc(-c2ccc(Cl)cc2)n1)C1CC1 ZINC000263213949 1029674769 /nfs/dbraw/zinc/67/47/69/1029674769.db2.gz ZNFZGVLJRIWDHQ-JTQLQIEISA-N -1 0 336.844 3.901 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)s1 ZINC000263205675 1029674872 /nfs/dbraw/zinc/67/48/72/1029674872.db2.gz MWXVMZWZKTXABE-NWDGAFQWSA-N -1 0 335.812 3.520 20 0 EHADRM CCC[C@H](CNC(=O)[C@H](CC)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000263253966 1029680752 /nfs/dbraw/zinc/68/07/52/1029680752.db2.gz VPGHHNXWEHXVIT-TZMCWYRMSA-N -1 0 345.361 3.816 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1 ZINC000263357478 1029690322 /nfs/dbraw/zinc/69/03/22/1029690322.db2.gz XLGUYPJJWRWWES-YMRXKLBXSA-N -1 0 327.355 3.756 20 0 EHADRM CCOc1ccccc1-c1cccc(C(=O)N[C@@H](C)[C@H](C)C(=O)[O-])c1 ZINC000263403222 1029694648 /nfs/dbraw/zinc/69/46/48/1029694648.db2.gz FQQIZNYYFGWJKJ-KBPBESRZSA-N -1 0 341.407 3.591 20 0 EHADRM C[C@H](NC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccc(F)c2ccccc21 ZINC000263432193 1029697435 /nfs/dbraw/zinc/69/74/35/1029697435.db2.gz ZBXYMQXBAGKWNG-BUXKBTBVSA-N -1 0 344.386 3.546 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@]1(C)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000263443161 1029698687 /nfs/dbraw/zinc/69/86/87/1029698687.db2.gz MUHZVZFWJAFKIE-BDJLRTHQSA-N -1 0 343.345 3.665 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@@]1(C)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000263443162 1029699379 /nfs/dbraw/zinc/69/93/79/1029699379.db2.gz MUHZVZFWJAFKIE-BZNIZROVSA-N -1 0 343.345 3.665 20 0 EHADRM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)c1cc(C(=O)[O-])ccn1 ZINC000263444859 1029699415 /nfs/dbraw/zinc/69/94/15/1029699415.db2.gz YFECQYQCRREFAA-AWEZNQCLSA-N -1 0 338.407 3.783 20 0 EHADRM CC(C)(C)Oc1ccc(NC(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000263445632 1029699451 /nfs/dbraw/zinc/69/94/51/1029699451.db2.gz FUJFOXXSZZRWMN-UHFFFAOYSA-N -1 0 342.395 3.884 20 0 EHADRM CCCC[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000263514027 1029707656 /nfs/dbraw/zinc/70/76/56/1029707656.db2.gz DDVLCYCYMNEPQY-QMTHXVAHSA-N -1 0 329.799 3.937 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)c2cccn2C2CCCC2)C(=O)[O-])cc1 ZINC000431531676 1029750889 /nfs/dbraw/zinc/75/08/89/1029750889.db2.gz VTENKHXSVZIBKZ-QGZVFWFLSA-N -1 0 340.423 3.510 20 0 EHADRM CO[C@H](C)c1nc(=N[C@@H](C)COc2ccc(C(C)(C)C)cc2)s[n-]1 ZINC000509686979 1029766130 /nfs/dbraw/zinc/76/61/30/1029766130.db2.gz VQHFSTCICDGOQH-QWHCGFSZSA-N -1 0 349.500 3.844 20 0 EHADRM CC(C)c1cnc(NC(=O)c2cccc(Br)c2[O-])s1 ZINC000525261545 1029773652 /nfs/dbraw/zinc/77/36/52/1029773652.db2.gz BVIPJVMELLBYRY-UHFFFAOYSA-N -1 0 341.230 3.987 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC2CC2)c1 ZINC000525368502 1029815771 /nfs/dbraw/zinc/81/57/71/1029815771.db2.gz BEFZMGLOSDIPRQ-UHFFFAOYSA-N -1 0 335.400 3.724 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)nc1 ZINC000525533896 1029884092 /nfs/dbraw/zinc/88/40/92/1029884092.db2.gz ZUFMOQSQVYKXPV-UHFFFAOYSA-N -1 0 338.454 3.574 20 0 EHADRM CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1c([O-])cccc1F ZINC000120122802 1029899262 /nfs/dbraw/zinc/89/92/62/1029899262.db2.gz GJTGGQBRCZZGDK-UHFFFAOYSA-N -1 0 327.277 3.822 20 0 EHADRM CC(C)c1nc(/C=C\c2cccc(-n3cccn3)c2)ncc1C(=O)[O-] ZINC000531858224 1029914376 /nfs/dbraw/zinc/91/43/76/1029914376.db2.gz JODQWOBYOMOMIS-FPLPWBNLSA-N -1 0 334.379 3.654 20 0 EHADRM Cc1cc(=NC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)[n-]nc1C ZINC000525661774 1030005197 /nfs/dbraw/zinc/00/51/97/1030005197.db2.gz CLXPBAPSYQIKSJ-UONOGXRCSA-N -1 0 336.222 3.564 20 0 EHADRM COc1ccc2ccccc2c1CN=c1[n-]nc(-c2ccccc2)o1 ZINC000508588672 1030021271 /nfs/dbraw/zinc/02/12/71/1030021271.db2.gz NVCUEQJZMHCECB-UHFFFAOYSA-N -1 0 331.375 3.932 20 0 EHADRM COc1ccccc1[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000120494472 1030029675 /nfs/dbraw/zinc/02/96/75/1030029675.db2.gz DYCAVXZQKQWOCV-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CN(Cc1csc(Br)c1)C(=O)c1c([O-])cccc1F ZINC000120782237 1030087947 /nfs/dbraw/zinc/08/79/47/1030087947.db2.gz ZBJZZTJETJGVHY-UHFFFAOYSA-N -1 0 344.205 3.628 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1nc(C)c(Cl)cc1Cl ZINC000481940944 1030125675 /nfs/dbraw/zinc/12/56/75/1030125675.db2.gz GEMZAPBTADGFGO-UHFFFAOYSA-N -1 0 337.253 3.868 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCc2ccc(C)cc2C)s1 ZINC000042317134 1030138038 /nfs/dbraw/zinc/13/80/38/1030138038.db2.gz OFWYDFSDMGBGAV-UHFFFAOYSA-N -1 0 337.466 3.951 20 0 EHADRM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1Cl ZINC000145030182 1030177133 /nfs/dbraw/zinc/17/71/33/1030177133.db2.gz KADIRILLCFBQBR-UHFFFAOYSA-N -1 0 347.179 3.702 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ccc(C)nc2)c(Cl)c1Cl ZINC000121318828 1030252293 /nfs/dbraw/zinc/25/22/93/1030252293.db2.gz LPFCXGIUDCVXNB-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)N=c2cc(C)c(C)n[n-]2)cc1 ZINC000532070598 1030358002 /nfs/dbraw/zinc/35/80/02/1030358002.db2.gz NEGZHZXXZCBEGU-QZTJIDSGSA-N -1 0 338.455 3.624 20 0 EHADRM CN(Cc1ccc(Cl)nc1)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000161818200 1030387250 /nfs/dbraw/zinc/38/72/50/1030387250.db2.gz CJMBAJZLHMTOGD-UHFFFAOYSA-N -1 0 329.158 3.505 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)Nc1ccc(C)c(-c2nc(C)co2)c1)C(=O)[O-] ZINC000583671617 1030418274 /nfs/dbraw/zinc/41/82/74/1030418274.db2.gz BBTWYINVZITUBU-BMIGLBTASA-N -1 0 345.399 3.579 20 0 EHADRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1nc(C(C)(C)C)cs1 ZINC000550831768 1030424645 /nfs/dbraw/zinc/42/46/45/1030424645.db2.gz AHENDWAJIVJKOH-UHFFFAOYSA-N -1 0 328.434 3.689 20 0 EHADRM Cc1ccc(Nc2cccn3c(Br)cnc23)cc1C(=O)[O-] ZINC001211593888 1030461976 /nfs/dbraw/zinc/46/19/76/1030461976.db2.gz FDUSXCPVUZAQAO-UHFFFAOYSA-N -1 0 346.184 3.847 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)s1 ZINC000262597344 1030464795 /nfs/dbraw/zinc/46/47/95/1030464795.db2.gz JCGMLEMALUMGQE-UHFFFAOYSA-N -1 0 347.411 3.680 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)c3cc(C)oc3C(F)(F)F)[nH][n-]2)o1 ZINC000447800272 1030484445 /nfs/dbraw/zinc/48/44/45/1030484445.db2.gz RCYKKSLSAXJWST-UHFFFAOYSA-N -1 0 339.273 3.573 20 0 EHADRM OCCCCCN=c1[n-]nc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000447803965 1030485838 /nfs/dbraw/zinc/48/58/38/1030485838.db2.gz CPLKJOOGPILIMZ-UHFFFAOYSA-N -1 0 332.256 3.508 20 0 EHADRM O=S(=O)(Nc1ccccc1F)c1ccc(C(F)(F)F)c(F)c1 ZINC000447789123 1030489088 /nfs/dbraw/zinc/48/90/88/1030489088.db2.gz SSMUTYHABCMWMD-UHFFFAOYSA-N -1 0 337.269 3.784 20 0 EHADRM C[C@H]1CCCC[C@H]1N(C)C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000532281098 1030531952 /nfs/dbraw/zinc/53/19/52/1030531952.db2.gz SWNKDAKIJMIUGY-GXTWGEPZSA-N -1 0 330.457 3.669 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)CCCCCc2cccs2)cc1 ZINC000262599599 1030595531 /nfs/dbraw/zinc/59/55/31/1030595531.db2.gz YELRTHTXPRHSDF-UHFFFAOYSA-N -1 0 347.436 3.953 20 0 EHADRM CCSc1n[n-]c(=NCc2csc(-c3ccccc3)n2)s1 ZINC000447956561 1030627971 /nfs/dbraw/zinc/62/79/71/1030627971.db2.gz VNBUSOFWMPLSGT-UHFFFAOYSA-N -1 0 334.495 3.808 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)NCCc2ccc(C(C)C)cc2)cc1 ZINC000194486090 1030705670 /nfs/dbraw/zinc/70/56/70/1030705670.db2.gz KCKNSVHNBSMERS-DEOSSOPVSA-N -1 0 343.492 3.585 20 0 EHADRM CCCCN(Cc1ccccc1F)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000448153094 1030774555 /nfs/dbraw/zinc/77/45/55/1030774555.db2.gz CTCBFCKMVXDZJU-UHFFFAOYSA-N -1 0 342.418 3.749 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)N=c2ccc(C3CC3)n[n-]2)cc1 ZINC000448159696 1030779094 /nfs/dbraw/zinc/77/90/94/1030779094.db2.gz ZOXIPVVBDBYMIM-LBPRGKRZSA-N -1 0 342.468 3.771 20 0 EHADRM Cc1cccc(S([O-])=CC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)c1 ZINC000194533725 1030839521 /nfs/dbraw/zinc/83/95/21/1030839521.db2.gz OFNOEERDCUDLKQ-DVECYGJZSA-N -1 0 347.455 3.755 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N3CC[C@@H](C(=O)[O-])[C@@H](C)C3)o2)cc1 ZINC000262816746 1030922985 /nfs/dbraw/zinc/92/29/85/1030922985.db2.gz BILANCHVVADOGG-XJKSGUPXSA-N -1 0 341.407 3.692 20 0 EHADRM CCC(CC)n1nc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cc1C ZINC000262815979 1030923884 /nfs/dbraw/zinc/92/38/84/1030923884.db2.gz ANAMKYJMYOPYCY-ZDUSSCGKSA-N -1 0 343.427 3.993 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1ccc2oc(=O)nc-2[n-]1)c1cccs1 ZINC000666960896 1031029737 /nfs/dbraw/zinc/02/97/37/1031029737.db2.gz UVGIFNUCKVWVPP-LLVKDONJSA-N -1 0 331.397 3.507 20 0 EHADRM CCc1ccccc1[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000551114883 1031045394 /nfs/dbraw/zinc/04/53/94/1031045394.db2.gz GYPVSKMDYWWCLQ-UHFFFAOYSA-N -1 0 331.771 3.981 20 0 EHADRM O=C(c1nn(-c2ccccc2)cc1[O-])N1CCC[C@@]2(CC=CCC2)C1 ZINC000173589842 1031117680 /nfs/dbraw/zinc/11/76/80/1031117680.db2.gz GSQHQZMEUDDCOI-FQEVSTJZSA-N -1 0 337.423 3.540 20 0 EHADRM Cc1ccc(Nc2c(N)cc(Br)cc2F)cc1C(=O)[O-] ZINC001211603867 1031211127 /nfs/dbraw/zinc/21/11/27/1031211127.db2.gz IERFULSHKCVINQ-UHFFFAOYSA-N -1 0 339.164 3.921 20 0 EHADRM Cc1ccc(Nc2ccc3c(c2)OC(C)(C)C(=O)N3)cc1C(=O)[O-] ZINC001211604104 1031231800 /nfs/dbraw/zinc/23/18/00/1031231800.db2.gz OPWQHQKQHMDLKI-UHFFFAOYSA-N -1 0 326.352 3.546 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)Nc3ccc(Cl)c(F)c3)cc2=O)cc1 ZINC000174668316 1031240994 /nfs/dbraw/zinc/24/09/94/1031240994.db2.gz HKJGYHGMJNQVCH-UHFFFAOYSA-N -1 0 345.761 3.519 20 0 EHADRM COCc1n[n-]c(=NCc2ccccc2Oc2ccc(C)cc2)s1 ZINC000477098143 1031250839 /nfs/dbraw/zinc/25/08/39/1031250839.db2.gz HKLIZFWEUDLBQD-UHFFFAOYSA-N -1 0 341.436 3.819 20 0 EHADRM CS(=O)(=O)c1ccc(-c2cccc(C3(C(=O)[O-])CCCC3)c2)cc1 ZINC000568266262 1031270459 /nfs/dbraw/zinc/27/04/59/1031270459.db2.gz OLYHAYJGBPPJQK-UHFFFAOYSA-N -1 0 344.432 3.654 20 0 EHADRM CC[C@@H](O)CCN=c1[n-]nc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000477136090 1031274858 /nfs/dbraw/zinc/27/48/58/1031274858.db2.gz KTJZMUNRRBUAOO-LLVKDONJSA-N -1 0 332.256 3.507 20 0 EHADRM CCCOc1cccc(CNc2cc(C(=O)[O-])cc(OC)c2OC)c1 ZINC000551420951 1031315498 /nfs/dbraw/zinc/31/54/98/1031315498.db2.gz OKGZXPJVMXKJBR-UHFFFAOYSA-N -1 0 345.395 3.803 20 0 EHADRM CCCC[C@H](CCC)NC(=O)N=c1[n-]nc(CC(F)(F)F)s1 ZINC000483961410 1031404274 /nfs/dbraw/zinc/40/42/74/1031404274.db2.gz NERVASHHUDFRQY-VIFPVBQESA-N -1 0 338.399 3.545 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccsc2Cl)[C@H]2CCCC[C@H]12 ZINC000668294997 1031413289 /nfs/dbraw/zinc/41/32/89/1031413289.db2.gz HUHMFSCQTWOSTC-FOGDFJRCSA-N -1 0 327.833 3.507 20 0 EHADRM CC[C@H]1CCCCN1C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000177012859 1031475696 /nfs/dbraw/zinc/47/56/96/1031475696.db2.gz LNIORHDKQNXHII-ZDUSSCGKSA-N -1 0 333.819 3.636 20 0 EHADRM CN(C(=O)Cc1ccc(C(=O)[O-])cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000668323983 1031489180 /nfs/dbraw/zinc/48/91/80/1031489180.db2.gz JYKJTHYGQRCQTP-OKILXGFUSA-N -1 0 343.345 3.507 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N[C@@H]2C[C@H]2c2cccc3ccccc32)C1 ZINC000668323107 1031490550 /nfs/dbraw/zinc/49/05/50/1031490550.db2.gz OYGBHCDEBJMFDA-VVWQDTPRSA-N -1 0 337.419 3.703 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)Nc1ccc(-c2csc(C)n2)cc1)C(=O)[O-] ZINC000584031472 1031501780 /nfs/dbraw/zinc/50/17/80/1031501780.db2.gz MNYDEJSZARVVNF-BMIGLBTASA-N -1 0 347.440 3.739 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)Nc1ccc(-c2csc(C)n2)cc1)C(=O)[O-] ZINC000584031474 1031503697 /nfs/dbraw/zinc/50/36/97/1031503697.db2.gz MNYDEJSZARVVNF-ZUZCIYMTSA-N -1 0 347.440 3.739 20 0 EHADRM CCO[C@H](CCNC(=O)c1cc(F)c([O-])c(Cl)c1)C1CCCC1 ZINC000194793591 1031520661 /nfs/dbraw/zinc/52/06/61/1031520661.db2.gz VAPMBRPPLBVZRM-OAHLLOKOSA-N -1 0 343.826 3.900 20 0 EHADRM CN(C)Cc1ccc(NC(=O)c2c(F)ccc(O)c2F)cc1Cl ZINC000565098832 1031522384 /nfs/dbraw/zinc/52/23/84/1031522384.db2.gz RSVVESHZGDKLGS-UHFFFAOYSA-N -1 0 340.757 3.638 20 0 EHADRM CCOc1ccc(S(=O)(=O)Nc2cc(F)cc(Cl)c2)cc1 ZINC000477418142 1031547946 /nfs/dbraw/zinc/54/79/46/1031547946.db2.gz XFIYBKFJYSYXQU-UHFFFAOYSA-N -1 0 329.780 3.679 20 0 EHADRM Cc1ccc(Nc2c(N)ccc(Br)c2F)cc1C(=O)[O-] ZINC001211608509 1031559258 /nfs/dbraw/zinc/55/92/58/1031559258.db2.gz XPOJPKKPCPUVCJ-UHFFFAOYSA-N -1 0 339.164 3.921 20 0 EHADRM O=C(Cc1ccc(O)c(F)c1)N1CCC[C@H]1CCc1ccccc1 ZINC000448738441 1031560662 /nfs/dbraw/zinc/56/06/62/1031560662.db2.gz OKWDOVLARGLVKJ-KRWDZBQOSA-N -1 0 327.399 3.698 20 0 EHADRM CC[C@@H](Cc1ccc(NCc2c(C3CC3)cnn2C)cc1)C(=O)[O-] ZINC000904015185 1031600127 /nfs/dbraw/zinc/60/01/27/1031600127.db2.gz IAQXYPVYAIGRCI-AWEZNQCLSA-N -1 0 327.428 3.563 20 0 EHADRM C[C@H](Sc1ccc(NCc2cccc3c2CCOC3)cc1)C(=O)[O-] ZINC000904017156 1031606880 /nfs/dbraw/zinc/60/68/80/1031606880.db2.gz IJPNIIKWLOTKBX-ZDUSSCGKSA-N -1 0 343.448 3.937 20 0 EHADRM CC(C)[C@@H](NC(=O)CC1(C(=O)[O-])CCCC1)c1ccc(F)cc1F ZINC000343616429 1031644559 /nfs/dbraw/zinc/64/45/59/1031644559.db2.gz TVGBVYROYLWGSE-MRXNPFEDSA-N -1 0 339.382 3.813 20 0 EHADRM CCn1c(CN[C@@H](CC(=O)[O-])c2ccccc2F)nc2ccccc21 ZINC000904044491 1031661825 /nfs/dbraw/zinc/66/18/25/1031661825.db2.gz BCPPFPCPRAQETP-INIZCTEOSA-N -1 0 341.386 3.501 20 0 EHADRM O=S(=O)([N-]c1cc(F)c(F)c(F)c1)c1cc(F)ccc1Cl ZINC000130451121 1031695832 /nfs/dbraw/zinc/69/58/32/1031695832.db2.gz YXTDTHSKSOWJHM-UHFFFAOYSA-N -1 0 339.697 3.697 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1ccc(Cl)c(Br)c1 ZINC000650794671 1031713926 /nfs/dbraw/zinc/71/39/26/1031713926.db2.gz DLSBYNQPKRKHGS-PRHODGIISA-N -1 0 332.625 3.540 20 0 EHADRM COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)Cc1ccc(O)c(F)c1 ZINC000448823418 1031726979 /nfs/dbraw/zinc/72/69/79/1031726979.db2.gz MBVWTUMMEPJAOG-SFHVURJKSA-N -1 0 343.398 3.618 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)F)cc1 ZINC000005262309 1031735914 /nfs/dbraw/zinc/73/59/14/1031735914.db2.gz PRNTVDHJNOHOPJ-UHFFFAOYSA-N -1 0 327.352 3.651 20 0 EHADRM O=C([O-])N[C@H]1C[C@H](Nc2ccc3oc(C4CC4)nc3c2)C12CCC2 ZINC000904211165 1031833498 /nfs/dbraw/zinc/83/34/98/1031833498.db2.gz GUKKFVDIOICJDV-GJZGRUSLSA-N -1 0 327.384 3.696 20 0 EHADRM O=C([O-])C1CCN(c2ccc(CNc3ccc4c(c3)CCC4)o2)CC1 ZINC000904211062 1031834377 /nfs/dbraw/zinc/83/43/77/1031834377.db2.gz DWXOYESZLLUGDD-UHFFFAOYSA-N -1 0 340.423 3.681 20 0 EHADRM O=C([O-])N[C@H]1C[C@H](Nc2ccc(OCC(F)(F)F)cc2)C12CCC2 ZINC000904195187 1031841816 /nfs/dbraw/zinc/84/18/16/1031841816.db2.gz QZRHRTBCCDDFTM-STQMWFEESA-N -1 0 344.333 3.618 20 0 EHADRM O=C([O-])N[C@@H]1C[C@@H](Nc2cccc(OCC(F)(F)F)c2)C12CCC2 ZINC000904199373 1031845501 /nfs/dbraw/zinc/84/55/01/1031845501.db2.gz IIJJYIVELKVAAH-CHWSQXEVSA-N -1 0 344.333 3.618 20 0 EHADRM O=C([O-])N[C@@H]1C[C@H](Nc2cc(Cl)cc3cccnc32)C12CCC2 ZINC000904230084 1031866813 /nfs/dbraw/zinc/86/68/13/1031866813.db2.gz XXWBVSVOWMBGJW-UONOGXRCSA-N -1 0 331.803 3.879 20 0 EHADRM CC(C)OC(=O)C[C@H](N=c1nc(C(C)C)[n-]s1)c1ccccc1 ZINC000537834010 1031949320 /nfs/dbraw/zinc/94/93/20/1031949320.db2.gz KHUDBVGYQTYKOD-AWEZNQCLSA-N -1 0 333.457 3.578 20 0 EHADRM Cc1cnc([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)s1 ZINC000180803754 1031952208 /nfs/dbraw/zinc/95/22/08/1031952208.db2.gz IVTGPYMZHMZBAK-UHFFFAOYSA-N -1 0 337.253 3.700 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2cncc3ccccc32)cc1C ZINC000533939811 1031992718 /nfs/dbraw/zinc/99/27/18/1031992718.db2.gz WAXBXJKXBKRTPG-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(C(=O)[O-])c(C)n2)cc1C ZINC000448986523 1032018467 /nfs/dbraw/zinc/01/84/67/1032018467.db2.gz KVECCVBTJVZQOY-SFHVURJKSA-N -1 0 338.407 3.682 20 0 EHADRM CCCc1nc(=NC(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)s[n-]1 ZINC000584260806 1032021655 /nfs/dbraw/zinc/02/16/55/1032021655.db2.gz VYJAHYKJQZMMQK-TZMCWYRMSA-N -1 0 348.447 3.509 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)CCCCC1 ZINC000574619720 1033322546 /nfs/dbraw/zinc/32/25/46/1033322546.db2.gz FEVFEZZNKUWSPQ-KBPBESRZSA-N -1 0 335.831 3.737 20 0 EHADRM Fc1cccc(Cc2n[n-]c(=NCc3ccc(Cl)c(F)c3)o2)c1 ZINC000537490864 1033378046 /nfs/dbraw/zinc/37/80/46/1033378046.db2.gz RPEJPLGRRSCUED-UHFFFAOYSA-N -1 0 335.741 3.626 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1ccc2c(c1)OC(C)(C)C(=O)N2 ZINC001211624675 1033395614 /nfs/dbraw/zinc/39/56/14/1033395614.db2.gz PWGQMJUQFPOBBT-UHFFFAOYSA-N -1 0 326.352 3.546 20 0 EHADRM O=S(=O)([N-]c1c(O)cccc1F)c1cc(Cl)sc1Cl ZINC000608004142 1033436196 /nfs/dbraw/zinc/43/61/96/1033436196.db2.gz ATRQRHNUSMOIJF-UHFFFAOYSA-N -1 0 342.200 3.700 20 0 EHADRM C[C@@H](CNC(=O)c1c([O-])cc(Cl)cc1Cl)c1ccncc1 ZINC000080036043 1033495002 /nfs/dbraw/zinc/49/50/02/1033495002.db2.gz UZEPJEQTIXESMO-VIFPVBQESA-N -1 0 325.195 3.628 20 0 EHADRM O=C([O-])c1ccc(-c2cc(F)ccc2OC[C@@H]2CCCCO2)cn1 ZINC000516315663 1033504616 /nfs/dbraw/zinc/50/46/16/1033504616.db2.gz REOOFXODHFNXIR-AWEZNQCLSA-N -1 0 331.343 3.534 20 0 EHADRM CCOc1ccc(CN=c2[n-]nc(C(C)(C)C)s2)cc1OCC ZINC000537506162 1033510732 /nfs/dbraw/zinc/51/07/32/1033510732.db2.gz JDJVAEYAISOOEG-UHFFFAOYSA-N -1 0 335.473 3.667 20 0 EHADRM Cc1ccc2oc(N3CCC[C@H]3c3nc(C(=O)[O-])cs3)nc2c1 ZINC000574813747 1033567837 /nfs/dbraw/zinc/56/78/37/1033567837.db2.gz IYOLFTASQWAXFU-LBPRGKRZSA-N -1 0 329.381 3.632 20 0 EHADRM COC(=O)c1cc(F)c(Nc2ccc(C(=O)[O-])cc2C)c(C)c1F ZINC001211626520 1033584591 /nfs/dbraw/zinc/58/45/91/1033584591.db2.gz JCNXBJMSUZZUPZ-UHFFFAOYSA-N -1 0 335.306 3.810 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccco2)s1)N1CCC(C2CCCC2)CC1 ZINC000608286099 1033587938 /nfs/dbraw/zinc/58/79/38/1033587938.db2.gz IVYCSTYRCRLQCH-UHFFFAOYSA-N -1 0 346.456 3.654 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1cc(Cl)ccc1Cl ZINC000608340085 1033602977 /nfs/dbraw/zinc/60/29/77/1033602977.db2.gz JIXDCYSAVDEAES-WCQGTBRESA-N -1 0 342.222 3.838 20 0 EHADRM C[C@@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1cc2ccccc2s1 ZINC000608340225 1033611534 /nfs/dbraw/zinc/61/15/34/1033611534.db2.gz MJRXOBJJHFAWRZ-BNOWGMLFSA-N -1 0 329.421 3.746 20 0 EHADRM Cc1nn(C)c([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c1C ZINC000107037305 1033639937 /nfs/dbraw/zinc/63/99/37/1033639937.db2.gz WEROCMRMQOZUJF-UHFFFAOYSA-N -1 0 341.436 3.505 20 0 EHADRM O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1c([O-])cc(F)cc1F ZINC000608373227 1033642158 /nfs/dbraw/zinc/64/21/58/1033642158.db2.gz YHTNEOYGFZNQNO-ZDUSSCGKSA-N -1 0 331.240 3.704 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000608340528 1033644912 /nfs/dbraw/zinc/64/49/12/1033644912.db2.gz NDEMEYZHKQQRQO-LSDHHAIUSA-N -1 0 347.386 3.753 20 0 EHADRM CN(C(=O)C[C@](C)(C(=O)[O-])c1ccccc1)[C@@H]1CCc2ccccc21 ZINC000326670415 1033663187 /nfs/dbraw/zinc/66/31/87/1033663187.db2.gz JBTGSHLISYEXJS-NQIIRXRSSA-N -1 0 337.419 3.565 20 0 EHADRM O=C(CSCc1cc(=O)[nH]c(C2CC2)n1)Nc1cccc(Cl)c1 ZINC000574907196 1033676843 /nfs/dbraw/zinc/67/68/43/1033676843.db2.gz XJDIAKGDOGOTTM-UHFFFAOYSA-N -1 0 349.843 3.585 20 0 EHADRM O=C([O-])C[C@H]1CCCN(c2nc3cc(Cl)cc(Cl)c3o2)C1 ZINC000574860577 1033682590 /nfs/dbraw/zinc/68/25/90/1033682590.db2.gz OBCBPJPAGBLNBQ-MRVPVSSYSA-N -1 0 329.183 3.826 20 0 EHADRM COc1ccc(C)cc1NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000063809025 1033737207 /nfs/dbraw/zinc/73/72/07/1033737207.db2.gz ZCAGGNDYSCLSFM-UHFFFAOYSA-N -1 0 341.392 3.567 20 0 EHADRM CCCCn1ccnc1-c1cccc(NC(=O)[C@@H](C(=O)[O-])C(C)C)c1 ZINC000574992812 1033754832 /nfs/dbraw/zinc/75/48/32/1033754832.db2.gz YNHQOVJYJRKQQV-INIZCTEOSA-N -1 0 343.427 3.646 20 0 EHADRM Cc1ccc(-c2[n-][nH]c(=NC(=O)c3ccn(C(C)C)c3C)c2C)o1 ZINC000450177683 1033859069 /nfs/dbraw/zinc/85/90/69/1033859069.db2.gz MQAJMJGUGBBPFL-UHFFFAOYSA-N -1 0 326.400 3.652 20 0 EHADRM CCS(=O)(=O)c1ccc(-c2ccc(OC(C)C)cc2)c(C(=O)[O-])c1 ZINC000514614786 1034006390 /nfs/dbraw/zinc/00/63/90/1034006390.db2.gz KQAIHARLLYVLKQ-UHFFFAOYSA-N -1 0 348.420 3.633 20 0 EHADRM CCOC(=O)c1csc(=N[C@H](C)c2nc(C(C)(C)C)cs2)[n-]1 ZINC000450318968 1034126196 /nfs/dbraw/zinc/12/61/96/1034126196.db2.gz OWOQRBARVKGSNM-SECBINFHSA-N -1 0 339.486 3.669 20 0 EHADRM Cc1cc(C)n(-c2ccc([C@@H](C)N=c3[n-]nc(C(C)C)o3)cc2)n1 ZINC000450380728 1034211757 /nfs/dbraw/zinc/21/17/57/1034211757.db2.gz SNTSHLMIBMIFSZ-CQSZACIVSA-N -1 0 325.416 3.591 20 0 EHADRM O=S(=O)([N-]c1nc2c(cc(F)c(F)c2F)s1)c1ccccc1 ZINC000057733806 1034225016 /nfs/dbraw/zinc/22/50/16/1034225016.db2.gz DWKIACAEXVNFAM-UHFFFAOYSA-N -1 0 344.339 3.514 20 0 EHADRM O=c1[nH]c(-c2ccc([O-])c(Cl)c2)nc2cc(C(F)(F)F)ccc12 ZINC000119827892 1034232009 /nfs/dbraw/zinc/23/20/09/1034232009.db2.gz XANMFUJIXWAHEX-UHFFFAOYSA-N -1 0 340.688 3.968 20 0 EHADRM CSc1cccc(S(=O)(=O)[N-]c2cccc3ccncc32)c1 ZINC000548868721 1034235682 /nfs/dbraw/zinc/23/56/82/1034235682.db2.gz PJAYIYDORPMRIB-UHFFFAOYSA-N -1 0 330.434 3.758 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]C(=O)CCCC(C)(C)C)c1 ZINC000171479882 1034415859 /nfs/dbraw/zinc/41/58/59/1034415859.db2.gz AGDQXOUTVOOVOU-UHFFFAOYSA-N -1 0 348.468 3.565 20 0 EHADRM C[C@@H](CC(=O)N=c1ccc(C2CC2)n[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000604707754 1034461723 /nfs/dbraw/zinc/46/17/23/1034461723.db2.gz JNEGQHPTOOCMFO-NSHDSACASA-N -1 0 349.356 3.927 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000450532386 1034465437 /nfs/dbraw/zinc/46/54/37/1034465437.db2.gz OSTGMJHURVXYIT-LEUOFYLZSA-N -1 0 329.440 3.672 20 0 EHADRM CC1(C)CN(C(=O)c2ccc(C(=O)[O-])s2)C[C@H]1c1ccccc1 ZINC000450537351 1034513497 /nfs/dbraw/zinc/51/34/97/1034513497.db2.gz COWMLIDAULWFKV-ZDUSSCGKSA-N -1 0 329.421 3.712 20 0 EHADRM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc2ccccc2n1 ZINC000604837289 1034521406 /nfs/dbraw/zinc/52/14/06/1034521406.db2.gz IYGUGXUSQUQCOF-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM Cc1nn(-c2ccccc2)cc1CN=c1[n-]nc(-c2ccccc2)s1 ZINC000511331044 1034553071 /nfs/dbraw/zinc/55/30/71/1034553071.db2.gz BTAMKIPUGDZSPR-UHFFFAOYSA-N -1 0 347.447 3.733 20 0 EHADRM COc1cc2c(cc1F)CC[C@H]2Nc1ncc(C(=O)[O-])cc1Cl ZINC000647454625 1034585885 /nfs/dbraw/zinc/58/58/85/1034585885.db2.gz XARPAZFPCMRWHT-CYBMUJFWSA-N -1 0 336.750 3.680 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)C=Cc2ccccc2F)cc1C ZINC000060498327 1034627305 /nfs/dbraw/zinc/62/73/05/1034627305.db2.gz BNSMKXCHGYTSRY-CSKARUKUSA-N -1 0 333.384 3.801 20 0 EHADRM O=C(c1ccc(F)cc1[O-])N1CCC[C@]2(CCc3ccccc3O2)C1 ZINC000529904207 1034736585 /nfs/dbraw/zinc/73/65/85/1034736585.db2.gz BGFJKHURNXCZGY-FQEVSTJZSA-N -1 0 341.382 3.531 20 0 EHADRM CC1(C)Cc2cc(C(=O)N=c3cccn[n-]3)sc2-c2ccccc21 ZINC000605467938 1034748670 /nfs/dbraw/zinc/74/86/70/1034748670.db2.gz MBDPBNVVSJKXIN-UHFFFAOYSA-N -1 0 335.432 3.713 20 0 EHADRM COc1cc(CN(C)Cc2nc(=O)c3sccc3[n-]2)ccc1Cl ZINC000450765636 1034759461 /nfs/dbraw/zinc/75/94/61/1034759461.db2.gz XLVFWWPZIGMGEX-UHFFFAOYSA-N -1 0 349.843 3.691 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(F)c2Cl)s1 ZINC000076760439 1034763583 /nfs/dbraw/zinc/76/35/83/1034763583.db2.gz DEBJSOQUOSUYET-UHFFFAOYSA-N -1 0 333.793 3.543 20 0 EHADRM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc(OC)cc1OC ZINC000605492473 1034769482 /nfs/dbraw/zinc/76/94/82/1034769482.db2.gz JQVWAPHYYSFEAO-UHFFFAOYSA-N -1 0 349.452 3.629 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1)C(=O)[O-] ZINC000601983032 1034847919 /nfs/dbraw/zinc/84/79/19/1034847919.db2.gz FIBZMNBGKSUELB-PKFCDNJMSA-N -1 0 341.860 3.502 20 0 EHADRM CCS[C@@H]1CCC[C@H](NC(=O)c2c(C)ccc(C)c2C(=O)[O-])C1 ZINC000601987963 1034849190 /nfs/dbraw/zinc/84/91/90/1034849190.db2.gz CXAWTKIXQJCEAK-UONOGXRCSA-N -1 0 335.469 3.796 20 0 EHADRM CCc1cnc([N-]S(=O)(=O)Cc2ccc(C(F)F)cc2)s1 ZINC000450970443 1034996906 /nfs/dbraw/zinc/99/69/06/1034996906.db2.gz NKBUVCLFVSXGMR-UHFFFAOYSA-N -1 0 332.397 3.585 20 0 EHADRM CCCc1cnc([N-]S(=O)(=O)Cc2ccc(C(F)F)cc2)s1 ZINC000450988855 1035001907 /nfs/dbraw/zinc/00/19/07/1035001907.db2.gz CNSWAKSVCQYZLK-UHFFFAOYSA-N -1 0 346.424 3.975 20 0 EHADRM CCCCn1ncc([N-]S(=O)(=O)c2sccc2Cl)c1C ZINC000451025133 1035042898 /nfs/dbraw/zinc/04/28/98/1035042898.db2.gz PLDXDASXLBJFME-UHFFFAOYSA-N -1 0 333.866 3.507 20 0 EHADRM O=C([O-])c1ccc(C(=O)/C=C/c2cccc3c2OCCCO3)s1 ZINC000053106343 1035079357 /nfs/dbraw/zinc/07/93/57/1035079357.db2.gz LPFDTIQSEONUDJ-AATRIKPKSA-N -1 0 330.361 3.504 20 0 EHADRM CCCc1cc(C(=O)N=c2[n-]nc(C(F)F)s2)ccc1Cl ZINC000472460045 1035183726 /nfs/dbraw/zinc/18/37/26/1035183726.db2.gz RQZRCENNYJQMTJ-UHFFFAOYSA-N -1 0 331.775 3.756 20 0 EHADRM Cc1ccnc(Cl)c1NS(=O)(=O)c1ccc(F)cc1Cl ZINC000235823003 1035205960 /nfs/dbraw/zinc/20/59/60/1035205960.db2.gz WSQZUWKIXJSZOW-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N(Cc2ccc(C)o2)C2CC2)s1 ZINC000613001750 1035346909 /nfs/dbraw/zinc/34/69/09/1035346909.db2.gz FLEDLYZZGHMWLU-UHFFFAOYSA-N -1 0 348.472 3.962 20 0 EHADRM Cn1cc2c(n1)CCC[C@@H]2N=c1[n-]nc(-c2ccccc2Cl)s1 ZINC000548972924 1035352941 /nfs/dbraw/zinc/35/29/41/1035352941.db2.gz OZNJTQXSFXQQCA-ZDUSSCGKSA-N -1 0 345.859 3.503 20 0 EHADRM CCC[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1sccc1Cl ZINC000835947676 1035439918 /nfs/dbraw/zinc/43/99/18/1035439918.db2.gz RXHXWWHJAHHNDZ-SNVBAGLBSA-N -1 0 337.894 3.669 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)NC[C@@H]1CCCCC1(F)F)C1CCCCC1 ZINC000414082553 1035456981 /nfs/dbraw/zinc/45/69/81/1035456981.db2.gz CHHWFIMCCXJISK-WMLDXEAASA-N -1 0 345.430 3.989 20 0 EHADRM CN(C(=O)N(CCC(=O)[O-])Cc1cccc(Cl)c1)C1CCCC1 ZINC000571464855 1035501374 /nfs/dbraw/zinc/50/13/74/1035501374.db2.gz LVHSQMGYQUUWIW-UHFFFAOYSA-N -1 0 338.835 3.611 20 0 EHADRM Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000540695943 1035598357 /nfs/dbraw/zinc/59/83/57/1035598357.db2.gz DEYFDUWQLSONBO-UHFFFAOYSA-N -1 0 335.425 3.536 20 0 EHADRM Cc1ccc(CCC(=O)N[C@H](CC(=O)[O-])C2CCCCC2)c(C)c1 ZINC000540712169 1035615045 /nfs/dbraw/zinc/61/50/45/1035615045.db2.gz JGGQLNGRCZEKKI-GOSISDBHSA-N -1 0 331.456 3.776 20 0 EHADRM Cc1ccc(/C=C/S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)cc1 ZINC000055582533 1035615061 /nfs/dbraw/zinc/61/50/61/1035615061.db2.gz NALZYXXRLAKBAD-WYMLVPIESA-N -1 0 339.420 3.593 20 0 EHADRM COc1cc(C(=O)N[C@@H](CC(=O)[O-])C2CCCCC2)ccc1Cl ZINC000431804596 1035619268 /nfs/dbraw/zinc/61/92/68/1035619268.db2.gz KVEBXASMPKQBLA-AWEZNQCLSA-N -1 0 339.819 3.502 20 0 EHADRM CC(C)Cc1n[n-]c(=NCc2cc(Cl)ccc2Br)o1 ZINC000540791385 1035685826 /nfs/dbraw/zinc/68/58/26/1035685826.db2.gz WJGNDBMMBUSZAS-UHFFFAOYSA-N -1 0 344.640 3.718 20 0 EHADRM CC(C)CCc1n[n-]c(=NCc2ccc(F)cc2C(F)(F)F)o1 ZINC000540793232 1035686174 /nfs/dbraw/zinc/68/61/74/1035686174.db2.gz SHIOUEMSZURDQS-UHFFFAOYSA-N -1 0 331.313 3.850 20 0 EHADRM Cc1ccc(F)c(CN=c2[n-]nc(Cc3ccc(Cl)cc3)o2)c1 ZINC000540794336 1035687048 /nfs/dbraw/zinc/68/70/48/1035687048.db2.gz NERJVSBZCYUMBP-UHFFFAOYSA-N -1 0 331.778 3.795 20 0 EHADRM Fc1ccc(Cc2n[n-]c(=NCc3c(F)cccc3Cl)o2)cc1 ZINC000540792271 1035687087 /nfs/dbraw/zinc/68/70/87/1035687087.db2.gz PGGRBJCAAUOPJP-UHFFFAOYSA-N -1 0 335.741 3.626 20 0 EHADRM O=C(N=c1nc(-c2ccccc2)[n-]s1)c1ccc(C(F)F)cc1 ZINC000588029208 1035688663 /nfs/dbraw/zinc/68/86/63/1035688663.db2.gz RKGGGAUNWCCASB-UHFFFAOYSA-N -1 0 331.347 3.817 20 0 EHADRM C[C@H]1C[C@H](c2cccnc2)N(C(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000186836817 1035726955 /nfs/dbraw/zinc/72/69/55/1035726955.db2.gz FIDRDIQPLSHVKU-ZUZCIYMTSA-N -1 0 334.778 3.803 20 0 EHADRM CCOc1ccccc1CNC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1 ZINC000588176534 1035801367 /nfs/dbraw/zinc/80/13/67/1035801367.db2.gz DVTDCXHHSHECAH-FQEVSTJZSA-N -1 0 347.455 3.763 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1O ZINC000174257332 1035862691 /nfs/dbraw/zinc/86/26/91/1035862691.db2.gz OLNRCYYLZVRAJC-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM Cc1cccc2sc([N-]S(=O)(=O)c3cccc(C)c3F)nc21 ZINC000541006481 1035908195 /nfs/dbraw/zinc/90/81/95/1035908195.db2.gz QPNJZCFDIOYTPH-UHFFFAOYSA-N -1 0 336.413 3.853 20 0 EHADRM Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1csc2ccccc21 ZINC000508190388 1036038067 /nfs/dbraw/zinc/03/80/67/1036038067.db2.gz KMEDMCLSWVYHHE-UHFFFAOYSA-N -1 0 343.433 3.887 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C2CCC(c3ccccc3)CC2)C1 ZINC000263110657 1036074252 /nfs/dbraw/zinc/07/42/52/1036074252.db2.gz BSFGEOHQMURSNG-IWCVFHTOSA-N -1 0 329.440 3.530 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(c2nccc3cc(Br)ccc32)C1 ZINC000263112195 1036095754 /nfs/dbraw/zinc/09/57/54/1036095754.db2.gz DONYEFVIKWOUQO-JQWIXIFHSA-N -1 0 349.228 3.544 20 0 EHADRM CC(C)Cn1cnc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1 ZINC000174912647 1036119920 /nfs/dbraw/zinc/11/99/20/1036119920.db2.gz XUQKEQRFCZVNDZ-UHFFFAOYSA-N -1 0 348.255 3.647 20 0 EHADRM Cc1onc(-c2ccccn2)c1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000376341342 1036166780 /nfs/dbraw/zinc/16/67/80/1036166780.db2.gz ZSILOAGJYIARNV-UHFFFAOYSA-N -1 0 347.733 3.795 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)nn1[C@@H](C)C1CC1 ZINC000541307604 1036177164 /nfs/dbraw/zinc/17/71/64/1036177164.db2.gz NQCCXXCIDTWEGA-HNNXBMFYSA-N -1 0 347.484 3.889 20 0 EHADRM CCC(CC)(CC(=O)Nc1ccc(Cl)c(NC(C)=O)c1)C(=O)[O-] ZINC000063640229 1036184652 /nfs/dbraw/zinc/18/46/52/1036184652.db2.gz KHZUEVPDPLIQPE-UHFFFAOYSA-N -1 0 340.807 3.518 20 0 EHADRM CC(C)OCc1ccc(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC000263144580 1036362770 /nfs/dbraw/zinc/36/27/70/1036362770.db2.gz MYHNVLDDDYSVBU-MRXNPFEDSA-N -1 0 335.444 3.621 20 0 EHADRM O=C([O-])c1ccccc1CC[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000572543282 1036408661 /nfs/dbraw/zinc/40/86/61/1036408661.db2.gz BSPYRZXVNLCTGO-GOSISDBHSA-N -1 0 345.826 3.654 20 0 EHADRM CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000589437448 1036414048 /nfs/dbraw/zinc/41/40/48/1036414048.db2.gz OIBFPVWLEYWFMU-UHFFFAOYSA-N -1 0 345.342 3.692 20 0 EHADRM CCCc1cc([N-]S(=O)(=O)c2ccc(SC)c(Cl)c2)n[nH]1 ZINC000464412858 1036418045 /nfs/dbraw/zinc/41/80/45/1036418045.db2.gz AWQFQLUTJVHHIY-UHFFFAOYSA-N -1 0 345.877 3.538 20 0 EHADRM CC(C)(C)[C@H]1C[C@H](N=c2[n-]nc(Cc3ccc(F)cc3)s2)CCO1 ZINC000541577973 1036471566 /nfs/dbraw/zinc/47/15/66/1036471566.db2.gz NCYASYJOIZNCSP-HUUCEWRRSA-N -1 0 349.475 3.696 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])Cc1cc(-c2ccco2)on1 ZINC000572781904 1036496485 /nfs/dbraw/zinc/49/64/85/1036496485.db2.gz BPJLFSZBDNPIDU-INIZCTEOSA-N -1 0 340.379 3.973 20 0 EHADRM COc1cc(-c2ccccc2CCC(=O)[O-])cnc1C(F)(F)F ZINC000572781605 1036496695 /nfs/dbraw/zinc/49/66/95/1036496695.db2.gz WEAOUDYHYPMPDI-UHFFFAOYSA-N -1 0 325.286 3.793 20 0 EHADRM CCn1cc(-c2cc(F)ccc2OCC2CCOCC2)cc1C(=O)[O-] ZINC000572781504 1036497072 /nfs/dbraw/zinc/49/70/72/1036497072.db2.gz QXXUORDKLWIYSN-UHFFFAOYSA-N -1 0 347.386 3.818 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccccc2SC(F)F)C1 ZINC000263164333 1036563669 /nfs/dbraw/zinc/56/36/69/1036563669.db2.gz QZOBTURMRZMLCA-NXEZZACHSA-N -1 0 344.383 3.576 20 0 EHADRM CC(C)Sc1ccc(C(=O)N=c2nc3cc(Cl)ccn3[n-]2)cc1 ZINC000464634546 1036598555 /nfs/dbraw/zinc/59/85/55/1036598555.db2.gz HOOAMGRPSOJRNE-UHFFFAOYSA-N -1 0 346.843 3.557 20 0 EHADRM CN=c1[n-]nc(SCCCOc2ccc3ccccc3c2)s1 ZINC000589851184 1036642653 /nfs/dbraw/zinc/64/26/53/1036642653.db2.gz ZTYJUKPOGSCGPU-UHFFFAOYSA-N -1 0 331.466 3.716 20 0 EHADRM CCC[C@H](CNC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1)C(=O)[O-] ZINC000263220809 1036644174 /nfs/dbraw/zinc/64/41/74/1036644174.db2.gz QQTLDBGIMSMHAV-SUMWQHHRSA-N -1 0 343.423 3.569 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)CCc2ccc3ccccc3c2)s[n-]1 ZINC000589937765 1036665296 /nfs/dbraw/zinc/66/52/96/1036665296.db2.gz WKDIIWODDHFGLL-UHFFFAOYSA-N -1 0 339.464 3.982 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)Cc1csc2ccc(Cl)cc12)C1CC1 ZINC000263284609 1036751400 /nfs/dbraw/zinc/75/14/00/1036751400.db2.gz UBIURRQOVOKXOW-VIFPVBQESA-N -1 0 337.828 3.561 20 0 EHADRM CSc1ccc(C)c(NC(=O)N=c2nc(C(C)(C)C)[n-]s2)c1 ZINC000539455652 1036776808 /nfs/dbraw/zinc/77/68/08/1036776808.db2.gz VJRWSOCPPVGYBZ-UHFFFAOYSA-N -1 0 336.486 3.932 20 0 EHADRM CC(C)c1cc(C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c2ccccc2n1 ZINC000263383164 1036839710 /nfs/dbraw/zinc/83/97/10/1036839710.db2.gz XPWBCXNRZUHLKW-ZIAGYGMSSA-N -1 0 340.423 3.541 20 0 EHADRM CC(C)(CCC(=O)[O-])Nc1nnc(-c2ccccc2Cl)s1 ZINC000263431891 1036904112 /nfs/dbraw/zinc/90/41/12/1036904112.db2.gz TXDJJCPGALWKOM-UHFFFAOYSA-N -1 0 325.821 3.914 20 0 EHADRM CCN(CC1CCC1)C(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000572939186 1036922522 /nfs/dbraw/zinc/92/25/22/1036922522.db2.gz AAYIAKXZOAMOHZ-UHFFFAOYSA-N -1 0 336.486 3.651 20 0 EHADRM Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000666367340 1036928825 /nfs/dbraw/zinc/92/88/25/1036928825.db2.gz LJORKOPDPDRCGJ-NSHDSACASA-N -1 0 343.427 3.695 20 0 EHADRM CC(C)CCc1ccc(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)cc1 ZINC000590695947 1037014222 /nfs/dbraw/zinc/01/42/22/1037014222.db2.gz JDAVWTHCUOIMIW-UHFFFAOYSA-N -1 0 345.468 3.743 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@@]2(C(=O)[O-])CC=CCC2)C1 ZINC000653282587 1037021761 /nfs/dbraw/zinc/02/17/61/1037021761.db2.gz CGMGZJSOPBDGHW-JXXFODFXSA-N -1 0 327.424 3.511 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N[C@H](CC(=O)[O-])c1ccccc1C ZINC000263521174 1037035948 /nfs/dbraw/zinc/03/59/48/1037035948.db2.gz HHPIWGCAFNRGHO-MRXNPFEDSA-N -1 0 329.396 3.966 20 0 EHADRM CCc1cccc(CC(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC000263528825 1037048187 /nfs/dbraw/zinc/04/81/87/1037048187.db2.gz LKFBREGIVKVUFC-AWEZNQCLSA-N -1 0 325.408 3.693 20 0 EHADRM CC(C)(C)Cc1n[n-]c(=NCc2csc(-c3ccccc3)n2)o1 ZINC000539692365 1037082183 /nfs/dbraw/zinc/08/21/83/1037082183.db2.gz SGVBTRNZIZZLDZ-UHFFFAOYSA-N -1 0 328.441 3.816 20 0 EHADRM Cc1ccc(F)c(CN=c2[n-]nc(CCCc3cccs3)o2)c1 ZINC000539692706 1037082379 /nfs/dbraw/zinc/08/23/79/1037082379.db2.gz PWIZIKAOJVPNIB-UHFFFAOYSA-N -1 0 331.416 3.788 20 0 EHADRM Fc1cccc(Cc2n[n-]c(=NCc3cccc(F)c3F)s2)c1 ZINC000539694170 1037085466 /nfs/dbraw/zinc/08/54/66/1037085466.db2.gz WDOSSXNEFFPLIP-UHFFFAOYSA-N -1 0 335.354 3.580 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)CCCC1 ZINC000263545677 1037107634 /nfs/dbraw/zinc/10/76/34/1037107634.db2.gz TYGKDJUPZRRNAH-ZDUSSCGKSA-N -1 0 347.308 3.620 20 0 EHADRM Cc1cc(CCc2ccc(OCC(=O)[O-])cc2)nc2cc(F)ccc12 ZINC000542187103 1037148523 /nfs/dbraw/zinc/14/85/23/1037148523.db2.gz HOWLDGDRZOIWTN-UHFFFAOYSA-N -1 0 339.366 3.931 20 0 EHADRM COc1ccc(NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc1Cl ZINC000573053911 1037172178 /nfs/dbraw/zinc/17/21/78/1037172178.db2.gz KBKFGTZYBUBCCQ-GFCCVEGCSA-N -1 0 342.823 3.750 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cnoc2C2CC2)ccc1C(F)(F)F ZINC000414384117 1037184911 /nfs/dbraw/zinc/18/49/11/1037184911.db2.gz BLCLUOXCLNETPO-UHFFFAOYSA-N -1 0 346.330 3.680 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 ZINC000089286950 1037207089 /nfs/dbraw/zinc/20/70/89/1037207089.db2.gz ZTBYLTLWNMNWNR-AWEZNQCLSA-N -1 0 345.420 3.593 20 0 EHADRM C[C@@H](NC(=O)NCc1cccc(C(=O)[O-])c1)c1cccc(C2CC2)c1 ZINC000666549011 1037215283 /nfs/dbraw/zinc/21/52/83/1037215283.db2.gz PTNOOBNWBXYTBW-CYBMUJFWSA-N -1 0 338.407 3.823 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)C1(c2cccc(Cl)c2)CCCC1 ZINC000089288686 1037238635 /nfs/dbraw/zinc/23/86/35/1037238635.db2.gz LPQXRUTVKZPJDQ-UHFFFAOYSA-N -1 0 327.833 3.624 20 0 EHADRM O=C(c1cc(Cl)cc(Br)c1[O-])N1CCCCCC1 ZINC000176935790 1037268349 /nfs/dbraw/zinc/26/83/49/1037268349.db2.gz JUEGCDZQFYHDEN-UHFFFAOYSA-N -1 0 332.625 3.824 20 0 EHADRM O=C(c1ccc(Cl)cc1[O-])N1C[C@H]2CCCN2c2ccccc21 ZINC000539843246 1037270640 /nfs/dbraw/zinc/27/06/40/1037270640.db2.gz ULWHUKSAAJEZRL-CYBMUJFWSA-N -1 0 328.799 3.675 20 0 EHADRM CC1(C)CC[C@H](NC(=O)Cc2ccccc2C(=O)[O-])c2ccccc21 ZINC000347370066 1037299815 /nfs/dbraw/zinc/29/98/15/1037299815.db2.gz OIWGAUHBNWHYAD-SFHVURJKSA-N -1 0 337.419 3.856 20 0 EHADRM COc1ccc(NC(=O)c2cccc(Br)c2[O-])c(C)c1 ZINC000539889751 1037312525 /nfs/dbraw/zinc/31/25/25/1037312525.db2.gz PPZYUJHLABNSHB-UHFFFAOYSA-N -1 0 336.185 3.724 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC(c2ccccc2C)CC1 ZINC000659121768 1037315169 /nfs/dbraw/zinc/31/51/69/1037315169.db2.gz KTPMWLPXBGRQCI-UHFFFAOYSA-N -1 0 327.380 3.614 20 0 EHADRM CSc1ccc(NC(=O)c2cccc(Br)c2[O-])cn1 ZINC000539889869 1037315346 /nfs/dbraw/zinc/31/53/46/1037315346.db2.gz SWBQZXKGQDZRCL-UHFFFAOYSA-N -1 0 339.214 3.524 20 0 EHADRM O=C([O-])c1sc2ccsc2c1CNC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000659133830 1037338663 /nfs/dbraw/zinc/33/86/63/1037338663.db2.gz CODWJVJUKYWGTQ-BBBLOLIVSA-N -1 0 335.450 3.713 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000659139968 1037356267 /nfs/dbraw/zinc/35/62/67/1037356267.db2.gz IKMFROAVZHUWRC-CQSZACIVSA-N -1 0 333.771 3.917 20 0 EHADRM CC(C)Oc1ccccc1[C@@H](C)NC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC000659139343 1037358502 /nfs/dbraw/zinc/35/85/02/1037358502.db2.gz BLCZBCXWCLSQCM-CQSZACIVSA-N -1 0 345.439 3.686 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)[C@H]1CCCC2(CC2)C1 ZINC000659142014 1037361974 /nfs/dbraw/zinc/36/19/74/1037361974.db2.gz KOTJQUDWKTYKIT-KRWDZBQOSA-N -1 0 329.440 3.850 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000659141532 1037362125 /nfs/dbraw/zinc/36/21/25/1037362125.db2.gz IPGLZUVEWBOVSA-FZKQIMNGSA-N -1 0 345.826 3.841 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1 ZINC000659144526 1037369533 /nfs/dbraw/zinc/36/95/33/1037369533.db2.gz IUPWRSQSYUHQCX-BRWVUGGUSA-N -1 0 335.488 3.942 20 0 EHADRM O=C(NC1CCN(c2ccccc2)CC1)c1cc(F)cc(Cl)c1[O-] ZINC000177100722 1037376951 /nfs/dbraw/zinc/37/69/51/1037376951.db2.gz ZZNWWCNBAFWDPN-UHFFFAOYSA-N -1 0 348.805 3.584 20 0 EHADRM Cc1oc(C)c(C(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)c1C ZINC000058037541 1037396132 /nfs/dbraw/zinc/39/61/32/1037396132.db2.gz JYSDWXMWQNHBBW-UHFFFAOYSA-N -1 0 345.420 3.827 20 0 EHADRM CC(C)c1ccc2c(c1)CN(C(=O)c1cccc(CC(=O)[O-])c1)CC2 ZINC000659169894 1037408785 /nfs/dbraw/zinc/40/87/85/1037408785.db2.gz FIHRWYDBFRGXNC-UHFFFAOYSA-N -1 0 337.419 3.636 20 0 EHADRM Cc1cc(C)cc(CNC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])c1 ZINC000659189439 1037443553 /nfs/dbraw/zinc/44/35/53/1037443553.db2.gz MTIBVXXEMOEPGV-AWEZNQCLSA-N -1 0 343.448 3.799 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)[C@@H](C)c2cccc(Cl)c2)n1 ZINC000659188900 1037454659 /nfs/dbraw/zinc/45/46/59/1037454659.db2.gz WPYVSRBQSPOTHS-SMDDNHRTSA-N -1 0 349.818 3.705 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc(Cl)ccc2F)[C@@H]2CCCC[C@@H]12 ZINC000659195844 1037465105 /nfs/dbraw/zinc/46/51/05/1037465105.db2.gz RGANADHOXCSCSC-YWPYICTPSA-N -1 0 339.794 3.585 20 0 EHADRM CC(C)[C@@H](C(=O)NC[C@@H](CC(=O)[O-])C1CC1)c1cccc(Cl)c1 ZINC000659211325 1037483977 /nfs/dbraw/zinc/48/39/77/1037483977.db2.gz XLYPQQSGGKWCIH-RHSMWYFYSA-N -1 0 337.847 3.697 20 0 EHADRM Cc1ccc(CCCC(=O)NCc2ccc(C(=O)[O-])cc2F)s1 ZINC000659223585 1037516890 /nfs/dbraw/zinc/51/68/90/1037516890.db2.gz OKSVONQRGHBCMP-UHFFFAOYSA-N -1 0 335.400 3.533 20 0 EHADRM CCC1(C(=O)NCc2ccc(C(=O)[O-])cc2F)CCC(F)(F)CC1 ZINC000659223668 1037524787 /nfs/dbraw/zinc/52/47/87/1037524787.db2.gz QJWSGWGXIPRELE-UHFFFAOYSA-N -1 0 343.345 3.746 20 0 EHADRM Cc1nc(=NCC2(c3cccc(C(F)(F)F)c3)CCC2)s[n-]1 ZINC000462900478 1037529658 /nfs/dbraw/zinc/52/96/58/1037529658.db2.gz MYIRQDYUWQTIER-UHFFFAOYSA-N -1 0 327.375 3.821 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N1CCC[C@@H](C2CCC2)C1)C(=O)[O-] ZINC000659227572 1037534194 /nfs/dbraw/zinc/53/41/94/1037534194.db2.gz LQHAVESFMGBFDY-UKRRQHHQSA-N -1 0 347.480 3.904 20 0 EHADRM Cc1nn(C)c(Cl)c1/C=C\C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000493652213 1037535344 /nfs/dbraw/zinc/53/53/44/1037535344.db2.gz XFGBOTSYVGNRQW-ARJAWSKDSA-N -1 0 344.173 3.532 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000659234340 1037548902 /nfs/dbraw/zinc/54/89/02/1037548902.db2.gz RHMTYLQWDTXXGQ-WIYYLYMNSA-N -1 0 337.419 3.656 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000659239816 1037560682 /nfs/dbraw/zinc/56/06/82/1037560682.db2.gz WCPPZXCTPZSMCL-NYUBLWNDSA-N -1 0 337.419 3.703 20 0 EHADRM CCOc1ccccc1-c1cccc(C(=O)N=c2cc(C)c(C)n[n-]2)c1 ZINC000540105314 1037573016 /nfs/dbraw/zinc/57/30/16/1037573016.db2.gz BZLMAXRQMILQOG-UHFFFAOYSA-N -1 0 347.418 3.833 20 0 EHADRM O=C(/C=C\c1ccc2c(c1)OCO2)Nc1cc(Cl)c([O-])cc1F ZINC000493751507 1037599909 /nfs/dbraw/zinc/59/99/09/1037599909.db2.gz JEYYVOWNVWJXGY-RQOWECAXSA-N -1 0 335.718 3.565 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c(C)cc1C ZINC000478700156 1037621827 /nfs/dbraw/zinc/62/18/27/1037621827.db2.gz SPCAAYUYENZJFT-UHFFFAOYSA-N -1 0 345.342 3.530 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)c1 ZINC000460828236 1037645696 /nfs/dbraw/zinc/64/56/96/1037645696.db2.gz MJMHYJKILIJSEH-UHFFFAOYSA-N -1 0 325.817 3.970 20 0 EHADRM CC(C)C[C@H](NC(=O)N[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000573635651 1037666869 /nfs/dbraw/zinc/66/68/69/1037666869.db2.gz XFSVMXDIGRNTJY-MFKMUULPSA-N -1 0 346.349 3.565 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OC(C)(C)C)o1 ZINC000540214591 1037699504 /nfs/dbraw/zinc/69/95/04/1037699504.db2.gz FDHISGXEWPTYMV-UHFFFAOYSA-N -1 0 327.377 3.705 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2N(C)C)sc1C ZINC000540209576 1037708922 /nfs/dbraw/zinc/70/89/22/1037708922.db2.gz QANFBZGRYXEJBT-UHFFFAOYSA-N -1 0 344.889 3.885 20 0 EHADRM COc1cccc(O[C@@H](C)CN=c2nc(-c3ccccc3)[n-]s2)c1 ZINC000463076576 1037744361 /nfs/dbraw/zinc/74/43/61/1037744361.db2.gz JNVYSOHZWRAMLH-ZDUSSCGKSA-N -1 0 341.436 3.515 20 0 EHADRM CC(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000592003185 1037781750 /nfs/dbraw/zinc/78/17/50/1037781750.db2.gz JCWVACWPKWFBBL-ZDUSSCGKSA-N -1 0 347.436 3.598 20 0 EHADRM Cc1cc(C)c(CC(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)c(C)c1 ZINC000669434330 1037807062 /nfs/dbraw/zinc/80/70/62/1037807062.db2.gz OUIYDVQKGFSEBA-KRWDZBQOSA-N -1 0 337.419 3.759 20 0 EHADRM CC(C)[C@H](CC(=O)NCC1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC000431856058 1037823676 /nfs/dbraw/zinc/82/36/76/1037823676.db2.gz HVVNUQYZHAFCNL-KRWDZBQOSA-N -1 0 331.456 3.968 20 0 EHADRM Cc1oc(CN(C)C(=O)/C=C/c2cc3ccccc3o2)cc1C(=O)[O-] ZINC000492139368 1038029359 /nfs/dbraw/zinc/02/93/59/1038029359.db2.gz NRUXZLWVZABWDQ-BQYQJAHWSA-N -1 0 339.347 3.704 20 0 EHADRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC2(CC2)C1 ZINC000659146637 1038239711 /nfs/dbraw/zinc/23/97/11/1038239711.db2.gz ODBMHZUPEGMXFY-SJORKVTESA-N -1 0 329.440 3.549 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)Cc1cccc2ccccc21)C1CCCCC1 ZINC000538514089 1038352985 /nfs/dbraw/zinc/35/29/85/1038352985.db2.gz MFURFBYRMNSZNJ-LJQANCHMSA-N -1 0 339.435 3.922 20 0 EHADRM CCOc1ccc(CCC(=O)NCC2(CC(=O)[O-])CCCCC2)cc1 ZINC000538577343 1038400325 /nfs/dbraw/zinc/40/03/25/1038400325.db2.gz RYKKHZUUBNXFPB-UHFFFAOYSA-N -1 0 347.455 3.559 20 0 EHADRM Cc1cc(C)c(CN=c2[n-]nc(Cc3ccc(F)cc3)o2)cc1C ZINC000538592288 1038421228 /nfs/dbraw/zinc/42/12/28/1038421228.db2.gz UCAYIFOLIJTAGP-UHFFFAOYSA-N -1 0 325.387 3.759 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2n[nH]c(C)c2-c2ccccc2)s1 ZINC000533943727 1038429993 /nfs/dbraw/zinc/42/99/93/1038429993.db2.gz DXKNTIXJCQDWNE-UHFFFAOYSA-N -1 0 347.465 3.810 20 0 EHADRM COc1cccc(N=c2[n-]nc(S[C@H](C)c3ncc(C)o3)s2)c1 ZINC000538898778 1038584469 /nfs/dbraw/zinc/58/44/69/1038584469.db2.gz ATKCZRICTPPSAE-SNVBAGLBSA-N -1 0 348.453 3.862 20 0 EHADRM C/C=C/C[C@@H](NC(=O)Nc1ccc(-c2csc(C)n2)cc1)C(=O)[O-] ZINC000584567851 1038662183 /nfs/dbraw/zinc/66/21/83/1038662183.db2.gz CTQWZDCNHYFNHW-RDFMZFSFSA-N -1 0 345.424 3.659 20 0 EHADRM Cc1ccc2nc(C)c(C(=O)NCC3(C(=O)[O-])CCCCC3)cc2c1 ZINC000431886835 1038770281 /nfs/dbraw/zinc/77/02/81/1038770281.db2.gz HCZUGRPFHUMQPH-UHFFFAOYSA-N -1 0 340.423 3.617 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cccc3ccsc32)[C@@H]2CCC[C@H]21 ZINC000910239199 1038785044 /nfs/dbraw/zinc/78/50/44/1038785044.db2.gz FFQWDSNUHJZWTM-GZBFAFLISA-N -1 0 329.421 3.617 20 0 EHADRM Cc1cc2c(cc1C)N(C(=O)C13CCC(C(=O)[O-])(CC1)CC3)CC2 ZINC000910241815 1038785204 /nfs/dbraw/zinc/78/52/04/1038785204.db2.gz MTRLOYUDEJLXAC-UHFFFAOYSA-N -1 0 327.424 3.618 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)cc1 ZINC000910246142 1038787071 /nfs/dbraw/zinc/78/70/71/1038787071.db2.gz NHQUCVBCQDAZPB-MGHWNKPDSA-N -1 0 345.439 3.579 20 0 EHADRM Cc1ccc(-c2ccc(C)c(NC(=O)C34CC(C(=O)[O-])(C3)C4)c2)o1 ZINC000910254253 1038790794 /nfs/dbraw/zinc/79/07/94/1038790794.db2.gz IMDNZHDSWWRSBT-UHFFFAOYSA-N -1 0 325.364 3.757 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000910254962 1038792315 /nfs/dbraw/zinc/79/23/15/1038792315.db2.gz UYDFFOUWRYZVOK-GVDBMIGSSA-N -1 0 333.403 3.770 20 0 EHADRM C[C@@H](c1ccc(C(=O)N[C@@](C)(CC(=O)[O-])C2CC2)cc1)C(F)(F)F ZINC000910320391 1038824037 /nfs/dbraw/zinc/82/40/37/1038824037.db2.gz XVEIDNAFZBCWQG-QFYYESIMSA-N -1 0 343.345 3.726 20 0 EHADRM O=C([O-])[C@@H]1CN(c2cc(C3CC3)nc(C3CC3)n2)C[C@@H]1c1ccccc1 ZINC000910320358 1038825085 /nfs/dbraw/zinc/82/50/85/1038825085.db2.gz OFFFWQDABHDENQ-IAGOWNOFSA-N -1 0 349.434 3.536 20 0 EHADRM Cc1cc(Nc2cnc(NC(=O)OC(C)(C)C)cn2)ccc1C(=O)[O-] ZINC001211652546 1038837146 /nfs/dbraw/zinc/83/71/46/1038837146.db2.gz DMWFMOPSLIYDEA-UHFFFAOYSA-N -1 0 344.371 3.574 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N1CCC[C@]1(C)c1ccc(C(F)(F)F)cc1 ZINC000910350436 1038873188 /nfs/dbraw/zinc/87/31/88/1038873188.db2.gz VEVNAMXSVSSPNX-BDJLRTHQSA-N -1 0 343.345 3.654 20 0 EHADRM CC(C)c1nnc(NC[C@H](Cc2cccc3ccccc32)C(=O)[O-])o1 ZINC000910422220 1038905762 /nfs/dbraw/zinc/90/57/62/1038905762.db2.gz MJIXJMSUEXPRCJ-HNNXBMFYSA-N -1 0 339.395 3.702 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1 ZINC000485310707 1038906718 /nfs/dbraw/zinc/90/67/18/1038906718.db2.gz FQIUZYLNBMIAKK-UHFFFAOYSA-N -1 0 333.306 3.954 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN1C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000910505771 1038952816 /nfs/dbraw/zinc/95/28/16/1038952816.db2.gz LTHNUUVKQJMRNH-JQYPEGPJSA-N -1 0 325.364 3.529 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)C1CCCC1 ZINC000910567740 1038968716 /nfs/dbraw/zinc/96/87/16/1038968716.db2.gz MHXLGCWDSKXSPV-XQQFMLRXSA-N -1 0 335.366 3.505 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)NC[C@@H]1CCC(F)(F)C1)C1CCCCC1 ZINC000485365178 1038970958 /nfs/dbraw/zinc/97/09/58/1038970958.db2.gz JSKQQGKDYHMKON-WBMJQRKESA-N -1 0 331.403 3.599 20 0 EHADRM CC(C)Oc1c(NCc2ccc3c(c2)CCO3)cccc1C(=O)[O-] ZINC000485401685 1039011427 /nfs/dbraw/zinc/01/14/27/1039011427.db2.gz HJASLXAVAPHEPK-UHFFFAOYSA-N -1 0 327.380 3.719 20 0 EHADRM COCc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c1 ZINC000485394101 1039023697 /nfs/dbraw/zinc/02/36/97/1039023697.db2.gz STXFJXQGAHJBLQ-UHFFFAOYSA-N -1 0 346.235 3.941 20 0 EHADRM O=S(=O)([N-]c1cccc2c1CCO2)c1ccc(Cl)cc1Cl ZINC000485394096 1039024827 /nfs/dbraw/zinc/02/48/27/1039024827.db2.gz FKOXOWGVIHZILJ-UHFFFAOYSA-N -1 0 344.219 3.729 20 0 EHADRM Cc1ccc(CCC(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)s1 ZINC000910700940 1039028268 /nfs/dbraw/zinc/02/82/68/1039028268.db2.gz NBCDCMXVMLSOMN-UHFFFAOYSA-N -1 0 338.454 3.906 20 0 EHADRM CC(C)(C)[C@H]1CCCN(C(=O)c2nn(-c3cccc(F)c3)cc2[O-])C1 ZINC000552223515 1039077093 /nfs/dbraw/zinc/07/70/93/1039077093.db2.gz CZBYDXMGSNHRMV-ZDUSSCGKSA-N -1 0 345.418 3.615 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)NCC(C)(C)CC(=O)[O-] ZINC000910824147 1039097945 /nfs/dbraw/zinc/09/79/45/1039097945.db2.gz MQTRFMVNZQPKIS-UHFFFAOYSA-N -1 0 335.425 3.527 20 0 EHADRM O=C([O-])CC1CC(NC(=O)Cc2ccc(C3CCCCC3)cc2)C1 ZINC000910807121 1039103733 /nfs/dbraw/zinc/10/37/33/1039103733.db2.gz HZLAOYABEPPKDO-UHFFFAOYSA-N -1 0 329.440 3.646 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000236884094 1039124575 /nfs/dbraw/zinc/12/45/75/1039124575.db2.gz OFAAWNKWTVIFHL-JIIJFUIFSA-N -1 0 339.391 3.889 20 0 EHADRM CSc1ccc(NC(=O)c2c(C)noc2C(C)C)cc1C(=O)[O-] ZINC000910951226 1039154923 /nfs/dbraw/zinc/15/49/23/1039154923.db2.gz PKLMDEKNCZNYFI-UHFFFAOYSA-N -1 0 334.397 3.779 20 0 EHADRM CCC1(C(=O)N2CCC(c3c[nH]c4ccc(C(=O)[O-])cc43)CC2)CC1 ZINC000910951095 1039156226 /nfs/dbraw/zinc/15/62/26/1039156226.db2.gz ASSMHTOXGAMHDD-UHFFFAOYSA-N -1 0 340.423 3.762 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000910959610 1039160728 /nfs/dbraw/zinc/16/07/28/1039160728.db2.gz SOTKFTUYNNIGPY-CXAGYDPISA-N -1 0 333.428 3.727 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000910965937 1039161799 /nfs/dbraw/zinc/16/17/99/1039161799.db2.gz QKYMKPMQDDCVFR-QGZVFWFLSA-N -1 0 339.391 3.703 20 0 EHADRM CCN(C(=O)c1cccc(N2CCCC2)c1)c1cccc(C(=O)[O-])c1 ZINC000910965732 1039161894 /nfs/dbraw/zinc/16/18/94/1039161894.db2.gz FLDJTIJZMLBKAT-UHFFFAOYSA-N -1 0 338.407 3.652 20 0 EHADRM O=S(=O)([N-][C@H](c1cccc2ccccc21)C(F)(F)F)C1CC1 ZINC000512447324 1039188696 /nfs/dbraw/zinc/18/86/96/1039188696.db2.gz LFWHGWZJUGWGMV-CQSZACIVSA-N -1 0 329.343 3.525 20 0 EHADRM CC(C)[C@@H](Sc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000485519314 1039194910 /nfs/dbraw/zinc/19/49/10/1039194910.db2.gz QWVXCBYSOXXANC-QGZVFWFLSA-N -1 0 343.448 3.818 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ncccc2F)c1Cl ZINC000480126500 1039200862 /nfs/dbraw/zinc/20/08/62/1039200862.db2.gz SLQSURYTTCXNQC-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CCCCc1n[n-]c(=NCc2ccc(Cl)cc2Br)o1 ZINC000554328866 1039224072 /nfs/dbraw/zinc/22/40/72/1039224072.db2.gz ZRDCCBWXDBFKQY-UHFFFAOYSA-N -1 0 344.640 3.862 20 0 EHADRM CC[C@@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])CC1 ZINC000668861967 1039283944 /nfs/dbraw/zinc/28/39/44/1039283944.db2.gz DYXNXIOHSQLZMY-GFCCVEGCSA-N -1 0 349.381 3.508 20 0 EHADRM CCN(CC)c1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1 ZINC000911212881 1039286506 /nfs/dbraw/zinc/28/65/06/1039286506.db2.gz RTKFYTCMOYFAPM-UHFFFAOYSA-N -1 0 330.428 3.506 20 0 EHADRM O=S(=O)([N-]c1cc(F)ccc1OCC1CC1)c1ccc(F)cc1 ZINC000480211209 1039309694 /nfs/dbraw/zinc/30/96/94/1039309694.db2.gz BNEVGUKTWNRVCY-UHFFFAOYSA-N -1 0 339.363 3.554 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@@H]2CC(C)(C)Oc3ccc(F)cc32)s[n-]1 ZINC000651416329 1039317983 /nfs/dbraw/zinc/31/79/83/1039317983.db2.gz CSTQURDDOWXIPK-JOYOIKCWSA-N -1 0 337.420 3.521 20 0 EHADRM C[C@@H](N=c1[n-]nc(-c2ccccc2)s1)[C@H]1OCCc2sccc21 ZINC000488748896 1039381579 /nfs/dbraw/zinc/38/15/79/1039381579.db2.gz QHBZISUAAQGANP-IAQYHMDHSA-N -1 0 343.477 3.803 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)CCc1cccc(F)c1F ZINC000237647644 1039405579 /nfs/dbraw/zinc/40/55/79/1039405579.db2.gz OAFRXAMXKUCJSO-INIZCTEOSA-N -1 0 347.361 3.538 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N2CCC[C@H]2c2ccc(F)cc2F)c1 ZINC000911546122 1039406993 /nfs/dbraw/zinc/40/69/93/1039406993.db2.gz RYEQWUJXURVFPL-KRWDZBQOSA-N -1 0 345.345 3.569 20 0 EHADRM Cn1cc(C(=O)[O-])c(-c2cc(F)cc(COC3CCCCC3)c2)n1 ZINC000906247165 1039408295 /nfs/dbraw/zinc/40/82/95/1039408295.db2.gz YIZOYXYARXQBGX-UHFFFAOYSA-N -1 0 332.375 3.774 20 0 EHADRM O=C([O-])c1ccc2[nH]cc(-c3ccccc3OC[C@H]3CCOC3)c2c1 ZINC000906238040 1039423252 /nfs/dbraw/zinc/42/32/52/1039423252.db2.gz BUIUSESRPOHBTK-ZDUSSCGKSA-N -1 0 337.375 3.948 20 0 EHADRM Cc1cc(-c2cccc(CO[C@@H]3CCOC3)c2)c(CC(=O)[O-])s1 ZINC000906237153 1039423595 /nfs/dbraw/zinc/42/35/95/1039423595.db2.gz GFOCIEGMISQMOU-OAHLLOKOSA-N -1 0 332.421 3.656 20 0 EHADRM C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1ccccc1CCC(=O)[O-] ZINC000911590273 1039433055 /nfs/dbraw/zinc/43/30/55/1039433055.db2.gz KDQUYVRBCBHYQP-DGCLKSJQSA-N -1 0 343.345 3.507 20 0 EHADRM CCN(C)C(=O)N([C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1)C1CC1 ZINC000554533366 1039436992 /nfs/dbraw/zinc/43/69/92/1039436992.db2.gz COYWWWZEIOWIJZ-CYBMUJFWSA-N -1 0 345.226 3.655 20 0 EHADRM C[C@@H]1C[C@@H](CC(=O)N[C@H](CC(=O)[O-])c2ccncc2)CC(C)(C)C1 ZINC000911658414 1039453260 /nfs/dbraw/zinc/45/32/60/1039453260.db2.gz LAQGNEQBVPZVEP-IJEWVQPXSA-N -1 0 332.444 3.566 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NC12CCC(C(F)(F)F)(CC1)CC2 ZINC000911696139 1039467890 /nfs/dbraw/zinc/46/78/90/1039467890.db2.gz BLNMFUUMRYXZRD-YNQUZJHLSA-N -1 0 347.377 3.649 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000911718739 1039468743 /nfs/dbraw/zinc/46/87/43/1039468743.db2.gz QNYOPCIOXISDOV-LOSBRSSZSA-N -1 0 349.858 3.983 20 0 EHADRM CCCN(C(=O)c1ccc(C)c(Oc2ccncc2)c1)[C@H](C)C(=O)[O-] ZINC000911715708 1039470092 /nfs/dbraw/zinc/47/00/92/1039470092.db2.gz YIUZOOKBGLZRTQ-CQSZACIVSA-N -1 0 342.395 3.508 20 0 EHADRM Cc1c(Cl)cccc1N=c1[n-]nc(SCc2ncccn2)s1 ZINC000478534487 1039522748 /nfs/dbraw/zinc/52/27/48/1039522748.db2.gz CTIGZRCNTDXXFJ-UHFFFAOYSA-N -1 0 349.872 3.748 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc3[nH]c(C(C)(C)C)nc3c2)c(C)o1 ZINC000345077658 1039624569 /nfs/dbraw/zinc/62/45/69/1039624569.db2.gz YYYTVFWAIUDLFB-UHFFFAOYSA-N -1 0 347.440 3.871 20 0 EHADRM C[C@H](NC(=O)N=c1cccn[n-]1)c1ccccc1Oc1ccccc1 ZINC000478685720 1039638827 /nfs/dbraw/zinc/63/88/27/1039638827.db2.gz OEDRVTSNSHQBJA-AWEZNQCLSA-N -1 0 334.379 3.574 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c(C)cc1C ZINC000478701130 1039658617 /nfs/dbraw/zinc/65/86/17/1039658617.db2.gz LWMRVTSHXMGPRP-UHFFFAOYSA-N -1 0 345.342 3.530 20 0 EHADRM Cc1cc(NC(=O)Cc2ccccc2OC(C)C)cc(C(=O)[O-])c1C ZINC000485929122 1039699394 /nfs/dbraw/zinc/69/93/94/1039699394.db2.gz CVFMNMOWBFZQBF-UHFFFAOYSA-N -1 0 341.407 3.970 20 0 EHADRM Cc1cc(NC(=O)CCc2nc3ccccc3o2)cc(C(=O)[O-])c1C ZINC000485946059 1039710833 /nfs/dbraw/zinc/71/08/33/1039710833.db2.gz ICBBFGQHADSSMT-UHFFFAOYSA-N -1 0 338.363 3.714 20 0 EHADRM COCCC[C@H](Cc1ccccc1)N=c1[n-]nc(C(C)(C)C)s1 ZINC000480555405 1039711076 /nfs/dbraw/zinc/71/10/76/1039711076.db2.gz ORYXYOSEFBKRJV-OAHLLOKOSA-N -1 0 333.501 3.707 20 0 EHADRM CC(C)=CCC[C@@H](C)CC(=O)[N-]S(=O)(=O)CCCC(C)(F)F ZINC000893801676 1039712322 /nfs/dbraw/zinc/71/23/22/1039712322.db2.gz OIRUYLGFYCUDDP-CYBMUJFWSA-N -1 0 339.448 3.640 20 0 EHADRM CC(C)(CN=c1[n-]nc(-c2ccon2)s1)c1ccccc1Cl ZINC000553040971 1039723475 /nfs/dbraw/zinc/72/34/75/1039723475.db2.gz VGIMSKFZOVFPRP-UHFFFAOYSA-N -1 0 334.832 3.658 20 0 EHADRM CCc1c(C(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)cnn1C(C)(C)C ZINC000485952393 1039733481 /nfs/dbraw/zinc/73/34/81/1039733481.db2.gz DHHIMCQCFJAMEB-UHFFFAOYSA-N -1 0 343.427 3.768 20 0 EHADRM CC(C)c1n[n-]c(=N[C@H]2CCc3c2ccc(F)c3Br)o1 ZINC000584761352 1039733952 /nfs/dbraw/zinc/73/39/52/1039733952.db2.gz RKARORKCOIIXGD-NSHDSACASA-N -1 0 340.196 3.616 20 0 EHADRM O=S(=O)([N-]c1nc(C2CC2)cs1)c1cc(Cl)cc(Cl)c1 ZINC000097205886 1039775428 /nfs/dbraw/zinc/77/54/28/1039775428.db2.gz DMKBOPOCFKIGAW-UHFFFAOYSA-N -1 0 349.264 3.550 20 0 EHADRM COC[C@@H](N=c1nc(C(C)(C)C)[n-]s1)c1ccc(Cl)cc1 ZINC000486007310 1039781729 /nfs/dbraw/zinc/78/17/29/1039781729.db2.gz SEFFIQRYENGNSS-GFCCVEGCSA-N -1 0 325.865 3.711 20 0 EHADRM Cc1ccc(Cc2n[n-]c(=NC(=O)N3CCCCC[C@H]3C)s2)cc1 ZINC000512543606 1039828119 /nfs/dbraw/zinc/82/81/19/1039828119.db2.gz GUVVOHSRESNCOR-CQSZACIVSA-N -1 0 344.484 3.656 20 0 EHADRM CC(C)c1ccc(O[C@@H](C)CNC(=O)CC2(C(=O)[O-])CCCC2)cc1 ZINC000553188982 1039862829 /nfs/dbraw/zinc/86/28/29/1039862829.db2.gz WAEZKVVNMVFZBV-HNNXBMFYSA-N -1 0 347.455 3.729 20 0 EHADRM CC(C)N(C)c1ccc(/C=C\c2nc3ccc(C(=O)[O-])cc3o2)cn1 ZINC000486099449 1039876057 /nfs/dbraw/zinc/87/60/57/1039876057.db2.gz BVJATEAMUPPEAU-UITAMQMPSA-N -1 0 337.379 3.936 20 0 EHADRM CCCc1nc(=NC(=O)N(C)[C@@H](C)c2cc(C)ccc2C)s[n-]1 ZINC000554936589 1039953350 /nfs/dbraw/zinc/95/33/50/1039953350.db2.gz WEWWUVRCTBQKQQ-ZDUSSCGKSA-N -1 0 332.473 3.754 20 0 EHADRM CCCc1nc(=NC(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)s[n-]1 ZINC000554938966 1039980344 /nfs/dbraw/zinc/98/03/44/1039980344.db2.gz LTIFAIHRTFBKIM-TZMCWYRMSA-N -1 0 348.447 3.509 20 0 EHADRM CCOC(=O)CC(C)(C)CCSc1nc(C(F)F)cc(=O)[nH]1 ZINC000554942975 1039981264 /nfs/dbraw/zinc/98/12/64/1039981264.db2.gz PERABPDBIPMCAE-UHFFFAOYSA-N -1 0 334.388 3.581 20 0 EHADRM Cc1cc(C)cc([C@H](NCc2cnc(C(F)(F)F)s2)C(=O)[O-])c1 ZINC000417557675 1039998768 /nfs/dbraw/zinc/99/87/68/1039998768.db2.gz CHBSPLKZCNUDJO-LBPRGKRZSA-N -1 0 344.358 3.694 20 0 EHADRM O=C([O-])[C@@]1(NCc2cnc(C3CCC3)s2)CCc2c1cccc2F ZINC000417564103 1040012812 /nfs/dbraw/zinc/01/28/12/1040012812.db2.gz HZLXGXZJBLLJNL-GOSISDBHSA-N -1 0 346.427 3.566 20 0 EHADRM CC(C)(C)OCc1cccc(CN=c2nc(C(F)(F)F)[n-]s2)c1 ZINC000553375472 1040019482 /nfs/dbraw/zinc/01/94/82/1040019482.db2.gz UKKJNRQRJRELEN-UHFFFAOYSA-N -1 0 345.390 3.906 20 0 EHADRM CCc1nc(CN[C@]2(C(=O)[O-])C[C@H](C(C)C)c3ccccc32)cs1 ZINC000417575346 1040037223 /nfs/dbraw/zinc/03/72/23/1040037223.db2.gz FPNAFKNSWDUVPL-DNVCBOLYSA-N -1 0 344.480 3.919 20 0 EHADRM CCCc1csc(CN[C@@H](C(=O)[O-])C23CC4CC(CC(C4)C2)C3)n1 ZINC000417589838 1040043132 /nfs/dbraw/zinc/04/31/32/1040043132.db2.gz WGFIEYYMGOVOLR-AFRKLYKTSA-N -1 0 348.512 3.855 20 0 EHADRM CC(C)Oc1c(NCc2cccc3c2OCCO3)cccc1C(=O)[O-] ZINC000417595711 1040049407 /nfs/dbraw/zinc/04/94/07/1040049407.db2.gz YBYXJWRHTNQCTF-UHFFFAOYSA-N -1 0 343.379 3.555 20 0 EHADRM COc1ccc(CNc2ccc(C(C)(C)C(=O)[O-])cc2)cc1OC ZINC000417604171 1040054672 /nfs/dbraw/zinc/05/46/72/1040054672.db2.gz BDERQYKPXNZVLM-UHFFFAOYSA-N -1 0 329.396 3.678 20 0 EHADRM CCCOc1ccc(C(=O)[O-])cc1NCc1cnn(CC(C)C)c1 ZINC000417611899 1040077454 /nfs/dbraw/zinc/07/74/54/1040077454.db2.gz QAQPDCNNGXDRNP-UHFFFAOYSA-N -1 0 331.416 3.638 20 0 EHADRM Cc1ccc(CC(=O)NCc2c(C(=O)[O-])sc3ccsc32)cc1 ZINC000486393810 1040106410 /nfs/dbraw/zinc/10/64/10/1040106410.db2.gz KQNAZPAHMRTUDH-UHFFFAOYSA-N -1 0 345.445 3.828 20 0 EHADRM Cc1ccc(C[C@@H](NCc2ncc(C(C)C)s2)C(=O)[O-])cc1C ZINC000417654140 1040135730 /nfs/dbraw/zinc/13/57/30/1040135730.db2.gz RNHAYLZROKUXFD-OAHLLOKOSA-N -1 0 332.469 3.669 20 0 EHADRM CCCCCNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000489676172 1040135848 /nfs/dbraw/zinc/13/58/48/1040135848.db2.gz HWJMHLHFWKHVJH-UHFFFAOYSA-N -1 0 341.333 3.517 20 0 EHADRM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000907719951 1040143665 /nfs/dbraw/zinc/14/36/65/1040143665.db2.gz UCXLVJVGPSRHBL-HKWIRBFKSA-N -1 0 339.338 3.607 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)c1cc(-n2cccc2)ccc1Cl)C1CC1 ZINC000907748373 1040151557 /nfs/dbraw/zinc/15/15/57/1040151557.db2.gz PEPPDPLSBITSPS-GOSISDBHSA-N -1 0 346.814 3.504 20 0 EHADRM CC(C)Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)s1 ZINC000907736995 1040152886 /nfs/dbraw/zinc/15/28/86/1040152886.db2.gz VWQLKHQILFDYAC-SOUVJXGZSA-N -1 0 335.469 3.662 20 0 EHADRM CC1=C(C)CN(C(=O)c2c[nH]c(=NC(=O)OC(C)(C)C)s2)CC1 ZINC000907929111 1040233382 /nfs/dbraw/zinc/23/33/82/1040233382.db2.gz DXZXCVDYSRDJHY-UHFFFAOYSA-N -1 0 337.445 3.672 20 0 EHADRM CC(C)[C@@H](C(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@H]12)c1cccc(Cl)c1 ZINC000907942789 1040238594 /nfs/dbraw/zinc/23/85/94/1040238594.db2.gz ZXXGOJKEZAAYEK-GMBUGEKQSA-N -1 0 349.858 3.695 20 0 EHADRM CCC[C@H](C(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@H]12)c1ccc(Cl)cc1 ZINC000907951616 1040245233 /nfs/dbraw/zinc/24/52/33/1040245233.db2.gz DQOGVJHUMANQNK-QMPXSYISSA-N -1 0 349.858 3.839 20 0 EHADRM CCC[C@H](C)Sc1n[n-]c(=Nc2cccc(NC(C)=O)c2)s1 ZINC000481031903 1040277387 /nfs/dbraw/zinc/27/73/87/1040277387.db2.gz BKNFEZKWYGXPMC-JTQLQIEISA-N -1 0 336.486 3.943 20 0 EHADRM CCSc1ccc(CC(=O)N(C)c2cccc(CC(=O)[O-])c2)cc1 ZINC000908082743 1040279523 /nfs/dbraw/zinc/27/95/23/1040279523.db2.gz HSQKVEWZBVWTGA-UHFFFAOYSA-N -1 0 343.448 3.631 20 0 EHADRM CN(C(=O)c1scnc1C1CCCC1)c1cccc(CC(=O)[O-])c1 ZINC000908088163 1040283475 /nfs/dbraw/zinc/28/34/75/1040283475.db2.gz GBGANMSLXRITRN-UHFFFAOYSA-N -1 0 344.436 3.704 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(C3(C)CCCC3)on2)c(F)c1 ZINC000432967375 1040286558 /nfs/dbraw/zinc/28/65/58/1040286558.db2.gz PEZVABKSYAGPHW-UHFFFAOYSA-N -1 0 338.404 3.755 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)N(C)c1cccc(CC(=O)[O-])c1 ZINC000908077529 1040286780 /nfs/dbraw/zinc/28/67/80/1040286780.db2.gz JWHKCPMOEVFFEY-AWEZNQCLSA-N -1 0 343.448 3.705 20 0 EHADRM C[C@@H](CC(=O)N(C)c1cccc(CC(=O)[O-])c1)c1ccc(F)cc1F ZINC000908081127 1040289506 /nfs/dbraw/zinc/28/95/06/1040289506.db2.gz XRUVGGSJECBZLF-LBPRGKRZSA-N -1 0 347.361 3.749 20 0 EHADRM C[C@H](CCc1ccc(F)cc1)C(=O)N(C)c1cccc(CC(=O)[O-])c1 ZINC000908080668 1040290529 /nfs/dbraw/zinc/29/05/29/1040290529.db2.gz SAPNKEVUTGGWIV-CQSZACIVSA-N -1 0 343.398 3.685 20 0 EHADRM CC(C)COc1ccc(C(=O)N(C)c2cccc(CC(=O)[O-])c2)cc1 ZINC000908078795 1040291120 /nfs/dbraw/zinc/29/11/20/1040291120.db2.gz CPLWNUPGJZPOKH-UHFFFAOYSA-N -1 0 341.407 3.625 20 0 EHADRM CCc1ccc(-c2ccc(CN=c3[n-]ncn3-c3cccnc3)o2)cc1 ZINC000490031687 1040298480 /nfs/dbraw/zinc/29/84/80/1040298480.db2.gz OPKVIXDJQYIGJX-UHFFFAOYSA-N -1 0 345.406 3.519 20 0 EHADRM CCCc1nc(C)c(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)s1 ZINC000236937601 1040316176 /nfs/dbraw/zinc/31/61/76/1040316176.db2.gz OCMJBZASAJVCDR-JXMROGBWSA-N -1 0 330.409 3.754 20 0 EHADRM Cc1ccc(-c2ccc(CN=c3[n-]ncn3-c3cccnc3)s2)cc1 ZINC000490057534 1040327491 /nfs/dbraw/zinc/32/74/91/1040327491.db2.gz HMRQMQMZBDQYTL-UHFFFAOYSA-N -1 0 347.447 3.733 20 0 EHADRM O=c1cc(C2CCOCC2)[n-]n1Cc1cccc(Cl)c1Cl ZINC000899354076 1040363237 /nfs/dbraw/zinc/36/32/37/1040363237.db2.gz BZKBBBGTFKPYIX-UHFFFAOYSA-N -1 0 327.211 3.508 20 0 EHADRM CCn1cc(CC(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)c2ccccc21 ZINC000236947498 1040368567 /nfs/dbraw/zinc/36/85/67/1040368567.db2.gz PFEWHZUBCYLLMJ-FMIVXFBMSA-N -1 0 348.402 3.940 20 0 EHADRM FC(F)c1n[n-]c(=NCC(F)(F)c2ccc(Cl)cc2)s1 ZINC000553729393 1040383016 /nfs/dbraw/zinc/38/30/16/1040383016.db2.gz NWTPCTVCJBTFCU-UHFFFAOYSA-N -1 0 325.718 3.755 20 0 EHADRM CC(C)c1ccc([C@@H](C)n2[n-]c3c(c2=O)CC2(CC3)OCCO2)cc1 ZINC000899360608 1040384497 /nfs/dbraw/zinc/38/44/97/1040384497.db2.gz MPVSTHHSEJPOSE-PBHICJAKSA-N -1 0 342.439 3.612 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1ccsc1C(F)(F)F)CC1CCCC1 ZINC000908294713 1040391602 /nfs/dbraw/zinc/39/16/02/1040391602.db2.gz ZDPFHCJJUWMPTL-JTQLQIEISA-N -1 0 349.374 3.778 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CCC1 ZINC000908343432 1040403617 /nfs/dbraw/zinc/40/36/17/1040403617.db2.gz WZVSCNJVIZANLR-CVEARBPZSA-N -1 0 349.858 3.985 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)c2sccc2-c2ccc(F)cc2)C1 ZINC000908367519 1040415368 /nfs/dbraw/zinc/41/53/68/1040415368.db2.gz VIZZPNYTOUCGCU-RISCZKNCSA-N -1 0 347.411 3.927 20 0 EHADRM Cc1c(NCC(C)(C)C)cccc1C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1 ZINC000908382836 1040425283 /nfs/dbraw/zinc/42/52/83/1040425283.db2.gz LURIHXSGZITDLK-LSDHHAIUSA-N -1 0 346.471 3.826 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)c(F)c1 ZINC000479593946 1040432911 /nfs/dbraw/zinc/43/29/11/1040432911.db2.gz NGHHQRBROQCOHO-VXGBXAGGSA-N -1 0 333.746 3.920 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)Nc2cccc(C(=O)[O-])c2OC)c1 ZINC000908508174 1040497235 /nfs/dbraw/zinc/49/72/35/1040497235.db2.gz QHCKLSWOZIBACS-LBPRGKRZSA-N -1 0 343.379 3.534 20 0 EHADRM CN(C(=O)Nc1ccc(C2CCC2)cn1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000908680865 1040569678 /nfs/dbraw/zinc/56/96/78/1040569678.db2.gz HGALQHXUOPVCLX-QGZVFWFLSA-N -1 0 339.395 3.639 20 0 EHADRM CCC[C@@H]1C[C@H](C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CCO1 ZINC000908686631 1040575203 /nfs/dbraw/zinc/57/52/03/1040575203.db2.gz JZGILQNMXCCNSY-ZYHUDNBSSA-N -1 0 325.792 3.572 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@@H]3CCc4cc(Cl)ccc43)(CC1)CC2 ZINC000908750398 1040629011 /nfs/dbraw/zinc/62/90/11/1040629011.db2.gz GBECVLGGYFOTRM-VNCLNFNDSA-N -1 0 347.842 3.869 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)NCc1cccc(COC(C)(C)C)c1 ZINC000908770502 1040643004 /nfs/dbraw/zinc/64/30/04/1040643004.db2.gz FRLSUXVGKFHANW-UHFFFAOYSA-N -1 0 345.395 3.531 20 0 EHADRM O=C(Nc1ccccc1-c1nn[nH]n1)c1cccc(C2CCCC2)c1 ZINC000913357937 1040755847 /nfs/dbraw/zinc/75/58/47/1040755847.db2.gz QRDVRJXKPGBBSO-UHFFFAOYSA-N -1 0 333.395 3.777 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1CC(C)(C)Oc2ccccc21 ZINC000909082900 1040791714 /nfs/dbraw/zinc/79/17/14/1040791714.db2.gz GKWYHRZGCOVMCV-HNNXBMFYSA-N -1 0 339.391 3.977 20 0 EHADRM O=C([O-])c1cc(Nc2cnc(F)c(Br)c2)ccc1F ZINC001175215115 1132596974 /nfs/dbraw/zinc/59/69/74/1132596974.db2.gz IBLNSSJQFFDRJA-UHFFFAOYSA-N -1 0 329.100 3.564 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1c[nH]cc1-c1ccccc1F ZINC000909144452 1040841290 /nfs/dbraw/zinc/84/12/90/1040841290.db2.gz DDFSLKXKSSZJEC-UHFFFAOYSA-N -1 0 332.375 3.586 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)NC[C@@H](C)CC(F)F ZINC000909242918 1040878288 /nfs/dbraw/zinc/87/82/88/1040878288.db2.gz ANDPCCMXRFZOTD-JSGCOSHPSA-N -1 0 342.386 3.525 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)C2C[C@H]3CC[C@@H](C2)S3)c1 ZINC000909272573 1040892551 /nfs/dbraw/zinc/89/25/51/1040892551.db2.gz QSGAHCFYXPHSEB-YIOALNHFSA-N -1 0 325.817 3.651 20 0 EHADRM Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000909271478 1040893169 /nfs/dbraw/zinc/89/31/69/1040893169.db2.gz HCIIREIQEZCKLT-MRVPVSSYSA-N -1 0 335.791 3.510 20 0 EHADRM CC[C@@H]1C[C@@H](CC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CCO1 ZINC000909271358 1040893438 /nfs/dbraw/zinc/89/34/38/1040893438.db2.gz BGNHEIKIJIMYQS-IINYFYTJSA-N -1 0 325.792 3.572 20 0 EHADRM CC[C@H]1C[C@@H](CC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CCO1 ZINC000909271357 1040893868 /nfs/dbraw/zinc/89/38/68/1040893868.db2.gz BGNHEIKIJIMYQS-HZMBPMFUSA-N -1 0 325.792 3.572 20 0 EHADRM CC(C)c1cccc(CNC(=O)N=c2ncn(C3CCCCC3)[n-]2)c1 ZINC000481462327 1040921913 /nfs/dbraw/zinc/92/19/13/1040921913.db2.gz CLTVGWUHLJFGAZ-UHFFFAOYSA-N -1 0 341.459 3.650 20 0 EHADRM C[C@@H](C(=O)NC1(CC(=O)[O-])CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000909707192 1040945595 /nfs/dbraw/zinc/94/55/95/1040945595.db2.gz ZSHWDVXJEUCFPK-LLVKDONJSA-N -1 0 343.345 3.713 20 0 EHADRM Cc1nc(-c2ccc(C(=O)N[C@@](C)(CC(=O)[O-])C(C)C)cc2)cs1 ZINC000909688610 1040951326 /nfs/dbraw/zinc/95/13/26/1040951326.db2.gz ONTBIKPKHVRLGN-SFHVURJKSA-N -1 0 346.452 3.738 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000909722519 1040967676 /nfs/dbraw/zinc/96/76/76/1040967676.db2.gz YLFWEGZSTNJPSM-CABCVRRESA-N -1 0 349.477 3.641 20 0 EHADRM CCc1cc(C)c(C(=O)N=c2[n-]nc(-c3cccc(Cl)c3)s2)o1 ZINC000487574946 1040971640 /nfs/dbraw/zinc/97/16/40/1040971640.db2.gz PSPHLDLJDWWNNL-UHFFFAOYSA-N -1 0 347.827 3.997 20 0 EHADRM CC[C@H](NC(=O)N=c1[n-]nc(-c2ccco2)s1)C1CCCCC1 ZINC000586779575 1041015801 /nfs/dbraw/zinc/01/58/01/1041015801.db2.gz MGETYNCBGWMGDP-LBPRGKRZSA-N -1 0 334.445 3.700 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@@]2(c3ccccc3)C[C@H](F)C2)c1 ZINC000909831042 1041019188 /nfs/dbraw/zinc/01/91/88/1041019188.db2.gz NDIQYXBGGPJUAM-OWDMVUQNSA-N -1 0 341.382 3.883 20 0 EHADRM CC(C)(CC(=O)N[C@H](Cc1cccc(Cl)c1)C(=O)[O-])CC(F)F ZINC000909814728 1041021422 /nfs/dbraw/zinc/02/14/22/1041021422.db2.gz AYJVKCFZSLWJKT-GFCCVEGCSA-N -1 0 347.789 3.523 20 0 EHADRM CCN(C)[C@@H](C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1)c1ccccc1 ZINC000909835923 1041031962 /nfs/dbraw/zinc/03/19/62/1041031962.db2.gz WSIOFPQOZFXDNN-RDTXWAMCSA-N -1 0 340.423 3.506 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1ccccc1OCc1ccccc1 ZINC000909899687 1041057448 /nfs/dbraw/zinc/05/74/48/1041057448.db2.gz BBTXFZAOTLEGLF-QGZVFWFLSA-N -1 0 327.380 3.561 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)N[C@H](C)c1ccccc1OC(F)F ZINC000899762831 1041090986 /nfs/dbraw/zinc/09/09/86/1041090986.db2.gz XLBOHHWYKORZRW-NEPJUHHUSA-N -1 0 343.370 3.602 20 0 EHADRM Cc1ccc([C@@H](CC(=O)Nc2cccc(OCCF)c2)C(=O)[O-])cc1 ZINC000899773778 1041110657 /nfs/dbraw/zinc/11/06/57/1041110657.db2.gz NQCBJMUCVXKRFP-QGZVFWFLSA-N -1 0 345.370 3.540 20 0 EHADRM C[C@@H](CC1CC1)NC(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1 ZINC000481584975 1041114718 /nfs/dbraw/zinc/11/47/18/1041114718.db2.gz UTVLNZKYROHXST-VIFPVBQESA-N -1 0 336.848 3.591 20 0 EHADRM Cc1ccc([C@H](CC(=O)N(C)[C@@H](C)c2ccccc2)C(=O)[O-])cc1 ZINC000899797225 1041132802 /nfs/dbraw/zinc/13/28/02/1041132802.db2.gz ZXJWGBVJNICGDK-YJBOKZPZSA-N -1 0 325.408 3.773 20 0 EHADRM O=C(C1CC1)N1CCC(/N=C/c2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000044547326 1041135298 /nfs/dbraw/zinc/13/52/98/1041135298.db2.gz MGQVCTBSBKNQEF-DJKKODMXSA-N -1 0 341.238 3.519 20 0 EHADRM Cc1cc(OC(C)C)ccc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-] ZINC000899802019 1041140482 /nfs/dbraw/zinc/14/04/82/1041140482.db2.gz AJUNKUIXNKYJGD-BAGFXWCHSA-N -1 0 343.423 3.634 20 0 EHADRM Cc1cc(Nc2ccc3c(c2)OC(C)(C)C(=O)N3)ccc1C(=O)[O-] ZINC001211657698 1041149593 /nfs/dbraw/zinc/14/95/93/1041149593.db2.gz XLTQQTPVIQNENR-UHFFFAOYSA-N -1 0 326.352 3.546 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@H]3C[C@@]3(C(=O)[O-])C(C)C)c2)oc1C ZINC000899804315 1041162306 /nfs/dbraw/zinc/16/23/06/1041162306.db2.gz ZDVCPPVLGVAMOU-DNVCBOLYSA-N -1 0 342.395 3.644 20 0 EHADRM CCN(Cc1c[nH]c2ccccc12)C(=O)[C@@H](CC(=O)[O-])CC(C)C ZINC000899822071 1041163857 /nfs/dbraw/zinc/16/38/57/1041163857.db2.gz NONCIBNJFPEFQA-CQSZACIVSA-N -1 0 330.428 3.653 20 0 EHADRM C[C@@H](c1ccc(C(=O)N(CC(=O)[O-])C2CCCC2)cc1)C(F)(F)F ZINC000910061928 1041169267 /nfs/dbraw/zinc/16/92/67/1041169267.db2.gz STOIRIYVWBTWFM-NSHDSACASA-N -1 0 343.345 3.822 20 0 EHADRM Cc1cc(-c2ccc3c(c2)CC[C@H]3C(=O)[O-])ccc1O[C@H]1CCOC1 ZINC000571060163 1041172494 /nfs/dbraw/zinc/17/24/94/1041172494.db2.gz APSSVCNMGTZUNS-PKOBYXMFSA-N -1 0 338.403 3.944 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N2CCCc3ccccc3C2)C(=O)[O-])cc1 ZINC000899816452 1041174230 /nfs/dbraw/zinc/17/42/30/1041174230.db2.gz DWUMMQVADLILNW-LJQANCHMSA-N -1 0 337.419 3.528 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)Nc1ccccc1COC(C)(C)C ZINC000899833492 1041179086 /nfs/dbraw/zinc/17/90/86/1041179086.db2.gz DHLAGRNPFLZCAU-KUHUBIRLSA-N -1 0 333.428 3.687 20 0 EHADRM O=C([O-])c1csc([C@@H]2CCCN2C(=O)[C@@H]2CCC=CCCC2)n1 ZINC000910103898 1041192787 /nfs/dbraw/zinc/19/27/87/1041192787.db2.gz PFFXOFCQSYLJBE-OCCSQVGLSA-N -1 0 334.441 3.641 20 0 EHADRM O=C([O-])c1csc([C@H]2CCCN2C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)n1 ZINC000910104185 1041193102 /nfs/dbraw/zinc/19/31/02/1041193102.db2.gz POYSRHGDECMNPK-OSRDXIQISA-N -1 0 348.468 3.721 20 0 EHADRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000910139183 1041199956 /nfs/dbraw/zinc/19/99/56/1041199956.db2.gz QCUAUDBBODAQRO-WCQYABFASA-N -1 0 334.803 3.503 20 0 EHADRM CC[C@](C)(CC(=O)[O-])C(=O)N[C@H](c1ccc(OC)cc1)C1CCC1 ZINC000899838710 1041202159 /nfs/dbraw/zinc/20/21/59/1041202159.db2.gz CPIFURYIZARKNJ-PKOBYXMFSA-N -1 0 333.428 3.544 20 0 EHADRM COc1ccc([C@@H](NC(=O)CC2(CC(=O)[O-])CCC2)C2CCC2)cc1 ZINC000899840703 1041202709 /nfs/dbraw/zinc/20/27/09/1041202709.db2.gz OJYIEMRSILYLDD-IBGZPJMESA-N -1 0 345.439 3.688 20 0 EHADRM C[C@@H](S[C@H](C)C(=O)Nc1cccc(COC(C)(C)C)c1)C(=O)[O-] ZINC000899843642 1041204529 /nfs/dbraw/zinc/20/45/29/1041204529.db2.gz VABCRZWSLBOGNM-VXGBXAGGSA-N -1 0 339.457 3.535 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1O ZINC000093655235 1041436198 /nfs/dbraw/zinc/43/61/98/1041436198.db2.gz VMTHHEUVUQXEIJ-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2ccc(Oc3ccccc3)nc2)cc1 ZINC000432000153 1041454214 /nfs/dbraw/zinc/45/42/14/1041454214.db2.gz GEWCEVMRMYGDFJ-UHFFFAOYSA-N -1 0 348.358 3.753 20 0 EHADRM O=S(=O)([N-]c1cccnc1Oc1ccccc1)c1ccccc1F ZINC000047211887 1041578404 /nfs/dbraw/zinc/57/84/04/1041578404.db2.gz SHWKPQDPPWRIHQ-UHFFFAOYSA-N -1 0 344.367 3.814 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC2(Cc3ccccc3)CCCC2)s1 ZINC000432097699 1041588849 /nfs/dbraw/zinc/58/88/49/1041588849.db2.gz MHMGXNFDENHGGA-UHFFFAOYSA-N -1 0 329.421 3.732 20 0 EHADRM CCCCOc1ccccc1NC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647693910 1041702193 /nfs/dbraw/zinc/70/21/93/1041702193.db2.gz UODARXNFNQJYLC-UHFFFAOYSA-N -1 0 334.416 3.584 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)c(C)n1C(C)C ZINC000236708935 1041803475 /nfs/dbraw/zinc/80/34/75/1041803475.db2.gz VHSJFVVJLVZUDA-SFHVURJKSA-N -1 0 342.439 3.940 20 0 EHADRM Cc1cc(-n2nc(-c3ccncc3)c3cc(N)ccc32)ccc1C(=O)[O-] ZINC001211663660 1041885884 /nfs/dbraw/zinc/88/58/84/1041885884.db2.gz VGMNRKYXBFPRQL-UHFFFAOYSA-N -1 0 344.374 3.676 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)cc1 ZINC000044668080 1041975566 /nfs/dbraw/zinc/97/55/66/1041975566.db2.gz TVDCKGLEDAADJX-UHFFFAOYSA-N -1 0 347.436 3.817 20 0 EHADRM C[C@@H](NCc1n[nH]c(=O)[n-]1)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC000661457496 1042132714 /nfs/dbraw/zinc/13/27/14/1042132714.db2.gz MIJVDKMOFPAGMW-ZIAGYGMSSA-N -1 0 338.411 3.501 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1c1nccc2cc(Br)ccc21 ZINC000662892337 1042201058 /nfs/dbraw/zinc/20/10/58/1042201058.db2.gz AHWOLFIDKBMBGM-CMPLNLGQSA-N -1 0 349.228 3.687 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1c1cnc2cc(Cl)c(Cl)cc2n1 ZINC000662895016 1042204520 /nfs/dbraw/zinc/20/45/20/1042204520.db2.gz XUFKAIONFYLSJH-BDAKNGLRSA-N -1 0 340.210 3.626 20 0 EHADRM O=C([O-])[C@@H](CNc1nnc(-c2ccccc2Cl)s1)C1CCC1 ZINC000662901403 1042213377 /nfs/dbraw/zinc/21/33/77/1042213377.db2.gz GHHYPMVHJSKJDR-NSHDSACASA-N -1 0 337.832 3.771 20 0 EHADRM Cc1cnc(NC[C@H](C(=O)[O-])C2CCC2)nc1-c1ccccc1F ZINC000662902979 1042217412 /nfs/dbraw/zinc/21/74/12/1042217412.db2.gz VDKGEQIFJHERHM-AWEZNQCLSA-N -1 0 329.375 3.504 20 0 EHADRM O=C([O-])c1cc(Br)ccc1NCc1ccc2c(c1)CCO2 ZINC001167781229 1042222478 /nfs/dbraw/zinc/22/24/78/1042222478.db2.gz GWFFQCHYLXPJHD-UHFFFAOYSA-N -1 0 348.196 3.694 20 0 EHADRM CC1(C)CN(C(=O)c2ncc3ccccc3c2O)CC2(CCCC2)O1 ZINC000613839208 1042347446 /nfs/dbraw/zinc/34/74/46/1042347446.db2.gz TYXUVWYCIYFYAG-UHFFFAOYSA-N -1 0 340.423 3.504 20 0 EHADRM Cc1csc(-c2ccc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc2)n1 ZINC000663032138 1042369089 /nfs/dbraw/zinc/36/90/89/1042369089.db2.gz AOZOAXVVMVIRFZ-ZDUSSCGKSA-N -1 0 332.425 3.804 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)C3(C(=O)[O-])CC=CC3)cc2s1 ZINC000663035257 1042371431 /nfs/dbraw/zinc/37/14/31/1042371431.db2.gz XMBLGEGNFFRTKD-UHFFFAOYSA-N -1 0 330.409 3.779 20 0 EHADRM COc1cc(C)ccc1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000125635013 1042405658 /nfs/dbraw/zinc/40/56/58/1042405658.db2.gz WHMNQRSUWDXYOU-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM Cc1sc(C(=O)N[C@H](C(=O)[O-])C(C)C)cc1-c1ccc(F)cc1 ZINC000236768510 1042466962 /nfs/dbraw/zinc/46/69/62/1042466962.db2.gz AVXJPBYXPHRNMR-HNNXBMFYSA-N -1 0 335.400 3.702 20 0 EHADRM CC(C)(C(=O)NC[C@@H](C(=O)[O-])C1CCC1)c1ccc2ccccc2c1 ZINC000663148399 1042494842 /nfs/dbraw/zinc/49/48/42/1042494842.db2.gz RWCDQMVNNZZNDP-GOSISDBHSA-N -1 0 339.435 3.735 20 0 EHADRM O=C([O-])CN(Cc1nc(-c2cccc(Cl)c2)no1)C1CCCCC1 ZINC000652482492 1042499315 /nfs/dbraw/zinc/49/93/15/1042499315.db2.gz CWAHOUFGIJYGGP-UHFFFAOYSA-N -1 0 349.818 3.609 20 0 EHADRM Cc1c(Cl)cccc1C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000659188309 1042522091 /nfs/dbraw/zinc/52/20/91/1042522091.db2.gz BZFRJSKXRDZYJC-IJEWVQPXSA-N -1 0 335.831 3.754 20 0 EHADRM Cc1[nH]c2c(cc(C)cc2CNC(=O)C(C)(C)CCC(=O)[O-])c1C ZINC000909400628 1042524592 /nfs/dbraw/zinc/52/45/92/1042524592.db2.gz IFZZHYBGDNGJSV-UHFFFAOYSA-N -1 0 330.428 3.600 20 0 EHADRM CN(C(=O)c1cc(F)c([O-])c(Cl)c1)[C@@H]1CCc2ccccc2C1 ZINC000184408301 1042525969 /nfs/dbraw/zinc/52/59/69/1042525969.db2.gz MMWSYNCNJKQPCI-CQSZACIVSA-N -1 0 333.790 3.814 20 0 EHADRM CC(C)(CNC(=O)c1cc(F)c([O-])c(Cl)c1)c1cccs1 ZINC000184408701 1042526917 /nfs/dbraw/zinc/52/69/17/1042526917.db2.gz WZMUSEHWPKZJAV-UHFFFAOYSA-N -1 0 327.808 3.954 20 0 EHADRM Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)cc(C)c1F ZINC000659189527 1042545215 /nfs/dbraw/zinc/54/52/15/1042545215.db2.gz GPBANBOVRQDWJN-PMPSAXMXSA-N -1 0 333.403 3.548 20 0 EHADRM O=C(c1cccc(F)c1[O-])N1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC001167792274 1042598226 /nfs/dbraw/zinc/59/82/26/1042598226.db2.gz BMVDSDYOSIIBOU-GFCCVEGCSA-N -1 0 335.325 3.829 20 0 EHADRM CCc1cnc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)s1 ZINC000663263325 1042612196 /nfs/dbraw/zinc/61/21/96/1042612196.db2.gz YGOQUZUILQUESM-CYBMUJFWSA-N -1 0 345.251 3.928 20 0 EHADRM Cn1cccc1[C@@H]1CCCCCN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000186443354 1042661333 /nfs/dbraw/zinc/66/13/33/1042661333.db2.gz CEXJOYUOPSMRIH-INIZCTEOSA-N -1 0 334.366 3.766 20 0 EHADRM CSCc1ccc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000321964129 1042681685 /nfs/dbraw/zinc/68/16/85/1042681685.db2.gz AKKVNETYYGERHA-OAHLLOKOSA-N -1 0 335.469 3.513 20 0 EHADRM COc1cc(C(=O)N2CCCC3(CCCCC3)CC2)cc(OC)c1O ZINC000188805559 1042739441 /nfs/dbraw/zinc/73/94/41/1042739441.db2.gz ULHJVZAAPZQZPT-UHFFFAOYSA-N -1 0 347.455 3.986 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1c(F)cc(Cl)cc1F)CC(=O)[O-] ZINC000663352189 1042740657 /nfs/dbraw/zinc/74/06/57/1042740657.db2.gz WSMBIORDSSNCHP-VIFPVBQESA-N -1 0 348.777 3.877 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CC[C@H](COc2ccccc2)C1 ZINC000278896904 1042868803 /nfs/dbraw/zinc/86/88/03/1042868803.db2.gz ZWRHMJISFRXRTJ-LBPRGKRZSA-N -1 0 349.789 3.726 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)c1sc2ccccc2c1Cl ZINC000317120159 1042929148 /nfs/dbraw/zinc/92/91/48/1042929148.db2.gz SHQYFERXUNMAIR-BDJLRTHQSA-N -1 0 337.828 3.928 20 0 EHADRM CC(C)(CC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC000653331650 1042967664 /nfs/dbraw/zinc/96/76/64/1042967664.db2.gz UUFRZLMPVSCRBK-ZWKOTPCHSA-N -1 0 337.419 3.784 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H]1C(=O)Nc1ccccc1SC(F)(F)F ZINC000317251865 1042970536 /nfs/dbraw/zinc/97/05/36/1042970536.db2.gz GHYJLKVLWIIFIM-BDAKNGLRSA-N -1 0 333.331 3.738 20 0 EHADRM COc1ccc(-c2ccc(CN=c3[n-]nc(C(F)F)o3)cc2)cc1 ZINC000432341772 1042976772 /nfs/dbraw/zinc/97/67/72/1042976772.db2.gz ZAMGVUKPRIGDMG-UHFFFAOYSA-N -1 0 331.322 3.717 20 0 EHADRM CCOC(=O)CCc1c(C)[n-]n(-c2ccc(Cl)cc2Cl)c1=O ZINC000315271969 1042997093 /nfs/dbraw/zinc/99/70/93/1042997093.db2.gz DUUOGNBFIQBERP-NSHDSACASA-N -1 0 343.210 3.675 20 0 EHADRM CCc1cc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)sc1C ZINC000319737678 1043001102 /nfs/dbraw/zinc/00/11/02/1043001102.db2.gz COQFOJDNOARXCJ-HNNXBMFYSA-N -1 0 331.437 3.955 20 0 EHADRM CCn1nccc1[N-]S(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000432375173 1043023712 /nfs/dbraw/zinc/02/37/12/1043023712.db2.gz RJIBVONZKZASQN-UHFFFAOYSA-N -1 0 341.845 3.572 20 0 EHADRM C[C@H](NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)c1cccc2ccccc21 ZINC000142101009 1043040552 /nfs/dbraw/zinc/04/05/52/1043040552.db2.gz QFSABRPQBJZFLE-BLLLJJGKSA-N -1 0 328.412 3.699 20 0 EHADRM Cc1ccc(-c2ncccc2[N-]S(=O)(=O)c2ccsc2)s1 ZINC000350938121 1043073278 /nfs/dbraw/zinc/07/32/78/1043073278.db2.gz IPTAHJXBWCXXCX-UHFFFAOYSA-N -1 0 336.463 3.981 20 0 EHADRM Fc1ccc(CN=c2[n-]nc(C(F)F)s2)c(Cl)c1Cl ZINC000432410300 1043112300 /nfs/dbraw/zinc/11/23/00/1043112300.db2.gz NLSMEEROLNODEK-UHFFFAOYSA-N -1 0 328.146 3.956 20 0 EHADRM C[C@H](Sc1ccccc1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000344036842 1043139481 /nfs/dbraw/zinc/13/94/81/1043139481.db2.gz TZDMACXKWNAETQ-ZDUSSCGKSA-N -1 0 329.421 3.823 20 0 EHADRM Cc1ccc(CSCC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000390928950 1043279288 /nfs/dbraw/zinc/27/92/88/1043279288.db2.gz CMQNRHQQPBWXBJ-UHFFFAOYSA-N -1 0 333.384 3.704 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000324336335 1043280125 /nfs/dbraw/zinc/28/01/25/1043280125.db2.gz CFBCFRXOIYNELQ-MRXNPFEDSA-N -1 0 344.798 3.864 20 0 EHADRM Cc1ccc(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)cc1O ZINC001211701670 1043527400 /nfs/dbraw/zinc/52/74/00/1043527400.db2.gz LAIXJVARJUMBSY-UHFFFAOYSA-N -1 0 329.377 3.844 20 0 EHADRM O=C(COc1c(Cl)cccc1Cl)NCc1ccc(O)c(F)c1 ZINC000606536657 1043580639 /nfs/dbraw/zinc/58/06/39/1043580639.db2.gz LWRYTSYDXVFZJK-UHFFFAOYSA-N -1 0 344.169 3.533 20 0 EHADRM C[C@H]1CCCC[C@H]1CC(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000647759982 1043829039 /nfs/dbraw/zinc/82/90/39/1043829039.db2.gz QINAXHLAIXQVQY-OWLYRPNTSA-N -1 0 329.440 3.530 20 0 EHADRM O=C([O-])CN(C(=O)CSCc1cccc(Cl)c1)c1ccccc1 ZINC000320070196 1043877045 /nfs/dbraw/zinc/87/70/45/1043877045.db2.gz WAUMHGYLAMKUKF-UHFFFAOYSA-N -1 0 349.839 3.691 20 0 EHADRM CCc1c([N-]c2nc(C3CCOCC3)ns2)cnn1CC(C)C ZINC000663751079 1043996905 /nfs/dbraw/zinc/99/69/05/1043996905.db2.gz XBORCPSLWWBMHG-UHFFFAOYSA-N -1 0 335.477 3.591 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000236445162 1044401714 /nfs/dbraw/zinc/40/17/14/1044401714.db2.gz BWUPDONOXNQBGY-IUCAKERBSA-N -1 0 332.158 3.738 20 0 EHADRM O=C([O-])C1(CC(=O)N(Cc2ccccc2)Cc2ccccc2)CCC1 ZINC000261553439 1044457172 /nfs/dbraw/zinc/45/71/72/1044457172.db2.gz SLJBHDUILFTHQT-UHFFFAOYSA-N -1 0 337.419 3.860 20 0 EHADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccccc1-c1ccccc1 ZINC000013948792 1044586375 /nfs/dbraw/zinc/58/63/75/1044586375.db2.gz XJMGWIDHBAQQIF-UHFFFAOYSA-N -1 0 341.436 3.505 20 0 EHADRM CN(CCCn1ccnc1)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000154993446 1125774076 /nfs/dbraw/zinc/77/40/76/1125774076.db2.gz ZLZGZKRYNISSEN-UHFFFAOYSA-N -1 0 343.814 3.558 20 0 EHADRM CCCC[C@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)C(=O)[O-] ZINC000184999285 1126732346 /nfs/dbraw/zinc/73/23/46/1126732346.db2.gz PBRLVNCVRXTMTN-NSHDSACASA-N -1 0 343.210 3.848 20 0 EHADRM C[C@H](CC(C)(C)O)NC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000622642171 1126738541 /nfs/dbraw/zinc/73/85/41/1126738541.db2.gz UGQKHDRZFYUUEB-GFCCVEGCSA-N -1 0 347.842 3.992 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccnn2[C@@H](C)C2CC2)c(C)c1 ZINC000171342547 1126762919 /nfs/dbraw/zinc/76/29/19/1126762919.db2.gz QIVCUPDMAZZLOB-AWEZNQCLSA-N -1 0 333.457 3.580 20 0 EHADRM Cc1nn(C)c2sc(C(=O)Nc3cc(C)c(C)c(C(=O)[O-])c3)cc12 ZINC000336877549 1126814113 /nfs/dbraw/zinc/81/41/13/1126814113.db2.gz QDSLKNUVBWDXID-UHFFFAOYSA-N -1 0 343.408 3.511 20 0 EHADRM CCC(CC)(CC(=O)N[C@@H](C)c1cccc(OC(C)C)c1)C(=O)[O-] ZINC000336877528 1126814303 /nfs/dbraw/zinc/81/43/03/1126814303.db2.gz PQUJQFSCROQKFH-AWEZNQCLSA-N -1 0 335.444 3.932 20 0 EHADRM CC(C)Cc1nc(=NC(=O)c2c(Cl)cccc2Cl)s[n-]1 ZINC000622939753 1126832576 /nfs/dbraw/zinc/83/25/76/1126832576.db2.gz GFDKPDBPACCTPQ-UHFFFAOYSA-N -1 0 330.240 3.718 20 0 EHADRM CCc1nc(CN(C)C(=O)c2ccc3[n-]c(=S)oc3c2)cs1 ZINC000073075092 1126997347 /nfs/dbraw/zinc/99/73/47/1126997347.db2.gz AZJJYSRIYPTMFK-UHFFFAOYSA-N -1 0 333.438 3.781 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)o1 ZINC000180133483 1127124434 /nfs/dbraw/zinc/12/44/34/1127124434.db2.gz YHSDJCSYPLNAKT-SNVBAGLBSA-N -1 0 337.784 3.598 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)c1F ZINC000181048458 1127264915 /nfs/dbraw/zinc/26/49/15/1127264915.db2.gz IYYJSETXFXKBTO-UHFFFAOYSA-N -1 0 333.306 3.954 20 0 EHADRM Cc1cccc(CS(=O)(=O)[N-][C@H](C2CCCC2)C(F)(F)F)c1 ZINC000182792178 1127347848 /nfs/dbraw/zinc/34/78/48/1127347848.db2.gz IYEXDLCKEZAGJF-CQSZACIVSA-N -1 0 335.391 3.536 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)CSc2ccc(F)c(F)c2)cc1 ZINC000325115068 1127344836 /nfs/dbraw/zinc/34/48/36/1127344836.db2.gz LOAAROAXXCMUGP-BAQGIRSFSA-N -1 0 349.358 3.793 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)CSc1cc(Cl)ccc1Cl)C1CC1 ZINC000362461720 1127359870 /nfs/dbraw/zinc/35/98/70/1127359870.db2.gz XUONIVLCBUDDMC-QMMMGPOBSA-N -1 0 348.251 3.550 20 0 EHADRM CCn1c2ccc(C)cc2nc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000184044118 1127393569 /nfs/dbraw/zinc/39/35/69/1127393569.db2.gz YWYZUPIOFVCHPU-UHFFFAOYSA-N -1 0 349.312 3.740 20 0 EHADRM C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H](c1ccccc1)C1CCCC1 ZINC000184228402 1127398746 /nfs/dbraw/zinc/39/87/46/1127398746.db2.gz DULCTTGYGPDCMW-SMDDNHRTSA-N -1 0 335.391 3.788 20 0 EHADRM Cc1ccccc1[C@@H]([N-]S(=O)(=O)[C@H](C)C(F)(F)F)C(C)(C)C ZINC000184647476 1127410149 /nfs/dbraw/zinc/41/01/49/1127410149.db2.gz DJWWVHYZZPWNCZ-DGCLKSJQSA-N -1 0 337.407 3.952 20 0 EHADRM O=C(NCc1cccc2ccccc21)c1cc(F)c(F)c([O-])c1F ZINC000184970771 1127417245 /nfs/dbraw/zinc/41/72/45/1127417245.db2.gz ZVBCISIIXPMLAQ-UHFFFAOYSA-N -1 0 331.293 3.893 20 0 EHADRM COc1c(C)cc(S(=O)(=O)[N-]c2c(C)noc2C(C)C)cc1C ZINC000901764434 1127438497 /nfs/dbraw/zinc/43/84/97/1127438497.db2.gz LHACWSYLHFFUMJ-UHFFFAOYSA-N -1 0 338.429 3.533 20 0 EHADRM O=C(Nc1nc2c(s1)CCCCC2)c1cc(F)c(F)c([O-])c1F ZINC000193921653 1127448174 /nfs/dbraw/zinc/44/81/74/1127448174.db2.gz BCSNFVYHIYUYMI-UHFFFAOYSA-N -1 0 342.342 3.787 20 0 EHADRM O=S(=O)([N-]c1ccccc1SCC(F)(F)F)c1ccoc1 ZINC000671657861 1127764233 /nfs/dbraw/zinc/76/42/33/1127764233.db2.gz XQOHWVAXXMZGTB-UHFFFAOYSA-N -1 0 337.344 3.735 20 0 EHADRM CCc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2OC)ccc1F ZINC000671662560 1127768622 /nfs/dbraw/zinc/76/86/22/1127768622.db2.gz KVELXHHFACLTBP-UHFFFAOYSA-N -1 0 343.807 3.851 20 0 EHADRM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(Cl)s1 ZINC000077879698 1127882600 /nfs/dbraw/zinc/88/26/00/1127882600.db2.gz GPZNEAJDSQODDE-SECBINFHSA-N -1 0 329.830 3.797 20 0 EHADRM C[C@H](CNC(=O)c1ccccc1Sc1ccccc1)CC(=O)[O-] ZINC000347523705 1128035559 /nfs/dbraw/zinc/03/55/59/1128035559.db2.gz RWWADOVOBVXNMJ-ZDUSSCGKSA-N -1 0 329.421 3.678 20 0 EHADRM CC(C)(C)c1nsc([N-]C(=O)c2cc(-c3ccccc3)on2)n1 ZINC000068073258 1128258395 /nfs/dbraw/zinc/25/83/95/1128258395.db2.gz SMGVHXCRIIVQSR-UHFFFAOYSA-N -1 0 328.397 3.743 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC[C@H]1c1cccnc1 ZINC000072832912 1128307504 /nfs/dbraw/zinc/30/75/04/1128307504.db2.gz VWOPNUYWTJEGOM-AWEZNQCLSA-N -1 0 325.393 3.863 20 0 EHADRM O=C(N[C@H]1CCOc2ccc(F)cc21)C(F)(F)c1ccccc1F ZINC000765787768 1128367165 /nfs/dbraw/zinc/36/71/65/1128367165.db2.gz ARCPMMZMCOCKOF-AWEZNQCLSA-N -1 0 339.288 3.697 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)[N-]S(=O)(=O)CC1CC1 ZINC000073539341 1128395593 /nfs/dbraw/zinc/39/55/93/1128395593.db2.gz FEQWKJOSKLJPDR-SECBINFHSA-N -1 0 333.862 3.517 20 0 EHADRM CCCCC[C@@H](C(=O)[N-]S(=O)(=O)c1sccc1C)C(C)C ZINC000802869645 1128399196 /nfs/dbraw/zinc/39/91/96/1128399196.db2.gz HYASYKSBRTUUOI-CYBMUJFWSA-N -1 0 331.503 3.714 20 0 EHADRM Clc1ccc2c(c1)[C@@H](N=c1[n-]c(C3CCOCC3)no1)CCC2 ZINC000624668267 1128423377 /nfs/dbraw/zinc/42/33/77/1128423377.db2.gz VEOAWBKVXDRBTF-HNNXBMFYSA-N -1 0 333.819 3.528 20 0 EHADRM COc1c(F)cc(NC(=O)CC2(C(=O)[O-])CCCCCC2)cc1F ZINC000055151392 1128506903 /nfs/dbraw/zinc/50/69/03/1128506903.db2.gz NRJCTUKCWREAHG-UHFFFAOYSA-N -1 0 341.354 3.727 20 0 EHADRM CCC[C@@H](NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655859570 1128509192 /nfs/dbraw/zinc/50/91/92/1128509192.db2.gz MWJPGTBZEUUYOR-XLNGHYISSA-N -1 0 346.471 3.962 20 0 EHADRM CSc1ccccc1[C@H](C)N=c1[n-]nc(C2CCOCC2)s1 ZINC000338713824 1128737053 /nfs/dbraw/zinc/73/70/53/1128737053.db2.gz NQPSQXROBBRQPE-NSHDSACASA-N -1 0 335.498 3.749 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1C[C@H](C(=O)[O-])[C@@H](C2CC2)C1 ZINC000262241175 1120185585 /nfs/dbraw/zinc/18/55/85/1120185585.db2.gz WDIAOHCADAWAOQ-KGLIPLIRSA-N -1 0 347.411 3.532 20 0 EHADRM Cc1ccc(-c2[n-][nH]c(=NC(=O)[C@H]3CC[C@@H](C(F)(F)F)C3)c2C)o1 ZINC000355014260 1128902818 /nfs/dbraw/zinc/90/28/18/1128902818.db2.gz HDNBSMGSTHVHGW-WDEREUQCSA-N -1 0 341.333 3.626 20 0 EHADRM CCc1ccccc1CNC(=O)N(CC(=O)[O-])[C@@H](C)c1ccccc1 ZINC000568713227 1120353412 /nfs/dbraw/zinc/35/34/12/1120353412.db2.gz MXNOEDQHHIBCOK-HNNXBMFYSA-N -1 0 340.423 3.606 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N(CCC(C)C)C2CC2)n1 ZINC000476676914 1128919992 /nfs/dbraw/zinc/91/99/92/1128919992.db2.gz OHZKBENBPAWJFN-UHFFFAOYSA-N -1 0 341.455 3.791 20 0 EHADRM Cc1occc1S([O-])=CC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000189646832 1120602867 /nfs/dbraw/zinc/60/28/67/1120602867.db2.gz UVUXOOWDGIHUJM-OZAJXLCCSA-N -1 0 341.432 3.726 20 0 EHADRM Cc1ncc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)s1 ZINC000443450302 1120671959 /nfs/dbraw/zinc/67/19/59/1120671959.db2.gz AMRPOHXWPGYPBA-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000761665872 1120769028 /nfs/dbraw/zinc/76/90/28/1120769028.db2.gz UOCJMOXBDWOFNB-SNVBAGLBSA-N -1 0 335.762 3.995 20 0 EHADRM Cc1c(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)cnc2ccccc12 ZINC000761671824 1120777971 /nfs/dbraw/zinc/77/79/71/1120777971.db2.gz YCACJHORSFWEGG-DHZHZOJOSA-N -1 0 332.359 3.893 20 0 EHADRM CC[C@@H]1CCCN(C(=O)c2cc(Br)ccc2O)CC1 ZINC000227353765 1120877532 /nfs/dbraw/zinc/87/75/32/1120877532.db2.gz OBYIMXWHSROLPD-LLVKDONJSA-N -1 0 326.234 3.807 20 0 EHADRM CCC(CC)(CC(=O)Nc1cc(F)ccc1Br)C(=O)[O-] ZINC000229541283 1120967542 /nfs/dbraw/zinc/96/75/42/1120967542.db2.gz SKGCDIGXWUZFBY-UHFFFAOYSA-N -1 0 346.196 3.808 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N2CCC[C@H]2CCC(C)C)s1 ZINC000495144754 1120968840 /nfs/dbraw/zinc/96/88/40/1120968840.db2.gz CCZOWXRPFYRDCU-NSHDSACASA-N -1 0 328.507 3.505 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CC[C@@H](C)[C@@H](C)C3)n2)c1 ZINC000495161294 1120974123 /nfs/dbraw/zinc/97/41/23/1120974123.db2.gz GENIQGIWODIXJM-CABCVRRESA-N -1 0 341.455 3.819 20 0 EHADRM CCCCC[C@@H](NC(=O)Cc1cccc2ccc(OC)cc21)C(=O)[O-] ZINC000761833622 1120975606 /nfs/dbraw/zinc/97/56/06/1120975606.db2.gz BFQOZHSEPCZCBB-GOSISDBHSA-N -1 0 343.423 3.541 20 0 EHADRM C/C(=C/C(=O)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl)C(C)(C)C ZINC000762163430 1121137231 /nfs/dbraw/zinc/13/72/31/1121137231.db2.gz OXBXMDRFMHENGV-YFHOEESVSA-N -1 0 347.839 3.585 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)CCc1ccc(Cl)cc1Cl ZINC000236709268 1121461286 /nfs/dbraw/zinc/46/12/86/1121461286.db2.gz NVBDBWVZGYNDSM-UHFFFAOYSA-N -1 0 346.254 3.885 20 0 EHADRM CC(C)Oc1ccc(/C=C/C(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000236702229 1121461319 /nfs/dbraw/zinc/46/13/19/1121461319.db2.gz FOULVSXROLFBIA-FMIVXFBMSA-N -1 0 339.391 3.753 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)CCSc2ccc(F)cc2)c1 ZINC000325886081 1121693305 /nfs/dbraw/zinc/69/33/05/1121693305.db2.gz QAJHPPRBCPEIPS-UHFFFAOYSA-N -1 0 347.411 3.964 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncc[nH]3)cc2)s1 ZINC000170033861 1121721878 /nfs/dbraw/zinc/72/18/78/1121721878.db2.gz MYKUFHJWSYRRHW-UHFFFAOYSA-N -1 0 333.438 3.501 20 0 EHADRM CCCOc1cc(C)ccc1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000056092713 1121913397 /nfs/dbraw/zinc/91/33/97/1121913397.db2.gz DTLHXSFNDSFGDN-UHFFFAOYSA-N -1 0 336.391 3.878 20 0 EHADRM O=C(Nc1ccc(Oc2cnccn2)cc1)c1c([O-])cccc1Cl ZINC000149312162 1121945893 /nfs/dbraw/zinc/94/58/93/1121945893.db2.gz FGRZUORETVUTPF-UHFFFAOYSA-N -1 0 341.754 3.880 20 0 EHADRM CCCCS(=O)(=O)[N-]C(=O)c1oc2c(ccc3ccccc23)c1C ZINC000916185423 1122085109 /nfs/dbraw/zinc/08/51/09/1122085109.db2.gz QJICAFZUUINHTF-UHFFFAOYSA-N -1 0 345.420 3.754 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)/C=C/c2ccsc2)c1C ZINC000916804889 1122351440 /nfs/dbraw/zinc/35/14/40/1122351440.db2.gz ZKQNRJOFWAALFA-AATRIKPKSA-N -1 0 349.477 3.500 20 0 EHADRM CCc1ccc(O)c([N-]S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000126209585 1122395600 /nfs/dbraw/zinc/39/56/00/1122395600.db2.gz IJYWKJDCMUTQGP-UHFFFAOYSA-N -1 0 329.780 3.548 20 0 EHADRM Cc1ccc2cccc([N-]S(=O)(=O)c3cccc(F)c3F)c2n1 ZINC000066587553 1122476083 /nfs/dbraw/zinc/47/60/83/1122476083.db2.gz TVRCHLJKBRQZMJ-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM CCOc1ccc(C(=O)[O-])cc1Nc1cnc(Cl)nc1Cl ZINC001214268270 1122494039 /nfs/dbraw/zinc/49/40/39/1122494039.db2.gz BPAAOEZSTOXFNS-UHFFFAOYSA-N -1 0 328.155 3.624 20 0 EHADRM C[C@H]1CN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC[C@@H]1c1ccccc1 ZINC000262708358 1122741946 /nfs/dbraw/zinc/74/19/46/1122741946.db2.gz KNWQPUFTWXDGSB-DKIMLUQUSA-N -1 0 329.440 3.530 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H]2CCC[C@H]21 ZINC000630280723 1122791993 /nfs/dbraw/zinc/79/19/93/1122791993.db2.gz MWGFIWYDGGZLLF-WOSRLPQWSA-N -1 0 346.814 3.537 20 0 EHADRM Cc1ccc2oc(C(=O)[N-]S(=O)(=O)c3ccc(Cl)cc3)cc2c1 ZINC000918478936 1122818456 /nfs/dbraw/zinc/81/84/56/1122818456.db2.gz JQMFKBHRKYXUPV-UHFFFAOYSA-N -1 0 349.795 3.513 20 0 EHADRM CSc1cc(C(=O)N=c2nc(-c3ccccc3)[n-]s2)ccc1F ZINC000499614918 1129087682 /nfs/dbraw/zinc/08/76/82/1129087682.db2.gz SAMURCQHOBOBPJ-UHFFFAOYSA-N -1 0 345.424 3.740 20 0 EHADRM CCCN(C(=O)N[C@H](C)c1cc2ccccc2s1)[C@@H](C)C(=O)[O-] ZINC000556707692 1123089695 /nfs/dbraw/zinc/08/96/95/1123089695.db2.gz CODDLPMVHNYCQY-NEPJUHHUSA-N -1 0 334.441 3.857 20 0 EHADRM Cc1cc(N(C)C)ccc1NC(=O)c1ccc(Br)c([O-])c1 ZINC000133123444 1123347888 /nfs/dbraw/zinc/34/78/88/1123347888.db2.gz YWUSMFGXNDLXOQ-UHFFFAOYSA-N -1 0 349.228 3.781 20 0 EHADRM Cc1ccc(C)c([N-]S(=O)(=O)c2ccccc2-c2ccno2)c1 ZINC000499339450 1123355474 /nfs/dbraw/zinc/35/54/74/1123355474.db2.gz DZINCCCOVQLORJ-UHFFFAOYSA-N -1 0 328.393 3.759 20 0 EHADRM O=C(Nc1nc(-c2cccnc2)cs1)c1c([O-])cccc1Cl ZINC000920435385 1123373481 /nfs/dbraw/zinc/37/34/81/1123373481.db2.gz FJLKLHSWFPHUNU-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)C[C@H]2CCCC[C@@H]2C)cc1 ZINC000920788770 1123423567 /nfs/dbraw/zinc/42/35/67/1123423567.db2.gz JIALPQDIVWSSAO-GOEBONIOSA-N -1 0 337.485 3.660 20 0 EHADRM C[C@H]1CCCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000920789113 1123423748 /nfs/dbraw/zinc/42/37/48/1123423748.db2.gz SGPSWWPTPFWJKH-GOEBONIOSA-N -1 0 349.496 3.587 20 0 EHADRM CC(C)(C)[C@@H]1CCc2sc(C(=O)N3CC[C@](C)(C(=O)[O-])C3)cc2C1 ZINC000236672629 1123448588 /nfs/dbraw/zinc/44/85/88/1123448588.db2.gz KRSIVEBKKCZGJA-YJYMSZOUSA-N -1 0 349.496 3.836 20 0 EHADRM CCCN(C(=O)c1cccc(C(=O)[O-])c1)[C@@H]1CCc2ccccc2C1 ZINC000236747041 1123459441 /nfs/dbraw/zinc/45/94/41/1123459441.db2.gz NAZLYHRVFHFVHR-LJQANCHMSA-N -1 0 337.419 3.795 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)c1cc(-c2ccccc2)ccc1Cl ZINC000237531002 1123523473 /nfs/dbraw/zinc/52/34/73/1123523473.db2.gz KZNZVOXASFTNND-LBPRGKRZSA-N -1 0 331.799 3.990 20 0 EHADRM COc1ccc([C@@H](NC(=O)CC2(C(=O)[O-])CCCC2)C(C)C)cc1 ZINC000013468890 1129127576 /nfs/dbraw/zinc/12/75/76/1129127576.db2.gz MBMWAUGHDDKTJM-KRWDZBQOSA-N -1 0 333.428 3.544 20 0 EHADRM CC(C)c1cc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000134961526 1123569671 /nfs/dbraw/zinc/56/96/71/1123569671.db2.gz MSWPMRDQWWUDMX-UHFFFAOYSA-N -1 0 334.228 3.641 20 0 EHADRM Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc(F)cc2C)c1O ZINC000135091789 1123581284 /nfs/dbraw/zinc/58/12/84/1123581284.db2.gz FUPFWOHZKMBMDP-UHFFFAOYSA-N -1 0 329.780 3.602 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc(F)c(Br)c2)CCCC1 ZINC000135353886 1123604644 /nfs/dbraw/zinc/60/46/44/1123604644.db2.gz MELIJAPIMDNLIR-UHFFFAOYSA-N -1 0 344.180 3.562 20 0 EHADRM CC(C)(C)c1ccc(O)c(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000013469955 1129132726 /nfs/dbraw/zinc/13/27/26/1129132726.db2.gz SOQAXPGFRNWIIP-OAHLLOKOSA-N -1 0 341.407 3.887 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2n[nH]c(-c3ccc(C)o3)c2C)cc1 ZINC000135407200 1123609616 /nfs/dbraw/zinc/60/96/16/1123609616.db2.gz WVOHAFYZTWWVPC-UHFFFAOYSA-N -1 0 345.424 3.650 20 0 EHADRM COc1ccc(-c2ccc(CNC(=O)CC(C)(C)C(=O)[O-])s2)cc1 ZINC000263260315 1123677559 /nfs/dbraw/zinc/67/75/59/1123677559.db2.gz GGOPRDMEJLMKJT-UHFFFAOYSA-N -1 0 347.436 3.541 20 0 EHADRM Cc1nn(C(C)C)cc1C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000564346656 1123681743 /nfs/dbraw/zinc/68/17/43/1123681743.db2.gz FJNGTMWTHVEVPS-UHFFFAOYSA-N -1 0 345.399 3.510 20 0 EHADRM CCN(Cc1cnn(C)c1)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000080022143 1123734662 /nfs/dbraw/zinc/73/46/62/1123734662.db2.gz BHKUNFOULJEATI-UHFFFAOYSA-N -1 0 343.814 3.595 20 0 EHADRM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000615280119 1123771092 /nfs/dbraw/zinc/77/10/92/1123771092.db2.gz BBQFUEXZHFKFCZ-UKRRQHHQSA-N -1 0 343.427 3.706 20 0 EHADRM CC(C)(CC(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1)C(F)(F)F ZINC000615282203 1123771266 /nfs/dbraw/zinc/77/12/66/1123771266.db2.gz ZSFHCXUJEWFMRX-UHFFFAOYSA-N -1 0 327.306 3.699 20 0 EHADRM O=C(Nc1c(=O)[nH][n-]c1-c1ccccc1)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000615281514 1123772573 /nfs/dbraw/zinc/77/25/73/1123772573.db2.gz QOWMRWLADSXBOK-FICVDOATSA-N -1 0 325.412 3.937 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(Cl)s2)cnn1CCC(C)C ZINC000137804080 1123777068 /nfs/dbraw/zinc/77/70/68/1123777068.db2.gz UMXRTMQUUYVFPI-UHFFFAOYSA-N -1 0 347.893 3.753 20 0 EHADRM CN(C)c1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000068038513 1123811251 /nfs/dbraw/zinc/81/12/51/1123811251.db2.gz MHWUFQCBIJJHGN-UHFFFAOYSA-N -1 0 345.251 3.860 20 0 EHADRM CCCn1ncc(NC(=O)c2ncc3ccccc3c2[O-])c1C1CC1 ZINC000615678996 1123854709 /nfs/dbraw/zinc/85/47/09/1123854709.db2.gz BLOLNCCKFXVVRC-UHFFFAOYSA-N -1 0 336.395 3.677 20 0 EHADRM Cc1cccc(C)c1NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC000081814584 1123907619 /nfs/dbraw/zinc/90/76/19/1123907619.db2.gz KNADATGERAUSCK-UHFFFAOYSA-N -1 0 339.370 3.895 20 0 EHADRM O=C([O-])c1cc(C(=O)N(Cc2ccccc2)C2CCCCC2)ccn1 ZINC000238158948 1123994683 /nfs/dbraw/zinc/99/46/83/1123994683.db2.gz KBYFNUFGZLIBCK-UHFFFAOYSA-N -1 0 338.407 3.755 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cc3ccccc3o2)c(C[NH+](C)C)c1 ZINC000084919816 1124604403 /nfs/dbraw/zinc/60/44/03/1124604403.db2.gz WARHOKPNLROAHG-UHFFFAOYSA-N -1 0 344.436 3.604 20 0 EHADRM CCc1oc(C(=O)N(CC)Cc2c[nH]c3ccccc23)cc1C(=O)[O-] ZINC000263575235 1124640691 /nfs/dbraw/zinc/64/06/91/1124640691.db2.gz OSNLFTLRKQJKGW-UHFFFAOYSA-N -1 0 340.379 3.684 20 0 EHADRM CC(C)(C(=O)[N-]S(=O)(=O)C=Cc1ccccc1)c1ccccc1 ZINC000069572140 1124904190 /nfs/dbraw/zinc/90/41/90/1124904190.db2.gz WXMSQZWAFKDEMY-YPKPFQOOSA-N -1 0 329.421 3.921 20 0 EHADRM CC[C@H](OC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c1ccc(C)c(F)c1 ZINC001127647371 1125016565 /nfs/dbraw/zinc/01/65/65/1125016565.db2.gz QWIOQSDNKWXSDB-LBPRGKRZSA-N -1 0 349.324 3.586 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)cc1 ZINC000735266914 1131327954 /nfs/dbraw/zinc/32/79/54/1131327954.db2.gz CQQJNJRPJOBAGR-UHFFFAOYSA-N -1 0 328.846 3.566 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000324898671 1125148300 /nfs/dbraw/zinc/14/83/00/1125148300.db2.gz UVRNSFXKYQTAMO-BAQGIRSFSA-N -1 0 346.726 3.598 20 0 EHADRM COc1cccc(N=c2[n-]nc(S[C@@H]3C[C@@H](C)CCC3=O)s2)c1 ZINC000450611517 1125166040 /nfs/dbraw/zinc/16/60/40/1125166040.db2.gz ISCZXCBCSCQESG-IINYFYTJSA-N -1 0 349.481 3.562 20 0 EHADRM COc1ccccc1N=c1[n-]nc(S[C@H]2C[C@H](C)CCC2=O)s1 ZINC000450635291 1125175666 /nfs/dbraw/zinc/17/56/66/1125175666.db2.gz JPKKVRTWMCQSIF-YGRLFVJLSA-N -1 0 349.481 3.562 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000619195001 1125311753 /nfs/dbraw/zinc/31/17/53/1125311753.db2.gz LDAJFTSZYYSXHP-ABAIWWIYSA-N -1 0 341.810 3.606 20 0 EHADRM Cc1ccc(Oc2ccccc2NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])cc1 ZINC000262078048 1125403090 /nfs/dbraw/zinc/40/30/90/1125403090.db2.gz KLRJHGNKTFDONN-HUUCEWRRSA-N -1 0 325.364 3.837 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000619963820 1125439917 /nfs/dbraw/zinc/43/99/17/1125439917.db2.gz OKQKEUYAZRDNFL-UHFFFAOYSA-N -1 0 335.734 3.771 20 0 EHADRM CC[C@H]1CCN(C(=O)c2cc(Cl)cc(Br)c2[O-])C1 ZINC000153165840 1125446714 /nfs/dbraw/zinc/44/67/14/1125446714.db2.gz UDTMLSGJERDZFJ-QMMMGPOBSA-N -1 0 332.625 3.680 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)c1ccc(C(=O)[O-])cc1F)C(C)C ZINC000478852256 1129280674 /nfs/dbraw/zinc/28/06/74/1129280674.db2.gz FHUGKZODPROBKI-QGZVFWFLSA-N -1 0 329.371 3.959 20 0 EHADRM C[C@H](CCCC(C)(C)O)Nc1ccc(Br)cc1C(=O)[O-] ZINC001168710665 1129329129 /nfs/dbraw/zinc/32/91/29/1129329129.db2.gz DLTJHTFPUSKCRS-SNVBAGLBSA-N -1 0 344.249 3.889 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1 ZINC000068256618 1129355805 /nfs/dbraw/zinc/35/58/05/1129355805.db2.gz HGOYJOLULLXKSF-IRXDYDNUSA-N -1 0 331.412 3.717 20 0 EHADRM C[C@H](c1ccccc1)N(C(=O)c1n[n-]c2ccccc2c1=O)C1CC1 ZINC000735655107 1131370565 /nfs/dbraw/zinc/37/05/65/1131370565.db2.gz AAWVMJRCLFITOQ-CYBMUJFWSA-N -1 0 333.391 3.701 20 0 EHADRM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1cccc(C)c1 ZINC000069118744 1129424902 /nfs/dbraw/zinc/42/49/02/1129424902.db2.gz BJKMCICPGFYQRG-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM Cc1cc(C)c(NS(=O)(=O)c2ccc(C(F)F)cc2)cc1O ZINC000673481170 1129455477 /nfs/dbraw/zinc/45/54/77/1129455477.db2.gz XJJIBXGSBNQXJX-UHFFFAOYSA-N -1 0 327.352 3.747 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C(F)(F)F)o1 ZINC000673492028 1129461356 /nfs/dbraw/zinc/46/13/56/1129461356.db2.gz GETBTSRDUOXNLE-SNVBAGLBSA-N -1 0 349.330 3.718 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000013249033 1129512182 /nfs/dbraw/zinc/51/21/82/1129512182.db2.gz DYDLHLGJFPYHQN-VHSXEESVSA-N -1 0 347.720 3.964 20 0 EHADRM COc1ccccc1C[C@H]1CCCN1C(=O)c1c(C)cccc1O ZINC000624901333 1129546473 /nfs/dbraw/zinc/54/64/73/1129546473.db2.gz UUCJISBLDRCLJV-MRXNPFEDSA-N -1 0 325.408 3.557 20 0 EHADRM COC(=O)Nc1ccc(NC(=O)c2ccc3[n-]c(=S)oc3c2)cc1 ZINC000735855240 1131386365 /nfs/dbraw/zinc/38/63/65/1131386365.db2.gz YPJNLTIICQEHNX-UHFFFAOYSA-N -1 0 343.364 3.547 20 0 EHADRM O=C(c1cc(O)ccc1Cl)N1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000391053116 1129648205 /nfs/dbraw/zinc/64/82/05/1129648205.db2.gz NOFSGHVGDZHXDV-IAOVAPTHSA-N -1 0 337.847 3.591 20 0 EHADRM N#Cc1cc(N2CCC[C@@H](CCC(=O)[O-])C2)ccc1C(F)(F)F ZINC000391427794 1129666145 /nfs/dbraw/zinc/66/61/45/1129666145.db2.gz ZRMYFXKQZYOLAJ-NSHDSACASA-N -1 0 326.318 3.658 20 0 EHADRM O=C(CC(C1CCC1)C1CCC1)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000625060671 1129719937 /nfs/dbraw/zinc/71/99/37/1129719937.db2.gz JJYZAQJWNUPGKC-UHFFFAOYSA-N -1 0 341.411 3.575 20 0 EHADRM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1cc(F)ccc1O ZINC000509078883 1129726611 /nfs/dbraw/zinc/72/66/11/1129726611.db2.gz CXEXEYNDRZCKRY-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc(SC)cc1 ZINC000509091228 1129738479 /nfs/dbraw/zinc/73/84/79/1129738479.db2.gz ZKRUSEXJEXUHML-UHFFFAOYSA-N -1 0 337.466 3.835 20 0 EHADRM CCN=c1[n-]nc(SC[C@@H](OC)c2ccc(Cl)cc2)s1 ZINC000509096927 1129744603 /nfs/dbraw/zinc/74/46/03/1129744603.db2.gz HMGZMSBXIVXQRO-LLVKDONJSA-N -1 0 329.878 3.525 20 0 EHADRM CC(C)Oc1ccccc1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000509098236 1129746946 /nfs/dbraw/zinc/74/69/46/1129746946.db2.gz KBTCTMAGLCMDNT-UHFFFAOYSA-N -1 0 342.420 3.823 20 0 EHADRM O=C(NCCCOC1CCCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC001626089723 1129748139 /nfs/dbraw/zinc/74/81/39/1129748139.db2.gz TXRZEEDIZVNGNS-UHFFFAOYSA-N -1 0 332.227 3.778 20 0 EHADRM CC(C)c1n[n-]c(=NCc2cn(C)nc2-c2ccccc2Cl)s1 ZINC000347791259 1129787331 /nfs/dbraw/zinc/78/73/31/1129787331.db2.gz FRVVVOYYDYPDIS-UHFFFAOYSA-N -1 0 347.875 3.749 20 0 EHADRM Cc1cnc(Br)cc1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212510850 1129867202 /nfs/dbraw/zinc/86/72/02/1129867202.db2.gz FVMBXVFRGAZDQX-UHFFFAOYSA-N -1 0 343.127 3.873 20 0 EHADRM O=C(Nc1ncc(Cl)s1)c1cccc(Br)c1[O-] ZINC000673938615 1129911045 /nfs/dbraw/zinc/91/10/45/1129911045.db2.gz DLUYRSPRCYHNFS-UHFFFAOYSA-N -1 0 333.594 3.517 20 0 EHADRM COC(=O)c1csc(C)c1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212512060 1129917758 /nfs/dbraw/zinc/91/77/58/1129917758.db2.gz SVYVEMYGSMFUBG-UHFFFAOYSA-N -1 0 327.308 3.563 20 0 EHADRM CC(C)(C)c1nnc2ccc(Nc3ccc(C(=O)[O-])c(F)c3F)cn21 ZINC001212512661 1129922262 /nfs/dbraw/zinc/92/22/62/1129922262.db2.gz XTRDSCFJWHNTMI-UHFFFAOYSA-N -1 0 346.337 3.747 20 0 EHADRM O=C([O-])c1ccc(Nc2c(O)cccc2Br)c(F)c1F ZINC001212513151 1129924235 /nfs/dbraw/zinc/92/42/35/1129924235.db2.gz BLCHJCRCOOUJOB-UHFFFAOYSA-N -1 0 344.111 3.875 20 0 EHADRM COc1ccc2c(c1Nc1ccc(C(=O)[O-])c(F)c1F)C(=O)CC2 ZINC001212514616 1129927310 /nfs/dbraw/zinc/92/73/10/1129927310.db2.gz CKTTXOCISBLNPA-UHFFFAOYSA-N -1 0 333.290 3.544 20 0 EHADRM CO[C@@H]1CCOc2c(Nc3ccc(C(=O)[O-])c(F)c3F)cccc21 ZINC001212515884 1129927843 /nfs/dbraw/zinc/92/78/43/1129927843.db2.gz TWAYVRSDZZOSDX-CYBMUJFWSA-N -1 0 335.306 3.877 20 0 EHADRM COc1ccc2ccc(Nc3ccc(C(=O)[O-])c(F)c3F)cc2n1 ZINC001212515521 1129928800 /nfs/dbraw/zinc/92/88/00/1129928800.db2.gz AIJURKILJLTOHL-UHFFFAOYSA-N -1 0 330.290 3.963 20 0 EHADRM COCc1ccc(CN=c2[n-]nc(Cc3ccc4ccccc4c3)o2)o1 ZINC000347871986 1129952534 /nfs/dbraw/zinc/95/25/34/1129952534.db2.gz GWWIWLRAMSJTEC-UHFFFAOYSA-N -1 0 349.390 3.587 20 0 EHADRM CSc1cccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)c1 ZINC000509203575 1129969934 /nfs/dbraw/zinc/96/99/34/1129969934.db2.gz RPEQFGMZRAWUIZ-UHFFFAOYSA-N -1 0 346.433 3.864 20 0 EHADRM CC(C)CCc1n[n-]c(=NCc2ccc(Br)s2)o1 ZINC000347880218 1129970633 /nfs/dbraw/zinc/97/06/33/1129970633.db2.gz IVMSKYKINXBGCR-UHFFFAOYSA-N -1 0 330.251 3.516 20 0 EHADRM COc1cc(Cl)c(CN=c2[n-]nc(CC(C)C)o2)cc1Cl ZINC000347882461 1129973511 /nfs/dbraw/zinc/97/35/11/1129973511.db2.gz OHLNSNQDIYWMPX-UHFFFAOYSA-N -1 0 330.215 3.618 20 0 EHADRM CSc1cccc(S(=O)(=O)[N-]c2nc(C(C)(C)C)cs2)c1 ZINC000509212426 1129982519 /nfs/dbraw/zinc/98/25/19/1129982519.db2.gz QYBMKFDYILPJLC-UHFFFAOYSA-N -1 0 342.511 3.963 20 0 EHADRM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1 ZINC000171013336 1129997772 /nfs/dbraw/zinc/99/77/72/1129997772.db2.gz QNKRUDWFJYYHGH-SECBINFHSA-N -1 0 345.342 3.612 20 0 EHADRM CC(C)CCN(C)C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000674603805 1130144375 /nfs/dbraw/zinc/14/43/75/1130144375.db2.gz WZBMPSFVEMKYKI-UHFFFAOYSA-N -1 0 329.444 3.819 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000674650119 1130163192 /nfs/dbraw/zinc/16/31/92/1130163192.db2.gz DYPLOCGHROHLAI-KGLIPLIRSA-N -1 0 341.329 3.787 20 0 EHADRM CSc1ccncc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000674714808 1130179241 /nfs/dbraw/zinc/17/92/41/1130179241.db2.gz CVQPKZBWZLIBOO-UHFFFAOYSA-N -1 0 349.264 3.911 20 0 EHADRM CSc1ccncc1[N-]S(=O)(=O)c1cc(Cl)ccc1C ZINC000674715309 1130179291 /nfs/dbraw/zinc/17/92/91/1130179291.db2.gz NTZXANBTMWZUHC-UHFFFAOYSA-N -1 0 328.846 3.566 20 0 EHADRM CN(C(=O)CC(C)(C)C(=O)[O-])c1ccc(Oc2ccccc2)cc1 ZINC000674986359 1130235941 /nfs/dbraw/zinc/23/59/41/1130235941.db2.gz RTEHDBFCFUFYQG-UHFFFAOYSA-N -1 0 327.380 3.943 20 0 EHADRM CC(C)(CC(=O)N[C@@H](Cc1ccccc1)c1cccs1)C(=O)[O-] ZINC000674992245 1130237972 /nfs/dbraw/zinc/23/79/72/1130237972.db2.gz PCCFVEUQRPAVDT-AWEZNQCLSA-N -1 0 331.437 3.649 20 0 EHADRM CCn1nccc1-c1nc(-c2ccc3[n-]c(=S)sc3c2)no1 ZINC001212540211 1130333674 /nfs/dbraw/zinc/33/36/74/1130333674.db2.gz OCHANXHZQJSMMC-UHFFFAOYSA-N -1 0 329.410 3.518 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)NCCc1ccc(-c2ccccc2)cc1 ZINC000675723449 1130462259 /nfs/dbraw/zinc/46/22/59/1130462259.db2.gz STDXSBBFWYKDEQ-PMACEKPBSA-N -1 0 349.430 3.679 20 0 EHADRM O=C([O-])CN(CC1CC1)C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000675973314 1130513245 /nfs/dbraw/zinc/51/32/45/1130513245.db2.gz SMYVOKQDKBAPQU-UHFFFAOYSA-N -1 0 333.771 3.537 20 0 EHADRM O=C([O-])CN(CC1CC1)C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000675972947 1130513708 /nfs/dbraw/zinc/51/37/08/1130513708.db2.gz MZTIMKZLEGPSKN-UHFFFAOYSA-N -1 0 344.238 3.639 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)C2(Sc3ccccc3)CCCC2)C1 ZINC000676218130 1130546477 /nfs/dbraw/zinc/54/64/77/1130546477.db2.gz HRNUOOOILMYKLV-OAHLLOKOSA-N -1 0 347.480 3.805 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)ccc1C(C)C ZINC000676218336 1130546860 /nfs/dbraw/zinc/54/68/60/1130546860.db2.gz MUKMGXRXLJUTNJ-CVEARBPZSA-N -1 0 347.455 3.599 20 0 EHADRM CCCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000727951221 1130612557 /nfs/dbraw/zinc/61/25/57/1130612557.db2.gz DIAFEVOSKXHFAG-AWEZNQCLSA-N -1 0 343.464 3.768 20 0 EHADRM O=C([O-])c1cc(/C=C\c2ncc[nH]2)nc2ccc(Br)cc21 ZINC000731159090 1130774331 /nfs/dbraw/zinc/77/43/31/1130774331.db2.gz MDFLBPJQAOYKIB-RQOWECAXSA-N -1 0 344.168 3.589 20 0 EHADRM CCC(CC)CS(=O)(=O)[N-]C(=O)CCCc1ccc(Cl)cc1 ZINC000733060661 1130990255 /nfs/dbraw/zinc/99/02/55/1130990255.db2.gz WETOJOGXLFHEJQ-UHFFFAOYSA-N -1 0 345.892 3.545 20 0 EHADRM CCC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000733674957 1131066428 /nfs/dbraw/zinc/06/64/28/1131066428.db2.gz RSNZJLRFKAWDEV-MRXNPFEDSA-N -1 0 337.485 3.797 20 0 EHADRM C[C@H]1CCCC[C@H]1CCNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000734017159 1131183988 /nfs/dbraw/zinc/18/39/88/1131183988.db2.gz CXGJBGWYLMUAFI-RYUDHWBXSA-N -1 0 345.468 3.570 20 0 EHADRM CC[C@@H](NC(=O)c1n[n-]c2ccccc2c1=O)c1ccc(Cl)s1 ZINC000734016110 1131184141 /nfs/dbraw/zinc/18/41/41/1131184141.db2.gz KTOLUAOUMLKCEJ-SNVBAGLBSA-N -1 0 347.827 3.931 20 0 EHADRM C[C@@H]1CN(c2ccc(NC(=O)c3c([O-])cccc3Cl)cc2)CCO1 ZINC000736722204 1131431358 /nfs/dbraw/zinc/43/13/58/1131431358.db2.gz SVJHCTZINMDYCL-GFCCVEGCSA-N -1 0 346.814 3.523 20 0 EHADRM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)/C=C/c1ccccc1Cl ZINC000737355498 1131447944 /nfs/dbraw/zinc/44/79/44/1131447944.db2.gz SIUODIICEXIIOK-YLSINNKHSA-N -1 0 349.839 3.560 20 0 EHADRM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc2ccccc2c1 ZINC000737356208 1131448580 /nfs/dbraw/zinc/44/85/80/1131448580.db2.gz YCCIKSVUEQSPRX-CQSZACIVSA-N -1 0 339.416 3.661 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)cc1 ZINC000738562761 1131478236 /nfs/dbraw/zinc/47/82/36/1131478236.db2.gz WBZBHEQZYTXXKK-XDHNQJSPSA-N -1 0 343.329 3.805 20 0 EHADRM CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000744004054 1132006245 /nfs/dbraw/zinc/00/62/45/1132006245.db2.gz UGWCHUBFQZDYRF-ZDUSSCGKSA-N -1 0 325.474 3.715 20 0 EHADRM CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000744005724 1132007461 /nfs/dbraw/zinc/00/74/61/1132007461.db2.gz RDWUOFGUKMCTSA-LBPRGKRZSA-N -1 0 331.865 3.751 20 0 EHADRM CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000744097452 1132022006 /nfs/dbraw/zinc/02/20/06/1132022006.db2.gz UHQLISPHXUTNHG-CQSZACIVSA-N -1 0 348.468 3.646 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCCC3)cc2)o1 ZINC000773371637 1132060197 /nfs/dbraw/zinc/06/01/97/1132060197.db2.gz ZERSVNSTZOINMJ-UHFFFAOYSA-N -1 0 334.441 3.769 20 0 EHADRM Cc1n[nH]c(C)c1[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000036736263 1132123751 /nfs/dbraw/zinc/12/37/51/1132123751.db2.gz UJCLWFODGGNRMF-UHFFFAOYSA-N -1 0 348.255 3.751 20 0 EHADRM Cc1ccccc1Nc1c(O)cc(S(=O)(=O)[O-])c2ccccc21 ZINC001173815500 1132144586 /nfs/dbraw/zinc/14/45/86/1132144586.db2.gz KXNMYAZLSYCWMH-UHFFFAOYSA-N -1 0 329.377 3.844 20 0 EHADRM CCOc1ccc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])cc1 ZINC001173852062 1132155158 /nfs/dbraw/zinc/15/51/58/1132155158.db2.gz AMGYBHPIYGSMCY-UHFFFAOYSA-N -1 0 327.789 3.729 20 0 EHADRM COc1ccc(F)cc1Nc1ccc2ccccc2c1S(=O)(=O)[O-] ZINC001173957192 1132183521 /nfs/dbraw/zinc/18/35/21/1132183521.db2.gz ZBIMJXKVFYFPQS-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM CCN(CC)C(=O)c1ccc([N-]c2nnc(-c3ccco3)o2)cc1 ZINC001174063081 1132213690 /nfs/dbraw/zinc/21/36/90/1132213690.db2.gz KUXISMYJFJHHPY-UHFFFAOYSA-N -1 0 326.356 3.555 20 0 EHADRM O=S(=O)([O-])c1c(Nc2ccnc3[nH]ccc32)ccc2ccccc21 ZINC001174413950 1132366891 /nfs/dbraw/zinc/36/68/91/1132366891.db2.gz RBSBLWFOLJBLLX-UHFFFAOYSA-N -1 0 339.376 3.658 20 0 EHADRM Cc1nc(Nc2cccc(/C=C/C(=O)[O-])c2)c(N)cc1Br ZINC001174494652 1132370808 /nfs/dbraw/zinc/37/08/08/1132370808.db2.gz DXTOVIVPXKUDDD-AATRIKPKSA-N -1 0 348.200 3.576 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2c(O)cccc2Br)c1 ZINC001174496232 1132371685 /nfs/dbraw/zinc/37/16/85/1132371685.db2.gz HLDQFYBUEAJLMG-BQYQJAHWSA-N -1 0 334.169 3.996 20 0 EHADRM O=C(N[C@H]1CCc2ccc(F)cc21)c1ccc2[n-]c(=S)oc2c1 ZINC000746229041 1132393033 /nfs/dbraw/zinc/39/30/33/1132393033.db2.gz GQYACUFCJSIXKC-ZDUSSCGKSA-N -1 0 328.368 3.673 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc(C(=O)c2ccncc2)cc1 ZINC001174676235 1132433052 /nfs/dbraw/zinc/43/30/52/1132433052.db2.gz HMJWEDLIUDPBEM-UHFFFAOYSA-N -1 0 348.358 3.763 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc(Cn2ccnc2C)cc1 ZINC001174677338 1132434221 /nfs/dbraw/zinc/43/42/21/1132434221.db2.gz IWSDNCXZLHXLGZ-UHFFFAOYSA-N -1 0 337.379 3.690 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)Nc2ccc(-n3cccn3)cc2C)c1 ZINC000190375105 1132453423 /nfs/dbraw/zinc/45/34/23/1132453423.db2.gz NPWVAZINDIKIBS-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)CC(C)(C)CC(=O)[O-])c2)oc1C ZINC000190621004 1132455153 /nfs/dbraw/zinc/45/51/53/1132455153.db2.gz NNJRZIFUOLOPPN-UHFFFAOYSA-N -1 0 330.384 3.788 20 0 EHADRM O=S(=O)([O-])c1ccc2c(cccc2Nc2ccc(O)c(F)c2)c1 ZINC001174738302 1132455430 /nfs/dbraw/zinc/45/54/30/1132455430.db2.gz XHTYXLMYMUPXGI-UHFFFAOYSA-N -1 0 333.340 3.675 20 0 EHADRM CCOc1ccc(Cl)c(Nc2ccc(S(=O)(=O)[O-])cc2)c1 ZINC001212576811 1132465078 /nfs/dbraw/zinc/46/50/78/1132465078.db2.gz YARUJBFMNITABZ-UHFFFAOYSA-N -1 0 327.789 3.729 20 0 EHADRM COc1ccc(-n2ncc(C)c2Nc2ccc(C(=O)[O-])s2)cc1 ZINC001174806676 1132478336 /nfs/dbraw/zinc/47/83/36/1132478336.db2.gz BTCKPGOBJLRZRT-UHFFFAOYSA-N -1 0 329.381 3.693 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc3nc(-c4ccccc4)nn3c2)s1 ZINC001174807840 1132479228 /nfs/dbraw/zinc/47/92/28/1132479228.db2.gz OMRBIEUFPDNCEM-UHFFFAOYSA-N -1 0 336.376 3.900 20 0 EHADRM COc1cc(Br)cc(Nc2ccc(C(=O)[O-])s2)c1 ZINC001174809614 1132480035 /nfs/dbraw/zinc/48/00/35/1132480035.db2.gz MSRBZCFMIQMJBI-UHFFFAOYSA-N -1 0 328.187 3.961 20 0 EHADRM Nc1cn(-c2ccc(CC(=O)[O-])cc2)c2ccc(Br)cc12 ZINC001174948887 1132515149 /nfs/dbraw/zinc/51/51/49/1132515149.db2.gz AXCZATHVZQBGHK-UHFFFAOYSA-N -1 0 345.196 3.602 20 0 EHADRM COC(=O)c1cc(Cl)c(Nc2ccc(CC(=O)[O-])cc2)cc1OC ZINC001174956119 1132518712 /nfs/dbraw/zinc/51/87/12/1132518712.db2.gz HJIDOVRZKDFVKS-UHFFFAOYSA-N -1 0 349.770 3.506 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000392719216 1132520952 /nfs/dbraw/zinc/52/09/52/1132520952.db2.gz ODGMZMXPTYHWOE-GFCCVEGCSA-N -1 0 347.386 3.843 20 0 EHADRM CC(C)Oc1ccccc1C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000737644494 1132521006 /nfs/dbraw/zinc/52/10/06/1132521006.db2.gz WKMFMFBUGUHZER-FMIVXFBMSA-N -1 0 325.364 3.824 20 0 EHADRM Cc1ccc(Nc2ccc(C(=O)NCC(=O)[O-])cc2)c2ccccc12 ZINC001174990055 1132522223 /nfs/dbraw/zinc/52/22/23/1132522223.db2.gz ULXGMKYESIBZRE-UHFFFAOYSA-N -1 0 334.375 3.706 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1nc(Br)cnc1Cl ZINC001174981014 1132534058 /nfs/dbraw/zinc/53/40/58/1132534058.db2.gz GMTLDOVBNFGTIR-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM COC(=O)c1cc(Nc2cc(C(=O)[O-])ccc2C)c(OC)cc1Cl ZINC001174984407 1132535052 /nfs/dbraw/zinc/53/50/52/1132535052.db2.gz NWSSFADMGNQODE-UHFFFAOYSA-N -1 0 349.770 3.885 20 0 EHADRM CC(C)(C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)C1CCCCC1 ZINC000766430909 1132542013 /nfs/dbraw/zinc/54/20/13/1132542013.db2.gz QTILGEZLDOBBGF-UHFFFAOYSA-N -1 0 329.400 3.575 20 0 EHADRM COc1cc(Nc2c(Cl)c(F)[n-]c(=O)c2Cl)cc(OC)c1 ZINC001175106547 1132554991 /nfs/dbraw/zinc/55/49/91/1132554991.db2.gz QFNVQEPBAYHIFJ-UHFFFAOYSA-N -1 0 333.146 3.994 20 0 EHADRM COc1cc(C)c(Nc2c(C)cc(C)cc2S(=O)(=O)[O-])cc1C ZINC001175115243 1132557740 /nfs/dbraw/zinc/55/77/40/1132557740.db2.gz VNNHQYYZKRKDPG-UHFFFAOYSA-N -1 0 335.425 3.919 20 0 EHADRM COC(=O)c1sc2ccncc2c1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175158009 1132569717 /nfs/dbraw/zinc/56/97/17/1132569717.db2.gz JVIKFARTFRVTSW-UHFFFAOYSA-N -1 0 346.339 3.664 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(OC[C@H]3CCCO3)c(F)c2)cc1F ZINC001175157077 1132569940 /nfs/dbraw/zinc/56/99/40/1132569940.db2.gz CQRXQYAHOJHCNI-CYBMUJFWSA-N -1 0 349.333 3.964 20 0 EHADRM COc1ccc(-c2nnsc2Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001175160698 1132571714 /nfs/dbraw/zinc/57/17/14/1132571714.db2.gz IIWMNSXWYLROKD-UHFFFAOYSA-N -1 0 345.355 3.795 20 0 EHADRM C[C@@H](Sc1nc2ccccc2s1)C(=O)[N-]Oc1ccccc1 ZINC000773464648 1132576481 /nfs/dbraw/zinc/57/64/81/1132576481.db2.gz DEWNFSVSWKEBFI-LLVKDONJSA-N -1 0 330.434 3.887 20 0 EHADRM CN1c2cc(Nc3ccc(C(=O)[O-])c(F)c3)ccc2C(C)(C)C1=O ZINC001175162425 1132586768 /nfs/dbraw/zinc/58/67/68/1132586768.db2.gz ZJJQAXSFSSRDDV-UHFFFAOYSA-N -1 0 328.343 3.522 20 0 EHADRM COc1ccccc1-c1cc(Nc2ccc(F)c(C(=O)[O-])c2)n(C)n1 ZINC001175215193 1132597010 /nfs/dbraw/zinc/59/70/10/1132597010.db2.gz KBTSRHHTNBCETL-UHFFFAOYSA-N -1 0 341.342 3.677 20 0 EHADRM Nc1cc2c(ccn2-c2ccc(F)c(C(=O)[O-])c2)cc1Br ZINC001175223847 1132599973 /nfs/dbraw/zinc/59/99/73/1132599973.db2.gz YKMALQSHXLTTCR-UHFFFAOYSA-N -1 0 349.159 3.813 20 0 EHADRM CCOc1cccc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)c1F ZINC001175239348 1132605354 /nfs/dbraw/zinc/60/53/54/1132605354.db2.gz VBPLBBYCVBAPPS-UHFFFAOYSA-N -1 0 345.779 3.868 20 0 EHADRM COc1cccc2ncnc(Nc3ccc(C(=O)[O-])c(Cl)c3)c21 ZINC001175314867 1132636012 /nfs/dbraw/zinc/63/60/12/1132636012.db2.gz CWQMOJNQWFYPTO-UHFFFAOYSA-N -1 0 329.743 3.734 20 0 EHADRM COC(=O)c1ccc(Nc2ccc(C(=O)[O-])c(Cl)c2)c(OC)c1 ZINC001175319426 1132637043 /nfs/dbraw/zinc/63/70/43/1132637043.db2.gz YEZKAOOOUXRRPK-UHFFFAOYSA-N -1 0 335.743 3.577 20 0 EHADRM O=C([O-])c1cccc(Nc2c(F)cccc2OC[C@@H]2CCCO2)c1 ZINC001175334884 1132642312 /nfs/dbraw/zinc/64/23/12/1132642312.db2.gz NJIYXYYCAFCIHN-AWEZNQCLSA-N -1 0 331.343 3.825 20 0 EHADRM C[C@@H]1C[C@@H](Nc2cc(C(F)(F)F)c(C(=O)[O-])nn2)c2ccccc21 ZINC001169370536 1132735728 /nfs/dbraw/zinc/73/57/28/1132735728.db2.gz ARERGVRBVUPYSC-PRHODGIISA-N -1 0 337.301 3.854 20 0 EHADRM CC(C)(C)CN(CC(=O)[N-]OCc1ccccc1)c1ccccc1 ZINC001169481773 1132765463 /nfs/dbraw/zinc/76/54/63/1132765463.db2.gz FPEUWABAJQLUEI-UHFFFAOYSA-N -1 0 326.440 3.787 20 0 EHADRM O=C([O-])c1cncc(Nc2ccnc3c(Br)cccc23)c1 ZINC001175839870 1132772540 /nfs/dbraw/zinc/77/25/40/1132772540.db2.gz FCLXYGUCGBHQLA-UHFFFAOYSA-N -1 0 344.168 3.834 20 0 EHADRM CCOc1ccc(-c2cc(Nc3cncc(C(=O)[O-])c3)on2)cc1 ZINC001175840053 1132772570 /nfs/dbraw/zinc/77/25/70/1132772570.db2.gz XIWIUMQRBTXFMW-UHFFFAOYSA-N -1 0 325.324 3.577 20 0 EHADRM O=C([O-])c1cncc(Nc2ccc(Cl)c(Br)c2)c1 ZINC001175842696 1132773695 /nfs/dbraw/zinc/77/36/95/1132773695.db2.gz FHOIOWNJTGEENM-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM CCN(C(=O)c1cc(C(=O)[O-])co1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000543693226 1132788210 /nfs/dbraw/zinc/78/82/10/1132788210.db2.gz PDYIFLWHBZDAQY-MRXNPFEDSA-N -1 0 347.386 3.846 20 0 EHADRM Cc1cncc(CCC(=O)Nc2ccc3[n-]c(=S)sc3c2)c1 ZINC001176059503 1132837280 /nfs/dbraw/zinc/83/72/80/1132837280.db2.gz HDJAUZUMYQYFAR-UHFFFAOYSA-N -1 0 329.450 3.860 20 0 EHADRM CN(C(=O)OC(C)(C)C)c1ccc([N-]c2nnc(C(C)(C)C)o2)cn1 ZINC001176130335 1132855791 /nfs/dbraw/zinc/85/57/91/1132855791.db2.gz DEXWGZALUIAICL-UHFFFAOYSA-N -1 0 347.419 3.877 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cc1C ZINC000766891248 1132910238 /nfs/dbraw/zinc/91/02/38/1132910238.db2.gz BINYIHFGLDVSKF-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM COc1cccc(Nc2csc(C(=O)[O-])c2)c1Br ZINC001176438851 1132928705 /nfs/dbraw/zinc/92/87/05/1132928705.db2.gz CCQNMXBNEPSOAI-UHFFFAOYSA-N -1 0 328.187 3.961 20 0 EHADRM O=S(=O)([O-])c1cccc2cc(Nc3ccc(O)cc3F)ccc21 ZINC001176413284 1132933685 /nfs/dbraw/zinc/93/36/85/1132933685.db2.gz GXFGZCAVCGMCKK-UHFFFAOYSA-N -1 0 333.340 3.675 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2ccc(C=CC(=O)[O-])cc2)cc1 ZINC000767086091 1132946733 /nfs/dbraw/zinc/94/67/33/1132946733.db2.gz KXPMKHPOPDROAS-MLPAPPSSSA-N -1 0 337.375 3.694 20 0 EHADRM CCn1cc(CC(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)c2ccccc21 ZINC000767092307 1132949048 /nfs/dbraw/zinc/94/90/48/1132949048.db2.gz PFEWHZUBCYLLMJ-XFXZXTDPSA-N -1 0 348.402 3.940 20 0 EHADRM CC(C)C[C@H](C)OCCC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000767179959 1132958396 /nfs/dbraw/zinc/95/83/96/1132958396.db2.gz MWHBGTUQSDQDBR-NSHDSACASA-N -1 0 327.808 3.818 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3cncc(OC(F)(F)F)c3)cc2)CC1 ZINC001176586491 1132960754 /nfs/dbraw/zinc/96/07/54/1132960754.db2.gz JBSAHEHIFCIMDN-UHFFFAOYSA-N -1 0 338.285 3.840 20 0 EHADRM COC(=O)CCc1ccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cc1 ZINC001176589968 1132962442 /nfs/dbraw/zinc/96/24/42/1132962442.db2.gz JZUUXMXSQWMWLJ-UHFFFAOYSA-N -1 0 339.391 3.652 20 0 EHADRM CCOC(=O)c1ccc(F)c(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1 ZINC001176589689 1132962588 /nfs/dbraw/zinc/96/25/88/1132962588.db2.gz JIVXLQCHQLFYJL-UHFFFAOYSA-N -1 0 343.354 3.862 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC001176593239 1132963425 /nfs/dbraw/zinc/96/34/25/1132963425.db2.gz WJUNQTXJYQMHHJ-LFYBBSHMSA-N -1 0 336.391 3.764 20 0 EHADRM COC(=O)c1cc(Cl)cc(Nc2ccc(/C=C/C(=O)[O-])cc2)c1O ZINC001176596077 1132964690 /nfs/dbraw/zinc/96/46/90/1132964690.db2.gz VXNWFDFFZWEGPM-QPJJXVBHSA-N -1 0 347.754 3.674 20 0 EHADRM COc1cc(C(C)=O)c(Nc2c(F)cc(F)c([O-])c2F)cc1F ZINC001176673824 1132980447 /nfs/dbraw/zinc/98/04/47/1132980447.db2.gz NNCPLCKGNAUKHX-UHFFFAOYSA-N -1 0 329.249 3.903 20 0 EHADRM O=C([O-])c1ccc(Nc2cn3cc(Br)ccc3n2)cc1 ZINC001176711819 1132995251 /nfs/dbraw/zinc/99/52/51/1132995251.db2.gz SRUJBTOUVKIAFN-UHFFFAOYSA-N -1 0 332.157 3.539 20 0 EHADRM Nc1cc(F)ccc1N(c1ccc(C(=O)[O-])cc1)[C@H]1CC[C@H](O)CC1 ZINC001176713900 1132996027 /nfs/dbraw/zinc/99/60/27/1132996027.db2.gz WSOGBSWCMMSEQU-WKILWMFISA-N -1 0 344.386 3.548 20 0 EHADRM COc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cnc1Cl ZINC000767436876 1133002137 /nfs/dbraw/zinc/00/21/37/1133002137.db2.gz APKXMVRABYJBOJ-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)C[C@H](C)CC(C)C ZINC000767548819 1133017191 /nfs/dbraw/zinc/01/71/91/1133017191.db2.gz IKIAVFDEXHCGFS-LLVKDONJSA-N -1 0 331.865 3.526 20 0 EHADRM CC(C)(C)c1cccc(NC(=O)CSc2n[n-]c(=S)s2)c1 ZINC001177344141 1133056466 /nfs/dbraw/zinc/05/64/66/1133056466.db2.gz PNVRQYYPCWXXLJ-UHFFFAOYSA-N -1 0 339.511 3.855 20 0 EHADRM C[C@H]1CC(C)(C)c2cccc(NC(=O)c3ccn(C)c3CC(=O)[O-])c21 ZINC001177367793 1133057229 /nfs/dbraw/zinc/05/72/29/1133057229.db2.gz VMRQOOQASHMTBG-LBPRGKRZSA-N -1 0 340.423 3.689 20 0 EHADRM Cn1ccc(C(=O)Nc2cccc(-c3cccs3)c2)c1CC(=O)[O-] ZINC001177370285 1133057915 /nfs/dbraw/zinc/05/79/15/1133057915.db2.gz JWMWIFJGFLBTHG-UHFFFAOYSA-N -1 0 340.404 3.633 20 0 EHADRM CC(=O)c1cc(F)c([O-])c(NC(=O)c2c(C)[nH]c3ccccc32)c1 ZINC001178428782 1133168513 /nfs/dbraw/zinc/16/85/13/1133168513.db2.gz QBWBZRLPGKEDAH-UHFFFAOYSA-N -1 0 326.327 3.776 20 0 EHADRM COCc1ccc([C@H]2CCCN2C(=O)c2cccc(Cl)c2[O-])o1 ZINC000768665647 1133168745 /nfs/dbraw/zinc/16/87/45/1133168745.db2.gz YMIUPBHIBBBVQZ-CQSZACIVSA-N -1 0 335.787 3.762 20 0 EHADRM CN(C(=O)c1cc(F)c([O-])c(F)c1)c1ccc(Br)cc1 ZINC001178530281 1133176282 /nfs/dbraw/zinc/17/62/82/1133176282.db2.gz KWGHEJRSMTUKLD-UHFFFAOYSA-N -1 0 342.139 3.710 20 0 EHADRM CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)Nc2ccccc2[S-])C1 ZINC001179485164 1133254224 /nfs/dbraw/zinc/25/42/24/1133254224.db2.gz LICZMEJMYBZLMN-SGTLLEGYSA-N -1 0 348.468 3.561 20 0 EHADRM O=C(CNc1cccc(Cl)c1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000769300553 1133257169 /nfs/dbraw/zinc/25/71/69/1133257169.db2.gz PKIYKZDRTOQYTB-UHFFFAOYSA-N -1 0 333.800 3.821 20 0 EHADRM CCC[C@@H](C(=O)N[C@H](C)c1nn(C)cc1[O-])c1ccc(Cl)cc1 ZINC001179926453 1133300515 /nfs/dbraw/zinc/30/05/15/1133300515.db2.gz FRUDGWQKBRCNOF-BXUZGUMPSA-N -1 0 335.835 3.540 20 0 EHADRM CC(C)c1ccc2c(c1)CCCN2C(=O)c1cc2c(cc1O)OCO2 ZINC000769708413 1133332451 /nfs/dbraw/zinc/33/24/51/1133332451.db2.gz FJSRQLIHTCINLH-UHFFFAOYSA-N -1 0 339.391 3.837 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cc(F)cc(Br)c2)CCCCC1 ZINC001180438614 1133370799 /nfs/dbraw/zinc/37/07/99/1133370799.db2.gz QKOZJRHWGJYWSN-UHFFFAOYSA-N -1 0 344.180 3.562 20 0 EHADRM C[C@H](NC(=O)C1(C(=O)[O-])CCCCC1)c1ccccc1C(F)(F)F ZINC001180441148 1133370849 /nfs/dbraw/zinc/37/08/49/1133370849.db2.gz WWBMHCJSLKGBTK-NSHDSACASA-N -1 0 343.345 3.918 20 0 EHADRM O=C(N[C@H](C[C@H]1CCOC1)c1ccccc1)c1c(O)cccc1Cl ZINC000770096840 1133386557 /nfs/dbraw/zinc/38/65/57/1133386557.db2.gz NAAJCBJYMLCXAB-CZUORRHYSA-N -1 0 345.826 3.943 20 0 EHADRM Cc1cc(NC[C@H](O)c2c(Cl)cccc2Cl)cnc1C(=O)[O-] ZINC001170032553 1133597034 /nfs/dbraw/zinc/59/70/34/1133597034.db2.gz NBBWMOYJYRMVTP-LBPRGKRZSA-N -1 0 341.194 3.541 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2c([O-])cccc2F)cn1 ZINC000772017273 1133629779 /nfs/dbraw/zinc/62/97/79/1133629779.db2.gz LGNBZEHGEPBCFC-UHFFFAOYSA-N -1 0 347.346 3.526 20 0 EHADRM O=C(Nc1ccccc1[S-])C1(c2ccc(Cl)cc2)CC(O)C1 ZINC001182937845 1133753531 /nfs/dbraw/zinc/75/35/31/1133753531.db2.gz IOUGPBHLQZEODJ-UHFFFAOYSA-N -1 0 333.840 3.660 20 0 EHADRM O=C(Cc1ccc([S-])cc1)Nc1nc(F)cc(C(F)(F)F)c1F ZINC001183186975 1133776947 /nfs/dbraw/zinc/77/69/47/1133776947.db2.gz YOGXRJADWPNEHP-UHFFFAOYSA-N -1 0 348.296 3.849 20 0 EHADRM C[C@H]1c2ccccc2OCCN1C(=O)c1cc(F)cc(Cl)c1[O-] ZINC001184041909 1133889905 /nfs/dbraw/zinc/88/99/05/1133889905.db2.gz UXQDYRLTVBVJQI-JTQLQIEISA-N -1 0 335.762 3.781 20 0 EHADRM C[C@@H]1C[C@H]1c1ncc(C(=O)Nc2ccc3[n-]c(=S)sc3c2)cn1 ZINC001185139418 1134034832 /nfs/dbraw/zinc/03/48/32/1134034832.db2.gz GUDOMCHZAKGSAX-LDYMZIIASA-N -1 0 342.449 3.751 20 0 EHADRM CCc1ccc(Br)cc1[N-]S(=O)(=O)c1ccsc1 ZINC001185392315 1134078435 /nfs/dbraw/zinc/07/84/35/1134078435.db2.gz NYSTZUVRPCCAPE-UHFFFAOYSA-N -1 0 346.271 3.874 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2cc3ccccc3s2)cc(OC)c1 ZINC001185421329 1134082429 /nfs/dbraw/zinc/08/24/29/1134082429.db2.gz OSJIUZFDHFOUBX-UHFFFAOYSA-N -1 0 349.433 3.719 20 0 EHADRM Cc1noc2ccc(CNC(=O)C=C([O-])c3ccccc3Cl)cc12 ZINC001185444305 1134086693 /nfs/dbraw/zinc/08/66/93/1134086693.db2.gz RPPIVGINHBFCII-UHFFFAOYSA-N -1 0 342.782 3.679 20 0 EHADRM Cn1cc2ccc([N-]S(=O)(=O)c3cc4ccccc4s3)cc2n1 ZINC001185459067 1134091246 /nfs/dbraw/zinc/09/12/46/1134091246.db2.gz DMVJQKNRCIASLM-UHFFFAOYSA-N -1 0 343.433 3.589 20 0 EHADRM O=c1[nH]oc2ccc([N-]S(=O)(=O)c3cc4ccccc4s3)cc12 ZINC001185462525 1134091940 /nfs/dbraw/zinc/09/19/40/1134091940.db2.gz FXVINZVIPCBIHT-UHFFFAOYSA-N -1 0 346.389 3.549 20 0 EHADRM CN1CCc2ccc([N-]S(=O)(=O)c3cc4ccccc4s3)cc21 ZINC001185463951 1134092657 /nfs/dbraw/zinc/09/26/57/1134092657.db2.gz JSVATOGJAISYDO-UHFFFAOYSA-N -1 0 344.461 3.694 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cnc3c(c2)CCCC3)ccc1Cl ZINC001185496773 1134098708 /nfs/dbraw/zinc/09/87/08/1134098708.db2.gz OQPWBQDQOXHOOQ-UHFFFAOYSA-N -1 0 336.844 3.723 20 0 EHADRM CCc1ccc(O)c([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)c1 ZINC001185525107 1134103256 /nfs/dbraw/zinc/10/32/56/1134103256.db2.gz QHBUTDJYCVGFAI-UHFFFAOYSA-N -1 0 325.817 3.717 20 0 EHADRM CC[C@H](C)CCC(=O)Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1 ZINC001185571327 1134107852 /nfs/dbraw/zinc/10/78/52/1134107852.db2.gz LZDWZHQEZNDNHF-LBPRGKRZSA-N -1 0 335.425 3.851 20 0 EHADRM O=S(=O)([N-]c1cccc(-c2ccccn2)c1)c1ccc(Cl)nc1 ZINC001185680357 1134124201 /nfs/dbraw/zinc/12/42/01/1134124201.db2.gz UVZQXDDTCHQSRM-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc2cccccc-2c1 ZINC001185877751 1134148432 /nfs/dbraw/zinc/14/84/32/1134148432.db2.gz SQBPVUUAGCBWEE-UHFFFAOYSA-N -1 0 341.388 3.599 20 0 EHADRM O=C(NCc1coc(-c2ccc(F)cc2)n1)c1cccc([S-])c1 ZINC001186162601 1134172622 /nfs/dbraw/zinc/17/26/22/1134172622.db2.gz CVYHJRHKHMIIHI-UHFFFAOYSA-N -1 0 328.368 3.699 20 0 EHADRM COC(=O)c1cccc2nc(NC(=O)c3cccc([S-])c3)sc21 ZINC001186131089 1134173095 /nfs/dbraw/zinc/17/30/95/1134173095.db2.gz ASSOIICGQYWNBQ-UHFFFAOYSA-N -1 0 344.417 3.624 20 0 EHADRM O=C(Nc1ccc(OC[C@H]2CCCO2)c(F)c1)c1cccc([S-])c1 ZINC001186153150 1134176059 /nfs/dbraw/zinc/17/60/59/1134176059.db2.gz WVAWQXWTSCFKDU-CQSZACIVSA-N -1 0 347.411 3.925 20 0 EHADRM Cn1ccc2cc([N-]S(=O)(=O)c3csc4ccccc43)cnc21 ZINC001186452676 1134214440 /nfs/dbraw/zinc/21/44/40/1134214440.db2.gz UIAGPGNKSWPRCV-UHFFFAOYSA-N -1 0 343.433 3.589 20 0 EHADRM C[C@H](CCOC(=O)c1cc(F)c([O-])c(F)c1)OCc1ccccc1 ZINC000789063428 1134214414 /nfs/dbraw/zinc/21/44/14/1134214414.db2.gz MLQUMFLRSZODRG-GFCCVEGCSA-N -1 0 336.334 3.823 20 0 EHADRM O=S(=O)([N-]c1cnccc1C1CC1)c1csc2ccccc21 ZINC001186454986 1134214831 /nfs/dbraw/zinc/21/48/31/1134214831.db2.gz MOZIFMUQXRKMOZ-UHFFFAOYSA-N -1 0 330.434 3.975 20 0 EHADRM O=S(=O)([N-]c1ccc2cncnc2c1)c1csc2ccccc21 ZINC001186497708 1134223021 /nfs/dbraw/zinc/22/30/21/1134223021.db2.gz DNMLABAOPPBKAB-UHFFFAOYSA-N -1 0 341.417 3.645 20 0 EHADRM CC[C@H](C)[C@@H](C)N(C1CC1)S(=O)(=O)c1cccc(Cl)c1[O-] ZINC001186742290 1134250674 /nfs/dbraw/zinc/25/06/74/1134250674.db2.gz ODYDJIFLDFDCGW-WDEREUQCSA-N -1 0 331.865 3.633 20 0 EHADRM O=C(Nc1nc(C(F)(F)F)cs1)c1cc(F)c(F)c([O-])c1F ZINC001186766236 1134255121 /nfs/dbraw/zinc/25/51/21/1134255121.db2.gz FTSRYZXIYROZNN-UHFFFAOYSA-N -1 0 342.220 3.537 20 0 EHADRM O=C(NCc1ccc(C(F)(F)F)cc1)Nc1ccnc(Cl)c1[O-] ZINC001186783975 1134258063 /nfs/dbraw/zinc/25/80/63/1134258063.db2.gz WDGMRSUTFBPDAG-UHFFFAOYSA-N -1 0 345.708 3.781 20 0 EHADRM O=S(=O)([N-]c1cnc2cc(C(F)(F)F)ccc2c1)c1ccco1 ZINC001186819936 1134262435 /nfs/dbraw/zinc/26/24/35/1134262435.db2.gz KTAWWFFSVVHWOG-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM CC1(C)CCCC[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000789452226 1134276977 /nfs/dbraw/zinc/27/69/77/1134276977.db2.gz SSZHSJRGOWVNKJ-ZDUSSCGKSA-N -1 0 343.876 3.502 20 0 EHADRM CCOCCS(=O)(=O)[N-]c1c(C)cccc1Oc1ccccc1 ZINC001187278986 1134319072 /nfs/dbraw/zinc/31/90/72/1134319072.db2.gz CIIVWBHNODFJJL-UHFFFAOYSA-N -1 0 335.425 3.566 20 0 EHADRM Cc1oncc1S(=O)(=O)[N-]c1ccc(/C=C/c2ccccc2)cc1 ZINC001187369099 1134327605 /nfs/dbraw/zinc/32/76/05/1134327605.db2.gz PGRVZDVDMPVXCX-BQYQJAHWSA-N -1 0 340.404 3.954 20 0 EHADRM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)nc2)c1 ZINC000789737455 1134330552 /nfs/dbraw/zinc/33/05/52/1134330552.db2.gz NBJVEIUYEZYFKJ-UHFFFAOYSA-N -1 0 328.796 3.798 20 0 EHADRM Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000789738920 1134331008 /nfs/dbraw/zinc/33/10/08/1134331008.db2.gz XSZRKWHCMYQSBZ-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CCCc1ccc(-c2ccc([N-]S(=O)(=O)c3c[nH]cn3)cc2)cc1 ZINC001187771503 1134376339 /nfs/dbraw/zinc/37/63/39/1134376339.db2.gz FCOIUSHPNVJBAZ-UHFFFAOYSA-N -1 0 341.436 3.830 20 0 EHADRM COc1cccc(-c2ccc([N-]S(=O)(=O)c3nccs3)cc2)c1 ZINC001187892156 1134399667 /nfs/dbraw/zinc/39/96/67/1134399667.db2.gz VQZIYSXLJHEJQA-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM COc1ccc(Cl)cc1NC(=O)Nc1c([O-])cc(F)cc1F ZINC001187924781 1134401152 /nfs/dbraw/zinc/40/11/52/1134401152.db2.gz FEUQOSNRNCLISY-UHFFFAOYSA-N -1 0 328.702 3.976 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)s1)c1ccc(Cl)nc1Cl ZINC001187933670 1134401944 /nfs/dbraw/zinc/40/19/44/1134401944.db2.gz HFKHDXGBXHDUBR-UHFFFAOYSA-N -1 0 343.644 3.904 20 0 EHADRM O=S(=O)(/C=C/c1ccc(F)cc1)[N-]c1nc(C2CCC2)cs1 ZINC000775156689 1134407380 /nfs/dbraw/zinc/40/73/80/1134407380.db2.gz GUGHQKRMVOIWRT-CMDGGOBGSA-N -1 0 338.429 3.962 20 0 EHADRM CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)[N-]OCC(F)F ZINC000790889101 1134475881 /nfs/dbraw/zinc/47/58/81/1134475881.db2.gz PLNALSTYKZIVTF-UHFFFAOYSA-N -1 0 342.169 3.711 20 0 EHADRM Cn1ccc2cc(CNC(=O)c3ccc([O-])c(C(F)(F)F)c3)ccc21 ZINC001188562772 1134476343 /nfs/dbraw/zinc/47/63/43/1134476343.db2.gz IPMWZXJVBGMPSJ-UHFFFAOYSA-N -1 0 348.324 3.833 20 0 EHADRM O=S(=O)([N-]c1c(F)cccc1OC1CCCCC1)c1ccoc1 ZINC001188614376 1134482269 /nfs/dbraw/zinc/48/22/69/1134482269.db2.gz WDJRMAODWZSYDV-UHFFFAOYSA-N -1 0 339.388 3.931 20 0 EHADRM CCC(C)(C)c1ccc(NC(=O)C(=O)[N-]OCc2ccccc2)cc1 ZINC000790917076 1134483233 /nfs/dbraw/zinc/48/32/33/1134483233.db2.gz AHASGZHZDNRKJR-UHFFFAOYSA-N -1 0 340.423 3.561 20 0 EHADRM CCc1cc(O)ccc1NC(=O)c1cccc(Br)c1[O-] ZINC000791154159 1134511989 /nfs/dbraw/zinc/51/19/89/1134511989.db2.gz MLDKANZYQJFVAG-UHFFFAOYSA-N -1 0 336.185 3.675 20 0 EHADRM O=S(=O)(Nc1ccc(F)cc1)c1ccc(Oc2cccnc2)cc1 ZINC001188846767 1134516929 /nfs/dbraw/zinc/51/69/29/1134516929.db2.gz JOAWTAKMPFICAI-UHFFFAOYSA-N -1 0 344.367 3.814 20 0 EHADRM O=C(OCc1coc(-c2cccc(F)c2)n1)c1c(F)cc([O-])cc1F ZINC000746987852 1134517739 /nfs/dbraw/zinc/51/77/39/1134517739.db2.gz RQWBCLQFXLDUKL-UHFFFAOYSA-N -1 0 349.264 3.822 20 0 EHADRM Cc1ccc(/C=C/S(=O)(=O)[N-][C@@](C)(C2CC2)C(F)(F)F)cc1 ZINC000775208851 1134520001 /nfs/dbraw/zinc/52/00/01/1134520001.db2.gz DZIPSIUVPLKRSH-HBWSCVEGSA-N -1 0 333.375 3.616 20 0 EHADRM CCCc1cc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)on1 ZINC001189495182 1134592482 /nfs/dbraw/zinc/59/24/82/1134592482.db2.gz UPEZGJRRWDIWPK-UHFFFAOYSA-N -1 0 348.346 3.588 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)sc2c1)c1cc(C(F)(F)F)[nH]n1 ZINC001189529467 1134598995 /nfs/dbraw/zinc/59/89/95/1134598995.db2.gz ZJISSXDGZCUIMY-UHFFFAOYSA-N -1 0 344.343 3.579 20 0 EHADRM Cc1ccnc2c([N-]S(=O)(=O)Cc3cc(F)ccc3F)cccc12 ZINC001189690746 1134614399 /nfs/dbraw/zinc/61/43/99/1134614399.db2.gz NBXWTPBBCVLWGR-UHFFFAOYSA-N -1 0 348.374 3.763 20 0 EHADRM CC[C@@H](C)[C@H]([N-]S(=O)(=O)CC12CCC(CC1)CC2)C(F)(F)F ZINC001189740206 1134619387 /nfs/dbraw/zinc/61/93/87/1134619387.db2.gz HLJOXLHTNYPZHX-ZIHBUVQPSA-N -1 0 341.439 3.853 20 0 EHADRM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2onc(C3CC3)c2Cl)[C@H]1C ZINC001189794323 1134628344 /nfs/dbraw/zinc/62/83/44/1134628344.db2.gz QEINGMZTRFMDNP-SCVCMEIPSA-N -1 0 346.880 3.556 20 0 EHADRM C[C@@H]1CCc2c(sc(Nc3ccc(C(=O)[O-])cc3F)c2C(N)=O)C1 ZINC001203286406 1134633033 /nfs/dbraw/zinc/63/30/33/1134633033.db2.gz QLLBPSZHVDQIRD-MRVPVSSYSA-N -1 0 348.399 3.553 20 0 EHADRM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)on1 ZINC001190349186 1134687186 /nfs/dbraw/zinc/68/71/86/1134687186.db2.gz HQHDZAVUBMVPGE-QMMMGPOBSA-N -1 0 348.346 3.796 20 0 EHADRM O=S(=O)([N-]c1cccc2ncsc21)c1cc(F)cc(F)c1F ZINC001190390517 1134689453 /nfs/dbraw/zinc/68/94/53/1134689453.db2.gz OWRXEOPZFLZQPN-UHFFFAOYSA-N -1 0 344.339 3.514 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(C)nc(C)n2)cc1 ZINC001190423394 1134698489 /nfs/dbraw/zinc/69/84/89/1134698489.db2.gz UXDYRSUHDUMLRB-UHFFFAOYSA-N -1 0 333.457 3.582 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2nc(C)ccc2O)cc1 ZINC001190424397 1134698512 /nfs/dbraw/zinc/69/85/12/1134698512.db2.gz ZJKNZHVBHFSJBI-UHFFFAOYSA-N -1 0 334.441 3.584 20 0 EHADRM Cc1ccc([C@H]2CCN(C(=O)c3n[n-]c4ccccc4c3=O)C2)c(C)c1 ZINC000792554917 1134699108 /nfs/dbraw/zinc/69/91/08/1134699108.db2.gz GTMBPHBDIZRCMM-HNNXBMFYSA-N -1 0 347.418 3.582 20 0 EHADRM O=C(Nc1ccnc(Cl)c1[O-])Nc1ccccc1OC(F)(F)F ZINC001190656801 1134733560 /nfs/dbraw/zinc/73/35/60/1134733560.db2.gz DXCHANRGJVYEIS-UHFFFAOYSA-N -1 0 347.680 3.983 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cc1-c1ccccc1)c1ncc[nH]1 ZINC001190730131 1134743771 /nfs/dbraw/zinc/74/37/71/1134743771.db2.gz RMUDIXCNPWXVNI-UHFFFAOYSA-N -1 0 333.800 3.531 20 0 EHADRM CC(C)(C)c1nnc([N-]C(=O)c2nc(-c3ccccc3)cs2)o1 ZINC001191036809 1134781479 /nfs/dbraw/zinc/78/14/79/1134781479.db2.gz AZJCPPHVUAYRLR-UHFFFAOYSA-N -1 0 328.397 3.743 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ncccc2C2CC2)c1 ZINC001191158133 1134804545 /nfs/dbraw/zinc/80/45/45/1134804545.db2.gz VWJOEHWMSTVROB-UHFFFAOYSA-N -1 0 339.420 3.616 20 0 EHADRM Cc1cc(O)cnc1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1Cl ZINC001191729439 1134907211 /nfs/dbraw/zinc/90/72/11/1134907211.db2.gz YNLKVKGYGLHNGM-UHFFFAOYSA-N -1 0 347.223 3.512 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2ccccc2n1 ZINC001191780347 1134920744 /nfs/dbraw/zinc/92/07/44/1134920744.db2.gz OZNQMJWXEBBDHM-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cncc(C2CCC2)c1 ZINC001191791977 1134924312 /nfs/dbraw/zinc/92/43/12/1134924312.db2.gz JLSWLIAQHWIJRA-UHFFFAOYSA-N -1 0 346.452 3.857 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cccc(C(=O)CC)c1 ZINC001191828477 1134932825 /nfs/dbraw/zinc/93/28/25/1134932825.db2.gz HJEKUZQHIRMELL-UHFFFAOYSA-N -1 0 347.436 3.787 20 0 EHADRM CCOc1ccccc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1F ZINC001191898303 1134941074 /nfs/dbraw/zinc/94/10/74/1134941074.db2.gz PJBQTEILGOQUGS-UHFFFAOYSA-N -1 0 343.807 3.820 20 0 EHADRM Cc1nsc([N-]S(=O)(=O)c2ccc(-c3ccc(C)cc3)cc2)n1 ZINC001192065873 1134963653 /nfs/dbraw/zinc/96/36/53/1134963653.db2.gz VOOAVPLRATYGPT-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM O=C([N-]OCc1ccc(C(F)(F)F)cc1)[C@H]1Cc2ccc(F)cc21 ZINC000793705895 1134984663 /nfs/dbraw/zinc/98/46/63/1134984663.db2.gz HKHMNCTXTKOQGP-HNNXBMFYSA-N -1 0 339.288 3.732 20 0 EHADRM O=C(Nc1cc2ccccc2cc1O)c1nc(Cc2ccccc2)no1 ZINC001192269875 1134990759 /nfs/dbraw/zinc/99/07/59/1134990759.db2.gz JIUCXDWJYOLZCM-UHFFFAOYSA-N -1 0 345.358 3.772 20 0 EHADRM C[C@H]1CCC[C@H](OCC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)C1 ZINC000747150681 1134999881 /nfs/dbraw/zinc/99/98/81/1134999881.db2.gz WXTXEZOKFUTDJG-WFASDCNBSA-N -1 0 345.361 3.849 20 0 EHADRM COC(=O)Cc1ccc(Cl)c(Nc2ccc(C(=O)[O-])cc2F)c1 ZINC001203293458 1135012580 /nfs/dbraw/zinc/01/25/80/1135012580.db2.gz NHPYQPDCGUDLIL-UHFFFAOYSA-N -1 0 337.734 3.636 20 0 EHADRM Cc1nc(C(=O)Nc2ccc(F)c(Br)c2[O-])sc1C ZINC001192608072 1135037826 /nfs/dbraw/zinc/03/78/26/1135037826.db2.gz HNKNJWMHLUTESJ-UHFFFAOYSA-N -1 0 345.193 3.619 20 0 EHADRM O=C(Nc1ccc2ncnc(Cl)c2c1)c1c(F)ccc(F)c1[O-] ZINC001192715918 1135051007 /nfs/dbraw/zinc/05/10/07/1135051007.db2.gz BJIZFJJEUBAAJR-UHFFFAOYSA-N -1 0 335.697 3.519 20 0 EHADRM CC(=O)Nc1ccc(NC(=O)c2ccc(F)c(F)c2[O-])cc1Cl ZINC001192810026 1135057107 /nfs/dbraw/zinc/05/71/07/1135057107.db2.gz CQPFOXBAMWRZCT-UHFFFAOYSA-N -1 0 340.713 3.535 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3scnc3c2)c1 ZINC001192805730 1135057200 /nfs/dbraw/zinc/05/72/00/1135057200.db2.gz OOLRRSNEJSUNOC-UHFFFAOYSA-N -1 0 348.449 3.668 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C)cc2C(C)=O)c1 ZINC001192818614 1135058738 /nfs/dbraw/zinc/05/87/38/1135058738.db2.gz PVNLAYRTOMYNLW-UHFFFAOYSA-N -1 0 347.436 3.569 20 0 EHADRM Cc1cccc(NC(=O)c2cc(F)c([O-])cc2F)c1Br ZINC001192871126 1135062171 /nfs/dbraw/zinc/06/21/71/1135062171.db2.gz BYUDCFVBWZTOHH-UHFFFAOYSA-N -1 0 342.139 3.994 20 0 EHADRM COc1ccc(-n2cccc2)c(NC(=O)c2ccc([O-])c(F)c2F)c1 ZINC001192839438 1135062563 /nfs/dbraw/zinc/06/25/63/1135062563.db2.gz GUVQPDNXCGYZLN-UHFFFAOYSA-N -1 0 344.317 3.722 20 0 EHADRM O=C(N[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1)c1cc(F)c([O-])cc1F ZINC001192888319 1135068911 /nfs/dbraw/zinc/06/89/11/1135068911.db2.gz VHSUZHCMKSTTCE-ATNYCFDYSA-N -1 0 343.373 3.983 20 0 EHADRM Cc1ccc2cccc([N-]S(=O)(=O)c3cnccc3Cl)c2c1 ZINC001192897161 1135069303 /nfs/dbraw/zinc/06/93/03/1135069303.db2.gz JMLPGXHHLZGQOC-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM COc1cccc2c([N-]S(=O)(=O)c3cnccc3Cl)cccc12 ZINC001192900374 1135070490 /nfs/dbraw/zinc/07/04/90/1135070490.db2.gz IMRQJSYSCFWKER-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM O=C(Nc1csc2cnccc12)c1cc(Cl)nc(Cl)c1[O-] ZINC001193082055 1135097212 /nfs/dbraw/zinc/09/72/12/1135097212.db2.gz FZGDXTNABLISOS-UHFFFAOYSA-N -1 0 340.191 3.956 20 0 EHADRM COC(=O)[C@@H](C)c1ccc(NC(=O)c2cccc(Cl)c2[O-])cc1 ZINC001129649926 1135131602 /nfs/dbraw/zinc/13/16/02/1135131602.db2.gz DNGSONBKMFDGRM-JTQLQIEISA-N -1 0 333.771 3.574 20 0 EHADRM O=S(=O)(CC1CCC1)[N-]c1cc(Cl)ccc1OC(F)(F)F ZINC001193516336 1135150060 /nfs/dbraw/zinc/15/00/60/1135150060.db2.gz VTRWLQFFCIRHLT-UHFFFAOYSA-N -1 0 343.754 3.780 20 0 EHADRM Cc1ccc(-n2ccnc2SCC(=O)[N-]OC2CCCC2)cc1C ZINC000775598491 1135151293 /nfs/dbraw/zinc/15/12/93/1135151293.db2.gz MGCDRRIPTRJBMY-UHFFFAOYSA-N -1 0 345.468 3.572 20 0 EHADRM O=C(Nc1nc2c(c(=O)[nH]1)CCCC2)c1coc2ccc(Cl)cc12 ZINC001129759260 1135152358 /nfs/dbraw/zinc/15/23/58/1135152358.db2.gz LXLZZLVWDYEVBB-UHFFFAOYSA-N -1 0 343.770 3.713 20 0 EHADRM O=C(c1cccc(F)c1[O-])N1CCCc2c(F)c(F)cc(F)c21 ZINC001129776072 1135159543 /nfs/dbraw/zinc/15/95/43/1135159543.db2.gz VNDAWFABZVULPH-UHFFFAOYSA-N -1 0 325.261 3.542 20 0 EHADRM CN(C)c1cc(C(=O)Nc2cc(Cl)c([O-])cc2F)cc(Cl)n1 ZINC000805258799 1135253834 /nfs/dbraw/zinc/25/38/34/1135253834.db2.gz ANSFADJYAFHVCJ-UHFFFAOYSA-N -1 0 344.173 3.551 20 0 EHADRM CC[C@@H](C)COC(=O)Nc1ccc2c(cccc2S(=O)(=O)[O-])c1 ZINC001194807957 1135323160 /nfs/dbraw/zinc/32/31/60/1135323160.db2.gz VRCHQIGMXCBTHI-LLVKDONJSA-N -1 0 337.397 3.681 20 0 EHADRM O=C(OCc1noc(-c2cccs2)n1)c1ccc([O-])c(Cl)c1 ZINC000752593597 1135344409 /nfs/dbraw/zinc/34/44/09/1135344409.db2.gz QQVLCOJMKPMUSO-UHFFFAOYSA-N -1 0 336.756 3.514 20 0 EHADRM Cc1ccc2cccc([N-]S(=O)(=O)c3cccc4nccnc43)c2c1 ZINC001194981259 1135350409 /nfs/dbraw/zinc/35/04/09/1135350409.db2.gz PRFFKYHKLQYRDG-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1n[nH]c2ccc(Cl)cc21 ZINC000807075524 1135355712 /nfs/dbraw/zinc/35/57/12/1135355712.db2.gz BWPBJUOSAXJGGN-UHFFFAOYSA-N -1 0 344.783 3.899 20 0 EHADRM C[Si](C)(C)CCS(=O)(=O)[N-]c1cc(Cl)cc2cccnc21 ZINC001195074226 1135364769 /nfs/dbraw/zinc/36/47/69/1135364769.db2.gz YIGNTSGXYGYBDA-UHFFFAOYSA-N -1 0 342.924 3.968 20 0 EHADRM COc1nc(Cl)ccc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC001195120491 1135372457 /nfs/dbraw/zinc/37/24/57/1135372457.db2.gz OXOXHVQFAGCANV-UHFFFAOYSA-N -1 0 340.832 3.668 20 0 EHADRM O=C(NC[C@H](c1ccco1)N1CCCCC1)c1cccc(Cl)c1[O-] ZINC000775642949 1135381856 /nfs/dbraw/zinc/38/18/56/1135381856.db2.gz QEOHBMIONOHHKW-OAHLLOKOSA-N -1 0 348.830 3.596 20 0 EHADRM CC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1O ZINC001195155964 1135383511 /nfs/dbraw/zinc/38/35/11/1135383511.db2.gz CNASTRVENUDMOM-UHFFFAOYSA-N -1 0 333.409 3.519 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cc(Cl)cnc1C ZINC001195276555 1135403824 /nfs/dbraw/zinc/40/38/24/1135403824.db2.gz MWPGZDIAKDEWPA-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc([C@@H](C)O)cc1 ZINC001195308359 1135411027 /nfs/dbraw/zinc/41/10/27/1135411027.db2.gz LULDSYVYSFSBCT-LLVKDONJSA-N -1 0 325.817 3.503 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(Cl)cc1O ZINC001195310316 1135411957 /nfs/dbraw/zinc/41/19/57/1135411957.db2.gz YRBPZHCZZNWCKP-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1cccc(Cl)c1[O-] ZINC000775653600 1135419659 /nfs/dbraw/zinc/41/96/59/1135419659.db2.gz KBNYUWNQSXNCEA-CQSZACIVSA-N -1 0 347.798 3.856 20 0 EHADRM CCN(Cc1ccc(OC)cc1OC)C(=O)c1cccc(Cl)c1[O-] ZINC000775657338 1135428865 /nfs/dbraw/zinc/42/88/65/1135428865.db2.gz ZSGKLBLEAGIYJI-UHFFFAOYSA-N -1 0 349.814 3.725 20 0 EHADRM Cc1csc(CCCNC(=O)c2c([O-])cc(Cl)cc2Cl)n1 ZINC000080023143 1135442173 /nfs/dbraw/zinc/44/21/73/1135442173.db2.gz SSAYMCPZRRZGMR-UHFFFAOYSA-N -1 0 345.251 3.827 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2C)cn1 ZINC001195725943 1135454729 /nfs/dbraw/zinc/45/47/29/1135454729.db2.gz WROWMZZJYBUJOP-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM O=C(Nc1nnc(-c2ccccc2)s1)c1cccc(Cl)c1[O-] ZINC000775668686 1135458382 /nfs/dbraw/zinc/45/83/82/1135458382.db2.gz GWPDXAMKUAYSRE-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM CCOC1CC2(C[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000867138708 1135483742 /nfs/dbraw/zinc/48/37/42/1135483742.db2.gz RSIUPPHOMKZJDS-KGXJWFGYSA-N -1 0 330.211 3.843 20 0 EHADRM COc1cccc(NC(=S)Nc2nc3c(cccc3O)s2)c1 ZINC001196007786 1135503087 /nfs/dbraw/zinc/50/30/87/1135503087.db2.gz OTXSHIWYRKAQFH-UHFFFAOYSA-N -1 0 331.422 3.819 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc2oc(=O)[nH]c2c1 ZINC000807179849 1135527593 /nfs/dbraw/zinc/52/75/93/1135527593.db2.gz GUZKMYSSVNAARW-UHFFFAOYSA-N -1 0 339.134 3.798 20 0 EHADRM Cc1ccc(CC(=O)Nc2cc(F)cc(Cl)c2[O-])c(Cl)n1 ZINC000807261261 1135534662 /nfs/dbraw/zinc/53/46/62/1135534662.db2.gz RWSOFCJPGGHTKV-UHFFFAOYSA-N -1 0 329.158 3.723 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cncc(-c3ccccc3)c2)c(F)c1 ZINC001196354643 1135551284 /nfs/dbraw/zinc/55/12/84/1135551284.db2.gz WBUSARZLSAYXDH-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM COc1ccnc([N-]S(=O)(=O)c2ccc3cc(Cl)ccc3c2)c1 ZINC001196414050 1135559946 /nfs/dbraw/zinc/55/99/46/1135559946.db2.gz HPIBWQWQPYBDDV-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM CSCc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)nc1C ZINC000808108336 1135618872 /nfs/dbraw/zinc/61/88/72/1135618872.db2.gz DWKLZHWZNSYBJZ-UHFFFAOYSA-N -1 0 342.873 3.707 20 0 EHADRM CN(CCCc1ccccc1)C(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197095895 1135645257 /nfs/dbraw/zinc/64/52/57/1135645257.db2.gz NOZPEHAHONYNAB-UHFFFAOYSA-N -1 0 328.437 3.646 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N2CCCc3ccccc3C2)cc1 ZINC001197096581 1135645619 /nfs/dbraw/zinc/64/56/19/1135645619.db2.gz BFOPKXQZOIABHQ-UHFFFAOYSA-N -1 0 326.421 3.530 20 0 EHADRM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)[C@H]1CC12CCCC2 ZINC000747478283 1135648037 /nfs/dbraw/zinc/64/80/37/1135648037.db2.gz FPLVCROEOSSKJO-OAHLLOKOSA-N -1 0 349.496 3.678 20 0 EHADRM CCOc1cccc([C@@H](C)NC(=S)Nc2ccc(C(=O)[O-])cc2)c1 ZINC001197136627 1135648997 /nfs/dbraw/zinc/64/89/97/1135648997.db2.gz HTDFISALGDAQMT-GFCCVEGCSA-N -1 0 344.436 3.831 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NCc2sccc2Cl)cc1 ZINC001197138935 1135649343 /nfs/dbraw/zinc/64/93/43/1135649343.db2.gz NTTNOKCHWCBNFY-UHFFFAOYSA-N -1 0 326.830 3.586 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2ccccc2OC(F)F)cc1 ZINC001197113168 1135650857 /nfs/dbraw/zinc/65/08/57/1135650857.db2.gz OTNKIMYLCNLRTB-UHFFFAOYSA-N -1 0 338.335 3.795 20 0 EHADRM Cc1nc2c(cccc2NC(=S)Nc2ccc(C(=O)[O-])cc2)o1 ZINC001197113858 1135651385 /nfs/dbraw/zinc/65/13/85/1135651385.db2.gz XBKQZGOMQUMYLB-UHFFFAOYSA-N -1 0 327.365 3.643 20 0 EHADRM COc1cccc(CS(=O)(=O)Nc2c([S-])cccc2Cl)c1 ZINC001197389872 1135683097 /nfs/dbraw/zinc/68/30/97/1135683097.db2.gz NHZZREFELNDZLG-UHFFFAOYSA-N -1 0 343.857 3.579 20 0 EHADRM O=C(C[C@H]1CCCN1C(=O)c1cccc(Cl)c1[O-])c1ccco1 ZINC000775775169 1135696139 /nfs/dbraw/zinc/69/61/39/1135696139.db2.gz WMBRFFXYLZEWLG-LLVKDONJSA-N -1 0 333.771 3.516 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2ccc(C)cc2C(F)(F)F)c1 ZINC001198005899 1135760936 /nfs/dbraw/zinc/76/09/36/1135760936.db2.gz OHPAGOZUGOUOCL-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)Cc1ccc(C)cc1 ZINC000809063231 1135770171 /nfs/dbraw/zinc/77/01/71/1135770171.db2.gz JRCZYEJESOPHEQ-QGZVFWFLSA-N -1 0 337.485 3.548 20 0 EHADRM O=S(=O)([N-]c1ccccc1-c1ccncc1)c1cccc(Cl)n1 ZINC001198238221 1135790536 /nfs/dbraw/zinc/79/05/36/1135790536.db2.gz QSXQWCBBBNNJQX-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM O=S(=O)([N-]c1ccc(F)c2ccccc12)c1cccc(Cl)n1 ZINC001198238548 1135790632 /nfs/dbraw/zinc/79/06/32/1135790632.db2.gz XBWHZSJLGORXKU-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cc3ccccc3)cc2)cn1 ZINC001198313983 1135798970 /nfs/dbraw/zinc/79/89/70/1135798970.db2.gz JXGNVZDHLDFBLM-UHFFFAOYSA-N -1 0 338.432 3.782 20 0 EHADRM Cc1ncc(S(=O)(=O)[N-]c2ccc(-c3ccccc3C)cc2)n1C ZINC001198399767 1135810379 /nfs/dbraw/zinc/81/03/79/1135810379.db2.gz GKVPUOIOEFRJDI-UHFFFAOYSA-N -1 0 341.436 3.505 20 0 EHADRM CCOC(=O)c1c(C)csc1Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203316135 1135816384 /nfs/dbraw/zinc/81/63/84/1135816384.db2.gz IZUABBXBBZGVKM-UHFFFAOYSA-N -1 0 341.335 3.953 20 0 EHADRM C[C@H]1CCc2c(C(=O)Nc3c(Cl)ccc([O-])c3Cl)n[nH]c21 ZINC001198453998 1135816594 /nfs/dbraw/zinc/81/65/94/1135816594.db2.gz QOWRMFJXOHBLOB-LURJTMIESA-N -1 0 326.183 3.724 20 0 EHADRM O=C([N-]C1(C(F)F)CCCC1)C(F)(F)c1c(F)cccc1F ZINC000809372000 1135832858 /nfs/dbraw/zinc/83/28/58/1135832858.db2.gz LTCSBMVQWVJGJM-UHFFFAOYSA-N -1 0 325.252 3.751 20 0 EHADRM CC(C)([N-]C(=O)C(F)(F)F)c1nc(C(C)(C)C2CCCCC2)no1 ZINC000809483401 1135843552 /nfs/dbraw/zinc/84/35/52/1135843552.db2.gz XHNVLBUACOJIJV-UHFFFAOYSA-N -1 0 347.381 3.841 20 0 EHADRM CC[C@H](C)[C@@H](C)C(=O)Nc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC001131875673 1135889618 /nfs/dbraw/zinc/88/96/18/1135889618.db2.gz BCJSJXVAQBJOOX-VHSXEESVSA-N -1 0 348.340 3.625 20 0 EHADRM CC[C@@H](C)n1nc(NC(=O)c2ccc3[n-]c(=S)oc3c2)cc1C ZINC000775949366 1135894483 /nfs/dbraw/zinc/89/44/83/1135894483.db2.gz ZOXUNULKKDBUJG-SECBINFHSA-N -1 0 330.413 3.845 20 0 EHADRM CCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000776097278 1135954682 /nfs/dbraw/zinc/95/46/82/1135954682.db2.gz JDVJVQGIDJPDAX-LBPRGKRZSA-N -1 0 347.427 3.517 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)sn1 ZINC001201251418 1135999213 /nfs/dbraw/zinc/99/92/13/1135999213.db2.gz IOXXFUHDYMQREB-UHFFFAOYSA-N -1 0 341.216 3.698 20 0 EHADRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1ccc(F)c(C2CC2)c1 ZINC001201764654 1136061322 /nfs/dbraw/zinc/06/13/22/1136061322.db2.gz KWTZEZOXYGXHQR-UHFFFAOYSA-N -1 0 346.836 3.922 20 0 EHADRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1cnc2ccsc2c1 ZINC001201733017 1136062535 /nfs/dbraw/zinc/06/25/35/1136062535.db2.gz GHJUQSNGHYZRHA-UHFFFAOYSA-N -1 0 345.858 3.515 20 0 EHADRM CC(=O)c1cccnc1[N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC001201792889 1136062881 /nfs/dbraw/zinc/06/28/81/1136062881.db2.gz VLJJVCFBNZKPKH-UHFFFAOYSA-N -1 0 346.452 3.627 20 0 EHADRM CC(C)OCc1cc(NC(=O)c2ccc([O-])c(Cl)c2)ccc1O ZINC000811596874 1136109685 /nfs/dbraw/zinc/10/96/85/1136109685.db2.gz YHJVIYRLMJFGBT-UHFFFAOYSA-N -1 0 335.787 3.929 20 0 EHADRM COc1ccc(NC(=O)Nc2cccc(O)c2Br)cc1 ZINC001202396134 1136141727 /nfs/dbraw/zinc/14/17/27/1136141727.db2.gz OXVNGRPVXOVQJZ-UHFFFAOYSA-N -1 0 337.173 3.807 20 0 EHADRM C[C@@H]1c2ccsc2CCN1C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811813729 1136144376 /nfs/dbraw/zinc/14/43/76/1136144376.db2.gz FCJNZUKJURMOQG-SECBINFHSA-N -1 0 335.812 3.859 20 0 EHADRM CCS[C@@H]1CCC[C@@H](NC(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000811821726 1136145577 /nfs/dbraw/zinc/14/55/77/1136145577.db2.gz OIZOQIIECKJXDN-VXGBXAGGSA-N -1 0 341.860 3.832 20 0 EHADRM CCS[C@H]1CCC[C@H](NC(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000811821725 1136145662 /nfs/dbraw/zinc/14/56/62/1136145662.db2.gz OIZOQIIECKJXDN-RYUDHWBXSA-N -1 0 341.860 3.832 20 0 EHADRM CCOC(=O)/C(=C\c1cc(C(=O)[O-])cs1)c1ccncc1Cl ZINC000812244733 1136188933 /nfs/dbraw/zinc/18/89/33/1136188933.db2.gz MQHQMDHAHZUUEN-SDQBBNPISA-N -1 0 337.784 3.598 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)nc1)c1ccc(C(F)(F)F)s1 ZINC000812267612 1136190329 /nfs/dbraw/zinc/19/03/29/1136190329.db2.gz CRLPLDHSLMLUKX-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM O=C(Nc1cc2c(cn1)CCCC2)c1ccc2[n-]c(=S)oc2c1 ZINC000812737624 1136240196 /nfs/dbraw/zinc/24/01/96/1136240196.db2.gz XFWFHMZZPRQTMD-UHFFFAOYSA-N -1 0 325.393 3.643 20 0 EHADRM CC1(CNC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)CCCCCC1 ZINC000776494096 1136307966 /nfs/dbraw/zinc/30/79/66/1136307966.db2.gz JBCNWVOBRBKKRI-UHFFFAOYSA-N -1 0 345.468 3.714 20 0 EHADRM Cc1cc(NC(=O)c2c([O-])cccc2Cl)nn1-c1cccc(F)c1 ZINC000776497040 1136314466 /nfs/dbraw/zinc/31/44/66/1136314466.db2.gz CDAXAHFUZXPBGK-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C1CCC(C)(C)CC1 ZINC000814017239 1136386592 /nfs/dbraw/zinc/38/65/92/1136386592.db2.gz VDPLGSGKPIETGY-MRXNPFEDSA-N -1 0 337.485 3.800 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)Nc2ccccc2OC2CCCC2)o1 ZINC000851594325 1136394877 /nfs/dbraw/zinc/39/48/77/1136394877.db2.gz IHORSVKDNANGBQ-BENRWUELSA-N -1 0 341.363 3.951 20 0 EHADRM CC(C)C[C@H](NC(=O)c1ccc(/C=C/C(=O)[O-])o1)c1ccccc1 ZINC000851593539 1136395136 /nfs/dbraw/zinc/39/51/36/1136395136.db2.gz ZTJUFXNNEONFIA-SOGBHIHOSA-N -1 0 327.380 3.895 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)[C@H]1CCCC2(CC2)C1)c1ccc(F)cc1F ZINC000851600273 1136395944 /nfs/dbraw/zinc/39/59/44/1136395944.db2.gz LCNQHTSQFUMULK-XHDPSFHLSA-N -1 0 337.366 3.567 20 0 EHADRM CCN(C(=O)c1ccc(/C=C/C(=O)[O-])o1)[C@H](C)Cc1ccsc1 ZINC000851605982 1136396060 /nfs/dbraw/zinc/39/60/60/1136396060.db2.gz PILVMDHIIWBSCT-HOSRBBHYSA-N -1 0 333.409 3.532 20 0 EHADRM CCCCCN(CCCCC)C(=O)c1n[n-]c2ccccc2c1=O ZINC000111569480 1136562069 /nfs/dbraw/zinc/56/20/69/1136562069.db2.gz FEZGOMVQSPJQIC-UHFFFAOYSA-N -1 0 329.444 3.746 20 0 EHADRM CC[C@H](C)CO[N-]C(=O)C(=O)Nc1ccc2oc3ccccc3c2c1 ZINC000815711184 1136631848 /nfs/dbraw/zinc/63/18/48/1136631848.db2.gz HYSNAHZAEJTARI-LBPRGKRZSA-N -1 0 340.379 3.618 20 0 EHADRM O=C(NC1CCC(C(F)F)CC1)c1ccc2oc(=S)[n-]c2c1 ZINC000854913276 1136653962 /nfs/dbraw/zinc/65/39/62/1136653962.db2.gz NLKYOQPBICLABB-UHFFFAOYSA-N -1 0 326.368 3.670 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)C(C)(C)C(C)(C)C ZINC000816001444 1136658014 /nfs/dbraw/zinc/65/80/14/1136658014.db2.gz RORMARZELSWQMQ-UHFFFAOYSA-N -1 0 331.865 3.526 20 0 EHADRM O=C([N-]S(=O)(=O)c1csc2ccccc21)[C@@H]1CC2CCC1CC2 ZINC000816082993 1136670874 /nfs/dbraw/zinc/67/08/74/1136670874.db2.gz WYOYLOWHQBTXEY-ORHYLEIMSA-N -1 0 349.477 3.533 20 0 EHADRM O=C([N-]S(=O)(=O)c1csc2ccccc21)[C@H]1CC2CCC1CC2 ZINC000816082994 1136670876 /nfs/dbraw/zinc/67/08/76/1136670876.db2.gz WYOYLOWHQBTXEY-YIZWMMSDSA-N -1 0 349.477 3.533 20 0 EHADRM CCCCCCC(=O)[N-]S(=O)(=O)[C@@H](c1ccccc1)C(C)C ZINC000816108230 1136677314 /nfs/dbraw/zinc/67/73/14/1136677314.db2.gz BHJHEGXWKLDFQA-QGZVFWFLSA-N -1 0 325.474 3.800 20 0 EHADRM CCC[C@@H](C)CC(=O)[N-]S(=O)(=O)[C@H](c1ccccc1)C(C)C ZINC000816110762 1136677655 /nfs/dbraw/zinc/67/76/55/1136677655.db2.gz ICYWBXKPXNNFFV-PBHICJAKSA-N -1 0 325.474 3.656 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CC1CC(C)(C)C1 ZINC000816112009 1136677664 /nfs/dbraw/zinc/67/76/64/1136677664.db2.gz LCEZUANNWWAGDL-QGZVFWFLSA-N -1 0 337.485 3.656 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C(F)=C1CCCC1 ZINC000816110845 1136677749 /nfs/dbraw/zinc/67/77/49/1136677749.db2.gz JZUXSPQTESODQX-MRXNPFEDSA-N -1 0 339.432 3.627 20 0 EHADRM Oc1ccc(F)c(CN2CCC[C@H]2C[C@H](O)c2cccs2)c1F ZINC000816520559 1136733197 /nfs/dbraw/zinc/73/31/97/1136733197.db2.gz RYHCHROIMIAHET-NHYWBVRUSA-N -1 0 339.407 3.820 20 0 EHADRM O=C(NCCSc1ccccc1)c1ccc2oc(=S)[n-]c2c1 ZINC000816823396 1136758353 /nfs/dbraw/zinc/75/83/53/1136758353.db2.gz SUODQDNRYFXKLL-UHFFFAOYSA-N -1 0 330.434 3.639 20 0 EHADRM CC1(C)Cc2ccccc2N(C(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC000816902543 1136764383 /nfs/dbraw/zinc/76/43/83/1136764383.db2.gz WITIMWKUYNSHJQ-UHFFFAOYSA-N -1 0 333.391 3.565 20 0 EHADRM CCCC1(c2noc([C@@H]([N-]C(=O)C(F)(F)F)C(C)C)n2)CCC1 ZINC000817098748 1136780114 /nfs/dbraw/zinc/78/01/14/1136780114.db2.gz HHTLSUIJMWCVEY-JTQLQIEISA-N -1 0 333.354 3.667 20 0 EHADRM Cc1cc([N-]S(=O)(=O)/C=C/c2cccc(Cl)c2)nn1C(C)C ZINC000817357229 1136798282 /nfs/dbraw/zinc/79/82/82/1136798282.db2.gz HPWHGWNNBUJXSS-BQYQJAHWSA-N -1 0 339.848 3.838 20 0 EHADRM C[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000114621745 1136814227 /nfs/dbraw/zinc/81/42/27/1136814227.db2.gz QQDPGMKAWRPIMT-AWEZNQCLSA-N -1 0 347.480 3.636 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2ccc(Oc3cccnc3)cc2)CCC1 ZINC000817572348 1136820945 /nfs/dbraw/zinc/82/09/45/1136820945.db2.gz QJJGQHAAELSGLF-UHFFFAOYSA-N -1 0 340.379 3.848 20 0 EHADRM Cc1cc(C)c(/C=C\C(=O)N[C@H](C)c2ncc(C(=O)[O-])s2)cc1C ZINC000856993151 1136830905 /nfs/dbraw/zinc/83/09/05/1136830905.db2.gz LDYDEQKMVKZGAG-CFHLNLSMSA-N -1 0 344.436 3.657 20 0 EHADRM CCC(CC)CCCN(C)C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000857332838 1136863937 /nfs/dbraw/zinc/86/39/37/1136863937.db2.gz INVWSLOGYUYCGA-UHFFFAOYSA-N -1 0 347.484 3.913 20 0 EHADRM O=C(NCCC1CCCCC1)c1cc(Br)cc(F)c1[O-] ZINC001136203235 1136923657 /nfs/dbraw/zinc/92/36/57/1136923657.db2.gz VKHBUTNUMAHVJH-UHFFFAOYSA-N -1 0 344.224 3.994 20 0 EHADRM C[C@@H]1CCc2nc(C(=O)Nc3cc(Cl)c([O-])c(Cl)c3)cn2C1 ZINC000857947398 1136924902 /nfs/dbraw/zinc/92/49/02/1136924902.db2.gz QNJVNZFBKXFLTG-MRVPVSSYSA-N -1 0 340.210 3.730 20 0 EHADRM CCOc1ccc2c(c1)CN(C(=O)c1ccc(Cl)c([O-])c1)CC2 ZINC001136434550 1137022659 /nfs/dbraw/zinc/02/26/59/1137022659.db2.gz BAVCPGCVDRUQLL-UHFFFAOYSA-N -1 0 331.799 3.643 20 0 EHADRM Cc1oc(CN(Cc2cccs2)C[C@H]2CCCO2)cc1C(=O)[O-] ZINC000859781704 1137030129 /nfs/dbraw/zinc/03/01/29/1137030129.db2.gz MJVIZEOGFUCBBI-CYBMUJFWSA-N -1 0 335.425 3.529 20 0 EHADRM C[C@@H]1CCCCN1C(=O)c1ccc(NCCC(C)(C)C(=O)[O-])cc1 ZINC000859799878 1137031141 /nfs/dbraw/zinc/03/11/41/1137031141.db2.gz VEUXIJJWOXXJOE-CQSZACIVSA-N -1 0 332.444 3.614 20 0 EHADRM COc1ccc(Cl)cc1CC(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000013404544 1137081149 /nfs/dbraw/zinc/08/11/49/1137081149.db2.gz SMDRDNZWSCTTRT-RUDMXATFSA-N -1 0 345.782 3.628 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)/C=C/c1ccc(Cl)cc1 ZINC000013428970 1137082100 /nfs/dbraw/zinc/08/21/00/1137082100.db2.gz AJKRAXPHGMMNFO-DHZHZOJOSA-N -1 0 343.810 3.857 20 0 EHADRM CCCCCC[C@](C)(NC(=O)c1cccc([C@@H]2CCOC2)c1)C(=O)[O-] ZINC000823328694 1137095320 /nfs/dbraw/zinc/09/53/20/1137095320.db2.gz ZKOSFVHQKSMLBT-XLIONFOSSA-N -1 0 347.455 3.734 20 0 EHADRM Cc1ccc(NCCc2ccccc2C(F)(F)F)cc1-c1nn[nH]n1 ZINC001171040090 1137121200 /nfs/dbraw/zinc/12/12/00/1137121200.db2.gz QREOTAHEQBQYOV-UHFFFAOYSA-N -1 0 347.344 3.849 20 0 EHADRM CCc1csc(CC2CCN(C(=O)c3cccc(F)c3[O-])CC2)n1 ZINC000824287770 1137130690 /nfs/dbraw/zinc/13/06/90/1137130690.db2.gz LIXZTDTWYWUAMV-UHFFFAOYSA-N -1 0 348.443 3.645 20 0 EHADRM O=C(Nc1cccc(OC(F)F)c1)c1ccc2[n-]c(=S)oc2c1 ZINC000118773897 1137131476 /nfs/dbraw/zinc/13/14/76/1137131476.db2.gz BOUGVGUSIJUOJG-UHFFFAOYSA-N -1 0 336.319 3.970 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC[C@](C)(CC)C2)n1 ZINC001136968558 1137159456 /nfs/dbraw/zinc/15/94/56/1137159456.db2.gz OJRIFTPASSVRII-FQEVSTJZSA-N -1 0 341.455 3.793 20 0 EHADRM Cc1ncc(CNc2cc(C)cc(C[N-]C(=O)C(F)(F)F)c2)s1 ZINC000825011318 1137160475 /nfs/dbraw/zinc/16/04/75/1137160475.db2.gz FZOKMJLXACDRKP-UHFFFAOYSA-N -1 0 343.374 3.551 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCc2c1cccc2Cl ZINC000119220910 1137166583 /nfs/dbraw/zinc/16/65/83/1137166583.db2.gz QEQHHVVPLVHFHI-UHFFFAOYSA-N -1 0 330.796 3.973 20 0 EHADRM C[C@@H](CN(C)C(=O)CSc1n[n-]c(=S)s1)C1CCCCC1 ZINC000863046780 1137168425 /nfs/dbraw/zinc/16/84/25/1137168425.db2.gz PQLVIUGWUULMLZ-JTQLQIEISA-N -1 0 345.559 3.594 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)N3CCC(CCF)CC3)c([O-])c2)o1 ZINC000825226744 1137169629 /nfs/dbraw/zinc/16/96/29/1137169629.db2.gz RZGPTDXQGAZVNY-UHFFFAOYSA-N -1 0 345.370 3.677 20 0 EHADRM CC(C)(C)CCCCC(=O)[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000805899971 1137178086 /nfs/dbraw/zinc/17/80/86/1137178086.db2.gz JWTWVLFXSYVXMW-UHFFFAOYSA-N -1 0 347.427 3.517 20 0 EHADRM Cc1ccc(NC(=O)CCCC(=O)[O-])c(OCc2ccccc2)c1 ZINC000844247346 1137204978 /nfs/dbraw/zinc/20/49/78/1137204978.db2.gz OOGKASVTWGSPJF-UHFFFAOYSA-N -1 0 327.380 3.767 20 0 EHADRM C[C@@H](Nc1cc2c(CC(=O)[O-])c[nH]c2cc1Cl)c1ncc(F)cn1 ZINC001171119429 1137213325 /nfs/dbraw/zinc/21/33/25/1137213325.db2.gz RTSCZUABPUYHSN-MRVPVSSYSA-N -1 0 348.765 3.551 20 0 EHADRM CC(C)(C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)[C@@H]1CCCCO1 ZINC000864099601 1137215070 /nfs/dbraw/zinc/21/50/70/1137215070.db2.gz DHLIHLHJLLOJSA-ZDUSSCGKSA-N -1 0 325.792 3.572 20 0 EHADRM CC[C@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000864104534 1137215195 /nfs/dbraw/zinc/21/51/95/1137215195.db2.gz NHSHRIGAAKHVQY-BPJJOFIESA-N -1 0 331.393 3.589 20 0 EHADRM CCOc1cccc([C@@H](C)NC(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000864105607 1137215266 /nfs/dbraw/zinc/21/52/66/1137215266.db2.gz IMOCIYLAZWYWSM-CYBMUJFWSA-N -1 0 327.380 3.583 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)/C=C\c1cc(C(=O)[O-])co1)C1CC1 ZINC000864108556 1137215509 /nfs/dbraw/zinc/21/55/09/1137215509.db2.gz DGVUSAZDZTWIHQ-GIFJBRJJSA-N -1 0 325.364 3.567 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)C2(c3cccnc3)CCCC2)cc1 ZINC000864122476 1137216270 /nfs/dbraw/zinc/21/62/70/1137216270.db2.gz VOBBULSRBABCLV-JXMROGBWSA-N -1 0 336.391 3.630 20 0 EHADRM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccsc2)c1 ZINC000794591403 1137216858 /nfs/dbraw/zinc/21/68/58/1137216858.db2.gz ZEARWRIQJMSCHT-UHFFFAOYSA-N -1 0 329.830 3.795 20 0 EHADRM Cc1cc(C)cc([C@H]2CCN(C(=O)/C=C\c3cc(C(=O)[O-])co3)C2)c1 ZINC000864136850 1137216880 /nfs/dbraw/zinc/21/68/80/1137216880.db2.gz CXXNRSZWUVQOKS-JZIMQPMSSA-N -1 0 339.391 3.624 20 0 EHADRM CSCCCCCCC(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1 ZINC000864149713 1137217121 /nfs/dbraw/zinc/21/71/21/1137217121.db2.gz WEQDDBUIJMNKSL-IRXDYDNUSA-N -1 0 349.496 3.627 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)C2([C@@H]3CCCCO3)CCC2)c1 ZINC000864149578 1137217188 /nfs/dbraw/zinc/21/71/88/1137217188.db2.gz TUXRYHDDCDFNNH-CJNGLKHVSA-N -1 0 331.412 3.553 20 0 EHADRM O=C([O-])C12CCC(CC1)N2C(=O)CCc1ccc(F)c2ccccc12 ZINC000864189781 1137218442 /nfs/dbraw/zinc/21/84/42/1137218442.db2.gz RWCFVHHVOYPKIE-UHFFFAOYSA-N -1 0 341.382 3.520 20 0 EHADRM Cc1ccc(C[C@]2(C)CCCN2C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000864195110 1137218632 /nfs/dbraw/zinc/21/86/32/1137218632.db2.gz XYEXFVKLDZJORT-UEXGIBASSA-N -1 0 343.467 3.810 20 0 EHADRM Cc1nc(C2CCN(C(=O)CCC(C)(C)C)CC2)sc1C(=O)[O-] ZINC000864223904 1137219044 /nfs/dbraw/zinc/21/90/44/1137219044.db2.gz GXNMOBHUZFANMM-UHFFFAOYSA-N -1 0 338.473 3.682 20 0 EHADRM Cc1ccc(CCC(=O)N[C@@H](CC(=O)[O-])c2cccc(C)c2)cc1 ZINC000864227513 1137219303 /nfs/dbraw/zinc/21/93/03/1137219303.db2.gz DCMXHSUMBNDHLR-SFHVURJKSA-N -1 0 325.408 3.568 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)c2ccccc21 ZINC000864229743 1137219396 /nfs/dbraw/zinc/21/93/96/1137219396.db2.gz ZYKCNVHQONRRHC-HWLIBYHHSA-N -1 0 327.424 3.808 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C(=Cc2ccccc2)OC)c1 ZINC000794624853 1137221502 /nfs/dbraw/zinc/22/15/02/1137221502.db2.gz QKYIUYUVIBJTIL-WOJGMQOQSA-N -1 0 325.364 3.611 20 0 EHADRM Cc1sc(C)c2c1[n-]c(-c1ccc(OCC(F)F)cn1)nc2=O ZINC000864356578 1137223397 /nfs/dbraw/zinc/22/33/97/1137223397.db2.gz VASWLBQGAZZFCJ-UHFFFAOYSA-N -1 0 337.351 3.720 20 0 EHADRM C[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)NCC(C)(C)C(C)(F)F ZINC000864546530 1137234148 /nfs/dbraw/zinc/23/41/48/1137234148.db2.gz LOJPMNRNYZPQHJ-GFCCVEGCSA-N -1 0 342.386 3.525 20 0 EHADRM CCCN(C(=O)Nc1ccc(F)c(C(F)F)c1)[C@H](CC)C(=O)[O-] ZINC000864584130 1137235745 /nfs/dbraw/zinc/23/57/45/1137235745.db2.gz AKPSVZBHCNHFHV-GFCCVEGCSA-N -1 0 332.322 3.870 20 0 EHADRM C/C(=C\c1ccc(-c2ccccc2OC[C@@H]2CCOC2)o1)C(=O)[O-] ZINC000864609396 1137236371 /nfs/dbraw/zinc/23/63/71/1137236371.db2.gz USXBBXWNJBTOQZ-JWAFFJSPSA-N -1 0 328.364 3.850 20 0 EHADRM CC[C@H](C)CCCCC(=O)N[C@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1 ZINC001171140800 1137241061 /nfs/dbraw/zinc/24/10/61/1137241061.db2.gz WSLZXWMVIXYNNG-GOEBONIOSA-N -1 0 344.459 3.517 20 0 EHADRM CC[C@H](C)CCCCC(=O)N[C@@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1 ZINC001171140801 1137241220 /nfs/dbraw/zinc/24/12/20/1137241220.db2.gz WSLZXWMVIXYNNG-HOCLYGCPSA-N -1 0 344.459 3.517 20 0 EHADRM CCCC(C)(C)C(=O)Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1 ZINC001144123638 1137241474 /nfs/dbraw/zinc/24/14/74/1137241474.db2.gz QUQFHMMQIBHBFS-UHFFFAOYSA-N -1 0 335.425 3.851 20 0 EHADRM Cc1nc(C=Cc2ccccc2-c2ccccc2)[nH]c(=O)c1CC(=O)[O-] ZINC000794714627 1137242890 /nfs/dbraw/zinc/24/28/90/1137242890.db2.gz TXFBPJHJYCTJQE-QXMHVHEDSA-N -1 0 346.386 3.955 20 0 EHADRM Cc1nc(C=Cc2cccc(CC3CCC3)c2)[nH]c(=O)c1CC(=O)[O-] ZINC000865224001 1137269129 /nfs/dbraw/zinc/26/91/29/1137269129.db2.gz NEBJEKVXTISUDL-CMDGGOBGSA-N -1 0 338.407 3.631 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-] ZINC000846121979 1137334449 /nfs/dbraw/zinc/33/44/49/1137334449.db2.gz FAAYVCNGNOHWLR-ZDUSSCGKSA-N -1 0 349.452 3.915 20 0 EHADRM O=C([O-])c1ccc([C@@H](NC(=O)/C=C/C2CCCC2)C(F)(F)F)cc1 ZINC000846121432 1137334547 /nfs/dbraw/zinc/33/45/47/1137334547.db2.gz YMXALLNMAYGODF-HYJLXUOHSA-N -1 0 341.329 3.851 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2cccc(C3SCCS3)c2)CC=CCC1 ZINC000846706188 1137362796 /nfs/dbraw/zinc/36/27/96/1137362796.db2.gz JAXKDDZXCMLCOS-QGZVFWFLSA-N -1 0 349.477 3.915 20 0 EHADRM O=C([O-])/C=C/c1cnc(/C=C\c2ccnn2-c2ccc(F)cc2)s1 ZINC000794941224 1137373285 /nfs/dbraw/zinc/37/32/85/1137373285.db2.gz KYIWUJGMAVKUHR-CGXWXWIYSA-N -1 0 341.367 3.736 20 0 EHADRM COC(=O)c1ccc(Cl)c(/C=C\c2ncc(/C=C\C(=O)[O-])s2)c1 ZINC000794940996 1137373540 /nfs/dbraw/zinc/37/35/40/1137373540.db2.gz HSRFSIJGCSCZFD-VKOMYYDGSA-N -1 0 349.795 3.851 20 0 EHADRM CCc1oc(C(=O)Nc2cc(F)ccc2OCC2CC2)cc1C(=O)[O-] ZINC000339087329 1137435370 /nfs/dbraw/zinc/43/53/70/1137435370.db2.gz GFIRVAKPQSLMMY-UHFFFAOYSA-N -1 0 347.342 3.720 20 0 EHADRM O=C(NCc1ccc2n[nH]cc2c1)c1cc(Cl)cc(Cl)c1[O-] ZINC001148812203 1137435621 /nfs/dbraw/zinc/43/56/21/1137435621.db2.gz RUEIRVUCVVOQPC-UHFFFAOYSA-N -1 0 336.178 3.505 20 0 EHADRM CC1(C)C[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC001148813852 1137435706 /nfs/dbraw/zinc/43/57/06/1137435706.db2.gz KADRBPUFUBPJTE-SECBINFHSA-N -1 0 332.227 3.634 20 0 EHADRM O=C(NCc1cc2ccncc2[nH]1)c1cc(Cl)cc(Cl)c1[O-] ZINC001148814171 1137435867 /nfs/dbraw/zinc/43/58/67/1137435867.db2.gz PNVHTJTUYDOAFU-UHFFFAOYSA-N -1 0 336.178 3.505 20 0 EHADRM Cc1c(C(=O)N=c2nc(-c3ccccc3)[n-]s2)ccn1C(C)C ZINC000339095094 1137468053 /nfs/dbraw/zinc/46/80/53/1137468053.db2.gz ITJNFKWPJKYHEW-UHFFFAOYSA-N -1 0 326.425 3.570 20 0 EHADRM CCc1oc(C(=O)Nc2ccc3nn(C(C)C)cc3c2)cc1C(=O)[O-] ZINC000339096662 1137473981 /nfs/dbraw/zinc/47/39/81/1137473981.db2.gz VABUCUGMYONFAS-UHFFFAOYSA-N -1 0 341.367 3.723 20 0 EHADRM O=C(CNc1cccc(C(F)(F)F)c1)[N-]OCCCC(F)(F)F ZINC000871211536 1137527270 /nfs/dbraw/zinc/52/72/70/1137527270.db2.gz VEZKUVMJCQVBBA-UHFFFAOYSA-N -1 0 344.255 3.508 20 0 EHADRM Cc1cc(SC(C)(C)C)ccc1NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000871654227 1137551601 /nfs/dbraw/zinc/55/16/01/1137551601.db2.gz RAKNNOLLBZPRDV-HAQNSBGRSA-N -1 0 336.457 3.870 20 0 EHADRM Cc1ccc(NCc2ccc(O[C@@H]3CCOC3)cc2)c(C)c1C(=O)[O-] ZINC000871884935 1137562449 /nfs/dbraw/zinc/56/24/49/1137562449.db2.gz NDZQYWVVRVKIAH-QGZVFWFLSA-N -1 0 341.407 3.781 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cc(F)c(C)cc2F)noc1C(C)(C)C ZINC000872007670 1137564343 /nfs/dbraw/zinc/56/43/43/1137564343.db2.gz XHXOMKKDMRGANN-UHFFFAOYSA-N -1 0 344.383 3.668 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cc(C)c(F)cc2F)noc1C(C)(C)C ZINC000872007382 1137564393 /nfs/dbraw/zinc/56/43/93/1137564393.db2.gz PSWQCNXGAJSTAQ-UHFFFAOYSA-N -1 0 344.383 3.668 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2cncc(C(F)F)c2)cc1C ZINC000872010426 1137564480 /nfs/dbraw/zinc/56/44/80/1137564480.db2.gz QSGLIPAHMRKBAR-UHFFFAOYSA-N -1 0 342.367 3.527 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cc2csc(C3CCCC3)n2)cc1F ZINC000872714542 1137583088 /nfs/dbraw/zinc/58/30/88/1137583088.db2.gz MABXXSMMBRKURR-UHFFFAOYSA-N -1 0 348.399 3.819 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)C(c1ccccc1)c1ccccc1)CC2 ZINC000872770193 1137584264 /nfs/dbraw/zinc/58/42/64/1137584264.db2.gz RFMMFDXESYCMHM-GCJKJVERSA-N -1 0 349.430 3.674 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H]1C(=O)Nc1cccc(COc2ccccc2)c1 ZINC000872837307 1137585217 /nfs/dbraw/zinc/58/52/17/1137585217.db2.gz CZMOPTPZEVCSDD-MSOLQXFVSA-N -1 0 339.391 3.705 20 0 EHADRM CC(C)Oc1ccc(NC(=O)C(C)(C)SCC(=O)[O-])cc1Cl ZINC000872835175 1137585282 /nfs/dbraw/zinc/58/52/82/1137585282.db2.gz XQCVITPTJODLNA-UHFFFAOYSA-N -1 0 345.848 3.662 20 0 EHADRM O=C([O-])C1=C(C(=O)Nc2cccc(SC(F)F)c2)CCCC1 ZINC000872842854 1137585392 /nfs/dbraw/zinc/58/53/92/1137585392.db2.gz CEYRRQAWKXACJP-UHFFFAOYSA-N -1 0 327.352 3.895 20 0 EHADRM Cc1coc(-c2ccc(C)c(NC(=O)C3=C(C(=O)[O-])CCCC3)c2)n1 ZINC000872850296 1137585585 /nfs/dbraw/zinc/58/55/85/1137585585.db2.gz WEXFKXLIWLMLDZ-UHFFFAOYSA-N -1 0 340.379 3.852 20 0 EHADRM Cc1c(NC(=O)C[C@]2(C(=O)[O-])CCc3ccccc32)ccc(F)c1F ZINC000872874807 1137585883 /nfs/dbraw/zinc/58/58/83/1137585883.db2.gz PGYLHZVFFFHTIE-LJQANCHMSA-N -1 0 345.345 3.571 20 0 EHADRM CCc1oc2ccccc2c1CN(C)C(=O)C(C)(C)SCC(=O)[O-] ZINC000872891170 1137586138 /nfs/dbraw/zinc/58/61/38/1137586138.db2.gz RKGGEKILLJCSOE-UHFFFAOYSA-N -1 0 349.452 3.550 20 0 EHADRM CC[C@@H](NC(=O)C[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1OC ZINC000872896714 1137586216 /nfs/dbraw/zinc/58/62/16/1137586216.db2.gz SZIVNOIKGWHOMB-IAGOWNOFSA-N -1 0 341.407 3.521 20 0 EHADRM CCC(CC)(CC(=O)Nc1ccc2nn(C(C)C)cc2c1)C(=O)[O-] ZINC000872936156 1137586659 /nfs/dbraw/zinc/58/66/59/1137586659.db2.gz ZQWMAOCLGTWBMY-UHFFFAOYSA-N -1 0 331.416 3.837 20 0 EHADRM O=C([O-])CC1(CC(=O)N[C@@H]2CC3(CCC3)Oc3ccccc32)CCC1 ZINC000872954619 1137586940 /nfs/dbraw/zinc/58/69/40/1137586940.db2.gz ZFYIDAJGZDFAKV-OAHLLOKOSA-N -1 0 343.423 3.584 20 0 EHADRM C[C@@]1(C(F)(F)F)CCN(C(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000874479889 1137615204 /nfs/dbraw/zinc/61/52/04/1137615204.db2.gz MEHRVKXWYIGDIJ-CYBMUJFWSA-N -1 0 330.331 3.531 20 0 EHADRM Cc1csc([C@@H]2CCN(C(=O)c3ccc4oc(=S)[n-]c4c3)C2)n1 ZINC000874500286 1137616408 /nfs/dbraw/zinc/61/64/08/1137616408.db2.gz PGNIKTAWKQFSML-LLVKDONJSA-N -1 0 345.449 3.511 20 0 EHADRM O=Cc1ccc(-c2ccc(-c3ccccc3[C@H](O)CC(=O)[O-])cc2)o1 ZINC000874970742 1137627197 /nfs/dbraw/zinc/62/71/97/1137627197.db2.gz YUFDDUVEOZGQBH-GOSISDBHSA-N -1 0 336.343 3.934 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)[O-])cc2OC(F)(F)F)cc1F ZINC000874973414 1137627380 /nfs/dbraw/zinc/62/73/80/1137627380.db2.gz JSWVRDRNQQJPGU-UHFFFAOYSA-N -1 0 328.217 3.902 20 0 EHADRM CCC[C@H]1[C@@H](C)CCCN1C(=O)c1ncc(Br)cc1[O-] ZINC001137109852 1137659523 /nfs/dbraw/zinc/65/95/23/1137659523.db2.gz HVSONIPVPVFRSR-JQWIXIFHSA-N -1 0 341.249 3.591 20 0 EHADRM Cc1ccc(N(C(=O)c2n[n-]c3ccccc3c2=O)C2CCC2)cc1 ZINC000923652447 1137660218 /nfs/dbraw/zinc/66/02/18/1137660218.db2.gz LRPIDCKNTJNRNR-UHFFFAOYSA-N -1 0 333.391 3.843 20 0 EHADRM COc1ccc2c(c1)CC[C@H](C(=O)Nc1cc(Cl)c([O-])cc1F)C2 ZINC000879983325 1137763845 /nfs/dbraw/zinc/76/38/45/1137763845.db2.gz ZAJOKVCACHEWGF-LBPRGKRZSA-N -1 0 349.789 3.937 20 0 EHADRM Cn1c(C(=O)Nc2cccc(O)c2F)ccc1-c1ccc(F)cc1 ZINC000128612745 1137789542 /nfs/dbraw/zinc/78/95/42/1137789542.db2.gz IFCVARXFEHQOJH-UHFFFAOYSA-N -1 0 328.318 3.928 20 0 EHADRM Cc1cc(C)c(N2CC[C@@H]([N-]c3nnc(C(C)(C)C)o3)C2=O)c(C)c1 ZINC000882245138 1137824216 /nfs/dbraw/zinc/82/42/16/1137824216.db2.gz FRHYRQUFTUYOED-CQSZACIVSA-N -1 0 342.443 3.510 20 0 EHADRM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2ncsc2C2CC2)c1 ZINC000882771258 1137833855 /nfs/dbraw/zinc/83/38/55/1137833855.db2.gz VCLGLDKZTJISNG-UHFFFAOYSA-N -1 0 345.449 3.678 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ncsc2C2CC2)c(Cl)c1 ZINC000882771318 1137833872 /nfs/dbraw/zinc/83/38/72/1137833872.db2.gz XMQCPDULAAGDJC-UHFFFAOYSA-N -1 0 328.846 3.783 20 0 EHADRM O=S(=O)([N-]c1ncsc1C1CC1)c1cc(Cl)ccc1F ZINC000882772762 1137833901 /nfs/dbraw/zinc/83/39/01/1137833901.db2.gz KWOQUTZFYAQNRM-UHFFFAOYSA-N -1 0 332.809 3.614 20 0 EHADRM CC(C)c1ccsc1C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1 ZINC000131670022 1137857900 /nfs/dbraw/zinc/85/79/00/1137857900.db2.gz VQUQLLKZRFBBIN-GFCCVEGCSA-N -1 0 337.466 3.692 20 0 EHADRM CC[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1nc(C)cs1 ZINC000104759563 1137879234 /nfs/dbraw/zinc/87/92/34/1137879234.db2.gz ABSBBVUUEBHIEJ-QMMMGPOBSA-N -1 0 336.891 3.596 20 0 EHADRM CCC(CC)c1nnc([N-]C(=O)c2nnc(C(C)C)s2)s1 ZINC000283083742 1137884724 /nfs/dbraw/zinc/88/47/24/1137884724.db2.gz QPJHSDPYEYUUJS-UHFFFAOYSA-N -1 0 325.463 3.669 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N(Cc2ccccc2)C2CC2)cc1C ZINC000107961114 1137888319 /nfs/dbraw/zinc/88/83/19/1137888319.db2.gz UZGPQYGDSQWEQR-DEOSSOPVSA-N -1 0 341.476 3.602 20 0 EHADRM Cc1ccccc1[C@H]1CCCN1C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000331552021 1137912404 /nfs/dbraw/zinc/91/24/04/1137912404.db2.gz OJHAREKFYKUCIG-CQSZACIVSA-N -1 0 344.484 3.935 20 0 EHADRM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C ZINC000332126163 1137932473 /nfs/dbraw/zinc/93/24/73/1137932473.db2.gz CZOCLVDLPMPONV-JTQLQIEISA-N -1 0 339.848 3.543 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2[C@H](C)CC[C@@H]2CC)n1 ZINC000332159660 1137933993 /nfs/dbraw/zinc/93/39/93/1137933993.db2.gz VAJCKEQROPDMEG-HIFRSBDPSA-N -1 0 327.428 3.543 20 0 EHADRM COc1cc(C)c([C@H](C)NC(=O)c2ccc([O-])c(Cl)c2)cc1OC ZINC000047109933 1138042151 /nfs/dbraw/zinc/04/21/51/1138042151.db2.gz IZEJAEIYPCRHRS-NSHDSACASA-N -1 0 349.814 3.862 20 0 EHADRM O=C(CC1CCC1)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000079824995 1138159039 /nfs/dbraw/zinc/15/90/39/1138159039.db2.gz IBJPGOCDOJXNDP-UHFFFAOYSA-N -1 0 344.436 3.616 20 0 EHADRM COC[C@H]1CCCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C1 ZINC000081959404 1138171536 /nfs/dbraw/zinc/17/15/36/1138171536.db2.gz QEEBKZIREPDOKE-LBPRGKRZSA-N -1 0 333.815 3.697 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc2c(c1)C=CC1(CCC1)O2 ZINC000887323995 1138265800 /nfs/dbraw/zinc/26/58/00/1138265800.db2.gz NWAGYHKKYMSHAW-CVEARBPZSA-N -1 0 339.391 3.620 20 0 EHADRM CC(C)(CC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1F)CC(F)F ZINC000887326785 1138266959 /nfs/dbraw/zinc/26/69/59/1138266959.db2.gz MWWVAPBDPKWUHW-GFCCVEGCSA-N -1 0 349.324 3.668 20 0 EHADRM CCCOc1ccc(NC(=O)NCCCCC(=O)[O-])cc1C(C)C ZINC000887394505 1138302679 /nfs/dbraw/zinc/30/26/79/1138302679.db2.gz TXIOWRINQYYZQW-UHFFFAOYSA-N -1 0 336.432 3.975 20 0 EHADRM CN(Cc1ccc(Cl)s1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000348452160 1138582929 /nfs/dbraw/zinc/58/29/29/1138582929.db2.gz BMBJRUYSIASXQL-UHFFFAOYSA-N -1 0 335.734 3.797 20 0 EHADRM Cc1n[n-]c(=NC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)s1 ZINC000337500754 1138587926 /nfs/dbraw/zinc/58/79/26/1138587926.db2.gz VTAJJIQRRYPWHY-ZDUSSCGKSA-N -1 0 336.436 3.707 20 0 EHADRM CC(C)c1csc([N-]S(=O)(=O)c2cnc3ccccc3c2)n1 ZINC000337773381 1138664774 /nfs/dbraw/zinc/66/47/74/1138664774.db2.gz PCRUHJVFUKNXAD-UHFFFAOYSA-N -1 0 333.438 3.616 20 0 EHADRM Cc1ccc2cccc([N-]S(=O)(=O)c3cnc4ccccc4c3)c2n1 ZINC000337779234 1138665751 /nfs/dbraw/zinc/66/57/51/1138665751.db2.gz ZZIMGJNDCCUTTK-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM CSc1cccc(S(=O)(=O)[N-]c2nc(C(C)C)cs2)c1 ZINC000337787039 1138668093 /nfs/dbraw/zinc/66/80/93/1138668093.db2.gz XVRUOFKUHLJBRQ-UHFFFAOYSA-N -1 0 328.484 3.789 20 0 EHADRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1C ZINC000337868200 1138685679 /nfs/dbraw/zinc/68/56/79/1138685679.db2.gz PGTGHBANCCIPON-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM CO[C@@H](C)c1nc(=NCc2cc(C)cc3c(C)c(C)[nH]c32)s[n-]1 ZINC000337906059 1138695831 /nfs/dbraw/zinc/69/58/31/1138695831.db2.gz BYGKBYRAKQNFMA-LBPRGKRZSA-N -1 0 330.457 3.686 20 0 EHADRM CO[C@H](C)c1nc(=N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)s[n-]1 ZINC000337907204 1138695867 /nfs/dbraw/zinc/69/58/67/1138695867.db2.gz DKZUMKQYGNYPFJ-UISBYWKRSA-N -1 0 343.374 3.654 20 0 EHADRM CO[C@@H](C)c1nc(=NC(=O)c2sccc2-c2ccccc2)s[n-]1 ZINC000338018076 1138725027 /nfs/dbraw/zinc/72/50/27/1138725027.db2.gz PMNDKSZGTOMNDF-JTQLQIEISA-N -1 0 345.449 3.648 20 0 EHADRM C[C@@H]1CC(CCNC(=O)CC2(C(=O)[O-])CCCCCC2)C[C@@H](C)O1 ZINC000338408108 1138897547 /nfs/dbraw/zinc/89/75/47/1138897547.db2.gz KVVWNLDYMSGKIU-HUUCEWRRSA-N -1 0 339.476 3.512 20 0 EHADRM CCC(CC)(CC(=O)NCc1cccc(COC(C)(C)C)c1)C(=O)[O-] ZINC000338420287 1138906734 /nfs/dbraw/zinc/90/67/34/1138906734.db2.gz DCSCMNICMWTSLD-UHFFFAOYSA-N -1 0 349.471 3.899 20 0 EHADRM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CC[C@H](C(F)(F)F)C1 ZINC000888030647 1139050685 /nfs/dbraw/zinc/05/06/85/1139050685.db2.gz KDBWEYVZOFVFRJ-LURJTMIESA-N -1 0 328.117 3.723 20 0 EHADRM Cc1nc(C)c(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)s1 ZINC000176518318 1139561711 /nfs/dbraw/zinc/56/17/11/1139561711.db2.gz NQIINLCIMOIFMG-UHFFFAOYSA-N -1 0 349.437 3.579 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N2CC[C@H](CSc3ccccc3)C2)C1 ZINC000180026140 1139801965 /nfs/dbraw/zinc/80/19/65/1139801965.db2.gz LOIJUUXDGQITOU-JYJNAYRXSA-N -1 0 347.480 3.518 20 0 EHADRM C[C@@H](CNC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)CC(=O)[O-] ZINC000777396805 1140048442 /nfs/dbraw/zinc/04/84/42/1140048442.db2.gz RFMYLWZSEIVXMG-JXCQQFQQSA-N -1 0 347.411 3.655 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000186404197 1140201986 /nfs/dbraw/zinc/20/19/86/1140201986.db2.gz JWPODYMLRSQMER-PWSUYJOCSA-N -1 0 335.325 3.828 20 0 EHADRM Cc1occc1S([O-])=CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000189628192 1140357002 /nfs/dbraw/zinc/35/70/02/1140357002.db2.gz MIPCTFMXOSWWMC-XFNZEKPQSA-N -1 0 339.844 3.569 20 0 EHADRM CCC(CC)n1nc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1C ZINC000190918629 1140425209 /nfs/dbraw/zinc/42/52/09/1140425209.db2.gz DGCJLZWQPCHQBQ-UHFFFAOYSA-N -1 0 343.427 3.523 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)c1occc1Br)C(=O)[O-] ZINC000191145871 1140439773 /nfs/dbraw/zinc/43/97/73/1140439773.db2.gz WQKYTYOFLYVBTF-CQSZACIVSA-N -1 0 346.221 3.586 20 0 EHADRM CCO[C@@H](C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC000191389742 1140460569 /nfs/dbraw/zinc/46/05/69/1140460569.db2.gz CBCJQOGPXVDGLJ-KBXCAEBGSA-N -1 0 341.407 3.666 20 0 EHADRM CN(Cc1cccc2ccccc21)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000194393956 1140607925 /nfs/dbraw/zinc/60/79/25/1140607925.db2.gz TXRBSDXJOJBEEZ-UHFFFAOYSA-N -1 0 325.408 3.689 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2C(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000194414545 1140608719 /nfs/dbraw/zinc/60/87/19/1140608719.db2.gz OBCZULOJQNIZBL-ABHNRTSZSA-N -1 0 329.440 3.940 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(C(=O)/C=C/c1cccc3ccccc13)CC2 ZINC000268939598 1141030670 /nfs/dbraw/zinc/03/06/70/1141030670.db2.gz KEQFTBYULDPFJY-BLGFXRMMSA-N -1 0 335.403 3.566 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)NO[C@H]3CCCCO3)cn2)cc1 ZINC000274256586 1141490562 /nfs/dbraw/zinc/49/05/62/1141490562.db2.gz XISIDBUUUUKAED-KRWDZBQOSA-N -1 0 343.383 3.762 20 0 EHADRM O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1cc(F)c([O-])c(Cl)c1 ZINC000274397307 1141515157 /nfs/dbraw/zinc/51/51/57/1141515157.db2.gz CQRMPKQKOYRFHI-GFCCVEGCSA-N -1 0 341.810 3.796 20 0 EHADRM O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)c1s[n-]c(=O)c1Cl ZINC000283042846 1141544006 /nfs/dbraw/zinc/54/40/06/1141544006.db2.gz LNKBTANHNZODML-VXGBXAGGSA-N -1 0 336.844 3.643 20 0 EHADRM CCN(c1ccc(NC(=O)c2s[n-]c(=O)c2Cl)cc1)C(C)C ZINC000283131846 1141558278 /nfs/dbraw/zinc/55/82/78/1141558278.db2.gz ZPYQPOSUBWEYKV-UHFFFAOYSA-N -1 0 339.848 3.989 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@@H]2CC[C@H](C)[C@H](C)C2)n1 ZINC001296171856 1141589829 /nfs/dbraw/zinc/58/98/29/1141589829.db2.gz URMKELAYHNTMAV-YWPYICTPSA-N -1 0 345.418 3.580 20 0 EHADRM CCc1nnc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)s1 ZINC000066065947 215005813 /nfs/dbraw/zinc/00/58/13/215005813.db2.gz HSBQOVOWBGDBOY-UHFFFAOYSA-N -1 0 345.449 3.568 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)c1cccc(Br)c1 ZINC000019502897 212035388 /nfs/dbraw/zinc/03/53/88/212035388.db2.gz LYEJOESYVYVMFH-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM O=S(=O)(Nc1cccc(Cl)c1F)c1cccc(Cl)c1[O-] ZINC000549722993 450602118 /nfs/dbraw/zinc/60/21/18/450602118.db2.gz HHAIDCLQMLJCJL-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000299744536 564150585 /nfs/dbraw/zinc/15/05/85/564150585.db2.gz PBUPNRRAFHBCFO-SNVBAGLBSA-N -1 0 347.308 3.562 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)c2ccc(F)cc2C(F)(F)F)CC1 ZINC000299746770 564150665 /nfs/dbraw/zinc/15/06/65/564150665.db2.gz ZRFBDXXAYKEROK-JTQLQIEISA-N -1 0 347.308 3.562 20 0 EHADRM O=C([O-])c1ccc(OC(=O)Cc2cccc(Cl)c2)c(Cl)c1 ZINC000739346632 599732662 /nfs/dbraw/zinc/73/26/62/599732662.db2.gz TYNWYNNYADXIQT-UHFFFAOYSA-N -1 0 325.147 3.840 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2CC(=O)[O-])cc1F ZINC000325537618 596967418 /nfs/dbraw/zinc/96/74/18/596967418.db2.gz UULFEHKJSMRVJR-GFCCVEGCSA-N -1 0 330.359 3.644 20 0 EHADRM C[C@@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)C(=O)[O-] ZINC000739053941 597049729 /nfs/dbraw/zinc/04/97/29/597049729.db2.gz WSEVCHYIVFYJBZ-SNVBAGLBSA-N -1 0 331.422 3.561 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000054303604 597115483 /nfs/dbraw/zinc/11/54/83/597115483.db2.gz SEQKSUGNTMWVJA-VIFPVBQESA-N -1 0 331.199 3.712 20 0 EHADRM Cc1nn(Cc2ccccc2)c(C)c1CNc1cccc(CC(=O)[O-])c1 ZINC000819036104 597138413 /nfs/dbraw/zinc/13/84/13/597138413.db2.gz UKWCTJJSKTTXHT-UHFFFAOYSA-N -1 0 349.434 3.787 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000237331962 597262291 /nfs/dbraw/zinc/26/22/91/597262291.db2.gz JKTTXJVVGYLENI-AWEZNQCLSA-N -1 0 335.812 3.618 20 0 EHADRM C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)NCCCC(=O)[O-] ZINC000263463608 597307616 /nfs/dbraw/zinc/30/76/16/597307616.db2.gz JNFCODSVWNQLJR-MRXNPFEDSA-N -1 0 340.423 3.824 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1c2c(nc3ccccc31)CCC2 ZINC000819623551 597317549 /nfs/dbraw/zinc/31/75/49/597317549.db2.gz SPLXHSRUPWZFQX-UHFFFAOYSA-N -1 0 346.386 3.603 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N(Cc1cccs1)C1CC1 ZINC000390408408 597324434 /nfs/dbraw/zinc/32/44/34/597324434.db2.gz MIFZBSLMFGFSBW-UHFFFAOYSA-N -1 0 330.409 3.572 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N[C@H](c1ccccc1)C1CCC1 ZINC000819610788 597327188 /nfs/dbraw/zinc/32/71/88/597327188.db2.gz UOJUCMBGQKKETN-LJQANCHMSA-N -1 0 338.407 3.977 20 0 EHADRM CC(C)(C)O[C@@H](C(=O)Nc1ccccc1CC(=O)[O-])c1ccccc1 ZINC000819927384 597387987 /nfs/dbraw/zinc/38/79/87/597387987.db2.gz HMJZGAMAJHSCTE-GOSISDBHSA-N -1 0 341.407 3.809 20 0 EHADRM CC(=O)Nc1cccc(NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1C ZINC000819796963 597468798 /nfs/dbraw/zinc/46/87/98/597468798.db2.gz RVNUQZKDRROIDT-UHFFFAOYSA-N -1 0 341.367 3.604 20 0 EHADRM O=C([O-])c1cccc(CNc2cccc(CN3CCCCC3=O)c2)c1 ZINC000263510563 598204685 /nfs/dbraw/zinc/20/46/85/598204685.db2.gz YPHLPASFFMTXEE-UHFFFAOYSA-N -1 0 338.407 3.509 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N(C)CCc1cccc2ccccc21 ZINC000736414342 599701775 /nfs/dbraw/zinc/70/17/75/599701775.db2.gz HKSADGATLRDHQD-SFHVURJKSA-N -1 0 342.439 3.523 20 0 EHADRM C[C@H](NC(=O)NCCCCCC(=O)[O-])c1cc2ccccc2s1 ZINC000414647788 599701932 /nfs/dbraw/zinc/70/19/32/599701932.db2.gz SYKZANUXLVKCAH-LBPRGKRZSA-N -1 0 334.441 3.907 20 0 EHADRM CCCC[C@H](C(=O)[O-])N(C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000736975271 599705770 /nfs/dbraw/zinc/70/57/70/599705770.db2.gz TVMKUHPJUHWTAU-GFCCVEGCSA-N -1 0 347.242 3.507 20 0 EHADRM COc1ccc(CC[C@@H](C)NC(=O)c2ccccc2NC(=O)[O-])cc1 ZINC000737992938 599710149 /nfs/dbraw/zinc/71/01/49/599710149.db2.gz PUDSXDNTZXOBLN-CYBMUJFWSA-N -1 0 342.395 3.536 20 0 EHADRM COc1ccc([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000737947177 599710709 /nfs/dbraw/zinc/71/07/09/599710709.db2.gz JSEYXHIKOXDFMT-SNVBAGLBSA-N -1 0 333.771 3.789 20 0 EHADRM CC(C)(CCc1ccccc1)NC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000328008125 599711837 /nfs/dbraw/zinc/71/18/37/599711837.db2.gz VZKUYZHSQFYVEE-UHFFFAOYSA-N -1 0 340.423 3.847 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N[C@@H]2CCc3cc(F)ccc32)ccc1F ZINC000740004738 599713704 /nfs/dbraw/zinc/71/37/04/599713704.db2.gz DWLYOAHJTIYALA-CQSZACIVSA-N -1 0 347.321 3.864 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2ccc(SC(F)F)cc2)c1O ZINC000739483385 599718159 /nfs/dbraw/zinc/71/81/59/599718159.db2.gz FPYFZSGDQOYSJN-UHFFFAOYSA-N -1 0 339.319 3.657 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000679399431 599725047 /nfs/dbraw/zinc/72/50/47/599725047.db2.gz AZHZRXBYUZTWGC-SNRMKQJTSA-N -1 0 337.419 3.799 20 0 EHADRM C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)CCCN(C)C(=O)[O-] ZINC000736717140 599731177 /nfs/dbraw/zinc/73/11/77/599731177.db2.gz LDQWGKRWMKQIJK-NSHDSACASA-N -1 0 346.349 3.615 20 0 EHADRM COc1ccc(Br)c(-c2nc(C)c(C(=O)[O-])s2)c1 ZINC000234977464 599734298 /nfs/dbraw/zinc/73/42/98/599734298.db2.gz YAVGYOPKPFYSHY-UHFFFAOYSA-N -1 0 328.187 3.588 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)Cc2ccccc2C(F)(F)F)cc1 ZINC000738669686 599735190 /nfs/dbraw/zinc/73/51/90/599735190.db2.gz NMHGBDJFKIARLP-UHFFFAOYSA-N -1 0 339.269 3.943 20 0 EHADRM O=C([O-])CCCCCNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000238147720 599741348 /nfs/dbraw/zinc/74/13/48/599741348.db2.gz OHSYMDFRSFHCKE-QZTJIDSGSA-N -1 0 325.408 3.705 20 0 EHADRM C[C@H](NC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)[O-] ZINC000738223324 599759703 /nfs/dbraw/zinc/75/97/03/599759703.db2.gz ZZKSBPGGJDKPMC-LBPRGKRZSA-N -1 0 349.471 3.509 20 0 EHADRM Cc1ccccc1[C@H]1CCN(C(=O)NCCCCCCC(=O)[O-])C1 ZINC000738324760 599762414 /nfs/dbraw/zinc/76/24/14/599762414.db2.gz IUDFAYIKVMQLAE-INIZCTEOSA-N -1 0 332.444 3.529 20 0 EHADRM Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000021003181 599765987 /nfs/dbraw/zinc/76/59/87/599765987.db2.gz SOQSWVCUXJCGQW-UHFFFAOYSA-N -1 0 347.798 3.683 20 0 EHADRM CC(C)c1ccc(OCC(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000236674844 599767095 /nfs/dbraw/zinc/76/70/95/599767095.db2.gz FUSWCFHHGQHGTJ-UHFFFAOYSA-N -1 0 341.407 3.845 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)CCOc2ccccc2Cl)cc1 ZINC000238027516 599769714 /nfs/dbraw/zinc/76/97/14/599769714.db2.gz ZDJBCQKQMPOBEG-UHFFFAOYSA-N -1 0 347.798 3.765 20 0 EHADRM Cc1ccc2nc(-c3ccccc3)cc(C(=O)NC[C@@H](C)C(=O)[O-])c2c1 ZINC000738674821 599781280 /nfs/dbraw/zinc/78/12/80/599781280.db2.gz BITZSWNHJVKYPH-CQSZACIVSA-N -1 0 348.402 3.661 20 0 EHADRM C[C@@H](CNC(=O)c1ccc(Oc2cccc(Cl)c2)cc1)C(=O)[O-] ZINC000736605729 599782120 /nfs/dbraw/zinc/78/21/20/599782120.db2.gz MJAUDZAECBSJEO-NSHDSACASA-N -1 0 333.771 3.583 20 0 EHADRM CC(=O)c1[nH]c(CC(=O)Nc2ccccc2C(C)C)c(C(=O)[O-])c1C ZINC000736179820 599784090 /nfs/dbraw/zinc/78/40/90/599784090.db2.gz MYIQHXDOCUZJJW-UHFFFAOYSA-N -1 0 342.395 3.529 20 0 EHADRM Cc1oc(-c2ccsc2)nc1COC(=O)c1ccccc1C(=O)[O-] ZINC000738956681 599788327 /nfs/dbraw/zinc/78/83/27/599788327.db2.gz DJRGPRUHRZDBOS-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM CCCC[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000736984718 599789269 /nfs/dbraw/zinc/78/92/69/599789269.db2.gz JTLVLMXFXJIZJG-CZUORRHYSA-N -1 0 334.416 3.630 20 0 EHADRM CC(C)(CNC(=O)c1ccc(C(=O)[O-])cc1)c1ccccc1Cl ZINC000736321524 599800275 /nfs/dbraw/zinc/80/02/75/599800275.db2.gz FXUSHXOSRQNVRB-UHFFFAOYSA-N -1 0 331.799 3.746 20 0 EHADRM Cc1cc(C=Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc(C)c1O ZINC000738379995 599801897 /nfs/dbraw/zinc/80/18/97/599801897.db2.gz WJQDKZIKFYCSPE-ZZXKWVIFSA-N -1 0 336.347 3.526 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1ccc(C(F)F)cc1 ZINC000738476053 599810954 /nfs/dbraw/zinc/81/09/54/599810954.db2.gz IODLIMUZIVYCHB-UHFFFAOYSA-N -1 0 335.306 3.648 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C[C@@H]1CCCc2ccccc21)c1cccs1 ZINC000237936144 599811695 /nfs/dbraw/zinc/81/16/95/599811695.db2.gz SWUGYKDSNHDXJV-HOCLYGCPSA-N -1 0 343.448 3.890 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)NCc2ccc3ccccc3c2)cc1 ZINC000739879702 599820776 /nfs/dbraw/zinc/82/07/76/599820776.db2.gz RHXOXWYHSRQXJZ-UHFFFAOYSA-N -1 0 334.375 3.789 20 0 EHADRM Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000738669850 599823842 /nfs/dbraw/zinc/82/38/42/599823842.db2.gz JWVVFOQYKPLESI-SFHVURJKSA-N -1 0 338.407 3.821 20 0 EHADRM Cc1cc(/C=C\C(=O)N(C)C(C)(C)C(=O)[O-])c(C)n1C1CCCCC1 ZINC000738379844 599827980 /nfs/dbraw/zinc/82/79/80/599827980.db2.gz TVBABPBUORAIJV-QXMHVHEDSA-N -1 0 346.471 3.945 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)C[C@@H]1CCCc2ccccc21 ZINC000739220819 599829165 /nfs/dbraw/zinc/82/91/65/599829165.db2.gz CPVCHIOUIDTLCF-ZDUSSCGKSA-N -1 0 327.355 3.973 20 0 EHADRM O=C([O-])/C(=C\c1ccc(OCc2ccncc2)cc1)c1ccncc1 ZINC000739488863 599831428 /nfs/dbraw/zinc/83/14/28/599831428.db2.gz BHROFKNNVMUBRL-UYRXBGFRSA-N -1 0 332.359 3.681 20 0 EHADRM O=C([O-])CC1CCN(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)CC1 ZINC000738563831 599832686 /nfs/dbraw/zinc/83/26/86/599832686.db2.gz RSQCMADYGPILGY-GOSISDBHSA-N -1 0 348.418 3.563 20 0 EHADRM CC(C)c1nc(C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)cs1 ZINC000736524813 599834471 /nfs/dbraw/zinc/83/44/71/599834471.db2.gz GNRDHIJBJTYKLA-UHFFFAOYSA-N -1 0 336.438 3.767 20 0 EHADRM CC1(C)Oc2ccc(NC(=O)c3ccccc3NC(=O)[O-])cc2O1 ZINC000736737154 599835054 /nfs/dbraw/zinc/83/50/54/599835054.db2.gz FCGYUENCVWTCKW-UHFFFAOYSA-N -1 0 328.324 3.536 20 0 EHADRM CN(Cc1ccccc1Cl)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000321380529 599835890 /nfs/dbraw/zinc/83/58/90/599835890.db2.gz NGYILKDFJSGHCI-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM CN(C(=O)Cn1ccc2ccc(Cl)cc21)c1ccccc1C(=O)[O-] ZINC000737327421 599836550 /nfs/dbraw/zinc/83/65/50/599836550.db2.gz JPFZIDHAHUXUMX-UHFFFAOYSA-N -1 0 342.782 3.656 20 0 EHADRM CN(CCCC(=O)OCc1sc2ccccc2c1Cl)C(=O)[O-] ZINC000737438286 599840364 /nfs/dbraw/zinc/84/03/64/599840364.db2.gz JJERKKWDRXLPHH-UHFFFAOYSA-N -1 0 341.816 3.988 20 0 EHADRM CC(C)c1cc(C(=O)Nc2cccc(F)c2C(=O)[O-])nn1C(C)(C)C ZINC000736516215 599843694 /nfs/dbraw/zinc/84/36/94/599843694.db2.gz ZTULVJCWIYJJNK-UHFFFAOYSA-N -1 0 347.390 3.851 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)c1cnc(-c2ccccc2)s1 ZINC000739486053 599844503 /nfs/dbraw/zinc/84/45/03/599844503.db2.gz UEQMLEUCMBFZCF-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)C=C(C2CC2)C2CC2)cc1 ZINC000271923321 599844904 /nfs/dbraw/zinc/84/49/04/599844904.db2.gz WMNPZDTWDIXVAD-QGZVFWFLSA-N -1 0 345.464 3.787 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)c1ccc(Br)cc1 ZINC000035306291 599848391 /nfs/dbraw/zinc/84/83/91/599848391.db2.gz SAQAEFOUGRORLX-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM CCc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(SC)cc2)s1 ZINC000737255537 599852244 /nfs/dbraw/zinc/85/22/44/599852244.db2.gz FUXLRZGBPASPIW-AWEZNQCLSA-N -1 0 349.477 3.978 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OCc1ccn(-c2cccc(F)c2)n1 ZINC000740076223 599856459 /nfs/dbraw/zinc/85/64/59/599856459.db2.gz SEEGURSDQXUULW-UHFFFAOYSA-N -1 0 346.745 3.942 20 0 EHADRM Cc1ccc(NC(=O)CNc2cccc(F)c2C(=O)[O-])cc1Cl ZINC000738626981 599856727 /nfs/dbraw/zinc/85/67/27/599856727.db2.gz XUATVFHXFIZYDZ-UHFFFAOYSA-N -1 0 336.750 3.536 20 0 EHADRM COc1ccc(OCc2nc(-c3cc(C(=O)[O-])co3)cs2)cc1 ZINC000738049634 599859198 /nfs/dbraw/zinc/85/91/98/599859198.db2.gz RXPYQIFGOKZACS-UHFFFAOYSA-N -1 0 331.349 3.689 20 0 EHADRM C/C(=C/C(=O)N[C@H](Cc1ccccc1)C(=O)[O-])c1ccccc1Cl ZINC000236665051 599861743 /nfs/dbraw/zinc/86/17/43/599861743.db2.gz BMUBKAOEUDIMEM-QAAVPBIRSA-N -1 0 343.810 3.555 20 0 EHADRM Cc1cc(C)c(C(=O)COC(=O)c2ccccc2NC(=O)[O-])c(C)c1 ZINC000738350778 599870506 /nfs/dbraw/zinc/87/05/06/599870506.db2.gz ASFGUVBKKQDSGO-UHFFFAOYSA-N -1 0 341.363 3.741 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)Cc1ccccc1F ZINC000676018306 599873222 /nfs/dbraw/zinc/87/32/22/599873222.db2.gz GQJCLHNJJMZTMZ-UHFFFAOYSA-N -1 0 343.379 3.598 20 0 EHADRM O=C([O-])c1coc(COC(=O)CSc2ccc3ccccc3c2)c1 ZINC000739336742 599878770 /nfs/dbraw/zinc/87/87/70/599878770.db2.gz DJGJEFCKNYUEIF-UHFFFAOYSA-N -1 0 342.372 3.967 20 0 EHADRM O=C([O-])c1coc(COC(=O)c2cc3ccccc3c(Cl)n2)c1 ZINC000740269104 599882374 /nfs/dbraw/zinc/88/23/74/599882374.db2.gz ASYRGAUIKNCNBE-UHFFFAOYSA-N -1 0 331.711 3.536 20 0 EHADRM C[C@H](OC(=O)c1ccc(C(=O)[O-])nc1)c1ccc(C(F)(F)F)cc1 ZINC000736690715 599882492 /nfs/dbraw/zinc/88/24/92/599882492.db2.gz OXJMQWXHMCXJCC-VIFPVBQESA-N -1 0 339.269 3.717 20 0 EHADRM CCN(c1ccc(C(=O)OCc2cc(C(=O)[O-])co2)cc1)C(C)C ZINC000737109363 599884361 /nfs/dbraw/zinc/88/43/61/599884361.db2.gz YLBVAFQFJSJWPI-UHFFFAOYSA-N -1 0 331.368 3.570 20 0 EHADRM O=C([O-])c1coc(COC(=O)c2cc(-c3cccc(Cl)c3)no2)c1 ZINC000740267321 599884694 /nfs/dbraw/zinc/88/46/94/599884694.db2.gz HSPPHBNZVIYKFJ-UHFFFAOYSA-N -1 0 347.710 3.643 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000736504437 599887243 /nfs/dbraw/zinc/88/72/43/599887243.db2.gz UCVDBGRXBYXMQG-JTQLQIEISA-N -1 0 338.713 3.590 20 0 EHADRM O=C([O-])c1cccc(C(=O)O[C@H](c2ccccc2)c2cccnc2)c1 ZINC000740215860 599890522 /nfs/dbraw/zinc/89/05/22/599890522.db2.gz LJQXSSJTFOZNOC-GOSISDBHSA-N -1 0 333.343 3.726 20 0 EHADRM COc1ccc(OC)c(NC(=S)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000738048500 599891853 /nfs/dbraw/zinc/89/18/53/599891853.db2.gz RSOCGEBQNDULLS-UHFFFAOYSA-N -1 0 346.408 3.519 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2ccnn2C2CCCCC2)c1 ZINC000740035128 599896244 /nfs/dbraw/zinc/89/62/44/599896244.db2.gz AMGVTRWLEKWXJO-UHFFFAOYSA-N -1 0 328.372 3.731 20 0 EHADRM O=C([O-])CCCCCCNC(=O)N1CCCC[C@H]1Cc1ccccc1 ZINC000739666785 599896510 /nfs/dbraw/zinc/89/65/10/599896510.db2.gz UYGWEUJWWKOJBG-SFHVURJKSA-N -1 0 346.471 3.828 20 0 EHADRM O=C([O-])c1cnc(/C=C/c2ccc(Br)cc2F)s1 ZINC000110307330 599907468 /nfs/dbraw/zinc/90/74/68/599907468.db2.gz GLVZBFOWTJHCJY-DUXPYHPUSA-N -1 0 328.162 3.913 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000679396285 599907984 /nfs/dbraw/zinc/90/79/84/599907984.db2.gz FAHWQZKTKROTSW-KGLIPLIRSA-N -1 0 343.345 3.578 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N[C@H]2CCCOc3ccc(F)cc32)c1 ZINC000740030178 599908932 /nfs/dbraw/zinc/90/89/32/599908932.db2.gz XHVAZBUKVCQOKN-HNNXBMFYSA-N -1 0 344.342 3.559 20 0 EHADRM CCc1[nH]c(C(=O)NCC(C)(C)c2ccc(C)cc2)c(C)c1C(=O)[O-] ZINC000737243892 599913685 /nfs/dbraw/zinc/91/36/85/599913685.db2.gz ZLZXSSQABMJETO-UHFFFAOYSA-N -1 0 342.439 3.600 20 0 EHADRM Cc1cccc(C2(C(=O)Nc3nc(CC(=O)[O-])cs3)CCCC2)c1 ZINC000237928408 599914054 /nfs/dbraw/zinc/91/40/54/599914054.db2.gz SBSSSWSUFQXGFB-UHFFFAOYSA-N -1 0 344.436 3.529 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1)c1ccccc1F ZINC000262660272 599914422 /nfs/dbraw/zinc/91/44/22/599914422.db2.gz UFZUKGKFJUJDHK-SJCJKPOMSA-N -1 0 347.361 3.791 20 0 EHADRM Cc1cc(NC(=O)Cc2cccc(Br)c2)ccc1C(=O)[O-] ZINC000050040160 599914886 /nfs/dbraw/zinc/91/48/86/599914886.db2.gz VDEKZZUUXGUKKU-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM Cc1cc(NC(=O)c2cn(C)nc2C2CCCCC2)ccc1C(=O)[O-] ZINC000261725778 599915295 /nfs/dbraw/zinc/91/52/95/599915295.db2.gz GQTLGRTYNCMIIZ-UHFFFAOYSA-N -1 0 341.411 3.727 20 0 EHADRM O=C([O-])c1ccc(CCNc2nc(C(F)F)nc3ccccc32)cc1 ZINC000740124614 599922658 /nfs/dbraw/zinc/92/26/58/599922658.db2.gz XEETYVDCUVCRAR-UHFFFAOYSA-N -1 0 343.333 3.920 20 0 EHADRM COc1ccc([C@@H]2CCCN2C(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000737985925 599928531 /nfs/dbraw/zinc/92/85/31/599928531.db2.gz IMJNAZXACQVVHK-KRWDZBQOSA-N -1 0 340.379 3.762 20 0 EHADRM COc1cccc([C@H]2CCCN2C(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000738096114 599929267 /nfs/dbraw/zinc/92/92/67/599929267.db2.gz NBWPUFNSWDHJDE-QGZVFWFLSA-N -1 0 340.379 3.762 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)cc1Cl ZINC000320806912 599930840 /nfs/dbraw/zinc/93/08/40/599930840.db2.gz ZFRZYVZQYKJXTL-INIZCTEOSA-N -1 0 331.799 3.984 20 0 EHADRM COc1cccc([C@@H](C)C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000181653342 599931265 /nfs/dbraw/zinc/93/12/65/599931265.db2.gz VYWIKLPJBRGPIS-KDOFPFPSSA-N -1 0 341.407 3.521 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)Cc1cc2ccccc2o1)c1ccccc1 ZINC000739660325 599931495 /nfs/dbraw/zinc/93/14/95/599931495.db2.gz ZKDMACMZJKDOTK-KRWDZBQOSA-N -1 0 337.375 3.698 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000263131144 599934106 /nfs/dbraw/zinc/93/41/06/599934106.db2.gz GVOVZHSBJHCMKA-KSZLIROESA-N -1 0 341.382 3.652 20 0 EHADRM CCc1ccc(CCC(=O)N[C@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000327365983 599936061 /nfs/dbraw/zinc/93/60/61/599936061.db2.gz JSYPGYUKMFJGTP-LJQANCHMSA-N -1 0 339.435 3.904 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)/C=C\c1ccccc1F)c1ccccc1 ZINC000324252951 599936172 /nfs/dbraw/zinc/93/61/72/599936172.db2.gz UEBQEIHVZADAQQ-LUJNMSEFSA-N -1 0 327.355 3.561 20 0 EHADRM Cc1cc(C(N)=O)ccc1NCc1c2ccccc2sc1C(=O)[O-] ZINC000738350818 599936432 /nfs/dbraw/zinc/93/64/32/599936432.db2.gz BXTKAZMLMOSIFJ-UHFFFAOYSA-N -1 0 340.404 3.619 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)Cc1ccccc1Cl)c1ccccc1 ZINC000193450763 599936875 /nfs/dbraw/zinc/93/68/75/599936875.db2.gz NBEPWFDHESHHKM-INIZCTEOSA-N -1 0 331.799 3.605 20 0 EHADRM Cc1[nH]c(-c2ccccc2)nc1C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000738452793 599949025 /nfs/dbraw/zinc/94/90/25/599949025.db2.gz SJBAQTAOKYKTTA-UHFFFAOYSA-N -1 0 335.363 3.644 20 0 EHADRM CCOc1ccc2ccccc2c1COC(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000737209768 599965516 /nfs/dbraw/zinc/96/55/16/599965516.db2.gz FQMDZNYLMCKCOH-KRWDZBQOSA-N -1 0 345.395 3.574 20 0 EHADRM COc1ccc(NC(=S)Nc2cccc(C(=O)[O-])c2)cc1Cl ZINC000243584940 599967021 /nfs/dbraw/zinc/96/70/21/599967021.db2.gz OQPOPZHELBIUQY-UHFFFAOYSA-N -1 0 336.800 3.856 20 0 EHADRM O=C([O-])c1cccc(OC(=O)[C@H](OC2CCCC2)c2ccccc2)c1 ZINC000740227704 599968088 /nfs/dbraw/zinc/96/80/88/599968088.db2.gz QVPQUSWEWGPWGP-GOSISDBHSA-N -1 0 340.375 3.991 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cccc2ccccc21)c1cc(F)ccc1F ZINC000739370708 599991349 /nfs/dbraw/zinc/99/13/49/599991349.db2.gz GLUVOXKIVBCWQJ-KRWDZBQOSA-N -1 0 341.313 3.674 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)c1cc(C)c(-c2ccc(F)cc2)s1 ZINC000236941110 599993577 /nfs/dbraw/zinc/99/35/77/599993577.db2.gz YJVIGXFVIVFIPD-UHFFFAOYSA-N -1 0 335.400 3.799 20 0 EHADRM CCOc1ccc(CNC(=O)Nc2cccc(NC(=O)[O-])c2)cc1F ZINC000737203796 599995270 /nfs/dbraw/zinc/99/52/70/599995270.db2.gz OUPLIMXTFHPKCI-UHFFFAOYSA-N -1 0 347.346 3.636 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)ccc1F ZINC000740082190 599995951 /nfs/dbraw/zinc/99/59/51/599995951.db2.gz WLSBITUOTUSWDJ-QWRGUYRKSA-N -1 0 335.281 3.544 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000738542371 599996037 /nfs/dbraw/zinc/99/60/37/599996037.db2.gz XXUGJBIWYYMUTQ-QWHCGFSZSA-N -1 0 332.302 3.681 20 0 EHADRM CCCc1cc(C(=O)Nc2cc(OC)ccc2C(=O)[O-])sc1C ZINC000322276440 600000708 /nfs/dbraw/zinc/00/07/08/600000708.db2.gz TWQUGAQMTWJCQA-UHFFFAOYSA-N -1 0 333.409 3.968 20 0 EHADRM C[C@@H](NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1cccc(Cl)c1 ZINC000326480199 600012232 /nfs/dbraw/zinc/01/22/32/600012232.db2.gz VPNZHUXOGQDPTA-LLVKDONJSA-N -1 0 344.798 3.825 20 0 EHADRM CC(C)C[C@H](NC(=O)NC1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000263031180 600012587 /nfs/dbraw/zinc/01/25/87/600012587.db2.gz PJPISRWRESFORR-JCYILVPMSA-N -1 0 332.444 3.716 20 0 EHADRM COc1ccc([C@H](C)N(C)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000737949750 600015554 /nfs/dbraw/zinc/01/55/54/600015554.db2.gz NZYSCTMXRXRLJB-ZDUSSCGKSA-N -1 0 342.395 3.927 20 0 EHADRM C[C@H](c1cccc(O)c1)N(C)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000736719304 600022021 /nfs/dbraw/zinc/02/20/21/600022021.db2.gz XGVOAJHFWDMNEN-LLVKDONJSA-N -1 0 329.356 3.707 20 0 EHADRM O=C([O-])c1ccc(C(=O)OCCc2cccc(C(F)(F)F)c2)s1 ZINC000740120355 600023569 /nfs/dbraw/zinc/02/35/69/600023569.db2.gz FUNMMYJIAGGOHG-UHFFFAOYSA-N -1 0 344.310 3.865 20 0 EHADRM Cc1cc(C)c2c(c1)c(C)cc1nnc(SCCCC(=O)[O-])n12 ZINC000738358618 600024528 /nfs/dbraw/zinc/02/45/28/600024528.db2.gz XNEILHZXHNWNGL-UHFFFAOYSA-N -1 0 329.425 3.765 20 0 EHADRM O=C([O-])C1CCC(NC(=O)Nc2ccc(Cl)c3ncccc23)CC1 ZINC000739472126 600028177 /nfs/dbraw/zinc/02/81/77/600028177.db2.gz NIVGREUCLSIWRW-UHFFFAOYSA-N -1 0 347.802 3.653 20 0 EHADRM O=C([O-])c1ccc(OCc2noc(Cc3ccccc3)n2)c(Cl)c1 ZINC000740168400 600029923 /nfs/dbraw/zinc/02/99/23/600029923.db2.gz UCWLUEYICKHMRV-UHFFFAOYSA-N -1 0 344.754 3.591 20 0 EHADRM Cc1c(NC(=O)N(CCc2ccccc2)C2CC2)cccc1C(=O)[O-] ZINC000738299900 600032088 /nfs/dbraw/zinc/03/20/88/600032088.db2.gz QJBBQMRQNWXCSL-UHFFFAOYSA-N -1 0 338.407 3.932 20 0 EHADRM CN(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237114281 600033939 /nfs/dbraw/zinc/03/39/39/600033939.db2.gz HXOPIIQPGKMEGA-UHFFFAOYSA-N -1 0 331.799 3.629 20 0 EHADRM CC(C)COc1ccc(CC(=O)Oc2cccc(C(=O)[O-])c2)cc1 ZINC000736446553 600034834 /nfs/dbraw/zinc/03/48/34/600034834.db2.gz WGFPEYIVNSKVBK-UHFFFAOYSA-N -1 0 328.364 3.568 20 0 EHADRM CCc1ccc(-c2noc(CNc3cc(C(=O)[O-])ccc3C)n2)cc1 ZINC000737256968 600035639 /nfs/dbraw/zinc/03/56/39/600035639.db2.gz VLALXYCJTUZJRP-UHFFFAOYSA-N -1 0 337.379 3.918 20 0 EHADRM CCOc1ccc([C@H](C)NC(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000675959436 600036159 /nfs/dbraw/zinc/03/61/59/600036159.db2.gz IDCOHCAUYFSYIM-AWEZNQCLSA-N -1 0 341.407 3.594 20 0 EHADRM CCc1cccc2c(CC(=O)N3CCc4cc(C(=O)[O-])ccc43)c[nH]c21 ZINC000737269976 600037060 /nfs/dbraw/zinc/03/70/60/600037060.db2.gz MMAMCOHTVPVRAG-UHFFFAOYSA-N -1 0 348.402 3.560 20 0 EHADRM CCc1cccc2c(CC(=O)Nc3ccc(F)c(C(=O)[O-])c3)c[nH]c21 ZINC000737269970 600037081 /nfs/dbraw/zinc/03/70/81/600037081.db2.gz MFUOGQXKYMBPPQ-UHFFFAOYSA-N -1 0 340.354 3.749 20 0 EHADRM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2ccc(Cl)cc2C(=O)[O-])c1 ZINC000738097826 600038015 /nfs/dbraw/zinc/03/80/15/600038015.db2.gz XRRBIPZKKVEPET-KGLIPLIRSA-N -1 0 345.782 3.789 20 0 EHADRM CSc1cccc(N(C)C(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000237365325 600042749 /nfs/dbraw/zinc/04/27/49/600042749.db2.gz VRNBEHYQDNNDIT-UHFFFAOYSA-N -1 0 329.421 3.702 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1ccccc1C(F)(F)F)C2 ZINC000326337397 600045317 /nfs/dbraw/zinc/04/53/17/600045317.db2.gz JRAPWLUEWPSIKH-UHFFFAOYSA-N -1 0 335.281 3.560 20 0 EHADRM CCCc1cc(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)sc1C ZINC000391173806 600048352 /nfs/dbraw/zinc/04/83/52/600048352.db2.gz MNESCSMLOOFWJY-UHFFFAOYSA-N -1 0 329.421 3.863 20 0 EHADRM Cc1cc(C(=O)[O-])c2sc(NC(=O)C[C@@H]3CCCC[C@H]3C)nc2n1 ZINC000738340913 600050376 /nfs/dbraw/zinc/05/03/76/600050376.db2.gz CJLNRFQJTOGOJG-KOLCDFICSA-N -1 0 347.440 3.853 20 0 EHADRM Cc1cccc2[nH]cc(CC(=O)Oc3ccc(C(=O)[O-])cc3Cl)c21 ZINC000738746083 600060933 /nfs/dbraw/zinc/06/09/33/600060933.db2.gz CARXJCIPJROIJB-UHFFFAOYSA-N -1 0 343.766 3.976 20 0 EHADRM Cc1cccc(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)c1O ZINC000738692637 600068253 /nfs/dbraw/zinc/06/82/53/600068253.db2.gz ONJBEXFQCKCIBQ-UHFFFAOYSA-N -1 0 345.420 3.661 20 0 EHADRM CC(C)(C)c1ccc2cc(C(=O)NC3CCC(C(=O)[O-])CC3)[nH]c2c1 ZINC000262669645 600074226 /nfs/dbraw/zinc/07/42/26/600074226.db2.gz QKKNAVDJPRJPRP-UHFFFAOYSA-N -1 0 342.439 3.839 20 0 EHADRM COc1ccccc1C(C)=CC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000738120154 600074640 /nfs/dbraw/zinc/07/46/40/600074640.db2.gz IYLNZFPCAAXWJC-ZRDIBKRKSA-N -1 0 326.352 3.827 20 0 EHADRM COC(=O)c1cc(F)ccc1COc1ccc(Cl)cc1C(=O)[O-] ZINC000737654377 600080542 /nfs/dbraw/zinc/08/05/42/600080542.db2.gz RTPJZHZOIUYQBX-UHFFFAOYSA-N -1 0 338.718 3.543 20 0 EHADRM C/C(=C\C(=O)N[C@H](C(=O)[O-])c1cccs1)c1ccccc1Cl ZINC000736120925 600080738 /nfs/dbraw/zinc/08/07/38/600080738.db2.gz LZSIROXBJPFUTL-FEAKQIBJSA-N -1 0 335.812 3.747 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(Cc1csc(Br)c1)C2 ZINC000131294830 600086946 /nfs/dbraw/zinc/08/69/46/600086946.db2.gz UEIQFJFVYMVULS-UHFFFAOYSA-N -1 0 338.226 3.725 20 0 EHADRM CC(C)Oc1ccc(COC(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000736494142 600090098 /nfs/dbraw/zinc/09/00/98/600090098.db2.gz IUPTXGYGYSTMOL-UHFFFAOYSA-N -1 0 342.391 3.848 20 0 EHADRM Cc1ccc(SCC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000738668285 600090728 /nfs/dbraw/zinc/09/07/28/600090728.db2.gz UZBMNPDUSHYORA-UHFFFAOYSA-N -1 0 334.372 3.955 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N(C)C[C@@H](C)C(=O)[O-])c(F)c2)cc1 ZINC000237580109 600100260 /nfs/dbraw/zinc/10/02/60/600100260.db2.gz LBXPJQSCNFHSIN-CYBMUJFWSA-N -1 0 329.371 3.594 20 0 EHADRM CCOc1cc(-c2nc(C3CCCCC3)no2)ccc1OCC(=O)[O-] ZINC000737179404 600107745 /nfs/dbraw/zinc/10/77/45/600107745.db2.gz IDBYXZBYNATHJU-UHFFFAOYSA-N -1 0 346.383 3.646 20 0 EHADRM C[C@H](Oc1ccc(F)cc1)c1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000736703429 600110384 /nfs/dbraw/zinc/11/03/84/600110384.db2.gz TYENHLMLCWNAAT-JTQLQIEISA-N -1 0 328.299 3.714 20 0 EHADRM Cc1cccc(OCCCc2nc(-c3ccc(C(=O)[O-])cc3)no2)c1 ZINC000738737607 600111772 /nfs/dbraw/zinc/11/17/72/600111772.db2.gz GKMDVTLOTMQEHF-UHFFFAOYSA-N -1 0 338.363 3.755 20 0 EHADRM C[C@@H]1c2ccccc2CCN1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000736840880 600112484 /nfs/dbraw/zinc/11/24/84/600112484.db2.gz TUQZZMZKYUSZBD-LLVKDONJSA-N -1 0 328.343 3.675 20 0 EHADRM Cc1ccc(C(=O)CCc2nc(-c3ccc(C(=O)[O-])cc3)no2)cc1 ZINC000738502808 600112657 /nfs/dbraw/zinc/11/26/57/600112657.db2.gz LQEHXRPPVQGKGS-UHFFFAOYSA-N -1 0 336.347 3.559 20 0 EHADRM O=C([O-])c1ccc(OCc2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000013413582 600120525 /nfs/dbraw/zinc/12/05/25/600120525.db2.gz YGZVWXMBUJXZSX-UHFFFAOYSA-N -1 0 330.727 3.667 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)c1ccc(-n2cccc2)cc1 ZINC000736188260 600123242 /nfs/dbraw/zinc/12/32/42/600123242.db2.gz AUNWOEFBRNNOOK-UHFFFAOYSA-N -1 0 349.342 3.597 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2cc3c(cccc3F)[nH]2)ccc1F ZINC000740009069 600123642 /nfs/dbraw/zinc/12/36/42/600123642.db2.gz WVUPFHHUTBLIGO-UHFFFAOYSA-N -1 0 331.278 3.788 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCC2(c3ccc(Cl)cc3)CC2)s1 ZINC000238008668 600123657 /nfs/dbraw/zinc/12/36/57/600123657.db2.gz SQCCCRVDMPIKDN-UHFFFAOYSA-N -1 0 335.812 3.561 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)CSc1ccccc1C ZINC000736188668 600123823 /nfs/dbraw/zinc/12/38/23/600123823.db2.gz GNEPJYKOHOQCKZ-UHFFFAOYSA-N -1 0 344.388 3.594 20 0 EHADRM Cc1oc(CN(C)C(=O)N[C@H]2CCC[C@H](C(C)C)C2)cc1C(=O)[O-] ZINC000738967067 600126065 /nfs/dbraw/zinc/12/60/65/600126065.db2.gz JFHHZNPPQSEZST-KBPBESRZSA-N -1 0 336.432 3.642 20 0 EHADRM CC[C@@](NC(=O)c1cc(C)nc2ccccc21)(C(=O)[O-])c1ccccc1 ZINC000485388414 600127717 /nfs/dbraw/zinc/12/77/17/600127717.db2.gz WGNCPEPUECMSRM-NRFANRHFSA-N -1 0 348.402 3.663 20 0 EHADRM CC[C@@](NCc1coc(-c2cccs2)n1)(C(=O)[O-])c1ccccc1 ZINC000736919961 600131725 /nfs/dbraw/zinc/13/17/25/600131725.db2.gz FCWBQMKZYXXCKJ-SFHVURJKSA-N -1 0 342.420 3.883 20 0 EHADRM Cc1ccc(OC(=O)Cc2cccc(OC(C)C)c2)c(C(=O)[O-])c1 ZINC000738640931 600132818 /nfs/dbraw/zinc/13/28/18/600132818.db2.gz QDKWVFNVEIPEHH-UHFFFAOYSA-N -1 0 328.364 3.629 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCc1ncc(-c2ccc(F)cc2)o1 ZINC000013420609 600141465 /nfs/dbraw/zinc/14/14/65/600141465.db2.gz RKGVINNDOCBTKI-UHFFFAOYSA-N -1 0 343.310 3.767 20 0 EHADRM CCC[C@](C)(NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000362525446 600143659 /nfs/dbraw/zinc/14/36/59/600143659.db2.gz MOZLSFUNVOSSIX-OZVIIMIRSA-N -1 0 344.238 3.857 20 0 EHADRM Cc1oc(CN2C[C@@H](c3ccccc3)OCC2(C)C)cc1C(=O)[O-] ZINC000583446226 600145063 /nfs/dbraw/zinc/14/50/63/600145063.db2.gz UWVCHXVGXNKHJN-KRWDZBQOSA-N -1 0 329.396 3.638 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000738126908 600145209 /nfs/dbraw/zinc/14/52/09/600145209.db2.gz ZREAFSAHAQYIBB-ZDUSSCGKSA-N -1 0 342.395 3.993 20 0 EHADRM O=C([O-])c1coc(C(=O)CSc2ccc(Br)cc2)c1 ZINC000740258709 600146916 /nfs/dbraw/zinc/14/69/16/600146916.db2.gz QHBMTPYWFMGFRQ-UHFFFAOYSA-N -1 0 341.182 3.715 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)CCc1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000236946013 600150282 /nfs/dbraw/zinc/15/02/82/600150282.db2.gz VDTJLSFJTIAJSK-LIRRHRJNSA-N -1 0 347.455 3.556 20 0 EHADRM Cc1ccc2c(Cl)c(C(=O)N3CCCC[C@H]3C(=O)[O-])sc2c1 ZINC000680896865 600153474 /nfs/dbraw/zinc/15/34/74/600153474.db2.gz PNPLCHAWUCAIGO-NSHDSACASA-N -1 0 337.828 3.942 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)OCc2nc(Cl)ccc2Cl)cc1 ZINC000738664376 600163279 /nfs/dbraw/zinc/16/32/79/600163279.db2.gz MPDWKEOZHNYZBK-UHFFFAOYSA-N -1 0 341.150 3.835 20 0 EHADRM Cc1cc(C)cc(C(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC000237828933 600166569 /nfs/dbraw/zinc/16/65/69/600166569.db2.gz DTUNARUIHWNBKD-UHFFFAOYSA-N -1 0 347.361 3.699 20 0 EHADRM Cc1ccc(OCCC(=O)Nc2ccc(C(=O)[O-])cc2F)c(C)c1 ZINC000325104126 600167667 /nfs/dbraw/zinc/16/76/67/600167667.db2.gz VGCBDDRNCGDGEF-UHFFFAOYSA-N -1 0 331.343 3.548 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N2CC[C@@H](c3ccccc3F)C2)c1 ZINC000740229109 600172547 /nfs/dbraw/zinc/17/25/47/600172547.db2.gz WKCBWBLUVKCIJL-CYBMUJFWSA-N -1 0 328.343 3.545 20 0 EHADRM CCCc1ccc(NC(=O)NC[C@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000737045141 600176117 /nfs/dbraw/zinc/17/61/17/600176117.db2.gz OJLGGNKLDRVHBU-SFHVURJKSA-N -1 0 340.423 3.937 20 0 EHADRM Cc1ccc([C@H](CNC(=O)Nc2cccc(C)c2C)C(=O)[O-])cc1 ZINC000738558559 600176577 /nfs/dbraw/zinc/17/65/77/600176577.db2.gz DBTDHYJLRIHIOU-INIZCTEOSA-N -1 0 326.396 3.602 20 0 EHADRM O=C(CC[C@@H]1CCCCO1)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000320559132 600191157 /nfs/dbraw/zinc/19/11/57/600191157.db2.gz JYJWRDJTURTUMO-NSHDSACASA-N -1 0 337.441 3.613 20 0 EHADRM Cc1c(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cccc1C(=O)[O-] ZINC000320374207 600193327 /nfs/dbraw/zinc/19/33/27/600193327.db2.gz FNZNEBIKIQLZIN-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000739470895 600195345 /nfs/dbraw/zinc/19/53/45/600195345.db2.gz GQXITROSJJKPQQ-UHFFFAOYSA-N -1 0 342.301 3.706 20 0 EHADRM C[C@@H](c1ccccc1)N(C(=O)CCSCC(=O)[O-])c1ccccc1 ZINC000736719317 600195804 /nfs/dbraw/zinc/19/58/04/600195804.db2.gz XKMLKZCFOGLSQY-HNNXBMFYSA-N -1 0 343.448 3.989 20 0 EHADRM CC(C)COc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000324783780 600200538 /nfs/dbraw/zinc/20/05/38/600200538.db2.gz JARBSYOZARRVSB-UHFFFAOYSA-N -1 0 331.343 3.811 20 0 EHADRM Cc1cnn(-c2ccc(NCc3cccc(C(=O)[O-])c3)cc2F)c1 ZINC000738810265 600207129 /nfs/dbraw/zinc/20/71/29/600207129.db2.gz XBALFOITQRTCQW-UHFFFAOYSA-N -1 0 325.343 3.630 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000237599804 600207490 /nfs/dbraw/zinc/20/74/90/600207490.db2.gz KNJZITHSHNTOED-HNNXBMFYSA-N -1 0 341.407 3.981 20 0 EHADRM CC(C)c1ccc(NC(=O)CN(C)[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000736515498 600213138 /nfs/dbraw/zinc/21/31/38/600213138.db2.gz NBWMVNCNOBMLFD-LJQANCHMSA-N -1 0 340.423 3.506 20 0 EHADRM O=C([O-])c1sc(N[C@@H]2C[C@H]2c2c(F)cccc2F)nc1Cl ZINC000740278073 600215418 /nfs/dbraw/zinc/21/54/18/600215418.db2.gz BAWGULRKGGHSQZ-SVGQVSJJSA-N -1 0 330.743 3.741 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)c1ccccc1N1CCCCC1 ZINC000738966334 600216809 /nfs/dbraw/zinc/21/68/09/600216809.db2.gz ROVZANCOWWWGNV-UHFFFAOYSA-N -1 0 343.379 3.634 20 0 EHADRM Cc1cccc(C2(C(=O)N3C[C@@H](C(=O)[O-])c4ccccc43)CCC2)c1 ZINC000327226048 600218338 /nfs/dbraw/zinc/21/83/38/600218338.db2.gz QVFMPESKCVWHBH-QGZVFWFLSA-N -1 0 335.403 3.632 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)/C=C\c2ccc(Cl)cc2)c2ccccc21 ZINC000390843821 600219482 /nfs/dbraw/zinc/21/94/82/600219482.db2.gz CIXAQSTVXWUXPC-XMELGKRDSA-N -1 0 327.767 3.568 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)N3C[C@H](C(=O)[O-])c4ccccc43)cc2C1 ZINC000177480614 600220597 /nfs/dbraw/zinc/22/05/97/600220597.db2.gz SUPKDNDLPWGLDA-RISCZKNCSA-N -1 0 341.432 3.702 20 0 EHADRM CCC1=C(C(=O)[O-])[C@H](c2cccs2)NC(=O)N1Cc1cccs1 ZINC000736931704 600228490 /nfs/dbraw/zinc/22/84/90/600228490.db2.gz IGQLTAWWQPTJKY-AWEZNQCLSA-N -1 0 348.449 3.825 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N2CCC(c3ccccc3F)CC2)c1 ZINC000740228533 600242143 /nfs/dbraw/zinc/24/21/43/600242143.db2.gz OODHBRHWOUULBS-UHFFFAOYSA-N -1 0 342.370 3.935 20 0 EHADRM O=C([O-])c1ccc(-c2noc(/C=C/c3cnc4ccccc4n3)n2)cc1 ZINC000740101636 600246585 /nfs/dbraw/zinc/24/65/85/600246585.db2.gz PTPXIMHRTNCZBQ-MDZDMXLPSA-N -1 0 344.330 3.548 20 0 EHADRM O=C([O-])c1cn(Cc2nc(CCc3ccccc3)no2)c2ccccc12 ZINC000740251850 600247089 /nfs/dbraw/zinc/24/70/89/600247089.db2.gz BBMIEZLROJRNLV-UHFFFAOYSA-N -1 0 347.374 3.556 20 0 EHADRM Cc1oc(COC(=O)CCc2cc(Cl)cs2)cc1C(=O)[O-] ZINC000738981607 600247264 /nfs/dbraw/zinc/24/72/64/600247264.db2.gz KUXARHKXCFWZMS-UHFFFAOYSA-N -1 0 328.773 3.677 20 0 EHADRM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1cccc(CSC2CCCCC2)c1 ZINC000439809258 600251700 /nfs/dbraw/zinc/25/17/00/600251700.db2.gz OWNUODYWFYFQEQ-CVEARBPZSA-N -1 0 333.453 3.912 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(Oc3ccccn3)cc2)cc1 ZINC000740115339 600252072 /nfs/dbraw/zinc/25/20/72/600252072.db2.gz UYHHNXTWJITNLA-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM Cc1cc(NC(=O)c2csc(-c3ccccc3F)n2)c(C(=O)[O-])[nH]1 ZINC000738453829 600254259 /nfs/dbraw/zinc/25/42/59/600254259.db2.gz WEWDDRKOVLQUBF-UHFFFAOYSA-N -1 0 345.355 3.536 20 0 EHADRM Cc1oc(CN(C)C(=O)C(C)(C)c2cccc(Cl)c2)cc1C(=O)[O-] ZINC000262400927 600256315 /nfs/dbraw/zinc/25/63/15/600256315.db2.gz AEFSIJJOWNPEAB-UHFFFAOYSA-N -1 0 349.814 3.876 20 0 EHADRM Cc1cc(NC(=O)[C@H](C)Oc2cccc(C(C)C)c2)c(C(=O)[O-])[nH]1 ZINC000738418048 600257360 /nfs/dbraw/zinc/25/73/60/600257360.db2.gz NBHAOTVDTDSUCC-LBPRGKRZSA-N -1 0 330.384 3.551 20 0 EHADRM CC(C)(CCCc1ccccc1)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000262486134 600266606 /nfs/dbraw/zinc/26/66/06/600266606.db2.gz VMMCJXVFJLRMKM-QGZVFWFLSA-N -1 0 343.467 3.749 20 0 EHADRM O=C([O-])Cc1csc(NC(=O)N2CCCCC[C@@H]2c2ccco2)n1 ZINC000738633397 600267254 /nfs/dbraw/zinc/26/72/54/600267254.db2.gz GQYAIQKNRHZSJC-GFCCVEGCSA-N -1 0 349.412 3.512 20 0 EHADRM O=C([O-])c1ccc(C(=O)OCCCc2cccc3ccccc32)nc1 ZINC000740120333 600269942 /nfs/dbraw/zinc/26/99/42/600269942.db2.gz FAFJFQCSMOFFRK-UHFFFAOYSA-N -1 0 335.359 3.723 20 0 EHADRM C[C@@H]1CCCC[C@H]1NC(=S)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736784377 600279466 /nfs/dbraw/zinc/27/94/66/600279466.db2.gz IDRTUMCLIPKTTJ-IUODEOHRSA-N -1 0 335.473 3.662 20 0 EHADRM C[C@H](NC(=S)Nc1ccc(CNC(=O)[O-])cc1)c1ccccc1 ZINC000736661236 600280267 /nfs/dbraw/zinc/28/02/67/600280267.db2.gz UJSHGGPOUZTZJK-LBPRGKRZSA-N -1 0 329.425 3.502 20 0 EHADRM CC[C@@H]1CCCN(C(=O)c2ccccc2S[C@@H](C)C(=O)[O-])CC1 ZINC000262060197 600281412 /nfs/dbraw/zinc/28/14/12/600281412.db2.gz CZMRDLIFTYPFJW-UONOGXRCSA-N -1 0 335.469 3.904 20 0 EHADRM CCOc1cc(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)ccc1C ZINC000737186240 600281934 /nfs/dbraw/zinc/28/19/34/600281934.db2.gz JBEGHNFOZYBTTH-UHFFFAOYSA-N -1 0 342.395 3.756 20 0 EHADRM CC[C@H](C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)c1c(C)noc1C ZINC000736848085 600283434 /nfs/dbraw/zinc/28/34/34/600283434.db2.gz MHBHBKXMXCHDEH-HNNXBMFYSA-N -1 0 345.399 3.534 20 0 EHADRM O=C([O-])[C@H]1CC12CCN(Cc1csc(-c3cccs3)n1)CC2 ZINC000652479698 600296938 /nfs/dbraw/zinc/29/69/38/600296938.db2.gz ZOISJJKQQPFJHW-GFCCVEGCSA-N -1 0 334.466 3.558 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(C(=O)NCCCC(=O)[O-])cc1F ZINC000237648716 600303534 /nfs/dbraw/zinc/30/35/34/600303534.db2.gz JEVNJBFRPNTNAN-UHFFFAOYSA-N -1 0 333.334 3.535 20 0 EHADRM CN(Cc1ccc(NC(=O)c2cc(Cl)c(Cl)[nH]2)cc1)C(=O)[O-] ZINC000737485415 600307010 /nfs/dbraw/zinc/30/70/10/600307010.db2.gz MIKWNKGLNGFXDS-UHFFFAOYSA-N -1 0 342.182 3.684 20 0 EHADRM COc1ccc(/C=C/C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000737983791 600321430 /nfs/dbraw/zinc/32/14/30/600321430.db2.gz XHFZMQOYWHUUKK-PYUISTEWSA-N -1 0 346.766 3.731 20 0 EHADRM CCOC(=O)[C@H](Nc1ccc(CN(C)C(=O)[O-])cc1)c1ccccc1 ZINC000737133483 600326891 /nfs/dbraw/zinc/32/68/91/600326891.db2.gz ZOJCNAALIVHBHQ-QGZVFWFLSA-N -1 0 342.395 3.513 20 0 EHADRM CC[C@@H](Nc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000736925044 600330749 /nfs/dbraw/zinc/33/07/49/600330749.db2.gz PTSHOMJVJXRGDZ-HZPDHXFCSA-N -1 0 347.798 3.900 20 0 EHADRM COc1c(C)ccc(NC(=O)Nc2ccc(CNC(=O)[O-])cc2)c1C ZINC000737840524 600335685 /nfs/dbraw/zinc/33/56/85/600335685.db2.gz YFHJZRUNUDDGBF-UHFFFAOYSA-N -1 0 343.383 3.724 20 0 EHADRM CC[C@H](C)Oc1ccc(NC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000736887631 600337562 /nfs/dbraw/zinc/33/75/62/600337562.db2.gz UEHMHPFNFLRIOJ-XJKSGUPXSA-N -1 0 346.427 3.583 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)[C@@H](C)C1 ZINC000736768460 600341313 /nfs/dbraw/zinc/34/13/13/600341313.db2.gz JUNOLJJNISGFPS-WWGRRREGSA-N -1 0 333.432 3.743 20 0 EHADRM CN(Cc1ccc(NC(=O)NCCCc2ccccc2)cc1)C(=O)[O-] ZINC000737480747 600344924 /nfs/dbraw/zinc/34/49/24/600344924.db2.gz SDISVIUOOXVYEB-UHFFFAOYSA-N -1 0 341.411 3.551 20 0 EHADRM C[C@H]1CCC[C@H](CNC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C1 ZINC000736774386 600347295 /nfs/dbraw/zinc/34/72/95/600347295.db2.gz GTTROKPAQLYMIC-ZFWWWQNUSA-N -1 0 333.432 3.744 20 0 EHADRM O=C([O-])Nc1cccc(N[C@@H]2CCN(c3ccccc3Cl)C2=O)c1 ZINC000740041097 600350569 /nfs/dbraw/zinc/35/05/69/600350569.db2.gz OGHOVDDZPXPKBS-CQSZACIVSA-N -1 0 345.786 3.647 20 0 EHADRM Cc1ccccc1[C@@H](C)N(C)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000738756150 600351635 /nfs/dbraw/zinc/35/16/35/600351635.db2.gz HJYDKVWZZJZOME-CQSZACIVSA-N -1 0 341.411 3.988 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)N2CCC[C@@H]2c2ccsc2)cc1 ZINC000739987948 600353129 /nfs/dbraw/zinc/35/31/29/600353129.db2.gz IEPHSJYFHGFYRH-OAHLLOKOSA-N -1 0 345.424 3.885 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)NCCCC2CCCCC2)cc1 ZINC000739987583 600353858 /nfs/dbraw/zinc/35/38/58/600353858.db2.gz CSIRETNDDVOFDQ-UHFFFAOYSA-N -1 0 333.432 3.936 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)NCc2coc3ccccc23)cc1 ZINC000739991107 600355244 /nfs/dbraw/zinc/35/52/44/600355244.db2.gz JCMILRUTABGEFT-UHFFFAOYSA-N -1 0 339.351 3.522 20 0 EHADRM Cc1cc(NC(=O)c2ccccc2OC2CCC2)sc1C(=O)[O-] ZINC000738240528 600368810 /nfs/dbraw/zinc/36/88/10/600368810.db2.gz NVZHQMKOKSGPOF-UHFFFAOYSA-N -1 0 331.393 3.938 20 0 EHADRM Cc1cc(NC(=O)c2ccc(-c3ccco3)nc2C)sc1C(=O)[O-] ZINC000738240029 600373105 /nfs/dbraw/zinc/37/31/05/600373105.db2.gz GECDSMQGUXLINS-UHFFFAOYSA-N -1 0 342.376 3.970 20 0 EHADRM C[C@@H](CC(=O)NC1(C(=O)[O-])CCCC1)c1cccc(C(F)(F)F)c1 ZINC000237391516 600373894 /nfs/dbraw/zinc/37/38/94/600373894.db2.gz QTJPHFTXTKQJDG-NSHDSACASA-N -1 0 343.345 3.713 20 0 EHADRM Cc1c(NC(=O)Cc2csc(-c3ccoc3)n2)cccc1C(=O)[O-] ZINC000675965885 600374924 /nfs/dbraw/zinc/37/49/24/600374924.db2.gz DRZPHXYAFCRRLY-UHFFFAOYSA-N -1 0 342.376 3.591 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000139447336 600378172 /nfs/dbraw/zinc/37/81/72/600378172.db2.gz AJIMDMGSOGPNRT-RDTXWAMCSA-N -1 0 343.398 3.727 20 0 EHADRM C[C@@H](C(=O)Nc1cccc(CSCC(=O)[O-])c1)c1cccs1 ZINC000237493688 600378289 /nfs/dbraw/zinc/37/82/89/600378289.db2.gz VZBDCQYFJVVDBN-LLVKDONJSA-N -1 0 335.450 3.808 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)CSc1ccc(F)cc1)c1ccccc1 ZINC000736852989 600379630 /nfs/dbraw/zinc/37/96/30/600379630.db2.gz PZNPATXMMDACMY-MRXNPFEDSA-N -1 0 347.411 3.814 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000736626201 600380040 /nfs/dbraw/zinc/38/00/40/600380040.db2.gz LEVSIYXBZCUGCG-SNVBAGLBSA-N -1 0 335.762 3.995 20 0 EHADRM CC[C@H](C)[C@H]1CCCCN1C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000736881122 600381074 /nfs/dbraw/zinc/38/10/74/600381074.db2.gz WMBWKYUYSXKVSX-WMLDXEAASA-N -1 0 342.439 3.767 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)N2CCCC3(CCCCC3)C2)c1 ZINC000738612246 600381256 /nfs/dbraw/zinc/38/12/56/600381256.db2.gz KACRKSZEHYRONI-UHFFFAOYSA-N -1 0 346.427 3.728 20 0 EHADRM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)NC(C)(C)CCC(=O)[O-] ZINC000237653360 600381649 /nfs/dbraw/zinc/38/16/49/600381649.db2.gz XAIIPIXFBKGGCT-ZDUSSCGKSA-N -1 0 335.444 3.511 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)c(C)c1 ZINC000738588984 600382525 /nfs/dbraw/zinc/38/25/25/600382525.db2.gz IUWZYBLFLDBJEE-ZDUSSCGKSA-N -1 0 344.386 3.893 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(C)(C)Cc1ccccc1 ZINC000237749366 600382672 /nfs/dbraw/zinc/38/26/72/600382672.db2.gz UDYZLIOJFLYCOD-UHFFFAOYSA-N -1 0 341.407 3.666 20 0 EHADRM CC1(c2ccccc2)CC(NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000736741740 600383149 /nfs/dbraw/zinc/38/31/49/600383149.db2.gz NJVFZDYNAJMORQ-UHFFFAOYSA-N -1 0 342.370 3.766 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)CCc1cc(F)ccc1F)c1ccccc1 ZINC000736845704 600388180 /nfs/dbraw/zinc/38/81/80/600388180.db2.gz CLTKXRPRJZMTHC-KRWDZBQOSA-N -1 0 347.361 3.794 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)CCc1cccc(F)c1F)c1ccccc1 ZINC000736854051 600388902 /nfs/dbraw/zinc/38/89/02/600388902.db2.gz WXTAMUNYBRTDQL-MRXNPFEDSA-N -1 0 347.361 3.794 20 0 EHADRM O=C([O-])c1cc(NC(=O)NCCc2ccccc2Cl)ccc1F ZINC000739432829 600389403 /nfs/dbraw/zinc/38/94/03/600389403.db2.gz UPRFLSFWWPVKAY-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)/C=C/c2ccco2)cc1 ZINC000236605804 600391104 /nfs/dbraw/zinc/39/11/04/600391104.db2.gz CVNUHSZRGHFZRG-SXSDINLZSA-N -1 0 341.407 3.923 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)c(C)[nH]1 ZINC000678980195 600393392 /nfs/dbraw/zinc/39/33/92/600393392.db2.gz CGOKSLKFSJJLAU-KRWDZBQOSA-N -1 0 342.439 3.875 20 0 EHADRM CCOc1cccc([C@H](C)NC(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC000737210918 600398702 /nfs/dbraw/zinc/39/87/02/600398702.db2.gz PGRSUMIRSIKKCR-NSHDSACASA-N -1 0 346.358 3.805 20 0 EHADRM CCC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccccn1 ZINC000736974338 600401859 /nfs/dbraw/zinc/40/18/59/600401859.db2.gz QENXNCIRUNBSJJ-OAHLLOKOSA-N -1 0 331.347 3.582 20 0 EHADRM COc1ccccc1C(C)(C)NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000738118714 600402408 /nfs/dbraw/zinc/40/24/08/600402408.db2.gz CLRMUBIOTFLHPY-UHFFFAOYSA-N -1 0 346.358 3.589 20 0 EHADRM O=C([O-])[C@H](c1ccccc1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000517381391 600403494 /nfs/dbraw/zinc/40/34/94/600403494.db2.gz JSPQMTCKPLVWQQ-IRXDYDNUSA-N -1 0 349.789 3.678 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)Nc2cc(C(=O)[O-])ccc2F)s1 ZINC000237764327 600404757 /nfs/dbraw/zinc/40/47/57/600404757.db2.gz RZKLURLOZAXGTI-UHFFFAOYSA-N -1 0 345.298 3.748 20 0 EHADRM CCc1[nH]c(C(=O)N(CC(F)(F)F)[C@H](C)C(C)C)c(C)c1C(=O)[O-] ZINC000737237788 600409441 /nfs/dbraw/zinc/40/94/41/600409441.db2.gz PUJSZLFTPVIFBK-SNVBAGLBSA-N -1 0 348.365 3.633 20 0 EHADRM CCc1ccc([C@H]2CCCN2CC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)o1 ZINC000737259124 600411548 /nfs/dbraw/zinc/41/15/48/600411548.db2.gz NFUYTTGBZGXIEO-CQSZACIVSA-N -1 0 344.411 3.505 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000485798959 600413875 /nfs/dbraw/zinc/41/38/75/600413875.db2.gz UMWJHPKZFDSCKA-SJORKVTESA-N -1 0 349.446 3.792 20 0 EHADRM CCCc1c(C(=O)N[C@H](C)Cc2ccc(C)s2)[nH]c(C)c1C(=O)[O-] ZINC000737039885 600414126 /nfs/dbraw/zinc/41/41/26/600414126.db2.gz BLYSNMFIFBJRAB-SNVBAGLBSA-N -1 0 348.468 3.705 20 0 EHADRM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2cccc(C(=O)[O-])n2)cc1 ZINC000439797089 600415325 /nfs/dbraw/zinc/41/53/25/600415325.db2.gz ZYKOEDURUIBSNX-KBXCAEBGSA-N -1 0 338.407 3.702 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)NC(C)(C)CCC(=O)[O-] ZINC000610845210 600417791 /nfs/dbraw/zinc/41/77/91/600417791.db2.gz CRZYKGLKYGQJEF-UHFFFAOYSA-N -1 0 335.425 3.669 20 0 EHADRM O=C([O-])[C@@H](N[C@H](c1ccco1)c1ccccc1)c1ccc(F)cc1 ZINC000739501392 600420054 /nfs/dbraw/zinc/42/00/54/600420054.db2.gz HBJOVEPVHNZGPF-ROUUACIJSA-N -1 0 325.339 3.924 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)OCc1cccc(C(=O)[O-])c1 ZINC000736928841 600421743 /nfs/dbraw/zinc/42/17/43/600421743.db2.gz LVMWKTRQXZGVBQ-INIZCTEOSA-N -1 0 330.405 3.999 20 0 EHADRM COCCOc1ccc(N[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000737822640 600422816 /nfs/dbraw/zinc/42/28/16/600422816.db2.gz XGXSCQVSVGJCAZ-MRXNPFEDSA-N -1 0 335.787 3.603 20 0 EHADRM O=C([O-])[C@H](Nc1ccc(N2CCCC2)c(F)c1)c1ccc(F)cc1 ZINC000739512428 600427294 /nfs/dbraw/zinc/42/72/94/600427294.db2.gz NDASKWZLVBDOFA-QGZVFWFLSA-N -1 0 332.350 3.803 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)c2cc3c(s2)CCCCCC3)c1 ZINC000321815701 600430849 /nfs/dbraw/zinc/43/08/49/600430849.db2.gz DEOWLAGLOQJSTE-UHFFFAOYSA-N -1 0 330.409 3.753 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@@H]1CSc2ccccc21 ZINC000738533216 600440255 /nfs/dbraw/zinc/44/02/55/600440255.db2.gz PEYZGCZIOPLHJQ-CQSZACIVSA-N -1 0 328.393 3.662 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cc2ccccc2cc1O)c1ccc(F)cc1 ZINC000740294395 600449645 /nfs/dbraw/zinc/44/96/45/600449645.db2.gz YLPPNNLUXBRMIL-KRWDZBQOSA-N -1 0 340.306 3.667 20 0 EHADRM O=C([O-])[C@@H](OC(=O)Cc1csc2ccccc12)c1ccc(F)cc1 ZINC000739355090 600452527 /nfs/dbraw/zinc/45/25/27/600452527.db2.gz FZOIAHMNTQROCJ-KRWDZBQOSA-N -1 0 344.363 3.952 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)OC(=O)[C@H](C)CC2CCCC2)c(C)c1C(=O)[O-] ZINC000738238821 600453809 /nfs/dbraw/zinc/45/38/09/600453809.db2.gz ZGDFDRZPVVUCIC-MFKMUULPSA-N -1 0 349.427 3.661 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)Nc2cc(C(=O)[O-])ccc2C)s1 ZINC000321855071 600454005 /nfs/dbraw/zinc/45/40/05/600454005.db2.gz LDWIRJVYWOQTGN-NSHDSACASA-N -1 0 332.425 3.816 20 0 EHADRM C[C@@]1(C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)CCCc2ccccc21 ZINC000736728151 600454599 /nfs/dbraw/zinc/45/45/99/600454599.db2.gz JMJIFRSRLDDZEM-FXAWDEMLSA-N -1 0 342.366 3.789 20 0 EHADRM CSc1ccsc1C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738212058 600455988 /nfs/dbraw/zinc/45/59/88/600455988.db2.gz ZGBPDMIHWYQWCN-NSHDSACASA-N -1 0 326.370 3.592 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)N2CCC[C@]3(CC=CCC3)C2)c1 ZINC000740140144 600456157 /nfs/dbraw/zinc/45/61/57/600456157.db2.gz BLCKEGQOZYCWEO-GOSISDBHSA-N -1 0 332.375 3.878 20 0 EHADRM C[C@@H]1CCCCCN1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000736786043 600456594 /nfs/dbraw/zinc/45/65/94/600456594.db2.gz YSDTZMCZDCDTSZ-CYBMUJFWSA-N -1 0 336.457 3.801 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCC[C@]3(CC=CCC3)C2)c(F)c1 ZINC000740145568 600457024 /nfs/dbraw/zinc/45/70/24/600457024.db2.gz ABIGFBHOYQOVHR-GOSISDBHSA-N -1 0 332.375 3.878 20 0 EHADRM CCC1CCC(NC(=O)NCCc2ccc(NC(=O)[O-])cc2)CC1 ZINC000736939768 600457025 /nfs/dbraw/zinc/45/70/25/600457025.db2.gz GBOZWZGVJGBOST-UHFFFAOYSA-N -1 0 333.432 3.587 20 0 EHADRM C[C@H](CC(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1)c1cccc(F)c1 ZINC000736555128 600457162 /nfs/dbraw/zinc/45/71/62/600457162.db2.gz BHIVCIVPCFLIBG-PIGZYNQJSA-N -1 0 334.318 3.828 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)c1cc2cc(F)ccc2o1 ZINC000740289750 600458034 /nfs/dbraw/zinc/45/80/34/600458034.db2.gz JOHPZFLDDVSLHW-UHFFFAOYSA-N -1 0 332.258 3.766 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)Oc2cccc(CC(=O)[O-])c2)s1 ZINC000738465666 600459256 /nfs/dbraw/zinc/45/92/56/600459256.db2.gz XOCLYMHGZQEXMF-UHFFFAOYSA-N -1 0 342.319 3.504 20 0 EHADRM CC(C)c1ccc2c(Cl)c(C(=O)NCCC(=O)[O-])sc2c1 ZINC000736521662 600459560 /nfs/dbraw/zinc/45/95/60/600459560.db2.gz PCCITHXBZIHVBL-UHFFFAOYSA-N -1 0 325.817 3.883 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)N2CCC3(CCCC3)CC2)cc1 ZINC000740017571 600460406 /nfs/dbraw/zinc/46/04/06/600460406.db2.gz KRMFACHSHRKVJA-UHFFFAOYSA-N -1 0 345.443 3.685 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)N[C@H](CC(=O)[O-])c1ccc(OC)cc1 ZINC000736903675 600466487 /nfs/dbraw/zinc/46/64/87/600466487.db2.gz ARPJFRUKYXJXSY-MAUKXSAKSA-N -1 0 347.455 3.934 20 0 EHADRM CC(C)[C@H](OC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000736556597 600467638 /nfs/dbraw/zinc/46/76/38/600467638.db2.gz MBNHHAFBJTZVGA-HZMBPMFUSA-N -1 0 332.318 3.851 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](NC(=O)N1CC[C@@H](C(=O)[O-])C1)C(C)C ZINC000263295664 600470425 /nfs/dbraw/zinc/47/04/25/600470425.db2.gz WAVIRDAAXODYBL-CJNGLKHVSA-N -1 0 344.411 3.554 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)CCc2cccs2)cc1 ZINC000238001470 600481521 /nfs/dbraw/zinc/48/15/21/600481521.db2.gz BWZZSFIWOFRIPO-UHFFFAOYSA-N -1 0 333.409 3.563 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)Cc2ccccc2Cl)cc1 ZINC000238002533 600482369 /nfs/dbraw/zinc/48/23/69/600482369.db2.gz PIDGYCPDRCRVBR-UHFFFAOYSA-N -1 0 347.798 3.765 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccc(C(C)(C)C)cc1 ZINC000263143240 600489966 /nfs/dbraw/zinc/48/99/66/600489966.db2.gz ZZPOKSNDIOMMFS-ZFWWWQNUSA-N -1 0 332.444 3.551 20 0 EHADRM Cc1cc(NC(=O)NCCOC2CCCCCC2)ccc1C(=O)[O-] ZINC000738442360 600505965 /nfs/dbraw/zinc/50/59/65/600505965.db2.gz WENNYLVHIBKOQP-UHFFFAOYSA-N -1 0 334.416 3.554 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N(Cc2cccnc2)C2CC2)cc1Cl ZINC000740145636 600509022 /nfs/dbraw/zinc/50/90/22/600509022.db2.gz CDZPTMZDOPEWSH-UHFFFAOYSA-N -1 0 345.786 3.630 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@@H]2C[C@H]2c2ccccc2)cc1Cl ZINC000321405241 600510282 /nfs/dbraw/zinc/51/02/82/600510282.db2.gz AOWRDLXYKHORDF-DZGCQCFKSA-N -1 0 330.771 3.716 20 0 EHADRM CC(C)CO[C@@H]1C[C@@H](OC(=O)c2ccc(NC(=O)[O-])cc2)C1(C)C ZINC000736445187 600511679 /nfs/dbraw/zinc/51/16/79/600511679.db2.gz ZEJZRTNIJJADQV-HUUCEWRRSA-N -1 0 335.400 3.773 20 0 EHADRM Cc1ccccc1[C@H](CC(C)C)NC(=O)N1CCC(CC(=O)[O-])CC1 ZINC000738320552 600515513 /nfs/dbraw/zinc/51/55/13/600515513.db2.gz ISDWMFHTOQSDCN-SFHVURJKSA-N -1 0 346.471 3.979 20 0 EHADRM Cc1nc(NC(=O)[C@@H](Cc2ccccc2)C(C)C)sc1C(=O)[O-] ZINC000738358311 600522028 /nfs/dbraw/zinc/52/20/28/600522028.db2.gz AJZKOGYEIHONHQ-ZDUSSCGKSA-N -1 0 332.425 3.603 20 0 EHADRM COCc1cccc(NCc2cc(C)c(OCC(=O)[O-])c(C)c2)c1 ZINC000737834803 600523716 /nfs/dbraw/zinc/52/37/16/600523716.db2.gz KGKYPEVNXYIPPU-UHFFFAOYSA-N -1 0 329.396 3.525 20 0 EHADRM CCSc1cc(C(=O)N(CC)c2ccccc2C(=O)[O-])ccn1 ZINC000737231828 600523943 /nfs/dbraw/zinc/52/39/43/600523943.db2.gz VBEXNSFWOHVYRU-UHFFFAOYSA-N -1 0 330.409 3.559 20 0 EHADRM CCc1ccc(CCC(=O)N(CC)c2ccccc2C(=O)[O-])cc1 ZINC000737260705 600524013 /nfs/dbraw/zinc/52/40/13/600524013.db2.gz YLVOLDZXODZVCA-UHFFFAOYSA-N -1 0 325.408 3.933 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)NCc1ccc(C(=O)[O-])o1 ZINC000736562920 600530089 /nfs/dbraw/zinc/53/00/89/600530089.db2.gz PELMVLTWYVCNHL-CYBMUJFWSA-N -1 0 344.411 3.533 20 0 EHADRM CCN(C(=O)CCCOCc1ccccc1)c1ccccc1C(=O)[O-] ZINC000737052063 600532122 /nfs/dbraw/zinc/53/21/22/600532122.db2.gz FPXSJFNQNCHXSA-UHFFFAOYSA-N -1 0 341.407 3.735 20 0 EHADRM C[C@@H](CC(=O)N[C@H](C(=O)[O-])C(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC000675985749 600533561 /nfs/dbraw/zinc/53/35/61/600533561.db2.gz DZAQZVZDNMWPJX-IINYFYTJSA-N -1 0 345.361 3.815 20 0 EHADRM CCCN(CC(=O)[O-])Cn1ccc(-c2cc(Cl)ccc2Cl)n1 ZINC000737014326 600539254 /nfs/dbraw/zinc/53/92/54/600539254.db2.gz GORYDCHLISZRDH-UHFFFAOYSA-N -1 0 342.226 3.611 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)Nc2cccc(OC3CCCC3)c2)o1 ZINC000739439327 600541164 /nfs/dbraw/zinc/54/11/64/600541164.db2.gz QUZOYNDELNKCLQ-UHFFFAOYSA-N -1 0 344.367 3.621 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)Nc1cnn(C(C)C)c1 ZINC000736491146 600550884 /nfs/dbraw/zinc/55/08/84/600550884.db2.gz LQOLQCOLHULJEE-UHFFFAOYSA-N -1 0 346.387 3.593 20 0 EHADRM CC(C)[C@@H](C)C(=O)N(Cc1ccoc1C(=O)[O-])[C@@H](C)c1ccccn1 ZINC000736349508 600555015 /nfs/dbraw/zinc/55/50/15/600555015.db2.gz MZBMNDGINRFTMQ-KGLIPLIRSA-N -1 0 344.411 3.755 20 0 EHADRM O=C([O-])C1CCN(C(=O)Nc2ccc3nc(C4CC4)sc3c2)CC1 ZINC000263505958 600556892 /nfs/dbraw/zinc/55/68/92/600556892.db2.gz VOPHHTNSVDATMN-UHFFFAOYSA-N -1 0 345.424 3.502 20 0 EHADRM CN(C(=O)Nc1cccc(CSCCC(=O)[O-])c1)C1CCCC1 ZINC000737331221 600558645 /nfs/dbraw/zinc/55/86/45/600558645.db2.gz VNFFTOLQXWLCTE-UHFFFAOYSA-N -1 0 336.457 3.801 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000236766061 600559891 /nfs/dbraw/zinc/55/98/91/600559891.db2.gz IRBIUTHWVKHQFQ-UHFFFAOYSA-N -1 0 327.380 3.804 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)C(C)(C)c1cccs1 ZINC000737870707 600569832 /nfs/dbraw/zinc/56/98/32/600569832.db2.gz HESHKQKDOCAZLU-VQHVLOKHSA-N -1 0 346.404 3.738 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000739337668 600571110 /nfs/dbraw/zinc/57/11/10/600571110.db2.gz BSKHUEPOLYAAKM-UHFFFAOYSA-N -1 0 346.745 3.840 20 0 EHADRM CCS[C@@H](C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1)C(C)C ZINC000737228489 600571607 /nfs/dbraw/zinc/57/16/07/600571607.db2.gz AIOGWBUPRAUHOT-QWHCGFSZSA-N -1 0 330.833 3.787 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OC(=O)C[C@@H]1OCCc2ccccc21 ZINC000739226871 600571620 /nfs/dbraw/zinc/57/16/20/600571620.db2.gz WENMDNKDDBREIS-INIZCTEOSA-N -1 0 346.766 3.648 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)C[C@H]2OCCc3ccccc32)ccc1F ZINC000740007252 600572495 /nfs/dbraw/zinc/57/24/95/600572495.db2.gz VHBSSZUGOPWOIH-MRXNPFEDSA-N -1 0 344.342 3.558 20 0 EHADRM CC(C)COc1ccccc1CNC(=O)c1ccccc1NC(=O)[O-] ZINC000736448802 600573355 /nfs/dbraw/zinc/57/33/55/600573355.db2.gz SBPBNBYMGWQPTC-UHFFFAOYSA-N -1 0 342.395 3.741 20 0 EHADRM C[C@@H]1C[C@H](CC(=O)NCc2cccc(OCC(=O)[O-])c2)CC(C)(C)C1 ZINC000237583849 600574466 /nfs/dbraw/zinc/57/44/66/600574466.db2.gz DXJLJYQAGFOFGT-GDBMZVCRSA-N -1 0 347.455 3.619 20 0 EHADRM Cc1ccccc1C(C)(C)CNC(=O)c1ccccc1NC(=O)[O-] ZINC000738757238 600576616 /nfs/dbraw/zinc/57/66/16/600576616.db2.gz YBQYNKTXYHRROW-UHFFFAOYSA-N -1 0 326.396 3.793 20 0 EHADRM Cc1c(Cl)cccc1OCC(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000738290397 600587652 /nfs/dbraw/zinc/58/76/52/600587652.db2.gz AZHRXWGOBIQXTG-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM Cc1cccc(Cl)c1OC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000738722717 600589426 /nfs/dbraw/zinc/58/94/26/600589426.db2.gz XRFQICZKYKGREW-UHFFFAOYSA-N -1 0 343.766 3.907 20 0 EHADRM Cc1ccc2c(CC(=O)N(C)[C@H](C(=O)[O-])c3ccccc3)coc2c1 ZINC000738667560 600591115 /nfs/dbraw/zinc/59/11/15/600591115.db2.gz MUDIAPCFXRZSMS-IBGZPJMESA-N -1 0 337.375 3.568 20 0 EHADRM CC(C)c1ccc(CN(C(=O)CSC[C@H](C)C(=O)[O-])C2CC2)cc1 ZINC000736613507 600595345 /nfs/dbraw/zinc/59/53/45/600595345.db2.gz ADMYFOGGQVKAEC-AWEZNQCLSA-N -1 0 349.496 3.755 20 0 EHADRM O=C(/C=C\c1ccco1)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000739214105 600599968 /nfs/dbraw/zinc/59/99/68/600599968.db2.gz CINDBKXTWNPDOQ-QXPKXGMISA-N -1 0 349.386 3.506 20 0 EHADRM CN(C(=O)/C=C\c1ccccc1Cl)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737313210 600600572 /nfs/dbraw/zinc/60/05/72/600600572.db2.gz IQFOVFGXUKQJEL-WFTPILKQSA-N -1 0 329.783 3.638 20 0 EHADRM Cc1ccc(CCCCC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000738589208 600600705 /nfs/dbraw/zinc/60/07/05/600600705.db2.gz KMYYWISVLXRRMV-FQEVSTJZSA-N -1 0 339.435 3.992 20 0 EHADRM C[C@H](CSCc1nc(-c2ccc(C(F)(F)F)cc2)no1)C(=O)[O-] ZINC000736616941 600603430 /nfs/dbraw/zinc/60/34/30/600603430.db2.gz DMJPBAACLCTRAY-MRVPVSSYSA-N -1 0 346.330 3.709 20 0 EHADRM Cc1cc(C(=O)CSC[C@@H](C)C(=O)[O-])c(C)n1Cc1ccccc1 ZINC000738320387 600604631 /nfs/dbraw/zinc/60/46/31/600604631.db2.gz SEUXUYXRTIRTFM-CYBMUJFWSA-N -1 0 345.464 3.790 20 0 EHADRM O=C(/C=C\c1ccco1)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000739216220 600605412 /nfs/dbraw/zinc/60/54/12/600605412.db2.gz PGFPLUAFCLUDRQ-LPADLIQXSA-N -1 0 349.386 3.506 20 0 EHADRM Cc1nc2ccccc2c(C)c1CC(=O)N(CC(=O)[O-])c1ccccc1 ZINC000156373790 600605503 /nfs/dbraw/zinc/60/55/03/600605503.db2.gz MBNSEDCQCHSGRB-UHFFFAOYSA-N -1 0 348.402 3.512 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N(CC(=O)[O-])c2ccccc2)c1 ZINC000314451998 600606294 /nfs/dbraw/zinc/60/62/94/600606294.db2.gz DLJNHROZZPCTGA-UHFFFAOYSA-N -1 0 335.812 3.793 20 0 EHADRM Cc1cc(C(=O)N(CC(=O)[O-])c2ccccc2)cc(C)c1OC(F)F ZINC000156266193 600606428 /nfs/dbraw/zinc/60/64/28/600606428.db2.gz YPIXKDKLMVRGDH-UHFFFAOYSA-N -1 0 349.333 3.636 20 0 EHADRM CCC[C@H](C)C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000236997739 600607349 /nfs/dbraw/zinc/60/73/49/600607349.db2.gz ZWZASIUVLSXQRK-KSSFIOAISA-N -1 0 327.424 3.636 20 0 EHADRM C[C@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1Cl ZINC000237616008 600608017 /nfs/dbraw/zinc/60/80/17/600608017.db2.gz COMNGJAKCMWVII-NSHDSACASA-N -1 0 349.789 3.987 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N(C)C(C3CC3)C3CC3)c12 ZINC000738859912 600611082 /nfs/dbraw/zinc/61/10/82/600611082.db2.gz YRHAKKMVHUSBNE-UHFFFAOYSA-N -1 0 331.441 3.631 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)c2coc3ccccc23)cc1 ZINC000238024332 600618523 /nfs/dbraw/zinc/61/85/23/600618523.db2.gz RYMHMZQEPRYYPC-UHFFFAOYSA-N -1 0 339.347 3.929 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)CCOc2ccc(F)cc2)c1 ZINC000322582930 600619652 /nfs/dbraw/zinc/61/96/52/600619652.db2.gz HZSFXXHPGDBLDU-UHFFFAOYSA-N -1 0 337.734 3.585 20 0 EHADRM COc1cc(NCc2ccc3c(c2)CCC3)c(C(=O)[O-])cc1OC ZINC000737899422 600626620 /nfs/dbraw/zinc/62/66/20/600626620.db2.gz MTBMDCBRPACAIS-UHFFFAOYSA-N -1 0 327.380 3.503 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1OC(=O)[C@@H]1COc2ccccc2C1 ZINC000740097569 600632941 /nfs/dbraw/zinc/63/29/41/600632941.db2.gz MCMMVLYJZZVNHT-INIZCTEOSA-N -1 0 348.354 3.695 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)[O-] ZINC000736243386 600646091 /nfs/dbraw/zinc/64/60/91/600646091.db2.gz DVBFBHVSKZADKA-MRXNPFEDSA-N -1 0 345.370 3.847 20 0 EHADRM CCN(C(=O)COc1cccc(Cl)c1C)c1ccccc1C(=O)[O-] ZINC000737059987 600647126 /nfs/dbraw/zinc/64/71/26/600647126.db2.gz DQTBKYOWEXRLRT-UHFFFAOYSA-N -1 0 347.798 3.779 20 0 EHADRM C[C@@H]1CCC[C@H](CCNC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000391575496 600647609 /nfs/dbraw/zinc/64/76/09/600647609.db2.gz PGXMDLWWZLPZKR-HUUCEWRRSA-N -1 0 332.444 3.743 20 0 EHADRM CCc1ccc(CCOC(=O)c2ccccc2N(C)C(=O)[O-])cc1 ZINC000737263968 600648830 /nfs/dbraw/zinc/64/88/30/600648830.db2.gz CGVCRHGQOKGGKQ-UHFFFAOYSA-N -1 0 327.380 3.763 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN(C(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000736740929 600652733 /nfs/dbraw/zinc/65/27/33/600652733.db2.gz HOCBQKZWCMIQJW-HXUWFJFHSA-N -1 0 338.407 3.970 20 0 EHADRM CSc1ccc(O[C@H](C)C(=O)Nc2ccsc2C(=O)[O-])cc1 ZINC000738211021 600660270 /nfs/dbraw/zinc/66/02/70/600660270.db2.gz FNPJSQCDEJWFEM-SECBINFHSA-N -1 0 337.422 3.574 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccc(Oc3ccncc3)cc2)C1 ZINC000191579247 600662209 /nfs/dbraw/zinc/66/22/09/600662209.db2.gz XLVSLNDQPUBZHY-ZIAGYGMSSA-N -1 0 340.379 3.703 20 0 EHADRM CCCn1ccc2cc(NC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)ccc21 ZINC000179983365 600663041 /nfs/dbraw/zinc/66/30/41/600663041.db2.gz ANRUIMVYQIRDOZ-LSDHHAIUSA-N -1 0 328.412 3.881 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000827581596 600666281 /nfs/dbraw/zinc/66/62/81/600666281.db2.gz PKUSSDHEUOBHOZ-BLLLJJGKSA-N -1 0 348.395 3.923 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cc(Cl)cc2cccnc21)c1ccccc1 ZINC000833350409 600669782 /nfs/dbraw/zinc/66/97/82/600669782.db2.gz LHWJUYNEBKPTFJ-INIZCTEOSA-N -1 0 341.750 3.871 20 0 EHADRM CCC(=CC(=O)OCC(=O)c1cc(C(=O)[O-])co1)c1ccc(C)cc1 ZINC000828549623 600685402 /nfs/dbraw/zinc/68/54/02/600685402.db2.gz NDLFGISLQKDZBA-UKTHLTGXSA-N -1 0 342.347 3.506 20 0 EHADRM CC[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1cc(F)ccc1F ZINC000236894920 600691137 /nfs/dbraw/zinc/69/11/37/600691137.db2.gz RDXLTYOZDUIKEE-QGZVFWFLSA-N -1 0 347.361 3.863 20 0 EHADRM CC[C@@H]1CCC[C@@H](NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])C1 ZINC000262041315 600691556 /nfs/dbraw/zinc/69/15/56/600691556.db2.gz AINKFSXXQYNBDF-MGPQQGTHSA-N -1 0 335.469 3.950 20 0 EHADRM Cc1cc(S(=O)(=O)Oc2cccc(C(C)C)c2)ccc1C(=O)[O-] ZINC000832905021 600692304 /nfs/dbraw/zinc/69/23/04/600692304.db2.gz NFFFPIVTPLKWMW-UHFFFAOYSA-N -1 0 334.393 3.584 20 0 EHADRM O=C([O-])c1cccc(-c2noc(-c3ccc(Cl)cc3[N+](=O)[O-])n2)c1 ZINC000324695975 600698721 /nfs/dbraw/zinc/69/87/21/600698721.db2.gz VWDNEJYCMVILKO-UHFFFAOYSA-N -1 0 345.698 3.663 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000827586624 600698847 /nfs/dbraw/zinc/69/88/47/600698847.db2.gz QBQVJBVLXGWPGP-NSHDSACASA-N -1 0 326.327 3.920 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000262977961 600699964 /nfs/dbraw/zinc/69/99/64/600699964.db2.gz KNVQXLHVJJGZIV-KOLCDFICSA-N -1 0 345.226 3.561 20 0 EHADRM O=C([O-])c1ccc2oc(C(=O)c3cnn(-c4ccccc4)c3)cc2c1 ZINC000833326802 600701765 /nfs/dbraw/zinc/70/17/65/600701765.db2.gz UURYCYCAZNODRQ-UHFFFAOYSA-N -1 0 332.315 3.548 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC000827428047 600721745 /nfs/dbraw/zinc/72/17/45/600721745.db2.gz QLSDMHLMYVGFPH-GUYCJALGSA-N -1 0 330.355 3.764 20 0 EHADRM O=C([O-])c1occc1[C@H]1Nc2ccc(Cl)cc2C(=O)N1CC1CC1 ZINC000740282360 600729175 /nfs/dbraw/zinc/72/91/75/600729175.db2.gz VAAIINRKVMCREY-HNNXBMFYSA-N -1 0 346.770 3.608 20 0 EHADRM C[C@H](CCc1ccccc1)OC(=O)c1ccc(NC(=O)[O-])c(O)c1 ZINC000827428618 600732227 /nfs/dbraw/zinc/73/22/27/600732227.db2.gz ZEHYCXRTJKEEKQ-GFCCVEGCSA-N -1 0 329.352 3.660 20 0 EHADRM C[C@H](OC(=O)c1ccc(NC(=O)[O-])c(O)c1)c1ccc(F)c(F)c1 ZINC000827862189 600733469 /nfs/dbraw/zinc/73/34/69/600733469.db2.gz XGYBBHLNZWIJBT-QMMMGPOBSA-N -1 0 337.278 3.678 20 0 EHADRM C[C@@H](Nc1ccc(OCC(=O)[O-])cc1)c1ncc(-c2ccccc2)o1 ZINC000827773493 600738182 /nfs/dbraw/zinc/73/81/82/600738182.db2.gz OAWKMDQYIHHTGC-CYBMUJFWSA-N -1 0 338.363 3.978 20 0 EHADRM CCO[C@H]1CCCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000652394860 600742628 /nfs/dbraw/zinc/74/26/28/600742628.db2.gz KJBFMTUVMDFYLI-SMDDNHRTSA-N -1 0 332.227 3.620 20 0 EHADRM C[C@@H](N[C@H](C(=O)[O-])c1ccccc1F)c1nc2ccccc2s1 ZINC000827718275 600750304 /nfs/dbraw/zinc/75/03/04/600750304.db2.gz PWKWFZRBEXJWMI-BMIGLBTASA-N -1 0 330.384 3.912 20 0 EHADRM CCC[C@@]1(C)CCCN(C(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000829238254 600751714 /nfs/dbraw/zinc/75/17/14/600751714.db2.gz PCETXSDGTZHVLS-IBGZPJMESA-N -1 0 347.459 3.931 20 0 EHADRM CCC[C@@H]1[C@@H](C)CCCN1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000829245550 600752248 /nfs/dbraw/zinc/75/22/48/600752248.db2.gz JYCZCVYXXFBGKJ-WMLDXEAASA-N -1 0 347.459 3.929 20 0 EHADRM Cc1cc(NC(=O)Cc2c[nH]c3c2cccc3C)sc1C(=O)[O-] ZINC000738237083 600767200 /nfs/dbraw/zinc/76/72/00/600767200.db2.gz APNUBKLLJNXRRR-UHFFFAOYSA-N -1 0 328.393 3.726 20 0 EHADRM C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1)c1cccs1 ZINC000776679066 600800966 /nfs/dbraw/zinc/80/09/66/600800966.db2.gz UAZJWUXASKYRED-GWCFXTLKSA-N -1 0 337.828 3.837 20 0 EHADRM Cc1cccc([C@H](C)CNC(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000738690383 600801486 /nfs/dbraw/zinc/80/14/86/600801486.db2.gz IUVNXYCWCJVRIP-CQSZACIVSA-N -1 0 326.396 3.927 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CCc2ccccc21)c1cccc(Cl)c1 ZINC000776673595 600801783 /nfs/dbraw/zinc/80/17/83/600801783.db2.gz NPJGTHKKRIGOEJ-SJORKVTESA-N -1 0 343.810 3.702 20 0 EHADRM Cc1cc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)ccc1F ZINC000776678780 600803062 /nfs/dbraw/zinc/80/30/62/600803062.db2.gz SEUFMKGEXNVWPS-OAHLLOKOSA-N -1 0 335.762 3.733 20 0 EHADRM O=C([O-])C[C@H](NC(=O)/C=C/c1ccccc1)c1cccc(Cl)c1 ZINC000776671396 600804783 /nfs/dbraw/zinc/80/47/83/600804783.db2.gz BMNHYHKSLUQVIX-SCOAYWHSSA-N -1 0 329.783 3.685 20 0 EHADRM NC(=NOCc1ccc(Cl)c(Cl)c1)c1cccc(C(=O)[O-])c1 ZINC000833078587 600807553 /nfs/dbraw/zinc/80/75/53/600807553.db2.gz QKIWXTHMOOBRET-UHFFFAOYSA-N -1 0 339.178 3.738 20 0 EHADRM C[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000776679839 600808478 /nfs/dbraw/zinc/80/84/78/600808478.db2.gz ZLBMKYYJPRGHQU-SUMWQHHRSA-N -1 0 345.826 3.851 20 0 EHADRM Cc1cccc([C@H](C)CNC(=O)Nc2ccc(CNC(=O)[O-])cc2)c1 ZINC000738692402 600810755 /nfs/dbraw/zinc/81/07/55/600810755.db2.gz QVZKVSJTCJXIAG-CQSZACIVSA-N -1 0 341.411 3.688 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cccc(C(=O)[O-])c2)[C@@H](c2ccco2)C1 ZINC000828278990 600813317 /nfs/dbraw/zinc/81/33/17/600813317.db2.gz UMWZSPFJAYNLFG-IUODEOHRSA-N -1 0 328.368 3.983 20 0 EHADRM CCc1c(Cl)nc(C)nc1NCCc1ccc(NC(=O)[O-])cc1 ZINC000830209393 600815325 /nfs/dbraw/zinc/81/53/25/600815325.db2.gz LDEYUZCGNYLKKK-UHFFFAOYSA-N -1 0 334.807 3.745 20 0 EHADRM Cc1cc(NC(=S)N[C@H]2CCOc3ccccc32)ccc1C(=O)[O-] ZINC000738452376 600819430 /nfs/dbraw/zinc/81/94/30/600819430.db2.gz MZOBHFAOGKDKOD-HNNXBMFYSA-N -1 0 342.420 3.503 20 0 EHADRM C[C@H]1CN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)CC(C)(C)O1 ZINC000584356539 600820834 /nfs/dbraw/zinc/82/08/34/600820834.db2.gz RHLRNTUOXFCBRB-LBPRGKRZSA-N -1 0 346.452 3.508 20 0 EHADRM C[C@H](C(=O)Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1)c1ccco1 ZINC000736220168 600823124 /nfs/dbraw/zinc/82/31/24/600823124.db2.gz YZNYJFIBOXWORF-JTQLQIEISA-N -1 0 342.376 3.844 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000120225398 600823410 /nfs/dbraw/zinc/82/34/10/600823410.db2.gz JMSQIVNRRVDWQU-STQMWFEESA-N -1 0 331.318 3.714 20 0 EHADRM O=C([O-])c1ccc(F)c(NCc2ncc(-c3ccccc3F)o2)c1 ZINC000833319259 600826373 /nfs/dbraw/zinc/82/63/73/600826373.db2.gz JPGIWENWHIQZFV-UHFFFAOYSA-N -1 0 330.290 3.930 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000675947720 600828333 /nfs/dbraw/zinc/82/83/33/600828333.db2.gz SCOAPRMNULWZJX-ZWKOTPCHSA-N -1 0 329.440 3.706 20 0 EHADRM O=C([O-])NCc1ccc(NCc2ncc(-c3cccs3)o2)cc1 ZINC000833281031 600829000 /nfs/dbraw/zinc/82/90/00/600829000.db2.gz UCHKLYMUBAWUDA-UHFFFAOYSA-N -1 0 329.381 3.783 20 0 EHADRM C[C@H]1SCCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)[C@H]1C ZINC000567510129 600831638 /nfs/dbraw/zinc/83/16/38/600831638.db2.gz WDTBMGOTWGQXFV-NWDGAFQWSA-N -1 0 348.493 3.834 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000738541449 600832906 /nfs/dbraw/zinc/83/29/06/600832906.db2.gz SQYWWBFKOPWDAI-TZMCWYRMSA-N -1 0 332.302 3.681 20 0 EHADRM CC(C)CNc1nnc(S[C@H](C(=O)[O-])c2ccccc2F)s1 ZINC000826890898 600834603 /nfs/dbraw/zinc/83/46/03/600834603.db2.gz DRDYGDGQJHRFCJ-NSHDSACASA-N -1 0 341.433 3.663 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2CCC[C@@H](C)C2)cc1 ZINC000237359461 600838898 /nfs/dbraw/zinc/83/88/98/600838898.db2.gz OLAWVMSZBVPFJX-XPKDYRNWSA-N -1 0 335.469 3.867 20 0 EHADRM Cc1cc(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)ccc1C(=O)[O-] ZINC000237822043 600838979 /nfs/dbraw/zinc/83/89/79/600838979.db2.gz MVZOYJMQLBNBMW-ZFWWWQNUSA-N -1 0 331.318 3.714 20 0 EHADRM C[C@@H](C(=O)Nc1cccc(CSCCC(=O)[O-])c1)c1ccco1 ZINC000736217675 600839006 /nfs/dbraw/zinc/83/90/06/600839006.db2.gz DEDXVXMQNGUHGW-GFCCVEGCSA-N -1 0 333.409 3.730 20 0 EHADRM Cc1ccc(CCN(Cc2cc(C(=O)[O-])co2)CC(F)(F)F)cc1 ZINC000832930128 600840204 /nfs/dbraw/zinc/84/02/04/600840204.db2.gz IYLXVCQMEYORCD-UHFFFAOYSA-N -1 0 341.329 3.893 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(F)c(Br)c2)cc1 ZINC000224719027 600845577 /nfs/dbraw/zinc/84/55/77/600845577.db2.gz KUVAIBSLRJKLED-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000736622647 600846491 /nfs/dbraw/zinc/84/64/91/600846491.db2.gz SWLYHXBPMOURKR-UKRRQHHQSA-N -1 0 341.382 3.609 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)c2ccccc21 ZINC000739641030 600854660 /nfs/dbraw/zinc/85/46/60/600854660.db2.gz IDUPEUKJRDGWOH-OIISXLGYSA-N -1 0 327.424 3.808 20 0 EHADRM Cc1c(NC(=O)[C@@H]2SCCc3ccccc32)cccc1C(=O)[O-] ZINC000675967334 600856413 /nfs/dbraw/zinc/85/64/13/600856413.db2.gz ZHRHISQGAZBJQD-MRXNPFEDSA-N -1 0 327.405 3.662 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)c2c(F)cccc2Cl)c2ccccc21 ZINC000321281415 600858898 /nfs/dbraw/zinc/85/88/98/600858898.db2.gz DBDHDFTVRJECQU-JTQLQIEISA-N -1 0 333.746 3.698 20 0 EHADRM Cc1ccc2cccc(C(=O)N3C[C@@H](CC(=O)[O-])c4ccccc43)c2n1 ZINC000738674832 600862192 /nfs/dbraw/zinc/86/21/92/600862192.db2.gz BNZMXAMYBWFKOX-OAHLLOKOSA-N -1 0 346.386 3.762 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)Cc2c(F)cccc2Cl)c2ccccc21 ZINC000325334710 600862900 /nfs/dbraw/zinc/86/29/00/600862900.db2.gz IHVYDMZZILZDFG-LLVKDONJSA-N -1 0 347.773 3.627 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)CSc2ccc(F)cc2)c2ccccc21 ZINC000325324979 600862928 /nfs/dbraw/zinc/86/29/28/600862928.db2.gz FEPPUSJBYFAVQR-GFCCVEGCSA-N -1 0 345.395 3.523 20 0 EHADRM Cc1nc(-c2cccc(C(=O)N(CCC(=O)[O-])CC(C)C)c2)cs1 ZINC000236757523 600864529 /nfs/dbraw/zinc/86/45/29/600864529.db2.gz PNDQGGNKUWSQNN-UHFFFAOYSA-N -1 0 346.452 3.691 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2C(=O)CCc2ccc(C(=O)[O-])cc2)o1 ZINC000630288997 600865488 /nfs/dbraw/zinc/86/54/88/600865488.db2.gz LRZKOTPDRQMPRD-KRWDZBQOSA-N -1 0 341.407 3.973 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000183953674 600868925 /nfs/dbraw/zinc/86/89/25/600868925.db2.gz OQCATLAZMGJTAH-ZJUUUORDSA-N -1 0 329.368 3.831 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2nc(-c3ccccc3)cs2)C1 ZINC000206409594 600872027 /nfs/dbraw/zinc/87/20/27/600872027.db2.gz DHKMQISUNGYSBS-STQMWFEESA-N -1 0 330.409 3.640 20 0 EHADRM COc1ccc2ccc(OC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)cc2c1 ZINC000832504183 600873427 /nfs/dbraw/zinc/87/34/27/600873427.db2.gz FYKSHOZYOSPXTF-KGLIPLIRSA-N -1 0 328.364 3.645 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(F)c(C(=O)[O-])c1)C(=O)c1cccc(F)c1 ZINC000827235498 600876205 /nfs/dbraw/zinc/87/62/05/600876205.db2.gz XTOGLNBPOFPWKZ-SNVBAGLBSA-N -1 0 347.317 3.511 20 0 EHADRM CC(C)c1ccc(NC(=O)CCCOc2cccnc2)c(C(=O)[O-])c1 ZINC000827123718 600876963 /nfs/dbraw/zinc/87/69/63/600876963.db2.gz AIYDBBPXEFSPNT-UHFFFAOYSA-N -1 0 342.395 3.701 20 0 EHADRM CC(C)c1ccc(NC(=O)Cc2cc(F)ccc2F)c(C(=O)[O-])c1 ZINC000827124920 600877007 /nfs/dbraw/zinc/87/70/07/600877007.db2.gz UERGMOGTEQTANJ-UHFFFAOYSA-N -1 0 333.334 3.968 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccc(Cl)c3ncccc23)C1 ZINC000323967593 600878630 /nfs/dbraw/zinc/87/86/30/600878630.db2.gz VJYRUCUAPUASDI-GHMZBOCLSA-N -1 0 332.787 3.718 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)CCCC1CCCC1)Cc1cccc(F)c1 ZINC000486172021 600878786 /nfs/dbraw/zinc/87/87/86/600878786.db2.gz BINKTBIAJOZFRL-MRXNPFEDSA-N -1 0 335.419 3.546 20 0 EHADRM C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c2ccccc2S1 ZINC000828279262 600878904 /nfs/dbraw/zinc/87/89/04/600878904.db2.gz VQFWIHHQIHQREX-MGPQQGTHSA-N -1 0 333.453 3.795 20 0 EHADRM COc1ccc(Cl)cc1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000325176093 600882283 /nfs/dbraw/zinc/88/22/83/600882283.db2.gz AGKASNFLIMMAOP-UHFFFAOYSA-N -1 0 347.798 3.963 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000192935629 600883479 /nfs/dbraw/zinc/88/34/79/600883479.db2.gz XLTZJFYVBYVVEQ-GUYCJALGSA-N -1 0 341.382 3.609 20 0 EHADRM CC(C)C[C@H](CNC(=O)C1CCC(c2ccccc2)CC1)C(=O)[O-] ZINC000486283591 600895187 /nfs/dbraw/zinc/89/51/87/600895187.db2.gz MHEJKCBUHNNTDL-DAWZGUTISA-N -1 0 331.456 3.824 20 0 EHADRM CN(CCCC(=O)Nc1ccc2nc(C(C)(C)C)sc2c1)C(=O)[O-] ZINC000830763233 600901358 /nfs/dbraw/zinc/90/13/58/600901358.db2.gz HRTAWRVZYCXPGA-UHFFFAOYSA-N -1 0 349.456 3.922 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)c2c[nH]cc2-c2ccccc2)c2ccccc21 ZINC000739647019 600909767 /nfs/dbraw/zinc/90/97/67/600909767.db2.gz SGTLEMMYXMEVIB-HNNXBMFYSA-N -1 0 346.386 3.900 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)C1 ZINC000262512776 600909909 /nfs/dbraw/zinc/90/99/09/600909909.db2.gz BUUUEQXDBHTVPD-XWTMOSNGSA-N -1 0 329.440 3.720 20 0 EHADRM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(C(=O)[O-])s2)s1 ZINC000737282106 600912747 /nfs/dbraw/zinc/91/27/47/600912747.db2.gz TWOIDFACYGJVFW-SECBINFHSA-N -1 0 338.454 3.607 20 0 EHADRM COc1ccc(N(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)[C@@H](C)C2CC2)cc1 ZINC000245707385 600918062 /nfs/dbraw/zinc/91/80/62/600918062.db2.gz MRAFVUVASRHQLQ-NUEKZKHPSA-N -1 0 345.439 3.718 20 0 EHADRM CC(C)C[C@@H](CNC(=O)c1sccc1SC(F)F)C(=O)[O-] ZINC000736409370 600918160 /nfs/dbraw/zinc/91/81/60/600918160.db2.gz FKBAPKRHASJRNY-QMMMGPOBSA-N -1 0 337.413 3.540 20 0 EHADRM CC(C)C[C@@H](CNC(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2)C(=O)[O-] ZINC000391787759 600920118 /nfs/dbraw/zinc/92/01/18/600920118.db2.gz IGRCLCZNZCKAAC-JJYOYSIOSA-N -1 0 335.488 3.846 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1cc(F)c(Cl)cc1Cl)C(=O)[O-] ZINC000094701976 600923123 /nfs/dbraw/zinc/92/31/23/600923123.db2.gz CKRGMTMLIIZRLF-MRVPVSSYSA-N -1 0 336.190 3.609 20 0 EHADRM CCC(CC)(NC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)[O-] ZINC000342577856 600923629 /nfs/dbraw/zinc/92/36/29/600923629.db2.gz VWDMVEHLCXRURR-UHFFFAOYSA-N -1 0 345.420 3.681 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)C2C(C)(C)C2(C)C)cc1 ZINC000237343995 600928185 /nfs/dbraw/zinc/92/81/85/600928185.db2.gz XUZPBRJYAAVYSC-CYBMUJFWSA-N -1 0 335.469 3.723 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(-c3ccccc3)ns2)c(F)c1 ZINC000479417286 600932076 /nfs/dbraw/zinc/93/20/76/600932076.db2.gz ZMCZJOFVFVZICB-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC000829009980 600938761 /nfs/dbraw/zinc/93/87/61/600938761.db2.gz XMVBIPAUMUSMBC-COXVUDFISA-N -1 0 334.412 3.593 20 0 EHADRM CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000826687861 600938953 /nfs/dbraw/zinc/93/89/53/600938953.db2.gz QHRHCXAJRXRVMD-SFHVURJKSA-N -1 0 343.398 3.863 20 0 EHADRM O=C([O-])CCN(C(=O)[C@H]1C[C@H]1c1ccc(F)cc1)c1cccc(F)c1 ZINC000739710724 600939724 /nfs/dbraw/zinc/93/97/24/600939724.db2.gz HOPOAXSNWLYBIM-IRXDYDNUSA-N -1 0 345.345 3.576 20 0 EHADRM O=C([O-])CCN(C(=O)c1ccc(Cl)s1)c1cccc(F)c1 ZINC000739710700 600940628 /nfs/dbraw/zinc/94/06/28/600940628.db2.gz HAXRDIKEUPGHIV-UHFFFAOYSA-N -1 0 327.764 3.662 20 0 EHADRM O=C([O-])c1ccc(OC(=O)COc2cc(Cl)cc(Cl)c2)cc1 ZINC000833114329 600940799 /nfs/dbraw/zinc/94/07/99/600940799.db2.gz KGHPUXSXLRNJAD-UHFFFAOYSA-N -1 0 341.146 3.676 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1ccc(C(=O)[O-])cc1)c1nc(C)cs1 ZINC000736861513 600941281 /nfs/dbraw/zinc/94/12/81/600941281.db2.gz MZZYVWQHBCJGGU-MRXNPFEDSA-N -1 0 333.413 3.597 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N(Cc2cscn2)c2ccccc2)C1 ZINC000833186556 600943212 /nfs/dbraw/zinc/94/32/12/600943212.db2.gz SIPGNULNBBJEOI-UONOGXRCSA-N -1 0 344.436 3.567 20 0 EHADRM CC1(C)C(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1(C)C ZINC000828046281 600946013 /nfs/dbraw/zinc/94/60/13/600946013.db2.gz UUIDZTSUKGFHFB-UHFFFAOYSA-N -1 0 327.327 3.607 20 0 EHADRM CC(C)c1ccc(CCCNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000498614987 600957738 /nfs/dbraw/zinc/95/77/38/600957738.db2.gz HSOXLAHUVKCQAG-QZTJIDSGSA-N -1 0 331.456 3.750 20 0 EHADRM Cc1c(Br)cccc1C(=O)Nc1ccsc1C(=O)[O-] ZINC000088440192 600965326 /nfs/dbraw/zinc/96/53/26/600965326.db2.gz BAGOVCWWYXIAPB-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM C[C@H]1CC[C@H](CCC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)O1 ZINC000828221089 600966865 /nfs/dbraw/zinc/96/68/65/600966865.db2.gz HMVVXSYKCOFDRV-WDEREUQCSA-N -1 0 337.441 3.611 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)[C@H]3CCCS3)ccc2n1C1CC1 ZINC000832851499 600967226 /nfs/dbraw/zinc/96/72/26/600967226.db2.gz RRUGNGKUNQBYHZ-OAHLLOKOSA-N -1 0 345.420 3.784 20 0 EHADRM Cc1nc(-c2cccc(C(=O)Nc3ncc(C(=O)[O-])s3)c2)cs1 ZINC000832991904 600967321 /nfs/dbraw/zinc/96/73/21/600967321.db2.gz WBTYKEDMYSMOPP-UHFFFAOYSA-N -1 0 345.405 3.526 20 0 EHADRM C[C@]1(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CCc2ccccc2C1 ZINC000827975726 600969629 /nfs/dbraw/zinc/96/96/29/600969629.db2.gz CSEGRRBAIPJMFQ-IBGZPJMESA-N -1 0 345.345 3.797 20 0 EHADRM CC(=O)c1ccccc1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000825963878 600970415 /nfs/dbraw/zinc/97/04/15/600970415.db2.gz HLDDLYOUDPTBJA-UHFFFAOYSA-N -1 0 325.364 3.504 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000833338892 600971181 /nfs/dbraw/zinc/97/11/81/600971181.db2.gz PZYWYIBFINCXST-KDOFPFPSSA-N -1 0 327.405 3.679 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000833293644 600972832 /nfs/dbraw/zinc/97/28/32/600972832.db2.gz BPISYCKJOVMQHT-VLIAUNLRSA-N -1 0 339.366 3.757 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000249609038 600973368 /nfs/dbraw/zinc/97/33/68/600973368.db2.gz RUVNEYSACDJYER-UMPJEAMMSA-N -1 0 333.403 3.626 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CC[C@@H](CSc3ccccc3)C2)C1 ZINC000245700219 600975299 /nfs/dbraw/zinc/97/52/99/600975299.db2.gz LOIJUUXDGQITOU-BZUAXINKSA-N -1 0 347.480 3.518 20 0 EHADRM CC(C)c1ccc(C(=O)[C@H](C)OC(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000736691327 600980854 /nfs/dbraw/zinc/98/08/54/600980854.db2.gz QWSUTAXKWVFAKX-ZDUSSCGKSA-N -1 0 340.375 3.936 20 0 EHADRM COC(=O)c1cccc(-c2nc(-c3cc(C(=O)[O-])co3)cs2)c1 ZINC000831448686 600993646 /nfs/dbraw/zinc/99/36/46/600993646.db2.gz FJUXIZYYMPNMOI-UHFFFAOYSA-N -1 0 329.333 3.555 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Nc2c(F)cccc2F)cc1 ZINC000325308945 600995456 /nfs/dbraw/zinc/99/54/56/600995456.db2.gz YEUPFFVNXYXEOL-UHFFFAOYSA-N -1 0 334.322 3.971 20 0 EHADRM CCc1cnc(CN(C)[C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)o1 ZINC000830290684 600996107 /nfs/dbraw/zinc/99/61/07/600996107.db2.gz WABWBVDLIHGHFT-AWEZNQCLSA-N -1 0 343.210 3.802 20 0 EHADRM CC(C)c1cccc(NC(=O)NC[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000324950321 600997829 /nfs/dbraw/zinc/99/78/29/600997829.db2.gz GSIUIOOCUSPAIS-KRWDZBQOSA-N -1 0 326.396 3.800 20 0 EHADRM CCO[C@@H](CCNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)C(C)C ZINC000829918378 600997911 /nfs/dbraw/zinc/99/79/11/600997911.db2.gz PGQJTWIFGHYMPM-AWEZNQCLSA-N -1 0 342.823 3.611 20 0 EHADRM Cn1c(C(=O)Nc2cc(C(=O)[O-])ccc2F)ccc1-c1ccccc1 ZINC000237724305 601000281 /nfs/dbraw/zinc/00/02/81/601000281.db2.gz RQDOXZUUSUORKD-UHFFFAOYSA-N -1 0 338.338 3.782 20 0 EHADRM Cc1ccc(Br)cc1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000087741830 601000428 /nfs/dbraw/zinc/00/04/28/601000428.db2.gz VANQETIFFGNEGI-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccc(Cl)c2ncccc12)C(=O)[O-] ZINC000826775147 601002578 /nfs/dbraw/zinc/00/25/78/601002578.db2.gz HTDQRPZZHJAWQF-LLVKDONJSA-N -1 0 349.818 3.757 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2CCSc3ccccc32)c(C(=O)[O-])c1 ZINC000738615915 601004316 /nfs/dbraw/zinc/00/43/16/601004316.db2.gz MDUPNDWKERGGLO-CYBMUJFWSA-N -1 0 327.405 3.911 20 0 EHADRM CC[C@@](C)(NC(=O)C[C@@H](Cc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000362342220 601006428 /nfs/dbraw/zinc/00/64/28/601006428.db2.gz ZXQLDVJJBASRQG-WIYYLYMNSA-N -1 0 339.435 3.773 20 0 EHADRM Cc1cnc([C@H](NC(=O)Nc2cc(C(=O)[O-])ccc2F)C2CC2)s1 ZINC000832985612 601010864 /nfs/dbraw/zinc/01/08/64/601010864.db2.gz JFCZMWQTAIOWDA-CYBMUJFWSA-N -1 0 349.387 3.562 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)N2CC[C@H](Cc3ccccc3)C2)c1 ZINC000833319560 601012113 /nfs/dbraw/zinc/01/21/13/601012113.db2.gz NPNWGWXUYFVRQS-CQSZACIVSA-N -1 0 342.370 3.620 20 0 EHADRM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000828123477 601014126 /nfs/dbraw/zinc/01/41/26/601014126.db2.gz VMQCDCUNGJWITB-MAUKXSAKSA-N -1 0 344.798 3.890 20 0 EHADRM CC(C)COc1cccc(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000826905101 601021704 /nfs/dbraw/zinc/02/17/04/601021704.db2.gz BISGPNYKJPSSNO-CQSZACIVSA-N -1 0 336.432 3.590 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC000736902661 601025072 /nfs/dbraw/zinc/02/50/72/601025072.db2.gz AVOOMLLZEYSLSH-MRXNPFEDSA-N -1 0 343.398 3.902 20 0 EHADRM COCCC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000737755307 601033810 /nfs/dbraw/zinc/03/38/10/601033810.db2.gz ZYBJJYIWQFAQTO-UHFFFAOYSA-N -1 0 349.770 3.806 20 0 EHADRM CSCc1ccc(NC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000832770973 601037991 /nfs/dbraw/zinc/03/79/91/601037991.db2.gz RGXYZFLUHZYNNC-MRXNPFEDSA-N -1 0 344.436 3.540 20 0 EHADRM O=C([O-])c1cnc(N(C(=O)/C=C\c2ccc(Cl)cc2)C2CC2)s1 ZINC000740253937 601038785 /nfs/dbraw/zinc/03/87/85/601038785.db2.gz NDAWHQKZVVARAI-BAQGIRSFSA-N -1 0 348.811 3.704 20 0 EHADRM CN(Cc1ccc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1)C(=O)[O-] ZINC000830835612 601051723 /nfs/dbraw/zinc/05/17/23/601051723.db2.gz IAXFOBJGXHIZRM-ZMSDIMECSA-N -1 0 345.443 3.887 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2cc(Oc3ccccc3)ccn2)cc1 ZINC000238130510 601058076 /nfs/dbraw/zinc/05/80/76/601058076.db2.gz GZSNMVLTQUNHQF-UHFFFAOYSA-N -1 0 348.358 3.502 20 0 EHADRM Cc1ccc(NC(=O)[C@@H](C)CCOc2ccccc2)c(C(=O)[O-])c1 ZINC000541588131 601066742 /nfs/dbraw/zinc/06/67/42/601066742.db2.gz RKZJRSMECXCUOY-AWEZNQCLSA-N -1 0 327.380 3.737 20 0 EHADRM CC(C)C1CCN(C(=O)c2ccccc2S[C@@H](C)C(=O)[O-])CC1 ZINC000236590416 601067210 /nfs/dbraw/zinc/06/72/10/601067210.db2.gz QVPVWNCYFLWMEC-ZDUSSCGKSA-N -1 0 335.469 3.760 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC000540703573 601067814 /nfs/dbraw/zinc/06/78/14/601067814.db2.gz IKPWKPOKPFFNKK-ZIAGYGMSSA-N -1 0 331.318 3.714 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccc(CC(F)(F)F)cc1)C(=O)[O-] ZINC000826775281 601073445 /nfs/dbraw/zinc/07/34/45/601073445.db2.gz WLPISEVZSBSTHR-GFCCVEGCSA-N -1 0 346.349 3.660 20 0 EHADRM CCS[C@H](C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1)C(C)C ZINC000830150436 601078315 /nfs/dbraw/zinc/07/83/15/601078315.db2.gz ONQLFTKHJCEAOO-VIFPVBQESA-N -1 0 344.502 3.855 20 0 EHADRM Cc1ccc(C(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cc1F ZINC000832912097 601085421 /nfs/dbraw/zinc/08/54/21/601085421.db2.gz HKXDYNWZRLYZHC-NVXWUHKLSA-N -1 0 333.403 3.630 20 0 EHADRM CCc1ccsc1C(=O)N1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000830282448 601088161 /nfs/dbraw/zinc/08/81/61/601088161.db2.gz WNTRTZUZFGKEHI-HUUCEWRRSA-N -1 0 335.469 3.806 20 0 EHADRM CN(Cc1ccccc1F)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000327530675 601088444 /nfs/dbraw/zinc/08/84/44/601088444.db2.gz JQHKIRDWDKKJFL-UHFFFAOYSA-N -1 0 344.386 3.852 20 0 EHADRM O=C([O-])CC1CCN(C(=O)Nc2ccccc2CC(F)(F)F)CC1 ZINC000833213010 601098980 /nfs/dbraw/zinc/09/89/80/601098980.db2.gz IKBWTRPEIOBWTG-UHFFFAOYSA-N -1 0 344.333 3.510 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000827908147 601111832 /nfs/dbraw/zinc/11/18/32/601111832.db2.gz FPNRBLBFUYJNRY-BLLLJJGKSA-N -1 0 348.395 3.817 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccc(OCC2CC2)cc1)c1ccccc1F ZINC000833352676 601118415 /nfs/dbraw/zinc/11/84/15/601118415.db2.gz YQOJRWFENMPMAW-QGZVFWFLSA-N -1 0 344.338 3.597 20 0 EHADRM C[C@@H](CC(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1)C1CC1 ZINC000827391999 601121705 /nfs/dbraw/zinc/12/17/05/601121705.db2.gz QALLHSQTGZROBL-NSHDSACASA-N -1 0 345.420 3.988 20 0 EHADRM Cc1cc(Br)ccc1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000108654577 601125817 /nfs/dbraw/zinc/12/58/17/601125817.db2.gz PFKPVRUGJMBKIY-QWRGUYRKSA-N -1 0 340.217 3.587 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC000246037424 601125935 /nfs/dbraw/zinc/12/59/35/601125935.db2.gz WRMJHLDLNQVMCF-CYZMBNFOSA-N -1 0 343.345 3.774 20 0 EHADRM Cc1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)c(C(=O)[O-])c1 ZINC000832948372 601127449 /nfs/dbraw/zinc/12/74/49/601127449.db2.gz IWEOXIIOLZSEBA-UHFFFAOYSA-N -1 0 327.233 3.502 20 0 EHADRM Cc1cnc([C@@H](C)NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)s1 ZINC000326229038 601131917 /nfs/dbraw/zinc/13/19/17/601131917.db2.gz CBBFHGUQSBEJIT-LLVKDONJSA-N -1 0 347.440 3.696 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)C(c1ccccc1)c1ccccc1 ZINC000828618604 601133255 /nfs/dbraw/zinc/13/32/55/601133255.db2.gz WYEVVGGJRLLIOJ-FQEVSTJZSA-N -1 0 325.408 3.578 20 0 EHADRM Cc1ccc(NC(=O)N2CC[C@@H](c3cccc(F)c3)C2)cc1C(=O)[O-] ZINC000832946714 601139110 /nfs/dbraw/zinc/13/91/10/601139110.db2.gz ZPXWOGZMOGKOGI-CQSZACIVSA-N -1 0 342.370 3.854 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC000832848569 601144937 /nfs/dbraw/zinc/14/49/37/601144937.db2.gz HFEQWMUVHNHRID-UHFFFAOYSA-N -1 0 345.301 3.751 20 0 EHADRM O=C([O-])CN(C(=O)Cc1csc2ccccc12)c1cccc(F)c1 ZINC000833244567 601145259 /nfs/dbraw/zinc/14/52/59/601145259.db2.gz DQYAWOBQSNTFTK-UHFFFAOYSA-N -1 0 343.379 3.701 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC000832848649 601146660 /nfs/dbraw/zinc/14/66/60/601146660.db2.gz JTFLYRDQDLNWQQ-UHFFFAOYSA-N -1 0 345.301 3.751 20 0 EHADRM CC[C@@H](CNC(=O)c1cccc(NC(=O)[O-])c1)Oc1ccccc1F ZINC000828884278 601148370 /nfs/dbraw/zinc/14/83/70/601148370.db2.gz SNVFFDDJZVYQPA-AWEZNQCLSA-N -1 0 346.358 3.503 20 0 EHADRM CC[C@H](Oc1ccccc1Cl)C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC000829020631 601151125 /nfs/dbraw/zinc/15/11/25/601151125.db2.gz IVWOYUBMCCVMMB-HNNXBMFYSA-N -1 0 348.782 3.730 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1cc(C)c(F)cc1F ZINC000831978175 601152046 /nfs/dbraw/zinc/15/20/46/601152046.db2.gz YNEDOHVTOXHVKR-XQRVVYSFSA-N -1 0 348.301 3.599 20 0 EHADRM Cc1cc(C(=O)N(CCC(=O)[O-])c2cccc(F)c2)c(F)cc1F ZINC000832860342 601152708 /nfs/dbraw/zinc/15/27/08/601152708.db2.gz OKIWFYAFGUAUBJ-UHFFFAOYSA-N -1 0 337.297 3.534 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N2CCCc3c(Cl)ccc(F)c32)C1 ZINC000833183975 601155515 /nfs/dbraw/zinc/15/55/15/601155515.db2.gz BSPHUCNQIBPZGP-QWRGUYRKSA-N -1 0 339.794 3.649 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)[C@@H](C)c1ccccc1F)c1ccccc1 ZINC000237666618 601165444 /nfs/dbraw/zinc/16/54/44/601165444.db2.gz QAVPLDNJMZCWCV-OGHNNQOOSA-N -1 0 329.371 3.507 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N2CCSC3(CCCCC3)C2)cc1 ZINC000238063321 601167378 /nfs/dbraw/zinc/16/73/78/601167378.db2.gz ZBMYTEQTSAQAAS-UHFFFAOYSA-N -1 0 347.480 3.596 20 0 EHADRM Cc1ccc2nc(C3CC3)cc(C(=O)NCCCCCC(=O)[O-])c2c1 ZINC000237902735 601178078 /nfs/dbraw/zinc/17/80/78/601178078.db2.gz CUFMBUTXWXUZCF-UHFFFAOYSA-N -1 0 340.423 3.795 20 0 EHADRM Cc1cccc(OCCCCC(=O)NC2(CC(=O)[O-])CCCCC2)c1 ZINC000531743643 601184647 /nfs/dbraw/zinc/18/46/47/601184647.db2.gz ATCSGNRYKKWSKU-UHFFFAOYSA-N -1 0 347.455 3.838 20 0 EHADRM CCc1[nH]c(C(=O)N[C@@H](C)[C@H](C)c2ccccc2)c(C)c1C(=O)[O-] ZINC000830190499 601184817 /nfs/dbraw/zinc/18/48/17/601184817.db2.gz BAQSOUVFCQUZDR-AAEUAGOBSA-N -1 0 328.412 3.506 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Nc2ccc(OCC(F)F)cc2)cc1 ZINC000833156437 601191118 /nfs/dbraw/zinc/19/11/18/601191118.db2.gz LAPWQPVSZPUIAP-UHFFFAOYSA-N -1 0 336.294 3.673 20 0 EHADRM Cc1ccc(-c2cnc(COC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)o2)cc1 ZINC000832907216 601191288 /nfs/dbraw/zinc/19/12/88/601191288.db2.gz PAYNGPCYZHTFTA-HUUCEWRRSA-N -1 0 343.379 3.584 20 0 EHADRM Cc1noc(C(F)F)c1C(=O)O[C@@H](C)c1ccc(C(=O)[O-])cc1 ZINC000833019800 601192945 /nfs/dbraw/zinc/19/29/45/601192945.db2.gz QBVNNSBUTFNFHX-QMMMGPOBSA-N -1 0 325.267 3.537 20 0 EHADRM Cc1ccccc1Cc1noc(CNc2ccc(C(=O)[O-])c(C)c2)n1 ZINC000832978157 601208457 /nfs/dbraw/zinc/20/84/57/601208457.db2.gz MUTPFTGDBHPAPA-UHFFFAOYSA-N -1 0 337.379 3.588 20 0 EHADRM CCc1ccc([C@@H]2CCCCCN2C(=O)c2ccnc(C(=O)[O-])c2)o1 ZINC000236972102 601246698 /nfs/dbraw/zinc/24/66/98/601246698.db2.gz HPAWFQVGQJXTCD-INIZCTEOSA-N -1 0 342.395 3.693 20 0 EHADRM COc1cccc(/C(C)=C/C(=O)Nc2ccc(CNC(=O)[O-])cc2)c1 ZINC000832529042 601267970 /nfs/dbraw/zinc/26/79/70/601267970.db2.gz VFWPYEIGKPNQSO-JLHYYAGUSA-N -1 0 340.379 3.505 20 0 EHADRM Cc1nc(C)c(NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])s1 ZINC000832995518 601271006 /nfs/dbraw/zinc/27/10/06/601271006.db2.gz BXJQBVAZNIIKDR-SECBINFHSA-N -1 0 336.438 3.577 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000237267686 601279330 /nfs/dbraw/zinc/27/93/30/601279330.db2.gz WZENOLHDAMIEBF-ACCUITESSA-N -1 0 327.355 3.586 20 0 EHADRM O=C([O-])c1cccc(Cc2cnc(NC(=O)CCC3CCC3)s2)c1 ZINC000833096850 601282173 /nfs/dbraw/zinc/28/21/73/601282173.db2.gz XKVQUHMYLJDYQQ-UHFFFAOYSA-N -1 0 344.436 3.951 20 0 EHADRM Cc1cc(C)c(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)o1 ZINC000237806198 601282867 /nfs/dbraw/zinc/28/28/67/601282867.db2.gz SMXRGCZWFDRGTA-UHFFFAOYSA-N -1 0 333.409 3.857 20 0 EHADRM C[C@H](C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1)C1CCCC1 ZINC000826026931 601284111 /nfs/dbraw/zinc/28/41/11/601284111.db2.gz RTEHHKKHUREEPW-VIFPVBQESA-N -1 0 333.413 3.601 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)CCc1ccccc1Cl)c1ccccc1 ZINC000237502707 601296732 /nfs/dbraw/zinc/29/67/32/601296732.db2.gz MWJJRMNRKQFNJL-SCLBCKFNSA-N -1 0 345.826 3.851 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Cc1ccc2ccccc2c1)c1ccccc1 ZINC000237664697 601298046 /nfs/dbraw/zinc/29/80/46/601298046.db2.gz NEZJTVOVRQXAAI-QVKFZJNVSA-N -1 0 347.414 3.961 20 0 EHADRM COc1cc(CNc2ccc(C)c(C(=O)[O-])c2)ccc1OC(F)F ZINC000340680138 601301656 /nfs/dbraw/zinc/30/16/56/601301656.db2.gz NKQAAHODRIUNKM-UHFFFAOYSA-N -1 0 337.322 3.915 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000263522978 601309652 /nfs/dbraw/zinc/30/96/52/601309652.db2.gz IEUSPCOJIQCBPW-UHFFFAOYSA-N -1 0 336.819 3.514 20 0 EHADRM Cn1cc(NC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)cc1C(=O)[O-] ZINC000833045798 601313007 /nfs/dbraw/zinc/31/30/07/601313007.db2.gz ORNNARIDMYBQSF-IAGOWNOFSA-N -1 0 334.375 3.619 20 0 EHADRM Cc1cc(C)c(NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c(C)c1 ZINC000323979101 601316984 /nfs/dbraw/zinc/31/69/84/601316984.db2.gz YCSKWOYZIOOZLP-RMKNXTFCSA-N -1 0 345.420 3.510 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000828201929 601334306 /nfs/dbraw/zinc/33/43/06/601334306.db2.gz XTDUCAVHRMZKKM-FTGAXOIBSA-N -1 0 338.354 3.848 20 0 EHADRM Cc1cc(NC(=O)NC[C@H](c2cccnc2)C(C)C)ccc1C(=O)[O-] ZINC000832895357 601337057 /nfs/dbraw/zinc/33/70/57/601337057.db2.gz SWUCIGGTFKQKCK-KRWDZBQOSA-N -1 0 341.411 3.650 20 0 EHADRM C[C@@H](OC(=O)c1ccc(-c2ccc(C(=O)[O-])cc2)cc1)c1cnccn1 ZINC000827854445 601341104 /nfs/dbraw/zinc/34/11/04/601341104.db2.gz WKSQFAIRGLANES-CYBMUJFWSA-N -1 0 348.358 3.760 20 0 EHADRM COc1cccc(/C(C)=C\C(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC000832528529 601359203 /nfs/dbraw/zinc/35/92/03/601359203.db2.gz NVHUHEFKONRFOH-UCQJPZFISA-N -1 0 330.336 3.694 20 0 EHADRM Cc1cccc([C@H](C)c2nc(COc3cccc(C(=O)[O-])c3)no2)c1 ZINC000832965399 601367255 /nfs/dbraw/zinc/36/72/55/601367255.db2.gz AVQYQINPWCWJIY-ZDUSSCGKSA-N -1 0 338.363 3.807 20 0 EHADRM C[C@H](Cc1nc(COc2cccc(C(=O)[O-])c2)no1)c1ccccc1 ZINC000827597074 601367899 /nfs/dbraw/zinc/36/78/99/601367899.db2.gz LEHUYCFZZDRWBU-CYBMUJFWSA-N -1 0 338.363 3.693 20 0 EHADRM CO[C@H](C)c1nc(C)c(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)s1 ZINC000831494366 601380451 /nfs/dbraw/zinc/38/04/51/601380451.db2.gz ZIQYCKDBUMLRST-SECBINFHSA-N -1 0 345.380 3.574 20 0 EHADRM CCc1oc(C(=O)OC)cc1CNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000830398412 601390446 /nfs/dbraw/zinc/39/04/46/601390446.db2.gz LKZXJSJTLKPSAI-UHFFFAOYSA-N -1 0 337.759 3.592 20 0 EHADRM CCCOc1cccc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000236873738 601391528 /nfs/dbraw/zinc/39/15/28/601391528.db2.gz CPIAZFISZHJZDB-KSSFIOAISA-N -1 0 341.407 3.667 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CSc1nnc(-c2ccccc2)o1 ZINC000830398385 601395703 /nfs/dbraw/zinc/39/57/03/601395703.db2.gz KOZSYEZYENZGLD-UHFFFAOYSA-N -1 0 330.365 3.883 20 0 EHADRM CN(Cc1cc2ccccc2o1)Cn1nc(C(=O)[O-])c2ccccc21 ZINC000830811246 601401683 /nfs/dbraw/zinc/40/16/83/601401683.db2.gz WUYYZLPPRQTUDV-UHFFFAOYSA-N -1 0 335.363 3.570 20 0 EHADRM C[C@@H](C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1)c1ccc(Cl)s1 ZINC000761624318 601407238 /nfs/dbraw/zinc/40/72/38/601407238.db2.gz AWKPQSSEBVPLJZ-QMTHXVAHSA-N -1 0 337.828 3.789 20 0 EHADRM Cc1ccc(-c2ncc(C(=O)NC3(CC(=O)[O-])CCC3)s2)c(C)c1 ZINC000675996307 601436463 /nfs/dbraw/zinc/43/64/63/601436463.db2.gz BISNNYCTSGCZRS-UHFFFAOYSA-N -1 0 344.436 3.554 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000237021905 601457186 /nfs/dbraw/zinc/45/71/86/601457186.db2.gz JMQZNTNBVKXESW-BZNIZROVSA-N -1 0 345.361 3.644 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc(C)n(C2CCCCC2)c1C ZINC000237127090 601459240 /nfs/dbraw/zinc/45/92/40/601459240.db2.gz ZMFUVHXBOCZIDX-LJQANCHMSA-N -1 0 334.460 3.983 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)c1ncoc1-c1ccccc1 ZINC000830395196 601466225 /nfs/dbraw/zinc/46/62/25/601466225.db2.gz UPSWUCHOJMEDID-UHFFFAOYSA-N -1 0 341.319 3.552 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)c1cnc2ccsc2c1 ZINC000830395206 601467185 /nfs/dbraw/zinc/46/71/85/601467185.db2.gz VDSPVPXIOCOBGH-UHFFFAOYSA-N -1 0 331.349 3.507 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000767054735 601469575 /nfs/dbraw/zinc/46/95/75/601469575.db2.gz SMZGZQYYFMEVMI-SFHVURJKSA-N -1 0 345.420 3.681 20 0 EHADRM O=C([O-])[C@H](OC(=O)C/C=C\c1ccc(F)cc1)c1ccccc1F ZINC000833096037 601470841 /nfs/dbraw/zinc/47/08/41/601470841.db2.gz GJZNEDOMXRWNQQ-CWIOURORSA-N -1 0 332.302 3.737 20 0 EHADRM O=C([O-])[C@@H](OC(=O)C/C=C/c1cccc(F)c1)c1ccc(F)cc1 ZINC000833096436 601472403 /nfs/dbraw/zinc/47/24/03/601472403.db2.gz PTEGJQFAYMITNV-WVMJFEGXSA-N -1 0 332.302 3.737 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000324307160 601485359 /nfs/dbraw/zinc/48/53/59/601485359.db2.gz FIAQQZZCKGXBNP-UHFFFAOYSA-N -1 0 334.416 3.583 20 0 EHADRM CCCOc1cc(C)ccc1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000656602215 601485630 /nfs/dbraw/zinc/48/56/30/601485630.db2.gz XKJANDNFYHBEDV-UHFFFAOYSA-N -1 0 348.443 3.893 20 0 EHADRM C[C@H](CC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000262550534 601494877 /nfs/dbraw/zinc/49/48/77/601494877.db2.gz USVTYPHPDDMPEX-YJYMSZOUSA-N -1 0 341.382 3.530 20 0 EHADRM Cc1ccc(/C=C/CC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000237733683 601505726 /nfs/dbraw/zinc/50/57/26/601505726.db2.gz LKXZDGNMSTUBBP-ZSUOFZKHSA-N -1 0 337.419 3.977 20 0 EHADRM Cc1ccc(/C=C/CC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000237602086 601505814 /nfs/dbraw/zinc/50/58/14/601505814.db2.gz LKXZDGNMSTUBBP-OJCVGBIZSA-N -1 0 337.419 3.977 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC000832914666 601527918 /nfs/dbraw/zinc/52/79/18/601527918.db2.gz ASBXNYTYWJPOHZ-ZDUSSCGKSA-N -1 0 344.333 3.936 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@H](C)c1ccc(F)cc1F ZINC000832914635 601529096 /nfs/dbraw/zinc/52/90/96/601529096.db2.gz COCWJTXTMABLDC-SNVBAGLBSA-N -1 0 334.322 3.854 20 0 EHADRM Cc1cccc(C2(C(=O)N[C@H](CC(=O)[O-])C3CC3)CCCCC2)c1 ZINC000832965249 601530119 /nfs/dbraw/zinc/53/01/19/601530119.db2.gz HDNYKTBIBLKQME-QGZVFWFLSA-N -1 0 329.440 3.566 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1sccc1-c1ccc(F)cc1)C1CC1 ZINC000833201139 601531252 /nfs/dbraw/zinc/53/12/52/601531252.db2.gz MFDSQDHSSHCICZ-CQSZACIVSA-N -1 0 333.384 3.537 20 0 EHADRM Cc1ccc(-c2nc(CN3CCc4ccccc4[C@@H]3C(=O)[O-])co2)cc1 ZINC000574636626 601546850 /nfs/dbraw/zinc/54/68/50/601546850.db2.gz QFKSBCXYWAVMIM-LJQANCHMSA-N -1 0 348.402 3.834 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1Cc1csc(C2CCCC2)n1 ZINC000563287960 601547713 /nfs/dbraw/zinc/54/77/13/601547713.db2.gz HHIMRNUNUUOGRF-KRWDZBQOSA-N -1 0 342.464 3.985 20 0 EHADRM O=C([O-])C1CCN(C(=O)Nc2cccc(CCC(F)(F)F)c2)CC1 ZINC000262999082 601553161 /nfs/dbraw/zinc/55/31/61/601553161.db2.gz FUDVDTNGTAATDW-UHFFFAOYSA-N -1 0 344.333 3.510 20 0 EHADRM C[C@H]1CN(c2nc(-c3cccs3)nc3ccccc32)C[C@H]1C(=O)[O-] ZINC000828500588 601564627 /nfs/dbraw/zinc/56/46/27/601564627.db2.gz UTNCTBWEDLTWDB-WCQYABFASA-N -1 0 339.420 3.515 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc2ccc(Cl)cc2n1)c1ccccc1 ZINC000156323951 601565014 /nfs/dbraw/zinc/56/50/14/601565014.db2.gz ZXNFWYSUUWJTQJ-UHFFFAOYSA-N -1 0 340.766 3.620 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)/C=C/SCc1ccco1)c1ccccc1 ZINC000181655895 601571805 /nfs/dbraw/zinc/57/18/05/601571805.db2.gz MCWWQWCVJWRCHO-YBHKSSGVSA-N -1 0 345.420 3.749 20 0 EHADRM Cc1nc(C2(NC(=O)c3ccccc3)CCCCC2)sc1C(=O)[O-] ZINC000738351403 601574955 /nfs/dbraw/zinc/57/49/55/601574955.db2.gz RADWEAVRRVRBKX-UHFFFAOYSA-N -1 0 344.436 3.739 20 0 EHADRM COc1ccc(C(=O)[O-])c(OCc2ncc(-c3cccc(F)c3)o2)c1 ZINC000832183236 601577093 /nfs/dbraw/zinc/57/70/93/601577093.db2.gz UJJCZIVRAVAWCF-UHFFFAOYSA-N -1 0 343.310 3.767 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000343376962 601581856 /nfs/dbraw/zinc/58/18/56/601581856.db2.gz RQWPNVGCXSWKLX-BZUAXINKSA-N -1 0 347.773 3.525 20 0 EHADRM O=C([O-])[C@H](NC(=O)CCSc1ccccc1)c1ccc(Cl)cc1 ZINC000345777773 601582742 /nfs/dbraw/zinc/58/27/42/601582742.db2.gz MNUWIMCMYIZJOT-MRXNPFEDSA-N -1 0 349.839 3.764 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(Cl)s1)c1ccc(Cl)cc1 ZINC000345894679 601583779 /nfs/dbraw/zinc/58/37/79/601583779.db2.gz XBIKAUKQZBFLAW-NSHDSACASA-N -1 0 330.192 3.611 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000391259903 601600500 /nfs/dbraw/zinc/60/05/00/601600500.db2.gz GLEAOXOZCBPQAY-UHFFFAOYSA-N -1 0 335.787 3.769 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N(Cc1ccccc1)CC(F)F ZINC000832917080 601604058 /nfs/dbraw/zinc/60/40/58/601604058.db2.gz RPHZNASQJLZFNF-UHFFFAOYSA-N -1 0 348.349 3.992 20 0 EHADRM Cc1cc(C)cc(NC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000832878233 601614305 /nfs/dbraw/zinc/61/43/05/601614305.db2.gz AFGJFZCCTPBZAY-PBHICJAKSA-N -1 0 326.396 3.887 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1F ZINC000832946904 601615346 /nfs/dbraw/zinc/61/53/46/601615346.db2.gz LNWSCMSXRVJGQH-BLLLJJGKSA-N -1 0 330.359 3.718 20 0 EHADRM Cc1nc(CC(C)C)sc1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000362697449 601617296 /nfs/dbraw/zinc/61/72/96/601617296.db2.gz BILWEJAKZPVAOA-UHFFFAOYSA-N -1 0 332.425 3.529 20 0 EHADRM Cc1c(C(=O)Nc2ccccc2CC(=O)[O-])sc2nccc(C)c12 ZINC000738325025 601617503 /nfs/dbraw/zinc/61/75/03/601617503.db2.gz SWBNVPLRYKEQHI-UHFFFAOYSA-N -1 0 340.404 3.793 20 0 EHADRM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)c1ccsc1 ZINC000262065674 601619655 /nfs/dbraw/zinc/61/96/55/601619655.db2.gz BPXXATXGFSSXAO-YGRLFVJLSA-N -1 0 337.828 3.837 20 0 EHADRM COc1cc(C)ccc1NC(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000831966530 601621345 /nfs/dbraw/zinc/62/13/45/601621345.db2.gz AKQPNOAXOLXOLF-SUMWQHHRSA-N -1 0 342.395 3.587 20 0 EHADRM O=C([O-])c1ccc(CSc2n[nH]c(Cc3cccs3)n2)cc1F ZINC000833316430 601623780 /nfs/dbraw/zinc/62/37/80/601623780.db2.gz GNGMEKMRLJANAJ-UHFFFAOYSA-N -1 0 349.412 3.587 20 0 EHADRM CC(C)CN(C(=O)Nc1ccc(CNC(=O)[O-])cc1)C1CCCC1 ZINC000826865841 601624816 /nfs/dbraw/zinc/62/48/16/601624816.db2.gz ZLRTYTHZZWYONR-UHFFFAOYSA-N -1 0 333.432 3.887 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000827033756 601625812 /nfs/dbraw/zinc/62/58/12/601625812.db2.gz QCYIMIHQRVESLL-ZDUSSCGKSA-N -1 0 340.807 3.502 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CN1CCC[C@H]1c1noc(C(C)C)n1 ZINC000833032478 601625846 /nfs/dbraw/zinc/62/58/46/601625846.db2.gz HDCYNMZXDXKCFU-LBPRGKRZSA-N -1 0 335.429 3.598 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCCC[C@H]2[C@@H]2CCCCC2=O)s1 ZINC000833309761 601630791 /nfs/dbraw/zinc/63/07/91/601630791.db2.gz LSHRKQNZLAMAQT-STQMWFEESA-N -1 0 349.452 3.590 20 0 EHADRM CCCCC[C@@H](NC(=O)c1nc(-c2ccccc2F)oc1C)C(=O)[O-] ZINC000761845954 601640018 /nfs/dbraw/zinc/64/00/18/601640018.db2.gz LQTRLZFIQNIRDM-CQSZACIVSA-N -1 0 348.374 3.552 20 0 EHADRM CCCCC[C@@H](NC(=O)c1cccc(C(F)(F)F)c1F)C(=O)[O-] ZINC000236839941 601641856 /nfs/dbraw/zinc/64/18/56/601641856.db2.gz KKMPABXWPDGBAK-LLVKDONJSA-N -1 0 335.297 3.608 20 0 EHADRM Cc1cc(NC(=O)c2sc(C)nc2CC(C)C)sc1C(=O)[O-] ZINC000832999303 601654495 /nfs/dbraw/zinc/65/44/95/601654495.db2.gz TWKQPZLGVXIRBJ-UHFFFAOYSA-N -1 0 338.454 3.970 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NCc1ncc(-c2cccs2)o1)c1ccccc1 ZINC000826055411 601654654 /nfs/dbraw/zinc/65/46/54/601654654.db2.gz ZXXRNSUUETVEAM-PXAZEXFGSA-N -1 0 342.420 3.955 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000833163772 601671573 /nfs/dbraw/zinc/67/15/73/601671573.db2.gz RYBNDEMUKABARS-UHFFFAOYSA-N -1 0 333.262 3.857 20 0 EHADRM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(C(=O)[O-])s2)C1(CC)CC ZINC000236968286 601673498 /nfs/dbraw/zinc/67/34/98/601673498.db2.gz XRNYOUWFVAURAM-KGLIPLIRSA-N -1 0 339.457 3.502 20 0 EHADRM Cc1oc(CN(C)C(=O)N[C@H](C)c2ccc(C)c(F)c2)cc1C(=O)[O-] ZINC000832920771 601677751 /nfs/dbraw/zinc/67/77/51/601677751.db2.gz GDHLWMLANXBUPQ-LLVKDONJSA-N -1 0 348.374 3.636 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)CCSc2ccccn2)cc1 ZINC000826114800 601681182 /nfs/dbraw/zinc/68/11/82/601681182.db2.gz UZGITWGTPFRSJB-UHFFFAOYSA-N -1 0 344.436 3.565 20 0 EHADRM CC[C@H](C(=O)OC/C=C(/C)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000828604316 601682206 /nfs/dbraw/zinc/68/22/06/601682206.db2.gz ZWBITZKEPVEREG-SZNGSJQDSA-N -1 0 330.302 3.773 20 0 EHADRM CC(C)(CNC(=O)N1CCC[C@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000826567344 601682292 /nfs/dbraw/zinc/68/22/92/601682292.db2.gz CYNTVZUEEUVOJB-KRWDZBQOSA-N -1 0 340.423 3.797 20 0 EHADRM O=C([O-])[C@H]1CCCCN1C(=O)CCCc1csc2ccccc12 ZINC000128613275 601684991 /nfs/dbraw/zinc/68/49/91/601684991.db2.gz DBVPEZSDBSEKCY-OAHLLOKOSA-N -1 0 331.437 3.690 20 0 EHADRM CCCN(Cc1c(F)cccc1Cl)C(=O)NCC(C)(C)C(=O)[O-] ZINC000829497100 601686651 /nfs/dbraw/zinc/68/66/51/601686651.db2.gz WJLCJLYVOCDTKU-UHFFFAOYSA-N -1 0 344.814 3.512 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2nc3c(cccc3Cl)[nH]2)c1 ZINC000833287836 601690282 /nfs/dbraw/zinc/69/02/82/601690282.db2.gz ATJORBATXJWKSQ-UHFFFAOYSA-N -1 0 330.731 3.559 20 0 EHADRM CC(C)(CNC(=O)c1ccc(SCc2ccccc2)cc1)C(=O)[O-] ZINC000236718891 601713152 /nfs/dbraw/zinc/71/31/52/601713152.db2.gz NDJZVBFEUVSYNB-UHFFFAOYSA-N -1 0 343.448 3.820 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)[C@@H](C)Oc1cccc(C)c1 ZINC000832973222 601714976 /nfs/dbraw/zinc/71/49/76/601714976.db2.gz QXEXJQKCSXGKPQ-LLVKDONJSA-N -1 0 334.393 3.574 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)[C@@H]1Cc2ccccc2S1 ZINC000833031810 601715139 /nfs/dbraw/zinc/71/51/39/601715139.db2.gz QHUQVZOMMOFXFX-AWEZNQCLSA-N -1 0 334.418 3.515 20 0 EHADRM CCC1(NC(=O)Nc2cccc(CSCCC(=O)[O-])c2)CCC1 ZINC000829069864 601718696 /nfs/dbraw/zinc/71/86/96/601718696.db2.gz USLCJRXPHGTCMV-UHFFFAOYSA-N -1 0 336.457 3.849 20 0 EHADRM O=C([O-])c1ccc(COC(=O)CCc2ccc(Cl)cc2)cc1F ZINC000833102863 601720409 /nfs/dbraw/zinc/72/04/09/601720409.db2.gz UBSIMMBIAVKMKL-UHFFFAOYSA-N -1 0 336.746 3.853 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])s1)c1cccc(N2CCCC2)c1 ZINC000827694419 601721708 /nfs/dbraw/zinc/72/17/08/601721708.db2.gz FOWMZOAXSHQXQC-LBPRGKRZSA-N -1 0 344.436 3.538 20 0 EHADRM CCSCc1cccc(NC(=O)NCC2(C(=O)[O-])CCCC2)c1 ZINC000830169746 601726368 /nfs/dbraw/zinc/72/63/68/601726368.db2.gz WZICPVFTCVHLHB-UHFFFAOYSA-N -1 0 336.457 3.706 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)c1 ZINC000821550780 601727667 /nfs/dbraw/zinc/72/76/67/601727667.db2.gz QSPKPUAYAKBKLL-UHFFFAOYSA-N -1 0 349.346 3.565 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1cnc(-c2ccco2)s1 ZINC000833031839 601727936 /nfs/dbraw/zinc/72/79/36/601727936.db2.gz SOWFERRILCFOKN-UHFFFAOYSA-N -1 0 349.389 3.828 20 0 EHADRM C[C@H](CC(=O)OCc1ccc(C(=O)[O-])c(F)c1)c1ccc(F)cc1 ZINC000827392336 601728490 /nfs/dbraw/zinc/72/84/90/601728490.db2.gz YAOYQTPYBUSLIR-LLVKDONJSA-N -1 0 334.318 3.900 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1c(F)cc(F)cc1F ZINC000833033203 601731418 /nfs/dbraw/zinc/73/14/18/601731418.db2.gz SGNIIUMSLHSOPF-UHFFFAOYSA-N -1 0 330.283 3.529 20 0 EHADRM O=C([O-])c1ccc(COC(=O)C/C=C/c2ccc(F)cc2)cc1F ZINC000833096882 601733839 /nfs/dbraw/zinc/73/38/39/601733839.db2.gz VUPXTRMDICFFNH-OWOJBTEDSA-N -1 0 332.302 3.810 20 0 EHADRM CC(C)[C@@H](CC(=O)N[C@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000678989097 601741357 /nfs/dbraw/zinc/74/13/57/601741357.db2.gz WNUUZDAJCNZSKC-APWZRJJASA-N -1 0 343.398 3.898 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cc(F)cc(Cl)c1)c1ccc(F)cc1 ZINC000833350865 601745071 /nfs/dbraw/zinc/74/50/71/601745071.db2.gz MMIMDXSNMIGWGY-ZDUSSCGKSA-N -1 0 326.682 3.601 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC000324792551 601754113 /nfs/dbraw/zinc/75/41/13/601754113.db2.gz MXIPOKQOHDSXOG-HNNXBMFYSA-N -1 0 333.359 3.644 20 0 EHADRM Cc1ccc2c(CCC(=O)N[C@@H](C(=O)[O-])C3CCCCC3)c[nH]c2c1 ZINC000832960096 601755342 /nfs/dbraw/zinc/75/53/42/601755342.db2.gz MEFCHKHLLCYHTN-LJQANCHMSA-N -1 0 342.439 3.559 20 0 EHADRM Cc1nn(Cc2ccccc2C(F)(F)F)c(C)c1[C@H](C)C(=O)[O-] ZINC000833020845 601778849 /nfs/dbraw/zinc/77/88/49/601778849.db2.gz ATJQWULLYSQABE-VIFPVBQESA-N -1 0 326.318 3.755 20 0 EHADRM C[C@H](Nc1nc(Cl)c(C(=O)[O-])s1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000827773248 601786622 /nfs/dbraw/zinc/78/66/22/601786622.db2.gz FIAMIADAPNXXCN-VHSKPIJISA-N -1 0 338.816 3.860 20 0 EHADRM CN(C)C(=O)Sc1cccc(CNc2ccc(F)c(C(=O)[O-])c2)c1 ZINC000830569268 601787444 /nfs/dbraw/zinc/78/74/44/601787444.db2.gz KYFBFWDKKISTDQ-UHFFFAOYSA-N -1 0 348.399 3.910 20 0 EHADRM CN(C)C(=O)Sc1ccc(CNc2cccc(F)c2C(=O)[O-])cc1 ZINC000830563667 601787461 /nfs/dbraw/zinc/78/74/61/601787461.db2.gz NTKVWQJHHSMVRH-UHFFFAOYSA-N -1 0 348.399 3.910 20 0 EHADRM Cc1cccc(N2C(=O)c3ccccc3N[C@H]2c2c[nH]c(C(=O)[O-])c2)c1 ZINC000832971480 601790453 /nfs/dbraw/zinc/79/04/53/601790453.db2.gz OYZNBESOFJGDIZ-GOSISDBHSA-N -1 0 347.374 3.792 20 0 EHADRM COc1cc(OC)c(NC(=O)Nc2cccc(NC(=O)[O-])c2)cc1F ZINC000832030473 601797575 /nfs/dbraw/zinc/79/75/75/601797575.db2.gz SEPDREGSOZXSMX-UHFFFAOYSA-N -1 0 349.318 3.577 20 0 EHADRM C[C@H](C(=O)Nc1ncc(C(=O)[O-])s1)c1ccc2ccccc2c1 ZINC000826026072 601800133 /nfs/dbraw/zinc/80/01/33/601800133.db2.gz KIXOBTYUTXVXLX-JTQLQIEISA-N -1 0 326.377 3.737 20 0 EHADRM Cc1cc(CCCC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c(C)s1 ZINC000237726055 601801287 /nfs/dbraw/zinc/80/12/87/601801287.db2.gz BKBSXXSGKDGZJL-ULQDDVLXSA-N -1 0 349.496 3.932 20 0 EHADRM C[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccccc1)c1ccc2ccccc2c1 ZINC000237482425 601802403 /nfs/dbraw/zinc/80/24/03/601802403.db2.gz YULYQGPJLFGLSW-KUHUBIRLSA-N -1 0 333.387 3.885 20 0 EHADRM CC[C@@H](C)c1ccc(NC(=O)CNc2cccc(C(=O)[O-])c2)cc1 ZINC000828764953 601803339 /nfs/dbraw/zinc/80/33/39/601803339.db2.gz RMITVTOVULADGI-CYBMUJFWSA-N -1 0 326.396 3.949 20 0 EHADRM CCC(CC)[C@H](NC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000828854887 601803770 /nfs/dbraw/zinc/80/37/70/601803770.db2.gz XUINLQOJFZLVGT-XYPHTWIQSA-N -1 0 332.444 3.526 20 0 EHADRM COc1ccc(Cl)cc1CN(C)Cc1ccsc1C(=O)[O-] ZINC000578756190 601805592 /nfs/dbraw/zinc/80/55/92/601805592.db2.gz HZBNVMXDZMUBDV-UHFFFAOYSA-N -1 0 325.817 3.740 20 0 EHADRM COc1ccc(F)cc1C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000832378662 601808101 /nfs/dbraw/zinc/80/81/01/601808101.db2.gz PUPKAIUIUKKKOT-UHFFFAOYSA-N -1 0 335.356 3.724 20 0 EHADRM O=C([O-])c1c(C2CC2)csc1NC(=O)CCCc1ccccn1 ZINC000738454692 601809801 /nfs/dbraw/zinc/80/98/01/601809801.db2.gz MLSAREIOQNOCCD-UHFFFAOYSA-N -1 0 330.409 3.680 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H](C2CCCCC2)C(F)(F)F)s1 ZINC000668301323 601812764 /nfs/dbraw/zinc/81/27/64/601812764.db2.gz IIUDHOXGQIXNIU-NSHDSACASA-N -1 0 335.347 3.687 20 0 EHADRM CC(C)C[C@@H](C)N(C)C(=O)CSCc1ccc(C(=O)[O-])c(F)c1 ZINC000826759493 601813670 /nfs/dbraw/zinc/81/36/70/601813670.db2.gz HFSOWKKCZQCMEC-GFCCVEGCSA-N -1 0 341.448 3.650 20 0 EHADRM CC(C)[C@@H](Sc1ccccc1)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000540782269 601814523 /nfs/dbraw/zinc/81/45/23/601814523.db2.gz RETMRLXLMLDNJC-GOSISDBHSA-N -1 0 349.496 3.907 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CC1 ZINC000537479838 601814631 /nfs/dbraw/zinc/81/46/31/601814631.db2.gz PPVSDKHWMCENBY-CVEARBPZSA-N -1 0 335.831 3.547 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2cc3cccc(Cl)c3o2)CC1 ZINC000833224279 601818409 /nfs/dbraw/zinc/81/84/09/601818409.db2.gz QUNAYQPXHYMUGZ-UHFFFAOYSA-N -1 0 335.787 3.803 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)C2(c3ccccc3F)CCCC2)CC1 ZINC000539686794 601818906 /nfs/dbraw/zinc/81/89/06/601818906.db2.gz KQMPEKOJOPAVGQ-UHFFFAOYSA-N -1 0 347.430 3.741 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)C[C@@H]2CCCc3ccccc32)CC1 ZINC000537483059 601819625 /nfs/dbraw/zinc/81/96/25/601819625.db2.gz XOTSBWSFBWYPPF-KRWDZBQOSA-N -1 0 329.440 3.600 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N(c2ccc(F)cc2)C2CCCC2)C1 ZINC000833186814 601821306 /nfs/dbraw/zinc/82/13/06/601821306.db2.gz VUYVGNZPNSUJPN-KGLIPLIRSA-N -1 0 333.403 3.992 20 0 EHADRM CC[C@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccc(C)cc1 ZINC000659392458 601823087 /nfs/dbraw/zinc/82/30/87/601823087.db2.gz FLJRLMWPTOXNAI-KRWDZBQOSA-N -1 0 332.444 3.733 20 0 EHADRM Cc1csc(CNc2cc(C(=O)[O-])c(F)cc2Br)n1 ZINC000832989011 601831783 /nfs/dbraw/zinc/83/17/83/601831783.db2.gz DBNAPVPNHLJFNB-UHFFFAOYSA-N -1 0 345.193 3.663 20 0 EHADRM Cc1ccccc1-n1cnnc1SCc1ccc(C(=O)[O-])s1 ZINC000832976676 601845355 /nfs/dbraw/zinc/84/53/55/601845355.db2.gz XRCSDPQJLGMAST-UHFFFAOYSA-N -1 0 331.422 3.628 20 0 EHADRM Cc1oc(COC(=O)c2cncc(-c3ccccc3)c2)cc1C(=O)[O-] ZINC000833027525 601847406 /nfs/dbraw/zinc/84/74/06/601847406.db2.gz UVNBZULSNANIAD-UHFFFAOYSA-N -1 0 337.331 3.705 20 0 EHADRM CCc1ccc([C@H](C)NC(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC000666512993 601848314 /nfs/dbraw/zinc/84/83/14/601848314.db2.gz ARWMXCNHEHOOFU-ZDUSSCGKSA-N -1 0 326.396 3.508 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)NCCc2ccc3ccccc3c2)c1 ZINC000833145270 601852375 /nfs/dbraw/zinc/85/23/75/601852375.db2.gz BCFNMQHMFXKUDQ-UHFFFAOYSA-N -1 0 348.402 3.580 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1cc(F)c(C)cc1F)c1ccccc1 ZINC000828594622 601862891 /nfs/dbraw/zinc/86/28/91/601862891.db2.gz HKOXAESWRRPWEH-INIZCTEOSA-N -1 0 333.334 3.783 20 0 EHADRM C[C@@H](C(=O)Oc1ccc(SCC(=O)[O-])cc1)c1ccccc1F ZINC000826071059 601876448 /nfs/dbraw/zinc/87/64/48/601876448.db2.gz HMEMCPSXBAVUPB-LLVKDONJSA-N -1 0 334.368 3.712 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)C2(c3ccccc3)CCC2)cc1 ZINC000833263241 601878651 /nfs/dbraw/zinc/87/86/51/601878651.db2.gz LESOXTWAVCTEIR-UHFFFAOYSA-N -1 0 342.416 3.891 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)[C@H]2CCCc3ccccc32)cc1 ZINC000833263429 601880110 /nfs/dbraw/zinc/88/01/10/601880110.db2.gz OUUBGSJIFLJRCT-KRWDZBQOSA-N -1 0 342.416 3.889 20 0 EHADRM O=C([O-])c1sccc1COc1ccccc1C(=O)N1CCCCC1 ZINC000833348154 601892933 /nfs/dbraw/zinc/89/29/33/601892933.db2.gz BMYHPFKWKMOZAP-UHFFFAOYSA-N -1 0 345.420 3.651 20 0 EHADRM Cc1ccc(C=Cc2nc(SCc3ccc(C(=O)[O-])s3)n[nH]2)o1 ZINC000832927853 601893355 /nfs/dbraw/zinc/89/33/55/601893355.db2.gz CJCKSFXUEAZNBS-DAXSKMNVSA-N -1 0 347.421 3.929 20 0 EHADRM O=C([O-])c1sccc1Cn1c2ccccc2nc1C(F)(F)F ZINC000833348251 601894203 /nfs/dbraw/zinc/89/42/03/601894203.db2.gz QJWWEXPZYKYWJT-UHFFFAOYSA-N -1 0 326.299 3.863 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)c1cnc(-c2ccco2)s1 ZINC000262163674 601901829 /nfs/dbraw/zinc/90/18/29/601901829.db2.gz VODSKLSFEPRPBR-RYUDHWBXSA-N -1 0 348.424 3.557 20 0 EHADRM O=C(CCCOCc1ccccc1)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000262052058 601902823 /nfs/dbraw/zinc/90/28/23/601902823.db2.gz AFQGBTRLLFJLQX-ZWKOTPCHSA-N -1 0 347.455 3.523 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000262099779 601909492 /nfs/dbraw/zinc/90/94/92/601909492.db2.gz IXESWGIDUNLPQU-ZOBORPQBSA-N -1 0 349.393 3.895 20 0 EHADRM COc1ccc(C(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])c(Cl)c1 ZINC000832169890 601911694 /nfs/dbraw/zinc/91/16/94/601911694.db2.gz WGSXZPWWZJQBDB-DZGCQCFKSA-N -1 0 339.819 3.502 20 0 EHADRM C[C@@H](CNc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000827512996 601916344 /nfs/dbraw/zinc/91/63/44/601916344.db2.gz VSQMUZPGEJPMQF-NSHDSACASA-N -1 0 347.802 3.660 20 0 EHADRM Cc1c2ccccc2oc1C(=O)N[C@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000262208606 601916506 /nfs/dbraw/zinc/91/65/06/601916506.db2.gz VQPVTRZWJCENFY-CABCVRRESA-N -1 0 329.396 3.895 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000170534400 601920850 /nfs/dbraw/zinc/92/08/50/601920850.db2.gz JVQVPXKYGVWFHL-UHFFFAOYSA-N -1 0 345.398 3.833 20 0 EHADRM CCCN(C(=O)C1CCC(NC(=O)[O-])CC1)[C@H]1CCc2ccccc21 ZINC000739353418 601927878 /nfs/dbraw/zinc/92/78/78/601927878.db2.gz SLJFMJMNNKJKIT-HTWSVDAQSA-N -1 0 344.455 3.739 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)C(F)=C2CCCC2)cc1 ZINC000832777641 601940940 /nfs/dbraw/zinc/94/09/40/601940940.db2.gz VLQTUPFIAGTGOW-CQSZACIVSA-N -1 0 337.416 3.838 20 0 EHADRM CCS[C@H](C(=O)Nc1ccc(NC(=O)[O-])c(OC)c1)C(C)C ZINC000739520645 601980116 /nfs/dbraw/zinc/98/01/16/601980116.db2.gz RSZLEMVDDALMHC-ZDUSSCGKSA-N -1 0 326.418 3.501 20 0 EHADRM Cc1ccc(SCCC(=O)Nc2ccc(NC(=O)[O-])nc2)cc1 ZINC000740151635 601996618 /nfs/dbraw/zinc/99/66/18/601996618.db2.gz CXMLYYDILAALND-UHFFFAOYSA-N -1 0 331.397 3.601 20 0 EHADRM O=C([O-])c1ccc(COC(=O)CSCc2ccc(F)cc2)s1 ZINC000833115933 601997291 /nfs/dbraw/zinc/99/72/91/601997291.db2.gz MHWRSIDRQFMRDL-UHFFFAOYSA-N -1 0 340.397 3.562 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cn1 ZINC000740711799 601997309 /nfs/dbraw/zinc/99/73/09/601997309.db2.gz DXORHLVTTPCQKV-UHFFFAOYSA-N -1 0 326.139 3.731 20 0 EHADRM CC(C)C(C)(C)NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000826677730 601997470 /nfs/dbraw/zinc/99/74/70/601997470.db2.gz YPVOCWUMZQUUCV-UHFFFAOYSA-N -1 0 332.322 3.960 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cc3c(cccc3F)s2)cn1 ZINC000740711757 601998367 /nfs/dbraw/zinc/99/83/67/601998367.db2.gz BJNZIIOXNIHJFR-UHFFFAOYSA-N -1 0 331.328 3.778 20 0 EHADRM O=C([O-])c1ccc(COC(=O)C2(c3ccc(F)cc3)CCC2)s1 ZINC000833315689 602000556 /nfs/dbraw/zinc/00/05/56/602000556.db2.gz VPULAAYAZKVVLF-UHFFFAOYSA-N -1 0 334.368 3.751 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)CC2CCC(c3ccccc3)CC2)C1 ZINC000237640418 602008781 /nfs/dbraw/zinc/00/87/81/602008781.db2.gz LQDKLLRNQOMDBE-LAGYLCCXSA-N -1 0 329.440 3.674 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)s1 ZINC000833315392 602010072 /nfs/dbraw/zinc/01/00/72/602010072.db2.gz QWLJCQGMDVYAPV-UWVGGRQHSA-N -1 0 338.331 3.571 20 0 EHADRM CC1(C)C[C@@H]1CNC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000828055370 602010847 /nfs/dbraw/zinc/01/08/47/602010847.db2.gz CXVPQOMEUKMYKQ-SNVBAGLBSA-N -1 0 330.306 3.571 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)c1cc(F)c(F)cc1Cl ZINC000238105165 602020724 /nfs/dbraw/zinc/02/07/24/602020724.db2.gz XTUUPQPXDQCOGM-UHFFFAOYSA-N -1 0 333.762 3.773 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@@H]1SCCc2ccccc21 ZINC000238100026 602021114 /nfs/dbraw/zinc/02/11/14/602021114.db2.gz PCVHTCWEFOMVBV-QGZVFWFLSA-N -1 0 335.469 3.558 20 0 EHADRM COc1ccc(C)cc1NC(=O)N[C@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000832266063 602025830 /nfs/dbraw/zinc/02/58/30/602025830.db2.gz VIXQBTUWNFJBDH-KGLIPLIRSA-N -1 0 334.416 3.549 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)[C@H]1C ZINC000828286716 602026155 /nfs/dbraw/zinc/02/61/55/602026155.db2.gz ZAXFPXPTOGXWCM-BDAKNGLRSA-N -1 0 330.306 3.666 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)c2cc(Cl)c(Cl)[nH]2)c1 ZINC000740704548 602027555 /nfs/dbraw/zinc/02/75/55/602027555.db2.gz PECWDIQWVMOSSN-UHFFFAOYSA-N -1 0 332.118 3.803 20 0 EHADRM CC(C)C[C@@H]1CCCCN1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000826832562 602031304 /nfs/dbraw/zinc/03/13/04/602031304.db2.gz UDDJFMWYDPJWCR-HNNXBMFYSA-N -1 0 334.416 3.583 20 0 EHADRM O=C([O-])Nc1cc(C(=O)OCC(F)(F)F)cc(C(F)(F)F)c1 ZINC000833283549 602033695 /nfs/dbraw/zinc/03/36/95/602033695.db2.gz LRYQRZXTXYZNBK-UHFFFAOYSA-N -1 0 331.168 3.514 20 0 EHADRM CN(Cc1nccs1)[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000830879409 602047409 /nfs/dbraw/zinc/04/74/09/602047409.db2.gz LGMXKQZTRXDBKS-GFCCVEGCSA-N -1 0 331.224 3.708 20 0 EHADRM CC(C)c1ccc(N(C)C(=O)c2cccc(OCC(=O)[O-])c2)cc1 ZINC000262714372 602059057 /nfs/dbraw/zinc/05/90/57/602059057.db2.gz CJZNRPCPSBLILY-UHFFFAOYSA-N -1 0 327.380 3.550 20 0 EHADRM C[C@H]1Cc2ccccc2[C@H]1NC(=O)NCCCCCCCC(=O)[O-] ZINC000828516866 602069609 /nfs/dbraw/zinc/06/96/09/602069609.db2.gz VRTXQNNIJGRJMU-KSSFIOAISA-N -1 0 332.444 3.644 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2ccccc2Oc2cccnc2)c1 ZINC000676210622 602076660 /nfs/dbraw/zinc/07/66/60/602076660.db2.gz LWCJNOFZUUKQLE-UHFFFAOYSA-N -1 0 348.358 3.753 20 0 EHADRM COc1cc2c(cc1NC(=O)[C@@H](C)CC(=O)[O-])oc1ccccc12 ZINC000832102523 602079035 /nfs/dbraw/zinc/07/90/35/602079035.db2.gz FSNMDJIAVLRTTK-JTQLQIEISA-N -1 0 327.336 3.644 20 0 EHADRM O=C([O-])[C@H](OC(=O)CSC(F)F)c1cc(Cl)cc(Cl)c1 ZINC000833114986 602082318 /nfs/dbraw/zinc/08/23/18/602082318.db2.gz RHJFBXGRPWMCMY-SECBINFHSA-N -1 0 345.150 3.618 20 0 EHADRM Cc1coc(-c2cc(NC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)ccc2C)n1 ZINC000832987310 602083129 /nfs/dbraw/zinc/08/31/29/602083129.db2.gz DUBLPBLGDLFZDQ-KGLIPLIRSA-N -1 0 342.395 3.788 20 0 EHADRM Cc1nc([C@H](C)OC(=O)[C@H]2C[C@H]2C(=O)[O-])oc1-c1ccc(Cl)cc1 ZINC000832994688 602086123 /nfs/dbraw/zinc/08/61/23/602086123.db2.gz WTVBMWRYLUFRRM-BIMULSAOSA-N -1 0 349.770 3.628 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)NCCCCCCCC(=O)[O-] ZINC000828185601 602093137 /nfs/dbraw/zinc/09/31/37/602093137.db2.gz ZJXCLGKPZHFYGW-SJLPKXTDSA-N -1 0 346.471 3.999 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N2CCOC3(C2)CCCCCC3)cc1 ZINC000833290577 602095320 /nfs/dbraw/zinc/09/53/20/602095320.db2.gz UMFPPUQSLMTAQZ-UHFFFAOYSA-N -1 0 347.415 3.734 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)CO2 ZINC000832961461 602104494 /nfs/dbraw/zinc/10/44/94/602104494.db2.gz BJSPNIFULKXTCR-AWEZNQCLSA-N -1 0 346.770 3.602 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000827256617 602106618 /nfs/dbraw/zinc/10/66/18/602106618.db2.gz JLIITARIPCJHLS-TVQRCGJNSA-N -1 0 330.211 3.768 20 0 EHADRM Cc1ccc(NC(=O)N2CCOC3(C2)CCCCCC3)cc1C(=O)[O-] ZINC000832947502 602108134 /nfs/dbraw/zinc/10/81/34/602108134.db2.gz YHYWTSNQVNUWOH-UHFFFAOYSA-N -1 0 346.427 3.650 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N[C@@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000827273808 602108692 /nfs/dbraw/zinc/10/86/92/602108692.db2.gz UHGJFOIUOCZXGO-OLZOCXBDSA-N -1 0 345.370 3.906 20 0 EHADRM CCC[C@@](C)(NC(=O)[O-])C(=O)N(CC)Cc1ccc(Cl)s1 ZINC000739288763 602114426 /nfs/dbraw/zinc/11/44/26/602114426.db2.gz GVHGREDNNSTOQL-CQSZACIVSA-N -1 0 332.853 3.576 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000829009737 602137801 /nfs/dbraw/zinc/13/78/01/602137801.db2.gz NRVOLKLNEADZGC-OAHLLOKOSA-N -1 0 338.379 3.982 20 0 EHADRM Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)[C@H](C)CC(=O)[O-])cc1 ZINC000832909588 602147108 /nfs/dbraw/zinc/14/71/08/602147108.db2.gz PIOYAMLNRUDZID-CYBMUJFWSA-N -1 0 343.427 3.528 20 0 EHADRM COCCC1(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CCCC1 ZINC000262251306 602152409 /nfs/dbraw/zinc/15/24/09/602152409.db2.gz XVHKJIFGNWSNOZ-UHFFFAOYSA-N -1 0 333.428 3.584 20 0 EHADRM CCCC1(C(=O)Nc2cc(C(=O)[O-])c(F)cc2Br)CC1 ZINC000829230514 602152904 /nfs/dbraw/zinc/15/29/04/602152904.db2.gz KMULKXMRIJIWOD-UHFFFAOYSA-N -1 0 344.180 3.805 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000827317129 602167729 /nfs/dbraw/zinc/16/77/29/602167729.db2.gz IPBNFAZLSLCPMF-SSDOTTSWSA-N -1 0 337.775 3.747 20 0 EHADRM CCC[C@H](Cc1ccccc1)NC(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000739301997 602170299 /nfs/dbraw/zinc/17/02/99/602170299.db2.gz CWIOSHMPYSSVAJ-GOSISDBHSA-N -1 0 340.423 3.847 20 0 EHADRM COc1cc(OC)cc([C@@H](Nc2ccc(CSC)cc2)C(=O)[O-])c1 ZINC000832065051 602170354 /nfs/dbraw/zinc/17/03/54/602170354.db2.gz GQAFQVCSODXOST-QGZVFWFLSA-N -1 0 347.436 3.805 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(-c2ccco2)s1)c1ccccc1 ZINC000833199415 602173871 /nfs/dbraw/zinc/17/38/71/602173871.db2.gz XYQAYQQYUSRKRP-ZDUSSCGKSA-N -1 0 341.388 3.954 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)c1cc(F)c(F)c(F)c1F ZINC000740714911 602176693 /nfs/dbraw/zinc/17/66/93/602176693.db2.gz CAGZMIUBRWQNLH-UHFFFAOYSA-N -1 0 328.221 3.585 20 0 EHADRM COc1ccc2oc(C)c(C(=O)Nc3cc(C(=O)[O-])cs3)c2c1 ZINC000762126862 602186058 /nfs/dbraw/zinc/18/60/58/602186058.db2.gz NBWVAATUZPLNJM-UHFFFAOYSA-N -1 0 331.349 3.762 20 0 EHADRM O=C([O-])c1csc(NC(=O)COc2cc(Cl)ccc2Cl)c1 ZINC000191379611 602186460 /nfs/dbraw/zinc/18/64/60/602186460.db2.gz LZYPHYNZYPPJPV-UHFFFAOYSA-N -1 0 346.191 3.771 20 0 EHADRM CCOc1ccc(SCC(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000581644542 602189131 /nfs/dbraw/zinc/18/91/31/602189131.db2.gz OTNOJCIZESMIRS-UHFFFAOYSA-N -1 0 337.422 3.576 20 0 EHADRM CC1(C)C[C@H](NC(=O)c2cccc(NC(=O)[O-])c2)c2ccccc2O1 ZINC000828055725 602197883 /nfs/dbraw/zinc/19/78/83/602197883.db2.gz JEFQCJLOZXZWID-HNNXBMFYSA-N -1 0 340.379 3.809 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000740214782 602200383 /nfs/dbraw/zinc/20/03/83/602200383.db2.gz MZMJRYHQODOENG-UHFFFAOYSA-N -1 0 333.413 3.595 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)NCC(C)(C)[C@@H]2CCCCO2)cc1 ZINC000830513719 602201362 /nfs/dbraw/zinc/20/13/62/602201362.db2.gz GUFHRHVVDQAFAZ-HNNXBMFYSA-N -1 0 349.431 3.518 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)c2cc3c(s2)CCCC3)c1 ZINC000740680299 602204592 /nfs/dbraw/zinc/20/45/92/602204592.db2.gz LHXQWUZCSFYJPB-UHFFFAOYSA-N -1 0 330.409 3.647 20 0 EHADRM CCN(CC1CC1)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000829686987 602222293 /nfs/dbraw/zinc/22/22/93/602222293.db2.gz CUFWFTCHWWMOHP-UHFFFAOYSA-N -1 0 342.395 3.567 20 0 EHADRM CN(C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12)C1CCCC1 ZINC000830507825 602224826 /nfs/dbraw/zinc/22/48/26/602224826.db2.gz PQTVPTLMWCOWPN-UHFFFAOYSA-N -1 0 342.395 3.710 20 0 EHADRM CC(C)C(C)(C)NC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000826676305 602228744 /nfs/dbraw/zinc/22/87/44/602228744.db2.gz FGFMLQVZQWLNHX-UHFFFAOYSA-N -1 0 344.411 3.859 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)Nc1ccc(Cl)cn1)c1ccccc1 ZINC000826103002 602234037 /nfs/dbraw/zinc/23/40/37/602234037.db2.gz LSURLAVOZCGLOT-AWEZNQCLSA-N -1 0 347.802 3.709 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)Nc1ccccc1F)c1ccccc1 ZINC000826102697 602235411 /nfs/dbraw/zinc/23/54/11/602235411.db2.gz GEFRYTNSOHIJSK-OAHLLOKOSA-N -1 0 330.359 3.799 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000738945743 602238352 /nfs/dbraw/zinc/23/83/52/602238352.db2.gz SRRGGILKYYNFQO-LBPRGKRZSA-N -1 0 342.370 3.684 20 0 EHADRM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCO[C@H](c2ccsc2)C1 ZINC000576352658 602240631 /nfs/dbraw/zinc/24/06/31/602240631.db2.gz BMDKHFYIOZWHCS-GJZGRUSLSA-N -1 0 337.828 3.601 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)Cc3c(F)cccc3Cl)ccc21 ZINC000740380534 602243421 /nfs/dbraw/zinc/24/34/21/602243421.db2.gz KYEOJEASXZHVGN-UHFFFAOYSA-N -1 0 348.761 3.701 20 0 EHADRM CSc1ccccc1C(=O)N1CCN(C(=O)[O-])Cc2ccccc21 ZINC000740022702 602245437 /nfs/dbraw/zinc/24/54/37/602245437.db2.gz KSHLGSSVKPUCTC-UHFFFAOYSA-N -1 0 342.420 3.549 20 0 EHADRM O=C([O-])c1cccc(COC(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000833329117 602255085 /nfs/dbraw/zinc/25/50/85/602255085.db2.gz BNRZZXYEONMYHB-UHFFFAOYSA-N -1 0 342.244 3.900 20 0 EHADRM CC[C@H](OC(=O)[C@@H](C)CC(=O)[O-])c1ccc(Br)cc1 ZINC000829004540 602258961 /nfs/dbraw/zinc/25/89/61/602258961.db2.gz LABXYLAJUVNACA-CABZTGNLSA-N -1 0 329.190 3.554 20 0 EHADRM CC(C)c1ccc([C@@H](NC(=O)CCNC(=O)[O-])c2cccs2)cc1 ZINC000736513692 602270627 /nfs/dbraw/zinc/27/06/27/602270627.db2.gz WNWHSKDLDGHSOW-QGZVFWFLSA-N -1 0 346.452 3.735 20 0 EHADRM CCC(=O)c1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000828574401 602270959 /nfs/dbraw/zinc/27/09/59/602270959.db2.gz PHUMILIDDAUADG-INIZCTEOSA-N -1 0 346.766 3.915 20 0 EHADRM CC(C)Sc1ccccc1NC(=O)NCc1ccc(C(=O)[O-])o1 ZINC000827073140 602281846 /nfs/dbraw/zinc/28/18/46/602281846.db2.gz QLXWKXOWTCOXBT-UHFFFAOYSA-N -1 0 334.397 3.800 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)Nc1nc(-c2ccc(F)c(Cl)c2)cs1 ZINC000827324656 602294681 /nfs/dbraw/zinc/29/46/81/602294681.db2.gz IYMRYRPHJCXUCG-ZETCQYMHSA-N -1 0 342.779 3.652 20 0 EHADRM O=C([O-])c1ccc(NCc2nc(-c3cccc(Cl)c3)no2)cc1F ZINC000833320829 602302682 /nfs/dbraw/zinc/30/26/82/602302682.db2.gz PFGHBAZLDOMLOA-UHFFFAOYSA-N -1 0 347.733 3.839 20 0 EHADRM CCCC1(C(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)CCC1 ZINC000829238307 602312533 /nfs/dbraw/zinc/31/25/33/602312533.db2.gz RTEJZJHQUDVQAH-UHFFFAOYSA-N -1 0 333.413 3.745 20 0 EHADRM O=C([O-])CC1CCN(c2ccc3cccc(Br)c3n2)CC1 ZINC000833214484 602315333 /nfs/dbraw/zinc/31/53/33/602315333.db2.gz LSLGOBNUNSHMJV-UHFFFAOYSA-N -1 0 349.228 3.688 20 0 EHADRM CN(C(=O)c1ccc(Oc2ccccc2)o1)c1ncc(C(=O)[O-])s1 ZINC000830528161 602337430 /nfs/dbraw/zinc/33/74/30/602337430.db2.gz IBJCPFKULGUYPI-UHFFFAOYSA-N -1 0 344.348 3.503 20 0 EHADRM CC[C@H](CC(=O)N1CCCC[C@H]1[C@@H](C)NC(=O)[O-])c1ccccc1 ZINC000739249972 602338517 /nfs/dbraw/zinc/33/85/17/602338517.db2.gz PZTLSKZRUPUYFY-INMHGKMJSA-N -1 0 332.444 3.608 20 0 EHADRM Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000767199071 602353312 /nfs/dbraw/zinc/35/33/12/602353312.db2.gz DXHQJSDYXQRVJY-UHFFFAOYSA-N -1 0 342.301 3.772 20 0 EHADRM Cc1cccc(OCCC(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1C ZINC000325701612 602353531 /nfs/dbraw/zinc/35/35/31/602353531.db2.gz BMWYLNLXUDBGSQ-UHFFFAOYSA-N -1 0 331.343 3.548 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)cc1F ZINC000767206572 602355071 /nfs/dbraw/zinc/35/50/71/602355071.db2.gz TZHWWNXRWSASKW-UONOGXRCSA-N -1 0 333.746 3.920 20 0 EHADRM C[C@H](NC(=O)Nc1cc(C(=O)[O-])n(C)c1)c1cc2ccccc2s1 ZINC000827671034 602359037 /nfs/dbraw/zinc/35/90/37/602359037.db2.gz BKTZSFKJFAHLHP-JTQLQIEISA-N -1 0 343.408 3.821 20 0 EHADRM Cc1oc(-c2cccs2)nc1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000767200476 602359324 /nfs/dbraw/zinc/35/93/24/602359324.db2.gz AWMGNSLQNSDCPO-UHFFFAOYSA-N -1 0 346.339 3.801 20 0 EHADRM C[C@H]1CN(C(=O)c2cc3ccccc3cc2NC(=O)[O-])CCS1 ZINC000739164791 602361804 /nfs/dbraw/zinc/36/18/04/602361804.db2.gz KKBPIORWIRGXCO-NSHDSACASA-N -1 0 330.409 3.507 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1F ZINC000833154134 602369662 /nfs/dbraw/zinc/36/96/62/602369662.db2.gz RITXJUUQCFSIAQ-DTWKUNHWSA-N -1 0 348.296 3.767 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCc3c(Cl)cccc3C2)cc1F ZINC000833319009 602371059 /nfs/dbraw/zinc/37/10/59/602371059.db2.gz BMGQBTXARTYEQV-UHFFFAOYSA-N -1 0 348.761 3.768 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1C ZINC000832928228 602375036 /nfs/dbraw/zinc/37/50/36/602375036.db2.gz PDIOGSRQCCLFAB-INIZCTEOSA-N -1 0 341.411 3.709 20 0 EHADRM CCC[C@H](NC(=O)[O-])C(=O)N(C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000739301921 602381191 /nfs/dbraw/zinc/38/11/91/602381191.db2.gz HLGWONFUGSRKDB-GWCFXTLKSA-N -1 0 346.349 3.661 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCCc2cc3ccccc3o2)cc1F ZINC000833146004 602383309 /nfs/dbraw/zinc/38/33/09/602383309.db2.gz XXHNGYPMIOHJFZ-UHFFFAOYSA-N -1 0 342.326 3.634 20 0 EHADRM CCOc1ccc([C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000830064819 602384219 /nfs/dbraw/zinc/38/42/19/602384219.db2.gz XGKCQGIDNFSKJP-LLVKDONJSA-N -1 0 346.358 3.805 20 0 EHADRM C[C@@H](c1ccco1)N(C(=O)Nc1ccc(C(=O)[O-])c(F)c1)C1CC1 ZINC000827956538 602385597 /nfs/dbraw/zinc/38/55/97/602385597.db2.gz HXLDXLUBCPNCPD-JTQLQIEISA-N -1 0 332.331 3.874 20 0 EHADRM CCN(C(=O)Nc1ccc(C(=O)[O-])c(F)c1)[C@@H](C)c1cccnc1 ZINC000829598071 602389217 /nfs/dbraw/zinc/38/92/17/602389217.db2.gz YWNARRCBUGDZBD-NSHDSACASA-N -1 0 331.347 3.534 20 0 EHADRM C[C@@]1(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CCc2ccccc2C1 ZINC000827975735 602394132 /nfs/dbraw/zinc/39/41/32/602394132.db2.gz DDFARSWALYDCRK-LJQANCHMSA-N -1 0 327.355 3.658 20 0 EHADRM C[C@@H](NC(=O)[O-])C1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000739011127 602404710 /nfs/dbraw/zinc/40/47/10/602404710.db2.gz VXDYFLWTQDUECU-SECBINFHSA-N -1 0 345.226 3.502 20 0 EHADRM CC(C)[C@H](CC(=O)N1CCC([C@H](C)NC(=O)[O-])CC1)c1ccccc1 ZINC000738772245 602406207 /nfs/dbraw/zinc/40/62/07/602406207.db2.gz DLYOUZKSGJBMAN-YJBOKZPZSA-N -1 0 346.471 3.711 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(CCc2cccc(Cl)c2)n1 ZINC000738822406 602409828 /nfs/dbraw/zinc/40/98/28/602409828.db2.gz IVQIWFHNIMVXNQ-ZDUSSCGKSA-N -1 0 337.807 3.863 20 0 EHADRM CCSc1cc(-c2nc([C@@H](CC(C)C)NC(=O)[O-])no2)ccn1 ZINC000739519797 602410424 /nfs/dbraw/zinc/41/04/24/602410424.db2.gz XZBXZPLNFLYJGA-LLVKDONJSA-N -1 0 336.417 3.598 20 0 EHADRM Cc1ccc(SCc2nc(C3(NC(=O)[O-])CCCC3)no2)cc1 ZINC000740152840 602411529 /nfs/dbraw/zinc/41/15/29/602411529.db2.gz OBJMKVDNLFENPH-UHFFFAOYSA-N -1 0 333.413 3.707 20 0 EHADRM Cc1ccc(-c2nc(CN3CCC([C@H](C)NC(=O)[O-])CC3)cs2)o1 ZINC000740092509 602448561 /nfs/dbraw/zinc/44/85/61/602448561.db2.gz JSIYCIPLHWIYEY-LBPRGKRZSA-N -1 0 349.456 3.580 20 0 EHADRM Cc1ccc(CNC(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)cc1F ZINC000740125294 602455905 /nfs/dbraw/zinc/45/59/05/602455905.db2.gz BQAJQMISEYHULT-QGZVFWFLSA-N -1 0 344.386 3.539 20 0 EHADRM CCc1ccccc1NC(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000739548370 602456376 /nfs/dbraw/zinc/45/63/76/602456376.db2.gz QXZBTWCLVUBWQP-KRWDZBQOSA-N -1 0 326.396 3.977 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)N1CC[C@H]1c1ccccc1)c1ccccc1 ZINC000740541556 602460197 /nfs/dbraw/zinc/46/01/97/602460197.db2.gz ZTPLUBONFBNZRR-ROUUACIJSA-N -1 0 338.407 3.749 20 0 EHADRM C[C@H]1c2ccccc2CCN1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000736840025 602470421 /nfs/dbraw/zinc/47/04/21/602470421.db2.gz JBDHNYGQNAHAND-LBPRGKRZSA-N -1 0 325.368 3.928 20 0 EHADRM CN(C(=O)c1ccc(F)c(NC(=O)[O-])c1)[C@@H]1CCc2ccccc21 ZINC000739593534 602483237 /nfs/dbraw/zinc/48/32/37/602483237.db2.gz OTFCZTCLIQBWBY-MRXNPFEDSA-N -1 0 328.343 3.675 20 0 EHADRM C[C@H](NC(=O)c1ccc(F)c(NC(=O)[O-])c1)c1cc(F)ccc1F ZINC000739024123 602483906 /nfs/dbraw/zinc/48/39/06/602483906.db2.gz ONKZRIRAURPJGZ-QMMMGPOBSA-N -1 0 338.285 3.685 20 0 EHADRM C[C@H](NC(=O)c1ccc(F)c(NC(=O)[O-])c1)c1c(F)cccc1F ZINC000739023396 602483995 /nfs/dbraw/zinc/48/39/95/602483995.db2.gz MBIXYMBZZHVATQ-QMMMGPOBSA-N -1 0 338.285 3.685 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)c2sccc2SC)c1 ZINC000739918887 602485550 /nfs/dbraw/zinc/48/55/50/602485550.db2.gz YONNMUIWUVRFLW-UHFFFAOYSA-N -1 0 338.410 3.821 20 0 EHADRM O=C([O-])N1CCc2ccc(NC(=O)c3cccc(C(F)F)c3)cc2C1 ZINC000740465750 602488199 /nfs/dbraw/zinc/48/81/99/602488199.db2.gz JVTGTKPONUMRGR-UHFFFAOYSA-N -1 0 346.333 3.913 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2cccc(-c3cc[nH]n3)c2)ccc1F ZINC000740699787 602499100 /nfs/dbraw/zinc/49/91/00/602499100.db2.gz WSLPJSWXUFENFH-UHFFFAOYSA-N -1 0 340.314 3.558 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000740711790 602499719 /nfs/dbraw/zinc/49/97/19/602499719.db2.gz DHSWWVBJNLCRDV-UHFFFAOYSA-N -1 0 340.257 3.927 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)C2(c3ccc(F)cc3)CCC2)cc1 ZINC000740707261 602501736 /nfs/dbraw/zinc/50/17/36/602501736.db2.gz FLMZUTXVHHCWPJ-UHFFFAOYSA-N -1 0 328.343 3.976 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(NC(=O)[O-])cc2)nn1-c1ccccc1 ZINC000740059401 602503101 /nfs/dbraw/zinc/50/31/01/602503101.db2.gz RMHJJGFPPLMZRC-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM Cc1ccc(F)cc1C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000740130615 602507828 /nfs/dbraw/zinc/50/78/28/602507828.db2.gz ZIILOUNMXJVCKG-UHFFFAOYSA-N -1 0 328.343 3.817 20 0 EHADRM CN(C)c1ccc([C@@H]2C[C@H]2C(=O)Nc2ccccc2NC(=O)[O-])cc1 ZINC000739616430 602512537 /nfs/dbraw/zinc/51/25/37/602512537.db2.gz CCSDCTLNGXFHTA-LSDHHAIUSA-N -1 0 339.395 3.585 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)Nc1ccccc1NC(=O)[O-] ZINC000739971926 602512572 /nfs/dbraw/zinc/51/25/72/602512572.db2.gz PBYUZUSWVAWDQQ-ZDUSSCGKSA-N -1 0 342.395 3.993 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)c2sccc2-n2cccc2)c1 ZINC000740678283 602514865 /nfs/dbraw/zinc/51/48/65/602514865.db2.gz CKADFQMTBFGUAC-UHFFFAOYSA-N -1 0 341.392 3.559 20 0 EHADRM CC[C@H]1CN(C(=O)c2cc3ccccc3cc2NC(=O)[O-])C[C@H](C)O1 ZINC000739277975 602538144 /nfs/dbraw/zinc/53/81/44/602538144.db2.gz HWJVCHTUNGVJEQ-WFASDCNBSA-N -1 0 342.395 3.569 20 0 EHADRM Cc1ccc(C)c(NC(=O)N2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)c1 ZINC000740116741 602579519 /nfs/dbraw/zinc/57/95/19/602579519.db2.gz XQBGMGGOVOQAOP-NVXWUHKLSA-N -1 0 345.443 3.690 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)cc1F ZINC000740142127 602581030 /nfs/dbraw/zinc/58/10/30/602581030.db2.gz VDFUVTUTBLFPNK-XJKSGUPXSA-N -1 0 349.406 3.520 20 0 EHADRM CCN(CCc1ccccc1)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739440043 602600699 /nfs/dbraw/zinc/60/06/99/602600699.db2.gz RFCPLLYTCVGPJS-UHFFFAOYSA-N -1 0 327.384 3.873 20 0 EHADRM C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])CC1 ZINC000739107709 602605093 /nfs/dbraw/zinc/60/50/93/602605093.db2.gz UUODLDFOWXLAJQ-CYBMUJFWSA-N -1 0 331.416 3.771 20 0 EHADRM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000736823149 602605823 /nfs/dbraw/zinc/60/58/23/602605823.db2.gz ARJOIRCFFAJRHP-BDJLRTHQSA-N -1 0 325.368 3.832 20 0 EHADRM Cc1ccc(CNC(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])s1 ZINC000740129130 602606259 /nfs/dbraw/zinc/60/62/59/602606259.db2.gz GOPDOFMVJMUGIM-UHFFFAOYSA-N -1 0 345.424 3.809 20 0 EHADRM CC[C@H]1CCCN(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])C1 ZINC000739275145 602606850 /nfs/dbraw/zinc/60/68/50/602606850.db2.gz ZWPCMOAKGOQGHI-ZDUSSCGKSA-N -1 0 331.416 3.771 20 0 EHADRM O=C([O-])N1CCC[C@H](CCNC(=O)c2cc(Cl)ccc2Cl)C1 ZINC000740424485 602635156 /nfs/dbraw/zinc/63/51/56/602635156.db2.gz HPAIEXMJUOMZCX-SNVBAGLBSA-N -1 0 345.226 3.503 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(NC(=O)[O-])cc2C(F)(F)F)cn1 ZINC000740107804 602643622 /nfs/dbraw/zinc/64/36/22/602643622.db2.gz OYSGNGSZTIHGJF-UHFFFAOYSA-N -1 0 339.273 3.751 20 0 EHADRM C[C@@H](C(=O)Nc1cccc(CN(C)C(=O)[O-])c1)c1ccccc1F ZINC000738630086 602684383 /nfs/dbraw/zinc/68/43/83/602684383.db2.gz JHCIORGHIDTISW-GFCCVEGCSA-N -1 0 330.359 3.678 20 0 EHADRM O=C([O-])N1CC[C@H](CCNC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000740426464 602689837 /nfs/dbraw/zinc/68/98/37/602689837.db2.gz JSDXCKKXKFPFGU-VIFPVBQESA-N -1 0 346.214 3.505 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000740714621 602696099 /nfs/dbraw/zinc/69/60/99/602696099.db2.gz VNBNCXAPFNTGTP-MNOVXSKESA-N -1 0 332.306 3.797 20 0 EHADRM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)C1CCC(NC(=O)[O-])CC1 ZINC000740183189 602717132 /nfs/dbraw/zinc/71/71/32/602717132.db2.gz NKYXVCSTDJKWJC-LEOMRAHMSA-N -1 0 346.471 3.977 20 0 EHADRM C[C@H](CC(=O)Oc1cccc(CNC(=O)[O-])c1)c1ccc(F)cc1 ZINC000738894872 602730412 /nfs/dbraw/zinc/73/04/12/602730412.db2.gz JCRPHJGBFPTWOW-GFCCVEGCSA-N -1 0 331.343 3.693 20 0 EHADRM C[C@@H]1CCC[C@H](OCC(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])C1 ZINC000739094911 602732172 /nfs/dbraw/zinc/73/21/72/602732172.db2.gz ITJWFJLDSGPZNT-CJNGLKHVSA-N -1 0 346.427 3.651 20 0 EHADRM COc1cc(NC(=O)NC/C=C\c2ccccc2)ccc1NC(=O)[O-] ZINC000739872135 602739614 /nfs/dbraw/zinc/73/96/14/602739614.db2.gz SXKKFYZIVATUJT-YVMONPNESA-N -1 0 341.367 3.620 20 0 EHADRM CC(C)CC[C@@H](NC(=O)C1CCC(NC(=O)[O-])CC1)C(C)(C)C ZINC000738821016 602767537 /nfs/dbraw/zinc/76/75/37/602767537.db2.gz UKVKGNXMKTYETI-YMAMQOFZSA-N -1 0 326.481 3.780 20 0 EHADRM CCN(Cc1cccc(Cl)c1)C(=O)CCC(C)(C)NC(=O)[O-] ZINC000739440487 602789003 /nfs/dbraw/zinc/78/90/03/602789003.db2.gz AFYSGGOSDBRMNC-UHFFFAOYSA-N -1 0 326.824 3.515 20 0 EHADRM O=C([O-])N1CCC[C@@H]1[C@H]1CCCN(C(=O)CCCC2CCCC2)C1 ZINC000831427460 602789515 /nfs/dbraw/zinc/78/95/15/602789515.db2.gz CXTADSINPPZGKQ-DLBZAZTESA-N -1 0 336.476 3.728 20 0 EHADRM CC[C@H](CC(=O)N[C@@H](C)[C@H]1CCCN(C(=O)[O-])C1)c1ccc(C)cc1 ZINC000739248134 602800483 /nfs/dbraw/zinc/80/04/83/602800483.db2.gz CIJUQHYOHVLBPV-JZXOWHBKSA-N -1 0 346.471 3.773 20 0 EHADRM CCOCc1cccc(NC(=O)c2ccc(C)c(NC(=O)[O-])c2)c1 ZINC000827409541 602813760 /nfs/dbraw/zinc/81/37/60/602813760.db2.gz POXVTIXZQVYNFN-UHFFFAOYSA-N -1 0 328.368 3.874 20 0 EHADRM C[C@H](CNC(=O)c1ccc(NC(=O)[O-])cc1)Oc1cccc(Cl)c1 ZINC000736605388 602817105 /nfs/dbraw/zinc/81/71/05/602817105.db2.gz DVKGEFAYTOIPEI-LLVKDONJSA-N -1 0 348.786 3.627 20 0 EHADRM Cc1csc(CCCCNC(=O)c2ccc(C)c(NC(=O)[O-])c2)n1 ZINC000830660726 602823714 /nfs/dbraw/zinc/82/37/14/602823714.db2.gz NKWHZYLFHHFWLN-UHFFFAOYSA-N -1 0 347.440 3.603 20 0 EHADRM CC(C)(CCC(=O)N1CCC[C@@H]1c1ccccc1Cl)NC(=O)[O-] ZINC000738738116 602825143 /nfs/dbraw/zinc/82/51/43/602825143.db2.gz CQOULZFCEZEJCI-CQSZACIVSA-N -1 0 338.835 3.830 20 0 EHADRM CC(C)CC[C@H](NC(=O)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1)C(C)(C)C ZINC000738818371 602836346 /nfs/dbraw/zinc/83/63/46/602836346.db2.gz GPKCYRKSBXUBGY-KFWWJZLASA-N -1 0 341.496 3.525 20 0 EHADRM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)C2CCC(NC(=O)[O-])CC2)C1 ZINC000740181774 602842152 /nfs/dbraw/zinc/84/21/52/602842152.db2.gz SPAOXUMPXGGSTJ-SOEBMCCKSA-N -1 0 344.455 3.526 20 0 EHADRM Cc1ccc(N(C)C(=O)CCCCCCNC(=O)[O-])cc1Cl ZINC000740130482 602850793 /nfs/dbraw/zinc/85/07/93/602850793.db2.gz XHWXLPNEEBIZBQ-UHFFFAOYSA-N -1 0 326.824 3.829 20 0 EHADRM CC(C)Oc1ccc(NC(=O)c2ccc(NC(=O)[O-])cc2O)cc1 ZINC000738865437 602850792 /nfs/dbraw/zinc/85/07/92/602850792.db2.gz QDYYLJZGPOEWCH-UHFFFAOYSA-N -1 0 330.340 3.522 20 0 EHADRM CCCCCc1ccc(NC(=O)N2CC[C@H](NC(=O)[O-])[C@@H](C)C2)cc1 ZINC000739327686 602910329 /nfs/dbraw/zinc/91/03/29/602910329.db2.gz WKPVCPLXDVRNGJ-YOEHRIQHSA-N -1 0 347.459 3.929 20 0 EHADRM Cc1c2ccccc2oc1[C@H](NC(=O)C[C@@H](C)NC(=O)[O-])C(C)C ZINC000829860375 602918850 /nfs/dbraw/zinc/91/88/50/602918850.db2.gz YERDBSCHAPPMKO-BDJLRTHQSA-N -1 0 332.400 3.601 20 0 EHADRM CCc1ccc([C@H](C)Cc2nc(C3(NC(=O)[O-])CCC3)no2)cc1 ZINC000739542319 602930002 /nfs/dbraw/zinc/93/00/02/602930002.db2.gz KIVPKWMLNDRDEC-GFCCVEGCSA-N -1 0 329.400 3.625 20 0 EHADRM COc1ccc(NC(=O)N2CCC[C@@H]2c2ccco2)cc1NC(=O)[O-] ZINC000739919490 602940440 /nfs/dbraw/zinc/94/04/40/602940440.db2.gz OWQLCORUMSKCGC-CYBMUJFWSA-N -1 0 345.355 3.747 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)N3CCC[C@@H]3c3ccco3)ccc21 ZINC000740529119 602943067 /nfs/dbraw/zinc/94/30/67/602943067.db2.gz HRVGMUXWIZNSGW-OAHLLOKOSA-N -1 0 341.367 3.689 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](c2ncccc2C)C(C)C)cc1NC(=O)[O-] ZINC000830204814 602943325 /nfs/dbraw/zinc/94/33/25/602943325.db2.gz JBPDWVAPVTUBME-MRXNPFEDSA-N -1 0 341.411 3.915 20 0 EHADRM Cc1ccc(C(=O)NC[C@@H]2CCCO[C@H]2C(C)(C)C)cc1NC(=O)[O-] ZINC000830217215 602961807 /nfs/dbraw/zinc/96/18/07/602961807.db2.gz SEXNRNKGGWGPMN-GOEBONIOSA-N -1 0 348.443 3.656 20 0 EHADRM COc1nc(C(=O)Oc2ccc(NC(=O)[O-])cc2)cc2ccccc21 ZINC000738131976 602962366 /nfs/dbraw/zinc/96/23/66/602962366.db2.gz KECINMAYLFETEK-UHFFFAOYSA-N -1 0 338.319 3.553 20 0 EHADRM COc1ccc(CCCC(=O)Oc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738091408 602966668 /nfs/dbraw/zinc/96/66/68/602966668.db2.gz TWKIOGQVAWASTL-UHFFFAOYSA-N -1 0 329.352 3.713 20 0 EHADRM CCc1ccc(C(=O)CCC(=O)Oc2ccc(NC(=O)[O-])cc2)cc1 ZINC000737898170 602967950 /nfs/dbraw/zinc/96/79/50/602967950.db2.gz OSNMQYICSTZXGR-UHFFFAOYSA-N -1 0 341.363 3.907 20 0 EHADRM CC(C)(CNC(=O)Cc1ccc(NC(=O)[O-])cc1)Cc1ccccc1 ZINC000738750657 602980106 /nfs/dbraw/zinc/98/01/06/602980106.db2.gz LEZZNTWJWFMGTJ-UHFFFAOYSA-N -1 0 340.423 3.704 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(-c2cc(-c3cccs3)[nH]n2)n1 ZINC000738818492 603001079 /nfs/dbraw/zinc/00/10/79/603001079.db2.gz YLJQIMZCTRUNAC-JTQLQIEISA-N -1 0 347.400 3.543 20 0 EHADRM C[C@H](NC(=O)CC(C)(C)NC(=O)[O-])c1cccc(Cl)c1Cl ZINC000738957997 603004543 /nfs/dbraw/zinc/00/45/43/603004543.db2.gz KXOYHZBQPRBLMD-QMMMGPOBSA-N -1 0 333.215 3.607 20 0 EHADRM O=C([O-])N[C@H](CNC(=O)c1csc2ccccc12)c1ccccc1 ZINC000740536564 603023749 /nfs/dbraw/zinc/02/37/49/603023749.db2.gz PWNPJPCALLGFRM-OAHLLOKOSA-N -1 0 340.404 3.640 20 0 EHADRM CCN(Cc1ccccc1NC(=O)c1cc(C(C)C)no1)C(=O)[O-] ZINC000739442874 603025149 /nfs/dbraw/zinc/02/51/49/603025149.db2.gz NTDPDDUKCFPWMQ-UHFFFAOYSA-N -1 0 331.372 3.550 20 0 EHADRM CCSc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[O-])c1 ZINC000739518723 603026295 /nfs/dbraw/zinc/02/62/95/603026295.db2.gz PYBONJRUPUMHFP-INIZCTEOSA-N -1 0 344.436 3.616 20 0 EHADRM CCSc1cccc(NC(=O)c2ccc(CNC(=O)[O-])cc2)c1 ZINC000739517929 603026545 /nfs/dbraw/zinc/02/65/45/603026545.db2.gz ASSNWFNWLNZVHI-UHFFFAOYSA-N -1 0 330.409 3.819 20 0 EHADRM C[C@@H](Cc1ccsc1)NC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000738948059 603032411 /nfs/dbraw/zinc/03/24/11/603032411.db2.gz JBKAVBQVLLUJJD-VIFPVBQESA-N -1 0 337.376 3.730 20 0 EHADRM CN(Cc1cccc(F)c1)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739707608 603037800 /nfs/dbraw/zinc/03/78/00/603037800.db2.gz VYVJSABPMBNLEZ-UHFFFAOYSA-N -1 0 335.310 3.719 20 0 EHADRM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)C2CCC(NC(=O)[O-])CC2)C1 ZINC000739082106 603038900 /nfs/dbraw/zinc/03/89/00/603038900.db2.gz LNCAFQPZSBQJPF-PSPNYPNSSA-N -1 0 348.418 3.562 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)CC1CCN(C(=O)[O-])CC1 ZINC000739258848 603044474 /nfs/dbraw/zinc/04/44/74/603044474.db2.gz XDVZTPHYZHIVOL-SFHVURJKSA-N -1 0 346.471 3.555 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc3ccccc3cc2NC(=O)[O-])C[C@H](C)S1 ZINC000826034785 603053450 /nfs/dbraw/zinc/05/34/50/603053450.db2.gz MFLVMLWVVGWZQU-TXEJJXNPSA-N -1 0 344.436 3.896 20 0 EHADRM CC(C)N(CCC(=O)N1C[C@H](C)C[C@H]1c1ccccc1F)C(=O)[O-] ZINC000825853111 603061372 /nfs/dbraw/zinc/06/13/72/603061372.db2.gz UBPSBAJWTWFYKY-CJNGLKHVSA-N -1 0 336.407 3.514 20 0 EHADRM O=C([O-])NC1CCC(Nc2ccc(C(F)(F)F)c(Cl)n2)CC1 ZINC000740559802 603083355 /nfs/dbraw/zinc/08/33/55/603083355.db2.gz LQZJLMAHMVIAJE-UHFFFAOYSA-N -1 0 337.729 3.745 20 0 EHADRM CC[C@@H]1c2ccccc2CCN1C(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000739279921 603103128 /nfs/dbraw/zinc/10/31/28/603103128.db2.gz PMXRNDDWQGXXPL-GOSISDBHSA-N -1 0 338.407 3.604 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NCC(=O)NC2CCCCCCC2)cc1 ZINC000739018048 603103916 /nfs/dbraw/zinc/10/39/16/603103916.db2.gz WJGBVJVEVCXYHY-CQSZACIVSA-N -1 0 347.459 3.656 20 0 EHADRM CCC[C@H](NC(=O)[O-])C(=O)Nc1cccc(Nc2ccccc2)c1 ZINC000739320709 603114378 /nfs/dbraw/zinc/11/43/78/603114378.db2.gz HJEIEZHOUHZNHF-INIZCTEOSA-N -1 0 327.384 3.805 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N2CCC[C@H]2CNC(=O)[O-])cc1 ZINC000824465156 603131317 /nfs/dbraw/zinc/13/13/17/603131317.db2.gz ZUCGNIIXCCIHCP-PBHICJAKSA-N -1 0 332.444 3.562 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NC2(c3cccc(F)c3)CC2)cc1 ZINC000738665022 603138616 /nfs/dbraw/zinc/13/86/16/603138616.db2.gz JZOJMLXFFMFFAJ-UHFFFAOYSA-N -1 0 329.331 3.726 20 0 EHADRM CC(C)CCc1ccccc1NC(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000738818745 603138660 /nfs/dbraw/zinc/13/86/60/603138660.db2.gz BTZFMXCDJUXFJY-UHFFFAOYSA-N -1 0 347.459 3.976 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)NC2(c3cccc(F)c3)CC2)c1 ZINC000740707449 603141596 /nfs/dbraw/zinc/14/15/96/603141596.db2.gz QNFUGMPXLLGSGP-UHFFFAOYSA-N -1 0 347.321 3.866 20 0 EHADRM CCN(Cc1cccc(NC(=O)NCc2ccccc2F)c1)C(=O)[O-] ZINC000739448835 603143561 /nfs/dbraw/zinc/14/35/61/603143561.db2.gz ZJTZEHQQAGLDOX-UHFFFAOYSA-N -1 0 345.374 3.647 20 0 EHADRM Cc1ccc(NC(=O)COc2ccc(NC(=O)[O-])cc2)c(Cl)c1 ZINC000738280389 603156702 /nfs/dbraw/zinc/15/67/02/603156702.db2.gz LPTJUONRHPTFMY-UHFFFAOYSA-N -1 0 334.759 3.756 20 0 EHADRM CN(C(=O)[O-])c1ccc(OCc2nnc(-c3cccc(F)c3)o2)cc1 ZINC000827921267 603159637 /nfs/dbraw/zinc/15/96/37/603159637.db2.gz JPNJGYFPLGYCIB-UHFFFAOYSA-N -1 0 343.314 3.569 20 0 EHADRM C[C@H](c1cc2ccccc2o1)N(C)C(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739053210 603163340 /nfs/dbraw/zinc/16/33/40/603163340.db2.gz KYRQLCWKTCGFNN-YUELXQCFSA-N -1 0 344.411 3.779 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)CO[C@@H]2CCCC[C@@H]2C)cc1 ZINC000825423393 603177075 /nfs/dbraw/zinc/17/70/75/603177075.db2.gz PXIVXSKKXQUUTE-HEHGZKQESA-N -1 0 334.416 3.549 20 0 EHADRM O=C([O-])N1CCc2c(cccc2NC(=O)c2sccc2C2CC2)C1 ZINC000740473404 603180108 /nfs/dbraw/zinc/18/01/08/603180108.db2.gz FMPDSHUOTJPWFC-UHFFFAOYSA-N -1 0 342.420 3.914 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(NC(=O)[O-])cc2)cc1OC(F)F ZINC000738291197 603180751 /nfs/dbraw/zinc/18/07/51/603180751.db2.gz BDRJJJZEOJVRAR-UHFFFAOYSA-N -1 0 336.294 3.939 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)/C=C/c2cccc(F)c2)cc1 ZINC000825418821 603184386 /nfs/dbraw/zinc/18/43/86/603184386.db2.gz XXOXZAUABPYRPX-SBKJXLNCSA-N -1 0 328.343 3.806 20 0 EHADRM CCn1c(C)cc(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)c1C ZINC000827687280 603191849 /nfs/dbraw/zinc/19/18/49/603191849.db2.gz CRWKWQWPCJFPEL-LBPRGKRZSA-N -1 0 329.400 3.706 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)Nc2ccc(F)cc2C(F)(F)F)C1 ZINC000740572366 603194237 /nfs/dbraw/zinc/19/42/37/603194237.db2.gz LPWSFNNJEDAJQC-SCZZXKLOSA-N -1 0 348.296 3.609 20 0 EHADRM Cc1cccc(O[C@H](C)C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)c1 ZINC000830522329 603194501 /nfs/dbraw/zinc/19/45/01/603194501.db2.gz PXMNZGHHQDUFDE-UONOGXRCSA-N -1 0 342.395 3.730 20 0 EHADRM CC(C)(C(=O)Nc1cc(NC(=O)[O-])ccc1F)c1cccc(F)c1 ZINC000738662394 603196066 /nfs/dbraw/zinc/19/60/66/603196066.db2.gz RMMDYYDVPFHUPY-UHFFFAOYSA-N -1 0 334.322 3.971 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2c(F)cccc2F)c(Cl)c1 ZINC000740700557 603201226 /nfs/dbraw/zinc/20/12/26/603201226.db2.gz QLOBHGCLSLHPNT-UHFFFAOYSA-N -1 0 326.686 3.960 20 0 EHADRM O=C([O-])N1CC[C@@H](C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000740457521 603208502 /nfs/dbraw/zinc/20/85/02/603208502.db2.gz NILUYBYDZSUBCD-ZCFIWIBFSA-N -1 0 337.590 3.585 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N[C@@H](C)c1ccccc1 ZINC000829174161 603210422 /nfs/dbraw/zinc/21/04/22/603210422.db2.gz QHJJVKLPABFARH-JTQLQIEISA-N -1 0 348.786 3.930 20 0 EHADRM CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1 ZINC000827348701 603214940 /nfs/dbraw/zinc/21/49/40/603214940.db2.gz CIRMIUASEGZPBQ-UHFFFAOYSA-N -1 0 342.351 3.514 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)Nc2ccc(CC(F)(F)F)cc2)C1 ZINC000740568411 603217138 /nfs/dbraw/zinc/21/71/38/603217138.db2.gz FMCKHPUDIYIYAZ-YPMHNXCESA-N -1 0 344.333 3.556 20 0 EHADRM CCc1ccc([C@@H]2CCCCN2C(=O)CCC(C)(C)NC(=O)[O-])o1 ZINC000739544608 603217806 /nfs/dbraw/zinc/21/78/06/603217806.db2.gz UBGQGWCCMJQCGQ-AWEZNQCLSA-N -1 0 336.432 3.722 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739088397 603224649 /nfs/dbraw/zinc/22/46/49/603224649.db2.gz ZXTXDJSLZFMMOV-SRIISGBFSA-N -1 0 344.455 3.606 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)c(Cl)c1 ZINC000740700532 603226041 /nfs/dbraw/zinc/22/60/41/603226041.db2.gz OLBUYFZVDYMIBV-UHFFFAOYSA-N -1 0 347.714 3.529 20 0 EHADRM COc1ccccc1NC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000829638186 603243726 /nfs/dbraw/zinc/24/37/26/603243726.db2.gz LZCONALEXCPSLN-NSHDSACASA-N -1 0 329.356 3.668 20 0 EHADRM CCc1cccc(C)c1NC(=O)N[C@H]1CCCC[C@H]1CNC(=O)[O-] ZINC000827594944 603245033 /nfs/dbraw/zinc/24/50/33/603245033.db2.gz JOGUUURPZJPBFZ-GJZGRUSLSA-N -1 0 333.432 3.505 20 0 EHADRM Cc1cccc(NC(=O)[C@@H](NC(=O)[O-])c2cccc(Cl)c2)c1C ZINC000740168341 603262910 /nfs/dbraw/zinc/26/29/10/603262910.db2.gz BVJZPQWQHORXRM-HNNXBMFYSA-N -1 0 332.787 3.904 20 0 EHADRM COc1ccc(NC(=O)N([C@@H](C)C2CC2)C2CC2)cc1NC(=O)[O-] ZINC000829461061 603270915 /nfs/dbraw/zinc/27/09/15/603270915.db2.gz TWBPRQJNKJLKHI-JTQLQIEISA-N -1 0 333.388 3.580 20 0 EHADRM COc1ccc(NC(=O)N2C[C@H](C)CCC[C@H]2C)cc1NC(=O)[O-] ZINC000829461121 603270938 /nfs/dbraw/zinc/27/09/38/603270938.db2.gz UEXXKEGNHFHSKJ-VXGBXAGGSA-N -1 0 335.404 3.828 20 0 EHADRM CSc1ccccc1NC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000829772012 603277651 /nfs/dbraw/zinc/27/76/51/603277651.db2.gz LHIBUHUICIUYRO-BLLLJJGKSA-N -1 0 344.436 3.992 20 0 EHADRM COc1ccc2c(c1)CCCN2C(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000829521836 603279420 /nfs/dbraw/zinc/27/94/20/603279420.db2.gz PRYQMSDVOAHADI-UHFFFAOYSA-N -1 0 340.379 3.687 20 0 EHADRM Cc1cc(CNC(=O)[O-])ccc1N(C(=O)/C=C\c1ccco1)C1CC1 ZINC000740077396 603297190 /nfs/dbraw/zinc/29/71/90/603297190.db2.gz TXEIWFDYTIRVDE-CLFYSBASSA-N -1 0 340.379 3.564 20 0 EHADRM Cc1cc(C(=O)N2CCCN(C(=O)[O-])c3ccccc32)c(C)s1 ZINC000740056701 603299555 /nfs/dbraw/zinc/29/95/55/603299555.db2.gz ZGUSCFAQJSDRAA-UHFFFAOYSA-N -1 0 330.409 3.900 20 0 EHADRM O=C([O-])N1CCC(N(C(=O)[C@H]2CC=CCC2)c2ccccc2F)CC1 ZINC000740499647 603300316 /nfs/dbraw/zinc/30/03/16/603300316.db2.gz BTTOMOYASQOWNX-AWEZNQCLSA-N -1 0 346.402 3.657 20 0 EHADRM O=C([O-])N1CCCN(C(=O)c2ccc(Cl)s2)c2ccccc21 ZINC000740516313 603300987 /nfs/dbraw/zinc/30/09/87/603300987.db2.gz XSZHSYXLRHWLFS-UHFFFAOYSA-N -1 0 336.800 3.936 20 0 EHADRM Cc1cccc(CN(C)C(=O)[C@@H](C)[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000830498005 603303199 /nfs/dbraw/zinc/30/31/99/603303199.db2.gz KLWRWEGOZFSKIC-YJBOKZPZSA-N -1 0 340.423 3.598 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)N[C@@H]3CC[C@H]4CCC[C@@H]4C3)ccc21 ZINC000831773233 603304376 /nfs/dbraw/zinc/30/43/76/603304376.db2.gz TXJJBYZYYNFKSH-UMVBOHGHSA-N -1 0 343.427 3.817 20 0 EHADRM C[C@H](c1cccs1)N(C)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739060445 603325132 /nfs/dbraw/zinc/32/51/32/603325132.db2.gz NTTHRIHVFMHQCR-LLVKDONJSA-N -1 0 333.413 3.741 20 0 EHADRM C[C@@H]1CCC[C@H](C)N(C(=O)Nc2cccc(CN(C)C(=O)[O-])c2)C1 ZINC000825887998 603336513 /nfs/dbraw/zinc/33/65/13/603336513.db2.gz NHCGDSUFBLIWLJ-KGLIPLIRSA-N -1 0 333.432 3.839 20 0 EHADRM Cc1ccc(C(=O)N2CCCc3cc(F)c(F)cc32)cc1NC(=O)[O-] ZINC000830192860 603356738 /nfs/dbraw/zinc/35/67/38/603356738.db2.gz PUNMBJBWMMQSQW-UHFFFAOYSA-N -1 0 346.333 3.956 20 0 EHADRM C[C@@H]1CN(C(=O)c2sccc2-c2ccccc2)CC[C@@H]1NC(=O)[O-] ZINC000739177567 603358136 /nfs/dbraw/zinc/35/81/36/603358136.db2.gz VRSXOCSZGCRBMF-DOMZBBRYSA-N -1 0 344.436 3.533 20 0 EHADRM CCc1cnc(NC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)s1 ZINC000827616468 603358322 /nfs/dbraw/zinc/35/83/22/603358322.db2.gz OKBFFAJEKQTTDC-VIFPVBQESA-N -1 0 334.401 3.678 20 0 EHADRM C[C@@H](Cc1ccsc1)NC(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000738942477 603364433 /nfs/dbraw/zinc/36/44/33/603364433.db2.gz DNPVUNDAJFWFAY-LBPRGKRZSA-N -1 0 347.440 3.611 20 0 EHADRM C[C@@H](Cc1nnc(SC[C@@H]2CCN(C(=O)[O-])C2)o1)c1ccccc1 ZINC000738945724 603371379 /nfs/dbraw/zinc/37/13/79/603371379.db2.gz OYBSGLHJILDBES-QWHCGFSZSA-N -1 0 347.440 3.508 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)cs1 ZINC000830709712 603374936 /nfs/dbraw/zinc/37/49/36/603374936.db2.gz PFVMLNVBNDWCQC-NXEZZACHSA-N -1 0 348.428 3.663 20 0 EHADRM CSCC[C@@H](C)N(C)C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000829721893 603375431 /nfs/dbraw/zinc/37/54/31/603375431.db2.gz GIZNJLPGPBJCJA-VXGBXAGGSA-N -1 0 339.461 3.621 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)NCCc2cccc(F)c2)cc1 ZINC000825433948 603378754 /nfs/dbraw/zinc/37/87/54/603378754.db2.gz IYWJSUWSVDHGQO-LBPRGKRZSA-N -1 0 345.374 3.519 20 0 EHADRM O=C([O-])N[C@H](CNC(=S)Nc1ccccc1Cl)c1ccccc1 ZINC000740537936 603379715 /nfs/dbraw/zinc/37/97/15/603379715.db2.gz VJROHXNQWCAYQX-CQSZACIVSA-N -1 0 349.843 3.635 20 0 EHADRM COc1cc(NC(=O)C(C)(C)c2cccs2)ccc1NC(=O)[O-] ZINC000739866650 603382556 /nfs/dbraw/zinc/38/25/56/603382556.db2.gz QNFWWKHRTIEENV-UHFFFAOYSA-N -1 0 334.397 3.763 20 0 EHADRM CCSCC[C@@H](C)NC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000827503762 603383131 /nfs/dbraw/zinc/38/31/31/603383131.db2.gz LZXOSSSAWFSXKV-NEPJUHHUSA-N -1 0 339.461 3.668 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N2CCC[C@@H]2C2CCC2)cc1 ZINC000825427408 603384133 /nfs/dbraw/zinc/38/41/33/603384133.db2.gz VDLYAFVNILPEPV-BLLLJJGKSA-N -1 0 331.416 3.812 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N(C)[C@H](C)c2ccccn2)cc1 ZINC000825423081 603385419 /nfs/dbraw/zinc/38/54/19/603385419.db2.gz NFDKHYBHRDNBHT-CHWSQXEVSA-N -1 0 342.399 3.635 20 0 EHADRM Cc1ccc(-c2noc([C@H](CNC(=O)[O-])c3ccccc3)n2)cc1F ZINC000830165040 603409319 /nfs/dbraw/zinc/40/93/19/603409319.db2.gz IZFSKXWRYZOGOH-CQSZACIVSA-N -1 0 341.342 3.584 20 0 EHADRM C[C@@H](C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])c1cccc(F)c1 ZINC000738630611 603409775 /nfs/dbraw/zinc/40/97/75/603409775.db2.gz LHVOFBRPHYAMNH-LLVKDONJSA-N -1 0 328.343 3.608 20 0 EHADRM C[C@@H](CCc1ccccc1F)c1nc(C2(NC(=O)[O-])CCC2)no1 ZINC000824815925 603418577 /nfs/dbraw/zinc/41/85/77/603418577.db2.gz CJMKTKSMLVWOHJ-NSHDSACASA-N -1 0 333.363 3.592 20 0 EHADRM O=C([O-])NC[C@@H](c1nc(-c2ccccc2Cl)no1)c1ccccc1 ZINC000832433662 603421210 /nfs/dbraw/zinc/42/12/10/603421210.db2.gz UAGAOKBCMJHEBB-CYBMUJFWSA-N -1 0 343.770 3.790 20 0 EHADRM Cc1cc(CNC(=O)[O-])ccc1N(C(=O)[C@H](C)c1ccco1)C1CC1 ZINC000740077429 603428723 /nfs/dbraw/zinc/42/87/23/603428723.db2.gz VJCYFQOMUQIRLQ-CYBMUJFWSA-N -1 0 342.395 3.655 20 0 EHADRM Cc1cc(C(=O)N2CCCN(C(=O)[O-])c3ccccc32)ccc1F ZINC000740055420 603429829 /nfs/dbraw/zinc/42/98/29/603429829.db2.gz KWMRUVAETOGHSF-UHFFFAOYSA-N -1 0 328.343 3.669 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)N1CCCN(C(=O)[O-])c2ccccc21 ZINC000738940540 603430630 /nfs/dbraw/zinc/43/06/30/603430630.db2.gz BEXMMPOZVPCIQZ-OAHLLOKOSA-N -1 0 338.407 3.787 20 0 EHADRM O=C([O-])N1CCCN(C(=O)c2cc3c(s2)CCC3)c2ccccc21 ZINC000740515714 603431075 /nfs/dbraw/zinc/43/10/75/603431075.db2.gz AYNBTGPVLXQCRQ-UHFFFAOYSA-N -1 0 342.420 3.772 20 0 EHADRM O=C([O-])N1CCCN(C(=O)Cc2cccc(Cl)c2)c2ccccc21 ZINC000740517532 603431463 /nfs/dbraw/zinc/43/14/63/603431463.db2.gz XWHLMQUXNXRBEY-UHFFFAOYSA-N -1 0 344.798 3.804 20 0 EHADRM O=C([O-])N[C@H]1CC[C@@H](C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000832285204 603452862 /nfs/dbraw/zinc/45/28/62/603452862.db2.gz DNYIPOVTNPEBCL-CJNGLKHVSA-N -1 0 336.391 3.633 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)Oc2cccc(NC(=O)[O-])c2)s1 ZINC000738240379 603477259 /nfs/dbraw/zinc/47/72/59/603477259.db2.gz OQOZTAZYICOINV-UHFFFAOYSA-N -1 0 343.307 3.967 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)N1CCC(NC(=O)[O-])CC1)C(C)(C)C ZINC000830555027 603489245 /nfs/dbraw/zinc/48/92/45/603489245.db2.gz QEXWTDVMJJYOIT-MRXNPFEDSA-N -1 0 347.459 3.524 20 0 EHADRM CCC[C@@H](NC(=O)[O-])C(=O)Nc1cccc(COC(C)(C)C)c1C ZINC000826757695 603517336 /nfs/dbraw/zinc/51/73/36/603517336.db2.gz HSEJDZWGVVEZQP-OAHLLOKOSA-N -1 0 336.432 3.685 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000827589317 603526714 /nfs/dbraw/zinc/52/67/14/603526714.db2.gz GNLBIEOILMLZPE-RYUDHWBXSA-N -1 0 338.835 3.840 20 0 EHADRM CC(=O)c1ccc(OC(=O)c2ccc(C)c(NC(=O)[O-])c2)c(F)c1 ZINC000823635909 603535308 /nfs/dbraw/zinc/53/53/08/603535308.db2.gz LGNRXVWZULWBDP-UHFFFAOYSA-N -1 0 331.299 3.646 20 0 EHADRM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(NC(=O)[O-])cc1O ZINC000825778340 603558385 /nfs/dbraw/zinc/55/83/85/603558385.db2.gz LTHWKHSYSDIWMH-SWLSCSKDSA-N -1 0 340.379 3.500 20 0 EHADRM O=C([O-])N1CCc2ccc(NC(=O)c3cccc4cnccc43)cc2C1 ZINC000831778873 603619126 /nfs/dbraw/zinc/61/91/26/603619126.db2.gz WUUOAEFEYYDNBD-UHFFFAOYSA-N -1 0 347.374 3.523 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)N(C)C2CCC(NC(=O)[O-])CC2)cc1C ZINC000830250749 603640497 /nfs/dbraw/zinc/64/04/97/603640497.db2.gz JQZXKYJTPCBYSR-OOHWJJMZSA-N -1 0 347.459 3.585 20 0 EHADRM COCc1ccc(-c2nc(-c3cccc(NC(=O)[O-])c3)no2)cc1 ZINC000829040054 603644391 /nfs/dbraw/zinc/64/43/91/603644391.db2.gz IAHZFFCCSGSOQJ-UHFFFAOYSA-N -1 0 325.324 3.640 20 0 EHADRM CC(C)(CNC(=O)c1cc(-c2ccccc2)ccc1Cl)NC(=O)[O-] ZINC000823998125 603653549 /nfs/dbraw/zinc/65/35/49/603653549.db2.gz ZGJXYNFKWHBEGA-UHFFFAOYSA-N -1 0 346.814 3.783 20 0 EHADRM COc1ccccc1-c1cccc(NC(=O)C(C)(C)CNC(=O)[O-])c1 ZINC000829579755 603668509 /nfs/dbraw/zinc/66/85/09/603668509.db2.gz DFJFCQSXFCCABT-UHFFFAOYSA-N -1 0 342.395 3.595 20 0 EHADRM C[C@H](CC(=O)Nc1ccccc1NC(=O)[O-])C(=O)c1cccc(F)c1 ZINC000824703819 603744179 /nfs/dbraw/zinc/74/41/79/603744179.db2.gz SAPLWIOVTNBYDP-LLVKDONJSA-N -1 0 344.342 3.763 20 0 EHADRM C[C@@H](CN(C)C(=O)[O-])c1noc(C2(c3ccc(Cl)cc3)CC2)n1 ZINC000824903053 603770071 /nfs/dbraw/zinc/77/00/71/603770071.db2.gz UKTOXSNUFWBOHO-JTQLQIEISA-N -1 0 335.791 3.516 20 0 EHADRM CCc1ccc(CC)c(NC(=O)N2CCC([C@@H](C)NC(=O)[O-])CC2)c1 ZINC000827584441 603814526 /nfs/dbraw/zinc/81/45/26/603814526.db2.gz SGCXZZDAIJKLQC-CYBMUJFWSA-N -1 0 347.459 3.711 20 0 EHADRM Cc1ccc(NC(=S)N(C)CC[C@@H](NC(=O)[O-])C(C)C)cc1C ZINC000830395140 603831619 /nfs/dbraw/zinc/83/16/19/603831619.db2.gz BUJFFNWMFJFPNI-OAHLLOKOSA-N -1 0 337.489 3.614 20 0 EHADRM CCN(Cc1ccccc1C)C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000827176905 603835549 /nfs/dbraw/zinc/83/55/49/603835549.db2.gz UGUQDVNYOQHXGM-ZNXRZULTSA-N -1 0 344.455 3.655 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])s1 ZINC000830250303 603857707 /nfs/dbraw/zinc/85/77/07/603857707.db2.gz AHIXGQPNZRFLDH-RLAWYHOSSA-N -1 0 336.457 3.545 20 0 EHADRM COc1ccc([C@@H](C)Cc2nc([C@@H](CC(C)C)NC(=O)[O-])no2)cc1 ZINC000829303316 603877704 /nfs/dbraw/zinc/87/77/04/603877704.db2.gz OHAGLWOBPNCTJZ-SWLSCSKDSA-N -1 0 347.415 3.779 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000830262311 603882073 /nfs/dbraw/zinc/88/20/73/603882073.db2.gz NGCHPVQDBGJZPV-CMPLNLGQSA-N -1 0 344.333 3.779 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NCC1(C(C)C)CC1 ZINC000829182473 603886290 /nfs/dbraw/zinc/88/62/90/603886290.db2.gz MSKRBEDRBHCIHU-UHFFFAOYSA-N -1 0 340.807 3.605 20 0 EHADRM O=C([O-])NC1(C(=O)Nc2ccc(CCC(F)(F)F)cc2)CCCC1 ZINC000832181114 603897224 /nfs/dbraw/zinc/89/72/24/603897224.db2.gz VDVLKNRWENAYMZ-UHFFFAOYSA-N -1 0 344.333 3.700 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCC(C3CCCC3)CC2)c(O)c1 ZINC000832829524 603935410 /nfs/dbraw/zinc/93/54/10/603935410.db2.gz UFXGXNVWPFTOCW-UHFFFAOYSA-N -1 0 332.400 3.525 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)CCCc1cccs1 ZINC000831427379 603946616 /nfs/dbraw/zinc/94/66/16/603946616.db2.gz BBFXYBTTYVNCQJ-UHFFFAOYSA-N -1 0 330.409 3.750 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)c1cc2c(s1)CCC2 ZINC000831793649 603947003 /nfs/dbraw/zinc/94/70/03/603947003.db2.gz OGFIZMHOXJRRRT-UHFFFAOYSA-N -1 0 328.393 3.530 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)Nc2ccc(-c3ccccc3)cc2F)C1 ZINC000832287681 603947487 /nfs/dbraw/zinc/94/74/87/603947487.db2.gz OYJGVHSLLKLSKV-HUUCEWRRSA-N -1 0 342.370 3.868 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)N1CCC[C@H]1C1CCCC1 ZINC000832068602 603978219 /nfs/dbraw/zinc/97/82/19/603978219.db2.gz CLPLVTUEONIHIZ-INIZCTEOSA-N -1 0 343.427 3.914 20 0 EHADRM C[C@@H](c1ccccc1)N(C)C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000825638241 603980755 /nfs/dbraw/zinc/98/07/55/603980755.db2.gz LJCVQHUPFXEXHN-ZDUSSCGKSA-N -1 0 339.395 3.952 20 0 EHADRM C[C@@H](Cc1ccsc1)NC(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000825030061 603994257 /nfs/dbraw/zinc/99/42/57/603994257.db2.gz GFQUPANRPZUZTP-NSHDSACASA-N -1 0 345.424 3.541 20 0 EHADRM CN(Cc1cc2ccccc2o1)C(=O)c1ccc(NC(=O)[O-])cc1O ZINC000828350734 604004208 /nfs/dbraw/zinc/00/42/08/604004208.db2.gz OHQHJIIYDONZPS-UHFFFAOYSA-N -1 0 340.335 3.501 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)CCC3)cc1NC(=O)[O-] ZINC000830230381 604013507 /nfs/dbraw/zinc/01/35/07/604013507.db2.gz HOOUUJNQWMEYEH-UHFFFAOYSA-N -1 0 338.363 3.856 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(NC(=O)[O-])cc2)[C@@H](c2ccco2)C1 ZINC000825944257 604024406 /nfs/dbraw/zinc/02/44/06/604024406.db2.gz MKWPTTUAWFIBTI-IUODEOHRSA-N -1 0 328.368 3.983 20 0 EHADRM Cc1ccc(-c2cnc(CN3CCCC[C@@H]3[C@@H](C)NC(=O)[O-])o2)cc1 ZINC000830149560 604043924 /nfs/dbraw/zinc/04/39/24/604043924.db2.gz RPCFUPJYKGAYKE-GDBMZVCRSA-N -1 0 343.427 3.661 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)/C=C/SCc2ccco2)c1 ZINC000829469883 604044785 /nfs/dbraw/zinc/04/47/85/604044785.db2.gz YYILLARPMCPJBN-SOFGYWHQSA-N -1 0 348.380 3.764 20 0 EHADRM CC(C)(C)c1cnc(CNc2ccc3c(c2)CN(C(=O)[O-])CC3)o1 ZINC000823859624 604050283 /nfs/dbraw/zinc/05/02/83/604050283.db2.gz VBHVQERFUKTJQI-UHFFFAOYSA-N -1 0 329.400 3.620 20 0 EHADRM CN(C(=O)Nc1cc(Cl)ccc1F)C1CCC(NC(=O)[O-])CC1 ZINC000827807025 604121489 /nfs/dbraw/zinc/12/14/89/604121489.db2.gz RQLONLKYLUNHQD-UHFFFAOYSA-N -1 0 343.786 3.522 20 0 EHADRM Cc1cc2cc(NC(=O)N(C)CC[C@@H](NC(=O)[O-])C(C)C)ccc2[nH]1 ZINC000830144161 604137404 /nfs/dbraw/zinc/13/74/04/604137404.db2.gz SOQIRFFALPRPSV-OAHLLOKOSA-N -1 0 346.431 3.622 20 0 EHADRM Cc1c(-c2nc(C3(NC(=O)[O-])CCCC3)no2)cnc2ccccc12 ZINC000829832876 604148944 /nfs/dbraw/zinc/14/89/44/604148944.db2.gz AWDWWFKXXKEWHZ-UHFFFAOYSA-N -1 0 338.367 3.630 20 0 EHADRM C[C@@H](NC(=O)Cc1ccc(NC(=O)[O-])cc1)[C@H](C)c1ccccc1 ZINC000825125695 604210786 /nfs/dbraw/zinc/21/07/86/604210786.db2.gz BFYLQADMMALIPK-UONOGXRCSA-N -1 0 326.396 3.627 20 0 EHADRM C[C@H](OC(=O)c1ccc(CNC(=O)[O-])o1)c1ccc(F)c(Cl)c1 ZINC000825602383 604241983 /nfs/dbraw/zinc/24/19/83/604241983.db2.gz KAKPGBSGSOALCP-QMMMGPOBSA-N -1 0 341.722 3.758 20 0 EHADRM CN(C(=O)c1ccc(-c2ccco2)s1)C1CCC(NC(=O)[O-])CC1 ZINC000827931339 604275085 /nfs/dbraw/zinc/27/50/85/604275085.db2.gz BIEOXDMPXZDHHB-UHFFFAOYSA-N -1 0 348.424 3.659 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N(C)Cc1cccc2ccccc21 ZINC000832846348 604277956 /nfs/dbraw/zinc/27/79/56/604277956.db2.gz OETVYPHARRVOKE-UHFFFAOYSA-N -1 0 336.391 3.755 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)NC1(CNC(=O)[O-])CCCC1 ZINC000823859322 604283531 /nfs/dbraw/zinc/28/35/31/604283531.db2.gz LXVQVAAGOLSTEG-UHFFFAOYSA-N -1 0 333.432 3.686 20 0 EHADRM CC1(C)C[C@H](NC(=O)c2ccc(C(=O)[O-])s2)c2ccc(F)cc2O1 ZINC000262194417 604301353 /nfs/dbraw/zinc/30/13/53/604301353.db2.gz TXHOBOABSIUXQJ-NSHDSACASA-N -1 0 349.383 3.618 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000556219039 604305548 /nfs/dbraw/zinc/30/55/48/604305548.db2.gz GQKIYCCYBSDDFE-UHFFFAOYSA-N -1 0 328.412 3.502 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCc3cc(-c4ccccc4)ccc32)nc1 ZINC000580029375 604306234 /nfs/dbraw/zinc/30/62/34/604306234.db2.gz KKDAVNLDQORRFZ-UHFFFAOYSA-N -1 0 344.370 3.650 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)N1CCc2ccccc21)c1ccccc1 ZINC000826095675 604306994 /nfs/dbraw/zinc/30/69/94/604306994.db2.gz MRBMDRAWMJOGEC-KRWDZBQOSA-N -1 0 338.407 3.611 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)C[C@H](C)[C@H]2CCCN(C(=O)[O-])C2)s1 ZINC000830251313 604318177 /nfs/dbraw/zinc/31/81/77/604318177.db2.gz OHICKMXDXIWVKR-UBHSHLNASA-N -1 0 338.473 3.650 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCCCc3ccccc32)cc1F ZINC000833309318 604327947 /nfs/dbraw/zinc/32/79/47/604327947.db2.gz FUKQBVAVDKXSRO-UHFFFAOYSA-N -1 0 327.355 3.897 20 0 EHADRM C[C@H](CC(=O)N1CCc2ccccc2[C@H]1C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824607280 604341446 /nfs/dbraw/zinc/34/14/46/604341446.db2.gz WUBMVTBXAUXMGY-BFYDXBDKSA-N -1 0 344.455 3.549 20 0 EHADRM Cc1nc(C)c(NC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])s1 ZINC000832995510 604354284 /nfs/dbraw/zinc/35/42/84/604354284.db2.gz BUPUSEHJKSJMOH-CYBMUJFWSA-N -1 0 347.440 3.734 20 0 EHADRM C[C@H](CC(=O)N1CCCC[C@H]1c1ccco1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824583332 604355861 /nfs/dbraw/zinc/35/58/61/604355861.db2.gz STDCYOGFBYUCOO-PMPSAXMXSA-N -1 0 348.443 3.749 20 0 EHADRM O=C([O-])[C@H](c1cccc(Cl)c1)S(=O)(=O)c1ccccc1Cl ZINC000833173467 604371183 /nfs/dbraw/zinc/37/11/83/604371183.db2.gz ROCPWHDIZADNLV-ZDUSSCGKSA-N -1 0 345.203 3.593 20 0 EHADRM Cc1sc(NC(=O)c2ccnn2C2CCCC2)c(C(=O)[O-])c1C ZINC000833037258 604375614 /nfs/dbraw/zinc/37/56/14/604375614.db2.gz XPCQOUIOYQAVFK-UHFFFAOYSA-N -1 0 333.413 3.627 20 0 EHADRM C[C@@H](CC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])c1ccncc1 ZINC000827225970 604376965 /nfs/dbraw/zinc/37/69/65/604376965.db2.gz GMXUQAIPRYMOOR-KBXCAEBGSA-N -1 0 340.423 3.544 20 0 EHADRM Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])oc1C ZINC000832865055 604387844 /nfs/dbraw/zinc/38/78/44/604387844.db2.gz KVQIQWDUTHPYCN-UHFFFAOYSA-N -1 0 327.258 3.866 20 0 EHADRM Cc1cccc(CCC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c1 ZINC000832968006 604389226 /nfs/dbraw/zinc/38/92/26/604389226.db2.gz PLNTYGCBJUBIIY-IBGZPJMESA-N -1 0 339.435 3.896 20 0 EHADRM CCc1[nH]c(C(=O)N(c2ccccn2)C2CCCC2)c(C)c1C(=O)[O-] ZINC000830184122 604393165 /nfs/dbraw/zinc/39/31/65/604393165.db2.gz SSSJJFCDIPXPGZ-UHFFFAOYSA-N -1 0 341.411 3.568 20 0 EHADRM O=C([O-])c1ccc(OCc2ccccc2)c(NC[C@H]2CCCOC2)c1 ZINC000833324150 604401239 /nfs/dbraw/zinc/40/12/39/604401239.db2.gz ZNBQELASEXTDHX-MRXNPFEDSA-N -1 0 341.407 3.802 20 0 EHADRM Cc1ccc(OCCCC(=O)Oc2ccc(CC(=O)[O-])cc2)c(C)c1 ZINC000832952494 604406633 /nfs/dbraw/zinc/40/66/33/604406633.db2.gz NYDVBXDKAMUNGQ-UHFFFAOYSA-N -1 0 342.391 3.695 20 0 EHADRM CCC(=O)c1ccc(OC(=O)c2ccc(NC(=O)[O-])cc2)c(F)c1 ZINC000828574571 604414761 /nfs/dbraw/zinc/41/47/61/604414761.db2.gz TTZDELCGTXZQAS-UHFFFAOYSA-N -1 0 331.299 3.728 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NCc2nnc(-c3ccccc3)o2)cc1 ZINC000825449617 604441183 /nfs/dbraw/zinc/44/11/83/604441183.db2.gz VANXYMWRDSHSLU-GFCCVEGCSA-N -1 0 338.367 3.677 20 0 EHADRM C[C@@H](CC(=O)NCc1ccc([C@H](C)NC(=O)[O-])cc1)c1ccccc1 ZINC000824654783 604442666 /nfs/dbraw/zinc/44/26/66/604442666.db2.gz HNQGKBMOISOXPU-GJZGRUSLSA-N -1 0 340.423 3.825 20 0 EHADRM CC(C)(CCC(=O)N[C@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC000431216026 604470678 /nfs/dbraw/zinc/47/06/78/604470678.db2.gz KRYJBCAZCWPNRP-GOSISDBHSA-N -1 0 339.435 3.557 20 0 EHADRM CC(C)Oc1cc(CN(Cc2ccc(C(=O)[O-])s2)C2CC2)ccn1 ZINC000833505349 604475138 /nfs/dbraw/zinc/47/51/38/604475138.db2.gz IBBUHYMYVIMXEQ-UHFFFAOYSA-N -1 0 346.452 3.793 20 0 EHADRM Cc1cccc2[nH]cc(CCNC(=O)Nc3cc(C(=O)[O-])cs3)c21 ZINC000832976036 604493220 /nfs/dbraw/zinc/49/32/20/604493220.db2.gz JBJCUEAIAREANX-UHFFFAOYSA-N -1 0 343.408 3.600 20 0 EHADRM C[C@H](NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])c1ccccc1 ZINC000827659809 604493749 /nfs/dbraw/zinc/49/37/49/604493749.db2.gz UTMLBPLHKYDTDQ-YOEHRIQHSA-N -1 0 340.423 3.899 20 0 EHADRM CC(C)(C)O[C@H](C(=O)Oc1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC000833446246 604495675 /nfs/dbraw/zinc/49/56/75/604495675.db2.gz RSDUKTCGTYMXBE-SFHVURJKSA-N -1 0 342.391 3.776 20 0 EHADRM CC(C)Oc1ccccc1CC(=O)OC1CCC(CC(=O)[O-])CC1 ZINC000833507637 604498172 /nfs/dbraw/zinc/49/81/72/604498172.db2.gz YVBGVIFTKLETIN-UHFFFAOYSA-N -1 0 334.412 3.593 20 0 EHADRM O=C([O-])c1csc(NC(=O)N2CCCCC[C@H]2c2ccncc2)c1 ZINC000833343127 604501757 /nfs/dbraw/zinc/50/17/57/604501757.db2.gz XNKGSVBXJLKZEQ-AWEZNQCLSA-N -1 0 345.424 3.991 20 0 EHADRM CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2cc(C(=O)[O-])cs2)C1 ZINC000830150037 604515881 /nfs/dbraw/zinc/51/58/81/604515881.db2.gz MIELZUIZLJEPEM-GHMZBOCLSA-N -1 0 328.459 3.584 20 0 EHADRM CN(Cc1ccccc1)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000830852338 604518813 /nfs/dbraw/zinc/51/88/13/604518813.db2.gz QCQRVEBVRDHDIO-KRWDZBQOSA-N -1 0 340.423 3.680 20 0 EHADRM CC(C)[C@@H]1c2ccccc2CCN1C(=O)CC1CCN(C(=O)[O-])CC1 ZINC000824164004 604519298 /nfs/dbraw/zinc/51/92/98/604519298.db2.gz DGSQIZINNOJGRF-LJQANCHMSA-N -1 0 344.455 3.549 20 0 EHADRM COc1c(C)cc(CN(C)C(=O)Nc2cc(C(=O)[O-])cs2)cc1C ZINC000831847088 604523864 /nfs/dbraw/zinc/52/38/64/604523864.db2.gz JOAUJAADWIJGFH-UHFFFAOYSA-N -1 0 348.424 3.736 20 0 EHADRM CC(C)CN(C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])C(C)C ZINC000826865832 604524305 /nfs/dbraw/zinc/52/43/05/604524305.db2.gz YUYQWXMBWZKQNP-INIZCTEOSA-N -1 0 334.460 3.915 20 0 EHADRM Cc1ccc(C)c(NC(=O)NCc2ccc([C@H](C)NC(=O)[O-])cc2)c1 ZINC000830274262 604525819 /nfs/dbraw/zinc/52/58/19/604525819.db2.gz HBSZIWUXLYHUDR-AWEZNQCLSA-N -1 0 341.411 3.954 20 0 EHADRM CCCn1c(CN(C)Cc2cc(C(=O)[O-])c(C)o2)nc2ccccc21 ZINC000833652861 604526333 /nfs/dbraw/zinc/52/63/33/604526333.db2.gz PJYVEVVKKGYSOH-UHFFFAOYSA-N -1 0 341.411 3.678 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)N1C2CCCC1CCC2)c1ccccc1 ZINC000826089713 604535776 /nfs/dbraw/zinc/53/57/76/604535776.db2.gz NAOKSBRVESEQFK-OFLPRAFFSA-N -1 0 344.455 3.955 20 0 EHADRM C[C@H](c1ccco1)N(C)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000827957698 604536214 /nfs/dbraw/zinc/53/62/14/604536214.db2.gz NXBUFMDHVDRFTH-CZUORRHYSA-N -1 0 344.411 3.834 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)cn1 ZINC000827117661 604546197 /nfs/dbraw/zinc/54/61/97/604546197.db2.gz GQQWEIGMEHELAM-INIZCTEOSA-N -1 0 346.814 3.804 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)[C@H]2Cc3ccccc3S2)oc1C(=O)[O-] ZINC000832873785 604552496 /nfs/dbraw/zinc/55/24/96/604552496.db2.gz HYMVCHIRTXEFHE-QMTHXVAHSA-N -1 0 332.377 3.607 20 0 EHADRM CCC(CC)n1ccc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)n1 ZINC000828870665 604557267 /nfs/dbraw/zinc/55/72/67/604557267.db2.gz UJRKDQIMJTUPPR-UHFFFAOYSA-N -1 0 343.427 3.859 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2c[nH]nc2-c2ccccc2)oc1C(=O)[O-] ZINC000832874887 604560659 /nfs/dbraw/zinc/56/06/59/604560659.db2.gz LRQANKHQTTVYTO-NSHDSACASA-N -1 0 340.335 3.594 20 0 EHADRM CC(C)[C@@H](C(=O)NCc1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000833466516 604566027 /nfs/dbraw/zinc/56/60/27/604566027.db2.gz ZTQQZFYIEKYGFR-QGZVFWFLSA-N -1 0 329.371 3.580 20 0 EHADRM C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833541356 604574659 /nfs/dbraw/zinc/57/46/59/604574659.db2.gz UFTYFHGAFAQDPC-CYBMUJFWSA-N -1 0 345.420 3.659 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)[C@@H](C)Cc2ccc(F)cc2)oc1C(=O)[O-] ZINC000832873648 604575466 /nfs/dbraw/zinc/57/54/66/604575466.db2.gz HOQHVIDJDQSNGP-NWDGAFQWSA-N -1 0 334.343 3.908 20 0 EHADRM CCSc1ccc(C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)cn1 ZINC000830168408 604578214 /nfs/dbraw/zinc/57/82/14/604578214.db2.gz AGTVKWJLKFTISL-SNVBAGLBSA-N -1 0 335.381 3.711 20 0 EHADRM CC[C@@H](Nc1ccccc1)C(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000828999075 604585024 /nfs/dbraw/zinc/58/50/24/604585024.db2.gz PIYXPOWKEPQFGN-GXTWGEPZSA-N -1 0 331.368 3.781 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2c(C)noc2C(F)(F)F)oc1C(=O)[O-] ZINC000832872538 604595688 /nfs/dbraw/zinc/59/56/88/604595688.db2.gz PZYNRBMHNHLAJX-ZETCQYMHSA-N -1 0 347.245 3.519 20 0 EHADRM Cc1cc([C@H](C)OC(=O)C2(Cc3ccccc3)CC2)oc1C(=O)[O-] ZINC000832878975 604598547 /nfs/dbraw/zinc/59/85/47/604598547.db2.gz ZWTDVVBYQSUCJY-ZDUSSCGKSA-N -1 0 328.364 3.913 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)N(C2CC2)C2CCCC2)cc1 ZINC000825382630 604620057 /nfs/dbraw/zinc/62/00/57/604620057.db2.gz GEJCQFGWJBHQHJ-ZDUSSCGKSA-N -1 0 345.443 3.632 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NCC2(Cc3ccccc3)CC2)cc1 ZINC000833290844 604622152 /nfs/dbraw/zinc/62/21/52/604622152.db2.gz WNBGXHNVVKCEOY-UHFFFAOYSA-N -1 0 339.395 3.921 20 0 EHADRM CC(C)n1ncc2cc(CNc3ccc(N(C)C(=O)[O-])cc3)cnc21 ZINC000827200881 604643698 /nfs/dbraw/zinc/64/36/98/604643698.db2.gz LHXLGSANIGRGOB-UHFFFAOYSA-N -1 0 339.399 3.739 20 0 EHADRM Cc1cc(F)cc(NC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000832887923 604666613 /nfs/dbraw/zinc/66/66/13/604666613.db2.gz MJFAUSKTZYCPGT-WBMJQRKESA-N -1 0 330.359 3.718 20 0 EHADRM CC(C)CNc1nnc(SCc2ccc(C(=O)[O-])cc2F)s1 ZINC000833487943 604669898 /nfs/dbraw/zinc/66/98/98/604669898.db2.gz BPQGPPLEDSYBFI-UHFFFAOYSA-N -1 0 341.433 3.736 20 0 EHADRM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CCc1ccccc1C(=O)[O-] ZINC000262201593 604673605 /nfs/dbraw/zinc/67/36/05/604673605.db2.gz ORDLGIMOGDBXEG-LBPRGKRZSA-N -1 0 347.361 3.815 20 0 EHADRM O=C([O-])CCCc1nc(CN2CCC[C@@H]2CCC2CCCCC2)no1 ZINC000652431184 604674143 /nfs/dbraw/zinc/67/41/43/604674143.db2.gz ZEBJTHHBHFFFAS-MRXNPFEDSA-N -1 0 349.475 3.802 20 0 EHADRM C[C@H](CC(=O)Nc1ccc2[nH]ccc2c1)C1CCN(C(=O)[O-])CC1 ZINC000824696134 604676851 /nfs/dbraw/zinc/67/68/51/604676851.db2.gz QSNDNAJXPWWMHV-GFCCVEGCSA-N -1 0 329.400 3.523 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000833238929 604683531 /nfs/dbraw/zinc/68/35/31/604683531.db2.gz KJKHVGJZNAGNGW-UHFFFAOYSA-N -1 0 337.734 3.585 20 0 EHADRM CCC[C@H](C)[C@H]1CCCN1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000829208904 604685935 /nfs/dbraw/zinc/68/59/35/604685935.db2.gz PAKIAYVYXCMFDL-WMLDXEAASA-N -1 0 347.459 3.929 20 0 EHADRM CC[C@@H](NC(=O)N1CCC[C@H]1CC(=O)[O-])c1ccc(Cl)s1 ZINC000828944066 604685918 /nfs/dbraw/zinc/68/59/18/604685918.db2.gz VCYAAZTXOBNYNP-VHSXEESVSA-N -1 0 330.837 3.501 20 0 EHADRM CCc1cc(C)c(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])o1 ZINC000830218754 604708226 /nfs/dbraw/zinc/70/82/26/604708226.db2.gz MSNGFKRGJUFKAI-MRXNPFEDSA-N -1 0 329.396 3.732 20 0 EHADRM CC(C)(C)[C@H](NC(=O)Cc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000539676278 604714245 /nfs/dbraw/zinc/71/42/45/604714245.db2.gz NDSZFIMKXYCDDR-GOSISDBHSA-N -1 0 325.408 3.831 20 0 EHADRM O=C([O-])COc1ccc(C(=O)N2CCC[C@H]2CCC2CCCC2)cc1 ZINC000833252756 604714658 /nfs/dbraw/zinc/71/46/58/604714658.db2.gz AGGPVIOQUJXZPF-KRWDZBQOSA-N -1 0 345.439 3.725 20 0 EHADRM O=C([O-])c1cccc(CC(=O)NCc2ccc(-c3ccccc3)o2)c1 ZINC000833765805 604717695 /nfs/dbraw/zinc/71/76/95/604717695.db2.gz NXYAWLWGYYCDBF-UHFFFAOYSA-N -1 0 335.359 3.504 20 0 EHADRM O=C([O-])CCc1csc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)n1 ZINC000833240606 604727289 /nfs/dbraw/zinc/72/72/89/604727289.db2.gz MGOFACMDKMFXBK-UHFFFAOYSA-N -1 0 349.799 3.547 20 0 EHADRM CC[C@H](CC(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccccc1 ZINC000828770275 604732484 /nfs/dbraw/zinc/73/24/84/604732484.db2.gz HXUUVORLLMIQCM-GFCCVEGCSA-N -1 0 332.425 3.683 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)C[C@@H](C)C2CCN(C(=O)[O-])CC2)s1 ZINC000830250951 604744151 /nfs/dbraw/zinc/74/41/51/604744151.db2.gz LJIYEDAHTKXZNZ-DGCLKSJQSA-N -1 0 338.473 3.650 20 0 EHADRM CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1cc(-c2ccccc2)cs1 ZINC000833506158 604770401 /nfs/dbraw/zinc/77/04/01/604770401.db2.gz ULOOXNRKGHOMJQ-KRWDZBQOSA-N -1 0 333.453 3.725 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC000262774276 604775694 /nfs/dbraw/zinc/77/56/94/604775694.db2.gz HXKIYDLHXOWZMF-HNNXBMFYSA-N -1 0 343.345 3.555 20 0 EHADRM CCC[C@@H](C)CC(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000829207603 604780236 /nfs/dbraw/zinc/78/02/36/604780236.db2.gz BPGNDSNWTNAWHR-CQSZACIVSA-N -1 0 332.444 3.614 20 0 EHADRM C[C@H](C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1)C1CCCC1 ZINC000825982414 604789334 /nfs/dbraw/zinc/78/93/34/604789334.db2.gz DTLJSZWJRYRRJN-AWEZNQCLSA-N -1 0 344.455 3.614 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NCCc1cc2ccccc2[nH]1 ZINC000832915172 604796210 /nfs/dbraw/zinc/79/62/10/604796210.db2.gz JCTNHHXSVFGBRQ-UHFFFAOYSA-N -1 0 337.379 3.539 20 0 EHADRM CC(C)[C@H](C(=O)Nc1cccc(C(=O)[O-])c1O)c1ccc(F)cc1 ZINC000833466039 604796342 /nfs/dbraw/zinc/79/63/42/604796342.db2.gz QEZZHDKYVQQWEJ-HNNXBMFYSA-N -1 0 331.343 3.608 20 0 EHADRM Cc1cc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)ccc1N1CCCC1 ZINC000832896470 604804298 /nfs/dbraw/zinc/80/42/98/604804298.db2.gz YCPLADPIJSWGLF-UHFFFAOYSA-N -1 0 342.370 3.685 20 0 EHADRM C[C@]1(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)CCCc2ccccc21 ZINC000561349205 604810874 /nfs/dbraw/zinc/81/08/74/604810874.db2.gz SDONDLYDIOYOMQ-QFIPXVFZSA-N -1 0 349.430 3.564 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)C[C@@H](C)C2CCN(C(=O)[O-])CC2)c1 ZINC000828830874 604816308 /nfs/dbraw/zinc/81/63/08/604816308.db2.gz NFBQXFUNQKMPQJ-KGLIPLIRSA-N -1 0 348.443 3.749 20 0 EHADRM CC(C)c1ncc(C(=O)Oc2ccc(SCC(=O)[O-])cc2)s1 ZINC000827158879 604818270 /nfs/dbraw/zinc/81/82/70/604818270.db2.gz UGLLDZOVRUTXSS-UHFFFAOYSA-N -1 0 337.422 3.662 20 0 EHADRM CC(C)c1ncc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])s1 ZINC000190669178 604821576 /nfs/dbraw/zinc/82/15/76/604821576.db2.gz UCQSSINSPCFRSB-CYBMUJFWSA-N -1 0 346.452 3.630 20 0 EHADRM CC(C)c1ncc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)s1 ZINC000191080992 604825844 /nfs/dbraw/zinc/82/58/44/604825844.db2.gz LJDNXQZABTXIAX-UHFFFAOYSA-N -1 0 348.424 3.762 20 0 EHADRM Cc1ccc2cc(C(=O)Nc3ccc(CN(C)C(=O)[O-])cc3)ccc2n1 ZINC000832961743 604827601 /nfs/dbraw/zinc/82/76/01/604827601.db2.gz AYSKTRLZOFTJMC-UHFFFAOYSA-N -1 0 349.390 3.905 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc3nc(C4CC4)oc3c2)cc1F ZINC000833158049 604830303 /nfs/dbraw/zinc/83/03/03/604830303.db2.gz LTMVDYIQXATUCS-UHFFFAOYSA-N -1 0 340.310 3.795 20 0 EHADRM CN(C(=O)c1ccccc1CCC(F)(F)F)C1(C(=O)[O-])CCCC1 ZINC000833686843 604843410 /nfs/dbraw/zinc/84/34/10/604843410.db2.gz ORAPCLZMBAMSDA-UHFFFAOYSA-N -1 0 343.345 3.651 20 0 EHADRM CCCCn1ncc(NC(=O)Nc2cccc(NC(=O)[O-])c2)c1C ZINC000829448128 604845378 /nfs/dbraw/zinc/84/53/78/604845378.db2.gz YGGHEEIOTZOLPY-UHFFFAOYSA-N -1 0 331.376 3.726 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)/C=C/c2ccccc2F)cc1Cl ZINC000776669821 604849983 /nfs/dbraw/zinc/84/99/83/604849983.db2.gz ANUVEEBLFIPRIL-VMPITWQZSA-N -1 0 349.745 3.594 20 0 EHADRM Cc1cc(F)ccc1C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000190737657 604857960 /nfs/dbraw/zinc/85/79/60/604857960.db2.gz ZNGXIYQYTVPFEW-UHFFFAOYSA-N -1 0 331.343 3.872 20 0 EHADRM CC(C)(CC(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC000669435847 604860264 /nfs/dbraw/zinc/86/02/64/604860264.db2.gz STNJRNRGEGPURC-QGZVFWFLSA-N -1 0 337.419 3.959 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccc(F)cc2C(=O)[O-])Cc2ccccc21 ZINC000833560738 604861574 /nfs/dbraw/zinc/86/15/74/604861574.db2.gz UTPMLDRIYDSUCD-UHFFFAOYSA-N -1 0 342.370 3.849 20 0 EHADRM CC[C@@](NC(=O)[C@@H]1CCCc2sccc21)(C(=O)[O-])c1ccccc1 ZINC000431427344 604861579 /nfs/dbraw/zinc/86/15/79/604861579.db2.gz MYPCAKAMUMKQIL-BEFAXECRSA-N -1 0 343.448 3.674 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)Cc2csc3ccccc23)C1 ZINC000679106343 604879544 /nfs/dbraw/zinc/87/95/44/604879544.db2.gz PZJVOECZRDZQIA-CQSZACIVSA-N -1 0 345.464 3.793 20 0 EHADRM O=C([O-])C[C@H](NC(=O)/C=C/c1ccc2ccccc2n1)c1ccccc1 ZINC000769516162 604881142 /nfs/dbraw/zinc/88/11/42/604881142.db2.gz UBIILUDADHTIKU-HYSAVQALSA-N -1 0 346.386 3.580 20 0 EHADRM C[C@@H](C(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F)c1ccco1 ZINC000833406038 604881377 /nfs/dbraw/zinc/88/13/77/604881377.db2.gz KNWBSUZJCSDTGU-RNCFNFMXSA-N -1 0 342.269 3.928 20 0 EHADRM Cc1ccc(C(=O)O[C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)o1 ZINC000833747754 604882760 /nfs/dbraw/zinc/88/27/60/604882760.db2.gz HZADJLCFHDCXPS-LBPRGKRZSA-N -1 0 328.242 3.747 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc2cc(F)ccc2s1)c1ccccc1 ZINC000013225106 604883321 /nfs/dbraw/zinc/88/33/21/604883321.db2.gz BMPYJIISTYWQFF-AWEZNQCLSA-N -1 0 343.379 3.986 20 0 EHADRM CC(C)COc1ccc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000327036080 604892897 /nfs/dbraw/zinc/89/28/97/604892897.db2.gz JLYJKQUPFNVOMS-MRXNPFEDSA-N -1 0 347.455 3.684 20 0 EHADRM C[C@H](C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccc(Cl)s1 ZINC000683323588 604893622 /nfs/dbraw/zinc/89/36/22/604893622.db2.gz AITIVLGNMBTAEW-QWRGUYRKSA-N -1 0 343.876 3.854 20 0 EHADRM CC(C)(C)c1ccccc1C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000391982032 604894365 /nfs/dbraw/zinc/89/43/65/604894365.db2.gz BENKKWYUUIHAQD-CQSZACIVSA-N -1 0 331.456 3.947 20 0 EHADRM CC(C)(C)c1nc(NC(=O)C=C2CCSCC2)sc1C(=O)[O-] ZINC000833451161 604916322 /nfs/dbraw/zinc/91/63/22/604916322.db2.gz RXXVFSRAJGPUCN-UHFFFAOYSA-N -1 0 340.470 3.531 20 0 EHADRM C[C@H](c1ccc2ccccc2c1)N(C(=O)[C@H](C)NC(=O)[O-])C1CC1 ZINC000833547422 604949701 /nfs/dbraw/zinc/94/97/01/604949701.db2.gz DCVZEPXDUJXVHE-QWHCGFSZSA-N -1 0 326.396 3.548 20 0 EHADRM O=C([O-])c1cccc(NC2CCN(C(=O)C(F)=C3CCCC3)CC2)c1 ZINC000833329386 604955654 /nfs/dbraw/zinc/95/56/54/604955654.db2.gz BFLFZTIFKCZXCM-UHFFFAOYSA-N -1 0 346.402 3.585 20 0 EHADRM CCc1oc(C(=O)N(CC(=O)[O-])[C@@H](CC)c2ccccc2)cc1C ZINC000833678249 604975621 /nfs/dbraw/zinc/97/56/21/604975621.db2.gz LQFHTQKBBMTYNO-HNNXBMFYSA-N -1 0 329.396 3.829 20 0 EHADRM CCc1oc(C(=O)N(CC(=O)[O-])[C@H](CC)c2ccccc2)cc1C ZINC000833678251 604976046 /nfs/dbraw/zinc/97/60/46/604976046.db2.gz LQFHTQKBBMTYNO-OAHLLOKOSA-N -1 0 329.396 3.829 20 0 EHADRM CC(C)CN(C(=O)Nc1nc(CCC(=O)[O-])cs1)C1CCCC1 ZINC000826865810 604985282 /nfs/dbraw/zinc/98/52/82/604985282.db2.gz XIKPJCKEAZKDRA-UHFFFAOYSA-N -1 0 339.461 3.593 20 0 EHADRM C[C@H](CSc1ccc(F)cc1)C(=O)Nc1cccc(C(=O)[O-])c1O ZINC000827580362 604997900 /nfs/dbraw/zinc/99/79/00/604997900.db2.gz ARXJFVYIRRHAIZ-SNVBAGLBSA-N -1 0 349.383 3.596 20 0 EHADRM Cc1ccc(Oc2ccc(N[C@@H](C(=O)[O-])c3cccnc3)cc2)nc1 ZINC000832953154 605002615 /nfs/dbraw/zinc/00/26/15/605002615.db2.gz AJJVSGDKKWGXMZ-GOSISDBHSA-N -1 0 335.363 3.815 20 0 EHADRM O=C([O-])[C@H](Nc1ccc(OC2CCCC2)c(F)c1)c1cccnc1 ZINC000833169955 605005075 /nfs/dbraw/zinc/00/50/75/605005075.db2.gz NCRLXYZUGZTMKS-QGZVFWFLSA-N -1 0 330.359 3.780 20 0 EHADRM CC(C)(C)OCc1ccccc1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000833445257 605005203 /nfs/dbraw/zinc/00/52/03/605005203.db2.gz FACGBRTXLFZIIU-UHFFFAOYSA-N -1 0 341.407 3.881 20 0 EHADRM Cc1scc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])c1C ZINC000450501173 605009207 /nfs/dbraw/zinc/00/92/07/605009207.db2.gz PBAJTYKNQCHOCU-LBPRGKRZSA-N -1 0 331.437 3.728 20 0 EHADRM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000833616240 605019982 /nfs/dbraw/zinc/01/99/82/605019982.db2.gz AMIROBGLPVSSBR-BFUOFWGJSA-N -1 0 338.407 3.759 20 0 EHADRM CCC[C@H](NC(=O)c1ccc(CSc2ccccc2)cc1)C(=O)[O-] ZINC000237018390 605022295 /nfs/dbraw/zinc/02/22/95/605022295.db2.gz XUGFTGPFEKAJAD-KRWDZBQOSA-N -1 0 343.448 3.962 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)OCc1csc(-c2cccs2)n1 ZINC000833454515 605033560 /nfs/dbraw/zinc/03/35/60/605033560.db2.gz CFCBWPSUWMHWSJ-UHFFFAOYSA-N -1 0 339.438 3.806 20 0 EHADRM CCc1noc(C)c1CNc1ccc(Br)c(C(=O)[O-])c1 ZINC000833679043 605039400 /nfs/dbraw/zinc/03/94/00/605039400.db2.gz MDAJOMLNYFMDJJ-UHFFFAOYSA-N -1 0 339.189 3.618 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)N2CCSC[C@@H]2CC(=O)[O-])cc1 ZINC000581347343 605045089 /nfs/dbraw/zinc/04/50/89/605045089.db2.gz XABUIZLUUCJBNI-LIMHQNJXSA-N -1 0 347.480 3.632 20 0 EHADRM C[C@@H](CC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21)c1ccc(F)cc1F ZINC000192939707 605061824 /nfs/dbraw/zinc/06/18/24/605061824.db2.gz JBSGCGFUUMQBLT-XHDPSFHLSA-N -1 0 345.345 3.673 20 0 EHADRM C[C@H](CC(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000761619888 605066051 /nfs/dbraw/zinc/06/60/51/605066051.db2.gz MFAGDUPJXCFEMU-KZULUSFZSA-N -1 0 347.361 3.743 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)CCO1 ZINC000833471258 605073472 /nfs/dbraw/zinc/07/34/72/605073472.db2.gz NIBYBZGRZIKGCH-BBRMVZONSA-N -1 0 334.416 3.581 20 0 EHADRM CC1(C)CC[C@H](C(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)C1 ZINC000833557356 605075675 /nfs/dbraw/zinc/07/56/75/605075675.db2.gz JHUPXBPVDQZHJB-ZDUSSCGKSA-N -1 0 339.382 3.594 20 0 EHADRM CC(C)CCc1nc(COC(=O)C2CCC(C(=O)[O-])CC2)cs1 ZINC000833484834 605075727 /nfs/dbraw/zinc/07/57/27/605075727.db2.gz XEOWBEOILBRYIS-UHFFFAOYSA-N -1 0 339.457 3.666 20 0 EHADRM CC1(C)CC[C@H](C(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)C1 ZINC000833556992 605077570 /nfs/dbraw/zinc/07/75/70/605077570.db2.gz CPHVTIQSXSCMRT-ZDUSSCGKSA-N -1 0 340.423 3.577 20 0 EHADRM CC(C)CN(Cc1ccccc1F)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000630226669 605083702 /nfs/dbraw/zinc/08/37/02/605083702.db2.gz DPAUCFWZALALQH-UHFFFAOYSA-N -1 0 335.419 3.701 20 0 EHADRM CC(C)(Cc1ccccc1Cl)NC(=O)C1CCC(C(=O)[O-])CC1 ZINC000194411275 605086214 /nfs/dbraw/zinc/08/62/14/605086214.db2.gz QRCHAILIKIFFKQ-UHFFFAOYSA-N -1 0 337.847 3.668 20 0 EHADRM CC(C)OC1CCC(NC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)CC1 ZINC000833504797 605095302 /nfs/dbraw/zinc/09/53/02/605095302.db2.gz UMPDBWAGEBNNPJ-UHFFFAOYSA-N -1 0 349.431 3.659 20 0 EHADRM CC(C)(C)c1ccc(C(C)(C)NC(=O)CCSCC(=O)[O-])cc1 ZINC000833450578 605104931 /nfs/dbraw/zinc/10/49/31/605104931.db2.gz VXYBSKXHYWQDLD-UHFFFAOYSA-N -1 0 337.485 3.543 20 0 EHADRM Cc1cccc(C2(CNC(=O)C3CCC(C(=O)[O-])CC3)CCCC2)c1 ZINC000194408912 605107561 /nfs/dbraw/zinc/10/75/61/605107561.db2.gz ACLWUTUFRMGNRF-UHFFFAOYSA-N -1 0 343.467 3.814 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@H](c1ccccc1)c1cccc(F)c1 ZINC000191138525 605114172 /nfs/dbraw/zinc/11/41/72/605114172.db2.gz RIGRBBCWZGQOOS-LJQANCHMSA-N -1 0 343.398 3.922 20 0 EHADRM CN(Cc1ccc(NC(=O)[C@@H](c2ccccc2)C2CC2)cc1)C(=O)[O-] ZINC000833695330 605129415 /nfs/dbraw/zinc/12/94/15/605129415.db2.gz LTOMVAOGWZKKPH-SFHVURJKSA-N -1 0 338.407 3.929 20 0 EHADRM CCC(CC)n1nc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1C ZINC000683299479 605130029 /nfs/dbraw/zinc/13/00/29/605130029.db2.gz YQVXRDAHVJVMDZ-CYBMUJFWSA-N -1 0 349.456 3.560 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)NCCc2ccc(NC(=O)[O-])cc2)CC1 ZINC000833508566 605146589 /nfs/dbraw/zinc/14/65/89/605146589.db2.gz MHGAOWYWGOBTOA-WKILWMFISA-N -1 0 332.444 3.898 20 0 EHADRM CC1(CC(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)CCCCC1 ZINC000833563102 605148041 /nfs/dbraw/zinc/14/80/41/605148041.db2.gz CWEZIXVNGRTPAO-HNNXBMFYSA-N -1 0 325.355 3.567 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)C1CCC(C(=O)[O-])CC1 ZINC000630294214 605150533 /nfs/dbraw/zinc/15/05/33/605150533.db2.gz HAIUVQJSHRNFBZ-AWYCJPSDSA-N -1 0 329.440 3.671 20 0 EHADRM CC(C)(C)C[C@@H](Sc1nnc(CCc2ccccc2)o1)C(=O)[O-] ZINC000833429115 605154460 /nfs/dbraw/zinc/15/44/60/605154460.db2.gz HRKWEDPCAFEUGL-CYBMUJFWSA-N -1 0 334.441 3.836 20 0 EHADRM COCc1ccc(S[C@@H](C(=O)OC)c2cccc(C(=O)[O-])c2)cc1 ZINC000833725631 605183936 /nfs/dbraw/zinc/18/39/36/605183936.db2.gz BXOFFDCXLRYJRK-MRXNPFEDSA-N -1 0 346.404 3.538 20 0 EHADRM C[C@@H](Nc1cncc(C(=O)[O-])n1)[C@H](C)c1ccccc1C(F)(F)F ZINC000833524109 605194624 /nfs/dbraw/zinc/19/46/24/605194624.db2.gz AMCXONYPUJFZLO-VHSXEESVSA-N -1 0 339.317 3.798 20 0 EHADRM CC[C@H](C)Oc1cc(-c2nc(-c3cccc(C(=O)[O-])c3)no2)ccn1 ZINC000833641385 605204978 /nfs/dbraw/zinc/20/49/78/605204978.db2.gz XJGBOJUVPJSVPX-NSHDSACASA-N -1 0 339.351 3.674 20 0 EHADRM CCO[C@H]1C[C@@H](Nc2ccc(CNC(=O)[O-])cc2)C12CCCCC2 ZINC000833661769 605219978 /nfs/dbraw/zinc/21/99/78/605219978.db2.gz XGRLXFCFSCXRDK-SJORKVTESA-N -1 0 332.444 3.994 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)c1cc(Br)cs1)C(=O)[O-] ZINC000833428304 605229534 /nfs/dbraw/zinc/22/95/34/605229534.db2.gz QENQBKMXAWRUCJ-QMMMGPOBSA-N -1 0 335.219 3.557 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)c1cc(C(F)(F)F)ccc1F)C(=O)[O-] ZINC000833427170 605229673 /nfs/dbraw/zinc/22/96/73/605229673.db2.gz JSMSZOYUYCEHCI-LLVKDONJSA-N -1 0 336.281 3.891 20 0 EHADRM CCC(CC)n1ccc(C(=O)Nc2ccc(OC)c(NC(=O)[O-])c2)n1 ZINC000826576080 605239129 /nfs/dbraw/zinc/23/91/29/605239129.db2.gz PWKQYUXNZJVUBI-UHFFFAOYSA-N -1 0 346.387 3.595 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1ccc(OC)c(NC(=O)[O-])c1 ZINC000826579944 605239195 /nfs/dbraw/zinc/23/91/95/605239195.db2.gz CDYIRMUDSCYMCQ-UHFFFAOYSA-N -1 0 346.387 3.595 20 0 EHADRM CC(C)(C)Oc1ccccc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000262171556 605249270 /nfs/dbraw/zinc/24/92/70/605249270.db2.gz OZXAWPDDWGFROX-UHFFFAOYSA-N -1 0 327.380 3.743 20 0 EHADRM O=C([O-])N1CCC[C@@H](CNc2cccc(OCc3cscn3)c2)C1 ZINC000831986569 605252603 /nfs/dbraw/zinc/25/26/03/605252603.db2.gz RXUCSRAIDUJGHZ-ZDUSSCGKSA-N -1 0 347.440 3.524 20 0 EHADRM CC(C)[C@@H](C(=O)Nc1ccc(C(=O)[O-])nc1)c1cccc(Cl)c1 ZINC000833465044 605253582 /nfs/dbraw/zinc/25/35/82/605253582.db2.gz HDDDAECMVPJHFT-OAHLLOKOSA-N -1 0 332.787 3.812 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000575737148 605255948 /nfs/dbraw/zinc/25/59/48/605255948.db2.gz JUNVKCPPRXNRAU-MRXNPFEDSA-N -1 0 331.456 3.749 20 0 EHADRM Cc1cccc(C2(C(=O)Nc3ccc(C(=O)[O-])nc3)CCCCC2)c1 ZINC000833752767 605258050 /nfs/dbraw/zinc/25/80/50/605258050.db2.gz WKRUCBLXDGPCPP-UHFFFAOYSA-N -1 0 338.407 3.929 20 0 EHADRM O=C([O-])N1CCc2cccc(CNc3cccc(OCCF)c3)c21 ZINC000832091920 605260257 /nfs/dbraw/zinc/26/02/57/605260257.db2.gz GZZJBINYFJKDCN-UHFFFAOYSA-N -1 0 330.359 3.688 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000833514823 605261643 /nfs/dbraw/zinc/26/16/43/605261643.db2.gz BSZHMXWSWTXUQX-CYBMUJFWSA-N -1 0 346.452 3.758 20 0 EHADRM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)Cc1ccccc1C(=O)[O-] ZINC000262721159 605267404 /nfs/dbraw/zinc/26/74/04/605267404.db2.gz FAFOQAYMXSXCIB-STQMWFEESA-N -1 0 341.382 3.601 20 0 EHADRM C[C@H](C(=O)Nc1ccc(NC(=O)[O-])c(F)c1)c1c(F)cccc1F ZINC000833408734 605274984 /nfs/dbraw/zinc/27/49/84/605274984.db2.gz IOKJIGLPTFLNQP-QMMMGPOBSA-N -1 0 338.285 3.936 20 0 EHADRM C[C@@H](OC(=O)[C@H]1CCc2c1cccc2Cl)c1ccc(C(=O)[O-])o1 ZINC000833529387 605276272 /nfs/dbraw/zinc/27/62/72/605276272.db2.gz SWQGQIJXWUDWDN-SKDRFNHKSA-N -1 0 334.755 3.965 20 0 EHADRM O=C([O-])NC1(c2noc([C@@H]3CCCc4sccc43)n2)CCCC1 ZINC000832227108 605299806 /nfs/dbraw/zinc/29/98/06/605299806.db2.gz BVVUAMPYJWSPIT-LLVKDONJSA-N -1 0 333.413 3.636 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000263510121 605301896 /nfs/dbraw/zinc/30/18/96/605301896.db2.gz YNIZJTLIZGXJEJ-GFCCVEGCSA-N -1 0 346.349 3.551 20 0 EHADRM CC(C)C[C@H](CNC(=O)CC1CCC(C(F)(F)F)CC1)C(=O)[O-] ZINC000191025300 605306421 /nfs/dbraw/zinc/30/64/21/605306421.db2.gz YVPWSZYWDAFYLI-OTTFEQOBSA-N -1 0 337.382 3.608 20 0 EHADRM C/C(=C\C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000833382223 605308874 /nfs/dbraw/zinc/30/88/74/605308874.db2.gz LILKSKKBBNHRRR-PLWJUESGSA-N -1 0 341.329 3.694 20 0 EHADRM CC(C)(C)Oc1c(F)cc(NC2CCN(C(=O)[O-])CC2)cc1F ZINC000833445358 605309256 /nfs/dbraw/zinc/30/92/56/605309256.db2.gz FXOSGSBWDJTNDS-UHFFFAOYSA-N -1 0 328.359 3.696 20 0 EHADRM CCC[C@@H](NC(=O)[O-])C(=O)Nc1ccc(Sc2ccncc2)cc1 ZINC000826757687 605339230 /nfs/dbraw/zinc/33/92/30/605339230.db2.gz HPJIHHCFGDGREO-OAHLLOKOSA-N -1 0 345.424 3.608 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)N[C@H](c1ccccc1)C(C)(C)C ZINC000825816798 605376855 /nfs/dbraw/zinc/37/68/55/605376855.db2.gz LYAMUOZYHSHSLC-VNQPRFMTSA-N -1 0 347.459 3.604 20 0 EHADRM C[C@@H](NC(=O)NCC1(C(=O)[O-])CCCCC1)c1ccc(Cl)s1 ZINC000316605435 605379940 /nfs/dbraw/zinc/37/99/40/605379940.db2.gz NKDRIKHRHAKTBO-SNVBAGLBSA-N -1 0 344.864 3.797 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)CCC(=O)c2cccc(F)c2)c1 ZINC000834262758 605427079 /nfs/dbraw/zinc/42/70/79/605427079.db2.gz XZPXXVYJBCHYKC-UHFFFAOYSA-N -1 0 348.305 3.656 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000833384861 605449310 /nfs/dbraw/zinc/44/93/10/605449310.db2.gz RADGMMWJNBTBHT-QJWNTBNXSA-N -1 0 345.345 3.619 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)c1cnc2ccc(F)cc2c1 ZINC000834275454 605457627 /nfs/dbraw/zinc/45/76/27/605457627.db2.gz IIMNCXSGJNWQAU-UHFFFAOYSA-N -1 0 325.299 3.716 20 0 EHADRM CC(C)c1ccc([C@H](C)NC(=O)N2CC[C@H](NC(=O)[O-])C[C@@H]2C)cc1 ZINC000824463184 605496460 /nfs/dbraw/zinc/49/64/60/605496460.db2.gz CTTZWQZLDYIABX-ZQIUZPCESA-N -1 0 347.459 3.701 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000820382702 605506137 /nfs/dbraw/zinc/50/61/37/605506137.db2.gz FBLPBNPEMGXVKU-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM COc1ccc(C2(C(=O)OCc3ccccc3C(=O)[O-])CCC2)cc1 ZINC000833731093 605508870 /nfs/dbraw/zinc/50/88/70/605508870.db2.gz QRKNUZGOOYTVCB-UHFFFAOYSA-N -1 0 340.375 3.559 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCCc3cccc(O)c32)c(Cl)c1 ZINC000834258838 605552027 /nfs/dbraw/zinc/55/20/27/605552027.db2.gz SWLJBBKMBDJMRB-UHFFFAOYSA-N -1 0 346.770 3.729 20 0 EHADRM CC(C)[C@@H](CNC(=O)Nc1cc(C(F)F)ccc1Cl)NC(=O)[O-] ZINC000824122226 605555367 /nfs/dbraw/zinc/55/53/67/605555367.db2.gz DTISXCBSIBBAJS-LLVKDONJSA-N -1 0 349.765 3.691 20 0 EHADRM O=C([O-])N[C@H](CC(=O)N1CCC[C@@H]1c1ccccc1)c1ccccc1 ZINC000832095020 605574247 /nfs/dbraw/zinc/57/42/47/605574247.db2.gz YHWWTUAUMYWXHL-QZTJIDSGSA-N -1 0 338.407 3.749 20 0 EHADRM O=C([O-])N[C@H](CC(=O)N[C@@H](c1cccs1)C1CC1)c1ccccc1 ZINC000832099764 605575529 /nfs/dbraw/zinc/57/55/29/605575529.db2.gz PPRGPLPSDMESJG-RHSMWYFYSA-N -1 0 344.436 3.714 20 0 EHADRM C[C@@H](NC(=O)C[C@@H](NC(=O)[O-])c1ccccc1)c1c(F)cccc1F ZINC000825102925 605579014 /nfs/dbraw/zinc/57/90/14/605579014.db2.gz WWXBEJAJZHRCDG-IAQYHMDHSA-N -1 0 348.349 3.541 20 0 EHADRM COc1cccc2c1N(C(=O)c1ccc(NC(=O)[O-])c(C)c1)CCC2 ZINC000829580411 605607227 /nfs/dbraw/zinc/60/72/27/605607227.db2.gz ICMKKOMQNCPBQX-UHFFFAOYSA-N -1 0 340.379 3.687 20 0 EHADRM CC[C@H](C)[C@H](C)C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000833639009 605618146 /nfs/dbraw/zinc/61/81/46/605618146.db2.gz QDAGXAUMKYIZCC-YUMQZZPRSA-N -1 0 346.196 3.907 20 0 EHADRM O=C([O-])Nc1cccc(CSc2nnc(N3CCCC3)s2)c1 ZINC000834268303 605639378 /nfs/dbraw/zinc/63/93/78/605639378.db2.gz IYPYECMVQSKPKL-UHFFFAOYSA-N -1 0 336.442 3.521 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)N2CCc3ccc(Cl)cc3C2)cc1 ZINC000834255106 605639789 /nfs/dbraw/zinc/63/97/89/605639789.db2.gz GHUOHDPUBICGRM-UHFFFAOYSA-N -1 0 344.798 3.557 20 0 EHADRM CCc1cc(C)c(C(=O)Nc2ccccc2CN(CC)C(=O)[O-])o1 ZINC000827557428 605645248 /nfs/dbraw/zinc/64/52/48/605645248.db2.gz STGKIHXFPPFBCB-UHFFFAOYSA-N -1 0 330.384 3.903 20 0 EHADRM Cc1cc(C(=O)NCCc2ccc3ccccc3n2)ccc1NC(=O)[O-] ZINC000829951272 605652936 /nfs/dbraw/zinc/65/29/36/605652936.db2.gz ZMLLAYCBBIPCKE-UHFFFAOYSA-N -1 0 349.390 3.606 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCCCc1cccs1 ZINC000833906744 605659335 /nfs/dbraw/zinc/65/93/35/605659335.db2.gz JWERLISLFWSZIW-UHFFFAOYSA-N -1 0 333.413 3.901 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2nc(-c3cccs3)ns2)cc1 ZINC000834256906 605671252 /nfs/dbraw/zinc/67/12/52/605671252.db2.gz SYSIXWVVFCYLRB-UHFFFAOYSA-N -1 0 346.393 3.609 20 0 EHADRM Cc1cc(C(=O)N(C)C[C@H](C)c2ccccc2)ccc1NC(=O)[O-] ZINC000829914316 605671532 /nfs/dbraw/zinc/67/15/32/605671532.db2.gz FWCIYYQCWRGQRB-AWEZNQCLSA-N -1 0 326.396 3.961 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC000740041036 605676425 /nfs/dbraw/zinc/67/64/25/605676425.db2.gz MSBVTBKCDTWNOY-UHFFFAOYSA-N -1 0 340.354 3.845 20 0 EHADRM O=C([O-])Nc1cccc(OC(=O)c2cnc(-c3ccncc3)s2)c1 ZINC000834268910 605690451 /nfs/dbraw/zinc/69/04/51/605690451.db2.gz ZJRQKLFBVULIRX-UHFFFAOYSA-N -1 0 341.348 3.514 20 0 EHADRM O=C([O-])NC1CCC(Nc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000834169494 605696478 /nfs/dbraw/zinc/69/64/78/605696478.db2.gz SNSYOVCQJLMCRI-UHFFFAOYSA-N -1 0 332.322 3.618 20 0 EHADRM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000833604089 605715985 /nfs/dbraw/zinc/71/59/85/605715985.db2.gz CVQJGTFKUFXWEP-IUCAKERBSA-N -1 0 348.296 3.719 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N2CC[C@H](NC(=O)[O-])C[C@@H]2C)cc1 ZINC000824463244 605735231 /nfs/dbraw/zinc/73/52/31/605735231.db2.gz FEPYESAYCLVCBX-VKJFTORMSA-N -1 0 346.471 3.951 20 0 EHADRM O=C([O-])c1ccc(F)c(CN[C@H](c2nccs2)c2ccccc2)c1 ZINC000833780704 605785778 /nfs/dbraw/zinc/78/57/78/605785778.db2.gz AWOLCRTXAPQVHW-INIZCTEOSA-N -1 0 342.395 3.860 20 0 EHADRM CC(C)(C)SCCCC(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC000833446462 605801796 /nfs/dbraw/zinc/80/17/96/605801796.db2.gz CMHRVVXFRGJAOH-UHFFFAOYSA-N -1 0 328.405 3.670 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)CCc2ccc(Cl)cc2)c(F)c1 ZINC000833776709 605802674 /nfs/dbraw/zinc/80/26/74/605802674.db2.gz OVFYAUKZMRGXBF-UHFFFAOYSA-N -1 0 336.746 3.644 20 0 EHADRM C[C@H](OCc1ccccc1)C(=O)OCc1cc(C(=O)[O-])ccc1Cl ZINC000833535251 605810463 /nfs/dbraw/zinc/81/04/63/605810463.db2.gz FJLWWRNOZFUUEG-LBPRGKRZSA-N -1 0 348.782 3.687 20 0 EHADRM Cc1nnc(CNc2ccc(NC(=O)[O-])cc2C(F)(F)F)s1 ZINC000833927506 605857965 /nfs/dbraw/zinc/85/79/65/605857965.db2.gz TVBJZLCKGNKRMP-UHFFFAOYSA-N -1 0 332.307 3.567 20 0 EHADRM CC(C)(C)c1nc2ccc(NC(=O)c3cc(C(=O)[O-])no3)cc2s1 ZINC000833451169 605874229 /nfs/dbraw/zinc/87/42/29/605874229.db2.gz SJWRZOBGZRKHQX-UHFFFAOYSA-N -1 0 345.380 3.532 20 0 EHADRM O=C([O-])N1CCC2(CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)C2)CC1 ZINC000834088345 605875319 /nfs/dbraw/zinc/87/53/19/605875319.db2.gz MVAIAMKCYSRZHX-GVDBMIGSSA-N -1 0 348.487 3.585 20 0 EHADRM Cc1ccsc1CCNC(=O)Nc1cc(NC(=O)[O-])ccc1C ZINC000833906622 605920886 /nfs/dbraw/zinc/92/08/86/605920886.db2.gz IRZBUTFVLXFYFP-UHFFFAOYSA-N -1 0 333.413 3.819 20 0 EHADRM O=C([O-])Nc1ccc(CNc2ccn(-c3ccccc3Cl)n2)cn1 ZINC000834259787 605954498 /nfs/dbraw/zinc/95/44/98/605954498.db2.gz FMIUNECMPHXITO-UHFFFAOYSA-N -1 0 343.774 3.623 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2cnc3c(c2)CCCC3)c(Cl)c1 ZINC000834257208 605968039 /nfs/dbraw/zinc/96/80/39/605968039.db2.gz ZUWGTLOTPKTSCD-UHFFFAOYSA-N -1 0 345.786 3.956 20 0 EHADRM O=C([O-])N1CCC([C@H](NCc2nccs2)c2ccc(F)cc2)CC1 ZINC000834072695 605982666 /nfs/dbraw/zinc/98/26/66/605982666.db2.gz CWVHYZKPTIODPB-MRXNPFEDSA-N -1 0 349.431 3.503 20 0 EHADRM O=C([O-])Nc1cccc(COc2ccccc2NC(=O)C2CC2)c1 ZINC000834269679 605994044 /nfs/dbraw/zinc/99/40/44/605994044.db2.gz MQDORHPPPFENGX-UHFFFAOYSA-N -1 0 326.352 3.704 20 0 EHADRM CC(C)[C@@H](NC(=O)Cc1ccccc1NC(=O)[O-])c1ccc(F)cc1 ZINC000833793467 606041888 /nfs/dbraw/zinc/04/18/88/606041888.db2.gz UCTRLHCZOCCHIN-GOSISDBHSA-N -1 0 344.386 3.972 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N(Cc1ccccc1F)C1CC1 ZINC000834270219 606042223 /nfs/dbraw/zinc/04/22/23/606042223.db2.gz BSUJPEBOHWLPFU-UHFFFAOYSA-N -1 0 342.370 3.649 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)NCc1cccc2ccccc21 ZINC000834274832 606045582 /nfs/dbraw/zinc/04/55/82/606045582.db2.gz QUNSYJBWXHQNFM-UHFFFAOYSA-N -1 0 334.375 3.789 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N1CCC(C2CCCC2)CC1 ZINC000834270931 606065733 /nfs/dbraw/zinc/06/57/33/606065733.db2.gz NUVICOMRDWCLPB-UHFFFAOYSA-N -1 0 330.428 3.748 20 0 EHADRM Cc1cc(C)cc(CSc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000822196580 606731922 /nfs/dbraw/zinc/73/19/22/606731922.db2.gz OKKYQGZZTBCJRX-UHFFFAOYSA-N -1 0 348.435 3.719 20 0 EHADRM CCc1cc(C)c(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)o1 ZINC000191489267 939038341 /nfs/dbraw/zinc/03/83/41/939038341.db2.gz NAJJOYLJAZGLIU-QGZVFWFLSA-N -1 0 337.375 3.859 20 0 EHADRM C[C@H](C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1)c1ccccc1 ZINC000192919595 939038935 /nfs/dbraw/zinc/03/89/35/939038935.db2.gz LLEFGDHVFXDHLD-LIRRHRJNSA-N -1 0 333.387 3.885 20 0 EHADRM C[C@](NC(=O)c1cc(Cl)sc1Cl)(C(=O)[O-])c1ccccc1 ZINC000224756410 939043229 /nfs/dbraw/zinc/04/32/29/939043229.db2.gz DPIDNAIKSHKBAX-CQSZACIVSA-N -1 0 344.219 3.785 20 0 EHADRM CC(C)c1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000684746402 939048742 /nfs/dbraw/zinc/04/87/42/939048742.db2.gz ZNLWASKFAFDWFG-MRXNPFEDSA-N -1 0 330.359 3.897 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1cccc(C(F)F)c1)c1ccccc1F ZINC000684746987 939049456 /nfs/dbraw/zinc/04/94/56/939049456.db2.gz BHBAEGUIARFXTI-CYBMUJFWSA-N -1 0 338.285 3.711 20 0 EHADRM O=C([O-])C1(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)CCCCC1 ZINC000237966255 939052737 /nfs/dbraw/zinc/05/27/37/939052737.db2.gz RACVJMPJLPDIOV-UHFFFAOYSA-N -1 0 348.786 3.512 20 0 EHADRM O=C([O-])C1(NC(=O)c2cccc(OC3CCCCC3)c2)CCCC1 ZINC000237984918 939053438 /nfs/dbraw/zinc/05/34/38/939053438.db2.gz ADLTXGQKIVASOC-UHFFFAOYSA-N -1 0 331.412 3.525 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc(F)c(Cl)cc1Cl)c1ccccc1 ZINC000238028893 939055856 /nfs/dbraw/zinc/05/58/56/939055856.db2.gz ZTZROEKPPYBZHX-CYBMUJFWSA-N -1 0 342.153 3.688 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)NC2(C(=O)[O-])CCSCC2)cc1 ZINC000262164707 939061516 /nfs/dbraw/zinc/06/15/16/939061516.db2.gz NFQXESRBDPOEPD-CQSZACIVSA-N -1 0 349.496 3.770 20 0 EHADRM O=C(/C=C\c1ccccc1)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000762206148 939071281 /nfs/dbraw/zinc/07/12/81/939071281.db2.gz LDBZQOOBQCXEBR-KTZABMDBSA-N -1 0 331.371 3.795 20 0 EHADRM Cc1cccc([C@@H](NC(=O)[C@H](C)c2c(F)cccc2F)C(=O)[O-])c1C ZINC000263023635 939093526 /nfs/dbraw/zinc/09/35/26/939093526.db2.gz MIBYCONBSKUTDW-SJKOYZFVSA-N -1 0 347.361 3.627 20 0 EHADRM O=C([O-])C1(NC(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)CCCCC1 ZINC000263180427 939107056 /nfs/dbraw/zinc/10/70/56/939107056.db2.gz RIHSMPODEOINAM-GFCCVEGCSA-N -1 0 347.308 3.620 20 0 EHADRM CCCOc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccccc2)c(C)c1 ZINC000780459979 939124904 /nfs/dbraw/zinc/12/49/04/939124904.db2.gz YCEGEJUMGWEZQJ-KRWDZBQOSA-N -1 0 342.395 3.731 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2c(s1)CCCCCC2)c1ccccc1 ZINC000324108235 939125387 /nfs/dbraw/zinc/12/53/87/939125387.db2.gz MXFVFMDURTZAFE-QGZVFWFLSA-N -1 0 343.448 3.963 20 0 EHADRM C[C@](NC(=O)Nc1cccc(Oc2ccccc2)c1)(C(=O)[O-])C1CC1 ZINC000326703319 939126834 /nfs/dbraw/zinc/12/68/34/939126834.db2.gz VOZCUHOPWCRRDO-LJQANCHMSA-N -1 0 340.379 3.854 20 0 EHADRM C[C@H](NC(=O)N[C@@](C)(C(=O)[O-])C1CC1)c1csc2ccccc21 ZINC000780564933 939133329 /nfs/dbraw/zinc/13/33/29/939133329.db2.gz GLRIPEUUEQVUKP-DYZYQPBXSA-N -1 0 332.425 3.515 20 0 EHADRM C[C@H](Oc1cccc2ccccc21)C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000430311658 939148589 /nfs/dbraw/zinc/14/85/89/939148589.db2.gz KDDZIXHKDUPVQZ-AWEZNQCLSA-N -1 0 341.407 3.511 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2ccccc2[nH]1)c1ccc2ccccc2c1 ZINC000431854203 939162641 /nfs/dbraw/zinc/16/26/41/939162641.db2.gz MWYFCMKWYCJPCD-LJQANCHMSA-N -1 0 344.370 3.877 20 0 EHADRM Cc1cc(C)cc([C@@H](C)NC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000797720220 939181566 /nfs/dbraw/zinc/18/15/66/939181566.db2.gz GTPXCJKQTJCACQ-FOIQADDNSA-N -1 0 340.423 3.664 20 0 EHADRM CC[C@](NC(=O)[C@@H](C)c1ccccc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507281388 939231463 /nfs/dbraw/zinc/23/14/63/939231463.db2.gz PYLVLPVIYKRBSA-ORAYPTAESA-N -1 0 345.826 3.950 20 0 EHADRM CC[C@@](NC(=O)CCc1ccccc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507296403 939232324 /nfs/dbraw/zinc/23/23/24/939232324.db2.gz ASUWTDIWSBTQGS-IBGZPJMESA-N -1 0 345.826 3.779 20 0 EHADRM COc1ccccc1-c1ccc(C(=O)NC2(C(=O)[O-])CCCC2)s1 ZINC000864099059 939246169 /nfs/dbraw/zinc/24/61/69/939246169.db2.gz AAPTYBXXUXIJHF-UHFFFAOYSA-N -1 0 345.420 3.551 20 0 EHADRM C[C@@H](NC(=O)NC1(C(=O)[O-])CCCC1)c1cc2ccccc2s1 ZINC000516886246 939246182 /nfs/dbraw/zinc/24/61/82/939246182.db2.gz DCJBZLYEWNSQMV-LLVKDONJSA-N -1 0 332.425 3.659 20 0 EHADRM CSCCc1ccc(NC(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC000518594870 939250536 /nfs/dbraw/zinc/25/05/36/939250536.db2.gz XOMFMKMNXAUSOE-UHFFFAOYSA-N -1 0 336.457 3.501 20 0 EHADRM CC[C@](NC(=O)Nc1cc(C)cc(C)c1)(C(=O)[O-])c1ccccc1 ZINC000520704940 939255220 /nfs/dbraw/zinc/25/52/20/939255220.db2.gz KATXORJNAJOYOT-LJQANCHMSA-N -1 0 326.396 3.815 20 0 EHADRM CC[C@](NC(=O)c1sccc1C(F)F)(C(=O)[O-])c1ccccc1 ZINC000872711900 939262337 /nfs/dbraw/zinc/26/23/37/939262337.db2.gz QFHZAMSOVQEEBQ-MRXNPFEDSA-N -1 0 339.363 3.806 20 0 EHADRM Cc1cc([C@@H](NC(=O)Nc2ccccc2Cl)C(=O)[O-])ccc1F ZINC000555760241 939302090 /nfs/dbraw/zinc/30/20/90/939302090.db2.gz KZJGKQLOXAEMKP-CQSZACIVSA-N -1 0 336.750 3.735 20 0 EHADRM CCO[C@@H]1C[C@@](NC(=O)Nc2cccc(C(C)C)c2)(C(=O)[O-])C1(C)C ZINC000555852983 939307056 /nfs/dbraw/zinc/30/70/56/939307056.db2.gz QJVOZHLKBHFUIR-DNVCBOLYSA-N -1 0 348.443 3.590 20 0 EHADRM CC1(C)C[C@H](NC(=O)N[C@@H](C(=O)[O-])c2ccccc2)c2ccccc21 ZINC000563926157 939342343 /nfs/dbraw/zinc/34/23/43/939342343.db2.gz LRIHYDJFPYHSDV-DLBZAZTESA-N -1 0 338.407 3.534 20 0 EHADRM CC(C)[C@H](CNC(=O)N[C@@H](C(=O)[O-])c1ccsc1)c1ccccc1 ZINC000565407394 939348852 /nfs/dbraw/zinc/34/88/52/939348852.db2.gz ZOLFVPWKEVZDBW-JKSUJKDBSA-N -1 0 346.452 3.613 20 0 EHADRM C[C@@H](NC(=O)NC1(C(=O)[O-])CCCC1)c1cccc2ccccc21 ZINC000565734845 939351196 /nfs/dbraw/zinc/35/11/96/939351196.db2.gz RJQSERGXDBCBKT-CYBMUJFWSA-N -1 0 326.396 3.597 20 0 EHADRM Cc1ccc([C@H](NC(=O)Nc2cccc(C)c2C)C(=O)[O-])cc1C ZINC000570506113 939383645 /nfs/dbraw/zinc/38/36/45/939383645.db2.gz PBFVNTMHLLPNEW-KRWDZBQOSA-N -1 0 326.396 3.868 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2ccccn2c1)c1ccc2ccccc2c1 ZINC000575817579 939734253 /nfs/dbraw/zinc/73/42/53/939734253.db2.gz XMLRBMAZEYFMPN-LJQANCHMSA-N -1 0 344.370 3.648 20 0 EHADRM Cc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC000576214556 939737641 /nfs/dbraw/zinc/73/76/41/939737641.db2.gz PXECSMVCUQCHOL-AWEZNQCLSA-N -1 0 336.750 3.735 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000578091819 939751743 /nfs/dbraw/zinc/75/17/43/939751743.db2.gz ADQYIDZKGWWQSZ-ZDUSSCGKSA-N -1 0 344.411 3.889 20 0 EHADRM CC[C@](NC(=O)CCc1cccc(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC000583059914 939788486 /nfs/dbraw/zinc/78/84/86/939788486.db2.gz LIVMDBPRIMNUBJ-LJQANCHMSA-N -1 0 345.826 3.779 20 0 EHADRM O=C([O-])[C@H](NC(=O)C1CCC(c2ccccc2)CC1)c1ccsc1 ZINC000583764505 939793333 /nfs/dbraw/zinc/79/33/33/939793333.db2.gz KWXIITACTNIESA-VMBOVVBDSA-N -1 0 343.448 3.964 20 0 EHADRM Cc1cccc([C@H](NC(=O)N[C@H](C)c2ccsc2)C(=O)[O-])c1C ZINC000929033376 939795274 /nfs/dbraw/zinc/79/52/74/939795274.db2.gz IACRRLQGEJSOOW-DOMZBBRYSA-N -1 0 332.425 3.551 20 0 EHADRM O=C(/C=C\c1cccs1)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000588593022 939800747 /nfs/dbraw/zinc/80/07/47/939800747.db2.gz XUWKXKZDNPANHH-HJCTWCACSA-N -1 0 337.400 3.857 20 0 EHADRM Cc1ccc([C@@H](NC(=O)CC2CCC(F)(F)CC2)C(=O)[O-])cc1C ZINC000630203895 939818121 /nfs/dbraw/zinc/81/81/21/939818121.db2.gz MXRKNYADEGYWOP-MRXNPFEDSA-N -1 0 339.382 3.761 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CC1CC(c2ccccc2)C1)c1ccccc1F ZINC000648333431 939832084 /nfs/dbraw/zinc/83/20/84/939832084.db2.gz TUXXWXHYNQHOKW-XBMPDCEQSA-N -1 0 341.382 3.652 20 0 EHADRM C[C@@H](CCC(=O)N[C@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000649361962 939832612 /nfs/dbraw/zinc/83/26/12/939832612.db2.gz ARLHLAJHDJKTKB-UGSOOPFHSA-N -1 0 329.371 3.652 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1ccc(C2CCC2)cc1)c1ccsc1 ZINC000654796941 939839477 /nfs/dbraw/zinc/83/94/77/939839477.db2.gz DVGWEXDNDSVIEC-HNNXBMFYSA-N -1 0 330.409 3.963 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)CC2CCC(C(F)(F)F)CC2)(C(=O)[O-])CC1 ZINC000659181537 939850198 /nfs/dbraw/zinc/85/01/98/939850198.db2.gz PQBLDRAEYBNLCA-GKGIWJEVSA-N -1 0 349.393 3.895 20 0 EHADRM C[C@H](NC(=O)[C@H](C(=O)[O-])C1CC1)c1ccc(Cl)c2ccccc21 ZINC000663046637 939851154 /nfs/dbraw/zinc/85/11/54/939851154.db2.gz ASUQIANOIVUATL-MGPLVRAMSA-N -1 0 331.799 3.781 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1ccc(Oc2ccncc2)cc1)C1CCCC1 ZINC000663070440 939852505 /nfs/dbraw/zinc/85/25/05/939852505.db2.gz MVBPRPANFGPAIA-QGZVFWFLSA-N -1 0 340.379 3.703 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)[C@H](C(=O)[O-])C2CCCC2)cc1 ZINC000663072199 939852764 /nfs/dbraw/zinc/85/27/64/939852764.db2.gz NKDDUPMLQQXWBF-OAHLLOKOSA-N -1 0 331.412 3.745 20 0 EHADRM C[C@@H](NC(=O)[C@H](C(=O)[O-])C1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000663077228 939852882 /nfs/dbraw/zinc/85/28/82/939852882.db2.gz IWQQSYRZRLENNT-QMTHXVAHSA-N -1 0 343.345 3.774 20 0 EHADRM Cc1oc(C)c(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)c1C ZINC000671667099 939863430 /nfs/dbraw/zinc/86/34/30/939863430.db2.gz ANNIZWCLAOIOCP-GOSISDBHSA-N -1 0 337.375 3.914 20 0 EHADRM Cc1oc(C)c(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1C ZINC000671667135 939863449 /nfs/dbraw/zinc/86/34/49/939863449.db2.gz GVTLRKHGGAZTME-AWEZNQCLSA-N -1 0 339.750 3.553 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N[C@@]1(C(=O)[O-])CCc2ccccc21 ZINC000675991831 939867956 /nfs/dbraw/zinc/86/79/56/939867956.db2.gz UMNKCJIQXPPDOY-NRFANRHFSA-N -1 0 349.386 3.706 20 0 EHADRM CCCCCC[C@@H](C)NC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000321679938 970796786 /nfs/dbraw/zinc/79/67/86/970796786.db2.gz JOAYCFXEAQDMMZ-CABCVRRESA-N -1 0 326.481 3.878 20 0 EHADRM CCC(CC)(CNC(=O)N(C)[C@H](C)c1ccccc1Cl)C(=O)[O-] ZINC000321772135 970805568 /nfs/dbraw/zinc/80/55/68/970805568.db2.gz PWWOXJODKMIXTR-GFCCVEGCSA-N -1 0 340.851 3.933 20 0 EHADRM O=C([O-])[C@@H]1CCCCCN1C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000321796262 970809073 /nfs/dbraw/zinc/80/90/73/970809073.db2.gz SIKVCQASDKQZIO-LBPRGKRZSA-N -1 0 347.358 3.768 20 0 EHADRM C[C@@H]1CCc2c(C(=O)NCC3(C(=O)[O-])CCCCC3)csc2C1 ZINC000322062077 970842298 /nfs/dbraw/zinc/84/22/98/970842298.db2.gz MACKTFJLACMENK-GFCCVEGCSA-N -1 0 335.469 3.638 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)Nc2c(F)cccc2Cl)C1 ZINC000322629188 970911954 /nfs/dbraw/zinc/91/19/54/970911954.db2.gz RNBACOPGNKVNIJ-SNVBAGLBSA-N -1 0 342.798 3.834 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1sc2ccccc2c1Cl ZINC000322635369 970912963 /nfs/dbraw/zinc/91/29/63/970912963.db2.gz SFIDLBWNDJOSIJ-RBZYPMLTSA-N -1 0 349.839 3.880 20 0 EHADRM Cc1ccc(NC(=O)OC(C)(C)C)cc1-c1nc([C@H](C)C(=O)[O-])no1 ZINC001611186155 970928921 /nfs/dbraw/zinc/92/89/21/970928921.db2.gz PEKOWNLCKRYXPK-JTQLQIEISA-N -1 0 347.371 3.580 20 0 EHADRM COCc1ccc(NC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000323658804 971028077 /nfs/dbraw/zinc/02/80/77/971028077.db2.gz CEJIVRJRPZBUFH-UHFFFAOYSA-N -1 0 334.759 3.829 20 0 EHADRM Cc1ccc(NC(=O)CCCOc2ccccc2C)c(C(=O)[O-])c1 ZINC000323921334 971058952 /nfs/dbraw/zinc/05/89/52/971058952.db2.gz VJKYCCIBRBHJSQ-UHFFFAOYSA-N -1 0 327.380 3.799 20 0 EHADRM COc1cc(Cl)ccc1-c1noc([C@H]2CCC[C@H](C(=O)[O-])C2)n1 ZINC000323929630 971060077 /nfs/dbraw/zinc/06/00/77/971060077.db2.gz POEFUWBNDYDESJ-UWVGGRQHSA-N -1 0 336.775 3.757 20 0 EHADRM CCC1CCC(NC(=O)c2cc3cc(C)ccc3o2)(C(=O)[O-])CC1 ZINC000324402063 971117364 /nfs/dbraw/zinc/11/73/64/971117364.db2.gz BCGMJPJAPCTOSV-UHFFFAOYSA-N -1 0 329.396 3.895 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cnc(C(C)(C)C)nc2)c1 ZINC000460819793 1032058904 /nfs/dbraw/zinc/05/89/04/1032058904.db2.gz KBKIJVZWUWTELT-UHFFFAOYSA-N -1 0 333.457 3.698 20 0 EHADRM COc1ccc(C(=O)[O-])cc1COc1c(F)c(F)c(F)c(F)c1F ZINC000324470388 971123501 /nfs/dbraw/zinc/12/35/01/971123501.db2.gz ATXCXGVRDVFFNP-UHFFFAOYSA-N -1 0 348.223 3.668 20 0 EHADRM C[C@@H](CCc1ccccc1)NC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000324675212 971146240 /nfs/dbraw/zinc/14/62/40/971146240.db2.gz IFFMLXVWYIZHEP-LBPRGKRZSA-N -1 0 330.359 3.667 20 0 EHADRM C[C@H](CCc1ccccc1)NC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000324675211 971146697 /nfs/dbraw/zinc/14/66/97/971146697.db2.gz IFFMLXVWYIZHEP-GFCCVEGCSA-N -1 0 330.359 3.667 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc(Cl)nc3ccccc32)ccc1F ZINC000324707599 971150634 /nfs/dbraw/zinc/15/06/34/971150634.db2.gz AJDHBDBYMCUJDB-UHFFFAOYSA-N -1 0 344.729 3.978 20 0 EHADRM O=C([O-])CC1(CNC(=O)C2(c3ccccc3)CCC2)CCCCC1 ZINC000324748378 971154144 /nfs/dbraw/zinc/15/41/44/971154144.db2.gz PJPAKJITVUIENU-UHFFFAOYSA-N -1 0 329.440 3.650 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)Nc1ccc2sccc2c1)c1ccccc1 ZINC000324913666 971169033 /nfs/dbraw/zinc/16/90/33/971169033.db2.gz QMHFNNMYLFZVHL-HNNXBMFYSA-N -1 0 340.404 3.891 20 0 EHADRM Cc1oc(CNC(=O)C2(c3cccc(Cl)c3)CCC2)cc1C(=O)[O-] ZINC000325106242 971185782 /nfs/dbraw/zinc/18/57/82/971185782.db2.gz ZTVBEXQHYSTNKM-UHFFFAOYSA-N -1 0 347.798 3.678 20 0 EHADRM Cc1cccc(Cl)c1NC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000325397020 971212518 /nfs/dbraw/zinc/21/25/18/971212518.db2.gz XGQRXRYIAFIYKD-UHFFFAOYSA-N -1 0 344.798 3.937 20 0 EHADRM O=C([O-])c1nn(-c2ccccc2)cc1OCc1cccc(Cl)c1F ZINC000326084568 971265214 /nfs/dbraw/zinc/26/52/14/971265214.db2.gz QAWGHCRYWLTJRC-UHFFFAOYSA-N -1 0 346.745 3.942 20 0 EHADRM CC1(C)CC(NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)CC(C)(C)C1 ZINC000326161087 971271970 /nfs/dbraw/zinc/27/19/70/971271970.db2.gz ANLJLBRGOQPGBX-CQSZACIVSA-N -1 0 338.492 3.878 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(F)c3ccccc23)cc1O ZINC000326250297 971277855 /nfs/dbraw/zinc/27/78/55/971277855.db2.gz BIYVNMFPAPVCGZ-UHFFFAOYSA-N -1 0 325.295 3.635 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1 ZINC000326404132 971289452 /nfs/dbraw/zinc/28/94/52/971289452.db2.gz RASXBEOQGAZPHY-UHFFFAOYSA-N -1 0 348.742 3.518 20 0 EHADRM CCCOc1cccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)c1 ZINC000326719123 971321797 /nfs/dbraw/zinc/32/17/97/971321797.db2.gz CEWJBMMXMXYZQE-UHFFFAOYSA-N -1 0 335.306 3.704 20 0 EHADRM CCC1CCC(NC(=O)Cc2coc3cc(C)ccc23)(C(=O)[O-])CC1 ZINC000326768677 971325891 /nfs/dbraw/zinc/32/58/91/971325891.db2.gz QGYWXHFDVKQEEQ-UHFFFAOYSA-N -1 0 343.423 3.824 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(OC)c1)c1ccccc1 ZINC000326872953 971338818 /nfs/dbraw/zinc/33/88/18/971338818.db2.gz AJJKTTPQVUHZAD-HNNXBMFYSA-N -1 0 328.368 3.666 20 0 EHADRM CC(C)OCc1ccc(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000327061762 971362386 /nfs/dbraw/zinc/36/23/86/971362386.db2.gz BAKNYEJACAFTLT-UHFFFAOYSA-N -1 0 349.333 3.840 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)CCc1ccccc1O ZINC000327313480 971386470 /nfs/dbraw/zinc/38/64/70/971386470.db2.gz RLPVDGZUVWCAMB-UHFFFAOYSA-N -1 0 335.359 3.815 20 0 EHADRM N#Cc1ccc(-c2ccc(OCc3cccc(C(=O)[O-])n3)cc2)cc1 ZINC000327774402 971424381 /nfs/dbraw/zinc/42/43/81/971424381.db2.gz XESFIBFEUBAOSE-UHFFFAOYSA-N -1 0 330.343 3.897 20 0 EHADRM O=C([O-])Cc1ccccc1CNC(=O)c1ccc(F)c2ccccc12 ZINC000327839839 971428526 /nfs/dbraw/zinc/42/85/26/971428526.db2.gz KHVHNFZOHSZCOZ-UHFFFAOYSA-N -1 0 337.350 3.536 20 0 EHADRM Cc1cc(-c2noc([C@@H]3CCC[C@@H](C(=O)[O-])C3)n2)nc2ccccc12 ZINC000328005450 971440388 /nfs/dbraw/zinc/44/03/88/971440388.db2.gz KAPUDCSAZLJBJO-CHWSQXEVSA-N -1 0 337.379 3.952 20 0 EHADRM CCOc1ccc(SCC(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000013166144 948778187 /nfs/dbraw/zinc/77/81/87/948778187.db2.gz WOQAMDNDWZPLAS-UHFFFAOYSA-N -1 0 331.393 3.514 20 0 EHADRM CC[C@H](CNc1nc(C)nc2sc3c(c21)CC[C@H](C)C3)C(=O)[O-] ZINC001589555466 948790259 /nfs/dbraw/zinc/79/02/59/948790259.db2.gz TVHVJDWJZGQQOO-GXSJLCMTSA-N -1 0 333.457 3.647 20 0 EHADRM Cc1ccc(-c2csc3ncnc(N(C)CCC(=O)[O-])c23)cc1 ZINC000020317872 948793469 /nfs/dbraw/zinc/79/34/69/948793469.db2.gz FLAWNSPCXMLNKX-UHFFFAOYSA-N -1 0 327.409 3.578 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(CC)C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001589561112 948810317 /nfs/dbraw/zinc/81/03/17/948810317.db2.gz HSFOSYLEWAAEMI-INIZCTEOSA-N -1 0 341.411 3.655 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001589561536 948818767 /nfs/dbraw/zinc/81/87/67/948818767.db2.gz YFMQFTFFIATMBY-INIZCTEOSA-N -1 0 341.411 3.573 20 0 EHADRM CC[C@H](NC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21)C1CCCC1 ZINC001589565052 948854033 /nfs/dbraw/zinc/85/40/33/948854033.db2.gz YZQFGIMNGZNRRK-ULQDDVLXSA-N -1 0 330.428 3.568 20 0 EHADRM CC(C)C[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC000345203462 971518489 /nfs/dbraw/zinc/51/84/89/971518489.db2.gz ASICVZUBALWTCO-ZDUSSCGKSA-N -1 0 335.400 3.783 20 0 EHADRM Cc1oc(CNC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)cc1C(=O)[O-] ZINC000345881570 971519826 /nfs/dbraw/zinc/51/98/26/971519826.db2.gz ZMKMZFGQCYDTQF-RBUKOAKNSA-N -1 0 349.386 3.859 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1c[nH]cc1-c1ccccc1)CC2 ZINC000347385614 971525316 /nfs/dbraw/zinc/52/53/16/971525316.db2.gz DFINBTUYDQWBQZ-UHFFFAOYSA-N -1 0 346.386 3.578 20 0 EHADRM CCCC[C@H](NC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000347256842 971522001 /nfs/dbraw/zinc/52/20/01/971522001.db2.gz GTZAUTLCXDJBIL-HZMBPMFUSA-N -1 0 346.254 3.932 20 0 EHADRM CCCC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000347255832 971522121 /nfs/dbraw/zinc/52/21/21/971522121.db2.gz DTGHATNXEISIAL-WDMOLILDSA-N -1 0 344.238 3.857 20 0 EHADRM CSc1cccc(N(C)C(=O)CCc2ccccc2C(=O)[O-])c1 ZINC000347355337 971523404 /nfs/dbraw/zinc/52/34/04/971523404.db2.gz WFNQTQIOLNHOST-UHFFFAOYSA-N -1 0 329.421 3.702 20 0 EHADRM CCC(CC)(C(=O)N[C@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC000357031663 971530445 /nfs/dbraw/zinc/53/04/45/971530445.db2.gz RGJMMAUXTKLUEM-GOSISDBHSA-N -1 0 339.435 3.557 20 0 EHADRM Cc1[nH]c2ccc(C(=O)N(C)Cc3cc(C(=O)[O-])c(C)o3)cc2c1C ZINC000362748182 971536817 /nfs/dbraw/zinc/53/68/17/971536817.db2.gz OZCAFMCSRFFDMH-UHFFFAOYSA-N -1 0 340.379 3.657 20 0 EHADRM Cc1cc(C)cc([C@@H]2CCN(C(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)C2)c1 ZINC000369167907 971551981 /nfs/dbraw/zinc/55/19/81/971551981.db2.gz QPVXQIRBRYPLBG-BRWVUGGUSA-N -1 0 329.440 3.510 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc3ccccc3cc2F)C1 ZINC001589603260 949206452 /nfs/dbraw/zinc/20/64/52/949206452.db2.gz LFDWNCKZWZTBAB-LJQANCHMSA-N -1 0 329.371 3.696 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2C[C@H]3CCCC[C@]32c2ccccc2)C1 ZINC000378526482 971567583 /nfs/dbraw/zinc/56/75/83/971567583.db2.gz OGGKMXYHIIRDRF-LZKITUNOSA-N -1 0 341.451 3.805 20 0 EHADRM Cc1cc(Br)c(NC(=O)CCCC(=O)[O-])cc1Cl ZINC000131613593 949290152 /nfs/dbraw/zinc/29/01/52/949290152.db2.gz MKXZRIAUHMXHIC-UHFFFAOYSA-N -1 0 334.597 3.604 20 0 EHADRM CC[C@@H]1CCCc2sc(NC(=O)[C@]3(C(=O)[O-])CC=CCC3)nc21 ZINC001589623761 949450264 /nfs/dbraw/zinc/45/02/64/949450264.db2.gz YTVIBMPHZMROTM-DIFFPNOSSA-N -1 0 334.441 3.723 20 0 EHADRM CC[C@@H]1CCc2c(sc(NC(=O)c3cc(C)no3)c2C(=O)[O-])C1 ZINC001589623742 949450307 /nfs/dbraw/zinc/45/03/07/949450307.db2.gz YLWCFNTZWVFKBV-SECBINFHSA-N -1 0 334.397 3.510 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCc3cccc(C(F)(F)F)c3C2)c1 ZINC001595240909 949453041 /nfs/dbraw/zinc/45/30/41/949453041.db2.gz QLGAFNKDIIDUGT-UHFFFAOYSA-N -1 0 349.308 3.602 20 0 EHADRM Cc1cc(C(=O)N(CC(=O)[O-])C(C)C)c(C)n1[C@H](C)c1ccccc1 ZINC000178065947 949484896 /nfs/dbraw/zinc/48/48/96/949484896.db2.gz SUBXDHYNKYMVNU-OAHLLOKOSA-N -1 0 342.439 3.649 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)[C@@H]2CCC[C@@H]2Cc2ccccc2)c1 ZINC001595243414 949488282 /nfs/dbraw/zinc/48/82/82/949488282.db2.gz WEOBAHRRDACKNR-IEBWSBKVSA-N -1 0 337.419 3.660 20 0 EHADRM CCC[C@@H](CCc1ccccc1)NC(=O)Nc1cccnc1C(=O)[O-] ZINC001589632037 949559973 /nfs/dbraw/zinc/55/99/73/949559973.db2.gz HWLHZALJPSUMSH-HNNXBMFYSA-N -1 0 341.411 3.703 20 0 EHADRM CCC[C@@H](Cc1ccccc1)NC(=O)NCC(CC)(CC)C(=O)[O-] ZINC001589632575 949568938 /nfs/dbraw/zinc/56/89/38/949568938.db2.gz WVODUSYIGGLEHB-INIZCTEOSA-N -1 0 334.460 3.588 20 0 EHADRM Cc1ccc(SCCC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)cc1C ZINC000379017781 971590482 /nfs/dbraw/zinc/59/04/82/971590482.db2.gz BGIROWKBSZMHIY-CABCVRRESA-N -1 0 335.469 3.545 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N1CC[C@H](c2c(F)cccc2F)C1 ZINC001595256278 949619890 /nfs/dbraw/zinc/61/98/90/949619890.db2.gz VNASNUFRIGSWNY-NSHDSACASA-N -1 0 346.333 3.684 20 0 EHADRM CCCCCC[C@@H](C)NC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001589645081 949717805 /nfs/dbraw/zinc/71/78/05/949717805.db2.gz MTGQGLNDQQDKOY-BEFAXECRSA-N -1 0 334.460 3.687 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)C2(c3cccc(Cl)c3)CCC2)C1 ZINC000379069422 971596783 /nfs/dbraw/zinc/59/67/83/971596783.db2.gz SRYZAUGCXNUVHR-DOMZBBRYSA-N -1 0 335.831 3.521 20 0 EHADRM O=C([O-])c1csc(SCc2c(F)c(F)c(F)c(F)c2F)n1 ZINC000379143772 971604734 /nfs/dbraw/zinc/60/47/34/971604734.db2.gz GNUDTFMUCACOQW-UHFFFAOYSA-N -1 0 341.282 3.829 20 0 EHADRM CCCCOc1ccc(C(=O)N2CCC[C@@]2(C)C(=O)[O-])c(Cl)c1 ZINC001589654261 949801601 /nfs/dbraw/zinc/80/16/01/949801601.db2.gz OADHYZXDEMGLCC-KRWDZBQOSA-N -1 0 339.819 3.598 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000236578254 949923387 /nfs/dbraw/zinc/92/33/87/949923387.db2.gz GMNNDWQMDXDGIX-HNNXBMFYSA-N -1 0 333.428 3.723 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Oc1c(Br)ccc2ccccc21 ZINC001595277830 949941392 /nfs/dbraw/zinc/94/13/92/949941392.db2.gz ONDKLHTVHNEFJQ-NEPJUHHUSA-N -1 0 349.180 3.619 20 0 EHADRM Cc1sc(C(=O)N(C)C[C@@H](C)C(=O)[O-])cc1-c1ccc(F)cc1 ZINC000237576773 949968208 /nfs/dbraw/zinc/96/82/08/949968208.db2.gz VDPICEUOTDPDSZ-SNVBAGLBSA-N -1 0 335.400 3.655 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cccc(OCc3cccnc3)c2)c1 ZINC000238227903 949996574 /nfs/dbraw/zinc/99/65/74/949996574.db2.gz DEFUFQRYOYYIMA-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2nc3ccccc3n2C2CCCC2)C1 ZINC000262827876 950169945 /nfs/dbraw/zinc/16/99/45/950169945.db2.gz BIOJEZBPLPTABX-QWHCGFSZSA-N -1 0 341.411 3.591 20 0 EHADRM Cc1cc(NC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)ccc1C(F)(F)F ZINC000263040426 950227112 /nfs/dbraw/zinc/22/71/12/950227112.db2.gz CFUSDKPHVOCJMY-KOLCDFICSA-N -1 0 344.333 3.588 20 0 EHADRM CCCn1ccc2ccc(NC(=O)N3C[C@H](C)C[C@@H](C(=O)[O-])C3)cc21 ZINC000263115978 950273643 /nfs/dbraw/zinc/27/36/43/950273643.db2.gz LMAJIEIPZKAXDT-UKRRQHHQSA-N -1 0 343.427 3.626 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000263119260 950275405 /nfs/dbraw/zinc/27/54/05/950275405.db2.gz FAWRHAURHRQWLI-RPTUDFQQSA-N -1 0 337.419 3.655 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)C1 ZINC000263308371 950359299 /nfs/dbraw/zinc/35/92/99/950359299.db2.gz HOYBOYMAPQZXHM-OPGCRTJHSA-N -1 0 337.419 3.513 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000263333735 950375782 /nfs/dbraw/zinc/37/57/82/950375782.db2.gz MAENIVVTGRHKNB-GOEBONIOSA-N -1 0 339.391 3.662 20 0 EHADRM O=C([O-])[C@@H](Cc1ccccc1)N[C@H](CCc1ccccc1)C(F)F ZINC000263376240 950417505 /nfs/dbraw/zinc/41/75/05/950417505.db2.gz ANPXBPHTXFTWJM-IAGOWNOFSA-N -1 0 333.378 3.538 20 0 EHADRM Cc1ccc(OCc2ccccc2)c(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])c1 ZINC000263573175 950513229 /nfs/dbraw/zinc/51/32/29/950513229.db2.gz LZRINBNVARBJJL-JKSUJKDBSA-N -1 0 339.391 3.623 20 0 EHADRM CC[N@H+](Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)Cc1occc1C ZINC001589736784 950546979 /nfs/dbraw/zinc/54/69/79/950546979.db2.gz OHBLITBZRLUEKV-OAHLLOKOSA-N -1 0 346.427 3.504 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC000315054882 950832953 /nfs/dbraw/zinc/83/29/53/950832953.db2.gz CEARBXHXIOQSNH-JTQLQIEISA-N -1 0 328.771 3.588 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)CCSc2ccc(Cl)cc2)c1 ZINC000315934700 950861271 /nfs/dbraw/zinc/86/12/71/950861271.db2.gz ICOOLNWFYCTJJO-UHFFFAOYSA-N -1 0 336.800 3.554 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)C(c1ccccc1)c1ccccc1 ZINC001594984482 951010665 /nfs/dbraw/zinc/01/06/65/951010665.db2.gz FRKMTCKHWOONHJ-GOSISDBHSA-N -1 0 337.419 3.674 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1)CC(=O)[O-] ZINC000321984414 951023159 /nfs/dbraw/zinc/02/31/59/951023159.db2.gz DDBUZVSUGAALFL-NSHDSACASA-N -1 0 331.334 3.572 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCCC[C@H]2CCC(=O)[O-])o1 ZINC000324265759 951063646 /nfs/dbraw/zinc/06/36/46/951063646.db2.gz IXVHAEMRQYCMFD-IJEWVQPXSA-N -1 0 333.428 3.582 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2oc3c(cccc3F)c2C)C1 ZINC000324847293 951075845 /nfs/dbraw/zinc/07/58/45/951075845.db2.gz DZUXALAMRJWSSL-GOSISDBHSA-N -1 0 333.359 3.597 20 0 EHADRM CSc1ccc(NC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1 ZINC000325731217 951091135 /nfs/dbraw/zinc/09/11/35/951091135.db2.gz VWFDNGNATHZYRS-INIZCTEOSA-N -1 0 342.420 3.624 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)Cc2ccccc21 ZINC000327024052 951106995 /nfs/dbraw/zinc/10/69/95/951106995.db2.gz DYYCEQZYKIWACX-HNNXBMFYSA-N -1 0 349.308 3.530 20 0 EHADRM CCn1nc(CN2CC[C@@H](C(=O)[O-])c3ccccc32)c2ccccc21 ZINC000326967683 951108059 /nfs/dbraw/zinc/10/80/59/951108059.db2.gz OVIMZELVWNEGHJ-OAHLLOKOSA-N -1 0 335.407 3.635 20 0 EHADRM CC[C@@H](NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)C1CCCCC1 ZINC000327486076 951115336 /nfs/dbraw/zinc/11/53/36/951115336.db2.gz INQQRJPEBDTJCL-ZWKOTPCHSA-N -1 0 344.455 3.739 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)Nc1ccccc1N1CCCCC1 ZINC000328003976 951121335 /nfs/dbraw/zinc/12/13/35/951121335.db2.gz VCPTUSPAHKNUCQ-UHFFFAOYSA-N -1 0 338.407 3.556 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1C(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000347734296 951133608 /nfs/dbraw/zinc/13/36/08/951133608.db2.gz NAMLRFYNRDVXPD-HNNXBMFYSA-N -1 0 341.432 3.593 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)Nc2nc(C3CCC3)cs2)C1 ZINC001595015348 951280973 /nfs/dbraw/zinc/28/09/73/951280973.db2.gz UNCNTOJIEBRQSH-NSHDSACASA-N -1 0 337.445 3.519 20 0 EHADRM O=C([O-])c1csc(SCc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000381021984 971732853 /nfs/dbraw/zinc/73/28/53/971732853.db2.gz LRDSBPULIKEUQE-UHFFFAOYSA-N -1 0 330.774 3.695 20 0 EHADRM O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)c2cc3ccccn3c2)C1 ZINC001595024763 951332957 /nfs/dbraw/zinc/33/29/57/951332957.db2.gz LRYTVLMMPBUVME-OAHLLOKOSA-N -1 0 348.402 3.623 20 0 EHADRM O=C([O-])CC[C@@H]1Cc2ccccc2N(C[C@H]2CCC3(CCC3)O2)C1 ZINC001595024731 951333281 /nfs/dbraw/zinc/33/32/81/951333281.db2.gz KIAAIIGJVXXXCC-NVXWUHKLSA-N -1 0 329.440 3.632 20 0 EHADRM Cc1cc(NC(=O)NC[C@H]2CCCCC2(F)F)ccc1C(=O)[O-] ZINC000390208866 951372162 /nfs/dbraw/zinc/37/21/62/951372162.db2.gz XBTXNNFGRLILOM-LLVKDONJSA-N -1 0 326.343 3.640 20 0 EHADRM CCOc1cccc(/C=C/C(=O)OCc2ccc(C(=O)[O-])cc2)c1 ZINC001592863357 951376660 /nfs/dbraw/zinc/37/66/60/951376660.db2.gz XUXGLQMRYQLTQU-DHZHZOJOSA-N -1 0 326.348 3.540 20 0 EHADRM Cc1ccccc1CN(C)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000392630229 951425471 /nfs/dbraw/zinc/42/54/71/951425471.db2.gz UBYRHXZIYGEPHH-UHFFFAOYSA-N -1 0 326.396 3.676 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000397086693 951519425 /nfs/dbraw/zinc/51/94/25/951519425.db2.gz SSMRRMLMCHIYOA-RKDXNWHRSA-N -1 0 331.199 3.710 20 0 EHADRM O=C([O-])CN1CC[C@@H](Sc2ccc(C3CCCCC3)cc2)C1=O ZINC001595081596 951685157 /nfs/dbraw/zinc/68/51/57/951685157.db2.gz KHXVJPJGPPTKMI-MRXNPFEDSA-N -1 0 333.453 3.512 20 0 EHADRM O=C([O-])COc1ccc(C(=O)Nc2ccc3sccc3c2)cc1 ZINC001595119268 951963577 /nfs/dbraw/zinc/96/35/77/951963577.db2.gz PIXAWJUNQMKMAQ-UHFFFAOYSA-N -1 0 327.361 3.617 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC001595132079 952039098 /nfs/dbraw/zinc/03/90/98/952039098.db2.gz FIZCTTDNYVRPBY-LBPRGKRZSA-N -1 0 344.333 3.510 20 0 EHADRM O=C([O-])Cc1cccc(NCc2cc(F)ccc2OC(F)F)c1 ZINC001595132426 952043790 /nfs/dbraw/zinc/04/37/90/952043790.db2.gz AHDNQGMIUBGBHW-UHFFFAOYSA-N -1 0 325.286 3.666 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)NCc2ccc(C3CCCCC3)cc2)C1 ZINC001595164359 952202074 /nfs/dbraw/zinc/20/20/74/952202074.db2.gz GFVXANCZHUMVTP-GOSISDBHSA-N -1 0 344.455 3.741 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N(Cc1ccccc1F)c1ccc(F)cc1 ZINC001595177976 952242676 /nfs/dbraw/zinc/24/26/76/952242676.db2.gz AWDRKXJODFFVNT-HZPDHXFCSA-N -1 0 345.345 3.609 20 0 EHADRM O=C([O-])c1ccc(Br)c(NCc2ncc(C3CC3)o2)c1 ZINC001595214142 952365087 /nfs/dbraw/zinc/36/50/87/952365087.db2.gz OBCBCHQTPGXGRB-UHFFFAOYSA-N -1 0 337.173 3.625 20 0 EHADRM COc1cc(NC(=O)N(C)[C@H](C)c2ccccc2)ccc1C(=O)[O-] ZINC000383609346 971880021 /nfs/dbraw/zinc/88/00/21/971880021.db2.gz ABVCWZVPHCDDLY-GFCCVEGCSA-N -1 0 328.368 3.618 20 0 EHADRM CC(C)(C)c1ccc(CSCC(=O)NC2(CC(=O)[O-])CCC2)cc1 ZINC001602922991 971883460 /nfs/dbraw/zinc/88/34/60/971883460.db2.gz LQOCRGBSBUPLIB-UHFFFAOYSA-N -1 0 349.496 3.731 20 0 EHADRM CCSc1cccc(F)c1NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001593598605 953390202 /nfs/dbraw/zinc/39/02/02/953390202.db2.gz SZXHZSNSMAZLMQ-UHFFFAOYSA-N -1 0 349.383 3.653 20 0 EHADRM Cc1ccc(-c2cccc(CNC(=O)N(C)CCCC(=O)[O-])c2)cc1 ZINC000414634546 953405143 /nfs/dbraw/zinc/40/51/43/953405143.db2.gz YCBBFBFWNPEJMC-UHFFFAOYSA-N -1 0 340.423 3.668 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1ccc(Oc2ccccc2)cn1 ZINC000417789917 953421375 /nfs/dbraw/zinc/42/13/75/953421375.db2.gz MUNVRSIQRLUSFR-UHFFFAOYSA-N -1 0 343.383 3.640 20 0 EHADRM CC(C)Cn1cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)c2ccccc21 ZINC000422580843 953424431 /nfs/dbraw/zinc/42/44/31/953424431.db2.gz NBHZCWSEVUHBET-GJZGRUSLSA-N -1 0 342.439 3.623 20 0 EHADRM CN(c1ccccc1NC(=O)NCCC(C)(C)C(=O)[O-])C1CCCC1 ZINC000424379585 953451149 /nfs/dbraw/zinc/45/11/49/953451149.db2.gz IMDBSNUWHJHTCJ-UHFFFAOYSA-N -1 0 347.459 3.688 20 0 EHADRM CC(C)(CCNC(=O)N1CCC[C@@H]1c1ccccc1Cl)C(=O)[O-] ZINC000424396793 953462059 /nfs/dbraw/zinc/46/20/59/953462059.db2.gz IEEFVYHJMSXSJB-CQSZACIVSA-N -1 0 338.835 3.687 20 0 EHADRM C[C@H]1CCCN(Cc2ccc(Sc3ccccn3)o2)[C@H]1C(=O)[O-] ZINC000424424365 953482352 /nfs/dbraw/zinc/48/23/52/953482352.db2.gz WIMDRKVHVOLZOZ-BLLLJJGKSA-N -1 0 332.425 3.511 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000431654246 953503715 /nfs/dbraw/zinc/50/37/15/953503715.db2.gz HKVFUWVKNOJHBJ-GFCCVEGCSA-N -1 0 331.799 3.533 20 0 EHADRM C[C@@H]1CC(C)(C)c2cccc(NC(=O)[C@H]3CO[C@H](CCC(=O)[O-])C3)c21 ZINC001589284284 953543026 /nfs/dbraw/zinc/54/30/26/953543026.db2.gz DLPCKPZMHWAAOS-MGPQQGTHSA-N -1 0 345.439 3.680 20 0 EHADRM Cc1ccccc1-c1nsc(N2CCC[C@@H](CCC(=O)[O-])C2)n1 ZINC000530251213 953559848 /nfs/dbraw/zinc/55/98/48/953559848.db2.gz HAHHOEOMYYUGAN-ZDUSSCGKSA-N -1 0 331.441 3.595 20 0 EHADRM CCc1ccc(C(C)(C)C(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC000553809600 953581868 /nfs/dbraw/zinc/58/18/68/953581868.db2.gz NAXYSCKHJRIZET-UHFFFAOYSA-N -1 0 325.408 3.541 20 0 EHADRM CCc1cc(Cl)cnc1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001593633152 953589933 /nfs/dbraw/zinc/58/99/33/953589933.db2.gz ZIGODYKOSIGJIU-UHFFFAOYSA-N -1 0 333.775 3.569 20 0 EHADRM CC[C@@H](NC(=O)N1CCC[C@H](CC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000563389998 953599572 /nfs/dbraw/zinc/59/95/72/953599572.db2.gz VLHKBTROGWSNQV-IUODEOHRSA-N -1 0 338.835 3.687 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC(=O)NCCCCC(=O)[O-])C1 ZINC001589292931 953618062 /nfs/dbraw/zinc/61/80/62/953618062.db2.gz IRCPIWLBAFOZLQ-UAGQMJEPSA-N -1 0 332.444 3.513 20 0 EHADRM CCc1ccc([C@@H]2CCCN(C(=O)[C@@H](C(=O)[O-])C(C)(C)C)C2)cc1 ZINC001593637398 953618322 /nfs/dbraw/zinc/61/83/22/953618322.db2.gz VUVDISUKIZXLMH-SJORKVTESA-N -1 0 331.456 3.702 20 0 EHADRM CCc1ccc(CC)c(NC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC001593637929 953622457 /nfs/dbraw/zinc/62/24/57/953622457.db2.gz UUILKFVYNJDLLY-SFHVURJKSA-N -1 0 340.423 3.629 20 0 EHADRM CCc1ccc(OC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)c(C(C)(C)C)c1 ZINC001593638726 953630769 /nfs/dbraw/zinc/63/07/69/953630769.db2.gz DSSLKRPIPCXNEB-HUUCEWRRSA-N -1 0 348.439 3.722 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)Nc1cccnc1C(=O)[O-] ZINC001589294362 953632014 /nfs/dbraw/zinc/63/20/14/953632014.db2.gz INALRLXBYVCIEJ-NFAWXSAZSA-N -1 0 339.395 3.578 20 0 EHADRM C[C@@H]1CCN(C(=O)N[C@H](CC2CCC2)c2ccccc2)C[C@H]1C(=O)[O-] ZINC000567807141 953635073 /nfs/dbraw/zinc/63/50/73/953635073.db2.gz YAUHSXSXFJSJAB-ZTFGCOKTSA-N -1 0 344.455 3.670 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCCCCc1ccc(F)cc1 ZINC001589298604 953671187 /nfs/dbraw/zinc/67/11/87/953671187.db2.gz NSXKYSKKOYGVBQ-GDBMZVCRSA-N -1 0 335.419 3.640 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(OCC2CCCCC2)cc1)C(=O)[O-] ZINC000573635501 953674524 /nfs/dbraw/zinc/67/45/24/953674524.db2.gz KELWSYKRADMFMF-MRXNPFEDSA-N -1 0 334.416 3.630 20 0 EHADRM CC[C@H](NC(=O)N1CCC[C@H](CC(=O)[O-])C1)C(C)(C)c1ccccc1 ZINC000575894334 953685777 /nfs/dbraw/zinc/68/57/77/953685777.db2.gz MUXXDANCJAQDDP-WBVHZDCISA-N -1 0 346.471 3.639 20 0 EHADRM CCc1nc([C@H](C)NC(=O)Nc2cccc(CCC(=O)[O-])c2)cs1 ZINC001593649146 953698647 /nfs/dbraw/zinc/69/86/47/953698647.db2.gz VEAMINDTXQHLKM-NSHDSACASA-N -1 0 347.440 3.605 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)N([C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC000580272196 953712296 /nfs/dbraw/zinc/71/22/96/953712296.db2.gz XGUPDDWPAIDALV-ZDUSSCGKSA-N -1 0 334.416 3.581 20 0 EHADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1c(F)cccc1Sc1ccccc1 ZINC001594799390 953725306 /nfs/dbraw/zinc/72/53/06/953725306.db2.gz BDFMMPOIWITRHQ-HAQNSBGRSA-N -1 0 345.395 3.570 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000591653803 953743384 /nfs/dbraw/zinc/74/33/84/953743384.db2.gz VMNUOMDGPDOFFG-NHYWBVRUSA-N -1 0 347.436 3.621 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)c1 ZINC001594802335 953750995 /nfs/dbraw/zinc/75/09/95/953750995.db2.gz SZZJWLVVVXRAEI-MQMHXKEQSA-N -1 0 345.786 3.501 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)N[C@H](c2ccc(F)cc2)C2CCC2)c1 ZINC001594802434 953752580 /nfs/dbraw/zinc/75/25/80/953752580.db2.gz XOHDSHAEUAXMAM-INIZCTEOSA-N -1 0 343.358 3.582 20 0 EHADRM CSCc1ccc(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000593924521 953759888 /nfs/dbraw/zinc/75/98/88/953759888.db2.gz XGYDJTWOVHOQNY-IRXDYDNUSA-N -1 0 341.432 3.593 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000619964217 953790255 /nfs/dbraw/zinc/79/02/55/953790255.db2.gz APVWYUMUCGCCEF-UHFFFAOYSA-N -1 0 331.334 3.555 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cc(C(F)F)ccc2F)CCCCC1 ZINC000621708097 953795849 /nfs/dbraw/zinc/79/58/49/953795849.db2.gz IFYCRDXJCQFHCR-UHFFFAOYSA-N -1 0 329.318 3.671 20 0 EHADRM O=C([O-])c1cccc(NC(=O)NC2(c3cccc(F)c3)CCC2)c1 ZINC001594809252 953800402 /nfs/dbraw/zinc/80/04/02/953800402.db2.gz PLXHZDOHPQXPGW-UHFFFAOYSA-N -1 0 328.343 3.725 20 0 EHADRM CC[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1cc(C)ccc1C ZINC000626778550 953821010 /nfs/dbraw/zinc/82/10/10/953821010.db2.gz QKAGKEUMJVIKQR-UXLLHSPISA-N -1 0 332.444 3.507 20 0 EHADRM C[C@H]1CCC[C@@H]1CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001589318899 953840743 /nfs/dbraw/zinc/84/07/43/953840743.db2.gz CBXMPFBVBSCIOB-DTWKUNHWSA-N -1 0 328.771 3.735 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000630142114 953840785 /nfs/dbraw/zinc/84/07/85/953840785.db2.gz TVYLJUWDWCGGED-HXUWFJFHSA-N -1 0 339.391 3.724 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1nc(-c2cc3ccccc3o2)cs1 ZINC001594818802 953891053 /nfs/dbraw/zinc/89/10/53/953891053.db2.gz UZDPYRIRJHWWSR-WDEREUQCSA-N -1 0 342.376 3.606 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1ccn(-c2ccccc2Cl)n1 ZINC001594822470 953912126 /nfs/dbraw/zinc/91/21/26/953912126.db2.gz VBEVGABKSUWWHL-UHFFFAOYSA-N -1 0 347.783 3.538 20 0 EHADRM CN(C(=O)C1(C(=O)[O-])CCCCCC1)c1nc2ccccc2s1 ZINC001593675970 953925791 /nfs/dbraw/zinc/92/57/91/953925791.db2.gz YLZRKGHAMYFQJF-UHFFFAOYSA-N -1 0 332.425 3.684 20 0 EHADRM CN(C(=O)C1(C(=O)[O-])C(C)(C)C1(C)C)c1ccc(F)c(Cl)c1 ZINC001593676604 953935599 /nfs/dbraw/zinc/93/55/99/953935599.db2.gz RHOSYCGVNNYBQD-UHFFFAOYSA-N -1 0 327.783 3.579 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc3cc(C(C)(C)C)ccc3[nH]2)C[C@@H]1C(=O)[O-] ZINC001589348285 954066278 /nfs/dbraw/zinc/06/62/78/954066278.db2.gz RNWQLYKQBBVWAN-DOMZBBRYSA-N -1 0 342.439 3.648 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000653305263 954117313 /nfs/dbraw/zinc/11/73/13/954117313.db2.gz HDDBUSDJRFNZAI-UHFFFAOYSA-N -1 0 328.368 3.703 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)CCCc2ccc(F)cc2)c2ccccc21 ZINC000655557182 954202951 /nfs/dbraw/zinc/20/29/51/954202951.db2.gz VTVSDEHQPZPQBF-ZWKOTPCHSA-N -1 0 341.382 3.578 20 0 EHADRM O=C([O-])C1(C(=O)N[C@H]2CC[C@H](c3cccc(Cl)c3)C2)CC=CC1 ZINC001594854835 954219115 /nfs/dbraw/zinc/21/91/15/954219115.db2.gz UTPZTRZUJPRGNT-ZFWWWQNUSA-N -1 0 333.815 3.513 20 0 EHADRM C[C@H](CNC(=O)N[C@H](C)c1ccccc1Oc1ccccc1)C(=O)[O-] ZINC000655867487 954254919 /nfs/dbraw/zinc/25/49/19/954254919.db2.gz XAOBOBSBEPETQZ-ZIAGYGMSSA-N -1 0 342.395 3.560 20 0 EHADRM O=C([O-])C1(C(=O)NCC2CCc3ccccc3CC2)CCCCCC1 ZINC001594860039 954270729 /nfs/dbraw/zinc/27/07/29/954270729.db2.gz SLPRHQIHZYPJKC-UHFFFAOYSA-N -1 0 343.467 3.723 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(OCc3ccccc3)c2)o1 ZINC000385493676 972000924 /nfs/dbraw/zinc/00/09/24/972000924.db2.gz IUGZMJBYVMXSCI-UHFFFAOYSA-N -1 0 337.331 3.809 20 0 EHADRM O=C([O-])C1(C(=O)NCCc2c[nH]c3c2cccc3Cl)CCCCC1 ZINC001594862102 954282099 /nfs/dbraw/zinc/28/20/99/954282099.db2.gz JGVGNVRSXBVMTM-UHFFFAOYSA-N -1 0 348.830 3.515 20 0 EHADRM CN(CC1(c2ccccc2)CC1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001593726803 954281961 /nfs/dbraw/zinc/28/19/61/954281961.db2.gz YZLNRBRHJSSLLG-UHFFFAOYSA-N -1 0 338.407 3.509 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(-c3ccc(Cl)cc3)c[nH]2)CC[C@H]1C(=O)[O-] ZINC001589382539 954287234 /nfs/dbraw/zinc/28/72/34/954287234.db2.gz GZWDHTMDSTZOOV-IAQYHMDHSA-N -1 0 346.814 3.518 20 0 EHADRM CCN(Cc1ccccc1C)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655908315 954290730 /nfs/dbraw/zinc/29/07/30/954290730.db2.gz PKFWINBVJJVDPC-BHYGNILZSA-N -1 0 346.471 3.662 20 0 EHADRM COc1cc(C)c(NC(=O)N2CCC(CCC(=O)[O-])CC2)c(C)c1C ZINC000656603407 954303268 /nfs/dbraw/zinc/30/32/68/954303268.db2.gz IZAHVSRPPGEMIL-UHFFFAOYSA-N -1 0 348.443 3.729 20 0 EHADRM O=C([O-])CCCNC(=O)c1cc2cc(C(F)(F)F)ccc2s1 ZINC000659117102 954308483 /nfs/dbraw/zinc/30/84/83/954308483.db2.gz QVZXXCBAZWHMFU-UHFFFAOYSA-N -1 0 331.315 3.515 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000659144033 954310934 /nfs/dbraw/zinc/31/09/34/954310934.db2.gz AGKIJPWSOUKOQH-SQNIBIBYSA-N -1 0 329.440 3.501 20 0 EHADRM CC(C)[C@H](CNC(=O)c1coc(/C=C\C(=O)[O-])c1)c1ccccc1 ZINC001602983137 972003631 /nfs/dbraw/zinc/00/36/31/972003631.db2.gz HYGKGDJGOGJLPV-JJEJIETFSA-N -1 0 327.380 3.547 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2ccc(Cl)c3ccncc23)CC=CCC1 ZINC001594870148 954345194 /nfs/dbraw/zinc/34/51/94/954345194.db2.gz WJWIRXHNDVXYPC-KRWDZBQOSA-N -1 0 330.771 3.638 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2ccc(Nc3ccccc3)cn2)CC=CCC1 ZINC001594870653 954350690 /nfs/dbraw/zinc/35/06/90/954350690.db2.gz UNADUEYYCYJYOQ-LJQANCHMSA-N -1 0 337.379 3.575 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc(OC(F)(F)F)c2)CCCCC1 ZINC001594870978 954355018 /nfs/dbraw/zinc/35/50/18/954355018.db2.gz IGIHZLSVBJZRCR-UHFFFAOYSA-N -1 0 331.290 3.559 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc(NC3CCCC3)c2)CCSCC1 ZINC001594871373 954360875 /nfs/dbraw/zinc/36/08/75/954360875.db2.gz ZQOKKWGALOPYJV-UHFFFAOYSA-N -1 0 348.468 3.578 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2ncc(-c3ccccc3)s2)CC=CCC1 ZINC001594871805 954362011 /nfs/dbraw/zinc/36/20/11/954362011.db2.gz GYLHGSLNEOGAME-QGZVFWFLSA-N -1 0 328.393 3.560 20 0 EHADRM O=C([O-])[C@]1(C(=O)Oc2ccc(-c3cscn3)cc2)CC=CCC1 ZINC001594877696 954391394 /nfs/dbraw/zinc/39/13/94/954391394.db2.gz AQIUTLNFYYQFMC-KRWDZBQOSA-N -1 0 329.377 3.527 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc(OCc3ccccc3)c2)CC=CC1 ZINC001594877770 954392147 /nfs/dbraw/zinc/39/21/47/954392147.db2.gz LXDJWTPVQSOWMI-UHFFFAOYSA-N -1 0 337.375 3.625 20 0 EHADRM C[N@H+](CCOc1ccccc1C(=O)[O-])Cc1ccc(Cl)c(F)c1 ZINC001593754472 954437415 /nfs/dbraw/zinc/43/74/15/954437415.db2.gz GLDBGQZXOHSNGU-UHFFFAOYSA-N -1 0 337.778 3.688 20 0 EHADRM Cc1nc(-c2ccc([C@@H](C)NC(=O)C3(C(=O)[O-])CCC3)cc2)cs1 ZINC000663099864 954485291 /nfs/dbraw/zinc/48/52/91/954485291.db2.gz IUVDTUFSPIYRJX-LLVKDONJSA-N -1 0 344.436 3.551 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)NCc2cccc(C(=O)[O-])c2)c1 ZINC000666566546 954561540 /nfs/dbraw/zinc/56/15/40/954561540.db2.gz RFMASGJTPYJKCS-GOSISDBHSA-N -1 0 338.407 3.740 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000669493646 954575467 /nfs/dbraw/zinc/57/54/67/954575467.db2.gz OYUAHWGOQZNXNO-CYBMUJFWSA-N -1 0 348.443 3.711 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)C(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC001589432815 954659414 /nfs/dbraw/zinc/65/94/14/954659414.db2.gz OEOBNVDMMMPFDJ-CYBMUJFWSA-N -1 0 344.238 3.737 20 0 EHADRM CC(C)[C@H](SCc1ccccc1)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001602993999 972033570 /nfs/dbraw/zinc/03/35/70/972033570.db2.gz UYICKPDWVOMTQY-PVAVHDDUSA-N -1 0 349.496 3.514 20 0 EHADRM CC[C@H](C)[C@H]1CCCCN1C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001589457056 954836240 /nfs/dbraw/zinc/83/62/40/954836240.db2.gz CTWRFXNAGXOULI-VPWXQRGCSA-N -1 0 346.471 3.639 20 0 EHADRM O=C([O-])[C@@H]1CCN(C[C@H]2CCN(c3ccccc3)C2)c2ccccc21 ZINC001594933628 954839338 /nfs/dbraw/zinc/83/93/38/954839338.db2.gz YXUDIDRIXXAHLB-QFBILLFUSA-N -1 0 336.435 3.591 20 0 EHADRM O=C([O-])[C@H]1CCN(Cc2cnc([C@@H]3CCCO3)s2)c2ccccc21 ZINC001594934029 954845259 /nfs/dbraw/zinc/84/52/59/954845259.db2.gz QUCXCTSBHGSPPV-HOCLYGCPSA-N -1 0 344.436 3.573 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C/C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001589463645 954876958 /nfs/dbraw/zinc/87/69/58/954876958.db2.gz GYLSVQHIBOAMGO-MMQHEFTJSA-N -1 0 340.379 3.609 20 0 EHADRM O=C([O-])[C@@H]1CCNc2ccc(-c3ccc(Cn4ccnc4)cc3)cc21 ZINC001594940571 954883095 /nfs/dbraw/zinc/88/30/95/954883095.db2.gz JMFRUFNNJIKZIS-QGZVFWFLSA-N -1 0 333.391 3.582 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)N1CCC[C@@](CC)(C(=O)[O-])C1 ZINC001589464315 954887031 /nfs/dbraw/zinc/88/70/31/954887031.db2.gz FWXAPFFATWDGAS-MGPUTAFESA-N -1 0 347.455 3.682 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCC(C2CCCCC2)CC1)C(=O)[O-] ZINC001603008880 972058846 /nfs/dbraw/zinc/05/88/46/972058846.db2.gz MJLBWSIUXACHAZ-QGZVFWFLSA-N -1 0 338.492 3.735 20 0 EHADRM CCC(CC)(CNC(=O)N1CC[C@@H](c2ccc(C)cc2C)C1)C(=O)[O-] ZINC001589488909 955001319 /nfs/dbraw/zinc/00/13/19/955001319.db2.gz AIKHOCWIYZZXCH-MRXNPFEDSA-N -1 0 346.471 3.693 20 0 EHADRM CCC(CC)(CNC(=O)N(C)[C@@H]1CCC[C@H]1C(C)(C)C)C(=O)[O-] ZINC001589489131 955005118 /nfs/dbraw/zinc/00/51/18/955005118.db2.gz CFMTXGZEJGTNRD-ZIAGYGMSSA-N -1 0 326.481 3.734 20 0 EHADRM CCC(CC)(CNC(=O)NCCc1csc2ccccc12)C(=O)[O-] ZINC001589496341 955016494 /nfs/dbraw/zinc/01/64/94/955016494.db2.gz DHTUIDGLVBSSSX-UHFFFAOYSA-N -1 0 348.468 3.634 20 0 EHADRM CC(C)C[C@H]1CCCCN1C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001603018061 972073953 /nfs/dbraw/zinc/07/39/53/972073953.db2.gz FVZABKPZXHMTHA-XLIONFOSSA-N -1 0 346.471 3.639 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)Nc2ccc(F)cc2Cl)C1 ZINC000386749940 972077782 /nfs/dbraw/zinc/07/77/82/972077782.db2.gz BPDNSRZIYAQEKC-SNVBAGLBSA-N -1 0 328.771 3.588 20 0 EHADRM CC[C@H](CNC(=O)Nc1cccc(C(=O)[O-])c1)Oc1cccc(C)c1 ZINC001589545991 955199596 /nfs/dbraw/zinc/19/95/96/955199596.db2.gz NSTBJPQNMWIZFM-MRXNPFEDSA-N -1 0 342.395 3.672 20 0 EHADRM CC(C)CCC1CCN(C(=O)NC[C@H](CC(C)C)C(=O)[O-])CC1 ZINC001603021746 972082089 /nfs/dbraw/zinc/08/20/89/972082089.db2.gz ZYGLCNKVDCFXHH-INIZCTEOSA-N -1 0 326.481 3.591 20 0 EHADRM O=C([O-])c1ccc(OCc2noc(-c3cccs3)n2)c(Cl)c1 ZINC000386836855 972084078 /nfs/dbraw/zinc/08/40/78/972084078.db2.gz VKAPJMMQOJSLPC-UHFFFAOYSA-N -1 0 336.756 3.729 20 0 EHADRM CCCCCCOc1ccc(C(=O)NCC2(C(=O)[O-])CCC2)cc1 ZINC000767177265 955319345 /nfs/dbraw/zinc/31/93/45/955319345.db2.gz HVORHDZRQUGPEY-UHFFFAOYSA-N -1 0 333.428 3.630 20 0 EHADRM CC[C@@H](C)c1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000769559951 955323079 /nfs/dbraw/zinc/32/30/79/955323079.db2.gz SJYNGLXOBFKNBK-RDTXWAMCSA-N -1 0 325.408 3.626 20 0 EHADRM CC(C)c1ccc(Oc2cc(C(=O)N[C@H](C)CC(=O)[O-])ccn2)cc1 ZINC001589002062 955336261 /nfs/dbraw/zinc/33/62/61/955336261.db2.gz ITRCGHLLXVKBJX-CYBMUJFWSA-N -1 0 342.395 3.590 20 0 EHADRM Cc1oc2ccccc2c1CC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001594506259 955359388 /nfs/dbraw/zinc/35/93/88/955359388.db2.gz MPTXYIKDFYLARP-XFBWCDHKSA-N -1 0 343.423 3.535 20 0 EHADRM CC(C)C[C@H](NC(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1)C(=O)[O-] ZINC001603050317 972115275 /nfs/dbraw/zinc/11/52/75/972115275.db2.gz UJESASGGFFLMSW-INIZCTEOSA-N -1 0 330.428 3.695 20 0 EHADRM Cc1nc(NC(=O)CCCC(=O)[O-])sc1Cc1ccc(C)cc1 ZINC000844244374 955657439 /nfs/dbraw/zinc/65/74/39/955657439.db2.gz QPQPALHAKCDLID-UHFFFAOYSA-N -1 0 332.425 3.544 20 0 EHADRM O=C([O-])CCCC(=O)Nc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000844246518 955660976 /nfs/dbraw/zinc/66/09/76/955660976.db2.gz IMMXLBGGGJIIOQ-CYBMUJFWSA-N -1 0 344.436 3.609 20 0 EHADRM CC(C)(NC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)C1CCCCC1 ZINC001589050869 955662466 /nfs/dbraw/zinc/66/24/66/955662466.db2.gz TYYQNALCMITQAW-FQEVSTJZSA-N -1 0 346.471 3.687 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F ZINC000846715522 955724291 /nfs/dbraw/zinc/72/42/91/955724291.db2.gz PNIQDPGEWWUIFY-OBIHZWKSSA-N -1 0 349.736 3.607 20 0 EHADRM CC(F)(F)CCCNC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001589081467 955857156 /nfs/dbraw/zinc/85/71/56/955857156.db2.gz NDJKILUGIGNYED-UHFFFAOYSA-N -1 0 338.713 3.734 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)CCc1cccc2ccccc21 ZINC000864133744 955957787 /nfs/dbraw/zinc/95/77/87/955957787.db2.gz ZAYGHMNXENMORX-QGZVFWFLSA-N -1 0 325.408 3.628 20 0 EHADRM C[C@](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)(C(=O)[O-])c1ccccc1 ZINC001589114318 956079514 /nfs/dbraw/zinc/07/95/14/956079514.db2.gz JWXCKMXWKLRQSK-FRQCXROJSA-N -1 0 343.810 3.560 20 0 EHADRM CCN(C(=O)NCc1ccccc1C(=O)[O-])[C@H](C)Cc1ccsc1 ZINC000874411734 956189467 /nfs/dbraw/zinc/18/94/67/956189467.db2.gz IANUESROBKAWDF-CYBMUJFWSA-N -1 0 346.452 3.609 20 0 EHADRM CCC(CC)(NC(=O)CCCSc1ccc(Cl)cc1)C(=O)[O-] ZINC000388420674 972169564 /nfs/dbraw/zinc/16/95/64/972169564.db2.gz YMJQWUSLAGIHKD-UHFFFAOYSA-N -1 0 343.876 3.972 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000899311969 956282846 /nfs/dbraw/zinc/28/28/46/956282846.db2.gz UWUSKNGBNKKKIN-XJKSGUPXSA-N -1 0 334.416 3.645 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2cc(C(F)(F)F)ccc2Cl)C1 ZINC000901454863 956315534 /nfs/dbraw/zinc/31/55/34/956315534.db2.gz YDOGLWGVNRZVFK-VIFPVBQESA-N -1 0 349.736 3.686 20 0 EHADRM C[C@H](Oc1cccc2ccccc21)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001589167201 956428579 /nfs/dbraw/zinc/42/85/79/956428579.db2.gz INZZMBHUIQZODR-AWEZNQCLSA-N -1 0 349.386 3.622 20 0 EHADRM C[C@H](SCC(=O)[O-])C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC001589169885 956466805 /nfs/dbraw/zinc/46/68/05/956466805.db2.gz QDXKUWNZDAVXAF-LURJTMIESA-N -1 0 341.738 3.504 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CCC(Cc2ccccc2)CC1 ZINC001589200747 956632604 /nfs/dbraw/zinc/63/26/04/956632604.db2.gz ADFKPLDFRIXOSI-UHFFFAOYSA-N -1 0 343.467 3.605 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CCC[C@](F)(c2ccccc2)C1 ZINC001589201464 956637091 /nfs/dbraw/zinc/63/70/91/956637091.db2.gz RYJPXABNWCUKKE-LJQANCHMSA-N -1 0 347.430 3.611 20 0 EHADRM O=C(/C=C\c1ccc(C(=O)[O-])o1)Oc1ccc(-c2cscn2)cc1 ZINC001594675050 956651574 /nfs/dbraw/zinc/65/15/74/956651574.db2.gz VUSLPHCPAXLCPD-VURMDHGXSA-N -1 0 341.344 3.720 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1Cc2ccccc2C2(CCC2)C1 ZINC001589204698 956656059 /nfs/dbraw/zinc/65/60/59/956656059.db2.gz MIVGXMNVEBKQDJ-UHFFFAOYSA-N -1 0 341.451 3.588 20 0 EHADRM C[C@@H](CC(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21)n1cccc1 ZINC001603120037 972202634 /nfs/dbraw/zinc/20/26/34/972202634.db2.gz AKQNXMWZNLBBPE-HOTGVXAUSA-N -1 0 340.423 3.510 20 0 EHADRM CC(C)c1cc(Cl)ccc1NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC000902177052 956677321 /nfs/dbraw/zinc/67/73/21/956677321.db2.gz HXNIIDNAFRBREY-YPMHNXCESA-N -1 0 339.819 3.672 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC001589212838 956708145 /nfs/dbraw/zinc/70/81/45/956708145.db2.gz MWOHDOUTJRFBKE-PGRDOPGGSA-N -1 0 349.430 3.662 20 0 EHADRM CC[C@H](CC(=O)NCc1ccccc1C(=O)[O-])c1ccc(OC)cc1 ZINC000902367908 956711063 /nfs/dbraw/zinc/71/10/63/956711063.db2.gz NIQDNRRKJBIYFL-CQSZACIVSA-N -1 0 341.407 3.594 20 0 EHADRM C[C@](CNC(=O)NC1(C)CCC(C)(C)CC1)(C(=O)[O-])c1ccccc1 ZINC001589221307 956778572 /nfs/dbraw/zinc/77/85/72/956778572.db2.gz WXIYMOUFFYCJAB-HXUWFJFHSA-N -1 0 346.471 3.687 20 0 EHADRM O=C(CSc1cccc2cccc(Cl)c21)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594702989 956823717 /nfs/dbraw/zinc/82/37/17/956823717.db2.gz VUWYKZGDZSKTJF-HAQNSBGRSA-N -1 0 349.839 3.565 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)N(Cc2cccc(F)c2)C2CCC2)co1 ZINC000902842051 956824820 /nfs/dbraw/zinc/82/48/20/956824820.db2.gz VBFGSLHTKPTPLY-BQYQJAHWSA-N -1 0 343.354 3.711 20 0 EHADRM CC[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)C(=O)[O-] ZINC000008732236 956887392 /nfs/dbraw/zinc/88/73/92/956887392.db2.gz SQQIJVTXEBMFQX-CYBMUJFWSA-N -1 0 333.457 3.735 20 0 EHADRM C[C@H]1CCCC[C@H]1NC(=O)COc1c(C(=O)[O-])ccc2ccccc21 ZINC000013086240 956938922 /nfs/dbraw/zinc/93/89/22/956938922.db2.gz IJBZGSWKDBQLHY-SUMWQHHRSA-N -1 0 341.407 3.612 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)CSCc1cccs1 ZINC000013188236 956973965 /nfs/dbraw/zinc/97/39/65/956973965.db2.gz VJSNLFDHZHEYTK-UHFFFAOYSA-N -1 0 341.841 3.972 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2cc3occc3s2)c2ccccc21 ZINC001594726148 957004188 /nfs/dbraw/zinc/00/41/88/957004188.db2.gz IOTMHZOCYQMLQC-VXGBXAGGSA-N -1 0 327.361 3.537 20 0 EHADRM CC[C@H](C)c1ccc(OS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000013307809 957013774 /nfs/dbraw/zinc/01/37/74/957013774.db2.gz RHDDIVGCUUVECW-JTQLQIEISA-N -1 0 340.422 3.728 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)c2ccc(F)cc2Cl)c2ccccc21 ZINC001594727768 957020414 /nfs/dbraw/zinc/02/04/14/957020414.db2.gz UXMCFEVAKHOLNB-ZFWWWQNUSA-N -1 0 333.746 3.522 20 0 EHADRM O=C([O-])c1cccc(NC(=O)COc2cccc(Cl)c2Cl)c1 ZINC000013318261 957023934 /nfs/dbraw/zinc/02/39/34/957023934.db2.gz NMZQGJLUEFEWBY-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM CC(C)C[C@H](CNC(=O)C[C@H](c1ccc(O)cc1)C1CC1)CC(=O)[O-] ZINC000909875815 957037772 /nfs/dbraw/zinc/03/77/72/957037772.db2.gz RNAAPLSLRYDMHL-KSSFIOAISA-N -1 0 347.455 3.529 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)c1ccccc1OC(F)F ZINC000013390157 957044051 /nfs/dbraw/zinc/04/40/51/957044051.db2.gz LPNCXNRCMJWICR-UHFFFAOYSA-N -1 0 347.317 3.579 20 0 EHADRM Cc1ccc(C)c(SCC(=O)Nc2ccc(CC(=O)[O-])cc2)c1 ZINC000013440046 957077635 /nfs/dbraw/zinc/07/76/35/957077635.db2.gz GWUAKCPTSSHPAH-UHFFFAOYSA-N -1 0 329.421 3.661 20 0 EHADRM Cc1nc(Cl)c(Cl)cc1C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000389687995 972240999 /nfs/dbraw/zinc/24/09/99/972240999.db2.gz IYOISTJMCZYCEO-UHFFFAOYSA-N -1 0 343.141 3.786 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)/C=C/c1cc(Cl)cc(Cl)c1 ZINC000389710400 972242530 /nfs/dbraw/zinc/24/25/30/972242530.db2.gz HYDHYCTWGRIYDN-RXUHEVMZSA-N -1 0 342.222 3.718 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)C1CC1 ZINC001121810604 957208639 /nfs/dbraw/zinc/20/86/39/957208639.db2.gz LHZUOSJZFLPZSH-KXBFYZLASA-N -1 0 344.455 3.733 20 0 EHADRM C[C@H](c1ccccc1)N(C)C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001121843430 957220643 /nfs/dbraw/zinc/22/06/43/957220643.db2.gz JIMLWHGBFULLOL-JEBQAFNWSA-N -1 0 338.407 3.702 20 0 EHADRM Cc1ccc(NC(=O)C2(C(=O)[O-])CCCCC2)cc1OC(F)F ZINC001180436242 957246771 /nfs/dbraw/zinc/24/67/71/957246771.db2.gz ALRXBSKJQPUSGU-UHFFFAOYSA-N -1 0 327.327 3.570 20 0 EHADRM Cc1nc(Cl)c(Cl)cc1C(=O)Nc1c(F)cccc1C(=O)[O-] ZINC000389853111 972252208 /nfs/dbraw/zinc/25/22/08/972252208.db2.gz VIJFSKRCVCQEEL-UHFFFAOYSA-N -1 0 343.141 3.786 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CSCc2ccc(Cl)s2)cc1 ZINC000037430589 957284472 /nfs/dbraw/zinc/28/44/72/957284472.db2.gz OYTRRBOCKFNCHA-UHFFFAOYSA-N -1 0 341.841 3.972 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)/C=C/c1cc(Cl)cc(Cl)c1 ZINC000037585161 957309297 /nfs/dbraw/zinc/30/92/97/957309297.db2.gz VHBBBXKVMLUFDU-ONEGZZNKSA-N -1 0 330.211 3.718 20 0 EHADRM Cc1ccc(CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)cc1C ZINC000390111700 972265583 /nfs/dbraw/zinc/26/55/83/972265583.db2.gz UJUYGJMMKIXPCD-UHFFFAOYSA-N -1 0 329.421 3.733 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)c1ccc(Br)c(F)c1 ZINC000043575985 957435826 /nfs/dbraw/zinc/43/58/26/957435826.db2.gz LYPJPHZUMLDDAQ-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM CC(C)(C)CC(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC000054232279 957524511 /nfs/dbraw/zinc/52/45/11/957524511.db2.gz OMNOEJCZTJYPRU-UHFFFAOYSA-N -1 0 332.425 3.812 20 0 EHADRM C[C@@H](Oc1ccccc1F)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000390288276 972273501 /nfs/dbraw/zinc/27/35/01/972273501.db2.gz GMFFGTIEJDSIFM-SECBINFHSA-N -1 0 337.734 3.583 20 0 EHADRM COc1cc(/C=C(/C#N)C(=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000058601525 957558635 /nfs/dbraw/zinc/55/86/35/957558635.db2.gz FKJRGSVQSVSAOF-ZSOIEALJSA-N -1 0 343.766 3.919 20 0 EHADRM C[C@](CNC(=O)NCC1CCCCCCC1)(C(=O)[O-])c1ccccc1 ZINC001603176676 972279219 /nfs/dbraw/zinc/27/92/19/972279219.db2.gz OALWLPUWODSDPR-HXUWFJFHSA-N -1 0 346.471 3.689 20 0 EHADRM O=C([O-])c1cc(Br)ccc1OC(=O)C1CCCCC1 ZINC000066145385 957643739 /nfs/dbraw/zinc/64/37/39/957643739.db2.gz JUYOZBCWBKIQFK-UHFFFAOYSA-N -1 0 327.174 3.633 20 0 EHADRM Cc1cc(C(=O)CSCC(=O)[O-])c(C)n1[C@@H](C)c1ccccc1 ZINC001594274496 957709450 /nfs/dbraw/zinc/70/94/50/957709450.db2.gz QOYKYVQASGIGRJ-ZDUSSCGKSA-N -1 0 331.437 3.715 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCc3cccc(Cl)c3C2)c1 ZINC001594283909 957762290 /nfs/dbraw/zinc/76/22/90/957762290.db2.gz HRMLWOVBWJQOOB-UHFFFAOYSA-N -1 0 329.783 3.545 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NCc2ccc(C(F)(F)F)cc2)c1 ZINC001594286849 957786761 /nfs/dbraw/zinc/78/67/61/957786761.db2.gz YCJXMNXTNKHDJQ-UHFFFAOYSA-N -1 0 337.297 3.642 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)ccn1 ZINC001574790408 957805034 /nfs/dbraw/zinc/80/50/34/957805034.db2.gz RYPIFURHTHAVTI-SJORKVTESA-N -1 0 332.359 3.675 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCc2ccnc(Oc3ccccc3)c2)cc1 ZINC001574796585 957824798 /nfs/dbraw/zinc/82/47/98/957824798.db2.gz RCMGGBFKSPSVFH-UHFFFAOYSA-N -1 0 348.358 3.502 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N2CC[C@H]2c2ccc(Cl)cc2)o1 ZINC001574799092 957828753 /nfs/dbraw/zinc/82/87/53/957828753.db2.gz AYYCICLWPSWHHP-OWNNVSBGSA-N -1 0 331.755 3.618 20 0 EHADRM CON(C(=O)c1sc2cccc(Cl)c2c1Cl)[C@@H](C)C(=O)[O-] ZINC001594040017 957857372 /nfs/dbraw/zinc/85/73/72/957857372.db2.gz IQZCTJVZATWVDX-LURJTMIESA-N -1 0 348.207 3.685 20 0 EHADRM Cc1cc(C)cc(C[C@@H](C)NC(=O)c2cc(C)cc(C(=O)[O-])c2)c1 ZINC001594294670 957865963 /nfs/dbraw/zinc/86/59/63/957865963.db2.gz BPYWQSFLIHDUJV-OAHLLOKOSA-N -1 0 325.408 3.671 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)N(CC2CC2)CC2CCC2)c2ccccc21 ZINC001340586593 957943958 /nfs/dbraw/zinc/94/39/58/957943958.db2.gz YCNXDNYMQSLREH-ROUUACIJSA-N -1 0 342.439 3.521 20 0 EHADRM COc1cc([C@H](C)NC(=O)C2(CC(=O)[O-])CCC2)cc2ccccc21 ZINC001594053281 958006195 /nfs/dbraw/zinc/00/61/95/958006195.db2.gz VYXYQGWHLZHVAB-ZDUSSCGKSA-N -1 0 341.407 3.671 20 0 EHADRM CC[C@H](CNC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)[O-] ZINC000087483422 958013748 /nfs/dbraw/zinc/01/37/48/958013748.db2.gz UQPQWVSSRCKAEJ-SSDOTTSWSA-N -1 0 329.780 3.534 20 0 EHADRM COc1cc(Cl)c(Cl)cc1NC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001594058789 958069467 /nfs/dbraw/zinc/06/94/67/958069467.db2.gz HIZWVKHCQWFRIY-NSHDSACASA-N -1 0 349.214 3.623 20 0 EHADRM O=C([O-])c1csc(CSc2cccc(Br)c2)n1 ZINC000090247945 958095588 /nfs/dbraw/zinc/09/55/88/958095588.db2.gz HKJPPRRVWHZJRP-UHFFFAOYSA-N -1 0 330.228 3.896 20 0 EHADRM Cc1cc(NC(=O)N2Cc3ccccc3OC[C@H]2C)ccc1C(=O)[O-] ZINC001594319881 958117569 /nfs/dbraw/zinc/11/75/69/958117569.db2.gz SLCSPKXYDGGQEA-CYBMUJFWSA-N -1 0 340.379 3.508 20 0 EHADRM Cc1cc(NC(=O)c2c(Cl)cncc2Cl)ccc1C(=O)[O-] ZINC001594324637 958148344 /nfs/dbraw/zinc/14/83/44/958148344.db2.gz KMCFRNDLETXROQ-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM Cc1cc(NC(=O)c2ccc(O[C@H]3CC3(F)F)cc2)ccc1C(=O)[O-] ZINC001594325588 958167194 /nfs/dbraw/zinc/16/71/94/958167194.db2.gz PSBXGMUOVYVIOT-HNNXBMFYSA-N -1 0 347.317 3.732 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)ccc1F ZINC001594330915 958215916 /nfs/dbraw/zinc/21/59/16/958215916.db2.gz WJJOBLYVTVJRIP-KGLIPLIRSA-N -1 0 338.423 3.631 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC001594331271 958224187 /nfs/dbraw/zinc/22/41/87/958224187.db2.gz VVAZCIAGBQXTGM-KUHUBIRLSA-N -1 0 331.412 3.529 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)cc1Cl ZINC000391355280 972330485 /nfs/dbraw/zinc/33/04/85/972330485.db2.gz ADRDMIUPPJXGFR-CQSZACIVSA-N -1 0 329.783 3.867 20 0 EHADRM O=C([O-])c1ccccc1CCNC(=O)c1csc2ccccc12 ZINC000391345512 972330517 /nfs/dbraw/zinc/33/05/17/972330517.db2.gz HKWUBNBLEQBIRN-UHFFFAOYSA-N -1 0 325.389 3.572 20 0 EHADRM COc1ccc(C(C)(C)NC(=O)Nc2ccccc2C(=O)[O-])cc1F ZINC001594081383 958270837 /nfs/dbraw/zinc/27/08/37/958270837.db2.gz JBBOUOYNVHWIFQ-UHFFFAOYSA-N -1 0 346.358 3.589 20 0 EHADRM Cc1ccc(C(C)C)c(OCCC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC001594350206 958344002 /nfs/dbraw/zinc/34/40/02/958344002.db2.gz WJTIROXHQPOXGQ-HOTGVXAUSA-N -1 0 347.455 3.599 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC001594350149 958344070 /nfs/dbraw/zinc/34/40/70/958344070.db2.gz TVTNLXJNYMRGPP-DOTOQJQBSA-N -1 0 347.455 3.742 20 0 EHADRM Cc1ccc([C@@H]2CCN(C(=O)C3(C(=O)[O-])CCCCCC3)C2)cc1 ZINC001594354629 958402930 /nfs/dbraw/zinc/40/29/30/958402930.db2.gz VNMVQUZNOGEQHZ-QGZVFWFLSA-N -1 0 329.440 3.736 20 0 EHADRM Cc1ccc(CN(C(=O)Nc2cccnc2C(=O)[O-])C(C)C)s1 ZINC001594358881 958432675 /nfs/dbraw/zinc/43/26/75/958432675.db2.gz IKXLBNWZEZNSIX-UHFFFAOYSA-N -1 0 333.413 3.592 20 0 EHADRM O=C([O-])c1cccc(OCCSc2nnc(-c3ccccc3)o2)c1 ZINC000113682724 958448359 /nfs/dbraw/zinc/44/83/59/958448359.db2.gz SFOGUNKOIXLFOP-UHFFFAOYSA-N -1 0 342.376 3.606 20 0 EHADRM Cc1cc(COc2c(F)cc(F)cc2Br)oc1C(=O)[O-] ZINC000126262612 958584374 /nfs/dbraw/zinc/58/43/74/958584374.db2.gz HSXKGKMKFPJRIE-UHFFFAOYSA-N -1 0 347.111 3.906 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N3CC[C@H](C(=O)[O-])c4ccccc43)cc2c1 ZINC001594381033 958619914 /nfs/dbraw/zinc/61/99/14/958619914.db2.gz CFSLMJGIDTYIFI-HNNXBMFYSA-N -1 0 334.375 3.695 20 0 EHADRM COc1cccc(C2(NC(=O)c3cc(C)cc(C(=O)[O-])c3)CCC2)c1 ZINC001594124879 958629868 /nfs/dbraw/zinc/62/98/68/958629868.db2.gz GQGXONIPCQRJLJ-UHFFFAOYSA-N -1 0 339.391 3.511 20 0 EHADRM Cc1ccc2c(c1)[C@H](NC(=O)NCc1ccccc1C(=O)[O-])CCC2 ZINC001594382004 958639803 /nfs/dbraw/zinc/63/98/03/958639803.db2.gz LWVOQSZYHFNXJA-GOSISDBHSA-N -1 0 338.407 3.570 20 0 EHADRM Cc1ccc2nc(C3CC3)cc(C(=O)NC[C@H](C(=O)[O-])C(C)C)c2c1 ZINC001594382865 958648737 /nfs/dbraw/zinc/64/87/37/958648737.db2.gz KXGXXLMOFLHZGF-INIZCTEOSA-N -1 0 340.423 3.507 20 0 EHADRM CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001573391724 958705861 /nfs/dbraw/zinc/70/58/61/958705861.db2.gz XEFFGOZWYSMHME-DOTOQJQBSA-N -1 0 347.455 3.732 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)c1cc(C2CC2)cnc1Cl)C(=O)[O-] ZINC001573395945 958717480 /nfs/dbraw/zinc/71/74/80/958717480.db2.gz QZEFNWQXGKCFHI-ZDUSSCGKSA-N -1 0 338.835 3.622 20 0 EHADRM Cc1cccc(C)c1CN(CC(C)C)C(=O)c1ccc(C(=O)[O-])nc1 ZINC001594400877 958856700 /nfs/dbraw/zinc/85/67/00/958856700.db2.gz WXLWWDKLGUXDGU-UHFFFAOYSA-N -1 0 340.423 3.695 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1cccs1 ZINC000135288850 958886663 /nfs/dbraw/zinc/88/66/63/958886663.db2.gz LUFAGXKGZNBKEC-LLVKDONJSA-N -1 0 330.192 3.611 20 0 EHADRM CC(C)(C)OC(=O)c1ccc(CN[C@H](C(=O)[O-])c2ccccc2)s1 ZINC001573454817 958889455 /nfs/dbraw/zinc/88/94/55/958889455.db2.gz MFMNINJUPTTWJG-HNNXBMFYSA-N -1 0 347.436 3.619 20 0 EHADRM CC(C)(C)O[C@H](C(=O)Nc1ccc(O)c(C(=O)[O-])c1)c1ccccc1 ZINC001573458067 958912725 /nfs/dbraw/zinc/91/27/25/958912725.db2.gz RGBUOCKVVYMSIA-INIZCTEOSA-N -1 0 343.379 3.585 20 0 EHADRM CC(C)(C)c1cc(C(=O)NCc2ccccc2C(=O)[O-])cc(Cl)n1 ZINC001573462657 958920129 /nfs/dbraw/zinc/92/01/29/958920129.db2.gz JGJVBIMSCIBYMY-UHFFFAOYSA-N -1 0 346.814 3.661 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)ccc1Br ZINC000137437790 958925173 /nfs/dbraw/zinc/92/51/73/958925173.db2.gz NVNGHUVAQUFYDF-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM C[C@H](C(=O)N1CCCC[C@H]1CCC(=O)[O-])c1cn(C)c2ccccc12 ZINC001588551086 959018581 /nfs/dbraw/zinc/01/85/81/959018581.db2.gz QIDPYNYRZGZTRR-GJZGRUSLSA-N -1 0 342.439 3.528 20 0 EHADRM C[C@H]([C@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)C(C)(C)C ZINC001588551069 959019595 /nfs/dbraw/zinc/01/95/95/959019595.db2.gz PNNUQWWLKKZBLO-HDEZJCGLSA-N -1 0 331.456 3.632 20 0 EHADRM C[C@@H](NC(=O)C1(C(=O)[O-])CC1)c1ccc(Oc2ccccc2)cc1 ZINC000154847135 959039228 /nfs/dbraw/zinc/03/92/28/959039228.db2.gz IESMDXCBSDLVOY-CYBMUJFWSA-N -1 0 325.364 3.521 20 0 EHADRM Cc1ccccc1Sc1ccc(C(=O)N(C)CCC(=O)[O-])cc1 ZINC001594418869 959041933 /nfs/dbraw/zinc/04/19/33/959041933.db2.gz NWKUPOOSOUBBEG-UHFFFAOYSA-N -1 0 329.421 3.693 20 0 EHADRM CC(C)C[C@@H](C(=O)N[C@@H](C(=O)[O-])C(C)C)c1ccc(Cl)cc1 ZINC001573502027 959069935 /nfs/dbraw/zinc/06/99/35/959069935.db2.gz LFYCFKQLBJKQER-HUUCEWRRSA-N -1 0 325.836 3.695 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)N(Cc1ccccc1Cl)c1ccc(F)cc1 ZINC001588565036 959130524 /nfs/dbraw/zinc/13/05/24/959130524.db2.gz OCTCYHOUYUTBNS-LLVKDONJSA-N -1 0 335.762 3.733 20 0 EHADRM CC(C)C[C@H](NC(=O)CC1(CSc2ccccc2)CC1)C(=O)[O-] ZINC001573536983 959176700 /nfs/dbraw/zinc/17/67/00/959176700.db2.gz KIYQKIJTGKNMSC-HNNXBMFYSA-N -1 0 335.469 3.565 20 0 EHADRM CCC(CC)N(CC(C)C)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000392108033 972408853 /nfs/dbraw/zinc/40/88/53/972408853.db2.gz YYXLUNXMOMCSQC-UHFFFAOYSA-N -1 0 334.460 3.784 20 0 EHADRM CC(C)Cn1ccc2c1cccc2C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001573544084 959198754 /nfs/dbraw/zinc/19/87/54/959198754.db2.gz RINAJAFWXZHWND-UHFFFAOYSA-N -1 0 337.379 3.643 20 0 EHADRM CC(C)Oc1ccc(CCNC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC001573554737 959246037 /nfs/dbraw/zinc/24/60/37/959246037.db2.gz AEFOCXAMGOKQRI-UHFFFAOYSA-N -1 0 342.395 3.536 20 0 EHADRM C[C@@H](NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC001594202161 959256700 /nfs/dbraw/zinc/25/67/00/959256700.db2.gz YMTZOIRVFQWMAJ-KKZNHRDASA-N -1 0 345.226 3.607 20 0 EHADRM CC(C)c1ccc(C2(C(=O)Nc3cc(C(=O)[O-])n[nH]3)CCCC2)cc1 ZINC001573567330 959294234 /nfs/dbraw/zinc/29/42/34/959294234.db2.gz TVZFEVFSVYBBQK-UHFFFAOYSA-N -1 0 341.411 3.682 20 0 EHADRM Cc1nc(-c2cccnc2)nc(NC[C@H](CC(=O)[O-])CC(C)C)c1C ZINC001594445724 959326543 /nfs/dbraw/zinc/32/65/43/959326543.db2.gz BFOAONJSYVDFQY-HNNXBMFYSA-N -1 0 342.443 3.704 20 0 EHADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC001594227341 959434662 /nfs/dbraw/zinc/43/46/62/959434662.db2.gz DOMJURJRZHUPFY-QGHHPUGFSA-N -1 0 337.803 3.711 20 0 EHADRM CN(Cc1cccc2ccccc21)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000179966378 959435836 /nfs/dbraw/zinc/43/58/36/959435836.db2.gz PPXROZJDOANAQV-HZPDHXFCSA-N -1 0 325.408 3.689 20 0 EHADRM C[C@@](CNC(=O)c1ccc(-c2ccccc2)o1)(C(=O)[O-])c1ccccc1 ZINC001573600394 959436106 /nfs/dbraw/zinc/43/61/06/959436106.db2.gz PMOKKBWJUWOIRZ-NRFANRHFSA-N -1 0 349.386 3.719 20 0 EHADRM C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC001573607555 959456941 /nfs/dbraw/zinc/45/69/41/959456941.db2.gz BZPCICHTAVURFV-JTQLQIEISA-N -1 0 349.383 3.596 20 0 EHADRM C[C@H](NC(=O)/C(=C\c1cccc(Cl)c1)c1cccs1)C(=O)[O-] ZINC001594233254 959489027 /nfs/dbraw/zinc/48/90/27/959489027.db2.gz SGECIYIBXRJFDD-AVMBBCFPSA-N -1 0 335.812 3.531 20 0 EHADRM C[C@H](NC(=O)/C(=C/c1cccc(Cl)c1)c1cccs1)C(=O)[O-] ZINC001594233255 959489160 /nfs/dbraw/zinc/48/91/60/959489160.db2.gz SGECIYIBXRJFDD-YWEFTTLKSA-N -1 0 335.812 3.531 20 0 EHADRM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])cn1 ZINC000190626299 959516686 /nfs/dbraw/zinc/51/66/86/959516686.db2.gz PGVPCEMTNKRSAA-AEFFLSMTSA-N -1 0 338.407 3.578 20 0 EHADRM CC(C)C[C@H](NC(=O)c1cc(-c2ccccn2)ccc1Cl)C(=O)[O-] ZINC000190681212 959517888 /nfs/dbraw/zinc/51/78/88/959517888.db2.gz DWHBJPIJCLUKDY-INIZCTEOSA-N -1 0 346.814 3.631 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000392267948 972436031 /nfs/dbraw/zinc/43/60/31/972436031.db2.gz QELDTJYYDFEVGR-UHFFFAOYSA-N -1 0 349.333 3.769 20 0 EHADRM C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)CC(C)(C)CC(=O)[O-] ZINC000191129435 959541971 /nfs/dbraw/zinc/54/19/71/959541971.db2.gz LXZJWKUEAVCUMO-LLVKDONJSA-N -1 0 345.361 3.644 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)c2cccc(-c3ccoc3)c2)c1 ZINC000191174862 959543169 /nfs/dbraw/zinc/54/31/69/959543169.db2.gz LPACSHILOMSZBA-UHFFFAOYSA-N -1 0 335.359 3.617 20 0 EHADRM Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000191448069 959570163 /nfs/dbraw/zinc/57/01/63/959570163.db2.gz LPAOGNSHQKLAQC-VXGBXAGGSA-N -1 0 344.411 3.687 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])o1)C1c2ccccc2-c2ccccc21 ZINC000191619416 959585802 /nfs/dbraw/zinc/58/58/02/959585802.db2.gz DCHZCULITNHFHW-UHFFFAOYSA-N -1 0 333.343 3.820 20 0 EHADRM C[C@H](NC(=O)c1cc(C(=O)[O-])co1)c1ccc(-c2cccnc2)cc1 ZINC000191646508 959587740 /nfs/dbraw/zinc/58/77/40/959587740.db2.gz KBCHRKNTZWWRBB-LBPRGKRZSA-N -1 0 336.347 3.531 20 0 EHADRM Cc1ncsc1/C=C/C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001594475264 959588664 /nfs/dbraw/zinc/58/86/64/959588664.db2.gz ZMXPZBUHJRGZMZ-SNAWJCMRSA-N -1 0 340.763 3.594 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)c1ccccc1 ZINC000192860017 959592650 /nfs/dbraw/zinc/59/26/50/959592650.db2.gz DNYMJFGNDCHJGH-ZDUSSCGKSA-N -1 0 327.380 3.914 20 0 EHADRM CC[C@H](CC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccc(OC)cc1 ZINC000192913515 959596266 /nfs/dbraw/zinc/59/62/66/959596266.db2.gz VSVRUTPPGIESFF-HZPDHXFCSA-N -1 0 347.455 3.682 20 0 EHADRM CCc1cc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)oc1CC ZINC000192919093 959597117 /nfs/dbraw/zinc/59/71/17/959597117.db2.gz JOWLQHRTHRWBLL-LBPRGKRZSA-N -1 0 329.396 3.920 20 0 EHADRM C=C[C@H](CC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000193068804 959611205 /nfs/dbraw/zinc/61/12/05/959611205.db2.gz AMSMFWOWRGSETA-IIBYNOLFSA-N -1 0 337.419 3.505 20 0 EHADRM Cc1c(F)c(C(F)(F)F)ccc1-c1nc(C2(C(=O)[O-])CCC2)no1 ZINC001594253688 959636618 /nfs/dbraw/zinc/63/66/18/959636618.db2.gz HVGUJPZALPLQIF-UHFFFAOYSA-N -1 0 344.264 3.709 20 0 EHADRM CC(C)(C)C1=CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)CC1 ZINC001588639407 959675987 /nfs/dbraw/zinc/67/59/87/959675987.db2.gz OFKOVUOALMQVLG-SJORKVTESA-N -1 0 342.439 3.687 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001594259621 959683688 /nfs/dbraw/zinc/68/36/88/959683688.db2.gz RSWUXWYHRVETIA-LLVKDONJSA-N -1 0 339.351 3.717 20 0 EHADRM CC(C)(C)[C@@H]1CCc2sc(C(=O)Nc3c[nH]nc3C(=O)[O-])cc2C1 ZINC001588644019 959721062 /nfs/dbraw/zinc/72/10/62/959721062.db2.gz XGEZOBYAQOGIDY-SNVBAGLBSA-N -1 0 347.440 3.573 20 0 EHADRM CC1(C)CN(C(=O)NCc2cccc(C(=O)[O-])c2)[C@@H]1c1ccccc1 ZINC001573676429 959729016 /nfs/dbraw/zinc/72/90/16/959729016.db2.gz XXYQWVFCGOXCMD-QGZVFWFLSA-N -1 0 338.407 3.678 20 0 EHADRM O=C([O-])c1cc(NC(=O)/C=C\c2ccc(Cl)s2)ccc1F ZINC000214765476 959738249 /nfs/dbraw/zinc/73/82/49/959738249.db2.gz FJRBKTFJXUYWDA-UTCJRWHESA-N -1 0 325.748 3.891 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)[C@H]1C[C@@]12CCCc1ccccc12)C(=O)[O-] ZINC001588646661 959740748 /nfs/dbraw/zinc/74/07/48/959740748.db2.gz YBAJLBIGDVAVNG-LLGFUMIMSA-N -1 0 343.467 3.676 20 0 EHADRM Cc1c(F)c(F)ccc1NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001594266582 959743442 /nfs/dbraw/zinc/74/34/42/959743442.db2.gz LRTWBTVATBQXDO-LBPRGKRZSA-N -1 0 328.359 3.674 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)c1cc(Cl)nc(C2CC2)c1)C(=O)[O-] ZINC001588648809 959750098 /nfs/dbraw/zinc/75/00/98/959750098.db2.gz RJVCHAMPKYAMAA-GFCCVEGCSA-N -1 0 338.835 3.622 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)/C=C\c1cc(Cl)cc(Cl)c1 ZINC000215324812 959750857 /nfs/dbraw/zinc/75/08/57/959750857.db2.gz VHBBBXKVMLUFDU-ARJAWSKDSA-N -1 0 330.211 3.718 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCC(C)(c2cccc(Cl)c2)CC1 ZINC001573689003 959752602 /nfs/dbraw/zinc/75/26/02/959752602.db2.gz AYRYERLGIZTIEN-LJQANCHMSA-N -1 0 349.858 3.721 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2(c3cccc(Cl)c3)CCCC2)C1 ZINC001573697641 959789188 /nfs/dbraw/zinc/78/91/88/959789188.db2.gz BBLNHCYJBMTWIF-KGLIPLIRSA-N -1 0 349.858 3.721 20 0 EHADRM C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001573698009 959797841 /nfs/dbraw/zinc/79/78/41/959797841.db2.gz DMUSBUVSRYAOKQ-CJNGLKHVSA-N -1 0 332.444 3.741 20 0 EHADRM CC[C@H](CSC)[N@H+](C)Cc1ccc(C(=O)[O-])cc1Br ZINC000226736886 959899081 /nfs/dbraw/zinc/89/90/81/959899081.db2.gz RQWUEDCDCJWEJZ-GFCCVEGCSA-N -1 0 346.290 3.721 20 0 EHADRM CN(Cc1cccs1)c1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC000226867087 959904622 /nfs/dbraw/zinc/90/46/22/959904622.db2.gz ZZANPAOMSOWPBZ-UHFFFAOYSA-N -1 0 326.761 3.644 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2c(F)cccc2C(=O)[O-])cc1 ZINC000392451587 972487892 /nfs/dbraw/zinc/48/78/92/972487892.db2.gz DTMFMIUVMYEHIM-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM Cc1cc(C(=O)[O-])nc(Oc2ccc(Br)cc2Cl)n1 ZINC000231956360 960234337 /nfs/dbraw/zinc/23/43/37/960234337.db2.gz AWVVPQABBMEKBU-UHFFFAOYSA-N -1 0 343.564 3.691 20 0 EHADRM CCCOc1ccc(NC(=O)NC2(CC(=O)[O-])CCCCC2)cc1 ZINC000392557467 972496932 /nfs/dbraw/zinc/49/69/32/972496932.db2.gz IZXMSEKNOXZYAZ-UHFFFAOYSA-N -1 0 334.416 3.775 20 0 EHADRM O=C([O-])[C@@H]1Cc2ccccc2N(Cc2ccccc2C(F)(F)F)C1 ZINC000392570049 972498301 /nfs/dbraw/zinc/49/83/01/972498301.db2.gz BIGBLYWDTXYJBD-CQSZACIVSA-N -1 0 335.325 3.969 20 0 EHADRM CC(C)(C)Cc1csc(NC(=O)c2coc(/C=C/C(=O)[O-])c2)n1 ZINC001588657947 960418948 /nfs/dbraw/zinc/41/89/48/960418948.db2.gz CQHJMFMBQWVXAV-SNAWJCMRSA-N -1 0 334.397 3.675 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H]1NC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000392608508 972502428 /nfs/dbraw/zinc/50/24/28/972502428.db2.gz KFCJQZQZLMTQOP-ZWKOTPCHSA-N -1 0 336.391 3.633 20 0 EHADRM C[C@@H](NC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)c1cccc2ccccc21 ZINC001573735106 960428520 /nfs/dbraw/zinc/42/85/20/960428520.db2.gz AKEJEEALYHPDID-HBUWYVDXSA-N -1 0 340.423 3.653 20 0 EHADRM C[C@H](CC(F)(F)F)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001123277928 960433965 /nfs/dbraw/zinc/43/39/65/960433965.db2.gz QAFGHDONRNZSKQ-SECBINFHSA-N -1 0 335.347 3.531 20 0 EHADRM COc1cnc2ccccc2c1C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001574238551 960450148 /nfs/dbraw/zinc/45/01/48/960450148.db2.gz VKZLDNIFKBSTBG-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM C[C@@H](NC(=O)c1cc2c(s1)CC[C@@H](C)C2)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001573738931 960474033 /nfs/dbraw/zinc/47/40/33/960474033.db2.gz LQTISBLWKZCABG-MHDGFBEUSA-N -1 0 349.496 3.738 20 0 EHADRM CSCc1cccc(CNC(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC001574257149 960537721 /nfs/dbraw/zinc/53/77/21/960537721.db2.gz JDAUGRVJLGVEQT-UHFFFAOYSA-N -1 0 330.409 3.570 20 0 EHADRM CSc1ccccc1[C@@H](C)NC(=O)NCc1ccccc1C(=O)[O-] ZINC001574257156 960538211 /nfs/dbraw/zinc/53/82/11/960538211.db2.gz BLFFDGMKEYHVIN-GFCCVEGCSA-N -1 0 344.436 3.667 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N(CC(=O)[O-])CC(C)(C)C)c1 ZINC001574258185 960554921 /nfs/dbraw/zinc/55/49/21/960554921.db2.gz YIPPODWOJAHNAG-UHFFFAOYSA-N -1 0 329.849 3.635 20 0 EHADRM CCC(=O)c1ccc(Cl)c(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)c1 ZINC001573758527 960587736 /nfs/dbraw/zinc/58/77/36/960587736.db2.gz JXJUIRNPWXLBGR-QGZVFWFLSA-N -1 0 335.787 3.682 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cccc(Br)c2F)c1 ZINC000236462895 960634589 /nfs/dbraw/zinc/63/45/89/960634589.db2.gz ACPNFSWRSJMLBC-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM O=C([O-])c1ccc(Sc2ncc(Br)cc2F)cc1 ZINC000236470529 960650139 /nfs/dbraw/zinc/65/01/39/960650139.db2.gz ZBSBMPQLTKGCTN-UHFFFAOYSA-N -1 0 328.162 3.833 20 0 EHADRM CCC(C)(C)OCc1ccccc1NC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001573770039 960656520 /nfs/dbraw/zinc/65/65/20/960656520.db2.gz IQXPGRSCQOAYOD-LJQANCHMSA-N -1 0 348.443 3.720 20 0 EHADRM CS[C@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CCC(C)(C)C2 ZINC001604949182 972523134 /nfs/dbraw/zinc/52/31/34/972523134.db2.gz YGRJDEZPNABBCB-MRVPVSSYSA-N -1 0 327.471 3.651 20 0 EHADRM CC(C)(CNC(=O)C1(c2cccc(Cl)c2)CCCCC1)C(=O)[O-] ZINC000236639165 960721108 /nfs/dbraw/zinc/72/11/08/960721108.db2.gz NZHSLSBOFNXTPE-UHFFFAOYSA-N -1 0 337.847 3.769 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)CCCc1ccc(Cl)cc1 ZINC000236706454 960738531 /nfs/dbraw/zinc/73/85/31/960738531.db2.gz UGTKWSGHUQPROG-UHFFFAOYSA-N -1 0 325.836 3.622 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)OC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001574307294 960746921 /nfs/dbraw/zinc/74/69/21/960746921.db2.gz YGICYGBJBFDOTP-MGPQQGTHSA-N -1 0 346.379 3.615 20 0 EHADRM CC(C)[C@@H](NC(=O)CCCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000236819817 960765461 /nfs/dbraw/zinc/76/54/61/960765461.db2.gz NSPMILCTWHLGOT-CQSZACIVSA-N -1 0 332.227 3.542 20 0 EHADRM CCOc1ccc([C@H]2CCCN2C(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000236854975 960778001 /nfs/dbraw/zinc/77/80/01/960778001.db2.gz XBKOKUDAHXKMSQ-CQSZACIVSA-N -1 0 345.420 3.822 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NCC2(OC(C)C)CCCCC2)c1 ZINC001574317927 960796875 /nfs/dbraw/zinc/79/68/75/960796875.db2.gz BNTYINGEKSBUKW-UHFFFAOYSA-N -1 0 333.428 3.551 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000236929813 960802221 /nfs/dbraw/zinc/80/22/21/960802221.db2.gz DSESOXPNFFVMIT-NSHDSACASA-N -1 0 344.386 3.577 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NCc2cccc(OCC(C)C)c2)c1 ZINC001574318321 960808950 /nfs/dbraw/zinc/80/89/50/960808950.db2.gz XOBYPVRHTVVBCY-UHFFFAOYSA-N -1 0 341.407 3.658 20 0 EHADRM Cc1cc(C)c2c(c1)CCN(C(=O)Nc1ccc(C(=O)[O-])cc1F)C2 ZINC001574322799 960835310 /nfs/dbraw/zinc/83/53/10/960835310.db2.gz VNVSTCOJCBLBPA-UHFFFAOYSA-N -1 0 342.370 3.731 20 0 EHADRM CCC[C@H](NC(=O)c1cccc(OCc2cccc(C)c2)c1)C(=O)[O-] ZINC000237021112 960836645 /nfs/dbraw/zinc/83/66/45/960836645.db2.gz JXPQMMUYYLFMDU-SFHVURJKSA-N -1 0 341.407 3.557 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)Cc1ccc2ccccc2c1 ZINC000237036563 960847386 /nfs/dbraw/zinc/84/73/86/960847386.db2.gz VNLOGPDQLQAABZ-UHFFFAOYSA-N -1 0 333.387 3.739 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cccc(Oc2ccccc2)c1 ZINC000237066045 960861878 /nfs/dbraw/zinc/86/18/78/960861878.db2.gz RCLINPRUYFVLIQ-CQSZACIVSA-N -1 0 327.380 3.804 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1sc(-c2cccs2)nc1C ZINC000237071566 960864777 /nfs/dbraw/zinc/86/47/77/960864777.db2.gz SDYJVFAUKRQJRF-SECBINFHSA-N -1 0 338.454 3.505 20 0 EHADRM CC[C@@H](Cc1ccc(F)cc1)NC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001573809851 960879432 /nfs/dbraw/zinc/87/94/32/960879432.db2.gz XIHUMSXUAWWKLW-INIZCTEOSA-N -1 0 335.419 3.688 20 0 EHADRM C[C@@H](Cc1cccs1)NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000237384477 960923121 /nfs/dbraw/zinc/92/31/21/960923121.db2.gz LXALWQZHOQISIV-RYUDHWBXSA-N -1 0 349.477 3.674 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C(=O)c1ccc(C(=O)[O-])nc1)C1CC1 ZINC000237435483 960934398 /nfs/dbraw/zinc/93/43/98/960934398.db2.gz LPVODILPWYAEAK-LLVKDONJSA-N -1 0 344.798 3.799 20 0 EHADRM Cc1ccccc1OCCCC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000237551774 960960516 /nfs/dbraw/zinc/96/05/16/960960516.db2.gz ZYUZHUAKFUWLLC-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000237587992 960967787 /nfs/dbraw/zinc/96/77/87/960967787.db2.gz ZDNJHPGSIFKWSX-GFCCVEGCSA-N -1 0 346.452 3.528 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccccc1 ZINC000237620115 960976488 /nfs/dbraw/zinc/97/64/88/960976488.db2.gz OLHIRMJSKQKZBM-AYLJLJJLSA-N -1 0 343.810 3.931 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)C2(Cc3cccc(Cl)c3)CCCC2)C1 ZINC000237638642 960981626 /nfs/dbraw/zinc/98/16/26/960981626.db2.gz VMXQJCJURLWXMZ-SFHVURJKSA-N -1 0 349.858 3.766 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2ccc(Cn3cccc3)cc2)c1 ZINC001320894517 960993311 /nfs/dbraw/zinc/99/33/11/960993311.db2.gz NJNQAGQTCPXZII-UHFFFAOYSA-N -1 0 326.377 3.548 20 0 EHADRM C[C@H]1CC[C@@H](CCC(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)O1 ZINC000237706056 961004236 /nfs/dbraw/zinc/00/42/36/961004236.db2.gz DIVRTNUKFDKKPO-GWCFXTLKSA-N -1 0 333.409 3.886 20 0 EHADRM Cc1ccc(CCCC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)cc1 ZINC000237707429 961004295 /nfs/dbraw/zinc/00/42/95/961004295.db2.gz YYHFJBDPMXJZHX-UHFFFAOYSA-N -1 0 337.379 3.531 20 0 EHADRM Cc1ccc(NC(=O)/C=C/c2nc3ccccc3s2)cc1C(=O)[O-] ZINC000237711948 961005970 /nfs/dbraw/zinc/00/59/70/961005970.db2.gz FLGGSCMUQWYUJQ-CMDGGOBGSA-N -1 0 338.388 3.955 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001574357801 961011403 /nfs/dbraw/zinc/01/14/03/961011403.db2.gz YUUNICNEJNZZLA-HOCLYGCPSA-N -1 0 335.444 3.501 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1ccc(Cl)cc1F ZINC000237766308 961020839 /nfs/dbraw/zinc/02/08/39/961020839.db2.gz MZXZANRRZGGDCJ-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@@]3(C(=O)[O-])CC=CCC3)C2)cc1 ZINC001574360595 961025818 /nfs/dbraw/zinc/02/58/18/961025818.db2.gz DSFQNGXLVWGZFX-XAUMDUMWSA-N -1 0 327.424 3.511 20 0 EHADRM CC(C)(C)OC(=O)Nc1cccc(OC(=O)CCCCC(=O)[O-])c1 ZINC001588725591 961043500 /nfs/dbraw/zinc/04/35/00/961043500.db2.gz KOAIVFOKEJKKKF-UHFFFAOYSA-N -1 0 337.372 3.584 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000237981419 961064239 /nfs/dbraw/zinc/06/42/39/961064239.db2.gz WVQSTSONGQAJKC-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCc2ccc(Cl)cc2Cl)s1 ZINC000238048495 961085629 /nfs/dbraw/zinc/08/56/29/961085629.db2.gz PIBRQDUSPMSMJP-UHFFFAOYSA-N -1 0 330.192 3.683 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)o1 ZINC000238048561 961086559 /nfs/dbraw/zinc/08/65/59/961086559.db2.gz IMRXEKVJXIQHOZ-UHFFFAOYSA-N -1 0 333.315 3.691 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2C[C@H]3CCCC[C@@]32c2ccccc2)c1 ZINC000238062896 961091728 /nfs/dbraw/zinc/09/17/28/961091728.db2.gz MNVTZAXUJKOELS-WIYYLYMNSA-N -1 0 335.403 3.926 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N2C[C@H]3CCCC[C@]32c2ccccc2)cc1 ZINC001326426319 961091775 /nfs/dbraw/zinc/09/17/75/961091775.db2.gz MQLAJDJWLPKKNM-KNQAVFIVSA-N -1 0 349.430 3.855 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)Cc2cccc(C(F)(F)F)c2)c1 ZINC000238103665 961099436 /nfs/dbraw/zinc/09/94/36/961099436.db2.gz QOXMPJGXJBVEIH-UHFFFAOYSA-N -1 0 341.260 3.724 20 0 EHADRM CC(C)(C)OCCCC(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21 ZINC001588733205 961109294 /nfs/dbraw/zinc/10/92/94/961109294.db2.gz NEPNIVZLCBNRQF-OAHLLOKOSA-N -1 0 347.455 3.652 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001574382096 961110111 /nfs/dbraw/zinc/11/01/11/961110111.db2.gz LUCXHUQXHZENGW-KRWDZBQOSA-N -1 0 348.402 3.609 20 0 EHADRM O=C([O-])CN(Cc1cccs1)c1ccc(Br)cc1 ZINC000238154925 961134279 /nfs/dbraw/zinc/13/42/79/961134279.db2.gz ASOBTUIYSBSUCO-UHFFFAOYSA-N -1 0 326.215 3.602 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)c2ccc(F)cc2Cl)cc1 ZINC000238203332 961156689 /nfs/dbraw/zinc/15/66/89/961156689.db2.gz VIWGWVNXOIDTQK-UHFFFAOYSA-N -1 0 337.734 3.585 20 0 EHADRM CCCN(Cc1c(F)cccc1Cl)C(=O)[C@@H](C(=O)[O-])C(C)C ZINC001573857647 961158556 /nfs/dbraw/zinc/15/85/56/961158556.db2.gz SUEDJGWFJDQICC-AWEZNQCLSA-N -1 0 329.799 3.575 20 0 EHADRM Cc1cccc([C@@H](NC(=O)/C=C/c2ccc(Cl)cc2)C(=O)[O-])c1 ZINC001574389614 961161463 /nfs/dbraw/zinc/16/14/63/961161463.db2.gz OHWSYUMFLZMZEJ-PYUISTEWSA-N -1 0 329.783 3.604 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)CCCOc1cccc(F)c1 ZINC001574389958 961164747 /nfs/dbraw/zinc/16/47/47/961164747.db2.gz WXQFXSSSEHOBLB-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM CC(C)(C)c1ccc(OC(=O)c2cccc(OCC(=O)[O-])c2)cc1 ZINC001588741081 961166731 /nfs/dbraw/zinc/16/67/31/961166731.db2.gz LLBRWAXVHJLMMY-UHFFFAOYSA-N -1 0 328.364 3.667 20 0 EHADRM CCCOCc1ccccc1CNC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001573860229 961169281 /nfs/dbraw/zinc/16/92/81/961169281.db2.gz KUNFXNYLNSBYBO-UHFFFAOYSA-N -1 0 347.455 3.655 20 0 EHADRM CCCOc1ccc(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1C ZINC001573861786 961173887 /nfs/dbraw/zinc/17/38/87/961173887.db2.gz DBSIEEJRIWXCSB-TWGQIWQCSA-N -1 0 329.352 3.727 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000263213953 1125476746 /nfs/dbraw/zinc/47/67/46/1125476746.db2.gz ZNKCXEHNIBDWJN-PBHICJAKSA-N -1 0 338.407 3.928 20 0 EHADRM Cc1conc1C(=O)Nc1sc2c(c1C(=O)[O-])CCC(C)(C)C2 ZINC001574412305 961296536 /nfs/dbraw/zinc/29/65/36/961296536.db2.gz CJGJTBARLNSRLU-UHFFFAOYSA-N -1 0 334.397 3.510 20 0 EHADRM Cc1nc(-c2ccccc2)sc1NC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001574417709 961331910 /nfs/dbraw/zinc/33/19/10/961331910.db2.gz FFSKELGZVNTLNC-ZDUSSCGKSA-N -1 0 347.440 3.739 20 0 EHADRM C[C@H](NC(=O)c1cccc(CC(=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC001330789405 961353532 /nfs/dbraw/zinc/35/35/32/961353532.db2.gz DTGQDEINDHFFRJ-NSHDSACASA-N -1 0 346.452 3.559 20 0 EHADRM Cc1ccc2c(c1)S[C@H](C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1)C2 ZINC001331399693 961373951 /nfs/dbraw/zinc/37/39/51/961373951.db2.gz PRAACRJXSNGXBO-SJCJKPOMSA-N -1 0 341.432 3.839 20 0 EHADRM C[C@H]1CN(C(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)CC[C@H]1C(=O)[O-] ZINC000261751421 961391281 /nfs/dbraw/zinc/39/12/81/961391281.db2.gz UTRDMFJPVWWWFU-YNVCXSHYSA-N -1 0 333.472 3.552 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000261790175 961392291 /nfs/dbraw/zinc/39/22/91/961392291.db2.gz YTMVHTUMWKTWBR-ZSLBOAEBSA-N -1 0 347.377 3.599 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001588799245 961413447 /nfs/dbraw/zinc/41/34/47/961413447.db2.gz QKIOUUFMAGRDJX-HIFRSBDPSA-N -1 0 333.453 3.728 20 0 EHADRM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)Cc2ccccc2C(=O)[O-])o1 ZINC000262099118 961457013 /nfs/dbraw/zinc/45/70/13/961457013.db2.gz DHSILSXCGDCTPS-CXAGYDPISA-N -1 0 341.407 3.829 20 0 EHADRM CC(C)[C@@H](CNC(=O)[C@H](C(=O)[O-])C(C)C)c1ccc(Cl)cc1 ZINC001588805382 961476597 /nfs/dbraw/zinc/47/65/97/961476597.db2.gz VYPLFNYMWLWPTB-HUUCEWRRSA-N -1 0 325.836 3.553 20 0 EHADRM COc1ccc([C@@H](C)N(C)C(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC000262150877 961501696 /nfs/dbraw/zinc/50/16/96/961501696.db2.gz JLWNCNIHNZEGOU-CQSZACIVSA-N -1 0 341.407 3.546 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(OCc2ccccc2F)cc1 ZINC001588809118 961506543 /nfs/dbraw/zinc/50/65/43/961506543.db2.gz ATOOIJNIERJLAF-QGZVFWFLSA-N -1 0 345.370 3.700 20 0 EHADRM Cc1ccccc1CC(C)(C)NC(=O)CCc1ccccc1C(=O)[O-] ZINC000262206158 961552311 /nfs/dbraw/zinc/55/23/11/961552311.db2.gz PETMJUJMLQXMRG-UHFFFAOYSA-N -1 0 339.435 3.763 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)Cc2ccccc2C(=O)[O-])C1 ZINC000262206126 961552422 /nfs/dbraw/zinc/55/24/22/961552422.db2.gz PDPSPTGVSBGGHH-DOTOQJQBSA-N -1 0 337.419 3.640 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)CCCc1cccs1 ZINC000262205531 961552783 /nfs/dbraw/zinc/55/27/83/961552783.db2.gz WBJMUGNQOPNOSG-UHFFFAOYSA-N -1 0 345.464 3.964 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N[C@H]1C[C@H]1c1ccccc1)C(=O)[O-] ZINC000262207061 961554005 /nfs/dbraw/zinc/55/40/05/961554005.db2.gz VHIAZRGQENXGEX-RCBQFDQVSA-N -1 0 341.432 3.538 20 0 EHADRM C[C@@H](CC1CCCCC1)C(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001332506797 961586539 /nfs/dbraw/zinc/58/65/39/961586539.db2.gz IWRWCHJGQDOMEJ-AWEZNQCLSA-N -1 0 329.440 3.876 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)CCc2ccc3ccccc3c2)C1 ZINC000262268935 961605679 /nfs/dbraw/zinc/60/56/79/961605679.db2.gz WAERQUBHRCRPNQ-QGZVFWFLSA-N -1 0 339.435 3.876 20 0 EHADRM CC(C)[C@H](CNC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC001588821017 961614663 /nfs/dbraw/zinc/61/46/63/961614663.db2.gz MGEVOABVOQJWKW-SOGBHIHOSA-N -1 0 327.380 3.547 20 0 EHADRM CC(C)[C@H](CNC(=O)N1C[C@@H](C(C)(C)C)c2ccccc21)C(=O)[O-] ZINC001588821644 961632358 /nfs/dbraw/zinc/63/23/58/961632358.db2.gz QYUGCQRJTRZCGB-LSDHHAIUSA-N -1 0 332.444 3.703 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)[O-] ZINC001588830018 961697309 /nfs/dbraw/zinc/69/73/09/961697309.db2.gz HFLCHENXMAOLIZ-QGZVFWFLSA-N -1 0 345.370 3.705 20 0 EHADRM CC(C)c1sc(NC(=O)[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)nc1C(=O)[O-] ZINC001333358860 961699546 /nfs/dbraw/zinc/69/95/46/961699546.db2.gz PAHQFVJKHVCNIJ-HLTSFMKQSA-N -1 0 344.383 3.585 20 0 EHADRM CC(C)(C)c1ccc(C2(C(=O)NCC3(C(=O)[O-])CCCC3)CC2)cc1 ZINC001333549517 961717283 /nfs/dbraw/zinc/71/72/83/961717283.db2.gz RCYFSLAIHYPLCY-UHFFFAOYSA-N -1 0 343.467 3.777 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000262435460 961720311 /nfs/dbraw/zinc/72/03/11/961720311.db2.gz TVGZBSLHJBOXST-CABCVRRESA-N -1 0 329.421 3.816 20 0 EHADRM CC(C)(C)c1ncsc1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000262456457 961731548 /nfs/dbraw/zinc/73/15/48/961731548.db2.gz WUPQDJVSCVLVNR-UHFFFAOYSA-N -1 0 332.425 3.710 20 0 EHADRM C[C@H](CNC(=O)c1ccccc1S[C@@H](C)C(=O)[O-])c1ccccc1 ZINC000262656062 961796549 /nfs/dbraw/zinc/79/65/49/961796549.db2.gz SSPRXJIZNVKHKO-KGLIPLIRSA-N -1 0 343.448 3.785 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)CCc1ccc(OC(F)F)cc1 ZINC001334357641 961802744 /nfs/dbraw/zinc/80/27/44/961802744.db2.gz GEJHOSOINYWQHQ-UHFFFAOYSA-N -1 0 349.333 3.866 20 0 EHADRM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)o1 ZINC000262675695 961802797 /nfs/dbraw/zinc/80/27/97/961802797.db2.gz AGNAOEYEHDIDNT-QCEMKRCNSA-N -1 0 333.428 3.779 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)CC1 ZINC000262688904 961808597 /nfs/dbraw/zinc/80/85/97/961808597.db2.gz DJXUMOCIBDVRAI-IIDMSEBBSA-N -1 0 327.424 3.556 20 0 EHADRM C[C@H](C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-])c1ccc(Cl)s1 ZINC000262709362 961818702 /nfs/dbraw/zinc/81/87/02/961818702.db2.gz BIYQBECTMXTMOA-AMJWSMQMSA-N -1 0 329.849 3.655 20 0 EHADRM CC[C@@H](C)CC(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000262744797 961843660 /nfs/dbraw/zinc/84/36/60/961843660.db2.gz AKEBNVAQHUNBRB-ZWNOBZJWSA-N -1 0 342.233 3.517 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2F)CC1 ZINC000262745607 961845642 /nfs/dbraw/zinc/84/56/42/961845642.db2.gz XBQOYDDVOQSSMC-KYZUINATSA-N -1 0 333.281 3.674 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)CCCc2ccsc2)c2ccccc21 ZINC001574524246 961866157 /nfs/dbraw/zinc/86/61/57/961866157.db2.gz IXPROZROWMIPHL-CVEARBPZSA-N -1 0 329.421 3.500 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)Cc2csc(C(C)(C)C)n2)c1 ZINC000262813653 961880682 /nfs/dbraw/zinc/88/06/82/961880682.db2.gz AGZXWKMIVCJIKR-LLVKDONJSA-N -1 0 346.452 3.810 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N1CC2(CCC2)c2c1cccc2F)C(=O)[O-] ZINC001588846745 961885695 /nfs/dbraw/zinc/88/56/95/961885695.db2.gz DYBLKZJMUYPNOD-ZDUSSCGKSA-N -1 0 348.418 3.524 20 0 EHADRM CC(C)N(C)C(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000262851558 961918419 /nfs/dbraw/zinc/91/84/19/961918419.db2.gz KCQIBDPUGBQWAS-UHFFFAOYSA-N -1 0 333.409 3.751 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N1CCC[C@H](C2CCCCC2)C1)C(=O)[O-] ZINC001588850472 961920440 /nfs/dbraw/zinc/92/04/40/961920440.db2.gz MVHZDKCJTKCGAI-IRXDYDNUSA-N -1 0 338.492 3.735 20 0 EHADRM CN(CCOc1ccccc1Cl)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001574014041 961935866 /nfs/dbraw/zinc/93/58/66/961935866.db2.gz NYTIQVSKLMWONE-UHFFFAOYSA-N -1 0 348.786 3.581 20 0 EHADRM CC(C)C[C@H](CNC(=O)NC[C@@H](Cc1ccccc1)C(C)C)C(=O)[O-] ZINC001588853077 961953478 /nfs/dbraw/zinc/95/34/78/961953478.db2.gz VILHNIWTBNKBSS-QZTJIDSGSA-N -1 0 348.487 3.547 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)CCCC1 ZINC000262902789 961980710 /nfs/dbraw/zinc/98/07/10/961980710.db2.gz MKNUMVTUTRRKDE-QZTJIDSGSA-N -1 0 337.419 3.847 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)N(C)c1ccc(OCC(=O)[O-])cc1 ZINC000262930787 962013795 /nfs/dbraw/zinc/01/37/95/962013795.db2.gz FWHMFRBRHYNWTJ-OAHLLOKOSA-N -1 0 333.428 3.719 20 0 EHADRM CC[C@](C)(NC(=O)c1cc(-c2ccc(OC)cc2)c(C)s1)C(=O)[O-] ZINC000262930206 962014096 /nfs/dbraw/zinc/01/40/96/962014096.db2.gz BCJSRTCYCCYLPS-SFHVURJKSA-N -1 0 347.436 3.715 20 0 EHADRM CCC(CC)n1nc(C(=O)Nc2ccc(C(=O)[O-])cc2OC)cc1C ZINC000262947728 962032295 /nfs/dbraw/zinc/03/22/95/962032295.db2.gz MPJAKYCLGAIYIV-UHFFFAOYSA-N -1 0 345.399 3.512 20 0 EHADRM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)C1CCC(c2ccccc2)CC1 ZINC000262947893 962032702 /nfs/dbraw/zinc/03/27/02/962032702.db2.gz LCGJDDQDFCAEHI-GXZRBYELSA-N -1 0 341.451 3.672 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)NC[C@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC001574567219 962042268 /nfs/dbraw/zinc/04/22/68/962042268.db2.gz CYUYOPNFEWMYSV-ZJPYXAASSA-N -1 0 344.455 3.513 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000262969111 962055242 /nfs/dbraw/zinc/05/52/42/962055242.db2.gz MPDPZEISNHHFGF-OHNRDTAOSA-N -1 0 348.402 3.646 20 0 EHADRM CCC[C@@H](C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000262979962 962069672 /nfs/dbraw/zinc/06/96/72/962069672.db2.gz UFEYBPGOWIJZGZ-MSOLQXFVSA-N -1 0 343.398 3.694 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1cc(-c2ccccc2)ccc1Cl ZINC000263004998 962100141 /nfs/dbraw/zinc/10/01/41/962100141.db2.gz WQCRSCJTZWYIGI-PBHICJAKSA-N -1 0 343.810 3.990 20 0 EHADRM O=C([O-])CCCCNC(=O)N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001340566926 962105413 /nfs/dbraw/zinc/10/54/13/962105413.db2.gz KRDVMLBQLZLBHX-UKRRQHHQSA-N -1 0 338.835 3.530 20 0 EHADRM O=C([O-])CCCCNC(=O)N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001340566925 962105587 /nfs/dbraw/zinc/10/55/87/962105587.db2.gz KRDVMLBQLZLBHX-HIFRSBDPSA-N -1 0 338.835 3.530 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(CCC(F)(F)F)cc2)[C@H](C(=O)[O-])C1 ZINC000263032966 962149211 /nfs/dbraw/zinc/14/92/11/962149211.db2.gz OQLZSWFSWSNXIU-RISCZKNCSA-N -1 0 343.345 3.507 20 0 EHADRM C[C@@H](CNC(=O)CCCCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000263059337 962197504 /nfs/dbraw/zinc/19/75/04/962197504.db2.gz SOCSBKXXMBVTLV-NSHDSACASA-N -1 0 331.334 3.570 20 0 EHADRM CC(C)(CCNC(=O)CC(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000263064391 962205399 /nfs/dbraw/zinc/20/53/99/962205399.db2.gz QVWZSZWLAYHYRW-UHFFFAOYSA-N -1 0 339.435 3.826 20 0 EHADRM O=C([O-])[C@H](C(=O)NCc1c(Cl)cccc1Cl)C1CCCC1 ZINC001574617779 962237190 /nfs/dbraw/zinc/23/71/90/962237190.db2.gz VTVIKYWUPDIZIK-ZDUSSCGKSA-N -1 0 330.211 3.501 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1cccc(Oc2ccccc2)n1)C1CCCC1 ZINC001574620498 962240255 /nfs/dbraw/zinc/24/02/55/962240255.db2.gz BPNAZRRMEXBFKX-KRWDZBQOSA-N -1 0 340.379 3.703 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)C2(c3ccc(F)cc3)CCCC2)s1 ZINC000263101995 962252634 /nfs/dbraw/zinc/25/26/34/962252634.db2.gz CWZBYFJGPJMJET-UHFFFAOYSA-N -1 0 347.411 3.714 20 0 EHADRM CC[C@@H](C)n1ncc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)c1C ZINC000263110095 962261844 /nfs/dbraw/zinc/26/18/44/962261844.db2.gz VOJRCCQIXSCQTR-GFCCVEGCSA-N -1 0 344.415 3.824 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)CCc2ccoc2)cc1 ZINC000263115041 962266963 /nfs/dbraw/zinc/26/69/63/962266963.db2.gz JZXYRTKFNVIOCF-KRWDZBQOSA-N -1 0 343.423 3.842 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000263127032 962280310 /nfs/dbraw/zinc/28/03/10/962280310.db2.gz YPXVRKFWSXPMRF-MRXNPFEDSA-N -1 0 341.860 3.779 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000263150232 962303716 /nfs/dbraw/zinc/30/37/16/962303716.db2.gz LTVLBRHOWIOCOJ-CVEARBPZSA-N -1 0 327.355 3.883 20 0 EHADRM CCO[C@H](C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1)c1ccccc1 ZINC000263198460 962352955 /nfs/dbraw/zinc/35/29/55/962352955.db2.gz JNZDQTQTAYBWIY-DYVFJYSZSA-N -1 0 327.380 3.591 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2ccc(OCC3CC3)cc2)c1 ZINC000263198445 962353236 /nfs/dbraw/zinc/35/32/36/962353236.db2.gz JNUVYFLSNJYGIE-ZDUSSCGKSA-N -1 0 339.391 3.916 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)C1 ZINC000263200992 962357808 /nfs/dbraw/zinc/35/78/08/962357808.db2.gz JYCSPIIWZVSONW-HDMKZQKVSA-N -1 0 340.423 3.722 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC000263206773 962362501 /nfs/dbraw/zinc/36/25/01/962362501.db2.gz ZDYSZXLKROSCSH-GOEBONIOSA-N -1 0 347.455 3.934 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000263283477 962423058 /nfs/dbraw/zinc/42/30/58/962423058.db2.gz XQUXLHHHWVVSSX-MRXNPFEDSA-N -1 0 337.391 3.519 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)C[C@@H]2OCCc3ccccc32)cc1 ZINC000263295183 962437260 /nfs/dbraw/zinc/43/72/60/962437260.db2.gz MWQVVTXDXSBSSR-UGSOOPFHSA-N -1 0 339.391 3.517 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000263295960 962439253 /nfs/dbraw/zinc/43/92/53/962439253.db2.gz NBQGETYADNHCRL-KSSFIOAISA-N -1 0 341.407 3.979 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)c2c(F)cccc2Sc2ccccc2)C1 ZINC001574655853 962455918 /nfs/dbraw/zinc/45/59/18/962455918.db2.gz HABLPKUIEIRNGK-LBPRGKRZSA-N -1 0 345.395 3.524 20 0 EHADRM O=C([O-])C1CCN(c2nc(-c3ccccc3)nc3ccccc32)CC1 ZINC001349486339 962468468 /nfs/dbraw/zinc/46/84/68/962468468.db2.gz GPTPLNOXUSSOTM-UHFFFAOYSA-N -1 0 333.391 3.598 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2ccc(F)cc2OCC2CC2)c1 ZINC000263338988 962487581 /nfs/dbraw/zinc/48/75/81/962487581.db2.gz RLZWJSGUJHXTOX-UHFFFAOYSA-N -1 0 343.354 3.873 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000263349236 962501812 /nfs/dbraw/zinc/50/18/12/962501812.db2.gz OXWACJWZMBTAFN-ZDUSSCGKSA-N -1 0 343.448 3.917 20 0 EHADRM COc1ccccc1[C@@H]1CCCN1C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC000263361032 962518495 /nfs/dbraw/zinc/51/84/95/962518495.db2.gz YJAYXINFISSLRP-KRWDZBQOSA-N -1 0 339.391 3.679 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)CCCCc1ccccc1 ZINC001574668608 962533578 /nfs/dbraw/zinc/53/35/78/962533578.db2.gz BVTPGZBHXWNDQJ-HXUWFJFHSA-N -1 0 337.419 3.610 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)NC1CCC(C(=O)[O-])CC1)CC2 ZINC000263381593 962538962 /nfs/dbraw/zinc/53/89/62/962538962.db2.gz PANKDNYGDNKNRP-PVARCSIZSA-N -1 0 344.455 3.740 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)CC[C@H]1CCc2ccccc21 ZINC001574668839 962539910 /nfs/dbraw/zinc/53/99/10/962539910.db2.gz LYGFDBQKUXFSAB-UTKZUKDTSA-N -1 0 349.430 3.707 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N[C@H](c1ccccc1)C(C)(C)C ZINC000263397951 962559033 /nfs/dbraw/zinc/55/90/33/962559033.db2.gz FWEFZHYVTNTLMS-QGZVFWFLSA-N -1 0 329.396 3.732 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)N(C)C(C)(C)CC(=O)[O-] ZINC001351152980 962609749 /nfs/dbraw/zinc/60/97/49/962609749.db2.gz MBDJXTDCVJGYTQ-SNVBAGLBSA-N -1 0 329.849 3.532 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cc(C2CC2)[nH]c1C1CC1 ZINC001574691913 962639679 /nfs/dbraw/zinc/63/96/79/962639679.db2.gz HNHKKOPDFCPBHE-AWEZNQCLSA-N -1 0 330.428 3.629 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)NCCCc1ccc(C(C)C)cc1 ZINC000263453144 962642105 /nfs/dbraw/zinc/64/21/05/962642105.db2.gz TVAWLMVKZBDEDT-UHFFFAOYSA-N -1 0 343.423 3.701 20 0 EHADRM O=C([O-])CCCCNC(=O)Nc1cccc(SC(F)(F)F)c1 ZINC001574702345 962688064 /nfs/dbraw/zinc/68/80/64/962688064.db2.gz YWPPDUZMXMRMOH-UHFFFAOYSA-N -1 0 336.335 3.675 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N[C@@H]2CCCc3sccc32)cc1 ZINC000263548370 962721972 /nfs/dbraw/zinc/72/19/72/962721972.db2.gz VDOGDXKYFINVHI-OAHLLOKOSA-N -1 0 329.421 3.573 20 0 EHADRM COc1cc(Oc2ccccc2)ccc1NC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC000263574787 962738983 /nfs/dbraw/zinc/73/89/83/962738983.db2.gz NYTWKCTURHDNAS-LSDHHAIUSA-N -1 0 341.363 3.537 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC2(Cc3cccc(F)c3)CCC2)c(F)c1 ZINC000263579418 962745648 /nfs/dbraw/zinc/74/56/48/962745648.db2.gz URGILPREDGEMGU-UHFFFAOYSA-N -1 0 345.345 3.558 20 0 EHADRM CC(C)n1ncc2cc(NC(=O)C3(C(=O)[O-])CCCCC3)ccc21 ZINC001588987389 962762770 /nfs/dbraw/zinc/76/27/70/962762770.db2.gz YUSQTVBZXTUXNM-UHFFFAOYSA-N -1 0 329.400 3.591 20 0 EHADRM COc1cc(Oc2ccccc2)ccc1NC(=O)C1(C(=O)[O-])CCC1 ZINC001574194930 962869698 /nfs/dbraw/zinc/86/96/98/962869698.db2.gz KUKIZBDGKYWJRJ-UHFFFAOYSA-N -1 0 341.363 3.681 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N[C@H]1CCCC(C)(C)C1)C(=O)[O-] ZINC001526774147 962911728 /nfs/dbraw/zinc/91/17/28/962911728.db2.gz GSBUKHMAZBDMAP-OLZOCXBDSA-N -1 0 335.469 3.950 20 0 EHADRM COc1ccc2c(c1)C[C@@H](C(C)C)CN2C(=O)C1(CC(=O)[O-])CCC1 ZINC001574225437 962970541 /nfs/dbraw/zinc/97/05/41/962970541.db2.gz ATIBBMCRYXYNJE-OAHLLOKOSA-N -1 0 345.439 3.502 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001549911356 962982045 /nfs/dbraw/zinc/98/20/45/962982045.db2.gz RVLJGDPGBVUUEN-KDOFPFPSSA-N -1 0 347.411 3.818 20 0 EHADRM O=C([O-])c1cncc(NC(=O)c2ccc(OCc3ccccc3)cc2)c1 ZINC000311471586 963481806 /nfs/dbraw/zinc/48/18/06/963481806.db2.gz YMDSWPRIHXEDON-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)C[C@@H]1C=CCC1 ZINC000312297041 963551037 /nfs/dbraw/zinc/55/10/37/963551037.db2.gz MXHCHDZGPYMLLH-SNVBAGLBSA-N -1 0 338.201 3.751 20 0 EHADRM CCCCN(C)C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000312844763 963597733 /nfs/dbraw/zinc/59/77/33/963597733.db2.gz WRXVFUYVUPHUKT-UHFFFAOYSA-N -1 0 343.221 3.720 20 0 EHADRM O=C([O-])CN(C(=O)CSc1ccc(Cl)cc1)c1ccccc1 ZINC000314494673 963761565 /nfs/dbraw/zinc/76/15/65/963761565.db2.gz RXVLYMWYBUAGKW-UHFFFAOYSA-N -1 0 335.812 3.550 20 0 EHADRM Cc1oc(CNC(=O)c2cc(F)c(Cl)cc2Cl)cc1C(=O)[O-] ZINC000314823077 963815204 /nfs/dbraw/zinc/81/52/04/963815204.db2.gz ZPDVLOCTUGXZHR-UHFFFAOYSA-N -1 0 346.141 3.662 20 0 EHADRM CC(C)Oc1ccc([C@H](C)NC(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000236742424 967779069 /nfs/dbraw/zinc/77/90/69/967779069.db2.gz FWTSTVITMJDZDM-ZDUSSCGKSA-N -1 0 327.380 3.663 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)NCCCCCC(=O)[O-] ZINC000237568392 967785069 /nfs/dbraw/zinc/78/50/69/967785069.db2.gz DNFMPTBOYZQDOR-NSHDSACASA-N -1 0 329.849 3.582 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263135164 967852544 /nfs/dbraw/zinc/85/25/44/967852544.db2.gz DEFPCNVGDUXHEL-WDEREUQCSA-N -1 0 341.860 3.635 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NC2(c3ccc(Cl)cc3)CCCC2)C1 ZINC000263209865 967861907 /nfs/dbraw/zinc/86/19/07/967861907.db2.gz LHLNTPRFOZLDSC-QWHCGFSZSA-N -1 0 335.831 3.726 20 0 EHADRM CC[C@H](NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)c1ccc(Cl)s1 ZINC000263327078 967872283 /nfs/dbraw/zinc/87/22/83/967872283.db2.gz KTUIMMPKPOZKNT-MXWKQRLJSA-N -1 0 344.864 3.605 20 0 EHADRM Cc1c(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)sc2cccc(F)c12 ZINC000263533649 967900098 /nfs/dbraw/zinc/90/00/98/967900098.db2.gz XYMJHISPZDNTHF-MWLCHTKSSA-N -1 0 335.400 3.674 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)N[C@H](C)c2ccc(Cl)cc2)C1 ZINC000320455112 968005654 /nfs/dbraw/zinc/00/56/54/968005654.db2.gz NTWHHLUBKBGKPH-PXAZEXFGSA-N -1 0 338.835 3.687 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000321459447 968013014 /nfs/dbraw/zinc/01/30/14/968013014.db2.gz UMVMMJVQNQMSTR-LBPRGKRZSA-N -1 0 332.322 3.635 20 0 EHADRM C[C@@H](CCNC(=O)Nc1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC000325763456 968040760 /nfs/dbraw/zinc/04/07/60/968040760.db2.gz SNTBOPPFDHWJPH-AWEZNQCLSA-N -1 0 326.396 3.629 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)[O-] ZINC000360820611 968055542 /nfs/dbraw/zinc/05/55/42/968055542.db2.gz VVEBREDGXYBEIO-CYBMUJFWSA-N -1 0 345.420 3.537 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)CC1 ZINC000364193718 968055787 /nfs/dbraw/zinc/05/57/87/968055787.db2.gz FDOQURYBSOQJRT-ROUUACIJSA-N -1 0 337.419 3.657 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1cccc(Cl)c1Cl ZINC000397078433 968244206 /nfs/dbraw/zinc/24/42/06/968244206.db2.gz PLKDJIMJDWUIJG-IUCAKERBSA-N -1 0 331.199 3.710 20 0 EHADRM Cc1c(NC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cccc1C(F)(F)F ZINC000517145681 968391855 /nfs/dbraw/zinc/39/18/55/968391855.db2.gz QASBVBMKPOJCHN-KOLCDFICSA-N -1 0 344.333 3.588 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc3cccc(Cl)c3s2)C1 ZINC000566973836 968430578 /nfs/dbraw/zinc/43/05/78/968430578.db2.gz IHDYMIKAPSVLGS-KOLCDFICSA-N -1 0 337.828 3.738 20 0 EHADRM Cc1cc(NC(=O)N2CCC(C)(C(=O)[O-])CC2)ccc1C(F)(F)F ZINC000647697169 968577131 /nfs/dbraw/zinc/57/71/31/968577131.db2.gz VWRXUVQTGNRGEA-UHFFFAOYSA-N -1 0 344.333 3.732 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2ccc3[nH]c(C4CCC4)nc3c2)CC=CCC1 ZINC000653281908 968637968 /nfs/dbraw/zinc/63/79/68/968637968.db2.gz FNUHGJDGOKTEMS-LJQANCHMSA-N -1 0 339.395 3.580 20 0 EHADRM O=C([O-])[C@@]1(C(=O)NC2CCC(c3ccccc3)CC2)CC=CCC1 ZINC000653281369 968638014 /nfs/dbraw/zinc/63/80/14/968638014.db2.gz FVNGGDIZKXJASW-UHYCVJNDSA-N -1 0 327.424 3.640 20 0 EHADRM CC[C@@H](C(=O)N(CC(=O)[O-])CC1CC1)c1cccc(C(F)(F)F)c1 ZINC000653325758 968660645 /nfs/dbraw/zinc/66/06/45/968660645.db2.gz KYUWSPQHFYOTRT-CQSZACIVSA-N -1 0 343.345 3.522 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2scnc2C2CCCC2)c1 ZINC000653540983 968674172 /nfs/dbraw/zinc/67/41/72/968674172.db2.gz SPKXMQITLHLEQW-UHFFFAOYSA-N -1 0 330.409 3.680 20 0 EHADRM CCC(=O)c1cccc(NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000653540763 968674190 /nfs/dbraw/zinc/67/41/90/968674190.db2.gz SWAZXNRNKMBTKN-TUKIKUTGSA-N -1 0 346.427 3.536 20 0 EHADRM Cc1cccc2cc(C(=O)N[C@@H](C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)oc21 ZINC000655581410 968687837 /nfs/dbraw/zinc/68/78/37/968687837.db2.gz YLYLDOREMOWMJH-FPMFFAJLSA-N -1 0 329.396 3.606 20 0 EHADRM O=C([O-])CCCCNC(=O)Nc1ccccc1CCC(F)(F)F ZINC000669500909 968856459 /nfs/dbraw/zinc/85/64/59/968856459.db2.gz CYBMUBSUWAFJPK-UHFFFAOYSA-N -1 0 332.322 3.558 20 0 EHADRM O=C([O-])CCNC(=O)/C=C\c1ccc(-c2ccccc2Cl)s1 ZINC000766859199 969158363 /nfs/dbraw/zinc/15/83/63/969158363.db2.gz WDUSJYAZKJVUHH-VURMDHGXSA-N -1 0 335.812 3.673 20 0 EHADRM CC(C)c1ncsc1NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000846798844 969259010 /nfs/dbraw/zinc/25/90/10/969259010.db2.gz VGYQHUAYFTVSKI-OUAUKWLOSA-N -1 0 339.461 3.523 20 0 EHADRM CC(C)(C)CC[C@@H](Nc1cc(Cl)nc([C@H]2CCCO2)n1)C(=O)[O-] ZINC000886910568 969407952 /nfs/dbraw/zinc/40/79/52/969407952.db2.gz SFBQJDFHOXPQSY-GHMZBOCLSA-N -1 0 341.839 3.673 20 0 EHADRM Cc1ccc([C@@H]2CCN(C(=O)NCCCCC(=O)[O-])C2(C)C)cc1 ZINC000898836713 969413961 /nfs/dbraw/zinc/41/39/61/969413961.db2.gz ZKABVXDITLNCFV-INIZCTEOSA-N -1 0 332.444 3.527 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN1C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC000902696415 969556702 /nfs/dbraw/zinc/55/67/02/969556702.db2.gz JVOYHGHRIFBPRT-QWUACUGRSA-N -1 0 325.364 3.529 20 0 EHADRM COc1cccc([C@@H](C)CCCC(=O)NCCC(C)(C)C(=O)[O-])c1 ZINC000909755051 969628914 /nfs/dbraw/zinc/62/89/14/969628914.db2.gz BMIZAAHEXZMDRM-AWEZNQCLSA-N -1 0 335.444 3.586 20 0 EHADRM C[C@@H](C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21)c1ccc(F)c(F)c1 ZINC001348551761 969766757 /nfs/dbraw/zinc/76/67/57/969766757.db2.gz VJLGDBFENDKANB-RISCZKNCSA-N -1 0 345.345 3.673 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)c1ccccc1OC(F)F ZINC000317957957 970400268 /nfs/dbraw/zinc/40/02/68/970400268.db2.gz UCOSMLQXCBYBQQ-UHFFFAOYSA-N -1 0 327.308 3.608 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000318748332 970468024 /nfs/dbraw/zinc/46/80/24/970468024.db2.gz UJPOYMRGRAUWJE-UHFFFAOYSA-N -1 0 340.744 3.569 20 0 EHADRM CC[C@@H]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC000318801049 970474800 /nfs/dbraw/zinc/47/48/00/970474800.db2.gz MOYQTGCAXHWJEJ-SNVBAGLBSA-N -1 0 326.780 3.963 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)c1ccc(Cl)cc1F ZINC000318883900 970485621 /nfs/dbraw/zinc/48/56/21/970485621.db2.gz MWPDZQQXKOYVSJ-CQSZACIVSA-N -1 0 327.783 3.633 20 0 EHADRM C[C@@H]1CCN(C(=O)CCc2ccc(Cl)cc2Cl)[C@@H](C(=O)[O-])C1 ZINC000319081109 970502293 /nfs/dbraw/zinc/50/22/93/970502293.db2.gz BPPULMSRNBYAQX-QMTHXVAHSA-N -1 0 344.238 3.638 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](c2nc(Cc3c(Cl)cccc3Cl)no2)C1 ZINC000319308586 970523966 /nfs/dbraw/zinc/52/39/66/970523966.db2.gz MCHGAFJTXYHZSZ-DTWKUNHWSA-N -1 0 341.194 3.936 20 0 EHADRM C[C@@H](SCC(=O)[O-])c1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC001610003170 970635079 /nfs/dbraw/zinc/63/50/79/970635079.db2.gz CKFAJJWHSJKDQR-SECBINFHSA-N -1 0 346.433 3.943 20 0 EHADRM CN(Cc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000320248575 970636817 /nfs/dbraw/zinc/63/68/17/970636817.db2.gz BEWYJNYRWIKCDA-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000320276033 970641410 /nfs/dbraw/zinc/64/14/10/970641410.db2.gz VDRWLMPOJQHDKQ-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM CSc1cccc(NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000320401133 970659712 /nfs/dbraw/zinc/65/97/12/970659712.db2.gz VTPDPXYBYZLNAU-UHFFFAOYSA-N -1 0 330.409 3.771 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)s1 ZINC000320583825 970681885 /nfs/dbraw/zinc/68/18/85/970681885.db2.gz VSUSUIHRSCRSQU-LBPRGKRZSA-N -1 0 332.425 3.657 20 0 EHADRM CCC1CCC(NC(=O)CSc2ccc(C)cc2)(C(=O)[O-])CC1 ZINC000320670032 970694800 /nfs/dbraw/zinc/69/48/00/970694800.db2.gz MYNDTUUTDKGKAY-UHFFFAOYSA-N -1 0 335.469 3.627 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@@H]2C[C@H]2c2ccccc2)ccc1Cl ZINC000320903484 970727932 /nfs/dbraw/zinc/72/79/32/970727932.db2.gz UNSIPMMGFKIDKR-SWLSCSKDSA-N -1 0 330.771 3.716 20 0 EHADRM O=C([O-])c1ccc(Cl)cc1OCc1nnc(-c2ccccc2)o1 ZINC000320948965 970731712 /nfs/dbraw/zinc/73/17/12/970731712.db2.gz FQRAQOAVHNIJRA-UHFFFAOYSA-N -1 0 330.727 3.667 20 0 EHADRM CN(CCC(=O)[O-])c1nc(-c2cccc(Cl)c2)nc2c1CCCC2 ZINC001604150735 972557554 /nfs/dbraw/zinc/55/75/54/972557554.db2.gz DAPHGWSQNGKPFD-UHFFFAOYSA-N -1 0 345.830 3.587 20 0 EHADRM C[C@@H](NC(=O)Nc1ccccc1Oc1ccccc1Cl)C(=O)[O-] ZINC001604989110 972580853 /nfs/dbraw/zinc/58/08/53/972580853.db2.gz NVEPZMDEOWXHCP-SNVBAGLBSA-N -1 0 334.759 3.727 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCC1CCC(c2ccccc2)CC1 ZINC001603320442 972635154 /nfs/dbraw/zinc/63/51/54/972635154.db2.gz GVNYRVTVKYOGGS-SGHGTVFPSA-N -1 0 329.440 3.578 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC001603321581 972642803 /nfs/dbraw/zinc/64/28/03/972642803.db2.gz UQOFUUJVIDWTCG-IBGZPJMESA-N -1 0 330.428 3.506 20 0 EHADRM C[C@H](Oc1ccc(Cl)cc1)C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001605053745 972668214 /nfs/dbraw/zinc/66/82/14/972668214.db2.gz QIMSGCKFZYXDHM-NSHDSACASA-N -1 0 334.755 3.549 20 0 EHADRM C[C@]1(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)C[C@@H]1c1ccccc1 ZINC001605062753 972674435 /nfs/dbraw/zinc/67/44/35/972674435.db2.gz FWTJWAZGWYQATB-WIRSXHRWSA-N -1 0 335.403 3.610 20 0 EHADRM Cc1c(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cnc2ccccc12 ZINC001605076525 972705574 /nfs/dbraw/zinc/70/55/74/972705574.db2.gz DMSVPAZVQKINCG-VQIMIIECSA-N -1 0 346.386 3.586 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)Nc1cc(C(=O)[O-])n[nH]1 ZINC001605077286 972711294 /nfs/dbraw/zinc/71/12/94/972711294.db2.gz WJUZYPGJMHKWPX-UHFFFAOYSA-N -1 0 335.319 3.568 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1ccc(C(F)(F)F)c(F)c1)C1CCCC1 ZINC001605901446 972736641 /nfs/dbraw/zinc/73/66/41/972736641.db2.gz PVLMHCBWTOJCIM-LBPRGKRZSA-N -1 0 333.281 3.674 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2n[nH]c3c2cccc3Cl)sc1C ZINC000538008365 1032079879 /nfs/dbraw/zinc/07/98/79/1032079879.db2.gz MSJSJNZGDCEIEG-UHFFFAOYSA-N -1 0 341.845 3.695 20 0 EHADRM CC(C)[C@@H]1CCCCN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000395778629 972828591 /nfs/dbraw/zinc/82/85/91/972828591.db2.gz BSLSFAOCDDEECA-LBPRGKRZSA-N -1 0 326.343 3.705 20 0 EHADRM Cc1cc(C)c(CCNC(=O)Nc2ccccc2C(=O)[O-])c(C)c1 ZINC001605146370 972829012 /nfs/dbraw/zinc/82/90/12/972829012.db2.gz LXUUEFXUHYTBQV-UHFFFAOYSA-N -1 0 326.396 3.674 20 0 EHADRM O=C([O-])C1(C(=O)NCCc2ccc(Cl)cc2Cl)CCCCC1 ZINC001605928538 972844708 /nfs/dbraw/zinc/84/47/08/972844708.db2.gz IZIDXKRAZUZPGX-UHFFFAOYSA-N -1 0 344.238 3.687 20 0 EHADRM COCc1ccc(NC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cc1 ZINC000396354742 972863980 /nfs/dbraw/zinc/86/39/80/972863980.db2.gz FZATXEGJBMXOTG-LBPRGKRZSA-N -1 0 328.368 3.665 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)s1 ZINC000396426238 972880899 /nfs/dbraw/zinc/88/08/99/972880899.db2.gz GSXMNAAJIGKBHH-DGCLKSJQSA-N -1 0 346.452 3.997 20 0 EHADRM Cc1cc(Cl)c(C(=O)Nc2nc3ccccn3c2C(=O)[O-])cc1C ZINC001605173210 972881588 /nfs/dbraw/zinc/88/15/88/972881588.db2.gz LKHVNSBMCRBVAO-UHFFFAOYSA-N -1 0 343.770 3.555 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc3[nH]c(-c4ccccc4)nc3c2)CC=CC1 ZINC001605938433 972885730 /nfs/dbraw/zinc/88/57/30/972885730.db2.gz ZOBYATYQIHDLIG-UHFFFAOYSA-N -1 0 347.374 3.589 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)cc1 ZINC000396515998 972911258 /nfs/dbraw/zinc/91/12/58/972911258.db2.gz TTYGXNFYUDYGEF-ZETCQYMHSA-N -1 0 341.260 3.683 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 ZINC000396607822 972921712 /nfs/dbraw/zinc/92/17/12/972921712.db2.gz GBKMFOKZTQUWKW-LLVKDONJSA-N -1 0 333.771 3.546 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 ZINC001603379963 972943889 /nfs/dbraw/zinc/94/38/89/972943889.db2.gz AXOCSMUVWHILPD-TZMCWYRMSA-N -1 0 346.427 3.632 20 0 EHADRM Cc1ccc(CNC(=O)[C@@H]2CC[C@H]2C(=O)[O-])c(Oc2ccccc2)c1 ZINC001605277539 973068541 /nfs/dbraw/zinc/06/85/41/973068541.db2.gz IKQFJHCUCXJORZ-IAGOWNOFSA-N -1 0 339.391 3.514 20 0 EHADRM Cc1ccc(OCCCCNC(=O)c2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001605301430 973113954 /nfs/dbraw/zinc/11/39/54/973113954.db2.gz KOJLQJKVTAVRRU-UHFFFAOYSA-N -1 0 341.407 3.591 20 0 EHADRM Cc1[nH]nc(NC(=O)c2cccc(C(=O)[O-])c2)c1-c1cccc(C)c1 ZINC001605318447 973147124 /nfs/dbraw/zinc/14/71/24/973147124.db2.gz GPRLUBFCLAEDBO-UHFFFAOYSA-N -1 0 335.363 3.644 20 0 EHADRM CO[C@@H](C(=O)[O-])C(=O)N(c1ccccc1)[C@@H](C)c1ccc(Cl)cc1 ZINC001604419731 973174133 /nfs/dbraw/zinc/17/41/33/973174133.db2.gz BTKHASAOMIZEDI-BLLLJJGKSA-N -1 0 347.798 3.534 20 0 EHADRM C[C@H]1CN(C(=O)C(C)(C)c2cccc3ccccc32)CC[C@H]1C(=O)[O-] ZINC001603440664 973226710 /nfs/dbraw/zinc/22/67/10/973226710.db2.gz ZQTIYDVRMDKCRO-GOEBONIOSA-N -1 0 339.435 3.687 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NC[C@H]2CC3CCC2CC3)cc1 ZINC000400107517 973251653 /nfs/dbraw/zinc/25/16/53/973251653.db2.gz IWNDSHSJQWPQMU-YMAMQOFZSA-N -1 0 344.455 3.997 20 0 EHADRM Cc1ccccc1C(F)(F)C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001605351040 973254142 /nfs/dbraw/zinc/25/41/42/973254142.db2.gz LJFNUGKGUXKRFF-ZBFHGGJFSA-N -1 0 345.345 3.516 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)Cc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000400439740 973278195 /nfs/dbraw/zinc/27/81/95/973278195.db2.gz KJZOYWZEFNDLCA-TVQRCGJNSA-N -1 0 332.227 3.542 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)CCSc1ccc(Cl)cc1)C(=O)[O-] ZINC000400498836 973290849 /nfs/dbraw/zinc/29/08/49/973290849.db2.gz MOJLUMIAEYEQKI-BXUZGUMPSA-N -1 0 343.876 3.828 20 0 EHADRM CC(C)=CCC[C@H](C)CC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000400756715 973312721 /nfs/dbraw/zinc/31/27/21/973312721.db2.gz GDEOJGXSEGYMDR-HNAYVOBHSA-N -1 0 329.440 3.970 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1ccc(F)cc1C(F)(F)F ZINC001606118893 973360171 /nfs/dbraw/zinc/36/01/71/973360171.db2.gz XAJFMNVWHJCBDS-NSHDSACASA-N -1 0 347.308 3.704 20 0 EHADRM C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001603482664 973395830 /nfs/dbraw/zinc/39/58/30/973395830.db2.gz PXZILVBMBUBXFH-FBIMIBRVSA-N -1 0 342.222 3.550 20 0 EHADRM CC[C@@H](C(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1)c1ccc(F)cc1 ZINC001603488726 973421474 /nfs/dbraw/zinc/42/14/74/973421474.db2.gz RBOWBXHFUDYTKK-IAGOWNOFSA-N -1 0 329.371 3.570 20 0 EHADRM CC[C@@H](C(=O)N[C@H](C(=O)[O-])c1cccc(C)c1)c1ccc(F)cc1 ZINC001603488729 973421789 /nfs/dbraw/zinc/42/17/89/973421789.db2.gz RBOWBXHFUDYTKK-SJORKVTESA-N -1 0 329.371 3.570 20 0 EHADRM O=C([O-])CCCNC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC001606178067 973423998 /nfs/dbraw/zinc/42/39/98/973423998.db2.gz MGUCWBAGGMPFMO-KRWDZBQOSA-N -1 0 346.814 3.593 20 0 EHADRM CC[C@@H](CC(F)(F)F)C(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC000402537780 973620992 /nfs/dbraw/zinc/62/09/92/973620992.db2.gz YVGCUPYLLKPVCN-JTQLQIEISA-N -1 0 329.318 3.643 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)Nc1cc(F)c(F)cc1F ZINC000403084643 973660399 /nfs/dbraw/zinc/66/03/99/973660399.db2.gz PNCYWDZEPVZUHX-UHFFFAOYSA-N -1 0 332.322 3.651 20 0 EHADRM N#Cc1ccc(CNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])cc1F ZINC000404192204 973706836 /nfs/dbraw/zinc/70/68/36/973706836.db2.gz LRWPCENFBPMALP-UHFFFAOYSA-N -1 0 349.705 3.569 20 0 EHADRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)CCc1ccc(Cl)cc1Cl ZINC000405240854 973797763 /nfs/dbraw/zinc/79/77/63/973797763.db2.gz BRTPPKBACKARBB-SMDDNHRTSA-N -1 0 344.238 3.686 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1 ZINC001603593758 973808784 /nfs/dbraw/zinc/80/87/84/973808784.db2.gz NJNBLJTWHMLQEU-NRSFXHEJSA-N -1 0 347.455 3.611 20 0 EHADRM O=C([O-])[C@H](CNC(=O)Nc1cc(Cl)ccc1Cl)CC1CC1 ZINC000405335481 973833943 /nfs/dbraw/zinc/83/39/43/973833943.db2.gz YYSXSALGKFGIAK-VIFPVBQESA-N -1 0 331.199 3.616 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc(C)sc2-n2cccc2)C1 ZINC001603601181 973849309 /nfs/dbraw/zinc/84/93/09/973849309.db2.gz GQQKIZDSVKOXNR-SFHVURJKSA-N -1 0 346.452 3.564 20 0 EHADRM O=C([O-])[C@H]1CC12CCN(C(=O)Nc1cccc3ccsc31)CC2 ZINC000405448292 973883253 /nfs/dbraw/zinc/88/32/53/973883253.db2.gz NSFZWLPVTACSLI-GFCCVEGCSA-N -1 0 330.409 3.620 20 0 EHADRM CC[C@H]1CCCc2sc(NC(=O)N[C@H](CC(C)C)C(=O)[O-])nc21 ZINC001603619541 973914938 /nfs/dbraw/zinc/91/49/38/973914938.db2.gz BDAMMFDSZHFOOH-WDEREUQCSA-N -1 0 339.461 3.594 20 0 EHADRM CC[C@@H]1CCc2c(sc(NC(=O)c3cc(C)on3)c2C(=O)[O-])C1 ZINC001603624194 973924401 /nfs/dbraw/zinc/92/44/01/973924401.db2.gz AUWONGOJMMSUAW-SECBINFHSA-N -1 0 334.397 3.510 20 0 EHADRM O=C([O-])c1ccc(Br)c(NC(=O)[C@H]2CC23CCCC3)c1 ZINC001606465637 973931152 /nfs/dbraw/zinc/93/11/52/973931152.db2.gz FIKUYVURNZZYTQ-SNVBAGLBSA-N -1 0 338.201 3.666 20 0 EHADRM CC[C@@H]1CCc2c(sc(NC(=O)c3conc3C)c2C(=O)[O-])C1 ZINC001603624970 973933962 /nfs/dbraw/zinc/93/39/62/973933962.db2.gz ROAYZNVXLUVDSG-SECBINFHSA-N -1 0 334.397 3.510 20 0 EHADRM O=C([O-])CCCCCNC(=O)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000414606130 973941590 /nfs/dbraw/zinc/94/15/90/973941590.db2.gz DDIQFECQYZAKQU-DLBZAZTESA-N -1 0 332.444 3.657 20 0 EHADRM CCN(Cc1cccc(Cl)c1)C(=O)NCCCCCC(=O)[O-] ZINC000414631310 973943845 /nfs/dbraw/zinc/94/38/45/973943845.db2.gz VVJNLGWOMYYEEB-UHFFFAOYSA-N -1 0 326.824 3.517 20 0 EHADRM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)NCCCCCC(=O)[O-] ZINC000414630936 973943871 /nfs/dbraw/zinc/94/38/71/973943871.db2.gz VIQKABRJXFIZLG-UHFFFAOYSA-N -1 0 347.242 3.780 20 0 EHADRM C[C@H](C(=O)[O-])[N@H+](C)Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000414689351 973948739 /nfs/dbraw/zinc/94/87/39/973948739.db2.gz ZVIMTBYBHKUHRK-SNVBAGLBSA-N -1 0 327.302 3.870 20 0 EHADRM CCC[C@@H](CCc1ccccc1)NC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC001603633457 973960295 /nfs/dbraw/zinc/96/02/95/973960295.db2.gz BXIZGQYFIKQALE-PXNSSMCTSA-N -1 0 329.440 3.715 20 0 EHADRM C[C@H](Cc1ccc(NCc2cncc(Br)c2)cc1)C(=O)[O-] ZINC000417613301 973965362 /nfs/dbraw/zinc/96/53/62/973965362.db2.gz SKLXXEGYUGPFPQ-LLVKDONJSA-N -1 0 349.228 3.719 20 0 EHADRM CCC[C@H]1CCc2nc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)sc2C1 ZINC001603636067 973972792 /nfs/dbraw/zinc/97/27/92/973972792.db2.gz NPIYHIAPZRKHBR-GWCFXTLKSA-N -1 0 338.473 3.734 20 0 EHADRM COc1ccc([C@@H](NC(=O)c2cc(C)cc(C(=O)[O-])c2)C2CC2)cc1 ZINC001604772367 973991830 /nfs/dbraw/zinc/99/18/30/973991830.db2.gz ISLJTVKSFNKFBF-SFHVURJKSA-N -1 0 339.391 3.583 20 0 EHADRM CCCCN(C)c1ccc(C(=O)NCC(CC)(CC)C(=O)[O-])cc1 ZINC001603647316 974003971 /nfs/dbraw/zinc/00/39/71/974003971.db2.gz FOIDRNBSAJOOKW-UHFFFAOYSA-N -1 0 334.460 3.544 20 0 EHADRM CCCCOc1cccc(NC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC001603652668 974017086 /nfs/dbraw/zinc/01/70/86/974017086.db2.gz ZVIVLNNXLRJNRE-KBPBESRZSA-N -1 0 334.416 3.583 20 0 EHADRM CCC(CC)(CNC(=O)c1ccc(-c2csc(C)n2)cc1)C(=O)[O-] ZINC000424256418 974022434 /nfs/dbraw/zinc/02/24/34/974022434.db2.gz VPWJJPLRDAAOSX-UHFFFAOYSA-N -1 0 346.452 3.739 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc(C)c(-c2ncco2)c1)C(=O)[O-] ZINC000424389020 974024533 /nfs/dbraw/zinc/02/45/33/974024533.db2.gz ZZUONZRSZPAHTA-UHFFFAOYSA-N -1 0 345.399 3.663 20 0 EHADRM COc1cc(Cl)c(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc1C ZINC000424393735 974026954 /nfs/dbraw/zinc/02/69/54/974026954.db2.gz XDLZWFRINFPXFN-LLVKDONJSA-N -1 0 342.823 3.525 20 0 EHADRM CC(C)(CCNC(=O)N1CCC[C@H]1c1ccc(Cl)cc1)C(=O)[O-] ZINC000424397821 974028594 /nfs/dbraw/zinc/02/85/94/974028594.db2.gz LNOGYHNEHNNLMZ-AWEZNQCLSA-N -1 0 338.835 3.687 20 0 EHADRM CC(C)(CCNC(=O)N1CC2(CCCC2)[C@H]1c1ccccc1)C(=O)[O-] ZINC000424403209 974029936 /nfs/dbraw/zinc/02/99/36/974029936.db2.gz IYYRCCBPGNTPJW-MRXNPFEDSA-N -1 0 344.455 3.814 20 0 EHADRM CCC(CC)(CNC(=O)N(C)Cc1ccc(F)c(Cl)c1)C(=O)[O-] ZINC000424435431 974033421 /nfs/dbraw/zinc/03/34/21/974033421.db2.gz VHIOUZJTZIPIGD-UHFFFAOYSA-N -1 0 344.814 3.512 20 0 EHADRM CC[C@@H](NC(=O)c1s[n-]c(=O)c1Cl)c1ccc(F)cc1F ZINC000339285672 1014160181 /nfs/dbraw/zinc/16/01/81/1014160181.db2.gz WJSDHOOIWONPSO-SECBINFHSA-N -1 0 332.759 3.661 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CCC[C@@H](F)C1)c1ccc(Cl)cc1 ZINC000425238793 974039216 /nfs/dbraw/zinc/03/92/16/974039216.db2.gz JSTWLCLLQVIXSE-BNOWGMLFSA-N -1 0 327.783 3.500 20 0 EHADRM O=C([O-])c1cccnc1NC(=O)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC001606529119 974044578 /nfs/dbraw/zinc/04/45/78/974044578.db2.gz ZHNJCBMKOYQJTO-ZYHUDNBSSA-N -1 0 348.761 3.705 20 0 EHADRM O=C([O-])c1coc(CNCc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000426713134 974046049 /nfs/dbraw/zinc/04/60/49/974046049.db2.gz BSKBBUFQOJOMLJ-UHFFFAOYSA-N -1 0 333.693 3.940 20 0 EHADRM O=C([O-])[C@H](NCc1cccc(OCC(F)(F)F)c1)c1ccsc1 ZINC000426794997 974047152 /nfs/dbraw/zinc/04/71/52/974047152.db2.gz WLDFCMLEQSPROH-CYBMUJFWSA-N -1 0 345.342 3.605 20 0 EHADRM CCCN(Cc1ccc(F)cc1F)C(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001603672521 974049466 /nfs/dbraw/zinc/04/94/66/974049466.db2.gz IWWBWZQCXKFTSZ-INIZCTEOSA-N -1 0 339.382 3.594 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)Nc2ccc(F)cc2-n2cccc2)o1 ZINC001605668086 974069517 /nfs/dbraw/zinc/06/95/17/974069517.db2.gz NQQRCHCOBCJGOD-VMPITWQZSA-N -1 0 340.310 3.560 20 0 EHADRM Cc1cc(Cl)cc(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000432104742 974086344 /nfs/dbraw/zinc/08/63/44/974086344.db2.gz AKIRFWQTUSKCNJ-KRWDZBQOSA-N -1 0 345.826 3.854 20 0 EHADRM COc1ccc2cc([C@H](C)OC(=O)[C@H](C(=O)[O-])C3CC3)ccc2c1 ZINC001604850913 974090218 /nfs/dbraw/zinc/09/02/18/974090218.db2.gz DBHUYBQXPIYGQV-GTNSWQLSSA-N -1 0 328.364 3.563 20 0 EHADRM COc1ccc2cc(NC(=O)C3(C(=O)[O-])CCCCCC3)ccc2n1 ZINC001604851473 974091677 /nfs/dbraw/zinc/09/16/77/974091677.db2.gz PJVJSWPNFLZWFV-UHFFFAOYSA-N -1 0 342.395 3.607 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)Nc2ccc(CC(F)(F)F)cc2)CC1 ZINC000435721738 974097687 /nfs/dbraw/zinc/09/76/87/974097687.db2.gz JVRMKJVGFZNLOO-HAQNSBGRSA-N -1 0 329.318 3.621 20 0 EHADRM C[C@H](C(=O)Nc1cccc(CSCC(=O)[O-])c1)c1ccccc1 ZINC000439932652 974112971 /nfs/dbraw/zinc/11/29/71/974112971.db2.gz MJQBBLNQMGZGKY-ZDUSSCGKSA-N -1 0 329.421 3.747 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)CCCCC(=O)c2ccccc2)C1 ZINC000449138675 974145537 /nfs/dbraw/zinc/14/55/37/974145537.db2.gz ISWHEVCTBPEXRP-INIZCTEOSA-N -1 0 345.439 3.533 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000450522575 974147284 /nfs/dbraw/zinc/14/72/84/974147284.db2.gz YGZVIWGZORPOTG-IFXJQAMLSA-N -1 0 328.412 3.548 20 0 EHADRM Cc1nn(-c2ccccc2)cc1C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000471986599 974197674 /nfs/dbraw/zinc/19/76/74/974197674.db2.gz YFZSBKKMXIQDDU-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)Cc1ccccc1OC(F)F ZINC000471993459 974199172 /nfs/dbraw/zinc/19/91/72/974199172.db2.gz UXVNPGDNSJBJJW-UHFFFAOYSA-N -1 0 349.333 3.784 20 0 EHADRM CC(C)OCc1cccc(NC(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000478850010 974211857 /nfs/dbraw/zinc/21/18/57/974211857.db2.gz CYEGMRNQPFDWAX-UHFFFAOYSA-N -1 0 331.343 3.701 20 0 EHADRM CC[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000478855204 974212907 /nfs/dbraw/zinc/21/29/07/974212907.db2.gz LWKDUCXECFXNBH-ZDUSSCGKSA-N -1 0 329.371 3.965 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)/C=C\c1ccsc1)C(=O)[O-] ZINC000492115067 974257124 /nfs/dbraw/zinc/25/71/24/974257124.db2.gz DBASZVPWRRFDHS-DANTVBBOSA-N -1 0 329.421 3.511 20 0 EHADRM CCOC(=O)c1cccc(SCCOc2ccccc2C(=O)[O-])c1 ZINC001603814944 974293241 /nfs/dbraw/zinc/29/32/41/974293241.db2.gz UOUWQCFIUOBQET-UHFFFAOYSA-N -1 0 346.404 3.733 20 0 EHADRM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000514877384 974294358 /nfs/dbraw/zinc/29/43/58/974294358.db2.gz TUAKBWOMDRLSMW-QGPMSJSTSA-N -1 0 347.455 3.874 20 0 EHADRM Cc1ccc(C(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)cc1Cl ZINC000516297271 974306184 /nfs/dbraw/zinc/30/61/84/974306184.db2.gz UTONNJIPYMFHCT-UHFFFAOYSA-N -1 0 344.798 3.549 20 0 EHADRM Cc1cc([C@@H](C)N2CCO[C@H](c3ccc(F)c(C)c3)C2)oc1C(=O)[O-] ZINC000516481710 974307049 /nfs/dbraw/zinc/30/70/49/974307049.db2.gz LDCBFBHWAHDWJE-DYVFJYSZSA-N -1 0 347.386 3.868 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000516929737 974311662 /nfs/dbraw/zinc/31/16/62/974311662.db2.gz MUPKOCYQAMFDHW-LJQANCHMSA-N -1 0 343.810 3.517 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)CC1CCC(C(F)(F)F)CC1)C(=O)[O-] ZINC000518774735 974325267 /nfs/dbraw/zinc/32/52/67/974325267.db2.gz CYIRNAVWYKGCFO-IKWCTNDRSA-N -1 0 337.382 3.751 20 0 EHADRM C[C@H]1c2c(Cl)cc(Cl)cc2CCN1c1ccc(C(=O)[O-])nn1 ZINC000521629543 974345831 /nfs/dbraw/zinc/34/58/31/974345831.db2.gz PPLUXDCZTGAFDZ-QMMMGPOBSA-N -1 0 338.194 3.605 20 0 EHADRM CN(CCc1cccc2ccccc21)C(=O)Cc1ccccc1C(=O)[O-] ZINC000537474701 974384603 /nfs/dbraw/zinc/38/46/03/974384603.db2.gz RERXIJMALYFULK-UHFFFAOYSA-N -1 0 347.414 3.782 20 0 EHADRM CCCn1ccc2cc(NC(=O)Cc3cccc(C(=O)[O-])c3)ccc21 ZINC000538577626 974391892 /nfs/dbraw/zinc/39/18/92/974391892.db2.gz COLZEHFCRFXVSX-UHFFFAOYSA-N -1 0 336.391 3.931 20 0 EHADRM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(C)cc2C(=O)[O-])cc1 ZINC000544407091 974420735 /nfs/dbraw/zinc/42/07/35/974420735.db2.gz HSVSGCQGZUQMEE-LBPRGKRZSA-N -1 0 345.420 3.821 20 0 EHADRM CCn1c2ccccc2c2cc(CN(C)C(=O)CCC(=O)[O-])ccc21 ZINC001604006887 974511626 /nfs/dbraw/zinc/51/16/26/974511626.db2.gz QHRKOQHYKJBKSQ-UHFFFAOYSA-N -1 0 338.407 3.638 20 0 EHADRM C[C@@H](NC(=O)c1cccc(C2CC2)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000563425003 974531123 /nfs/dbraw/zinc/53/11/23/974531123.db2.gz UQAFHBGKOCLDCZ-AUUYWEPGSA-N -1 0 337.419 3.626 20 0 EHADRM Cc1ccc(-c2nc(CN(C)Cc3cc(C(=O)[O-])c(C)o3)cs2)o1 ZINC000565107409 974572916 /nfs/dbraw/zinc/57/29/16/974572916.db2.gz YKNZTJYZJBOUJA-UHFFFAOYSA-N -1 0 346.408 3.943 20 0 EHADRM Cc1ccc(-c2nc(CN(C3CC3)C3(C(=O)[O-])CCC3)cs2)o1 ZINC000565253230 974578297 /nfs/dbraw/zinc/57/82/97/974578297.db2.gz HMOOZISCCJRSHV-UHFFFAOYSA-N -1 0 332.425 3.683 20 0 EHADRM CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000568284293 974665388 /nfs/dbraw/zinc/66/53/88/974665388.db2.gz BKVNBZWHOAMDIH-YOEHRIQHSA-N -1 0 333.428 3.926 20 0 EHADRM O=C([O-])[C@@H](c1ccsc1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000568416196 974671356 /nfs/dbraw/zinc/67/13/56/974671356.db2.gz PPFYKFQCKNTUHY-HUUCEWRRSA-N -1 0 337.828 3.601 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000569384070 974691052 /nfs/dbraw/zinc/69/10/52/974691052.db2.gz JJDRXPSIHQPCOR-OXJNMPFZSA-N -1 0 331.456 3.752 20 0 EHADRM CC(C)Nc1ccc(Cl)cc1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000570292255 974708907 /nfs/dbraw/zinc/70/89/07/974708907.db2.gz IMCGHYGWJUTOFJ-RYUDHWBXSA-N -1 0 338.835 3.990 20 0 EHADRM Cc1cc(O[C@@H](C)C(=O)Nc2cc(C(=O)[O-])cs2)ccc1Cl ZINC000572556114 974750015 /nfs/dbraw/zinc/75/00/15/974750015.db2.gz MGLXCDWGCNOTBT-VIFPVBQESA-N -1 0 339.800 3.814 20 0 EHADRM Cc1ccc(C(N)=O)c(Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1 ZINC001211487840 1014214958 /nfs/dbraw/zinc/21/49/58/1014214958.db2.gz RPDXAZIQHWIESL-UHFFFAOYSA-N -1 0 338.285 3.555 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@@H]2CCCc3ccccc32)cc1C ZINC000107963398 1014218643 /nfs/dbraw/zinc/21/86/43/1014218643.db2.gz AJGCALHRNFTCMT-NTKDMRAZSA-N -1 0 341.476 3.605 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CN1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000577737497 974841714 /nfs/dbraw/zinc/84/17/14/974841714.db2.gz UQQDQFACETVTIV-WBMJQRKESA-N -1 0 331.437 3.717 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Nc2ccc(C)cc2C(=O)[O-])cc1 ZINC000578469247 974855582 /nfs/dbraw/zinc/85/55/82/974855582.db2.gz BOPRAENUAOXMQM-ZDUSSCGKSA-N -1 0 327.380 3.834 20 0 EHADRM CC(C)COc1ccc(CN[C@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC000578867745 974863454 /nfs/dbraw/zinc/86/34/54/974863454.db2.gz BBALSUATCPGHIG-GFCCVEGCSA-N -1 0 334.441 3.727 20 0 EHADRM Cc1ccc(-c2cnc(CN(C3CC3)C3(C(=O)[O-])CCC3)o2)cc1 ZINC000582797548 974932189 /nfs/dbraw/zinc/93/21/89/974932189.db2.gz SZWHRJWWFNSSDH-UHFFFAOYSA-N -1 0 326.396 3.622 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CC(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000583418389 974940702 /nfs/dbraw/zinc/94/07/02/974940702.db2.gz CMPSOAXMFAZEFN-KBAYOESNSA-N -1 0 331.456 3.795 20 0 EHADRM Cc1cc2c(ncnc2Nc2ccc(OCCC(=O)[O-])cc2)s1 ZINC000585952201 974961671 /nfs/dbraw/zinc/96/16/71/974961671.db2.gz BTQJPCOAIFULNZ-UHFFFAOYSA-N -1 0 329.381 3.597 20 0 EHADRM CC(C)CN(Cc1ccccc1)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000621541081 975029484 /nfs/dbraw/zinc/02/94/84/975029484.db2.gz SFYOASAVODROEB-UHFFFAOYSA-N -1 0 325.408 3.612 20 0 EHADRM C[C@@H](NC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1)c1ncc(C(=O)[O-])s1 ZINC000621610640 975059136 /nfs/dbraw/zinc/05/91/36/975059136.db2.gz NAJGVEWUTGHLCW-IJLUTSLNSA-N -1 0 338.473 3.871 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000621611461 975060602 /nfs/dbraw/zinc/06/06/02/975060602.db2.gz CVUMCVYDNGYXFZ-CHWSQXEVSA-N -1 0 346.452 3.678 20 0 EHADRM Cc1ccc(C)c(S([O-])=CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)c1 ZINC000107966171 1014233824 /nfs/dbraw/zinc/23/38/24/1014233824.db2.gz YISVTYKXGTWTNS-XDHUDOTRSA-N -1 0 343.492 3.905 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000630097694 975099583 /nfs/dbraw/zinc/09/95/83/975099583.db2.gz LGRVFYYQZKTIJJ-RTBURBONSA-N -1 0 337.419 3.627 20 0 EHADRM CCC[C@H](C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000630100285 975101345 /nfs/dbraw/zinc/10/13/45/975101345.db2.gz GIVZYWDISPFETD-HOTGVXAUSA-N -1 0 349.858 3.937 20 0 EHADRM Cc1ccc(CO[C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000630133659 975118427 /nfs/dbraw/zinc/11/84/27/975118427.db2.gz ZZMJWAQERADHLA-AWEZNQCLSA-N -1 0 327.380 3.545 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)C1(c2ccc(Cl)cc2Cl)CCCC1 ZINC000630133859 975118564 /nfs/dbraw/zinc/11/85/64/975118564.db2.gz XVHVTPQQFCZOSH-SNVBAGLBSA-N -1 0 344.238 3.785 20 0 EHADRM Cc1cc(C)c(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)s1 ZINC000630164425 975138705 /nfs/dbraw/zinc/13/87/05/975138705.db2.gz WDZOODHYLYPRDQ-OAHLLOKOSA-N -1 0 331.437 3.571 20 0 EHADRM COc1ccccc1[C@H](CC(C)C)NC(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000630183298 975146241 /nfs/dbraw/zinc/14/62/41/975146241.db2.gz MGUCPLRLAPWLKB-AWEZNQCLSA-N -1 0 345.395 3.812 20 0 EHADRM O=C([O-])CCCCC(=O)N(Cc1ccc(F)cc1Cl)CC1CC1 ZINC000630228881 975176921 /nfs/dbraw/zinc/17/69/21/975176921.db2.gz OJRBKXZJDSOCAD-UHFFFAOYSA-N -1 0 341.810 3.863 20 0 EHADRM O=C([O-])c1c[nH]c2cc(NC(=O)C3(c4cccnc4)CCCC3)ccc12 ZINC000630235023 975181330 /nfs/dbraw/zinc/18/13/30/975181330.db2.gz YAMBGRBBUZTDKX-UHFFFAOYSA-N -1 0 349.390 3.712 20 0 EHADRM O=C([O-])c1ccc(F)c2c1CN(C(=O)C1CC3(C1)CCCCC3)CC2 ZINC000630243389 975189259 /nfs/dbraw/zinc/18/92/59/975189259.db2.gz YHMJQMYVEKTWFE-UHFFFAOYSA-N -1 0 345.414 3.769 20 0 EHADRM CC[C@H](C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1)c1ccccc1 ZINC000630260146 975204075 /nfs/dbraw/zinc/20/40/75/975204075.db2.gz UEEMPRQOCUCINB-DOMZBBRYSA-N -1 0 345.370 3.810 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)cc1F)C(=O)[O-] ZINC000630260578 975204502 /nfs/dbraw/zinc/20/45/02/975204502.db2.gz KWTKHHWYWGPJLB-GMXVVIOVSA-N -1 0 337.391 3.688 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)C1CCCCC1 ZINC000630267696 975211260 /nfs/dbraw/zinc/21/12/60/975211260.db2.gz QZNIWTAKSRWNAQ-RDBSUJKOSA-N -1 0 349.393 3.752 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N3CC[C@H](C(=O)[O-])[C@H]4CCC[C@@H]43)cc2c1C ZINC000630279710 975224531 /nfs/dbraw/zinc/22/45/31/975224531.db2.gz KIOVBWFNLAPVAI-GLJUWKHASA-N -1 0 340.423 3.500 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C3CCC3)CC2)[C@@H]2CCC[C@@H]21 ZINC000630284572 975228853 /nfs/dbraw/zinc/22/88/53/975228853.db2.gz NUWYUFJVTCUNII-DUQPFJRNSA-N -1 0 333.472 3.695 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC000630284832 975229556 /nfs/dbraw/zinc/22/95/56/975229556.db2.gz MGWDRWAQFXTAPE-YSHGAJCASA-N -1 0 343.467 3.747 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2ccc(COC(C)C)cc2)c1 ZINC000630290222 975233008 /nfs/dbraw/zinc/23/30/08/975233008.db2.gz KLDLUFYKOIPLDL-UHFFFAOYSA-N -1 0 327.380 3.871 20 0 EHADRM CC[C@H](CSc1ccccc1)NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000630296604 975236229 /nfs/dbraw/zinc/23/62/29/975236229.db2.gz FVVFLDSNMKRHHE-RBSFLKMASA-N -1 0 335.469 3.565 20 0 EHADRM O=C([O-])c1ccccc1-c1ccccc1C(=O)N1CC[C@@H](C2CC2)C1 ZINC000630298071 975237878 /nfs/dbraw/zinc/23/78/78/975237878.db2.gz MATFZGGXNCBNBG-OAHLLOKOSA-N -1 0 335.403 3.924 20 0 EHADRM Cc1ccc(CN(C)C(=O)CCc2ccccc2C(=O)[O-])cc1C ZINC000630303174 975240546 /nfs/dbraw/zinc/24/05/46/975240546.db2.gz RCEOSTYWRTWWMA-UHFFFAOYSA-N -1 0 325.408 3.593 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC000630305888 975241360 /nfs/dbraw/zinc/24/13/60/975241360.db2.gz KXDNNEWIKGAFAU-RTBURBONSA-N -1 0 337.419 3.770 20 0 EHADRM Cc1ccc(C)c(S([O-])=CC(=O)N(C)[C@@H](C)c2ccccc2)c1 ZINC000107967300 1014246022 /nfs/dbraw/zinc/24/60/22/1014246022.db2.gz ZILFDPQSPQPZMD-HJPURHCSSA-N -1 0 329.465 3.631 20 0 EHADRM COc1ccc(CNc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c(OC)c1 ZINC000630466596 975266404 /nfs/dbraw/zinc/26/64/04/975266404.db2.gz FBDCSYYYXSVSKS-DLBZAZTESA-N -1 0 327.380 3.504 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cccc(OC3CCCC3)c2)CC[C@H]1C(=O)[O-] ZINC000630556883 975267052 /nfs/dbraw/zinc/26/70/52/975267052.db2.gz LXZCEVQSQQGLKJ-SUMWQHHRSA-N -1 0 346.427 3.583 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1cccc(Oc2nccs2)c1 ZINC000634806027 975277677 /nfs/dbraw/zinc/27/76/77/975277677.db2.gz KYFHAAFAYULLFI-AWEZNQCLSA-N -1 0 348.424 3.507 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccccc1COCc1ccccc1 ZINC000634817772 975277778 /nfs/dbraw/zinc/27/77/78/975277778.db2.gz NPZLADRZMGFBTJ-HNNXBMFYSA-N -1 0 341.407 3.843 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)N[C@@H](c2ccccc2F)C2CCCC2)C1 ZINC000646152622 975350657 /nfs/dbraw/zinc/35/06/57/975350657.db2.gz WVOJGMBCRHQBSY-JKIFEVAISA-N -1 0 348.418 3.610 20 0 EHADRM O=C([O-])c1cnc(N2CCC[C@H]2c2ccc3c(c2)OCO3)c(Cl)c1 ZINC000647449811 975362107 /nfs/dbraw/zinc/36/21/07/975362107.db2.gz RZDFEOIICVLUIR-ZDUSSCGKSA-N -1 0 346.770 3.503 20 0 EHADRM CC[C@@H](Nc1ccc(C(=O)[O-])cn1)c1nc(C(F)(F)F)cs1 ZINC000647450839 975363309 /nfs/dbraw/zinc/36/33/09/975363309.db2.gz AFNARCXIZPAPRM-MRVPVSSYSA-N -1 0 331.319 3.818 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000648047805 975380206 /nfs/dbraw/zinc/38/02/06/975380206.db2.gz UJJPTYUBOLXJTJ-GFCCVEGCSA-N -1 0 347.367 3.888 20 0 EHADRM CCCn1c(C(=O)N2CCCC[C@H]2CC(=O)[O-])cc2ccccc21 ZINC000649364961 975408377 /nfs/dbraw/zinc/40/83/77/975408377.db2.gz ZGLFGWIQWFGUDP-HNNXBMFYSA-N -1 0 328.412 3.521 20 0 EHADRM CCCCOc1ccc([C@H](C)Nc2cncc(C(=O)[O-])n2)cc1OC ZINC000649386612 975410920 /nfs/dbraw/zinc/41/09/20/975410920.db2.gz CJBBPFZIQHYNFC-LBPRGKRZSA-N -1 0 345.399 3.535 20 0 EHADRM O=C([O-])c1cncc(N2CCC(Sc3ccc(Cl)cc3)CC2)n1 ZINC000649394628 975413209 /nfs/dbraw/zinc/41/32/09/975413209.db2.gz UMXKFQPGTZLDJR-UHFFFAOYSA-N -1 0 349.843 3.589 20 0 EHADRM CC(C)Nc1ccc(F)cc1NC(=O)c1ccccc1CCC(=O)[O-] ZINC001591671975 975431775 /nfs/dbraw/zinc/43/17/75/975431775.db2.gz HIOMCJOWUZQNRZ-UHFFFAOYSA-N -1 0 344.386 3.916 20 0 EHADRM Cc1c(C(=O)N[C@H](CC(C)(C)C)C(=O)[O-])cccc1-c1ccccn1 ZINC000652079495 975475731 /nfs/dbraw/zinc/47/57/31/975475731.db2.gz HAWCKVZCDGUWAO-QGZVFWFLSA-N -1 0 340.423 3.676 20 0 EHADRM CC(C)O[C@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 ZINC001591686406 975494109 /nfs/dbraw/zinc/49/41/09/975494109.db2.gz LHJITNQLNWIESF-INIZCTEOSA-N -1 0 349.333 3.768 20 0 EHADRM CC(C)O[C@H](C(=O)NC[C@H](CC1CCCC1)C(=O)[O-])c1ccccc1 ZINC001591686637 975498264 /nfs/dbraw/zinc/49/82/64/975498264.db2.gz QSCFXPHYIVGXNZ-ROUUACIJSA-N -1 0 347.455 3.550 20 0 EHADRM CC(C)O[C@@H](c1nc(-c2cccc(C(=O)[O-])c2)no1)c1ccccc1 ZINC001591687161 975500095 /nfs/dbraw/zinc/50/00/95/975500095.db2.gz WMCLGOBAWIQVNU-MRXNPFEDSA-N -1 0 338.363 3.949 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2cc3c(ccc4ccccc34)[nH]2)C[C@H]1C1CC1 ZINC000652124473 975510109 /nfs/dbraw/zinc/51/01/09/975510109.db2.gz GVBQXGHUJBGXMO-DLBZAZTESA-N -1 0 348.402 3.504 20 0 EHADRM CC(C)O[C@@H]1C[C@@H](NC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)C1(C)C ZINC001591695933 975528673 /nfs/dbraw/zinc/52/86/73/975528673.db2.gz NIHCNCBPRCZELG-APHBMKBZSA-N -1 0 348.443 3.588 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N(Cc2ccc(F)cc2)CC2CC2)c1 ZINC000653640937 975607422 /nfs/dbraw/zinc/60/74/22/975607422.db2.gz YMESFNHADTVNGE-UHFFFAOYSA-N -1 0 341.382 3.505 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N2CCCC3(C2)CCCCCC3)c1 ZINC000653641432 975607806 /nfs/dbraw/zinc/60/78/06/975607806.db2.gz GBFZIJWRJQTQTJ-UHFFFAOYSA-N -1 0 329.440 3.890 20 0 EHADRM Cc1cc(CNC(=O)CCCCC(=O)[O-])ccc1-c1ccccc1 ZINC000655542323 975624187 /nfs/dbraw/zinc/62/41/87/975624187.db2.gz MQYJPOWGCMAHOV-UHFFFAOYSA-N -1 0 325.408 3.923 20 0 EHADRM COc1ccc(N(Cc2ccccc2)C(=O)CCCCC(=O)[O-])cc1 ZINC000655551565 975627972 /nfs/dbraw/zinc/62/79/72/975627972.db2.gz BAARUOARJPYRLE-UHFFFAOYSA-N -1 0 341.407 3.873 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)NCc1cccc(Oc2ccccc2)c1 ZINC000656232970 975647465 /nfs/dbraw/zinc/64/74/65/975647465.db2.gz AFSKKXNCYPJVFB-CQSZACIVSA-N -1 0 327.380 3.596 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N1CC=C(c2cccc3ccccc32)CC1 ZINC000656233655 975649308 /nfs/dbraw/zinc/64/93/08/975649308.db2.gz SEIIEPOQGVBHNM-HNNXBMFYSA-N -1 0 337.419 3.956 20 0 EHADRM CSc1c(F)cccc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000656485707 975659555 /nfs/dbraw/zinc/65/95/55/975659555.db2.gz DRZWNEOBVNARHK-UHFFFAOYSA-N -1 0 325.405 3.911 20 0 EHADRM C[C@@]1(C2CC2)CN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CCO1 ZINC000656757409 975684223 /nfs/dbraw/zinc/68/42/23/975684223.db2.gz NDBPVXLSTWEARW-ZBFHGGJFSA-N -1 0 344.238 3.620 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CN1C[C@H](c2cccc(F)c2)OCC1(C)C ZINC000656766030 975698756 /nfs/dbraw/zinc/69/87/56/975698756.db2.gz QOIREEBJCBWJRI-QGZVFWFLSA-N -1 0 347.386 3.777 20 0 EHADRM COc1ccc([C@H]2CCCN2c2nc(C(=O)[O-])c(C)s2)cc1F ZINC000656784168 975707017 /nfs/dbraw/zinc/70/70/17/975707017.db2.gz ZHSYTOBFEWYUHK-GFCCVEGCSA-N -1 0 336.388 3.639 20 0 EHADRM COc1ccc(-c2ccc(SCCCC(=O)[O-])cc2)c(CO)c1 ZINC000657206966 975708453 /nfs/dbraw/zinc/70/84/53/975708453.db2.gz DNFSMYDJIQEJOP-UHFFFAOYSA-N -1 0 332.421 3.811 20 0 EHADRM CC(C)OCc1c2ccccc2oc1C(=O)OC1CC(CC(=O)[O-])C1 ZINC001591731244 975708923 /nfs/dbraw/zinc/70/89/23/975708923.db2.gz RZFQXBSHNUOVSH-UHFFFAOYSA-N -1 0 346.379 3.768 20 0 EHADRM CC(C)C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000659117623 975713446 /nfs/dbraw/zinc/71/34/46/975713446.db2.gz JCEQKEBTLSTLQY-MRXNPFEDSA-N -1 0 337.847 3.793 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC000659120306 975717245 /nfs/dbraw/zinc/71/72/45/975717245.db2.gz PPEIVCUAXGLVHW-ZDUSSCGKSA-N -1 0 341.407 3.954 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@@H](C)CC(C)(C)c1ccccc1 ZINC000659121967 975721522 /nfs/dbraw/zinc/72/15/22/975721522.db2.gz OCIMRQJODVFXAT-LBPRGKRZSA-N -1 0 329.396 3.772 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000659122220 975721964 /nfs/dbraw/zinc/72/19/64/975721964.db2.gz PWTHZKYBMVMDFM-INIZCTEOSA-N -1 0 331.343 3.697 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[C@@H]1CCc1ccccc1 ZINC000659140921 975740512 /nfs/dbraw/zinc/74/05/12/975740512.db2.gz WPVKTDGGUORORD-OAHLLOKOSA-N -1 0 327.380 3.524 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@@H]2CCC[C@H]2Cc2ccccc2)CCCC1 ZINC000659151892 975753045 /nfs/dbraw/zinc/75/30/45/975753045.db2.gz PTQGFKYJJIFWRK-DLBZAZTESA-N -1 0 329.440 3.549 20 0 EHADRM CC(C)Oc1c(NC(=O)/C=C/c2ccsc2)cccc1C(=O)[O-] ZINC001591741515 975755968 /nfs/dbraw/zinc/75/59/68/975755968.db2.gz KETAMZKXORVLQM-VOTSOKGWSA-N -1 0 331.393 3.885 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2)C1 ZINC000659166958 975766009 /nfs/dbraw/zinc/76/60/09/975766009.db2.gz XSRVMIOZZPJVAH-WDEREUQCSA-N -1 0 330.211 3.501 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000659169615 975768642 /nfs/dbraw/zinc/76/86/42/975768642.db2.gz BIKYHAHOEMMVCO-UHFFFAOYSA-N -1 0 344.238 3.769 20 0 EHADRM CC(C)Oc1c(NC(=O)N2CCC(C3CC3)CC2)cccc1C(=O)[O-] ZINC001591744522 975770534 /nfs/dbraw/zinc/77/05/34/975770534.db2.gz OHPGAJGKXOLLNX-UHFFFAOYSA-N -1 0 346.427 3.826 20 0 EHADRM CSc1ccc(C)c(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)c1 ZINC000659190952 975788572 /nfs/dbraw/zinc/78/85/72/975788572.db2.gz BZJCAIXFFSXHBF-VYDXJSESSA-N -1 0 347.480 3.822 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)C2CC3(C2)CCCCC3)[C@H]2CCCC[C@@H]12 ZINC000659192389 975790877 /nfs/dbraw/zinc/79/08/77/975790877.db2.gz NJCVWBXDSBJTGO-BBWFWOEESA-N -1 0 333.472 3.839 20 0 EHADRM Cc1ccc2cc(C(=O)N3CC[C@H](C(=O)[O-])[C@H]4CCCC[C@H]43)[nH]c2c1 ZINC000659196704 975801279 /nfs/dbraw/zinc/80/12/79/975801279.db2.gz XJPMOIKLXODLTF-RVKKMQEKSA-N -1 0 340.423 3.582 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N(Cc2ccccc2F)CC2CC2)cc1 ZINC000659199113 975806168 /nfs/dbraw/zinc/80/61/68/975806168.db2.gz DENIHHVZGXYGKA-UHFFFAOYSA-N -1 0 341.382 3.505 20 0 EHADRM C[C@@H](CC(=O)N[C@](C)(CCF)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000659215470 975827481 /nfs/dbraw/zinc/82/74/81/975827481.db2.gz NFMQAOBIWSOGIA-ZUZCIYMTSA-N -1 0 349.324 3.518 20 0 EHADRM CCC[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)c1ccc(Cl)cc1 ZINC000659224948 975836405 /nfs/dbraw/zinc/83/64/05/975836405.db2.gz AIMVWKLOOJDMDE-KCXAZCMYSA-N -1 0 337.847 3.793 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N[C@]1(C)CC=CCC1 ZINC001591766938 975871917 /nfs/dbraw/zinc/87/19/17/975871917.db2.gz BBSPLNNOFKEWDE-GOSISDBHSA-N -1 0 332.400 3.792 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N[C@@]12C[C@@H]1CCCC2 ZINC001591767083 975874639 /nfs/dbraw/zinc/87/46/39/975874639.db2.gz GIEBCWYDIHAPBA-UGSOOPFHSA-N -1 0 332.400 3.626 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N[C@H]1CCCC[C@H]1C ZINC001591767355 975879564 /nfs/dbraw/zinc/87/95/64/975879564.db2.gz MEOCVVFUBVEDPT-OCCSQVGLSA-N -1 0 334.416 3.872 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N[C@@H]1CCCC[C@@H]1C ZINC001591767353 975879867 /nfs/dbraw/zinc/87/98/67/975879867.db2.gz MEOCVVFUBVEDPT-GXTWGEPZSA-N -1 0 334.416 3.872 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N[C@@H]1CCCC[C@H]1C ZINC001591767356 975880215 /nfs/dbraw/zinc/88/02/15/975880215.db2.gz MEOCVVFUBVEDPT-TZMCWYRMSA-N -1 0 334.416 3.872 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N[C@@H]1CC2CCC1CC2 ZINC001591767592 975883400 /nfs/dbraw/zinc/88/34/00/975883400.db2.gz PWTYIWAVSQAWPD-SSDMNJCBSA-N -1 0 346.427 3.872 20 0 EHADRM O=C([O-])[C@H](c1c(F)cccc1Cl)N1CC[C@@H](Oc2ccccc2)C1 ZINC000659801155 975892552 /nfs/dbraw/zinc/89/25/52/975892552.db2.gz AQYGAXSRQBUMII-DYVFJYSZSA-N -1 0 349.789 3.758 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=S)NC1CCCCC1 ZINC001591771983 975902605 /nfs/dbraw/zinc/90/26/05/975902605.db2.gz UQCCOWRUZFMHLU-UHFFFAOYSA-N -1 0 336.457 3.791 20 0 EHADRM CC(C)Oc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccccc2Cl)cn1 ZINC001591773375 975913924 /nfs/dbraw/zinc/91/39/24/975913924.db2.gz ZIPJZFBFTCUNJQ-HNNXBMFYSA-N -1 0 349.770 3.505 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)c2ccccc21 ZINC000663055221 975923137 /nfs/dbraw/zinc/92/31/37/975923137.db2.gz WLRWLKPZSJVIJQ-UIBIWLFHSA-N -1 0 327.424 3.808 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@H](C)Cc2ccco2)c(C(=O)[O-])c1 ZINC001591781143 975950705 /nfs/dbraw/zinc/95/07/05/975950705.db2.gz UERFFLSCHTUQKP-GFCCVEGCSA-N -1 0 331.368 3.582 20 0 EHADRM Cc1cc(C)cc(CC(=O)N[C@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000668271157 975979290 /nfs/dbraw/zinc/97/92/90/975979290.db2.gz XOKKAFYQVVJKMD-GOSISDBHSA-N -1 0 325.408 3.568 20 0 EHADRM CC[C@](C)(NC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1)C(=O)[O-] ZINC000668270576 975979413 /nfs/dbraw/zinc/97/94/13/975979413.db2.gz KHYWIPFNINYORI-HNNXBMFYSA-N -1 0 331.334 3.510 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N[C@H](C2CCCCC2)C(F)(F)F)c1 ZINC000668301102 975991160 /nfs/dbraw/zinc/99/11/60/975991160.db2.gz DCHNFDUJMGAGTJ-OAHLLOKOSA-N -1 0 343.345 3.555 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1C[C@@H](c2ccc(C)cc2)C[C@@H]1C ZINC000668300546 975991557 /nfs/dbraw/zinc/99/15/57/975991557.db2.gz PZRNLJDWXDWQMJ-WFASDCNBSA-N -1 0 327.380 3.613 20 0 EHADRM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)C2)cc1 ZINC000668300469 975991572 /nfs/dbraw/zinc/99/15/72/975991572.db2.gz OCVDZKIRMLNBKZ-DDBAPUKQSA-N -1 0 329.440 3.590 20 0 EHADRM O=C([O-])c1coc(C(=O)NC2CCC(c3ccc(F)cc3)CC2)c1 ZINC000668314641 975993274 /nfs/dbraw/zinc/99/32/74/975993274.db2.gz UONSHOVYFFGSLH-UHFFFAOYSA-N -1 0 331.343 3.573 20 0 EHADRM Cc1ccc([C@@H]2CCN(C(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)C2)c(C)c1 ZINC000668322545 975997789 /nfs/dbraw/zinc/99/77/89/975997789.db2.gz ZBXPSBQGGDWXDC-YESZJQIVSA-N -1 0 329.440 3.510 20 0 EHADRM CC(C)Oc1cccc(CC(=O)OCc2ccsc2C(=O)[O-])c1 ZINC001591792320 975998387 /nfs/dbraw/zinc/99/83/87/975998387.db2.gz XDKXHAKYKYVXPM-UHFFFAOYSA-N -1 0 334.393 3.519 20 0 EHADRM O=C([O-])CN(C(=O)c1cccc(Cl)c1Cl)C1CCCCC1 ZINC000675992670 976023110 /nfs/dbraw/zinc/02/31/10/976023110.db2.gz MOEFFZMAWTUESB-UHFFFAOYSA-N -1 0 330.211 3.853 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CCC(=O)N(CC(=O)[O-])C2CCCCC2)o1 ZINC000675993274 976024409 /nfs/dbraw/zinc/02/44/09/976024409.db2.gz CTLKNYUAVUIDGC-CZUORRHYSA-N -1 0 333.428 3.582 20 0 EHADRM O=C([O-])CN(C(=O)c1cc(Cl)sc1Cl)C1CCCCC1 ZINC000675994111 976025971 /nfs/dbraw/zinc/02/59/71/976025971.db2.gz SRFQIGWSEBUNMR-UHFFFAOYSA-N -1 0 336.240 3.914 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000679093113 976037015 /nfs/dbraw/zinc/03/70/15/976037015.db2.gz CKUBUHHZSHDUTM-UHFFFAOYSA-N -1 0 341.407 3.872 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N3CCC[C@@H](C(C)(C)C(=O)[O-])C3)cc2c1C ZINC000679105403 976046615 /nfs/dbraw/zinc/04/66/15/976046615.db2.gz OCXJPRFHLQQGCE-CQSZACIVSA-N -1 0 342.439 3.748 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000679393167 976049026 /nfs/dbraw/zinc/04/90/26/976049026.db2.gz DUBJSQJBKJWJAQ-LJQANCHMSA-N -1 0 337.419 3.752 20 0 EHADRM CC[C@H](C)Oc1cc(CN[C@@H](C(=O)[O-])c2cccs2)ccc1OC ZINC000683173421 976079599 /nfs/dbraw/zinc/07/95/99/976079599.db2.gz HHQFXNRABYKJFQ-YVEFUNNKSA-N -1 0 349.452 3.850 20 0 EHADRM C[C@@H](Sc1ccc(-c2ccc(C3(CO)CC3)cc2)cc1)C(=O)[O-] ZINC000579733011 1014315542 /nfs/dbraw/zinc/31/55/42/1014315542.db2.gz GTZUHEINLBCQPZ-CYBMUJFWSA-N -1 0 328.433 3.943 20 0 EHADRM CC(C)c1[nH]c(CNCc2nsc3ccccc23)cc1C(=O)[O-] ZINC001591918708 976385184 /nfs/dbraw/zinc/38/51/84/976385184.db2.gz VLBUZPJCSKFSDA-UHFFFAOYSA-N -1 0 329.425 3.736 20 0 EHADRM CC(C)c1cc(C(=O)OCc2cccc(C(=O)[O-])c2)nn1C(C)(C)C ZINC001591931045 976429943 /nfs/dbraw/zinc/42/99/43/976429943.db2.gz GDFFAXKQVUBQGY-UHFFFAOYSA-N -1 0 344.411 3.817 20 0 EHADRM CC(C)c1cc(NC(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)n[nH]1 ZINC001591936335 976459419 /nfs/dbraw/zinc/45/94/19/976459419.db2.gz UTOLPAJPZOQQKE-UHFFFAOYSA-N -1 0 340.742 3.668 20 0 EHADRM CC(C)c1ccc(C(=O)COC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1 ZINC001591943464 976479136 /nfs/dbraw/zinc/47/91/36/976479136.db2.gz KRPFFZFSZFYERA-UHFFFAOYSA-N -1 0 344.407 3.571 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c(=O)[nH]1 ZINC001591947190 976489363 /nfs/dbraw/zinc/48/93/63/976489363.db2.gz HQGBPAHJRYPJRH-UHFFFAOYSA-N -1 0 342.395 3.525 20 0 EHADRM CC(C)c1ccc(C2(C(=O)N[C@H](CF)C(=O)[O-])CCCCC2)cc1 ZINC001591948294 976498119 /nfs/dbraw/zinc/49/81/19/976498119.db2.gz DHEJNCWFJYTGKW-MRXNPFEDSA-N -1 0 335.419 3.551 20 0 EHADRM CC(C)c1ccc(C2(C(=O)Nc3cc(C(=O)[O-])no3)CCC2)cc1 ZINC001591949266 976505735 /nfs/dbraw/zinc/50/57/35/976505735.db2.gz RUXAREWBUDCZQE-UHFFFAOYSA-N -1 0 328.368 3.557 20 0 EHADRM CC(C)c1ccc([C@@H](NC(=S)NCCCC(=O)[O-])C(C)C)cc1 ZINC001591949305 976506175 /nfs/dbraw/zinc/50/61/75/976506175.db2.gz TVUGCQHQTOEGKY-KRWDZBQOSA-N -1 0 336.501 3.836 20 0 EHADRM CC(C)c1ccc(CCCNC(=O)/C=C\c2cc(C(=O)[O-])co2)cc1 ZINC001591952713 976514131 /nfs/dbraw/zinc/51/41/31/976514131.db2.gz NQTGOBCFQNGYNO-KTKRTIGZSA-N -1 0 341.407 3.863 20 0 EHADRM CC(C)c1ccc(NC(=O)C(F)(F)c2nccs2)c(C(=O)[O-])c1 ZINC001591962707 976550350 /nfs/dbraw/zinc/55/03/50/976550350.db2.gz PBUKWIBKCXEBOD-UHFFFAOYSA-N -1 0 340.351 3.695 20 0 EHADRM CC(C)c1ccc(NC(=O)NC[C@]2(C(=O)[O-])CCOC2)c(C(C)C)c1 ZINC001591965867 976560759 /nfs/dbraw/zinc/56/07/59/976560759.db2.gz SMBHIAYWDXDPKS-LJQANCHMSA-N -1 0 348.443 3.546 20 0 EHADRM CC(C)c1cccc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])n1 ZINC001591983260 976602484 /nfs/dbraw/zinc/60/24/84/976602484.db2.gz MGBJIXXDMXWFTI-QGZVFWFLSA-N -1 0 340.423 3.787 20 0 EHADRM CC(C)c1ccccc1NC(=O)CNc1ccc(F)c(C(=O)[O-])c1F ZINC001591995418 976640702 /nfs/dbraw/zinc/64/07/02/976640702.db2.gz WSKMESKIGNLBEZ-UHFFFAOYSA-N -1 0 348.349 3.837 20 0 EHADRM CC(C)c1ccccc1OCCC(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC001592004404 976667942 /nfs/dbraw/zinc/66/79/42/976667942.db2.gz OZWWJKDCQQCJPY-IBGZPJMESA-N -1 0 342.391 3.948 20 0 EHADRM CC(C)c1nc(NC(=O)c2cc(Cl)cs2)sc1C(=O)[O-] ZINC001592028320 976724814 /nfs/dbraw/zinc/72/48/14/976724814.db2.gz BJIBJQFTADRBKV-UHFFFAOYSA-N -1 0 330.818 3.932 20 0 EHADRM CC(C)c1ncc(C(=O)N2CCCCc3cc(C(=O)[O-])ccc32)s1 ZINC001592032218 976743495 /nfs/dbraw/zinc/74/34/95/976743495.db2.gz NINLJSSKLYHGOP-UHFFFAOYSA-N -1 0 344.436 3.948 20 0 EHADRM CC(C)c1ncsc1NC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001592042435 976768966 /nfs/dbraw/zinc/76/89/66/976768966.db2.gz KIXADFGAAQMWRO-LLVKDONJSA-N -1 0 339.461 3.621 20 0 EHADRM CC(C)c1ocnc1COc1cc(Br)cc(C(=O)[O-])c1 ZINC001592108466 976894019 /nfs/dbraw/zinc/89/40/19/976894019.db2.gz PPNFWBNHHVEOMN-UHFFFAOYSA-N -1 0 340.173 3.838 20 0 EHADRM CC(C)c1sc(NC(=O)Cc2c[nH]c3ccccc23)nc1C(=O)[O-] ZINC001592111800 976903882 /nfs/dbraw/zinc/90/38/82/976903882.db2.gz QUCVJIIQFJUICU-UHFFFAOYSA-N -1 0 343.408 3.627 20 0 EHADRM CC(C)c1sc(NC(=O)c2cccc3c2CCC3)nc1C(=O)[O-] ZINC001592114875 976911081 /nfs/dbraw/zinc/91/10/81/976911081.db2.gz MAWODVREFAIOIB-UHFFFAOYSA-N -1 0 330.409 3.706 20 0 EHADRM CC(C)c1scnc1NC(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC001592118062 976923905 /nfs/dbraw/zinc/92/39/05/976923905.db2.gz YAFCPYXXCRJPHZ-UHFFFAOYSA-N -1 0 345.424 3.555 20 0 EHADRM CC(C)n1cc(Br)cc1C(=O)OCCCCCC(=O)[O-] ZINC001592122237 976932365 /nfs/dbraw/zinc/93/23/65/976932365.db2.gz FHJJKFNBNBNGCS-UHFFFAOYSA-N -1 0 346.221 3.633 20 0 EHADRM CC(C)n1cnc(C(=O)Nc2cccc3cc(C(=O)[O-])sc32)c1 ZINC001592144206 976995007 /nfs/dbraw/zinc/99/50/07/976995007.db2.gz FXFZKWYHSPSQKZ-UHFFFAOYSA-N -1 0 329.381 3.629 20 0 EHADRM CC(C)n1ncc(C(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)c1Cl ZINC001592158612 977039261 /nfs/dbraw/zinc/03/92/61/977039261.db2.gz TVWSFPANOFWJBG-UHFFFAOYSA-N -1 0 343.166 3.688 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CC[C@@H](c2ccco2)C1 ZINC000654769437 1014377569 /nfs/dbraw/zinc/37/75/69/1014377569.db2.gz HLGCRRKFISUENB-SNVBAGLBSA-N -1 0 325.286 3.634 20 0 EHADRM C[C@@H](/C=C/C(=O)[O-])NC(=O)c1ccccc1SCc1cccs1 ZINC001592218158 977290871 /nfs/dbraw/zinc/29/08/71/977290871.db2.gz PEQJJBRFBXANIJ-BCPZQOPPSA-N -1 0 347.461 3.800 20 0 EHADRM C[C@H](CC(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1)c1ccncc1 ZINC001592243218 977467101 /nfs/dbraw/zinc/46/71/01/977467101.db2.gz UNOSMASCTZMKMN-CRAIPNDOSA-N -1 0 346.471 3.895 20 0 EHADRM C[C@H](CC(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1)C1CCCCC1 ZINC001592258835 977497607 /nfs/dbraw/zinc/49/76/07/977497607.db2.gz JWPOFZAVUUAGHA-CRAIPNDOSA-N -1 0 331.456 3.795 20 0 EHADRM C[C@H](CC(=O)Nc1cc(C(=O)[O-])cc(Cl)c1Cl)[C@@H]1CCCO1 ZINC001592262473 977508578 /nfs/dbraw/zinc/50/85/78/977508578.db2.gz VEYTZQHCACCAGT-PELKAZGASA-N -1 0 346.210 3.835 20 0 EHADRM CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NC(=O)[C@H](C)CC(=O)[O-] ZINC001592344660 977801306 /nfs/dbraw/zinc/80/13/06/977801306.db2.gz CWDNXWQAGZLGBN-SJKOYZFVSA-N -1 0 325.836 3.524 20 0 EHADRM CCCc1nc(=NC(=O)N2CC[C@H](c3ccc(C)cc3C)C2)s[n-]1 ZINC000579766918 1014435597 /nfs/dbraw/zinc/43/55/97/1014435597.db2.gz KUFIWDRGCDFTHO-AWEZNQCLSA-N -1 0 344.484 3.551 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@](C)(Cc1ccccc1)c1ccccc1 ZINC001592381190 977918108 /nfs/dbraw/zinc/91/81/08/977918108.db2.gz CWUABDBHYQEYTA-HRAATJIYSA-N -1 0 339.435 3.762 20 0 EHADRM C[C@@H](CC(=O)OCc1ccc(C(=O)[O-])c(Cl)c1)c1ccc(N)cc1 ZINC001592433612 978068112 /nfs/dbraw/zinc/06/81/12/978068112.db2.gz MFMNVXXRMNJZAL-NSHDSACASA-N -1 0 347.798 3.857 20 0 EHADRM C[C@@H](CC(=O)Oc1ccccc1C(=O)[O-])C(=O)c1ccc(Cl)cc1 ZINC001592437994 978081820 /nfs/dbraw/zinc/08/18/20/978081820.db2.gz PAPYIIFJAAUYJP-NSHDSACASA-N -1 0 346.766 3.853 20 0 EHADRM C[C@@H](CC(F)(F)F)C(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1 ZINC001592452169 978142601 /nfs/dbraw/zinc/14/26/01/978142601.db2.gz JTXWQCUICKMPGV-WCQYABFASA-N -1 0 337.382 3.895 20 0 EHADRM CC(C)c1ccc2c(c1)CCCN2C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000736520266 978340268 /nfs/dbraw/zinc/34/02/68/978340268.db2.gz BFGYBHXZOTYLDM-IAGOWNOFSA-N -1 0 329.440 3.980 20 0 EHADRM CC[C@H](NC(=S)Nc1ccc(C(=O)[O-])s1)c1cccs1 ZINC000736919865 978366287 /nfs/dbraw/zinc/36/62/87/978366287.db2.gz KTZOAZMZIMQLCI-QMMMGPOBSA-N -1 0 326.468 3.946 20 0 EHADRM C[C@@H](CCNc1ncncc1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001592530920 978403317 /nfs/dbraw/zinc/40/33/17/978403317.db2.gz NRJNKKYHTVXFJD-JTQLQIEISA-N -1 0 339.317 3.799 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC001592546305 978432614 /nfs/dbraw/zinc/43/26/14/978432614.db2.gz MLHBJSWVXOCYON-GFCCVEGCSA-N -1 0 348.345 3.766 20 0 EHADRM CO[C@H](C)c1nc(C)c(C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)s1 ZINC000588592322 1032093209 /nfs/dbraw/zinc/09/32/09/1032093209.db2.gz LKFVRNSVOWFRBA-DHHDDZJSSA-N -1 0 346.408 3.509 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)c1ccc(NC2CC2)nc1 ZINC000739463829 978641669 /nfs/dbraw/zinc/64/16/69/978641669.db2.gz WWHZPUZEWLVEFV-UHFFFAOYSA-N -1 0 347.374 3.760 20 0 EHADRM CCCC[C@H](NC(=O)/C=C/c1ccccc1O[C@@H](C)CC)C(=O)[O-] ZINC000753907752 978694643 /nfs/dbraw/zinc/69/46/43/978694643.db2.gz ZNIYTVYLOWRBHI-JOFHTTMZSA-N -1 0 333.428 3.637 20 0 EHADRM CCOc1ccccc1C(F)(F)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000761427471 978710694 /nfs/dbraw/zinc/71/06/94/978710694.db2.gz SSCUJIOSBRVWTG-UHFFFAOYSA-N -1 0 335.306 3.514 20 0 EHADRM Cc1nc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)c(-c2ccccc2)o1 ZINC000761750888 978715142 /nfs/dbraw/zinc/71/51/42/978715142.db2.gz YJVFSGLINXCRSL-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM Cc1c(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cnc2ccccc12 ZINC000761977125 978716295 /nfs/dbraw/zinc/71/62/95/978716295.db2.gz GEFLSOPMUVPIJV-AWEZNQCLSA-N -1 0 340.423 3.506 20 0 EHADRM C[C@@]1(C(=O)N2CCc3cc(C(=O)[O-])ccc32)CCCc2ccccc21 ZINC000766843950 978726609 /nfs/dbraw/zinc/72/66/09/978726609.db2.gz PNPLRBQEFFABBZ-OAQYLSRUSA-N -1 0 335.403 3.568 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)C1(c2cccc(F)c2)CCC1 ZINC000766844319 978726697 /nfs/dbraw/zinc/72/66/97/978726697.db2.gz BGQVWJLQMHOVOU-UHFFFAOYSA-N -1 0 339.366 3.535 20 0 EHADRM CCCCCCOc1ccc(C(=O)N2CCC(CC(=O)[O-])CC2)cc1 ZINC000766859860 978727730 /nfs/dbraw/zinc/72/77/30/978727730.db2.gz VJKHPYYUNIKGID-UHFFFAOYSA-N -1 0 347.455 3.973 20 0 EHADRM Cc1cc(OCC(=O)Nc2ccc(C(=O)[O-])c(F)c2)ccc1C(C)C ZINC000767201856 978736634 /nfs/dbraw/zinc/73/66/34/978736634.db2.gz RRQOQWZCSQMMTO-UHFFFAOYSA-N -1 0 345.370 3.973 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N3CCCC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000779437964 978783356 /nfs/dbraw/zinc/78/33/56/978783356.db2.gz XCQZAWPWIFBXJU-HNNXBMFYSA-N -1 0 328.412 3.761 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)NCCc2cccc(Cl)c2)c1 ZINC000811814171 978857607 /nfs/dbraw/zinc/85/76/07/978857607.db2.gz RQOLQTDPZOQQBJ-UHFFFAOYSA-N -1 0 338.190 3.664 20 0 EHADRM CCOc1cccc([C@@H](C)NC(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000811815428 978859045 /nfs/dbraw/zinc/85/90/45/978859045.db2.gz PSFFACJUJZHKCO-LLVKDONJSA-N -1 0 347.798 3.928 20 0 EHADRM CCOc1ccc(NC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1OC ZINC000811818000 978861700 /nfs/dbraw/zinc/86/17/00/978861700.db2.gz XDTVKWSNSXVKOL-UHFFFAOYSA-N -1 0 349.770 3.698 20 0 EHADRM CC(C)OC1CCC(NC(=O)c2cc(C(=O)[O-])ccc2Cl)CC1 ZINC000811823610 978868386 /nfs/dbraw/zinc/86/83/86/978868386.db2.gz SNHMGNZTTXEVIE-UHFFFAOYSA-N -1 0 339.819 3.504 20 0 EHADRM C[C@@H](NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)[C@H](C)c1ccccc1 ZINC000827653903 978962804 /nfs/dbraw/zinc/96/28/04/978962804.db2.gz TZBZFQGMSTVBKH-UONOGXRCSA-N -1 0 338.407 3.602 20 0 EHADRM CC[C@@H]1CCN(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)C1 ZINC000829125676 978994010 /nfs/dbraw/zinc/99/40/10/978994010.db2.gz QBSNFWOIPYNHNC-CYBMUJFWSA-N -1 0 336.457 3.658 20 0 EHADRM CCO[C@@H](C)c1ncc(C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)s1 ZINC000829907111 979009762 /nfs/dbraw/zinc/00/97/62/979009762.db2.gz AQZINCDSZHATSY-JTQLQIEISA-N -1 0 349.412 3.607 20 0 EHADRM Cc1ccc([C@H](C)C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])o1 ZINC000832925449 979056476 /nfs/dbraw/zinc/05/64/76/979056476.db2.gz ZUZWUQWCVSHCAI-XJKSGUPXSA-N -1 0 329.396 3.660 20 0 EHADRM CC[C@@H](C)n1nc(C(=O)Oc2ccc(Cl)cc2C(=O)[O-])cc1C ZINC001595021952 979100345 /nfs/dbraw/zinc/10/03/45/979100345.db2.gz FJMFLKCUCJQQHO-SECBINFHSA-N -1 0 336.775 3.733 20 0 EHADRM CC[C@@H](C)n1ncc(C(=O)Oc2ccc(CC(=O)[O-])cc2)c1C1CC1 ZINC001595026638 979137215 /nfs/dbraw/zinc/13/72/15/979137215.db2.gz JOEFBSRIWYCOAE-GFCCVEGCSA-N -1 0 342.395 3.578 20 0 EHADRM CC[C@@H](CC(=O)OCc1ccoc1C(=O)[O-])c1ccc(OC)cc1 ZINC001595037271 979205058 /nfs/dbraw/zinc/20/50/58/979205058.db2.gz WTYROLIDLXVFAH-LBPRGKRZSA-N -1 0 332.352 3.614 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(C(=O)C=C2CCCC2)CC1 ZINC000836749837 979252255 /nfs/dbraw/zinc/25/22/55/979252255.db2.gz GUZBQQDRMNKVHH-UHFFFAOYSA-N -1 0 327.424 3.666 20 0 EHADRM CC(C)(C)/C=C\C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000836754699 979261299 /nfs/dbraw/zinc/26/12/99/979261299.db2.gz QNXHGXWRJSJRSP-LJTDUEICSA-N -1 0 329.318 3.707 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)c2sccc2-c2ccc(F)cc2)C1 ZINC000840944801 979284690 /nfs/dbraw/zinc/28/46/90/979284690.db2.gz BPLANHMJVLAARB-SFHVURJKSA-N -1 0 347.411 3.881 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2CC=CCC2)ccc1N1CCCCC1 ZINC000841501580 979303405 /nfs/dbraw/zinc/30/34/05/979303405.db2.gz MLDAJVHOBHXSCG-AWEZNQCLSA-N -1 0 328.412 3.670 20 0 EHADRM O=C([O-])CC[C@H](Cc1ccccc1)Nc1c(F)c(F)nc(F)c1F ZINC000841510019 979306697 /nfs/dbraw/zinc/30/66/97/979306697.db2.gz ZJJSQKGXIMXOMO-SNVBAGLBSA-N -1 0 342.292 3.526 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2sccc2-c2ccc(F)cc2)C1 ZINC000842784596 979328240 /nfs/dbraw/zinc/32/82/40/979328240.db2.gz NYGMSHFCNPJPAV-YPMHNXCESA-N -1 0 333.384 3.537 20 0 EHADRM CCC(CC)(CNC(=O)c1[nH]c2c(cccc2Cl)c1C)C(=O)[O-] ZINC001595073196 979345896 /nfs/dbraw/zinc/34/58/96/979345896.db2.gz JGCHIUAIISDLCR-UHFFFAOYSA-N -1 0 336.819 3.751 20 0 EHADRM O=C([O-])CCCC(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000844242802 979388127 /nfs/dbraw/zinc/38/81/27/979388127.db2.gz JAAPBKVBJYGKFY-UHFFFAOYSA-N -1 0 338.816 3.581 20 0 EHADRM C[C@](COC(=O)c1cc2occc2s1)(C(=O)[O-])c1ccccc1 ZINC001592772571 979392840 /nfs/dbraw/zinc/39/28/40/979392840.db2.gz QTJPPSZRMYNQJJ-QGZVFWFLSA-N -1 0 330.361 3.694 20 0 EHADRM CCC(CC)(NC(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC001595098264 979401671 /nfs/dbraw/zinc/40/16/71/979401671.db2.gz ZVHCYHAQQQPBIO-UHFFFAOYSA-N -1 0 325.817 3.928 20 0 EHADRM CCC(CC)[C@H](C)C(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001595105264 979421476 /nfs/dbraw/zinc/42/14/76/979421476.db2.gz HVRQYDKNXDAETA-BLLLJJGKSA-N -1 0 331.412 3.617 20 0 EHADRM CCC(CC)[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001595106364 979431659 /nfs/dbraw/zinc/43/16/59/979431659.db2.gz KIVYRMVKWPOMEQ-OLZOCXBDSA-N -1 0 349.427 3.636 20 0 EHADRM CCC(CC)[C@H](CCNC(=O)c1cc(C(=O)[O-])ccc1Cl)OC ZINC001595106852 979437123 /nfs/dbraw/zinc/43/71/23/979437123.db2.gz YCKDXSOZDNLRJF-HNNXBMFYSA-N -1 0 341.835 3.609 20 0 EHADRM CCC(CC)CC(=O)N[C@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595110121 979452724 /nfs/dbraw/zinc/45/27/24/979452724.db2.gz ZPDMNHADYFXCDZ-KRWDZBQOSA-N -1 0 325.836 3.972 20 0 EHADRM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851592736 979501802 /nfs/dbraw/zinc/50/18/02/979501802.db2.gz AYYZABSWRWSMHJ-WONIAPNHSA-N -1 0 339.391 3.818 20 0 EHADRM CCC(CC)n1ccc(C(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)n1 ZINC001595124360 979504359 /nfs/dbraw/zinc/50/43/59/979504359.db2.gz DUXKTBANMVUDPI-UHFFFAOYSA-N -1 0 344.411 3.826 20 0 EHADRM COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000471120599 1014580806 /nfs/dbraw/zinc/58/08/06/1014580806.db2.gz LFMOSDJUVPYLDP-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM CC[C@H](NC(=O)c1ccc(/C=C\C(=O)[O-])o1)C(C)(C)c1ccccc1 ZINC000851597286 979513115 /nfs/dbraw/zinc/51/31/15/979513115.db2.gz WTPFLAPTYGAJGX-MOJYJUKOSA-N -1 0 341.407 3.864 20 0 EHADRM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851600098 979518687 /nfs/dbraw/zinc/51/86/87/979518687.db2.gz CECOEBOTJQFJKV-ODAKQPGBSA-N -1 0 343.354 3.535 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C1CCC2(CC2)CC1)c1cccc(Cl)c1 ZINC000851602505 979523513 /nfs/dbraw/zinc/52/35/13/979523513.db2.gz VRBGMAMZUYEADX-OAHLLOKOSA-N -1 0 335.831 3.942 20 0 EHADRM CC(C)(c1ccccc1)C1(NC(=O)c2ccc(/C=C/C(=O)[O-])o2)CC1 ZINC000851608208 979534615 /nfs/dbraw/zinc/53/46/15/979534615.db2.gz CQYSBPJSLVEQPD-PKNBQFBNSA-N -1 0 339.391 3.618 20 0 EHADRM C[C@@H](CSCc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C1CCCC1 ZINC001592825658 979544707 /nfs/dbraw/zinc/54/47/07/979544707.db2.gz KWVZLVRHQNVKQK-YOEHRIQHSA-N -1 0 349.496 3.706 20 0 EHADRM C/C(=C\C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21)c1ccc(F)cc1 ZINC000851619297 979546586 /nfs/dbraw/zinc/54/65/86/979546586.db2.gz TXGGZZLMUKZCME-GPVXIOJZSA-N -1 0 345.414 3.721 20 0 EHADRM C[C@@H](CSCc1ccccc1)C(=O)Oc1cccc(C(=O)[O-])c1 ZINC001592825958 979547605 /nfs/dbraw/zinc/54/76/05/979547605.db2.gz QLXDFYCGTHQXLM-ZDUSSCGKSA-N -1 0 330.405 3.860 20 0 EHADRM CC[C@@](CNC(=O)C(C)(C)CC(C)(C)C)(C(=O)[O-])c1ccccc1 ZINC001595135222 979573227 /nfs/dbraw/zinc/57/32/27/979573227.db2.gz LWPAWHPSOKFBST-FQEVSTJZSA-N -1 0 333.472 3.998 20 0 EHADRM CC(C)c1ccc(C[C@H](C)NC(=O)NC[C@@H](CC(=O)[O-])C2CC2)cc1 ZINC001592834658 979578653 /nfs/dbraw/zinc/57/86/53/979578653.db2.gz UGEWDRAJBQBRJN-KBXCAEBGSA-N -1 0 346.471 3.541 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)Nc1cc(C(=O)[O-])ncn1 ZINC001592839427 979598140 /nfs/dbraw/zinc/59/81/40/979598140.db2.gz NBAKUSVLTGRHLG-MRVPVSSYSA-N -1 0 326.183 3.525 20 0 EHADRM CC[C@H](CNC(=O)Nc1cc(C(=O)[O-])cs1)Oc1ccccc1C ZINC001595152515 979647665 /nfs/dbraw/zinc/64/76/65/979647665.db2.gz LFRSAMUVROWTLC-CYBMUJFWSA-N -1 0 348.424 3.734 20 0 EHADRM O=C([O-])c1c[nH]c2cc(NCc3cnc([C@H]4CCCO4)s3)ccc21 ZINC000859819959 979652982 /nfs/dbraw/zinc/65/29/82/979652982.db2.gz OHGRRQMAMCHNRY-OAHLLOKOSA-N -1 0 343.408 3.786 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N2CCC[C@H](c3ccccc3)CC2)o1 ZINC000864108026 979697165 /nfs/dbraw/zinc/69/71/65/979697165.db2.gz IZTQSGUNBGWQCU-SOGBHIHOSA-N -1 0 339.391 3.787 20 0 EHADRM CC(C)[C@@H](c1ccccc1)N(C)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000864110285 979700494 /nfs/dbraw/zinc/70/04/94/979700494.db2.gz PCVXWGFBLPBVRG-KSEUIEODSA-N -1 0 327.380 3.847 20 0 EHADRM CC(C)[C@@H]1N(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)CC12CCC2 ZINC001592861802 979702879 /nfs/dbraw/zinc/70/28/79/979702879.db2.gz XHDOKHQZVVFHBO-YOEHRIQHSA-N -1 0 344.455 3.992 20 0 EHADRM Cc1ccc(CN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)C2CC2)cc1C ZINC000864112040 979703355 /nfs/dbraw/zinc/70/33/55/979703355.db2.gz SQYLDFSRTCVBQX-CSKARUKUSA-N -1 0 339.391 3.799 20 0 EHADRM CCC[C@](C)(NC(=O)/C=C/c1ccsc1C(F)(F)F)C(=O)[O-] ZINC000864113117 979705260 /nfs/dbraw/zinc/70/52/60/979705260.db2.gz OQOLFZOLAOUJTM-IHVVCDCBSA-N -1 0 335.347 3.540 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N2CCC[C@@H]2CCc2ccccc2)o1 ZINC000864124545 979724331 /nfs/dbraw/zinc/72/43/31/979724331.db2.gz COKHLMDRNBTNJU-DVFVSVACSA-N -1 0 339.391 3.615 20 0 EHADRM Cc1ccc(C(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)cc1C(=O)[O-] ZINC000864129627 979730145 /nfs/dbraw/zinc/73/01/45/979730145.db2.gz NFUULDQDSNDJCI-CZUORRHYSA-N -1 0 341.382 3.851 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)/C=C\c1ccccc1C(F)(F)F ZINC000864133650 979735975 /nfs/dbraw/zinc/73/59/75/979735975.db2.gz WEAJYNYDPJDZNC-LJTDUEICSA-N -1 0 341.329 3.574 20 0 EHADRM COc1ccc(NC(=O)c2ccc(C)c(C(=O)[O-])c2)cc1OC(C)C ZINC000864137289 979740713 /nfs/dbraw/zinc/74/07/13/979740713.db2.gz SCXQFTXRFRYROS-UHFFFAOYSA-N -1 0 343.379 3.741 20 0 EHADRM Cc1ccc(C(=O)N(Cc2c(F)cccc2F)C2CC2)cc1C(=O)[O-] ZINC000864143733 979749036 /nfs/dbraw/zinc/74/90/36/979749036.db2.gz IIOBOFKYKMHPBL-UHFFFAOYSA-N -1 0 345.345 3.776 20 0 EHADRM Cc1ccc([C@@H](NC(=O)c2ccc(C)c(C(=O)[O-])c2)C(F)(F)F)o1 ZINC000864153141 979763634 /nfs/dbraw/zinc/76/36/34/979763634.db2.gz YYYGTDQYIFFYPR-CYBMUJFWSA-N -1 0 341.285 3.628 20 0 EHADRM COc1cccc(C2(NC(=O)c3ccc(C)c(C(=O)[O-])c3)CCC2)c1 ZINC000864155227 979766971 /nfs/dbraw/zinc/76/69/71/979766971.db2.gz ITXFRELEIWSRGR-UHFFFAOYSA-N -1 0 339.391 3.511 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)Nc1c(F)ccc(F)c1C(=O)[O-] ZINC001592885984 979772279 /nfs/dbraw/zinc/77/22/79/979772279.db2.gz WVJMKHBWEVWERK-SECBINFHSA-N -1 0 337.297 3.619 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001592885975 979772336 /nfs/dbraw/zinc/77/23/36/979772336.db2.gz WKJJHJUTKSUSSD-SNVBAGLBSA-N -1 0 335.762 3.995 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001592889785 979774734 /nfs/dbraw/zinc/77/47/34/979774734.db2.gz AQXGBZHYQSDICE-LBPRGKRZSA-N -1 0 331.799 3.784 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)cc1 ZINC000864173892 979809270 /nfs/dbraw/zinc/80/92/70/979809270.db2.gz FQVVYTGVADKOGG-SLFFLAALSA-N -1 0 349.430 3.580 20 0 EHADRM C[C@H](Cc1ccco1)NC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001592899238 979813358 /nfs/dbraw/zinc/81/33/58/979813358.db2.gz FHHSUAMEMGONKB-GFCCVEGCSA-N -1 0 338.363 3.884 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000864177527 979822486 /nfs/dbraw/zinc/82/24/86/979822486.db2.gz OFEKCIVVDLEADS-XXUXLKQBSA-N -1 0 339.391 3.784 20 0 EHADRM CC(C)(CCCc1ccccc1)C(=O)NCc1cc(C(=O)[O-])co1 ZINC000864193462 979852846 /nfs/dbraw/zinc/85/28/46/979852846.db2.gz QPORBWXWFFJDPY-UHFFFAOYSA-N -1 0 329.396 3.643 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)c1cc(F)c(Cl)cc1Cl)C1CC1 ZINC000864196756 979862249 /nfs/dbraw/zinc/86/22/49/979862249.db2.gz SFVAEGHWZLFKBN-AWEZNQCLSA-N -1 0 334.174 3.506 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)[C@@H](C)c2c(F)cccc2F)c1 ZINC000864233696 979931943 /nfs/dbraw/zinc/93/19/43/979931943.db2.gz YRAKUTXRFNJAPT-BLLLJJGKSA-N -1 0 347.361 3.709 20 0 EHADRM CC(C)(C)c1csc(CN[C@H](C(=O)[O-])c2cc(F)ccc2F)n1 ZINC000864508167 979938216 /nfs/dbraw/zinc/93/82/16/979938216.db2.gz VUYRZNRDBCCKKN-AWEZNQCLSA-N -1 0 340.395 3.634 20 0 EHADRM CCCOc1ccc(NC(=O)N2CCC(CCC(=O)[O-])CC2)cc1C ZINC000864605222 979949027 /nfs/dbraw/zinc/94/90/27/979949027.db2.gz UBLMQVRFSFCASA-UHFFFAOYSA-N -1 0 348.443 3.893 20 0 EHADRM CC[C@@H](CSc1ccccc1)NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001595203702 979967335 /nfs/dbraw/zinc/96/73/35/979967335.db2.gz SFPRBRPZGUHRJR-FUWURINLSA-N -1 0 345.420 3.678 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001595210070 979982696 /nfs/dbraw/zinc/98/26/96/979982696.db2.gz BBXJCGSXVHLKOI-OAHLLOKOSA-N -1 0 341.407 3.909 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001595210407 979984324 /nfs/dbraw/zinc/98/43/24/979984324.db2.gz FSAKKFPAMXOWFB-INIZCTEOSA-N -1 0 337.419 3.538 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001595211310 979990577 /nfs/dbraw/zinc/99/05/77/979990577.db2.gz RKFLSQSIAURNME-CQSZACIVSA-N -1 0 327.380 3.601 20 0 EHADRM CC(F)(F)CCC(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1 ZINC001592938791 980003091 /nfs/dbraw/zinc/00/30/91/980003091.db2.gz GMFKCHSVXCYYOY-UHFFFAOYSA-N -1 0 332.372 3.873 20 0 EHADRM CC(F)(F)c1ccc(C(=O)OCc2ccc(C(=O)[O-])s2)cc1 ZINC001592945316 980025723 /nfs/dbraw/zinc/02/57/23/980025723.db2.gz YAOPRBOYZRDQJZ-UHFFFAOYSA-N -1 0 326.320 3.915 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)Nc1cccc(C(=O)[O-])c1OC ZINC001595217581 980027407 /nfs/dbraw/zinc/02/74/07/980027407.db2.gz CIOKREILGYTZML-CQSZACIVSA-N -1 0 341.407 3.909 20 0 EHADRM C[C@H](N(C)C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)C1(C)CC1 ZINC001592950656 980030789 /nfs/dbraw/zinc/03/07/89/980030789.db2.gz MCSIFDDIWWEGPF-QMMMGPOBSA-N -1 0 328.771 3.830 20 0 EHADRM CCc1ccc([C@H]2CN(Cc3cc(C(=O)[O-])cs3)CCO2)cc1 ZINC000872158359 980041476 /nfs/dbraw/zinc/04/14/76/980041476.db2.gz BLBKUPFUOGOEMJ-QGZVFWFLSA-N -1 0 331.437 3.582 20 0 EHADRM CC[C@](NC(=O)/C(C)=C\c1ccc(C)cc1)(C(=O)[O-])c1ccccc1 ZINC001595232573 980124685 /nfs/dbraw/zinc/12/46/85/980124685.db2.gz DOCGFNACGREDJR-OVKKFJMPSA-N -1 0 337.419 3.905 20 0 EHADRM CC[C@@H](NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)[C@@H]1CC1(C)C ZINC001595252681 980223087 /nfs/dbraw/zinc/22/30/87/980223087.db2.gz PGVLLOWFZXCNDH-JOYOIKCWSA-N -1 0 326.343 3.609 20 0 EHADRM Cc1oc(C(C)(C)C)cc1C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000899536674 980228212 /nfs/dbraw/zinc/22/82/12/980228212.db2.gz MOQAGFHDCFWGIA-UHFFFAOYSA-N -1 0 345.395 3.910 20 0 EHADRM COc1cc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc2ccccc21 ZINC000899846843 980232371 /nfs/dbraw/zinc/23/23/71/980232371.db2.gz OROGKBVDDMSQKU-KGLIPLIRSA-N -1 0 327.380 3.678 20 0 EHADRM Cc1cc(CN(Cc2cccs2)C[C@@H]2CCCO2)oc1C(=O)[O-] ZINC000901416292 980262231 /nfs/dbraw/zinc/26/22/31/980262231.db2.gz FSUBVFSEWJADNF-ZDUSSCGKSA-N -1 0 335.425 3.529 20 0 EHADRM CN(C)C(=O)c1ccc(N[C@H]2CCC[C@H](CCCC(=O)[O-])C2)cc1 ZINC000901470475 980302117 /nfs/dbraw/zinc/30/21/17/980302117.db2.gz QXDBBZRMGXOTGD-PBHICJAKSA-N -1 0 332.444 3.614 20 0 EHADRM CC[C@@H](N[C@@H](C)c1nc(C(=O)[O-])co1)c1nc(C(F)(F)F)cs1 ZINC001595282246 980341990 /nfs/dbraw/zinc/34/19/90/980341990.db2.gz VQANKPISRAKFRI-NKWVEPMBSA-N -1 0 349.334 3.650 20 0 EHADRM CC[C@](NCc1ncc(Cl)cc1Cl)(C(=O)[O-])c1ccccc1 ZINC001595304844 980440751 /nfs/dbraw/zinc/44/07/51/980440751.db2.gz AIYSDVSPOOJUKP-MRXNPFEDSA-N -1 0 339.222 3.868 20 0 EHADRM C[C@H](Cc1ccc(N[C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1)C(=O)[O-] ZINC000901735232 980471130 /nfs/dbraw/zinc/47/11/30/980471130.db2.gz PMGGHINJDNLKKR-QCSYZSNVSA-N -1 0 329.440 3.709 20 0 EHADRM CC[C@H](OC(=O)[C@@H](C)c1ccc(C(=O)C(C)C)cc1)[C@@H](C)C(=O)[O-] ZINC001595334297 980583995 /nfs/dbraw/zinc/58/39/95/980583995.db2.gz DTGACYNADKJKLM-ZENOOKHLSA-N -1 0 334.412 3.671 20 0 EHADRM CC[C@H](OC(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1)C(=O)[O-] ZINC001595352102 980665088 /nfs/dbraw/zinc/66/50/88/980665088.db2.gz RZBAOOASXCIVIW-HNNXBMFYSA-N -1 0 343.310 3.654 20 0 EHADRM C[C@H]1CCN(Cc2cnc(CCc3ccccc3)s2)[C@@H](C(=O)[O-])C1 ZINC000902011548 980690461 /nfs/dbraw/zinc/69/04/61/980690461.db2.gz KPZOHUYYZFTAOI-WMLDXEAASA-N -1 0 344.480 3.613 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)N1CC[C@H](C)C[C@H]1C(=O)[O-] ZINC001595356368 980711366 /nfs/dbraw/zinc/71/13/66/980711366.db2.gz CLQAHLGGKAOHFF-XIRDDKMYSA-N -1 0 347.455 3.679 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)N([C@H](C)C(=O)[O-])C1CCC1 ZINC001595356381 980711483 /nfs/dbraw/zinc/71/14/83/980711483.db2.gz CXLMQIXUSDGVBD-PBHICJAKSA-N -1 0 347.455 3.822 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)Nc1sc(C)cc1C(=O)[O-] ZINC001595356523 980712679 /nfs/dbraw/zinc/71/26/79/980712679.db2.gz FPSFNGNUMYSUJC-CYBMUJFWSA-N -1 0 333.409 3.859 20 0 EHADRM CCc1oc(C[N@H+](C)CCOc2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000902065630 980718266 /nfs/dbraw/zinc/71/82/66/980718266.db2.gz NJYNCYAJULMWIB-UHFFFAOYSA-N -1 0 337.803 3.704 20 0 EHADRM CC[C@@H](Oc1ccccc1F)c1nc(-c2cc(C(=O)[O-])co2)no1 ZINC001595357986 980727720 /nfs/dbraw/zinc/72/77/20/980727720.db2.gz XCEXVIUDLYNOAY-LLVKDONJSA-N -1 0 332.287 3.697 20 0 EHADRM CNC(=O)c1cccc(N[C@H]2CCC[C@@H](CCCC(=O)[O-])C2)c1C ZINC000902104168 980735762 /nfs/dbraw/zinc/73/57/62/980735762.db2.gz JDENIMNBGUTXOK-GJZGRUSLSA-N -1 0 332.444 3.580 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)Cc1cccc(C)c1 ZINC001595361929 980766767 /nfs/dbraw/zinc/76/67/67/980766767.db2.gz RPACUFOFGSNLQB-SFHVURJKSA-N -1 0 325.408 3.602 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1ccc(C(=O)OC)s1 ZINC001595362293 980769409 /nfs/dbraw/zinc/76/94/09/980769409.db2.gz AJWDBTHPGYWVIC-OAHLLOKOSA-N -1 0 347.436 3.573 20 0 EHADRM C[C@H](Nc1ccc(OCc2ccccn2)c(Cl)c1)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000902193189 980777154 /nfs/dbraw/zinc/77/71/54/980777154.db2.gz WXYQIFKQDWOBNR-CQDKDKBSSA-N -1 0 346.814 3.835 20 0 EHADRM O=C([O-])CCCCC(=O)N1c2ccccc2C[C@@H]1Cc1ccccc1 ZINC000902195088 980778013 /nfs/dbraw/zinc/77/80/13/980778013.db2.gz FEQPZBXAZMPJPQ-SFHVURJKSA-N -1 0 337.419 3.832 20 0 EHADRM C[C@H](Nc1ccc(N2CCc3sccc3C2)cc1)[C@H]1C[C@H]1C(=O)[O-] ZINC000902204706 980782832 /nfs/dbraw/zinc/78/28/32/980782832.db2.gz XBQDHDNBJABJKM-JCURWCKSSA-N -1 0 342.464 3.832 20 0 EHADRM CC[C@]1(C)Oc2ccc(NC(=O)c3ccc(/C=C/C(=O)[O-])o3)cc2O1 ZINC001595372678 980864891 /nfs/dbraw/zinc/86/48/91/980864891.db2.gz QSJVJLLZXCTQHC-AHKGRUIUSA-N -1 0 343.335 3.527 20 0 EHADRM C[C@]1(C2CC2)CN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)CCO1 ZINC000902396335 980869364 /nfs/dbraw/zinc/86/93/64/980869364.db2.gz IXARBJZZFXNKFG-HXUWFJFHSA-N -1 0 341.407 3.646 20 0 EHADRM CCC1(CC)CCN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)CC1 ZINC001595375219 980893201 /nfs/dbraw/zinc/89/32/01/980893201.db2.gz ZCRJTGVJQCBYGY-UHFFFAOYSA-N -1 0 348.443 3.974 20 0 EHADRM CCC1(NC(=O)Nc2cccc(C(=O)[O-])c2Br)CCC1 ZINC001595391115 980948509 /nfs/dbraw/zinc/94/85/09/980948509.db2.gz XUZLTLSGQZARMV-UHFFFAOYSA-N -1 0 341.205 3.602 20 0 EHADRM CCC1(NS(=O)(=O)c2cccc3c(C(=O)[O-])cccc32)CCCC1 ZINC001595392367 980951626 /nfs/dbraw/zinc/95/16/26/980951626.db2.gz VTYRKVYPRNPVGW-UHFFFAOYSA-N -1 0 347.436 3.539 20 0 EHADRM O=C([O-])[C@@H]1CC(F)(F)CN1Cc1ccccc1OCc1ccccc1 ZINC000903615074 980993930 /nfs/dbraw/zinc/99/39/30/980993930.db2.gz MYEMVOHLZJSUBA-INIZCTEOSA-N -1 0 347.361 3.560 20 0 EHADRM CCC1CCC(NC(=O)c2ccc(F)c(SC)c2)(C(=O)[O-])CC1 ZINC001595424598 981043087 /nfs/dbraw/zinc/04/30/87/981043087.db2.gz FSVAPBBIHCFSAH-UHFFFAOYSA-N -1 0 339.432 3.701 20 0 EHADRM CC[C@@H]1CCC[C@]1(C)C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001595435165 981063312 /nfs/dbraw/zinc/06/33/12/981063312.db2.gz HGJMEMYGKSYMJQ-VIPLHTEESA-N -1 0 329.440 3.530 20 0 EHADRM C[C@@H](Cc1ccc(NCc2cn(C)nc2C2CCCC2)cc1)C(=O)[O-] ZINC000904015805 981080921 /nfs/dbraw/zinc/08/09/21/981080921.db2.gz YBDDKNQILYVRAW-AWEZNQCLSA-N -1 0 341.455 3.953 20 0 EHADRM CC[C@H]1CCC[C@@H]1NC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001595456446 981126140 /nfs/dbraw/zinc/12/61/40/981126140.db2.gz QGXGTMQITJIQSB-JSGCOSHPSA-N -1 0 334.416 3.872 20 0 EHADRM CC[C@@H]1CCC[C@H]1NC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001595459156 981136320 /nfs/dbraw/zinc/13/63/20/981136320.db2.gz WFYUJAUXLNOICW-RPVQJOFSSA-N -1 0 344.455 3.683 20 0 EHADRM O=C([O-])c1cc2cccnc2c(N[C@@H]2CC[C@H]3COCC[C@H]3C2)c1 ZINC000905761869 981146030 /nfs/dbraw/zinc/14/60/30/981146030.db2.gz UYBLAYQFUCHPHO-DUVNUKRYSA-N -1 0 326.396 3.550 20 0 EHADRM CC1=C(C)C[C@@](C)(C(=O)N2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)CC1 ZINC000907788178 981219742 /nfs/dbraw/zinc/21/97/42/981219742.db2.gz GWEMCRYWXVKINT-ACJLOTCBSA-N -1 0 348.468 3.684 20 0 EHADRM CC[C@H]1c2ccccc2CCN1C(=O)Nc1cnc(C)c(C(=O)[O-])c1 ZINC001595505070 981281003 /nfs/dbraw/zinc/28/10/03/981281003.db2.gz VVYSLWPRCVWTIG-KRWDZBQOSA-N -1 0 339.395 3.630 20 0 EHADRM CC(C)c1ccoc1C(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC000908218561 981281966 /nfs/dbraw/zinc/28/19/66/981281966.db2.gz LBAZEYJMGKGIIY-UHFFFAOYSA-N -1 0 341.363 3.820 20 0 EHADRM CC/C=C(\F)C(=O)N(C)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001595508817 981297744 /nfs/dbraw/zinc/29/77/44/981297744.db2.gz XVXWESPQSBXCGZ-JSJZCHLLSA-N -1 0 334.174 3.841 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)c2csc(C(F)(F)F)c2)CCC1 ZINC000908337967 981302685 /nfs/dbraw/zinc/30/26/85/981302685.db2.gz FICUUQGFLJNSCO-UHFFFAOYSA-N -1 0 349.374 3.922 20 0 EHADRM CCSc1ccccc1C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908338282 981302959 /nfs/dbraw/zinc/30/29/59/981302959.db2.gz ICYMUSQFTVZDFG-UHFFFAOYSA-N -1 0 335.469 3.954 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCC1CC1)c1ccc(C(F)(F)F)cc1 ZINC000908412878 981313758 /nfs/dbraw/zinc/31/37/58/981313758.db2.gz VYYBKNXMHBXWGV-CYBMUJFWSA-N -1 0 329.318 3.528 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(C(=O)c1ccc(C3CCCC3)cc1)CC2 ZINC000908652748 981334648 /nfs/dbraw/zinc/33/46/48/981334648.db2.gz PSLXREYNJFNXCI-KRWDZBQOSA-N -1 0 327.424 3.671 20 0 EHADRM CC/C=C\CCS[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001595520785 981336865 /nfs/dbraw/zinc/33/68/65/981336865.db2.gz KBUCITYLLBZJKT-MVZIDQBPSA-N -1 0 325.455 3.641 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@H]3CCSc4ccccc43)(CC1)CC2 ZINC000908699467 981341679 /nfs/dbraw/zinc/34/16/79/981341679.db2.gz LKPRBPQQFHGCPS-YCMKEVRSSA-N -1 0 345.464 3.765 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000908737218 981350463 /nfs/dbraw/zinc/35/04/63/981350463.db2.gz AQDBVIVCQPAARW-IBGZPJMESA-N -1 0 341.407 3.958 20 0 EHADRM CC(C)OCc1cccc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)c1 ZINC000908763204 981356880 /nfs/dbraw/zinc/35/68/80/981356880.db2.gz NYYRFJODMLFWSY-UHFFFAOYSA-N -1 0 331.412 3.585 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1C ZINC000908806762 981365964 /nfs/dbraw/zinc/36/59/64/981365964.db2.gz JYQCGEVCBFTGFB-VMEOHVCESA-N -1 0 329.440 3.906 20 0 EHADRM CC(C)(CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2)c1cccc(F)c1 ZINC000908817062 981368109 /nfs/dbraw/zinc/36/81/09/981368109.db2.gz PICWABZMAZIWOW-UHFFFAOYSA-N -1 0 347.430 3.645 20 0 EHADRM CCC[C@@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-])c1ccccc1 ZINC001595535750 981377814 /nfs/dbraw/zinc/37/78/14/981377814.db2.gz GKLMIXZPEZEJNH-QZTJIDSGSA-N -1 0 343.398 3.522 20 0 EHADRM CCC[C@H](C(=O)Nc1sc(C)c(C)c1C(=O)[O-])c1ccccn1 ZINC001595537519 981387901 /nfs/dbraw/zinc/38/79/01/981387901.db2.gz LSAHMPNMSLXTPT-LBPRGKRZSA-N -1 0 332.425 3.981 20 0 EHADRM CCC[C@](C)(NC(=O)Nc1ccc(C(=O)[O-])nc1)c1ccccc1 ZINC001595546734 981414104 /nfs/dbraw/zinc/41/41/04/981414104.db2.gz JPHVLZQXJNZSRW-SFHVURJKSA-N -1 0 327.384 3.617 20 0 EHADRM CCC[C@](C)(NC(=O)c1ccc(-c2csc(C)n2)s1)C(=O)[O-] ZINC001595552962 981425665 /nfs/dbraw/zinc/42/56/65/981425665.db2.gz CJRCHRLOVZBDIP-HNNXBMFYSA-N -1 0 338.454 3.553 20 0 EHADRM CC(C)c1ccc2occ(C(=O)NC3CCC(C(=O)[O-])CC3)c2c1 ZINC000909157232 981428133 /nfs/dbraw/zinc/42/81/33/981428133.db2.gz LDVZLTYIZBMXCO-UHFFFAOYSA-N -1 0 329.396 3.929 20 0 EHADRM CCC/C(C)=C/C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001595564896 981453734 /nfs/dbraw/zinc/45/37/34/981453734.db2.gz BOENEEDJGXURLC-VQHVLOKHSA-N -1 0 326.190 3.832 20 0 EHADRM CC(C)(C)OC1CC(CC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C1 ZINC000909290754 981461458 /nfs/dbraw/zinc/46/14/58/981461458.db2.gz XFQUDKHGVPWILD-UHFFFAOYSA-N -1 0 347.455 3.971 20 0 EHADRM Cc1ccc(NC(=O)CCc2ncc(C(C)(C)C)o2)cc1C(=O)[O-] ZINC000909295475 981462962 /nfs/dbraw/zinc/46/29/62/981462962.db2.gz UXCYLNDXKYLROE-UHFFFAOYSA-N -1 0 330.384 3.550 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc([C@H](C)C(F)(F)F)cc1 ZINC000909311775 981466764 /nfs/dbraw/zinc/46/67/64/981466764.db2.gz NTOPRGQRSIWZPE-MNOVXSKESA-N -1 0 331.334 3.678 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)C[C@@H]2C=CCCC2)cc1 ZINC000909325165 981468772 /nfs/dbraw/zinc/46/87/72/981468772.db2.gz IAPRMOFOHOQKLZ-CZUORRHYSA-N -1 0 333.453 3.787 20 0 EHADRM CCC[C@H](C)[C@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001595571059 981477542 /nfs/dbraw/zinc/47/75/42/981477542.db2.gz IDJYQNQKCXRCIH-SWLSCSKDSA-N -1 0 334.416 3.826 20 0 EHADRM Cc1cc(C)c(CCNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c(C)c1 ZINC000909403524 981485567 /nfs/dbraw/zinc/48/55/67/981485567.db2.gz UIYGYSMJGLMIMG-UHFFFAOYSA-N -1 0 343.467 3.696 20 0 EHADRM CCC[C@H](C)CCNC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001595573189 981487324 /nfs/dbraw/zinc/48/73/24/981487324.db2.gz JLFIPSFXNMDDTP-GOEBONIOSA-N -1 0 334.460 3.964 20 0 EHADRM Cc1nc2ccc(C(=O)N3CCC[C@@H](C(C)(C)C(=O)[O-])C3)cc2s1 ZINC000909494596 981510039 /nfs/dbraw/zinc/51/00/39/981510039.db2.gz BOSWGSOCUVOLGS-CYBMUJFWSA-N -1 0 346.452 3.568 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@H](c2ccncc2)C2CCCC2)cc1 ZINC000909505826 981514132 /nfs/dbraw/zinc/51/41/32/981514132.db2.gz JOMZLGFHSSFYID-IBGZPJMESA-N -1 0 338.407 3.621 20 0 EHADRM CCCC(CCC)C(=O)N[C@](C)(CC(=O)[O-])c1cccc(OC)c1 ZINC001595586852 981536828 /nfs/dbraw/zinc/53/68/28/981536828.db2.gz RUPIRCDFURFFPH-LJQANCHMSA-N -1 0 335.444 3.718 20 0 EHADRM CC(C)c1cc(Br)ccc1NC(=O)[C@@H](C)CC(=O)[O-] ZINC000909555386 981540028 /nfs/dbraw/zinc/54/00/28/981540028.db2.gz QEEOSLNTUXMEOP-VIFPVBQESA-N -1 0 328.206 3.622 20 0 EHADRM CCC[C@H](CC)[S@@](=O)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001595587327 981540418 /nfs/dbraw/zinc/54/04/18/981540418.db2.gz IZMYPXGFCUNKCX-WNSKOXEYSA-N -1 0 335.425 3.867 20 0 EHADRM COCc1cc(NC(=O)[C@@H](C)c2ccccc2C)cc(C(=O)[O-])c1 ZINC000909627792 981555843 /nfs/dbraw/zinc/55/58/43/981555843.db2.gz WMQNQEZKTCCIJV-ZDUSSCGKSA-N -1 0 327.380 3.582 20 0 EHADRM CCC[C@@H](Cc1ccccc1)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001595594083 981560255 /nfs/dbraw/zinc/56/02/55/981560255.db2.gz MDANTKPXXURQSK-KRWDZBQOSA-N -1 0 337.423 3.944 20 0 EHADRM CCC[C@H](NC(=O)/C=C\c1cc(C(=O)[O-])co1)c1ccc(F)cc1F ZINC001595598645 981568431 /nfs/dbraw/zinc/56/84/31/981568431.db2.gz MWMWBPJVYUJBCP-WRLNGNIRSA-N -1 0 349.333 3.927 20 0 EHADRM CCC[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1C)c1ccccn1 ZINC001595600335 981579078 /nfs/dbraw/zinc/57/90/78/981579078.db2.gz PBNVTVHORQUYNR-OAHLLOKOSA-N -1 0 345.374 3.890 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)c1ccccc1CCC(=O)[O-])C(F)(F)F ZINC000909729179 981582722 /nfs/dbraw/zinc/58/27/22/981582722.db2.gz IJSMCVRJGLLQED-CYBMUJFWSA-N -1 0 345.361 3.801 20 0 EHADRM CC(C)(CCNC(=O)c1ccc(NCc2ccsc2)cc1)C(=O)[O-] ZINC000909753155 981589748 /nfs/dbraw/zinc/58/97/48/981589748.db2.gz VYHMCQXNWHLSCO-UHFFFAOYSA-N -1 0 346.452 3.591 20 0 EHADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)CC(C)(C)Cc1ccc(Cl)cc1 ZINC000909804074 981633366 /nfs/dbraw/zinc/63/33/66/981633366.db2.gz AYJYYYRRRYYUFJ-SWLSCSKDSA-N -1 0 337.847 3.620 20 0 EHADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cccc(-c2c(F)cccc2F)c1 ZINC000909807282 981634854 /nfs/dbraw/zinc/63/48/54/981634854.db2.gz GQSORHLRAMQVJH-FZMZJTMJSA-N -1 0 345.345 3.567 20 0 EHADRM CCC[C@@]1(C)CCCN(C(=O)N[C@@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001595616451 981644044 /nfs/dbraw/zinc/64/40/44/981644044.db2.gz WIPVXUFNQUUPDC-ZBEGNZNMSA-N -1 0 339.461 3.514 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2ccc(OC(C)(C)C)cn2)cc1 ZINC000909835649 981655136 /nfs/dbraw/zinc/65/51/36/981655136.db2.gz HTXFWEMIKNPFMM-GFCCVEGCSA-N -1 0 342.395 3.699 20 0 EHADRM CCC[C@H]1[C@H](C)CCCN1C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001595620226 981687007 /nfs/dbraw/zinc/68/70/07/981687007.db2.gz ZXUMCOQPDCQELX-PBHICJAKSA-N -1 0 342.439 3.767 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)Nc1nc(-c2ccc(F)c(Cl)c2)cs1 ZINC001594762308 981697950 /nfs/dbraw/zinc/69/79/50/981697950.db2.gz SYDKMIDSDPCGDT-QMMMGPOBSA-N -1 0 342.779 3.652 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1 ZINC001594762659 981699274 /nfs/dbraw/zinc/69/92/74/981699274.db2.gz ZCPXRFKDUZMZOT-GFCCVEGCSA-N -1 0 332.425 3.785 20 0 EHADRM CCC[C@@H]1CCC[C@@H]1C(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001595621370 981699614 /nfs/dbraw/zinc/69/96/14/981699614.db2.gz HFVKKESDBZBXJQ-COXVUDFISA-N -1 0 343.423 3.761 20 0 EHADRM CC(C)c1ccc2occ(C(=O)N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)c2c1 ZINC000909904512 981700334 /nfs/dbraw/zinc/70/03/34/981700334.db2.gz XCVVQADAEVBCNP-JKSUJKDBSA-N -1 0 341.407 3.739 20 0 EHADRM CCC[C@@H]1CCCC[C@@H]1CNC(=O)NCc1cc(C)c(C(=O)[O-])o1 ZINC001595621812 981703680 /nfs/dbraw/zinc/70/36/80/981703680.db2.gz PDIGAYFLAQNUSZ-ZIAGYGMSSA-N -1 0 336.432 3.692 20 0 EHADRM CCCC[C@H](C(=O)NC[C@](CC)(C(=O)[O-])c1ccccc1)C(C)C ZINC001595627498 981773080 /nfs/dbraw/zinc/77/30/80/981773080.db2.gz HXGSWGPPNLJXHI-PXNSSMCTSA-N -1 0 333.472 3.998 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)C/C=C\c1ccc(C)cc1 ZINC001594780844 981785931 /nfs/dbraw/zinc/78/59/31/981785931.db2.gz IAGVSZJPWAZOMG-PRPIBZDOSA-N -1 0 329.440 3.890 20 0 EHADRM CCCC[C@H](C(=O)[O-])n1cc(C(C)(C)OCc2ccccc2)nn1 ZINC001595630018 981812461 /nfs/dbraw/zinc/81/24/61/981812461.db2.gz SXCWNSCGLRBEBJ-OAHLLOKOSA-N -1 0 331.416 3.546 20 0 EHADRM CCCC[C@@H](CC)C(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC001595631973 981847352 /nfs/dbraw/zinc/84/73/52/981847352.db2.gz MFEYMJFULYRTAV-CQSZACIVSA-N -1 0 325.836 3.970 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cc(C(C)(C)C)oc1C ZINC001594791456 981851127 /nfs/dbraw/zinc/85/11/27/981851127.db2.gz JLMVBFMSGRPXBU-LJQANCHMSA-N -1 0 335.444 3.991 20 0 EHADRM CCCC[C@H](CCC)CNC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001595633023 981864366 /nfs/dbraw/zinc/86/43/66/981864366.db2.gz ZRQYIZFAGZIRHF-RIFZZMRRSA-N -1 0 331.456 3.968 20 0 EHADRM CN(CCC1CC1)C(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000154000494 1014775621 /nfs/dbraw/zinc/77/56/21/1014775621.db2.gz WFHUMMACELRXOT-UHFFFAOYSA-N -1 0 332.625 3.680 20 0 EHADRM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)CC1 ZINC001594796496 981877798 /nfs/dbraw/zinc/87/77/98/981877798.db2.gz BAVQYSIBBUHJMK-PAMUITKKSA-N -1 0 335.488 3.941 20 0 EHADRM CCCC[C@H](NC(=O)C(C)(C)c1ccc(Cl)cc1F)C(=O)[O-] ZINC001595634092 981881627 /nfs/dbraw/zinc/88/16/27/981881627.db2.gz GKNJSXAMLWRJGC-ZDUSSCGKSA-N -1 0 329.799 3.516 20 0 EHADRM CCCC[C@@H](NC(=O)[C@@H](C)Oc1cc(C(C)C)ccc1C)C(=O)[O-] ZINC001595634155 981882946 /nfs/dbraw/zinc/88/29/46/981882946.db2.gz JJFWPYOMALTKNP-GDBMZVCRSA-N -1 0 335.444 3.645 20 0 EHADRM CCC(C)(C)CCNC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001594800745 981889580 /nfs/dbraw/zinc/88/95/80/981889580.db2.gz HRZXGZMYVFZCNO-UHFFFAOYSA-N -1 0 342.233 3.703 20 0 EHADRM Cc1ccc(CCC(=O)N[C@@H](CC(=O)[O-])c2cccc(C)c2)s1 ZINC000910367458 981897719 /nfs/dbraw/zinc/89/77/19/981897719.db2.gz HZFRGSFIQHNZHR-INIZCTEOSA-N -1 0 331.437 3.630 20 0 EHADRM CCC(C)(C)OCC(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001594808532 981919779 /nfs/dbraw/zinc/91/97/79/981919779.db2.gz PEMLTFQNCPSLOB-CYBMUJFWSA-N -1 0 348.317 3.737 20 0 EHADRM CCCC[C@H](NC(=O)c1cc(OCc2ccccc2)cs1)C(=O)[O-] ZINC001595636690 981920806 /nfs/dbraw/zinc/92/08/06/981920806.db2.gz KJJPMBYMGAQZOW-HNNXBMFYSA-N -1 0 347.436 3.700 20 0 EHADRM CCC(C)(C)CC(=O)OCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001594809573 981927877 /nfs/dbraw/zinc/92/78/77/981927877.db2.gz ZWCSRASIFLOORX-UHFFFAOYSA-N -1 0 331.368 3.909 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)[C@H]2CCCc3ccccc32)c2ccccc21 ZINC000910475612 981951978 /nfs/dbraw/zinc/95/19/78/981951978.db2.gz LAEBNCYESKRDRV-OTWHNJEPSA-N -1 0 335.403 3.536 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1nc(-c2ccccc2)oc1C(C)C ZINC001594823664 981977208 /nfs/dbraw/zinc/97/72/08/981977208.db2.gz JGSHEHYBWPBGPE-LJQANCHMSA-N -1 0 344.411 3.838 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cccn1[C@@H](C)Cc1ccccc1 ZINC001594823847 981978371 /nfs/dbraw/zinc/97/83/71/981978371.db2.gz NCTRAXHAZZUPMI-YWZLYKJASA-N -1 0 342.439 3.665 20 0 EHADRM C[C@@H]1CCN(C(=O)CCc2ccccc2C(=O)[O-])[C@@H]1c1ccccc1 ZINC000910544528 981988132 /nfs/dbraw/zinc/98/81/32/981988132.db2.gz JDJJASISWIZZSN-QRWLVFNGSA-N -1 0 337.419 3.927 20 0 EHADRM CCC(C)(CC)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001594829189 982003163 /nfs/dbraw/zinc/00/31/63/982003163.db2.gz BXWBCUWAZSXUER-UHFFFAOYSA-N -1 0 328.206 3.912 20 0 EHADRM CCCC[C@@H](S[C@@H](C)C(=O)NCc1ccccc1Cl)C(=O)[O-] ZINC001595650989 982015348 /nfs/dbraw/zinc/01/53/48/982015348.db2.gz ARTHNBSUMFHHJI-SMDDNHRTSA-N -1 0 343.876 3.721 20 0 EHADRM CCCC[C@@H](S[C@@H](C)C(=O)Nc1ccccc1OCC)C(=O)[O-] ZINC001595651960 982028805 /nfs/dbraw/zinc/02/88/05/982028805.db2.gz MZUFVVYGEQFEPG-SWLSCSKDSA-N -1 0 339.457 3.789 20 0 EHADRM CCCC[C@@H](S[C@@H](Cc1ccc(Cl)cc1)C(=O)OC)C(=O)[O-] ZINC001595652292 982033675 /nfs/dbraw/zinc/03/36/75/982033675.db2.gz RWTLVTMAVZFQMH-KGLIPLIRSA-N -1 0 344.860 3.801 20 0 EHADRM CCCC[C@@H](S[C@@H](C)C(=O)N(C)Cc1ccccc1C)C(=O)[O-] ZINC001595652405 982034061 /nfs/dbraw/zinc/03/40/61/982034061.db2.gz TYXLFWXQFGLFTP-GOEBONIOSA-N -1 0 337.485 3.719 20 0 EHADRM CCCC[C@H](S[C@@H](C(=O)N1CCCC[C@@H]1C)C(C)C)C(=O)[O-] ZINC001595652786 982037158 /nfs/dbraw/zinc/03/71/58/982037158.db2.gz XLOFGDLEZPWYMN-SOUVJXGZSA-N -1 0 329.506 3.789 20 0 EHADRM O=C([O-])CCc1csc(NC(=O)c2ccc(C3CCC3)cc2)n1 ZINC000910645161 982038107 /nfs/dbraw/zinc/03/81/07/982038107.db2.gz BXHODPIIAZZKKC-UHFFFAOYSA-N -1 0 330.409 3.680 20 0 EHADRM O=C([O-])CCc1csc(NC(=O)CCCCc2ccccc2)n1 ZINC000910648182 982040055 /nfs/dbraw/zinc/04/00/55/982040055.db2.gz HPGUNQVRMCXLOD-UHFFFAOYSA-N -1 0 332.425 3.512 20 0 EHADRM O=C([O-])c1cncc(C(=O)Nc2ncc(C3CCCCC3)s2)c1 ZINC000910652470 982042422 /nfs/dbraw/zinc/04/24/22/982042422.db2.gz YNLHEYDGUJMHLP-UHFFFAOYSA-N -1 0 331.397 3.536 20 0 EHADRM CC(C)CCn1ncc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1C(C)C ZINC000910657469 982045584 /nfs/dbraw/zinc/04/55/84/982045584.db2.gz ZNNGOVBAPYGCLY-LSDHHAIUSA-N -1 0 349.475 3.882 20 0 EHADRM CCCC[C@@H](SCC1CCN(C(=O)C(C)(C)C)CC1)C(=O)[O-] ZINC001595656115 982050419 /nfs/dbraw/zinc/05/04/19/982050419.db2.gz UHGVWIKEAWAQRQ-CQSZACIVSA-N -1 0 329.506 3.648 20 0 EHADRM CC[C@](C)(NC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001594841288 982053004 /nfs/dbraw/zinc/05/30/04/982053004.db2.gz BLUKRASRVNBOAO-GTNSWQLSSA-N -1 0 347.440 3.527 20 0 EHADRM CC(C)c1ncc(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)s1 ZINC000910698020 982068815 /nfs/dbraw/zinc/06/88/15/982068815.db2.gz YPHNTNAVFYBORG-UHFFFAOYSA-N -1 0 339.442 3.797 20 0 EHADRM CCCC[C@@H]1CCC[C@@H]1NC(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC001595660660 982072625 /nfs/dbraw/zinc/07/26/25/982072625.db2.gz LQWHLDPUVNUMFK-KDOFPFPSSA-N -1 0 344.455 3.811 20 0 EHADRM CCC(CC)[C@@H](C)C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910717640 982079830 /nfs/dbraw/zinc/07/98/30/982079830.db2.gz FAYSCSBPOFVFGS-ZWNOBZJWSA-N -1 0 338.473 3.886 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)[C@H]2CC[C@H](C)CC2)nc1C(=O)[O-] ZINC000910718078 982079947 /nfs/dbraw/zinc/07/99/47/982079947.db2.gz HHCDDPAPNBVSFA-RAIGVLPGSA-N -1 0 336.457 3.640 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)/C=C\C2CCCCC2)nc1C(=O)[O-] ZINC000910726977 982090804 /nfs/dbraw/zinc/09/08/04/982090804.db2.gz LYNDMZVDYVQHJR-CMUBDUJZSA-N -1 0 348.468 3.950 20 0 EHADRM CC[C@@H](CC(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1)C(C)C ZINC000910735651 982098040 /nfs/dbraw/zinc/09/80/40/982098040.db2.gz ZEQKORHKOGCJGS-QWHCGFSZSA-N -1 0 338.473 3.886 20 0 EHADRM O=C([O-])c1nc(NC(=O)c2ccccc2OC2CC2)sc1C1CC1 ZINC000910741514 982103649 /nfs/dbraw/zinc/10/36/49/982103649.db2.gz VISQIKCCJGHHAW-UHFFFAOYSA-N -1 0 344.392 3.512 20 0 EHADRM CCCCC[C@H](C)CC(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001595666604 982106067 /nfs/dbraw/zinc/10/60/67/982106067.db2.gz OXLCDVWVSXVKCX-JXFKEZNVSA-N -1 0 331.456 3.848 20 0 EHADRM CCCCC[C@H](C)NC(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001595666844 982108086 /nfs/dbraw/zinc/10/80/86/982108086.db2.gz USPATROMMFRDTQ-LBPRGKRZSA-N -1 0 336.407 3.560 20 0 EHADRM CCCCC[C@H](NC(=O)C1(Cc2ccccc2Cl)CC1)C(=O)[O-] ZINC001595670686 982120069 /nfs/dbraw/zinc/12/00/69/982120069.db2.gz UAPGEKRMWFVRAT-HNNXBMFYSA-N -1 0 337.847 3.812 20 0 EHADRM CCCCCC(CCCCC)NC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001595670681 982120123 /nfs/dbraw/zinc/12/01/23/982120123.db2.gz SVAZIXRPUUYENP-GDBMZVCRSA-N -1 0 326.481 3.878 20 0 EHADRM CCCCC[C@@H](CC)C(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001595670993 982122178 /nfs/dbraw/zinc/12/21/78/982122178.db2.gz WVXPKFWFJKCTMM-GBRKPNRJSA-N -1 0 341.517 3.838 20 0 EHADRM Cc1cc2occ(CC(=O)NC3CC(CC(=O)[O-])C3)c2cc1C(C)C ZINC000910812391 982133340 /nfs/dbraw/zinc/13/33/40/982133340.db2.gz HPCFBSQSFCTNMY-UHFFFAOYSA-N -1 0 343.423 3.777 20 0 EHADRM CCCCC[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)n1C)C(=O)[O-] ZINC001595676521 982146996 /nfs/dbraw/zinc/14/69/96/982146996.db2.gz LPKPCVUVNSGINA-HNNXBMFYSA-N -1 0 346.402 3.595 20 0 EHADRM C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000910936242 982169884 /nfs/dbraw/zinc/16/98/84/982169884.db2.gz RBIWZXGZYCJQBX-PKQLUBGUSA-N -1 0 339.391 3.786 20 0 EHADRM CSc1ccc(NC(=O)CO[C@H]2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC000910948912 982173654 /nfs/dbraw/zinc/17/36/54/982173654.db2.gz BOGXGUMAYOWNFP-YPMHNXCESA-N -1 0 337.441 3.641 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1CCN(C)c2ccccc21 ZINC000910958999 982178013 /nfs/dbraw/zinc/17/80/13/982178013.db2.gz OIGFXTUIBLZPIP-MRXNPFEDSA-N -1 0 338.407 3.509 20 0 EHADRM CCCCC[C@H]1CCCN1C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001595691098 982204910 /nfs/dbraw/zinc/20/49/10/982204910.db2.gz ZLKURHFRVDUXPD-AWEZNQCLSA-N -1 0 342.439 3.980 20 0 EHADRM Cc1cc(NC(=O)[C@H]2SCCc3sccc32)cc(C(=O)[O-])c1 ZINC000911070651 982225344 /nfs/dbraw/zinc/22/53/44/982225344.db2.gz HNBUQHRSPLSSBW-AWEZNQCLSA-N -1 0 333.434 3.724 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccccc2Oc2ccccn2)C1 ZINC000911082943 982229377 /nfs/dbraw/zinc/22/93/77/982229377.db2.gz PPECHNIHAGZDJS-ZIAGYGMSSA-N -1 0 340.379 3.703 20 0 EHADRM CC[C@@H](C)[C@H](C)C(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001594881007 982233426 /nfs/dbraw/zinc/23/34/26/982233426.db2.gz KOPNQEMVHQFBSK-BDAKNGLRSA-N -1 0 328.206 3.768 20 0 EHADRM CCCCCC[C@H](C)CC(=O)N1Cc2cc(O)ccc2C[C@@H]1C(=O)[O-] ZINC001595697998 982247441 /nfs/dbraw/zinc/24/74/41/982247441.db2.gz OXFOJQIQFNPDKL-KBXCAEBGSA-N -1 0 347.455 3.727 20 0 EHADRM O=C([O-])c1coc(C(=O)Nc2ccc(N3CCCCCC3)cc2)c1 ZINC000911120264 982248265 /nfs/dbraw/zinc/24/82/65/982248265.db2.gz MHDNTXCLSQTNFI-UHFFFAOYSA-N -1 0 328.368 3.611 20 0 EHADRM CCCCCC[C@H](C)CC(=O)N1CCc2ccc(C(=O)[O-])nc2C1 ZINC001595698233 982249554 /nfs/dbraw/zinc/24/95/54/982249554.db2.gz POYFCUHDNYTYIN-AWEZNQCLSA-N -1 0 332.444 3.661 20 0 EHADRM CCCCCC[C@@H](O)CCC(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC001595703289 982268353 /nfs/dbraw/zinc/26/83/53/982268353.db2.gz SOJCCBDEHNAMEY-HZPDHXFCSA-N -1 0 347.455 3.703 20 0 EHADRM CCCCCCO[C@H](C)C(=O)Nc1ncc(C(=O)[O-])c2ccccc21 ZINC001595710404 982294203 /nfs/dbraw/zinc/29/42/03/982294203.db2.gz GTNNCTSKWHUODE-CYBMUJFWSA-N -1 0 344.411 3.857 20 0 EHADRM CCCCCCO[C@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC001595710930 982296680 /nfs/dbraw/zinc/29/66/80/982296680.db2.gz OMCNTPNBUCITPW-WBVHZDCISA-N -1 0 335.444 3.531 20 0 EHADRM CCCCCCOCC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001595711572 982300368 /nfs/dbraw/zinc/30/03/68/982300368.db2.gz XASZWPFZNVKIDJ-UHFFFAOYSA-N -1 0 331.771 3.713 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N2CCCCC[C@@H]2c2ccncc2)o1 ZINC000911235024 982306277 /nfs/dbraw/zinc/30/62/77/982306277.db2.gz VDKQGBLKILHAKT-IQIBNGDESA-N -1 0 340.379 3.530 20 0 EHADRM CCCCCN(C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2)C(C)C ZINC001595715431 982314333 /nfs/dbraw/zinc/31/43/33/982314333.db2.gz UJYRCKJQCDZXAP-UHFFFAOYSA-N -1 0 336.388 3.546 20 0 EHADRM Cn1ccc2ccc(NC(=O)C34CCC(C(=O)[O-])(CC3)CC4)cc21 ZINC000911253585 982316713 /nfs/dbraw/zinc/31/67/13/982316713.db2.gz DWFKQOHSXJGSLN-UHFFFAOYSA-N -1 0 326.396 3.542 20 0 EHADRM CCCCCOc1ccc(C(=O)N([C@@H](C)C(=O)[O-])C2CCC2)cc1 ZINC001595721673 982337326 /nfs/dbraw/zinc/33/73/26/982337326.db2.gz QWDRGWXPYKCVJP-AWEZNQCLSA-N -1 0 333.428 3.723 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)c1ccc2c(c1)oc1ccccc12)C(=O)[O-] ZINC001594912107 982420339 /nfs/dbraw/zinc/42/03/39/982420339.db2.gz GSOKXTCHHOAKMG-APPDUMDISA-N -1 0 325.364 3.815 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)c1cccc2c1ccn2CC(C)C)C(=O)[O-] ZINC001594912403 982422629 /nfs/dbraw/zinc/42/26/29/982422629.db2.gz KFAWMIGWOBYALO-CXAGYDPISA-N -1 0 330.428 3.526 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)[O-] ZINC001594912776 982425534 /nfs/dbraw/zinc/42/55/34/982425534.db2.gz UJLFONLVHKQRPE-CPCISQLKSA-N -1 0 337.725 3.588 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)c1ccc(OCC2CCCCC2)cc1)C(=O)[O-] ZINC001594913057 982428112 /nfs/dbraw/zinc/42/81/12/982428112.db2.gz WXBJRXDZONVACC-KDOFPFPSSA-N -1 0 347.455 3.875 20 0 EHADRM Cc1cc(NC(=O)c2ccccc2CCC(=O)[O-])c(C)c(C)c1O ZINC000911429890 982429944 /nfs/dbraw/zinc/42/99/44/982429944.db2.gz XZWMUDUJJJCQJW-UHFFFAOYSA-N -1 0 327.380 3.587 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)c1sc(C2CCCCC2)nc1C)C(=O)[O-] ZINC001594913678 982431135 /nfs/dbraw/zinc/43/11/35/982431135.db2.gz YUKOMOGAGIVYJY-ZWNOBZJWSA-N -1 0 338.473 3.728 20 0 EHADRM COc1cc(Cl)c(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)cc1C ZINC000911467804 982446752 /nfs/dbraw/zinc/44/67/52/982446752.db2.gz UYFOPAWHQZZJCK-UHFFFAOYSA-N -1 0 337.803 3.631 20 0 EHADRM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C12CC(C(=O)[O-])(C1)C2 ZINC000911493298 982454239 /nfs/dbraw/zinc/45/42/39/982454239.db2.gz LPLMBYMXJLQKPH-JAGHRAMZSA-N -1 0 342.439 3.567 20 0 EHADRM CC[C@H](C)[C@H](Nc1ccc(NC(=O)c2ccco2)c(C)c1)C(=O)[O-] ZINC001594920050 982460974 /nfs/dbraw/zinc/46/09/74/982460974.db2.gz GVNZWAAKIKXVQA-ZBEGNZNMSA-N -1 0 330.384 3.752 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CCC[C@H]1c1ccc(F)cc1F ZINC000911545134 982487566 /nfs/dbraw/zinc/48/75/66/982487566.db2.gz OAGSOOPKVSOVMG-ZDUSSCGKSA-N -1 0 335.306 3.542 20 0 EHADRM CCCCO[C@H](C)C(=O)Nc1cc(C(=O)[O-])cc(Cl)c1Cl ZINC001595765340 982490216 /nfs/dbraw/zinc/49/02/16/982490216.db2.gz MNYKWZCOEYHENL-MRVPVSSYSA-N -1 0 334.199 3.835 20 0 EHADRM CCC(CC)[C@H](C)C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000911599334 982532428 /nfs/dbraw/zinc/53/24/28/982532428.db2.gz QFLGKDGFSHWHTE-AWEZNQCLSA-N -1 0 346.471 3.860 20 0 EHADRM CC[C@@H](C)[C@@H](Sc1nnc(COc2ccc(C)cc2)o1)C(=O)[O-] ZINC001594928658 982540958 /nfs/dbraw/zinc/54/09/58/982540958.db2.gz LMZIKMBKVVVVJM-BXUZGUMPSA-N -1 0 336.413 3.548 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)CCOc1ccc(C(C)C)cc1)C(=O)[O-] ZINC001594939573 982611429 /nfs/dbraw/zinc/61/14/29/982611429.db2.gz UJHHUVAWCLNJGK-WMLDXEAASA-N -1 0 335.444 3.585 20 0 EHADRM CC(C)Oc1c(NC(=O)C2C[C@H]3CC[C@@H](C2)S3)cccc1C(=O)[O-] ZINC000911733442 982617705 /nfs/dbraw/zinc/61/77/05/982617705.db2.gz YNNPZWFSULAEJK-YHWZYXNKSA-N -1 0 349.452 3.785 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)c1cc2c(ccc3ccccc23)[nH]1)C(=O)[O-] ZINC001594944661 982627744 /nfs/dbraw/zinc/62/77/44/982627744.db2.gz HNIPCVDTZGUFGX-KZULUSFZSA-N -1 0 338.407 3.940 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)c1ccc(OC(F)(F)F)c(C)c1)C(=O)[O-] ZINC001594945322 982632725 /nfs/dbraw/zinc/63/27/25/982632725.db2.gz BBOAGRFIWBUNDV-CABZTGNLSA-N -1 0 347.333 3.513 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)c1ccc(-c2csc(C)n2)cc1)C(=O)[O-] ZINC001594945898 982636877 /nfs/dbraw/zinc/63/68/77/982636877.db2.gz IITLRFRVZNKILJ-IAQYHMDHSA-N -1 0 346.452 3.738 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)c1ccc(Oc2ccccc2)o1)C(=O)[O-] ZINC001594946149 982639394 /nfs/dbraw/zinc/63/93/94/982639394.db2.gz LKKRDPLJWYSKJC-OCCSQVGLSA-N -1 0 331.368 3.691 20 0 EHADRM CC(C)Cc1ccc(CC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000914729403 982655675 /nfs/dbraw/zinc/65/56/75/982655675.db2.gz RHIRBIGKCZPSOS-UHFFFAOYSA-N -1 0 329.371 3.904 20 0 EHADRM CCCCN(C(=O)c1ccc(C(=O)[O-])cn1)[C@@H](C)c1ccc(C)o1 ZINC000914840732 982660669 /nfs/dbraw/zinc/66/06/69/982660669.db2.gz QMBYMXLUYPIWML-ZDUSSCGKSA-N -1 0 330.384 3.685 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(Cl)c2-n2cccn2)s1 ZINC000916507820 982676484 /nfs/dbraw/zinc/67/64/84/982676484.db2.gz KGKALJKPJWAGAT-UHFFFAOYSA-N -1 0 347.783 3.538 20 0 EHADRM CC[C@H](C)CCC(=O)N[C@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC001594956120 982687356 /nfs/dbraw/zinc/68/73/56/982687356.db2.gz BKJAETIMXRMWEI-HZMBPMFUSA-N -1 0 347.333 3.653 20 0 EHADRM CCCN(C(=O)N[C@H]1CC=C(C(=O)[O-])C1)[C@H](CC)c1ccccc1 ZINC001595821289 982688742 /nfs/dbraw/zinc/68/87/42/982688742.db2.gz KDPXHTHXHNEXJU-DLBZAZTESA-N -1 0 330.428 3.733 20 0 EHADRM CCCN(C(=O)[C@H]1CCCC[C@H]1C(=O)[O-])[C@H](C)c1ccccc1OC ZINC001595823019 982696254 /nfs/dbraw/zinc/69/62/54/982696254.db2.gz PKSOQRXNRXWWQO-HYVNUMGLSA-N -1 0 347.455 3.886 20 0 EHADRM CCCN(C)C(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001595837237 982747508 /nfs/dbraw/zinc/74/75/08/982747508.db2.gz YOEDCJWWORBGNW-UHFFFAOYSA-N -1 0 330.837 3.781 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cccn1[C@@H](C)Cc1ccccc1 ZINC001594977277 982755739 /nfs/dbraw/zinc/75/57/39/982755739.db2.gz IOVCQOTWYYFCLT-HOTGVXAUSA-N -1 0 342.439 3.617 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC001594977576 982757003 /nfs/dbraw/zinc/75/70/03/982757003.db2.gz WCQUSVNVIYTXKJ-ZDUSSCGKSA-N -1 0 342.439 3.762 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1sc(C2CCCCC2)nc1C ZINC001594978178 982758927 /nfs/dbraw/zinc/75/89/27/982758927.db2.gz JOEOAFFDHOZCPB-NSHDSACASA-N -1 0 338.473 3.825 20 0 EHADRM CCCN(C)c1ccc(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])cc1 ZINC001595840192 982759724 /nfs/dbraw/zinc/75/97/24/982759724.db2.gz SQAHFKWEXOASQM-UHFFFAOYSA-N -1 0 348.487 3.742 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2ccc(-c3ccon3)cc2)CCCC1 ZINC000923217805 982848749 /nfs/dbraw/zinc/84/87/49/982848749.db2.gz HJSXXQSEWIILCP-UHFFFAOYSA-N -1 0 328.368 3.705 20 0 EHADRM Cc1ccc(Cl)c(NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1C ZINC000926106765 982872018 /nfs/dbraw/zinc/87/20/18/982872018.db2.gz GIJFZBSCKZPKOS-QWHCGFSZSA-N -1 0 336.819 3.531 20 0 EHADRM CCCN(CCC)c1ccc(NC(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)cc1 ZINC001595879198 982878143 /nfs/dbraw/zinc/87/81/43/982878143.db2.gz ICZIEOKFIAMFHI-WMLDXEAASA-N -1 0 347.459 3.640 20 0 EHADRM CCCN(Cc1cc(C(=O)[O-])co1)[C@H](C)C(=O)Nc1ccccc1C ZINC001595885808 982909600 /nfs/dbraw/zinc/90/96/00/982909600.db2.gz HLXSGUDVAMJNRZ-CQSZACIVSA-N -1 0 344.411 3.525 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001595004146 982916761 /nfs/dbraw/zinc/91/67/61/982916761.db2.gz HJOPTUQHLFPZDV-XPSMFNQNSA-N -1 0 342.395 3.553 20 0 EHADRM CCCN(Cc1ccccc1F)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001595890755 982922228 /nfs/dbraw/zinc/92/22/28/982922228.db2.gz CKEKDYMKYCVBEW-CSKARUKUSA-N -1 0 331.343 3.569 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C\C(=O)N(C)C1(C(=O)[O-])CCCC1 ZINC001595006008 982922470 /nfs/dbraw/zinc/92/24/70/982922470.db2.gz UVFBQGFVRXSQSF-QYMJWVLRSA-N -1 0 345.439 3.733 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2CCCc3ccccc32)cc1 ZINC001116300033 982926736 /nfs/dbraw/zinc/92/67/36/982926736.db2.gz GVTMUSHRPRXEKW-OALUTQOASA-N -1 0 337.419 3.747 20 0 EHADRM Cc1ccc2c(c1)S[C@H](C(=O)Nc1ccc(C(=O)[O-])c(C)c1)C2 ZINC001116398616 982929839 /nfs/dbraw/zinc/92/98/39/982929839.db2.gz KFLJRISTFDOWIA-INIZCTEOSA-N -1 0 327.405 3.657 20 0 EHADRM Cc1ccc2c(c1)S[C@@H](C(=O)Nc1ccc(C(=O)[O-])c(C)c1)C2 ZINC001116398617 982930158 /nfs/dbraw/zinc/93/01/58/982930158.db2.gz KFLJRISTFDOWIA-MRXNPFEDSA-N -1 0 327.405 3.657 20 0 EHADRM CC[C@H](C)Oc1ccc(NC(=O)NCc2cc(C(=O)[O-])c(C)o2)cc1 ZINC001595008871 982930339 /nfs/dbraw/zinc/93/03/39/982930339.db2.gz SCOOCVYLLPCGLR-NSHDSACASA-N -1 0 346.383 3.785 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)nc2ccccc12 ZINC001116788890 982936266 /nfs/dbraw/zinc/93/62/66/982936266.db2.gz NFQJESYMZGHMPM-CQSZACIVSA-N -1 0 340.423 3.506 20 0 EHADRM CC[C@@H](C)c1ccc([C@@H](NC(=O)CC(=O)[O-])c2cccs2)cc1 ZINC001595009903 982937833 /nfs/dbraw/zinc/93/78/33/982937833.db2.gz LCTKDEJUZJJQPE-KZULUSFZSA-N -1 0 331.437 3.942 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)OCc1occc1C(=O)[O-] ZINC001595015173 982959519 /nfs/dbraw/zinc/95/95/19/982959519.db2.gz GGYAUSZJSLCQBO-LBPRGKRZSA-N -1 0 332.352 3.614 20 0 EHADRM CCCN1Cc2cccc(NC(=O)c3cc(F)cc(C(=O)[O-])c3)c2C1 ZINC001595915366 983013587 /nfs/dbraw/zinc/01/35/87/983013587.db2.gz JTAODHVTKWLGHH-UHFFFAOYSA-N -1 0 342.370 3.502 20 0 EHADRM CCCN1Cc2cccc(NC(=O)c3ccc(C)c(C(=O)[O-])c3)c2C1 ZINC001595915763 983019585 /nfs/dbraw/zinc/01/95/85/983019585.db2.gz YICJISOJFRYNAV-UHFFFAOYSA-N -1 0 338.407 3.671 20 0 EHADRM CCCNc1ccc(CNC(=O)CC2(CC(=O)[O-])CCCC2)cc1 ZINC001595936690 983077661 /nfs/dbraw/zinc/07/76/61/983077661.db2.gz LSKAJASOBNDOHS-UHFFFAOYSA-N -1 0 332.444 3.550 20 0 EHADRM CCCOC1(CNC(=O)c2ccc(C)c(C(=O)[O-])c2)CCCCC1 ZINC001595941365 983094331 /nfs/dbraw/zinc/09/43/31/983094331.db2.gz FGFZFPWDJMFWEM-UHFFFAOYSA-N -1 0 333.428 3.553 20 0 EHADRM O=C([O-])[C@@H](CC(=O)NCc1cc2ccccc2s1)c1ccccc1 ZINC000620149386 1125485914 /nfs/dbraw/zinc/48/59/14/1125485914.db2.gz JUOISXQUXMNEHQ-INIZCTEOSA-N -1 0 339.416 3.776 20 0 EHADRM CCCOc1ccc(-c2nnc(CC(C)(C)CC(=O)[O-])o2)cc1OC ZINC001595952817 983131413 /nfs/dbraw/zinc/13/14/13/983131413.db2.gz WUASOUSBLSPRNU-UHFFFAOYSA-N -1 0 348.399 3.577 20 0 EHADRM CCCOc1ccc(C(=O)Nc2cccc(F)c2C(=O)[O-])c(OC)c1 ZINC001595955096 983144160 /nfs/dbraw/zinc/14/41/60/983144160.db2.gz YSGYSZIAKJRTTH-UHFFFAOYSA-N -1 0 347.342 3.574 20 0 EHADRM CCCOc1ccc(NC(=O)c2ccc(/C=C\C(=O)[O-])o2)c(C)c1 ZINC001595961153 983156759 /nfs/dbraw/zinc/15/67/59/983156759.db2.gz TZCPXIJBSBXVHV-TWGQIWQCSA-N -1 0 329.352 3.727 20 0 EHADRM CCCc1c(C(=O)NC[C@@H]2CCC[C@H](C)[C@H]2C)[nH]c(C)c1C(=O)[O-] ZINC001596037200 983318085 /nfs/dbraw/zinc/31/80/85/983318085.db2.gz GSLFKDZUEMRKEF-SCRDCRAPSA-N -1 0 334.460 3.776 20 0 EHADRM CCCc1c(C(=O)NCC2CCC3(CC3)CC2)[nH]c(C)c1C(=O)[O-] ZINC001596037460 983320128 /nfs/dbraw/zinc/32/01/28/983320128.db2.gz NLAQYMHYYYXGTN-UHFFFAOYSA-N -1 0 332.444 3.674 20 0 EHADRM CCCc1cc(C(=O)N[C@H](C(=O)[O-])c2cccc(OC)c2)sc1C ZINC001596055819 983359458 /nfs/dbraw/zinc/35/94/58/983359458.db2.gz ZFUIRTPAUAXYAF-INIZCTEOSA-N -1 0 347.436 3.573 20 0 EHADRM CCCc1cc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2Cl)no1 ZINC001596057045 983363212 /nfs/dbraw/zinc/36/32/12/983363212.db2.gz UQTGKLRVHWMLON-UHFFFAOYSA-N -1 0 343.166 3.884 20 0 EHADRM CCCc1ccc([C@H](NC(=O)c2cc(C(=O)[O-])ccn2)C(C)C)cc1 ZINC001596062931 983373941 /nfs/dbraw/zinc/37/39/41/983373941.db2.gz NGVMYBRUIZVOET-GOSISDBHSA-N -1 0 340.423 3.859 20 0 EHADRM CCCc1ccccc1NC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001596070416 983385122 /nfs/dbraw/zinc/38/51/22/983385122.db2.gz BQNUXWBSEQLYEV-JTQLQIEISA-N -1 0 333.413 3.677 20 0 EHADRM CCCc1csc(NC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)n1 ZINC001596074670 983389215 /nfs/dbraw/zinc/38/92/15/983389215.db2.gz HLUXLWKHWAPVPI-JTQLQIEISA-N -1 0 333.413 3.928 20 0 EHADRM CCCc1nsc(N[C@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])n1 ZINC001596102571 983427702 /nfs/dbraw/zinc/42/77/02/983427702.db2.gz HMJGVDHRZPAHHU-DZGCQCFKSA-N -1 0 345.468 3.866 20 0 EHADRM CCN(C(=O)CC/C=C\c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001596133028 983480843 /nfs/dbraw/zinc/48/08/43/983480843.db2.gz APTYXNGSOHRYGF-POHAHGRESA-N -1 0 330.409 3.688 20 0 EHADRM CCN(C(=O)CCCc1ccc(C)s1)c1ncc(C(=O)[O-])s1 ZINC001596137623 983487152 /nfs/dbraw/zinc/48/71/52/983487152.db2.gz PHSYKZFTQTUKIF-UHFFFAOYSA-N -1 0 338.454 3.587 20 0 EHADRM CCN(C(=O)Cn1cc(C(=O)[O-])c2ccccc21)c1cccc(F)c1 ZINC001596147955 983503499 /nfs/dbraw/zinc/50/34/99/983503499.db2.gz MJQBSBSKXQQTDV-UHFFFAOYSA-N -1 0 340.354 3.532 20 0 EHADRM CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1OC)c1ccccc1C(=O)[O-] ZINC001596157231 983518068 /nfs/dbraw/zinc/51/80/68/983518068.db2.gz ZZUDDLDZIALRTR-JKSUJKDBSA-N -1 0 339.391 3.550 20 0 EHADRM CCN(C(=O)Nc1ccc(OCCC(=O)[O-])cc1)C1CC(C)(C)C1 ZINC001596158905 983522705 /nfs/dbraw/zinc/52/27/05/983522705.db2.gz VOCJETYFZDRMHT-UHFFFAOYSA-N -1 0 334.416 3.583 20 0 EHADRM CCN(CC1CCC1)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001596294346 983715695 /nfs/dbraw/zinc/71/56/95/983715695.db2.gz TUPUDJDGDBNIJF-UHFFFAOYSA-N -1 0 328.771 3.831 20 0 EHADRM CCN(CCSC)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001596347774 983800144 /nfs/dbraw/zinc/80/01/44/983800144.db2.gz PVNPQXMRRYCAHN-UHFFFAOYSA-N -1 0 332.425 3.755 20 0 EHADRM CCN(c1ccc(NC(=O)NCCC(C)(C)C(=O)[O-])cc1)C(C)C ZINC001596385567 983912681 /nfs/dbraw/zinc/91/26/81/983912681.db2.gz IEMSINWPLSULRU-UHFFFAOYSA-N -1 0 335.448 3.544 20 0 EHADRM CCOC(=O)/C(=C/c1cc(C(=O)[O-])ccc1Cl)c1ccnc(F)c1 ZINC001596509633 984273139 /nfs/dbraw/zinc/27/31/39/984273139.db2.gz SKXDGGWAJTZLQO-MDWZMJQESA-N -1 0 349.745 3.676 20 0 EHADRM C/C(=C/C(=O)N1CCCC[C@H]1c1ccc(C(=O)[O-])n1C)C(C)(C)C ZINC001588937848 984619827 /nfs/dbraw/zinc/61/98/27/984619827.db2.gz VNBYGNVCIPWHQQ-LLNWESEBSA-N -1 0 332.444 3.769 20 0 EHADRM C/C(=C\C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1)c1ccccc1 ZINC001588938331 984620873 /nfs/dbraw/zinc/62/08/73/984620873.db2.gz BZHYQUUAUCAZEU-FDPSAONLSA-N -1 0 329.440 3.877 20 0 EHADRM C/C(=C/C(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1)c1ccccc1C ZINC001588938401 984621422 /nfs/dbraw/zinc/62/14/22/984621422.db2.gz AIMFQJBJCVCYKY-WNJRYGEDSA-N -1 0 337.419 3.957 20 0 EHADRM C/C(=C/C(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F)c1ccccc1C ZINC001588939084 984626742 /nfs/dbraw/zinc/62/67/42/984626742.db2.gz LDDDWOIJMHSVSX-ZVBPTUHVSA-N -1 0 345.345 3.619 20 0 EHADRM C/C(=C/C(=O)N[C@H](CC(=O)[O-])c1cccc(C)c1)c1cccs1 ZINC001588939634 984630115 /nfs/dbraw/zinc/63/01/15/984630115.db2.gz QSWUGHGIAMKFQD-VSKPTYQZSA-N -1 0 329.421 3.792 20 0 EHADRM C/C(=C\C(=O)N[C@@H](C(=O)[O-])c1cc(C)cc(C)c1)c1ccc(F)cc1 ZINC001588939797 984631336 /nfs/dbraw/zinc/63/13/36/984631336.db2.gz SUPGVEPSUNNBME-FIIODCPWSA-N -1 0 341.382 3.788 20 0 EHADRM C/C(=C\C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1)c1cccs1 ZINC001588944068 984644161 /nfs/dbraw/zinc/64/41/61/984644161.db2.gz NNFHBQVURRGZBI-RJCSOLBVSA-N -1 0 349.383 3.781 20 0 EHADRM C/C(=C/C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1)c1cccs1 ZINC001588944066 984644450 /nfs/dbraw/zinc/64/44/50/984644450.db2.gz NNFHBQVURRGZBI-HIJJYWJESA-N -1 0 349.383 3.781 20 0 EHADRM C/C(=C\C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O)c1cccc(F)c1 ZINC001588944214 984645733 /nfs/dbraw/zinc/64/57/33/984645733.db2.gz SAKZKBPUBKZNRB-WEVVVXLNSA-N -1 0 349.745 3.925 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)Cc1cccc(C2CC2)c1 ZINC001599886956 984647894 /nfs/dbraw/zinc/64/78/94/984647894.db2.gz GEWVBHRUEWVIPP-OAHLLOKOSA-N -1 0 337.419 3.608 20 0 EHADRM C[C@H](CC(=O)[O-])OC(=O)c1ccc(-c2cccc3cccnc32)cc1 ZINC001599890220 984684580 /nfs/dbraw/zinc/68/45/80/984684580.db2.gz JZPOOKGXXSSNRQ-CYBMUJFWSA-N -1 0 335.359 3.922 20 0 EHADRM C/C(=C\C1CCC(C)CC1)C(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC001588956402 984703761 /nfs/dbraw/zinc/70/37/61/984703761.db2.gz NUYLPGMIVNHPHB-AKTKZZHVSA-N -1 0 333.403 3.840 20 0 EHADRM C[C@H](NC(=O)c1cccc(C(=O)[O-])n1)c1ccc(-c2ccccc2)cc1 ZINC001599900883 984822686 /nfs/dbraw/zinc/82/26/86/984822686.db2.gz SZDQTYNUEHFZDL-AWEZNQCLSA-N -1 0 346.386 3.938 20 0 EHADRM C[C@H](Nc1cncc(C(=O)[O-])n1)c1cc(Cl)ccc1OC(F)F ZINC001599902393 984862176 /nfs/dbraw/zinc/86/21/76/984862176.db2.gz BCTAMKAZRUIPCR-ZETCQYMHSA-N -1 0 343.717 3.603 20 0 EHADRM C[C@H](Nc1cc(CC(=O)[O-])ccn1)c1ccc(OC(F)(F)F)cc1 ZINC001599902672 984868263 /nfs/dbraw/zinc/86/82/63/984868263.db2.gz JZSQKKNQLMCCQH-JTQLQIEISA-N -1 0 340.301 3.780 20 0 EHADRM C/C(=C\c1c(Cl)cccc1Cl)C(=O)N[C@@H](CC1CC1)C(=O)[O-] ZINC001588995764 984928308 /nfs/dbraw/zinc/92/83/08/984928308.db2.gz RDJYCSWGNTXYIX-KGXGESDWSA-N -1 0 342.222 3.766 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC001588999363 984937962 /nfs/dbraw/zinc/93/79/62/984937962.db2.gz SUCOWNWFBXVWBT-ZRDIBKRKSA-N -1 0 325.339 3.517 20 0 EHADRM CCOC(=O)c1cc2cc(NC(=O)C[C@H](C)CC(=O)[O-])ccc2s1 ZINC001596715226 984945070 /nfs/dbraw/zinc/94/50/70/984945070.db2.gz SSODGFAZXDAMAE-JTQLQIEISA-N -1 0 349.408 3.517 20 0 EHADRM C[C@H]1CC[C@@](C)(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)C1(C)C ZINC001599907758 984945600 /nfs/dbraw/zinc/94/56/00/984945600.db2.gz DZNWAFPLPKDSMO-YPMLDQLKSA-N -1 0 329.400 3.662 20 0 EHADRM C[C@H]1CC[C@@](C)(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])C1(C)C ZINC001599907915 984947242 /nfs/dbraw/zinc/94/72/42/984947242.db2.gz HQZTZWXZHQUTJE-AGKSTNPPSA-N -1 0 349.446 3.648 20 0 EHADRM C/C(=C\c1ccco1)C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001589010136 984975291 /nfs/dbraw/zinc/97/52/91/984975291.db2.gz CJXSTZNCURXDSS-ZRDIBKRKSA-N -1 0 329.352 3.807 20 0 EHADRM C/C(=C/c1ccco1)c1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC001589010886 984984168 /nfs/dbraw/zinc/98/41/68/984984168.db2.gz RYIAVKDYGYSKOZ-FLIBITNWSA-N -1 0 326.308 3.500 20 0 EHADRM C/C(=C\c1ccncc1)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001589011224 984988253 /nfs/dbraw/zinc/98/82/53/984988253.db2.gz UNBWSDSYQXTXTG-RMKNXTFCSA-N -1 0 334.734 3.614 20 0 EHADRM CCOC(=O)c1cccc(SCC(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC001596730239 984993978 /nfs/dbraw/zinc/99/39/78/984993978.db2.gz APLBORRMAQTZJT-UHFFFAOYSA-N -1 0 344.388 3.537 20 0 EHADRM CC(=O)[C@@H](C)CCCCC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001589022749 985018583 /nfs/dbraw/zinc/01/85/83/985018583.db2.gz FYFQPQKZCHOXKG-NSHDSACASA-N -1 0 330.384 3.590 20 0 EHADRM CC(=O)[C@H](C)CCCCC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001589023818 985025837 /nfs/dbraw/zinc/02/58/37/985025837.db2.gz WQMXEFUPRQFRTE-LLVKDONJSA-N -1 0 330.384 3.590 20 0 EHADRM CC(=O)N(c1ccc(NCc2ccc(/C=C\C(=O)[O-])o2)cc1)C1CC1 ZINC001589051625 985140753 /nfs/dbraw/zinc/14/07/53/985140753.db2.gz LHVGBJKRJRUJRZ-KHPPLWFESA-N -1 0 340.379 3.505 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cccc(Cl)c2Cl)C[C@]1(C)C(=O)[O-] ZINC001599922954 985161759 /nfs/dbraw/zinc/16/17/59/985161759.db2.gz JTXLFAGRJGAANG-RTHLEPHNSA-N -1 0 331.199 3.568 20 0 EHADRM CCO[C@@H](C)c1ncc(C(=O)Nc2sc(C)cc2C(=O)[O-])s1 ZINC001596776745 985216274 /nfs/dbraw/zinc/21/62/74/985216274.db2.gz OIUYDVZDMQSHNY-QMMMGPOBSA-N -1 0 340.426 3.561 20 0 EHADRM CCO[C@H](CCNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)C(C)C ZINC001596784759 985252694 /nfs/dbraw/zinc/25/26/94/985252694.db2.gz XNMDRJVXNHISII-CQSZACIVSA-N -1 0 342.823 3.611 20 0 EHADRM CCO[C@H](c1noc(-c2cccc(CC(=O)[O-])c2)n1)C1CCCC1 ZINC001596790906 985270202 /nfs/dbraw/zinc/27/02/02/985270202.db2.gz PLDKFVLJUSLALI-INIZCTEOSA-N -1 0 330.384 3.632 20 0 EHADRM O=C(NO[C@@H]1CCCCO1)Nc1ccc(Cl)cc1-n1cccc1 ZINC000160250845 1015115314 /nfs/dbraw/zinc/11/53/14/1015115314.db2.gz KOAZZEKFRLHCMG-OAHLLOKOSA-N -1 0 335.791 3.710 20 0 EHADRM CC[C@H](C)c1nc(C)c(CC(=O)Nc2ccc(O)c(F)c2F)c(C)n1 ZINC000655137361 1015117577 /nfs/dbraw/zinc/11/75/77/1015117577.db2.gz UCXUBPCHOABLTO-VIFPVBQESA-N -1 0 349.381 3.772 20 0 EHADRM CCOC1CC(C(=O)Nc2cc(-c3ccccc3)sc2C(=O)[O-])C1 ZINC001596805472 985335114 /nfs/dbraw/zinc/33/51/14/985335114.db2.gz ZXOFTRIOMKVREM-UHFFFAOYSA-N -1 0 345.420 3.867 20 0 EHADRM C[C@H]1Cc2ccccc2N(C(=O)c2cnc3ccccc3c2)[C@H]1C(=O)[O-] ZINC001599936106 985397525 /nfs/dbraw/zinc/39/75/25/985397525.db2.gz KWQPLVIDAWDCID-ORAYPTAESA-N -1 0 346.386 3.527 20 0 EHADRM C[C@]1(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)C[C@@H]1c1ccccc1 ZINC001599937605 985415418 /nfs/dbraw/zinc/41/54/18/985415418.db2.gz AZBRJGHQSFXWNS-UZLBHIALSA-N -1 0 334.375 3.998 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cnc(C(=O)[O-])c(Cl)c2)[C@H]1c1ccccc1 ZINC001594481496 985527970 /nfs/dbraw/zinc/52/79/70/985527970.db2.gz CFBKQNIDDFUAAD-MEBBXXQBSA-N -1 0 345.786 3.658 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cccc(F)c2C(=O)[O-])Cc2ccccc21 ZINC001594481739 985531367 /nfs/dbraw/zinc/53/13/67/985531367.db2.gz FJFRQZRXAFXOED-LLVKDONJSA-N -1 0 328.343 3.675 20 0 EHADRM CC(=O)Nc1cc(Cl)c(NCCCC(C)(F)F)cc1C(=O)[O-] ZINC001589179408 985549416 /nfs/dbraw/zinc/54/94/16/985549416.db2.gz MQCLOSYLYGSNKT-UHFFFAOYSA-N -1 0 334.750 3.844 20 0 EHADRM Cc1[nH]c(C(=O)COc2c(Cl)cccc2Cl)c(C)c1C(=O)[O-] ZINC001599947788 985558572 /nfs/dbraw/zinc/55/85/72/985558572.db2.gz PFUIVWIMMZBQLD-UHFFFAOYSA-N -1 0 342.178 3.898 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CCSC2(CCC2)CC1 ZINC000655145386 1015143350 /nfs/dbraw/zinc/14/33/50/1015143350.db2.gz KQWPNYSBGYEBBE-UHFFFAOYSA-N -1 0 345.386 3.913 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2F)c2ccccc2S1 ZINC001594493116 985609375 /nfs/dbraw/zinc/60/93/75/985609375.db2.gz NNWUZBGTSVLPGX-JTQLQIEISA-N -1 0 331.368 3.665 20 0 EHADRM CC(=O)Nc1ccc(NC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1C ZINC001589196026 985625914 /nfs/dbraw/zinc/62/59/14/985625914.db2.gz VRIJIZYEGHTOQF-UHFFFAOYSA-N -1 0 346.770 3.557 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCC[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001599955496 985681958 /nfs/dbraw/zinc/68/19/58/985681958.db2.gz PLTAXYJNWIYFPX-RISCZKNCSA-N -1 0 334.460 3.912 20 0 EHADRM Cc1[nH]c(CN2CCCc3c(OC(F)F)cccc32)cc1C(=O)[O-] ZINC001599961828 985797485 /nfs/dbraw/zinc/79/74/85/985797485.db2.gz BSYUZSDYRGGHDZ-UHFFFAOYSA-N -1 0 336.338 3.576 20 0 EHADRM Cc1[nH]c(S[C@@H](C)c2nc(C(=O)[O-])co2)nc1-c1ccccc1 ZINC001599965871 985904335 /nfs/dbraw/zinc/90/43/35/985904335.db2.gz KGYJVFFPGIBYBR-JTQLQIEISA-N -1 0 329.381 3.925 20 0 EHADRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001599966687 985919258 /nfs/dbraw/zinc/91/92/58/985919258.db2.gz UYOZQTZQPUWYLD-UHFFFAOYSA-N -1 0 342.782 3.758 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)[C@H](F)CC1CCCCC1 ZINC001589264542 985933646 /nfs/dbraw/zinc/93/36/46/985933646.db2.gz KUENJXBXDARALZ-OAHLLOKOSA-N -1 0 336.359 3.801 20 0 EHADRM CC(=O)c1cc(F)ccc1NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001589271011 985967685 /nfs/dbraw/zinc/96/76/85/985967685.db2.gz LGQMJLDIMRKRTO-UHFFFAOYSA-N -1 0 335.718 3.632 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2c(Cl)ccc(F)c2C(=O)[O-])cc1 ZINC001589277620 985996291 /nfs/dbraw/zinc/99/62/91/985996291.db2.gz UEURWRDWMMNYNV-UHFFFAOYSA-N -1 0 335.718 3.632 20 0 EHADRM CC(=O)c1ccc(N(C)CCOc2ccc(C(=O)[O-])cc2Cl)cc1 ZINC001589284139 986018137 /nfs/dbraw/zinc/01/81/37/986018137.db2.gz QLMWFRASLCABKJ-UHFFFAOYSA-N -1 0 347.798 3.756 20 0 EHADRM CC(=O)c1ccc(Cl)c(Cl)c1OC[C@H]1CC(C(=O)[O-])=C(C)O1 ZINC001589284155 986018737 /nfs/dbraw/zinc/01/87/37/986018737.db2.gz RSPLPWHQPOUVFF-SECBINFHSA-N -1 0 345.178 3.722 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC001599974969 986074729 /nfs/dbraw/zinc/07/47/29/986074729.db2.gz DFPMAXNVYBOPIZ-PEGIJTEDSA-N -1 0 333.359 3.594 20 0 EHADRM Cc1c(C(=O)N(Cc2ccccc2)[C@@H](C)C(=O)[O-])cnc2ccccc12 ZINC001599975355 986081409 /nfs/dbraw/zinc/08/14/09/986081409.db2.gz KTRVJROFUUFQSY-HNNXBMFYSA-N -1 0 348.402 3.659 20 0 EHADRM CCOCc1nc(Cl)cc(Nc2cccc([C@@H](C)C(=O)[O-])c2)n1 ZINC001596955670 986127635 /nfs/dbraw/zinc/12/76/35/986127635.db2.gz ARZXUNJTWXWPNU-SNVBAGLBSA-N -1 0 335.791 3.598 20 0 EHADRM C[C@@H]1CN(Cc2cc(Br)ccc2C(=O)[O-])CCC1(F)F ZINC001594535633 986148400 /nfs/dbraw/zinc/14/84/00/986148400.db2.gz NQYQLZVVIHAKJD-SECBINFHSA-N -1 0 348.187 3.624 20 0 EHADRM Cc1c2cccc(Cl)c2[nH]c1C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001599980007 986150113 /nfs/dbraw/zinc/15/01/13/986150113.db2.gz KYLMACYTDQRGAM-UHFFFAOYSA-N -1 0 348.830 3.895 20 0 EHADRM Cc1c(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)ccn1C(C)C ZINC001599980561 986156213 /nfs/dbraw/zinc/15/62/13/986156213.db2.gz MNGSXZDISAOQEI-KRWDZBQOSA-N -1 0 328.412 3.713 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)c3cc(C(C)C)on3)ccc2n1C ZINC001599985371 986220261 /nfs/dbraw/zinc/22/02/61/986220261.db2.gz FSUGBNOXQZPTMG-UHFFFAOYSA-N -1 0 342.351 3.516 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)[C@@H]3C[C@@H]3C3CCCC3)ccc2n1C ZINC001599985680 986224500 /nfs/dbraw/zinc/22/45/00/986224500.db2.gz JYLDOLRMANJBKX-HUUCEWRRSA-N -1 0 341.407 3.917 20 0 EHADRM C[C@H](C(=O)N(C)C1(C(=O)[O-])CCCC1)c1ccc(C(F)(F)F)cc1 ZINC001589338019 986232969 /nfs/dbraw/zinc/23/29/69/986232969.db2.gz XYOMXPVLCVTSFU-NSHDSACASA-N -1 0 343.345 3.665 20 0 EHADRM C[C@H](C(=O)N([C@@H](C)C(=O)[O-])C1CCC1)c1ccc(C(F)(F)F)cc1 ZINC001589341622 986254255 /nfs/dbraw/zinc/25/42/55/986254255.db2.gz JEDXILMEXAOZLY-QWRGUYRKSA-N -1 0 343.345 3.663 20 0 EHADRM CCOc1c(Cl)cccc1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC001596993029 986280436 /nfs/dbraw/zinc/28/04/36/986280436.db2.gz VXYLMCBCAOMGKQ-UHFFFAOYSA-N -1 0 340.807 3.504 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N(CC)Cc1cccs1 ZINC001597015420 986366899 /nfs/dbraw/zinc/36/68/99/986366899.db2.gz PSGQRFYRKPBVOI-UHFFFAOYSA-N -1 0 348.424 3.899 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H](C)Cc1ccsc1 ZINC001597016555 986382740 /nfs/dbraw/zinc/38/27/40/986382740.db2.gz FMDXATGYFJEWJV-NSHDSACASA-N -1 0 348.424 3.598 20 0 EHADRM C[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)c1ccc2ccccc2c1 ZINC001589368724 986402437 /nfs/dbraw/zinc/40/24/37/986402437.db2.gz DRETWGVSGFSBOD-IBZMOEQTSA-N -1 0 337.419 3.657 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NCCC[C@@H]1C=CCC1 ZINC001597022010 986417900 /nfs/dbraw/zinc/41/79/00/986417900.db2.gz OPGIJZYWSZSKHU-CYBMUJFWSA-N -1 0 332.400 3.651 20 0 EHADRM C[C@H](C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1)c1c(Cl)cccc1Cl ZINC001589369645 986418665 /nfs/dbraw/zinc/41/86/65/986418665.db2.gz WZIFEPCHORCOOZ-PUTJDCORSA-N -1 0 344.238 3.666 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NCC(C)(C)C(C)(C)C ZINC001597022313 986420192 /nfs/dbraw/zinc/42/01/92/986420192.db2.gz RUGHVBIFFOCJCW-UHFFFAOYSA-N -1 0 336.432 3.977 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H](C)c1cccs1 ZINC001597023208 986429093 /nfs/dbraw/zinc/42/90/93/986429093.db2.gz ZMKFBDQTKJQMAW-JTQLQIEISA-N -1 0 334.397 3.728 20 0 EHADRM CCOc1ccc(C(=O)N2CCCc3c(C(=O)[O-])ccc(C)c32)cc1 ZINC001597060579 986546879 /nfs/dbraw/zinc/54/68/79/986546879.db2.gz XLHFGFDDTLAMEL-UHFFFAOYSA-N -1 0 339.391 3.685 20 0 EHADRM CCOc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2Cl)cc1OC ZINC001597061577 986549434 /nfs/dbraw/zinc/54/94/34/986549434.db2.gz FZTFGXFRBYDITN-UHFFFAOYSA-N -1 0 349.770 3.698 20 0 EHADRM C[C@H](C(=O)NC[C@H](CC1CCCC1)C(=O)[O-])c1cc2ccccc2o1 ZINC001589403131 986576134 /nfs/dbraw/zinc/57/61/34/986576134.db2.gz ANJNJLKKPLDTBR-BBRMVZONSA-N -1 0 343.423 3.934 20 0 EHADRM C[C@H](C(=O)NC[C@H](CC1CCCC1)C(=O)[O-])c1ccc(Cl)s1 ZINC001589404763 986584661 /nfs/dbraw/zinc/58/46/61/986584661.db2.gz SHXKUDZBWGHWSU-JQWIXIFHSA-N -1 0 343.876 3.902 20 0 EHADRM C[C@H]1CSC(SCc2cc(C(=O)[O-])ccc2Br)=N1 ZINC001594610796 986601829 /nfs/dbraw/zinc/60/18/29/986601829.db2.gz UTBFAKNIPRREKR-ZETCQYMHSA-N -1 0 346.271 3.872 20 0 EHADRM C[C@H]1CSCCN1C(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001594612134 986604792 /nfs/dbraw/zinc/60/47/92/986604792.db2.gz BFEWBCIDAROYIN-ZDUSSCGKSA-N -1 0 341.432 3.629 20 0 EHADRM C[C@H]1Cc2ccccc2N(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1 ZINC001594622347 986665043 /nfs/dbraw/zinc/66/50/43/986665043.db2.gz BGPUNPPPTONDHT-JAGHRAMZSA-N -1 0 327.424 3.637 20 0 EHADRM C[C@@H]1N(C(=O)NCC2(CC(=O)[O-])CCCC2)c2ccccc2C1(C)C ZINC001594624890 986689601 /nfs/dbraw/zinc/68/96/01/986689601.db2.gz FJYICFFGFVMRRU-AWEZNQCLSA-N -1 0 344.455 3.917 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C)c1cccc(Cl)c1 ZINC001589430631 986719801 /nfs/dbraw/zinc/71/98/01/986719801.db2.gz BGFUPUNRDURRKD-LLVKDONJSA-N -1 0 346.814 3.846 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001589438718 986764217 /nfs/dbraw/zinc/76/42/17/986764217.db2.gz PDNRXSMHNOVZCR-LLVKDONJSA-N -1 0 333.771 3.546 20 0 EHADRM CCOc1ccc(NC(=O)[C@H](C)c2ccccc2C)c(C(=O)[O-])c1F ZINC001597112820 986781978 /nfs/dbraw/zinc/78/19/78/986781978.db2.gz OKFAKDXBCSLFDF-GFCCVEGCSA-N -1 0 345.370 3.973 20 0 EHADRM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001594641245 986792495 /nfs/dbraw/zinc/79/24/95/986792495.db2.gz WLTUEGHVOHMTMV-LFNDISMMSA-N -1 0 348.424 3.533 20 0 EHADRM C[C@H](C(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1)C1CCC1 ZINC001589445187 986808185 /nfs/dbraw/zinc/80/81/85/986808185.db2.gz WAGGYBKJVDIQIO-NSHDSACASA-N -1 0 344.436 3.812 20 0 EHADRM CCOc1ccc(NC(=O)[C@@H](C)Cc2ccccc2)c(C(=O)[O-])c1F ZINC001597120569 986813719 /nfs/dbraw/zinc/81/37/19/986813719.db2.gz WQMYKNYCRPDJQN-LBPRGKRZSA-N -1 0 345.370 3.740 20 0 EHADRM CCOc1ccc(N[C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC001597122574 986817586 /nfs/dbraw/zinc/81/75/86/986817586.db2.gz DAQVBWXLKTWOOO-CYBMUJFWSA-N -1 0 342.395 3.531 20 0 EHADRM CCOc1cccc(/C=C/C(=O)Nc2scc(C(=O)[O-])c2C)c1 ZINC001597149252 986916587 /nfs/dbraw/zinc/91/65/87/986916587.db2.gz CTANFQTVUJHYDQ-BQYQJAHWSA-N -1 0 331.393 3.805 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1sccc1C1CC1)c1ccccc1 ZINC001589469928 986950133 /nfs/dbraw/zinc/95/01/33/986950133.db2.gz RBILTWXQIVTIJG-XHDPSFHLSA-N -1 0 329.421 3.817 20 0 EHADRM C[C@H]1c2cc(Cl)c(Cl)cc2CCN1c1ncc(C(=O)[O-])cn1 ZINC001594665486 986958602 /nfs/dbraw/zinc/95/86/02/986958602.db2.gz GNFMQCMXEVTPRG-QMMMGPOBSA-N -1 0 338.194 3.605 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)CCn1ccc2cc(Cl)ccc21)C1CCC1 ZINC001589472580 986968276 /nfs/dbraw/zinc/96/82/76/986968276.db2.gz RPHUMYOGSPPKGD-GFCCVEGCSA-N -1 0 348.830 3.539 20 0 EHADRM CCOc1ccccc1C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC001597168605 986998543 /nfs/dbraw/zinc/99/85/43/986998543.db2.gz XLJCIOGWKREZIC-HNNXBMFYSA-N -1 0 347.798 3.685 20 0 EHADRM C/C=C(/CC)C(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001594677281 987013791 /nfs/dbraw/zinc/01/37/91/987013791.db2.gz YYBDUBYXZMSBFE-KHSJVXASSA-N -1 0 330.211 3.766 20 0 EHADRM CCC(=CC(=O)N[C@@H](C(=O)[O-])c1ccccc1OC(F)(F)F)CC ZINC001594690570 987080898 /nfs/dbraw/zinc/08/08/98/987080898.db2.gz BVIGVKPDPAIPBI-CQSZACIVSA-N -1 0 345.317 3.574 20 0 EHADRM CC/C(=C/C(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])c1cccc(Cl)c1 ZINC001594692198 987101932 /nfs/dbraw/zinc/10/19/32/987101932.db2.gz WTGRAVOAABPCSE-HMSRSJDVSA-N -1 0 333.815 3.599 20 0 EHADRM CC/C(=C\C(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccc(OC)cc1 ZINC001594694130 987106102 /nfs/dbraw/zinc/10/61/02/987106102.db2.gz ODOMJUMBHOSAPB-FYWRMAATSA-N -1 0 339.391 3.754 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N[C@@H](CF)c2ccc(F)cc2)cc1 ZINC001589508453 987128968 /nfs/dbraw/zinc/12/89/68/987128968.db2.gz KBVJGFAPDYBVMB-ZBEGNZNMSA-N -1 0 348.349 3.846 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CCO[C@@H](C(C)(C)C)CC2)cc1 ZINC001589508949 987131476 /nfs/dbraw/zinc/13/14/76/987131476.db2.gz OECVYHSWXXTJGH-CZUORRHYSA-N -1 0 348.443 3.544 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CCc3cc(F)ccc32)cc1 ZINC001589509700 987133253 /nfs/dbraw/zinc/13/32/53/987133253.db2.gz QACNCAZCZVPTDB-LLVKDONJSA-N -1 0 328.343 3.608 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NCc2coc3ccccc23)cc1 ZINC001589512134 987146988 /nfs/dbraw/zinc/14/69/88/987146988.db2.gz OETASPHNQLSSEI-LBPRGKRZSA-N -1 0 338.363 3.943 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NCC[C@@H]2CCC(C)(C)CO2)cc1 ZINC001589513729 987160427 /nfs/dbraw/zinc/16/04/27/987160427.db2.gz XHQSFMDMLIEMJR-BBRMVZONSA-N -1 0 348.443 3.592 20 0 EHADRM CCC(=O)Nc1ccc(C)c(N[C@@H](C)c2cncc(C(=O)[O-])c2)c1 ZINC001594710679 987171609 /nfs/dbraw/zinc/17/16/09/987171609.db2.gz TXZYSNIDZBBBEN-LBPRGKRZSA-N -1 0 327.384 3.610 20 0 EHADRM CCC(=O)Nc1cccc(C(=O)Nc2c(CC)cccc2C(=O)[O-])c1 ZINC001594713329 987182052 /nfs/dbraw/zinc/18/20/52/987182052.db2.gz SWIGVBTVAAJKJK-UHFFFAOYSA-N -1 0 340.379 3.548 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2ccc(F)c3ccncc23)c1 ZINC001589533172 987223724 /nfs/dbraw/zinc/22/37/24/987223724.db2.gz YOBCCBWKMGXGDS-LLVKDONJSA-N -1 0 338.338 3.814 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)Nc2cc3c(cn2)CCCC3)c1 ZINC001589533783 987228435 /nfs/dbraw/zinc/22/84/35/987228435.db2.gz SRRLJNLAOICPQC-GFCCVEGCSA-N -1 0 339.395 3.793 20 0 EHADRM CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2scc(C)c2C(=O)[O-])C1 ZINC001597255237 987253173 /nfs/dbraw/zinc/25/31/73/987253173.db2.gz AVUYIMWRNAQTAS-GHMZBOCLSA-N -1 0 342.486 3.893 20 0 EHADRM CC[C@H](C(=O)NC1(CC(=O)[O-])CCC1)c1cccc(C(F)(F)F)c1 ZINC001594733538 987254846 /nfs/dbraw/zinc/25/48/46/987254846.db2.gz CGVRZUOWQUJJJX-ZDUSSCGKSA-N -1 0 343.345 3.713 20 0 EHADRM CC[C@H](C(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1)c1ccc(F)cc1 ZINC001594734213 987259825 /nfs/dbraw/zinc/25/98/25/987259825.db2.gz PSUOHSVPUTWWHU-KXBFYZLASA-N -1 0 335.419 3.859 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC001597271146 987317838 /nfs/dbraw/zinc/31/78/38/987317838.db2.gz WPNRORRTGNGUNM-VNKGSWCUSA-N -1 0 345.420 3.980 20 0 EHADRM CCSc1cccc(C(=O)Nc2cccc(OCC(=O)[O-])c2)c1 ZINC001597273436 987329084 /nfs/dbraw/zinc/32/90/84/987329084.db2.gz VEZAUQLXDXVPKX-UHFFFAOYSA-N -1 0 331.393 3.514 20 0 EHADRM CCSc1ccccc1CC(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC001597279116 987340025 /nfs/dbraw/zinc/34/00/25/987340025.db2.gz DEIAEYLLWHXYFK-INIZCTEOSA-N -1 0 349.496 3.738 20 0 EHADRM CCSc1cccnc1-c1noc([C@@H]2CCCC[C@@H]2C(=O)[O-])n1 ZINC001597279737 987344241 /nfs/dbraw/zinc/34/42/41/987344241.db2.gz KFLVDDSQAQKDBK-MNOVXSKESA-N -1 0 333.413 3.602 20 0 EHADRM CC[C@@H](NC(=O)Nc1cnc(C)c(C(=O)[O-])c1)c1ccc(C)c(F)c1 ZINC001597288326 987370126 /nfs/dbraw/zinc/37/01/26/987370126.db2.gz CRQVKCSVGKVFSX-MRXNPFEDSA-N -1 0 345.374 3.809 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)/C=C/C=C(Cl)Cl)c1ccccc1 ZINC001589590479 987393878 /nfs/dbraw/zinc/39/38/78/987393878.db2.gz BVDNSXRFORZYFV-XYYIANASSA-N -1 0 342.222 3.830 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1 ZINC001589598033 987417661 /nfs/dbraw/zinc/41/76/61/987417661.db2.gz FQFOPUAAHWOUSH-KSZLIROESA-N -1 0 337.419 3.758 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 ZINC001589598029 987417759 /nfs/dbraw/zinc/41/77/59/987417759.db2.gz FQFOPUAAHWOUSH-FGTMMUONSA-N -1 0 337.419 3.758 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1cc2[nH]ccc2s1)c1ccccc1 ZINC001589599633 987422772 /nfs/dbraw/zinc/42/27/72/987422772.db2.gz XYDHPEMOERCNPA-HNNXBMFYSA-N -1 0 342.420 3.811 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)Nc2ccc3cnccc3c2)C1 ZINC001589611343 987462963 /nfs/dbraw/zinc/46/29/63/987462963.db2.gz GNLTZUCTOYBTLT-OAHLLOKOSA-N -1 0 341.411 3.590 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)Nc2ccc3ccccc3n2)C1 ZINC001589611806 987468440 /nfs/dbraw/zinc/46/84/40/987468440.db2.gz YKAFFKXQBZSRDT-CQSZACIVSA-N -1 0 341.411 3.590 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N2Cc3ccccc3CO2)cc1 ZINC001589636390 987553552 /nfs/dbraw/zinc/55/35/52/987553552.db2.gz PQTSFTOEEWDZAI-UHFFFAOYSA-N -1 0 340.379 3.528 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N2CCC(C3CC3)CC2)cc1 ZINC001589636411 987554247 /nfs/dbraw/zinc/55/42/47/987554247.db2.gz RGBYCJISHUBTGF-UHFFFAOYSA-N -1 0 330.428 3.703 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2ccc3ccncc3c2)cc1 ZINC001589638582 987560649 /nfs/dbraw/zinc/56/06/49/987560649.db2.gz NCQCSTPRWKNTGJ-UHFFFAOYSA-N -1 0 334.375 3.849 20 0 EHADRM CCc1[nH]c(C(=O)N[C@H]2[C@H](c3ccccc3)C2(C)C)c(C)c1C(=O)[O-] ZINC001597386595 987605072 /nfs/dbraw/zinc/60/50/72/987605072.db2.gz XBVIRKCACILPGK-RDJZCZTQSA-N -1 0 340.423 3.506 20 0 EHADRM CCc1[nH]c(CN[C@H](C)c2nc(C3CCCCC3)no2)cc1C(=O)[O-] ZINC001597390934 987619242 /nfs/dbraw/zinc/61/92/42/987619242.db2.gz IHODYYXYGYKKBX-LLVKDONJSA-N -1 0 346.431 3.557 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC001589697029 987779189 /nfs/dbraw/zinc/77/91/89/987779189.db2.gz WRAVMDKFKGPRQH-LUAWRHEFSA-N -1 0 341.363 3.859 20 0 EHADRM CC(C)(C)C(=O)c1ccsc1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001589699622 987786548 /nfs/dbraw/zinc/78/65/48/987786548.db2.gz NGRQQEQPWMLKON-MNOVXSKESA-N -1 0 337.441 3.806 20 0 EHADRM CC(C)(C)C(=O)c1ccsc1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001589699623 987786894 /nfs/dbraw/zinc/78/68/94/987786894.db2.gz NGRQQEQPWMLKON-QWRGUYRKSA-N -1 0 337.441 3.806 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)Nc1ccc(F)c(C(F)F)c1 ZINC001589703079 987804927 /nfs/dbraw/zinc/80/49/27/987804927.db2.gz UNXPUICTNUFUGR-NSHDSACASA-N -1 0 332.322 3.774 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)Cc1coc2cc(Cl)ccc12 ZINC001589703496 987807036 /nfs/dbraw/zinc/80/70/36/987807036.db2.gz ZHNVBDXRAKCMFV-AWEZNQCLSA-N -1 0 337.803 3.634 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)CCOc1ccccc1C ZINC001597452165 987846545 /nfs/dbraw/zinc/84/65/45/987846545.db2.gz MMNSPGBHPPBKDN-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccn1)c1cccc(F)c1 ZINC001589716566 987860640 /nfs/dbraw/zinc/86/06/40/987860640.db2.gz QGCQOJAUFGBZEH-HNNXBMFYSA-N -1 0 345.374 3.828 20 0 EHADRM CC(C)(C)[C@H](NC(=O)Cc1cccc(C(=O)[O-])c1)c1cccc(F)c1 ZINC001589717326 987866350 /nfs/dbraw/zinc/86/63/50/987866350.db2.gz YPZZPMRQCLCMPM-GOSISDBHSA-N -1 0 343.398 3.970 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@H]1C[C@@]1(F)c1ccccc1 ZINC001597456912 987867365 /nfs/dbraw/zinc/86/73/65/987867365.db2.gz DTKWRPBLEPREGU-QFBILLFUSA-N -1 0 342.370 3.706 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H](c1ccncc1)C1CC1 ZINC001597457556 987874488 /nfs/dbraw/zinc/87/44/88/987874488.db2.gz WKIRTEMKVYSRFP-QGZVFWFLSA-N -1 0 339.395 3.615 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCC1(OC)CCC(C)CC1 ZINC001597457698 987876714 /nfs/dbraw/zinc/87/67/14/987876714.db2.gz ODDDDWJTQWUTOW-UHFFFAOYSA-N -1 0 348.443 3.664 20 0 EHADRM CC(C)(C)C1CCC(=CC(=O)Nc2nc(CC(=O)[O-])cs2)CC1 ZINC001589726606 987910749 /nfs/dbraw/zinc/91/07/49/987910749.db2.gz MUKDFLHMYLDALC-UHFFFAOYSA-N -1 0 336.457 3.871 20 0 EHADRM CSC1CCC(CNC(=O)Nc2ccc(C(=O)[O-])c(C)c2)CC1 ZINC001599786279 987926536 /nfs/dbraw/zinc/92/65/36/987926536.db2.gz GWESAZVMOWJDCC-UHFFFAOYSA-N -1 0 336.457 3.737 20 0 EHADRM CC(C)(C)[C@H]1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CCO1 ZINC001589731358 987946521 /nfs/dbraw/zinc/94/65/21/987946521.db2.gz BRYQMWDJPNTWRN-CABCVRRESA-N -1 0 325.836 3.603 20 0 EHADRM CCc1cc(NC(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)ccc1C ZINC001597481404 987969110 /nfs/dbraw/zinc/96/91/10/987969110.db2.gz GOMMWUHSGIESSS-QGZVFWFLSA-N -1 0 344.386 3.686 20 0 EHADRM CC(C)(C)/C=C/C(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001589738692 988005096 /nfs/dbraw/zinc/00/50/96/988005096.db2.gz RAIKXRQEWNKKPD-SNAWJCMRSA-N -1 0 344.180 3.827 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)NC[C@H](CC3CC3)C(=O)[O-])o2)cc1 ZINC001597492079 988024369 /nfs/dbraw/zinc/02/43/69/988024369.db2.gz JORKDYWCVHNOEP-INIZCTEOSA-N -1 0 341.407 3.740 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)NC(CC)(CC)C(=O)[O-])o2)cc1 ZINC001597492445 988028095 /nfs/dbraw/zinc/02/80/95/988028095.db2.gz PQRRNSUIGVCAFP-UHFFFAOYSA-N -1 0 329.396 3.882 20 0 EHADRM CCc1ccc(C(=O)N[C@]2(C(=O)[O-])CCCC(C)(C)C2)cc1CC ZINC001597500383 988054285 /nfs/dbraw/zinc/05/42/85/988054285.db2.gz LJULOSPPTOXKFW-HXUWFJFHSA-N -1 0 331.456 3.965 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001589751797 988056433 /nfs/dbraw/zinc/05/64/33/988056433.db2.gz RTMNMWFEKIZGOT-INIZCTEOSA-N -1 0 344.386 3.826 20 0 EHADRM CCc1ccc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)c(O)c1 ZINC001597502834 988068341 /nfs/dbraw/zinc/06/83/41/988068341.db2.gz HIUNISFTQOOFOH-UHFFFAOYSA-N -1 0 345.420 3.525 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)Cc1scnc1-c1ccccc1)C(=O)[O-] ZINC001589760089 988082625 /nfs/dbraw/zinc/08/26/25/988082625.db2.gz NGEHTMRHYBLZJI-CYBMUJFWSA-N -1 0 347.436 3.785 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)NCc2ccccc2C(=O)[O-])cc1 ZINC001597511970 988094868 /nfs/dbraw/zinc/09/48/68/988094868.db2.gz MNRNWAYWOQLQJN-AWEZNQCLSA-N -1 0 325.408 3.757 20 0 EHADRM CC(C)(C)C[C@@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])cn2)C1(C)C ZINC001589764696 988106667 /nfs/dbraw/zinc/10/66/67/988106667.db2.gz SLVVCGHHUAEWRJ-ZDUSSCGKSA-N -1 0 333.432 3.848 20 0 EHADRM CSCCCCC(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1 ZINC001599797723 988124725 /nfs/dbraw/zinc/12/47/25/988124725.db2.gz UKHJFXDEXSABSX-UHFFFAOYSA-N -1 0 342.486 3.971 20 0 EHADRM CCc1ccc([C@H](NC(=O)[C@H](CC)C(=O)[O-])c2cccc(F)c2)cc1 ZINC001597514952 988124877 /nfs/dbraw/zinc/12/48/77/988124877.db2.gz ZKMGZKNUOCVGLO-ROUUACIJSA-N -1 0 343.398 3.705 20 0 EHADRM CC(C)(C)CCCCNS(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001589771892 988126242 /nfs/dbraw/zinc/12/62/42/988126242.db2.gz NEBPDLXAIZTHBO-UHFFFAOYSA-N -1 0 347.864 3.533 20 0 EHADRM CCc1ccc([C@H]2CCN(C(=O)c3ccsc3CC(=O)[O-])C2)cc1 ZINC001597516620 988128685 /nfs/dbraw/zinc/12/86/85/988128685.db2.gz FVLFGAJYYCEQMP-HNNXBMFYSA-N -1 0 343.448 3.567 20 0 EHADRM CCc1ccc([C@H]2C[C@H](C)CCN2Cc2nc(C(=O)[O-])cs2)o1 ZINC001597516571 988129041 /nfs/dbraw/zinc/12/90/41/988129041.db2.gz DQRRJSVSGJJUNE-BXUZGUMPSA-N -1 0 334.441 3.970 20 0 EHADRM CCc1ccc([C@H]2CCCCCN2C(=O)c2ccc(C(=O)[O-])n2C)o1 ZINC001597518234 988135720 /nfs/dbraw/zinc/13/57/20/988135720.db2.gz RQYHYJXLKXOEHI-CQSZACIVSA-N -1 0 344.411 3.636 20 0 EHADRM CC(C)(C)CCS(=O)(=O)Oc1cc2ccccc2cc1C(=O)[O-] ZINC001589779909 988144231 /nfs/dbraw/zinc/14/42/31/988144231.db2.gz BCEFTDRLRVICBX-UHFFFAOYSA-N -1 0 336.409 3.683 20 0 EHADRM CCc1ccc(CC(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)cc1 ZINC001597521207 988153230 /nfs/dbraw/zinc/15/32/30/988153230.db2.gz JFLGQEODXIBEHG-UHFFFAOYSA-N -1 0 341.407 3.916 20 0 EHADRM CSCc1ccc(NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC001599802846 988205588 /nfs/dbraw/zinc/20/55/88/988205588.db2.gz WSESUIQMWNNWEG-CYBMUJFWSA-N -1 0 336.457 3.658 20 0 EHADRM CSCc1cccc(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC001599803108 988210240 /nfs/dbraw/zinc/21/02/40/988210240.db2.gz KFDWPTVFXUMOLT-UHFFFAOYSA-N -1 0 348.399 3.709 20 0 EHADRM CCc1ccc(NC(=O)C(F)(F)c2ccccc2C)c(C(=O)[O-])c1 ZINC001597542726 988232782 /nfs/dbraw/zinc/23/27/82/988232782.db2.gz IQRUOMQAWNFCGC-UHFFFAOYSA-N -1 0 333.334 3.986 20 0 EHADRM CSc1c(F)cccc1C(=O)Nc1sc(C)cc1C(=O)[O-] ZINC001599806379 988262497 /nfs/dbraw/zinc/26/24/97/988262497.db2.gz SXVOVTYFXZDLPN-UHFFFAOYSA-N -1 0 325.386 3.868 20 0 EHADRM CSc1cc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)co1 ZINC001599806774 988268730 /nfs/dbraw/zinc/26/87/30/988268730.db2.gz RWRGLUPQWVRUDL-GFCCVEGCSA-N -1 0 339.800 3.601 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC001599806877 988269464 /nfs/dbraw/zinc/26/94/64/988269464.db2.gz FDUIHIJNLYWEDK-JTQLQIEISA-N -1 0 328.821 3.533 20 0 EHADRM CCc1ccc(NC(=O)c2ccn(C3CCCC3)n2)c(C(=O)[O-])c1 ZINC001597551159 988272403 /nfs/dbraw/zinc/27/24/03/988272403.db2.gz VLXHDZMUQOUKSA-UHFFFAOYSA-N -1 0 327.384 3.511 20 0 EHADRM CCc1ccc(NC(=O)c2cc(C)cc(OC)c2C)c(C(=O)[O-])c1 ZINC001597551311 988273765 /nfs/dbraw/zinc/27/37/65/988273765.db2.gz XUKOGIKRRSTSTJ-UHFFFAOYSA-N -1 0 327.380 3.825 20 0 EHADRM CSc1cc(NC(=O)N[C@@H](CC(=O)[O-])C2CCCC2)ccc1C ZINC001599809164 988304117 /nfs/dbraw/zinc/30/41/17/988304117.db2.gz VQJIILOGDFXOLH-AWEZNQCLSA-N -1 0 336.457 3.872 20 0 EHADRM CCc1ccc2c(c1)[C@H](OC(=O)c1cc(C(=O)[O-])oc1C)CCO2 ZINC001597569460 988335554 /nfs/dbraw/zinc/33/55/54/988335554.db2.gz VZJSAYGIAUTTFQ-OAHLLOKOSA-N -1 0 330.336 3.529 20 0 EHADRM CSc1ccc(C)c(NC(=O)c2ccccc2CCC(=O)[O-])c1 ZINC001599812018 988354216 /nfs/dbraw/zinc/35/42/16/988354216.db2.gz FHYCNAFEEGXNAW-UHFFFAOYSA-N -1 0 329.421 3.986 20 0 EHADRM CSc1ccc(/C=C/C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)s1 ZINC001599812545 988361721 /nfs/dbraw/zinc/36/17/21/988361721.db2.gz MWZHHLLKTSSJEK-DZZUKKPASA-N -1 0 347.461 3.768 20 0 EHADRM CSc1ccc(C)c(NC(=O)NCCc2cccc(C(=O)[O-])c2)c1 ZINC001599812516 988362354 /nfs/dbraw/zinc/36/23/54/988362354.db2.gz MADRAQRFVISUIR-UHFFFAOYSA-N -1 0 344.436 3.779 20 0 EHADRM CSc1ccc(/C=C/C(=O)Nc2ccc(CC(=O)[O-])cc2)s1 ZINC001599812916 988369321 /nfs/dbraw/zinc/36/93/21/988369321.db2.gz RUSFXCSWGAFPRQ-SOFGYWHQSA-N -1 0 333.434 3.749 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)[C@@H](SC)c1ccccc1 ZINC001597576772 988369507 /nfs/dbraw/zinc/36/95/07/988369507.db2.gz UCSHNNYSBLILQZ-INIZCTEOSA-N -1 0 329.421 3.990 20 0 EHADRM CCc1cccc(C)c1NC(=O)CNc1cc(F)cc(C(=O)[O-])c1F ZINC001597578340 988372147 /nfs/dbraw/zinc/37/21/47/988372147.db2.gz BBMLYHSGPJSECP-UHFFFAOYSA-N -1 0 348.349 3.584 20 0 EHADRM CSc1ccc(C)c(NC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c1 ZINC001599813597 988380970 /nfs/dbraw/zinc/38/09/70/988380970.db2.gz XZWIXXJSIMIQSC-PBHICJAKSA-N -1 0 334.441 3.578 20 0 EHADRM CCc1cccc(CC)c1NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001597585470 988395943 /nfs/dbraw/zinc/39/59/43/988395943.db2.gz OOSPCEVKYJGFBY-OXQOHEQNSA-N -1 0 344.455 3.920 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1nc(Cl)ccc1Cl ZINC001597590626 988414446 /nfs/dbraw/zinc/41/44/46/988414446.db2.gz BIDRRBODRROEHW-UHFFFAOYSA-N -1 0 339.178 3.901 20 0 EHADRM CSc1ccc(NC(=O)Cc2cccc(Cl)c2)cc1C(=O)[O-] ZINC001599815831 988421497 /nfs/dbraw/zinc/42/14/97/988421497.db2.gz WFCHOALIMLFRPY-UHFFFAOYSA-N -1 0 335.812 3.941 20 0 EHADRM CSc1ccc(NC(=O)[C@@H](C)OCc2ccccc2)cc1C(=O)[O-] ZINC001599816267 988429500 /nfs/dbraw/zinc/42/95/00/988429500.db2.gz SKMOSOLVLKUODA-GFCCVEGCSA-N -1 0 345.420 3.651 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cnc(Cl)c(Cl)c1 ZINC001597594852 988435661 /nfs/dbraw/zinc/43/56/61/988435661.db2.gz XRLMTAXRKDTFLI-UHFFFAOYSA-N -1 0 339.178 3.901 20 0 EHADRM CCc1ccccc1OCCC(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC001597616873 988540150 /nfs/dbraw/zinc/54/01/50/988540150.db2.gz QWWOGXZRHSWUQF-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM CSc1cccc(C)c1NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001599823683 988559079 /nfs/dbraw/zinc/55/90/79/988559079.db2.gz HKLJXZZOLUDBLU-FZKQIMNGSA-N -1 0 348.468 3.826 20 0 EHADRM CSc1cccc(F)c1C(=O)Nc1scc(C(=O)[O-])c1C ZINC001599824365 988571948 /nfs/dbraw/zinc/57/19/48/988571948.db2.gz UBKHBIKITDGVGW-UHFFFAOYSA-N -1 0 325.386 3.868 20 0 EHADRM CCc1ccsc1C(=O)N[C@@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21 ZINC001597625730 988574048 /nfs/dbraw/zinc/57/40/48/988574048.db2.gz FSANMCWSBVHWQX-BLVKFPJESA-N -1 0 343.448 3.918 20 0 EHADRM CSc1nc(Nc2ccc(CCC(=O)[O-])cc2)cc(C(F)F)n1 ZINC001599827339 988616619 /nfs/dbraw/zinc/61/66/19/988616619.db2.gz FFLARQIVEHUADR-UHFFFAOYSA-N -1 0 339.367 3.897 20 0 EHADRM CCc1csc(CC2CCN(c3ccc(C(=O)[O-])c(C)n3)CC2)n1 ZINC001597638693 988627316 /nfs/dbraw/zinc/62/73/16/988627316.db2.gz SSFZSJMPKAQFTD-UHFFFAOYSA-N -1 0 345.468 3.566 20 0 EHADRM CCc1[nH]nc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1-c1cccs1 ZINC001597645374 988663501 /nfs/dbraw/zinc/66/35/01/988663501.db2.gz ZPABFCGBESYGTI-WDEREUQCSA-N -1 0 347.440 3.530 20 0 EHADRM CCc1nc([C@H](C)N[C@@H](C)c2ccccc2OCC(=O)[O-])cs1 ZINC001597657136 988714996 /nfs/dbraw/zinc/71/49/96/988714996.db2.gz XCVLDNMTIGIBJH-RYUDHWBXSA-N -1 0 334.441 3.581 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCC[C@H]1CC1CCCC1 ZINC000655363805 1015418782 /nfs/dbraw/zinc/41/87/82/1015418782.db2.gz SJDMSSKQDNJMAF-NSHDSACASA-N -1 0 327.346 3.994 20 0 EHADRM C[C@@H](NC(=O)NCCc1ccccc1C(=O)[O-])C1CCCCCC1 ZINC001599839402 988799666 /nfs/dbraw/zinc/79/96/66/988799666.db2.gz CLMUGQSBQSFWIQ-CQSZACIVSA-N -1 0 332.444 3.585 20 0 EHADRM C[C@@H](NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC001599840097 988811867 /nfs/dbraw/zinc/81/18/67/988811867.db2.gz CLPMGHRLNYZGAM-IEBDPFPHSA-N -1 0 345.226 3.607 20 0 EHADRM CCc1nsc(NC[C@@H](Cc2cccc3ccccc32)C(=O)[O-])n1 ZINC001597761109 989184693 /nfs/dbraw/zinc/18/46/93/989184693.db2.gz VXYAUFCFRIODIL-CQSZACIVSA-N -1 0 341.436 3.609 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN1CCCN(C)c2ccc(F)cc21 ZINC001597766511 989213934 /nfs/dbraw/zinc/21/39/34/989213934.db2.gz RZYRVSRGUUWRSY-UHFFFAOYSA-N -1 0 332.375 3.526 20 0 EHADRM CCc1oc(C(=O)[O-])cc1C[NH2+]C(C)(C)COCc1ccccc1 ZINC001597767345 989219219 /nfs/dbraw/zinc/21/92/19/989219219.db2.gz JLVJKURTYGZQFF-UHFFFAOYSA-N -1 0 331.412 3.625 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)c1cc(C(F)F)ccc1F ZINC001597772559 989240450 /nfs/dbraw/zinc/24/04/50/989240450.db2.gz ZXAYFWYPFQUEMM-UHFFFAOYSA-N -1 0 342.269 3.974 20 0 EHADRM CCc1sc(C(=O)[O-])cc1-c1cccc([C@@H](O)C(F)(F)F)n1 ZINC001597820595 989461288 /nfs/dbraw/zinc/46/12/88/989461288.db2.gz PIKBWQZAZBKNJN-GFCCVEGCSA-N -1 0 331.315 3.666 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC001599882849 989508555 /nfs/dbraw/zinc/50/85/55/989508555.db2.gz GVXQLUGOWQGDTD-ZENOOKHLSA-N -1 0 342.222 3.563 20 0 EHADRM CCn1cc(Cl)cc1C(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-] ZINC001597895761 989758853 /nfs/dbraw/zinc/75/88/53/989758853.db2.gz VNFTWJITVKYCDJ-UHFFFAOYSA-N -1 0 345.157 3.904 20 0 EHADRM CCn1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccc3ccccc32)c1C ZINC001597901994 989775543 /nfs/dbraw/zinc/77/55/43/989775543.db2.gz DKLBJYQRMRVZRK-GOSISDBHSA-N -1 0 336.391 3.525 20 0 EHADRM CC(C)(C)OC(=O)c1ccc(CN[C@@H](C(=O)[O-])c2cccs2)cc1 ZINC001590364049 989825263 /nfs/dbraw/zinc/82/52/63/989825263.db2.gz COVCKUONQPSKBG-OAHLLOKOSA-N -1 0 347.436 3.619 20 0 EHADRM CCn1ccnc1[C@H]1CCCCN1Cc1cccc(C(=O)[O-])c1Cl ZINC001597916394 989833457 /nfs/dbraw/zinc/83/34/57/989833457.db2.gz MFKBKRZITWUMBL-OAHLLOKOSA-N -1 0 347.846 3.982 20 0 EHADRM CCn1ccnc1[C@@H]1CCCCN1Cc1cccc(C(=O)[O-])c1Cl ZINC001597916393 989833919 /nfs/dbraw/zinc/83/39/19/989833919.db2.gz MFKBKRZITWUMBL-HNNXBMFYSA-N -1 0 347.846 3.982 20 0 EHADRM CC(C)(C)Oc1cccc(NC(=O)Cc2ccccc2C(=O)[O-])c1 ZINC001590419559 989960310 /nfs/dbraw/zinc/96/03/10/989960310.db2.gz CIOMXECIJOLLDZ-UHFFFAOYSA-N -1 0 327.380 3.743 20 0 EHADRM CC(C)(C)Oc1cccc(CNCc2cc(C(=O)[O-])ccc2Cl)n1 ZINC001590420493 989964974 /nfs/dbraw/zinc/96/49/74/989964974.db2.gz USNZUNOXKJWGMN-UHFFFAOYSA-N -1 0 348.830 3.900 20 0 EHADRM CC(C)(C)c1cc(Nc2cccc(CSCC(=O)[O-])c2)ncn1 ZINC001590462194 990032722 /nfs/dbraw/zinc/03/27/22/990032722.db2.gz QCRYVMJOVFUBPS-UHFFFAOYSA-N -1 0 331.441 3.836 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)Nc2ccns2)cc1 ZINC001590480468 990065039 /nfs/dbraw/zinc/06/50/39/990065039.db2.gz QRYIYFYSYHDSEZ-ZDUSSCGKSA-N -1 0 347.440 3.778 20 0 EHADRM CC(C)(C)c1ccc(OCC(=O)Oc2ccc(CC(=O)[O-])cc2)cc1 ZINC001590493318 990095291 /nfs/dbraw/zinc/09/52/91/990095291.db2.gz JSGXSAQROFJNCA-UHFFFAOYSA-N -1 0 342.391 3.596 20 0 EHADRM CN(C(=O)[C@H]1CC(C)(C)Oc2ccccc21)c1ccccc1C(=O)[O-] ZINC001597997031 990108841 /nfs/dbraw/zinc/10/88/41/990108841.db2.gz IBTUPSNKVQUTPC-HNNXBMFYSA-N -1 0 339.391 3.693 20 0 EHADRM CN(C(=O)[C@@H]1CC(C)(C)Oc2ccccc21)c1ccccc1C(=O)[O-] ZINC001597997032 990108921 /nfs/dbraw/zinc/10/89/21/990108921.db2.gz IBTUPSNKVQUTPC-OAHLLOKOSA-N -1 0 339.391 3.693 20 0 EHADRM CC(C)(C)c1cccc(OS(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC001590498832 990110372 /nfs/dbraw/zinc/11/03/72/990110372.db2.gz KMMZEGYRXBGEGB-UHFFFAOYSA-N -1 0 340.422 3.512 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCN2C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001590500305 990114890 /nfs/dbraw/zinc/11/48/90/990114890.db2.gz GOLIAMXKNMLIDK-RMKNXTFCSA-N -1 0 339.391 3.878 20 0 EHADRM CC(C)(C)c1cnc(CN2CCC(c3cc(C(=O)[O-])on3)CC2)s1 ZINC001590515773 990130743 /nfs/dbraw/zinc/13/07/43/990130743.db2.gz GHQHFUJSZYMHLB-UHFFFAOYSA-N -1 0 349.456 3.506 20 0 EHADRM CC(C)(C)c1ncc(/C=C\C(=O)Nc2cc(C(=O)[O-])cs2)s1 ZINC000588592786 1032118526 /nfs/dbraw/zinc/11/85/26/1032118526.db2.gz GVIUHYBZOHVOKO-PLNGDYQASA-N -1 0 336.438 3.852 20 0 EHADRM CC(C)(C)c1nc2ccc(NC(=O)NC3(CC(=O)[O-])CC3)cc2s1 ZINC001590545838 990185677 /nfs/dbraw/zinc/18/56/77/990185677.db2.gz QRIZRJRPIKATIZ-UHFFFAOYSA-N -1 0 347.440 3.723 20 0 EHADRM O=C(N[C@@H](C[C@H]1CCOC1)c1ccccc1)c1c([O-])cc(F)cc1F ZINC000119865246 1015546130 /nfs/dbraw/zinc/54/61/30/1015546130.db2.gz HUNRVTODBMPLHW-WBMJQRKESA-N -1 0 347.361 3.568 20 0 EHADRM O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1c([O-])cc(F)cc1F ZINC000119864948 1015546687 /nfs/dbraw/zinc/54/66/87/1015546687.db2.gz HUNRVTODBMPLHW-LRDDRELGSA-N -1 0 347.361 3.568 20 0 EHADRM O=C(N[C@H](C[C@H]1CCOC1)c1ccccc1)c1c([O-])cc(F)cc1F ZINC000119865083 1015547066 /nfs/dbraw/zinc/54/70/66/1015547066.db2.gz HUNRVTODBMPLHW-MLGOLLRUSA-N -1 0 347.361 3.568 20 0 EHADRM CC(C)(C)n1nc(C(=O)O[C@H](C(=O)[O-])c2ccsc2)cc1C1CC1 ZINC001590601183 990257470 /nfs/dbraw/zinc/25/74/70/990257470.db2.gz AGRTWSCOEOXZKN-AWEZNQCLSA-N -1 0 348.424 3.560 20 0 EHADRM CC(C)(C)n1cnnc1S[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001590602750 990261402 /nfs/dbraw/zinc/26/14/02/990261402.db2.gz DGBJSWPCHCTTHJ-LLVKDONJSA-N -1 0 325.821 3.605 20 0 EHADRM CN(C(=O)Cc1cccc(C(=O)[O-])c1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001598036532 990263611 /nfs/dbraw/zinc/26/36/11/990263611.db2.gz LFHILGVJFXFNPV-RBUKOAKNSA-N -1 0 337.419 3.722 20 0 EHADRM CC(C)(CC(=O)NCc1ccoc1C(=O)[O-])Cc1ccc(Cl)cc1 ZINC001590621885 990304010 /nfs/dbraw/zinc/30/40/10/990304010.db2.gz RBZNOZOKDDVLHK-UHFFFAOYSA-N -1 0 349.814 3.906 20 0 EHADRM CN(C(=O)c1cc2c(cccc2C2CC2)[nH]1)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598078540 990386898 /nfs/dbraw/zinc/38/68/98/990386898.db2.gz CDGWVFSQRJJVEO-LJQANCHMSA-N -1 0 348.402 3.943 20 0 EHADRM CC(C)(CCNC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1)C1CC1 ZINC001590679399 990390241 /nfs/dbraw/zinc/39/02/41/990390241.db2.gz BNFZIPNLADBICV-UHFFFAOYSA-N -1 0 329.400 3.814 20 0 EHADRM CC(C)(CNC(=O)Nc1cc(Cl)c(F)c(Cl)c1)CC(=O)[O-] ZINC001590726962 990523970 /nfs/dbraw/zinc/52/39/70/990523970.db2.gz MZNLNLJXHXJTQU-UHFFFAOYSA-N -1 0 337.178 3.755 20 0 EHADRM CC(C)(CNc1nccnc1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001590780190 990593232 /nfs/dbraw/zinc/59/32/32/990593232.db2.gz SEBGXVACRGFDKM-UHFFFAOYSA-N -1 0 339.317 3.583 20 0 EHADRM CC(C)(Cc1ccccc1Cl)NC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001590827768 990678135 /nfs/dbraw/zinc/67/81/35/990678135.db2.gz ZFZRMOMXLSNORK-FPLPWBNLSA-N -1 0 347.798 3.782 20 0 EHADRM CC(C)(NC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1)C1CC1 ZINC001590855640 990741025 /nfs/dbraw/zinc/74/10/25/990741025.db2.gz HPUZMCWVTPYUKS-UHFFFAOYSA-N -1 0 345.443 3.685 20 0 EHADRM CC1(C)CC[C@@H](CNC(=O)c2cc(Cl)c3ccccc3c2[O-])O1 ZINC001625811597 1015586523 /nfs/dbraw/zinc/58/65/23/1015586523.db2.gz MKDWLWYVMWDALI-NSHDSACASA-N -1 0 333.815 3.886 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)N(Cc2ccccc2)[C@H](C)C(=O)[O-])C1(C)C ZINC001590914625 990899631 /nfs/dbraw/zinc/89/96/31/990899631.db2.gz JWWDGGKYHKYJFN-DJIMGWMZSA-N -1 0 329.440 3.727 20 0 EHADRM CC(C)=CCCNC(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001590920721 990905813 /nfs/dbraw/zinc/90/58/13/990905813.db2.gz FLKBSFTZURFULN-ZDUSSCGKSA-N -1 0 344.333 3.644 20 0 EHADRM CC(C)[C@H](C(=O)NCc1ccccc1C(=O)[O-])c1ccc(F)cc1 ZINC001590957718 991042313 /nfs/dbraw/zinc/04/23/13/991042313.db2.gz PZXOFETZZZVUSY-KRWDZBQOSA-N -1 0 329.371 3.580 20 0 EHADRM COc1cccc2c1[C@@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1C)CC2 ZINC001599689472 991044160 /nfs/dbraw/zinc/04/41/60/991044160.db2.gz HOYBHZAIUUPLNP-LBPRGKRZSA-N -1 0 343.354 3.509 20 0 EHADRM COc1cccc2c1CC[C@H](Nc1cccc([C@H](C)C(=O)[O-])c1)C2 ZINC001599690101 991054860 /nfs/dbraw/zinc/05/48/60/991054860.db2.gz SYZAYQHTDSBULS-GUYCJALGSA-N -1 0 325.408 3.853 20 0 EHADRM CC(C)[C@@H](C(=O)OCc1cccc(C(=O)[O-])n1)c1cccc(Cl)c1 ZINC001590961635 991060698 /nfs/dbraw/zinc/06/06/98/991060698.db2.gz UBRWQRTZCJDLIU-MRXNPFEDSA-N -1 0 347.798 3.916 20 0 EHADRM CC(C)[C@@H](CC(=O)OCc1nc(C(=O)[O-])cs1)c1ccccc1 ZINC001590976275 991123740 /nfs/dbraw/zinc/12/37/40/991123740.db2.gz OLNWZUNSMIEFKR-CYBMUJFWSA-N -1 0 333.409 3.714 20 0 EHADRM CC(C)C(CNC(=O)NCCCCC1(C(=O)[O-])CCC1)C(C)C ZINC001590983361 991160663 /nfs/dbraw/zinc/16/06/63/991160663.db2.gz JGSRLPJJWOAPSK-UHFFFAOYSA-N -1 0 326.481 3.639 20 0 EHADRM COc1ccccc1C1(CNc2cc(C(=O)[O-])ccn2)CCCC1 ZINC001599703501 991257343 /nfs/dbraw/zinc/25/73/43/991257343.db2.gz HYQYYSLSVNALOC-UHFFFAOYSA-N -1 0 326.396 3.712 20 0 EHADRM COc1ccccc1[C@H]1CC[C@@H](C)CN1Cc1nc(C(=O)[O-])cs1 ZINC001599704289 991269899 /nfs/dbraw/zinc/26/98/99/991269899.db2.gz PHHXXUDQKWTRPF-IUODEOHRSA-N -1 0 346.452 3.823 20 0 EHADRM CC(C)[C@@H](NCc1nc2cc(C(=O)[O-])ccc2[nH]1)c1ccccc1F ZINC001591033880 991350279 /nfs/dbraw/zinc/35/02/79/991350279.db2.gz WQRSYJLDMBMWMO-GOSISDBHSA-N -1 0 341.386 3.887 20 0 EHADRM CN(C)c1ccc(OC(=O)C[C@@H]2CCCCC2(C)C)cc1C(=O)[O-] ZINC001598328783 991356172 /nfs/dbraw/zinc/35/61/72/991356172.db2.gz BKLHGDUTQJDHLV-ZDUSSCGKSA-N -1 0 333.428 3.963 20 0 EHADRM CC(C)[C@H](OC(=O)c1ccc(C2SCCCS2)cc1)C(=O)[O-] ZINC001591046942 991438115 /nfs/dbraw/zinc/43/81/15/991438115.db2.gz HPGIAWRFEQNMAQ-ZDUSSCGKSA-N -1 0 340.466 3.821 20 0 EHADRM COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1scc(C)c1C(=O)[O-] ZINC001599718981 991504623 /nfs/dbraw/zinc/50/46/23/991504623.db2.gz NWYRSDNRBPZNPK-NWDGAFQWSA-N -1 0 331.393 3.506 20 0 EHADRM COc1ccccc1[C@H](C)NC(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001599719285 991509072 /nfs/dbraw/zinc/50/90/72/991509072.db2.gz JDKIRAUSGVRHNI-LBPRGKRZSA-N -1 0 328.368 3.585 20 0 EHADRM CC(C)C1CCC(CNC(=O)Nc2ccc(OCC(=O)[O-])cc2)CC1 ZINC001591080024 991577982 /nfs/dbraw/zinc/57/79/82/991577982.db2.gz NFAUIOFATXDVMI-UHFFFAOYSA-N -1 0 348.443 3.734 20 0 EHADRM CC(C)[C@H]1CCCCN1C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001591089317 991632905 /nfs/dbraw/zinc/63/29/05/991632905.db2.gz VBWCVDAWFUHBPW-MRXNPFEDSA-N -1 0 341.411 3.975 20 0 EHADRM CC(C)C1CCN(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)CC1 ZINC001591092192 991638825 /nfs/dbraw/zinc/63/88/25/991638825.db2.gz FOWLJMDPIDLYJJ-UHFFFAOYSA-N -1 0 341.411 3.833 20 0 EHADRM CC(C)[C@H]1CN(C(=O)Nc2cc(C(=O)[O-])ccn2)c2ccccc21 ZINC001591092903 991651507 /nfs/dbraw/zinc/65/15/07/991651507.db2.gz GTSZENNFRLYXKN-CQSZACIVSA-N -1 0 325.368 3.572 20 0 EHADRM CC(C)[C@@H]1CCN1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001591094012 991667246 /nfs/dbraw/zinc/66/72/46/991667246.db2.gz FCXWXSNTOAPDDA-HNNXBMFYSA-N -1 0 336.457 3.657 20 0 EHADRM COc1coc(CSc2cc3ccccc3cc2C(=O)[O-])cc1=O ZINC001599728675 991672809 /nfs/dbraw/zinc/67/28/09/991672809.db2.gz HNSOMJKMPYJBJO-UHFFFAOYSA-N -1 0 342.372 3.792 20 0 EHADRM CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)c1ccc(C(=O)[O-])o1 ZINC001591095584 991682669 /nfs/dbraw/zinc/68/26/69/991682669.db2.gz XIIJEMUODPBKQR-DYVFJYSZSA-N -1 0 327.380 3.667 20 0 EHADRM CC(C)[C@@H]1OCCC[C@H]1CNc1ncc(C(=O)[O-])cc1C(F)(F)F ZINC001591104374 991726349 /nfs/dbraw/zinc/72/63/49/991726349.db2.gz ALYSHIKPAKATQL-GWCFXTLKSA-N -1 0 346.349 3.662 20 0 EHADRM CC(C)[C@@H]1c2ccccc2CCN1C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001591104568 991729359 /nfs/dbraw/zinc/72/93/59/991729359.db2.gz HSHROEPMXBSEKU-IHHMQQGQSA-N -1 0 339.391 3.773 20 0 EHADRM CC(C)C[C@@H](C(=O)Nc1[nH]cnc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001591121378 991795341 /nfs/dbraw/zinc/79/53/41/991795341.db2.gz UVQOODQYNZTRFK-GFCCVEGCSA-N -1 0 335.791 3.530 20 0 EHADRM CC(C)C[C@H](CNC(=O)CCCCc1ccc(Cl)cc1)C(=O)[O-] ZINC001591149230 991888377 /nfs/dbraw/zinc/88/83/77/991888377.db2.gz LEENFCHYKFKKCA-OAHLLOKOSA-N -1 0 339.863 3.916 20 0 EHADRM CN(C[C@@H]1CC=CCC1)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001598453124 991910088 /nfs/dbraw/zinc/91/00/88/991910088.db2.gz ATSJLUOQUNFRIY-CQSZACIVSA-N -1 0 348.468 3.824 20 0 EHADRM CC(C)C[C@@H](CNc1ncnc2sc3c(c21)CC[C@@H](C)C3)C(=O)[O-] ZINC001591162928 991927855 /nfs/dbraw/zinc/92/78/55/991927855.db2.gz PXXFEJSRPBWTGF-NEPJUHHUSA-N -1 0 347.484 3.975 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)CSCc1ccc(C(C)(C)C)cc1 ZINC001598474238 992062741 /nfs/dbraw/zinc/06/27/41/992062741.db2.gz CUDNFGOMZBNMKI-UHFFFAOYSA-N -1 0 337.485 3.541 20 0 EHADRM CN(CCCCc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001598476264 992081116 /nfs/dbraw/zinc/08/11/16/992081116.db2.gz MDOREOZLZHLAQU-UHFFFAOYSA-N -1 0 346.452 3.611 20 0 EHADRM CC(C)CCO[C@H]1CC[C@H](NC(=O)c2ccsc2C(=O)[O-])CC1 ZINC001591259789 992164407 /nfs/dbraw/zinc/16/44/07/992164407.db2.gz OJRAFSPNXIEIKO-JOCQHMNTSA-N -1 0 339.457 3.550 20 0 EHADRM CC(C)CCOc1ccccc1NC(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC001591266174 992178364 /nfs/dbraw/zinc/17/83/64/992178364.db2.gz XJQAULNJQLOAJA-HNNXBMFYSA-N -1 0 348.443 3.734 20 0 EHADRM CC(C)CCn1ncc(NCc2nc(C(=O)[O-])cs2)c1C(C)C ZINC001591275967 992196914 /nfs/dbraw/zinc/19/69/14/992196914.db2.gz AEXFKJPDZVXYOL-UHFFFAOYSA-N -1 0 336.461 3.819 20 0 EHADRM CC(C)CN(C(=O)COc1ccccc1C(C)C)C(C)(C)C(=O)[O-] ZINC001591280168 992206212 /nfs/dbraw/zinc/20/62/12/992206212.db2.gz DGXCNAHXCYJOFN-UHFFFAOYSA-N -1 0 335.444 3.537 20 0 EHADRM CC(C)CN(C(=O)c1csc(C(=O)[O-])n1)c1ccc(Cl)cc1 ZINC001591284965 992221743 /nfs/dbraw/zinc/22/17/43/992221743.db2.gz IZRCIJLXALRZBZ-UHFFFAOYSA-N -1 0 338.816 3.798 20 0 EHADRM CC(C)CN(C(=O)c1csc(-c2ccccc2)n1)C(C)(C)C(=O)[O-] ZINC001591285170 992222792 /nfs/dbraw/zinc/22/27/92/992222792.db2.gz NMJWBECSBINZAZ-UHFFFAOYSA-N -1 0 346.452 3.772 20 0 EHADRM CC(C)CN(C(=O)c1ccnc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC001591285204 992223388 /nfs/dbraw/zinc/22/33/88/992223388.db2.gz PBNJHVAJWVNAAT-UHFFFAOYSA-N -1 0 332.787 3.736 20 0 EHADRM CS[C@@H](C(=O)NCC1(CC(=O)[O-])CCCCC1)c1ccccc1 ZINC001599779685 992348360 /nfs/dbraw/zinc/34/83/60/992348360.db2.gz DOQJRNNRFSHINZ-MRXNPFEDSA-N -1 0 335.469 3.632 20 0 EHADRM CS[C@@H](C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC001599780333 992356370 /nfs/dbraw/zinc/35/63/70/992356370.db2.gz IQLZLTDDRWTBRX-NVXWUHKLSA-N -1 0 341.432 3.696 20 0 EHADRM CN(CCOC(C)(C)C)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001598496738 992377090 /nfs/dbraw/zinc/37/70/90/992377090.db2.gz BRRFGHFFXVAZBA-UHFFFAOYSA-N -1 0 344.411 3.817 20 0 EHADRM CC(C)COC[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccco1 ZINC001591390693 992445534 /nfs/dbraw/zinc/44/55/34/992445534.db2.gz KDILAWHJVYYREY-HNNXBMFYSA-N -1 0 346.383 3.513 20 0 EHADRM CC(C)COc1cccc(NC(=O)N[C@@H](CC(=O)[O-])C2CCCC2)c1 ZINC001591401842 992478246 /nfs/dbraw/zinc/47/82/46/992478246.db2.gz CXBQDLVKQNRBAO-KRWDZBQOSA-N -1 0 348.443 3.876 20 0 EHADRM CC(C)COc1ccccc1NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001591409690 992485229 /nfs/dbraw/zinc/48/52/29/992485229.db2.gz KAJXZPCYSKVGNY-HNNXBMFYSA-N -1 0 348.443 3.830 20 0 EHADRM CN(Cc1ccoc1C(=O)[O-])Cc1cc(Br)ccc1F ZINC001598504954 992490698 /nfs/dbraw/zinc/49/06/98/992490698.db2.gz SHPLTUIIIMOTAD-UHFFFAOYSA-N -1 0 342.164 3.511 20 0 EHADRM CN(Cc1c(F)cccc1Cl)C(=O)c1ccsc1C(=O)[O-] ZINC001598505201 992494143 /nfs/dbraw/zinc/49/41/43/992494143.db2.gz FPFLLHNOGCHWRH-UHFFFAOYSA-N -1 0 327.764 3.511 20 0 EHADRM CN(Cc1cc(F)cc(F)c1)c1ncc(C(=O)[O-])cc1C(F)(F)F ZINC001598508564 992536742 /nfs/dbraw/zinc/53/67/42/992536742.db2.gz OXSVNOLJKNKZMW-UHFFFAOYSA-N -1 0 346.255 3.713 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1ccc(C(C)(F)F)cc1 ZINC001598511940 992574111 /nfs/dbraw/zinc/57/41/11/992574111.db2.gz FTTITWYJDMJSCG-UHFFFAOYSA-N -1 0 333.334 3.769 20 0 EHADRM CC(C)Cc1c[nH]c(C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)c1 ZINC001591475822 992591345 /nfs/dbraw/zinc/59/13/45/992591345.db2.gz JBBPPHLCWNDOHK-UHFFFAOYSA-N -1 0 344.411 3.951 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)NCc2ccccc2C(=O)[O-])cc1 ZINC001591483527 992603850 /nfs/dbraw/zinc/60/38/50/992603850.db2.gz IZYCHDQYJYWQII-UHFFFAOYSA-N -1 0 339.435 3.832 20 0 EHADRM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001598516520 992621631 /nfs/dbraw/zinc/62/16/31/992621631.db2.gz KMEMYZJQXJSROD-BENRWUELSA-N -1 0 341.407 3.947 20 0 EHADRM CN(Cc1ccc(Cl)s1)Cn1ncc2cc(C(=O)[O-])ccc21 ZINC001598517413 992634091 /nfs/dbraw/zinc/63/40/91/992634091.db2.gz IKTQBOSYWVZKFF-UHFFFAOYSA-N -1 0 335.816 3.539 20 0 EHADRM CN(Cc1ccc(Cl)cc1)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001598517749 992638679 /nfs/dbraw/zinc/63/86/79/992638679.db2.gz HCIYNYBUYGSENY-UHFFFAOYSA-N -1 0 338.835 3.517 20 0 EHADRM CC(C)Cn1cc(C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])c2ccccc21 ZINC001591520344 992687441 /nfs/dbraw/zinc/68/74/41/992687441.db2.gz RDPZZIJCTUQJCF-INIZCTEOSA-N -1 0 344.455 3.917 20 0 EHADRM CN(Cc1ccc2ccccc2c1)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001598524344 992700232 /nfs/dbraw/zinc/70/02/32/992700232.db2.gz BKYCBOOZOXNADD-UHFFFAOYSA-N -1 0 333.387 3.739 20 0 EHADRM CN(Cc1cccc2ccccc21)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001598526708 992729002 /nfs/dbraw/zinc/72/90/02/992729002.db2.gz OJNWMLBGKBIROT-PBHICJAKSA-N -1 0 340.423 3.625 20 0 EHADRM CN(Cc1ccccc1)C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC001598527580 992740188 /nfs/dbraw/zinc/74/01/88/992740188.db2.gz SWMTWKBRMIQAIO-UHFFFAOYSA-N -1 0 330.409 3.988 20 0 EHADRM CN(Cc1cncc(Cl)c1Cl)[C@H](C(=O)[O-])c1ccccc1 ZINC001598533202 992812977 /nfs/dbraw/zinc/81/29/77/992812977.db2.gz OGSKIAWVWICMQR-AWEZNQCLSA-N -1 0 325.195 3.646 20 0 EHADRM CC(C)N(Cc1nc2cc(C(=O)[O-])ccc2[nH]1)Cc1ccc(F)cc1 ZINC001591596723 992824951 /nfs/dbraw/zinc/82/49/51/992824951.db2.gz NTTQJKAHTKCNHU-UHFFFAOYSA-N -1 0 341.386 3.811 20 0 EHADRM CN(Cc1nc(-c2cccc(C(=O)[O-])c2)cs1)C(=O)OC(C)(C)C ZINC001598536864 992849567 /nfs/dbraw/zinc/84/95/67/992849567.db2.gz QWXUFDZCJAMLNR-UHFFFAOYSA-N -1 0 348.424 3.875 20 0 EHADRM CN(Cc1nc2cc(Cl)ccc2n1C)c1ccccc1C(=O)[O-] ZINC001598537749 992860151 /nfs/dbraw/zinc/86/01/51/992860151.db2.gz LTDAADUVXZNNNA-UHFFFAOYSA-N -1 0 329.787 3.561 20 0 EHADRM CN(Cc1ncc(C(=O)[O-])s1)Cc1cccc(Cl)c1Cl ZINC001598538205 992865840 /nfs/dbraw/zinc/86/58/40/992865840.db2.gz IBDCKBYYKPYUBS-UHFFFAOYSA-N -1 0 331.224 3.780 20 0 EHADRM COc1ccc(N(C(=O)c2cc(C)c(C(=O)[O-])o2)[C@H](C)C2CC2)cc1 ZINC001599583410 993581616 /nfs/dbraw/zinc/58/16/16/993581616.db2.gz UMHHRNXCSBWDEH-GFCCVEGCSA-N -1 0 343.379 3.740 20 0 EHADRM C[C@@H](NC(=O)NCC(C)(C)CC(=O)[O-])C1(c2ccccc2)CCCC1 ZINC001593081134 993657889 /nfs/dbraw/zinc/65/78/89/993657889.db2.gz GIODYALQCLJLFD-OAHLLOKOSA-N -1 0 346.471 3.687 20 0 EHADRM COc1ccc(OC(=O)c2cccc(CC(=O)[O-])c2)c2ccccc12 ZINC001599600083 993802904 /nfs/dbraw/zinc/80/29/04/993802904.db2.gz DMAIVFRTLKANMX-UHFFFAOYSA-N -1 0 336.343 3.695 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C)C1CCCCC1 ZINC001593116693 993812314 /nfs/dbraw/zinc/81/23/14/993812314.db2.gz INTLMAYTCARNCW-GFCCVEGCSA-N -1 0 333.432 3.541 20 0 EHADRM C[C@](NC(=O)c1cc2cccc(Cl)c2o1)(C(=O)[O-])c1ccccc1 ZINC001593154318 993962553 /nfs/dbraw/zinc/96/25/53/993962553.db2.gz CCIVEHAQAWFJOQ-GOSISDBHSA-N -1 0 343.766 3.816 20 0 EHADRM C[C@@H](NC(=O)c1ccc2c(c1)CCC=C2)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593171834 994035461 /nfs/dbraw/zinc/03/54/61/994035461.db2.gz HZLREVLDVPGZCZ-FOIQADDNSA-N -1 0 349.430 3.708 20 0 EHADRM C[C@@H](NC(=O)c1ccccc1CC(C)(C)C)c1ncc(C(=O)[O-])s1 ZINC001593179226 994062004 /nfs/dbraw/zinc/06/20/04/994062004.db2.gz PBQHLHFRVYDLEN-LLVKDONJSA-N -1 0 346.452 3.921 20 0 EHADRM COc1ccc2c(c1)[C@H](C(=O)Nc1c(F)cccc1C(=O)[O-])CCC2 ZINC001599625749 994145845 /nfs/dbraw/zinc/14/58/45/994145845.db2.gz SNTOXAYRCDCLKT-CYBMUJFWSA-N -1 0 343.354 3.591 20 0 EHADRM COc1ccc2c(c1)CCC[C@@H]2N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001599628388 994182270 /nfs/dbraw/zinc/18/22/70/994182270.db2.gz KRKAKXQFFFTFMH-YGRLFVJLSA-N -1 0 332.425 3.578 20 0 EHADRM COc1ccc2c(c1)CCC[C@H]2N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001599628386 994182284 /nfs/dbraw/zinc/18/22/84/994182284.db2.gz KRKAKXQFFFTFMH-QMTHXVAHSA-N -1 0 332.425 3.578 20 0 EHADRM C[C@@H](N[C@@H](C)c1nc(-c2ccccc2)cs1)c1nc(C(=O)[O-])co1 ZINC001593203290 994185945 /nfs/dbraw/zinc/18/59/45/994185945.db2.gz DCCOXUZJKQKANQ-MNOVXSKESA-N -1 0 343.408 3.908 20 0 EHADRM C[C@@H](N[C@@H](C)c1ccc(OCC(=O)[O-])cc1)c1ncc(C(C)(C)C)o1 ZINC001593203471 994187314 /nfs/dbraw/zinc/18/73/14/994187314.db2.gz FAYHYNWOLXHIQK-QWHCGFSZSA-N -1 0 346.427 3.847 20 0 EHADRM C[C@H](N[C@@H](C)c1nc2ccccc2s1)c1ncc(C(=O)[O-])s1 ZINC001593204281 994199557 /nfs/dbraw/zinc/19/95/57/994199557.db2.gz PBARDQLXFRCFEZ-IUCAKERBSA-N -1 0 333.438 3.863 20 0 EHADRM C[C@H](N[C@@H](CO)c1cccc(Cl)c1Cl)c1ccc(C(=O)[O-])o1 ZINC001593208749 994229987 /nfs/dbraw/zinc/22/99/87/994229987.db2.gz JHFNUTYKLXQKFT-KWQFWETISA-N -1 0 344.194 3.669 20 0 EHADRM COc1ccc2cc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])ccc2c1 ZINC001599634348 994265288 /nfs/dbraw/zinc/26/52/88/994265288.db2.gz KHJYNEAHZZUJPR-DLBZAZTESA-N -1 0 327.380 3.678 20 0 EHADRM C[C@@H](N[C@@H]1CCCOc2cc(F)ccc21)c1ncc(C(=O)[O-])s1 ZINC001593217899 994278197 /nfs/dbraw/zinc/27/81/97/994278197.db2.gz DIDYNXOZAJXDPN-BXKDBHETSA-N -1 0 336.388 3.545 20 0 EHADRM COc1ccc2cc(C(=O)Nc3c(C)sc(C)c3C(=O)[O-])[nH]c2c1 ZINC001599636795 994300796 /nfs/dbraw/zinc/30/07/96/994300796.db2.gz ZDTYGJURNWNCHZ-UHFFFAOYSA-N -1 0 344.392 3.805 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C(C)C)C3CC3)n2)c1 ZINC000547758436 1015871373 /nfs/dbraw/zinc/87/13/73/1015871373.db2.gz NUKPZDBTHYWOOS-UHFFFAOYSA-N -1 0 327.428 3.714 20 0 EHADRM COc1cccc([C@H](C)SCC(=O)Nc2ccccc2C(=O)[O-])c1 ZINC001599657268 994602330 /nfs/dbraw/zinc/60/23/30/994602330.db2.gz LRKDQKPYZBJPJX-LBPRGKRZSA-N -1 0 345.420 3.826 20 0 EHADRM COc1cccc(C(F)F)c1C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001599657468 994605119 /nfs/dbraw/zinc/60/51/19/994605119.db2.gz MRLHCJGBFIVHAQ-UHFFFAOYSA-N -1 0 349.333 3.603 20 0 EHADRM C[C@@H](NCc1cc(C(=O)[O-])ccc1F)c1nc(C2CCCCC2)no1 ZINC001593289621 994666542 /nfs/dbraw/zinc/66/65/42/994666542.db2.gz VWPCLVNAPGQAPD-LLVKDONJSA-N -1 0 347.390 3.805 20 0 EHADRM C[C@H](NCc1ccc(C(=O)[O-])cc1F)c1nc2ccccc2s1 ZINC001593296427 994697083 /nfs/dbraw/zinc/69/70/83/994697083.db2.gz LROULNLRSWHYKQ-JTQLQIEISA-N -1 0 330.384 3.984 20 0 EHADRM COc1cccc(CC(=O)Nc2c(C)c(C(=O)[O-])ccc2Cl)c1 ZINC001599665201 994719099 /nfs/dbraw/zinc/71/90/99/994719099.db2.gz MOTNWPGCYLPJCE-UHFFFAOYSA-N -1 0 333.771 3.536 20 0 EHADRM C[C@@H](NCc1nc(C(=O)[O-])cs1)c1cccc(C(F)(F)F)c1 ZINC001593312267 994797839 /nfs/dbraw/zinc/79/78/39/994797839.db2.gz RWECBIUBRKLBKU-MRVPVSSYSA-N -1 0 330.331 3.711 20 0 EHADRM C[C@@H](NCc1csc(-c2ccc(C(=O)[O-])cc2)n1)c1cccnc1 ZINC001593312349 994799496 /nfs/dbraw/zinc/79/94/96/994799496.db2.gz UNJJOYBVGACPDE-GFCCVEGCSA-N -1 0 339.420 3.754 20 0 EHADRM COc1cccc(CCC(=O)OCc2cc(C(=O)[O-])ccc2C)c1F ZINC001599670575 994804646 /nfs/dbraw/zinc/80/46/46/994804646.db2.gz FNXXIEISMOEILW-UHFFFAOYSA-N -1 0 346.354 3.517 20 0 EHADRM C[C@H](NCc1noc(CCCC(=O)[O-])n1)c1cc2ccccc2s1 ZINC001593317282 994816865 /nfs/dbraw/zinc/81/68/65/994816865.db2.gz OAJDKKNBNUVQBV-NSHDSACASA-N -1 0 345.424 3.542 20 0 EHADRM CNc1ccc(Cl)c(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC001598679366 994901842 /nfs/dbraw/zinc/90/18/42/994901842.db2.gz FPPFYFTUWZENBB-BZNIZROVSA-N -1 0 346.814 3.574 20 0 EHADRM COc1cccc(Cl)c1Cc1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC001599677719 994926028 /nfs/dbraw/zinc/92/60/28/994926028.db2.gz VFUSKWLQPRVNHT-UHFFFAOYSA-N -1 0 344.754 3.688 20 0 EHADRM COc1cccc(Nc2ccc(NCCC(C)(C)C(=O)[O-])nc2)c1 ZINC001599680384 994971823 /nfs/dbraw/zinc/97/18/23/994971823.db2.gz OFFPLXQSIFYYSW-UHFFFAOYSA-N -1 0 329.400 3.747 20 0 EHADRM C[C@H](Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C)[C@H]1C[C@H]1C(=O)[O-] ZINC001593365648 995042534 /nfs/dbraw/zinc/04/25/34/995042534.db2.gz DPXNTBHNFRYBOP-NILFDRSVSA-N -1 0 346.427 3.505 20 0 EHADRM C[C@H](Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C)[C@@H]1C[C@H]1C(=O)[O-] ZINC001593365649 995042695 /nfs/dbraw/zinc/04/26/95/995042695.db2.gz DPXNTBHNFRYBOP-TUKIKUTGSA-N -1 0 346.427 3.505 20 0 EHADRM C[C@@H](Nc1nc2c(cccc2F)o1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593374934 995075728 /nfs/dbraw/zinc/07/57/28/995075728.db2.gz WSVIWNCLAIJCML-YPMHNXCESA-N -1 0 328.343 3.711 20 0 EHADRM C[C@H](O)CCc1ccc(OCc2c(Cl)cccc2C(=O)[O-])cc1 ZINC001593447256 995322193 /nfs/dbraw/zinc/32/21/93/995322193.db2.gz RAEXUFDRYUTYKY-LBPRGKRZSA-N -1 0 334.799 3.931 20 0 EHADRM C[C@H](OC(=O)[C@@H]1C[C@@]12CCCc1ccccc12)c1cc(C(=O)[O-])co1 ZINC001593502554 995509551 /nfs/dbraw/zinc/50/95/51/995509551.db2.gz WTVBCZRIJGLZKA-SLSDUTBNSA-N -1 0 340.375 3.876 20 0 EHADRM C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F)C1CCCC1 ZINC000079149443 1015957135 /nfs/dbraw/zinc/95/71/35/1015957135.db2.gz VMMFOJQMQMWKDW-VIFPVBQESA-N -1 0 333.812 3.951 20 0 EHADRM C[C@@H](OC(=O)CSc1ccc2c(c1)CCC2)c1cc(C(=O)[O-])co1 ZINC001593535655 995596691 /nfs/dbraw/zinc/59/66/91/995596691.db2.gz XARBEVHHOWKWIG-LLVKDONJSA-N -1 0 346.404 3.863 20 0 EHADRM C[C@@H](OC(=O)c1cc(-c2cccc(F)c2)no1)c1cc(C(=O)[O-])co1 ZINC001593552620 995629815 /nfs/dbraw/zinc/62/98/15/995629815.db2.gz DDLSLKUSPUMWEP-SECBINFHSA-N -1 0 345.282 3.690 20 0 EHADRM C[C@@H](OC(=O)c1cc(F)c(Cl)cc1F)c1ccc(C(=O)[O-])o1 ZINC001593564237 995655035 /nfs/dbraw/zinc/65/50/35/995655035.db2.gz HCWLSZAUXGLCJO-ZCFIWIBFSA-N -1 0 330.670 3.827 20 0 EHADRM C[C@H](OC(=O)c1ccc(C(=O)[O-])c(F)c1)c1csc(C2CC2)n1 ZINC001593574793 995680276 /nfs/dbraw/zinc/68/02/76/995680276.db2.gz MUXHPQVPQNASAK-QMMMGPOBSA-N -1 0 335.356 3.776 20 0 EHADRM C[C@@H](OC(=O)c1cccc(-n2cccc2)c1)c1ccc(C(=O)[O-])o1 ZINC001593585852 995704974 /nfs/dbraw/zinc/70/49/74/995704974.db2.gz MLQZHFGTOCZTSP-GFCCVEGCSA-N -1 0 325.320 3.687 20 0 EHADRM C[C@@H](OC(=O)c1ccccc1OCC1CC1)c1cc(C(=O)[O-])co1 ZINC001593592615 995722317 /nfs/dbraw/zinc/72/23/17/995722317.db2.gz VUBLLUREYJBGME-LLVKDONJSA-N -1 0 330.336 3.685 20 0 EHADRM C[C@@H](OC(=O)c1sccc1Br)c1ccc(C(=O)[O-])o1 ZINC001593601056 995754074 /nfs/dbraw/zinc/75/40/74/995754074.db2.gz FGKKDCFWQIRZHF-ZCFIWIBFSA-N -1 0 345.170 3.720 20 0 EHADRM C[C@H](OC1CCCCC1)C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001593603618 995771321 /nfs/dbraw/zinc/77/13/21/995771321.db2.gz XXQQHOLTGOATNH-NSHDSACASA-N -1 0 330.384 3.542 20 0 EHADRM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N([C@@H](C)C(=O)[O-])C1CCC1 ZINC001593612354 995814469 /nfs/dbraw/zinc/81/44/69/995814469.db2.gz QLOPKDZFHWBJSE-KBPBESRZSA-N -1 0 347.455 3.606 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(Cl)o1)c1ccc(Cl)c(F)c1 ZINC000238163504 1015980336 /nfs/dbraw/zinc/98/03/36/1015980336.db2.gz GVYXYWUJNPAKEI-SNVBAGLBSA-N -1 0 346.141 3.671 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)C(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])c1 ZINC001593636050 995936355 /nfs/dbraw/zinc/93/63/55/995936355.db2.gz IRURNKJXTBMFHF-JNAXZKDPSA-N -1 0 347.455 3.727 20 0 EHADRM C[C@@H](Oc1cccc2ccccc21)C(=O)Oc1ccc(C(=O)[O-])cc1 ZINC001593641137 995949026 /nfs/dbraw/zinc/94/90/26/995949026.db2.gz WEHGWQDVLPTNED-CYBMUJFWSA-N -1 0 336.343 3.911 20 0 EHADRM C[C@H](Oc1ccccc1CNc1ccc2c(c1)CC(C)(C)O2)C(=O)[O-] ZINC001593651918 996014858 /nfs/dbraw/zinc/01/48/58/996014858.db2.gz SUXCMUGGNBVVRF-ZDUSSCGKSA-N -1 0 341.407 3.864 20 0 EHADRM C[C@H](SCC(=O)[O-])c1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC001593656453 996025557 /nfs/dbraw/zinc/02/55/57/996025557.db2.gz DHSGRPYFSBGPPF-ZETCQYMHSA-N -1 0 336.394 3.536 20 0 EHADRM C[C@H](SCc1csc(-c2ccccn2)n1)c1nc(C(=O)[O-])co1 ZINC001593663571 996045321 /nfs/dbraw/zinc/04/53/21/996045321.db2.gz OEKXSGQEIDUJKY-VIFPVBQESA-N -1 0 347.421 3.886 20 0 EHADRM C[C@@H](SCc1noc(CCCC(=O)[O-])n1)c1ccc2c(c1)CCC2 ZINC001593664255 996050185 /nfs/dbraw/zinc/05/01/85/996050185.db2.gz KGRGHBGHLBNIIJ-GFCCVEGCSA-N -1 0 346.452 3.960 20 0 EHADRM C[C@H](Sc1ccc(F)cc1)C(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC001593667012 996055099 /nfs/dbraw/zinc/05/50/99/996055099.db2.gz IKOJFGOOSUQZJX-NSHDSACASA-N -1 0 345.395 3.594 20 0 EHADRM C[C@H](Sc1ccccc1-c1nnc(Cc2cccs2)o1)C(=O)[O-] ZINC001593668748 996066323 /nfs/dbraw/zinc/06/63/23/996066323.db2.gz WEFYGKRZDXPYMQ-JTQLQIEISA-N -1 0 346.433 3.954 20 0 EHADRM CC(C)c1cnc(S[C@@H](C)C(=O)C(C)(C)C(=O)[O-])n1C(C)C ZINC001593678237 996090681 /nfs/dbraw/zinc/09/06/81/996090681.db2.gz GVNFLHWKPKAXLG-NSHDSACASA-N -1 0 326.462 3.748 20 0 EHADRM C[C@@H](Sc1n[nH]c(-c2ccccc2F)n1)c1ccc(C(=O)[O-])o1 ZINC001593678689 996094014 /nfs/dbraw/zinc/09/40/14/996094014.db2.gz XDVPQXMJKVFWMW-MRVPVSSYSA-N -1 0 333.344 3.755 20 0 EHADRM C[C@@H](Sc1n[nH]c(Cc2cccs2)n1)c1ccc(C(=O)[O-])o1 ZINC001593679324 996099679 /nfs/dbraw/zinc/09/96/79/996099679.db2.gz IIQACUHJFLAUQT-MRVPVSSYSA-N -1 0 335.410 3.602 20 0 EHADRM C[C@@H](Sc1cncc(C(=O)[O-])n1)c1ccc(OC(F)(F)F)cc1 ZINC001593679930 996104555 /nfs/dbraw/zinc/10/45/55/996104555.db2.gz QSSDGINZUQPCNQ-MRVPVSSYSA-N -1 0 344.314 3.927 20 0 EHADRM C[C@H](c1ccc(C(=O)[O-])o1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC001593690564 996136090 /nfs/dbraw/zinc/13/60/90/996136090.db2.gz SYLGJYRZCBLQRF-MRVPVSSYSA-N -1 0 348.298 3.532 20 0 EHADRM Cc1cc2[nH]c(C(=O)N3Cc4ccccc4[C@@H](C(=O)[O-])C3)cc2c(C)c1 ZINC000347347384 1032135178 /nfs/dbraw/zinc/13/51/78/1032135178.db2.gz MUZREXHCEOEFLO-KRWDZBQOSA-N -1 0 348.402 3.609 20 0 EHADRM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001593697980 996159742 /nfs/dbraw/zinc/15/97/42/996159742.db2.gz CGQMTRZHDSRLEJ-MLRMMBSGSA-N -1 0 333.771 3.864 20 0 EHADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001593698945 996167986 /nfs/dbraw/zinc/16/79/86/996167986.db2.gz PBACQFGENREQRW-GXMKHXEJSA-N -1 0 333.771 3.864 20 0 EHADRM C[C@H](c1ccccc1)N(C)C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001593710356 996209629 /nfs/dbraw/zinc/20/96/29/996209629.db2.gz MJRQHOQGYFKYRN-CQSZACIVSA-N -1 0 342.395 3.765 20 0 EHADRM C[C@H](c1ccccc1)n1cc(NCc2ccc(C(=O)[O-])cc2F)cn1 ZINC001593714090 996227559 /nfs/dbraw/zinc/22/75/59/996227559.db2.gz SOTJOKWBPYAMPO-CYBMUJFWSA-N -1 0 339.370 3.942 20 0 EHADRM C[C@@H](c1ccccc1F)[C@@H](OC(=O)c1csc(C2CC2)n1)C(=O)[O-] ZINC001593718020 996238352 /nfs/dbraw/zinc/23/83/52/996238352.db2.gz XHTOULHCOGHGSV-LKFCYVNXSA-N -1 0 349.383 3.573 20 0 EHADRM C[C@H](c1nc(C(=O)[O-])co1)N1CCn2c(cc3c2cccc3Cl)C1 ZINC001593729531 996292152 /nfs/dbraw/zinc/29/21/52/996292152.db2.gz KLECSERAHMFFPW-SNVBAGLBSA-N -1 0 345.786 3.558 20 0 EHADRM C[C@@H](c1ncc(C(=O)[O-])s1)N(Cc1ccccc1)CC(F)F ZINC001593732021 996307022 /nfs/dbraw/zinc/30/70/22/996307022.db2.gz MCKYYZXTGVGVJC-JTQLQIEISA-N -1 0 326.368 3.670 20 0 EHADRM C[C@H](c1ncc(C(=O)[O-])s1)N1CC2(CCC2)c2c1cccc2F ZINC001593732482 996313550 /nfs/dbraw/zinc/31/35/50/996313550.db2.gz VMOFDBOAQUAIBF-SNVBAGLBSA-N -1 0 332.400 3.983 20 0 EHADRM C[C@]1(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)CCc2ccccc2C1 ZINC001593757727 996409744 /nfs/dbraw/zinc/40/97/44/996409744.db2.gz BERXOERZSHNADO-NRFANRHFSA-N -1 0 348.402 4.000 20 0 EHADRM CC1(C(=O)Nc2cc(C(=O)[O-])cnc2Cl)CCC(F)(F)CC1 ZINC001593757842 996410605 /nfs/dbraw/zinc/41/06/05/996410605.db2.gz FAFZZEKDGULNNY-UHFFFAOYSA-N -1 0 332.734 3.587 20 0 EHADRM CC1(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)CC=CC1 ZINC001593760444 996418742 /nfs/dbraw/zinc/41/87/42/996418742.db2.gz XJISQZTWRKNKJB-UHFFFAOYSA-N -1 0 328.412 3.670 20 0 EHADRM CC1(C(=O)Nc2nc(-c3ccc(C(=O)[O-])cc3)cs2)CC=CC1 ZINC001593761538 996422451 /nfs/dbraw/zinc/42/24/51/996422451.db2.gz KWDRLBOXXAILBC-UHFFFAOYSA-N -1 0 328.393 3.803 20 0 EHADRM C[C@@]1(C(=O)Nc2ncc(Cc3cccc(C(=O)[O-])c3)s2)C=CCC1 ZINC001593761736 996424239 /nfs/dbraw/zinc/42/42/39/996424239.db2.gz DJPMRWQQUABWFB-GOSISDBHSA-N -1 0 342.420 3.727 20 0 EHADRM COC(=O)CC(C)(C)C[C@H](C)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001598833811 996463900 /nfs/dbraw/zinc/46/39/00/996463900.db2.gz KLKOCKNQRCCUIV-NSHDSACASA-N -1 0 332.400 3.646 20 0 EHADRM COC(=O)C[C@H](C)S[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001598837529 996497975 /nfs/dbraw/zinc/49/79/75/996497975.db2.gz FPASTMRLUIIAOW-QPUJVOFHSA-N -1 0 336.331 3.516 20 0 EHADRM CC1(C)CC(C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)CC(C)(C)C1 ZINC001593848359 996619639 /nfs/dbraw/zinc/61/96/39/996619639.db2.gz PWJLFGWMJOFQFO-MRXNPFEDSA-N -1 0 349.446 3.963 20 0 EHADRM CC1(C)C[C@H](NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)c2ccccc21 ZINC001593857649 996646038 /nfs/dbraw/zinc/64/60/38/996646038.db2.gz XZZZMRWGPHGIQB-HNNXBMFYSA-N -1 0 327.424 3.560 20 0 EHADRM CC1(C)C[C@]1(C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21)c1ccccc1 ZINC001593863809 996664601 /nfs/dbraw/zinc/66/46/01/996664601.db2.gz NQKFFYCPOVFAHD-IVZQSRNASA-N -1 0 349.430 3.959 20 0 EHADRM CC1(C)C[C@H](OC(=O)c2cccc(CC(=O)[O-])c2)c2ccccc2O1 ZINC001593864054 996664932 /nfs/dbraw/zinc/66/49/32/996664932.db2.gz PBHVSMLOWLSYME-KRWDZBQOSA-N -1 0 340.375 3.773 20 0 EHADRM CC1(C)C[C@@]1(CNC(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001593866194 996673107 /nfs/dbraw/zinc/67/31/07/996673107.db2.gz ZGSZYHQYGZLTEZ-HXUWFJFHSA-N -1 0 338.407 3.874 20 0 EHADRM CC1(C)CC[C@H](C(=O)N[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)C1 ZINC001593870557 996680752 /nfs/dbraw/zinc/68/07/52/996680752.db2.gz GIAUGAQUNHJPOH-WCQYABFASA-N -1 0 343.345 3.774 20 0 EHADRM CC1(C)CCC(=CC(=O)N2C[C@H](C(=O)[O-])Cc3ccccc32)CC1 ZINC001593871148 996683576 /nfs/dbraw/zinc/68/35/76/996683576.db2.gz QBJUDYCXRNZYQA-MRXNPFEDSA-N -1 0 327.424 3.803 20 0 EHADRM CC1(C)CCC(CC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)CC1 ZINC001593875712 996694754 /nfs/dbraw/zinc/69/47/54/996694754.db2.gz DPWDSKXOZLVFSS-UHFFFAOYSA-N -1 0 329.400 3.806 20 0 EHADRM CC1(C)CC[C@@H](CNC(=O)c2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC001593877831 996701761 /nfs/dbraw/zinc/70/17/61/996701761.db2.gz HGKHBNNKNRNLHE-INIZCTEOSA-N -1 0 337.419 3.970 20 0 EHADRM CC1(C)CCC[C@@H](CNC(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC001593887630 996726548 /nfs/dbraw/zinc/72/65/48/996726548.db2.gz CNHPTQFCWJMHLX-CQSZACIVSA-N -1 0 348.443 3.878 20 0 EHADRM CC1(C)CCC[C@](NC(=O)c2cccc(C(F)F)c2F)(C(=O)[O-])C1 ZINC001593892020 996739558 /nfs/dbraw/zinc/73/95/58/996739558.db2.gz IPBVMUXOCZUABY-QGZVFWFLSA-N -1 0 343.345 3.917 20 0 EHADRM CC1(C)CCC[C@H]1[C@@H]1CCN(C(=O)c2ccsc2CC(=O)[O-])C1 ZINC001593896743 996754980 /nfs/dbraw/zinc/75/49/80/996754980.db2.gz AUIZRUANHSLUFK-OCCSQVGLSA-N -1 0 335.469 3.664 20 0 EHADRM CC1(C)CCC[C@H]1N(Cc1ccccc1)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001593903076 996769980 /nfs/dbraw/zinc/76/99/80/996769980.db2.gz HUUSUUVWKKWRGB-BRWVUGGUSA-N -1 0 344.455 3.640 20 0 EHADRM CC1(C)CCc2ccccc2[C@H](NC(=O)N[C@H]2CC=C(C(=O)[O-])C2)C1 ZINC001593916455 996818555 /nfs/dbraw/zinc/81/85/55/996818555.db2.gz SGCXZSCNFQLGDA-DOTOQJQBSA-N -1 0 342.439 3.563 20 0 EHADRM COC[C@H](NCc1ccc(-c2ccc(C(=O)[O-])cc2)o1)c1ccco1 ZINC001599177136 996869113 /nfs/dbraw/zinc/86/91/13/996869113.db2.gz LAUBXXXBDYDWKK-INIZCTEOSA-N -1 0 341.363 3.715 20 0 EHADRM CC1(C)CN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)c2ccc(Cl)cc21 ZINC001593928906 996881426 /nfs/dbraw/zinc/88/14/26/996881426.db2.gz XIKSOGHDJZPCSJ-YVMONPNESA-N -1 0 345.782 3.969 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)CCc2ccc(C)c(Cl)c2)c1 ZINC001599491093 996941048 /nfs/dbraw/zinc/94/10/48/996941048.db2.gz CMZQQWTZOTXJMH-UHFFFAOYSA-N -1 0 348.782 3.893 20 0 EHADRM COCc1cc(NC(=O)N(CCC2CC2)CC2CC2)cc(C(=O)[O-])c1 ZINC001599285016 996960805 /nfs/dbraw/zinc/96/08/05/996960805.db2.gz LOHCDUWHDCFOGD-UHFFFAOYSA-N -1 0 346.427 3.575 20 0 EHADRM CC1(C)CN(Cc2cc(C(=O)[O-])c3n2CCCC3)[C@@H]1c1ccncc1 ZINC001593942378 996965141 /nfs/dbraw/zinc/96/51/41/996965141.db2.gz HTSFSNRBSIWJDF-GOSISDBHSA-N -1 0 339.439 3.501 20 0 EHADRM COCc1cc(NC(=O)NC2(C3CCCCC3)CC2)cc(C(=O)[O-])c1 ZINC001599285421 996967899 /nfs/dbraw/zinc/96/78/99/996967899.db2.gz GTEAFAZETKDGQB-UHFFFAOYSA-N -1 0 346.427 3.766 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC[C@@H](OC)c2ccc(Cl)cc2)c1 ZINC001599492814 996969916 /nfs/dbraw/zinc/96/99/16/996969916.db2.gz XQKVDDLCJAVJLI-MRXNPFEDSA-N -1 0 336.771 3.813 20 0 EHADRM COCc1cc(NC(=O)N(C)c2cccc(C)c2)cc(C(=O)[O-])c1 ZINC001599286064 996979831 /nfs/dbraw/zinc/97/98/31/996979831.db2.gz UKLCBEYPYNNCIA-UHFFFAOYSA-N -1 0 328.368 3.508 20 0 EHADRM COc1ccc(C(=O)[O-])c2c1CN(C(=O)CCC1CCCCC1)CC2 ZINC001599494483 996998327 /nfs/dbraw/zinc/99/83/27/996998327.db2.gz NSFXGKADZFEODT-UHFFFAOYSA-N -1 0 345.439 3.639 20 0 EHADRM COCc1cc(NCc2ncc(-c3cccs3)o2)cc(C(=O)[O-])c1 ZINC001599289579 997040518 /nfs/dbraw/zinc/04/05/18/997040518.db2.gz QXFZOQHHVLTTJX-UHFFFAOYSA-N -1 0 344.392 3.860 20 0 EHADRM COc1cc(C)cc(C(=O)N(CCC(=O)[O-])c2cccc(F)c2)c1C ZINC001599391559 997047449 /nfs/dbraw/zinc/04/74/49/997047449.db2.gz CTXMIZVOCOGDCJ-UHFFFAOYSA-N -1 0 345.370 3.573 20 0 EHADRM COCc1ccc(C(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)cc1F ZINC001599292592 997088055 /nfs/dbraw/zinc/08/80/55/997088055.db2.gz FLPKVFPRXFWXCF-UHFFFAOYSA-N -1 0 346.354 3.554 20 0 EHADRM COc1cc(C)ccc1C(=O)Nc1ccc(OC(C)C)cc1C(=O)[O-] ZINC001599394762 997105201 /nfs/dbraw/zinc/10/52/01/997105201.db2.gz VTJQJUDIAHVTFV-UHFFFAOYSA-N -1 0 343.379 3.741 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001599396422 997134154 /nfs/dbraw/zinc/13/41/54/997134154.db2.gz NOPJUZGJMLTWNY-URVPNVIXSA-N -1 0 330.380 3.525 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC[C@@H]1CCCC2(CCC2)O1 ZINC001599398536 997173432 /nfs/dbraw/zinc/17/34/32/997173432.db2.gz GQZCWRBFADEBKO-LYASGUKUSA-N -1 0 332.396 3.664 20 0 EHADRM COc1ccc(C(C)(C)C(=O)Nc2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001599504282 997184135 /nfs/dbraw/zinc/18/41/35/997184135.db2.gz BJUYXYBQNNHWTL-UHFFFAOYSA-N -1 0 327.380 3.618 20 0 EHADRM COc1ccc(C(=O)OCc2cc(C(=O)[O-])ccc2C)cc1C1CC1 ZINC001599504685 997191064 /nfs/dbraw/zinc/19/10/64/997191064.db2.gz GKORNQHXZFQNPY-UHFFFAOYSA-N -1 0 340.375 3.936 20 0 EHADRM COc1ccc(C(=O)OCc2cc(C(=O)[O-])ccc2C)c(Cl)c1 ZINC001599504933 997195492 /nfs/dbraw/zinc/19/54/92/997195492.db2.gz VHPWUNANMPTEQV-UHFFFAOYSA-N -1 0 334.755 3.712 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Oc2ccc(CC(=O)[O-])cc2F)cc1 ZINC001599506577 997221130 /nfs/dbraw/zinc/22/11/30/997221130.db2.gz ISHHWNQERHVYOV-LBPRGKRZSA-N -1 0 346.354 3.561 20 0 EHADRM COc1cc(CC(=O)Nc2c(C)sc(C)c2C(=O)[O-])ccc1C ZINC001599401658 997224625 /nfs/dbraw/zinc/22/46/25/997224625.db2.gz FVOOWIZINIFQDY-UHFFFAOYSA-N -1 0 333.409 3.561 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC001599509832 997277053 /nfs/dbraw/zinc/27/70/53/997277053.db2.gz PYTJUXGDCOKGJD-CYBMUJFWSA-N -1 0 342.395 3.893 20 0 EHADRM C[C@@]1(C2CCCCC2)CCN1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001593993457 997282789 /nfs/dbraw/zinc/28/27/89/997282789.db2.gz WAVZMYSURFCYJN-FQEVSTJZSA-N -1 0 344.455 3.682 20 0 EHADRM C[C@@]1(CC(=O)N[C@H](CCC(=O)[O-])c2ccccc2)CC1(Cl)Cl ZINC001593998358 997326712 /nfs/dbraw/zinc/32/67/12/997326712.db2.gz XMROJHVXQJDKHQ-IUODEOHRSA-N -1 0 344.238 3.683 20 0 EHADRM COCc1sccc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001599307439 997351143 /nfs/dbraw/zinc/35/11/43/997351143.db2.gz RYNKTAMSYAYWFO-UHFFFAOYSA-N -1 0 343.763 3.638 20 0 EHADRM CO[C@@H]1CCC[C@@H](C(=O)O[C@@H]2CCCc3cc(C(=O)[O-])ccc32)C1 ZINC001599104202 997444658 /nfs/dbraw/zinc/44/46/58/997444658.db2.gz TUXXWUZGXUWJKA-BFYDXBDKSA-N -1 0 332.396 3.511 20 0 EHADRM COc1ccc([C@@H](NC(=O)c2cccc(C3CCC3)c2)C(=O)[O-])cc1 ZINC001599523547 997522252 /nfs/dbraw/zinc/52/22/52/997522252.db2.gz GDTGYEXETKQMSB-GOSISDBHSA-N -1 0 339.391 3.518 20 0 EHADRM C[C@@]1(CNC(=O)Nc2cccc3cc(C(=O)[O-])sc32)CC1(F)F ZINC001594021984 997544772 /nfs/dbraw/zinc/54/47/72/997544772.db2.gz PKAXCILICNNKCW-AWEZNQCLSA-N -1 0 340.351 3.766 20 0 EHADRM COc1cc(Cl)c(NCc2ccccc2OCC(=O)[O-])cc1C ZINC001599419728 997573250 /nfs/dbraw/zinc/57/32/50/997573250.db2.gz HZRCXCWYSPKCQJ-UHFFFAOYSA-N -1 0 335.787 3.733 20 0 EHADRM COc1cc(Cl)c(N[C@@H](C)c2ncc(C(=O)[O-])s2)cc1C ZINC001599419845 997574392 /nfs/dbraw/zinc/57/43/92/997574392.db2.gz ONXXKPUIPRPSTB-QMMMGPOBSA-N -1 0 326.805 3.985 20 0 EHADRM COCC[C@@H](Nc1nc(Cl)c(C(=O)[O-])s1)c1ccc(C)o1 ZINC001599216600 997592672 /nfs/dbraw/zinc/59/26/72/997592672.db2.gz CBXWUNLKLASCKC-MRVPVSSYSA-N -1 0 330.793 3.586 20 0 EHADRM O=C(c1cccc(F)c1[O-])N1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC001625838434 1016137440 /nfs/dbraw/zinc/13/74/40/1016137440.db2.gz BQDWQEHAYQIAKY-UHFFFAOYSA-N -1 0 349.352 3.904 20 0 EHADRM CO[C@H]1CCC[C@@H](CC(=O)N2CCCc3c(C(=O)[O-])ccc(C)c32)C1 ZINC001599113706 997614961 /nfs/dbraw/zinc/61/49/61/997614961.db2.gz RROAUXHMKZUJSW-CABCVRRESA-N -1 0 345.439 3.568 20 0 EHADRM CO[C@@H]1CCC[C@H](CC(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC001599114159 997623250 /nfs/dbraw/zinc/62/32/50/997623250.db2.gz XILYLQRGJGFBEL-SGIREYDYSA-N -1 0 340.803 3.604 20 0 EHADRM COCC[C@@H]1CCN(Cc2csc(C(=O)[O-])c2)c2ccccc21 ZINC001599220150 997652602 /nfs/dbraw/zinc/65/26/02/997652602.db2.gz ARQGFUSQGLODGR-AWEZNQCLSA-N -1 0 331.437 3.977 20 0 EHADRM COc1ccc([C@@H](NCc2cc(C(=O)[O-])oc2C)C(F)(F)F)cc1 ZINC001599533282 997697803 /nfs/dbraw/zinc/69/78/03/997697803.db2.gz YTHJMPOBDQQVEH-CQSZACIVSA-N -1 0 343.301 3.688 20 0 EHADRM COc1ccc([C@@H](OC(=O)CC(C)(C)CC(=O)[O-])C2CC2)c(C)c1 ZINC001599533769 997706691 /nfs/dbraw/zinc/70/66/91/997706691.db2.gz IOSUWAJTJBLRNE-SFHVURJKSA-N -1 0 334.412 3.889 20 0 EHADRM COCCCCN(Cc1ccccc1)c1ncc(C(=O)[O-])cc1Cl ZINC001599224209 997727695 /nfs/dbraw/zinc/72/76/95/997727695.db2.gz RJFUCOWIMJWWPP-UHFFFAOYSA-N -1 0 348.830 3.866 20 0 EHADRM COc1c(C)cc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1C ZINC001599331331 997754949 /nfs/dbraw/zinc/75/49/49/997754949.db2.gz LUKMRFGGFTZAQX-UHFFFAOYSA-N -1 0 333.771 3.916 20 0 EHADRM COCCCOc1ccccc1NCc1ccc(C(=O)[O-])c(C)c1 ZINC001599227613 997788677 /nfs/dbraw/zinc/78/86/77/997788677.db2.gz XCRBTUWROLYQHO-UHFFFAOYSA-N -1 0 329.396 3.721 20 0 EHADRM COCCCOC1(CSCc2ccccc2C(=O)[O-])CCCC1 ZINC001599227780 997790933 /nfs/dbraw/zinc/79/09/33/997790933.db2.gz ZIWYIVOXDQAKSE-UHFFFAOYSA-N -1 0 338.469 3.984 20 0 EHADRM COc1cc(NC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c(C)cc1C ZINC001599432940 997792078 /nfs/dbraw/zinc/79/20/78/997792078.db2.gz BPGYOBGVEBJPJD-QRWLVFNGSA-N -1 0 339.391 3.509 20 0 EHADRM COc1cc(NC(=O)[C@H](C)Cc2ccccc2Cl)ccc1C(=O)[O-] ZINC001599433135 997795766 /nfs/dbraw/zinc/79/57/66/997795766.db2.gz GNMDDWSOVPNIIC-LLVKDONJSA-N -1 0 347.798 3.864 20 0 EHADRM COc1cc(NC(=O)[C@H](C)SCc2ccccc2)ccc1C(=O)[O-] ZINC001599433796 997805677 /nfs/dbraw/zinc/80/56/77/997805677.db2.gz YYQZQYPUSHATRJ-LBPRGKRZSA-N -1 0 345.420 3.654 20 0 EHADRM COc1cc(NC(=O)N2C[C@@H](C(C)C)[C@@H]2C(C)C)ccc1C(=O)[O-] ZINC001599433862 997806964 /nfs/dbraw/zinc/80/69/64/997806964.db2.gz MQNOMRWZOVDENW-HOCLYGCPSA-N -1 0 334.416 3.538 20 0 EHADRM COc1c(Cl)cccc1NCc1cc(C(=O)[O-])c2n1CCCC2 ZINC001599334836 997815842 /nfs/dbraw/zinc/81/58/42/997815842.db2.gz JUNRGBAJUYMTSM-UHFFFAOYSA-N -1 0 334.803 3.797 20 0 EHADRM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1cccc(Br)c1[O-] ZINC000536692395 1032141388 /nfs/dbraw/zinc/14/13/88/1032141388.db2.gz FGSLBKUTCXHLHQ-GWCFXTLKSA-N -1 0 326.234 3.805 20 0 EHADRM COc1ccc(/C=C(/C)C(=O)Nc2cccc(F)c2C(=O)[O-])cc1F ZINC001599540918 997840190 /nfs/dbraw/zinc/84/01/90/997840190.db2.gz JEJYBCUZANSKPS-NTMALXAHSA-N -1 0 347.317 3.714 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1cc2occc2s1 ZINC001599541211 997847010 /nfs/dbraw/zinc/84/70/10/997847010.db2.gz AKLGEMXVRWZRPO-HWKANZROSA-N -1 0 344.344 3.820 20 0 EHADRM COc1c(NC(=O)CCCc2c(F)cccc2F)cccc1C(=O)[O-] ZINC001599336980 997854186 /nfs/dbraw/zinc/85/41/86/997854186.db2.gz BSLHGJIDQJOKHS-UHFFFAOYSA-N -1 0 349.333 3.633 20 0 EHADRM COc1c(NC(=O)/C=C/c2ccc(Cl)s2)cccc1C(=O)[O-] ZINC001599336978 997854778 /nfs/dbraw/zinc/85/47/78/997854778.db2.gz BSEJJIUGUFYFGC-SOFGYWHQSA-N -1 0 337.784 3.760 20 0 EHADRM COc1ccc(/C=C\C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)cc1 ZINC001599543595 997886260 /nfs/dbraw/zinc/88/62/60/997886260.db2.gz OPEQWJXCUJZVAG-YHYXMXQVSA-N -1 0 343.404 3.767 20 0 EHADRM COc1ccc(/C=C\C(=O)Nc2nc(C(C)C)c(C(=O)[O-])s2)cc1 ZINC001599544065 997893219 /nfs/dbraw/zinc/89/32/19/997893219.db2.gz QOIMMRAZUGKMPV-TWGQIWQCSA-N -1 0 346.408 3.625 20 0 EHADRM CC1(c2ccc(Cl)cc2)CCN(C(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC001594071677 997911241 /nfs/dbraw/zinc/91/12/41/997911241.db2.gz NHGIMWXMTKEWIN-UHFFFAOYSA-N -1 0 347.798 3.825 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1Oc1nc2ccc(F)cc2o1 ZINC001599546037 997925019 /nfs/dbraw/zinc/92/50/19/997925019.db2.gz KNTDFEFKBGDRCA-XVNBXDOJSA-N -1 0 329.283 3.866 20 0 EHADRM COc1c(NC(=O)N[C@H](C)c2ccc(C)s2)cccc1C(=O)[O-] ZINC001599341302 997926859 /nfs/dbraw/zinc/92/68/59/997926859.db2.gz RWAAMFUOGNZBKZ-SNVBAGLBSA-N -1 0 334.397 3.646 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1Oc1ccc(C(F)(F)F)cn1 ZINC001599547874 997955358 /nfs/dbraw/zinc/95/53/58/997955358.db2.gz ZTXZRDVWUBYTAN-XVNBXDOJSA-N -1 0 339.269 3.999 20 0 EHADRM COc1cc(NCc2coc(-c3ccc(C(=O)[O-])cc3)n2)ccc1F ZINC001599443533 997969015 /nfs/dbraw/zinc/96/90/15/997969015.db2.gz HCQCMWWPSOOCFN-UHFFFAOYSA-N -1 0 342.326 3.800 20 0 EHADRM COc1cc(NCc2ccc(OCC3CC3)cc2)ccc1C(=O)[O-] ZINC001599443791 997974244 /nfs/dbraw/zinc/97/42/44/997974244.db2.gz MOTKDKBYAYFFHL-UHFFFAOYSA-N -1 0 327.380 3.794 20 0 EHADRM COc1cc(-c2ccc(N3CCC(C(=O)[O-])CC3)nc2)ccc1Cl ZINC001599344888 997985968 /nfs/dbraw/zinc/98/59/68/997985968.db2.gz BDQMHKFIEAIIIZ-UHFFFAOYSA-N -1 0 346.814 3.712 20 0 EHADRM COc1c(NCC2(c3cccs3)CCCCC2)ncnc1C(=O)[O-] ZINC001599345466 997996740 /nfs/dbraw/zinc/99/67/40/997996740.db2.gz URIGRSIIEQCSHQ-UHFFFAOYSA-N -1 0 347.440 3.559 20 0 EHADRM COc1cc(OC(=O)C2(C)CCC(F)(F)CC2)ccc1C(=O)[O-] ZINC001599445534 998002930 /nfs/dbraw/zinc/00/29/30/998002930.db2.gz FXCOIOISDWJZFL-UHFFFAOYSA-N -1 0 328.311 3.514 20 0 EHADRM CC12CC3(C)CC(C)(C1)CC(C(=O)N1CCC(C(=O)[O-])CC1)(C2)C3 ZINC001594086439 998010231 /nfs/dbraw/zinc/01/02/31/998010231.db2.gz ZWEXAZADHJYFMU-UHFFFAOYSA-N -1 0 333.472 3.696 20 0 EHADRM COC(=O)c1cc(NCc2ccc(F)c(Cl)c2)ccc1C(=O)[O-] ZINC001598948366 998099242 /nfs/dbraw/zinc/09/92/42/998099242.db2.gz PGBFHYWVKVPWOP-UHFFFAOYSA-N -1 0 337.734 3.576 20 0 EHADRM CC1=C(C(=O)[O-])C[C@@H](CN2CCc3c2cccc3-c2ccccc2)O1 ZINC001594105004 998156362 /nfs/dbraw/zinc/15/63/62/998156362.db2.gz RXVIYTFGVKHTRL-INIZCTEOSA-N -1 0 335.403 3.864 20 0 EHADRM CC1=C(C)CN(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)CC1 ZINC001594110424 998209922 /nfs/dbraw/zinc/20/99/22/998209922.db2.gz VJRZFUUAMKDYLS-UHFFFAOYSA-N -1 0 340.326 3.560 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)c2ccc(C(C)(C)C)s2)c1O ZINC001599362339 998280882 /nfs/dbraw/zinc/28/08/82/998280882.db2.gz IDQIFBOTXIEKKP-UHFFFAOYSA-N -1 0 349.408 3.710 20 0 EHADRM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)C[C@H]2CCCCC2(C)C)c1 ZINC001598961455 998339063 /nfs/dbraw/zinc/33/90/63/998339063.db2.gz MUTHULHOAGHVCS-CYBMUJFWSA-N -1 0 347.411 3.716 20 0 EHADRM COC[C@@H](C)[C@@H](C)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC001599157732 998402765 /nfs/dbraw/zinc/40/27/65/998402765.db2.gz JOMMYKSEJLITHA-NXEZZACHSA-N -1 0 327.446 3.601 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@H]1C1CCCC1 ZINC001599370914 998407565 /nfs/dbraw/zinc/40/75/65/998407565.db2.gz JGJKGZKSWKAYRA-HNNXBMFYSA-N -1 0 332.400 3.580 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N[C@H]1CCc2ccc(C)cc21 ZINC001599372335 998430635 /nfs/dbraw/zinc/43/06/35/998430635.db2.gz FVTCTSNMFVBPRI-HNNXBMFYSA-N -1 0 340.379 3.511 20 0 EHADRM COC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1Cl ZINC001599159420 998431169 /nfs/dbraw/zinc/43/11/69/998431169.db2.gz UMXYAPANLRLOPZ-HTQZYQBOSA-N -1 0 334.199 3.549 20 0 EHADRM COc1ccc(COc2cnc(Cl)cc2C(=O)[O-])cc1Cl ZINC001599576058 998445146 /nfs/dbraw/zinc/44/51/46/998445146.db2.gz VETOQYRHUQXREV-UHFFFAOYSA-N -1 0 328.151 3.674 20 0 EHADRM COc1ccc(-c2nc(SCc3csc(C(=O)[O-])c3)n[nH]2)cc1 ZINC001599471432 998457400 /nfs/dbraw/zinc/45/74/00/998457400.db2.gz JEQJILVNRSBQAN-UHFFFAOYSA-N -1 0 347.421 3.532 20 0 EHADRM COc1ccc(Cl)c(CN2CCc3c(F)ccc(C(=O)[O-])c3C2)c1 ZINC001599576993 998460694 /nfs/dbraw/zinc/46/06/94/998460694.db2.gz QQPRAFXXXIDSAL-UHFFFAOYSA-N -1 0 349.789 3.744 20 0 EHADRM COc1ccc(Cl)c(NC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)c1 ZINC001599577164 998463466 /nfs/dbraw/zinc/46/34/66/998463466.db2.gz VJHJALDLGQCLBW-UGSOOPFHSA-N -1 0 345.782 3.546 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)Nc1ccc2c(c1)C(C)(C)CC2(C)C ZINC001594155514 998560716 /nfs/dbraw/zinc/56/07/16/998560716.db2.gz BITHQZTUDGJGBB-OCCSQVGLSA-N -1 0 344.455 3.972 20 0 EHADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)Nc1ccc(SC(C)(C)C)cc1 ZINC001594157600 998578316 /nfs/dbraw/zinc/57/83/16/998578316.db2.gz VDEGKISLPOQUOE-FZMZJTMJSA-N -1 0 336.457 3.904 20 0 EHADRM COCOc1ccc(CCC(=O)[O-])cc1NC(=O)CC1(C)CCCC1 ZINC001599274416 998590719 /nfs/dbraw/zinc/59/07/19/998590719.db2.gz CSNICXBKMGCCIT-UHFFFAOYSA-N -1 0 349.427 3.595 20 0 EHADRM C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001594197192 998763303 /nfs/dbraw/zinc/76/33/03/998763303.db2.gz PFPQYVYYBWWQIG-SKDRFNHKSA-N -1 0 331.393 3.543 20 0 EHADRM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001594197416 998764184 /nfs/dbraw/zinc/76/41/84/998764184.db2.gz SDBCGGOCVMNTGS-DOMZBBRYSA-N -1 0 344.436 3.534 20 0 EHADRM CC1CC(C(=O)NCC(C)(C)CC(=O)[O-])(c2cccc(Cl)c2)C1 ZINC001594201352 998778493 /nfs/dbraw/zinc/77/84/93/998778493.db2.gz ITKYZMXENMYOQI-UHFFFAOYSA-N -1 0 337.847 3.625 20 0 EHADRM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001594217693 998839408 /nfs/dbraw/zinc/83/94/08/998839408.db2.gz XCBXTLLATNJQKK-BBRMVZONSA-N -1 0 348.443 3.876 20 0 EHADRM C[C@@H]1C[C@H](CC(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)CC(C)(C)C1 ZINC001594232843 998888347 /nfs/dbraw/zinc/88/83/47/998888347.db2.gz SMTWHABHWYPCSF-CPUCHLNUSA-N -1 0 345.439 3.718 20 0 EHADRM COC(=O)c1csc(S[C@@H](C(=O)[O-])c2ccccc2Cl)n1 ZINC001599014050 998923764 /nfs/dbraw/zinc/92/37/64/998923764.db2.gz SIRKZNMYUOPADN-SNVBAGLBSA-N -1 0 343.813 3.501 20 0 EHADRM COC(=O)c1csc(SCc2cccc(C(=O)[O-])c2Cl)n1 ZINC001599015448 998934416 /nfs/dbraw/zinc/93/44/16/998934416.db2.gz SAOBSXSNKLTTEQ-UHFFFAOYSA-N -1 0 343.813 3.574 20 0 EHADRM COC(=O)c1occc1CSc1cc(Cl)ccc1C(=O)[O-] ZINC001599020097 998971584 /nfs/dbraw/zinc/97/15/84/998971584.db2.gz YUQZSYAITAVBPX-UHFFFAOYSA-N -1 0 326.757 3.710 20 0 EHADRM CO[C@@H](C(=O)N1CCCc2ccc(C)c(C(=O)[O-])c21)C1CCCCC1 ZINC001599023374 998997892 /nfs/dbraw/zinc/99/78/92/998997892.db2.gz GPAMOVJHTVAKLH-GOSISDBHSA-N -1 0 345.439 3.568 20 0 EHADRM CO[C@H](C(=O)Nc1cc(-c2ccccc2)sc1C(=O)[O-])C1CCC1 ZINC001599027824 999028808 /nfs/dbraw/zinc/02/88/08/999028808.db2.gz WOWHBJNNZMCWIN-HNNXBMFYSA-N -1 0 345.420 3.867 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)/C=C/c2ccc(C(=O)[O-])o2)C1 ZINC001594268807 999039360 /nfs/dbraw/zinc/03/93/60/999039360.db2.gz CFTCFOGBBKRBSL-GPJUQDOMSA-N -1 0 325.364 3.601 20 0 EHADRM C[C@H]1C[C@H]1c1cc(NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)n[nH]1 ZINC001594277950 999075671 /nfs/dbraw/zinc/07/56/71/999075671.db2.gz SUWJEODQSHKKAN-OIBJUYFYSA-N -1 0 334.763 3.529 20 0 EHADRM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001594284223 999102030 /nfs/dbraw/zinc/10/20/30/999102030.db2.gz KSUWEAGSSMYLSP-LMHBHQSJSA-N -1 0 329.440 3.637 20 0 EHADRM CO[C@H](C)c1nc(CN[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])cs1 ZINC001599043492 999134447 /nfs/dbraw/zinc/13/44/47/999134447.db2.gz VQJJVKBJLMRIPU-DOMZBBRYSA-N -1 0 348.468 3.792 20 0 EHADRM C[C@@H]1CC[C@@](C)(/C=C\C(=O)NCc2ccccc2CC(=O)[O-])C1(C)C ZINC001594296223 999140944 /nfs/dbraw/zinc/14/09/44/999140944.db2.gz ORDQOMMJNHTXIO-BFZRDFSISA-N -1 0 343.467 3.949 20 0 EHADRM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001594299298 999155412 /nfs/dbraw/zinc/15/54/12/999155412.db2.gz XAHHLFMJKIEYPN-WCBMZHEXSA-N -1 0 349.736 3.841 20 0 EHADRM C[C@@H]1CC[C@@H](CC(=O)N[C@@H](C(=O)[O-])c2cccc3ccccc32)C1 ZINC001594302866 999171570 /nfs/dbraw/zinc/17/15/70/999171570.db2.gz RYYHQIQXLUPBSL-PJIJBLCYSA-N -1 0 325.408 3.908 20 0 EHADRM C[C@@H]1CC[C@](NC(=O)[C@@H]2CCC[C@@H](F)C2)(C(=O)[O-])c2ccccc21 ZINC001594314781 999218242 /nfs/dbraw/zinc/21/82/42/999218242.db2.gz SKEBEYHJQQHQFB-QGDIXAPHSA-N -1 0 333.403 3.508 20 0 EHADRM C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)Nc2cc(C(=O)[O-])n(C)c2)C1 ZINC001594329759 999267301 /nfs/dbraw/zinc/26/73/01/999267301.db2.gz DKDKSBWPNOOUPB-CZUORRHYSA-N -1 0 341.411 3.728 20 0 EHADRM CO[C@@H](c1ccccc1F)[C@@H](C)Nc1nc(Cl)c(C(=O)[O-])s1 ZINC001599063049 999279594 /nfs/dbraw/zinc/27/95/94/999279594.db2.gz GRRRFXFFCYDWGC-GMSGAONNSA-N -1 0 344.795 3.822 20 0 EHADRM Cc1ccc(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)c(F)c1Cl ZINC001594347455 999316473 /nfs/dbraw/zinc/31/64/73/999316473.db2.gz OAJXOOQEJVVYHW-GOSISDBHSA-N -1 0 349.789 3.560 20 0 EHADRM C[C@H](NC(=O)N1CCc2cc(C(=O)[O-])ccc2C1)[C@@H]1CCC[C@H](C)C1 ZINC001594356350 999345814 /nfs/dbraw/zinc/34/58/14/999345814.db2.gz VFOBPEBKXPMQTH-SOUVJXGZSA-N -1 0 344.455 3.667 20 0 EHADRM C[C@@H]1CCCC[C@H]1CCNC(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001594363717 999373257 /nfs/dbraw/zinc/37/32/57/999373257.db2.gz KESZLIAMPLWWBQ-CABCVRRESA-N -1 0 344.455 3.669 20 0 EHADRM C[C@H]1CCCC[C@H]1NC(=S)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001594371215 999399883 /nfs/dbraw/zinc/39/98/83/999399883.db2.gz PDECAVMZEZRCMC-GZMMTYOYSA-N -1 0 328.384 3.528 20 0 EHADRM C[C@@H]1CCCC[C@H]1NC(=S)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001594371218 999400025 /nfs/dbraw/zinc/40/00/25/999400025.db2.gz PDECAVMZEZRCMC-LDYMZIIASA-N -1 0 328.384 3.528 20 0 EHADRM C[C@@H]1CCCC[C@H]1OCCNc1ncc(C(=O)[O-])cc1C(F)(F)F ZINC001594371475 999400849 /nfs/dbraw/zinc/40/08/49/999400849.db2.gz APJQRVBGOXTYGD-ZWNOBZJWSA-N -1 0 346.349 3.806 20 0 EHADRM CC(C)[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000655568260 1016321587 /nfs/dbraw/zinc/32/15/87/1016321587.db2.gz FVVOZAVMOXKZIS-MCIONIFRSA-N -1 0 344.238 3.570 20 0 EHADRM C[C@H](C(=O)N1CC[C@@H](C)C[C@@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001594396590 999494892 /nfs/dbraw/zinc/49/48/92/999494892.db2.gz YZNMJHVRQQBJFG-UHIISALHSA-N -1 0 343.345 3.521 20 0 EHADRM C[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001594396583 999494950 /nfs/dbraw/zinc/49/49/50/999494950.db2.gz YZNMJHVRQQBJFG-GYSYKLTISA-N -1 0 343.345 3.521 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])nc2)CC12CCCCC2 ZINC001594403923 999513225 /nfs/dbraw/zinc/51/32/25/999513225.db2.gz WKDZKWHPIIEMMI-CYBMUJFWSA-N -1 0 331.416 3.604 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc(CC(=O)[O-])cc2)[C@@H](c2ccco2)C1 ZINC001594405426 999517396 /nfs/dbraw/zinc/51/73/96/999517396.db2.gz LOYHHESFKJLDPF-CZUORRHYSA-N -1 0 342.395 3.912 20 0 EHADRM C[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c2ccccc2S1 ZINC001594406889 999524478 /nfs/dbraw/zinc/52/44/78/999524478.db2.gz IMDJMQHAEOQZIC-MGPQQGTHSA-N -1 0 333.453 3.795 20 0 EHADRM CC(C)Sc1ccc(Cl)cc1NC(=O)c1cc(=O)n(C)[n-]1 ZINC000668271204 1016331868 /nfs/dbraw/zinc/33/18/68/1016331868.db2.gz YRMYXCFJNIREFF-UHFFFAOYSA-N -1 0 325.821 3.532 20 0 EHADRM Cc1ccc2c(Cl)c(C(=O)NC[C@@H](C(=O)[O-])C(C)C)sc2c1 ZINC000655568765 1016338620 /nfs/dbraw/zinc/33/86/20/1016338620.db2.gz RNDQZVWJTJSYEE-LLVKDONJSA-N -1 0 339.844 3.950 20 0 EHADRM C[C@@H]1CCc2c(sc3ncnc(NCCC(C)(C)C(=O)[O-])c32)C1 ZINC001594446094 999639330 /nfs/dbraw/zinc/63/93/30/999639330.db2.gz XAMVBTRWTGGFAG-SNVBAGLBSA-N -1 0 333.457 3.729 20 0 EHADRM C[C@H]1CCc2ccccc2N1C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001594446209 999639524 /nfs/dbraw/zinc/63/95/24/999639524.db2.gz YKUVJLWRTPHPSS-ZDUSSCGKSA-N -1 0 348.402 3.777 20 0 EHADRM Cc1cc(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c(Cl)cc1F ZINC000655579184 1016432622 /nfs/dbraw/zinc/43/26/22/1016432622.db2.gz KIRFCLVYJQVXOS-ZMLRMANQSA-N -1 0 341.810 3.653 20 0 EHADRM Cc1cc(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c(Cl)cc1F ZINC000655579183 1016432661 /nfs/dbraw/zinc/43/26/61/1016432661.db2.gz KIRFCLVYJQVXOS-ADEWGFFLSA-N -1 0 341.810 3.653 20 0 EHADRM O=C(c1cncc(O)c1)N(Cc1cccs1)Cc1cccs1 ZINC000109042312 1016647573 /nfs/dbraw/zinc/64/75/73/1016647573.db2.gz KBFLQWJUYPOJEZ-UHFFFAOYSA-N -1 0 330.434 3.753 20 0 EHADRM CC(C)C[C@H](CNC(=O)N[C@@H](c1cccs1)C1CC1)CC(=O)[O-] ZINC000659392397 1016650571 /nfs/dbraw/zinc/65/05/71/1016650571.db2.gz KBRGZWWSUHYINV-BLLLJJGKSA-N -1 0 338.473 3.635 20 0 EHADRM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659420597 1016678260 /nfs/dbraw/zinc/67/82/60/1016678260.db2.gz RAUHBDZQLPNARN-OAHLLOKOSA-N -1 0 344.455 3.814 20 0 EHADRM Cc1ccc2c(n1)[n-]cc(C(=O)Nc1cccc(-c3cnco3)c1)c2=O ZINC000340231247 1016743868 /nfs/dbraw/zinc/74/38/68/1016743868.db2.gz NKVVLGZBRSMGLY-UHFFFAOYSA-N -1 0 346.346 3.551 20 0 EHADRM CC(C)(c1ccc(C(=O)NCC2(C(=O)[O-])CCC2)cc1)C(F)(F)F ZINC000668276608 1016773525 /nfs/dbraw/zinc/77/35/25/1016773525.db2.gz RPRPJDIDMDFFMK-UHFFFAOYSA-N -1 0 343.345 3.511 20 0 EHADRM Cc1cccc(NC(=O)N[C@H](Cc2cccc3ccccc32)C(=O)[O-])c1 ZINC000584522962 1016914089 /nfs/dbraw/zinc/91/40/89/1016914089.db2.gz NCOWWTQGUYREAQ-LJQANCHMSA-N -1 0 348.402 3.966 20 0 EHADRM C[C@H](NC(=O)c1ccc(O)cc1F)c1ccc(OC(F)F)cc1 ZINC000181107189 1016915383 /nfs/dbraw/zinc/91/53/83/1016915383.db2.gz BXTHLBASHZRQPL-VIFPVBQESA-N -1 0 325.286 3.624 20 0 EHADRM CC1(C)C(=O)Nc2ccc(C(=O)Nc3cccc(Cl)c3[O-])cc21 ZINC000340319171 1016938739 /nfs/dbraw/zinc/93/87/39/1016938739.db2.gz GTCCIBFGPYOFCN-UHFFFAOYSA-N -1 0 330.771 3.528 20 0 EHADRM C[C@@H](NC(=O)c1c(Cl)cccc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655585188 1016982191 /nfs/dbraw/zinc/98/21/91/1016982191.db2.gz UDFNUTLDRTWBIW-KXUCPTDWSA-N -1 0 344.238 3.859 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2ccc([C@@H](C)CC(=O)[O-])cc2)c(C)c1 ZINC000181770561 1016986333 /nfs/dbraw/zinc/98/63/33/1016986333.db2.gz HEVDFHPIFBXBKH-ZDUSSCGKSA-N -1 0 347.436 3.682 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000659781571 1017012472 /nfs/dbraw/zinc/01/24/72/1017012472.db2.gz IERYOEZQOBGMMG-UHFFFAOYSA-N -1 0 345.361 3.754 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])Cc1noc2c1CCCC2 ZINC000659793355 1017025215 /nfs/dbraw/zinc/02/52/15/1017025215.db2.gz QZVPFTRDXWOCNA-KRWDZBQOSA-N -1 0 328.412 3.591 20 0 EHADRM CC(C)(C)[C@@H]1CCN(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)C1 ZINC000414611672 1017025010 /nfs/dbraw/zinc/02/50/10/1017025010.db2.gz CINPRBDAJNEXON-IAGOWNOFSA-N -1 0 346.471 3.540 20 0 EHADRM C[C@H](NC(=O)NCCCCCC(=O)[O-])c1ccc(F)c2ccccc21 ZINC000414613648 1017029675 /nfs/dbraw/zinc/02/96/75/1017029675.db2.gz SCLOQSAIFWXNKI-ZDUSSCGKSA-N -1 0 346.402 3.984 20 0 EHADRM C[C@H](c1ccccc1F)N(C)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000183372851 1032166056 /nfs/dbraw/zinc/16/60/56/1032166056.db2.gz WXFNTHBXOCBVFF-MRVPVSSYSA-N -1 0 327.277 3.782 20 0 EHADRM O=C(Nc1ccc(-c2cnco2)cc1)c1cc(F)c(F)c([O-])c1F ZINC000183436517 1032170434 /nfs/dbraw/zinc/17/04/34/1032170434.db2.gz DJCNJXBOLTVTAM-UHFFFAOYSA-N -1 0 334.253 3.717 20 0 EHADRM CCCc1cc(C(=O)N=c2[n-]nc(CC(F)(F)F)s2)sc1C ZINC000484977373 1032179706 /nfs/dbraw/zinc/17/97/06/1032179706.db2.gz OYSJDYWYGQQVBR-UHFFFAOYSA-N -1 0 349.403 3.640 20 0 EHADRM Cc1ccc2cccc(NC(=O)c3cc(F)c(F)c([O-])c3F)c2n1 ZINC000183552438 1032180437 /nfs/dbraw/zinc/18/04/37/1032180437.db2.gz STQIXOXYZASNJV-UHFFFAOYSA-N -1 0 332.281 3.918 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)c3cc(C(=O)[O-])co3)cc2s1 ZINC000183774556 1032204136 /nfs/dbraw/zinc/20/41/36/1032204136.db2.gz ROJKEGYGDXQWSO-UHFFFAOYSA-N -1 0 330.365 3.963 20 0 EHADRM Cc1cc(Nc2ccc(C(=O)[O-])cc2C)n(C(=O)OC(C)(C)C)n1 ZINC001211615556 1032253619 /nfs/dbraw/zinc/25/36/19/1032253619.db2.gz VXVCCWJGEJGCHW-UHFFFAOYSA-N -1 0 331.372 3.725 20 0 EHADRM CC(C)(C)[C@H]1CN(C(=O)NCCCCCC(=O)[O-])c2ccccc21 ZINC000414623558 1017073999 /nfs/dbraw/zinc/07/39/99/1017073999.db2.gz HMLWOGXGBBLJMM-HNNXBMFYSA-N -1 0 332.444 3.991 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)/C=C\c2ccc(F)c(Cl)c2)CC1 ZINC000321083972 1032264178 /nfs/dbraw/zinc/26/41/78/1032264178.db2.gz CDTVSUQYYGBKKA-DJWKRKHSSA-N -1 0 339.794 3.596 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1ccnn1Cc1ccc(F)cc1 ZINC001211616208 1032271609 /nfs/dbraw/zinc/27/16/09/1032271609.db2.gz BGIBCSYGZZURFX-UHFFFAOYSA-N -1 0 325.343 3.821 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc(C)cc2Cl)cc1C ZINC000538296843 1032278967 /nfs/dbraw/zinc/27/89/67/1032278967.db2.gz PTBIYWSKYIUZBV-LLVKDONJSA-N -1 0 341.864 3.925 20 0 EHADRM CSc1ccc(NC(=O)CC[C@H]2CC(C)(C)CO2)cc1C(=O)[O-] ZINC000905043935 1032323562 /nfs/dbraw/zinc/32/35/62/1032323562.db2.gz LEQMUWFXTKXRFD-LBPRGKRZSA-N -1 0 337.441 3.641 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N[C@H](C2CCCCC2)C(F)(F)F)C1 ZINC000905124934 1032347664 /nfs/dbraw/zinc/34/76/64/1032347664.db2.gz XKKCUJRRIMIJRE-FRRDWIJNSA-N -1 0 335.366 3.505 20 0 EHADRM CC(C)(/C=C\Cl)NC(=O)C[C@](C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000905140388 1032360597 /nfs/dbraw/zinc/36/05/97/1032360597.db2.gz ZFUBEBRDSOINAJ-QWGSZXSUSA-N -1 0 344.238 3.720 20 0 EHADRM COc1cnc(Br)c(Nc2ccc(C(=O)[O-])cc2C)c1 ZINC001211618596 1032455949 /nfs/dbraw/zinc/45/59/49/1032455949.db2.gz HZRZARBYRMEFAE-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM COc1ccc(Br)nc1Nc1ccc(C(=O)[O-])cc1C ZINC001211618815 1032466610 /nfs/dbraw/zinc/46/66/10/1032466610.db2.gz SPHUNRHDXHAZNX-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2cc(Cl)ccc2C)cc1C ZINC000537197001 1032555239 /nfs/dbraw/zinc/55/52/39/1032555239.db2.gz FEQORVYLORQPBH-NSHDSACASA-N -1 0 341.864 3.925 20 0 EHADRM CCCCOc1ccc(NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-])c(C)c1 ZINC000601989505 1032583160 /nfs/dbraw/zinc/58/31/60/1032583160.db2.gz WGGNFRVJAAHZSO-CHWSQXEVSA-N -1 0 339.457 3.707 20 0 EHADRM CCc1oc2ccccc2c1CN(C)C(=O)[C@H](C)S[C@H](C)C(=O)[O-] ZINC000601991972 1032585492 /nfs/dbraw/zinc/58/54/92/1032585492.db2.gz HDZPYLUOQIJBJY-NWDGAFQWSA-N -1 0 349.452 3.548 20 0 EHADRM CC1(C)CCc2ccccc2[C@H](NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])C1 ZINC000669622597 1032604562 /nfs/dbraw/zinc/60/45/62/1032604562.db2.gz NZESKJOVNOJNOJ-FGTMMUONSA-N -1 0 341.451 3.873 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c3cccnc23)c(C)o1 ZINC000537347738 1032649101 /nfs/dbraw/zinc/64/91/01/1032649101.db2.gz OGDYZMFLHURHQI-UHFFFAOYSA-N -1 0 336.800 3.899 20 0 EHADRM CCCc1cnc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)s1 ZINC000537353318 1032654260 /nfs/dbraw/zinc/65/42/60/1032654260.db2.gz PPORELJCRUTXLN-UHFFFAOYSA-N -1 0 340.470 3.684 20 0 EHADRM C[C@@H](NC(=O)NC1CCC(C(=O)[O-])CC1)c1cc2cccc(F)c2o1 ZINC000414638455 1017089523 /nfs/dbraw/zinc/08/95/23/1017089523.db2.gz HAWVZWRIQBYBRI-XSRFYTQQSA-N -1 0 348.374 3.576 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000414629910 1017090844 /nfs/dbraw/zinc/09/08/44/1017090844.db2.gz UYGIDBQIXIJPHJ-CCGTUFIJSA-N -1 0 344.455 3.608 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@@H](C)c1cccc(OC(C)C)c1 ZINC000659120430 1017121902 /nfs/dbraw/zinc/12/19/02/1017121902.db2.gz UPTMNVQBBMOGSP-NSHDSACASA-N -1 0 331.368 3.564 20 0 EHADRM CN(Cc1cc(F)c(F)c(F)c1)C(=O)c1cc(Cl)ccc1O ZINC000182964152 1017224677 /nfs/dbraw/zinc/22/46/77/1017224677.db2.gz HIEPNORZUDMREX-UHFFFAOYSA-N -1 0 329.705 3.735 20 0 EHADRM CC(C)C[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)cc1F)C(=O)[O-] ZINC000236634605 1017264517 /nfs/dbraw/zinc/26/45/17/1017264517.db2.gz VMIDUCJAUAPJME-KRWDZBQOSA-N -1 0 347.361 3.861 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCC[C@@H]1CCc1ccccc1 ZINC000183449485 1017333041 /nfs/dbraw/zinc/33/30/41/1017333041.db2.gz HHSOWYDNHARHAN-OAHLLOKOSA-N -1 0 331.362 3.908 20 0 EHADRM O=C([O-])c1coc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1 ZINC000183750080 1017406270 /nfs/dbraw/zinc/40/62/70/1017406270.db2.gz UHUYKJFYGMMSSI-UHFFFAOYSA-N -1 0 337.331 3.809 20 0 EHADRM O=C([O-])C1CCC(CC(=O)Nc2ccccc2N2CCCC2)CC1 ZINC000574043612 1032701857 /nfs/dbraw/zinc/70/18/57/1032701857.db2.gz YGOJJYCVQGDYCG-UHFFFAOYSA-N -1 0 330.428 3.506 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Cc1c(F)cccc1Cl)C1CCCCC1 ZINC000537403268 1032703877 /nfs/dbraw/zinc/70/38/77/1032703877.db2.gz KRFASMWWALWRMK-HNNXBMFYSA-N -1 0 341.810 3.561 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCc1cc2ccccc2o1)C1CCCCC1 ZINC000537403441 1032705473 /nfs/dbraw/zinc/70/54/73/1032705473.db2.gz MTTNGLVISRNWTM-QGZVFWFLSA-N -1 0 343.423 3.905 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C1CCCCC1 ZINC000537403719 1032706086 /nfs/dbraw/zinc/70/60/86/1032706086.db2.gz WUYHYGXQMSCQIL-PBHICJAKSA-N -1 0 349.496 3.955 20 0 EHADRM O=C(N[C@H]1COc2c1cccc2Cl)c1cc(F)c([O-])c(Cl)c1 ZINC000683627974 1017796598 /nfs/dbraw/zinc/79/65/98/1017796598.db2.gz XBXMDUMLVSIZAF-LBPRGKRZSA-N -1 0 342.153 3.702 20 0 EHADRM COc1cc(-c2cc(CC(=O)[O-])ccc2C)cnc1C(F)(F)F ZINC000515499812 1032728086 /nfs/dbraw/zinc/72/80/86/1032728086.db2.gz HJPRBWRNCMWAEZ-UHFFFAOYSA-N -1 0 325.286 3.712 20 0 EHADRM COC(=O)c1cc(Nc2ccc(C(=O)[O-])c(C)c2)c(Cl)s1 ZINC001211649908 1017886632 /nfs/dbraw/zinc/88/66/32/1017886632.db2.gz FOOOAWCNDSICFH-UHFFFAOYSA-N -1 0 325.773 3.938 20 0 EHADRM CCc1c(C(=O)Nc2cc(C(=O)[O-])ccc2F)cnn1C(CC)CC ZINC000909322631 1017887899 /nfs/dbraw/zinc/88/78/99/1017887899.db2.gz ZWSCSARBMKJRDP-UHFFFAOYSA-N -1 0 347.390 3.896 20 0 EHADRM CCOC(=O)c1cnc(Nc2ccc(C(=O)[O-])c(C)c2)c(Cl)c1 ZINC001211649973 1017910002 /nfs/dbraw/zinc/91/00/02/1017910002.db2.gz JFKOWSQFKCIFLZ-UHFFFAOYSA-N -1 0 334.759 3.662 20 0 EHADRM Cc1ccccc1[C@@H](CC(C)C)NC(=O)C[C@]1(C(=O)[O-])CCSC1 ZINC000602270849 1032742181 /nfs/dbraw/zinc/74/21/81/1032742181.db2.gz HRKIVAAWGCBANZ-VQIMIIECSA-N -1 0 349.496 3.796 20 0 EHADRM O=C(c1cc(O)ccc1Cl)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000431848236 1018094773 /nfs/dbraw/zinc/09/47/73/1018094773.db2.gz NUIRGILNBYUHNW-CQSZACIVSA-N -1 0 330.815 3.762 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(-c2ccco2)cc1F ZINC000683729045 1018220982 /nfs/dbraw/zinc/22/09/82/1018220982.db2.gz UIIATUIJJAUCEF-CHWSQXEVSA-N -1 0 329.327 3.691 20 0 EHADRM CCCC[C@@H](NC(=O)Nc1cccc(-c2nccs2)c1)C(=O)[O-] ZINC000580031253 1018237892 /nfs/dbraw/zinc/23/78/92/1018237892.db2.gz PSWFLEWRJSSSAN-CYBMUJFWSA-N -1 0 333.413 3.575 20 0 EHADRM CC(=O)[C@@H](Sc1n[n-]c(=Nc2ccccc2F)s1)C(C)C ZINC000647114353 1018368704 /nfs/dbraw/zinc/36/87/04/1018368704.db2.gz NRZXWFDRJYEBLL-LBPRGKRZSA-N -1 0 325.434 3.548 20 0 EHADRM C[C@@H]1C[C@H](Sc2n[n-]c(=NCCc3ccccc3)s2)C[C@H](C)O1 ZINC000549340825 1018429429 /nfs/dbraw/zinc/42/94/29/1018429429.db2.gz KZBFQDMHZJOVKL-NHAGDIPZSA-N -1 0 349.525 3.663 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cc2cc(F)ccc2s1 ZINC000261687465 1018633402 /nfs/dbraw/zinc/63/34/02/1018633402.db2.gz IUINJZISDPWAJD-ZDUSSCGKSA-N -1 0 335.400 3.900 20 0 EHADRM CC(C)c1nc(/C=C/c2c(Cl)nc3ccccn32)ncc1C(=O)[O-] ZINC000172555068 1032779885 /nfs/dbraw/zinc/77/98/85/1032779885.db2.gz KBQOMRCGCPOYHQ-VOTSOKGWSA-N -1 0 342.786 3.770 20 0 EHADRM Cc1n[n-]c(=NCC2(c3cccc(Br)c3)CCC2)s1 ZINC000607144030 1018794559 /nfs/dbraw/zinc/79/45/59/1018794559.db2.gz YGQLDSCBFZEAET-UHFFFAOYSA-N -1 0 338.274 3.565 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000237048240 1018855243 /nfs/dbraw/zinc/85/52/43/1018855243.db2.gz HOZPFOCZFDOOFP-IRXDYDNUSA-N -1 0 343.810 3.800 20 0 EHADRM CC[C@H](Cc1ccc(NCc2nc3c(s2)CCC3)cc1)C(=O)[O-] ZINC000669478192 1032792282 /nfs/dbraw/zinc/79/22/82/1032792282.db2.gz SCVGOBBACOCXLZ-CYBMUJFWSA-N -1 0 330.453 3.897 20 0 EHADRM O=S(=O)(CCC1CC1)[N-]c1cc(-c2ccc(Cl)s2)on1 ZINC000580269408 1018899450 /nfs/dbraw/zinc/89/94/50/1018899450.db2.gz CSSYWRLOEMFMAP-UHFFFAOYSA-N -1 0 332.834 3.598 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cccc(OCc2cccs2)c1 ZINC000237065958 1018934364 /nfs/dbraw/zinc/93/43/64/1018934364.db2.gz XCGGOQCAESGWGM-CYBMUJFWSA-N -1 0 347.436 3.652 20 0 EHADRM Cn1ccc2cccc([N-]S(=O)(=O)c3ccc(F)cc3Cl)c21 ZINC000471569009 1019232117 /nfs/dbraw/zinc/23/21/17/1019232117.db2.gz DWRWRKVBIRLEPB-UHFFFAOYSA-N -1 0 338.791 3.772 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)Nc1ccc(F)cc1 ZINC000683921123 1019241996 /nfs/dbraw/zinc/24/19/96/1019241996.db2.gz GMYKUPZWXSRWCH-BBRMVZONSA-N -1 0 334.391 3.713 20 0 EHADRM COc1ccc(NC(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cc1 ZINC000683921153 1019242837 /nfs/dbraw/zinc/24/28/37/1019242837.db2.gz IGZSYMGYDDMXAC-WMLDXEAASA-N -1 0 346.427 3.583 20 0 EHADRM O=C([O-])C1(NCc2nc(-c3cc(Cl)ccc3Cl)cs2)CC1 ZINC000340682069 1019258852 /nfs/dbraw/zinc/25/88/52/1019258852.db2.gz RKXHQMRYRLHUPQ-UHFFFAOYSA-N -1 0 343.235 3.824 20 0 EHADRM CCCN(C(=O)N=c1[n-]nc(C2CC2)s1)[C@@H]1CCc2ccccc21 ZINC000549929574 1019287022 /nfs/dbraw/zinc/28/70/22/1019287022.db2.gz GVLWIXJFRMZGMA-OAHLLOKOSA-N -1 0 342.468 3.769 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc3ccn(C)c32)c(Cl)c1 ZINC000471572265 1019291860 /nfs/dbraw/zinc/29/18/60/1019291860.db2.gz FBNDBCBTMBGHMZ-UHFFFAOYSA-N -1 0 334.828 3.941 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N[C@]2(C)CCCC[C@H]2C)n1 ZINC001625864751 1019321300 /nfs/dbraw/zinc/32/13/00/1019321300.db2.gz ZNPCKBVWTSFYDQ-JLTOFOAXSA-N -1 0 341.455 3.839 20 0 EHADRM Cc1oc([C@H](C)N2CCO[C@@H](c3ccccc3C)C2)cc1C(=O)[O-] ZINC000515659986 1032822513 /nfs/dbraw/zinc/82/25/13/1032822513.db2.gz HRCJWLVRSSLJAJ-SCLBCKFNSA-N -1 0 329.396 3.729 20 0 EHADRM COc1ccc2c(c1)[C@@H](C(=O)Nc1cc(C(=O)[O-])ccc1C)CCC2 ZINC000656234711 1019491128 /nfs/dbraw/zinc/49/11/28/1019491128.db2.gz OHHDNDHITZIZHR-INIZCTEOSA-N -1 0 339.391 3.760 20 0 EHADRM Cc1oc(CN(C)C(=O)C[C@@H](C)Cc2cccc(F)c2)cc1C(=O)[O-] ZINC000262054508 1019524086 /nfs/dbraw/zinc/52/40/86/1019524086.db2.gz AUGDHRVIBRKDIM-LBPRGKRZSA-N -1 0 347.386 3.653 20 0 EHADRM CCCCN(C(=O)c1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000262104491 1019536019 /nfs/dbraw/zinc/53/60/19/1019536019.db2.gz JHSLTKLQCQJEBC-UHFFFAOYSA-N -1 0 327.380 3.597 20 0 EHADRM CN(C(=O)[C@@H]1CC[C@@H]1C(=O)[O-])c1ccc(Oc2ccccc2)cc1 ZINC000262160273 1019550424 /nfs/dbraw/zinc/55/04/24/1019550424.db2.gz PUEPROBPVGNMOP-SJORKVTESA-N -1 0 325.364 3.553 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)/C=C(/C)c1cccc(C(F)(F)F)c1 ZINC000237117734 1019618893 /nfs/dbraw/zinc/61/88/93/1019618893.db2.gz RYXYISINDBTECY-JXMNSVBMSA-N -1 0 343.345 3.868 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)/C=C(/C)c1ccccc1C(F)(F)F ZINC000237117852 1019621611 /nfs/dbraw/zinc/62/16/11/1019621611.db2.gz VFHNJEMNMXSKNM-HGPCXVNDSA-N -1 0 343.345 3.868 20 0 EHADRM C[C@@]1(C(=O)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC=CCC1 ZINC000408487514 1019638563 /nfs/dbraw/zinc/63/85/63/1019638563.db2.gz WDNNPNPDOBTCGJ-CQSZACIVSA-N -1 0 348.251 3.545 20 0 EHADRM O=C([O-])C1CCC(C(=O)N2CCCC[C@@H]2Cc2ccccc2)CC1 ZINC000262692115 1019705571 /nfs/dbraw/zinc/70/55/71/1019705571.db2.gz FDYITAOBUZQEJG-DAWZGUTISA-N -1 0 329.440 3.501 20 0 EHADRM O=C(Nc1c(=O)[nH][n-]c1-c1ccccc1)c1cc2c(s1)CCC2 ZINC000647826718 1019709704 /nfs/dbraw/zinc/70/97/04/1019709704.db2.gz UQNZXHPZYJOPOK-UHFFFAOYSA-N -1 0 325.393 3.585 20 0 EHADRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2c(C)noc2C)c1 ZINC000340731266 1019717819 /nfs/dbraw/zinc/71/78/19/1019717819.db2.gz BIWYRFKWJXDWQZ-UHFFFAOYSA-N -1 0 328.821 3.698 20 0 EHADRM CN(Cc1ccc2ccccc2c1)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000262752074 1019722661 /nfs/dbraw/zinc/72/26/61/1019722661.db2.gz YGZFOTRWAGHTCZ-UHFFFAOYSA-N -1 0 325.408 3.689 20 0 EHADRM CC(C)(CC(=O)N[C@H](CCC(=O)[O-])c1ccccc1)C(F)(F)F ZINC000262935350 1019772680 /nfs/dbraw/zinc/77/26/80/1019772680.db2.gz BTCSEAQTMVCTIP-GFCCVEGCSA-N -1 0 331.334 3.687 20 0 EHADRM CC(C)Sc1ccccc1C(=O)N1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000263015657 1019789747 /nfs/dbraw/zinc/78/97/47/1019789747.db2.gz XPQKPLAFWDXNOU-GOSISDBHSA-N -1 0 335.469 3.760 20 0 EHADRM C[C@H](N=c1[n-]nc(C(F)F)s1)c1ccc(Br)s1 ZINC000580655110 1019798764 /nfs/dbraw/zinc/79/87/64/1019798764.db2.gz IDPDLCGWXCBMFL-BYPYZUCNSA-N -1 0 340.218 3.895 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC000263156871 1019830336 /nfs/dbraw/zinc/83/03/36/1019830336.db2.gz ZLVWYFKXYOLOLR-ZFWWWQNUSA-N -1 0 343.448 3.906 20 0 EHADRM CCC[C@H](CNC(=O)c1cc(-c2ccccn2)ccc1Cl)C(=O)[O-] ZINC000263177628 1019834134 /nfs/dbraw/zinc/83/41/34/1019834134.db2.gz LJLQGZUVNROSML-CYBMUJFWSA-N -1 0 346.814 3.633 20 0 EHADRM C[C@H](NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)[C@H](C)C(=O)[O-] ZINC000263419023 1019901366 /nfs/dbraw/zinc/90/13/66/1019901366.db2.gz IJQSSTLIKSFXOY-ZQIUZPCESA-N -1 0 343.448 3.745 20 0 EHADRM C[C@H](C(=O)[N-]S(=O)(=O)C1CCCCC1)c1ccc2ccccc2c1 ZINC000175959322 1019907657 /nfs/dbraw/zinc/90/76/57/1019907657.db2.gz MKMKNMKYLRIAHM-AWEZNQCLSA-N -1 0 345.464 3.722 20 0 EHADRM CC(C)(COCc1ccccc1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000263514915 1019922844 /nfs/dbraw/zinc/92/28/44/1019922844.db2.gz DJEJFSRULVNNQH-UHFFFAOYSA-N -1 0 345.370 3.705 20 0 EHADRM COC[C@@H](C)Oc1cccc(-c2ccc(C3(C(=O)[O-])CC3)cc2)c1 ZINC000580785151 1020015287 /nfs/dbraw/zinc/01/52/87/1020015287.db2.gz PTZCUWBVPZPCBQ-CQSZACIVSA-N -1 0 326.392 3.884 20 0 EHADRM Cc1noc(Cl)c1CCC(=O)Nc1cc(Cl)c([O-])cc1F ZINC000345636198 1020407952 /nfs/dbraw/zinc/40/79/52/1020407952.db2.gz WOAHJFIRJUTYKE-UHFFFAOYSA-N -1 0 333.146 3.706 20 0 EHADRM COc1cc(-c2cccc(O[C@@H](C)C(=O)[O-])c2)cnc1C(F)(F)F ZINC000581083183 1020411643 /nfs/dbraw/zinc/41/16/43/1020411643.db2.gz PYRGBZIWSHWRSB-VIFPVBQESA-N -1 0 341.285 3.628 20 0 EHADRM CN(C)Cc1ccsc1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000345650685 1020425558 /nfs/dbraw/zinc/42/55/58/1020425558.db2.gz IUIKGSFDSPMLFJ-UHFFFAOYSA-N -1 0 328.796 3.560 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)c(F)c1)c1cccc2cccnc21 ZINC000340856632 1020469468 /nfs/dbraw/zinc/46/94/68/1020469468.db2.gz YMPZOCSJHILRJO-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)cc1)c1cccc(F)c1 ZINC000345918237 1020591358 /nfs/dbraw/zinc/59/13/58/1020591358.db2.gz YZSCDOFATBFSLA-BDJLRTHQSA-N -1 0 349.789 3.915 20 0 EHADRM C[C@H](C(=O)Nc1cc(I)ccc1O)C(C)(C)C ZINC000610491156 1020603725 /nfs/dbraw/zinc/60/37/25/1020603725.db2.gz VKFLPMLIGOCRCL-MRVPVSSYSA-N -1 0 347.196 3.618 20 0 EHADRM CC(C)CN1C(=O)c2ccccc2N[C@H]1c1ccc(C(=O)[O-])c(F)c1 ZINC000656488900 1020715586 /nfs/dbraw/zinc/71/55/86/1020715586.db2.gz ASLDNQFBOGBMBA-QGZVFWFLSA-N -1 0 342.370 3.746 20 0 EHADRM O=C([O-])C12CC(C1)CN2C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000656504957 1020762013 /nfs/dbraw/zinc/76/20/13/1020762013.db2.gz UTKDTSIHHIZYFD-UHFFFAOYSA-N -1 0 338.363 3.560 20 0 EHADRM O=C([O-])C12CC(C1)CN2C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000656505379 1020762825 /nfs/dbraw/zinc/76/28/25/1020762825.db2.gz CWYWOCLHONGGHN-UHFFFAOYSA-N -1 0 336.347 3.667 20 0 EHADRM CCc1cccc(NC(=O)N(C)[C@H](C(=O)[O-])c2cccc(OC)c2)c1 ZINC000656505012 1020763855 /nfs/dbraw/zinc/76/38/55/1020763855.db2.gz XSLISRYCAIZKIT-KRWDZBQOSA-N -1 0 342.395 3.547 20 0 EHADRM O=C(Nc1n[nH]c(-c2cccc(Cl)c2)n1)c1cccc(Cl)c1[O-] ZINC001125493645 1020781156 /nfs/dbraw/zinc/78/11/56/1020781156.db2.gz BZWUEWFWZQNENX-UHFFFAOYSA-N -1 0 349.177 3.736 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2cnn([C@@H](C)C3CC3)c2)cc1 ZINC000187727283 1020814881 /nfs/dbraw/zinc/81/48/81/1020814881.db2.gz DZCKXDTYYWGIME-ZDUSSCGKSA-N -1 0 333.457 3.607 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2cccc(C)c2F)ccc1Cl ZINC000313241183 1020852967 /nfs/dbraw/zinc/85/29/67/1020852967.db2.gz VEHZTJORAXICDM-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CC[C@H](NC(=O)N([C@@H](C)C(=O)[O-])C1CCC1)c1cccc(Cl)c1 ZINC000581465881 1020936380 /nfs/dbraw/zinc/93/63/80/1020936380.db2.gz MTTMWYGQSZYMJG-NHYWBVRUSA-N -1 0 338.835 3.828 20 0 EHADRM CC(C)c1scnc1[N-]S(=O)(=O)c1cnc2ccsc2c1 ZINC000341091901 1020974066 /nfs/dbraw/zinc/97/40/66/1020974066.db2.gz LEICXBAOKFCKHH-UHFFFAOYSA-N -1 0 339.467 3.677 20 0 EHADRM CC(C)[C@H](C(=O)[N-]S(=O)(=O)/C=C\c1ccccc1)c1ccccc1 ZINC000255315762 1021016545 /nfs/dbraw/zinc/01/65/45/1021016545.db2.gz RWAYKNUBZOJQDR-HWOXTHGCSA-N -1 0 343.448 3.543 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCC(CCCn2ccnc2)CC1 ZINC000436802121 1021246736 /nfs/dbraw/zinc/24/67/36/1021246736.db2.gz GWDVKEVTSUNYFJ-UHFFFAOYSA-N -1 0 347.846 3.575 20 0 EHADRM C[C@H]1C[C@@H](CCNC(=O)c2c([O-])cc(Cl)cc2Cl)CCO1 ZINC000436839081 1021281697 /nfs/dbraw/zinc/28/16/97/1021281697.db2.gz OELSFBWEWAKLOI-UWVGGRQHSA-N -1 0 332.227 3.634 20 0 EHADRM C[C@@H]1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)C[C@H](C)O1 ZINC000656764350 1021290642 /nfs/dbraw/zinc/29/06/42/1021290642.db2.gz ARVLBJRFDGTGIY-ISTVAULSSA-N -1 0 332.227 3.618 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc(F)cc(Br)c2[O-])CC1(C)C ZINC000436851299 1021293090 /nfs/dbraw/zinc/29/30/90/1021293090.db2.gz LHAVTGLGLYRUIU-VIFPVBQESA-N -1 0 344.224 3.802 20 0 EHADRM O=C(NCc1ccno1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436859661 1021298594 /nfs/dbraw/zinc/29/85/94/1021298594.db2.gz BUJRIJDCHPTJAV-UHFFFAOYSA-N -1 0 328.755 3.631 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)Nc1cccc(-c2ncco2)c1C ZINC000427307376 1021301504 /nfs/dbraw/zinc/30/15/04/1021301504.db2.gz HDRMCCZCCVMVAI-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM COc1cccc(OC)c1/C=C\c1nc2cc(C(=O)[O-])ccc2o1 ZINC000439279832 1021318567 /nfs/dbraw/zinc/31/85/67/1021318567.db2.gz WEROHRFMJBJXGQ-CLFYSBASSA-N -1 0 325.320 3.714 20 0 EHADRM CC[C@@H](C)CN(CC)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000436856335 1021323112 /nfs/dbraw/zinc/32/31/12/1021323112.db2.gz XLRGZSVVUHWFBK-SECBINFHSA-N -1 0 332.213 3.802 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000436902493 1021347169 /nfs/dbraw/zinc/34/71/69/1021347169.db2.gz UFEMRJKXBHBZKN-GFCCVEGCSA-N -1 0 349.789 3.868 20 0 EHADRM CC(=O)c1cc([N-]S(=O)(=O)c2cc(C)ccc2Cl)ccc1F ZINC000507548085 1021352275 /nfs/dbraw/zinc/35/22/75/1021352275.db2.gz IIZNARSIYFKGMX-UHFFFAOYSA-N -1 0 341.791 3.791 20 0 EHADRM O=C(NCCCNc1ccccc1F)c1cc(F)c([O-])c(Cl)c1 ZINC000436897272 1021360158 /nfs/dbraw/zinc/36/01/58/1021360158.db2.gz RNOAJWAIHZEDTN-UHFFFAOYSA-N -1 0 340.757 3.556 20 0 EHADRM Cn1nccc1/C=C(\CC(=O)[O-])c1nc2cc(Cl)ccc2s1 ZINC000518602826 1021366250 /nfs/dbraw/zinc/36/62/50/1021366250.db2.gz NYZVKISNFNOJPG-RMKNXTFCSA-N -1 0 333.800 3.699 20 0 EHADRM O=C(Nc1nc(-c2ccc[nH]2)cs1)c1cc(F)c([O-])c(Cl)c1 ZINC000436914125 1021368210 /nfs/dbraw/zinc/36/82/10/1021368210.db2.gz KRGTYIJDCZDIJF-UHFFFAOYSA-N -1 0 337.763 3.889 20 0 EHADRM [O-]c1cc(Cl)ccc1-c1nc(-c2cccc(-n3cccn3)c2)no1 ZINC000436940682 1021402039 /nfs/dbraw/zinc/40/20/39/1021402039.db2.gz XNWSXSPOEHXTEW-UHFFFAOYSA-N -1 0 338.754 3.948 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)c3ccc(O)c(C)c3)s2)c1 ZINC000436939276 1021402100 /nfs/dbraw/zinc/40/21/00/1021402100.db2.gz XVTQYXURQAIMIX-UHFFFAOYSA-N -1 0 339.420 3.510 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N(CCC(F)(F)F)CC1CC1 ZINC000436947576 1021410072 /nfs/dbraw/zinc/41/00/72/1021410072.db2.gz ZHLHMSWHIILNJD-UHFFFAOYSA-N -1 0 339.716 3.989 20 0 EHADRM CCCN(C(=O)c1cc(F)c([O-])c(F)c1)[C@@H]1CCCc2cccnc21 ZINC000436956125 1021420943 /nfs/dbraw/zinc/42/09/43/1021420943.db2.gz OTYRIHLJGGRXAB-MRXNPFEDSA-N -1 0 346.377 3.995 20 0 EHADRM C[C@H]1COc2ccccc2CN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436996446 1021450535 /nfs/dbraw/zinc/45/05/35/1021450535.db2.gz CDIFQOPGPLQOES-JTQLQIEISA-N -1 0 335.762 3.608 20 0 EHADRM CCOc1cccc([C@H]2C[C@@H]2NC(=O)c2cc(F)c([O-])c(Cl)c2)c1 ZINC000436994507 1021450588 /nfs/dbraw/zinc/45/05/88/1021450588.db2.gz DGDTVVFLCWKMAU-CJNGLKHVSA-N -1 0 349.789 3.869 20 0 EHADRM CC(=O)Nc1ccc(-c2noc(-c3cc(Cl)ccc3[O-])n2)cc1 ZINC000436994540 1021450678 /nfs/dbraw/zinc/45/06/78/1021450678.db2.gz DSTRZLKBXINWLN-UHFFFAOYSA-N -1 0 329.743 3.721 20 0 EHADRM CC[C@@H]1CCCCN1C(=O)c1cc(F)cc(Br)c1[O-] ZINC000436995179 1021450753 /nfs/dbraw/zinc/45/07/53/1021450753.db2.gz ABCBJHSWNCTOGV-SNVBAGLBSA-N -1 0 330.197 3.699 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C[C@H](C2CC2)O1 ZINC000436983733 1021455084 /nfs/dbraw/zinc/45/50/84/1021455084.db2.gz KXMAYUWFCPCITG-PIGZYNQJSA-N -1 0 345.826 3.838 20 0 EHADRM COc1ccc(NC(=O)c2cc(F)c([O-])c(F)c2)c(C(F)(F)F)c1 ZINC000436985698 1021458727 /nfs/dbraw/zinc/45/87/27/1021458727.db2.gz ORNLVFUHIXKCGF-UHFFFAOYSA-N -1 0 347.239 3.950 20 0 EHADRM O=C(Nc1cccc(-n2cccn2)c1)c1cc(F)c([O-])c(Cl)c1 ZINC000437007595 1021464006 /nfs/dbraw/zinc/46/40/06/1021464006.db2.gz VSGPHYOTFAQAJG-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM Cc1cc2n[nH]cc2cc1NC(=O)c1ccc(Br)cc1[O-] ZINC000437000564 1021470169 /nfs/dbraw/zinc/47/01/69/1021470169.db2.gz IOBICNWTFKEZQD-UHFFFAOYSA-N -1 0 346.184 3.592 20 0 EHADRM CC(C)c1scnc1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000288348077 1021473868 /nfs/dbraw/zinc/47/38/68/1021473868.db2.gz WSYHEPMJUDYUOK-UHFFFAOYSA-N -1 0 334.825 3.860 20 0 EHADRM Cc1cccc(COc2cccc([N-]S(=O)(=O)c3ccoc3)c2)c1 ZINC000506601519 1021501370 /nfs/dbraw/zinc/50/13/70/1021501370.db2.gz LCDMFJNUHYMLQM-UHFFFAOYSA-N -1 0 343.404 3.968 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)c1ccc3c(c1)Cc1ccccc1-3)C2 ZINC000341366223 1021549115 /nfs/dbraw/zinc/54/91/15/1021549115.db2.gz RYRHNEMKJYKGRD-JTSKRJEESA-N -1 0 347.414 3.585 20 0 EHADRM C[C@@H](NC(=O)N=c1[n-]nc(-c2ccccc2)s1)C1CCCCC1 ZINC000440590279 1021630447 /nfs/dbraw/zinc/63/04/47/1021630447.db2.gz XMLPJUARFLFORM-GFCCVEGCSA-N -1 0 330.457 3.717 20 0 EHADRM CCC(C)(C)c1ccc(CNC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000439698340 1021659788 /nfs/dbraw/zinc/65/97/88/1021659788.db2.gz MKFFSKYFBBCKHU-HOTGVXAUSA-N -1 0 331.456 3.881 20 0 EHADRM CC(C)(C)c1cnc([N-]S(=O)(=O)c2cc(F)cc(F)c2)s1 ZINC000437324745 1021729810 /nfs/dbraw/zinc/72/98/10/1021729810.db2.gz QTTCTXOZDMGGAC-UHFFFAOYSA-N -1 0 332.397 3.520 20 0 EHADRM CCc1cnc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)s1 ZINC000437312610 1021733490 /nfs/dbraw/zinc/73/34/90/1021733490.db2.gz PDEXPVPZOPUEHT-UHFFFAOYSA-N -1 0 343.282 3.875 20 0 EHADRM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccnn1-c1ccccc1 ZINC000437338957 1021735483 /nfs/dbraw/zinc/73/54/83/1021735483.db2.gz SZDAEYRGKFMIJH-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM CC(C)(C)c1cnc([N-]S(=O)(=O)c2c(F)cccc2F)s1 ZINC000437336046 1021744571 /nfs/dbraw/zinc/74/45/71/1021744571.db2.gz XYNVJQOHPSDNOU-UHFFFAOYSA-N -1 0 332.397 3.520 20 0 EHADRM CCn1c(CNC(=O)C2CCC(c3ccccc3)CC2)n[nH]c1=S ZINC000080033487 1021750800 /nfs/dbraw/zinc/75/08/00/1021750800.db2.gz JXIJDVADKZSBRQ-UHFFFAOYSA-N -1 0 344.484 3.551 20 0 EHADRM C[C@@H](N=c1[n-]c(C2CCOCC2)no1)c1cc2ccccc2s1 ZINC000516853886 1021778891 /nfs/dbraw/zinc/77/88/91/1021778891.db2.gz IZPIUHXEKZFUBN-LLVKDONJSA-N -1 0 329.425 3.773 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnccc2-c2cccc(F)c2)cc1 ZINC000439868594 1021781156 /nfs/dbraw/zinc/78/11/56/1021781156.db2.gz GIELYOWKZJNRHY-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM c1sc(CSc2n[n-]c(=NC3CC3)s2)nc1-c1ccccc1 ZINC000516842223 1021783919 /nfs/dbraw/zinc/78/39/19/1021783919.db2.gz ODAVLIBBXWMXIG-UHFFFAOYSA-N -1 0 346.506 3.950 20 0 EHADRM COc1ccc([C@@H](C)[C@@H](C)Nc2cccc(CC(=O)[O-])c2)cc1OC ZINC000516914441 1021849098 /nfs/dbraw/zinc/84/90/98/1021849098.db2.gz NTEUAPJGMQHPKY-UONOGXRCSA-N -1 0 343.423 3.935 20 0 EHADRM O=C(N[C@H]1CCc2sc(Cl)cc21)c1cc(F)c(F)c([O-])c1F ZINC000426543456 1021868878 /nfs/dbraw/zinc/86/88/78/1021868878.db2.gz XSFYVIWCSRNZRW-QMMMGPOBSA-N -1 0 347.745 3.942 20 0 EHADRM CCc1c(N=c2nc(C(F)(F)F)[n-]s2)cnn1CCC(C)C ZINC000516975894 1021907186 /nfs/dbraw/zinc/90/71/86/1021907186.db2.gz LXOQUOOHZACQLV-UHFFFAOYSA-N -1 0 333.383 3.527 20 0 EHADRM O=C(N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1)c1ccc([O-])c(Cl)c1 ZINC000437505877 1021917224 /nfs/dbraw/zinc/91/72/24/1021917224.db2.gz GSWBTMBYWLDHDI-YEORSEQZSA-N -1 0 337.753 4.000 20 0 EHADRM CCCCC[C@@H]1CCCN1C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000550320048 1021954114 /nfs/dbraw/zinc/95/41/14/1021954114.db2.gz YZVKUBLBWKBAMK-OAHLLOKOSA-N -1 0 345.418 3.902 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2ccccc2SC)c1 ZINC000188241811 1021958540 /nfs/dbraw/zinc/95/85/40/1021958540.db2.gz WZXDUELBVYYBOZ-UHFFFAOYSA-N -1 0 325.480 3.931 20 0 EHADRM O=C([O-])C1(CC(=O)NCC2(Cc3ccccc3)CCC2)CCCC1 ZINC000341484010 1022018150 /nfs/dbraw/zinc/01/81/50/1022018150.db2.gz QHSFBIAQDHAZRY-UHFFFAOYSA-N -1 0 329.440 3.551 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)c(F)cc1F ZINC000440285327 1022067013 /nfs/dbraw/zinc/06/70/13/1022067013.db2.gz PJZPLHDMOWOFIL-UHFFFAOYSA-N -1 0 336.363 3.566 20 0 EHADRM CSc1ccc(NC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc1Cl ZINC000517145719 1022070542 /nfs/dbraw/zinc/07/05/42/1022070542.db2.gz QDJXALUCAWOXSL-MWLCHTKSSA-N -1 0 342.848 3.636 20 0 EHADRM Cc1cc2cc([N-]S(=O)(=O)c3cc(C)c(F)cc3F)ccc2[nH]1 ZINC000440293504 1022071049 /nfs/dbraw/zinc/07/10/49/1022071049.db2.gz PQXWBJQAHUDNGS-UHFFFAOYSA-N -1 0 336.363 3.864 20 0 EHADRM CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000517153780 1022077198 /nfs/dbraw/zinc/07/71/98/1022077198.db2.gz LMRZSQRGSBPQKY-UHFFFAOYSA-N -1 0 335.425 3.512 20 0 EHADRM O=C([O-])c1ccc2c(c1)N(C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)CC2 ZINC000326365382 1022093144 /nfs/dbraw/zinc/09/31/44/1022093144.db2.gz SVSXWEDVCQPASS-WCQYABFASA-N -1 0 341.329 3.643 20 0 EHADRM Cc1cnc(C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)c(O)c1 ZINC000426633495 1022096086 /nfs/dbraw/zinc/09/60/86/1022096086.db2.gz GUCMFZDTOTXOGJ-UHFFFAOYSA-N -1 0 325.195 3.675 20 0 EHADRM CCCc1nc(=NC(=O)Nc2cc(-c3ncco3)ccc2C)s[n-]1 ZINC000519481655 1022136308 /nfs/dbraw/zinc/13/63/08/1022136308.db2.gz UJUWPGGVHSQSDL-UHFFFAOYSA-N -1 0 343.412 3.520 20 0 EHADRM CCC[C@]1(C)CCCN(C(=O)N=c2[n-]nc(-c3ccco3)s2)C1 ZINC000437796134 1022148982 /nfs/dbraw/zinc/14/89/82/1022148982.db2.gz GRJJYBDMTCEREV-MRXNPFEDSA-N -1 0 334.445 3.654 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)N1CCC[C@H](CC(=O)[O-])C1)C(C)(C)C ZINC000517326655 1022259523 /nfs/dbraw/zinc/25/95/23/1022259523.db2.gz BHPYLRAARIHUIC-QAPCUYQASA-N -1 0 346.471 3.979 20 0 EHADRM C[C@H](NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)[C@@H](C)c1ccccc1 ZINC000473629451 1022280207 /nfs/dbraw/zinc/28/02/07/1022280207.db2.gz ZKJDRQYFKCITMX-XFQAVAEZSA-N -1 0 339.435 3.727 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)c1ccc(Cl)cc1C(F)(F)F ZINC000471818763 1022397642 /nfs/dbraw/zinc/39/76/42/1022397642.db2.gz BDTMVSXQNQJVRL-UHFFFAOYSA-N -1 0 341.720 3.700 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)Nc2ccccc2OCC2CC2)s[n-]1 ZINC000607205287 1033055678 /nfs/dbraw/zinc/05/56/78/1033055678.db2.gz CKRSBRLNRHWZQI-UHFFFAOYSA-N -1 0 346.456 3.690 20 0 EHADRM CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)c1 ZINC000425954755 1022448732 /nfs/dbraw/zinc/44/87/32/1022448732.db2.gz XBEXRAYGABDBAS-UHFFFAOYSA-N -1 0 348.255 3.647 20 0 EHADRM COc1ccc(C(=O)[O-])cc1NCc1ccccc1Br ZINC000111310777 1022474962 /nfs/dbraw/zinc/47/49/62/1022474962.db2.gz SVOAZRTZDLOINO-UHFFFAOYSA-N -1 0 336.185 3.768 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2F)on1 ZINC000330498332 1022596680 /nfs/dbraw/zinc/59/66/80/1022596680.db2.gz AKWXZIMRPURWES-UHFFFAOYSA-N -1 0 332.784 3.565 20 0 EHADRM [O-]c1cc(Br)ccc1-c1nc(Cc2cccc(F)c2)no1 ZINC000111688723 1022704042 /nfs/dbraw/zinc/70/40/42/1022704042.db2.gz XCDKRPVBPLBDOO-UHFFFAOYSA-N -1 0 349.159 3.935 20 0 EHADRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)c1C ZINC000331104406 1022744891 /nfs/dbraw/zinc/74/48/91/1022744891.db2.gz QCFUFBRQYUJETR-SNVBAGLBSA-N -1 0 343.399 3.550 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)NCc1cc2c(s1)CCCC2 ZINC000909407077 1022827012 /nfs/dbraw/zinc/82/70/12/1022827012.db2.gz XSQPUDWORJPBPB-UHFFFAOYSA-N -1 0 343.448 3.574 20 0 EHADRM CC(C)C[C@H]1C[C@H](NC(=O)c2cc(F)cc(Cl)c2[O-])CCO1 ZINC000334087103 1022848507 /nfs/dbraw/zinc/84/85/07/1022848507.db2.gz KGUQTCCNNRDILO-NEPJUHHUSA-N -1 0 329.799 3.508 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)NCc2ccc(C)cc2)s[n-]1 ZINC000473822841 1022865930 /nfs/dbraw/zinc/86/59/30/1022865930.db2.gz JVWRNBXGGHUAHU-UHFFFAOYSA-N -1 0 344.465 3.627 20 0 EHADRM O=S(=O)([N-]c1ccc2ccccc2n1)c1cccc(Cl)c1F ZINC000517943432 1022869728 /nfs/dbraw/zinc/86/97/28/1022869728.db2.gz JWEGNVHXMADBBN-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cnn(-c2ccccc2)c1 ZINC000341659138 1022895585 /nfs/dbraw/zinc/89/55/85/1022895585.db2.gz PISATIPIBUBXMM-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM Cc1nc(CNCc2c(Cl)oc3ccccc32)sc1C(=O)[O-] ZINC000426673502 1022907431 /nfs/dbraw/zinc/90/74/31/1022907431.db2.gz XXKLMFVOIMFNHY-UHFFFAOYSA-N -1 0 336.800 3.839 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)NCC2(C3CC3)CCC2)s[n-]1 ZINC000473831027 1022909273 /nfs/dbraw/zinc/90/92/73/1022909273.db2.gz RITXHBWIYYEZKF-UHFFFAOYSA-N -1 0 348.497 3.699 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1coc(-c2cccc(Cl)c2)n1)C1CCC1 ZINC000574414597 1033098477 /nfs/dbraw/zinc/09/84/77/1033098477.db2.gz XEDUTJVACBBSSO-NSHDSACASA-N -1 0 334.803 3.823 20 0 EHADRM Cc1nc(CNCc2ncc(-c3ccccc3)s2)sc1C(=O)[O-] ZINC000426713044 1022995668 /nfs/dbraw/zinc/99/56/68/1022995668.db2.gz ASJXTRLUZPHPFH-UHFFFAOYSA-N -1 0 345.449 3.563 20 0 EHADRM CCN(C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)[C@H]1CCCC[C@H]1C ZINC000073306190 1022999796 /nfs/dbraw/zinc/99/97/96/1022999796.db2.gz RHMKPZUWEMEIOC-QAPCUYQASA-N -1 0 341.455 3.515 20 0 EHADRM Cc1cccc([C@H](NCc2cnc(CC(C)C)s2)C(=O)[O-])c1C ZINC000426740167 1023008018 /nfs/dbraw/zinc/00/80/18/1023008018.db2.gz HAWZQORFXPYAPX-KRWDZBQOSA-N -1 0 332.469 3.874 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NCc2ccccc2Br)o1 ZINC000426765040 1023016014 /nfs/dbraw/zinc/01/60/14/1023016014.db2.gz JTFCINBTJJTAMB-ZDUSSCGKSA-N -1 0 338.201 3.656 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@H](C)c2cccc(OC(F)(F)F)c2)s[n-]1 ZINC000509547040 1023024775 /nfs/dbraw/zinc/02/47/75/1023024775.db2.gz YFCUOTMYPZZYEE-BDAKNGLRSA-N -1 0 347.362 3.739 20 0 EHADRM Cc1cc(CN[C@H](C(=O)[O-])c2c(F)cccc2F)ccc1Cl ZINC000426757420 1023029112 /nfs/dbraw/zinc/02/91/12/1023029112.db2.gz ORGFLYYBRZZZBT-HNNXBMFYSA-N -1 0 325.742 3.842 20 0 EHADRM CO[C@@H](C)c1nc(=Nc2ccc(COC3CCCC3)cc2)s[n-]1 ZINC000509546379 1023037850 /nfs/dbraw/zinc/03/78/50/1023037850.db2.gz VOHPXTMBUCLRSD-LBPRGKRZSA-N -1 0 333.457 3.870 20 0 EHADRM CCc1ccc([C@H](NCc2cnc(C(C)(C)C)s2)C(=O)[O-])cc1 ZINC000426792549 1023051884 /nfs/dbraw/zinc/05/18/84/1023051884.db2.gz JZNGYEFJIRPJKQ-HNNXBMFYSA-N -1 0 332.469 3.919 20 0 EHADRM COc1c(F)cc(F)cc1NC(=O)CC1(C(=O)[O-])CCCCCC1 ZINC000348702694 1023055889 /nfs/dbraw/zinc/05/58/89/1023055889.db2.gz AGJMVUHKMLQBSL-UHFFFAOYSA-N -1 0 341.354 3.727 20 0 EHADRM O=C([O-])[C@@H](NCc1csc(-c2cccs2)n1)c1ccc(F)cc1 ZINC000426812114 1023061748 /nfs/dbraw/zinc/06/17/48/1023061748.db2.gz POLMEABBLILWPI-AWEZNQCLSA-N -1 0 348.424 3.926 20 0 EHADRM CC(C)c1noc(=NCC2(c3ccccc3Br)CC2)[n-]1 ZINC000607355405 1033103608 /nfs/dbraw/zinc/10/36/08/1033103608.db2.gz AOTSGJFYHLYFTI-UHFFFAOYSA-N -1 0 336.233 3.521 20 0 EHADRM Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc2c(c1)CCCO2 ZINC000509586113 1023090595 /nfs/dbraw/zinc/09/05/95/1023090595.db2.gz GYVHEXGIABMXLS-UHFFFAOYSA-N -1 0 337.828 3.774 20 0 EHADRM CC(C)Cc1ccc([C@H](NC(=O)N=c2[n-]ncs2)C(C)C)cc1 ZINC000518179886 1023106954 /nfs/dbraw/zinc/10/69/54/1023106954.db2.gz GHBHNKQYXXJYJA-OAHLLOKOSA-N -1 0 332.473 3.677 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000659240386 1023134265 /nfs/dbraw/zinc/13/42/65/1023134265.db2.gz RPMXZNSSWYNMMR-UFDFEIGVSA-N -1 0 335.366 3.505 20 0 EHADRM CCCCCC[C@](C)(NC(=O)[C@H]1CCC(=O)c2ccccc21)C(=O)[O-] ZINC000909430215 1023137138 /nfs/dbraw/zinc/13/71/38/1023137138.db2.gz DKEDSQXJKUDVKU-JXFKEZNVSA-N -1 0 345.439 3.677 20 0 EHADRM CCN(C)C(=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1[O-] ZINC000438945374 1023162618 /nfs/dbraw/zinc/16/26/18/1023162618.db2.gz TXCGDTNEKFJFPI-UHFFFAOYSA-N -1 0 348.617 3.630 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000487391640 1023174540 /nfs/dbraw/zinc/17/45/40/1023174540.db2.gz RMDAXTHYQWYHDH-UHFFFAOYSA-N -1 0 332.208 3.803 20 0 EHADRM CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(O)cc1O ZINC000623171968 1023252075 /nfs/dbraw/zinc/25/20/75/1023252075.db2.gz FZJQEWGFBDMUDY-UHFFFAOYSA-N -1 0 326.179 3.677 20 0 EHADRM CCn1c(C)cc(C([O-])=C[S@](=O)[C@H](C)c2ccc(F)cc2)c1C ZINC000341780636 1023308341 /nfs/dbraw/zinc/30/83/41/1023308341.db2.gz WUGIRKXAURYPTN-FATZIPQQSA-N -1 0 335.444 3.957 20 0 EHADRM O=C([O-])[C@H](CC(=O)N[C@H]1CCCc2ccc(F)cc21)c1ccccc1 ZINC000684558589 1023317805 /nfs/dbraw/zinc/31/78/05/1023317805.db2.gz LPXAOZYDYQNKOM-MSOLQXFVSA-N -1 0 341.382 3.578 20 0 EHADRM CCCc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000063235054 1033125692 /nfs/dbraw/zinc/12/56/92/1033125692.db2.gz AIWPFEVHKUUYBX-UHFFFAOYSA-N -1 0 339.363 3.611 20 0 EHADRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1sccc1SC(F)F ZINC000092546070 1023401655 /nfs/dbraw/zinc/40/16/55/1023401655.db2.gz LUIHYVPVGPNATQ-UHFFFAOYSA-N -1 0 346.336 3.929 20 0 EHADRM COc1cc(Nc2ccc(O)cc2C(F)(F)F)cc(C(=O)[O-])c1 ZINC001213595286 1023441688 /nfs/dbraw/zinc/44/16/88/1023441688.db2.gz XHADFDUIQXELGY-UHFFFAOYSA-N -1 0 327.258 3.861 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)cc1F ZINC000471971690 1023499741 /nfs/dbraw/zinc/49/97/41/1023499741.db2.gz WKIGBSCWEORPKY-UHFFFAOYSA-N -1 0 336.363 3.809 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000431214808 1023528323 /nfs/dbraw/zinc/52/83/23/1023528323.db2.gz XMSUNNZAXLZUDC-BVBHFADKSA-N -1 0 343.467 3.890 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cc2cc(F)ccc2[nH]1 ZINC000471983852 1023831209 /nfs/dbraw/zinc/83/12/09/1023831209.db2.gz KXEFVOXTYSHPLB-UHFFFAOYSA-N -1 0 326.327 3.874 20 0 EHADRM CCOc1ccccc1CCC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000326924483 1023964770 /nfs/dbraw/zinc/96/47/70/1023964770.db2.gz AOJKXAXSNMXOBJ-UHFFFAOYSA-N -1 0 341.407 3.674 20 0 EHADRM Cc1oc(CNC(=O)[C@@H](C)CCCc2ccccc2)cc1C(=O)[O-] ZINC000190922580 1023995868 /nfs/dbraw/zinc/99/58/68/1023995868.db2.gz LDASVSXHMAKHQS-ZDUSSCGKSA-N -1 0 329.396 3.561 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000522539195 1024048082 /nfs/dbraw/zinc/04/80/82/1024048082.db2.gz NKTYQUUQPORMKE-STQMWFEESA-N -1 0 348.233 3.825 20 0 EHADRM CC(=O)c1ccc(NC(=O)CC2(C(=O)[O-])CCCCCC2)cc1C ZINC000236660228 1024063566 /nfs/dbraw/zinc/06/35/66/1024063566.db2.gz MGWPEADZFZNPEJ-UHFFFAOYSA-N -1 0 331.412 3.951 20 0 EHADRM O=C([O-])CCc1cccc(-c2cc(F)ccc2OC[C@H]2CCOC2)c1 ZINC000657204258 1024086092 /nfs/dbraw/zinc/08/60/92/1024086092.db2.gz MRKOJHQDQPMCBW-HNNXBMFYSA-N -1 0 344.382 3.925 20 0 EHADRM COc1cc(C)c(-c2cncc([C@@H]3OCC[C@H]3C(=O)[O-])c2)cc1C ZINC000657204968 1024087246 /nfs/dbraw/zinc/08/72/46/1024087246.db2.gz HYRCATYRNIPKEW-QAPCUYQASA-N -1 0 327.380 3.536 20 0 EHADRM Cc1cc(-c2cccc(C3(C(=O)[O-])CC3)c2)ccc1O[C@@H]1CCOC1 ZINC000657204834 1024096265 /nfs/dbraw/zinc/09/62/65/1024096265.db2.gz QSEOYLQEMOKLIL-GOSISDBHSA-N -1 0 338.403 3.946 20 0 EHADRM Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000182468234 1024098815 /nfs/dbraw/zinc/09/88/15/1024098815.db2.gz RXWXZDNMTKURIY-UHFFFAOYSA-N -1 0 325.455 3.860 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)N3[C@@H]4CCCC[C@H]4C[C@H]3C(=O)[O-])cc2C1 ZINC000323923501 1024102070 /nfs/dbraw/zinc/10/20/70/1024102070.db2.gz WCCJQWXTZYGVIA-OSRDXIQISA-N -1 0 347.480 3.731 20 0 EHADRM COCCc1cccc(-c2cccc(C[C@H](CCOC)C(=O)[O-])c2)c1 ZINC000657205230 1024105298 /nfs/dbraw/zinc/10/52/98/1024105298.db2.gz YXQUHBVNWNDJPC-FQEVSTJZSA-N -1 0 342.435 3.822 20 0 EHADRM CC(C)C[C@@]1(CO)CCCN1C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000191499230 1024111821 /nfs/dbraw/zinc/11/18/21/1024111821.db2.gz JKPKIVPKWJMYNI-MRXNPFEDSA-N -1 0 346.254 3.712 20 0 EHADRM Cc1cccc(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)c1Cl ZINC000191526745 1024118854 /nfs/dbraw/zinc/11/88/54/1024118854.db2.gz WAQZRCFLEQHQSK-OAHLLOKOSA-N -1 0 345.826 3.854 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)N=c2nc(C(C)(C)C)[n-]s2)c1C ZINC000522618350 1024121014 /nfs/dbraw/zinc/12/10/14/1024121014.db2.gz SLNNDWDGGHEJPB-LBPRGKRZSA-N -1 0 332.473 3.757 20 0 EHADRM COCC[C@@H](Cc1cccc(-c2cncc(C(F)F)c2)c1)C(=O)[O-] ZINC000657206671 1024128670 /nfs/dbraw/zinc/12/86/70/1024128670.db2.gz YTXVBPYQJIYMBC-AWEZNQCLSA-N -1 0 335.350 3.966 20 0 EHADRM O=C([O-])CCCC(=O)c1ccc(-c2cccc3c2OCCCO3)cc1 ZINC000657206855 1024129113 /nfs/dbraw/zinc/12/91/13/1024129113.db2.gz BVEPBPKQRCTILI-UHFFFAOYSA-N -1 0 340.375 3.953 20 0 EHADRM COCCCOc1ccc(-c2ccc(C(=O)CCC(=O)[O-])cc2)cc1 ZINC000657207789 1024130641 /nfs/dbraw/zinc/13/06/41/1024130641.db2.gz XGLYDBLQRMYNFO-UHFFFAOYSA-N -1 0 342.391 3.816 20 0 EHADRM Cc1cc(C)c(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)[nH]1 ZINC000346032355 1024182249 /nfs/dbraw/zinc/18/22/49/1024182249.db2.gz WGNMQIQMIWNWJA-UHFFFAOYSA-N -1 0 338.363 3.500 20 0 EHADRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cccc([C@@H](C)OC)c1 ZINC000434629656 1024230494 /nfs/dbraw/zinc/23/04/94/1024230494.db2.gz XIXTZPGOOANDTK-CQSZACIVSA-N -1 0 349.452 3.820 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)N2CCCCC[C@@H]2C)s[n-]1 ZINC000329934939 1024256676 /nfs/dbraw/zinc/25/66/76/1024256676.db2.gz QTCHIXDODQPWGW-NSHDSACASA-N -1 0 336.486 3.793 20 0 EHADRM Cc1cc(Nc2cc(C)cc(C(=O)[O-])c2)n(C(=O)OC(C)(C)C)n1 ZINC001211534879 1024265437 /nfs/dbraw/zinc/26/54/37/1024265437.db2.gz IGHGXFGJHWQBAA-UHFFFAOYSA-N -1 0 331.372 3.725 20 0 EHADRM Cc1ccc(/C=C(/C(=O)C(=O)[O-])c2ccc3ccccc3n2)cc1F ZINC000067427869 1024285439 /nfs/dbraw/zinc/28/54/39/1024285439.db2.gz KNEYYOMTFKQKGN-XNTDXEJSSA-N -1 0 335.334 3.877 20 0 EHADRM COc1nccc(Nc2cc(C)cc(C(=O)[O-])c2)c1Br ZINC001211535196 1024319361 /nfs/dbraw/zinc/31/93/61/1024319361.db2.gz SMJBVZDBDYXTQQ-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM CC(C)c1nn(C)cc1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000281290119 1024341774 /nfs/dbraw/zinc/34/17/74/1024341774.db2.gz YBUKHYBMOCLVQP-UHFFFAOYSA-N -1 0 348.255 3.651 20 0 EHADRM CCOc1cccc(CN=c2[n-]nc(CCCc3cccs3)o2)c1 ZINC000346122740 1024423911 /nfs/dbraw/zinc/42/39/11/1024423911.db2.gz SMNUYJSJFJHBPE-UHFFFAOYSA-N -1 0 343.452 3.739 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ncc(-c3ccccc3)s2)s1 ZINC000119646332 1024480660 /nfs/dbraw/zinc/48/06/60/1024480660.db2.gz ZJXUBROWDKZVNU-UHFFFAOYSA-N -1 0 336.463 3.981 20 0 EHADRM CC(C)c1nc2cc([N-]S(=O)(=O)c3cnn(C(C)C)c3)ccc2o1 ZINC000607613343 1033217179 /nfs/dbraw/zinc/21/71/79/1033217179.db2.gz XVZNDLNVKOYTEM-UHFFFAOYSA-N -1 0 348.428 3.529 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)[nH]n2)c(Cl)c1 ZINC000434968201 1024529675 /nfs/dbraw/zinc/52/96/75/1024529675.db2.gz KWBVFQZLRZJZJV-UHFFFAOYSA-N -1 0 347.827 3.839 20 0 EHADRM CC(C)[C@@H](C)Sc1nc2c(cnn2Cc2ccccc2)c(=O)[nH]1 ZINC000657283163 1024531663 /nfs/dbraw/zinc/53/16/63/1024531663.db2.gz AITGXBDOKPZFPY-GFCCVEGCSA-N -1 0 328.441 3.717 20 0 EHADRM FC(F)Oc1ccc2ccccc2c1CN=c1[n-]nc(C(F)F)o1 ZINC000346070321 1024533117 /nfs/dbraw/zinc/53/31/17/1024533117.db2.gz KCCLJJPQYBEYNN-UHFFFAOYSA-N -1 0 341.264 3.796 20 0 EHADRM Cc1c(Cl)cc(NC(=O)N[C@@H](CC(F)F)C(=O)[O-])cc1Cl ZINC000520746714 1024602883 /nfs/dbraw/zinc/60/28/83/1024602883.db2.gz UYLPXBMPXPDLIT-VIFPVBQESA-N -1 0 341.141 3.532 20 0 EHADRM Cc1cccc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c1Cl ZINC000190851068 1024658337 /nfs/dbraw/zinc/65/83/37/1024658337.db2.gz ARWRPCNQFDUUAG-BLLLJJGKSA-N -1 0 331.799 3.840 20 0 EHADRM COC[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1ccc(Cl)cc1 ZINC000192570471 1024666672 /nfs/dbraw/zinc/66/66/72/1024666672.db2.gz SACHHFJAFGFFLS-AWEZNQCLSA-N -1 0 340.206 3.817 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)CC[C@H]1CCc3ccccc31)CC2 ZINC000909454606 1024690087 /nfs/dbraw/zinc/69/00/87/1024690087.db2.gz QOSMVYUFXGEVNR-QGZVFWFLSA-N -1 0 349.430 3.780 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)CC[C@@H]1CCc3ccccc31)CC2 ZINC000909454604 1024690108 /nfs/dbraw/zinc/69/01/08/1024690108.db2.gz QOSMVYUFXGEVNR-KRWDZBQOSA-N -1 0 349.430 3.780 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)CC1(C(=O)[O-])CCC1 ZINC000262564307 1033229149 /nfs/dbraw/zinc/22/91/49/1033229149.db2.gz WIDQJWKDTXFLFU-UHFFFAOYSA-N -1 0 325.792 3.712 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2ccnn2[C@H](C)CC(C)C)c1 ZINC000435202185 1024698134 /nfs/dbraw/zinc/69/81/34/1024698134.db2.gz QMZMBMCREWDIES-CQSZACIVSA-N -1 0 335.473 3.853 20 0 EHADRM O=S(=O)([N-]c1cc(F)ccc1O)c1cccc(-c2ccccc2)c1 ZINC000507907093 1024772473 /nfs/dbraw/zinc/77/24/73/1024772473.db2.gz DSYRLKYCYIBQET-UHFFFAOYSA-N -1 0 343.379 3.999 20 0 EHADRM O=C([O-])CCC/C(=C\c1cnccn1)c1nc2ccccc2s1 ZINC000514816148 1024774590 /nfs/dbraw/zinc/77/45/90/1024774590.db2.gz ICTXOOWQQSIHSV-ZRDIBKRKSA-N -1 0 325.393 3.882 20 0 EHADRM O=S(=O)([N-]c1noc2ccc(Cl)cc21)c1cccc(F)c1F ZINC000427754930 1024776949 /nfs/dbraw/zinc/77/69/49/1024776949.db2.gz GWZYICISIIXWAH-UHFFFAOYSA-N -1 0 344.726 3.560 20 0 EHADRM O=S(=O)([N-]c1cccc2c1CCO2)c1csc2ccccc21 ZINC000507967102 1024794329 /nfs/dbraw/zinc/79/43/29/1024794329.db2.gz HABNQYODYQXYHP-UHFFFAOYSA-N -1 0 331.418 3.637 20 0 EHADRM C[C@](CNC(=O)[C@H]1CCCC[C@@H]1C1CC1)(C(=O)[O-])c1ccc(F)cc1 ZINC000514862983 1024795580 /nfs/dbraw/zinc/79/55/80/1024795580.db2.gz LPNUPVAXRISYSB-FUHIMQAGSA-N -1 0 347.430 3.501 20 0 EHADRM Cc1nc2cc(NC(=O)C[C@@](C)(C(=O)[O-])c3ccccc3)ccc2o1 ZINC000012692715 1024861273 /nfs/dbraw/zinc/86/12/73/1024861273.db2.gz QJELOPULOSMZQT-LJQANCHMSA-N -1 0 338.363 3.507 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccc(C(=O)C2CCC2)cc1 ZINC000514902651 1024868619 /nfs/dbraw/zinc/86/86/19/1024868619.db2.gz DUGOJJLYBMRGJE-UHFFFAOYSA-N -1 0 335.450 3.840 20 0 EHADRM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc2ccccc2n1 ZINC000430391058 1024890534 /nfs/dbraw/zinc/89/05/34/1024890534.db2.gz YQHDSKQIUHUGDR-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CCCC[C@@H]1c1ncc[nH]1 ZINC000514948130 1024925205 /nfs/dbraw/zinc/92/52/05/1024925205.db2.gz VEACPTSUMINXOD-GFCCVEGCSA-N -1 0 339.317 3.502 20 0 EHADRM C[C@@H]1CCC[C@H](NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)C1 ZINC000684720416 1024973237 /nfs/dbraw/zinc/97/32/37/1024973237.db2.gz YRRRVYBCPQFSLS-IWCQGFGOSA-N -1 0 330.428 3.565 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1cc(F)c(F)c(F)c1F ZINC000474439171 1024974749 /nfs/dbraw/zinc/97/47/49/1024974749.db2.gz MLVHQHYKLFFNCJ-UHFFFAOYSA-N -1 0 337.631 3.993 20 0 EHADRM Cc1cccc2[nH]c(CCC(=O)Nc3cc(F)cc(Cl)c3[O-])nc21 ZINC000474442489 1024988680 /nfs/dbraw/zinc/98/86/80/1024988680.db2.gz XRTJKWMTZFEFLI-UHFFFAOYSA-N -1 0 347.777 3.941 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2CC3(CCC3)C[C@@H]2C)n1 ZINC000330340166 1025022563 /nfs/dbraw/zinc/02/25/63/1025022563.db2.gz XOJIDBSOIAEIOS-AWEZNQCLSA-N -1 0 339.439 3.545 20 0 EHADRM FC(F)(F)c1n[n-]c(=N[C@H]2C[C@H](c3cccc(Cl)c3)C2)s1 ZINC000435598288 1025025732 /nfs/dbraw/zinc/02/57/32/1025025732.db2.gz OBVLCIGRIATXJT-CZMCAQCFSA-N -1 0 333.766 3.990 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)NCCc1cccc2ccccc21 ZINC000684723362 1025026205 /nfs/dbraw/zinc/02/62/05/1025026205.db2.gz SSAXXAQSHBTSFB-SFHVURJKSA-N -1 0 342.439 3.523 20 0 EHADRM CC(C)Oc1ccc([C@H](C)NC(=O)N(C)C2(C(=O)[O-])CCCC2)cc1 ZINC000684724743 1025044105 /nfs/dbraw/zinc/04/41/05/1025044105.db2.gz IEXMKXZQUSRQDZ-AWEZNQCLSA-N -1 0 348.443 3.574 20 0 EHADRM Cc1ccc(CSCC(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000013224753 1025077588 /nfs/dbraw/zinc/07/75/88/1025077588.db2.gz QSVRTPKVZUMMGE-QGZVFWFLSA-N -1 0 343.448 3.560 20 0 EHADRM O=C(C=CCc1ccc(F)cc1)N=c1nc(-c2ccccc2)[n-]s1 ZINC000474524199 1025103828 /nfs/dbraw/zinc/10/38/28/1025103828.db2.gz UXOVRGGOMIKURO-PLNGDYQASA-N -1 0 339.395 3.808 20 0 EHADRM C[C@H](NC(=O)N([C@@H](C)C(=O)[O-])C1CCC1)c1ccc(F)cc1Cl ZINC000684736375 1025118768 /nfs/dbraw/zinc/11/87/68/1025118768.db2.gz RTENHZJSEQBVAG-UWVGGRQHSA-N -1 0 342.798 3.577 20 0 EHADRM CC(C)c1nc2cc(NC(=O)C3=C(C(=O)[O-])CCCC3)ccc2o1 ZINC000326839847 1025150251 /nfs/dbraw/zinc/15/02/51/1025150251.db2.gz CCNQJSCMWRRZON-UHFFFAOYSA-N -1 0 328.368 3.845 20 0 EHADRM CCCc1nc(=NC(=O)Nc2cccc(-c3ncco3)c2C)s[n-]1 ZINC000520978365 1025156043 /nfs/dbraw/zinc/15/60/43/1025156043.db2.gz GAUXGZAZEMKRGV-UHFFFAOYSA-N -1 0 343.412 3.520 20 0 EHADRM CCCCCc1ccc(NC(=O)N2CC[C@H](OC)C[C@@H]2C(=O)[O-])cc1 ZINC000684742151 1025184836 /nfs/dbraw/zinc/18/48/36/1025184836.db2.gz OOXBVADWTIODBI-DLBZAZTESA-N -1 0 348.443 3.515 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000582085787 1025222642 /nfs/dbraw/zinc/22/26/42/1025222642.db2.gz WMCLOUNPDJGWLU-UHFFFAOYSA-N -1 0 327.384 3.690 20 0 EHADRM Cc1cnc(-c2cccc(NC(=O)N3CCCCC[C@@H]3C(=O)[O-])c2)o1 ZINC000684749732 1025267179 /nfs/dbraw/zinc/26/71/79/1025267179.db2.gz PVJBFZRXWDPSKC-OAHLLOKOSA-N -1 0 343.383 3.511 20 0 EHADRM CSc1ccccc1S(=O)(=O)Nc1ccc(OCC2CC2)cc1 ZINC000436029209 1025312411 /nfs/dbraw/zinc/31/24/11/1025312411.db2.gz WVYSFLDEKFRVQJ-UHFFFAOYSA-N -1 0 349.477 3.998 20 0 EHADRM O=C(Cc1nc(=O)c2sc(-c3ccccc3Cl)cc2[n-]1)C1CC1 ZINC000119839747 1025316145 /nfs/dbraw/zinc/31/61/45/1025316145.db2.gz VAXSSOVKFJWBRS-UHFFFAOYSA-N -1 0 344.823 3.827 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)c(Cl)c1 ZINC000521303746 1025322129 /nfs/dbraw/zinc/32/21/29/1025322129.db2.gz JLJRLFVIWLFIDN-UHFFFAOYSA-N -1 0 348.207 3.508 20 0 EHADRM CO[C@@H](C)c1nc(=NC(=O)[C@@H](C)c2ccc3ccccc3c2)s[n-]1 ZINC000511080368 1025383212 /nfs/dbraw/zinc/38/32/12/1025383212.db2.gz OJXMCOWIGWDPEF-RYUDHWBXSA-N -1 0 341.436 3.563 20 0 EHADRM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)Nc1ccc(C2CCC2)cc1 ZINC000515604944 1025399713 /nfs/dbraw/zinc/39/97/13/1025399713.db2.gz LIOHQAOZMZWKMD-PVAVHDDUSA-N -1 0 328.412 3.671 20 0 EHADRM C[C@@H](CN=c1[n-]nc(-c2cc(Cl)cc(Cl)c2)s1)C[C@H](C)O ZINC000444082859 1025425388 /nfs/dbraw/zinc/42/53/88/1025425388.db2.gz WVKCWMSCOIDLSA-BDAKNGLRSA-N -1 0 346.283 3.753 20 0 EHADRM Cc1c(C(=O)[O-])cnn1-c1cccc(NC(=O)[C@H]2CC[C@H](C)CC2)c1 ZINC000521631356 1025532705 /nfs/dbraw/zinc/53/27/05/1025532705.db2.gz LWPMSRXUEMUJTJ-MQMHXKEQSA-N -1 0 341.411 3.644 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2ccc3ccccc3c2)CCCCC1 ZINC000392097059 1025574468 /nfs/dbraw/zinc/57/44/68/1025574468.db2.gz WXFYWYVNPWTOGX-UHFFFAOYSA-N -1 0 325.408 3.995 20 0 EHADRM CC(C)[C@H](NC(=O)C[C@@H](C)CC(=O)[O-])c1ccc(Cl)cc1F ZINC000574584866 1033292588 /nfs/dbraw/zinc/29/25/88/1033292588.db2.gz NZHVLWWIFXWWLK-HWPZZCPQSA-N -1 0 329.799 3.793 20 0 EHADRM O=C(Nc1ccc2ccoc2c1)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000442925379 1025600990 /nfs/dbraw/zinc/60/09/90/1025600990.db2.gz RQJTXPNUSKDHGB-UHFFFAOYSA-N -1 0 337.310 3.716 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)NC[C@@H]1CCCc2ccccc21 ZINC000262278635 1025601768 /nfs/dbraw/zinc/60/17/68/1025601768.db2.gz ZDUBTTXCNHRCEG-KRWDZBQOSA-N -1 0 337.419 3.554 20 0 EHADRM C[C@@H](OCC(F)(F)F)c1noc(Cc2ccc(O)c(Cl)c2)n1 ZINC000896613951 1025712067 /nfs/dbraw/zinc/71/20/67/1025712067.db2.gz AKLLJBOLBCJOBI-SSDOTTSWSA-N -1 0 336.697 3.659 20 0 EHADRM C[C@H](Oc1ccc(-c2ccccc2OC[C@H]2CCOC2)cc1)C(=O)[O-] ZINC000521900400 1025755174 /nfs/dbraw/zinc/75/51/74/1025755174.db2.gz LQQHZUJZMCCRJH-GJZGRUSLSA-N -1 0 342.391 3.621 20 0 EHADRM Cc1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])c1 ZINC000436476469 1025771875 /nfs/dbraw/zinc/77/18/75/1025771875.db2.gz FTTDUMUTPCLBPK-UHFFFAOYSA-N -1 0 331.315 3.520 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000487425231 1025772556 /nfs/dbraw/zinc/77/25/56/1025772556.db2.gz CHBKXXFDMJGPLF-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM Cc1ccc(F)cc1[N-]S(=O)(=O)c1cnc2ccc(F)cc2c1 ZINC000436478934 1025774426 /nfs/dbraw/zinc/77/44/26/1025774426.db2.gz OOLRUCLXWUXNRG-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2[O-])c1 ZINC000436495197 1025780904 /nfs/dbraw/zinc/78/09/04/1025780904.db2.gz XHFAJTHXPVVNAT-UHFFFAOYSA-N -1 0 346.814 3.826 20 0 EHADRM O=C(NCCCc1c[nH]c2ccc(F)cc12)c1cc(F)c([O-])c(F)c1 ZINC000436510299 1025805129 /nfs/dbraw/zinc/80/51/29/1025805129.db2.gz IPEHBTJWTZAXSC-UHFFFAOYSA-N -1 0 348.324 3.653 20 0 EHADRM Cc1cc(F)cc([C@]2(F)CCN(C(=O)c3ccc(F)cc3[O-])C2)c1 ZINC000436516635 1025813151 /nfs/dbraw/zinc/81/31/51/1025813151.db2.gz UVJYVIMCYJQNAR-SFHVURJKSA-N -1 0 335.325 3.690 20 0 EHADRM O=C([O-])CCCc1ccc(-c2ccc(O[C@H]3CCOC3)cc2)s1 ZINC000582312332 1025822788 /nfs/dbraw/zinc/82/27/88/1025822788.db2.gz UPCXNGFWZHFQIC-HNNXBMFYSA-N -1 0 332.421 3.990 20 0 EHADRM C[C@@H]1C[C@@]1(NC(=O)c1cc(F)c([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000436521011 1025824242 /nfs/dbraw/zinc/82/42/42/1025824242.db2.gz YREVYYXWBVQVSH-XLFHBGCDSA-N -1 0 337.753 3.989 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)N(Cc1ccco1)Cc1cccs1 ZINC000324432538 1025828831 /nfs/dbraw/zinc/82/88/31/1025828831.db2.gz CNBYUMBKOHMKPN-HZPDHXFCSA-N -1 0 345.420 3.537 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC000262404533 1025846088 /nfs/dbraw/zinc/84/60/88/1025846088.db2.gz OGIQIFCDLNBZMS-UHFFFAOYSA-N -1 0 339.391 3.614 20 0 EHADRM CN(CCCOc1cccc(Cl)c1)C(=O)c1ccc(F)cc1[O-] ZINC000436559679 1025884454 /nfs/dbraw/zinc/88/44/54/1025884454.db2.gz BDHJLFXBULYYBI-UHFFFAOYSA-N -1 0 337.778 3.726 20 0 EHADRM c1sc(C2CCCC2)nc1CSc1n[n-]c(=NC2CC2)s1 ZINC000329474230 1025896983 /nfs/dbraw/zinc/89/69/83/1025896983.db2.gz NMKKKDPMPQWNGI-UHFFFAOYSA-N -1 0 338.527 3.941 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000262170115 1025900761 /nfs/dbraw/zinc/90/07/61/1025900761.db2.gz DUHWMQHRVYZOHP-AWEZNQCLSA-N -1 0 341.407 3.845 20 0 EHADRM C[C@@H]1[C@H](C)OCCN1C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436594090 1025910790 /nfs/dbraw/zinc/91/07/90/1025910790.db2.gz DDEOAKZNBYJRPI-OLZOCXBDSA-N -1 0 345.826 3.962 20 0 EHADRM C[C@@H]1CCC[C@H](C)N(C(=O)c2ccc(Br)cc2O)C1 ZINC000436589028 1025926712 /nfs/dbraw/zinc/92/67/12/1025926712.db2.gz JKKLOGMWAXDBGT-MNOVXSKESA-N -1 0 326.234 3.805 20 0 EHADRM CCc1nc(CN=c2[n-]nc(-c3cc4c(s3)CCCC4)o2)cs1 ZINC000516076186 1025957440 /nfs/dbraw/zinc/95/74/40/1025957440.db2.gz HBTJWGUNEHXBAT-UHFFFAOYSA-N -1 0 346.481 3.730 20 0 EHADRM CCCN(C(=O)c1cc(F)c([O-])c(F)c1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000436633202 1025961987 /nfs/dbraw/zinc/96/19/87/1025961987.db2.gz GDAJWPLUSPOHLT-CABCVRRESA-N -1 0 341.398 3.726 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCn2c(cc3ccccc32)C1 ZINC000436652822 1025979637 /nfs/dbraw/zinc/97/96/37/1025979637.db2.gz ADUVEMDFEOWPIE-UHFFFAOYSA-N -1 0 344.773 3.795 20 0 EHADRM C[C@@H]1COCC[C@@H]1CNC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436656424 1025987204 /nfs/dbraw/zinc/98/72/04/1025987204.db2.gz QAJWSGJTPARECE-VXGBXAGGSA-N -1 0 333.815 3.601 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCN(CC2CC2)c2ccccc21 ZINC000436639200 1025988084 /nfs/dbraw/zinc/98/80/84/1025988084.db2.gz JJYVJDVIWHSJHH-UHFFFAOYSA-N -1 0 342.826 3.922 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H](C)Oc2ccccc2F)c1 ZINC000436642616 1025991887 /nfs/dbraw/zinc/99/18/87/1025991887.db2.gz BRTOPSPVXGHAEK-NSHDSACASA-N -1 0 331.343 3.530 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc3c(cccc3F)[nH]2)c1 ZINC000436648913 1025998393 /nfs/dbraw/zinc/99/83/93/1025998393.db2.gz NOESALYNVAWTHX-UHFFFAOYSA-N -1 0 326.327 3.858 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cccc(NC(C)=O)c2C)c1 ZINC000436648540 1026000980 /nfs/dbraw/zinc/00/09/80/1026000980.db2.gz MRJAVOXGLQORQX-UHFFFAOYSA-N -1 0 340.379 3.504 20 0 EHADRM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3c(C)noc3C)c2)n1 ZINC000443416286 1026007897 /nfs/dbraw/zinc/00/78/97/1026007897.db2.gz SRQHFMDIRQYTDY-UHFFFAOYSA-N -1 0 349.437 3.524 20 0 EHADRM Cc1cc(Nc2cnc(Br)c(F)c2)cc(C(=O)[O-])c1 ZINC001211543195 1026015775 /nfs/dbraw/zinc/01/57/75/1026015775.db2.gz YVXBYYKGTVRAMJ-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM Cc1nc([C@H](C)NC(=O)C2(C3CCCCC3)CC2)sc1C(=O)[O-] ZINC000909502877 1026019513 /nfs/dbraw/zinc/01/95/13/1026019513.db2.gz GXAWQBOPYDUBNR-NSHDSACASA-N -1 0 336.457 3.687 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)c2cccc3c2CCCC3)sc1C(=O)[O-] ZINC000909502928 1026019811 /nfs/dbraw/zinc/01/98/11/1026019811.db2.gz HJMDOUOCSLMWRK-LLVKDONJSA-N -1 0 344.436 3.520 20 0 EHADRM Cc1ccc([C@@H](C)N(C)C(=O)NC[C@H](C(=O)[O-])C2CCC2)c(C)c1 ZINC000665328221 1026054794 /nfs/dbraw/zinc/05/47/94/1026054794.db2.gz GCTYKDBSPJGLEB-PBHICJAKSA-N -1 0 332.444 3.507 20 0 EHADRM Cc1nc(CSc2n[n-]c(=NCc3ccco3)s2)c(C)s1 ZINC000443453087 1026059049 /nfs/dbraw/zinc/05/90/49/1026059049.db2.gz JCDWNVKYJXBEDH-UHFFFAOYSA-N -1 0 338.483 3.531 20 0 EHADRM CCCCOc1ccc(OC)cc1NC(=O)c1c([O-])cccc1F ZINC000436702395 1026064806 /nfs/dbraw/zinc/06/48/06/1026064806.db2.gz ICOXKOWEZTZCFQ-UHFFFAOYSA-N -1 0 333.359 3.971 20 0 EHADRM O=C([O-])c1ccnc(/C=C/c2cc(Cl)c3c(c2)OCCCO3)c1 ZINC000559941294 1026069083 /nfs/dbraw/zinc/06/90/83/1026069083.db2.gz VSTGZVYGFJXYBX-NSCUHMNNSA-N -1 0 331.755 3.765 20 0 EHADRM CC(C)(CCC(=O)[O-])C(=O)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000909569355 1026073147 /nfs/dbraw/zinc/07/31/47/1026073147.db2.gz MZRFFFGVQVKHRN-UHFFFAOYSA-N -1 0 335.831 3.847 20 0 EHADRM CCC(CC)(NC(=O)[C@H](C)c1ccc2cc(OC)ccc2c1)C(=O)[O-] ZINC000342523680 1026074421 /nfs/dbraw/zinc/07/44/21/1026074421.db2.gz KQVNKYJZBXPREN-CYBMUJFWSA-N -1 0 343.423 3.712 20 0 EHADRM C[C@@H](NC(=O)c1c([O-])cc(Cl)cc1Cl)c1c(F)cncc1F ZINC000436717009 1026084441 /nfs/dbraw/zinc/08/44/41/1026084441.db2.gz VGFBMNFXMNERSR-ZCFIWIBFSA-N -1 0 347.148 3.863 20 0 EHADRM Cc1nc(NC(=O)c2cc(Br)cc(Cl)c2[O-])cs1 ZINC000436742892 1026112531 /nfs/dbraw/zinc/11/25/31/1026112531.db2.gz YPYUISNTRPMZBH-UHFFFAOYSA-N -1 0 347.621 3.825 20 0 EHADRM COc1ccc(CN(C)C(=O)c2c([O-])cc(Cl)cc2Cl)cc1 ZINC000436757603 1026127523 /nfs/dbraw/zinc/12/75/23/1026127523.db2.gz UUTYHCIHYYRYHV-UHFFFAOYSA-N -1 0 340.206 3.980 20 0 EHADRM CCc1nc([C@@H](C)NC(=O)c2ccc(C(F)(F)F)cc2O)cs1 ZINC000436751505 1026140241 /nfs/dbraw/zinc/14/02/41/1026140241.db2.gz LTURFHIJOHYVNO-MRVPVSSYSA-N -1 0 344.358 3.921 20 0 EHADRM O=C(Nc1ccn(-c2ccccc2)n1)c1c([O-])cc(Cl)cc1Cl ZINC000436753190 1026141771 /nfs/dbraw/zinc/14/17/71/1026141771.db2.gz CNWNDHUBBHVFFQ-UHFFFAOYSA-N -1 0 348.189 3.559 20 0 EHADRM COc1ccccc1CCNC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000436756711 1026146132 /nfs/dbraw/zinc/14/61/32/1026146132.db2.gz DGLZJKZYRHSPNZ-UHFFFAOYSA-N -1 0 340.206 3.680 20 0 EHADRM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000614732265 1026236592 /nfs/dbraw/zinc/23/65/92/1026236592.db2.gz WVEUSQDBACHLTH-UHFFFAOYSA-N -1 0 326.421 3.961 20 0 EHADRM CCOc1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000511125724 1026253193 /nfs/dbraw/zinc/25/31/93/1026253193.db2.gz ZUWCGQOJMWRKPM-UHFFFAOYSA-N -1 0 325.817 3.848 20 0 EHADRM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CC1(C(=O)[O-])CCC1 ZINC000262441683 1026314203 /nfs/dbraw/zinc/31/42/03/1026314203.db2.gz CUAKQLIRPYCKHH-IRXDYDNUSA-N -1 0 329.440 3.816 20 0 EHADRM O=S(=O)([N-]c1ccc2cc[nH]c2c1)c1c[nH]c2cccc(F)c21 ZINC000193480245 1026331101 /nfs/dbraw/zinc/33/11/01/1026331101.db2.gz NDXYXZPFCHFKKJ-UHFFFAOYSA-N -1 0 329.356 3.589 20 0 EHADRM Cc1cc(C(=O)[O-])cc(N(C)c2c(N)cccc2Br)c1 ZINC001211547462 1026471399 /nfs/dbraw/zinc/47/13/99/1026471399.db2.gz QFYCKEVPXYIEDW-UHFFFAOYSA-N -1 0 335.201 3.806 20 0 EHADRM Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2c(F)cccc2F)s1 ZINC000122501780 1026516132 /nfs/dbraw/zinc/51/61/32/1026516132.db2.gz LNWJAQNVTLYRIP-UHFFFAOYSA-N -1 0 346.424 3.729 20 0 EHADRM CCCC(=O)Nc1cccc(CN=c2nc(C3CCCC3)[n-]s2)c1 ZINC000582539706 1026517958 /nfs/dbraw/zinc/51/79/58/1026517958.db2.gz GUSZPAYODKRINJ-UHFFFAOYSA-N -1 0 344.484 3.968 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)Nc2cc(OC)c(C)cc2C)s1 ZINC000431440676 1026519989 /nfs/dbraw/zinc/51/99/89/1026519989.db2.gz KTIVZRFCEZBJKL-UHFFFAOYSA-N -1 0 334.445 3.572 20 0 EHADRM CC(F)(F)CCNC(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000452216433 1026583549 /nfs/dbraw/zinc/58/35/49/1026583549.db2.gz ORXGZJUOLOQBII-UHFFFAOYSA-N -1 0 342.567 3.583 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)Nc1ccc(COc2ccccc2)cc1 ZINC000582583889 1026670275 /nfs/dbraw/zinc/67/02/75/1026670275.db2.gz BGJQMJYBKIYKTJ-UHFFFAOYSA-N -1 0 342.395 3.593 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)c2cccc(C)c2Cl)c1OC ZINC000431457060 1026670424 /nfs/dbraw/zinc/67/04/24/1026670424.db2.gz KSHXHNHTPXBOFW-UHFFFAOYSA-N -1 0 349.770 3.616 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000262726642 1026690230 /nfs/dbraw/zinc/69/02/30/1026690230.db2.gz STDWGSNTLKJYGH-IIAWOOMASA-N -1 0 335.831 3.798 20 0 EHADRM CCN(CC)C(=O)c1ccccc1Nc1cc(C)cc(C(=O)[O-])c1 ZINC001211550045 1026703444 /nfs/dbraw/zinc/70/34/44/1026703444.db2.gz UOCANYYDIUVIKO-UHFFFAOYSA-N -1 0 326.396 3.919 20 0 EHADRM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2ccoc2CC(=O)[O-])cc1 ZINC000909583651 1026721220 /nfs/dbraw/zinc/72/12/20/1026721220.db2.gz IQIQQGQBLGYXRN-IFXJQAMLSA-N -1 0 341.407 3.829 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])s1)c1cccc(C(F)(F)F)c1 ZINC000237524472 1026759002 /nfs/dbraw/zinc/75/90/02/1026759002.db2.gz WUIAIUHULZFCDJ-MRVPVSSYSA-N -1 0 343.326 3.956 20 0 EHADRM CC[C@H](NC(=O)N([C@@H](C)C(=O)[O-])C1CCC1)c1ccc(Cl)cc1 ZINC000582642881 1026848430 /nfs/dbraw/zinc/84/84/30/1026848430.db2.gz HMSJJPCKTZMVAR-NHYWBVRUSA-N -1 0 338.835 3.828 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc2cccc(Cl)c2s1 ZINC000564979819 1027029364 /nfs/dbraw/zinc/02/93/64/1027029364.db2.gz WLOFKSBCNUHPLE-KOLCDFICSA-N -1 0 337.828 3.880 20 0 EHADRM O=C(c1ccc(F)cc1[O-])N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000123389652 1027200635 /nfs/dbraw/zinc/20/06/35/1027200635.db2.gz ZYNPBGFMHQTQRD-GFCCVEGCSA-N -1 0 340.354 3.692 20 0 EHADRM CC(C)c1n[n-]c(=NCc2cnc(-c3c(F)cccc3F)s2)o1 ZINC000453043861 1027253870 /nfs/dbraw/zinc/25/38/70/1027253870.db2.gz DSMFQSCFTOXCOT-UHFFFAOYSA-N -1 0 336.367 3.629 20 0 EHADRM Cc1cc(C(=O)N=c2nc(Sc3ccccc3)[n-]s2)oc1C ZINC000531754174 1027279113 /nfs/dbraw/zinc/27/91/13/1027279113.db2.gz KHOLNUKTZURGCQ-UHFFFAOYSA-N -1 0 331.422 3.573 20 0 EHADRM COCCc1nsc([N-]c2cnn(-c3ccccc3)c2C(C)C)n1 ZINC000302801455 1027301009 /nfs/dbraw/zinc/30/10/09/1027301009.db2.gz CLYBQBUVQNJDHE-UHFFFAOYSA-N -1 0 343.456 3.780 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NCc1ccc(Oc2cnccn2)cc1 ZINC000582740309 1027414643 /nfs/dbraw/zinc/41/46/43/1027414643.db2.gz OIRLNMFFHAENGQ-UHFFFAOYSA-N -1 0 335.363 3.888 20 0 EHADRM CCOc1cc(C(=O)NC[C@@H](SC)C(C)(C)C)cc(Cl)c1O ZINC000545881564 1027460717 /nfs/dbraw/zinc/46/07/17/1027460717.db2.gz IXCDXSCVDDIIGL-CYBMUJFWSA-N -1 0 345.892 3.952 20 0 EHADRM Cc1ccc([C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)c2ccccc2)cc1 ZINC000414450606 1027467934 /nfs/dbraw/zinc/46/79/34/1027467934.db2.gz YCDBKGLOQBLANJ-QYZOEREBSA-N -1 0 337.419 3.702 20 0 EHADRM CCCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cnc(C)n1C ZINC000629350227 1027506845 /nfs/dbraw/zinc/50/68/45/1027506845.db2.gz KBQRIGKCATYEHJ-UHFFFAOYSA-N -1 0 335.473 3.605 20 0 EHADRM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c1 ZINC000614772159 1027629760 /nfs/dbraw/zinc/62/97/60/1027629760.db2.gz KGUYNUTWOFXSFZ-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM COc1ccc([C@@H](CCO)N=c2nc(C3CCCCC3)[n-]s2)cc1 ZINC000420602101 1027638638 /nfs/dbraw/zinc/63/86/38/1027638638.db2.gz OGBZDEVFKSOGIH-MRXNPFEDSA-N -1 0 347.484 3.552 20 0 EHADRM O=C([O-])CCCCCNC(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000414642187 1027642923 /nfs/dbraw/zinc/64/29/23/1027642923.db2.gz LVERUUIWGBLGCC-KRWDZBQOSA-N -1 0 348.418 3.706 20 0 EHADRM O=C([O-])C1CCC(CC(=O)Nc2ccc(OC(F)F)cc2)CC1 ZINC000582789291 1027706742 /nfs/dbraw/zinc/70/67/42/1027706742.db2.gz ZVWZDMOXBHDTEF-UHFFFAOYSA-N -1 0 327.327 3.508 20 0 EHADRM COCC[C@H](N=c1[n-]c(-c2cccc(Cl)c2)no1)c1ccco1 ZINC000503300962 1027713879 /nfs/dbraw/zinc/71/38/79/1027713879.db2.gz UEUMURNHFVMWJW-ZDUSSCGKSA-N -1 0 333.775 3.595 20 0 EHADRM CN(CC(=O)[O-])c1ccc(-c2nc(-c3cccc4occc43)no2)cc1 ZINC001211942999 1027781242 /nfs/dbraw/zinc/78/12/42/1027781242.db2.gz YNCPOKQTDFXTFA-UHFFFAOYSA-N -1 0 349.346 3.671 20 0 EHADRM C[C@@H](CC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)C1CCCCC1 ZINC000262187078 1027790552 /nfs/dbraw/zinc/79/05/52/1027790552.db2.gz QRCCCMIMNKHKIL-KBXCAEBGSA-N -1 0 329.440 3.804 20 0 EHADRM C[C@@H](NC(=O)N=c1cc2ccccn2[nH]1)c1cccc2ccccc21 ZINC000548772781 1027806603 /nfs/dbraw/zinc/80/66/03/1027806603.db2.gz RMCBZJNNCGKVED-CQSZACIVSA-N -1 0 330.391 3.792 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccccc2OC2CCCCC2)C1 ZINC000422596973 1027818575 /nfs/dbraw/zinc/81/85/75/1027818575.db2.gz TYZTXBFCDRVFIL-CABCVRRESA-N -1 0 345.439 3.581 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC[C@H]1C(=O)[O-] ZINC000313743578 1027832401 /nfs/dbraw/zinc/83/24/01/1027832401.db2.gz CRBRAORFKBZPBW-PRHODGIISA-N -1 0 331.199 3.568 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2CCCC[C@@H]2Cc2ccccc2)s1 ZINC000503510322 1027834344 /nfs/dbraw/zinc/83/43/44/1027834344.db2.gz MSJQIPHHFRXKLZ-OAHLLOKOSA-N -1 0 344.484 3.542 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)NCCCCCCC(=O)[O-])cc1 ZINC000320677716 1027838247 /nfs/dbraw/zinc/83/82/47/1027838247.db2.gz OEOVWSBDOBPMLB-AWEZNQCLSA-N -1 0 341.473 3.514 20 0 EHADRM Cc1cccc(C2(C(=O)N3CCC[C@@H](CC(=O)[O-])C3)CCCCC2)c1 ZINC000532676456 1027839811 /nfs/dbraw/zinc/83/98/11/1027839811.db2.gz LVZQFRNLZUNTDY-KRWDZBQOSA-N -1 0 343.467 3.910 20 0 EHADRM O=C(N=c1cc(-c2ccc(Cl)s2)[nH][nH]1)[C@@H]1CCCC(F)(F)C1 ZINC000503543825 1027864070 /nfs/dbraw/zinc/86/40/70/1027864070.db2.gz TXUXGMUJBLBXER-MRVPVSSYSA-N -1 0 345.802 3.978 20 0 EHADRM CCC[C@@]1(CO)CCCN1C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000444550686 1028023254 /nfs/dbraw/zinc/02/32/54/1028023254.db2.gz QYGIBZAFJAWPOM-IBGZPJMESA-N -1 0 347.842 3.966 20 0 EHADRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000614839194 1028143200 /nfs/dbraw/zinc/14/32/00/1028143200.db2.gz NCJWMRVXLBKZED-UHFFFAOYSA-N -1 0 347.770 3.818 20 0 EHADRM CC(C)C[C@@H]1C[C@@H](N=c2[n-]nc(Cc3ccc(F)cc3)s2)CCO1 ZINC000544393042 1028152634 /nfs/dbraw/zinc/15/26/34/1028152634.db2.gz PMEIOBKAULKTHU-JKSUJKDBSA-N -1 0 349.475 3.696 20 0 EHADRM Cc1noc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000523321335 1028160374 /nfs/dbraw/zinc/16/03/74/1028160374.db2.gz WHKXIMPPDQCGFO-UHFFFAOYSA-N -1 0 340.404 3.663 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2cc(-c3ccncc3)c[nH]c2=O)c1 ZINC001211960771 1028190272 /nfs/dbraw/zinc/19/02/72/1028190272.db2.gz LYKWLRLJTONAAG-UHFFFAOYSA-N -1 0 341.754 3.944 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2cnc3cc(C4CC4)nn3c2)c1 ZINC001211962396 1028214278 /nfs/dbraw/zinc/21/42/78/1028214278.db2.gz BONYLRXRGOHVBX-UHFFFAOYSA-N -1 0 328.759 3.702 20 0 EHADRM COC(=O)c1cc(Nc2cc(Cl)cc(C(=O)[O-])c2)c(F)cc1F ZINC001211965337 1028272008 /nfs/dbraw/zinc/27/20/08/1028272008.db2.gz ZRXAGNANKVJAFJ-UHFFFAOYSA-N -1 0 341.697 3.847 20 0 EHADRM CC(C)[C@H]1CCCN(C(=O)N=c2[n-]nc(-c3ccsc3)s2)C1 ZINC000444826437 1028309984 /nfs/dbraw/zinc/30/99/84/1028309984.db2.gz MQGAVFBSVXJELW-NSHDSACASA-N -1 0 336.486 3.588 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1)c1c[nH]c2ncccc12 ZINC000057115588 1028353261 /nfs/dbraw/zinc/35/32/61/1028353261.db2.gz FGASCVRABKSIGM-UHFFFAOYSA-N -1 0 342.207 3.671 20 0 EHADRM CN1Cc2cc(Nc3cc(Cl)cc(C(=O)[O-])c3)ccc2NC1=O ZINC001211969447 1028436627 /nfs/dbraw/zinc/43/66/27/1028436627.db2.gz JTSZLPBLERQTCK-UHFFFAOYSA-N -1 0 331.759 3.759 20 0 EHADRM Cc1cscc1NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000583004111 1028522445 /nfs/dbraw/zinc/52/24/45/1028522445.db2.gz KPCMUKPIUWXLSY-UHFFFAOYSA-N -1 0 333.800 3.854 20 0 EHADRM COc1cc(/C=C/c2cc(C=O)c(C)s2)ccc1OCC(=O)[O-] ZINC000760266341 1028534651 /nfs/dbraw/zinc/53/46/51/1028534651.db2.gz SYBUSBTXEFMYCV-HWKANZROSA-N -1 0 332.377 3.511 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)c1cccc(OC2CCCCC2)c1 ZINC000236757192 1028578620 /nfs/dbraw/zinc/57/86/20/1028578620.db2.gz MRDABBIHEBZDSR-UHFFFAOYSA-N -1 0 347.455 3.971 20 0 EHADRM CC(C)C[C@@H](C)CC(=O)Nc1ccccc1-n1ccc(C(=O)[O-])n1 ZINC000236741891 1028579030 /nfs/dbraw/zinc/57/90/30/1028579030.db2.gz ANOGOYOMZDHKRH-CYBMUJFWSA-N -1 0 329.400 3.581 20 0 EHADRM CCC[C@](C)(NC(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)[O-] ZINC000236803526 1028591332 /nfs/dbraw/zinc/59/13/32/1028591332.db2.gz SUCIICHJUASBGX-IBGZPJMESA-N -1 0 347.386 3.778 20 0 EHADRM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)[nH]n2)cc1 ZINC000322119214 1028617793 /nfs/dbraw/zinc/61/77/93/1028617793.db2.gz LGOXJTGJSWFILR-UHFFFAOYSA-N -1 0 335.473 3.707 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)[C@H](C)Sc1ccccc1 ZINC000237546806 1028654615 /nfs/dbraw/zinc/65/46/15/1028654615.db2.gz PLBUSGWXSYVJGI-WMLDXEAASA-N -1 0 343.448 3.808 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)NCC1(C(F)(F)F)CCC1)C1CCCCC1 ZINC000504495634 1028690146 /nfs/dbraw/zinc/69/01/46/1028690146.db2.gz FUOOKHRLDBJAQQ-OAHLLOKOSA-N -1 0 349.393 3.897 20 0 EHADRM O=c1nc(Cc2cc(F)cc(Br)c2)[n-]c2ccsc21 ZINC000504503156 1028694040 /nfs/dbraw/zinc/69/40/40/1028694040.db2.gz PFTYRFADNRYSIL-UHFFFAOYSA-N -1 0 339.189 3.889 20 0 EHADRM CCCN=c1[n-]nc(SCc2ccc(-c3ccccn3)nc2)s1 ZINC000424088916 1028794728 /nfs/dbraw/zinc/79/47/28/1028794728.db2.gz KDKVWGWGICQSIL-UHFFFAOYSA-N -1 0 343.481 3.531 20 0 EHADRM COc1ccc2sc(C(=O)N3CCC[C@@H](C)[C@@H]3C(=O)[O-])c(C)c2c1 ZINC000424256137 1028912348 /nfs/dbraw/zinc/91/23/48/1028912348.db2.gz MFYOYPOTLSQBJP-MEBBXXQBSA-N -1 0 347.436 3.544 20 0 EHADRM CC[C@H]1CCCC[C@H]1NC(=O)N=c1[n-]nc(-c2ccsc2)s1 ZINC000503025161 1028983557 /nfs/dbraw/zinc/98/35/57/1028983557.db2.gz PQIMGZGCRBNFLK-CMPLNLGQSA-N -1 0 336.486 3.779 20 0 EHADRM CCOc1cc(-c2nc(C3([NH3+])CCCCC3)no2)cc(Cl)c1O ZINC000424340378 1029016574 /nfs/dbraw/zinc/01/65/74/1029016574.db2.gz GQPXMJLKVGIUEB-UHFFFAOYSA-N -1 0 337.807 3.612 20 0 EHADRM CC(C)(CCNC(=O)N1CCCCC[C@H]1c1ccccc1)C(=O)[O-] ZINC000424394046 1029031403 /nfs/dbraw/zinc/03/14/03/1029031403.db2.gz CDGQMPBEELGOPG-INIZCTEOSA-N -1 0 332.444 3.814 20 0 EHADRM Cc1ccc(-c2ncc(C[N@H+]3CCC[C@H](C)[C@@H]3C(=O)[O-])s2)cc1 ZINC000424424744 1029046707 /nfs/dbraw/zinc/04/67/07/1029046707.db2.gz XAZWELWDJLTNDV-XJKSGUPXSA-N -1 0 330.453 3.804 20 0 EHADRM CC(C)(CCNC(=O)N1CC2(CCCC2)c2ccccc21)C(=O)[O-] ZINC000424405359 1029051906 /nfs/dbraw/zinc/05/19/06/1029051906.db2.gz OHGRKSSXCGVJMM-UHFFFAOYSA-N -1 0 330.428 3.529 20 0 EHADRM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)NCCC(C)(C)C(=O)[O-])cc1 ZINC000424409795 1029055841 /nfs/dbraw/zinc/05/58/41/1029055841.db2.gz XYGJPAFMYYRCAE-SJORKVTESA-N -1 0 346.471 3.773 20 0 EHADRM Cc1ccc(-c2[n-][nH]c(=NC(=O)c3sc(C(C)C)nc3C)c2C)o1 ZINC000532916337 1029064005 /nfs/dbraw/zinc/06/40/05/1029064005.db2.gz DBJOQZVBNUUFKV-UHFFFAOYSA-N -1 0 344.440 3.849 20 0 EHADRM CCCC[C@@H]1CCC[C@@H]1NC(=O)N=c1[n-]nc(SCC)s1 ZINC000524366173 1029102307 /nfs/dbraw/zinc/10/23/07/1029102307.db2.gz RTJQEJPQTGROKE-MNOVXSKESA-N -1 0 328.507 3.552 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccccc2C(F)(F)F)n[nH]c1C(C)C ZINC000647279152 1029175889 /nfs/dbraw/zinc/17/58/89/1029175889.db2.gz SUHKGCNHVWGFPP-UHFFFAOYSA-N -1 0 347.362 3.661 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)NC1(c2ccc(Cl)cc2)CCC1 ZINC000634869700 1029184886 /nfs/dbraw/zinc/18/48/86/1029184886.db2.gz QICDTBYKKCDCNE-HUUCEWRRSA-N -1 0 333.815 3.502 20 0 EHADRM COc1cccc([C@H](C)CC(=O)NCCCCCCCC(=O)[O-])c1 ZINC000271943583 1029240142 /nfs/dbraw/zinc/24/01/42/1029240142.db2.gz HAWQIOHWWWMFEU-OAHLLOKOSA-N -1 0 335.444 3.730 20 0 EHADRM CC[C@@H](Oc1ccccc1F)C(=O)NCCCCCCCC(=O)[O-] ZINC000271970518 1029254176 /nfs/dbraw/zinc/25/41/76/1029254176.db2.gz QVLHINBTEWLDNH-OAHLLOKOSA-N -1 0 339.407 3.525 20 0 EHADRM Cn1cc(CCC(=O)NCCCCCCCC(=O)[O-])c2ccccc21 ZINC000271978097 1029256235 /nfs/dbraw/zinc/25/62/35/1029256235.db2.gz UQHFGJRUFRMWCV-UHFFFAOYSA-N -1 0 344.455 3.652 20 0 EHADRM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000524548753 1029294190 /nfs/dbraw/zinc/29/41/90/1029294190.db2.gz WNJOCOKIBFDSTJ-UHFFFAOYSA-N -1 0 327.837 3.535 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)/C=C/c1ccc(Cl)s1)CC2 ZINC000321929706 1029352303 /nfs/dbraw/zinc/35/23/03/1029352303.db2.gz SCRJANPHDJNQLG-GQCTYLIASA-N -1 0 347.823 3.698 20 0 EHADRM Cc1c(Cl)cccc1N=c1[n-]nc(SCCC[C@H](C)O)s1 ZINC000475998275 1029408682 /nfs/dbraw/zinc/40/86/82/1029408682.db2.gz XXPUHXBVUSGNFP-VIFPVBQESA-N -1 0 343.905 3.919 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)C1 ZINC000533189622 1029454089 /nfs/dbraw/zinc/45/40/89/1029454089.db2.gz LIKJJMCXWJNAQB-LBPRGKRZSA-N -1 0 347.411 3.881 20 0 EHADRM CCc1oc(C(=O)NCC2(c3cccc(Cl)c3)CC2)cc1C(=O)[O-] ZINC000261676704 1029480090 /nfs/dbraw/zinc/48/00/90/1029480090.db2.gz PWPBFVGFRCCIJM-UHFFFAOYSA-N -1 0 347.798 3.655 20 0 EHADRM Cc1ccc(C)c(C(=O)N2CCc3[nH]c4ccccc4c3C2)c1C(=O)[O-] ZINC000634902681 1029547993 /nfs/dbraw/zinc/54/79/93/1029547993.db2.gz RDCRBXUJFRKSKY-UHFFFAOYSA-N -1 0 348.402 3.681 20 0 EHADRM CCc1ccc(C(=O)CCC(=O)Nc2cc(C(C)=O)ccc2[O-])cc1 ZINC000272730497 1029584086 /nfs/dbraw/zinc/58/40/86/1029584086.db2.gz ZNNXOXHAIZSODG-UHFFFAOYSA-N -1 0 339.391 3.759 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)Nc1cccc(F)c1 ZINC000583300130 1029600198 /nfs/dbraw/zinc/60/01/98/1029600198.db2.gz IPYPQKXPFHNMRK-CZUORRHYSA-N -1 0 334.391 3.713 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)[C@@H]2CSc3ccccc32)cc1 ZINC000320715253 1029624008 /nfs/dbraw/zinc/62/40/08/1029624008.db2.gz BQFODJSAXYOWJN-YYRKOSNBSA-N -1 0 325.389 3.612 20 0 EHADRM Cc1cc2occ(CC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)c2cc1C(C)C ZINC000262726659 1029628272 /nfs/dbraw/zinc/62/82/72/1029628272.db2.gz SUAWTAJLGUNQCQ-HIFRSBDPSA-N -1 0 343.423 3.777 20 0 EHADRM Cc1cc2occ(CC(=O)N[C@@](C)(CC(=O)[O-])C(C)C)c2cc1C ZINC000262882411 1029648303 /nfs/dbraw/zinc/64/83/03/1029648303.db2.gz GXDHJZASRVTVSL-IBGZPJMESA-N -1 0 331.412 3.598 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C1 ZINC000262920654 1029650541 /nfs/dbraw/zinc/65/05/41/1029650541.db2.gz NZJIRKCTVXVTPX-LJQANCHMSA-N -1 0 345.370 3.659 20 0 EHADRM CCC[C@H](CNC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000263087773 1029664908 /nfs/dbraw/zinc/66/49/08/1029664908.db2.gz DKKCZVORMYQBIX-GOSISDBHSA-N -1 0 325.408 3.513 20 0 EHADRM CC(C)(CCC(=O)NCc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000263095462 1029666176 /nfs/dbraw/zinc/66/61/76/1029666176.db2.gz CJUDITPWLMDVRE-UHFFFAOYSA-N -1 0 331.437 3.821 20 0 EHADRM Cc1ccc(Oc2ccccc2)c(NC(=O)N(C)C[C@H](C)C(=O)[O-])c1 ZINC000263112901 1029667343 /nfs/dbraw/zinc/66/73/43/1029667343.db2.gz VWLWSYSYBNALEY-AWEZNQCLSA-N -1 0 342.395 3.972 20 0 EHADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)Nc1cccc3ccsc31)C2 ZINC000263108623 1029667586 /nfs/dbraw/zinc/66/75/86/1029667586.db2.gz VKLOIRXGOSKHCP-YVEFUNNKSA-N -1 0 330.409 3.620 20 0 EHADRM CCC[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000263188753 1029671677 /nfs/dbraw/zinc/67/16/77/1029671677.db2.gz MIEJSDFXKVKDEO-JIMOISOXSA-N -1 0 344.238 3.714 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000263209496 1029674011 /nfs/dbraw/zinc/67/40/11/1029674011.db2.gz NIGHYRAISIOPNS-CMPLNLGQSA-N -1 0 344.238 3.638 20 0 EHADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1cc(-c2ccccc2)ccc1Cl ZINC000263212338 1029674539 /nfs/dbraw/zinc/67/45/39/1029674539.db2.gz PBOHLBSIBPRTGT-SWLSCSKDSA-N -1 0 343.810 3.942 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])s1 ZINC000263225227 1029675758 /nfs/dbraw/zinc/67/57/58/1029675758.db2.gz PWUQLRIGCFUCDM-CYBMUJFWSA-N -1 0 331.437 3.722 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@@H](c2ccccc2)C2CC2)cc1F ZINC000263243433 1029678244 /nfs/dbraw/zinc/67/82/44/1029678244.db2.gz RVXZILTUYZKPAW-SFHVURJKSA-N -1 0 327.355 3.585 20 0 EHADRM C/C=C/C[C@@H](NC(=O)C(C)(C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000263237661 1029678743 /nfs/dbraw/zinc/67/87/43/1029678743.db2.gz DGRIXDRRPQJIDE-MUBLQREKSA-N -1 0 343.345 3.519 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)[C@H](C)Cc2ccc(C)cc2)sc1C(=O)[O-] ZINC000263252271 1029679888 /nfs/dbraw/zinc/67/98/88/1029679888.db2.gz HMFIFMKRYYSKIV-DGCLKSJQSA-N -1 0 346.452 3.514 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2ccc3cc(Br)ccc3n2)C1 ZINC000263287159 1029683790 /nfs/dbraw/zinc/68/37/90/1029683790.db2.gz YFICTLZPQRAZNU-PWSUYJOCSA-N -1 0 349.228 3.544 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000263295802 1029684713 /nfs/dbraw/zinc/68/47/13/1029684713.db2.gz MZARZDUVLXZIIQ-JLLWLGSASA-N -1 0 344.238 3.542 20 0 EHADRM CCC[C@H](C)N(C)C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000525104214 1029686858 /nfs/dbraw/zinc/68/68/58/1029686858.db2.gz RDZYAHZCWHHIQD-AWEZNQCLSA-N -1 0 329.444 3.962 20 0 EHADRM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CC1CC(c2ccccc2)C1 ZINC000263321974 1029687464 /nfs/dbraw/zinc/68/74/64/1029687464.db2.gz JEAXKMGYLPMQAT-RGKRWLCDSA-N -1 0 349.430 3.608 20 0 EHADRM Cc1cc(NC(=O)Cc2ccc(C(=O)[O-])cc2)ccc1OC(C)C ZINC000263320386 1029687958 /nfs/dbraw/zinc/68/79/58/1029687958.db2.gz ITJJYFJSGVFYMM-UHFFFAOYSA-N -1 0 327.380 3.662 20 0 EHADRM CCc1c(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)cnn1CC(C)C ZINC000263333889 1029688845 /nfs/dbraw/zinc/68/88/45/1029688845.db2.gz QKVSBBKZWCHHJU-CYBMUJFWSA-N -1 0 343.427 3.542 20 0 EHADRM CC(C)Oc1ccc([C@@H](C)NC(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000263356986 1029690700 /nfs/dbraw/zinc/69/07/00/1029690700.db2.gz SAJTVXJDTZLNLS-CQSZACIVSA-N -1 0 341.407 3.592 20 0 EHADRM Cc1ccc(SC2(C(=O)N[C@H](C)[C@@H](C)C(=O)[O-])CCCC2)cc1 ZINC000263442234 1029699216 /nfs/dbraw/zinc/69/92/16/1029699216.db2.gz MNNMJYNQZMRCER-ZIAGYGMSSA-N -1 0 335.469 3.625 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)N(C)[C@@H]2CC[C@H](C)C2)s[n-]1 ZINC000583358499 1029699453 /nfs/dbraw/zinc/69/94/53/1029699453.db2.gz RSXADBYSDYIOPN-GXSJLCMTSA-N -1 0 336.486 3.649 20 0 EHADRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1cccc(C)c1F ZINC000446619525 1029727604 /nfs/dbraw/zinc/72/76/04/1029727604.db2.gz GSILJVYRZMHEOV-UHFFFAOYSA-N -1 0 341.429 3.665 20 0 EHADRM CCN(Cc1c[nH]c2ccccc12)C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000583383522 1029745000 /nfs/dbraw/zinc/74/50/00/1029745000.db2.gz INHILGQLRGYZGI-UHFFFAOYSA-N -1 0 342.439 3.798 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N(Cc2ccccc2)C(C)C)s1 ZINC000508700182 1029745489 /nfs/dbraw/zinc/74/54/89/1029745489.db2.gz SFMNKZJIDGYRPU-UHFFFAOYSA-N -1 0 332.473 3.745 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N2CC[C@@H](CC)C2)s1)c1ccccc1 ZINC000446844416 1029825527 /nfs/dbraw/zinc/82/55/27/1029825527.db2.gz GYRZKNDKIIVUJP-UKRRQHHQSA-N -1 0 344.484 3.766 20 0 EHADRM CC[C@H](c1n[n-]c(=NC(=O)N2CC[C@@H](CC)C2)s1)c1ccccc1 ZINC000446844415 1029825541 /nfs/dbraw/zinc/82/55/41/1029825541.db2.gz GYRZKNDKIIVUJP-HIFRSBDPSA-N -1 0 344.484 3.766 20 0 EHADRM C[C@@H]1C[C@H](C)N(C(=O)N=c2[n-]nc(C(C)(C)c3ccccc3)s2)C1 ZINC000525410512 1029840035 /nfs/dbraw/zinc/84/00/35/1029840035.db2.gz FNMVKQPMHLOGED-OLZOCXBDSA-N -1 0 344.484 3.548 20 0 EHADRM Fc1cc(CN=c2[n-]nc(-c3ccccc3)o2)cc(C(F)(F)F)c1 ZINC000508576092 1029844480 /nfs/dbraw/zinc/84/44/80/1029844480.db2.gz HSABCWRWGLRIIY-UHFFFAOYSA-N -1 0 337.276 3.929 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)nn2)cc1 ZINC000446955633 1029864074 /nfs/dbraw/zinc/86/40/74/1029864074.db2.gz CWLOCHNVGIFGHK-LBPRGKRZSA-N -1 0 331.441 3.668 20 0 EHADRM CCc1[nH]nc([N-]S(=O)(=O)c2ccccc2)c1-c1cccs1 ZINC000446955991 1029864543 /nfs/dbraw/zinc/86/45/43/1029864543.db2.gz FJBBVYBGAQZXGA-UHFFFAOYSA-N -1 0 333.438 3.501 20 0 EHADRM COc1cc(C)c(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)cc1C ZINC000278276647 1029910281 /nfs/dbraw/zinc/91/02/81/1029910281.db2.gz OPRVGBYAPDFIMP-FQEVSTJZSA-N -1 0 341.407 3.683 20 0 EHADRM COCCN=c1[n-]nc(SCc2ccc(C3CCC3)cc2)s1 ZINC000447118455 1029978387 /nfs/dbraw/zinc/97/83/87/1029978387.db2.gz XJMKNJQRZMHAEL-UHFFFAOYSA-N -1 0 335.498 3.578 20 0 EHADRM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC000481863136 1030054523 /nfs/dbraw/zinc/05/45/23/1030054523.db2.gz FECNKRLQDOKHSA-UHFFFAOYSA-N -1 0 335.473 3.698 20 0 EHADRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(Cl)c1O ZINC000447267495 1030056964 /nfs/dbraw/zinc/05/69/64/1030056964.db2.gz PHQPMLPMBRTCMH-UHFFFAOYSA-N -1 0 348.207 3.508 20 0 EHADRM O=S(=O)([N-]c1ccc(C(F)(F)F)nc1)c1ccccc1Cl ZINC000090166864 1030077555 /nfs/dbraw/zinc/07/75/55/1030077555.db2.gz MUSRWZCKCAVMBY-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccc(OCC(F)F)cc1 ZINC000481962257 1030135688 /nfs/dbraw/zinc/13/56/88/1030135688.db2.gz WIQOJLOEQAFNMS-UHFFFAOYSA-N -1 0 333.381 3.501 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc3ncccc23)c(Cl)c1 ZINC000120965066 1030139720 /nfs/dbraw/zinc/13/97/20/1030139720.db2.gz DQKPTYLXIHYTEE-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)CSc2ccccc2C)s1 ZINC000042316477 1030141030 /nfs/dbraw/zinc/14/10/30/1030141030.db2.gz PNFBYYNSFSKEIZ-UHFFFAOYSA-N -1 0 341.479 3.802 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000245607297 1030163422 /nfs/dbraw/zinc/16/34/22/1030163422.db2.gz ILWIZISPLROUQI-BZUAXINKSA-N -1 0 343.448 3.882 20 0 EHADRM C[C@@H]1CCC[C@H](C)CN1C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000447517314 1030241294 /nfs/dbraw/zinc/24/12/94/1030241294.db2.gz RVPPMQJQQVFJII-QWHCGFSZSA-N -1 0 347.846 3.882 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cccc3c2OCC3(C)C)c1 ZINC000447551984 1030263141 /nfs/dbraw/zinc/26/31/41/1030263141.db2.gz RZBLHHAYTOCAFV-UHFFFAOYSA-N -1 0 325.364 3.517 20 0 EHADRM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)c1 ZINC000121600441 1030306257 /nfs/dbraw/zinc/30/62/57/1030306257.db2.gz KLFRWCJYAGECDR-LLVKDONJSA-N -1 0 341.379 3.781 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCc2c(F)cc(F)cc2C1 ZINC000121897768 1030437792 /nfs/dbraw/zinc/43/77/92/1030437792.db2.gz KFHOPORBNCWCJA-UHFFFAOYSA-N -1 0 341.716 3.661 20 0 EHADRM CCC(CC)n1nc(C(=O)N=c2cc(-c3ccc(C)o3)[n-][nH]2)cc1C ZINC000447800917 1030483688 /nfs/dbraw/zinc/48/36/88/1030483688.db2.gz AFYSLQHZVVDYNB-UHFFFAOYSA-N -1 0 341.415 3.518 20 0 EHADRM CCCC[C@@H](CC)C(=O)Nc1ccccc1-n1ccc(C(=O)[O-])n1 ZINC000447892583 1030572508 /nfs/dbraw/zinc/57/25/08/1030572508.db2.gz IOSGMMDHUHIPOS-CYBMUJFWSA-N -1 0 329.400 3.725 20 0 EHADRM CCn1cc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)cn1 ZINC000122381276 1030603291 /nfs/dbraw/zinc/60/32/91/1030603291.db2.gz ULXRTXUHDXDROY-UHFFFAOYSA-N -1 0 335.816 3.510 20 0 EHADRM COc1ccc(Cl)cc1CNC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000194452213 1030621274 /nfs/dbraw/zinc/62/12/74/1030621274.db2.gz XKJBSFDIJQKJEA-UHFFFAOYSA-N -1 0 344.169 3.777 20 0 EHADRM CCSc1n[n-]c(=NCc2csc(-c3cccs3)n2)s1 ZINC000447964256 1030632106 /nfs/dbraw/zinc/63/21/06/1030632106.db2.gz PZISSGFJMOQYDP-UHFFFAOYSA-N -1 0 340.524 3.869 20 0 EHADRM Cc1ccc(Nc2ccc(F)nc2Br)cc1C(=O)[O-] ZINC001211596224 1030640120 /nfs/dbraw/zinc/64/01/20/1030640120.db2.gz ADJGGFMGHRLHMN-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC000583755123 1030645551 /nfs/dbraw/zinc/64/55/51/1030645551.db2.gz FFBVPVMPSSUPPL-UHFFFAOYSA-N -1 0 344.798 3.549 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(Cc2ccc(Br)cc2Cl)C1 ZINC000122526235 1030657989 /nfs/dbraw/zinc/65/79/89/1030657989.db2.gz NVPNDAZXXORAIC-JTQLQIEISA-N -1 0 346.652 3.789 20 0 EHADRM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000666028981 1030673686 /nfs/dbraw/zinc/67/36/86/1030673686.db2.gz FZUZVYRWZPUYHH-FZMZJTMJSA-N -1 0 349.381 3.507 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)c2ccc3nc(C)ccc3c2)s1 ZINC000448147217 1030751178 /nfs/dbraw/zinc/75/11/78/1030751178.db2.gz LOFQICAEFAMUGJ-UHFFFAOYSA-N -1 0 340.452 3.973 20 0 EHADRM CC1=C(C)CN(C(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])CC1 ZINC000482897617 1030796879 /nfs/dbraw/zinc/79/68/79/1030796879.db2.gz JIBFWQOSZVCHBE-UHFFFAOYSA-N -1 0 339.439 3.884 20 0 EHADRM C[C@@H]1CCCC[C@@H]1OCC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000073086708 1030803343 /nfs/dbraw/zinc/80/33/43/1030803343.db2.gz FKDYGEGLVBCSNP-RISCZKNCSA-N -1 0 345.848 3.581 20 0 EHADRM Cn1c2ccccc2nc1N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000668168663 1030830527 /nfs/dbraw/zinc/83/05/27/1030830527.db2.gz PZYIDSONDLGKIA-UHFFFAOYSA-N -1 0 335.407 3.656 20 0 EHADRM COc1c(Br)cccc1/C=C/c1cc(C(=O)[O-])ccn1 ZINC000550975434 1030848164 /nfs/dbraw/zinc/84/81/64/1030848164.db2.gz CCPPGIDZVBSQLL-AATRIKPKSA-N -1 0 334.169 3.721 20 0 EHADRM CC(C)c1csc([C@@H]2CCCN(c3ccnc(C(=O)[O-])c3)C2)n1 ZINC000650765621 1030979214 /nfs/dbraw/zinc/97/92/14/1030979214.db2.gz YXHYULQCKDDRGM-GFCCVEGCSA-N -1 0 331.441 3.744 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)N1CCC2(C1)CCCCC2 ZINC000448350184 1031000179 /nfs/dbraw/zinc/00/01/79/1031000179.db2.gz DOZQVZKSVMQCPE-UHFFFAOYSA-N -1 0 336.439 3.754 20 0 EHADRM CCSc1cccc(C(=O)N=c2nc(-c3ccccc3)[n-]s2)c1 ZINC000483162268 1031015564 /nfs/dbraw/zinc/01/55/64/1031015564.db2.gz YDALUQUTDNVBPT-UHFFFAOYSA-N -1 0 341.461 3.991 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cn2)c1 ZINC000476914931 1031066344 /nfs/dbraw/zinc/06/63/44/1031066344.db2.gz QVKOOTDXOGKMIX-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM CC(C)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)no1 ZINC000476913603 1031067434 /nfs/dbraw/zinc/06/74/34/1031067434.db2.gz KTJYRANCPHBJOD-UHFFFAOYSA-N -1 0 335.212 3.906 20 0 EHADRM Cc1cc(F)ccc1C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000648442856 1031151989 /nfs/dbraw/zinc/15/19/89/1031151989.db2.gz GJYUTRQWIIVMGJ-UHFFFAOYSA-N -1 0 341.382 3.852 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cncc3ccccc32)c(Cl)c1 ZINC000536177804 1031295894 /nfs/dbraw/zinc/29/58/94/1031295894.db2.gz HGNATZOHKYNLHB-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM COC(=O)c1c[nH]c(S[C@H](C)c2ccc(OC(F)F)cc2)n1 ZINC000278562770 1031385430 /nfs/dbraw/zinc/38/54/30/1031385430.db2.gz CRJGAWAXDFZHQZ-MRVPVSSYSA-N -1 0 328.340 3.651 20 0 EHADRM O=C(CSc1n[n-]c(=S)s1)N1CCC[C@]2(CC=CCC2)C1 ZINC000176315634 1031426266 /nfs/dbraw/zinc/42/62/66/1031426266.db2.gz VJVJWVYCRFRAJZ-CQSZACIVSA-N -1 0 341.527 3.642 20 0 EHADRM Cc1nc(=NC(=O)c2csc(-c3ccc(Cl)cc3)c2)s[n-]1 ZINC000551547181 1031439594 /nfs/dbraw/zinc/43/95/94/1031439594.db2.gz KOIOJECTARWKOI-UHFFFAOYSA-N -1 0 335.841 3.903 20 0 EHADRM O=S(=O)([N-]c1csc2ccccc12)c1c(F)cccc1F ZINC000484061549 1031446554 /nfs/dbraw/zinc/44/65/54/1031446554.db2.gz XRKWQYREFYSRAT-UHFFFAOYSA-N -1 0 325.361 3.980 20 0 EHADRM O=C([O-])C1(CC(=O)N2CCC[C@@H](c3ccc(F)cc3)CC2)CCC1 ZINC000668313986 1031455032 /nfs/dbraw/zinc/45/50/32/1031455032.db2.gz FMJRNUJBPCKOAD-CQSZACIVSA-N -1 0 333.403 3.567 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)C3CCCC3)n2)c1 ZINC000176624601 1031468289 /nfs/dbraw/zinc/46/82/89/1031468289.db2.gz GHCDCKFBQTYETR-UHFFFAOYSA-N -1 0 327.428 3.716 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N(C[C@H]1CCCO1)C1CCCC1 ZINC000194762539 1031490148 /nfs/dbraw/zinc/49/01/48/1031490148.db2.gz UZZSGRSLPUQASN-CYBMUJFWSA-N -1 0 341.810 3.749 20 0 EHADRM Cc1ccccc1-c1nc(=NC[C@]2(C)CCO[C@H]2C2CC2)s[n-]1 ZINC000527962725 1031529269 /nfs/dbraw/zinc/52/92/69/1031529269.db2.gz BOIUEFFAXWEUAN-YJBOKZPZSA-N -1 0 329.469 3.553 20 0 EHADRM CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000484435655 1031571559 /nfs/dbraw/zinc/57/15/59/1031571559.db2.gz RTPHPKUKBMFWME-UHFFFAOYSA-N -1 0 339.436 3.630 20 0 EHADRM CC(C)(C)c1coc(CN[C@@H](CC(=O)[O-])c2cccc(Cl)c2)n1 ZINC000903998100 1031582422 /nfs/dbraw/zinc/58/24/22/1031582422.db2.gz DFZNJDGSISLLLC-ZDUSSCGKSA-N -1 0 336.819 3.931 20 0 EHADRM CC[C@@H](Cc1ccc(NCc2c(C3CCC3)cnn2C)cc1)C(=O)[O-] ZINC000904015854 1031603267 /nfs/dbraw/zinc/60/32/67/1031603267.db2.gz ZLEYKAAGDFZOPX-HNNXBMFYSA-N -1 0 341.455 3.953 20 0 EHADRM CCOc1cncc(CNc2cccc(C(=O)[O-])c2OC(C)C)c1 ZINC000904010771 1031627937 /nfs/dbraw/zinc/62/79/37/1031627937.db2.gz OGXZUGIGSPOFEO-UHFFFAOYSA-N -1 0 330.384 3.578 20 0 EHADRM CC[C@H](NCc1ccc(C(F)(F)F)cc1C)c1nc(C(=O)[O-])c[nH]1 ZINC000904063657 1031689720 /nfs/dbraw/zinc/68/97/20/1031689720.db2.gz BKCKNGNHQKALKZ-LBPRGKRZSA-N -1 0 341.333 3.676 20 0 EHADRM O=C(NCc1ccc2ncccc2c1)c1cc(F)c([O-])c(Cl)c1 ZINC000194910450 1031696197 /nfs/dbraw/zinc/69/61/97/1031696197.db2.gz LSXLJBYPPAAUFY-UHFFFAOYSA-N -1 0 330.746 3.663 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N(C)[C@@H](C)c1cc(C)ccc1C ZINC000455901633 1031711533 /nfs/dbraw/zinc/71/15/33/1031711533.db2.gz TYZXMPINSVWNOF-AWEZNQCLSA-N -1 0 329.396 3.665 20 0 EHADRM O=C([O-])N[C@@H]1C[C@@H](Nc2cccc(OC(F)(F)F)c2)C12CCC2 ZINC000904195967 1031843161 /nfs/dbraw/zinc/84/31/61/1031843161.db2.gz ZCBNAKUKUABTSV-VXGBXAGGSA-N -1 0 330.306 3.576 20 0 EHADRM O=C([O-])N[C@@H]1C[C@@H](Nc2ccc(F)cc2OCC2CC2)C12CCC2 ZINC000904199345 1031846076 /nfs/dbraw/zinc/84/60/76/1031846076.db2.gz PJDDCLJUHOKPFI-HZPDHXFCSA-N -1 0 334.391 3.605 20 0 EHADRM CCc1c(N[C@@H]2C[C@H](NC(=O)[O-])C23CCC3)cnn1C(CC)CC ZINC000904234137 1031883236 /nfs/dbraw/zinc/88/32/36/1031883236.db2.gz DYJYMKZAGKCTFP-CVEARBPZSA-N -1 0 334.464 3.797 20 0 EHADRM Cc1cc(F)c(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)cc1F ZINC000484689687 1031884444 /nfs/dbraw/zinc/88/44/44/1031884444.db2.gz MRUSDYOLTXBCMM-UHFFFAOYSA-N -1 0 349.358 3.933 20 0 EHADRM CCC(CC)(NC(=O)Nc1ccc2oc(C(C)C)nc2c1)C(=O)[O-] ZINC000584210358 1031946316 /nfs/dbraw/zinc/94/63/16/1031946316.db2.gz XRXLBDXMRPFAOS-UHFFFAOYSA-N -1 0 333.388 3.716 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1Cl ZINC000181198524 1031952318 /nfs/dbraw/zinc/95/23/18/1031952318.db2.gz QAVHYXHJAZZIRG-UHFFFAOYSA-N -1 0 345.754 3.622 20 0 EHADRM C[C@H]1CCN(C(=O)N=c2nc(-c3ccccc3)[n-]s2)CC12CCC2 ZINC000537842631 1031957368 /nfs/dbraw/zinc/95/73/68/1031957368.db2.gz AJIJSKXNWXJXFQ-ZDUSSCGKSA-N -1 0 342.468 3.671 20 0 EHADRM C[C@@H](NC(=O)CC1CCC(C(=O)[O-])CC1)C(C)(C)c1ccccc1 ZINC000584234744 1031991350 /nfs/dbraw/zinc/99/13/50/1031991350.db2.gz RHKDOQKUIOJUKG-QQFBHYJXSA-N -1 0 331.456 3.750 20 0 EHADRM CCc1sc(C(=O)NC[C@@](C)(C(=O)[O-])c2ccc(F)cc2)cc1C ZINC000448990378 1031998459 /nfs/dbraw/zinc/99/84/59/1031998459.db2.gz ILXNABNWVIFNJS-GOSISDBHSA-N -1 0 349.427 3.530 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)Cc1cc(Cl)ccc1Cl ZINC000448987617 1032019221 /nfs/dbraw/zinc/01/92/21/1032019221.db2.gz BUMJNGVXHYJBOM-HNNXBMFYSA-N -1 0 332.227 3.542 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CC[C@H](c2ccccc2)C[C@H]1C ZINC000455868563 1033341731 /nfs/dbraw/zinc/34/17/31/1033341731.db2.gz VVPFVGUYNOHEQI-ZBFHGGJFSA-N -1 0 341.407 3.623 20 0 EHADRM CS[C@H](C)CC(=O)N1CCC([C@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000598662639 1033360920 /nfs/dbraw/zinc/36/09/20/1033360920.db2.gz SLFOUCXTSYTDBZ-RHSMWYFYSA-N -1 0 349.496 3.625 20 0 EHADRM CC(C)Oc1ccccc1CN=c1[n-]nc(Cc2cccc(F)c2)o1 ZINC000537490559 1033376758 /nfs/dbraw/zinc/37/67/58/1033376758.db2.gz MTRAEMPGMPVZJA-UHFFFAOYSA-N -1 0 341.386 3.621 20 0 EHADRM O=C([O-])C1CCC(C(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000171789467 1033428818 /nfs/dbraw/zinc/42/88/18/1033428818.db2.gz VTTGVVNDJAGDBN-UHFFFAOYSA-N -1 0 337.419 3.783 20 0 EHADRM COc1ccc2c(c1)OCC[C@@H]2N=c1nc(-c2ccccc2)[n-]s1 ZINC000608089696 1033486019 /nfs/dbraw/zinc/48/60/19/1033486019.db2.gz JOVIBGYUKIWBFM-HNNXBMFYSA-N -1 0 339.420 3.571 20 0 EHADRM CCc1cc(Sc2n[n-]c(=Nc3cccc(C)c3C)s2)ncn1 ZINC000603370634 1033576908 /nfs/dbraw/zinc/57/69/08/1033576908.db2.gz VKWJHRYLTSGIDN-UHFFFAOYSA-N -1 0 343.481 3.824 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)N[C@H](CC2CC2)c2ccccc2)s1 ZINC000608288974 1033590006 /nfs/dbraw/zinc/59/00/06/1033590006.db2.gz NNHUECKFCYMZEJ-CQSZACIVSA-N -1 0 344.484 3.920 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)N[C@@H](CC2CC2)c2ccccc2)s[n-]1 ZINC000608299095 1033596251 /nfs/dbraw/zinc/59/62/51/1033596251.db2.gz ZYXDVZQLOFDCDT-AWEZNQCLSA-N -1 0 344.484 3.920 20 0 EHADRM CC(C)c1ccsc1C(=O)N[C@@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000455953919 1033597734 /nfs/dbraw/zinc/59/77/34/1033597734.db2.gz SSQSPEIUUMDLOP-XJKSGUPXSA-N -1 0 345.464 3.933 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(Br)c1[O-] ZINC000608366579 1033639513 /nfs/dbraw/zinc/63/95/13/1033639513.db2.gz LNIUFTXDMBVRTI-SUNKGSAMSA-N -1 0 338.245 3.948 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc(Br)c1[O-] ZINC000608366580 1033639685 /nfs/dbraw/zinc/63/96/85/1033639685.db2.gz LNIUFTXDMBVRTI-UHIISALHSA-N -1 0 338.245 3.948 20 0 EHADRM CCc1cccc(NC(=O)N=c2[n-]nc(Cc3ccccc3)s2)c1 ZINC000603559856 1033767747 /nfs/dbraw/zinc/76/77/47/1033767747.db2.gz BOUCDDCDAHZQGY-UHFFFAOYSA-N -1 0 338.436 3.757 20 0 EHADRM Cc1ccc(OCCCC(=O)[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000046927480 1033894511 /nfs/dbraw/zinc/89/45/11/1033894511.db2.gz QKGDRKKMMYZBIO-UHFFFAOYSA-N -1 0 347.436 3.808 20 0 EHADRM O=C(Nc1ccc(N2CCSCC2)cc1)c1ccc([O-])c(Cl)c1 ZINC000174490690 1033958041 /nfs/dbraw/zinc/95/80/41/1033958041.db2.gz ZGINACOMYUKMNB-UHFFFAOYSA-N -1 0 348.855 3.851 20 0 EHADRM CCc1oncc1[N-]S(=O)(=O)c1ccc2oc3ccccc3c2c1 ZINC000548860887 1034054065 /nfs/dbraw/zinc/05/40/65/1034054065.db2.gz VVXHJBBFSFZOLB-UHFFFAOYSA-N -1 0 342.376 3.937 20 0 EHADRM CN(Cc1ccccc1OC(F)(F)F)C(=O)c1c([O-])cccc1F ZINC000119060805 1034077439 /nfs/dbraw/zinc/07/74/39/1034077439.db2.gz KGMDRPRXUSCZMF-UHFFFAOYSA-N -1 0 343.276 3.702 20 0 EHADRM C[C@H](CC1CC1)NC(=O)N=c1nc(SCc2ccccc2)[n-]s1 ZINC000476502775 1034128900 /nfs/dbraw/zinc/12/89/00/1034128900.db2.gz HKGQHOBAHNQHMU-LLVKDONJSA-N -1 0 348.497 3.562 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCC[C@@H](C)C2)cc1 ZINC000080252338 1034249466 /nfs/dbraw/zinc/24/94/66/1034249466.db2.gz TUMAVKINJVHJCF-CHWSQXEVSA-N -1 0 325.430 3.557 20 0 EHADRM COc1cc(CSc2n[n-]c(=Nc3cccc(F)c3)s2)ccn1 ZINC000534243271 1034286899 /nfs/dbraw/zinc/28/68/99/1034286899.db2.gz PTPFMHVFDGPALQ-UHFFFAOYSA-N -1 0 348.428 3.539 20 0 EHADRM CC(C)N(C)c1ccc(NC(=O)c2cc(F)c([O-])c(F)c2)cc1F ZINC000177087792 1034435358 /nfs/dbraw/zinc/43/53/58/1034435358.db2.gz CAAYBSAANNCZRY-UHFFFAOYSA-N -1 0 338.329 3.906 20 0 EHADRM CC1(c2nc(=NC(=O)c3c(Cl)cccc3Cl)s[n-]2)CC1 ZINC000529698134 1034445673 /nfs/dbraw/zinc/44/56/73/1034445673.db2.gz KZSGTVWISBFLGX-UHFFFAOYSA-N -1 0 328.224 3.571 20 0 EHADRM CC1(c2nc(=NC(=O)CC3CCC(C(F)(F)F)CC3)s[n-]2)CC1 ZINC000529699025 1034447006 /nfs/dbraw/zinc/44/70/06/1034447006.db2.gz PZHXLDFZSJHAOR-UHFFFAOYSA-N -1 0 347.406 3.709 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000604707847 1034461439 /nfs/dbraw/zinc/46/14/39/1034461439.db2.gz LMDKOEMLICCNDH-STQMWFEESA-N -1 0 347.340 3.537 20 0 EHADRM Cc1cccc(C2(C(=O)N=c3ccc(C4CC4)n[n-]3)CCCCC2)c1 ZINC000604708935 1034462734 /nfs/dbraw/zinc/46/27/34/1034462734.db2.gz VMKZBVQKKJGSDM-UHFFFAOYSA-N -1 0 335.451 3.925 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000450530621 1034489585 /nfs/dbraw/zinc/48/95/85/1034489585.db2.gz DSKJPZKOPUEPHN-HNAYVOBHSA-N -1 0 337.419 3.722 20 0 EHADRM CCOC(=O)c1csc(=N[C@@H]2CCCc3c(F)cc(F)cc32)[n-]1 ZINC000450548790 1034505038 /nfs/dbraw/zinc/50/50/38/1034505038.db2.gz AAFMFLZEGWLQES-CYBMUJFWSA-N -1 0 338.379 3.509 20 0 EHADRM Cc1cccn2cc(-c3ccc(NC(=O)c4ncccc4[O-])cc3)nc12 ZINC001625881791 1034571902 /nfs/dbraw/zinc/57/19/02/1034571902.db2.gz MWEYWTUITMKCDE-UHFFFAOYSA-N -1 0 344.374 3.663 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)Nc1ccccc1C(F)(F)F)C1CC1 ZINC000548908445 1034583597 /nfs/dbraw/zinc/58/35/97/1034583597.db2.gz OGOUEBITCQUHRN-GFCCVEGCSA-N -1 0 330.306 3.565 20 0 EHADRM CN1CCC[C@H](NC(=O)c2ccc([O-])c(Cl)c2)c2ccccc21 ZINC000456604588 1034591162 /nfs/dbraw/zinc/59/11/62/1034591162.db2.gz XXUOEDBAOLBAKA-HNNXBMFYSA-N -1 0 330.815 3.747 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc3c(s2)CCC3)cc1C ZINC000060498253 1034627183 /nfs/dbraw/zinc/62/71/83/1034627183.db2.gz KLMGADPBJWCCRL-UHFFFAOYSA-N -1 0 335.450 3.547 20 0 EHADRM O=C(Cc1ccc(O)c(F)c1)Nc1cccc(C2CCOCC2)c1 ZINC000529935972 1034767640 /nfs/dbraw/zinc/76/76/40/1034767640.db2.gz YINUJHYLEPUWFL-UHFFFAOYSA-N -1 0 329.371 3.607 20 0 EHADRM CCOC(=O)CCc1c(C)[n-]n([C@H](C)c2ccc(Cl)cc2)c1=O ZINC000601936546 1034813395 /nfs/dbraw/zinc/81/33/95/1034813395.db2.gz UGNZDZPZFVEDIT-DOMZBBRYSA-N -1 0 336.819 3.579 20 0 EHADRM CCc1nc(=N[C@H](CCOC)c2cccc(C(F)(F)F)c2)s[n-]1 ZINC000450808678 1034819227 /nfs/dbraw/zinc/81/92/27/1034819227.db2.gz VAQZJTDYGFGMPR-GFCCVEGCSA-N -1 0 345.390 3.731 20 0 EHADRM Cc1csc(S(=O)(=O)[N-]c2ccnn2[C@H](C)CC(C)C)c1 ZINC000450969468 1034997117 /nfs/dbraw/zinc/99/71/17/1034997117.db2.gz MCTTXLUXLYASGQ-GFCCVEGCSA-N -1 0 327.475 3.661 20 0 EHADRM CCCCCOc1ccc(S(=O)(=O)[N-]c2ncsc2C)cc1 ZINC000530140986 1034999697 /nfs/dbraw/zinc/99/96/97/1034999697.db2.gz UNUHSGWAYMESBY-UHFFFAOYSA-N -1 0 340.470 3.821 20 0 EHADRM CC(C)OCc1ccc([N-]S(=O)(=O)c2sccc2F)cc1 ZINC000450990254 1035002557 /nfs/dbraw/zinc/00/25/57/1035002557.db2.gz GYHOMSUTVGRDMQ-UHFFFAOYSA-N -1 0 329.418 3.613 20 0 EHADRM CCSCc1ccnc([N-]S(=O)(=O)c2cc(C)cs2)c1 ZINC000450992504 1035004288 /nfs/dbraw/zinc/00/42/88/1035004288.db2.gz ZBHRUFNMRKOIEW-UHFFFAOYSA-N -1 0 328.484 3.505 20 0 EHADRM CC(C)CCc1nc(CN2CCc3occc3[C@@H]2C(=O)[O-])cs1 ZINC000530166883 1035014358 /nfs/dbraw/zinc/01/43/58/1035014358.db2.gz SIHSZVAUMYTVMK-MRXNPFEDSA-N -1 0 334.441 3.509 20 0 EHADRM Cc1nc(CCCC(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)cs1 ZINC000431667639 1035162239 /nfs/dbraw/zinc/16/22/39/1035162239.db2.gz PJVGFTGDFURYKV-UHFFFAOYSA-N -1 0 332.425 3.728 20 0 EHADRM CC(C)c1ccccc1NC(=S)N[N-]C(=O)c1ccc(Cl)o1 ZINC000066122838 1035243834 /nfs/dbraw/zinc/24/38/34/1035243834.db2.gz VPSHNHBEDJVALH-UHFFFAOYSA-N -1 0 337.832 3.688 20 0 EHADRM O=C(c1s[n-]c(=O)c1Cl)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000376157682 1035350916 /nfs/dbraw/zinc/35/09/16/1035350916.db2.gz LYESDOCMUUKKDZ-VIFPVBQESA-N -1 0 329.208 3.743 20 0 EHADRM O=C(Cc1cc(C2CC2)no1)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000613182794 1035440698 /nfs/dbraw/zinc/44/06/98/1035440698.db2.gz NZMVLSKLMGDCMX-UHFFFAOYSA-N -1 0 327.167 3.746 20 0 EHADRM CN(C(=O)NCc1ccc(C(F)F)cc1)C1(C(=O)[O-])CCCCC1 ZINC000580042459 1035443937 /nfs/dbraw/zinc/44/39/37/1035443937.db2.gz WVFRUGBFWULFOQ-UHFFFAOYSA-N -1 0 340.370 3.553 20 0 EHADRM CC/C=C\CNC(=O)C[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000414081450 1035459890 /nfs/dbraw/zinc/45/98/90/1035459890.db2.gz BKEAOAAKELSMKY-YIEVGGLXSA-N -1 0 344.238 3.808 20 0 EHADRM CC(F)(F)CCCNC(=O)C[C@](C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000414088200 1035474052 /nfs/dbraw/zinc/47/40/52/1035474052.db2.gz JDCOYKCHUVCZJD-HNNXBMFYSA-N -1 0 347.789 3.624 20 0 EHADRM FC(F)(F)c1nc(=N[C@@H](c2nccs2)c2ccccc2)s[n-]1 ZINC000376230501 1035476799 /nfs/dbraw/zinc/47/67/99/1035476799.db2.gz PFOMPNVERGZHDS-SECBINFHSA-N -1 0 342.371 3.637 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000431784079 1035481402 /nfs/dbraw/zinc/48/14/02/1035481402.db2.gz JRDZJOBXUUOHHD-GFCCVEGCSA-N -1 0 331.799 3.784 20 0 EHADRM Cc1c2ccccc2nc(N2CCC3(CCOCC3)[C@H]2C)c1C(=O)[O-] ZINC000571565320 1035558344 /nfs/dbraw/zinc/55/83/44/1035558344.db2.gz GYCQRQIVJGYRPE-CQSZACIVSA-N -1 0 340.423 3.637 20 0 EHADRM c1ccc(-c2cccc(CN=c3[n-]nc(-c4ccncc4)o3)c2)cc1 ZINC000540703294 1035582114 /nfs/dbraw/zinc/58/21/14/1035582114.db2.gz WGMAPIPIPSNHSJ-UHFFFAOYSA-N -1 0 328.375 3.833 20 0 EHADRM C[C@H](CC(=O)N[C@@H](CC(=O)[O-])C1CCCCC1)c1ccccc1F ZINC000540705044 1035585828 /nfs/dbraw/zinc/58/58/28/1035585828.db2.gz WQLDAFDYWHEWJJ-DYVFJYSZSA-N -1 0 335.419 3.859 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)CCSc1ccc(C)c(C)c1 ZINC000540713937 1035620995 /nfs/dbraw/zinc/62/09/95/1035620995.db2.gz QUEDHZCVVRSMJB-UHFFFAOYSA-N -1 0 337.485 3.935 20 0 EHADRM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000540773763 1035668401 /nfs/dbraw/zinc/66/84/01/1035668401.db2.gz CLFRHIGDJUPQAI-UHFFFAOYSA-N -1 0 339.435 3.883 20 0 EHADRM Fc1ccccc1Cc1n[n-]c(=NCc2cc(Cl)ccc2F)o1 ZINC000540792247 1035685598 /nfs/dbraw/zinc/68/55/98/1035685598.db2.gz MNSUYWFWPPKLSS-UHFFFAOYSA-N -1 0 335.741 3.626 20 0 EHADRM Fc1ccc(CN=c2[n-]nc(CCc3ccccc3)o2)c(Cl)c1 ZINC000540793107 1035686217 /nfs/dbraw/zinc/68/62/17/1035686217.db2.gz OTAFKTSMBLGWQQ-UHFFFAOYSA-N -1 0 331.778 3.681 20 0 EHADRM CCc1ccc(C(=O)NCc2ccc(O)c(Br)c2)s1 ZINC000151550178 1035712238 /nfs/dbraw/zinc/71/22/38/1035712238.db2.gz WTNKBTFXSCEYGC-UHFFFAOYSA-N -1 0 340.242 3.709 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)/C=C/SCc1ccco1)C1CCCCC1 ZINC000492389125 1035736015 /nfs/dbraw/zinc/73/60/15/1035736015.db2.gz XIAGPQFMNMWZPW-TUPIDYKKSA-N -1 0 337.441 3.566 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)c(Cl)n1 ZINC000800839015 1035768650 /nfs/dbraw/zinc/76/86/50/1035768650.db2.gz SIYJKYYKKHVBFP-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1cc(F)c([O-])c(Cl)c1 ZINC000187320177 1035792648 /nfs/dbraw/zinc/79/26/48/1035792648.db2.gz OPCMLMBAELTRSB-UHFFFAOYSA-N -1 0 331.734 3.827 20 0 EHADRM CCC(=CC(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)CC ZINC000151510104 1035806369 /nfs/dbraw/zinc/80/63/69/1035806369.db2.gz OPEDYJYPUXXHDG-UHFFFAOYSA-N -1 0 336.240 3.545 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)C1(Cc2cccs2)CCCCC1 ZINC000463856223 1035916767 /nfs/dbraw/zinc/91/67/67/1035916767.db2.gz OBQNLMCYPDCPMS-UHFFFAOYSA-N -1 0 341.480 3.969 20 0 EHADRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccccc1NC1CCCCC1 ZINC000535025374 1035929681 /nfs/dbraw/zinc/92/96/81/1035929681.db2.gz SDTFLOVFZAFSJV-UHFFFAOYSA-N -1 0 349.456 3.837 20 0 EHADRM COc1ccc(CNc2cccc(C(=O)[O-])c2OC(C)C)c(F)c1 ZINC000572124285 1036006735 /nfs/dbraw/zinc/00/67/35/1036006735.db2.gz PFHBWMROONFYPG-UHFFFAOYSA-N -1 0 333.359 3.932 20 0 EHADRM C[C@@H]1CN(C(=O)c2cccc(Br)c2[O-])[C@H]2CCCC[C@@H]12 ZINC000541132381 1036021588 /nfs/dbraw/zinc/02/15/88/1036021588.db2.gz PAEPKUGHBTXBHN-SUNKGSAMSA-N -1 0 338.245 3.805 20 0 EHADRM Cc1c2ccccc2oc1C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000261882704 1036166405 /nfs/dbraw/zinc/16/64/05/1036166405.db2.gz MTBGTJIJAYRXNM-CFVMTHIKSA-N -1 0 327.380 3.599 20 0 EHADRM Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1cccs1 ZINC000541303526 1036174484 /nfs/dbraw/zinc/17/44/84/1036174484.db2.gz AKKORESKZGURCS-UHFFFAOYSA-N -1 0 325.459 3.559 20 0 EHADRM Cc1cnc([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)s1 ZINC000190413408 1036238905 /nfs/dbraw/zinc/23/89/05/1036238905.db2.gz NORDBDAYZIIXLU-UHFFFAOYSA-N -1 0 337.253 3.700 20 0 EHADRM Cc1cc(NC(=O)C2(Cc3ccccc3F)CC2)ccc1C(=O)[O-] ZINC000263138386 1036301773 /nfs/dbraw/zinc/30/17/73/1036301773.db2.gz MIOWIGPGDLNLIU-UHFFFAOYSA-N -1 0 327.355 3.794 20 0 EHADRM COc1cccc(S(=O)(=O)[N-]c2nc3c(cc(C)cc3C)s2)c1 ZINC000589263254 1036326286 /nfs/dbraw/zinc/32/62/86/1036326286.db2.gz JCBYSKUWOZBFOP-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM Cc1ccc2sc(C(=O)N=c3ccc(C(F)(F)F)n[n-]3)cc2c1 ZINC000464329608 1036331072 /nfs/dbraw/zinc/33/10/72/1036331072.db2.gz PFZWCRFCRCUOOL-UHFFFAOYSA-N -1 0 337.326 3.693 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccnn2[C@@H](C)CC(C)C)cc1C ZINC000589271528 1036334302 /nfs/dbraw/zinc/33/43/02/1036334302.db2.gz SZGPHISRLVPEON-HNNXBMFYSA-N -1 0 335.473 3.908 20 0 EHADRM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000319758685 1036356188 /nfs/dbraw/zinc/35/61/88/1036356188.db2.gz ZXSFMNWNTQRFMV-NSHDSACASA-N -1 0 333.771 3.753 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2C[C@H](C)CC(C)(C)C2)n1 ZINC000541511585 1036397359 /nfs/dbraw/zinc/39/73/59/1036397359.db2.gz NPTLHUTWEVGSEL-GFCCVEGCSA-N -1 0 345.418 3.534 20 0 EHADRM C[C@H](CCC(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1)c1ccccc1 ZINC000160923506 1036403977 /nfs/dbraw/zinc/40/39/77/1036403977.db2.gz DCRQZIKSFLMDIJ-HZPDHXFCSA-N -1 0 345.464 3.778 20 0 EHADRM CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000589437610 1036414769 /nfs/dbraw/zinc/41/47/69/1036414769.db2.gz XYUAXBMPFBKSCS-UHFFFAOYSA-N -1 0 327.352 3.553 20 0 EHADRM COc1ccc(/C=C/C(=O)Nc2c(O)cccc2Cl)cc1OC ZINC000492932166 1036416044 /nfs/dbraw/zinc/41/60/44/1036416044.db2.gz SAKPWDPSKNQOIU-VQHVLOKHSA-N -1 0 333.771 3.715 20 0 EHADRM CCc1cccnc1[N-]S(=O)(=O)c1ccc(SC)c(Cl)c1 ZINC000464416992 1036421036 /nfs/dbraw/zinc/42/10/36/1036421036.db2.gz MBFLTJNBTXJDKT-UHFFFAOYSA-N -1 0 342.873 3.820 20 0 EHADRM CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1cccc(OC)c1 ZINC000589431772 1036426584 /nfs/dbraw/zinc/42/65/84/1036426584.db2.gz QPAJYPRPCQHWLX-UHFFFAOYSA-N -1 0 335.425 3.593 20 0 EHADRM C[C@@H](c1ccccc1)n1ccc([N-]S(=O)(=O)CCC(C)(C)C)n1 ZINC000685901480 1036450035 /nfs/dbraw/zinc/45/00/35/1036450035.db2.gz AETGOJSZZQBILT-AWEZNQCLSA-N -1 0 335.473 3.670 20 0 EHADRM O=C(Cc1ccc(Br)cc1)Nc1ccc(Cl)cc1O ZINC000535421260 1036460282 /nfs/dbraw/zinc/46/02/82/1036460282.db2.gz WPJMLDUXAVTIOG-UHFFFAOYSA-N -1 0 340.604 3.989 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000541575147 1036465539 /nfs/dbraw/zinc/46/55/39/1036465539.db2.gz KMCOCWLBXAMIGU-JLSDUUJJSA-N -1 0 347.455 3.730 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)[C@H]1CCCc2cccnc21 ZINC000192770228 1036548891 /nfs/dbraw/zinc/54/88/91/1036548891.db2.gz OUFVFESTIDAWPD-LBPRGKRZSA-N -1 0 325.393 3.570 20 0 EHADRM CCC[C@H](CNC(=O)C1c2ccccc2Oc2ccccc21)C(=O)[O-] ZINC000263209250 1036639846 /nfs/dbraw/zinc/63/98/46/1036639846.db2.gz ORZXQQKLFUPLEZ-CYBMUJFWSA-N -1 0 339.391 3.541 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1O ZINC000541795733 1036654835 /nfs/dbraw/zinc/65/48/35/1036654835.db2.gz IIBJUZOQMJERJW-UHFFFAOYSA-N -1 0 338.237 3.870 20 0 EHADRM Cn1cnc(/C=C(/CCCC(=O)[O-])c2nc3ccccc3s2)c1 ZINC000669818924 1036666352 /nfs/dbraw/zinc/66/63/52/1036666352.db2.gz KZEHDRJRLALIHJ-XFXZXTDPSA-N -1 0 327.409 3.825 20 0 EHADRM Cc1cc(C)c2cc(C(=O)N=c3nc(C(C)(C)C)[n-]s3)sc2n1 ZINC000589936318 1036668292 /nfs/dbraw/zinc/66/82/92/1036668292.db2.gz PULNKJRGVRKUPX-UHFFFAOYSA-N -1 0 346.481 3.736 20 0 EHADRM C[C@H](CCCc1cccnc1)NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000457949923 1036673261 /nfs/dbraw/zinc/67/32/61/1036673261.db2.gz VCZOWYWCFQHBBM-LLVKDONJSA-N -1 0 336.794 3.721 20 0 EHADRM Cc1nc([C@H](C)NC(=O)c2cc(Cl)ccc2C)sc1C(=O)[O-] ZINC000263248781 1036735185 /nfs/dbraw/zinc/73/51/85/1036735185.db2.gz GUDDKZMFQPFJON-VIFPVBQESA-N -1 0 338.816 3.603 20 0 EHADRM Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cn2)s1 ZINC000177085251 1036765144 /nfs/dbraw/zinc/76/51/44/1036765144.db2.gz HATKBORIHZGCKF-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM Cc1cccc([C@H]2CCCCN2C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)c1C ZINC000263325032 1036778383 /nfs/dbraw/zinc/77/83/83/1036778383.db2.gz ONKAROHKVSDLMI-SOLBZPMBSA-N -1 0 329.440 3.858 20 0 EHADRM C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)CCCCC(=O)[O-] ZINC000263340298 1036791138 /nfs/dbraw/zinc/79/11/38/1036791138.db2.gz XHWNIGPCMCKALF-AWEZNQCLSA-N -1 0 335.444 3.513 20 0 EHADRM O=S(=O)([N-]c1ccc2[nH]c(-c3ccco3)nc2c1)c1cccs1 ZINC000022199649 1036810127 /nfs/dbraw/zinc/81/01/27/1036810127.db2.gz RLPYSCWGACYYCY-UHFFFAOYSA-N -1 0 345.405 3.685 20 0 EHADRM CC(C)c1cc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)c2ccccc2n1 ZINC000263383162 1036839707 /nfs/dbraw/zinc/83/97/07/1036839707.db2.gz XPWBCXNRZUHLKW-UONOGXRCSA-N -1 0 340.423 3.541 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)CCc1cc(F)ccc1F ZINC000237647270 1036841933 /nfs/dbraw/zinc/84/19/33/1036841933.db2.gz NQTLEOMQGXRZTH-KRWDZBQOSA-N -1 0 347.361 3.538 20 0 EHADRM COCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)cc1 ZINC000263410627 1036880213 /nfs/dbraw/zinc/88/02/13/1036880213.db2.gz MFRYAXXMCVXLIV-SFHVURJKSA-N -1 0 347.455 3.767 20 0 EHADRM CCCN(C(=O)c1ccc(C(=O)[O-])cc1)[C@H]1CCCc2cccnc21 ZINC000263425037 1036893658 /nfs/dbraw/zinc/89/36/58/1036893658.db2.gz LZTPVQBONXWQKU-KRWDZBQOSA-N -1 0 338.407 3.710 20 0 EHADRM Cc1c2ccccc2oc1C(=O)N[C@@H](CC(=O)[O-])C1CCCCC1 ZINC000539612111 1036977907 /nfs/dbraw/zinc/97/79/07/1036977907.db2.gz BBJHZTHAMPGUNE-HNNXBMFYSA-N -1 0 329.396 3.895 20 0 EHADRM Cc1cc(C(=O)N=c2[n-]nc(CC3CCCCC3)s2)ccc1F ZINC000504584190 1036981127 /nfs/dbraw/zinc/98/11/27/1036981127.db2.gz BDDKFVPWQQMDEL-UHFFFAOYSA-N -1 0 333.432 3.783 20 0 EHADRM Cc1c2ccccc2oc1C(=O)[N-]NC(=O)Nc1ccc(Cl)cc1 ZINC000057573060 1036986539 /nfs/dbraw/zinc/98/65/39/1036986539.db2.gz KMJSEPPLXWROHG-UHFFFAOYSA-N -1 0 343.770 3.861 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)[C@H]1CCCc2sccc21)c1ccc(F)cc1 ZINC000376463611 1037016874 /nfs/dbraw/zinc/01/68/74/1037016874.db2.gz MXVNJNQIUCQTKM-LSDHHAIUSA-N -1 0 347.411 3.639 20 0 EHADRM Cc1nc([C@H](C)NC(=O)CC[C@H](C)c2ccccc2)sc1C(=O)[O-] ZINC000263524039 1037039375 /nfs/dbraw/zinc/03/93/75/1037039375.db2.gz ITUGPAPNSYDEDC-AAEUAGOBSA-N -1 0 346.452 3.911 20 0 EHADRM Cc1ccc(NC(=O)C(C)(C)COCc2ccccc2)cc1C(=O)[O-] ZINC000263525600 1037039779 /nfs/dbraw/zinc/03/97/79/1037039779.db2.gz JQKREOAHIIPILE-UHFFFAOYSA-N -1 0 341.407 3.875 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000263536609 1037071095 /nfs/dbraw/zinc/07/10/95/1037071095.db2.gz OVKTXMSAZYLLLG-KRWDZBQOSA-N -1 0 349.477 3.929 20 0 EHADRM CC(C)c1n[n-]c(=NCc2cccc(OCc3ccccc3F)c2)o1 ZINC000539709625 1037096398 /nfs/dbraw/zinc/09/63/98/1037096398.db2.gz JJWKCHNZJKLYHS-UHFFFAOYSA-N -1 0 341.386 3.945 20 0 EHADRM Cc1ccc(N(C)S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)cc1 ZINC000303139304 1037133656 /nfs/dbraw/zinc/13/36/56/1037133656.db2.gz PTKIWKFFCWRTCH-UHFFFAOYSA-N -1 0 347.436 3.642 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@H](C)SCc2ccccc2)c1 ZINC000539747041 1037146579 /nfs/dbraw/zinc/14/65/79/1037146579.db2.gz IGIVMHLIPWDXHG-ZDUSSCGKSA-N -1 0 329.421 3.855 20 0 EHADRM CC(C)C[C@H](CCO)CN=c1[n-]nc(-c2ccccc2Cl)s1 ZINC000546889021 1037159865 /nfs/dbraw/zinc/15/98/65/1037159865.db2.gz VEUFCBLUTSJCGE-LBPRGKRZSA-N -1 0 339.892 3.737 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)[C@H](CC)c1cccc(C(F)(F)F)c1 ZINC000089285418 1037187284 /nfs/dbraw/zinc/18/72/84/1037187284.db2.gz CRBLRBQDTUHALM-GFCCVEGCSA-N -1 0 335.347 3.671 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)c1ccc(SCc2ccccc2)cc1 ZINC000089286821 1037206573 /nfs/dbraw/zinc/20/65/73/1037206573.db2.gz DZUALCUUNJEAQD-UHFFFAOYSA-N -1 0 347.461 3.799 20 0 EHADRM CC(C)N(Cc1ccccc1F)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000666566122 1037214511 /nfs/dbraw/zinc/21/45/11/1037214511.db2.gz HANYWFGPQRFPOB-UHFFFAOYSA-N -1 0 344.386 3.644 20 0 EHADRM CSc1ccccc1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000105589582 1037217016 /nfs/dbraw/zinc/21/70/16/1037217016.db2.gz FTIHRDUJQBLNCU-UHFFFAOYSA-N -1 0 333.356 3.627 20 0 EHADRM COCCN(CC(=O)[O-])Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000666578569 1037231124 /nfs/dbraw/zinc/23/11/24/1037231124.db2.gz HHZLSZVFAGIHBZ-UHFFFAOYSA-N -1 0 339.844 3.602 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)C2(C(F)(F)F)CCCCC2)cc1 ZINC000659118083 1037290262 /nfs/dbraw/zinc/29/02/62/1037290262.db2.gz TWCLJCJSFOPSLS-UHFFFAOYSA-N -1 0 343.345 3.556 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)NN=c1[n-]c(C(F)(F)F)cs1 ZINC000157260315 1037294280 /nfs/dbraw/zinc/29/42/80/1037294280.db2.gz UHDJJWUVNKMKCR-UHFFFAOYSA-N -1 0 335.738 3.881 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C3CC3)cc2)cc1 ZINC000659118371 1037295716 /nfs/dbraw/zinc/29/57/16/1037295716.db2.gz WAHTXZFPEYSBIK-GOSISDBHSA-N -1 0 339.391 3.518 20 0 EHADRM Cc1ccc(-c2nc(NC(=O)COc3ccccc3C(C)C)n[nH]2)o1 ZINC000532445958 1037304849 /nfs/dbraw/zinc/30/48/49/1037304849.db2.gz RVYRSEVYJLQDCN-UHFFFAOYSA-N -1 0 340.383 3.514 20 0 EHADRM CC(C)c1cccc(N(C)C(=O)c2nn(-c3ccccc3)cc2[O-])c1 ZINC000162960817 1037306244 /nfs/dbraw/zinc/30/62/44/1037306244.db2.gz ROSSZLWUONLQEP-UHFFFAOYSA-N -1 0 335.407 3.978 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000659120758 1037308354 /nfs/dbraw/zinc/30/83/54/1037308354.db2.gz AVYHMBBIHXHQNH-UHFFFAOYSA-N -1 0 345.370 3.520 20 0 EHADRM C[C@@H](Cc1ccco1)C(=O)NCc1c(C(=O)[O-])sc2ccsc21 ZINC000659133865 1037337788 /nfs/dbraw/zinc/33/77/88/1037337788.db2.gz CYIYAYJCSAZMIP-VIFPVBQESA-N -1 0 349.433 3.749 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)C1CC3(C1)CCCCC3)CC2 ZINC000659141766 1037360667 /nfs/dbraw/zinc/36/06/67/1037360667.db2.gz MMDJSUCUMJXNMD-UHFFFAOYSA-N -1 0 327.424 3.630 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000659145095 1037368849 /nfs/dbraw/zinc/36/88/49/1037368849.db2.gz MPXZVVVFTNNDRZ-QYZOEREBSA-N -1 0 343.467 3.891 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000659155167 1037388141 /nfs/dbraw/zinc/38/81/41/1037388141.db2.gz ZOBFPRCPWGZCFB-USXIJHARSA-N -1 0 339.391 3.695 20 0 EHADRM CC(C)C[C@@H](C(=O)N[C@H](CC(F)F)C(=O)[O-])c1ccc(Cl)cc1 ZINC000659156778 1037391993 /nfs/dbraw/zinc/39/19/93/1037391993.db2.gz OKZPCHDKNGPFBS-CHWSQXEVSA-N -1 0 347.789 3.694 20 0 EHADRM Cc1nc(=NCC2(c3ccc(Br)cc3)CCC2)s[n-]1 ZINC000462788232 1037397643 /nfs/dbraw/zinc/39/76/43/1037397643.db2.gz GPXFOSXDSCOTDC-UHFFFAOYSA-N -1 0 338.274 3.565 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)C[C@@H](CC)c2ccccc2)n1 ZINC000659185928 1037441179 /nfs/dbraw/zinc/44/11/79/1037441179.db2.gz DPNIGOMRDWSRSD-ZBFHGGJFSA-N -1 0 343.427 3.831 20 0 EHADRM O=C(c1c([O-])cc(F)cc1F)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000669933883 1037449520 /nfs/dbraw/zinc/44/95/20/1037449520.db2.gz MIWPVOQQVLYYBR-LBPRGKRZSA-N -1 0 349.299 3.865 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000659193234 1037462677 /nfs/dbraw/zinc/46/26/77/1037462677.db2.gz PADNYLVHNODSNZ-ICBNADEASA-N -1 0 341.451 3.590 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnn(C)c2-c2ccccc2)cc1C ZINC000074563270 1037476992 /nfs/dbraw/zinc/47/69/92/1037476992.db2.gz PTNPIPCOJINUAG-UHFFFAOYSA-N -1 0 341.436 3.505 20 0 EHADRM C[C@@H](CC(=O)N[C@@](C)(CCF)C(=O)[O-])c1ccccc1C(F)(F)F ZINC000659217414 1037499845 /nfs/dbraw/zinc/49/98/45/1037499845.db2.gz ZZIJPDGLEZWSCG-BONVTDFDSA-N -1 0 349.324 3.518 20 0 EHADRM Cc1ccccc1-n1nccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000303526891 1037513902 /nfs/dbraw/zinc/51/39/02/1037513902.db2.gz DIDMSOWYCOROOW-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CCC[C@H](C2CCC2)C1)C(=O)[O-] ZINC000659227575 1037534958 /nfs/dbraw/zinc/53/49/58/1037534958.db2.gz LQHAVESFMGBFDY-ZFWWWQNUSA-N -1 0 347.480 3.904 20 0 EHADRM C[C@@H](CC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccccc1C(F)(F)F ZINC000659230722 1037553520 /nfs/dbraw/zinc/55/35/20/1037553520.db2.gz COFYKKXWSDTPHJ-SDDRHHMPSA-N -1 0 343.345 3.521 20 0 EHADRM CC(C)Oc1ccc(/C=C\C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000493700540 1037568533 /nfs/dbraw/zinc/56/85/33/1037568533.db2.gz XVOFIOVFJTZJGZ-CGICMKJESA-N -1 0 345.439 3.590 20 0 EHADRM O=C(/C=C\[C@@H]1CCOC1)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000493706379 1037569619 /nfs/dbraw/zinc/56/96/19/1037569619.db2.gz LYHYTOYTHHOXQH-TWJVDONLSA-N -1 0 336.602 3.884 20 0 EHADRM CC(C)c1ccc(-c2noc(CN3CC[C@H](C)C[C@@H]3C(=O)[O-])n2)cc1 ZINC000573499394 1037589937 /nfs/dbraw/zinc/58/99/37/1037589937.db2.gz JJOXBPNNTQKDCN-XJKSGUPXSA-N -1 0 343.427 3.545 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCCO[C@H](c2ccccc2)C1 ZINC000591831247 1037641755 /nfs/dbraw/zinc/64/17/55/1037641755.db2.gz DXVWXZRTVYXSCF-KRWDZBQOSA-N -1 0 331.799 3.649 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)c2cc3cc(Cl)ccc3s2)CC1 ZINC000659142388 1037673565 /nfs/dbraw/zinc/67/35/65/1037673565.db2.gz OAYHBBSGRUFGMX-UHFFFAOYSA-N -1 0 337.828 3.882 20 0 EHADRM CC(C)(C)C[C@H]([N-]S(=O)(=O)CCCC(C)(F)F)C(F)(F)F ZINC000914338385 1037680513 /nfs/dbraw/zinc/68/05/13/1037680513.db2.gz XEIHYBDQMFXRAJ-VIFPVBQESA-N -1 0 339.370 3.708 20 0 EHADRM CC[C@@H](NC(=O)N(CC(=O)[O-])CC(C)C)c1ccc(Cl)s1 ZINC000780573032 1037721093 /nfs/dbraw/zinc/72/10/93/1037721093.db2.gz HAYXNOROCMAIKB-SNVBAGLBSA-N -1 0 332.853 3.605 20 0 EHADRM COCCOc1cccc(-c2ccc(C(=O)CCCC(=O)[O-])cc2)c1 ZINC000573699958 1037727599 /nfs/dbraw/zinc/72/75/99/1037727599.db2.gz RDQYPEAWMKWVFY-UHFFFAOYSA-N -1 0 342.391 3.816 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)cc1 ZINC000172906804 1037738728 /nfs/dbraw/zinc/73/87/28/1037738728.db2.gz SEDAVHFCLCRTAW-UHFFFAOYSA-N -1 0 331.315 3.536 20 0 EHADRM CO[C@H](C)c1nc(=NCCc2cccc(Cl)c2Cl)s[n-]1 ZINC000509664296 1037746212 /nfs/dbraw/zinc/74/62/12/1037746212.db2.gz IUWJNNSECRGUNV-MRVPVSSYSA-N -1 0 332.256 3.629 20 0 EHADRM C[C@H]1C[C@H](C)CN(C(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000303851815 1037794403 /nfs/dbraw/zinc/79/44/03/1037794403.db2.gz KWOIBYBLLCXALF-IUCAKERBSA-N -1 0 346.652 3.926 20 0 EHADRM Cc1c2ccccc2nc(N2CCC[C@@]3(CCCOC3)C2)c1C(=O)[O-] ZINC000573922729 1037805111 /nfs/dbraw/zinc/80/51/11/1037805111.db2.gz DINBMCOXRNDPLF-HXUWFJFHSA-N -1 0 340.423 3.638 20 0 EHADRM CSc1ccccc1CC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000669434534 1037830635 /nfs/dbraw/zinc/83/06/35/1037830635.db2.gz SCUUADABLRUVAW-HNNXBMFYSA-N -1 0 341.432 3.556 20 0 EHADRM Cc1cc(C(=O)NCC2(C(=O)[O-])CCC2)c(C)n1C1CCCCC1 ZINC000532612386 1037915621 /nfs/dbraw/zinc/91/56/21/1037915621.db2.gz KBSBQHRSYHCNDE-UHFFFAOYSA-N -1 0 332.444 3.595 20 0 EHADRM Cc1noc(=NC(=O)c2ccc(-c3ccc(C(C)(C)C)cc3)o2)[n-]1 ZINC000463289837 1038001823 /nfs/dbraw/zinc/00/18/23/1038001823.db2.gz HRLGJRCBPYDOEI-UHFFFAOYSA-N -1 0 325.368 3.610 20 0 EHADRM CSc1ccc(C)c([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000540496560 1038017773 /nfs/dbraw/zinc/01/77/73/1038017773.db2.gz BWKZZSMJFMCSFW-UHFFFAOYSA-N -1 0 329.393 3.796 20 0 EHADRM CCC[C@@H](C(=O)Nc1ncc(C(=O)OCC)[n-]1)c1cccc(Cl)c1 ZINC001272341082 1038122116 /nfs/dbraw/zinc/12/21/16/1038122116.db2.gz BFGDNIZQQFGSKP-CYBMUJFWSA-N -1 0 349.818 3.762 20 0 EHADRM c1ccc(-c2nc(=N[C@@H](c3ccccc3)[C@H]3CCOC3)s[n-]2)cc1 ZINC000540596501 1038129060 /nfs/dbraw/zinc/12/90/60/1038129060.db2.gz BHXQHRSYESHAIV-IRXDYDNUSA-N -1 0 337.448 3.817 20 0 EHADRM CC[C@H]1CC[C@H](C)N1C(=O)c1cc(F)cc(Br)c1[O-] ZINC000416189708 1038294999 /nfs/dbraw/zinc/29/49/99/1038294999.db2.gz LENCBAJTYJTQSQ-WPRPVWTQSA-N -1 0 330.197 3.697 20 0 EHADRM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(C(F)(F)F)s1 ZINC000461338771 1038352858 /nfs/dbraw/zinc/35/28/58/1038352858.db2.gz MSHMSSJXVGKOIH-UHFFFAOYSA-N -1 0 343.298 3.846 20 0 EHADRM COc1ccc([C@H](C)CC(=O)NCC2(CC(=O)[O-])CCCCC2)cc1 ZINC000538576746 1038398916 /nfs/dbraw/zinc/39/89/16/1038398916.db2.gz BNNCPSTVVKWRBN-OAHLLOKOSA-N -1 0 347.455 3.730 20 0 EHADRM COc1ccc(S[C@H](C)C(=O)Nc2cc(C(C)=O)ccc2[O-])cc1 ZINC000538650319 1038454391 /nfs/dbraw/zinc/45/43/91/1038454391.db2.gz QVOHJYFUTUHAKH-GFCCVEGCSA-N -1 0 345.420 3.723 20 0 EHADRM CCC[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])c1ccc(F)cc1F ZINC000236828254 1038586476 /nfs/dbraw/zinc/58/64/76/1038586476.db2.gz SBYUWGCKAGXLOV-CQSZACIVSA-N -1 0 327.371 3.813 20 0 EHADRM O=C([O-])[C@H]1CCN(c2nc(-c3ccccc3C(F)(F)F)cs2)C1 ZINC000416385841 1038619362 /nfs/dbraw/zinc/61/93/62/1038619362.db2.gz HJINRISOAVHJGO-VIFPVBQESA-N -1 0 342.342 3.740 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)o1 ZINC000539113695 1038691494 /nfs/dbraw/zinc/69/14/94/1038691494.db2.gz HHDWLBSUKIFMEW-UHFFFAOYSA-N -1 0 333.331 3.884 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N[C@@H](C)c2ccncc2CC)s1 ZINC000539184584 1038723306 /nfs/dbraw/zinc/72/33/06/1038723306.db2.gz VVCWMHLGKZEXCL-LBPRGKRZSA-N -1 0 347.488 3.533 20 0 EHADRM Cc1ccc(SC[C@H](C)NC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1 ZINC000910250194 1038789780 /nfs/dbraw/zinc/78/97/80/1038789780.db2.gz CTOYSKVTBQPLNQ-YCMKEVRSSA-N -1 0 347.480 3.627 20 0 EHADRM O=C([O-])C12CCC(C(=O)NCc3ccc(C4CC4)cc3F)(CC1)CC2 ZINC000910252137 1038789966 /nfs/dbraw/zinc/78/99/66/1038789966.db2.gz CCODFLHSIIHCPH-UHFFFAOYSA-N -1 0 345.414 3.745 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccccc2OC2CC2)cc1 ZINC000910297651 1038828006 /nfs/dbraw/zinc/82/80/06/1038828006.db2.gz FYTYXHIQRTUBQB-DLBZAZTESA-N -1 0 337.375 3.668 20 0 EHADRM CC1(/C=C\C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)CCOCC1 ZINC000910359522 1038852008 /nfs/dbraw/zinc/85/20/08/1038852008.db2.gz BZZREBNWDSXTKH-SREVYHEPSA-N -1 0 339.391 3.849 20 0 EHADRM CC(C(=O)N1CCC(c2nc(C)c(C(=O)[O-])s2)CC1)=C1CCCC1 ZINC000910358796 1038852679 /nfs/dbraw/zinc/85/26/79/1038852679.db2.gz XNRFOQOKOJOQMT-UHFFFAOYSA-N -1 0 348.468 3.746 20 0 EHADRM O=C([O-])c1ccccc1-c1ccccc1C(=O)N1CCC(F)CC1 ZINC000910411892 1038899335 /nfs/dbraw/zinc/89/93/35/1038899335.db2.gz LHUJLWOEZZCTHC-UHFFFAOYSA-N -1 0 327.355 3.626 20 0 EHADRM Cc1oc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)nc1C1CC1 ZINC000570016201 1038901939 /nfs/dbraw/zinc/90/19/39/1038901939.db2.gz MDSHLRGNYLGOPA-UHFFFAOYSA-N -1 0 334.441 3.959 20 0 EHADRM C[C@H](Nc1cccc(C(F)(F)F)n1)c1ccc(OCC(=O)[O-])cc1 ZINC000910466993 1038927695 /nfs/dbraw/zinc/92/76/95/1038927695.db2.gz PBCZLMJEAZBQAP-JTQLQIEISA-N -1 0 340.301 3.737 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000910508919 1038936613 /nfs/dbraw/zinc/93/66/13/1038936613.db2.gz JSSDLTHKTCCXCL-UHFFFAOYSA-N -1 0 335.231 3.531 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)COC2)c1ccc(Cl)cc1Cl ZINC000485387713 1038988529 /nfs/dbraw/zinc/98/85/29/1038988529.db2.gz HBZUKAWWFNTQPN-UHFFFAOYSA-N -1 0 344.219 3.824 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccccc2)nn1-c1cccc(Cl)c1 ZINC000554150452 1038988802 /nfs/dbraw/zinc/98/88/02/1038988802.db2.gz NSDYHAQAPMCLKL-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM CCCCCC[C@@H](CC)C(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC000910618494 1038991463 /nfs/dbraw/zinc/99/14/63/1038991463.db2.gz PPIWNZBSHMONBE-HITAIPBASA-N -1 0 339.476 3.512 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N(CC(F)F)C1CCC1)C(=O)[O-] ZINC000910622193 1038992206 /nfs/dbraw/zinc/99/22/06/1038992206.db2.gz ZEWQLVMJUWZWDY-SNVBAGLBSA-N -1 0 343.395 3.512 20 0 EHADRM CCSCc1ccnc(NC(=O)CC2(CC(=O)[O-])CCCC2)c1 ZINC000910648602 1039002215 /nfs/dbraw/zinc/00/22/15/1039002215.db2.gz LFDBEDCHEMMTLX-UHFFFAOYSA-N -1 0 336.457 3.698 20 0 EHADRM CCCCn1ncc(NC(=O)Cc2ccc(C(=O)[O-])cc2)c1C(C)C ZINC000910656305 1039006109 /nfs/dbraw/zinc/00/61/09/1039006109.db2.gz LOTSVOVBWVJPCH-UHFFFAOYSA-N -1 0 343.427 3.686 20 0 EHADRM CC[C@@H](C)[C@@H](C(=O)Nc1ncc(CC(=O)[O-])s1)c1ccccc1 ZINC000910673693 1039013693 /nfs/dbraw/zinc/01/36/93/1039013693.db2.gz QLFJFPUQCFHARF-IAQYHMDHSA-N -1 0 332.425 3.539 20 0 EHADRM O=C([O-])CCc1csc(NC(=O)CC2CC(c3ccccc3)C2)n1 ZINC000910646909 1039015968 /nfs/dbraw/zinc/01/59/68/1039015968.db2.gz XWDXEZDSNNRWQZ-UHFFFAOYSA-N -1 0 344.436 3.683 20 0 EHADRM O=S(=O)([N-]c1cc(F)ccc1O)c1ccc(Cl)cc1Cl ZINC000485394290 1039022789 /nfs/dbraw/zinc/02/27/89/1039022789.db2.gz VBFFRRQJWRDCNY-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM Cc1nc(=N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)s[n-]1 ZINC000485423939 1039045182 /nfs/dbraw/zinc/04/51/82/1039045182.db2.gz PTDQQJKPUPMRTF-MGCOHNPYSA-N -1 0 342.237 3.528 20 0 EHADRM Cc1cnc([C@H](C)Sc2n[n-]c(=Nc3ccccc3F)s2)cn1 ZINC000488278431 1039055812 /nfs/dbraw/zinc/05/58/12/1039055812.db2.gz ATXAKUBOHBULDY-JTQLQIEISA-N -1 0 347.444 3.794 20 0 EHADRM C[C@H](Nc1ccc2cnn(CC(=O)[O-])c2c1)C1CCC(F)(F)CC1 ZINC000905751900 1039071755 /nfs/dbraw/zinc/07/17/55/1039071755.db2.gz LNXJFQUZSCJMPT-NSHDSACASA-N -1 0 337.370 3.747 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1cc(OC)ccc1OC(C)C ZINC000488305023 1039083805 /nfs/dbraw/zinc/08/38/05/1039083805.db2.gz DIIMREMCBOQEHB-UHFFFAOYSA-N -1 0 349.452 3.846 20 0 EHADRM CSc1cc(C(=O)NC2CC(CC(=O)[O-])C2)c(Cl)cc1Cl ZINC000910807273 1039103788 /nfs/dbraw/zinc/10/37/88/1039103788.db2.gz SLFWPQLOFIZFRC-UHFFFAOYSA-N -1 0 348.251 3.698 20 0 EHADRM C[C@H](CC(=O)NC1CC(CC(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC000910809445 1039104471 /nfs/dbraw/zinc/10/44/71/1039104471.db2.gz DQBXZQBDIHMEJM-CDWSIMAYSA-N -1 0 343.345 3.569 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1c[nH]c(-c2ccccc2)n1 ZINC000500651071 1039113696 /nfs/dbraw/zinc/11/36/96/1039113696.db2.gz MDBXLAGUSSQJGU-UHFFFAOYSA-N -1 0 331.734 3.827 20 0 EHADRM COc1cccc([C@@H](C)CCCC(=O)NCC(C)(C)CC(=O)[O-])c1 ZINC000910828926 1039119282 /nfs/dbraw/zinc/11/92/82/1039119282.db2.gz GWIMORCPAVINOI-AWEZNQCLSA-N -1 0 335.444 3.586 20 0 EHADRM C[C@@H]1CN(C(=O)CCCc2ccc3ccccc3c2)C[C@H]1CC(=O)[O-] ZINC000910861174 1039123795 /nfs/dbraw/zinc/12/37/95/1039123795.db2.gz NXIZFYLDZCVFKT-DNVCBOLYSA-N -1 0 339.435 3.732 20 0 EHADRM COc1ccc(C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)c(O)c1 ZINC000014348808 1039124199 /nfs/dbraw/zinc/12/41/99/1039124199.db2.gz PORKBNLTXPJHBE-UHFFFAOYSA-N -1 0 348.402 3.812 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1CCC(=O)c2ccccc21 ZINC000910958933 1039158283 /nfs/dbraw/zinc/15/82/83/1039158283.db2.gz NGWARYATOGFNHC-INIZCTEOSA-N -1 0 337.375 3.646 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1CCc2cccc(OC)c21 ZINC000910959834 1039160152 /nfs/dbraw/zinc/16/01/52/1039160152.db2.gz VNNFJBHQHQLFGN-OAHLLOKOSA-N -1 0 339.391 3.624 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1CCc2cc(OC)ccc21 ZINC000910964943 1039162693 /nfs/dbraw/zinc/16/26/93/1039162693.db2.gz JSQZOFZRUWSOGS-KRWDZBQOSA-N -1 0 339.391 3.624 20 0 EHADRM CC(C)(C)OCc1ccccc1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000910943354 1039168064 /nfs/dbraw/zinc/16/80/64/1039168064.db2.gz ATTKVNBOCXISBA-UHFFFAOYSA-N -1 0 327.380 3.952 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)ccc1O)c1cc(F)ccc1Cl ZINC000150855844 1039170010 /nfs/dbraw/zinc/17/00/10/1039170010.db2.gz PONIANQDFURSGF-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM CC(C)(C)[C@H]1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)c2ccccc21 ZINC000614054861 1039179147 /nfs/dbraw/zinc/17/91/47/1039179147.db2.gz HTBOXMGQWWZBCH-LBPRGKRZSA-N -1 0 337.379 3.719 20 0 EHADRM O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2CCCCCCC2)CC1 ZINC000911018219 1039186395 /nfs/dbraw/zinc/18/63/95/1039186395.db2.gz VHZFLONAEIYWAO-UHFFFAOYSA-N -1 0 335.366 3.603 20 0 EHADRM CCCCC[C@@H](C)CC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)CC1 ZINC000911018618 1039186943 /nfs/dbraw/zinc/18/69/43/1039186943.db2.gz JSXOWCZUFZSWDB-GFCCVEGCSA-N -1 0 337.382 3.849 20 0 EHADRM CC1(CC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)CC2)CCCCC1 ZINC000911021673 1039188680 /nfs/dbraw/zinc/18/86/80/1039188680.db2.gz ZUSIGTPFTGCALL-UHFFFAOYSA-N -1 0 335.366 3.603 20 0 EHADRM C[C@H]1C[C@@H](N=c2[n-]c(C(F)(F)F)c(Br)s2)CS1 ZINC000418972387 1039191295 /nfs/dbraw/zinc/19/12/95/1039191295.db2.gz NPNKEYUVPXLDQK-CRCLSJGQSA-N -1 0 347.225 3.652 20 0 EHADRM C[C@@H]1CSC[C@@H]1N=c1[n-]c(C(F)(F)F)c(Br)s1 ZINC000418975981 1039193390 /nfs/dbraw/zinc/19/33/90/1039193390.db2.gz ULBUUOIKTSGVTG-UHNVWZDZSA-N -1 0 347.225 3.510 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)nc1 ZINC000570171567 1039227475 /nfs/dbraw/zinc/22/74/75/1039227475.db2.gz BWMGHLVIMKPTCL-UHFFFAOYSA-N -1 0 349.264 3.911 20 0 EHADRM CCC(CC)(CC(=O)Nc1ccccc1OCC(F)F)C(=O)[O-] ZINC000236880411 1039274893 /nfs/dbraw/zinc/27/48/93/1039274893.db2.gz BFQDVVIUOSLAPB-UHFFFAOYSA-N -1 0 329.343 3.550 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)N2CCC[C@@H]2C2CCCCC2)s1 ZINC000511594132 1039281463 /nfs/dbraw/zinc/28/14/63/1039281463.db2.gz BRVYPFSQQWPQEX-CYBMUJFWSA-N -1 0 336.505 3.834 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(C)[C@@H]2CCC(C)(C)C2)n1 ZINC000478206991 1039290493 /nfs/dbraw/zinc/29/04/93/1039290493.db2.gz FWRCVIQNHZLSKP-CQSZACIVSA-N -1 0 345.418 3.676 20 0 EHADRM Clc1ccc2c(c1)[C@@H](N=c1nc(-c3ccccc3)[n-]s1)CO2 ZINC000500735460 1039303667 /nfs/dbraw/zinc/30/36/67/1039303667.db2.gz AGVSHWCJZHWBAM-ZDUSSCGKSA-N -1 0 329.812 3.826 20 0 EHADRM COCc1n[n-]c(=NCc2ccc(-c3ccccc3)cc2F)s1 ZINC000488675937 1039335397 /nfs/dbraw/zinc/33/53/97/1039335397.db2.gz MGQCRXUWOJZZMB-UHFFFAOYSA-N -1 0 329.400 3.525 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)N[C@@H](C)c2nc(C)c(C(=O)[O-])s2)C1(C)C ZINC000237470134 1039336345 /nfs/dbraw/zinc/33/63/45/1039336345.db2.gz SCJUFBJICOUJCQ-TUAOUCFPSA-N -1 0 336.457 3.565 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3CC[C@@H](c4cccc(F)c4)C3)(CC1)CC2 ZINC000911371394 1039344455 /nfs/dbraw/zinc/34/44/55/1039344455.db2.gz NQKMVZZSBFTVKC-APMMTJHUSA-N -1 0 345.414 3.567 20 0 EHADRM Cc1cc(F)ccc1[C@H]1CCCN1C(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000911400862 1039354394 /nfs/dbraw/zinc/35/43/94/1039354394.db2.gz YWWMGQHCXICOCS-IXDOHACOSA-N -1 0 333.403 3.689 20 0 EHADRM Cc1ccccc1C(NC(=O)[C@H](C)CC(=O)[O-])c1ccccc1C ZINC000911489409 1039389167 /nfs/dbraw/zinc/38/91/67/1039389167.db2.gz BXPRPRODGNQPBW-OAHLLOKOSA-N -1 0 325.408 3.620 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000911529864 1039399423 /nfs/dbraw/zinc/39/94/23/1039399423.db2.gz HHUHFHLNAKKSFG-HNNXBMFYSA-N -1 0 343.427 3.508 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccccc1C ZINC000237658965 1039407095 /nfs/dbraw/zinc/40/70/95/1039407095.db2.gz HMIRIPHUZHWFDM-PMPSAXMXSA-N -1 0 343.448 3.801 20 0 EHADRM CCCOCCOc1cccc(-c2cn(C(C)C)nc2C(=O)[O-])c1 ZINC000906241472 1039426083 /nfs/dbraw/zinc/42/60/83/1039426083.db2.gz SPIDXCHHXSNKSV-UHFFFAOYSA-N -1 0 332.400 3.635 20 0 EHADRM CC(C)n1cc(/C=C/c2cc(C(=O)[O-])c3cnn(C(C)C)c3n2)cn1 ZINC000554518830 1039430274 /nfs/dbraw/zinc/43/02/74/1039430274.db2.gz LKHQKTIQBLDAGT-AATRIKPKSA-N -1 0 339.399 3.658 20 0 EHADRM Cc1ccsc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000237768360 1039436896 /nfs/dbraw/zinc/43/68/96/1039436896.db2.gz BMQBARZTYJFPKF-LBPRGKRZSA-N -1 0 341.791 3.795 20 0 EHADRM CCOCCC1(C(=O)Nc2cc(C(=O)[O-])c(C)cc2F)CCCC1 ZINC000911681735 1039457550 /nfs/dbraw/zinc/45/75/50/1039457550.db2.gz QCWDOXPMCAFQJL-UHFFFAOYSA-N -1 0 337.391 3.758 20 0 EHADRM CCc1c(C(=O)Nc2cc(C(=O)[O-])c(C)cc2F)cnn1C(C)(C)C ZINC000911681603 1039457610 /nfs/dbraw/zinc/45/76/10/1039457610.db2.gz MWGYAXNUBBLTEP-UHFFFAOYSA-N -1 0 347.390 3.599 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2C(=O)Nc2cc(C(=O)[O-])c(C)cc2F)cc1 ZINC000911686796 1039460248 /nfs/dbraw/zinc/46/02/48/1039460248.db2.gz BQVMOTBXYCWJKQ-LSDHHAIUSA-N -1 0 343.354 3.583 20 0 EHADRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2F)nn1[C@H](C)C1CC1 ZINC000911686292 1039460368 /nfs/dbraw/zinc/46/03/68/1039460368.db2.gz ILYHWJKNIFIPER-LLVKDONJSA-N -1 0 345.374 3.561 20 0 EHADRM Cc1cc(F)c(NC(=O)[C@@H]2CCCc3c(O)cccc32)cc1C(=O)[O-] ZINC000911690138 1039462480 /nfs/dbraw/zinc/46/24/80/1039462480.db2.gz XCQSLEFNFGDRIH-CYBMUJFWSA-N -1 0 343.354 3.597 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)NC12CCC(C(F)(F)F)(CC1)CC2 ZINC000911698328 1039467496 /nfs/dbraw/zinc/46/74/96/1039467496.db2.gz NKAMVKIPOYWCOX-UHFFFAOYSA-N -1 0 345.317 3.671 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1ccc(Oc2cccnc2)cc1 ZINC000238132152 1039495969 /nfs/dbraw/zinc/49/59/69/1039495969.db2.gz YUNXRALRYKFFBR-UHFFFAOYSA-N -1 0 342.395 3.639 20 0 EHADRM O=C(Nc1cccc2cnccc21)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000478625424 1039582355 /nfs/dbraw/zinc/58/23/55/1039582355.db2.gz IHHCRWMQJHMMPX-UHFFFAOYSA-N -1 0 348.337 3.518 20 0 EHADRM CC(C)CCOc1ccccc1CN=c1[n-]nc(C(F)F)s1 ZINC000554674981 1039594158 /nfs/dbraw/zinc/59/41/58/1039594158.db2.gz BCAZSRXPODJDCK-UHFFFAOYSA-N -1 0 327.400 3.935 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000659152470 1039603567 /nfs/dbraw/zinc/60/35/67/1039603567.db2.gz HEGRVWPXCYQVBW-IIYDPXPESA-N -1 0 345.826 3.697 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cnc(C(C)C)nc2)cc1CC ZINC000478679120 1039633847 /nfs/dbraw/zinc/63/38/47/1039633847.db2.gz BMIUSUQOQFJFTR-UHFFFAOYSA-N -1 0 333.457 3.526 20 0 EHADRM O=S(=O)([N-]c1cccc2c1CCO2)c1cccc2ccccc21 ZINC000478683601 1039635698 /nfs/dbraw/zinc/63/56/98/1039635698.db2.gz ZQHIRYVIMLGXGU-UHFFFAOYSA-N -1 0 325.389 3.576 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c(C)cc1C ZINC000478713418 1039650109 /nfs/dbraw/zinc/65/01/09/1039650109.db2.gz ZAJDEFNTLNVSKU-UHFFFAOYSA-N -1 0 348.399 3.733 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1)c1ccccc1 ZINC000485936711 1039717973 /nfs/dbraw/zinc/71/79/73/1039717973.db2.gz UPRQYCFKVADQPC-AWEZNQCLSA-N -1 0 336.391 3.858 20 0 EHADRM Cc1cc(NC(=O)CCCOc2ccccc2F)cc(C(=O)[O-])c1C ZINC000485954547 1039720899 /nfs/dbraw/zinc/72/08/99/1039720899.db2.gz ISESFNDFBIGOEG-UHFFFAOYSA-N -1 0 345.370 3.938 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)Cc2cccc(Cl)c2)n1 ZINC000584773393 1039787085 /nfs/dbraw/zinc/78/70/85/1039787085.db2.gz YZWMMQLQMWFCCC-UHFFFAOYSA-N -1 0 330.862 3.691 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N2CCc3c(C)cc(C)cc3C2)s1 ZINC000486068695 1039831339 /nfs/dbraw/zinc/83/13/39/1039831339.db2.gz URTKYRAAKDPHQR-UHFFFAOYSA-N -1 0 344.484 3.510 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1cc(C)cc(Br)c1 ZINC000486101712 1039862415 /nfs/dbraw/zinc/86/24/15/1039862415.db2.gz OUORTHFGBCCHGM-UHFFFAOYSA-N -1 0 346.271 3.928 20 0 EHADRM CCCc1nc(C)c([N-]S(=O)(=O)c2cc(F)ccc2Cl)s1 ZINC000486108608 1039890287 /nfs/dbraw/zinc/89/02/87/1039890287.db2.gz LJWOBUGNWVVQCQ-UHFFFAOYSA-N -1 0 348.852 3.997 20 0 EHADRM O=c1nc(Cc2ccon2)[n-]c2cc(-c3cccc(Cl)c3)sc21 ZINC000150715784 1039947210 /nfs/dbraw/zinc/94/72/10/1039947210.db2.gz FFMNLJFHVFSHMH-UHFFFAOYSA-N -1 0 343.795 3.884 20 0 EHADRM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)[C@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000907202005 1039951630 /nfs/dbraw/zinc/95/16/30/1039951630.db2.gz DBGFWUHHEJQDQO-NLSBCDNUSA-N -1 0 334.586 3.516 20 0 EHADRM CCc1cnc(CN[C@@]2(C(=O)[O-])C[C@H](C(C)C)c3ccccc32)s1 ZINC000417562160 1040012023 /nfs/dbraw/zinc/01/20/23/1040012023.db2.gz BPMYSVKPHWYSIQ-BEFAXECRSA-N -1 0 344.480 3.919 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)cc1C(=O)[O-] ZINC000486274698 1040032278 /nfs/dbraw/zinc/03/22/78/1040032278.db2.gz MSTSQBDKMGFXLK-GFCCVEGCSA-N -1 0 345.782 3.536 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)CSc2ccc3ccccc3c2)CC1 ZINC000364158739 1040032764 /nfs/dbraw/zinc/03/27/64/1040032764.db2.gz DLBLGTYQIPYIES-UHFFFAOYSA-N -1 0 343.448 3.645 20 0 EHADRM CC[C@H](Cc1ccc(NCc2ncc(COC)s2)cc1)C(=O)[O-] ZINC000417608769 1040061065 /nfs/dbraw/zinc/06/10/65/1040061065.db2.gz JKCJEHFTHHQWNE-CYBMUJFWSA-N -1 0 334.441 3.555 20 0 EHADRM C[C@H](NC(=O)C1(C(=O)[O-])CCCC1)c1cccc(Cl)c1Cl ZINC000584840617 1040064323 /nfs/dbraw/zinc/06/43/23/1040064323.db2.gz BZVJTSYGHNHWHT-VIFPVBQESA-N -1 0 330.211 3.816 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NCc2ccnn2C2CCCC2)cc1 ZINC000417620614 1040074043 /nfs/dbraw/zinc/07/40/43/1040074043.db2.gz DHHHSFYUNFGFBJ-UHFFFAOYSA-N -1 0 327.428 3.973 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2ccc(OCC(C)C)cc2)c1 ZINC000512549093 1040075654 /nfs/dbraw/zinc/07/56/54/1040075654.db2.gz LXGZGIKAICOKAC-UHFFFAOYSA-N -1 0 327.380 3.882 20 0 EHADRM CC[C@H](Cc1ccc(NCc2cc(OC)cc(OC)c2)cc1)C(=O)[O-] ZINC000417616392 1040085284 /nfs/dbraw/zinc/08/52/84/1040085284.db2.gz YXFGTSQSUAUPCG-MRXNPFEDSA-N -1 0 343.423 3.969 20 0 EHADRM O=C([O-])c1sc2ccsc2c1CNC(=O)CCc1ccccc1 ZINC000486387495 1040102195 /nfs/dbraw/zinc/10/21/95/1040102195.db2.gz OECQUCIIKSEFHF-UHFFFAOYSA-N -1 0 345.445 3.910 20 0 EHADRM CC(C)(C)Cc1ncc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)s1 ZINC000907646205 1040127257 /nfs/dbraw/zinc/12/72/57/1040127257.db2.gz OOCJBUHDBSSCMD-LBPRGKRZSA-N -1 0 344.436 3.560 20 0 EHADRM C[C@@H](Sc1ccc(NCc2cnc(C(C)(C)C)nc2)cc1)C(=O)[O-] ZINC000417664699 1040141026 /nfs/dbraw/zinc/14/10/26/1040141026.db2.gz YWZAAKLVFMQWQF-GFCCVEGCSA-N -1 0 345.468 3.951 20 0 EHADRM CC(C)Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)s1 ZINC000907736994 1040153042 /nfs/dbraw/zinc/15/30/42/1040153042.db2.gz VWQLKHQILFDYAC-QLFBSQMISA-N -1 0 335.469 3.662 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cccc(F)c2)nn1C1CCCCC1 ZINC000555128816 1040188436 /nfs/dbraw/zinc/18/84/36/1040188436.db2.gz FCDLGMALDVJKQD-UHFFFAOYSA-N -1 0 337.420 3.637 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@H]23)c1 ZINC000907961347 1040248169 /nfs/dbraw/zinc/24/81/69/1040248169.db2.gz VBQORXGHWSHPQF-HWDJUHOGSA-N -1 0 343.467 3.604 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nc3c(ccc(F)c3F)s2)s1 ZINC000500870277 1040262608 /nfs/dbraw/zinc/26/26/08/1040262608.db2.gz VFJCZMLQSKLRIM-UHFFFAOYSA-N -1 0 346.405 3.745 20 0 EHADRM C[C@H](CC(=O)N(C)c1cccc(CC(=O)[O-])c1)c1ccc(F)cc1 ZINC000908076089 1040287000 /nfs/dbraw/zinc/28/70/00/1040287000.db2.gz AIXJUMHOBYJOID-CYBMUJFWSA-N -1 0 329.371 3.609 20 0 EHADRM C[C@@H](C(=O)N(C)c1cccc(CC(=O)[O-])c1)c1ccc(Cl)s1 ZINC000908078803 1040289621 /nfs/dbraw/zinc/28/96/21/1040289621.db2.gz CYCUORMSCMQZCX-SNVBAGLBSA-N -1 0 337.828 3.795 20 0 EHADRM CN(C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)c1cccc(CC(=O)[O-])c1 ZINC000908080406 1040290761 /nfs/dbraw/zinc/29/07/61/1040290761.db2.gz QQDIGNDLYYYHBQ-ZIAGYGMSSA-N -1 0 343.345 3.645 20 0 EHADRM CSCc1ccccc1NC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000899310754 1040298971 /nfs/dbraw/zinc/29/89/71/1040298971.db2.gz FBPLEKZYBLHSLE-CQSZACIVSA-N -1 0 336.457 3.801 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000899311886 1040310966 /nfs/dbraw/zinc/31/09/66/1040310966.db2.gz RRAOHBHXXLGCJD-CQSZACIVSA-N -1 0 334.416 3.725 20 0 EHADRM CSc1cc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])ccc1C ZINC000899313672 1040316868 /nfs/dbraw/zinc/31/68/68/1040316868.db2.gz PJSFBJAFVWYRQG-CQSZACIVSA-N -1 0 336.457 3.968 20 0 EHADRM CN(C(=O)c1c(O)cnc2c(F)cccc21)C1CCC(F)(F)CC1 ZINC000908219933 1040347152 /nfs/dbraw/zinc/34/71/52/1040347152.db2.gz JIDNLKIODQPRPS-UHFFFAOYSA-N -1 0 338.329 3.729 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)NCCCCC2(C(=O)[O-])CCC2)cc1 ZINC000908338322 1040398978 /nfs/dbraw/zinc/39/89/78/1040398978.db2.gz IUOGFFCDHARHHR-HNNXBMFYSA-N -1 0 347.455 3.730 20 0 EHADRM CC(C)Oc1ccc(Cl)cc1C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1 ZINC000908366372 1040415342 /nfs/dbraw/zinc/41/53/42/1040415342.db2.gz DANOBJXNZHKKPV-WCQYABFASA-N -1 0 339.819 3.500 20 0 EHADRM C[C@H](c1ccc(C(=O)N[C@@H]2CC[C@H](CC(=O)[O-])C2)cc1)C(F)(F)F ZINC000908383221 1040424277 /nfs/dbraw/zinc/42/42/77/1040424277.db2.gz LXQUFAWBJDZDSN-UHIISALHSA-N -1 0 343.345 3.726 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)CCc2ccc3[nH]ccc3c2)cc1 ZINC000190882241 1040496760 /nfs/dbraw/zinc/49/67/60/1040496760.db2.gz NSJUWBLHUBEAMF-BJMVGYQFSA-N -1 0 334.375 3.837 20 0 EHADRM O=C([O-])CC1CCN(C(=O)c2csc(C3CCCCC3)n2)CC1 ZINC000908680710 1040569491 /nfs/dbraw/zinc/56/94/91/1040569491.db2.gz DRECXPRWAVOFLY-UHFFFAOYSA-N -1 0 336.457 3.518 20 0 EHADRM CC1(C)CC[C@@H](CC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)OC1 ZINC000908684275 1040571934 /nfs/dbraw/zinc/57/19/34/1040571934.db2.gz RYOCGQUCFLNYRG-NSHDSACASA-N -1 0 325.792 3.572 20 0 EHADRM CC(C)(C)c1cc(C(=O)Nc2cccc(O)c2Br)no1 ZINC000908713970 1040606877 /nfs/dbraw/zinc/60/68/77/1040606877.db2.gz XHYXNDBJXHIAQL-UHFFFAOYSA-N -1 0 339.189 3.693 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@@H](CC)c2ccc(Cl)s2)s1 ZINC000512715974 1040629260 /nfs/dbraw/zinc/62/92/60/1040629260.db2.gz LBYNMOPBDGUREQ-QMMMGPOBSA-N -1 0 344.893 3.900 20 0 EHADRM CC(C)(C)CN(Cc1ccccc1)C(=O)c1ccoc1CC(=O)[O-] ZINC000908782092 1040647306 /nfs/dbraw/zinc/64/73/06/1040647306.db2.gz WHABEQATEIJIHO-UHFFFAOYSA-N -1 0 329.396 3.595 20 0 EHADRM CCC[C@@H](Cc1ccccc1)NC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000908777807 1040658325 /nfs/dbraw/zinc/65/83/25/1040658325.db2.gz FXHNCACEUSOHOM-DZIBYMRMSA-N -1 0 329.440 3.549 20 0 EHADRM CC(C)c1csc(CNC(=O)c2ccc3[n-]c(=S)oc3c2)n1 ZINC000151252403 1040702710 /nfs/dbraw/zinc/70/27/10/1040702710.db2.gz LBXLNJRQGANVEC-UHFFFAOYSA-N -1 0 333.438 3.626 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C1Cc2ccccc2C1 ZINC000908899638 1040708365 /nfs/dbraw/zinc/70/83/65/1040708365.db2.gz WPHSXORGMDSLRN-UHFFFAOYSA-N -1 0 339.391 3.526 20 0 EHADRM CC(C)(CC(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1)CC(F)F ZINC000909186416 1040850985 /nfs/dbraw/zinc/85/09/85/1040850985.db2.gz SMSUGPJQKBGJTQ-UHFFFAOYSA-N -1 0 338.354 3.736 20 0 EHADRM CCC(CC)(CC(=O)Nc1ccccc1OCC(F)(F)F)C(=O)[O-] ZINC000325042883 1040855270 /nfs/dbraw/zinc/85/52/70/1040855270.db2.gz NFWVJAXDAXUPAW-UHFFFAOYSA-N -1 0 347.333 3.847 20 0 EHADRM CCCOc1ccc(-c2nc(C(F)(F)F)c(C(=O)[O-])o2)c(F)c1 ZINC000899633509 1040884463 /nfs/dbraw/zinc/88/44/63/1040884463.db2.gz AHWPYJHJMRGVNQ-UHFFFAOYSA-N -1 0 333.237 3.987 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1ccc(-n2cccc2)nc1 ZINC000163669139 1040980929 /nfs/dbraw/zinc/98/09/29/1040980929.db2.gz FOLBMEWHKBFRAN-UHFFFAOYSA-N -1 0 336.376 3.555 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1ccc(F)c(C(F)(F)F)c1 ZINC000067124837 1040985245 /nfs/dbraw/zinc/98/52/45/1040985245.db2.gz AYLIGWXNADFDHT-UHFFFAOYSA-N -1 0 349.305 3.654 20 0 EHADRM CC(C)(CC(=O)N[C@@H](CC(F)F)C(=O)[O-])Cc1ccc(Cl)cc1 ZINC000909776932 1041006861 /nfs/dbraw/zinc/00/68/61/1041006861.db2.gz BGJMBIOLBXHFAB-LBPRGKRZSA-N -1 0 347.789 3.523 20 0 EHADRM CCC[C@H](CNC(=O)c1ccc(NCc2ccsc2)cc1)C(=O)[O-] ZINC000909809842 1041021313 /nfs/dbraw/zinc/02/13/13/1041021313.db2.gz SHTVJGOLQLVBEJ-OAHLLOKOSA-N -1 0 346.452 3.591 20 0 EHADRM CCN(C)[C@H](C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1)c1ccccc1 ZINC000909835922 1041031063 /nfs/dbraw/zinc/03/10/63/1041031063.db2.gz WSIOFPQOZFXDNN-KSSFIOAISA-N -1 0 340.423 3.506 20 0 EHADRM C[C@@H](C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-])c1ccc(Cl)cc1 ZINC000652059307 1041068879 /nfs/dbraw/zinc/06/88/79/1041068879.db2.gz IOQNPUNPCAKCMW-CZUORRHYSA-N -1 0 345.826 3.503 20 0 EHADRM CC(C)[C@@H](NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-])c1ccc(F)cc1 ZINC000899761140 1041088728 /nfs/dbraw/zinc/08/87/28/1041088728.db2.gz CXERBTHZOUOWME-WDKDSRHDSA-N -1 0 345.414 3.552 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)NCc1ccc(-c2cccnc2)cc1 ZINC000899770708 1041107280 /nfs/dbraw/zinc/10/72/80/1041107280.db2.gz NJNUKOSLCMPGKS-GOSISDBHSA-N -1 0 340.423 3.502 20 0 EHADRM C[C@@H](c1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1)C(F)(F)F ZINC000909988666 1041123522 /nfs/dbraw/zinc/12/35/22/1041123522.db2.gz VEKXJMCYKNHVOE-SUNKGSAMSA-N -1 0 343.345 3.535 20 0 EHADRM Cc1ccc([C@H](CC(=O)N(C)[C@H](C)c2cccs2)C(=O)[O-])cc1 ZINC000899800896 1041139034 /nfs/dbraw/zinc/13/90/34/1041139034.db2.gz HZFUPUOQWYJYCX-HIFRSBDPSA-N -1 0 331.437 3.834 20 0 EHADRM COc1cc(C)c(C)cc1NC(=O)C[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000899792876 1041143681 /nfs/dbraw/zinc/14/36/81/1041143681.db2.gz VDPJORBLIYPHDJ-MRXNPFEDSA-N -1 0 341.407 3.817 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)NCc1ccsc1C(F)(F)F ZINC000899795545 1041145947 /nfs/dbraw/zinc/14/59/47/1041145947.db2.gz XTRRKGKQLRWQBH-JTQLQIEISA-N -1 0 337.363 3.520 20 0 EHADRM Cc1ccc([C@H](CC(=O)N(C)[C@H]2CCc3ccccc32)C(=O)[O-])cc1 ZINC000899796970 1041149055 /nfs/dbraw/zinc/14/90/55/1041149055.db2.gz UVPVNNFJLUOWOR-OALUTQOASA-N -1 0 337.419 3.699 20 0 EHADRM Cc1ccc([C@H](CC(=O)NCC(C)(C)c2cccs2)C(=O)[O-])cc1 ZINC000899809742 1041156849 /nfs/dbraw/zinc/15/68/49/1041156849.db2.gz RWJBWRVHQCPULC-HNNXBMFYSA-N -1 0 345.464 3.709 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N(Cc2ccco2)C(C)C)C(=O)[O-])cc1 ZINC000899814863 1041160873 /nfs/dbraw/zinc/16/08/73/1041160873.db2.gz UXUDHUUYQWNFIR-QGZVFWFLSA-N -1 0 329.396 3.584 20 0 EHADRM Cc1nc(-c2ccccc2C)sc1C(=O)N(CC(=O)[O-])C1CCC1 ZINC000910083173 1041165733 /nfs/dbraw/zinc/16/57/33/1041165733.db2.gz ILACSAMDFIAMCC-UHFFFAOYSA-N -1 0 344.436 3.506 20 0 EHADRM CCCC[C@@H](C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])cs1)C(C)C ZINC000910101614 1041189426 /nfs/dbraw/zinc/18/94/26/1041189426.db2.gz IHVBTLRBJCAFEO-TZMCWYRMSA-N -1 0 338.473 3.967 20 0 EHADRM Cc1ccc([C@H](CC(=O)N(C)C2CCC(F)(F)CC2)C(=O)[O-])cc1 ZINC000899831510 1041192267 /nfs/dbraw/zinc/19/22/67/1041192267.db2.gz SXAVOFKJOOKMNR-HNNXBMFYSA-N -1 0 339.382 3.590 20 0 EHADRM O=C([O-])c1csc([C@@H]2CCCN2C(=O)c2cc3occc3s2)n1 ZINC000910110942 1041194798 /nfs/dbraw/zinc/19/47/98/1041194798.db2.gz WGHAWKDIRBPPTL-VIFPVBQESA-N -1 0 348.405 3.626 20 0 EHADRM O=C([O-])c1csc([C@H]2CCCN2C(=O)c2cc3occc3s2)n1 ZINC000910110941 1041195471 /nfs/dbraw/zinc/19/54/71/1041195471.db2.gz WGHAWKDIRBPPTL-SECBINFHSA-N -1 0 348.405 3.626 20 0 EHADRM O=C([O-])c1csc([C@H]2CCCN2C(=O)/C=C\C2CCCCC2)n1 ZINC000910113617 1041197356 /nfs/dbraw/zinc/19/73/56/1041197356.db2.gz JFHCWPDJTOPCHI-QIAWRQBBSA-N -1 0 334.441 3.641 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2c(C)coc2C)cc1 ZINC000909326081 1041229121 /nfs/dbraw/zinc/22/91/21/1041229121.db2.gz OKDKBEWYDFRHTM-CQSZACIVSA-N -1 0 333.409 3.564 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc(-c3ccccc3)cc2)C[C@@H]1C(=O)[O-] ZINC000647689942 1041244968 /nfs/dbraw/zinc/24/49/68/1041244968.db2.gz YMEVSAVIGHJKME-KDOFPFPSSA-N -1 0 338.407 3.928 20 0 EHADRM Cc1c(C(=O)[O-])sc2ncnc(NC[C@@H]3CCO[C@H](C(C)C)C3)c12 ZINC000571288227 1041256010 /nfs/dbraw/zinc/25/60/10/1041256010.db2.gz UEMQGLKMDFOTMI-NEPJUHHUSA-N -1 0 349.456 3.561 20 0 EHADRM O=C(c1cc(O)ccc1Cl)N1CCSC[C@@H]1c1ccccc1 ZINC000433343601 1041303512 /nfs/dbraw/zinc/30/35/12/1041303512.db2.gz OKHGDYNMQNNUEU-MRXNPFEDSA-N -1 0 333.840 3.976 20 0 EHADRM CO[C@H](C)c1nc(=N[C@@H]2C[C@H]2c2cccc3ccccc32)s[n-]1 ZINC000509888665 1041402962 /nfs/dbraw/zinc/40/29/62/1041402962.db2.gz BYYJKMYFOMFFLF-XFBWCDHKSA-N -1 0 325.437 3.789 20 0 EHADRM CO[C@H](C)c1nc(=NCc2cccc(-c3ccccc3)c2)s[n-]1 ZINC000461213556 1041429025 /nfs/dbraw/zinc/42/90/25/1041429025.db2.gz PWOZREULOWZVIJ-CYBMUJFWSA-N -1 0 325.437 3.947 20 0 EHADRM Cc1ccc(S[C@H](C)C(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])cc1 ZINC000432100480 1041590221 /nfs/dbraw/zinc/59/02/21/1041590221.db2.gz XQFGXYWSTNHCHW-SIIHOXLZSA-N -1 0 335.469 3.625 20 0 EHADRM O=C([O-])C1(CC(=O)NC2(c3cccc(Cl)c3)CCCC2)CCC1 ZINC000432120938 1041618426 /nfs/dbraw/zinc/61/84/26/1041618426.db2.gz CTGGIADLUVZTOK-UHFFFAOYSA-N -1 0 335.831 3.871 20 0 EHADRM Cc1ccc2nc(C)c(C(=O)N[C@@]3(C)CCCC[C@H]3C(=O)[O-])cc2c1 ZINC000432132248 1041631190 /nfs/dbraw/zinc/63/11/90/1041631190.db2.gz ANSCSFDFIXSEMX-JXFKEZNVSA-N -1 0 340.423 3.615 20 0 EHADRM Cc1ccc(SCCC(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])cc1 ZINC000432137965 1041641199 /nfs/dbraw/zinc/64/11/99/1041641199.db2.gz HNHGCLSZBOPPRA-CRAIPNDOSA-N -1 0 335.469 3.627 20 0 EHADRM Cc1ccc(SCC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000013177469 1041668480 /nfs/dbraw/zinc/66/84/80/1041668480.db2.gz DHSQXNKLGMSRFI-MRXNPFEDSA-N -1 0 347.411 3.558 20 0 EHADRM CSc1ccc(NC(=O)N2CCC(C)(C(=O)[O-])CC2)cc1Cl ZINC000647697388 1041760658 /nfs/dbraw/zinc/76/06/58/1041760658.db2.gz GWMUMSRDFBRSMC-UHFFFAOYSA-N -1 0 342.848 3.781 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)Nc2cc(Cl)c(Cl)cc2F)CC1 ZINC000647701378 1041803081 /nfs/dbraw/zinc/80/30/81/1041803081.db2.gz MPXHATSZJGVXLZ-UHFFFAOYSA-N -1 0 349.189 3.851 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2cccc(-c3ccccc3)c2)C[C@@H]1C(=O)[O-] ZINC000647702235 1041851573 /nfs/dbraw/zinc/85/15/73/1041851573.db2.gz JIFGYTDSZRRICY-KSSFIOAISA-N -1 0 338.407 3.928 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3[C@H](C)CC[C@H]3C)n2)cc1 ZINC000119313008 1042198024 /nfs/dbraw/zinc/19/80/24/1042198024.db2.gz HCWUULWISLIBSZ-ZIAGYGMSSA-N -1 0 327.428 3.714 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1ccc(C2CC2)nc1C ZINC000909375624 1042313132 /nfs/dbraw/zinc/31/31/32/1042313132.db2.gz KWDIZBFJMPVMAC-SFHVURJKSA-N -1 0 338.407 3.522 20 0 EHADRM O=C(Nc1ccccc1-n1cccn1)c1cc(F)c([O-])c(Cl)c1 ZINC000184255612 1042366260 /nfs/dbraw/zinc/36/62/60/1042366260.db2.gz BWFCGJLETPHOLX-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM C[C@@H](NC(=O)[C@H](C(=O)[O-])C(C)(C)C)c1ccc(-c2cccnc2)cc1 ZINC000663038720 1042376462 /nfs/dbraw/zinc/37/64/62/1042376462.db2.gz JGXBXUNVIQSVQH-CXAGYDPISA-N -1 0 340.423 3.673 20 0 EHADRM C[C@H](NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c1ccc(-c2cccnc2)cc1 ZINC000663038722 1042376763 /nfs/dbraw/zinc/37/67/63/1042376763.db2.gz JGXBXUNVIQSVQH-GUYCJALGSA-N -1 0 340.423 3.673 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000659183869 1042378849 /nfs/dbraw/zinc/37/88/49/1042378849.db2.gz ZLBSXNIPPFLLJC-SMDDNHRTSA-N -1 0 349.818 3.705 20 0 EHADRM CC[C@H](C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccc(F)cc1 ZINC000653328094 1042394779 /nfs/dbraw/zinc/39/47/79/1042394779.db2.gz DJQYQDHGQBHJSU-JCGIZDLHSA-N -1 0 341.382 3.749 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(OC(F)F)cc2F)CCCCCC1 ZINC000663049746 1042395851 /nfs/dbraw/zinc/39/58/51/1042395851.db2.gz PGAIQCJDNQBYCD-UHFFFAOYSA-N -1 0 345.317 3.791 20 0 EHADRM Cc1cc(NC(=O)[C@]2(C(=O)[O-])CC2(C)C)ccc1Oc1ccncc1 ZINC000663052297 1042398221 /nfs/dbraw/zinc/39/82/21/1042398221.db2.gz RULPFRADIHYMMW-IBGZPJMESA-N -1 0 340.379 3.622 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)N[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000432260773 1042440894 /nfs/dbraw/zinc/44/08/94/1042440894.db2.gz WFQCONIEPKHCOU-PKOBYXMFSA-N -1 0 344.418 3.607 20 0 EHADRM COc1ccc([C@@H](C)CCNC(=O)c2cccc(Cl)c2[O-])cc1 ZINC001126182041 1042441784 /nfs/dbraw/zinc/44/17/84/1042441784.db2.gz UVOUDKAXYWEOCD-LBPRGKRZSA-N -1 0 333.815 3.978 20 0 EHADRM O=C([O-])C1(C(=O)Nc2nc(-c3cccc(Cl)c3)cs2)CCC1 ZINC000663101588 1042452143 /nfs/dbraw/zinc/45/21/43/1042452143.db2.gz SZYXOBPJSQAWMB-UHFFFAOYSA-N -1 0 336.800 3.657 20 0 EHADRM Cn1ccnc1Sc1ccccc1NC(=O)c1c([O-])cccc1F ZINC000184342297 1042467611 /nfs/dbraw/zinc/46/76/11/1042467611.db2.gz UAFVUQNOESEPGW-UHFFFAOYSA-N -1 0 343.383 3.668 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)CCCc2ccc(C)cc2)n1 ZINC000659185306 1042468608 /nfs/dbraw/zinc/46/86/08/1042468608.db2.gz NXBBZABUNCESNI-MRXNPFEDSA-N -1 0 343.427 3.579 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2ccc3ccn(C(F)F)c3c2)CC=CCC1 ZINC000663127253 1042477724 /nfs/dbraw/zinc/47/77/24/1042477724.db2.gz IJBGBLNCXDREGN-QGZVFWFLSA-N -1 0 334.322 3.786 20 0 EHADRM C[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1nc2ccccc2n1C ZINC000184423685 1042539095 /nfs/dbraw/zinc/53/90/95/1042539095.db2.gz HTAMNURFKGYCSU-VIFPVBQESA-N -1 0 347.777 3.562 20 0 EHADRM Cc1ccc(O[C@@H](C)CNC(=O)c2cc(F)c([O-])c(Cl)c2)cc1 ZINC000184453968 1042550131 /nfs/dbraw/zinc/55/01/31/1042550131.db2.gz HZEKFJRNCOQVQN-NSHDSACASA-N -1 0 337.778 3.690 20 0 EHADRM COC(=O)c1ccc(-c2noc(-c3ccc(Cl)cc3[O-])n2)cc1 ZINC000184860469 1042618181 /nfs/dbraw/zinc/61/81/81/1042618181.db2.gz VFGCHBUIJUJQJJ-UHFFFAOYSA-N -1 0 330.727 3.549 20 0 EHADRM O=C(Nc1ccccc1OC(F)(F)F)c1cc(F)c([O-])c(F)c1 ZINC000186441819 1042661839 /nfs/dbraw/zinc/66/18/39/1042661839.db2.gz RGUPSOAXYKBDEN-UHFFFAOYSA-N -1 0 333.212 3.821 20 0 EHADRM CC(C)Oc1ccc(NC(=O)c2cc(F)c([O-])c(F)c2)c(F)c1 ZINC000186720402 1042691108 /nfs/dbraw/zinc/69/11/08/1042691108.db2.gz CDBLNCWICSZBHR-UHFFFAOYSA-N -1 0 325.286 3.849 20 0 EHADRM CC[C@](C)([N-]S(=O)(=O)CCc1ccc(Cl)cc1)C(F)(F)F ZINC000521424873 1042719293 /nfs/dbraw/zinc/71/92/93/1042719293.db2.gz JRGDADCWYNBMNM-LBPRGKRZSA-N -1 0 343.798 3.533 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)NCC3(C(=O)[O-])CCC3)cc2s1 ZINC000663342882 1042725347 /nfs/dbraw/zinc/72/53/47/1042725347.db2.gz SKQOBNGEMZBZDI-UHFFFAOYSA-N -1 0 347.440 3.796 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1nc2c(s1)CCCC2 ZINC000186962943 1042733775 /nfs/dbraw/zinc/73/37/75/1042733775.db2.gz UIRVAHVSCNVTLE-UHFFFAOYSA-N -1 0 340.495 3.545 20 0 EHADRM CSc1ccc(NC(=O)NC[C@@H](C(=O)[O-])C2CCC2)cc1Cl ZINC000663347985 1042735425 /nfs/dbraw/zinc/73/54/25/1042735425.db2.gz CVNRWUWKQUTMKL-LLVKDONJSA-N -1 0 342.848 3.684 20 0 EHADRM O=C(Nc1nnc(/C=C/c2ccco2)s1)c1cc(F)c([O-])c(F)c1 ZINC000186980175 1042736048 /nfs/dbraw/zinc/73/60/48/1042736048.db2.gz IUAGFNNQVCVARX-ONEGZZNKSA-N -1 0 349.318 3.538 20 0 EHADRM Cc1nc(-c2ccc(C(=O)N=c3ccc(C4CC4)n[n-]3)s2)cs1 ZINC000636867724 1042841645 /nfs/dbraw/zinc/84/16/45/1042841645.db2.gz SZVRWMOYDKQMPJ-UHFFFAOYSA-N -1 0 342.449 3.522 20 0 EHADRM O=C([O-])[C@]1(CC(=O)Nc2cccc(SC(F)F)c2)CCSC1 ZINC000066966093 1042895628 /nfs/dbraw/zinc/89/56/28/1042895628.db2.gz RIUDYVQOFNTBIB-AWEZNQCLSA-N -1 0 347.408 3.538 20 0 EHADRM CCCCCc1ccc([N-]S(=O)(=O)c2c(C)nn(C)c2C)cc1 ZINC000007709516 1042912303 /nfs/dbraw/zinc/91/23/03/1042912303.db2.gz PFPJXTVNDAKEQN-UHFFFAOYSA-N -1 0 335.473 3.570 20 0 EHADRM Cc1cccc2c1CCC[C@H]2NC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC001167822248 1042921474 /nfs/dbraw/zinc/92/14/74/1042921474.db2.gz GGDYVMUJZNSGTP-GOSISDBHSA-N -1 0 347.418 3.694 20 0 EHADRM O=C([O-])[C@@H](CC(=O)NC[C@H](c1ccccc1)C1CC1)c1ccccc1 ZINC000644847686 1042967731 /nfs/dbraw/zinc/96/77/31/1042967731.db2.gz RCQHNPMFKPGXHF-RBUKOAKNSA-N -1 0 337.419 3.555 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnccc2-c2ccccc2)cc1F ZINC000432357515 1042995196 /nfs/dbraw/zinc/99/51/96/1042995196.db2.gz LSADDCGOMUKCSU-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1ccc(C(=O)[O-])cc1F ZINC000432120995 1043013748 /nfs/dbraw/zinc/01/37/48/1043013748.db2.gz TWRCOUCZRSADMR-GHMZBOCLSA-N -1 0 345.345 3.811 20 0 EHADRM CN(C(=O)N=c1nc(-c2ccsc2)[n-]s1)[C@H]1CCC(C)(C)C1 ZINC000432413208 1043121399 /nfs/dbraw/zinc/12/13/99/1043121399.db2.gz LHZXAJZPDAXFHT-NSHDSACASA-N -1 0 336.486 3.731 20 0 EHADRM Cc1cc([C@H](C)NC(=O)N(C)C2(C(=O)[O-])CCCCC2)c(C)s1 ZINC000324180167 1043274712 /nfs/dbraw/zinc/27/47/12/1043274712.db2.gz XDAQTQZMDVEQTD-LBPRGKRZSA-N -1 0 338.473 3.855 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000324581599 1043323059 /nfs/dbraw/zinc/32/30/59/1043323059.db2.gz GJOGLRBUHYIFHA-UHFFFAOYSA-N -1 0 328.368 3.806 20 0 EHADRM CC(C)c1ccccc1NC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000326525151 1043428845 /nfs/dbraw/zinc/42/88/45/1043428845.db2.gz VHPZHJAHSJMOBC-GOSISDBHSA-N -1 0 338.407 3.853 20 0 EHADRM C[C@@H](CCNC(=O)N(C)C1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC000326555150 1043436143 /nfs/dbraw/zinc/43/61/43/1043436143.db2.gz AIZOZCZRZNNYEF-HNNXBMFYSA-N -1 0 332.444 3.609 20 0 EHADRM CC(=O)c1cccc(O)c1NC(=O)CCCCC(=O)c1ccccc1 ZINC001143529511 1043589462 /nfs/dbraw/zinc/58/94/62/1043589462.db2.gz DTFOYGNZTIPJBL-UHFFFAOYSA-N -1 0 339.391 3.977 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1SC(F)(F)F ZINC000319956524 1043813068 /nfs/dbraw/zinc/81/30/68/1043813068.db2.gz HUNUHFUIXPSFAY-VHSXEESVSA-N -1 0 345.342 3.904 20 0 EHADRM CC[C@@H](C(=O)N(C)[C@@H](CC)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000653336908 1043844794 /nfs/dbraw/zinc/84/47/94/1043844794.db2.gz OURFASRQCPJWCH-OLZOCXBDSA-N -1 0 331.334 3.521 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)CSc2ccc3c(c2)CCC3)cc1 ZINC000013440226 1043913091 /nfs/dbraw/zinc/91/30/91/1043913091.db2.gz VLULZKHGYODZPW-UHFFFAOYSA-N -1 0 341.432 3.533 20 0 EHADRM CC(C)c1ccc(S(=O)(=O)[N-]c2nccc(-c3ccco3)n2)cc1 ZINC000163257751 1043921317 /nfs/dbraw/zinc/92/13/17/1043921317.db2.gz BLBNHQJYTYDDJD-UHFFFAOYSA-N -1 0 343.408 3.661 20 0 EHADRM CC(C)c1ccccc1S(=O)(=O)[N-]c1cnn([C@@H](C)C2CC2)c1 ZINC000344496927 1044074593 /nfs/dbraw/zinc/07/45/93/1044074593.db2.gz IYAHWPDBTYZIGY-ZDUSSCGKSA-N -1 0 333.457 3.778 20 0 EHADRM CCc1csc(CC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)n1 ZINC000283365035 1044113566 /nfs/dbraw/zinc/11/35/66/1044113566.db2.gz YUZCVCXNIOFFIR-UHFFFAOYSA-N -1 0 344.358 3.515 20 0 EHADRM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc3ccc(C)nc32)c1 ZINC000066235504 1044195604 /nfs/dbraw/zinc/19/56/04/1044195604.db2.gz PQDHCSAOPXESSM-UHFFFAOYSA-N -1 0 340.404 3.547 20 0 EHADRM O=C(N=c1[n-]nc([C@@H]2CCCc3ccccc32)s1)c1cccs1 ZINC000432627032 1044540481 /nfs/dbraw/zinc/54/04/81/1044540481.db2.gz ORNQSHREWYLBJE-CYBMUJFWSA-N -1 0 341.461 3.742 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2F)o1 ZINC000432641142 1044572866 /nfs/dbraw/zinc/57/28/66/1044572866.db2.gz AOWLDBZKUWQLHK-UHFFFAOYSA-N -1 0 348.193 3.599 20 0 EHADRM Cc1cc([N-]c2nc(C3CCOCC3)ns2)nn1[C@H](C)C1CC1 ZINC000663790421 1044574361 /nfs/dbraw/zinc/57/43/61/1044574361.db2.gz AYHPJEXEEUSNDU-LLVKDONJSA-N -1 0 333.461 3.652 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C1 ZINC000318719509 1044804668 /nfs/dbraw/zinc/80/46/68/1044804668.db2.gz KQDDDOQYSAIPBF-QMMMGPOBSA-N -1 0 349.189 3.851 20 0 EHADRM CC[C@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000183557930 1125604024 /nfs/dbraw/zinc/60/40/24/1125604024.db2.gz SSBHTBWYRQGHJO-QWRGUYRKSA-N -1 0 331.503 3.533 20 0 EHADRM O=C([O-])CC1(CC(=O)N[C@H]2C[C@H]2c2cccc(F)c2)CCCCC1 ZINC000620752960 1125694845 /nfs/dbraw/zinc/69/48/45/1125694845.db2.gz GRYAATLQNGTOEO-HOTGVXAUSA-N -1 0 333.403 3.613 20 0 EHADRM CC[C@](C)(CC(=O)[O-])C(=O)Nc1cc(Cl)c(Cl)cc1OC ZINC000634831849 1125714465 /nfs/dbraw/zinc/71/44/65/1125714465.db2.gz LCPXDHKNDVBPQC-CQSZACIVSA-N -1 0 334.199 3.832 20 0 EHADRM CC(C)Oc1cccc(CN(C)C(=O)c2s[n-]c(=O)c2Cl)c1 ZINC000622464538 1126706614 /nfs/dbraw/zinc/70/66/14/1126706614.db2.gz PZOOWVISZBYTKP-UHFFFAOYSA-N -1 0 340.832 3.562 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)C[C@]1(C(=O)[O-])CCSC1)c1ccccc1 ZINC000622602096 1126728116 /nfs/dbraw/zinc/72/81/16/1126728116.db2.gz REZDPXITBXPNMV-HNAYVOBHSA-N -1 0 349.496 3.878 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccnn2[C@H](C)C2CC2)c(C)c1 ZINC000171342552 1126762957 /nfs/dbraw/zinc/76/29/57/1126762957.db2.gz QIVCUPDMAZZLOB-CQSZACIVSA-N -1 0 333.457 3.580 20 0 EHADRM CC(=C([O-])c1ccc(F)cc1)S(=O)(=O)c1ccccc1Cl ZINC000081906574 1126785949 /nfs/dbraw/zinc/78/59/49/1126785949.db2.gz NKBNHQPSBBJTLJ-JTQLQIEISA-N -1 0 326.776 3.524 20 0 EHADRM Cc1n[nH]cc1S(=O)(=O)[N-]c1ccccc1SC1CCCC1 ZINC000336851534 1126811955 /nfs/dbraw/zinc/81/19/55/1126811955.db2.gz VQIWMCKPRRFCSX-UHFFFAOYSA-N -1 0 337.470 3.554 20 0 EHADRM COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])cc1OC ZINC000336866885 1126812898 /nfs/dbraw/zinc/81/28/98/1126812898.db2.gz YFUAAOMEGUUZOV-UHFFFAOYSA-N -1 0 342.178 3.969 20 0 EHADRM N#CCOc1ccccc1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000185472815 1126906912 /nfs/dbraw/zinc/90/69/12/1126906912.db2.gz YERXOXZMCUUHAN-UHFFFAOYSA-N -1 0 337.162 3.854 20 0 EHADRM O=C(NC[C@H]1CCc2cccnc21)c1c([O-])cc(Cl)cc1Cl ZINC000623314638 1126913207 /nfs/dbraw/zinc/91/32/07/1126913207.db2.gz GDYTUNUTJBKVMI-SNVBAGLBSA-N -1 0 337.206 3.554 20 0 EHADRM CC(C)C[C@H]1CCCN1C(=O)N=c1[n-]nc(Cc2ccccc2)s1 ZINC000623513441 1126970429 /nfs/dbraw/zinc/97/04/29/1126970429.db2.gz KUWSFPOMCZWBSA-OAHLLOKOSA-N -1 0 344.484 3.593 20 0 EHADRM CCn1ncc2ccc([N-]S(=O)(=O)c3cccc(C)c3Cl)cc21 ZINC000179984682 1127107211 /nfs/dbraw/zinc/10/72/11/1127107211.db2.gz XCTGAEWVJHDBAJ-UHFFFAOYSA-N -1 0 349.843 3.819 20 0 EHADRM Cc1nc(-c2ccccc2)sc1[N-]S(=O)(=O)c1ccccc1 ZINC000181757090 1127294517 /nfs/dbraw/zinc/29/45/17/1127294517.db2.gz IMVQKXPBNWBHPD-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)c(C)o1 ZINC000182774894 1127347028 /nfs/dbraw/zinc/34/70/28/1127347028.db2.gz VBMMVDKJRUAQIH-UHFFFAOYSA-N -1 0 335.303 3.596 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(Br)ccc2C)c(C)o1 ZINC000182781947 1127347629 /nfs/dbraw/zinc/34/76/29/1127347629.db2.gz UMBPGKXEOOMRRW-UHFFFAOYSA-N -1 0 344.230 3.768 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(C)c(OCC(F)F)c2)c(C)o1 ZINC000182792255 1127347798 /nfs/dbraw/zinc/34/77/98/1127347798.db2.gz AQGVKCYJAUDEJG-UHFFFAOYSA-N -1 0 345.367 3.650 20 0 EHADRM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3cc(C)oc3C)cc2)n[nH]1 ZINC000182816444 1127349618 /nfs/dbraw/zinc/34/96/18/1127349618.db2.gz VSVLMPWADJVGNF-UHFFFAOYSA-N -1 0 347.396 3.521 20 0 EHADRM CCCCO[C@@H]1C[C@H](NC(=O)c2cc(F)c(F)c([O-])c2F)C1(C)C ZINC000183035547 1127359862 /nfs/dbraw/zinc/35/98/62/1127359862.db2.gz OFFHQMXCZWWWFQ-NWDGAFQWSA-N -1 0 345.361 3.523 20 0 EHADRM C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H](CC1CCC1)c1ccccc1 ZINC000184831618 1127413693 /nfs/dbraw/zinc/41/36/93/1127413693.db2.gz FHPMWVBQNVQKAI-BXUZGUMPSA-N -1 0 335.391 3.788 20 0 EHADRM CCCCCS(=O)(=O)[N-][C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000184875166 1127415698 /nfs/dbraw/zinc/41/56/98/1127415698.db2.gz IADOUAOELFUAIC-LBPRGKRZSA-N -1 0 345.333 3.678 20 0 EHADRM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc3ccsc32)cc1 ZINC000386312124 1127660374 /nfs/dbraw/zinc/66/03/74/1127660374.db2.gz MDGXPALXYLKUND-UHFFFAOYSA-N -1 0 331.418 3.905 20 0 EHADRM CC(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000024431942 1127705999 /nfs/dbraw/zinc/70/59/99/1127705999.db2.gz RSNOESGAQPZPNJ-UHFFFAOYSA-N -1 0 338.454 3.534 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnc(C)o3)cc2)s1 ZINC000029433256 1127800806 /nfs/dbraw/zinc/80/08/06/1127800806.db2.gz ARTSCNZRJIUICA-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)c2cccc(C)c2)n1 ZINC000046303289 1127974815 /nfs/dbraw/zinc/97/48/15/1127974815.db2.gz PXTYIUBANHSHQQ-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM CCOCCOCc1cccc(NC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000046687231 1127987774 /nfs/dbraw/zinc/98/77/74/1127987774.db2.gz KYIHQZPMILEQBL-UHFFFAOYSA-N -1 0 349.814 3.851 20 0 EHADRM Cc1ccc(S[C@H](C)C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000347506079 1128023039 /nfs/dbraw/zinc/02/30/39/1128023039.db2.gz AHCDBFAGSRUXMM-HUUCEWRRSA-N -1 0 335.469 3.579 20 0 EHADRM O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1c(F)cc(F)cc1F ZINC000060436846 1128101524 /nfs/dbraw/zinc/10/15/24/1128101524.db2.gz GOQQHKOZBXRLCH-UHFFFAOYSA-N -1 0 339.697 3.697 20 0 EHADRM CC(C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000073532641 1128392043 /nfs/dbraw/zinc/39/20/43/1128392043.db2.gz YWKUJSNEUHFARW-MRVPVSSYSA-N -1 0 341.326 3.782 20 0 EHADRM CC(C)CCO[C@H]1CC[C@H](N=c2[n-]nc(-c3ccccn3)s2)CC1 ZINC000624560003 1128394070 /nfs/dbraw/zinc/39/40/70/1128394070.db2.gz IVVQSDVZKIGWMU-SHTZXODSSA-N -1 0 346.500 3.808 20 0 EHADRM CC(C)COc1ccccc1NC(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000055150865 1128506726 /nfs/dbraw/zinc/50/67/26/1128506726.db2.gz GLFHLBBOQAENRA-MRXNPFEDSA-N -1 0 341.407 3.918 20 0 EHADRM CC(C)COc1ccccc1NC(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC000055150863 1128506848 /nfs/dbraw/zinc/50/68/48/1128506848.db2.gz GLFHLBBOQAENRA-INIZCTEOSA-N -1 0 341.407 3.918 20 0 EHADRM CC1(C)C[C@H](N=c2[n-]nc(C3CCOCC3)s2)c2ccccc21 ZINC000338680853 1128514373 /nfs/dbraw/zinc/51/43/73/1128514373.db2.gz HKMYMPDEDYCKOE-HNNXBMFYSA-N -1 0 329.469 3.689 20 0 EHADRM Cc1cccc(CO[N-]C(=O)[C@H](C)Oc2ccc3ccccc3c2)n1 ZINC001168634920 1128519611 /nfs/dbraw/zinc/51/96/11/1128519611.db2.gz XMVNJUXLVDTJPI-HNNXBMFYSA-N -1 0 336.391 3.559 20 0 EHADRM CC[C@@H](C)C(=O)[N-]S(=O)(=O)[C@H](C)c1ccc(Cl)cc1Cl ZINC000772792643 1128537195 /nfs/dbraw/zinc/53/71/95/1128537195.db2.gz RLFUOCRMESOOID-RKDXNWHRSA-N -1 0 338.256 3.547 20 0 EHADRM CC(C(=O)[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C)=C1CCCC1 ZINC000765911302 1128680205 /nfs/dbraw/zinc/68/02/05/1128680205.db2.gz SYJLYMHIGLMIFQ-UHFFFAOYSA-N -1 0 335.469 3.616 20 0 EHADRM CC[C@H](NC(=O)c1cc(O)c2ccccc2c1)c1c(C)nn(C)c1C ZINC000354581307 1128757364 /nfs/dbraw/zinc/75/73/64/1128757364.db2.gz RUQOOFOOIXGNRC-KRWDZBQOSA-N -1 0 337.423 3.777 20 0 EHADRM O=C(Nc1cccc(Br)c1F)c1cc(F)cc(F)c1[O-] ZINC001168672500 1128773879 /nfs/dbraw/zinc/77/38/79/1128773879.db2.gz MJEIUEMLJUBOGG-UHFFFAOYSA-N -1 0 346.102 3.824 20 0 EHADRM O=C(c1c([O-])cc(F)cc1F)N1CC[C@@H](CSc2ccccc2)C1 ZINC000075199865 1128849311 /nfs/dbraw/zinc/84/93/11/1128849311.db2.gz OXTYTXPASVYSIJ-GFCCVEGCSA-N -1 0 349.402 3.925 20 0 EHADRM CC(C)(CC(=O)Nc1ccc(Cl)c(Br)c1)C(=O)[O-] ZINC000084726804 1120035181 /nfs/dbraw/zinc/03/51/81/1120035181.db2.gz YMVRZNGEKYFRNB-UHFFFAOYSA-N -1 0 334.597 3.542 20 0 EHADRM C[C@H]1CCN(C(=O)Cc2ccccc2C(=O)[O-])[C@@H](c2ccco2)C1 ZINC000262222242 1120182577 /nfs/dbraw/zinc/18/25/77/1120182577.db2.gz VNPVNYSUGHDKRM-XJKSGUPXSA-N -1 0 327.380 3.520 20 0 EHADRM CCCCOc1ccc(CN[C@H](CC)c2nc(C(=O)[O-])c[nH]2)cc1 ZINC000904065133 1120351464 /nfs/dbraw/zinc/35/14/64/1120351464.db2.gz NWWTXRJOOIVJCN-OAHLLOKOSA-N -1 0 331.416 3.528 20 0 EHADRM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c1 ZINC000185231748 1120405476 /nfs/dbraw/zinc/40/54/76/1120405476.db2.gz UWNNZMAKXQZFFE-LLVKDONJSA-N -1 0 348.399 3.815 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc(F)c(F)c([O-])c2F)c2c(O)cccc21 ZINC000186297956 1120454246 /nfs/dbraw/zinc/45/42/46/1120454246.db2.gz PSSWLMSUSSSBFJ-MRVPVSSYSA-N -1 0 337.297 3.669 20 0 EHADRM C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1)C1CC1 ZINC000176519896 1120549831 /nfs/dbraw/zinc/54/98/31/1120549831.db2.gz DGJMJFUPJWPEDP-CYBMUJFWSA-N -1 0 335.469 3.585 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cncnc2-c2ccccc2)cc1 ZINC000494569224 1120597822 /nfs/dbraw/zinc/59/78/22/1120597822.db2.gz GKNJMABDZBTJNA-UHFFFAOYSA-N -1 0 339.420 3.507 20 0 EHADRM Cc1occc1S([O-])=CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000189608230 1120600170 /nfs/dbraw/zinc/60/01/70/1120600170.db2.gz SRECYDBGBWVHTC-QHCPKHFHSA-N -1 0 333.453 3.523 20 0 EHADRM O=C([O-])CCCCNC(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC000262327967 1120899754 /nfs/dbraw/zinc/89/97/54/1120899754.db2.gz GFZCYOMAYZIKMW-IBGZPJMESA-N -1 0 339.435 3.774 20 0 EHADRM O=C(Nc1ccccc1COCc1ccccc1)c1ncccc1[O-] ZINC000495037240 1120937754 /nfs/dbraw/zinc/93/77/54/1120937754.db2.gz KAWFABJWEHJGAP-UHFFFAOYSA-N -1 0 334.375 3.756 20 0 EHADRM CCC(CC)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000762072857 1121091686 /nfs/dbraw/zinc/09/16/86/1121091686.db2.gz WDPWXVXECOLBSC-LLVKDONJSA-N -1 0 331.865 3.526 20 0 EHADRM [O-]c1c(Cl)cccc1-c1nc(Cc2c[nH]c3ncccc23)no1 ZINC000762244008 1121209910 /nfs/dbraw/zinc/20/99/10/1121209910.db2.gz GWKABWQENABHGS-UHFFFAOYSA-N -1 0 326.743 3.563 20 0 EHADRM O=C(Cc1coc(-c2cccs2)n1)Nc1cccc(Cl)c1[O-] ZINC000077011534 1128974300 /nfs/dbraw/zinc/97/43/00/1128974300.db2.gz XCMDELUXQFWYIP-UHFFFAOYSA-N -1 0 334.784 3.943 20 0 EHADRM CNC(=O)Oc1cccc(NC(=O)c2cc(O)c3ccccc3c2)c1 ZINC000495702888 1121371431 /nfs/dbraw/zinc/37/14/31/1121371431.db2.gz OGCDPVZEGSFXNU-UHFFFAOYSA-N -1 0 336.347 3.516 20 0 EHADRM O=C(OCc1cccc(-n2cccn2)c1)c1ccc([O-])c(Cl)c1 ZINC000762826062 1121450196 /nfs/dbraw/zinc/45/01/96/1121450196.db2.gz YCXFUQREFNUZHS-UHFFFAOYSA-N -1 0 328.755 3.588 20 0 EHADRM O=C(CNc1cccc(Cl)c1)Nc1cc(Cl)c([O-])cc1F ZINC000672486588 1128990059 /nfs/dbraw/zinc/99/00/59/1128990059.db2.gz QVOOGFFLDDQFCR-UHFFFAOYSA-N -1 0 329.158 3.889 20 0 EHADRM CC(C)(C)CCCC(=O)Nc1ccccc1-n1ccc(C(=O)[O-])n1 ZINC000236602408 1121457709 /nfs/dbraw/zinc/45/77/09/1121457709.db2.gz MUFDFCIRRBAMDB-UHFFFAOYSA-N -1 0 329.400 3.725 20 0 EHADRM CCC[C@@H](C(=O)NCc1ccc(C(=O)[O-])c(OC)c1)c1ccccc1 ZINC000236841918 1121465505 /nfs/dbraw/zinc/46/55/05/1121465505.db2.gz YEVOZRHIPFOENS-MRXNPFEDSA-N -1 0 341.407 3.594 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cc(Cl)ccc1Cl ZINC000237055562 1121471701 /nfs/dbraw/zinc/47/17/01/1121471701.db2.gz RIRKUITWILEUET-UHFFFAOYSA-N -1 0 338.190 3.964 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1ccccc1C(C)(C)C ZINC000237060618 1121472683 /nfs/dbraw/zinc/47/26/83/1121472683.db2.gz WKYGJDXSYNCDNB-UHFFFAOYSA-N -1 0 325.408 3.955 20 0 EHADRM Cc1ccc(C(C)(C)CC(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000237636025 1121489281 /nfs/dbraw/zinc/48/92/81/1121489281.db2.gz FDLKTARKOCFURI-UHFFFAOYSA-N -1 0 325.408 3.677 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccccc1 ZINC000237631084 1121489369 /nfs/dbraw/zinc/48/93/69/1121489369.db2.gz KFWTYFBEGDCFIF-LIRRHRJNSA-N -1 0 337.419 3.757 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)cc1C(=O)[O-] ZINC000237705231 1121492904 /nfs/dbraw/zinc/49/29/04/1121492904.db2.gz YBIGPKCHAKGDKR-CABCVRRESA-N -1 0 331.318 3.714 20 0 EHADRM Cc1ccc(SCCC(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1 ZINC000237865375 1121496811 /nfs/dbraw/zinc/49/68/11/1121496811.db2.gz RECYIMZSHPENHZ-PVAVHDDUSA-N -1 0 347.480 3.722 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)c2csc3c2CCCC3)cc1 ZINC000237959243 1121499628 /nfs/dbraw/zinc/49/96/28/1121499628.db2.gz ABTYKRYSTNXEIJ-JXMROGBWSA-N -1 0 327.405 3.977 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)CSc2ccccc2Cl)c1 ZINC000238102896 1121502460 /nfs/dbraw/zinc/50/24/60/1121502460.db2.gz CHRZYTIRFGOJMB-UHFFFAOYSA-N -1 0 339.775 3.908 20 0 EHADRM Cc1cccc(C)c1OCCCSc1n[n-]c(=NC2CC2)s1 ZINC000495831910 1121537289 /nfs/dbraw/zinc/53/72/89/1121537289.db2.gz YGDKITWDQLZKMW-UHFFFAOYSA-N -1 0 335.498 3.712 20 0 EHADRM CCN(CC)C(=O)c1ccc([N-]c2nnc(C(C)(C)C)o2)c(OC)c1 ZINC001212459601 1128998057 /nfs/dbraw/zinc/99/80/57/1128998057.db2.gz HTBRWDPAODZTMF-UHFFFAOYSA-N -1 0 346.431 3.601 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)n[nH]1 ZINC000322423924 1121648763 /nfs/dbraw/zinc/64/87/63/1121648763.db2.gz WIVAUMOUMMEARF-UHFFFAOYSA-N -1 0 347.362 3.527 20 0 EHADRM COCc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000026547215 1121664733 /nfs/dbraw/zinc/66/47/33/1121664733.db2.gz LFVAOFKAKDJGAX-UHFFFAOYSA-N -1 0 346.235 3.941 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cn2)ccc1F ZINC000062545605 1121709291 /nfs/dbraw/zinc/70/92/91/1121709291.db2.gz OFWDLYSSEMUPAW-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCCC[C@@H]2c2ccncc2)s1 ZINC000915870747 1121715656 /nfs/dbraw/zinc/71/56/56/1121715656.db2.gz PSWXIQKCIBWNJN-CYBMUJFWSA-N -1 0 330.409 3.599 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000242718748 1121742551 /nfs/dbraw/zinc/74/25/51/1121742551.db2.gz DAQWKXLSLYQCJT-UHFFFAOYSA-N -1 0 327.424 3.859 20 0 EHADRM O=C(Nc1ccc2[nH]c(-c3ccncc3)nc2c1)c1c([O-])cccc1F ZINC001649020707 1121758032 /nfs/dbraw/zinc/75/80/32/1121758032.db2.gz RZSAAYQJZZUPIV-UHFFFAOYSA-N -1 0 348.337 3.722 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1cccs1 ZINC000013388805 1129021084 /nfs/dbraw/zinc/02/10/84/1129021084.db2.gz FPUSXEIPZSTEQW-LLVKDONJSA-N -1 0 343.326 3.713 20 0 EHADRM CCCc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000499571585 1129025217 /nfs/dbraw/zinc/02/52/17/1129025217.db2.gz LSEGPDXREQWEBL-UHFFFAOYSA-N -1 0 339.370 3.922 20 0 EHADRM CCCS(=O)(=O)[N-]c1nc2ccc(SC(F)F)cc2s1 ZINC000916108398 1122051080 /nfs/dbraw/zinc/05/10/80/1122051080.db2.gz NXUCVVRPTLFYIW-UHFFFAOYSA-N -1 0 338.426 3.763 20 0 EHADRM COC(=O)Nc1cccc(NC(=O)c2ccc([O-])c(Cl)c2)c1C ZINC000496601470 1122131298 /nfs/dbraw/zinc/13/12/98/1122131298.db2.gz ABTSOFNREBJMMY-UHFFFAOYSA-N -1 0 334.759 3.785 20 0 EHADRM COc1ccc(CC2CCN(C(=O)c3ccc(F)cc3[O-])CC2)cc1 ZINC000123608124 1122258599 /nfs/dbraw/zinc/25/85/99/1122258599.db2.gz CVRHAFULIYEAHJ-UHFFFAOYSA-N -1 0 343.398 3.635 20 0 EHADRM O=C(Nc1ccc(OCC2CCOCC2)cc1)c1ccc(F)cc1[O-] ZINC000123871022 1122267666 /nfs/dbraw/zinc/26/76/66/1122267666.db2.gz MIUKWLXJTQRJDV-UHFFFAOYSA-N -1 0 345.370 3.589 20 0 EHADRM C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1c([O-])cccc1F ZINC000124072871 1122274300 /nfs/dbraw/zinc/27/43/00/1122274300.db2.gz HLCYAJGGJQEXNJ-ZBEGNZNMSA-N -1 0 349.789 3.787 20 0 EHADRM COc1c(F)cc([N-]S(=O)(=O)c2cc(C)ccc2Cl)cc1F ZINC000124110894 1122275084 /nfs/dbraw/zinc/27/50/84/1122275084.db2.gz PBFJTKMUHGHLDP-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM CC(=O)Nc1c(C)ccc(NC(=O)CC2(CC(=O)[O-])CCCC2)c1C ZINC000077589259 1129046060 /nfs/dbraw/zinc/04/60/60/1129046060.db2.gz RPDOLGNSHUTDSR-UHFFFAOYSA-N -1 0 346.427 3.626 20 0 EHADRM CCCCS(=O)(=O)[N-]C(=O)c1sc2cccc(C)c2c1Cl ZINC000916788964 1122348751 /nfs/dbraw/zinc/34/87/51/1122348751.db2.gz DHSSMXKNLZUHAC-UHFFFAOYSA-N -1 0 345.873 3.723 20 0 EHADRM O=C(CCCC1CCCCC1)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000916794319 1122353398 /nfs/dbraw/zinc/35/33/98/1122353398.db2.gz VKMKXFOZZSFSEJ-UHFFFAOYSA-N -1 0 341.448 3.522 20 0 EHADRM CCOc1ccc(C(=O)[O-])cc1Nc1ncc(Cl)nc1Cl ZINC001214268656 1122505288 /nfs/dbraw/zinc/50/52/88/1122505288.db2.gz NVANOYKABRBLHP-UHFFFAOYSA-N -1 0 328.155 3.624 20 0 EHADRM O=C([O-])c1cccc2oc(/C=C\c3ccc(-n4cccn4)cc3)nc21 ZINC000670369753 1122579933 /nfs/dbraw/zinc/57/99/33/1122579933.db2.gz ZTMVHKABGYLRTJ-YFHOEESVSA-N -1 0 331.331 3.882 20 0 EHADRM Cc1ccc(-c2[n-][nH]c(=NC(=O)[C@@H](C)Cc3ccc(C)cc3)c2C)o1 ZINC000497747466 1122655323 /nfs/dbraw/zinc/65/53/23/1122655323.db2.gz HOLDRTXIQZKCFO-ZDUSSCGKSA-N -1 0 337.423 3.834 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2nc3c(s2)CCCC3)c1 ZINC000497847432 1122682349 /nfs/dbraw/zinc/68/23/49/1122682349.db2.gz GUOWXNPFGRQFBP-UHFFFAOYSA-N -1 0 342.873 3.785 20 0 EHADRM CCOc1ccccc1[N-]S(=O)(=O)c1cc(C)ccc1Cl ZINC000498007989 1122729965 /nfs/dbraw/zinc/72/99/65/1122729965.db2.gz DWSZQDMIGDGMDM-UHFFFAOYSA-N -1 0 325.817 3.848 20 0 EHADRM COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2C)c(C)c1 ZINC000170708249 1122787865 /nfs/dbraw/zinc/78/78/65/1122787865.db2.gz RWOQNHRGFCADTN-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM Cc1ccc([C@@H](C)N(C)C(=O)c2cccc(CC(=O)[O-])c2)c(C)c1 ZINC000630289557 1122811160 /nfs/dbraw/zinc/81/11/60/1122811160.db2.gz SINWMBYPYMMLAH-OAHLLOKOSA-N -1 0 325.408 3.764 20 0 EHADRM Cc1ccc(-c2cc(C(=O)OCc3nc4ccccc4nc3C)n[nH]2)o1 ZINC000919329906 1123022676 /nfs/dbraw/zinc/02/26/76/1123022676.db2.gz XBYREQRLXANGOA-UHFFFAOYSA-N -1 0 348.362 3.587 20 0 EHADRM Cn1cc(CCNC(=O)c2cccc(Cl)c2[O-])c2ccc(F)cc21 ZINC001128335348 1129102424 /nfs/dbraw/zinc/10/24/24/1129102424.db2.gz NMCSLECXOFLRLY-UHFFFAOYSA-N -1 0 346.789 3.649 20 0 EHADRM C[C@H](Cn1ncc2ccccc21)C(=O)Nc1cccc(Cl)c1[O-] ZINC000556952271 1123231828 /nfs/dbraw/zinc/23/18/28/1123231828.db2.gz VNOBIUXIEWJOGQ-LLVKDONJSA-N -1 0 329.787 3.670 20 0 EHADRM CC1(C)CN(Cc2c([O-])nnn2-c2ccccc2)[C@H]1c1ccccc1 ZINC000919949311 1123236664 /nfs/dbraw/zinc/23/66/64/1123236664.db2.gz QUGYMWCDJXPLKC-SFHVURJKSA-N -1 0 334.423 3.556 20 0 EHADRM COC(=O)c1cccnc1Nc1c(Cl)cc(C(=O)[O-])cc1Cl ZINC001214509192 1129109660 /nfs/dbraw/zinc/10/96/60/1129109660.db2.gz PDODIZPCMMMYLA-UHFFFAOYSA-N -1 0 341.150 3.617 20 0 EHADRM O=C(NC1(c2ccccc2)CCOCC1)c1cc(F)cc(Cl)c1[O-] ZINC000557083037 1123315921 /nfs/dbraw/zinc/31/59/21/1123315921.db2.gz ZDTNWUUCCOPIAN-UHFFFAOYSA-N -1 0 349.789 3.620 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccno2)cc1F ZINC000499335029 1123354103 /nfs/dbraw/zinc/35/41/03/1123354103.db2.gz UKDCDTBTVAVYPR-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccccc1-c1ccno1 ZINC000499336809 1123354970 /nfs/dbraw/zinc/35/49/70/1123354970.db2.gz AJGMBGPTCSDQKJ-UHFFFAOYSA-N -1 0 334.784 3.796 20 0 EHADRM CCOCCOCc1cccc(NC(=O)c2c([O-])cccc2Cl)c1 ZINC000920454358 1123370677 /nfs/dbraw/zinc/37/06/77/1123370677.db2.gz KYTXIVDXMJPQEK-UHFFFAOYSA-N -1 0 349.814 3.851 20 0 EHADRM O=C(NCc1ccc(OC2CCCC2)nc1)c1ccc([O-])c(Cl)c1 ZINC000077278513 1123543624 /nfs/dbraw/zinc/54/36/24/1123543624.db2.gz XBCXPJLJHYVRLY-UHFFFAOYSA-N -1 0 346.814 3.692 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCCc2ccc3ccccc3c2)s1 ZINC000238016562 1123555736 /nfs/dbraw/zinc/55/57/36/1123555736.db2.gz DBKVBSCEWSHBRP-UHFFFAOYSA-N -1 0 325.389 3.572 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H](c2ccccc2F)C2CCCC2)o1 ZINC000238027499 1123556791 /nfs/dbraw/zinc/55/67/91/1123556791.db2.gz LTQMYUYPRFGJKX-INIZCTEOSA-N -1 0 331.343 3.778 20 0 EHADRM CC(C)Cc1nc(=N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)s[n-]1 ZINC000543032852 1129132477 /nfs/dbraw/zinc/13/24/77/1129132477.db2.gz YFUXPQBMRVAEAM-CABCVRRESA-N -1 0 335.448 3.630 20 0 EHADRM CCC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)c(F)cc2F)c1 ZINC000135394567 1123607696 /nfs/dbraw/zinc/60/76/96/1123607696.db2.gz FQBRUMGYOTYWMJ-UHFFFAOYSA-N -1 0 339.363 3.667 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)ccn1)c1ccc(C(F)(F)F)cc1 ZINC000135788045 1123645729 /nfs/dbraw/zinc/64/57/29/1123645729.db2.gz DNLJNOXAOMYBSC-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM CSCCCCC(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000610042970 1123721124 /nfs/dbraw/zinc/72/11/24/1123721124.db2.gz PUTJARIMYUIRSR-UHFFFAOYSA-N -1 0 341.889 3.752 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N([C@H](C)C(C)C)C2CC2)n1 ZINC000080474255 1123755564 /nfs/dbraw/zinc/75/55/64/1123755564.db2.gz ZKLKEMTZTPFIGE-CYBMUJFWSA-N -1 0 345.418 3.675 20 0 EHADRM CCc1ccc(O)c([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000080580691 1123758136 /nfs/dbraw/zinc/75/81/36/1123758136.db2.gz PMDXDTKUURNZGO-UHFFFAOYSA-N -1 0 329.780 3.548 20 0 EHADRM O=C(Nc1c(=O)[nH][n-]c1-c1ccccc1)C1[C@H]2CCCCCC[C@H]12 ZINC000615281515 1123772392 /nfs/dbraw/zinc/77/23/92/1123772392.db2.gz QOWMRWLADSXBOK-KBPBESRZSA-N -1 0 325.412 3.937 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N[C@@H](C)[C@H](C)C(=O)[O-] ZINC000263478243 1123891298 /nfs/dbraw/zinc/89/12/98/1123891298.db2.gz UBBZWYGGZLBEFJ-JQWIXIFHSA-N -1 0 325.364 3.733 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000324813722 1123901071 /nfs/dbraw/zinc/90/10/71/1123901071.db2.gz DNCXOMXVCWAACV-BAQGIRSFSA-N -1 0 346.726 3.598 20 0 EHADRM O=C(Nc1ccc(-c2nc[nH]n2)cc1)c1c([O-])cc(Cl)cc1Cl ZINC000081959240 1123935712 /nfs/dbraw/zinc/93/57/12/1123935712.db2.gz MGPKNLLVPXNNJP-UHFFFAOYSA-N -1 0 349.177 3.736 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1ccc(-c2ccccc2F)o1 ZINC000238132426 1123989182 /nfs/dbraw/zinc/98/91/82/1123989182.db2.gz SEJPXCDPUHOUII-UHFFFAOYSA-N -1 0 333.359 3.851 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)C[C@@]34CCCC[C@@H]3C4(F)F)[nH][n-]2)o1 ZINC000616823649 1124041811 /nfs/dbraw/zinc/04/18/11/1124041811.db2.gz ULEXJROVAFWFHM-BBRMVZONSA-N -1 0 335.354 3.554 20 0 EHADRM CCCC[C@@H](C)C(=O)Nc1cccc(-n2ncc(C(=O)[O-])c2C)c1 ZINC000263541116 1124044950 /nfs/dbraw/zinc/04/49/50/1124044950.db2.gz QVYCLHBIGMSYNN-GFCCVEGCSA-N -1 0 329.400 3.644 20 0 EHADRM CC[C@@H](C)N(CC)C(=O)c1cccc(C(=O)N(CC)[C@H](C)CC)c1[O-] ZINC000616978183 1124060878 /nfs/dbraw/zinc/06/08/78/1124060878.db2.gz VMGPOKJZHPCTLP-HUUCEWRRSA-N -1 0 348.487 3.913 20 0 EHADRM O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000180776335 1124071080 /nfs/dbraw/zinc/07/10/80/1124071080.db2.gz FABLYNITTJMKRK-ORCRQEGFSA-N -1 0 348.698 3.758 20 0 EHADRM CCc1oc(C(=O)NC2(Cc3cccc(F)c3)CCC2)cc1C(=O)[O-] ZINC000263567980 1124514287 /nfs/dbraw/zinc/51/42/87/1124514287.db2.gz GVVROJDCNTURIO-UHFFFAOYSA-N -1 0 345.370 3.575 20 0 EHADRM COc1ccccc1[C@@H](CC(C)C)NC(=O)CC1(C(=O)[O-])CCC1 ZINC000263579463 1124693485 /nfs/dbraw/zinc/69/34/85/1124693485.db2.gz UTOMBKFBHJVPJL-OAHLLOKOSA-N -1 0 333.428 3.544 20 0 EHADRM CSc1cc(C([O-])=C(C#N)C(=O)c2c(C)[nH]c3ccccc32)ccn1 ZINC000181395769 1124806995 /nfs/dbraw/zinc/80/69/95/1124806995.db2.gz BDZFQQRZXKEHRS-CQSZACIVSA-N -1 0 349.415 3.799 20 0 EHADRM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(SC)cc1 ZINC000649467245 1124895982 /nfs/dbraw/zinc/89/59/82/1124895982.db2.gz DIJXDAHYPOCLIT-UHFFFAOYSA-N -1 0 343.857 3.871 20 0 EHADRM COc1cccc([C@H](C)C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC000181711046 1125018276 /nfs/dbraw/zinc/01/82/76/1125018276.db2.gz BEXUALVQOVUPAD-YKWSONSWSA-N -1 0 325.364 3.535 20 0 EHADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccccc1SCC=C(C)C ZINC000181908840 1125080219 /nfs/dbraw/zinc/08/02/19/1125080219.db2.gz NGIWZOMECGVXKI-ZDUSSCGKSA-N -1 0 341.498 3.603 20 0 EHADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)C[C@H](C)c1ccc(C(C)C)cc1 ZINC000181960323 1125093969 /nfs/dbraw/zinc/09/39/69/1125093969.db2.gz JZVBIUSQZUSPKM-KBPBESRZSA-N -1 0 325.474 3.548 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC000450533064 1125144626 /nfs/dbraw/zinc/14/46/26/1125144626.db2.gz SPGABEZKSZXTRB-HIFRSBDPSA-N -1 0 341.382 3.932 20 0 EHADRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)C[C@H](C)CC(C)C ZINC000070034316 1125164028 /nfs/dbraw/zinc/16/40/28/1125164028.db2.gz CRIANKFYALDEKA-LLVKDONJSA-N -1 0 342.417 3.621 20 0 EHADRM CCCC[C@H](CC)CC(=O)[N-]S(=O)(=O)c1cc(C)sc1C ZINC000735399267 1131342091 /nfs/dbraw/zinc/34/20/91/1131342091.db2.gz KCRJIKDYWYZXFR-ZDUSSCGKSA-N -1 0 331.503 3.776 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)CSCC(=O)[O-])cc2)cc1 ZINC000619536797 1125362830 /nfs/dbraw/zinc/36/28/30/1125362830.db2.gz KEYKISOZJMMPBP-UHFFFAOYSA-N -1 0 331.393 3.544 20 0 EHADRM CC(C)c1ccc(CNC(=O)C[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000619886926 1125421483 /nfs/dbraw/zinc/42/14/83/1125421483.db2.gz GYZSQTPWQKDVPM-GOSISDBHSA-N -1 0 325.408 3.685 20 0 EHADRM O=C(NC[C@@H](c1ccccc1)C(F)(F)F)c1c([O-])cc(F)cc1F ZINC000681630506 1129195662 /nfs/dbraw/zinc/19/56/62/1129195662.db2.gz UTGUGQLXSMWYKG-NSHDSACASA-N -1 0 345.267 3.746 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(c2ccc3ccc(Br)cc3n2)C1 ZINC000422559520 1129201392 /nfs/dbraw/zinc/20/13/92/1129201392.db2.gz SGBUJRPBJNDXPH-CMPLNLGQSA-N -1 0 349.228 3.544 20 0 EHADRM COc1c(F)ccc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)c1F ZINC001212505673 1129216579 /nfs/dbraw/zinc/21/65/79/1129216579.db2.gz XLSJQXUNLDKRBX-UHFFFAOYSA-N -1 0 349.742 3.617 20 0 EHADRM CCOc1cc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)ccc1C ZINC000066965917 1129229786 /nfs/dbraw/zinc/22/97/86/1129229786.db2.gz KINOTVYQKXADFP-MRXNPFEDSA-N -1 0 327.380 3.591 20 0 EHADRM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000478843163 1129278035 /nfs/dbraw/zinc/27/80/35/1129278035.db2.gz UINNYGNEAKHOFH-CYBMUJFWSA-N -1 0 341.382 3.965 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)c2ccc(-c3ccccc3)o2)s1 ZINC000543142693 1129278201 /nfs/dbraw/zinc/27/82/01/1129278201.db2.gz FEDUDIXNFJPNML-UHFFFAOYSA-N -1 0 327.409 3.770 20 0 EHADRM O=C(c1n[n-]c2ccccc2c1=O)N1CCCC[C@H]1Cc1ccccc1 ZINC000735653260 1131370685 /nfs/dbraw/zinc/37/06/85/1131370685.db2.gz JFIYVLLNFJFKHL-INIZCTEOSA-N -1 0 347.418 3.573 20 0 EHADRM CCc1c([N-]S(=O)(=O)c2ccccc2C)cnn1-c1ccccc1 ZINC000466478526 1129479487 /nfs/dbraw/zinc/47/94/87/1129479487.db2.gz FERWUWZDUUFGET-UHFFFAOYSA-N -1 0 341.436 3.544 20 0 EHADRM CC[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccc(OC)cc1 ZINC000013181744 1129508921 /nfs/dbraw/zinc/50/89/21/1129508921.db2.gz INTJXAUFZJOHCT-OAHLLOKOSA-N -1 0 330.340 3.865 20 0 EHADRM O=S(=O)([O-])c1cccc(NCCc2ccc3ccccc3c2)c1 ZINC001168733325 1129641080 /nfs/dbraw/zinc/64/10/80/1129641080.db2.gz IZSQENNEGZCSLA-UHFFFAOYSA-N -1 0 327.405 3.741 20 0 EHADRM Fc1ccccc1COc1cccc(CN=c2[n-]c(C3CC3)no2)c1 ZINC000347761913 1129697682 /nfs/dbraw/zinc/69/76/82/1129697682.db2.gz USAGACWIDXEWLA-UHFFFAOYSA-N -1 0 339.370 3.699 20 0 EHADRM O=C([O-])C1(CC(=O)NC(c2ccccc2)c2ccccc2)CCCC1 ZINC000392296929 1129709353 /nfs/dbraw/zinc/70/93/53/1129709353.db2.gz UPYXGLIHKNUFDN-UHFFFAOYSA-N -1 0 337.419 3.927 20 0 EHADRM CO[C@@H](C)CS(=O)(=O)[N-]c1ccccc1Oc1ccc(C)cc1 ZINC000509104729 1129750707 /nfs/dbraw/zinc/75/07/07/1129750707.db2.gz YBVRGLJOZXMFIK-AWEZNQCLSA-N -1 0 335.425 3.564 20 0 EHADRM CCC(F)(F)C[N-]S(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000625454547 1129883779 /nfs/dbraw/zinc/88/37/79/1129883779.db2.gz FEOPOEXEOTXDGO-UHFFFAOYSA-N -1 0 338.228 3.520 20 0 EHADRM O=C(Nc1ccc2c(c1)NC(=O)CC2)c1ccc2[n-]c(=S)oc2c1 ZINC000073987045 1129886058 /nfs/dbraw/zinc/88/60/58/1129886058.db2.gz HKYJPKSOSZXRPS-UHFFFAOYSA-N -1 0 339.376 3.627 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000673898143 1129896276 /nfs/dbraw/zinc/89/62/76/1129896276.db2.gz CDZSNPZYHXZCEZ-CVEARBPZSA-N -1 0 345.439 3.916 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)ccc1O)c1ccc2ccccc2c1 ZINC000003115873 1129911129 /nfs/dbraw/zinc/91/11/29/1129911129.db2.gz NVLXUQBORQSMOK-UHFFFAOYSA-N -1 0 333.796 4.000 20 0 EHADRM CCOC(=O)Cc1ccc(Nc2ccc(C(=O)[O-])c(F)c2F)cc1 ZINC001212514331 1129925409 /nfs/dbraw/zinc/92/54/09/1129925409.db2.gz NOPWXIWWOKQRIQ-UHFFFAOYSA-N -1 0 335.306 3.512 20 0 EHADRM COC(=O)C1(c2ccc(Nc3ccc(C(=O)[O-])c(F)c3F)cc2)CC1 ZINC001212515192 1129929004 /nfs/dbraw/zinc/92/90/04/1129929004.db2.gz RAVJYJIDQIQTBK-UHFFFAOYSA-N -1 0 347.317 3.611 20 0 EHADRM COc1ccc(CN=c2[n-]nc(CC(C)C)o2)cc1OCCC(C)C ZINC000347891492 1129989915 /nfs/dbraw/zinc/98/99/15/1129989915.db2.gz YOVVXILICUBISB-UHFFFAOYSA-N -1 0 347.459 3.736 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)c(F)c1 ZINC000171750689 1130084274 /nfs/dbraw/zinc/08/42/74/1130084274.db2.gz RKONJXGIJVVMJI-UHFFFAOYSA-N -1 0 347.415 3.866 20 0 EHADRM COC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)no2)c(F)c1 ZINC000171867738 1130094359 /nfs/dbraw/zinc/09/43/59/1130094359.db2.gz JQHAFQKUGGJXIG-UHFFFAOYSA-N -1 0 340.310 3.520 20 0 EHADRM COc1ccc(Cl)cc1CC(=O)Nc1cccc(Cl)c1[O-] ZINC000172356589 1130126883 /nfs/dbraw/zinc/12/68/83/1130126883.db2.gz GWSIKBRRDPMQQG-UHFFFAOYSA-N -1 0 326.179 3.889 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)c1O ZINC000674755211 1130188371 /nfs/dbraw/zinc/18/83/71/1130188371.db2.gz SVYLLDHFXWAFTO-UHFFFAOYSA-N -1 0 345.342 3.829 20 0 EHADRM O=S(=O)([N-]c1nc2ccccc2[nH]1)c1ccc(Cl)cc1Cl ZINC000675129752 1130262742 /nfs/dbraw/zinc/26/27/42/1130262742.db2.gz KEKLLDPTKHXGGE-UHFFFAOYSA-N -1 0 342.207 3.671 20 0 EHADRM CSc1ccncc1[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000675435689 1130372942 /nfs/dbraw/zinc/37/29/42/1130372942.db2.gz PYANWEUCWXVYPP-UHFFFAOYSA-N -1 0 346.836 3.705 20 0 EHADRM O=C([O-])CCN(C(=O)Cc1coc2ccc3ccccc3c12)C1CC1 ZINC000675969758 1130512385 /nfs/dbraw/zinc/51/23/85/1130512385.db2.gz OSVUZTRCXXXAGL-UHFFFAOYSA-N -1 0 337.375 3.594 20 0 EHADRM C[C@H](C(=O)N1CCC[C@H](CC(=O)[O-])C1)c1c(Cl)cccc1Cl ZINC000676217380 1130546424 /nfs/dbraw/zinc/54/64/24/1130546424.db2.gz SMLGLUUUOGOQOR-WDEREUQCSA-N -1 0 344.238 3.810 20 0 EHADRM CCCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000727951827 1130612659 /nfs/dbraw/zinc/61/26/59/1130612659.db2.gz MYIIZPIDMCYJHJ-CYBMUJFWSA-N -1 0 329.437 3.627 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-])c1csc2ccccc21 ZINC000730019335 1130667864 /nfs/dbraw/zinc/66/78/64/1130667864.db2.gz ISWQIYXSYQQZLL-FPMFFAJLSA-N -1 0 329.421 3.746 20 0 EHADRM C[C@H](NC(=O)c1n[n-]c2ccccc2c1=O)c1cccc2ccccc21 ZINC000731861852 1130850802 /nfs/dbraw/zinc/85/08/02/1130850802.db2.gz QOIDOFKEJHKBCD-ZDUSSCGKSA-N -1 0 343.386 3.980 20 0 EHADRM O=C(Nc1ccc2c3c(cccc31)CC2)c1n[n-]c2ccccc2c1=O ZINC000731896800 1130859286 /nfs/dbraw/zinc/85/92/86/1130859286.db2.gz MGERTRHNVIWOLZ-UHFFFAOYSA-N -1 0 341.370 3.840 20 0 EHADRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1oc2c(cccc2C)c1C ZINC000732903010 1130971827 /nfs/dbraw/zinc/97/18/27/1130971827.db2.gz FABDASKVXDSVNO-NSHDSACASA-N -1 0 337.441 3.545 20 0 EHADRM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(F)ccc1O ZINC000176948874 1131154738 /nfs/dbraw/zinc/15/47/38/1131154738.db2.gz IZGGDUULSUTCER-UHFFFAOYSA-N -1 0 327.277 3.822 20 0 EHADRM CCOC1CCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CC1 ZINC000177098502 1131159544 /nfs/dbraw/zinc/15/95/44/1131159544.db2.gz ANUYXRKTWBFMCN-UHFFFAOYSA-N -1 0 333.815 3.840 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000734080653 1131194227 /nfs/dbraw/zinc/19/42/27/1131194227.db2.gz UFNALXGBRRVBEU-LLVKDONJSA-N -1 0 349.905 3.813 20 0 EHADRM O=C(CC/C=C\c1ccccc1)[N-]S(=O)(=O)CC1CCCCC1 ZINC000739174780 1131492502 /nfs/dbraw/zinc/49/25/02/1131492502.db2.gz PKIHEOWODRMWNR-XFFZJAGNSA-N -1 0 335.469 3.506 20 0 EHADRM CC(C)c1ccc(CCNC(=O)CC2(CC(=O)[O-])CCCC2)cc1 ZINC000743412141 1131917122 /nfs/dbraw/zinc/91/71/22/1131917122.db2.gz YWUJGDDNAYPBMT-UHFFFAOYSA-N -1 0 331.456 3.894 20 0 EHADRM CC(C)[C@@H](NC(=O)c1cccc(Br)c1[O-])c1ccccn1 ZINC000743475101 1131928286 /nfs/dbraw/zinc/92/82/86/1131928286.db2.gz MUFNZCDCRABDBM-CQSZACIVSA-N -1 0 349.228 3.677 20 0 EHADRM CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000744108777 1132020520 /nfs/dbraw/zinc/02/05/20/1132020520.db2.gz LKHXUZJXQLNUKW-AWEZNQCLSA-N -1 0 348.468 3.646 20 0 EHADRM COc1ccc(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)cc1F ZINC001173865808 1132158993 /nfs/dbraw/zinc/15/89/93/1132158993.db2.gz KUBYEBMAPBVSLF-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM COCc1cccc(Nc2ccc3ccccc3c2S(=O)(=O)[O-])c1 ZINC001174094776 1132226162 /nfs/dbraw/zinc/22/61/62/1132226162.db2.gz OWRKRIQCFKNUKD-UHFFFAOYSA-N -1 0 343.404 3.977 20 0 EHADRM COc1ccc(Nc2cc(Cl)c(C)cc2S(=O)(=O)[O-])c(F)c1 ZINC001174146001 1132253967 /nfs/dbraw/zinc/25/39/67/1132253967.db2.gz QHGWHMRDHKFSHP-UHFFFAOYSA-N -1 0 345.779 3.786 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2cccc(-n3cccn3)c2)c(Cl)c1 ZINC001174302837 1132303166 /nfs/dbraw/zinc/30/31/66/1132303166.db2.gz KFAJEGFPCXJUHE-UHFFFAOYSA-N -1 0 349.799 3.516 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H](C)C2CCCCC2)c(F)c1 ZINC000745966065 1132340853 /nfs/dbraw/zinc/34/08/53/1132340853.db2.gz CSRMMMHUFCFOTF-CYBMUJFWSA-N -1 0 341.448 3.546 20 0 EHADRM COc1cc(Br)nc(Nc2cccc(/C=C/C(=O)[O-])c2)c1 ZINC001174495985 1132371956 /nfs/dbraw/zinc/37/19/56/1132371956.db2.gz ZIARRNLUQQHYLW-AATRIKPKSA-N -1 0 349.184 3.694 20 0 EHADRM COC(=O)c1ccc(Cl)c(Nc2cccc(/C=C/C(=O)[O-])c2)c1 ZINC001174496294 1132372047 /nfs/dbraw/zinc/37/20/47/1132372047.db2.gz GGMPFZBKFNJCFL-VMPITWQZSA-N -1 0 331.755 3.968 20 0 EHADRM COC(=O)c1ccc(Nc2cccc(/C=C/C(=O)[O-])c2)c(Cl)c1 ZINC001174497317 1132372824 /nfs/dbraw/zinc/37/28/24/1132372824.db2.gz MMXZDGDULLVJKN-VMPITWQZSA-N -1 0 331.755 3.968 20 0 EHADRM CCCCCc1nnc([N-]C(=O)c2c(C)noc2C(F)(F)F)s1 ZINC000746151603 1132385864 /nfs/dbraw/zinc/38/58/64/1132385864.db2.gz JMXODIBXQVPHHQ-UHFFFAOYSA-N -1 0 348.350 3.838 20 0 EHADRM CCOc1ccc2c(c1)[C@H](NC(=O)c1ccc([O-])c(Cl)c1)CCO2 ZINC000187537784 1132430965 /nfs/dbraw/zinc/43/09/65/1132430965.db2.gz PVYMBRNPFSHOHR-OAHLLOKOSA-N -1 0 347.798 3.698 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ccnc2ccc(Cl)cc21 ZINC001174671091 1132432409 /nfs/dbraw/zinc/43/24/09/1132432409.db2.gz RMTYAZQPPKDMCG-UHFFFAOYSA-N -1 0 328.755 3.761 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc(O)cc1C(F)(F)F ZINC001174676280 1132433156 /nfs/dbraw/zinc/43/31/56/1132433156.db2.gz HUWOVJBBBSXKTP-UHFFFAOYSA-N -1 0 327.258 3.861 20 0 EHADRM COc1cc(Nc2cncc(N3CCCCC3)c2)ccc1C(=O)[O-] ZINC001174682535 1132434710 /nfs/dbraw/zinc/43/47/10/1132434710.db2.gz BQMOUBQPCFQMIJ-UHFFFAOYSA-N -1 0 327.384 3.522 20 0 EHADRM CCOC(=O)c1cc(C)sc1Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001174681461 1132434751 /nfs/dbraw/zinc/43/47/51/1132434751.db2.gz UIYDDJUOQPWRMK-UHFFFAOYSA-N -1 0 335.381 3.684 20 0 EHADRM COc1cc(Nc2cnc(Br)cc2C)ccc1C(=O)[O-] ZINC001174682120 1132435025 /nfs/dbraw/zinc/43/50/25/1132435025.db2.gz DTOZUDSRPZCZBM-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM COc1cc(Nc2ccnn2Cc2ccc(F)cc2)ccc1C(=O)[O-] ZINC001174680786 1132435114 /nfs/dbraw/zinc/43/51/14/1132435114.db2.gz AMBMZLXMNQYFSJ-UHFFFAOYSA-N -1 0 341.342 3.521 20 0 EHADRM CCOC(=O)c1cc(C)ccc1Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001174685651 1132435779 /nfs/dbraw/zinc/43/57/79/1132435779.db2.gz YBUFEJGOHHCTIN-UHFFFAOYSA-N -1 0 329.352 3.622 20 0 EHADRM Cc1cnn(Cc2ccccc2F)c1Nc1ccc(C(=O)[O-])s1 ZINC001174808720 1132479310 /nfs/dbraw/zinc/47/93/10/1132479310.db2.gz WBJCHRYQCMBPSG-UHFFFAOYSA-N -1 0 331.372 3.882 20 0 EHADRM CCc1ccccc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000193169713 1132480177 /nfs/dbraw/zinc/48/01/77/1132480177.db2.gz DACBRXPDUFAEGS-INIZCTEOSA-N -1 0 349.789 3.987 20 0 EHADRM COCCCOc1ccc(Nc2ccc(C(=O)[O-])s2)cc1F ZINC001174811066 1132480463 /nfs/dbraw/zinc/48/04/63/1132480463.db2.gz WFLUXOGYSVHWLN-UHFFFAOYSA-N -1 0 325.361 3.744 20 0 EHADRM CC(C)(C)OC(=O)N1CCC(=CNc2ccc(C(=O)[O-])cc2)CC1 ZINC001174847239 1132485405 /nfs/dbraw/zinc/48/54/05/1132485405.db2.gz UWUDEGPIGSSQOQ-UHFFFAOYSA-N -1 0 332.400 3.712 20 0 EHADRM Nc1cccc(S(=O)(=O)[N-]c2cccc3c4ccccc4oc32)c1 ZINC001174856309 1132488970 /nfs/dbraw/zinc/48/89/70/1132488970.db2.gz QZPPNMMXPONSDF-UHFFFAOYSA-N -1 0 338.388 3.969 20 0 EHADRM CCCCc1ccc(-c2noc(-c3nc[n-]c3C(=O)OCC)n2)cc1 ZINC001212766888 1132489942 /nfs/dbraw/zinc/48/99/42/1132489942.db2.gz DIIUWEAIQZWQKQ-UHFFFAOYSA-N -1 0 340.383 3.646 20 0 EHADRM Cc1ccc(Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)cc1N ZINC001174936314 1132512710 /nfs/dbraw/zinc/51/27/10/1132512710.db2.gz GFQJBZWDUYLORF-UHFFFAOYSA-N -1 0 328.393 3.721 20 0 EHADRM Cc1cnn(-c2ccc(F)cc2)c1Nc1ccc(CC(=O)[O-])cc1 ZINC001174950121 1132516141 /nfs/dbraw/zinc/51/61/41/1132516141.db2.gz OMLPXNLZVRAXLY-UHFFFAOYSA-N -1 0 325.343 3.691 20 0 EHADRM Cc1ccc(NC(=O)N2CCCCC[C@@H]2C(=O)[O-])cc1C(F)(F)F ZINC000392539197 1132520367 /nfs/dbraw/zinc/52/03/67/1132520367.db2.gz YAFLUNROORTQGY-CYBMUJFWSA-N -1 0 344.333 3.875 20 0 EHADRM CCC[C@H](C(=O)[N-]S(=O)(=O)CC1CCCCC1)c1ccccc1 ZINC000746445765 1132534325 /nfs/dbraw/zinc/53/43/25/1132534325.db2.gz HBHMIPZDSIHGCD-KRWDZBQOSA-N -1 0 337.485 3.597 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1c(N)cc(Br)cc1F ZINC001174981518 1132534601 /nfs/dbraw/zinc/53/46/01/1132534601.db2.gz DYOBYJYZANWZLJ-UHFFFAOYSA-N -1 0 339.164 3.921 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1-n1cc(N)c2cc(Br)ccc21 ZINC001174983397 1132535276 /nfs/dbraw/zinc/53/52/76/1132535276.db2.gz LEZYAPYQMHCGSL-UHFFFAOYSA-N -1 0 345.196 3.982 20 0 EHADRM O=S(=O)([O-])c1cccc(Nc2cc(C(F)(F)F)ccc2F)c1 ZINC001175076180 1132561087 /nfs/dbraw/zinc/56/10/87/1132561087.db2.gz IRZSGMWVAVVNMU-UHFFFAOYSA-N -1 0 335.278 3.835 20 0 EHADRM Cc1cnn(-c2ccc(F)cc2)c1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175158862 1132570476 /nfs/dbraw/zinc/57/04/76/1132570476.db2.gz TXNYKYPEHPYJLB-UHFFFAOYSA-N -1 0 329.306 3.901 20 0 EHADRM Cc1cccc(-c2cc(Nc3ccc(C(=O)[O-])c(F)c3)n(C)n2)c1 ZINC001175159090 1132570879 /nfs/dbraw/zinc/57/08/79/1132570879.db2.gz ZLPOLIVNBAIMLY-UHFFFAOYSA-N -1 0 325.343 3.976 20 0 EHADRM O=C([O-])c1ccc(Nc2ccnn2Cc2cccc(F)c2)cc1F ZINC001175159811 1132571444 /nfs/dbraw/zinc/57/14/44/1132571444.db2.gz AGPQBIBWIUNFNE-UHFFFAOYSA-N -1 0 329.306 3.651 20 0 EHADRM CC1(C)COC(c2ccc(Nc3ccc(C(=O)[O-])c(F)c3)cc2)=N1 ZINC001175162367 1132586313 /nfs/dbraw/zinc/58/63/13/1132586313.db2.gz WCURSIAKOATWID-UHFFFAOYSA-N -1 0 328.343 3.823 20 0 EHADRM Cc1ccnc(Br)c1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175216280 1132597685 /nfs/dbraw/zinc/59/76/85/1132597685.db2.gz ZOWBUSKJMHCRRY-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM Cc1cc(Nc2ccc(F)c(C(=O)[O-])c2)cc(Br)n1 ZINC001175217188 1132597938 /nfs/dbraw/zinc/59/79/38/1132597938.db2.gz PXHROKCCYKAYHM-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM O=C([O-])c1cc(Nc2c(O)cccc2Br)ccc1F ZINC001175220650 1132598550 /nfs/dbraw/zinc/59/85/50/1132598550.db2.gz VGYGOVBNSFXBHQ-UHFFFAOYSA-N -1 0 326.121 3.736 20 0 EHADRM Cc1cnn(-c2cccc(F)c2)c1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175220964 1132598613 /nfs/dbraw/zinc/59/86/13/1132598613.db2.gz UZXAZNSKDIUQOQ-UHFFFAOYSA-N -1 0 329.306 3.901 20 0 EHADRM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1ccccc1OC1CCC1 ZINC001168914356 1132605455 /nfs/dbraw/zinc/60/54/55/1132605455.db2.gz LDRJOUYLDGHONS-UHFFFAOYSA-N -1 0 349.390 3.762 20 0 EHADRM O=C(Nc1ccc(-n2ccc(=O)[nH]2)cc1)[C@@H]1CCCC[C@@H]1C1CC1 ZINC001168921576 1132606037 /nfs/dbraw/zinc/60/60/37/1132606037.db2.gz DKELUNHNVKFFAX-IAGOWNOFSA-N -1 0 325.412 3.733 20 0 EHADRM COC(=O)c1csc(C)c1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175314555 1132634721 /nfs/dbraw/zinc/63/47/21/1132634721.db2.gz HFMIRTHBMVJYDQ-UHFFFAOYSA-N -1 0 325.773 3.938 20 0 EHADRM COc1cccc(-n2nccc2Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001175316150 1132636059 /nfs/dbraw/zinc/63/60/59/1132636059.db2.gz UIICBQJFYZJZCA-UHFFFAOYSA-N -1 0 343.770 3.976 20 0 EHADRM COC(=O)c1cnc(Nc2ccc(C(=O)[O-])c(Cl)c2)c(Cl)c1 ZINC001175317030 1132636926 /nfs/dbraw/zinc/63/69/26/1132636926.db2.gz RMYIKYUQIYCIFS-UHFFFAOYSA-N -1 0 341.150 3.617 20 0 EHADRM CNc1ccc(C(=O)OC)cc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175319410 1132637005 /nfs/dbraw/zinc/63/70/05/1132637005.db2.gz XJYJHJASIPZFFB-UHFFFAOYSA-N -1 0 334.759 3.610 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(N3CCC(O)CC3)cc2)cc1Cl ZINC001175319374 1132637093 /nfs/dbraw/zinc/63/70/93/1132637093.db2.gz VGVOPKMIUQUCIP-UHFFFAOYSA-N -1 0 346.814 3.743 20 0 EHADRM Nc1cn(-c2cccc(C(=O)[O-])c2)c2ccc(Br)cc12 ZINC001175328155 1132639912 /nfs/dbraw/zinc/63/99/12/1132639912.db2.gz CFHMIXSGYZVYJC-UHFFFAOYSA-N -1 0 331.169 3.673 20 0 EHADRM O=C([O-])c1cccc(Nc2cccc(I)c2)c1 ZINC001175329544 1132639980 /nfs/dbraw/zinc/63/99/80/1132639980.db2.gz NXBHPZKVDBWNRX-UHFFFAOYSA-N -1 0 339.132 3.733 20 0 EHADRM Nc1cc(Br)cc(F)c1Nc1cccc(C(=O)[O-])c1 ZINC001175331868 1132641146 /nfs/dbraw/zinc/64/11/46/1132641146.db2.gz PNGHQSQNSSLXPR-UHFFFAOYSA-N -1 0 325.137 3.612 20 0 EHADRM Cn1ncc2cc(Nc3c(Cl)c(F)[n-]c(=O)c3Cl)ccc21 ZINC001175420602 1132663580 /nfs/dbraw/zinc/66/35/80/1132663580.db2.gz DXLOUJGOXBONGW-UHFFFAOYSA-N -1 0 327.146 3.863 20 0 EHADRM Cc1cc(S(=O)(=O)[O-])c(Nc2ccc3nccnc3c2)cc1Cl ZINC001175490335 1132682376 /nfs/dbraw/zinc/68/23/76/1132682376.db2.gz AILSDIMESOINKH-UHFFFAOYSA-N -1 0 349.799 3.582 20 0 EHADRM C[C@H]1CCCC[C@H]1CC(=O)Nc1nccc(Br)c1[O-] ZINC001169382798 1132743003 /nfs/dbraw/zinc/74/30/03/1132743003.db2.gz KAQSXMWCVKSOLI-UWVGGRQHSA-N -1 0 327.222 3.705 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2ccc3ccncc3c2)c(Cl)c1 ZINC001175708607 1132754854 /nfs/dbraw/zinc/75/48/54/1132754854.db2.gz SVADIVVSGFEFEN-UHFFFAOYSA-N -1 0 334.784 3.879 20 0 EHADRM O=c1cc(CNc2nc(Cl)c(Cl)cc2C(F)(F)F)o[n-]1 ZINC001169481518 1132764291 /nfs/dbraw/zinc/76/42/91/1132764291.db2.gz GJZAWCAAJPVSSH-UHFFFAOYSA-N -1 0 328.077 3.713 20 0 EHADRM O=S(=O)([O-])c1cccc(Nc2ccc(-c3ccccc3)nc2)c1 ZINC001175833691 1132771450 /nfs/dbraw/zinc/77/14/50/1132771450.db2.gz ZXHKJBOCEAFSAH-UHFFFAOYSA-N -1 0 326.377 3.739 20 0 EHADRM O=C([O-])c1cncc(Nc2ncc3ccccc3c2Br)c1 ZINC001175840929 1132772354 /nfs/dbraw/zinc/77/23/54/1132772354.db2.gz UZOLZOXUAPPQIV-UHFFFAOYSA-N -1 0 344.168 3.834 20 0 EHADRM Nc1cccc(OCc2ccccc2)c1Nc1cncc(C(=O)[O-])c1 ZINC001175842521 1132773305 /nfs/dbraw/zinc/77/33/05/1132773305.db2.gz LJOSHGTURZOZKY-UHFFFAOYSA-N -1 0 335.363 3.685 20 0 EHADRM CC(=O)Nc1ccc(Nc2cncc(C(=O)[O-])c2)c(C(F)(F)F)c1 ZINC001175842523 1132773899 /nfs/dbraw/zinc/77/38/99/1132773899.db2.gz LKQLXOIHJRVZIL-UHFFFAOYSA-N -1 0 339.273 3.501 20 0 EHADRM C[C@H]1CCC[C@H](OCCCCCC(=O)NOCC(F)(F)F)C1 ZINC000766828692 1132856162 /nfs/dbraw/zinc/85/61/62/1132856162.db2.gz XYPOSDKJJSKCBL-STQMWFEESA-N -1 0 325.371 3.752 20 0 EHADRM CCOC(=O)c1c([N-]c2c(C)noc2C)onc1-c1ccccc1 ZINC001176178866 1132858025 /nfs/dbraw/zinc/85/80/25/1132858025.db2.gz ZUAJWZRAVSWOAW-UHFFFAOYSA-N -1 0 327.340 3.867 20 0 EHADRM Nc1ccc(OC(F)(F)F)cc1Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203331666 1132897146 /nfs/dbraw/zinc/89/71/46/1132897146.db2.gz GAABEMJHFDTQPK-UHFFFAOYSA-N -1 0 348.227 3.887 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(CCC(=O)[O-])CC1CC1 ZINC000766914692 1132913305 /nfs/dbraw/zinc/91/33/05/1132913305.db2.gz XHMYNOVJSAGNNE-LLVKDONJSA-N -1 0 341.860 3.534 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C/C(=O)N(CCC(=O)[O-])CC1CC1 ZINC000766920322 1132915203 /nfs/dbraw/zinc/91/52/03/1132915203.db2.gz MMKKGZFLLCQUBB-AUECHBEKSA-N -1 0 345.439 3.590 20 0 EHADRM COc1ccc(Nc2csc(C(=O)[O-])c2)cc1Br ZINC001176439648 1132929732 /nfs/dbraw/zinc/92/97/32/1132929732.db2.gz WBMBXGYKEASVCX-UHFFFAOYSA-N -1 0 328.187 3.961 20 0 EHADRM COC(=O)c1ccc(Nc2csc(C(=O)[O-])c2)cc1C(F)(F)F ZINC001176439918 1132929860 /nfs/dbraw/zinc/92/98/60/1132929860.db2.gz AEXDIQSWTIFUGM-UHFFFAOYSA-N -1 0 345.298 3.995 20 0 EHADRM COC(=O)c1cc(OC)c(Nc2csc(C(=O)[O-])c2)cc1Cl ZINC001176441172 1132930079 /nfs/dbraw/zinc/93/00/79/1132930079.db2.gz RGTQSAILMBIBFO-UHFFFAOYSA-N -1 0 341.772 3.639 20 0 EHADRM COC(=O)c1ccc(OC(F)F)c(-c2csc(C(=O)[O-])c2)c1 ZINC001206273079 1132940759 /nfs/dbraw/zinc/94/07/59/1132940759.db2.gz WAMIIFUSSBULNE-UHFFFAOYSA-N -1 0 328.292 3.501 20 0 EHADRM CCCCCCOc1ccc(C(=O)NC2(CC(=O)[O-])CCC2)cc1 ZINC000767067815 1132940954 /nfs/dbraw/zinc/94/09/54/1132940954.db2.gz RFISEFGJPXNRSI-UHFFFAOYSA-N -1 0 333.428 3.773 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000767095008 1132948689 /nfs/dbraw/zinc/94/86/89/1132948689.db2.gz CSZOIMSAAAOYPC-UHFFFAOYSA-N -1 0 336.388 3.839 20 0 EHADRM CC1CCC(=CC(=O)Nc2ccc3c(ccn3CC(=O)[O-])c2)CC1 ZINC000767138435 1132949381 /nfs/dbraw/zinc/94/93/81/1132949381.db2.gz QLFUHPFFNDUHHE-UHFFFAOYSA-N -1 0 326.396 3.801 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1sccc1SC(F)F ZINC000767118363 1132951512 /nfs/dbraw/zinc/95/15/12/1132951512.db2.gz OZSLQNPPRUXWEA-UHFFFAOYSA-N -1 0 337.413 3.828 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3ccc(Cn4ccnc4)cc3)cc2)CC1 ZINC001176587114 1132961074 /nfs/dbraw/zinc/96/10/74/1132961074.db2.gz RZVSZGATCJHRIY-UHFFFAOYSA-N -1 0 333.391 3.791 20 0 EHADRM Cc1cnc(Br)cc1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176590094 1132962556 /nfs/dbraw/zinc/96/25/56/1132962556.db2.gz RGGHKUIGHSQWOX-QPJJXVBHSA-N -1 0 333.185 3.994 20 0 EHADRM Nc1cc(Br)cc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1 ZINC001176591342 1132963704 /nfs/dbraw/zinc/96/37/04/1132963704.db2.gz YMBNBTKVKOFEQY-UHFFFAOYSA-N -1 0 347.212 3.891 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2cc(Br)cnc2F)cc1 ZINC001176591594 1132963756 /nfs/dbraw/zinc/96/37/56/1132963756.db2.gz MBDOGLIJNUXRLI-ZZXKWVIFSA-N -1 0 337.148 3.825 20 0 EHADRM COCCCOc1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC001176595108 1132963761 /nfs/dbraw/zinc/96/37/61/1132963761.db2.gz GTHKBTZLFSODBW-LFYBBSHMSA-N -1 0 327.380 3.943 20 0 EHADRM O=C([O-])c1ccc(Nc2cccc(F)c2OC[C@@H]2CCCO2)cc1 ZINC001176713779 1132995226 /nfs/dbraw/zinc/99/52/26/1132995226.db2.gz PXARIBHUVRPOCG-AWEZNQCLSA-N -1 0 331.343 3.825 20 0 EHADRM CC(C)=CCC/C(C)=C/CNC(=O)CSc1n[n-]c(=S)s1 ZINC001177345590 1133057732 /nfs/dbraw/zinc/05/77/32/1133057732.db2.gz DOFOGDDUHXKZRT-YRNVUSSQSA-N -1 0 343.543 3.728 20 0 EHADRM CCn1cc(Cl)c(NC(=O)c2cc(Cl)cc(Cl)c2[O-])n1 ZINC001178203519 1133142598 /nfs/dbraw/zinc/14/25/98/1133142598.db2.gz NCYAIWBKLBRNTF-UHFFFAOYSA-N -1 0 334.590 3.821 20 0 EHADRM CC(=O)c1cc(F)c([O-])c(NC(=O)[C@@H](C)Cc2ccccc2C)c1 ZINC001178432969 1133163761 /nfs/dbraw/zinc/16/37/61/1133163761.db2.gz ITPPPSVZNIIXDV-LBPRGKRZSA-N -1 0 329.371 3.860 20 0 EHADRM CC(=O)c1cc(F)c([O-])c(NC(=O)[C@]2(C)CCCc3ccccc32)c1 ZINC001178428790 1133168613 /nfs/dbraw/zinc/16/86/13/1133168613.db2.gz QGECODOWWVYKDU-HXUWFJFHSA-N -1 0 341.382 3.967 20 0 EHADRM Cc1ccc2c(c1)CCN2C(=O)c1cccc(Br)c1[O-] ZINC000773759300 1133187427 /nfs/dbraw/zinc/18/74/27/1133187427.db2.gz DDBFDLOFQHZMOQ-UHFFFAOYSA-N -1 0 332.197 3.666 20 0 EHADRM Cc1c(Cl)cc(NC(=O)[C@@H]2Cc3ccccc3O2)c([O-])c1Cl ZINC001178940779 1133214343 /nfs/dbraw/zinc/21/43/43/1133214343.db2.gz HZQQWSZCEWBBEX-ZDUSSCGKSA-N -1 0 338.190 3.950 20 0 EHADRM O=C(CNc1ccccc1Cl)Nc1ccc2[n-]c(=S)oc2c1 ZINC000769245569 1133250898 /nfs/dbraw/zinc/25/08/98/1133250898.db2.gz IODMUORNMWPWCX-UHFFFAOYSA-N -1 0 333.800 3.821 20 0 EHADRM CCC(=O)Nc1ccc(C)c(NC(=O)c2c([O-])cccc2Cl)c1 ZINC000769701204 1133331672 /nfs/dbraw/zinc/33/16/72/1133331672.db2.gz HHZUTWRTKDFGOL-UHFFFAOYSA-N -1 0 332.787 3.955 20 0 EHADRM Cc1ccc(N2CCOC2=O)cc1NC(=O)c1c([O-])cccc1Cl ZINC000769933400 1133369070 /nfs/dbraw/zinc/36/90/70/1133369070.db2.gz ZFYNIMSLBILNEH-UHFFFAOYSA-N -1 0 346.770 3.563 20 0 EHADRM CCOc1ccccc1N(C)Cc1ncc(Br)cc1O ZINC001180896333 1133432744 /nfs/dbraw/zinc/43/27/44/1133432744.db2.gz CXORKCSTCSRIRX-UHFFFAOYSA-N -1 0 337.217 3.585 20 0 EHADRM CC(=O)Nc1ccc(NC(=O)c2cc(F)c([O-])c(Cl)c2)cc1C ZINC000770824765 1133472138 /nfs/dbraw/zinc/47/21/38/1133472138.db2.gz RYOBVHKTOZMVOV-UHFFFAOYSA-N -1 0 336.750 3.704 20 0 EHADRM COC(=O)Nc1ccccc1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000771505974 1133567357 /nfs/dbraw/zinc/56/73/57/1133567357.db2.gz RCFQFHNHODXFDE-UHFFFAOYSA-N -1 0 338.722 3.615 20 0 EHADRM O=S(=O)([N-]c1ccc2ncccc2c1)c1c[nH]c2cccc(F)c21 ZINC000771533105 1133571150 /nfs/dbraw/zinc/57/11/50/1133571150.db2.gz SLGHGRGYBNRZLB-UHFFFAOYSA-N -1 0 341.367 3.656 20 0 EHADRM O=C(Nc1ccccc1[S-])C1(c2ccccc2)CCC(=O)CC1 ZINC001182902231 1133746450 /nfs/dbraw/zinc/74/64/50/1133746450.db2.gz YHZSPTNSKFPERZ-UHFFFAOYSA-N -1 0 325.433 3.995 20 0 EHADRM COc1ccc([C@H](NC(=O)Cc2ccc([S-])cc2)C2CC2)cc1 ZINC001183190676 1133777466 /nfs/dbraw/zinc/77/74/66/1133777466.db2.gz XDYIDZIULRPPCV-LJQANCHMSA-N -1 0 327.449 3.794 20 0 EHADRM O=C([N-][C@@H](c1ccccc1F)C1CC1)C(F)(F)OCC(F)(F)F ZINC001183197372 1133778282 /nfs/dbraw/zinc/77/82/82/1133778282.db2.gz JVQFWFXYUBKESS-LLVKDONJSA-N -1 0 341.251 3.565 20 0 EHADRM COc1cccc2nc(NC(=O)c3c([O-])cc(F)cc3F)sc21 ZINC001183834894 1133862517 /nfs/dbraw/zinc/86/25/17/1133862517.db2.gz FBIOVBIRIWKQKO-UHFFFAOYSA-N -1 0 336.319 3.541 20 0 EHADRM CC(C)(C)C(=O)NCCCC(=O)Nc1c(Cl)ccc([O-])c1Cl ZINC001183942732 1133874519 /nfs/dbraw/zinc/87/45/19/1133874519.db2.gz PFNXENNDPAZJRO-UHFFFAOYSA-N -1 0 347.242 3.580 20 0 EHADRM CN(C[C@H]1CC1(C)C)C(=O)CCC(=O)C=C([O-])c1ccc(Cl)cc1 ZINC001184119994 1133901003 /nfs/dbraw/zinc/90/10/03/1133901003.db2.gz KEJLFHWHRFWHRN-CQSZACIVSA-N -1 0 349.858 3.767 20 0 EHADRM CC[C@H]([N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1)C(F)(F)F ZINC000786890732 1133916840 /nfs/dbraw/zinc/91/68/40/1133916840.db2.gz MHFPKGQGCMMONP-AEZGRPFRSA-N -1 0 327.755 3.571 20 0 EHADRM C[C@H]1C[C@H]1c1ncc(C(=O)Nc2ccc3[n-]c(=S)sc3c2)cn1 ZINC001185139415 1134035119 /nfs/dbraw/zinc/03/51/19/1134035119.db2.gz GUDOMCHZAKGSAX-GZMMTYOYSA-N -1 0 342.449 3.751 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccc(O)cc2)cc1)c1ccsc1 ZINC001185383885 1134076296 /nfs/dbraw/zinc/07/62/96/1134076296.db2.gz JZUPHVNGYZYLCF-UHFFFAOYSA-N -1 0 331.418 3.922 20 0 EHADRM COc1ccc(/C=C/C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC000788089859 1134078649 /nfs/dbraw/zinc/07/86/49/1134078649.db2.gz MYNUUHNYAKQOST-RMKNXTFCSA-N -1 0 325.364 3.662 20 0 EHADRM O=C(C=C([O-])c1ccccc1Cl)NC1(Cc2ccc(O)cc2)CC1 ZINC001185443967 1134086920 /nfs/dbraw/zinc/08/69/20/1134086920.db2.gz IWDRXIPKYRJZOQ-UHFFFAOYSA-N -1 0 343.810 3.510 20 0 EHADRM O=C(C=C([O-])c1ccccc1Cl)NC[C@H]1CCc2ccccc21 ZINC001185444559 1134087743 /nfs/dbraw/zinc/08/77/43/1134087743.db2.gz YVOSJFXUDGAONP-CQSZACIVSA-N -1 0 327.811 3.759 20 0 EHADRM Cc1c(CO)cccc1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185459412 1134091071 /nfs/dbraw/zinc/09/10/71/1134091071.db2.gz GRGHRCYKWJOPJK-UHFFFAOYSA-N -1 0 333.434 3.503 20 0 EHADRM COCc1ccc([N-]S(=O)(=O)c2cc3ccccc3s2)cc1 ZINC001185462566 1134091815 /nfs/dbraw/zinc/09/18/15/1134091815.db2.gz HGNDRCLUQNINHE-UHFFFAOYSA-N -1 0 333.434 3.849 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cc3ccccc3s2)cc1CO ZINC001185464123 1134092766 /nfs/dbraw/zinc/09/27/66/1134092766.db2.gz MRWBFDUBWHFLRD-UHFFFAOYSA-N -1 0 333.434 3.503 20 0 EHADRM O=S(=O)([N-]c1cccc2nnsc21)c1cc2ccccc2s1 ZINC001185464068 1134093100 /nfs/dbraw/zinc/09/31/00/1134093100.db2.gz LWVZDSNYRMIGCX-UHFFFAOYSA-N -1 0 347.446 3.707 20 0 EHADRM COc1cc(Cl)nc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)c1 ZINC001185497492 1134098852 /nfs/dbraw/zinc/09/88/52/1134098852.db2.gz WYBSQHUCHRVZCY-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cnc(Cl)c(F)c2)ccc1Cl ZINC001185497500 1134098955 /nfs/dbraw/zinc/09/89/55/1134098955.db2.gz XKIQOUJYTKKGOR-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM O=S(=O)(NCC1CCCCCCC1)c1cccc(Cl)c1[O-] ZINC001185675246 1134123342 /nfs/dbraw/zinc/12/33/42/1134123342.db2.gz MZMXQCUZERVCAP-UHFFFAOYSA-N -1 0 331.865 3.684 20 0 EHADRM O=C(NCCc1ccccc1OC(F)F)c1cccc(Cl)c1[O-] ZINC000788540252 1134139753 /nfs/dbraw/zinc/13/97/53/1134139753.db2.gz XYGRYKGAMNLBMG-UHFFFAOYSA-N -1 0 341.741 3.620 20 0 EHADRM CCc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)c(C)cc1C ZINC001185918779 1134151614 /nfs/dbraw/zinc/15/16/14/1134151614.db2.gz SAQWIBNLVBZBBE-UHFFFAOYSA-N -1 0 347.436 3.673 20 0 EHADRM O=C(c1cccc([S-])c1)N1C[C@@H]2C[C@H](C1)c1cc3nccnc3cc12 ZINC001186149065 1134175294 /nfs/dbraw/zinc/17/52/94/1134175294.db2.gz MKOXNROEMDKLMH-OKILXGFUSA-N -1 0 347.443 3.645 20 0 EHADRM CN(C)c1cccc([N-]S(=O)(=O)c2csc3ccccc32)c1 ZINC001186499122 1134223303 /nfs/dbraw/zinc/22/33/03/1134223303.db2.gz SOISYKBMOXRGQT-UHFFFAOYSA-N -1 0 332.450 3.768 20 0 EHADRM O=S(=O)([N-]c1ccnn1CC1CCC1)c1csc2ccccc21 ZINC001186463774 1134225277 /nfs/dbraw/zinc/22/52/77/1134225277.db2.gz HJTNOSQCLLLWAN-UHFFFAOYSA-N -1 0 347.465 3.699 20 0 EHADRM CC(=O)c1cc([N-]S(=O)(=O)c2csc3ccccc32)cnc1C ZINC001186464377 1134226069 /nfs/dbraw/zinc/22/60/69/1134226069.db2.gz RGDWRLNPPPCJAM-UHFFFAOYSA-N -1 0 346.433 3.608 20 0 EHADRM O=S(=O)([N-]c1ccccc1)c1cc(F)c(F)cc1Br ZINC001186684158 1134243345 /nfs/dbraw/zinc/24/33/45/1134243345.db2.gz GFERJPVFXZHDKC-UHFFFAOYSA-N -1 0 348.168 3.528 20 0 EHADRM CC1(C)CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000789387440 1134261085 /nfs/dbraw/zinc/26/10/85/1134261085.db2.gz MFCVDAPCMXMCKO-KRWDZBQOSA-N -1 0 345.464 3.861 20 0 EHADRM O=S(=O)([N-]c1cnc2ccc(C(F)(F)F)cc2c1)c1ccco1 ZINC001186820275 1134262648 /nfs/dbraw/zinc/26/26/48/1134262648.db2.gz NILNSYXAPOOVLN-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM CC1(C)CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000789413196 1134272040 /nfs/dbraw/zinc/27/20/40/1134272040.db2.gz SFXVEUWXODYGDB-LLVKDONJSA-N -1 0 347.839 3.500 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)cc1F ZINC001187173412 1134310907 /nfs/dbraw/zinc/31/09/07/1134310907.db2.gz BZYSQLVETFUXGY-UHFFFAOYSA-N -1 0 341.429 3.575 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2F)cnc1Cl ZINC000789736206 1134322642 /nfs/dbraw/zinc/32/26/42/1134322642.db2.gz UOKQAAFBAGVIKH-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM Cc1oncc1S(=O)(=O)[N-]c1ccccc1SC(C)(C)C ZINC001187379285 1134329882 /nfs/dbraw/zinc/32/98/82/1134329882.db2.gz GKBQRFFBHRBNII-UHFFFAOYSA-N -1 0 326.443 3.674 20 0 EHADRM O=C([O-])c1cc(NCc2ccc(F)c(Cl)c2)cc2c1OCCO2 ZINC000789904423 1134347724 /nfs/dbraw/zinc/34/77/24/1134347724.db2.gz WMWSSPKURTVVMU-UHFFFAOYSA-N -1 0 337.734 3.561 20 0 EHADRM CC(C)(C)Sc1ccccc1[N-]S(=O)(=O)c1nccs1 ZINC001187899991 1134394370 /nfs/dbraw/zinc/39/43/70/1134394370.db2.gz IKZYOTHBPQMWSP-UHFFFAOYSA-N -1 0 328.484 3.835 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2nccc3ccncc32)cc1 ZINC000790642491 1134451002 /nfs/dbraw/zinc/45/10/02/1134451002.db2.gz NZRVFTLINLXZGJ-ZDUSSCGKSA-N -1 0 341.436 3.944 20 0 EHADRM O=S(=O)([N-]c1cc(C(F)(F)F)nc2ccccc12)c1ccoc1 ZINC001188580133 1134484013 /nfs/dbraw/zinc/48/40/13/1134484013.db2.gz SEEYCOXOZOZAGN-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM O=C(COC(=O)c1c(F)cc([O-])cc1F)c1ccc(F)c(Cl)c1 ZINC000746984740 1134513275 /nfs/dbraw/zinc/51/32/75/1134513275.db2.gz HBJZYVZWVGJGCH-UHFFFAOYSA-N -1 0 344.672 3.503 20 0 EHADRM Cc1c(=O)[n-]n(-c2ccccc2)c1NC(=O)Nc1cccc(F)c1C ZINC001189083019 1134542835 /nfs/dbraw/zinc/54/28/35/1134542835.db2.gz JZUNJPJNYWRNHM-UHFFFAOYSA-N -1 0 340.358 3.978 20 0 EHADRM CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000775290606 1134615244 /nfs/dbraw/zinc/61/52/44/1134615244.db2.gz CXPZRPOCWHXWPJ-LLVKDONJSA-N -1 0 331.503 3.776 20 0 EHADRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000775294594 1134616718 /nfs/dbraw/zinc/61/67/18/1134616718.db2.gz DSZHOIGTDNZORX-UHFFFAOYSA-N -1 0 338.237 3.864 20 0 EHADRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000775295227 1134617642 /nfs/dbraw/zinc/61/76/42/1134617642.db2.gz KSNYLXAFJBWCHI-UHFFFAOYSA-N -1 0 332.208 3.803 20 0 EHADRM COc1cccc(-c2cc(Nc3ccc(C(=O)[O-])cc3F)on2)c1 ZINC001203286305 1134632049 /nfs/dbraw/zinc/63/20/49/1134632049.db2.gz NNRWCIWKTKTTCX-UHFFFAOYSA-N -1 0 328.299 3.931 20 0 EHADRM COc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC001189948686 1134640527 /nfs/dbraw/zinc/64/05/27/1134640527.db2.gz HKAKYAHERHYOCD-UHFFFAOYSA-N -1 0 349.305 3.654 20 0 EHADRM O=C(N[C@@H]1CCCC[C@H]1F)c1cc(Br)ccc1[S-] ZINC001189961030 1134642318 /nfs/dbraw/zinc/64/23/18/1134642318.db2.gz HTVXDQDKBUYVMV-GHMZBOCLSA-N -1 0 332.238 3.748 20 0 EHADRM C[C@@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1ccc(Cl)cn1 ZINC000792451771 1134688510 /nfs/dbraw/zinc/68/85/10/1134688510.db2.gz YTBVWKHZYXATIJ-MRVPVSSYSA-N -1 0 346.711 3.982 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(C3CC3)nn2C)cc1 ZINC001190422414 1134697763 /nfs/dbraw/zinc/69/77/63/1134697763.db2.gz CZZFHPWKRJTDRD-UHFFFAOYSA-N -1 0 347.484 3.786 20 0 EHADRM O=S(=O)([N-]c1cnc2ccsc2c1)c1ccc(C2CC2)cc1 ZINC001190472500 1134706128 /nfs/dbraw/zinc/70/61/28/1134706128.db2.gz RSBHAKSWYPIWQU-UHFFFAOYSA-N -1 0 330.434 3.975 20 0 EHADRM [O-]c1cc(CN2CCCC(F)(F)[C@@H](F)C2)c(F)c(F)c1Cl ZINC001250388161 1134728737 /nfs/dbraw/zinc/72/87/37/1134728737.db2.gz VGUZKDHPNBNSFN-VIFPVBQESA-N -1 0 329.696 3.893 20 0 EHADRM CC(C)N(C(=O)COC(=O)c1cc([S-])ccc1F)c1ccccc1 ZINC000798724481 1134747681 /nfs/dbraw/zinc/74/76/81/1134747681.db2.gz RUWZMZKGFJAHIC-UHFFFAOYSA-N -1 0 347.411 3.713 20 0 EHADRM O=S(=O)(CC1CCCC1)Nc1ccc2[n-]c(=S)sc2c1 ZINC001191527181 1134880215 /nfs/dbraw/zinc/88/02/15/1134880215.db2.gz VCFXTRIBEXJYAD-UHFFFAOYSA-N -1 0 328.484 3.517 20 0 EHADRM COc1c(Cl)cc(Cl)cc1[N-]S(=O)(=O)CC1CCCC1 ZINC001191529812 1134880566 /nfs/dbraw/zinc/88/05/66/1134880566.db2.gz LCUKSJACDURNPT-UHFFFAOYSA-N -1 0 338.256 3.934 20 0 EHADRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc(Cl)nc1 ZINC001191663483 1134901798 /nfs/dbraw/zinc/90/17/98/1134901798.db2.gz NBZJJQOGKYTFLI-UHFFFAOYSA-N -1 0 340.832 3.668 20 0 EHADRM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)c(C)c2Cl)n1 ZINC001191732131 1134914594 /nfs/dbraw/zinc/91/45/94/1134914594.db2.gz WOTYSUTWEAJOTB-UHFFFAOYSA-N -1 0 349.214 3.945 20 0 EHADRM Cc1ccc2cccnc2c1[N-]S(=O)(=O)C(Cl)(Cl)Cl ZINC001192032237 1134957942 /nfs/dbraw/zinc/95/79/42/1134957942.db2.gz OIGPSNANJILHAG-UHFFFAOYSA-N -1 0 339.631 3.613 20 0 EHADRM COc1ccc2cc(S(=O)(=O)[N-]c3ccc(C)nc3C)ccc2c1 ZINC001191932677 1134943217 /nfs/dbraw/zinc/94/32/17/1134943217.db2.gz UEPMTWBLMGRAIR-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM O=S(=O)([N-]c1c(O)ccc2ccccc21)C(Cl)(Cl)Cl ZINC001192034473 1134958537 /nfs/dbraw/zinc/95/85/37/1134958537.db2.gz HILRHXVJBZEPMG-UHFFFAOYSA-N -1 0 340.615 3.615 20 0 EHADRM Cc1cnn(C)c1[N-]S(=O)(=O)c1ccc(-c2ccc(C)cc2)cc1 ZINC001192064767 1134963607 /nfs/dbraw/zinc/96/36/07/1134963607.db2.gz ZOSZBEXQIXXFFK-UHFFFAOYSA-N -1 0 341.436 3.505 20 0 EHADRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1cnc(Cl)cc1C ZINC001192356810 1135005051 /nfs/dbraw/zinc/00/50/51/1135005051.db2.gz ZWUXWXVXNPXLPV-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM Cc1ccc2cccnc2c1[N-]S(=O)(=O)c1cnc(Cl)cc1C ZINC001192356651 1135005645 /nfs/dbraw/zinc/00/56/45/1135005645.db2.gz VSAFWEAOWMABBQ-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM CSCCONC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000794188925 1135025311 /nfs/dbraw/zinc/02/53/11/1135025311.db2.gz YAEGNROKLRPQHB-UHFFFAOYSA-N -1 0 337.828 3.737 20 0 EHADRM CSc1ccc(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)s1 ZINC001192646735 1135043690 /nfs/dbraw/zinc/04/36/90/1135043690.db2.gz JXZSAOXPEJOWPG-UHFFFAOYSA-N -1 0 331.422 3.614 20 0 EHADRM Cc1ccccc1-c1cc(NC(=O)c2c(F)ccc(F)c2[O-])n(C)n1 ZINC001192694463 1135045257 /nfs/dbraw/zinc/04/52/57/1135045257.db2.gz YBTLTJZOFBLFDH-UHFFFAOYSA-N -1 0 343.333 3.632 20 0 EHADRM O=C(Nc1cc(OC(F)(F)F)ccc1O)c1c([O-])c(F)ccc1F ZINC001192716146 1135051442 /nfs/dbraw/zinc/05/14/42/1135051442.db2.gz HSZSTCNQAPSOSL-UHFFFAOYSA-N -1 0 349.211 3.527 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cc3ccccc3n2C)c1 ZINC001192776205 1135053478 /nfs/dbraw/zinc/05/34/78/1135053478.db2.gz VSUKGMNSAXWQIC-UHFFFAOYSA-N -1 0 344.436 3.550 20 0 EHADRM Cc1cccc(S(=O)(=O)N[C@@H](C(F)F)C2CCCCC2)c1F ZINC001192754829 1135055196 /nfs/dbraw/zinc/05/51/96/1135055196.db2.gz SUXQCPBLWFOFEP-CQSZACIVSA-N -1 0 335.391 3.626 20 0 EHADRM O=C(c1ccc([O-])c(F)c1F)N1CCC2(C=Cc3ccccc32)CC1 ZINC001192831479 1135060098 /nfs/dbraw/zinc/06/00/98/1135060098.db2.gz GGOMPLIXNVONGD-UHFFFAOYSA-N -1 0 341.357 3.871 20 0 EHADRM CC(=O)Nc1ccc(NC(=O)c2cc(F)c([O-])cc2F)cc1Cl ZINC001192872561 1135061591 /nfs/dbraw/zinc/06/15/91/1135061591.db2.gz OKMPOOSCZDQIPJ-UHFFFAOYSA-N -1 0 340.713 3.535 20 0 EHADRM O=C(Nc1ccc(C2CCOCC2)cc1)c1cc(F)c([O-])cc1F ZINC001192872799 1135061672 /nfs/dbraw/zinc/06/16/72/1135061672.db2.gz SWUZQNMJWJQVAE-UHFFFAOYSA-N -1 0 333.334 3.817 20 0 EHADRM CCC[C@@H](C(=O)c1ccccc1)N(C)C(=O)c1cc(F)c([O-])cc1F ZINC001192871813 1135062197 /nfs/dbraw/zinc/06/21/97/1135062197.db2.gz HCKIQJTZHVMKDQ-INIZCTEOSA-N -1 0 347.361 3.794 20 0 EHADRM O=C(NCC1(c2ccc(Cl)cc2)CC1)c1cc(F)c([O-])cc1F ZINC001192876010 1135063217 /nfs/dbraw/zinc/06/32/17/1135063217.db2.gz HOXLAALIBNKQSM-UHFFFAOYSA-N -1 0 337.753 3.785 20 0 EHADRM O=C(N[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1)c1ccc([O-])c(F)c1F ZINC001192849160 1135064771 /nfs/dbraw/zinc/06/47/71/1135064771.db2.gz JSHGILUJNLWWCY-HAELCTKSSA-N -1 0 343.373 3.983 20 0 EHADRM Cc1c(=O)[n-]n(-c2ccccc2)c1NC(=O)N[C@@H]1CCc2ccccc21 ZINC001193019332 1135089053 /nfs/dbraw/zinc/08/90/53/1135089053.db2.gz TWNOWZNYVZAOJT-QGZVFWFLSA-N -1 0 348.406 3.695 20 0 EHADRM CC(C)c1cccnc1NC(=O)c1cc(Cl)nc(Cl)c1[O-] ZINC001193082051 1135096805 /nfs/dbraw/zinc/09/68/05/1135096805.db2.gz FYSQSAFHBPEGBO-UHFFFAOYSA-N -1 0 326.183 3.865 20 0 EHADRM CC(C)c1ccc(Cl)c(C(=O)Nc2cc(=O)[n-]c(Cl)n2)c1 ZINC001193844260 1135194193 /nfs/dbraw/zinc/19/41/93/1135194193.db2.gz CKAXIMCFCLJJNS-UHFFFAOYSA-N -1 0 326.183 3.865 20 0 EHADRM Cc1cc(O)cc(O)c1C(=O)Nc1cc(Cl)c(C)c(Cl)c1[O-] ZINC001193935764 1135201351 /nfs/dbraw/zinc/20/13/51/1135201351.db2.gz CRIPBFHKSDBVMO-UHFFFAOYSA-N -1 0 342.178 3.979 20 0 EHADRM O=C(Nc1ccc(N=S2(=O)CCCC2)cc1)c1cccc(F)c1[O-] ZINC001130029888 1135222379 /nfs/dbraw/zinc/22/23/79/1135222379.db2.gz ILKUDSQURCQSTC-UHFFFAOYSA-N -1 0 348.399 3.677 20 0 EHADRM CCCOC(=O)Nc1cccc(C([O-])(C(F)(F)F)C(F)(F)F)c1 ZINC001194124463 1135229360 /nfs/dbraw/zinc/22/93/60/1135229360.db2.gz FHCQDSVVLBSAFC-UHFFFAOYSA-N -1 0 345.239 3.957 20 0 EHADRM Cc1ncc([N-]S(=O)(=O)c2ccc(-c3cccs3)cc2)s1 ZINC001194145180 1135233234 /nfs/dbraw/zinc/23/32/34/1135233234.db2.gz CCSZTNGRFMBGNY-UHFFFAOYSA-N -1 0 336.463 3.981 20 0 EHADRM COc1cccnc1[N-]S(=O)(=O)c1ccc2c(Cl)cccc2c1 ZINC001194218139 1135246067 /nfs/dbraw/zinc/24/60/67/1135246067.db2.gz XVZXWNUDTOQABP-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM CC(C)(C)COC(=O)Nc1ccc2ccccc2c1S(=O)(=O)[O-] ZINC001194385884 1135262460 /nfs/dbraw/zinc/26/24/60/1135262460.db2.gz XEWPTWSNHAAXRX-UHFFFAOYSA-N -1 0 337.397 3.681 20 0 EHADRM O=S(=O)([N-]c1cccc(Cl)c1)c1ncccc1C(F)(F)F ZINC001194524659 1135280762 /nfs/dbraw/zinc/28/07/62/1135280762.db2.gz WGFSIHABABQQLK-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)n1 ZINC001194606278 1135292866 /nfs/dbraw/zinc/29/28/66/1135292866.db2.gz ZOODIWWAVQLLIE-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM CCC(CC)COC(=O)Nc1ccc(S(=O)(=O)[O-])cc1Cl ZINC001194708576 1135310700 /nfs/dbraw/zinc/31/07/00/1135310700.db2.gz DMKPKQNFHANHBZ-UHFFFAOYSA-N -1 0 335.809 3.571 20 0 EHADRM CC[C@H](C)COC(=O)Nc1ccc2ccccc2c1S(=O)(=O)[O-] ZINC001194807216 1135323635 /nfs/dbraw/zinc/32/36/35/1135323635.db2.gz PXQZCIPAUFYDHO-NSHDSACASA-N -1 0 337.397 3.681 20 0 EHADRM CCOc1cccc(NS(=O)(=O)c2c(C)cc(OC)c(C)c2C)c1 ZINC001194864934 1135332347 /nfs/dbraw/zinc/33/23/47/1135332347.db2.gz UZXFJURYPDQVNI-UHFFFAOYSA-N -1 0 349.452 3.820 20 0 EHADRM COc1cccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1OC ZINC001195111773 1135370640 /nfs/dbraw/zinc/37/06/40/1135370640.db2.gz SCRXFVHFTSLLEU-UHFFFAOYSA-N -1 0 335.425 3.628 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2O)c1 ZINC001195155918 1135383150 /nfs/dbraw/zinc/38/31/50/1135383150.db2.gz BSOCDVQBYBFNQX-UHFFFAOYSA-N -1 0 327.352 3.595 20 0 EHADRM CC(C)C(=O)Nc1ccc(CNC(=O)c2cccc(Cl)c2[O-])cc1 ZINC000775645752 1135389069 /nfs/dbraw/zinc/38/90/69/1135389069.db2.gz QACGHCSUZYQEES-UHFFFAOYSA-N -1 0 346.814 3.570 20 0 EHADRM Cc1ccc(O)c(C(=O)Nc2ccc3c(c2)Cc2cc(N)ccc2-3)n1 ZINC001195325801 1135406375 /nfs/dbraw/zinc/40/63/75/1135406375.db2.gz IIYLNYQAZHJOQO-UHFFFAOYSA-N -1 0 331.375 3.501 20 0 EHADRM CCn1ncc2cc([N-]S(=O)(=O)c3c(C)cccc3Cl)ccc21 ZINC001195316508 1135412988 /nfs/dbraw/zinc/41/29/88/1135412988.db2.gz FBDLCIMIUPQPQH-UHFFFAOYSA-N -1 0 349.843 3.819 20 0 EHADRM COCc1ccc([N-]S(=O)(=O)c2c(C)cccc2Cl)cc1F ZINC001195317109 1135413632 /nfs/dbraw/zinc/41/36/32/1135413632.db2.gz PAGAXZQXAWHVRL-UHFFFAOYSA-N -1 0 343.807 3.735 20 0 EHADRM O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cccc(Cl)c1[O-] ZINC000775665452 1135438105 /nfs/dbraw/zinc/43/81/05/1135438105.db2.gz BVWBCLNMTXHJQV-CVEARBPZSA-N -1 0 349.789 3.835 20 0 EHADRM O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cccc(Cl)c1[O-] ZINC000775665454 1135438542 /nfs/dbraw/zinc/43/85/42/1135438542.db2.gz BVWBCLNMTXHJQV-HZPDHXFCSA-N -1 0 349.789 3.835 20 0 EHADRM O=C(Nc1ccc(-c2csnn2)cc1)c1cccc(Cl)c1[O-] ZINC000775667222 1135450687 /nfs/dbraw/zinc/45/06/87/1135450687.db2.gz GAYZLJNEZFWBCQ-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM O=C(CC/C=C/c1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000121433228 1135481743 /nfs/dbraw/zinc/48/17/43/1135481743.db2.gz WIIDOXDOVXOAIE-XBXARRHUSA-N -1 0 349.839 3.639 20 0 EHADRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(C)cc2F)on1 ZINC001196347449 1135549555 /nfs/dbraw/zinc/54/95/55/1135549555.db2.gz WCOKZTNZEVDMSD-LLVKDONJSA-N -1 0 326.393 3.827 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)no2)c(F)c1 ZINC001196347328 1135549636 /nfs/dbraw/zinc/54/96/36/1135549636.db2.gz SAVDFYXTRPDBOF-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C)cc3F)on2)cc1 ZINC001196347327 1135549690 /nfs/dbraw/zinc/54/96/90/1135549690.db2.gz SACMKRIMPGYNDE-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnc(Cl)c(Cl)c2)c(F)c1 ZINC001196353091 1135550153 /nfs/dbraw/zinc/55/01/53/1135550153.db2.gz BPDNIXMYVTVKER-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC001196382448 1135552786 /nfs/dbraw/zinc/55/27/86/1135552786.db2.gz BHVAGLRQLUMXRI-UHFFFAOYSA-N -1 0 341.791 3.791 20 0 EHADRM CCC[C@@H](C(=O)c1ccccc1)N(C)C(=O)c1cc(Cl)ncc1[O-] ZINC001196395592 1135554259 /nfs/dbraw/zinc/55/42/59/1135554259.db2.gz HJQRODUOXSKGMF-AWEZNQCLSA-N -1 0 346.814 3.564 20 0 EHADRM O=C(c1cc(Cl)ncc1[O-])N1CCC[C@@H]1c1ccc(F)cc1F ZINC001196396280 1135555664 /nfs/dbraw/zinc/55/56/64/1135555664.db2.gz QVGQFTYSHNJJLX-CYBMUJFWSA-N -1 0 338.741 3.696 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cn1)c1ccc2cc(Cl)ccc2c1 ZINC001196411615 1135560317 /nfs/dbraw/zinc/56/03/17/1135560317.db2.gz BXJXLCZRAKLFJM-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC001196414641 1135561047 /nfs/dbraw/zinc/56/10/47/1135561047.db2.gz SNQVZWRXEGLKNW-UHFFFAOYSA-N -1 0 349.843 3.644 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1C[C@H]2CCCN2c2ccccc21 ZINC000775734751 1135590097 /nfs/dbraw/zinc/59/00/97/1135590097.db2.gz ZAHCYWRFIGCSKX-GFCCVEGCSA-N -1 0 328.799 3.675 20 0 EHADRM Cc1nc2c(s1)[C@H](N(C)C(=O)c1cccc(Cl)c1[O-])CCC2 ZINC000775735164 1135590284 /nfs/dbraw/zinc/59/02/84/1135590284.db2.gz JVIYCEZCTYHYTN-CYBMUJFWSA-N -1 0 336.844 3.960 20 0 EHADRM COc1ccc(F)c(S(=O)(=O)Nc2c([S-])cccc2Cl)c1 ZINC001196779368 1135614728 /nfs/dbraw/zinc/61/47/28/1135614728.db2.gz RZGHLXYCTKBOCI-UHFFFAOYSA-N -1 0 347.820 3.577 20 0 EHADRM CCc1cc([N-]S(=O)(=O)c2cc(OC)ccc2F)c(C)cc1C ZINC001196778282 1135614966 /nfs/dbraw/zinc/61/49/66/1135614966.db2.gz CWLYIESXAIUSGX-UHFFFAOYSA-N -1 0 337.416 3.814 20 0 EHADRM Cn1cc(S(=O)(=O)[N-]c2cccc(-c3ccccc3)c2)nc1Cl ZINC000808115897 1135619680 /nfs/dbraw/zinc/61/96/80/1135619680.db2.gz XVOGNADGXHMUTN-UHFFFAOYSA-N -1 0 347.827 3.541 20 0 EHADRM CN(C(=O)c1cccc(Cl)c1[O-])[C@@H]1CCCN(c2ccccc2)C1 ZINC000775745749 1135620305 /nfs/dbraw/zinc/62/03/05/1135620305.db2.gz DTBRUZRXIYQRJL-OAHLLOKOSA-N -1 0 344.842 3.787 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2cccc3oc(C)nc32)c(C)c1 ZINC001196881433 1135621527 /nfs/dbraw/zinc/62/15/27/1135621527.db2.gz XISSPUFBDGQULT-UHFFFAOYSA-N -1 0 346.408 3.562 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N2CC[C@H](C3CCCCC3)C2)cc1 ZINC001197096887 1135645746 /nfs/dbraw/zinc/64/57/46/1135645746.db2.gz OTKOXSMNYZVLCQ-HNNXBMFYSA-N -1 0 332.469 3.984 20 0 EHADRM COc1ccnc(F)c1C(=O)Nc1cc(Cl)c(C)c(Cl)c1[O-] ZINC001197144531 1135649589 /nfs/dbraw/zinc/64/95/89/1135649589.db2.gz KEMLDIXAUZOFAC-UHFFFAOYSA-N -1 0 345.157 3.802 20 0 EHADRM C[C@H](NC(=O)c1cccc(Cl)c1[O-])c1nc(C2CCCCC2)no1 ZINC000775766425 1135662807 /nfs/dbraw/zinc/66/28/07/1135662807.db2.gz XWDZLHRMZIPMGC-JTQLQIEISA-N -1 0 349.818 3.967 20 0 EHADRM CCC(CC)(NC(=O)/C=C(\C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000808519239 1135685585 /nfs/dbraw/zinc/68/55/85/1135685585.db2.gz XVZICSWAQZDGNV-PKNBQFBNSA-N -1 0 343.345 3.868 20 0 EHADRM COCCCOc1cccc(NC(=O)c2cccc(Cl)c2[O-])c1 ZINC000775772298 1135686680 /nfs/dbraw/zinc/68/66/80/1135686680.db2.gz UBLCPBFNXPKXEF-UHFFFAOYSA-N -1 0 335.787 3.713 20 0 EHADRM C[C@H](OC(=O)c1cc(F)c([O-])c(F)c1)C(=O)C1(c2ccccc2)CC1 ZINC000808524120 1135686895 /nfs/dbraw/zinc/68/68/95/1135686895.db2.gz ZNQAWCJSAWMBHO-NSHDSACASA-N -1 0 346.329 3.517 20 0 EHADRM O=S(=O)(Cc1cccnc1)[N-]c1cc(-c2ccccc2)cs1 ZINC001197421719 1135690855 /nfs/dbraw/zinc/69/08/55/1135690855.db2.gz GQMXTIHXIHPWHE-UHFFFAOYSA-N -1 0 330.434 3.752 20 0 EHADRM O=C(Nc1cnn(-c2ccccc2F)c1)c1cccc(Cl)c1[O-] ZINC000775778014 1135704227 /nfs/dbraw/zinc/70/42/27/1135704227.db2.gz JUEKEHREPRIVMQ-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM CCC1(CC)[C@H](N(C)C(=O)c2cccc(Cl)c2[O-])C[C@@H]1OC ZINC000775780057 1135721647 /nfs/dbraw/zinc/72/16/47/1135721647.db2.gz BXKSOLNLJCOMTG-KGLIPLIRSA-N -1 0 325.836 3.711 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2ccc3c(c2)Cc2ccccc2-3)c1 ZINC001198004157 1135760822 /nfs/dbraw/zinc/76/08/22/1135760822.db2.gz AABRFVVJOPVIAG-UHFFFAOYSA-N -1 0 336.416 3.762 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)Cc1ccc(C)cc1 ZINC000809063230 1135770193 /nfs/dbraw/zinc/77/01/93/1135770193.db2.gz JRCZYEJESOPHEQ-KRWDZBQOSA-N -1 0 337.485 3.548 20 0 EHADRM CCOc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198861898 1135863129 /nfs/dbraw/zinc/86/31/29/1135863129.db2.gz NCLIPSFESBHWAF-UHFFFAOYSA-N -1 0 331.393 3.941 20 0 EHADRM COc1cc(NS(=O)(=O)c2ccc3occc3c2)cc(F)c1F ZINC001198870254 1135864670 /nfs/dbraw/zinc/86/46/70/1135864670.db2.gz KTISNQWCURCDPN-UHFFFAOYSA-N -1 0 339.319 3.520 20 0 EHADRM O=C(Nc1ccccc1[S-])c1ccncc1OCC(F)(F)F ZINC001199135715 1135882247 /nfs/dbraw/zinc/88/22/47/1135882247.db2.gz WURCIGXCVBJKKN-UHFFFAOYSA-N -1 0 328.315 3.564 20 0 EHADRM CC[C@H](C)n1nc(NC(=O)c2ccc3[n-]c(=S)oc3c2)cc1C ZINC000775949372 1135894520 /nfs/dbraw/zinc/89/45/20/1135894520.db2.gz ZOXUNULKKDBUJG-VIFPVBQESA-N -1 0 330.413 3.845 20 0 EHADRM CCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000776079636 1135948851 /nfs/dbraw/zinc/94/88/51/1135948851.db2.gz ACYOSJVTIUFZIL-AWEZNQCLSA-N -1 0 348.468 3.646 20 0 EHADRM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC001149040702 1135954161 /nfs/dbraw/zinc/95/41/61/1135954161.db2.gz ANGGVIORQBMQQI-ZFWWWQNUSA-N -1 0 327.428 3.523 20 0 EHADRM CCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1cc(C)cc(F)c1 ZINC000776095390 1135954688 /nfs/dbraw/zinc/95/46/88/1135954688.db2.gz BVLKAUMZQNHEIR-CYBMUJFWSA-N -1 0 329.437 3.546 20 0 EHADRM CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)[N-]OC/C=C\Cl ZINC000810498742 1135966473 /nfs/dbraw/zinc/96/64/73/1135966473.db2.gz LHBTUGRWOLBMSL-TWGQIWQCSA-N -1 0 338.835 3.672 20 0 EHADRM O=C(N[C@H]1CC2(CCC2)Oc2ccccc21)c1ccc(O)cc1F ZINC000776171941 1136020573 /nfs/dbraw/zinc/02/05/73/1136020573.db2.gz XRWMPQTULLPQLT-INIZCTEOSA-N -1 0 327.355 3.708 20 0 EHADRM FC(F)n1cc(Nc2nc3cc(Br)ccc3o2)cn1 ZINC001201724253 1136055897 /nfs/dbraw/zinc/05/58/97/1136055897.db2.gz PQPUNJGSWVSPSB-UHFFFAOYSA-N -1 0 329.104 3.926 20 0 EHADRM COc1cc(Br)c(O)c(NC(=O)Nc2ccccc2)c1 ZINC001201954621 1136077883 /nfs/dbraw/zinc/07/78/83/1136077883.db2.gz AJQNWAAVELKWPY-UHFFFAOYSA-N -1 0 337.173 3.807 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1ccnc(C(F)(F)F)c1 ZINC000811526778 1136098939 /nfs/dbraw/zinc/09/89/39/1136098939.db2.gz ACAHWOXNZZMLPZ-UHFFFAOYSA-N -1 0 334.656 3.851 20 0 EHADRM CN(C)c1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)cc1 ZINC000747765944 1136175284 /nfs/dbraw/zinc/17/52/84/1136175284.db2.gz KMLMAJNNKCKZHT-UHFFFAOYSA-N -1 0 338.498 3.912 20 0 EHADRM Cc1cc(N[C@@H](Cc2ccccc2)c2nccs2)cnc1C(=O)[O-] ZINC001170660715 1136175412 /nfs/dbraw/zinc/17/54/12/1136175412.db2.gz HREKVPLXBKSJCK-HNNXBMFYSA-N -1 0 339.420 3.941 20 0 EHADRM CCC[C@H](C(=O)[N-]S(=O)(=O)C1CCCC1)c1ccc(Cl)cc1 ZINC000850884045 1136315231 /nfs/dbraw/zinc/31/52/31/1136315231.db2.gz PPXHARSQWDUGMJ-HNNXBMFYSA-N -1 0 343.876 3.612 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C1CCC2(CC2)CC1 ZINC000851043410 1136331566 /nfs/dbraw/zinc/33/15/66/1136331566.db2.gz MTVVIRRBAVXIQE-INIZCTEOSA-N -1 0 335.469 3.554 20 0 EHADRM CCC(CC)(CC)C(=O)[N-]S(=O)(=O)c1cccc2c(C)ccnc21 ZINC000851137472 1136341255 /nfs/dbraw/zinc/34/12/55/1136341255.db2.gz MBYKNZLJCXSPBP-UHFFFAOYSA-N -1 0 348.468 3.565 20 0 EHADRM CCCCC(=O)O[C@H]1C[C@H]([N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000851176338 1136346501 /nfs/dbraw/zinc/34/65/01/1136346501.db2.gz OQALIEOOYWLOGQ-STQMWFEESA-N -1 0 329.318 3.584 20 0 EHADRM O=C(CC1CCCCCC1)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000851246575 1136357363 /nfs/dbraw/zinc/35/73/63/1136357363.db2.gz DRSSNQYCAWAJQP-UHFFFAOYSA-N -1 0 335.425 3.598 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H](C)c1cccc(F)c1 ZINC000814015796 1136386504 /nfs/dbraw/zinc/38/65/04/1136386504.db2.gz ZWJDBCLIAXYENZ-GUYCJALGSA-N -1 0 349.427 3.527 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)c1ccc(/C=C\C(=O)[O-])o1)C1CC1 ZINC000851593650 1136394926 /nfs/dbraw/zinc/39/49/26/1136394926.db2.gz BRIKWQVFNQASKE-LECLMCCNSA-N -1 0 325.364 3.567 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(/C=C\C(=O)[O-])o2)cc1C ZINC000851595480 1136395310 /nfs/dbraw/zinc/39/53/10/1136395310.db2.gz PHTXFXXPIALGDW-PXAMLJHWSA-N -1 0 339.391 3.972 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(/C=C/C(=O)[O-])o2)[C@H]1c1cccc(F)c1 ZINC000851599718 1136395447 /nfs/dbraw/zinc/39/54/47/1136395447.db2.gz AXVDCIWSSSYOMI-QZQWMFAZSA-N -1 0 343.354 3.740 20 0 EHADRM CCOc1ccccc1[C@H](CC)NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851604690 1136395831 /nfs/dbraw/zinc/39/58/31/1136395831.db2.gz DDRBYUZDHXYUPI-WQTVUKCASA-N -1 0 343.379 3.657 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851602342 1136395905 /nfs/dbraw/zinc/39/59/05/1136395905.db2.gz RUDLOQNDFWVSGA-KVNDZABWSA-N -1 0 341.407 3.861 20 0 EHADRM CC(C)(CCc1ccccc1)NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851605577 1136396055 /nfs/dbraw/zinc/39/60/55/1136396055.db2.gz LLYOTQQFCLAWPB-LUAWRHEFSA-N -1 0 327.380 3.519 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N[C@H]1CCC[C@]1(C)C(=O)[O-] ZINC000851625038 1136396589 /nfs/dbraw/zinc/39/65/89/1136396589.db2.gz QSVWVKGNCKIFOV-KSSFIOAISA-N -1 0 347.436 3.669 20 0 EHADRM C[C@@H]1N(C(=O)c2ccc(/C=C/C(=O)[O-])o2)c2ccccc2C1(C)C ZINC000851621435 1136396709 /nfs/dbraw/zinc/39/67/09/1136396709.db2.gz SRYUWQSWVQJJFF-ZKQHCESOSA-N -1 0 325.364 3.704 20 0 EHADRM Cc1c(NCC(C)(C)C)cccc1C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC000851705333 1136400605 /nfs/dbraw/zinc/40/06/05/1136400605.db2.gz MNEUXLYRCSWNKT-HNNXBMFYSA-N -1 0 346.471 3.684 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000110211515 1136409123 /nfs/dbraw/zinc/40/91/23/1136409123.db2.gz NYXLMSSBSWUBPB-UHFFFAOYSA-N -1 0 331.224 3.752 20 0 EHADRM C[C@H](Nc1ccc(Br)cc1C(=O)[O-])c1cccc(N)c1 ZINC001170733607 1136422634 /nfs/dbraw/zinc/42/26/34/1136422634.db2.gz IQHSXEUPAPKXBX-VIFPVBQESA-N -1 0 335.201 3.903 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)c(C)o1 ZINC000776565956 1136435139 /nfs/dbraw/zinc/43/51/39/1136435139.db2.gz GLDFJAFMOIJQGD-FZMZJTMJSA-N -1 0 341.473 3.554 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)/C=C(\C)c1ccccc1C(F)(F)F ZINC000776629037 1136491444 /nfs/dbraw/zinc/49/14/44/1136491444.db2.gz VFHNJEMNMXSKNM-SOGBHIHOSA-N -1 0 343.345 3.868 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2ccccc2N2CCCCC2)CC1 ZINC000852950059 1136493869 /nfs/dbraw/zinc/49/38/69/1136493869.db2.gz NMLGMUGMYFFSPV-UHFFFAOYSA-N -1 0 330.428 3.506 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000776631937 1136494168 /nfs/dbraw/zinc/49/41/68/1136494168.db2.gz QUPNQLNUCLQCAG-JBLNNTITSA-N -1 0 327.405 3.897 20 0 EHADRM O=C([O-])[C@@H]1Cc2nc3cc(Cl)ccc3c([C@H]3CCCOC3)c2C1 ZINC000853001794 1136496924 /nfs/dbraw/zinc/49/69/24/1136496924.db2.gz AELLLAYVEWIOAD-QWRGUYRKSA-N -1 0 331.799 3.582 20 0 EHADRM CCCCS[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000776656625 1136526947 /nfs/dbraw/zinc/52/69/47/1136526947.db2.gz FFYPFDBNXHYOIJ-YGRLFVJLSA-N -1 0 345.411 3.519 20 0 EHADRM CCc1ccsc1C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000776659122 1136527735 /nfs/dbraw/zinc/52/77/35/1136527735.db2.gz YRZNDHBRVIDTAU-CYBMUJFWSA-N -1 0 339.363 3.535 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)/C=C\c1ccccc1Cl ZINC000776672491 1136528810 /nfs/dbraw/zinc/52/88/10/1136528810.db2.gz HGMRWQWKHGOAFJ-QXPKXGMISA-N -1 0 343.810 3.994 20 0 EHADRM O=C(Nc1ncc(Oc2ccccc2)cn1)c1cccc(Cl)c1[O-] ZINC001135034984 1136598169 /nfs/dbraw/zinc/59/81/69/1136598169.db2.gz BUGBAWRADMNUSB-UHFFFAOYSA-N -1 0 341.754 3.880 20 0 EHADRM CCC(F)(F)C(=O)[N-][C@@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000854650284 1136633957 /nfs/dbraw/zinc/63/39/57/1136633957.db2.gz OMJTZEXKFYZOSR-LURJTMIESA-N -1 0 330.684 3.976 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)[C@H](CCc1ccccc1)C(C)C ZINC000815948821 1136656871 /nfs/dbraw/zinc/65/68/71/1136656871.db2.gz VPCXFOJABCDFQE-QGZVFWFLSA-N -1 0 339.501 3.526 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C1CCCCCC1 ZINC000816112638 1136677689 /nfs/dbraw/zinc/67/76/89/1136677689.db2.gz ZBVXZQQYZCOBOV-KRWDZBQOSA-N -1 0 337.485 3.800 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H](F)c1ccccc1 ZINC000816113605 1136678195 /nfs/dbraw/zinc/67/81/95/1136678195.db2.gz WSJOXFCAGFVPDO-SJORKVTESA-N -1 0 349.427 3.541 20 0 EHADRM CC[C@@H](C)CO[N-]C(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000816980632 1136769780 /nfs/dbraw/zinc/76/97/80/1136769780.db2.gz PISIYLHIKJTMRD-SNVBAGLBSA-N -1 0 333.325 3.970 20 0 EHADRM CCC(CC)[C@H]1C[C@@H](NC(=O)c2ccc3oc(=S)[n-]c3c2)CCO1 ZINC000816964891 1136770022 /nfs/dbraw/zinc/77/00/22/1136770022.db2.gz MYSGSPMINNVJHO-XJKSGUPXSA-N -1 0 348.468 3.830 20 0 EHADRM O=C([O-])CC1(CC(=O)NCC[C@@H]2CC2(Cl)Cl)CCCCC1 ZINC000856718543 1136802351 /nfs/dbraw/zinc/80/23/51/1136802351.db2.gz MMZSZAZHMQEWKH-LLVKDONJSA-N -1 0 336.259 3.502 20 0 EHADRM C[C@H](c1ccc(C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])cc1)C(F)(F)F ZINC000856723036 1136803083 /nfs/dbraw/zinc/80/30/83/1136803083.db2.gz VJJBJMHRLQPKOO-MFKMUULPSA-N -1 0 345.361 3.972 20 0 EHADRM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)[N-]OC1CCCCC1 ZINC000857492948 1136876732 /nfs/dbraw/zinc/87/67/32/1136876732.db2.gz PGPHNEDUSMNJHS-LLVKDONJSA-N -1 0 331.334 3.853 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N[C@@H](C)c2ccc(C)cc2)n1 ZINC001136178515 1136899861 /nfs/dbraw/zinc/89/98/61/1136899861.db2.gz YBYUEGFMIVGEJL-HNNXBMFYSA-N -1 0 349.434 3.940 20 0 EHADRM COc1cc(OC)cc([C@H](C)Nc2ncc(Cl)cc2C(=O)[O-])c1 ZINC001170930379 1136950737 /nfs/dbraw/zinc/95/07/37/1136950737.db2.gz PNSOTWRRJVUADI-VIFPVBQESA-N -1 0 336.775 3.624 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)n2[n-]c(=O)c3ccc(OC)cc32)cc1 ZINC000819967737 1136967444 /nfs/dbraw/zinc/96/74/44/1136967444.db2.gz LGNMFKVDHYXOSW-LBPRGKRZSA-N -1 0 340.379 3.593 20 0 EHADRM O=C([N-]c1nnc(C2CCCCC2)s1)c1ocnc1C(F)F ZINC000858693011 1136987291 /nfs/dbraw/zinc/98/72/91/1136987291.db2.gz CRSJTKORSAGKJA-UHFFFAOYSA-N -1 0 328.344 3.764 20 0 EHADRM CC(C)[C@H]1CCN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])C1 ZINC000820745243 1137004625 /nfs/dbraw/zinc/00/46/25/1137004625.db2.gz CTXTXVOFKMQRMW-AWEZNQCLSA-N -1 0 327.380 3.583 20 0 EHADRM CC(C)COC(=O)Nc1cccc(NC(=O)c2cccc(O)c2F)c1 ZINC001136400377 1137013125 /nfs/dbraw/zinc/01/31/25/1137013125.db2.gz KVOCEWZHKWTZPF-UHFFFAOYSA-N -1 0 346.358 3.988 20 0 EHADRM C[C@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1csc2ccccc21 ZINC000821053674 1137016074 /nfs/dbraw/zinc/01/60/74/1137016074.db2.gz FKQAPKCEZJTZKN-RYUDHWBXSA-N -1 0 337.466 3.533 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])C[C@@H]1C ZINC000821454794 1137028266 /nfs/dbraw/zinc/02/82/66/1137028266.db2.gz XXJBMUXGPUGEIH-OLZOCXBDSA-N -1 0 327.380 3.583 20 0 EHADRM CC(C)CO[N-]C(=O)C(C)(C)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000860346186 1137056730 /nfs/dbraw/zinc/05/67/30/1137056730.db2.gz VYPBKIOLXWPBKA-CYBMUJFWSA-N -1 0 334.243 3.757 20 0 EHADRM C[C@H]1CC2(CCC2)CN1C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000822439322 1137059801 /nfs/dbraw/zinc/05/98/01/1137059801.db2.gz LQLZWERVFWGLFS-ZDUSSCGKSA-N -1 0 339.391 3.869 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000013403342 1137080768 /nfs/dbraw/zinc/08/07/68/1137080768.db2.gz DALYGYWWZUSMOP-MDWZMJQESA-N -1 0 339.391 3.891 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1ccc(COC(C)C)cc1 ZINC000013432893 1137082106 /nfs/dbraw/zinc/08/21/06/1137082106.db2.gz BLSXVNPNLWYPFY-UHFFFAOYSA-N -1 0 327.380 3.871 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1ccc(Br)s1 ZINC000013432329 1137082131 /nfs/dbraw/zinc/08/21/31/1137082131.db2.gz KUWQDUWQQCTRQG-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM CC[C@H]1CCN(c2nc(-c3ccc(OC)c4c([O-])coc43)cs2)C1 ZINC000823326341 1137095300 /nfs/dbraw/zinc/09/53/00/1137095300.db2.gz AHRZVEZXEYLVLA-NSHDSACASA-N -1 0 344.436 3.630 20 0 EHADRM Cc1n[nH]c(C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2Cl)c1[O-] ZINC001136714687 1137097748 /nfs/dbraw/zinc/09/77/48/1137097748.db2.gz SRPLPGNTFMSJCM-RXMQYKEDSA-N -1 0 348.617 3.875 20 0 EHADRM O=C(Nc1cccc(Oc2cccnn2)c1)c1ccc([O-])c(Cl)c1 ZINC001136778143 1137113907 /nfs/dbraw/zinc/11/39/07/1137113907.db2.gz WCBWKLZRDHAWSA-UHFFFAOYSA-N -1 0 341.754 3.880 20 0 EHADRM CCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc(C(F)(F)F)c2[O-])C1(C)C ZINC001136924387 1137148878 /nfs/dbraw/zinc/14/88/78/1137148878.db2.gz XPGKOCWJFSSJOF-CHWSQXEVSA-N -1 0 345.361 3.687 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)Nc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000824963922 1137159528 /nfs/dbraw/zinc/15/95/28/1137159528.db2.gz YCYUVWMVGPCVAH-QWHCGFSZSA-N -1 0 329.421 3.887 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)/C=C\c1ccccc1Cl)CC2 ZINC000204032104 1137192094 /nfs/dbraw/zinc/19/20/94/1137192094.db2.gz AQGLWQDAOGIMSS-FPLPWBNLSA-N -1 0 341.794 3.636 20 0 EHADRM O=C(N[C@H]1CCc2ccc(Cl)cc21)C(F)(F)c1nccs1 ZINC000863635392 1137195589 /nfs/dbraw/zinc/19/55/89/1137195589.db2.gz JMTXTVPQWDEGIT-NSHDSACASA-N -1 0 328.771 3.692 20 0 EHADRM O=c1cc(CN2CC[C@H](C(F)(F)F)C2)c2cc(Cl)c([O-])cc2o1 ZINC000794562367 1137203918 /nfs/dbraw/zinc/20/39/18/1137203918.db2.gz OBCKEAZBXMQNIZ-VIFPVBQESA-N -1 0 347.720 3.536 20 0 EHADRM O=C([O-])CCCC(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000844248830 1137204976 /nfs/dbraw/zinc/20/49/76/1137204976.db2.gz GOIVRRRUNWBLJS-UHFFFAOYSA-N -1 0 337.775 3.891 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]C(=O)CCCCC(C)(C)C)cc1 ZINC000805924437 1137206414 /nfs/dbraw/zinc/20/64/14/1137206414.db2.gz YDMNLQCAFVCAJN-UHFFFAOYSA-N -1 0 343.514 3.820 20 0 EHADRM C[C@]1(CCNC(=O)CC2(CC(=O)[O-])CCCCC2)C[C@]1(F)Cl ZINC000844269968 1137207497 /nfs/dbraw/zinc/20/74/97/1137207497.db2.gz YDMISOKESIQWAI-GOEBONIOSA-N -1 0 333.831 3.623 20 0 EHADRM CC(C)C[C@H](NC(=O)/C=C\c1cc(C(=O)[O-])co1)c1cccs1 ZINC000864106176 1137215186 /nfs/dbraw/zinc/21/51/86/1137215186.db2.gz XWMXKQDMAHEMKS-GXMNPTEKSA-N -1 0 333.409 3.956 20 0 EHADRM Cc1c(NC(=O)c2ccc3c(c2)OC(C)(C)C3)cccc1C(=O)[O-] ZINC000864113511 1137215732 /nfs/dbraw/zinc/21/57/32/1137215732.db2.gz UWYLGKWBSMVFJR-UHFFFAOYSA-N -1 0 325.364 3.659 20 0 EHADRM C[C@H](CCc1ccc(F)cc1)C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000864117448 1137216033 /nfs/dbraw/zinc/21/60/33/1137216033.db2.gz OHGGITDDHQRZHQ-RDTXWAMCSA-N -1 0 343.398 3.679 20 0 EHADRM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000864123071 1137216224 /nfs/dbraw/zinc/21/62/24/1137216224.db2.gz FJCMGZZFZLQFGQ-DGCLKSJQSA-N -1 0 331.437 3.898 20 0 EHADRM Cc1ccc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1C(F)(F)F ZINC000864132368 1137216734 /nfs/dbraw/zinc/21/67/34/1137216734.db2.gz QQSJBGCABQNJEK-ZDUSSCGKSA-N -1 0 343.345 3.873 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)/C=C/c1ccsc1C(F)(F)F ZINC000864133546 1137216767 /nfs/dbraw/zinc/21/67/67/1137216767.db2.gz RXHOVGXFVZYVLI-ZWNMCFTASA-N -1 0 347.358 3.636 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)C2([C@@H]3CCCCO3)CCC2)c1 ZINC000864149577 1137217160 /nfs/dbraw/zinc/21/71/60/1137217160.db2.gz TUXRYHDDCDFNNH-BBRMVZONSA-N -1 0 331.412 3.553 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N[C@H](C2CCCCC2)C(F)(F)F)o1 ZINC000864156736 1137217346 /nfs/dbraw/zinc/21/73/46/1137217346.db2.gz BHNPOZYDIFRMAQ-RCQQVGEISA-N -1 0 345.317 3.618 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)/C=C/c1ccsc1C(F)(F)F ZINC000864153323 1137217349 /nfs/dbraw/zinc/21/73/49/1137217349.db2.gz BLZFXTKTFJTHCH-IMXYWRDFSA-N -1 0 347.358 3.540 20 0 EHADRM CC(C)(C)c1ccc(CCCC(=O)N[C@@H]2CC=C(C(=O)[O-])C2)cc1 ZINC000864162744 1137217611 /nfs/dbraw/zinc/21/76/11/1137217611.db2.gz BSCUODFWGYSZNK-QGZVFWFLSA-N -1 0 329.440 3.596 20 0 EHADRM Cc1oc(C)c(C(=O)N[C@@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])c1C ZINC000864195334 1137218621 /nfs/dbraw/zinc/21/86/21/1137218621.db2.gz DFUDCSZBACQIEQ-SFHVURJKSA-N -1 0 349.814 3.674 20 0 EHADRM Cc1oc(C)c(C(=O)N[C@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])c1C ZINC000864195333 1137218664 /nfs/dbraw/zinc/21/86/64/1137218664.db2.gz DFUDCSZBACQIEQ-GOSISDBHSA-N -1 0 349.814 3.674 20 0 EHADRM CCCC[C@@H](C)C(=O)N1CCC(c2nc(C)c(C(=O)[O-])s2)CC1 ZINC000864225582 1137219176 /nfs/dbraw/zinc/21/91/76/1137219176.db2.gz XACFNZWOPXFZCN-LLVKDONJSA-N -1 0 338.473 3.682 20 0 EHADRM O=C([O-])C1CCC(C(=O)NCC2(c3cccc(Cl)c3)CCC2)CC1 ZINC000864216872 1137219185 /nfs/dbraw/zinc/21/91/85/1137219185.db2.gz RCLHMDKNLDCFMZ-UHFFFAOYSA-N -1 0 349.858 3.769 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)N[C@@H]2C[C@H]3C[C@@]3(C(=O)[O-])C2)cc1 ZINC000864210406 1137219211 /nfs/dbraw/zinc/21/92/11/1137219211.db2.gz NXAGNBXWLKHRIF-NRFNSJQWSA-N -1 0 327.424 3.583 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)[C@@H](C)OC2CCCCCC2)c1 ZINC000864229344 1137219436 /nfs/dbraw/zinc/21/94/36/1137219436.db2.gz KGYRYQOADMTNBR-CRAIPNDOSA-N -1 0 347.455 3.755 20 0 EHADRM CSCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(C)c2)cc1 ZINC000864230226 1137219497 /nfs/dbraw/zinc/21/94/97/1137219497.db2.gz TWDDXZDNNLPRCB-QGZVFWFLSA-N -1 0 343.448 3.804 20 0 EHADRM O=C([O-])CCCC(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000794847980 1137291359 /nfs/dbraw/zinc/29/13/59/1137291359.db2.gz LIDQCADVCSQQDQ-UHFFFAOYSA-N -1 0 341.232 3.500 20 0 EHADRM COC(C)(C)c1nsc([N-]c2ccn([C@@H](C)c3ccccc3)n2)n1 ZINC000865612009 1137298639 /nfs/dbraw/zinc/29/86/39/1137298639.db2.gz HDXBNHCKFBWWHH-LBPRGKRZSA-N -1 0 343.456 3.969 20 0 EHADRM O=C(c1cc(Br)cc(F)c1[O-])N(CC1CC1)CC1CC1 ZINC000865901325 1137319540 /nfs/dbraw/zinc/31/95/40/1137319540.db2.gz SJLSWYCNJUGSQQ-UHFFFAOYSA-N -1 0 342.208 3.556 20 0 EHADRM CC(C)n1ccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)n1 ZINC000794883843 1137322742 /nfs/dbraw/zinc/32/27/42/1137322742.db2.gz MQCCXSHYIDHKTQ-UHFFFAOYSA-N -1 0 349.456 3.586 20 0 EHADRM O=C(Nc1cc(C(F)F)ccc1F)c1nn(-c2ccccc2)cc1[O-] ZINC001144940197 1137366044 /nfs/dbraw/zinc/36/60/44/1137366044.db2.gz GNZUZLKVTWBVPA-UHFFFAOYSA-N -1 0 347.296 3.907 20 0 EHADRM O=C(Cc1csc(COc2ccccc2)n1)[N-]OC1CCCCC1 ZINC000867548288 1137381326 /nfs/dbraw/zinc/38/13/26/1137381326.db2.gz QBPSTMMZRAWQNL-UHFFFAOYSA-N -1 0 346.452 3.645 20 0 EHADRM C[C@@H]1CN(C(=O)c2c([O-])cnc3c(F)cccc32)c2ccccc2O1 ZINC001147006875 1137398703 /nfs/dbraw/zinc/39/87/03/1137398703.db2.gz HBBAEPKCYKWBMW-LLVKDONJSA-N -1 0 338.338 3.507 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC000868332130 1137406416 /nfs/dbraw/zinc/40/64/16/1137406416.db2.gz DQUOURXQMMIGHK-PXAZEXFGSA-N -1 0 349.789 3.914 20 0 EHADRM CCc1oc(C(=O)Nc2cccc(OC(F)(F)F)c2)cc1C(=O)[O-] ZINC000339087017 1137434962 /nfs/dbraw/zinc/43/49/62/1137434962.db2.gz STTPCBHUGDCRQD-UHFFFAOYSA-N -1 0 343.257 3.691 20 0 EHADRM COc1c(O)cccc1NC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001148811807 1137435506 /nfs/dbraw/zinc/43/55/06/1137435506.db2.gz LRCWAGZRGIYYBH-UHFFFAOYSA-N -1 0 328.151 3.666 20 0 EHADRM CC1(C)COC(c2ccc(Nc3cc(F)c(C(=O)[O-])c(F)c3)cc2)=N1 ZINC001203333956 1137470984 /nfs/dbraw/zinc/47/09/84/1137470984.db2.gz NBQMWWMLCMDGIV-UHFFFAOYSA-N -1 0 346.333 3.962 20 0 EHADRM O=C(CN1Cc2ccccc2-c2ccccc21)[N-]OCc1ccccc1 ZINC001171632294 1137499918 /nfs/dbraw/zinc/49/99/18/1137499918.db2.gz XAOBEVATYIEVKX-UHFFFAOYSA-N -1 0 344.414 3.922 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1C(C)C ZINC000872002730 1137564262 /nfs/dbraw/zinc/56/42/62/1137564262.db2.gz BQABUBRQKHHUTG-UHFFFAOYSA-N -1 0 338.429 3.614 20 0 EHADRM Cn1c2ccccc2nc1[C@@H]1CCCN1Cc1cc(C(=O)[O-])cs1 ZINC000872156899 1137574172 /nfs/dbraw/zinc/57/41/72/1137574172.db2.gz JJUGANCAMFPVIG-INIZCTEOSA-N -1 0 341.436 3.670 20 0 EHADRM C[C@@H]1CN(Cc2cc(C(=O)[O-])cs2)C[C@H](c2ccc(F)cc2)O1 ZINC000872159692 1137574418 /nfs/dbraw/zinc/57/44/18/1137574418.db2.gz XXCOUGXOBWKNAR-BDJLRTHQSA-N -1 0 335.400 3.547 20 0 EHADRM O=C([O-])[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000872163237 1137574726 /nfs/dbraw/zinc/57/47/26/1137574726.db2.gz BBKFBHCSYHULCF-RBZYPMLTSA-N -1 0 346.279 3.804 20 0 EHADRM O=C([O-])[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000872163238 1137574767 /nfs/dbraw/zinc/57/47/67/1137574767.db2.gz BBKFBHCSYHULCF-RULNRJAQSA-N -1 0 346.279 3.804 20 0 EHADRM CCO[C@@H](CS(=O)(=O)[N-]c1ccccc1C(F)(F)CC)C1CC1 ZINC000872409799 1137579626 /nfs/dbraw/zinc/57/96/26/1137579626.db2.gz GPCBSWIZFJXINK-HNNXBMFYSA-N -1 0 347.427 3.745 20 0 EHADRM Cc1c(NC(=O)Cc2csc(C3CCCC3)n2)cccc1C(=O)[O-] ZINC000872710389 1137583011 /nfs/dbraw/zinc/58/30/11/1137583011.db2.gz AIEHEXSJIWIZFC-UHFFFAOYSA-N -1 0 344.436 3.989 20 0 EHADRM Cc1nc(-c2ccc(C)cc2)sc1C(=O)NCCCCCC(=O)[O-] ZINC000872711779 1137583086 /nfs/dbraw/zinc/58/30/86/1137583086.db2.gz AYLGKOBBWDMTFW-UHFFFAOYSA-N -1 0 346.452 3.802 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)c2sccc2C(F)F)C(=O)[O-])cc1 ZINC000872715312 1137583210 /nfs/dbraw/zinc/58/32/10/1137583210.db2.gz ZXPJPKZAPSGAGF-GFCCVEGCSA-N -1 0 339.363 3.592 20 0 EHADRM CC1(C)[C@@H](c2cccc(Cl)c2)CCN1C(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000872761682 1137584003 /nfs/dbraw/zinc/58/40/03/1137584003.db2.gz VCAWAQOJRMEADR-QLFBSQMISA-N -1 0 335.831 3.545 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)C[C@@]2(C(=O)[O-])CCc3ccccc32)s1 ZINC000872839307 1137585362 /nfs/dbraw/zinc/58/53/62/1137585362.db2.gz PXPCNITVHCGIIM-DJJJIMSYSA-N -1 0 343.448 3.593 20 0 EHADRM Cc1cc(NC(=O)C2=C(C(=O)[O-])CCCC2)ccc1-c1ccncc1 ZINC000872869332 1137585776 /nfs/dbraw/zinc/58/57/76/1137585776.db2.gz LLPFGFNDRZPKMP-UHFFFAOYSA-N -1 0 336.391 3.951 20 0 EHADRM CC(C)C[C@@](C)(CC(=O)[O-])C(=O)NCCC[C@H]1CC1(Cl)Cl ZINC000872875726 1137585818 /nfs/dbraw/zinc/58/58/18/1137585818.db2.gz FGYOGRSFXHYKJL-FZMZJTMJSA-N -1 0 338.275 3.604 20 0 EHADRM CC[C@](C)(CC(=O)[O-])C(=O)Nc1ccc2cc(OC)c(OC)cc2c1 ZINC000872883195 1137586014 /nfs/dbraw/zinc/58/60/14/1137586014.db2.gz LQBJUVRQSNTOHY-LJQANCHMSA-N -1 0 345.395 3.687 20 0 EHADRM Nc1c(Cl)cc(NC(=O)CC2(C(=O)[O-])CCCC2)cc1Cl ZINC000872942779 1137586828 /nfs/dbraw/zinc/58/68/28/1137586828.db2.gz PDXZINDLWKDXKU-UHFFFAOYSA-N -1 0 331.199 3.549 20 0 EHADRM CCC(CC)(CC(=O)N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1)C(=O)[O-] ZINC000872988806 1137587547 /nfs/dbraw/zinc/58/75/47/1137587547.db2.gz FAYLRXFWDWQPRK-YESZJQIVSA-N -1 0 329.440 3.530 20 0 EHADRM CC(C)C[C@@](C)(CC(=O)[O-])C(=O)N[C@H](C)c1cc2cnccc2o1 ZINC000873001787 1137587724 /nfs/dbraw/zinc/58/77/24/1137587724.db2.gz UTJORJLUACSSNR-XIKOKIGWSA-N -1 0 332.400 3.532 20 0 EHADRM C[C@@H](C1CC1)N(C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])C1CC1 ZINC000873988893 1137608797 /nfs/dbraw/zinc/60/87/97/1137608797.db2.gz UNQXFYSOSFSTPJ-LBPRGKRZSA-N -1 0 339.391 3.868 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)N3CCC[C@H]3C3CCC3)c([O-])c2)o1 ZINC000874338776 1137613248 /nfs/dbraw/zinc/61/32/48/1137613248.db2.gz XJZNHGIHERXCCM-KRWDZBQOSA-N -1 0 339.391 3.869 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)N(CC1CC1)C1CCCCC1 ZINC000874410437 1137613743 /nfs/dbraw/zinc/61/37/43/1137613743.db2.gz UNOCJNSGADIUMV-UHFFFAOYSA-N -1 0 330.428 3.639 20 0 EHADRM O=Cc1cc(-c2cc(Cl)ccc2Cl)ccc1OCC(=O)[O-] ZINC000874970138 1137627259 /nfs/dbraw/zinc/62/72/59/1137627259.db2.gz MAHDBZCMYDQLTJ-UHFFFAOYSA-N -1 0 325.147 3.936 20 0 EHADRM Cc1cc(COc2ccc(C(=O)[O-])cc2-c2cccc(C=O)c2)no1 ZINC000874973304 1137627348 /nfs/dbraw/zinc/62/73/48/1137627348.db2.gz RTPZMRQJHNRVME-UHFFFAOYSA-N -1 0 337.331 3.740 20 0 EHADRM Oc1ccccc1-c1nnc(C[NH+]2CCC(Cc3ccccc3)CC2)o1 ZINC000877900090 1137694644 /nfs/dbraw/zinc/69/46/44/1137694644.db2.gz DAOBGZGEZCTEEP-UHFFFAOYSA-N -1 0 349.434 3.897 20 0 EHADRM CCC(CC)c1nnc([N-]C(=O)c2coc(-c3ccccn3)n2)s1 ZINC000878086792 1137701623 /nfs/dbraw/zinc/70/16/23/1137701623.db2.gz BNZPNNAKLFOVGC-UHFFFAOYSA-N -1 0 343.412 3.744 20 0 EHADRM Cc1cc(C)c(NC(=O)COC(=O)c2cc3ccsc3[nH]2)c(C)c1 ZINC000023345709 1137748823 /nfs/dbraw/zinc/74/88/23/1137748823.db2.gz GBAPTSIMLTWQIX-UHFFFAOYSA-N -1 0 342.420 3.950 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCC[C@H](CF)C3)n2)c1 ZINC000881596974 1137811292 /nfs/dbraw/zinc/81/12/92/1137811292.db2.gz LYMHBTWJAODFLV-CQSZACIVSA-N -1 0 345.418 3.523 20 0 EHADRM O=S(=O)([N-]c1ncsc1C1CC1)c1cc(F)cc(Cl)c1 ZINC000882772023 1137833859 /nfs/dbraw/zinc/83/38/59/1137833859.db2.gz CWSUJXQWFWAERD-UHFFFAOYSA-N -1 0 332.809 3.614 20 0 EHADRM O=S(=O)([N-]c1ncsc1C1CC1)c1ccc(F)cc1Cl ZINC000882770786 1137833862 /nfs/dbraw/zinc/83/38/62/1137833862.db2.gz ACOBQVHSBRSEIH-UHFFFAOYSA-N -1 0 332.809 3.614 20 0 EHADRM O=S(=O)(CCc1cccc(Cl)c1)[N-]c1ncsc1C1CC1 ZINC000882772617 1137833895 /nfs/dbraw/zinc/83/38/95/1137833895.db2.gz DEBVVBOPZKUQBC-UHFFFAOYSA-N -1 0 342.873 3.658 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc2c(c1)OCO2 ZINC000130137625 1137834429 /nfs/dbraw/zinc/83/44/29/1137834429.db2.gz FFZSHEMSDQCVFJ-UHFFFAOYSA-N -1 0 326.135 3.680 20 0 EHADRM CCc1ccccc1[N-]S(=O)(=O)c1cc(C(C)=O)ccc1Cl ZINC000130433062 1137837183 /nfs/dbraw/zinc/83/71/83/1137837183.db2.gz ZZIRNVUITCKPFE-UHFFFAOYSA-N -1 0 337.828 3.906 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N(C)[C@H]2CCCc3ccccc32)cc1 ZINC000107943661 1137888247 /nfs/dbraw/zinc/88/82/47/1137888247.db2.gz WFMZXNJGYYGHNL-CYFREDJKSA-N -1 0 341.476 3.639 20 0 EHADRM CC(C(=O)N(C(C)C)C(C)C)=S([O-])c1ccc2ccccc2c1 ZINC000108007836 1137888472 /nfs/dbraw/zinc/88/84/72/1137888472.db2.gz FAUNMXSSEYDLRN-NPMXOYFQSA-N -1 0 331.481 3.981 20 0 EHADRM C[C@@H]1CCC(=O)[C@@H](Sc2n[n-]c(=NC3CCCCC3)s2)C1 ZINC000331477113 1137909817 /nfs/dbraw/zinc/90/98/17/1137909817.db2.gz LGGRPNGLROGFCK-MFKMUULPSA-N -1 0 325.503 3.554 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)s[n-]1 ZINC000331550146 1137912207 /nfs/dbraw/zinc/91/22/07/1137912207.db2.gz OAJCLWKWTZRRES-CYBMUJFWSA-N -1 0 348.447 3.766 20 0 EHADRM CCCc1nc(=NC(=O)N2CCC[C@@H]2c2ccccc2C)s[n-]1 ZINC000331612546 1137914371 /nfs/dbraw/zinc/91/43/71/1137914371.db2.gz WSFYIKJIOUGJSQ-CQSZACIVSA-N -1 0 330.457 3.590 20 0 EHADRM Cc1ccc([C@H]2CCCCN2C(=O)N=c2nc(C(C)(C)C)[n-]s2)o1 ZINC000331693553 1137917355 /nfs/dbraw/zinc/91/73/55/1137917355.db2.gz ZJNOHPITZJWGTF-GFCCVEGCSA-N -1 0 348.472 3.918 20 0 EHADRM CCCCO[C@H]1C[C@@H](N(C)C(=O)c2s[n-]c(=O)c2Cl)C1(C)C ZINC000331751684 1137919213 /nfs/dbraw/zinc/91/92/13/1137919213.db2.gz GCCGGOQOGOUYAV-ZJUUUORDSA-N -1 0 346.880 3.558 20 0 EHADRM CCn1nc(C)c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C ZINC000014227550 1137931055 /nfs/dbraw/zinc/93/10/55/1137931055.db2.gz QEJIGCPZWZOVNO-UHFFFAOYSA-N -1 0 335.473 3.618 20 0 EHADRM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cn3c(n2)CCC[C@@H]3C)c1 ZINC000332111840 1137932103 /nfs/dbraw/zinc/93/21/03/1137932103.db2.gz ADDXTLRKIGHZMQ-NSHDSACASA-N -1 0 339.848 3.543 20 0 EHADRM CC[C@H]1CC[C@@H](C)N1C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000332156092 1137933842 /nfs/dbraw/zinc/93/38/42/1137933842.db2.gz UIYFIFNYDOFEON-YPMHNXCESA-N -1 0 333.819 3.634 20 0 EHADRM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C ZINC000332177539 1137934516 /nfs/dbraw/zinc/93/45/16/1137934516.db2.gz CYPBWYCNAWMBNK-NSHDSACASA-N -1 0 339.848 3.543 20 0 EHADRM CC(C)O[C@@H]1C[C@@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)C1(C)C ZINC000332476491 1137945027 /nfs/dbraw/zinc/94/50/27/1137945027.db2.gz UHSASEHOYPAJEU-CHWSQXEVSA-N -1 0 329.799 3.507 20 0 EHADRM C[C@@H]1CCCN(C(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)C1 ZINC000332718160 1137951792 /nfs/dbraw/zinc/95/17/92/1137951792.db2.gz WNKYTHLKZJGHQJ-SNVBAGLBSA-N -1 0 336.848 3.544 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N[C@H](C2CCCCC2)C(F)(F)F)o1 ZINC000826544025 1138237853 /nfs/dbraw/zinc/23/78/53/1138237853.db2.gz LUVGWOGTTAHMQL-IUCKJTJTSA-N -1 0 345.317 3.618 20 0 EHADRM CC(C)(CNC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1)CC(F)F ZINC000887312594 1138261247 /nfs/dbraw/zinc/26/12/47/1138261247.db2.gz VDJQMNJGCBLDEH-KRWDZBQOSA-N -1 0 333.419 3.845 20 0 EHADRM CC(C)(NC(=O)[C@@H]1CCC[C@@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000887315328 1138262617 /nfs/dbraw/zinc/26/26/17/1138262617.db2.gz RAAKHMGFYFAOHA-OLZOCXBDSA-N -1 0 343.345 3.558 20 0 EHADRM Cc1ccc(C)c(NC(=O)Nc2ncc(Br)cc2[O-])c1 ZINC001202753963 1138290514 /nfs/dbraw/zinc/29/05/14/1138290514.db2.gz WIVPWURTVLNENA-UHFFFAOYSA-N -1 0 336.189 3.811 20 0 EHADRM CC[C@@H](C)c1cccc(NC(=O)N[C@H](CC2CCOCC2)C(=O)[O-])c1 ZINC000887381005 1138293153 /nfs/dbraw/zinc/29/31/53/1138293153.db2.gz CVIXKBFXSYKFEZ-CXAGYDPISA-N -1 0 348.443 3.592 20 0 EHADRM CC[C@H](C)c1cccc(NC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])c1 ZINC000887380954 1138293344 /nfs/dbraw/zinc/29/33/44/1138293344.db2.gz AVSPPINUNXTEOG-GWCFXTLKSA-N -1 0 326.343 3.526 20 0 EHADRM O=C([O-])[C@@H](CC1CC1)NC(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1 ZINC000887382291 1138294154 /nfs/dbraw/zinc/29/41/54/1138294154.db2.gz CLZPHTWZEZTADP-NEPJUHHUSA-N -1 0 348.296 3.634 20 0 EHADRM CN(C(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1)C(C)(C)C(=O)[O-] ZINC000887383010 1138294309 /nfs/dbraw/zinc/29/43/09/1138294309.db2.gz ZMBCPYDJPOSSDJ-JTQLQIEISA-N -1 0 336.285 3.586 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2C(=O)N=c2ccc(C3CC3)n[n-]2)cc1 ZINC000333606713 1138310404 /nfs/dbraw/zinc/31/04/04/1138310404.db2.gz WAQHOKIWYAARFY-SFHVURJKSA-N -1 0 336.439 3.843 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)c2ccccc21 ZINC000826572711 1138396982 /nfs/dbraw/zinc/39/69/82/1138396982.db2.gz RWGKTCFQTZEMJQ-LLDVTBCESA-N -1 0 329.440 3.531 20 0 EHADRM O=c1nc(CN2CC[C@H](c3cccc(F)c3)C2)[n-]c2ccsc21 ZINC000264208299 1138443926 /nfs/dbraw/zinc/44/39/26/1138443926.db2.gz RUBUIUAZWIYCSK-LBPRGKRZSA-N -1 0 329.400 3.526 20 0 EHADRM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2cnc3ccccc3c2)c1 ZINC000337758251 1138660787 /nfs/dbraw/zinc/66/07/87/1138660787.db2.gz NDJJJOZSIRFNGD-CYBMUJFWSA-N -1 0 342.420 3.743 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@@H]2CC=C(c3ccc(F)cc3)CC2)s[n-]1 ZINC000337784718 1138666942 /nfs/dbraw/zinc/66/69/42/1138666942.db2.gz ANCKEAAMCRUGNZ-XHDPSFHLSA-N -1 0 333.432 3.855 20 0 EHADRM CSCc1ccccc1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000337872276 1138687289 /nfs/dbraw/zinc/68/72/89/1138687289.db2.gz RVYVMHLLOHCDSO-UHFFFAOYSA-N -1 0 344.461 3.899 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2C)c(F)c1 ZINC000337874097 1138687769 /nfs/dbraw/zinc/68/77/69/1138687769.db2.gz SZLQWGWOEPVLKV-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM CO[C@H](C)c1nc(=N[C@@H](C)c2ccc(-c3cccnc3)cc2)s[n-]1 ZINC000337873896 1138687831 /nfs/dbraw/zinc/68/78/31/1138687831.db2.gz PINYCOQPGUPXFG-QWHCGFSZSA-N -1 0 340.452 3.903 20 0 EHADRM CO[C@H](C)c1nc(=N[C@H](C)[C@H](OC)c2ccc(Cl)cc2)s[n-]1 ZINC000337878841 1138689224 /nfs/dbraw/zinc/68/92/24/1138689224.db2.gz SKUXWJLUBIFFHS-BREBYQMCSA-N -1 0 341.864 3.509 20 0 EHADRM CCn1c(S[C@@H](C)c2nc(C)cc(=O)[nH]2)nnc1-c1ccccc1 ZINC000134904838 1138712082 /nfs/dbraw/zinc/71/20/82/1138712082.db2.gz VVOIICJKHXISLZ-LBPRGKRZSA-N -1 0 341.440 3.622 20 0 EHADRM O=C([O-])C/C(=C/c1cccc2nccn21)c1nc2ccccc2s1 ZINC000338158888 1138768994 /nfs/dbraw/zinc/76/89/94/1138768994.db2.gz XQJYAANWHUWNHG-BENRWUELSA-N -1 0 335.388 3.959 20 0 EHADRM Cc1cnc(C(=O)Nc2cc(Cc3ccccn3)ccc2C)c([O-])c1 ZINC000338335508 1138838794 /nfs/dbraw/zinc/83/87/94/1138838794.db2.gz DPCYUQPCXVWRCC-UHFFFAOYSA-N -1 0 333.391 3.642 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)N3CCCC[C@H]3CC(C)C)cc2=O)cc1 ZINC000138377751 1138895465 /nfs/dbraw/zinc/89/54/65/1138895465.db2.gz VTNDDHMGZOGQBS-KRWDZBQOSA-N -1 0 341.455 3.515 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N(Cc1cccc(O)c1)CC1CC1 ZINC000175645356 1139506239 /nfs/dbraw/zinc/50/62/39/1139506239.db2.gz AXIFUTMXHRWARX-UHFFFAOYSA-N -1 0 331.799 3.804 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCC(COc2ccccc2)CC1 ZINC000177103489 1139597341 /nfs/dbraw/zinc/59/73/41/1139597341.db2.gz UYIFIORVPBOTHE-UHFFFAOYSA-N -1 0 347.361 3.602 20 0 EHADRM CC[C@](C)(NC(=O)c1cc(F)c(F)c([O-])c1F)c1nc(C)cs1 ZINC000180065693 1139806207 /nfs/dbraw/zinc/80/62/07/1139806207.db2.gz NCNLPHHIHCVOHD-HNNXBMFYSA-N -1 0 344.358 3.630 20 0 EHADRM C/C(=C\C(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1Cl ZINC000777393535 1140027419 /nfs/dbraw/zinc/02/74/19/1140027419.db2.gz MNHIPBKADLXYIK-YPDDLIOESA-N -1 0 335.831 3.847 20 0 EHADRM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cc(F)c(F)c([O-])c2F)s1 ZINC000183582703 1140047520 /nfs/dbraw/zinc/04/75/20/1140047520.db2.gz HKFADOMJWBXPDP-SSDOTTSWSA-N -1 0 344.358 3.716 20 0 EHADRM Cc1ccc(NC(=O)c2cc(C(=O)[O-])co2)cc1NC(=O)C(C)(C)C ZINC000183788555 1140058325 /nfs/dbraw/zinc/05/83/25/1140058325.db2.gz WBSQUOORHNBBBC-UHFFFAOYSA-N -1 0 344.367 3.523 20 0 EHADRM Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1cc(C(=O)[O-])co1 ZINC000183788501 1140058446 /nfs/dbraw/zinc/05/84/46/1140058446.db2.gz RLTVMNVYKVOHJO-UHFFFAOYSA-N -1 0 344.367 3.523 20 0 EHADRM Cn1cccc1[C@@H]1CCCCN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184471142 1140104682 /nfs/dbraw/zinc/10/46/82/1140104682.db2.gz SPRIEBHNVMCVAE-HNNXBMFYSA-N -1 0 336.794 3.891 20 0 EHADRM C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000185469786 1140151476 /nfs/dbraw/zinc/15/14/76/1140151476.db2.gz VPGYUGQMYORGFX-GXSJLCMTSA-N -1 0 348.226 3.612 20 0 EHADRM Cc1nc([C@H]2CCCN2C(=O)c2ccc3[n-]c(=S)oc3c2)cs1 ZINC000190011078 1140379391 /nfs/dbraw/zinc/37/93/91/1140379391.db2.gz IWERGPJTOKHEKE-CYBMUJFWSA-N -1 0 345.449 3.859 20 0 EHADRM CCCCCC[C@](C)(NC(=O)C[C@H](C)c1c(C)noc1C)C(=O)[O-] ZINC000191146387 1140440227 /nfs/dbraw/zinc/44/02/27/1140440227.db2.gz VIQCJHBTHRQOCI-SGTLLEGYSA-N -1 0 338.448 3.715 20 0 EHADRM Cc1cc(=O)[nH]c([C@@H](C)N[C@@H](C)c2ccc(OCC3CC3)c(F)c2)n1 ZINC000192763003 1140549703 /nfs/dbraw/zinc/54/97/03/1140549703.db2.gz GJKWBVAMDZZNHE-QWHCGFSZSA-N -1 0 345.418 3.830 20 0 EHADRM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)C2CCC(C(=O)[O-])CC2)C1 ZINC000194420452 1140608902 /nfs/dbraw/zinc/60/89/02/1140608902.db2.gz WOHOXVIEYHKTEE-VXLLPVPCSA-N -1 0 329.440 3.590 20 0 EHADRM O=C([O-])[C@H]1CC[C@@H](NC(=O)CCCc2ccc3ccccc3c2)C1 ZINC000194485061 1140610720 /nfs/dbraw/zinc/61/07/20/1140610720.db2.gz CFURCJFMJPLVPN-ZWKOTPCHSA-N -1 0 325.408 3.532 20 0 EHADRM O=C([O-])[C@H]1CC[C@@H](NC(=O)c2ccc(-c3ccc(F)cc3)cc2F)C1 ZINC000194474263 1140611145 /nfs/dbraw/zinc/61/11/45/1140611145.db2.gz IQMCMQQBBTXKLE-DZGCQCFKSA-N -1 0 345.345 3.615 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCS[C@H]2CCCC[C@@H]21 ZINC000194818968 1140622198 /nfs/dbraw/zinc/62/21/98/1140622198.db2.gz LUWCWPKFBSJJJC-STQMWFEESA-N -1 0 329.824 3.685 20 0 EHADRM CSc1nc(NC(=O)[C@H](C)c2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000266891157 1140734972 /nfs/dbraw/zinc/73/49/72/1140734972.db2.gz AQMOPQGNQQHYJA-ZCFIWIBFSA-N -1 0 331.228 3.576 20 0 EHADRM O=C(CC[C@H]1CCCO1)Nc1cc(Cl)cc(Br)c1[O-] ZINC000267387974 1140785712 /nfs/dbraw/zinc/78/57/12/1140785712.db2.gz WIBPAJYTRLHWAD-SECBINFHSA-N -1 0 348.624 3.706 20 0 EHADRM C[C@H](O)CCN(C)C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000269072722 1141060122 /nfs/dbraw/zinc/06/01/22/1141060122.db2.gz ADHRFTSNAPFWGQ-LBPRGKRZSA-N -1 0 333.815 3.556 20 0 EHADRM CC1=CCN(C(=O)c2cc(Br)cc(Cl)c2[O-])CC1 ZINC000270087619 1141177747 /nfs/dbraw/zinc/17/77/47/1141177747.db2.gz GGZWNZBPKUWHOJ-UHFFFAOYSA-N -1 0 330.609 3.600 20 0 EHADRM COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000271369339 1141352748 /nfs/dbraw/zinc/35/27/48/1141352748.db2.gz HSIQCNRFACDSNR-DIFFPNOSSA-N -1 0 349.814 3.560 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCc2nc3ccccc3s2)cc1 ZINC000049478370 214012031 /nfs/dbraw/zinc/01/20/31/214012031.db2.gz UTBZFVNVJMDSEL-UHFFFAOYSA-N -1 0 326.377 3.566 20 0 EHADRM O=C([O-])c1ccc(CN2C(=O)S/C(=C\c3cccs3)C2=O)cc1 ZINC000103223077 219271760 /nfs/dbraw/zinc/27/17/60/219271760.db2.gz JUMVCNVNWASXCF-JYRVWZFOSA-N -1 0 345.401 3.683 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)c1sc2cc(F)ccc2c1Cl ZINC000038022649 213191654 /nfs/dbraw/zinc/19/16/54/213191654.db2.gz GOMWQZYSPDXMKY-UHFFFAOYSA-N -1 0 329.780 3.631 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1nc(Cl)ccc1Cl ZINC000037976722 213179823 /nfs/dbraw/zinc/17/98/23/213179823.db2.gz ILCSCRNKSPOKAF-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1cccnc1Cl ZINC000035099206 213008675 /nfs/dbraw/zinc/00/86/75/213008675.db2.gz ASYRXDANLSPOQS-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(Br)s2)c(C(=O)[O-])c1 ZINC000019488888 212032586 /nfs/dbraw/zinc/03/25/86/212032586.db2.gz MDOJHZMGROWMEL-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM CC(C)CCc1nnc([N-]C(=O)c2nnc(C(C)(C)C)s2)s1 ZINC000617094656 480092367 /nfs/dbraw/zinc/09/23/67/480092367.db2.gz POKFOLWWVYOSDH-UHFFFAOYSA-N -1 0 339.490 3.528 20 0 EHADRM CCC(CC)(CC(=O)N[C@@H](C)c1ccccc1OC(F)F)C(=O)[O-] ZINC000298325038 521386617 /nfs/dbraw/zinc/38/66/17/521386617.db2.gz UNMGDWIGSKJQIY-NSHDSACASA-N -1 0 343.370 3.746 20 0 EHADRM Cc1ccc(Br)cc1NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000037367996 525984345 /nfs/dbraw/zinc/98/43/45/525984345.db2.gz QQXOJBRDNHIWRH-UHFFFAOYSA-N -1 0 340.217 3.731 20 0 EHADRM Cc1cc(Sc2ccccc2)ccc1NC(=O)CSCC(=O)[O-] ZINC000740100937 597090398 /nfs/dbraw/zinc/09/03/98/597090398.db2.gz ZJZNIZVZQMQPQN-UHFFFAOYSA-N -1 0 347.461 3.903 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2ccc3c(c2)-c2ccccc2C3)C1 ZINC000769523945 597095967 /nfs/dbraw/zinc/09/59/67/597095967.db2.gz CIYCBSDRUYQGSH-AWEZNQCLSA-N -1 0 335.403 3.585 20 0 EHADRM CCc1cccc(CC)c1NC(=S)NCc1ccc(C(=O)[O-])cc1 ZINC000242511689 597163268 /nfs/dbraw/zinc/16/32/68/597163268.db2.gz BWOQZEXQUXQEFG-UHFFFAOYSA-N -1 0 342.464 3.996 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)NCCCCCC(=O)[O-])c2)oc1C ZINC000417756305 597173981 /nfs/dbraw/zinc/17/39/81/597173981.db2.gz MHYNUZMCBIXADI-UHFFFAOYSA-N -1 0 345.399 3.725 20 0 EHADRM CC[C@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)c1ccc(F)cc1F ZINC000737783299 597191970 /nfs/dbraw/zinc/19/19/70/597191970.db2.gz MKVFTNGBYMRNQP-INIZCTEOSA-N -1 0 348.349 3.865 20 0 EHADRM CCN(Cc1ccc(C)cc1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737851529 597192062 /nfs/dbraw/zinc/19/20/62/597192062.db2.gz MSBCBVROXJVPCS-UHFFFAOYSA-N -1 0 326.396 3.676 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)C1CC1 ZINC000738322183 597200332 /nfs/dbraw/zinc/20/03/32/597200332.db2.gz QEBVDFSPDZKOBN-LJQANCHMSA-N -1 0 338.407 3.895 20 0 EHADRM O=C([O-])c1ccc(CSCC(=O)Nc2c(F)cccc2F)cc1 ZINC000013066196 597284117 /nfs/dbraw/zinc/28/41/17/597284117.db2.gz JOYUAMORBJNIIG-UHFFFAOYSA-N -1 0 337.347 3.535 20 0 EHADRM O=C([O-])c1ccc(C[S@](=O)Cc2cc(-c3cccs3)on2)cc1 ZINC000819687141 597286646 /nfs/dbraw/zinc/28/66/46/597286646.db2.gz IIGURJLPVVGWBR-QHCPKHFHSA-N -1 0 347.417 3.550 20 0 EHADRM O=C([O-])c1ccc(C[S@@](=O)Cc2ncc(-c3cccs3)o2)cc1 ZINC000819691455 597287145 /nfs/dbraw/zinc/28/71/45/597287145.db2.gz MPUXVGCICKTUAE-HSZRJFAPSA-N -1 0 347.417 3.550 20 0 EHADRM C[C@H](NC(=O)Nc1ccccc1CC(=O)[O-])c1ccc(Cl)cc1 ZINC000320121990 597320571 /nfs/dbraw/zinc/32/05/71/597320571.db2.gz IXOSRKRPLCLLOO-NSHDSACASA-N -1 0 332.787 3.850 20 0 EHADRM CCc1ccc([C@H](C)NC(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000818335832 597327701 /nfs/dbraw/zinc/32/77/01/597327701.db2.gz QBGJBSXSAKSDKH-ZDUSSCGKSA-N -1 0 326.396 3.759 20 0 EHADRM C[C@H](CN(C)C(=O)Nc1ccccc1CC(=O)[O-])c1ccccc1 ZINC000818008906 597329634 /nfs/dbraw/zinc/32/96/34/597329634.db2.gz LWHYCGRLWXAWBH-CQSZACIVSA-N -1 0 326.396 3.581 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N1CCC[C@@H]1C1CCCCC1 ZINC000819610817 597332207 /nfs/dbraw/zinc/33/22/07/597332207.db2.gz VESGMEXZYRBDEH-QGZVFWFLSA-N -1 0 330.428 3.890 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2CC(=O)[O-])o1 ZINC000818885362 597333118 /nfs/dbraw/zinc/33/31/18/597333118.db2.gz QBSHTFFNAFJAOT-HNNXBMFYSA-N -1 0 328.368 3.584 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N(CC1CC1)C1CCCCC1 ZINC000819602847 597344070 /nfs/dbraw/zinc/34/40/70/597344070.db2.gz GIJNEJXTSZYZCZ-UHFFFAOYSA-N -1 0 330.428 3.890 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1ccc(-c2nc(C)c(C)o2)cc1)C(=O)[O-] ZINC000820443279 597393876 /nfs/dbraw/zinc/39/38/76/597393876.db2.gz AQXMJNXWJFIXAG-BONVTDFDSA-N -1 0 345.399 3.579 20 0 EHADRM Cc1c(Cl)cc(F)c(NC(=O)NCCCCCC(=O)[O-])c1F ZINC000417760175 597486817 /nfs/dbraw/zinc/48/68/17/597486817.db2.gz FMZZJKNYSTYLKA-UHFFFAOYSA-N -1 0 334.750 3.693 20 0 EHADRM O=C([O-])CCCSc1nnc(-c2ccccc2)n1Cc1ccco1 ZINC000821525179 597750099 /nfs/dbraw/zinc/75/00/99/597750099.db2.gz UFXDJOIWCPQIRY-UHFFFAOYSA-N -1 0 343.408 3.543 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCCc3ccccc3C2)c(F)c1 ZINC000325096376 598024891 /nfs/dbraw/zinc/02/48/91/598024891.db2.gz PDLBRECVYYBQFL-UHFFFAOYSA-N -1 0 328.343 3.504 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc([C@H]3CCCOC3)c2)c(F)c1 ZINC000821546506 598086646 /nfs/dbraw/zinc/08/66/46/598086646.db2.gz VJXXGQFKLFUGCW-HNNXBMFYSA-N -1 0 343.354 3.670 20 0 EHADRM O=C([O-])C1CCC(Nc2cccc(NC(=O)c3ccoc3)c2)CC1 ZINC000263490513 598110671 /nfs/dbraw/zinc/11/06/71/598110671.db2.gz RAJIKIHDVGEFDR-UHFFFAOYSA-N -1 0 328.368 3.587 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)c2cccc(C(=O)[O-])c2)c1C1CC1 ZINC000820273158 598149220 /nfs/dbraw/zinc/14/92/20/598149220.db2.gz VCCMHMYFNBRECL-NSHDSACASA-N -1 0 327.384 3.682 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccc(F)cc2Br)c1 ZINC000035347733 598150620 /nfs/dbraw/zinc/15/06/20/598150620.db2.gz WGTKYYJCQFDERK-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM COc1ccccc1[C@H](NCc1cccc(C(=O)[O-])c1)c1ccco1 ZINC000820876806 598204733 /nfs/dbraw/zinc/20/47/33/598204733.db2.gz ZKPAXQNAAAXBJS-IBGZPJMESA-N -1 0 337.375 3.866 20 0 EHADRM Cc1cc(NC(=O)N2CC[C@@H](c3ccccc3F)C2)ccc1C(=O)[O-] ZINC000738437231 599701609 /nfs/dbraw/zinc/70/16/09/599701609.db2.gz KXKIHVALKDXLSL-CYBMUJFWSA-N -1 0 342.370 3.854 20 0 EHADRM CN(Cc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000390728256 599703693 /nfs/dbraw/zinc/70/36/93/599703693.db2.gz OBQSHVSJCIJORH-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM COc1ccc([C@H](C)C(=O)Nc2sc(C)c(C)c2C(=O)[O-])cc1 ZINC000737945481 599707756 /nfs/dbraw/zinc/70/77/56/599707756.db2.gz AMNOOUVVKDSXTG-JTQLQIEISA-N -1 0 333.409 3.814 20 0 EHADRM C[C@@H](CN(C)C(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC000736569023 599711685 /nfs/dbraw/zinc/71/16/85/599711685.db2.gz IDYPFJGDWYDHBT-AWEZNQCLSA-N -1 0 326.396 3.581 20 0 EHADRM Cc1cc(C(=O)N(C)c2ccccc2C(=O)[O-])cc(C)c1OC(F)F ZINC000738203638 599715321 /nfs/dbraw/zinc/71/53/21/599715321.db2.gz ZKDXHJILSCPKHF-UHFFFAOYSA-N -1 0 349.333 3.880 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N[C@H]2C[C@@H]2c2ccccc2)ccc1F ZINC000740004766 599718751 /nfs/dbraw/zinc/71/87/51/599718751.db2.gz FKLDXXWPSJMULQ-OCCSQVGLSA-N -1 0 329.331 3.593 20 0 EHADRM O=C([O-])NCCCC(=O)Nc1cccc(CCCc2ccccc2)c1 ZINC000739960922 599731191 /nfs/dbraw/zinc/73/11/91/599731191.db2.gz MZRRJEIJIIAASN-UHFFFAOYSA-N -1 0 340.423 3.848 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)Cc2ccccc2C(F)(F)F)c1 ZINC000740043525 599736384 /nfs/dbraw/zinc/73/63/84/599736384.db2.gz VGXAMJRQBKTXRV-UHFFFAOYSA-N -1 0 338.285 3.977 20 0 EHADRM CCC(CC)[C@H](NC(=O)CCCN(C)C(=O)[O-])c1cccs1 ZINC000736896086 599737939 /nfs/dbraw/zinc/73/79/39/599737939.db2.gz WFZREMILIZFEIX-HNNXBMFYSA-N -1 0 326.462 3.732 20 0 EHADRM O=C([O-])CCCNC(=S)Nc1cc(F)ccc1Oc1ccccc1 ZINC000739681018 599744210 /nfs/dbraw/zinc/74/42/10/599744210.db2.gz IZJBTNDYQAWYOI-UHFFFAOYSA-N -1 0 348.399 3.769 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1 ZINC000478861683 599746197 /nfs/dbraw/zinc/74/61/97/599746197.db2.gz WXOVLEDYJWIERM-RUGDWHBFSA-N -1 0 329.440 3.597 20 0 EHADRM C[C@H](Nc1ccc(NC(=O)C(C)(C)NC(=O)[O-])cc1)c1ccccc1 ZINC000736672488 599748314 /nfs/dbraw/zinc/74/83/14/599748314.db2.gz PWKUDQKZBQJGEQ-ZDUSSCGKSA-N -1 0 341.411 3.844 20 0 EHADRM O=C([O-])NCCC(=O)Nc1ccc(OCc2ccccc2Cl)cc1 ZINC000739948214 599748909 /nfs/dbraw/zinc/74/89/09/599748909.db2.gz QPTYDEAYBKMWLG-UHFFFAOYSA-N -1 0 348.786 3.515 20 0 EHADRM O=C([O-])C1(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CCCC1 ZINC000237951167 599763617 /nfs/dbraw/zinc/76/36/17/599763617.db2.gz IFVKRQLSIPVJMC-MNOVXSKESA-N -1 0 342.222 3.611 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)c1cccc(C(=O)[O-])n1 ZINC000362537189 599765747 /nfs/dbraw/zinc/76/57/47/599765747.db2.gz GCRWOFFXQJCNCD-UHFFFAOYSA-N -1 0 336.800 3.798 20 0 EHADRM CCCN(CC(=O)[O-])Cn1nc([C@H](CC)c2ccccc2)oc1=S ZINC000737014680 599767186 /nfs/dbraw/zinc/76/71/86/599767186.db2.gz UALYLIPXJIPYSB-CQSZACIVSA-N -1 0 349.456 3.502 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)CCSc2ccccc2F)cc1 ZINC000238027714 599767864 /nfs/dbraw/zinc/76/78/64/599767864.db2.gz LFAOWTHEJQXIEP-UHFFFAOYSA-N -1 0 347.411 3.964 20 0 EHADRM O=C([O-])c1ccc2[nH]c3c(c2c1)CN(C(=O)C1CCCCCC1)CC3 ZINC000238047448 599769345 /nfs/dbraw/zinc/76/93/45/599769345.db2.gz QYFISBCLGQUCCN-UHFFFAOYSA-N -1 0 340.423 3.721 20 0 EHADRM Cc1[nH]c(C(=O)[C@@H](C)OC(=O)C[C@H](C)CC(C)C)c(C)c1C(=O)[O-] ZINC000738234455 599785202 /nfs/dbraw/zinc/78/52/02/599785202.db2.gz DOBOELBSLOBVMF-ZWNOBZJWSA-N -1 0 337.416 3.516 20 0 EHADRM Cc1ccc2c(CC(=O)O[C@@H](C)c3ccc(C(=O)[O-])o3)c[nH]c2c1 ZINC000738666031 599789983 /nfs/dbraw/zinc/78/99/83/599789983.db2.gz QEAZMAMFLQCHRY-NSHDSACASA-N -1 0 327.336 3.614 20 0 EHADRM O=C([O-])c1ccoc1COC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000740252123 599791506 /nfs/dbraw/zinc/79/15/06/599791506.db2.gz KTBRNQMCNAMVFC-SJORKVTESA-N -1 0 336.343 3.978 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)O[C@@H]1CCc2ccc(Cl)cc21 ZINC000736425022 599792812 /nfs/dbraw/zinc/79/28/12/599792812.db2.gz JMLLKZMPPNTTNW-ZIAGYGMSSA-N -1 0 325.792 3.553 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000736860736 599793974 /nfs/dbraw/zinc/79/39/74/599793974.db2.gz DRZQEOVEOSFXKT-LJQANCHMSA-N -1 0 342.395 3.597 20 0 EHADRM COc1cc2ccccc2cc1C(=O)Nc1ccsc1C(=O)[O-] ZINC000737906367 599802584 /nfs/dbraw/zinc/80/25/84/599802584.db2.gz CLTJNUHSBMVDSH-UHFFFAOYSA-N -1 0 327.361 3.860 20 0 EHADRM O=C([O-])c1coc(CSc2nc(C3CC3)nn2-c2ccccc2)c1 ZINC000740268730 599804173 /nfs/dbraw/zinc/80/41/73/599804173.db2.gz GBDTULRLQAABBY-UHFFFAOYSA-N -1 0 341.392 3.728 20 0 EHADRM CC(C)(C)c1csc(CCNC(=O)Nc2cccc(C(=O)[O-])c2)n1 ZINC000736299198 599804736 /nfs/dbraw/zinc/80/47/36/599804736.db2.gz KGOADFSYXJGARR-UHFFFAOYSA-N -1 0 347.440 3.503 20 0 EHADRM COc1ccc(OC)c(NC(=S)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000013812992 599805052 /nfs/dbraw/zinc/80/50/52/599805052.db2.gz FSQFXXOSJILZGU-UHFFFAOYSA-N -1 0 346.408 3.519 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(C(F)F)cc1)c1ccc(F)cc1 ZINC000738567475 599812050 /nfs/dbraw/zinc/81/20/50/599812050.db2.gz YEYKOPZAOPYNFD-AWEZNQCLSA-N -1 0 337.297 3.709 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1)C(=O)[O-] ZINC000237040744 599816336 /nfs/dbraw/zinc/81/63/36/599816336.db2.gz NMLZYIFKYVNJKE-FHSNZYRGSA-N -1 0 343.423 3.567 20 0 EHADRM Cc1ccc(CN(C)C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)s1 ZINC000738594382 599820001 /nfs/dbraw/zinc/82/00/01/599820001.db2.gz KPBDHPTZRAVPIH-UHFFFAOYSA-N -1 0 340.351 3.697 20 0 EHADRM CCCN(CCc1ccccn1)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000737020414 599821229 /nfs/dbraw/zinc/82/12/29/599821229.db2.gz ZQHVEESACWSSAA-UHFFFAOYSA-N -1 0 341.411 3.575 20 0 EHADRM CCC[C@@H](NC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccccn1 ZINC000736974255 599822617 /nfs/dbraw/zinc/82/26/17/599822617.db2.gz PLBUKEDZQHFBJQ-QGZVFWFLSA-N -1 0 341.411 3.762 20 0 EHADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N(C)Cc1ccccc1-c1ccccc1 ZINC000736365399 599823174 /nfs/dbraw/zinc/82/31/74/599823174.db2.gz VLRHBTMROUXBLN-GOSISDBHSA-N -1 0 340.423 3.604 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)Nc2ccc(CCC(=O)[O-])cc2)o1 ZINC000736766322 599824734 /nfs/dbraw/zinc/82/47/34/599824734.db2.gz RGWIEZVKQKFFRO-WBMJQRKESA-N -1 0 342.395 3.742 20 0 EHADRM Cc1cc(C(=O)N(C)C(C)(C)C(=O)[O-])sc1-c1ccc(F)cc1 ZINC000262249392 599827374 /nfs/dbraw/zinc/82/73/74/599827374.db2.gz ZDQYGFIXZQNUEX-UHFFFAOYSA-N -1 0 335.400 3.798 20 0 EHADRM CCOc1c(Cl)cc(/C=C(/C(=O)[O-])c2ccncc2)cc1OC ZINC000737179769 599831134 /nfs/dbraw/zinc/83/11/34/599831134.db2.gz SOHAVXBPGWAYLI-MDWZMJQESA-N -1 0 333.771 3.768 20 0 EHADRM CCSc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)cn1 ZINC000737230383 599834501 /nfs/dbraw/zinc/83/45/01/599834501.db2.gz WVOXEIVBCCHWPL-UHFFFAOYSA-N -1 0 348.449 3.694 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1OC(=O)/C=C/c1cncc(F)c1 ZINC000739215828 599840186 /nfs/dbraw/zinc/84/01/86/599840186.db2.gz HDYPHKQUJHPBDZ-AATRIKPKSA-N -1 0 337.306 3.691 20 0 EHADRM CN(CCCC(=O)N(Cc1ccccc1)C1CCCCC1)C(=O)[O-] ZINC000737416722 599841559 /nfs/dbraw/zinc/84/15/59/599841559.db2.gz DZZYMOIGWNEIMO-UHFFFAOYSA-N -1 0 332.444 3.738 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)c1cc2ccccc2c(Cl)n1 ZINC000325992144 599843907 /nfs/dbraw/zinc/84/39/07/599843907.db2.gz DBRLGOOWFKTPHL-UHFFFAOYSA-N -1 0 344.729 3.978 20 0 EHADRM Cc1sc(-c2ccco2)nc1C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000324900262 599845186 /nfs/dbraw/zinc/84/51/86/599845186.db2.gz VDFIDSGJDCZDSP-UHFFFAOYSA-N -1 0 346.339 3.801 20 0 EHADRM C[C@H]1CCc2sc(C(=O)Nc3cccc(F)c3C(=O)[O-])cc2C1 ZINC000319682412 599845809 /nfs/dbraw/zinc/84/58/09/599845809.db2.gz VRBNWZUQOBQDRT-VIFPVBQESA-N -1 0 333.384 3.963 20 0 EHADRM CCOc1ccc(SCC(=O)Nc2cccc(F)c2C(=O)[O-])cc1 ZINC000325067205 599845913 /nfs/dbraw/zinc/84/59/13/599845913.db2.gz WBLJHIDLRWETFW-UHFFFAOYSA-N -1 0 349.383 3.653 20 0 EHADRM CC(C)OCc1ccc(C(=O)Nc2cccc(F)c2C(=O)[O-])cc1 ZINC000325060249 599846024 /nfs/dbraw/zinc/84/60/24/599846024.db2.gz STUUJSRXAFGASE-UHFFFAOYSA-N -1 0 331.343 3.701 20 0 EHADRM Cc1ccc(CCCCC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000237704208 599860603 /nfs/dbraw/zinc/86/06/03/599860603.db2.gz JJDUAYHNIKDIKO-LJQANCHMSA-N -1 0 339.435 3.520 20 0 EHADRM CCOC(=O)Nc1ccc(C(=O)Nc2cc(C)c(C(=O)[O-])s2)cc1 ZINC000737146503 599864560 /nfs/dbraw/zinc/86/45/60/599864560.db2.gz MHTVCXQKSSZINB-UHFFFAOYSA-N -1 0 348.380 3.575 20 0 EHADRM CC[C@@H](CC(=O)O[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C)C(C)C ZINC000736891411 599870831 /nfs/dbraw/zinc/87/08/31/599870831.db2.gz ACEFPYPWIIDUAZ-KBPBESRZSA-N -1 0 349.427 3.636 20 0 EHADRM Cc1oc(CSCc2nc(-c3ccc(F)cc3)no2)cc1C(=O)[O-] ZINC000738977346 599870925 /nfs/dbraw/zinc/87/09/25/599870925.db2.gz XKBJMLVZLPCOAF-UHFFFAOYSA-N -1 0 348.355 3.909 20 0 EHADRM Cc1nc(C)c(C(=O)NCc2c3ccccc3sc2C(=O)[O-])s1 ZINC000676019352 599871076 /nfs/dbraw/zinc/87/10/76/599871076.db2.gz XHDVZSLESPFAOB-UHFFFAOYSA-N -1 0 346.433 3.603 20 0 EHADRM CN(CCCC(=O)OCc1csc(C2CCCCC2)n1)C(=O)[O-] ZINC000737438088 599872871 /nfs/dbraw/zinc/87/28/71/599872871.db2.gz CFKKFBUFFLDCIJ-UHFFFAOYSA-N -1 0 340.445 3.624 20 0 EHADRM O=C([O-])c1coc(COC(=O)CCc2ccc(-c3ccccc3)o2)c1 ZINC000739251110 599877923 /nfs/dbraw/zinc/87/79/23/599877923.db2.gz HAWAHXIHNVTDMN-UHFFFAOYSA-N -1 0 340.331 3.914 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C\C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000492960776 599886707 /nfs/dbraw/zinc/88/67/07/599886707.db2.gz XZJPRPGJWJNKOO-WHLNPGIBSA-N -1 0 345.439 3.590 20 0 EHADRM O=C([O-])N1CCC[C@H](NC(=O)Nc2cccc(-c3cccs3)c2)C1 ZINC000739481408 599893717 /nfs/dbraw/zinc/89/37/17/599893717.db2.gz XFVBYQMAAIXGPG-AWEZNQCLSA-N -1 0 345.424 3.679 20 0 EHADRM Cc1nc(NC(=O)C[C@@H](c2ccccc2)C(C)C)sc1C(=O)[O-] ZINC000738359292 599897120 /nfs/dbraw/zinc/89/71/20/599897120.db2.gz FXTQLZKDLOGVNG-CYBMUJFWSA-N -1 0 332.425 3.918 20 0 EHADRM C[C@H](CN(C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)C1CC1)C(=O)[O-] ZINC000262201430 599897706 /nfs/dbraw/zinc/89/77/06/599897706.db2.gz WCIHUVVTEWZPTK-VMDGZTHMSA-N -1 0 337.419 3.655 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000740026992 599897958 /nfs/dbraw/zinc/89/79/58/599897958.db2.gz IYDKMNKUHMNOFK-UHFFFAOYSA-N -1 0 340.354 3.845 20 0 EHADRM O=C([O-])CCSc1nc2ccccc2n1CCc1ccccc1 ZINC000007344340 599906566 /nfs/dbraw/zinc/90/65/66/599906566.db2.gz WUCXCKNHFKTVLK-UHFFFAOYSA-N -1 0 326.421 3.846 20 0 EHADRM COc1ccc(C=O)c(OCc2c3ccccc3sc2C(=O)[O-])c1 ZINC000737981379 599908837 /nfs/dbraw/zinc/90/88/37/599908837.db2.gz FJSMZFMKIFYDFN-UHFFFAOYSA-N -1 0 342.372 4.000 20 0 EHADRM O=C([O-])c1cc(Oc2ccccc2)ccc1NC(=O)c1cscn1 ZINC000739475458 599909854 /nfs/dbraw/zinc/90/98/54/599909854.db2.gz LLNDIEXDXVGSCM-UHFFFAOYSA-N -1 0 340.360 3.886 20 0 EHADRM CCCCCC[C@H](C)CC(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000736983740 599912674 /nfs/dbraw/zinc/91/26/74/599912674.db2.gz GHGDWPLHDPXYHO-WMLDXEAASA-N -1 0 333.428 3.862 20 0 EHADRM CC(C)[C@H](CC(=O)N[C@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC000236647696 599912934 /nfs/dbraw/zinc/91/29/34/599912934.db2.gz PFKCGSJKZVDNRC-RBUKOAKNSA-N -1 0 339.435 3.628 20 0 EHADRM Cc1cc(NC(=O)c2ccc(Cl)nc2Cl)ccc1C(=O)[O-] ZINC000235889727 599914073 /nfs/dbraw/zinc/91/40/73/599914073.db2.gz RCCDLMROIQDTNW-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM Cc1cc(NC(=O)/C=C/c2ccc3ccccc3n2)ccc1C(=O)[O-] ZINC000237825792 599918046 /nfs/dbraw/zinc/91/80/46/599918046.db2.gz DVAHQCXVYOTYOS-PKNBQFBNSA-N -1 0 332.359 3.893 20 0 EHADRM C[C@@H](CN(C(=O)/C=C/c1ccc(C(C)(C)C)cc1)C1CC1)C(=O)[O-] ZINC000237460225 599919198 /nfs/dbraw/zinc/91/91/98/599919198.db2.gz MDBFQZPRCVUUDC-GMMCIKNFSA-N -1 0 329.440 3.709 20 0 EHADRM CCc1ccsc1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000262396605 599920035 /nfs/dbraw/zinc/92/00/35/599920035.db2.gz LKOUYTWVOWDMBZ-UHFFFAOYSA-N -1 0 335.450 3.881 20 0 EHADRM O=C([O-])c1ccc(CNc2nc(C(F)F)nc3ccccc32)cc1 ZINC000738678835 599922010 /nfs/dbraw/zinc/92/20/10/599922010.db2.gz QCXJTIXDQMEQCT-UHFFFAOYSA-N -1 0 329.306 3.878 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)CSc2ccccc2)c1 ZINC000362557169 599923298 /nfs/dbraw/zinc/92/32/98/599923298.db2.gz YJBLBTYSHMDYNR-UHFFFAOYSA-N -1 0 347.461 3.735 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)cc1F)C(=O)[O-] ZINC000236854039 599926775 /nfs/dbraw/zinc/92/67/75/599926775.db2.gz FAQPQYBQZVPSKK-PIGZYNQJSA-N -1 0 347.361 3.861 20 0 EHADRM CN(Cc1nc2ccccc2s1)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000737495720 599928297 /nfs/dbraw/zinc/92/82/97/599928297.db2.gz KODCAOQTXWHVJD-UHFFFAOYSA-N -1 0 341.392 3.658 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000740029712 599929201 /nfs/dbraw/zinc/92/92/01/599929201.db2.gz UVVSTVKURUCBJT-JQWIXIFHSA-N -1 0 330.306 3.627 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000740029998 599929308 /nfs/dbraw/zinc/92/93/08/599929308.db2.gz UVVSTVKURUCBJT-ZYHUDNBSSA-N -1 0 330.306 3.627 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)CCc1cc(F)ccc1F)c1ccccc1 ZINC000139258117 599931223 /nfs/dbraw/zinc/93/12/23/599931223.db2.gz GSFOZDBOOZJGBW-KRWDZBQOSA-N -1 0 347.361 3.620 20 0 EHADRM Cc1cccc(-c2cccc(CNC(=O)c3ccc(C(=O)[O-])nc3)c2)c1 ZINC000590435637 599932022 /nfs/dbraw/zinc/93/20/22/599932022.db2.gz KVUAEAQVYNIMNF-UHFFFAOYSA-N -1 0 346.386 3.685 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)/C=C/c1ccccc1F)c1ccccc1 ZINC000324252949 599936149 /nfs/dbraw/zinc/93/61/49/599936149.db2.gz UEBQEIHVZADAQQ-JICACKBISA-N -1 0 327.355 3.561 20 0 EHADRM CSc1ccc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000193456274 599936223 /nfs/dbraw/zinc/93/62/23/599936223.db2.gz PVMMLDXFXCCNPL-MRXNPFEDSA-N -1 0 329.421 3.744 20 0 EHADRM C[C@H](CC(=O)OCCOc1cccc(C(=O)[O-])c1)c1ccccc1F ZINC000736557086 599946956 /nfs/dbraw/zinc/94/69/56/599946956.db2.gz QIUORMYXTBWXPK-CYBMUJFWSA-N -1 0 346.354 3.640 20 0 EHADRM CCCCN(C)c1ccc(C(=O)Nc2cccc(C(=O)[O-])c2O)cc1 ZINC000736992268 599947595 /nfs/dbraw/zinc/94/75/95/599947595.db2.gz FNHGXJNLNQOZQP-UHFFFAOYSA-N -1 0 342.395 3.579 20 0 EHADRM O=C([O-])c1cccc(NC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)c1O ZINC000740228857 599949639 /nfs/dbraw/zinc/94/96/39/599949639.db2.gz RPMASLBJZBXCLR-SJORKVTESA-N -1 0 347.370 3.986 20 0 EHADRM Cc1cc(NC(=O)c2cccn2Cc2ccccc2)ccc1C(=O)[O-] ZINC000301217641 599949842 /nfs/dbraw/zinc/94/98/42/599949842.db2.gz QTITWTFOAXJXEK-UHFFFAOYSA-N -1 0 334.375 3.795 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)CNc2ccc(C(=O)[O-])c(C)c2)cc1C ZINC000738550411 599961347 /nfs/dbraw/zinc/96/13/47/599961347.db2.gz DYKZMFSPAIGGBI-HNNXBMFYSA-N -1 0 340.423 3.599 20 0 EHADRM COc1ccc(CN(C)C(=O)Nc2cc(C(=O)[O-])ccc2C)cc1C ZINC000737996588 599986855 /nfs/dbraw/zinc/98/68/55/599986855.db2.gz ZWKDHCOSKRMUCC-UHFFFAOYSA-N -1 0 342.395 3.674 20 0 EHADRM Cc1c(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)cccc1C(=O)[O-] ZINC000678976550 599995484 /nfs/dbraw/zinc/99/54/84/599995484.db2.gz ZIIRRVHWOLUQMH-QWHCGFSZSA-N -1 0 331.318 3.714 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)c1 ZINC000238153520 599995518 /nfs/dbraw/zinc/99/55/18/599995518.db2.gz ZROJSZYKVFZODX-QWRGUYRKSA-N -1 0 335.281 3.544 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c(C(=O)[O-])c1 ZINC000542518613 599996333 /nfs/dbraw/zinc/99/63/33/599996333.db2.gz XKHWPKSHKVAAHF-NWDGAFQWSA-N -1 0 331.318 3.714 20 0 EHADRM O=C([O-])[C@H](NC(=O)CCCCCc1cccs1)c1ccccc1 ZINC000238009436 599996359 /nfs/dbraw/zinc/99/63/59/599996359.db2.gz CQIFFKHOGJOXBE-QGZVFWFLSA-N -1 0 331.437 3.793 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)OCc2csc(-c3ccco3)n2)c1 ZINC000740039618 599997555 /nfs/dbraw/zinc/99/75/55/599997555.db2.gz OCJLNDPFLXEFII-UHFFFAOYSA-N -1 0 344.348 3.850 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CCC(C)(C)CC1 ZINC000736489276 600000627 /nfs/dbraw/zinc/00/06/27/600000627.db2.gz YUYZJZKRBGAKAV-UHFFFAOYSA-N -1 0 334.416 3.826 20 0 EHADRM Cn1ccc2c1cccc2NC(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000739040210 600001087 /nfs/dbraw/zinc/00/10/87/600001087.db2.gz TVKRKPGEXZXCBD-ZDUSSCGKSA-N -1 0 343.408 3.577 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)c1 ZINC000737931148 600001170 /nfs/dbraw/zinc/00/11/70/600001170.db2.gz IQUKUENXIXVBNV-CABCVRRESA-N -1 0 345.782 3.789 20 0 EHADRM CCCc1ccc(C(=O)COC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000737044427 600001504 /nfs/dbraw/zinc/00/15/04/600001504.db2.gz GOJJGBKDBBRURP-UHFFFAOYSA-N -1 0 341.363 3.769 20 0 EHADRM Cc1ccc(C(=O)[C@H](C)OC(=O)c2cccc(NC(=O)[O-])c2)cc1C ZINC000738502789 600001919 /nfs/dbraw/zinc/00/19/19/600001919.db2.gz LIRHHPYSZHJXHN-ZDUSSCGKSA-N -1 0 341.363 3.822 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(c1ncnc3cc(Cl)ccc31)C2 ZINC000740203575 600006193 /nfs/dbraw/zinc/00/61/93/600006193.db2.gz SNLHJCSEEZFGQC-UHFFFAOYSA-N -1 0 325.755 3.502 20 0 EHADRM Cc1cccc(Oc2ccccc2CNc2ccc(C(=O)[O-])nn2)c1 ZINC000738744140 600006228 /nfs/dbraw/zinc/00/62/28/600006228.db2.gz JZUIOOCVULXWEW-UHFFFAOYSA-N -1 0 335.363 3.888 20 0 EHADRM Cc1ccc(C(C)(C)CNC(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000738546513 600009686 /nfs/dbraw/zinc/00/96/86/600009686.db2.gz HEHLUAHKELKAOZ-UHFFFAOYSA-N -1 0 340.423 3.721 20 0 EHADRM Cc1ccc(NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1Cl ZINC000322047923 600009777 /nfs/dbraw/zinc/00/97/77/600009777.db2.gz SZYOYMCFNRDBFJ-UHFFFAOYSA-N -1 0 330.771 3.894 20 0 EHADRM Cc1cc(NC(=O)N[C@@H]2CCc3c2cccc3F)ccc1C(=O)[O-] ZINC000738443702 600012701 /nfs/dbraw/zinc/01/27/01/600012701.db2.gz XGDSRGIMIMPWKN-MRXNPFEDSA-N -1 0 328.343 3.641 20 0 EHADRM Cc1cccc(OC[C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000738733745 600013106 /nfs/dbraw/zinc/01/31/06/600013106.db2.gz FCUYQIIAOUZNDB-CQSZACIVSA-N -1 0 342.395 3.591 20 0 EHADRM COc1ccc([C@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000392074505 600014266 /nfs/dbraw/zinc/01/42/66/600014266.db2.gz NDUVNDWHTYHXRT-LBPRGKRZSA-N -1 0 328.368 3.585 20 0 EHADRM O=C([O-])C1CCC(NC(=O)N[C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000263075677 600018046 /nfs/dbraw/zinc/01/80/46/600018046.db2.gz UGHKCPFSBMOKFF-ABHNRTSZSA-N -1 0 344.455 3.861 20 0 EHADRM O=C([O-])c1cccc(COC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000740220750 600021554 /nfs/dbraw/zinc/02/15/54/600021554.db2.gz HWIWRSBEEIBIQO-KGLIPLIRSA-N -1 0 332.302 3.510 20 0 EHADRM C[C@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000736715899 600022095 /nfs/dbraw/zinc/02/20/95/600022095.db2.gz CRVLKFLBTCDSLE-GFCCVEGCSA-N -1 0 343.383 3.731 20 0 EHADRM CCC[C@H]1CCCC[C@@H]1NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736975930 600023462 /nfs/dbraw/zinc/02/34/62/600023462.db2.gz VGOOBXOLPSFZPG-GUYCJALGSA-N -1 0 330.428 3.769 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)Cn2ccc3ccc(Cl)cc32)c1 ZINC000739889281 600024979 /nfs/dbraw/zinc/02/49/79/600024979.db2.gz PMRDERHSJKYHGF-UHFFFAOYSA-N -1 0 343.766 3.527 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)c2ccc(OC3CCCC3)cc2)c1 ZINC000739888047 600028380 /nfs/dbraw/zinc/02/83/80/600028380.db2.gz IHVBBEAGVWWILH-UHFFFAOYSA-N -1 0 340.375 3.854 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)Nc1cccc(NC(=O)[O-])c1)CC2 ZINC000738669360 600032653 /nfs/dbraw/zinc/03/26/53/600032653.db2.gz FVCJTVZDUBOTRE-INIZCTEOSA-N -1 0 325.368 3.894 20 0 EHADRM O=C([O-])c1cccnc1SCc1nnc(-c2cccc(Cl)c2)o1 ZINC000740243344 600033563 /nfs/dbraw/zinc/03/35/63/600033563.db2.gz ZOXFVBLKKOYBQX-UHFFFAOYSA-N -1 0 347.783 3.776 20 0 EHADRM CCCN(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000737020166 600037891 /nfs/dbraw/zinc/03/78/91/600037891.db2.gz SDWYDDXLSZVTIG-UHFFFAOYSA-N -1 0 343.398 3.895 20 0 EHADRM CC(C)(C)c1ccc(CNC(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000736298025 600037914 /nfs/dbraw/zinc/03/79/14/600037914.db2.gz MHZRWQGYWNVMHO-UHFFFAOYSA-N -1 0 339.435 3.931 20 0 EHADRM CN(C(=O)CCc1ccc(C(=O)[O-])cc1)C1C2CC3CC(C2)CC1C3 ZINC000737318328 600038629 /nfs/dbraw/zinc/03/86/29/600038629.db2.gz AVYYRJKBXNTDIG-UHFFFAOYSA-N -1 0 341.451 3.601 20 0 EHADRM CC[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccccc1OC ZINC000736908702 600038814 /nfs/dbraw/zinc/03/88/14/600038814.db2.gz ZJCUCVFZZZUHNX-QGZVFWFLSA-N -1 0 341.407 3.594 20 0 EHADRM COc1ccccc1C/C(C)=C/C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000237120191 600040022 /nfs/dbraw/zinc/04/00/22/600040022.db2.gz PGTABWXBVQTQOT-ACCUITESSA-N -1 0 339.391 3.829 20 0 EHADRM CC(C)[C@H]1CCCC[C@H]1NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000325261194 600041107 /nfs/dbraw/zinc/04/11/07/600041107.db2.gz NWUFRLSFJAMVKB-IAGOWNOFSA-N -1 0 332.444 3.741 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N[C@H](c2ccccc2)C2CCC2)cc1 ZINC000238069325 600044693 /nfs/dbraw/zinc/04/46/93/600044693.db2.gz LXMZUATVNCCKSX-HXUWFJFHSA-N -1 0 337.419 3.975 20 0 EHADRM CC(C)[C@@H](Sc1ccccc1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000507288638 600049143 /nfs/dbraw/zinc/04/91/43/600049143.db2.gz FSFDDGCNTIAMQA-ZBCRRDGASA-N -1 0 335.469 3.563 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000262202217 600051930 /nfs/dbraw/zinc/05/19/30/600051930.db2.gz SJCCEWUSMORWBA-HPUBIQBYSA-N -1 0 347.455 3.645 20 0 EHADRM O=C([O-])c1cc(F)ccc1COc1ccccc1Br ZINC000071265376 600057501 /nfs/dbraw/zinc/05/75/01/600057501.db2.gz YDXOXXABLVBLDO-UHFFFAOYSA-N -1 0 325.133 3.865 20 0 EHADRM C[C@H]1CC(=O)c2c1c(F)ccc2OCc1ccc(F)cc1C(=O)[O-] ZINC000736749196 600058415 /nfs/dbraw/zinc/05/84/15/600058415.db2.gz INMNJDBHMQOVJJ-VIFPVBQESA-N -1 0 332.302 3.932 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000738119511 600059561 /nfs/dbraw/zinc/05/95/61/600059561.db2.gz HMBLPTLJLNKAAQ-RAXLEYEMSA-N -1 0 325.364 3.744 20 0 EHADRM CCOc1ccc(Oc2ccccc2NC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000262586756 600059731 /nfs/dbraw/zinc/05/97/31/600059731.db2.gz GWNXYCXYXZPYKS-HUUCEWRRSA-N -1 0 341.363 3.537 20 0 EHADRM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000739550912 600061759 /nfs/dbraw/zinc/06/17/59/600061759.db2.gz ZBJZXEZHHUMGMJ-OLZOCXBDSA-N -1 0 338.388 3.623 20 0 EHADRM CC/C(=C\C(=O)Nc1ccc(OCC(=O)[O-])cc1C)c1ccccc1 ZINC000736837453 600062457 /nfs/dbraw/zinc/06/24/57/600062457.db2.gz XLIWRLLFKULXLA-NTCAYCPXSA-N -1 0 339.391 3.891 20 0 EHADRM Cc1cccc(C[C@H](CNC(=O)c2sccc2C2CC2)C(=O)[O-])c1 ZINC000362740167 600064451 /nfs/dbraw/zinc/06/44/51/600064451.db2.gz HHQUKGJSLFZDFR-OAHLLOKOSA-N -1 0 343.448 3.607 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2ccccc2)C2CCCCC2)cn1 ZINC000194208131 600070775 /nfs/dbraw/zinc/07/07/75/600070775.db2.gz BOMCKLFQFQMWQZ-UHFFFAOYSA-N -1 0 338.407 3.755 20 0 EHADRM CC(C)[C@@H](SCc1ccccc1)C(=O)OCc1ccc(C(=O)[O-])o1 ZINC000736390760 600070963 /nfs/dbraw/zinc/07/09/63/600070963.db2.gz LRYACWBFUHDVQL-MRXNPFEDSA-N -1 0 348.420 3.979 20 0 EHADRM Cc1cc(C(=O)CCC(=O)Nc2ccc(C)cc2C(=O)[O-])c(C)s1 ZINC000738614907 600074101 /nfs/dbraw/zinc/07/41/01/600074101.db2.gz HGRUUHFCABMRDT-UHFFFAOYSA-N -1 0 345.420 3.973 20 0 EHADRM CC(C)(C)OC(=O)NCc1cccc(OCc2occc2C(=O)[O-])c1 ZINC000736284418 600078192 /nfs/dbraw/zinc/07/81/92/600078192.db2.gz XUGFRAGHIFXVRH-UHFFFAOYSA-N -1 0 347.367 3.582 20 0 EHADRM C/C(=C\C(=O)N[C@@H](C(=O)[O-])c1cccs1)c1ccccc1Cl ZINC000736120924 600080621 /nfs/dbraw/zinc/08/06/21/600080621.db2.gz LZSIROXBJPFUTL-BOLDSZDNSA-N -1 0 335.812 3.747 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(Cc1coc(-c3ccc(F)cc3)n1)C2 ZINC000392705411 600081943 /nfs/dbraw/zinc/08/19/43/600081943.db2.gz JYDMDIJVGMAMEK-UHFFFAOYSA-N -1 0 338.338 3.695 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N(C)CCc1ccccc1F ZINC000738528142 600086030 /nfs/dbraw/zinc/08/60/30/600086030.db2.gz KKISESGBQZRFMN-UHFFFAOYSA-N -1 0 330.359 3.539 20 0 EHADRM COc1ccccc1C(C)=CC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000738120790 600086409 /nfs/dbraw/zinc/08/64/09/600086409.db2.gz MZEMQQTVWCQLMD-PKNBQFBNSA-N -1 0 344.342 3.966 20 0 EHADRM O=C([O-])c1cc(F)ccc1CN(Cc1ccc(F)cc1F)C1CC1 ZINC000740075356 600086852 /nfs/dbraw/zinc/08/68/52/600086852.db2.gz LZUPDGZSMNYIKB-UHFFFAOYSA-N -1 0 335.325 3.967 20 0 EHADRM CC(C)Oc1ccc(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000736486098 600089963 /nfs/dbraw/zinc/08/99/63/600089963.db2.gz NFPDETZORZIFMY-UHFFFAOYSA-N -1 0 332.331 3.955 20 0 EHADRM O=C([O-])c1sccc1NS(=O)(=O)/C=C/c1ccccc1Cl ZINC000740288814 600094896 /nfs/dbraw/zinc/09/48/96/600094896.db2.gz HRAJPOGRAPJRSZ-SOFGYWHQSA-N -1 0 343.813 3.512 20 0 EHADRM CC(C)COc1ccc(CC(=O)OCc2cccc(C(=O)[O-])c2)cc1 ZINC000736446927 600109198 /nfs/dbraw/zinc/10/91/98/600109198.db2.gz YXKAJRDGKNGCRE-UHFFFAOYSA-N -1 0 342.391 3.706 20 0 EHADRM Cc1cc(COC(=O)Cc2ccc(OCC(C)C)cc2)oc1C(=O)[O-] ZINC000738391334 600109579 /nfs/dbraw/zinc/10/95/79/600109579.db2.gz ADQZLWISMFVOMZ-UHFFFAOYSA-N -1 0 346.379 3.607 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)c1c(F)cccc1Cl ZINC000740079803 600111545 /nfs/dbraw/zinc/11/15/45/600111545.db2.gz UVSZAEBKRBQKOQ-UHFFFAOYSA-N -1 0 326.682 3.673 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)c1cc(F)c(F)cc1Cl ZINC000740289020 600114004 /nfs/dbraw/zinc/11/40/04/600114004.db2.gz ANRGDPOMSPDCIB-UHFFFAOYSA-N -1 0 344.672 3.813 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)c1ccccc1OCC1CC1 ZINC000740078237 600117179 /nfs/dbraw/zinc/11/71/79/600117179.db2.gz OVFSDBBOMVFQPB-UHFFFAOYSA-N -1 0 344.338 3.670 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)OC(=O)CCCC(C)(C)C ZINC000738524798 600119883 /nfs/dbraw/zinc/11/98/83/600119883.db2.gz HXKJLOBHYATSCX-ZDUSSCGKSA-N -1 0 349.427 3.780 20 0 EHADRM CC1(C)CCCN1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000736732599 600123557 /nfs/dbraw/zinc/12/35/57/600123557.db2.gz KZFYTMNJRXCPQE-UHFFFAOYSA-N -1 0 336.457 3.801 20 0 EHADRM CC[C@@H](NC(=O)Nc1cccc(CSCCC(=O)[O-])c1)C(C)C ZINC000736913920 600124192 /nfs/dbraw/zinc/12/41/92/600124192.db2.gz IEPOLZVHRQEQII-OAHLLOKOSA-N -1 0 338.473 3.951 20 0 EHADRM O=C([O-])Nc1cc(NCc2nc(Cc3ccccc3)no2)ccc1F ZINC000740012625 600127627 /nfs/dbraw/zinc/12/76/27/600127627.db2.gz PEQPYTHIPVBYOU-UHFFFAOYSA-N -1 0 342.330 3.502 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)Oc1ccc(C)cc1C(=O)[O-] ZINC000738121506 600131277 /nfs/dbraw/zinc/13/12/77/600131277.db2.gz SERMVSBOXXFLEU-ZDUSSCGKSA-N -1 0 328.364 3.801 20 0 EHADRM CC[C@](NC(=O)c1cccc(C(F)F)c1)(C(=O)[O-])c1ccccc1 ZINC000736918860 600132063 /nfs/dbraw/zinc/13/20/63/600132063.db2.gz BFVCLOAKTCSOIV-GOSISDBHSA-N -1 0 333.334 3.744 20 0 EHADRM CC[C@](NC(=O)C[C@H](C)c1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC000485370076 600132973 /nfs/dbraw/zinc/13/29/73/600132973.db2.gz ADRQNIKXQOYHEU-VBKZILBWSA-N -1 0 343.398 3.826 20 0 EHADRM CCc1ccc(C(=O)CCC(=O)Oc2ccc(C)cc2C(=O)[O-])cc1 ZINC000737255898 600134388 /nfs/dbraw/zinc/13/43/88/600134388.db2.gz KMDYOYILDUYDAA-UHFFFAOYSA-N -1 0 340.375 3.824 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)Nc1ccc(C(=O)[O-])s1 ZINC000738126402 600144013 /nfs/dbraw/zinc/14/40/13/600144013.db2.gz RRLBZBBMASVPGY-LLVKDONJSA-N -1 0 333.409 3.662 20 0 EHADRM CSc1ccsc1C(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000738207553 600146981 /nfs/dbraw/zinc/14/69/81/600146981.db2.gz GGSROGCGYIPDRW-GFCCVEGCSA-N -1 0 349.477 3.833 20 0 EHADRM COc1ccc(NC(=S)Nc2ccc(CCC(=O)[O-])cc2)cc1F ZINC000738040937 600149408 /nfs/dbraw/zinc/14/94/08/600149408.db2.gz WBQSDVAZQQDUNB-UHFFFAOYSA-N -1 0 348.399 3.660 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NCCCCCC(=O)[O-] ZINC000237317080 600149947 /nfs/dbraw/zinc/14/99/47/600149947.db2.gz MTDCISSBGIHCEF-NSHDSACASA-N -1 0 346.254 3.933 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)C[C@@H](C)c2ccccc2F)C(=O)[O-])cc1 ZINC000486390486 600156547 /nfs/dbraw/zinc/15/65/47/600156547.db2.gz UPWZIVJJNWIXAL-RHSMWYFYSA-N -1 0 343.398 3.612 20 0 EHADRM C[C@@H](NC(=O)C(C)(C)NC(=O)[O-])c1ccccc1Oc1ccccc1 ZINC000736632959 600160583 /nfs/dbraw/zinc/16/05/83/600160583.db2.gz IBAFBHDETJECIH-CYBMUJFWSA-N -1 0 342.395 3.702 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1 ZINC000739549157 600161135 /nfs/dbraw/zinc/16/11/35/600161135.db2.gz SCOKPEVKUDFQJU-ZIAGYGMSSA-N -1 0 344.798 3.611 20 0 EHADRM CCCc1cc(C(=O)NC[C@H](C(=O)[O-])c2ccc(C)cc2)sc1C ZINC000486374556 600162644 /nfs/dbraw/zinc/16/26/44/600162644.db2.gz BDUXYXPPRHEORA-INIZCTEOSA-N -1 0 345.464 3.916 20 0 EHADRM O=C([O-])CCCCCNC(=O)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000414609137 600164089 /nfs/dbraw/zinc/16/40/89/600164089.db2.gz JAWTWONJVXGNIU-KRWDZBQOSA-N -1 0 336.407 3.611 20 0 EHADRM O=C([O-])Cc1ccc(OCCOc2ccc(C(F)(F)F)cc2)cc1 ZINC000392197699 600167758 /nfs/dbraw/zinc/16/77/58/600167758.db2.gz ZHWQJPFEEOIBFQ-UHFFFAOYSA-N -1 0 340.297 3.790 20 0 EHADRM CCc1cccc(NC(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)c1 ZINC000737270417 600175972 /nfs/dbraw/zinc/17/59/72/600175972.db2.gz RXLXRTOLSUIMOD-QGZVFWFLSA-N -1 0 326.396 3.547 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)Nc2cccc(OCC(=O)[O-])c2)c1C ZINC000738308854 600181131 /nfs/dbraw/zinc/18/11/31/600181131.db2.gz SJIPVOCASGIQNM-AWEZNQCLSA-N -1 0 342.395 3.650 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)Nc1cccc(C(=O)[O-])c1C)C(C)C ZINC000738787158 600181533 /nfs/dbraw/zinc/18/15/33/600181533.db2.gz TVEQMWLLDILHBD-INIZCTEOSA-N -1 0 341.411 3.915 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000736762486 600184049 /nfs/dbraw/zinc/18/40/49/600184049.db2.gz KXCCVIHLINNHIU-CPUCHLNUSA-N -1 0 340.423 3.519 20 0 EHADRM CC(C)(C)Oc1ccccc1NC(=O)N1CCC(CC(=O)[O-])CC1 ZINC000736285397 600184581 /nfs/dbraw/zinc/18/45/81/600184581.db2.gz GBLOSOOHVLROBO-UHFFFAOYSA-N -1 0 334.416 3.583 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=S)Nc2ccc3c(c2)CCC3)c2ccccc21 ZINC000739616118 600189275 /nfs/dbraw/zinc/18/92/75/600189275.db2.gz YJHBHELEFONNEC-MRXNPFEDSA-N -1 0 338.432 3.561 20 0 EHADRM CC(C)c1cnc(COC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])o1 ZINC000736718914 600189874 /nfs/dbraw/zinc/18/98/74/600189874.db2.gz VYTGYVGOXGIXAN-NSHDSACASA-N -1 0 349.408 3.720 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)c2ccc(-c3ccccc3)[nH]2)c1 ZINC000737948887 600190602 /nfs/dbraw/zinc/19/06/02/600190602.db2.gz PHZPKAQMDOSLKI-UHFFFAOYSA-N -1 0 337.331 3.608 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000236903582 600192056 /nfs/dbraw/zinc/19/20/56/600192056.db2.gz HIJINQMXJIQZKK-QGZVFWFLSA-N -1 0 343.448 3.614 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000236901470 600193351 /nfs/dbraw/zinc/19/33/51/600193351.db2.gz CEVZAWHTLYXIRT-QGZVFWFLSA-N -1 0 343.448 3.914 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)c1cc(-c2ccccc2)ccc1Cl ZINC000237023002 600194073 /nfs/dbraw/zinc/19/40/73/600194073.db2.gz GMYCCCAYMKZWLO-UHFFFAOYSA-N -1 0 331.799 3.944 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2ccc3[nH]c(C(F)F)nc3c2)cc1 ZINC000740134351 600195573 /nfs/dbraw/zinc/19/55/73/600195573.db2.gz UBNCWCOCGUPSDR-UHFFFAOYSA-N -1 0 346.289 3.556 20 0 EHADRM COc1ccc(NC(=O)[C@H](C)CSc2ccccc2)c(C(=O)[O-])c1 ZINC000738026850 600195873 /nfs/dbraw/zinc/19/58/73/600195873.db2.gz RTBBZPWUNSHTKG-GFCCVEGCSA-N -1 0 345.420 3.760 20 0 EHADRM CC(C)c1ocnc1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000736530205 600198905 /nfs/dbraw/zinc/19/89/05/600198905.db2.gz BAIFMGIZCISTFY-UHFFFAOYSA-N -1 0 348.424 3.758 20 0 EHADRM COc1ccc(C2(C(=O)Nc3ccc(C(=O)[O-])cc3F)CCC2)cc1 ZINC000261899895 600199521 /nfs/dbraw/zinc/19/95/21/600199521.db2.gz DQTDPVJNHLJFKK-UHFFFAOYSA-N -1 0 343.354 3.593 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000621556876 600201934 /nfs/dbraw/zinc/20/19/34/600201934.db2.gz UNIBRMBJRFWJFB-CYBMUJFWSA-N -1 0 341.432 3.655 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1-n1cccc1 ZINC000738513540 600202086 /nfs/dbraw/zinc/20/20/86/600202086.db2.gz QMVJEVRCZMBMTP-UHFFFAOYSA-N -1 0 338.338 3.875 20 0 EHADRM CC1=C(C(=O)[O-])[C@@H](c2cccc(F)c2)NC(=O)N1Cc1cccs1 ZINC000736750284 600206084 /nfs/dbraw/zinc/20/60/84/600206084.db2.gz JBSFHRQVZVRNBJ-OAHLLOKOSA-N -1 0 346.383 3.512 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000237372148 600206110 /nfs/dbraw/zinc/20/61/10/600206110.db2.gz LJQYIYULHICJTA-QAPCUYQASA-N -1 0 325.408 3.821 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)C[C@@H](C)c2ccccc2C)c1 ZINC000737941017 600206190 /nfs/dbraw/zinc/20/61/90/600206190.db2.gz ZJEYMJRBXWSESJ-CYBMUJFWSA-N -1 0 328.364 3.801 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000237581608 600206504 /nfs/dbraw/zinc/20/65/04/600206504.db2.gz VVGZCYNWNFAEOR-DNVCBOLYSA-N -1 0 337.419 3.527 20 0 EHADRM Cc1c(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)cccc1C(=O)[O-] ZINC000675966728 600207160 /nfs/dbraw/zinc/20/71/60/600207160.db2.gz SSHPGFJJYZLWPO-NWDGAFQWSA-N -1 0 331.318 3.714 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000262586636 600207459 /nfs/dbraw/zinc/20/74/59/600207459.db2.gz GSXPGSMEAMSICC-KDOFPFPSSA-N -1 0 343.398 3.960 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000738756915 600208021 /nfs/dbraw/zinc/20/80/21/600208021.db2.gz QJLVCNWTRHVEEB-KZULUSFZSA-N -1 0 347.361 3.709 20 0 EHADRM O=C([O-])CCC(=O)Nc1cccc(CSCc2ccccc2)c1 ZINC000338190513 600208482 /nfs/dbraw/zinc/20/84/82/600208482.db2.gz PFBMYMFRKGJGDD-UHFFFAOYSA-N -1 0 329.421 3.923 20 0 EHADRM CSc1ccc(NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])nc1 ZINC000738210899 600213670 /nfs/dbraw/zinc/21/36/70/600213670.db2.gz CPLGORAGLPUKOS-JTQLQIEISA-N -1 0 348.449 3.621 20 0 EHADRM CN(Cc1sccc1Br)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737499275 600216412 /nfs/dbraw/zinc/21/64/12/600216412.db2.gz BWYFGNLDRTUAFJ-CYBMUJFWSA-N -1 0 340.242 3.768 20 0 EHADRM CN(CC(=O)Nc1ccc2ccccc2c1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737396208 600217321 /nfs/dbraw/zinc/21/73/21/600217321.db2.gz BNIXXEDNXXCVGR-FQEVSTJZSA-N -1 0 348.402 3.536 20 0 EHADRM CC(C)COc1ccc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000262309403 600223351 /nfs/dbraw/zinc/22/33/51/600223351.db2.gz YUTRKMJXBACEEC-QGZVFWFLSA-N -1 0 339.391 3.550 20 0 EHADRM Cc1cc(/C=C/C(=O)N2CCC[C@H]2C(=O)[O-])c(C)n1C1CCCCC1 ZINC000237642463 600236213 /nfs/dbraw/zinc/23/62/13/600236213.db2.gz GENCLJMFZOZAPL-ZGKFYVQTSA-N -1 0 344.455 3.699 20 0 EHADRM O=C([O-])[C@@H]1CCCN1C(=O)c1cc(-c2ccccc2)ccc1Cl ZINC000238080172 600236682 /nfs/dbraw/zinc/23/66/82/600236682.db2.gz WAGRDDCZKRRRHS-INIZCTEOSA-N -1 0 329.783 3.696 20 0 EHADRM CC(C)(C)c1ncc(/C=C/C(=O)c2ccc(OCC(=O)[O-])cc2)s1 ZINC000078161965 600245483 /nfs/dbraw/zinc/24/54/83/600245483.db2.gz GEGQQOCLSWAKHM-CMDGGOBGSA-N -1 0 345.420 3.800 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCc1cc(Cl)cs1)c1ccccc1 ZINC000262449482 600246399 /nfs/dbraw/zinc/24/63/99/600246399.db2.gz PDMXRBMCIQJYDP-AWEZNQCLSA-N -1 0 337.828 3.666 20 0 EHADRM Cc1nonc1COc1c(Cl)cc(Cl)c(Cl)c1C(=O)[O-] ZINC000738955798 600246538 /nfs/dbraw/zinc/24/65/38/600246538.db2.gz BQMUAMIGIAXXKJ-UHFFFAOYSA-N -1 0 337.546 3.615 20 0 EHADRM CC(C)n1ccc(COc2ccc(C(=O)[O-])cc2Br)n1 ZINC000069988739 600247868 /nfs/dbraw/zinc/24/78/68/600247868.db2.gz XCPMEJJLWXBNCG-UHFFFAOYSA-N -1 0 339.189 3.504 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1cc2cc(C)ccc2o1 ZINC000738087724 600250363 /nfs/dbraw/zinc/25/03/63/600250363.db2.gz CHPVAQNDIREYSZ-UHFFFAOYSA-N -1 0 326.304 3.667 20 0 EHADRM Cc1cc(NC(=O)CCc2ccc(-c3ccccc3)[nH]2)c(C(=O)[O-])[nH]1 ZINC000738428328 600252940 /nfs/dbraw/zinc/25/29/40/600252940.db2.gz ROUJFOQLTWGISX-UHFFFAOYSA-N -1 0 337.379 3.588 20 0 EHADRM Cc1ccc2[nH]c(C(=O)Nc3ccc(OCC(=O)[O-])cc3)cc2c1C ZINC000354170914 600255238 /nfs/dbraw/zinc/25/52/38/600255238.db2.gz DCJOMMFXWCZZCE-UHFFFAOYSA-N -1 0 338.363 3.500 20 0 EHADRM Cc1cc(NC(=O)NC2(c3ccccc3F)CC2)ccc1C(=O)[O-] ZINC000738443758 600278960 /nfs/dbraw/zinc/27/89/60/600278960.db2.gz XWWXBLHWUDYKDN-UHFFFAOYSA-N -1 0 328.343 3.643 20 0 EHADRM C[C@H]1CCCC[C@@H]1NC(=S)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736784379 600279479 /nfs/dbraw/zinc/27/94/79/600279479.db2.gz IDRTUMCLIPKTTJ-WFASDCNBSA-N -1 0 335.473 3.662 20 0 EHADRM CN(Cc1ccccc1F)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000391368451 600281948 /nfs/dbraw/zinc/28/19/48/600281948.db2.gz RXAZWMANKCXOAA-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM CCO[C@@H](C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)c1ccccc1 ZINC000737155687 600282365 /nfs/dbraw/zinc/28/23/65/600282365.db2.gz AOYLOWRWDBKFRV-QGZVFWFLSA-N -1 0 342.395 3.513 20 0 EHADRM O=C([O-])c1sc(N[C@@H](c2ccccc2)[C@@H]2CCCO2)nc1Cl ZINC000740280285 600282643 /nfs/dbraw/zinc/28/26/43/600282643.db2.gz VLEQSWQAGDBKPR-QWRGUYRKSA-N -1 0 338.816 3.827 20 0 EHADRM CN(Cc1ccc(NC(=O)[C@H]2CCCc3ccccc32)cc1)C(=O)[O-] ZINC000737479382 600283525 /nfs/dbraw/zinc/28/35/25/600283525.db2.gz XWOATHBYNBLMEW-SFHVURJKSA-N -1 0 338.407 3.855 20 0 EHADRM CCOc1cccc(CNC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000737211449 600283965 /nfs/dbraw/zinc/28/39/65/600283965.db2.gz UJEDIHJEIBZXSF-UHFFFAOYSA-N -1 0 348.786 3.759 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000738262616 600290659 /nfs/dbraw/zinc/29/06/59/600290659.db2.gz GLFUDQGOTCAXRG-UHFFFAOYSA-N -1 0 342.326 3.900 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)Cc2csc3ccccc23)cc1 ZINC000739988472 600295654 /nfs/dbraw/zinc/29/56/54/600295654.db2.gz MRBUYGBXGNBBKV-UHFFFAOYSA-N -1 0 340.404 3.850 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(C(=O)N[C@H](C(=O)[O-])C(C)C)cc1F ZINC000236772340 600303799 /nfs/dbraw/zinc/30/37/99/600303799.db2.gz LCNDVSQDHFFAEU-KRWDZBQOSA-N -1 0 347.361 3.779 20 0 EHADRM Cc1[nH]c2c(cccc2C(=O)Nc2ccc(CNC(=O)[O-])cc2)c1C ZINC000738246355 600307653 /nfs/dbraw/zinc/30/76/53/600307653.db2.gz BTQNCPCLKYQCFK-UHFFFAOYSA-N -1 0 337.379 3.805 20 0 EHADRM O=C([O-])c1cccc(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000263465159 600320694 /nfs/dbraw/zinc/32/06/94/600320694.db2.gz JWAYJGPIEPJNAW-UHFFFAOYSA-N -1 0 341.251 3.702 20 0 EHADRM CCOc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000737195270 600321096 /nfs/dbraw/zinc/32/10/96/600321096.db2.gz NVPNWDCWFVBWJS-HNNXBMFYSA-N -1 0 334.755 3.721 20 0 EHADRM O=C([O-])[C@@H](OC(=O)Cc1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000739342376 600321942 /nfs/dbraw/zinc/32/19/42/600321942.db2.gz VYWACNBQPJSESX-HNNXBMFYSA-N -1 0 339.174 3.905 20 0 EHADRM O=C([O-])[C@H](OC(=O)/C=C/c1ccccc1F)c1cccc(Cl)c1 ZINC000739216500 600323455 /nfs/dbraw/zinc/32/34/55/600323455.db2.gz SLOCJAUBQSUPKI-ROJDOSBLSA-N -1 0 334.730 3.861 20 0 EHADRM O=C([O-])[C@H](OC(=O)Cc1ccccc1Cl)c1cccc(Cl)c1 ZINC000739344511 600324766 /nfs/dbraw/zinc/32/47/66/600324766.db2.gz ADDZGSQFZIXFJI-OAHLLOKOSA-N -1 0 339.174 3.905 20 0 EHADRM C[C@H](Nc1ccc(CNC(=O)[O-])cc1)c1nnc(-c2ccccc2)o1 ZINC000736670185 600326593 /nfs/dbraw/zinc/32/65/93/600326593.db2.gz DJWARCDTHJQZAG-LBPRGKRZSA-N -1 0 338.367 3.677 20 0 EHADRM CCO[C@@H](C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1)c1ccccc1 ZINC000737157238 600327343 /nfs/dbraw/zinc/32/73/43/600327343.db2.gz SHHFBANKGCQEQG-HZPDHXFCSA-N -1 0 348.782 3.787 20 0 EHADRM CN(Cc1ccc(NC(=O)NCc2ccccc2Cl)cc1)C(=O)[O-] ZINC000737480022 600330282 /nfs/dbraw/zinc/33/02/82/600330282.db2.gz DHNWFYCYSTUNJM-UHFFFAOYSA-N -1 0 347.802 3.772 20 0 EHADRM COc1ccc(NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cc1F ZINC000738033762 600337271 /nfs/dbraw/zinc/33/72/71/600337271.db2.gz DRWWUEJFIJCPEJ-UHFFFAOYSA-N -1 0 347.346 3.588 20 0 EHADRM CC(C)c1ccc([C@@H](C)NC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000736511752 600341057 /nfs/dbraw/zinc/34/10/57/600341057.db2.gz CRFBARFSGXFIFS-RHSMWYFYSA-N -1 0 344.455 3.767 20 0 EHADRM C[C@H](Cc1ccsc1)NC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736630196 600346873 /nfs/dbraw/zinc/34/68/73/600346873.db2.gz UHLJYYXZCMSWHQ-GFCCVEGCSA-N -1 0 347.440 3.611 20 0 EHADRM CN(Cc1ccc(NC(=O)NCc2cccc(Cl)c2)cc1)C(=O)[O-] ZINC000737480205 600348063 /nfs/dbraw/zinc/34/80/63/600348063.db2.gz IPNPKHSVJHRKEJ-UHFFFAOYSA-N -1 0 347.802 3.772 20 0 EHADRM CCCC[C@H]1CCC[C@H]1NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736984901 600351227 /nfs/dbraw/zinc/35/12/27/600351227.db2.gz LOUHEUZFLZFSIM-GOEBONIOSA-N -1 0 333.432 3.935 20 0 EHADRM C[C@H](SCc1noc(CCC(=O)[O-])n1)c1cccc(Cl)c1 ZINC000736709275 600351322 /nfs/dbraw/zinc/35/13/22/600351322.db2.gz OLPYVXZHQAVEHH-VIFPVBQESA-N -1 0 326.805 3.735 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000736648832 600351391 /nfs/dbraw/zinc/35/13/91/600351391.db2.gz LRTZQPPPJKCEOM-LLVKDONJSA-N -1 0 347.802 3.990 20 0 EHADRM CCC[C@@H](NC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccccn1 ZINC000736974778 600352526 /nfs/dbraw/zinc/35/25/26/600352526.db2.gz VKLUJTNBPHLKKS-MRXNPFEDSA-N -1 0 342.399 3.512 20 0 EHADRM O=C([O-])NCCOC(=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000739977054 600353871 /nfs/dbraw/zinc/35/38/71/600353871.db2.gz HVOPMVQKFPFYTI-UHFFFAOYSA-N -1 0 335.743 3.557 20 0 EHADRM C[C@H](c1cccs1)N(C)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736723010 600356814 /nfs/dbraw/zinc/35/68/14/600356814.db2.gz AKACIUBNWBZYJZ-LLVKDONJSA-N -1 0 333.413 3.741 20 0 EHADRM Cc1ccc(NC(=S)NCCc2ccc(NC(=O)[O-])cc2)cc1F ZINC000738627755 600366383 /nfs/dbraw/zinc/36/63/83/600366383.db2.gz KUANCRJCDDQKTO-UHFFFAOYSA-N -1 0 347.415 3.753 20 0 EHADRM COc1nc(C(=O)Nc2cc(C)c(C(=O)[O-])s2)cc2ccccc21 ZINC000738147741 600370623 /nfs/dbraw/zinc/37/06/23/600370623.db2.gz HVQPYLAAARDOAK-UHFFFAOYSA-N -1 0 342.376 3.564 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)NCCc2ccc(C(=O)[O-])cc2)cc1 ZINC000236975170 600373381 /nfs/dbraw/zinc/37/33/81/600373381.db2.gz PFOXXWBXENQDMF-OAHLLOKOSA-N -1 0 339.435 3.800 20 0 EHADRM C[C@H](C(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1)c1ccsc1 ZINC000262447073 600375659 /nfs/dbraw/zinc/37/56/59/600375659.db2.gz VRJKCZOLNOSQFG-NSHDSACASA-N -1 0 337.828 3.618 20 0 EHADRM Cc1cc(COc2ccc(C(=O)[O-])cc2[N+](=O)[O-])c2ccccc2n1 ZINC000327223036 600377405 /nfs/dbraw/zinc/37/74/05/600377405.db2.gz ITTMGTLTXHBORP-UHFFFAOYSA-N -1 0 338.319 3.729 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)C2(c3cccs3)CCCCC2)o1 ZINC000238106478 600379345 /nfs/dbraw/zinc/37/93/45/600379345.db2.gz CPAIDFCXAJAKRA-UHFFFAOYSA-N -1 0 333.409 3.558 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC000736852623 600379670 /nfs/dbraw/zinc/37/96/70/600379670.db2.gz NWIFEGVEHATIMB-HNNXBMFYSA-N -1 0 335.762 3.989 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C[C@H]1CCOc2ccccc21 ZINC000120192713 600380409 /nfs/dbraw/zinc/38/04/09/600380409.db2.gz FJHSQZOYMLXNLQ-CYBMUJFWSA-N -1 0 325.364 3.588 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000236576333 600380573 /nfs/dbraw/zinc/38/05/73/600380573.db2.gz OEKPCLZMTJAMKV-UHFFFAOYSA-N -1 0 335.347 3.672 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CC[C@@H](c3ccco3)C2)ccc1Cl ZINC000738672753 600380645 /nfs/dbraw/zinc/38/06/45/600380645.db2.gz RNIUEOFKZPPYSQ-SNVBAGLBSA-N -1 0 334.759 3.653 20 0 EHADRM O=C([O-])c1cc(NC(=O)C[C@H]2CCOc3ccccc32)c(F)cc1F ZINC000739220587 600381569 /nfs/dbraw/zinc/38/15/69/600381569.db2.gz AHSXDVSGJFCIDF-SNVBAGLBSA-N -1 0 347.317 3.558 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C(C)(C)Cc1ccccc1 ZINC000237267961 600381809 /nfs/dbraw/zinc/38/18/09/600381809.db2.gz PXMHASLJOZNUJR-UHFFFAOYSA-N -1 0 325.408 3.612 20 0 EHADRM O=C([O-])c1cc(NC(=O)NCCc2ccc(Cl)cc2)ccc1F ZINC000320690476 600382796 /nfs/dbraw/zinc/38/27/96/600382796.db2.gz DDZXGGPHITZAES-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM Cc1ccccc1C[C@@H](C)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000738767650 600383336 /nfs/dbraw/zinc/38/33/36/600383336.db2.gz IOGZOOWOKIXSBX-GFCCVEGCSA-N -1 0 330.359 3.585 20 0 EHADRM Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000738670947 600383524 /nfs/dbraw/zinc/38/35/24/600383524.db2.gz ORBVHQIJVXENEP-INIZCTEOSA-N -1 0 328.343 3.641 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CCC[C@@H]2c2cccs2)ccc1F ZINC000740090043 600384543 /nfs/dbraw/zinc/38/45/43/600384543.db2.gz KULVXOAYPFKHAJ-CYBMUJFWSA-N -1 0 334.372 3.954 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccc(OC)cc1 ZINC000736913621 600385237 /nfs/dbraw/zinc/38/52/37/600385237.db2.gz FBAIXVCCSVRFLR-MRXNPFEDSA-N -1 0 346.358 3.805 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CC[C@@H](c3ccccc3F)C2)ccc1F ZINC000740082055 600386187 /nfs/dbraw/zinc/38/61/87/600386187.db2.gz UJVWETFEQFXAEK-LLVKDONJSA-N -1 0 346.333 3.684 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1ccc2ccccc2n1)c1ccccc1 ZINC000736851261 600386457 /nfs/dbraw/zinc/38/64/57/600386457.db2.gz NVRCGMVCMUVMIO-GOSISDBHSA-N -1 0 334.375 3.745 20 0 EHADRM CCCOc1cccc(C(=O)NCCc2ccc(NC(=O)[O-])cc2)c1 ZINC000737035201 600387166 /nfs/dbraw/zinc/38/71/66/600387166.db2.gz ZCXNHUFZGFPVCN-UHFFFAOYSA-N -1 0 342.395 3.538 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)CCOc1cccc(C)c1)c1ccccc1 ZINC000736847466 600388105 /nfs/dbraw/zinc/38/81/05/600388105.db2.gz KHHSYLIYXVUEMY-SFHVURJKSA-N -1 0 341.407 3.660 20 0 EHADRM C[C@H](CCNC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccccc1 ZINC000324650665 600388590 /nfs/dbraw/zinc/38/85/90/600388590.db2.gz CCNPYDACUTWHKW-GFCCVEGCSA-N -1 0 330.359 3.839 20 0 EHADRM Cc1ccc(CCCNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)c(C)c1 ZINC000738589265 600389083 /nfs/dbraw/zinc/38/90/83/600389083.db2.gz LSLYUHRVSFVPAW-UHFFFAOYSA-N -1 0 344.386 3.895 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccccc1F ZINC000736321515 600390773 /nfs/dbraw/zinc/39/07/73/600390773.db2.gz FQPPJTBMNJSEGW-UHFFFAOYSA-N -1 0 348.349 3.762 20 0 EHADRM Cc1ccccc1C[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000738770374 600396544 /nfs/dbraw/zinc/39/65/44/600396544.db2.gz ZZAGIUWSEMIEAW-GFCCVEGCSA-N -1 0 330.359 3.585 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc(Oc3ccncc3)c2)s1 ZINC000739468119 600404731 /nfs/dbraw/zinc/40/47/31/600404731.db2.gz GCXUFUQEWTUFMZ-UHFFFAOYSA-N -1 0 340.360 3.886 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000237580363 600411667 /nfs/dbraw/zinc/41/16/67/600411667.db2.gz HUHMRDVPAOCVQK-CHWSQXEVSA-N -1 0 329.421 3.773 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)NC2(C(F)(F)F)CCCCC2)cc1 ZINC000739250929 600415286 /nfs/dbraw/zinc/41/52/86/600415286.db2.gz ADYSZARVDPWFPP-UHFFFAOYSA-N -1 0 343.345 3.699 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000236838922 600417756 /nfs/dbraw/zinc/41/77/56/600417756.db2.gz DNNRAZCVOSALTD-RYUDHWBXSA-N -1 0 344.238 3.857 20 0 EHADRM COCCOCc1cccc(N[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000737813850 600425893 /nfs/dbraw/zinc/42/58/93/600425893.db2.gz HSYPWQUCQTVPSQ-QGZVFWFLSA-N -1 0 349.814 3.741 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC000736716359 600426845 /nfs/dbraw/zinc/42/68/45/600426845.db2.gz LBZQYHYWIWWQRJ-VIFPVBQESA-N -1 0 336.800 3.553 20 0 EHADRM CC[C@H]1c2ccccc2CCN1Cn1nc(C(=O)[O-])c(Cl)c1C ZINC000736950278 600427558 /nfs/dbraw/zinc/42/75/58/600427558.db2.gz OYFCCXYRXUEMHN-AWEZNQCLSA-N -1 0 333.819 3.510 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)c2ccccc2COc2ccccc2)c1 ZINC000740244095 600431294 /nfs/dbraw/zinc/43/12/94/600431294.db2.gz DHYKSUDTTNFKCF-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM C[C@H](N[C@H](C(=O)[O-])c1ccc(F)cc1)c1nc2ccccc2s1 ZINC000736662096 600438711 /nfs/dbraw/zinc/43/87/11/600438711.db2.gz LSENTCGIUIPAFV-BONVTDFDSA-N -1 0 330.384 3.912 20 0 EHADRM Cc1cccc(OCCCC(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000738738264 600442561 /nfs/dbraw/zinc/44/25/61/600442561.db2.gz ZTGKOVOYMCXECY-SFHVURJKSA-N -1 0 346.354 3.662 20 0 EHADRM Cc1cc(C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)c2ccccc2n1 ZINC000738347475 600443732 /nfs/dbraw/zinc/44/37/32/600443732.db2.gz NAILHZBKMIHANR-KRWDZBQOSA-N -1 0 339.322 3.665 20 0 EHADRM CC[C@@](C)(NC(=O)c1ccc(Oc2ccc(F)cc2F)cc1)C(=O)[O-] ZINC000362338155 600448167 /nfs/dbraw/zinc/44/81/67/600448167.db2.gz BOZWJRRSGBNMTR-GOSISDBHSA-N -1 0 349.333 3.740 20 0 EHADRM CC[C@](C)(NC(=O)c1ccc(Oc2ccc(F)cc2F)cc1)C(=O)[O-] ZINC000362338156 600448484 /nfs/dbraw/zinc/44/84/84/600448484.db2.gz BOZWJRRSGBNMTR-SFHVURJKSA-N -1 0 349.333 3.740 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cccc(-n2cccc2)c1)c1ccc(F)cc1 ZINC000740289916 600448953 /nfs/dbraw/zinc/44/89/53/600448953.db2.gz HMQSPRXUTBDGMU-QGZVFWFLSA-N -1 0 339.322 3.599 20 0 EHADRM COc1cccc2cc(C(=O)O[C@H](C(=O)[O-])c3ccc(F)cc3)oc21 ZINC000738113287 600450236 /nfs/dbraw/zinc/45/02/36/600450236.db2.gz CPBYKLZXILVEGO-INIZCTEOSA-N -1 0 344.294 3.563 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738840684 600451206 /nfs/dbraw/zinc/45/12/06/600451206.db2.gz GYJYNMNBVZKOFL-GFCCVEGCSA-N -1 0 337.372 3.697 20 0 EHADRM CC(C)Oc1ccccc1CC(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736493221 600453822 /nfs/dbraw/zinc/45/38/22/600453822.db2.gz OZERXARLRVTZFO-SFHVURJKSA-N -1 0 346.354 3.525 20 0 EHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)Nc2ccccn2)cc1 ZINC000736297928 600454894 /nfs/dbraw/zinc/45/48/94/600454894.db2.gz XCWZXLOUZURHRS-OAHLLOKOSA-N -1 0 341.411 3.717 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CCc2cccc(F)c2[C@@H]1C ZINC000738533788 600455286 /nfs/dbraw/zinc/45/52/86/600455286.db2.gz SUKPOBIFGDHGPQ-LBPRGKRZSA-N -1 0 342.370 3.984 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000737258116 600455462 /nfs/dbraw/zinc/45/54/62/600455462.db2.gz XOJMTOXPRWKVJG-SJKOYZFVSA-N -1 0 330.355 3.861 20 0 EHADRM O=C([O-])[C@H](OC(=O)C[C@@H]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000739222477 600456646 /nfs/dbraw/zinc/45/66/46/600456646.db2.gz MSNFIVUIAKUWOX-BFUOFWGJSA-N -1 0 342.366 3.690 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccc(-c2ccccc2)[nH]1)c1ccc(F)cc1 ZINC000740294252 600457154 /nfs/dbraw/zinc/45/71/54/600457154.db2.gz XBIFHNUXPYSFRV-KRWDZBQOSA-N -1 0 339.322 3.804 20 0 EHADRM CC(C)[C@H](OC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000736622892 600467694 /nfs/dbraw/zinc/46/76/94/600467694.db2.gz WLCRLWRKAOBOCI-MFKMUULPSA-N -1 0 332.318 3.536 20 0 EHADRM CN(Cc1ccncc1)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000737496261 600469844 /nfs/dbraw/zinc/46/98/44/600469844.db2.gz SSSXKTDDLHZWAK-UHFFFAOYSA-N -1 0 347.440 3.803 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000261710035 600472663 /nfs/dbraw/zinc/47/26/63/600472663.db2.gz POCZRNQDMGQADS-CQSZACIVSA-N -1 0 336.391 3.586 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)Nc2cccc(NC(=O)[O-])c2)s1 ZINC000738589583 600477307 /nfs/dbraw/zinc/47/73/07/600477307.db2.gz PQOWRCMMEMMCQG-JTQLQIEISA-N -1 0 333.413 3.899 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)Nc2ccc3[nH]ccc3c2)cc1 ZINC000740024019 600480664 /nfs/dbraw/zinc/48/06/64/600480664.db2.gz VTMGJTDYRLWJOD-UHFFFAOYSA-N -1 0 338.367 3.622 20 0 EHADRM CC[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000736930432 600481951 /nfs/dbraw/zinc/48/19/51/600481951.db2.gz WATNDEMXOQVOJV-KRWDZBQOSA-N -1 0 341.411 3.714 20 0 EHADRM CC[C@H](C)[C@H]1CCCCN1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736879973 600483383 /nfs/dbraw/zinc/48/33/83/600483383.db2.gz JRNWSJHXJKEJNX-XJKSGUPXSA-N -1 0 333.432 3.887 20 0 EHADRM C[C@@H]1CCCC[C@H]1CC(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000537370844 600483643 /nfs/dbraw/zinc/48/36/43/600483643.db2.gz QBICUVQNJBQTGO-WBVHZDCISA-N -1 0 347.455 3.763 20 0 EHADRM O=C([O-])CC1CCN(C(=O)c2cccc(Nc3ccccc3)c2)CC1 ZINC000738563801 600484720 /nfs/dbraw/zinc/48/47/20/600484720.db2.gz QNSAFDHRKYRLDA-UHFFFAOYSA-N -1 0 338.407 3.757 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1Cl ZINC000238187998 600486262 /nfs/dbraw/zinc/48/62/62/600486262.db2.gz UJPOPIKYTQWTJY-UHFFFAOYSA-N -1 0 332.718 3.911 20 0 EHADRM Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000738901543 600486750 /nfs/dbraw/zinc/48/67/50/600486750.db2.gz VNBPQLLTJXXVNM-UHFFFAOYSA-N -1 0 349.818 3.859 20 0 EHADRM CCCc1ccc([C@@H](NC(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C)C)cc1 ZINC000737045172 600487060 /nfs/dbraw/zinc/48/70/60/600487060.db2.gz OTUMVIFFKJMXKF-MSOLQXFVSA-N -1 0 346.471 3.842 20 0 EHADRM Cn1cc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c2ccccc21 ZINC000194062219 600487106 /nfs/dbraw/zinc/48/71/06/600487106.db2.gz VITFJVSHHIIPEA-UHFFFAOYSA-N -1 0 328.755 3.782 20 0 EHADRM CC(C)[C@@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000262909982 600487400 /nfs/dbraw/zinc/48/74/00/600487400.db2.gz DPPJBQNAFFPEOX-UKRRQHHQSA-N -1 0 338.835 3.543 20 0 EHADRM CC(C)(C)[C@H]1OCCC[C@@H]1CNc1nc(Cl)c(C(=O)[O-])s1 ZINC000736249601 600488099 /nfs/dbraw/zinc/48/80/99/600488099.db2.gz HRUVOCLCAYYXIJ-SCZZXKLOSA-N -1 0 332.853 3.748 20 0 EHADRM CC[C@H](C)[C@@H]1CCCCN1C(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC000736879240 600488936 /nfs/dbraw/zinc/48/89/36/600488936.db2.gz CAWMAUJPTBZNHA-BBRMVZONSA-N -1 0 348.443 3.504 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC000736904119 600493725 /nfs/dbraw/zinc/49/37/25/600493725.db2.gz PWWCFHARMORJCJ-MJGOQNOKSA-N -1 0 339.435 3.548 20 0 EHADRM C[C@@H](COc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000736615556 600506794 /nfs/dbraw/zinc/50/67/94/600506794.db2.gz ONNBGDWVSGZRMV-NSHDSACASA-N -1 0 348.786 3.627 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@@H]2CCc3ccc(F)cc32)cc1Cl ZINC000739465263 600510241 /nfs/dbraw/zinc/51/02/41/600510241.db2.gz VYOYFGUYAMGTDE-OAHLLOKOSA-N -1 0 348.761 3.986 20 0 EHADRM C[C@H](c1cccnc1)N(C)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000736724413 600510527 /nfs/dbraw/zinc/51/05/27/600510527.db2.gz MFFYYANLNVXHCJ-SNVBAGLBSA-N -1 0 333.775 3.658 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCCc2ccccc2F)cc1Cl ZINC000390417729 600511800 /nfs/dbraw/zinc/51/18/00/600511800.db2.gz PHSALXOHSCPAHP-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM CSCCCCC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000738139376 600521868 /nfs/dbraw/zinc/52/18/68/600521868.db2.gz DTSSJRSBMSEMHQ-UHFFFAOYSA-N -1 0 327.471 3.797 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)s1 ZINC000739337812 600521944 /nfs/dbraw/zinc/52/19/44/600521944.db2.gz FZUSIIQQRWMCOK-UHFFFAOYSA-N -1 0 334.784 3.762 20 0 EHADRM CCN(C(=O)[C@H](C)Oc1ccc(C)cc1)c1ccccc1C(=O)[O-] ZINC000737049777 600523064 /nfs/dbraw/zinc/52/30/64/600523064.db2.gz IFGMSKHFYJOGFW-AWEZNQCLSA-N -1 0 327.380 3.514 20 0 EHADRM CCN(C(=O)CCSc1ccccc1)c1ccccc1C(=O)[O-] ZINC000737052720 600523155 /nfs/dbraw/zinc/52/31/55/600523155.db2.gz HERNMUSUDGDBMA-UHFFFAOYSA-N -1 0 329.421 3.920 20 0 EHADRM O=C([O-])CC1CCN(Cc2cc(Br)ccc2Cl)CC1 ZINC000236421282 600539906 /nfs/dbraw/zinc/53/99/06/600539906.db2.gz IQFXDDOHQVRPCN-UHFFFAOYSA-N -1 0 346.652 3.789 20 0 EHADRM Cc1ccc(-c2nc(CNCc3ccc(C(=O)[O-])o3)cs2)cc1 ZINC000738490163 600525398 /nfs/dbraw/zinc/52/53/98/600525398.db2.gz JBSXNXSSXJRASA-UHFFFAOYSA-N -1 0 328.393 3.700 20 0 EHADRM CC[C@@](NC(=O)[C@@H](C)c1cccc(C)c1)(C(=O)[O-])c1ccccc1 ZINC000485371344 600527169 /nfs/dbraw/zinc/52/71/69/600527169.db2.gz GHKYWFLLYANWSZ-YWZLYKJASA-N -1 0 325.408 3.605 20 0 EHADRM Cc1cccc([C@H](C)C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c1 ZINC000237457673 600527553 /nfs/dbraw/zinc/52/75/53/600527553.db2.gz MCJLHLQGUIBXQB-HNNXBMFYSA-N -1 0 341.407 3.981 20 0 EHADRM C[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ccccc1-c1ccc(Cl)cc1 ZINC000736633079 600529764 /nfs/dbraw/zinc/52/97/64/600529764.db2.gz KDVHEQDZLBMACO-YMRXKLBXSA-N -1 0 343.810 3.905 20 0 EHADRM CCN(C(=O)c1cnc(-c2ccco2)s1)c1ccccc1C(=O)[O-] ZINC000737063012 600532392 /nfs/dbraw/zinc/53/23/92/600532392.db2.gz XNDSEOMXXBSOTL-UHFFFAOYSA-N -1 0 342.376 3.768 20 0 EHADRM CC(C)(C)[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000675985981 600532807 /nfs/dbraw/zinc/53/28/07/600532807.db2.gz VMLRMJDITCHZCD-NQBHXWOUSA-N -1 0 344.238 3.712 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2cccc(Oc3ccncc3)c2)cc1 ZINC000427982477 600536225 /nfs/dbraw/zinc/53/62/25/600536225.db2.gz RHUCNPJZPBSOGS-UHFFFAOYSA-N -1 0 348.358 3.502 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)Nc2ccc(Cl)cc2Cl)o1 ZINC000094555614 600538651 /nfs/dbraw/zinc/53/86/51/600538651.db2.gz BDSZIIMDYITJFG-UHFFFAOYSA-N -1 0 329.139 3.606 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)Nc2ccc(-c3ccccc3)cc2)o1 ZINC000327393013 600539201 /nfs/dbraw/zinc/53/92/01/600539201.db2.gz DDJZUAKQYRGDQV-UHFFFAOYSA-N -1 0 336.347 3.967 20 0 EHADRM Cc1ccc(NC(=O)NCc2ccc(C(=O)[O-])o2)cc1C(F)(F)F ZINC000391660965 600539276 /nfs/dbraw/zinc/53/92/76/600539276.db2.gz BAOJRHSQLQICGM-UHFFFAOYSA-N -1 0 342.273 3.627 20 0 EHADRM COc1cccc(C[C@H](C)NC(=O)Nc2cccc(NC(=O)[O-])c2)c1 ZINC000738094131 600547416 /nfs/dbraw/zinc/54/74/16/600547416.db2.gz DURSWMVXBPZIBN-LBPRGKRZSA-N -1 0 343.383 3.538 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)C(=O)[O-] ZINC000675985898 600552786 /nfs/dbraw/zinc/55/27/86/600552786.db2.gz GGMRJEKAJMBVHX-GFCCVEGCSA-N -1 0 343.210 3.704 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)N1CCC(C(=O)[O-])CC1 ZINC000263485221 600555589 /nfs/dbraw/zinc/55/55/89/600555589.db2.gz MJFLZMHUCCVZTH-UHFFFAOYSA-N -1 0 338.835 3.793 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000262880399 600560682 /nfs/dbraw/zinc/56/06/82/600560682.db2.gz AYAFEAITHRKHDQ-INIZCTEOSA-N -1 0 332.444 3.670 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N[C@H]1CC[C@@H](C)C[C@H]1C)C(=O)[O-] ZINC000736769734 600564522 /nfs/dbraw/zinc/56/45/22/600564522.db2.gz XLGQWOGKXRTALY-BHPKHCPMSA-N -1 0 335.469 3.806 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)CCCCC(=O)c2ccccc2)c1 ZINC000739236275 600567418 /nfs/dbraw/zinc/56/74/18/600567418.db2.gz PPRQXFRWKMGOSL-UHFFFAOYSA-N -1 0 343.354 3.906 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)Nc1ccc2[nH]ccc2c1)C(=O)[O-] ZINC000237565555 600567654 /nfs/dbraw/zinc/56/76/54/600567654.db2.gz DVUXVHBNLPGZNO-NSHDSACASA-N -1 0 340.404 3.985 20 0 EHADRM CC(C)(C(=O)Nc1cccc(CSCC(=O)[O-])c1)c1cccs1 ZINC000236729058 600572179 /nfs/dbraw/zinc/57/21/79/600572179.db2.gz ZAUDKBATOCXSMK-UHFFFAOYSA-N -1 0 349.477 3.982 20 0 EHADRM CC(C)(C(=O)Nc1ccc(OCCCC(=O)[O-])cc1)c1cccs1 ZINC000236728050 600572622 /nfs/dbraw/zinc/57/26/22/600572622.db2.gz WDFJUJQGMYVFAT-UHFFFAOYSA-N -1 0 347.436 3.908 20 0 EHADRM CC(C)C[C@@H](OC(=O)[C@H](C)Sc1ccccc1Cl)C(=O)[O-] ZINC000736428860 600574905 /nfs/dbraw/zinc/57/49/05/600574905.db2.gz WGWCZPORSIQCSW-CMPLNLGQSA-N -1 0 330.833 3.863 20 0 EHADRM C[C@H](CC(=O)[O-])S[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000736551833 600581888 /nfs/dbraw/zinc/58/18/88/600581888.db2.gz KXGGAJJMSHXORF-SFYZADRCSA-N -1 0 336.240 3.917 20 0 EHADRM CC(C)[C@H](S[C@@H](C)CC(=O)[O-])C(=O)Nc1ccccc1Cl ZINC000736550202 600585134 /nfs/dbraw/zinc/58/51/34/600585134.db2.gz MRJZNDPWUKZHAA-HZMBPMFUSA-N -1 0 329.849 3.900 20 0 EHADRM Cc1ccc(NC(=O)COc2cccc(Cl)c2C)c(C(=O)[O-])c1 ZINC000738625463 600585244 /nfs/dbraw/zinc/58/52/44/600585244.db2.gz GUMZDYPCPQOUCD-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM C[C@@H](S[C@@H](C)CC(=O)[O-])C(=O)Nc1ccc(Cl)cc1Cl ZINC000736549916 600585715 /nfs/dbraw/zinc/58/57/15/600585715.db2.gz BLDCAGDNNXREEO-JGVFFNPUSA-N -1 0 336.240 3.917 20 0 EHADRM CC(C)[C@@H](S[C@H](C)CC(=O)[O-])C(=O)N1c2ccccc2C[C@H]1C ZINC000736551910 600586914 /nfs/dbraw/zinc/58/69/14/600586914.db2.gz XUFDLRMZXNYAGL-PBFPGSCMSA-N -1 0 335.469 3.585 20 0 EHADRM COC(=O)C[C@H](C)SCc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000737599979 600588894 /nfs/dbraw/zinc/58/88/94/600588894.db2.gz XPYHRDQJJOMWRI-QMMMGPOBSA-N -1 0 342.413 3.923 20 0 EHADRM Cc1sc2nc([C@H](C)S[C@H](C)CC(=O)[O-])nc(N)c2c1C ZINC000738397474 600588953 /nfs/dbraw/zinc/58/89/53/600588953.db2.gz FLGPRWMWBBPQIM-MUWHJKNJSA-N -1 0 325.459 3.548 20 0 EHADRM Cc1ccc2c(CC(=O)N(C)[C@@H](C(=O)[O-])c3ccccc3)coc2c1 ZINC000738667561 600591098 /nfs/dbraw/zinc/59/10/98/600591098.db2.gz MUDIAPCFXRZSMS-LJQANCHMSA-N -1 0 337.375 3.568 20 0 EHADRM C[C@H](CC(=O)[O-])S[C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000736554080 600592338 /nfs/dbraw/zinc/59/23/38/600592338.db2.gz WRSGMNAQJPZRFN-HZSPNIEDSA-N -1 0 349.496 3.728 20 0 EHADRM C[C@H](CN(C)C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC000237568995 600594012 /nfs/dbraw/zinc/59/40/12/600594012.db2.gz DJAPFECUSKEHDE-ZJNQMXKESA-N -1 0 347.411 3.747 20 0 EHADRM CN(C(=O)COc1ccc2ccccc2c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737323979 600596477 /nfs/dbraw/zinc/59/64/77/600596477.db2.gz ZWOQIZWEBKFWHP-HXUWFJFHSA-N -1 0 349.386 3.503 20 0 EHADRM CC(C)[C@@H](SC[C@@H](C)C(=O)[O-])C(=O)Nc1cccc2ncccc21 ZINC000736607721 600597452 /nfs/dbraw/zinc/59/74/52/600597452.db2.gz WOCBHVBKQFUMKL-MLGOLLRUSA-N -1 0 346.452 3.652 20 0 EHADRM O=C(C=C1CCCC1)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000739211815 600598124 /nfs/dbraw/zinc/59/81/24/600598124.db2.gz ZUGVPFQXPJBQNU-GOSISDBHSA-N -1 0 337.419 3.700 20 0 EHADRM C[C@H](CSCc1nnc(-c2ccc(Cl)cc2Cl)o1)C(=O)[O-] ZINC000736618338 600599834 /nfs/dbraw/zinc/59/98/34/600599834.db2.gz NUBWJKGYKFOSJK-SSDOTTSWSA-N -1 0 347.223 3.997 20 0 EHADRM CN(C(=O)/C=C/c1ccccc1Cl)[C@H](C(=O)[O-])c1ccccc1 ZINC000737313204 600600701 /nfs/dbraw/zinc/60/07/01/600600701.db2.gz IQFOVFGXUKQJEL-FLVLSHQESA-N -1 0 329.783 3.638 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1cccs1)Cc1cccc2ccccc21 ZINC000486366051 600601664 /nfs/dbraw/zinc/60/16/64/600601664.db2.gz BCCPWQPQRZDIAR-OAHLLOKOSA-N -1 0 339.416 3.575 20 0 EHADRM COC(=O)[C@@H](C)CSCc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000737563233 600602153 /nfs/dbraw/zinc/60/21/53/600602153.db2.gz NNNONKFPGUJWJG-QMMMGPOBSA-N -1 0 342.413 3.781 20 0 EHADRM CCc1sc(-c2nnc(CSC[C@@H](C)C(=O)[O-])o2)cc1C ZINC000737291559 600604715 /nfs/dbraw/zinc/60/47/15/600604715.db2.gz CSGASXVHWJGAOF-SECBINFHSA-N -1 0 326.443 3.623 20 0 EHADRM C[C@@H](CSCC[S@@](=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000736614162 600605129 /nfs/dbraw/zinc/60/51/29/600605129.db2.gz SYUVBLKTXBITJA-WPCRTTGESA-N -1 0 341.281 3.555 20 0 EHADRM O=C([O-])CN(C(=O)c1csc(-c2cccs2)n1)c1ccccc1 ZINC000320000317 600605600 /nfs/dbraw/zinc/60/56/00/600605600.db2.gz LHYDYAQRVITXDP-UHFFFAOYSA-N -1 0 344.417 3.603 20 0 EHADRM CC/C=C(\C)C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000736947827 600606163 /nfs/dbraw/zinc/60/61/63/600606163.db2.gz FGQGBDDUHUBDEO-LQELHHAWSA-N -1 0 325.408 3.556 20 0 EHADRM O=C([O-])CN(CCc1ccc(Cl)cc1Cl)C(=O)C1CCCC1 ZINC000739794190 600607983 /nfs/dbraw/zinc/60/79/83/600607983.db2.gz WJAAMOKHVCYXBM-UHFFFAOYSA-N -1 0 344.238 3.639 20 0 EHADRM CC(C)(C)c1ccc(OCCCC(=O)N[C@](C)(C(=O)[O-])C2CC2)cc1 ZINC000736299383 600615351 /nfs/dbraw/zinc/61/53/51/600615351.db2.gz ITGSUUOWEMQTCN-FQEVSTJZSA-N -1 0 347.455 3.513 20 0 EHADRM Cc1cc2occ(CC(=O)N[C@](C)(C(=O)[O-])C3CC3)c2cc1C(C)C ZINC000236701298 600618545 /nfs/dbraw/zinc/61/85/45/600618545.db2.gz LHQVATJIIMQZPR-FQEVSTJZSA-N -1 0 343.423 3.777 20 0 EHADRM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000738095466 600619957 /nfs/dbraw/zinc/61/99/57/600619957.db2.gz IEHZMNLJXZOMON-HOTGVXAUSA-N -1 0 345.782 3.789 20 0 EHADRM CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000736928924 600623893 /nfs/dbraw/zinc/62/38/93/600623893.db2.gz HLRJGSUAOQPSDW-MRXNPFEDSA-N -1 0 327.384 3.785 20 0 EHADRM CC1CCN(c2cccc(NC(=O)NCCCCCC(=O)[O-])c2)CC1 ZINC000417750378 600627432 /nfs/dbraw/zinc/62/74/32/600627432.db2.gz NGOUKVHRSSOULB-UHFFFAOYSA-N -1 0 347.459 3.689 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2c[nH]c(-c3ccccc3)n2)ccc1F ZINC000740009121 600640387 /nfs/dbraw/zinc/64/03/87/600640387.db2.gz ZBKNRDMSOHHXRB-UHFFFAOYSA-N -1 0 340.314 3.558 20 0 EHADRM CCN(C(=O)COc1ccc(Cl)cc1C)c1ccccc1C(=O)[O-] ZINC000737059999 600647020 /nfs/dbraw/zinc/64/70/20/600647020.db2.gz DZFZHPMEEKZYQT-UHFFFAOYSA-N -1 0 347.798 3.779 20 0 EHADRM CCN(C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccccc1C(=O)[O-] ZINC000737052641 600647259 /nfs/dbraw/zinc/64/72/59/600647259.db2.gz MSMVYIJELDJHPD-KBPBESRZSA-N -1 0 345.345 3.820 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N(Cc2ccco2)Cc2ccccc2)C1 ZINC000183964063 600653718 /nfs/dbraw/zinc/65/37/18/600653718.db2.gz HJALWASFWVTBKB-SJORKVTESA-N -1 0 341.407 3.699 20 0 EHADRM C[C@H](c1cc2ccccc2o1)N(C)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000179953926 600653840 /nfs/dbraw/zinc/65/38/40/600653840.db2.gz MFAZBMZQJJFTCS-SNPRPXQTSA-N -1 0 329.396 3.843 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccccc1OCC1CC1)c1ccccc1F ZINC000833351226 600656197 /nfs/dbraw/zinc/65/61/97/600656197.db2.gz JUKFEGGWMDPYRI-KRWDZBQOSA-N -1 0 344.338 3.597 20 0 EHADRM C[C@H](CC(=O)O[C@H](C(=O)[O-])c1ccccc1F)c1ccccc1F ZINC000827391601 600656809 /nfs/dbraw/zinc/65/68/09/600656809.db2.gz GUPQXBBIKSDPDI-DIFFPNOSSA-N -1 0 334.318 3.828 20 0 EHADRM CSc1ccc(O[C@@H](C)C(=O)Nc2ccsc2C(=O)[O-])cc1 ZINC000738211025 600660221 /nfs/dbraw/zinc/66/02/21/600660221.db2.gz FNPJSQCDEJWFEM-VIFPVBQESA-N -1 0 337.422 3.574 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)C)cc2)c(C(=O)[O-])[nH]1 ZINC000738421209 600662550 /nfs/dbraw/zinc/66/25/50/600662550.db2.gz DYLFZMVOWXPICV-HUUCEWRRSA-N -1 0 326.396 3.887 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)C1 ZINC000245698960 600664062 /nfs/dbraw/zinc/66/40/62/600664062.db2.gz LKLZKVFCUHQWNY-GPMSIDNRSA-N -1 0 341.451 3.946 20 0 EHADRM C/C(=C/C(=O)O[C@H](C(=O)[O-])c1ccccc1F)c1cccc(F)c1 ZINC000825723812 600666597 /nfs/dbraw/zinc/66/65/97/600666597.db2.gz BCNWAEZXABAJJM-CCCPALQASA-N -1 0 332.302 3.737 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@H]2CCCC[C@H]2Cc2ccccc2)C1 ZINC000498641550 600666773 /nfs/dbraw/zinc/66/67/73/600666773.db2.gz DBZNABWWBSOHKL-OKYOBFRVSA-N -1 0 343.467 3.795 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000417747880 600668922 /nfs/dbraw/zinc/66/89/22/600668922.db2.gz JILUJHKSAHRJKU-UHFFFAOYSA-N -1 0 343.383 3.640 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)o2)cc1 ZINC000737252955 600671666 /nfs/dbraw/zinc/67/16/66/600671666.db2.gz YWLBMJLJJUUNKZ-INIZCTEOSA-N -1 0 329.396 3.738 20 0 EHADRM O=C([O-])[C@@H](OC(=O)C[C@@H]1CCc2ccccc21)c1ccccc1F ZINC000833097156 600677904 /nfs/dbraw/zinc/67/79/04/600677904.db2.gz HKASFARPAOOHMA-UGSOOPFHSA-N -1 0 328.339 3.615 20 0 EHADRM O=C([O-])[C@H](OC(=O)CCc1cc(Cl)cs1)c1ccccc1F ZINC000833101570 600680031 /nfs/dbraw/zinc/68/00/31/600680031.db2.gz WLAMNDQCYWHTAC-CQSZACIVSA-N -1 0 342.775 3.842 20 0 EHADRM CCCc1ccc(N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)cc1 ZINC000829567067 600690855 /nfs/dbraw/zinc/69/08/55/600690855.db2.gz XNIUFARCVCPSBT-HNNXBMFYSA-N -1 0 344.436 3.616 20 0 EHADRM CC(C)c1ccc(N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)cc1 ZINC000827125203 600691011 /nfs/dbraw/zinc/69/10/11/600691011.db2.gz ZECRKLZTZIEJBV-HNNXBMFYSA-N -1 0 344.436 3.787 20 0 EHADRM C[C@@]1(c2nc(-c3cccc(C(=O)[O-])c3)no2)CCc2ccccc2C1 ZINC000828128048 600693787 /nfs/dbraw/zinc/69/37/87/600693787.db2.gz MGFOMQQEMSEPFS-HXUWFJFHSA-N -1 0 334.375 3.881 20 0 EHADRM O=C([O-])c1cccc(-c2noc([C@H]3C[C@]34CCOc3ccccc34)n2)c1 ZINC000833328097 600694700 /nfs/dbraw/zinc/69/47/00/600694700.db2.gz VHVKEMSCQDJCSM-QRWLVFNGSA-N -1 0 348.358 3.643 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000827592263 600695343 /nfs/dbraw/zinc/69/53/43/600695343.db2.gz IRYLWDOXKZQMLY-NSHDSACASA-N -1 0 326.327 3.920 20 0 EHADRM O=C([O-])c1cccc(-c2noc([C@@H]3C[C@@]34CCc3ccccc34)n2)c1 ZINC000833327873 600697132 /nfs/dbraw/zinc/69/71/32/600697132.db2.gz JUXVRBKFUVQVTN-OXJNMPFZSA-N -1 0 332.359 3.806 20 0 EHADRM C[C@@H](C(=O)OCCOc1cccc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC000826065172 600701371 /nfs/dbraw/zinc/70/13/71/600701371.db2.gz WBGQSPRUTCTEFS-GFCCVEGCSA-N -1 0 348.782 3.764 20 0 EHADRM CCC(CC)[C@@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000263050276 600715053 /nfs/dbraw/zinc/71/50/53/600715053.db2.gz RASOVWMEKPYMNJ-DLBZAZTESA-N -1 0 332.444 3.670 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC000827428043 600721474 /nfs/dbraw/zinc/72/14/74/600721474.db2.gz QLSDMHLMYVGFPH-DYVFJYSZSA-N -1 0 330.355 3.764 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC000827427739 600721610 /nfs/dbraw/zinc/72/16/10/600721610.db2.gz MJJAGHOBCDDZNO-CYBMUJFWSA-N -1 0 330.355 3.836 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)[C@H](C)CCc1cccc(F)c1 ZINC000833025186 600722555 /nfs/dbraw/zinc/72/25/55/600722555.db2.gz GOMSXQPPEINQAX-LLVKDONJSA-N -1 0 334.343 3.737 20 0 EHADRM Cc1cc(COC(=O)[C@]2(C)CCc3ccccc3C2)oc1C(=O)[O-] ZINC000832886618 600734692 /nfs/dbraw/zinc/73/46/92/600734692.db2.gz VVWBHRZFZOROSE-LJQANCHMSA-N -1 0 328.364 3.525 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@H]1C[C@@]12CCCc1ccccc12)c1ccccc1 ZINC000833170578 600737852 /nfs/dbraw/zinc/73/78/52/600737852.db2.gz QPTLWIMZJZJIJZ-DBXWQHBBSA-N -1 0 336.387 3.650 20 0 EHADRM CCc1ccccc1CNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000391381557 600747456 /nfs/dbraw/zinc/74/74/56/600747456.db2.gz XLYBLDRCUGUQLG-UHFFFAOYSA-N -1 0 332.787 3.922 20 0 EHADRM Cc1nc(C(=O)Oc2cc3ccccc3cc2C(=O)[O-])c2ccccn12 ZINC000738842054 600767318 /nfs/dbraw/zinc/76/73/18/600767318.db2.gz ZRQDXWMZCBLLSK-UHFFFAOYSA-N -1 0 346.342 3.713 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)ccc1Cl ZINC000685019932 600784411 /nfs/dbraw/zinc/78/44/11/600784411.db2.gz IEUTVBOKSQZOFV-HNAYVOBHSA-N -1 0 341.794 3.881 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000776676880 600800893 /nfs/dbraw/zinc/80/08/93/600800893.db2.gz IZGYHEPXFNGYMF-AWEZNQCLSA-N -1 0 338.190 3.939 20 0 EHADRM O=C([O-])c1ccc(OC(=O)c2cc(Oc3ccccc3)ccn2)cc1 ZINC000833322148 600801901 /nfs/dbraw/zinc/80/19/01/600801901.db2.gz XNNUVUZUBNSJIF-UHFFFAOYSA-N -1 0 335.315 3.791 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)c1cc(Oc2ccccc2)ccn1 ZINC000833269540 600802004 /nfs/dbraw/zinc/80/20/04/600802004.db2.gz RCAXIAQDNMIBAR-UHFFFAOYSA-N -1 0 349.342 3.720 20 0 EHADRM O=C([O-])c1ccc(Cl)cc1OCc1ccn(-c2ccc(F)cc2)n1 ZINC000833317536 600802190 /nfs/dbraw/zinc/80/21/90/600802190.db2.gz UOAGXYVDXMHRBM-UHFFFAOYSA-N -1 0 346.745 3.942 20 0 EHADRM CC(C)CCSCC(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000776673197 600806651 /nfs/dbraw/zinc/80/66/51/600806651.db2.gz MXTWJDSDWWLNAM-CQSZACIVSA-N -1 0 343.876 3.751 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cc(F)ccc1F)c1cccc(Cl)c1 ZINC000776671896 600807549 /nfs/dbraw/zinc/80/75/49/600807549.db2.gz DQLXWJNHBXTYBP-CQSZACIVSA-N -1 0 339.725 3.564 20 0 EHADRM Cc1cccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)c1C ZINC000776671757 600807567 /nfs/dbraw/zinc/80/75/67/600807567.db2.gz DEUBIAXPBFPKNP-MRXNPFEDSA-N -1 0 331.799 3.903 20 0 EHADRM C[C@H](CC(=O)[O-])Sc1cc(C(F)(F)F)nc(-c2ccncc2)n1 ZINC000827385077 600814913 /nfs/dbraw/zinc/81/49/13/600814913.db2.gz FQZXZJZWTARIFI-MRVPVSSYSA-N -1 0 343.330 3.513 20 0 EHADRM C[C@@H](CCOc1ccccc1)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000827417547 600818054 /nfs/dbraw/zinc/81/80/54/600818054.db2.gz MGUVBIMHGHRDHA-LBPRGKRZSA-N -1 0 331.343 3.568 20 0 EHADRM Cc1cc(NC(=S)N[C@@H]2CCOc3ccccc32)ccc1C(=O)[O-] ZINC000738452377 600819297 /nfs/dbraw/zinc/81/92/97/600819297.db2.gz MZOBHFAOGKDKOD-OAHLLOKOSA-N -1 0 342.420 3.503 20 0 EHADRM COc1cc(NC(=O)C2CCCCCCC2)c(C(=O)[O-])cc1OC ZINC000392524974 600823119 /nfs/dbraw/zinc/82/31/19/600823119.db2.gz KQDLVKICXPTZHH-UHFFFAOYSA-N -1 0 335.400 3.701 20 0 EHADRM Cc1cccc2c(CCC(=O)Oc3ccc(CC(=O)[O-])cc3)c[nH]c21 ZINC000738748349 600824888 /nfs/dbraw/zinc/82/48/88/600824888.db2.gz UBZAZJUTWUKLIF-UHFFFAOYSA-N -1 0 337.375 3.642 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2ccc(OC(F)F)cc2)s1 ZINC000833319852 600826515 /nfs/dbraw/zinc/82/65/15/600826515.db2.gz IQZCLNCYDCLEQG-UHFFFAOYSA-N -1 0 344.364 3.857 20 0 EHADRM C[C@@H](CC(=O)N1CCCC[C@H]1C(=O)[O-])c1ccccc1C(F)(F)F ZINC000136514328 600829214 /nfs/dbraw/zinc/82/92/14/600829214.db2.gz SCFKWBMDFVNYDG-FZMZJTMJSA-N -1 0 343.345 3.665 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)ccc1F ZINC000740080118 600830152 /nfs/dbraw/zinc/83/01/52/600830152.db2.gz CJKZLYVUITVNCT-CMPLNLGQSA-N -1 0 335.281 3.544 20 0 EHADRM CCO[C@@H]1CCCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC000652394877 600831940 /nfs/dbraw/zinc/83/19/40/600831940.db2.gz LSGOHIJHFVVEJS-MRXNPFEDSA-N -1 0 346.452 3.509 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CN1C[C@@H](c2ccccc2C)OC[C@@H]1C ZINC000566363133 600832909 /nfs/dbraw/zinc/83/29/09/600832909.db2.gz GBLYGSCMMYGPTP-UGSOOPFHSA-N -1 0 329.396 3.557 20 0 EHADRM Cc1cc(CN2C[C@H](c3ccccc3C)OC[C@@H]2C)oc1C(=O)[O-] ZINC000578899610 600833440 /nfs/dbraw/zinc/83/34/40/600833440.db2.gz BYVFDFMKXQMCJQ-WMLDXEAASA-N -1 0 329.396 3.557 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N1CCN(Cc2ccoc2C(=O)[O-])CC1 ZINC000827934469 600838090 /nfs/dbraw/zinc/83/80/90/600838090.db2.gz GLMHEZYIAQTLAH-CYBMUJFWSA-N -1 0 348.830 3.510 20 0 EHADRM CCn1c(C)nnc1S[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000830411118 600838804 /nfs/dbraw/zinc/83/88/04/600838804.db2.gz BOHVCYXWILKTCU-NSHDSACASA-N -1 0 346.239 3.831 20 0 EHADRM CC(C)C[C@@H]1CCN(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C1 ZINC000826841089 600842765 /nfs/dbraw/zinc/84/27/65/600842765.db2.gz UYAVEIBHKVVHTB-HNNXBMFYSA-N -1 0 333.432 3.696 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)/C=C/c2ccc(Cl)cc2)c2ccccc21 ZINC000325332668 600847385 /nfs/dbraw/zinc/84/73/85/600847385.db2.gz ZZZGOEKWHQUBAQ-DNGMOHDESA-N -1 0 341.794 3.958 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1SCCc2ccccc21 ZINC000120222441 600847649 /nfs/dbraw/zinc/84/76/49/600847649.db2.gz XNGTZDUJIQHVPX-INIZCTEOSA-N -1 0 327.405 3.662 20 0 EHADRM Cc1cccc2c(CC(=O)N3C[C@H](CC(=O)[O-])c4ccccc43)c[nH]c21 ZINC000738747114 600850748 /nfs/dbraw/zinc/85/07/48/600850748.db2.gz BDTIIBQBPCVEMC-HNNXBMFYSA-N -1 0 348.402 3.624 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)C[C@H]2CCc3ccccc32)c2ccccc21 ZINC000739642141 600851228 /nfs/dbraw/zinc/85/12/28/600851228.db2.gz NLJIWEXCOZYHLD-HZPDHXFCSA-N -1 0 335.403 3.712 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)/C=C(\C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000828710459 600857474 /nfs/dbraw/zinc/85/74/74/600857474.db2.gz YDNBBPVBQNAACL-SFZLUGTCSA-N -1 0 343.345 3.724 20 0 EHADRM Cc1ccc2c(CC(=O)N3C[C@@H](CC(=O)[O-])c4ccccc43)coc2c1 ZINC000738667563 600858340 /nfs/dbraw/zinc/85/83/40/600858340.db2.gz MUVRDWJXEWSOSG-CQSZACIVSA-N -1 0 349.386 3.889 20 0 EHADRM Cc1ccc2c(CC(=O)N3C[C@H](CC(=O)[O-])c4ccccc43)coc2c1 ZINC000738667562 600858583 /nfs/dbraw/zinc/85/85/83/600858583.db2.gz MUVRDWJXEWSOSG-AWEZNQCLSA-N -1 0 349.386 3.889 20 0 EHADRM Cc1ccc2oc(C(=O)N3C[C@@H](CC(=O)[O-])c4ccccc43)cc2c1 ZINC000327157521 600858738 /nfs/dbraw/zinc/85/87/38/600858738.db2.gz PFJDWPBUXIBHLL-CQSZACIVSA-N -1 0 335.359 3.960 20 0 EHADRM CC(C)C[C@H](NC(=O)CCCN(C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000736411143 600864554 /nfs/dbraw/zinc/86/45/54/600864554.db2.gz FMKNDWAWRHYUER-HNNXBMFYSA-N -1 0 340.851 3.933 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(CC(F)(F)F)cc2)s1 ZINC000238056162 600865767 /nfs/dbraw/zinc/86/57/67/600865767.db2.gz YSUJDDUJWUBDJS-UHFFFAOYSA-N -1 0 329.299 3.803 20 0 EHADRM CCC(CC)C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000736893244 600868274 /nfs/dbraw/zinc/86/82/74/600868274.db2.gz HFWOMFRXCSBXMY-UHFFFAOYSA-N -1 0 332.169 3.661 20 0 EHADRM Cc1cc2cc(C(=O)N[C@@H](C(=O)[O-])c3cccs3)oc2cc1C ZINC000832906064 600869928 /nfs/dbraw/zinc/86/99/28/600869928.db2.gz QMUFLLKIODOQOP-OAHLLOKOSA-N -1 0 329.377 3.667 20 0 EHADRM O=C([O-])[C@H](NC(=O)C1CCC(c2ccccc2)CC1)c1ccccc1 ZINC000238008549 600871249 /nfs/dbraw/zinc/87/12/49/600871249.db2.gz RKDFJVGLGXBAJZ-NKELODKYSA-N -1 0 337.419 3.903 20 0 EHADRM COc1ccc2ccc(OC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)cc2c1 ZINC000832504185 600873388 /nfs/dbraw/zinc/87/33/88/600873388.db2.gz FYKSHOZYOSPXTF-ZIAGYGMSSA-N -1 0 328.364 3.645 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000261908406 600876591 /nfs/dbraw/zinc/87/65/91/600876591.db2.gz GCUBMGJGMGXUFR-RBOXIYTFSA-N -1 0 337.391 3.836 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cc3c(s2)CCC3)cc1 ZINC000261687456 600878646 /nfs/dbraw/zinc/87/86/46/600878646.db2.gz ITYCLNDUFYHQMS-UHFFFAOYSA-N -1 0 329.421 3.851 20 0 EHADRM COc1ccc(C)cc1CC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000262200098 600878822 /nfs/dbraw/zinc/87/88/22/600878822.db2.gz KHNSMPPYSGREGW-UHFFFAOYSA-N -1 0 341.407 3.547 20 0 EHADRM COc1ccccc1CCC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000262149953 600882670 /nfs/dbraw/zinc/88/26/70/600882670.db2.gz FXBPOZBWXSTREO-UHFFFAOYSA-N -1 0 341.407 3.629 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1cccnc1 ZINC000736548376 600883560 /nfs/dbraw/zinc/88/35/60/600883560.db2.gz LLJNFQIOTRKDDK-ZDUSSCGKSA-N -1 0 326.396 3.576 20 0 EHADRM CCCOc1ccc([C@H](C)NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000829528324 600885364 /nfs/dbraw/zinc/88/53/64/600885364.db2.gz VAFRLHRQOUHMPO-CWRNSKLLSA-N -1 0 333.428 3.544 20 0 EHADRM Cc1cc(S(=O)(=O)Nc2cccc3ccccc32)ccc1C(=O)[O-] ZINC000326464789 600885406 /nfs/dbraw/zinc/88/54/06/600885406.db2.gz ZFDWAHXOYVGKBT-UHFFFAOYSA-N -1 0 341.388 3.647 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N(Cc2ccc(Cl)cc2)C2CC2)C1 ZINC000179958803 600885530 /nfs/dbraw/zinc/88/55/30/600885530.db2.gz RWZDZOAOBCUMFP-KGLIPLIRSA-N -1 0 335.831 3.722 20 0 EHADRM Cc1nc(C2CCCC2)sc1C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000262421463 600895239 /nfs/dbraw/zinc/89/52/39/600895239.db2.gz CTHFAEMKMLQABJ-CYBMUJFWSA-N -1 0 338.473 3.586 20 0 EHADRM O=C([O-])c1ccc(NC(=O)/C=C/c2ccc(OC(F)F)cc2)s1 ZINC000833095025 600900911 /nfs/dbraw/zinc/90/09/11/600900911.db2.gz OKSHIXQCDIYTKB-XVNBXDOJSA-N -1 0 339.319 3.700 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2csc(-c3ccccc3)n2)s1 ZINC000833156659 600904497 /nfs/dbraw/zinc/90/44/97/600904497.db2.gz CGFQSSIMCRZSAQ-UHFFFAOYSA-N -1 0 330.390 3.822 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000832777390 600911198 /nfs/dbraw/zinc/91/11/98/600911198.db2.gz KNCVEXFGQCPWBV-NXEZZACHSA-N -1 0 327.833 3.891 20 0 EHADRM Cc1[nH]c2c(cc(C)cc2CNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1C ZINC000262578041 600911594 /nfs/dbraw/zinc/91/15/94/600911594.db2.gz PDWCGZAHNVLNCT-LSDHHAIUSA-N -1 0 342.439 3.600 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000738552437 600916722 /nfs/dbraw/zinc/91/67/22/600916722.db2.gz RYXHROLKMOOKGC-JKSUJKDBSA-N -1 0 349.471 3.749 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CC3(CCCC3)c3c2cccc3F)C1 ZINC000498624581 600919117 /nfs/dbraw/zinc/91/91/17/600919117.db2.gz AGBGZZPTDLQMTM-KGLIPLIRSA-N -1 0 345.414 3.875 20 0 EHADRM CC(C)C[C@@H](CNC(=O)c1cc(F)c(Cl)cc1Cl)C(=O)[O-] ZINC000094701975 600922994 /nfs/dbraw/zinc/92/29/94/600922994.db2.gz CKRGMTMLIIZRLF-QMMMGPOBSA-N -1 0 336.190 3.609 20 0 EHADRM CCC(CC)(NC(=O)c1ccc(C)c(Oc2ccncc2)c1)C(=O)[O-] ZINC000828842000 600923308 /nfs/dbraw/zinc/92/33/08/600923308.db2.gz LAGWGYBHMWXXHX-UHFFFAOYSA-N -1 0 342.395 3.556 20 0 EHADRM CCC(CC)(NC(=O)c1ccc(C2SCCS2)cc1)C(=O)[O-] ZINC000808520485 600923703 /nfs/dbraw/zinc/92/37/03/600923703.db2.gz RQJRNZBGDUKSPU-UHFFFAOYSA-N -1 0 339.482 3.538 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N(Cc2ccco2)c2ccccc2)C1 ZINC000833183963 600929480 /nfs/dbraw/zinc/92/94/80/600929480.db2.gz BGSAHTWSTAJPRN-HUUCEWRRSA-N -1 0 327.380 3.704 20 0 EHADRM CO[C@H](CNC(=O)c1ccccc1NC(=O)[O-])c1cccc(Cl)c1 ZINC000831518625 600933544 /nfs/dbraw/zinc/93/35/44/600933544.db2.gz BLPZJZBTZOVCSN-OAHLLOKOSA-N -1 0 348.786 3.547 20 0 EHADRM C[C@H]1CC[C@H](CCC(=O)Oc2c(C(=O)[O-])ccc3ccccc32)O1 ZINC000828225485 600938587 /nfs/dbraw/zinc/93/85/87/600938587.db2.gz AYHOQYXFWNJROX-GXTWGEPZSA-N -1 0 328.364 3.791 20 0 EHADRM C[C@H]1CC[C@H](CCC(=O)Oc2cc3ccccc3cc2C(=O)[O-])O1 ZINC000828225542 600939858 /nfs/dbraw/zinc/93/98/58/600939858.db2.gz CXRHYTDVFPFBDD-SWLSCSKDSA-N -1 0 328.364 3.791 20 0 EHADRM Cc1ccc(-c2csc(NC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)n2)cc1 ZINC000832907078 600941851 /nfs/dbraw/zinc/94/18/51/600941851.db2.gz LTKZJFAKCSUILJ-KGLIPLIRSA-N -1 0 344.436 3.948 20 0 EHADRM Cc1oc(COC(=O)[C@@H]2C[C@]23CCCc2ccccc23)cc1C(=O)[O-] ZINC000833027258 600942426 /nfs/dbraw/zinc/94/24/26/600942426.db2.gz QTIRCYLSSCKBSQ-PXNSSMCTSA-N -1 0 340.375 3.624 20 0 EHADRM O=C([O-])c1cccc(COC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)c1 ZINC000833329066 600945074 /nfs/dbraw/zinc/94/50/74/600945074.db2.gz VHRSUNXZWAQRLS-KGLIPLIRSA-N -1 0 332.302 3.510 20 0 EHADRM Cc1[nH]c(C(=O)OCc2cc(C)nc3ccccc23)c(C)c1C(=O)[O-] ZINC000832885183 600947257 /nfs/dbraw/zinc/94/72/57/600947257.db2.gz LLXRCQGSLOKZFZ-UHFFFAOYSA-N -1 0 338.363 3.543 20 0 EHADRM CC(C)C[C@@H](OC(=O)[C@H](C)Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000826813409 600949021 /nfs/dbraw/zinc/94/90/21/600949021.db2.gz OLKNRXUQZGKBPH-GXFFZTMASA-N -1 0 330.833 3.863 20 0 EHADRM Cc1cccc(-c2nc(CC(=O)O[C@@H](CC(C)C)C(=O)[O-])cs2)c1 ZINC000832960035 600949900 /nfs/dbraw/zinc/94/99/00/600949900.db2.gz FDRRNFPQOSTAAS-HNNXBMFYSA-N -1 0 347.436 3.704 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2cccc(C(=O)[O-])c2)o1 ZINC000237531311 600962218 /nfs/dbraw/zinc/96/22/18/600962218.db2.gz XNAQXOJZRWATHU-WBMJQRKESA-N -1 0 327.380 3.900 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@H](c1ccccc1)C(C)C ZINC000831913440 600964922 /nfs/dbraw/zinc/96/49/22/600964922.db2.gz PTVDHFKPLUOOLQ-KRWDZBQOSA-N -1 0 328.364 3.739 20 0 EHADRM CC(C)Nc1cc(F)ccc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000826983976 600966794 /nfs/dbraw/zinc/96/67/94/600966794.db2.gz KUEJLWNAZMLHBJ-UHFFFAOYSA-N -1 0 344.386 3.916 20 0 EHADRM O=C([O-])CCc1nc(CSCCc2ccc3ccccc3c2)no1 ZINC000833241371 600969071 /nfs/dbraw/zinc/96/90/71/600969071.db2.gz JBMMBYJAGBTMFU-UHFFFAOYSA-N -1 0 342.420 3.716 20 0 EHADRM O=C([O-])c1cccc(-c2nc(CSCc3ccno3)cs2)c1 ZINC000833326135 600969567 /nfs/dbraw/zinc/96/95/67/600969567.db2.gz GIKXSHJMTXGRHR-UHFFFAOYSA-N -1 0 332.406 3.930 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)[C@@H]1SCCc2sccc21 ZINC000833298700 600971177 /nfs/dbraw/zinc/97/11/77/600971177.db2.gz BPYWLWLELIITOX-CYBMUJFWSA-N -1 0 337.397 3.555 20 0 EHADRM Cc1cc2c(cc1C)O[C@@H](C(=O)Oc1ccc(Cl)cc1C(=O)[O-])C2 ZINC000832905837 600972025 /nfs/dbraw/zinc/97/20/25/600972025.db2.gz LRDINAUAXLUTGL-MRXNPFEDSA-N -1 0 346.766 3.564 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000827427133 600972547 /nfs/dbraw/zinc/97/25/47/600972547.db2.gz BXIICSHZDUBEEM-LLVKDONJSA-N -1 0 333.334 3.870 20 0 EHADRM CCC(CC)(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000828820152 600976785 /nfs/dbraw/zinc/97/67/85/600976785.db2.gz CJOGNRWFESEIDK-UHFFFAOYSA-N -1 0 325.408 3.578 20 0 EHADRM CCCSCC(=O)Nc1c(C)c(Br)ccc1C(=O)[O-] ZINC000829549896 600978086 /nfs/dbraw/zinc/97/80/86/600978086.db2.gz LBKDFKIRRVPGTI-UHFFFAOYSA-N -1 0 346.246 3.537 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1ccc(-c2ccncc2)cc1 ZINC000191626173 600980969 /nfs/dbraw/zinc/98/09/69/600980969.db2.gz RTCCEMMQOCHLFP-AWEZNQCLSA-N -1 0 346.386 3.938 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000094702897 600994073 /nfs/dbraw/zinc/99/40/73/600994073.db2.gz IUIPMJFCXNGVAA-SECBINFHSA-N -1 0 333.215 3.862 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000832947562 600995208 /nfs/dbraw/zinc/99/52/08/600995208.db2.gz RXIBBJMWIUNWHS-HNNXBMFYSA-N -1 0 332.787 3.986 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000262652431 601002446 /nfs/dbraw/zinc/00/24/46/601002446.db2.gz SCVKHLABJDNUQK-LJQANCHMSA-N -1 0 339.435 3.726 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1)Sc1ccccc1 ZINC000827485918 601006099 /nfs/dbraw/zinc/00/60/99/601006099.db2.gz CNVLSAQKEKIMSV-LBPRGKRZSA-N -1 0 330.409 3.687 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)c2cc3cccc(F)c3o2)cc1 ZINC000739739999 601006795 /nfs/dbraw/zinc/00/67/95/601006795.db2.gz RUXHMGJWOJVPMC-UHFFFAOYSA-N -1 0 343.310 3.678 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1cccc(C(=O)[O-])c1)c1nc(C)cs1 ZINC000828686122 601008561 /nfs/dbraw/zinc/00/85/61/601008561.db2.gz VAHPXHROLNDZJA-MRXNPFEDSA-N -1 0 333.413 3.597 20 0 EHADRM C[C@H](C(=O)Nc1cccc(CSCC(=O)[O-])c1)c1cccc(F)c1 ZINC000237458534 601009292 /nfs/dbraw/zinc/00/92/92/601009292.db2.gz FNABKGQNRJKKMM-LBPRGKRZSA-N -1 0 347.411 3.886 20 0 EHADRM C[C@@H](CNC(=O)Nc1cc(C(=O)[O-])ccc1F)Sc1ccccc1 ZINC000827476622 601010136 /nfs/dbraw/zinc/01/01/36/601010136.db2.gz CLQXZYXCXIXXCN-NSHDSACASA-N -1 0 348.399 3.826 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1CCSc3ccccc31)C2 ZINC000740189846 601010235 /nfs/dbraw/zinc/01/02/35/601010235.db2.gz ZXRVDAAEPQBWJH-MRXNPFEDSA-N -1 0 339.416 3.507 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000236746457 601011031 /nfs/dbraw/zinc/01/10/31/601011031.db2.gz WGWBUAPUHYSBKW-UONOGXRCSA-N -1 0 344.238 3.809 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)N2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000833319557 601011947 /nfs/dbraw/zinc/01/19/47/601011947.db2.gz NPNWGWXUYFVRQS-AWEZNQCLSA-N -1 0 342.370 3.620 20 0 EHADRM C[C@H](COCc1ccccc1)NC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000827517398 601023089 /nfs/dbraw/zinc/02/30/89/601023089.db2.gz MKRYFYKVPNPYHG-CYBMUJFWSA-N -1 0 343.383 3.503 20 0 EHADRM CCO[C@H]1C[C@H](NC(=O)Nc2cccc(NC(=O)[O-])c2)C12CCCC2 ZINC000829926353 601023228 /nfs/dbraw/zinc/02/32/28/601023228.db2.gz WRGXSGVKWJZBLV-GJZGRUSLSA-N -1 0 347.415 3.636 20 0 EHADRM O=C([O-])CCN(C(=O)[C@@H]1C[C@@H]1C1CCCCC1)c1cccc(F)c1 ZINC000739711230 601027990 /nfs/dbraw/zinc/02/79/90/601027990.db2.gz IPUJPWNFOQTCLQ-IAGOWNOFSA-N -1 0 333.403 3.850 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)N[C@@H]2C[C@@]2(C)c2ccccc2)cc1 ZINC000830514196 601030381 /nfs/dbraw/zinc/03/03/81/601030381.db2.gz OTKDIJPWSOSMIX-APWZRJJASA-N -1 0 339.395 3.653 20 0 EHADRM C[C@@H](CC(=O)N(c1ncc(C(=O)[O-])s1)C1CC1)c1cccc(F)c1 ZINC000736545467 601036008 /nfs/dbraw/zinc/03/60/08/601036008.db2.gz PAINNBBEBSGQGJ-JTQLQIEISA-N -1 0 348.399 3.670 20 0 EHADRM O=C([O-])c1cnc(N(C(=O)/C=C\Sc2ccccc2)C2CC2)s1 ZINC000740253917 601040595 /nfs/dbraw/zinc/04/05/95/601040595.db2.gz MPOJDOYAXWCFOL-HJWRWDBZSA-N -1 0 346.433 3.643 20 0 EHADRM C[C@H](CC(=O)N(c1ncc(C(=O)[O-])s1)C1CC1)c1ccccc1 ZINC000736545066 601041329 /nfs/dbraw/zinc/04/13/29/601041329.db2.gz OKOGHPMXNRJNLA-LLVKDONJSA-N -1 0 330.409 3.531 20 0 EHADRM Cc1cc(C)cc(C[C@H](C)NC(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000738363127 601043659 /nfs/dbraw/zinc/04/36/59/601043659.db2.gz CYCBYLJPUMFLKB-AWEZNQCLSA-N -1 0 326.396 3.754 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC000736521157 601047905 /nfs/dbraw/zinc/04/79/05/601047905.db2.gz KXHPGMZNXSXLKZ-UHFFFAOYSA-N -1 0 347.436 3.628 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)cc1 ZINC000833239199 601047983 /nfs/dbraw/zinc/04/79/83/601047983.db2.gz ZFXQFUOADOBRCV-HLLBOEOZSA-N -1 0 330.428 3.794 20 0 EHADRM C[C@@H](C1CC1)N(C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)C1CC1 ZINC000827212129 601051100 /nfs/dbraw/zinc/05/11/00/601051100.db2.gz BEDYKINFPRFFKW-LBPRGKRZSA-N -1 0 331.416 3.591 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@H]2CCSc3ccccc32)cc1C(=O)[O-] ZINC000738966662 601052803 /nfs/dbraw/zinc/05/28/03/601052803.db2.gz BFNOJWSKVLZTMN-AWEZNQCLSA-N -1 0 345.420 3.524 20 0 EHADRM Cc1ccc(OCCCC(=O)Oc2ccc(CC(=O)[O-])cc2)cc1C ZINC000832951990 601055810 /nfs/dbraw/zinc/05/58/10/601055810.db2.gz ADUMNIOOJSFVPO-UHFFFAOYSA-N -1 0 342.391 3.695 20 0 EHADRM CC(C)Oc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000827048389 601056982 /nfs/dbraw/zinc/05/69/82/601056982.db2.gz OJSNWNLBOCKMNB-MRXNPFEDSA-N -1 0 332.327 3.596 20 0 EHADRM Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000237728257 601063371 /nfs/dbraw/zinc/06/33/71/601063371.db2.gz QAETWDRORPVAIZ-UHFFFAOYSA-N -1 0 342.376 3.970 20 0 EHADRM Cc1ccc(NC(=O)Cc2cc(-c3ccccc3)on2)cc1C(=O)[O-] ZINC000237686301 601063953 /nfs/dbraw/zinc/06/39/53/601063953.db2.gz WEYPJQRXFKJPMD-UHFFFAOYSA-N -1 0 336.347 3.529 20 0 EHADRM CC/C(=C/C(=O)N(C[C@H](C)C(=O)[O-])C1CC1)c1cccc(Cl)c1 ZINC000828549592 601065537 /nfs/dbraw/zinc/06/55/37/601065537.db2.gz MTZKDAQMFAYWHH-IXJPEXDMSA-N -1 0 335.831 3.845 20 0 EHADRM CC/C(=C\C(=O)N(C[C@H](C)C(=O)[O-])C1CC1)c1cccc(Cl)c1 ZINC000828549588 601065601 /nfs/dbraw/zinc/06/56/01/601065601.db2.gz MTZKDAQMFAYWHH-CVCOIXHCSA-N -1 0 335.831 3.845 20 0 EHADRM CC(C)C[C@H](C(=O)NC[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000736402159 601068586 /nfs/dbraw/zinc/06/85/86/601068586.db2.gz ORSDYZQMUQVNBA-RBUKOAKNSA-N -1 0 339.435 3.801 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cc(Cl)ccc1F)c1ccccc1F ZINC000833351557 601070086 /nfs/dbraw/zinc/07/00/86/601070086.db2.gz NLBZPKCMOYVJGJ-CYBMUJFWSA-N -1 0 326.682 3.601 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1cccc(Cl)c1Cl)c1ccccc1 ZINC000315497059 601070318 /nfs/dbraw/zinc/07/03/18/601070318.db2.gz GNKCDSHURNSTHG-LBPRGKRZSA-N -1 0 338.190 3.592 20 0 EHADRM CC1(C(=O)OCCOc2ccc(C(=O)[O-])cc2Cl)CCCC1 ZINC000828041551 601070622 /nfs/dbraw/zinc/07/06/22/601070622.db2.gz CEEXSEUFFSENNJ-UHFFFAOYSA-N -1 0 326.776 3.541 20 0 EHADRM CCCc1cc(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)sc1C ZINC000261648082 601071467 /nfs/dbraw/zinc/07/14/67/601071467.db2.gz DWISDKDFYPFIMB-HNNXBMFYSA-N -1 0 331.437 3.607 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1cc2cc(Cl)ccc2o1)c1ccccc1 ZINC000486289137 601074309 /nfs/dbraw/zinc/07/43/09/601074309.db2.gz BOLMEENBJLXUIG-CQSZACIVSA-N -1 0 343.766 3.684 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000387382440 601074484 /nfs/dbraw/zinc/07/44/84/601074484.db2.gz UXIRMPLHZPRGRM-ZDUSSCGKSA-N -1 0 338.190 3.592 20 0 EHADRM CCc1ccc(NC(=O)Nc2cc(C(=O)[O-])cc(OC)c2OC)cc1 ZINC000830254265 601076938 /nfs/dbraw/zinc/07/69/38/601076938.db2.gz WZVIMLAAINXKOU-UHFFFAOYSA-N -1 0 344.367 3.608 20 0 EHADRM Cc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)n1C ZINC000832917834 601077021 /nfs/dbraw/zinc/07/70/21/601077021.db2.gz AZLBMQZHFGMTGZ-ZDUSSCGKSA-N -1 0 342.178 3.623 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)c2ccc(N3CCCCC3)cc2)cc1 ZINC000833290847 601081910 /nfs/dbraw/zinc/08/19/10/601081910.db2.gz TYGQSSHFEOZEQM-UHFFFAOYSA-N -1 0 340.379 3.986 20 0 EHADRM CSCc1cc(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)ccc1F ZINC000776620854 601083467 /nfs/dbraw/zinc/08/34/67/601083467.db2.gz YKFDHWZYYGLFLU-INIZCTEOSA-N -1 0 347.411 3.587 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1ccc2[nH]ccc2c1 ZINC000833179259 601086855 /nfs/dbraw/zinc/08/68/55/601086855.db2.gz LMLXQFDCGQVBBV-SJLPKXTDSA-N -1 0 340.423 3.664 20 0 EHADRM Cc1csc([C@H](C)NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)n1 ZINC000391726788 601089818 /nfs/dbraw/zinc/08/98/18/601089818.db2.gz SDQGLKXEIARUON-NSHDSACASA-N -1 0 347.440 3.696 20 0 EHADRM CCn1c(C)cc(C(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1C ZINC000830407912 601091154 /nfs/dbraw/zinc/09/11/54/601091154.db2.gz FKRBZHGWYQOWPG-AEFFLSMTSA-N -1 0 346.471 3.620 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NCc2ccc(F)cc2)cc1 ZINC000325336454 601092800 /nfs/dbraw/zinc/09/28/00/601092800.db2.gz CBVLCQJBGJIOQB-UHFFFAOYSA-N -1 0 330.359 3.510 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NC/C=C\c2ccccc2)cc1 ZINC000826122721 601094518 /nfs/dbraw/zinc/09/45/18/601094518.db2.gz LMNVFONPMHGKBG-TWGQIWQCSA-N -1 0 338.407 3.884 20 0 EHADRM CCO[C@@H]1C[C@@H](NC(=O)c2cccc(NC(=O)[O-])c2)C12CCCCC2 ZINC000737164393 601094754 /nfs/dbraw/zinc/09/47/54/601094754.db2.gz DGRCHALDJNRZPH-HZPDHXFCSA-N -1 0 346.427 3.634 20 0 EHADRM O=C([O-])[C@@H](OC(=O)[C@H]1CCCc2ccccc21)c1ccccc1F ZINC000833351338 601098531 /nfs/dbraw/zinc/09/85/31/601098531.db2.gz QACKCKYBQMBBOH-YOEHRIQHSA-N -1 0 328.339 3.615 20 0 EHADRM Cc1csc([C@H]2CCCN(C(=O)Nc3cccc(C(=O)[O-])c3)C2)n1 ZINC000738817077 601100335 /nfs/dbraw/zinc/10/03/35/601100335.db2.gz SJUOJWJULKDDAG-ZDUSSCGKSA-N -1 0 345.424 3.561 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000191036203 601109199 /nfs/dbraw/zinc/10/91/99/601109199.db2.gz LEZQVTXPQWSUHF-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM O=C([O-])c1sccc1NC(=O)c1cc(-c2ccccc2)ns1 ZINC000739489416 601115534 /nfs/dbraw/zinc/11/55/34/601115534.db2.gz SMQCNRJBPNABOY-UHFFFAOYSA-N -1 0 330.390 3.822 20 0 EHADRM C[C@H](c1ccc(C(=O)[O-])o1)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000575323053 601115539 /nfs/dbraw/zinc/11/55/39/601115539.db2.gz CBFFWWVYORDKCK-SSDOTTSWSA-N -1 0 334.319 3.646 20 0 EHADRM CCN(C(=O)C[C@@H](C)c1ccc(F)cc1)c1ncc(C(=O)[O-])s1 ZINC000737053329 601125038 /nfs/dbraw/zinc/12/50/38/601125038.db2.gz RKPNCNYOXNREKB-SNVBAGLBSA-N -1 0 336.388 3.527 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000183961573 601125629 /nfs/dbraw/zinc/12/56/29/601125629.db2.gz SLWUQHYWLWECGG-BDAKNGLRSA-N -1 0 347.745 3.771 20 0 EHADRM Cc1cnc([C@@H](C)NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)s1 ZINC000832985736 601128053 /nfs/dbraw/zinc/12/80/53/601128053.db2.gz LOFCYFWIMOXTGA-MRVPVSSYSA-N -1 0 338.364 3.563 20 0 EHADRM CCS[C@@H]1CCCCN(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)C1 ZINC000830164276 601145952 /nfs/dbraw/zinc/14/59/52/601145952.db2.gz SMCQOPKOBXHYBX-CQSZACIVSA-N -1 0 336.457 3.833 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000832992187 601154374 /nfs/dbraw/zinc/15/43/74/601154374.db2.gz AVBYMUOHSLEERB-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)OCc2cnc(-c3ccccc3)s2)C1 ZINC000833190203 601154526 /nfs/dbraw/zinc/15/45/26/601154526.db2.gz WOAKGHHRZVJRGF-UONOGXRCSA-N -1 0 345.420 3.744 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)[C@@H](C)c1cccc(F)c1)c1ccccc1 ZINC000237666578 601163625 /nfs/dbraw/zinc/16/36/25/601163625.db2.gz LIGCUYLPHVDOAA-OGHNNQOOSA-N -1 0 329.371 3.507 20 0 EHADRM Cc1cccc([C@H](C)C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000237747794 601171784 /nfs/dbraw/zinc/17/17/84/601171784.db2.gz UUTRAULLOORPAA-DAYGRLMNSA-N -1 0 325.408 3.677 20 0 EHADRM Cc1ccccc1CCC(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000237738974 601171961 /nfs/dbraw/zinc/17/19/61/601171961.db2.gz OZHBJFOTGOXVCA-BEFAXECRSA-N -1 0 325.408 3.506 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)OCc2cccc(C(F)(F)F)c2)C1 ZINC000833187791 601178030 /nfs/dbraw/zinc/17/80/30/601178030.db2.gz KMMUEMFJIOOVFD-VXGBXAGGSA-N -1 0 330.302 3.640 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)NCc1ccc(C(=O)[O-])o1)C(C)(C)C ZINC000832981340 601213740 /nfs/dbraw/zinc/21/37/40/601213740.db2.gz HDJLRMXAKJOWRX-MRXNPFEDSA-N -1 0 344.411 3.873 20 0 EHADRM Cc1cnc([C@@H](Nc2nc(Cl)c(C(=O)[O-])s2)C2CC2)s1 ZINC000832985546 601252119 /nfs/dbraw/zinc/25/21/19/601252119.db2.gz HLALGJWODGCQQA-ZETCQYMHSA-N -1 0 329.834 3.823 20 0 EHADRM O=C([O-])CC1(NC(=O)c2ccccc2C(F)(F)F)CCCCC1 ZINC000321874106 601270815 /nfs/dbraw/zinc/27/08/15/601270815.db2.gz QQUICZSZTZPCFU-UHFFFAOYSA-N -1 0 329.318 3.613 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C/C=C\c1ccc(F)cc1)c1ccccc1 ZINC000362420628 601273317 /nfs/dbraw/zinc/27/33/17/601273317.db2.gz RDIKIHFZVNBJGK-VGOKWCNXSA-N -1 0 327.355 3.561 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Cc1cccc2ccccc21)c1ccccc1 ZINC000237745049 601295811 /nfs/dbraw/zinc/29/58/11/601295811.db2.gz CTRZZRZLPYIKJP-VFNWGFHPSA-N -1 0 347.414 3.961 20 0 EHADRM COc1ccc(Cl)cc1C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832362492 601297372 /nfs/dbraw/zinc/29/73/72/601297372.db2.gz KJWXCPPOHDUADB-BDJLRTHQSA-N -1 0 347.798 3.540 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cc(-c2ccccc2)ns1 ZINC000828790054 601305979 /nfs/dbraw/zinc/30/59/79/601305979.db2.gz MMVAWGLJSPTJSJ-UHFFFAOYSA-N -1 0 332.425 3.573 20 0 EHADRM CCOc1ccccc1NC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000830110083 601308459 /nfs/dbraw/zinc/30/84/59/601308459.db2.gz ZLIKRGZVUDPFGL-OAHLLOKOSA-N -1 0 346.358 3.562 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000827049078 601332601 /nfs/dbraw/zinc/33/26/01/601332601.db2.gz UTEWWFRVPHHBGT-BBRMVZONSA-N -1 0 346.427 3.968 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000828201930 601334183 /nfs/dbraw/zinc/33/41/83/601334183.db2.gz XTDUCAVHRMZKKM-HFBDOXOYSA-N -1 0 338.354 3.848 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000828148951 601336683 /nfs/dbraw/zinc/33/66/83/601336683.db2.gz FVNLYLYORATBPM-WFASDCNBSA-N -1 0 342.370 3.934 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000828201698 601337429 /nfs/dbraw/zinc/33/74/29/601337429.db2.gz UZENCXAHSLOXJP-UNEWFSDZSA-N -1 0 345.443 3.981 20 0 EHADRM CCn1c2ccccc2nc1[C@H]1CCCN1Cc1occc1C(=O)[O-] ZINC000567620061 601338616 /nfs/dbraw/zinc/33/86/16/601338616.db2.gz NLZOQYBEEOQMGG-MRXNPFEDSA-N -1 0 339.395 3.685 20 0 EHADRM C[C@H](OC(=O)c1ccc(NC(=O)[O-])cc1)c1ncc(C(C)(C)C)o1 ZINC000827861702 601339754 /nfs/dbraw/zinc/33/97/54/601339754.db2.gz MTJMEMIVUAVXCX-JTQLQIEISA-N -1 0 332.356 3.980 20 0 EHADRM COc1cccc(/C(C)=C/C(=O)O[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000832528401 601359235 /nfs/dbraw/zinc/35/92/35/601359235.db2.gz KFILWXMRDPYHTI-NCUBBLFSSA-N -1 0 344.338 3.607 20 0 EHADRM C[C@H](c1cccs1)c1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC000827965538 601363574 /nfs/dbraw/zinc/36/35/74/601363574.db2.gz CNLXQKWIPHOOAL-SNVBAGLBSA-N -1 0 330.365 3.560 20 0 EHADRM O=C([O-])c1cccc(OCc2noc(/C=C\c3cccc(F)c3)n2)c1 ZINC000833331799 601365447 /nfs/dbraw/zinc/36/54/47/601365447.db2.gz DCNDXMROTCNAAS-FPLPWBNLSA-N -1 0 340.310 3.656 20 0 EHADRM C[C@H](Cc1ccccc1)c1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC000827592172 601367950 /nfs/dbraw/zinc/36/79/50/601367950.db2.gz HNHKCAVMXIMLRX-CYBMUJFWSA-N -1 0 338.363 3.693 20 0 EHADRM COc1cc2nc(C)sc2cc1NCc1cc(C(=O)[O-])oc1C ZINC000832111831 601391274 /nfs/dbraw/zinc/39/12/74/601391274.db2.gz LXGNZECADMAPNW-UHFFFAOYSA-N -1 0 332.381 3.825 20 0 EHADRM C[C@H](C(=O)N[C@H](CC(=O)[O-])c1ccccc1)c1ccc(Cl)s1 ZINC000178277551 601391679 /nfs/dbraw/zinc/39/16/79/601391679.db2.gz SWPXRDXTTQYZHS-CMPLNLGQSA-N -1 0 337.828 3.837 20 0 EHADRM Cc1nc(CCCC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cs1 ZINC000683312460 601392984 /nfs/dbraw/zinc/39/29/84/601392984.db2.gz DAEZTCQZJNENPT-UHFFFAOYSA-N -1 0 338.816 3.765 20 0 EHADRM C[C@H](CC(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-])c1ccccc1F ZINC000262537773 601394310 /nfs/dbraw/zinc/39/43/10/601394310.db2.gz QPJZCABKRFBCFZ-BIENJYKASA-N -1 0 343.398 3.898 20 0 EHADRM C[C@H](C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-])c1ccc(Cl)s1 ZINC000248535216 601395066 /nfs/dbraw/zinc/39/50/66/601395066.db2.gz KAYYLYZWNOIDRB-YFKTTZPYSA-N -1 0 341.860 3.749 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CSc1nnc(-c2ccoc2C)n1C ZINC000830398041 601395373 /nfs/dbraw/zinc/39/53/73/601395373.db2.gz CWUWCCSEORWEMQ-UHFFFAOYSA-N -1 0 347.396 3.529 20 0 EHADRM C[C@@H](C(=O)N(CC(=O)[O-])c1cccc(F)c1)c1ccc(Cl)s1 ZINC000825971785 601427628 /nfs/dbraw/zinc/42/76/28/601427628.db2.gz GBXSEYIWLZLIOH-SECBINFHSA-N -1 0 341.791 3.762 20 0 EHADRM C/C(=C\COC(=O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1)C(=O)[O-] ZINC000825774124 601428230 /nfs/dbraw/zinc/42/82/30/601428230.db2.gz BUAPEYQZTZSKGZ-XYOKQWHBSA-N -1 0 349.383 3.530 20 0 EHADRM O=C([O-])CC1(NC(=O)CCc2ccc(-c3ccccc3F)o2)CCC1 ZINC000262539765 601434106 /nfs/dbraw/zinc/43/41/06/601434106.db2.gz UUXLVWJAWUFRCB-UHFFFAOYSA-N -1 0 345.370 3.532 20 0 EHADRM CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000236892587 601436795 /nfs/dbraw/zinc/43/67/95/601436795.db2.gz CYJUIEGKTQWNQR-MRXNPFEDSA-N -1 0 345.370 3.639 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000825798458 601445501 /nfs/dbraw/zinc/44/55/01/601445501.db2.gz KIJACIGIMPCAQI-RMKNXTFCSA-N -1 0 335.281 3.844 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)CCc3cccs3)ccc2n1C ZINC000832851823 601450674 /nfs/dbraw/zinc/45/06/74/601450674.db2.gz HWSXFGJRVBYCRA-UHFFFAOYSA-N -1 0 343.404 3.785 20 0 EHADRM COc1ccc(NC(=O)[C@@H](C)SCc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000832388098 601456056 /nfs/dbraw/zinc/45/60/56/601456056.db2.gz BMJLVRPXGZZIAW-LLVKDONJSA-N -1 0 349.408 3.555 20 0 EHADRM C[C@H](SCc1cccc(C(=O)[O-])c1)C(=O)Nc1cccc(F)c1 ZINC000827908544 601456723 /nfs/dbraw/zinc/45/67/23/601456723.db2.gz KRSZKYITXXIVON-NSHDSACASA-N -1 0 333.384 3.784 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H](C)c1ccccc1C(F)(F)F ZINC000828617602 601460455 /nfs/dbraw/zinc/46/04/55/601460455.db2.gz GYNYSEDANSTCEV-ZUZCIYMTSA-N -1 0 331.334 3.569 20 0 EHADRM C[C@H](OC(=O)[C@]1(C)CCc2ccccc2C1)c1ccc(C(=O)[O-])o1 ZINC000827816992 601467433 /nfs/dbraw/zinc/46/74/33/601467433.db2.gz FUTASSJMJKYGMS-HXPMCKFVSA-N -1 0 328.364 3.777 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000237109854 601468238 /nfs/dbraw/zinc/46/82/38/601468238.db2.gz FYUVUELGRBMCJC-RNODOKPDSA-N -1 0 343.423 3.712 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1csc2ccccc12 ZINC000324368078 601473635 /nfs/dbraw/zinc/47/36/35/601473635.db2.gz IXNUGNBBJCBPRK-QGZVFWFLSA-N -1 0 337.400 3.726 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1cccc(C(F)(F)F)c1 ZINC000336888894 601476562 /nfs/dbraw/zinc/47/65/62/601476562.db2.gz KWNOTTIDGIMQLG-HNNXBMFYSA-N -1 0 349.308 3.530 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CS[C@@H]2CCc3ccc(F)cc32)cc1 ZINC000833114561 601481065 /nfs/dbraw/zinc/48/10/65/601481065.db2.gz HHYPBPJYXINWKL-MRXNPFEDSA-N -1 0 345.395 3.883 20 0 EHADRM CCC1CCC(NCc2nc(-c3ccc(C)cc3)no2)(C(=O)[O-])CC1 ZINC000829106753 601494051 /nfs/dbraw/zinc/49/40/51/601494051.db2.gz CKCWCHIPNPMTRY-UHFFFAOYSA-N -1 0 343.427 3.558 20 0 EHADRM O=C([O-])c1cccc(OC(=O)c2ccc3ccc(Cl)cc3n2)c1 ZINC000833331348 601499399 /nfs/dbraw/zinc/49/93/99/601499399.db2.gz CKTIGLLSRRMGGU-UHFFFAOYSA-N -1 0 327.723 3.806 20 0 EHADRM Cc1ccc(/C=C/CC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000832928537 601500603 /nfs/dbraw/zinc/50/06/03/601500603.db2.gz UCCKIIDOZMQOAH-ZMUQKWFASA-N -1 0 341.382 3.870 20 0 EHADRM C[C@H]1CC/C(=C\C(=O)NCc2c3ccccc3sc2C(=O)[O-])C1 ZINC000828201497 601501006 /nfs/dbraw/zinc/50/10/06/601501006.db2.gz SQDQVIGGRVUYJO-UTEVDWOZSA-N -1 0 329.421 3.962 20 0 EHADRM Cc1ccc(/C=C/CC(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])cc1 ZINC000678978837 601503388 /nfs/dbraw/zinc/50/33/88/601503388.db2.gz HYXXEDUNNWDPEH-DPZZJQGRSA-N -1 0 335.403 3.609 20 0 EHADRM C[C@H]1C[C@@H](CC(=O)N(CCC(=O)[O-])Cc2ccncc2)CC(C)(C)C1 ZINC000828167444 601512389 /nfs/dbraw/zinc/51/23/89/601512389.db2.gz GTFUWCBXNMDNEF-RDJZCZTQSA-N -1 0 346.471 3.737 20 0 EHADRM Cn1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1C(=O)[O-] ZINC000833049717 601526906 /nfs/dbraw/zinc/52/69/06/601526906.db2.gz UAAXHAXBYKFAIQ-UHFFFAOYSA-N -1 0 328.155 3.674 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)C1CC1 ZINC000767068371 601529030 /nfs/dbraw/zinc/52/90/30/601529030.db2.gz FYBPFXQKNOOFKN-CYBMUJFWSA-N -1 0 333.771 3.583 20 0 EHADRM Cc1cc(C(=O)Nc2nc(C(C)C)cs2)cc(C)c1OCC(=O)[O-] ZINC000832866483 601530580 /nfs/dbraw/zinc/53/05/80/601530580.db2.gz CYLDGWXSATYUPV-UHFFFAOYSA-N -1 0 348.424 3.599 20 0 EHADRM Cc1cccc2sc(C(=O)N[C@@H](CC(=O)[O-])C3CC3)c(Cl)c21 ZINC000776633223 601537898 /nfs/dbraw/zinc/53/78/98/601537898.db2.gz LNCWYHUDTDXGMS-JTQLQIEISA-N -1 0 337.828 3.846 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1occc1CSc1ccccc1)C1CC1 ZINC000833201174 601541353 /nfs/dbraw/zinc/54/13/53/601541353.db2.gz SNXBNCOMTOPXLC-OAHLLOKOSA-N -1 0 345.420 3.555 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1Cc1coc(-c2cccs2)n1 ZINC000392130078 601543568 /nfs/dbraw/zinc/54/35/68/601543568.db2.gz KYKKONHFMRTADS-INIZCTEOSA-N -1 0 340.404 3.587 20 0 EHADRM O=C([O-])NCCCC(=O)N1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000833279874 601545017 /nfs/dbraw/zinc/54/50/17/601545017.db2.gz QYPIKMQCAROIGA-GZKZCVOOSA-N -1 0 330.428 3.519 20 0 EHADRM Cc1nc(CN(CCC(=O)[O-])Cc2ccc(F)c(F)c2)sc1C ZINC000514791048 601547387 /nfs/dbraw/zinc/54/73/87/601547387.db2.gz BPHZZAQGOJARHJ-UHFFFAOYSA-N -1 0 340.395 3.515 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1sc2cc(Cl)ccc2c1Cl)C1CC1 ZINC000054501779 601589086 /nfs/dbraw/zinc/58/90/86/601589086.db2.gz HYVXVGDITDLRCD-LLVKDONJSA-N -1 0 344.219 3.801 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1sc2cc(Cl)ccc2c1Cl)C1CC1 ZINC000054501776 601589166 /nfs/dbraw/zinc/58/91/66/601589166.db2.gz HYVXVGDITDLRCD-NSHDSACASA-N -1 0 344.219 3.801 20 0 EHADRM Cc1nc(Cl)sc1C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000833001067 601591171 /nfs/dbraw/zinc/59/11/71/601591171.db2.gz UJBGNGFMJKRPRD-VIFPVBQESA-N -1 0 346.191 3.741 20 0 EHADRM O=C([O-])C1(CNC(=O)c2ccccc2Cc2ccccc2)CCCC1 ZINC000676024218 601601912 /nfs/dbraw/zinc/60/19/12/601601912.db2.gz YSFGAMOBMPEVEK-UHFFFAOYSA-N -1 0 337.419 3.652 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NCc2noc(-c3ccsc3)n2)cc1 ZINC000826127258 601606721 /nfs/dbraw/zinc/60/67/21/601606721.db2.gz QNLRXOQTNWZNNQ-UHFFFAOYSA-N -1 0 343.408 3.772 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1cc2c(cccc2F)s1 ZINC000390365586 601612504 /nfs/dbraw/zinc/61/25/04/601612504.db2.gz NUDWBRPIESMVGU-UHFFFAOYSA-N -1 0 329.352 3.920 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1cnc(-c2ccccc2)s1 ZINC000238102286 601612807 /nfs/dbraw/zinc/61/28/07/601612807.db2.gz SVVXRLBYYQXFAH-UHFFFAOYSA-N -1 0 338.388 3.690 20 0 EHADRM CCc1cccc(NC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000830265919 601614885 /nfs/dbraw/zinc/61/48/85/601614885.db2.gz VRKBCAOQSBXHAU-SUMWQHHRSA-N -1 0 326.396 3.833 20 0 EHADRM CSc1ccc(NC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000832780882 601616347 /nfs/dbraw/zinc/61/63/47/601616347.db2.gz KNCXQESHVHYVKO-BLLLJJGKSA-N -1 0 344.436 3.992 20 0 EHADRM CSc1ccc(NC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000832780884 601616409 /nfs/dbraw/zinc/61/64/09/601616409.db2.gz KNCXQESHVHYVKO-MLGOLLRUSA-N -1 0 344.436 3.992 20 0 EHADRM CCCCOc1ccc(NC(=O)N[C@@H](CC(=O)[O-])C2CC2)c(C)c1 ZINC000829422203 601621197 /nfs/dbraw/zinc/62/11/97/601621197.db2.gz QVXPBAQKVKAAAI-INIZCTEOSA-N -1 0 334.416 3.549 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)N2CCC[C@H]3CCC[C@H]32)c1 ZINC000833263396 601624178 /nfs/dbraw/zinc/62/41/78/601624178.db2.gz NOMMWNPFHHMWKO-GDBMZVCRSA-N -1 0 348.468 3.801 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COc1ccc2c(C)cc(=O)oc2c1 ZINC000321252521 601627666 /nfs/dbraw/zinc/62/76/66/601627666.db2.gz KKIKVLQBIKZVFF-UHFFFAOYSA-N -1 0 330.361 3.749 20 0 EHADRM CC[C@@H](C)C[S@@](=O)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000828747708 601636210 /nfs/dbraw/zinc/63/62/10/601636210.db2.gz TYDDVJDECFBKOU-RKFFSXRUSA-N -1 0 337.466 3.803 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)c1 ZINC000238143539 601637067 /nfs/dbraw/zinc/63/70/67/601637067.db2.gz WCKNQKVBYWJFDU-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM CCCCC[C@H](NC(=O)c1cc(SC)ccc1Cl)C(=O)[O-] ZINC000236669479 601644558 /nfs/dbraw/zinc/64/45/58/601644558.db2.gz WVQGWJOBHZSOFO-ZDUSSCGKSA-N -1 0 329.849 3.825 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NCc1nc2cc(F)ccc2o1)c1ccccc1 ZINC000826051602 601650862 /nfs/dbraw/zinc/65/08/62/601650862.db2.gz CUQGXQYFFNYTNV-APPDUMDISA-N -1 0 328.343 3.519 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NCc1nc2cc(F)ccc2o1)c1ccccc1 ZINC000826051604 601650958 /nfs/dbraw/zinc/65/09/58/601650958.db2.gz CUQGXQYFFNYTNV-DIFFPNOSSA-N -1 0 328.343 3.519 20 0 EHADRM Cc1c(NC(=O)CCCc2ccc(F)c(F)c2)cccc1C(=O)[O-] ZINC000678976557 601651937 /nfs/dbraw/zinc/65/19/37/601651937.db2.gz ZRHNVOUHNZUUOS-UHFFFAOYSA-N -1 0 333.334 3.933 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2C[C@H]2Cc2ccccc2)ccc1Cl ZINC000833300159 601652700 /nfs/dbraw/zinc/65/27/00/601652700.db2.gz KXPHPPAWAYKETN-OCCSQVGLSA-N -1 0 329.783 3.856 20 0 EHADRM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(NC(=O)[O-])cc2)C1(CC)CC ZINC000829917256 601662884 /nfs/dbraw/zinc/66/28/84/601662884.db2.gz FAOSKULCRVOBRO-CVEARBPZSA-N -1 0 348.443 3.832 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)c1cc(F)cc(Cl)c1 ZINC000833234905 601666876 /nfs/dbraw/zinc/66/68/76/601666876.db2.gz XPIRCOCSVOCJPF-UHFFFAOYSA-N -1 0 335.762 3.596 20 0 EHADRM CC(C)CC1(C(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)CCC1 ZINC000826826472 601671076 /nfs/dbraw/zinc/67/10/76/601671076.db2.gz JWGNCOJKXWLFGN-UHFFFAOYSA-N -1 0 347.440 3.991 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OC(=O)CCSc1ccccn1 ZINC000833100517 601671599 /nfs/dbraw/zinc/67/15/99/601671599.db2.gz FZGVBRXZGOFLAW-UHFFFAOYSA-N -1 0 337.784 3.521 20 0 EHADRM O=C([O-])c1ccc(CSc2nc3cc(F)c(F)cc3[nH]2)cc1F ZINC000833317675 601674600 /nfs/dbraw/zinc/67/46/00/601674600.db2.gz ZAYVBBGOLIUBSY-UHFFFAOYSA-N -1 0 338.310 3.971 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc(F)cc(Cl)c1)c1ccc(Cl)cc1 ZINC000833124480 601678685 /nfs/dbraw/zinc/67/86/85/601678685.db2.gz CQXOWQNJWVLWCC-CYBMUJFWSA-N -1 0 342.153 3.688 20 0 EHADRM Cc1cc(C)c2nc(C3CC3)cc(C(=O)N(C)C[C@@H](C)C(=O)[O-])c2c1 ZINC000190932909 601687322 /nfs/dbraw/zinc/68/73/22/601687322.db2.gz KGRNVULVUHOABG-CYBMUJFWSA-N -1 0 340.423 3.522 20 0 EHADRM C[C@@H](N(C)C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)C1(C)CC1 ZINC000827603003 601688330 /nfs/dbraw/zinc/68/83/30/601688330.db2.gz FFTVCLHEGUOBNV-CYBMUJFWSA-N -1 0 345.443 3.637 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)N1CCC(=Cc2ccccc2F)CC1 ZINC000826793605 601690127 /nfs/dbraw/zinc/69/01/27/601690127.db2.gz QBDUYFMPIHVWBR-QGZVFWFLSA-N -1 0 348.418 3.514 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCC(=Cc3ccccc3F)CC2)C1 ZINC000833187678 601690427 /nfs/dbraw/zinc/69/04/27/601690427.db2.gz ZEEQUSMVGTZIIY-DLBZAZTESA-N -1 0 345.414 3.723 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)N2CCc3c(F)ccc(F)c3C2)c1 ZINC000833288756 601696760 /nfs/dbraw/zinc/69/67/60/601696760.db2.gz MFULTGMJEKYTCC-UHFFFAOYSA-N -1 0 347.321 3.645 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)[C@H]1C ZINC000828276528 601718523 /nfs/dbraw/zinc/71/85/23/601718523.db2.gz CMANKDYRDWXBJA-OLZOCXBDSA-N -1 0 336.457 3.657 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2ccc(-c3cnco3)cc2)cc1F ZINC000833352378 601724928 /nfs/dbraw/zinc/72/49/28/601724928.db2.gz ARDCGDVUISJVDF-UHFFFAOYSA-N -1 0 341.294 3.536 20 0 EHADRM CC(C)(C(=O)OCc1ccc(C(=O)[O-])c(F)c1)c1ccc(F)cc1 ZINC000826127088 601727391 /nfs/dbraw/zinc/72/73/91/601727391.db2.gz MXTDIVXHHOGNGT-UHFFFAOYSA-N -1 0 334.318 3.684 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)OCc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000832529254 601734281 /nfs/dbraw/zinc/73/42/81/601734281.db2.gz WVMDNJYHEVMMQI-LBPRGKRZSA-N -1 0 346.354 3.770 20 0 EHADRM O=C([O-])CCCc1csc(NC(=O)c2cccc(F)c2Cl)n1 ZINC000387639470 601743007 /nfs/dbraw/zinc/74/30/07/601743007.db2.gz SJFRHUAMAVOBGR-UHFFFAOYSA-N -1 0 342.779 3.595 20 0 EHADRM Cc1c2nc(NC(=O)c3ccc(C(=O)[O-])s3)sc2ccc1F ZINC000832854949 601750333 /nfs/dbraw/zinc/75/03/33/601750333.db2.gz YPFCULUTNOCKCK-UHFFFAOYSA-N -1 0 336.369 3.756 20 0 EHADRM Cc1c2nc(NC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)sc2ccc1F ZINC000832854672 601750448 /nfs/dbraw/zinc/75/04/48/601750448.db2.gz NERNEKFDPKURCQ-ZJUUUORDSA-N -1 0 336.388 3.573 20 0 EHADRM CSc1cc(C)ccc1CNC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000832774184 601751954 /nfs/dbraw/zinc/75/19/54/601751954.db2.gz DQJSVWTZUDHMKQ-UHFFFAOYSA-N -1 0 330.409 3.737 20 0 EHADRM CC[C@@H](NC(=O)c1ccccc1OCc1ccc(Cl)cc1)C(=O)[O-] ZINC000236967670 601752089 /nfs/dbraw/zinc/75/20/89/601752089.db2.gz MHISUTXYLQABNJ-OAHLLOKOSA-N -1 0 347.798 3.512 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc(SC(F)F)cc1)C1CCCCC1 ZINC000833124288 601753537 /nfs/dbraw/zinc/75/35/37/601753537.db2.gz WWBSDLJONUNKLL-CYBMUJFWSA-N -1 0 343.395 3.765 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)Nc2ccccc2CCC(F)(F)F)C1 ZINC000263056788 601758986 /nfs/dbraw/zinc/75/89/86/601758986.db2.gz NZOFNRMEIGFAOA-LBPRGKRZSA-N -1 0 344.333 3.510 20 0 EHADRM Cc1ccc(Cl)c(NC(=S)N2C[C@H](C(=O)[O-])[C@H](C)C2)c1Cl ZINC000832935848 601765375 /nfs/dbraw/zinc/76/53/75/601765375.db2.gz ZRFWBHVEESBMKJ-BDAKNGLRSA-N -1 0 347.267 3.651 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000833329661 601779536 /nfs/dbraw/zinc/77/95/36/601779536.db2.gz GYVYSQAXYOGHTG-AWEZNQCLSA-N -1 0 328.343 3.545 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)cc1Cl ZINC000833319977 601794595 /nfs/dbraw/zinc/79/45/95/601794595.db2.gz QOCOPNNTQNBLJZ-CYBMUJFWSA-N -1 0 348.790 3.520 20 0 EHADRM Cc1cc(CCCC(=O)N(CCC(=O)[O-])CC(C)C)c(C)s1 ZINC000236706221 601801391 /nfs/dbraw/zinc/80/13/91/601801391.db2.gz HIWYEGCNDXAALN-UHFFFAOYSA-N -1 0 325.474 3.647 20 0 EHADRM Cc1cccc(N(CC(=O)[O-])C(=O)[C@@H](C)c2ccc3ccccc3c2)n1 ZINC000832970127 601803927 /nfs/dbraw/zinc/80/39/27/601803927.db2.gz SQUDTWOXLWUNLB-HNNXBMFYSA-N -1 0 348.402 3.765 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(CCC(F)(F)F)cc2)cn1 ZINC000674664428 601805644 /nfs/dbraw/zinc/80/56/44/601805644.db2.gz PYHZHARKYPNKSS-UHFFFAOYSA-N -1 0 338.285 3.527 20 0 EHADRM Cc1cc(CCCC(=O)N(CC(=O)[O-])c2cccc(F)c2)c(C)s1 ZINC000832881431 601805871 /nfs/dbraw/zinc/80/58/71/601805871.db2.gz CIXZDUDAMKIHMF-UHFFFAOYSA-N -1 0 349.427 3.945 20 0 EHADRM C[C@H](Oc1ccccc1F)C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000827902848 601808000 /nfs/dbraw/zinc/80/80/00/601808000.db2.gz VJBOMHLSZJTWHE-VIFPVBQESA-N -1 0 349.383 3.869 20 0 EHADRM O=C([O-])c1ccc(CS[C@@H]2CCN(c3ccccc3)C2=O)cc1F ZINC000833316373 601814901 /nfs/dbraw/zinc/81/49/01/601814901.db2.gz CHDQTHXNERQLKP-MRXNPFEDSA-N -1 0 345.395 3.563 20 0 EHADRM CC/C(=C\C(=O)N1CCC(CCC(=O)[O-])CC1)c1ccc(C)cc1 ZINC000777372317 601814953 /nfs/dbraw/zinc/81/49/53/601814953.db2.gz HBVNWPGRKFMABI-SAPNQHFASA-N -1 0 329.440 3.892 20 0 EHADRM O=C([O-])c1c(C2CC2)csc1NC(=O)c1ccc(F)c(F)c1F ZINC000833161169 601816980 /nfs/dbraw/zinc/81/69/80/601816980.db2.gz BYDRVAAKPSOLBK-UHFFFAOYSA-N -1 0 341.310 3.993 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000539686719 601822063 /nfs/dbraw/zinc/82/20/63/601822063.db2.gz GINJJHJCFCZARQ-INIZCTEOSA-N -1 0 335.469 3.661 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)N[C@H]2CCCCc3ccccc32)CC1 ZINC000659395900 601826252 /nfs/dbraw/zinc/82/62/52/601826252.db2.gz YRVAHUFXGBSLTL-SFHVURJKSA-N -1 0 344.455 3.741 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)N[C@@H](CC2CC2)c2ccccc2)CC1 ZINC000833224096 601828411 /nfs/dbraw/zinc/82/84/11/601828411.db2.gz MXUKLVHFUJWUAC-SFHVURJKSA-N -1 0 344.455 3.814 20 0 EHADRM N#CN(Cc1csc(-c2cccc(C(=O)[O-])c2)n1)c1ccccc1 ZINC000833068753 601829883 /nfs/dbraw/zinc/82/98/83/601829883.db2.gz CEBOFCSKIWKOEV-UHFFFAOYSA-N -1 0 335.388 3.996 20 0 EHADRM Cc1cccc(-c2noc(CNc3cc(F)c(F)cc3C(=O)[O-])n2)c1 ZINC000832960531 601831252 /nfs/dbraw/zinc/83/12/52/601831252.db2.gz KHSPZLDJXZGFIG-UHFFFAOYSA-N -1 0 345.305 3.634 20 0 EHADRM COC(=O)c1ccc(NCc2nc(C(C)(C)C)cs2)cc1C(=O)[O-] ZINC000831434804 601832569 /nfs/dbraw/zinc/83/25/69/601832569.db2.gz DSPFSMMVKXWEFX-UHFFFAOYSA-N -1 0 348.424 3.538 20 0 EHADRM CCO[C@H](C)c1nc(CN(C)Cc2ccsc2C(=O)[O-])cs1 ZINC000569009818 601834137 /nfs/dbraw/zinc/83/41/37/601834137.db2.gz AVDCEASVIUGNTO-SNVBAGLBSA-N -1 0 340.470 3.632 20 0 EHADRM C[C@H](SCc1ccc(C(=O)[O-])s1)C(=O)N(C)c1ccccc1 ZINC000827908590 601846197 /nfs/dbraw/zinc/84/61/97/601846197.db2.gz LHNTUCKAAGLIJR-NSHDSACASA-N -1 0 335.450 3.731 20 0 EHADRM O=C([O-])c1ccc(CSCC(=O)Nc2cccc(Cl)c2)s1 ZINC000833116019 601847120 /nfs/dbraw/zinc/84/71/20/601847120.db2.gz OWZTUHXYVAQTHM-UHFFFAOYSA-N -1 0 341.841 3.972 20 0 EHADRM CCN(C(=O)CSCc1ccc(C(=O)[O-])s1)C1CCCCC1 ZINC000829597159 601847218 /nfs/dbraw/zinc/84/72/18/601847218.db2.gz JJUSACPHWNYMRD-UHFFFAOYSA-N -1 0 341.498 3.861 20 0 EHADRM O=C([O-])NC1(CNC(=O)c2[nH]c3ccccc3c2Cl)CCCCC1 ZINC000740548942 601860680 /nfs/dbraw/zinc/86/06/80/601860680.db2.gz ZANWRHVPYFAYNP-UHFFFAOYSA-N -1 0 349.818 3.522 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)C2(c3cccc(F)c3)CC2)cc1 ZINC000833263672 601872734 /nfs/dbraw/zinc/87/27/34/601872734.db2.gz PZUPPHDVWBYFBB-UHFFFAOYSA-N -1 0 346.379 3.640 20 0 EHADRM CCN(C(=O)C1CCC(NC(=O)[O-])CC1)[C@H](C)c1ccc(F)cc1 ZINC000739377130 601873769 /nfs/dbraw/zinc/87/37/69/601873769.db2.gz FAQAGICBQBSCNH-XEBKBJJBSA-N -1 0 336.407 3.562 20 0 EHADRM CC[C@H](C(=O)Oc1ccc(SCC(=O)[O-])cc1)c1c(C)noc1C ZINC000828604265 601878165 /nfs/dbraw/zinc/87/81/65/601878165.db2.gz YVSSUUNQVCIDIZ-AWEZNQCLSA-N -1 0 349.408 3.567 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)c1cc(F)c(F)cc1Cl ZINC000833131935 601905849 /nfs/dbraw/zinc/90/58/49/601905849.db2.gz LPTJRZMOOYLLKF-XPTSAGLGSA-N -1 0 345.773 3.772 20 0 EHADRM C[C@@H]1CCCC[C@@H]1N(C)C(=O)CSCc1ccc(C(=O)[O-])s1 ZINC000828245762 601911665 /nfs/dbraw/zinc/91/16/65/601911665.db2.gz NQOHXYUOOZCYPW-YPMHNXCESA-N -1 0 341.498 3.717 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000262055216 601913485 /nfs/dbraw/zinc/91/34/85/601913485.db2.gz AMRZXACDLNLBFV-PVAVHDDUSA-N -1 0 347.455 3.729 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2cc3cc(Cl)ccc3o2)c1 ZINC000238218856 601926090 /nfs/dbraw/zinc/92/60/90/601926090.db2.gz ZATJEXZPRCGUDX-UHFFFAOYSA-N -1 0 329.739 3.714 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000236900279 601926154 /nfs/dbraw/zinc/92/61/54/601926154.db2.gz LOIULDYRCSXKJD-AWEZNQCLSA-N -1 0 341.407 3.594 20 0 EHADRM O=C([O-])c1ccc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)s1 ZINC000576123717 601942371 /nfs/dbraw/zinc/94/23/71/601942371.db2.gz ZCJPSVPJVKHFJA-CQSZACIVSA-N -1 0 337.828 3.673 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[O-])c1 ZINC000739794742 601966722 /nfs/dbraw/zinc/96/67/22/601966722.db2.gz CNIIHJFIRVOMTN-QCPWZWHMSA-N -1 0 346.427 3.644 20 0 EHADRM O=C([O-])Cc1cccc(NCC(=O)Nc2ccc3ccccc3c2)c1 ZINC000738624860 601969064 /nfs/dbraw/zinc/96/90/64/601969064.db2.gz JCMLKERNZRRKAD-UHFFFAOYSA-N -1 0 334.375 3.518 20 0 EHADRM CN(C)C(=O)Sc1cccc(CNc2cccc(CC(=O)[O-])c2)c1 ZINC000818374311 601969388 /nfs/dbraw/zinc/96/93/88/601969388.db2.gz LEGGPCJNMXBMDL-UHFFFAOYSA-N -1 0 344.436 3.700 20 0 EHADRM O=C([O-])Cc1cccc(NCc2ncc(-c3ccccc3F)o2)c1 ZINC000819585928 601969929 /nfs/dbraw/zinc/96/99/29/601969929.db2.gz LVTDNXKIQPEQNR-UHFFFAOYSA-N -1 0 326.327 3.720 20 0 EHADRM Cc1oc(COC(=O)c2cc(C)c(F)cc2Cl)cc1C(=O)[O-] ZINC000832869625 601972273 /nfs/dbraw/zinc/97/22/73/601972273.db2.gz GTGQWJHBLASQJD-UHFFFAOYSA-N -1 0 326.707 3.744 20 0 EHADRM O=C([O-])Nc1cc(C(=O)NCc2ccsc2)cc(C(F)(F)F)c1 ZINC000833281727 601980925 /nfs/dbraw/zinc/98/09/25/601980925.db2.gz NEPSKEMUJBIXBA-UHFFFAOYSA-N -1 0 344.314 3.787 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2ccc(Br)cc2)s1 ZINC000833352478 601997624 /nfs/dbraw/zinc/99/76/24/601997624.db2.gz FGQXJNVIXFZJBV-UHFFFAOYSA-N -1 0 341.182 3.566 20 0 EHADRM O=C([O-])c1ccc(COC(=O)/C=C\c2ccc(Cl)s2)s1 ZINC000833095035 601999918 /nfs/dbraw/zinc/99/99/18/601999918.db2.gz OTTXHBWGZUWTJH-UTCJRWHESA-N -1 0 328.798 3.918 20 0 EHADRM Cc1cccc2sc(C(=O)N3CC[C@](C)(C(=O)[O-])C3)c(Cl)c21 ZINC000678982663 602007822 /nfs/dbraw/zinc/00/78/22/602007822.db2.gz KTLCLYRPEKQJMC-INIZCTEOSA-N -1 0 337.828 3.800 20 0 EHADRM Cc1c(Cl)cccc1OCC(=O)OCc1ccc(C(=O)[O-])s1 ZINC000832854224 602009724 /nfs/dbraw/zinc/00/97/24/602009724.db2.gz BOOSMZVLMGXXCU-UHFFFAOYSA-N -1 0 340.784 3.530 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@@H]2SCCc3ccccc32)s1 ZINC000833314942 602011858 /nfs/dbraw/zinc/01/18/58/602011858.db2.gz BMEOOJAHHNTRNQ-CQSZACIVSA-N -1 0 334.418 3.520 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)c2cc(-c3cccs3)[nH]n2)c1 ZINC000740704482 602025857 /nfs/dbraw/zinc/02/58/57/602025857.db2.gz MDLJCMHXEVNEPB-UHFFFAOYSA-N -1 0 346.343 3.620 20 0 EHADRM CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2cc(C(=O)[O-])ccc2F)C1 ZINC000830151014 602031623 /nfs/dbraw/zinc/03/16/23/602031623.db2.gz SMUWDAHSAYHGKD-NWDGAFQWSA-N -1 0 340.420 3.662 20 0 EHADRM CCC(CC)[C@H](NC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccccc1 ZINC000262914152 602060172 /nfs/dbraw/zinc/06/01/72/602060172.db2.gz DYARNWLWPXWQMV-QFBILLFUSA-N -1 0 332.444 3.670 20 0 EHADRM CC(C)c1ccc([C@@H](C)NC(=O)N2CCC[C@@H](CNC(=O)[O-])C2)cc1 ZINC000738875369 602060397 /nfs/dbraw/zinc/06/03/97/602060397.db2.gz FWTWVKGIBRFDTN-CABCVRRESA-N -1 0 347.459 3.560 20 0 EHADRM O=C([O-])c1ccc(OCc2ccccc2)c(NC(=O)c2ccoc2)c1 ZINC000833323969 602063947 /nfs/dbraw/zinc/06/39/47/602063947.db2.gz PCSKUDRZAWCCMS-UHFFFAOYSA-N -1 0 337.331 3.809 20 0 EHADRM Cc1ccc2c(c1)[C@H](NC(=O)NCCCCCCCC(=O)[O-])CC2 ZINC000832961892 602068541 /nfs/dbraw/zinc/06/85/41/602068541.db2.gz NIMXJODZMYHSRM-QGZVFWFLSA-N -1 0 332.444 3.707 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000238110264 602068847 /nfs/dbraw/zinc/06/88/47/602068847.db2.gz PLNVOQDMVFSZTL-UHFFFAOYSA-N -1 0 337.297 3.514 20 0 EHADRM Cc1ccccc1[C@@H](CC(C)C)NC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000263228370 602069296 /nfs/dbraw/zinc/06/92/96/602069296.db2.gz MBIXNKJBZRCMDP-VQIMIIECSA-N -1 0 332.444 3.588 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)c1 ZINC000345777738 602069376 /nfs/dbraw/zinc/06/93/76/602069376.db2.gz MNCCNTLKCOGHAW-CVEARBPZSA-N -1 0 329.783 3.709 20 0 EHADRM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000237015329 602069915 /nfs/dbraw/zinc/06/99/15/602069915.db2.gz DUTMGUHQOPAQHH-HNNXBMFYSA-N -1 0 347.798 3.763 20 0 EHADRM Cc1cc(C(=O)CCC(=O)Nc2cccc(CC(=O)[O-])c2)c(C)s1 ZINC000262755263 602070185 /nfs/dbraw/zinc/07/01/85/602070185.db2.gz OHVOLMNNFOCAKB-UHFFFAOYSA-N -1 0 345.420 3.594 20 0 EHADRM COc1ccc2oc(C)c(C(=O)Nc3cccc(CC(=O)[O-])c3)c2c1 ZINC000237316182 602073854 /nfs/dbraw/zinc/07/38/54/602073854.db2.gz SEXLKEOHVDSMPH-UHFFFAOYSA-N -1 0 339.347 3.629 20 0 EHADRM CC(C)[C@@H]1c2ccccc2CCN1C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000826748173 602080093 /nfs/dbraw/zinc/08/00/93/602080093.db2.gz XLNHTMOTUKCLKW-LZLYRXPVSA-N -1 0 329.440 3.659 20 0 EHADRM Cc1cccnc1C(=O)O[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000832983550 602089718 /nfs/dbraw/zinc/08/97/18/602089718.db2.gz KFANWSMNFGDZLX-CYBMUJFWSA-N -1 0 340.162 3.680 20 0 EHADRM Cc1ccccc1[C@@H]1CCN(C(=O)NCCCCCCCC(=O)[O-])C1 ZINC000832977033 602096677 /nfs/dbraw/zinc/09/66/77/602096677.db2.gz AWTUWCPRQJWFSJ-QGZVFWFLSA-N -1 0 346.471 3.919 20 0 EHADRM CCO[C@H]1C[C@H](N(C)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)C12CCC2 ZINC000829917466 602101705 /nfs/dbraw/zinc/10/17/05/602101705.db2.gz GNTUWBHXSLUYKS-HOTGVXAUSA-N -1 0 346.427 3.505 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000237558890 602107749 /nfs/dbraw/zinc/10/77/49/602107749.db2.gz SSIGWEWCTGLWNX-GXTWGEPZSA-N -1 0 339.457 3.508 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc2sccc2c1)c1cccs1 ZINC000678976777 602107785 /nfs/dbraw/zinc/10/77/85/602107785.db2.gz GYRATJQYVUOFSG-LBPRGKRZSA-N -1 0 331.418 3.909 20 0 EHADRM C[C@@H](NC(=O)[C@@H](C)CC(=O)[O-])c1ccc(Oc2ccccc2)c(F)c1 ZINC000827273809 602108611 /nfs/dbraw/zinc/10/86/11/602108611.db2.gz UHGJFOIUOCZXGO-QWHCGFSZSA-N -1 0 345.370 3.906 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)Nc1ccc(-c2csc(C)n2)cc1 ZINC000739227379 602109254 /nfs/dbraw/zinc/10/92/54/602109254.db2.gz BZLVPDBQLPVPGG-BONVTDFDSA-N -1 0 347.440 3.739 20 0 EHADRM CS/C=C\C(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C1CC1 ZINC000832752833 602111541 /nfs/dbraw/zinc/11/15/41/602111541.db2.gz CDLLYVMCPOPVAW-FPLPWBNLSA-N -1 0 331.393 3.765 20 0 EHADRM O=C([O-])c1ccc(OCc2ccccc2)c(NC(=O)N2CCCC2)c1 ZINC000833321972 602111897 /nfs/dbraw/zinc/11/18/97/602111897.db2.gz BKGBRRSZNWHYLK-UHFFFAOYSA-N -1 0 340.379 3.592 20 0 EHADRM O=C([O-])COc1ccc(NCc2nccn2C(F)F)c2ccccc12 ZINC000833258963 602114341 /nfs/dbraw/zinc/11/43/41/602114341.db2.gz DNTLIGNKIOATOR-UHFFFAOYSA-N -1 0 347.321 3.507 20 0 EHADRM O=C([O-])COc1ccc(NCc2ccc(Cl)nc2)c2ccccc12 ZINC000833258937 602114393 /nfs/dbraw/zinc/11/43/93/602114393.db2.gz CCALBGMGGSOCNZ-UHFFFAOYSA-N -1 0 342.782 3.964 20 0 EHADRM CC(C)c1sc(NC(=O)[C@@H](C)CC(=O)[O-])nc1-c1ccccc1 ZINC000827325194 602116412 /nfs/dbraw/zinc/11/64/12/602116412.db2.gz QMGJDURVJIEORO-NSHDSACASA-N -1 0 332.425 3.983 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1ccc2sccc2c1 ZINC000832523138 602121742 /nfs/dbraw/zinc/12/17/42/602121742.db2.gz HGHNDFAKJMMPPT-UHFFFAOYSA-N -1 0 328.345 3.827 20 0 EHADRM CCC[C@](C)(NC(=O)[O-])C(=O)Nc1cccc(-c2nccs2)c1 ZINC000739292701 602131473 /nfs/dbraw/zinc/13/14/73/602131473.db2.gz AJWSOICXOFFTDI-INIZCTEOSA-N -1 0 333.413 3.575 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)Nc1ccc(N[C@H](C)c2ccccc2)cc1 ZINC000827311075 602138546 /nfs/dbraw/zinc/13/85/46/602138546.db2.gz PKAPJPDMRVLWTE-ZIAGYGMSSA-N -1 0 326.396 3.909 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000827255160 602140301 /nfs/dbraw/zinc/14/03/01/602140301.db2.gz CQUKXGMJRFDTIZ-FZMZJTMJSA-N -1 0 343.345 3.870 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2nc(-c3ccccc3)cs2)c1 ZINC000738625417 602142206 /nfs/dbraw/zinc/14/22/06/602142206.db2.gz MWRBALTZDVRWQA-UHFFFAOYSA-N -1 0 338.388 3.690 20 0 EHADRM CC(C)N(C(=O)CCCN(C)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000826924998 602142260 /nfs/dbraw/zinc/14/22/60/602142260.db2.gz VAQWULYQLMABHM-UHFFFAOYSA-N -1 0 346.349 3.837 20 0 EHADRM CCc1nc2ccccc2c(C(=O)Nc2cccc(CC(=O)[O-])c2)c1C ZINC000737912305 602142299 /nfs/dbraw/zinc/14/22/99/602142299.db2.gz OTZSPJCCALBYGI-UHFFFAOYSA-N -1 0 348.402 3.985 20 0 EHADRM CSc1cc(C(=O)N[C@](C)(C(=O)[O-])C2CC2)c(Cl)cc1Cl ZINC000237298622 602149072 /nfs/dbraw/zinc/14/90/72/602149072.db2.gz JAIHJHMGKIEWEY-AWEZNQCLSA-N -1 0 348.251 3.698 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=S)Nc1ccc(F)cc1)c1ccccc1 ZINC000826105815 602152191 /nfs/dbraw/zinc/15/21/91/602152191.db2.gz KEBHUQXVWBIFPX-HNNXBMFYSA-N -1 0 346.427 3.964 20 0 EHADRM Cc1ccccc1Oc1ccccc1CNC(=O)[C@@H](C)CC(=O)[O-] ZINC000832982018 602152830 /nfs/dbraw/zinc/15/28/30/602152830.db2.gz VBOSIRGXICOMSQ-AWEZNQCLSA-N -1 0 327.380 3.514 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 ZINC000827317186 602157277 /nfs/dbraw/zinc/15/72/77/602157277.db2.gz JNLNXQTZSHBOON-JTQLQIEISA-N -1 0 342.326 3.683 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc2sccc2c1)c1ccccc1F ZINC000678991293 602169743 /nfs/dbraw/zinc/16/97/43/602169743.db2.gz ZKHKLVCFABKODI-OAHLLOKOSA-N -1 0 329.352 3.596 20 0 EHADRM C[C@H](NC(=O)N(C)C1CCCCCCC1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738966252 602173500 /nfs/dbraw/zinc/17/35/00/602173500.db2.gz YBTUHIRMPWSMPY-LSDHHAIUSA-N -1 0 339.480 3.519 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)COc1cccc2ccccc21 ZINC000740714667 602178708 /nfs/dbraw/zinc/17/87/08/602178708.db2.gz WUAKMZAJKUCXCE-UHFFFAOYSA-N -1 0 336.347 3.947 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2csc(Br)c2)c1 ZINC000577091406 602181826 /nfs/dbraw/zinc/18/18/26/602181826.db2.gz DGPHTMURDCZHTN-UHFFFAOYSA-N -1 0 332.200 3.523 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2ccn(-c3cccc(Cl)c3)n2)c1 ZINC000191382172 602187850 /nfs/dbraw/zinc/18/78/50/602187850.db2.gz KKRWZJUHUGUGKD-UHFFFAOYSA-N -1 0 347.783 3.538 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2ccc(OCC(F)(F)F)cc2)c1 ZINC000570026421 602188922 /nfs/dbraw/zinc/18/89/22/602188922.db2.gz BBZIFJAQAKRTSP-UHFFFAOYSA-N -1 0 345.298 3.640 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000740673541 602197259 /nfs/dbraw/zinc/19/72/59/602197259.db2.gz PQDMRSGHEPWLQB-UHFFFAOYSA-N -1 0 338.285 3.725 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)c1 ZINC000740674237 602199454 /nfs/dbraw/zinc/19/94/54/602199454.db2.gz OHCOEWJOOGAGNH-HOTGVXAUSA-N -1 0 344.798 3.850 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000740674491 602200501 /nfs/dbraw/zinc/20/05/01/602200501.db2.gz RMUUFBNFFLSUFU-RYUDHWBXSA-N -1 0 344.333 3.761 20 0 EHADRM CCc1cccc(CC)c1NC(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000739541006 602224156 /nfs/dbraw/zinc/22/41/56/602224156.db2.gz IFVAEGGSRHWJII-UHFFFAOYSA-N -1 0 326.396 3.831 20 0 EHADRM Cc1cc2ccccc2n1CC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000740096353 602241751 /nfs/dbraw/zinc/24/17/51/602241751.db2.gz RCRZOHZJRXSOQY-UHFFFAOYSA-N -1 0 349.390 3.629 20 0 EHADRM CC(C)c1nc(C(=O)Nc2ccccc2CN(C)C(=O)[O-])cs1 ZINC000738879595 602248408 /nfs/dbraw/zinc/24/84/08/602248408.db2.gz POLHFIORMVNRCL-UHFFFAOYSA-N -1 0 333.413 3.629 20 0 EHADRM C[C@@H](NC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)[O-] ZINC000832808851 602248742 /nfs/dbraw/zinc/24/87/42/602248742.db2.gz ZZKSBPGGJDKPMC-GFCCVEGCSA-N -1 0 349.471 3.509 20 0 EHADRM Cc1ccc(S[C@H](C(=O)N[C@H](C)C(=O)[O-])c2ccccc2)c(C)c1 ZINC000237336784 602251999 /nfs/dbraw/zinc/25/19/99/602251999.db2.gz SGASAZRCBSTUIX-PBHICJAKSA-N -1 0 343.448 3.726 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)c3nccc4ccccc43)ccc21 ZINC000740464880 602252952 /nfs/dbraw/zinc/25/29/52/602252952.db2.gz BPMSWZBAJJQHEU-UHFFFAOYSA-N -1 0 333.347 3.528 20 0 EHADRM CCC1(CNC(=O)Nc2ccc(OCCC(=O)[O-])cc2)CCCC1 ZINC000829065637 602277535 /nfs/dbraw/zinc/27/75/35/602277535.db2.gz XPGFONADPCSDDE-UHFFFAOYSA-N -1 0 334.416 3.632 20 0 EHADRM Cc1ccc(C)c(C(=O)CCC(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC000192917239 602283825 /nfs/dbraw/zinc/28/38/25/602283825.db2.gz BSDKYDBZLOMKRL-UHFFFAOYSA-N -1 0 331.393 3.665 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1cc(C(=O)[O-])cs1)c1nc(C)cs1 ZINC000828685597 602289546 /nfs/dbraw/zinc/28/95/46/602289546.db2.gz OJSOKIWVAKPIOY-CQSZACIVSA-N -1 0 339.442 3.658 20 0 EHADRM COc1ccccc1C(C)(C)NC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000832589456 602289998 /nfs/dbraw/zinc/28/99/98/602289998.db2.gz ORAZOKLAXLHLFM-UHFFFAOYSA-N -1 0 334.397 3.512 20 0 EHADRM CC[C@](C)(NC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)C(=O)[O-] ZINC000776619413 602295194 /nfs/dbraw/zinc/29/51/94/602295194.db2.gz YQXGPCMMJNHVKD-MSKHEQNASA-N -1 0 349.736 3.655 20 0 EHADRM Cc1sc(NC(=O)CNc2ccc(C(=O)[O-])c(F)c2)c(C)c1C ZINC000833036394 602302770 /nfs/dbraw/zinc/30/27/70/602302770.db2.gz KIPCRCSHYJRJEM-UHFFFAOYSA-N -1 0 336.388 3.561 20 0 EHADRM Cc1cc(C(=O)N2CCCc3c(C(=O)[O-])cccc32)ccc1Cl ZINC000322519407 602306584 /nfs/dbraw/zinc/30/65/84/602306584.db2.gz IXZQADSJSSOWJG-UHFFFAOYSA-N -1 0 329.783 3.940 20 0 EHADRM Cc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)ccc1Cl ZINC000192846855 602307779 /nfs/dbraw/zinc/30/77/79/602307779.db2.gz YPGBCRPBBCOODF-OAHLLOKOSA-N -1 0 335.762 3.733 20 0 EHADRM C[C@@H]1CC[C@H](CC(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)C1 ZINC000828221020 602312188 /nfs/dbraw/zinc/31/21/88/602312188.db2.gz GPAJICDMRFGRQF-ZJUUUORDSA-N -1 0 333.413 3.601 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1cccc(C(C)C)n1 ZINC000827046949 602348457 /nfs/dbraw/zinc/34/84/57/602348457.db2.gz BBDJGGIBSHFNHL-UHFFFAOYSA-N -1 0 342.395 3.943 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N(Cc2ccccc2)CC(F)F)cc1 ZINC000833318516 602351957 /nfs/dbraw/zinc/35/19/57/602351957.db2.gz HYHPWSYCUZWWJT-UHFFFAOYSA-N -1 0 334.322 3.684 20 0 EHADRM CC(C)N(CCCNC(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000738846141 602356704 /nfs/dbraw/zinc/35/67/04/602356704.db2.gz JTFUTXQXZAZJCR-UHFFFAOYSA-N -1 0 333.215 3.502 20 0 EHADRM Cc1ccc(OCCC(=O)Nc2ccc(C(=O)[O-])c(F)c2)c(C)c1 ZINC000325797300 602357007 /nfs/dbraw/zinc/35/70/07/602357007.db2.gz AHBXLRPYVJLTCV-UHFFFAOYSA-N -1 0 331.343 3.548 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)cc1F ZINC000767200135 602358284 /nfs/dbraw/zinc/35/82/84/602358284.db2.gz NVTBLNNHWRWIBD-GHMZBOCLSA-N -1 0 335.281 3.544 20 0 EHADRM CC(C)N(CCC(=O)Nc1ccc(-c2nccs2)cc1)C(=O)[O-] ZINC000738843120 602358482 /nfs/dbraw/zinc/35/84/82/602358482.db2.gz DXOZBXBEYXGTKH-UHFFFAOYSA-N -1 0 333.413 3.527 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000776645925 602358599 /nfs/dbraw/zinc/35/85/99/602358599.db2.gz FJTPKHPSIVSBCJ-NSHDSACASA-N -1 0 331.343 3.665 20 0 EHADRM CC(C)COc1cccc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000392351588 602360930 /nfs/dbraw/zinc/36/09/30/602360930.db2.gz IXJNLGCVURSNSU-UHFFFAOYSA-N -1 0 331.343 3.811 20 0 EHADRM C[C@H](NC(=O)Nc1cc(C(=O)[O-])n(C)c1)c1cccc2ccccc21 ZINC000827671431 602365011 /nfs/dbraw/zinc/36/50/11/602365011.db2.gz HOJYUDZITFCGSW-LBPRGKRZSA-N -1 0 337.379 3.759 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@@H](c2cccs2)C2CC2)cc1F ZINC000833153500 602369676 /nfs/dbraw/zinc/36/96/76/602369676.db2.gz IXCMUVZVFZMKAM-CQSZACIVSA-N -1 0 334.372 3.858 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000829025402 602369804 /nfs/dbraw/zinc/36/98/04/602369804.db2.gz CAEYICPJSVUZJP-HNNXBMFYSA-N -1 0 329.400 3.728 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Nc2ccccc2OCC2CC2)cc1F ZINC000833154554 602370874 /nfs/dbraw/zinc/37/08/74/602370874.db2.gz WXTFIIZRIYZVTC-UHFFFAOYSA-N -1 0 344.342 3.957 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCc2ccc(F)c(Cl)c2)cc1F ZINC000323069024 602379916 /nfs/dbraw/zinc/37/99/16/602379916.db2.gz NKOGGFSDKSHJQI-UHFFFAOYSA-N -1 0 340.713 3.638 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)[C@@H](NC(=O)[O-])c2ccccc2)c(C)s1 ZINC000740058799 602386995 /nfs/dbraw/zinc/38/69/95/602386995.db2.gz FINPWNJITJEPBM-ABAIWWIYSA-N -1 0 332.425 3.551 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000776647025 602394112 /nfs/dbraw/zinc/39/41/12/602394112.db2.gz XTJCISJMBATTAG-INIZCTEOSA-N -1 0 331.343 3.628 20 0 EHADRM CC(C)(C)n1nc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1C1CC1 ZINC000767207451 602395706 /nfs/dbraw/zinc/39/57/06/602395706.db2.gz ULJZRMLUWIERRE-UHFFFAOYSA-N -1 0 345.374 3.605 20 0 EHADRM CCSc1ccc(-c2nc([C@H](CC(C)C)NC(=O)[O-])no2)cn1 ZINC000739519406 602408124 /nfs/dbraw/zinc/40/81/24/602408124.db2.gz VXFQTCFKSLDKGN-NSHDSACASA-N -1 0 336.417 3.598 20 0 EHADRM O=C([O-])N[C@@H](CCc1nc(-c2cccc(F)c2)no1)c1ccccc1 ZINC000740539349 602415679 /nfs/dbraw/zinc/41/56/79/602415679.db2.gz IPYBPDKJMLCEGC-HNNXBMFYSA-N -1 0 341.342 3.817 20 0 EHADRM O=C([O-])NC1(c2noc(-c3ccc(F)c(C(F)(F)F)c3)n2)CCC1 ZINC000740547350 602417963 /nfs/dbraw/zinc/41/79/63/602417963.db2.gz FILQHDAKMJTSGO-UHFFFAOYSA-N -1 0 345.252 3.541 20 0 EHADRM CC(C)c1ccc([C@H](CNC(=O)N(C)[C@H](C)C2CC2)NC(=O)[O-])cc1 ZINC000738875423 602425171 /nfs/dbraw/zinc/42/51/71/602425171.db2.gz GPAJTEHCQJKCNX-DYVFJYSZSA-N -1 0 347.459 3.559 20 0 EHADRM CCC(CC)(CNC(=O)[O-])NC(=O)c1cc(SC)ccc1Cl ZINC000739251425 602443933 /nfs/dbraw/zinc/44/39/33/602443933.db2.gz CVIQMOOIPWNWFF-UHFFFAOYSA-N -1 0 344.864 3.618 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)CC[C@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000740114623 602457513 /nfs/dbraw/zinc/45/75/13/602457513.db2.gz SRQTZKGYNRNVNY-YJBOKZPZSA-N -1 0 340.423 3.961 20 0 EHADRM C[C@@H](c1ccco1)N(C)C(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000739061547 602458230 /nfs/dbraw/zinc/45/82/30/602458230.db2.gz WCZVYRZOFNQROQ-ZFWWWQNUSA-N -1 0 330.384 3.588 20 0 EHADRM CCOc1cccc(NC(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000739508536 602462186 /nfs/dbraw/zinc/46/21/86/602462186.db2.gz QZGJWGVKYCOBEJ-QGZVFWFLSA-N -1 0 342.395 3.813 20 0 EHADRM C[C@H](NC(=O)[O-])C1CCN(C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000739009133 602463944 /nfs/dbraw/zinc/46/39/44/602463944.db2.gz NHZQULWVNHCFJM-ZDUSSCGKSA-N -1 0 341.411 3.740 20 0 EHADRM CN(C(=O)CC[C@H](NC(=O)[O-])c1ccccc1)c1ccc(F)c(F)c1 ZINC000739574071 602464183 /nfs/dbraw/zinc/46/41/83/602464183.db2.gz NYUOOSZSEXPALY-INIZCTEOSA-N -1 0 348.349 3.717 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)N[C@@H](c2ccccc2)C2CCC2)cc1 ZINC000740672988 602475778 /nfs/dbraw/zinc/47/57/78/602475778.db2.gz AVIHUWXMYSQQGQ-SFHVURJKSA-N -1 0 338.407 3.725 20 0 EHADRM O=C([O-])NCCCC(=O)O[C@@H](c1cccc(Cl)c1)C(F)(F)F ZINC000739966934 602479652 /nfs/dbraw/zinc/47/96/52/602479652.db2.gz OMRQGDOWLSZSDH-NSHDSACASA-N -1 0 339.697 3.534 20 0 EHADRM CCc1ccc(CN(C)C(=O)c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000739541994 602481639 /nfs/dbraw/zinc/48/16/39/602481639.db2.gz KTVHJHJQVHNVAJ-UHFFFAOYSA-N -1 0 330.359 3.750 20 0 EHADRM CN(Cc1cccc(Cl)c1)C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739707756 602481704 /nfs/dbraw/zinc/48/17/04/602481704.db2.gz ZCGRNIHDGFCHOI-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM CC(C)Oc1ccc(NC(=O)c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000738864890 602484550 /nfs/dbraw/zinc/48/45/50/602484550.db2.gz POGAFBMNWIRGSF-UHFFFAOYSA-N -1 0 332.331 3.955 20 0 EHADRM O=C([O-])NC[C@@H](NC(=O)c1ccc(C(F)F)cc1)C1CCCCC1 ZINC000740614562 602485695 /nfs/dbraw/zinc/48/56/95/602485695.db2.gz WUPQLTZVTQNXPK-CQSZACIVSA-N -1 0 340.370 3.571 20 0 EHADRM COc1ccc(CN(C)C(=O)c2ccc(F)c(NC(=O)[O-])c2)cc1C ZINC000739909819 602488636 /nfs/dbraw/zinc/48/86/36/602488636.db2.gz RSKUDDMOJUSAGQ-UHFFFAOYSA-N -1 0 346.358 3.505 20 0 EHADRM Cc1csc(Nc2ccc(NC(=O)CCCN(C)C(=O)[O-])cc2)n1 ZINC000738820691 602499999 /nfs/dbraw/zinc/49/99/99/602499999.db2.gz IWSMPSIABWPRJC-UHFFFAOYSA-N -1 0 348.428 3.524 20 0 EHADRM Cc1ccnn1-c1ccc(C(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000740198016 602500769 /nfs/dbraw/zinc/50/07/69/602500769.db2.gz YRGSFBBERHXKMW-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)ccc1F ZINC000740698050 602509746 /nfs/dbraw/zinc/50/97/46/602509746.db2.gz KQEHNWUCFNDLKE-UHFFFAOYSA-N -1 0 340.314 3.558 20 0 EHADRM COc1ccccc1-c1cccc(NC(=O)CCCN(C)C(=O)[O-])c1 ZINC000738114009 602513056 /nfs/dbraw/zinc/51/30/56/602513056.db2.gz QGVJZGKPDAETSY-UHFFFAOYSA-N -1 0 342.395 3.691 20 0 EHADRM COc1ccccc1-c1cccc(NC(=O)[C@@H](NC(=O)[O-])C(C)C)c1 ZINC000738114021 602513233 /nfs/dbraw/zinc/51/32/33/602513233.db2.gz RHNQDCAZEAXBJI-KRWDZBQOSA-N -1 0 342.395 3.593 20 0 EHADRM COc1ccc(NC(=O)N[C@H](C)c2ccccc2)cc1NC(=O)[O-] ZINC000739922197 602559809 /nfs/dbraw/zinc/55/98/09/602559809.db2.gz RBBCJRAITOOQCG-LLVKDONJSA-N -1 0 329.356 3.668 20 0 EHADRM COc1ccc([C@H](C)C(=O)Nc2cc(NC(=O)[O-])ccc2F)cc1 ZINC000739897505 602567779 /nfs/dbraw/zinc/56/77/79/602567779.db2.gz WUMJRUGBNHVLMX-JTQLQIEISA-N -1 0 332.331 3.666 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)NCCCc2c[nH]c3ccccc23)c1 ZINC000740032342 602573379 /nfs/dbraw/zinc/57/33/79/602573379.db2.gz VVGUPNOJQYLYEI-UHFFFAOYSA-N -1 0 337.379 3.620 20 0 EHADRM Cc1cc(C)c(NC(=O)N2CCC[C@@H](N(C)C(=O)[O-])C2)c(Cl)c1 ZINC000740067250 602581874 /nfs/dbraw/zinc/58/18/74/602581874.db2.gz VUPRARXRZXCZJD-GFCCVEGCSA-N -1 0 339.823 3.563 20 0 EHADRM CCN(CC)c1ccc(C(=O)Nc2cccc(CNC(=O)[O-])c2)cc1 ZINC000739412007 602593028 /nfs/dbraw/zinc/59/30/28/602593028.db2.gz PJEGAEWKUUUSBG-UHFFFAOYSA-N -1 0 341.411 3.553 20 0 EHADRM CC(C)CCNC(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000738818929 602598194 /nfs/dbraw/zinc/59/81/94/602598194.db2.gz RTQTWJVJGVTVEZ-UHFFFAOYSA-N -1 0 333.310 3.963 20 0 EHADRM CC[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])C1 ZINC000739275142 602606854 /nfs/dbraw/zinc/60/68/54/602606854.db2.gz ZWPCMOAKGOQGHI-CYBMUJFWSA-N -1 0 331.416 3.771 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])o1 ZINC000740113231 602607315 /nfs/dbraw/zinc/60/73/15/602607315.db2.gz KBOHVXNYIDVLFM-LBPRGKRZSA-N -1 0 343.383 3.901 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)NCC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000740040896 602632714 /nfs/dbraw/zinc/63/27/14/602632714.db2.gz PPYNHQUGFLUCLK-AWEZNQCLSA-N -1 0 344.411 3.560 20 0 EHADRM O=C([O-])N1CCC[C@H](CCNC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000740424689 602633758 /nfs/dbraw/zinc/63/37/58/602633758.db2.gz MAKSRAKPRFIDNM-SNVBAGLBSA-N -1 0 345.226 3.503 20 0 EHADRM CC(=O)c1cccc(OC(=O)CC[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000738600614 602642573 /nfs/dbraw/zinc/64/25/73/602642573.db2.gz JCTAYYOCWWCGKZ-KRWDZBQOSA-N -1 0 341.363 3.584 20 0 EHADRM Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000740127092 602646541 /nfs/dbraw/zinc/64/65/41/602646541.db2.gz JEUKWNCPHHMRSX-UHFFFAOYSA-N -1 0 340.788 3.539 20 0 EHADRM COc1cc(NC(=O)[C@H](C)Cc2ccccc2)ccc1NC(=O)[O-] ZINC000739869485 602656958 /nfs/dbraw/zinc/65/69/58/602656958.db2.gz YGPFKAQSKYQYHJ-GFCCVEGCSA-N -1 0 328.368 3.602 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)c3ncoc3-c3ccccc3)ccc21 ZINC000740465818 602657016 /nfs/dbraw/zinc/65/70/16/602657016.db2.gz LJKYEDJSZYXZCK-UHFFFAOYSA-N -1 0 349.346 3.634 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)OC[C@@H]1CC1(Cl)Cl)c1ccccc1 ZINC000740540568 602657567 /nfs/dbraw/zinc/65/75/67/602657567.db2.gz RZXLPPCQTFCVTQ-RYUDHWBXSA-N -1 0 346.210 3.513 20 0 EHADRM CN(C[C@@H]1CCCN(c2cc3ccccc3c(Cl)n2)C1)C(=O)[O-] ZINC000739644056 602670264 /nfs/dbraw/zinc/67/02/64/602670264.db2.gz JQKRVBKYYYWCJZ-LBPRGKRZSA-N -1 0 333.819 3.714 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2ccc3[nH]c(C(F)F)nc3c2)cc1 ZINC000738665754 602681681 /nfs/dbraw/zinc/68/16/81/602681681.db2.gz BXZIUXVDTDYKTF-UHFFFAOYSA-N -1 0 346.293 3.843 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NCCCc2cccc(F)c2)cc1 ZINC000738664492 602752885 /nfs/dbraw/zinc/75/28/85/602752885.db2.gz GUGDRMSAJHSHTR-UHFFFAOYSA-N -1 0 331.347 3.670 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000739544579 602801883 /nfs/dbraw/zinc/80/18/83/602801883.db2.gz JLODLWMJGUEXNY-RVKKMQEKSA-N -1 0 346.471 3.637 20 0 EHADRM CCCC(=O)Nc1ccc(-c2csc(CN(C)C(=O)[O-])n2)cc1 ZINC000739284036 602810223 /nfs/dbraw/zinc/81/02/23/602810223.db2.gz TZZABCDZQWBERF-UHFFFAOYSA-N -1 0 333.413 3.659 20 0 EHADRM Cc1cc(-n2c(C)cc(-c3csc(CN(C)C(=O)[O-])n3)c2C)no1 ZINC000740047117 602810783 /nfs/dbraw/zinc/81/07/83/602810783.db2.gz BXVFFNAYLIDMFX-UHFFFAOYSA-N -1 0 346.412 3.624 20 0 EHADRM O=C([O-])NC[C@@H](C(=O)Nc1cccc(C(F)F)c1)c1ccccc1 ZINC000832414630 602811180 /nfs/dbraw/zinc/81/11/80/602811180.db2.gz JNLRHFVXFPTPOW-CQSZACIVSA-N -1 0 334.322 3.614 20 0 EHADRM CC(C)c1ccc([C@H](C)NC(=O)N2CC[C@H](NC(=O)[O-])[C@H](C)C2)cc1 ZINC000738879142 602812153 /nfs/dbraw/zinc/81/21/53/602812153.db2.gz TWELUHOFLATDRS-KEYYUXOJSA-N -1 0 347.459 3.559 20 0 EHADRM CC[C@H]1CN(C(=O)Cc2ccc(NC(=O)[O-])cc2)c2ccccc2O1 ZINC000739263216 602813305 /nfs/dbraw/zinc/81/33/05/602813305.db2.gz BQMNMHWLSCQUOX-HNNXBMFYSA-N -1 0 340.379 3.523 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N2CCC(NC(=O)[O-])CC2)cc1 ZINC000738877669 602823624 /nfs/dbraw/zinc/82/36/24/602823624.db2.gz OMCKGGFFYNPPCU-CQSZACIVSA-N -1 0 332.444 3.562 20 0 EHADRM Cc1cccc(N(C)C(=O)[C@@H](C)[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000830506282 602823820 /nfs/dbraw/zinc/82/38/20/602823820.db2.gz YHAVDMNCDBTCGO-YOEHRIQHSA-N -1 0 326.396 3.603 20 0 EHADRM CC(C)CC[C@H](NC(=O)N1CC[C@H](NC(=O)[O-])[C@H](C)C1)C(C)(C)C ZINC000738818370 602836510 /nfs/dbraw/zinc/83/65/10/602836510.db2.gz GPKCYRKSBXUBGY-ILXRZTDVSA-N -1 0 341.496 3.525 20 0 EHADRM CCC[C@H](CC1CCCCC1)C(=O)N1CCC(CNC(=O)[O-])CC1 ZINC000739308527 602846532 /nfs/dbraw/zinc/84/65/32/602846532.db2.gz XKARKZISDYHJDC-QGZVFWFLSA-N -1 0 338.492 3.879 20 0 EHADRM CC(C)c1ccc([C@H](CNC(=O)CCC(F)(F)F)NC(=O)[O-])cc1 ZINC000824465060 602850925 /nfs/dbraw/zinc/85/09/25/602850925.db2.gz YKAIEKMVTBKJDC-ZDUSSCGKSA-N -1 0 346.349 3.577 20 0 EHADRM C[C@@H]1C[C@@H]1c1cc(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)n[nH]1 ZINC000739082438 602855707 /nfs/dbraw/zinc/85/57/07/602855707.db2.gz MKSMRDZVBBQEHI-XCBNKYQSSA-N -1 0 334.763 3.529 20 0 EHADRM CCOc1ccc(OC)cc1NC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000827444593 602859842 /nfs/dbraw/zinc/85/98/42/602859842.db2.gz KGPGMISUOIMKDM-UHFFFAOYSA-N -1 0 344.367 3.745 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(C[C@H]2CCc3ccccc32)n1 ZINC000738814182 602868300 /nfs/dbraw/zinc/86/83/00/602868300.db2.gz AHXPXUVAQBAQTH-HIFRSBDPSA-N -1 0 329.400 3.697 20 0 EHADRM CC[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000736928717 602898990 /nfs/dbraw/zinc/89/89/90/602898990.db2.gz FAYNMRQOTMMYEO-HNNXBMFYSA-N -1 0 328.372 3.787 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)N3CCC4(CCCC4)CC3)ccc21 ZINC000740472444 602899396 /nfs/dbraw/zinc/89/93/96/602899396.db2.gz VOVNGVNZADFRBJ-UHFFFAOYSA-N -1 0 343.427 3.915 20 0 EHADRM CCCCc1ccc(NC(=O)N2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)cc1 ZINC000739340228 602908864 /nfs/dbraw/zinc/90/88/64/602908864.db2.gz BKOSUNJFFRPLGG-XJKSGUPXSA-N -1 0 333.432 3.539 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000740159127 602909721 /nfs/dbraw/zinc/90/97/21/602909721.db2.gz OBLWQBFCIXEZTP-UKRRQHHQSA-N -1 0 333.432 3.628 20 0 EHADRM C[C@H](OC(=O)CCC(C)(C)NC(=O)[O-])c1cnc2ccccc2c1 ZINC000739042275 602927448 /nfs/dbraw/zinc/92/74/48/602927448.db2.gz OIPIHPZTPUJOGF-LBPRGKRZSA-N -1 0 330.384 3.665 20 0 EHADRM Cc1cccc(CN(Cc2ccco2)C(=O)CC(C)(C)NC(=O)[O-])c1 ZINC000740169047 602950689 /nfs/dbraw/zinc/95/06/89/602950689.db2.gz FSWPPVYVVDDDQZ-UHFFFAOYSA-N -1 0 344.411 3.553 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)c2ccc(C)c(NC(=O)[O-])c2)o1 ZINC000830281459 602952918 /nfs/dbraw/zinc/95/29/18/602952918.db2.gz GVMUCOFNVXIHSQ-OAHLLOKOSA-N -1 0 328.368 3.964 20 0 EHADRM Cc1ccc2[nH]c(C(=O)Nc3cccc(CNC(=O)[O-])c3)cc2c1C ZINC000740159948 602958697 /nfs/dbraw/zinc/95/86/97/602958697.db2.gz QNNSZKWSAJIIML-UHFFFAOYSA-N -1 0 337.379 3.805 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000738668176 602961533 /nfs/dbraw/zinc/96/15/33/602961533.db2.gz XAYKMVJXYXUIHG-STQMWFEESA-N -1 0 333.290 3.764 20 0 EHADRM Cc1ccc(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)cc1NC(=O)[O-] ZINC000830217216 602961661 /nfs/dbraw/zinc/96/16/61/602961661.db2.gz SEXNRNKGGWGPMN-HOCLYGCPSA-N -1 0 348.443 3.656 20 0 EHADRM CS[C@@H](C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])c1ccccc1 ZINC000740002793 602981987 /nfs/dbraw/zinc/98/19/87/602981987.db2.gz SUKDZPZISDDQOD-MRXNPFEDSA-N -1 0 342.420 3.770 20 0 EHADRM CC[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])CC1 ZINC000739267950 602997429 /nfs/dbraw/zinc/99/74/29/602997429.db2.gz LENVIUMQUCNVDK-CYBMUJFWSA-N -1 0 331.416 3.771 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(-c2cc(Cl)nc(Cl)c2)n1 ZINC000738817686 603002346 /nfs/dbraw/zinc/00/23/46/603002346.db2.gz SKUOWSPQZXMGEM-QMMMGPOBSA-N -1 0 345.186 3.793 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2CCc3c(Cl)cccc3C2)c1 ZINC000740030470 603007025 /nfs/dbraw/zinc/00/70/25/603007025.db2.gz ZMWJCOPEJUEPSE-UHFFFAOYSA-N -1 0 330.771 3.628 20 0 EHADRM Cc1cccc(-c2noc(CNc3cc(NC(=O)[O-])ccc3F)n2)c1 ZINC000740155665 603020562 /nfs/dbraw/zinc/02/05/62/603020562.db2.gz JFLXMVJBKHVQOT-UHFFFAOYSA-N -1 0 342.330 3.886 20 0 EHADRM C[C@@H](SCc1ccccc1)c1nc([C@@H](C)CN(C)C(=O)[O-])no1 ZINC000738908802 603021455 /nfs/dbraw/zinc/02/14/55/603021455.db2.gz OSISCZOSFHEWRI-NWDGAFQWSA-N -1 0 335.429 3.777 20 0 EHADRM Cc1cccc2c1CCN(C(=O)Nc1cc(NC(=O)[O-])ccc1F)C2 ZINC000740178311 603034472 /nfs/dbraw/zinc/03/44/72/603034472.db2.gz BFCQGZBANAEKFV-UHFFFAOYSA-N -1 0 343.358 3.814 20 0 EHADRM COc1ccccc1CN(C)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739975229 603034656 /nfs/dbraw/zinc/03/46/56/603034656.db2.gz OGVIATXERVYFGQ-UHFFFAOYSA-N -1 0 347.346 3.588 20 0 EHADRM COc1cc(CNC(=O)Nc2cc(NC(=O)[O-])ccc2F)ccc1C ZINC000739862441 603039206 /nfs/dbraw/zinc/03/92/06/603039206.db2.gz JSGUIMTZCYVFKK-UHFFFAOYSA-N -1 0 347.346 3.554 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)c2sccc2OC(F)F)cc1 ZINC000827921771 603044303 /nfs/dbraw/zinc/04/43/03/603044303.db2.gz REIWOSAEIBSBMQ-UHFFFAOYSA-N -1 0 343.307 3.683 20 0 EHADRM Cc1cccc(C)c1OCCC(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000830493020 603044760 /nfs/dbraw/zinc/04/47/60/603044760.db2.gz MFAZXTBBQHFARD-UHFFFAOYSA-N -1 0 343.379 3.792 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Oc2ccc(N(C)C(=O)[O-])cc2)s1 ZINC000830177183 603047062 /nfs/dbraw/zinc/04/70/62/603047062.db2.gz XKTZQEANHDRUHH-UHFFFAOYSA-N -1 0 347.392 3.739 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NCc2ccccc2OC2CCC2)cc1 ZINC000738661291 603055454 /nfs/dbraw/zinc/05/54/54/603055454.db2.gz RRSSILGKRGIHFG-UHFFFAOYSA-N -1 0 340.379 3.638 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)CCC(C)(C)NC(=O)[O-])C1 ZINC000825853141 603061188 /nfs/dbraw/zinc/06/11/88/603061188.db2.gz UINNDUMRXCHGTK-WFASDCNBSA-N -1 0 336.407 3.562 20 0 EHADRM CC(C)N(CCC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F)C(=O)[O-] ZINC000825853112 603061354 /nfs/dbraw/zinc/06/13/54/603061354.db2.gz UBPSBAJWTWFYKY-CZUORRHYSA-N -1 0 336.407 3.514 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000736415806 603079845 /nfs/dbraw/zinc/07/98/45/603079845.db2.gz LZJXDUSMJUUZAR-KRWDZBQOSA-N -1 0 348.443 3.767 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@@H]2c2cccc(F)c2)cc1NC(=O)[O-] ZINC000830186521 603100497 /nfs/dbraw/zinc/10/04/97/603100497.db2.gz JFFPOQZKCUXXFC-MRXNPFEDSA-N -1 0 328.343 3.811 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)N2CCC[C@@]3(CC=CCC3)C2)cc1 ZINC000740701845 603133370 /nfs/dbraw/zinc/13/33/70/603133370.db2.gz NMUXCQJIVJUZRE-IBGZPJMESA-N -1 0 328.412 3.668 20 0 EHADRM CN(Cc1ccccc1NC(=O)NCCC1=CCCCC1)C(=O)[O-] ZINC000739716971 603142402 /nfs/dbraw/zinc/14/24/02/603142402.db2.gz IDWASGMDYXQTSQ-UHFFFAOYSA-N -1 0 331.416 3.808 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000740563249 603150500 /nfs/dbraw/zinc/15/05/00/603150500.db2.gz JMJPIZXGTAJYQF-BDAKNGLRSA-N -1 0 331.199 3.758 20 0 EHADRM C[C@@H](Oc1ccc(NC(=O)[O-])cc1)C(=O)NCc1ccc(Cl)cc1 ZINC000825617510 603157199 /nfs/dbraw/zinc/15/71/99/603157199.db2.gz QHZITMQSIFOYJD-LLVKDONJSA-N -1 0 348.786 3.514 20 0 EHADRM CSc1cccc(NC(=O)[C@H](C)Oc2ccc(NC(=O)[O-])cc2)c1 ZINC000829771685 603157207 /nfs/dbraw/zinc/15/72/07/603157207.db2.gz DWYFDFATSSFJCX-NSHDSACASA-N -1 0 346.408 3.904 20 0 EHADRM CC(C)N(C(=O)COc1ccc(N(C)C(=O)[O-])cc1)c1ccccc1 ZINC000824323857 603157859 /nfs/dbraw/zinc/15/78/59/603157859.db2.gz MMACPEWOVTZJLZ-UHFFFAOYSA-N -1 0 342.395 3.621 20 0 EHADRM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000738891197 603163367 /nfs/dbraw/zinc/16/33/67/603163367.db2.gz QLPHNDKLFVQBDE-JLSDUUJJSA-N -1 0 344.455 3.640 20 0 EHADRM COc1cc(NC(=O)C(C)(C)c2cccc(F)c2)ccc1NC(=O)[O-] ZINC000739866012 603169558 /nfs/dbraw/zinc/16/95/58/603169558.db2.gz MBMMUOYDYRJQNT-UHFFFAOYSA-N -1 0 346.358 3.841 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)[C@@H](C)Oc2cccc(F)c2)cc1 ZINC000825617507 603175155 /nfs/dbraw/zinc/17/51/55/603175155.db2.gz QGRTXBCIOABBHI-VXGBXAGGSA-N -1 0 346.358 3.560 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000740015547 603183250 /nfs/dbraw/zinc/18/32/50/603183250.db2.gz DFJLLQYTYGQDSA-MWLCHTKSSA-N -1 0 342.848 3.827 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000825422119 603193332 /nfs/dbraw/zinc/19/33/32/603193332.db2.gz FUYPAZLISIILLU-LBPRGKRZSA-N -1 0 337.379 3.678 20 0 EHADRM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)c1 ZINC000830522328 603194470 /nfs/dbraw/zinc/19/44/70/603194470.db2.gz PXMNZGHHQDUFDE-KGLIPLIRSA-N -1 0 342.395 3.730 20 0 EHADRM COc1cccc([C@H](C)C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)c1 ZINC000829543805 603195537 /nfs/dbraw/zinc/19/55/37/603195537.db2.gz PNKAVLLUFYOEJE-STQMWFEESA-N -1 0 342.395 3.766 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2ccc(F)c(F)c2)c(Cl)c1 ZINC000740700672 603201216 /nfs/dbraw/zinc/20/12/16/603201216.db2.gz YOXGUOQPNVKOFB-UHFFFAOYSA-N -1 0 326.686 3.960 20 0 EHADRM Cc1ccc(Oc2ccccc2NC(=O)[C@@H]2CCN(C(=O)[O-])C2)cc1 ZINC000740144125 603202895 /nfs/dbraw/zinc/20/28/95/603202895.db2.gz MHGQHOYVZGLUMH-CQSZACIVSA-N -1 0 340.379 3.726 20 0 EHADRM CC(C)(C)Oc1ccccc1NC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000738726311 603207435 /nfs/dbraw/zinc/20/74/35/603207435.db2.gz SWOLEOWSOKECAA-STQMWFEESA-N -1 0 334.416 3.629 20 0 EHADRM CC(C)c1nnc(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)s1 ZINC000738881576 603208988 /nfs/dbraw/zinc/20/89/88/603208988.db2.gz KYHIOQUNDQSLBI-UHFFFAOYSA-N -1 0 340.792 3.657 20 0 EHADRM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000739051709 603215458 /nfs/dbraw/zinc/21/54/58/603215458.db2.gz FASGQWQMCVVFIY-KOLCDFICSA-N -1 0 345.226 3.513 20 0 EHADRM CCSCc1cccc(NC(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)c1 ZINC000739515931 603217693 /nfs/dbraw/zinc/21/76/93/603217693.db2.gz CSWRRYARKPBNBI-ZFWWWQNUSA-N -1 0 336.457 3.705 20 0 EHADRM C[C@]1(c2ccccc2)C[C@H]1NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739070146 603227351 /nfs/dbraw/zinc/22/73/51/603227351.db2.gz GUQFZKRIFHBCLJ-CRAIPNDOSA-N -1 0 344.798 3.890 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CC2CCN(C(=O)[O-])CC2)o1 ZINC000830280853 603229896 /nfs/dbraw/zinc/22/98/96/603229896.db2.gz AWRCANLPMPCDIQ-BBRMVZONSA-N -1 0 348.443 3.668 20 0 EHADRM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CCCN(C)C(=O)[O-])o1 ZINC000827585077 603232928 /nfs/dbraw/zinc/23/29/28/603232928.db2.gz ZGEAXKPTVQNMKA-DZGCQCFKSA-N -1 0 336.432 3.532 20 0 EHADRM C[C@@H](c1ccncc1)N(C)C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739060988 603233108 /nfs/dbraw/zinc/23/31/08/603233108.db2.gz REOCGJCPTSNEFG-JTQLQIEISA-N -1 0 333.775 3.658 20 0 EHADRM CCc1nc(COC(=O)c2ccc(NC(=O)[O-])cc2Cl)cs1 ZINC000739559795 603243886 /nfs/dbraw/zinc/24/38/86/603243886.db2.gz KZEGBZZPTPWSHM-UHFFFAOYSA-N -1 0 340.788 3.806 20 0 EHADRM O=C([O-])NC[C@H]1CCC[C@@H]1NC(=O)Nc1cc(Cl)ccc1Cl ZINC000832475882 603245983 /nfs/dbraw/zinc/24/59/83/603245983.db2.gz QXDKOARGVIGIPR-KCJUWKMLSA-N -1 0 346.214 3.551 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NC/C=C/c2ccccc2)c(Cl)c1 ZINC000740698001 603249876 /nfs/dbraw/zinc/24/98/76/603249876.db2.gz IXZIJSVVBWDSJU-QPJJXVBHSA-N -1 0 330.771 3.873 20 0 EHADRM CSc1ccc(NC(=O)NC[C@@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000829766448 603263590 /nfs/dbraw/zinc/26/35/90/603263590.db2.gz IUFZRPPURAIYFF-OAHLLOKOSA-N -1 0 345.424 3.539 20 0 EHADRM CCN(CCc1ccccn1)C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739439279 603286762 /nfs/dbraw/zinc/28/67/62/603286762.db2.gz MWMHPRVBOYYCSS-UHFFFAOYSA-N -1 0 347.802 3.530 20 0 EHADRM CC(C)(NC(=O)c1ccc(F)c(NC(=O)[O-])c1)c1cccc(F)c1 ZINC000738757456 603292653 /nfs/dbraw/zinc/29/26/53/603292653.db2.gz JSELKDNXWBTJSY-UHFFFAOYSA-N -1 0 334.322 3.720 20 0 EHADRM Cc1nc(C(C)(C)NC(=O)c2ccc(NC(=O)[O-])cc2)sc1C ZINC000738351020 603294042 /nfs/dbraw/zinc/29/40/42/603294042.db2.gz XJVJPLSEUPZHBT-UHFFFAOYSA-N -1 0 333.413 3.515 20 0 EHADRM CC[C@@H]1CCCCN1C(=O)Nc1cccc2c1CCN(C(=O)[O-])C2 ZINC000739273694 603295374 /nfs/dbraw/zinc/29/53/74/603295374.db2.gz UYYSTGPVQQDRCQ-CQSZACIVSA-N -1 0 331.416 3.519 20 0 EHADRM C[C@H](CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1)NC(=O)[O-] ZINC000824615216 603297539 /nfs/dbraw/zinc/29/75/39/603297539.db2.gz RUWAMFRLRXKMEA-PXAZEXFGSA-N -1 0 346.814 3.592 20 0 EHADRM COc1ccc(NC(=O)[C@H](NC(=O)[O-])c2cccc(Cl)c2)c(C)c1 ZINC000739916141 603297835 /nfs/dbraw/zinc/29/78/35/603297835.db2.gz KVDWNYLZJSTQSG-OAHLLOKOSA-N -1 0 348.786 3.604 20 0 EHADRM Cc1ccoc1C(=O)N(c1ccccc1F)C1CCN(C(=O)[O-])CC1 ZINC000740196688 603300168 /nfs/dbraw/zinc/30/01/68/603300168.db2.gz MANXYEBKVLAPGF-UHFFFAOYSA-N -1 0 346.358 3.516 20 0 EHADRM COc1ccc(NC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)c(C)c1 ZINC000829469313 603303414 /nfs/dbraw/zinc/30/34/14/603303414.db2.gz LAMQDWJZDYUXPX-LBPRGKRZSA-N -1 0 343.383 3.976 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)[C@@H](CNC(=O)[O-])c2ccccc2)c(C)s1 ZINC000829979838 603312565 /nfs/dbraw/zinc/31/25/65/603312565.db2.gz IJOKQXLYSHHHMD-WBMJQRKESA-N -1 0 346.452 3.594 20 0 EHADRM CC[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739257980 603320215 /nfs/dbraw/zinc/32/02/15/603320215.db2.gz AAKMXQHLQXDHJQ-INIZCTEOSA-N -1 0 341.411 3.597 20 0 EHADRM CC[C@](C)(NC(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccccc1 ZINC000739220029 603321926 /nfs/dbraw/zinc/32/19/26/603321926.db2.gz UFLWIIIZLOURCZ-IBGZPJMESA-N -1 0 341.411 3.901 20 0 EHADRM CN(Cc1ccccc1NC(=O)N[C@H]1C[C@@H]1C1CCCCC1)C(=O)[O-] ZINC000828399592 603328017 /nfs/dbraw/zinc/32/80/17/603328017.db2.gz BYXCDWWTOIHBHS-WBVHZDCISA-N -1 0 345.443 3.887 20 0 EHADRM C[C@@H](CN(C)C(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccccc1 ZINC000738912076 603329875 /nfs/dbraw/zinc/32/98/75/603329875.db2.gz VHWNPYITBLCPJY-AWEZNQCLSA-N -1 0 341.411 3.722 20 0 EHADRM C[C@H](C(=O)N1CC[C@H]1c1ccccc1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823660373 603331122 /nfs/dbraw/zinc/33/11/22/603331122.db2.gz AEBXVYZAHMVJMR-JCGIZDLHSA-N -1 0 338.407 3.605 20 0 EHADRM CCc1ccc(CCNC(=O)Nc2cc(NC(=O)[O-])ccc2F)cc1 ZINC000739541444 603331965 /nfs/dbraw/zinc/33/19/65/603331965.db2.gz GXAGPFXEMOLSPX-UHFFFAOYSA-N -1 0 345.374 3.842 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N(C)Cc1ccsc1)C(=O)[O-] ZINC000739444657 603349579 /nfs/dbraw/zinc/34/95/79/603349579.db2.gz BHJSJMKIKSPHJI-UHFFFAOYSA-N -1 0 347.440 3.912 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N1CCCCC[C@H]1C)C(=O)[O-] ZINC000739445361 603353113 /nfs/dbraw/zinc/35/31/13/603353113.db2.gz FOIXHLSVJPFXMN-CQSZACIVSA-N -1 0 333.432 3.983 20 0 EHADRM CN(Cc1cccc(NC(=O)N2CCC[C@H]2c2ccco2)c1)C(=O)[O-] ZINC000739707239 603362943 /nfs/dbraw/zinc/36/29/43/603362943.db2.gz KSHXGUAFOHDNJB-HNNXBMFYSA-N -1 0 343.383 3.758 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N(C)Cc2cccs2)cc1 ZINC000825423713 603363268 /nfs/dbraw/zinc/36/32/68/603363268.db2.gz SXHGWLSXDSASQW-NSHDSACASA-N -1 0 333.413 3.741 20 0 EHADRM COCc1cccc(NC(=O)Nc2cccc(CN(C)C(=O)[O-])c2)c1 ZINC000739843857 603364082 /nfs/dbraw/zinc/36/40/82/603364082.db2.gz WDRRSNWIFISGRK-UHFFFAOYSA-N -1 0 343.383 3.587 20 0 EHADRM Cc1ccc(CN(C)C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1 ZINC000830303139 603365296 /nfs/dbraw/zinc/36/52/96/603365296.db2.gz VHJWFQKRTYGZQH-CQSZACIVSA-N -1 0 341.411 3.988 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N(C)[C@H](C)c2ccncc2)cc1 ZINC000825422854 603365490 /nfs/dbraw/zinc/36/54/90/603365490.db2.gz LODSAFADZRLRRG-CHWSQXEVSA-N -1 0 342.399 3.635 20 0 EHADRM CSCC[C@H](C)N(C)C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000829721892 603375459 /nfs/dbraw/zinc/37/54/59/603375459.db2.gz GIZNJLPGPBJCJA-RYUDHWBXSA-N -1 0 339.461 3.621 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N[C@@H](C)Cc2ccsc2)cc1 ZINC000825030425 603376007 /nfs/dbraw/zinc/37/60/07/603376007.db2.gz KFYOOEVYNLCJDP-NWDGAFQWSA-N -1 0 347.440 3.829 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N(C)Cc2cccc(F)c2)cc1 ZINC000825423929 603377904 /nfs/dbraw/zinc/37/79/04/603377904.db2.gz XBHWCURRPLFYJM-GFCCVEGCSA-N -1 0 345.374 3.818 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000740714662 603382512 /nfs/dbraw/zinc/38/25/12/603382512.db2.gz WOWOZLWVHKFNPH-UHFFFAOYSA-N -1 0 327.315 3.578 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)NC(C)(C)c2nccs2)cc1 ZINC000825426597 603387436 /nfs/dbraw/zinc/38/74/36/603387436.db2.gz HEJINDSPXJMIMP-SNVBAGLBSA-N -1 0 348.428 3.529 20 0 EHADRM Cc1noc(C)c1[C@H](C)NC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000830904108 603387502 /nfs/dbraw/zinc/38/75/02/603387502.db2.gz KFELTHXPANJAKD-UWVGGRQHSA-N -1 0 346.387 3.503 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(-c2cnc3ccsc3c2)n1 ZINC000824219624 603415663 /nfs/dbraw/zinc/41/56/63/603415663.db2.gz VVDUIULOYKIEFL-LLVKDONJSA-N -1 0 332.385 3.701 20 0 EHADRM O=C([O-])NC1(c2noc(-c3ccc(OC4CCC4)cc3)n2)CCCC1 ZINC000832222499 603418003 /nfs/dbraw/zinc/41/80/03/603418003.db2.gz AHLRVVWASJXBEY-UHFFFAOYSA-N -1 0 343.383 3.705 20 0 EHADRM Cc1c(CSC(C)C)cccc1NC(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000740052303 603433897 /nfs/dbraw/zinc/43/38/97/603433897.db2.gz KUXXIEFXZRNHDO-ZDUSSCGKSA-N -1 0 336.457 3.575 20 0 EHADRM Cc1ccc(F)c(NC(=O)N2CCC(N(CC3CC3)C(=O)[O-])CC2)c1 ZINC000830328827 603451201 /nfs/dbraw/zinc/45/12/01/603451201.db2.gz JULLMIWCFXAOTL-UHFFFAOYSA-N -1 0 349.406 3.520 20 0 EHADRM Cc1cccc(C)c1NC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000738695143 603463005 /nfs/dbraw/zinc/46/30/05/603463005.db2.gz ISSBPCRQTSAMTK-UHFFFAOYSA-N -1 0 327.384 3.758 20 0 EHADRM CCCCOc1ccc(C(=O)N(C)C2CCC(NC(=O)[O-])CC2)cc1 ZINC000826842112 603468561 /nfs/dbraw/zinc/46/85/61/603468561.db2.gz JBVLTPZXOFVXMP-UHFFFAOYSA-N -1 0 348.443 3.516 20 0 EHADRM CCN(CC1CCN(Cc2csc(-c3ccco3)n2)CC1)C(=O)[O-] ZINC000827100291 603509098 /nfs/dbraw/zinc/50/90/98/603509098.db2.gz WMIOGZSCGZBPTN-UHFFFAOYSA-N -1 0 349.456 3.615 20 0 EHADRM Cc1ccc(C(=O)N2CCC[C@H]2c2ccc(O)cc2)cc1NC(=O)[O-] ZINC000830192747 603510760 /nfs/dbraw/zinc/51/07/60/603510760.db2.gz OIOXOPVYNOOQRE-KRWDZBQOSA-N -1 0 340.379 3.768 20 0 EHADRM CCN(CC1CCN(Cc2cc(-c3cccs3)on2)CC1)C(=O)[O-] ZINC000827100268 603516117 /nfs/dbraw/zinc/51/61/17/603516117.db2.gz VNNJVAHLDJPOFY-UHFFFAOYSA-N -1 0 349.456 3.615 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000829867246 603518168 /nfs/dbraw/zinc/51/81/68/603518168.db2.gz KPEYQBVWEPISEZ-OAHLLOKOSA-N -1 0 348.443 3.781 20 0 EHADRM CCOc1ccc(NCc2ccc(NC(=O)[O-])nc2)cc1OCC ZINC000827443944 603539150 /nfs/dbraw/zinc/53/91/50/603539150.db2.gz ATDLWGLUPOOQNW-UHFFFAOYSA-N -1 0 331.372 3.581 20 0 EHADRM CC(C)(C)Sc1ccc(NC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)cc1 ZINC000823839431 603554360 /nfs/dbraw/zinc/55/43/60/603554360.db2.gz WNHTYWZHKXDKON-AAEUAGOBSA-N -1 0 336.457 3.952 20 0 EHADRM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(NC(=O)[O-])cc1O ZINC000825778339 603558480 /nfs/dbraw/zinc/55/84/80/603558480.db2.gz LTHWKHSYSDIWMH-IUODEOHRSA-N -1 0 340.379 3.500 20 0 EHADRM O=C([O-])N1CC(CC(=O)N2CCC[C@@H]2c2cccc3ccccc32)C1 ZINC000831842352 603568512 /nfs/dbraw/zinc/56/85/12/603568512.db2.gz XREYSMYIJZMOHA-GOSISDBHSA-N -1 0 338.407 3.503 20 0 EHADRM CC(C)[C@H](C)N(C(=O)NCCc1ccc(NC(=O)[O-])cc1)C1CC1 ZINC000824070284 603572092 /nfs/dbraw/zinc/57/20/92/603572092.db2.gz AKFIKEIKBQENOO-ZDUSSCGKSA-N -1 0 333.432 3.538 20 0 EHADRM COc1ccc(NC(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)cc1NC(=O)[O-] ZINC000829458860 603581655 /nfs/dbraw/zinc/58/16/55/603581655.db2.gz BLBGCQDKBGPHNX-TYNCELHUSA-N -1 0 347.415 3.970 20 0 EHADRM Cc1ncc(C=Cc2nc(-c3cccc(NC(=O)[O-])c3)no2)s1 ZINC000830809215 603643150 /nfs/dbraw/zinc/64/31/50/603643150.db2.gz MTSAKEIZRNKZQH-WAYWQWQTSA-N -1 0 328.353 3.762 20 0 EHADRM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000825638228 603661034 /nfs/dbraw/zinc/66/10/34/603661034.db2.gz LHLFNYVPKIONOQ-OLMNPRSZSA-N -1 0 344.455 3.813 20 0 EHADRM CC(C)(CCC(=O)Nc1ccccc1CCC(F)(F)F)NC(=O)[O-] ZINC000823890390 603726571 /nfs/dbraw/zinc/72/65/71/603726571.db2.gz RDBXRMKBJKSPNT-UHFFFAOYSA-N -1 0 346.349 3.946 20 0 EHADRM CCC(CC)(CNC(=O)c1ccc(Cl)cc1Cl)NC(=O)[O-] ZINC000826552166 603728711 /nfs/dbraw/zinc/72/87/11/603728711.db2.gz BFVFUYYORMSJDZ-UHFFFAOYSA-N -1 0 333.215 3.550 20 0 EHADRM C[C@@H](NC(=O)[C@H](C)Oc1ccc(NC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000825616472 603780202 /nfs/dbraw/zinc/78/02/02/603780202.db2.gz DOJWBOGZABFJPY-NEPJUHHUSA-N -1 0 346.358 3.560 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(NC(=O)[O-])cc2C(F)(F)F)C[C@H]1C ZINC000826015088 603805342 /nfs/dbraw/zinc/80/53/42/603805342.db2.gz QFCVNIYUTATNFY-RKDXNWHRSA-N -1 0 345.321 3.915 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(NC(=O)[O-])cc2C(F)(F)F)C[C@H]1C ZINC000826015086 603805416 /nfs/dbraw/zinc/80/54/16/603805416.db2.gz QFCVNIYUTATNFY-DTORHVGOSA-N -1 0 345.321 3.915 20 0 EHADRM Cc1cccc(NC(=S)N(C)CC[C@@H](NC(=O)[O-])C(C)C)c1C ZINC000830521601 603831585 /nfs/dbraw/zinc/83/15/85/603831585.db2.gz KDJATZMHLYZHSU-CQSZACIVSA-N -1 0 337.489 3.614 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CNCc2cccc3c2N(C(=O)[O-])CC3)o1 ZINC000825858945 603851890 /nfs/dbraw/zinc/85/18/90/603851890.db2.gz DGZNOGZLXNJPHI-BLLLJJGKSA-N -1 0 326.396 3.733 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)OCc2cccc(Cl)n2)c(Cl)c1 ZINC000832838420 603854270 /nfs/dbraw/zinc/85/42/70/603854270.db2.gz JFMMNYPOGOPURC-UHFFFAOYSA-N -1 0 341.150 3.835 20 0 EHADRM CCc1oc(C(=O)OC)cc1CNc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000827679404 603868228 /nfs/dbraw/zinc/86/82/28/603868228.db2.gz DBWGDRSARDUWIP-LLVKDONJSA-N -1 0 346.383 3.569 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)Cc2coc3cc(F)ccc23)c1 ZINC000832724732 603891730 /nfs/dbraw/zinc/89/17/30/603891730.db2.gz MDEXROQBHIJSQD-UHFFFAOYSA-N -1 0 342.326 3.521 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)Nc1ncc(Cl)s1)c1ccccc1 ZINC000832118955 603922259 /nfs/dbraw/zinc/92/22/59/603922259.db2.gz FRDXSKFRZWISPL-JTQLQIEISA-N -1 0 339.804 3.524 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)N(Cc2ccccc2)c2ccccc2)C1 ZINC000832240319 603953811 /nfs/dbraw/zinc/95/38/11/603953811.db2.gz VRGCAFQXPPUHMK-DLBZAZTESA-N -1 0 338.407 3.656 20 0 EHADRM COc1ccc(NC(=O)N(C2CC2)C2CCCC2)cc1NC(=O)[O-] ZINC000829461057 604010229 /nfs/dbraw/zinc/01/02/29/604010229.db2.gz TVUSHZJLQLMUCJ-UHFFFAOYSA-N -1 0 333.388 3.724 20 0 EHADRM Cc1ccc(NC(=O)[O-])c(OCc2nc([C@H](C)OCC(C)C)no2)c1 ZINC000830390397 604049511 /nfs/dbraw/zinc/04/95/11/604049511.db2.gz PPTXEBUHYJJEDI-LBPRGKRZSA-N -1 0 349.387 3.781 20 0 EHADRM CCS[C@H]1CCC[C@H](NC(=O)c2ccc(C)c(NC(=O)[O-])c2)C1 ZINC000827495734 604059506 /nfs/dbraw/zinc/05/95/06/604059506.db2.gz MCVMDOJNZJUFIC-KBPBESRZSA-N -1 0 336.457 3.879 20 0 EHADRM CC(C)c1cccc(NC(=O)N2CCC[C@H]([C@H](C)NC(=O)[O-])C2)c1 ZINC000824471084 604067127 /nfs/dbraw/zinc/06/71/27/604067127.db2.gz XHDOBQTXHKPQFL-ZFWWWQNUSA-N -1 0 333.432 3.710 20 0 EHADRM CCCc1ccccc1NC(=O)N1CCC[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000826954283 604071770 /nfs/dbraw/zinc/07/17/70/604071770.db2.gz PNWFCZRLQYEJRO-HIFRSBDPSA-N -1 0 333.432 3.539 20 0 EHADRM COc1cc(NC(=O)N2CCC[C@H]3CCC[C@H]32)ccc1NC(=O)[O-] ZINC000829159665 604134895 /nfs/dbraw/zinc/13/48/95/604134895.db2.gz XADMRQROVCMNTR-BXUZGUMPSA-N -1 0 333.388 3.582 20 0 EHADRM CC(C)CN(C(=O)Nc1cccc(CNC(=O)[O-])c1)C1CCCC1 ZINC000824252156 604136646 /nfs/dbraw/zinc/13/66/46/604136646.db2.gz UKPMBWYYIZIKRJ-UHFFFAOYSA-N -1 0 333.432 3.887 20 0 EHADRM Cc1cnc([C@@H](C)NC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)s1 ZINC000830625928 604148627 /nfs/dbraw/zinc/14/86/27/604148627.db2.gz WKLBXLUYBNWXMD-GHMZBOCLSA-N -1 0 348.428 3.663 20 0 EHADRM Cc1cccc(NC(=O)N(C)C2CCC(NC(=O)[O-])CC2)c1Cl ZINC000830516791 604150611 /nfs/dbraw/zinc/15/06/11/604150611.db2.gz MHPXSITWTQRHBS-UHFFFAOYSA-N -1 0 339.823 3.691 20 0 EHADRM C[C@@H](OC(=O)CC1(NC(=O)[O-])CCC1)c1ncc(-c2ccccc2)o1 ZINC000825579458 604237916 /nfs/dbraw/zinc/23/79/16/604237916.db2.gz MIYQDBSQYGCUID-GFCCVEGCSA-N -1 0 344.367 3.526 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2cnc3ccccc3n2)c(Cl)c1 ZINC000832839124 604241317 /nfs/dbraw/zinc/24/13/17/604241317.db2.gz RVKLPRAVIIFXSW-UHFFFAOYSA-N -1 0 342.742 3.625 20 0 EHADRM C[C@H](OC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)c1ccc(F)c(Cl)c1 ZINC000825553594 604241681 /nfs/dbraw/zinc/24/16/81/604241681.db2.gz YZDYWVAPHYBQTG-JMJZKYOTSA-N -1 0 329.755 3.520 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000829845729 604244745 /nfs/dbraw/zinc/24/47/45/604244745.db2.gz TVTLNKRNCNGLLQ-UONOGXRCSA-N -1 0 344.411 3.558 20 0 EHADRM C[C@H](CC(=O)NCCc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000736540630 604254715 /nfs/dbraw/zinc/25/47/15/604254715.db2.gz ADACXCDEXKEWIJ-CQSZACIVSA-N -1 0 326.396 3.629 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H](c2ccccc2)C2CCC2)cc1F ZINC000833128059 604279646 /nfs/dbraw/zinc/27/96/46/604279646.db2.gz RGCVMWSCZGGTDG-KRWDZBQOSA-N -1 0 327.355 3.795 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000832847476 604281330 /nfs/dbraw/zinc/28/13/30/604281330.db2.gz QWPCDDVKYSLFDU-UHFFFAOYSA-N -1 0 339.351 3.601 20 0 EHADRM CCN(C(=O)c1ccc(C(=O)[O-])c(F)c1)[C@H](C)c1cccc(OC)c1 ZINC000829602691 604283038 /nfs/dbraw/zinc/28/30/38/604283038.db2.gz VQWSFSHSSJFCPA-GFCCVEGCSA-N -1 0 345.370 3.756 20 0 EHADRM Cc1ccc([C@H]2CCCCN2C(=O)c2ccc(C(=O)[O-])c(F)c2)o1 ZINC000832929438 604288580 /nfs/dbraw/zinc/28/85/80/604288580.db2.gz LWLBRQKMNFMASC-OAHLLOKOSA-N -1 0 331.343 3.793 20 0 EHADRM C[C@H](CC(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-])c1ccncc1 ZINC000824696626 604294820 /nfs/dbraw/zinc/29/48/20/604294820.db2.gz VHGJGNRYHVLJGC-CYBMUJFWSA-N -1 0 339.395 3.645 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc(-c2ccco2)s1)c1cccc(F)c1 ZINC000833245825 604302329 /nfs/dbraw/zinc/30/23/29/604302329.db2.gz RYIIELDRHOVHQU-UHFFFAOYSA-N -1 0 345.351 3.879 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(-c2ccco2)s1)c1ccccc1F ZINC000833124575 604310760 /nfs/dbraw/zinc/31/07/60/604310760.db2.gz KUGKEMXNKPNJNT-HNNXBMFYSA-N -1 0 345.351 3.703 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000738320586 604319284 /nfs/dbraw/zinc/31/92/84/604319284.db2.gz JEVRYMUEGXIEEK-SWLSCSKDSA-N -1 0 340.423 3.656 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)Nc2cccc(C(=O)[O-])c2C)n1 ZINC000832967520 604322785 /nfs/dbraw/zinc/32/27/85/604322785.db2.gz GQAPQNJBOUEJQC-QGZVFWFLSA-N -1 0 339.395 3.766 20 0 EHADRM CC/C(=C\C(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccc(C)cc1 ZINC000828549797 604344446 /nfs/dbraw/zinc/34/44/46/604344446.db2.gz QSLOZLZRUPBFMP-JLHYYAGUSA-N -1 0 344.436 3.901 20 0 EHADRM Cc1cc([C@H](C)N2C[C@@H](C)O[C@H](c3ccccc3)C2)oc1C(=O)[O-] ZINC000516932721 604383584 /nfs/dbraw/zinc/38/35/84/604383584.db2.gz ZYAGWJIIENLOOS-KEYYUXOJSA-N -1 0 329.396 3.809 20 0 EHADRM C[C@H](CC(=O)N1CC[C@H]1c1cccc(F)c1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824572841 604384853 /nfs/dbraw/zinc/38/48/53/604384853.db2.gz QICUODONOHXZPD-UNEWFSDZSA-N -1 0 348.418 3.515 20 0 EHADRM Cc1cccc(-c2cncc(C(=O)N3CCCC[C@H]3CC(=O)[O-])c2)c1 ZINC000683325069 604388305 /nfs/dbraw/zinc/38/83/05/604388305.db2.gz LOLYPXPLIDUFTG-SFHVURJKSA-N -1 0 338.407 3.526 20 0 EHADRM Cc1nc(CC(=O)Nc2scc(C3CC3)c2C(=O)[O-])c(C)s1 ZINC000832998689 604392431 /nfs/dbraw/zinc/39/24/31/604392431.db2.gz MMJFNLWUXXHXML-UHFFFAOYSA-N -1 0 336.438 3.578 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000826632481 604427202 /nfs/dbraw/zinc/42/72/02/604427202.db2.gz RZYBMYHCTSVBOM-HNNXBMFYSA-N -1 0 338.379 3.982 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccc(OC)cc1F ZINC000829026575 604429390 /nfs/dbraw/zinc/42/93/90/604429390.db2.gz JNQKYTVUVQMRFW-QGZVFWFLSA-N -1 0 345.370 3.512 20 0 EHADRM CCC(CC)n1ccc(C(=O)OCc2cc(C(=O)[O-])sc2C)n1 ZINC000828869948 604434457 /nfs/dbraw/zinc/43/44/57/604434457.db2.gz HTCFFEHSVJIJBT-UHFFFAOYSA-N -1 0 336.413 3.669 20 0 EHADRM CC1(C)C[C@H](NC(=O)CCc2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC000828055979 604451476 /nfs/dbraw/zinc/45/14/76/604451476.db2.gz LCPTVMMDTLOAHZ-SFHVURJKSA-N -1 0 337.419 3.856 20 0 EHADRM C[C@@H](NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])c1cccs1 ZINC000827659227 604454750 /nfs/dbraw/zinc/45/47/50/604454750.db2.gz OMGODYPSSCECNX-IUODEOHRSA-N -1 0 346.452 3.960 20 0 EHADRM O=C([O-])c1csc(NC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000833151886 604495398 /nfs/dbraw/zinc/49/53/98/604495398.db2.gz UNGBNXLNQTZUBO-RKDXNWHRSA-N -1 0 336.335 3.689 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)OC1CCC(CC(=O)[O-])CC1 ZINC000833546489 604498332 /nfs/dbraw/zinc/49/83/32/604498332.db2.gz SZBDLEIBBXNHHY-VQCLRJIVSA-N -1 0 336.453 3.885 20 0 EHADRM COc1ccccc1CN(C(=O)Nc1cc(C(=O)[O-])cs1)C1CC1 ZINC000832612825 604500215 /nfs/dbraw/zinc/50/02/15/604500215.db2.gz DZNOTWOESHTZLO-UHFFFAOYSA-N -1 0 346.408 3.651 20 0 EHADRM CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000829033612 604518133 /nfs/dbraw/zinc/51/81/33/604518133.db2.gz QXLHAIKIAKGPCS-ZDUSSCGKSA-N -1 0 333.413 3.846 20 0 EHADRM CN(Cc1ccccc1)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000830852339 604518754 /nfs/dbraw/zinc/51/87/54/604518754.db2.gz QCQRVEBVRDHDIO-QGZVFWFLSA-N -1 0 340.423 3.680 20 0 EHADRM O=C([O-])c1csc(NC(=O)N2CCC[C@H](Oc3ccccc3)C2)c1 ZINC000833342403 604520199 /nfs/dbraw/zinc/52/01/99/604520199.db2.gz KTAWKPCJXPSZMM-AWEZNQCLSA-N -1 0 346.408 3.522 20 0 EHADRM C[C@@H]1CCCN(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])CC1 ZINC000828265682 604532243 /nfs/dbraw/zinc/53/22/43/604532243.db2.gz GONVPQNYUUJSHN-GDBMZVCRSA-N -1 0 332.444 3.670 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)Nc2cccc(F)c2F)cc1 ZINC000825388645 604545338 /nfs/dbraw/zinc/54/53/38/604545338.db2.gz IBKIVRVJOCUXRB-JTQLQIEISA-N -1 0 349.337 3.615 20 0 EHADRM C[C@H](C(=O)NCCc1cccc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC000539677428 604547488 /nfs/dbraw/zinc/54/74/88/604547488.db2.gz DLMXMPWKOPJKPE-LBPRGKRZSA-N -1 0 331.799 3.501 20 0 EHADRM Cc1cc([C@H](C)OC(=O)[C@H](C)Oc2cccc(C)c2)oc1C(=O)[O-] ZINC000832973306 604555172 /nfs/dbraw/zinc/55/51/72/604555172.db2.gz VBORUSVHAFXMSO-STQMWFEESA-N -1 0 332.352 3.666 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)N2CCC[C@@H]2CC(=O)[O-])cc1 ZINC000263059648 604566868 /nfs/dbraw/zinc/56/68/68/604566868.db2.gz XCLVXKJKPGDMQU-CQSZACIVSA-N -1 0 329.421 3.803 20 0 EHADRM CCO[C@H](C(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1)c1ccccc1 ZINC000829901186 604571314 /nfs/dbraw/zinc/57/13/14/604571314.db2.gz JEPDYGPKPCXJPG-WBMJQRKESA-N -1 0 332.352 3.668 20 0 EHADRM CC(=O)C(C)(C)CCC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833387516 604572732 /nfs/dbraw/zinc/57/27/32/604572732.db2.gz FWSXYZFTDSNUHI-UHFFFAOYSA-N -1 0 337.441 3.587 20 0 EHADRM Cc1cc([C@H](C)OC(=O)Cc2c[nH]c3cccc(C)c23)oc1C(=O)[O-] ZINC000832870719 604581271 /nfs/dbraw/zinc/58/12/71/604581271.db2.gz CLQKQNYBNLWUML-LBPRGKRZSA-N -1 0 341.363 3.923 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2sccc2OC(F)F)oc1C(=O)[O-] ZINC000832873175 604581293 /nfs/dbraw/zinc/58/12/93/604581293.db2.gz HEXOXKIBMXCZCY-ZETCQYMHSA-N -1 0 346.307 3.867 20 0 EHADRM CS[C@@H](C(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1)c1ccccc1 ZINC000832736365 604589214 /nfs/dbraw/zinc/58/92/14/604589214.db2.gz UJMDTNAPUYEHCX-XHDPSFHLSA-N -1 0 334.393 3.995 20 0 EHADRM CC(C)N(CC(=O)[O-])Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000563284132 604614052 /nfs/dbraw/zinc/61/40/52/604614052.db2.gz RPRDYQBJBZHTGG-UHFFFAOYSA-N -1 0 342.317 3.655 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)Nc1ccccc1N1CCCCCC1 ZINC000833214208 604616681 /nfs/dbraw/zinc/61/66/81/604616681.db2.gz RAXFSYAJYWPMDG-HNNXBMFYSA-N -1 0 345.443 3.538 20 0 EHADRM C[C@@H](C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-])C1CCOCC1 ZINC000833410241 604621001 /nfs/dbraw/zinc/62/10/01/604621001.db2.gz BGEWQOVVYAAPIQ-SNVBAGLBSA-N -1 0 339.457 3.745 20 0 EHADRM C[C@@H](Oc1ccc(CN2CCCC[C@H]2c2nccs2)cc1)C(=O)[O-] ZINC000833541900 604622445 /nfs/dbraw/zinc/62/24/45/604622445.db2.gz PFAPMQWMNBEBBL-CJNGLKHVSA-N -1 0 346.452 3.722 20 0 EHADRM C[C@H](CN(C)c1ncnc2sc(-c3ccccc3)cc21)C(=O)[O-] ZINC000827442169 604624876 /nfs/dbraw/zinc/62/48/76/604624876.db2.gz CMAUOBGQVCVSEE-LLVKDONJSA-N -1 0 327.409 3.515 20 0 EHADRM CCCn1ccc2cc(NC(=O)N3CCC[C@@H]3CC(=O)[O-])ccc21 ZINC000829585298 604628167 /nfs/dbraw/zinc/62/81/67/604628167.db2.gz MRACJPWPZIDPCA-OAHLLOKOSA-N -1 0 329.400 3.522 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cccc(-c2c(F)cccc2F)c1)C1CC1 ZINC000833773572 604643446 /nfs/dbraw/zinc/64/34/46/604643446.db2.gz XUEYOMHHBQIKNZ-MRXNPFEDSA-N -1 0 345.345 3.615 20 0 EHADRM Cc1cc(NCc2nc(-c3ccc(F)c(F)c3)no2)ccc1C(=O)[O-] ZINC000832898721 604643399 /nfs/dbraw/zinc/64/33/99/604643399.db2.gz RIGUQPWFMFHOTD-UHFFFAOYSA-N -1 0 345.305 3.634 20 0 EHADRM Cc1ccn(-c2ccccc2CNc2nc(Cl)c(C(=O)[O-])s2)n1 ZINC000832982715 604643654 /nfs/dbraw/zinc/64/36/54/604643654.db2.gz RBXUUYCTJQGMAS-UHFFFAOYSA-N -1 0 348.815 3.601 20 0 EHADRM Cc1cc(COc2c(Cl)cc(Cl)c(Cl)c2C(=O)[O-])nn1C ZINC000832885749 604650116 /nfs/dbraw/zinc/65/01/16/604650116.db2.gz YJCFOVGGWHAPTL-UHFFFAOYSA-N -1 0 349.601 3.966 20 0 EHADRM C[C@@H](OC(=O)c1ccccc1S[C@@H](C)C(=O)[O-])c1ccncc1 ZINC000833544240 604655538 /nfs/dbraw/zinc/65/55/38/604655538.db2.gz DCFGWHUYQRWNFZ-NEPJUHHUSA-N -1 0 331.393 3.565 20 0 EHADRM C[C@H](c1ccc(F)cc1)N(C)C(=O)CCc1ccccc1C(=O)[O-] ZINC000262252252 604671802 /nfs/dbraw/zinc/67/18/02/604671802.db2.gz VOUYOPISKDPGQU-CYBMUJFWSA-N -1 0 329.371 3.676 20 0 EHADRM O=C([O-])c1cc(CN2CCCC[C@H]2c2nc3ccccc3o2)c[nH]1 ZINC000833779182 604681747 /nfs/dbraw/zinc/68/17/47/604681747.db2.gz KDBGINLPHLAIDQ-HNNXBMFYSA-N -1 0 325.368 3.581 20 0 EHADRM CC(C)Oc1ccccc1[C@@H](C)NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000539677472 604709604 /nfs/dbraw/zinc/70/96/04/604709604.db2.gz AUACAJQOSKKESK-CQSZACIVSA-N -1 0 341.407 3.592 20 0 EHADRM CC(C)c1ccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cn1 ZINC000827113047 604711648 /nfs/dbraw/zinc/71/16/48/604711648.db2.gz UQABKSGWZOTLKZ-FUHWJXTLSA-N -1 0 344.455 3.701 20 0 EHADRM CC(C)Oc1ccc(Cl)cc1C(=O)N(C)C1(C(=O)[O-])CCCC1 ZINC000827054956 604715090 /nfs/dbraw/zinc/71/50/90/604715090.db2.gz RBQAFKOMEQMAMC-UHFFFAOYSA-N -1 0 339.819 3.597 20 0 EHADRM CC(C)C[C@H](NC(=O)Cc1cccc(C(=O)[O-])c1)c1cccs1 ZINC000540775250 604718924 /nfs/dbraw/zinc/71/89/24/604718924.db2.gz JAINSVBMVXPTPQ-HNNXBMFYSA-N -1 0 331.437 3.892 20 0 EHADRM O=C([O-])Nc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccco1 ZINC000832839290 604722959 /nfs/dbraw/zinc/72/29/59/604722959.db2.gz UHARXIKEMIZOOZ-UHFFFAOYSA-N -1 0 328.246 3.570 20 0 EHADRM CN(C(=O)c1ccc(SC(F)(F)F)cc1)C1(C(=O)[O-])CCCC1 ZINC000391821492 604728420 /nfs/dbraw/zinc/72/84/20/604728420.db2.gz OPVKUDQBKDTTLC-UHFFFAOYSA-N -1 0 347.358 3.768 20 0 EHADRM COc1ccc2sc(C(=O)N(C)C3(C(=O)[O-])CCCC3)c(C)c2c1 ZINC000832510490 604729945 /nfs/dbraw/zinc/72/99/45/604729945.db2.gz QIADAIVWFBBLNN-UHFFFAOYSA-N -1 0 347.436 3.688 20 0 EHADRM O=C([O-])CCc1csc(NC(=O)C[C@H]2CCCc3ccccc32)n1 ZINC000833238230 604730884 /nfs/dbraw/zinc/73/08/84/604730884.db2.gz WQYQZLGKNSPJFH-CYBMUJFWSA-N -1 0 344.436 3.609 20 0 EHADRM C[C@@H]1CN(Cc2ccc(C(=O)[O-])cc2F)C[C@@H](c2ccsc2)O1 ZINC000833630338 604762393 /nfs/dbraw/zinc/76/23/93/604762393.db2.gz ROYKBOHZJKDHLM-BZNIZROVSA-N -1 0 335.400 3.547 20 0 EHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000761951796 604778451 /nfs/dbraw/zinc/77/84/51/604778451.db2.gz YRYNBUKCIDLOLJ-OUKQBFOZSA-N -1 0 335.831 3.847 20 0 EHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC000761866477 604780089 /nfs/dbraw/zinc/78/00/89/604780089.db2.gz RKLDFAXWVCZSEI-BLIJAFNYSA-N -1 0 347.773 3.825 20 0 EHADRM CC1(C)Cc2cc(NC(=O)CCc3ccccc3C(=O)[O-])ccc2O1 ZINC000833561245 604785425 /nfs/dbraw/zinc/78/54/25/604785425.db2.gz VRTBXMRZPNXHGW-UHFFFAOYSA-N -1 0 339.391 3.670 20 0 EHADRM CC1(C)CN(C(=O)NCCCCCCCC(=O)[O-])Cc2ccccc21 ZINC000833559726 604791061 /nfs/dbraw/zinc/79/10/61/604791061.db2.gz GFYZILMTOUCZFN-UHFFFAOYSA-N -1 0 346.471 3.915 20 0 EHADRM CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1cccc(C(=O)[O-])c1O ZINC000833463380 604798505 /nfs/dbraw/zinc/79/85/05/604798505.db2.gz RZESJDHDROCLSN-UHFFFAOYSA-N -1 0 349.770 3.540 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(OC(F)(F)F)c2)cc1F ZINC000833159513 604809769 /nfs/dbraw/zinc/80/97/69/604809769.db2.gz HQWQFPJIWCOZBD-UHFFFAOYSA-N -1 0 343.232 3.675 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1F ZINC000833156220 604816189 /nfs/dbraw/zinc/81/61/89/604816189.db2.gz DJTKJVXCJPRDAP-UHFFFAOYSA-N -1 0 345.223 3.934 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828184217 604824061 /nfs/dbraw/zinc/82/40/61/604824061.db2.gz OMHNBRQUGUQGLW-WFASDCNBSA-N -1 0 327.355 3.542 20 0 EHADRM Cc1cc(C)cc(C[C@@H](C)NC(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000832877164 604827033 /nfs/dbraw/zinc/82/70/33/604827033.db2.gz QXGODVUVFZZHSG-CYBMUJFWSA-N -1 0 329.371 3.502 20 0 EHADRM Cc1cccc(C2=CCN(C(=O)c3ccc(C(=O)[O-])s3)CC2)c1 ZINC000432130322 604833864 /nfs/dbraw/zinc/83/38/64/604833864.db2.gz QHPSMRUFMNJJJK-UHFFFAOYSA-N -1 0 327.405 3.684 20 0 EHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)N(CC(=O)[O-])c1cccc(C)n1 ZINC000833383218 604835462 /nfs/dbraw/zinc/83/54/62/604835462.db2.gz IUYICZSLOCPQAI-BENRWUELSA-N -1 0 344.798 3.565 20 0 EHADRM C/C(=C\c1cccc(Cl)c1)C(=O)N(CC(=O)[O-])c1cccc(C)n1 ZINC000833385111 604835527 /nfs/dbraw/zinc/83/55/27/604835527.db2.gz GHCGVXWBMUCGGP-FMIVXFBMSA-N -1 0 344.798 3.565 20 0 EHADRM C[C@@H]1CSc2ccccc2N(C(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC000833631636 604842742 /nfs/dbraw/zinc/84/27/42/604842742.db2.gz FLOPQTCHCLAOCW-ZDUSSCGKSA-N -1 0 341.432 3.702 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)cc1C ZINC000237623013 604846490 /nfs/dbraw/zinc/84/64/90/604846490.db2.gz XVSKZLQKYMBXHS-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM Cc1ccc(F)cc1C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000237562095 604849330 /nfs/dbraw/zinc/84/93/30/604849330.db2.gz NYGUVGOFCRXFCL-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCSc1ccccc1)c1ccccc1 ZINC000013224259 604866933 /nfs/dbraw/zinc/86/69/33/604866933.db2.gz UFWVCDQPUDRZDP-INIZCTEOSA-N -1 0 329.421 3.501 20 0 EHADRM CN(C(=O)c1cc2cccc(Cl)c2o1)C1(C(=O)[O-])CCCCC1 ZINC000833686060 604867201 /nfs/dbraw/zinc/86/72/01/604867201.db2.gz LSJTYXGIHLYXBO-UHFFFAOYSA-N -1 0 335.787 3.946 20 0 EHADRM C[C@@H](OC(=O)c1cnccc1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000827873238 604867407 /nfs/dbraw/zinc/86/74/07/604867407.db2.gz GBLYQNQLWQVYTA-SECBINFHSA-N -1 0 339.269 3.717 20 0 EHADRM Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2ccc(CNC(=O)[O-])o2)c1 ZINC000830268715 604868260 /nfs/dbraw/zinc/86/82/60/604868260.db2.gz UTCBLEKDNALCRY-INIZCTEOSA-N -1 0 342.395 3.641 20 0 EHADRM CN(C(=O)c1cc2cc(F)ccc2s1)C1(C(=O)[O-])CCCCC1 ZINC000324351550 604873390 /nfs/dbraw/zinc/87/33/90/604873390.db2.gz GFBSVJWXEKKXET-UHFFFAOYSA-N -1 0 335.400 3.900 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000387735241 604874137 /nfs/dbraw/zinc/87/41/37/604874137.db2.gz XBYXGLDFZMTKJN-JTQLQIEISA-N -1 0 326.780 3.575 20 0 EHADRM C[C@H]1CCc2sc(C(=O)N[C@H](CC(=O)[O-])c3ccccc3)cc2C1 ZINC000013224809 604880350 /nfs/dbraw/zinc/88/03/50/604880350.db2.gz DVWLRLASYOMOOW-SWLSCSKDSA-N -1 0 343.448 3.819 20 0 EHADRM CCCC[C@H](Cc1ccccn1)OC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000829284316 604883202 /nfs/dbraw/zinc/88/32/02/604883202.db2.gz AFSARUFCZQKSKW-OAHLLOKOSA-N -1 0 345.370 3.877 20 0 EHADRM CC(C)Cc1ccc(CC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000833493119 604884785 /nfs/dbraw/zinc/88/47/85/604884785.db2.gz JJCCTMTUNQSPIH-SFHVURJKSA-N -1 0 345.483 3.777 20 0 EHADRM O=C([O-])C[C@H](NC(=O)/C=C\Sc1ccccc1)c1ccccc1 ZINC000833199762 604884756 /nfs/dbraw/zinc/88/47/56/604884756.db2.gz XUIFHSHZMAGJCY-JNSOCZORSA-N -1 0 327.405 3.625 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)[C@@H]1CCCc2sccc21 ZINC000833031980 604887554 /nfs/dbraw/zinc/88/75/54/604887554.db2.gz RLTYTEJGVKHCPK-GFCCVEGCSA-N -1 0 336.434 3.980 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2ccc(C(F)F)cc2)C1 ZINC000833419017 604892654 /nfs/dbraw/zinc/89/26/54/604892654.db2.gz WGXWXEHHJMNWGP-ZDUSSCGKSA-N -1 0 325.355 3.587 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)/C=C\c2ccc(Cl)cc2)C1 ZINC000391174902 604896796 /nfs/dbraw/zinc/89/67/96/604896796.db2.gz GDFJJWQRKDCKHS-JKEYDSJLSA-N -1 0 335.831 3.703 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)c2cccc(-c3ccoc3)c2)C(=O)[O-])cc1 ZINC000431521885 604910201 /nfs/dbraw/zinc/91/02/01/604910201.db2.gz GWQCCOSSXOZGNE-LJQANCHMSA-N -1 0 349.386 3.853 20 0 EHADRM C[C@H]1CC(=O)CC[C@H]1C(=O)OCc1c2ccccc2sc1C(=O)[O-] ZINC000833593164 604910778 /nfs/dbraw/zinc/91/07/78/604910778.db2.gz PHKKPLIUASBYRL-CMPLNLGQSA-N -1 0 346.404 3.648 20 0 EHADRM Cc1cccc2sc(NC(=O)c3ccc(C(=O)[O-])c(F)c3)nc21 ZINC000832975022 604920770 /nfs/dbraw/zinc/92/07/70/604920770.db2.gz UCBUPNDLYMWODQ-UHFFFAOYSA-N -1 0 330.340 3.694 20 0 EHADRM CN(C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)C1CCCCC1 ZINC000830507490 604921085 /nfs/dbraw/zinc/92/10/85/604921085.db2.gz KXVQVPHBVWGTFG-UHFFFAOYSA-N -1 0 340.807 3.600 20 0 EHADRM CCC(CC)(CC)NC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000828815071 604930168 /nfs/dbraw/zinc/93/01/68/604930168.db2.gz GZUGWGACTXDHLH-UHFFFAOYSA-N -1 0 342.823 3.894 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)/C=C\c1cccc(F)c1 ZINC000777391488 604934105 /nfs/dbraw/zinc/93/41/05/604934105.db2.gz PKTYVCVYVRWCIA-QXMHVHEDSA-N -1 0 341.382 3.733 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NCc1noc(C2CCCCC2)n1)c1ccccc1 ZINC000833407346 604955104 /nfs/dbraw/zinc/95/51/04/604955104.db2.gz NGRBWOQDHSYWPM-DYVFJYSZSA-N -1 0 343.427 3.669 20 0 EHADRM C[C@H](OC(=O)CCCc1cc(F)ccc1F)c1ccc(C(=O)[O-])o1 ZINC000833527477 604955564 /nfs/dbraw/zinc/95/55/64/604955564.db2.gz DMSWGEAPEXBLPJ-JTQLQIEISA-N -1 0 338.306 3.883 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N[C@H]2CC3CCC2CC3)cc1 ZINC000392740001 604958760 /nfs/dbraw/zinc/95/87/60/604958760.db2.gz URYWLSQMINEQFD-ZUEPYMLJSA-N -1 0 330.428 3.749 20 0 EHADRM C[C@]1(NC(=O)c2ccc(Oc3ccccc3)o2)CCCC[C@H]1C(=O)[O-] ZINC000262763699 604966838 /nfs/dbraw/zinc/96/68/38/604966838.db2.gz KQCWHIMMDNDJIE-LIRRHRJNSA-N -1 0 343.379 3.835 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)N[C@@H](c2ccccc2)C2CC2)C1 ZINC000833413688 604975811 /nfs/dbraw/zinc/97/58/11/604975811.db2.gz FBCROMRLRPFZSR-SJORKVTESA-N -1 0 344.455 3.670 20 0 EHADRM COc1ccc2oc(C(=O)OCc3cc(C(=O)[O-])c(C)o3)c(C)c2c1 ZINC000833734600 604989615 /nfs/dbraw/zinc/98/96/15/604989615.db2.gz APFMQEFEVFKJQC-UHFFFAOYSA-N -1 0 344.319 3.706 20 0 EHADRM CCc1nc(NC(=O)[C@@H]2C[C@H]2c2sccc2C)sc1C(=O)[O-] ZINC000833673946 604994884 /nfs/dbraw/zinc/99/48/84/604994884.db2.gz MEXJYYAAIXPCCT-RKDXNWHRSA-N -1 0 336.438 3.516 20 0 EHADRM Cc1scc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])c1C ZINC000450501168 605009337 /nfs/dbraw/zinc/00/93/37/605009337.db2.gz PBAJTYKNQCHOCU-GFCCVEGCSA-N -1 0 331.437 3.728 20 0 EHADRM CC1(C)c2ccccc2CCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000833562321 605024014 /nfs/dbraw/zinc/02/40/14/605024014.db2.gz BZQPWAGTVQOYBV-UHFFFAOYSA-N -1 0 337.419 3.637 20 0 EHADRM C[C@@H](C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-])c1cccc(Cl)c1 ZINC000833402750 605026133 /nfs/dbraw/zinc/02/61/33/605026133.db2.gz VHQSOKWYXKZSTG-KGLIPLIRSA-N -1 0 345.826 3.945 20 0 EHADRM C[C@@H](C(=O)N(CCC(=O)[O-])Cc1ccccc1)c1c(F)cccc1F ZINC000649353096 605029321 /nfs/dbraw/zinc/02/93/21/605029321.db2.gz NWZKFFUWQMUFNW-CYBMUJFWSA-N -1 0 347.361 3.572 20 0 EHADRM CC(C)c1ccc(C(=O)[C@H](C)OC(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000833528878 605031493 /nfs/dbraw/zinc/03/14/93/605031493.db2.gz LYAOFVNGTHDMEV-ZDUSSCGKSA-N -1 0 334.412 3.815 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)OCc1c(Cl)ccc2cccnc21 ZINC000833455070 605034227 /nfs/dbraw/zinc/03/42/27/605034227.db2.gz HKPKMMPYVNGJPE-UHFFFAOYSA-N -1 0 335.787 3.822 20 0 EHADRM C[C@@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1)c1c(F)cccc1F ZINC000833407629 605035877 /nfs/dbraw/zinc/03/58/77/605035877.db2.gz UFBBSYQPRJQWDP-RFAUZJTJSA-N -1 0 338.281 3.577 20 0 EHADRM C[C@@H](C(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1)c1ccc(Cl)s1 ZINC000833410587 605057747 /nfs/dbraw/zinc/05/77/47/605057747.db2.gz DATVCCZKOUQUFI-SSDOTTSWSA-N -1 0 349.799 3.718 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000150218968 605060929 /nfs/dbraw/zinc/06/09/29/605060929.db2.gz DWAUCAFSTHQHFA-UHFFFAOYSA-N -1 0 331.456 3.577 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCc2ccccc2)ccc1Br ZINC000132332965 605063621 /nfs/dbraw/zinc/06/36/21/605063621.db2.gz PWKACTYIBVCHBW-UHFFFAOYSA-N -1 0 348.196 3.719 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000833454159 605065515 /nfs/dbraw/zinc/06/55/15/605065515.db2.gz DLZAOKHMPZXOAB-UHFFFAOYSA-N -1 0 333.384 3.558 20 0 EHADRM CC1(C)CC[C@@H](C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC000833557735 605071188 /nfs/dbraw/zinc/07/11/88/605071188.db2.gz YGOAWOWEXIBZPA-CQSZACIVSA-N -1 0 330.428 3.750 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)[C@H]2CCc3c2cccc3Cl)cc1 ZINC000833775954 605085744 /nfs/dbraw/zinc/08/57/44/605085744.db2.gz DNFNLNWXJVZGGP-HNNXBMFYSA-N -1 0 330.767 3.603 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2ccc(N3CCCCC3)cc2)CC1 ZINC000324916617 605097022 /nfs/dbraw/zinc/09/70/22/605097022.db2.gz KQQIKWYTKPSEQH-UHFFFAOYSA-N -1 0 330.428 3.506 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000194382233 605097596 /nfs/dbraw/zinc/09/75/96/605097596.db2.gz FEPICUNVQAVIKX-UHFFFAOYSA-N -1 0 347.745 3.771 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000190611396 605099613 /nfs/dbraw/zinc/09/96/13/605099613.db2.gz HYNYDIGFOFSPRW-UHFFFAOYSA-N -1 0 329.396 3.699 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)C3CCC(C(=O)[O-])CC3)ccc2o1 ZINC000194393208 605099703 /nfs/dbraw/zinc/09/97/03/605099703.db2.gz VYACWNNLXAGURO-UHFFFAOYSA-N -1 0 344.411 3.955 20 0 EHADRM CC[C@H](C(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1ccc(OC)cc1 ZINC000833636312 605104081 /nfs/dbraw/zinc/10/40/81/605104081.db2.gz NTAXIJUVNBLMCC-LBPRGKRZSA-N -1 0 349.333 3.804 20 0 EHADRM C[C@H]1CC[C@@H](NC(=O)c2cccc(OCC(=O)[O-])c2)c2ccccc21 ZINC000262885229 605108415 /nfs/dbraw/zinc/10/84/15/605108415.db2.gz YGYDCXUQGGGFBX-SCLBCKFNSA-N -1 0 339.391 3.518 20 0 EHADRM C[C@H]1CC[C@@H](NC(=O)c2ccc(C(=O)[O-])c(F)c2)c2ccccc21 ZINC000833604513 605109137 /nfs/dbraw/zinc/10/91/37/605109137.db2.gz TXMJKPJEVUGWJR-APPDUMDISA-N -1 0 327.355 3.892 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)/C=C\c1ccc2[nH]ccc2c1 ZINC000833696960 605117832 /nfs/dbraw/zinc/11/78/32/605117832.db2.gz ZHPJICLSGXYMMQ-UITAMQMPSA-N -1 0 334.375 3.538 20 0 EHADRM C[C@H]1CC[C@@H](NC(=O)NCc2cccc(C(=O)[O-])c2)c2ccccc21 ZINC000833605153 605127699 /nfs/dbraw/zinc/12/76/99/605127699.db2.gz XWABTHXGPSSKOG-SCLBCKFNSA-N -1 0 338.407 3.823 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000190858297 605129442 /nfs/dbraw/zinc/12/94/42/605129442.db2.gz ZVJDUNVNHHGVBW-BONVTDFDSA-N -1 0 335.762 3.671 20 0 EHADRM CC(C)N(Cc1ccccn1)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000833497522 605131545 /nfs/dbraw/zinc/13/15/45/605131545.db2.gz DTRZHVWCRWFSLM-UHFFFAOYSA-N -1 0 347.802 3.876 20 0 EHADRM CC(C)(C)C(=O)CS[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833419904 605148986 /nfs/dbraw/zinc/14/89/86/605148986.db2.gz ZPUJYNIRQXRPCZ-LBPRGKRZSA-N -1 0 345.258 3.923 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)c2nc3ccccc3s2)cc1 ZINC000833685598 605192115 /nfs/dbraw/zinc/19/21/15/605192115.db2.gz OBSUAJAYAHKFKR-UHFFFAOYSA-N -1 0 327.365 3.663 20 0 EHADRM CCc1ccc([C@@H](C)N[C@H](C(=O)OC)c2cccc(C(=O)[O-])c2)cc1 ZINC000833671480 605194660 /nfs/dbraw/zinc/19/46/60/605194660.db2.gz ZDMYQGWCPOIJLF-ACJLOTCBSA-N -1 0 341.407 3.512 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000826582222 605213690 /nfs/dbraw/zinc/21/36/90/605213690.db2.gz WTLUOKFBGQKETO-UHFFFAOYSA-N -1 0 342.399 3.537 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)[C@H]2CCCC[C@@H]12 ZINC000833621539 605226469 /nfs/dbraw/zinc/22/64/69/605226469.db2.gz JENOXULZFVGFOE-FTGAXOIBSA-N -1 0 338.354 3.705 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000190914792 605231700 /nfs/dbraw/zinc/23/17/00/605231700.db2.gz IIOQXAKQYLVZNQ-OAHLLOKOSA-N -1 0 341.407 3.748 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000833430343 605233118 /nfs/dbraw/zinc/23/31/18/605233118.db2.gz VYRSDENEIASHKE-SSDOTTSWSA-N -1 0 335.219 3.557 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)CCc1ncc(-c2ccccc2)o1)C(=O)[O-] ZINC000833428570 605235525 /nfs/dbraw/zinc/23/55/25/605235525.db2.gz UILRNDKNUSYHGU-CQSZACIVSA-N -1 0 345.395 3.707 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)c1csc(Cc2ccccc2)n1)C(=O)[O-] ZINC000833430639 605235585 /nfs/dbraw/zinc/23/55/85/605235585.db2.gz YFQZYJSQBDRBBK-CQSZACIVSA-N -1 0 347.436 3.780 20 0 EHADRM O=C([O-])N(CC(=O)Nc1ccc(O)c2ccccc12)c1ccccc1 ZINC000831451496 605249316 /nfs/dbraw/zinc/24/93/16/605249316.db2.gz XRFQKXPNXCUBLA-UHFFFAOYSA-N -1 0 336.347 3.669 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000263027300 605254307 /nfs/dbraw/zinc/25/43/07/605254307.db2.gz ZAACMZKKJGVIIH-OAHLLOKOSA-N -1 0 325.408 3.911 20 0 EHADRM CCC(CC)n1nccc1C(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000826581481 605255352 /nfs/dbraw/zinc/25/53/52/605255352.db2.gz NILHOTZMOHQGIE-UHFFFAOYSA-N -1 0 331.372 3.578 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)c2ccc(F)c(Cl)c2F)cc1 ZINC000833685111 605264046 /nfs/dbraw/zinc/26/40/46/605264046.db2.gz FFAZQNVUWGAXRC-UHFFFAOYSA-N -1 0 340.713 3.985 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000683325160 605267429 /nfs/dbraw/zinc/26/74/29/605267429.db2.gz NPWVHMMARYZATF-FUHWJXTLSA-N -1 0 345.483 3.995 20 0 EHADRM C/C(=C\C(=O)O[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[O-])C1CC1 ZINC000833384470 605279290 /nfs/dbraw/zinc/27/92/90/605279290.db2.gz RABQIONTMJFQLX-QSYFUGGGSA-N -1 0 342.313 3.601 20 0 EHADRM COc1ccc(C)cc1CNC(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833730591 605282384 /nfs/dbraw/zinc/28/23/84/605282384.db2.gz IMKYSBNFQXZHON-UHFFFAOYSA-N -1 0 347.346 3.554 20 0 EHADRM C[C@H](CC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1)c1cccnc1 ZINC000833514171 605302993 /nfs/dbraw/zinc/30/29/93/605302993.db2.gz PODGQZACJXQJOI-VLIAUNLRSA-N -1 0 348.402 3.671 20 0 EHADRM CC(C)(Oc1ccc(F)cc1)C(=O)OCc1ccc(NC(=O)[O-])cc1 ZINC000833462908 605304533 /nfs/dbraw/zinc/30/45/33/605304533.db2.gz OPEHSOUTTNLXBN-UHFFFAOYSA-N -1 0 347.342 3.816 20 0 EHADRM CC[C@@H]1CN(C(=O)c2ccc(-c3ccco3)s2)CC[C@H]1NC(=O)[O-] ZINC000833852108 605362810 /nfs/dbraw/zinc/36/28/10/605362810.db2.gz XJARNJHWMLEWMX-VXGBXAGGSA-N -1 0 348.424 3.516 20 0 EHADRM C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000226514112 605365551 /nfs/dbraw/zinc/36/55/51/605365551.db2.gz HJTWVPLQXLFRPZ-PSASIEDQSA-N -1 0 326.190 3.522 20 0 EHADRM C[C@@H]1CCC[C@H]1C(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000833608953 605367123 /nfs/dbraw/zinc/36/71/23/605367123.db2.gz OTDITJQHWHTVDN-OASPWFOLSA-N -1 0 330.302 3.968 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N2CC=C(C(F)(F)F)CC2)c1 ZINC000834260958 605379834 /nfs/dbraw/zinc/37/98/34/605379834.db2.gz DKDAQQKLYUZVNT-UHFFFAOYSA-N -1 0 347.268 3.642 20 0 EHADRM CC1(C)C[C@@H](NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C(C)(C)O1 ZINC000833556294 605398614 /nfs/dbraw/zinc/39/86/14/605398614.db2.gz RGAFKXZXNFFRIS-GFCCVEGCSA-N -1 0 340.807 3.506 20 0 EHADRM CCc1noc(C)c1CN[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000833678977 605399962 /nfs/dbraw/zinc/39/99/62/605399962.db2.gz KAYMPQPGNHREBV-CQSZACIVSA-N -1 0 343.210 3.768 20 0 EHADRM Cc1ccc(C[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000192845212 605416893 /nfs/dbraw/zinc/41/68/93/605416893.db2.gz PEOUVQXNGHISRA-QAPCUYQASA-N -1 0 325.408 3.506 20 0 EHADRM Cc1ccc(C[C@@H](C)C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000833748219 605450361 /nfs/dbraw/zinc/45/03/61/605450361.db2.gz DYAGRGQWPCIQDG-NVXWUHKLSA-N -1 0 337.419 3.779 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC000833384871 605460332 /nfs/dbraw/zinc/46/03/32/605460332.db2.gz RBEVOZUXZDMGAM-RAXLEYEMSA-N -1 0 344.436 3.901 20 0 EHADRM O=C([O-])N1CCc2cccc(C[NH+]3CCC(C(F)(F)F)CC3)c21 ZINC000834123252 605473420 /nfs/dbraw/zinc/47/34/20/605473420.db2.gz QHFMCVUFONDFMK-UHFFFAOYSA-N -1 0 328.334 3.501 20 0 EHADRM CN(CCN(C)C(=S)Nc1ccccc1-c1ccccc1)C(=O)[O-] ZINC000833873587 605479182 /nfs/dbraw/zinc/47/91/82/605479182.db2.gz GXWDCWGWNJUZFU-UHFFFAOYSA-N -1 0 343.452 3.592 20 0 EHADRM CC1(OCC(=O)Nc2cc(C(F)(F)F)ccc2NC(=O)[O-])CCC1 ZINC000825765903 605529484 /nfs/dbraw/zinc/52/94/84/605529484.db2.gz AGKFROOLXOFVGD-UHFFFAOYSA-N -1 0 346.305 3.693 20 0 EHADRM CCCN(C(=O)Nc1cc(C)cc(C)c1)C1CCN(C(=O)[O-])CC1 ZINC000826875698 605539298 /nfs/dbraw/zinc/53/92/98/605539298.db2.gz NQSLCWXZPWDCIA-UHFFFAOYSA-N -1 0 333.432 3.690 20 0 EHADRM Cc1c(CNc2cccc(CC(=O)[O-])c2)sc2nc(C)nc(C)c12 ZINC000818990620 605545515 /nfs/dbraw/zinc/54/55/15/605545515.db2.gz DGSWSRDJNTXBGD-UHFFFAOYSA-N -1 0 341.436 3.856 20 0 EHADRM CC(C)(C)OC(=O)N1CCC[C@H]1CNc1ccc(CCC(=O)[O-])cc1 ZINC000833443087 605545625 /nfs/dbraw/zinc/54/56/25/605545625.db2.gz YWMASMILNSRFDH-INIZCTEOSA-N -1 0 348.443 3.515 20 0 EHADRM O=C([O-])N[C@H](CC(=O)Nc1cncc2ccccc21)c1ccccc1 ZINC000834128062 605547191 /nfs/dbraw/zinc/54/71/91/605547191.db2.gz KKRPFLSVZLOESE-MRXNPFEDSA-N -1 0 335.363 3.572 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)C[C@@H](NC(=O)[O-])c1ccccc1 ZINC000824424939 605585905 /nfs/dbraw/zinc/58/59/05/605585905.db2.gz JMZFVQWCUDCRIR-MRXNPFEDSA-N -1 0 342.395 3.811 20 0 EHADRM C[C@@H](c1ccccc1)c1ccc(OC(=O)c2cnc(C(=O)[O-])cn2)cc1 ZINC000833547876 605604453 /nfs/dbraw/zinc/60/44/53/605604453.db2.gz FPJDIHUMPWLQQM-ZDUSSCGKSA-N -1 0 348.358 3.546 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)NCCc2ccc(NC(=O)[O-])cc2)CC(C)(C)C1 ZINC000833591631 605607995 /nfs/dbraw/zinc/60/79/95/605607995.db2.gz YHZRYDLKIORJHH-UKRRQHHQSA-N -1 0 332.444 3.898 20 0 EHADRM CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000262806065 605625355 /nfs/dbraw/zinc/62/53/55/605625355.db2.gz SKJWFWHXWAGGBU-OLZOCXBDSA-N -1 0 329.396 3.924 20 0 EHADRM O=C([O-])Nc1ccc(CNc2ccc3c(cnn3C(F)F)c2)cn1 ZINC000834260204 605647738 /nfs/dbraw/zinc/64/77/38/605647738.db2.gz NUIFCBWQKCWBLX-UHFFFAOYSA-N -1 0 333.298 3.528 20 0 EHADRM O=C([O-])NC[C@@H]1CCC[C@@H]1Nc1cccc(OCc2cscn2)c1 ZINC000834219135 605661248 /nfs/dbraw/zinc/66/12/48/605661248.db2.gz XRXVPDSQUSBSFA-LRDDRELGSA-N -1 0 347.440 3.570 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)NC2CCC(F)(F)CC2)c1 ZINC000834261011 605674451 /nfs/dbraw/zinc/67/44/51/605674451.db2.gz GBQYHZOVKTYQID-UHFFFAOYSA-N -1 0 331.294 3.615 20 0 EHADRM CCOc1ccc(CNC(=O)c2ccc(NC(=O)[O-])c(C)c2)cc1F ZINC000827432673 605680642 /nfs/dbraw/zinc/68/06/42/605680642.db2.gz CFDYCINSZONEOT-UHFFFAOYSA-N -1 0 346.358 3.553 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N1CCC(OC2CCCCC2)CC1 ZINC000740041835 605689639 /nfs/dbraw/zinc/68/96/39/605689639.db2.gz VOVQIURPHYJGML-UHFFFAOYSA-N -1 0 346.427 3.730 20 0 EHADRM Cc1cc(C(=O)N[C@@H](C)c2ccc(F)cc2F)ccc1NC(=O)[O-] ZINC000829940439 605709705 /nfs/dbraw/zinc/70/97/05/605709705.db2.gz NFUABOGXLWPVKD-JTQLQIEISA-N -1 0 334.322 3.854 20 0 EHADRM O=C([O-])N1CC[C@@H](Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)C1 ZINC000834053086 605735561 /nfs/dbraw/zinc/73/55/61/605735561.db2.gz QMORXVVRGJBWGF-CQSZACIVSA-N -1 0 349.406 3.509 20 0 EHADRM O=C([O-])Nc1ccc(CNC2(c3ccc(F)cc3F)CCC2)cn1 ZINC000834260775 605744551 /nfs/dbraw/zinc/74/45/51/605744551.db2.gz XJJKWHGRJUNWKK-UHFFFAOYSA-N -1 0 333.338 3.619 20 0 EHADRM CC(C)N(C(=O)CSCc1cc(C(=O)[O-])ccc1Cl)C(C)C ZINC000833495859 605788002 /nfs/dbraw/zinc/78/80/02/605788002.db2.gz ZWYGDXKDTWNRMD-UHFFFAOYSA-N -1 0 343.876 3.917 20 0 EHADRM CCc1noc([C@H](C)SCc2cc(C(=O)[O-])ccc2Cl)n1 ZINC000833678221 605788775 /nfs/dbraw/zinc/78/87/75/605788775.db2.gz BFZMZFTUDFTYEG-QMMMGPOBSA-N -1 0 326.805 3.978 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)c(F)c1 ZINC000833775904 605800189 /nfs/dbraw/zinc/80/01/89/605800189.db2.gz BTKXTCGYYXQBBJ-MNOVXSKESA-N -1 0 348.292 3.727 20 0 EHADRM O=C([O-])N[C@H]1C[C@H](NCc2ccn(C3CCCC3)n2)c2ccccc21 ZINC000834159861 605806223 /nfs/dbraw/zinc/80/62/23/605806223.db2.gz YYRBIDIJMKFJNL-ROUUACIJSA-N -1 0 340.427 3.542 20 0 EHADRM O=C([O-])N[C@H]1C[C@@H](Nc2ccc(N3CCCC3)nc2)c2ccccc21 ZINC000834159386 605811292 /nfs/dbraw/zinc/81/12/92/605811292.db2.gz SRUVFEWRIPBTHF-SJORKVTESA-N -1 0 338.411 3.547 20 0 EHADRM Cc1cc(NC(=O)c2ccc(NC(=O)[O-])cc2)nn1-c1ccccc1 ZINC000833900626 605818818 /nfs/dbraw/zinc/81/88/18/605818818.db2.gz UIUHUQVSWAPWAS-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM O=C([O-])c1ccc(F)c(COC(=O)c2cccc(F)c2Cl)c1 ZINC000833780710 605819213 /nfs/dbraw/zinc/81/92/13/605819213.db2.gz BCCPNNJLUGSELP-UHFFFAOYSA-N -1 0 326.682 3.673 20 0 EHADRM CN(Cc1ccccc1N1CCCC1)Cc1cc(C(=O)[O-])ccc1F ZINC000833694419 605830812 /nfs/dbraw/zinc/83/08/12/605830812.db2.gz KMSBQKCSCNPIIA-UHFFFAOYSA-N -1 0 342.414 3.756 20 0 EHADRM C[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2F)C[C@H](c2ccc(F)cc2)O1 ZINC000833630093 605835559 /nfs/dbraw/zinc/83/55/59/605835559.db2.gz PUSFBCQNCIILEV-KZULUSFZSA-N -1 0 347.361 3.625 20 0 EHADRM O=C([O-])N1CCC2(CCN(C(=O)[C@@H]3CC[C@H]4CCCC[C@H]4C3)C2)CC1 ZINC000834088346 605875394 /nfs/dbraw/zinc/87/53/94/605875394.db2.gz MVAIAMKCYSRZHX-IXDOHACOSA-N -1 0 348.487 3.585 20 0 EHADRM O=C([O-])N1CCC2(CCN(C(=O)c3cc4ccccc4s3)C2)CC1 ZINC000834091323 605876609 /nfs/dbraw/zinc/87/66/09/605876609.db2.gz OJCJZMBNYUWVFI-UHFFFAOYSA-N -1 0 344.436 3.507 20 0 EHADRM O=C([O-])NCCCCC(=O)Nc1cccc(Nc2ccccc2)c1 ZINC000834234248 605922576 /nfs/dbraw/zinc/92/25/76/605922576.db2.gz BKKGNVYUUCHABX-UHFFFAOYSA-N -1 0 327.384 3.807 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000834274880 605976319 /nfs/dbraw/zinc/97/63/19/605976319.db2.gz YZOVDTFFDNHCCF-UHFFFAOYSA-N -1 0 335.363 3.953 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)CC2CCC(C(F)(F)F)CC2)cn1 ZINC000834262693 606003650 /nfs/dbraw/zinc/00/36/50/606003650.db2.gz NJTIQDVOZRSEQZ-UHFFFAOYSA-N -1 0 345.321 3.869 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)c1cc2ccccc2[nH]c1=O ZINC000833906035 606005237 /nfs/dbraw/zinc/00/52/37/606005237.db2.gz HZARFNLUUWRBQB-UHFFFAOYSA-N -1 0 337.335 3.591 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCCc1cc(F)cc(F)c1 ZINC000833906611 606011137 /nfs/dbraw/zinc/01/11/37/606011137.db2.gz IEGOJTJXWWULJX-UHFFFAOYSA-N -1 0 349.337 3.727 20 0 EHADRM O=C([O-])Nc1ccccc1Cc1nc(Cc2ccc(Cl)cc2)no1 ZINC000834275993 606045471 /nfs/dbraw/zinc/04/54/71/606045471.db2.gz UFBNZRFFQIYZQD-UHFFFAOYSA-N -1 0 343.770 3.995 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N1CCCC[C@H]1c1ccco1 ZINC000834270361 606062886 /nfs/dbraw/zinc/06/28/86/606062886.db2.gz FSAJCBSKRQZGDX-HNNXBMFYSA-N -1 0 328.368 3.666 20 0 EHADRM O=C([O-])N[C@H](Cc1nc(-c2c(Cl)cccc2Cl)no1)C1CC1 ZINC000834149638 606074723 /nfs/dbraw/zinc/07/47/23/606074723.db2.gz HIEVIIXWFIJCTH-SNVBAGLBSA-N -1 0 342.182 3.632 20 0 EHADRM Cc1ccc(Cl)c(Oc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000826288952 608171017 /nfs/dbraw/zinc/17/10/17/608171017.db2.gz CWNHJWAQCRNOBP-UHFFFAOYSA-N -1 0 328.184 3.731 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc2[nH]ccc2c1)c1ccc(Cl)c(F)c1 ZINC000181890793 939033059 /nfs/dbraw/zinc/03/30/59/939033059.db2.gz GVSRNUMKWDKHOF-OAHLLOKOSA-N -1 0 346.745 3.516 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)N[C@H](C(=O)[O-])c2ccccc2F)c1C ZINC000684735207 939037031 /nfs/dbraw/zinc/03/70/31/939037031.db2.gz IZIBXUAYRXGYJK-GUYCJALGSA-N -1 0 344.386 3.629 20 0 EHADRM O=C([O-])[C@H](NC(=O)CCc1cccs1)c1ccc2ccccc2c1 ZINC000191490446 939038554 /nfs/dbraw/zinc/03/85/54/939038554.db2.gz YYWQENHOEYXFPN-GOSISDBHSA-N -1 0 339.416 3.776 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000237353764 939046619 /nfs/dbraw/zinc/04/66/19/939046619.db2.gz ODEVIOQZCMFGLA-LLVKDONJSA-N -1 0 341.860 3.724 20 0 EHADRM O=C([O-])C1(NC(=O)CCCOc2cccc3ccccc32)CCCC1 ZINC000237922864 939051472 /nfs/dbraw/zinc/05/14/72/939051472.db2.gz ACLNOFFNJGYNFU-UHFFFAOYSA-N -1 0 341.407 3.512 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000238033624 939055853 /nfs/dbraw/zinc/05/58/53/939055853.db2.gz WQSBZBAETDZJJK-LJQANCHMSA-N -1 0 331.371 3.909 20 0 EHADRM O=C([O-])C1(NC(=O)c2cc(C3CC3)nc3ccccc32)CCCCC1 ZINC000238054816 939056342 /nfs/dbraw/zinc/05/63/42/939056342.db2.gz XGCAEQIXBGTJNZ-UHFFFAOYSA-N -1 0 338.407 3.630 20 0 EHADRM O=C(/C=C\c1ccsc1)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000762206836 939071246 /nfs/dbraw/zinc/07/12/46/939071246.db2.gz PTJNIOKAIMPZOU-GNJLHFKMSA-N -1 0 337.400 3.857 20 0 EHADRM C[C@@](NC(=O)C[C@@H]1C=CCC1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000262925333 939086900 /nfs/dbraw/zinc/08/69/00/939086900.db2.gz GOJXIHCLHYJQSN-HWPZZCPQSA-N -1 0 342.222 3.766 20 0 EHADRM C[C@](NC(=O)C[C@H]1C=CCC1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000262925334 939087007 /nfs/dbraw/zinc/08/70/07/939087007.db2.gz GOJXIHCLHYJQSN-MGPLVRAMSA-N -1 0 342.222 3.766 20 0 EHADRM Cc1cccc([C@@H](NC(=O)CCCc2cccs2)C(=O)[O-])c1C ZINC000263129868 939102422 /nfs/dbraw/zinc/10/24/22/939102422.db2.gz SRMBEDKGHZADCC-QGZVFWFLSA-N -1 0 331.437 3.630 20 0 EHADRM C/C(=C\C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000776688471 939105609 /nfs/dbraw/zinc/10/56/09/939105609.db2.gz PAXHVGKMDQDIJN-QXLXQBSBSA-N -1 0 347.773 3.825 20 0 EHADRM CCC[C@@H](NC(=O)N[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000780369958 939111490 /nfs/dbraw/zinc/11/14/90/939111490.db2.gz LPSGVMLWFCSOEP-IAGOWNOFSA-N -1 0 326.396 3.653 20 0 EHADRM O=C([O-])C1(NC(=O)NCc2ccc(Cl)cc2Cl)CCCCC1 ZINC000314791225 939120404 /nfs/dbraw/zinc/12/04/04/939120404.db2.gz RODNAWSJCKAMHM-UHFFFAOYSA-N -1 0 345.226 3.580 20 0 EHADRM CCC1CCC(NC(=O)c2ccc(Cl)cc2F)(C(=O)[O-])CC1 ZINC000314148489 939120644 /nfs/dbraw/zinc/12/06/44/939120644.db2.gz VCYWOTRPGZTLMJ-UHFFFAOYSA-N -1 0 327.783 3.633 20 0 EHADRM C[C@](NC(=O)CSc1ccccc1Cl)(C(=O)[O-])c1ccccc1 ZINC000320537427 939123513 /nfs/dbraw/zinc/12/35/13/939123513.db2.gz QNEDJZMKXQPHER-QGZVFWFLSA-N -1 0 349.839 3.548 20 0 EHADRM C[C@](NC(=O)Nc1cccc2ccccc21)(C(=O)[O-])c1ccccc1 ZINC000327449751 939127831 /nfs/dbraw/zinc/12/78/31/939127831.db2.gz WUGSPNVLVRXOSV-HXUWFJFHSA-N -1 0 334.375 3.961 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2cccc(SC(F)F)c2)CCCC1 ZINC000780534874 939131832 /nfs/dbraw/zinc/13/18/32/939131832.db2.gz YJKRLOXLWWMKJJ-UHFFFAOYSA-N -1 0 330.356 3.520 20 0 EHADRM CC[C@](NC(=O)[C@@H]1CCC[C@H](F)C1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000425229220 939141452 /nfs/dbraw/zinc/14/14/52/939141452.db2.gz BGWTZVGVYUPASS-HYSWKAIVSA-N -1 0 341.810 3.674 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1ccc(-c2ccccc2)cc1)c1cccnc1 ZINC000788320770 939150445 /nfs/dbraw/zinc/15/04/45/939150445.db2.gz FTLCVFMUMQYYPP-SFHVURJKSA-N -1 0 347.374 3.696 20 0 EHADRM C[C@H](C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1)c1ccsc1 ZINC000431871261 939165437 /nfs/dbraw/zinc/16/54/37/939165437.db2.gz KYIWGHQGIVZGPX-SJCJKPOMSA-N -1 0 339.416 3.947 20 0 EHADRM CC[C@@H](C(=O)N[C@](CC)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000447895474 939204583 /nfs/dbraw/zinc/20/45/83/939204583.db2.gz YWCVLZVJEAJJBO-XLIONFOSSA-N -1 0 325.408 3.687 20 0 EHADRM CCC(CC)[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000448986351 939204675 /nfs/dbraw/zinc/20/46/75/939204675.db2.gz FEHBUAWEMJSCEL-YGRLFVJLSA-N -1 0 343.370 3.602 20 0 EHADRM CC[C@@H](C(=O)N[C@@](CC)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000447895475 939204814 /nfs/dbraw/zinc/20/48/14/939204814.db2.gz YWCVLZVJEAJJBO-YLJYHZDGSA-N -1 0 325.408 3.687 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000448998538 939206857 /nfs/dbraw/zinc/20/68/57/939206857.db2.gz WEXSCAMWCFNYSH-SJCJKPOMSA-N -1 0 347.436 3.583 20 0 EHADRM O=C([O-])[C@@H](NC(=O)C[C@H]1C=CCC1)c1ccc(Cl)cc1Cl ZINC000449001373 939207339 /nfs/dbraw/zinc/20/73/39/939207339.db2.gz KQRPCCCZCQQALB-XPTSAGLGSA-N -1 0 328.195 3.592 20 0 EHADRM CC/C=C(/C)C(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000836750261 939224069 /nfs/dbraw/zinc/22/40/69/939224069.db2.gz IJCFZOCNLHTYBL-HMZQOCAUSA-N -1 0 330.211 3.766 20 0 EHADRM CC[C@](NC(=O)CCc1ccccc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507296404 939232260 /nfs/dbraw/zinc/23/22/60/939232260.db2.gz ASUWTDIWSBTQGS-LJQANCHMSA-N -1 0 345.826 3.779 20 0 EHADRM Cc1cc(C)cc([C@H](C)NC(=O)N[C@@H](C(=O)[O-])c2cccs2)c1 ZINC000515118174 939239942 /nfs/dbraw/zinc/23/99/42/939239942.db2.gz CTWCCLSDNMSWGP-SWLSCSKDSA-N -1 0 332.425 3.551 20 0 EHADRM CC(C)(C)OC(=O)N[C@](C)(C(=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000863973240 939246263 /nfs/dbraw/zinc/24/62/63/939246263.db2.gz HQPRVEVKIBDECF-IBGZPJMESA-N -1 0 342.395 3.573 20 0 EHADRM CSCCCCCCC(=O)N[C@@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC000864141634 939251368 /nfs/dbraw/zinc/25/13/68/939251368.db2.gz MEMPVCCUNPQKPN-QGZVFWFLSA-N -1 0 337.485 3.859 20 0 EHADRM CSCCCCCCC(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC000864147262 939252149 /nfs/dbraw/zinc/25/21/49/939252149.db2.gz IZWRUDFFCAFFGP-KRWDZBQOSA-N -1 0 337.485 3.859 20 0 EHADRM Cc1ccccc1CCC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000537369157 939266595 /nfs/dbraw/zinc/26/65/95/939266595.db2.gz OJZYFDDPCPQTGY-QGZVFWFLSA-N -1 0 349.789 3.662 20 0 EHADRM COc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(C)c(C)c2)c(C)c1 ZINC000900328763 939274675 /nfs/dbraw/zinc/27/46/75/939274675.db2.gz VTZFJPLTBGJBOU-KRWDZBQOSA-N -1 0 342.395 3.568 20 0 EHADRM CN(C(=O)NC1(C(=O)[O-])CCC(c2ccccc2)CC1)C1CCCC1 ZINC000548993064 939296026 /nfs/dbraw/zinc/29/60/26/939296026.db2.gz RTUUMHKBRWGLNU-UHFFFAOYSA-N -1 0 344.455 3.752 20 0 EHADRM CC[C@H](NC(=O)N[C@@H](C(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC000554599905 939300706 /nfs/dbraw/zinc/30/07/06/939300706.db2.gz JPTJUAGSUZBXCP-JKSUJKDBSA-N -1 0 346.814 3.916 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)N[C@@H](C(=O)[O-])c2ccsc2)c2ccccc21 ZINC000555846123 939304911 /nfs/dbraw/zinc/30/49/11/939304911.db2.gz JRMDAUHIYJQFLY-XFBWCDHKSA-N -1 0 344.436 3.812 20 0 EHADRM Cc1nc2ccc(NC(=O)N[C@@H](C(=O)[O-])c3ccsc3)cc2s1 ZINC000559585503 939316763 /nfs/dbraw/zinc/31/67/63/939316763.db2.gz KDASYPUDADBRDK-CYBMUJFWSA-N -1 0 347.421 3.614 20 0 EHADRM Cc1cccc(Oc2ccc(NC(=O)N[C@H](C(=O)[O-])C3CC3)cc2)c1 ZINC000562462027 939333710 /nfs/dbraw/zinc/33/37/10/939333710.db2.gz MHNOAFKUFBDPOQ-KRWDZBQOSA-N -1 0 340.379 3.772 20 0 EHADRM CC(C)[C@H](CNC(=O)N[C@@H](C(=O)[O-])c1cccs1)c1ccccc1 ZINC000562975336 939337822 /nfs/dbraw/zinc/33/78/22/939337822.db2.gz VNTUHONOVIGXAF-GOEBONIOSA-N -1 0 346.452 3.613 20 0 EHADRM CC[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccsc1)c1ccc(OC)cc1 ZINC000563451572 939339171 /nfs/dbraw/zinc/33/91/71/939339171.db2.gz VRMDCECIHOOFBW-YVEFUNNKSA-N -1 0 347.436 3.583 20 0 EHADRM CCO[C@H]1C[C@](NC(=O)Nc2ccc(C(C)C)cc2)(C(=O)[O-])C1(C)C ZINC000563931793 939342679 /nfs/dbraw/zinc/34/26/79/939342679.db2.gz XGEGIUSDLUNPCF-KXBFYZLASA-N -1 0 348.443 3.590 20 0 EHADRM Cc1ccc(CNC(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)cc1 ZINC000570505450 939383592 /nfs/dbraw/zinc/38/35/92/939383592.db2.gz HLZFVOLRUMKZSN-LJQANCHMSA-N -1 0 348.402 3.773 20 0 EHADRM CCc1ccc(CNC(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)s1 ZINC000570659602 939385235 /nfs/dbraw/zinc/38/52/35/939385235.db2.gz DJRZMWUVYFWDGB-INIZCTEOSA-N -1 0 346.452 3.552 20 0 EHADRM O=C([O-])[C@@H](NC(=O)N[C@H]1CCCCc2ccccc21)c1ccsc1 ZINC000572198080 939397302 /nfs/dbraw/zinc/39/73/02/939397302.db2.gz KNYRLXBSYLNFAQ-HOTGVXAUSA-N -1 0 344.436 3.641 20 0 EHADRM CCC(=O)c1cccc(NC(=O)NC2(C(=O)[O-])CCC(CC)CC2)c1 ZINC000572243517 939397813 /nfs/dbraw/zinc/39/78/13/939397813.db2.gz GMQZIHIUAATBLN-UHFFFAOYSA-N -1 0 346.427 3.824 20 0 EHADRM Cc1cccc([C@H](NC(=O)CC2CC(OC(C)(C)C)C2)C(=O)[O-])c1C ZINC000909800621 939738289 /nfs/dbraw/zinc/73/82/89/939738289.db2.gz KWJNTZAOQRDSHJ-JMLCCBQJSA-N -1 0 347.455 3.529 20 0 EHADRM C[C@](NC(=O)[C@]12C[C@H]1CCC2)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000576386430 939738798 /nfs/dbraw/zinc/73/87/98/939738798.db2.gz LFOJMXFISNTMLK-UHNFBRDESA-N -1 0 342.222 3.600 20 0 EHADRM C[C@@H](CC(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21)C(F)(F)F ZINC000910937400 939761325 /nfs/dbraw/zinc/76/13/25/939761325.db2.gz REYDOSHFLHFHDT-BONVTDFDSA-N -1 0 339.313 3.670 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc(C2CCCCC2)cc1)c1cccnc1 ZINC000910982996 939764780 /nfs/dbraw/zinc/76/47/80/939764780.db2.gz OBANPYVZSDMDRN-GOSISDBHSA-N -1 0 338.407 3.685 20 0 EHADRM CCOc1ccc(NC(=O)N[C@@](CC)(C(=O)[O-])c2ccccc2)cc1 ZINC000581109649 939776158 /nfs/dbraw/zinc/77/61/58/939776158.db2.gz AONNDDZTLCLSCI-LJQANCHMSA-N -1 0 342.395 3.597 20 0 EHADRM CC[C@@H](NC(=O)N[C@H](C(=O)[O-])c1cccs1)c1ccc(C)cc1 ZINC000582219258 939783311 /nfs/dbraw/zinc/78/33/11/939783311.db2.gz ZOUTVILWGIOQRQ-HIFRSBDPSA-N -1 0 332.425 3.633 20 0 EHADRM O=C([O-])[C@@H](NC(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl ZINC000582583179 939785699 /nfs/dbraw/zinc/78/56/99/939785699.db2.gz LSABJNZRXCKDDB-ZDUSSCGKSA-N -1 0 345.226 3.751 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccsc1C(F)F)C1CCCCCC1 ZINC000923112338 939785982 /nfs/dbraw/zinc/78/59/82/939785982.db2.gz XDBMFKZUPFVJPM-NSHDSACASA-N -1 0 331.384 3.839 20 0 EHADRM O=C([O-])[C@@H](NC(=O)NCc1csc2ccccc12)c1cccs1 ZINC000583849324 939793690 /nfs/dbraw/zinc/79/36/90/939793690.db2.gz DUMQRTZIPKAGHP-AWEZNQCLSA-N -1 0 346.433 3.588 20 0 EHADRM Cc1cc(C)cc([C@@H](NC(=O)N[C@H](C)c2ccsc2)C(=O)[O-])c1 ZINC000929033713 939795384 /nfs/dbraw/zinc/79/53/84/939795384.db2.gz IICZUIVAXWPMSU-IUODEOHRSA-N -1 0 332.425 3.551 20 0 EHADRM CCC[C@H](C(=O)N[C@@H](C(=O)[O-])c1cc(C)cc(C)c1)c1ccccn1 ZINC000630193050 939816976 /nfs/dbraw/zinc/81/69/76/939816976.db2.gz ZXDRXAWAUXGTEH-FUHWJXTLSA-N -1 0 340.423 3.524 20 0 EHADRM Cc1ccc([C@H](NC(=O)CC2CCC(F)(F)CC2)C(=O)[O-])cc1C ZINC000630203886 939818186 /nfs/dbraw/zinc/81/81/86/939818186.db2.gz MXRKNYADEGYWOP-INIZCTEOSA-N -1 0 339.382 3.761 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@H]1CCCC2(CC2)C1)c1ccc(Cl)c(F)c1 ZINC000659140507 939847759 /nfs/dbraw/zinc/84/77/59/939847759.db2.gz PTICDYMQFISRLE-SMDDNHRTSA-N -1 0 339.794 3.691 20 0 EHADRM COc1ccc([C@@H](NC(=O)c2cccc(C(C)C)c2)C(=O)[O-])cc1F ZINC000659160992 939848369 /nfs/dbraw/zinc/84/83/69/939848369.db2.gz NQHZVFSGJYSHQH-QGZVFWFLSA-N -1 0 345.370 3.513 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)c2ccc(Cl)cc2Cl)(C(=O)[O-])CC1 ZINC000659182142 939850375 /nfs/dbraw/zinc/85/03/75/939850375.db2.gz JTBABXYMHDUDOU-AZKDTHOKSA-N -1 0 330.211 3.757 20 0 EHADRM C[C@@H](NC(=O)[C@H](C(=O)[O-])C1CCCC1)c1c(F)cccc1Cl ZINC000663097820 939854523 /nfs/dbraw/zinc/85/45/23/939854523.db2.gz FKYYPYJQVFETGV-YMTOWFKASA-N -1 0 327.783 3.547 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000678987954 939869302 /nfs/dbraw/zinc/86/93/02/939869302.db2.gz VHOGCUZTSHUFGV-ORAYPTAESA-N -1 0 343.398 3.824 20 0 EHADRM O=C([O-])[C@]1(NC(=O)c2cccc(-c3ccoc3)c2)CCc2ccccc21 ZINC000683310201 939870720 /nfs/dbraw/zinc/87/07/20/939870720.db2.gz RHTCHMHGIIUMJL-NRFANRHFSA-N -1 0 347.370 3.603 20 0 EHADRM CN(C)c1ccc(Cl)cc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000321658115 970794139 /nfs/dbraw/zinc/79/41/39/970794139.db2.gz ROYICJRKALYXQL-UHFFFAOYSA-N -1 0 338.835 3.770 20 0 EHADRM C[C@@H]1c2ccsc2CCN1c1nc(C(F)(F)F)ccc1C(=O)[O-] ZINC000321681487 970797110 /nfs/dbraw/zinc/79/71/10/970797110.db2.gz NERBHAIEVTXDRO-MRVPVSSYSA-N -1 0 342.342 3.984 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)s1 ZINC000321750028 970803109 /nfs/dbraw/zinc/80/31/09/970803109.db2.gz XGLQOOXPWHIILZ-STQMWFEESA-N -1 0 338.473 3.650 20 0 EHADRM CCCCCC(C)(C)CNS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000321763714 970804009 /nfs/dbraw/zinc/80/40/09/970804009.db2.gz OHAKFLHNBCURME-UHFFFAOYSA-N -1 0 341.473 3.578 20 0 EHADRM Cc1cccc(OCCCNC(=O)Nc2cccc(C(=O)[O-])c2)c1C ZINC001600545346 970824806 /nfs/dbraw/zinc/82/48/06/970824806.db2.gz XYCRJJAHSDHLFD-UHFFFAOYSA-N -1 0 342.395 3.592 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)NCC3(C(=O)[O-])CCCCC3)cc2C1 ZINC000322050001 970840709 /nfs/dbraw/zinc/84/07/09/970840709.db2.gz KLHYOACGLLMVQE-GFCCVEGCSA-N -1 0 335.469 3.638 20 0 EHADRM Cc1nc2sc3c(c2c(N[C@H]2C[C@@H](C(=O)[O-])C2)n1)CCCCC3 ZINC001600718301 970852059 /nfs/dbraw/zinc/85/20/59/970852059.db2.gz RLHBJBZZQDGDGM-PHIMTYICSA-N -1 0 331.441 3.544 20 0 EHADRM C[C@@H]1CCC[C@@H](CNC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C1 ZINC000322261107 970863736 /nfs/dbraw/zinc/86/37/36/970863736.db2.gz PHLFXWCEZVQAPL-NXEZZACHSA-N -1 0 326.343 3.611 20 0 EHADRM CC[C@@H](NC(=O)Cc1ccccc1C(=O)[O-])c1cccc(Cl)c1 ZINC000322392621 970881459 /nfs/dbraw/zinc/88/14/59/970881459.db2.gz MUHJQDLEAFRCCN-MRXNPFEDSA-N -1 0 331.799 3.848 20 0 EHADRM CCCC[C@@H](CC)CNC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000322749586 970925405 /nfs/dbraw/zinc/92/54/05/970925405.db2.gz BSYMFHYXBFZSJP-HUUCEWRRSA-N -1 0 326.481 3.735 20 0 EHADRM CCc1ccc(NC(=O)[C@@H]2Cc3ccccc3S2)c(C(=O)[O-])c1 ZINC000323310598 970988479 /nfs/dbraw/zinc/98/84/79/970988479.db2.gz FPYYNGDDVICIRJ-INIZCTEOSA-N -1 0 327.405 3.603 20 0 EHADRM Cc1ccccc1N(CCC(=O)[O-])C(=O)c1cc(F)ccc1Cl ZINC000323673640 971027866 /nfs/dbraw/zinc/02/78/66/971027866.db2.gz CNRGMKIKDBIHRP-UHFFFAOYSA-N -1 0 335.762 3.909 20 0 EHADRM CC(C)c1ccc(OCC(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC000323918648 971057547 /nfs/dbraw/zinc/05/75/47/971057547.db2.gz ULZJXSMMYQUNDG-UHFFFAOYSA-N -1 0 327.380 3.550 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)[C@@H]1CCCc2sccc21 ZINC000323952244 971064918 /nfs/dbraw/zinc/06/49/18/971064918.db2.gz XHLWHQADKIAZID-HUUCEWRRSA-N -1 0 335.469 3.708 20 0 EHADRM CC(C)CCC[C@H](C)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000323971981 971068679 /nfs/dbraw/zinc/06/86/79/971068679.db2.gz INUPCMGUSXEPAV-JTQLQIEISA-N -1 0 328.359 3.999 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2cc(C(F)F)ccc2F)Cc2ccccc21 ZINC001601844788 971071789 /nfs/dbraw/zinc/07/17/89/971071789.db2.gz CYRZBUSKISBCHB-CQSZACIVSA-N -1 0 349.308 3.588 20 0 EHADRM CC1(C)CCCC[C@@H]1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000324118368 971086069 /nfs/dbraw/zinc/08/60/69/971086069.db2.gz PLBOUOMIMNBHIN-NSHDSACASA-N -1 0 326.343 3.753 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)[C@@H]2CCc3ccccc3C2)c1 ZINC000324128453 971087223 /nfs/dbraw/zinc/08/72/23/971087223.db2.gz VARQJQMJXLGKEQ-CYBMUJFWSA-N -1 0 329.783 3.782 20 0 EHADRM Cc1ccc(CCC(=O)N(CCC(=O)[O-])c2ccccc2C)cc1 ZINC000324164477 971091925 /nfs/dbraw/zinc/09/19/25/971091925.db2.gz CZSONESLDNWIDW-UHFFFAOYSA-N -1 0 325.408 3.744 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)N2CC[C@@H](c3ccccc3)C2)c1 ZINC000324294446 971105655 /nfs/dbraw/zinc/10/56/55/971105655.db2.gz UAUWOQSIWBFGGS-CQSZACIVSA-N -1 0 328.343 3.545 20 0 EHADRM CCCCc1ccc(C(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cc1 ZINC000324412521 971117063 /nfs/dbraw/zinc/11/70/63/971117063.db2.gz KUMJHDPFKNDUQR-MRXNPFEDSA-N -1 0 343.345 3.508 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000324441897 971120337 /nfs/dbraw/zinc/12/03/37/971120337.db2.gz DRAFNMHTXFBCSF-OAHLLOKOSA-N -1 0 328.343 3.723 20 0 EHADRM Cc1c(Cl)cccc1C(=O)N1C[C@H](C(=O)[O-])Cc2ccccc21 ZINC000324508349 971127181 /nfs/dbraw/zinc/12/71/81/971127181.db2.gz MTPVLOTZPXHVLP-CYBMUJFWSA-N -1 0 329.783 3.552 20 0 EHADRM Cc1ccc(SCCC(=O)Nc2cccc(OCC(=O)[O-])c2)cc1 ZINC000324587909 971136093 /nfs/dbraw/zinc/13/60/93/971136093.db2.gz ZMOFFYNXCHUVCF-UHFFFAOYSA-N -1 0 345.420 3.579 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)COc2c(C)cc(C)cc2C)s1 ZINC000324861912 971164526 /nfs/dbraw/zinc/16/45/26/971164526.db2.gz AOFDIIHBJALMOB-UHFFFAOYSA-N -1 0 347.436 3.951 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)c2cc3c(cccc3F)s2)cc1 ZINC000324867416 971165416 /nfs/dbraw/zinc/16/54/16/971165416.db2.gz JXFGROFZTBTTSA-UHFFFAOYSA-N -1 0 343.379 3.711 20 0 EHADRM C[C@@H]1CCc2c(C(=O)NCCc3ccccc3C(=O)[O-])csc2C1 ZINC000324930312 971170134 /nfs/dbraw/zinc/17/01/34/971170134.db2.gz NKRGEZIVBYMWGA-GFCCVEGCSA-N -1 0 343.448 3.544 20 0 EHADRM COc1ccc(CCC(=O)Nc2cccc(C(=O)[O-])c2C)cc1Cl ZINC000324933858 971171054 /nfs/dbraw/zinc/17/10/54/971171054.db2.gz VOTBXHSFUWJZRD-UHFFFAOYSA-N -1 0 347.798 3.927 20 0 EHADRM CCC1CCC(NC(=O)C2CCC(C(F)(F)F)CC2)(C(=O)[O-])CC1 ZINC000325230388 971196077 /nfs/dbraw/zinc/19/60/77/971196077.db2.gz DUVYSOZFRCAUNK-UHFFFAOYSA-N -1 0 349.393 3.895 20 0 EHADRM Cc1cc(F)ccc1CCNC(=O)Nc1ccc(C(=O)[O-])cc1C ZINC000325230079 971196256 /nfs/dbraw/zinc/19/62/56/971196256.db2.gz OOPNOKAMEFBITA-UHFFFAOYSA-N -1 0 330.359 3.505 20 0 EHADRM CCC(CC)n1ccc(CN2CCc3ccc(C(=O)[O-])cc3C2)n1 ZINC000325327976 971204865 /nfs/dbraw/zinc/20/48/65/971204865.db2.gz FJZPIVJIVVJYQA-UHFFFAOYSA-N -1 0 327.428 3.501 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)NC1CCCCCCC1)C2 ZINC000325765479 971241713 /nfs/dbraw/zinc/24/17/13/971241713.db2.gz JMPPTDWKYMLVOD-UHFFFAOYSA-N -1 0 330.428 3.565 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)C1CCC(C(F)(F)F)CC1)C2 ZINC000326367154 971285969 /nfs/dbraw/zinc/28/59/69/971285969.db2.gz UESSVIOZNXUSDI-UHFFFAOYSA-N -1 0 341.329 3.596 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)[C@@H]1CCCc2ccccc21 ZINC000326624621 971310415 /nfs/dbraw/zinc/31/04/15/971310415.db2.gz QOGDLINFIZSASL-QZTJIDSGSA-N -1 0 329.440 3.646 20 0 EHADRM CC(C)COc1ccc(C(=O)N(C)C2(C(=O)[O-])CCCCC2)cc1 ZINC000326734864 971322299 /nfs/dbraw/zinc/32/22/99/971322299.db2.gz GQWNSKJRXOTXOP-UHFFFAOYSA-N -1 0 333.428 3.581 20 0 EHADRM O=C([O-])c1ccc([N+](=O)[O-])c(OCc2cc(-c3cccs3)on2)c1 ZINC000326779509 971327027 /nfs/dbraw/zinc/32/70/27/971327027.db2.gz UAEGPEZMMXBJAZ-UHFFFAOYSA-N -1 0 346.320 3.589 20 0 EHADRM COc1cc(NC(=O)c2cc3c(s2)CCCCC3)ccc1C(=O)[O-] ZINC000326832123 971332374 /nfs/dbraw/zinc/33/23/74/971332374.db2.gz MERPYGILKXDEPS-UHFFFAOYSA-N -1 0 345.420 3.976 20 0 EHADRM COc1ccc([C@@H]2CCCN2C(=O)CC2(CC(=O)[O-])CCCC2)cc1 ZINC000326855182 971335571 /nfs/dbraw/zinc/33/55/71/971335571.db2.gz QZZTWBJZLVPGJJ-KRWDZBQOSA-N -1 0 345.439 3.784 20 0 EHADRM CC(C)(C)c1ccccc1C(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000327105783 971366289 /nfs/dbraw/zinc/36/62/89/971366289.db2.gz FJDFBFXETVWCKH-UHFFFAOYSA-N -1 0 337.419 3.881 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cnc3ccccc3c2)cc1 ZINC000327555318 971408925 /nfs/dbraw/zinc/40/89/25/971408925.db2.gz AUEPBCXMGBLWOZ-UHFFFAOYSA-N -1 0 334.375 3.849 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H]1NC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000327564703 971409308 /nfs/dbraw/zinc/40/93/08/971409308.db2.gz VAOCOUSEJGFMGM-DLBZAZTESA-N -1 0 340.379 3.854 20 0 EHADRM CC(C)CCN(C(=O)NCCc1ccc(C(=O)[O-])cc1)C1CCCC1 ZINC000327586988 971410200 /nfs/dbraw/zinc/41/02/00/971410200.db2.gz RMRBXOAVKXZSNP-UHFFFAOYSA-N -1 0 346.471 3.928 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2C[C@@H](C(=O)[O-])Cc3ccccc32)cc1 ZINC000327692283 971419636 /nfs/dbraw/zinc/41/96/36/971419636.db2.gz SVRQAAZNVAGXLJ-INIZCTEOSA-N -1 0 337.419 3.888 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)c1ccc(F)cc1Br ZINC000013261410 948780037 /nfs/dbraw/zinc/78/00/37/948780037.db2.gz FIEUXBORFIYKSY-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM CC[C@@H](NC(=O)N1CCC[C@@](CC)(C(=O)[O-])C1)c1ccc(C)cc1 ZINC001589564224 948841642 /nfs/dbraw/zinc/84/16/42/948841642.db2.gz ISMPZZHFQNNRPW-VQIMIIECSA-N -1 0 332.444 3.733 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)N(CC(=O)[O-])c1ccccc1 ZINC000337742448 971516233 /nfs/dbraw/zinc/51/62/33/971516233.db2.gz LXCDEBCTOMSUEX-HNNXBMFYSA-N -1 0 341.407 3.697 20 0 EHADRM COc1ccc([C@H](NC(=O)CC2(CC(=O)[O-])CCCC2)C(C)C)cc1 ZINC000342477590 971517371 /nfs/dbraw/zinc/51/73/71/971517371.db2.gz YMHIOXUZZXQQOQ-LJQANCHMSA-N -1 0 347.455 3.934 20 0 EHADRM CCCC[C@@H](NC(=O)C1(c2ccc(Cl)cc2)CCCC1)C(=O)[O-] ZINC000345202566 971518983 /nfs/dbraw/zinc/51/89/83/971518983.db2.gz BMSGCIMHGRLIGO-OAHLLOKOSA-N -1 0 337.847 3.911 20 0 EHADRM CCCC[C@H](NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000347254775 971522190 /nfs/dbraw/zinc/52/21/90/971522190.db2.gz BOJOQCRIGWNDJW-RISCZKNCSA-N -1 0 345.361 3.959 20 0 EHADRM O=C([O-])CN(Cc1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000347340136 971524159 /nfs/dbraw/zinc/52/41/59/971524159.db2.gz HDJOWBGNFTVFOA-UHFFFAOYSA-N -1 0 338.190 3.720 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)c3cccc(C(=O)[O-])n3)ccc21 ZINC000362499634 971535001 /nfs/dbraw/zinc/53/50/01/971535001.db2.gz PVFJCVRVJXRNGT-UHFFFAOYSA-N -1 0 337.379 3.643 20 0 EHADRM Cc1oc(CNC(=O)C(c2ccccc2)c2ccccc2)cc1C(=O)[O-] ZINC000362576426 971536422 /nfs/dbraw/zinc/53/64/22/971536422.db2.gz NUTUFZNDQPKBNC-UHFFFAOYSA-N -1 0 349.386 3.735 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC001589587435 949066846 /nfs/dbraw/zinc/06/68/46/949066846.db2.gz RQJNGZOZPYLCQG-HZPDHXFCSA-N -1 0 335.444 3.583 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)NCc2ccccc2CC(C)C)C1 ZINC001589597099 949163695 /nfs/dbraw/zinc/16/36/95/949163695.db2.gz AUKCEESWIQVVPQ-FQEVSTJZSA-N -1 0 346.471 3.672 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)o1 ZINC001595225164 949282770 /nfs/dbraw/zinc/28/27/70/949282770.db2.gz IDEPGXBAFLUNQV-WOLRVDTOSA-N -1 0 345.782 3.661 20 0 EHADRM Cc1cccc(NC(=O)c2cccc(C(=O)[O-])c2)c1Br ZINC000131932332 949295265 /nfs/dbraw/zinc/29/52/65/949295265.db2.gz BIVKKMGLNCRRFR-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM CCC1(CC)CCCN1C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001589612127 949330132 /nfs/dbraw/zinc/33/01/32/949330132.db2.gz GDVFSMYCPAZYTO-HOTGVXAUSA-N -1 0 330.428 3.664 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2CC[C@H]2c2ccc(Cl)cc2F)nc1 ZINC001595235455 949387673 /nfs/dbraw/zinc/38/76/73/949387673.db2.gz SCDGTOLAJYOJNU-WCQYABFASA-N -1 0 348.761 3.705 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)Cc1ccc(F)c(Cl)c1 ZINC001595238451 949428751 /nfs/dbraw/zinc/42/87/51/949428751.db2.gz VAQWPMOMSSBSIV-UHFFFAOYSA-N -1 0 347.773 3.699 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2nc(Cc3ccccc3)cs2)c1 ZINC001595241805 949464286 /nfs/dbraw/zinc/46/42/86/949464286.db2.gz COPVXNIDWSXWFG-UHFFFAOYSA-N -1 0 338.388 3.684 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2ccc(Cl)c3cccnc23)C1 ZINC000191208280 949506842 /nfs/dbraw/zinc/50/68/42/949506842.db2.gz LBHVEDKMMAJMDB-GFCCVEGCSA-N -1 0 346.814 3.605 20 0 EHADRM O=C([O-])c1cccc(NC(=O)[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)c1 ZINC001595249139 949535963 /nfs/dbraw/zinc/53/59/63/949535963.db2.gz XONVHFIEAJBAQG-OWCLPIDISA-N -1 0 327.767 3.563 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N2CCc3ccc(Cl)cc3C2)c1 ZINC001595249934 949547431 /nfs/dbraw/zinc/54/74/31/949547431.db2.gz UQTOJXRAICESRS-UHFFFAOYSA-N -1 0 330.771 3.628 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)c1ccccc1Oc1cccnc1 ZINC001595256486 949626105 /nfs/dbraw/zinc/62/61/05/949626105.db2.gz WURGMQCBBNTSOR-UHFFFAOYSA-N -1 0 348.358 3.502 20 0 EHADRM CCCC[C@H](CCC)NC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001589641572 949694344 /nfs/dbraw/zinc/69/43/44/949694344.db2.gz UZATVMBUCSXYFX-QFBILLFUSA-N -1 0 334.460 3.687 20 0 EHADRM CCCCCCO[C@H](C)C(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC001589645635 949730343 /nfs/dbraw/zinc/73/03/43/949730343.db2.gz LMYHUDTYDKTVSL-CQSZACIVSA-N -1 0 333.428 3.649 20 0 EHADRM CCCCCCO[C@@H](C)C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC001589645815 949732483 /nfs/dbraw/zinc/73/24/83/949732483.db2.gz SCVPPVGQNSKLBT-HOCLYGCPSA-N -1 0 333.428 3.577 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12 ZINC001595265085 949734965 /nfs/dbraw/zinc/73/49/65/949734965.db2.gz HDUFYPBBQQPIDH-YNEHKIRRSA-N -1 0 333.796 3.624 20 0 EHADRM CCCCCCOCC(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21 ZINC001589645934 949735150 /nfs/dbraw/zinc/73/51/50/949735150.db2.gz XZOFJDPRLNJLTQ-INIZCTEOSA-N -1 0 347.455 3.654 20 0 EHADRM CCCCCc1ccc(NC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)cc1 ZINC001589646821 949743534 /nfs/dbraw/zinc/74/35/34/949743534.db2.gz SKKUVLAPJASQIP-DOTOQJQBSA-N -1 0 333.428 3.628 20 0 EHADRM CCCCOc1ccc(CCNC(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC001589654800 949811252 /nfs/dbraw/zinc/81/12/52/949811252.db2.gz WIFWZIQKCIZDOB-UHFFFAOYSA-N -1 0 341.407 3.536 20 0 EHADRM CC(C)C[C@@H](NC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000236577596 949923801 /nfs/dbraw/zinc/92/38/01/949923801.db2.gz OREYSFHCBLADTK-FGTMMUONSA-N -1 0 325.408 3.559 20 0 EHADRM CC(C)CC(=O)Nc1ccc(NC(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000236639744 949928556 /nfs/dbraw/zinc/92/85/56/949928556.db2.gz SGVDJAWOVDCKAT-UHFFFAOYSA-N -1 0 340.379 3.622 20 0 EHADRM CCC(CC)(CNC(=O)c1ccc(OC2CCCC2)cc1)C(=O)[O-] ZINC000236891954 949941914 /nfs/dbraw/zinc/94/19/14/949941914.db2.gz LLHVKXVMWONKDA-UHFFFAOYSA-N -1 0 333.428 3.629 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)CC=CCC1 ZINC001595278154 949950607 /nfs/dbraw/zinc/95/06/07/949950607.db2.gz ICGVJDHCLRKVPM-NRFANRHFSA-N -1 0 349.386 3.667 20 0 EHADRM CN(CCC(=O)[O-])C(=O)c1ccccc1SCc1cccs1 ZINC000237232191 949957269 /nfs/dbraw/zinc/95/72/69/949957269.db2.gz HKSAJGRLAZYNKM-UHFFFAOYSA-N -1 0 335.450 3.587 20 0 EHADRM C[C@H]1CCc2c(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)csc2C1 ZINC000237612744 949968366 /nfs/dbraw/zinc/96/83/66/949968366.db2.gz SUPFUGOGGOMKCC-QWHCGFSZSA-N -1 0 335.469 3.590 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1 ZINC000238065209 949992635 /nfs/dbraw/zinc/99/26/35/949992635.db2.gz XSJRMNXEPZSKCZ-UHFFFAOYSA-N -1 0 348.402 3.675 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)NCc1ccccc1Sc1ccccc1 ZINC000261858059 950050899 /nfs/dbraw/zinc/05/08/99/950050899.db2.gz AAACZCHYMHLMPQ-HZPDHXFCSA-N -1 0 341.432 3.565 20 0 EHADRM CCCOc1ccc(COC(=O)[C@@]2(C(=O)[O-])CC=CCC2)c(C)c1 ZINC001589681624 950053796 /nfs/dbraw/zinc/05/37/96/950053796.db2.gz XDHQVJWGEQDMBE-IBGZPJMESA-N -1 0 332.396 3.638 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000262058724 950057864 /nfs/dbraw/zinc/05/78/64/950057864.db2.gz CSPGWBSMPZEXSG-SFHVURJKSA-N -1 0 341.407 3.667 20 0 EHADRM C[C@H](C(=O)[O-])c1noc(-c2cnc(-c3ccccc3Cl)s2)n1 ZINC001602822753 971636021 /nfs/dbraw/zinc/63/60/21/971636021.db2.gz HRANCPOPQZRRHC-ZETCQYMHSA-N -1 0 335.772 3.702 20 0 EHADRM C[C@H](C(=O)[O-])c1noc(-c2ccccc2COCc2ccccc2)n1 ZINC001602823695 971639043 /nfs/dbraw/zinc/63/90/43/971639043.db2.gz MTWMSJRMZSMFAD-ZDUSSCGKSA-N -1 0 338.363 3.642 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263025683 950220461 /nfs/dbraw/zinc/22/04/61/950220461.db2.gz ANYGEKZBFLSZTN-GXSJLCMTSA-N -1 0 344.333 3.588 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000263040423 950226992 /nfs/dbraw/zinc/22/69/92/950226992.db2.gz CFOXMNMGNMFXNK-RKDXNWHRSA-N -1 0 331.199 3.568 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc3c4c(cccc42)CC3)C1 ZINC000263048310 950231842 /nfs/dbraw/zinc/23/18/42/950231842.db2.gz DEVPKTOCJPRWMZ-SWLSCSKDSA-N -1 0 338.407 3.513 20 0 EHADRM CCN(C(=O)Nc1ccc(N2CCCCCC2)cc1C)[C@H](C)C(=O)[O-] ZINC001589706245 950290761 /nfs/dbraw/zinc/29/07/61/950290761.db2.gz FVKLJGUKCCIVHV-OAHLLOKOSA-N -1 0 347.459 3.702 20 0 EHADRM Cc1c(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)oc2c1c(C)ccc2C ZINC000263149565 950296399 /nfs/dbraw/zinc/29/63/99/950296399.db2.gz HIIQRDMZBFYIFQ-OCCSQVGLSA-N -1 0 329.396 3.683 20 0 EHADRM CC(C)(C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1)C(F)(F)F ZINC001602831037 971656007 /nfs/dbraw/zinc/65/60/07/971656007.db2.gz KAIMBTGLOSBMLA-UHFFFAOYSA-N -1 0 343.345 3.679 20 0 EHADRM CC(C)c1cccc(C(C)C)c1NC(=O)c1cnc(C(=O)[O-])cn1 ZINC000263314123 950363171 /nfs/dbraw/zinc/36/31/71/950363171.db2.gz YJZWDHICNJLHSY-UHFFFAOYSA-N -1 0 327.384 3.674 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263369743 950410885 /nfs/dbraw/zinc/41/08/85/950410885.db2.gz VADRRTLTFAHOFI-GXSJLCMTSA-N -1 0 335.400 3.532 20 0 EHADRM CCOC(=O)[C@]12CCC[C@@H]1C[C@@H](Nc1cccc(CCC(=O)[O-])c1)C2 ZINC001590180392 950876866 /nfs/dbraw/zinc/87/68/66/950876866.db2.gz ZYGXTEFUOGVUAR-MDYRTPRTSA-N -1 0 345.439 3.628 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1ccnc(Oc2ccccc2)c1 ZINC001602853290 971698804 /nfs/dbraw/zinc/69/88/04/971698804.db2.gz QKWFHUPDJGJTHD-OAHLLOKOSA-N -1 0 328.368 3.559 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Nc1c(F)cccc1Cl ZINC000318639448 950931792 /nfs/dbraw/zinc/93/17/92/950931792.db2.gz RIYIHQFMLPAMJF-JTQLQIEISA-N -1 0 328.771 3.730 20 0 EHADRM CC(C)C[C@H](CNC(=O)CCSc1ccc(F)cc1)CC(=O)[O-] ZINC000321718408 951018925 /nfs/dbraw/zinc/01/89/25/951018925.db2.gz WESWSJZWFROUFE-ZDUSSCGKSA-N -1 0 341.448 3.561 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1c1ccnc(-c2cccc(Cl)c2)n1 ZINC001594987339 951025065 /nfs/dbraw/zinc/02/50/65/951025065.db2.gz ZJUDPWSFKMAIFN-CQSZACIVSA-N -1 0 331.803 3.631 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@H]2CSc3ccccc32)c1 ZINC000322639469 951033122 /nfs/dbraw/zinc/03/31/22/951033122.db2.gz XNYWZIWBKANMJU-HNNXBMFYSA-N -1 0 327.405 3.532 20 0 EHADRM C[C@@H](c1ccccc1)n1c(SCC(=O)[O-])nnc1-c1ccccc1 ZINC000323850540 951053587 /nfs/dbraw/zinc/05/35/87/951053587.db2.gz MLCZQVRSVBRKKT-ZDUSSCGKSA-N -1 0 339.420 3.731 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000324098421 951060921 /nfs/dbraw/zinc/06/09/21/951060921.db2.gz KYPLMRHLEPMEOB-UHFFFAOYSA-N -1 0 327.311 3.509 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)Nc2ccc(Cl)c(F)c2)Cc2ccccc21 ZINC000325607411 951089593 /nfs/dbraw/zinc/08/95/93/951089593.db2.gz IPWXUVKBTRWSRX-CYBMUJFWSA-N -1 0 348.761 3.695 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)s1 ZINC000325724224 951091094 /nfs/dbraw/zinc/09/10/94/951091094.db2.gz NVYRIQQVQYHZPW-IUODEOHRSA-N -1 0 344.436 3.511 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1ccc(-n2ncc3ccccc32)cc1 ZINC000342544973 951131583 /nfs/dbraw/zinc/13/15/83/951131583.db2.gz KOGXFERAEKYOFB-UHFFFAOYSA-N -1 0 337.379 3.609 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)c3ccc(C(=O)[O-])nc3)ccc21 ZINC000342417299 951131712 /nfs/dbraw/zinc/13/17/12/951131712.db2.gz VYJPUBQNXCWONS-UHFFFAOYSA-N -1 0 337.379 3.643 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)Cc1ccc2c(c1)CCCC2)C(=O)[O-] ZINC001602861189 971718667 /nfs/dbraw/zinc/71/86/67/971718667.db2.gz MDBCHMIDHSLMCS-QGZVFWFLSA-N -1 0 331.456 3.504 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 ZINC000375609956 951152377 /nfs/dbraw/zinc/15/23/77/951152377.db2.gz COEYCUKPRPQPSN-ZIAGYGMSSA-N -1 0 331.318 3.681 20 0 EHADRM CC(C)C[C@@H](NC(=O)Nc1ccccc1SC(F)F)C(=O)[O-] ZINC000385842983 951286911 /nfs/dbraw/zinc/28/69/11/951286911.db2.gz AXUHTZLOCHUIAR-SNVBAGLBSA-N -1 0 332.372 3.622 20 0 EHADRM CCOc1ccc(CN2C[C@@H](CCC(=O)[O-])Cc3ccccc32)nc1 ZINC001592447917 951338310 /nfs/dbraw/zinc/33/83/10/951338310.db2.gz SFSYGLYFSHPKNP-HNNXBMFYSA-N -1 0 340.423 3.524 20 0 EHADRM O=C([O-])CCCC(=O)Nc1ccnc(Oc2ccccc2Cl)c1 ZINC001595028682 951361669 /nfs/dbraw/zinc/36/16/69/951361669.db2.gz JAUCQTQZNKYAIV-UHFFFAOYSA-N -1 0 334.759 3.721 20 0 EHADRM CCOc1ccc2ccccc2c1OC(=O)c1ccc(C(=O)[O-])nc1 ZINC001592815276 951365945 /nfs/dbraw/zinc/36/59/45/951365945.db2.gz GFVQTMREWSKSIC-UHFFFAOYSA-N -1 0 337.331 3.551 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1nc2c(s1)c(Cl)ccc2F ZINC001595034977 951395532 /nfs/dbraw/zinc/39/55/32/951395532.db2.gz UMTLNZFSACQXMT-UHFFFAOYSA-N -1 0 330.768 3.672 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cccc(C(F)(F)F)c2F)ccc1O ZINC000391849106 951407187 /nfs/dbraw/zinc/40/71/87/951407187.db2.gz KEAMPRAWHXDPLA-UHFFFAOYSA-N -1 0 343.232 3.501 20 0 EHADRM Cc1ccc(NC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)cc1C(F)(F)F ZINC000397078832 951516705 /nfs/dbraw/zinc/51/67/05/951516705.db2.gz GNGWRVYKHRSTSF-WDEREUQCSA-N -1 0 344.333 3.731 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@H]2CC[C@@H](C(F)(F)F)C2)c1 ZINC001595063221 951522636 /nfs/dbraw/zinc/52/26/36/951522636.db2.gz OVNXIRFCJHPRIP-NWDGAFQWSA-N -1 0 329.318 3.621 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@H]2C[C@]2(F)c2ccccc2)c1 ZINC001595063354 951524277 /nfs/dbraw/zinc/52/42/77/951524277.db2.gz RPSGGDJXNGINDB-APWZRJJASA-N -1 0 327.355 3.527 20 0 EHADRM O=C([O-])CCSCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC001595063967 951530826 /nfs/dbraw/zinc/53/08/26/951530826.db2.gz NHNRMRLAHAFSRM-UHFFFAOYSA-N -1 0 331.393 3.625 20 0 EHADRM O=C([O-])c1cnc(Oc2cc(F)c(Br)cc2Cl)cn1 ZINC000381716223 971772740 /nfs/dbraw/zinc/77/27/40/971772740.db2.gz HOHYJIMJZXPNJI-UHFFFAOYSA-N -1 0 347.527 3.522 20 0 EHADRM O=C([O-])COc1cccc(C(=O)O[C@@H]2CCCc3cc(F)ccc32)c1 ZINC001595123527 951987452 /nfs/dbraw/zinc/98/74/52/951987452.db2.gz GPKMOTGRYAEXKL-QGZVFWFLSA-N -1 0 344.338 3.524 20 0 EHADRM O=C([O-])COc1cccc(C(=O)O[C@@H]2CCSc3ccccc32)c1 ZINC001595123695 951989877 /nfs/dbraw/zinc/98/98/77/951989877.db2.gz NZLXQTNPADUWAQ-OAHLLOKOSA-N -1 0 344.388 3.544 20 0 EHADRM O=C([O-])COc1cccc(C(=O)OCc2csc3ccccc23)c1 ZINC001595124080 951996238 /nfs/dbraw/zinc/99/62/38/951996238.db2.gz XIYBYHQGKNTXEB-UHFFFAOYSA-N -1 0 342.372 3.722 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)Cc1c[nH]c2cccc(Cl)c12 ZINC001595135107 952049977 /nfs/dbraw/zinc/04/99/77/952049977.db2.gz WXCCRTWDGHBRAG-UHFFFAOYSA-N -1 0 342.782 3.630 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N[C@H]1CCCc2ccc(F)cc21 ZINC001595136587 952057345 /nfs/dbraw/zinc/05/73/45/952057345.db2.gz PLSBXEHLLSSUJG-KRWDZBQOSA-N -1 0 342.370 3.652 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)NCCCc1cccc(Cl)c1 ZINC001595136536 952057377 /nfs/dbraw/zinc/05/73/77/952057377.db2.gz LSPOQEJNBYAGSF-UHFFFAOYSA-N -1 0 346.814 3.721 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)[C@H]1CC2CCC1CC2 ZINC000382256040 971805586 /nfs/dbraw/zinc/80/55/86/971805586.db2.gz XNRXGBCPJQKUFS-MLCFOIATSA-N -1 0 334.391 3.860 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1ccc(Oc2ccncc2)c(Cl)c1 ZINC001595182264 952254253 /nfs/dbraw/zinc/25/42/53/952254253.db2.gz MPXWFESRGDJGKK-CHWSQXEVSA-N -1 0 346.770 3.577 20 0 EHADRM O=C([O-])[C@H]1CCCCN1C(=O)c1cc2ccccc2cc1OC(F)F ZINC001595193718 952295887 /nfs/dbraw/zinc/29/58/87/952295887.db2.gz YXDAJDNYZDPEAJ-CQSZACIVSA-N -1 0 349.333 3.521 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CCCC[C@H]2c2ccccc2)ccn1 ZINC001595209265 952355781 /nfs/dbraw/zinc/35/57/81/952355781.db2.gz YQJSAZRGPONXBN-INIZCTEOSA-N -1 0 325.368 3.539 20 0 EHADRM CC(C)(C)OCc1ccc(NC(=O)Nc2cc(C(=O)[O-])ccn2)cc1 ZINC001602916639 971873308 /nfs/dbraw/zinc/87/33/08/971873308.db2.gz IDNTXOGTXZRHBA-UHFFFAOYSA-N -1 0 343.383 3.739 20 0 EHADRM O=C([O-])c1cc(NC(=O)N(Cc2ccccc2)C2CC2)c(F)cc1F ZINC000383690094 971887234 /nfs/dbraw/zinc/88/72/34/971887234.db2.gz YLWARIQHAMSWMP-UHFFFAOYSA-N -1 0 346.333 3.860 20 0 EHADRM CC(C)(CNC(=O)[C@]1(C(=O)[O-])CC1(C)C)c1ccc2ccccc2c1 ZINC001602944242 971915032 /nfs/dbraw/zinc/91/50/32/971915032.db2.gz MIKSEUJSPJRRAV-NRFANRHFSA-N -1 0 339.435 3.735 20 0 EHADRM O=C([O-])C1(CNC(=O)N[C@@H]2CCC[C@@H](c3ccccc3)CC2)CCC1 ZINC001594742223 953366554 /nfs/dbraw/zinc/36/65/54/953366554.db2.gz UUXUDUUJFAUIJL-IAGOWNOFSA-N -1 0 344.455 3.657 20 0 EHADRM CC[C@@H](NC(=O)c1cccc(F)c1Sc1ccccc1)C(=O)[O-] ZINC001593605418 953430543 /nfs/dbraw/zinc/43/05/43/953430543.db2.gz PRVDHRLULLOJHG-CQSZACIVSA-N -1 0 333.384 3.570 20 0 EHADRM CCC(CC)(CNC(=O)[C@@H](C)c1ccc(C(=O)C(C)C)cc1)C(=O)[O-] ZINC000424257430 953439492 /nfs/dbraw/zinc/43/94/92/953439492.db2.gz WWNMMBPZARTGTK-AWEZNQCLSA-N -1 0 347.455 3.636 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC001594752084 953454258 /nfs/dbraw/zinc/45/42/58/953454258.db2.gz WEOZRMKUURUKID-XWTMOSNGSA-N -1 0 329.440 3.578 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1ccc(OCCC(C)C)cc1)C(=O)[O-] ZINC001593610164 953465458 /nfs/dbraw/zinc/46/54/58/953465458.db2.gz ZAULKBFLVTURPZ-BBRMVZONSA-N -1 0 336.432 3.732 20 0 EHADRM CCC(CC)(CNC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1)C(=O)[O-] ZINC000424435044 953486492 /nfs/dbraw/zinc/48/64/92/953486492.db2.gz URFYXSMEBWUDSE-HOCLYGCPSA-N -1 0 332.444 3.670 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)CCCc1ccc2ccccc2c1)C1CC1 ZINC000431460099 953501397 /nfs/dbraw/zinc/50/13/97/953501397.db2.gz VZWBSVVQHMDCTK-AWEZNQCLSA-N -1 0 325.408 3.627 20 0 EHADRM O=C([O-])CC1(NC(=O)CCCn2ccc3cc(Cl)ccc32)CCC1 ZINC000431651216 953502906 /nfs/dbraw/zinc/50/29/06/953502906.db2.gz ICNDXYANEKFGMV-UHFFFAOYSA-N -1 0 348.830 3.589 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000449006230 953508714 /nfs/dbraw/zinc/50/87/14/953508714.db2.gz YDCMWKQWKZWVDE-UAGQMJEPSA-N -1 0 347.455 3.537 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)C[C@@H]1C(=O)[O-] ZINC000515060814 953537795 /nfs/dbraw/zinc/53/77/95/953537795.db2.gz OPEXNVNZJQHRTG-FZMZJTMJSA-N -1 0 347.411 3.737 20 0 EHADRM Cc1ccc(-c2csc3ncnc(N4CC[C@@H](C(=O)[O-])C4)c23)cc1 ZINC000515519228 953539867 /nfs/dbraw/zinc/53/98/67/953539867.db2.gz BNXWNEGORVGXGA-CYBMUJFWSA-N -1 0 339.420 3.578 20 0 EHADRM CC(C)COc1ccc(CC(=O)NC2(CC(=O)[O-])CCCCC2)cc1 ZINC000532004438 953561333 /nfs/dbraw/zinc/56/13/33/953561333.db2.gz ALWIGCWCRACHAE-UHFFFAOYSA-N -1 0 347.455 3.558 20 0 EHADRM CCc1c(NC(=O)c2cccc(C(=O)[O-])c2)cnn1-c1ccccc1C ZINC001593627881 953568989 /nfs/dbraw/zinc/56/89/89/953568989.db2.gz VJYRAOQAYQLQEN-UHFFFAOYSA-N -1 0 349.390 3.694 20 0 EHADRM CC(C)(Oc1cccc(Cl)c1)C(=O)NCc1ccccc1C(=O)[O-] ZINC001602959212 971942399 /nfs/dbraw/zinc/94/23/99/971942399.db2.gz VPCRLNRGFWOFKG-UHFFFAOYSA-N -1 0 347.798 3.512 20 0 EHADRM CCc1ccc(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])cc1CC ZINC001593635348 953607459 /nfs/dbraw/zinc/60/74/59/953607459.db2.gz MUMYHNVMSPIGQA-IBGZPJMESA-N -1 0 337.419 3.636 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C[C@H](c2ccccc2)C1 ZINC001589291789 953610179 /nfs/dbraw/zinc/61/01/79/953610179.db2.gz TXKHVCYZRIZCCX-PFPDTZPXSA-N -1 0 329.440 3.576 20 0 EHADRM CCc1ccc([C@H]2CCN(C(=O)Cc3ccccc3C(=O)[O-])C2)cc1 ZINC001593636588 953610856 /nfs/dbraw/zinc/61/08/56/953610856.db2.gz DZKMNGWPEMWSEH-SFHVURJKSA-N -1 0 337.419 3.506 20 0 EHADRM CCc1ccc([C@H]2CCN(C(=O)c3coc(/C=C\C(=O)[O-])c3)C2)cc1 ZINC001593637281 953615870 /nfs/dbraw/zinc/61/58/70/953615870.db2.gz RBIOBOKJKZSANE-PTZVLDCSSA-N -1 0 339.391 3.570 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc(-c3ccco3)cc2F)C[C@@H]1C(=O)[O-] ZINC000565716459 953616591 /nfs/dbraw/zinc/61/65/91/953616591.db2.gz FYJPNOQCPLEYPV-YPMHNXCESA-N -1 0 346.358 3.660 20 0 EHADRM C[C@@H]1C[C@@H]1[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001589295065 953638878 /nfs/dbraw/zinc/63/88/78/953638878.db2.gz OOPKKWGZXJNFSZ-AJJFPUDKSA-N -1 0 335.831 3.654 20 0 EHADRM CCc1ccccc1OCCC(=O)Nc1c(C)cccc1C(=O)[O-] ZINC001593642396 953658644 /nfs/dbraw/zinc/65/86/44/953658644.db2.gz KYLRSWQKPLQGGX-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)C(c1ccccc1)c1ccccc1 ZINC001589299189 953679066 /nfs/dbraw/zinc/67/90/66/953679066.db2.gz IPUUCSDPALMYDP-CRAIPNDOSA-N -1 0 337.419 3.530 20 0 EHADRM CCOC(=O)c1cc2cc(NC(=O)CCCCC(=O)[O-])ccc2s1 ZINC000594458295 953762031 /nfs/dbraw/zinc/76/20/31/953762031.db2.gz VUJBOCZYFAHNIM-UHFFFAOYSA-N -1 0 349.408 3.662 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000630142113 953840830 /nfs/dbraw/zinc/84/08/30/953840830.db2.gz TVYLJUWDWCGGED-FQEVSTJZSA-N -1 0 339.391 3.724 20 0 EHADRM CCC(CC)(CNC(=O)CCc1ccc(C(F)F)cc1)C(=O)[O-] ZINC000630149967 953842059 /nfs/dbraw/zinc/84/20/59/953842059.db2.gz VBFWKDCAEVNZSR-UHFFFAOYSA-N -1 0 327.371 3.564 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])nc1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000630293831 953851043 /nfs/dbraw/zinc/85/10/43/953851043.db2.gz BJBSZJYCMXTSAY-SJLPKXTDSA-N -1 0 338.407 3.578 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000646145317 953925984 /nfs/dbraw/zinc/92/59/84/953925984.db2.gz GNDMJNHDNDUSIN-HNNXBMFYSA-N -1 0 346.471 3.639 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc3c(cccc3Cl)s2)C[C@@H]1C(=O)[O-] ZINC000647754753 953975497 /nfs/dbraw/zinc/97/54/97/953975497.db2.gz ANACPZCFHOYPRW-ONGXEEELSA-N -1 0 337.828 3.738 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1cc(Br)c2ccccc2c1)C1CC1 ZINC001594835300 954021720 /nfs/dbraw/zinc/02/17/20/954021720.db2.gz CXTPLPYYBKHNDC-AWEZNQCLSA-N -1 0 348.196 3.652 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2F)C[C@H]1C(=O)[O-] ZINC001589343258 954030025 /nfs/dbraw/zinc/03/00/25/954030025.db2.gz CBMBHFHXODKFMG-IONNQARKSA-N -1 0 349.189 3.707 20 0 EHADRM C[C@@H](C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000652056891 954034461 /nfs/dbraw/zinc/03/44/61/954034461.db2.gz LVLLKTLFSCWTQK-PXAZEXFGSA-N -1 0 343.810 3.654 20 0 EHADRM O=C([O-])[C@H](C(=O)O[C@H]1CCc2c1cc(Cl)cc2Cl)C1CC1 ZINC001594837918 954044444 /nfs/dbraw/zinc/04/44/44/954044444.db2.gz KAFNCQBKIBXTCS-QWHCGFSZSA-N -1 0 329.179 3.635 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2cc(C(F)(F)F)ccc2F)CC=CCC1 ZINC000653282311 954094019 /nfs/dbraw/zinc/09/40/19/954094019.db2.gz VEZMAIQLCCICGQ-AWEZNQCLSA-N -1 0 331.265 3.594 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC=CCC1 ZINC000653297914 954107313 /nfs/dbraw/zinc/10/73/13/954107313.db2.gz IRJCONZMPKYBMN-CQSZACIVSA-N -1 0 331.265 3.594 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000653340731 954173916 /nfs/dbraw/zinc/17/39/16/954173916.db2.gz PIZYGURTXKWBBD-ZWNOBZJWSA-N -1 0 331.334 3.521 20 0 EHADRM C[C@@H]1CN(C(=O)[C@H](C(=O)[O-])C2CCCC2)CCc2ccc(Cl)cc21 ZINC001589366006 954194666 /nfs/dbraw/zinc/19/46/66/954194666.db2.gz DZUXKFVMTWXXSS-SJKOYZFVSA-N -1 0 349.858 3.719 20 0 EHADRM CC(C)[C@@H](CNC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000655568710 954206866 /nfs/dbraw/zinc/20/68/66/954206866.db2.gz QSWZOXQFOLMWEE-SMDDNHRTSA-N -1 0 345.361 3.672 20 0 EHADRM C[C@@H](NC(=O)[C@]1(C)CCCc2ccccc21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655586414 954228748 /nfs/dbraw/zinc/22/87/48/954228748.db2.gz TUCPOUAEZLPQPT-CNPFDHCBSA-N -1 0 343.467 3.532 20 0 EHADRM CSCC1CCC(NC(=O)Nc2ccc(C(=O)[O-])cc2C)CC1 ZINC000385390264 971998062 /nfs/dbraw/zinc/99/80/62/971998062.db2.gz SFUCDSTWWKIBLM-UHFFFAOYSA-N -1 0 336.457 3.737 20 0 EHADRM CC(C)Oc1cccc(NC(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC000656603368 954303288 /nfs/dbraw/zinc/30/32/88/954303288.db2.gz HSVSEQYQBFZEQT-UHFFFAOYSA-N -1 0 334.416 3.583 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2ccc(-c3nccs3)cc2)CC=CCC1 ZINC001594869873 954342531 /nfs/dbraw/zinc/34/25/31/954342531.db2.gz MOFBSEQZTCSMCH-KRWDZBQOSA-N -1 0 328.393 3.560 20 0 EHADRM CC(C)C[C@H](CNC(=O)N(C)C[C@@H](C)c1ccccc1)CC(=O)[O-] ZINC000659418110 954342722 /nfs/dbraw/zinc/34/27/22/954342722.db2.gz YOFNURZPVNABOR-CVEARBPZSA-N -1 0 334.460 3.569 20 0 EHADRM CC(C)C(=O)c1ccc([C@H](C)C(=O)N(CC(=O)[O-])CC(C)(C)C)cc1 ZINC000659782382 954373115 /nfs/dbraw/zinc/37/31/15/954373115.db2.gz SQAVNCWIXOYTJK-AWEZNQCLSA-N -1 0 347.455 3.588 20 0 EHADRM CN(Cc1cc2ccccc2[nH]1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001593755371 954447609 /nfs/dbraw/zinc/44/76/09/954447609.db2.gz HNHNOYAKDDHJLC-UHFFFAOYSA-N -1 0 341.342 3.669 20 0 EHADRM O=C([O-])C1(c2noc([C@@H](F)c3ccc(C(F)(F)F)cc3)n2)CCC1 ZINC001594886586 954470226 /nfs/dbraw/zinc/47/02/26/954470226.db2.gz AWMYOSGCSZJTLS-JTQLQIEISA-N -1 0 344.264 3.654 20 0 EHADRM C[C@H]1CSc2ccccc2N1C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001589408834 954495521 /nfs/dbraw/zinc/49/55/21/954495521.db2.gz OWAFNSDATAKJDX-DVBBHNHCSA-N -1 0 329.377 3.518 20 0 EHADRM O=C([O-])CN(CC1CC1)C(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000675973419 954581383 /nfs/dbraw/zinc/58/13/83/954581383.db2.gz WUWYLGYMEUKEPZ-UHFFFAOYSA-N -1 0 345.345 3.569 20 0 EHADRM CC[C@@H](C(=O)N1CCCC[C@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001589426147 954622097 /nfs/dbraw/zinc/62/20/97/954622097.db2.gz FHSXWYWGXGXZHA-KGLIPLIRSA-N -1 0 343.345 3.665 20 0 EHADRM CC(C)[C@@]1(C)C[C@H]1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001602993284 972030057 /nfs/dbraw/zinc/03/00/57/972030057.db2.gz ILOGVCBWOWSCIB-MEBBXXQBSA-N -1 0 328.771 3.733 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC001589434005 954677077 /nfs/dbraw/zinc/67/70/77/954677077.db2.gz VLWTZOBCEROWHX-OALUTQOASA-N -1 0 339.435 3.725 20 0 EHADRM CCC(C)(C)C1CCC(NC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC001589448054 954784668 /nfs/dbraw/zinc/78/46/68/954784668.db2.gz WOCUPCLLHATTJG-SLTXQBBLSA-N -1 0 338.492 3.734 20 0 EHADRM CC(C)C1CCC(NC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)CC1 ZINC001602999082 972035690 /nfs/dbraw/zinc/03/56/90/972035690.db2.gz BRKZYXUXJJAAGW-LAGYLCCXSA-N -1 0 346.471 3.543 20 0 EHADRM CC(C)C[C@@H](C(=O)Nc1cc(C(=O)[O-])n[nH]1)c1ccc(Cl)cc1 ZINC001603002474 972045779 /nfs/dbraw/zinc/04/57/79/972045779.db2.gz SQNGJOJIAUVRIY-GFCCVEGCSA-N -1 0 335.791 3.530 20 0 EHADRM O=C([O-])[C@@H]1CCN(Cc2cnc([C@H]3CCCO3)s2)c2ccccc21 ZINC001594934027 954845002 /nfs/dbraw/zinc/84/50/02/954845002.db2.gz QUCXCTSBHGSPPV-GDBMZVCRSA-N -1 0 344.436 3.573 20 0 EHADRM CC[C@@H](C)[C@H](C)N(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1CC1 ZINC001589458012 954847167 /nfs/dbraw/zinc/84/71/67/954847167.db2.gz VTOVZNLQYLOZIV-ILXRZTDVSA-N -1 0 326.481 3.732 20 0 EHADRM O=C([O-])[C@@H]1CCN(Cc2ncc(C(F)(F)F)s2)c2ccccc21 ZINC001594935477 954857460 /nfs/dbraw/zinc/85/74/60/954857460.db2.gz YOVHBBSORGHDJL-SNVBAGLBSA-N -1 0 342.342 3.740 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2Cc3ccccc3S2)ccc1Cl ZINC000386373989 972049385 /nfs/dbraw/zinc/04/93/85/972049385.db2.gz GPCFUGFLYFPFLO-AWEZNQCLSA-N -1 0 333.796 3.694 20 0 EHADRM CC(C)C[C@H](CNC(=O)N[C@@H](c1ccccc1F)C(C)C)C(=O)[O-] ZINC001603012537 972067455 /nfs/dbraw/zinc/06/74/55/972067455.db2.gz UDKXIYUMIIYHSF-CZUORRHYSA-N -1 0 338.423 3.569 20 0 EHADRM CC(C)C[C@H](CNC(=O)NCC1(C)CCC(C)(C)CC1)C(=O)[O-] ZINC001603012533 972067542 /nfs/dbraw/zinc/06/75/42/972067542.db2.gz UBUSBWRDFZPEMT-CQSZACIVSA-N -1 0 326.481 3.639 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)Nc2ccc(F)c(C(F)F)c2)co1 ZINC001594969363 955089466 /nfs/dbraw/zinc/08/94/66/955089466.db2.gz WYWUXEXMIWIJNG-DUXPYHPUSA-N -1 0 325.242 3.706 20 0 EHADRM CC[C@@H](CNC(=O)N1CCCCC[C@H]1c1cccc(C)c1)C(=O)[O-] ZINC001589528417 955136595 /nfs/dbraw/zinc/13/65/95/955136595.db2.gz JROQURNIHRRJKF-RDJZCZTQSA-N -1 0 332.444 3.733 20 0 EHADRM CC(C)CCC[C@@H](C)NC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001603021549 972081119 /nfs/dbraw/zinc/08/11/19/972081119.db2.gz MPNVHLSCDABFKQ-BPQIPLTHSA-N -1 0 346.471 3.711 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccc(Cl)s1 ZINC000386896541 972088986 /nfs/dbraw/zinc/08/89/86/972088986.db2.gz BIGUYFUWWJYBAR-VIFPVBQESA-N -1 0 338.816 3.911 20 0 EHADRM C[C@H](CCCC(F)(F)F)NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001589013798 955408757 /nfs/dbraw/zinc/40/87/57/955408757.db2.gz CIWATYYCOPUQLJ-SNVBAGLBSA-N -1 0 332.322 3.556 20 0 EHADRM CC(C)CSCCNC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001603032858 972094232 /nfs/dbraw/zinc/09/42/32/972094232.db2.gz RDJQOKXDLFGTCM-UHFFFAOYSA-N -1 0 348.827 3.688 20 0 EHADRM CC(C)Cc1ccc(-c2csc(NC(=O)[C@@H](C)C(=O)[O-])n2)cc1 ZINC001603053978 972116960 /nfs/dbraw/zinc/11/69/60/972116960.db2.gz BWYJWVNFNBILLD-LLVKDONJSA-N -1 0 332.425 3.668 20 0 EHADRM CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCCC(=O)[O-] ZINC001603065568 972130657 /nfs/dbraw/zinc/13/06/57/972130657.db2.gz MQCVXNSJTXBLIY-UHFFFAOYSA-N -1 0 331.334 3.697 20 0 EHADRM C[C@@H](NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c1cccc(OC(F)(F)F)c1 ZINC000852951696 955875075 /nfs/dbraw/zinc/87/50/75/955875075.db2.gz FRUJWUYTDWGHOV-SKDRFNHKSA-N -1 0 347.333 3.509 20 0 EHADRM C[C@H](NC(=O)[C@]1(C(=O)[O-])CC1(C)C)C1(c2ccccc2)CCCC1 ZINC001589089040 955921367 /nfs/dbraw/zinc/92/13/67/955921367.db2.gz AARATYUSQPVRQZ-XOBRGWDASA-N -1 0 329.440 3.504 20 0 EHADRM C[C@@H](NC(=O)C1(C(=O)[O-])CCCCC1)c1ncc(-c2ccccc2)o1 ZINC001589090608 955933474 /nfs/dbraw/zinc/93/34/74/955933474.db2.gz VECHRQQWQXLHGR-CYBMUJFWSA-N -1 0 342.395 3.554 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000864119325 955947197 /nfs/dbraw/zinc/94/71/97/955947197.db2.gz AHNIFIPMPQRGER-HZPDHXFCSA-N -1 0 327.355 3.585 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000864121190 955948891 /nfs/dbraw/zinc/94/88/91/955948891.db2.gz RTLGBOUQJWRERL-LBXVMSDZSA-N -1 0 331.456 3.651 20 0 EHADRM CC1(C)C[C@@H](NC(=O)/C=C\c2ccc(C(=O)[O-])o2)c2ccccc21 ZINC000864143125 955964581 /nfs/dbraw/zinc/96/45/81/955964581.db2.gz BVGUSLMFXCWRBG-WKTRQSJXSA-N -1 0 325.364 3.530 20 0 EHADRM C[C@](Cc1ccccc1)(NC(=O)/C=C\c1ccc(C(=O)[O-])o1)C1CC1 ZINC000864153197 955970266 /nfs/dbraw/zinc/97/02/66/955970266.db2.gz AUKWUIFZQBDQPN-QXHGNLAOSA-N -1 0 339.391 3.519 20 0 EHADRM CC(C)CN(Cc1ccccc1)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000864159027 955971316 /nfs/dbraw/zinc/97/13/16/955971316.db2.gz UPUKQRTWWFATGS-PKNBQFBNSA-N -1 0 327.380 3.676 20 0 EHADRM C[C@@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1cccc(SC(F)(F)F)c1 ZINC001589114395 956081586 /nfs/dbraw/zinc/08/15/86/956081586.db2.gz LJLXYQWRGBVVQA-JFUSQASVSA-N -1 0 347.358 3.587 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1ccc(F)c2ccccc21 ZINC001589117660 956105947 /nfs/dbraw/zinc/10/59/47/956105947.db2.gz OSRTXZANZJNSTQ-LLVKDONJSA-N -1 0 338.338 3.563 20 0 EHADRM CC[C@@H]1c2ccsc2CCN1C(=O)NCc1ccccc1C(=O)[O-] ZINC000874409416 956181481 /nfs/dbraw/zinc/18/14/81/956181481.db2.gz KGUYTNZKHPQOML-OAHLLOKOSA-N -1 0 344.436 3.665 20 0 EHADRM C[C@H](Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1)C(=O)[O-] ZINC001589137352 956238216 /nfs/dbraw/zinc/23/82/16/956238216.db2.gz XXZWBWHQGYWPIE-VIFPVBQESA-N -1 0 336.750 3.616 20 0 EHADRM CO[C@@H](CC(C)C)C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001593938158 956243591 /nfs/dbraw/zinc/24/35/91/956243591.db2.gz KHTNUNOFUVIUKY-JQWIXIFHSA-N -1 0 339.457 3.571 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000899311968 956283024 /nfs/dbraw/zinc/28/30/24/956283024.db2.gz UWUSKNGBNKKKIN-CZUORRHYSA-N -1 0 334.416 3.645 20 0 EHADRM C[C@H](OC(=O)[C@@]1(C(=O)[O-])CC=CCC1)c1ccc(C(F)(F)F)cn1 ZINC001589159106 956391698 /nfs/dbraw/zinc/39/16/98/956391698.db2.gz QZBBMBZNTKGSEM-BONVTDFDSA-N -1 0 343.301 3.516 20 0 EHADRM CC(C)c1cccc(O[C@H](C)C(=O)NCc2ccccc2C(=O)[O-])c1 ZINC001589167711 956435124 /nfs/dbraw/zinc/43/51/24/956435124.db2.gz TZHDNMKISHQYQA-CQSZACIVSA-N -1 0 341.407 3.592 20 0 EHADRM C[C@@H](Oc1ccccc1NC(=O)CCCCC(=O)[O-])C(F)(F)F ZINC001589169248 956455814 /nfs/dbraw/zinc/45/58/14/956455814.db2.gz YAEGOTPWKACMRT-SNVBAGLBSA-N -1 0 333.306 3.600 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)co1 ZINC000901882551 956516280 /nfs/dbraw/zinc/51/62/80/956516280.db2.gz MGUAXNXYQXKRAE-CMDGGOBGSA-N -1 0 340.379 3.620 20 0 EHADRM O=C(/C=C/c1ccc(C(=O)[O-])o1)Oc1ccc(OC2CCC2)cc1 ZINC001594674705 956649508 /nfs/dbraw/zinc/64/95/08/956649508.db2.gz SHZUJTBTZDJBDY-PKNBQFBNSA-N -1 0 328.320 3.528 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NCC1(c2cccc(Cl)c2)CC1 ZINC001589204696 956656381 /nfs/dbraw/zinc/65/63/81/956656381.db2.gz MCEGBMSYGZBDMC-UHFFFAOYSA-N -1 0 349.858 3.625 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)CCCOc1ccc2c(c1)CCC2 ZINC001594681953 956697401 /nfs/dbraw/zinc/69/74/01/956697401.db2.gz IEBCZCOQEZXTAA-UHFFFAOYSA-N -1 0 345.420 3.733 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CCOc1ccc2ccccc2c1)c1ccccc1 ZINC001594688034 956724101 /nfs/dbraw/zinc/72/41/01/956724101.db2.gz BYVXREPOLUJAPN-FQEVSTJZSA-N -1 0 349.386 3.551 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)O[C@H]1CCc2c1cccc2OCC1CC1 ZINC001589217675 956737992 /nfs/dbraw/zinc/73/79/92/956737992.db2.gz KVZJFIBTFYMODD-OXJNMPFZSA-N -1 0 344.407 3.507 20 0 EHADRM CC1(C)CC[C@H](NC(=O)Nc2cccnc2C(=O)[O-])c2ccccc21 ZINC001589223536 956779936 /nfs/dbraw/zinc/77/99/36/956779936.db2.gz AVACSFFFAUJWJG-AWEZNQCLSA-N -1 0 339.395 3.714 20 0 EHADRM CC1(C)CC[C@H](NC(=O)[C@H]2CC[C@H]2C(=O)[O-])[C@H](c2ccccc2)C1 ZINC001589225300 956788524 /nfs/dbraw/zinc/78/85/24/956788524.db2.gz WMPNWZFXHPIRSO-YVSFHVDLSA-N -1 0 329.440 3.576 20 0 EHADRM O=C([O-])CC[C@H]1Cc2ccccc2N(C(=O)c2cccc(F)c2)C1 ZINC000902830429 956820066 /nfs/dbraw/zinc/82/00/66/956820066.db2.gz NQVWSDHVDXQEFL-ZDUSSCGKSA-N -1 0 327.355 3.510 20 0 EHADRM Cc1ccc(-c2nnc(S[C@@H](C(=O)[O-])c3ccccc3)o2)cc1 ZINC000012179117 956904048 /nfs/dbraw/zinc/90/40/48/956904048.db2.gz ASWZGGFYYBAKGY-CQSZACIVSA-N -1 0 326.377 3.963 20 0 EHADRM O=C([O-])c1ccc(OCc2ncc(-c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000013054348 956919133 /nfs/dbraw/zinc/91/91/33/956919133.db2.gz ACFQDHKCYMIXNU-UHFFFAOYSA-N -1 0 340.291 3.527 20 0 EHADRM Cc1cccc(C)c1OCC(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000013187885 956972704 /nfs/dbraw/zinc/97/27/04/956972704.db2.gz NAXGNMIFMOHRGE-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)c1csc(-c2ccco2)n1 ZINC000389503407 972230812 /nfs/dbraw/zinc/23/08/12/972230812.db2.gz XCCFTDROUSPLIG-UHFFFAOYSA-N -1 0 334.378 3.724 20 0 EHADRM CC(C)(C)Cc1ncc(C(=O)Nc2cccc(CC(=O)[O-])c2)s1 ZINC000907608443 956977011 /nfs/dbraw/zinc/97/70/11/956977011.db2.gz HFVZARNXKHIXHH-UHFFFAOYSA-N -1 0 332.425 3.611 20 0 EHADRM C[C@@H](c1ccc(C(=O)NC2CCC(C(=O)[O-])CC2)cc1)C(F)(F)F ZINC000909158025 957005829 /nfs/dbraw/zinc/00/58/29/957005829.db2.gz VDQAPVWCCJNASV-FNBIGBAISA-N -1 0 343.345 3.726 20 0 EHADRM O=C([O-])C1(NC(=O)/C(F)=C/c2ccc(C(F)(F)F)cc2)CCCC1 ZINC001594726578 957010899 /nfs/dbraw/zinc/01/08/99/957010899.db2.gz HDHXKVUAESITCG-XFXZXTDPSA-N -1 0 345.292 3.529 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)c2ccc(F)cc2Cl)c2ccccc21 ZINC001594727763 957020647 /nfs/dbraw/zinc/02/06/47/957020647.db2.gz UXMCFEVAKHOLNB-DZGCQCFKSA-N -1 0 333.746 3.522 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(COC(C)C)cc1 ZINC000013391339 957047866 /nfs/dbraw/zinc/04/78/66/957047866.db2.gz GCNCZAGZACQEEK-UHFFFAOYSA-N -1 0 327.380 3.871 20 0 EHADRM CC(C)(C)OCc1ccccc1C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000911464434 957073073 /nfs/dbraw/zinc/07/30/73/957073073.db2.gz PIYWBDVVJFSMPT-UHFFFAOYSA-N -1 0 343.379 3.658 20 0 EHADRM Cc1cccc(CSCC(=O)N(C)c2ccccc2C(=O)[O-])c1 ZINC000013440563 957078644 /nfs/dbraw/zinc/07/86/44/957078644.db2.gz NYZYQIUGIOMQEM-UHFFFAOYSA-N -1 0 329.421 3.589 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N(C)Cc3ccccc3)c12 ZINC000020327917 957136769 /nfs/dbraw/zinc/13/67/69/957136769.db2.gz AUIZBTXXXJEBMD-UHFFFAOYSA-N -1 0 327.409 3.643 20 0 EHADRM COc1cc(CSc2ncccc2C(=O)[O-])ccc1OC(F)F ZINC000390409376 972282332 /nfs/dbraw/zinc/28/23/32/972282332.db2.gz KPGMSBQVTMHXCO-UHFFFAOYSA-N -1 0 341.335 3.682 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N[C@@H]1CCCc2c(F)cccc21 ZINC001574738611 957680391 /nfs/dbraw/zinc/68/03/91/957680391.db2.gz VFGMOPLTFNODBV-QGZVFWFLSA-N -1 0 342.370 3.652 20 0 EHADRM Cc1[nH]nc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)c1-c1ccccc1 ZINC001594288398 957797998 /nfs/dbraw/zinc/79/79/98/957797998.db2.gz NZUILWJTGMUGME-UHFFFAOYSA-N -1 0 335.363 3.644 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2ccc3ccc(Cl)nc3n2)c1 ZINC001594288758 957802385 /nfs/dbraw/zinc/80/23/85/957802385.db2.gz HSRNHGXJULGTRS-UHFFFAOYSA-N -1 0 341.754 3.542 20 0 EHADRM CON(C(=O)c1ccc(Sc2ccccc2C)cc1)[C@H](C)C(=O)[O-] ZINC001594040235 957861021 /nfs/dbraw/zinc/86/10/21/957861021.db2.gz UZZXOULPUCTQQL-CYBMUJFWSA-N -1 0 345.420 3.623 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2cc(F)ccc2s1)C1CCCCC1 ZINC000390884506 972305979 /nfs/dbraw/zinc/30/59/79/972305979.db2.gz HJLZLKUFNMPLCU-HNNXBMFYSA-N -1 0 335.400 3.804 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CCC[C@H]1c1ccc(F)cc1F ZINC001574811007 957878594 /nfs/dbraw/zinc/87/85/94/957878594.db2.gz SUBAIJSFAFHKAX-KRWDZBQOSA-N -1 0 345.345 3.569 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)N1CCCC[C@@H]1CC1CCC1 ZINC001574815365 957888189 /nfs/dbraw/zinc/88/81/89/957888189.db2.gz QTDCSVMHHXBBSZ-MRXNPFEDSA-N -1 0 330.428 3.639 20 0 EHADRM CON(Cc1ccccc1Cl)C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001594043743 957902737 /nfs/dbraw/zinc/90/27/37/957902737.db2.gz KOMSRAXBEXPVRR-UHFFFAOYSA-N -1 0 333.771 3.550 20 0 EHADRM Cc1cc(NC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cc(C(F)(F)F)c1 ZINC001594317758 958088367 /nfs/dbraw/zinc/08/83/67/958088367.db2.gz BUJFXOAIVDFMJU-MNOVXSKESA-N -1 0 344.333 3.588 20 0 EHADRM Cc1cc(NC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)ccc1C(F)(F)F ZINC001594318162 958093994 /nfs/dbraw/zinc/09/39/94/958093994.db2.gz JNRBKHRTLUFZFP-WDEREUQCSA-N -1 0 344.333 3.731 20 0 EHADRM Cc1cc(NC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)ccc1C(F)(F)F ZINC001594318160 958094626 /nfs/dbraw/zinc/09/46/26/958094626.db2.gz JNRBKHRTLUFZFP-MNOVXSKESA-N -1 0 344.333 3.731 20 0 EHADRM CC[C@@H](CSC)N(C)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000391154005 972320758 /nfs/dbraw/zinc/32/07/58/972320758.db2.gz XYFUAOFMDLAYFC-AWEZNQCLSA-N -1 0 338.473 3.654 20 0 EHADRM Cc1cc(NC(=O)N[C@](C)(C2CC2)C(F)(F)F)ccc1C(=O)[O-] ZINC001594319916 958117617 /nfs/dbraw/zinc/11/76/17/958117617.db2.gz HMDMDRVVBYIFAC-CQSZACIVSA-N -1 0 330.306 3.546 20 0 EHADRM Cc1cc(NC(=O)Nc2cc(C3CCCC3)[nH]n2)ccc1C(=O)[O-] ZINC001594323110 958137912 /nfs/dbraw/zinc/13/79/12/958137912.db2.gz CGQVFKNOKCSBKG-UHFFFAOYSA-N -1 0 328.372 3.718 20 0 EHADRM Cc1cc(NC(=O)c2cccc(OCC(=O)[O-])c2)ccc1C1CC1 ZINC001594325460 958165364 /nfs/dbraw/zinc/16/53/64/958165364.db2.gz FLFPRTOTMTUPDN-UHFFFAOYSA-N -1 0 325.364 3.588 20 0 EHADRM COc1ccc(C(=O)N2CCCc3cc(C(=O)[O-])ccc32)c(Cl)c1 ZINC001594078211 958235682 /nfs/dbraw/zinc/23/56/82/958235682.db2.gz DIVVHEZWILMPBW-UHFFFAOYSA-N -1 0 345.782 3.640 20 0 EHADRM COc1ccc(C)cc1[C@@H](C)NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001594082660 958281216 /nfs/dbraw/zinc/28/12/16/958281216.db2.gz PVNFAXGWPGZZKW-GFCCVEGCSA-N -1 0 328.368 3.585 20 0 EHADRM COc1ccc(C)cc1[C@H](C)OC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001594084041 958297766 /nfs/dbraw/zinc/29/77/66/958297766.db2.gz IOGARUSGSILKHL-HWPRWLFBSA-N -1 0 330.336 3.612 20 0 EHADRM Cc1ccc(C)c(OCCCCC(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])c1 ZINC001594352386 958375740 /nfs/dbraw/zinc/37/57/40/958375740.db2.gz XIIVPBQLHBUVDO-APWZRJJASA-N -1 0 347.455 3.564 20 0 EHADRM Cc1ccc(C2CCN(C(=O)C3(C(=O)[O-])CCCCCC3)CC2)cn1 ZINC001594354325 958399464 /nfs/dbraw/zinc/39/94/64/958399464.db2.gz RKVYRKIYELVTDT-UHFFFAOYSA-N -1 0 344.455 3.521 20 0 EHADRM Cc1ccc(CN(C(=O)Nc2cncc(C(=O)[O-])c2)C2CC2)cc1C ZINC001594358776 958429065 /nfs/dbraw/zinc/42/90/65/958429065.db2.gz IAFILBNEPPQKFZ-UHFFFAOYSA-N -1 0 339.395 3.593 20 0 EHADRM COc1ccc(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)c2ccccc12 ZINC001594101517 958438578 /nfs/dbraw/zinc/43/85/78/958438578.db2.gz CNPKBLVVRFXGSM-KRWDZBQOSA-N -1 0 327.380 3.678 20 0 EHADRM O=C([O-])[C@]1(C(F)(F)F)CCN(Cc2c(Cl)cccc2Cl)C1 ZINC000113388341 958445404 /nfs/dbraw/zinc/44/54/04/958445404.db2.gz HDQGIYLQBNZCHV-LBPRGKRZSA-N -1 0 342.144 3.832 20 0 EHADRM COc1ccc(S[C@@H](C)C(=O)OCc2ccc(C(=O)[O-])cc2)cc1 ZINC001594111884 958514486 /nfs/dbraw/zinc/51/44/86/958514486.db2.gz GXWQBFZJGCJXQE-LBPRGKRZSA-N -1 0 346.404 3.617 20 0 EHADRM COc1ccc2cc(COC(=O)[C@H](C(=O)[O-])C(C)(C)C)ccc2c1 ZINC001594118281 958577052 /nfs/dbraw/zinc/57/70/52/958577052.db2.gz JOBRQFPONUEMPI-INIZCTEOSA-N -1 0 330.380 3.639 20 0 EHADRM C/C(=C\C(=O)Nc1sc2c(c1C(=O)[O-])COCC2)c1cccs1 ZINC001588482090 958598826 /nfs/dbraw/zinc/59/88/26/958598826.db2.gz SDEBZMTXDGYLBG-VQHVLOKHSA-N -1 0 349.433 3.623 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N3CC[C@@H](C(=O)[O-])c4ccccc43)cc2c1 ZINC001594381034 958619837 /nfs/dbraw/zinc/61/98/37/958619837.db2.gz CFSLMJGIDTYIFI-OAHLLOKOSA-N -1 0 334.375 3.695 20 0 EHADRM COc1cccc(C[C@H](C)CC(=O)NC2(C(=O)[O-])CCCCCC2)c1 ZINC001594126631 958642572 /nfs/dbraw/zinc/64/25/72/958642572.db2.gz RJXBKSIUOUUCSD-HNNXBMFYSA-N -1 0 347.455 3.558 20 0 EHADRM COc1cccc(CN(CC(C)C)C(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC001594128591 958651878 /nfs/dbraw/zinc/65/18/78/958651878.db2.gz ZGNAMWACDOPCFQ-UHFFFAOYSA-N -1 0 341.407 3.692 20 0 EHADRM COc1cccc(N(CC(C)C)C(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC001594130741 958662884 /nfs/dbraw/zinc/66/28/84/958662884.db2.gz SBVWIBBUGFJIBS-UHFFFAOYSA-N -1 0 327.380 3.696 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)OCc1cncc(-c2ccsc2)c1 ZINC001573389153 958682967 /nfs/dbraw/zinc/68/29/67/958682967.db2.gz AQKYVWSODKJXCI-CQSZACIVSA-N -1 0 333.409 3.600 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)OCc1cnc(-c2ccccc2)s1 ZINC001573389155 958683479 /nfs/dbraw/zinc/68/34/79/958683479.db2.gz ARHNQPFGSTXPBL-ZDUSSCGKSA-N -1 0 333.409 3.600 20 0 EHADRM Cc1ccc(NC(=O)CCc2ccc([C@@H]3C[C@@H]3C)o2)c(C(=O)[O-])c1 ZINC000391776892 972370281 /nfs/dbraw/zinc/37/02/81/972370281.db2.gz NVFIOJAFNWKHGO-GXTWGEPZSA-N -1 0 327.380 3.981 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)NCc2ccc(Cl)cc2)c1F ZINC000391778603 972371170 /nfs/dbraw/zinc/37/11/70/972371170.db2.gz PEMLNRFYZZWVBC-UHFFFAOYSA-N -1 0 340.713 3.638 20 0 EHADRM Cc1cccc([C@@H](NC(=O)Nc2nc(C(C)C)cs2)C(=O)[O-])c1 ZINC001594392594 958743735 /nfs/dbraw/zinc/74/37/35/958743735.db2.gz HXBIMWXUNRBPJZ-CYBMUJFWSA-N -1 0 333.413 3.522 20 0 EHADRM Cc1cccc([C@@H](NC(=O)Nc2ccc(Cl)cc2F)C(=O)[O-])c1 ZINC001594397937 958791441 /nfs/dbraw/zinc/79/14/41/958791441.db2.gz PNLPRECAHHUTGE-CQSZACIVSA-N -1 0 336.750 3.735 20 0 EHADRM CC(C)(C)OC(=O)N[C@@H]1c2ccccc2N(CCCC(=O)[O-])C1(C)C ZINC001573447945 958847753 /nfs/dbraw/zinc/84/77/53/958847753.db2.gz QEQFKBUVNOYBDH-MRXNPFEDSA-N -1 0 348.443 3.716 20 0 EHADRM Cc1cccc(OCC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)c1 ZINC001594408516 958923819 /nfs/dbraw/zinc/92/38/19/958923819.db2.gz MNTUGYLYDACITN-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM Cc1cccc(Oc2cccc(NC(=O)NC[C@@H](C)C(=O)[O-])c2)c1 ZINC001594409570 958937302 /nfs/dbraw/zinc/93/73/02/958937302.db2.gz ISYLUKIVBNECJM-CYBMUJFWSA-N -1 0 328.368 3.630 20 0 EHADRM Cc1cccc2cc(C(=O)N3C[C@@H](C(=O)[O-])CC[C@@H]3C)c(Cl)nc12 ZINC001594412371 958956077 /nfs/dbraw/zinc/95/60/77/958956077.db2.gz CZUVVMPHPDOQIJ-AAEUAGOBSA-N -1 0 346.814 3.522 20 0 EHADRM CC(C)[C@@H](CCc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001573489196 958993207 /nfs/dbraw/zinc/99/32/07/958993207.db2.gz AKAUOSRRNKDYOZ-MRXNPFEDSA-N -1 0 326.396 3.623 20 0 EHADRM CC(C)[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)C1CC1 ZINC001573498716 959043603 /nfs/dbraw/zinc/04/36/03/959043603.db2.gz GCSYTUKGYXEEAK-CYBMUJFWSA-N -1 0 328.771 3.733 20 0 EHADRM CC(C)C[C@H](CNC(=O)CCc1ccc(F)c2c1CCCC2)C(=O)[O-] ZINC001573509923 959089071 /nfs/dbraw/zinc/08/90/71/959089071.db2.gz WPCMQLCDFNVSMD-OAHLLOKOSA-N -1 0 349.446 3.500 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N(C)Cc1ccc(C(C)C)cc1)C(=O)[O-] ZINC001573509967 959090625 /nfs/dbraw/zinc/09/06/25/959090625.db2.gz YMRBMGITVQUEIY-KRWDZBQOSA-N -1 0 334.460 3.698 20 0 EHADRM CC(C)CC[C@@H]1CCCCN1C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC001573516745 959102116 /nfs/dbraw/zinc/10/21/16/959102116.db2.gz GOYLVNRDHDJDQL-HOTGVXAUSA-N -1 0 326.481 3.734 20 0 EHADRM CC(C)C[C@H](NC(=O)/C=C/c1ccc(F)c2ccccc12)C(=O)[O-] ZINC001573536642 959171999 /nfs/dbraw/zinc/17/19/99/959171999.db2.gz BWZKLLGOGQGNPJ-VMSUTVGLSA-N -1 0 329.371 3.608 20 0 EHADRM CCC(CC)(C(=O)[O-])c1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000392083561 972407909 /nfs/dbraw/zinc/40/79/09/972407909.db2.gz DZTBCIOPPAVNPP-UHFFFAOYSA-N -1 0 335.425 3.970 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)c1ccc2c(c1)CCC2 ZINC001594203891 959263104 /nfs/dbraw/zinc/26/31/04/959263104.db2.gz QOUZSGUZKWVKIQ-CYBMUJFWSA-N -1 0 338.407 3.685 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)C1CC1 ZINC001588589063 959331006 /nfs/dbraw/zinc/33/10/06/959331006.db2.gz DBQOYHNUTBMUJX-ZETCQYMHSA-N -1 0 341.194 3.552 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@H](C)[C@@H]1C(=O)[O-])Cc1ccc(Cl)cc1 ZINC001573576993 959335145 /nfs/dbraw/zinc/33/51/45/959335145.db2.gz SADVRRZGJJHNMB-GDZNZVCISA-N -1 0 337.847 3.620 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCc1nc(-c2ccccc2)oc1C ZINC000167783873 959361803 /nfs/dbraw/zinc/36/18/03/959361803.db2.gz CHSLQCBUTAKOLU-UHFFFAOYSA-N -1 0 339.347 3.936 20 0 EHADRM Cc1nc(C2CCCCC2)sc1C(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC001594451695 959380197 /nfs/dbraw/zinc/38/01/97/959380197.db2.gz LCAXBCNEASXRQD-NSHDSACASA-N -1 0 336.457 3.577 20 0 EHADRM O=C([O-])c1coc(C(=O)NCC(c2ccccc2)c2ccccc2)c1 ZINC000183753107 959447213 /nfs/dbraw/zinc/44/72/13/959447213.db2.gz BJPMIBCOUCSFTL-UHFFFAOYSA-N -1 0 335.359 3.540 20 0 EHADRM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)c1cc(C(=O)[O-])co1 ZINC000183797655 959451031 /nfs/dbraw/zinc/45/10/31/959451031.db2.gz AAYITVLAFCEQCG-CYBMUJFWSA-N -1 0 327.380 3.981 20 0 EHADRM C[C@H](NC(=O)[C@@H](C(=O)[O-])C1CCCC1)c1ccc2c(c1)CCCC2 ZINC001594232900 959482225 /nfs/dbraw/zinc/48/22/25/959482225.db2.gz BMBXHQIUMJXMCP-UGSOOPFHSA-N -1 0 329.440 3.634 20 0 EHADRM Cc1nc2ccc(NC(=O)N3CCC[C@@H](CCC(=O)[O-])C3)cc2s1 ZINC001594464215 959491986 /nfs/dbraw/zinc/49/19/86/959491986.db2.gz LLIOSYCURANHQZ-LBPRGKRZSA-N -1 0 347.440 3.713 20 0 EHADRM CC(C)Oc1ccc(NC(=O)CC(C)(C)CC(=O)[O-])c(Cl)c1 ZINC000186908845 959500197 /nfs/dbraw/zinc/50/01/97/959500197.db2.gz SEEQPQSQKGFVNO-UHFFFAOYSA-N -1 0 327.808 3.957 20 0 EHADRM C[C@H](NC(=O)NCC(C)(C)C1CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001573620948 959510106 /nfs/dbraw/zinc/51/01/06/959510106.db2.gz SGSNIBXJFZXJAJ-AEGPPILISA-N -1 0 338.492 3.637 20 0 EHADRM C[C@@H](NC(=O)Nc1cccnc1C(=O)[O-])c1cccc(C2CC2)c1 ZINC001573621024 959511811 /nfs/dbraw/zinc/51/18/11/959511811.db2.gz VZTSAIUJDMQYAI-LLVKDONJSA-N -1 0 325.368 3.540 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ncccc2C(F)(F)F)cc1Cl ZINC000190604866 959513880 /nfs/dbraw/zinc/51/38/80/959513880.db2.gz GUGHOUXOKQPAMJ-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM C[C@H](CC(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccc(F)cc1F ZINC000190915298 959527651 /nfs/dbraw/zinc/52/76/51/959527651.db2.gz MWXCMHNWEDPWLO-LLVKDONJSA-N -1 0 349.333 3.561 20 0 EHADRM C/C(=C\c1ccccc1Cl)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000191212444 959546214 /nfs/dbraw/zinc/54/62/14/959546214.db2.gz ZTDGNEYSSNRCEO-YPDDLIOESA-N -1 0 335.831 3.847 20 0 EHADRM C[C@H](OC(=O)c1cccc(OCC(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001594244479 959557013 /nfs/dbraw/zinc/55/70/13/959557013.db2.gz WHBGXQAGIYCOIQ-NSHDSACASA-N -1 0 334.755 3.721 20 0 EHADRM Cc1ncoc1-c1ccc(NC(=O)c2coc(/C=C\C(=O)[O-])c2)cc1 ZINC001594474503 959576985 /nfs/dbraw/zinc/57/69/85/959576985.db2.gz AJANMESOCJPKPV-SREVYHEPSA-N -1 0 338.319 3.593 20 0 EHADRM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1cc(C(=O)[O-])co1 ZINC000191648264 959587526 /nfs/dbraw/zinc/58/75/26/959587526.db2.gz ZIQHMNBWNWEBGX-SNVBAGLBSA-N -1 0 336.413 3.699 20 0 EHADRM COc1cc(CNC(=O)c2ccc(C3CCC3)cc2)ccc1C(=O)[O-] ZINC000192893767 959596572 /nfs/dbraw/zinc/59/65/72/959596572.db2.gz BFWQGXCSQHDFDR-UHFFFAOYSA-N -1 0 339.391 3.591 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(OCCCC(=O)[O-])cc1)c1ccccc1 ZINC000192896883 959597271 /nfs/dbraw/zinc/59/72/71/959597271.db2.gz WOHUYLBPFSDMTD-CQSZACIVSA-N -1 0 327.380 3.672 20 0 EHADRM Cc1ccc(CCCC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)s1 ZINC000193095076 959615585 /nfs/dbraw/zinc/61/55/85/959615585.db2.gz SZBZJUZDSOYQIS-IBGZPJMESA-N -1 0 345.464 3.538 20 0 EHADRM C[C@H](Sc1ccc(F)cc1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001573641784 959617369 /nfs/dbraw/zinc/61/73/69/959617369.db2.gz GCWREMICYQSCBR-NSHDSACASA-N -1 0 333.384 3.572 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)OCc1cccc(-c2ccccn2)c1 ZINC001588641052 959694681 /nfs/dbraw/zinc/69/46/81/959694681.db2.gz VOBHAMLINBEVTM-INIZCTEOSA-N -1 0 327.380 3.539 20 0 EHADRM CCN(C(=O)/C=C\c1cc(Cl)cc(Cl)c1)C(C)(C)C(=O)[O-] ZINC000211768695 959696854 /nfs/dbraw/zinc/69/68/54/959696854.db2.gz AKECHXCJMWHNPK-WAYWQWQTSA-N -1 0 330.211 3.718 20 0 EHADRM CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001588642984 959710356 /nfs/dbraw/zinc/71/03/56/959710356.db2.gz IMZABQRQHNKRAV-HRCADAONSA-N -1 0 338.492 3.735 20 0 EHADRM C[C@](CNC(=O)NCC1(C)CCCCCC1)(C(=O)[O-])c1ccccc1 ZINC001573684286 959742555 /nfs/dbraw/zinc/74/25/55/959742555.db2.gz MBMSSLFSHKPUFF-HXUWFJFHSA-N -1 0 346.471 3.689 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)Nc1ccc2scnc2c1)C(=O)[O-] ZINC001588650612 959762284 /nfs/dbraw/zinc/76/22/84/959762284.db2.gz NDURDSDKBCQYLB-NSHDSACASA-N -1 0 335.429 3.697 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)Nc1ccc2scnc2c1)C(=O)[O-] ZINC001588650611 959763079 /nfs/dbraw/zinc/76/30/79/959763079.db2.gz NDURDSDKBCQYLB-LLVKDONJSA-N -1 0 335.429 3.697 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)CCc1ccccc1C(F)(F)F ZINC001588652837 959784253 /nfs/dbraw/zinc/78/42/53/959784253.db2.gz VUUBVXIYMHPWAQ-UHFFFAOYSA-N -1 0 345.361 3.597 20 0 EHADRM C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)NCc1ccccc1C(=O)[O-] ZINC001573698925 959811235 /nfs/dbraw/zinc/81/12/35/959811235.db2.gz QSZFWVJRGLBRAX-ZFWWWQNUSA-N -1 0 332.444 3.741 20 0 EHADRM CCO[C@@H](c1noc([C@@H]2CCCC[C@@H]2C(=O)[O-])n1)c1ccccc1 ZINC000392305494 972468631 /nfs/dbraw/zinc/46/86/31/972468631.db2.gz BSFSLCPBDMEIOC-QLFBSQMISA-N -1 0 330.384 3.554 20 0 EHADRM O=C([O-])c1coc(CNc2cccc3cc(Br)cnc32)c1 ZINC000227850230 959972321 /nfs/dbraw/zinc/97/23/21/959972321.db2.gz CKQSDOPIMSRBFJ-UHFFFAOYSA-N -1 0 347.168 3.901 20 0 EHADRM O=C([O-])c1ccc2c(c1)N(Cc1ccc(Br)cc1)CC2 ZINC000228535058 960022755 /nfs/dbraw/zinc/02/27/55/960022755.db2.gz OMTKJODZRDBXKP-UHFFFAOYSA-N -1 0 332.197 3.710 20 0 EHADRM O=C([O-])c1ccc2c(c1)N(Cc1ccc(Br)s1)CC2 ZINC000228534248 960022855 /nfs/dbraw/zinc/02/28/55/960022855.db2.gz WFRFCIFBPAZGNZ-UHFFFAOYSA-N -1 0 338.226 3.772 20 0 EHADRM CCCCOc1ccc(C(=O)NCC2(C(=O)[O-])CCCCC2)cc1 ZINC000392452849 972488166 /nfs/dbraw/zinc/48/81/66/972488166.db2.gz FGJCQNXQLKUNQH-UHFFFAOYSA-N -1 0 333.428 3.630 20 0 EHADRM Cc1cccc(Cl)c1NC(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000392526847 972493957 /nfs/dbraw/zinc/49/39/57/972493957.db2.gz SJCDHIBROOQCEX-UHFFFAOYSA-N -1 0 344.798 3.937 20 0 EHADRM C[C@@H](CSc1ncc(Br)cc1C(F)(F)F)C(=O)[O-] ZINC000235138070 960392260 /nfs/dbraw/zinc/39/22/60/960392260.db2.gz SVWXBBIBIJGYHA-YFKPBYRVSA-N -1 0 344.152 3.676 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)c1ccc(-c2ccccc2F)o1 ZINC001588654007 960407481 /nfs/dbraw/zinc/40/74/81/960407481.db2.gz PYYVDWRHCARFDO-UHFFFAOYSA-N -1 0 333.359 3.659 20 0 EHADRM C[C@@H]1OCC[C@@H]1SCc1ccc(C(=O)[O-])cc1Br ZINC000235318714 960410213 /nfs/dbraw/zinc/41/02/13/960410213.db2.gz UOKQUCYUEYRCJZ-UFBFGSQYSA-N -1 0 331.231 3.558 20 0 EHADRM C[C@H]1CCN(C(=O)NCC2CC(C)(C)CC(C)(C)C2)C[C@@H]1C(=O)[O-] ZINC001573726710 960414093 /nfs/dbraw/zinc/41/40/93/960414093.db2.gz QPXUKXYTKVEVNR-ZFWWWQNUSA-N -1 0 338.492 3.591 20 0 EHADRM C[C@@H](CC1CCCCC1)C(=O)N1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001123287028 960441828 /nfs/dbraw/zinc/44/18/28/960441828.db2.gz MYXVFDVOCPLCHO-ZDUSSCGKSA-N -1 0 348.443 3.685 20 0 EHADRM C[C@H](CSc1ncc(Br)cc1C(F)(F)F)C(=O)[O-] ZINC000235491390 960443549 /nfs/dbraw/zinc/44/35/49/960443549.db2.gz SVWXBBIBIJGYHA-RXMQYKEDSA-N -1 0 344.152 3.676 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)cc(C)n1 ZINC001123380159 960462793 /nfs/dbraw/zinc/46/27/93/960462793.db2.gz MMNRJFBMWORWCR-UHFFFAOYSA-N -1 0 344.436 3.659 20 0 EHADRM CSc1ccc(CCC(=O)NC2(C(=O)[O-])CCCCCC2)cc1 ZINC001574256884 960533901 /nfs/dbraw/zinc/53/39/01/960533901.db2.gz CMMVROXZLMCDRT-UHFFFAOYSA-N -1 0 335.469 3.635 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000392686505 972510231 /nfs/dbraw/zinc/51/02/31/972510231.db2.gz SRSCFZIXMHXXMB-OAHLLOKOSA-N -1 0 340.423 3.974 20 0 EHADRM C[C@H]1CN(CCOc2ccccc2C(=O)[O-])c2cccc(Cl)c2O1 ZINC001573750101 960549243 /nfs/dbraw/zinc/54/92/43/960549243.db2.gz ZGKOSWJDBNNYTR-LBPRGKRZSA-N -1 0 347.798 3.705 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(F)cc2C(C)(F)F)CC[C@H]1C(=O)[O-] ZINC001573750125 960552162 /nfs/dbraw/zinc/55/21/62/960552162.db2.gz VJRRSVQYZKCLFY-GXSJLCMTSA-N -1 0 344.333 3.512 20 0 EHADRM O=C([O-])c1coc(C(=O)Nc2cccc(Cl)c2Br)c1 ZINC000236468766 960645715 /nfs/dbraw/zinc/64/57/15/960645715.db2.gz HVVPXECKIGNKBR-UHFFFAOYSA-N -1 0 344.548 3.646 20 0 EHADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Nc1cc(-c2ccc(C(C)(C)C)cc2)no1 ZINC001574281951 960650231 /nfs/dbraw/zinc/65/02/31/960650231.db2.gz JDSJFTQNJCFGKX-WYRIXSBYSA-N -1 0 342.395 3.688 20 0 EHADRM CC(C)C[C@H](NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000236596399 960713755 /nfs/dbraw/zinc/71/37/55/960713755.db2.gz FSIGIKXZRCJCMQ-FZMZJTMJSA-N -1 0 345.361 3.815 20 0 EHADRM Cc1cc2occ(CC(=O)N(C)CCCC(=O)[O-])c2cc1C(C)C ZINC000236622372 960716874 /nfs/dbraw/zinc/71/68/74/960716874.db2.gz VPZNDMBIUXZJQV-UHFFFAOYSA-N -1 0 331.412 3.730 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)CCc1ccccc1 ZINC000236623381 960717299 /nfs/dbraw/zinc/71/72/99/960717299.db2.gz OSNHJYRGFOKFPX-UHFFFAOYSA-N -1 0 327.380 3.743 20 0 EHADRM Cc1cc(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c(C)n1CC1CC1 ZINC001261366937 960727187 /nfs/dbraw/zinc/72/71/87/960727187.db2.gz LAUQIHJRSBCBTK-CYBMUJFWSA-N -1 0 340.423 3.955 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)O[C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC001573784926 960731933 /nfs/dbraw/zinc/73/19/33/960731933.db2.gz NTGXGWGQOJWUFF-VIFPVBQESA-N -1 0 333.306 3.596 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)O[C@H](C)c1ccc(C(F)(F)F)cn1 ZINC001573784924 960732612 /nfs/dbraw/zinc/73/26/12/960732612.db2.gz NTGXGWGQOJWUFF-SECBINFHSA-N -1 0 333.306 3.596 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)c1cccc(OCc2cccs2)c1 ZINC000236694854 960733836 /nfs/dbraw/zinc/73/38/36/960733836.db2.gz LCNDOYOZJZXMQO-UHFFFAOYSA-N -1 0 347.436 3.510 20 0 EHADRM Cc1cc(C(=O)NCC2(CC(=O)[O-])CCCCC2)c(C)n1C1CC1 ZINC001261666936 960757112 /nfs/dbraw/zinc/75/71/12/960757112.db2.gz GWRIQPJBGBSTQQ-UHFFFAOYSA-N -1 0 332.444 3.595 20 0 EHADRM CC(C)(CC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000236794110 960758418 /nfs/dbraw/zinc/75/84/18/960758418.db2.gz WKACOMIRVRHSDA-KRWDZBQOSA-N -1 0 343.398 3.826 20 0 EHADRM CCCCNC(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000236794820 960758496 /nfs/dbraw/zinc/75/84/96/960758496.db2.gz AIZCZYPWRCHABU-UHFFFAOYSA-N -1 0 333.409 3.800 20 0 EHADRM CCC[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000236846141 960772168 /nfs/dbraw/zinc/77/21/68/960772168.db2.gz XUNZGBURRVXUOI-MFKMUULPSA-N -1 0 342.233 3.517 20 0 EHADRM Cc1cc(C(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)ns1 ZINC001574315464 960782110 /nfs/dbraw/zinc/78/21/10/960782110.db2.gz NKUJLYXUTBOESR-ZETCQYMHSA-N -1 0 336.438 3.588 20 0 EHADRM CCC(CC)(CNC(=O)c1ccc(-c2ccc(F)cc2)o1)C(=O)[O-] ZINC000236892281 960791207 /nfs/dbraw/zinc/79/12/07/960791207.db2.gz ADFBWRWWWXSSJI-UHFFFAOYSA-N -1 0 333.359 3.707 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000236974284 960819381 /nfs/dbraw/zinc/81/93/81/960819381.db2.gz POIYINLDWONXHV-NVXWUHKLSA-N -1 0 331.456 3.846 20 0 EHADRM CC[C@H](CNC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)C(=O)[O-] ZINC001573804076 960836387 /nfs/dbraw/zinc/83/63/87/960836387.db2.gz LHNUIMPVQXZYLJ-LLVKDONJSA-N -1 0 349.333 3.598 20 0 EHADRM Cc1cc(C)cc(C[C@H](C)NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC001574325241 960840048 /nfs/dbraw/zinc/84/00/48/960840048.db2.gz DYJRKRWLKYOKLL-FUHWJXTLSA-N -1 0 346.471 3.663 20 0 EHADRM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(C(=O)[O-])o1 ZINC000237087153 960868459 /nfs/dbraw/zinc/86/84/59/960868459.db2.gz YNOBTMNFBPOXLB-UHFFFAOYSA-N -1 0 328.151 3.557 20 0 EHADRM Cc1cc(NC(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)ccc1C(=O)[O-] ZINC001574332929 960896046 /nfs/dbraw/zinc/89/60/46/960896046.db2.gz GOTDCGACSLXGNS-MRXNPFEDSA-N -1 0 346.814 3.588 20 0 EHADRM Cc1cc(NC(=O)[C@H](C(=O)OC(C)(C)C)C(C)(C)C)ccc1C(=O)[O-] ZINC001574334001 960904676 /nfs/dbraw/zinc/90/46/76/960904676.db2.gz VORKDTZQFBMIDO-CQSZACIVSA-N -1 0 349.427 3.636 20 0 EHADRM CSc1ccc(C)c(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)c1 ZINC000237316587 960908994 /nfs/dbraw/zinc/90/89/94/960908994.db2.gz NYGIYKHWCJZNPS-ZDUSSCGKSA-N -1 0 335.450 3.724 20 0 EHADRM COc1ccc2oc([C@@H](C)NC(=O)c3ccc(C(=O)[O-])o3)c(C)c2c1 ZINC000237318076 960909968 /nfs/dbraw/zinc/90/99/68/960909968.db2.gz SZURJDLQRYPTAA-SNVBAGLBSA-N -1 0 343.335 3.532 20 0 EHADRM CC[C@@H](OC(=O)Cc1ccccc1C(=O)[O-])c1cccc(OC)c1 ZINC001573814101 960921681 /nfs/dbraw/zinc/92/16/81/960921681.db2.gz UDDIOSQGRFDJHO-QGZVFWFLSA-N -1 0 328.364 3.630 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)Nc1ccc(F)cc1F)C(=O)[O-] ZINC000237384115 960922284 /nfs/dbraw/zinc/92/22/84/960922284.db2.gz PWXIQTVTMOPOLC-SECBINFHSA-N -1 0 337.347 3.782 20 0 EHADRM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)c1ccc(C(=O)[O-])o1 ZINC000237441206 960934176 /nfs/dbraw/zinc/93/41/76/960934176.db2.gz DFAIRTBMSYYUDP-CYBMUJFWSA-N -1 0 327.380 3.981 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(-n3cccc3)c2)cc1 ZINC001319377026 960943188 /nfs/dbraw/zinc/94/31/88/960943188.db2.gz IWOPHRGLWSPBBA-IBGZPJMESA-N -1 0 348.402 3.732 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)CCCOc1cccc(F)c1 ZINC001319534887 960952084 /nfs/dbraw/zinc/95/20/84/960952084.db2.gz NEETWCUJWBTQJG-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM Cc1ccsc1CNC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000237559393 960959899 /nfs/dbraw/zinc/95/98/99/960959899.db2.gz KGBGYFPXCADTET-NSHDSACASA-N -1 0 335.450 3.552 20 0 EHADRM Cc1cc2scc(CC(=O)Nc3ccnc(C(=O)[O-])c3)c2s1 ZINC001574347991 960972921 /nfs/dbraw/zinc/97/29/21/960972921.db2.gz PBDLQCCSKFGIDN-UHFFFAOYSA-N -1 0 332.406 3.546 20 0 EHADRM Cc1cc2sc(NC(=O)[C@H](C(=O)[O-])C3CCCC3)nc2cc1F ZINC001574348401 960976590 /nfs/dbraw/zinc/97/65/90/960976590.db2.gz WYTHFYKFBHPIJF-CYBMUJFWSA-N -1 0 336.388 3.573 20 0 EHADRM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)c1ccc(C(=O)[O-])o1 ZINC000237626114 960979870 /nfs/dbraw/zinc/97/98/70/960979870.db2.gz DFAIRTBMSYYUDP-ZDUSSCGKSA-N -1 0 327.380 3.981 20 0 EHADRM Cc1ccc(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)c(C(=O)[O-])c1 ZINC000237716563 961006295 /nfs/dbraw/zinc/00/62/95/961006295.db2.gz AVRBMOYTQZKYPD-UHFFFAOYSA-N -1 0 341.411 3.774 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C)cc2)c(C)n1C1CC1 ZINC001322657089 961010084 /nfs/dbraw/zinc/01/00/84/961010084.db2.gz PTUFRMKJJIKENH-SFHVURJKSA-N -1 0 340.423 3.694 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1cnn(C2CCCCC2)c1 ZINC001322779074 961013999 /nfs/dbraw/zinc/01/39/99/961013999.db2.gz HNYGZOROMXWPFW-UHFFFAOYSA-N -1 0 327.384 3.647 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)Cc1csc(C(C)(C)C)n1 ZINC001322778775 961014226 /nfs/dbraw/zinc/01/42/26/961014226.db2.gz GGUBMLSVRAOYPX-UHFFFAOYSA-N -1 0 332.425 3.628 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000237751503 961016625 /nfs/dbraw/zinc/01/66/25/961016625.db2.gz ZGOSSZACMPCGSF-UHFFFAOYSA-N -1 0 343.423 3.613 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)ccc1C(=O)[O-] ZINC000237816068 961029248 /nfs/dbraw/zinc/02/92/48/961029248.db2.gz FWTZJVJDUVISFA-RXVVDRJESA-N -1 0 335.403 3.926 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)cc2c1C ZINC000237857139 961035948 /nfs/dbraw/zinc/03/59/48/961035948.db2.gz IBXOMZZCCWDQNB-AWEZNQCLSA-N -1 0 328.412 3.502 20 0 EHADRM CC(C)(C)OC(=O)Nc1cccc(OC(=O)C2(CC(=O)[O-])CCC2)c1 ZINC001588725290 961037762 /nfs/dbraw/zinc/03/77/62/961037762.db2.gz FOUDYHKDTCDAGE-UHFFFAOYSA-N -1 0 349.383 3.584 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N2C[C@H]3CCCC[C@]32c2ccccc2)c1 ZINC001324667038 961042364 /nfs/dbraw/zinc/04/23/64/961042364.db2.gz YYMWXYKSEAXVEO-KNQAVFIVSA-N -1 0 349.430 3.855 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)CCCCCc2cccs2)C1 ZINC000237946594 961050779 /nfs/dbraw/zinc/05/07/79/961050779.db2.gz HBKLAGTYEPBHGI-HNNXBMFYSA-N -1 0 337.485 3.954 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCCSc2ccc(Cl)cc2)s1 ZINC000238042347 961083523 /nfs/dbraw/zinc/08/35/23/961083523.db2.gz MKHVFEDKDYVGLF-UHFFFAOYSA-N -1 0 341.841 3.622 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)cc1 ZINC000238048639 961085606 /nfs/dbraw/zinc/08/56/06/961085606.db2.gz APNQWIAFKWQLTH-UHFFFAOYSA-N -1 0 325.364 3.959 20 0 EHADRM Cc1ccc(Oc2ccccc2CC(=O)N(C)C[C@H](C)C(=O)[O-])cc1 ZINC001574377871 961095711 /nfs/dbraw/zinc/09/57/11/961095711.db2.gz AFYYNBGOJGPGAM-HNNXBMFYSA-N -1 0 341.407 3.509 20 0 EHADRM CCCN(C(=O)CCCC(=O)[O-])[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC001573847824 961100317 /nfs/dbraw/zinc/10/03/17/961100317.db2.gz ACIYBDGIHPFVQG-HZPDHXFCSA-N -1 0 339.476 3.608 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)c1 ZINC000238125216 961112313 /nfs/dbraw/zinc/11/23/13/961112313.db2.gz LALAWUKJEPDOAY-JKSUJKDBSA-N -1 0 329.783 3.709 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000238136319 961121584 /nfs/dbraw/zinc/12/15/84/961121584.db2.gz DOHRQZNSQWGZOG-UHFFFAOYSA-N -1 0 342.439 3.812 20 0 EHADRM O=C([O-])CN(Cc1ccccc1)C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000238148307 961128980 /nfs/dbraw/zinc/12/89/80/961128980.db2.gz HTIWWCDWDJHBAO-IRXDYDNUSA-N -1 0 343.810 3.557 20 0 EHADRM CC(C)(C)c1ccc(C(F)(F)C(=O)N2CCC[C@@]2(C)C(=O)[O-])cc1 ZINC001588739830 961160718 /nfs/dbraw/zinc/16/07/18/961160718.db2.gz XDSAIUDDJRQWKQ-KRWDZBQOSA-N -1 0 339.382 3.542 20 0 EHADRM CC(C)(CC(=O)N1CCCc2cc(C(=O)[O-])ccc21)CC(F)F ZINC001588754638 961215876 /nfs/dbraw/zinc/21/58/76/961215876.db2.gz IKFYCVIQNJPHED-UHFFFAOYSA-N -1 0 325.355 3.736 20 0 EHADRM C[C@H]1[C@H](C(=O)[O-])CCN1c1nc(-c2ccccc2)nc2ccccc21 ZINC001328607192 961217343 /nfs/dbraw/zinc/21/73/43/961217343.db2.gz WKSFPJBZGCKPGE-DZGCQCFKSA-N -1 0 333.391 3.596 20 0 EHADRM O=C([O-])[C@@H](c1ccccc1Cl)N1CCO[C@@H](c2ccccc2F)C1 ZINC001328739760 961221447 /nfs/dbraw/zinc/22/14/47/961221447.db2.gz KKWRVAHSSYJZHA-IAGOWNOFSA-N -1 0 349.789 3.678 20 0 EHADRM CN(CCC(F)(F)F)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001329676834 961295072 /nfs/dbraw/zinc/29/50/72/961295072.db2.gz TZOKWKVLTAYSFU-UHFFFAOYSA-N -1 0 344.358 3.893 20 0 EHADRM CC(C)(CNC(=O)[C@@H](C(=O)[O-])C1CCCC1)c1cccc(Cl)c1 ZINC001588780254 961309423 /nfs/dbraw/zinc/30/94/23/961309423.db2.gz XQWDZEAJZAGINM-HNNXBMFYSA-N -1 0 337.847 3.625 20 0 EHADRM COc1cc(NC(=O)c2ccc3c(c2)CCCC3)ccc1C(=O)[O-] ZINC000261670848 961387500 /nfs/dbraw/zinc/38/75/00/961387500.db2.gz LSHRLJDYWOSNMZ-UHFFFAOYSA-N -1 0 325.364 3.525 20 0 EHADRM C[C@H]1CN(C(=O)c2cc3c(s2)CCCCCC3)CC[C@H]1C(=O)[O-] ZINC000261843498 961395755 /nfs/dbraw/zinc/39/57/55/961395755.db2.gz IXQIJYQOBCGYKM-GXTWGEPZSA-N -1 0 335.469 3.590 20 0 EHADRM CN(C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)C1(C(=O)[O-])CCCCC1 ZINC000261924588 961400592 /nfs/dbraw/zinc/40/05/92/961400592.db2.gz SCHVGVSRYZZGJX-VXGBXAGGSA-N -1 0 335.366 3.601 20 0 EHADRM CCCCCOc1ccc(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC000262103943 961462091 /nfs/dbraw/zinc/46/20/91/961462091.db2.gz FUXQKGYFTWWRHW-CQSZACIVSA-N -1 0 333.428 3.581 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N(Cc1ccccc1F)C1CC1 ZINC000262110380 961469135 /nfs/dbraw/zinc/46/91/35/961469135.db2.gz FJUGBILYWLMUIN-UHFFFAOYSA-N -1 0 341.382 3.648 20 0 EHADRM C[C@@H]1CCN(C(=O)CCc2ccccc2C(=O)[O-])[C@@H](c2ccco2)C1 ZINC000262119925 961475722 /nfs/dbraw/zinc/47/57/22/961475722.db2.gz JOTWTAKJXSYIST-RHSMWYFYSA-N -1 0 341.407 3.910 20 0 EHADRM C[C@H]1CCN(C(=O)CCc2ccccc2C(=O)[O-])[C@H](c2ccco2)C1 ZINC000262119928 961476299 /nfs/dbraw/zinc/47/62/99/961476299.db2.gz JOTWTAKJXSYIST-YOEHRIQHSA-N -1 0 341.407 3.910 20 0 EHADRM COc1cc(NC(=O)c2ccc(COC(C)C)cc2)ccc1C(=O)[O-] ZINC000262151974 961504034 /nfs/dbraw/zinc/50/40/34/961504034.db2.gz GCJGYRQLWJAKID-UHFFFAOYSA-N -1 0 343.379 3.571 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000262160128 961509899 /nfs/dbraw/zinc/50/98/99/961509899.db2.gz PSQBNGPVOYIPEI-WDMOLILDSA-N -1 0 342.222 3.768 20 0 EHADRM CC(C)Oc1c(NC(=O)c2cnc(C3CC3)s2)cccc1C(=O)[O-] ZINC001332181597 961518399 /nfs/dbraw/zinc/51/83/99/961518399.db2.gz LWPQRRBSKBHGAG-UHFFFAOYSA-N -1 0 346.408 3.758 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000262210607 961555875 /nfs/dbraw/zinc/55/58/75/961555875.db2.gz PSIPUYHSBCNNHC-HXUWFJFHSA-N -1 0 349.430 3.996 20 0 EHADRM CCN(C(=O)CCc1ccccc1C(=O)[O-])c1cc(C)cc(C)c1 ZINC000262212078 961557759 /nfs/dbraw/zinc/55/77/59/961557759.db2.gz PYAOWHMWNSXPCN-UHFFFAOYSA-N -1 0 325.408 3.987 20 0 EHADRM Cc1cc(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)c(C)n1C(C)C ZINC000262222966 961567615 /nfs/dbraw/zinc/56/76/15/961567615.db2.gz RFJNTRAVUBZLDB-GOSISDBHSA-N -1 0 340.423 3.510 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)C2(c3ccccc3)CCCC2)Cc2ccccc21 ZINC000262226620 961571099 /nfs/dbraw/zinc/57/10/99/961571099.db2.gz RUEMJFRFPMSOGI-IBGZPJMESA-N -1 0 349.430 3.709 20 0 EHADRM CCOc1ccc(Br)cc1NC1CC(CC(=O)[O-])C1 ZINC001332433339 961577086 /nfs/dbraw/zinc/57/70/86/961577086.db2.gz QXPVWANDOKVLGW-UHFFFAOYSA-N -1 0 328.206 3.513 20 0 EHADRM CC(C)[C@H](CNC(=O)Nc1cc(Cl)cc(Cl)c1F)C(=O)[O-] ZINC001588827329 961680626 /nfs/dbraw/zinc/68/06/26/961680626.db2.gz QVRWGECDOJZFQQ-QMMMGPOBSA-N -1 0 337.178 3.611 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)ccc1Cl ZINC001333521847 961713661 /nfs/dbraw/zinc/71/36/61/961713661.db2.gz GWWJRELJVMWQHW-PPKCKEKNSA-N -1 0 329.730 3.658 20 0 EHADRM CO[C@H]1CCC[C@@H](CC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC001333945794 961734958 /nfs/dbraw/zinc/73/49/58/961734958.db2.gz RDXMRFSHCHXICR-PWSUYJOCSA-N -1 0 325.792 3.572 20 0 EHADRM Cc1oc(CN(C)Cc2c(Cl)cncc2Cl)cc1C(=O)[O-] ZINC001334010460 961738862 /nfs/dbraw/zinc/73/88/62/961738862.db2.gz NENYRZHTKDKTLM-UHFFFAOYSA-N -1 0 329.183 3.620 20 0 EHADRM CCSc1ccc(CC(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)cc1 ZINC001334183590 961768775 /nfs/dbraw/zinc/76/87/75/961768775.db2.gz YPTYSZOPTAYZJM-UHFFFAOYSA-N -1 0 347.436 3.599 20 0 EHADRM CC(C)[C@@H](OC(=O)c1ccc(C(=O)[O-])cn1)c1ccc(F)c(F)c1 ZINC001588836244 961771262 /nfs/dbraw/zinc/77/12/62/961771262.db2.gz UXSHQVYRUHCTQK-OAHLLOKOSA-N -1 0 335.306 3.612 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)CC2(C(F)(F)F)CC2)cc1 ZINC001334189286 961772192 /nfs/dbraw/zinc/77/21/92/961772192.db2.gz VMDIRSVZXHKTPJ-UHFFFAOYSA-N -1 0 345.317 3.601 20 0 EHADRM CCOc1cccc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)c1 ZINC000262570339 961776779 /nfs/dbraw/zinc/77/67/79/961776779.db2.gz CKTGRKKIWPIRGJ-UHFFFAOYSA-N -1 0 343.379 3.823 20 0 EHADRM CC[C@@H]1CC[C@H](C)N1C(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000262662505 961798705 /nfs/dbraw/zinc/79/87/05/961798705.db2.gz MEXFYWIVLFUXHY-TVQRCGJNSA-N -1 0 340.217 3.550 20 0 EHADRM C[C@@H](CCc1ccco1)NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000262669310 961799940 /nfs/dbraw/zinc/79/99/40/961799940.db2.gz WUBGADMTMNXHBT-STQMWFEESA-N -1 0 347.436 3.596 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)o1 ZINC000262675698 961801931 /nfs/dbraw/zinc/80/19/31/961801931.db2.gz AGNAOEYEHDIDNT-TUUVXOQKSA-N -1 0 333.428 3.779 20 0 EHADRM CC(C)C1CCC(NC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)CC1 ZINC001588841296 961802226 /nfs/dbraw/zinc/80/22/26/961802226.db2.gz JRUNMMNLQBTYMR-JFUPDXTOSA-N -1 0 344.455 3.595 20 0 EHADRM O=C(/C=C/c1ccc(C(=O)[O-])o1)Nc1cnccc1-c1ccccc1 ZINC001574513450 961824303 /nfs/dbraw/zinc/82/43/03/961824303.db2.gz IRHOBSCPDNQHBM-VQHVLOKHSA-N -1 0 334.331 3.692 20 0 EHADRM CC(C)Oc1ccc([C@@H](C)NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC000262757001 961851649 /nfs/dbraw/zinc/85/16/49/961851649.db2.gz ZALQMVBNRZVKLH-FVQBIDKESA-N -1 0 333.428 3.542 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCC[C@H]2/C=C/c2ccccc2)C1 ZINC000262759523 961853370 /nfs/dbraw/zinc/85/33/70/961853370.db2.gz KOAGJBWLODCCEW-ANPJYKQMSA-N -1 0 327.424 3.582 20 0 EHADRM Cc1nc(N2CCC(c3nc4ccccc4o3)CC2)ccc1C(=O)[O-] ZINC001334915639 961855108 /nfs/dbraw/zinc/85/51/08/961855108.db2.gz LRXCRJMADLAZND-UHFFFAOYSA-N -1 0 337.379 3.613 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)CCc2c[nH]c3ccccc23)c2ccccc21 ZINC001574521381 961856386 /nfs/dbraw/zinc/85/63/86/961856386.db2.gz JKXRTPFMRRNWCR-HKUYNNGSSA-N -1 0 348.402 3.530 20 0 EHADRM CC1(C)CC[C@@H](CNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c2ccccc21 ZINC000262808538 961877629 /nfs/dbraw/zinc/87/76/29/961877629.db2.gz NUXJSXRDTHBXRE-JYJNAYRXSA-N -1 0 343.467 3.849 20 0 EHADRM COCc1ccsc1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000262833230 961897627 /nfs/dbraw/zinc/89/76/27/961897627.db2.gz YEBOCXUSWDCXBI-UHFFFAOYSA-N -1 0 333.409 3.509 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CC[C@@H](C)C2(CCCCC2)C1)C(=O)[O-] ZINC001588850524 961922782 /nfs/dbraw/zinc/92/27/82/961922782.db2.gz PFEFHPSZYUIIKT-HZPDHXFCSA-N -1 0 338.492 3.735 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CC[C@H](c2ccccc2)C1(C)C)C(=O)[O-] ZINC001588850617 961924708 /nfs/dbraw/zinc/92/47/08/961924708.db2.gz VJVYXOAXCQMUGN-IAGOWNOFSA-N -1 0 346.471 3.711 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CC[C@@H](C(C)(C)C)C[C@@H]1C)C(=O)[O-] ZINC001588850648 961924768 /nfs/dbraw/zinc/92/47/68/961924768.db2.gz XEPZRQDEDYIZCO-RRFJBIMHSA-N -1 0 326.481 3.590 20 0 EHADRM CC(C)(C)c1ccc2cc(C(=O)N3CCC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000262861053 961926361 /nfs/dbraw/zinc/92/63/61/961926361.db2.gz FDQDGROQVKSMJD-AWEZNQCLSA-N -1 0 328.412 3.545 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N1CCc2ccccc2[C@H]1C(C)C)C(=O)[O-] ZINC001588852512 961944787 /nfs/dbraw/zinc/94/47/87/961944787.db2.gz OOFMWPJNJRBHPA-FUHWJXTLSA-N -1 0 346.471 3.698 20 0 EHADRM CCCCc1ccc(N(C)C(=O)c2c(C)coc2CC(=O)[O-])cc1 ZINC000262882118 961955187 /nfs/dbraw/zinc/95/51/87/961955187.db2.gz HCGGTDNQCBBPRA-UHFFFAOYSA-N -1 0 329.396 3.834 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N[C@H](CC(F)F)C(=O)[O-])cc1 ZINC000262907984 961986678 /nfs/dbraw/zinc/98/66/78/961986678.db2.gz FEXAWFNOVRLQFM-BXUZGUMPSA-N -1 0 327.371 3.528 20 0 EHADRM Cc1cccc(Oc2ccccc2C(=O)N2CCC[C@H]2CC(=O)[O-])c1 ZINC000262913571 961992745 /nfs/dbraw/zinc/99/27/45/961992745.db2.gz JUORJLGSPUIQHC-HNNXBMFYSA-N -1 0 339.391 3.867 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N[C@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC000262935016 962020003 /nfs/dbraw/zinc/02/00/03/962020003.db2.gz GGCWLUIYLXTRKP-GFCCVEGCSA-N -1 0 345.395 3.666 20 0 EHADRM CC(C)CCC[C@H](C)NC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001588867469 962023204 /nfs/dbraw/zinc/02/32/04/962023204.db2.gz LJCYQBLGFFOXBU-HNAYVOBHSA-N -1 0 334.460 3.543 20 0 EHADRM CC(C)c1sc(NC(=O)c2cnc(C3CC3)s2)nc1C(=O)[O-] ZINC001339564962 962047291 /nfs/dbraw/zinc/04/72/91/962047291.db2.gz AZVDDIBSEOQERP-UHFFFAOYSA-N -1 0 337.426 3.551 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)N(C)c1ccc(OCC(=O)[O-])cc1 ZINC000262967662 962052520 /nfs/dbraw/zinc/05/25/20/962052520.db2.gz ILUXNWVUPSBWLR-HNNXBMFYSA-N -1 0 341.407 3.615 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)s1 ZINC000262967279 962053718 /nfs/dbraw/zinc/05/37/18/962053718.db2.gz SGNWIEZQDZLESK-NSHDSACASA-N -1 0 347.358 3.641 20 0 EHADRM CC(C)(C)c1nc2ccc(NC(=O)N3CC[C@@H](C(=O)[O-])C3)cc2s1 ZINC000262998231 962091324 /nfs/dbraw/zinc/09/13/24/962091324.db2.gz FRPDWQJIOYNYKN-SNVBAGLBSA-N -1 0 347.440 3.532 20 0 EHADRM Cc1ccc(NC(=O)NC2CCC(C(=O)[O-])CC2)cc1OC(C)C ZINC000263002099 962096477 /nfs/dbraw/zinc/09/64/77/962096477.db2.gz GFDDDWZAOAVVFF-UHFFFAOYSA-N -1 0 334.416 3.547 20 0 EHADRM Cc1cc(Cl)cc(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1 ZINC000263020790 962127192 /nfs/dbraw/zinc/12/71/92/962127192.db2.gz YAQTWQNLRVXXDX-IAGOWNOFSA-N -1 0 343.810 3.589 20 0 EHADRM Cc1ccc2[nH]c(C(=O)NCc3ccc(C(=O)[O-])cc3)c(Cl)c2c1 ZINC001341832194 962143671 /nfs/dbraw/zinc/14/36/71/962143671.db2.gz OSKNMMAJMLGYEH-UHFFFAOYSA-N -1 0 342.782 3.758 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000263036284 962156830 /nfs/dbraw/zinc/15/68/30/962156830.db2.gz DFJAQCFVOKRBSP-OAHLLOKOSA-N -1 0 333.359 3.796 20 0 EHADRM CC[C@@](CNC(=O)c1occc1C(C)C)(C(=O)[O-])c1ccccc1 ZINC000263054978 962189327 /nfs/dbraw/zinc/18/93/27/962189327.db2.gz RMFSDMCCNAEFOT-IBGZPJMESA-N -1 0 329.396 3.565 20 0 EHADRM CSc1cc(C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)c(Cl)cc1Cl ZINC000263057464 962193552 /nfs/dbraw/zinc/19/35/52/962193552.db2.gz AXYBQAPCKRCNRY-HTQZYQBOSA-N -1 0 348.251 3.651 20 0 EHADRM Cc1cscc1NC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263058116 962195245 /nfs/dbraw/zinc/19/52/45/962195245.db2.gz ODLODOXSDUDUAE-AWEZNQCLSA-N -1 0 332.425 3.654 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCC[C@H](c2ccccc2)C1)CC(=O)[O-] ZINC001588890588 962201902 /nfs/dbraw/zinc/20/19/02/962201902.db2.gz OPAAAHYOWVAQOS-WMZOPIPTSA-N -1 0 346.471 3.713 20 0 EHADRM CC(C)C[C@H](CNC(=O)N[C@@H]1CCC[C@H]1C(C)(C)C)CC(=O)[O-] ZINC001588893067 962216367 /nfs/dbraw/zinc/21/63/67/962216367.db2.gz SKPQEMJOAGQISK-RRFJBIMHSA-N -1 0 326.481 3.637 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCC[C@@H]1Cc1ccccc1)CC(=O)[O-] ZINC001588893256 962217450 /nfs/dbraw/zinc/21/74/50/962217450.db2.gz YYOJBDBGNIKERM-ZWKOTPCHSA-N -1 0 346.471 3.540 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1ccc2ccc(Cl)cc2n1)C1CCCC1 ZINC001574616016 962219866 /nfs/dbraw/zinc/21/98/66/962219866.db2.gz CXJNZBLDTRMALS-OAHLLOKOSA-N -1 0 332.787 3.718 20 0 EHADRM CCC[C@H](CC1CCCC1)C(=O)N1CCc2ccc(C(=O)[O-])nc2C1 ZINC001345132538 962237016 /nfs/dbraw/zinc/23/70/16/962237016.db2.gz DJQATDKGZBSUPR-MRXNPFEDSA-N -1 0 344.455 3.661 20 0 EHADRM CCCC[C@H](CC)CC(=O)N1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001345133853 962239519 /nfs/dbraw/zinc/23/95/19/962239519.db2.gz RQSPHLQPVPPNHH-ZDUSSCGKSA-N -1 0 336.432 3.685 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000263110025 962262295 /nfs/dbraw/zinc/26/22/95/962262295.db2.gz JOGZDVWUOLTXKM-CYBMUJFWSA-N -1 0 345.826 3.875 20 0 EHADRM CC(C)Cc1ccc(NC(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC001588906050 962273089 /nfs/dbraw/zinc/27/30/89/962273089.db2.gz HIGVROZAXWDHLW-UHFFFAOYSA-N -1 0 327.380 3.601 20 0 EHADRM CC(C)Cc1ccc(CC(=O)NC2(CC(=O)[O-])CCCCC2)cc1 ZINC001588906076 962274860 /nfs/dbraw/zinc/27/48/60/962274860.db2.gz IPBAXMNVGCORIT-UHFFFAOYSA-N -1 0 331.456 3.721 20 0 EHADRM CC(C)c1cccc2c1CCN(C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)C2 ZINC000263126566 962281033 /nfs/dbraw/zinc/28/10/33/962281033.db2.gz XKPBDSVXLWVKAI-GJZGRUSLSA-N -1 0 329.440 3.586 20 0 EHADRM C[C@H](Nc1ccc(NC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)cc1)c1ccccc1 ZINC001345782391 962296305 /nfs/dbraw/zinc/29/63/05/962296305.db2.gz FQYUECJNWVKFIA-CWRNSKLLSA-N -1 0 338.407 3.909 20 0 EHADRM CC(C)[C@@H](CNC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)Cc1ccccc1 ZINC000263144168 962298291 /nfs/dbraw/zinc/29/82/91/962298291.db2.gz YOWKCQLADPBZCX-KZNAEPCWSA-N -1 0 331.456 3.509 20 0 EHADRM Cc1oc(-c2ccccc2)c(C(=O)NCCCCCC(=O)[O-])c1C ZINC000263161424 962312305 /nfs/dbraw/zinc/31/23/05/962312305.db2.gz OTHNGDQTRNQMKQ-UHFFFAOYSA-N -1 0 329.396 3.938 20 0 EHADRM Cc1ccc(C)c(OCCC(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c1 ZINC000263176875 962329333 /nfs/dbraw/zinc/32/93/33/962329333.db2.gz GTJYUHOQQHZYLB-OAHLLOKOSA-N -1 0 341.407 3.899 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 ZINC000263181322 962336167 /nfs/dbraw/zinc/33/61/67/962336167.db2.gz RLWJEQYUJHBXQA-AWEZNQCLSA-N -1 0 349.324 3.675 20 0 EHADRM CCO[C@H](C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1)c1ccccc1 ZINC000263198462 962353956 /nfs/dbraw/zinc/35/39/56/962353956.db2.gz JNZDQTQTAYBWIY-GUYCJALGSA-N -1 0 327.380 3.591 20 0 EHADRM CC(C)(Oc1ccccc1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001347050487 962381257 /nfs/dbraw/zinc/38/12/57/962381257.db2.gz ZAOKWXYUVUHINN-UHFFFAOYSA-N -1 0 341.407 3.845 20 0 EHADRM C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263234958 962381772 /nfs/dbraw/zinc/38/17/72/962381772.db2.gz MXRZZFGMFUTHPZ-DVUZTRGUSA-N -1 0 344.455 3.643 20 0 EHADRM Cc1cc(C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)sc1-c1ccc(F)cc1 ZINC000263234311 962382027 /nfs/dbraw/zinc/38/20/27/962382027.db2.gz SLASRTGEBIAEOT-BXUZGUMPSA-N -1 0 347.411 3.798 20 0 EHADRM CC[C@H](CC(=O)N[C@@](C)(CC(=O)[O-])c1cccc(OC)c1)C(C)C ZINC000263244080 962387925 /nfs/dbraw/zinc/38/79/25/962387925.db2.gz UKSUXMLMVQXPQA-KUHUBIRLSA-N -1 0 335.444 3.574 20 0 EHADRM CC(C)[C@@H](NC(=O)CCCCC(=O)[O-])c1ccc(Cl)cc1F ZINC000263263726 962402588 /nfs/dbraw/zinc/40/25/88/962402588.db2.gz GYEWMDCCDBWMSP-MRXNPFEDSA-N -1 0 329.799 3.937 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000263295961 962439817 /nfs/dbraw/zinc/43/98/17/962439817.db2.gz NBQGETYADNHCRL-RDTXWAMCSA-N -1 0 341.407 3.979 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)Cc2ccc(F)c(Cl)c2)c2ccccc21 ZINC001574655631 962455857 /nfs/dbraw/zinc/45/58/57/962455857.db2.gz DCSJKGRMRLDVPU-CYBMUJFWSA-N -1 0 347.773 3.627 20 0 EHADRM COc1ccc(CCC(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)cc1F ZINC000263320126 962461554 /nfs/dbraw/zinc/46/15/54/962461554.db2.gz NGQSUSSQMKHFSM-GFCCVEGCSA-N -1 0 345.370 3.594 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N2CCC[C@@H]2CCc2ccccc2)cc1 ZINC000263330514 962477177 /nfs/dbraw/zinc/47/71/77/962477177.db2.gz LWDYGQXUMHGLKY-LJQANCHMSA-N -1 0 337.419 3.551 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2Cc3ccccc3C[C@@H]2c2ccccc2)C1 ZINC000263346068 962497307 /nfs/dbraw/zinc/49/73/07/962497307.db2.gz UAJXEUHWLXLVNE-NLWGTHIKSA-N -1 0 349.430 3.814 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)cc1 ZINC000263345110 962497453 /nfs/dbraw/zinc/49/74/53/962497453.db2.gz TVABVOROMQYXCD-LTBCBRHQSA-N -1 0 335.403 3.717 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N(C2CC2)[C@H]2CCc3ccccc32)cc1 ZINC000263356143 962511849 /nfs/dbraw/zinc/51/18/49/962511849.db2.gz RQRZTXFDCOKUNU-IBGZPJMESA-N -1 0 335.403 3.606 20 0 EHADRM C[C@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)c1cccc(C2CC2)c1 ZINC000263358194 962513568 /nfs/dbraw/zinc/51/35/68/962513568.db2.gz JPYIXYGASABGOL-ZDUSSCGKSA-N -1 0 338.407 3.823 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001588940251 962519615 /nfs/dbraw/zinc/51/96/15/962519615.db2.gz JFETUSQHUNLNOR-INIZCTEOSA-N -1 0 346.358 3.560 20 0 EHADRM CC(C)Oc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001588940327 962521358 /nfs/dbraw/zinc/52/13/58/962521358.db2.gz CVCUTTCVFZVFTA-MRXNPFEDSA-N -1 0 346.358 3.560 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)Nc2ccc3nc(C4CC4)oc3c2)co1 ZINC001574668131 962529306 /nfs/dbraw/zinc/52/93/06/962529306.db2.gz VRFWQSGWKUYTEE-XQRVVYSFSA-N -1 0 338.319 3.648 20 0 EHADRM O=C([O-])[C@H]1CCCCN1Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000263439213 962618682 /nfs/dbraw/zinc/61/86/82/962618682.db2.gz VTADEKJHPZHTCQ-CQSZACIVSA-N -1 0 336.844 3.903 20 0 EHADRM CC(C)c1ccc(C(C)(C)NC(=O)NCC2(C(=O)[O-])CCC2)cc1 ZINC001588967041 962653698 /nfs/dbraw/zinc/65/36/98/962653698.db2.gz VRYUGJDIUAHZCH-UHFFFAOYSA-N -1 0 332.444 3.599 20 0 EHADRM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2c(C)coc2CC(=O)[O-])o1 ZINC000263472325 962657773 /nfs/dbraw/zinc/65/77/73/962657773.db2.gz YHPHXHLJQHROCC-BXUZGUMPSA-N -1 0 345.395 3.730 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)CCC2 ZINC001588969369 962661921 /nfs/dbraw/zinc/66/19/21/962661921.db2.gz ABHTVFGBDCKWGY-FUHWJXTLSA-N -1 0 344.455 3.694 20 0 EHADRM COc1cc2c(c(CNc3cccc(CCC(=O)[O-])c3)c1)O[C@@H](C)C2 ZINC000263484191 962668990 /nfs/dbraw/zinc/66/89/90/962668990.db2.gz GYIOEFZRWUOONQ-ZDUSSCGKSA-N -1 0 341.407 3.648 20 0 EHADRM O=C([O-])CCCNC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000263491526 962676241 /nfs/dbraw/zinc/67/62/41/962676241.db2.gz RJMMQSNCZZTCFS-HNNXBMFYSA-N -1 0 338.835 3.832 20 0 EHADRM C[C@@H](NCc1ccc(/C=C/C(=O)[O-])o1)c1nc(C(C)(C)C)cs1 ZINC001353921644 962678031 /nfs/dbraw/zinc/67/80/31/962678031.db2.gz JUKOMFSJIITHPD-WSKFYRRCSA-N -1 0 334.441 3.982 20 0 EHADRM CC(C)c1nc([C@H]2CCCCN2Cc2ccc(C(=O)[O-])cc2)no1 ZINC001588975500 962693078 /nfs/dbraw/zinc/69/30/78/962693078.db2.gz ZCOCFVIFIOFIIR-OAHLLOKOSA-N -1 0 329.400 3.618 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000263511489 962693505 /nfs/dbraw/zinc/69/35/05/962693505.db2.gz CKGQUBGOBCBSNE-IUODEOHRSA-N -1 0 343.810 3.734 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)Nc2cnc(F)c(Cl)c2)c1 ZINC001574709322 962695602 /nfs/dbraw/zinc/69/56/02/962695602.db2.gz CMQQWWBISFVQOX-UHFFFAOYSA-N -1 0 337.738 3.535 20 0 EHADRM CC(C)c1ncsc1NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001588976230 962699526 /nfs/dbraw/zinc/69/95/26/962699526.db2.gz UMUCWJUOHIUIPL-SNVBAGLBSA-N -1 0 327.450 3.668 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 ZINC000263543930 962718919 /nfs/dbraw/zinc/71/89/19/962718919.db2.gz SEPDPTJFPPHMSZ-CYBMUJFWSA-N -1 0 349.324 3.866 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000263542030 962719258 /nfs/dbraw/zinc/71/92/58/962719258.db2.gz RJZWVUBFZGGIFK-CYBMUJFWSA-N -1 0 345.826 3.576 20 0 EHADRM C[C@]1(Cc2ccccc2)CCCN1C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000263565265 962732942 /nfs/dbraw/zinc/73/29/42/962732942.db2.gz FKBXSDVVWSHDAV-ABSDTBQOSA-N -1 0 329.440 3.501 20 0 EHADRM O=C([O-])c1cc(C(=O)N2CCCC[C@@H]2c2cccc(Cl)c2)ccn1 ZINC000263573289 962739216 /nfs/dbraw/zinc/73/92/16/962739216.db2.gz MDYFWSSHKRDFBE-MRXNPFEDSA-N -1 0 344.798 3.801 20 0 EHADRM COc1ccccc1[C@H](CC(C)C)NC(=O)c1ccc(C(=O)[O-])o1 ZINC000263575582 962741464 /nfs/dbraw/zinc/74/14/64/962741464.db2.gz PGKDYWVEARKWFR-ZDUSSCGKSA-N -1 0 331.368 3.504 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2c[nH]cc2-c2ccccc2F)CCCC1 ZINC001517398466 962785278 /nfs/dbraw/zinc/78/52/78/962785278.db2.gz KPGVQNNCVNRRHV-UHFFFAOYSA-N -1 0 344.386 3.586 20 0 EHADRM C=C/C=C/CC(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC001573351417 962978582 /nfs/dbraw/zinc/97/85/82/962978582.db2.gz SWLAPKKAEJLBLD-ONEGZZNKSA-N -1 0 338.407 3.704 20 0 EHADRM O=C([O-])c1csc(COc2ccc(Br)c(Cl)c2)n1 ZINC000313525594 963660313 /nfs/dbraw/zinc/66/03/13/963660313.db2.gz VQAOLXJHWAYZBE-UHFFFAOYSA-N -1 0 348.605 3.836 20 0 EHADRM CC(=O)c1cc(Br)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000314135527 963716250 /nfs/dbraw/zinc/71/62/50/963716250.db2.gz MGZOXPOEPPZCFF-UHFFFAOYSA-N -1 0 349.180 3.929 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)CSc1ccccc1Cl ZINC000314290994 963736432 /nfs/dbraw/zinc/73/64/32/963736432.db2.gz RWTKWBMOCDOMLX-UHFFFAOYSA-N -1 0 339.775 3.908 20 0 EHADRM Cc1nc(Cl)c(Cl)cc1C(=O)Nc1ccccc1C(=O)[O-] ZINC000314318590 963740550 /nfs/dbraw/zinc/74/05/50/963740550.db2.gz RRTWAUFYWCFMGO-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM CC(C)C(=O)Nc1cccc(N[C@@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC000314687949 963791351 /nfs/dbraw/zinc/79/13/51/963791351.db2.gz SKRIBOFJOXLQOU-JTQLQIEISA-N -1 0 333.413 3.609 20 0 EHADRM CC(C)C(=O)Nc1cccc(N[C@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC000314687951 963791480 /nfs/dbraw/zinc/79/14/80/963791480.db2.gz SKRIBOFJOXLQOU-SNVBAGLBSA-N -1 0 333.413 3.609 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2sc3ccccc3c2Cl)nc1 ZINC000314895455 963826132 /nfs/dbraw/zinc/82/61/32/963826132.db2.gz DVQAALXGSHRGBB-UHFFFAOYSA-N -1 0 332.768 3.900 20 0 EHADRM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1ccccc1C(=O)[O-] ZINC000315124579 963858485 /nfs/dbraw/zinc/85/84/85/963858485.db2.gz SVGPLTFNVIGGOI-UHFFFAOYSA-N -1 0 338.190 3.964 20 0 EHADRM O=C([O-])c1ccc(NC(=O)/C=C\c2cc(Cl)cc(Cl)c2)nc1 ZINC000315287835 963875090 /nfs/dbraw/zinc/87/50/90/963875090.db2.gz GZXBGULMUFMGAH-RJRFIUFISA-N -1 0 337.162 3.739 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(Cl)cc2F)c(F)cc1F ZINC000315552392 963913551 /nfs/dbraw/zinc/91/35/51/963913551.db2.gz IVNFAWMELONMOE-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM O=C([O-])C1(CNC(=O)CSc2ccc(Cl)cc2)CCCCC1 ZINC000316492263 964018586 /nfs/dbraw/zinc/01/85/86/964018586.db2.gz PBOCBBPCUUIDLX-UHFFFAOYSA-N -1 0 341.860 3.583 20 0 EHADRM CC[C@@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)[O-] ZINC000225649261 967702270 /nfs/dbraw/zinc/70/22/70/967702270.db2.gz BZMUEJLSTLPIHF-CQSZACIVSA-N -1 0 343.408 3.542 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)c1ccccc1OCc1ccc(Cl)cc1 ZINC000237461342 967782960 /nfs/dbraw/zinc/78/29/60/967782960.db2.gz MADVYDGJNOYHKV-LBPRGKRZSA-N -1 0 347.798 3.512 20 0 EHADRM Cc1ccc(SCC(F)(F)F)c(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])c1 ZINC000262682589 967825417 /nfs/dbraw/zinc/82/54/17/967825417.db2.gz WYNQKLDLVZSCEZ-VHSXEESVSA-N -1 0 347.358 3.699 20 0 EHADRM C[C@H](NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1cccc2ccccc21 ZINC000263095421 967846591 /nfs/dbraw/zinc/84/65/91/967846591.db2.gz APMUASKWNOEWOS-YCPHGPKFSA-N -1 0 340.423 3.653 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cccc(Oc3ccccc3)c2)C1 ZINC000263123776 967850402 /nfs/dbraw/zinc/85/04/02/967850402.db2.gz CMJITLUNXTYYFK-GOEBONIOSA-N -1 0 339.391 3.662 20 0 EHADRM CC(C)[C@H](NC(=O)Nc1ccc(C(F)(F)F)cc1Cl)C(=O)[O-] ZINC000316083498 967977671 /nfs/dbraw/zinc/97/76/71/967977671.db2.gz QPYBHINSQUZYDT-JTQLQIEISA-N -1 0 338.713 3.590 20 0 EHADRM CC(C)C[C@H](CNc1ccc2ncccc2c1[N+](=O)[O-])CC(=O)[O-] ZINC000324949834 968035509 /nfs/dbraw/zinc/03/55/09/968035509.db2.gz DXJUUEOZJUEODI-LBPRGKRZSA-N -1 0 331.372 3.692 20 0 EHADRM CC(=O)c1cccc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC000325491656 968038321 /nfs/dbraw/zinc/03/83/21/968038321.db2.gz KQDRRAWCJWXYGJ-UHFFFAOYSA-N -1 0 326.352 3.550 20 0 EHADRM CCC(=O)c1ccc(C(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC000353161875 968054942 /nfs/dbraw/zinc/05/49/42/968054942.db2.gz NOPGBYOGKHVWRU-UHFFFAOYSA-N -1 0 325.364 3.549 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)C2(c3cccs3)CCCCC2)CC1 ZINC000364187943 968055597 /nfs/dbraw/zinc/05/55/97/968055597.db2.gz IMTLVZFCWOKZFW-UHFFFAOYSA-N -1 0 335.469 3.663 20 0 EHADRM CC(C)(CCNC(=O)N[C@H]1CCC[C@H](c2ccccc2)C1)C(=O)[O-] ZINC000424449837 968369199 /nfs/dbraw/zinc/36/91/99/968369199.db2.gz MJJXRIZNFWEUON-HOTGVXAUSA-N -1 0 332.444 3.513 20 0 EHADRM CCOc1c(Cl)cc(NC(=O)N[C@H](C(=O)[O-])C(C)C)cc1Cl ZINC000562974735 968414652 /nfs/dbraw/zinc/41/46/52/968414652.db2.gz OFJPOCVHRLPHSN-NSHDSACASA-N -1 0 349.214 3.623 20 0 EHADRM O=C([O-])[C@@H]1CCN(Cc2ccc(C(F)(F)F)cn2)c2ccccc21 ZINC000577845390 968465352 /nfs/dbraw/zinc/46/53/52/968465352.db2.gz CCCHUHYFDVHQOM-CQSZACIVSA-N -1 0 336.313 3.679 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1)C1CC1 ZINC000584270021 968483139 /nfs/dbraw/zinc/48/31/39/968483139.db2.gz GEFFOAGVSPGFFX-SNVBAGLBSA-N -1 0 345.399 3.595 20 0 EHADRM CC1(C(=O)[O-])CCN(c2ccc(-c3ccc(Cl)s3)nn2)CC1 ZINC000650773044 968604243 /nfs/dbraw/zinc/60/42/43/968604243.db2.gz MFOFYOUWLVEBAE-UHFFFAOYSA-N -1 0 337.832 3.550 20 0 EHADRM Cc1ccccc1C(C)(C)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655586074 968689546 /nfs/dbraw/zinc/68/95/46/968689546.db2.gz LDGYVQAXVVVSDG-VNQPRFMTSA-N -1 0 331.456 3.524 20 0 EHADRM CC(C)[C@H](CNC(=O)N(Cc1cccc(Cl)c1)C(C)C)C(=O)[O-] ZINC000655891628 968707351 /nfs/dbraw/zinc/70/73/51/968707351.db2.gz GDNMSBIWHJPNPW-HNNXBMFYSA-N -1 0 340.851 3.617 20 0 EHADRM CCN(C(=O)c1cc(-c2ccc(OC)cc2)c(C)s1)[C@@H](C)C(=O)[O-] ZINC000659774642 968748386 /nfs/dbraw/zinc/74/83/86/968748386.db2.gz JFWJUVJOSQSWGL-NSHDSACASA-N -1 0 347.436 3.667 20 0 EHADRM CCOc1cccc2cc([C@H](C)NC(=O)[C@]3(C(=O)[O-])CC3(C)C)oc21 ZINC000663093467 968798983 /nfs/dbraw/zinc/79/89/83/968798983.db2.gz BAEZQSKZNGAGAF-WLRWDXFRSA-N -1 0 345.395 3.510 20 0 EHADRM CSCCCCCCC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000864140272 969321988 /nfs/dbraw/zinc/32/19/88/969321988.db2.gz WEQDDBUIJMNKSL-DLBZAZTESA-N -1 0 349.496 3.627 20 0 EHADRM Cc1cc2cc(NC(=O)N3CCCC[C@@H]3CCC(=O)[O-])ccc2[nH]1 ZINC000899312216 969419143 /nfs/dbraw/zinc/41/91/43/969419143.db2.gz WEKTWHMWYBTMMR-OAHLLOKOSA-N -1 0 329.400 3.728 20 0 EHADRM C[C@H](CC(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21)C(F)(F)F ZINC000902819344 969568330 /nfs/dbraw/zinc/56/83/30/969568330.db2.gz GUDWSANSJZSINO-VXGBXAGGSA-N -1 0 343.345 3.645 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)CCOc1cc(Cl)ccc1Cl ZINC001319355249 969698147 /nfs/dbraw/zinc/69/81/47/969698147.db2.gz CUWWLSPDCNJDJD-UHFFFAOYSA-N -1 0 348.226 3.522 20 0 EHADRM CCc1ccc(NC(=O)c2ccc(Cl)nc2Cl)c(C(=O)[O-])c1 ZINC000319037746 970498687 /nfs/dbraw/zinc/49/86/87/970498687.db2.gz CGJQAEDSEITEME-UHFFFAOYSA-N -1 0 339.178 3.901 20 0 EHADRM Cc1cc(NC(=O)c2cc(C)nc3ccccc32)sc1C(=O)[O-] ZINC000320407971 970661292 /nfs/dbraw/zinc/66/12/92/970661292.db2.gz ANVIZQMKPGTQTC-UHFFFAOYSA-N -1 0 326.377 3.864 20 0 EHADRM CCC(CC)(CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])OC ZINC000320448670 970666258 /nfs/dbraw/zinc/66/62/58/970666258.db2.gz XEHKBQGKWTZSAD-UHFFFAOYSA-N -1 0 330.768 3.564 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2cc(F)ccc2Cl)CCCCC1 ZINC000320622042 970686314 /nfs/dbraw/zinc/68/63/14/970686314.db2.gz CIFACYNVOLLEPX-UHFFFAOYSA-N -1 0 327.783 3.634 20 0 EHADRM Cc1cc(C(=O)[O-])c(NC(=O)C(C)(C)Oc2ccc(F)cc2)s1 ZINC000320810035 970716942 /nfs/dbraw/zinc/71/69/42/970716942.db2.gz KXLFHUPBBQYLJW-UHFFFAOYSA-N -1 0 337.372 3.690 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)Nc1cccc(C(=O)[O-])n1 ZINC000320807613 970717469 /nfs/dbraw/zinc/71/74/69/970717469.db2.gz KPLLZQGTSTXCBP-UHFFFAOYSA-N -1 0 330.727 3.740 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1nc2ccccc2cc1C1CC1)c1ccccc1 ZINC001605825492 972559651 /nfs/dbraw/zinc/55/96/51/972559651.db2.gz AKPCMUXXBKNKNO-SFHVURJKSA-N -1 0 346.386 3.668 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC001605862954 972616556 /nfs/dbraw/zinc/61/65/56/972616556.db2.gz DDMABYCUTIYJBF-LBPRGKRZSA-N -1 0 330.306 3.627 20 0 EHADRM Cc1cc(-c2csc(NC(=O)[C@@]3(C(=O)[O-])CC3(C)C)n2)ccc1F ZINC001605092996 972745769 /nfs/dbraw/zinc/74/57/69/972745769.db2.gz UOSZNGUTURDGHK-QGZVFWFLSA-N -1 0 348.399 3.697 20 0 EHADRM Cc1cc(C(=O)[C@@H](C)SCCC(=O)[O-])c(C)n1Cc1ccco1 ZINC001605101846 972753830 /nfs/dbraw/zinc/75/38/30/972753830.db2.gz HIBSKTNILIPUDP-CYBMUJFWSA-N -1 0 335.425 3.525 20 0 EHADRM C[C@]1(c2ccccc2)CCCN1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001603348244 972764375 /nfs/dbraw/zinc/76/43/75/972764375.db2.gz NYDRXGXLCVCGGM-HXUWFJFHSA-N -1 0 338.407 3.606 20 0 EHADRM COc1ccc(NC(=O)N(C)[C@@H](C)c2ccccc2)c(C(=O)[O-])c1 ZINC000394924028 972766669 /nfs/dbraw/zinc/76/66/69/972766669.db2.gz PIEKLZWAWBLNCO-LBPRGKRZSA-N -1 0 328.368 3.618 20 0 EHADRM C[C@H](CCC(C)(C)C)NC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000395147803 972777962 /nfs/dbraw/zinc/77/79/62/972777962.db2.gz KPZMDMYWUUUXHP-KGLIPLIRSA-N -1 0 326.481 3.734 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC001603354196 972788029 /nfs/dbraw/zinc/78/80/29/972788029.db2.gz GJJLPOGEFNFABI-AGRHKRQWSA-N -1 0 335.403 3.714 20 0 EHADRM O=C([O-])C1(C(=O)N2CCc3sc(Cl)cc3C2)CCCCCC1 ZINC001605916834 972796984 /nfs/dbraw/zinc/79/69/84/972796984.db2.gz DCAXTCPHYFGNCR-UHFFFAOYSA-N -1 0 341.860 3.711 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NCCOc2cccc3ccccc32)c1 ZINC001605138916 972805825 /nfs/dbraw/zinc/80/58/25/972805825.db2.gz WPTFRWIXEYAZQM-UHFFFAOYSA-N -1 0 349.386 3.655 20 0 EHADRM C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001603355855 972808117 /nfs/dbraw/zinc/80/81/17/972808117.db2.gz UKWVXOZDRSPNRE-PSASIEDQSA-N -1 0 348.296 3.719 20 0 EHADRM CC(C)[C@H]1CCCCN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000395778628 972828793 /nfs/dbraw/zinc/82/87/93/972828793.db2.gz BSLSFAOCDDEECA-GFCCVEGCSA-N -1 0 326.343 3.705 20 0 EHADRM Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)Nc1cccnc1C(=O)[O-] ZINC001605179610 972894000 /nfs/dbraw/zinc/89/40/00/972894000.db2.gz QZOUFHBXBPCFDR-HNNXBMFYSA-N -1 0 343.358 3.596 20 0 EHADRM Cc1cc(NCc2cnn(-c3ccc(F)cc3)c2)ccc1C(=O)[O-] ZINC001605213609 972958986 /nfs/dbraw/zinc/95/89/86/972958986.db2.gz XYOFIXNQXVBZSE-UHFFFAOYSA-N -1 0 325.343 3.630 20 0 EHADRM Cc1ccc(Br)c(OC(=O)Cc2ccccc2C(=O)[O-])c1 ZINC001605242990 973004749 /nfs/dbraw/zinc/00/47/49/973004749.db2.gz VQXHAZFJSJZDKW-UHFFFAOYSA-N -1 0 349.180 3.604 20 0 EHADRM CCO[C@H](c1noc([C@@H]2CCCC[C@@H]2C(=O)[O-])n1)c1ccccc1 ZINC000397518859 973005913 /nfs/dbraw/zinc/00/59/13/973005913.db2.gz BSFSLCPBDMEIOC-ILXRZTDVSA-N -1 0 330.384 3.554 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1CNC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001603392851 973021737 /nfs/dbraw/zinc/02/17/37/973021737.db2.gz WPKJAJODHZWIDF-HFTRVMKXSA-N -1 0 347.455 3.588 20 0 EHADRM Cc1ccc(CNC(=O)N2CCC[C@H](CC(=O)[O-])C2)c2ccccc12 ZINC001605273334 973062113 /nfs/dbraw/zinc/06/21/13/973062113.db2.gz BLEMLBOTVQDXAY-OAHLLOKOSA-N -1 0 340.423 3.545 20 0 EHADRM COC(=O)c1ccc2c(c1)CCCCN2Cc1ccc(C(=O)[O-])cc1 ZINC001604389869 973112733 /nfs/dbraw/zinc/11/27/33/973112733.db2.gz CVSBLIJMHXWSDC-UHFFFAOYSA-N -1 0 339.391 3.514 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)[C@]3(C(=O)[O-])C[C@H]3C)cn2)cc1C ZINC001605302699 973115814 /nfs/dbraw/zinc/11/58/14/973115814.db2.gz AHIZAUGDUDKMOA-YJYMSZOUSA-N -1 0 340.379 3.540 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC001605320436 973155115 /nfs/dbraw/zinc/15/51/15/973155115.db2.gz OFFFBSIKHXOWNH-UHFFFAOYSA-N -1 0 341.260 3.702 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)c2ccccc21 ZINC000398595797 973157335 /nfs/dbraw/zinc/15/73/35/973157335.db2.gz UJUOMDYCJKGXCC-VIFPVBQESA-N -1 0 332.306 3.819 20 0 EHADRM Cc1cccc([C@@H](NC(=O)CCc2ccc(Cl)s2)C(=O)[O-])c1 ZINC001605329496 973199263 /nfs/dbraw/zinc/19/92/63/973199263.db2.gz XFVVYQZIPKTBGR-OAHLLOKOSA-N -1 0 337.828 3.585 20 0 EHADRM O=C([O-])CC1(C(=O)N2CCC(c3cccc(Cl)c3)CC2)CCC1 ZINC001606070354 973210870 /nfs/dbraw/zinc/21/08/70/973210870.db2.gz CZQAUGBCBBYHRV-UHFFFAOYSA-N -1 0 335.831 3.691 20 0 EHADRM C[C@H](CN(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F)C(C)(C)C ZINC000399435788 973219307 /nfs/dbraw/zinc/21/93/07/973219307.db2.gz KJGBSRMQIAWHFA-SECBINFHSA-N -1 0 328.359 3.809 20 0 EHADRM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC001605348012 973247154 /nfs/dbraw/zinc/24/71/54/973247154.db2.gz XWYZMTUPIUQVCA-HRLGVUPISA-N -1 0 329.440 3.688 20 0 EHADRM C[C@@H]1CN(C(=O)NC[C@@H]2CCCC[C@H]2C(C)(C)C)CC[C@@H]1C(=O)[O-] ZINC001603450218 973248444 /nfs/dbraw/zinc/24/84/44/973248444.db2.gz PPZHPEPDHAOCLQ-FXUDXRNXSA-N -1 0 338.492 3.591 20 0 EHADRM Cc1cnc(F)cc1C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001605374200 973322161 /nfs/dbraw/zinc/32/21/61/973322161.db2.gz SYLROPGZDQWLIJ-MRVPVSSYSA-N -1 0 348.399 3.666 20 0 EHADRM Cc1cnc(F)c(C(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)c1 ZINC001605374245 973323740 /nfs/dbraw/zinc/32/37/40/973323740.db2.gz YCMSZICEKSKPHI-MRVPVSSYSA-N -1 0 348.399 3.666 20 0 EHADRM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)C1(CC(=O)[O-])CCC1 ZINC001605397451 973375818 /nfs/dbraw/zinc/37/58/18/973375818.db2.gz LYXGRHJZBQSMMK-LBPRGKRZSA-N -1 0 338.473 3.739 20 0 EHADRM Cc1nc2ccc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc2s1 ZINC001605416371 973424285 /nfs/dbraw/zinc/42/42/85/973424285.db2.gz LSNPSSRZUTVQJC-ZDUSSCGKSA-N -1 0 334.441 3.614 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OCCc1c(F)cccc1F ZINC000402103431 973596398 /nfs/dbraw/zinc/59/63/98/973596398.db2.gz ROEITPPFNRLVHJ-VURMDHGXSA-N -1 0 334.318 3.693 20 0 EHADRM CC[C@H](CNC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)CC(F)(F)F ZINC000402862362 973655049 /nfs/dbraw/zinc/65/50/49/973655049.db2.gz ZTZADGITQVUOLR-NSHDSACASA-N -1 0 346.349 3.505 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)N1CCc2ccccc2[C@@H](C)C1 ZINC000404820006 973752032 /nfs/dbraw/zinc/75/20/32/973752032.db2.gz DCCDDVOSPKWGRP-AWEZNQCLSA-N -1 0 338.407 3.887 20 0 EHADRM Cc1ccc(NC(=O)c2cscc2Br)c(C(=O)[O-])c1 ZINC000404959335 973757090 /nfs/dbraw/zinc/75/70/90/973757090.db2.gz ULQJWAUYHYOBIH-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001603593393 973802340 /nfs/dbraw/zinc/80/23/40/973802340.db2.gz CXDOIUGXMAVEAU-HUUCEWRRSA-N -1 0 335.444 3.548 20 0 EHADRM O=C([O-])[C@H](CNC(=O)CCc1ccc(Cl)cc1Cl)CC1CC1 ZINC000405287801 973815399 /nfs/dbraw/zinc/81/53/99/973815399.db2.gz WMPLIKIWFZNPRF-LBPRGKRZSA-N -1 0 344.238 3.543 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)Nc1ccc(-c2ccccc2)cc1)CC1CC1 ZINC000405324572 973829278 /nfs/dbraw/zinc/82/92/78/973829278.db2.gz TUNSARQJTGLCKR-QGZVFWFLSA-N -1 0 338.407 3.976 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cccc(OC3CCCC3)c2)C1 ZINC001603602164 973864940 /nfs/dbraw/zinc/86/49/40/973864940.db2.gz SKBQTXMGJBLXKS-FQEVSTJZSA-N -1 0 345.439 3.725 20 0 EHADRM CC[C@@]1(Cc2ccccc2)CCCN1C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC001603617144 973899431 /nfs/dbraw/zinc/89/94/31/973899431.db2.gz PXRJTWDFSBBPHD-PXNSSMCTSA-N -1 0 346.471 3.540 20 0 EHADRM CC(C)(CC(=O)Nc1ccc(Br)cc1C(=O)[O-])C1CC1 ZINC000405800224 973907293 /nfs/dbraw/zinc/90/72/93/973907293.db2.gz UZVWIZLUACWLDS-UHFFFAOYSA-N -1 0 340.217 3.912 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1nc2c(s1)CCC[C@@H]2CC)C(=O)[O-] ZINC001603619784 973916991 /nfs/dbraw/zinc/91/69/91/973916991.db2.gz KNSUPTDICXSKJV-NHCYSSNCSA-N -1 0 339.461 3.594 20 0 EHADRM O=C([O-])c1cc(NC(=O)C2(c3ccccc3F)CCCC2)ccc1O ZINC001606465124 973924598 /nfs/dbraw/zinc/92/45/98/973924598.db2.gz MRIPILNXMUUYDY-UHFFFAOYSA-N -1 0 343.354 3.680 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2c(Cl)oc3ccccc32)ccc1O ZINC001606465747 973932303 /nfs/dbraw/zinc/93/23/03/973932303.db2.gz CBVUJILQHZRGCB-UHFFFAOYSA-N -1 0 331.711 3.742 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@H]2CCCc3sccc32)c1 ZINC000414454961 973939663 /nfs/dbraw/zinc/93/96/63/973939663.db2.gz SAXSWWZBKKQVLI-ABAIWWIYSA-N -1 0 329.421 3.995 20 0 EHADRM O=C([O-])CCCCCNC(=O)N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000414606132 973941136 /nfs/dbraw/zinc/94/11/36/973941136.db2.gz DDIQFECQYZAKQU-IRXDYDNUSA-N -1 0 332.444 3.657 20 0 EHADRM CCOc1ccc(CNc2cc(C(=O)[O-])cc(OC)c2OC)cc1F ZINC000417561025 973962354 /nfs/dbraw/zinc/96/23/54/973962354.db2.gz ACFPDLQDYFQILF-UHFFFAOYSA-N -1 0 349.358 3.552 20 0 EHADRM CC(C)(C)c1ncc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)s1 ZINC000417705793 973966739 /nfs/dbraw/zinc/96/67/39/973966739.db2.gz NYJMPHBZEZOZCN-UHFFFAOYSA-N -1 0 345.468 3.701 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N2CC[C@H]2c2ccc(Cl)cc2)cc1 ZINC001606489289 973973207 /nfs/dbraw/zinc/97/32/07/973973207.db2.gz SFZSDBARVKANBD-INIZCTEOSA-N -1 0 344.798 3.695 20 0 EHADRM COc1ccc([C@@H](NC(=O)[C@H](C(=O)[O-])C2CCCC2)C2CCC2)cc1 ZINC001604772819 973994781 /nfs/dbraw/zinc/99/47/81/973994781.db2.gz RHPPRCNRQFNYMD-MSOLQXFVSA-N -1 0 345.439 3.544 20 0 EHADRM CCSc1cccc(F)c1NC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000424385052 974023667 /nfs/dbraw/zinc/02/36/67/974023667.db2.gz GCOAGXMQHZXZJC-LLVKDONJSA-N -1 0 342.436 3.806 20 0 EHADRM Cc1ccc(C2CC2)c(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)c1 ZINC000425249768 974041868 /nfs/dbraw/zinc/04/18/68/974041868.db2.gz DUDTVVYFYPVBOB-UHFFFAOYSA-N -1 0 327.355 3.891 20 0 EHADRM COCc1cc(NC(=O)c2cc3cc(C)ccc3o2)cc(C(=O)[O-])c1 ZINC000427664151 974052949 /nfs/dbraw/zinc/05/29/49/974052949.db2.gz HFTHOSUZPOISLB-UHFFFAOYSA-N -1 0 339.347 3.838 20 0 EHADRM C[C@H]1CCC[C@@H](C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)C1 ZINC000427775755 974059037 /nfs/dbraw/zinc/05/90/37/974059037.db2.gz VGGFXIBFIZAEBG-JSQNDZKTSA-N -1 0 349.858 3.793 20 0 EHADRM CCC[C@](C)(NC(=O)Cc1csc2ccc(Cl)cc12)C(=O)[O-] ZINC000431452680 974065287 /nfs/dbraw/zinc/06/52/87/974065287.db2.gz XTSZCNHGPQZYIL-INIZCTEOSA-N -1 0 339.844 3.857 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)Cc1csc2ccc(Cl)cc12)C(=O)[O-] ZINC000431465170 974066247 /nfs/dbraw/zinc/06/62/47/974066247.db2.gz MTEHOJGBSAHKHW-RFAUZJTJSA-N -1 0 339.844 3.713 20 0 EHADRM Cc1cc2cc(C(=O)N(C)C3(C(=O)[O-])CCCCC3)oc2cc1C ZINC000431978877 974079956 /nfs/dbraw/zinc/07/99/56/974079956.db2.gz AGXKAMLJNUPDCB-UHFFFAOYSA-N -1 0 329.396 3.909 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC000431986539 974080609 /nfs/dbraw/zinc/08/06/09/974080609.db2.gz MXKRLNINMFXGPU-OAHLLOKOSA-N -1 0 347.455 3.510 20 0 EHADRM CN(C(=O)c1cccc(OC2CCCC2)c1)C1(C(=O)[O-])CCCCC1 ZINC000431987386 974080745 /nfs/dbraw/zinc/08/07/45/974080745.db2.gz PSDDPBVUCSEFJG-UHFFFAOYSA-N -1 0 345.439 3.868 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)Cc2cccc3cccnc32)cc1)C(=O)[O-] ZINC000431987244 974080841 /nfs/dbraw/zinc/08/08/41/974080841.db2.gz PKDZSLNLEIBHTF-CQSZACIVSA-N -1 0 348.402 3.679 20 0 EHADRM C[C@]1(NC(=O)c2ccc3ccc(Cl)cc3n2)CCCC[C@@H]1C(=O)[O-] ZINC000432105043 974086621 /nfs/dbraw/zinc/08/66/21/974086621.db2.gz CMOILRFAFDDPNY-ACJLOTCBSA-N -1 0 346.814 3.652 20 0 EHADRM Cc1ccc(C)c([C@@H](C)N(C)C(=O)Cc2cccc(C(=O)[O-])c2)c1 ZINC000432120589 974088965 /nfs/dbraw/zinc/08/89/65/974088965.db2.gz QTEYUUGLPFVGOT-OAHLLOKOSA-N -1 0 325.408 3.764 20 0 EHADRM C[C@]1(NC(=O)c2cccc(OC3CCCC3)c2)CCCC[C@H]1C(=O)[O-] ZINC000432120240 974089059 /nfs/dbraw/zinc/08/90/59/974089059.db2.gz OCAATUOBZPCQLE-PXNSSMCTSA-N -1 0 345.439 3.771 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2/C=C\c2ccccc2)s1 ZINC000432128878 974091649 /nfs/dbraw/zinc/09/16/49/974091649.db2.gz HWOXNOBCJNEIKW-QIAWRQBBSA-N -1 0 327.405 3.764 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000439707523 974108476 /nfs/dbraw/zinc/10/84/76/974108476.db2.gz MUGGSXZKMIEHGQ-XJKSGUPXSA-N -1 0 341.432 3.630 20 0 EHADRM CC(C)c1ccc(C[C@@H](C)NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000439808775 974109893 /nfs/dbraw/zinc/10/98/93/974109893.db2.gz WMZJJMSMOLJBSN-FHLIZLRMSA-N -1 0 331.456 3.748 20 0 EHADRM CC[C@H](CC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc(OC)cc1 ZINC000439927809 974112861 /nfs/dbraw/zinc/11/28/61/974112861.db2.gz XPWUZGPYTJQTMP-CYBMUJFWSA-N -1 0 327.380 3.916 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cccc(Nc2ccccc2)c1 ZINC000442755577 974119702 /nfs/dbraw/zinc/11/97/02/974119702.db2.gz YYDJQIAONTYTEI-CQSZACIVSA-N -1 0 326.396 3.756 20 0 EHADRM CC1(C)CN(C(=O)c2ccc(C(=O)[O-])cc2F)CC[C@H]1C(F)(F)F ZINC000450545263 974148291 /nfs/dbraw/zinc/14/82/91/974148291.db2.gz WHDRSTFVGFQIOM-GFCCVEGCSA-N -1 0 347.308 3.575 20 0 EHADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)CCCc1ccc(C(C)(C)C)cc1 ZINC000455892633 974164430 /nfs/dbraw/zinc/16/44/30/974164430.db2.gz NCZFYTSKEQAXBM-YOEHRIQHSA-N -1 0 331.456 3.628 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000455912211 974167103 /nfs/dbraw/zinc/16/71/03/974167103.db2.gz WDPVJSGHKJDOOP-OAHLLOKOSA-N -1 0 335.444 3.585 20 0 EHADRM O=C([O-])c1ccc([C@H](NC(=O)CC2=CCCCC2)C(F)(F)F)cc1 ZINC000455916340 974168203 /nfs/dbraw/zinc/16/82/03/974168203.db2.gz FEPPSBKBVMSIIL-HNNXBMFYSA-N -1 0 341.329 3.995 20 0 EHADRM Cc1cc(C)c(C(=O)N[C@@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])c(C)c1 ZINC000455931101 974172069 /nfs/dbraw/zinc/17/20/69/974172069.db2.gz IPALLHYESIKWDJ-FUHWJXTLSA-N -1 0 339.435 3.674 20 0 EHADRM CCOc1ccccc1CCC(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000471985138 974198087 /nfs/dbraw/zinc/19/80/87/974198087.db2.gz KBPSAFQEWQCUFH-UHFFFAOYSA-N -1 0 341.407 3.972 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)c2ccc(C(=O)[O-])cc2F)c(C)c1 ZINC000478862533 974214004 /nfs/dbraw/zinc/21/40/04/974214004.db2.gz IAVFPNFMAVIZNX-CYBMUJFWSA-N -1 0 329.371 3.502 20 0 EHADRM CCc1ccsc1C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000485733230 974235036 /nfs/dbraw/zinc/23/50/36/974235036.db2.gz MOULDORBOQEKGQ-ZDUSSCGKSA-N -1 0 331.437 3.674 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(-c3ccccc3Cl)on2)cc1 ZINC000500630998 974267670 /nfs/dbraw/zinc/26/76/70/974267670.db2.gz FUWKPGAJXCRZFJ-UHFFFAOYSA-N -1 0 342.738 3.946 20 0 EHADRM CCO[C@H](C)c1nc(CN(C)[C@@H](C(=O)[O-])c2ccccc2C)cs1 ZINC000515491480 974299190 /nfs/dbraw/zinc/29/91/90/974299190.db2.gz GPZDWZGWDUJROO-CZUORRHYSA-N -1 0 348.468 3.807 20 0 EHADRM C[C@@H](C(=O)NCC1(CC(=O)[O-])CCCCC1)c1c(F)cccc1F ZINC000515595227 974300632 /nfs/dbraw/zinc/30/06/32/974300632.db2.gz OWXJBEVDUSLOKL-GFCCVEGCSA-N -1 0 339.382 3.610 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000537480171 974385550 /nfs/dbraw/zinc/38/55/50/974385550.db2.gz WUDJKYRDPQSVIF-LJQANCHMSA-N -1 0 339.435 3.715 20 0 EHADRM C[C@@H]1CCN(C(=O)CCc2ccccc2C(=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000537475697 974385633 /nfs/dbraw/zinc/38/56/33/974385633.db2.gz PLIQNXVFVKNWOP-HFTRVMKXSA-N -1 0 329.440 3.745 20 0 EHADRM CC[C@@H](NC(=O)Nc1cc(Cl)ccc1OCC1CCC1)C(=O)[O-] ZINC001603906837 974409065 /nfs/dbraw/zinc/40/90/65/974409065.db2.gz MVSCWUQRDKZRAA-GFCCVEGCSA-N -1 0 340.807 3.504 20 0 EHADRM COc1ccc(C(=O)NCCc2cccc(C(=O)[O-])c2)c2ccccc12 ZINC000540777441 974409592 /nfs/dbraw/zinc/40/95/92/974409592.db2.gz RWQWKCUEFBBWEP-UHFFFAOYSA-N -1 0 349.386 3.519 20 0 EHADRM Cc1ccc(CC(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)o1 ZINC000558001180 974493051 /nfs/dbraw/zinc/49/30/51/974493051.db2.gz CAWAWYVAMZVMAJ-QGZVFWFLSA-N -1 0 343.423 3.760 20 0 EHADRM CC(C)c1c(C(=O)Nc2cccc(C(=O)[O-])c2)cnn1-c1ccccc1 ZINC000558417278 974494141 /nfs/dbraw/zinc/49/41/41/974494141.db2.gz VGLKFYMIJJZROX-UHFFFAOYSA-N -1 0 349.390 3.946 20 0 EHADRM CCCC[C@@H](Sc1nc(-c2cccnc2)nc(C)c1C)C(=O)[O-] ZINC000565490921 974583788 /nfs/dbraw/zinc/58/37/88/974583788.db2.gz MBCMJDOPWXGUQL-CQSZACIVSA-N -1 0 331.441 3.891 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1Cc1cc(-c2ccco2)on1 ZINC000566511242 974615861 /nfs/dbraw/zinc/61/58/61/974615861.db2.gz NMAPIFMJGOUYFX-HOTGVXAUSA-N -1 0 338.363 3.725 20 0 EHADRM CCCC[C@H](Sc1nn2cc(-c3cccnc3)nc2s1)C(=O)[O-] ZINC000568108762 974662774 /nfs/dbraw/zinc/66/27/74/974662774.db2.gz LYMIAFQHMNKWOG-LBPRGKRZSA-N -1 0 348.453 3.588 20 0 EHADRM Cc1ccccc1[C@H](C(=O)[O-])N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000570100102 974705079 /nfs/dbraw/zinc/70/50/79/974705079.db2.gz HCJDDJWOZAZIFQ-QZTJIDSGSA-N -1 0 345.826 3.848 20 0 EHADRM O=C([O-])CC1(CNC(=O)[C@H](c2ccccc2)C2CC2)CCCCC1 ZINC000570277577 974707969 /nfs/dbraw/zinc/70/79/69/974707969.db2.gz JHRIEPWTYHNCGO-GOSISDBHSA-N -1 0 329.440 3.722 20 0 EHADRM CCO[C@@H](C)c1nc(CN(C)CCc2ccccc2C(=O)[O-])cs1 ZINC000571453288 974729598 /nfs/dbraw/zinc/72/95/98/974729598.db2.gz PVGJCHHFBYUWNT-ZDUSSCGKSA-N -1 0 348.468 3.613 20 0 EHADRM Cc1ccc(Nc2nc(C[N@@H+]3CCC[C@H]3CC(=O)[O-])cs2)cc1 ZINC000572049745 974740848 /nfs/dbraw/zinc/74/08/48/974740848.db2.gz XGVKZUARLWMKSU-HNNXBMFYSA-N -1 0 331.441 3.634 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)C[C@H](c2ccc(O)cc2)C2CC2)c1 ZINC000909320236 1014213166 /nfs/dbraw/zinc/21/31/66/1014213166.db2.gz HFPGXTRZYXFWHQ-HNNXBMFYSA-N -1 0 343.354 3.752 20 0 EHADRM O=C([O-])[C@H](c1cccnc1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000574332983 974780484 /nfs/dbraw/zinc/78/04/84/974780484.db2.gz YYVFHIPWRWDWFD-HOCLYGCPSA-N -1 0 339.420 3.654 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)NC3(CC(=O)[O-])CC3)c(F)c2)cc1 ZINC000576352520 974813712 /nfs/dbraw/zinc/81/37/12/974813712.db2.gz UNAQEDAXNNIFRJ-UHFFFAOYSA-N -1 0 327.355 3.538 20 0 EHADRM CC(C)n1ccc(CN2CCC(Cc3ccccc3C(=O)[O-])CC2)n1 ZINC000576600032 974818265 /nfs/dbraw/zinc/81/82/65/974818265.db2.gz SMZQXYFRIGZFIT-UHFFFAOYSA-N -1 0 341.455 3.617 20 0 EHADRM O=C([O-])c1csc(CN2CCC[C@@H]2c2nc3ccccc3s2)n1 ZINC000577226263 974832217 /nfs/dbraw/zinc/83/22/17/974832217.db2.gz FOTUPSHIFMSZCL-GFCCVEGCSA-N -1 0 345.449 3.788 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N(C)[C@H](C)c2ccccc2)cc1C ZINC000107963522 1014219029 /nfs/dbraw/zinc/21/90/29/1014219029.db2.gz DRJPHGHHVZDKIM-MWTRTKDXSA-N -1 0 329.465 3.631 20 0 EHADRM CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3CC(=O)[O-])cs2)cc1 ZINC000577642757 974840418 /nfs/dbraw/zinc/84/04/18/974840418.db2.gz UCPNHOLTJFNACI-OAHLLOKOSA-N -1 0 346.452 3.648 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)cc1Cl ZINC000578326356 974852967 /nfs/dbraw/zinc/85/29/67/974852967.db2.gz RVNAIICRMSUBOK-LJQANCHMSA-N -1 0 343.810 3.517 20 0 EHADRM O=C([O-])CC1(CC(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)CCCC1 ZINC000579189738 974870336 /nfs/dbraw/zinc/87/03/36/974870336.db2.gz QWXKRMQMRBSCOL-LSDHHAIUSA-N -1 0 335.831 3.737 20 0 EHADRM O=C([O-])c1cncnc1N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000581491564 974911144 /nfs/dbraw/zinc/91/11/44/974911144.db2.gz ZHBUIRGPEXPDPP-UHFFFAOYSA-N -1 0 349.843 3.589 20 0 EHADRM Cc1ccc(C)c(S([O-])=CC(=O)N[C@@H](c2ccccc2)C(C)C)c1 ZINC000107964772 1014226798 /nfs/dbraw/zinc/22/67/98/1014226798.db2.gz VZARBQRBIJDMLK-YKSBVNFPSA-N -1 0 343.492 3.925 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccsc2)c1 ZINC000600868381 975007840 /nfs/dbraw/zinc/00/78/40/975007840.db2.gz DDOMIUURGWLQMB-LSDHHAIUSA-N -1 0 347.461 3.808 20 0 EHADRM CSCc1cc(C(=O)N(CC(=O)[O-])C2CCCCC2)ccc1F ZINC000611463507 975017842 /nfs/dbraw/zinc/01/78/42/975017842.db2.gz CPYSMTKAHJVIRT-UHFFFAOYSA-N -1 0 339.432 3.548 20 0 EHADRM CCCC[C@@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(OC)cc1)C(C)C ZINC000621533143 975027173 /nfs/dbraw/zinc/02/71/73/975027173.db2.gz XSFSSYSZRWQBNR-IAGOWNOFSA-N -1 0 335.444 3.790 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)c3cccc(C(=O)[O-])c3)cc2)oc1C ZINC000621535192 975027665 /nfs/dbraw/zinc/02/76/65/975027665.db2.gz HZUAARXLDBZTJV-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM CCCC[C@H](C(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1)C(C)C ZINC000621537975 975028794 /nfs/dbraw/zinc/02/87/94/975028794.db2.gz BYDAIEQMWWVIOQ-YOEHRIQHSA-N -1 0 335.444 3.790 20 0 EHADRM O=C([O-])[C@H]1CCCCCN1C(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000621568064 975035344 /nfs/dbraw/zinc/03/53/44/975035344.db2.gz LCLHDVLHNTZFMV-ZIAGYGMSSA-N -1 0 343.345 3.578 20 0 EHADRM CSc1ccc(CCCC(=O)N2CCCCC[C@H]2C(=O)[O-])cc1 ZINC000621570397 975036173 /nfs/dbraw/zinc/03/61/73/975036173.db2.gz WPQNXCDRKSTHOF-INIZCTEOSA-N -1 0 335.469 3.587 20 0 EHADRM CCc1oc(C(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)cc1C ZINC000621589424 975047507 /nfs/dbraw/zinc/04/75/07/975047507.db2.gz WPMSCECNZAFLMI-GJZGRUSLSA-N -1 0 327.380 3.581 20 0 EHADRM C[C@H]1CCc2c(sc3ncnc(N4CCC(CC(=O)[O-])CC4)c32)C1 ZINC000621620534 975063839 /nfs/dbraw/zinc/06/38/39/975063839.db2.gz YEEYNKQNHZXERQ-NSHDSACASA-N -1 0 345.468 3.507 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(OC3CCCC3)cc2)oc1C(=O)[O-] ZINC000630105827 975102837 /nfs/dbraw/zinc/10/28/37/975102837.db2.gz BGMLROJETRJRDR-UHFFFAOYSA-N -1 0 329.352 3.860 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000630135211 975119742 /nfs/dbraw/zinc/11/97/42/975119742.db2.gz KEIFBGNBFKJDGA-RTBURBONSA-N -1 0 337.419 3.927 20 0 EHADRM CC1(C)[C@H](C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)[C@H]1c1ccccc1 ZINC000630156502 975133426 /nfs/dbraw/zinc/13/34/26/975133426.db2.gz LRJQUWNBDWFDDG-MOPGFXCFSA-N -1 0 349.430 3.709 20 0 EHADRM C[C@]1(NC(=O)Cc2coc3cc(Cl)ccc23)CCCC[C@@H]1C(=O)[O-] ZINC000630163399 975138086 /nfs/dbraw/zinc/13/80/86/975138086.db2.gz JNDIXVAMRYZILQ-KDOFPFPSSA-N -1 0 349.814 3.778 20 0 EHADRM Cc1cc(C(=O)N2C[C@H](C)C[C@H]2c2cccc(F)c2)oc1C(=O)[O-] ZINC000630169731 975141037 /nfs/dbraw/zinc/14/10/37/975141037.db2.gz FKLGOXAMXPGTGO-YGRLFVJLSA-N -1 0 331.343 3.649 20 0 EHADRM Cc1ccccc1CO[C@H](C)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000630194786 975152559 /nfs/dbraw/zinc/15/25/59/975152559.db2.gz VHGYQVGXFZTADF-HUUCEWRRSA-N -1 0 341.407 3.727 20 0 EHADRM Cc1cc(C(=O)N(Cc2ccccc2Cl)CC2CC2)oc1C(=O)[O-] ZINC000630228023 975176250 /nfs/dbraw/zinc/17/62/50/975176250.db2.gz BFAGJNZIIWTSSD-UHFFFAOYSA-N -1 0 347.798 3.992 20 0 EHADRM O=C([O-])c1ccc(F)c2c1CN(C(=O)C1[C@@H]3CCCCCC[C@@H]13)CC2 ZINC000630240759 975185658 /nfs/dbraw/zinc/18/56/58/975185658.db2.gz GEWCVRWINAVYDR-ZIAGYGMSSA-N -1 0 345.414 3.625 20 0 EHADRM C[C@@H](Oc1ccc(NC(=O)c2ccc(C3CC3)cc2)cc1F)C(=O)[O-] ZINC000630260636 975204707 /nfs/dbraw/zinc/20/47/07/975204707.db2.gz LTSWECOPUOTSBR-LLVKDONJSA-N -1 0 343.354 3.807 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)C/C=C/c1ccc(F)cc1)C1CCCCC1 ZINC000630264860 975207845 /nfs/dbraw/zinc/20/78/45/975207845.db2.gz JCZVGLUALBPIGS-BDUNBXCCSA-N -1 0 333.403 3.626 20 0 EHADRM CC1(C)[C@@H](c2ccc(F)cc2)CCN1C(=O)c1cccc(C(=O)[O-])c1 ZINC000630267209 975211037 /nfs/dbraw/zinc/21/10/37/975211037.db2.gz HSJJQGBONXAQBD-QGZVFWFLSA-N -1 0 341.382 3.932 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C3CCC3)CC2)[C@H]2CCC[C@H]21 ZINC000630284576 975229069 /nfs/dbraw/zinc/22/90/69/975229069.db2.gz NUWYUFJVTCUNII-TXTZMMAHSA-N -1 0 333.472 3.695 20 0 EHADRM Cc1ccc2c(C(=O)N3CC[C@H](C(=O)[O-])[C@@H]4CCC[C@H]43)csc2c1 ZINC000630284919 975229794 /nfs/dbraw/zinc/22/97/94/975229794.db2.gz ORRNVJCARWNKLA-DUVNUKRYSA-N -1 0 343.448 3.925 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)N2C3CCC2(C(=O)[O-])CC3)cc1 ZINC000630326479 975253535 /nfs/dbraw/zinc/25/35/35/975253535.db2.gz YSIQMSRCFPUGDU-JTOQLSFASA-N -1 0 329.440 3.912 20 0 EHADRM Cc1cc(CNC(=O)c2cc3c(s2)CCCCC3)oc1C(=O)[O-] ZINC000630332945 975261699 /nfs/dbraw/zinc/26/16/99/975261699.db2.gz KGLYXFKEPOKEAE-UHFFFAOYSA-N -1 0 333.409 3.547 20 0 EHADRM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)CCCC1CCCCC1 ZINC000630333709 975262065 /nfs/dbraw/zinc/26/20/65/975262065.db2.gz DPZXQOROLQOKRO-UHFFFAOYSA-N -1 0 335.448 3.664 20 0 EHADRM CC(=O)Nc1cccc(CNc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000630458554 975265524 /nfs/dbraw/zinc/26/55/24/975265524.db2.gz NANYRQJFENAYMW-UHFFFAOYSA-N -1 0 326.396 3.619 20 0 EHADRM Cc1ccc(-c2nc(C[N@H+]3CC[C@H](C)[C@H](C(=O)[O-])C3)cs2)cc1 ZINC000579711672 1014248025 /nfs/dbraw/zinc/24/80/25/1014248025.db2.gz HMDJYJGLGZKUME-XJKSGUPXSA-N -1 0 330.453 3.661 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C2CC(c3ccc(F)cc3)C2)C1 ZINC000634803942 975276916 /nfs/dbraw/zinc/27/69/16/975276916.db2.gz QMSUWFKDMLPAGQ-UYSNPLJNSA-N -1 0 347.430 3.669 20 0 EHADRM O=C([O-])CC1(CC(=O)N2CCc3c(Cl)cccc3C2)CCCC1 ZINC000634897659 975280735 /nfs/dbraw/zinc/28/07/35/975280735.db2.gz PJMGLVQPUQPQJF-UHFFFAOYSA-N -1 0 335.831 3.650 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N2CCc3sc(Cl)cc3C2)CC1 ZINC000584294415 1032087434 /nfs/dbraw/zinc/08/74/34/1032087434.db2.gz RXPICAOQMMYMPE-UHFFFAOYSA-N -1 0 341.860 3.567 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NC[C@@H]1CC2CCC1CC2)C(=O)[O-] ZINC000649255905 975395231 /nfs/dbraw/zinc/39/52/31/975395231.db2.gz DDFGOAIBPVEVKY-PPWQZUPISA-N -1 0 347.480 3.808 20 0 EHADRM Cc1cc(C)cc(CCC(=O)N2CCc3cccc(C(=O)[O-])c3C2)c1 ZINC000649258719 975401335 /nfs/dbraw/zinc/40/13/35/975401335.db2.gz ABMDCALEVMETIC-UHFFFAOYSA-N -1 0 337.419 3.519 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N(C)Cc3cccs3)c12 ZINC000649382897 975408562 /nfs/dbraw/zinc/40/85/62/975408562.db2.gz CQGIPCHZRYSGQF-UHFFFAOYSA-N -1 0 333.438 3.704 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2ccc3c(c2)CCC=C3)C1 ZINC000649364621 975408594 /nfs/dbraw/zinc/40/85/94/975408594.db2.gz FGBDCWPTXAXKIV-KRWDZBQOSA-N -1 0 327.424 3.609 20 0 EHADRM COc1cc(Cl)c(Cl)cc1NC(=O)NC1(CC(=O)[O-])CCC1 ZINC000649543270 975428143 /nfs/dbraw/zinc/42/81/43/975428143.db2.gz GOEGWVXONGMIBH-UHFFFAOYSA-N -1 0 347.198 3.521 20 0 EHADRM Cc1cc([C@H](C)N2CCO[C@H](c3ccccc3C)C2)oc1C(=O)[O-] ZINC000652417279 975528291 /nfs/dbraw/zinc/52/82/91/975528291.db2.gz IFPSSVILMGKQFK-YOEHRIQHSA-N -1 0 329.396 3.729 20 0 EHADRM CCCCc1ccc(C(=O)N(C)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000653663411 975617534 /nfs/dbraw/zinc/61/75/34/975617534.db2.gz GNIJHLYEZNEVNQ-UHFFFAOYSA-N -1 0 341.407 3.769 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCCCc2c(Cl)cccc2Cl)C1 ZINC000655558992 975629648 /nfs/dbraw/zinc/62/96/48/975629648.db2.gz WAAHHDFJPNWDEL-WDEREUQCSA-N -1 0 344.238 3.543 20 0 EHADRM CC(C)CCc1ccc(NC(=O)N2CCC(CCC(=O)[O-])CC2)nc1 ZINC000656603773 975665595 /nfs/dbraw/zinc/66/55/95/975665595.db2.gz YUKWGLPGBPSMTL-UHFFFAOYSA-N -1 0 347.459 3.779 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(C(C)C)c2)cc1 ZINC000659117576 975713597 /nfs/dbraw/zinc/71/35/97/975713597.db2.gz HWUCIPXNUSPHFI-GOSISDBHSA-N -1 0 341.407 3.764 20 0 EHADRM CC(C)c1nc2cc(NC(=O)C3(C(=O)[O-])CC4(CCC4)C3)ccc2o1 ZINC000659118985 975716055 /nfs/dbraw/zinc/71/60/55/975716055.db2.gz MWWUWCNWFWEVTJ-UHFFFAOYSA-N -1 0 342.395 3.925 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC000659119545 975716066 /nfs/dbraw/zinc/71/60/66/975716066.db2.gz USOIZKGLGMWJTN-UHFFFAOYSA-N -1 0 341.860 3.785 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)c2cccc(C(C)C)c2)c1OC ZINC000659126456 975726017 /nfs/dbraw/zinc/72/60/17/975726017.db2.gz HUPRNXOONAJVLG-UHFFFAOYSA-N -1 0 343.379 3.778 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)C1CC2(C1)CCCCC2)c1ccccc1 ZINC000659129481 975729502 /nfs/dbraw/zinc/72/95/02/975729502.db2.gz RWXHEJPOMNZKGK-PBHICJAKSA-N -1 0 329.440 3.925 20 0 EHADRM Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1C ZINC000659141453 975741715 /nfs/dbraw/zinc/74/17/15/975741715.db2.gz AUPBFXHWSVXCIK-RYQLBKOJSA-N -1 0 329.440 3.510 20 0 EHADRM CCC1(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)CCC(F)(F)CC1 ZINC000659144752 975744236 /nfs/dbraw/zinc/74/42/36/975744236.db2.gz JZAZAPDPGZNGKX-CYBMUJFWSA-N -1 0 345.430 3.942 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)Cc2ccc(C3CCCCC3)cc2)C1 ZINC000659145153 975744276 /nfs/dbraw/zinc/74/42/76/975744276.db2.gz HQJZKOADWWOXRA-MSOLQXFVSA-N -1 0 329.440 3.646 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc2ccccc2c1 ZINC000659151045 975751704 /nfs/dbraw/zinc/75/17/04/975751704.db2.gz HYYNLIKYAUIHSZ-YSHGAJCASA-N -1 0 337.419 3.908 20 0 EHADRM CC(C)c1cccc(C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000659150717 975751755 /nfs/dbraw/zinc/75/17/55/975751755.db2.gz DASSMBUOUSSBLK-KRWDZBQOSA-N -1 0 329.371 3.547 20 0 EHADRM CC(C)Oc1c(NC(=O)/C=C/c2cccs2)cccc1C(=O)[O-] ZINC001591741723 975756997 /nfs/dbraw/zinc/75/69/97/975756997.db2.gz OLDVPJNKJNBKTP-CMDGGOBGSA-N -1 0 331.393 3.885 20 0 EHADRM CC(C)Oc1c(NC(=O)N2C[C@@H]3CCCC[C@@H]32)cccc1C(=O)[O-] ZINC001591744051 975765417 /nfs/dbraw/zinc/76/54/17/975765417.db2.gz IMGZIOPNPBCZDX-WFASDCNBSA-N -1 0 332.400 3.578 20 0 EHADRM Cc1cccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)c1Cl ZINC000659189624 975785584 /nfs/dbraw/zinc/78/55/84/975785584.db2.gz HKFRJSAGEDMHKY-IPYPFGDCSA-N -1 0 335.831 3.754 20 0 EHADRM CCCc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)cc1 ZINC000659192032 975789989 /nfs/dbraw/zinc/78/99/89/975789989.db2.gz FKEZRESJQMBNEF-BZSNNMDCSA-N -1 0 329.440 3.745 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000659192194 975790554 /nfs/dbraw/zinc/79/05/54/975790554.db2.gz MJXAONFVQISOHI-OFQRWUPVSA-N -1 0 335.831 3.754 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)[C@@H]2CCCC[C@H]12 ZINC000659195174 975796977 /nfs/dbraw/zinc/79/69/77/975796977.db2.gz WYMOPZHYIDOEKF-PNVOZDDCSA-N -1 0 333.472 3.695 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)C/C=C\c2cccc(F)c2)[C@@H]2CCCC[C@H]12 ZINC000659195686 975798198 /nfs/dbraw/zinc/79/81/98/975798198.db2.gz QYGNFKVYJMFYEZ-KWYZDCMGSA-N -1 0 345.414 3.721 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cccc(F)c2Cl)[C@H]2CCCC[C@H]12 ZINC000659196710 975801153 /nfs/dbraw/zinc/80/11/53/975801153.db2.gz XLHXJVYOMHPDRD-GYSYKLTISA-N -1 0 339.794 3.585 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CC/C=C\c2ccccc2)[C@@H]2CCCC[C@@H]12 ZINC000659196352 975801552 /nfs/dbraw/zinc/80/15/52/975801552.db2.gz TYQLGDJICWBDMT-DQKJXSELSA-N -1 0 341.451 3.972 20 0 EHADRM O=C([O-])C[C@@H](CNC(=O)Cc1ccc(-c2ccccc2)cc1)C1CC1 ZINC000659204261 975812535 /nfs/dbraw/zinc/81/25/35/975812535.db2.gz MMGRAHUHUYJIOB-IBGZPJMESA-N -1 0 337.419 3.513 20 0 EHADRM CC(C)Oc1cc(F)ccc1NC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C ZINC001591755325 975817328 /nfs/dbraw/zinc/81/73/28/975817328.db2.gz GJCANEUALQCMDL-AWEZNQCLSA-N -1 0 340.395 3.624 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC000659207321 975817407 /nfs/dbraw/zinc/81/74/07/975817407.db2.gz AYMORSGMHSODHW-RDJZCZTQSA-N -1 0 347.455 3.585 20 0 EHADRM CCC[C@@H](C(=O)NC[C@@H](CC(=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC000659209889 975820466 /nfs/dbraw/zinc/82/04/66/975820466.db2.gz PJIDHPNLQWHREI-GDBMZVCRSA-N -1 0 337.847 3.841 20 0 EHADRM CC(C)[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000659223043 975834689 /nfs/dbraw/zinc/83/46/89/975834689.db2.gz AMUBFTSOVVUPOX-QGZVFWFLSA-N -1 0 329.371 3.580 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N2CCC[C@H](C3CCCCC3)C2)c1 ZINC000659234334 975843078 /nfs/dbraw/zinc/84/30/78/975843078.db2.gz REBJNEBIAONKNC-SFHVURJKSA-N -1 0 329.440 3.746 20 0 EHADRM C[C@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)c1cc2ccccc2o1 ZINC000659393006 975844172 /nfs/dbraw/zinc/84/41/72/975844172.db2.gz OMPYATYSSPXHIV-ZDUSSCGKSA-N -1 0 344.411 3.780 20 0 EHADRM O=C([O-])C1CCC(NC(=O)N2CCC[C@H](C3CCCCC3)C2)CC1 ZINC000659405945 975847540 /nfs/dbraw/zinc/84/75/40/975847540.db2.gz IGUXLFSWWKYTBC-CGZBRXJRSA-N -1 0 336.476 3.632 20 0 EHADRM O=C([O-])C1CCC(NC(=O)N2CCC[C@@H](C3CCCCC3)C2)CC1 ZINC000659405943 975847667 /nfs/dbraw/zinc/84/76/67/975847667.db2.gz IGUXLFSWWKYTBC-AQFXKWCLSA-N -1 0 336.476 3.632 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1CCC(F)(F)C1 ZINC001591761203 975847718 /nfs/dbraw/zinc/84/77/18/975847718.db2.gz JAGCDIDFMIRZQM-NSHDSACASA-N -1 0 327.327 3.546 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)CCNc1ccccc1 ZINC001591763213 975865223 /nfs/dbraw/zinc/86/52/23/975865223.db2.gz JFOAGISXWDXHAY-UHFFFAOYSA-N -1 0 342.395 3.613 20 0 EHADRM CCN(Cc1ccoc1)[C@@H](C(=O)[O-])c1ccccc1Br ZINC000659786761 975873691 /nfs/dbraw/zinc/87/36/91/975873691.db2.gz BTUIJPIYNQFELC-CQSZACIVSA-N -1 0 338.201 3.690 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC[C@@H]1C[C@@]1(C)Br ZINC001591771965 975902626 /nfs/dbraw/zinc/90/26/26/975902626.db2.gz SKPNYNNCAWDCBG-XHDPSFHLSA-N -1 0 342.233 3.757 20 0 EHADRM CC(C)Oc1ccc(COC(=O)c2ccncc2C(=O)[O-])cc1Cl ZINC001591774981 975915152 /nfs/dbraw/zinc/91/51/52/975915152.db2.gz CRFUGFUGSXQGTK-UHFFFAOYSA-N -1 0 349.770 3.577 20 0 EHADRM CSc1cc(C)c(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)o1 ZINC000663026664 975919150 /nfs/dbraw/zinc/91/91/50/975919150.db2.gz QDZYGCUEKDJTAY-CQSZACIVSA-N -1 0 347.436 3.516 20 0 EHADRM CO[C@H]1CCC[C@H](CC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000668272579 975979569 /nfs/dbraw/zinc/97/95/69/975979569.db2.gz HTWQEXARNOXCOG-JQWIXIFHSA-N -1 0 325.792 3.572 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N[C@H](C2CCCCC2)C(F)(F)F)cc1 ZINC000668301153 975990893 /nfs/dbraw/zinc/99/08/93/975990893.db2.gz FFOCCSOYJIRJPI-OAHLLOKOSA-N -1 0 343.345 3.555 20 0 EHADRM Cc1ccc([C@@H]2CCN(C(=O)c3ccc(C(=O)[O-])s3)C2)c(C)c1 ZINC000668322208 975997743 /nfs/dbraw/zinc/99/77/43/975997743.db2.gz OZWSFTSFAIHHJV-CYBMUJFWSA-N -1 0 329.421 3.693 20 0 EHADRM C[C@H](CC(=O)N(CCC(=O)[O-])Cc1ccccc1)c1ccc(F)cc1 ZINC000675948068 976018817 /nfs/dbraw/zinc/01/88/17/976018817.db2.gz XHMSLOUPVJWDRD-OAHLLOKOSA-N -1 0 343.398 3.823 20 0 EHADRM CC[C@@H]1c2ccccc2CCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000679093595 976037636 /nfs/dbraw/zinc/03/76/36/976037636.db2.gz ZBACFXHUQJGUEL-LJQANCHMSA-N -1 0 337.419 3.853 20 0 EHADRM Cc1cc(F)cc2[nH]c(C(=O)N3CCC[C@H](C(C)(C)C(=O)[O-])C3)cc21 ZINC000679103093 976044320 /nfs/dbraw/zinc/04/43/20/976044320.db2.gz PCEVHAOFRHSSFH-LBPRGKRZSA-N -1 0 346.402 3.578 20 0 EHADRM CC(C)Sc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001591829616 976094372 /nfs/dbraw/zinc/09/43/72/976094372.db2.gz SXVGWJKPDZSIJW-AOOOYVTPSA-N -1 0 327.833 3.890 20 0 EHADRM CC(C)c1c(NCc2nc(C(=O)[O-])cs2)cnn1-c1ccccc1 ZINC001591923873 976403286 /nfs/dbraw/zinc/40/32/86/976403286.db2.gz VLDDMXIGJJCWDG-UHFFFAOYSA-N -1 0 342.424 3.763 20 0 EHADRM CC(C)c1cc(NC(=O)Nc2cc(C(=O)[O-])ccc2F)ccc1O ZINC001591936070 976456409 /nfs/dbraw/zinc/45/64/09/976456409.db2.gz OKPQNOSYIXIIFV-UHFFFAOYSA-N -1 0 332.331 3.997 20 0 EHADRM CC(C)c1ccc(C(=O)OCc2cccc(C(=O)[O-])n2)cc1Cl ZINC001591947641 976492294 /nfs/dbraw/zinc/49/22/94/976492294.db2.gz PKOXHIVQULVJRK-UHFFFAOYSA-N -1 0 333.771 3.914 20 0 EHADRM CC(C)c1ccc(C(C)(C)NC(=O)c2cc(C(=O)[O-])ccn2)cc1 ZINC001591947792 976495075 /nfs/dbraw/zinc/49/50/75/976495075.db2.gz WYDVASACYBEXBC-UHFFFAOYSA-N -1 0 326.396 3.568 20 0 EHADRM CC(C)c1ccc(C2(C(=O)Nc3cccc(C(=O)[O-])n3)CCC2)cc1 ZINC001591948144 976496698 /nfs/dbraw/zinc/49/66/98/976496698.db2.gz BXSWAJKNSMRRSG-UHFFFAOYSA-N -1 0 338.407 3.964 20 0 EHADRM CC(C)c1ccc([C@@H](NC(=O)c2ccc(C(=O)[O-])n2C)C(C)C)cc1 ZINC001591948550 976501114 /nfs/dbraw/zinc/50/11/14/976501114.db2.gz IYCACYFATZSUKF-SFHVURJKSA-N -1 0 342.439 3.974 20 0 EHADRM CC(C)c1ccc(NC(=O)C[C@@H]2CC[C@H](C3CC3)O2)c(C(=O)[O-])c1 ZINC001591963344 976553827 /nfs/dbraw/zinc/55/38/27/976553827.db2.gz ZTPAZNBOERXFTB-WMLDXEAASA-N -1 0 331.412 3.794 20 0 EHADRM CC(C)c1ccc(OCCC(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])cc1 ZINC001591973945 976582206 /nfs/dbraw/zinc/58/22/06/976582206.db2.gz LCIGLMAMZGYUBL-INIZCTEOSA-N -1 0 335.444 3.585 20 0 EHADRM CC(C)c1ccc2occ(C(=O)NCc3ccc(C(=O)[O-])nc3)c2c1 ZINC001591981118 976596040 /nfs/dbraw/zinc/59/60/40/976596040.db2.gz NVBKQINGDRDGIW-UHFFFAOYSA-N -1 0 338.363 3.579 20 0 EHADRM CC(C)c1ccc2cc(C(=O)NCc3ccccc3C(=O)[O-])[nH]c2c1 ZINC001591981094 976596390 /nfs/dbraw/zinc/59/63/90/976596390.db2.gz NBEXUPOPBRXQAE-UHFFFAOYSA-N -1 0 336.391 3.920 20 0 EHADRM CC(C)c1ccccc1OCC(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001591998593 976645403 /nfs/dbraw/zinc/64/54/03/976645403.db2.gz OZJHEEOLZFTRDW-UHFFFAOYSA-N -1 0 349.333 3.804 20 0 EHADRM CC(C)c1nc(C(=O)OCc2c3ccccc3sc2C(=O)[O-])c[nH]1 ZINC001592011834 976691404 /nfs/dbraw/zinc/69/14/04/976691404.db2.gz XJHQYEKIVYUJND-UHFFFAOYSA-N -1 0 344.392 3.803 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)N3CC[C@H](C(=O)[O-])[C@@H]3C)cc2s1 ZINC001592031485 976741175 /nfs/dbraw/zinc/74/11/75/976741175.db2.gz FZJYGVWSPBYPOE-JQWIXIFHSA-N -1 0 347.440 3.747 20 0 EHADRM CC(C)c1ncsc1NC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001592042340 976767983 /nfs/dbraw/zinc/76/79/83/976767983.db2.gz IODJRLTXBHNLIT-UHFFFAOYSA-N -1 0 345.424 3.555 20 0 EHADRM CC(C)c1noc(CSCCOc2ccc(/C=C/C(=O)[O-])cc2)n1 ZINC001592095036 976852913 /nfs/dbraw/zinc/85/29/13/976852913.db2.gz CKEPUEOBIYWCIE-VMPITWQZSA-N -1 0 348.424 3.603 20 0 EHADRM CC(C)c1sc(NC(=O)c2ccc(F)c(F)c2F)nc1C(=O)[O-] ZINC001592115171 976912455 /nfs/dbraw/zinc/91/24/55/976912455.db2.gz SMWDCYSHECUURZ-UHFFFAOYSA-N -1 0 344.314 3.634 20 0 EHADRM CC(C)n1nc(-c2ccco2)cc1NC(=O)c1cccc(C(=O)[O-])c1 ZINC001592149348 977016994 /nfs/dbraw/zinc/01/69/94/977016994.db2.gz GHJQYHWBTORFFC-UHFFFAOYSA-N -1 0 339.351 3.675 20 0 EHADRM CC(C)n1ncc2cc(NC(=O)NC3(CC(=O)[O-])CCCC3)ccc21 ZINC001592162642 977041851 /nfs/dbraw/zinc/04/18/51/977041851.db2.gz DBLVYGOOQRZECM-UHFFFAOYSA-N -1 0 344.415 3.526 20 0 EHADRM CC(C)c1ccc(C2(C(=O)N[C@H](C)/C=C/C(=O)[O-])CCCC2)cc1 ZINC001592192063 977139769 /nfs/dbraw/zinc/13/97/69/977139769.db2.gz DJVWAWXYMGTTPK-KDHUCADRSA-N -1 0 329.440 3.767 20 0 EHADRM C[C@@H](CC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)c1ccco1 ZINC001592261633 977503012 /nfs/dbraw/zinc/50/30/12/977503012.db2.gz FRMHNXMKCKTNCJ-ZDUSSCGKSA-N -1 0 342.395 3.710 20 0 EHADRM C[C@H](CC(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-])c1ccco1 ZINC001592261744 977504008 /nfs/dbraw/zinc/50/40/08/977504008.db2.gz HDIOKHDCIYZKFF-MRVPVSSYSA-N -1 0 325.723 3.903 20 0 EHADRM C[C@@H](CC(=O)Nc1cccc(CC(=O)[O-])c1)c1c[nH]c2ccccc21 ZINC001592274962 977551585 /nfs/dbraw/zinc/55/15/85/977551585.db2.gz WOSYIGXALDIFDF-ZDUSSCGKSA-N -1 0 336.391 3.927 20 0 EHADRM O=C(N[C@@H](c1ccc(F)cc1)C(F)(F)F)c1c([O-])cc(F)cc1F ZINC000683123119 1014406266 /nfs/dbraw/zinc/40/62/66/1014406266.db2.gz IFIOLBJDWBODLT-ZDUSSCGKSA-N -1 0 349.230 3.843 20 0 EHADRM O=C([O-])c1ccc(CN2Cc3cccc(Br)c3C2)cc1 ZINC000713192926 977631315 /nfs/dbraw/zinc/63/13/15/977631315.db2.gz GHZQKWLHOSXOKF-UHFFFAOYSA-N -1 0 332.197 3.663 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)Nc1cccc(OC2CCCC2)c1)C1CC1 ZINC001592297452 977636697 /nfs/dbraw/zinc/63/66/97/977636697.db2.gz MIGDAAWEHKCVML-LJQANCHMSA-N -1 0 346.427 3.773 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)c1cc2occc2s1)c1cccc(F)c1 ZINC001592304819 977667854 /nfs/dbraw/zinc/66/78/54/977667854.db2.gz QGAYMZHURXWGFW-QGZVFWFLSA-N -1 0 347.367 3.753 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC001592394203 977943298 /nfs/dbraw/zinc/94/32/98/977943298.db2.gz ABMZXKOCYXVYFE-GFCCVEGCSA-N -1 0 337.379 3.669 20 0 EHADRM C[C@H](CC(=O)[O-])SC[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001592421857 978033650 /nfs/dbraw/zinc/03/36/50/978033650.db2.gz ADWYBBKUNPWXCI-OLUVUFQESA-N -1 0 334.359 3.765 20 0 EHADRM C[C@@H](CCC(=O)OCc1ccccc1CC(=O)[O-])c1ccccc1 ZINC001592470195 978218861 /nfs/dbraw/zinc/21/88/61/978218861.db2.gz HTVKFEIQLZGWJV-HNNXBMFYSA-N -1 0 326.392 3.941 20 0 EHADRM CC(C)[C@H](OC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000736389494 978328308 /nfs/dbraw/zinc/32/83/08/978328308.db2.gz IWPAZPCTVVVUPF-WZRBSPASSA-N -1 0 331.195 3.749 20 0 EHADRM C[C@@H](CCNC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)CC(C)(C)C ZINC001592522221 978379943 /nfs/dbraw/zinc/37/99/43/978379943.db2.gz XYMPIJRYNPJWMK-NSHDSACASA-N -1 0 346.431 3.845 20 0 EHADRM C[C@H](CCOc1ccccc1)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001592538702 978415087 /nfs/dbraw/zinc/41/50/87/978415087.db2.gz WESVSMVEDJNYJW-LLVKDONJSA-N -1 0 349.333 3.707 20 0 EHADRM C[C@H](CCc1ccc(F)cc1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001592540025 978421644 /nfs/dbraw/zinc/42/16/44/978421644.db2.gz OQORJEVYZKPWHB-LLVKDONJSA-N -1 0 333.334 3.870 20 0 EHADRM C[C@H](CN(C)C(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)[O-] ZINC001592574007 978467859 /nfs/dbraw/zinc/46/78/59/978467859.db2.gz ANVTWHPSXPAIGW-GFCCVEGCSA-N -1 0 349.471 3.780 20 0 EHADRM C[C@@H](CN(C)C(=O)NCc1ccccc1CC(=O)[O-])C1CCCCC1 ZINC001592574729 978473894 /nfs/dbraw/zinc/47/38/94/978473894.db2.gz OUVYPHZFWMRSSY-HNNXBMFYSA-N -1 0 346.471 3.672 20 0 EHADRM CSCc1cccc(-c2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)c1 ZINC000738146354 978486975 /nfs/dbraw/zinc/48/69/75/978486975.db2.gz KIRMYLLRXDBHKF-UHFFFAOYSA-N -1 0 346.433 3.521 20 0 EHADRM Cc1nn(C(C)(C)C)cc1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000274665693 1014502206 /nfs/dbraw/zinc/50/22/06/1014502206.db2.gz HCQNGESSAXVLND-UHFFFAOYSA-N -1 0 325.771 3.697 20 0 EHADRM Nc1c(Cl)cc(F)cc1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC001625783403 1014502648 /nfs/dbraw/zinc/50/26/48/1014502648.db2.gz SJUNPPBJBGVQRA-UHFFFAOYSA-N -1 0 333.121 3.812 20 0 EHADRM C=CC(=O)Nc1ccc(C(=O)Nc2cc(F)cc(Cl)c2[O-])cc1 ZINC001625783263 1014503382 /nfs/dbraw/zinc/50/33/82/1014503382.db2.gz PNNAGDBKDLRBAB-UHFFFAOYSA-N -1 0 334.734 3.562 20 0 EHADRM CC(C)c1ccc(O[C@H](C)CNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC001592648068 978630182 /nfs/dbraw/zinc/63/01/82/978630182.db2.gz XJDQUMZJAXKNRR-DJIMGWMZSA-N -1 0 347.455 3.585 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H](c2cccs2)C2CC2)c(F)c1 ZINC000739466329 978641789 /nfs/dbraw/zinc/64/17/89/978641789.db2.gz BVAXPLGHZSBRDW-AWEZNQCLSA-N -1 0 334.372 3.858 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)NCc2ccc3ccccc3c2)cc1 ZINC000739991645 978661854 /nfs/dbraw/zinc/66/18/54/978661854.db2.gz LANOCGIUUJVMHP-UHFFFAOYSA-N -1 0 349.390 3.929 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)C(F)(F)c1cccc(Cl)c1 ZINC000740065835 978665438 /nfs/dbraw/zinc/66/54/38/978665438.db2.gz FJJFZCIIBZXDGC-UHFFFAOYSA-N -1 0 343.688 3.908 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1 ZINC000751518396 978692547 /nfs/dbraw/zinc/69/25/47/978692547.db2.gz WDHGWZSJNUXJED-ZKQHCESOSA-N -1 0 343.345 3.820 20 0 EHADRM CC(C)[C@@H](NC(=O)CCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000753977086 978696041 /nfs/dbraw/zinc/69/60/41/978696041.db2.gz RTFKEHRRBYTLOI-OAHLLOKOSA-N -1 0 331.334 3.774 20 0 EHADRM Cc1nc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c(-c2ccccc2)o1 ZINC000761662279 978714156 /nfs/dbraw/zinc/71/41/56/978714156.db2.gz HHYZMHIYGDRAST-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM O=C([O-])C1(CNC(=O)c2sccc2SC(F)F)CCCCC1 ZINC000762214455 978718263 /nfs/dbraw/zinc/71/82/63/978718263.db2.gz MYOVMFPQVFSNCD-UHFFFAOYSA-N -1 0 349.424 3.828 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000766844333 978726653 /nfs/dbraw/zinc/72/66/53/978726653.db2.gz COBLZVPLEPZNGL-CVEARBPZSA-N -1 0 341.794 3.731 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C(F)(F)c1ccccc1 ZINC000766940819 978730129 /nfs/dbraw/zinc/73/01/29/978730129.db2.gz GIDKOODAFYFXRN-UHFFFAOYSA-N -1 0 349.333 3.903 20 0 EHADRM CCC(CC)(CNC(=O)c1sccc1SC(F)F)C(=O)[O-] ZINC000776682044 978769586 /nfs/dbraw/zinc/76/95/86/978769586.db2.gz VKCYULZVBYGBIQ-UHFFFAOYSA-N -1 0 337.413 3.684 20 0 EHADRM COCc1cc(NC(=O)/C=C(/C)c2cccc(F)c2)cc(C(=O)[O-])c1 ZINC000794002549 978811203 /nfs/dbraw/zinc/81/12/03/978811203.db2.gz NPWKWHYLIQBFGJ-SDQBBNPISA-N -1 0 343.354 3.712 20 0 EHADRM CC(C)(CNC(=O)c1cc(C(=O)[O-])ccc1Cl)CC(F)(F)F ZINC000826534595 978946033 /nfs/dbraw/zinc/94/60/33/978946033.db2.gz HTCJPCPFLHGENI-UHFFFAOYSA-N -1 0 337.725 3.747 20 0 EHADRM C[C@H](c1ccccc1)[C@H](C)NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000827653901 978962788 /nfs/dbraw/zinc/96/27/88/978962788.db2.gz TZBZFQGMSTVBKH-KBPBESRZSA-N -1 0 338.407 3.602 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000828095292 978969209 /nfs/dbraw/zinc/96/92/09/978969209.db2.gz MNSXCSOWZLOOTL-ZDUSSCGKSA-N -1 0 337.725 3.732 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=S)Nc1c(C)cc(C)cc1Cl ZINC000828653479 978986669 /nfs/dbraw/zinc/98/66/69/978986669.db2.gz ZWWMXOLLBOOMGV-OAHLLOKOSA-N -1 0 328.865 3.887 20 0 EHADRM CCc1ccc(CC(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000830245204 979015332 /nfs/dbraw/zinc/01/53/32/979015332.db2.gz SJUHFBCMFQPHKW-KRWDZBQOSA-N -1 0 332.783 3.814 20 0 EHADRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)CC1CCC1 ZINC000832848305 979050135 /nfs/dbraw/zinc/05/01/35/979050135.db2.gz ZMRRZJDLLXFYMT-UHFFFAOYSA-N -1 0 326.190 3.584 20 0 EHADRM CC[C@@H](C)n1c(SCC2(C(=O)[O-])CC2)nnc1-c1ccccc1 ZINC001595022537 979107641 /nfs/dbraw/zinc/10/76/41/979107641.db2.gz MHDJUBNWKJSPMA-GFCCVEGCSA-N -1 0 331.441 3.873 20 0 EHADRM CC[C@@H](C)n1nc(C(=O)Nc2c(C)sc(C)c2C(=O)[O-])cc1C ZINC001595023795 979119596 /nfs/dbraw/zinc/11/95/96/979119596.db2.gz VKQFVOXHZFLPTR-MRVPVSSYSA-N -1 0 335.429 3.791 20 0 EHADRM C[C@H](CNC(=O)c1ccsc1C(=O)[O-])c1nc2ccccc2s1 ZINC001592701955 979163338 /nfs/dbraw/zinc/16/33/38/979163338.db2.gz UMZRCJNOSKFPCU-SECBINFHSA-N -1 0 346.433 3.590 20 0 EHADRM CC[C@@H](CC(C)C)C(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001595036299 979192649 /nfs/dbraw/zinc/19/26/49/979192649.db2.gz RHXGPEJZJJFUEJ-XJKSGUPXSA-N -1 0 331.412 3.617 20 0 EHADRM CC[C@@H](CC(F)(F)F)C(=O)N[C@@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC001595038713 979208540 /nfs/dbraw/zinc/20/85/40/979208540.db2.gz IFNCTCCJGIIDFE-WCQYABFASA-N -1 0 331.334 3.524 20 0 EHADRM CC[C@@H](CC(F)(F)F)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC001595039659 979216224 /nfs/dbraw/zinc/21/62/24/979216224.db2.gz UKJCRTXBGQZKRJ-LURJTMIESA-N -1 0 336.335 3.636 20 0 EHADRM CCC(CC)(C(=O)Nc1ccc(C)c(C(=O)[O-])c1)C(=O)OC(C)(C)C ZINC001595040981 979220263 /nfs/dbraw/zinc/22/02/63/979220263.db2.gz ARJACVZMIZSHDZ-UHFFFAOYSA-N -1 0 349.427 3.780 20 0 EHADRM CC[C@H](CC(F)F)C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001595042415 979234563 /nfs/dbraw/zinc/23/45/63/979234563.db2.gz LLTKKAZFNMFUDW-BDJLRTHQSA-N -1 0 335.350 3.763 20 0 EHADRM C[C@H](CNc1ncc(C(=O)[O-])cc1Cl)c1ccc(F)cc1F ZINC001592728157 979235360 /nfs/dbraw/zinc/23/53/60/979235360.db2.gz AZTCFYHBHZSCJA-MRVPVSSYSA-N -1 0 326.730 3.927 20 0 EHADRM CC[C@@H](CC(F)(F)F)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001595042751 979238964 /nfs/dbraw/zinc/23/89/64/979238964.db2.gz TUEMFYQCTGSFDY-QMMMGPOBSA-N -1 0 336.285 3.685 20 0 EHADRM C[C@@](CNc1cc(C2CC2)nc(C2CC2)n1)(C(=O)[O-])c1ccccc1 ZINC001592728880 979239015 /nfs/dbraw/zinc/23/90/15/979239015.db2.gz HGDUTGASNHQZQD-FQEVSTJZSA-N -1 0 337.423 3.686 20 0 EHADRM O=C([O-])c1occc1CNc1ccc(OC(F)F)c2ncccc12 ZINC000833785416 979241491 /nfs/dbraw/zinc/24/14/91/979241491.db2.gz UPWVNUGMYVSQPM-UHFFFAOYSA-N -1 0 334.278 3.740 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1ccc(C(=O)C(C)C)cc1 ZINC001595049781 979275664 /nfs/dbraw/zinc/27/56/64/979275664.db2.gz DQDQJOKJRWEOOE-UHFFFAOYSA-N -1 0 334.416 3.680 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cc2cccc(C)c2nc1Cl ZINC001595053789 979289742 /nfs/dbraw/zinc/28/97/42/979289742.db2.gz ZFJBQIYKFAGZMK-UHFFFAOYSA-N -1 0 348.830 3.960 20 0 EHADRM CCC(CC)(CCOC(=O)c1ccc2c(C)cc(=O)[nH]c2c1)C(=O)[O-] ZINC001595059667 979309400 /nfs/dbraw/zinc/30/94/00/979309400.db2.gz KHAFCJQGKRKYKA-UHFFFAOYSA-N -1 0 345.395 3.687 20 0 EHADRM CCC(CC)(CNC(=O)NCc1cc(C(=O)[O-])co1)c1ccccc1 ZINC001595070426 979339464 /nfs/dbraw/zinc/33/94/64/979339464.db2.gz UXKCHRPMDOHXKD-UHFFFAOYSA-N -1 0 344.411 3.535 20 0 EHADRM C[C@@](COC(=O)/C=C/c1ccc2[nH]ccc2c1)(C(=O)[O-])c1ccccc1 ZINC001592762683 979358722 /nfs/dbraw/zinc/35/87/22/979358722.db2.gz ACILEBMTXABNJM-DJGBTNNQSA-N -1 0 349.386 3.767 20 0 EHADRM CCC(CC)[C@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC001595106216 979429539 /nfs/dbraw/zinc/42/95/39/979429539.db2.gz YTDLGXYEOMVCNI-BONVTDFDSA-N -1 0 341.835 3.663 20 0 EHADRM CCC(CC)N(CC(C)C)C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001595114604 979466508 /nfs/dbraw/zinc/46/65/08/979466508.db2.gz RMSQDAKXNMVFRQ-UHFFFAOYSA-N -1 0 326.462 3.803 20 0 EHADRM CCC(CC)N(C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)C1CC1 ZINC001595115662 979471154 /nfs/dbraw/zinc/47/11/54/979471154.db2.gz HSPAAXTVMZYNMT-UHFFFAOYSA-N -1 0 326.343 3.848 20 0 EHADRM CC[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851592896 979501912 /nfs/dbraw/zinc/50/19/12/979501912.db2.gz HFQWTFPGOZVUDG-IEZBTEQYSA-N -1 0 327.380 3.818 20 0 EHADRM Nc1c(Cl)cc(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)cc1Cl ZINC000851595369 979508341 /nfs/dbraw/zinc/50/83/41/979508341.db2.gz HDNJKCOGLKEFPZ-UHFFFAOYSA-N -1 0 343.210 3.549 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)N1C[C@@H](C(=O)[O-])Cc2ccccc21 ZINC001595125630 979508571 /nfs/dbraw/zinc/50/85/71/979508571.db2.gz DEKVZHCSXOHLFZ-WBVHZDCISA-N -1 0 329.440 3.883 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1 ZINC001595125702 979509365 /nfs/dbraw/zinc/50/93/65/979509365.db2.gz GPARKSAPKXUPBD-GFCCVEGCSA-N -1 0 329.400 3.806 20 0 EHADRM O=C([O-])CCCCCCNC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000851598506 979515597 /nfs/dbraw/zinc/51/55/97/979515597.db2.gz WSABVBYLFRAVKZ-MSOLQXFVSA-N -1 0 331.456 3.797 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)NC2CCC(c3ccccc3)CC2)o1 ZINC000851600598 979519632 /nfs/dbraw/zinc/51/96/32/979519632.db2.gz FYDBXWLQAHVIQW-QBFSEMIESA-N -1 0 339.391 3.834 20 0 EHADRM CCCC[C@](C)(F)C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000851600662 979519814 /nfs/dbraw/zinc/51/98/14/979519814.db2.gz MPVIILFZAURBNP-KRWDZBQOSA-N -1 0 325.380 3.787 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)c1ccc(/C=C\C(=O)[O-])o1)CC2 ZINC000851605872 979529910 /nfs/dbraw/zinc/52/99/10/979529910.db2.gz NTIRUGJRFBMFJA-CGQZWFTASA-N -1 0 339.391 3.918 20 0 EHADRM CC[C@@](CNC(=O)c1ccccc1C(C)C)(C(=O)[O-])c1ccccc1 ZINC000851607053 979532679 /nfs/dbraw/zinc/53/26/79/979532679.db2.gz VCVHRNDNFGFXES-NRFANRHFSA-N -1 0 339.435 3.972 20 0 EHADRM C[C@@H](CSCc1ccccc1)C(=O)N[C@H](CC(=O)[O-])C1CCCC1 ZINC001592825657 979544857 /nfs/dbraw/zinc/54/48/57/979544857.db2.gz KWVZLVRHQNVKQK-WMLDXEAASA-N -1 0 349.496 3.706 20 0 EHADRM CC(C)c1ccc(C[C@H](C)NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC001592834846 979580418 /nfs/dbraw/zinc/58/04/18/979580418.db2.gz YLCNAWJHKULACR-JCGIZDLHSA-N -1 0 331.456 3.748 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]2c2ccccc2)c2ccccc21 ZINC000852953135 979588008 /nfs/dbraw/zinc/58/80/08/979588008.db2.gz DQJURVJKDVXFLZ-OBZTUIKSSA-N -1 0 349.430 4.000 20 0 EHADRM C[C@](Cc1ccc(F)cc1)(NC(=O)[C@H]1CCCCC1(C)C)C(=O)[O-] ZINC001592845481 979614131 /nfs/dbraw/zinc/61/41/31/979614131.db2.gz BTJQHKRTUIBCCC-DNVCBOLYSA-N -1 0 335.419 3.544 20 0 EHADRM CC(C)(CCN1CCO[C@H](c2ccccc2C(F)(F)F)C1)C(=O)[O-] ZINC000859792682 979632436 /nfs/dbraw/zinc/63/24/36/979632436.db2.gz GDAXETMSJBZHHQ-AWEZNQCLSA-N -1 0 345.361 3.580 20 0 EHADRM C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1CCC(C)(C)C(=O)[O-] ZINC000859797229 979633712 /nfs/dbraw/zinc/63/37/12/979633712.db2.gz SCZFWXGSQANVQN-DOMZBBRYSA-N -1 0 325.836 3.603 20 0 EHADRM C[C@@H]1CCCCN1C(=O)c1ccc(NCc2ccoc2C(=O)[O-])cc1 ZINC000859799599 979634620 /nfs/dbraw/zinc/63/46/20/979634620.db2.gz QBMRXXJTPPLRCH-CYBMUJFWSA-N -1 0 342.395 3.605 20 0 EHADRM CC[C@H](CNC(=O)Nc1ccc(-c2ccccc2)c(C)c1)C(=O)[O-] ZINC001595152185 979646043 /nfs/dbraw/zinc/64/60/43/979646043.db2.gz GGAUCQJVBJXJDW-CQSZACIVSA-N -1 0 326.396 3.894 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-] ZINC001592855034 979659266 /nfs/dbraw/zinc/65/92/66/979659266.db2.gz ZHHNZVOOPJXMFD-GJZGRUSLSA-N -1 0 343.398 3.506 20 0 EHADRM CC[C@@](CNC(=O)Nc1cccc(F)c1C)(C(=O)[O-])c1ccccc1 ZINC001595154632 979660623 /nfs/dbraw/zinc/66/06/23/979660623.db2.gz NLHZSVPDZYDNGE-IBGZPJMESA-N -1 0 344.386 3.688 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)Cc2cccc3ncccc23)cc1)C(=O)[O-] ZINC001592859618 979683612 /nfs/dbraw/zinc/68/36/12/979683612.db2.gz VXGDNPOSTGWOOL-CQSZACIVSA-N -1 0 348.402 3.679 20 0 EHADRM Cc1ccc(CN(C(=O)/C=C\c2cc(C(=O)[O-])co2)C(C)C)s1 ZINC000864106788 979694033 /nfs/dbraw/zinc/69/40/33/979694033.db2.gz SOLGFWMBELZOOO-ALCCZGGFSA-N -1 0 333.409 3.798 20 0 EHADRM CC[C@@](CNC(=O)c1cccc(Cl)c1C)(C(=O)[O-])c1ccccc1 ZINC001595164256 979706670 /nfs/dbraw/zinc/70/66/70/979706670.db2.gz QFAAQCQKDSLHAX-IBGZPJMESA-N -1 0 345.826 3.811 20 0 EHADRM COc1ccccc1-c1ccc(C(=O)NCCCCCC(=O)[O-])s1 ZINC000864119374 979713881 /nfs/dbraw/zinc/71/38/81/979713881.db2.gz BCHAALMWUCAFLF-UHFFFAOYSA-N -1 0 347.436 3.799 20 0 EHADRM O=C([O-])CCCCCCNC(=O)/C=C/c1ccccc1C(F)(F)F ZINC000864120468 979716201 /nfs/dbraw/zinc/71/62/01/979716201.db2.gz JTFKHWTZTPJALU-ZHACJKMWSA-N -1 0 343.345 3.870 20 0 EHADRM CC(C)C[C@H](CNC(=O)/C=C/c1ccsc1C(F)(F)F)C(=O)[O-] ZINC000864122582 979720298 /nfs/dbraw/zinc/72/02/98/979720298.db2.gz SWUNHWRUEJTMEV-PGLGOXFNSA-N -1 0 349.374 3.643 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)/C=C\c1ccsc1C(F)(F)F ZINC000864126921 979726861 /nfs/dbraw/zinc/72/68/61/979726861.db2.gz NPDGVVYZFZFJRP-WAYWQWQTSA-N -1 0 349.374 3.930 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)NCc2ccccc2Cl)cc1)C(=O)[O-] ZINC001592872489 979729378 /nfs/dbraw/zinc/72/93/78/979729378.db2.gz MKZBTAVOOBDJIQ-LBPRGKRZSA-N -1 0 346.814 3.925 20 0 EHADRM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000864146900 979751865 /nfs/dbraw/zinc/75/18/65/979751865.db2.gz CGSMRMDIQHAPDZ-POFOFAOWSA-N -1 0 337.419 3.764 20 0 EHADRM C[C@@](Cc1ccccc1)(NC(=O)/C=C/c1cc(C(=O)[O-])co1)C1CC1 ZINC000864153714 979764199 /nfs/dbraw/zinc/76/41/99/979764199.db2.gz HAXFOAJONJVSBA-XTXLJPNXSA-N -1 0 339.391 3.519 20 0 EHADRM CC[C@@](CNc1nc2cccc(F)c2o1)(C(=O)[O-])c1ccccc1 ZINC001595176568 979768644 /nfs/dbraw/zinc/76/86/44/979768644.db2.gz VWQGTHQPHOXHCQ-SFHVURJKSA-N -1 0 328.343 3.811 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC001592885276 979769369 /nfs/dbraw/zinc/76/93/69/979769369.db2.gz MDUGKPNAFGCMNC-SNVBAGLBSA-N -1 0 335.762 3.995 20 0 EHADRM C[C@H](Cc1ccco1)C(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001592900319 979819496 /nfs/dbraw/zinc/81/94/96/979819496.db2.gz SDHSYGYRQQIVOG-SJKOYZFVSA-N -1 0 328.364 3.777 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)C2([C@H]3CCCCO3)CCC2)cc1 ZINC000864189991 979841049 /nfs/dbraw/zinc/84/10/49/979841049.db2.gz TVGYNOQHCCXTLL-GVDBMIGSSA-N -1 0 343.423 3.553 20 0 EHADRM C[C@@H](CC(=O)N[C@@](C)(Cc1ccc(Cl)cc1)C(=O)[O-])c1ccco1 ZINC000864195947 979858255 /nfs/dbraw/zinc/85/82/55/979858255.db2.gz ICPIOCSBUAOPLD-SGTLLEGYSA-N -1 0 349.814 3.629 20 0 EHADRM C[C@@H](Cc1noc(C23CCC(C(=O)[O-])(CC2)C3)n1)c1ccccc1 ZINC001592912288 979877632 /nfs/dbraw/zinc/87/76/32/979877632.db2.gz HEDLYZIYRIGDPI-MDAWKPQNSA-N -1 0 326.396 3.702 20 0 EHADRM CCC[C@@H](C(=O)N[C@@](C)(CC(=O)[O-])C1CC1)c1cccc(Cl)c1 ZINC000864201143 979877720 /nfs/dbraw/zinc/87/77/20/979877720.db2.gz NUCUHRPOPFGFOK-QAPCUYQASA-N -1 0 337.847 3.983 20 0 EHADRM C[C@H](Cn1ccc2ccccc21)C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC001592918575 979907019 /nfs/dbraw/zinc/90/70/19/979907019.db2.gz NGOGNLCSOMEFQT-CQSZACIVSA-N -1 0 337.375 3.510 20 0 EHADRM C[C@@H](CC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)[C@H]1CCCO1 ZINC000864225367 979909977 /nfs/dbraw/zinc/90/99/77/979909977.db2.gz RORLPJIUSIKTPH-YVEFUNNKSA-N -1 0 327.380 3.682 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)C[C@H](C)c2ccccc2)c1 ZINC000864227872 979917650 /nfs/dbraw/zinc/91/76/50/979917650.db2.gz HGHOOCUDSBQPRY-YJBOKZPZSA-N -1 0 325.408 3.821 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)C[C@H](C)c2ccccc2)c1 ZINC000864227870 979917779 /nfs/dbraw/zinc/91/77/79/979917779.db2.gz HGHOOCUDSBQPRY-MAUKXSAKSA-N -1 0 325.408 3.821 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)C[C@@H](C)c2ccc(F)cc2)c1 ZINC000864229511 979924416 /nfs/dbraw/zinc/92/44/16/979924416.db2.gz LXOOPSGBQLUCMJ-RDTXWAMCSA-N -1 0 343.398 3.960 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1 ZINC000864229814 979926291 /nfs/dbraw/zinc/92/62/91/979926291.db2.gz MRKBMGINCVLGNF-PMPSAXMXSA-N -1 0 343.448 3.801 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)CCc2cc(F)ccc2F)c1 ZINC000864230471 979928873 /nfs/dbraw/zinc/92/88/73/979928873.db2.gz YAXCPANBHDKSBV-KRWDZBQOSA-N -1 0 347.361 3.538 20 0 EHADRM O=C([O-])C1CCC(NC(=O)Nc2ccc(F)c(C(F)F)c2)CC1 ZINC000864607306 979949076 /nfs/dbraw/zinc/94/90/76/979949076.db2.gz NPCHTHRYYVNSLY-UHFFFAOYSA-N -1 0 330.306 3.528 20 0 EHADRM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001595204242 979975560 /nfs/dbraw/zinc/97/55/60/979975560.db2.gz CRFIIFJHNZPHOZ-LZNQSLFOSA-N -1 0 347.798 3.782 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC001595210331 979983480 /nfs/dbraw/zinc/98/34/80/979983480.db2.gz CUHZPXMZYABPMZ-ZBFHGGJFSA-N -1 0 331.437 3.567 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001595210402 979984254 /nfs/dbraw/zinc/98/42/54/979984254.db2.gz FPWZXQZKXRDPGP-HNNXBMFYSA-N -1 0 343.398 3.717 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1 ZINC001595210681 979984919 /nfs/dbraw/zinc/98/49/19/979984919.db2.gz IWGJBTBKPNIJKS-LBPRGKRZSA-N -1 0 344.436 3.926 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001595211891 979995944 /nfs/dbraw/zinc/99/59/44/979995944.db2.gz WLFSGRKBKGLRBI-GFCCVEGCSA-N -1 0 333.334 3.870 20 0 EHADRM CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001595213786 980009750 /nfs/dbraw/zinc/00/97/50/980009750.db2.gz XYPNZRMKQQAPEK-ZDUSSCGKSA-N -1 0 347.802 3.576 20 0 EHADRM CC(C)[C@H](C(=O)[O-])[S@@](=O)Cc1csc(C2CCCCC2)n1 ZINC000579805245 1014622375 /nfs/dbraw/zinc/62/23/75/1014622375.db2.gz VVSSFHRYNROWBT-ASSNKEHSSA-N -1 0 329.487 3.549 20 0 EHADRM CCC(F)(F)C(C)(C)CNC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001595221763 980054601 /nfs/dbraw/zinc/05/46/01/980054601.db2.gz RFESACVDTJGFLD-UHFFFAOYSA-N -1 0 328.359 3.886 20 0 EHADRM CCC(CC)[C@@H](NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)c1ccccc1 ZINC000872703585 980082305 /nfs/dbraw/zinc/08/23/05/980082305.db2.gz YOIQCRXVLNCTBS-YQVWRLOYSA-N -1 0 347.455 3.550 20 0 EHADRM CC[C@](NC(=O)C1=CC[C@H](C)CC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595237124 980142042 /nfs/dbraw/zinc/14/20/42/980142042.db2.gz YICFTJCJOGMRAX-KPZWWZAWSA-N -1 0 335.831 3.893 20 0 EHADRM N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC000321410349 1014635627 /nfs/dbraw/zinc/63/56/27/1014635627.db2.gz BHVXKWKPCXUSLM-LLVKDONJSA-N -1 0 326.318 3.658 20 0 EHADRM C[C@@H](NC(=O)/C(F)=C\C1CCCCC1)c1ccc(OCC(=O)[O-])cc1 ZINC001592994489 980204599 /nfs/dbraw/zinc/20/45/99/980204599.db2.gz ZTRMHFSGGDXGBW-VVBXCHJUSA-N -1 0 349.402 3.761 20 0 EHADRM C[C@H](NC(=O)/C=C\C1CCCCCC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593008401 980231384 /nfs/dbraw/zinc/23/13/84/980231384.db2.gz GKDWHNLABVZUHL-JTHLKEEUSA-N -1 0 343.467 3.961 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)C1(Cc2ccc(Cl)cc2)CC1 ZINC001595255449 980235883 /nfs/dbraw/zinc/23/58/83/980235883.db2.gz WKYAOFFTFVQRAX-UHFFFAOYSA-N -1 0 343.810 3.677 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1C)c1c(C)noc1C ZINC001595256605 980237952 /nfs/dbraw/zinc/23/79/52/980237952.db2.gz DGPUZUYFHKFQTN-CYBMUJFWSA-N -1 0 331.372 3.571 20 0 EHADRM CCN(Cc1ccc(C(=O)[O-])cc1C(F)(F)F)CC(F)(F)F ZINC000901422839 980267721 /nfs/dbraw/zinc/26/77/21/980267721.db2.gz WGQXWMNYCNQWDP-UHFFFAOYSA-N -1 0 329.240 3.788 20 0 EHADRM O=C([O-])/C=C\c1ccc(CN[C@H]2CCCOc3c(F)cccc32)o1 ZINC000901440181 980289427 /nfs/dbraw/zinc/28/94/27/980289427.db2.gz ZXHZCIFDODSECQ-QWGSZXSUSA-N -1 0 331.343 3.520 20 0 EHADRM CCc1oc(CN2CCO[C@H](c3cccc(Cl)c3)C2)cc1C(=O)[O-] ZINC000901452331 980293889 /nfs/dbraw/zinc/29/38/89/980293889.db2.gz WVZSRRKUIHAXOS-KRWDZBQOSA-N -1 0 349.814 3.767 20 0 EHADRM CC[C@](NC(=O)c1scc(C)c1Cl)(C(=O)[O-])c1ccccc1 ZINC001595277242 980305452 /nfs/dbraw/zinc/30/54/52/980305452.db2.gz SCRRKXFFFJAENV-MRXNPFEDSA-N -1 0 337.828 3.830 20 0 EHADRM O=C([O-])[C@@]1(F)CCN(Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000901514299 980331577 /nfs/dbraw/zinc/33/15/77/980331577.db2.gz FMDXKDSAPOJHIU-QGZVFWFLSA-N -1 0 346.383 3.555 20 0 EHADRM CC(C)Sc1cccc(Cl)c1CN1CC[C@@](F)(C(=O)[O-])C1 ZINC000901520925 980338868 /nfs/dbraw/zinc/33/88/68/980338868.db2.gz ZXSMCQPJWYEOJF-HNNXBMFYSA-N -1 0 331.840 3.839 20 0 EHADRM COc1ccc([C@H](N[C@@H](CCc2ccccc2)C(F)F)C(=O)[O-])cc1 ZINC000901642933 980422129 /nfs/dbraw/zinc/42/21/29/980422129.db2.gz WKJZTCDYQWIRRE-IRXDYDNUSA-N -1 0 349.377 3.677 20 0 EHADRM CC[C@@](NCc1ccc(Br)o1)(C(=O)[O-])c1ccccc1 ZINC000901650948 980429302 /nfs/dbraw/zinc/42/93/02/980429302.db2.gz LKSHPZSBJFGHPV-HNNXBMFYSA-N -1 0 338.201 3.522 20 0 EHADRM COc1cc(OC)c(CNc2cccc([C@H](C)C(=O)[O-])c2)c(OC)c1 ZINC000901815105 980536068 /nfs/dbraw/zinc/53/60/68/980536068.db2.gz IOCIMXUYTOZZKV-LBPRGKRZSA-N -1 0 345.395 3.513 20 0 EHADRM Cc1cc([C@H](NCc2nc(C(C)(C)C)cs2)C(=O)[O-])ccc1F ZINC000901841833 980561866 /nfs/dbraw/zinc/56/18/66/980561866.db2.gz BJXWIDLYUZYUNW-HNNXBMFYSA-N -1 0 336.432 3.804 20 0 EHADRM CC[C@H](OC(=O)CC(C)(C)CC(=O)[O-])C(=O)c1ccc(Cl)cc1 ZINC001595335836 980590095 /nfs/dbraw/zinc/59/00/95/980590095.db2.gz GHFHEGROLUBHCR-ZDUSSCGKSA-N -1 0 340.803 3.736 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001595356671 980714315 /nfs/dbraw/zinc/71/43/15/980714315.db2.gz MWANMXFLHBHVTL-SJLPKXTDSA-N -1 0 347.455 3.550 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C2(C3CCCCC3)CC2)Cc2ccccc21 ZINC000902068427 980718918 /nfs/dbraw/zinc/71/89/18/980718918.db2.gz BPXSFZMEBWITNT-QGZVFWFLSA-N -1 0 327.424 3.558 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)O[C@H](C(=O)[O-])c1ccsc1 ZINC001595357176 980719954 /nfs/dbraw/zinc/71/99/54/980719954.db2.gz UUBOFPBOYXFFBG-GJZGRUSLSA-N -1 0 334.393 3.583 20 0 EHADRM CCCN(CCC)C(=O)c1ccc(NCc2ccc(C(=O)[O-])o2)cc1 ZINC000902102317 980735270 /nfs/dbraw/zinc/73/52/70/980735270.db2.gz AZRBFDZUDKPEPE-UHFFFAOYSA-N -1 0 344.411 3.852 20 0 EHADRM CC[C@@H](Sc1nc2ccccc2n1-c1ccc(OC)cc1)C(=O)[O-] ZINC001595359198 980738984 /nfs/dbraw/zinc/73/89/84/980738984.db2.gz RFXFMLVKCGOEHL-MRXNPFEDSA-N -1 0 342.420 3.989 20 0 EHADRM CCc1oc(CNc2ccccc2-n2nc(C)cc2C)cc1C(=O)[O-] ZINC000902114536 980741825 /nfs/dbraw/zinc/74/18/25/980741825.db2.gz WBXJFLOBOXMMMJ-UHFFFAOYSA-N -1 0 339.395 3.955 20 0 EHADRM C[C@H]1[C@H](Nc2cccc(Oc3cnccn3)c2)CC[C@H]1CC(=O)[O-] ZINC000902117667 980742949 /nfs/dbraw/zinc/74/29/49/980742949.db2.gz VQEIFYVYZQHITP-DVOMOZLQSA-N -1 0 327.384 3.570 20 0 EHADRM CCCC(=O)Nc1cccc(CNCc2cc(C(=O)[O-])c(CC)o2)c1 ZINC000902123370 980745691 /nfs/dbraw/zinc/74/56/91/980745691.db2.gz JHZIBRXKPZEQEC-UHFFFAOYSA-N -1 0 344.411 3.569 20 0 EHADRM CC[C@H](c1cccc(OC)c1)N(C)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC001595360233 980749800 /nfs/dbraw/zinc/74/98/00/980749800.db2.gz SOFIQSYPIYYTOD-OAHLLOKOSA-N -1 0 345.399 3.645 20 0 EHADRM CCC(C)(C)NC(=O)c1ccc(NCc2cc(C(=O)[O-])co2)cc1 ZINC000902148858 980758349 /nfs/dbraw/zinc/75/83/49/980758349.db2.gz AHHLCTULZWXIHO-UHFFFAOYSA-N -1 0 330.384 3.508 20 0 EHADRM O=C([O-])/C=C/c1ccc(CN[C@H]2CCCOc3ccc(F)cc32)o1 ZINC000902176486 980769847 /nfs/dbraw/zinc/76/98/47/980769847.db2.gz KWVSSHQKIFDIDH-BVBGJJFLSA-N -1 0 331.343 3.520 20 0 EHADRM CCc1oc(CN[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)cc1C(=O)[O-] ZINC000902194620 980778037 /nfs/dbraw/zinc/77/80/37/980778037.db2.gz CCCUEUQJHVKANI-ZWKOTPCHSA-N -1 0 347.386 3.689 20 0 EHADRM CCC1(C(=O)N2CCc3cc(C(=O)[O-])ccc32)CCC(F)(F)CC1 ZINC001595365293 980803162 /nfs/dbraw/zinc/80/31/62/980803162.db2.gz PQZIMFYULSXRNQ-UHFFFAOYSA-N -1 0 337.366 3.880 20 0 EHADRM C[C@@H](NCc1ccc(/C=C\C(=O)[O-])o1)c1ccc(C(F)(F)F)nc1 ZINC000902262457 980806443 /nfs/dbraw/zinc/80/64/43/980806443.db2.gz BHTALRCOKDSCDT-ONRRBMGISA-N -1 0 340.301 3.642 20 0 EHADRM CCc1oc(CN[C@@H](CC)c2cccc(OC)c2OC)cc1C(=O)[O-] ZINC000902268760 980809084 /nfs/dbraw/zinc/80/90/84/980809084.db2.gz CAHQTJOCZBFQDM-HNNXBMFYSA-N -1 0 347.411 3.798 20 0 EHADRM Cc1cc(NCc2cccc(C(=O)[O-])n2)ccc1OCC(F)(F)F ZINC000902284486 980817381 /nfs/dbraw/zinc/81/73/81/980817381.db2.gz DHWIODCSUXLISA-UHFFFAOYSA-N -1 0 340.301 3.641 20 0 EHADRM O=C([O-])c1ccc(CNc2ccc(O[C@@H]3CCOC3)cc2)cc1Cl ZINC000902294093 980821285 /nfs/dbraw/zinc/82/12/85/980821285.db2.gz BDXMOUBKTZMJLR-OAHLLOKOSA-N -1 0 347.798 3.818 20 0 EHADRM CCC1(CC)CCN(C(=O)Cn2cc(C(=O)[O-])c3ccccc32)CC1 ZINC001595374962 980890192 /nfs/dbraw/zinc/89/01/92/980890192.db2.gz HKNWHXHBFWIZHT-UHFFFAOYSA-N -1 0 342.439 3.768 20 0 EHADRM C[C@@]1(c2ccc(C(F)(F)F)cc2)CCCN1C(=O)CCCC(=O)[O-] ZINC000902516481 980916651 /nfs/dbraw/zinc/91/66/51/980916651.db2.gz GEYKPLLZPJGMAK-INIZCTEOSA-N -1 0 343.345 3.798 20 0 EHADRM CSc1ccc(NCc2ccc(N(C)C(C)C)nc2)cc1C(=O)[O-] ZINC000902566901 980936380 /nfs/dbraw/zinc/93/63/80/980936380.db2.gz HNACCJBMGZCLGU-UHFFFAOYSA-N -1 0 345.468 3.958 20 0 EHADRM CC[C@@H]1[C@H](C)CCN1C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001595404975 980984276 /nfs/dbraw/zinc/98/42/76/980984276.db2.gz NQHOHADAGLLPKE-FVQBIDKESA-N -1 0 332.444 3.669 20 0 EHADRM CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001595408370 980998062 /nfs/dbraw/zinc/99/80/62/980998062.db2.gz JLPJKMULBHSCPA-PSASIEDQSA-N -1 0 328.771 3.830 20 0 EHADRM CCC1CCC(NC(=O)C[C@@H](C)c2ccc(F)cc2)(C(=O)[O-])CC1 ZINC001595420671 981037269 /nfs/dbraw/zinc/03/72/69/981037269.db2.gz FLTUFFUZDWARCW-VFPJAPOESA-N -1 0 335.419 3.859 20 0 EHADRM CC[C@H]1CCC[C@]1(C)c1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC001595435011 981061548 /nfs/dbraw/zinc/06/15/48/981061548.db2.gz DVDDEJPYWUEKBN-UGSOOPFHSA-N -1 0 330.384 3.815 20 0 EHADRM CC[C@H]1CCC[C@H]1C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC001595435912 981066961 /nfs/dbraw/zinc/06/69/61/981066961.db2.gz NNPLWQLIWDYODD-KBXCAEBGSA-N -1 0 344.455 3.614 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)C[C@H]1OCc2ccccc21 ZINC000905005885 981085627 /nfs/dbraw/zinc/08/56/27/981085627.db2.gz JIVWDJVDLKXGEL-QGZVFWFLSA-N -1 0 325.364 3.547 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1CCOC2(CCCC2)C1 ZINC000905007281 981085692 /nfs/dbraw/zinc/08/56/92/981085692.db2.gz UWPPPZKKRGJXJL-OAHLLOKOSA-N -1 0 331.412 3.625 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001595444580 981089668 /nfs/dbraw/zinc/08/96/68/981089668.db2.gz RJRKEDIZWWNSPX-MFKMUULPSA-N -1 0 339.823 3.866 20 0 EHADRM CC[C@@H]1CCCC[C@H]1OCC(=O)N[C@H](CC(=O)[O-])c1cccc(C)c1 ZINC001595448494 981098935 /nfs/dbraw/zinc/09/89/35/981098935.db2.gz RLUJCAUCWAESHS-KBAYOESNSA-N -1 0 347.455 3.612 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H](CC(=O)[O-])c1cccc(C)c1 ZINC001595448496 981099040 /nfs/dbraw/zinc/09/90/40/981099040.db2.gz RLUJCAUCWAESHS-NXHRZFHOSA-N -1 0 347.455 3.612 20 0 EHADRM CC[C@H]1CCCCN1C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001595451960 981110990 /nfs/dbraw/zinc/11/09/90/981110990.db2.gz WFOJEYDVSKOCLC-JTQLQIEISA-N -1 0 328.771 3.974 20 0 EHADRM CC[C@@H]1CCC[C@@H]1CNC(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001595452217 981112832 /nfs/dbraw/zinc/11/28/32/981112832.db2.gz GWFWPPKYMFLUSM-TZMCWYRMSA-N -1 0 341.411 3.881 20 0 EHADRM Cc1cc(CN[C@@H](C)c2c(F)cccc2F)cc(C)c1OCC(=O)[O-] ZINC000905727643 981126424 /nfs/dbraw/zinc/12/64/24/981126424.db2.gz ORFXMDSPNLGXPQ-ZDUSSCGKSA-N -1 0 349.377 3.896 20 0 EHADRM COc1c(NC(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)cccc1C(=O)[O-] ZINC000906500045 981170119 /nfs/dbraw/zinc/17/01/19/981170119.db2.gz JWNTVDDCDGWBPB-KGLIPLIRSA-N -1 0 343.354 3.665 20 0 EHADRM CC[C@@H]1CN(C(=O)c2oc(C(=O)[O-])cc2C)CC[C@@H]1c1ccccc1 ZINC001595480543 981197862 /nfs/dbraw/zinc/19/78/62/981197862.db2.gz JNXPGSWJCNNOIZ-ZBFHGGJFSA-N -1 0 341.407 3.942 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)c1ccc(Cl)c3occc31)CC2 ZINC000907752371 981215040 /nfs/dbraw/zinc/21/50/40/981215040.db2.gz PGZFSTVLRSQTPY-DYVFJYSZSA-N -1 0 333.771 3.556 20 0 EHADRM CC(C)c1cccc(C(=O)N[C@@H]2CCSC3(CC(C(=O)[O-])C3)C2)c1 ZINC000908174147 981278307 /nfs/dbraw/zinc/27/83/07/981278307.db2.gz OVPAPGVSTOQBDW-KOHRHEQBSA-N -1 0 347.480 3.669 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)c2cc(O)c3ccccc3c2)CCC1 ZINC000908337421 981301861 /nfs/dbraw/zinc/30/18/61/981301861.db2.gz AIKXXORMHFFZKV-UHFFFAOYSA-N -1 0 341.407 3.700 20 0 EHADRM CC(C)(CC(=O)N1CCC(C(=O)[O-])CC1)Cc1ccc(Cl)cc1 ZINC000908587435 981323462 /nfs/dbraw/zinc/32/34/62/981323462.db2.gz MPKJGFRQVVWKIH-UHFFFAOYSA-N -1 0 337.847 3.622 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1ccoc1CC(=O)[O-])c1ccc(F)cc1 ZINC000908730357 981349894 /nfs/dbraw/zinc/34/98/94/981349894.db2.gz VCDGGRDXKUFVNE-MRXNPFEDSA-N -1 0 333.359 3.563 20 0 EHADRM CN(CCCCc1ccccc1)C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000908737437 981350511 /nfs/dbraw/zinc/35/05/11/981350511.db2.gz DHCJVJAQLARHSI-UHFFFAOYSA-N -1 0 343.467 3.893 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N(CCc1ccccc1)C1CCCC1 ZINC000908776761 981360875 /nfs/dbraw/zinc/36/08/75/981360875.db2.gz STRPQVMBCHQLLL-UHFFFAOYSA-N -1 0 341.407 3.534 20 0 EHADRM CCS[C@H]1CCCCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1 ZINC000908798056 981364285 /nfs/dbraw/zinc/36/42/85/981364285.db2.gz VGKAKIUPWZIPRY-NNGSBXSVSA-N -1 0 339.501 3.546 20 0 EHADRM CCCC(=O)Nc1ccc(-c2csc(CCCC(=O)[O-])n2)cc1 ZINC001595529489 981364288 /nfs/dbraw/zinc/36/42/88/981364288.db2.gz VQMZQQLTHIZXRL-UHFFFAOYSA-N -1 0 332.425 3.956 20 0 EHADRM CCC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001595532704 981373134 /nfs/dbraw/zinc/37/31/34/981373134.db2.gz MDRUYYVNLSUHSB-GMBSWORKSA-N -1 0 349.858 3.937 20 0 EHADRM Cc1ncsc1CCC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000908899005 981385111 /nfs/dbraw/zinc/38/51/11/981385111.db2.gz POIFLBWBLBJKOR-UHFFFAOYSA-N -1 0 348.424 3.508 20 0 EHADRM CCC[C@@H](C(=O)Nc1cc(C(=O)[O-])cnc1Cl)c1ccccc1 ZINC001595538237 981390811 /nfs/dbraw/zinc/39/08/11/981390811.db2.gz QXJNKAAOBZFZLE-CYBMUJFWSA-N -1 0 332.787 3.956 20 0 EHADRM CC[C@H](C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)[NH+](CC)CC ZINC000909118838 981420487 /nfs/dbraw/zinc/42/04/87/981420487.db2.gz FMPZAUNFPSEFKZ-CYBMUJFWSA-N -1 0 334.441 3.658 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1cccc2c1CCCC2 ZINC000909161471 981429912 /nfs/dbraw/zinc/42/99/12/981429912.db2.gz LASQSJRPGFPAFO-UHFFFAOYSA-N -1 0 339.391 3.590 20 0 EHADRM CCC[C@@](C)(NCc1nnc(-c2cccc3ccccc32)o1)C(=O)[O-] ZINC001595559835 981443119 /nfs/dbraw/zinc/44/31/19/981443119.db2.gz RICDJUWCMNDXPU-LJQANCHMSA-N -1 0 339.395 3.623 20 0 EHADRM CCC[C@@H](C)[C@@H]1CCCN1C(=O)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC001595571909 981481672 /nfs/dbraw/zinc/48/16/72/981481672.db2.gz MFKQKGRRQWSTFG-DYVFJYSZSA-N -1 0 348.443 3.964 20 0 EHADRM CC(C)Oc1ccccc1[C@H](C)NC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000909402848 981484719 /nfs/dbraw/zinc/48/47/19/981484719.db2.gz NBUKJDPWTLKCCG-JAGHRAMZSA-N -1 0 345.439 3.686 20 0 EHADRM CCC[C@@H](CC)C(=O)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001595586245 981530532 /nfs/dbraw/zinc/53/05/32/981530532.db2.gz TXNUQVPTPHILTP-ZWNOBZJWSA-N -1 0 331.334 3.774 20 0 EHADRM CCC[C@H](CC(C)C)C(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001595586314 981531261 /nfs/dbraw/zinc/53/12/61/981531261.db2.gz VMPZJPCXQLKLDR-GFCCVEGCSA-N -1 0 335.400 3.572 20 0 EHADRM CC[C@@H](C)Oc1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1 ZINC000909578006 981547320 /nfs/dbraw/zinc/54/73/20/981547320.db2.gz XBZVUCFKMGUUQH-XYJCDUHRSA-N -1 0 331.412 3.838 20 0 EHADRM CCC[C@H](Cc1ccccc1)N(CCC)C(=O)c1cc(C(=O)[O-])no1 ZINC001595594441 981561568 /nfs/dbraw/zinc/56/15/68/981561568.db2.gz QPIHEQRTZIZPID-OAHLLOKOSA-N -1 0 344.411 3.636 20 0 EHADRM COCCC[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000909693121 981572010 /nfs/dbraw/zinc/57/20/10/981572010.db2.gz GXNGQYGYPWQKBV-KSSFIOAISA-N -1 0 343.423 3.535 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@H]3CCCc4sccc43)(CC1)CC2 ZINC000909725268 981580527 /nfs/dbraw/zinc/58/05/27/981580527.db2.gz UDLXDZDZFNGWQZ-TZYSRNFLSA-N -1 0 333.453 3.667 20 0 EHADRM CCC[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1C)c1ccccn1 ZINC001595600958 981585160 /nfs/dbraw/zinc/58/51/60/981585160.db2.gz ZPQDQWDCKPXWQK-INIZCTEOSA-N -1 0 327.384 3.751 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N1CCC(c2c(Cl)cccc2Cl)CC1 ZINC001594742739 981618518 /nfs/dbraw/zinc/61/85/18/981618518.db2.gz GQZSWTCSKOMNPH-LLVKDONJSA-N -1 0 344.238 3.810 20 0 EHADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000909801834 981632451 /nfs/dbraw/zinc/63/24/51/981632451.db2.gz YZBWEKHRAJZDKH-YVEFUNNKSA-N -1 0 343.354 3.553 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)NC1(c2ccc(C(C)(C)C)cc2)CCCC1 ZINC001594748186 981642571 /nfs/dbraw/zinc/64/25/71/981642571.db2.gz HHJBCYCJEPLUID-MRXNPFEDSA-N -1 0 331.456 3.980 20 0 EHADRM C[C@@H](NC(=O)CC(C)(C)CC(F)F)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000909823834 981645288 /nfs/dbraw/zinc/64/52/88/981645288.db2.gz PUYPHVDIGPXAKV-TZMCWYRMSA-N -1 0 341.398 3.506 20 0 EHADRM CC(C)[C@@H]1C[C@H](CC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)CCO1 ZINC000909831197 981648893 /nfs/dbraw/zinc/64/88/93/981648893.db2.gz NTUNPVNVAQVTFX-VBQJREDUSA-N -1 0 333.428 3.655 20 0 EHADRM Cc1ccccc1NCCC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000909833716 981651297 /nfs/dbraw/zinc/65/12/97/981651297.db2.gz JFWOZAYJIUXWBR-CQSZACIVSA-N -1 0 326.396 3.624 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@H]2CCCc3c(O)cccc32)cc1 ZINC000909833670 981651395 /nfs/dbraw/zinc/65/13/95/981651395.db2.gz OTDVSNPSBVJACW-PXAZEXFGSA-N -1 0 339.391 3.639 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)CCc2ncc(C(C)(C)C)o2)c1 ZINC000909833756 981651493 /nfs/dbraw/zinc/65/14/93/981651493.db2.gz JUZWZIBKPULINF-GFCCVEGCSA-N -1 0 344.411 3.732 20 0 EHADRM COc1cccc2c1[C@@H](C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1)CC2 ZINC000909836811 981657490 /nfs/dbraw/zinc/65/74/90/981657490.db2.gz SEUIACVTEOHLHC-WBMJQRKESA-N -1 0 339.391 3.552 20 0 EHADRM CC[C@](CNC(=O)c1ccc(C(F)F)cc1)(C(=O)[O-])c1ccccc1 ZINC000909845156 981669454 /nfs/dbraw/zinc/66/94/54/981669454.db2.gz JCPPSDOUIQYUEF-LJQANCHMSA-N -1 0 347.361 3.787 20 0 EHADRM CSC1(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)CCC1 ZINC000909846168 981671807 /nfs/dbraw/zinc/67/18/07/981671807.db2.gz ALSLVPIMCRGPKB-UHFFFAOYSA-N -1 0 348.468 3.599 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)[C@H]2CCC[C@H]2c2ccccc2)s1 ZINC000909846433 981671891 /nfs/dbraw/zinc/67/18/91/981671891.db2.gz BMQUBWZHVICZDK-GJZGRUSLSA-N -1 0 329.421 3.646 20 0 EHADRM CCC[C@H]1C[C@H](C(=O)Nc2ccc(OC(C)C)cc2C(=O)[O-])CCO1 ZINC001595620249 981687977 /nfs/dbraw/zinc/68/79/77/981687977.db2.gz ASDWUFHIMPOGMY-KGLIPLIRSA-N -1 0 349.427 3.706 20 0 EHADRM CCC[C@H]1CCCC[C@H]1CNC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001595621129 981696458 /nfs/dbraw/zinc/69/64/58/981696458.db2.gz CIFHTYHJMHSWKE-WMZOPIPTSA-N -1 0 346.471 3.833 20 0 EHADRM C[C@@H](c1ccc(C(=O)NC[C@@H](CC2CC2)C(=O)[O-])cc1)C(F)(F)F ZINC000909884258 981696645 /nfs/dbraw/zinc/69/66/45/981696645.db2.gz OZCGBWCXCPNKII-IINYFYTJSA-N -1 0 343.345 3.583 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C(C)C ZINC001594762313 981697968 /nfs/dbraw/zinc/69/79/68/981697968.db2.gz TXNXEJHADYQBRE-CYBMUJFWSA-N -1 0 349.818 3.698 20 0 EHADRM CCC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001595621234 981698085 /nfs/dbraw/zinc/69/80/85/981698085.db2.gz DZZBOOSVFGWCHP-BXUZGUMPSA-N -1 0 344.415 3.742 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@H](C)c1ccccc1C)c1ccccc1 ZINC001594764243 981705660 /nfs/dbraw/zinc/70/56/60/981705660.db2.gz LCVNUFGMEDERQC-QAPCUYQASA-N -1 0 325.408 3.995 20 0 EHADRM CCC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC001595622647 981712606 /nfs/dbraw/zinc/71/26/06/981712606.db2.gz UZOJLCVJHBEZMQ-AAEUAGOBSA-N -1 0 339.819 3.958 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)CCc1cccnc1Cl)c1ccccc1 ZINC001594768061 981727127 /nfs/dbraw/zinc/72/71/27/981727127.db2.gz NIVHNNNBHCWUFR-OAHLLOKOSA-N -1 0 346.814 3.564 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)Cc1coc2ccccc12)c1ccccc1 ZINC001594768298 981729389 /nfs/dbraw/zinc/72/93/89/981729389.db2.gz UVBLZIZRWLMPMS-QGZVFWFLSA-N -1 0 337.375 3.872 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1nsc2ccccc21)c1ccccc1 ZINC001594770807 981742122 /nfs/dbraw/zinc/74/21/22/981742122.db2.gz OCEGIDVMEGLDPK-CQSZACIVSA-N -1 0 340.404 3.806 20 0 EHADRM CCCC[C@H](C(=O)N[C@@H](C)[C@@H](Cc1ccccc1)C(=O)[O-])C(C)C ZINC001595627484 981772922 /nfs/dbraw/zinc/77/29/22/981772922.db2.gz HPCCJJQHFBFJEV-RYQLBKOJSA-N -1 0 333.472 3.897 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@H](C)c1c(F)cccc1F ZINC001594779569 981781794 /nfs/dbraw/zinc/78/17/94/981781794.db2.gz BBFHLMVSKNOAED-ZMZPIMSZSA-N -1 0 339.382 3.560 20 0 EHADRM CC[C@@H](CCc1ccccc1)NC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000910204119 981782306 /nfs/dbraw/zinc/78/23/06/981782306.db2.gz AJNNJQPBEGOHKG-DZIBYMRMSA-N -1 0 329.440 3.549 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)CC/C=C\c1ccccc1 ZINC001594780705 981784938 /nfs/dbraw/zinc/78/49/38/981784938.db2.gz HMVGVCANXJMWOL-RVPHRTOXSA-N -1 0 329.440 3.972 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)C1(Cc2ccccc2F)CC1 ZINC001594783691 981796097 /nfs/dbraw/zinc/79/60/97/981796097.db2.gz ZHIWOCCNBSUJOP-LJQANCHMSA-N -1 0 347.430 3.640 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1oc(C(F)F)cc1C ZINC001594786519 981812640 /nfs/dbraw/zinc/81/26/40/981812640.db2.gz XFMNXDMFINGUDM-MRXNPFEDSA-N -1 0 329.343 3.631 20 0 EHADRM CC(C)[C@H]1C[C@@H](CC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CCO1 ZINC000910298221 981852849 /nfs/dbraw/zinc/85/28/49/981852849.db2.gz JZGFCWHMCSEAKK-VIBAHUMZSA-N -1 0 345.439 3.655 20 0 EHADRM CCCC[C@@H](CCC)CNS(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC001595632414 981854021 /nfs/dbraw/zinc/85/40/21/981854021.db2.gz HDARPQJARQQFOJ-GFCCVEGCSA-N -1 0 347.502 3.640 20 0 EHADRM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N[C@H]2CC=C(C(=O)[O-])C2)CC1 ZINC001594796820 981881709 /nfs/dbraw/zinc/88/17/09/981881709.db2.gz MUSWQJQZHXFYLO-QNBXZPKWSA-N -1 0 333.472 3.909 20 0 EHADRM CCCC[C@@H](NC(=O)[C@H](C)Oc1cc(C(C)C)ccc1C)C(=O)[O-] ZINC001595634156 981882767 /nfs/dbraw/zinc/88/27/67/981882767.db2.gz JJFWPYOMALTKNP-GOEBONIOSA-N -1 0 335.444 3.645 20 0 EHADRM CCCC[C@H](NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001595634583 981890167 /nfs/dbraw/zinc/89/01/67/981890167.db2.gz QIAWHFGNGSTVBW-BBRMVZONSA-N -1 0 335.444 3.511 20 0 EHADRM CCC(C)(C)NC(=S)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001594806174 981912420 /nfs/dbraw/zinc/91/24/20/981912420.db2.gz WZWOINICHLMQTB-NSHDSACASA-N -1 0 348.390 3.641 20 0 EHADRM CCCC[C@@H](NC(=O)c1cc(OCc2ccccc2)cs1)C(=O)[O-] ZINC001595636691 981920681 /nfs/dbraw/zinc/92/06/81/981920681.db2.gz KJJPMBYMGAQZOW-OAHLLOKOSA-N -1 0 347.436 3.700 20 0 EHADRM CCCC[C@H](NC(=O)c1sc(C2CCCCC2)nc1C)C(=O)[O-] ZINC001595637472 981931296 /nfs/dbraw/zinc/93/12/96/981931296.db2.gz IJTYEYOTYDESFD-ZDUSSCGKSA-N -1 0 338.473 3.872 20 0 EHADRM CCC(C)(C)OCc1ccccc1NC(=O)NCC(C)(C)C(=O)[O-] ZINC001594814046 981936010 /nfs/dbraw/zinc/93/60/10/981936010.db2.gz FLECTLXSNGEGHX-UHFFFAOYSA-N -1 0 336.432 3.624 20 0 EHADRM CCC(C)(CC)C(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001594830601 982013389 /nfs/dbraw/zinc/01/33/89/982013389.db2.gz YOEWFBPXNTXYSC-UHFFFAOYSA-N -1 0 328.206 3.912 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)c1cccc(OC)c1 ZINC000910617818 982021503 /nfs/dbraw/zinc/02/15/03/982021503.db2.gz CPKRJKGZGOADQE-LBPRGKRZSA-N -1 0 343.379 3.534 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)c1ccccc1C ZINC000910624176 982033288 /nfs/dbraw/zinc/03/32/88/982033288.db2.gz NTIKDUAXHTUYBH-CYBMUJFWSA-N -1 0 327.380 3.834 20 0 EHADRM CC[C@](C)(NC(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC001594837182 982042641 /nfs/dbraw/zinc/04/26/41/982042641.db2.gz NHEHMBUHKZSJMB-FYGXRCCRSA-N -1 0 347.411 3.937 20 0 EHADRM CCCCn1ncc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1C(C)C ZINC000910654882 982043640 /nfs/dbraw/zinc/04/36/40/982043640.db2.gz DMDPCHFEVPHYEJ-UONOGXRCSA-N -1 0 335.448 3.636 20 0 EHADRM CCc1c(NC(=O)/C=C/c2cc(C(=O)[O-])co2)cnn1C(CC)CC ZINC000910656660 982044751 /nfs/dbraw/zinc/04/47/51/982044751.db2.gz OMPZLZMVXKWHQT-BQYQJAHWSA-N -1 0 345.399 3.750 20 0 EHADRM CC(C)CCn1ncc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1C(C)C ZINC000910657466 982045615 /nfs/dbraw/zinc/04/56/15/982045615.db2.gz ZNNGOVBAPYGCLY-CABCVRRESA-N -1 0 349.475 3.882 20 0 EHADRM CC[C@](C)(NC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001594841287 982052780 /nfs/dbraw/zinc/05/27/80/982052780.db2.gz BLUKRASRVNBOAO-DIFFPNOSSA-N -1 0 347.440 3.527 20 0 EHADRM CC(C)c1ccccc1C(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2 ZINC000910686642 982063144 /nfs/dbraw/zinc/06/31/44/982063144.db2.gz YBSABCAUKWDHIG-NSHDSACASA-N -1 0 344.436 3.708 20 0 EHADRM CCCC[C@@H](SCc1nc2c3ccccc3oc2c(=O)[nH]1)C(=O)[O-] ZINC001595657704 982066015 /nfs/dbraw/zinc/06/60/15/982066015.db2.gz QTGVCSKDTGMTJP-GFCCVEGCSA-N -1 0 346.408 3.958 20 0 EHADRM CC(C)c1sc(NC(=O)C2(C(F)(F)F)CCC2)nc1C(=O)[O-] ZINC000910701938 982072132 /nfs/dbraw/zinc/07/21/32/982072132.db2.gz YPKDCZAXMGTDTQ-UHFFFAOYSA-N -1 0 336.335 3.636 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(Br)c(C(=O)[O-])c1)C1CC1 ZINC000910708817 982076890 /nfs/dbraw/zinc/07/68/90/982076890.db2.gz YMDKYJWGQLIQIJ-QMMMGPOBSA-N -1 0 326.190 3.522 20 0 EHADRM CCCCC[C@@H](C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1)C(C)C ZINC001595663203 982082162 /nfs/dbraw/zinc/08/21/62/982082162.db2.gz QOZRQPQZMQCWNR-VXGBXAGGSA-N -1 0 326.462 3.871 20 0 EHADRM C[C@@H](C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)c1cccc(F)c1 ZINC000910732247 982093839 /nfs/dbraw/zinc/09/38/39/982093839.db2.gz LASPILGUNMRRHF-MRVPVSSYSA-N -1 0 334.372 3.600 20 0 EHADRM CCCCC[C@@H](CC)C(=O)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001595668615 982111568 /nfs/dbraw/zinc/11/15/68/982111568.db2.gz CCJDBNCALXHEFZ-CQSZACIVSA-N -1 0 333.428 3.712 20 0 EHADRM CCCCC[C@H](NC(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)[O-] ZINC001595671857 982126524 /nfs/dbraw/zinc/12/65/24/982126524.db2.gz GXGPYBPLPUGIBE-UPJWGTAASA-N -1 0 337.382 3.895 20 0 EHADRM O=C([O-])CC1CC(NC(=O)CCCc2ccc3ccccc3c2)C1 ZINC000910807577 982129056 /nfs/dbraw/zinc/12/90/56/982129056.db2.gz UXPXBTNDBKJNJD-UHFFFAOYSA-N -1 0 325.408 3.532 20 0 EHADRM O=C([O-])CC1CC(NC(=O)c2ccccc2SCc2ccco2)C1 ZINC000910810684 982132163 /nfs/dbraw/zinc/13/21/63/982132163.db2.gz ZJTDESBOBKADTR-UHFFFAOYSA-N -1 0 345.420 3.555 20 0 EHADRM CC/C(C)=C\C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC001594860409 982136870 /nfs/dbraw/zinc/13/68/70/982136870.db2.gz FUUBCITXOVDZSQ-DAXSKMNVSA-N -1 0 330.153 3.581 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cc(C)n([C@@H](C)C2CC2)n1 ZINC000910960133 982179020 /nfs/dbraw/zinc/17/90/20/982179020.db2.gz XKMIZTICAFYGPP-LBPRGKRZSA-N -1 0 341.411 3.675 20 0 EHADRM CCCCCCC(=O)N[C@@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC001595690295 982194479 /nfs/dbraw/zinc/19/44/79/982194479.db2.gz LZJPKFISJQGLFP-OAHLLOKOSA-N -1 0 327.808 3.561 20 0 EHADRM CC1(C(=O)N2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)CCCCCC1 ZINC000911036076 982201678 /nfs/dbraw/zinc/20/16/78/982201678.db2.gz LGSZVMSYPFILDP-GFCCVEGCSA-N -1 0 336.457 3.518 20 0 EHADRM C[C@]1(Cc2cccs2)CCCN1C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000911061917 982220848 /nfs/dbraw/zinc/22/08/48/982220848.db2.gz LDVIKGHUEIQDQT-SUNYJGFJSA-N -1 0 335.469 3.563 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000911083164 982230110 /nfs/dbraw/zinc/23/01/10/982230110.db2.gz QXNIZCBBBJNNSA-UHFFFAOYSA-N -1 0 341.407 3.881 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC000911083618 982230251 /nfs/dbraw/zinc/23/02/51/982230251.db2.gz WJDYCLLQGQIGSG-UHFFFAOYSA-N -1 0 341.407 3.881 20 0 EHADRM CC[C@H](C)[C@H](C)C(=O)Oc1ccc(C(=O)[O-])cc1Br ZINC001594881086 982234371 /nfs/dbraw/zinc/23/43/71/982234371.db2.gz MNCRXVNAUUYFEY-IUCAKERBSA-N -1 0 329.190 3.735 20 0 EHADRM CCCCCC[C@@H](O)CCC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001595703067 982267425 /nfs/dbraw/zinc/26/74/25/982267425.db2.gz PHNFQFDXTOSIBE-CYBMUJFWSA-N -1 0 325.380 3.574 20 0 EHADRM CCCCCCOCC(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-] ZINC001595710718 982295830 /nfs/dbraw/zinc/29/58/30/982295830.db2.gz KSVJUCTUIQZLNM-UHFFFAOYSA-N -1 0 331.771 3.713 20 0 EHADRM CCCCCCOCC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001595711298 982299216 /nfs/dbraw/zinc/29/92/16/982299216.db2.gz UACPJPFNTGVNAR-KRWDZBQOSA-N -1 0 347.455 3.518 20 0 EHADRM CCCCCOc1ccc(C(=O)Nc2nc(C)c(C(=O)[O-])s2)cc1 ZINC001595720468 982330987 /nfs/dbraw/zinc/33/09/87/982330987.db2.gz CDVWZGBMSGXATO-UHFFFAOYSA-N -1 0 348.424 3.971 20 0 EHADRM CCCCCOc1ccc(C(=O)NCC2(C(=O)[O-])CCCC2)cc1 ZINC001595720968 982334052 /nfs/dbraw/zinc/33/40/52/982334052.db2.gz JLTQXHDEWYPKHA-UHFFFAOYSA-N -1 0 333.428 3.630 20 0 EHADRM CC/C(C)=C/C(=O)N(Cc1ccoc1C(=O)[O-])[C@@H](C)c1ccccn1 ZINC000911326945 982351527 /nfs/dbraw/zinc/35/15/27/982351527.db2.gz AYQAESFDJZZSFS-CMPYXILNSA-N -1 0 342.395 3.819 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)CCc1ccccc1C(=O)[O-])C(C)C ZINC000911376447 982392764 /nfs/dbraw/zinc/39/27/64/982392764.db2.gz GCSKUVKIOMYOTF-GOSISDBHSA-N -1 0 340.423 3.534 20 0 EHADRM O=C([O-])C1(C(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)CC2(CCC2)C1 ZINC000911389687 982413825 /nfs/dbraw/zinc/41/38/25/982413825.db2.gz JHKHFXVKVUXQOI-RYUDHWBXSA-N -1 0 347.377 3.506 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)c2cc(C(=O)[O-])ccc2Cl)n1 ZINC000911391910 982414923 /nfs/dbraw/zinc/41/49/23/982414923.db2.gz XCVDEQKOHKILGW-MRXNPFEDSA-N -1 0 344.798 3.719 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)c1cccc(SC(F)(F)F)c1)C(=O)[O-] ZINC001594912859 982426381 /nfs/dbraw/zinc/42/63/81/982426381.db2.gz PZKOHFDNQZWYHH-GZMMTYOYSA-N -1 0 335.347 3.528 20 0 EHADRM Cc1ccccc1C(C)(C)NC(=O)CCc1ccccc1C(=O)[O-] ZINC000911432176 982431777 /nfs/dbraw/zinc/43/17/77/982431777.db2.gz FNPKMDIYQWARHJ-UHFFFAOYSA-N -1 0 325.408 3.677 20 0 EHADRM C[C@@H](NC(=O)CCCCC(=O)[O-])[C@@H](C)c1ccccc1C(F)(F)F ZINC000911508368 982463587 /nfs/dbraw/zinc/46/35/87/982463587.db2.gz IYHVPSSOEHQLAT-VXGBXAGGSA-N -1 0 345.361 3.959 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@H]2c2ccc(F)cc2F)oc1C(=O)[O-] ZINC000911547821 982492109 /nfs/dbraw/zinc/49/21/09/982492109.db2.gz ZXKIXPGBQDYBCU-ZDUSSCGKSA-N -1 0 335.306 3.542 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@H]3CC[C@H](c4cccc(F)c4)C3)(CC1)C2 ZINC000911575427 982512513 /nfs/dbraw/zinc/51/25/13/982512513.db2.gz ZYQZHKJPDYEXEI-RJAKNQMXSA-N -1 0 345.414 3.613 20 0 EHADRM COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)CCCCC(=O)[O-] ZINC000911575033 982512548 /nfs/dbraw/zinc/51/25/48/982512548.db2.gz XOXHTJNXQNZOKG-ZBFHGGJFSA-N -1 0 333.428 3.640 20 0 EHADRM C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000911592999 982525448 /nfs/dbraw/zinc/52/54/48/982525448.db2.gz ZGUYGMGENSOTDX-WCQYABFASA-N -1 0 343.345 3.507 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000911593435 982525772 /nfs/dbraw/zinc/52/57/72/982525772.db2.gz YYVJXNOECITSSH-UHFFFAOYSA-N -1 0 348.830 3.528 20 0 EHADRM CCCCOc1ccc(C(=O)N(CC(=O)[O-])C2CCCCC2)cc1 ZINC001595774343 982529966 /nfs/dbraw/zinc/52/99/66/982529966.db2.gz NTINJFWPCZISKF-UHFFFAOYSA-N -1 0 333.428 3.725 20 0 EHADRM CC/C(C)=C(/C)C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000911598960 982532798 /nfs/dbraw/zinc/53/27/98/982532798.db2.gz XEGDUHSDTCFGAS-YPKPFQOOSA-N -1 0 330.428 3.534 20 0 EHADRM CCCCOc1ccc(CCNC(=O)c2ccsc2C(=O)[O-])cc1 ZINC001595775699 982539965 /nfs/dbraw/zinc/53/99/65/982539965.db2.gz RTIUVKPIQYIXLB-UHFFFAOYSA-N -1 0 347.436 3.598 20 0 EHADRM CCCCOc1ccc(NC(=O)NC[C@@H](CC(=O)[O-])C2CC2)c(C)c1 ZINC001595775843 982543161 /nfs/dbraw/zinc/54/31/61/982543161.db2.gz ZTNCJUVVDNRTCS-OAHLLOKOSA-N -1 0 348.443 3.796 20 0 EHADRM CC[C@@H](C)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001594930943 982556941 /nfs/dbraw/zinc/55/69/41/982556941.db2.gz DEMHCRWHRQXNNO-MFKMUULPSA-N -1 0 331.334 3.774 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CC=C(c3cccc4ccccc43)C2)C1 ZINC000911650956 982584285 /nfs/dbraw/zinc/58/42/85/982584285.db2.gz IHTXNRXIICTLJP-IAGOWNOFSA-N -1 0 349.430 3.956 20 0 EHADRM CC[C@H](C)CC(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC001594935690 982588372 /nfs/dbraw/zinc/58/83/72/982588372.db2.gz ZVRBQWYNLXEDBA-QMMMGPOBSA-N -1 0 328.206 3.830 20 0 EHADRM CCCCc1nc(-c2cn([C@@H]3CCC[C@H](C(=O)[O-])C3)nn2)cs1 ZINC001595797565 982607308 /nfs/dbraw/zinc/60/73/08/982607308.db2.gz PFSRGMPKHQLENK-NWDGAFQWSA-N -1 0 334.445 3.560 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)CCOc1ccc(C(C)C)cc1)C(=O)[O-] ZINC001594939571 982611257 /nfs/dbraw/zinc/61/12/57/982611257.db2.gz UJHHUVAWCLNJGK-PBHICJAKSA-N -1 0 335.444 3.585 20 0 EHADRM CCCCc1oc2ccccc2c1CN(C)c1ccnc(C(=O)[O-])n1 ZINC001595801943 982616223 /nfs/dbraw/zinc/61/62/23/982616223.db2.gz DYFSDLANDFXUIL-UHFFFAOYSA-N -1 0 339.395 3.900 20 0 EHADRM CC(C)Oc1c(NC(=O)[C@@H](C)c2ccccc2)cccc1C(=O)[O-] ZINC000911734292 982618322 /nfs/dbraw/zinc/61/83/22/982618322.db2.gz PUDMMGMSFJSCMB-ZDUSSCGKSA-N -1 0 327.380 3.914 20 0 EHADRM CC(C)Oc1c(NC(=O)CO[C@@H]2CCC[C@H](C)C2)cccc1C(=O)[O-] ZINC000911738591 982621558 /nfs/dbraw/zinc/62/15/58/982621558.db2.gz FGRNOVCYUYYLIJ-UONOGXRCSA-N -1 0 349.427 3.706 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)c1cccc2c1ccn2CC(C)C)C(=O)[O-] ZINC001594945660 982634799 /nfs/dbraw/zinc/63/47/99/982634799.db2.gz FLJMFPDRYGOJEV-RHSMWYFYSA-N -1 0 344.455 3.917 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)c1[nH]c2c(cccc2Cl)c1C)C(=O)[O-] ZINC001594946489 982641863 /nfs/dbraw/zinc/64/18/63/982641863.db2.gz WYKRTGHJJWSUOM-ZANVPECISA-N -1 0 336.819 3.749 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@]2(C)Cc2cccc(F)c2)oc1C(=O)[O-] ZINC000911774167 982642625 /nfs/dbraw/zinc/64/26/25/982642625.db2.gz SUKCKYQPUCTBKJ-LJQANCHMSA-N -1 0 345.370 3.663 20 0 EHADRM Cc1nc2ccccc2cc1C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000914730889 982657473 /nfs/dbraw/zinc/65/74/73/982657473.db2.gz NFYGSBQOBUBCLB-HNNXBMFYSA-N -1 0 340.404 3.551 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1CCO[C@H](C(C)C)C1 ZINC000923047300 982698435 /nfs/dbraw/zinc/69/84/35/982698435.db2.gz FJHOJCNFHREHOS-DYVFJYSZSA-N -1 0 349.427 3.562 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccsc1C(F)F)c1ccccc1 ZINC000923061671 982701050 /nfs/dbraw/zinc/70/10/50/982701050.db2.gz JPCOHTMGWWAWSU-JOYOIKCWSA-N -1 0 339.363 3.878 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)C[C@H]2CC=CCC2)cc1 ZINC000923065364 982703744 /nfs/dbraw/zinc/70/37/44/982703744.db2.gz ADGJGKFJYNYHFJ-XJKSGUPXSA-N -1 0 333.453 3.787 20 0 EHADRM CCCN(C(=O)c1ccc(COc2ccccc2)cc1)[C@H](C)C(=O)[O-] ZINC001595827315 982712161 /nfs/dbraw/zinc/71/21/61/982712161.db2.gz OVNUINYGAIUXQA-OAHLLOKOSA-N -1 0 341.407 3.591 20 0 EHADRM CCCN(C(=O)c1cc(OCc2ccccc2)cs1)[C@H](C)C(=O)[O-] ZINC001595828021 982714600 /nfs/dbraw/zinc/71/46/00/982714600.db2.gz YDHXYEJFMMPJON-CYBMUJFWSA-N -1 0 347.436 3.652 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)c1noc2c1CC(C)(C)CC2 ZINC000923092959 982718038 /nfs/dbraw/zinc/71/80/38/982718038.db2.gz PNLLTQQTOIGSDB-UHFFFAOYSA-N -1 0 334.397 3.510 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000923095030 982719479 /nfs/dbraw/zinc/71/94/79/982719479.db2.gz PHDSEUGDUAWEFF-FZKQIMNGSA-N -1 0 327.405 3.597 20 0 EHADRM CCCOc1cccc(CC(=O)Nc2cc(C(=O)[O-])sc2C)c1 ZINC000923095594 982720464 /nfs/dbraw/zinc/72/04/64/982720464.db2.gz TUULRQKESYZEPM-UHFFFAOYSA-N -1 0 333.409 3.725 20 0 EHADRM CC[C@H](C)CSCC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1C ZINC001594966919 982725570 /nfs/dbraw/zinc/72/55/70/982725570.db2.gz IAOLPJSZGVONFD-LRDDRELGSA-N -1 0 348.468 3.501 20 0 EHADRM O=C([O-])c1cccc(NC2CCN(C(=O)C[C@H]3CC=CCC3)CC2)c1 ZINC000923107889 982730122 /nfs/dbraw/zinc/73/01/22/982730122.db2.gz CEBFJTAZBXLBMY-HNNXBMFYSA-N -1 0 342.439 3.534 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)NCCc1ccccc1C(=O)[O-] ZINC000923118204 982737418 /nfs/dbraw/zinc/73/74/18/982737418.db2.gz AWQWVONRNNXOMS-CYBMUJFWSA-N -1 0 345.826 3.576 20 0 EHADRM Cc1ccc(CCCCC(=O)NCCc2ccccc2C(=O)[O-])cc1 ZINC000923120107 982739869 /nfs/dbraw/zinc/73/98/69/982739869.db2.gz QGMCGZNAZBSUPH-UHFFFAOYSA-N -1 0 339.435 3.765 20 0 EHADRM CC(C)(C)c1ccc(CC(=O)NCCc2ccccc2C(=O)[O-])cc1 ZINC000923124841 982743834 /nfs/dbraw/zinc/74/38/34/982743834.db2.gz SMKPZGIZIBBTQD-UHFFFAOYSA-N -1 0 339.435 3.584 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc(-c2cccc(F)c2)s1 ZINC001594975432 982749214 /nfs/dbraw/zinc/74/92/14/982749214.db2.gz IPBFSCAKLPQPMU-LLVKDONJSA-N -1 0 335.400 3.880 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000923153444 982767282 /nfs/dbraw/zinc/76/72/82/982767282.db2.gz UEVMJGXJLCQSEX-BXUZGUMPSA-N -1 0 343.345 3.507 20 0 EHADRM CC[C@H](C)N(CCc1ccccc1F)C(=O)c1ccoc1CC(=O)[O-] ZINC001594985714 982808793 /nfs/dbraw/zinc/80/87/93/982808793.db2.gz ZNGZUVMSTRXWPI-ZDUSSCGKSA-N -1 0 347.386 3.529 20 0 EHADRM O=C([O-])CCC1(NC(=O)c2ocnc2-c2ccccc2)CCCCC1 ZINC000923218182 982850244 /nfs/dbraw/zinc/85/02/44/982850244.db2.gz NALOLWUQGYTHTF-UHFFFAOYSA-N -1 0 342.395 3.639 20 0 EHADRM CCCN(C[C@H]1CCCCO1)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC001595870674 982856626 /nfs/dbraw/zinc/85/66/26/982856626.db2.gz UHKKEGFVBBMTLS-OAHLLOKOSA-N -1 0 334.416 3.506 20 0 EHADRM CC[C@@H](C)Oc1cc(C(=O)Nc2sc(C)c(C)c2C(=O)[O-])ccn1 ZINC001594996310 982899869 /nfs/dbraw/zinc/89/98/69/982899869.db2.gz JBEXLPLSAIJKLV-SECBINFHSA-N -1 0 348.424 3.888 20 0 EHADRM CC[C@@H](C)Oc1cc(C(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)ccn1 ZINC001594996778 982902207 /nfs/dbraw/zinc/90/22/07/982902207.db2.gz QLSWLJCIELBDDP-SNVBAGLBSA-N -1 0 349.770 3.830 20 0 EHADRM CC[C@H](C)Oc1cc(-c2noc([C@@H]3CCC[C@@H](C(=O)[O-])C3)n2)ccn1 ZINC001594996744 982902417 /nfs/dbraw/zinc/90/24/17/982902417.db2.gz OWOWWTUWDSYFDP-IACUBPJLSA-N -1 0 345.399 3.667 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)cc1 ZINC001595000384 982912447 /nfs/dbraw/zinc/91/24/47/982912447.db2.gz VXCZBNYOKAUDKU-FQLMCAECSA-N -1 0 333.428 3.578 20 0 EHADRM CCOc1ccccc1C(F)(F)C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001116772500 982934887 /nfs/dbraw/zinc/93/48/87/982934887.db2.gz VIXACUAGGNOHOC-UHFFFAOYSA-N -1 0 349.333 3.822 20 0 EHADRM Cc1ccc(NC(=O)N2CC[C@](C)(C(=O)[O-])C2)c(Cl)c1Cl ZINC001118029178 982941381 /nfs/dbraw/zinc/94/13/81/982941381.db2.gz QLRLRPUKVDFDDA-AWEZNQCLSA-N -1 0 331.199 3.630 20 0 EHADRM CC[C@H](C)c1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1 ZINC001595010818 982943254 /nfs/dbraw/zinc/94/32/54/982943254.db2.gz YQMQBFWTQSXWDL-IFXJQAMLSA-N -1 0 337.419 3.852 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)N(C)C(C)(C)CC(=O)[O-] ZINC001119574492 982987806 /nfs/dbraw/zinc/98/78/06/982987806.db2.gz CZEQQSHSOITBSD-GETOMWPZSA-N -1 0 333.428 3.589 20 0 EHADRM CCCOc1ccccc1NC(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001595969981 983193438 /nfs/dbraw/zinc/19/34/38/983193438.db2.gz URWLCYUYIFWQFT-OAHLLOKOSA-N -1 0 348.443 3.878 20 0 EHADRM CCC[C@@H]1C[C@H]1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001596008031 983264059 /nfs/dbraw/zinc/26/40/59/983264059.db2.gz MWRZPXHHTABHOZ-IUODEOHRSA-N -1 0 327.380 3.678 20 0 EHADRM CCCc1c(C(=O)N2CC([C@H]3CCC[C@H](C)C3)C2)[nH]c(C)c1C(=O)[O-] ZINC001596031397 983303556 /nfs/dbraw/zinc/30/35/56/983303556.db2.gz YCVAIECQJZQGHO-JSGCOSHPSA-N -1 0 346.471 3.872 20 0 EHADRM CCCc1c(C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)[nH]c(C)c1C(=O)[O-] ZINC001596036264 983312500 /nfs/dbraw/zinc/31/25/00/983312500.db2.gz HKVZOBLCLGLZHL-HUUCEWRRSA-N -1 0 332.444 3.672 20 0 EHADRM CCCc1c(C(=O)NC(C2CCC2)C2CCC2)[nH]c(C)c1C(=O)[O-] ZINC001596036435 983313065 /nfs/dbraw/zinc/31/30/65/983313065.db2.gz JOKDDPTXRXFIOF-UHFFFAOYSA-N -1 0 332.444 3.672 20 0 EHADRM CCCc1c(C(=O)N[C@@H]2CCC[C@H](C3CC3)C2)[nH]c(C)c1C(=O)[O-] ZINC001596045381 983332815 /nfs/dbraw/zinc/33/28/15/983332815.db2.gz AIUVEYHILGVDKB-UONOGXRCSA-N -1 0 332.444 3.672 20 0 EHADRM CCCc1cc(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)ccc1Cl ZINC001596054772 983356778 /nfs/dbraw/zinc/35/67/78/983356778.db2.gz AHXRMSZCEGGTRY-INIZCTEOSA-N -1 0 345.826 3.891 20 0 EHADRM CCCc1ccc(C(=O)CCC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC001596060836 983370433 /nfs/dbraw/zinc/37/04/33/983370433.db2.gz WFSPOHOBEDHFFS-UHFFFAOYSA-N -1 0 339.391 3.939 20 0 EHADRM CCCc1ccc([C@@H](NC(=O)c2ccoc2CC(=O)[O-])C(C)C)cc1 ZINC001596062884 983372813 /nfs/dbraw/zinc/37/28/13/983372813.db2.gz LVSFTMQPHPCDNZ-IBGZPJMESA-N -1 0 343.423 3.986 20 0 EHADRM CCCc1ccc([C@H](NC(=O)c2ccc(C(=O)[O-])nc2)C(C)C)cc1 ZINC001596063148 983374154 /nfs/dbraw/zinc/37/41/54/983374154.db2.gz SERNSEZESWIXHK-GOSISDBHSA-N -1 0 340.423 3.859 20 0 EHADRM CCCc1ccccc1C(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC001596070495 983385398 /nfs/dbraw/zinc/38/53/98/983385398.db2.gz HBGQOPPYKDUAEF-SFHVURJKSA-N -1 0 325.408 3.546 20 0 EHADRM CCCc1nc(C)c(COc2c(C(=O)[O-])cncc2C(F)(F)F)o1 ZINC001596083262 983404351 /nfs/dbraw/zinc/40/43/51/983404351.db2.gz IRRLJFKHHKJVAS-UHFFFAOYSA-N -1 0 344.289 3.627 20 0 EHADRM CCCn1ccc2ccc(NC(=O)c3cccc(CC(=O)[O-])c3)cc21 ZINC001596116034 983446465 /nfs/dbraw/zinc/44/64/65/983446465.db2.gz QMPNQEJCWZWECL-UHFFFAOYSA-N -1 0 336.391 3.931 20 0 EHADRM CCCn1ccc2ccc(NC(=O)NC[C@H](CC(=O)[O-])C3CC3)cc21 ZINC001596116263 983447227 /nfs/dbraw/zinc/44/72/27/983447227.db2.gz YWEGMZKQCCUOGF-HNNXBMFYSA-N -1 0 343.427 3.674 20 0 EHADRM CCN(C(=O)Nc1ccc(CCC(=O)[O-])cc1)[C@H]1CCOC(C)(C)C1 ZINC001596158694 983521840 /nfs/dbraw/zinc/52/18/40/983521840.db2.gz RSVUIDNCEAELJL-INIZCTEOSA-N -1 0 348.443 3.515 20 0 EHADRM CCN(C(=O)c1cc(C(=O)[O-])ccn1)c1cccc(Cl)c1Cl ZINC001596160911 983524376 /nfs/dbraw/zinc/52/43/76/983524376.db2.gz LDBWROYYQGCECV-UHFFFAOYSA-N -1 0 339.178 3.753 20 0 EHADRM CCN(C(=O)c1oc(C(=O)[O-])cc1C)c1nc2ccccc2s1 ZINC001596174572 983540700 /nfs/dbraw/zinc/54/07/00/983540700.db2.gz GAMQJYMXVVORLC-UHFFFAOYSA-N -1 0 330.365 3.563 20 0 EHADRM CCN(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1C(=O)[O-] ZINC001596359345 983833096 /nfs/dbraw/zinc/83/30/96/983833096.db2.gz FBCLMTHSDAGKFX-UHFFFAOYSA-N -1 0 331.799 3.629 20 0 EHADRM CCN(Cc1ccc(Cl)c(Cl)c1)c1ncc(C(=O)[O-])cn1 ZINC001596359333 983833266 /nfs/dbraw/zinc/83/32/66/983833266.db2.gz DNLVCWXILTVEDQ-UHFFFAOYSA-N -1 0 326.183 3.508 20 0 EHADRM CCN(Cc1ccoc1)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001596378476 983895203 /nfs/dbraw/zinc/89/52/03/983895203.db2.gz PACSCUDRNFYRFJ-UHFFFAOYSA-N -1 0 326.352 3.655 20 0 EHADRM CCN(Cc1occc1C)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001596380673 983903369 /nfs/dbraw/zinc/90/33/69/983903369.db2.gz UKIKUAHFVNUGGK-UHFFFAOYSA-N -1 0 338.310 3.618 20 0 EHADRM CCNc1nc(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)cs1 ZINC001596505290 984262796 /nfs/dbraw/zinc/26/27/96/984262796.db2.gz QITSNFCALJWSJH-UHFFFAOYSA-N -1 0 341.392 3.679 20 0 EHADRM CCNc1ncc(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)cc1Cl ZINC001596507928 984267626 /nfs/dbraw/zinc/26/76/26/984267626.db2.gz WSFLZEHVKARTCW-JTQLQIEISA-N -1 0 347.802 3.607 20 0 EHADRM CC[N@H+](CCC(F)(F)F)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000092737704 1015033320 /nfs/dbraw/zinc/03/33/20/1015033320.db2.gz MDVSMGYUNALTGK-UHFFFAOYSA-N -1 0 326.702 3.728 20 0 EHADRM CCOC(=O)C1CCC(SCc2cc(C(=O)[O-])oc2CC)CC1 ZINC001596569832 984460967 /nfs/dbraw/zinc/46/09/67/984460967.db2.gz HDBSYCSDIDVXES-UHFFFAOYSA-N -1 0 340.441 3.895 20 0 EHADRM CCOC(=O)C1CCC(S[C@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC001596570810 984465327 /nfs/dbraw/zinc/46/53/27/984465327.db2.gz UZYJZLIGABQEKK-ZALBZXLWSA-N -1 0 340.416 3.807 20 0 EHADRM C=Cc1ccccc1NC(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-] ZINC001588921212 984578293 /nfs/dbraw/zinc/57/82/93/984578293.db2.gz BOHFCKHBWQPMKP-HNNXBMFYSA-N -1 0 342.370 3.534 20 0 EHADRM C/C(=C\C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])c1ccc(F)cc1 ZINC001588933170 984611715 /nfs/dbraw/zinc/61/17/15/984611715.db2.gz PONAOBGSBXLBPE-GXDHUFHOSA-N -1 0 335.419 3.824 20 0 EHADRM C/C(=C\C(=O)NCc1ccccc1CC(=O)[O-])c1ccccc1Cl ZINC001588943297 984640656 /nfs/dbraw/zinc/64/06/56/984640656.db2.gz ZUCNETZRICIPKQ-JLHYYAGUSA-N -1 0 343.810 3.687 20 0 EHADRM C/C(=C\C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1)c1cccs1 ZINC001588944069 984644408 /nfs/dbraw/zinc/64/44/08/984644408.db2.gz NNFHBQVURRGZBI-UQSGXBNBSA-N -1 0 349.383 3.781 20 0 EHADRM C/C(=C\C(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccccc1C ZINC001588947534 984660352 /nfs/dbraw/zinc/66/03/52/984660352.db2.gz YYXJKTKPIZZIIB-GXDHUFHOSA-N -1 0 325.364 3.500 20 0 EHADRM C/C(=C\C1CCC(C)CC1)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC001588956746 984708323 /nfs/dbraw/zinc/70/83/23/984708323.db2.gz ZRQYUNGQULIJJF-OOPFKIAHSA-N -1 0 329.440 3.744 20 0 EHADRM C/C(=C\Cl)CS[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001588990608 984910681 /nfs/dbraw/zinc/91/06/81/984910681.db2.gz BAYNBBCELUNDPF-MXMFLMJRSA-N -1 0 327.833 3.896 20 0 EHADRM C[C@H](OCc1ccccc1)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])cc1 ZINC001599906285 984927127 /nfs/dbraw/zinc/92/71/27/984927127.db2.gz OBUHFEVCPMXEGK-KBPBESRZSA-N -1 0 328.364 3.594 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001588998516 984935655 /nfs/dbraw/zinc/93/56/55/984935655.db2.gz MBGSTOACFHGIOR-CMDGGOBGSA-N -1 0 335.281 3.844 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)OCc1nc(C)c(C(=O)[O-])s1 ZINC001588998530 984935744 /nfs/dbraw/zinc/93/57/44/984935744.db2.gz MCCMHINBCIOUPA-FLIBITNWSA-N -1 0 331.393 3.605 20 0 EHADRM C[C@H]1CC[C@H](C(=O)N[C@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])CC1 ZINC001599908790 984957776 /nfs/dbraw/zinc/95/77/76/984957776.db2.gz KWNVKKMGPGVCKW-KLICCBINSA-N -1 0 343.467 3.892 20 0 EHADRM C/C(=C/c1ccccn1)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001589005187 984963123 /nfs/dbraw/zinc/96/31/23/984963123.db2.gz CDSIOSGFAWHOIT-SEYXRHQNSA-N -1 0 332.359 3.975 20 0 EHADRM CCOC(=O)c1sc2cccc(F)c2c1CS[C@@H](C)C(=O)[O-] ZINC001596761097 985149849 /nfs/dbraw/zinc/14/98/49/985149849.db2.gz OVCQHEXGSOTNMQ-QMMMGPOBSA-N -1 0 342.413 3.923 20 0 EHADRM CCOC(=O)c1sc(S[C@H](C(=O)[O-])c2ccsc2)nc1C ZINC001596761599 985155313 /nfs/dbraw/zinc/15/53/13/985155313.db2.gz YZWKLAZFAGUTFU-JTQLQIEISA-N -1 0 343.451 3.608 20 0 EHADRM CCO[C@H](C(=O)Nc1sc(C)c(C)c1C(=O)[O-])C1CCCC1 ZINC001596767069 985176733 /nfs/dbraw/zinc/17/67/33/985176733.db2.gz UDJAIWPGCKRFGZ-ZDUSSCGKSA-N -1 0 325.430 3.597 20 0 EHADRM C[C@H]1Cc2ccccc2N(C(=O)CCCSC(C)(C)C)[C@H]1C(=O)[O-] ZINC001599936698 985404530 /nfs/dbraw/zinc/40/45/30/985404530.db2.gz CLVULLWXJKGZNK-SUMWQHHRSA-N -1 0 349.496 3.977 20 0 EHADRM C[C@H]1Cc2ccccc2N(C(=O)[C@@H]2C[C@H]2CC(C)(C)C)[C@H]1C(=O)[O-] ZINC001599937571 985414807 /nfs/dbraw/zinc/41/48/07/985414807.db2.gz VZJYZBGOYJWMCH-MKVSYHDVSA-N -1 0 329.440 3.737 20 0 EHADRM C[Si](C)(C)c1ccc(COc2cnc(Cl)cc2C(=O)[O-])cc1 ZINC001599938979 985430893 /nfs/dbraw/zinc/43/08/93/985430893.db2.gz DVSLGOFYVAAUDB-UHFFFAOYSA-N -1 0 335.863 3.557 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)OC(=O)C[C@@H]2CCC[C@@H](C)C2)c(C)c1C(=O)[O-] ZINC001599942641 985474353 /nfs/dbraw/zinc/47/43/53/985474353.db2.gz ALOFVGMHUUEPGG-DDTOSNHZSA-N -1 0 349.427 3.661 20 0 EHADRM CCO[C@H]1C[C@@H](Nc2ccc(C(=O)[O-])cc2OC)C12CCCCC2 ZINC001596842814 985531517 /nfs/dbraw/zinc/53/15/17/985531517.db2.gz MXVYISVZHRXPCY-SJORKVTESA-N -1 0 333.428 3.933 20 0 EHADRM CC(=O)Nc1cc(Cl)c(NC(=O)c2ccccc2C)cc1C(=O)[O-] ZINC001589173820 985541319 /nfs/dbraw/zinc/54/13/19/985541319.db2.gz PXTUIFFWYVAYNV-UHFFFAOYSA-N -1 0 346.770 3.557 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)SCC[C@@H]2CCCCO2)c(C)c1C(=O)[O-] ZINC001599947501 985553832 /nfs/dbraw/zinc/55/38/32/985553832.db2.gz FTVLUGLYVDBUJN-STQMWFEESA-N -1 0 339.457 3.593 20 0 EHADRM C[C@@H]1CN(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])c2ccccc21 ZINC001594487082 985572052 /nfs/dbraw/zinc/57/20/52/985572052.db2.gz ZRBSVBGUQKWPNY-GFCCVEGCSA-N -1 0 334.375 3.559 20 0 EHADRM CCO[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)C1 ZINC001596855609 985608900 /nfs/dbraw/zinc/60/89/00/985608900.db2.gz XLTFOYBBXOWPFG-CYBMUJFWSA-N -1 0 342.395 3.571 20 0 EHADRM CC(=O)Nc1ccc(NC(=O)Nc2cc(C)cc(C(=O)[O-])c2)cc1C ZINC001589195973 985624936 /nfs/dbraw/zinc/62/49/36/985624936.db2.gz QURCOXANMUWQII-UHFFFAOYSA-N -1 0 341.367 3.604 20 0 EHADRM CC(=O)Nc1ccc(N[C@H](C)CC(C)(C)CC(=O)[O-])cc1Cl ZINC001589199614 985636290 /nfs/dbraw/zinc/63/62/90/985636290.db2.gz VIHYKHIDHZOCTG-SNVBAGLBSA-N -1 0 326.824 3.990 20 0 EHADRM C[C@H]1CN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC2(CCC2)O1 ZINC001594500309 985675119 /nfs/dbraw/zinc/67/51/19/985675119.db2.gz HWSNYQJKBZVCQN-IINYFYTJSA-N -1 0 344.238 3.763 20 0 EHADRM C[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)C[C@@H](C2CC2)O1 ZINC001594501081 985684685 /nfs/dbraw/zinc/68/46/85/985684685.db2.gz LAUHNLKXLZSZBP-ZDBHGNHJSA-N -1 0 344.238 3.618 20 0 EHADRM C[C@@H]1CN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C[C@H](C2CC2)O1 ZINC001594503458 985699069 /nfs/dbraw/zinc/69/90/69/985699069.db2.gz YRXQZZADJVPIPR-ZWZTZDBGSA-N -1 0 344.238 3.618 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1ccc(SC(F)F)cc1 ZINC001599956710 985700423 /nfs/dbraw/zinc/70/04/23/985700423.db2.gz LTUPWLILKOYLJZ-UHFFFAOYSA-N -1 0 340.351 3.897 20 0 EHADRM C[C@@H]1CN(C)c2ccccc2N(C(=O)CC2(CC(=O)[O-])CCCC2)C1 ZINC001594509430 985776193 /nfs/dbraw/zinc/77/61/93/985776193.db2.gz YDMXDDAVLLFRKC-OAHLLOKOSA-N -1 0 344.455 3.531 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC001599977863 986120515 /nfs/dbraw/zinc/12/05/15/986120515.db2.gz HQJRJFHYCLIESE-ZDUSSCGKSA-N -1 0 349.408 3.966 20 0 EHADRM CC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccc(C(=O)[O-])cc1 ZINC001589318369 986121863 /nfs/dbraw/zinc/12/18/63/986121863.db2.gz ZCIYJDBDMHWKCW-LBPRGKRZSA-N -1 0 343.404 3.707 20 0 EHADRM Cc1c2ccccc2oc1C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001599979975 986150105 /nfs/dbraw/zinc/15/01/05/986150105.db2.gz JRQJJDZNWGSADP-AWEZNQCLSA-N -1 0 329.396 3.752 20 0 EHADRM CCON(Cc1ccccc1)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001596968672 986185405 /nfs/dbraw/zinc/18/54/05/986185405.db2.gz KSYYVTTVHARXRH-UHFFFAOYSA-N -1 0 328.368 3.679 20 0 EHADRM C[C@@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001589340178 986248551 /nfs/dbraw/zinc/24/85/51/986248551.db2.gz YODZHURYEXMKFV-GFCCVEGCSA-N -1 0 331.799 3.800 20 0 EHADRM CCOc1c(Cl)cc(NC(=O)NC2(CC(=O)[O-])CC2)cc1Cl ZINC001596986952 986259002 /nfs/dbraw/zinc/25/90/02/986259002.db2.gz FJROTOFOIUGUBW-UHFFFAOYSA-N -1 0 347.198 3.521 20 0 EHADRM CCOc1c(Cl)cc(NC(=O)c2cc(C(=O)[O-])co2)cc1Cl ZINC001596986995 986260166 /nfs/dbraw/zinc/26/01/66/986260166.db2.gz IQHQAKOHNJSFCY-UHFFFAOYSA-N -1 0 344.150 3.936 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)C1[C@H]2CCCCCC[C@H]12 ZINC001597009310 986342265 /nfs/dbraw/zinc/34/22/65/986342265.db2.gz MFDBTEVJTLKBEM-KBPBESRZSA-N -1 0 331.412 3.938 20 0 EHADRM C[C@H](C(=O)N1CCC[C@@](C)(C(=O)[O-])C1)c1ccccc1C(F)(F)F ZINC001589357233 986345766 /nfs/dbraw/zinc/34/57/66/986345766.db2.gz WTCJSJGICFUHLL-MEDUHNTESA-N -1 0 343.345 3.522 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)c1ccccc1F ZINC001597009754 986346333 /nfs/dbraw/zinc/34/63/33/986346333.db2.gz RJWUXNIAPBHLHV-LLVKDONJSA-N -1 0 331.343 3.665 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1cccc2c1CCCC2 ZINC001597025360 986431169 /nfs/dbraw/zinc/43/11/69/986431169.db2.gz KDQZRMMQPRBAMY-UHFFFAOYSA-N -1 0 339.391 3.915 20 0 EHADRM C[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccsc1)c1ccc2ccccc2c1 ZINC001589378433 986444005 /nfs/dbraw/zinc/44/40/05/986444005.db2.gz JVVFLNPCSVURIS-PXAZEXFGSA-N -1 0 339.416 3.947 20 0 EHADRM CCOc1ccc(-c2ccc(CC(=O)[O-])cc2OC)cc1OCC ZINC001597048857 986512514 /nfs/dbraw/zinc/51/25/14/986512514.db2.gz KNFRCOKSUYSQHP-UHFFFAOYSA-N -1 0 330.380 3.787 20 0 EHADRM C[C@H]1Cc2cccc(C(=O)Oc3ccc(C(=O)[O-])cc3Cl)c2O1 ZINC001594620793 986659003 /nfs/dbraw/zinc/65/90/03/986659003.db2.gz REDUXMIBLWCGJT-VIFPVBQESA-N -1 0 332.739 3.581 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000263535480 1125496765 /nfs/dbraw/zinc/49/67/65/1125496765.db2.gz YYYAZHPKYCFAJN-GDBMZVCRSA-N -1 0 339.391 3.804 20 0 EHADRM C[C@H](C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1)c1cccc(Cl)c1 ZINC001589423966 986685353 /nfs/dbraw/zinc/68/53/53/986685353.db2.gz YDMDISSBXCCAOL-GUYCJALGSA-N -1 0 345.826 3.646 20 0 EHADRM CCOc1ccc(CN(C)C(=O)Nc2ccc(C)cc2C(=O)[O-])cc1 ZINC001597100504 986706323 /nfs/dbraw/zinc/70/63/23/986706323.db2.gz NELRTQNGVIWYJE-UHFFFAOYSA-N -1 0 342.395 3.756 20 0 EHADRM C[C@H](C(=O)Nc1cc(C(=O)[O-])cnc1Cl)c1ccc(Cl)cc1 ZINC001589430825 986721341 /nfs/dbraw/zinc/72/13/41/986721341.db2.gz VNEBJOLNMSKRAT-QMMMGPOBSA-N -1 0 339.178 3.829 20 0 EHADRM CCOc1ccc(C[NH2+]Cc2cc(C(=O)[O-])ccc2Cl)cc1OC ZINC001597105832 986742553 /nfs/dbraw/zinc/74/25/53/986742553.db2.gz UDYYOKMWIRYEQZ-UHFFFAOYSA-N -1 0 349.814 3.735 20 0 EHADRM C[C@H](C(=O)Nc1ccc(F)cc1C(=O)[O-])c1cn(C)c2ccccc12 ZINC001589435220 986743838 /nfs/dbraw/zinc/74/38/38/986743838.db2.gz HAVVWAUQQKGNCT-NSHDSACASA-N -1 0 340.354 3.758 20 0 EHADRM C[C@H](C(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001589438720 986765009 /nfs/dbraw/zinc/76/50/09/986765009.db2.gz PDNRXSMHNOVZCR-NSHDSACASA-N -1 0 333.771 3.546 20 0 EHADRM CCOc1ccc(NC(=O)NC2(CC(=O)[O-])CCCCC2)c(F)c1 ZINC001597119702 986809185 /nfs/dbraw/zinc/80/91/85/986809185.db2.gz ZMQXTMMICNFYSK-UHFFFAOYSA-N -1 0 338.379 3.524 20 0 EHADRM CCOc1ccc(NC(=O)c2ccc(F)cc2C)c(C(=O)[O-])c1F ZINC001597122614 986818674 /nfs/dbraw/zinc/81/86/74/986818674.db2.gz JAJBYYNGERTDTC-UHFFFAOYSA-N -1 0 335.306 3.622 20 0 EHADRM CCOc1ccc(NC(=O)c2cccc(C)c2C)c(C(=O)[O-])c1F ZINC001597123759 986826928 /nfs/dbraw/zinc/82/69/28/986826928.db2.gz WUAFKQSJSWKOKY-UHFFFAOYSA-N -1 0 331.343 3.792 20 0 EHADRM C/C=C(/C=C\C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1)CC ZINC001594676988 987010466 /nfs/dbraw/zinc/01/04/66/987010466.db2.gz HFOSVQRRMPLRRU-OXIUUKIYSA-N -1 0 347.842 3.879 20 0 EHADRM C/C=C/C[C@@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])cnc2Cl)C1 ZINC001594685447 987053973 /nfs/dbraw/zinc/05/39/73/987053973.db2.gz BZHLEYSGYANRJL-KXMPLOMGSA-N -1 0 337.807 3.643 20 0 EHADRM C/C=C/C[C@@H]1CCCN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C1 ZINC001594686410 987065761 /nfs/dbraw/zinc/06/57/61/987065761.db2.gz VOUHGRLSYJVDJQ-KXMPLOMGSA-N -1 0 338.354 3.873 20 0 EHADRM C/C=C\c1ccc(OC(=O)c2cccc(CC(=O)[O-])c2)c(OC)c1 ZINC001594688729 987068857 /nfs/dbraw/zinc/06/88/57/987068857.db2.gz BKEUUPFCIDXOJO-HYXAFXHYSA-N -1 0 326.348 3.575 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)Cc2ccc3cnccc3c2)cc1 ZINC001589503995 987111700 /nfs/dbraw/zinc/11/17/00/987111700.db2.gz IWWIAQCERLZJSV-CYBMUJFWSA-N -1 0 334.375 3.604 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cc(Cl)cc(Cl)n2)cc1 ZINC001589521674 987168819 /nfs/dbraw/zinc/16/88/19/987168819.db2.gz RVGXUJULLUZZAM-MRVPVSSYSA-N -1 0 339.178 3.829 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cc3ccccc3cc2O)cc1 ZINC001589521911 987171669 /nfs/dbraw/zinc/17/16/69/987171669.db2.gz XASHRDUSVHAWDD-LBPRGKRZSA-N -1 0 335.359 3.986 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cnc3c(F)cccc3c2)cc1 ZINC001589522067 987173125 /nfs/dbraw/zinc/17/31/25/987173125.db2.gz ZCSQLMPSPKUPMN-NSHDSACASA-N -1 0 338.338 3.814 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2ccc3ncsc3c2)c1 ZINC001589531772 987206841 /nfs/dbraw/zinc/20/68/41/987206841.db2.gz JRSPOELJXOFVPD-JTQLQIEISA-N -1 0 326.377 3.737 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NCc2c(Cl)nc(Cl)n2C)c1 ZINC001589531964 987209096 /nfs/dbraw/zinc/20/90/96/987209096.db2.gz MGLXRSMKRXPNNM-QMMMGPOBSA-N -1 0 328.199 3.527 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)Cc2ccc(OC(F)F)cc2)c1 ZINC001589532172 987211605 /nfs/dbraw/zinc/21/16/05/987211605.db2.gz BSVFHQIYFHSATI-NSHDSACASA-N -1 0 349.333 3.657 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cnccc2C(F)(F)F)c1 ZINC001589532753 987218293 /nfs/dbraw/zinc/21/82/93/987218293.db2.gz VIPZSXHKYPCNMF-VIFPVBQESA-N -1 0 338.285 3.541 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2ccc(-c3cnn(C)c3)cc2)c1 ZINC001589533305 987225351 /nfs/dbraw/zinc/22/53/51/987225351.db2.gz ZWAWRBKAOGVNSC-ZDUSSCGKSA-N -1 0 349.390 3.528 20 0 EHADRM CC[C@H](C(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1)c1ccc(F)cc1 ZINC001594729090 987239042 /nfs/dbraw/zinc/23/90/42/987239042.db2.gz MQJACLDJMMTXGE-ROUUACIJSA-N -1 0 343.398 3.878 20 0 EHADRM C[C@H](C(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F)C(C)(F)F ZINC001589540629 987246031 /nfs/dbraw/zinc/24/60/31/987246031.db2.gz NEVTYZHTOKBVFC-XCBNKYQSSA-N -1 0 340.244 3.823 20 0 EHADRM CCS[C@H](C)c1noc(CNc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)n1 ZINC001597252213 987246150 /nfs/dbraw/zinc/24/61/50/987246150.db2.gz AGSMZFYNFKCROG-DDTOSNHZSA-N -1 0 347.440 3.684 20 0 EHADRM CC[C@H](C(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1)c1ccc(OC)cc1 ZINC001594734206 987259609 /nfs/dbraw/zinc/25/96/09/987259609.db2.gz PSMJSTXDZQZBNS-JXFKEZNVSA-N -1 0 347.455 3.729 20 0 EHADRM C[C@H](C(=O)OCc1ccc(F)cc1C(=O)[O-])c1ccc(F)c(F)c1 ZINC001589545783 987265901 /nfs/dbraw/zinc/26/59/01/987265901.db2.gz AOCXCMGYNDFBOJ-VIFPVBQESA-N -1 0 338.281 3.649 20 0 EHADRM CC(C(=O)Oc1ccc(Br)cc1C(=O)[O-])=C1CCC1 ZINC001589547381 987269832 /nfs/dbraw/zinc/26/98/32/987269832.db2.gz LUVWEJUUPUVBBB-UHFFFAOYSA-N -1 0 325.158 3.553 20 0 EHADRM CCS[C@H]1CCCC[C@@H]1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001597258673 987271017 /nfs/dbraw/zinc/27/10/17/987271017.db2.gz RJZSFUWLOMQSLF-KBPBESRZSA-N -1 0 327.490 3.592 20 0 EHADRM CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001597258833 987273936 /nfs/dbraw/zinc/27/39/36/987273936.db2.gz WNYPDRTTZCVINV-HUUCEWRRSA-N -1 0 336.457 3.879 20 0 EHADRM CCSc1ccc(CC(=O)OCc2cc(C(=O)[O-])oc2C)cc1 ZINC001597272310 987319884 /nfs/dbraw/zinc/31/98/84/987319884.db2.gz DCXRDEOHVHJTLF-UHFFFAOYSA-N -1 0 334.393 3.684 20 0 EHADRM CCSc1cccc(CNC(=O)Nc2cc(C)c(C(=O)[O-])cn2)c1 ZINC001597277313 987334145 /nfs/dbraw/zinc/33/41/45/987334145.db2.gz LPPIMOXKMLYWMV-UHFFFAOYSA-N -1 0 345.424 3.522 20 0 EHADRM CCSc1ccccc1CC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001597279845 987345423 /nfs/dbraw/zinc/34/54/23/987345423.db2.gz PRFJNKQHAXPRCC-UHFFFAOYSA-N -1 0 329.421 3.986 20 0 EHADRM CCSc1cccnc1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001597280169 987350367 /nfs/dbraw/zinc/35/03/67/987350367.db2.gz SASFBFRYTCSSMG-UHFFFAOYSA-N -1 0 336.800 3.798 20 0 EHADRM CC(C)(C(=O)Nc1cccc(C(=O)[O-])n1)c1ccc2ccccc2c1 ZINC001589576429 987354580 /nfs/dbraw/zinc/35/45/80/987354580.db2.gz MGSPKKIFHYRANX-UHFFFAOYSA-N -1 0 334.375 3.849 20 0 EHADRM CC[C@@H](NC(=O)NCCc1ccccc1C(=O)[O-])c1ccccc1F ZINC001597285855 987363222 /nfs/dbraw/zinc/36/32/22/987363222.db2.gz DHYWYPLUBYTHCL-QGZVFWFLSA-N -1 0 344.386 3.517 20 0 EHADRM CC(C)(C(=O)[O-])C(=O)COc1c(Cl)cc(Cl)c2cccnc21 ZINC001589588749 987386042 /nfs/dbraw/zinc/38/60/42/987386042.db2.gz HVJWAKCLCBFAPM-UHFFFAOYSA-N -1 0 342.178 3.600 20 0 EHADRM CC[C@@H](OC(=O)CCCn1ccc(C(=O)[O-])n1)c1ccc(C)c(F)c1 ZINC001597293064 987389457 /nfs/dbraw/zinc/38/94/57/987389457.db2.gz DPBGULXLHBJQJQ-MRXNPFEDSA-N -1 0 348.374 3.504 20 0 EHADRM CC[C@@H]1CC[C@H](C)N(C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)C1 ZINC001597296113 987393840 /nfs/dbraw/zinc/39/38/40/987393840.db2.gz ARSPQFUOPKXLFY-NWDGAFQWSA-N -1 0 329.400 3.909 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)N1CCC[C@H](C2CC2)C1)c1ccccc1 ZINC001589594668 987411397 /nfs/dbraw/zinc/41/13/97/987411397.db2.gz QOVDAVWNKHETQO-IRXDYDNUSA-N -1 0 344.455 3.670 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)N[C@H]1CCCC2(CC2)C1)c1ccccc1 ZINC001589594745 987412366 /nfs/dbraw/zinc/41/23/66/987412366.db2.gz RJOJJQOXZGYPBU-JKSUJKDBSA-N -1 0 344.455 3.861 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1ccc2c(c1)CCC2)c1ccccc1 ZINC001589598529 987418823 /nfs/dbraw/zinc/41/88/23/987418823.db2.gz JIVQPIJAEFALMV-GOSISDBHSA-N -1 0 337.419 3.757 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2ccc(F)c(Cl)c2F)C1 ZINC001589612219 987472094 /nfs/dbraw/zinc/47/20/94/987472094.db2.gz TUXZYUWVRZJPPW-VIFPVBQESA-N -1 0 345.773 3.581 20 0 EHADRM CCc1[nH]c(C(=O)N2CCC[C@@H](C3CCC3)CC2)c(C)c1C(=O)[O-] ZINC001597360833 987515643 /nfs/dbraw/zinc/51/56/43/987515643.db2.gz HANRWWXSJRYMAN-CQSZACIVSA-N -1 0 332.444 3.626 20 0 EHADRM CCc1[nH]c(C(=O)Nc2ccc(C(F)(F)F)cc2)c(C)c1C(=O)[O-] ZINC001597372621 987555510 /nfs/dbraw/zinc/55/55/10/987555510.db2.gz FXFLNBGGPOHGHB-UHFFFAOYSA-N -1 0 340.301 3.855 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC[C@H]2C[C@]2(C)Br)cc1 ZINC001589640656 987562340 /nfs/dbraw/zinc/56/23/40/987562340.db2.gz ASFNPRFORZAWNF-ABAIWWIYSA-N -1 0 326.234 3.634 20 0 EHADRM CCc1[nH]c(C(=O)Nc2cccc3c2CCCC3)c(C)c1C(=O)[O-] ZINC001597374539 987562735 /nfs/dbraw/zinc/56/27/35/987562735.db2.gz SQMBAVPIMORGHR-UHFFFAOYSA-N -1 0 326.396 3.715 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)C2(Cc3ccccc3)CC2)c1 ZINC001589642805 987567774 /nfs/dbraw/zinc/56/77/74/987567774.db2.gz DCHHQJRJVUTFTB-UHFFFAOYSA-N -1 0 338.403 3.977 20 0 EHADRM CCc1[nH]c(CN[C@H](CCc2ccccc2)C(F)F)cc1C(=O)[O-] ZINC001597392805 987628313 /nfs/dbraw/zinc/62/83/13/987628313.db2.gz XNWVZWCPNDOKJS-MRXNPFEDSA-N -1 0 336.382 3.631 20 0 EHADRM CCc1[nH]c(CNCc2coc(-c3ccc(C)cc3)n2)cc1C(=O)[O-] ZINC001597395292 987646125 /nfs/dbraw/zinc/64/61/25/987646125.db2.gz QRNYJGLIAVDWJO-UHFFFAOYSA-N -1 0 339.395 3.529 20 0 EHADRM CCc1c2ccccc2oc1C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001597402681 987673188 /nfs/dbraw/zinc/67/31/88/987673188.db2.gz RQDYYKRDTMOUIJ-OAHLLOKOSA-N -1 0 335.359 3.824 20 0 EHADRM CCc1c(NC(=O)C[C@@H](C)CC(=O)[O-])cnn1-c1ccc(Cl)cc1 ZINC001597416769 987721810 /nfs/dbraw/zinc/72/18/10/987721810.db2.gz UIHJCRDXQFRRAG-LLVKDONJSA-N -1 0 349.818 3.528 20 0 EHADRM CCc1c(NCc2ccoc2C(=O)[O-])cnn1-c1ccc(Cl)cc1 ZINC001597419502 987723298 /nfs/dbraw/zinc/72/32/98/987723298.db2.gz AHWNSTHJHVEKMN-UHFFFAOYSA-N -1 0 345.786 3.991 20 0 EHADRM CCc1cc(=O)oc2cc(OCc3ccc(C(=O)[O-])cc3F)ccc12 ZINC001597423383 987744147 /nfs/dbraw/zinc/74/41/47/987744147.db2.gz ADPCTZJIXJAUPW-UHFFFAOYSA-N -1 0 342.322 3.772 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)/C=C/c2cc(C(=O)[O-])co2)cc1 ZINC001589696748 987777298 /nfs/dbraw/zinc/77/72/98/987777298.db2.gz OPJSCCBNJUYAEQ-CMDGGOBGSA-N -1 0 341.363 3.859 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)/C(=C/c1ccccc1)C(F)(F)F ZINC001589700500 987792024 /nfs/dbraw/zinc/79/20/24/987792024.db2.gz MVWCWKYPHKNVFM-SUIFULHWSA-N -1 0 343.345 3.638 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)/C=C(\C)c1ccccc1OC ZINC001597449644 987834383 /nfs/dbraw/zinc/83/43/83/987834383.db2.gz HPIJITGPLTZWLJ-ACCUITESSA-N -1 0 339.391 3.998 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC001597449698 987834549 /nfs/dbraw/zinc/83/45/49/987834549.db2.gz IOFZXDANHWVFEV-OLZOCXBDSA-N -1 0 345.345 3.968 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H](CC)Oc1ccccc1F ZINC001597450293 987839785 /nfs/dbraw/zinc/83/97/85/987839785.db2.gz VBOAICXDOPBPMU-INIZCTEOSA-N -1 0 345.370 3.882 20 0 EHADRM CC(C)(C)[C@@H](NCc1ccc(C2(C(=O)[O-])CC2)cc1)C(F)(F)F ZINC001589716762 987861311 /nfs/dbraw/zinc/86/13/11/987861311.db2.gz HWLSGZFCEMYCLC-CYBMUJFWSA-N -1 0 329.362 3.869 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@H]1c2ccccc2O[C@H]1C ZINC001597456973 987868392 /nfs/dbraw/zinc/86/83/92/987868392.db2.gz GOBKKOJXCOFYJN-APPDUMDISA-N -1 0 340.379 3.591 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1c2ccccc2O[C@@H]1C ZINC001597456974 987868648 /nfs/dbraw/zinc/86/86/48/987868648.db2.gz GOBKKOJXCOFYJN-DIFFPNOSSA-N -1 0 340.379 3.591 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1ccc(C(=O)[O-])[nH]1)c1ccc(F)cc1F ZINC001589718435 987874666 /nfs/dbraw/zinc/87/46/66/987874666.db2.gz IYFNXDBLQHZCAF-AWEZNQCLSA-N -1 0 336.338 3.508 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCS[C@@H](C(C)C)C1 ZINC001597457537 987874594 /nfs/dbraw/zinc/87/45/94/987874594.db2.gz VNPMBKHYQQGROR-OAHLLOKOSA-N -1 0 336.457 3.553 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1ccc(C(=O)[O-])[nH]1)c1ccc(F)cc1F ZINC001589718436 987874791 /nfs/dbraw/zinc/87/47/91/987874791.db2.gz IYFNXDBLQHZCAF-CQSZACIVSA-N -1 0 336.338 3.508 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCc1ccc(OC)cc1C ZINC001597459991 987888627 /nfs/dbraw/zinc/88/86/27/987888627.db2.gz QOZDDBVKWZWQLY-UHFFFAOYSA-N -1 0 342.395 3.586 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1nn(-c2ccccc2)cc1C ZINC001597466244 987911649 /nfs/dbraw/zinc/91/16/49/987911649.db2.gz OMOFIMSMSAEVEG-UHFFFAOYSA-N -1 0 349.390 3.694 20 0 EHADRM CC(C)(C)C1CC(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)C1 ZINC001589727120 987920794 /nfs/dbraw/zinc/92/07/94/987920794.db2.gz XFHRUCXYKHBSID-MGULZYLOSA-N -1 0 341.810 3.793 20 0 EHADRM CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001589728182 987928008 /nfs/dbraw/zinc/92/80/08/987928008.db2.gz FVAWBFDDGYAWAB-SJORKVTESA-N -1 0 331.456 3.896 20 0 EHADRM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)NCCCCCCC(=O)[O-] ZINC001589728226 987928907 /nfs/dbraw/zinc/92/89/07/987928907.db2.gz GMQQYKBKAVVUNH-CABCVRRESA-N -1 0 326.481 3.926 20 0 EHADRM CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001589728213 987929081 /nfs/dbraw/zinc/92/90/81/987929081.db2.gz GHWDXVPPDPSDGT-CVEARBPZSA-N -1 0 348.443 3.876 20 0 EHADRM CSC1CCC(CNC(=O)Nc2cc(C(=O)[O-])ccc2F)CC1 ZINC001599787136 987942164 /nfs/dbraw/zinc/94/21/64/987942164.db2.gz ZWGSWLIWRAXRAZ-UHFFFAOYSA-N -1 0 340.420 3.567 20 0 EHADRM CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001589729347 987943529 /nfs/dbraw/zinc/94/35/29/987943529.db2.gz XLYWVJJTMLYYMQ-TZMCWYRMSA-N -1 0 344.415 3.597 20 0 EHADRM CS[C@H]1CC[C@@H](N(C)C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC001599787783 987952927 /nfs/dbraw/zinc/95/29/27/987952927.db2.gz HWWDVPKNYTUSNR-MNOVXSKESA-N -1 0 342.848 3.786 20 0 EHADRM CC(C)(C)[C@@H]1CSCCN1C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001589734955 987983108 /nfs/dbraw/zinc/98/31/08/987983108.db2.gz LZAASOBLZQGKJS-ZDUSSCGKSA-N -1 0 341.860 3.642 20 0 EHADRM CC(C)(C)[C@H]1CN(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)c2ccccc21 ZINC001589735302 987984314 /nfs/dbraw/zinc/98/43/14/987984314.db2.gz QQPFSUIKFIZPBJ-VVILHGPQSA-N -1 0 342.439 3.599 20 0 EHADRM CCc1cc2c(ccn(Cc3ccc(C(=O)[O-])c(F)c3)c2=O)s1 ZINC001597488610 988000188 /nfs/dbraw/zinc/00/01/88/988000188.db2.gz JDODQDCKFKSMGZ-UHFFFAOYSA-N -1 0 331.368 3.511 20 0 EHADRM CC(C)(C)[C@@H]1Cc2ccccc2N(C(=O)c2ccc(C(=O)[O-])o2)C1 ZINC001589738083 988000637 /nfs/dbraw/zinc/00/06/37/988000637.db2.gz HEMJJPDYXZVMPW-CYBMUJFWSA-N -1 0 327.380 3.843 20 0 EHADRM CC(C)(C)[C@H]1Cc2ccccc2N(C(=O)c2ccc(C(=O)[O-])o2)C1 ZINC001589738084 988000856 /nfs/dbraw/zinc/00/08/56/988000856.db2.gz HEMJJPDYXZVMPW-ZDUSSCGKSA-N -1 0 327.380 3.843 20 0 EHADRM CCc1cc2c(ccn(Cc3ccc(C)c(C(=O)[O-])c3)c2=O)s1 ZINC001597488991 988004610 /nfs/dbraw/zinc/00/46/10/988004610.db2.gz SCKZILSOXGPFBF-UHFFFAOYSA-N -1 0 327.405 3.680 20 0 EHADRM CCc1ccc(-c2cc(C(=O)N[C@H](C[C@H](C)CC)C(=O)[O-])no2)cc1 ZINC001597489974 988015566 /nfs/dbraw/zinc/01/55/66/988015566.db2.gz WTAQJRQMKOOTQW-MLGOLLRUSA-N -1 0 344.411 3.523 20 0 EHADRM CC(C)(C)CC(C)(C)NS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001589742044 988016884 /nfs/dbraw/zinc/01/68/84/988016884.db2.gz KCMCTXDBMJDWCU-UHFFFAOYSA-N -1 0 347.864 3.531 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)CCCc1ccccc1Cl)C(=O)[O-] ZINC001589743260 988023194 /nfs/dbraw/zinc/02/31/94/988023194.db2.gz IUYJFDNLBBHIGR-AWEZNQCLSA-N -1 0 325.836 3.668 20 0 EHADRM CCc1ccc(-c2cc(C(=O)Nc3cc(C(=O)[O-])cs3)no2)cc1 ZINC001597492147 988024418 /nfs/dbraw/zinc/02/44/18/988024418.db2.gz LFIQGHOLIYXPKG-UHFFFAOYSA-N -1 0 342.376 3.916 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)c1ccc(OC2CCCC2)cc1)C(=O)[O-] ZINC001589751114 988048878 /nfs/dbraw/zinc/04/88/78/988048878.db2.gz IQOHTOILTKYDGM-MRXNPFEDSA-N -1 0 333.428 3.627 20 0 EHADRM CC(C)(C)C[C@H](NC(=S)NCCCC(=O)[O-])c1ccc(F)cc1 ZINC001589752248 988061924 /nfs/dbraw/zinc/06/19/24/988061924.db2.gz SHKGRTXKUDZXOE-AWEZNQCLSA-N -1 0 340.464 3.632 20 0 EHADRM CC(C)(C)C[C@@H](Sc1nc(-c2ccccc2)cc(=O)[nH]1)C(=O)[O-] ZINC001589761789 988091102 /nfs/dbraw/zinc/09/11/02/988091102.db2.gz LEBDIZBOOADFGO-CYBMUJFWSA-N -1 0 332.425 3.831 20 0 EHADRM CCc1ccc([C@@H](COC)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)o1 ZINC001597513448 988110141 /nfs/dbraw/zinc/11/01/41/988110141.db2.gz UXUHTXISBATUEO-ZBFHGGJFSA-N -1 0 337.803 3.598 20 0 EHADRM CCc1ccc([C@H](COC)N[C@H]2CCCc3ccc(C(=O)[O-])cc32)o1 ZINC001597513615 988114302 /nfs/dbraw/zinc/11/43/02/988114302.db2.gz YNCVOXDFCKHJRP-ROUUACIJSA-N -1 0 343.423 3.895 20 0 EHADRM CC(C)(C)CCCNC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001589774088 988131631 /nfs/dbraw/zinc/13/16/31/988131631.db2.gz FCPRXDJHUQZWRY-UHFFFAOYSA-N -1 0 342.233 3.703 20 0 EHADRM CC(C)(C)N(Cc1ccc(F)cc1)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001589795525 988190191 /nfs/dbraw/zinc/19/01/91/988190191.db2.gz FILDNZLHGILOPK-GJZGRUSLSA-N -1 0 335.419 3.844 20 0 EHADRM CSCc1cccc(-c2noc(Cc3cccc(C(=O)[O-])c3)n2)c1 ZINC001599802955 988207542 /nfs/dbraw/zinc/20/75/42/988207542.db2.gz BYQIZUURRHHMOG-UHFFFAOYSA-N -1 0 340.404 3.889 20 0 EHADRM CS[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001599803535 988217509 /nfs/dbraw/zinc/21/75/09/988217509.db2.gz JNKDWWAQLDVLBZ-ZJIFWQFVSA-N -1 0 348.468 3.670 20 0 EHADRM CCc1ccc(NC(=O)CCc2ccc(C(=O)[O-])cc2)cc1OC ZINC001597542435 988230795 /nfs/dbraw/zinc/23/07/95/988230795.db2.gz BPPZURBNBCMAJC-UHFFFAOYSA-N -1 0 327.380 3.527 20 0 EHADRM CCc1ccc(NCc2cnc3c(cnn3C(C)C)c2)c(C(=O)[O-])c1 ZINC001597551061 988271083 /nfs/dbraw/zinc/27/10/83/988271083.db2.gz AEOFFADFODWAKA-UHFFFAOYSA-N -1 0 338.411 3.885 20 0 EHADRM CSc1cc(C(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])co1 ZINC001599807036 988272910 /nfs/dbraw/zinc/27/29/10/988272910.db2.gz DQQFHQYNLAPCEN-UHFFFAOYSA-N -1 0 325.773 3.914 20 0 EHADRM CC(C)(C)NC(=O)c1cccc(NCc2ccsc2C(=O)[O-])c1 ZINC001589830562 988300854 /nfs/dbraw/zinc/30/08/54/988300854.db2.gz UBEAWAMLZFNUFU-UHFFFAOYSA-N -1 0 332.425 3.587 20 0 EHADRM CSc1ccc(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)o1 ZINC001599810362 988323959 /nfs/dbraw/zinc/32/39/59/988323959.db2.gz RZDFQLXNWRQNMS-UHFFFAOYSA-N -1 0 329.736 3.745 20 0 EHADRM CCc1ccc2occ(C(=O)NCc3ccccc3CC(=O)[O-])c2c1 ZINC001597570453 988343639 /nfs/dbraw/zinc/34/36/39/988343639.db2.gz JZZRBGODZFBOAP-UHFFFAOYSA-N -1 0 337.375 3.552 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)CO[C@@H]1CCCC[C@H]1CC ZINC001597572928 988355244 /nfs/dbraw/zinc/35/52/44/988355244.db2.gz OXSWUAWQKYHXIC-CZUORRHYSA-N -1 0 333.428 3.871 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)CCCCC(=O)OC(C)(C)C ZINC001597573027 988357152 /nfs/dbraw/zinc/35/71/52/988357152.db2.gz QNVFILSHYIEZIT-UHFFFAOYSA-N -1 0 349.427 3.788 20 0 EHADRM CSc1ccc(/C=C2\C(=O)Nc3cc(F)c(C(=O)[O-])cc32)cc1 ZINC001599812577 988363642 /nfs/dbraw/zinc/36/36/42/988363642.db2.gz NOZRESJYDSUPCF-SDQBBNPISA-N -1 0 329.352 3.739 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)[C@@H]1CCC(=O)c2ccccc21 ZINC001597576507 988365350 /nfs/dbraw/zinc/36/53/50/988365350.db2.gz MQXVKHUXOGHUON-OAHLLOKOSA-N -1 0 337.375 3.646 20 0 EHADRM CSc1ccc(NC(=O)c2ccc3cc[nH]c3c2)cc1C(=O)[O-] ZINC001599817353 988449684 /nfs/dbraw/zinc/44/96/84/988449684.db2.gz KOPIOXMMIRDTBX-UHFFFAOYSA-N -1 0 326.377 3.840 20 0 EHADRM CSc1ccc(NC(=O)c2coc(C(C)(C)C)n2)cc1C(=O)[O-] ZINC001599820704 988508932 /nfs/dbraw/zinc/50/89/32/988508932.db2.gz JMVXLDBEOAOJPW-UHFFFAOYSA-N -1 0 334.397 3.645 20 0 EHADRM CCc1ccccc1NC(=O)[C@H](C)Oc1ccc(C(=O)[O-])c(C)c1 ZINC001597611572 988510387 /nfs/dbraw/zinc/51/03/87/988510387.db2.gz PNNMVOFJYRLSTM-ZDUSSCGKSA-N -1 0 327.380 3.662 20 0 EHADRM CSc1cccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)c1 ZINC001599822762 988543020 /nfs/dbraw/zinc/54/30/20/988543020.db2.gz WBGJIXJLCISCTD-PMPSAXMXSA-N -1 0 333.453 3.514 20 0 EHADRM CSc1cccc(C)c1NC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001599824185 988567717 /nfs/dbraw/zinc/56/77/17/988567717.db2.gz QZUOESRJWXRZHL-DYVFJYSZSA-N -1 0 334.441 3.578 20 0 EHADRM CSc1cccc(F)c1C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC001599824449 988573134 /nfs/dbraw/zinc/57/31/34/988573134.db2.gz XYDPZLMPULVZSV-UHFFFAOYSA-N -1 0 338.331 3.742 20 0 EHADRM CCc1ccsc1C(=O)Nc1cccnc1SCCC(=O)[O-] ZINC001597625734 988573870 /nfs/dbraw/zinc/57/38/70/988573870.db2.gz FXJIGNZZRYLZPH-UHFFFAOYSA-N -1 0 336.438 3.525 20 0 EHADRM CSc1ccccc1NC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001599825141 988586077 /nfs/dbraw/zinc/58/60/77/988586077.db2.gz JNXCDMMFDWPZNI-SCLBCKFNSA-N -1 0 327.405 3.606 20 0 EHADRM CSc1ccccc1[C@@H](C)NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC001599826381 988604380 /nfs/dbraw/zinc/60/43/80/988604380.db2.gz MOBPOOSBPVNWIW-GFCCVEGCSA-N -1 0 329.421 3.527 20 0 EHADRM CCc1nc([C@H](C)N[C@H](C)c2ccccc2OCC(=O)[O-])cs1 ZINC001597657132 988714990 /nfs/dbraw/zinc/71/49/90/988714990.db2.gz XCVLDNMTIGIBJH-NEPJUHHUSA-N -1 0 334.441 3.581 20 0 EHADRM CCc1nc(C)cc(N[C@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])n1 ZINC001597661759 988732943 /nfs/dbraw/zinc/73/29/43/988732943.db2.gz UZFXKSBBLUDATL-NVXWUHKLSA-N -1 0 339.439 3.723 20 0 EHADRM CCc1nc(NC(=O)CCc2cc(Cl)cs2)sc1C(=O)[O-] ZINC001597678696 988800263 /nfs/dbraw/zinc/80/02/63/988800263.db2.gz UZQPFNNSBVXNIP-UHFFFAOYSA-N -1 0 344.845 3.690 20 0 EHADRM CCc1nc(NC(=O)c2cc(F)c(F)cc2Cl)sc1C(=O)[O-] ZINC001597681487 988814191 /nfs/dbraw/zinc/81/41/91/988814191.db2.gz DFEHGUZSZNYFOV-UHFFFAOYSA-N -1 0 346.742 3.588 20 0 EHADRM CCc1nc(NC(=O)c2[nH]c3ccc(C)cc3c2C)sc1C(=O)[O-] ZINC001597682137 988818752 /nfs/dbraw/zinc/81/87/52/988818752.db2.gz QRHJVQUMLZXDQV-UHFFFAOYSA-N -1 0 343.408 3.754 20 0 EHADRM CCc1nc(NC(=O)c2cccc3c(C)c(C)[nH]c32)sc1C(=O)[O-] ZINC001597684934 988823938 /nfs/dbraw/zinc/82/39/38/988823938.db2.gz DKWIRGOETCVFTF-UHFFFAOYSA-N -1 0 343.408 3.754 20 0 EHADRM C[C@@H](NCc1nc(C(=O)[O-])cs1)c1ccc(Cl)c(Cl)c1 ZINC001599841738 988849566 /nfs/dbraw/zinc/84/95/66/988849566.db2.gz HMWKNPGNTXVXEA-SSDOTTSWSA-N -1 0 331.224 3.999 20 0 EHADRM CCc1nc2ccccc2c(SCc2nc(C(=O)[O-])cs2)n1 ZINC001597690093 988864099 /nfs/dbraw/zinc/86/40/99/988864099.db2.gz QVIMEVMSJXTNJV-UHFFFAOYSA-N -1 0 331.422 3.639 20 0 EHADRM CCc1nc2c(s1)[C@@H](N[C@@H](C)c1ncc(C(=O)[O-])s1)CCC2 ZINC001597690608 988871779 /nfs/dbraw/zinc/87/17/79/988871779.db2.gz JAUMZMPCYUZMOD-IUCAKERBSA-N -1 0 337.470 3.588 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CSc1nc2cc(F)c(F)cc2[nH]1 ZINC001597772142 989235000 /nfs/dbraw/zinc/23/50/00/989235000.db2.gz JQJIHHBTMAPWGV-UHFFFAOYSA-N -1 0 338.335 3.987 20 0 EHADRM CCn1cc(Cl)cc1C(=O)N1CCCc2ccc(C)c(C(=O)[O-])c21 ZINC001597894229 989753397 /nfs/dbraw/zinc/75/33/97/989753397.db2.gz VQCZLLYPBJXHMN-UHFFFAOYSA-N -1 0 346.814 3.761 20 0 EHADRM CC(C)(C)OCCCCOc1cn(-c2ccccc2)nc1C(=O)[O-] ZINC001590382283 989898899 /nfs/dbraw/zinc/89/88/99/989898899.db2.gz NZRIVNKEBIDPQN-UHFFFAOYSA-N -1 0 332.400 3.545 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)N2CCC[C@](C)(C(=O)[O-])C2)c1 ZINC001590398773 989931392 /nfs/dbraw/zinc/93/13/92/989931392.db2.gz MXIOQJVEDPGCKI-IBGZPJMESA-N -1 0 348.443 3.720 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)Nc2cccc(F)c2C(=O)[O-])cc1 ZINC001590408728 989943356 /nfs/dbraw/zinc/94/33/56/989943356.db2.gz DMHFUEOMDQNHHR-UHFFFAOYSA-N -1 0 331.343 3.954 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC001590409287 989945226 /nfs/dbraw/zinc/94/52/26/989945226.db2.gz IARZKNVQJAWVFA-CQSZACIVSA-N -1 0 334.393 3.908 20 0 EHADRM CC(C)(C)Oc1ccc(-c2noc([C@H]3CCC[C@H](C(=O)[O-])C3)n2)nc1 ZINC001590410376 989951956 /nfs/dbraw/zinc/95/19/56/989951956.db2.gz UTACEEHHJJQOLK-RYUDHWBXSA-N -1 0 345.399 3.667 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)c1 ZINC001590416243 989955031 /nfs/dbraw/zinc/95/50/31/989955031.db2.gz IOSBXLNUDMLKCX-KRWDZBQOSA-N -1 0 347.455 3.875 20 0 EHADRM CC(C)(C)c1ccc(-c2csc(NC(=O)C3(C(=O)[O-])CC3)n2)cc1 ZINC001590472365 990043469 /nfs/dbraw/zinc/04/34/69/990043469.db2.gz NHYFTFFPLFQGDJ-UHFFFAOYSA-N -1 0 344.436 3.911 20 0 EHADRM CN(C(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2)c1ncc(C(=O)[O-])s1 ZINC001597995875 990101453 /nfs/dbraw/zinc/10/14/53/990101453.db2.gz DTSUFRZTDMPTAT-YVBDQSFBSA-N -1 0 348.468 3.801 20 0 EHADRM CN(C(=O)C12CCC(C(=O)[O-])(CC1)CC2)[C@@H]1CCCc2ccccc21 ZINC001597996179 990102475 /nfs/dbraw/zinc/10/24/75/990102475.db2.gz IBWNYRNGVNPGAI-MDMXATFFSA-N -1 0 341.451 3.948 20 0 EHADRM CN(C(=O)C1(Cc2ccc(Cl)cc2)CC1)C1(C(=O)[O-])CCCC1 ZINC001597997550 990112389 /nfs/dbraw/zinc/11/23/89/990112389.db2.gz WCKLIILQUYERQK-UHFFFAOYSA-N -1 0 335.831 3.519 20 0 EHADRM CN(C(=O)[C@H]1CC1(C)C)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001597997825 990116135 /nfs/dbraw/zinc/11/61/35/990116135.db2.gz SDTFZMGLVKHDNE-BXKDBHETSA-N -1 0 330.211 3.624 20 0 EHADRM CC(C)(C)c1csc(/C(=C/c2cccc3c2OCO3)C(=O)[O-])n1 ZINC001590527089 990140589 /nfs/dbraw/zinc/14/05/89/990140589.db2.gz RQRGEAJERNGATJ-XFFZJAGNSA-N -1 0 331.393 3.795 20 0 EHADRM CC(C)(C)c1ncc(/C=C\C(=O)Nc2ccc(F)cc2C(=O)[O-])s1 ZINC001590556641 990198792 /nfs/dbraw/zinc/19/87/92/990198792.db2.gz ZGYWEDRVTXTJRR-ALCCZGGFSA-N -1 0 348.399 3.930 20 0 EHADRM CC(C)(CC(=O)NCc1ccccc1CC(=O)[O-])C1CCCCC1 ZINC001590621842 990304103 /nfs/dbraw/zinc/30/41/03/990304103.db2.gz PREXSBNEPXQKOR-UHFFFAOYSA-N -1 0 331.456 3.927 20 0 EHADRM CC(C)(CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)C(F)(F)F ZINC001590624876 990305940 /nfs/dbraw/zinc/30/59/40/990305940.db2.gz BFFOYYLWXHOZHM-UHFFFAOYSA-N -1 0 335.347 3.852 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Oc1ccc(Br)c(Cl)c1 ZINC001590637788 990329164 /nfs/dbraw/zinc/32/91/64/990329164.db2.gz YLSYDHVSGRZBTD-UHFFFAOYSA-N -1 0 349.608 3.899 20 0 EHADRM CN(C(=O)Nc1cccc(OCC(=O)[O-])c1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC001598061856 990335390 /nfs/dbraw/zinc/33/53/90/990335390.db2.gz OMGWXECSMMJALW-HOTGVXAUSA-N -1 0 348.443 3.829 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)CCCCc1ccc(Cl)cc1 ZINC001590657956 990357476 /nfs/dbraw/zinc/35/74/76/990357476.db2.gz LXOYFJPZEYLBCE-UHFFFAOYSA-N -1 0 325.836 3.812 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])o1)c1nc2cc(Cl)ccc2s1 ZINC001598082806 990403239 /nfs/dbraw/zinc/40/32/39/990403239.db2.gz ITKSEVOCIHFVCO-UHFFFAOYSA-N -1 0 336.756 3.518 20 0 EHADRM CN(C(=O)c1coc(C2CCCCC2)n1)C1(C(=O)[O-])CCCCC1 ZINC001598097782 990458035 /nfs/dbraw/zinc/45/80/35/990458035.db2.gz JVXLMGGBOGRSAT-UHFFFAOYSA-N -1 0 334.416 3.582 20 0 EHADRM CC(C)(CNC(=O)NCCCCC1(C(=O)[O-])CCC1)c1ccccc1 ZINC001590723097 990501875 /nfs/dbraw/zinc/50/18/75/990501875.db2.gz JPQZIZAUHMEQAS-UHFFFAOYSA-N -1 0 346.471 3.689 20 0 EHADRM CC(C)(CNc1nc(Cl)c(C(F)(F)F)cc1Cl)C(=O)[O-] ZINC001590779847 990589602 /nfs/dbraw/zinc/58/96/02/990589602.db2.gz BUOGENBNYNFZRJ-UHFFFAOYSA-N -1 0 331.121 3.930 20 0 EHADRM CC(C)(Cc1ccc(C(F)(F)F)cc1)Nc1cncc(C(=O)[O-])n1 ZINC001590822001 990661340 /nfs/dbraw/zinc/66/13/40/990661340.db2.gz OPFIWOOVTHPXKR-UHFFFAOYSA-N -1 0 339.317 3.627 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)C1(C)C ZINC001590914528 990898724 /nfs/dbraw/zinc/89/87/24/990898724.db2.gz JDRVFGXKHDYVHO-BRWVUGGUSA-N -1 0 329.440 3.784 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(O[C@@H](C)C(=O)[O-])c(F)c2)C1(C)C ZINC001590915108 990902014 /nfs/dbraw/zinc/90/20/14/990902014.db2.gz PKSMPWWLWSBLME-GHJWDPDVSA-N -1 0 349.402 3.855 20 0 EHADRM COc1cccc2c(CNC(C)(C)c3cc(C(=O)[O-])on3)cccc12 ZINC001599689973 991052786 /nfs/dbraw/zinc/05/27/86/991052786.db2.gz XSTCPLYAXWDQMO-UHFFFAOYSA-N -1 0 340.379 3.560 20 0 EHADRM COc1cccc2c1CC[C@@H](Nc1ccc([C@@H]3C[C@H]3C(=O)[O-])cc1)C2 ZINC001599690524 991061837 /nfs/dbraw/zinc/06/18/37/991061837.db2.gz ZMYYQXLOSRESTK-NZSAHSFTSA-N -1 0 337.419 3.853 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001590967634 991082653 /nfs/dbraw/zinc/08/26/53/991082653.db2.gz CAXMGPFCRJOOCV-LJQANCHMSA-N -1 0 328.412 3.567 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)NC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001590967668 991083565 /nfs/dbraw/zinc/08/35/65/991083565.db2.gz DCSPNWCRSIXYPC-GDCKJWNLSA-N -1 0 341.407 3.765 20 0 EHADRM COc1cccc2cc(C(=O)OC3CCC(CC(=O)[O-])CC3)oc21 ZINC001599692216 991088046 /nfs/dbraw/zinc/08/80/46/991088046.db2.gz LIMHNWFTFIUPRV-UHFFFAOYSA-N -1 0 332.352 3.632 20 0 EHADRM CC(C)[C@H](C)N(c1ccccc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001590974361 991108640 /nfs/dbraw/zinc/10/86/40/991108640.db2.gz IPLDNOCDVHLMQT-AWEZNQCLSA-N -1 0 347.436 3.625 20 0 EHADRM CC(C)[C@@H](CC(F)(F)F)NC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001590975736 991119973 /nfs/dbraw/zinc/11/99/73/991119973.db2.gz HECLCBFJMSAYIE-LLVKDONJSA-N -1 0 336.285 3.622 20 0 EHADRM CC(C)[C@@H](CCc1ccccc1)C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001590981136 991138382 /nfs/dbraw/zinc/13/83/82/991138382.db2.gz PTDYWWZGRDSZOZ-OPYAIIAOSA-N -1 0 343.467 3.747 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)Nc1cccc(C(=O)[O-])c1C ZINC001599696563 991157392 /nfs/dbraw/zinc/15/73/92/991157392.db2.gz BYYORNZJVUWWKH-UHFFFAOYSA-N -1 0 327.380 3.618 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)c1cc2sccc2s1 ZINC001598300607 991246373 /nfs/dbraw/zinc/24/63/73/991246373.db2.gz SPLZADIGOUKMDQ-UHFFFAOYSA-N -1 0 346.433 3.979 20 0 EHADRM CN(C)c1cc(NC(=O)CC2(CC(=O)[O-])CCCC2)ccc1Cl ZINC001598307265 991269682 /nfs/dbraw/zinc/26/96/82/991269682.db2.gz LMALQSNIAUAXRO-UHFFFAOYSA-N -1 0 338.835 3.770 20 0 EHADRM COc1ccccc1NC(=O)[C@H](C)SCc1cc(C(=O)[O-])c(C)o1 ZINC001599714826 991435477 /nfs/dbraw/zinc/43/54/77/991435477.db2.gz IZLNGWZDKVGGJO-NSHDSACASA-N -1 0 349.408 3.555 20 0 EHADRM CC(C)[C@@H]1CCC[C@@](NC(=O)CCCC(=O)[O-])(C(F)(F)F)CC1 ZINC001591082490 991598366 /nfs/dbraw/zinc/59/83/66/991598366.db2.gz SKWQBSLBIUMZIR-DOMZBBRYSA-N -1 0 337.382 3.895 20 0 EHADRM CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001591093263 991655770 /nfs/dbraw/zinc/65/57/70/991655770.db2.gz NGUDQUAYMCXKPW-SJLPKXTDSA-N -1 0 348.443 3.684 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2F)c2ccccc21 ZINC001591093599 991660306 /nfs/dbraw/zinc/66/03/06/991660306.db2.gz WHNCBKANJMBIJW-HNNXBMFYSA-N -1 0 327.355 3.924 20 0 EHADRM CC(C)[C@H]1CCN1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001591094013 991666760 /nfs/dbraw/zinc/66/67/60/991666760.db2.gz FCXWXSNTOAPDDA-OAHLLOKOSA-N -1 0 336.457 3.657 20 0 EHADRM CC(C)[C@H]1CCc2ccccc2N1C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001591094023 991667006 /nfs/dbraw/zinc/66/70/06/991667006.db2.gz FFXCVDHKTFTPSO-HMWXGYMHSA-N -1 0 339.391 3.995 20 0 EHADRM CC(C)[C@H]1CCc2ccccc2N1C(=O)Cc1ccccc1C(=O)[O-] ZINC001591094369 991671584 /nfs/dbraw/zinc/67/15/84/991671584.db2.gz JUQLJQCXFCVJQZ-GOSISDBHSA-N -1 0 337.419 3.931 20 0 EHADRM CN(CC(=O)Nc1ccsc1C(=O)[O-])c1cccc2ccccc21 ZINC001598399104 991680997 /nfs/dbraw/zinc/68/09/97/991680997.db2.gz ALHCTGSEHOKBRV-UHFFFAOYSA-N -1 0 340.404 3.674 20 0 EHADRM CC(C)[C@@H]1N(C(=O)NCCCCCCCC(=O)[O-])CC12CC=CC2 ZINC001591100270 991722453 /nfs/dbraw/zinc/72/24/53/991722453.db2.gz XCLBGTDIGDHFOJ-KRWDZBQOSA-N -1 0 336.476 3.798 20 0 EHADRM CC(C)[C@@H]1N(C(=O)Cc2ccc(C(=O)[O-])cc2)CC12CCCCC2 ZINC001591100437 991724617 /nfs/dbraw/zinc/72/46/17/991724617.db2.gz YNZDNNSXZBPSIN-SFHVURJKSA-N -1 0 329.440 3.745 20 0 EHADRM CC(C)[C@@H]1c2ccccc2CCN1C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001591104570 991729174 /nfs/dbraw/zinc/72/91/74/991729174.db2.gz HSHROEPMXBSEKU-QULHZPMSSA-N -1 0 339.391 3.773 20 0 EHADRM COc1nccc(CNc2cc3ccccc3c(C(=O)[O-])c2)c1F ZINC001599736218 991779406 /nfs/dbraw/zinc/77/94/06/991779406.db2.gz WUWIEYNJSJBGBP-UHFFFAOYSA-N -1 0 326.327 3.693 20 0 EHADRM CN(CC(F)(F)C(F)(F)F)[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001598429901 991788177 /nfs/dbraw/zinc/78/81/77/991788177.db2.gz QNXSIYXAWOZNDN-SECBINFHSA-N -1 0 349.658 3.734 20 0 EHADRM CC(C)CC(C)(C)CNC(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001591124725 991818817 /nfs/dbraw/zinc/81/88/17/991818817.db2.gz ZMTJGAUKWUASMY-UHFFFAOYSA-N -1 0 326.481 3.783 20 0 EHADRM COc1nsc(CNc2cccc([C@@H](C)C(=O)[O-])c2)c1Cl ZINC001599741682 991867975 /nfs/dbraw/zinc/86/79/75/991867975.db2.gz LMSMIIRVZHGVKE-MRVPVSSYSA-N -1 0 326.805 3.605 20 0 EHADRM CC(C)C[C@@H](CNC(=O)CCCc1ccc2c(c1)CCCC2)C(=O)[O-] ZINC001591149290 991889775 /nfs/dbraw/zinc/88/97/75/991889775.db2.gz SWDPDVWFEGWXKN-IBGZPJMESA-N -1 0 345.483 3.751 20 0 EHADRM CC(C)C[C@@H](CNC(=O)c1cc2c(cccc2C2CC2)[nH]1)C(=O)[O-] ZINC001591153609 991897586 /nfs/dbraw/zinc/89/75/86/991897586.db2.gz HKDKHDMWWSFFHO-ZDUSSCGKSA-N -1 0 328.412 3.522 20 0 EHADRM COc1sc(/C=C(/C(=O)[O-])c2ccncc2)cc1Br ZINC001599743756 991900407 /nfs/dbraw/zinc/90/04/07/991900407.db2.gz VKTGJPODXQOZRC-UXBLZVDNSA-N -1 0 340.198 3.539 20 0 EHADRM CC(C)CC1(CNC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)CCC1 ZINC001591197217 992016350 /nfs/dbraw/zinc/01/63/50/992016350.db2.gz VNBBCTREDYSUQN-UHFFFAOYSA-N -1 0 332.444 3.743 20 0 EHADRM CC(C)CCCC(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001591229207 992109752 /nfs/dbraw/zinc/10/97/52/992109752.db2.gz NTOKJAWVVQUHPG-UHFFFAOYSA-N -1 0 328.206 3.912 20 0 EHADRM CC(C)CN(C(=O)[C@H]1CC[C@H]1C(=O)[O-])[C@@H](C)c1ccccc1Cl ZINC001591280071 992206360 /nfs/dbraw/zinc/20/63/60/992206360.db2.gz BKFAZZXMNWNNFJ-AEGPPILISA-N -1 0 337.847 3.996 20 0 EHADRM CC(C)CN(C(=O)CCc1nc2ccccc2s1)C(C)(C)C(=O)[O-] ZINC001591280296 992206709 /nfs/dbraw/zinc/20/67/09/992206709.db2.gz FDAPRCAZSIALMC-UHFFFAOYSA-N -1 0 348.468 3.577 20 0 EHADRM CC(C)CN(C(=O)c1cc(C(=O)[O-])ccn1)c1ccc(Cl)cc1 ZINC001591280747 992209763 /nfs/dbraw/zinc/20/97/63/992209763.db2.gz OPRAZGHOSMPOJB-UHFFFAOYSA-N -1 0 332.787 3.736 20 0 EHADRM CC(C)COc1cccc(NC(=O)c2ccsc2CC(=O)[O-])c1 ZINC001591402090 992481188 /nfs/dbraw/zinc/48/11/88/992481188.db2.gz QRZASAAARARUHB-UHFFFAOYSA-N -1 0 333.409 3.662 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cscc1C(F)(F)F ZINC001598513042 992583716 /nfs/dbraw/zinc/58/37/16/992583716.db2.gz KCQKIKZMRAOHBB-UHFFFAOYSA-N -1 0 343.326 3.737 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)N2CCC(CC(=O)[O-])CC2)c1 ZINC001591488188 992614926 /nfs/dbraw/zinc/61/49/26/992614926.db2.gz AENHHYCERKRRJR-HNNXBMFYSA-N -1 0 331.456 3.702 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)N[C@@H](C(=O)[O-])c2cccs2)cc1 ZINC001591488959 992617871 /nfs/dbraw/zinc/61/78/71/992617871.db2.gz LLCAIOROMSRUQK-SUMWQHHRSA-N -1 0 345.464 3.992 20 0 EHADRM CC(C)Cc1ccccc1COC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001591490564 992622513 /nfs/dbraw/zinc/62/25/13/992622513.db2.gz AMRJYICTBDCDSA-UHFFFAOYSA-N -1 0 326.392 3.869 20 0 EHADRM CN(Cc1ccc(F)cn1)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598519006 992655690 /nfs/dbraw/zinc/65/56/90/992655690.db2.gz CJOBWDVWAMZRGL-AWEZNQCLSA-N -1 0 343.185 3.785 20 0 EHADRM CC(C)Cn1ccc2c1cccc2C(=O)N(C)C1(C(=O)[O-])CCCC1 ZINC001591521619 992691556 /nfs/dbraw/zinc/69/15/56/992691556.db2.gz MOYPFGRJEUOSTI-UHFFFAOYSA-N -1 0 342.439 3.767 20 0 EHADRM CN(Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)OCc1ccccc1 ZINC001598534397 992833508 /nfs/dbraw/zinc/83/35/08/992833508.db2.gz WUKIQAJAVMOAQT-UHFFFAOYSA-N -1 0 338.363 3.603 20 0 EHADRM CN(Cc1csc2ccccc12)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001598536423 992845095 /nfs/dbraw/zinc/84/50/95/992845095.db2.gz VCGAVDXCEYXEDW-VQHVLOKHSA-N -1 0 341.388 3.864 20 0 EHADRM C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000154681138 1015756468 /nfs/dbraw/zinc/75/64/68/1015756468.db2.gz RIVULCGIXGWCFS-SSDOTTSWSA-N -1 0 349.214 3.551 20 0 EHADRM CN1CCCN(Cc2cc(C(=O)[O-])cs2)c2cc(Cl)ccc21 ZINC001598601318 993575925 /nfs/dbraw/zinc/57/59/25/993575925.db2.gz RORNTTWFLMJPMW-UHFFFAOYSA-N -1 0 336.844 3.946 20 0 EHADRM C[C@H](NC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1)c1cccc2ccccc21 ZINC001593072072 993628094 /nfs/dbraw/zinc/62/80/94/993628094.db2.gz NKPYKFSAXQYNPO-IJEWVQPXSA-N -1 0 340.423 3.653 20 0 EHADRM C[C@H](NC(=O)N[C@@H]1CC=C(C(=O)[O-])C1)c1ccc(F)c2ccccc21 ZINC001593083603 993682732 /nfs/dbraw/zinc/68/27/32/993682732.db2.gz OUULZIKVXQBPQK-WCQYABFASA-N -1 0 342.370 3.513 20 0 EHADRM COc1ccc(NC(=O)NCCCCC2(C(=O)[O-])CCC2)c(C)c1 ZINC001599594597 993733104 /nfs/dbraw/zinc/73/31/04/993733104.db2.gz YCKSPEXUSCMJBB-UHFFFAOYSA-N -1 0 334.416 3.550 20 0 EHADRM COc1ccc(NC(=O)c2ccc3nc(C)sc3c2)c(C(=O)[O-])c1 ZINC001599596294 993753042 /nfs/dbraw/zinc/75/30/42/993753042.db2.gz MXSBSXCIMZNJOR-UHFFFAOYSA-N -1 0 342.376 3.564 20 0 EHADRM C[C@@H](NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1csc2ccccc21 ZINC001593108088 993760162 /nfs/dbraw/zinc/76/01/62/993760162.db2.gz DDOABNNTTDKVFI-UTUOFQBUSA-N -1 0 332.425 3.515 20 0 EHADRM C[C@@H](NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1)c1csc2ccccc21 ZINC001593109577 993774340 /nfs/dbraw/zinc/77/43/40/993774340.db2.gz VVNHBPSEIRUCRZ-UPJWGTAASA-N -1 0 346.452 3.905 20 0 EHADRM C[C@H](NC(=O)Nc1cccc(C(=O)[O-])c1)c1ccc2ncsc2c1 ZINC001593118592 993831538 /nfs/dbraw/zinc/83/15/38/993831538.db2.gz PYQILXPCXBGZAI-JTQLQIEISA-N -1 0 341.392 3.877 20 0 EHADRM COc1ccc(OC)c(NC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c1 ZINC001599604098 993859023 /nfs/dbraw/zinc/85/90/23/993859023.db2.gz CZZATAPEVVSOIT-NSHDSACASA-N -1 0 344.367 3.536 20 0 EHADRM C[C@H](c1ccccc1)N(C)C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000339885521 1015814617 /nfs/dbraw/zinc/81/46/17/1015814617.db2.gz VPAKSSMFSZNHEZ-CYBMUJFWSA-N -1 0 339.370 3.550 20 0 EHADRM C[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccc(-c2ccc(Cl)cc2)s1 ZINC001593141272 993928272 /nfs/dbraw/zinc/92/82/72/993928272.db2.gz UZJXKMMNPXCSEV-TVYUQYBPSA-N -1 0 349.839 3.966 20 0 EHADRM C[C@H](NC(=O)c1cc2sccc2s1)c1ncc(C(=O)[O-])s1 ZINC001593155530 993968667 /nfs/dbraw/zinc/96/86/67/993968667.db2.gz DPFKOPSDIAHDMN-LURJTMIESA-N -1 0 338.435 3.609 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1F)c1cccc(C2CC2)c1 ZINC001593160506 993991361 /nfs/dbraw/zinc/99/13/61/993991361.db2.gz YHAKUHPSKCXAHL-LLVKDONJSA-N -1 0 327.355 3.892 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2C(=O)Nc2scc(C(=O)[O-])c2C)cc1 ZINC001599621165 994085661 /nfs/dbraw/zinc/08/56/61/994085661.db2.gz YMWBZGQLAKUVLR-QWHCGFSZSA-N -1 0 331.393 3.506 20 0 EHADRM C[C@H](N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1)c1cscn1 ZINC001593197353 994162467 /nfs/dbraw/zinc/16/24/67/994162467.db2.gz ZVTBGAZTBLNXFT-QPUJVOFHSA-N -1 0 330.331 3.638 20 0 EHADRM COc1ccc2c(c1)CCC[C@@H]2CC(=O)Nc1ccsc1C(=O)[O-] ZINC001599628759 994186507 /nfs/dbraw/zinc/18/65/07/994186507.db2.gz UKIYZDVESQCWKC-GFCCVEGCSA-N -1 0 345.420 3.904 20 0 EHADRM COc1ccc2cc(C(=O)Oc3ccc(CC(=O)[O-])cc3)sc2c1 ZINC001599634394 994264543 /nfs/dbraw/zinc/26/45/43/994264543.db2.gz AEOPUVWEGMREDO-UHFFFAOYSA-N -1 0 342.372 3.756 20 0 EHADRM COc1ccc2cc([C@H](C)OC(=O)C(C)(C)CC(=O)[O-])ccc2c1 ZINC001599634398 994264880 /nfs/dbraw/zinc/26/48/80/994264880.db2.gz AMMNXSXJQWCCFO-LBPRGKRZSA-N -1 0 330.380 3.954 20 0 EHADRM COc1ccc2cc([C@@H](C)OC(=O)C(C)(C)CC(=O)[O-])ccc2c1 ZINC001599634397 994265336 /nfs/dbraw/zinc/26/53/36/994265336.db2.gz AMMNXSXJQWCCFO-GFCCVEGCSA-N -1 0 330.380 3.954 20 0 EHADRM COc1ccc2cc(C(=O)Nc3cc(C(=O)[O-])ccc3F)sc2c1 ZINC001599635735 994285588 /nfs/dbraw/zinc/28/55/88/994285588.db2.gz BSFJSEJMFYFXNJ-UHFFFAOYSA-N -1 0 345.351 4.000 20 0 EHADRM C[C@H]([NH2+][C@@H]1CCC[C@H](CCCC(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593225557 994347019 /nfs/dbraw/zinc/34/70/19/994347019.db2.gz UZENEDSWXDYKSJ-CQJMVSDSSA-N -1 0 339.476 3.525 20 0 EHADRM COc1cccc(-n2ccnc2SC[C@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC001599640950 994357797 /nfs/dbraw/zinc/35/77/97/994357797.db2.gz OVHUUCJCXGGHGX-CJNGLKHVSA-N -1 0 346.452 3.864 20 0 EHADRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)C2=CCC(C)(C)CC2)c1 ZINC001599649396 994472984 /nfs/dbraw/zinc/47/29/84/994472984.db2.gz JLGQOZIBVWGECD-FQEVSTJZSA-N -1 0 345.439 3.638 20 0 EHADRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)[C@@H]2CCC(C)=C(C)C2)c1 ZINC001599649661 994477033 /nfs/dbraw/zinc/47/70/33/994477033.db2.gz MNYBLPPCZSYKRT-QRWLVFNGSA-N -1 0 345.439 3.638 20 0 EHADRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)C[C@@H]2CCCC[C@H]2C)c1 ZINC001599652478 994526762 /nfs/dbraw/zinc/52/67/62/994526762.db2.gz NLAILODKBHKHGH-SIFCLUCFSA-N -1 0 347.455 3.718 20 0 EHADRM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)Nc2cccc(C)c2)c1 ZINC001599654445 994556224 /nfs/dbraw/zinc/55/62/24/994556224.db2.gz ZEIQHKIOISVVLQ-LJQANCHMSA-N -1 0 342.395 3.515 20 0 EHADRM COc1cccc([C@H](C)C(=O)Nc2c(C)sc(C)c2C(=O)[O-])c1 ZINC001599654680 994558937 /nfs/dbraw/zinc/55/89/37/994558937.db2.gz XDYDYBQHVOWPIT-VIFPVBQESA-N -1 0 333.409 3.814 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)N[C@H](CC(C)(C)C)C(=O)[O-])c1 ZINC001599655369 994570960 /nfs/dbraw/zinc/57/09/60/994570960.db2.gz ONDLGIHHVPEPLI-RHSMWYFYSA-N -1 0 349.471 3.975 20 0 EHADRM COc1cccc([C@H](C)NC(=O)Nc2ccc(C(=O)[O-])cc2C)c1 ZINC001599656209 994584846 /nfs/dbraw/zinc/58/48/46/994584846.db2.gz BEFWMLKYHXDVEY-LBPRGKRZSA-N -1 0 328.368 3.585 20 0 EHADRM C[C@H](NCc1ccc(-c2ccccc2)o1)c1ncc(C(=O)[O-])s1 ZINC001593292869 994681238 /nfs/dbraw/zinc/68/12/38/994681238.db2.gz QMKGSRZZFCBXOY-NSHDSACASA-N -1 0 328.393 3.952 20 0 EHADRM CNc1ccc(Cl)c(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c1 ZINC001598680008 994912560 /nfs/dbraw/zinc/91/25/60/994912560.db2.gz STNNIUMKRDOULD-UONOGXRCSA-N -1 0 344.798 3.822 20 0 EHADRM C[C@H](Nc1cc(C(=O)[O-])ccc1OCc1ccccc1)c1cnccn1 ZINC001593359992 995021070 /nfs/dbraw/zinc/02/10/70/995021070.db2.gz MDUBUYOGOMHWRT-AWEZNQCLSA-N -1 0 349.390 3.927 20 0 EHADRM COC(=O)[C@@H](N[C@H](C)c1cc(C)ccc1C)c1cccc(C(=O)[O-])c1 ZINC001598706119 995289091 /nfs/dbraw/zinc/28/90/91/995289091.db2.gz NVAMZMIUNWBFKV-KDOFPFPSSA-N -1 0 341.407 3.567 20 0 EHADRM C[C@@H](OC(=O)C(F)(F)c1ccc(F)cc1)c1ccc(C(=O)[O-])o1 ZINC001593491000 995459157 /nfs/dbraw/zinc/45/91/57/995459157.db2.gz JEAKLPNAFVFICV-MRVPVSSYSA-N -1 0 328.242 3.513 20 0 EHADRM C[C@H](OC(=O)CCCC(=O)c1ccccc1)c1ccc(C(=O)[O-])o1 ZINC001593516084 995544276 /nfs/dbraw/zinc/54/42/76/995544276.db2.gz RBCBVZXCNRNDSQ-LBPRGKRZSA-N -1 0 330.336 3.635 20 0 EHADRM C[C@@H](OC(=O)C[C@H]1CCc2ccccc2C1)c1cc(C(=O)[O-])co1 ZINC001593516699 995549813 /nfs/dbraw/zinc/54/98/13/995549813.db2.gz VOECBZJUVVBUKX-OLZOCXBDSA-N -1 0 328.364 3.777 20 0 EHADRM C[C@@H](OC(=O)Cc1ccc(Cl)c(Cl)c1)c1nc(C(=O)[O-])co1 ZINC001593535677 995597963 /nfs/dbraw/zinc/59/79/63/995597963.db2.gz XREIAQBKNCPZCC-SSDOTTSWSA-N -1 0 344.150 3.527 20 0 EHADRM C[C@@H](OC(=O)c1cc(Br)cs1)c1cc(C(=O)[O-])co1 ZINC001593552853 995631617 /nfs/dbraw/zinc/63/16/17/995631617.db2.gz HDDMNKUCXOHERW-ZCFIWIBFSA-N -1 0 345.170 3.720 20 0 EHADRM C[C@H](OC(=O)c1cc(C2CC2)cnc1Cl)c1cc(C(=O)[O-])co1 ZINC001593556632 995645302 /nfs/dbraw/zinc/64/53/02/995645302.db2.gz SFXZZLZSOWVIEH-QMMMGPOBSA-N -1 0 335.743 3.822 20 0 EHADRM C[C@H](OC(=O)c1cc2c(ccnc2Cl)o1)c1cc(C(=O)[O-])co1 ZINC001593565099 995658532 /nfs/dbraw/zinc/65/85/32/995658532.db2.gz PCFZHZQCHGZLHE-ZETCQYMHSA-N -1 0 335.699 3.690 20 0 EHADRM C[C@H](OC(=O)c1ccc(F)c(C(F)F)c1)c1cc(C(=O)[O-])co1 ZINC001593578491 995686398 /nfs/dbraw/zinc/68/63/98/995686398.db2.gz BGZHGUZDUGAFNX-ZETCQYMHSA-N -1 0 328.242 3.973 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)c1F ZINC000180522223 1015966219 /nfs/dbraw/zinc/96/62/19/1015966219.db2.gz YLIUBSOHWZYNSS-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM C[C@@H](OC1CCCCC1)C(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-] ZINC001593603419 995769782 /nfs/dbraw/zinc/76/97/82/995769782.db2.gz VPMRRKBLJHOMQF-SECBINFHSA-N -1 0 343.782 3.854 20 0 EHADRM C[C@H](OC1CCCCC1)C(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC001593603651 995772264 /nfs/dbraw/zinc/77/22/64/995772264.db2.gz YOXAOMJKXNQTPX-INIZCTEOSA-N -1 0 347.455 3.618 20 0 EHADRM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC1(CC(=O)[O-])CCCC1 ZINC001593612205 995813774 /nfs/dbraw/zinc/81/37/74/995813774.db2.gz MYKJHRPFEHAXQD-CQSZACIVSA-N -1 0 347.455 3.655 20 0 EHADRM C[C@@H](Oc1ccc(CNc2cccc3c2OC(C)(C)C3)cc1)C(=O)[O-] ZINC001593619893 995865189 /nfs/dbraw/zinc/86/51/89/995865189.db2.gz SHXWWMGACKIQNI-CYBMUJFWSA-N -1 0 341.407 3.864 20 0 EHADRM CC(C)c1cccc(O[C@H](C)C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)c1 ZINC001593636266 995936750 /nfs/dbraw/zinc/93/67/50/995936750.db2.gz MCRKVQHDVQJEAE-CJNGLKHVSA-N -1 0 335.444 3.583 20 0 EHADRM C[C@H](Oc1ccccc1CNc1cccc(-c2cc[nH]n2)c1)C(=O)[O-] ZINC001593650515 996006930 /nfs/dbraw/zinc/00/69/30/996006930.db2.gz CSRJENQNTMIVMB-ZDUSSCGKSA-N -1 0 337.379 3.541 20 0 EHADRM C[C@H](SCC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccccc1F ZINC001593656631 996027447 /nfs/dbraw/zinc/02/74/47/996027447.db2.gz KVNOHZWVVKKTKA-NSHDSACASA-N -1 0 333.384 3.957 20 0 EHADRM C[C@@H](SCc1csc(-c2ccccn2)n1)c1nc(C(=O)[O-])co1 ZINC001593663568 996045289 /nfs/dbraw/zinc/04/52/89/996045289.db2.gz OEKXSGQEIDUJKY-SECBINFHSA-N -1 0 347.421 3.886 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC001593663606 996045405 /nfs/dbraw/zinc/04/54/05/996045405.db2.gz PUXZZJBBAHAJNI-LLVKDONJSA-N -1 0 333.384 3.784 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)O[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593664022 996048283 /nfs/dbraw/zinc/04/82/83/996048283.db2.gz WQHFWQQVTIOWFG-RHSMWYFYSA-N -1 0 344.432 3.547 20 0 EHADRM C[C@H](c1cc(F)ccc1F)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001593685903 996119521 /nfs/dbraw/zinc/11/95/21/996119521.db2.gz FEZRPYXSPRMOOA-LLVKDONJSA-N -1 0 333.334 3.619 20 0 EHADRM C[C@H](c1ccc(COC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1)C(F)(F)F ZINC001593694708 996152134 /nfs/dbraw/zinc/15/21/34/996152134.db2.gz ZJRWMFSYGYEYNF-HONMWMINSA-N -1 0 344.329 3.897 20 0 EHADRM C[C@H](c1ccccc1)N(C(=O)/C=C/c1ccc(C(=O)[O-])o1)C1CC1 ZINC001593705084 996187710 /nfs/dbraw/zinc/18/77/10/996187710.db2.gz GHKDIGJBLUOWDB-RSKUSDAESA-N -1 0 325.364 3.743 20 0 EHADRM C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001593723121 996254785 /nfs/dbraw/zinc/25/47/85/996254785.db2.gz JEZPBSQRFUCLGF-CWRNSKLLSA-N -1 0 343.448 3.949 20 0 EHADRM C[C@H](c1nc(-c2cc(C(=O)[O-])co2)no1)[C@@H]1OCCc2sccc21 ZINC001593723717 996259913 /nfs/dbraw/zinc/25/99/13/996259913.db2.gz DAOCBWVGSKSABG-SDBXPKJASA-N -1 0 346.364 3.507 20 0 EHADRM CC(C)COc1ccc(C(C)(C)NC(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000683303372 1016018787 /nfs/dbraw/zinc/01/87/87/1016018787.db2.gz URGIXKLPVPUWRL-UHFFFAOYSA-N -1 0 349.471 3.964 20 0 EHADRM C[C@H](c1nc(C(=O)[O-])co1)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC001593725014 996272465 /nfs/dbraw/zinc/27/24/65/996272465.db2.gz LAHQPUXEYDERAA-ZYHUDNBSSA-N -1 0 336.338 3.592 20 0 EHADRM C[C@H](c1nc(C(=O)[O-])co1)[S@@](=O)Cc1ccc(Cl)cc1Cl ZINC001593729044 996290819 /nfs/dbraw/zinc/29/08/19/996290819.db2.gz IIRNVQHXLCUKFN-QFWYVNQISA-N -1 0 348.207 3.690 20 0 EHADRM C[C@H](c1nc(C(=O)[O-])co1)[S@](=O)Cc1ccc(Cl)c(Cl)c1 ZINC001593729655 996292959 /nfs/dbraw/zinc/29/29/59/996292959.db2.gz LHNTXKFRFBTCQN-WODJRTHDSA-N -1 0 348.207 3.690 20 0 EHADRM C[C@H](c1ncc(C(=O)[O-])s1)N(Cc1ccc(F)cc1)CC1CC1 ZINC001593732131 996309165 /nfs/dbraw/zinc/30/91/65/996309165.db2.gz OSBQBDPVYPDHCH-LLVKDONJSA-N -1 0 334.416 3.954 20 0 EHADRM C[C@@H](c1ncc(C(=O)[O-])s1)[N@@H+]1CCc2ccccc2C(C)(C)C1 ZINC001593737890 996340693 /nfs/dbraw/zinc/34/06/93/996340693.db2.gz UFMWEHRSKDPUJD-LBPRGKRZSA-N -1 0 330.453 3.738 20 0 EHADRM C[C@]1(Br)C[C@@H]1C(=O)Oc1cc2ccccc2cc1C(=O)[O-] ZINC001593739200 996351554 /nfs/dbraw/zinc/35/15/54/996351554.db2.gz DEMTVBGVZIUFNS-WBMJQRKESA-N -1 0 349.180 3.617 20 0 EHADRM C[C@]1(C(=O)Nc2ncc(C(=O)[O-])cc2Cl)CCCc2ccccc21 ZINC001593762178 996428002 /nfs/dbraw/zinc/42/80/02/996428002.db2.gz HOZYWJNOWQTEFH-SFHVURJKSA-N -1 0 344.798 3.666 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)CCCCCc2ccc(F)cc2)C1 ZINC001593765959 996444460 /nfs/dbraw/zinc/44/44/60/996444460.db2.gz BPWSRTWMDBHWFB-LJQANCHMSA-N -1 0 335.419 3.642 20 0 EHADRM CCc1cc([N-]S(=O)(=O)c2sccc2OC)c2ccccc2n1 ZINC000180765713 1016038881 /nfs/dbraw/zinc/03/88/81/1016038881.db2.gz FYKNJJVBNQZBII-UHFFFAOYSA-N -1 0 348.449 3.668 20 0 EHADRM CC1(C(=O)[O-])CN(C(=O)CCCCc2ccc(Cl)c(Cl)c2)C1 ZINC001593801838 996525589 /nfs/dbraw/zinc/52/55/89/996525589.db2.gz KGUNACURFDIWIJ-UHFFFAOYSA-N -1 0 344.238 3.639 20 0 EHADRM CC1(C)[C@@H](c2ccc(F)cc2)CCN1C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001593838514 996598619 /nfs/dbraw/zinc/59/86/19/996598619.db2.gz XAONTTIGGSWOJM-GVDBMIGSSA-N -1 0 347.430 3.811 20 0 EHADRM CC1(C)[C@@H](c2ccccc2F)CCN1C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001593841904 996600981 /nfs/dbraw/zinc/60/09/81/996600981.db2.gz JQMYCGMRYADFMI-SQWLQELKSA-N -1 0 347.430 3.811 20 0 EHADRM COC(=O)CCC[C@H]1CCC[C@@H](Nc2ccc(C(=O)[O-])cc2OC)C1 ZINC001598850737 996601664 /nfs/dbraw/zinc/60/16/64/996601664.db2.gz GVASUPRFPKHEOJ-UKRRQHHQSA-N -1 0 349.427 3.707 20 0 EHADRM CC1(C)CC(C)(C)c2cc(NC(=O)CCSCC(=O)[O-])ccc21 ZINC001593848041 996617564 /nfs/dbraw/zinc/61/75/64/996617564.db2.gz GLUBSHWYAWKCLC-UHFFFAOYSA-N -1 0 335.469 3.792 20 0 EHADRM CC1(C)CC(CNC(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)C1 ZINC001593852880 996628295 /nfs/dbraw/zinc/62/82/95/996628295.db2.gz CGNSMPVFFUHZNF-UHFFFAOYSA-N -1 0 328.771 3.735 20 0 EHADRM CC1(C)C[C@H](NC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)CCS1 ZINC001593858411 996646899 /nfs/dbraw/zinc/64/68/99/996646899.db2.gz DBUXPBKNOQHMTG-SNVBAGLBSA-N -1 0 347.440 3.662 20 0 EHADRM CC1(C)C[C@H](NC(=O)c2cc(F)cc(C(=O)[O-])c2)c2ccccc21 ZINC001593859312 996649217 /nfs/dbraw/zinc/64/92/17/996649217.db2.gz QIUNPIUIHRDLBK-INIZCTEOSA-N -1 0 327.355 3.676 20 0 EHADRM CC1(C)C[C@H](OC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c2ccccc2O1 ZINC001593862338 996661248 /nfs/dbraw/zinc/66/12/48/996661248.db2.gz ZVLQSCCHXWRNRQ-ZENOOKHLSA-N -1 0 332.396 3.723 20 0 EHADRM CC1(C)CCC(C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)CC1 ZINC001593870476 996679952 /nfs/dbraw/zinc/67/99/52/996679952.db2.gz CWNQHQNLWLESKS-UHFFFAOYSA-N -1 0 337.847 3.970 20 0 EHADRM CC1(C)CCC(CC(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])CC1 ZINC001593873980 996686519 /nfs/dbraw/zinc/68/65/19/996686519.db2.gz HPJOEIXVZLVDCN-SFHVURJKSA-N -1 0 329.440 3.804 20 0 EHADRM CCc1cc(C(=O)N(C)C[C@H](C)C(=O)[O-])sc1-c1ccccc1 ZINC000655545023 1016056017 /nfs/dbraw/zinc/05/60/17/1016056017.db2.gz WPDQJHGSRWRDBK-LBPRGKRZSA-N -1 0 331.437 3.770 20 0 EHADRM CS[C@@H]1CCC[C@H](NC(=O)c2cccc(Br)c2[O-])C1 ZINC000536689859 1032137188 /nfs/dbraw/zinc/13/71/88/1032137188.db2.gz FBUYQULGACZRHO-VHSXEESVSA-N -1 0 344.274 3.559 20 0 EHADRM CC1(C)CCC(NC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)CC1 ZINC001593881470 996711199 /nfs/dbraw/zinc/71/11/99/996711199.db2.gz BCUMTLDAKADZBI-UHFFFAOYSA-N -1 0 329.400 3.956 20 0 EHADRM CC1(C)CCC[C@H](CNC(=O)N2CCc3cccc(C(=O)[O-])c3C2)C1 ZINC001593886031 996723259 /nfs/dbraw/zinc/72/32/59/996723259.db2.gz OOSGRCIIXOKVDK-AWEZNQCLSA-N -1 0 344.455 3.669 20 0 EHADRM CC1(C)CCC[C@](NC(=O)Cc2ccc3ccccc3c2)(C(=O)[O-])C1 ZINC001593890710 996734315 /nfs/dbraw/zinc/73/43/15/996734315.db2.gz FXIVAVJKURFHNZ-OAQYLSRUSA-N -1 0 339.435 3.922 20 0 EHADRM CC1(C)CCC[C@@](NC(=O)c2cccc(-n3cccc3)c2)(C(=O)[O-])C1 ZINC001593893227 996745812 /nfs/dbraw/zinc/74/58/12/996745812.db2.gz YPQWGUHCRNMDSK-FQEVSTJZSA-N -1 0 340.423 3.631 20 0 EHADRM CC1(C)CCC[C@@H]1C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001593896840 996755304 /nfs/dbraw/zinc/75/53/04/996755304.db2.gz CXKSEEOLPPDAPQ-ARFHVFGLSA-N -1 0 349.858 3.793 20 0 EHADRM CC1(C)CCC[C@](O)(CNc2nc(Cl)c(C(=O)[O-])s2)CC1 ZINC001593896915 996755987 /nfs/dbraw/zinc/75/59/87/996755987.db2.gz FKLVUPOKVZLZOB-CQSZACIVSA-N -1 0 332.853 3.628 20 0 EHADRM CC1(C)CCC[C@@H]1C(=O)Oc1ccc(Br)cc1C(=O)[O-] ZINC001593898138 996759592 /nfs/dbraw/zinc/75/95/92/996759592.db2.gz SQGLIHNFVRRPHN-LLVKDONJSA-N -1 0 341.201 3.879 20 0 EHADRM COCc1c2ccccc2oc1C(=O)OCc1ccsc1C(=O)[O-] ZINC001599278578 996854104 /nfs/dbraw/zinc/85/41/04/996854104.db2.gz OUYOAMLMKSOJHU-UHFFFAOYSA-N -1 0 346.360 3.696 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(OC(C)C)cc2C(=O)[O-])c(F)c1 ZINC001599486321 996855570 /nfs/dbraw/zinc/85/55/70/996855570.db2.gz HONXRCOQRZIENZ-UHFFFAOYSA-N -1 0 347.342 3.572 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)c(C)c1 ZINC001599486445 996857783 /nfs/dbraw/zinc/85/77/83/996857783.db2.gz RZLQTMAHCSMLJP-UHFFFAOYSA-N -1 0 337.734 3.747 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@H]2CCCc3ccccc32)c1F ZINC001599489685 996915589 /nfs/dbraw/zinc/91/55/89/996915589.db2.gz OULGHVKEJJEFEF-ZDUSSCGKSA-N -1 0 343.354 3.591 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)c2cc3cccc(C)c3o2)c1 ZINC001599492227 996960131 /nfs/dbraw/zinc/96/01/31/996960131.db2.gz KABOEGVRIZDNLC-UHFFFAOYSA-N -1 0 326.304 3.667 20 0 EHADRM COc1cc(C(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)ccc1Cl ZINC001599387789 996976169 /nfs/dbraw/zinc/97/61/69/996976169.db2.gz UMPVAKPABLMQKZ-UHFFFAOYSA-N -1 0 348.782 3.930 20 0 EHADRM COCc1cc(NC(=O)N2CC=C(C(C)(C)C)CC2)cc(C(=O)[O-])c1 ZINC001599285815 996976223 /nfs/dbraw/zinc/97/62/23/996976223.db2.gz QVTBBNLXGKVHJG-UHFFFAOYSA-N -1 0 346.427 3.741 20 0 EHADRM COc1ccc(C(=O)[O-])c2c1CN(C(=O)C[C@@H](C)CC(C)(C)C)CC2 ZINC001599494840 997004468 /nfs/dbraw/zinc/00/44/68/997004468.db2.gz RSCDMBPQCRQYDP-CYBMUJFWSA-N -1 0 347.455 3.741 20 0 EHADRM CC(C)Cc1cc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc(=O)[nH]1 ZINC000683313188 1016082886 /nfs/dbraw/zinc/08/28/86/1016082886.db2.gz MTZPUYNIFDHHQR-UHFFFAOYSA-N -1 0 348.786 3.590 20 0 EHADRM COc1cc(C)c([C@@H](C)OC(=O)c2c(C)coc2CC(=O)[O-])cc1C ZINC001599390777 997031820 /nfs/dbraw/zinc/03/18/20/997031820.db2.gz OFYUVSZDEJGWHK-CYBMUJFWSA-N -1 0 346.379 3.759 20 0 EHADRM COCc1cc(NCc2nc(C(F)(F)F)cs2)cc(C(=O)[O-])c1 ZINC001599289369 997037565 /nfs/dbraw/zinc/03/75/65/997037565.db2.gz LAPNOSGSIXRLQB-UHFFFAOYSA-N -1 0 346.330 3.619 20 0 EHADRM COc1cc(C)cc(C(=O)NC[C@H](C(=O)[O-])C2CCCCCC2)c1C ZINC001599392132 997057324 /nfs/dbraw/zinc/05/73/24/997057324.db2.gz NYARGXLSTWWIIV-KRWDZBQOSA-N -1 0 347.455 3.713 20 0 EHADRM COc1cc(C)c(N[C@@H](C)c2ccccc2OCC(=O)[O-])cc1C ZINC001599393831 997087489 /nfs/dbraw/zinc/08/74/89/997087489.db2.gz QFESIWACCHMEJE-AWEZNQCLSA-N -1 0 329.396 3.949 20 0 EHADRM COc1cc(C)ccc1C(=O)Nc1nc(C(C)C)c(C(=O)[O-])s1 ZINC001599394256 997095658 /nfs/dbraw/zinc/09/56/58/997095658.db2.gz LYCIFVNUPYZTLJ-UHFFFAOYSA-N -1 0 334.397 3.534 20 0 EHADRM COC1(C)CCN(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])CC1 ZINC001599086093 997101001 /nfs/dbraw/zinc/10/10/01/997101001.db2.gz YEQHVLIDYTWZHL-UHFFFAOYSA-N -1 0 334.416 3.541 20 0 EHADRM COCc1ccc(COc2cc(/C=C/C(=O)[O-])ccc2OC)cc1 ZINC001599293914 997105181 /nfs/dbraw/zinc/10/51/81/997105181.db2.gz NCIMVAHAVCUWBQ-CSKARUKUSA-N -1 0 328.364 3.518 20 0 EHADRM COCc1ccc(COc2cc(/C=C\C(=O)[O-])ccc2OC)cc1 ZINC001599293915 997105392 /nfs/dbraw/zinc/10/53/92/997105392.db2.gz NCIMVAHAVCUWBQ-NTMALXAHSA-N -1 0 328.364 3.518 20 0 EHADRM COC1(CNC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)CCCCCC1 ZINC001599089506 997164911 /nfs/dbraw/zinc/16/49/11/997164911.db2.gz GXEQUPJDBNADRD-CQSZACIVSA-N -1 0 348.443 3.736 20 0 EHADRM COCc1ccsc1C(=O)OCc1cc(C(=O)[O-])ccc1Cl ZINC001599297723 997175939 /nfs/dbraw/zinc/17/59/39/997175939.db2.gz SCZUDJRTGYDGJY-UHFFFAOYSA-N -1 0 340.784 3.603 20 0 EHADRM COc1ccc(C(C)(C)C(=O)O[C@@H](C)c2cc(C(=O)[O-])co2)cc1 ZINC001599504278 997184824 /nfs/dbraw/zinc/18/48/24/997184824.db2.gz BJICCKRQNKNCAQ-NSHDSACASA-N -1 0 332.352 3.568 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)[C@@H](C)c1ccccc1C ZINC001599399454 997188666 /nfs/dbraw/zinc/18/86/66/997188666.db2.gz NWQQDKZYXZYJNX-MARXPDLDSA-N -1 0 340.375 3.811 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)[C@H]1CCC=CCCC1 ZINC001599399806 997194777 /nfs/dbraw/zinc/19/47/77/997194777.db2.gz OZVKGNQSJYONNF-QHEWEXRUSA-N -1 0 330.380 3.835 20 0 EHADRM COc1ccc(/C(C)=C\C(=O)Nc2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001599505259 997201275 /nfs/dbraw/zinc/20/12/75/997201275.db2.gz IYVOHBVFQOYGHY-RAXLEYEMSA-N -1 0 325.364 3.744 20 0 EHADRM COc1ccc(C(C)(C)N[C@@H](C)c2ncc(C(=O)[O-])s2)cc1F ZINC001599506263 997214905 /nfs/dbraw/zinc/21/49/05/997214905.db2.gz LBSAMOPSROJUOY-VIFPVBQESA-N -1 0 338.404 3.575 20 0 EHADRM COc1ccc([C@@H](C)N[C@H](C)c2ncc(C(=O)[O-])s2)cc1Cl ZINC001599508162 997249252 /nfs/dbraw/zinc/24/92/52/997249252.db2.gz CTCKJPBODJINHC-RKDXNWHRSA-N -1 0 340.832 3.915 20 0 EHADRM C[C@]1(CC(=O)Oc2ccc(Cl)cc2C(=O)[O-])CC1(Cl)Cl ZINC001593997551 997315076 /nfs/dbraw/zinc/31/50/76/997315076.db2.gz AZBKAFJENUVUKN-LBPRGKRZSA-N -1 0 337.586 3.918 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C)cc2Cl)cc1 ZINC001599514462 997358190 /nfs/dbraw/zinc/35/81/90/997358190.db2.gz UUIGSHJMZVPDGA-INIZCTEOSA-N -1 0 347.798 3.603 20 0 EHADRM COC1CCC(CC(=O)Nc2cccc(C(=O)[O-])c2Cl)CC1 ZINC001599100119 997366073 /nfs/dbraw/zinc/36/60/73/997366073.db2.gz MNTFQSUHMFIFKV-UHFFFAOYSA-N -1 0 325.792 3.572 20 0 EHADRM CON(C(=O)c1sc2cccc(C)c2c1Cl)[C@H](C)CC(=O)[O-] ZINC001599312359 997438573 /nfs/dbraw/zinc/43/85/73/997438573.db2.gz CZKKRKUFCDUFER-SECBINFHSA-N -1 0 341.816 3.730 20 0 EHADRM COc1cc(COc2ccccc2[C@@H](OC)C(=O)[O-])ccc1Cl ZINC001599416662 997524105 /nfs/dbraw/zinc/52/41/05/997524105.db2.gz BXQPLMDOOFRWJZ-MRXNPFEDSA-N -1 0 336.771 3.700 20 0 EHADRM CON(CC(C)(C)C)C(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC001599317481 997525930 /nfs/dbraw/zinc/52/59/30/997525930.db2.gz NLMVXSYHIIKHQQ-UHFFFAOYSA-N -1 0 326.418 3.548 20 0 EHADRM CON(Cc1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)[O-])c1C ZINC001599317751 997528841 /nfs/dbraw/zinc/52/88/41/997528841.db2.gz AAGCQIJGIGLNGR-UHFFFAOYSA-N -1 0 348.786 3.942 20 0 EHADRM CO[C@H]1CCC[C@@H](CC(=O)Nc2cc(C(=O)[O-])ccc2Cl)C1 ZINC001599113162 997606687 /nfs/dbraw/zinc/60/66/87/997606687.db2.gz ROPFLXDKAKSCEO-PWSUYJOCSA-N -1 0 325.792 3.572 20 0 EHADRM C[C@]1(Cc2ccc(Cl)c(F)c2)CCCN1c1ncc(C(=O)[O-])cn1 ZINC001594039549 997649122 /nfs/dbraw/zinc/64/91/22/997649122.db2.gz QLLRVVGXLMLLRK-QGZVFWFLSA-N -1 0 349.793 3.569 20 0 EHADRM C[C@]1(Cc2ccccc2F)CCCN1C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001594041218 997657018 /nfs/dbraw/zinc/65/70/18/997657018.db2.gz CBDVEMMEQHFFCC-RZQQEMMASA-N -1 0 347.430 3.640 20 0 EHADRM C[C@@]1(Cc2cccc3ccccc32)CCCN1c1ccnc(C(=O)[O-])n1 ZINC001594041513 997662263 /nfs/dbraw/zinc/66/22/63/997662263.db2.gz LNNYHZWVHXLGSY-NRFANRHFSA-N -1 0 347.418 3.930 20 0 EHADRM C[C@]1(NC(=O)C2(Cc3ccc(Cl)cc3)CC2)CCCC[C@H]1C(=O)[O-] ZINC001594052073 997752090 /nfs/dbraw/zinc/75/20/90/997752090.db2.gz LJUIABIQSZBRQT-YJBOKZPZSA-N -1 0 349.858 3.812 20 0 EHADRM COc1c(C)cc(Cl)cc1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001599331275 997753156 /nfs/dbraw/zinc/75/31/56/997753156.db2.gz JYXOBUBPJDOKLU-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM COc1cc(NC(=O)CC(C)(C)C)c(C(=O)[O-])cc1Br ZINC001599430855 997756156 /nfs/dbraw/zinc/75/61/56/997756156.db2.gz DLMAHOFMUAUYLM-UHFFFAOYSA-N -1 0 344.205 3.531 20 0 EHADRM COc1cc(NC(=O)/C=C(\C)c2ccc(F)cc2)ccc1C(=O)[O-] ZINC001599431050 997759107 /nfs/dbraw/zinc/75/91/07/997759107.db2.gz BZDPWAKUDUSCIK-PKNBQFBNSA-N -1 0 329.327 3.575 20 0 EHADRM COCCC[C@@H](C)C(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001599226042 997761148 /nfs/dbraw/zinc/76/11/48/997761148.db2.gz XPFWGIJLQDVUIX-ZWNOBZJWSA-N -1 0 348.317 3.594 20 0 EHADRM COc1c(C)cnc(CN(C)[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1C ZINC001599333676 997792826 /nfs/dbraw/zinc/79/28/26/997792826.db2.gz GTDPSOJVFOFMJA-MRXNPFEDSA-N -1 0 348.830 3.618 20 0 EHADRM CO[C@H]1CCN(Cc2sc3ccccc3c2Cl)[C@H](C(=O)[O-])C1 ZINC001599123745 997794660 /nfs/dbraw/zinc/79/46/60/997794660.db2.gz MARRXOMJKXTMDE-JQWIXIFHSA-N -1 0 339.844 3.619 20 0 EHADRM COC(=O)c1cc(CNc2ccccc2OC(C)C)cc(C(=O)[O-])c1 ZINC001598933710 997820838 /nfs/dbraw/zinc/82/08/38/997820838.db2.gz SUUCJESNMYWHQM-UHFFFAOYSA-N -1 0 343.379 3.571 20 0 EHADRM COc1c(NC(=O)/C(C)=C\c2ccc(C)cc2)cccc1C(=O)[O-] ZINC001599337777 997867481 /nfs/dbraw/zinc/86/74/81/997867481.db2.gz MFXKJGXJDCYSAX-QBFSEMIESA-N -1 0 325.364 3.744 20 0 EHADRM COc1c(NC(=O)NCc2cc(Cl)ccc2C)cccc1C(=O)[O-] ZINC001599338936 997887782 /nfs/dbraw/zinc/88/77/82/997887782.db2.gz BJTPRLMRCCPLTF-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM COc1c(NC(=O)NCC2(CC(C)C)CCC2)cccc1C(=O)[O-] ZINC001599340917 997920594 /nfs/dbraw/zinc/92/05/94/997920594.db2.gz MQYWSVFDHIPASU-UHFFFAOYSA-N -1 0 334.416 3.731 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)c1cc(C)cc(Cl)c1 ZINC001599546124 997926016 /nfs/dbraw/zinc/92/60/16/997926016.db2.gz KYSKZJHQJQDPCE-XQRVVYSFSA-N -1 0 346.766 3.974 20 0 EHADRM COc1cc(NC(=O)c2cc3ccccc3cc2O)ccc1C(=O)[O-] ZINC001599442208 997948579 /nfs/dbraw/zinc/94/85/79/997948579.db2.gz KZENMSOQAXGDOS-UHFFFAOYSA-N -1 0 337.331 3.505 20 0 EHADRM COc1cc(N[C@@H](C)c2ncc(C(=O)[O-])s2)ccc1OC(F)F ZINC001599443453 997968215 /nfs/dbraw/zinc/96/82/15/997968215.db2.gz SFIRIFMBSLAMBK-ZETCQYMHSA-N -1 0 344.339 3.624 20 0 EHADRM COc1cc(N[C@@H](C)c2cncc(C(=O)[O-])c2)c(OC)cc1Cl ZINC001599443471 997969316 /nfs/dbraw/zinc/96/93/16/997969316.db2.gz TYYXZQNVNUDNJS-VIFPVBQESA-N -1 0 336.775 3.624 20 0 EHADRM COc1ccc(CC(=O)O[C@@H]2CCCc3cc(C(=O)[O-])ccc32)cc1 ZINC001599549443 997979856 /nfs/dbraw/zinc/97/98/56/997979856.db2.gz PUJHNYKFHGPFCS-GOSISDBHSA-N -1 0 340.375 3.557 20 0 EHADRM COc1ccc(CC(C)(C)NC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001599549595 997982474 /nfs/dbraw/zinc/98/24/74/997982474.db2.gz YQENYTKRENLGDG-UHFFFAOYSA-N -1 0 342.395 3.536 20 0 EHADRM COc1c(Sc2ccc(Cl)c(Cl)c2)ncnc1C(=O)[O-] ZINC001599345260 997992260 /nfs/dbraw/zinc/99/22/60/997992260.db2.gz UCTDOONAPROHGP-UHFFFAOYSA-N -1 0 331.180 3.641 20 0 EHADRM Cc1cc([C@H](C)N2CCC(C)=C(Br)C2)oc1C(=O)[O-] ZINC001594090175 998036208 /nfs/dbraw/zinc/03/62/08/998036208.db2.gz IAWMOYINHQVVMI-JTQLQIEISA-N -1 0 328.206 3.722 20 0 EHADRM COc1ccc(CNC(=O)/C(C)=C\C2CCC(C)CC2)cc1C(=O)[O-] ZINC001599562896 998232634 /nfs/dbraw/zinc/23/26/34/998232634.db2.gz DBUPPIREULWUOK-UVTDQMKNSA-N -1 0 345.439 3.782 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC001594136684 998381421 /nfs/dbraw/zinc/38/14/21/998381421.db2.gz RGLFXZXEGQXEIY-RGGPIECMSA-N -1 0 335.403 3.641 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@H](c1ccc(F)cc1)C(C)C ZINC001599370125 998395562 /nfs/dbraw/zinc/39/55/62/998395562.db2.gz GBYLFXAOANAGJF-KRWDZBQOSA-N -1 0 345.370 3.911 20 0 EHADRM COc1ccc(CS[C@@H](C(=O)[O-])c2ccccc2F)c(OC)c1 ZINC001599574930 998427484 /nfs/dbraw/zinc/42/74/84/998427484.db2.gz BQVLDXQKSVKUCT-MRXNPFEDSA-N -1 0 336.384 3.902 20 0 EHADRM COC[C@H](C)[C@@H](C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1Cl ZINC001599159421 998431007 /nfs/dbraw/zinc/43/10/07/998431007.db2.gz UMXYAPANLRLOPZ-JGVFFNPUSA-N -1 0 334.199 3.549 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)NC(C)(C)c1cccc(C)c1 ZINC001599372937 998440945 /nfs/dbraw/zinc/44/09/45/998440945.db2.gz SOOIZJVMHANPPJ-UHFFFAOYSA-N -1 0 342.395 3.759 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)Nc1ccc(C2CC2)cc1 ZINC001599374048 998458668 /nfs/dbraw/zinc/45/86/68/998458668.db2.gz JBKPMRXHYMGGHB-UHFFFAOYSA-N -1 0 326.352 3.915 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)Nc1cccc2ccn(C)c21 ZINC001599374337 998463132 /nfs/dbraw/zinc/46/31/32/998463132.db2.gz NBWXWFSKHJJNJN-UHFFFAOYSA-N -1 0 339.351 3.529 20 0 EHADRM COc1ccc(Br)c(OC[C@@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC001599476040 998532954 /nfs/dbraw/zinc/53/29/54/998532954.db2.gz WFOVKEPOSSLAQG-CMPLNLGQSA-N -1 0 343.217 3.728 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)c1cccc(C(F)F)c1F ZINC001599378986 998536457 /nfs/dbraw/zinc/53/64/57/998536457.db2.gz HFTOIZZCNWPTGS-UHFFFAOYSA-N -1 0 340.253 3.689 20 0 EHADRM COC(=O)c1ccc(NC(=O)C[C@H](C)C2CCCCC2)cc1C(=O)[O-] ZINC001598979281 998639790 /nfs/dbraw/zinc/63/97/90/998639790.db2.gz ZNDWKSDXOXQNFO-LBPRGKRZSA-N -1 0 347.411 3.716 20 0 EHADRM C[C@]1(NC(=O)c2ccc(OC3CCCC3)cc2)CCCC[C@H]1C(=O)[O-] ZINC000683333466 1016237318 /nfs/dbraw/zinc/23/73/18/1016237318.db2.gz UIILNJDPFGNZKE-PXNSSMCTSA-N -1 0 345.439 3.771 20 0 EHADRM C[C@]1(NC(=O)c2ccc(OC3CCCC3)cc2)CCCC[C@@H]1C(=O)[O-] ZINC000683333468 1016237329 /nfs/dbraw/zinc/23/73/29/1016237329.db2.gz UIILNJDPFGNZKE-XLIONFOSSA-N -1 0 345.439 3.771 20 0 EHADRM C[C@H]1[C@H](Nc2ccc(F)cc2OCC(F)F)CC[C@H]1CC(=O)[O-] ZINC001594185350 998718610 /nfs/dbraw/zinc/71/86/10/998718610.db2.gz OTGIZDHNXFTBET-JFGNBEQYSA-N -1 0 331.334 3.771 20 0 EHADRM C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001594197189 998763291 /nfs/dbraw/zinc/76/32/91/998763291.db2.gz PFPQYVYYBWWQIG-BXKDBHETSA-N -1 0 331.393 3.543 20 0 EHADRM C[C@@H]1C[C@H](C(=O)Nc2cccc3cc(C(=O)[O-])sc32)CCC1=O ZINC001594203021 998781727 /nfs/dbraw/zinc/78/17/27/998781727.db2.gz DAVDYVVKOBTHTM-MWLCHTKSSA-N -1 0 331.393 3.543 20 0 EHADRM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1C(=O)c1coc2ccc(Cl)cc21 ZINC001594207595 998800588 /nfs/dbraw/zinc/80/05/88/998800588.db2.gz GSUBUWGYHYNTOE-NXEZZACHSA-N -1 0 335.787 3.800 20 0 EHADRM C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001594214793 998827548 /nfs/dbraw/zinc/82/75/48/998827548.db2.gz NOJVQAOKGDJACU-WCBMZHEXSA-N -1 0 348.296 3.719 20 0 EHADRM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001594217288 998837405 /nfs/dbraw/zinc/83/74/05/998837405.db2.gz QNDOEUVTIWHBLK-ONGXEEELSA-N -1 0 340.370 3.999 20 0 EHADRM C[C@H]1C[C@H](CNC(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CCO1 ZINC001594239088 998910989 /nfs/dbraw/zinc/91/09/89/998910989.db2.gz LMADICXJDKHVJV-WDEREUQCSA-N -1 0 348.424 3.536 20 0 EHADRM C[C@@H]1C[C@H](CNc2cccc(C(=O)[O-])c2)CCN1C(=O)OC(C)(C)C ZINC001594242993 998923610 /nfs/dbraw/zinc/92/36/10/998923610.db2.gz JRQUWSDJVZHAKT-ZIAGYGMSSA-N -1 0 348.443 3.832 20 0 EHADRM C[C@@H]1CC(F)(F)CCN1C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001594246032 998941175 /nfs/dbraw/zinc/94/11/75/998941175.db2.gz RWFKEJXWYXDRIH-DDTOSNHZSA-N -1 0 338.354 3.526 20 0 EHADRM O=C([O-])C1CC(C(=O)N2CCCCC[C@@H]2/C=C\c2cccs2)C1 ZINC000683340776 1016268659 /nfs/dbraw/zinc/26/86/59/1016268659.db2.gz KMOIZWKWZDPIMV-KYRFDQLESA-N -1 0 333.453 3.643 20 0 EHADRM CO[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1C(=O)[O-])C1CC1 ZINC001599026028 999016778 /nfs/dbraw/zinc/01/67/78/999016778.db2.gz BIZGQVWVHTXATN-QGZVFWFLSA-N -1 0 341.363 3.541 20 0 EHADRM CO[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1C(=O)[O-])C1CC1 ZINC001599026027 999016804 /nfs/dbraw/zinc/01/68/04/999016804.db2.gz BIZGQVWVHTXATN-KRWDZBQOSA-N -1 0 341.363 3.541 20 0 EHADRM CO[C@@H](C(=O)[O-])c1ccccc1OCCOc1cc(C)cc(C)c1 ZINC001599027120 999024486 /nfs/dbraw/zinc/02/44/86/999024486.db2.gz QYQFGTXSBKKALZ-GOSISDBHSA-N -1 0 330.380 3.533 20 0 EHADRM CO[C@@H](C(=O)[O-])c1ccccc1OCc1coc(-c2cccs2)n1 ZINC001599028220 999031370 /nfs/dbraw/zinc/03/13/70/999031370.db2.gz YVNUYLUXCLUSGS-OAHLLOKOSA-N -1 0 345.376 3.754 20 0 EHADRM CO[C@](C)(C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC001599030102 999044214 /nfs/dbraw/zinc/04/42/14/999044214.db2.gz QGJXCEMJZOBMGU-KRWDZBQOSA-N -1 0 334.755 3.505 20 0 EHADRM CO[C@H](C)c1nc(C)c(C(=O)OCc2cc(C(=O)[O-])ccc2C)s1 ZINC001599041232 999119191 /nfs/dbraw/zinc/11/91/91/999119191.db2.gz PWGYQVJSZADQPX-LLVKDONJSA-N -1 0 349.408 3.523 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001594290782 999119434 /nfs/dbraw/zinc/11/94/34/999119434.db2.gz FNFHKACCHCHICB-FFSVYQOJSA-N -1 0 334.391 3.638 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1[C@@H]2CC[C@H]1CC(C)C2 ZINC001594293396 999132044 /nfs/dbraw/zinc/13/20/44/999132044.db2.gz SZIGLMGONPIBCD-LQDVMPOASA-N -1 0 346.427 3.967 20 0 EHADRM C[C@@H]1CC[C@](C)(/C=C\C(=O)N[C@@H](C(=O)[O-])c2ccc(O)cc2)C1(C)C ZINC001594295390 999136214 /nfs/dbraw/zinc/13/62/14/999136214.db2.gz AUSDLYXTYQUFTF-MYWGSKQRSA-N -1 0 345.439 3.653 20 0 EHADRM C[C@@H]1CC[C@](C)(/C=C/C(=O)NCc2ccccc2CC(=O)[O-])C1(C)C ZINC001594296225 999140903 /nfs/dbraw/zinc/14/09/03/999140903.db2.gz ORDQOMMJNHTXIO-MVXHVNQQSA-N -1 0 343.467 3.949 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)C[C@@H]1C ZINC001594296342 999141510 /nfs/dbraw/zinc/14/15/10/999141510.db2.gz MQYJTVIDZGTHGO-OAOQPFQOSA-N -1 0 343.467 3.993 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N(CC(=O)[O-])c1ccccc1 ZINC001594299123 999154414 /nfs/dbraw/zinc/15/44/14/999154414.db2.gz SFTMDNPPACAPGJ-NXHRZFHOSA-N -1 0 347.455 3.582 20 0 EHADRM C[C@@H]1CC[C@H](CC(=O)N[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1 ZINC001594303208 999173442 /nfs/dbraw/zinc/17/34/42/999173442.db2.gz WNBHFGREKLYVIE-JRPNMDOOSA-N -1 0 343.345 3.774 20 0 EHADRM C[C@@H]1CC[C@](NC(=O)/C=C\C2CCCC2)(C(=O)[O-])c2ccccc21 ZINC001594312893 999202048 /nfs/dbraw/zinc/20/20/48/999202048.db2.gz FFQOBKRMTQFGGR-APPAPMPPSA-N -1 0 327.424 3.726 20 0 EHADRM C[C@@H]1CC[C@](NC(=O)[C@H]2CCC[C@H](F)C2)(C(=O)[O-])c2ccccc21 ZINC001594314782 999218361 /nfs/dbraw/zinc/21/83/61/999218361.db2.gz SKEBEYHJQQHQFB-UMCXVIDHSA-N -1 0 333.403 3.508 20 0 EHADRM C[C@@H]1CC[C@](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)(C(=O)[O-])c2ccccc21 ZINC001594315220 999220409 /nfs/dbraw/zinc/22/04/09/999220409.db2.gz UUXAQZBBPSVDST-NYVDJMTNSA-N -1 0 341.451 3.806 20 0 EHADRM C[C@@H]1CC[C@@](NC(=O)c2ccc(Cl)cc2)(C(=O)[O-])c2ccccc21 ZINC001594322309 999241658 /nfs/dbraw/zinc/24/16/58/999241658.db2.gz JZZXCLBFZIDKLL-BLVKFPJESA-N -1 0 343.810 3.947 20 0 EHADRM C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)C1 ZINC001594330686 999271343 /nfs/dbraw/zinc/27/13/43/999271343.db2.gz WOFKOZOGJXMZDQ-LAVFITLUSA-N -1 0 329.440 3.877 20 0 EHADRM C[C@@H]1CCC[C@@H](NC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC001594348737 999322651 /nfs/dbraw/zinc/32/26/51/999322651.db2.gz BDRMCQSZYKCHRX-BMFZPTHFSA-N -1 0 332.444 3.716 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(OCCC(=O)[O-])cc1)[C@@H]1CCC[C@@H](C)C1 ZINC001594354773 999339831 /nfs/dbraw/zinc/33/98/31/999339831.db2.gz FZDIBHRMBIVDJO-QLFBSQMISA-N -1 0 348.443 3.876 20 0 EHADRM C[C@H]1CCC[C@H](OCC(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)C1 ZINC001594354913 999339841 /nfs/dbraw/zinc/33/98/41/999339841.db2.gz GFQPVVDSZPWSKX-ONGXEEELSA-N -1 0 343.782 3.711 20 0 EHADRM C[C@H]1CCCC[C@@H]1C(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001594363931 999374652 /nfs/dbraw/zinc/37/46/52/999374652.db2.gz OZMGDOASNVJWKP-LRDDRELGSA-N -1 0 329.396 3.616 20 0 EHADRM C[C@H]1CCCC[C@@H]1Cc1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC001594367275 999388130 /nfs/dbraw/zinc/38/81/30/999388130.db2.gz QBRVJYLIGHNEFQ-QWHCGFSZSA-N -1 0 330.384 3.716 20 0 EHADRM C[C@H]1CCCC[C@H]1NC(=S)Nc1ccc2c(c1)[nH]cc2C(=O)[O-] ZINC001594369836 999392727 /nfs/dbraw/zinc/39/27/27/999392727.db2.gz APHUMUGPARBMAA-IINYFYTJSA-N -1 0 331.441 3.731 20 0 EHADRM C[C@H]1CCCC[C@H]1NC(=S)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001594370470 999396104 /nfs/dbraw/zinc/39/61/04/999396104.db2.gz HVDIGUJFYRPJDZ-WCBMZHEXSA-N -1 0 328.384 3.528 20 0 EHADRM C[C@@H]1CCCC[C@@H]1NC(=S)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001594371216 999399952 /nfs/dbraw/zinc/39/99/52/999399952.db2.gz PDECAVMZEZRCMC-KCJUWKMLSA-N -1 0 328.384 3.528 20 0 EHADRM C[C@@H]1CCCN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)c2ccccc21 ZINC001594379335 999430960 /nfs/dbraw/zinc/43/09/60/999430960.db2.gz RTERKQKPFBNOMY-YGNAEDSMSA-N -1 0 325.364 3.922 20 0 EHADRM C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001594389130 999473911 /nfs/dbraw/zinc/47/39/11/999473911.db2.gz RTVBTNWYGZUVAB-KPZWWZAWSA-N -1 0 341.382 3.967 20 0 EHADRM C[C@@H]1CCN(C(=O)/C=C/c2cc(C(=O)[O-])co2)CC12CCCCC2 ZINC001594396066 999492131 /nfs/dbraw/zinc/49/21/31/999492131.db2.gz HSUHUMQQNGGFFA-VBROQKIQSA-N -1 0 331.412 3.810 20 0 EHADRM C[C@H]1CCN(C(=O)NCC2(CC(=O)[O-])CCCC2)[C@@H](c2ccco2)C1 ZINC001594402272 999506911 /nfs/dbraw/zinc/50/69/11/999506911.db2.gz UUFDDBMWJSHCCY-LSDHHAIUSA-N -1 0 348.443 3.797 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)[C@H](C(=O)[O-])C1 ZINC001594410434 999531724 /nfs/dbraw/zinc/53/17/24/999531724.db2.gz PQGUGCNZQBXUTP-PELKAZGASA-N -1 0 349.736 3.684 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccsc2CC(=O)[O-])CC12CCCCC2 ZINC001594410849 999534210 /nfs/dbraw/zinc/53/42/10/999534210.db2.gz FYEQYJYIMQTBPG-ZDUSSCGKSA-N -1 0 335.469 3.808 20 0 EHADRM O=C(c1nn(-c2ccccc2)cc1[O-])N1CCC[C@@H]1C1CCCCC1 ZINC000175548461 1016360287 /nfs/dbraw/zinc/36/02/87/1016360287.db2.gz SIJFXEZBURMIJF-QGZVFWFLSA-N -1 0 339.439 3.763 20 0 EHADRM C[C@H](CCC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655575289 1016375056 /nfs/dbraw/zinc/37/50/56/1016375056.db2.gz IEGOQKQFRNJIGM-TXCZRRACSA-N -1 0 331.456 3.822 20 0 EHADRM C[C@H](NC(=O)CCc1cc(Cl)cs1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655579569 1016436658 /nfs/dbraw/zinc/43/66/58/1016436658.db2.gz TWWXHHNGCXRLJY-TVYUQYBPSA-N -1 0 343.876 3.586 20 0 EHADRM C[C@@H](NC(=O)C[C@@H]1CCCc2ccccc21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655580327 1016439622 /nfs/dbraw/zinc/43/96/22/1016439622.db2.gz LMOLVSXMVDRYJI-HUHSQHJXSA-N -1 0 343.467 3.748 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1cccc(F)c1 ZINC000655579808 1016459272 /nfs/dbraw/zinc/45/92/72/1016459272.db2.gz YXRZTNQBLNJGTI-GVAFMPQTSA-N -1 0 335.419 3.571 20 0 EHADRM COc1ccc([C@@H](N=c2[n-]nc(C3CCOCC3)s2)C(C)C)cc1 ZINC000549108268 1016794552 /nfs/dbraw/zinc/79/45/52/1016794552.db2.gz BBMMZMBAOHZTIE-INIZCTEOSA-N -1 0 347.484 3.672 20 0 EHADRM O=S(=O)([N-]c1cccc2c[nH]nc21)c1cccc(Cl)c1Cl ZINC000025463821 1016844586 /nfs/dbraw/zinc/84/45/86/1016844586.db2.gz MJCGOIUDOFGWNA-UHFFFAOYSA-N -1 0 342.207 3.671 20 0 EHADRM C[C@@H](NC(=O)c1cc2cc(F)ccc2s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655583664 1016934624 /nfs/dbraw/zinc/93/46/24/1016934624.db2.gz NDXDSIKRRFVJQI-JIMOISOXSA-N -1 0 349.427 3.906 20 0 EHADRM Cc1cc(Nc2nc(C)c(Br)c(C)n2)ccc1C(=O)[O-] ZINC001211648011 1016957083 /nfs/dbraw/zinc/95/70/83/1016957083.db2.gz QKMYQDBJDWRVEB-UHFFFAOYSA-N -1 0 336.189 3.606 20 0 EHADRM C[C@H](NC(=O)c1cc(Cl)ccc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655584081 1016970396 /nfs/dbraw/zinc/97/03/96/1016970396.db2.gz FGVUUPJVVHBYPU-KPXOXKRLSA-N -1 0 344.238 3.859 20 0 EHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)NCCCCCC(=O)[O-])o1 ZINC000414614119 1017035848 /nfs/dbraw/zinc/03/58/48/1017035848.db2.gz TUOUTYOKTCBVCB-HNNXBMFYSA-N -1 0 336.432 3.860 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000414616165 1017051327 /nfs/dbraw/zinc/05/13/27/1017051327.db2.gz PYDCHWJURIVFIN-KRWDZBQOSA-N -1 0 336.407 3.563 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N2CCC[C@@H]2C(C)C)s1 ZINC000471323221 1017064429 /nfs/dbraw/zinc/06/44/29/1017064429.db2.gz UFWMZEBZVMOWCX-CQSZACIVSA-N -1 0 348.447 3.727 20 0 EHADRM CCc1nc2cc(NC(=O)c3cc(F)c(F)c([O-])c3F)ccc2o1 ZINC000183440029 1032171712 /nfs/dbraw/zinc/17/17/12/1032171712.db2.gz FKTXPLZBKLMZEK-UHFFFAOYSA-N -1 0 336.269 3.765 20 0 EHADRM CN(Cc1ccccc1-c1ccccc1)C(=O)c1cc(C(=O)[O-])co1 ZINC000183768017 1032203928 /nfs/dbraw/zinc/20/39/28/1032203928.db2.gz BQGGXTKVRCKQTP-UHFFFAOYSA-N -1 0 335.359 3.917 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)c2cccc(C(F)F)c2F)s[n-]1 ZINC000528393109 1032218091 /nfs/dbraw/zinc/21/80/91/1032218091.db2.gz IDZBPPQIMNLFCG-UHFFFAOYSA-N -1 0 329.347 3.587 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)[C@H]1CCCC[C@@H]1C(F)(F)F)C(=O)[O-] ZINC000449133538 1032228474 /nfs/dbraw/zinc/22/84/74/1032228474.db2.gz DPKAFEKLLPLXJC-SRVKXCTJSA-N -1 0 337.382 3.751 20 0 EHADRM CC[C@@H](C(=O)N=c1ccc(-c2ccccc2)n[n-]1)c1ccc(F)cc1 ZINC000461032212 1032229883 /nfs/dbraw/zinc/22/98/83/1032229883.db2.gz ZGQPVDSWKDNSNZ-QGZVFWFLSA-N -1 0 335.382 3.837 20 0 EHADRM CC[C@H](C(=O)N=c1nc(-c2cccnc2)[n-]s1)C1CCC(C)CC1 ZINC000461031823 1032229940 /nfs/dbraw/zinc/22/99/40/1032229940.db2.gz YDCZIVDHINLGLG-PIMMBPRGSA-N -1 0 344.484 3.813 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)o1 ZINC000449142154 1032244653 /nfs/dbraw/zinc/24/46/53/1032244653.db2.gz SAGKVOZORFYJNS-CWVYHPPDSA-N -1 0 345.439 3.610 20 0 EHADRM COc1cc(C)c(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)cc1C ZINC000683436941 1017072634 /nfs/dbraw/zinc/07/26/34/1017072634.db2.gz APEXRKUOWNKDNZ-OAHLLOKOSA-N -1 0 327.380 3.509 20 0 EHADRM CCOc1cc(CN2CCCC[C@H]2c2ccnn2C)cc(Cl)c1O ZINC000459545523 1032264058 /nfs/dbraw/zinc/26/40/58/1032264058.db2.gz SEMZWTRKDUHREN-INIZCTEOSA-N -1 0 349.862 3.905 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1cnc2ccc(Br)cn12 ZINC001211616601 1032283608 /nfs/dbraw/zinc/28/36/08/1032283608.db2.gz QCNZCZZWSWNXPJ-UHFFFAOYSA-N -1 0 346.184 3.847 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ncc(Cl)cc2C)cc1Cl ZINC000461191800 1032311862 /nfs/dbraw/zinc/31/18/62/1032311862.db2.gz YPNWCQPFWGQCNP-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM CCO[C@@H](C(=O)Nc1ccc(SC)c(C(=O)[O-])c1)C1CCCC1 ZINC000905043070 1032323688 /nfs/dbraw/zinc/32/36/88/1032323688.db2.gz CHHSORKVOKVCPU-OAHLLOKOSA-N -1 0 337.441 3.641 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2cccc3c2ccn3C(F)F)C1 ZINC000905115235 1032348516 /nfs/dbraw/zinc/34/85/16/1032348516.db2.gz DSZSMEFNWDJWHX-MNOVXSKESA-N -1 0 336.338 3.866 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc(N3CCCCC3)c(F)c2)C1 ZINC000905125154 1032350234 /nfs/dbraw/zinc/35/02/34/1032350234.db2.gz AZQUNNGLICOPSZ-KGLIPLIRSA-N -1 0 348.418 3.646 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccccc1OC(F)F)CC(=O)[O-] ZINC000325069639 1017259837 /nfs/dbraw/zinc/25/98/37/1017259837.db2.gz VHXUKWNVLXEEFN-NSHDSACASA-N -1 0 344.358 3.547 20 0 EHADRM CC(C)(C)c1nc(C(=O)N[C@H](CC(=O)[O-])C2CCCCC2)cs1 ZINC000538504124 1032402120 /nfs/dbraw/zinc/40/21/20/1032402120.db2.gz DNJRAPHYOWYDIC-GFCCVEGCSA-N -1 0 338.473 3.594 20 0 EHADRM CCCCn1cc(CN=c2[n-]nc(-c3ccccc3)s2)c(C)n1 ZINC000536894217 1032405525 /nfs/dbraw/zinc/40/55/25/1032405525.db2.gz TYVYEOZDEYPLET-UHFFFAOYSA-N -1 0 327.457 3.544 20 0 EHADRM CCC(CC)c1cc(CNC(=O)c2cc(C)cc(C(=O)[O-])c2)on1 ZINC000263045371 1032417456 /nfs/dbraw/zinc/41/74/56/1032417456.db2.gz DJURYGUPVKZAFV-UHFFFAOYSA-N -1 0 330.384 3.515 20 0 EHADRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1O ZINC000321213521 1032436999 /nfs/dbraw/zinc/43/69/99/1032436999.db2.gz AHHMSQXXPXIQTO-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM C[C@H](NC(=O)NCCCCCC(=O)[O-])c1cc2cccc(F)c2o1 ZINC000414636005 1017086987 /nfs/dbraw/zinc/08/69/87/1017086987.db2.gz CXYZGZFZYBIZBV-NSHDSACASA-N -1 0 336.363 3.577 20 0 EHADRM CC(C)(C)CN(Cc1ccccc1)C(=O)NCCCCCC(=O)[O-] ZINC000414630848 1017091413 /nfs/dbraw/zinc/09/14/13/1017091413.db2.gz UTDXCGWZQOUACH-UHFFFAOYSA-N -1 0 334.460 3.889 20 0 EHADRM Cc1ccc([C@@H](C)CNC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000579912056 1017099545 /nfs/dbraw/zinc/09/95/45/1017099545.db2.gz XCTHGQUXSMSQQU-YJBOKZPZSA-N -1 0 340.423 3.566 20 0 EHADRM CSc1cccc(NC(=O)N=c2nc(C(C)(C)C)[n-]s2)c1C ZINC000537100805 1032511330 /nfs/dbraw/zinc/51/13/30/1032511330.db2.gz KGHMGCLKMKOGKL-UHFFFAOYSA-N -1 0 336.486 3.932 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)N1CCC[C@H]1CCCc1ccccc1 ZINC000601999123 1032586355 /nfs/dbraw/zinc/58/63/55/1032586355.db2.gz BXNXZTNANITHER-HLLBOEOZSA-N -1 0 349.496 3.595 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)sc1C ZINC000091019353 1032618101 /nfs/dbraw/zinc/61/81/01/1032618101.db2.gz FZJHCSWMEYOELR-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM CCOCc1ccc([N-]S(=O)(=O)c2cc(C)c(C)s2)cc1 ZINC000091018314 1032615479 /nfs/dbraw/zinc/61/54/79/1032615479.db2.gz BAUFQRQEBSMZQV-UHFFFAOYSA-N -1 0 325.455 3.702 20 0 EHADRM CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC000592975350 1032620578 /nfs/dbraw/zinc/62/05/78/1032620578.db2.gz VOIVFUZFOKZCKI-UHFFFAOYSA-N -1 0 347.415 3.695 20 0 EHADRM C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000326863348 1032664128 /nfs/dbraw/zinc/66/41/28/1032664128.db2.gz VQFSPBZJOPVABL-VBKZILBWSA-N -1 0 343.398 3.778 20 0 EHADRM C[C@@H]1C[C@@H](CCNC(=O)C[C@@]2(C(=O)[O-])CCSC2)CC(C)(C)C1 ZINC000683437408 1017081077 /nfs/dbraw/zinc/08/10/77/1017081077.db2.gz IRBGBPWXDWNTMF-LBTNJELSSA-N -1 0 341.517 3.553 20 0 EHADRM C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)NCCCCCC(=O)[O-])C1 ZINC000414629482 1017081056 /nfs/dbraw/zinc/08/10/56/1017081056.db2.gz RIKKASRNWXUVCW-WBVHZDCISA-N -1 0 332.444 3.814 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc(Cl)cc2Cl)[C@@H](C(=O)[O-])C1 ZINC000128208956 1017138752 /nfs/dbraw/zinc/13/87/52/1017138752.db2.gz YGJLRRWRIMHNMP-PRHODGIISA-N -1 0 331.199 3.710 20 0 EHADRM CN(C[C@@H]1CCCC[C@@H]1O)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000183452311 1017332278 /nfs/dbraw/zinc/33/22/78/1017332278.db2.gz CWSMKBDVNWGNRQ-SJCJKPOMSA-N -1 0 347.842 3.822 20 0 EHADRM CC(=O)Nc1ccc(Cl)cc1NC(=O)c1ccc([O-])c(Cl)c1 ZINC000183509859 1017340432 /nfs/dbraw/zinc/34/04/32/1017340432.db2.gz KSCWWIPAFFLWGQ-UHFFFAOYSA-N -1 0 339.178 3.910 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1ccc(-n2cc[nH]c2=S)cc1 ZINC000172356788 1017392609 /nfs/dbraw/zinc/39/26/09/1017392609.db2.gz FTYGAPLMIYNEIP-UHFFFAOYSA-N -1 0 345.811 3.772 20 0 EHADRM CCOc1cc(-c2noc(C3(C)CCOCC3)n2)cc(Cl)c1O ZINC000683589446 1017552838 /nfs/dbraw/zinc/55/28/38/1017552838.db2.gz SHIHYCMPQVZXKJ-UHFFFAOYSA-N -1 0 338.791 3.562 20 0 EHADRM C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000545366572 1017648655 /nfs/dbraw/zinc/64/86/55/1017648655.db2.gz QBFUCMHJCITNDJ-BPLDGKMQSA-N -1 0 349.418 3.658 20 0 EHADRM COC(=O)c1oc2cc(F)ccc2c1Nc1cccc(C(=O)[O-])c1F ZINC001210238636 1017659261 /nfs/dbraw/zinc/65/92/61/1017659261.db2.gz LYXPVOZJMUFRQX-UHFFFAOYSA-N -1 0 347.273 3.939 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@H]1CC(C)(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655908487 1017903679 /nfs/dbraw/zinc/90/36/79/1017903679.db2.gz XWKDTANMLVQQIN-CBBWQLFWSA-N -1 0 338.492 3.732 20 0 EHADRM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cccc2cccnc21 ZINC000323383642 1017926670 /nfs/dbraw/zinc/92/66/70/1017926670.db2.gz HCPFWTUQEJVTAB-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CC4(C3)CCCC4)n2)cc1 ZINC000547989663 1017980512 /nfs/dbraw/zinc/98/05/12/1017980512.db2.gz JNUNGYHCWGGWIP-UHFFFAOYSA-N -1 0 339.439 3.718 20 0 EHADRM C[C@H](c1nc2ccccc2s1)N(C)Cc1nc(C(=O)[O-])cs1 ZINC000574213454 1032741592 /nfs/dbraw/zinc/74/15/92/1032741592.db2.gz UCOUEUCADRPFQP-SECBINFHSA-N -1 0 333.438 3.644 20 0 EHADRM CC[C@H](C)[C@@H]1CCCCN1C(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000606555308 1032747912 /nfs/dbraw/zinc/74/79/12/1032747912.db2.gz AOCARHGBFDQGES-RYUDHWBXSA-N -1 0 334.445 3.653 20 0 EHADRM Cc1cc([N-]C(=O)c2nc([C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)no2)no1 ZINC000656056061 1018395570 /nfs/dbraw/zinc/39/55/70/1018395570.db2.gz YTGFBZXRSKDBFY-CYZMBNFOSA-N -1 0 332.404 3.794 20 0 EHADRM CCCn1c(C)cc(-c2csc([N-]S(=O)(=O)CCC)n2)c1C ZINC000612047241 1032762985 /nfs/dbraw/zinc/76/29/85/1032762985.db2.gz ABCSRNGUBMXCPS-UHFFFAOYSA-N -1 0 341.502 3.790 20 0 EHADRM CC(C)Cc1ncc(CN[C@@H](C(=O)[O-])c2ccc(Cl)cc2)s1 ZINC000756332245 1018512263 /nfs/dbraw/zinc/51/22/63/1018512263.db2.gz GPQGWTMNADTHLK-OAHLLOKOSA-N -1 0 338.860 3.911 20 0 EHADRM C[C@H](Nc1nnc(-c2ccccc2)s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656091723 1018520611 /nfs/dbraw/zinc/52/06/11/1018520611.db2.gz IEYDKKHFKJKECO-WCFLWFBJSA-N -1 0 331.441 3.752 20 0 EHADRM O=S(=O)([O-])c1ccc(Cl)c(Nc2cnc3sccc3c2)c1 ZINC001210695149 1018556627 /nfs/dbraw/zinc/55/66/27/1018556627.db2.gz TVTCMJVDUFGHEH-UHFFFAOYSA-N -1 0 340.813 3.940 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]c1cnn(CC(C)C)c1C(F)F ZINC000340580583 1018573809 /nfs/dbraw/zinc/57/38/09/1018573809.db2.gz HSLFZJKWPWRVMR-UHFFFAOYSA-N -1 0 343.399 3.586 20 0 EHADRM Cc1nc2ccccc2nc1CN1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000580055797 1018574493 /nfs/dbraw/zinc/57/44/93/1018574493.db2.gz QORILJIPCKBEJA-HNNXBMFYSA-N -1 0 333.391 3.517 20 0 EHADRM Cc1ccc2nc(/C=C(\CC(=O)[O-])c3nc4ccccc4o3)cn2c1 ZINC000340590846 1018593920 /nfs/dbraw/zinc/59/39/20/1018593920.db2.gz YVKBMEGVZOAZPJ-MDWZMJQESA-N -1 0 333.347 3.799 20 0 EHADRM Cc1ccc2nc(C(=O)N=c3[n-]nc(-c4ccccc4)s3)ccc2c1 ZINC000580099846 1018639110 /nfs/dbraw/zinc/63/91/10/1018639110.db2.gz ZSPMDRKNYFEQIM-UHFFFAOYSA-N -1 0 346.415 3.736 20 0 EHADRM CCCN(C(=O)Nc1cc(F)c(SC)c(F)c1)[C@@H](CC)C(=O)[O-] ZINC000580149818 1018713805 /nfs/dbraw/zinc/71/38/05/1018713805.db2.gz OHQUVACWXYYOGB-LBPRGKRZSA-N -1 0 346.399 3.794 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)ccn1)c1ccc(Cl)cc1Cl ZINC000580252000 1018867780 /nfs/dbraw/zinc/86/77/80/1018867780.db2.gz WMVKASYNPDBGGO-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC000614386266 1018941338 /nfs/dbraw/zinc/94/13/38/1018941338.db2.gz BYMPHEIEEQWUBO-JKSUJKDBSA-N -1 0 348.406 3.536 20 0 EHADRM Cc1noc(C)c1[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000433519999 1019038966 /nfs/dbraw/zinc/03/89/66/1019038966.db2.gz NUDPZCARUIIKJG-UHFFFAOYSA-N -1 0 342.829 3.960 20 0 EHADRM COCc1cc(-c2ccc(OCCCC(=O)[O-])cc2)ccc1OC ZINC000580330604 1019043083 /nfs/dbraw/zinc/04/30/83/1019043083.db2.gz OJUBYZDNOFBXLQ-UHFFFAOYSA-N -1 0 330.380 3.752 20 0 EHADRM Cc1nc2ccc(NC(=O)c3cc(=O)c4ccccc4[n-]3)cc2s1 ZINC000052634173 1019134475 /nfs/dbraw/zinc/13/44/75/1019134475.db2.gz BGRLPRGMVSNXJY-UHFFFAOYSA-N -1 0 335.388 3.699 20 0 EHADRM Cn1nc(Br)c2cc(Nc3ccccc3C(=O)[O-])ccc21 ZINC001210967584 1019149425 /nfs/dbraw/zinc/14/94/25/1019149425.db2.gz KVSKXYVFBIXAIZ-UHFFFAOYSA-N -1 0 346.184 3.778 20 0 EHADRM Cc1c(NCc2cn(C)nc2-c2cccs2)cccc1C(=O)[O-] ZINC000340673611 1019152448 /nfs/dbraw/zinc/15/24/48/1019152448.db2.gz JUVPVZJXJHIJIQ-UHFFFAOYSA-N -1 0 327.409 3.767 20 0 EHADRM CCOc1c(CNc2cccc(C(=O)[O-])c2)c(C)nn1CC(C)C ZINC000340674076 1019154533 /nfs/dbraw/zinc/15/45/33/1019154533.db2.gz DVVHFIVGSPKNQM-UHFFFAOYSA-N -1 0 331.416 3.557 20 0 EHADRM Cc1c[nH]c2cccc(NC3([P@@](=O)([O-])O)Cc4ccccc4C3)c12 ZINC001167935861 1019208871 /nfs/dbraw/zinc/20/88/71/1019208871.db2.gz DNTHGSALAZUASQ-UHFFFAOYSA-N -1 0 342.335 3.561 20 0 EHADRM O=C([O-])c1ccnc(-c2cc(F)ccc2OC[C@@H]2CCCCO2)c1 ZINC000580451616 1019380832 /nfs/dbraw/zinc/38/08/32/1019380832.db2.gz JMHLLTMCZZQAJX-AWEZNQCLSA-N -1 0 331.343 3.534 20 0 EHADRM O=C(N=c1[n-]ncs1)N[C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000433622822 1019461918 /nfs/dbraw/zinc/46/19/18/1019461918.db2.gz SNJCTUSPMJDHKL-CYBMUJFWSA-N -1 0 336.848 3.666 20 0 EHADRM COc1ccc2c(c1)[C@H](C(=O)Nc1cc(C(=O)[O-])ccc1C)CCC2 ZINC000656234712 1019491209 /nfs/dbraw/zinc/49/12/09/1019491209.db2.gz OHHDNDHITZIZHR-MRXNPFEDSA-N -1 0 339.391 3.760 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)C[C@H]2OCc3ccccc32)cc1)C(=O)[O-] ZINC000656238124 1019510872 /nfs/dbraw/zinc/51/08/72/1019510872.db2.gz JPCZCSJKIOZGSX-FZKQIMNGSA-N -1 0 339.391 3.550 20 0 EHADRM CC(C)c1nnc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)s1 ZINC000283624517 1019550328 /nfs/dbraw/zinc/55/03/28/1019550328.db2.gz ZWYPWPTYNVMWOL-UHFFFAOYSA-N -1 0 332.212 3.926 20 0 EHADRM CC(C)(C)Oc1ccc(NC(=O)c2cccc(OCC(=O)[O-])c2)cc1 ZINC000262177620 1019555004 /nfs/dbraw/zinc/55/50/04/1019555004.db2.gz RCDOVGAEDSXLMS-UHFFFAOYSA-N -1 0 343.379 3.580 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)Cc1csc2ccccc12 ZINC000262226539 1019567924 /nfs/dbraw/zinc/56/79/24/1019567924.db2.gz RRWDSHMCGJRZKT-UHFFFAOYSA-N -1 0 333.453 3.985 20 0 EHADRM C[C@@H](CNC(=O)CCCc1cc(Cl)sc1Cl)CC(=O)[O-] ZINC000262254230 1019574729 /nfs/dbraw/zinc/57/47/29/1019574729.db2.gz SPYZTBBLNMSLQJ-MRVPVSSYSA-N -1 0 338.256 3.605 20 0 EHADRM CC[C@H](CC(=O)N1CCc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000262280968 1019580866 /nfs/dbraw/zinc/58/08/66/1019580866.db2.gz ZMBAIVHEFOSSOB-OAHLLOKOSA-N -1 0 337.419 3.853 20 0 EHADRM CCCN(C(=O)[C@@H]1CC[C@@H]1C(=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000262283057 1019583132 /nfs/dbraw/zinc/58/31/32/1019583132.db2.gz ZKNORXSEAWXQMB-CFVMTHIKSA-N -1 0 329.396 3.843 20 0 EHADRM CCc1c(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)[nH]c(C)c1C(C)=O ZINC000262498020 1019647075 /nfs/dbraw/zinc/64/70/75/1019647075.db2.gz KGZOZAUDJHORQS-UHFFFAOYSA-N -1 0 342.395 3.655 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@]23C[C@H]2CCCC3)ccc1Br ZINC000693245311 1019669397 /nfs/dbraw/zinc/66/93/97/1019669397.db2.gz SOIBWNKUYKXBLV-RFAUZJTJSA-N -1 0 338.201 3.666 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCCCN2C2CCCC2)c1 ZINC000564397595 1019717101 /nfs/dbraw/zinc/71/71/01/1019717101.db2.gz YUCURBYQGNNJRH-KRWDZBQOSA-N -1 0 344.455 3.721 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(-c3ccccc3F)o2)C1 ZINC000262776899 1019728008 /nfs/dbraw/zinc/72/80/08/1019728008.db2.gz ASVGYYBHFWSKPG-IBGZPJMESA-N -1 0 345.370 3.659 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1ccc(Cl)c2ccccc21 ZINC000262816767 1019738231 /nfs/dbraw/zinc/73/82/31/1019738231.db2.gz BIPRJUPQEBKCHO-COLVAYQJSA-N -1 0 331.799 3.781 20 0 EHADRM CO[C@H](C)c1nc(=N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)s[n-]1 ZINC000509930448 1019783447 /nfs/dbraw/zinc/78/34/47/1019783447.db2.gz YWCUPKQDWKYSME-INNHCVQGSA-N -1 0 344.267 3.942 20 0 EHADRM C[C@@H](NC(=O)CCCc1cc(Cl)sc1Cl)[C@H](C)C(=O)[O-] ZINC000263448317 1019907172 /nfs/dbraw/zinc/90/71/72/1019907172.db2.gz NQBCFWOMEYZGGA-JGVFFNPUSA-N -1 0 338.256 3.603 20 0 EHADRM CCCc1occc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC000263479664 1019914402 /nfs/dbraw/zinc/91/44/02/1019914402.db2.gz AIENYLQPRAITJP-HNNXBMFYSA-N -1 0 347.436 3.900 20 0 EHADRM C[C@@H]1C(=O)CC[C@H](C(=O)Nc2cc(F)cc(Cl)c2[O-])C1(C)C ZINC000275947523 1019962446 /nfs/dbraw/zinc/96/24/46/1019962446.db2.gz KBEPHHAJUJWUCF-PSASIEDQSA-N -1 0 327.783 3.765 20 0 EHADRM Cc1cc(-c2noc(-c3nc[n-]c3C(=O)c3ccccc3)n2)ccc1F ZINC000580917450 1020232949 /nfs/dbraw/zinc/23/29/49/1020232949.db2.gz CZRNETQTJSNKDA-UHFFFAOYSA-N -1 0 348.337 3.805 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000581017785 1020360971 /nfs/dbraw/zinc/36/09/71/1020360971.db2.gz WVJXIYULWBYHER-INIZCTEOSA-N -1 0 336.819 3.926 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@H](c1ccccc1)n1cccn1 ZINC000345616770 1020389501 /nfs/dbraw/zinc/38/95/01/1020389501.db2.gz DLIZEPWOWZXHFJ-INIZCTEOSA-N -1 0 345.761 3.609 20 0 EHADRM CO[C@H](C)c1nc(C)c(C(=O)Nc2cc(Cl)c([O-])cc2F)s1 ZINC000345658542 1020430893 /nfs/dbraw/zinc/43/08/93/1020430893.db2.gz PBUCQQGEAOBIOW-SSDOTTSWSA-N -1 0 344.795 3.909 20 0 EHADRM O=C([O-])CN(Cc1nc(C2CC2)cs1)Cc1ccc(Cl)cc1 ZINC000581137307 1020474431 /nfs/dbraw/zinc/47/44/31/1020474431.db2.gz PSJYTHJVFKLHGI-UHFFFAOYSA-N -1 0 336.844 3.761 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccccc2)s1)N1CCC[C@@H]1C1CCCC1 ZINC000548154569 1020512237 /nfs/dbraw/zinc/51/22/37/1020512237.db2.gz MDVUPJHXAVHRIF-OAHLLOKOSA-N -1 0 342.468 3.814 20 0 EHADRM CCC[C@H](C(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1)c1ccccc1 ZINC000236994861 1020513989 /nfs/dbraw/zinc/51/39/89/1020513989.db2.gz QRSUPOWERMHMTQ-JSGCOSHPSA-N -1 0 346.452 3.911 20 0 EHADRM C[C@@H](CNC(=O)N=c1[n-]nc(-c2ccccc2)s1)c1ccccc1 ZINC000548154637 1020515948 /nfs/dbraw/zinc/51/59/48/1020515948.db2.gz ADSBFYYOEWIGEH-ZDUSSCGKSA-N -1 0 338.436 3.552 20 0 EHADRM CC(C)(C)c1ccc(SCC(=O)[N-]OCc2cccnc2)cc1 ZINC000160821005 1020555922 /nfs/dbraw/zinc/55/59/22/1020555922.db2.gz QHAZHIHMEOQWKJ-UHFFFAOYSA-N -1 0 330.453 3.719 20 0 EHADRM COc1ccc(-c2ocnc2C(=O)Nc2ccc(Cl)cc2O)cc1 ZINC000581337481 1020707101 /nfs/dbraw/zinc/70/71/01/1020707101.db2.gz LXLJXQOPEJDNQB-UHFFFAOYSA-N -1 0 344.754 3.962 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1cccc2c1ccn2C(F)F ZINC000656487576 1020710684 /nfs/dbraw/zinc/71/06/84/1020710684.db2.gz VNPJTVWPAFTEMC-WDEREUQCSA-N -1 0 334.322 3.642 20 0 EHADRM C[C@](CC(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000656486932 1020711977 /nfs/dbraw/zinc/71/19/77/1020711977.db2.gz TWIXLJARKCJHCX-IECZYAKXSA-N -1 0 349.858 3.625 20 0 EHADRM CCC(CC)(NC(=O)N[C@H](C)c1cccc2ccccc21)C(=O)[O-] ZINC000581347297 1020724763 /nfs/dbraw/zinc/72/47/63/1020724763.db2.gz OXUIPZRGTJPDGW-CYBMUJFWSA-N -1 0 328.412 3.843 20 0 EHADRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)c1 ZINC000565984557 1020821794 /nfs/dbraw/zinc/82/17/94/1020821794.db2.gz XGWWXMMTHYLCGI-UHFFFAOYSA-N -1 0 344.358 3.826 20 0 EHADRM C[C@@H](c1ccccc1)[C@@H](NCc1csc(C(C)(C)C)n1)C(=O)[O-] ZINC000656569292 1020930988 /nfs/dbraw/zinc/93/09/88/1020930988.db2.gz NPMAMXKFUPMNTM-SWLSCSKDSA-N -1 0 332.469 3.787 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)NCc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000656596464 1020979346 /nfs/dbraw/zinc/97/93/46/1020979346.db2.gz GADMXHYKFITCQB-ZDUSSCGKSA-N -1 0 345.226 3.531 20 0 EHADRM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000276365282 1021106048 /nfs/dbraw/zinc/10/60/48/1021106048.db2.gz PZNJJBBUZSVJER-LLVKDONJSA-N -1 0 344.358 3.920 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2c[nH]c(-c3ccccc3)n2)c1 ZINC000436764355 1021213324 /nfs/dbraw/zinc/21/33/24/1021213324.db2.gz KUBKKTNNPPICBB-UHFFFAOYSA-N -1 0 335.363 3.627 20 0 EHADRM Cc1ccnc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c1C1CC1 ZINC000656738274 1021232692 /nfs/dbraw/zinc/23/26/92/1021232692.db2.gz IBTDAQPQSDTVTO-UHFFFAOYSA-N -1 0 334.416 3.824 20 0 EHADRM CC(C)[C@@H]1N(C(=O)c2s[n-]c(=O)c2Cl)CC12CCCCC2 ZINC000333698738 1021270260 /nfs/dbraw/zinc/27/02/60/1021270260.db2.gz DOBBYKBACUVSLP-LBPRGKRZSA-N -1 0 328.865 3.933 20 0 EHADRM C[C@H](c1ncc(C(C)(C)C)o1)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC000656756324 1021276672 /nfs/dbraw/zinc/27/66/72/1021276672.db2.gz ASGWLMLAWHIFPN-MXWKQRLJSA-N -1 0 348.365 3.618 20 0 EHADRM CCOC(=O)[C@@H](CCC(C)(C)C)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000436840702 1021284408 /nfs/dbraw/zinc/28/44/08/1021284408.db2.gz STGWLIVIZJKVFW-CYBMUJFWSA-N -1 0 341.835 3.533 20 0 EHADRM COc1ccc([C@H]2CCC[N@@H+]2Cc2csc(C(=O)[O-])c2)cc1F ZINC000656762526 1021291719 /nfs/dbraw/zinc/29/17/19/1021291719.db2.gz DVIKEGJSLJOPIH-CQSZACIVSA-N -1 0 335.400 3.931 20 0 EHADRM Cc1cc(CN2C[C@@H](c3cccc(F)c3)OCC2(C)C)oc1C(=O)[O-] ZINC000656765398 1021295122 /nfs/dbraw/zinc/29/51/22/1021295122.db2.gz LAKFZOFRKJWNEH-INIZCTEOSA-N -1 0 347.386 3.777 20 0 EHADRM CCCN(C[C@@H]1CCCCO1)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436859199 1021295988 /nfs/dbraw/zinc/29/59/88/1021295988.db2.gz RUSGBEQQGZYYHP-LBPRGKRZSA-N -1 0 329.799 3.606 20 0 EHADRM CN(C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-])[C@H]1CCCOC1 ZINC000436852647 1021296024 /nfs/dbraw/zinc/29/60/24/1021296024.db2.gz AXFYPMZJZOFTCK-HNNXBMFYSA-N -1 0 345.826 3.964 20 0 EHADRM CCSc1cc(CNC(=O)c2cc(F)cc(Cl)c2[O-])ccn1 ZINC000436860753 1021298907 /nfs/dbraw/zinc/29/89/07/1021298907.db2.gz HNGBHHOAROXMMI-UHFFFAOYSA-N -1 0 340.807 3.622 20 0 EHADRM CC(C)(C)[C@H]1CCN(C(=O)c2c([O-])cc(Cl)cc2Cl)C[C@H]1O ZINC000436861201 1021299079 /nfs/dbraw/zinc/29/90/79/1021299079.db2.gz JKGDGMBONBNARZ-GXFFZTMASA-N -1 0 346.254 3.568 20 0 EHADRM CC[C@@H]1CCCN(C(=O)c2cc(F)cc(Br)c2[O-])CC1 ZINC000436861056 1021299131 /nfs/dbraw/zinc/29/91/31/1021299131.db2.gz ZCLCFKWYZKUDHN-SNVBAGLBSA-N -1 0 344.224 3.946 20 0 EHADRM CC(C)(C)c1nc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)cs1 ZINC000656767019 1021299108 /nfs/dbraw/zinc/29/91/08/1021299108.db2.gz UITFSJXFBDANMG-ILXRZTDVSA-N -1 0 336.501 3.906 20 0 EHADRM COC(C)(C)CS(=O)(=O)[N-]c1ccccc1Oc1ccccc1 ZINC000439255131 1021299916 /nfs/dbraw/zinc/29/99/16/1021299916.db2.gz WMZDKBRSAQQEIK-UHFFFAOYSA-N -1 0 335.425 3.646 20 0 EHADRM CCC1(C)CCN(C(=O)c2cc(F)cc(Br)c2[O-])CC1 ZINC000436865436 1021303094 /nfs/dbraw/zinc/30/30/94/1021303094.db2.gz UALIANKFCGYODF-UHFFFAOYSA-N -1 0 344.224 3.946 20 0 EHADRM c1ccc(COc2cccc(CCN=c3[n-]nc(C4CC4)o3)c2)cc1 ZINC000342509198 1021303506 /nfs/dbraw/zinc/30/35/06/1021303506.db2.gz VDYOPPYFMDOARU-UHFFFAOYSA-N -1 0 335.407 3.603 20 0 EHADRM CC[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)c1ccc(OC)c(OC)c1 ZINC000436865963 1021303914 /nfs/dbraw/zinc/30/39/14/1021303914.db2.gz VNSJCAMWVYXDBT-CQSZACIVSA-N -1 0 349.814 3.944 20 0 EHADRM CCC(CC)(NC(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)C(=O)[O-] ZINC000342560019 1021309613 /nfs/dbraw/zinc/30/96/13/1021309613.db2.gz GTHWORHGJWPIPI-UHFFFAOYSA-N -1 0 343.210 3.848 20 0 EHADRM CN(CC1CCCC1)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000436857921 1021320691 /nfs/dbraw/zinc/32/06/91/1021320691.db2.gz MHDMNSCDWZGCTD-UHFFFAOYSA-N -1 0 330.197 3.556 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CCOc2cccc(C)c2C)c1 ZINC000436876374 1021328833 /nfs/dbraw/zinc/32/88/33/1021328833.db2.gz IAVRMFNPMJYGCD-UHFFFAOYSA-N -1 0 327.380 3.619 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2CC[C@@H](c3ccccc3)C[C@@H]2C)s1 ZINC000439342925 1021373066 /nfs/dbraw/zinc/37/30/66/1021373066.db2.gz HZMCJOHAFAGHAR-DZGCQCFKSA-N -1 0 344.484 3.713 20 0 EHADRM O=C(Nc1ccc2[nH]ccc2c1)c1cc(Br)ccc1O ZINC000436932745 1021395132 /nfs/dbraw/zinc/39/51/32/1021395132.db2.gz DQRQHDRZFCORKG-UHFFFAOYSA-N -1 0 331.169 3.888 20 0 EHADRM O=C(Nc1cccc2[nH]c(=O)oc21)c1c([O-])cc(Cl)cc1Cl ZINC000436937513 1021398495 /nfs/dbraw/zinc/39/84/95/1021398495.db2.gz ZCKKIRFZXKGZCL-UHFFFAOYSA-N -1 0 339.134 3.798 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)N(C)c3ccccc3C(C)C)cc2=O)cc1 ZINC000426377645 1021406833 /nfs/dbraw/zinc/40/68/33/1021406833.db2.gz NQCVRFFYMQDDGO-UHFFFAOYSA-N -1 0 349.434 3.874 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2nc(C)oc2-c2ccccc2)c1 ZINC000436947683 1021407686 /nfs/dbraw/zinc/40/76/86/1021407686.db2.gz HAXKPEJJKNDROX-UHFFFAOYSA-N -1 0 336.347 3.811 20 0 EHADRM CCCN(C(=O)c1c([O-])cccc1F)[C@H]1CCCc2cccnc21 ZINC000436973515 1021427876 /nfs/dbraw/zinc/42/78/76/1021427876.db2.gz TZGPRYGYUMXHPN-HNNXBMFYSA-N -1 0 328.387 3.856 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1ccn2c(Br)cnc2c1 ZINC001211621132 1032980590 /nfs/dbraw/zinc/98/05/90/1032980590.db2.gz YELTYULMCMERGZ-UHFFFAOYSA-N -1 0 346.184 3.847 20 0 EHADRM CO[C@@]1(C)CCCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C1 ZINC000437006213 1021463152 /nfs/dbraw/zinc/46/31/52/1021463152.db2.gz ZQFPQNDLHWQYLN-SFHVURJKSA-N -1 0 333.815 3.840 20 0 EHADRM CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccccc2C(C)(C)C)c1 ZINC000437002225 1021474063 /nfs/dbraw/zinc/47/40/63/1021474063.db2.gz MBJOBDZABLHAFR-UHFFFAOYSA-N -1 0 347.436 3.693 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@@H]3CC=CCC3)n2)cc1 ZINC000439522590 1021526097 /nfs/dbraw/zinc/52/60/97/1021526097.db2.gz JMIANEVKPJKOSQ-OAHLLOKOSA-N -1 0 325.412 3.540 20 0 EHADRM CCCOc1ccc([N-]S(=O)(=O)c2cccc(F)c2F)c(C)c1 ZINC000509611348 1021554229 /nfs/dbraw/zinc/55/42/29/1021554229.db2.gz PFSQAPXDJLTWAC-UHFFFAOYSA-N -1 0 341.379 3.863 20 0 EHADRM CC1(C)CC[C@H](CNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c2ccccc21 ZINC000439714344 1021658049 /nfs/dbraw/zinc/65/80/49/1021658049.db2.gz BZQYCOBSPOTXIW-BZUAXINKSA-N -1 0 343.467 3.849 20 0 EHADRM O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)c1cc(F)c(F)c([O-])c1F ZINC000437229370 1021665475 /nfs/dbraw/zinc/66/54/75/1021665475.db2.gz UMZCWLIOSSJZRE-JOYOIKCWSA-N -1 0 341.716 3.749 20 0 EHADRM CC(C)[C@H]1N(C(=O)N=c2[n-]nc(-c3ccccc3)s2)CC12CCC2 ZINC000516700421 1021667248 /nfs/dbraw/zinc/66/72/48/1021667248.db2.gz CWFFMTZBWCCITN-CQSZACIVSA-N -1 0 342.468 3.669 20 0 EHADRM CC1(C)CC[C@@H](CNC(=O)CC2(C(=O)[O-])CCC2)c2ccccc21 ZINC000439720174 1021670228 /nfs/dbraw/zinc/67/02/28/1021670228.db2.gz PSFMQBSGVDVJJP-AWEZNQCLSA-N -1 0 329.440 3.603 20 0 EHADRM Cc1cc(C(=O)Nc2cc(Cl)ccc2O)c(C)n1[C@H]1CCOC1 ZINC000528879965 1033001052 /nfs/dbraw/zinc/00/10/52/1033001052.db2.gz ZWPDJLPYBXVDGG-ZDUSSCGKSA-N -1 0 334.803 3.678 20 0 EHADRM CC(C)c1cnc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)s1 ZINC000437300858 1021715262 /nfs/dbraw/zinc/71/52/62/1021715262.db2.gz CEODKLYLVVRXHG-UHFFFAOYSA-N -1 0 336.482 3.946 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000516770539 1021717919 /nfs/dbraw/zinc/71/79/19/1021717919.db2.gz NRHBAFYRLLGIQU-NOZJJQNGSA-N -1 0 335.400 3.532 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ncc(C(C)(C)C)s2)ccc1F ZINC000437324114 1021731818 /nfs/dbraw/zinc/73/18/18/1021731818.db2.gz IGFAGCOWZBHRFN-UHFFFAOYSA-N -1 0 328.434 3.689 20 0 EHADRM CC[C@@H](C)[C@H](C)N(C(=O)c1nn(-c2cccc(F)c2)cc1[O-])C1CC1 ZINC000550313104 1021744502 /nfs/dbraw/zinc/74/45/02/1021744502.db2.gz HSPAXTBZBSRPCE-OLZOCXBDSA-N -1 0 345.418 3.756 20 0 EHADRM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)c1cc(F)c([O-])c(F)c1 ZINC000437359773 1021770284 /nfs/dbraw/zinc/77/02/84/1021770284.db2.gz RHGAMDJNARCXEN-LKFCYVNXSA-N -1 0 341.716 3.749 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)Nc1ccc(-c2cccc(F)c2)c(F)c1 ZINC000516842153 1021786314 /nfs/dbraw/zinc/78/63/14/1021786314.db2.gz CYQRSJQNTHSNDV-UHFFFAOYSA-N -1 0 348.349 3.959 20 0 EHADRM Cc1cc(Oc2ccc(NC(=O)c3c([O-])cccc3F)cc2)n[nH]1 ZINC000188078635 1021792730 /nfs/dbraw/zinc/79/27/30/1021792730.db2.gz DNVKXGIWGAOLOZ-UHFFFAOYSA-N -1 0 327.315 3.607 20 0 EHADRM O=S(=O)([N-]c1nc2ccccc2s1)c1cc(F)c(F)c(F)c1 ZINC000437405598 1021799467 /nfs/dbraw/zinc/79/94/67/1021799467.db2.gz MBJPZTOSIUMKHW-UHFFFAOYSA-N -1 0 344.339 3.514 20 0 EHADRM CC(C)c1ccc(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)s1 ZINC000439916259 1021822634 /nfs/dbraw/zinc/82/26/34/1021822634.db2.gz ZIDHGDXDRBKZSM-CQSZACIVSA-N -1 0 329.421 3.696 20 0 EHADRM Cc1cc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])ccc1Cl ZINC000439925102 1021831377 /nfs/dbraw/zinc/83/13/77/1021831377.db2.gz UHJTXFBEFWWXGT-MLGOLLRUSA-N -1 0 331.799 3.840 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1ccc(Cl)c(C)c1 ZINC000439933641 1021843646 /nfs/dbraw/zinc/84/36/46/1021843646.db2.gz YSHLFVLAWOFADU-MRXNPFEDSA-N -1 0 331.799 3.903 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000581834390 1021851024 /nfs/dbraw/zinc/85/10/24/1021851024.db2.gz NAKZBYNZLLUKMR-JSGCOSHPSA-N -1 0 325.330 3.672 20 0 EHADRM CCc1oc(C(=O)N(C)[C@H](C)c2cc(C)ccc2C)cc1C(=O)[O-] ZINC000559152491 1021897794 /nfs/dbraw/zinc/89/77/94/1021897794.db2.gz NTNISARZQSSSTJ-CYBMUJFWSA-N -1 0 329.396 3.990 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)c2nn(-c3ccccc3F)cc2[O-])cc1 ZINC000519169228 1021908468 /nfs/dbraw/zinc/90/84/68/1021908468.db2.gz SMDJXVAUKIGBRK-ZDUSSCGKSA-N -1 0 339.370 3.516 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)NCCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000327775149 1033017788 /nfs/dbraw/zinc/01/77/88/1033017788.db2.gz WZXBKNLCPAFQGD-HNAYVOBHSA-N -1 0 339.435 3.873 20 0 EHADRM CCCCC[C@H]1CCCN1C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000550320047 1021954475 /nfs/dbraw/zinc/95/44/75/1021954475.db2.gz YZVKUBLBWKBAMK-HNNXBMFYSA-N -1 0 345.418 3.902 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N(Cc2ccccc2)CC(C)C)s1 ZINC000520174713 1021990635 /nfs/dbraw/zinc/99/06/35/1021990635.db2.gz WGWAGJAFNCTAOT-UHFFFAOYSA-N -1 0 332.473 3.603 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000655565600 1021998998 /nfs/dbraw/zinc/99/89/98/1021998998.db2.gz YOQGHJRLPQOGOX-GFCCVEGCSA-N -1 0 329.849 3.539 20 0 EHADRM CN(C(=O)c1cccc(Br)c1[O-])[C@H]1CCc2ccccc21 ZINC000519311955 1022003609 /nfs/dbraw/zinc/00/36/09/1022003609.db2.gz RDZFXEBWTYRKTK-HNNXBMFYSA-N -1 0 346.224 3.914 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2ccco2)cc1Cc1ccccc1 ZINC000437674290 1022046544 /nfs/dbraw/zinc/04/65/44/1022046544.db2.gz MTCRZKWNGOHWMJ-UHFFFAOYSA-N -1 0 343.404 3.680 20 0 EHADRM Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc([O-])c(Cl)c1 ZINC000171122044 1033026557 /nfs/dbraw/zinc/02/65/57/1033026557.db2.gz BTZCJZFUIGZHRT-UHFFFAOYSA-N -1 0 328.799 3.808 20 0 EHADRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000440280048 1022064531 /nfs/dbraw/zinc/06/45/31/1022064531.db2.gz HMHMIZSRLWRVTR-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM CSc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1Cl ZINC000517145717 1022069735 /nfs/dbraw/zinc/06/97/35/1022069735.db2.gz QDJXALUCAWOXSL-KOLCDFICSA-N -1 0 342.848 3.636 20 0 EHADRM Cc1ccc(NC(=O)c2cn[nH]n2)cc1OCc1cccc(Cl)c1 ZINC000188346053 1022090523 /nfs/dbraw/zinc/09/05/23/1022090523.db2.gz ZNUZHHBNJBGDBC-UHFFFAOYSA-N -1 0 342.786 3.598 20 0 EHADRM Cc1cc(C=O)c([O-])c(C(=O)Nc2ccccc2N(C)C(C)C)c1 ZINC001625871753 1022129929 /nfs/dbraw/zinc/12/99/29/1022129929.db2.gz TXMKFMGTFMLHBE-UHFFFAOYSA-N -1 0 326.396 3.610 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N[C@@H]3CCC[C@]3(C)C(=O)[O-])s2)o1 ZINC000659239338 1022132162 /nfs/dbraw/zinc/13/21/62/1022132162.db2.gz LAFPQMUUOFVQCV-PBHICJAKSA-N -1 0 333.409 3.690 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N2CCCCC[C@H]2CC(C)C)s1 ZINC000607193567 1033035335 /nfs/dbraw/zinc/03/53/35/1033035335.db2.gz BNZYRWJIGPTCAX-LBPRGKRZSA-N -1 0 342.534 3.895 20 0 EHADRM Cc1cc(C)cc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000048499657 1022443698 /nfs/dbraw/zinc/44/36/98/1022443698.db2.gz VRDLABIYWWBONQ-UHFFFAOYSA-N -1 0 329.830 3.712 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)C[C@@H](C)c2ccco2)c1C ZINC000528907095 1033052460 /nfs/dbraw/zinc/05/24/60/1033052460.db2.gz DGZIGPSMNGXXNV-CYBMUJFWSA-N -1 0 349.452 3.512 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cccc(CSC)c2)s1 ZINC000517595228 1022467366 /nfs/dbraw/zinc/46/73/66/1022467366.db2.gz TWVQGRJEIDNCQO-UHFFFAOYSA-N -1 0 327.496 3.974 20 0 EHADRM O=C(N=c1nc(-c2cccnc2)[n-]s1)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000328782241 1022499487 /nfs/dbraw/zinc/49/94/87/1022499487.db2.gz GCEPOJIMTFBLJM-HZSPNIEDSA-N -1 0 342.468 3.567 20 0 EHADRM Cc1[nH]c2ccccc2c1CC(=O)N[C@@H](CC(=O)[O-])C1CCCCC1 ZINC000346008254 1022533128 /nfs/dbraw/zinc/53/31/28/1022533128.db2.gz WMFZLXAVRNCETQ-SFHVURJKSA-N -1 0 342.439 3.559 20 0 EHADRM Cc1ccc(Br)cc1NC(=O)c1s[n-]c(=O)c1Cl ZINC000550139174 1022574583 /nfs/dbraw/zinc/57/45/83/1022574583.db2.gz JUMVPMYGTIXRAH-UHFFFAOYSA-N -1 0 347.621 3.825 20 0 EHADRM c1c(CN=c2nc(C3CCCC3)[n-]s2)onc1-c1ccccc1 ZINC000517728126 1022615968 /nfs/dbraw/zinc/61/59/68/1022615968.db2.gz GNRUNZMIHPTFBC-UHFFFAOYSA-N -1 0 326.425 3.885 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccnn2[C@H](C)CC(C)C)sc1C ZINC000330664776 1022631396 /nfs/dbraw/zinc/63/13/96/1022631396.db2.gz WEBYRLRXAQQZSZ-GFCCVEGCSA-N -1 0 341.502 3.969 20 0 EHADRM Cc1cc(S(=O)(=O)[N-][C@@](C)(C2CC2)C(F)(F)F)sc1Cl ZINC000473759476 1022675213 /nfs/dbraw/zinc/67/52/13/1022675213.db2.gz CYFUDUNMXMHQEZ-JTQLQIEISA-N -1 0 347.811 3.719 20 0 EHADRM CCCCc1cc([N-]S(=O)(=O)c2cc(C)c(Cl)s2)n[nH]1 ZINC000473758921 1022693781 /nfs/dbraw/zinc/69/37/81/1022693781.db2.gz DGGCXCSBSDTELD-UHFFFAOYSA-N -1 0 333.866 3.576 20 0 EHADRM C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000330879882 1022694065 /nfs/dbraw/zinc/69/40/65/1022694065.db2.gz YBAVMNIJXUNCBG-GXSJLCMTSA-N -1 0 348.226 3.612 20 0 EHADRM CN(C)Cc1ccc(NC(=O)c2c([O-])cc(F)cc2F)cc1Cl ZINC000684509823 1022712907 /nfs/dbraw/zinc/71/29/07/1022712907.db2.gz JOYXKLHVMQQLNR-UHFFFAOYSA-N -1 0 340.757 3.638 20 0 EHADRM CC(C)(C)c1ccc(Cl)cc1NC(=O)N1CCC(C(=O)[O-])CC1 ZINC000669505796 1033077370 /nfs/dbraw/zinc/07/73/70/1033077370.db2.gz BWGMKRBABSQZGB-UHFFFAOYSA-N -1 0 338.835 3.966 20 0 EHADRM CCC1(C)CCN(C(=O)N=c2nc(-c3ccccc3)[n-]s2)CC1 ZINC000510603600 1022727672 /nfs/dbraw/zinc/72/76/72/1022727672.db2.gz ZCHRYKRICDFPMT-UHFFFAOYSA-N -1 0 330.457 3.671 20 0 EHADRM C/C=C\C[C@@H](NC(=O)Nc1ccc(C)c(C(F)(F)F)c1)C(=O)[O-] ZINC000517831591 1022729276 /nfs/dbraw/zinc/72/92/76/1022729276.db2.gz YYKYTVLTMLVKFX-VSQXVHSFSA-N -1 0 330.306 3.555 20 0 EHADRM Cc1cc(N2CCCCCC2)ccc1NC(=O)NCCCCC(=O)[O-] ZINC000669506077 1033075596 /nfs/dbraw/zinc/07/55/96/1033075596.db2.gz RJOUGXBCRCTGNY-UHFFFAOYSA-N -1 0 347.459 3.752 20 0 EHADRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC2 ZINC000146561568 1033077927 /nfs/dbraw/zinc/07/79/27/1033077927.db2.gz PYVUHCIWLDSEOZ-UHFFFAOYSA-N -1 0 337.828 3.638 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000391781088 1022760282 /nfs/dbraw/zinc/76/02/82/1022760282.db2.gz ONIIUDODDHPPRM-IUODEOHRSA-N -1 0 327.380 3.981 20 0 EHADRM CCC[C@H](C(=O)[O-])[S@](=O)Cc1ccccc1OCc1ccccc1 ZINC000593931899 1033078907 /nfs/dbraw/zinc/07/89/07/1033078907.db2.gz PGIWMBHTMWGWBS-HOYKHHGWSA-N -1 0 346.448 3.768 20 0 EHADRM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000517937406 1022862591 /nfs/dbraw/zinc/86/25/91/1022862591.db2.gz SEULITXRNXPRKG-UHFFFAOYSA-N -1 0 335.734 3.867 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1cn(-c2cccc(Cl)c2)nn1 ZINC000188927896 1022933519 /nfs/dbraw/zinc/93/35/19/1022933519.db2.gz RXBUVOPBLTXIHY-UHFFFAOYSA-N -1 0 349.177 3.532 20 0 EHADRM CC(C)[C@H](CC1CCCCC1)C(=O)N=c1cc([C@H]2CCCO2)[nH][nH]1 ZINC000473846993 1022951021 /nfs/dbraw/zinc/95/10/21/1022951021.db2.gz LAHNIDGXZIPWFJ-DOTOQJQBSA-N -1 0 333.476 3.864 20 0 EHADRM O=C([O-])[C@@H](CC1CCCC1)NCc1ncc(-c2ccccc2)s1 ZINC000426719661 1022985582 /nfs/dbraw/zinc/98/55/82/1022985582.db2.gz INMYAMGPBNLUDE-OAHLLOKOSA-N -1 0 330.453 3.933 20 0 EHADRM COc1ccc2oc(CN[C@@H](C(=O)[O-])c3cccc(C)c3C)cc2c1 ZINC000426734992 1023004993 /nfs/dbraw/zinc/00/49/93/1023004993.db2.gz CMENCQMAMSTHHF-LJQANCHMSA-N -1 0 339.391 3.974 20 0 EHADRM Cc1ccc(C[NH2+][C@H](CC(=O)[O-])c2cnn(-c3ccccc3)c2)cc1C ZINC000426752500 1023022738 /nfs/dbraw/zinc/02/27/38/1023022738.db2.gz AKHXEPTWVWGYBZ-HXUWFJFHSA-N -1 0 349.434 3.795 20 0 EHADRM CC(C)COc1cccc(CN[C@H](C(=O)[O-])c2c(F)cccc2F)c1 ZINC000426751388 1023023233 /nfs/dbraw/zinc/02/32/33/1023023233.db2.gz VNVKZMOQWMTGGI-SFHVURJKSA-N -1 0 349.377 3.915 20 0 EHADRM CO[C@H](C)c1nc(=NC[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)s[n-]1 ZINC000509550635 1023028230 /nfs/dbraw/zinc/02/82/30/1023028230.db2.gz ZINWOJHJVRJPKT-VNQPRFMTSA-N -1 0 347.484 3.556 20 0 EHADRM O=C(N=c1nc(-c2ccccc2Cl)[n-]s1)N[C@H]1CC12CCCC2 ZINC000429604411 1023031248 /nfs/dbraw/zinc/03/12/48/1023031248.db2.gz XHLRSVFGPZYZIH-LBPRGKRZSA-N -1 0 348.859 3.735 20 0 EHADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C)cc(F)c1 ZINC000476258903 1033095680 /nfs/dbraw/zinc/09/56/80/1033095680.db2.gz JYADTVUIENSRNM-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NCc2cccc3c2OC(C)(C)C3)o1 ZINC000426771093 1023035271 /nfs/dbraw/zinc/03/52/71/1023035271.db2.gz YRVNOZJGNJADFS-OAHLLOKOSA-N -1 0 329.396 3.607 20 0 EHADRM CC[C@@H](Cc1ccc(Cl)cc1)N=c1nc([C@@H](C)OC)[n-]s1 ZINC000509546399 1023037425 /nfs/dbraw/zinc/03/74/25/1023037425.db2.gz VQFMHHOZWSHICR-MFKMUULPSA-N -1 0 325.865 3.754 20 0 EHADRM COc1ccccc1[C@H](NCc1cc2c(ccc(C)c2C)[nH]1)C(=O)[O-] ZINC000426817226 1023062709 /nfs/dbraw/zinc/06/27/09/1023062709.db2.gz ODELUAVPHZJDLG-IBGZPJMESA-N -1 0 338.407 3.709 20 0 EHADRM CO[C@H](C)c1nc(=NCCc2cccc(-c3ccccc3)c2)s[n-]1 ZINC000509588875 1023093484 /nfs/dbraw/zinc/09/34/84/1023093484.db2.gz YYBCDZAIMJZCGV-CQSZACIVSA-N -1 0 339.464 3.989 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1cc(Cl)ccc1N1CCOCC1 ZINC001211622705 1033104989 /nfs/dbraw/zinc/10/49/89/1033104989.db2.gz KZMXNNOJMFPEGN-UHFFFAOYSA-N -1 0 346.814 3.927 20 0 EHADRM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(C(C)(C)C)no1 ZINC000426210712 1023110534 /nfs/dbraw/zinc/11/05/34/1023110534.db2.gz NKHPPNQAPNGDCV-UHFFFAOYSA-N -1 0 328.821 3.735 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000659240384 1023135421 /nfs/dbraw/zinc/13/54/21/1023135421.db2.gz RPMXZNSSWYNMMR-RJVJFLMVSA-N -1 0 335.366 3.505 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N[C@@H](C)c2cc(C)oc2C)s1 ZINC000343283029 1023171125 /nfs/dbraw/zinc/17/11/25/1023171125.db2.gz NGOMVXGJMUSBQH-NSHDSACASA-N -1 0 336.461 3.785 20 0 EHADRM CCc1ccc(C(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)c(O)c1 ZINC000190360757 1023194539 /nfs/dbraw/zinc/19/45/39/1023194539.db2.gz BGZLBXKUQMFQET-IFXJQAMLSA-N -1 0 325.408 3.557 20 0 EHADRM O=C(N=c1cc(-c2ccccc2)[nH][nH]1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000439023172 1023212515 /nfs/dbraw/zinc/21/25/15/1023212515.db2.gz UTFJDPPFMDENCT-UONOGXRCSA-N -1 0 339.345 3.519 20 0 EHADRM O=C(N=c1cc(-c2ccccc2)[nH][nH]1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000439023171 1023213441 /nfs/dbraw/zinc/21/34/41/1023213441.db2.gz UTFJDPPFMDENCT-KGLIPLIRSA-N -1 0 339.345 3.519 20 0 EHADRM CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC000507282810 1023230329 /nfs/dbraw/zinc/23/03/29/1023230329.db2.gz JVPSHGIZLZSXRL-JHJVBQTASA-N -1 0 344.238 3.542 20 0 EHADRM O=C([O-])[C@H]1CC[C@@H]1C(=O)Nc1ccccc1Nc1c(F)cccc1F ZINC000507311121 1023238581 /nfs/dbraw/zinc/23/85/81/1023238581.db2.gz YASVJFQBPMQHOH-QWRGUYRKSA-N -1 0 346.333 3.758 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2c[nH]nc2-c2ccccc2)c(C)s1 ZINC000341783232 1023314989 /nfs/dbraw/zinc/31/49/89/1023314989.db2.gz QWPCLCNBGZGTEX-UHFFFAOYSA-N -1 0 333.438 3.556 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3cncnc3)cc2)s1 ZINC000431177732 1023386164 /nfs/dbraw/zinc/38/61/64/1023386164.db2.gz YUXIDCLSCHBLGV-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM CC(C)OC(=O)[C@H](C)N(C)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000092602014 1023464089 /nfs/dbraw/zinc/46/40/89/1023464089.db2.gz WGHJWSUDLCWGQV-NSHDSACASA-N -1 0 349.814 3.611 20 0 EHADRM Cc1cc(Cl)c(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1C ZINC000431223177 1023534875 /nfs/dbraw/zinc/53/48/75/1023534875.db2.gz ZTDMSZLTEURCLZ-RCBQFDQVSA-N -1 0 335.831 3.815 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1ccc(N2CCOCC2)c(C)c1 ZINC001211623008 1033146343 /nfs/dbraw/zinc/14/63/43/1033146343.db2.gz UEAHMEPFDNNRPE-UHFFFAOYSA-N -1 0 326.396 3.582 20 0 EHADRM Cc1ccc([C@H](NCc2ccc(CSC(F)F)o2)C(=O)[O-])cc1 ZINC000277033139 1023712609 /nfs/dbraw/zinc/71/26/09/1023712609.db2.gz PVIAKJAJXPNSNC-AWEZNQCLSA-N -1 0 341.379 3.959 20 0 EHADRM CCCCCOc1ccc(CNCc2nc(C(=O)[O-])cs2)cc1 ZINC000277128309 1023808039 /nfs/dbraw/zinc/80/80/39/1023808039.db2.gz BIXVCNUHOFRXMP-UHFFFAOYSA-N -1 0 334.441 3.700 20 0 EHADRM CCC(=O)c1cccc(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])c1 ZINC000574473605 1033165715 /nfs/dbraw/zinc/16/57/15/1033165715.db2.gz YKSGFPVXPKCNJY-MRXNPFEDSA-N -1 0 346.427 3.824 20 0 EHADRM CCc1c2ccccc2oc1C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000909437163 1023971657 /nfs/dbraw/zinc/97/16/57/1023971657.db2.gz XWGUSEJXYBYHKV-UHFFFAOYSA-N -1 0 329.396 3.712 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(F)cc3cccnc32)cc1Cl ZINC000190606391 1023972136 /nfs/dbraw/zinc/97/21/36/1023972136.db2.gz USSYGNUFYXAFMM-UHFFFAOYSA-N -1 0 344.729 3.978 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)no2)c1Cl ZINC000181134931 1023993172 /nfs/dbraw/zinc/99/31/72/1023993172.db2.gz IXSWGCWKGDURDL-UHFFFAOYSA-N -1 0 328.821 3.735 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N(Cc2ccccc2)C(C)C)s1 ZINC000513962273 1024009806 /nfs/dbraw/zinc/00/98/06/1024009806.db2.gz USNDIXZGQPIZPU-UHFFFAOYSA-N -1 0 336.486 3.515 20 0 EHADRM Cc1ccc(-c2[n-][nH]c(=NC(=O)c3cccc(-n4cccc4)c3)c2C)o1 ZINC000434435719 1024043532 /nfs/dbraw/zinc/04/35/32/1024043532.db2.gz XLXNTDADTXLCQX-UHFFFAOYSA-N -1 0 346.390 3.751 20 0 EHADRM CC(=O)Nc1ccc(CNc2cc(C(=O)[O-])ccc2OC(C)C)cc1 ZINC000417561497 1024043829 /nfs/dbraw/zinc/04/38/29/1024043829.db2.gz DKJRVGNEWIKHKV-UHFFFAOYSA-N -1 0 342.395 3.743 20 0 EHADRM Cc1ccc(-c2[n-][nH]c(=NC(=O)[C@H](C)c3ccc(F)c(F)c3)c2C)o1 ZINC000434441732 1024049077 /nfs/dbraw/zinc/04/90/77/1024049077.db2.gz SBGIDCILAFPLPN-SNVBAGLBSA-N -1 0 345.349 3.729 20 0 EHADRM O=C(NC[C@H]1CC[C@H](O)C1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000191317509 1024056327 /nfs/dbraw/zinc/05/63/27/1024056327.db2.gz CVGOJDIGUZLYMT-WFASDCNBSA-N -1 0 345.826 3.603 20 0 EHADRM Cc1cc(C)cc(C[C@@H](NCc2ncc(C(C)(C)C)s2)C(=O)[O-])c1 ZINC000417568292 1024073568 /nfs/dbraw/zinc/07/35/68/1024073568.db2.gz KGKPBYQLNCVIMK-OAHLLOKOSA-N -1 0 346.496 3.843 20 0 EHADRM Cc1cc(-c2ccccc2OC[C@@H]2CCOC2)ccc1CC(=O)[O-] ZINC000657204125 1024082662 /nfs/dbraw/zinc/08/26/62/1024082662.db2.gz RZAKEJDTGNFWTP-OAHLLOKOSA-N -1 0 326.392 3.704 20 0 EHADRM COCCOCc1cccc(-c2ccc(C(=O)[O-])c(SC)c2)c1 ZINC000657203732 1024084316 /nfs/dbraw/zinc/08/43/16/1024084316.db2.gz ZOFLEQGKVASLQA-UHFFFAOYSA-N -1 0 332.421 3.937 20 0 EHADRM Cc1c(C(=O)[O-])cncc1-c1cc(F)ccc1OC[C@@H]1CCCCO1 ZINC000657204854 1024085052 /nfs/dbraw/zinc/08/50/52/1024085052.db2.gz STSMTAFUKIJBFW-AWEZNQCLSA-N -1 0 345.370 3.842 20 0 EHADRM O=C([O-])C1(S(=O)(=O)c2ccc(-c3cccc(F)c3)cc2)CCCC1 ZINC000657205037 1024085516 /nfs/dbraw/zinc/08/55/16/1024085516.db2.gz PESMXVJSEHCVLB-UHFFFAOYSA-N -1 0 348.395 3.664 20 0 EHADRM Cc1ccc(-c2cc(F)ccc2OC[C@@H]2CCCCO2)nc1C(=O)[O-] ZINC000657204871 1024088582 /nfs/dbraw/zinc/08/85/82/1024088582.db2.gz WAZPBSMRCSTGMS-AWEZNQCLSA-N -1 0 345.370 3.842 20 0 EHADRM CC(C)(C)c1ccccc1-c1cccc(S(=O)(=O)CC(=O)[O-])c1 ZINC000657205627 1024096110 /nfs/dbraw/zinc/09/61/10/1024096110.db2.gz AELGYNMUOQUFDL-UHFFFAOYSA-N -1 0 332.421 3.509 20 0 EHADRM COCCOc1cccc(-c2c(C)n(CC(=O)[O-])c3ccccc32)c1 ZINC000657204632 1024096850 /nfs/dbraw/zinc/09/68/50/1024096850.db2.gz XVYLGPNWHPCWHB-UHFFFAOYSA-N -1 0 339.391 3.727 20 0 EHADRM Cc1ccc(OCCC(=O)[O-])c(-c2cncc(C(F)(F)F)c2)c1 ZINC000657206388 1024128308 /nfs/dbraw/zinc/12/83/08/1024128308.db2.gz YRSFYTSNOYRTAY-UHFFFAOYSA-N -1 0 325.286 3.929 20 0 EHADRM COc1cc(-c2cccc3c2OCCCO3)ccc1CCC(=O)[O-] ZINC000657207720 1024131368 /nfs/dbraw/zinc/13/13/68/1024131368.db2.gz QIMWPFBUDVUNBH-UHFFFAOYSA-N -1 0 328.364 3.541 20 0 EHADRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1oc2c(ccc3ccccc23)c1C ZINC000785092921 1024133181 /nfs/dbraw/zinc/13/31/81/1024133181.db2.gz IEFLMRWTUCNLAU-LLVKDONJSA-N -1 0 345.420 3.753 20 0 EHADRM CC[C@@H](Cc1ccc(NCc2ccc3c(c2)OCCO3)cc1)C(=O)[O-] ZINC000417610145 1024166826 /nfs/dbraw/zinc/16/68/26/1024166826.db2.gz MNHKTPBBKMLSMT-INIZCTEOSA-N -1 0 341.407 3.723 20 0 EHADRM CO[C@H](C)c1nc(=N[C@H](C)C2(c3ccccc3)CCCC2)s[n-]1 ZINC000509626653 1024199790 /nfs/dbraw/zinc/19/97/90/1024199790.db2.gz SUHQLSIZFVKKCQ-ZIAGYGMSSA-N -1 0 331.485 3.980 20 0 EHADRM O=C([O-])COc1cccc(/C=C\c2ncc(Br)s2)c1 ZINC000434624588 1024220508 /nfs/dbraw/zinc/22/05/08/1024220508.db2.gz AIJRHCDURLZSKT-PLNGDYQASA-N -1 0 340.198 3.539 20 0 EHADRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cc(F)cc(Cl)c1 ZINC000434628720 1024229303 /nfs/dbraw/zinc/22/93/03/1024229303.db2.gz TYGCURWLVMRGSQ-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM CC[C@@H](CSc1nc(=O)cc([O-])n1C1CCCC1)CC(F)F ZINC000657243198 1024275154 /nfs/dbraw/zinc/27/51/54/1024275154.db2.gz MNQPPECYRFVCHL-SNVBAGLBSA-N -1 0 332.416 3.838 20 0 EHADRM Cc1ccc(-n2cc(NC(=O)c3cc(F)c([O-])c(F)c3)cn2)c(C)c1 ZINC000191404752 1024307415 /nfs/dbraw/zinc/30/74/15/1024307415.db2.gz XGVDLSAMCBTIDI-UHFFFAOYSA-N -1 0 343.333 3.725 20 0 EHADRM Cc1ccnc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)c1 ZINC000520644205 1024338019 /nfs/dbraw/zinc/33/80/19/1024338019.db2.gz LHNLVKJSERLUSO-UHFFFAOYSA-N -1 0 334.441 3.616 20 0 EHADRM Cc1nc([C@H](C)Sc2n[n-]c(=Nc3cccc(C)c3C)s2)no1 ZINC000430104633 1024351545 /nfs/dbraw/zinc/35/15/45/1024351545.db2.gz RYBHWNCKLQNJKA-JTQLQIEISA-N -1 0 347.469 3.865 20 0 EHADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2o1 ZINC000191535359 1024403363 /nfs/dbraw/zinc/40/33/63/1024403363.db2.gz NSIBEIZOACXVRA-MRXNPFEDSA-N -1 0 337.375 3.639 20 0 EHADRM O=C(NCCC[C@H]1CCCCO1)c1c([O-])cc(Cl)cc1Cl ZINC000184347005 1024404862 /nfs/dbraw/zinc/40/48/62/1024404862.db2.gz KVASMBZDWDWUOX-LLVKDONJSA-N -1 0 332.227 3.778 20 0 EHADRM O=C([O-])[C@H]1CC[C@@H](NC(=O)C2(Cc3cccc(Cl)c3)CCCC2)C1 ZINC000194464976 1024415390 /nfs/dbraw/zinc/41/53/90/1024415390.db2.gz JYQLKHOBCGZSGZ-GOEBONIOSA-N -1 0 349.858 3.812 20 0 EHADRM Cc1nc(C(C)(C)NC(=O)c2cc(F)c([O-])c(Cl)c2)sc1C ZINC000184425400 1024418772 /nfs/dbraw/zinc/41/87/72/1024418772.db2.gz HDAMGWJOWHHNSF-UHFFFAOYSA-N -1 0 342.823 3.923 20 0 EHADRM CCc1nc(SCC(=O)c2cc(F)c(C)cc2F)[nH]c(=O)c1C ZINC000657263770 1024425746 /nfs/dbraw/zinc/42/57/46/1024425746.db2.gz GPKZGFAEICTRPF-UHFFFAOYSA-N -1 0 338.379 3.615 20 0 EHADRM CC(C)Cc1ncc(CN[C@@H](C(=O)[O-])c2c(F)cccc2F)s1 ZINC000277284706 1024449419 /nfs/dbraw/zinc/44/94/19/1024449419.db2.gz MCDXOXRIDMJWLA-OAHLLOKOSA-N -1 0 340.395 3.535 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2CCC[C@@H](F)C2)cc1 ZINC000425229064 1024465971 /nfs/dbraw/zinc/46/59/71/1024465971.db2.gz AYCFLHCKMGNHFV-GUTXKFCHSA-N -1 0 339.432 3.569 20 0 EHADRM O=C([O-])[C@@H](C[C@@H]1CCCc2ccccc21)NC(=O)[C@H]1CCC[C@@H](F)C1 ZINC000425251436 1024515558 /nfs/dbraw/zinc/51/55/58/1024515558.db2.gz HMLMCAAFHSXHED-LISAXSMJSA-N -1 0 347.430 3.594 20 0 EHADRM FC(F)c1n[n-]c(=N[C@H]2CCOc3c(Cl)c(Cl)ccc32)o1 ZINC000366611293 1024523954 /nfs/dbraw/zinc/52/39/54/1024523954.db2.gz LWHNZWYVHFWGFO-ZETCQYMHSA-N -1 0 336.125 3.672 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)[nH]n2)cc1 ZINC000434969589 1024531448 /nfs/dbraw/zinc/53/14/48/1024531448.db2.gz RTXVCTSTYYICJH-UHFFFAOYSA-N -1 0 345.449 3.599 20 0 EHADRM CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2cccc(F)c2F)cc1 ZINC000607615946 1033217695 /nfs/dbraw/zinc/21/76/95/1033217695.db2.gz FDQFZCXEQUASCF-UHFFFAOYSA-N -1 0 341.379 3.943 20 0 EHADRM Cc1nc2ccc(NC(=O)c3cccc(Br)c3[O-])cc2o1 ZINC000520735613 1024568602 /nfs/dbraw/zinc/56/86/02/1024568602.db2.gz OSJYATWJFYSEMI-UHFFFAOYSA-N -1 0 347.168 3.857 20 0 EHADRM Cc1nn(C)c([N-]S(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)c1C ZINC000107037252 1024586136 /nfs/dbraw/zinc/58/61/36/1024586136.db2.gz RUWCORBOTVFADM-UHFFFAOYSA-N -1 0 349.500 3.752 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)CCCOCc2ccccc2)cc1 ZINC000262134813 1024596450 /nfs/dbraw/zinc/59/64/50/1024596450.db2.gz KFXWUFNPNHAXGD-UHFFFAOYSA-N -1 0 341.407 3.639 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1Cl)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000514630764 1024607451 /nfs/dbraw/zinc/60/74/51/1024607451.db2.gz MWODUKLSHPSASK-VHSXEESVSA-N -1 0 341.242 3.758 20 0 EHADRM Cc1oc(C(C)C)nc1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000909523566 1024624910 /nfs/dbraw/zinc/62/49/10/1024624910.db2.gz ONKOLVDVWOITKG-NSHDSACASA-N -1 0 330.384 3.622 20 0 EHADRM CO[C@@H](C)c1nc(=NC(c2ccccc2)c2ccccc2)s[n-]1 ZINC000391957564 1024637737 /nfs/dbraw/zinc/63/77/37/1024637737.db2.gz JTAUSXBFJQBONU-ZDUSSCGKSA-N -1 0 325.437 3.869 20 0 EHADRM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2OC(C)(C)C)c1 ZINC000115314041 1024666760 /nfs/dbraw/zinc/66/67/60/1024666760.db2.gz ZVUSXNXUNQMVSL-UHFFFAOYSA-N -1 0 347.436 3.867 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2noc3ccc(Cl)cc32)ccc1F ZINC000427647640 1024671718 /nfs/dbraw/zinc/67/17/18/1024671718.db2.gz WMTIPIMUKXZRHE-UHFFFAOYSA-N -1 0 340.763 3.730 20 0 EHADRM COc1cc(C)c(/C=C\c2ncc(C(=O)[O-])c(C(C)C)n2)cc1OC ZINC000435177144 1024681364 /nfs/dbraw/zinc/68/13/64/1024681364.db2.gz LLTNKOOUFOOTFJ-SREVYHEPSA-N -1 0 342.395 3.794 20 0 EHADRM COc1c(Cl)cc(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1Cl ZINC000514772362 1024729967 /nfs/dbraw/zinc/72/99/67/1024729967.db2.gz CXQITAFVDYEHNI-NSHDSACASA-N -1 0 349.214 3.623 20 0 EHADRM Cc1nc2ccc(S(=O)(=O)[N-]c3ncccc3C(C)C)cc2s1 ZINC000427745310 1024762616 /nfs/dbraw/zinc/76/26/16/1024762616.db2.gz CUNIEULULMIZBK-UHFFFAOYSA-N -1 0 347.465 3.924 20 0 EHADRM CCCCCS(=O)(=O)[N-][C@@H](c1c[nH]c2ccccc12)C(F)(F)F ZINC000508093031 1024892650 /nfs/dbraw/zinc/89/26/50/1024892650.db2.gz CMVOECIZEUIBEU-AWEZNQCLSA-N -1 0 348.390 3.881 20 0 EHADRM Cc1cc(Nc2cc(C(C)(C)C)sc2C(N)=O)cc(C(=O)[O-])c1 ZINC001211537348 1024904443 /nfs/dbraw/zinc/90/44/43/1024904443.db2.gz FMHVBGTYACLNAW-UHFFFAOYSA-N -1 0 332.425 3.895 20 0 EHADRM CC(C)CCc1noc(CN2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])n1 ZINC000514952087 1024928359 /nfs/dbraw/zinc/92/83/59/1024928359.db2.gz SJJZWTGAGFTQFA-JKSUJKDBSA-N -1 0 349.475 3.514 20 0 EHADRM Cc1cc(Nc2cc(Br)cn3ccnc23)cc(C(=O)[O-])c1 ZINC001211537584 1024944485 /nfs/dbraw/zinc/94/44/85/1024944485.db2.gz QSHPSQCHQJFWPF-UHFFFAOYSA-N -1 0 346.184 3.847 20 0 EHADRM Cc1cccc([C@H]([N-]S(=O)(=O)c2ccsc2)C(F)(F)F)c1 ZINC000508177718 1024946533 /nfs/dbraw/zinc/94/65/33/1024946533.db2.gz DROKTFUKESMPPI-LBPRGKRZSA-N -1 0 335.372 3.638 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)Cc1coc2cc(F)ccc12 ZINC000909466772 1024953159 /nfs/dbraw/zinc/95/31/59/1024953159.db2.gz KYPHONWHNTVTOR-UHFFFAOYSA-N -1 0 335.375 3.656 20 0 EHADRM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2cc(C3CC3)[nH]n2)cc1 ZINC000474433172 1024964361 /nfs/dbraw/zinc/96/43/61/1024964361.db2.gz TZFQXAWUQIHVRH-UHFFFAOYSA-N -1 0 349.456 3.513 20 0 EHADRM O=C1[N-]OC[C@H]1Nc1c(-c2ccccc2)cccc1-c1ccccc1 ZINC001167516511 1024980058 /nfs/dbraw/zinc/98/00/58/1024980058.db2.gz XQJQPVQWVALKKZ-LJQANCHMSA-N -1 0 330.387 3.863 20 0 EHADRM C[C@@H](Oc1ccccc1F)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474446088 1024981898 /nfs/dbraw/zinc/98/18/98/1024981898.db2.gz NPQRJMQLPSOGMM-MRVPVSSYSA-N -1 0 327.714 3.730 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)NCCc1csc2ccccc12 ZINC000684722669 1025016388 /nfs/dbraw/zinc/01/63/88/1025016388.db2.gz GYGKEJPLFDDESV-HNNXBMFYSA-N -1 0 348.468 3.585 20 0 EHADRM Cc1cc(NC(=O)c2cc(-c3ccccc3)on2)cc(C(=O)[O-])c1C ZINC000327517745 1025034808 /nfs/dbraw/zinc/03/48/08/1025034808.db2.gz SAVWUUWMTFJLRM-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM O=S(=O)([N-]c1ccccc1Oc1ccc(Cl)cc1)c1c[nH]cn1 ZINC000346757792 1025062313 /nfs/dbraw/zinc/06/23/13/1025062313.db2.gz WGCIEFWRMCUTPP-UHFFFAOYSA-N -1 0 349.799 3.656 20 0 EHADRM C[C@@H](CCNC(=O)N(CC(=O)[O-])C1CCCCC1)c1ccccc1 ZINC000684728282 1025071509 /nfs/dbraw/zinc/07/15/09/1025071509.db2.gz UXLURWKGNANWGE-HNNXBMFYSA-N -1 0 332.444 3.609 20 0 EHADRM Cc1ccc(S[C@H](C)C(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000013225079 1025078754 /nfs/dbraw/zinc/07/87/54/1025078754.db2.gz BCCFTMQGHVOGDP-RHSMWYFYSA-N -1 0 343.448 3.808 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccc(C(F)(F)F)cc1 ZINC000435710267 1025079145 /nfs/dbraw/zinc/07/91/45/1025079145.db2.gz JBPCLRLIIMXXDP-DRZSPHRISA-N -1 0 343.345 3.774 20 0 EHADRM COc1cc(C)c(NS(=O)(=O)c2ccc3ncccc3c2)cc1C ZINC000435721425 1025105034 /nfs/dbraw/zinc/10/50/34/1025105034.db2.gz CPMCAJHMOCQHCW-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM CCC(CC)(NC(=O)N[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000684736266 1025118888 /nfs/dbraw/zinc/11/88/88/1025118888.db2.gz POFLFNKCHRJCII-SNVBAGLBSA-N -1 0 346.349 3.709 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)N[C@@H](C)c1ccc(F)cc1Cl)C1CCC1 ZINC000684736378 1025119080 /nfs/dbraw/zinc/11/90/80/1025119080.db2.gz RTENHZJSEQBVAG-VHSXEESVSA-N -1 0 342.798 3.577 20 0 EHADRM Cc1cc(Cl)c2ccccc2c1NC(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000417797925 1025137218 /nfs/dbraw/zinc/13/72/18/1025137218.db2.gz TVGPCYCORSFSNG-NSHDSACASA-N -1 0 334.803 3.986 20 0 EHADRM CC(C)(C)c1nnc([N-]S(=O)(=O)c2ccc3ccccc3c2)s1 ZINC000039891649 1025139629 /nfs/dbraw/zinc/13/96/29/1025139629.db2.gz RQGMZPRNCAIOAO-UHFFFAOYSA-N -1 0 347.465 3.790 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1C(F)(F)F ZINC000442109219 1025172076 /nfs/dbraw/zinc/17/20/76/1025172076.db2.gz PJLKQTIEBOSQPL-UHFFFAOYSA-N -1 0 349.305 3.654 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccc(F)c3)on2)cc1C ZINC000515365732 1025197999 /nfs/dbraw/zinc/19/79/99/1025197999.db2.gz UJNIMHLGFCDFDC-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM CCCCS(=O)(=O)[N-]C(=O)c1ccccc1Cc1ccccc1 ZINC000048552022 1025201800 /nfs/dbraw/zinc/20/18/00/1025201800.db2.gz KNHNLOLNKFEWDT-UHFFFAOYSA-N -1 0 331.437 3.712 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1ncc(C(C)(C)C)s1 ZINC000444052139 1025203654 /nfs/dbraw/zinc/20/36/54/1025203654.db2.gz QMECHBLZXIJFBW-UHFFFAOYSA-N -1 0 342.511 3.963 20 0 EHADRM CCc1cccnc1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435905098 1025203724 /nfs/dbraw/zinc/20/37/24/1025203724.db2.gz CHHSVNMYEMEJRP-UHFFFAOYSA-N -1 0 349.214 3.891 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ncc(-c3ccccc3)s2)[C@H](C(=O)[O-])C1 ZINC000521168742 1025244457 /nfs/dbraw/zinc/24/44/57/1025244457.db2.gz CENRCIRPACSILL-AAEUAGOBSA-N -1 0 345.424 3.527 20 0 EHADRM CCCn1ccc2ccc(NC(=O)N3CCCCC[C@H]3C(=O)[O-])cc21 ZINC000684748841 1025257871 /nfs/dbraw/zinc/25/78/71/1025257871.db2.gz QLIREAMIEWJONZ-INIZCTEOSA-N -1 0 343.427 3.912 20 0 EHADRM CC(C)c1noc(=NCc2cc(Oc3ccc(F)cc3)ccn2)[n-]1 ZINC000346875320 1025270327 /nfs/dbraw/zinc/27/03/27/1025270327.db2.gz MYAZURWUQOBPPK-UHFFFAOYSA-N -1 0 328.347 3.553 20 0 EHADRM Cc1ccc(NC(=O)N2CCCCC[C@H]2C(=O)[O-])cc1-c1ncco1 ZINC000684750176 1025271460 /nfs/dbraw/zinc/27/14/60/1025271460.db2.gz YHINPLYSQDITCB-HNNXBMFYSA-N -1 0 343.383 3.511 20 0 EHADRM COc1ccc(-c2n[n-]c(=NCc3cc(F)cc(Cl)c3)o2)cc1 ZINC000436021929 1025304688 /nfs/dbraw/zinc/30/46/88/1025304688.db2.gz KVDWIJOZRMPWNJ-UHFFFAOYSA-N -1 0 333.750 3.572 20 0 EHADRM Cc1ccc(C)c([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)c1 ZINC000436051527 1025333357 /nfs/dbraw/zinc/33/33/57/1025333357.db2.gz QAHOXIWBLSIVDM-UHFFFAOYSA-N -1 0 339.420 3.561 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000582124530 1025343144 /nfs/dbraw/zinc/34/31/44/1025343144.db2.gz IRDUIBSVWPKTKL-UHFFFAOYSA-N -1 0 343.467 3.749 20 0 EHADRM Cc1cccc(C(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)c1 ZINC000521365392 1025350070 /nfs/dbraw/zinc/35/00/70/1025350070.db2.gz OIOWRAUIBIJFLH-UHFFFAOYSA-N -1 0 329.812 3.841 20 0 EHADRM CCCc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(OC)nc1 ZINC000442596466 1025385066 /nfs/dbraw/zinc/38/50/66/1025385066.db2.gz JDBXOCJHYIXXMI-UHFFFAOYSA-N -1 0 348.468 3.967 20 0 EHADRM CCCCOCCSc1n[n-]c(=Nc2ccccc2F)s1 ZINC000515592429 1025404366 /nfs/dbraw/zinc/40/43/66/1025404366.db2.gz GXVXQLDQLMNJAE-UHFFFAOYSA-N -1 0 327.450 3.752 20 0 EHADRM Cc1ccc(C[C@@H]2CCCN(C(=O)C3CCC(C(=O)[O-])CC3)C2)cc1 ZINC000684771387 1025414631 /nfs/dbraw/zinc/41/46/31/1025414631.db2.gz PNQCABQICOVMDH-VIQWUECVSA-N -1 0 343.467 3.667 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1cc(F)cc(Cl)c1O ZINC000436190621 1025441106 /nfs/dbraw/zinc/44/11/06/1025441106.db2.gz NTELQABDKPGASH-UHFFFAOYSA-N -1 0 347.820 3.707 20 0 EHADRM O=C(NCc1ccnc(OC2CCCC2)c1)c1ccc([O-])c(Cl)c1 ZINC000041399384 1025443982 /nfs/dbraw/zinc/44/39/82/1025443982.db2.gz FTVKHJUUYJWXEI-UHFFFAOYSA-N -1 0 346.814 3.692 20 0 EHADRM CC[C@@H](C)c1ncc([N-]S(=O)(=O)c2sccc2Cl)cn1 ZINC000451044860 1025464429 /nfs/dbraw/zinc/46/44/29/1025464429.db2.gz LAKGUFIUSSSNOL-MRVPVSSYSA-N -1 0 331.850 3.506 20 0 EHADRM Cc1cccc2cc(C(=O)N3[C@@H]4CCCC[C@H]4C[C@H]3C(=O)[O-])oc21 ZINC000262379631 1025467451 /nfs/dbraw/zinc/46/74/51/1025467451.db2.gz LGWMRABJISXNIS-CFVMTHIKSA-N -1 0 327.380 3.599 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])Cc1csc(Nc2ccc(C)cc2)n1 ZINC000442780190 1025470373 /nfs/dbraw/zinc/47/03/73/1025470373.db2.gz NOILZBHIRIFOLY-CYBMUJFWSA-N -1 0 333.457 3.880 20 0 EHADRM COc1cc(C(=O)Nc2cccc(Cl)c2[O-])cc(Cl)c1O ZINC000442794875 1025488133 /nfs/dbraw/zinc/48/81/33/1025488133.db2.gz DFHCQWXUERPCCH-UHFFFAOYSA-N -1 0 328.151 3.666 20 0 EHADRM O=C(Nc1cnc2ccccc2c1)c1cccc(Br)c1[O-] ZINC000521610254 1025525633 /nfs/dbraw/zinc/52/56/33/1025525633.db2.gz KMZDBIURODAHSD-UHFFFAOYSA-N -1 0 343.180 3.955 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2cnc(-c3ccsc3)s2)cc1 ZINC000347104533 1025530582 /nfs/dbraw/zinc/53/05/82/1025530582.db2.gz KDOMOPITOJFSJB-UHFFFAOYSA-N -1 0 344.417 3.751 20 0 EHADRM C[C@@H](CNC(=O)C[C@@H](Cc1ccccc1)c1ccccc1)CC(=O)[O-] ZINC000262274451 1025556934 /nfs/dbraw/zinc/55/69/34/1025556934.db2.gz XGJMFYSOFIJIIM-VQIMIIECSA-N -1 0 339.435 3.630 20 0 EHADRM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000329054357 1025582654 /nfs/dbraw/zinc/58/26/54/1025582654.db2.gz HUDQFSVFMYARJM-UHOFOFEASA-N -1 0 341.411 3.575 20 0 EHADRM Cc1ccc(Cc2n[n-]c(=NC(=O)N[C@@H]3CCC[C@H](C)C3)s2)cc1 ZINC000521748081 1025635664 /nfs/dbraw/zinc/63/56/64/1025635664.db2.gz LASBWEBYRSCSAR-DZGCQCFKSA-N -1 0 344.484 3.559 20 0 EHADRM O=C(c1nn(-c2ccc(Cl)cc2)cc1[O-])N(CC1CC1)C1CCC1 ZINC000530318308 1025648575 /nfs/dbraw/zinc/64/85/75/1025648575.db2.gz SBISWUVTNAGMAK-UHFFFAOYSA-N -1 0 345.830 3.636 20 0 EHADRM Cc1ncccc1C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000342461266 1025652943 /nfs/dbraw/zinc/65/29/43/1025652943.db2.gz KHNCBKLYMYKDSJ-UHFFFAOYSA-N -1 0 341.592 3.764 20 0 EHADRM CC1=CCCN(C(=O)N=c2[n-]nc(-c3cc4ccccc4o3)s2)C1 ZINC000436413291 1025691603 /nfs/dbraw/zinc/69/16/03/1025691603.db2.gz OUVXNQQVMDADIH-UHFFFAOYSA-N -1 0 340.408 3.557 20 0 EHADRM CCON(CC1CCCCC1)C(=O)c1ncc2ccccc2c1[O-] ZINC001299177546 1025720074 /nfs/dbraw/zinc/72/00/74/1025720074.db2.gz RZHUERZIIPXPLH-UHFFFAOYSA-N -1 0 328.412 3.914 20 0 EHADRM C[C@@H]1CCC[C@H](N(C)C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])C1 ZINC000436470653 1025762950 /nfs/dbraw/zinc/76/29/50/1025762950.db2.gz SAGHPRDPVKQKNH-DOMZBBRYSA-N -1 0 347.846 3.882 20 0 EHADRM O=C(NCc1c(Cl)cccc1Cl)c1cc(F)c([O-])c(F)c1 ZINC000515932940 1025767913 /nfs/dbraw/zinc/76/79/13/1025767913.db2.gz XPOKTORWWQCKRW-UHFFFAOYSA-N -1 0 332.133 3.907 20 0 EHADRM C[C@H](NC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-])[C@@H]1CCOC1 ZINC000436483741 1025786457 /nfs/dbraw/zinc/78/64/57/1025786457.db2.gz CNSQCYQVQMBZAW-GXTWGEPZSA-N -1 0 345.826 3.867 20 0 EHADRM COc1ccc(C[C@H]2CCCN(C(=O)c3c([O-])cccc3F)C2)cc1 ZINC000436510305 1025803801 /nfs/dbraw/zinc/80/38/01/1025803801.db2.gz IQHOWSUDIJHCTL-OAHLLOKOSA-N -1 0 343.398 3.635 20 0 EHADRM Cc1cc(F)cc([C@@]2(F)CCN(C(=O)c3c([O-])cccc3F)C2)c1 ZINC000436514530 1025810769 /nfs/dbraw/zinc/81/07/69/1025810769.db2.gz RCJBXOJVTVFATP-GOSISDBHSA-N -1 0 335.325 3.690 20 0 EHADRM CN(C(=O)c1cc(F)c([O-])c(F)c1)c1cccc(OC(F)(F)F)c1 ZINC000436521768 1025819836 /nfs/dbraw/zinc/81/98/36/1025819836.db2.gz HJVDBLFUVGEJKY-UHFFFAOYSA-N -1 0 347.239 3.846 20 0 EHADRM O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(Cl)cc1[O-] ZINC000436519997 1025820738 /nfs/dbraw/zinc/82/07/38/1025820738.db2.gz BMZRXMBJSIIPLD-HNNXBMFYSA-N -1 0 347.798 3.856 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCC(Cc2ccccc2F)CC1 ZINC000436523421 1025826233 /nfs/dbraw/zinc/82/62/33/1025826233.db2.gz SHKQUJVXKKYKKI-UHFFFAOYSA-N -1 0 349.352 3.904 20 0 EHADRM CCCC(=O)Nc1cccc(NC(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000436530045 1025838687 /nfs/dbraw/zinc/83/86/87/1025838687.db2.gz LSTSTJZCAZVEFG-UHFFFAOYSA-N -1 0 334.322 3.661 20 0 EHADRM COc1ccc(C(=O)N2CCCC[C@@H]2Cc2ccccc2)c(O)c1 ZINC000436535067 1025846191 /nfs/dbraw/zinc/84/61/91/1025846191.db2.gz MROGXZWKGMJPBD-MRXNPFEDSA-N -1 0 325.408 3.638 20 0 EHADRM CN(CCCOc1ccc(Cl)cc1)C(=O)c1ccc(F)cc1[O-] ZINC000436555176 1025862735 /nfs/dbraw/zinc/86/27/35/1025862735.db2.gz JYGOFTLMXGYTNA-UHFFFAOYSA-N -1 0 337.778 3.726 20 0 EHADRM O=C(N=c1cc(-c2ccccc2)[nH][nH]1)c1cc(O)c2ccccc2c1 ZINC000582329733 1025866977 /nfs/dbraw/zinc/86/69/77/1025866977.db2.gz HIGZPOZDEMGTDH-UHFFFAOYSA-N -1 0 329.359 3.610 20 0 EHADRM O=C(c1ccc(F)cc1[O-])N1CCC(Cc2ccc(F)cc2)CC1 ZINC000436540372 1025872115 /nfs/dbraw/zinc/87/21/15/1025872115.db2.gz YTVAATABYYNPST-UHFFFAOYSA-N -1 0 331.362 3.765 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCC[C@H]2COCC[C@H]21 ZINC000436577121 1025882790 /nfs/dbraw/zinc/88/27/90/1025882790.db2.gz RIDFEQKAWKKXQS-YVEFUNNKSA-N -1 0 345.826 3.840 20 0 EHADRM CCN(C(=O)c1cc(F)cc(Cl)c1[O-])[C@H]1CCOC(C)(C)C1 ZINC000436565388 1025893841 /nfs/dbraw/zinc/89/38/41/1025893841.db2.gz JIICSHURSWJTEA-NSHDSACASA-N -1 0 329.799 3.604 20 0 EHADRM CC[C@H](c1ccccc1)N(CC)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000665316437 1025911407 /nfs/dbraw/zinc/91/14/07/1025911407.db2.gz FPGJQWJEWCRMBN-IAGOWNOFSA-N -1 0 332.444 3.670 20 0 EHADRM O=C(Nc1nc(-c2ccc(O)cc2)cs1)c1ccc(F)cc1[O-] ZINC000436582708 1025921154 /nfs/dbraw/zinc/92/11/54/1025921154.db2.gz BOBLWSYYNVQHSM-UHFFFAOYSA-N -1 0 330.340 3.613 20 0 EHADRM O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)c1ccc2ccccc2c1O ZINC000436589962 1025927979 /nfs/dbraw/zinc/92/79/79/1025927979.db2.gz XGFSAKHMFHPYIQ-MSOLQXFVSA-N -1 0 335.407 3.656 20 0 EHADRM O=C(c1c([O-])cc(Cl)cc1Cl)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000436609771 1025941812 /nfs/dbraw/zinc/94/18/12/1025941812.db2.gz SHVKKFPHIHVSTC-QWRGUYRKSA-N -1 0 344.238 3.588 20 0 EHADRM O=C([O-])C1=C(C(=O)Nc2ccc(OCC(F)(F)F)cc2)CCCC1 ZINC000326904781 1025942262 /nfs/dbraw/zinc/94/22/62/1025942262.db2.gz MJHQFHMJBCZJNU-UHFFFAOYSA-N -1 0 343.301 3.521 20 0 EHADRM O=C(N=c1nc(-c2cccnc2)[n-]s1)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000329518713 1025944531 /nfs/dbraw/zinc/94/45/31/1025944531.db2.gz FBOHMPKXDLIRJS-NWANDNLSSA-N -1 0 342.468 3.567 20 0 EHADRM O=C(Nc1cccc(NCC(F)(F)F)c1)c1ccc(F)cc1[O-] ZINC000436613825 1025945483 /nfs/dbraw/zinc/94/54/83/1025945483.db2.gz SMSFQEZQDKPBIY-UHFFFAOYSA-N -1 0 328.265 3.758 20 0 EHADRM COc1ccc([C@H](NC(=O)c2cc(F)ccc2O)C(F)(F)F)cc1 ZINC000436628251 1025957009 /nfs/dbraw/zinc/95/70/09/1025957009.db2.gz PGEWYVSQSLHHNB-AWEZNQCLSA-N -1 0 343.276 3.573 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)Cc2ccc(Cl)c(F)c2)c1 ZINC000436651994 1025977372 /nfs/dbraw/zinc/97/73/72/1025977372.db2.gz YTQBITXVYOCVGP-UHFFFAOYSA-N -1 0 335.762 3.959 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2sccc2OC(F)F)c1 ZINC000436653940 1025979593 /nfs/dbraw/zinc/97/95/93/1025979593.db2.gz CALILUMMHZTCGT-UHFFFAOYSA-N -1 0 341.335 3.900 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)COc2cc(C)ccc2C)c1 ZINC000436647137 1025996111 /nfs/dbraw/zinc/99/61/11/1025996111.db2.gz PTYXHMHFKHMQBB-UHFFFAOYSA-N -1 0 327.380 3.619 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H]2COc3cc(C)c(C)cc32)c1 ZINC000436646796 1025997832 /nfs/dbraw/zinc/99/78/32/1025997832.db2.gz HQSKUXSOLWWTQL-HNNXBMFYSA-N -1 0 339.391 3.716 20 0 EHADRM O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccc(Cl)cc1O ZINC000436663965 1026003404 /nfs/dbraw/zinc/00/34/04/1026003404.db2.gz NONPLVFSIUZQDT-SFHVURJKSA-N -1 0 338.794 3.960 20 0 EHADRM CCc1cccnc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000443418524 1026011523 /nfs/dbraw/zinc/01/15/23/1026011523.db2.gz PVDQSJAYMYDSQU-UHFFFAOYSA-N -1 0 331.224 3.752 20 0 EHADRM CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2csc3ccccc32)c1 ZINC000436673564 1026017657 /nfs/dbraw/zinc/01/76/57/1026017657.db2.gz PGRNVBXJLXBKAH-UHFFFAOYSA-N -1 0 347.417 3.610 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)c1 ZINC000436677660 1026024764 /nfs/dbraw/zinc/02/47/64/1026024764.db2.gz DBLXZHCUOGPLPL-UHFFFAOYSA-N -1 0 343.427 3.922 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@H]2CCSc3ccccc32)c1 ZINC000436679979 1026031368 /nfs/dbraw/zinc/03/13/68/1026031368.db2.gz MMZNTFUVOASGIO-AWEZNQCLSA-N -1 0 327.405 3.813 20 0 EHADRM COc1ccc(Oc2ccc(CN=c3[n-]nc(C4CC4)o3)cc2)cc1 ZINC000342518153 1026039898 /nfs/dbraw/zinc/03/98/98/1026039898.db2.gz WMRRVNUJEIPRKO-UHFFFAOYSA-N -1 0 337.379 3.782 20 0 EHADRM COc1cccc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000103057691 1026040950 /nfs/dbraw/zinc/04/09/50/1026040950.db2.gz UJWGFYATRIXRAS-UHFFFAOYSA-N -1 0 349.305 3.654 20 0 EHADRM [O-]c1cc(Br)ccc1-c1nc([C@H]2CC2(Cl)Cl)no1 ZINC000896806607 1026054930 /nfs/dbraw/zinc/05/49/30/1026054930.db2.gz NIEVXBSWPNFREY-SSDOTTSWSA-N -1 0 349.999 3.866 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C(C)(C)Oc1ccc(F)cc1 ZINC000323877090 1026058217 /nfs/dbraw/zinc/05/82/17/1026058217.db2.gz KBPIXPSSDSUSNB-UHFFFAOYSA-N -1 0 331.343 3.628 20 0 EHADRM CC(C)c1nnc([N-]S(=O)(=O)c2cccc3ccccc32)s1 ZINC000047157639 1026066748 /nfs/dbraw/zinc/06/67/48/1026066748.db2.gz DAYUYAMYGZEAGF-UHFFFAOYSA-N -1 0 333.438 3.616 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2c(C)cccc2Br)c1 ZINC000436706915 1026070771 /nfs/dbraw/zinc/07/07/71/1026070771.db2.gz QHWZVTVSUKUYNV-UHFFFAOYSA-N -1 0 348.196 3.918 20 0 EHADRM C[C@@H](NC(=O)N=c1nc(C(C)(C)C)[n-]s1)c1cccc(Cl)c1 ZINC000436708027 1026070873 /nfs/dbraw/zinc/07/08/73/1026070873.db2.gz VYDQINTVRBZIEE-SECBINFHSA-N -1 0 338.864 3.794 20 0 EHADRM C[C@H]1CC(CCNC(=O)c2cc(F)c([O-])c(Cl)c2)C[C@H](C)O1 ZINC000436706278 1026071542 /nfs/dbraw/zinc/07/15/42/1026071542.db2.gz CDHKZSISGMHVLC-UWVGGRQHSA-N -1 0 329.799 3.508 20 0 EHADRM Cc1ccc(C)c(N2CCN(C(=O)c3ccc([O-])c(Cl)c3)CC2)c1 ZINC000436725773 1026074481 /nfs/dbraw/zinc/07/44/81/1026074481.db2.gz ZTBQXGPOPGXDLW-UHFFFAOYSA-N -1 0 344.842 3.625 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2ccc(OC3CCCC3)nc2)c1 ZINC000436713269 1026081790 /nfs/dbraw/zinc/08/17/90/1026081790.db2.gz QMOQMXQSAHIEPB-UHFFFAOYSA-N -1 0 340.379 3.564 20 0 EHADRM CCc1ccccc1[N-]S(=O)(=O)c1sccc1Br ZINC000042350516 1026083066 /nfs/dbraw/zinc/08/30/66/1026083066.db2.gz XFEDVQVLIJNVFI-UHFFFAOYSA-N -1 0 346.271 3.874 20 0 EHADRM Cc1cc2[nH]c(C(=O)N3[C@@H]4CCCC[C@H]4C[C@H]3C(=O)[O-])cc2c(C)c1 ZINC000262307374 1026085962 /nfs/dbraw/zinc/08/59/62/1026085962.db2.gz MNOZUTVCAHRSRN-VHSSKADRSA-N -1 0 340.423 3.643 20 0 EHADRM O=C(Nc1ccc(Cl)c2cccnc12)c1cc(=O)c2ccccc2[n-]1 ZINC000516171907 1026088730 /nfs/dbraw/zinc/08/87/30/1026088730.db2.gz ABGXFJMZHUPXDG-UHFFFAOYSA-N -1 0 349.777 3.982 20 0 EHADRM CCc1n[n-]c(=NC(=O)N2CC(C)(C)C[C@@H]2c2ccccc2)s1 ZINC000425616569 1026120939 /nfs/dbraw/zinc/12/09/39/1026120939.db2.gz AWGRTZRFZYQNBG-CYBMUJFWSA-N -1 0 330.457 3.528 20 0 EHADRM Cc1nnc(NC(=O)c2cc(Cl)c3ccccc3c2[O-])n1C1CC1 ZINC000436735115 1026125398 /nfs/dbraw/zinc/12/53/98/1026125398.db2.gz LJHLMSQSDQADCT-UHFFFAOYSA-N -1 0 342.786 3.686 20 0 EHADRM O=C(Nc1ccnn1Cc1ccccc1)c1ccc([O-])c(Cl)c1 ZINC000436763216 1026133253 /nfs/dbraw/zinc/13/32/53/1026133253.db2.gz GBGCIUGADOJRFM-UHFFFAOYSA-N -1 0 327.771 3.543 20 0 EHADRM CC(C)Cn1cc(NC(=O)c2ccc(C(F)(F)F)cc2O)cn1 ZINC000436751370 1026139452 /nfs/dbraw/zinc/13/94/52/1026139452.db2.gz LDKBSRXVFRNPCG-UHFFFAOYSA-N -1 0 327.306 3.516 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCc2cc(F)c(F)cc21 ZINC000436773531 1026150060 /nfs/dbraw/zinc/15/00/60/1026150060.db2.gz PRNPBOONYOMQFJ-UHFFFAOYSA-N -1 0 327.689 3.666 20 0 EHADRM CCCCn1ncc([N-]S(=O)(=O)c2cc(Cl)ccc2F)c1C ZINC000560007617 1026213982 /nfs/dbraw/zinc/21/39/82/1026213982.db2.gz QKHUMFVSFLVNNW-UHFFFAOYSA-N -1 0 345.827 3.585 20 0 EHADRM O=C(N=c1nc(-c2ccccc2)[n-]s1)c1coc2cc(F)ccc21 ZINC000475121768 1026218099 /nfs/dbraw/zinc/21/80/99/1026218099.db2.gz UOPXMKWSEKVNFL-UHFFFAOYSA-N -1 0 339.351 3.765 20 0 EHADRM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)c(C)c1 ZINC000614732173 1026231737 /nfs/dbraw/zinc/23/17/37/1026231737.db2.gz JVRCPLGLMWMCMM-UHFFFAOYSA-N -1 0 347.436 3.926 20 0 EHADRM O=C(Nc1cccc(-c2nnco2)c1)c1ccc(C(F)(F)F)c(O)c1 ZINC000684870413 1026252808 /nfs/dbraw/zinc/25/28/08/1026252808.db2.gz FUIMUYVBMFYFGE-UHFFFAOYSA-N -1 0 349.268 3.713 20 0 EHADRM O=C(Nc1ccccc1-n1cccn1)c1ccc(C(F)(F)F)c(O)c1 ZINC000684871939 1026262804 /nfs/dbraw/zinc/26/28/04/1026262804.db2.gz XHXGMBYVJWRVDX-UHFFFAOYSA-N -1 0 347.296 3.849 20 0 EHADRM Cc1cc(Nc2c(N)cc(Br)cc2F)cc(C(=O)[O-])c1 ZINC001211545437 1026277251 /nfs/dbraw/zinc/27/72/51/1026277251.db2.gz ZQAZWURDIPAPMW-UHFFFAOYSA-N -1 0 339.164 3.921 20 0 EHADRM CC(C)COc1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000511128981 1026303406 /nfs/dbraw/zinc/30/34/06/1026303406.db2.gz CVALKSJGICGRTO-UHFFFAOYSA-N -1 0 341.379 3.800 20 0 EHADRM C[C@@H]1CCN(C(=O)N=c2nc(-c3ccsc3)[n-]s2)CC1(C)C ZINC000582466632 1026345204 /nfs/dbraw/zinc/34/52/04/1026345204.db2.gz ONJBRASVUYWQSE-SNVBAGLBSA-N -1 0 336.486 3.588 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)s1 ZINC000192846937 1026404006 /nfs/dbraw/zinc/40/40/06/1026404006.db2.gz WGXKOJDGGYXUBU-ZDUSSCGKSA-N -1 0 335.400 3.956 20 0 EHADRM Cc1cccc2sc([N-]S(=O)(=O)Cc3ccccc3F)nc21 ZINC000158405206 1026426966 /nfs/dbraw/zinc/42/69/66/1026426966.db2.gz SCUQHJSPUNPTAJ-UHFFFAOYSA-N -1 0 336.413 3.686 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2ccccc2Cl)ccc1Cl ZINC000193484946 1026472647 /nfs/dbraw/zinc/47/26/47/1026472647.db2.gz NVGUISZCMHFGHA-UHFFFAOYSA-N -1 0 332.208 3.803 20 0 EHADRM Cc1cc(C)c(C(=O)COC(=O)c2cc(F)c([O-])c(F)c2)c(C)c1 ZINC000759541867 1026587418 /nfs/dbraw/zinc/58/74/18/1026587418.db2.gz QEGCBOUUMYJZGT-UHFFFAOYSA-N -1 0 334.318 3.635 20 0 EHADRM O=C(c1cccc(Br)c1[O-])N1CC[C@@H]1Cc1ccccc1 ZINC000531125069 1026595639 /nfs/dbraw/zinc/59/56/39/1026595639.db2.gz MSVRZKSMPZFCOX-CYBMUJFWSA-N -1 0 346.224 3.612 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000431456650 1026644184 /nfs/dbraw/zinc/64/41/84/1026644184.db2.gz LLHCRWZJFIBXJT-AWEZNQCLSA-N -1 0 345.826 3.632 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCC[C@H](C)[C@H]3C)n2)c1 ZINC000531231256 1026727436 /nfs/dbraw/zinc/72/74/36/1026727436.db2.gz LJKQYCIRIWGNNS-LSDHHAIUSA-N -1 0 341.455 3.962 20 0 EHADRM CCC[C@@H](C)[C@H]1CCCN1C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC000909593085 1026889266 /nfs/dbraw/zinc/88/92/66/1026889266.db2.gz SNWQUSIEFCVOCG-CXAGYDPISA-N -1 0 342.439 3.836 20 0 EHADRM CN(C)Cc1cc(NC(=O)c2c([O-])cc(F)cc2F)ccc1Cl ZINC000684994122 1027003308 /nfs/dbraw/zinc/00/33/08/1027003308.db2.gz BDWFRJNRCRIOPU-UHFFFAOYSA-N -1 0 340.757 3.638 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cc(C)c(F)cc2F)cc1C ZINC000342775593 1027010713 /nfs/dbraw/zinc/01/07/13/1027010713.db2.gz HAALSZDZOAOEFS-SNVBAGLBSA-N -1 0 343.399 3.550 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)c2ccc(F)c(C)c2)s[n-]1 ZINC000472249333 1027107312 /nfs/dbraw/zinc/10/73/12/1027107312.db2.gz ITIVWZOUPZDZAI-UHFFFAOYSA-N -1 0 333.413 3.697 20 0 EHADRM C[C@H](O)[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])C1 ZINC000272844141 1027143902 /nfs/dbraw/zinc/14/39/02/1027143902.db2.gz RCMRMRLCXJEYQD-GXTWGEPZSA-N -1 0 345.826 3.556 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000237041990 1027193715 /nfs/dbraw/zinc/19/37/15/1027193715.db2.gz HOZPFOCZFDOOFP-IAGOWNOFSA-N -1 0 343.810 3.800 20 0 EHADRM O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)c1cccc(F)c1[O-] ZINC001126406748 1027239691 /nfs/dbraw/zinc/23/96/91/1027239691.db2.gz QTUVXTKKDYWZPO-GFCCVEGCSA-N -1 0 348.805 3.584 20 0 EHADRM CCCCCc1n[n-]c(=NCc2ncc(CSC)s2)s1 ZINC000453045940 1027257239 /nfs/dbraw/zinc/25/72/39/1027257239.db2.gz KLJDHQAJYIXNBV-UHFFFAOYSA-N -1 0 328.532 3.624 20 0 EHADRM CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000414446850 1027419746 /nfs/dbraw/zinc/41/97/46/1027419746.db2.gz JTPIXERIALAFQF-WWGRRREGSA-N -1 0 337.847 3.996 20 0 EHADRM CCSc1ccc([C@@H](C)NC(=O)N=c2cc(C)c(C)n[n-]2)cc1 ZINC000467483744 1027452981 /nfs/dbraw/zinc/45/29/81/1027452981.db2.gz PRFFACBZJSJJBN-CYBMUJFWSA-N -1 0 330.457 3.510 20 0 EHADRM CCOc1ccccc1CCC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000414451689 1027474319 /nfs/dbraw/zinc/47/43/19/1027474319.db2.gz OBDVNPCVYDXSDD-AWEZNQCLSA-N -1 0 341.407 3.845 20 0 EHADRM O=C([O-])C(=O)/C(=C\c1ccc(F)c(F)c1)c1ccc2ccccc2n1 ZINC000007587095 1027477052 /nfs/dbraw/zinc/47/70/52/1027477052.db2.gz XRKFONQXGWUOAO-LCYFTJDESA-N -1 0 339.297 3.707 20 0 EHADRM O=S(=O)([N-]c1ccc(Oc2ccccc2)cc1)c1cncc(F)c1 ZINC000501808217 1027537734 /nfs/dbraw/zinc/53/77/34/1027537734.db2.gz NRIIDJFTHQOEMQ-UHFFFAOYSA-N -1 0 344.367 3.814 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)CC/C=C/c2ccccc2)sc1C(=O)[O-] ZINC000237517776 1027644403 /nfs/dbraw/zinc/64/44/03/1027644403.db2.gz ADNGNJPJPKQCAV-BCRSCGJKSA-N -1 0 344.436 3.821 20 0 EHADRM CC1(C)CCC[C@@H]1CCNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC001167622553 1027856287 /nfs/dbraw/zinc/85/62/87/1027856287.db2.gz KPEKDVXGEUWYNC-CYBMUJFWSA-N -1 0 345.418 3.663 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000582834552 1027930308 /nfs/dbraw/zinc/93/03/08/1027930308.db2.gz ORFKOKOPXSRAIP-KRWDZBQOSA-N -1 0 348.450 3.578 20 0 EHADRM Cc1nc2cc(NC(=O)c3ccc(Br)c([O-])c3)ccc2o1 ZINC000132949846 1027982993 /nfs/dbraw/zinc/98/29/93/1027982993.db2.gz XVTLYEGFECIYNR-UHFFFAOYSA-N -1 0 347.168 3.857 20 0 EHADRM CC(C)(C)c1csc([N-]S(=O)(=O)c2cc(F)ccc2F)n1 ZINC000120691327 1028105575 /nfs/dbraw/zinc/10/55/75/1028105575.db2.gz DWUVURKSAFHXBF-UHFFFAOYSA-N -1 0 332.397 3.520 20 0 EHADRM CCOC(=O)c1cc(Nc2cc(Cl)cc(C(=O)[O-])c2)cnc1C ZINC001211961069 1028195920 /nfs/dbraw/zinc/19/59/20/1028195920.db2.gz UCUGFGHUTAGNPL-UHFFFAOYSA-N -1 0 334.759 3.662 20 0 EHADRM CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C)s1 ZINC000614852185 1028209882 /nfs/dbraw/zinc/20/98/82/1028209882.db2.gz DEEZUPNZOJBBSD-UHFFFAOYSA-N -1 0 325.455 3.955 20 0 EHADRM CC[C@@H](CS(=O)(=O)[N-]c1cc(Cl)ccc1C(F)(F)F)OC ZINC000421252646 1028216243 /nfs/dbraw/zinc/21/62/43/1028216243.db2.gz UUFZGHNFPQRZGT-VIFPVBQESA-N -1 0 345.770 3.526 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2c[nH]c(=O)c(C(F)(F)F)c2)c1 ZINC001211962929 1028216659 /nfs/dbraw/zinc/21/66/59/1028216659.db2.gz SOTJHETZBHLZDC-UHFFFAOYSA-N -1 0 332.665 3.901 20 0 EHADRM CC(C)c1nc2ccc(Nc3cc(Cl)cc(C(=O)[O-])c3)cn2n1 ZINC001211963068 1028218291 /nfs/dbraw/zinc/21/82/91/1028218291.db2.gz VZTKMUDTIKUJRR-UHFFFAOYSA-N -1 0 330.775 3.948 20 0 EHADRM Cc1ccc(Nc2ncccc2[N-]S(=O)(=O)c2cccs2)cc1 ZINC000502489243 1028246931 /nfs/dbraw/zinc/24/69/31/1028246931.db2.gz ALDHOAKCGQEFOP-UHFFFAOYSA-N -1 0 345.449 3.996 20 0 EHADRM CCS(=O)(=O)c1ccc(Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC001211965229 1028272579 /nfs/dbraw/zinc/27/25/79/1028272579.db2.gz UZOPAMUPUIYSAB-UHFFFAOYSA-N -1 0 339.800 3.575 20 0 EHADRM COc1ccccc1C(C)=CC(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000067599922 1028307855 /nfs/dbraw/zinc/30/78/55/1028307855.db2.gz CSSBOGFHWXDVEU-VAWYXSNFSA-N -1 0 349.383 3.583 20 0 EHADRM Cc1ccc(C[C@@H](C)NS(=O)(=O)c2cccc(Cl)c2F)s1 ZINC000523418375 1028316633 /nfs/dbraw/zinc/31/66/33/1028316633.db2.gz PYMFKJICLDBVRJ-SECBINFHSA-N -1 0 347.864 3.759 20 0 EHADRM CC(C)[C@@H]1CCCN(C(=O)N=c2[n-]nc(/C=C\c3ccco3)s2)C1 ZINC000444871247 1028350337 /nfs/dbraw/zinc/35/03/37/1028350337.db2.gz IPNLHKAQBAJPRX-MEJMFZKBSA-N -1 0 346.456 3.623 20 0 EHADRM COc1cccc2c1ncc(C(=O)[O-])c2N1CCC[C@H]1c1cccnc1 ZINC000582966064 1028380209 /nfs/dbraw/zinc/38/02/09/1028380209.db2.gz DRKFMPTYNILRLO-INIZCTEOSA-N -1 0 349.390 3.678 20 0 EHADRM Cc1cc(=NC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)[n-]nc1C ZINC000444893080 1028393502 /nfs/dbraw/zinc/39/35/02/1028393502.db2.gz FKTQLFAHYFBCGN-SNVBAGLBSA-N -1 0 339.226 3.705 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCC[C@@H]1c1nc2c([nH]1)CCCC2 ZINC000277999306 1028420598 /nfs/dbraw/zinc/42/05/98/1028420598.db2.gz QNXURFYNDUNAMF-OAHLLOKOSA-N -1 0 345.830 3.625 20 0 EHADRM Fc1cc(C(F)(F)F)cc(C2(CN=c3[n-]nc(C4CC4)o3)CC2)c1 ZINC000342966071 1028428574 /nfs/dbraw/zinc/42/85/74/1028428574.db2.gz OKMWIDLYXQRBEZ-UHFFFAOYSA-N -1 0 341.308 3.671 20 0 EHADRM C[C@@H]1C[C@@H](CC(F)(F)F)[C@H](C)N1C(=O)c1ccc(C(=O)[O-])s1 ZINC000630322739 1028436580 /nfs/dbraw/zinc/43/65/80/1028436580.db2.gz VOKAQBBZBRBRAW-VGMNWLOBSA-N -1 0 335.347 3.638 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N[C@@H]2CCC[C@H]2c2ccccc2)s1 ZINC000523585463 1028454285 /nfs/dbraw/zinc/45/42/85/1028454285.db2.gz JZGBLJUFUHTGAX-QWHCGFSZSA-N -1 0 348.497 3.530 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000236618242 1028559209 /nfs/dbraw/zinc/55/92/09/1028559209.db2.gz LDRFCHMOIUOTFZ-MJVIPROJSA-N -1 0 344.238 3.712 20 0 EHADRM CC(C)C[C@@H](NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000236773995 1028579825 /nfs/dbraw/zinc/57/98/25/1028579825.db2.gz FSIGIKXZRCJCMQ-BXUZGUMPSA-N -1 0 345.361 3.815 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NCc1ccccc1Oc1ccccc1 ZINC000236807900 1028590430 /nfs/dbraw/zinc/59/04/30/1028590430.db2.gz MGCCFVKEDXGJLI-UHFFFAOYSA-N -1 0 341.407 3.986 20 0 EHADRM Cc1c(CNC(=O)N=c2[n-]nc(C(C)(C)C)s2)oc2ccccc12 ZINC000523764778 1028598523 /nfs/dbraw/zinc/59/85/23/1028598523.db2.gz IFWHYEKMBBGXCP-UHFFFAOYSA-N -1 0 344.440 3.634 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)c1cccc(Cl)c1)C(=O)[O-] ZINC000237407618 1028649331 /nfs/dbraw/zinc/64/93/31/1028649331.db2.gz ZRNIITJFOORHNQ-CYBMUJFWSA-N -1 0 331.799 3.703 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1ccc(OC(F)F)cc1 ZINC000237607651 1028658597 /nfs/dbraw/zinc/65/85/97/1028658597.db2.gz FDJFAWQANMSIGH-OAHLLOKOSA-N -1 0 349.333 3.542 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1cccc(F)c1Cl ZINC000237663872 1028659433 /nfs/dbraw/zinc/65/94/33/1028659433.db2.gz LNNXRGXHMNBYST-AWEZNQCLSA-N -1 0 335.762 3.733 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N2CCC[C@H]3CCCC[C@H]32)cc1C ZINC000246860538 1028706644 /nfs/dbraw/zinc/70/66/44/1028706644.db2.gz CGRYKKRFFNVXMI-JTUHZDRVSA-N -1 0 333.497 3.592 20 0 EHADRM Cc1ccc(C)c(CN(C)C(=O)N=c2nc(C(C)(C)C)[n-]s2)c1 ZINC000429743885 1028721231 /nfs/dbraw/zinc/72/12/31/1028721231.db2.gz ONFZPJCWTHKTCI-UHFFFAOYSA-N -1 0 332.473 3.538 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N2CCC[C@H]3CCCC[C@H]32)c(C)c1 ZINC000247025637 1028729355 /nfs/dbraw/zinc/72/93/55/1028729355.db2.gz DLDRUZPDFRAICR-SEPYTNNBSA-N -1 0 333.497 3.592 20 0 EHADRM CO[C@@H](C)c1nsc(=NCCCOc2ccc(Cl)cc2C)[n-]1 ZINC000509669190 1028731351 /nfs/dbraw/zinc/73/13/51/1028731351.db2.gz YXWVWHKHXREDSB-NSHDSACASA-N -1 0 341.864 3.510 20 0 EHADRM COCc1cc(Cl)ccc1[N-]S(=O)(=O)c1sc(C)cc1C ZINC000424079184 1028779083 /nfs/dbraw/zinc/77/90/83/1028779083.db2.gz FYQOWPQDICZPMU-UHFFFAOYSA-N -1 0 345.873 3.966 20 0 EHADRM O=C([O-])CC1(CC(=O)N[C@@H](CC(F)F)c2ccccc2)CCCC1 ZINC000421802510 1028789174 /nfs/dbraw/zinc/78/91/74/1028789174.db2.gz GWMVDRNKKVRTMH-AWEZNQCLSA-N -1 0 339.382 3.924 20 0 EHADRM [O-]c1cc(Cl)ccc1-c1nc(-c2cnn(-c3ccccc3)c2)no1 ZINC000445439050 1028796521 /nfs/dbraw/zinc/79/65/21/1028796521.db2.gz YCYXJYNIKQADOX-UHFFFAOYSA-N -1 0 338.754 3.948 20 0 EHADRM CC(=O)c1ccc(C(=O)N=c2[n-]nc(CC3CCCCC3)s2)s1 ZINC000504650012 1028801132 /nfs/dbraw/zinc/80/11/32/1028801132.db2.gz LGSNCLNYPUMJKD-UHFFFAOYSA-N -1 0 349.481 3.599 20 0 EHADRM Cc1ccc(C(C)C)c(OCC(=O)N=c2nc(C(C)(C)C)[n-]s2)c1 ZINC000524101894 1028861932 /nfs/dbraw/zinc/86/19/32/1028861932.db2.gz PXFWOJSABZHBOD-UHFFFAOYSA-N -1 0 347.484 3.707 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)Cc1ccccc1OC(C)C ZINC000262564255 1028872172 /nfs/dbraw/zinc/87/21/72/1028872172.db2.gz XKNGHIWXAXKNQQ-UHFFFAOYSA-N -1 0 341.407 3.970 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000424254783 1028913734 /nfs/dbraw/zinc/91/37/34/1028913734.db2.gz TWEZWXKKMSPYFQ-AEFFLSMTSA-N -1 0 331.456 3.810 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2ccc(OC3CCCCC3)cc2)C1 ZINC000532868932 1028978133 /nfs/dbraw/zinc/97/81/33/1028978133.db2.gz VHVZJZKGRVQKIF-HNNXBMFYSA-N -1 0 345.439 3.725 20 0 EHADRM C[C@H]1CCC[C@@H](N(C)C(=O)N=c2[n-]nc(-c3ccsc3)s2)C1 ZINC000503057594 1029013871 /nfs/dbraw/zinc/01/38/71/1029013871.db2.gz YFDNQUNOCXQDIJ-CMPLNLGQSA-N -1 0 336.486 3.731 20 0 EHADRM Cc1ccc(-c2ncco2)cc1NC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000424383083 1029038711 /nfs/dbraw/zinc/03/87/11/1029038711.db2.gz OYFJCABNIFWFIG-CQSZACIVSA-N -1 0 345.399 3.518 20 0 EHADRM C[C@@H](NC(=O)CC1(C(=O)[O-])CCCCC1)c1ccc(F)cc1F ZINC000320046479 1029205194 /nfs/dbraw/zinc/20/51/94/1029205194.db2.gz RUGKZWJGFDXIAH-LLVKDONJSA-N -1 0 325.355 3.567 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)CCc1ccc(Cl)s1 ZINC000271937135 1029237866 /nfs/dbraw/zinc/23/78/66/1029237866.db2.gz DGJJPZQAOFUOIQ-UHFFFAOYSA-N -1 0 331.865 3.876 20 0 EHADRM O=C([O-])CN(C(=O)Nc1cccc(C(F)(F)F)c1)C1CCCC1 ZINC000320394101 1029283122 /nfs/dbraw/zinc/28/31/22/1029283122.db2.gz UGXOIBLLPNRKOO-UHFFFAOYSA-N -1 0 330.306 3.567 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)[C@H]1Cc2cc(F)ccc2O1 ZINC000154708369 1029290625 /nfs/dbraw/zinc/29/06/25/1029290625.db2.gz CPAIQAUDKIABAI-CYBMUJFWSA-N -1 0 342.153 3.780 20 0 EHADRM CC(C)Oc1cccc([C@H](C)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000236774178 1029468013 /nfs/dbraw/zinc/46/80/13/1029468013.db2.gz MYDABLFMARAWCQ-XKQJLSEDSA-N -1 0 333.428 3.542 20 0 EHADRM CCc1oc(C(=O)Nc2cc(C)c(Cl)cc2OC)cc1C(=O)[O-] ZINC000261682416 1029482172 /nfs/dbraw/zinc/48/21/72/1029482172.db2.gz QQEKZRXMTMJFIA-UHFFFAOYSA-N -1 0 337.759 3.763 20 0 EHADRM COc1cccc([C@@H]2CCCN2C(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000262418887 1029590557 /nfs/dbraw/zinc/59/05/57/1029590557.db2.gz QERPUVCIFZMHPX-KRWDZBQOSA-N -1 0 343.354 3.510 20 0 EHADRM C[C@@H](O)C[C@H](CN=c1nc(C2CCCC2)[n-]s1)c1ccccc1 ZINC000420604738 1029617849 /nfs/dbraw/zinc/61/78/49/1029617849.db2.gz SWWLDORXPKWSOS-CZUORRHYSA-N -1 0 331.485 3.584 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000262809148 1029637774 /nfs/dbraw/zinc/63/77/74/1029637774.db2.gz AYKBETDFBLXPSP-RVPKQNPDSA-N -1 0 341.810 3.588 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)cc1 ZINC000262821210 1029639612 /nfs/dbraw/zinc/63/96/12/1029639612.db2.gz AVIIRUPILGCVLY-AMKSKSKJSA-N -1 0 345.345 3.895 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000262856269 1029644361 /nfs/dbraw/zinc/64/43/61/1029644361.db2.gz IHPSSGRWHSJAHW-RHSMWYFYSA-N -1 0 335.419 3.717 20 0 EHADRM CC1(c2ccccc2)CCN(C(=O)c2ccc(C(=O)[O-])cc2F)CC1 ZINC000262864920 1029646348 /nfs/dbraw/zinc/64/63/48/1029646348.db2.gz VTYZDZMVPBXJBL-UHFFFAOYSA-N -1 0 341.382 3.718 20 0 EHADRM Cc1nc(NC(=O)NC(C)(C)CCC(=O)[O-])ccc1-c1ccccc1 ZINC000262972008 1029654251 /nfs/dbraw/zinc/65/42/51/1029654251.db2.gz APSRRMRTGIGWPX-UHFFFAOYSA-N -1 0 341.411 3.822 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000263038594 1029658888 /nfs/dbraw/zinc/65/88/88/1029658888.db2.gz RIINXMQUFQABDK-GOSISDBHSA-N -1 0 349.427 3.922 20 0 EHADRM C[C@@H](Oc1ccccc1NC(=O)N(C)CCC(=O)[O-])c1ccccc1 ZINC000263042129 1029661061 /nfs/dbraw/zinc/66/10/61/1029661061.db2.gz MBRBGVDEESQONG-CQSZACIVSA-N -1 0 342.395 3.765 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)c1cc2ccccc2cc1OC(F)F ZINC000263059675 1029661960 /nfs/dbraw/zinc/66/19/60/1029661960.db2.gz XCTOVWDQAMVWMT-CYBMUJFWSA-N -1 0 349.333 3.521 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CSc1ccc2ccccc2c1 ZINC000263088807 1029666303 /nfs/dbraw/zinc/66/63/03/1029666303.db2.gz BYMJYPBTEGDSDX-CJNGLKHVSA-N -1 0 343.448 3.644 20 0 EHADRM COCc1cc(NC(=O)[C@@H](c2ccccc2)C(C)C)cc(C(=O)[O-])c1 ZINC000263103090 1029667643 /nfs/dbraw/zinc/66/76/43/1029667643.db2.gz OPPHCDXKBDFELI-GOSISDBHSA-N -1 0 341.407 3.910 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(Cc2csc(Nc3ccccc3)n2)C1 ZINC000263162264 1029670438 /nfs/dbraw/zinc/67/04/38/1029670438.db2.gz QTNPUSJRLWKOJY-AWEZNQCLSA-N -1 0 345.468 3.964 20 0 EHADRM Cc1ccc(SC2(C(=O)N3CC[C@@H](C(=O)[O-])[C@H]3C)CCCC2)cc1 ZINC000263177548 1029671238 /nfs/dbraw/zinc/67/12/38/1029671238.db2.gz LHZOBPPXEZIZAW-GDBMZVCRSA-N -1 0 347.480 3.722 20 0 EHADRM O=C([O-])C1(CNC(=O)c2cc3c(cccc3F)s2)CCCCC1 ZINC000322058862 1029673179 /nfs/dbraw/zinc/67/31/79/1029673179.db2.gz LMXGSEDBMCWGNI-UHFFFAOYSA-N -1 0 335.400 3.805 20 0 EHADRM CCCCOc1ccc(NC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c(C)c1 ZINC000263199055 1029673287 /nfs/dbraw/zinc/67/32/87/1029673287.db2.gz WYOKQKUPXGKQBO-ZFWWWQNUSA-N -1 0 348.443 3.748 20 0 EHADRM COc1ccc([C@@H]2CCCCCN2C(=O)CC2(C(=O)[O-])CCC2)cc1 ZINC000262570965 1029674565 /nfs/dbraw/zinc/67/45/65/1029674565.db2.gz ZBYLAPKSUYDYDJ-KRWDZBQOSA-N -1 0 345.439 3.784 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(c2ccnc3c(Br)cccc23)C1 ZINC000263279729 1029683972 /nfs/dbraw/zinc/68/39/72/1029683972.db2.gz XDYWZACVOCGCDS-QWRGUYRKSA-N -1 0 349.228 3.544 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000263321764 1029687199 /nfs/dbraw/zinc/68/71/99/1029687199.db2.gz NQVCKLHINGLRGN-RHSMWYFYSA-N -1 0 341.407 3.979 20 0 EHADRM CCc1c(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cnn1CC(C)C ZINC000263328888 1029688687 /nfs/dbraw/zinc/68/86/87/1029688687.db2.gz PMGSDDWGWQXEOS-CYBMUJFWSA-N -1 0 343.427 3.542 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)C2(c3ccccc3F)CC2)cc1 ZINC000263333900 1029688902 /nfs/dbraw/zinc/68/89/02/1029688902.db2.gz QKXKHCBVWAJREY-LBPRGKRZSA-N -1 0 327.355 3.684 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@H](C)OC2CCCCCC2)cc1 ZINC000263363240 1029691193 /nfs/dbraw/zinc/69/11/93/1029691193.db2.gz YZMJRYAZOKVWEH-KGLIPLIRSA-N -1 0 333.428 3.941 20 0 EHADRM CCN(CC(C)(C)C)C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263377233 1029693616 /nfs/dbraw/zinc/69/36/16/1029693616.db2.gz CDURCIRKXSHENV-INIZCTEOSA-N -1 0 334.460 3.540 20 0 EHADRM O=C([O-])c1ccnc(C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1 ZINC000263418257 1029696266 /nfs/dbraw/zinc/69/62/66/1029696266.db2.gz OPUBEFKGJKBWKR-GOSISDBHSA-N -1 0 349.390 3.629 20 0 EHADRM C[C@H](CN(C)C(=O)Nc1ccccc1SC1CCCC1)C(=O)[O-] ZINC000263482323 1029702535 /nfs/dbraw/zinc/70/25/35/1029702535.db2.gz LIIVNXNIXWYGNR-GFCCVEGCSA-N -1 0 336.457 3.906 20 0 EHADRM CCOc1ccc(NC(=O)NC(C)(C)CCC(=O)[O-])cc1Cl ZINC000263484523 1029703636 /nfs/dbraw/zinc/70/36/36/1029703636.db2.gz MAZFNSRFUMPWHS-UHFFFAOYSA-N -1 0 328.796 3.504 20 0 EHADRM COCC[C@@H](Cc1cccc(F)c1)Nc1cccc(CCC(=O)[O-])c1 ZINC000263526682 1029709632 /nfs/dbraw/zinc/70/96/32/1029709632.db2.gz UGMZDDFKQMVYON-IBGZPJMESA-N -1 0 345.414 3.903 20 0 EHADRM O=C([O-])C1CCC(Nc2ncc(Cl)cc2Br)CC1 ZINC000263566124 1029712139 /nfs/dbraw/zinc/71/21/39/1029712139.db2.gz WIYISFFOCJFJOI-UHFFFAOYSA-N -1 0 333.613 3.553 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)NCc2ccc3ccccc3c2)s1 ZINC000525222957 1029752361 /nfs/dbraw/zinc/75/23/61/1029752361.db2.gz ZALMPTVGVLIISX-UHFFFAOYSA-N -1 0 340.452 3.633 20 0 EHADRM CCC[C@]1(COC)CCCN1C(=O)CCCc1ccc(O)c(F)c1 ZINC000446696046 1029759613 /nfs/dbraw/zinc/75/96/13/1029759613.db2.gz JCZPFTVRDFTQTO-LJQANCHMSA-N -1 0 337.435 3.662 20 0 EHADRM CCCc1cnc([N-]S(=O)(=O)Cc2ccccc2Cl)s1 ZINC000446761306 1029793616 /nfs/dbraw/zinc/79/36/16/1029793616.db2.gz NFNIWVVESIKJOK-UHFFFAOYSA-N -1 0 330.862 3.691 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC000583419137 1029800662 /nfs/dbraw/zinc/80/06/62/1029800662.db2.gz DBZORSQZHDOIAM-IUODEOHRSA-N -1 0 336.432 3.795 20 0 EHADRM COCCC[C@@H](CN=c1[n-]nc(C)s1)c1ccc(Cl)cc1 ZINC000343226706 1029820079 /nfs/dbraw/zinc/82/00/79/1029820079.db2.gz SLAPBLJGOAPNHL-ZDUSSCGKSA-N -1 0 325.865 3.544 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)C(C)(C)c2ccccc2C)sc1C(=O)[O-] ZINC000262584181 1029857767 /nfs/dbraw/zinc/85/77/67/1029857767.db2.gz RSEGUEQCYNCDDA-GFCCVEGCSA-N -1 0 346.452 3.613 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(SC(F)(F)F)cc2)C1 ZINC000261636098 1029923417 /nfs/dbraw/zinc/92/34/17/1029923417.db2.gz CQKBRQPLRZDVGE-AWEZNQCLSA-N -1 0 347.358 3.625 20 0 EHADRM Cc1cc(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)ccc1CO ZINC001211584862 1029977352 /nfs/dbraw/zinc/97/73/52/1029977352.db2.gz DOCVFRZRTLKGGC-UHFFFAOYSA-N -1 0 343.404 3.631 20 0 EHADRM Cc1cc(F)c(S(=O)(=O)[N-]c2cccc3c2ccn3C)cc1F ZINC000531896633 1029999138 /nfs/dbraw/zinc/99/91/38/1029999138.db2.gz WWAVZGBNVMCVEG-UHFFFAOYSA-N -1 0 336.363 3.566 20 0 EHADRM Cc1c(C(=O)[O-])sc2ncnc(N3CCc4sccc4[C@@H]3C)c12 ZINC000322051728 1030018881 /nfs/dbraw/zinc/01/88/81/1030018881.db2.gz XFNSYTWEYSOGJH-VIFPVBQESA-N -1 0 345.449 3.883 20 0 EHADRM CC[C@@H](NC(=O)c1cc(Cl)c2ccccc2c1[O-])c1noc(C)n1 ZINC000092223929 1030040389 /nfs/dbraw/zinc/04/03/89/1030040389.db2.gz BGIDJGXDDXWFBT-CQSZACIVSA-N -1 0 345.786 3.771 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cc(C)cc(OC)c2C)s1 ZINC000447261374 1030050253 /nfs/dbraw/zinc/05/02/53/1030050253.db2.gz WNVMEBCSALKOJP-UHFFFAOYSA-N -1 0 325.455 3.737 20 0 EHADRM CCSCc1ccnc([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000090367857 1030104819 /nfs/dbraw/zinc/10/48/19/1030104819.db2.gz HCXPCVVMLVCLFL-UHFFFAOYSA-N -1 0 342.873 3.789 20 0 EHADRM CC(C)=C[C@H]1[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C)s2)C1(C)C ZINC000042317058 1030137956 /nfs/dbraw/zinc/13/79/56/1030137956.db2.gz CGSMOWUOMJCVGN-AAEUAGOBSA-N -1 0 327.471 3.940 20 0 EHADRM CSCc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C)s2)cc1 ZINC000042318611 1030152051 /nfs/dbraw/zinc/15/20/51/1030152051.db2.gz DVKIVNBOLNAMLM-UHFFFAOYSA-N -1 0 341.479 3.613 20 0 EHADRM Cc1ccc(CN=c2[n-]nc(-c3ccccc3)o2)cc1Br ZINC000508598328 1030190393 /nfs/dbraw/zinc/19/03/93/1030190393.db2.gz KWMYJGCPBJCPLA-UHFFFAOYSA-N -1 0 344.212 3.842 20 0 EHADRM CC(C)[C@@H]1CCCCN1C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000447517485 1030239122 /nfs/dbraw/zinc/23/91/22/1030239122.db2.gz KZBINUYGPOQFOE-HNNXBMFYSA-N -1 0 347.846 3.882 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCS[C@@H]2CCCC[C@H]21 ZINC000158084891 1030264715 /nfs/dbraw/zinc/26/47/15/1030264715.db2.gz AKAYJJWBLVCPEL-CHWSQXEVSA-N -1 0 329.824 3.685 20 0 EHADRM CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)cc1 ZINC000525964606 1030275641 /nfs/dbraw/zinc/27/56/41/1030275641.db2.gz JUBWSWCHOJJPKC-UHFFFAOYSA-N -1 0 337.379 3.580 20 0 EHADRM CCN(Cc1cccs1)Cc1nc2cc(C(=O)[O-])ccc2n1CC ZINC000583636272 1030316914 /nfs/dbraw/zinc/31/69/14/1030316914.db2.gz PVRFBHJGMZZMRO-UHFFFAOYSA-N -1 0 343.452 3.838 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000583660874 1030385837 /nfs/dbraw/zinc/38/58/37/1030385837.db2.gz QFCAUMVTNTZAAX-ZDUSSCGKSA-N -1 0 349.352 3.904 20 0 EHADRM CC[C@H](NC(=O)NCc1ccc(O)c(Br)c1)C(C)(C)C ZINC000482468725 1030453028 /nfs/dbraw/zinc/45/30/28/1030453028.db2.gz JWLBEPOPNYGCQZ-ZDUSSCGKSA-N -1 0 343.265 3.779 20 0 EHADRM C[C@H](NC(=O)N=c1ncn(C(C)(C)C)[n-]1)c1cc2ccccc2s1 ZINC000526950074 1030498617 /nfs/dbraw/zinc/49/86/17/1030498617.db2.gz REZOWJBTAPZXQR-NSHDSACASA-N -1 0 343.456 3.552 20 0 EHADRM CCCC[C@@H](CC)C(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000447893116 1030572917 /nfs/dbraw/zinc/57/29/17/1030572917.db2.gz KVHNBDLYSCUIDU-SJKOYZFVSA-N -1 0 348.418 3.635 20 0 EHADRM CCSc1n[n-]c(=NCc2cccc(-c3ccccn3)c2)s1 ZINC000447959714 1030629925 /nfs/dbraw/zinc/62/99/25/1030629925.db2.gz RYTAHLITWNZHKU-UHFFFAOYSA-N -1 0 328.466 3.746 20 0 EHADRM CC(C)C[C@@H]1CCN(C(=O)N=c2nc(-c3ccsc3)[n-]s2)C1 ZINC000447991232 1030644853 /nfs/dbraw/zinc/64/48/53/1030644853.db2.gz NYOBCOOBVYBOFV-NSHDSACASA-N -1 0 336.486 3.588 20 0 EHADRM C[C@@H]1CCC[C@@H](C)N(C(=O)N=c2nc(-c3ccsc3)[n-]s2)C1 ZINC000448005913 1030662644 /nfs/dbraw/zinc/66/26/44/1030662644.db2.gz XIHHLMMPKCHUFP-GHMZBOCLSA-N -1 0 336.486 3.731 20 0 EHADRM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000666028980 1030673560 /nfs/dbraw/zinc/67/35/60/1030673560.db2.gz FZUZVYRWZPUYHH-BXUZGUMPSA-N -1 0 349.381 3.507 20 0 EHADRM Cc1ccccc1Sc1ccc(C(=O)N=c2[n-]ncs2)cc1 ZINC000448145247 1030748925 /nfs/dbraw/zinc/74/89/25/1030748925.db2.gz BTTPHCZIUUNIAT-UHFFFAOYSA-N -1 0 327.434 3.672 20 0 EHADRM Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2cc(-c3n[nH]c(=O)[n-]3)ccc2C)c1 ZINC000626846026 1030772671 /nfs/dbraw/zinc/77/26/71/1030772671.db2.gz LSSDBEFKWHCNCM-JKSUJKDBSA-N -1 0 348.406 3.536 20 0 EHADRM CC(C)[C@H](NC(=O)N=c1ccc(C2CC2)n[n-]1)c1ccc(F)cc1F ZINC000448154992 1030777864 /nfs/dbraw/zinc/77/78/64/1030777864.db2.gz MRIZRCZEHKPJBP-KRWDZBQOSA-N -1 0 346.381 3.573 20 0 EHADRM O=C(c1nn(-c2ccc(F)cc2)cc1[O-])N1CCCC2(CCCC2)C1 ZINC000527369192 1030832168 /nfs/dbraw/zinc/83/21/68/1030832168.db2.gz HHGKGIOCSZNZQQ-UHFFFAOYSA-N -1 0 343.402 3.513 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(c2ccnc3cccnc32)CC1 ZINC000668168609 1030832717 /nfs/dbraw/zinc/83/27/17/1030832717.db2.gz KEJXBTNRTRSEQQ-UHFFFAOYSA-N -1 0 333.391 3.712 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)[C@@H](C)CCCc2ccccc2)C1 ZINC000262868175 1030937390 /nfs/dbraw/zinc/93/73/90/1030937390.db2.gz FXDREPAEXHYXFI-JXFKEZNVSA-N -1 0 331.456 3.605 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-]c2ncc(C(C)C)s2)c(F)c1 ZINC000194594628 1030974420 /nfs/dbraw/zinc/97/44/20/1030974420.db2.gz QDRDIBKIVMRSAD-UHFFFAOYSA-N -1 0 328.434 3.656 20 0 EHADRM CCC1(CC)CN(C(=O)C2CCC(C(=O)[O-])CC2)c2ccccc21 ZINC000262888582 1031027671 /nfs/dbraw/zinc/02/76/71/1031027671.db2.gz GPRIBPLWLOFPOU-UHFFFAOYSA-N -1 0 329.440 3.982 20 0 EHADRM COCCCOc1ccc(Nc2ccc(C)c(C(=O)[O-])c2)cc1F ZINC001211601805 1031045275 /nfs/dbraw/zinc/04/52/75/1031045275.db2.gz LUAAFCYMDRVEGK-UHFFFAOYSA-N -1 0 333.359 3.991 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 ZINC000583882862 1031048210 /nfs/dbraw/zinc/04/82/10/1031048210.db2.gz VJJADTYFJYGTLZ-LLVKDONJSA-N -1 0 332.400 3.856 20 0 EHADRM O=C([O-])C[C@H]1CCCN(c2ccc(-c3ccc(Cl)s3)nn2)C1 ZINC000650772777 1031141410 /nfs/dbraw/zinc/14/14/10/1031141410.db2.gz FJOUWPQMQGVFQW-SNVBAGLBSA-N -1 0 337.832 3.550 20 0 EHADRM Cc1n[n-]c(=NC(=O)NCc2cccc(-c3ccc(C)cc3)c2)s1 ZINC000343531013 1031270509 /nfs/dbraw/zinc/27/05/09/1031270509.db2.gz CBWMTVLRKKHBNP-UHFFFAOYSA-N -1 0 338.436 3.566 20 0 EHADRM COc1ccc(C(=O)[O-])cc1NCc1ccc(OCC(F)F)cc1 ZINC000551420674 1031314744 /nfs/dbraw/zinc/31/47/44/1031314744.db2.gz KSJQWZZSEGXLJV-UHFFFAOYSA-N -1 0 337.322 3.649 20 0 EHADRM CC(C)(C)[C@@H]1CCCN1C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000668264381 1031339822 /nfs/dbraw/zinc/33/98/22/1031339822.db2.gz XEFTYINMEXGFHR-HNNXBMFYSA-N -1 0 347.846 3.882 20 0 EHADRM Cc1cccc2cc(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)sc21 ZINC000668281923 1031381572 /nfs/dbraw/zinc/38/15/72/1031381572.db2.gz GAJSQYOBFHENRX-CYBMUJFWSA-N -1 0 331.437 3.927 20 0 EHADRM CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCCC[C@H]1C(=O)[O-] ZINC000158489868 1031381979 /nfs/dbraw/zinc/38/19/79/1031381979.db2.gz WJSHAQXTPQKEMW-KRWDZBQOSA-N -1 0 346.471 3.811 20 0 EHADRM COc1cccc(-c2nc(=NC(=O)[C@H]3CC34CCCCC4)s[n-]2)c1 ZINC000477252863 1031385210 /nfs/dbraw/zinc/38/52/10/1031385210.db2.gz RGSJOJNYNLGFMT-CQSZACIVSA-N -1 0 343.452 3.545 20 0 EHADRM Cc1noc(C)c1C[C@H](C)N=c1nc(-c2ccccc2C)[n-]s1 ZINC000527899248 1031401509 /nfs/dbraw/zinc/40/15/09/1031401509.db2.gz MNKHXIWQKMWZTG-NSHDSACASA-N -1 0 328.441 3.583 20 0 EHADRM CC[C@H](C)[C@@H](OC)C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000668289834 1031405565 /nfs/dbraw/zinc/40/55/65/1031405565.db2.gz FBCHRGLPCVHFOX-BOFPYLFWSA-N -1 0 343.423 3.533 20 0 EHADRM CO[C@@](C)(C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1)c1ccccc1F ZINC000668293326 1031413022 /nfs/dbraw/zinc/41/30/22/1031413022.db2.gz XYROGBIYKKGARK-HXPMCKFVSA-N -1 0 345.370 3.514 20 0 EHADRM CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000668298692 1031423813 /nfs/dbraw/zinc/42/38/13/1031423813.db2.gz HLCBCYYCIHUBFN-QGZVFWFLSA-N -1 0 345.370 3.756 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)N([C@@H](C)C2CC2)C2CC2)cc1 ZINC000176436986 1031437557 /nfs/dbraw/zinc/43/75/57/1031437557.db2.gz ATPFFCOVXWSLDY-LFVRLGFBSA-N -1 0 333.497 3.707 20 0 EHADRM Cc1ccccc1-c1nc(=N[C@H](c2cnn(C)c2)C(C)(C)C)s[n-]1 ZINC000527918940 1031455875 /nfs/dbraw/zinc/45/58/75/1031455875.db2.gz PLWOWYLCMRYGQC-OAHLLOKOSA-N -1 0 341.484 3.868 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000194762527 1031490214 /nfs/dbraw/zinc/49/02/14/1031490214.db2.gz UZZSGRSLPUQASN-ZDUSSCGKSA-N -1 0 341.810 3.749 20 0 EHADRM O=C([O-])CCCCC(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000668322968 1031490894 /nfs/dbraw/zinc/49/08/94/1031490894.db2.gz LONUZILPBLCLHZ-MQMHXKEQSA-N -1 0 343.345 3.713 20 0 EHADRM CC[C@@H](C)c1nnc([C@@H](C)N=c2nc(-c3ccccc3C)[n-]s2)[nH]1 ZINC000527977126 1031511943 /nfs/dbraw/zinc/51/19/43/1031511943.db2.gz DAJBIOBLMNPZOK-ZYHUDNBSSA-N -1 0 342.472 3.740 20 0 EHADRM CCCCc1nnc([N-]S(=O)(=O)c2ccc([C@H](C)CC)cc2)o1 ZINC000194802612 1031530043 /nfs/dbraw/zinc/53/00/43/1031530043.db2.gz IRWVSWRPJSTWMG-GFCCVEGCSA-N -1 0 337.445 3.727 20 0 EHADRM CC(C)[C@H]1C[C@](NCc2nccn2C(C)C)(C(=O)[O-])c2ccccc21 ZINC000904011052 1031627475 /nfs/dbraw/zinc/62/74/75/1031627475.db2.gz WTWUQPNEWHGWQL-OXQOHEQNSA-N -1 0 341.455 3.677 20 0 EHADRM CC(C)(C)OC(=O)Cc1noc(-c2cc(Cl)cc(Cl)c2[O-])n1 ZINC000904034811 1031644702 /nfs/dbraw/zinc/64/47/02/1031644702.db2.gz QSCQHJSCEVDSGN-UHFFFAOYSA-N -1 0 345.182 3.633 20 0 EHADRM CC(C)c1ccccc1S(=O)(=O)[N-]c1nnc(CC2CCCC2)o1 ZINC000194898822 1031651461 /nfs/dbraw/zinc/65/14/61/1031651461.db2.gz AGXNDRGQHHOWIZ-UHFFFAOYSA-N -1 0 349.456 3.727 20 0 EHADRM O=C([O-])C[C@H](NCc1cccc(OC2CC2)c1F)c1ccccc1F ZINC000904044537 1031661864 /nfs/dbraw/zinc/66/18/64/1031661864.db2.gz COBOJQHQDIUZSW-INIZCTEOSA-N -1 0 347.361 3.812 20 0 EHADRM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cc(C)c(F)cc2F)c1 ZINC000084650113 1031662985 /nfs/dbraw/zinc/66/29/85/1031662985.db2.gz VHFOHZCMLUNSPD-NSHDSACASA-N -1 0 341.379 3.781 20 0 EHADRM CO[C@H](C)c1nc(=NCc2ccccc2OC2CCCC2)s[n-]1 ZINC000509662698 1031719252 /nfs/dbraw/zinc/71/92/52/1031719252.db2.gz ADMSSCFKVJZEIG-GFCCVEGCSA-N -1 0 333.457 3.601 20 0 EHADRM COc1ccc(C2(NC(=O)Cc3ccc(O)c(F)c3)CCCC2)cc1 ZINC000448859333 1031765819 /nfs/dbraw/zinc/76/58/19/1031765819.db2.gz YIEYJQOZEOIJLN-UHFFFAOYSA-N -1 0 343.398 3.668 20 0 EHADRM CSc1ccccc1NCc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904198503 1031846178 /nfs/dbraw/zinc/84/61/78/1031846178.db2.gz GEGPFVUFBGUWGF-UHFFFAOYSA-N -1 0 346.452 3.915 20 0 EHADRM O=C([O-])N[C@H]1C[C@@H](Nc2ccc(-n3cccn3)c(Cl)c2)C12CCC2 ZINC000904200926 1031848579 /nfs/dbraw/zinc/84/85/79/1031848579.db2.gz VUGANBVTBKTCNS-CABCVRRESA-N -1 0 346.818 3.516 20 0 EHADRM CC(F)(F)c1ccc(CNC(=O)C[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000666104207 1031862998 /nfs/dbraw/zinc/86/29/98/1031862998.db2.gz KMMRLWHTEFNFGQ-INIZCTEOSA-N -1 0 347.361 3.673 20 0 EHADRM c1coc(CN=c2[n-]nc(SCc3ccc4c(c3)CCC4)s2)c1 ZINC000484692668 1031887583 /nfs/dbraw/zinc/88/75/83/1031887583.db2.gz CLQJCSPFIZCZHE-UHFFFAOYSA-N -1 0 343.477 3.946 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)cc1 ZINC000181209985 1031955348 /nfs/dbraw/zinc/95/53/48/1031955348.db2.gz MAYFMJYACLXVHD-UHFFFAOYSA-N -1 0 348.371 3.623 20 0 EHADRM Cc1ccc(NS(=O)(=O)c2cccc(C(C)C)c2)cc1C(=O)[O-] ZINC000484791988 1031963549 /nfs/dbraw/zinc/96/35/49/1031963549.db2.gz CUSNEXLGXFOZSA-UHFFFAOYSA-N -1 0 333.409 3.617 20 0 EHADRM CCc1onc(C)c1[N-]S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC000134762657 1031990610 /nfs/dbraw/zinc/99/06/10/1031990610.db2.gz TUWHUBPBSZAHJO-UHFFFAOYSA-N -1 0 348.346 3.673 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ncoc1[C@H]1CCCO1 ZINC000159279543 1031994149 /nfs/dbraw/zinc/99/41/49/1031994149.db2.gz FNGOACPSGZFGAV-SNVBAGLBSA-N -1 0 343.166 3.791 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1cn(-c2ccccc2)nn1 ZINC000159321816 1032013411 /nfs/dbraw/zinc/01/34/11/1032013411.db2.gz RRZKWXFCCFRMBP-UHFFFAOYSA-N -1 0 349.177 3.532 20 0 EHADRM CC(C)CC1(C(=O)NC[C@@](C)(C(=O)[O-])c2ccc(F)cc2)CCC1 ZINC000448988103 1032019184 /nfs/dbraw/zinc/01/91/84/1032019184.db2.gz AJULXZMMKVHGMM-GOSISDBHSA-N -1 0 335.419 3.501 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)Cc2ccc(C(=O)[O-])cc2)cc1C ZINC000448986950 1032019208 /nfs/dbraw/zinc/01/92/08/1032019208.db2.gz ZVNTVFLPQTWRPI-LJQANCHMSA-N -1 0 337.419 3.908 20 0 EHADRM CCc1cc(=O)[nH]c(S[C@@H](CC)C(=O)c2ccc(Cl)cc2)n1 ZINC000195074205 1032019898 /nfs/dbraw/zinc/01/98/98/1032019898.db2.gz MNYLEPNOLQFPRB-ZDUSSCGKSA-N -1 0 336.844 3.739 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)c2cc3cccc(F)c3o2)s1 ZINC000607766246 1033308031 /nfs/dbraw/zinc/30/80/31/1033308031.db2.gz WIOQJHGFHSEHBZ-UHFFFAOYSA-N -1 0 333.388 3.830 20 0 EHADRM CC(C)CC(CC(C)C)=NNC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000046590054 1033319290 /nfs/dbraw/zinc/31/92/90/1033319290.db2.gz LMZAGLMOJKTHKD-UHFFFAOYSA-N -1 0 342.443 3.756 20 0 EHADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000263175397 1033325576 /nfs/dbraw/zinc/32/55/76/1033325576.db2.gz LCJYZKLVPGGANY-NHYWBVRUSA-N -1 0 345.345 3.567 20 0 EHADRM CCC(CC)c1nnc([N-]C(=O)c2nc3cccnc3s2)s1 ZINC000278779565 1033392096 /nfs/dbraw/zinc/39/20/96/1033392096.db2.gz XQLPVGYQVLCUCP-UHFFFAOYSA-N -1 0 333.442 3.699 20 0 EHADRM Cc1ccc(Cc2n[n-]c(=NC(=O)c3ccc(Cl)s3)s2)cc1 ZINC000594570569 1033457371 /nfs/dbraw/zinc/45/73/71/1033457371.db2.gz MYJKEHAFQYFZGB-UHFFFAOYSA-N -1 0 349.868 3.826 20 0 EHADRM CN(Cc1ccc2ccccc2c1)C(=O)CC1(C(=O)[O-])CCCC1 ZINC000324589938 1033477668 /nfs/dbraw/zinc/47/76/68/1033477668.db2.gz CTZQXBDWZMBNSK-UHFFFAOYSA-N -1 0 325.408 3.833 20 0 EHADRM CO[C@@H](CN=c1[n-]c(-c2ccccc2)no1)c1ccc(Cl)cc1 ZINC000608090048 1033486566 /nfs/dbraw/zinc/48/65/66/1033486566.db2.gz PNQIMSBAWQYMFR-HNNXBMFYSA-N -1 0 329.787 3.612 20 0 EHADRM CO[C@H](CN=c1[n-]c(-c2ccccc2)no1)c1cccc(Cl)c1 ZINC000608093968 1033488978 /nfs/dbraw/zinc/48/89/78/1033488978.db2.gz NPWIUWBICDHVJE-OAHLLOKOSA-N -1 0 329.787 3.612 20 0 EHADRM CC(C)(C)c1nn(-c2ccccc2Cl)cc1CN=c1[n-]ncs1 ZINC000537506137 1033511141 /nfs/dbraw/zinc/51/11/41/1033511141.db2.gz FYBXAOWSZMZKIA-UHFFFAOYSA-N -1 0 347.875 3.709 20 0 EHADRM Cc1cc(C)cc(C2=CCN(C(=O)c3ccc(C(=O)[O-])cc3)CC2)c1 ZINC000574803780 1033566462 /nfs/dbraw/zinc/56/64/62/1033566462.db2.gz VRXQZYYWVLAGPR-UHFFFAOYSA-N -1 0 335.403 3.931 20 0 EHADRM Cc1ncccc1CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000685564100 1033569429 /nfs/dbraw/zinc/56/94/29/1033569429.db2.gz GSYSXHOLTHZCSY-UHFFFAOYSA-N -1 0 349.419 3.517 20 0 EHADRM CSCc1cccc([N-]S(=O)(=O)c2cnc3ccccc3c2)c1 ZINC000548847119 1033580201 /nfs/dbraw/zinc/58/02/01/1033580201.db2.gz GWSUUFHLNZBLRY-UHFFFAOYSA-N -1 0 344.461 3.899 20 0 EHADRM O=C(c1cc(Br)c(F)cc1[O-])N1CCC[C@H]2CCC[C@@H]21 ZINC000450006755 1033581020 /nfs/dbraw/zinc/58/10/20/1033581020.db2.gz VGZRLKVZKVWGBF-RNCFNFMXSA-N -1 0 342.208 3.699 20 0 EHADRM c1ccc(-c2noc(=NCCCOc3cccc4cccnc43)[n-]2)cc1 ZINC000603392904 1033583415 /nfs/dbraw/zinc/58/34/15/1033583415.db2.gz WLHWPBAWNHCMFB-UHFFFAOYSA-N -1 0 346.390 3.588 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cccc(OC3CCCCC3)c2)C[C@H]1C(=O)[O-] ZINC000574878128 1033670500 /nfs/dbraw/zinc/67/05/00/1033670500.db2.gz PCFSJWNSIOWFTK-RDTXWAMCSA-N -1 0 345.439 3.581 20 0 EHADRM CCCc1ccc(S(=O)(=O)Nc2cccc(C(=O)OC)c2C)cc1 ZINC000603483965 1033670655 /nfs/dbraw/zinc/67/06/55/1033670655.db2.gz METOTVABMXQXFS-UHFFFAOYSA-N -1 0 347.436 3.535 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(c2nc3cc(Cl)cc(Cl)c3o2)C1 ZINC000574860578 1033682188 /nfs/dbraw/zinc/68/21/88/1033682188.db2.gz OBCBPJPAGBLNBQ-QMMMGPOBSA-N -1 0 329.183 3.826 20 0 EHADRM C[C@H](CNC(=O)c1c([O-])cc(F)cc1F)Oc1ccccc1Cl ZINC000608474196 1033702999 /nfs/dbraw/zinc/70/29/99/1033702999.db2.gz ZZIAHZZPWDJKQB-SECBINFHSA-N -1 0 341.741 3.521 20 0 EHADRM O=C(NCCCc1cccc(Br)c1)c1ccccc1O ZINC000595336856 1033732677 /nfs/dbraw/zinc/73/26/77/1033732677.db2.gz LFBPIKVXGDVTGY-UHFFFAOYSA-N -1 0 334.213 3.517 20 0 EHADRM Cc1cccc(C(C)(C)CNC(=O)CC2CCC(C(=O)[O-])CC2)c1 ZINC000575062448 1033772556 /nfs/dbraw/zinc/77/25/56/1033772556.db2.gz MLUPKARXTTYCCV-UHFFFAOYSA-N -1 0 331.456 3.670 20 0 EHADRM COc1ccc2c(c1)[C@H](NC(=O)c1cccc(Cl)c1[O-])CCC2 ZINC000038208165 1033829129 /nfs/dbraw/zinc/82/91/29/1033829129.db2.gz DHGHGSUAFKGHOF-MRXNPFEDSA-N -1 0 331.799 3.862 20 0 EHADRM [O-]c1ccc(Cl)c(F)c1CN1CCO[C@@H](c2cccs2)C1 ZINC000191282815 1033879434 /nfs/dbraw/zinc/87/94/34/1033879434.db2.gz LYSMFVFFNOYIJI-CYBMUJFWSA-N -1 0 327.808 3.820 20 0 EHADRM C/C=C\C[C@@H](NC(=O)c1ccc(Cl)cc1SCC)C(=O)[O-] ZINC000575201966 1033890329 /nfs/dbraw/zinc/89/03/29/1033890329.db2.gz DQBKMOQJPBSWDU-KTLBGCOUSA-N -1 0 327.833 3.601 20 0 EHADRM Cc1cc(Sc2n[n-]c(=Nc3ccc(C)c(Cl)c3)s2)ncn1 ZINC000599448807 1033932341 /nfs/dbraw/zinc/93/23/41/1033932341.db2.gz ZAFHTCLTGILEGR-UHFFFAOYSA-N -1 0 349.872 3.915 20 0 EHADRM CCCSc1nc(=NC(=O)N[C@H](CC)c2cccs2)s[n-]1 ZINC000476483914 1033938388 /nfs/dbraw/zinc/93/83/88/1033938388.db2.gz OTYXBOMKJWVZEB-SECBINFHSA-N -1 0 342.515 3.796 20 0 EHADRM CC(C)(C(=O)[N-]OC1CCC1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000529443635 1033988676 /nfs/dbraw/zinc/98/86/76/1033988676.db2.gz JNWVDANQLDKOCZ-CYBMUJFWSA-N -1 0 332.227 3.653 20 0 EHADRM CN(CCc1nccs1)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000119069199 1034076745 /nfs/dbraw/zinc/07/67/45/1034076745.db2.gz HUOVSUFVBAGYQK-UHFFFAOYSA-N -1 0 346.839 3.970 20 0 EHADRM C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000119163149 1034091585 /nfs/dbraw/zinc/09/15/85/1034091585.db2.gz SRUDRPOAMIWRJS-MGPLVRAMSA-N -1 0 349.789 3.649 20 0 EHADRM Cc1ccsc1CN(C)C(=O)c1cc(Br)ccc1O ZINC000057290636 1034138815 /nfs/dbraw/zinc/13/88/15/1034138815.db2.gz DFUJWIIKJPYUPG-UHFFFAOYSA-N -1 0 340.242 3.797 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2c(C)ccc3cccnc32)cc1F ZINC000476514838 1034167247 /nfs/dbraw/zinc/16/72/47/1034167247.db2.gz QBCZMUIECRIRDU-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM Cc1ccc(C(=O)N=c2[n-]nc(-c3cc(C)cc(C)c3)s2)s1 ZINC000604264903 1034309927 /nfs/dbraw/zinc/30/99/27/1034309927.db2.gz IXNURSDEIVBIRR-UHFFFAOYSA-N -1 0 329.450 3.866 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000192491219 1034374071 /nfs/dbraw/zinc/37/40/71/1034374071.db2.gz JNEISMQYTOXSGA-SECBINFHSA-N -1 0 345.757 3.905 20 0 EHADRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cnc(Cl)c(C)c1 ZINC000228019755 1034427910 /nfs/dbraw/zinc/42/79/10/1034427910.db2.gz JAKSMKKVJAKBCB-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM Cc1cc(C)cc(C(=O)/C(C#N)=C/c2ccc(OCCC(=O)[O-])cc2)c1 ZINC000060421970 1034504609 /nfs/dbraw/zinc/50/46/09/1034504609.db2.gz SSOFDEJTLFENHU-LDADJPATSA-N -1 0 349.386 3.947 20 0 EHADRM CC[C@@H](C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000193450483 1034505876 /nfs/dbraw/zinc/50/58/76/1034505876.db2.gz KLKYTCWJWCYLSO-MSOLQXFVSA-N -1 0 325.408 3.903 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)nc1 ZINC000604839263 1034522629 /nfs/dbraw/zinc/52/26/29/1034522629.db2.gz CPONALLJAGYUIF-UHFFFAOYSA-N -1 0 336.482 3.902 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)c2n[nH]cc21 ZINC000780383491 1034583530 /nfs/dbraw/zinc/58/35/30/1034583530.db2.gz JAJQGKMETPKMFM-UHFFFAOYSA-N -1 0 337.351 3.610 20 0 EHADRM CCCC[C@H](CC)CC(=O)Nc1cc(S(=O)(=O)CC)ccc1[O-] ZINC000605021699 1034596436 /nfs/dbraw/zinc/59/64/36/1034596436.db2.gz KPSZVWAIRNNWBC-ZDUSSCGKSA-N -1 0 341.473 3.731 20 0 EHADRM O=S(=O)([N-][C@H](c1ccccc1)C(F)F)c1ccc(Cl)s1 ZINC000431640791 1034612212 /nfs/dbraw/zinc/61/22/12/1034612212.db2.gz SFWWXCMFGLYEQV-LLVKDONJSA-N -1 0 337.800 3.686 20 0 EHADRM OC[C@@H]1CC[C@H](N=c2[n-]nc(-c3cc(Cl)cc(Cl)c3)s2)C1 ZINC000450650755 1034640582 /nfs/dbraw/zinc/64/05/82/1034640582.db2.gz ZPZAGGKCJGLSHB-PELKAZGASA-N -1 0 344.267 3.507 20 0 EHADRM Cc1c(C(=O)[O-])cccc1-c1cc(F)ccc1OC[C@H]1CCOC1 ZINC000569746144 1034650489 /nfs/dbraw/zinc/65/04/89/1034650489.db2.gz ZMNTVOVLYHQMSZ-ZDUSSCGKSA-N -1 0 330.355 3.915 20 0 EHADRM Cc1nc([N-]S(=O)(=O)c2cccc(C)c2)sc1C(F)(F)F ZINC000669606998 1034663738 /nfs/dbraw/zinc/66/37/38/1034663738.db2.gz WNNQVQLGNYJFEI-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM Cc1cccc(Oc2ccccc2[N-]S(=O)(=O)C[C@@H]2CCCO2)c1 ZINC000605291295 1034675112 /nfs/dbraw/zinc/67/51/12/1034675112.db2.gz ROUWZUDMOQDCSL-INIZCTEOSA-N -1 0 347.436 3.708 20 0 EHADRM CCc1oc(C(=O)N[C@H](C)c2ccccc2SC)cc1C(=O)[O-] ZINC000569826357 1034782078 /nfs/dbraw/zinc/78/20/78/1034782078.db2.gz UFLAMRMWMHNFAM-SNVBAGLBSA-N -1 0 333.409 3.753 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2O)cc1Cl ZINC000605613267 1034802645 /nfs/dbraw/zinc/80/26/45/1034802645.db2.gz BVOJGJAUQNFDBU-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1)c1cccc(F)c1 ZINC000076767026 1034815911 /nfs/dbraw/zinc/81/59/11/1034815911.db2.gz YVALEMYIXVJAOE-SECBINFHSA-N -1 0 343.326 3.553 20 0 EHADRM CC(C)c1noc(=NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)[n-]1 ZINC000605691161 1034819099 /nfs/dbraw/zinc/81/90/99/1034819099.db2.gz SOTGQGDCJYMYHB-HTQZYQBOSA-N -1 0 345.287 3.936 20 0 EHADRM CC(C)c1noc(=N[C@H](C)c2ccc(F)c(Br)c2)[n-]1 ZINC000605694020 1034819718 /nfs/dbraw/zinc/81/97/18/1034819718.db2.gz FOXBYDZHNLRAPT-MRVPVSSYSA-N -1 0 328.185 3.690 20 0 EHADRM C[C@@H](S[C@H](C)C(=O)Nc1ccc(OC2CCCC2)cc1)C(=O)[O-] ZINC000601982498 1034847676 /nfs/dbraw/zinc/84/76/76/1034847676.db2.gz BXVUPDAVGQBYIT-VXGBXAGGSA-N -1 0 337.441 3.541 20 0 EHADRM CCCc1nc2ccccc2n1CCC(=O)Nc1cccc(F)c1O ZINC000530006861 1034851420 /nfs/dbraw/zinc/85/14/20/1034851420.db2.gz WGOFEGBGXNQACY-UHFFFAOYSA-N -1 0 341.386 3.862 20 0 EHADRM CC(C)c1ccc(-c2nc(C[S@](=O)[C@H](C)C(=O)[O-])cs2)cc1 ZINC000612429560 1034915499 /nfs/dbraw/zinc/91/54/99/1034915499.db2.gz QEEBQANDHXSRPI-XFNZEKPQSA-N -1 0 337.466 3.655 20 0 EHADRM O=c1[n-]nc([C@H]2CCC[N@@H+](CCc3c(Cl)cccc3Cl)C2)o1 ZINC000450912536 1034933297 /nfs/dbraw/zinc/93/32/97/1034933297.db2.gz XQPFEDHYUNLTOM-JTQLQIEISA-N -1 0 342.226 3.504 20 0 EHADRM Cc1nc2cc([N-]S(=O)(=O)c3cc(F)c(C)cc3F)ccc2o1 ZINC000121456882 1034958775 /nfs/dbraw/zinc/95/87/75/1034958775.db2.gz LESFRKSWIWMYGU-UHFFFAOYSA-N -1 0 338.335 3.524 20 0 EHADRM CC(C)(C)Cc1csc([N-]S(=O)(=O)c2sccc2F)n1 ZINC000450993587 1035006141 /nfs/dbraw/zinc/00/61/41/1035006141.db2.gz WDRHQLXOZBGQJT-UHFFFAOYSA-N -1 0 334.463 3.733 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1cccc2c1OC(C)(C)CC2 ZINC000530147841 1035007724 /nfs/dbraw/zinc/00/77/24/1035007724.db2.gz NVDWYFIHPQWKKM-UHFFFAOYSA-N -1 0 347.436 3.600 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cnn1CCC(C)C ZINC000451023280 1035020136 /nfs/dbraw/zinc/02/01/36/1035020136.db2.gz KIWOPWUYULTGNW-UHFFFAOYSA-N -1 0 347.484 3.916 20 0 EHADRM CCc1ncsc1[N-]S(=O)(=O)Cc1ccc(C(F)F)cc1 ZINC000451016026 1035033409 /nfs/dbraw/zinc/03/34/09/1035033409.db2.gz QKVVVKYSPYQIJQ-UHFFFAOYSA-N -1 0 332.397 3.585 20 0 EHADRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2sccc2Cl)c1C ZINC000451035716 1035037685 /nfs/dbraw/zinc/03/76/85/1035037685.db2.gz CCNNQMCRDUWQRY-MRVPVSSYSA-N -1 0 333.866 3.678 20 0 EHADRM Cc1cccc(C(=O)NCCCCCCC(=O)[O-])c1Br ZINC000235784607 1035186455 /nfs/dbraw/zinc/18/64/55/1035186455.db2.gz DXUOSGRIOHVREV-UHFFFAOYSA-N -1 0 342.233 3.522 20 0 EHADRM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cc(C)c(C)c(C(=O)[O-])c1 ZINC000431675345 1035194429 /nfs/dbraw/zinc/19/44/29/1035194429.db2.gz HZXKBSARLJXXSB-JTQLQIEISA-N -1 0 330.384 3.739 20 0 EHADRM Cc1cc(NC(=O)c2ccnn2C2CCCC2)cc(C(=O)[O-])c1C ZINC000431681165 1035218138 /nfs/dbraw/zinc/21/81/38/1035218138.db2.gz XMBSJSPNZFGBJR-UHFFFAOYSA-N -1 0 327.384 3.566 20 0 EHADRM Cc1cc(NC(=O)c2occc2Br)cc(C(=O)[O-])c1C ZINC000431687688 1035240812 /nfs/dbraw/zinc/24/08/12/1035240812.db2.gz QMLFZADKCUHRPG-UHFFFAOYSA-N -1 0 338.157 3.609 20 0 EHADRM O=C(c1cc(Cc2ccccc2)ccc1O)N1CCC[C@H]1c1cc[nH]n1 ZINC000376103326 1035269215 /nfs/dbraw/zinc/26/92/15/1035269215.db2.gz PSHHBQWUBXGRSD-IBGZPJMESA-N -1 0 347.418 3.683 20 0 EHADRM FC(F)(F)c1nc(=N[C@H](c2ccccc2)c2ccccn2)s[n-]1 ZINC000376103593 1035269586 /nfs/dbraw/zinc/26/95/86/1035269586.db2.gz NVMCEWQEUGBTDC-GFCCVEGCSA-N -1 0 336.342 3.575 20 0 EHADRM Cc1cscc1[N-]S(=O)(=O)c1ccc(Br)c(C)c1 ZINC000161627587 1035290540 /nfs/dbraw/zinc/29/05/40/1035290540.db2.gz KKVFDGIPORZEDC-UHFFFAOYSA-N -1 0 346.271 3.928 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)NCc2ccc([C@H]3C[C@H]3C)o2)s1 ZINC000612991647 1035340767 /nfs/dbraw/zinc/34/07/67/1035340767.db2.gz ICLIOWOUMCXDQS-YPMHNXCESA-N -1 0 348.472 3.731 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)NCc2ccc([C@@H]3C[C@H]3C)o2)s1 ZINC000613001787 1035347014 /nfs/dbraw/zinc/34/70/14/1035347014.db2.gz YWZQZZHMGOSSFZ-ZWNOBZJWSA-N -1 0 348.472 3.902 20 0 EHADRM CN(CCCOCc1ccccc1)C(=O)c1ccc([O-])c(Cl)c1 ZINC000281675259 1035382486 /nfs/dbraw/zinc/38/24/86/1035382486.db2.gz PETYJUASLQNZQU-UHFFFAOYSA-N -1 0 333.815 3.725 20 0 EHADRM O=C1NC(=O)/C(=C/c2csc(-c3ccsc3)n2)c2ccccc21 ZINC000066407187 1035448176 /nfs/dbraw/zinc/44/81/76/1035448176.db2.gz IDCQDKVGJZNREI-VGOFMYFVSA-N -1 0 338.413 3.682 20 0 EHADRM CC/C=C/CNC(=O)C[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000414081443 1035459362 /nfs/dbraw/zinc/45/93/62/1035459362.db2.gz BKEAOAAKELSMKY-APHBUQMISA-N -1 0 344.238 3.808 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1ccc2ccc(Cl)cc2n1 ZINC000431782700 1035481755 /nfs/dbraw/zinc/48/17/55/1035481755.db2.gz QGTNWWIZLVNUMX-UHFFFAOYSA-N -1 0 334.803 3.652 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)c2ccc3c4c(cccc42)CC3)c1 ZINC000431785386 1035486240 /nfs/dbraw/zinc/48/62/40/1035486240.db2.gz PCZLZLUKNPFGBM-UHFFFAOYSA-N -1 0 345.398 3.609 20 0 EHADRM CC(C)(C(=O)[N-]OCc1cn2cc(Cl)ccc2n1)c1ccccc1 ZINC000066468827 1035487285 /nfs/dbraw/zinc/48/72/85/1035487285.db2.gz QPNYPMSDMOOAMQ-UHFFFAOYSA-N -1 0 343.814 3.513 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(C)cc3cccnc32)c1 ZINC000506994658 1035530893 /nfs/dbraw/zinc/53/08/93/1035530893.db2.gz KUZYFEGKFRLJRQ-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1cccc(-c3ccoc3)c1)CC2 ZINC000431800034 1035579659 /nfs/dbraw/zinc/57/96/59/1035579659.db2.gz VQMGBMMRAQPGGE-UHFFFAOYSA-N -1 0 347.370 3.843 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)N[C@H](CC(=O)[O-])C1CCCCC1 ZINC000540706226 1035584209 /nfs/dbraw/zinc/58/42/09/1035584209.db2.gz JRRADELFIYWMHL-CXAGYDPISA-N -1 0 335.419 3.544 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)NC2(CC(=O)[O-])CCCCC2)cc1 ZINC000540705118 1035584294 /nfs/dbraw/zinc/58/42/94/1035584294.db2.gz YZOKQQDYQHIQQZ-UHFFFAOYSA-N -1 0 333.428 3.771 20 0 EHADRM FC(F)(F)Cc1n[n-]c(=NCc2ccc(Cl)c(Cl)c2)s1 ZINC000540695825 1035598672 /nfs/dbraw/zinc/59/86/72/1035598672.db2.gz DBBANIJMZSHDJG-UHFFFAOYSA-N -1 0 342.173 3.984 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000055558197 1035609671 /nfs/dbraw/zinc/60/96/71/1035609671.db2.gz CZVIYHGNJGJPFY-UHFFFAOYSA-N -1 0 346.817 3.673 20 0 EHADRM CCSCc1ccnc([N-]S(=O)(=O)c2c(C)cccc2F)c1 ZINC000186489253 1035643722 /nfs/dbraw/zinc/64/37/22/1035643722.db2.gz AYWSAXINSXGJAI-UHFFFAOYSA-N -1 0 340.445 3.583 20 0 EHADRM Cc1cc(=NC(=O)NC2CCC(c3ccc(F)cc3)CC2)[n-]nc1C ZINC000543828703 1035648508 /nfs/dbraw/zinc/64/85/08/1035648508.db2.gz AGBONOUDHZHCJJ-UHFFFAOYSA-N -1 0 342.418 3.502 20 0 EHADRM Cc1cc(C(=O)N=c2[n-]nc(C)s2)sc1-c1ccc(F)cc1 ZINC000588016173 1035683779 /nfs/dbraw/zinc/68/37/79/1035683779.db2.gz HYKWPWRPGTZVRI-UHFFFAOYSA-N -1 0 333.413 3.697 20 0 EHADRM Fc1ccc(Cc2n[n-]c(=NCc3cc(Cl)ccc3F)o2)cc1 ZINC000540791939 1035687022 /nfs/dbraw/zinc/68/70/22/1035687022.db2.gz GVQQWJMVUNYFNJ-UHFFFAOYSA-N -1 0 335.741 3.626 20 0 EHADRM Cc1ccc(C)c([N-]S(=O)(=O)c2cccc3cc(C)cnc32)c1 ZINC000024218856 1035736502 /nfs/dbraw/zinc/73/65/02/1035736502.db2.gz CPEGGTIPXKYPKD-UHFFFAOYSA-N -1 0 326.421 3.961 20 0 EHADRM CC(C)COc1cccc(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)c1 ZINC000263097158 1035746320 /nfs/dbraw/zinc/74/63/20/1035746320.db2.gz COHPMDDQZUCHIL-UHFFFAOYSA-N -1 0 345.370 3.740 20 0 EHADRM CC(C)c1cnc([N-]S(=O)(=O)c2cc(F)ccc2Cl)s1 ZINC000174012932 1035833085 /nfs/dbraw/zinc/83/30/85/1035833085.db2.gz LDFOZJANMAHCNI-UHFFFAOYSA-N -1 0 334.825 3.860 20 0 EHADRM CC(C)c1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)cc1 ZINC000045100056 1035844957 /nfs/dbraw/zinc/84/49/57/1035844957.db2.gz CYAUUGIXHKNRSO-UHFFFAOYSA-N -1 0 335.400 3.784 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccnn2[C@H](C)CC(C)C)c1F ZINC000541004867 1035905179 /nfs/dbraw/zinc/90/51/79/1035905179.db2.gz GCXNXJPTWUFBEC-CYBMUJFWSA-N -1 0 339.436 3.739 20 0 EHADRM COc1cc(F)c(S(=O)(=O)[N-]c2cccc(Cl)c2C)c(F)c1 ZINC000588625384 1035921815 /nfs/dbraw/zinc/92/18/15/1035921815.db2.gz KGGUJUMQMBQGLN-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM COc1cc(C2(C(=O)Nc3ccc(F)c(F)c3[O-])CC2)ccc1C ZINC000457303068 1035960301 /nfs/dbraw/zinc/96/03/01/1035960301.db2.gz XLESMVWGJTWXSU-UHFFFAOYSA-N -1 0 333.334 3.658 20 0 EHADRM CCc1noc(C)c1[N-]S(=O)(=O)/C=C/c1ccccc1Cl ZINC000164876139 1035988299 /nfs/dbraw/zinc/98/82/99/1035988299.db2.gz PLPFJLOIUYMLSP-CMDGGOBGSA-N -1 0 326.805 3.611 20 0 EHADRM O=C([O-])[C@@]1(c2ccccc2)CCN(C(=O)c2ccc3c(c2)CCC=C3)C1 ZINC000514675864 1035998347 /nfs/dbraw/zinc/99/83/47/1035998347.db2.gz YRBGGKGKSOUOBY-QFIPXVFZSA-N -1 0 347.414 3.515 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C2CCC(c3ccccc3)CC2)C1 ZINC000263110652 1036074063 /nfs/dbraw/zinc/07/40/63/1036074063.db2.gz BSFGEOHQMURSNG-AGERRDQYSA-N -1 0 329.440 3.530 20 0 EHADRM CCCOCCOc1cccc(-c2ccccc2OCC(=O)[O-])c1 ZINC000572379538 1036092675 /nfs/dbraw/zinc/09/26/75/1036092675.db2.gz JMYFADYTZFTOQQ-UHFFFAOYSA-N -1 0 330.380 3.622 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)C1CCCCC1 ZINC000170747460 1036194879 /nfs/dbraw/zinc/19/48/79/1036194879.db2.gz JIRZGYGLWDAGLU-LBPRGKRZSA-N -1 0 329.400 3.575 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2c(C)cccc2OC(F)F)ccc1F ZINC000175015135 1036203486 /nfs/dbraw/zinc/20/34/86/1036203486.db2.gz KVQXHQPQIGQIRT-UHFFFAOYSA-N -1 0 345.342 3.845 20 0 EHADRM CCCc1cc(C(=O)N=c2ccc(C(F)(F)F)n[n-]2)ccc1Cl ZINC000472564982 1036241159 /nfs/dbraw/zinc/24/11/59/1036241159.db2.gz RFPNRNPNEAFFNT-UHFFFAOYSA-N -1 0 343.736 3.776 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2cccc(SC(F)F)c2)C1 ZINC000263131485 1036301499 /nfs/dbraw/zinc/30/14/99/1036301499.db2.gz NCDRUFKQPUVOAY-ZJUUUORDSA-N -1 0 344.383 3.576 20 0 EHADRM Cc1ccc2nc([N-]S(=O)(=O)c3cccc(F)c3F)sc2c1 ZINC000589263227 1036326409 /nfs/dbraw/zinc/32/64/09/1036326409.db2.gz ICTZSRIQPXHHFB-UHFFFAOYSA-N -1 0 340.376 3.684 20 0 EHADRM C[C@@H](CC(=O)[O-])N(C)C(=O)CCCSc1ccc(Cl)cc1 ZINC000572736913 1036476546 /nfs/dbraw/zinc/47/65/46/1036476546.db2.gz IZKXGKBJOAEWEQ-NSHDSACASA-N -1 0 329.849 3.534 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(C)c(F)c2)[nH]nc1-c1ccccc1 ZINC000535513657 1036577376 /nfs/dbraw/zinc/57/73/76/1036577376.db2.gz KVKPRGYWIXQKBZ-UHFFFAOYSA-N -1 0 345.399 3.633 20 0 EHADRM O=S(=O)([N-]c1ccc2ccoc2c1)c1ccc(C(F)(F)F)cn1 ZINC000442839551 1036619796 /nfs/dbraw/zinc/61/97/96/1036619796.db2.gz TXTIQEGUYVWMJD-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM O=C(Nc1nc(-c2ccncc2)cs1)c1cc(Cl)ccc1[O-] ZINC000006969550 1036635636 /nfs/dbraw/zinc/63/56/36/1036635636.db2.gz YLPBNJCYPQTWDV-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM COc1ccc(CCC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cc1F ZINC000263210726 1036636167 /nfs/dbraw/zinc/63/61/67/1036636167.db2.gz LJKQSEFPIWPBAT-LBPRGKRZSA-N -1 0 345.370 3.594 20 0 EHADRM CCC[C@H](CNC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000263216657 1036637545 /nfs/dbraw/zinc/63/75/45/1036637545.db2.gz PSINUTKWRNRGHR-WCQYABFASA-N -1 0 345.361 3.816 20 0 EHADRM CCCCN(CC)C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000541800898 1036668804 /nfs/dbraw/zinc/66/88/04/1036668804.db2.gz XBQQAQDYEQYGBH-UHFFFAOYSA-N -1 0 338.864 3.934 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCCc1ccc2ccccc2c1 ZINC000263293983 1036758938 /nfs/dbraw/zinc/75/89/38/1036758938.db2.gz ZEIZVZHALKVWHX-DNVCBOLYSA-N -1 0 339.435 3.874 20 0 EHADRM Cc1ccc(CN(C(=O)c2ccc(C(=O)[O-])c(C)n2)C(C)C)s1 ZINC000263329977 1036782807 /nfs/dbraw/zinc/78/28/07/1036782807.db2.gz LUIVZWVELIEINB-UHFFFAOYSA-N -1 0 332.425 3.509 20 0 EHADRM O=C([O-])C1(CNC(=O)CC2CC(c3ccccc3)C2)CCCCC1 ZINC000263372423 1036831531 /nfs/dbraw/zinc/83/15/31/1036831531.db2.gz YVYQTLDQYRUICM-UHFFFAOYSA-N -1 0 329.440 3.722 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)ccc1O)c1ccc2c(c1)CCCC2 ZINC000590384979 1036847686 /nfs/dbraw/zinc/84/76/86/1036847686.db2.gz JGFHYCKYONZWAP-UHFFFAOYSA-N -1 0 337.828 3.725 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc(Cl)cc(Br)c2[O-])[C@H]1C ZINC000176318770 1036857943 /nfs/dbraw/zinc/85/79/43/1036857943.db2.gz IQCRZKSSYZNOAL-SFYZADRCSA-N -1 0 332.625 3.679 20 0 EHADRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cccc3[nH]cnc32)c(C)c1C ZINC000462373988 1036909518 /nfs/dbraw/zinc/90/95/18/1036909518.db2.gz SKEBEZAWEJOPDX-UHFFFAOYSA-N -1 0 343.452 3.906 20 0 EHADRM CC[C@@](CNC(=O)c1cccc(C2CC2)c1)(C(=O)[O-])c1ccccc1 ZINC000572985741 1036918270 /nfs/dbraw/zinc/91/82/70/1036918270.db2.gz NXVYTMQIEQZJFL-NRFANRHFSA-N -1 0 337.419 3.726 20 0 EHADRM O=C([O-])c1ccc(CNc2cc(F)ccc2OC[C@H]2CCCO2)cc1 ZINC000263490466 1036989961 /nfs/dbraw/zinc/98/99/61/1036989961.db2.gz QYPZLZPJSMMOMF-MRXNPFEDSA-N -1 0 345.370 3.694 20 0 EHADRM O=C(N=c1nc(-c2ccccc2)[n-]s1)c1cc(F)cc(Cl)c1 ZINC000464923763 1036991458 /nfs/dbraw/zinc/99/14/58/1036991458.db2.gz ZTBUBOKGUAPZRG-UHFFFAOYSA-N -1 0 333.775 3.672 20 0 EHADRM CCc1cccc(S(=O)(=O)Nc2ccc(OC)c(OC(C)C)c2)c1 ZINC000546885863 1037011515 /nfs/dbraw/zinc/01/15/15/1037011515.db2.gz OQMOWMLJWXIRGH-UHFFFAOYSA-N -1 0 349.452 3.846 20 0 EHADRM CCCOc1ccc(NC(=O)NC(C)(C)CCC(=O)[O-])cc1Cl ZINC000263508092 1037020855 /nfs/dbraw/zinc/02/08/55/1037020855.db2.gz WLRHGUATIRJIMS-UHFFFAOYSA-N -1 0 342.823 3.894 20 0 EHADRM C[C@@H]1C[C@H](CCN=c2[n-]nc(-c3ccccc3Cl)s2)CCO1 ZINC000546887851 1037085544 /nfs/dbraw/zinc/08/55/44/1037085544.db2.gz YPKHHQRXRMLEFJ-VXGBXAGGSA-N -1 0 337.876 3.898 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)cc1 ZINC000263542565 1037102814 /nfs/dbraw/zinc/10/28/14/1037102814.db2.gz RPZOBRSTHBRISL-QRVBRYPASA-N -1 0 335.403 3.793 20 0 EHADRM O=S(=O)([N-]c1n[nH]c2ccccc21)c1cccc(Cl)c1Cl ZINC000054433185 1037131529 /nfs/dbraw/zinc/13/15/29/1037131529.db2.gz FRYDGTQXCGBDSH-UHFFFAOYSA-N -1 0 342.207 3.671 20 0 EHADRM CCCOc1c(CN=c2[n-]nc(C3CC3)s2)cccc1OCC ZINC000573034280 1037163092 /nfs/dbraw/zinc/16/30/92/1037163092.db2.gz OSKYFOWNLWONNS-UHFFFAOYSA-N -1 0 333.457 3.637 20 0 EHADRM C/C=C\c1ccc([N-]S(=O)(=O)c2c(C(F)F)c(C)nn2C)cc1 ZINC000414382025 1037181192 /nfs/dbraw/zinc/18/11/92/1037181192.db2.gz JSECEIGIJLEJQB-PLNGDYQASA-N -1 0 341.383 3.500 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000089285136 1037184484 /nfs/dbraw/zinc/18/44/84/1037184484.db2.gz AXQAPEQIUCLAME-MRXNPFEDSA-N -1 0 347.461 3.992 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)s2)nn1[C@@H](C)C1CC1 ZINC000542234267 1037187665 /nfs/dbraw/zinc/18/76/65/1037187665.db2.gz URJGRUDWBIWYLZ-VIFPVBQESA-N -1 0 345.877 3.678 20 0 EHADRM CCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(C)cc3F)c2C1 ZINC000105388142 1037199602 /nfs/dbraw/zinc/19/96/02/1037199602.db2.gz PLEMHVTXOSBQSF-UHFFFAOYSA-N -1 0 348.443 3.661 20 0 EHADRM C[C@@H](N(Cc1ccccc1)C(=O)NCCCCC(=O)[O-])C(C)(C)C ZINC000666562900 1037211411 /nfs/dbraw/zinc/21/14/11/1037211411.db2.gz XCZPLUIAJWXMHY-OAHLLOKOSA-N -1 0 334.460 3.888 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2cnoc2C2CC2)cc1Cl ZINC000414387827 1037243617 /nfs/dbraw/zinc/24/36/17/1037243617.db2.gz JVADZKXKSWLPRI-UHFFFAOYSA-N -1 0 344.845 3.728 20 0 EHADRM CCC[C@@H](C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000659118772 1037293350 /nfs/dbraw/zinc/29/33/50/1037293350.db2.gz AJQODRHLIPQKCD-HZPDHXFCSA-N -1 0 349.858 3.937 20 0 EHADRM CCc1cnc(CN(C)C(=O)c2cccc(C(F)(F)F)c2[O-])s1 ZINC000573106161 1037306690 /nfs/dbraw/zinc/30/66/90/1037306690.db2.gz QZXNJWQPMNPRSQ-UHFFFAOYSA-N -1 0 344.358 3.702 20 0 EHADRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1C ZINC000414394696 1037313837 /nfs/dbraw/zinc/31/38/37/1037313837.db2.gz GHQGDRRBFFCQES-UHFFFAOYSA-N -1 0 341.379 3.699 20 0 EHADRM COc1ccc2cc(CNC(=O)c3cc(F)c([O-])c(F)c3)ccc2c1 ZINC000176999753 1037316952 /nfs/dbraw/zinc/31/69/52/1037316952.db2.gz DRXYHUBXBABJJK-UHFFFAOYSA-N -1 0 343.329 3.762 20 0 EHADRM CC1(C)CC[C@@H]1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000659129216 1037330771 /nfs/dbraw/zinc/33/07/71/1037330771.db2.gz IFJUZBDWKVVSOU-CQSZACIVSA-N -1 0 327.380 3.678 20 0 EHADRM O=C(Nc1ccc(OCC(F)(F)F)cc1)c1cc(F)c([O-])c(F)c1 ZINC000177028733 1037331484 /nfs/dbraw/zinc/33/14/84/1037331484.db2.gz MRNVQZOXLPECPQ-UHFFFAOYSA-N -1 0 347.239 3.864 20 0 EHADRM Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000177063269 1037346933 /nfs/dbraw/zinc/34/69/33/1037346933.db2.gz QCUKWVUEULSXTC-UHFFFAOYSA-N -1 0 348.349 3.826 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000659139630 1037356730 /nfs/dbraw/zinc/35/67/30/1037356730.db2.gz FSFHAQSGOZLUFU-WBMJQRKESA-N -1 0 345.420 3.605 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC000659142234 1037364267 /nfs/dbraw/zinc/36/42/67/1037364267.db2.gz KOTJQUDWKTYKIT-QGZVFWFLSA-N -1 0 329.440 3.850 20 0 EHADRM COCCCN(C)C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000177118706 1037376657 /nfs/dbraw/zinc/37/66/57/1037376657.db2.gz AIVRCCUMZRTPLL-UHFFFAOYSA-N -1 0 333.815 3.821 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc3cc(Cl)ccc3s2)C1 ZINC000659159912 1037382922 /nfs/dbraw/zinc/38/29/22/1037382922.db2.gz CXCKFCRYZVBCBV-MRXNPFEDSA-N -1 0 337.828 3.882 20 0 EHADRM O=C([O-])c1ccc([C@H](NC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)C(F)(F)F)cc1 ZINC000659156260 1037393136 /nfs/dbraw/zinc/39/31/36/1037393136.db2.gz INGJDNKJXWBSPE-MQYQWHSLSA-N -1 0 341.329 3.541 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCCC[C@H]1Cc1ccccc1F ZINC000659162148 1037406659 /nfs/dbraw/zinc/40/66/59/1037406659.db2.gz ADELEIIYGHMXEJ-AWEZNQCLSA-N -1 0 345.370 3.663 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2cc(SC)ccc2C)n1 ZINC000659184603 1037438441 /nfs/dbraw/zinc/43/84/41/1037438441.db2.gz GRDLRJYOEXQXIV-CQSZACIVSA-N -1 0 347.440 3.592 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N[C@H](c2ccccc2)C2CCC2)s1 ZINC000591479633 1037445008 /nfs/dbraw/zinc/44/50/08/1037445008.db2.gz IVVHGOWRGBZWAI-MRXNPFEDSA-N -1 0 344.484 3.821 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cccc3ccccc32)[C@@H]2CCCC[C@@H]12 ZINC000659192014 1037446541 /nfs/dbraw/zinc/44/65/41/1037446541.db2.gz FHHDLAJXSUXJTN-QXAKKESOSA-N -1 0 337.419 3.945 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)[C@@H](CCC)c2ccccc2)n1 ZINC000659186678 1037449306 /nfs/dbraw/zinc/44/93/06/1037449306.db2.gz ZUJHYKZHQKBBIW-JKSUJKDBSA-N -1 0 343.427 3.831 20 0 EHADRM Cc1cccc2cc(C(=O)N3CC[C@H](C(=O)[O-])[C@@H]4CCCC[C@@H]43)oc21 ZINC000659195320 1037454535 /nfs/dbraw/zinc/45/45/35/1037454535.db2.gz OXPPVXHEWGRYIE-JYJNAYRXSA-N -1 0 341.407 3.847 20 0 EHADRM Cc1ccc(CCCC(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)cc1 ZINC000659196226 1037456885 /nfs/dbraw/zinc/45/68/85/1037456885.db2.gz UDIBJZWLVBMUCH-GBESFXJTSA-N -1 0 343.467 3.810 20 0 EHADRM Cc1ccccc1SCC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000659193159 1037461581 /nfs/dbraw/zinc/46/15/81/1037461581.db2.gz INKFRVJYORLBIH-OWCLPIDISA-N -1 0 347.480 3.579 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cnn(C)c2-c2ccccc2)c1 ZINC000074563274 1037478342 /nfs/dbraw/zinc/47/83/42/1037478342.db2.gz LAVJFFKYGRVLOW-UHFFFAOYSA-N -1 0 341.436 3.505 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000659236256 1037550219 /nfs/dbraw/zinc/55/02/19/1037550219.db2.gz RPNCIFZISAMITA-QAPCUYQASA-N -1 0 347.798 3.973 20 0 EHADRM C[C@H](C(=O)N[C@H]1CCC[C@@]1(C)C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000659239833 1037560610 /nfs/dbraw/zinc/56/06/10/1037560610.db2.gz WKDLJIFTOLFRSM-UOWOHEGISA-N -1 0 344.238 3.857 20 0 EHADRM O=C(/C=C\c1nc2ccccc2o1)Nc1cc(Cl)c([O-])cc1F ZINC000493775045 1037627388 /nfs/dbraw/zinc/62/73/88/1037627388.db2.gz GLWIDNXAYKKOPK-WAYWQWQTSA-N -1 0 332.718 3.978 20 0 EHADRM C[C@H](CN=c1[n-]nc(-c2ccccc2)s1)Oc1ccccc1F ZINC000463074858 1037740797 /nfs/dbraw/zinc/74/07/97/1037740797.db2.gz KEPAVODNMBGNAE-GFCCVEGCSA-N -1 0 329.400 3.646 20 0 EHADRM C[C@H](CN=c1[n-]nc(-c2ccccc2)s1)Oc1cccc(F)c1 ZINC000463077346 1037743804 /nfs/dbraw/zinc/74/38/04/1037743804.db2.gz IFLZMSBZIHAHGJ-GFCCVEGCSA-N -1 0 329.400 3.646 20 0 EHADRM CC(C)(C)CCCS(=O)(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000573905781 1037799946 /nfs/dbraw/zinc/79/99/46/1037799946.db2.gz WKBQDULHFZCGLE-UHFFFAOYSA-N -1 0 341.473 3.617 20 0 EHADRM O=c1nc(CCc2ccccc2Br)[n-]c2ccsc21 ZINC000172997087 1037833380 /nfs/dbraw/zinc/83/33/80/1037833380.db2.gz OYMBJJRRYXNXGH-UHFFFAOYSA-N -1 0 335.226 3.532 20 0 EHADRM O=C([O-])C1(CNC(=O)C2(c3cccc(Cl)c3)CCCCC2)CCC1 ZINC000532612561 1037918380 /nfs/dbraw/zinc/91/83/80/1037918380.db2.gz JQXJUQSHPYSILB-UHFFFAOYSA-N -1 0 349.858 3.913 20 0 EHADRM COc1ccc(-c2n[n-]c(=NCc3cc4ccccc4s3)o2)cc1 ZINC000463248493 1037935680 /nfs/dbraw/zinc/93/56/80/1037935680.db2.gz UVJAVUPCTOGRFP-UHFFFAOYSA-N -1 0 337.404 3.994 20 0 EHADRM O=C(C=CSCc1ccco1)N=c1nc(-c2ccsc2)[n-]s1 ZINC000492111477 1037992323 /nfs/dbraw/zinc/99/23/23/1037992323.db2.gz MBEZCIIWLQYJSJ-DAXSKMNVSA-N -1 0 349.462 3.667 20 0 EHADRM CC(C)(c1n[n-]c(=NC(=O)NCC2CCCC2)s1)c1ccccc1 ZINC000592496536 1038009503 /nfs/dbraw/zinc/00/95/03/1038009503.db2.gz LUULTFGDPJRRHI-UHFFFAOYSA-N -1 0 344.484 3.598 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1C ZINC000540497928 1038019102 /nfs/dbraw/zinc/01/91/02/1038019102.db2.gz IVQLLAKVDDCZCX-CYBMUJFWSA-N -1 0 347.484 3.842 20 0 EHADRM COc1ccc(/C=C/C(=O)Nc2ccccc2CC(=O)[O-])cc1Cl ZINC000492198309 1038089419 /nfs/dbraw/zinc/08/94/19/1038089419.db2.gz LOPXKTDOPCBTGT-VQHVLOKHSA-N -1 0 345.782 3.628 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)C1CCCCC1 ZINC000538506222 1038346328 /nfs/dbraw/zinc/34/63/28/1038346328.db2.gz KNCIOUDGZLBLSX-IKGGRYGDSA-N -1 0 349.858 3.983 20 0 EHADRM Cc1nn(C)c2cc(NS(=O)(=O)c3cccc(C(C)C)c3)ccc12 ZINC000461337039 1038351411 /nfs/dbraw/zinc/35/14/11/1038351411.db2.gz YTSSUEMQOSYFSB-UHFFFAOYSA-N -1 0 343.452 3.806 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)C1CCCCC1 ZINC000538515173 1038354890 /nfs/dbraw/zinc/35/48/90/1038354890.db2.gz KHWOXLOFCCMYMD-IHRRRGAJSA-N -1 0 349.393 3.895 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)c1 ZINC000538577935 1038399435 /nfs/dbraw/zinc/39/94/35/1038399435.db2.gz ZVVPWVZSDBJNAA-RTBURBONSA-N -1 0 337.419 3.770 20 0 EHADRM O=C([O-])CC1(CNC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)CCCCC1 ZINC000538576897 1038400320 /nfs/dbraw/zinc/40/03/20/1038400320.db2.gz FEPHCNZNZPOHPR-HOTGVXAUSA-N -1 0 349.858 3.985 20 0 EHADRM c1cc(CN=c2[n-]nc(CC3CCCC3)o2)cc(-c2ccncc2)c1 ZINC000538593813 1038406751 /nfs/dbraw/zinc/40/67/51/1038406751.db2.gz DTOHJTPRCIKNHC-UHFFFAOYSA-N -1 0 334.423 3.898 20 0 EHADRM Cc1cc(C)c(CN=c2[n-]nc(CCOc3ccccc3)o2)cc1C ZINC000538592131 1038421489 /nfs/dbraw/zinc/42/14/89/1038421489.db2.gz OBYKSGYOTRUFKJ-UHFFFAOYSA-N -1 0 337.423 3.650 20 0 EHADRM Fc1ccc(Cc2n[n-]c(=NCc3cc(F)cc(F)c3)s2)cc1 ZINC000538592570 1038423096 /nfs/dbraw/zinc/42/30/96/1038423096.db2.gz JXKPBFJQKQUWIV-UHFFFAOYSA-N -1 0 335.354 3.580 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)c1csc(-c2ccoc2)n1 ZINC000238111764 1038433555 /nfs/dbraw/zinc/43/35/55/1038433555.db2.gz ODGAUMNICRWNPE-UHFFFAOYSA-N -1 0 336.413 3.558 20 0 EHADRM Cc1ccc(F)cc1CN=c1[n-]nc(Cc2ccc(Cl)cc2)o1 ZINC000538657763 1038458995 /nfs/dbraw/zinc/45/89/95/1038458995.db2.gz LYLFROFQYBGNCW-UHFFFAOYSA-N -1 0 331.778 3.795 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC(Cc2ccccc2F)CC1 ZINC000659148845 1038637912 /nfs/dbraw/zinc/63/79/12/1038637912.db2.gz NBOXOAIOVAWRQX-UHFFFAOYSA-N -1 0 345.370 3.520 20 0 EHADRM FCCCCN=c1[n-]nc(-c2cc(Br)ccc2F)s1 ZINC000461866820 1038641956 /nfs/dbraw/zinc/64/19/56/1038641956.db2.gz STXGMUYIJJDNDW-UHFFFAOYSA-N -1 0 348.216 3.690 20 0 EHADRM Cc1cc(=O)[nH]c(-c2ccc(NC(=O)[C@@H]3CCCC4(CC4)C3)cc2)n1 ZINC000667199056 1038666224 /nfs/dbraw/zinc/66/62/24/1038666224.db2.gz BCWMYZJQBNMOSQ-OAHLLOKOSA-N -1 0 337.423 3.654 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2n[nH]c(C)c2-c2ccccc2)sc1C ZINC000539113067 1038690654 /nfs/dbraw/zinc/69/06/54/1038690654.db2.gz WPCBQJLKCRYWQH-UHFFFAOYSA-N -1 0 347.465 3.864 20 0 EHADRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc2cccc(C)c2o1 ZINC000146970953 1038697431 /nfs/dbraw/zinc/69/74/31/1038697431.db2.gz LLDODVIEGLTLIM-HNNXBMFYSA-N -1 0 326.396 3.760 20 0 EHADRM C[C@]1(NC(=O)c2ccc(-c3ccc(F)cc3)o2)CCCC[C@H]1C(=O)[O-] ZINC000431886304 1038758168 /nfs/dbraw/zinc/75/81/68/1038758168.db2.gz DBQOUBWCFRKVHD-LIRRHRJNSA-N -1 0 345.370 3.849 20 0 EHADRM Cc1cc2occ(CC(=O)N[C@]3(C)CCCC[C@@H]3C(=O)[O-])c2cc1C ZINC000431888195 1038773582 /nfs/dbraw/zinc/77/35/82/1038773582.db2.gz UZXHAMFOGAKXCJ-OXQOHEQNSA-N -1 0 343.423 3.742 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CC[C@@H]2CCc3ccccc32)[C@H]2CCC[C@@H]21 ZINC000910249432 1038787616 /nfs/dbraw/zinc/78/76/16/1038787616.db2.gz WGPGUTSDUBQDGJ-AITUJVMLSA-N -1 0 341.451 3.598 20 0 EHADRM CCC[C@@H](NC(=O)c1cc(=O)n(C)[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000667566955 1038824746 /nfs/dbraw/zinc/82/47/46/1038824746.db2.gz MDNPTVOLKSMAEO-GFCCVEGCSA-N -1 0 342.226 3.704 20 0 EHADRM Cc1nc(N2CCCC[C@H]2c2nc3ccccc3[nH]2)ccc1C(=O)[O-] ZINC000910374217 1038870006 /nfs/dbraw/zinc/87/00/06/1038870006.db2.gz LCJYIVNGVXPHIX-INIZCTEOSA-N -1 0 336.395 3.696 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N[C@H](C)Cc2cccs2)s1 ZINC000479915424 1038895227 /nfs/dbraw/zinc/89/52/27/1038895227.db2.gz GBSLMSFEFRUIDF-SNVBAGLBSA-N -1 0 338.502 3.678 20 0 EHADRM CCCc1sc(C(=O)Nc2nc(CC(=O)[O-])cs2)cc1CC ZINC000236955065 1038910641 /nfs/dbraw/zinc/91/06/41/1038910641.db2.gz OFWTXQFFKQIZCQ-UHFFFAOYSA-N -1 0 338.454 3.599 20 0 EHADRM Cc1cccc2c(CCC(=O)N[C@H](CC(=O)[O-])C3CCCC3)c[nH]c21 ZINC000910567362 1038966892 /nfs/dbraw/zinc/96/68/92/1038966892.db2.gz KSHFUXZFLYAZAZ-QGZVFWFLSA-N -1 0 342.439 3.559 20 0 EHADRM Cc1cccc(N=c2[n-]nc(SC[C@@H]3CCC[C@H](O)C3)s2)c1 ZINC000488225236 1038985646 /nfs/dbraw/zinc/98/56/46/1038985646.db2.gz BUMLBEZCISVAKO-OCCSQVGLSA-N -1 0 335.498 3.655 20 0 EHADRM Cc1cccc(N=c2[n-]nc(SC[C@H]3CCC[C@H](O)C3)s2)c1 ZINC000488225234 1038986525 /nfs/dbraw/zinc/98/65/25/1038986525.db2.gz BUMLBEZCISVAKO-JSGCOSHPSA-N -1 0 335.498 3.655 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)c2cc3ccc(F)cc3s2)s1 ZINC000615152688 1038994633 /nfs/dbraw/zinc/99/46/33/1038994633.db2.gz PXCUIPGJTGACFD-UHFFFAOYSA-N -1 0 335.429 3.864 20 0 EHADRM CCc1c(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cnn1C(CC)CC ZINC000910657405 1039004283 /nfs/dbraw/zinc/00/42/83/1039004283.db2.gz YBDKTGFQNUXQKV-CHWSQXEVSA-N -1 0 335.448 3.636 20 0 EHADRM Cc1ccc(-n2ncc(NC(=O)[C@@H](C(=O)[O-])C(C)C)c2C(C)C)cc1 ZINC000910658417 1039007416 /nfs/dbraw/zinc/00/74/16/1039007416.db2.gz JUBYUSYMIUKAEU-INIZCTEOSA-N -1 0 343.427 3.599 20 0 EHADRM Cc1cc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)nn1C1CCCCC1 ZINC000910659841 1039008640 /nfs/dbraw/zinc/00/86/40/1039008640.db2.gz CUOYVSAFHMXQDP-UHFFFAOYSA-N -1 0 345.443 3.670 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)Nc1cc(C2CC2)ccn1)C(=O)[O-] ZINC000910666516 1039009695 /nfs/dbraw/zinc/00/96/95/1039009695.db2.gz VLVPMEKSCBYRQB-NSHDSACASA-N -1 0 342.420 3.777 20 0 EHADRM O=C([O-])c1cncc(C(=O)Nc2nc(C3CCCCC3)cs2)c1 ZINC000910684510 1039020122 /nfs/dbraw/zinc/02/01/22/1039020122.db2.gz LIMQBBGRZSZZDC-UHFFFAOYSA-N -1 0 331.397 3.536 20 0 EHADRM Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000485393887 1039025189 /nfs/dbraw/zinc/02/51/89/1039025189.db2.gz QXSMEKILCKEOIW-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM CCn1cc(Cl)cc1C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC000910702772 1039027425 /nfs/dbraw/zinc/02/74/25/1039027425.db2.gz JOOQHFIFEUOORA-UHFFFAOYSA-N -1 0 341.820 3.692 20 0 EHADRM CCC[C@@H]1CCCCN1C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000552162424 1039027895 /nfs/dbraw/zinc/02/78/95/1039027895.db2.gz TUEQVYVRPLRPDC-CQSZACIVSA-N -1 0 331.391 3.512 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)/C=C/c2cccs2)nc1C(=O)[O-] ZINC000910721742 1039029803 /nfs/dbraw/zinc/02/98/03/1039029803.db2.gz PMIBFJHJDAFCJO-SYTKJHMZSA-N -1 0 348.449 3.588 20 0 EHADRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1nc2c(s1)CCCCC2 ZINC000195575403 1039049373 /nfs/dbraw/zinc/04/93/73/1039049373.db2.gz BTVWSJJOBOEIOM-UHFFFAOYSA-N -1 0 340.445 3.660 20 0 EHADRM Cc1cc(C)cc(CC(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)c1 ZINC000910741030 1039050189 /nfs/dbraw/zinc/05/01/89/1039050189.db2.gz CVLCNVMXPIUQSG-UHFFFAOYSA-N -1 0 330.409 3.517 20 0 EHADRM COCCOc1ccc(NC(=O)c2cccc(C)c2O)cc1Cl ZINC000195578632 1039052021 /nfs/dbraw/zinc/05/20/21/1039052021.db2.gz RMUPZLIKCBIJJF-UHFFFAOYSA-N -1 0 335.787 3.632 20 0 EHADRM CCOC(=O)c1coc(/C=C\c2nc3ccc(C(=O)[O-])cc3s2)c1 ZINC000480031134 1039059691 /nfs/dbraw/zinc/05/96/91/1039059691.db2.gz UJSKGUXLSNLCNM-XQRVVYSFSA-N -1 0 343.360 3.935 20 0 EHADRM CC(C)CN(C(=O)c1cc(Br)c(F)cc1[O-])C(C)C ZINC000448846982 1039085249 /nfs/dbraw/zinc/08/52/49/1039085249.db2.gz SPFAKBJOVGVARG-UHFFFAOYSA-N -1 0 332.213 3.800 20 0 EHADRM O=C([O-])CC1CC(NC(=O)c2sc3cc(F)ccc3c2Cl)C1 ZINC000910812503 1039088779 /nfs/dbraw/zinc/08/87/79/1039088779.db2.gz JPMSWKVGVFSLJS-UHFFFAOYSA-N -1 0 341.791 3.677 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C3CC3)nc(C)n2)cc1 ZINC000485443235 1039089397 /nfs/dbraw/zinc/08/93/97/1039089397.db2.gz CRNPSHFBLRYVKT-LBPRGKRZSA-N -1 0 345.468 3.977 20 0 EHADRM CC(C)(CCC(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2F)nc1 ZINC000910802771 1039102414 /nfs/dbraw/zinc/10/24/14/1039102414.db2.gz OYIWSPUWRWHLEP-UHFFFAOYSA-N -1 0 346.358 3.843 20 0 EHADRM C[C@]12CSC[C@H]1C[N@H+](Cc1ccc(C(=O)[O-])cc1C(F)(F)F)C2 ZINC000905811013 1039115588 /nfs/dbraw/zinc/11/55/88/1039115588.db2.gz SBPIBUGLVQKOPH-DOMZBBRYSA-N -1 0 345.386 3.589 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)s2)C[C@H]1CC(=O)[O-] ZINC000910865879 1039126780 /nfs/dbraw/zinc/12/67/80/1039126780.db2.gz BMYXTJVPWSRODT-DGCLKSJQSA-N -1 0 347.411 3.737 20 0 EHADRM CSc1ccc(NC(=O)c2csc(C(C)C)n2)cc1C(=O)[O-] ZINC000910950223 1039152751 /nfs/dbraw/zinc/15/27/51/1039152751.db2.gz SMBWTFOOFHRNGX-UHFFFAOYSA-N -1 0 336.438 3.939 20 0 EHADRM CC[C@@H](C)C(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC000910954898 1039155705 /nfs/dbraw/zinc/15/57/05/1039155705.db2.gz AFIBNBFQWQNJPB-GFCCVEGCSA-N -1 0 328.412 3.618 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)C[C@@H]1CCO[C@H](C(C)C)C1 ZINC000910959611 1039160638 /nfs/dbraw/zinc/16/06/38/1039160638.db2.gz SOTKFTUYNNIGPY-DYVFJYSZSA-N -1 0 333.428 3.727 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)CCc1ccccc1OC ZINC000910963293 1039162604 /nfs/dbraw/zinc/16/26/04/1039162604.db2.gz WBBJUMWZVXWIPW-UHFFFAOYSA-N -1 0 327.380 3.527 20 0 EHADRM CSc1ccc(NC(=O)c2cn(C(C)(C)C)nc2C)cc1C(=O)[O-] ZINC000910946960 1039166768 /nfs/dbraw/zinc/16/67/68/1039166768.db2.gz XCBXXMGIXAQVAW-UHFFFAOYSA-N -1 0 347.440 3.619 20 0 EHADRM CCCCCN(Cc1ccc(Cl)cc1)C(=O)CSCC(=O)[O-] ZINC000567233917 1039173410 /nfs/dbraw/zinc/17/34/10/1039173410.db2.gz GNHXHMBINVIFRG-UHFFFAOYSA-N -1 0 343.876 3.677 20 0 EHADRM O=C([O-])C1CCC(CC(=O)NCC2(c3cccc(F)c3)CCC2)CC1 ZINC000910993471 1039184455 /nfs/dbraw/zinc/18/44/55/1039184455.db2.gz PBZJDXIXAHISPU-UHFFFAOYSA-N -1 0 347.430 3.645 20 0 EHADRM CCCOc1cccc(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)c1 ZINC000431907171 1039185834 /nfs/dbraw/zinc/18/58/34/1039185834.db2.gz MUPJESZCENAEQL-UHFFFAOYSA-N -1 0 349.390 3.682 20 0 EHADRM CC(C)c1ccsc1C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)CC1 ZINC000911017799 1039186572 /nfs/dbraw/zinc/18/65/72/1039186572.db2.gz FSDGDGIDNASHBA-UHFFFAOYSA-N -1 0 349.374 3.741 20 0 EHADRM CC(C)c1ccccc1C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)CC1 ZINC000911021478 1039189284 /nfs/dbraw/zinc/18/92/84/1039189284.db2.gz RDKOPJDEFZGVIL-UHFFFAOYSA-N -1 0 343.345 3.679 20 0 EHADRM Cc1ccc(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)CC2)cc1Cl ZINC000911014868 1039201063 /nfs/dbraw/zinc/20/10/63/1039201063.db2.gz KSQVPNKPBDMDFX-UHFFFAOYSA-N -1 0 349.736 3.518 20 0 EHADRM CCNc1ccc(C(=O)[O-])cc1NC(=O)CCCc1cccs1 ZINC000911083272 1039218083 /nfs/dbraw/zinc/21/80/83/1039218083.db2.gz QBXYFZLHMAVQSR-UHFFFAOYSA-N -1 0 332.425 3.840 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CCC[C@@]1(C)Cc1cccs1 ZINC000911061550 1039219977 /nfs/dbraw/zinc/21/99/77/1039219977.db2.gz JHADXUIYPIOMCB-KRWDZBQOSA-N -1 0 333.409 3.585 20 0 EHADRM CC(C)(C(=O)[N-]Oc1ccc(F)cc1)c1cccc(C(F)(F)F)n1 ZINC000898576705 1039271857 /nfs/dbraw/zinc/27/18/57/1039271857.db2.gz RMUIYOABDRZTOX-UHFFFAOYSA-N -1 0 342.292 3.627 20 0 EHADRM Cc1cc(NC(=O)CC2CCC(C(=O)[O-])CC2)ccc1N1CCCC1 ZINC000911214000 1039288027 /nfs/dbraw/zinc/28/80/27/1039288027.db2.gz NZKUHRJUOHAFOR-UHFFFAOYSA-N -1 0 344.455 3.815 20 0 EHADRM CCc1c([N-]S(=O)(=O)c2cccs2)cnn1C(CC)CC ZINC000480201110 1039300192 /nfs/dbraw/zinc/30/01/92/1039300192.db2.gz ONMRVUXCCZQXEK-UHFFFAOYSA-N -1 0 327.475 3.669 20 0 EHADRM CC[C@@](C)(NC(=O)/C=C/c1ccc(C(=O)[O-])cc1)c1nc(C)cs1 ZINC000237061489 1039300276 /nfs/dbraw/zinc/30/02/76/1039300276.db2.gz XWUYFUAEPVHRLK-RUJXFNLJSA-N -1 0 344.436 3.605 20 0 EHADRM CC1(C)CC[C@H]1NC(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000480206431 1039307296 /nfs/dbraw/zinc/30/72/96/1039307296.db2.gz NCDNDYAKRCAWFH-LLVKDONJSA-N -1 0 336.848 3.591 20 0 EHADRM Cc1c(Cl)cc(NC(=O)CC2(C(=O)[O-])CCOCC2)cc1Cl ZINC000911271950 1039307715 /nfs/dbraw/zinc/30/77/15/1039307715.db2.gz URRYLQMGMIAVBJ-UHFFFAOYSA-N -1 0 346.210 3.512 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)N2C[C@H](C)[C@@H](C)[C@@H]2C)s[n-]1 ZINC000417001786 1039311094 /nfs/dbraw/zinc/31/10/94/1039311094.db2.gz UBLHUPPQVJSXAG-AXFHLTTASA-N -1 0 336.486 3.505 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cccc3ccsc32)c(F)c1 ZINC000480244609 1039330408 /nfs/dbraw/zinc/33/04/08/1039330408.db2.gz XVYZFSANLWFGHS-UHFFFAOYSA-N -1 0 337.397 3.850 20 0 EHADRM CSc1ccccc1NC(=O)CC1(C(=O)[O-])Cc2ccccc2C1 ZINC000237284846 1039332752 /nfs/dbraw/zinc/33/27/52/1039332752.db2.gz BGJOPLMJDOGSSX-UHFFFAOYSA-N -1 0 341.432 3.607 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2CCOC3(CCCC3)C2)cc2[nH]ccc21 ZINC000911388172 1039340052 /nfs/dbraw/zinc/34/00/52/1039340052.db2.gz VGSVZHURAZBHJQ-LBPRGKRZSA-N -1 0 342.395 3.544 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC000911475014 1039375546 /nfs/dbraw/zinc/37/55/46/1039375546.db2.gz ZKHJHVOAJUEBFK-RYUDHWBXSA-N -1 0 339.819 3.957 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N(CCC(=O)[O-])C3CC3)c(F)c2)cc1 ZINC000237711394 1039416927 /nfs/dbraw/zinc/41/69/27/1039416927.db2.gz ZJCDCPSZRUVITB-UHFFFAOYSA-N -1 0 341.382 3.880 20 0 EHADRM CCc1cccc(C)c1N=c1[n-]nc(SCc2ccnn2C)s1 ZINC000500766518 1039440083 /nfs/dbraw/zinc/44/00/83/1039440083.db2.gz JZUIQWRAHCVYHD-UHFFFAOYSA-N -1 0 345.497 3.600 20 0 EHADRM Cc1cc(F)c(NC(=O)c2ccc(C3CC3)nc2C)cc1C(=O)[O-] ZINC000911687089 1039460048 /nfs/dbraw/zinc/46/00/48/1039460048.db2.gz RJEHWDDHXIKLOI-UHFFFAOYSA-N -1 0 328.343 3.665 20 0 EHADRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2F)nn1[C@@H](C)C1CC1 ZINC000911686293 1039460906 /nfs/dbraw/zinc/46/09/06/1039460906.db2.gz ILYHWJKNIFIPER-NSHDSACASA-N -1 0 345.374 3.561 20 0 EHADRM CCC[C@@H](C(=O)Nc1cc(C(=O)[O-])c(C)cc1F)c1ccccn1 ZINC000911690156 1039462349 /nfs/dbraw/zinc/46/23/49/1039462349.db2.gz XSPDAGHAQIEIAZ-GFCCVEGCSA-N -1 0 330.359 3.750 20 0 EHADRM O=C([O-])CCCOc1ccc(CNC(=O)CCC2CCCC2)cc1 ZINC000237993234 1039468490 /nfs/dbraw/zinc/46/84/90/1039468490.db2.gz YBCBNZTWMGQSRC-UHFFFAOYSA-N -1 0 333.428 3.517 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])[C@@H]1COc2ccc(Cl)cc21 ZINC000488916212 1039469427 /nfs/dbraw/zinc/46/94/27/1039469427.db2.gz VGHKDJAWFKMOHP-SNVBAGLBSA-N -1 0 342.153 3.953 20 0 EHADRM C[C@H](NC(=O)N=c1[n-]nc(C2CC2)s1)c1cc2ccccc2s1 ZINC000554555675 1039471863 /nfs/dbraw/zinc/47/18/63/1039471863.db2.gz NVPNJRFAIDQSCS-VIFPVBQESA-N -1 0 344.465 3.935 20 0 EHADRM CCCN(C(=O)c1ccc(-c2ccccc2OC)s1)[C@@H](C)C(=O)[O-] ZINC000911700696 1039474967 /nfs/dbraw/zinc/47/49/67/1039474967.db2.gz HLIWJOLENWNCLN-LBPRGKRZSA-N -1 0 347.436 3.749 20 0 EHADRM CCc1nc(C)c(C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)s1 ZINC000911738281 1039478317 /nfs/dbraw/zinc/47/83/17/1039478317.db2.gz BASPGXXXNRDXJY-UHFFFAOYSA-N -1 0 348.424 3.752 20 0 EHADRM O=C([O-])c1ccccc1NC1(c2ccc(C(F)(F)F)cc2)COC1 ZINC001168374958 1039487210 /nfs/dbraw/zinc/48/72/10/1039487210.db2.gz CKODDCUDYSEZBQ-UHFFFAOYSA-N -1 0 337.297 3.741 20 0 EHADRM Cc1cc(Nc2c(C)c(Br)c[nH]c2=O)ccc1C(=O)[O-] ZINC001211652996 1039519762 /nfs/dbraw/zinc/51/97/62/1039519762.db2.gz VVTDCGFYISZIEB-UHFFFAOYSA-N -1 0 337.173 3.608 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1ccc(OC2CCCC2)cc1 ZINC000237940501 1039529922 /nfs/dbraw/zinc/52/99/22/1039529922.db2.gz RHJXVZLIEJPRPY-INIZCTEOSA-N -1 0 345.439 3.868 20 0 EHADRM Clc1sccc1CN=c1[n-]nc(CCCc2ccccc2)o1 ZINC000478573551 1039546899 /nfs/dbraw/zinc/54/68/99/1039546899.db2.gz BONKKLSHGQIJCO-UHFFFAOYSA-N -1 0 333.844 3.994 20 0 EHADRM Cn1c(=N)[n-]nc1SCc1cccc(SCc2ccccc2)c1 ZINC000554699424 1039607813 /nfs/dbraw/zinc/60/78/13/1039607813.db2.gz SSQDPWKYTXIKJS-UHFFFAOYSA-N -1 0 342.493 3.812 20 0 EHADRM O=C(CCc1ccc(Cl)c(Cl)c1)[N-]S(=O)(=O)CCCF ZINC000080317053 1039628527 /nfs/dbraw/zinc/62/85/27/1039628527.db2.gz UVHVLIHACGQLMB-UHFFFAOYSA-N -1 0 342.219 3.572 20 0 EHADRM C[C@H](CN(C)C(=O)CC1(CCc2ccccc2)CCCC1)C(=O)[O-] ZINC000485881703 1039645070 /nfs/dbraw/zinc/64/50/70/1039645070.db2.gz GOTBNGRWTBTTCS-MRXNPFEDSA-N -1 0 331.456 3.749 20 0 EHADRM CCOc1ccc(C[C@H](CNC(=O)C[C@@H](C)C(C)(C)C)C(=O)[O-])cc1 ZINC000485883832 1039648305 /nfs/dbraw/zinc/64/83/05/1039648305.db2.gz PDDGFJBPBCFCBV-GDBMZVCRSA-N -1 0 349.471 3.517 20 0 EHADRM C[C@@H]1CCc2nc(CN[C@H](C(=O)[O-])C3(C)CCCCC3)sc2C1 ZINC000426736699 1039675560 /nfs/dbraw/zinc/67/55/60/1039675560.db2.gz KEVZWSKJCSPMTJ-MLGOLLRUSA-N -1 0 336.501 3.781 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)s1 ZINC000324657376 1039801024 /nfs/dbraw/zinc/80/10/24/1039801024.db2.gz HGQNWERSHUFEEK-ORAYPTAESA-N -1 0 345.464 3.536 20 0 EHADRM CN(C(=O)N=c1nc(-c2ccccc2)[n-]s1)[C@H]1CCC(C)(C)C1 ZINC000478910140 1039805985 /nfs/dbraw/zinc/80/59/85/1039805985.db2.gz QZNQJXAUWKOEPN-ZDUSSCGKSA-N -1 0 330.457 3.669 20 0 EHADRM COc1cc(N=c2nc(C(F)(F)F)[n-]s2)ccc1OC(C)C ZINC000553160536 1039841907 /nfs/dbraw/zinc/84/19/07/1039841907.db2.gz RBLXKTJZQBWQPY-UHFFFAOYSA-N -1 0 333.335 3.518 20 0 EHADRM CCCc1nc(C)c([N-]S(=O)(=O)c2cccc(Cl)c2F)s1 ZINC000486113584 1039893141 /nfs/dbraw/zinc/89/31/41/1039893141.db2.gz CRZLNWGBJYXTID-UHFFFAOYSA-N -1 0 348.852 3.997 20 0 EHADRM CCOc1cccc([N-]S(=O)(=O)c2cc(C)c(Cl)s2)c1 ZINC000473399115 1039939396 /nfs/dbraw/zinc/93/93/96/1039939396.db2.gz OAGGIEBRXBWKGE-UHFFFAOYSA-N -1 0 331.846 3.909 20 0 EHADRM CCCc1nc(=NC(=O)N[C@@H](C)c2cc3cccc(F)c3o2)s[n-]1 ZINC000554936610 1039951635 /nfs/dbraw/zinc/95/16/35/1039951635.db2.gz XAAJXNYVFDNCBU-VIFPVBQESA-N -1 0 348.403 3.681 20 0 EHADRM O=C([O-])c1cc(/C=C/c2cocn2)nc(-c2ccc(Cl)cc2)n1 ZINC000486198035 1039969778 /nfs/dbraw/zinc/96/97/78/1039969778.db2.gz QGWAAAFVYDOAPG-AATRIKPKSA-N -1 0 327.727 3.654 20 0 EHADRM Cc1cc(Cl)ccc1S(=O)(=O)N[C@@](C)(C1CC1)C(F)(F)F ZINC000479152169 1040002087 /nfs/dbraw/zinc/00/20/87/1040002087.db2.gz GQVMQTQLWVOKKJ-LBPRGKRZSA-N -1 0 341.782 3.658 20 0 EHADRM Fc1cccc([C@H]2CC[C@H](N=c3[n-]nc(-c4ccccn4)s3)C2)c1 ZINC000480783179 1040005032 /nfs/dbraw/zinc/00/50/32/1040005032.db2.gz BOFVTRPJWVQSMG-ZFWWWQNUSA-N -1 0 340.427 3.909 20 0 EHADRM CC(C)c1ncc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)s1 ZINC000417562519 1040010673 /nfs/dbraw/zinc/01/06/73/1040010673.db2.gz MRWOFHDDQZGJDX-ZDUSSCGKSA-N -1 0 342.823 3.975 20 0 EHADRM C[C@@H](N=c1[n-]c(-c2cccc(Cl)c2)no1)c1c(F)cncc1F ZINC000553368196 1040014324 /nfs/dbraw/zinc/01/43/24/1040014324.db2.gz VTWZLRZSSIVVOK-MRVPVSSYSA-N -1 0 336.729 3.658 20 0 EHADRM O=C([O-])CCCc1ccc(NCc2ccc(Br)cn2)cc1 ZINC000417585013 1040033486 /nfs/dbraw/zinc/03/34/86/1040033486.db2.gz OEPCDBBQAJSPJD-UHFFFAOYSA-N -1 0 349.228 3.864 20 0 EHADRM CSc1ccc(O[C@H](C)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000486287364 1040039108 /nfs/dbraw/zinc/03/91/08/1040039108.db2.gz XDLVSIKQNAWTBL-GFCCVEGCSA-N -1 0 345.420 3.821 20 0 EHADRM COc1cc(F)cc(CNc2cccc(C(=O)[O-])c2OC(C)C)c1 ZINC000417594723 1040046474 /nfs/dbraw/zinc/04/64/74/1040046474.db2.gz WYWYXDWZKWTOOI-UHFFFAOYSA-N -1 0 333.359 3.932 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N=c1[n-]nc(C(F)F)s1 ZINC000486301082 1040053645 /nfs/dbraw/zinc/05/36/45/1040053645.db2.gz VUGBGQBNCJFYKV-UHFFFAOYSA-N -1 0 343.355 3.812 20 0 EHADRM C[C@H](Cc1ccc(NCc2cn(C)nc2C(C)(C)C)cc1)C(=O)[O-] ZINC000417606751 1040057324 /nfs/dbraw/zinc/05/73/24/1040057324.db2.gz FHLNBFJGSUVCLC-CYBMUJFWSA-N -1 0 329.444 3.593 20 0 EHADRM COCCOc1ccccc1CNc1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000417615226 1040086875 /nfs/dbraw/zinc/08/68/75/1040086875.db2.gz WZYKOEURLOJPTC-OAHLLOKOSA-N -1 0 343.423 3.902 20 0 EHADRM Cc1c(NC(=O)CCc2ccc([C@@H]3C[C@@H]3C)o2)cccc1C(=O)[O-] ZINC000324770945 1040092659 /nfs/dbraw/zinc/09/26/59/1040092659.db2.gz DJIQABCWOHTLCG-XHDPSFHLSA-N -1 0 327.380 3.981 20 0 EHADRM COc1ccc(CCC(=O)[O-])cc1NCc1cnc(CC(C)C)s1 ZINC000417634966 1040096637 /nfs/dbraw/zinc/09/66/37/1040096637.db2.gz ZPMNTLIUNFDAQZ-UHFFFAOYSA-N -1 0 348.468 3.980 20 0 EHADRM Cc1oc(-c2ccccc2)c(C(=O)N[C@@H](CC(=O)[O-])C2CC2)c1C ZINC000907585922 1040101713 /nfs/dbraw/zinc/10/17/13/1040101713.db2.gz IUUNPIZSVLLRCD-HNNXBMFYSA-N -1 0 327.380 3.547 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)N[C@H]3CCCC[C@H]3C)cc2)cc(=O)[nH]1 ZINC000332699256 1040106559 /nfs/dbraw/zinc/10/65/59/1040106559.db2.gz NURQGEOCWGPILC-WBMJQRKESA-N -1 0 340.427 3.858 20 0 EHADRM CC(C)(C)c1cnc(CNCc2cc(F)c(C(=O)[O-])c(F)c2)s1 ZINC000417647902 1040109568 /nfs/dbraw/zinc/10/95/68/1040109568.db2.gz MORUJJLQUBJNLO-UHFFFAOYSA-N -1 0 340.395 3.707 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2ccccc2C2CCC2)n1 ZINC000907704061 1040135142 /nfs/dbraw/zinc/13/51/42/1040135142.db2.gz LVKPDKKKBGKYFS-MRXNPFEDSA-N -1 0 341.411 3.829 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(C(=O)[O-])cc1F)Cc1cccc(F)c1 ZINC000479334578 1040161250 /nfs/dbraw/zinc/16/12/50/1040161250.db2.gz MFBCWJJLRUMBRO-LLVKDONJSA-N -1 0 333.334 3.870 20 0 EHADRM C[C@@H](C(=O)Nc1ccc2[n-]c(=S)oc2c1)n1cnc2ccccc21 ZINC000178645863 1040165958 /nfs/dbraw/zinc/16/59/58/1040165958.db2.gz DMXVTUNFVRCWET-JTQLQIEISA-N -1 0 338.392 3.666 20 0 EHADRM CC(C)[C@@H]1N(C(=O)N=c2[n-]nc(-c3ccsc3)s2)CC1(C)C ZINC000432918172 1040175862 /nfs/dbraw/zinc/17/58/62/1040175862.db2.gz RQWNDYUNTDPLHI-NSHDSACASA-N -1 0 336.486 3.587 20 0 EHADRM CC(C)c1cnc(-c2ccc(NC(=O)N(C)CCCC(=O)[O-])cc2)o1 ZINC000417742975 1040218059 /nfs/dbraw/zinc/21/80/59/1040218059.db2.gz BKTOFUURHUNSGR-UHFFFAOYSA-N -1 0 345.399 3.794 20 0 EHADRM CC(C)c1ccc(SCC(=O)N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@H]23)cc1 ZINC000907929130 1040233909 /nfs/dbraw/zinc/23/39/09/1040233909.db2.gz GKZKXDFMKMWGKM-NXNVCVFFSA-N -1 0 347.480 3.518 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)C(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@H]12 ZINC000907952193 1040244500 /nfs/dbraw/zinc/24/45/00/1040244500.db2.gz IBLVHVQNKUWWRP-ARWBCWGVSA-N -1 0 343.467 3.507 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N[C@@H]1CCCC2(CC2)C1)C(=O)[O-] ZINC000907982653 1040256994 /nfs/dbraw/zinc/25/69/94/1040256994.db2.gz FPZIUGYAEZYDMT-QWHCGFSZSA-N -1 0 333.453 3.704 20 0 EHADRM Cc1csc(-c2cccc(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)c2)n1 ZINC000908023816 1040266394 /nfs/dbraw/zinc/26/63/94/1040266394.db2.gz IQJNFQDUVGHEFB-CQSZACIVSA-N -1 0 346.452 3.738 20 0 EHADRM CC(C)N(Cc1cccs1)C(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000391960151 1040279599 /nfs/dbraw/zinc/27/95/99/1040279599.db2.gz IVLIZZKJNBVKCY-LJQANCHMSA-N -1 0 345.464 3.918 20 0 EHADRM CN(C(=O)[C@@H]1CCC[C@@H]1c1ccccc1)c1cccc(CC(=O)[O-])c1 ZINC000908083016 1040279473 /nfs/dbraw/zinc/27/94/73/1040279473.db2.gz MSRMQRZAMXMVHI-RTBURBONSA-N -1 0 337.419 3.860 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccccc1OCC1CC1 ZINC000479481492 1040280475 /nfs/dbraw/zinc/28/04/75/1040280475.db2.gz HNSHSQBOYHKSNG-UHFFFAOYSA-N -1 0 335.400 3.724 20 0 EHADRM Cc1ccc(SCCC(=O)N(C)c2cccc(CC(=O)[O-])c2)cc1 ZINC000908073389 1040286888 /nfs/dbraw/zinc/28/68/88/1040286888.db2.gz KLJUIPUAIBOWNW-UHFFFAOYSA-N -1 0 343.448 3.767 20 0 EHADRM CN(C(=O)c1cc2c(s1)CCCC2)c1cccc(CC(=O)[O-])c1 ZINC000908074915 1040288308 /nfs/dbraw/zinc/28/83/08/1040288308.db2.gz ZUEFXWMYUFNHKR-UHFFFAOYSA-N -1 0 329.421 3.531 20 0 EHADRM CC[C@@H](C(=O)N(C)c1cccc(CC(=O)[O-])c1)c1ccc(F)cc1 ZINC000908079847 1040290414 /nfs/dbraw/zinc/29/04/14/1040290414.db2.gz IYFCLZWTWKMHOY-QGZVFWFLSA-N -1 0 329.371 3.609 20 0 EHADRM Cc1ccsc1CN(C)C(=O)c1cccc(Br)c1[O-] ZINC000555224831 1040298337 /nfs/dbraw/zinc/29/83/37/1040298337.db2.gz JUZXJGHTYVFKNL-UHFFFAOYSA-N -1 0 340.242 3.797 20 0 EHADRM Cc1cccc([C@H](C)C(=O)Nc2cc(-c3n[nH]c(=O)[n-]3)ccc2C)c1 ZINC001625897426 1040302543 /nfs/dbraw/zinc/30/25/43/1040302543.db2.gz ZEAQKPTVLKGHBN-ZDUSSCGKSA-N -1 0 336.395 3.536 20 0 EHADRM CSCc1cccc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000899311252 1040311320 /nfs/dbraw/zinc/31/13/20/1040311320.db2.gz MULSGMSVIHXHSF-HNNXBMFYSA-N -1 0 336.457 3.801 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)c2ccccc2Nc2ccccc2)CC1 ZINC000364169701 1040327134 /nfs/dbraw/zinc/32/71/34/1040327134.db2.gz LNFZBOKGJHUNDZ-UHFFFAOYSA-N -1 0 338.407 3.757 20 0 EHADRM Cc1ccc(C)c(OCCCCC(=O)N2CCC(C)(C(=O)[O-])CC2)c1 ZINC000364180040 1040359747 /nfs/dbraw/zinc/35/97/47/1040359747.db2.gz HSBQANZPEVIIMP-UHFFFAOYSA-N -1 0 347.455 3.566 20 0 EHADRM O=C(Cc1csc(Cc2ccccc2)n1)[N-]OCc1ccccc1 ZINC000031616486 1040392276 /nfs/dbraw/zinc/39/22/76/1040392276.db2.gz AAGPOEVZTUWEIS-UHFFFAOYSA-N -1 0 338.432 3.524 20 0 EHADRM Cc1ccc(C)c(C2CCN(C(=O)c3ccoc3CC(=O)[O-])CC2)c1 ZINC000908354541 1040406627 /nfs/dbraw/zinc/40/66/27/1040406627.db2.gz GYYMKCNJVUXYAG-UHFFFAOYSA-N -1 0 341.407 3.543 20 0 EHADRM CC(C)(C)c1ncc(C(=O)NCCCCC2(C(=O)[O-])CCC2)s1 ZINC000908355698 1040407687 /nfs/dbraw/zinc/40/76/87/1040407687.db2.gz VQPLLCAPMBLARC-UHFFFAOYSA-N -1 0 338.473 3.596 20 0 EHADRM Cc1cc(C(=O)N[C@@H]2CC[C@H](CC(=O)[O-])C2)c(C)n1C1CCCCC1 ZINC000908367808 1040415156 /nfs/dbraw/zinc/41/51/56/1040415156.db2.gz RGWPGJQEMXPBGW-JKSUJKDBSA-N -1 0 346.471 3.983 20 0 EHADRM CCC(CC)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000908411096 1040439694 /nfs/dbraw/zinc/43/96/94/1040439694.db2.gz YFDGJJJNTCKPEX-ZDUSSCGKSA-N -1 0 331.334 3.774 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)N[C@@H]2CC[C@H](CC(=O)[O-])C2)c1 ZINC000908387652 1040444105 /nfs/dbraw/zinc/44/41/05/1040444105.db2.gz YDVMZNQUWXHEPB-HLLBOEOZSA-N -1 0 347.455 3.729 20 0 EHADRM CN(C(=O)N=c1[n-]nc(SCc2ccccc2)s1)[C@@H]1CC1(C)C ZINC000486792115 1040449696 /nfs/dbraw/zinc/44/96/96/1040449696.db2.gz SEIOKWGHRHOYQO-GFCCVEGCSA-N -1 0 348.497 3.515 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[O-] ZINC000388344598 1040523000 /nfs/dbraw/zinc/52/30/00/1040523000.db2.gz ISGXDCDEUCCYNG-GFCCVEGCSA-N -1 0 338.713 3.734 20 0 EHADRM CC(C)=CC[C@@H](NC(=O)Nc1cccc(C2CCOCC2)c1)C(=O)[O-] ZINC000908628968 1040537337 /nfs/dbraw/zinc/53/73/37/1040537337.db2.gz OZUSHKHDSZSOGH-QGZVFWFLSA-N -1 0 346.427 3.512 20 0 EHADRM CC[C@@H](NC(=O)N=c1[n-]nc(/C=C\c2ccco2)s1)C(C)(C)C ZINC000486915402 1040540752 /nfs/dbraw/zinc/54/07/52/1040540752.db2.gz GCNPLLLBHLUREG-JLVNDZCYSA-N -1 0 334.445 3.670 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)Nc1cccc(COC(C)(C)C)c1)C1CC1 ZINC000908636801 1040543634 /nfs/dbraw/zinc/54/36/34/1040543634.db2.gz VFXABCUFJIZPCS-INIZCTEOSA-N -1 0 348.443 3.861 20 0 EHADRM COc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1C1CC1 ZINC000908642214 1040551305 /nfs/dbraw/zinc/55/13/05/1040551305.db2.gz QESGGLUAIPFSIV-CQSZACIVSA-N -1 0 345.420 3.580 20 0 EHADRM COc1ccccc1-n1ncc(C)c1Nc1ccc(C(=O)[O-])c(C)c1 ZINC001211655195 1040552967 /nfs/dbraw/zinc/55/29/67/1040552967.db2.gz QJVVSHOBHUZUTK-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM CCC(C)(C)c1ccc(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000908654333 1040559630 /nfs/dbraw/zinc/55/96/30/1040559630.db2.gz ZSDMIEOTLKTZMQ-INIZCTEOSA-N -1 0 329.440 3.701 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccccc1)c1ccc(-c2ccc(F)cc2)o1 ZINC000042232222 1040561041 /nfs/dbraw/zinc/56/10/41/1040561041.db2.gz RWDRJVBMJBBFNW-UHFFFAOYSA-N -1 0 345.351 3.779 20 0 EHADRM C[C@H](C(=O)N1CCC(CC(=O)[O-])CC1)c1ccc(C(F)(F)F)cc1 ZINC000908675053 1040582747 /nfs/dbraw/zinc/58/27/47/1040582747.db2.gz NYUAOEDRSARQDO-NSHDSACASA-N -1 0 343.345 3.522 20 0 EHADRM CC(C)CCc1n[n-]c(=NCc2c(F)cccc2Br)o1 ZINC000479794464 1040609708 /nfs/dbraw/zinc/60/97/08/1040609708.db2.gz GNAJYHWZRCAPCX-UHFFFAOYSA-N -1 0 342.212 3.594 20 0 EHADRM CCC[C@@H](Cc1ccccc1)N=c1[n-]nc(C2CCOCC2)s1 ZINC000549486673 1040626968 /nfs/dbraw/zinc/62/69/68/1040626968.db2.gz DQQVPLQRMNKAQK-INIZCTEOSA-N -1 0 331.485 3.677 20 0 EHADRM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000500159446 1040639936 /nfs/dbraw/zinc/63/99/36/1040639936.db2.gz UXRLOUFITDMDCR-XJKSGUPXSA-N -1 0 345.418 3.758 20 0 EHADRM CSc1nc(=NC(=O)c2ccc([C@H](C)C(F)(F)F)cc2)s[n-]1 ZINC000411276396 1040643489 /nfs/dbraw/zinc/64/34/89/1040643489.db2.gz MBTHVKJBVKBZLP-ZETCQYMHSA-N -1 0 347.387 3.600 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N[C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000908788942 1040649827 /nfs/dbraw/zinc/64/98/27/1040649827.db2.gz NLQFRPCCIGXKHL-RISCZKNCSA-N -1 0 346.452 3.715 20 0 EHADRM CC(C)Cc1nsc(N2CCC(C(=O)c3ccc(O)cc3)CC2)n1 ZINC000364285288 1040685066 /nfs/dbraw/zinc/68/50/66/1040685066.db2.gz AUVCESXKTYUEAY-UHFFFAOYSA-N -1 0 345.468 3.542 20 0 EHADRM Cc1ccc(CCC(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)s1 ZINC000908936913 1040714815 /nfs/dbraw/zinc/71/48/15/1040714815.db2.gz CSWHPGRROQPWLW-INIZCTEOSA-N -1 0 331.437 3.711 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@H]2CCCC[C@H]2c2ccccc2)s1 ZINC000512734113 1040714940 /nfs/dbraw/zinc/71/49/40/1040714940.db2.gz IWICCTBKWHXRBB-GJZGRUSLSA-N -1 0 344.484 3.760 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000909059480 1040782419 /nfs/dbraw/zinc/78/24/19/1040782419.db2.gz XEWMVCDVRQMEPI-MEBBXXQBSA-N -1 0 331.334 3.569 20 0 EHADRM CCc1cccc(NC(=O)N(CC(=O)[O-])[C@H](C)c2ccccc2)c1 ZINC000569775050 1040822586 /nfs/dbraw/zinc/82/25/86/1040822586.db2.gz AQILEOTXWVKXHQ-CQSZACIVSA-N -1 0 326.396 3.929 20 0 EHADRM C[C@@H]1CCCCCN1C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000668771415 1040862606 /nfs/dbraw/zinc/86/26/06/1040862606.db2.gz NEBRGHSMCIKYGK-GFCCVEGCSA-N -1 0 333.819 3.636 20 0 EHADRM CC(C)n1nc(-c2ccco2)cc1[N-]S(=O)(=O)c1ccccc1F ZINC000433133799 1040871361 /nfs/dbraw/zinc/87/13/61/1040871361.db2.gz ZXNDBRIDOZYDSX-UHFFFAOYSA-N -1 0 349.387 3.664 20 0 EHADRM CC(C)OCc1cccc(-c2cccc3c2NC(=O)[C@@H]3CC(=O)[O-])c1 ZINC000899633889 1040884077 /nfs/dbraw/zinc/88/40/77/1040884077.db2.gz NLYKSFWPBANYDO-QGZVFWFLSA-N -1 0 339.391 3.789 20 0 EHADRM CC(C)n1nc(-c2ccco2)cc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000433143888 1040909898 /nfs/dbraw/zinc/90/98/98/1040909898.db2.gz JYZUPWSHJPLPSF-UHFFFAOYSA-N -1 0 349.387 3.664 20 0 EHADRM CCCOc1ccc(CN[C@H](C(=O)[O-])c2c(F)cccc2F)cc1 ZINC000555616561 1040924868 /nfs/dbraw/zinc/92/48/68/1040924868.db2.gz ACOCOVJNOWUHJU-KRWDZBQOSA-N -1 0 335.350 3.669 20 0 EHADRM CCC(CC)N(C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-])C1CC1 ZINC000667889068 1040959656 /nfs/dbraw/zinc/95/96/56/1040959656.db2.gz PDJWWQZHNIFPBK-UHFFFAOYSA-N -1 0 349.381 3.649 20 0 EHADRM CC1N=NC(C(=O)Nc2ccc(OCC3CCCCC3)cc2)=C1[O-] ZINC001142642485 1040983163 /nfs/dbraw/zinc/98/31/63/1040983163.db2.gz DIMCBTMUOPWMLS-UHFFFAOYSA-N -1 0 329.400 3.635 20 0 EHADRM Cc1cc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)nn1C(C)(C)C ZINC000163695736 1040994491 /nfs/dbraw/zinc/99/44/91/1040994491.db2.gz KZLOMCKARRXHMN-UHFFFAOYSA-N -1 0 330.413 3.629 20 0 EHADRM Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)c(Cl)c1 ZINC000909835205 1041030790 /nfs/dbraw/zinc/03/07/90/1041030790.db2.gz GBAYUPGOYAHTQJ-HOTGVXAUSA-N -1 0 343.810 3.589 20 0 EHADRM CCC(CC)n1ccc(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)n1 ZINC000909833316 1041030806 /nfs/dbraw/zinc/03/08/06/1041030806.db2.gz HPAADLOYCMPICG-GFCCVEGCSA-N -1 0 329.400 3.685 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)s1 ZINC000042350430 1041035885 /nfs/dbraw/zinc/03/58/85/1041035885.db2.gz HOPIRJJPQGAIDS-UHFFFAOYSA-N -1 0 346.271 3.874 20 0 EHADRM C[C@H](C(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1)c1ccncc1 ZINC000909843810 1041037221 /nfs/dbraw/zinc/03/72/21/1041037221.db2.gz JFUIPWVWQBBNCZ-WMLDXEAASA-N -1 0 332.444 3.505 20 0 EHADRM C[C@H]1CN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CCc2ccccc21 ZINC000909899605 1041058669 /nfs/dbraw/zinc/05/86/69/1041058669.db2.gz ABCJKTYPQWWPLK-VUZGARFFSA-N -1 0 341.451 3.600 20 0 EHADRM Cc1nc2c(nccc2C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)[nH]1 ZINC000437002896 1041064076 /nfs/dbraw/zinc/06/40/76/1041064076.db2.gz NOALDHLABKNTPG-UHFFFAOYSA-N -1 0 337.166 3.531 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])C[C@H]1C(=O)Nc1ccc(Oc2ccccn2)cc1 ZINC000899769429 1041084010 /nfs/dbraw/zinc/08/40/10/1041084010.db2.gz CKQXPPUQDAAIFH-HNAYVOBHSA-N -1 0 340.379 3.559 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCc1c(Cl)cccc1Cl ZINC000655544318 1041087885 /nfs/dbraw/zinc/08/78/85/1041087885.db2.gz NYQBPRNEGICFJG-GHMZBOCLSA-N -1 0 344.238 3.638 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])C[C@H]1C(=O)Nc1ccc(Oc2ccncc2)cc1 ZINC000899764631 1041093338 /nfs/dbraw/zinc/09/33/38/1041093338.db2.gz ACWNAZCDZVBNIR-QFBILLFUSA-N -1 0 340.379 3.559 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000899765545 1041094537 /nfs/dbraw/zinc/09/45/37/1041094537.db2.gz QWDSGLUDTHAZEG-FZMZJTMJSA-N -1 0 339.432 3.616 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000899775385 1041112752 /nfs/dbraw/zinc/11/27/52/1041112752.db2.gz YIDIAWWCDFOBCF-WBVHZDCISA-N -1 0 346.471 3.601 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N[C@@H](C)c2cccc(F)c2F)C(=O)[O-])cc1 ZINC000899775194 1041112825 /nfs/dbraw/zinc/11/28/25/1041112825.db2.gz KCRMXLUEBDZPGB-SWLSCSKDSA-N -1 0 347.361 3.709 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(-c2ccccn2)cc1 ZINC000899786316 1041121647 /nfs/dbraw/zinc/12/16/47/1041121647.db2.gz RAQVFWDAKWYMFC-HNNXBMFYSA-N -1 0 326.396 3.824 20 0 EHADRM COc1cc(Cl)c(NC(=O)[C@H](CC(=O)[O-])CC(C)C)cc1C ZINC000899785790 1041121999 /nfs/dbraw/zinc/12/19/99/1041121999.db2.gz LAZVWTFMQGZEFF-NSHDSACASA-N -1 0 327.808 3.733 20 0 EHADRM CCC(CC)(NC(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21)C(=O)[O-] ZINC000555790948 1041150780 /nfs/dbraw/zinc/15/07/80/1041150780.db2.gz NETBIPYWUKOCIB-ZDUSSCGKSA-N -1 0 336.432 3.544 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@H]3C[C@]3(C(=O)[O-])C(C)C)c2)oc1C ZINC000899804314 1041161911 /nfs/dbraw/zinc/16/19/11/1041161911.db2.gz ZDVCPPVLGVAMOU-BEFAXECRSA-N -1 0 342.395 3.644 20 0 EHADRM CCC[C@@]1(C(=O)[O-])CCCN1C(=O)c1coc(C2CCCCC2)n1 ZINC000910112670 1041194558 /nfs/dbraw/zinc/19/45/58/1041194558.db2.gz BSPBKAOCIHDVTO-SFHVURJKSA-N -1 0 334.416 3.582 20 0 EHADRM O=C([O-])CN(C(=O)Nc1cccc(Oc2ccccc2)c1)C1CCC1 ZINC000576182699 1041212899 /nfs/dbraw/zinc/21/28/99/1041212899.db2.gz DLYQMZMDKMYRKV-UHFFFAOYSA-N -1 0 340.379 3.950 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)Nc1cccc(CC(F)(F)F)c1)C1CC1 ZINC000555853006 1041228049 /nfs/dbraw/zinc/22/80/49/1041228049.db2.gz QTESHCCEQHLBDY-ZDUSSCGKSA-N -1 0 344.333 3.651 20 0 EHADRM CCC(=CC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F)CC ZINC000910221874 1041239804 /nfs/dbraw/zinc/23/98/04/1041239804.db2.gz ZARBWIMOIVKVJN-UHFFFAOYSA-N -1 0 327.327 3.714 20 0 EHADRM CC[C@](C)(NC(=O)Nc1cccc(CCC(F)(F)F)c1)C(=O)[O-] ZINC000555851547 1041242007 /nfs/dbraw/zinc/24/20/07/1041242007.db2.gz GCKXCDXDDORGMV-AWEZNQCLSA-N -1 0 332.322 3.556 20 0 EHADRM O=C([O-])c1ccccc1OCCOc1cccc(C(F)(F)F)c1 ZINC000319523206 1041271015 /nfs/dbraw/zinc/27/10/15/1041271015.db2.gz BAUZXZZGKIDEHJ-UHFFFAOYSA-N -1 0 326.270 3.861 20 0 EHADRM CSC1(CNS(=O)(=O)c2cc(Cl)ccc2Cl)CCC1 ZINC000433357930 1041332317 /nfs/dbraw/zinc/33/23/17/1041332317.db2.gz WTBVCHZGLXHZSM-UHFFFAOYSA-N -1 0 340.297 3.557 20 0 EHADRM CC[C@H](OCCNC(=O)CC1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000652083777 1041410864 /nfs/dbraw/zinc/41/08/64/1041410864.db2.gz MCRODRVBTSZFSM-VJFUWPCTSA-N -1 0 347.455 3.552 20 0 EHADRM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000511737207 1041492734 /nfs/dbraw/zinc/49/27/34/1041492734.db2.gz ZQPIGWXCUOMKEB-LLVKDONJSA-N -1 0 341.379 3.943 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC000652088995 1041529953 /nfs/dbraw/zinc/52/99/53/1041529953.db2.gz MZDHJDUMHUMFJK-AWEZNQCLSA-N -1 0 344.411 3.517 20 0 EHADRM COc1cc(C)c(NC(=O)CC2(CC(=O)[O-])CCCCC2)cc1OC ZINC000392270888 1041608211 /nfs/dbraw/zinc/60/82/11/1041608211.db2.gz LHCFALZASUWMDV-UHFFFAOYSA-N -1 0 349.427 3.766 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000432130795 1041628131 /nfs/dbraw/zinc/62/81/31/1041628131.db2.gz SYAYWPPHWZDQBE-OXFYSEKESA-N -1 0 331.456 3.795 20 0 EHADRM FC(F)c1n[n-]c(=NCC(Cc2ccccc2)Cc2ccccc2)o1 ZINC000432141117 1041641933 /nfs/dbraw/zinc/64/19/33/1041641933.db2.gz YRKWVNQFBDLFEB-UHFFFAOYSA-N -1 0 343.377 3.943 20 0 EHADRM Cn1cnc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1Cl ZINC000026529439 1041718991 /nfs/dbraw/zinc/71/89/91/1041718991.db2.gz GFBBSVLNFYTJEP-UHFFFAOYSA-N -1 0 347.827 3.541 20 0 EHADRM CC(C)Sc1ccccc1NC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000647697375 1041760386 /nfs/dbraw/zinc/76/03/86/1041760386.db2.gz FJVPKRFPAPLQFQ-QWHCGFSZSA-N -1 0 336.457 3.762 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000044830940 1041993033 /nfs/dbraw/zinc/99/30/33/1041993033.db2.gz NLTUWYPSGCLKRL-IAGOWNOFSA-N -1 0 329.396 3.614 20 0 EHADRM COc1cccc2c(N3CCC[C@H](CCC(=O)[O-])C3)cc(C)nc12 ZINC000662886917 1042192710 /nfs/dbraw/zinc/19/27/10/1042192710.db2.gz ATCRAEVCJVTYFF-CQSZACIVSA-N -1 0 328.412 3.633 20 0 EHADRM CC(C)Sc1ccc([C@@H](C)NC(=O)C2(C(=O)[O-])CC=CC2)cc1 ZINC000663033989 1042366617 /nfs/dbraw/zinc/36/66/17/1042366617.db2.gz OBQRVXOUJANAHG-CYBMUJFWSA-N -1 0 333.453 3.785 20 0 EHADRM COc1ccc2oc([C@@H](C)NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c(C)c2c1 ZINC000663035376 1042371444 /nfs/dbraw/zinc/37/14/44/1042371444.db2.gz MAGSRSGSMVPPLC-ABAIWWIYSA-N -1 0 347.411 3.674 20 0 EHADRM C[C@H](NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c1ccc(OC(F)(F)F)cc1 ZINC000663046792 1042390537 /nfs/dbraw/zinc/39/05/37/1042390537.db2.gz ANIXKYPIWFTNFP-CABZTGNLSA-N -1 0 347.333 3.509 20 0 EHADRM Cc1ccccc1CNc1ccccc1NC(=O)C1(C(=O)[O-])CCC1 ZINC000663046987 1042391119 /nfs/dbraw/zinc/39/11/19/1042391119.db2.gz BWWNUUIWGJEORE-UHFFFAOYSA-N -1 0 338.407 3.801 20 0 EHADRM CC(C)(Oc1ccc(-c2noc(C3(C)CC=CC3)n2)cc1)C(=O)[O-] ZINC000924176608 1042418356 /nfs/dbraw/zinc/41/83/56/1042418356.db2.gz GMFQHLYQWQQLMA-UHFFFAOYSA-N -1 0 328.368 3.586 20 0 EHADRM O=C([O-])C1(C(=O)NC[C@@H](Cc2ccccc2)c2ccccc2)CC=CC1 ZINC000663083440 1042431886 /nfs/dbraw/zinc/43/18/86/1042431886.db2.gz BVKVGQJIMZBJCO-LJQANCHMSA-N -1 0 349.430 3.550 20 0 EHADRM C[C@@H]1CO[C@H](c2ccccc2Cl)CN1Cc1cc(C(=O)[O-])co1 ZINC000652413241 1042464132 /nfs/dbraw/zinc/46/41/32/1042464132.db2.gz FQJNSTBFQWUHDT-BZNIZROVSA-N -1 0 335.787 3.593 20 0 EHADRM O=C([O-])C1CCC(C(=O)N[C@@H](C2CCCCC2)C(F)(F)F)CC1 ZINC000663116653 1042466780 /nfs/dbraw/zinc/46/67/80/1042466780.db2.gz RYSCHYMVXSHQFS-BPCQOVAHSA-N -1 0 335.366 3.505 20 0 EHADRM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663154628 1042499855 /nfs/dbraw/zinc/49/98/55/1042499855.db2.gz KENAPJAPWCTPLJ-RHSMWYFYSA-N -1 0 346.471 3.682 20 0 EHADRM Cc1cnc([C@@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)C2CC2)s1 ZINC000184445524 1042547621 /nfs/dbraw/zinc/54/76/21/1042547621.db2.gz CSTVRJNHXZENFA-LBPRGKRZSA-N -1 0 340.807 3.831 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000601983029 1042653503 /nfs/dbraw/zinc/65/35/03/1042653503.db2.gz FIBZMNBGKSUELB-BFVZDQMLSA-N -1 0 341.860 3.502 20 0 EHADRM CC(C)[C@@H](NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])c1ccccc1Cl ZINC000601980602 1042653709 /nfs/dbraw/zinc/65/37/09/1042653709.db2.gz AKSQXNHNLVKNQS-UHIISALHSA-N -1 0 343.876 3.748 20 0 EHADRM Cc1ccc(-c2cccnc2)cc1NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-] ZINC000601985189 1042653979 /nfs/dbraw/zinc/65/39/79/1042653979.db2.gz YCAMATCBGMWVLU-OLZOCXBDSA-N -1 0 344.436 3.590 20 0 EHADRM CCCn1ccc2cc(NC(=O)[C@H](C)S[C@H](C)C(=O)[O-])ccc21 ZINC000601990877 1042654677 /nfs/dbraw/zinc/65/46/77/1042654677.db2.gz DXVGDOJZCIUPTG-NWDGAFQWSA-N -1 0 334.441 3.585 20 0 EHADRM C[C@H](CCC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC000653328887 1042657902 /nfs/dbraw/zinc/65/79/02/1042657902.db2.gz ONIFJMCYRPSMJP-NIKGAXFTSA-N -1 0 337.419 4.000 20 0 EHADRM Cc1sc(Br)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000094870503 1042840035 /nfs/dbraw/zinc/84/00/35/1042840035.db2.gz MOERUHPCULOPPF-UHFFFAOYSA-N -1 0 332.244 3.620 20 0 EHADRM Cc1ccc(CCCC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC000653331075 1042867653 /nfs/dbraw/zinc/86/76/53/1042867653.db2.gz MPDQUHHTVQJHIP-IAGOWNOFSA-N -1 0 343.448 3.809 20 0 EHADRM O=C([O-])[C@H](CC(F)(F)F)NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000314805387 1042981713 /nfs/dbraw/zinc/98/17/13/1042981713.db2.gz ORWYWDQVLUXFCA-QMMMGPOBSA-N -1 0 345.104 3.521 20 0 EHADRM COc1cccc2c1OCC[C@@H]2N=c1[n-]nc(-c2ccccc2)s1 ZINC000585743607 1043018349 /nfs/dbraw/zinc/01/83/49/1043018349.db2.gz GDSOGKWBUPRBJN-AWEZNQCLSA-N -1 0 339.420 3.571 20 0 EHADRM O=C([O-])c1cccc(NCc2cc(Cl)c3c(c2)OCCCO3)c1 ZINC000319770830 1043045641 /nfs/dbraw/zinc/04/56/41/1043045641.db2.gz DYSOAVBGPXCERO-UHFFFAOYSA-N -1 0 333.771 3.812 20 0 EHADRM FC(F)(F)c1ccc(CN=c2[n-]nc(Cc3ccsc3)o2)s1 ZINC000432413009 1043121590 /nfs/dbraw/zinc/12/15/90/1043121590.db2.gz FALHOLGHUQPUFE-UHFFFAOYSA-N -1 0 345.371 3.836 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N3CC(C)=C[C@H](C)C3)s2)c1 ZINC000432481949 1043433876 /nfs/dbraw/zinc/43/38/76/1043433876.db2.gz XXWZJWPQSVHOCA-ZDUSSCGKSA-N -1 0 342.468 3.674 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N(C)C2(C(=O)[O-])CCCCC2)cc1 ZINC000326645479 1043449319 /nfs/dbraw/zinc/44/93/19/1043449319.db2.gz YROGJSRYESUSIQ-UHFFFAOYSA-N -1 0 334.416 3.725 20 0 EHADRM Cc1ccc(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)cc1O ZINC001211701555 1043509838 /nfs/dbraw/zinc/50/98/38/1043509838.db2.gz DAYQUXFWFCAXOC-UHFFFAOYSA-N -1 0 329.377 3.844 20 0 EHADRM CCCCC[C@@H](NC(=O)c1ccc(Br)cc1C)C(=O)[O-] ZINC000236837248 1043768338 /nfs/dbraw/zinc/76/83/38/1043768338.db2.gz IIVMDEJIUZPHAP-CYBMUJFWSA-N -1 0 342.233 3.521 20 0 EHADRM Cc1ccc(S[C@H](C)C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000013440040 1043910746 /nfs/dbraw/zinc/91/07/46/1043910746.db2.gz CTTJSMHXCDLXCD-CYBMUJFWSA-N -1 0 329.421 3.741 20 0 EHADRM [O-]c1cc(Br)ccc1-c1nc(CCC(F)(F)F)no1 ZINC000094494272 1044225002 /nfs/dbraw/zinc/22/50/02/1044225002.db2.gz YJEOHBCMRILQTM-UHFFFAOYSA-N -1 0 337.095 3.700 20 0 EHADRM CCn1nccc1C1CCN(C(=O)c2cc3ccccc3cc2O)CC1 ZINC000279593813 1044279730 /nfs/dbraw/zinc/27/97/30/1044279730.db2.gz VJSUFRDVMQMEAN-UHFFFAOYSA-N -1 0 349.434 3.782 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(SCc2ccccc2)cc1 ZINC000653340644 1044456956 /nfs/dbraw/zinc/45/69/56/1044456956.db2.gz NPXCIJFONMTMOO-KRWDZBQOSA-N -1 0 343.448 3.914 20 0 EHADRM CC(C)(C)c1coc(CN[C@@H](Cc2cc3ccccc3o2)C(=O)[O-])n1 ZINC001603548776 1126227628 /nfs/dbraw/zinc/22/76/28/1126227628.db2.gz ATMBLLIVZCCLKY-AWEZNQCLSA-N -1 0 342.395 3.504 20 0 EHADRM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1cc2n(n1)CCC2 ZINC000622481056 1126706075 /nfs/dbraw/zinc/70/60/75/1126706075.db2.gz DJZGEIGUEKEOIU-UHFFFAOYSA-N -1 0 346.601 3.747 20 0 EHADRM CC(C)Oc1ccc(N(C)C(=O)c2s[n-]c(=O)c2Cl)cc1 ZINC000622556514 1126722376 /nfs/dbraw/zinc/72/23/76/1126722376.db2.gz FPMOJBYZXPLPJB-UHFFFAOYSA-N -1 0 326.805 3.566 20 0 EHADRM CCC[C@@]1(COC)CCCN1C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000622560364 1126722970 /nfs/dbraw/zinc/72/29/70/1126722970.db2.gz CHXWQENRKDGKGU-INIZCTEOSA-N -1 0 345.361 3.832 20 0 EHADRM C[C@@H](CC(C)(C)O)NC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000622642172 1126738223 /nfs/dbraw/zinc/73/82/23/1126738223.db2.gz UGQKHDRZFYUUEB-LBPRGKRZSA-N -1 0 347.842 3.992 20 0 EHADRM COc1ccc(C(=O)[O-])cc1NCc1csc(-c2ccccn2)n1 ZINC000336877555 1126814448 /nfs/dbraw/zinc/81/44/48/1126814448.db2.gz QETZEIKYBQFSFF-UHFFFAOYSA-N -1 0 341.392 3.524 20 0 EHADRM COc1cc(/C=C\C(=O)c2ccccc2Cl)ccc1OCC(=O)[O-] ZINC000211374291 1126875192 /nfs/dbraw/zinc/87/51/92/1126875192.db2.gz ZQQGDAMTXVHHFH-VURMDHGXSA-N -1 0 346.766 3.708 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCCC3(C)C)n2)c1 ZINC000176288615 1126909727 /nfs/dbraw/zinc/90/97/27/1126909727.db2.gz QKWDKHJRSWRQDG-UHFFFAOYSA-N -1 0 327.428 3.716 20 0 EHADRM O=S(=O)([N-]c1c[nH]nc1-c1ccccc1)c1ccccc1Cl ZINC000179095309 1127044410 /nfs/dbraw/zinc/04/44/10/1127044410.db2.gz RZBFEXFLECESSY-UHFFFAOYSA-N -1 0 333.800 3.531 20 0 EHADRM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000179417586 1127062707 /nfs/dbraw/zinc/06/27/07/1127062707.db2.gz ITYGIAUFJUOMTH-BPLDGKMQSA-N -1 0 341.411 3.575 20 0 EHADRM CC(C)(NC(=O)c1cc(F)c(F)c([O-])c1F)c1ccc(F)cc1 ZINC000185852663 1127160529 /nfs/dbraw/zinc/16/05/29/1127160529.db2.gz JXIXVXNGAJQBCY-UHFFFAOYSA-N -1 0 327.277 3.614 20 0 EHADRM O=S(=O)([N-]c1c(-c2ccccc2)ncn1C1CC1)c1ccccc1 ZINC000623776222 1127163360 /nfs/dbraw/zinc/16/33/60/1127163360.db2.gz JCBAQUHNADHXOX-UHFFFAOYSA-N -1 0 339.420 3.686 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2ccc3ccccc3c2)C1 ZINC000325109692 1127333426 /nfs/dbraw/zinc/33/34/26/1127333426.db2.gz ZKYMSNAHCSNWNV-LJQANCHMSA-N -1 0 326.396 3.949 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3cnc(C)o3)cc2)c(C)o1 ZINC000182776788 1127347383 /nfs/dbraw/zinc/34/73/83/1127347383.db2.gz LUJVVAKDJFMUHS-UHFFFAOYSA-N -1 0 332.381 3.661 20 0 EHADRM CC(C)[C@H]([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)c1ccccc1Cl ZINC000184492930 1127406669 /nfs/dbraw/zinc/40/66/69/1127406669.db2.gz WWDSAZDMKWGKEO-CABZTGNLSA-N -1 0 343.798 3.907 20 0 EHADRM CCC[C@@]1(COC)CCCN1C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000194456142 1127460220 /nfs/dbraw/zinc/46/02/20/1127460220.db2.gz ZHVVPDABWDKVEO-INIZCTEOSA-N -1 0 329.799 3.606 20 0 EHADRM CO[C@H](CNC(=O)c1c(O)cccc1Cl)c1ccccc1Cl ZINC000764341841 1127483244 /nfs/dbraw/zinc/48/32/44/1127483244.db2.gz LNYPKSYMERTEKY-CQSZACIVSA-N -1 0 340.206 3.817 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)Nc1cccc(Oc2ccccc2)c1)C1CC1 ZINC000383165881 1127530941 /nfs/dbraw/zinc/53/09/41/1127530941.db2.gz OSJKAYLCJIVPQX-CYBMUJFWSA-N -1 0 340.379 3.948 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)Nc1ccc(Oc2ccccc2)cc1)C1CC1 ZINC000383183275 1127531566 /nfs/dbraw/zinc/53/15/66/1127531566.db2.gz RZPHXGJGJKWUET-ZDUSSCGKSA-N -1 0 340.379 3.948 20 0 EHADRM COc1cc(F)cc(OC)c1/C=C\c1ncc(C(=O)[O-])c(C(C)C)n1 ZINC000630951506 1127744257 /nfs/dbraw/zinc/74/42/57/1127744257.db2.gz LDROWSOBQSLJKC-WAYWQWQTSA-N -1 0 346.358 3.625 20 0 EHADRM COCc1ccc(CSc2n[n-]c(=NCc3ccco3)s2)cc1 ZINC000338533093 1127778694 /nfs/dbraw/zinc/77/86/94/1127778694.db2.gz IQJYZUBKWVWVLC-UHFFFAOYSA-N -1 0 347.465 3.604 20 0 EHADRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1OC(F)F ZINC000077688373 1127876855 /nfs/dbraw/zinc/87/68/55/1127876855.db2.gz JDYWTHWLLYSDTR-UHFFFAOYSA-N -1 0 331.315 3.536 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1cccc(OC[C@H]2CCCO2)c1 ZINC000172356877 1127910832 /nfs/dbraw/zinc/91/08/32/1127910832.db2.gz RCJXNWKSIUTXPH-CQSZACIVSA-N -1 0 347.798 3.856 20 0 EHADRM CCCc1nc(=NC(=O)c2sc3ccc(F)cc3c2C)s[n-]1 ZINC000338642366 1127967040 /nfs/dbraw/zinc/96/70/40/1127967040.db2.gz QYFVVKJGZYUREW-UHFFFAOYSA-N -1 0 335.429 3.827 20 0 EHADRM O=C([O-])[C@@H](CC1CC1)NC(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000347512785 1128028075 /nfs/dbraw/zinc/02/80/75/1128028075.db2.gz GSENCRWLQPMGGG-CQSZACIVSA-N -1 0 344.238 3.686 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc(F)c(C(F)(F)F)c2)CCCC1 ZINC000060417570 1128100738 /nfs/dbraw/zinc/10/07/38/1128100738.db2.gz KDCHRPZOKBNUMD-UHFFFAOYSA-N -1 0 333.281 3.818 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c2n[nH]cc21 ZINC000063635471 1128149672 /nfs/dbraw/zinc/14/96/72/1128149672.db2.gz YDECDLHBSJDMCD-UHFFFAOYSA-N -1 0 337.404 3.825 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnc(C(C)(C)C)nc2)cc1Cl ZINC000063850035 1128159076 /nfs/dbraw/zinc/15/90/76/1128159076.db2.gz XPWMCEZDXAOZSQ-UHFFFAOYSA-N -1 0 339.848 3.537 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cc(C(F)(F)F)ccc2F)CCCC1 ZINC000067946029 1128254597 /nfs/dbraw/zinc/25/45/97/1128254597.db2.gz YPJKCSKOXSDELT-UHFFFAOYSA-N -1 0 333.281 3.818 20 0 EHADRM CCC[C@](C)(NC(=O)Nc1ccc(C)c(Br)c1)C(=O)[O-] ZINC000109437654 1128202363 /nfs/dbraw/zinc/20/23/63/1128202363.db2.gz KWMRTAITUPGXIE-AWEZNQCLSA-N -1 0 343.221 3.522 20 0 EHADRM Cc1cnc(-c2cccc(NC(=O)c3cc(=O)c4ccccc4[n-]3)c2)o1 ZINC000066857645 1128228766 /nfs/dbraw/zinc/22/87/66/1128228766.db2.gz WEYWUXOULPEMSR-UHFFFAOYSA-N -1 0 345.358 3.744 20 0 EHADRM O=C(Nc1ccc(-c2nccs2)cc1)c1cc(=O)c2ccccc2[n-]1 ZINC000067181795 1128236557 /nfs/dbraw/zinc/23/65/57/1128236557.db2.gz SRIQBPLYVIUFKC-UHFFFAOYSA-N -1 0 347.399 3.904 20 0 EHADRM CC[C@@H](CCc1ccccc1)N=c1nc(C2CCOCC2)[n-]s1 ZINC000624517609 1128384086 /nfs/dbraw/zinc/38/40/86/1128384086.db2.gz HENFGAIDCKJHHF-INIZCTEOSA-N -1 0 331.485 3.677 20 0 EHADRM O=C([O-])/C=C/c1cnc(/C=C/c2cc3c(c(Cl)c2)OCO3)s1 ZINC000751041693 1128433731 /nfs/dbraw/zinc/43/37/31/1128433731.db2.gz ZSQJZUFVDBQILO-ZPUQHVIOSA-N -1 0 335.768 3.793 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000054500289 1128476232 /nfs/dbraw/zinc/47/62/32/1128476232.db2.gz MXDOXPAELPCCHR-PMPSAXMXSA-N -1 0 333.815 3.574 20 0 EHADRM CCOc1ccc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)c(C)c1 ZINC000055151001 1128506652 /nfs/dbraw/zinc/50/66/52/1128506652.db2.gz KILMPNOZPSGTDC-INIZCTEOSA-N -1 0 327.380 3.591 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2nn(-c3ccccc3)cc2C)s1 ZINC000106724343 1128508927 /nfs/dbraw/zinc/50/89/27/1128508927.db2.gz CLQJRUYCKCSSGZ-UHFFFAOYSA-N -1 0 347.465 3.605 20 0 EHADRM Cc1cccc([C@@H](C)CNC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000655869926 1128514875 /nfs/dbraw/zinc/51/48/75/1128514875.db2.gz SOGUMVQKZYRAQK-NXNVCVFFSA-N -1 0 346.471 3.533 20 0 EHADRM O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1c(O)cccc1Cl ZINC000765843961 1128546932 /nfs/dbraw/zinc/54/69/32/1128546932.db2.gz UQCQMYRLPKMAEZ-CZUORRHYSA-N -1 0 331.799 3.696 20 0 EHADRM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1ccc(C(F)(F)F)cc1 ZINC000057753403 1128664028 /nfs/dbraw/zinc/66/40/28/1128664028.db2.gz JBHQIXSNFIDNKK-UHFFFAOYSA-N -1 0 349.268 3.713 20 0 EHADRM C[C@]12CC3CC(C(=O)NC[C@@H](CC4CC4)C(=O)[O-])(C1)C[C@@](C)(C3)C2 ZINC000405330507 1128715813 /nfs/dbraw/zinc/71/58/13/1128715813.db2.gz WPWXGFFFWRADFI-SYQJFKEFSA-N -1 0 333.472 3.600 20 0 EHADRM C[C@@H](OCC1CC1)C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000677802405 1128852565 /nfs/dbraw/zinc/85/25/65/1128852565.db2.gz QQXDRWGYTVAIKI-SSDOTTSWSA-N -1 0 348.624 3.562 20 0 EHADRM COc1ccccc1[C@H](C)N(C)c1nc[n-]c2nc(=S)sc1-2 ZINC001167110664 1120034029 /nfs/dbraw/zinc/03/40/29/1120034029.db2.gz ZHUVSBYHIXBVRG-VIFPVBQESA-N -1 0 332.454 3.581 20 0 EHADRM O=C(N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1)c1c(O)cccc1O ZINC001648849485 1120053547 /nfs/dbraw/zinc/05/35/47/1120053547.db2.gz OVERISWICGOHSF-GXTWGEPZSA-N -1 0 331.799 3.817 20 0 EHADRM C[C@H](NS(=O)(=O)c1ccccc1[O-])c1ccc(Cl)cc1Cl ZINC000212104203 1120136674 /nfs/dbraw/zinc/13/66/74/1120136674.db2.gz VSOBAFIBIOCPKH-VIFPVBQESA-N -1 0 346.235 3.739 20 0 EHADRM O=C([O-])c1cc(Br)cc(NC[C@@H]2Cc3ccccc3O2)c1 ZINC000227669419 1120160717 /nfs/dbraw/zinc/16/07/17/1120160717.db2.gz TUNYBIINESLBKX-AWEZNQCLSA-N -1 0 348.196 3.563 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2c(C)cccc2F)c2cccnc12 ZINC000481849069 1120348631 /nfs/dbraw/zinc/34/86/31/1120348631.db2.gz QCVNKWZNAUQBFL-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM CC[C@@H](NCc1ccc(Cl)cc1Cl)c1nc(C(=O)[O-])c[nH]1 ZINC000904065898 1120351596 /nfs/dbraw/zinc/35/15/96/1120351596.db2.gz VVJDXGOTPYJPLX-LLVKDONJSA-N -1 0 328.199 3.656 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cn2)cc1Cl ZINC000185614838 1120421498 /nfs/dbraw/zinc/42/14/98/1120421498.db2.gz XEERJGZNPMECKW-UHFFFAOYSA-N -1 0 349.264 3.911 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc2oc(C3CC3)nc2c1 ZINC000186940278 1120480969 /nfs/dbraw/zinc/48/09/69/1120480969.db2.gz RLXCBRUHNXDWIF-UHFFFAOYSA-N -1 0 346.383 3.954 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000324252668 1120512377 /nfs/dbraw/zinc/51/23/77/1120512377.db2.gz DZUWBMSWASKPAG-GUYCJALGSA-N -1 0 326.396 3.974 20 0 EHADRM Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000152990471 1120524363 /nfs/dbraw/zinc/52/43/63/1120524363.db2.gz IOMHASQKWJWQKS-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM COc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)c1cccs1 ZINC000189396215 1120582188 /nfs/dbraw/zinc/58/21/88/1120582188.db2.gz LFCPHVNAWFGYDT-UHFFFAOYSA-N -1 0 338.237 3.864 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cccc3ncccc32)c2cccnc12 ZINC000193126165 1120760060 /nfs/dbraw/zinc/76/00/60/1120760060.db2.gz SNHHQITVOZFEDE-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM CN(Cc1ccccc1Cl)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000193912129 1120807800 /nfs/dbraw/zinc/80/78/00/1120807800.db2.gz OFMMOSKEQUURGB-UHFFFAOYSA-N -1 0 329.705 3.735 20 0 EHADRM Cc1cnc(C(=O)Nc2ccccc2O[C@H](C)C(F)(F)F)c([O-])c1 ZINC000494797958 1120828040 /nfs/dbraw/zinc/82/80/40/1120828040.db2.gz XKGHDIFRSPXSCS-SNVBAGLBSA-N -1 0 340.301 3.678 20 0 EHADRM CCCS(=O)(=O)[N-]c1nc(-c2ccc(SC)cc2)cs1 ZINC000194663421 1120854149 /nfs/dbraw/zinc/85/41/49/1120854149.db2.gz YLBKOAUHNOXJQQ-UHFFFAOYSA-N -1 0 328.484 3.684 20 0 EHADRM COc1ccc(CNc2cc(Br)cc(C(=O)[O-])c2)cc1 ZINC000227668206 1120902363 /nfs/dbraw/zinc/90/23/63/1120902363.db2.gz NBFSAACQMKQCDH-UHFFFAOYSA-N -1 0 336.185 3.768 20 0 EHADRM COc1cc(CNC(=O)c2ccc([O-])c(Cl)c2)ccc1OC(C)C ZINC000914869013 1121022799 /nfs/dbraw/zinc/02/27/99/1121022799.db2.gz LVZZKYJGRTXUQY-UHFFFAOYSA-N -1 0 349.814 3.771 20 0 EHADRM CC[C@@H](CC(=O)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl)C(C)C ZINC000762163300 1121137442 /nfs/dbraw/zinc/13/74/42/1121137442.db2.gz KRRBYKMBUFFGNL-NSHDSACASA-N -1 0 349.855 3.665 20 0 EHADRM CC[C@H](OC(=O)c1ccc([O-])c(Cl)c1)C(=O)c1ccc(OC)cc1 ZINC000762825273 1121449956 /nfs/dbraw/zinc/44/99/56/1121449956.db2.gz VPQZMKIKXQSTFC-INIZCTEOSA-N -1 0 348.782 3.873 20 0 EHADRM CC(C)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000236788795 1121463633 /nfs/dbraw/zinc/46/36/33/1121463633.db2.gz QXYZDXUDDYBFGE-OUCADQQQSA-N -1 0 344.238 3.712 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000237372394 1121482071 /nfs/dbraw/zinc/48/20/71/1121482071.db2.gz JEOBNRSTNWBAHB-QAPCUYQASA-N -1 0 331.456 3.653 20 0 EHADRM Cc1cccc(OCCCC(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC000237707150 1121492463 /nfs/dbraw/zinc/49/24/63/1121492463.db2.gz STGULLYJEPZQFH-UHFFFAOYSA-N -1 0 327.380 3.799 20 0 EHADRM Cc1cc(NC(=O)CSc2ccc3c(c2)CCC3)ccc1C(=O)[O-] ZINC000237806395 1121494800 /nfs/dbraw/zinc/49/48/00/1121494800.db2.gz POHSEVNSOFKVNT-UHFFFAOYSA-N -1 0 341.432 3.913 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cccc(-c3cnco3)c2)CCCCC1 ZINC000324406710 1121495964 /nfs/dbraw/zinc/49/59/64/1121495964.db2.gz UQFNGGGANONCHL-UHFFFAOYSA-N -1 0 328.368 3.705 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)CCSc2ccc(Cl)cc2)CC1 ZINC000316385449 1121542499 /nfs/dbraw/zinc/54/24/99/1121542499.db2.gz JYJMZBKQUPFAHH-UHFFFAOYSA-N -1 0 341.860 3.536 20 0 EHADRM CCN(C)[C@H](C(=O)Nc1ccc2[n-]c(=S)oc2c1)c1ccccc1 ZINC000762964858 1121617187 /nfs/dbraw/zinc/61/71/87/1121617187.db2.gz QGLSEEHNXCHFSY-INIZCTEOSA-N -1 0 341.436 3.748 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)Cc2cccc(OC(F)F)c2)c1 ZINC000436647687 1121813813 /nfs/dbraw/zinc/81/38/13/1121813813.db2.gz RIHJXVKJWPKEGV-UHFFFAOYSA-N -1 0 349.333 3.768 20 0 EHADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N(CC(C)C)c1ccccc1 ZINC000326434191 1121942840 /nfs/dbraw/zinc/94/28/40/1121942840.db2.gz SJYFJSKMMCJIMG-UHFFFAOYSA-N -1 0 347.436 3.545 20 0 EHADRM O=C([O-])c1cn(CC(=O)Nc2ccc(Cl)c(F)c2)c2ccccc12 ZINC000916404193 1122143991 /nfs/dbraw/zinc/14/39/91/1122143991.db2.gz MUBRSDNTXRGBDY-UHFFFAOYSA-N -1 0 346.745 3.771 20 0 EHADRM COc1ccc(CC(=O)Nc2ccc(O)c(C(F)(F)F)c2)cc1 ZINC000125389358 1122315247 /nfs/dbraw/zinc/31/52/47/1122315247.db2.gz UZIQHAXYZKLRGK-UHFFFAOYSA-N -1 0 325.286 3.601 20 0 EHADRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccccc1Cl)CC(C)(C)C ZINC000916800261 1122355531 /nfs/dbraw/zinc/35/55/31/1122355531.db2.gz QYZDFHXVQJYXJG-NSHDSACASA-N -1 0 331.865 3.607 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N(C)[C@@H](c2ccccc2)C(C)C)s1 ZINC000497492171 1122570212 /nfs/dbraw/zinc/57/02/12/1122570212.db2.gz GEASEPCJLOLTQV-OAHLLOKOSA-N -1 0 332.473 3.774 20 0 EHADRM c1ccc(-c2n[n-]c(=NCCc3nc4c(s3)CCCC4)s2)cc1 ZINC000497542475 1122586060 /nfs/dbraw/zinc/58/60/60/1122586060.db2.gz PSCFRHGCHZALFB-UHFFFAOYSA-N -1 0 342.493 3.617 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C(C)C)c(F)c2)s1 ZINC000917746689 1122676255 /nfs/dbraw/zinc/67/62/55/1122676255.db2.gz HYOOMUJMDYCZTD-UHFFFAOYSA-N -1 0 342.461 3.841 20 0 EHADRM Cc1ccc(/C=C\S(=O)(=O)[N-]c2nc3c(s2)CCCC3)cc1 ZINC000917869275 1122700418 /nfs/dbraw/zinc/70/04/18/1122700418.db2.gz JVUDQWGHAZSBBH-KHPPLWFESA-N -1 0 334.466 3.743 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)c1 ZINC000498019804 1122735463 /nfs/dbraw/zinc/73/54/63/1122735463.db2.gz FFSHXTVESICPGR-UHFFFAOYSA-N -1 0 335.734 3.867 20 0 EHADRM CC[C@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)C(C)(C)c1ccccc1 ZINC000262707555 1122744556 /nfs/dbraw/zinc/74/45/56/1122744556.db2.gz KAONGDOFXOEFGR-ZOBUZTSGSA-N -1 0 331.456 3.750 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1n[nH]c(-c2ccco2)n1 ZINC000129834770 1122850212 /nfs/dbraw/zinc/85/02/12/1122850212.db2.gz QMDIYEORIKSSSQ-JTQLQIEISA-N -1 0 330.775 3.535 20 0 EHADRM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(n2)CCCC3=O)cc1 ZINC000556277390 1122914442 /nfs/dbraw/zinc/91/44/42/1122914442.db2.gz GXBIHTLKPKIWDF-UHFFFAOYSA-N -1 0 344.436 3.525 20 0 EHADRM CCc1ccc(C(=O)[O-])cc1NCc1cn(C)nc1-c1ccccc1 ZINC000556321881 1122925801 /nfs/dbraw/zinc/92/58/01/1122925801.db2.gz QZMXIAAOEBDQCQ-UHFFFAOYSA-N -1 0 335.407 3.960 20 0 EHADRM COc1cc(C(=O)[O-])cc(NCc2ccc(Cl)c(F)c2)c1OC ZINC000556322446 1122928586 /nfs/dbraw/zinc/92/85/86/1122928586.db2.gz YMMCVFMJOINOOM-UHFFFAOYSA-N -1 0 339.750 3.807 20 0 EHADRM Cc1nc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3F)cc2o1 ZINC000556346827 1122938294 /nfs/dbraw/zinc/93/82/94/1122938294.db2.gz PODIALDHBWBKEJ-UHFFFAOYSA-N -1 0 340.763 3.730 20 0 EHADRM Cc1c(S(=O)(=O)[N-]c2ccc(C)c(O)c2C)c2ccccc2n1C ZINC000556352006 1122942520 /nfs/dbraw/zinc/94/25/20/1122942520.db2.gz JUBVMGHVYLRZEM-UHFFFAOYSA-N -1 0 344.436 3.610 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cc1OCC(F)(F)F)c1ccccc1 ZINC000071081653 1122953367 /nfs/dbraw/zinc/95/33/67/1122953367.db2.gz JEBFPXMALYVNAN-UHFFFAOYSA-N -1 0 349.305 3.568 20 0 EHADRM O=C(Nc1cccc(OCc2cccnc2)c1)c1c([O-])cccc1F ZINC000131706192 1123169678 /nfs/dbraw/zinc/16/96/78/1123169678.db2.gz LLTYQFUTEXJFBV-UHFFFAOYSA-N -1 0 338.338 3.758 20 0 EHADRM CC[C@H](C)CN(C)C(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000072913431 1123176380 /nfs/dbraw/zinc/17/63/80/1123176380.db2.gz IQYRGXXHDPEFLK-QMMMGPOBSA-N -1 0 334.641 3.926 20 0 EHADRM COc1c2ccccc2[nH]c1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000556970328 1123245780 /nfs/dbraw/zinc/24/57/80/1123245780.db2.gz TXHWDUGVQIOWHR-UHFFFAOYSA-N -1 0 334.734 3.927 20 0 EHADRM CCSCc1nc(=O)c2sc(-c3ccc4c(c3)OCO4)cc2[n-]1 ZINC000543020154 1129112471 /nfs/dbraw/zinc/11/24/71/1129112471.db2.gz MOZRFNRJJISTEU-UHFFFAOYSA-N -1 0 346.433 3.633 20 0 EHADRM CCCCC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)CCC ZINC000920447810 1123370486 /nfs/dbraw/zinc/37/04/86/1123370486.db2.gz YUIABDDPKMRAFU-AWEZNQCLSA-N -1 0 340.489 3.537 20 0 EHADRM CC(C)CN(C(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C1CCCC1 ZINC000499630893 1129118734 /nfs/dbraw/zinc/11/87/34/1129118734.db2.gz KJCMEGGLPCWDOT-UHFFFAOYSA-N -1 0 345.418 3.758 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@@H](C(C)C)CC2)cc(C)c1OCC(=O)[O-] ZINC000236795422 1123467830 /nfs/dbraw/zinc/46/78/30/1123467830.db2.gz NSENDVKKVZWWDI-MRXNPFEDSA-N -1 0 347.455 3.665 20 0 EHADRM O=C(Nc1ncc(Cc2ccccc2)s1)c1c([O-])cc(F)cc1F ZINC000066042993 1129125640 /nfs/dbraw/zinc/12/56/40/1129125640.db2.gz MTCKUJCKHJCVGF-UHFFFAOYSA-N -1 0 346.358 3.970 20 0 EHADRM CC(C)CC(=O)Nc1ccc(NC(=O)c2c([O-])cc(F)cc2F)cc1 ZINC000066044075 1129125676 /nfs/dbraw/zinc/12/56/76/1129125676.db2.gz OVBYKPQLXOMTGR-UHFFFAOYSA-N -1 0 348.349 3.907 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2cc3ccccc3o2)cc1C ZINC000134774686 1123552739 /nfs/dbraw/zinc/55/27/39/1123552739.db2.gz RMHFHVKNPQYXRX-UHFFFAOYSA-N -1 0 329.377 3.745 20 0 EHADRM Cc1ccc(C(C)(C)C)cc1S([O-])=CC(=O)N1CCCCCC1 ZINC000609359881 1123562606 /nfs/dbraw/zinc/56/26/06/1123562606.db2.gz WIPWUVVHEVUXRG-HSZRJFAPSA-N -1 0 335.513 3.803 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2)s1 ZINC000077702186 1123574795 /nfs/dbraw/zinc/57/47/95/1123574795.db2.gz DZMUGXCUBATIIO-UHFFFAOYSA-N -1 0 336.482 3.712 20 0 EHADRM CC(C)Cc1nc(=N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)s[n-]1 ZINC000543032857 1129132466 /nfs/dbraw/zinc/13/24/66/1129132466.db2.gz YFUXPQBMRVAEAM-LSDHHAIUSA-N -1 0 335.448 3.630 20 0 EHADRM C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)C[C@@]1(C)C(=O)[O-] ZINC000564334984 1123616574 /nfs/dbraw/zinc/61/65/74/1123616574.db2.gz IVXRVZWTPIPWMS-BQSVUJTJSA-N -1 0 337.419 3.513 20 0 EHADRM O=S(=O)(Cc1ccccc1)[N-]c1nc(Cc2ccccc2)cs1 ZINC000135553319 1123627430 /nfs/dbraw/zinc/62/74/30/1123627430.db2.gz VPUZAISTHBGWNF-UHFFFAOYSA-N -1 0 344.461 3.676 20 0 EHADRM C[C@H](Sc1n[n-]c(=Nc2ccccc2)s1)C(=O)OC(C)(C)C ZINC000609960794 1123697529 /nfs/dbraw/zinc/69/75/29/1123697529.db2.gz CVLGXQOTJLIBKA-JTQLQIEISA-N -1 0 337.470 3.526 20 0 EHADRM CC(=O)c1cnc(NC(=O)c2c([O-])cc(Cl)cc2Cl)s1 ZINC000080028696 1123735654 /nfs/dbraw/zinc/73/56/54/1123735654.db2.gz CFXPFDMWOFJSIE-UHFFFAOYSA-N -1 0 331.180 3.610 20 0 EHADRM Cc1ccccc1SCC(=O)N[C@H](CC(=O)[O-])c1ccccc1C ZINC000237575969 1123779038 /nfs/dbraw/zinc/77/90/38/1123779038.db2.gz FMNHROKBGUOFRM-MRXNPFEDSA-N -1 0 343.448 3.728 20 0 EHADRM Cc1cc(C(=O)NC(C)(C)CC(C)(C)C)cc(C)c1OCC(=O)[O-] ZINC000237577363 1123780373 /nfs/dbraw/zinc/78/03/73/1123780373.db2.gz BDEFFARGFVXOQC-UHFFFAOYSA-N -1 0 335.444 3.711 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)Nc1ccc(F)cc1F)C1CCCCC1 ZINC000237615010 1123790370 /nfs/dbraw/zinc/79/03/70/1123790370.db2.gz YXNBLGXNKKCXNA-QGZVFWFLSA-N -1 0 325.355 3.965 20 0 EHADRM Cc1ccccc1C1(C(=O)NCCCCCC(=O)[O-])CCCCC1 ZINC000237687211 1123813147 /nfs/dbraw/zinc/81/31/47/1123813147.db2.gz AHZUSYSUMYWXQX-UHFFFAOYSA-N -1 0 331.456 3.958 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2cc(C(=O)[O-])ccc2F)cc1C ZINC000237839498 1123877637 /nfs/dbraw/zinc/87/76/37/1123877637.db2.gz ISSUZLBOUFUJGW-UHFFFAOYSA-N -1 0 343.354 3.742 20 0 EHADRM Cc1ccc2oc(C(=O)N3[C@H](C(=O)[O-])C[C@H]4CCCC[C@@H]43)cc2c1 ZINC000237835434 1123881175 /nfs/dbraw/zinc/88/11/75/1123881175.db2.gz GDTSLQOFRHDZEW-SNPRPXQTSA-N -1 0 327.380 3.599 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])c1 ZINC000263475758 1123882953 /nfs/dbraw/zinc/88/29/53/1123882953.db2.gz SSTMHIDBCUICHO-RISCZKNCSA-N -1 0 341.860 3.825 20 0 EHADRM O=C(c1cnn(Cc2ccccc2Cl)c1)c1cc(F)ccc1[O-] ZINC000616022629 1123926367 /nfs/dbraw/zinc/92/63/67/1123926367.db2.gz JKZJMOKPDBINDV-UHFFFAOYSA-N -1 0 330.746 3.661 20 0 EHADRM CSc1cc(C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])c(Cl)cc1Cl ZINC000263491279 1123952803 /nfs/dbraw/zinc/95/28/03/1123952803.db2.gz WVDAUKGENBVIQL-RQJHMYQMSA-N -1 0 336.240 3.554 20 0 EHADRM CSc1cc(C(=O)N[C@H](C)[C@@H](C)C(=O)[O-])c(Cl)cc1Cl ZINC000263491275 1123953037 /nfs/dbraw/zinc/95/30/37/1123953037.db2.gz WVDAUKGENBVIQL-RNFRBKRXSA-N -1 0 336.240 3.554 20 0 EHADRM C[C@@H]1CCC(C)(C)N1C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000616165383 1123954736 /nfs/dbraw/zinc/95/47/36/1123954736.db2.gz JBTQMJOAUFBEKD-LLVKDONJSA-N -1 0 333.819 3.634 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2nc(Cl)ccc2Cl)c1 ZINC000180276644 1123975197 /nfs/dbraw/zinc/97/51/97/1123975197.db2.gz DRJFCDXVAKRVBQ-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000238101897 1123980018 /nfs/dbraw/zinc/98/00/18/1123980018.db2.gz USQQPUJSZPRZDQ-ZFWWWQNUSA-N -1 0 339.382 3.610 20 0 EHADRM CCc1c(C)sc(NC(=O)CCC(=O)c2ccccc2)c1C(=O)[O-] ZINC000263496990 1123985220 /nfs/dbraw/zinc/98/52/20/1123985220.db2.gz YCHMIJQQHRXZOB-UHFFFAOYSA-N -1 0 345.420 3.919 20 0 EHADRM CC1(C)C[C@H](c2ccccc2)N(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC000616424830 1123999788 /nfs/dbraw/zinc/99/97/88/1123999788.db2.gz MMJUJJILTLMQFP-CQSZACIVSA-N -1 0 337.379 3.542 20 0 EHADRM C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1)C(C)(C)C ZINC000734711773 1131269022 /nfs/dbraw/zinc/26/90/22/1131269022.db2.gz FGZFXDDVJOGMMZ-AWEZNQCLSA-N -1 0 345.464 3.841 20 0 EHADRM CC[C@@H](CN(CC)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccccc1 ZINC000263577627 1124661091 /nfs/dbraw/zinc/66/10/91/1124661091.db2.gz RQQBXNZBNIFOJP-SZMVWBNQSA-N -1 0 331.456 3.920 20 0 EHADRM CC(C)[C@H](NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000263583112 1124735051 /nfs/dbraw/zinc/73/50/51/1124735051.db2.gz ZLWKUVBRGSZIQX-RDBSUJKOSA-N -1 0 343.345 3.630 20 0 EHADRM CCOC(=O)c1nc(NC(=O)c2oc3ccc(Cl)cc3c2C)c[nH]1 ZINC000617873625 1124816809 /nfs/dbraw/zinc/81/68/09/1124816809.db2.gz GNTPSWVWWJCSSK-UHFFFAOYSA-N -1 0 347.758 3.547 20 0 EHADRM CCCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1cccc(C)c1 ZINC000735203609 1131316938 /nfs/dbraw/zinc/31/69/38/1131316938.db2.gz INUJFMWYSAAFDH-HNNXBMFYSA-N -1 0 325.474 3.797 20 0 EHADRM CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000181801537 1125043562 /nfs/dbraw/zinc/04/35/62/1125043562.db2.gz YYNXRGSMQCNASJ-UHFFFAOYSA-N -1 0 333.793 3.544 20 0 EHADRM CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1cc(C)sc1C ZINC000181801465 1125043597 /nfs/dbraw/zinc/04/35/97/1125043597.db2.gz RVCRBPFZLJCYTP-UHFFFAOYSA-N -1 0 327.402 3.507 20 0 EHADRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1cnc(Cl)c(C)c1 ZINC000735267079 1131327766 /nfs/dbraw/zinc/32/77/66/1131327766.db2.gz JWZYMSHQADRMFZ-UHFFFAOYSA-N -1 0 340.832 3.551 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc3ccccc32)cnc1Cl ZINC000735265881 1131328193 /nfs/dbraw/zinc/32/81/93/1131328193.db2.gz NKANWIQHUKTVCX-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM C[C@H](Sc1n[n-]c(=NCCc2ccccc2)s1)c1cccnc1 ZINC000618427651 1125082442 /nfs/dbraw/zinc/08/24/42/1125082442.db2.gz XCVWKSVWGYOMCV-ZDUSSCGKSA-N -1 0 342.493 3.863 20 0 EHADRM CC(C)[C@@H](c1ccccc1)N(C)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000478853005 1129280836 /nfs/dbraw/zinc/28/08/36/1129280836.db2.gz GTCAJVNSQLNWLX-KRWDZBQOSA-N -1 0 329.371 3.993 20 0 EHADRM CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000358602813 1129405239 /nfs/dbraw/zinc/40/52/39/1129405239.db2.gz COKZQJQNVFMXOJ-UHFFFAOYSA-N -1 0 335.762 3.840 20 0 EHADRM O=C(c1cccc(F)c1[O-])N1CCC(Cc2cc(F)ccc2F)CC1 ZINC001299274703 1129465203 /nfs/dbraw/zinc/46/52/03/1129465203.db2.gz XZPCMPVBOCJYDP-UHFFFAOYSA-N -1 0 349.352 3.904 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc(F)cc2OCC2CC2)CCCC1 ZINC000265861190 1129514365 /nfs/dbraw/zinc/51/43/65/1129514365.db2.gz KDERRQFWLMGAIF-UHFFFAOYSA-N -1 0 335.375 3.588 20 0 EHADRM Cc1cc(C(=O)N=c2[n-]nc(-c3ccccc3Cl)s2)ccc1O ZINC000499890681 1129558627 /nfs/dbraw/zinc/55/86/27/1129558627.db2.gz WKHKSHCARCXHNS-UHFFFAOYSA-N -1 0 345.811 3.547 20 0 EHADRM O=C(NC[C@H]1CCCc2ccccc21)c1ccc2[n-]c(=S)oc2c1 ZINC000735846899 1131384105 /nfs/dbraw/zinc/38/41/05/1131384105.db2.gz YGLXDJSXPQTIJV-CQSZACIVSA-N -1 0 338.432 3.966 20 0 EHADRM Cc1ccccc1[C@@]1(F)CCN(C(=O)c2cc(F)cc(F)c2[O-])C1 ZINC001626087276 1129681882 /nfs/dbraw/zinc/68/18/82/1129681882.db2.gz MIUMMIVTCGEOMK-GOSISDBHSA-N -1 0 335.325 3.690 20 0 EHADRM O=C(OCc1cc(-c2ccccc2)on1)c1c(F)cc([O-])cc1F ZINC000735950179 1131393746 /nfs/dbraw/zinc/39/37/46/1131393746.db2.gz LFXNPYWVFAHATN-UHFFFAOYSA-N -1 0 331.274 3.682 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cc(C)cc(C)c2OC)cc1 ZINC000509101464 1129747785 /nfs/dbraw/zinc/74/77/85/1129747785.db2.gz ZLIAVZGFWZKYHT-UHFFFAOYSA-N -1 0 335.425 3.512 20 0 EHADRM Cc1noc(C(F)F)c1C(=O)[N-]c1nnc(-c2ccsc2)s1 ZINC000673699632 1129799779 /nfs/dbraw/zinc/79/97/79/1129799779.db2.gz SYOTXJTWXZBZJL-UHFFFAOYSA-N -1 0 342.352 3.753 20 0 EHADRM Cc1nc(Cl)nc(Cl)c1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212511159 1129877411 /nfs/dbraw/zinc/87/74/11/1129877411.db2.gz VFMDKEQWNYBBBP-UHFFFAOYSA-N -1 0 334.109 3.812 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(F)nc2Br)c(F)c1F ZINC001212511257 1129879101 /nfs/dbraw/zinc/87/91/01/1129879101.db2.gz ZMHTXAXHSQKGAN-UHFFFAOYSA-N -1 0 347.090 3.703 20 0 EHADRM O=C(Nc1ccc2c(c1)OCCCO2)c1cc(F)cc(Cl)c1[O-] ZINC000673921681 1129906069 /nfs/dbraw/zinc/90/60/69/1129906069.db2.gz HEIDVQREKMCOEU-UHFFFAOYSA-N -1 0 337.734 3.598 20 0 EHADRM COc1ccccc1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000003100566 1129910498 /nfs/dbraw/zinc/91/04/98/1129910498.db2.gz BBVJMYYWXLRVIT-UHFFFAOYSA-N -1 0 332.208 3.803 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(OCC(F)(F)F)nc2)c(F)c1F ZINC001212511805 1129913276 /nfs/dbraw/zinc/91/32/76/1129913276.db2.gz GOEKOGBEAFFDMX-UHFFFAOYSA-N -1 0 348.227 3.743 20 0 EHADRM O=C([O-])c1ccc(Nc2cnc(Br)c(F)c2)c(F)c1F ZINC001212512461 1129921188 /nfs/dbraw/zinc/92/11/88/1129921188.db2.gz NKGNPVUGYOPFGC-UHFFFAOYSA-N -1 0 347.090 3.703 20 0 EHADRM COc1ccc2cc(Nc3ccc(C(=O)[O-])c(F)c3F)ccc2n1 ZINC001212514474 1129926504 /nfs/dbraw/zinc/92/65/04/1129926504.db2.gz UWFAZFNVXKHDQR-UHFFFAOYSA-N -1 0 330.290 3.963 20 0 EHADRM O=C([O-])c1ccc(Nc2cccc3c2C(=O)N(C2CC2)C3)c(F)c1F ZINC001212515630 1129929357 /nfs/dbraw/zinc/92/93/57/1129929357.db2.gz HBLJHSILPWZLOQ-UHFFFAOYSA-N -1 0 344.317 3.525 20 0 EHADRM COC(=O)[C@@H]1CCc2cc(Nc3ccc(C(=O)[O-])c(F)c3F)ccc21 ZINC001212515632 1129929473 /nfs/dbraw/zinc/92/94/73/1129929473.db2.gz HDMGBWFPLRXHAG-GFCCVEGCSA-N -1 0 347.317 3.609 20 0 EHADRM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1cc(C(C)C)[nH]n1 ZINC000509203386 1129970243 /nfs/dbraw/zinc/97/02/43/1129970243.db2.gz PZUGRXNPLBETEH-UHFFFAOYSA-N -1 0 347.362 3.661 20 0 EHADRM CCCc1cnc([N-]S(=O)(=O)c2cc(C)cc(C)c2OC)s1 ZINC000509218077 1129991118 /nfs/dbraw/zinc/99/11/18/1129991118.db2.gz DZVPHMGZVWTTCV-UHFFFAOYSA-N -1 0 340.470 3.522 20 0 EHADRM CC(C)(CNC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-])Cc1cccc(Cl)c1 ZINC000674901302 1130218731 /nfs/dbraw/zinc/21/87/31/1130218731.db2.gz GTOPQKHJXKYJFY-HZPDHXFCSA-N -1 0 349.858 3.692 20 0 EHADRM CC(C)CCc1n[n-]c(=NCc2cnn(-c3ccc(Cl)cc3)c2)o1 ZINC000347897699 1130299500 /nfs/dbraw/zinc/29/95/00/1130299500.db2.gz OEKMTYYNMFFPDD-UHFFFAOYSA-N -1 0 345.834 3.531 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccn([C@H](C)c3ccccc3)n2)cc1 ZINC000675285721 1130299508 /nfs/dbraw/zinc/29/95/08/1130299508.db2.gz XNWNLVOHQQEHNN-OAHLLOKOSA-N -1 0 341.436 3.602 20 0 EHADRM CC(C)Sc1ccccc1[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000675440921 1130376458 /nfs/dbraw/zinc/37/64/58/1130376458.db2.gz UBXHFWYBJAZAFN-UHFFFAOYSA-N -1 0 339.486 3.834 20 0 EHADRM Cc1ccnc(F)c1Nc1ccc(S(=O)(=O)[O-])c2ccccc12 ZINC001212558485 1130384707 /nfs/dbraw/zinc/38/47/07/1130384707.db2.gz NOPBTSNESXEQCI-UHFFFAOYSA-N -1 0 332.356 3.673 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)C1(C)C ZINC000675947064 1130508009 /nfs/dbraw/zinc/50/80/09/1130508009.db2.gz DXADLBTXGPPVDJ-BFYDXBDKSA-N -1 0 333.403 3.696 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)NCC3(C(=O)[O-])CCCC3)o2)cc1 ZINC000676023926 1130517965 /nfs/dbraw/zinc/51/79/65/1130517965.db2.gz VHVDXSUFTADWJO-UHFFFAOYSA-N -1 0 341.407 3.884 20 0 EHADRM Cc1ccc(C)c(OCCCCC(=O)N2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000676213555 1130549133 /nfs/dbraw/zinc/54/91/33/1130549133.db2.gz BRWWDHABFXODFH-QGZVFWFLSA-N -1 0 347.455 3.566 20 0 EHADRM CC(C)CCS(=O)(=O)[N-]C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000732511925 1130929390 /nfs/dbraw/zinc/92/93/90/1130929390.db2.gz KUNOJCAPVXCFCO-UHFFFAOYSA-N -1 0 347.436 3.585 20 0 EHADRM O=C(Nc1cc(-c2ccccc2F)no1)c1c([O-])cc(F)cc1F ZINC000732829251 1130960849 /nfs/dbraw/zinc/96/08/49/1130960849.db2.gz JKANPRGIVURJRN-UHFFFAOYSA-N -1 0 334.253 3.717 20 0 EHADRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cc(SC)ccc1Cl ZINC000732905435 1130972305 /nfs/dbraw/zinc/97/23/05/1130972305.db2.gz QDWKTJDSABBUPT-SNVBAGLBSA-N -1 0 349.905 3.558 20 0 EHADRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)CCCc1ccc(Cl)cc1 ZINC000732905521 1130972575 /nfs/dbraw/zinc/97/25/75/1130972575.db2.gz RXQJKTIIVLIFOT-CYBMUJFWSA-N -1 0 345.892 3.545 20 0 EHADRM O=C(c1c([O-])cc(F)cc1F)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000733002970 1130977186 /nfs/dbraw/zinc/97/71/86/1130977186.db2.gz QAEGCBXWZYGLME-AWEZNQCLSA-N -1 0 339.288 3.926 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)c(C)c1 ZINC000348033408 1131131940 /nfs/dbraw/zinc/13/19/40/1131131940.db2.gz YCRMSZUQTREFGN-UHFFFAOYSA-N -1 0 333.438 3.556 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000734079292 1131193831 /nfs/dbraw/zinc/19/38/31/1131193831.db2.gz BWKUFFPKJJVIQC-MRXNPFEDSA-N -1 0 337.485 3.797 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000734080748 1131193848 /nfs/dbraw/zinc/19/38/48/1131193848.db2.gz XOWUWLKOHXCEGT-ZDUSSCGKSA-N -1 0 343.876 3.751 20 0 EHADRM CC[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000734079290 1131194195 /nfs/dbraw/zinc/19/41/95/1131194195.db2.gz BWKUFFPKJJVIQC-INIZCTEOSA-N -1 0 337.485 3.797 20 0 EHADRM C[C@H](NC(=O)CC1(C(=O)[O-])CCCC1)c1nc2ccccc2s1 ZINC000734158264 1131205010 /nfs/dbraw/zinc/20/50/10/1131205010.db2.gz KTZXTYVARZUQBW-NSHDSACASA-N -1 0 332.425 3.509 20 0 EHADRM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)/C=C\c1ccccc1Cl ZINC000737355495 1131447612 /nfs/dbraw/zinc/44/76/12/1131447612.db2.gz SIUODIICEXIIOK-HHQWOOOKSA-N -1 0 349.839 3.560 20 0 EHADRM CC[C@H](NC(=O)c1n[n-]c2ccccc2c1=O)C(C)(C)c1ccccc1 ZINC000741701563 1131637335 /nfs/dbraw/zinc/63/73/35/1131637335.db2.gz LVFVXYQJUGQOIM-KRWDZBQOSA-N -1 0 349.434 3.822 20 0 EHADRM COc1ccc(Nc2ccc(C(C)(F)F)cc2)c(S(=O)(=O)[O-])c1 ZINC001212677492 1131818110 /nfs/dbraw/zinc/81/81/10/1131818110.db2.gz ZGPDGASKJYPOQU-UHFFFAOYSA-N -1 0 343.351 3.797 20 0 EHADRM CC(C)S(=O)(=O)[N-]C(=O)c1cc2sc3ccccc3c2s1 ZINC000743494582 1131933362 /nfs/dbraw/zinc/93/33/62/1131933362.db2.gz GCVXNQJWZDFCPB-UHFFFAOYSA-N -1 0 339.463 3.584 20 0 EHADRM CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000744004152 1132006206 /nfs/dbraw/zinc/00/62/06/1132006206.db2.gz DFEHLCOPJHKRHQ-LBPRGKRZSA-N -1 0 331.865 3.751 20 0 EHADRM C[C@@H](C(=O)[N-]S(=O)(=O)/C=C/c1ccccc1)c1cccc(Cl)c1 ZINC000744009477 1132007211 /nfs/dbraw/zinc/00/72/11/1132007211.db2.gz RNFASIASGOUAAA-OCHBPSSRSA-N -1 0 349.839 3.560 20 0 EHADRM COc1ccc(Nc2c(O)cc(S(=O)(=O)[O-])c3ccccc32)cc1 ZINC001173804682 1132152021 /nfs/dbraw/zinc/15/20/21/1132152021.db2.gz CYFKXGGKDJHRJP-UHFFFAOYSA-N -1 0 345.376 3.544 20 0 EHADRM COc1ccc(Nc2ccccc2C(F)(F)F)c(S(=O)(=O)[O-])c1 ZINC001173842705 1132153180 /nfs/dbraw/zinc/15/31/80/1132153180.db2.gz AVHBTIHQVJEHMH-UHFFFAOYSA-N -1 0 347.314 3.704 20 0 EHADRM CC(=O)c1cccc(Nc2cc(Cl)c(C)cc2S(=O)(=O)[O-])c1 ZINC001173901412 1132167766 /nfs/dbraw/zinc/16/77/66/1132167766.db2.gz DXZYFABNJOWBOX-UHFFFAOYSA-N -1 0 339.800 3.841 20 0 EHADRM COc1ccc(Nc2ccc(C(C)(C)C)cc2)c(S(=O)(=O)[O-])c1 ZINC001173880843 1132178475 /nfs/dbraw/zinc/17/84/75/1132178475.db2.gz SGZOIGMGEFBFJE-UHFFFAOYSA-N -1 0 335.425 3.983 20 0 EHADRM COc1ccc(F)cc1Nc1ccc2c(cccc2S(=O)(=O)[O-])c1 ZINC001173956610 1132183010 /nfs/dbraw/zinc/18/30/10/1132183010.db2.gz BRFJMZYZEHJFHH-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM Cc1cc(F)ccc1Nc1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1 ZINC001173967863 1132186829 /nfs/dbraw/zinc/18/68/29/1132186829.db2.gz HVNGBZZPGLJWGH-UHFFFAOYSA-N -1 0 347.367 3.983 20 0 EHADRM O=C(Nc1ccccc1)c1cccc(Nc2cc(=O)[n-]c(Cl)n2)c1 ZINC001174206174 1132284204 /nfs/dbraw/zinc/28/42/04/1132284204.db2.gz FOTJFNLBQCCKCL-UHFFFAOYSA-N -1 0 340.770 3.832 20 0 EHADRM COc1ccccc1-c1cc(Nc2cccc(/C=C/C(=O)[O-])c2)n(C)n1 ZINC001174494097 1132371060 /nfs/dbraw/zinc/37/10/60/1132371060.db2.gz ABGMBHXFAKCBLF-ZHACJKMWSA-N -1 0 349.390 3.937 20 0 EHADRM COc1ccc(Nc2cccc(/C=C/C(=O)[O-])c2)c(Br)n1 ZINC001174495670 1132372187 /nfs/dbraw/zinc/37/21/87/1132372187.db2.gz UOSDBNFNEGSFHK-VMPITWQZSA-N -1 0 349.184 3.694 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2ccc(N3CCOCC3)c(F)c2)c1 ZINC001174496645 1132372356 /nfs/dbraw/zinc/37/23/56/1132372356.db2.gz RFKKAUGPNIVONP-QPJJXVBHSA-N -1 0 342.370 3.504 20 0 EHADRM CC(=O)N1CC2(CC2)c2ccc(Nc3cccc(/C=C/C(=O)[O-])c3)cc21 ZINC001174496024 1132372441 /nfs/dbraw/zinc/37/24/41/1132372441.db2.gz AFKYHNXLSVROKH-VMPITWQZSA-N -1 0 348.402 3.926 20 0 EHADRM CCO[C@@H]1C[C@@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)C12CCCC2 ZINC000184460442 1132410548 /nfs/dbraw/zinc/41/05/48/1132410548.db2.gz MLIUSOUKGVHZFA-ZIAGYGMSSA-N -1 0 341.810 3.652 20 0 EHADRM COc1cc(Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)ccc1O ZINC001174544174 1132411438 /nfs/dbraw/zinc/41/14/38/1132411438.db2.gz IALVORXYEIWPSI-UHFFFAOYSA-N -1 0 345.376 3.544 20 0 EHADRM O=C(Nc1cc(F)c(F)c(F)c1F)c1ccc2[n-]c(=S)oc2c1 ZINC001174630960 1132420454 /nfs/dbraw/zinc/42/04/54/1132420454.db2.gz FKTUVYRPQAGAHF-UHFFFAOYSA-N -1 0 342.273 3.925 20 0 EHADRM CCOC(=O)c1cccc(Nc2ccc(C(=O)[O-])cc2OC)c1C ZINC001174676608 1132434074 /nfs/dbraw/zinc/43/40/74/1132434074.db2.gz OJYJFSJPQIYOLA-UHFFFAOYSA-N -1 0 329.352 3.622 20 0 EHADRM COC(=O)Cc1ccc(Cl)c(Nc2ccc(C(=O)[O-])c(OC)c2)c1 ZINC001174687593 1132436768 /nfs/dbraw/zinc/43/67/68/1132436768.db2.gz YYKKEDXDLIDHFM-UHFFFAOYSA-N -1 0 349.770 3.506 20 0 EHADRM Cc1oc(-c2cccs2)nc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000746337713 1132470169 /nfs/dbraw/zinc/47/01/69/1132470169.db2.gz LFJXUNOIHGUBNW-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM COC(=O)c1cc(Cl)nc(Cl)c1Nc1ccc(C(=O)[O-])s1 ZINC001174804973 1132478139 /nfs/dbraw/zinc/47/81/39/1132478139.db2.gz IBRXCMLPHGCSNR-UHFFFAOYSA-N -1 0 347.179 3.678 20 0 EHADRM O=C([O-])c1ccc(Nc2c(F)cccc2OC[C@@H]2CCCO2)s1 ZINC001174806606 1132478182 /nfs/dbraw/zinc/47/81/82/1132478182.db2.gz CEDXPRZBOUQCMG-JTQLQIEISA-N -1 0 337.372 3.887 20 0 EHADRM COCCn1nc(-c2ccccc2)cc1Nc1ccc(C(=O)[O-])s1 ZINC001174807041 1132478466 /nfs/dbraw/zinc/47/84/66/1132478466.db2.gz GTVVEGPMXHRNIA-UHFFFAOYSA-N -1 0 343.408 3.700 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(F)ccc2OC[C@@H]2CCCO2)s1 ZINC001174810171 1132479963 /nfs/dbraw/zinc/47/99/63/1132479963.db2.gz JBLMEIQDAVIFKT-NSHDSACASA-N -1 0 337.372 3.887 20 0 EHADRM COC(=O)c1cc(Nc2ccc(C(=O)[O-])s2)cc(C(F)(F)F)c1 ZINC001174809572 1132480365 /nfs/dbraw/zinc/48/03/65/1132480365.db2.gz KNKANJTWOBPSLU-UHFFFAOYSA-N -1 0 345.298 3.995 20 0 EHADRM O=C(C=Cc1cscn1)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000051896416 1132498682 /nfs/dbraw/zinc/49/86/82/1132498682.db2.gz PLLCPDRKJINIJX-SOFGYWHQSA-N -1 0 344.417 3.655 20 0 EHADRM Cc1ccc(/C=C/S(=O)(=O)[N-][C@@H](C(C)(C)C)C(F)(F)F)cc1 ZINC000746401253 1132510998 /nfs/dbraw/zinc/51/09/98/1132510998.db2.gz RTHDSXLZCPXUID-LXKVQUBZSA-N -1 0 335.391 3.862 20 0 EHADRM O=C([O-])Cc1ccc(Nc2cc(F)ccc2OC[C@H]2CCCO2)cc1 ZINC001174951781 1132516208 /nfs/dbraw/zinc/51/62/08/1132516208.db2.gz DKDRPGCXMHTYNU-MRXNPFEDSA-N -1 0 345.370 3.754 20 0 EHADRM COC(=O)c1oc2cc(F)ccc2c1Nc1ccc(CC(=O)[O-])cc1 ZINC001174951684 1132516242 /nfs/dbraw/zinc/51/62/42/1132516242.db2.gz LLIQSDIMLYSXFU-UHFFFAOYSA-N -1 0 343.310 3.729 20 0 EHADRM O=C([O-])Cc1ccc(Nc2ccnc(Cl)c2Br)cc1 ZINC001174950443 1132516773 /nfs/dbraw/zinc/51/67/73/1132516773.db2.gz XIVHWMGOTNPZRO-UHFFFAOYSA-N -1 0 341.592 3.868 20 0 EHADRM Nc1ccc(OC(F)(F)F)c(Nc2ccc(CC(=O)[O-])cc2)c1 ZINC001174954134 1132517525 /nfs/dbraw/zinc/51/75/25/1132517525.db2.gz DUMUEACPXACGLB-UHFFFAOYSA-N -1 0 326.274 3.538 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000391973535 1132519946 /nfs/dbraw/zinc/51/99/46/1132519946.db2.gz XSFUWZSUOWZWDM-GFCCVEGCSA-N -1 0 333.359 3.597 20 0 EHADRM COC(=O)c1cccc2nc(Nc3cc(C(=O)[O-])ccc3C)sc21 ZINC001174981221 1132534607 /nfs/dbraw/zinc/53/46/07/1132534607.db2.gz GGLGDOJLMMYTNN-UHFFFAOYSA-N -1 0 342.376 3.833 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1sc2c(c1C(N)=O)C[C@@H](C)CC2 ZINC001174983047 1132535325 /nfs/dbraw/zinc/53/53/25/1132535325.db2.gz CRDDWJVFOJCISW-VIFPVBQESA-N -1 0 344.436 3.722 20 0 EHADRM O=S(=O)([O-])c1cc(Cl)ccc1Nc1c(F)ccc(F)c1F ZINC001175032806 1132544227 /nfs/dbraw/zinc/54/42/27/1132544227.db2.gz RRDDXVLKNWRURQ-UHFFFAOYSA-N -1 0 337.706 3.748 20 0 EHADRM COCCCOc1ccc(F)cc1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175158463 1132570644 /nfs/dbraw/zinc/57/06/44/1132570644.db2.gz RRSPRQZTNHEOHJ-UHFFFAOYSA-N -1 0 337.322 3.822 20 0 EHADRM CC(C)Oc1cc(F)cc(Nc2cccc(S(=O)(=O)[O-])c2)c1 ZINC001175141486 1132579226 /nfs/dbraw/zinc/57/92/26/1132579226.db2.gz DDKCTZNDLKSYKA-UHFFFAOYSA-N -1 0 325.361 3.603 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2cccc(O[C@@H]3CCCCO3)c2)cc1 ZINC001175187602 1132593407 /nfs/dbraw/zinc/59/34/07/1132593407.db2.gz PPILOUCZAYLCMI-QGZVFWFLSA-N -1 0 349.408 3.582 20 0 EHADRM Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)c(F)c2)cc1 ZINC001175207416 1132594295 /nfs/dbraw/zinc/59/42/95/1132594295.db2.gz KDOPCMXPHWLKOE-UHFFFAOYSA-N -1 0 342.395 3.876 20 0 EHADRM COc1ccc(-c2cc(Nc3ccc(F)c(C(=O)[O-])c3)n(C)n2)cc1 ZINC001175216028 1132597696 /nfs/dbraw/zinc/59/76/96/1132597696.db2.gz XKGZMZPYUNYGDI-UHFFFAOYSA-N -1 0 341.342 3.677 20 0 EHADRM O=C([O-])c1cc(Nc2ccc(C(=O)N3CCCCC3)cc2)ccc1F ZINC001175218659 1132597713 /nfs/dbraw/zinc/59/77/13/1132597713.db2.gz JUCSPGQFYVNKAU-UHFFFAOYSA-N -1 0 342.370 3.894 20 0 EHADRM COc1cc(Nc2ccc(F)c(C(=O)[O-])c2)c(OC)cc1Cl ZINC001175218637 1132597781 /nfs/dbraw/zinc/59/77/81/1132597781.db2.gz JCFMTYLCXFPOBU-UHFFFAOYSA-N -1 0 325.723 3.938 20 0 EHADRM CCOC(=O)Cc1ccc(F)c(Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC001175221606 1132598838 /nfs/dbraw/zinc/59/88/38/1132598838.db2.gz JFQHMTUPXNXDQR-UHFFFAOYSA-N -1 0 335.306 3.512 20 0 EHADRM COc1ccccc1-n1nc(C)cc1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175219761 1132598919 /nfs/dbraw/zinc/59/89/19/1132598919.db2.gz FXNPTNMSLNBIRF-UHFFFAOYSA-N -1 0 341.342 3.770 20 0 EHADRM CC1(C)CC(=O)Nc2cc(Nc3ccc(F)c(C(=O)[O-])c3)ccc21 ZINC001175223530 1132599809 /nfs/dbraw/zinc/59/98/09/1132599809.db2.gz SJAKNBPSDSGOGP-UHFFFAOYSA-N -1 0 328.343 3.887 20 0 EHADRM CCOc1ccc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])c(F)c1 ZINC001175247938 1132608537 /nfs/dbraw/zinc/60/85/37/1132608537.db2.gz ALRFLHVTFJQPGW-UHFFFAOYSA-N -1 0 345.779 3.868 20 0 EHADRM O=C([O-])c1ccc(Nc2c[nH]c(=O)c(Br)c2)cc1Cl ZINC001175314594 1132634895 /nfs/dbraw/zinc/63/48/95/1132634895.db2.gz JASXKPWBFPXSQE-UHFFFAOYSA-N -1 0 343.564 3.645 20 0 EHADRM CCOC(=O)c1c(Nc2ccc(C(=O)[O-])c(Cl)c2)ccn1CC ZINC001175315674 1132635959 /nfs/dbraw/zinc/63/59/59/1132635959.db2.gz RSOTUJVNCDUZSJ-UHFFFAOYSA-N -1 0 336.775 3.780 20 0 EHADRM O=C([O-])c1ccc(Nc2cnc3cc(C4CC4)nn3c2)cc1Cl ZINC001175314775 1132636284 /nfs/dbraw/zinc/63/62/84/1132636284.db2.gz AVLLFTWELGMJHL-UHFFFAOYSA-N -1 0 328.759 3.702 20 0 EHADRM O=C([O-])c1cccc(Nc2cnc(Cl)c(Br)c2)c1 ZINC001175328936 1132640301 /nfs/dbraw/zinc/64/03/01/1132640301.db2.gz RLGHUNLREGKDLX-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM O=C([O-])c1cccc(Nc2cc(F)c(OC3CCOCC3)c(F)c2)c1 ZINC001175335052 1132642201 /nfs/dbraw/zinc/64/22/01/1132642201.db2.gz QWUSMYDHHSHXAS-UHFFFAOYSA-N -1 0 349.333 3.964 20 0 EHADRM COc1ncc(C)cc1Nc1ccc(S(=O)(=O)[O-])c2ccccc12 ZINC001175338077 1132643206 /nfs/dbraw/zinc/64/32/06/1132643206.db2.gz ZLUPAUABHYAFBO-UHFFFAOYSA-N -1 0 344.392 3.542 20 0 EHADRM COc1ncc(C)cc1Nc1cccc2cc(S(=O)(=O)[O-])ccc21 ZINC001175339305 1132644172 /nfs/dbraw/zinc/64/41/72/1132644172.db2.gz WIBCQPFXXNNNMD-UHFFFAOYSA-N -1 0 344.392 3.542 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccc(-n2[n-]c(=O)c3ccc(N)cc32)cc1 ZINC001175551553 1132708767 /nfs/dbraw/zinc/70/87/67/1132708767.db2.gz XKOIJQZOZMXJDW-UHFFFAOYSA-N -1 0 340.383 3.660 20 0 EHADRM O=S(=O)([O-])c1ccc2c(cccc2Nc2cccc3c[nH]nc32)c1 ZINC001175640196 1132720671 /nfs/dbraw/zinc/72/06/71/1132720671.db2.gz BGJZESTUXOBZFP-UHFFFAOYSA-N -1 0 339.376 3.706 20 0 EHADRM CCOc1ccc(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)cn1 ZINC001175741540 1132750133 /nfs/dbraw/zinc/75/01/33/1132750133.db2.gz CSWAJCFBSNTEEW-UHFFFAOYSA-N -1 0 344.392 3.624 20 0 EHADRM COC(=O)[N-]S(=O)(=O)c1ccc(Nc2cccc(C(C)C)c2)cc1 ZINC001175778440 1132762917 /nfs/dbraw/zinc/76/29/17/1132762917.db2.gz AUUITCQCYVTXHK-UHFFFAOYSA-N -1 0 348.424 3.598 20 0 EHADRM O=C([O-])c1cncc(Nc2c(F)cc(Br)cc2F)c1 ZINC001175841842 1132772588 /nfs/dbraw/zinc/77/25/88/1132772588.db2.gz ACUZVPPRSVDDHE-UHFFFAOYSA-N -1 0 329.100 3.564 20 0 EHADRM Cc1cnn(-c2cccc(Cl)c2)c1Nc1cncc(C(=O)[O-])c1 ZINC001175841078 1132772953 /nfs/dbraw/zinc/77/29/53/1132772953.db2.gz NNOZDBDEFKGNAV-UHFFFAOYSA-N -1 0 328.759 3.671 20 0 EHADRM COC(=O)c1cc2cccc(Nc3cncc(C(=O)[O-])c3)c2s1 ZINC001175843716 1132773656 /nfs/dbraw/zinc/77/36/56/1132773656.db2.gz XZWXJPBKZQANDN-UHFFFAOYSA-N -1 0 328.349 3.525 20 0 EHADRM O=C([O-])c1cncc(Nc2ccc(-c3cnco3)c(OC(F)F)c2)c1 ZINC001175846607 1132774367 /nfs/dbraw/zinc/77/43/67/1132774367.db2.gz IDKMIIVCZIOHMR-UHFFFAOYSA-N -1 0 347.277 3.780 20 0 EHADRM CCCn1nc(C)cc1Nc1cccc2cc(S(=O)(=O)[O-])ccc21 ZINC001175804494 1132775305 /nfs/dbraw/zinc/77/53/05/1132775305.db2.gz FGZOAWMXOPTRDW-UHFFFAOYSA-N -1 0 345.424 3.745 20 0 EHADRM CCCn1nc(C)cc1Nc1ccc(F)c(Br)c1[O-] ZINC001175805860 1132775352 /nfs/dbraw/zinc/77/53/52/1132775352.db2.gz PSTHCRPYHRDLDQ-UHFFFAOYSA-N -1 0 328.185 3.952 20 0 EHADRM CCc1ccc(-c2nc(CC(=O)[N-]OCC(F)(F)F)cs2)cc1 ZINC000766765007 1132807825 /nfs/dbraw/zinc/80/78/25/1132807825.db2.gz PHQMEIRNLDPITK-UHFFFAOYSA-N -1 0 344.358 3.525 20 0 EHADRM Nc1ccccc1N(c1cnn(CC(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001176270587 1132899827 /nfs/dbraw/zinc/89/98/27/1132899827.db2.gz CSMPMMRWKCLVJB-UHFFFAOYSA-N -1 0 342.786 3.673 20 0 EHADRM O=C([O-])Cn1cc(Nc2cccc(Oc3cc(F)cc(F)c3)c2)cn1 ZINC001176272497 1132899950 /nfs/dbraw/zinc/89/99/50/1132899950.db2.gz NNGCVQCNBUFIPO-UHFFFAOYSA-N -1 0 345.305 3.782 20 0 EHADRM CCOC(=O)CCc1ccc(Nc2csc(C(=O)[O-])c2)cc1F ZINC001176440190 1132929591 /nfs/dbraw/zinc/92/95/91/1132929591.db2.gz GPYOWQPXPYUMLM-UHFFFAOYSA-N -1 0 337.372 3.825 20 0 EHADRM CCOC(=O)Cc1ccc(Cl)c(Nc2csc(C(=O)[O-])c2)c1 ZINC001176440898 1132929963 /nfs/dbraw/zinc/92/99/63/1132929963.db2.gz RHJAIHJEPSHIHH-UHFFFAOYSA-N -1 0 339.800 3.949 20 0 EHADRM CCOC(=O)c1cnc2cc(Nc3csc(C(=O)[O-])c3)ccc2c1 ZINC001176441435 1132930201 /nfs/dbraw/zinc/93/02/01/1132930201.db2.gz ZXDZPVOGNOREJQ-UHFFFAOYSA-N -1 0 342.376 3.915 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3cc(-c4ccncc4)c[nH]c3=O)cc2)CC1 ZINC001176581397 1132960003 /nfs/dbraw/zinc/96/00/03/1132960003.db2.gz MOKFJXSKICZMBB-UHFFFAOYSA-N -1 0 347.374 3.709 20 0 EHADRM CCOC(=O)c1ccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cc1F ZINC001176588176 1132961400 /nfs/dbraw/zinc/96/14/00/1132961400.db2.gz JUXBVHHQFRDWSU-UHFFFAOYSA-N -1 0 343.354 3.862 20 0 EHADRM COc1cc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cc(OC)c1OC ZINC001176588279 1132961559 /nfs/dbraw/zinc/96/15/59/1132961559.db2.gz KXPFJGMXGIEUTD-UHFFFAOYSA-N -1 0 343.379 3.572 20 0 EHADRM CC(=O)c1cc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cc(C(C)=O)c1 ZINC001176588692 1132961748 /nfs/dbraw/zinc/96/17/48/1132961748.db2.gz AVWXOVGHZBOOSO-UHFFFAOYSA-N -1 0 337.375 3.952 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2csc(Br)n2)cc1 ZINC001176588306 1132961932 /nfs/dbraw/zinc/96/19/32/1132961932.db2.gz BDMFNUONNXMAHL-ZZXKWVIFSA-N -1 0 325.187 3.747 20 0 EHADRM CN1Cc2cc(Nc3ccc(C4(C(=O)[O-])CC4)cc3)ccc2NC1=O ZINC001176588554 1132962051 /nfs/dbraw/zinc/96/20/51/1132962051.db2.gz OJEFXGMHFOVSJD-UHFFFAOYSA-N -1 0 337.379 3.524 20 0 EHADRM Cc1cc(Nc2ccc(/C=C/C(=O)[O-])cc2)n(CC(F)(F)F)n1 ZINC001176590068 1132962355 /nfs/dbraw/zinc/96/23/55/1132962355.db2.gz QMPGJZLDYYDIRC-QPJJXVBHSA-N -1 0 325.290 3.595 20 0 EHADRM Cc1cc(Nc2ccc(/C=C/C(=O)[O-])cc2)cc(Br)n1 ZINC001176589808 1132962704 /nfs/dbraw/zinc/96/27/04/1132962704.db2.gz NYLSNJHZSUBYTI-QPJJXVBHSA-N -1 0 333.185 3.994 20 0 EHADRM COC(Cc1ccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cc1)OC ZINC001176589137 1132962742 /nfs/dbraw/zinc/96/27/42/1132962742.db2.gz ULUWTWDVFWBCPD-UHFFFAOYSA-N -1 0 341.407 3.708 20 0 EHADRM CNC(=O)c1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)cc1Cl ZINC001176595835 1132964013 /nfs/dbraw/zinc/96/40/13/1132964013.db2.gz PUTVNLLKYVLFAM-RUDMXATFSA-N -1 0 330.771 3.541 20 0 EHADRM CC(C)(C)c1ncc(/C=C/C(=O)Nc2ccc(C(=O)[O-])c(F)c2)s1 ZINC000767207070 1132967408 /nfs/dbraw/zinc/96/74/08/1132967408.db2.gz YCIAMYXQFHWHMN-FNORWQNLSA-N -1 0 348.399 3.930 20 0 EHADRM CCOC(=O)Cc1ccccc1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176597186 1132971693 /nfs/dbraw/zinc/97/16/93/1132971693.db2.gz OLOVTNISTSMMDP-FMIVXFBMSA-N -1 0 325.364 3.634 20 0 EHADRM CN1CCN(c2ccc(Nc3ccc(C(=O)[O-])cc3)cc2Cl)CC1 ZINC001176712375 1132995394 /nfs/dbraw/zinc/99/53/94/1132995394.db2.gz UIHOHXFNOJTIQU-UHFFFAOYSA-N -1 0 345.830 3.534 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)sc2c1)C1(c2ccccn2)CC1 ZINC001176803112 1133000609 /nfs/dbraw/zinc/00/06/09/1133000609.db2.gz KCMQFQXXBWZOFS-UHFFFAOYSA-N -1 0 327.434 3.650 20 0 EHADRM O=C(Nc1cscc1Cl)c1ncc(Br)cc1[O-] ZINC001176885112 1133007241 /nfs/dbraw/zinc/00/72/41/1133007241.db2.gz LFZKVNZJMWAQSB-UHFFFAOYSA-N -1 0 333.594 3.517 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000767560081 1133014708 /nfs/dbraw/zinc/01/47/08/1133014708.db2.gz CUSHHHCMAXGKIN-GFCCVEGCSA-N -1 0 343.876 3.670 20 0 EHADRM COC(=O)c1c(C)c(C)ccc1NC(=O)c1ccc(Cl)cc1[O-] ZINC001176993139 1133019473 /nfs/dbraw/zinc/01/94/73/1133019473.db2.gz CQFHHZIAIJKVLS-UHFFFAOYSA-N -1 0 333.771 3.701 20 0 EHADRM O=C(CCCCc1cccs1)Nc1cc(=O)n(-c2ccccc2)[nH]1 ZINC001177484476 1133068874 /nfs/dbraw/zinc/06/88/74/1133068874.db2.gz MQYKJDGESCGJKY-UHFFFAOYSA-N -1 0 341.436 3.991 20 0 EHADRM O=C(NCc1cncc(F)c1)c1cc(Cl)c2ccccc2c1[O-] ZINC001177545523 1133080099 /nfs/dbraw/zinc/08/00/99/1133080099.db2.gz SHQFMOTZTHCWIO-UHFFFAOYSA-N -1 0 330.746 3.663 20 0 EHADRM CC(=O)c1cc(F)c([O-])c(NC(=O)CCCOc2ccccc2F)c1 ZINC001178428752 1133168003 /nfs/dbraw/zinc/16/80/03/1133168003.db2.gz OPDJEBVGRGGSJV-UHFFFAOYSA-N -1 0 349.333 3.671 20 0 EHADRM CO[C@](C)(C(=O)Nc1nc(C)ccc1O)c1cccc2ccccc21 ZINC001178674445 1133189752 /nfs/dbraw/zinc/18/97/52/1133189752.db2.gz PFZXIPZHMIMWFJ-FQEVSTJZSA-N -1 0 336.391 3.749 20 0 EHADRM C[C@H](CC(=O)Nc1ccc2[n-]c(=S)oc2c1)C(=O)c1ccccc1 ZINC000769249137 1133251537 /nfs/dbraw/zinc/25/15/37/1133251537.db2.gz TWTPXGPSCGFQOS-LLVKDONJSA-N -1 0 340.404 3.964 20 0 EHADRM Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1c([O-])cccc1Cl ZINC000769702148 1133332960 /nfs/dbraw/zinc/33/29/60/1133332960.db2.gz SFEUOYHAGJNWJQ-UHFFFAOYSA-N -1 0 344.798 3.955 20 0 EHADRM CCN(CC)Cc1csc(NC(=O)c2c([O-])cccc2Cl)n1 ZINC000769717275 1133334540 /nfs/dbraw/zinc/33/45/40/1133334540.db2.gz UAHQCMKNPWNERT-UHFFFAOYSA-N -1 0 339.848 3.596 20 0 EHADRM COC(=O)Nc1cc(NC(=O)c2c([O-])cccc2Cl)ccc1F ZINC000769757583 1133338142 /nfs/dbraw/zinc/33/81/42/1133338142.db2.gz ABDHKVOGCGQWMT-UHFFFAOYSA-N -1 0 338.722 3.615 20 0 EHADRM C[C@]1(C(=O)Nc2ccccc2[S-])CC(c2ccc(F)cc2)=NO1 ZINC001180455294 1133377707 /nfs/dbraw/zinc/37/77/07/1133377707.db2.gz HVINUMHAPAWSSM-QGZVFWFLSA-N -1 0 330.384 3.636 20 0 EHADRM Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3[nH][nH]c(=O)c3c2)c1 ZINC001180512261 1133379818 /nfs/dbraw/zinc/37/98/18/1133379818.db2.gz PJQSYQZNRDWNNZ-UHFFFAOYSA-N -1 0 339.395 3.718 20 0 EHADRM CCOC(=O)C(C)(C)C(=O)Nc1cc(Cl)c(C)c(Cl)c1[O-] ZINC001181058121 1133444882 /nfs/dbraw/zinc/44/48/82/1133444882.db2.gz WMWMJTCGUADYOQ-UHFFFAOYSA-N -1 0 334.199 3.535 20 0 EHADRM CC(C)Oc1ccccc1CNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000746149723 1133490740 /nfs/dbraw/zinc/49/07/40/1133490740.db2.gz QPXJQJVCUHQDIJ-UHFFFAOYSA-N -1 0 342.420 3.834 20 0 EHADRM CCO[C@H]1C[C@@H](NC(=O)c2ccc3[n-]c(=S)oc3c2)C12CCCC2 ZINC000746328008 1133509711 /nfs/dbraw/zinc/50/97/11/1133509711.db2.gz PNSJYJGYSWPEFH-CABCVRRESA-N -1 0 346.452 3.584 20 0 EHADRM C[C@@H](NC(=O)c1ccc(Cl)cc1O)c1cc(F)ccc1N(C)C ZINC001181680812 1133513459 /nfs/dbraw/zinc/51/34/59/1133513459.db2.gz UEDAAKHWDJAWEB-SNVBAGLBSA-N -1 0 336.794 3.742 20 0 EHADRM CNc1cc(C(=O)Nc2cc(F)cc(Cl)c2[O-])cc(Cl)n1 ZINC000771504297 1133566055 /nfs/dbraw/zinc/56/60/55/1133566055.db2.gz KLCJPKMEQXGSDK-UHFFFAOYSA-N -1 0 330.146 3.527 20 0 EHADRM O=C(/C=C\c1ccnc(Cl)c1)Nc1cc(F)cc(Cl)c1[O-] ZINC000771504780 1133567282 /nfs/dbraw/zinc/56/72/82/1133567282.db2.gz MXIKXMWDZSGXEC-UPHRSURJSA-N -1 0 327.142 3.885 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1cccn1Cc1ccncc1 ZINC000771509213 1133568120 /nfs/dbraw/zinc/56/81/20/1133568120.db2.gz GRRNFSAZJUGNNM-UHFFFAOYSA-N -1 0 345.761 3.682 20 0 EHADRM O=C([N-]CCCSCc1ccc(Cl)c(F)c1)C(F)(F)F ZINC000785537164 1133718388 /nfs/dbraw/zinc/71/83/88/1133718388.db2.gz MSBMRNWYBKMGKC-UHFFFAOYSA-N -1 0 329.746 3.781 20 0 EHADRM Cc1ccc(N(C)C(=O)c2nn(-c3cccc(F)c3)cc2[O-])cc1C ZINC000785915398 1133769538 /nfs/dbraw/zinc/76/95/38/1133769538.db2.gz CHKOJEVGZIWNPI-UHFFFAOYSA-N -1 0 339.370 3.610 20 0 EHADRM CC(C)(C)C1CCN(NC(=O)c2ccc3oc(=S)[n-]c3c2)CC1 ZINC001183378031 1133801342 /nfs/dbraw/zinc/80/13/42/1133801342.db2.gz LZINVIQNHFGMIQ-UHFFFAOYSA-N -1 0 333.457 3.519 20 0 EHADRM O=C(Cc1ccc(Cl)cn1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000786411121 1133846181 /nfs/dbraw/zinc/84/61/81/1133846181.db2.gz HMITZOIWAQPUBR-UHFFFAOYSA-N -1 0 344.720 3.544 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])C(F)(F)C1(O)CCCC1 ZINC000786503625 1133865749 /nfs/dbraw/zinc/86/57/49/1133865749.db2.gz HCDFGMRLJXRNBZ-UHFFFAOYSA-N -1 0 340.153 3.578 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]C(=O)[C@H](C)CCC(C)(C)C ZINC000786643545 1133885784 /nfs/dbraw/zinc/88/57/84/1133885784.db2.gz ORSUXZUUBVUHMZ-CYBMUJFWSA-N -1 0 325.474 3.516 20 0 EHADRM CC(C)[C@H]([N-]S(=O)(=O)/C=C\c1cccc(Cl)c1)C(F)(F)F ZINC000786892672 1133917101 /nfs/dbraw/zinc/91/71/01/1133917101.db2.gz WVEPTXQIJDYCQD-DGMVEKRQSA-N -1 0 341.782 3.817 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2ccc(CC(C)C)cc2)cc1C(=O)[O-] ZINC001184698458 1133977002 /nfs/dbraw/zinc/97/70/02/1133977002.db2.gz GVVKMPKZDBLOGX-UHFFFAOYSA-N -1 0 347.436 3.693 20 0 EHADRM O=C([O-])CCOc1cccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)c1 ZINC000746682965 1134006266 /nfs/dbraw/zinc/00/62/66/1134006266.db2.gz GIPZUEXAMVFROH-OQLLNIDSSA-N -1 0 343.766 3.686 20 0 EHADRM Cc1noc(C)c1NC(=O)Nc1ccc(F)c(Br)c1[O-] ZINC001185182728 1134045049 /nfs/dbraw/zinc/04/50/49/1134045049.db2.gz BZDRFYBFWDYDPD-UHFFFAOYSA-N -1 0 344.140 3.543 20 0 EHADRM O=S(=O)(Nc1ccc(C(F)(F)F)c(F)c1F)c1ccsc1 ZINC001185390111 1134077521 /nfs/dbraw/zinc/07/75/21/1134077521.db2.gz CPQHPVZTXWDIPQ-UHFFFAOYSA-N -1 0 343.298 3.846 20 0 EHADRM COc1ccccc1[C@H]1C[C@@H]1C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000788090945 1134079324 /nfs/dbraw/zinc/07/93/24/1134079324.db2.gz WZJYJYILOPUISI-CVEARBPZSA-N -1 0 339.391 3.752 20 0 EHADRM O=C(C=C([O-])c1ccccc1Cl)N[C@@H]1CCc2c1c(F)ccc2F ZINC001185444155 1134087280 /nfs/dbraw/zinc/08/72/80/1134087280.db2.gz PPMDTICIGBLWEC-OAHLLOKOSA-N -1 0 349.764 3.995 20 0 EHADRM Cn1cc2c(cccc2[N-]S(=O)(=O)c2cc3ccccc3s2)n1 ZINC001185460801 1134091976 /nfs/dbraw/zinc/09/19/76/1134091976.db2.gz WYHPGMCWQFSRFZ-UHFFFAOYSA-N -1 0 343.433 3.589 20 0 EHADRM CN(C)c1cccc([N-]S(=O)(=O)c2cc3ccccc3s2)c1 ZINC001185462783 1134092137 /nfs/dbraw/zinc/09/21/37/1134092137.db2.gz NMZRBLRHLRALQV-UHFFFAOYSA-N -1 0 332.450 3.768 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc3ccc(=O)[nH]c32)ccc1Cl ZINC001185533099 1134104810 /nfs/dbraw/zinc/10/48/10/1134104810.db2.gz XQMDZXVQSPXDHR-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2cccnc2)cc1)c1ccc(Cl)nc1 ZINC001185680456 1134124499 /nfs/dbraw/zinc/12/44/99/1134124499.db2.gz VWPGHHVDOPADDB-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000788490471 1134132101 /nfs/dbraw/zinc/13/21/01/1134132101.db2.gz GHWCVLCAHIFDEW-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CC(C)(C)OC(=O)CC1CCN(C(=O)c2cccc([S-])c2)CC1 ZINC001186149729 1134175645 /nfs/dbraw/zinc/17/56/45/1134175645.db2.gz SYRZWIMTLFSRFW-UHFFFAOYSA-N -1 0 335.469 3.559 20 0 EHADRM CC(C)c1nc(CN(C)C(=O)c2cc(F)c(F)c([O-])c2F)cs1 ZINC001186779452 1134256755 /nfs/dbraw/zinc/25/67/55/1134256755.db2.gz OFQRSSKRLUDKTR-UHFFFAOYSA-N -1 0 344.358 3.662 20 0 EHADRM COc1cccc(-c2cccc([N-]S(=O)(=O)c3ccco3)c2)c1 ZINC001186851807 1134260107 /nfs/dbraw/zinc/26/01/07/1134260107.db2.gz VSFXTWHVBNQKPF-UHFFFAOYSA-N -1 0 329.377 3.756 20 0 EHADRM CC(C)n1nc(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccco1 ZINC001186820603 1134262572 /nfs/dbraw/zinc/26/25/72/1134262572.db2.gz SZBBPWIPNPGQBI-UHFFFAOYSA-N -1 0 331.397 3.525 20 0 EHADRM O=S(=O)([N-][C@@H](c1ccc(Cl)cc1)C(F)(F)F)c1ccco1 ZINC001186875575 1134265598 /nfs/dbraw/zinc/26/55/98/1134265598.db2.gz LAXIZHITUQQKLH-NSHDSACASA-N -1 0 339.722 3.515 20 0 EHADRM O=S(=O)([N-]c1ccccc1-c1ccc(Cl)cn1)c1ccco1 ZINC001186863068 1134270600 /nfs/dbraw/zinc/27/06/00/1134270600.db2.gz IHJKWQVSPPERIZ-UHFFFAOYSA-N -1 0 334.784 3.796 20 0 EHADRM CC(C)c1cncc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)c1 ZINC001187189314 1134307211 /nfs/dbraw/zinc/30/72/11/1134307211.db2.gz WUMZEFGDKLXFTR-UHFFFAOYSA-N -1 0 336.482 3.946 20 0 EHADRM O=S(=O)([N-]c1cccc2ocnc21)c1ccc(Cl)c(Cl)c1 ZINC000790005861 1134357714 /nfs/dbraw/zinc/35/77/14/1134357714.db2.gz XYCZUDVJRSRBIZ-UHFFFAOYSA-N -1 0 343.191 3.935 20 0 EHADRM COC(CCCC(C)(C)CNC(=O)c1cccc(Cl)c1[O-])OC ZINC000790028559 1134361882 /nfs/dbraw/zinc/36/18/82/1134361882.db2.gz AEQUJQYPCILNBH-UHFFFAOYSA-N -1 0 343.851 3.591 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccccc2)c(F)c1)c1nccs1 ZINC001187899877 1134393664 /nfs/dbraw/zinc/39/36/64/1134393664.db2.gz XYDHQQKOTNJIQZ-UHFFFAOYSA-N -1 0 334.397 3.750 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ccc3ccccc3c2)c(F)c1 ZINC000790382541 1134407544 /nfs/dbraw/zinc/40/75/44/1134407544.db2.gz VPBXSQUICMORJK-UHFFFAOYSA-N -1 0 331.368 3.788 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cc1OC(F)(F)F)c1ccoc1 ZINC001188608182 1134481438 /nfs/dbraw/zinc/48/14/38/1134481438.db2.gz URUDSLFUQHEKFL-UHFFFAOYSA-N -1 0 341.694 3.632 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)c(OC(F)(F)F)c1)c1ccoc1 ZINC001188610683 1134482168 /nfs/dbraw/zinc/48/21/68/1134482168.db2.gz WQYMFODLRZGGCW-UHFFFAOYSA-N -1 0 341.694 3.632 20 0 EHADRM O=C(NCCc1ccc2[nH]ccc2c1)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188588604 1134485343 /nfs/dbraw/zinc/48/53/43/1134485343.db2.gz VCJHAISKSPAPIV-UHFFFAOYSA-N -1 0 348.324 3.865 20 0 EHADRM Cn1c(CNC(=O)c2ccc([O-])c(C(F)(F)F)c2)cc2ccccc21 ZINC001188588702 1134485665 /nfs/dbraw/zinc/48/56/65/1134485665.db2.gz GRODRNUNSDJAOE-UHFFFAOYSA-N -1 0 348.324 3.833 20 0 EHADRM CC(=O)c1cc(F)c([N-]C(=O)c2nc(Cl)cs2)c(F)c1F ZINC000790973269 1134493769 /nfs/dbraw/zinc/49/37/69/1134493769.db2.gz RPOLDYPOVRHRIF-UHFFFAOYSA-N -1 0 334.706 3.669 20 0 EHADRM CO[C@@H]1CCOc2c(NC(=O)c3cccc(Cl)c3[O-])cccc21 ZINC000791092802 1134508184 /nfs/dbraw/zinc/50/81/84/1134508184.db2.gz MHULJNASHUHZPQ-CQSZACIVSA-N -1 0 333.771 3.768 20 0 EHADRM O=C(OCc1cc(-c2ccc(F)cc2)no1)c1c(F)cc([O-])cc1F ZINC000746987295 1134516085 /nfs/dbraw/zinc/51/60/85/1134516085.db2.gz VMWOMJYYOIEPNU-UHFFFAOYSA-N -1 0 349.264 3.822 20 0 EHADRM CC[C@](C)([N-]S(=O)(=O)C1=Cc2ccccc2CC1)C(F)(F)F ZINC000775206999 1134521180 /nfs/dbraw/zinc/52/11/80/1134521180.db2.gz CMMARIGNPPKSBT-AWEZNQCLSA-N -1 0 333.375 3.624 20 0 EHADRM Cc1cc(F)nc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)c1 ZINC001189363915 1134581639 /nfs/dbraw/zinc/58/16/39/1134581639.db2.gz ODWYZHJLWHUVTO-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM CCCc1ccc(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)s1 ZINC001189513320 1134594415 /nfs/dbraw/zinc/59/44/15/1134594415.db2.gz SFDGJZGINIPVPM-UHFFFAOYSA-N -1 0 327.409 3.844 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3occc32)c1 ZINC001189613711 1134606426 /nfs/dbraw/zinc/60/64/26/1134606426.db2.gz OEIBKVLNAWAUGB-UHFFFAOYSA-N -1 0 337.784 3.896 20 0 EHADRM C[C@H](c1ccc(Cl)cc1Cl)S(=O)(=O)[N-]C(=O)C=C1CCC1 ZINC000772782818 1134608398 /nfs/dbraw/zinc/60/83/98/1134608398.db2.gz ABZMIESKAZGHGS-SECBINFHSA-N -1 0 348.251 3.611 20 0 EHADRM COc1cc(Cl)ccc1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC001189823477 1134630704 /nfs/dbraw/zinc/63/07/04/1134630704.db2.gz JLXJYBJWRKEYAC-UHFFFAOYSA-N -1 0 347.770 3.569 20 0 EHADRM CCC[C@@H](NC(=O)c1cccc(Cl)c1[O-])[C@@H](O)c1ccccc1 ZINC000792567115 1134706563 /nfs/dbraw/zinc/70/65/63/1134706563.db2.gz SNJVCWIWKKKLJV-CVEARBPZSA-N -1 0 333.815 3.678 20 0 EHADRM COc1cc(C(C)=O)ccc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190501202 1134706782 /nfs/dbraw/zinc/70/67/82/1134706782.db2.gz XXWXEDSRHOSKBO-UHFFFAOYSA-N -1 0 345.420 3.576 20 0 EHADRM O=S(=O)([N-]c1ccccc1OC(F)F)c1ccc(C2CC2)cc1 ZINC001190499999 1134706792 /nfs/dbraw/zinc/70/67/92/1134706792.db2.gz GWFNKTIAFXGCGV-UHFFFAOYSA-N -1 0 339.363 3.966 20 0 EHADRM Cc1c2cc(F)ccc2oc1S(=O)(=O)NC(C)(C)C1CCC1 ZINC001190503725 1134707952 /nfs/dbraw/zinc/70/79/52/1134707952.db2.gz CVUPMGLVKAFAGS-UHFFFAOYSA-N -1 0 325.405 3.737 20 0 EHADRM [O-]c1cc(CN2CCOC[C@@H]2c2ccccc2)c(F)c(F)c1Cl ZINC001250386935 1134728258 /nfs/dbraw/zinc/72/82/58/1134728258.db2.gz CYVRHQRWQOMPHF-CYBMUJFWSA-N -1 0 339.769 3.897 20 0 EHADRM O=C(COC(=O)c1cc([S-])ccc1F)c1c[nH]c2ccccc12 ZINC000798724989 1134762447 /nfs/dbraw/zinc/76/24/47/1134762447.db2.gz RSHWZMYXFSRLSP-UHFFFAOYSA-N -1 0 329.352 3.635 20 0 EHADRM CC1(C)CCCC[C@H]1CC(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000752470219 1134796336 /nfs/dbraw/zinc/79/63/36/1134796336.db2.gz BQUBAKMBWRQLQK-LBPRGKRZSA-N -1 0 343.876 3.751 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cccc3cn(C)nc32)cc1 ZINC001191249640 1134823968 /nfs/dbraw/zinc/82/39/68/1134823968.db2.gz ZBMKIVOOZZANCI-UHFFFAOYSA-N -1 0 343.452 3.717 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2O)cc1 ZINC001191248743 1134836754 /nfs/dbraw/zinc/83/67/54/1134836754.db2.gz GWWGXZAYPVNFRL-UHFFFAOYSA-N -1 0 335.425 3.544 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cccc(C(C)C)n1 ZINC001191788043 1134923145 /nfs/dbraw/zinc/92/31/45/1134923145.db2.gz ZKQKUGQBAHOZHE-UHFFFAOYSA-N -1 0 334.441 3.713 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(C(=O)CC)cc1 ZINC001191829184 1134932882 /nfs/dbraw/zinc/93/28/82/1134932882.db2.gz VMGUNQVFDMTHNH-UHFFFAOYSA-N -1 0 347.436 3.787 20 0 EHADRM COc1ccc2cc(S(=O)(=O)[N-]c3ncc(C)cc3C)ccc2c1 ZINC001191940289 1134944759 /nfs/dbraw/zinc/94/47/59/1134944759.db2.gz LGRVPXLOSJGPGO-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3cncc(F)c3)cc2)cc1 ZINC001192064763 1134963549 /nfs/dbraw/zinc/96/35/49/1134963549.db2.gz ZLKNTCVNAFOCDG-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM CC(C)c1ccccc1NC(=O)Nc1cc(S(C)(=O)=O)ccc1[O-] ZINC001192259460 1134990038 /nfs/dbraw/zinc/99/00/38/1134990038.db2.gz IZUQUZTVVYWRRW-UHFFFAOYSA-N -1 0 348.424 3.563 20 0 EHADRM Cc1cc(Cl)ncc1S(=O)(=O)Nc1cccc(Cl)c1F ZINC001192355994 1135004465 /nfs/dbraw/zinc/00/44/65/1135004465.db2.gz MQSAKQKWYBUZJW-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CCc1cccc(CC)c1[N-]S(=O)(=O)c1cnc(Cl)cc1C ZINC001192357675 1135005263 /nfs/dbraw/zinc/00/52/63/1135005263.db2.gz FTUIOQBUHHXGIF-UHFFFAOYSA-N -1 0 338.860 3.969 20 0 EHADRM CCCCCC[C@](C)(CC)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000793950859 1135007108 /nfs/dbraw/zinc/00/71/08/1135007108.db2.gz QMPOTRQTXKXTTC-SFHVURJKSA-N -1 0 345.447 3.693 20 0 EHADRM CSCCO[N-]C(=O)C1(c2ccc(OCC(C)C)cc2)CCC1 ZINC000794194705 1135025927 /nfs/dbraw/zinc/02/59/27/1135025927.db2.gz FJMWBNDVGLGXJW-UHFFFAOYSA-N -1 0 337.485 3.554 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cccnc2C2CCC2)c1 ZINC001192775073 1135053681 /nfs/dbraw/zinc/05/36/81/1135053681.db2.gz IAABENOIEBOZCL-UHFFFAOYSA-N -1 0 346.452 3.721 20 0 EHADRM O=C(Nc1cc(F)c(Cl)nc1Cl)c1ccc(F)c(F)c1[O-] ZINC001192796316 1135055881 /nfs/dbraw/zinc/05/58/81/1135055881.db2.gz CEZLOEFAUPELGW-UHFFFAOYSA-N -1 0 337.084 3.764 20 0 EHADRM O=C(c1ccc(F)c(F)c1[O-])N1CCC[C@@H]1c1ccc(F)cc1F ZINC001192806642 1135056832 /nfs/dbraw/zinc/05/68/32/1135056832.db2.gz GSZGHFCUKZKMNL-CQSZACIVSA-N -1 0 339.288 3.926 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3nc(C)oc3c2)c1 ZINC001192804672 1135057120 /nfs/dbraw/zinc/05/71/20/1135057120.db2.gz AVDXDHIUCHCMQP-UHFFFAOYSA-N -1 0 346.408 3.508 20 0 EHADRM O=C(Nc1cc(F)cc(Br)c1)c1ccc(F)c(F)c1[O-] ZINC001192807710 1135057225 /nfs/dbraw/zinc/05/72/25/1135057225.db2.gz VYFJVUXTXRQVJZ-UHFFFAOYSA-N -1 0 346.102 3.824 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1cc(CC)ccc1OC ZINC001192816131 1135058275 /nfs/dbraw/zinc/05/82/75/1135058275.db2.gz KAUKDVISQVEBQC-UHFFFAOYSA-N -1 0 349.452 3.847 20 0 EHADRM O=C(c1cc(F)c([O-])cc1F)N1CCC[C@H]1c1ccc(F)cc1F ZINC001192872611 1135061702 /nfs/dbraw/zinc/06/17/02/1135061702.db2.gz QTSCBNIQALKCOI-HNNXBMFYSA-N -1 0 339.288 3.926 20 0 EHADRM O=C(Nc1cc(F)cc(Br)c1)c1cc(F)c([O-])cc1F ZINC001192872844 1135061959 /nfs/dbraw/zinc/06/19/59/1135061959.db2.gz UFCDVYVFSDMZRZ-UHFFFAOYSA-N -1 0 346.102 3.824 20 0 EHADRM O=C(Nc1cnnc2ccc(Cl)cc21)c1cc(F)c([O-])cc1F ZINC001192859655 1135066783 /nfs/dbraw/zinc/06/67/83/1135066783.db2.gz JSGXOFQIELGYAC-UHFFFAOYSA-N -1 0 335.697 3.519 20 0 EHADRM COc1cccc([C@H](C)NC(=O)Nc2ccc([S-])c(OC)c2)c1 ZINC001192892305 1135068643 /nfs/dbraw/zinc/06/86/43/1135068643.db2.gz CJHRYMQGGFDXOU-NSHDSACASA-N -1 0 332.425 3.875 20 0 EHADRM Cc1ccccc1-c1cc(NC(=O)c2c([O-])cccc2Cl)n[nH]1 ZINC000775559240 1135085420 /nfs/dbraw/zinc/08/54/20/1135085420.db2.gz YKYASGKICDQIRC-UHFFFAOYSA-N -1 0 327.771 3.996 20 0 EHADRM Cn1ccnc1S(=O)(=O)[N-]c1ccc(Cl)c(-c2ccccc2)c1 ZINC001193611285 1135158958 /nfs/dbraw/zinc/15/89/58/1135158958.db2.gz KLZOQKVFGOEQGK-UHFFFAOYSA-N -1 0 347.827 3.541 20 0 EHADRM Cc1cc(NC(=O)c2ccc(F)c([O-])c2F)n(-c2ccccc2F)n1 ZINC001193771279 1135178155 /nfs/dbraw/zinc/17/81/55/1135178155.db2.gz ZYRQYDUHDWSGND-UHFFFAOYSA-N -1 0 347.296 3.556 20 0 EHADRM O=C(Nc1cc(-c2ccc(F)cc2)no1)c1ccc(F)c([O-])c1F ZINC001193769486 1135184698 /nfs/dbraw/zinc/18/46/98/1135184698.db2.gz GGIAISMRPCHDSL-UHFFFAOYSA-N -1 0 334.253 3.717 20 0 EHADRM CC(=O)c1ccncc1[N-]S(=O)(=O)c1ccc(C)c2ccccc21 ZINC001193833992 1135190693 /nfs/dbraw/zinc/19/06/93/1135190693.db2.gz UGRQZHILTCRIOJ-UHFFFAOYSA-N -1 0 340.404 3.547 20 0 EHADRM CN(C=O)c1ccc(C(=O)Nc2c(Cl)ccc([O-])c2Cl)cc1 ZINC001194014209 1135214500 /nfs/dbraw/zinc/21/45/00/1135214500.db2.gz CECFEBVGQVFEFK-UHFFFAOYSA-N -1 0 339.178 3.544 20 0 EHADRM O=C(Nc1ncc(Br)cc1[O-])Oc1ccc(Cl)cc1 ZINC001194030738 1135217315 /nfs/dbraw/zinc/21/73/15/1135217315.db2.gz JAHIBIQBBRXZBS-UHFFFAOYSA-N -1 0 343.564 3.814 20 0 EHADRM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc(-c2cccs2)cc1 ZINC001194142241 1135239547 /nfs/dbraw/zinc/23/95/47/1135239547.db2.gz RNLBJANKHOJORM-UHFFFAOYSA-N -1 0 347.465 3.566 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2ccc3c(Cl)cccc3c2)cn1 ZINC001194216019 1135245597 /nfs/dbraw/zinc/24/55/97/1135245597.db2.gz RECAIGSCTMLHBT-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM O=C(Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1)Oc1ccccc1 ZINC001194251431 1135250163 /nfs/dbraw/zinc/25/01/63/1135250163.db2.gz LPTVMROARJOTHS-UHFFFAOYSA-N -1 0 343.360 3.697 20 0 EHADRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1ccc2[nH]ccc2c1 ZINC001194259778 1135251350 /nfs/dbraw/zinc/25/13/50/1135251350.db2.gz AEVMEYRRWLFGPM-UHFFFAOYSA-N -1 0 332.363 3.620 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1ccc(-n2cccn2)cc1 ZINC000805256831 1135253679 /nfs/dbraw/zinc/25/36/79/1135253679.db2.gz ZFFMEENYBZAKGR-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM COc1ncccc1S(=O)(=O)[N-]c1ccccc1-c1ccccc1 ZINC001194705261 1135303331 /nfs/dbraw/zinc/30/33/31/1135303331.db2.gz HHYRTPUUHIUKNI-UHFFFAOYSA-N -1 0 340.404 3.558 20 0 EHADRM COCc1ccc(NS(=O)(=O)c2c(C)cc(OC)c(C)c2C)cc1 ZINC001194865070 1135332303 /nfs/dbraw/zinc/33/23/03/1135332303.db2.gz XQUROWBKJDKESG-UHFFFAOYSA-N -1 0 349.452 3.568 20 0 EHADRM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)C(C)(C)C1CC1 ZINC000805842224 1135344305 /nfs/dbraw/zinc/34/43/05/1135344305.db2.gz AZAPQUSNCIWRSB-UHFFFAOYSA-N -1 0 337.485 3.534 20 0 EHADRM CC(C)(C)CCCCC(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000805842066 1135344668 /nfs/dbraw/zinc/34/46/68/1135344668.db2.gz SDJBGQKKFFLOAI-UHFFFAOYSA-N -1 0 337.894 3.813 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cn3c(cccc3Cl)n2)c1 ZINC001195120617 1135372466 /nfs/dbraw/zinc/37/24/66/1135372466.db2.gz LMFIUYVSOARMPF-UHFFFAOYSA-N -1 0 349.843 3.912 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cnc3c(c2)CCCC3)c1 ZINC001195119829 1135372727 /nfs/dbraw/zinc/37/27/27/1135372727.db2.gz AQAMQJWNYMDWJH-UHFFFAOYSA-N -1 0 330.453 3.885 20 0 EHADRM COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC001195307973 1135411199 /nfs/dbraw/zinc/41/11/99/1135411199.db2.gz AUDFFDNGJZIHAR-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3cccs3)c2)cn1 ZINC001195724422 1135461101 /nfs/dbraw/zinc/46/11/01/1135461101.db2.gz AOBVQODCXRHJIR-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM C[C@H]1CN(C(=O)c2cccc(Cl)c2[O-])C[C@@H](c2ccccc2)O1 ZINC000775673261 1135474924 /nfs/dbraw/zinc/47/49/24/1135474924.db2.gz XVCLHNGNHFVUHV-LRDDRELGSA-N -1 0 331.799 3.648 20 0 EHADRM CC1(C)C[C@H](NC(=O)c2cccc(F)c2[O-])c2cc(F)ccc2O1 ZINC001130748684 1135492535 /nfs/dbraw/zinc/49/25/35/1135492535.db2.gz WHVMGRCYRKQTHO-AWEZNQCLSA-N -1 0 333.334 3.703 20 0 EHADRM COC(OC)c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])o1 ZINC000807182455 1135527915 /nfs/dbraw/zinc/52/79/15/1135527915.db2.gz AAEFUCAJJOFFSM-UHFFFAOYSA-N -1 0 346.166 3.836 20 0 EHADRM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cn1 ZINC001196197191 1135529506 /nfs/dbraw/zinc/52/95/06/1135529506.db2.gz IGNAYZUPUSVCSY-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccccc2)nc1)c1ccc(Cl)cn1 ZINC001196202002 1135530415 /nfs/dbraw/zinc/53/04/15/1135530415.db2.gz IHZVLZVFWVPTDD-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccccn2)cc1)c1ccc(Cl)cn1 ZINC001196245416 1135540144 /nfs/dbraw/zinc/54/01/44/1135540144.db2.gz YTXYZEHFLCYKJN-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2OC(C)C)c(F)c1 ZINC001196386641 1135553355 /nfs/dbraw/zinc/55/33/55/1135553355.db2.gz DRKOKVVCYURQFF-UHFFFAOYSA-N -1 0 341.379 3.861 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc3ncoc32)c(F)c1 ZINC001196387359 1135553592 /nfs/dbraw/zinc/55/35/92/1135553592.db2.gz ODVSIAWHFVKYDG-UHFFFAOYSA-N -1 0 340.763 3.730 20 0 EHADRM CCn1cnc([N-]S(=O)(=O)c2ccc3cc(Cl)ccc3c2)c1 ZINC001196418729 1135560662 /nfs/dbraw/zinc/56/06/62/1135560662.db2.gz AEHJZUXKVGYTTM-UHFFFAOYSA-N -1 0 335.816 3.510 20 0 EHADRM O=C(Nc1cc(-c2ccncn2)cs1)c1cc(Cl)c(F)cc1[O-] ZINC001196459311 1135570055 /nfs/dbraw/zinc/57/00/55/1135570055.db2.gz NWKRPCGWVWLXRT-UHFFFAOYSA-N -1 0 349.774 3.956 20 0 EHADRM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cc(OC)ccc2F)on1 ZINC001196720361 1135599824 /nfs/dbraw/zinc/59/98/24/1135599824.db2.gz JPTDOMUZMPSECC-JTQLQIEISA-N -1 0 342.392 3.527 20 0 EHADRM COc1ccc(F)c(S(=O)(=O)[N-]c2ccc3c(c2)CCCC3)c1 ZINC001196763643 1135603852 /nfs/dbraw/zinc/60/38/52/1135603852.db2.gz AGSYJOCNUGAQFE-UHFFFAOYSA-N -1 0 335.400 3.514 20 0 EHADRM CC(C)c1scnc1[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000808129815 1135616083 /nfs/dbraw/zinc/61/60/83/1135616083.db2.gz TWDKDQHLTSRPPG-UHFFFAOYSA-N -1 0 334.466 3.996 20 0 EHADRM CN(C(=O)c1cccc(Cl)c1[O-])[C@H]1CCCN(c2ccccc2)C1 ZINC000775745748 1135619995 /nfs/dbraw/zinc/61/99/95/1135619995.db2.gz DTBRUZRXIYQRJL-HNNXBMFYSA-N -1 0 344.842 3.787 20 0 EHADRM COc1cc(C)c(S(=O)(=O)Nc2cnc3ccsc3c2)c(C)c1 ZINC001196857612 1135623702 /nfs/dbraw/zinc/62/37/02/1135623702.db2.gz JHFXPPOORVKHSZ-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2ccc3ncsc3c2)cc1 ZINC001197069377 1135646952 /nfs/dbraw/zinc/64/69/52/1135646952.db2.gz IGVKIPLUCLABCM-UHFFFAOYSA-N -1 0 329.406 3.803 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2cccnc2C(F)(F)F)cc1 ZINC001197076979 1135647541 /nfs/dbraw/zinc/64/75/41/1135647541.db2.gz OAJHOUBJMWOWOS-UHFFFAOYSA-N -1 0 341.314 3.608 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N[C@@H]2C[C@H]2c2cccc(Cl)c2)cc1 ZINC001197132642 1135647903 /nfs/dbraw/zinc/64/79/03/1135647903.db2.gz YXFFGZPIQMOQQO-LSDHHAIUSA-N -1 0 346.839 3.881 20 0 EHADRM CC(C)(C)c1cncc(NC(=S)Nc2ccc(C(=O)[O-])cc2)c1 ZINC001197083979 1135648066 /nfs/dbraw/zinc/64/80/66/1135648066.db2.gz GIPUBPSCYLNFIA-UHFFFAOYSA-N -1 0 329.425 3.886 20 0 EHADRM CC[C@@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)c1cccc(F)c1 ZINC001197137265 1135648962 /nfs/dbraw/zinc/64/89/62/1135648962.db2.gz RMMIXFCUEYYCKC-OAHLLOKOSA-N -1 0 332.400 3.962 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NCCC2CCC(F)(F)CC2)cc1 ZINC001197136953 1135648996 /nfs/dbraw/zinc/64/89/96/1135648996.db2.gz NBQCQGIKVPREMM-UHFFFAOYSA-N -1 0 342.411 3.887 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2cccc3ncsc32)cc1 ZINC001197113873 1135651485 /nfs/dbraw/zinc/65/14/85/1135651485.db2.gz XOYGEGCXRQHHAQ-UHFFFAOYSA-N -1 0 329.406 3.803 20 0 EHADRM O=C(C[C@@H]1CCCN1C(=O)c1cccc(Cl)c1[O-])c1ccco1 ZINC000775775170 1135696101 /nfs/dbraw/zinc/69/61/01/1135696101.db2.gz WMBRFFXYLZEWLG-NSHDSACASA-N -1 0 333.771 3.516 20 0 EHADRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)Cc2c(F)cccc2F)on1 ZINC001197565230 1135706506 /nfs/dbraw/zinc/70/65/06/1135706506.db2.gz YTKLNBLPTWQJMZ-SNVBAGLBSA-N -1 0 344.383 3.798 20 0 EHADRM O=S(=O)(Cc1c(F)cccc1F)[N-]c1cccc(C2CCC2)n1 ZINC001197567018 1135707525 /nfs/dbraw/zinc/70/75/25/1135707525.db2.gz APCUABJCQJLBMV-UHFFFAOYSA-N -1 0 338.379 3.569 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N(Cc1ccc(O)cc1)CC1CC1 ZINC000775779544 1135713939 /nfs/dbraw/zinc/71/39/39/1135713939.db2.gz BGVRODLXIUSATB-UHFFFAOYSA-N -1 0 331.799 3.804 20 0 EHADRM O=S(=O)(Cc1c(F)cccc1F)Nc1cccc2cc(O)ccc21 ZINC001197603097 1135713960 /nfs/dbraw/zinc/71/39/60/1135713960.db2.gz MZDABDCOMKQGOJ-UHFFFAOYSA-N -1 0 349.358 3.766 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)c1 ZINC001198004256 1135760685 /nfs/dbraw/zinc/76/06/85/1135760685.db2.gz BQQRZCXXVXSVNG-UHFFFAOYSA-N -1 0 338.432 3.782 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)cc1 ZINC000809065006 1135770477 /nfs/dbraw/zinc/77/04/77/1135770477.db2.gz RXAKDLACRUHABL-KZNAEPCWSA-N -1 0 349.496 3.548 20 0 EHADRM Cc1conc1[N-]S(=O)(=O)c1ccccc1Oc1ccccc1 ZINC001198443570 1135820620 /nfs/dbraw/zinc/82/06/20/1135820620.db2.gz PQJOTVLENXTWQG-UHFFFAOYSA-N -1 0 330.365 3.576 20 0 EHADRM Nc1cc(Cl)nc(Cl)c1Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203318616 1135872706 /nfs/dbraw/zinc/87/27/06/1135872706.db2.gz GOUHIYTWVWHYNB-UHFFFAOYSA-N -1 0 334.109 3.691 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cncc(C(F)(F)F)c1 ZINC000809721816 1135878176 /nfs/dbraw/zinc/87/81/76/1135878176.db2.gz BSTBIEYYIAUAMM-UHFFFAOYSA-N -1 0 339.298 3.783 20 0 EHADRM CN(C)c1ccc(C2CCN(C(=O)c3ccc(F)cc3[O-])CC2)cc1 ZINC000775972213 1135908969 /nfs/dbraw/zinc/90/89/69/1135908969.db2.gz SWKGWNVEYHLAMT-UHFFFAOYSA-N -1 0 342.414 3.617 20 0 EHADRM Cc1ccccc1C1(C(=O)[N-]S(=O)(=O)C2CCCCC2)CCCC1 ZINC000810557502 1135972365 /nfs/dbraw/zinc/97/23/65/1135972365.db2.gz SBUQPHIJBFKQNA-UHFFFAOYSA-N -1 0 349.496 3.586 20 0 EHADRM CC(C)Sc1ccccc1C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000105764866 1135974980 /nfs/dbraw/zinc/97/49/80/1135974980.db2.gz KYWIWHUVBZLUHB-UHFFFAOYSA-N -1 0 341.498 3.579 20 0 EHADRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)CCCc1ccccc1Cl ZINC000810580371 1135977879 /nfs/dbraw/zinc/97/78/79/1135977879.db2.gz CJEWXHGCGWFWOT-ZDUSSCGKSA-N -1 0 345.892 3.545 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cccc(Oc3ccccc3C)c2)no1 ZINC001201571838 1136042355 /nfs/dbraw/zinc/04/23/55/1136042355.db2.gz VKWDZYCQSGIYLJ-UHFFFAOYSA-N -1 0 344.392 3.885 20 0 EHADRM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccnc(Cl)c1C ZINC000811835762 1136142634 /nfs/dbraw/zinc/14/26/34/1136142634.db2.gz NNKXOCMWGDONPZ-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)CCC(C)(C)C)c(F)c1F ZINC000813196389 1136302313 /nfs/dbraw/zinc/30/23/13/1136302313.db2.gz SNMFVSAYZLVQJG-LLVKDONJSA-N -1 0 347.427 3.541 20 0 EHADRM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H](C)C1 ZINC000776509861 1136328550 /nfs/dbraw/zinc/32/85/50/1136328550.db2.gz GNJYKUQDIDHIJY-TZMCWYRMSA-N -1 0 337.485 3.534 20 0 EHADRM CCCC(CCC)C(=O)[N-]S(=O)(=O)c1cccc2c(C)ccnc21 ZINC000851138079 1136341413 /nfs/dbraw/zinc/34/14/13/1136341413.db2.gz UGPSJEADSFPWJL-UHFFFAOYSA-N -1 0 348.468 3.565 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])[C@@H](O)c1ccc(Cl)cc1 ZINC000813521854 1136341684 /nfs/dbraw/zinc/34/16/84/1136341684.db2.gz QXWSGZNALKZNDP-LBPRGKRZSA-N -1 0 330.142 3.510 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H]1CCCC[C@H]1CC ZINC000814015086 1136386598 /nfs/dbraw/zinc/38/65/98/1136386598.db2.gz SGRFLCHOUJGWJF-OIISXLGYSA-N -1 0 337.485 3.800 20 0 EHADRM O=C([O-])[C@H](NC(=O)C1CC2(C1)CCCCC2)c1cc(F)ccc1F ZINC000851595356 1136395280 /nfs/dbraw/zinc/39/52/80/1136395280.db2.gz GWJRUGIVJUDLGP-OAHLLOKOSA-N -1 0 337.366 3.567 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N2CCC[C@H]2CC2CCCCC2)o1 ZINC000851595863 1136395293 /nfs/dbraw/zinc/39/52/93/1136395293.db2.gz QYIUSIMQPNOGDR-KLQCNHIUSA-N -1 0 331.412 3.952 20 0 EHADRM COc1cccc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)c1C ZINC000851595412 1136395354 /nfs/dbraw/zinc/39/53/54/1136395354.db2.gz IPIVNKJNNPWPNN-UHFFFAOYSA-N -1 0 343.379 3.741 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)Nc2cccc(OC3CCCC3)c2)o1 ZINC000851595513 1136395427 /nfs/dbraw/zinc/39/54/27/1136395427.db2.gz PPEVTMMPAWXWDJ-LUAWRHEFSA-N -1 0 341.363 3.951 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N(Cc2ccccc2)CC2CCC2)o1 ZINC000851596266 1136395512 /nfs/dbraw/zinc/39/55/12/1136395512.db2.gz SXBAIZZXIDTJHL-BENRWUELSA-N -1 0 339.391 3.820 20 0 EHADRM Cc1ccccc1C1CCN(C(=O)c2ccc(/C=C\C(=O)[O-])o2)CC1 ZINC000851596391 1136395544 /nfs/dbraw/zinc/39/55/44/1136395544.db2.gz RULRRULXWZOBCT-CLFYSBASSA-N -1 0 339.391 3.706 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(Nc2cccnc2)cc1 ZINC000851600977 1136395827 /nfs/dbraw/zinc/39/58/27/1136395827.db2.gz INMAAVLXISGKHD-UHFFFAOYSA-N -1 0 341.411 3.589 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)c1cccc(SC(F)(F)F)c1 ZINC000851625914 1136396787 /nfs/dbraw/zinc/39/67/87/1136396787.db2.gz YKFYWFSWVVMKSW-BXUZGUMPSA-N -1 0 347.358 3.672 20 0 EHADRM CCCC[C@H](NC(=O)C1CCC(C(=O)[O-])CC1)c1ccc(OC)cc1 ZINC000851692670 1136399791 /nfs/dbraw/zinc/39/97/91/1136399791.db2.gz JGORVYZMUIDCGU-HTWSVDAQSA-N -1 0 347.455 3.934 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)c(C)o1 ZINC000776565953 1136435321 /nfs/dbraw/zinc/43/53/21/1136435321.db2.gz GLDFJAFMOIJQGD-BXUZGUMPSA-N -1 0 341.473 3.554 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1c1nccc2ccc(Br)cc21 ZINC000852911933 1136493142 /nfs/dbraw/zinc/49/31/42/1136493142.db2.gz JDNNDHQGODZXLO-ZYHUDNBSSA-N -1 0 349.228 3.687 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cccc(SC(F)(F)F)c1 ZINC000852944567 1136493878 /nfs/dbraw/zinc/49/38/78/1136493878.db2.gz IWFSQDFLIDDELV-KOLCDFICSA-N -1 0 347.358 3.624 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@@H]1c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000852953392 1136494364 /nfs/dbraw/zinc/49/43/64/1136494364.db2.gz OCTXPHXZXHEDTR-IREHDKGXSA-N -1 0 343.467 3.822 20 0 EHADRM O=C([O-])C[C@H](NC(=O)/C=C/C1CCCCC1)c1ccc(F)cc1F ZINC000776658367 1136526732 /nfs/dbraw/zinc/52/67/32/1136526732.db2.gz SXXBEQAZDUMBMO-FSNWXROXSA-N -1 0 337.366 3.733 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)/C=C\C1CCCCC1)c1ccc(F)cc1F ZINC000776658366 1136526838 /nfs/dbraw/zinc/52/68/38/1136526838.db2.gz SXXBEQAZDUMBMO-CXOKCQFOSA-N -1 0 337.366 3.733 20 0 EHADRM C[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1F)c1ccccc1 ZINC000776659563 1136529618 /nfs/dbraw/zinc/52/96/18/1136529618.db2.gz GKDWRYYZUHNMOO-PXAZEXFGSA-N -1 0 347.361 3.791 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)/C=C\SCc1ccco1 ZINC000776675629 1136532169 /nfs/dbraw/zinc/53/21/69/1136532169.db2.gz WHPZAWNKPBZXKG-SIJIIQCFSA-N -1 0 345.420 3.667 20 0 EHADRM CC(C)CCS(=O)(=O)[N-]C(=O)c1sc2ccccc2c1Cl ZINC000111985877 1136594990 /nfs/dbraw/zinc/59/49/90/1136594990.db2.gz WXIBDXILUULOMY-UHFFFAOYSA-N -1 0 345.873 3.660 20 0 EHADRM C[C@@H]([N-]C(=O)C(F)(F)c1ccc(Br)cc1)C(F)(F)F ZINC000854481447 1136619699 /nfs/dbraw/zinc/61/96/99/1136619699.db2.gz HAUQBZUYVCPCHL-ZCFIWIBFSA-N -1 0 346.093 3.608 20 0 EHADRM O=C(Nc1ccc2oc(=O)[nH]c2c1)c1cccc(C(F)(F)F)c1[O-] ZINC001135213072 1136640412 /nfs/dbraw/zinc/64/04/12/1136640412.db2.gz AHCKIWWRCHUYCN-UHFFFAOYSA-N -1 0 338.241 3.510 20 0 EHADRM O=C(Nc1cnn(-c2ccccc2Cl)c1)c1cc(F)c([O-])c(F)c1 ZINC000748040777 1136659451 /nfs/dbraw/zinc/65/94/51/1136659451.db2.gz RCRYAQWPJGYIGP-UHFFFAOYSA-N -1 0 349.724 3.762 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H](C)C(C)(C)C ZINC000816107805 1136671297 /nfs/dbraw/zinc/67/12/97/1136671297.db2.gz QZRIFENQEVXDAR-UKRRQHHQSA-N -1 0 325.474 3.512 20 0 EHADRM O=Cc1ccc(-c2ccc([O-])c(C(=O)Nc3ccccc3F)c2)o1 ZINC001135396367 1136676025 /nfs/dbraw/zinc/67/60/25/1136676025.db2.gz LEVKYPPRMHEGRJ-UHFFFAOYSA-N -1 0 325.295 3.856 20 0 EHADRM CC(C)c1ccc(NC(=O)c2ncc(Br)cc2[O-])cc1 ZINC001135492599 1136695906 /nfs/dbraw/zinc/69/59/06/1136695906.db2.gz JWOQYZNWYDVQMK-UHFFFAOYSA-N -1 0 335.201 3.925 20 0 EHADRM Cc1ccc(CC2CN(C(=O)c3ccc4oc(=S)[n-]c4c3)C2)cc1 ZINC000855863577 1136738356 /nfs/dbraw/zinc/73/83/56/1136738356.db2.gz AMQXLAQZEGXLRB-UHFFFAOYSA-N -1 0 338.432 3.740 20 0 EHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCC([C@H]2CCCCO2)CC1 ZINC000855946411 1136742790 /nfs/dbraw/zinc/74/27/90/1136742790.db2.gz NXOZPPNORHSAGK-OAHLLOKOSA-N -1 0 346.452 3.538 20 0 EHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000855955725 1136744325 /nfs/dbraw/zinc/74/43/25/1136744325.db2.gz UHSLOIMCBNWDCN-ZFWWWQNUSA-N -1 0 346.452 3.538 20 0 EHADRM O=C(Nc1ccc(-n2cccn2)cc1)c1ccc2oc(=S)[n-]c2c1 ZINC000816862128 1136759382 /nfs/dbraw/zinc/75/93/82/1136759382.db2.gz WWSYYWUWPJULPT-UHFFFAOYSA-N -1 0 336.376 3.555 20 0 EHADRM CC(C)(CNC(=O)c1ccc2oc(=S)[n-]c2c1)c1cccs1 ZINC000816925721 1136764008 /nfs/dbraw/zinc/76/40/08/1136764008.db2.gz VZQYIAWBAQEPDT-UHFFFAOYSA-N -1 0 332.450 3.886 20 0 EHADRM O=C(N[C@@H](c1ccccc1)C(F)F)c1ccc2[n-]c(=S)oc2c1 ZINC000817224193 1136784273 /nfs/dbraw/zinc/78/42/73/1136784273.db2.gz LHMGGSMXTXKLFU-ZDUSSCGKSA-N -1 0 334.347 3.853 20 0 EHADRM CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cc(F)cc(F)c1[O-] ZINC001135838046 1136785145 /nfs/dbraw/zinc/78/51/45/1136785145.db2.gz GGARCQCFJYWNFH-UHFFFAOYSA-N -1 0 343.276 3.544 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC000114617188 1136813701 /nfs/dbraw/zinc/81/37/01/1136813701.db2.gz BIWARZOPVRAVGD-GZKZCVOOSA-N -1 0 335.469 3.710 20 0 EHADRM C[C@@H](NC(=O)CC1(CC(=O)[O-])CCC1)c1ccccc1C(F)(F)F ZINC000817572658 1136821533 /nfs/dbraw/zinc/82/15/33/1136821533.db2.gz VWQMSNHGBOANOU-LLVKDONJSA-N -1 0 343.345 3.918 20 0 EHADRM CC(C)COCCCNC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC001135954160 1136827777 /nfs/dbraw/zinc/82/77/77/1136827777.db2.gz MKYMQBZJFUORHE-UHFFFAOYSA-N -1 0 335.831 3.991 20 0 EHADRM CC(C)C(=O)Nc1ccc(OC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000857464528 1136873544 /nfs/dbraw/zinc/87/35/44/1136873544.db2.gz GJPMGMQJFQCMCH-UHFFFAOYSA-N -1 0 333.771 3.859 20 0 EHADRM O=c1nc(NCCCO[C@@H]2CCCc3ccccc32)cc(Cl)[nH]1 ZINC000858411581 1136965426 /nfs/dbraw/zinc/96/54/26/1136965426.db2.gz OQIPXAULXWJEJI-CQSZACIVSA-N -1 0 333.819 3.732 20 0 EHADRM CCOc1ccc(NC(=O)c2ccc3oc(=S)[n-]c3c2)cc1F ZINC001136336978 1136993035 /nfs/dbraw/zinc/99/30/35/1136993035.db2.gz OVRJBGLZBCHHSB-UHFFFAOYSA-N -1 0 332.356 3.907 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)NC[C@@H]2CCC[C@H](C)C2)n1 ZINC001136406300 1137014034 /nfs/dbraw/zinc/01/40/34/1137014034.db2.gz MLXNYVWCXUQENB-LSDHHAIUSA-N -1 0 341.455 3.696 20 0 EHADRM O=S(=O)([N-]c1ccc2nc(Cl)sc2c1)c1ccccc1F ZINC000821097417 1137018382 /nfs/dbraw/zinc/01/83/82/1137018382.db2.gz SSDLHYOCMQBIET-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(SC(F)F)cc1 ZINC000013255810 1137060671 /nfs/dbraw/zinc/06/06/71/1137060671.db2.gz CIAYBVIAUZOZHO-RYUDHWBXSA-N -1 0 327.352 3.607 20 0 EHADRM Cc1cc(C)cc(-c2nnc(NC([O-])=NOCC3CCC3)s2)c1 ZINC000822683676 1137070122 /nfs/dbraw/zinc/07/01/22/1137070122.db2.gz LOWGVLJLGVODHR-UHFFFAOYSA-N -1 0 332.429 3.675 20 0 EHADRM Cc1cnc(C(=O)Nc2ccc(Cl)cc2-n2cccc2)c([O-])c1 ZINC001136657819 1137083325 /nfs/dbraw/zinc/08/33/25/1137083325.db2.gz DKWQKNVBAMNKNX-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM Cc1ccc(F)cc1-c1nnc(NC([O-])=NOCC2CCC2)s1 ZINC000823105551 1137085480 /nfs/dbraw/zinc/08/54/80/1137085480.db2.gz YZQGPZSGKHJRDV-UHFFFAOYSA-N -1 0 336.392 3.506 20 0 EHADRM Cc1nc2cc(NC(=O)CC3(C(=O)[O-])CCCCCC3)ccc2o1 ZINC000013467892 1137086881 /nfs/dbraw/zinc/08/68/81/1137086881.db2.gz CXJPTQCXJUTKNQ-UHFFFAOYSA-N -1 0 330.384 3.890 20 0 EHADRM O=C([N-]c1nnc(C2CCCCC2)s1)c1ncoc1C(F)(F)F ZINC000823121376 1137087982 /nfs/dbraw/zinc/08/79/82/1137087982.db2.gz UWTWQAIRHCRPGW-UHFFFAOYSA-N -1 0 346.334 3.845 20 0 EHADRM CCC(CC)[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000823328539 1137095347 /nfs/dbraw/zinc/09/53/47/1137095347.db2.gz HVYXHPBPHAWPRD-MEBBXXQBSA-N -1 0 327.371 3.669 20 0 EHADRM C/C(=C\C(=O)Nc1cccc(-n2ncc(C(=O)[O-])c2C)c1)C(C)(C)C ZINC000823329391 1137095524 /nfs/dbraw/zinc/09/55/24/1137095524.db2.gz SNLAGKYJBDZIEM-FMIVXFBMSA-N -1 0 341.411 3.810 20 0 EHADRM CC(C)(C)c1ccc(/C=C/C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])cc1 ZINC000823339475 1137095663 /nfs/dbraw/zinc/09/56/63/1137095663.db2.gz QTEOUCRIBFFEIW-PPGNKHEKSA-N -1 0 343.345 3.519 20 0 EHADRM CC(C)(C(=O)[N-]OCC1CC1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000861824747 1137121889 /nfs/dbraw/zinc/12/18/89/1137121889.db2.gz WOEXPDVHRBGHEA-CYBMUJFWSA-N -1 0 332.227 3.511 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)NCCCC(C)(C)C)n1 ZINC001136893371 1137141728 /nfs/dbraw/zinc/14/17/28/1137141728.db2.gz UZTQSJQMQTZAAW-UHFFFAOYSA-N -1 0 329.444 3.696 20 0 EHADRM CC(C)ON=C([O-])Nc1nc(-c2ccccc2C(F)(F)F)ns1 ZINC000824719214 1137149947 /nfs/dbraw/zinc/14/99/47/1137149947.db2.gz CTQJFGCGPMPYDM-UHFFFAOYSA-N -1 0 346.334 3.685 20 0 EHADRM Cc1n[n-]c(=NC(=O)N(Cc2ccc3ccccc3c2)C2CC2)s1 ZINC000339042015 1137153708 /nfs/dbraw/zinc/15/37/08/1137153708.db2.gz XACAUAVDUROYHB-UHFFFAOYSA-N -1 0 338.436 3.618 20 0 EHADRM Cc1ccccc1[C@H](CC(C)C)NC(=O)C(=O)[N-]OC1CCCCC1 ZINC000805881756 1137157461 /nfs/dbraw/zinc/15/74/61/1137157461.db2.gz IAJYQHIXEBHINM-SFHVURJKSA-N -1 0 346.471 3.579 20 0 EHADRM CC1(C)CCC[C@H]1[C@H]1CCN(C(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC000844035052 1137195210 /nfs/dbraw/zinc/19/52/10/1137195210.db2.gz VAKVFZAIOHDCGH-ZFWWWQNUSA-N -1 0 339.439 3.624 20 0 EHADRM C[C@@H]1CN(c2nccc3ccc(Br)cc32)CC[C@H]1C(=O)[O-] ZINC000863734127 1137201411 /nfs/dbraw/zinc/20/14/11/1137201411.db2.gz LABLSZJTIPJNJR-ZWNOBZJWSA-N -1 0 349.228 3.544 20 0 EHADRM O=C([O-])c1cccc(-c2ccc(C(=O)N3CCCCCC3=O)cc2)c1 ZINC000844205748 1137204445 /nfs/dbraw/zinc/20/44/45/1137204445.db2.gz XMTUSANQDGLKGL-UHFFFAOYSA-N -1 0 337.375 3.595 20 0 EHADRM Cc1ccc(NC(=O)N2CCc3occc3[C@H]2C(=O)[O-])c(Cl)c1C ZINC000864058774 1137213793 /nfs/dbraw/zinc/21/37/93/1137213793.db2.gz VLXRERLQLOGPLN-HNNXBMFYSA-N -1 0 348.786 3.766 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)/C=C/c2cc(C(=O)[O-])co2)cc1C ZINC000864105574 1137215337 /nfs/dbraw/zinc/21/53/37/1137215337.db2.gz GXVAZBKVBYRWTE-DVBCCOPCSA-N -1 0 339.391 3.972 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)/C=C/c1csc(C(F)(F)F)c1 ZINC000864116245 1137215825 /nfs/dbraw/zinc/21/58/25/1137215825.db2.gz OHAARJUNNYFIBM-ONEGZZNKSA-N -1 0 335.347 3.540 20 0 EHADRM CCc1cc2c(CC(=O)N(CCC(=O)[O-])C(C)C)csc2s1 ZINC000864118587 1137215992 /nfs/dbraw/zinc/21/59/92/1137215992.db2.gz YLBCYBNKCAVIDO-UHFFFAOYSA-N -1 0 339.482 3.779 20 0 EHADRM O=C([O-])CCCCCCNC(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000864121833 1137216010 /nfs/dbraw/zinc/21/60/10/1137216010.db2.gz LXDKEBZLVVLQJU-UHFFFAOYSA-N -1 0 332.227 3.687 20 0 EHADRM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000864129005 1137216547 /nfs/dbraw/zinc/21/65/47/1137216547.db2.gz CGJPLBIZFMJLMP-XZPUFVBZSA-N -1 0 343.354 3.535 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000864132693 1137216783 /nfs/dbraw/zinc/21/67/83/1137216783.db2.gz VKYZOEHLPBHQCV-KURKYZTESA-N -1 0 329.440 3.816 20 0 EHADRM COc1cc(NC(=O)[C@H](C)CCc2ccc(F)cc2)ccc1C(=O)[O-] ZINC000864143330 1137217081 /nfs/dbraw/zinc/21/70/81/1137217081.db2.gz CCCWCUBJPASBNC-GFCCVEGCSA-N -1 0 345.370 3.740 20 0 EHADRM CSCCCCCCC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000864156167 1137217396 /nfs/dbraw/zinc/21/73/96/1137217396.db2.gz ZHEZUCSCXUSROP-OWCLPIDISA-N -1 0 341.517 3.792 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)/C=C\c2cc(C(=O)[O-])co2)c(C)c1 ZINC000864178381 1137218123 /nfs/dbraw/zinc/21/81/23/1137218123.db2.gz ZAHDJIWJRHUKGH-QPBFKRLHSA-N -1 0 327.380 3.827 20 0 EHADRM Cc1cscc1C(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000864196024 1137218548 /nfs/dbraw/zinc/21/85/48/1137218548.db2.gz MCIRMUNTRWZQIO-MRXNPFEDSA-N -1 0 337.828 3.526 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)CCc1ccc(-c2ccccc2)o1)C1CC1 ZINC000864197592 1137218725 /nfs/dbraw/zinc/21/87/25/1137218725.db2.gz HBRDDKCKEVAGIW-FQEVSTJZSA-N -1 0 341.407 3.639 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21)C1CC1 ZINC000864200426 1137218977 /nfs/dbraw/zinc/21/89/77/1137218977.db2.gz XZLIHPNDGXAXNH-DBXWQHBBSA-N -1 0 337.419 3.703 20 0 EHADRM Cc1ccccc1C[C@@H](C)C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000864227614 1137219440 /nfs/dbraw/zinc/21/94/40/1137219440.db2.gz GPCOHWCHLXGXAI-NVXWUHKLSA-N -1 0 337.419 3.779 20 0 EHADRM CO[C@H](C)c1nc(Cc2nc(=O)c3c(C)sc(C)c3[n-]2)cs1 ZINC000864354557 1137223253 /nfs/dbraw/zinc/22/32/53/1137223253.db2.gz GVAHDKQNZAXFRY-SSDOTTSWSA-N -1 0 335.454 3.768 20 0 EHADRM CC(C)(C)c1cnc(CNCc2cccc(CCC(=O)[O-])c2)s1 ZINC000864518614 1137231712 /nfs/dbraw/zinc/23/17/12/1137231712.db2.gz OUEQRXQGPZOBAA-UHFFFAOYSA-N -1 0 332.469 3.748 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])cc(-c2ccc(C3(O)CCC3)cc2)c1O ZINC000864612057 1137236651 /nfs/dbraw/zinc/23/66/51/1137236651.db2.gz JMQSFFFJZDGEAH-FPYGCLRLSA-N -1 0 340.375 3.537 20 0 EHADRM O=C(Nc1ccccc1OC(F)F)c1ccc2[n-]c(=S)oc2c1 ZINC000120211577 1137244577 /nfs/dbraw/zinc/24/45/77/1137244577.db2.gz QXQDYWWDWIGOOZ-UHFFFAOYSA-N -1 0 336.319 3.970 20 0 EHADRM CC[C@@H](C)CO[N-]C(=O)CSCc1coc(-c2ccccc2)n1 ZINC000794841575 1137288146 /nfs/dbraw/zinc/28/81/46/1137288146.db2.gz GBWLNROCUAPVSP-CYBMUJFWSA-N -1 0 334.441 3.669 20 0 EHADRM Cc1cc(C)c(NC(=O)C[C@@H](C)c2ccccc2)c(S(=O)(=O)[O-])c1 ZINC001144425978 1137290227 /nfs/dbraw/zinc/29/02/27/1137290227.db2.gz HKNWAPFKWIWXRZ-CYBMUJFWSA-N -1 0 347.436 3.682 20 0 EHADRM CCOc1ccc(-c2nc(CC(=O)[N-]OC[C@H](C)CC)cs2)cc1 ZINC000794855231 1137300004 /nfs/dbraw/zinc/30/00/04/1137300004.db2.gz YDSOKOOBRLJKBB-CYBMUJFWSA-N -1 0 348.468 3.845 20 0 EHADRM Cc1ccccc1[C@@H](O)C(=O)Nc1cc(Cl)c(C)c(Cl)c1[O-] ZINC001144537651 1137306540 /nfs/dbraw/zinc/30/65/40/1137306540.db2.gz AHLCYWZWORFHGM-CQSZACIVSA-N -1 0 340.206 3.988 20 0 EHADRM CC(C)(Br)C(=O)Nc1ccc2[n-]c(=S)sc2c1 ZINC001144554364 1137308622 /nfs/dbraw/zinc/30/86/22/1137308622.db2.gz OTRJMQNAHGAMNH-UHFFFAOYSA-N -1 0 331.260 3.697 20 0 EHADRM COC(C)(C)c1nsc([N-]c2cnn(CC(C)C)c2C2CC2)n1 ZINC000865809697 1137313547 /nfs/dbraw/zinc/31/35/47/1137313547.db2.gz CPNPAJNEMSRIGR-UHFFFAOYSA-N -1 0 335.477 3.893 20 0 EHADRM C[C@@H](NC(=O)[C@]1(C(=O)[O-])CC=CCC1)c1ccccc1C(F)(F)F ZINC000846707758 1137363183 /nfs/dbraw/zinc/36/31/83/1137363183.db2.gz YIDWDRRJFCBRJB-BZNIZROVSA-N -1 0 341.329 3.694 20 0 EHADRM CC(C)(C)OC(=O)c1cc(NC(=O)c2ccc([O-])c(Cl)c2)ccn1 ZINC001146810661 1137394710 /nfs/dbraw/zinc/39/47/10/1137394710.db2.gz QTGYEEXKJGTWMC-UHFFFAOYSA-N -1 0 348.786 3.648 20 0 EHADRM CCCN(C(=O)c1cc(F)cc(F)c1[O-])[C@H]1C[C@H](OCC)C1(C)C ZINC001147227713 1137403084 /nfs/dbraw/zinc/40/30/84/1137403084.db2.gz VDTZFYMXSNNXFG-GJZGRUSLSA-N -1 0 341.398 3.726 20 0 EHADRM CN(C(=O)c1cc(Br)cc(F)c1[O-])C1CC(C)(C)C1 ZINC000868850670 1137426264 /nfs/dbraw/zinc/42/62/64/1137426264.db2.gz IJSRGDAVLFBBDP-UHFFFAOYSA-N -1 0 330.197 3.554 20 0 EHADRM Cc1c(F)c(F)cc(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1F ZINC001148734900 1137432677 /nfs/dbraw/zinc/43/26/77/1137432677.db2.gz UFHOXCCGUBRSCC-UHFFFAOYSA-N -1 0 347.296 3.556 20 0 EHADRM O=C(N[C@H]1CCCc2cccnc21)c1cc(Cl)cc(Cl)c1[O-] ZINC001148812691 1137435570 /nfs/dbraw/zinc/43/55/70/1137435570.db2.gz YKMPUQXMPAERAQ-ZDUSSCGKSA-N -1 0 337.206 3.901 20 0 EHADRM CCc1oc(C(=O)NCc2ccc(C)cc2OC(C)C)cc1C(=O)[O-] ZINC000339087368 1137435566 /nfs/dbraw/zinc/43/55/66/1137435566.db2.gz HSSKOXCTWFYEGK-UHFFFAOYSA-N -1 0 345.395 3.566 20 0 EHADRM C[C@@H](Oc1cccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)c1)C(=O)[O-] ZINC000208114454 1137484133 /nfs/dbraw/zinc/48/41/33/1137484133.db2.gz YAFBQIKAHFMWLQ-XBLUXWHVSA-N -1 0 343.766 3.685 20 0 EHADRM Cc1ccc2nc([N-]c3nccnc3CN)nc(-c3ccccc3)c2c1 ZINC001171443468 1137486390 /nfs/dbraw/zinc/48/63/90/1137486390.db2.gz DRMPGXLBZZKRNG-UHFFFAOYSA-N -1 0 342.406 3.598 20 0 EHADRM O=C1CC[C@@H](CNc2cc(F)ccc2[S-])CN1Cc1ccccc1 ZINC001171529344 1137496757 /nfs/dbraw/zinc/49/67/57/1137496757.db2.gz PILMMYIVVAKVBX-HNNXBMFYSA-N -1 0 344.455 3.965 20 0 EHADRM CCC(CC)(CNC(=O)c1cc(F)c(F)c([O-])c1F)C(F)(F)F ZINC000871262752 1137530037 /nfs/dbraw/zinc/53/00/37/1137530037.db2.gz KFIBKAVQEOYNHU-UHFFFAOYSA-N -1 0 343.267 3.908 20 0 EHADRM CN(C)C(=O)Sc1ccc(NC(=O)c2ccc(F)cc2[O-])cc1 ZINC000123670822 1137545810 /nfs/dbraw/zinc/54/58/10/1137545810.db2.gz QPUUZWYXFSREJR-UHFFFAOYSA-N -1 0 334.372 3.557 20 0 EHADRM O=C([O-])C[C@H](NCc1nc2c(s1)CCC2)c1ccccc1Cl ZINC000871883048 1137562474 /nfs/dbraw/zinc/56/24/74/1137562474.db2.gz AROSEUHOHURQBH-ZDUSSCGKSA-N -1 0 336.844 3.591 20 0 EHADRM CCc1ccc(C)nc1[N-]S(=O)(=O)c1ccc(F)c(C(F)F)c1 ZINC000872006712 1137564317 /nfs/dbraw/zinc/56/43/17/1137564317.db2.gz RHYMMAZLOBBUMF-UHFFFAOYSA-N -1 0 344.358 3.830 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2cnccc2C(F)(F)F)cc1 ZINC000872010662 1137564525 /nfs/dbraw/zinc/56/45/25/1137564525.db2.gz BRKCOCPJNGQYEV-UHFFFAOYSA-N -1 0 344.358 3.854 20 0 EHADRM O=C([O-])[C@H](c1cccc(Cl)c1Cl)[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000872163265 1137574784 /nfs/dbraw/zinc/57/47/84/1137574784.db2.gz BPPLJQSFVPYHDL-BHDSKKPTSA-N -1 0 346.279 3.804 20 0 EHADRM Cc1noc(C)c1[N-]S(=O)(=O)c1ccc(C(C)(C)C)c(F)c1 ZINC000872345126 1137578823 /nfs/dbraw/zinc/57/88/23/1137578823.db2.gz MMDQHMNCJRZEJX-UHFFFAOYSA-N -1 0 326.393 3.529 20 0 EHADRM CCc1noc(C)c1[N-]S(=O)(=O)c1ccc(C(C)(C)C)c(F)c1 ZINC000872358209 1137578931 /nfs/dbraw/zinc/57/89/31/1137578931.db2.gz QLWDFQUMPAGNHR-UHFFFAOYSA-N -1 0 340.420 3.783 20 0 EHADRM Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000872728711 1137583227 /nfs/dbraw/zinc/58/32/27/1137583227.db2.gz WMUQLYYEPYVIHX-CQSZACIVSA-N -1 0 344.436 3.506 20 0 EHADRM O=C([O-])[C@@H](CC1CC1)NC(=O)c1ccccc1SCc1ccco1 ZINC000872746928 1137583557 /nfs/dbraw/zinc/58/35/57/1137583557.db2.gz FFMQVXNUATVSEJ-OAHLLOKOSA-N -1 0 345.420 3.555 20 0 EHADRM O=C([O-])[C@H](CC1CC1)NC(=O)c1sccc1-c1ccc(F)cc1 ZINC000872747943 1137583698 /nfs/dbraw/zinc/58/36/98/1137583698.db2.gz WXSCTYFXRBWNJK-AWEZNQCLSA-N -1 0 333.384 3.537 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H]1C(=O)Nc1cccc(C2SCCS2)c1 ZINC000872833979 1137585223 /nfs/dbraw/zinc/58/52/23/1137585223.db2.gz ZRNHNIWKKDPAPI-CHWSQXEVSA-N -1 0 337.466 3.605 20 0 EHADRM CC(C)c1ccc([C@@](C)(CC(=O)[O-])C(=O)N[C@H](C)c2ccc[nH]2)cc1 ZINC000872853268 1137585577 /nfs/dbraw/zinc/58/55/77/1137585577.db2.gz RCIMPRHQDOLPQF-JLTOFOAXSA-N -1 0 342.439 3.748 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)NCc1ccc(-c2ccccc2)s1 ZINC000872880348 1137585980 /nfs/dbraw/zinc/58/59/80/1137585980.db2.gz BNXPTHBVGXVIOK-UHFFFAOYSA-N -1 0 349.477 3.628 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC000872884738 1137586046 /nfs/dbraw/zinc/58/60/46/1137586046.db2.gz YNRRQJWKZKKSTN-WDEREUQCSA-N -1 0 333.331 3.738 20 0 EHADRM CC(C)C[C@](C)(CC(=O)[O-])C(=O)Nc1cccc(-c2cnco2)c1 ZINC000872898641 1137586267 /nfs/dbraw/zinc/58/62/67/1137586267.db2.gz YTWYHDVBZFDAKA-GOSISDBHSA-N -1 0 330.384 3.807 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)C(C)(C)SCC(=O)[O-])cc1C ZINC000872910198 1137586360 /nfs/dbraw/zinc/58/63/60/1137586360.db2.gz JDEAKWUCWPDQLZ-HNNXBMFYSA-N -1 0 335.469 3.563 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)C(C)(C)SCC(=O)[O-])cc1C ZINC000872910203 1137586405 /nfs/dbraw/zinc/58/64/05/1137586405.db2.gz JDEAKWUCWPDQLZ-OAHLLOKOSA-N -1 0 335.469 3.563 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)C(C)(C)CCC(=O)[O-])c1nc2ccccc2[nH]1 ZINC000872906452 1137586430 /nfs/dbraw/zinc/58/64/30/1137586430.db2.gz BQFZQNOLYSPGSS-LRDDRELGSA-N -1 0 345.443 3.657 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000872914480 1137586477 /nfs/dbraw/zinc/58/64/77/1137586477.db2.gz JICJTIZRKHRZRJ-FQEVSTJZSA-N -1 0 342.439 3.765 20 0 EHADRM O=C([O-])C1=C(C(=O)N[C@@H]2CC3(CCC3)Oc3ccccc32)CCCC1 ZINC000872954199 1137586938 /nfs/dbraw/zinc/58/69/38/1137586938.db2.gz UHCIFONANMEXMB-MRXNPFEDSA-N -1 0 341.407 3.504 20 0 EHADRM CCC(CC)(CNC(=O)CC1(CC(=O)[O-])CCCC1)C(F)(F)F ZINC000872996203 1137587619 /nfs/dbraw/zinc/58/76/19/1137587619.db2.gz SCJJUNNYIJTNJK-UHFFFAOYSA-N -1 0 337.382 3.897 20 0 EHADRM Cc1ccc(-c2ccccc2NC(=O)[C@@H](C)O[C@H](C)C(=O)[O-])s1 ZINC000872994138 1137587652 /nfs/dbraw/zinc/58/76/52/1137587652.db2.gz MSTPQWNHNHFJNM-VXGBXAGGSA-N -1 0 333.409 3.540 20 0 EHADRM Cc1ccc(NC(=O)C[C@]2(C(=O)[O-])CCOC2)cc1-c1ccsc1 ZINC000873003662 1137587705 /nfs/dbraw/zinc/58/77/05/1137587705.db2.gz COACYGJRNGTKPE-GOSISDBHSA-N -1 0 345.420 3.543 20 0 EHADRM CCC(CC)(CC(=O)N[C@@H](Cc1cccnc1)C1CCCC1)C(=O)[O-] ZINC000873000023 1137587740 /nfs/dbraw/zinc/58/77/40/1137587740.db2.gz UBHYXDSQJRMOPR-KRWDZBQOSA-N -1 0 346.471 3.580 20 0 EHADRM O=C([O-])c1ccccc1CNc1nn2cc(C3CCCC3)nc2s1 ZINC000873065555 1137589357 /nfs/dbraw/zinc/58/93/57/1137589357.db2.gz SFYAYETUKVDUBP-UHFFFAOYSA-N -1 0 342.424 3.759 20 0 EHADRM Cc1ccc(-c2ccccc2NC(=O)C(=O)[N-]OCC2CCC2)s1 ZINC000873948022 1137608275 /nfs/dbraw/zinc/60/82/75/1137608275.db2.gz HJILLSDIAWZNJN-UHFFFAOYSA-N -1 0 344.436 3.510 20 0 EHADRM C[C@]1(C(F)(F)F)CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000874477972 1137615069 /nfs/dbraw/zinc/61/50/69/1137615069.db2.gz NKTCNSOYAUCLPJ-LBPRGKRZSA-N -1 0 325.689 3.599 20 0 EHADRM O=Cc1cc(C(=O)[O-])cc(-c2ccc(OC[C@@H]3CCCCO3)cc2)c1 ZINC000874969671 1137627191 /nfs/dbraw/zinc/62/71/91/1137627191.db2.gz QRYZWLQPRDLLNF-IBGZPJMESA-N -1 0 340.375 3.812 20 0 EHADRM O=Cc1ccc(-c2cccc(-n3nc(C(=O)[O-])c4c3CCCC4)c2)o1 ZINC000874971577 1137627345 /nfs/dbraw/zinc/62/73/45/1137627345.db2.gz NKOQNZQTLSQTIR-UHFFFAOYSA-N -1 0 336.347 3.522 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC[C@H]2C(C)(C)C)n1 ZINC001137101396 1137646045 /nfs/dbraw/zinc/64/60/45/1137646045.db2.gz JKWONMLODCLSFT-KRWDZBQOSA-N -1 0 341.455 3.791 20 0 EHADRM O=S(=O)([N-]c1ncsc1C1CC1)c1ccc(F)c(C(F)F)c1 ZINC000882773598 1137834043 /nfs/dbraw/zinc/83/40/43/1137834043.db2.gz VLQZDBGXTZXINM-UHFFFAOYSA-N -1 0 348.371 3.898 20 0 EHADRM CC(=O)c1c(C)cc([N-]S(=O)(=O)c2ccc(C(F)F)o2)cc1C ZINC000882782343 1137834125 /nfs/dbraw/zinc/83/41/25/1137834125.db2.gz PBGAEPSRSHSUHZ-UHFFFAOYSA-N -1 0 343.351 3.837 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCCC[C@@H](C2CCOCC2)C1 ZINC000882908476 1137837563 /nfs/dbraw/zinc/83/75/63/1137837563.db2.gz RZLSHPYCELQQGU-OAHLLOKOSA-N -1 0 337.847 3.715 20 0 EHADRM CC(C)n1cnc(S(=O)(=O)[N-]c2ccccc2SC(F)F)c1 ZINC000131553348 1137855687 /nfs/dbraw/zinc/85/56/87/1137855687.db2.gz JFGATAHZLFTZAZ-UHFFFAOYSA-N -1 0 347.412 3.580 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@H](CC(C)C)c2ccccc2)s1 ZINC000348264609 1137886730 /nfs/dbraw/zinc/88/67/30/1137886730.db2.gz NTSWOEXZMVMYNZ-CQSZACIVSA-N -1 0 332.473 3.821 20 0 EHADRM Cc1occc1-c1cc([N-]S(=O)(=O)/C=C\c2ccccc2F)no1 ZINC000800047422 1137895574 /nfs/dbraw/zinc/89/55/74/1137895574.db2.gz KZQUMCJXNUVZPF-CLFYSBASSA-N -1 0 348.355 3.795 20 0 EHADRM O=C(NCc1ccccc1)Nc1ccc(F)c(Br)c1[O-] ZINC001202636487 1137903269 /nfs/dbraw/zinc/90/32/69/1137903269.db2.gz BCNSULJMQRUBMS-UHFFFAOYSA-N -1 0 339.164 3.616 20 0 EHADRM CCCc1nc(=NC(=O)N2CC[C@H](C)C[C@H]2c2ccc(C)o2)s[n-]1 ZINC000331498900 1137910642 /nfs/dbraw/zinc/91/06/42/1137910642.db2.gz BHLBNSWTGZSWNL-AAEUAGOBSA-N -1 0 348.472 3.819 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2c(C)nn(CC)c2C)cc1 ZINC000014227556 1137931012 /nfs/dbraw/zinc/93/10/12/1137931012.db2.gz XENCQHJGPHXWQX-GFCCVEGCSA-N -1 0 335.473 3.834 20 0 EHADRM CC(=O)c1ccc(C(=O)N2CCC(c3ccccc3C)CC2)cc1O ZINC000332380445 1137942132 /nfs/dbraw/zinc/94/21/32/1137942132.db2.gz OFJJVNLYNJJHIB-UHFFFAOYSA-N -1 0 337.419 3.923 20 0 EHADRM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2sccc2OC)cc1 ZINC000120995535 1137954335 /nfs/dbraw/zinc/95/43/35/1137954335.db2.gz XDYRYBJOQRVYPJ-LLVKDONJSA-N -1 0 341.454 3.735 20 0 EHADRM CC1(C)CCc2nc(NC(=O)c3s[n-]c(=O)c3Cl)sc2C1 ZINC000333187190 1137957635 /nfs/dbraw/zinc/95/76/35/1137957635.db2.gz RBRHYSRFXHKJOM-UHFFFAOYSA-N -1 0 343.861 3.726 20 0 EHADRM O=C(CSc1nc2ccc(Cl)cc2o1)[N-]OCc1ccccc1 ZINC000134964403 1137962172 /nfs/dbraw/zinc/96/21/72/1137962172.db2.gz UQUPOEANYVYZSK-UHFFFAOYSA-N -1 0 348.811 3.821 20 0 EHADRM O=C(OCc1nnc(-c2ccccc2O)o1)C1CCC(C2CC2)CC1 ZINC000884585874 1137963858 /nfs/dbraw/zinc/96/38/58/1137963858.db2.gz WZHBUPDHFCGRQB-UHFFFAOYSA-N -1 0 342.395 3.702 20 0 EHADRM CC1(C)C[C@@H](c2ccccc2)CN1C(=O)c1s[n-]c(=O)c1Cl ZINC000885235048 1137990446 /nfs/dbraw/zinc/99/04/46/1137990446.db2.gz VXZLEZCUDOPOEM-LLVKDONJSA-N -1 0 336.844 3.910 20 0 EHADRM CC1(C)C[C@@H](CNC(=O)c2cc(F)c([O-])c(Cl)c2)C(C)(C)O1 ZINC000885840044 1138021482 /nfs/dbraw/zinc/02/14/82/1138021482.db2.gz RFAPRESIWBBQFQ-JTQLQIEISA-N -1 0 329.799 3.508 20 0 EHADRM Cc1csc(C[C@@H]2CCN(C(=O)c3ccc([O-])c(Cl)c3)C2)n1 ZINC000886238260 1138062116 /nfs/dbraw/zinc/06/21/16/1138062116.db2.gz VJKFWQRLMUQWOQ-NSHDSACASA-N -1 0 336.844 3.515 20 0 EHADRM O=C([O-])c1ccc(F)c(Oc2cc(Cl)nc([C@H]3CCCO3)n2)c1 ZINC000886917576 1138172408 /nfs/dbraw/zinc/17/24/08/1138172408.db2.gz FBEDCOAOFCSJDN-SNVBAGLBSA-N -1 0 338.722 3.611 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)NC(=O)c1cc(F)c(F)cc1C(=O)[O-] ZINC000887319232 1138264400 /nfs/dbraw/zinc/26/44/00/1138264400.db2.gz PCBWJPZOMRORFO-KRWDZBQOSA-N -1 0 347.361 3.660 20 0 EHADRM Cc1ncsc1CN[C@@]1(C(=O)[O-])CCC(C)(C)c2ccccc21 ZINC000336865532 1138417615 /nfs/dbraw/zinc/41/76/15/1138417615.db2.gz DPSIJAUUVBJMEH-SFHVURJKSA-N -1 0 330.453 3.593 20 0 EHADRM O=C(Nc1cc(Br)cc(Cl)c1[O-])c1ccc(F)cn1 ZINC000337469463 1138578366 /nfs/dbraw/zinc/57/83/66/1138578366.db2.gz QETKVWGJZYPLBY-UHFFFAOYSA-N -1 0 345.555 3.595 20 0 EHADRM Cc1nc(C)c([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)s1 ZINC000348451922 1138583006 /nfs/dbraw/zinc/58/30/06/1138583006.db2.gz HFRBZLONBDJYJC-UHFFFAOYSA-N -1 0 334.825 3.662 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N2CCCC[C@H]2C(F)F)s1 ZINC000337527627 1138595544 /nfs/dbraw/zinc/59/55/44/1138595544.db2.gz QJQJOONGVXQQJO-JTQLQIEISA-N -1 0 332.420 3.515 20 0 EHADRM COc1cc(NC(=O)CC2(CC(=O)[O-])CCCCC2)c(C)c(OC)c1 ZINC000337649766 1138633664 /nfs/dbraw/zinc/63/36/64/1138633664.db2.gz CFXXDUXGTGJVGJ-UHFFFAOYSA-N -1 0 349.427 3.766 20 0 EHADRM CCc1noc(C)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C ZINC000337857611 1138683511 /nfs/dbraw/zinc/68/35/11/1138683511.db2.gz LKOSRQJLMOQZCU-UHFFFAOYSA-N -1 0 348.346 3.673 20 0 EHADRM CO[C@H](C)c1nc(=N[C@@H](C)[C@@H](OC)c2ccccc2Cl)s[n-]1 ZINC000337876163 1138688582 /nfs/dbraw/zinc/68/85/82/1138688582.db2.gz QPKJKKJMTIMULP-OPQQBVKSSA-N -1 0 341.864 3.509 20 0 EHADRM O=C([N-]c1nnc(-c2ccco2)s1)c1ncsc1C(F)(F)F ZINC000338403825 1138893907 /nfs/dbraw/zinc/89/39/07/1138893907.db2.gz AZXXSWXPRFIJCF-UHFFFAOYSA-N -1 0 346.315 3.526 20 0 EHADRM Cc1ccc([C@H]2C[C@H](C)CCN2Cc2nc(=O)c3sccc3[n-]2)o1 ZINC000173997387 1139392135 /nfs/dbraw/zinc/39/21/35/1139392135.db2.gz CRQUKSOUGQFPPI-BXUZGUMPSA-N -1 0 343.452 3.859 20 0 EHADRM CC(C)c1c([N-]S(=O)(=O)c2ccsc2)cnn1-c1ccccc1 ZINC000350829480 1139441078 /nfs/dbraw/zinc/44/10/78/1139441078.db2.gz JBVZDHXPAZKNQU-UHFFFAOYSA-N -1 0 347.465 3.858 20 0 EHADRM CCC(CC)[C@H]1C[C@H](NC(=O)c2ccc([O-])c(Cl)c2)CCO1 ZINC000183610648 1140049554 /nfs/dbraw/zinc/04/95/54/1140049554.db2.gz SMUIPAFTFBDBEY-CZUORRHYSA-N -1 0 325.836 3.759 20 0 EHADRM C[C@H](CNC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)CC(=O)[O-] ZINC000777399012 1140050831 /nfs/dbraw/zinc/05/08/31/1140050831.db2.gz GWHWLFKCESTMLD-MAHOQKISSA-N -1 0 349.736 3.599 20 0 EHADRM O=C(c1c([O-])cccc1F)N(Cc1ccccc1)CC1CCOCC1 ZINC000185868435 1140174449 /nfs/dbraw/zinc/17/44/49/1140174449.db2.gz XCFCVXALENTONS-UHFFFAOYSA-N -1 0 343.398 3.600 20 0 EHADRM CCC[C@@H](NC(=O)C1CCC(C(=O)[O-])CC1)c1ccc(F)cc1F ZINC000194435259 1140609546 /nfs/dbraw/zinc/60/95/46/1140609546.db2.gz GBQDANMHQLCZPJ-ZEPSKSRBSA-N -1 0 339.382 3.813 20 0 EHADRM O=C([O-])C1CCC(C(=O)N[C@H](CC2CCC2)c2ccccc2)CC1 ZINC000194443455 1140609654 /nfs/dbraw/zinc/60/96/54/1140609654.db2.gz FXTJYVRSOINQFS-DAWZGUTISA-N -1 0 329.440 3.925 20 0 EHADRM CCOc1cc(Cl)ccc1NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000268442501 1140939544 /nfs/dbraw/zinc/93/95/44/1140939544.db2.gz PIIFWKZMTHYLES-UHFFFAOYSA-N -1 0 325.792 3.712 20 0 EHADRM O=C([N-]c1c(F)ccnc1F)c1coc(-c2c(F)cccc2F)n1 ZINC001274533093 1141264108 /nfs/dbraw/zinc/26/41/08/1141264108.db2.gz OLZAIIYADXIYTM-UHFFFAOYSA-N -1 0 337.232 3.545 20 0 EHADRM C[C@@H](NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)c1cccc(F)c1F ZINC000270856031 1141276040 /nfs/dbraw/zinc/27/60/40/1141276040.db2.gz JBUXGCDNSBRQNJ-BLVKFPJESA-N -1 0 347.361 3.575 20 0 EHADRM O=C(Nc1ccc(-c2cncnc2)cc1)c1cc(F)c(F)c([O-])c1F ZINC000349128326 1141642519 /nfs/dbraw/zinc/64/25/19/1141642519.db2.gz KEBUIGRARBQJGO-UHFFFAOYSA-N -1 0 345.280 3.519 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCc1csc(Br)c1 ZINC000037224477 213136648 /nfs/dbraw/zinc/13/66/48/213136648.db2.gz XQKUKMVFAXMPOQ-UHFFFAOYSA-N -1 0 343.198 3.796 20 0 EHADRM CC(C)c1nc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)cs1 ZINC000139362624 519859587 /nfs/dbraw/zinc/85/95/87/519859587.db2.gz XHBKBZZLGQWJID-ZDUSSCGKSA-N -1 0 332.425 3.602 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cc(Cl)sc2Cl)c1O ZINC000236462158 599718925 /nfs/dbraw/zinc/71/89/25/599718925.db2.gz VPFROYDIKFHZIM-UHFFFAOYSA-N -1 0 332.164 3.711 20 0 EHADRM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000818085499 596925267 /nfs/dbraw/zinc/92/52/67/596925267.db2.gz ZCYDLVILBOLTKG-KBXCAEBGSA-N -1 0 338.407 3.724 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)C1 ZINC000533196171 597097235 /nfs/dbraw/zinc/09/72/35/597097235.db2.gz SHAZWUMLYSTTNT-GDIGMMSISA-N -1 0 337.419 3.657 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)Nc2cccc(OC3CCCC3)c2)C1 ZINC000669495590 597116916 /nfs/dbraw/zinc/11/69/16/597116916.db2.gz JKJVQUMMMZDQAS-AWEZNQCLSA-N -1 0 346.427 3.727 20 0 EHADRM O=C([O-])Cc1cccc(NCc2csc(Br)c2)c1 ZINC000738630273 597128212 /nfs/dbraw/zinc/12/82/12/597128212.db2.gz IXUVFDUCVWZMCK-UHFFFAOYSA-N -1 0 326.215 3.750 20 0 EHADRM CCCCn1nc(C)c(CNCc2ccc(C(=O)[O-])cc2)c1Cl ZINC000756281789 597136932 /nfs/dbraw/zinc/13/69/32/597136932.db2.gz LNRSFRRNRDZVFX-UHFFFAOYSA-N -1 0 335.835 3.633 20 0 EHADRM CCOc1c(Cl)cc(CNc2cccc(CC(=O)[O-])c2)cc1OC ZINC000414634711 597137696 /nfs/dbraw/zinc/13/76/96/597137696.db2.gz DAWGNDAERKAOPW-UHFFFAOYSA-N -1 0 349.814 3.987 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N2CCC[C@H]2Cc2ccccc2)c1 ZINC000738624230 597186712 /nfs/dbraw/zinc/18/67/12/597186712.db2.gz OLBFIXACVBJLMG-SFHVURJKSA-N -1 0 338.407 3.553 20 0 EHADRM C[C@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)c1cccc(Cl)c1 ZINC000390978863 597192091 /nfs/dbraw/zinc/19/20/91/597192091.db2.gz RUCIBYJTAIVMOX-NSHDSACASA-N -1 0 332.787 3.850 20 0 EHADRM Cc1cccc(C(C)(C)NC(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000738308909 597197965 /nfs/dbraw/zinc/19/79/65/597197965.db2.gz USBCZNVGNDSSFE-UHFFFAOYSA-N -1 0 326.396 3.679 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1ccc(F)cc1C(F)(F)F ZINC000819623487 597274216 /nfs/dbraw/zinc/27/42/16/597274216.db2.gz BONHDOIXWBABGB-UHFFFAOYSA-N -1 0 341.260 3.724 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000818070898 597282986 /nfs/dbraw/zinc/28/29/86/597282986.db2.gz CFDFQIDBUMSZPB-NSHDSACASA-N -1 0 338.812 3.714 20 0 EHADRM C[C@H](NC(=O)Nc1ccccc1CC(=O)[O-])c1ccc(Cl)s1 ZINC000315964064 597320728 /nfs/dbraw/zinc/32/07/28/597320728.db2.gz ULBGGBBNHFHTEB-VIFPVBQESA-N -1 0 338.816 3.911 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccccc1CC(=O)[O-])Sc1ccccc1 ZINC000818008279 597322531 /nfs/dbraw/zinc/32/25/31/597322531.db2.gz CUVWUMAWRNRYSI-ZDUSSCGKSA-N -1 0 344.436 3.616 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)NC(=O)Nc1ccccc1CC(=O)[O-] ZINC000818013943 597331564 /nfs/dbraw/zinc/33/15/64/597331564.db2.gz WKBXSHSFCYYHSN-LBPRGKRZSA-N -1 0 346.814 3.720 20 0 EHADRM Cc1cc(C)c(CNC(=O)Nc2ccccc2CC(=O)[O-])c(C)c1 ZINC000818801227 597340316 /nfs/dbraw/zinc/34/03/16/597340316.db2.gz DCGCDMIJUZQFAB-UHFFFAOYSA-N -1 0 326.396 3.561 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000819609164 597342056 /nfs/dbraw/zinc/34/20/56/597342056.db2.gz FMOFOYUTJQZJQW-QGZVFWFLSA-N -1 0 342.370 3.822 20 0 EHADRM O=C([O-])Cc1cccc(NCc2ccc(OC(F)F)c(F)c2)c1 ZINC000821538874 597391089 /nfs/dbraw/zinc/39/10/89/597391089.db2.gz ALQWVKVOXOCNLM-UHFFFAOYSA-N -1 0 325.286 3.666 20 0 EHADRM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000820228141 597650250 /nfs/dbraw/zinc/65/02/50/597650250.db2.gz MOWCIWKLGPMENK-PWSUYJOCSA-N -1 0 344.333 3.508 20 0 EHADRM Cc1ccccc1C1=CCN(C(=O)Nc2ccccc2CC(=O)[O-])C1 ZINC000821120116 597723021 /nfs/dbraw/zinc/72/30/21/597723021.db2.gz MGAVTTCNOMIHAO-UHFFFAOYSA-N -1 0 336.391 3.553 20 0 EHADRM Cc1c(Cl)cc(F)c(NC(=O)NC2CCC(C(=O)[O-])CC2)c1F ZINC000263032047 598147446 /nfs/dbraw/zinc/14/74/46/598147446.db2.gz KRMRPLSLUKLCKU-UHFFFAOYSA-N -1 0 346.761 3.692 20 0 EHADRM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)NCCCCC(=O)[O-] ZINC000666558279 598167687 /nfs/dbraw/zinc/16/76/87/598167687.db2.gz NNWHMPSOZXETPF-NSHDSACASA-N -1 0 346.349 3.663 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000821516370 598172777 /nfs/dbraw/zinc/17/27/77/598172777.db2.gz UAKRHWMOJVIOAB-UHFFFAOYSA-N -1 0 337.725 3.734 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N[C@@H](c1ccccc1)c1cccnc1 ZINC000821474978 598177538 /nfs/dbraw/zinc/17/75/38/598177538.db2.gz OUEVBQRGOGVSJW-SFHVURJKSA-N -1 0 347.374 3.691 20 0 EHADRM CCc1ccccc1NC(=O)C[C@H](C)Nc1cccc(CC(=O)[O-])c1 ZINC000563393230 598198106 /nfs/dbraw/zinc/19/81/06/598198106.db2.gz FKMFRRFNTVDDEP-AWEZNQCLSA-N -1 0 340.423 3.705 20 0 EHADRM CCn1c2ccccc2c2cc(NC(=O)CCCNC(=O)[O-])ccc21 ZINC000737299630 599706508 /nfs/dbraw/zinc/70/65/08/599706508.db2.gz QHUONQQSVTXAJI-UHFFFAOYSA-N -1 0 339.395 3.801 20 0 EHADRM C[C@@H](NC(=O)CCCNC(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000736636579 599710344 /nfs/dbraw/zinc/71/03/44/599710344.db2.gz LMGKOPHTKOVEFI-CQSZACIVSA-N -1 0 326.396 3.579 20 0 EHADRM CCCC[C@H](Sc1nc(C2CC2)nn1-c1ccccc1)C(=O)[O-] ZINC000736986085 599710718 /nfs/dbraw/zinc/71/07/18/599710718.db2.gz SSFZWTBTNHBXBZ-AWEZNQCLSA-N -1 0 331.441 3.880 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N2CC[C@@H](c3ccccc3)C2)ccc1F ZINC000740005188 599714881 /nfs/dbraw/zinc/71/48/81/599714881.db2.gz JSHQTFUFLOWDKY-CYBMUJFWSA-N -1 0 343.358 3.937 20 0 EHADRM C[C@H](c1ccccc1)N(C(=O)CCCNC(=O)[O-])c1ccccc1 ZINC000736718018 599725126 /nfs/dbraw/zinc/72/51/26/599725126.db2.gz PRPPTQBXCDFMFI-OAHLLOKOSA-N -1 0 326.396 3.829 20 0 EHADRM CCc1ccc([C@H](C)C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000737258051 599745440 /nfs/dbraw/zinc/74/54/40/599745440.db2.gz WGWZVBHYBBSNCY-JTQLQIEISA-N -1 0 333.334 3.968 20 0 EHADRM O=C([O-])c1ccoc1COC(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000739260500 599748345 /nfs/dbraw/zinc/74/83/45/599748345.db2.gz JYDWXJFQLNGVGC-UHFFFAOYSA-N -1 0 343.162 3.961 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(C(=O)CCSCC(=O)[O-])C1CC1 ZINC000736723487 599749301 /nfs/dbraw/zinc/74/93/01/599749301.db2.gz GNWADFAPBXKASU-NSHDSACASA-N -1 0 341.860 3.600 20 0 EHADRM O=C([O-])NCCCC(=O)N1CCC[C@H]1c1cccc2ccccc21 ZINC000739953304 599751035 /nfs/dbraw/zinc/75/10/35/599751035.db2.gz KJHFCNBFLNUQSL-KRWDZBQOSA-N -1 0 326.396 3.551 20 0 EHADRM C[C@@H](OC(=O)[C@@]1(C)CCCc2ccccc21)c1ccc(C(=O)[O-])o1 ZINC000736687125 599751354 /nfs/dbraw/zinc/75/13/54/599751354.db2.gz UWGCRYCSSXVVPB-BLVKFPJESA-N -1 0 328.364 3.876 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000236971872 599752326 /nfs/dbraw/zinc/75/23/26/599752326.db2.gz QMQBILAQEIOKBM-LSZYVWPRSA-N -1 0 325.408 3.559 20 0 EHADRM CC(C)N(Cc1cccs1)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000324829877 599755985 /nfs/dbraw/zinc/75/59/85/599755985.db2.gz UVBMNVDPIPNFLP-UHFFFAOYSA-N -1 0 348.424 3.654 20 0 EHADRM O=C([O-])CSCCC(=O)NCC1(c2ccccc2)CCCCCC1 ZINC000739843827 599757074 /nfs/dbraw/zinc/75/70/74/599757074.db2.gz DDAOBONSPNMBSA-UHFFFAOYSA-N -1 0 349.496 3.603 20 0 EHADRM CCOC(=O)Nc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000737146202 599762464 /nfs/dbraw/zinc/76/24/64/599762464.db2.gz JSYUUXUFQDLGHF-UHFFFAOYSA-N -1 0 342.351 3.514 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)CCCN(C)C(=O)[O-] ZINC000737229527 599765505 /nfs/dbraw/zinc/76/55/05/599765505.db2.gz NTIPGAGFDSUMBE-UHFFFAOYSA-N -1 0 330.837 3.781 20 0 EHADRM CC(C)OCc1ccc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000262155992 599767014 /nfs/dbraw/zinc/76/70/14/599767014.db2.gz GMLNYDOVDVQVGG-UHFFFAOYSA-N -1 0 341.407 3.881 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CC3(CCC3)c3c2cccc3F)s1 ZINC000740104932 599769094 /nfs/dbraw/zinc/76/90/94/599769094.db2.gz DNIAYJJIWLOTNS-UHFFFAOYSA-N -1 0 331.368 3.668 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)CCc2cc(F)ccc2F)cc1 ZINC000238027857 599771363 /nfs/dbraw/zinc/77/13/63/599771363.db2.gz ABAAIOQZIQFQSA-UHFFFAOYSA-N -1 0 333.334 3.553 20 0 EHADRM CCC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736970723 599781718 /nfs/dbraw/zinc/78/17/18/599781718.db2.gz OQXMJAOGEGQPPX-GOSISDBHSA-N -1 0 340.423 3.595 20 0 EHADRM O=C([O-])[C@@H](NCc1cc(-c2ccc(Cl)cc2)no1)c1ccccc1 ZINC000739498557 599783210 /nfs/dbraw/zinc/78/32/10/599783210.db2.gz AQLUZNZDVJVBPL-KRWDZBQOSA-N -1 0 342.782 3.911 20 0 EHADRM Cc1nc(CC(C)C)sc1C(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC000738851570 599787616 /nfs/dbraw/zinc/78/76/16/599787616.db2.gz MLTUNZVXNPCAEK-AWEZNQCLSA-N -1 0 333.409 3.633 20 0 EHADRM O=C([O-])c1ccccc1C(=O)OCc1ccccc1Oc1cccnc1 ZINC000740239533 599789483 /nfs/dbraw/zinc/78/94/83/599789483.db2.gz GWMDTPXFJRQDSY-UHFFFAOYSA-N -1 0 349.342 3.929 20 0 EHADRM Cc1cc(COC(=O)c2ccc(-c3ccco3)nc2C)oc1C(=O)[O-] ZINC000738393622 599789899 /nfs/dbraw/zinc/78/98/99/599789899.db2.gz XACCUVGFXIJZCZ-UHFFFAOYSA-N -1 0 341.319 3.607 20 0 EHADRM CC[C@](C)(NC(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC000736861342 599794061 /nfs/dbraw/zinc/79/40/61/599794061.db2.gz KPUSREFSJBXFMJ-IBGZPJMESA-N -1 0 326.396 3.761 20 0 EHADRM O=C([O-])c1cccc(C(=O)N(Cc2ccsc2)c2cccnc2)c1 ZINC000740212360 599799114 /nfs/dbraw/zinc/79/91/14/599799114.db2.gz IDVBBVJWUBPAPZ-UHFFFAOYSA-N -1 0 338.388 3.688 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2CCCCC2)c(OCC(F)(F)F)c1 ZINC000621553257 599800329 /nfs/dbraw/zinc/80/03/29/599800329.db2.gz SOEAHNMSMDUSCZ-UHFFFAOYSA-N -1 0 345.317 3.845 20 0 EHADRM O=C([O-])CSCCC(=O)OC1c2ccccc2Oc2ccccc21 ZINC000739852648 599800304 /nfs/dbraw/zinc/80/03/04/599800304.db2.gz LTDSXBZFBBLZFE-UHFFFAOYSA-N -1 0 344.388 3.633 20 0 EHADRM CCn1c(SCc2cc(C(=O)[O-])co2)nnc1-c1cccs1 ZINC000737299162 599801932 /nfs/dbraw/zinc/80/19/32/599801932.db2.gz JYYLKMZJQAVLFX-UHFFFAOYSA-N -1 0 335.410 3.610 20 0 EHADRM CC(C)(C)c1ccc(OCC(=O)Nc2ccsc2C(=O)[O-])cc1 ZINC000736299988 599802709 /nfs/dbraw/zinc/80/27/09/599802709.db2.gz PBRBFHLVIMNIMR-UHFFFAOYSA-N -1 0 333.409 3.761 20 0 EHADRM CC[C@H](NC(=O)Nc1cc(C(=O)[O-])ccc1C)c1nc(C)cs1 ZINC000736913942 599804776 /nfs/dbraw/zinc/80/47/76/599804776.db2.gz JCBZEZZTZUTZQH-LBPRGKRZSA-N -1 0 333.413 3.731 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)C[C@H]2CCCc3ccccc32)c1 ZINC000737941027 599809106 /nfs/dbraw/zinc/80/91/06/599809106.db2.gz ZPILVKWTXSSZMD-CQSZACIVSA-N -1 0 340.375 3.809 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2cc(CC3CCCCC3)[nH]n2)cc1 ZINC000740015806 599809201 /nfs/dbraw/zinc/80/92/01/599809201.db2.gz XQMZRLOAJCTGNP-UHFFFAOYSA-N -1 0 342.399 3.875 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C[C@@H]1CCCc2ccccc21)c1cccs1 ZINC000238128203 599811708 /nfs/dbraw/zinc/81/17/08/599811708.db2.gz SWUGYKDSNHDXJV-GOEBONIOSA-N -1 0 343.448 3.890 20 0 EHADRM CCC[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000736969888 599820495 /nfs/dbraw/zinc/82/04/95/599820495.db2.gz ITSOUZMEQNMUFQ-VIFPVBQESA-N -1 0 348.321 3.636 20 0 EHADRM C[C@@H]1CCC[C@H]1NC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000736777349 599822479 /nfs/dbraw/zinc/82/24/79/599822479.db2.gz BOFLFJCNIXBVCL-IUODEOHRSA-N -1 0 336.457 3.705 20 0 EHADRM CN(C(=O)CCCc1ccc(Cl)c(Cl)c1)C(C)(C)C(=O)[O-] ZINC000262505270 599825574 /nfs/dbraw/zinc/82/55/74/599825574.db2.gz ZJHZYZWPXIMWOB-UHFFFAOYSA-N -1 0 332.227 3.638 20 0 EHADRM COc1cccc([C@H](C)C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)c1 ZINC000738092192 599834707 /nfs/dbraw/zinc/83/47/07/599834707.db2.gz OUQBIYRCVXHJTJ-JTQLQIEISA-N -1 0 345.420 3.686 20 0 EHADRM CCCCN(C)c1ccc(C(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC000736992528 599835590 /nfs/dbraw/zinc/83/55/90/599835590.db2.gz LEDOAGBVXBBKTA-UHFFFAOYSA-N -1 0 340.423 3.898 20 0 EHADRM CN(C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1C(=O)[O-] ZINC000322148447 599837404 /nfs/dbraw/zinc/83/74/04/599837404.db2.gz SLTBRLAYBDSMHB-QWRGUYRKSA-N -1 0 329.318 3.716 20 0 EHADRM CN(C(=O)c1cnc(-c2ccccc2)s1)c1ccccc1C(=O)[O-] ZINC000737341201 599837903 /nfs/dbraw/zinc/83/79/03/599837903.db2.gz PHIIQDPKSPXDKH-UHFFFAOYSA-N -1 0 338.388 3.785 20 0 EHADRM O=C([O-])c1ccc(OC(=O)[C@H]2CCOc3ccccc32)c(Cl)c1 ZINC000740160836 599843348 /nfs/dbraw/zinc/84/33/48/599843348.db2.gz LEXMTQARTZHQST-LBPRGKRZSA-N -1 0 332.739 3.510 20 0 EHADRM CN(Cc1cc(C(=O)[O-])co1)Cc1cc(Br)ccc1F ZINC000737454601 599849370 /nfs/dbraw/zinc/84/93/70/599849370.db2.gz WESSQPCKWXSWON-UHFFFAOYSA-N -1 0 342.164 3.511 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC2(c3ccc(Cl)cc3)CCCC2)nc1 ZINC000740110424 599851893 /nfs/dbraw/zinc/85/18/93/599851893.db2.gz KSDXRBHXSMEZOZ-UHFFFAOYSA-N -1 0 344.798 3.633 20 0 EHADRM CC(C)(NC(=O)[O-])C(=O)OCc1ccccc1Oc1ccccc1 ZINC000736336935 599863320 /nfs/dbraw/zinc/86/33/20/599863320.db2.gz LGGYDRRHNCBNJK-UHFFFAOYSA-N -1 0 329.352 3.568 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)c1cccc(F)c1F ZINC000739435448 599870653 /nfs/dbraw/zinc/87/06/53/599870653.db2.gz CSAHBSYKNBKWRT-UHFFFAOYSA-N -1 0 347.342 3.808 20 0 EHADRM Cc1cc2occ(CC(=O)OCc3cc(C(=O)[O-])co3)c2cc1C ZINC000738486877 599876888 /nfs/dbraw/zinc/87/68/88/599876888.db2.gz INOYWCVIFSFDFH-UHFFFAOYSA-N -1 0 328.320 3.627 20 0 EHADRM CCC[C@@H]1CCCC[C@@H]1NC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000736975933 599881490 /nfs/dbraw/zinc/88/14/90/599881490.db2.gz VHSIPINNXUTORS-CJNGLKHVSA-N -1 0 336.432 3.787 20 0 EHADRM COc1ccc([C@@H](NC(=O)c2cccc(NC(=O)[O-])c2)C(C)C)cc1 ZINC000737964392 599898074 /nfs/dbraw/zinc/89/80/74/599898074.db2.gz IZDPIWFXZKFVRB-KRWDZBQOSA-N -1 0 342.395 3.912 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000738119526 599900811 /nfs/dbraw/zinc/90/08/11/599900811.db2.gz HOTZBOUIPXKISO-NSHDSACASA-N -1 0 331.343 3.665 20 0 EHADRM CC[C@H](Nc1ccccc1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000736922905 599903006 /nfs/dbraw/zinc/90/30/06/599903006.db2.gz CCLCPCAEJJIDPF-KRWDZBQOSA-N -1 0 326.396 3.533 20 0 EHADRM O=C([O-])c1ccc(COC(=O)C[C@H](c2ccccc2)C(F)(F)F)o1 ZINC000739217713 599904137 /nfs/dbraw/zinc/90/41/37/599904137.db2.gz ZZDWIUDZLMYGNV-GFCCVEGCSA-N -1 0 342.269 3.757 20 0 EHADRM CC(C)c1ccc(OCCNC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000736521185 599905484 /nfs/dbraw/zinc/90/54/84/599905484.db2.gz LOMIAVLABAMQTL-UHFFFAOYSA-N -1 0 342.395 3.709 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000679396287 599908066 /nfs/dbraw/zinc/90/80/66/599908066.db2.gz FAHWQZKTKROTSW-ZIAGYGMSSA-N -1 0 343.345 3.578 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2ccc(-c3csnn3)cc2)c1 ZINC000740034179 599909000 /nfs/dbraw/zinc/90/90/00/599909000.db2.gz SQIDQPRTBWTXNO-UHFFFAOYSA-N -1 0 340.364 3.547 20 0 EHADRM Cc1ccc(-c2nc(COc3ccc(C(=O)[O-])cc3C=O)co2)cc1 ZINC000738490602 599909604 /nfs/dbraw/zinc/90/96/04/599909604.db2.gz PKMVIMFUARZFEA-UHFFFAOYSA-N -1 0 337.331 3.740 20 0 EHADRM Cc1cccc(CC(=O)Oc2ccc(C(=O)[O-])cc2Br)c1 ZINC000738698789 599913013 /nfs/dbraw/zinc/91/30/13/599913013.db2.gz VMALLIHEKPVZIE-UHFFFAOYSA-N -1 0 349.180 3.604 20 0 EHADRM Cc1cc(NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])ccc1F ZINC000192922586 599913810 /nfs/dbraw/zinc/91/38/10/599913810.db2.gz CASIOBKKXYTADH-NSHDSACASA-N -1 0 333.384 3.952 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(OCCC(=O)[O-])cc1)c1ccccc1F ZINC000237599875 599913916 /nfs/dbraw/zinc/91/39/16/599913916.db2.gz MRTNAHKWAXDCES-ZDUSSCGKSA-N -1 0 345.370 3.812 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000237095198 599914180 /nfs/dbraw/zinc/91/41/80/599914180.db2.gz GPHWBCLVSVTFPW-ACCUITESSA-N -1 0 325.364 3.744 20 0 EHADRM Cc1nc(CC(C)C)sc1C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000341211682 599914819 /nfs/dbraw/zinc/91/48/19/599914819.db2.gz JKRGZIAAKFJYSX-UHFFFAOYSA-N -1 0 332.425 3.909 20 0 EHADRM Cc1ccc(-c2cc(C(=O)Nc3ccc(C(=O)[O-])c(C)c3)on2)cc1 ZINC000237709448 599915814 /nfs/dbraw/zinc/91/58/14/599915814.db2.gz IPBRUENKULGCHI-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM Cc1ccc(-c2csc(NC(=O)c3ccc(C(=O)[O-])nc3)n2)s1 ZINC000640286633 599918657 /nfs/dbraw/zinc/91/86/57/599918657.db2.gz PYZZRCOYOIJOMQ-UHFFFAOYSA-N -1 0 345.405 3.526 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)c2cc(F)ccc2F)c1 ZINC000238074554 599922527 /nfs/dbraw/zinc/92/25/27/599922527.db2.gz IOOOAYNDWYSCQB-UHFFFAOYSA-N -1 0 337.347 3.535 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000261614298 599933987 /nfs/dbraw/zinc/93/39/87/599933987.db2.gz FEJCRTDBYBHRRR-MOPGFXCFSA-N -1 0 337.419 3.829 20 0 EHADRM CSc1ccc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000193456258 599936167 /nfs/dbraw/zinc/93/61/67/599936167.db2.gz PVMMLDXFXCCNPL-INIZCTEOSA-N -1 0 329.421 3.744 20 0 EHADRM Cc1cc(NCC(=O)N[C@@H](C)c2ccc(Cl)cc2)ccc1C(=O)[O-] ZINC000738458059 599960535 /nfs/dbraw/zinc/96/05/35/599960535.db2.gz BOWRUUSCHZXDHI-LBPRGKRZSA-N -1 0 346.814 3.636 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@H](OC2CCCC2)c2ccccc2)o1 ZINC000740132758 599969273 /nfs/dbraw/zinc/96/92/73/599969273.db2.gz GAFTZVHVLPKGHB-QGZVFWFLSA-N -1 0 344.363 3.722 20 0 EHADRM Cc1cccc(NC(=O)Nc2cccc(CSCC(=O)[O-])c2)c1 ZINC000738735909 599987928 /nfs/dbraw/zinc/98/79/28/599987928.db2.gz WNNOTRYFDMSVTB-UHFFFAOYSA-N -1 0 330.409 3.957 20 0 EHADRM O=C([O-])c1coc(COC(=O)C[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000739215400 599996057 /nfs/dbraw/zinc/99/60/57/599996057.db2.gz ARTBIUVIOIDKKF-CYBMUJFWSA-N -1 0 342.269 3.757 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CCCCCc1cccs1)c1cccs1 ZINC000448987496 599996684 /nfs/dbraw/zinc/99/66/84/599996684.db2.gz BGMYPERSQUNEER-HNNXBMFYSA-N -1 0 337.466 3.855 20 0 EHADRM Cc1ccccc1OCCCOC(=O)c1cccc(NC(=O)[O-])c1 ZINC000738785479 599996833 /nfs/dbraw/zinc/99/68/33/599996833.db2.gz RSDYOWXSWRLNSJ-UHFFFAOYSA-N -1 0 329.352 3.711 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cc(F)c(F)cc2Cl)c1 ZINC000321541942 600000739 /nfs/dbraw/zinc/00/07/39/600000739.db2.gz HZSGULLJTDJNDD-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)OCc1ccc(C(=O)[O-])cc1 ZINC000738120549 600001897 /nfs/dbraw/zinc/00/18/97/600001897.db2.gz MSBKKEHFZFTBPM-ZDUSSCGKSA-N -1 0 328.364 3.630 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cc3ccccc3s2)c1 ZINC000321624601 600004502 /nfs/dbraw/zinc/00/45/02/600004502.db2.gz VVWXEUXXGCIUML-UHFFFAOYSA-N -1 0 327.361 3.860 20 0 EHADRM COc1ccccc1C(C)(C)NC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000738122164 600007893 /nfs/dbraw/zinc/00/78/93/600007893.db2.gz YRDIBGNOLMYFED-UHFFFAOYSA-N -1 0 342.395 3.759 20 0 EHADRM CC(C)(CNC(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccc(F)cc1 ZINC000736322109 600007933 /nfs/dbraw/zinc/00/79/33/600007933.db2.gz PBLQLYYNGQKBBR-UHFFFAOYSA-N -1 0 348.349 3.762 20 0 EHADRM CCc1ccc([C@H](NC(=O)NC2CCC(C(=O)[O-])CC2)C(C)C)cc1 ZINC000263043001 600012641 /nfs/dbraw/zinc/01/26/41/600012641.db2.gz QJNWKQSSFGAEQN-DAWZGUTISA-N -1 0 346.471 3.889 20 0 EHADRM Cc1cc(NC(=O)N2CCC(OC3CCCC3)CC2)ccc1C(=O)[O-] ZINC000738436750 600013465 /nfs/dbraw/zinc/01/34/65/600013465.db2.gz CZMNWAMYCGTWML-UHFFFAOYSA-N -1 0 346.427 3.649 20 0 EHADRM CCOc1cccc([C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000737211461 600014294 /nfs/dbraw/zinc/01/42/94/600014294.db2.gz URDACGDFQWYENF-CYBMUJFWSA-N -1 0 342.395 3.975 20 0 EHADRM COc1ccc(C)cc1[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000737976349 600017493 /nfs/dbraw/zinc/01/74/93/600017493.db2.gz SDZZTTUSXNOWQA-CYBMUJFWSA-N -1 0 342.395 3.893 20 0 EHADRM CC[C@H]1CCCN(C(=O)Nc2cccc(CSCC(=O)[O-])c2)C1 ZINC000736938241 600020892 /nfs/dbraw/zinc/02/08/92/600020892.db2.gz GEHSHYJLOYGRJY-ZDUSSCGKSA-N -1 0 336.457 3.658 20 0 EHADRM Cc1ccccc1CNC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000738773873 600022146 /nfs/dbraw/zinc/02/21/46/600022146.db2.gz YTVBLVOJNHVEJS-UHFFFAOYSA-N -1 0 344.436 3.635 20 0 EHADRM Cc1sc(NC(=O)N(C)[C@@H](C)c2cccc(O)c2)c(C(=O)[O-])c1C ZINC000738996204 600022278 /nfs/dbraw/zinc/02/22/78/600022278.db2.gz DFEWWILHXYHJII-JTQLQIEISA-N -1 0 348.424 3.994 20 0 EHADRM CCCC[C@H]1CCC[C@@H]1NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736985418 600023885 /nfs/dbraw/zinc/02/38/85/600023885.db2.gz OOEXKEMONIDLLM-GUYCJALGSA-N -1 0 330.428 3.769 20 0 EHADRM Cc1cccc(C[C@H](CNC(=O)Nc2cc(C)ccc2F)C(=O)[O-])c1 ZINC000738708862 600025981 /nfs/dbraw/zinc/02/59/81/600025981.db2.gz QCMLFBXADKBZPF-OAHLLOKOSA-N -1 0 344.386 3.508 20 0 EHADRM Cc1ccc(CCC(=O)Oc2cccc(CC(=O)[O-])c2)cc1Cl ZINC000738589181 600026597 /nfs/dbraw/zinc/02/65/97/600026597.db2.gz JXEFYPZNJJVAKQ-UHFFFAOYSA-N -1 0 332.783 3.814 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)c2ccc(SC(F)F)cc2)c1 ZINC000739888092 600027636 /nfs/dbraw/zinc/02/76/36/600027636.db2.gz KHJYKJHJQYKLCK-UHFFFAOYSA-N -1 0 338.331 3.848 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)Oc2cccc(CC(=O)[O-])c2)ccc1Cl ZINC000738464572 600028198 /nfs/dbraw/zinc/02/81/98/600028198.db2.gz HGKVQYZOSXEBCP-GFCCVEGCSA-N -1 0 348.782 3.648 20 0 EHADRM Cc1ccc2c(c1)[C@H](NC(=O)Nc1ccc(N(C)C(=O)[O-])cc1)CC2 ZINC000738297538 600032784 /nfs/dbraw/zinc/03/27/84/600032784.db2.gz LOYQJPUTCDTIMY-QGZVFWFLSA-N -1 0 339.395 3.918 20 0 EHADRM Cc1ccc2c(c1)[C@H](NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)CC2 ZINC000738664529 600032856 /nfs/dbraw/zinc/03/28/56/600032856.db2.gz FZPUDKWVJVIZIY-GOSISDBHSA-N -1 0 338.407 3.522 20 0 EHADRM C[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000237579418 600033829 /nfs/dbraw/zinc/03/38/29/600033829.db2.gz IFMKZNJCYLNGGM-GFCCVEGCSA-N -1 0 331.799 3.848 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000739472363 600038260 /nfs/dbraw/zinc/03/82/60/600038260.db2.gz SBDSXASOYFAPDA-UHFFFAOYSA-N -1 0 349.268 3.590 20 0 EHADRM C[C@@H](c1ccco1)N(C(=O)CCc1ccc(C(=O)[O-])cc1)C1CC1 ZINC000237620183 600041437 /nfs/dbraw/zinc/04/14/37/600041437.db2.gz QLXSGPVMGXFVQR-ZDUSSCGKSA-N -1 0 327.380 3.663 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1ccc(C(F)(F)F)cc1)C2 ZINC000326375628 600041908 /nfs/dbraw/zinc/04/19/08/600041908.db2.gz KRGKZCFCDJNRLV-UHFFFAOYSA-N -1 0 335.281 3.560 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Nc2ccc3scnc3c2)cc1 ZINC000739259422 600042485 /nfs/dbraw/zinc/04/24/85/600042485.db2.gz CNSVJXWIPPNQRO-UHFFFAOYSA-N -1 0 326.377 3.566 20 0 EHADRM Cc1ccccc1[C@H]1CCN(C(=O)CCc2ccc(C(=O)[O-])cc2)C1 ZINC000262581560 600043149 /nfs/dbraw/zinc/04/31/49/600043149.db2.gz FRQKECSHAWOKKN-SFHVURJKSA-N -1 0 337.419 3.642 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)CCSc1ccc(F)cc1)C2 ZINC000326461106 600046085 /nfs/dbraw/zinc/04/60/85/600046085.db2.gz QQQYBZDVQLLJGV-UHFFFAOYSA-N -1 0 345.395 3.549 20 0 EHADRM Cc1nc(-c2ccco2)ccc1C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000738838034 600047051 /nfs/dbraw/zinc/04/70/51/600047051.db2.gz LJSYZAAQZLMTID-UHFFFAOYSA-N -1 0 348.358 3.504 20 0 EHADRM O=C([O-])C1CCC(NC(=O)C2(c3cccc(Cl)c3)CCCC2)CC1 ZINC000262032597 600048512 /nfs/dbraw/zinc/04/85/12/600048512.db2.gz GZNPWTCXUGWKSR-UHFFFAOYSA-N -1 0 349.858 3.911 20 0 EHADRM Cc1cc(C)cc(C(=O)Nc2nc3nc(C)cc(C(=O)[O-])c3s2)c1 ZINC000738364445 600048727 /nfs/dbraw/zinc/04/87/27/600048727.db2.gz WGEKXZKLJWKGIL-UHFFFAOYSA-N -1 0 341.392 3.567 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)NC2CCC(C(=O)[O-])CC2)ccc1C(C)C ZINC000262685708 600050036 /nfs/dbraw/zinc/05/00/36/600050036.db2.gz YINIVKYKLRLXKO-QQFBHYJXSA-N -1 0 347.455 3.645 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OC(=O)c1cnc(-c2ccco2)s1 ZINC000738539080 600062547 /nfs/dbraw/zinc/06/25/47/600062547.db2.gz BYNAOTVXIYEZMZ-UHFFFAOYSA-N -1 0 329.333 3.629 20 0 EHADRM CC(C)Sc1ccc([C@H](C)NC(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC000236635398 600063665 /nfs/dbraw/zinc/06/36/65/600063665.db2.gz QAAGSLCBACISIQ-LBPRGKRZSA-N -1 0 344.436 3.771 20 0 EHADRM CCc1noc(C)c1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000362560745 600067724 /nfs/dbraw/zinc/06/77/24/600067724.db2.gz OGMRCEXROVZWCC-UHFFFAOYSA-N -1 0 348.424 3.506 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1[nH]c3ccccc3c1Cl)C2 ZINC000740199613 600071991 /nfs/dbraw/zinc/07/19/91/600071991.db2.gz UIJQDENQMZIELM-UHFFFAOYSA-N -1 0 340.766 3.676 20 0 EHADRM Cc1nc(C)c(F)c(Nc2cccc(CSCCC(=O)[O-])c2)n1 ZINC000738848775 600079733 /nfs/dbraw/zinc/07/97/33/600079733.db2.gz YULWSMPWUFRTLL-UHFFFAOYSA-N -1 0 335.404 3.684 20 0 EHADRM Cc1ccc(-c2cc(CN3Cc4ccc(C(=O)[O-])cc4C3)on2)cc1 ZINC000326842839 600082292 /nfs/dbraw/zinc/08/22/92/600082292.db2.gz NXKUUGAUNHALQL-UHFFFAOYSA-N -1 0 334.375 3.864 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)C2(c3ccccc3)CCC2)ccc1F ZINC000740005276 600089452 /nfs/dbraw/zinc/08/94/52/600089452.db2.gz FZEFWKBOSZJQRM-UHFFFAOYSA-N -1 0 328.343 3.976 20 0 EHADRM COc1ccc(Cl)cc1COC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000738013518 600093412 /nfs/dbraw/zinc/09/34/12/600093412.db2.gz KDKPBELUAQABNF-UHFFFAOYSA-N -1 0 348.782 3.723 20 0 EHADRM Cc1cc(-c2noc(CCc3ccc(C(=O)[O-])cc3)n2)ccc1F ZINC000738313884 600108658 /nfs/dbraw/zinc/10/86/58/600108658.db2.gz IIEWWEGYTOCQSD-UHFFFAOYSA-N -1 0 326.327 3.668 20 0 EHADRM CC(C)Sc1ccc([C@H](C)NC(=O)NCCCCC(=O)[O-])cc1 ZINC000666526468 600108897 /nfs/dbraw/zinc/10/88/97/600108897.db2.gz PWPORXSOQJDMJM-ZDUSSCGKSA-N -1 0 338.473 3.802 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccc(Cl)c(Cl)c1O)c1ccccc1 ZINC000740299708 600109998 /nfs/dbraw/zinc/10/99/98/600109998.db2.gz QLMXIAMWYMIORX-ZDUSSCGKSA-N -1 0 341.146 3.682 20 0 EHADRM CCOc1ccc(CN2Cc3ccc(C(=O)[O-])cc3C2)cc1OCC ZINC000737204905 600110723 /nfs/dbraw/zinc/11/07/23/600110723.db2.gz DBBPWEYCORFINC-UHFFFAOYSA-N -1 0 341.407 3.698 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)Nc1cccc3c1CCCC3)C2 ZINC000326890682 600111123 /nfs/dbraw/zinc/11/11/23/600111123.db2.gz AKHOOGASMVCDKU-UHFFFAOYSA-N -1 0 336.391 3.811 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)Nc1ccccc1OC(F)F)C2 ZINC000326859999 600111418 /nfs/dbraw/zinc/11/14/18/600111418.db2.gz TWRKEAHXDGNHLI-UHFFFAOYSA-N -1 0 348.305 3.534 20 0 EHADRM O=C([O-])c1ccc(-c2noc(-c3cccc(-n4cccc4)c3)n2)cc1 ZINC000740100586 600113200 /nfs/dbraw/zinc/11/32/00/600113200.db2.gz SIPQEKVVRZCKNA-UHFFFAOYSA-N -1 0 331.331 3.893 20 0 EHADRM Cc1cc(C)cc(OCCC(=O)OCc2ccc(F)cc2C(=O)[O-])c1 ZINC000738365290 600113602 /nfs/dbraw/zinc/11/36/02/600113602.db2.gz YZUUJPLMNPVSOI-UHFFFAOYSA-N -1 0 346.354 3.653 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)c1ccc2cc(O)ccc2c1 ZINC000740289143 600114039 /nfs/dbraw/zinc/11/40/39/600114039.db2.gz CPBHATYTSWRVES-UHFFFAOYSA-N -1 0 340.306 3.740 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)[C@H]1CCCc2ccccc21 ZINC000740077706 600114165 /nfs/dbraw/zinc/11/41/65/600114165.db2.gz GXQGZTMMMGNRNW-INIZCTEOSA-N -1 0 328.339 3.687 20 0 EHADRM CCOc1ccccc1CCc1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000737211374 600114296 /nfs/dbraw/zinc/11/42/96/600114296.db2.gz QLKHYYGHGODFAQ-UHFFFAOYSA-N -1 0 338.363 3.619 20 0 EHADRM O=C([O-])c1ccc(-c2noc(CNc3ccccc3Cl)n2)cc1 ZINC000740101950 600114341 /nfs/dbraw/zinc/11/43/41/600114341.db2.gz ZHFTUBDUZWKLEZ-UHFFFAOYSA-N -1 0 329.743 3.700 20 0 EHADRM Cc1ccc(OCCc2nc(-c3ccc(C(=O)[O-])cc3)no2)c(C)c1 ZINC000738648145 600114938 /nfs/dbraw/zinc/11/49/38/600114938.db2.gz CNCXROSWRHIRFY-UHFFFAOYSA-N -1 0 338.363 3.673 20 0 EHADRM Cc1cccc(C[C@@H](CNC(=O)Nc2ccc(F)c(C)c2)C(=O)[O-])c1 ZINC000738707035 600115109 /nfs/dbraw/zinc/11/51/09/600115109.db2.gz BQYQKPWETVLSIF-HNNXBMFYSA-N -1 0 344.386 3.508 20 0 EHADRM O=C([O-])c1ccc(-c2noc([C@H]3C[C@@H]3c3ccc(F)c(F)c3)n2)cc1 ZINC000740101505 600115148 /nfs/dbraw/zinc/11/51/48/600115148.db2.gz OQJZZGFFXIZJGS-OLZOCXBDSA-N -1 0 342.301 3.984 20 0 EHADRM C/C(=C/C(=O)OCc1ccc(F)cc1C(=O)[O-])c1ccc(F)cc1 ZINC000736121559 600116054 /nfs/dbraw/zinc/11/60/54/600116054.db2.gz NPNXFXFHMJRYAC-FLIBITNWSA-N -1 0 332.302 3.810 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)CCn2ccc3ccccc32)ccc1F ZINC000740007688 600123587 /nfs/dbraw/zinc/12/35/87/600123587.db2.gz ZLAWKIDHYDAGHU-UHFFFAOYSA-N -1 0 341.342 3.899 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2cc(-c3ccccc3)[nH]n2)ccc1F ZINC000740006417 600123707 /nfs/dbraw/zinc/12/37/07/600123707.db2.gz DPIBUIRIPYMINV-UHFFFAOYSA-N -1 0 340.314 3.558 20 0 EHADRM CC[C@](NC(=O)c1cnc(C(C)(C)C)s1)(C(=O)[O-])c1ccccc1 ZINC000485388933 600126440 /nfs/dbraw/zinc/12/64/40/600126440.db2.gz WSXZBLFHFXUBGL-GOSISDBHSA-N -1 0 346.452 3.561 20 0 EHADRM Cc1ccccc1-c1noc(CNc2ccc(F)c(NC(=O)[O-])c2)n1 ZINC000738755807 600127552 /nfs/dbraw/zinc/12/75/52/600127552.db2.gz DTPBYUIDKJHGSI-UHFFFAOYSA-N -1 0 342.330 3.886 20 0 EHADRM CC[C@](NC(=O)/C=C\c1ccc(Cl)s1)(C(=O)[O-])c1ccccc1 ZINC000736907093 600127833 /nfs/dbraw/zinc/12/78/33/600127833.db2.gz NNWBRUPAQVSOOK-FPISAVPCSA-N -1 0 349.839 3.921 20 0 EHADRM CC[C@](NC(=O)c1cc2cccc(C)c2o1)(C(=O)[O-])c1ccccc1 ZINC000485384700 600128514 /nfs/dbraw/zinc/12/85/14/600128514.db2.gz OYTLTZSODWAVJU-HXUWFJFHSA-N -1 0 337.375 3.861 20 0 EHADRM CC[C@](NC(=O)C[C@@H](C)c1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC000485370074 600132937 /nfs/dbraw/zinc/13/29/37/600132937.db2.gz ADRQNIKXQOYHEU-JLTOFOAXSA-N -1 0 343.398 3.826 20 0 EHADRM Cc1c(NC(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)cccc1C(=O)[O-] ZINC000738300884 600143107 /nfs/dbraw/zinc/14/31/07/600143107.db2.gz WUUMLLBUOWASTP-DLBZAZTESA-N -1 0 338.407 3.501 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)NC(C)(C)C(=O)[O-])c(F)c2)cc1C ZINC000237799945 600143366 /nfs/dbraw/zinc/14/33/66/600143366.db2.gz HAGFKTPFZYZTFI-UHFFFAOYSA-N -1 0 329.371 3.703 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000738965434 600145818 /nfs/dbraw/zinc/14/58/18/600145818.db2.gz FEDCGIOHBSGUPS-UHFFFAOYSA-N -1 0 343.310 3.573 20 0 EHADRM Cc1ccc([C@H](CNC(=O)C[C@H](C)c2ccc(F)cc2)C(=O)[O-])cc1 ZINC000486386523 600154312 /nfs/dbraw/zinc/15/43/12/600154312.db2.gz LCQFBFUPHFDTHA-KSSFIOAISA-N -1 0 343.398 3.612 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1cccc(C(F)F)c1 ZINC000738475813 600157273 /nfs/dbraw/zinc/15/72/73/600157273.db2.gz GFTQOCIPKWHHEJ-UHFFFAOYSA-N -1 0 335.306 3.648 20 0 EHADRM Cc1ccc([C@H](CNC(=O)c2sccc2C(C)C)C(=O)[O-])cc1 ZINC000486384457 600158959 /nfs/dbraw/zinc/15/89/59/600158959.db2.gz CTLIGKVFISMXNA-HNNXBMFYSA-N -1 0 331.437 3.778 20 0 EHADRM CC(C)[C@@H](SCc1ccccc1)C(=O)OCc1ccoc1C(=O)[O-] ZINC000736389402 600164188 /nfs/dbraw/zinc/16/41/88/600164188.db2.gz BYNADYIERKASNU-MRXNPFEDSA-N -1 0 348.420 3.979 20 0 EHADRM CCc1sc(C(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1C ZINC000486407840 600164300 /nfs/dbraw/zinc/16/43/00/600164300.db2.gz NHCSLZQOJWSSJG-CQSZACIVSA-N -1 0 331.437 3.526 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000261933625 600166739 /nfs/dbraw/zinc/16/67/39/600166739.db2.gz LRRZFGLIBNUJRB-UHFFFAOYSA-N -1 0 336.388 3.839 20 0 EHADRM Cc1cc(NC(=O)c2cc(C3CC3)nc3ccccc32)c(C(=O)[O-])[nH]1 ZINC000738448330 600168435 /nfs/dbraw/zinc/16/84/35/600168435.db2.gz HELLFZHMLCKJEK-UHFFFAOYSA-N -1 0 335.363 3.699 20 0 EHADRM C[C@@H](CNC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)C(C)(C)C ZINC000736598049 600179417 /nfs/dbraw/zinc/17/94/17/600179417.db2.gz FTWPXAQIIZHBNB-ZDUSSCGKSA-N -1 0 347.459 3.789 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccc1F)C(C)C ZINC000738784889 600181525 /nfs/dbraw/zinc/18/15/25/600181525.db2.gz BJPGORCUMIIKDJ-HNNXBMFYSA-N -1 0 345.374 3.746 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)Nc2ccc(CC(=O)[O-])cc2)c1C ZINC000738694344 600182467 /nfs/dbraw/zinc/18/24/67/600182467.db2.gz YVACYLFAULXTBI-CQSZACIVSA-N -1 0 326.396 3.813 20 0 EHADRM O=C([O-])CCCc1nc(CSc2ccc(F)c(Cl)c2)no1 ZINC000739702552 600186024 /nfs/dbraw/zinc/18/60/24/600186024.db2.gz NBWJTLILNJOPED-UHFFFAOYSA-N -1 0 330.768 3.562 20 0 EHADRM O=C([O-])c1ccc(C(=O)OCc2cc(Cl)nc(Cl)c2)s1 ZINC000740120423 600186384 /nfs/dbraw/zinc/18/63/84/600186384.db2.gz IEKIVRIJPUZZML-UHFFFAOYSA-N -1 0 332.164 3.505 20 0 EHADRM CCc1ccccc1NC(=S)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000737275584 600188801 /nfs/dbraw/zinc/18/88/01/600188801.db2.gz YXXUGVWMNYPTJL-CQSZACIVSA-N -1 0 326.421 3.634 20 0 EHADRM C[C@@H](CC(=O)OCc1ccc(F)cc1C(=O)[O-])c1ccc(F)cc1 ZINC000736556187 600193900 /nfs/dbraw/zinc/19/39/00/600193900.db2.gz KTOVIKFIUKCWBP-NSHDSACASA-N -1 0 334.318 3.900 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)CC[C@@H]1CCCCO1 ZINC000238012148 600194558 /nfs/dbraw/zinc/19/45/58/600194558.db2.gz JIVMGNTZLSGPEZ-HNNXBMFYSA-N -1 0 327.380 3.826 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC(c3ccccc3F)CC2)s1 ZINC000740104908 600198421 /nfs/dbraw/zinc/19/84/21/600198421.db2.gz CAIIWAWMOWPMLI-UHFFFAOYSA-N -1 0 333.384 3.605 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)c(F)c1 ZINC000261816772 600199298 /nfs/dbraw/zinc/19/92/98/600199298.db2.gz GWPOMKTUGALRHC-SCZZXKLOSA-N -1 0 333.281 3.831 20 0 EHADRM O=C([O-])c1ccc(NC(=O)/C=C/c2ccc3ccccc3n2)c(F)c1 ZINC000739216407 600199948 /nfs/dbraw/zinc/19/99/48/600199948.db2.gz QSZRYGVGYCXIBZ-CSKARUKUSA-N -1 0 336.322 3.724 20 0 EHADRM Cc1ccc(-c2nc(C(=O)Nc3ccc(C(=O)[O-])cc3F)cs2)o1 ZINC000343124029 600200163 /nfs/dbraw/zinc/20/01/63/600200163.db2.gz XLEVVBKXSPYJAN-UHFFFAOYSA-N -1 0 346.339 3.801 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2cc(-c3ccco3)on2)c1 ZINC000178246990 600202610 /nfs/dbraw/zinc/20/26/10/600202610.db2.gz NQEOJGXHJLXLBD-UHFFFAOYSA-N -1 0 332.699 3.539 20 0 EHADRM C[C@H](CC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)C(=O)c1ccccc1 ZINC000736549410 600202970 /nfs/dbraw/zinc/20/29/70/600202970.db2.gz VCIBYWWKTIMMBG-LLVKDONJSA-N -1 0 345.782 3.886 20 0 EHADRM CC1=C(C(=O)[O-])[C@H](c2cccc(F)c2)NC(=O)N1Cc1cccs1 ZINC000736750279 600205928 /nfs/dbraw/zinc/20/59/28/600205928.db2.gz JBSFHRQVZVRNBJ-HNNXBMFYSA-N -1 0 346.383 3.512 20 0 EHADRM Cc1ccc2c(c1)N(C(=O)Cn1cc(C(=O)[O-])c3ccccc31)CCC2 ZINC000738671570 600206899 /nfs/dbraw/zinc/20/68/99/600206899.db2.gz ZGGXSYRBFLMXRD-UHFFFAOYSA-N -1 0 348.402 3.627 20 0 EHADRM COc1ccc(NC(=O)C[C@@H](C)c2ccccc2C)c(C(=O)[O-])c1 ZINC000738027857 600207573 /nfs/dbraw/zinc/20/75/73/600207573.db2.gz IARVNQYNWWFSBN-CYBMUJFWSA-N -1 0 327.380 3.834 20 0 EHADRM Cc1ccc([C@H](CNC(=O)C[C@@H](C)c2cccc(F)c2)C(=O)[O-])cc1 ZINC000486389922 600212250 /nfs/dbraw/zinc/21/22/50/600212250.db2.gz YDJVHIQGIQMNES-KDOFPFPSSA-N -1 0 343.398 3.612 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1Oc1cc(C)nc(C2CC2)n1 ZINC000737880310 600213894 /nfs/dbraw/zinc/21/38/94/600213894.db2.gz YQDJCBHADRBEGG-XBXARRHUSA-N -1 0 326.352 3.561 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2cc(Cl)ccc2Cl)c2ccccc21 ZINC000177481190 600215182 /nfs/dbraw/zinc/21/51/82/600215182.db2.gz SLQRPUUQYXIOMW-GFCCVEGCSA-N -1 0 336.174 3.822 20 0 EHADRM CCCOc1ccccc1NC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000737034921 600230413 /nfs/dbraw/zinc/23/04/13/600230413.db2.gz VQSUZVYNIWNAEB-UHFFFAOYSA-N -1 0 328.368 3.747 20 0 EHADRM CC(=O)Nc1ccc(NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000736158984 600231706 /nfs/dbraw/zinc/23/17/06/600231706.db2.gz DTZJOPQXORXRHP-UHFFFAOYSA-N -1 0 346.318 3.518 20 0 EHADRM COc1cc(NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc(OC)c1 ZINC000737895414 600232230 /nfs/dbraw/zinc/23/22/30/600232230.db2.gz KMVQYQQUKOKGPK-UHFFFAOYSA-N -1 0 349.318 3.577 20 0 EHADRM CCCC(C)(C)NC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000736952358 600239781 /nfs/dbraw/zinc/23/97/81/600239781.db2.gz NSULCKSJQJWWBF-UHFFFAOYSA-N -1 0 333.432 3.685 20 0 EHADRM CC(C)(C)[C@@H]1CCCN(C(=O)Nc2ccc(CC(=O)[O-])cc2)CC1 ZINC000324720702 600240511 /nfs/dbraw/zinc/24/05/11/600240511.db2.gz YEMDSCXEILCFTA-OAHLLOKOSA-N -1 0 332.444 3.994 20 0 EHADRM O=C([O-])c1ccc(-c2noc([C@H]3C[C@@H]3c3c(F)cccc3F)n2)cc1 ZINC000740101666 600248649 /nfs/dbraw/zinc/24/86/49/600248649.db2.gz QQPPPWDYKBEZAE-RYUDHWBXSA-N -1 0 342.301 3.984 20 0 EHADRM Cc1ccc(NC(=O)c2cc3c(cc(F)cc3C)[nH]2)c(C(=O)[O-])c1 ZINC000738627513 600257531 /nfs/dbraw/zinc/25/75/31/600257531.db2.gz NZEOYXOMGQFDPK-UHFFFAOYSA-N -1 0 326.327 3.874 20 0 EHADRM CC[C@](NC(=O)c1cc2cc(C)ccc2[nH]1)(C(=O)[O-])c1ccccc1 ZINC000581859677 600259021 /nfs/dbraw/zinc/25/90/21/600259021.db2.gz CKLPFYJVHVRKLZ-HXUWFJFHSA-N -1 0 336.391 3.596 20 0 EHADRM CC(C)[C@H](Sc1ccccc1)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000531999958 600267392 /nfs/dbraw/zinc/26/73/92/600267392.db2.gz KCUADLUTAHXDJD-HOTGVXAUSA-N -1 0 347.480 3.517 20 0 EHADRM CN(C(=O)[O-])c1ccccc1C(=O)OCc1ccc2ccccc2n1 ZINC000737336305 600269408 /nfs/dbraw/zinc/26/94/08/600269408.db2.gz PIEDASAHHCCNCS-UHFFFAOYSA-N -1 0 336.347 3.706 20 0 EHADRM COC(=O)c1ccc2nc(SCc3cccc(C(=O)[O-])c3)oc2c1 ZINC000737708549 600278317 /nfs/dbraw/zinc/27/83/17/600278317.db2.gz NDUOGKLTCWYWIP-UHFFFAOYSA-N -1 0 343.360 3.605 20 0 EHADRM COc1cccc([C@@H](C)NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000738091583 600283932 /nfs/dbraw/zinc/28/39/32/600283932.db2.gz KCRQPVDBJMOWKJ-SNVBAGLBSA-N -1 0 348.786 3.930 20 0 EHADRM CN(Cc1ccc(NC(=O)c2sccc2C2CC2)cc1)C(=O)[O-] ZINC000737485714 600283997 /nfs/dbraw/zinc/28/39/97/600283997.db2.gz CJCXWKUKSOAERU-UHFFFAOYSA-N -1 0 330.409 3.988 20 0 EHADRM CN(Cc1ccc(NC(=O)c2cnc(C(C)(C)C)s2)cc1)C(=O)[O-] ZINC000737485259 600286894 /nfs/dbraw/zinc/28/68/94/600286894.db2.gz FLTIOVSBEQBMJW-UHFFFAOYSA-N -1 0 347.440 3.803 20 0 EHADRM CS[C@H]1CCC[C@H](NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC000390063856 600287634 /nfs/dbraw/zinc/28/76/34/600287634.db2.gz KUOHLRAQNQHEMS-AAEUAGOBSA-N -1 0 342.848 3.834 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N2CCc3ccccc3CC2)c1 ZINC000392464705 600289355 /nfs/dbraw/zinc/28/93/55/600289355.db2.gz PTKUQBVRPNVKLC-UHFFFAOYSA-N -1 0 344.798 3.671 20 0 EHADRM Cc1cccc(CSCC(=O)Nc2ccc(CNC(=O)[O-])cc2)c1 ZINC000738720634 600289469 /nfs/dbraw/zinc/28/94/69/600289469.db2.gz DIYGWAHVRFKKAK-UHFFFAOYSA-N -1 0 344.436 3.635 20 0 EHADRM Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)NCCCC(=O)[O-] ZINC000263207491 600293039 /nfs/dbraw/zinc/29/30/39/600293039.db2.gz IGRKFOZYSDCXKS-OAHLLOKOSA-N -1 0 346.452 3.504 20 0 EHADRM CCc1[nH]c(C(=O)NCC(C)(C)Cc2ccccc2)c(C)c1C(=O)[O-] ZINC000737239273 600298216 /nfs/dbraw/zinc/29/82/16/600298216.db2.gz AIAKHKYJVFTVCU-UHFFFAOYSA-N -1 0 342.439 3.582 20 0 EHADRM Cc1cc(F)cc2[nH]c(C(=O)Nc3ccc(CNC(=O)[O-])cc3)cc21 ZINC000738396801 600308635 /nfs/dbraw/zinc/30/86/35/600308635.db2.gz KVMLXRCCANQBHB-UHFFFAOYSA-N -1 0 341.342 3.635 20 0 EHADRM O=C([O-])[C@@H](OC(=O)Cc1c[nH]c2ccccc12)c1cccc(Cl)c1 ZINC000739338642 600320970 /nfs/dbraw/zinc/32/09/70/600320970.db2.gz LWIFCRFAUZSUBY-KRWDZBQOSA-N -1 0 343.766 3.733 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)c(O)c1 ZINC000736512288 600330697 /nfs/dbraw/zinc/33/06/97/600330697.db2.gz HALBYVSWVQFBPT-UHFFFAOYSA-N -1 0 342.395 3.878 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405408077 600333496 /nfs/dbraw/zinc/33/34/96/600333496.db2.gz VHAHUOXTFMGBRC-CQSZACIVSA-N -1 0 330.428 3.703 20 0 EHADRM C[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)C1CCCC1 ZINC000736645402 600334329 /nfs/dbraw/zinc/33/43/29/600334329.db2.gz DUVJKBJVOPZFKX-CYBMUJFWSA-N -1 0 345.443 3.685 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000736598566 600348158 /nfs/dbraw/zinc/34/81/58/600348158.db2.gz MKDSGYQXZJXKLR-GFCCVEGCSA-N -1 0 345.374 3.519 20 0 EHADRM CCC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736973963 600352489 /nfs/dbraw/zinc/35/24/89/600352489.db2.gz LDNKDOSAEDOXNU-GDBMZVCRSA-N -1 0 333.432 3.935 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(CNC(=O)[O-])cc1)C1CCCCC1 ZINC000736913745 600354452 /nfs/dbraw/zinc/35/44/52/600354452.db2.gz HCHQNIFKOUNDRD-MRXNPFEDSA-N -1 0 333.432 3.935 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(CNC(=O)[O-])cc2)c2ccccc21 ZINC000736809367 600356477 /nfs/dbraw/zinc/35/64/77/600356477.db2.gz FGNKMRLHMVVHQV-LBPRGKRZSA-N -1 0 325.368 3.610 20 0 EHADRM CN(CCCc1ccccc1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737440306 600357801 /nfs/dbraw/zinc/35/78/01/600357801.db2.gz DUEUOSPQLHAJFX-UHFFFAOYSA-N -1 0 341.411 3.551 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)OCCc1ccc2ccccc2c1 ZINC000736428946 600359666 /nfs/dbraw/zinc/35/96/66/600359666.db2.gz XRLGICYGAMHPNO-QGZVFWFLSA-N -1 0 329.396 3.608 20 0 EHADRM O=C([O-])Nc1ccc(CCNc2ccnc(-c3ccccc3)n2)cc1 ZINC000740025749 600363845 /nfs/dbraw/zinc/36/38/45/600363845.db2.gz WEZRKKYJIMQMJI-UHFFFAOYSA-N -1 0 334.379 3.888 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=S)Nc2ccccc2Cl)cc1 ZINC000740021273 600366662 /nfs/dbraw/zinc/36/66/62/600366662.db2.gz ZWBSBZMIJBVTLW-UHFFFAOYSA-N -1 0 349.843 3.959 20 0 EHADRM Cc1cc(NC(=O)c2sccc2Br)sc1C(=O)[O-] ZINC000111616635 600369480 /nfs/dbraw/zinc/36/94/80/600369480.db2.gz AJBIVBMPNNPDET-UHFFFAOYSA-N -1 0 346.227 3.831 20 0 EHADRM COc1cc(Cl)ccc1C(=O)Nc1cc(C)c(C(=O)[O-])s1 ZINC000043564781 600370268 /nfs/dbraw/zinc/37/02/68/600370268.db2.gz ZGKSZYPHSWZCSX-UHFFFAOYSA-N -1 0 325.773 3.669 20 0 EHADRM Cc1cc(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)sc1C(=O)[O-] ZINC000738449433 600372269 /nfs/dbraw/zinc/37/22/69/600372269.db2.gz XGHMRNVFHHRLMF-UHFFFAOYSA-N -1 0 347.440 3.836 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)sc1C(=O)[O-] ZINC000738233988 600372720 /nfs/dbraw/zinc/37/27/20/600372720.db2.gz FRGGZPYYPDSAQM-DTWKUNHWSA-N -1 0 337.347 3.775 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1 ZINC000737258152 600375426 /nfs/dbraw/zinc/37/54/26/600375426.db2.gz YKPNGCAQMLYLRJ-AXUOBQJMSA-N -1 0 343.467 3.987 20 0 EHADRM C[C@@H](C(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1)c1cccs1 ZINC000262430096 600375687 /nfs/dbraw/zinc/37/56/87/600375687.db2.gz RXNBHVLHFXBSSS-LLVKDONJSA-N -1 0 337.828 3.618 20 0 EHADRM CC[C@@](C)(NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000262508665 600376792 /nfs/dbraw/zinc/37/67/92/600376792.db2.gz ZVXZOUPCFTXXBK-MEBBXXQBSA-N -1 0 331.334 3.569 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)COc1ccc(Cl)cc1)c1ccccc1 ZINC000736853964 600378842 /nfs/dbraw/zinc/37/88/42/600378842.db2.gz WHPIUTZPAKYLFP-INIZCTEOSA-N -1 0 347.798 3.615 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccnc(Oc3ccccc3)c2)cc1 ZINC000740115330 600380796 /nfs/dbraw/zinc/38/07/96/600380796.db2.gz UDHFQISYPYRIMA-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM CCc1nc([C@@H](C)NC(=O)Nc2cccc(NC(=O)[O-])c2)cs1 ZINC000737277370 600380905 /nfs/dbraw/zinc/38/09/05/600380905.db2.gz UETHWWXOJGVSHF-SECBINFHSA-N -1 0 334.401 3.678 20 0 EHADRM O=C([O-])C1(NC(=O)c2ccc(OC3CCCCC3)cc2)CCCC1 ZINC000237976064 600381869 /nfs/dbraw/zinc/38/18/69/600381869.db2.gz GZQVDKZRKVYWEA-UHFFFAOYSA-N -1 0 331.412 3.525 20 0 EHADRM Cc1ccc(CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C2CC2)o1 ZINC000738592656 600384193 /nfs/dbraw/zinc/38/41/93/600384193.db2.gz LOMYJVUCSUAKDT-UHFFFAOYSA-N -1 0 332.331 3.622 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1cccc(-n2cccc2)c1)c1ccccc1 ZINC000736850517 600384913 /nfs/dbraw/zinc/38/49/13/600384913.db2.gz JRGGAKMKTOSMSC-LJQANCHMSA-N -1 0 348.402 3.987 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CC[C@H](c3cccc(F)c3)C2)ccc1F ZINC000740080093 600386971 /nfs/dbraw/zinc/38/69/71/600386971.db2.gz BXJXZCGTGKOUEQ-LBPRGKRZSA-N -1 0 346.333 3.684 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@@H]2CCc3cc(Cl)ccc32)ccc1F ZINC000739470488 600387938 /nfs/dbraw/zinc/38/79/38/600387938.db2.gz FROBRHWMYXFRMP-OAHLLOKOSA-N -1 0 348.761 3.986 20 0 EHADRM CCc1ccc([C@@H]2CCCN2C(=O)c2[nH]c(CC)c(C(=O)[O-])c2C)o1 ZINC000737258546 600390078 /nfs/dbraw/zinc/39/00/78/600390078.db2.gz HXODIKLLOOZNKL-AWEZNQCLSA-N -1 0 344.411 3.716 20 0 EHADRM CCOc1ccc([C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000737194649 600395063 /nfs/dbraw/zinc/39/50/63/600395063.db2.gz GTURSJGPQSESNX-LLVKDONJSA-N -1 0 346.358 3.805 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCC[C@H]2c2ccccc2)c(F)c1 ZINC000740147625 600397795 /nfs/dbraw/zinc/39/77/95/600397795.db2.gz NTVJPDGTEDAZJV-INIZCTEOSA-N -1 0 328.343 3.893 20 0 EHADRM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)NC(C)(C)CCC(=O)[O-] ZINC000237541475 600399307 /nfs/dbraw/zinc/39/93/07/600399307.db2.gz LTTRRJAZCVRFCF-LLVKDONJSA-N -1 0 345.361 3.644 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CC[C@@H](c3cccc(F)c3)C2)c(F)c1 ZINC000740148210 600399646 /nfs/dbraw/zinc/39/96/46/600399646.db2.gz SMCLXUBVCPBYBH-CYBMUJFWSA-N -1 0 346.333 3.684 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H]2CCc3cc(Cl)ccc32)c(F)c1 ZINC000739467191 600400689 /nfs/dbraw/zinc/40/06/89/600400689.db2.gz NZEZTBGUQSIFCB-AWEZNQCLSA-N -1 0 348.761 3.986 20 0 EHADRM Cc1ccc(CCCNC(=O)Nc2ccc(C(=O)[O-])cc2F)c(C)c1 ZINC000738589818 600401275 /nfs/dbraw/zinc/40/12/75/600401275.db2.gz XKVGHMVQAUQABG-UHFFFAOYSA-N -1 0 344.386 3.895 20 0 EHADRM C[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)CC1 ZINC000736788949 600404428 /nfs/dbraw/zinc/40/44/28/600404428.db2.gz IXWOUPVBQGIZJL-SNVBAGLBSA-N -1 0 342.342 3.640 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)NC2(C(=O)[O-])CCCCCC2)s1 ZINC000738464318 600406101 /nfs/dbraw/zinc/40/61/01/600406101.db2.gz GRSRBLOQRURWIL-UHFFFAOYSA-N -1 0 347.383 3.565 20 0 EHADRM CCCN(CCC)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000737021298 600408348 /nfs/dbraw/zinc/40/83/48/600408348.db2.gz ZCGBDQCGRYTFHH-UHFFFAOYSA-N -1 0 330.331 3.640 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)O[C@@H]1CCc2c1cccc2Cl ZINC000736428878 600422227 /nfs/dbraw/zinc/42/22/27/600422227.db2.gz WMCDZBQQTDFBIJ-ZIAGYGMSSA-N -1 0 325.792 3.553 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)O[C@H]1CCc2c1cccc2Cl ZINC000736428872 600422280 /nfs/dbraw/zinc/42/22/80/600422280.db2.gz WMCDZBQQTDFBIJ-KBPBESRZSA-N -1 0 325.792 3.553 20 0 EHADRM CCc1[nH]c(C(=O)N2CCC[C@@]3(CC=CCC3)C2)c(C)c1C(=O)[O-] ZINC000737241101 600424644 /nfs/dbraw/zinc/42/46/44/600424644.db2.gz JLSKQTMQYJIKHH-IBGZPJMESA-N -1 0 330.428 3.546 20 0 EHADRM O=C([O-])[C@H](Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(F)cc1 ZINC000739511253 600426395 /nfs/dbraw/zinc/42/63/95/600426395.db2.gz GEDHUDOKNLHROH-QZTJIDSGSA-N -1 0 345.370 3.621 20 0 EHADRM O=C([O-])[C@@H](Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(F)cc1 ZINC000739511254 600426398 /nfs/dbraw/zinc/42/63/98/600426398.db2.gz GEDHUDOKNLHROH-ROUUACIJSA-N -1 0 345.370 3.621 20 0 EHADRM CCS[C@@H]1CCCCN(C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000737228525 600435507 /nfs/dbraw/zinc/43/55/07/600435507.db2.gz BOXIPBMYQYCTOZ-CQSZACIVSA-N -1 0 336.457 3.833 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1nc(Cl)ccc1Cl)c1ccc(F)cc1 ZINC000740290591 600444191 /nfs/dbraw/zinc/44/41/91/600444191.db2.gz KBCSVBAOOKHIIJ-GFCCVEGCSA-N -1 0 344.125 3.510 20 0 EHADRM O=C([O-])[C@H](OC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000739217286 600445333 /nfs/dbraw/zinc/44/53/33/600445333.db2.gz YJXWTKFQNUTPSD-ZAFLOJKISA-N -1 0 334.730 3.861 20 0 EHADRM O=C([O-])[C@H](OC(=O)Cc1ccc2ccccc2c1)c1ccc(F)cc1 ZINC000739345644 600447616 /nfs/dbraw/zinc/44/76/16/600447616.db2.gz KKACECKNJREWMH-LJQANCHMSA-N -1 0 338.334 3.891 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccc2ccccc2c1O)c1ccc(F)cc1 ZINC000740291657 600448074 /nfs/dbraw/zinc/44/80/74/600448074.db2.gz NFYSBLKZSGCJIE-KRWDZBQOSA-N -1 0 340.306 3.667 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@@H]1CCCc2ccccc21)c1ccc(F)cc1 ZINC000740290479 600449798 /nfs/dbraw/zinc/44/97/98/600449798.db2.gz TVRFEHDWYNSTAX-IAGOWNOFSA-N -1 0 328.339 3.615 20 0 EHADRM CCCCO[C@H](C)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000736998765 600450497 /nfs/dbraw/zinc/45/04/97/600450497.db2.gz CIRYJBSTYXRKAJ-SNVBAGLBSA-N -1 0 327.446 3.888 20 0 EHADRM CC[C@@H](SCc1noc(CCC(=O)[O-])n1)c1ccc(F)cc1F ZINC000736928398 600453087 /nfs/dbraw/zinc/45/30/87/600453087.db2.gz IFJKFMXCEZSREE-GFCCVEGCSA-N -1 0 342.367 3.750 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736626886 600453724 /nfs/dbraw/zinc/45/37/24/600453724.db2.gz OZBVVVNSAQIKJK-BDJLRTHQSA-N -1 0 334.318 3.513 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)OCc1cn2cccc(C(=O)[O-])c2n1 ZINC000736903796 600453914 /nfs/dbraw/zinc/45/39/14/600453914.db2.gz BYUBBLNIYFTRPA-AWEZNQCLSA-N -1 0 344.411 3.682 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736622801 600453916 /nfs/dbraw/zinc/45/39/16/600453916.db2.gz VYGUHLIKWGDXMI-BZNIZROVSA-N -1 0 334.318 3.513 20 0 EHADRM CC/C(=C/C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000736833302 600455438 /nfs/dbraw/zinc/45/54/38/600455438.db2.gz BGOOUZMNKGXGKH-SQVRQVGWSA-N -1 0 328.339 3.988 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)NCc2coc3ccccc23)ccc1F ZINC000740007035 600457013 /nfs/dbraw/zinc/45/70/13/600457013.db2.gz GLWWCDOCMQAZPC-UHFFFAOYSA-N -1 0 343.314 3.984 20 0 EHADRM C[C@H]1CCC[C@@H](CCNC(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000736774094 600460071 /nfs/dbraw/zinc/46/00/71/600460071.db2.gz GFKTTYTZXHUCFC-HOCLYGCPSA-N -1 0 347.459 3.835 20 0 EHADRM CC(C)C[C@H]1CCCN1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736427576 600460990 /nfs/dbraw/zinc/46/09/90/600460990.db2.gz UXOKMZAFGQLFLM-MRXNPFEDSA-N -1 0 333.432 3.539 20 0 EHADRM Cc1c(NC(=O)N[C@H]2CSc3ccccc32)cccc1C(=O)[O-] ZINC000738304268 600463392 /nfs/dbraw/zinc/46/33/92/600463392.db2.gz MSKBKVXVOCUTEM-AWEZNQCLSA-N -1 0 328.393 3.662 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)N[C@H]2CSc3ccccc32)c1 ZINC000740043230 600463821 /nfs/dbraw/zinc/46/38/21/600463821.db2.gz RCAXIKKTAQTHAS-ZDUSSCGKSA-N -1 0 329.381 3.745 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)Nc1nc2ccsc2s1 ZINC000737470332 600465381 /nfs/dbraw/zinc/46/53/81/600465381.db2.gz IQFCYEAPJCDDKS-UHFFFAOYSA-N -1 0 347.421 3.720 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)C(C)C ZINC000738759471 600465739 /nfs/dbraw/zinc/46/57/39/600465739.db2.gz YNKMRVXYEROUCZ-GOSISDBHSA-N -1 0 340.423 3.890 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)Nc2ccc3oc4ccccc4c3c2)C1 ZINC000514663116 600472068 /nfs/dbraw/zinc/47/20/68/600472068.db2.gz TWIXUAZGAZWNHN-GFCCVEGCSA-N -1 0 338.363 3.915 20 0 EHADRM Cc1c(C(=O)NCc2ccc(C(=O)[O-])o2)sc2cccc(F)c12 ZINC000322247083 600475727 /nfs/dbraw/zinc/47/57/27/600475727.db2.gz KFJOPFWMCBHRON-UHFFFAOYSA-N -1 0 333.340 3.570 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2ccc(-c3ccc(F)cc3)s2)o1 ZINC000238133817 600477104 /nfs/dbraw/zinc/47/71/04/600477104.db2.gz LHZRTLRNUHTYMX-UHFFFAOYSA-N -1 0 345.351 3.775 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000237052159 600478400 /nfs/dbraw/zinc/47/84/00/600478400.db2.gz QXDRDSOTTWAINL-CQSZACIVSA-N -1 0 325.792 3.715 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000238180089 600479324 /nfs/dbraw/zinc/47/93/24/600479324.db2.gz NJFUJXFXWHOOIK-KGLIPLIRSA-N -1 0 333.746 3.920 20 0 EHADRM CO[C@](C)(C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000362391122 600479636 /nfs/dbraw/zinc/47/96/36/600479636.db2.gz VPEJRRFUCAZDPS-KRWDZBQOSA-N -1 0 333.771 3.539 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCOc2cccc(F)c2)cc1Cl ZINC000320423230 600479638 /nfs/dbraw/zinc/47/96/38/600479638.db2.gz GEMRENSEUGDHQM-UHFFFAOYSA-N -1 0 337.734 3.585 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2CCOc3ccccc32)cc1Cl ZINC000238174073 600480187 /nfs/dbraw/zinc/48/01/87/600480187.db2.gz LGXYIAAREJOYAW-GFCCVEGCSA-N -1 0 331.755 3.543 20 0 EHADRM CCOc1ccc(CC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000236918893 600481019 /nfs/dbraw/zinc/48/10/19/600481019.db2.gz BCIUZSMUQLTJNN-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM C[C@H]1CCC[C@@H](CC(=O)NCc2ccc(OCCCC(=O)[O-])cc2)C1 ZINC000237519129 600482134 /nfs/dbraw/zinc/48/21/34/600482134.db2.gz JLAINUMVENEHGB-DOTOQJQBSA-N -1 0 347.455 3.763 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1cccc(Nc2ccccc2)c1)C(=O)[O-] ZINC000339347161 600484014 /nfs/dbraw/zinc/48/40/14/600484014.db2.gz GCSGCMWULLKSPG-GUYCJALGSA-N -1 0 326.396 3.659 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@@H]2CCOc3ccccc32)cc1Cl ZINC000391982855 600511772 /nfs/dbraw/zinc/51/17/72/600511772.db2.gz PWEHWEYNNKYTJQ-CQSZACIVSA-N -1 0 346.770 3.684 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1)c1cccc(O)c1 ZINC000736648793 600512104 /nfs/dbraw/zinc/51/21/04/600512104.db2.gz LANJRJYNHSSPTQ-VIFPVBQESA-N -1 0 333.319 3.504 20 0 EHADRM C[C@@H](Cc1ccsc1)NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000314584806 600514386 /nfs/dbraw/zinc/51/43/86/600514386.db2.gz ADGPUERBJMKRTB-VIFPVBQESA-N -1 0 338.816 3.852 20 0 EHADRM CSCCCCC(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000738141217 600521639 /nfs/dbraw/zinc/52/16/39/600521639.db2.gz VZCHTCRBVIOSSI-UHFFFAOYSA-N -1 0 346.246 3.619 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000236714170 600523848 /nfs/dbraw/zinc/52/38/48/600523848.db2.gz SCUWNCVZZQFPJB-LJQANCHMSA-N -1 0 339.435 3.858 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736359165 600528008 /nfs/dbraw/zinc/52/80/08/600528008.db2.gz VRAFRAWDPJAPHZ-GOSISDBHSA-N -1 0 340.423 3.908 20 0 EHADRM Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N(C)C(=O)CCC(=O)[O-] ZINC000647143571 600529444 /nfs/dbraw/zinc/52/94/44/600529444.db2.gz BZIHJLKNTQOSFA-ZDUSSCGKSA-N -1 0 346.452 3.811 20 0 EHADRM Cc1ccc(NC(=O)[C@@H](NC(=O)[O-])C(C)C)cc1OCCC(C)C ZINC000738613395 600531537 /nfs/dbraw/zinc/53/15/37/600531537.db2.gz AQQQIJIZMXSMMD-INIZCTEOSA-N -1 0 336.432 3.651 20 0 EHADRM CC(C)(C)[C@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000736242309 600533450 /nfs/dbraw/zinc/53/34/50/600533450.db2.gz IMGWHTOFPTVTBC-CYBMUJFWSA-N -1 0 332.227 3.542 20 0 EHADRM C[C@H]1CCC[C@H](OCC(=O)Nc2ccc(Cl)cc2C(=O)[O-])C1 ZINC000736775416 600533837 /nfs/dbraw/zinc/53/38/37/600533837.db2.gz LZNQPBNARIAPNX-JQWIXIFHSA-N -1 0 325.792 3.572 20 0 EHADRM CC(C)[C@@H](c1ccccc1)N(C)C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000659758298 600534850 /nfs/dbraw/zinc/53/48/50/600534850.db2.gz PIURFWUQOACGLN-IBGZPJMESA-N -1 0 341.407 3.619 20 0 EHADRM CC(C)n1cc2cc(NC(=O)c3ccc(C(=O)[O-])s3)ccc2n1 ZINC000236800167 600537784 /nfs/dbraw/zinc/53/77/84/600537784.db2.gz WMZCLDLOXQKSHH-UHFFFAOYSA-N -1 0 329.381 3.629 20 0 EHADRM CC(C)[C@H](C)C(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC000736354786 600554534 /nfs/dbraw/zinc/55/45/34/600554534.db2.gz KTACOXGFXXLMRI-NSHDSACASA-N -1 0 332.425 3.668 20 0 EHADRM CCC[C@H](C)C(=O)N(Cc1ccoc1C(=O)[O-])[C@@H](C)c1ccccn1 ZINC000736960078 600555535 /nfs/dbraw/zinc/55/55/35/600555535.db2.gz VFQGLRMHFJPHDF-KBPBESRZSA-N -1 0 344.411 3.899 20 0 EHADRM O=C([O-])C1CCN(C(=O)Nc2cccc(Oc3ccccc3)c2)CC1 ZINC000261741492 600557045 /nfs/dbraw/zinc/55/70/45/600557045.db2.gz SWWCQJCNPWZEDS-UHFFFAOYSA-N -1 0 340.379 3.807 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)CSc1ccc2ccccc2c1 ZINC000236735198 600557952 /nfs/dbraw/zinc/55/79/52/600557952.db2.gz XUDLJQNGPUZLGX-UHFFFAOYSA-N -1 0 331.437 3.644 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000236746023 600561808 /nfs/dbraw/zinc/56/18/08/600561808.db2.gz YDZOIBUWZZHXIM-QZTJIDSGSA-N -1 0 325.408 3.655 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)CC(c1ccccc1)c1ccccc1 ZINC000236725321 600562862 /nfs/dbraw/zinc/56/28/62/600562862.db2.gz NUDQWQWIQZBXDO-UHFFFAOYSA-N -1 0 339.435 3.920 20 0 EHADRM C[C@H](Cc1ccccc1Cl)NC(=O)c1ccccc1NC(=O)[O-] ZINC000736626775 600570875 /nfs/dbraw/zinc/57/08/75/600570875.db2.gz NAQPINPYKOVFBM-LLVKDONJSA-N -1 0 332.787 3.791 20 0 EHADRM CC(C)c1ccc(OCCNC(=O)c2ccccc2NC(=O)[O-])cc1 ZINC000736520350 600571345 /nfs/dbraw/zinc/57/13/45/600571345.db2.gz DXGMMOHMJVQPOQ-UHFFFAOYSA-N -1 0 342.395 3.709 20 0 EHADRM C[C@H](CCC1CCCCC1)NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000736560908 600579261 /nfs/dbraw/zinc/57/92/61/600579261.db2.gz GATKAUBGZKMDHB-CQSZACIVSA-N -1 0 333.428 3.629 20 0 EHADRM COc1ccc(CS[C@@H](C)CC(=O)[O-])c(Br)c1OC ZINC000738011313 600586282 /nfs/dbraw/zinc/58/62/82/600586282.db2.gz WHHFZVAZBNSPEB-QMMMGPOBSA-N -1 0 349.246 3.563 20 0 EHADRM CN(C(=O)c1ccc(C(C)(C)C)cc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737337137 600594766 /nfs/dbraw/zinc/59/47/66/600594766.db2.gz VVIAYHXJSONEGS-KRWDZBQOSA-N -1 0 325.408 3.882 20 0 EHADRM C[C@H](CN(C)C(=O)C1(c2ccc(Cl)cc2)CCCCC1)C(=O)[O-] ZINC000736571332 600595338 /nfs/dbraw/zinc/59/53/38/600595338.db2.gz KWJUPHCNDZUGGM-CYBMUJFWSA-N -1 0 337.847 3.721 20 0 EHADRM C[C@@H](CSCc1cccc(C(=O)Nc2ccccc2)c1)C(=O)[O-] ZINC000736612768 600598406 /nfs/dbraw/zinc/59/84/06/600598406.db2.gz DSPYGQMDTZOEAC-ZDUSSCGKSA-N -1 0 329.421 3.893 20 0 EHADRM CN(C(=O)/C=C\Sc1ccccc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737314677 600600056 /nfs/dbraw/zinc/60/00/56/600600056.db2.gz RDLZFPZAKBUVLG-QOHRORDFSA-N -1 0 327.405 3.577 20 0 EHADRM C[C@@H](CSC[C@H](O)Cn1c2ccccc2c2ccccc21)C(=O)[O-] ZINC000736613013 600600420 /nfs/dbraw/zinc/60/04/20/600600420.db2.gz GIPFTAJFWVDLPT-UONOGXRCSA-N -1 0 343.448 3.609 20 0 EHADRM O=C([O-])CCCCNC(=O)NCC1(c2cccs2)CCCCC1 ZINC000666529187 600600545 /nfs/dbraw/zinc/60/05/45/600600545.db2.gz GZQNYMMGWLMEMG-UHFFFAOYSA-N -1 0 338.473 3.504 20 0 EHADRM CN(C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737333794 600602667 /nfs/dbraw/zinc/60/26/67/600602667.db2.gz NWILBLKDNOOSMT-CQSZACIVSA-N -1 0 338.190 3.891 20 0 EHADRM C[C@@H](CSCC(=O)Nc1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC000736612680 600602744 /nfs/dbraw/zinc/60/27/44/600602744.db2.gz AEGAICLNVLXRQA-ZDUSSCGKSA-N -1 0 345.420 3.871 20 0 EHADRM CN(C(=O)/C=C\c1ccc2ccccc2n1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737315561 600602952 /nfs/dbraw/zinc/60/29/52/600602952.db2.gz WOQZYGDFVGSHGJ-CLEWGBKMSA-N -1 0 346.386 3.532 20 0 EHADRM C[C@H](CS[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)C(=O)[O-] ZINC000736615146 600605052 /nfs/dbraw/zinc/60/50/52/600605052.db2.gz FZMWNAFOAQKTQV-RDBSUJKOSA-N -1 0 349.496 3.585 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C[C@@H]1CCc2ccccc21)c1cccs1 ZINC000675950422 600607794 /nfs/dbraw/zinc/60/77/94/600607794.db2.gz HNOMNEFKXJCATP-ZFWWWQNUSA-N -1 0 329.421 3.500 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N(C)[C@H](C)c3ccccn3)c12 ZINC000564658636 600610725 /nfs/dbraw/zinc/61/07/25/600610725.db2.gz HQCAOISUVMQDNC-SNVBAGLBSA-N -1 0 342.424 3.599 20 0 EHADRM Cc1ccc(C(=O)NCCCCCC(=O)[O-])cc1Oc1ccncc1 ZINC000738514957 600613684 /nfs/dbraw/zinc/61/36/84/600613684.db2.gz OVOJFNUEKOLHBN-UHFFFAOYSA-N -1 0 342.395 3.557 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N[C@](C)(C(=O)[O-])C3CC3)c(F)c2)cc1 ZINC000237715807 600614344 /nfs/dbraw/zinc/61/43/44/600614344.db2.gz OXTHPMHJAJIOKK-FQEVSTJZSA-N -1 0 341.382 3.784 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2ccccc2N2CCCCC2)cc1 ZINC000739878187 600616755 /nfs/dbraw/zinc/61/67/55/600616755.db2.gz BEDLXILXPUQTIH-UHFFFAOYSA-N -1 0 338.407 3.556 20 0 EHADRM CCOc1cc(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)ccc1C ZINC000737185392 600617127 /nfs/dbraw/zinc/61/71/27/600617127.db2.gz POPXWALHHJETJF-UHFFFAOYSA-N -1 0 335.306 3.622 20 0 EHADRM Cc1cccc(O[C@H](C)C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000322641331 600624238 /nfs/dbraw/zinc/62/42/38/600624238.db2.gz YBKGALXLNDVBLW-LLVKDONJSA-N -1 0 333.771 3.753 20 0 EHADRM CC(C)(C)CCCNC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000736249238 600625399 /nfs/dbraw/zinc/62/53/99/600625399.db2.gz SVGLHNJZPRRHSB-UHFFFAOYSA-N -1 0 338.473 3.952 20 0 EHADRM Cc1ccc(C[C@@H]2CCCN2C(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000237825272 600634916 /nfs/dbraw/zinc/63/49/16/600634916.db2.gz ZYYXPUPNNPFHME-AWEZNQCLSA-N -1 0 329.421 3.602 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)Nc1cccc(C(=O)[O-])c1)C(C)C ZINC000738786400 600641152 /nfs/dbraw/zinc/64/11/52/600641152.db2.gz PLDICOBHRDOISC-OAHLLOKOSA-N -1 0 327.384 3.607 20 0 EHADRM Cc1oc(CN(C)C(=O)NCC[C@H]2CCC[C@H](C)C2)cc1C(=O)[O-] ZINC000738967909 600648034 /nfs/dbraw/zinc/64/80/34/600648034.db2.gz SWHOQNJVYDDLJF-GXTWGEPZSA-N -1 0 336.432 3.644 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc2[nH]ccc2c1 ZINC000738524176 600652259 /nfs/dbraw/zinc/65/22/59/600652259.db2.gz BNNYFYWYMVAFBM-LBPRGKRZSA-N -1 0 337.379 3.614 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1C(F)(F)F ZINC000389950442 600653007 /nfs/dbraw/zinc/65/30/07/600653007.db2.gz NIAPWFGNCMFBQM-WDEREUQCSA-N -1 0 329.318 3.843 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N(Cc2ccco2)Cc2ccccc2)C1 ZINC000183964080 600653703 /nfs/dbraw/zinc/65/37/03/600653703.db2.gz HJALWASFWVTBKB-IRXDYDNUSA-N -1 0 341.407 3.699 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N(Cc2ccco2)Cc2cccs2)C1 ZINC000183962558 600655080 /nfs/dbraw/zinc/65/50/80/600655080.db2.gz QGMOXYBEFXYNLZ-UONOGXRCSA-N -1 0 347.436 3.761 20 0 EHADRM CCCN(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)[C@@H]1CCc2ccccc2C1 ZINC000499196894 600660836 /nfs/dbraw/zinc/66/08/36/600660836.db2.gz SJQGSQBZHQAJPI-CEXWTWQISA-N -1 0 343.467 3.674 20 0 EHADRM O=C([O-])c1cc(NCCOCCOc2ccccc2)ccc1Cl ZINC000740088597 600676474 /nfs/dbraw/zinc/67/64/74/600676474.db2.gz LGNTUJALWYEBHW-UHFFFAOYSA-N -1 0 335.787 3.546 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccncc1F)c1ccc(Cl)cc1Cl ZINC000833351815 600684541 /nfs/dbraw/zinc/68/45/41/600684541.db2.gz UXZMPIMXXWAZCW-LBPRGKRZSA-N -1 0 344.125 3.510 20 0 EHADRM Cc1ccc(OC(=O)Cn2cc(C(=O)[O-])c3ccccc32)c(Cl)c1 ZINC000738641985 600690951 /nfs/dbraw/zinc/69/09/51/600690951.db2.gz WWNPMNIBERDHFT-UHFFFAOYSA-N -1 0 343.766 3.907 20 0 EHADRM C[C@H](Cc1ccccc1F)c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000827592727 600696477 /nfs/dbraw/zinc/69/64/77/600696477.db2.gz TUKIZEJQRQUEHZ-LLVKDONJSA-N -1 0 326.327 3.920 20 0 EHADRM O=C([O-])c1cccc(-c2noc(COc3ccccc3Cl)n2)c1 ZINC000833327781 600700453 /nfs/dbraw/zinc/70/04/53/600700453.db2.gz FYTLUBGOFXRUMI-UHFFFAOYSA-N -1 0 330.727 3.667 20 0 EHADRM O=C([O-])c1cccc(-c2noc(CCCOc3cccc(F)c3)n2)c1 ZINC000833327803 600700484 /nfs/dbraw/zinc/70/04/84/600700484.db2.gz GPLKLIRBKYNEII-UHFFFAOYSA-N -1 0 342.326 3.586 20 0 EHADRM O=C([O-])CCCNC(=O)N(Cc1ccccc1F)C1CCCCC1 ZINC000263500681 600700619 /nfs/dbraw/zinc/70/06/19/600700619.db2.gz VJGHPMZHYWLQDE-UHFFFAOYSA-N -1 0 336.407 3.535 20 0 EHADRM O=C([O-])c1cccc(-c2noc(-c3cc(-c4ccccc4)no3)n2)c1 ZINC000833326443 600700602 /nfs/dbraw/zinc/70/06/02/600700602.db2.gz PHKLTYJFLFOXOS-UHFFFAOYSA-N -1 0 333.303 3.757 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000827428592 600721854 /nfs/dbraw/zinc/72/18/54/600721854.db2.gz YBOCQKHQBAORTH-PXAZEXFGSA-N -1 0 348.345 3.903 20 0 EHADRM CSC(C)(C)CNc1nc(C)nc2sc(C(=O)[O-])c(C)c21 ZINC000832735893 600731516 /nfs/dbraw/zinc/73/15/16/600731516.db2.gz MIWVXEBBNMWDMW-UHFFFAOYSA-N -1 0 325.459 3.560 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cccc(F)c1Cl)c1ccccc1F ZINC000833351598 600734229 /nfs/dbraw/zinc/73/42/29/600734229.db2.gz NTHKRWNUENGWKZ-CYBMUJFWSA-N -1 0 326.682 3.601 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2ccc(OC3CCC3)cc2)cc1 ZINC000833316241 600736468 /nfs/dbraw/zinc/73/64/68/600736468.db2.gz WRLQPPUUOZGLKP-UHFFFAOYSA-N -1 0 326.348 3.673 20 0 EHADRM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)NCCCCC(=O)[O-])cc1 ZINC000666563115 600744118 /nfs/dbraw/zinc/74/41/18/600744118.db2.gz SYWHQVFMEDWOJG-DLBZAZTESA-N -1 0 332.444 3.527 20 0 EHADRM O=C([O-])[C@@H](N[C@@H]1COc2ccccc21)c1ccc(Cl)cc1Cl ZINC000833167740 600745050 /nfs/dbraw/zinc/74/50/50/600745050.db2.gz PWCXBXMQDSHAPM-HIFRSBDPSA-N -1 0 338.190 3.842 20 0 EHADRM COc1cccc(F)c1[C@H](C)N[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000832558845 600755703 /nfs/dbraw/zinc/75/57/03/600755703.db2.gz QFEJBRMOQXQJHJ-MGPLVRAMSA-N -1 0 337.778 3.964 20 0 EHADRM O=C([O-])[C@@H](Nc1ccc(F)c(Br)c1)c1ccc(F)cc1 ZINC000833170261 600761668 /nfs/dbraw/zinc/76/16/68/600761668.db2.gz OWKLBIXLDPLYOC-ZDUSSCGKSA-N -1 0 342.139 3.965 20 0 EHADRM Cc1ccc2cccc(C(=O)Nc3cc(C(=O)[O-])c(F)cc3F)c2n1 ZINC000738675394 600768225 /nfs/dbraw/zinc/76/82/25/600768225.db2.gz MBJRYQQLQNEWRB-UHFFFAOYSA-N -1 0 342.301 3.772 20 0 EHADRM Cc1ccc2cccc(C(=O)Nc3ccc(CNC(=O)[O-])cc3)c2n1 ZINC000738675815 600773923 /nfs/dbraw/zinc/77/39/23/600773923.db2.gz SKLOMFXDDKMRJV-UHFFFAOYSA-N -1 0 335.363 3.563 20 0 EHADRM CC(C)(CC(=O)[O-])NC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl ZINC000736310501 600782521 /nfs/dbraw/zinc/78/25/21/600782521.db2.gz OQOZBEZONXHTSU-ZZXKWVIFSA-N -1 0 349.736 3.742 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2C[C@]23CCCc2ccccc23)c(F)c1 ZINC000833319089 600787099 /nfs/dbraw/zinc/78/70/99/600787099.db2.gz RFFJWJMACVPWCN-QRWLVFNGSA-N -1 0 339.366 3.757 20 0 EHADRM Cc1cc(F)cc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000776671338 600801332 /nfs/dbraw/zinc/80/13/32/600801332.db2.gz ATKAUMSUJCPMIY-OAHLLOKOSA-N -1 0 335.762 3.733 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(F)cc1F)c1cccc(Cl)c1 ZINC000833199947 600804745 /nfs/dbraw/zinc/80/47/45/600804745.db2.gz FLQIIMPJUXEKRJ-AWEZNQCLSA-N -1 0 339.725 3.564 20 0 EHADRM O=C([O-])c1ccc(OCCOc2cccnc2Cl)c(Cl)c1 ZINC000833322751 600804820 /nfs/dbraw/zinc/80/48/20/600804820.db2.gz SCBBRWOTUCCIEC-UHFFFAOYSA-N -1 0 328.151 3.544 20 0 EHADRM CSc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)o1 ZINC000776673405 600806726 /nfs/dbraw/zinc/80/67/26/600806726.db2.gz DODRDYMXDUOELQ-NSHDSACASA-N -1 0 339.800 3.601 20 0 EHADRM Cc1ccc2cccc(C(=O)O[C@@H](C)c3ccc(C(=O)[O-])o3)c2n1 ZINC000738675344 600808402 /nfs/dbraw/zinc/80/84/02/600808402.db2.gz KRJPQAPXMTWDOH-NSHDSACASA-N -1 0 325.320 3.752 20 0 EHADRM O=C([O-])c1ccc(CNCc2ccc(Br)cc2Cl)o1 ZINC000756285609 600809404 /nfs/dbraw/zinc/80/94/04/600809404.db2.gz KGPXCCOIAWISJB-UHFFFAOYSA-N -1 0 344.592 3.684 20 0 EHADRM Cc1cccc([C@@H](C)CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC000738690458 600809814 /nfs/dbraw/zinc/80/98/14/600809814.db2.gz KFRAOISUCIHPCD-LBPRGKRZSA-N -1 0 330.359 3.758 20 0 EHADRM CCc1[nH]c(C(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)c(C)c1C(=O)[O-] ZINC000830183319 600810339 /nfs/dbraw/zinc/81/03/39/600810339.db2.gz FTMFLHSVOMIGQK-BXUZGUMPSA-N -1 0 344.411 3.790 20 0 EHADRM COc1ccccc1[C@@]1(C)C[C@H]1Nc1nc(Cl)c(C(=O)[O-])s1 ZINC000832601362 600816410 /nfs/dbraw/zinc/81/64/10/600816410.db2.gz JJDNUWGKYFQXBU-MEBBXXQBSA-N -1 0 338.816 3.645 20 0 EHADRM C[C@@H](CC(=O)[O-])S[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000736550981 600818258 /nfs/dbraw/zinc/81/82/58/600818258.db2.gz IOLWWKBLSJVKMX-UWVGGRQHSA-N -1 0 340.832 3.971 20 0 EHADRM Cc1cc(NC(=O)c2cnc(-c3ccncc3)s2)sc1C(=O)[O-] ZINC000738238767 600826321 /nfs/dbraw/zinc/82/63/21/600826321.db2.gz CJQSAOSFUYJZPM-UHFFFAOYSA-N -1 0 345.405 3.526 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000740235837 600828853 /nfs/dbraw/zinc/82/88/53/600828853.db2.gz RLSWAEUOKBSDCA-DLBZAZTESA-N -1 0 327.424 3.880 20 0 EHADRM CC(C)OCCCN(C)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000563455190 600831856 /nfs/dbraw/zinc/83/18/56/600831856.db2.gz UGWMIPVXZWBWHY-UHFFFAOYSA-N -1 0 348.468 3.755 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OC(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000738542482 600832891 /nfs/dbraw/zinc/83/28/91/600832891.db2.gz ZIHMVUDQHBAPAW-STQMWFEESA-N -1 0 332.302 3.681 20 0 EHADRM Cc1occc1-c1nnc(S[C@H](C(=O)[O-])c2ccccc2F)o1 ZINC000833030524 600834032 /nfs/dbraw/zinc/83/40/32/600834032.db2.gz XTDNWOYYGQPIIK-LBPRGKRZSA-N -1 0 334.328 3.695 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccc3[nH]c(C4CCC4)nc3c2)C1 ZINC000179990842 600836753 /nfs/dbraw/zinc/83/67/53/600836753.db2.gz VSFBRIKEKNWCTQ-CHWSQXEVSA-N -1 0 341.411 3.660 20 0 EHADRM CC/C(=C\C(=O)N[C@H](Cc1ccccc1)C(=O)[O-])c1ccc(C)cc1 ZINC000736835588 600838849 /nfs/dbraw/zinc/83/88/49/600838849.db2.gz ODMZFFOLCTWIKD-DQSGYLJSSA-N -1 0 337.419 3.601 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2CCC[C@@H](C)C2)cc1 ZINC000237359929 600839021 /nfs/dbraw/zinc/83/90/21/600839021.db2.gz OLAWVMSZBVPFJX-INWMFGNUSA-N -1 0 335.469 3.867 20 0 EHADRM C[C@@H]1CN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C[C@@H](C)S1 ZINC000565104148 600839869 /nfs/dbraw/zinc/83/98/69/600839869.db2.gz NJTQJHJIAKOVMK-VXGBXAGGSA-N -1 0 348.493 3.834 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)c(F)c1 ZINC000479520937 600840083 /nfs/dbraw/zinc/84/00/83/600840083.db2.gz ZYWGCBBVFRFDTM-QWRGUYRKSA-N -1 0 335.281 3.544 20 0 EHADRM COC(=O)[C@@H](SC[C@H](C)C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000831083762 600840136 /nfs/dbraw/zinc/84/01/36/600840136.db2.gz BVCAFVLPWNXSDM-CPCISQLKSA-N -1 0 337.224 3.661 20 0 EHADRM CC[C@H]1C[C@@H](C)CN1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000829075344 600840257 /nfs/dbraw/zinc/84/02/57/600840257.db2.gz PSAWLKPFIMYSST-HIFRSBDPSA-N -1 0 345.443 3.637 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2c(F)cc(F)cc2F)c1 ZINC000317383517 600844317 /nfs/dbraw/zinc/84/43/17/600844317.db2.gz IVUHLYUCDIJOBL-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM CC(C)Sc1c(Cl)cccc1NC(=O)CCSCC(=O)[O-] ZINC000736499273 600845438 /nfs/dbraw/zinc/84/54/38/600845438.db2.gz AOKBHBMTLCAJQU-UHFFFAOYSA-N -1 0 347.889 3.987 20 0 EHADRM C[C@@]1(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)CCCc2ccccc21 ZINC000736728846 600849213 /nfs/dbraw/zinc/84/92/13/600849213.db2.gz SNXMEYJUIPYENQ-KSFYIVLOSA-N -1 0 349.430 3.886 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@@H](C)CCc1cccc(F)c1 ZINC000831913045 600849541 /nfs/dbraw/zinc/84/95/41/600849541.db2.gz JDUPKKHRAIEIBB-LBPRGKRZSA-N -1 0 346.354 3.707 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)C2(c3ccccc3)CCC2)c2ccccc21 ZINC000327230699 600854185 /nfs/dbraw/zinc/85/41/85/600854185.db2.gz XIAYAXBBOKNTHB-HNNXBMFYSA-N -1 0 335.403 3.713 20 0 EHADRM Cc1ccc(CCCC(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000738589827 600855284 /nfs/dbraw/zinc/85/52/84/600855284.db2.gz XPNXHOYNQUBGNP-QGZVFWFLSA-N -1 0 337.419 3.923 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000736626759 600856864 /nfs/dbraw/zinc/85/68/64/600856864.db2.gz MWCJAGSALCHSSI-ZFWWWQNUSA-N -1 0 341.382 3.609 20 0 EHADRM C[C@@]1(C(=O)Oc2ccc(NC(=O)[O-])cc2)CCc2ccccc2C1 ZINC000828042241 600862165 /nfs/dbraw/zinc/86/21/65/600862165.db2.gz UTZLQWPKSOMJBF-LJQANCHMSA-N -1 0 325.364 3.877 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)NC1CCC(C)(C)CC1)C(=O)[O-] ZINC000237370605 600865736 /nfs/dbraw/zinc/86/57/36/600865736.db2.gz ZYIXVEIPBFWSDY-GFCCVEGCSA-N -1 0 335.469 3.950 20 0 EHADRM CCc1ccc([C@H]2CCCCN2C(=O)c2cccc(C(=O)[O-])c2)o1 ZINC000737259070 600866188 /nfs/dbraw/zinc/86/61/88/600866188.db2.gz MAPUXZWCFGJPNL-MRXNPFEDSA-N -1 0 327.380 3.908 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000326577415 600870015 /nfs/dbraw/zinc/87/00/15/600870015.db2.gz AFCTYOGQCDVWGU-CHWSQXEVSA-N -1 0 333.428 3.822 20 0 EHADRM Cc1nc(C2CCCC2)sc1C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000237617469 600871145 /nfs/dbraw/zinc/87/11/45/600871145.db2.gz LLBNAAXDFRXFFH-AWEZNQCLSA-N -1 0 344.436 3.665 20 0 EHADRM C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000249305083 600872249 /nfs/dbraw/zinc/87/22/49/600872249.db2.gz MROALCHEDGPBSQ-JHJVBQTASA-N -1 0 346.452 3.707 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)C[C@@H]2CCC[C@@H](C)C2)c1OC ZINC000262461755 600875514 /nfs/dbraw/zinc/87/55/14/600875514.db2.gz IKINKGNNBIABII-VXGBXAGGSA-N -1 0 335.400 3.557 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H](C)c2ccc(C)o2)cc1 ZINC000832777500 600875624 /nfs/dbraw/zinc/87/56/24/600875624.db2.gz PIOGQCPYTMSORX-SWLSCSKDSA-N -1 0 347.436 3.746 20 0 EHADRM CCc1sc(C(=O)Nc2cc(C(=O)[O-])cc(OC)c2OC)cc1C ZINC000262560574 600876358 /nfs/dbraw/zinc/87/63/58/600876358.db2.gz YGAVCPZASSLPGT-UHFFFAOYSA-N -1 0 349.408 3.587 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1Br ZINC000111476982 600879268 /nfs/dbraw/zinc/87/92/68/600879268.db2.gz NFUUFUBONZQACW-WDEREUQCSA-N -1 0 340.217 3.587 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1cc(-c2ccccc2)ns1 ZINC000769480513 600882701 /nfs/dbraw/zinc/88/27/01/600882701.db2.gz JYAMYUUUGXQVNR-UHFFFAOYSA-N -1 0 332.425 3.575 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000192935652 600883422 /nfs/dbraw/zinc/88/34/22/600883422.db2.gz XLTZJFYVBYVVEQ-SUMWQHHRSA-N -1 0 341.382 3.609 20 0 EHADRM CCc1ccc(OCC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC000262157780 600883790 /nfs/dbraw/zinc/88/37/90/600883790.db2.gz GNRQUFNFLPTUPR-UHFFFAOYSA-N -1 0 341.407 3.629 20 0 EHADRM CCO[C@@H]1C[C@H](N(C)C(=O)c2cccc(C(=O)[O-])c2)C12CCCCC2 ZINC000236884722 600884475 /nfs/dbraw/zinc/88/44/75/600884475.db2.gz CRLJFPAXJVRLHA-DLBZAZTESA-N -1 0 345.439 3.585 20 0 EHADRM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C(=O)[O-])cc2)C12CCCCC2 ZINC000236868437 600884645 /nfs/dbraw/zinc/88/46/45/600884645.db2.gz HKSXDCXDCALYOR-IAGOWNOFSA-N -1 0 345.439 3.585 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H]2CCc2ccccc2)C1 ZINC000245726872 600896638 /nfs/dbraw/zinc/89/66/38/600896638.db2.gz PPWQPLHOSNFLII-KURKYZTESA-N -1 0 329.440 3.501 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)s1 ZINC000238015431 600896692 /nfs/dbraw/zinc/89/66/92/600896692.db2.gz YYLOIIHKPNHWJE-UHFFFAOYSA-N -1 0 348.811 3.554 20 0 EHADRM C[C@@H](CNC(=O)CCc1ccc(C(=O)[O-])cc1)Sc1ccccc1 ZINC000237540851 600902873 /nfs/dbraw/zinc/90/28/73/600902873.db2.gz HEZHHEJJJYZPMZ-AWEZNQCLSA-N -1 0 343.448 3.614 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000498663107 600910775 /nfs/dbraw/zinc/91/07/75/600910775.db2.gz ZPZZHZZXNUCTKD-HUUCEWRRSA-N -1 0 333.428 3.941 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2c(cccc2Cl)s1)c1ccccn1 ZINC000833126798 600917568 /nfs/dbraw/zinc/91/75/68/600917568.db2.gz QSTZHPMNRWXLRT-CQSZACIVSA-N -1 0 346.795 3.505 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C\C(=O)NC(CC)(CC)C(=O)[O-] ZINC000808520801 600924647 /nfs/dbraw/zinc/92/46/47/600924647.db2.gz YGYMMQPOJDMXLF-WUFNSSIPSA-N -1 0 333.428 3.637 20 0 EHADRM Cc1ccc(SCCC(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc1C ZINC000321530612 600925246 /nfs/dbraw/zinc/92/52/46/600925246.db2.gz MTBHTXUJUUBESE-OAHLLOKOSA-N -1 0 337.485 3.649 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2cccc(SC(F)F)c2)C1 ZINC000179996929 600926210 /nfs/dbraw/zinc/92/62/10/600926210.db2.gz TVNXLMIAFUYCDO-ZJUUUORDSA-N -1 0 329.368 3.831 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2scnc2-c2ccccc2)C1 ZINC000833186080 600927969 /nfs/dbraw/zinc/92/79/69/600927969.db2.gz FKDIWMPBOQENQU-CHWSQXEVSA-N -1 0 330.409 3.640 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1csc2ccccc21 ZINC000779429568 600936307 /nfs/dbraw/zinc/93/63/07/600936307.db2.gz PZLNOYAHCJYKQB-XQQFMLRXSA-N -1 0 331.437 3.970 20 0 EHADRM O=C([O-])c1ccccc1OC(=O)c1cccc(-c2cscn2)c1 ZINC000833354069 600938827 /nfs/dbraw/zinc/93/88/27/600938827.db2.gz GTJGLYANHDGGKB-UHFFFAOYSA-N -1 0 325.345 3.728 20 0 EHADRM CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)c1ccc(C(=O)[O-])s1 ZINC000826688464 600938938 /nfs/dbraw/zinc/93/89/38/600938938.db2.gz ZXBPDCXEKWXSQR-AWEZNQCLSA-N -1 0 349.427 3.925 20 0 EHADRM Cc1ccc(-c2ocnc2C(=O)OCc2cccc(C(=O)[O-])c2)cc1 ZINC000832909405 600944649 /nfs/dbraw/zinc/94/46/49/600944649.db2.gz CIAMMTGVLXTVHO-UHFFFAOYSA-N -1 0 337.331 3.705 20 0 EHADRM COC(=O)c1cc(NC(=O)C[C@@H](C)C2CCCCC2)ccc1C(=O)[O-] ZINC000831264686 600946571 /nfs/dbraw/zinc/94/65/71/600946571.db2.gz LYOBJSSRSMUUED-GFCCVEGCSA-N -1 0 347.411 3.716 20 0 EHADRM COc1ccc2c(c1)CCC[C@@H]2CC(=O)O[C@H](CC(C)C)C(=O)[O-] ZINC000832493727 600950651 /nfs/dbraw/zinc/95/06/51/600950651.db2.gz RHILQENQTBRJBC-RHSMWYFYSA-N -1 0 334.412 3.548 20 0 EHADRM CC(C)C[C@H](OC(=O)/C=C\c1ccccc1OC(F)(F)F)C(=O)[O-] ZINC000826812479 600953939 /nfs/dbraw/zinc/95/39/39/600953939.db2.gz IVJABMOJIXZBOJ-WSROAFLRSA-N -1 0 346.301 3.641 20 0 EHADRM CC(C)C[C@H](OC(=O)c1ccc(Br)cc1Cl)C(=O)[O-] ZINC000826821006 600955822 /nfs/dbraw/zinc/95/58/22/600955822.db2.gz WKLAJSXZJVZKIS-NSHDSACASA-N -1 0 349.608 3.759 20 0 EHADRM O=C([O-])C[C@H]1CN(Cc2ncc(-c3ccccc3)o2)c2ccccc21 ZINC000327162416 600958551 /nfs/dbraw/zinc/95/85/51/600958551.db2.gz IGCTVCBWKLJKKE-HNNXBMFYSA-N -1 0 334.375 3.920 20 0 EHADRM O=C([O-])C[C@@H]1CN(Cc2ccc(OC(F)F)cc2)c2ccccc21 ZINC000739653096 600961790 /nfs/dbraw/zinc/96/17/90/600961790.db2.gz GSYWDPRJAMRVJU-CYBMUJFWSA-N -1 0 333.334 3.867 20 0 EHADRM Cc1nc(C)c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)o1 ZINC000141265572 600964477 /nfs/dbraw/zinc/96/44/77/600964477.db2.gz OAWPLKCDVYAYDC-HNNXBMFYSA-N -1 0 344.411 3.535 20 0 EHADRM O=C([O-])c1cnc(NC(=O)C2CCC(c3ccccc3)CC2)s1 ZINC000833338086 600967766 /nfs/dbraw/zinc/96/77/66/600967766.db2.gz RNXSIFFYXLDKRR-UHFFFAOYSA-N -1 0 330.409 3.754 20 0 EHADRM C[C@@H](c1ccc(C(=O)[O-])o1)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000652423576 600971816 /nfs/dbraw/zinc/97/18/16/600971816.db2.gz JPCLNHGWNCDYRF-PEBVRCNWSA-N -1 0 333.359 3.640 20 0 EHADRM Cc1nnc(SCc2csc(-c3cccc(C(=O)[O-])c3)n2)s1 ZINC000738932641 600983613 /nfs/dbraw/zinc/98/36/13/600983613.db2.gz VUJPVEROLPVSSB-UHFFFAOYSA-N -1 0 349.462 3.961 20 0 EHADRM O=C([O-])c1ccc(CSc2n[nH]c(-c3ccc4c(c3)CCC4)n2)o1 ZINC000740135981 600992431 /nfs/dbraw/zinc/99/24/31/600992431.db2.gz LUZWQTLFKPNCCA-UHFFFAOYSA-N -1 0 341.392 3.544 20 0 EHADRM O=C([O-])[C@@H](N[C@H](c1nccs1)c1ccccc1)c1ccccc1F ZINC000833168702 600994031 /nfs/dbraw/zinc/99/40/31/600994031.db2.gz ZITUCDJZCNCTML-HOTGVXAUSA-N -1 0 342.395 3.787 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000094704861 600994098 /nfs/dbraw/zinc/99/40/98/600994098.db2.gz OCJLVGPTLFTAKZ-VIFPVBQESA-N -1 0 333.215 3.862 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)Nc1ccccc1F)c1cccc(Cl)c1 ZINC000833199035 600995223 /nfs/dbraw/zinc/99/52/23/600995223.db2.gz NSPLHVGBIPHPQQ-CQSZACIVSA-N -1 0 336.750 3.817 20 0 EHADRM Cc1nc(NC(=O)CCc2c[nH]c3ccc(C)cc23)sc1C(=O)[O-] ZINC000832958665 600995933 /nfs/dbraw/zinc/99/59/33/600995933.db2.gz GGPQSQNTQNNBHP-UHFFFAOYSA-N -1 0 343.408 3.511 20 0 EHADRM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1cccs1)c1cccc(Cl)c1 ZINC000678976875 600999647 /nfs/dbraw/zinc/99/96/47/600999647.db2.gz JUWDAVQWRQOMKR-MFKMUULPSA-N -1 0 337.828 3.837 20 0 EHADRM Cc1ccc(-c2ocnc2C(=O)N2CCc3cc(C(=O)[O-])ccc32)cc1 ZINC000738494437 601000027 /nfs/dbraw/zinc/00/00/27/601000027.db2.gz KEUGVGACYYICSQ-UHFFFAOYSA-N -1 0 348.358 3.551 20 0 EHADRM Cc1c(NC(=O)[C@H]2CCSc3ccccc32)cccc1C(=O)[O-] ZINC000738299116 601001311 /nfs/dbraw/zinc/00/13/11/601001311.db2.gz IOEFJSQBPXNXHE-AWEZNQCLSA-N -1 0 327.405 3.911 20 0 EHADRM CC[C@@](NCc1coc(-c2ccccc2)n1)(C(=O)[O-])c1ccccc1 ZINC000828988908 601003562 /nfs/dbraw/zinc/00/35/62/601003562.db2.gz JPJCUAHJECIVJF-FQEVSTJZSA-N -1 0 336.391 3.821 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)[C@H](C)c1cccc(F)c1)C(=O)[O-] ZINC000485745004 601007070 /nfs/dbraw/zinc/00/70/70/601007070.db2.gz QPVGKLUZABDSQR-HUUCEWRRSA-N -1 0 343.398 3.679 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)[C@@H](C)c1cccc(F)c1)C(=O)[O-] ZINC000485745002 601007408 /nfs/dbraw/zinc/00/74/08/601007408.db2.gz QPVGKLUZABDSQR-CABCVRRESA-N -1 0 343.398 3.679 20 0 EHADRM CO[C@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000831511036 601007795 /nfs/dbraw/zinc/00/77/95/601007795.db2.gz OIYJZLMINKQLQM-OAHLLOKOSA-N -1 0 348.786 3.547 20 0 EHADRM C[C@]1(c2ccccc2)C[C@H]1NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000828123238 601013858 /nfs/dbraw/zinc/01/38/58/601013858.db2.gz VMQCDCUNGJWITB-CRAIPNDOSA-N -1 0 344.798 3.890 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)ccc1Cl ZINC000833158632 601014598 /nfs/dbraw/zinc/01/45/98/601014598.db2.gz LTLPVMNEOQAYPJ-BLLLJJGKSA-N -1 0 344.798 3.791 20 0 EHADRM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000828122344 601023313 /nfs/dbraw/zinc/02/33/13/601023313.db2.gz OTZZUGDUEXFKMN-YJBOKZPZSA-N -1 0 325.368 3.628 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)c1cccc(OC2CCCC2)c1 ZINC000739896209 601024262 /nfs/dbraw/zinc/02/42/62/601024262.db2.gz OUMFLBRUPOLTOT-UHFFFAOYSA-N -1 0 340.375 3.854 20 0 EHADRM C[C@@H](C(=O)N(CCC(=O)[O-])c1cccc(F)c1)c1ccccc1F ZINC000736199257 601025075 /nfs/dbraw/zinc/02/50/75/601025075.db2.gz HSROEGDVTUMJDU-GFCCVEGCSA-N -1 0 333.334 3.576 20 0 EHADRM CC(C)(CC(=O)[O-])NC(=O)C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000736310882 601025265 /nfs/dbraw/zinc/02/52/65/601025265.db2.gz YNCZEUNGOMLDKX-GOSISDBHSA-N -1 0 339.435 3.773 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000391664771 601029928 /nfs/dbraw/zinc/02/99/28/601029928.db2.gz MCEUNDIFHWHLAO-ZIAGYGMSSA-N -1 0 336.432 3.732 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)N[C@H]2C[C@@H]2Cc2ccccc2)cc1 ZINC000830514090 601030068 /nfs/dbraw/zinc/03/00/68/601030068.db2.gz MJWFZZZZIKBQIG-YOEHRIQHSA-N -1 0 339.395 3.554 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)N[C@@H](CC2CC2)c2ccccc2)cc1 ZINC000833266409 601033434 /nfs/dbraw/zinc/03/34/34/601033434.db2.gz NTAUWSLLKNXFLE-SFHVURJKSA-N -1 0 338.407 3.977 20 0 EHADRM CC(C)c1ccc(C(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)cc1 ZINC000736513696 601039293 /nfs/dbraw/zinc/03/92/93/601039293.db2.gz WOVGZSLJEUWVBF-UHFFFAOYSA-N -1 0 330.409 3.774 20 0 EHADRM Cc1cc(NC(=O)NC[C@@H](C)Sc2ccccc2)ccc1C(=O)[O-] ZINC000832895388 601040944 /nfs/dbraw/zinc/04/09/44/601040944.db2.gz VPVJIWYIOCJXPD-CYBMUJFWSA-N -1 0 344.436 3.996 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)cc1 ZINC000833282366 601053447 /nfs/dbraw/zinc/05/34/47/601053447.db2.gz VZGFEVVFUIKRIZ-IJEWVQPXSA-N -1 0 331.416 3.545 20 0 EHADRM Cc1[nH]c(C(=O)CN2CC[C@@H](C)C[C@H]2c2ccco2)c(C)c1C(=O)[O-] ZINC000832844049 601053799 /nfs/dbraw/zinc/05/37/99/601053799.db2.gz LNPAJOPXGAIQAP-RISCZKNCSA-N -1 0 344.411 3.579 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cc(Oc3ccccc3)ccn2)c1 ZINC000431645704 601057993 /nfs/dbraw/zinc/05/79/93/601057993.db2.gz RLRVBYFHPRQVCZ-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)c1ccc(N2CCCCC2)cc1 ZINC000833269674 601059632 /nfs/dbraw/zinc/05/96/32/601059632.db2.gz STEKLWXWZBCNMH-UHFFFAOYSA-N -1 0 339.391 3.523 20 0 EHADRM C[C@H](CN(C)C(=O)C[C@H](Cc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000262928395 601061659 /nfs/dbraw/zinc/06/16/59/601061659.db2.gz GBWHZCZZEQCRAP-APWZRJJASA-N -1 0 339.435 3.582 20 0 EHADRM CN1CCN(C(=O)c2cccc(NC(=O)[O-])c2)c2cc(Cl)ccc21 ZINC000830950828 601062067 /nfs/dbraw/zinc/06/20/67/601062067.db2.gz RMFNSOQJPFMVOJ-UHFFFAOYSA-N -1 0 345.786 3.527 20 0 EHADRM O=C([O-])[C@@H](OC(=O)Cc1ccsc1)c1ccc(Cl)cc1Cl ZINC000833119949 601064093 /nfs/dbraw/zinc/06/40/93/601064093.db2.gz JXNPVPQYWYXTQZ-ZDUSSCGKSA-N -1 0 345.203 3.967 20 0 EHADRM CCC(CC)c1cc(CNC(=O)c2ccccc2NC(=O)[O-])on1 ZINC000736906055 601064720 /nfs/dbraw/zinc/06/47/20/601064720.db2.gz XDOOMNVYYJPUTH-UHFFFAOYSA-N -1 0 331.372 3.598 20 0 EHADRM O=C([O-])[C@H](OC(=O)CCc1ccccc1Cl)c1ccccc1F ZINC000833102906 601066215 /nfs/dbraw/zinc/06/62/15/601066215.db2.gz WEJQXTLURSCYJW-MRXNPFEDSA-N -1 0 336.746 3.781 20 0 EHADRM CCC[C@@H](C(=O)NC[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000262466831 601068257 /nfs/dbraw/zinc/06/82/57/601068257.db2.gz JAMQKZRJVNXSIO-QZTJIDSGSA-N -1 0 325.408 3.555 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000387382439 601074600 /nfs/dbraw/zinc/07/46/00/601074600.db2.gz UXIRMPLHZPRGRM-CYBMUJFWSA-N -1 0 338.190 3.592 20 0 EHADRM O=C([O-])c1ccc(OCCOC(=O)c2ccc(Cl)o2)c(Cl)c1 ZINC000833322754 601075027 /nfs/dbraw/zinc/07/50/27/601075027.db2.gz SDINFKRSPUGEKS-UHFFFAOYSA-N -1 0 345.134 3.520 20 0 EHADRM COCc1ccc(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)cc1 ZINC000831812897 601077517 /nfs/dbraw/zinc/07/75/17/601077517.db2.gz FUAXWBYNUYPFFY-UHFFFAOYSA-N -1 0 348.424 3.538 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000262171366 601079084 /nfs/dbraw/zinc/07/90/84/601079084.db2.gz NWUFDUARMNQTJU-DLBZAZTESA-N -1 0 343.448 3.542 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)c1cnc(C2CC2)s1 ZINC000621581613 601082406 /nfs/dbraw/zinc/08/24/06/601082406.db2.gz VJUHZMGIEUMUIO-KBPBESRZSA-N -1 0 348.468 3.516 20 0 EHADRM CSCc1cc(C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)ccc1F ZINC000776620855 601083694 /nfs/dbraw/zinc/08/36/94/601083694.db2.gz YKFDHWZYYGLFLU-MRXNPFEDSA-N -1 0 347.411 3.587 20 0 EHADRM CCn1c(C)cc(C(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c1C ZINC000830407913 601090861 /nfs/dbraw/zinc/09/08/61/601090861.db2.gz FKRBZHGWYQOWPG-FUHWJXTLSA-N -1 0 346.471 3.620 20 0 EHADRM Cc1nc(-c2cccnc2)nc(NCCc2ccc(C(=O)[O-])cc2)c1C ZINC000738838014 601092703 /nfs/dbraw/zinc/09/27/03/601092703.db2.gz JORLURVBFYSJEX-UHFFFAOYSA-N -1 0 348.406 3.508 20 0 EHADRM C[C@H](C(=O)N1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-])c1ccsc1 ZINC000825978012 601093100 /nfs/dbraw/zinc/09/31/00/601093100.db2.gz VKTDDXTXEYGQRX-RCBQFDQVSA-N -1 0 335.469 3.734 20 0 EHADRM Cc1cc(NC(=O)N2CCC(CC(=O)[O-])CC2)ccc1C(F)(F)F ZINC000832895518 601101104 /nfs/dbraw/zinc/10/11/04/601101104.db2.gz YLAINDIQEZAMPQ-UHFFFAOYSA-N -1 0 344.333 3.732 20 0 EHADRM O=C([O-])[C@H](OC(=O)CC[C@H]1CCCO1)c1ccc(Cl)cc1Cl ZINC000833096846 601103086 /nfs/dbraw/zinc/10/30/86/601103086.db2.gz XBHZEBAYKVIUPW-QMTHXVAHSA-N -1 0 347.194 3.622 20 0 EHADRM Cc1ccccc1-c1cnc(COC(=O)c2cccc(C(=O)[O-])c2)o1 ZINC000832975302 601111137 /nfs/dbraw/zinc/11/11/37/601111137.db2.gz TYTCUOWJHBSBPX-UHFFFAOYSA-N -1 0 337.331 3.705 20 0 EHADRM C/C(=C/C(=O)O[C@H](C(=O)[O-])c1ccccc1F)c1ccc(F)cc1 ZINC000825723890 601122283 /nfs/dbraw/zinc/12/22/83/601122283.db2.gz CYDZNCSMRUNNBB-MQNTZWLQSA-N -1 0 332.302 3.737 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccccc2N2CCCCC2)C1 ZINC000392151545 601125612 /nfs/dbraw/zinc/12/56/12/601125612.db2.gz LIDSBDREXFLFSY-GJZGRUSLSA-N -1 0 330.428 3.506 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccc(C(=O)C(C)(C)C)cc1)C(=O)[O-] ZINC000424384891 601137062 /nfs/dbraw/zinc/13/70/62/601137062.db2.gz SJIUWENOSZAFEO-CQSZACIVSA-N -1 0 348.443 3.784 20 0 EHADRM Cc1ccc(NC(=O)N2CCC(c3nccs3)CC2)cc1C(=O)[O-] ZINC000832946677 601139817 /nfs/dbraw/zinc/13/98/17/601139817.db2.gz YNMVCQMBNRSKCC-UHFFFAOYSA-N -1 0 345.424 3.561 20 0 EHADRM Cc1nc(CCCC(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)cs1 ZINC000832997498 601142384 /nfs/dbraw/zinc/14/23/84/601142384.db2.gz FFFXFKHUGKELGC-NSHDSACASA-N -1 0 333.409 3.777 20 0 EHADRM CC[C@@H](C)[C@H](C)N(C(=O)NCc1ccc(OC)c(C(=O)[O-])c1)C1CC1 ZINC000828706877 601148461 /nfs/dbraw/zinc/14/84/61/601148461.db2.gz BABAGMNRHQODOK-OLZOCXBDSA-N -1 0 348.443 3.502 20 0 EHADRM Cc1ccc(CCCC(=O)N[C@@H](CC(=O)[O-])c2cccs2)s1 ZINC000237695956 601148573 /nfs/dbraw/zinc/14/85/73/601148573.db2.gz QNMSRDDFKORWQJ-ZDUSSCGKSA-N -1 0 337.466 3.773 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)OCc2ccc(SC(F)F)cc2)C1 ZINC000833190193 601150744 /nfs/dbraw/zinc/15/07/44/601150744.db2.gz WJYLIDHFDTUEMI-NEPJUHHUSA-N -1 0 344.379 3.936 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)OCc2ccc(SC(F)F)cc2)C1 ZINC000833190196 601150870 /nfs/dbraw/zinc/15/08/70/601150870.db2.gz WJYLIDHFDTUEMI-VXGBXAGGSA-N -1 0 344.379 3.936 20 0 EHADRM Cc1ccc(CCCC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)s1 ZINC000262112156 601151800 /nfs/dbraw/zinc/15/18/00/601151800.db2.gz KEFXPNOWEDBVOI-INIZCTEOSA-N -1 0 349.427 3.851 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2nc(-c3ccccc3F)cs2)C1 ZINC000833187745 601152562 /nfs/dbraw/zinc/15/25/62/601152562.db2.gz SXBOXKURHQCEPS-GHMZBOCLSA-N -1 0 348.399 3.779 20 0 EHADRM C[C@H](C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-])c1cccc(F)c1 ZINC000262516341 601163657 /nfs/dbraw/zinc/16/36/57/601163657.db2.gz LIGCUYLPHVDOAA-DCGLDWPTSA-N -1 0 329.371 3.507 20 0 EHADRM CCCc1nc(C)c(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])s1 ZINC000236936856 601164492 /nfs/dbraw/zinc/16/44/92/601164492.db2.gz DZODRLVPIALDJM-XHDPSFHLSA-N -1 0 346.452 3.596 20 0 EHADRM C[C@H](OC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ncc(-c2ccccc2)o1 ZINC000827827131 601175672 /nfs/dbraw/zinc/17/56/72/601175672.db2.gz QKRYUPGXUWOXTN-CFVMTHIKSA-N -1 0 343.379 3.837 20 0 EHADRM CCO[C@@H](CCNC(=O)Nc1cc(C(=O)[O-])ccc1C)C1CCCC1 ZINC000829917753 601176534 /nfs/dbraw/zinc/17/65/34/601176534.db2.gz IENXCSLZAZXRJJ-KRWDZBQOSA-N -1 0 348.443 3.800 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)OCc2cccc(C(F)(F)F)c2)C1 ZINC000833187790 601178029 /nfs/dbraw/zinc/17/80/29/601178029.db2.gz KMMUEMFJIOOVFD-RYUDHWBXSA-N -1 0 330.302 3.640 20 0 EHADRM Cc1ccc2c(CCC(=O)NC3(CC(=O)[O-])CCCCC3)c[nH]c2c1 ZINC000832961065 601185170 /nfs/dbraw/zinc/18/51/70/601185170.db2.gz WWGCSJXLBDLYCM-UHFFFAOYSA-N -1 0 342.439 3.703 20 0 EHADRM COc1ccc2oc(C(=O)NC3(CC(=O)[O-])CCCCC3)c(C)c2c1 ZINC000531748257 601187099 /nfs/dbraw/zinc/18/70/99/601187099.db2.gz SHVBZYAAJPTSOY-UHFFFAOYSA-N -1 0 345.395 3.657 20 0 EHADRM CC(=O)c1c(C)cc(C)c(COC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1C ZINC000825941972 601192598 /nfs/dbraw/zinc/19/25/98/601192598.db2.gz HDLPYPJPDIIQTR-HOTGVXAUSA-N -1 0 346.423 3.749 20 0 EHADRM CC(C)(NC(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000826621273 601197737 /nfs/dbraw/zinc/19/77/37/601197737.db2.gz GCFVJLPUABXISA-UHFFFAOYSA-N -1 0 348.349 3.649 20 0 EHADRM Cc1[nH]c(C(=O)Nc2ccc3nc(C4CC4)oc3c2)c(C)c1C(=O)[O-] ZINC000832845863 601209076 /nfs/dbraw/zinc/20/90/76/601209076.db2.gz HZMPFHBWXCUCBL-UHFFFAOYSA-N -1 0 339.351 3.601 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N1CCSC2(CCCCC2)C1 ZINC000833334378 601235566 /nfs/dbraw/zinc/23/55/66/601235566.db2.gz DIQUIKKYIQZEKV-UHFFFAOYSA-N -1 0 334.441 3.668 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)c3ccnc(C(=O)[O-])c3)cn2)cc1 ZINC000432135192 601243809 /nfs/dbraw/zinc/24/38/09/601243809.db2.gz YWMBQNMJTLHTDS-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM COc1cccc(C(C)=CC(=O)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000832528827 601255606 /nfs/dbraw/zinc/25/56/06/601255606.db2.gz RQZHJYNASPRCCQ-ZRDIBKRKSA-N -1 0 326.352 3.827 20 0 EHADRM Cc1cc(C)c(N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)c(C)c1 ZINC000832874025 601263440 /nfs/dbraw/zinc/26/34/40/601263440.db2.gz DZULXWGDQZFHQF-CQSZACIVSA-N -1 0 344.436 3.589 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2occc2Br)cc1Cl ZINC000190609858 601268367 /nfs/dbraw/zinc/26/83/67/601268367.db2.gz FNPGNQXHNBUCAE-UHFFFAOYSA-N -1 0 344.548 3.646 20 0 EHADRM C[C@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1ccc(-c2ccccc2)cc1 ZINC000827710321 601270662 /nfs/dbraw/zinc/27/06/62/601270662.db2.gz PSLQQKQSRUOWBI-AWEZNQCLSA-N -1 0 346.386 3.938 20 0 EHADRM CCC1CCC(NC(=O)c2cccc(F)c2Cl)(C(=O)[O-])CC1 ZINC000262355351 601274750 /nfs/dbraw/zinc/27/47/50/601274750.db2.gz VSRFCICFZCOBBG-UHFFFAOYSA-N -1 0 327.783 3.633 20 0 EHADRM O=C([O-])c1cc(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)ccn1 ZINC000833153155 601277502 /nfs/dbraw/zinc/27/75/02/601277502.db2.gz KNXZBQVUXBMQJH-UHFFFAOYSA-N -1 0 349.346 3.565 20 0 EHADRM O=C([O-])c1cc(C(=O)N(Cc2ccc3ccccc3c2)C2CC2)ccn1 ZINC000833296257 601280643 /nfs/dbraw/zinc/28/06/43/601280643.db2.gz YYUBYEJNQZCRBL-UHFFFAOYSA-N -1 0 346.386 3.738 20 0 EHADRM CC(C)=C(C)C(=O)N(Cc1ccoc1C(=O)[O-])[C@H](C)c1ccccn1 ZINC000826642378 601282357 /nfs/dbraw/zinc/28/23/57/601282357.db2.gz XDLPKPGXBGQLEJ-CQSZACIVSA-N -1 0 342.395 3.819 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)C/C=C\c2ccc(F)cc2)c1 ZINC000832178279 601284779 /nfs/dbraw/zinc/28/47/79/601284779.db2.gz DWMYUFPXKYDVIM-IHWYPQMZSA-N -1 0 329.327 3.575 20 0 EHADRM CC(C)=C(C)C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000826642452 601287247 /nfs/dbraw/zinc/28/72/47/601287247.db2.gz ZLCJBACDHROWNT-QGZVFWFLSA-N -1 0 325.408 3.556 20 0 EHADRM Cc1cccc([C@@H]2CCCCCN2C(=O)c2ccnc(C(=O)[O-])c2)c1 ZINC000237788103 601288699 /nfs/dbraw/zinc/28/86/99/601288699.db2.gz GIXCCMAIIBOFBV-SFHVURJKSA-N -1 0 338.407 3.846 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1sc2ccc(OC)cc2c1C ZINC000262118303 601306648 /nfs/dbraw/zinc/30/66/48/601306648.db2.gz PDMRIJRGVVBBLJ-UHFFFAOYSA-N -1 0 349.452 3.982 20 0 EHADRM CCc1cccc(NC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000830265542 601308622 /nfs/dbraw/zinc/30/86/22/601308622.db2.gz BAAYYTXFBMRTKD-MRXNPFEDSA-N -1 0 330.359 3.726 20 0 EHADRM Cc1ccc(NC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)c(C)c1 ZINC000832947827 601309115 /nfs/dbraw/zinc/30/91/15/601309115.db2.gz WWUUMSGVLPVUIZ-MRXNPFEDSA-N -1 0 330.359 3.780 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000832850406 601310236 /nfs/dbraw/zinc/31/02/36/601310236.db2.gz JBFXEWYIPCGDEC-UHFFFAOYSA-N -1 0 332.743 3.684 20 0 EHADRM O=C([O-])CC1CCN(C(=O)Nc2cc(-c3ccccc3)ns2)CC1 ZINC000833212703 601313809 /nfs/dbraw/zinc/31/38/09/601313809.db2.gz BDCWRDWVYJBXOT-UHFFFAOYSA-N -1 0 345.424 3.529 20 0 EHADRM Cn1cc(NC(=O)C2CCC(c3ccccc3)CC2)cc1C(=O)[O-] ZINC000833045455 601315072 /nfs/dbraw/zinc/31/50/72/601315072.db2.gz MOMJOUZORBTSRM-UHFFFAOYSA-N -1 0 326.396 3.636 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000833310615 601335735 /nfs/dbraw/zinc/33/57/35/601335735.db2.gz YDNDXYPAPUBAJR-QGZVFWFLSA-N -1 0 327.355 3.891 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000828201988 601337450 /nfs/dbraw/zinc/33/74/50/601337450.db2.gz ZLZBQRQYDCECQK-XPKDYRNWSA-N -1 0 331.416 3.639 20 0 EHADRM C[C@H](SCc1ncc(-c2ccc(Br)cc2)o1)C(=O)[O-] ZINC000827908975 601345285 /nfs/dbraw/zinc/34/52/85/601345285.db2.gz PIBXRPORCXCFAW-QMMMGPOBSA-N -1 0 342.214 3.810 20 0 EHADRM O=C([O-])c1cc(NC(=O)C/C=C/c2ccc(F)cc2)c(F)cc1F ZINC000833095905 601350567 /nfs/dbraw/zinc/35/05/67/601350567.db2.gz DPLYPZYUXNBZCY-OWOJBTEDSA-N -1 0 335.281 3.844 20 0 EHADRM CC(C)c1ccc(NC(=O)COc2ccccc2NC(=O)[O-])cc1 ZINC000827124150 601368531 /nfs/dbraw/zinc/36/85/31/601368531.db2.gz JUIAUDNVGFQFJA-UHFFFAOYSA-N -1 0 328.368 3.917 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000831913020 601389806 /nfs/dbraw/zinc/38/98/06/601389806.db2.gz ITDPMWWSSLRFIG-QMMMGPOBSA-N -1 0 340.784 3.817 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CNc1cc(NC(=O)C2CC2)ccc1C ZINC000832942327 601390631 /nfs/dbraw/zinc/39/06/31/601390631.db2.gz YAWGQVPSTYSAEP-UHFFFAOYSA-N -1 0 328.368 3.555 20 0 EHADRM CSc1ccc(C)c(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000237317436 601392017 /nfs/dbraw/zinc/39/20/17/601392017.db2.gz BYQFGWFLNCLISL-SUMWQHHRSA-N -1 0 343.448 3.909 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000828758230 601392375 /nfs/dbraw/zinc/39/23/75/601392375.db2.gz IWEGUDOASDERFB-DOMZBBRYSA-N -1 0 347.436 3.871 20 0 EHADRM COc1cc(NC(=O)CC2CCCCCC2)c(C(=O)[O-])cc1OC ZINC000326074192 601393811 /nfs/dbraw/zinc/39/38/11/601393811.db2.gz MYBFTPOZPJWKQS-UHFFFAOYSA-N -1 0 335.400 3.701 20 0 EHADRM Cc1cc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c(C)n1C(C)C ZINC000236709952 601394184 /nfs/dbraw/zinc/39/41/84/601394184.db2.gz KUDBRLXSENYJCJ-KBXCAEBGSA-N -1 0 342.439 3.878 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CSc1nncn1-c1ccccc1C ZINC000830398273 601395535 /nfs/dbraw/zinc/39/55/35/601395535.db2.gz KEOQQDNQNBFAMW-UHFFFAOYSA-N -1 0 343.408 3.722 20 0 EHADRM COc1ccccc1C(C)(C)c1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000832590133 601402482 /nfs/dbraw/zinc/40/24/82/601402482.db2.gz ZUITWSPIJLOTTB-UHFFFAOYSA-N -1 0 338.363 3.769 20 0 EHADRM Cc1cc(CSc2nnc(CCc3ccccc3)o2)oc1C(=O)[O-] ZINC000832885010 601408537 /nfs/dbraw/zinc/40/85/37/601408537.db2.gz HQUQDYSIDIGNOY-UHFFFAOYSA-N -1 0 344.392 3.747 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000830369631 601413318 /nfs/dbraw/zinc/41/33/18/601413318.db2.gz QNJKJLKPVHSZCD-ZDUSSCGKSA-N -1 0 345.399 3.528 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(C)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000321886376 601423478 /nfs/dbraw/zinc/42/34/78/601423478.db2.gz TVXVCRRPBVYKFQ-LBPRGKRZSA-N -1 0 338.835 3.687 20 0 EHADRM O=C([O-])[C@H](OC(=O)Cc1coc2cc(F)ccc12)c1ccccc1F ZINC000833120421 601431268 /nfs/dbraw/zinc/43/12/68/601431268.db2.gz ZIHCPTXAEWAWBO-QGZVFWFLSA-N -1 0 346.285 3.623 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000666361578 601445627 /nfs/dbraw/zinc/44/56/27/601445627.db2.gz CEUICHPKTLFOLB-ZIAGYGMSSA-N -1 0 347.436 3.546 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000829014970 601447680 /nfs/dbraw/zinc/44/76/80/601447680.db2.gz WDIODDIITXGBBQ-CQSZACIVSA-N -1 0 331.343 3.628 20 0 EHADRM C[C@@H](OC(=O)c1ccc(NC(=O)[O-])cc1)c1nc2ccccc2n1C ZINC000827862150 601448465 /nfs/dbraw/zinc/44/84/65/601448465.db2.gz WAOOJVHPHMXROM-LLVKDONJSA-N -1 0 339.351 3.581 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000237046982 601455603 /nfs/dbraw/zinc/45/56/03/601455603.db2.gz ZBGCANJQZVDZEL-FQEVSTJZSA-N -1 0 341.407 3.639 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000237130636 601455883 /nfs/dbraw/zinc/45/58/83/601455883.db2.gz ZBGCANJQZVDZEL-HXUWFJFHSA-N -1 0 341.407 3.639 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000237023575 601458474 /nfs/dbraw/zinc/45/84/74/601458474.db2.gz VVIZEMKQGSXEBC-VFZGTOFNSA-N -1 0 348.226 3.520 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000237101044 601462111 /nfs/dbraw/zinc/46/21/11/601462111.db2.gz ACKLNEWSDVTEHG-BDJLRTHQSA-N -1 0 345.361 3.959 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)c1cc(-c2ccccc2)no1 ZINC000830389704 601462161 /nfs/dbraw/zinc/46/21/61/601462161.db2.gz REOUEXMDLHQPJC-UHFFFAOYSA-N -1 0 341.319 3.552 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)[C@@H]1SCCc2ccccc21 ZINC000830384154 601467579 /nfs/dbraw/zinc/46/75/79/601467579.db2.gz IZWKCLPWYFDHQX-MRXNPFEDSA-N -1 0 346.404 3.614 20 0 EHADRM Cc1ccc(CCCC(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])s1 ZINC000262059553 601472796 /nfs/dbraw/zinc/47/27/96/601472796.db2.gz BKMGRYJDHKQHJM-GOSISDBHSA-N -1 0 343.448 3.590 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2ccccc2SC(F)F)CCC1 ZINC000388239168 601476323 /nfs/dbraw/zinc/47/63/23/601476323.db2.gz ZHGWLHZDESCWHJ-UHFFFAOYSA-N -1 0 330.356 3.520 20 0 EHADRM Cc1ccc(NC(=O)NC2(CC(=O)[O-])CCC2)cc1C(F)(F)F ZINC000321799912 601476506 /nfs/dbraw/zinc/47/65/06/601476506.db2.gz YAPNWGHLAOGACB-UHFFFAOYSA-N -1 0 330.306 3.533 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)/C=C/Sc1ccccc1 ZINC000833193955 601477557 /nfs/dbraw/zinc/47/75/57/601477557.db2.gz SOKROSSYQBOQPH-YLZCUGDYSA-N -1 0 339.416 3.503 20 0 EHADRM CCCCOc1ccc(NC(=O)NC2(CC(=O)[O-])CCC2)c(C)c1 ZINC000649538504 601479300 /nfs/dbraw/zinc/47/93/00/601479300.db2.gz PEAXLISWSRBJFI-UHFFFAOYSA-N -1 0 334.416 3.693 20 0 EHADRM Cc1oc(CN(C)C(=O)C/C=C\c2ccc(C)cc2)cc1C(=O)[O-] ZINC000832927934 601499260 /nfs/dbraw/zinc/49/92/60/601499260.db2.gz NKVZELZJEJEUNF-PLNGDYQASA-N -1 0 327.380 3.657 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)c2ccc3ccc(Cl)cc3n2)cc1 ZINC000833267232 601499501 /nfs/dbraw/zinc/49/95/01/601499501.db2.gz QZUYAVSEFULJTR-UHFFFAOYSA-N -1 0 341.750 3.735 20 0 EHADRM CCCCC1CCC(C(=O)N(CCC(=O)[O-])Cc2ccncc2)CC1 ZINC000829295258 601512240 /nfs/dbraw/zinc/51/22/40/601512240.db2.gz AIRNKPCRYLICKL-UHFFFAOYSA-N -1 0 346.471 3.882 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)C1CC1 ZINC000767076612 601519115 /nfs/dbraw/zinc/51/91/15/601519115.db2.gz NXUZQDPCTDWRHU-IBGZPJMESA-N -1 0 337.419 3.578 20 0 EHADRM Cc1oc(-c2ccccc2)nc1CN1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000833023733 601546320 /nfs/dbraw/zinc/54/63/20/601546320.db2.gz DMWRKJKSMJZMEO-LJQANCHMSA-N -1 0 348.402 3.834 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2cccc(F)c2o1)c1ccc(Cl)cc1 ZINC000678984274 601582629 /nfs/dbraw/zinc/58/26/29/601582629.db2.gz WPWAXGWUKWCZAR-AWEZNQCLSA-N -1 0 347.729 3.781 20 0 EHADRM O=C([O-])[C@H](NC(=O)C[C@@H]1CCc2ccccc21)c1ccc(Cl)cc1 ZINC000678982359 601585831 /nfs/dbraw/zinc/58/58/31/601585831.db2.gz ASUMHAMSSQWIQG-KBXCAEBGSA-N -1 0 343.810 3.702 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000538467125 601586543 /nfs/dbraw/zinc/58/65/43/601586543.db2.gz YNEVRIUJLYAQKL-BDJLRTHQSA-N -1 0 349.789 3.600 20 0 EHADRM Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000362699499 601614317 /nfs/dbraw/zinc/61/43/17/601614317.db2.gz PKAJGXCXSWCQTH-UHFFFAOYSA-N -1 0 336.347 3.529 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)Nc1cc(F)ccc1F)c1ccccc1 ZINC000826039406 601614395 /nfs/dbraw/zinc/61/43/95/601614395.db2.gz SJHCNTYQSDPVPH-BONVTDFDSA-N -1 0 334.322 3.548 20 0 EHADRM Cc1cc(C)c2cc(C(=O)Nc3ccccc3CC(=O)[O-])sc2n1 ZINC000738226896 601615421 /nfs/dbraw/zinc/61/54/21/601615421.db2.gz PIWKHTPKKHQXFR-UHFFFAOYSA-N -1 0 340.404 3.793 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000238078647 601616466 /nfs/dbraw/zinc/61/64/66/601616466.db2.gz DNVPKHNUMOSPFH-UHFFFAOYSA-N -1 0 337.297 3.514 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1c(F)cccc1Cl ZINC000827622146 601622469 /nfs/dbraw/zinc/62/24/69/601622469.db2.gz HJRSNXRLCZIGCN-DCAQKATOSA-N -1 0 327.783 3.547 20 0 EHADRM C[C@@H](NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1F ZINC000832811779 601623140 /nfs/dbraw/zinc/62/31/40/601623140.db2.gz BAOXGWGRAUKVIO-LLVKDONJSA-N -1 0 348.349 3.566 20 0 EHADRM Cc1cc(C(=O)N2CCCC[C@@H]2C(=O)[O-])sc1-c1ccc(F)cc1 ZINC000128580364 601628875 /nfs/dbraw/zinc/62/88/75/601628875.db2.gz LGHQRTAMRNZJRQ-CQSZACIVSA-N -1 0 347.411 3.942 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc(-c2ccc(Cl)cc2)s1)C1CC1 ZINC000238088826 601636924 /nfs/dbraw/zinc/63/69/24/601636924.db2.gz ZJDLRLZURPSPTR-UHFFFAOYSA-N -1 0 335.812 3.758 20 0 EHADRM CCCCC[C@H](NC(=O)c1cccc(C(F)(F)F)c1F)C(=O)[O-] ZINC000236673108 601641728 /nfs/dbraw/zinc/64/17/28/601641728.db2.gz KKMPABXWPDGBAK-NSHDSACASA-N -1 0 335.297 3.608 20 0 EHADRM Cc1nc(CC(C)C)c(C(=O)Nc2ccc(CC(=O)[O-])cc2)s1 ZINC000262771481 601645272 /nfs/dbraw/zinc/64/52/72/601645272.db2.gz LJBFNUOTWNJKLE-UHFFFAOYSA-N -1 0 332.425 3.529 20 0 EHADRM CCCCC[C@@H](NC(=O)c1cc(C(C)C)n(C(C)(C)C)n1)C(=O)[O-] ZINC000236835277 601646418 /nfs/dbraw/zinc/64/64/18/601646418.db2.gz DNFNQNMYPYNHCX-CYBMUJFWSA-N -1 0 337.464 3.525 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)[C@H]1C[C@H]1Cc1ccccc1 ZINC000833334446 601658771 /nfs/dbraw/zinc/65/87/71/601658771.db2.gz OCSMXNKTULPUQA-QAPCUYQASA-N -1 0 335.403 3.543 20 0 EHADRM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C(=O)[O-])s2)C1(CC)CC ZINC000236868875 601673537 /nfs/dbraw/zinc/67/35/37/601673537.db2.gz XRNYOUWFVAURAM-ZIAGYGMSSA-N -1 0 339.457 3.502 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@@H]2Cc2ccccc2)cc1Cl ZINC000833319503 601678832 /nfs/dbraw/zinc/67/88/32/601678832.db2.gz WROJLLXMZMJRHI-SWLSCSKDSA-N -1 0 329.783 3.856 20 0 EHADRM CCC(CC)(NC(=O)CCCc1csc2ccccc12)C(=O)[O-] ZINC000342556452 601682126 /nfs/dbraw/zinc/68/21/26/601682126.db2.gz DFIQZNBMQMJJMJ-UHFFFAOYSA-N -1 0 333.453 3.984 20 0 EHADRM O=C([O-])[C@@]1(F)CCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000833157047 601684775 /nfs/dbraw/zinc/68/47/75/601684775.db2.gz KAFWCDXAOIFSPB-GOSISDBHSA-N -1 0 344.342 3.509 20 0 EHADRM O=C([O-])C[C@H](NC(=O)N1CCc2ccccc21)c1ccc(Cl)cc1 ZINC000833266260 601685708 /nfs/dbraw/zinc/68/57/08/601685708.db2.gz WWBOFHFTZXTWJG-HNNXBMFYSA-N -1 0 344.798 3.628 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)NCC(C)(C)C(=O)[O-] ZINC000827934394 601686811 /nfs/dbraw/zinc/68/68/11/601686811.db2.gz GACAORQVFMOXHO-NEPJUHHUSA-N -1 0 340.851 3.584 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCC(=Cc3ccccc3F)CC2)C1 ZINC000833187688 601690435 /nfs/dbraw/zinc/69/04/35/601690435.db2.gz ZEEQUSMVGTZIIY-IAGOWNOFSA-N -1 0 345.414 3.723 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)CCOc1cccc(C)c1 ZINC000832971958 601703457 /nfs/dbraw/zinc/70/34/57/601703457.db2.gz BJZKDJXTMQZMNB-UHFFFAOYSA-N -1 0 334.393 3.575 20 0 EHADRM O=C([O-])C1(CNC(=O)c2cccc(Nc3ccccc3)c2)CCCC1 ZINC000833136953 601707171 /nfs/dbraw/zinc/70/71/71/601707171.db2.gz GUMTWDOBEHWUHQ-UHFFFAOYSA-N -1 0 338.407 3.805 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)[C@H](C)Oc1cccc(C)c1 ZINC000832973223 601715138 /nfs/dbraw/zinc/71/51/38/601715138.db2.gz QXEXJQKCSXGKPQ-NSHDSACASA-N -1 0 334.393 3.574 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)Nc2ccc(CNC(=O)[O-])cc2)ccc1F ZINC000832870473 601724307 /nfs/dbraw/zinc/72/43/07/601724307.db2.gz INBUMYAAAORJCQ-GFCCVEGCSA-N -1 0 345.374 3.784 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1csc(C(C)C)n1 ZINC000833031305 601726966 /nfs/dbraw/zinc/72/69/66/601726966.db2.gz LJTGXIZMBMVGGJ-UHFFFAOYSA-N -1 0 325.411 3.692 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)CCc2ccc(C(=O)[O-])cc2)cc1F ZINC000237615699 601727526 /nfs/dbraw/zinc/72/75/26/601727526.db2.gz RMFFAWKBDLKGMT-ZDUSSCGKSA-N -1 0 329.371 3.642 20 0 EHADRM COc1ccc([C@H](C)C(=O)OCc2cc(C(=O)[O-])sc2C)cc1 ZINC000832216808 601728799 /nfs/dbraw/zinc/72/87/99/601728799.db2.gz QDJAGGOOFNLWKX-JTQLQIEISA-N -1 0 334.393 3.610 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)[C@@H]1CSc2ccccc21 ZINC000833031427 601729956 /nfs/dbraw/zinc/72/99/56/601729956.db2.gz KTLMBRPOOVARMP-GFCCVEGCSA-N -1 0 334.418 3.687 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)CNc1c(C)cccc1C ZINC000832965982 601731171 /nfs/dbraw/zinc/73/11/71/601731171.db2.gz VWLPSNGYWHLYGB-UHFFFAOYSA-N -1 0 333.409 3.527 20 0 EHADRM Cc1ccc(NC(=O)N(CCC(F)(F)F)CC2CC2)cc1C(=O)[O-] ZINC000832944617 601731447 /nfs/dbraw/zinc/73/14/47/601731447.db2.gz IIEWQXIXWJWADR-UHFFFAOYSA-N -1 0 344.333 3.890 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000829014475 601733020 /nfs/dbraw/zinc/73/30/20/601733020.db2.gz IXAOTLNOBVPCSH-QGZVFWFLSA-N -1 0 346.354 3.733 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2cccc(Cl)c2o1)c1ccccc1F ZINC000833125747 601737909 /nfs/dbraw/zinc/73/79/09/601737909.db2.gz YRUYFHFVYYTZTB-CQSZACIVSA-N -1 0 347.729 3.781 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)NCC(C)(C)C(=O)[O-] ZINC000830250150 601749963 /nfs/dbraw/zinc/74/99/63/601749963.db2.gz ULJCJGJDEWWPFR-UHFFFAOYSA-N -1 0 326.824 3.697 20 0 EHADRM CC(C)(CNC(=O)Nc1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC000325334967 601753450 /nfs/dbraw/zinc/75/34/50/601753450.db2.gz AXNNKXSQBHURAF-UHFFFAOYSA-N -1 0 328.368 3.711 20 0 EHADRM CC(C)Nc1ccc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cn1 ZINC000826983999 601757133 /nfs/dbraw/zinc/75/71/33/601757133.db2.gz LXMWJIBZTMLULO-UHFFFAOYSA-N -1 0 341.411 3.516 20 0 EHADRM Cn1cc(CCc2nc(-c3cccc(C(=O)[O-])c3)no2)c2ccccc21 ZINC000833045318 601772487 /nfs/dbraw/zinc/77/24/87/601772487.db2.gz UCQANSBULFTSOM-UHFFFAOYSA-N -1 0 347.374 3.712 20 0 EHADRM CCC1(CC)CCN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC000829055828 601790112 /nfs/dbraw/zinc/79/01/12/601790112.db2.gz NYGIWGOZUGGBGJ-UHFFFAOYSA-N -1 0 334.416 3.584 20 0 EHADRM Cc1ncc(/C=C/C(=O)Nc2scc(C3CC3)c2C(=O)[O-])s1 ZINC000738370072 601807643 /nfs/dbraw/zinc/80/76/43/601807643.db2.gz JWUGNPBPCHYMJF-SNAWJCMRSA-N -1 0 334.422 3.741 20 0 EHADRM O=C([O-])c1sccc1CSc1ccc(Br)cn1 ZINC000079421643 601809358 /nfs/dbraw/zinc/80/93/58/601809358.db2.gz UUEUGQGLBAVLIM-UHFFFAOYSA-N -1 0 330.228 3.896 20 0 EHADRM C[C@@H]1CCC[C@@H](OCC(=O)Nc2scc(C3CC3)c2C(=O)[O-])C1 ZINC000828245510 601809804 /nfs/dbraw/zinc/80/98/04/601809804.db2.gz LCYHBIVXGDPBAX-ZYHUDNBSSA-N -1 0 337.441 3.858 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000315465008 601813365 /nfs/dbraw/zinc/81/33/65/601813365.db2.gz QJVIVPOEHAAGHB-UHFFFAOYSA-N -1 0 344.238 3.639 20 0 EHADRM C[C@H](SCc1ccc(C(=O)[O-])c(F)c1)C(=O)NC1CCCCC1 ZINC000827908877 601813623 /nfs/dbraw/zinc/81/36/23/601813623.db2.gz OLTIQHIZGDDXOO-NSHDSACASA-N -1 0 339.432 3.595 20 0 EHADRM Cc1ccc(SCCC(=O)N2CCC(CCC(=O)[O-])CC2)cc1C ZINC000391976418 601818113 /nfs/dbraw/zinc/81/81/13/601818113.db2.gz JSHNHDCWOWSRSI-UHFFFAOYSA-N -1 0 349.496 3.889 20 0 EHADRM O=C([O-])c1sccc1CN1CCO[C@H](c2ccccc2Cl)C1 ZINC000520824530 601822256 /nfs/dbraw/zinc/82/22/56/601822256.db2.gz XNSQTKTYUWSEER-AWEZNQCLSA-N -1 0 337.828 3.673 20 0 EHADRM CC(C)(CCNC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccccc1 ZINC000659394796 601825329 /nfs/dbraw/zinc/82/53/29/601825329.db2.gz DOEDDKXOBJAFMF-UHFFFAOYSA-N -1 0 346.471 3.641 20 0 EHADRM N#Cc1ccc(N2CCC(CCC(=O)[O-])CC2)cc1C(F)(F)F ZINC000390594586 601830550 /nfs/dbraw/zinc/83/05/50/601830550.db2.gz SPJJRKPVXFUYMP-UHFFFAOYSA-N -1 0 326.318 3.658 20 0 EHADRM COC(=O)c1ccc(CSCc2cc(C(=O)[O-])c(C)o2)s1 ZINC000831385574 601846318 /nfs/dbraw/zinc/84/63/18/601846318.db2.gz ZFZGPTFVJUAOIU-UHFFFAOYSA-N -1 0 326.395 3.568 20 0 EHADRM O=C([O-])c1ccc(CSCc2nc(-c3ccccc3)no2)s1 ZINC000833317085 601846484 /nfs/dbraw/zinc/84/64/84/601846484.db2.gz OJUIZZGOHOHNNY-UHFFFAOYSA-N -1 0 332.406 3.930 20 0 EHADRM O=C([O-])c1cc(NC(=O)C2(Cc3ccccc3)CCC2)ccc1F ZINC000776630770 601847499 /nfs/dbraw/zinc/84/74/99/601847499.db2.gz XVVGFDPOWXUAMH-UHFFFAOYSA-N -1 0 327.355 3.875 20 0 EHADRM C[C@@H](CSCc1cc(Br)cc2cccnc21)C(=O)[O-] ZINC000827575017 601863684 /nfs/dbraw/zinc/86/36/84/601863684.db2.gz IRMWQZDBPVEINH-VIFPVBQESA-N -1 0 340.242 3.951 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(c2nc(-c3cccs3)nc3ccccc32)C1 ZINC000263407887 601864397 /nfs/dbraw/zinc/86/43/97/601864397.db2.gz LIZKTTAAIVRXND-GOSISDBHSA-N -1 0 339.420 3.659 20 0 EHADRM C[C@@H](CC(=O)Oc1ccc(SCC(=O)[O-])cc1)c1ccccc1 ZINC000827392305 601871775 /nfs/dbraw/zinc/87/17/75/601871775.db2.gz XGGFRZJUJGFMJA-ZDUSSCGKSA-N -1 0 330.405 3.963 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC000827585835 601876325 /nfs/dbraw/zinc/87/63/25/601876325.db2.gz AWAPREXSNFYIQU-LBPRGKRZSA-N -1 0 348.395 3.787 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)[C@@H]2CSc3ccccc32)cc1 ZINC000833262702 601876954 /nfs/dbraw/zinc/87/69/54/601876954.db2.gz DYTAQZZTVOCVAK-CQSZACIVSA-N -1 0 346.429 3.658 20 0 EHADRM COc1ccc(CCCC(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])cc1 ZINC000262180016 601912971 /nfs/dbraw/zinc/91/29/71/601912971.db2.gz OPVJGQYOXOJJEJ-ZWKOTPCHSA-N -1 0 347.455 3.558 20 0 EHADRM CC[C@H](NC(=O)[O-])C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000739531911 601916759 /nfs/dbraw/zinc/91/67/59/601916759.db2.gz YGFQTKCBFIDTIT-INIZCTEOSA-N -1 0 334.416 3.521 20 0 EHADRM Cc1nc(-c2ccccc2)ccc1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000237702772 601919457 /nfs/dbraw/zinc/91/94/57/601919457.db2.gz HYDXWUNIRYJVIT-UHFFFAOYSA-N -1 0 346.386 3.685 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000236904042 601921911 /nfs/dbraw/zinc/92/19/11/601921911.db2.gz YZZCUDJAAOSQKN-MRXNPFEDSA-N -1 0 329.421 3.572 20 0 EHADRM Cc1cc2occ(CC(=O)NCc3cccc(C(=O)[O-])c3)c2cc1C ZINC000532254410 601925096 /nfs/dbraw/zinc/92/50/96/601925096.db2.gz SOYBXMYARZGRHH-UHFFFAOYSA-N -1 0 337.375 3.607 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2cccc(OC3CCCC3)c2)c1 ZINC000238219828 601925261 /nfs/dbraw/zinc/92/52/61/601925261.db2.gz GOQSHRXKPSUNMY-UHFFFAOYSA-N -1 0 339.391 3.636 20 0 EHADRM CCCn1nc(C)c(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1C ZINC000181868543 601958974 /nfs/dbraw/zinc/95/89/74/601958974.db2.gz VPIVTIZCOJFAIG-UHFFFAOYSA-N -1 0 335.791 3.514 20 0 EHADRM O=C([O-])N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)Nc1cccc(C(F)F)c1 ZINC000740471480 601961181 /nfs/dbraw/zinc/96/11/81/601961181.db2.gz WNSITJTVXDMUGH-GDLCADMTSA-N -1 0 338.354 3.874 20 0 EHADRM CCCn1nc(C)c(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1C ZINC000262065639 601965291 /nfs/dbraw/zinc/96/52/91/601965291.db2.gz BPLUSQLTGDDJNP-UHFFFAOYSA-N -1 0 343.427 3.524 20 0 EHADRM O=C([O-])Cc1cccc(NCc2nnc(-c3ccc(Cl)cc3)o2)c1 ZINC000819585959 601968331 /nfs/dbraw/zinc/96/83/31/601968331.db2.gz OKIXGTCHIZXTON-UHFFFAOYSA-N -1 0 343.770 3.629 20 0 EHADRM O=C([O-])[C@H](Nc1ccc2c(c1)OCO2)c1cc(Cl)cc(Cl)c1 ZINC000833171609 601972020 /nfs/dbraw/zinc/97/20/20/601972020.db2.gz ZENWMWFZQLGJFU-CQSZACIVSA-N -1 0 340.162 3.960 20 0 EHADRM CN(C(=O)[O-])[C@@H]1CCCN(Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000739588147 601977057 /nfs/dbraw/zinc/97/70/57/601977057.db2.gz NSOUIKMRPMTSPS-CQSZACIVSA-N -1 0 349.818 3.569 20 0 EHADRM Cc1occc1CNC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000833029773 601987450 /nfs/dbraw/zinc/98/74/50/601987450.db2.gz IRGDYLDVVRTCBW-UHFFFAOYSA-N -1 0 342.273 3.627 20 0 EHADRM CCOCCC1(C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)CCCC1 ZINC000829994764 601989600 /nfs/dbraw/zinc/98/96/00/601989600.db2.gz SCUPVIBOGLKIMR-UHFFFAOYSA-N -1 0 334.416 3.726 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000739248277 601994110 /nfs/dbraw/zinc/99/41/10/601994110.db2.gz FHRBSHPUYCACIR-GFCCVEGCSA-N -1 0 343.383 3.703 20 0 EHADRM O=C([O-])c1ccc(COC(=O)CCCc2c[nH]c3ccccc23)s1 ZINC000833098023 601997134 /nfs/dbraw/zinc/99/71/34/601997134.db2.gz DFQDCMJZVBYVKM-UHFFFAOYSA-N -1 0 343.404 3.994 20 0 EHADRM Cc1ccc(SCC(=O)Nc2ccc(NC(=O)[O-])nc2)c(C)c1 ZINC000740151208 601997880 /nfs/dbraw/zinc/99/78/80/601997880.db2.gz VZAUBIUBXSXMOT-UHFFFAOYSA-N -1 0 331.397 3.519 20 0 EHADRM O=C([O-])c1ccc(COC(=O)/C=C/c2ccc3ccccc3n2)s1 ZINC000833095285 601998790 /nfs/dbraw/zinc/99/87/90/601998790.db2.gz RHMLBBUGIBIKHZ-JXMROGBWSA-N -1 0 339.372 3.751 20 0 EHADRM C[C@H](C(=O)N(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1)C1CCCC1 ZINC000825966477 602000069 /nfs/dbraw/zinc/00/00/69/602000069.db2.gz DRDDYACWSMRCEV-BJOHPYRUSA-N -1 0 343.345 3.514 20 0 EHADRM C[C@@H]1CC[C@@H](CC(=O)N(C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)C1 ZINC000828221162 602000105 /nfs/dbraw/zinc/00/01/05/602000105.db2.gz IQNWYNCTEPRUIR-LYGAQUJYSA-N -1 0 343.345 3.514 20 0 EHADRM O=C([O-])c1ccc(COC(=O)C2(c3cccc(F)c3)CCC2)s1 ZINC000833315012 602000567 /nfs/dbraw/zinc/00/05/67/602000567.db2.gz OVAUNUSIOJXUQX-UHFFFAOYSA-N -1 0 334.368 3.751 20 0 EHADRM Cn1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2C(=O)[O-])c1 ZINC000833054623 602005953 /nfs/dbraw/zinc/00/59/53/602005953.db2.gz MYVLJSUILIUBBE-UHFFFAOYSA-N -1 0 336.347 3.768 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)OCc1ccc(C(=O)[O-])s1 ZINC000832590114 602008088 /nfs/dbraw/zinc/00/80/88/602008088.db2.gz YVSQMDSHAIZZOV-LLVKDONJSA-N -1 0 334.393 3.692 20 0 EHADRM C/C(=C\C(=O)N(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1)C(C)(C)C ZINC000825716714 602012774 /nfs/dbraw/zinc/01/27/74/602012774.db2.gz NKDXJKMOFLIWAL-RZIFZGNASA-N -1 0 343.345 3.680 20 0 EHADRM CN(Cc1nc(-c2ccccc2)c[nH]1)c1nc(Cl)c(C(=O)[O-])s1 ZINC000830874488 602012829 /nfs/dbraw/zinc/01/28/29/602012829.db2.gz BIXORSYPWIRYDE-UHFFFAOYSA-N -1 0 348.815 3.521 20 0 EHADRM CCC[C@H](C)CC(=O)N(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000829208020 602013637 /nfs/dbraw/zinc/01/36/37/602013637.db2.gz HQDSMYWKVGJGHA-BJOHPYRUSA-N -1 0 331.334 3.514 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000391964617 602024961 /nfs/dbraw/zinc/02/49/61/602024961.db2.gz NQGKRFVCDVROGH-UHFFFAOYSA-N -1 0 338.285 3.725 20 0 EHADRM C[C@@H]1CC[C@H](C)N1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000828214757 602039023 /nfs/dbraw/zinc/03/90/23/602039023.db2.gz RYGKVOQAYZIKFL-BETUJISGSA-N -1 0 336.457 3.799 20 0 EHADRM CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000830149137 602039201 /nfs/dbraw/zinc/03/92/01/602039201.db2.gz DRZYDQYGGHJUKG-NEPJUHHUSA-N -1 0 340.420 3.662 20 0 EHADRM O=C([O-])NC[C@H]1CCCCN1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000740621637 602046877 /nfs/dbraw/zinc/04/68/77/602046877.db2.gz DYQVEDFKDWTKTK-CQSZACIVSA-N -1 0 349.818 3.617 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2cc(Cl)ccc2NC2CC2)C1 ZINC000833186742 602047400 /nfs/dbraw/zinc/04/74/00/602047400.db2.gz NWARLYYXKRGESV-QWRGUYRKSA-N -1 0 336.819 3.744 20 0 EHADRM C[C@@H](CCNC(=O)Nc1cccc(-c2cccs2)c1)NC(=O)[O-] ZINC000738899327 602051193 /nfs/dbraw/zinc/05/11/93/602051193.db2.gz BUGNXDXQFZNAJV-NSHDSACASA-N -1 0 333.413 3.583 20 0 EHADRM C/C=C(\C)C(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC000828535178 602062806 /nfs/dbraw/zinc/06/28/06/602062806.db2.gz XVTVUHAMDQOXHC-QLKAYGNNSA-N -1 0 325.364 3.869 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)CCSc2ccccc2F)c1 ZINC000321181715 602068907 /nfs/dbraw/zinc/06/89/07/602068907.db2.gz ZRNZYBSCUOULQP-UHFFFAOYSA-N -1 0 333.384 3.574 20 0 EHADRM CCOc1ccc(Oc2ccccc2NC(=O)[C@@H](C)CC(=O)[O-])cc1 ZINC000830089085 602070206 /nfs/dbraw/zinc/07/02/06/602070206.db2.gz ZXSVBTVQLAVHKV-ZDUSSCGKSA-N -1 0 343.379 3.927 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2ccc(Cl)c3cccnc23)c1 ZINC000428101055 602070606 /nfs/dbraw/zinc/07/06/06/602070606.db2.gz HLSBAHYUSCQFIH-UHFFFAOYSA-N -1 0 340.766 3.768 20 0 EHADRM Cc1ccc(-c2nc(C(=O)Nc3cccc(CC(=O)[O-])c3)cs2)o1 ZINC000345839577 602071701 /nfs/dbraw/zinc/07/17/01/602071701.db2.gz LYHTVNUFEKIWBP-UHFFFAOYSA-N -1 0 342.376 3.591 20 0 EHADRM Cc1coc(-c2cc(NC(=O)c3ccc(C(=O)[O-])s3)ccc2C)n1 ZINC000832988305 602072056 /nfs/dbraw/zinc/07/20/56/602072056.db2.gz WAIKENUWSUFYFT-UHFFFAOYSA-N -1 0 342.376 3.970 20 0 EHADRM CC(C)(C(=O)Nc1cccc(CC(=O)[O-])c1)c1ccccc1Cl ZINC000676210992 602073701 /nfs/dbraw/zinc/07/37/01/602073701.db2.gz QMLJCHKONRKGCH-UHFFFAOYSA-N -1 0 331.799 3.883 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N[C@@H](CCCc1ccccc1)c1ccccc1 ZINC000827270634 602083713 /nfs/dbraw/zinc/08/37/13/602083713.db2.gz BTWINIUAHQXGFK-APWZRJJASA-N -1 0 339.435 3.978 20 0 EHADRM C[C@]1(c2ccccc2)CCN(C(=O)NCCCCCCCC(=O)[O-])C1 ZINC000828128423 602095184 /nfs/dbraw/zinc/09/51/84/602095184.db2.gz TVTCMQFHFRKBBZ-FQEVSTJZSA-N -1 0 346.471 3.785 20 0 EHADRM CC(=O)CCCCOC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000825814131 602097197 /nfs/dbraw/zinc/09/71/97/602097197.db2.gz YOHHAMRWMILHLJ-UHFFFAOYSA-N -1 0 347.289 3.711 20 0 EHADRM COCCC1(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)CCCC1 ZINC000831675738 602100959 /nfs/dbraw/zinc/10/09/59/602100959.db2.gz BAVXPNMHMSZPJZ-UHFFFAOYSA-N -1 0 325.792 3.574 20 0 EHADRM C[C@H](COc1ccccc1)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000827523872 602101054 /nfs/dbraw/zinc/10/10/54/602101054.db2.gz AHLJSVHPMZMVHX-LLVKDONJSA-N -1 0 333.771 3.692 20 0 EHADRM CCO[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)C12CCC2 ZINC000829917465 602101770 /nfs/dbraw/zinc/10/17/70/602101770.db2.gz GNTUWBHXSLUYKS-CVEARBPZSA-N -1 0 346.427 3.505 20 0 EHADRM CCC(CC)(CC)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000828810514 602112460 /nfs/dbraw/zinc/11/24/60/602112460.db2.gz MDXSUIPTGASBPZ-UHFFFAOYSA-N -1 0 342.439 3.967 20 0 EHADRM Cc1ccccc1CN(Cc1ccccc1)C(=O)[C@H](C)CC(=O)[O-] ZINC000832979308 602131995 /nfs/dbraw/zinc/13/19/95/602131995.db2.gz LBBWZJLAQFAXAM-MRXNPFEDSA-N -1 0 325.408 3.635 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)N(CC)c1ccccc1C(=O)[O-] ZINC000829009807 602148736 /nfs/dbraw/zinc/14/87/36/602148736.db2.gz RBFRUOJAQDXTMN-KRWDZBQOSA-N -1 0 333.428 3.866 20 0 EHADRM CCC[C@](C)(NC(=O)[O-])C(=O)Nc1cccc(Br)c1C ZINC000739298438 602151373 /nfs/dbraw/zinc/15/13/73/602151373.db2.gz VPEJQUKHDFRBNP-AWEZNQCLSA-N -1 0 343.221 3.522 20 0 EHADRM Cc1cc(C)c(-c2csc(NC(=O)[C@H](C)CC(=O)[O-])n2)cc1C ZINC000832875587 602154831 /nfs/dbraw/zinc/15/48/31/602154831.db2.gz UJSAOIZJHJPDQB-GFCCVEGCSA-N -1 0 332.425 3.785 20 0 EHADRM COc1cc(OC)cc([C@@H](Nc2ccc3[nH]c(C)cc3c2)C(=O)[O-])c1 ZINC000832063886 602173381 /nfs/dbraw/zinc/17/33/81/602173381.db2.gz BDLKPEZMXBOGHX-GOSISDBHSA-N -1 0 340.379 3.731 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2ccccc2NC(=O)[O-])cc1 ZINC000740102301 602178932 /nfs/dbraw/zinc/17/89/32/602178932.db2.gz DBHNPVUWKHSYJK-UHFFFAOYSA-N -1 0 326.352 3.687 20 0 EHADRM Cc1cccc(OCCCCC(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC000191330636 602180442 /nfs/dbraw/zinc/18/04/42/602180442.db2.gz VASLHLZBBQMPTP-UHFFFAOYSA-N -1 0 333.409 3.943 20 0 EHADRM Cc1ccc(C(=O)Nc2cc(C(=O)[O-])cs2)cc1Br ZINC000191362299 602182527 /nfs/dbraw/zinc/18/25/27/602182527.db2.gz UZHKIHLMWFECBY-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1ccc(Cl)cc1C ZINC000192880557 602190240 /nfs/dbraw/zinc/19/02/40/602190240.db2.gz IQCAPBNBUJQAPV-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)O[C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000827333075 602193916 /nfs/dbraw/zinc/19/39/16/602193916.db2.gz GZWJHNKKYVYUNR-RISCZKNCSA-N -1 0 345.420 3.842 20 0 EHADRM CCC1(CNC(=O)NCCc2ccc(NC(=O)[O-])cc2)CCCC1 ZINC000829061242 602196758 /nfs/dbraw/zinc/19/67/58/602196758.db2.gz SEJOKZKPUIJIEH-UHFFFAOYSA-N -1 0 333.432 3.589 20 0 EHADRM C[C@H](C1CC1)N(C)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000827213842 602225360 /nfs/dbraw/zinc/22/53/60/602225360.db2.gz UAWFNYYQKBVAQQ-GFCCVEGCSA-N -1 0 342.395 3.565 20 0 EHADRM Cc1cccc(OC(F)F)c1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000738733749 602236473 /nfs/dbraw/zinc/23/64/73/602236473.db2.gz FEBJVRYUQQSBLC-UHFFFAOYSA-N -1 0 336.294 3.939 20 0 EHADRM CCC[C@H](NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(F)cc1F ZINC000180133910 602240511 /nfs/dbraw/zinc/24/05/11/602240511.db2.gz PUGYZRZKNNJIAB-MKBNYLNASA-N -1 0 339.382 3.813 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)ccc21 ZINC000740471726 602240637 /nfs/dbraw/zinc/24/06/37/602240637.db2.gz IQRAQWHCXMQPNH-CVEARBPZSA-N -1 0 340.354 3.608 20 0 EHADRM CCc1sc(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])cc1C ZINC000739558835 602242630 /nfs/dbraw/zinc/24/26/30/602242630.db2.gz AEHMZUHZPPGYEV-UHFFFAOYSA-N -1 0 330.409 3.912 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)CSc3ccc(F)cc3)ccc21 ZINC000740381844 602244150 /nfs/dbraw/zinc/24/41/50/602244150.db2.gz WITCVRARELOXOA-UHFFFAOYSA-N -1 0 346.383 3.597 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)c3cc4cc(F)ccc4[nH]3)ccc21 ZINC000740469456 602252789 /nfs/dbraw/zinc/25/27/89/602252789.db2.gz FTOCQFMPGSTOFO-UHFFFAOYSA-N -1 0 339.326 3.600 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)C=C2CCCC2)c2ccccc12 ZINC000776630511 602260934 /nfs/dbraw/zinc/26/09/34/602260934.db2.gz WYOPQJBSOHTPHZ-UHFFFAOYSA-N -1 0 325.364 3.742 20 0 EHADRM CC(=O)c1cccc(NC(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])c1 ZINC000738602332 602270140 /nfs/dbraw/zinc/27/01/40/602270140.db2.gz QADGIBTVCBACDA-UHFFFAOYSA-N -1 0 339.351 3.574 20 0 EHADRM CC1(C)C[C@H](NC(=O)Nc2ccc(C(=O)[O-])cc2)c2ccccc2O1 ZINC000828056337 602274113 /nfs/dbraw/zinc/27/41/13/602274113.db2.gz QJPBFSDIIYCNOF-HNNXBMFYSA-N -1 0 340.379 3.809 20 0 EHADRM Cc1ccc(-c2nc(CN3CCCC[C@H]3[C@H](C)NC(=O)[O-])co2)cc1 ZINC000740092557 602274993 /nfs/dbraw/zinc/27/49/93/602274993.db2.gz LPKGYDOSHPEWHV-YOEHRIQHSA-N -1 0 343.427 3.661 20 0 EHADRM C[C@H]1CCC[C@@H](N(C)C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])C1 ZINC000739089482 602275686 /nfs/dbraw/zinc/27/56/86/602275686.db2.gz FUZYTODGRXNEOP-SWLSCSKDSA-N -1 0 331.416 3.770 20 0 EHADRM O=C([O-])c1csc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)c1 ZINC000192917440 602283882 /nfs/dbraw/zinc/28/38/82/602283882.db2.gz KGPBMOATUYALGQ-UHFFFAOYSA-N -1 0 343.404 3.537 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1)c1ccncc1 ZINC000827226558 602296433 /nfs/dbraw/zinc/29/64/33/602296433.db2.gz OLTJEYJMMFIRIT-LRDDRELGSA-N -1 0 346.814 3.561 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1ccncc1 ZINC000827234686 602296705 /nfs/dbraw/zinc/29/67/05/602296705.db2.gz IWLQZSFKGZAJOL-ZDUSSCGKSA-N -1 0 326.396 3.576 20 0 EHADRM C[C@@H](CC(=O)Nc1scc(C2CC2)c1C(=O)[O-])c1ccncc1 ZINC000827240995 602297957 /nfs/dbraw/zinc/29/79/57/602297957.db2.gz QQOHPNMKVFLCLB-JTQLQIEISA-N -1 0 330.409 3.851 20 0 EHADRM CN(CCCC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1)C(=O)[O-] ZINC000737429379 602302219 /nfs/dbraw/zinc/30/22/19/602302219.db2.gz GWZPGOZBEUSHKK-UHFFFAOYSA-N -1 0 348.349 3.960 20 0 EHADRM Cc1ccc2c(CNc3ccc(C(=O)[O-])c(F)c3)cc(=O)oc2c1C ZINC000832961662 602302279 /nfs/dbraw/zinc/30/22/79/602302279.db2.gz IUGRKFZBKQAVQK-UHFFFAOYSA-N -1 0 341.338 3.859 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)NC(C)(C)CNC(=O)[O-] ZINC000740039602 602309013 /nfs/dbraw/zinc/30/90/13/602309013.db2.gz FYMXINSSWCULEC-UHFFFAOYSA-N -1 0 340.379 3.670 20 0 EHADRM CC(C)c1ccc(CN(C)C(=O)C2CCC(NC(=O)[O-])CC2)cc1 ZINC000738883782 602337503 /nfs/dbraw/zinc/33/75/03/602337503.db2.gz SMDNTRAFRFKTRB-UHFFFAOYSA-N -1 0 332.444 3.595 20 0 EHADRM O=C([O-])[C@H](OC(=O)CC1CCSCC1)c1cccc(Cl)c1 ZINC000833097404 602343531 /nfs/dbraw/zinc/34/35/31/602343531.db2.gz MSPYJCKGLWBSGA-CQSZACIVSA-N -1 0 328.817 3.542 20 0 EHADRM Cc1cccc(CSCC(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000323253772 602353407 /nfs/dbraw/zinc/35/34/07/602353407.db2.gz ULHSBCWYYLXKML-UHFFFAOYSA-N -1 0 333.384 3.704 20 0 EHADRM CC(C)c1ccc([C@@H](C)NC(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1 ZINC000827117655 602354531 /nfs/dbraw/zinc/35/45/31/602354531.db2.gz GPOBSFTUCMSXTI-GFCCVEGCSA-N -1 0 329.400 3.729 20 0 EHADRM O=C([O-])N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2ccccc21 ZINC000740690114 602354713 /nfs/dbraw/zinc/35/47/13/602354713.db2.gz KVTGIBVQQSUOGD-SFHVURJKSA-N -1 0 334.375 3.657 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000325956239 602356785 /nfs/dbraw/zinc/35/67/85/602356785.db2.gz NRNMTEGSOKZZIE-UHFFFAOYSA-N -1 0 331.274 3.970 20 0 EHADRM CC(C)N(CCCNC(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000738847681 602357151 /nfs/dbraw/zinc/35/71/51/602357151.db2.gz YJGCCXNZBQIZHC-UHFFFAOYSA-N -1 0 333.215 3.502 20 0 EHADRM Cn1cc(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000833048160 602360940 /nfs/dbraw/zinc/36/09/40/602360940.db2.gz DEEHOYIIHNRYPV-CQSZACIVSA-N -1 0 347.802 3.746 20 0 EHADRM C[C@H](CCOc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000767207237 602361158 /nfs/dbraw/zinc/36/11/58/602361158.db2.gz KURYXGWPDGQTTK-GFCCVEGCSA-N -1 0 331.343 3.568 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000740037264 602365373 /nfs/dbraw/zinc/36/53/73/602365373.db2.gz OPGPMEJGQDTVNK-UHFFFAOYSA-N -1 0 344.411 3.512 20 0 EHADRM C[C@H](CCc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000325980241 602370163 /nfs/dbraw/zinc/37/01/63/602370163.db2.gz BGJIPRPTDRCFEI-GFCCVEGCSA-N -1 0 330.359 3.667 20 0 EHADRM CCCN(Cc1ccc(C)cc1)C(=O)C1CCC(NC(=O)[O-])CC1 ZINC000739361216 602372834 /nfs/dbraw/zinc/37/28/34/602372834.db2.gz ZFWPNCZDYMNOLQ-UHFFFAOYSA-N -1 0 332.444 3.560 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NC2(c3cccc(Cl)c3)CC2)cc1F ZINC000833153222 602374795 /nfs/dbraw/zinc/37/47/95/602374795.db2.gz IGRAVZHUEIAGLP-UHFFFAOYSA-N -1 0 348.761 3.988 20 0 EHADRM C[C@]1(c2ccccc2)CCN(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000828127490 602378066 /nfs/dbraw/zinc/37/80/66/602378066.db2.gz DLQFXJHRUVLRSV-IBGZPJMESA-N -1 0 342.370 3.719 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@@H]2CCc3c2cccc3Cl)cc1F ZINC000833153676 602384655 /nfs/dbraw/zinc/38/46/55/602384655.db2.gz OMDPJEUVEPVHHB-OAHLLOKOSA-N -1 0 348.761 3.986 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CC[C@@H](Cc3ccccc3)C2)cc1F ZINC000833320072 602391086 /nfs/dbraw/zinc/39/10/86/602391086.db2.gz SVPCPNPMPBCTKP-AWEZNQCLSA-N -1 0 342.370 3.620 20 0 EHADRM CCn1cc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)c2ccccc21 ZINC000776647029 602394091 /nfs/dbraw/zinc/39/40/91/602394091.db2.gz XVZHKUJZCOBAJO-UHFFFAOYSA-N -1 0 326.327 3.751 20 0 EHADRM C[C@H](C(=O)N(CC(=O)[O-])C1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000825972174 602398999 /nfs/dbraw/zinc/39/89/99/602398999.db2.gz MAFDRVURLMNYCH-JTQLQIEISA-N -1 0 344.238 3.953 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)cc1F ZINC000833153733 602403321 /nfs/dbraw/zinc/40/33/21/602403321.db2.gz QJIKGPKSJHUGOH-UHFFFAOYSA-N -1 0 342.370 3.767 20 0 EHADRM O=C([O-])Nc1cc(-c2nc(-c3ccc(F)c(F)c3)no2)ccc1F ZINC000740692695 602406868 /nfs/dbraw/zinc/40/68/68/602406868.db2.gz FMDSINYFTSODOA-UHFFFAOYSA-N -1 0 335.241 3.911 20 0 EHADRM Cc1cc(F)ccc1NC(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000740082849 602454247 /nfs/dbraw/zinc/45/42/47/602454247.db2.gz QEOMWOGPGUXOSK-MRXNPFEDSA-N -1 0 330.359 3.862 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)Nc1cccc2cccnc21)c1ccccc1 ZINC000740540342 602455445 /nfs/dbraw/zinc/45/54/45/602455445.db2.gz OTMLQBIORBGXDA-INIZCTEOSA-N -1 0 349.390 3.962 20 0 EHADRM Cc1ccccc1[C@H](C)NC(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000740186024 602455482 /nfs/dbraw/zinc/45/54/82/602455482.db2.gz XNZPRRXGXJBNPI-MAUKXSAKSA-N -1 0 340.423 3.961 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)N[C@@H]1CCCc2occc21)c1ccccc1 ZINC000740539496 602457634 /nfs/dbraw/zinc/45/76/34/602457634.db2.gz PIEBPFQMNIFHTA-JKSUJKDBSA-N -1 0 342.395 3.562 20 0 EHADRM CSc1ccccc1C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000740022802 602460952 /nfs/dbraw/zinc/46/09/52/602460952.db2.gz MTFBSEYDXHHWFZ-UHFFFAOYSA-N -1 0 330.409 3.771 20 0 EHADRM C[C@@H](NC(=O)[O-])C1CCN(C(=O)Nc2ccccc2C(C)(C)C)CC1 ZINC000739004468 602464664 /nfs/dbraw/zinc/46/46/64/602464664.db2.gz BLLHRVPUQIELEM-CYBMUJFWSA-N -1 0 347.459 3.884 20 0 EHADRM CC(C)C[C@@H]1CCCN1C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000738818986 602467360 /nfs/dbraw/zinc/46/73/60/602467360.db2.gz DJCGSQJEHRKKJD-DLBZAZTESA-N -1 0 332.444 3.813 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)N1CCC[C@H]1C1CCC1)c1ccccc1 ZINC000740537417 602474476 /nfs/dbraw/zinc/47/44/76/602474476.db2.gz KOPKDACDJWILQI-IRXDYDNUSA-N -1 0 330.428 3.567 20 0 EHADRM CCC(=O)c1ccc(OC(=O)c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000739207623 602480901 /nfs/dbraw/zinc/48/09/01/602480901.db2.gz GXCMYZOVPAULKT-UHFFFAOYSA-N -1 0 331.299 3.728 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2ccc(Cl)c(F)c2)ccc1F ZINC000740699789 602485187 /nfs/dbraw/zinc/48/51/87/602485187.db2.gz WVZTXXYFKLADIU-UHFFFAOYSA-N -1 0 326.686 3.960 20 0 EHADRM Cc1ccc(CCNC(=O)c2ccc(F)c(NC(=O)[O-])c2)c(C)c1 ZINC000740123972 602486429 /nfs/dbraw/zinc/48/64/29/602486429.db2.gz YLXHKMRGEGHVOF-UHFFFAOYSA-N -1 0 330.359 3.505 20 0 EHADRM CSc1ccccc1C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2 ZINC000740024438 602486671 /nfs/dbraw/zinc/48/66/71/602486671.db2.gz YIUFMOVKGYQOBY-UHFFFAOYSA-N -1 0 342.420 3.697 20 0 EHADRM Cc1ccccc1C(C)(C)CNC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000740183500 602487020 /nfs/dbraw/zinc/48/70/20/602487020.db2.gz LPJYYBKDMUHCCZ-UHFFFAOYSA-N -1 0 344.386 3.932 20 0 EHADRM CCCOc1ccc(OCC(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000739370446 602499462 /nfs/dbraw/zinc/49/94/62/602499462.db2.gz DQAIFXALFNGDTM-UHFFFAOYSA-N -1 0 344.367 3.583 20 0 EHADRM Cc1ccn(-c2ccc(C(=O)Nc3ccc(NC(=O)[O-])cc3)cc2)n1 ZINC000740194481 602502862 /nfs/dbraw/zinc/50/28/62/602502862.db2.gz RWNDRIWOJYHWLY-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM CCCN(CC)c1ccc(C(=O)Nc2ccc(NC(=O)[O-])cc2)cn1 ZINC000739358208 602504340 /nfs/dbraw/zinc/50/43/40/602504340.db2.gz LWRCRYWYCPHMMB-UHFFFAOYSA-N -1 0 342.399 3.660 20 0 EHADRM C[C@@H]1CCCC[C@]1(CNC(=O)[O-])NC(=O)c1ccc(C(F)F)cc1 ZINC000739097638 602509889 /nfs/dbraw/zinc/50/98/89/602509889.db2.gz GFJAXNMUZCWUNX-PIGZYNQJSA-N -1 0 340.370 3.571 20 0 EHADRM O=C([O-])NC[C@H]1CCCN(C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000740626127 602580538 /nfs/dbraw/zinc/58/05/38/602580538.db2.gz UTZMACFTQNNHOF-SECBINFHSA-N -1 0 346.214 3.505 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CNC(=O)Nc2ccc(NC(=O)[O-])cc2)o1 ZINC000739093806 602600790 /nfs/dbraw/zinc/60/07/90/602600790.db2.gz YGQASJNASRZAOI-QMTHXVAHSA-N -1 0 329.356 3.815 20 0 EHADRM Cc1ccc2c(c1C)OC[C@@H]2NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738297849 602603324 /nfs/dbraw/zinc/60/33/24/602603324.db2.gz PSLOQFAOBATAIA-HNNXBMFYSA-N -1 0 341.367 3.649 20 0 EHADRM C[C@H](CNC(=O)[O-])N(C)C(=O)Nc1cccc(-c2cccs2)c1 ZINC000738932284 602603486 /nfs/dbraw/zinc/60/34/86/602603486.db2.gz JYNBUCGOWPBAJL-LLVKDONJSA-N -1 0 333.413 3.535 20 0 EHADRM C[C@H](NC(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2)c1cccs1 ZINC000738978959 602609087 /nfs/dbraw/zinc/60/90/87/602609087.db2.gz DXWQKFCXSUICOU-NSHDSACASA-N -1 0 345.424 3.667 20 0 EHADRM Cc1cc(C)c(NC(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)c(C)n1 ZINC000740066108 602642798 /nfs/dbraw/zinc/64/27/98/602642798.db2.gz OOQFNTZREIBXDN-MRXNPFEDSA-N -1 0 341.411 3.734 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)N(C1CC1)C1CCCC1)c1ccccc1 ZINC000740531177 602643204 /nfs/dbraw/zinc/64/32/04/602643204.db2.gz DQFWNJZQAZTVJO-KRWDZBQOSA-N -1 0 330.428 3.709 20 0 EHADRM CC(C)OCCC(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000738857838 602643457 /nfs/dbraw/zinc/64/34/57/602643457.db2.gz KCZPNFACRWHAHD-UHFFFAOYSA-N -1 0 334.294 3.549 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)COC2CCCC2)c(C(F)(F)F)c1 ZINC000740710112 602644259 /nfs/dbraw/zinc/64/42/59/602644259.db2.gz YMWFBNHJKNOTFH-UHFFFAOYSA-N -1 0 346.305 3.693 20 0 EHADRM CCc1ccc(C(=O)N2CCCc3cc(CNC(=O)[O-])ccc32)cc1 ZINC000739545625 602645519 /nfs/dbraw/zinc/64/55/19/602645519.db2.gz ZCXVXVAVGNZLDY-UHFFFAOYSA-N -1 0 338.407 3.610 20 0 EHADRM CC[C@H](Nc1ccccc1)C(=O)Nc1ccc(OC)c(NC(=O)[O-])c1 ZINC000739268509 602667474 /nfs/dbraw/zinc/66/74/74/602667474.db2.gz GZYHLMIMOUTOIG-AWEZNQCLSA-N -1 0 343.383 3.614 20 0 EHADRM O=C([O-])N(CC(=O)Nc1ccccc1F)Cc1ccc(Cl)cc1 ZINC000740366439 602668203 /nfs/dbraw/zinc/66/82/03/602668203.db2.gz FJMIWTDMQZFLKE-UHFFFAOYSA-N -1 0 336.750 3.598 20 0 EHADRM CC[C@H](C)N(Cc1ccccc1)C(=O)C1CCC(NC(=O)[O-])CC1 ZINC000739243253 602675066 /nfs/dbraw/zinc/67/50/66/602675066.db2.gz FQSURVBFFYNSTH-OOHWJJMZSA-N -1 0 332.444 3.640 20 0 EHADRM O=C([O-])NCc1cccc(OC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000740680792 602728090 /nfs/dbraw/zinc/72/80/90/602728090.db2.gz VFZFHDNEZJLRSX-VXGBXAGGSA-N -1 0 345.317 3.728 20 0 EHADRM CCOC(=O)[C@H](Nc1ccc(OC)c(NC(=O)[O-])c1)c1ccccc1 ZINC000739467732 602744100 /nfs/dbraw/zinc/74/41/00/602744100.db2.gz GISZLUOFNKRNGF-MRXNPFEDSA-N -1 0 344.367 3.501 20 0 EHADRM Cc1sc(NC(=O)CCC(C)(C)NC(=O)[O-])nc1-c1ccccc1 ZINC000740280121 602784409 /nfs/dbraw/zinc/78/44/09/602784409.db2.gz JVEVRCYFPCUNSK-UHFFFAOYSA-N -1 0 347.440 3.883 20 0 EHADRM C[C@@H]1CCc2ccccc2N1C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739115961 602784920 /nfs/dbraw/zinc/78/49/20/602784920.db2.gz VQHOCGXCSJYOMI-LLVKDONJSA-N -1 0 328.343 3.897 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CCC(C)(C)NC(=O)[O-])C2CC2)o1 ZINC000739089263 602790657 /nfs/dbraw/zinc/79/06/57/602790657.db2.gz YSCAQFVYTHFZHH-IUODEOHRSA-N -1 0 348.443 3.720 20 0 EHADRM O=C([O-])NC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(Cl)ccc1Cl ZINC000740636726 602792984 /nfs/dbraw/zinc/79/29/84/602792984.db2.gz WLPXNMSSUOSWKB-ZANVPECISA-N -1 0 345.226 3.550 20 0 EHADRM Cc1ccc(-c2ccncc2)cc1NC(=O)CCC(C)(C)NC(=O)[O-] ZINC000740095999 602801881 /nfs/dbraw/zinc/80/18/81/602801881.db2.gz UOVNHJORTOPPQQ-UHFFFAOYSA-N -1 0 341.411 3.822 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)CCC(C)(C)NC(=O)[O-])cc1 ZINC000739519843 602803070 /nfs/dbraw/zinc/80/30/70/602803070.db2.gz ZAMWTROCBAZQBK-LBPRGKRZSA-N -1 0 338.473 3.802 20 0 EHADRM CC[C@H](NC(=O)CCC(C)(C)NC(=O)[O-])c1ccc(Cl)s1 ZINC000739264121 602808346 /nfs/dbraw/zinc/80/83/46/602808346.db2.gz QZTQEPHXTGUZFH-VIFPVBQESA-N -1 0 332.853 3.795 20 0 EHADRM CC(C)C(=O)Nc1ccc(-c2csc(CN(C)C(=O)[O-])n2)cc1 ZINC000738764430 602810335 /nfs/dbraw/zinc/81/03/35/602810335.db2.gz HUACVVMIJLARJL-UHFFFAOYSA-N -1 0 333.413 3.514 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)Nc2ccccc2CC(F)(F)F)C1 ZINC000740565595 602811896 /nfs/dbraw/zinc/81/18/96/602811896.db2.gz OKKIWGOHRLIWQT-PWSUYJOCSA-N -1 0 344.333 3.556 20 0 EHADRM CC[C@@H]1CN(C(=O)Cc2ccc(NC(=O)[O-])cc2)c2ccccc2O1 ZINC000739263219 602813181 /nfs/dbraw/zinc/81/31/81/602813181.db2.gz BQMNMHWLSCQUOX-OAHLLOKOSA-N -1 0 340.379 3.523 20 0 EHADRM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)CCCCCCNC(=O)[O-])C1 ZINC000740181211 602842203 /nfs/dbraw/zinc/84/22/03/602842203.db2.gz NRTSYOMJNLJLRV-IRXDYDNUSA-N -1 0 346.471 3.918 20 0 EHADRM Cc1ccc(C[C@H]2CCCN2C(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000738590032 602845000 /nfs/dbraw/zinc/84/50/00/602845000.db2.gz YWFGHZKMCJBGGW-GOSISDBHSA-N -1 0 338.407 3.932 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000740714585 602878520 /nfs/dbraw/zinc/87/85/20/602878520.db2.gz UFVPMQVNCLLAFB-UWVGGRQHSA-N -1 0 332.306 3.797 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CCCC[C@H]2c2ccco2)ccc1F ZINC000740694817 602881688 /nfs/dbraw/zinc/88/16/88/602881688.db2.gz AMWLWCPTZFQGSS-AWEZNQCLSA-N -1 0 332.331 3.876 20 0 EHADRM CCCCCC[C@@](C)(CC)C(=O)N1CCC(N(C)C(=O)[O-])CC1 ZINC000826820310 602883162 /nfs/dbraw/zinc/88/31/62/602883162.db2.gz KZDFAHSLJNKICZ-GOSISDBHSA-N -1 0 326.481 3.974 20 0 EHADRM CC[C@H](OC(=O)c1ccc(NC(=O)[O-])cc1)C(=O)c1ccccc1 ZINC000736927981 602889695 /nfs/dbraw/zinc/88/96/95/602889695.db2.gz RAHWHAABLHCQQE-HNNXBMFYSA-N -1 0 327.336 3.595 20 0 EHADRM CSCc1cccc(NC(=O)[C@@H](CNC(=O)[O-])c2ccccc2)c1 ZINC000829753334 602901127 /nfs/dbraw/zinc/90/11/27/602901127.db2.gz GHKXXJUOIXAFBG-INIZCTEOSA-N -1 0 344.436 3.540 20 0 EHADRM CCCCc1ccc(NC(=O)N2CC[C@H](NC(=O)[O-])[C@H](C)C2)cc1 ZINC000739340226 602908767 /nfs/dbraw/zinc/90/87/67/602908767.db2.gz BKOSUNJFFRPLGG-CJNGLKHVSA-N -1 0 333.432 3.539 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)N1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000740159128 602909698 /nfs/dbraw/zinc/90/96/98/602909698.db2.gz OBLWQBFCIXEZTP-ZFWWWQNUSA-N -1 0 333.432 3.628 20 0 EHADRM CC(C)CCc1ccc(NC(=O)N2CC[C@H](NC(=O)[O-])[C@@H](C)C2)cc1 ZINC000738822672 602917558 /nfs/dbraw/zinc/91/75/58/602917558.db2.gz QCKPSCFBIILMOP-YOEHRIQHSA-N -1 0 347.459 3.785 20 0 EHADRM CC[C@H]1CCC[C@@H](NC(=O)Nc2ccccc2CN(C)C(=O)[O-])C1 ZINC000739264955 602925927 /nfs/dbraw/zinc/92/59/27/602925927.db2.gz HFPNVYWKMCXRCD-DZGCQCFKSA-N -1 0 333.432 3.887 20 0 EHADRM Cc1cccc([C@@H](C)C(=O)Nc2cccc(CN(C)C(=O)[O-])c2)c1 ZINC000740156870 602954906 /nfs/dbraw/zinc/95/49/06/602954906.db2.gz DNXKASGKJAKTEH-CQSZACIVSA-N -1 0 326.396 3.847 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000824404972 602961265 /nfs/dbraw/zinc/96/12/65/602961265.db2.gz OYIOPFYODJUJAI-NSHDSACASA-N -1 0 340.807 3.598 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)c2cc(-c3ccccc3F)on2)cc1 ZINC000738669756 602967345 /nfs/dbraw/zinc/96/73/45/602967345.db2.gz PGOQDEZTKAXUDP-UHFFFAOYSA-N -1 0 342.282 3.790 20 0 EHADRM O=C([O-])N1CCC[C@H]1CC(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000831340584 602985604 /nfs/dbraw/zinc/98/56/04/602985604.db2.gz XXJVLAFRBYPYSM-KRWDZBQOSA-N -1 0 345.443 3.538 20 0 EHADRM CCc1ocnc1C(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000739560894 602987321 /nfs/dbraw/zinc/98/73/21/602987321.db2.gz VMJDUVFMEUUPBC-UHFFFAOYSA-N -1 0 343.261 3.598 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(-c2cc(Cl)c(Cl)[nH]2)n1 ZINC000738817959 603001090 /nfs/dbraw/zinc/00/10/90/603001090.db2.gz WCOJJSUJMIZHHK-ZETCQYMHSA-N -1 0 333.175 3.726 20 0 EHADRM O=C([O-])NC1(c2noc(/C=C\c3ccc(Cl)s3)n2)CCCC1 ZINC000740550397 603003838 /nfs/dbraw/zinc/00/38/38/603003838.db2.gz VVZMMCRPRHDHDR-XQRVVYSFSA-N -1 0 339.804 3.992 20 0 EHADRM C[C@@H](CSc1ccccc1)c1nc(C2(NC(=O)[O-])CCC2)no1 ZINC000738947614 603004395 /nfs/dbraw/zinc/00/43/95/603004395.db2.gz DUVQOLUFYXEBCU-NSHDSACASA-N -1 0 333.413 3.612 20 0 EHADRM Cc1ccc(-c2noc(CC[C@@H](NC(=O)[O-])c3ccccc3)n2)cc1 ZINC000740103344 603006182 /nfs/dbraw/zinc/00/61/82/603006182.db2.gz UQGXXRMMXBWNSP-MRXNPFEDSA-N -1 0 337.379 3.987 20 0 EHADRM CC[C@@H](c1ccncc1)N(CC)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736929644 603008717 /nfs/dbraw/zinc/00/87/17/603008717.db2.gz OOTWIWYQLSHKGE-INIZCTEOSA-N -1 0 327.384 3.785 20 0 EHADRM CCSc1ccccc1C(=O)NC[C@H](NC(=O)[O-])c1ccccc1 ZINC000739520154 603025357 /nfs/dbraw/zinc/02/53/57/603025357.db2.gz GLBSBIZHMXMWTN-HNNXBMFYSA-N -1 0 344.436 3.537 20 0 EHADRM CCN(Cc1cccc(NC(=O)c2sc(C)cc2OC)c1)C(=O)[O-] ZINC000739446479 603027104 /nfs/dbraw/zinc/02/71/04/603027104.db2.gz JNQITIOQKQEGJO-UHFFFAOYSA-N -1 0 348.424 3.817 20 0 EHADRM O=C([O-])N[C@H](CNC(=O)Cc1ccc2ccccc2c1)c1ccccc1 ZINC000740538841 603029445 /nfs/dbraw/zinc/02/94/45/603029445.db2.gz RBGUKDZJQFVJNG-LJQANCHMSA-N -1 0 348.402 3.507 20 0 EHADRM CC(C)N(Cc1ccco1)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000738852908 603035522 /nfs/dbraw/zinc/03/55/22/603035522.db2.gz LSIFZGVEZCTWKR-UHFFFAOYSA-N -1 0 335.335 3.951 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)CCc2cccc(F)c2F)cc1 ZINC000827908441 603039611 /nfs/dbraw/zinc/03/96/11/603039611.db2.gz LKUNSQJJMUCJHH-UHFFFAOYSA-N -1 0 335.306 3.617 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)CC1CCN(C(=O)[O-])CC1 ZINC000739258845 603044629 /nfs/dbraw/zinc/04/46/29/603044629.db2.gz XDVZTPHYZHIVOL-GOSISDBHSA-N -1 0 346.471 3.555 20 0 EHADRM CC(C)(CC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1)NC(=O)[O-] ZINC000738731573 603046953 /nfs/dbraw/zinc/04/69/53/603046953.db2.gz MNVGJEOWCJHHQS-INIZCTEOSA-N -1 0 343.427 3.658 20 0 EHADRM Cc1ccc(SCC(=O)Oc2ccc(N(C)C(=O)[O-])cc2)cc1 ZINC000830427207 603047009 /nfs/dbraw/zinc/04/70/09/603047009.db2.gz FXQQGGBQLQLDGZ-UHFFFAOYSA-N -1 0 331.393 3.807 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)CCc2cc(F)ccc2F)cc1 ZINC000827908736 603048282 /nfs/dbraw/zinc/04/82/82/603048282.db2.gz QNCWRONXHBIYDE-UHFFFAOYSA-N -1 0 335.306 3.617 20 0 EHADRM CSCc1ccc(C(=O)Oc2ccc(N(C)C(=O)[O-])cc2)cc1 ZINC000829753693 603050876 /nfs/dbraw/zinc/05/08/76/603050876.db2.gz IEEXSPFFRQVHLM-UHFFFAOYSA-N -1 0 331.393 3.883 20 0 EHADRM Cc1ccc(Cl)c(OCC(=O)Oc2ccc(N(C)C(=O)[O-])cc2)c1 ZINC000830328004 603051057 /nfs/dbraw/zinc/05/10/57/603051057.db2.gz CDWCSTGOGXEQLH-UHFFFAOYSA-N -1 0 349.770 3.747 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)CCCOc2ccc(F)cc2)cc1 ZINC000827908437 603051423 /nfs/dbraw/zinc/05/14/23/603051423.db2.gz LHSLOVSXFNWJEM-UHFFFAOYSA-N -1 0 347.342 3.705 20 0 EHADRM C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)CCNC(=O)[O-] ZINC000825624312 603085215 /nfs/dbraw/zinc/08/52/15/603085215.db2.gz VOIVHQJQFJWTKP-CQSZACIVSA-N -1 0 326.396 3.531 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NCC(=O)Nc2ccccc2Cl)cc1 ZINC000739016617 603103395 /nfs/dbraw/zinc/10/33/95/603103395.db2.gz JIXWWCILTFJHCV-LLVKDONJSA-N -1 0 347.802 3.719 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NCC2(c3cccc(F)c3)CC2)cc1 ZINC000738665435 603138846 /nfs/dbraw/zinc/13/88/46/603138846.db2.gz MKAUYTWXUSXQMS-UHFFFAOYSA-N -1 0 343.358 3.769 20 0 EHADRM C[C@H](OC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1)c1nc2ccccc2s1 ZINC000739043309 603153478 /nfs/dbraw/zinc/15/34/78/603153478.db2.gz HNEBYROYRTVYPK-SDDRHHMPSA-N -1 0 348.424 3.727 20 0 EHADRM Cc1cc(Cl)ccc1NC(=O)COc1ccc(NC(=O)[O-])cc1 ZINC000738230069 603156699 /nfs/dbraw/zinc/15/66/99/603156699.db2.gz OQWVFPQYYNQIOY-UHFFFAOYSA-N -1 0 334.759 3.756 20 0 EHADRM COc1cc(NC(=O)c2cc3occc3s2)ccc1NC(=O)[O-] ZINC000739869880 603169221 /nfs/dbraw/zinc/16/92/21/603169221.db2.gz ITYFVXDPVKZYDI-UHFFFAOYSA-N -1 0 332.337 3.845 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)CSc2ccccc2)cc1 ZINC000825421548 603171006 /nfs/dbraw/zinc/17/10/06/603171006.db2.gz AFYLHLOZVYYMTF-GFCCVEGCSA-N -1 0 330.409 3.746 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)CSc2ccc(F)cc2)cc1 ZINC000825423539 603174892 /nfs/dbraw/zinc/17/48/92/603174892.db2.gz QWRQGGUEQQWLGM-NSHDSACASA-N -1 0 348.399 3.885 20 0 EHADRM Cc1cccc(OCCC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)c1 ZINC000830527698 603175996 /nfs/dbraw/zinc/17/59/96/603175996.db2.gz OABMXTDXUPJORY-CQSZACIVSA-N -1 0 342.395 3.731 20 0 EHADRM CCSc1ccc(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)cn1 ZINC000827508088 603177952 /nfs/dbraw/zinc/17/79/52/603177952.db2.gz JNONHJWGNLOWET-LLVKDONJSA-N -1 0 345.424 3.775 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)[C@@H](C)c2ccccc2F)cc1 ZINC000825415905 603180730 /nfs/dbraw/zinc/18/07/30/603180730.db2.gz ICFUDIPPYYTDAM-RYUDHWBXSA-N -1 0 330.359 3.897 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)CNc2cccc(Cl)c2)cc1 ZINC000825423137 603184681 /nfs/dbraw/zinc/18/46/81/603184681.db2.gz NVKYMKVQOIUYCT-NSHDSACASA-N -1 0 347.802 3.719 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)CCc2cc(F)ccc2F)cc1 ZINC000825418893 603189433 /nfs/dbraw/zinc/18/94/33/603189433.db2.gz YSXJUNXSMYFRON-NSHDSACASA-N -1 0 348.349 3.865 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)C(C)(C)c2ccccc2)cc1 ZINC000825418709 603195098 /nfs/dbraw/zinc/19/50/98/603195098.db2.gz WBZWLAWAPZSRCE-ZDUSSCGKSA-N -1 0 326.396 3.932 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)C2(c3ccccc3F)CC2)c1 ZINC000740703253 603197639 /nfs/dbraw/zinc/19/76/39/603197639.db2.gz CVABMVNSNKPXDB-UHFFFAOYSA-N -1 0 332.306 3.725 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NCCCc2ccccc2)c(Cl)c1 ZINC000740698648 603201042 /nfs/dbraw/zinc/20/10/42/603201042.db2.gz LUAJCGVRIOWLHR-UHFFFAOYSA-N -1 0 332.787 3.793 20 0 EHADRM CC[C@H](NC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1)c1ccc(Cl)s1 ZINC000739262317 603206782 /nfs/dbraw/zinc/20/67/82/603206782.db2.gz ZRXUHVLRXXFHSC-AXFHLTTASA-N -1 0 344.864 3.795 20 0 EHADRM CC(C)(C)Oc1ccccc1NC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000738726305 603207211 /nfs/dbraw/zinc/20/72/11/603207211.db2.gz SWOLEOWSOKECAA-OLZOCXBDSA-N -1 0 334.416 3.629 20 0 EHADRM CCS[C@H]1CC[C@H](N(C)C(=O)c2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000827494682 603209155 /nfs/dbraw/zinc/20/91/55/603209155.db2.gz CRTGLTPZQGEHKQ-RYUDHWBXSA-N -1 0 340.420 3.662 20 0 EHADRM CCOc1ccc(NC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000827432911 603211052 /nfs/dbraw/zinc/21/10/52/603211052.db2.gz DMMMTFOVHQYUPQ-SUMWQHHRSA-N -1 0 342.395 3.669 20 0 EHADRM COc1ccc(Cl)cc1NC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000829404332 603213702 /nfs/dbraw/zinc/21/37/02/603213702.db2.gz LAQBBZFGLLXOMB-UHFFFAOYSA-N -1 0 334.759 3.999 20 0 EHADRM C[C@H](C(=O)Nc1ccc(F)c(F)c1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823716055 603216087 /nfs/dbraw/zinc/21/60/87/603216087.db2.gz WGVVXULLVCRZBQ-BONVTDFDSA-N -1 0 334.322 3.548 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2cc(C3CCCC3)[nH]n2)ccc1F ZINC000740696389 603229711 /nfs/dbraw/zinc/22/97/11/603229711.db2.gz BJGNNAIGNSVOMG-UHFFFAOYSA-N -1 0 332.335 3.549 20 0 EHADRM Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000830554689 603236189 /nfs/dbraw/zinc/23/61/89/603236189.db2.gz ONGIHOXLTRZUOG-RVKKMQEKSA-N -1 0 340.423 3.817 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@@H]2CCc3ccc(F)cc32)c(Cl)c1 ZINC000740700070 603244541 /nfs/dbraw/zinc/24/45/41/603244541.db2.gz ZRJCYYHKSLWBLE-OAHLLOKOSA-N -1 0 348.761 3.986 20 0 EHADRM CSc1ccc(NC(=O)[C@H](C)[C@@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000829767008 603250957 /nfs/dbraw/zinc/25/09/57/603250957.db2.gz XHGWVCKVMHYGCE-MLGOLLRUSA-N -1 0 344.436 3.992 20 0 EHADRM Cc1ccc(C(=O)N(C)CCOc2ccccc2C)cc1NC(=O)[O-] ZINC000830181968 603259831 /nfs/dbraw/zinc/25/98/31/603259831.db2.gz KYXBBMDUABAIEA-UHFFFAOYSA-N -1 0 342.395 3.544 20 0 EHADRM CCOc1ccc(NC(=O)[C@@H](NC(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000739508713 603262425 /nfs/dbraw/zinc/26/24/25/603262425.db2.gz XTFPHPJHFSVWEX-HNNXBMFYSA-N -1 0 348.786 3.686 20 0 EHADRM O=C([O-])N1CCC[C@H]1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000831346800 603265493 /nfs/dbraw/zinc/26/54/93/603265493.db2.gz XDYOAPXNEGWPKN-KRWDZBQOSA-N -1 0 338.407 3.748 20 0 EHADRM COc1ccc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1NC(=O)[O-] ZINC000829465201 603270991 /nfs/dbraw/zinc/27/09/91/603270991.db2.gz KOLSWEXGILPJIZ-RWMBFGLXSA-N -1 0 347.415 3.875 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2C(=O)CC2CCN(C(=O)[O-])CC2)cc1 ZINC000740118262 603277221 /nfs/dbraw/zinc/27/72/21/603277221.db2.gz OCEZULUDDLDNAA-SFHVURJKSA-N -1 0 344.455 3.829 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2C(=O)C2CCC(NC(=O)[O-])CC2)cc1 ZINC000740119221 603277469 /nfs/dbraw/zinc/27/74/69/603277469.db2.gz UDBIVEFQWRPQMT-ABHNRTSZSA-N -1 0 344.455 3.875 20 0 EHADRM O=C([O-])N1CCc2c(cccc2NC(=O)N2CCC[C@@H]2C2CCC2)C1 ZINC000740530427 603292928 /nfs/dbraw/zinc/29/29/28/603292928.db2.gz WRZWQRDCENATEQ-QGZVFWFLSA-N -1 0 343.427 3.519 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC000740026804 603294607 /nfs/dbraw/zinc/29/46/07/603294607.db2.gz DRVZIKCQPYOLJR-AWEZNQCLSA-N -1 0 342.370 3.620 20 0 EHADRM Cc1ccsc1C(=O)N(c1ccc(CNC(=O)[O-])cc1C)C1CC1 ZINC000740076673 603297180 /nfs/dbraw/zinc/29/71/80/603297180.db2.gz KFUYTFPLZMRYRY-UHFFFAOYSA-N -1 0 344.436 3.942 20 0 EHADRM Cc1cc2c[nH]nc2cc1NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000740094141 603299164 /nfs/dbraw/zinc/29/91/64/603299164.db2.gz CVWAXAKWJQCCLO-UHFFFAOYSA-N -1 0 344.758 3.867 20 0 EHADRM Cc1ccc(O[C@@H](C)CNC(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000830401102 603311161 /nfs/dbraw/zinc/31/11/61/603311161.db2.gz RRSQKZBOSBNJNI-ZDUSSCGKSA-N -1 0 343.383 3.674 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)N3CCC4(CCCC4)C3)ccc21 ZINC000831772507 603313679 /nfs/dbraw/zinc/31/36/79/603313679.db2.gz GYGKPPLFQSCKNO-UHFFFAOYSA-N -1 0 343.427 3.915 20 0 EHADRM CCN(Cc1cccc(NC(=O)[C@@H](C)c2ccc(C)o2)c1)C(=O)[O-] ZINC000827167871 603321072 /nfs/dbraw/zinc/32/10/72/603321072.db2.gz PZECHLCWXLLPHJ-ZDUSSCGKSA-N -1 0 330.384 3.830 20 0 EHADRM Cc1ccccc1C[C@H](C)NC(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000740183375 603323932 /nfs/dbraw/zinc/32/39/32/603323932.db2.gz JJRCFFQHHYBLLE-AWEZNQCLSA-N -1 0 341.411 3.515 20 0 EHADRM C[C@H]1c2ccsc2CCN1C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739206667 603327724 /nfs/dbraw/zinc/32/77/24/603327724.db2.gz KVCYYXZKBWIKAF-NSHDSACASA-N -1 0 345.424 3.667 20 0 EHADRM CN(Cc1ccccc1NC(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1)C(=O)[O-] ZINC000828400294 603330643 /nfs/dbraw/zinc/33/06/43/603330643.db2.gz WMHHOVQJZMDUFA-IIAWOOMASA-N -1 0 345.443 3.887 20 0 EHADRM Cc1cccc(C(C)(C)NC(=O)Nc2cccc(CNC(=O)[O-])c2)c1 ZINC000740159876 603331299 /nfs/dbraw/zinc/33/12/99/603331299.db2.gz SMJYOWAIXBSILQ-UHFFFAOYSA-N -1 0 341.411 3.819 20 0 EHADRM Cc1ccc(C(=O)N2CCc3cc(F)c(F)cc32)cc1NC(=O)[O-] ZINC000830199172 603333963 /nfs/dbraw/zinc/33/39/63/603333963.db2.gz USGHIRRDVBMTDT-UHFFFAOYSA-N -1 0 332.306 3.566 20 0 EHADRM C[C@@H]1CCC[C@@H](C)N(C(=O)Nc2cccc(CN(C)C(=O)[O-])c2)C1 ZINC000825888000 603336423 /nfs/dbraw/zinc/33/64/23/603336423.db2.gz NHCGDSUFBLIWLJ-ZIAGYGMSSA-N -1 0 333.432 3.839 20 0 EHADRM CN(Cc1ccccc1NC(=O)N1CCC[C@@H]1C1CCC1)C(=O)[O-] ZINC000739716584 603337594 /nfs/dbraw/zinc/33/75/94/603337594.db2.gz XNMATIDVDYEEHR-MRXNPFEDSA-N -1 0 331.416 3.593 20 0 EHADRM CCCCN(C(=O)Nc1cccc(CN(CC)C(=O)[O-])c1)C1CC1 ZINC000739326617 603345303 /nfs/dbraw/zinc/34/53/03/603345303.db2.gz IRHPOQLWFWZPKV-UHFFFAOYSA-N -1 0 333.432 3.983 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N2CCc3sccc3C2)cc1 ZINC000825426500 603369485 /nfs/dbraw/zinc/36/94/85/603369485.db2.gz FPGWQQGQOWIEHB-LLVKDONJSA-N -1 0 345.424 3.667 20 0 EHADRM O=C([O-])N1CCC[C@@H]1CC(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000832006663 603371636 /nfs/dbraw/zinc/37/16/36/603371636.db2.gz UDCRERYNPKXOEL-IUODEOHRSA-N -1 0 336.819 3.536 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N(C)[C@H](C)c2cccnc2)cc1 ZINC000825423801 603376135 /nfs/dbraw/zinc/37/61/35/603376135.db2.gz VHCSGEIMLYXDEM-CHWSQXEVSA-N -1 0 342.399 3.635 20 0 EHADRM Cc1occc1CN(C)C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000830948911 603378174 /nfs/dbraw/zinc/37/81/74/603378174.db2.gz PZHNXIRHICTGFD-NSHDSACASA-N -1 0 331.372 3.581 20 0 EHADRM Cc1ccc(NC(=S)NC[C@H](NC(=O)[O-])c2ccccc2)cc1C ZINC000740139891 603378921 /nfs/dbraw/zinc/37/89/21/603378921.db2.gz XSWSYDCEBXJWKU-INIZCTEOSA-N -1 0 343.452 3.599 20 0 EHADRM COc1cc(NC(=O)C2(c3cccc(F)c3)CC2)ccc1NC(=O)[O-] ZINC000739868457 603382653 /nfs/dbraw/zinc/38/26/53/603382653.db2.gz TVJNGXMSVUGPIU-UHFFFAOYSA-N -1 0 344.342 3.595 20 0 EHADRM CC(C)(C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2)c1cccs1 ZINC000738661951 603390384 /nfs/dbraw/zinc/39/03/84/603390384.db2.gz NGNURBYUWANNQQ-UHFFFAOYSA-N -1 0 344.436 3.701 20 0 EHADRM CN(Cc1ccccc1NC(=O)c1cnc2ccsc2c1)C(=O)[O-] ZINC000739717678 603403778 /nfs/dbraw/zinc/40/37/78/603403778.db2.gz KVPKQOYCYCCJOE-UHFFFAOYSA-N -1 0 341.392 3.658 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)c2ccc(CNC(=O)[O-])o2)c1 ZINC000824244190 603413463 /nfs/dbraw/zinc/41/34/63/603413463.db2.gz DWORFMIMTXLAGQ-UHFFFAOYSA-N -1 0 346.383 3.724 20 0 EHADRM O=C([O-])NC1(c2noc([C@@H]3C[C@H]3c3cccc(F)c3F)n2)CCCC1 ZINC000832227083 603416514 /nfs/dbraw/zinc/41/65/14/603416514.db2.gz ATYORFFCGDENGV-WDEREUQCSA-N -1 0 349.337 3.656 20 0 EHADRM Cc1ccc(C)c(NC(=O)NCCc2ccc(NC(=O)[O-])cc2)c1 ZINC000738574391 603461434 /nfs/dbraw/zinc/46/14/34/603461434.db2.gz MHXXWKUTBSPADS-UHFFFAOYSA-N -1 0 327.384 3.758 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Oc2cccc(NC(=O)[O-])c2)cc1C ZINC000830175573 603478149 /nfs/dbraw/zinc/47/81/49/603478149.db2.gz ASGWDBIKSFUNKJ-UHFFFAOYSA-N -1 0 341.363 3.962 20 0 EHADRM Cc1sc(NC(=O)COc2cccc(NC(=O)[O-])c2)c(C)c1C ZINC000830957898 603510888 /nfs/dbraw/zinc/51/08/88/603510888.db2.gz UBAZTGXWJFDUIM-UHFFFAOYSA-N -1 0 334.397 3.781 20 0 EHADRM O=C([O-])Nc1ccc(C(F)(F)F)cc1NC(=O)CCOCC1CC1 ZINC000832838053 603514479 /nfs/dbraw/zinc/51/44/79/603514479.db2.gz CYTDSHSDQOSPDV-UHFFFAOYSA-N -1 0 346.305 3.551 20 0 EHADRM Cc1csc(COC(=O)c2ccc(NC(=O)[O-])cc2Cl)n1 ZINC000830666183 603519063 /nfs/dbraw/zinc/51/90/63/603519063.db2.gz BVUASHBZGHGAKV-UHFFFAOYSA-N -1 0 326.761 3.552 20 0 EHADRM CCC(CC)(CNc1nc(C(F)F)nc2ccccc21)NC(=O)[O-] ZINC000826566540 603523635 /nfs/dbraw/zinc/52/36/35/603523635.db2.gz NUCMXCIIPWLHHR-UHFFFAOYSA-N -1 0 338.358 3.806 20 0 EHADRM CCOc1c(F)cccc1C(=O)Nc1cc(OC)ccc1NC(=O)[O-] ZINC000827408999 603532548 /nfs/dbraw/zinc/53/25/48/603532548.db2.gz LCZLTCGNRQOZGH-UHFFFAOYSA-N -1 0 348.330 3.575 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NC(C)(C)C(C)C ZINC000829172800 603536124 /nfs/dbraw/zinc/53/61/24/603536124.db2.gz BUEAFJZTQPHIRT-UHFFFAOYSA-N -1 0 328.796 3.603 20 0 EHADRM O=C([O-])Nc1ccc(CNCc2c(Cl)cccc2Cl)cn1 ZINC000832842504 603545921 /nfs/dbraw/zinc/54/59/21/603545921.db2.gz YRKDLBRNONFSTI-UHFFFAOYSA-N -1 0 326.183 3.768 20 0 EHADRM Cc1cccc(NC(=O)N2CCC(CN(C)C(=O)[O-])CC2)c1Cl ZINC000830516614 603609176 /nfs/dbraw/zinc/60/91/76/603609176.db2.gz HPLCNGWFZNGXSO-UHFFFAOYSA-N -1 0 339.823 3.502 20 0 EHADRM C[C@@H](CCOc1ccccc1)C(=O)Nc1ccccc1NC(=O)[O-] ZINC000824809639 603615410 /nfs/dbraw/zinc/61/54/10/603615410.db2.gz IQLRBQPAIZRPHR-ZDUSSCGKSA-N -1 0 328.368 3.820 20 0 EHADRM Cc1ccccc1-c1noc(COc2cccc(NC(=O)[O-])c2)n1 ZINC000830548272 603633769 /nfs/dbraw/zinc/63/37/69/603633769.db2.gz CBKNWKXIEPJDML-UHFFFAOYSA-N -1 0 325.324 3.714 20 0 EHADRM Cc1c2c(sc1NC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1)CCCC2 ZINC000829877277 603634435 /nfs/dbraw/zinc/63/44/35/603634435.db2.gz MEEJVVQXGSRZPG-NEPJUHHUSA-N -1 0 336.457 3.700 20 0 EHADRM Cc1ccc2c(Cl)c(C(=O)NCC(C)(C)NC(=O)[O-])sc2c1 ZINC000830439628 603656462 /nfs/dbraw/zinc/65/64/62/603656462.db2.gz PNMMFXDBDYURNA-UHFFFAOYSA-N -1 0 340.832 3.639 20 0 EHADRM CCC(CC)(CNC(=O)c1cc(Cl)ccc1Cl)NC(=O)[O-] ZINC000826552553 603726125 /nfs/dbraw/zinc/72/61/25/603726125.db2.gz MPHDFQDEVYKRKT-UHFFFAOYSA-N -1 0 333.215 3.550 20 0 EHADRM CC(C)(CCC(=O)N1CCCC[C@H]1c1ccc(F)cc1)NC(=O)[O-] ZINC000823885416 603752438 /nfs/dbraw/zinc/75/24/38/603752438.db2.gz FUYJAUZZFNNTTP-HNNXBMFYSA-N -1 0 336.407 3.706 20 0 EHADRM O=C([O-])NC1(c2noc(C3(c4ccccc4)CCC3)n2)CCCC1 ZINC000832227473 603771270 /nfs/dbraw/zinc/77/12/70/603771270.db2.gz HLEPVBOOELYXAG-UHFFFAOYSA-N -1 0 327.384 3.577 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N(CCC(F)(F)F)CC2CC2)cc1 ZINC000832829569 603776906 /nfs/dbraw/zinc/77/69/06/603776906.db2.gz VSTOOHBUPBOZBQ-UHFFFAOYSA-N -1 0 330.306 3.581 20 0 EHADRM CCN(Cc1cccc(NC(=O)N(C)[C@H](C)C2(C)CC2)c1)C(=O)[O-] ZINC000827167865 603809639 /nfs/dbraw/zinc/80/96/39/603809639.db2.gz PWIOEWDBRDQFJN-CYBMUJFWSA-N -1 0 333.432 3.839 20 0 EHADRM O=C([O-])NCCC(=O)Nc1cc(Cl)ccc1NCc1ccccc1 ZINC000832599620 603817153 /nfs/dbraw/zinc/81/71/53/603817153.db2.gz VYGUOPRSQMMRQM-UHFFFAOYSA-N -1 0 347.802 3.548 20 0 EHADRM Cc1ccc(C)c(NC(=S)N(C)CC[C@@H](NC(=O)[O-])C(C)C)c1 ZINC000830275270 603831566 /nfs/dbraw/zinc/83/15/66/603831566.db2.gz QRFYLDNTOQIPIM-CQSZACIVSA-N -1 0 337.489 3.614 20 0 EHADRM O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)N1CCC3(CCCCC3)CC1)C2 ZINC000831300000 603874960 /nfs/dbraw/zinc/87/49/60/603874960.db2.gz RZBHEXZKYWKLIX-ALOPSCKCSA-N -1 0 348.487 3.870 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)C1(NC(=O)[O-])CCCC1 ZINC000830262701 603882851 /nfs/dbraw/zinc/88/28/51/603882851.db2.gz XBBBKKIHZUJQSJ-UHFFFAOYSA-N -1 0 330.306 3.533 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)Nc2ccc(Cl)cn2)cc1 ZINC000825442366 603903540 /nfs/dbraw/zinc/90/35/40/603903540.db2.gz DZHUOFDSOOFHFY-VIFPVBQESA-N -1 0 334.763 3.708 20 0 EHADRM Cc1ccc([C@@H](C)CNC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc1 ZINC000830252652 603904990 /nfs/dbraw/zinc/90/49/90/603904990.db2.gz ZLWRTBXWGRUTEX-UNPWZGGWSA-N -1 0 344.455 3.526 20 0 EHADRM Cc1ccc(C(=O)N2CCCC[C@@H]2c2cccn2C)cc1NC(=O)[O-] ZINC000830193291 603926971 /nfs/dbraw/zinc/92/69/71/603926971.db2.gz UQZUWPZFDSQCLZ-QGZVFWFLSA-N -1 0 341.411 3.791 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)Nc2cccc(CCC(F)(F)F)c2)C1 ZINC000832284244 603929617 /nfs/dbraw/zinc/92/96/17/603929617.db2.gz ARZUUUJUKQOLDV-WCQYABFASA-N -1 0 344.333 3.556 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)c1ccc(OC(F)F)cc1 ZINC000831797127 603942769 /nfs/dbraw/zinc/94/27/69/603942769.db2.gz CERMRGPAXZXFRM-UHFFFAOYSA-N -1 0 348.305 3.581 20 0 EHADRM CC(C)(C(=O)Nc1cccc2c1CCN2C(=O)[O-])c1ccccc1F ZINC000823743405 603956524 /nfs/dbraw/zinc/95/65/24/603956524.db2.gz FEAADDQAIOCCGI-UHFFFAOYSA-N -1 0 342.370 3.783 20 0 EHADRM Cc1ccc2cccc(C(=O)Nc3cccc4c3CCN4C(=O)[O-])c2n1 ZINC000830453576 603957517 /nfs/dbraw/zinc/95/75/17/603957517.db2.gz KHDQREKUENLVKF-UHFFFAOYSA-N -1 0 347.374 3.836 20 0 EHADRM C[C@H]1CCN(C(=O)CCC(C)(C)NC(=O)[O-])[C@H]1c1cccc(F)c1 ZINC000825939368 603961543 /nfs/dbraw/zinc/96/15/43/603961543.db2.gz UKXPOBYBFKTFED-BLLLJJGKSA-N -1 0 336.407 3.562 20 0 EHADRM CC(=O)c1ccc(NC(=O)Nc2cccc3c2CCN3C(=O)[O-])cc1 ZINC000823632580 603966123 /nfs/dbraw/zinc/96/61/23/603966123.db2.gz LYIHDFPIGZDFLI-UHFFFAOYSA-N -1 0 339.351 3.574 20 0 EHADRM O=C([O-])N[C@H]1CC[C@@H](C(=O)N(Cc2cccc(F)c2)C2CCCC2)C1 ZINC000832239618 603975833 /nfs/dbraw/zinc/97/58/33/603975833.db2.gz MDWPYSHIKHCMHO-ZBFHGGJFSA-N -1 0 348.418 3.533 20 0 EHADRM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)cc1 ZINC000830281355 603989134 /nfs/dbraw/zinc/98/91/34/603989134.db2.gz FMZMGRXSQTUSFP-UBDQQSCGSA-N -1 0 344.455 3.731 20 0 EHADRM CCc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)o1 ZINC000827582896 603989188 /nfs/dbraw/zinc/98/91/88/603989188.db2.gz CJUIKEURZZHZCQ-YCPHGPKFSA-N -1 0 348.443 3.722 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NCc1occc1Br ZINC000832079973 604022797 /nfs/dbraw/zinc/02/27/97/604022797.db2.gz QCHBRRPGAPSYCL-UHFFFAOYSA-N -1 0 337.173 3.695 20 0 EHADRM CN(C(=O)N[C@H](c1ccccc1)C(C)(C)C)C1CCN(C(=O)[O-])CC1 ZINC000827786397 604026039 /nfs/dbraw/zinc/02/60/39/604026039.db2.gz PECUZLMJQSCQBS-MRXNPFEDSA-N -1 0 347.459 3.558 20 0 EHADRM CC(C)c1ccc(NC(=O)N(C)C2CCC(NC(=O)[O-])CC2)cc1 ZINC000824470859 604118577 /nfs/dbraw/zinc/11/85/77/604118577.db2.gz WKCWAYJXWOCEHN-UHFFFAOYSA-N -1 0 333.432 3.853 20 0 EHADRM CCC(CC)N(C(=O)Nc1ccc(OC)c(NC(=O)[O-])c1)C1CC1 ZINC000826572101 604125248 /nfs/dbraw/zinc/12/52/48/604125248.db2.gz RLOPXEMHEDKRSP-UHFFFAOYSA-N -1 0 335.404 3.970 20 0 EHADRM C[C@@H](c1ccccc1)N(C)C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736724058 604191924 /nfs/dbraw/zinc/19/19/24/604191924.db2.gz KAONOXPBQUSOBE-AWEZNQCLSA-N -1 0 341.411 3.722 20 0 EHADRM C[C@H](OC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1)c1ccccc1C(F)(F)F ZINC000825550801 604239486 /nfs/dbraw/zinc/23/94/86/604239486.db2.gz DBNIKPJLMCHSTI-GARJFASQSA-N -1 0 345.317 3.746 20 0 EHADRM COc1ccc(F)c(NC(=O)CC[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000829414225 604256993 /nfs/dbraw/zinc/25/69/93/604256993.db2.gz OBZJXYMGLBATLA-HNNXBMFYSA-N -1 0 346.358 3.562 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000832845275 604267132 /nfs/dbraw/zinc/26/71/32/604267132.db2.gz VITJJKIOJQXKHI-GFCCVEGCSA-N -1 0 336.391 3.974 20 0 EHADRM CC(C)CN(Cc1ccccc1)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000826881474 604280715 /nfs/dbraw/zinc/28/07/15/604280715.db2.gz VVUIPRCVCTZXJD-UHFFFAOYSA-N -1 0 329.371 3.822 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000832958991 604283846 /nfs/dbraw/zinc/28/38/46/604283846.db2.gz YKPXYNPEIQXNFN-GOSISDBHSA-N -1 0 336.391 3.683 20 0 EHADRM CCN(Cc1nc(-c2ccc3c(c2)C(C)(C)C(=O)N3)cs1)C(=O)[O-] ZINC000827194010 604284915 /nfs/dbraw/zinc/28/49/15/604284915.db2.gz ZEGWBPVRIFDCGU-UHFFFAOYSA-N -1 0 345.424 3.540 20 0 EHADRM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000826694089 604296005 /nfs/dbraw/zinc/29/60/05/604296005.db2.gz PWHJWMJTRZLFMH-KRWDZBQOSA-N -1 0 347.361 3.660 20 0 EHADRM C[C@H](CC(=O)Nc1ccc2[nH]ccc2c1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824696867 604298178 /nfs/dbraw/zinc/29/81/78/604298178.db2.gz WYCHRGFUNGKUGN-TZMCWYRMSA-N -1 0 329.400 3.523 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)Nc2ccc(F)cc2F)cc1 ZINC000825389019 604308629 /nfs/dbraw/zinc/30/86/29/604308629.db2.gz NLCFPCOGOIMFAH-SNVBAGLBSA-N -1 0 349.337 3.615 20 0 EHADRM O=C([O-])c1csc(NC(=O)CSc2nccc3ccccc32)c1 ZINC000833115558 604314994 /nfs/dbraw/zinc/31/49/94/604314994.db2.gz AESADJZPDHFSOG-UHFFFAOYSA-N -1 0 344.417 3.725 20 0 EHADRM C[C@H](CC(=O)N([C@H](C)c1ccco1)C1CC1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824558898 604316704 /nfs/dbraw/zinc/31/67/04/604316704.db2.gz YUZZRWAQLRXXKE-RBSFLKMASA-N -1 0 348.443 3.748 20 0 EHADRM CC[C@H](Cc1ccccc1)N(CC)C(=O)c1ccc(CNC(=O)[O-])o1 ZINC000826587369 604322508 /nfs/dbraw/zinc/32/25/08/604322508.db2.gz SXQQCNPQYPJHCX-OAHLLOKOSA-N -1 0 344.411 3.531 20 0 EHADRM Cc1cccc(C)c1CCNC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000832964475 604325803 /nfs/dbraw/zinc/32/58/03/604325803.db2.gz KPFYUTOBWVSNGW-UHFFFAOYSA-N -1 0 330.359 3.505 20 0 EHADRM Cc1cccc(C)c1CNC(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000832964522 604327338 /nfs/dbraw/zinc/32/73/38/604327338.db2.gz MYBLDCGHBHOQOM-UHFFFAOYSA-N -1 0 327.384 3.739 20 0 EHADRM C[C@H](CC(=O)Nc1cccc(C(F)F)c1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824695173 604327598 /nfs/dbraw/zinc/32/75/98/604327598.db2.gz JSDFJDGULRVLBE-DGCLKSJQSA-N -1 0 340.370 3.979 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)C[C@H](C)[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000828828793 604329861 /nfs/dbraw/zinc/32/98/61/604329861.db2.gz BZBMQAGXZVJKOT-LZWOXQAQSA-N -1 0 348.443 3.749 20 0 EHADRM COc1ccc(CNC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c(C)c1 ZINC000832336521 604334530 /nfs/dbraw/zinc/33/45/30/604334530.db2.gz WDMKIEGOENTFBE-UHFFFAOYSA-N -1 0 347.346 3.554 20 0 EHADRM O=C([O-])c1cc(C(=O)N2CCC[C@H]2CCC2CCCCC2)ccn1 ZINC000833296145 604343707 /nfs/dbraw/zinc/34/37/07/604343707.db2.gz UCSZSAWKQLGBQA-INIZCTEOSA-N -1 0 330.428 3.745 20 0 EHADRM Cc1nc2cc(NC(=O)N[C@H]3CCCCCC[C@H]3C(=O)[O-])ccc2o1 ZINC000833004006 604368764 /nfs/dbraw/zinc/36/87/64/604368764.db2.gz FYLNZFHJAXCSGS-KGLIPLIRSA-N -1 0 345.399 3.681 20 0 EHADRM C[C@H](C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])c1ccccc1F ZINC000825996305 604382517 /nfs/dbraw/zinc/38/25/17/604382517.db2.gz YKUDEXIKGNENTG-GUYCJALGSA-N -1 0 343.398 3.898 20 0 EHADRM CCc1oc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1C ZINC000830355388 604388628 /nfs/dbraw/zinc/38/86/28/604388628.db2.gz JDIHKGFZAIJZNV-INIZCTEOSA-N -1 0 329.396 3.732 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)CCc1ccsc1 ZINC000829026967 604429332 /nfs/dbraw/zinc/42/93/32/604429332.db2.gz LMGXTBRBEALEDK-INIZCTEOSA-N -1 0 331.437 3.745 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccc(F)c(F)c1 ZINC000829027636 604429433 /nfs/dbraw/zinc/42/94/33/604429433.db2.gz QHHIPNCMWMUTEQ-INIZCTEOSA-N -1 0 333.334 3.643 20 0 EHADRM CCCOc1cccc(CC(=O)O[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000829541298 604445597 /nfs/dbraw/zinc/44/55/97/604445597.db2.gz LAHRVTANMVTOFM-SFHVURJKSA-N -1 0 346.354 3.526 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)CCCc2cccs2)cc1 ZINC000825377721 604446580 /nfs/dbraw/zinc/44/65/80/604446580.db2.gz JJQZIPKNDZEPHQ-CYBMUJFWSA-N -1 0 346.452 3.716 20 0 EHADRM CC(C)Oc1cccc(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)n1 ZINC000833507163 604516647 /nfs/dbraw/zinc/51/66/47/604516647.db2.gz XAKYLAYQWASZTN-HNNXBMFYSA-N -1 0 349.770 3.505 20 0 EHADRM Cc1c(C(=O)Nc2cccc(C(=O)[O-])c2)cnn1-c1cc(C)ccc1C ZINC000237690839 604532746 /nfs/dbraw/zinc/53/27/46/604532746.db2.gz HAWRRNSSVTXJGE-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM C[C@H]1CCCCCN1C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000828251359 604536139 /nfs/dbraw/zinc/53/61/39/604536139.db2.gz HUFVIAYBZQASDQ-HOCLYGCPSA-N -1 0 332.444 3.813 20 0 EHADRM CC(C)[C@H](C(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccc(F)cc1 ZINC000833464629 604543509 /nfs/dbraw/zinc/54/35/09/604543509.db2.gz AONUOMSXUOUUMS-SFHVURJKSA-N -1 0 345.370 3.667 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2ccc(Br)o2)oc1C(=O)[O-] ZINC000832876155 604545139 /nfs/dbraw/zinc/54/51/39/604545139.db2.gz RRAKPSIHSJZDIA-SSDOTTSWSA-N -1 0 343.129 3.560 20 0 EHADRM COc1ccc(/C=C\C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC000832280522 604546558 /nfs/dbraw/zinc/54/65/58/604546558.db2.gz DANNKANQSKFSQP-OJIASSBASA-N -1 0 330.336 3.612 20 0 EHADRM CN(C(=O)Nc1cc(F)cc(Cl)c1)C1CCC(NC(=O)[O-])CC1 ZINC000827807003 604556344 /nfs/dbraw/zinc/55/63/44/604556344.db2.gz RILMJGGTSGMWJB-UHFFFAOYSA-N -1 0 343.786 3.522 20 0 EHADRM CC(C)[C@@H](C(=O)Nc1cccc(CC(=O)[O-])c1)c1ccc(F)cc1 ZINC000833466123 604569185 /nfs/dbraw/zinc/56/91/85/604569185.db2.gz STSLCMWHHIYACN-GOSISDBHSA-N -1 0 329.371 3.831 20 0 EHADRM C[C@H](C(=O)N1CCC[C@H]1CC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000262935975 604571780 /nfs/dbraw/zinc/57/17/80/604571780.db2.gz LRSRSGAITBZRRD-ONGXEEELSA-N -1 0 330.211 3.563 20 0 EHADRM Cc1cc([C@H](C)OC(=O)[C@H](C)Cc2cccc(F)c2)oc1C(=O)[O-] ZINC000832877910 604576013 /nfs/dbraw/zinc/57/60/13/604576013.db2.gz VHFKRUJONVUVBO-NEPJUHHUSA-N -1 0 334.343 3.908 20 0 EHADRM CC(C)Oc1cccc(CN(C)C(=O)c2ccc(NC(=O)[O-])cc2)c1 ZINC000833507369 604576354 /nfs/dbraw/zinc/57/63/54/604576354.db2.gz IXUSBYMLPTYMBM-UHFFFAOYSA-N -1 0 342.395 3.836 20 0 EHADRM CCS[C@@H](C(=O)Nc1cccc(SCCC(=O)[O-])c1)C(C)C ZINC000833666923 604577228 /nfs/dbraw/zinc/57/72/28/604577228.db2.gz BXNNHNWJHDGKBZ-OAHLLOKOSA-N -1 0 341.498 3.970 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)C1(c2cccc(Cl)c2)CCCC1 ZINC000262952843 604578566 /nfs/dbraw/zinc/57/85/66/604578566.db2.gz MYRUIRLQTGCWPW-HNNXBMFYSA-N -1 0 335.831 3.618 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2ccc3c(c2)CCCN3)oc1C(=O)[O-] ZINC000832876383 604579751 /nfs/dbraw/zinc/57/97/51/604579751.db2.gz TTZGOYMCKIHPCI-LLVKDONJSA-N -1 0 329.352 3.562 20 0 EHADRM COc1ccc([C@H](C)C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC000832216609 604583407 /nfs/dbraw/zinc/58/34/07/604583407.db2.gz CHORFXQYDMRFAZ-NWDGAFQWSA-N -1 0 332.352 3.703 20 0 EHADRM Cc1sc(NC(=O)N2CCc3cc(F)ccc3C2)c(C(=O)[O-])c1C ZINC000833758481 604586358 /nfs/dbraw/zinc/58/63/58/604586358.db2.gz ZJOGSBBDIWZMAI-UHFFFAOYSA-N -1 0 348.399 3.792 20 0 EHADRM CC1(C)CC[C@H](NC(=O)Nc2cccc(SCCC(=O)[O-])c2)C1 ZINC000833558004 604589100 /nfs/dbraw/zinc/58/91/00/604589100.db2.gz AVWJOKJBTUQUHI-ZDUSSCGKSA-N -1 0 336.457 3.954 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)[C@H](C)Cc2ccccc2F)oc1C(=O)[O-] ZINC000832878956 604590948 /nfs/dbraw/zinc/59/09/48/604590948.db2.gz ZNMYEWWTGBADDD-VXGBXAGGSA-N -1 0 334.343 3.908 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2ccn(C3CCCC3)n2)oc1C(=O)[O-] ZINC000832875742 604602447 /nfs/dbraw/zinc/60/24/47/604602447.db2.gz OSKHODPOKMUEIE-LLVKDONJSA-N -1 0 332.356 3.516 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)c1ccccc1Sc1ccccc1 ZINC000262814738 604604553 /nfs/dbraw/zinc/60/45/53/604604553.db2.gz AAFCODJBKOHKOB-AWEZNQCLSA-N -1 0 341.432 3.917 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)O[C@H](C)Cc1ccc(Cl)s1 ZINC000833484720 604614723 /nfs/dbraw/zinc/61/47/23/604614723.db2.gz REOGVACBHCBBJL-MWLCHTKSSA-N -1 0 333.837 3.558 20 0 EHADRM COc1ccc(C(C)(C)C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC000832216934 604616178 /nfs/dbraw/zinc/61/61/78/604616178.db2.gz XRCBNHISCLDPQG-GFCCVEGCSA-N -1 0 346.379 3.877 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)N(C2CC2)C2CCCC2)cc1 ZINC000825382628 604620028 /nfs/dbraw/zinc/62/00/28/604620028.db2.gz GEJCQFGWJBHQHJ-CYBMUJFWSA-N -1 0 345.443 3.632 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000832777331 604626407 /nfs/dbraw/zinc/62/64/07/604626407.db2.gz IHSSKLQDWPGENH-SNVBAGLBSA-N -1 0 328.821 3.533 20 0 EHADRM O=C([O-])c1cccc(CN2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)c1 ZINC000422590913 604653712 /nfs/dbraw/zinc/65/37/12/604653712.db2.gz NMZHJACCUNHEEQ-QGZVFWFLSA-N -1 0 348.406 3.507 20 0 EHADRM CC(C)C[C@@H](NC(=O)Cc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000347361557 604674861 /nfs/dbraw/zinc/67/48/61/604674861.db2.gz IEDQXANWHHQKII-GOSISDBHSA-N -1 0 325.408 3.831 20 0 EHADRM CC(C)c1ccc(CNC(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC000262238982 604680255 /nfs/dbraw/zinc/68/02/55/604680255.db2.gz UBLBBHCBCIHPBD-UHFFFAOYSA-N -1 0 325.408 3.757 20 0 EHADRM C/C(=C/c1cccc(Cl)c1)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000761678763 604695629 /nfs/dbraw/zinc/69/56/29/604695629.db2.gz IZEVWGHIVVXZLJ-WQLSENKSSA-N -1 0 345.782 3.845 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000826694083 604724810 /nfs/dbraw/zinc/72/48/10/604724810.db2.gz PPDYMIHGTAEYRB-OAHLLOKOSA-N -1 0 346.452 3.614 20 0 EHADRM CN(C(=O)c1sccc1SC(F)F)C1(C(=O)[O-])CCCC1 ZINC000830542475 604729187 /nfs/dbraw/zinc/72/91/87/604729187.db2.gz CPQXHTSMZULXOR-UHFFFAOYSA-N -1 0 335.397 3.532 20 0 EHADRM O=C([O-])CCc1csc(NC(=O)c2[nH]c3ccccc3c2Cl)n1 ZINC000833241139 604731761 /nfs/dbraw/zinc/73/17/61/604731761.db2.gz YJUSYAZNJHDSGD-UHFFFAOYSA-N -1 0 349.799 3.547 20 0 EHADRM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000262817318 604742733 /nfs/dbraw/zinc/74/27/33/604742733.db2.gz PQWZLXIXBBLLNK-STQMWFEESA-N -1 0 341.382 3.601 20 0 EHADRM C[C@H](CC(=O)[O-])SCCC(=O)Nc1ccccc1C(F)(F)F ZINC000827386261 604744355 /nfs/dbraw/zinc/74/43/55/604744355.db2.gz ROYKADQMBHQGBK-SECBINFHSA-N -1 0 335.347 3.630 20 0 EHADRM CC(C)C[C@@H](C)N(C)C(=O)CSCc1ccc(C(=O)[O-])cc1F ZINC000833474667 604754570 /nfs/dbraw/zinc/75/45/70/604754570.db2.gz STENQYSRFWFREG-GFCCVEGCSA-N -1 0 341.448 3.650 20 0 EHADRM C[C@H](SCc1ccc(C(=O)[O-])cc1F)C(=O)N1CCCCCC1 ZINC000833543292 604754623 /nfs/dbraw/zinc/75/46/23/604754623.db2.gz QHBGLFKKSBZNEB-LBPRGKRZSA-N -1 0 339.432 3.548 20 0 EHADRM Cc1cccc(-c2noc(CN3CC[C@H](C(=O)[O-])c4ccccc43)n2)c1 ZINC000575736994 604772779 /nfs/dbraw/zinc/77/27/79/604772779.db2.gz ZQUDEWFIBFDUML-INIZCTEOSA-N -1 0 349.390 3.624 20 0 EHADRM CC(C)c1ncc(-c2nc(COc3cccc(C(=O)[O-])c3)no2)s1 ZINC000827159118 604777283 /nfs/dbraw/zinc/77/72/83/604777283.db2.gz XGQIZZMXTLHCSY-UHFFFAOYSA-N -1 0 345.380 3.594 20 0 EHADRM O=C([O-])c1occc1CNc1cccc(-c2cn3c(n2)CCCC3)c1 ZINC000833785457 604778817 /nfs/dbraw/zinc/77/88/17/604778817.db2.gz WTIVMJWNTPPMRR-UHFFFAOYSA-N -1 0 337.379 3.790 20 0 EHADRM CCN(c1ccc(NC(=O)Cc2ccccc2C(=O)[O-])cc1)C(C)C ZINC000327944670 604780602 /nfs/dbraw/zinc/78/06/02/604780602.db2.gz JFAUEUYCWBFISQ-UHFFFAOYSA-N -1 0 340.423 3.801 20 0 EHADRM CCc1nc(C)c([C@H](C)OC(=O)CCc2ccccc2C(=O)[O-])s1 ZINC000833672588 604785340 /nfs/dbraw/zinc/78/53/40/604785340.db2.gz CKQYEHRERYFOAN-LBPRGKRZSA-N -1 0 347.436 3.949 20 0 EHADRM CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccc(NC(=O)[O-])cc2)C1 ZINC000833437229 604789054 /nfs/dbraw/zinc/78/90/54/604789054.db2.gz PEFKNBHRZQPLMA-AWEZNQCLSA-N -1 0 335.404 3.588 20 0 EHADRM C[C@@H]1CC/C(=C/C(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)C1 ZINC000828201297 604790421 /nfs/dbraw/zinc/79/04/21/604790421.db2.gz QSICEWLZTRWGOU-QAALXFNPSA-N -1 0 342.439 3.534 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccc(Cl)s1 ZINC000827694454 604809351 /nfs/dbraw/zinc/80/93/51/604809351.db2.gz GNDNAOHJOWNJDJ-SSDOTTSWSA-N -1 0 327.764 3.730 20 0 EHADRM C[C@H](CC(=O)N1CCc2ccc(C(=O)[O-])cc2C1)c1cccc(F)c1 ZINC000262129690 604812698 /nfs/dbraw/zinc/81/26/98/604812698.db2.gz HHSJXYALCQWXGI-CYBMUJFWSA-N -1 0 341.382 3.602 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(COCC3CC3)c2)cc1F ZINC000833158466 604816186 /nfs/dbraw/zinc/81/61/86/604816186.db2.gz JAHPEGHTKCJMBY-UHFFFAOYSA-N -1 0 343.354 3.703 20 0 EHADRM CC(C)(C)C1=CCN(C(=O)Cn2cc(C(=O)[O-])c3ccccc32)CC1 ZINC000833427356 604836236 /nfs/dbraw/zinc/83/62/36/604836236.db2.gz NSUYUVFFRQNMSL-UHFFFAOYSA-N -1 0 340.423 3.544 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)[C@H]1CCCc2sccc21 ZINC000325886384 604839200 /nfs/dbraw/zinc/83/92/00/604839200.db2.gz QCWUGLVDXLUATR-AWEZNQCLSA-N -1 0 341.432 3.846 20 0 EHADRM CC1(OCC(=O)O[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CCC1 ZINC000828115622 604841900 /nfs/dbraw/zinc/84/19/00/604841900.db2.gz DEHHPOAFTBWYDY-CYBMUJFWSA-N -1 0 347.194 3.622 20 0 EHADRM Cc1ccc(C(=O)N[C@H]2COc3ccc(Cl)cc32)cc1NC(=O)[O-] ZINC000830211247 604853419 /nfs/dbraw/zinc/85/34/19/604853419.db2.gz KURFSOGTJXHOSQ-AWEZNQCLSA-N -1 0 346.770 3.602 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)[C@@H]1CCCc2sccc21)c1ccccc1 ZINC000325875019 604861634 /nfs/dbraw/zinc/86/16/34/604861634.db2.gz MPHWIRQITIXMBP-HZPDHXFCSA-N -1 0 343.448 3.890 20 0 EHADRM O=C([O-])C[C@H](NC(=O)/C=C\c1ccccc1Cl)c1ccccc1 ZINC000320089310 604865731 /nfs/dbraw/zinc/86/57/31/604865731.db2.gz XDXPLSPFYZNGKM-SNGWPZLWSA-N -1 0 329.783 3.685 20 0 EHADRM COc1ccc2nc(N3CCC[C@@H](C(C)(C)C(=O)[O-])C3)ccc2c1 ZINC000649405770 604872668 /nfs/dbraw/zinc/87/26/68/604872668.db2.gz LYQLLEXEKXZVFI-CQSZACIVSA-N -1 0 328.412 3.571 20 0 EHADRM COc1ccc2nc(N3CCC[C@H](C(C)(C)C(=O)[O-])C3)ccc2c1 ZINC000649405769 604872753 /nfs/dbraw/zinc/87/27/53/604872753.db2.gz LYQLLEXEKXZVFI-AWEZNQCLSA-N -1 0 328.412 3.571 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(c2nc(C(F)F)nc3ccccc32)C1 ZINC000833419417 604874263 /nfs/dbraw/zinc/87/42/63/604874263.db2.gz JOENNIAFKNFCAD-NSHDSACASA-N -1 0 349.381 3.895 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)O[C@@H]1COc2ccccc21)C(=O)[O-] ZINC000833546060 604878539 /nfs/dbraw/zinc/87/85/39/604878539.db2.gz XWWVEZMQZYMYOZ-IAQYHMDHSA-N -1 0 344.388 3.542 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)N[C@H](CC(=O)[O-])c3ccccc3)cc2C1 ZINC000013224808 604880101 /nfs/dbraw/zinc/88/01/01/604880101.db2.gz DVWLRLASYOMOOW-IUODEOHRSA-N -1 0 343.448 3.819 20 0 EHADRM CC(C)[C@H](C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC000679105009 604886573 /nfs/dbraw/zinc/88/65/73/604886573.db2.gz GKFLVSPMEQTGHR-SJORKVTESA-N -1 0 331.456 3.776 20 0 EHADRM CC(C)[C@@H](C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC000679105006 604886781 /nfs/dbraw/zinc/88/67/81/604886781.db2.gz GKFLVSPMEQTGHR-DLBZAZTESA-N -1 0 331.456 3.776 20 0 EHADRM Cc1ccc([C@H](CNC(=O)CCc2cc(C)cc(C)c2)C(=O)[O-])cc1 ZINC000431541555 604893765 /nfs/dbraw/zinc/89/37/65/604893765.db2.gz ALHGRKSEPKPISY-IBGZPJMESA-N -1 0 339.435 3.529 20 0 EHADRM C/C(=C\C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccc(F)cc1 ZINC000777402194 604894668 /nfs/dbraw/zinc/89/46/68/604894668.db2.gz XWVUXHNIILJOBU-HFBDAHEESA-N -1 0 333.403 3.578 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)CCc2cc(Cl)cs2)C1 ZINC000679105634 604896437 /nfs/dbraw/zinc/89/64/37/604896437.db2.gz KVCJJQPZCZFJAD-NSHDSACASA-N -1 0 343.876 3.684 20 0 EHADRM CC(=O)c1ccc(Cl)c(NC(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000823632620 604896896 /nfs/dbraw/zinc/89/68/96/604896896.db2.gz NCZCOHFEIQOOAG-UHFFFAOYSA-N -1 0 332.743 3.885 20 0 EHADRM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000832855472 604899549 /nfs/dbraw/zinc/89/95/49/604899549.db2.gz BBFLEHGEFMVQNN-CYBMUJFWSA-N -1 0 341.411 3.797 20 0 EHADRM CC(C)C(NC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)C(C)C ZINC000826700159 604910174 /nfs/dbraw/zinc/91/01/74/604910174.db2.gz RQUIOXNNWBCJPS-UHFFFAOYSA-N -1 0 342.823 3.606 20 0 EHADRM C[C@H](CC(=O)N[C@H](C(=O)[O-])C(C)(C)C)Cc1ccc(Cl)cc1 ZINC000683307778 604912246 /nfs/dbraw/zinc/91/22/46/604912246.db2.gz LTJIJQZGFDXVLZ-XHDPSFHLSA-N -1 0 325.836 3.524 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000827682423 604919983 /nfs/dbraw/zinc/91/99/83/604919983.db2.gz XOALGIBKDDOOOI-LLVKDONJSA-N -1 0 348.786 3.686 20 0 EHADRM Cc1cccc(-c2cncc(C(=O)NCCCCCCC(=O)[O-])c2)c1 ZINC000262750864 604923605 /nfs/dbraw/zinc/92/36/05/604923605.db2.gz IPSJQHKTOSYNIY-UHFFFAOYSA-N -1 0 340.423 3.822 20 0 EHADRM CSc1ccc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)cc1 ZINC000237306710 604935175 /nfs/dbraw/zinc/93/51/75/604935175.db2.gz YFDPHUUQSRQTSR-UHFFFAOYSA-N -1 0 343.448 3.916 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)/C=C/c1cccs1 ZINC000180358254 604936757 /nfs/dbraw/zinc/93/67/57/604936757.db2.gz GBAMGENEHVRLGQ-ZHACJKMWSA-N -1 0 329.421 3.655 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2Cc2cccc(F)c2)cc1F ZINC000833309278 604941963 /nfs/dbraw/zinc/94/19/63/604941963.db2.gz CVVAPBWGQSERFV-HNNXBMFYSA-N -1 0 345.345 3.510 20 0 EHADRM COc1cc2ccccc2cc1C(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000833730309 604958823 /nfs/dbraw/zinc/95/88/23/604958823.db2.gz SBSGBJJEXNMWTJ-JXFKEZNVSA-N -1 0 341.407 3.612 20 0 EHADRM C[C@]1(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)CCCC[C@H]1C(=O)[O-] ZINC000263517603 604959048 /nfs/dbraw/zinc/95/90/48/604959048.db2.gz FNELDHXGCJVMTM-KSSFIOAISA-N -1 0 348.830 3.514 20 0 EHADRM CC(C)CCC[C@@H](C)NC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000391116848 604973166 /nfs/dbraw/zinc/97/31/66/604973166.db2.gz GJDWJMMLGCMMBF-CABCVRRESA-N -1 0 326.481 3.734 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000833211251 604973829 /nfs/dbraw/zinc/97/38/29/604973829.db2.gz WWOKMKIZJCYDPL-LLVKDONJSA-N -1 0 333.240 3.629 20 0 EHADRM CC(C)[C@@H](OC(=O)[C@H](C)NC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000833470327 604983877 /nfs/dbraw/zinc/98/38/77/604983877.db2.gz AGHCCQQCRWXAOU-JOYOIKCWSA-N -1 0 333.306 3.602 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)Nc2cc(C(F)F)ccc2Cl)C1 ZINC000263006140 604992820 /nfs/dbraw/zinc/99/28/20/604992820.db2.gz GWZAQIADULURMA-CQSZACIVSA-N -1 0 332.734 3.606 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)Nc2cc(C(F)F)ccc2Cl)o1 ZINC000833144456 604993979 /nfs/dbraw/zinc/99/39/79/604993979.db2.gz GBCRHEQHESLKEJ-UHFFFAOYSA-N -1 0 344.701 3.891 20 0 EHADRM CCc1nc(NC(=O)C[C@@H](C)c2ccc(OC)cc2)sc1C(=O)[O-] ZINC000833676704 604994529 /nfs/dbraw/zinc/99/45/29/604994529.db2.gz TULHHNPMCHPLGP-SNVBAGLBSA-N -1 0 348.424 3.545 20 0 EHADRM CCc1nc(NC(=O)[C@H]2C[C@H]2c2sccc2C)sc1C(=O)[O-] ZINC000833673943 604994973 /nfs/dbraw/zinc/99/49/73/604994973.db2.gz MEXJYYAAIXPCCT-BDAKNGLRSA-N -1 0 336.438 3.516 20 0 EHADRM Cc1cc(N[C@H](C(=O)[O-])c2cccnc2)ccc1OCC(F)(F)F ZINC000832897776 605002800 /nfs/dbraw/zinc/00/28/00/605002800.db2.gz XKXVPFOCOXKKSY-AWEZNQCLSA-N -1 0 340.301 3.569 20 0 EHADRM CCC[C@H](C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)C(C)C ZINC000833648598 605031042 /nfs/dbraw/zinc/03/10/42/605031042.db2.gz UPIBGRAKBHTJOP-LBPRGKRZSA-N -1 0 327.808 3.814 20 0 EHADRM Cc1ccc(-c2nc(COC(=O)CC(C)(C)CC(=O)[O-])co2)cc1 ZINC000833746453 605032423 /nfs/dbraw/zinc/03/24/23/605032423.db2.gz HLAXTJNUYJROHS-UHFFFAOYSA-N -1 0 331.368 3.584 20 0 EHADRM C[C@H](C(=O)OCc1ccc(F)cc1C(=O)[O-])c1c(F)cccc1F ZINC000833410676 605036292 /nfs/dbraw/zinc/03/62/92/605036292.db2.gz ZYYMZUYVOPEIRV-VIFPVBQESA-N -1 0 338.281 3.649 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000262266006 605044204 /nfs/dbraw/zinc/04/42/04/605044204.db2.gz YAGWQDMECVDCIW-ONEGZZNKSA-N -1 0 329.440 3.973 20 0 EHADRM Cc1ccccc1-c1nnc(SCc2ccccc2CC(=O)[O-])o1 ZINC000833753430 605057001 /nfs/dbraw/zinc/05/70/01/605057001.db2.gz VEYMZXLOVSBNAQ-UHFFFAOYSA-N -1 0 340.404 3.964 20 0 EHADRM CC(C)[C@@H]1C[C@H](CC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CCO1 ZINC000833472650 605063785 /nfs/dbraw/zinc/06/37/85/605063785.db2.gz VDWLFTSOCQSSLP-ABAIWWIYSA-N -1 0 339.819 3.818 20 0 EHADRM CC(C)[C@H]1C[C@@H](CC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CCO1 ZINC000833472658 605064131 /nfs/dbraw/zinc/06/41/31/605064131.db2.gz VDWLFTSOCQSSLP-XHDPSFHLSA-N -1 0 339.819 3.818 20 0 EHADRM CC1(C)CCC(=CC(=O)NCCc2ccc(NC(=O)[O-])cc2)CC1 ZINC000833557002 605066971 /nfs/dbraw/zinc/06/69/71/605066971.db2.gz CXXLSKBNBVNUNB-UHFFFAOYSA-N -1 0 330.428 3.962 20 0 EHADRM CC1(C)CC[C@H](C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)C1 ZINC000833556988 605084838 /nfs/dbraw/zinc/08/48/38/605084838.db2.gz CKLCNNPNXVNVTD-GXFFZTMASA-N -1 0 327.783 3.547 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)N(C)c2ncc(C(=O)[O-])s2)cc1 ZINC000833491900 605087098 /nfs/dbraw/zinc/08/70/98/605087098.db2.gz ACNQTWJODJTQPT-UHFFFAOYSA-N -1 0 346.452 3.635 20 0 EHADRM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)C1CCC(C(=O)[O-])CC1 ZINC000194434396 605089039 /nfs/dbraw/zinc/08/90/39/605089039.db2.gz RNLVOIZEBSSDIY-FHERZECASA-N -1 0 347.455 3.680 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)Nc2nc(CC(=O)[O-])cs2)c2ccccc21 ZINC000833602594 605092186 /nfs/dbraw/zinc/09/21/86/605092186.db2.gz FWDVSYJCFVPVQT-YGRLFVJLSA-N -1 0 345.424 3.530 20 0 EHADRM Cc1nc(C2CCCCC2)sc1C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000833755293 605092541 /nfs/dbraw/zinc/09/25/41/605092541.db2.gz IBTQHRLIQPKRGL-CYBMUJFWSA-N -1 0 336.457 3.579 20 0 EHADRM C[C@H]1CC[C@@]2(CCN(C(=O)Nc3ccc(F)c(NC(=O)[O-])c3)C2)C1 ZINC000833610191 605096164 /nfs/dbraw/zinc/09/61/64/605096164.db2.gz JPKMWNINUIWXCU-APPDUMDISA-N -1 0 335.379 3.960 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCC[C@H]1Cc1ccccc1Cl ZINC000190622761 605102856 /nfs/dbraw/zinc/10/28/56/605102856.db2.gz BOHCKLYYJHQJJA-AWEZNQCLSA-N -1 0 337.847 3.765 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2ccc(Oc3ccncc3)cc2)CC1 ZINC000194437946 605106333 /nfs/dbraw/zinc/10/63/33/605106333.db2.gz DOPNENIMNOZJJR-UHFFFAOYSA-N -1 0 340.379 3.703 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)N[C@H](CC2CCCC2)c2ccccc2)C1 ZINC000263284754 605124525 /nfs/dbraw/zinc/12/45/25/605124525.db2.gz UJVZOBXFWVVDKQ-YLJYHZDGSA-N -1 0 344.455 3.814 20 0 EHADRM CC1(C)CCc2ccccc2[C@H]1NC(=O)N1CCC(CC(=O)[O-])CC1 ZINC000833561208 605126749 /nfs/dbraw/zinc/12/67/49/605126749.db2.gz UTOGETLNKDDNQO-GOSISDBHSA-N -1 0 344.455 3.596 20 0 EHADRM CC(C)N(Cc1ccccn1)C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000833497805 605129440 /nfs/dbraw/zinc/12/94/40/605129440.db2.gz JWNRDZKCKZRQBT-UHFFFAOYSA-N -1 0 347.802 3.876 20 0 EHADRM CCc1nc(NC(=O)[C@@H](c2ccccc2)C2CC2)sc1C(=O)[O-] ZINC000833673010 605140440 /nfs/dbraw/zinc/14/04/40/605140440.db2.gz GDBKFNWFPXCSIL-ZDUSSCGKSA-N -1 0 330.409 3.536 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)/C=C\c1ccc2[nH]ccc2c1 ZINC000833681183 605141408 /nfs/dbraw/zinc/14/14/08/605141408.db2.gz WIOLTSNAQNGNFF-XQRVVYSFSA-N -1 0 339.347 3.778 20 0 EHADRM CCC(CC)n1nc(C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)cc1C ZINC000833641636 605141692 /nfs/dbraw/zinc/14/16/92/605141692.db2.gz KHORUJCYNPFWEJ-UHFFFAOYSA-N -1 0 344.415 3.919 20 0 EHADRM Cc1cc(Cl)ncc1NC(=O)[C@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000830049927 605146347 /nfs/dbraw/zinc/14/63/47/605146347.db2.gz DMSBGTAMIFXVMK-IAQYHMDHSA-N -1 0 347.802 3.627 20 0 EHADRM Cc1ccccc1-c1nnc(S[C@H](CC(C)(C)C)C(=O)[O-])n1C ZINC000833753095 605150943 /nfs/dbraw/zinc/15/09/43/605150943.db2.gz KHUZIXLFLNRSOR-CYBMUJFWSA-N -1 0 333.457 3.772 20 0 EHADRM CC(C)(C)C[C@H](Sc1nnc(Cc2ccccc2F)o1)C(=O)[O-] ZINC000833429040 605154293 /nfs/dbraw/zinc/15/42/93/605154293.db2.gz GAXQCJBNJLPNHN-LBPRGKRZSA-N -1 0 338.404 3.781 20 0 EHADRM Cc1nc(C2CCCCC2)sc1C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000833755480 605154312 /nfs/dbraw/zinc/15/43/12/605154312.db2.gz OYNPXEWATMABPJ-UHFFFAOYSA-N -1 0 347.440 3.788 20 0 EHADRM CC(C)(C)OC(=O)c1ccccc1NC(=O)c1cccc(C(=O)[O-])c1 ZINC000833444022 605154355 /nfs/dbraw/zinc/15/43/55/605154355.db2.gz IYXYPEXNSYTSSZ-UHFFFAOYSA-N -1 0 341.363 3.592 20 0 EHADRM CCOc1ccc(NC(=O)NC2(CC(=O)[O-])CCCCC2)cc1F ZINC000325616086 605167676 /nfs/dbraw/zinc/16/76/76/605167676.db2.gz CGUQBCHLRXRDSJ-UHFFFAOYSA-N -1 0 338.379 3.524 20 0 EHADRM CC(C)C[C@H](NC(=O)Nc1cncc(C(=O)[O-])c1)c1cccs1 ZINC000833479561 605169051 /nfs/dbraw/zinc/16/90/51/605169051.db2.gz CTXCDCBUWBNLMG-ZDUSSCGKSA-N -1 0 333.413 3.750 20 0 EHADRM CC(C)(C)O[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000833445838 605181225 /nfs/dbraw/zinc/18/12/25/605181225.db2.gz JACZPGMYEXJYSC-INIZCTEOSA-N -1 0 327.380 3.880 20 0 EHADRM CC(C)(C)SCCCC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000833447417 605184663 /nfs/dbraw/zinc/18/46/63/605184663.db2.gz QVBOOJFPHSCNTN-MJBXVCDLSA-N -1 0 327.490 3.543 20 0 EHADRM CC(C)Cc1ccc(CCCC(=O)N2CCC(CC(=O)[O-])CC2)cc1 ZINC000833495066 605190072 /nfs/dbraw/zinc/19/00/72/605190072.db2.gz UWCCCNMLSRUICB-UHFFFAOYSA-N -1 0 345.483 3.921 20 0 EHADRM C[C@@H]1CC/C(=C\C(=O)OCc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000833603899 605191088 /nfs/dbraw/zinc/19/10/88/605191088.db2.gz XCJVSSHJKWOEHA-AUWXEVLLSA-N -1 0 341.363 3.829 20 0 EHADRM CCN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC000833654705 605198380 /nfs/dbraw/zinc/19/83/80/605198380.db2.gz AUESTPUJWFECDR-UHFFFAOYSA-N -1 0 347.436 3.525 20 0 EHADRM CC(C)(NCc1coc(-c2ccc(C(=O)[O-])cc2)n1)c1nccs1 ZINC000833461245 605214720 /nfs/dbraw/zinc/21/47/20/605214720.db2.gz XJKLLIQCRQYLQE-UHFFFAOYSA-N -1 0 343.408 3.521 20 0 EHADRM C[C@@H](Nc1ccc(CN(C)C(=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC000833524096 605217883 /nfs/dbraw/zinc/21/78/83/605217883.db2.gz ADTGFHWFZLMDLP-GFCCVEGCSA-N -1 0 328.368 3.698 20 0 EHADRM COc1cccc2c1CC[C@H]2Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000833736011 605219781 /nfs/dbraw/zinc/21/97/81/605219781.db2.gz RWHAQZIEKHWGMH-QGZVFWFLSA-N -1 0 326.396 3.904 20 0 EHADRM CCO[C@@H]1C[C@H](Nc2ccc(CN(C)C(=O)[O-])cc2)C12CCCC2 ZINC000833659896 605219874 /nfs/dbraw/zinc/21/98/74/605219874.db2.gz JBIZNHXTCLOHKC-DLBZAZTESA-N -1 0 332.444 3.946 20 0 EHADRM CC[C@@H](C(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccc(OC)cc1 ZINC000192894050 605228881 /nfs/dbraw/zinc/22/88/81/605228881.db2.gz IRIFDBJFFHJNPP-CQSZACIVSA-N -1 0 331.343 3.665 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)c1cc(C(F)(F)F)ccc1F)C(=O)[O-] ZINC000833427173 605229783 /nfs/dbraw/zinc/22/97/83/605229783.db2.gz JSMSZOYUYCEHCI-NSHDSACASA-N -1 0 336.281 3.891 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)c1ccc(-c2ccccc2)[nH]c1=O)C(=O)[O-] ZINC000833429141 605233969 /nfs/dbraw/zinc/23/39/69/605233969.db2.gz IGTGWVUJIFXFSQ-HNNXBMFYSA-N -1 0 343.379 3.500 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)c1cccc(-c2cscn2)c1)C(=O)[O-] ZINC000833429092 605234082 /nfs/dbraw/zinc/23/40/82/605234082.db2.gz HDIUVNNSTVKWDP-CQSZACIVSA-N -1 0 333.409 3.856 20 0 EHADRM CC1=C(C(=O)[O-])C[C@H](CSCc2cccc(OC(F)F)c2)O1 ZINC000833579357 605236711 /nfs/dbraw/zinc/23/67/11/605236711.db2.gz BKDJLGZIWGUASE-GFCCVEGCSA-N -1 0 330.352 3.669 20 0 EHADRM CCCN(C(=O)Cc1ccccc1C(=O)[O-])[C@@H]1CCc2ccccc21 ZINC000833651522 605239602 /nfs/dbraw/zinc/23/96/02/605239602.db2.gz NXDZEQSOKQAFBM-LJQANCHMSA-N -1 0 337.419 3.853 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)CCCc1ccc2ccccc2c1)C(=O)[O-] ZINC000683306202 605249339 /nfs/dbraw/zinc/24/93/39/605249339.db2.gz ASTWMFJRGCAWPU-SFHVURJKSA-N -1 0 327.424 3.778 20 0 EHADRM C[C@H]1CCC[C@@H](OCCCCCC(=O)Nc2ccc(C(=O)[O-])nc2)C1 ZINC000833607845 605250562 /nfs/dbraw/zinc/25/05/62/605250562.db2.gz JFDLLFKXKXSEII-GOEBONIOSA-N -1 0 348.443 3.874 20 0 EHADRM CCOCc1cccc(NCc2cccc3c2N(C(=O)[O-])CC3)c1 ZINC000827408214 605252937 /nfs/dbraw/zinc/25/29/37/605252937.db2.gz FHNDAFTUZDQINN-UHFFFAOYSA-N -1 0 326.396 3.876 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NCCCc1cccc(C(F)(F)F)c1 ZINC000833453489 605256486 /nfs/dbraw/zinc/25/64/86/605256486.db2.gz TWSMUBPCOADMEM-UHFFFAOYSA-N -1 0 345.361 3.645 20 0 EHADRM Cc1cc(F)cc(NC(=O)N2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)c1 ZINC000830062284 605261298 /nfs/dbraw/zinc/26/12/98/605261298.db2.gz RMKZUFBWPFCQHM-CZUORRHYSA-N -1 0 349.406 3.520 20 0 EHADRM C[C@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833547655 605280561 /nfs/dbraw/zinc/28/05/61/605280561.db2.gz FBDZEDFEAQABKR-SNVBAGLBSA-N -1 0 347.346 3.846 20 0 EHADRM C[C@@H](Cc1noc(-c2ccc(SC(F)F)cc2)n1)N(C)C(=O)[O-] ZINC000825035741 605300216 /nfs/dbraw/zinc/30/02/16/605300216.db2.gz CJLNGETUVXITSZ-QMMMGPOBSA-N -1 0 343.355 3.592 20 0 EHADRM CC(=O)c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)cc1 ZINC000191476281 605303363 /nfs/dbraw/zinc/30/33/63/605303363.db2.gz UJWCDHBFTOGDIU-IBGZPJMESA-N -1 0 347.370 3.598 20 0 EHADRM O=C([O-])N[C@@H](CC(F)F)C(=O)Nc1ccccc1Nc1ccccc1 ZINC000834134984 605315136 /nfs/dbraw/zinc/31/51/36/605315136.db2.gz URXHYJPYJILZSJ-AWEZNQCLSA-N -1 0 349.337 3.660 20 0 EHADRM CCCOc1ccc(-c2nc3ccc(C(=O)[O-])cc3n2C)cc1OC ZINC000833651845 605321321 /nfs/dbraw/zinc/32/13/21/605321321.db2.gz DELDTNOFLWXQTC-UHFFFAOYSA-N -1 0 340.379 3.736 20 0 EHADRM O=C([O-])N(CC(=O)N1CCCC[C@H]1c1ccco1)c1ccccc1 ZINC000831821341 605346823 /nfs/dbraw/zinc/34/68/23/605346823.db2.gz RYQGNKHIJDTQBG-HNNXBMFYSA-N -1 0 328.368 3.518 20 0 EHADRM Cc1cc(NC(=O)c2cc3ccccc3cc2NC(=O)[O-])c[nH]c1=O ZINC000833900283 605364305 /nfs/dbraw/zinc/36/43/05/605364305.db2.gz BURJPVANPACLDB-UHFFFAOYSA-N -1 0 337.335 3.591 20 0 EHADRM C[C@]1(NC(=O)c2ccc(-c3ccccc3)o2)CCCC[C@@H]1C(=O)[O-] ZINC000833567436 605366737 /nfs/dbraw/zinc/36/67/37/605366737.db2.gz LWAWCFGJBVFVIG-KUHUBIRLSA-N -1 0 327.380 3.710 20 0 EHADRM O=C([O-])N(CC(=O)N1CC[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000831821155 605367360 /nfs/dbraw/zinc/36/73/60/605367360.db2.gz PNWBEEVZABDGOG-MRXNPFEDSA-N -1 0 344.798 3.798 20 0 EHADRM CC(C)Oc1c(F)cc(NC(=O)CC(C)(C)CC(=O)[O-])cc1F ZINC000342261141 605374857 /nfs/dbraw/zinc/37/48/57/605374857.db2.gz WCRSYTVSVVIWPU-UHFFFAOYSA-N -1 0 329.343 3.582 20 0 EHADRM CC(C)(C)CC(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000236589147 605377020 /nfs/dbraw/zinc/37/70/20/605377020.db2.gz MWBZEPLMTPIJER-GFCCVEGCSA-N -1 0 342.233 3.517 20 0 EHADRM CCC(CC)[C@@H]1C[C@H](NC(=O)Nc2cc(C(=O)[O-])cs2)CCO1 ZINC000833642023 605401115 /nfs/dbraw/zinc/40/11/15/605401115.db2.gz FDEWPUJOBNKEJM-OLZOCXBDSA-N -1 0 340.445 3.552 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000761662012 605416834 /nfs/dbraw/zinc/41/68/34/605416834.db2.gz GHIOJKQTYRXFLJ-UHFFFAOYSA-N -1 0 337.734 3.828 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)c1cc(F)cc2cccnc21 ZINC000834275631 605426251 /nfs/dbraw/zinc/42/62/51/605426251.db2.gz LUWBMQUAWOSQED-UHFFFAOYSA-N -1 0 325.299 3.716 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)C=Cc2ccc(Cl)nc2)c1 ZINC000834261440 605454320 /nfs/dbraw/zinc/45/43/20/605454320.db2.gz LLEAMJPJQCJCAO-KXFIGUGUSA-N -1 0 335.722 3.616 20 0 EHADRM Cc1cc(-c2nc(COc3ccc(F)cc3)no2)ccc1NC(=O)[O-] ZINC000829889139 605458296 /nfs/dbraw/zinc/45/82/96/605458296.db2.gz NLLLIKRPBGKMKX-UHFFFAOYSA-N -1 0 343.314 3.853 20 0 EHADRM C[C@H]1C[C@@H](C(=O)N(C)c2ccc(OCC(=O)[O-])cc2)CC(C)(C)C1 ZINC000262997941 605459188 /nfs/dbraw/zinc/45/91/88/605459188.db2.gz KOBAZSDMYQOCSW-UONOGXRCSA-N -1 0 333.428 3.575 20 0 EHADRM CC(C)OCCCC(=O)O[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000833503757 605485621 /nfs/dbraw/zinc/48/56/21/605485621.db2.gz PHVQVSUCDLXMPP-AWEZNQCLSA-N -1 0 349.210 3.868 20 0 EHADRM CC(C)c1ccc([C@H](C)NC(=O)N2CC[C@@H](NC(=O)[O-])C[C@@H]2C)cc1 ZINC000824463181 605496400 /nfs/dbraw/zinc/49/64/00/605496400.db2.gz CTTZWQZLDYIABX-GRDNDAEWSA-N -1 0 347.459 3.701 20 0 EHADRM CC(C)(C)c1ncc(/C=C\C(=O)OCc2ccccc2C(=O)[O-])s1 ZINC000833451426 605513542 /nfs/dbraw/zinc/51/35/42/605513542.db2.gz UQCHAKWWQMTNRU-HJWRWDBZSA-N -1 0 345.420 3.895 20 0 EHADRM CCCN(C(=O)Nc1cc(C)ccc1C)C1CCN(C(=O)[O-])CC1 ZINC000826875458 605539327 /nfs/dbraw/zinc/53/93/27/605539327.db2.gz GUGKJYBYARPJDG-UHFFFAOYSA-N -1 0 333.432 3.690 20 0 EHADRM O=C([O-])Nc1cccc(CSc2nncn2-c2ccccc2F)c1 ZINC000834269621 605575499 /nfs/dbraw/zinc/57/54/99/605575499.db2.gz JRVNDEXYBGZEBP-UHFFFAOYSA-N -1 0 344.371 3.789 20 0 EHADRM COc1ccccc1[C@H](C)NC(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000829592612 605575796 /nfs/dbraw/zinc/57/57/96/605575796.db2.gz SMSUVVBTLGQNLA-LBPRGKRZSA-N -1 0 328.368 3.585 20 0 EHADRM CCn1c2ccccc2nc1NC(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000827693892 605583098 /nfs/dbraw/zinc/58/30/98/605583098.db2.gz LKQKYOMVGFYCLU-UHFFFAOYSA-N -1 0 338.367 3.707 20 0 EHADRM Cc1cc(C(=O)N2CCc3sccc3[C@@H]2C)ccc1NC(=O)[O-] ZINC000829933993 605588456 /nfs/dbraw/zinc/58/84/56/605588456.db2.gz DBHWNTQRCFTHJA-NSHDSACASA-N -1 0 330.409 3.906 20 0 EHADRM O=C([O-])Nc1ccc2c(c1)CC[C@H]2NCc1csc(C2CC2)n1 ZINC000834262478 605614284 /nfs/dbraw/zinc/61/42/84/605614284.db2.gz LPWQKBDGUSYCJO-OAHLLOKOSA-N -1 0 329.425 3.888 20 0 EHADRM Cc1cc(C(=O)NC2(c3ccc(F)cc3)CC2)ccc1NC(=O)[O-] ZINC000829940395 605678846 /nfs/dbraw/zinc/67/88/46/605678846.db2.gz MINIDOHOQQSOML-UHFFFAOYSA-N -1 0 328.343 3.643 20 0 EHADRM CC(C)Oc1ccc(NC(=O)CN(C(=O)[O-])c2ccccc2)c(F)c1 ZINC000824418124 605678886 /nfs/dbraw/zinc/67/88/86/605678886.db2.gz IKFUDSXOLHQBOW-UHFFFAOYSA-N -1 0 346.358 3.736 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)Nc1ccc(-c2csnn2)cc1 ZINC000740046897 605687678 /nfs/dbraw/zinc/68/76/78/605687678.db2.gz ZVNBSBBHXOPAMM-UHFFFAOYSA-N -1 0 340.364 3.547 20 0 EHADRM Cc1cc(C(=O)N[C@H](C(C)(C)C)C(F)(F)F)ccc1NC(=O)[O-] ZINC000829934148 605701748 /nfs/dbraw/zinc/70/17/48/605701748.db2.gz GMXNOPBZJUVZBC-GFCCVEGCSA-N -1 0 332.322 3.792 20 0 EHADRM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000833606311 605709457 /nfs/dbraw/zinc/70/94/57/605709457.db2.gz OMGXXJNQEVCNPT-PWSUYJOCSA-N -1 0 344.333 3.508 20 0 EHADRM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000833606221 605713543 /nfs/dbraw/zinc/71/35/43/605713543.db2.gz OEXZGDNTVDZBNE-IONNQARKSA-N -1 0 336.335 3.641 20 0 EHADRM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccccc1C(=O)[O-] ZINC000820228897 605714166 /nfs/dbraw/zinc/71/41/66/605714166.db2.gz WYYZDEFPVFDPDT-NXEZZACHSA-N -1 0 330.306 3.580 20 0 EHADRM Cc1cc(C(=O)N[C@@H]2COc3ccc(Cl)cc32)ccc1NC(=O)[O-] ZINC000829945062 605714389 /nfs/dbraw/zinc/71/43/89/605714389.db2.gz HEVJMTWFSNQMDJ-CQSZACIVSA-N -1 0 346.770 3.602 20 0 EHADRM O=C([O-])N1CCCCC[C@H]1c1noc(C(F)(F)c2ccccc2)n1 ZINC000834107576 605723229 /nfs/dbraw/zinc/72/32/29/605723229.db2.gz IPSPZQUIZWBPLO-LBPRGKRZSA-N -1 0 337.326 3.805 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)Nc2cccc(OC(F)F)c2)c1 ZINC000834265909 605759523 /nfs/dbraw/zinc/75/95/23/605759523.db2.gz GFEVLGONXJCSBS-UHFFFAOYSA-N -1 0 336.294 3.559 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N(CCC(F)(F)F)CC2CC2)c1 ZINC000834265511 605772651 /nfs/dbraw/zinc/77/26/51/605772651.db2.gz XPHINNVUPLDIPV-UHFFFAOYSA-N -1 0 344.333 3.510 20 0 EHADRM O=C([O-])Nc1cccc(CN2CCO[C@@H](c3ccc(F)c(F)c3)C2)c1 ZINC000834268237 605787681 /nfs/dbraw/zinc/78/76/81/605787681.db2.gz HGQMKMBEPAQHDB-QGZVFWFLSA-N -1 0 348.349 3.628 20 0 EHADRM C[C@@H](C(=O)N1CCCCC[C@H]1C(=O)[O-])c1ccccc1C(F)(F)F ZINC000833404667 605792233 /nfs/dbraw/zinc/79/22/33/605792233.db2.gz SYXZSCLIJZKLBO-RISCZKNCSA-N -1 0 343.345 3.665 20 0 EHADRM C[C@H](C(=O)N1CCCCC[C@H]1C(=O)[O-])c1ccccc1C(F)(F)F ZINC000833404665 605792653 /nfs/dbraw/zinc/79/26/53/605792653.db2.gz SYXZSCLIJZKLBO-FZMZJTMJSA-N -1 0 343.345 3.665 20 0 EHADRM C[C@@H](C(=O)N1CCCCC[C@@H]1C(=O)[O-])c1ccccc1C(F)(F)F ZINC000833404663 605792726 /nfs/dbraw/zinc/79/27/26/605792726.db2.gz SYXZSCLIJZKLBO-BXUZGUMPSA-N -1 0 343.345 3.665 20 0 EHADRM C[C@H](OC(=O)Cc1cccc(C(=O)[O-])c1)c1nc(C2CC2)cs1 ZINC000833530432 605795992 /nfs/dbraw/zinc/79/59/92/605795992.db2.gz HYAUCQVAMAGMRQ-JTQLQIEISA-N -1 0 331.393 3.566 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)[C@@H]2CCc3c2cccc3Cl)c(F)c1 ZINC000833776380 605804907 /nfs/dbraw/zinc/80/49/07/605804907.db2.gz IBVZIAKDAWSFPG-CYBMUJFWSA-N -1 0 348.757 3.742 20 0 EHADRM O=C([O-])c1ccc(F)c(COC(=O)c2cc(Cl)ccc2F)c1 ZINC000833781299 605810040 /nfs/dbraw/zinc/81/00/40/605810040.db2.gz ZCISVQXBPMUQOK-UHFFFAOYSA-N -1 0 326.682 3.673 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)Nc2cc(Cl)c(Cl)cn2)c1 ZINC000834266934 605813579 /nfs/dbraw/zinc/81/35/79/605813579.db2.gz XDIYQKHKAMRWCH-UHFFFAOYSA-N -1 0 340.166 3.660 20 0 EHADRM O=C([O-])Nc1ccc(CNc2ccccc2N2CCCCC2)cn1 ZINC000834260183 605814820 /nfs/dbraw/zinc/81/48/20/605814820.db2.gz MZINOLDEYDWVGE-UHFFFAOYSA-N -1 0 326.400 3.774 20 0 EHADRM O=C([O-])NCCCCC(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000834235626 605898193 /nfs/dbraw/zinc/89/81/93/605898193.db2.gz KNZMMXSCKWILBD-LBPRGKRZSA-N -1 0 345.226 3.535 20 0 EHADRM COc1ccc(NC(=O)N2CC[C@]3(CC[C@H](C)C3)C2)cc1NC(=O)[O-] ZINC000833888801 605911377 /nfs/dbraw/zinc/91/13/77/605911377.db2.gz HLIGELXYNAPBAE-SGTLLEGYSA-N -1 0 347.415 3.829 20 0 EHADRM O=C([O-])NCCCCC(=O)N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000834235814 605925802 /nfs/dbraw/zinc/92/58/02/605925802.db2.gz YTJPAZLIZIELMR-JKGDOXCYSA-N -1 0 344.455 3.909 20 0 EHADRM O=C([O-])N1CCC2(C[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000834054251 605950413 /nfs/dbraw/zinc/95/04/13/605950413.db2.gz RHRVALLVGCUMRT-JTQLQIEISA-N -1 0 343.210 3.712 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)Nc2cccc3ccc(O)cc32)c1 ZINC000834265719 605982078 /nfs/dbraw/zinc/98/20/78/605982078.db2.gz ARTXCVRKKIFBGL-UHFFFAOYSA-N -1 0 336.347 3.817 20 0 EHADRM O=C([O-])N1CCC(CCC(=O)N2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000834077072 606005150 /nfs/dbraw/zinc/00/51/50/606005150.db2.gz VEVZWNVKNMMTNW-KRWDZBQOSA-N -1 0 348.418 3.659 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000834274790 606045334 /nfs/dbraw/zinc/04/53/34/606045334.db2.gz XDDMEWXEPKZBJF-UHFFFAOYSA-N -1 0 339.395 3.558 20 0 EHADRM O=C([O-])Nc1ccccc1Cc1nc(Cc2ccccc2Cl)no1 ZINC000834275440 606045580 /nfs/dbraw/zinc/04/55/80/606045580.db2.gz HOASMUOMWZTPEI-UHFFFAOYSA-N -1 0 343.770 3.995 20 0 EHADRM O=C([O-])Nc1ccc(Cc2nc(-c3nc(C4CC4)no3)cs2)cc1 ZINC000834260007 606075752 /nfs/dbraw/zinc/07/57/52/606075752.db2.gz KHVHVMMPFHVGHU-UHFFFAOYSA-N -1 0 342.380 3.751 20 0 EHADRM CC(C)CSCCNC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000833795747 606087519 /nfs/dbraw/zinc/08/75/19/606087519.db2.gz UZVKKVFQSXACTE-GFCCVEGCSA-N -1 0 339.461 3.526 20 0 EHADRM Fc1ccc(Oc2snc(Cl)c2-c2nnn[n-]2)cc1Cl ZINC000826375897 608168834 /nfs/dbraw/zinc/16/88/34/608168834.db2.gz GKDDOFRTYGMSDC-UHFFFAOYSA-N -1 0 332.147 3.561 20 0 EHADRM C[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000192904362 939039089 /nfs/dbraw/zinc/03/90/89/939039089.db2.gz XUNYBNTYVIICBH-ZUZCIYMTSA-N -1 0 335.762 3.525 20 0 EHADRM CC[C@H](C)[C@H](C)NC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000684737469 939039088 /nfs/dbraw/zinc/03/90/88/939039088.db2.gz WORFYQYCDLYGCI-GDZNZVCISA-N -1 0 328.412 3.699 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000236800370 939044208 /nfs/dbraw/zinc/04/42/08/939044208.db2.gz GXTMCADQVLIFEQ-KBXCAEBGSA-N -1 0 341.407 3.519 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl)c1ccccc1 ZINC000238025326 939055240 /nfs/dbraw/zinc/05/52/40/939055240.db2.gz UXPSNGODODBESG-BFQNTYOBSA-N -1 0 347.773 3.525 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)c1ccccc1 ZINC000238033560 939055740 /nfs/dbraw/zinc/05/57/40/939055740.db2.gz PCHJHJZESDYJAT-QGZVFWFLSA-N -1 0 339.322 3.641 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc(SC(F)F)cc1)c1ccccc1 ZINC000238029849 939055830 /nfs/dbraw/zinc/05/58/30/939055830.db2.gz NHBVGEGESBXLNS-CYBMUJFWSA-N -1 0 337.347 3.557 20 0 EHADRM O=C([O-])C1(NC(=O)c2cc(F)c(F)cc2Cl)CCCCCC1 ZINC000238092815 939057191 /nfs/dbraw/zinc/05/71/91/939057191.db2.gz XMSYZLZSVAXDNN-UHFFFAOYSA-N -1 0 331.746 3.526 20 0 EHADRM C/C(=C\c1ccccc1Cl)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000761592337 939067864 /nfs/dbraw/zinc/06/78/64/939067864.db2.gz DSRFQZXGWPALBX-JXOMPUQVSA-N -1 0 343.810 3.860 20 0 EHADRM Cc1ccc([C@@H](NC(=O)[C@@H](C)c2c(F)cccc2F)C(=O)[O-])cc1C ZINC000263521192 939113912 /nfs/dbraw/zinc/11/39/12/939113912.db2.gz HIQSAUSVVYXVHB-YVEFUNNKSA-N -1 0 347.361 3.627 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000263535379 939115053 /nfs/dbraw/zinc/11/50/53/939115053.db2.gz OIUWYEWQHGWSML-OAHLLOKOSA-N -1 0 335.787 3.921 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2ccccc2C(F)(F)F)CCCCC1 ZINC000319977079 939122833 /nfs/dbraw/zinc/12/28/33/939122833.db2.gz DAXCDQQGFCUODX-UHFFFAOYSA-N -1 0 330.306 3.614 20 0 EHADRM CC(C)(CNC(=O)NC1(C(=O)[O-])CCCCCC1)c1cccs1 ZINC000321488574 939124038 /nfs/dbraw/zinc/12/40/38/939124038.db2.gz WVIDPSBKZUAKOV-UHFFFAOYSA-N -1 0 338.473 3.503 20 0 EHADRM CC(C)c1ccc(NC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000324437803 939125651 /nfs/dbraw/zinc/12/56/51/939125651.db2.gz RSNOMVXTVDFRMV-LJQANCHMSA-N -1 0 326.396 3.932 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc2c(c1)CCC2)c1ccc(Cl)c(F)c1 ZINC000345787112 939128431 /nfs/dbraw/zinc/12/84/31/939128431.db2.gz FLPPXZWVUWGNMV-INIZCTEOSA-N -1 0 347.773 3.524 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2ccc(C(F)(F)F)cc2)CCCCC1 ZINC000390706761 939135960 /nfs/dbraw/zinc/13/59/60/939135960.db2.gz HJRDTMHEWBVSRJ-UHFFFAOYSA-N -1 0 330.306 3.614 20 0 EHADRM CCC1CCC(NC(=O)CCc2ccc3[nH]ccc3c2)(C(=O)[O-])CC1 ZINC000431778921 939155277 /nfs/dbraw/zinc/15/52/77/939155277.db2.gz ORGMZSVKWRXASV-UHFFFAOYSA-N -1 0 342.439 3.640 20 0 EHADRM CC[C@@](NC(=O)/C=C\c1ccsc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000795543335 939157874 /nfs/dbraw/zinc/15/78/74/939157874.db2.gz FHNXLUPZKMXKEN-VCKUIECUSA-N -1 0 349.839 3.921 20 0 EHADRM Cc1cccc(C)c1CC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000439918978 939203594 /nfs/dbraw/zinc/20/35/94/939203594.db2.gz LBOREMTVMQORBY-KRWDZBQOSA-N -1 0 349.789 3.581 20 0 EHADRM CC[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1cccs1)c1ccc(OC)cc1 ZINC000448994726 939206280 /nfs/dbraw/zinc/20/62/80/939206280.db2.gz PEHSUQZJKIHEDA-YVEFUNNKSA-N -1 0 347.436 3.583 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC000448998540 939206871 /nfs/dbraw/zinc/20/68/71/939206871.db2.gz WEXSCAMWCFNYSH-YVEFUNNKSA-N -1 0 347.436 3.583 20 0 EHADRM C[C@H](CCC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F)c1ccccc1 ZINC000828080880 939220014 /nfs/dbraw/zinc/22/00/14/939220014.db2.gz JJVSCIGJBFHDPU-XIKOKIGWSA-N -1 0 347.361 3.791 20 0 EHADRM C[C@H](CCC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F)c1ccccc1 ZINC000828080876 939220071 /nfs/dbraw/zinc/22/00/71/939220071.db2.gz JJVSCIGJBFHDPU-KZULUSFZSA-N -1 0 347.361 3.791 20 0 EHADRM CC[C@@](NC(=O)Cc1cccc2ccccc21)(C(=O)[O-])c1ccccc1 ZINC000485371443 939227747 /nfs/dbraw/zinc/22/77/47/939227747.db2.gz JCEXQLBYXMFPOQ-QFIPXVFZSA-N -1 0 347.414 3.889 20 0 EHADRM C[C@H](NC(=O)NC1(C(=O)[O-])CCCC1)c1cc2ccccc2s1 ZINC000516886247 939245986 /nfs/dbraw/zinc/24/59/86/939245986.db2.gz DCJBZLYEWNSQMV-NSHDSACASA-N -1 0 332.425 3.659 20 0 EHADRM Cc1cc2c(CC(=O)NC3(C(=O)[O-])CCCCC3)csc2s1 ZINC000864098794 939246109 /nfs/dbraw/zinc/24/61/09/939246109.db2.gz UKAKDBMDHLXDIZ-UHFFFAOYSA-N -1 0 337.466 3.717 20 0 EHADRM CSc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)c1 ZINC000520708762 939255160 /nfs/dbraw/zinc/25/51/60/939255160.db2.gz PBLOOVUEKTZBTF-MRXNPFEDSA-N -1 0 344.436 3.973 20 0 EHADRM CC[C@H](C)c1cccc(NC(=O)N[C@H](C(=O)[O-])c2cccnc2)c1 ZINC000864582916 939259052 /nfs/dbraw/zinc/25/90/52/939259052.db2.gz IMXLSTZJHOBKCN-LRDDRELGSA-N -1 0 327.384 3.543 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@@H]1CCCC12CC2)c1cccc(C(F)(F)F)c1 ZINC000872745279 939263615 /nfs/dbraw/zinc/26/36/15/939263615.db2.gz JNVIGFJFYAGFOG-QWHCGFSZSA-N -1 0 341.329 3.528 20 0 EHADRM C[C@](NC(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1)(C(=O)[O-])C1CC1 ZINC000887382963 939266620 /nfs/dbraw/zinc/26/66/20/939266620.db2.gz XSLVOSIAMCMYIY-BXUZGUMPSA-N -1 0 348.296 3.634 20 0 EHADRM CC(C)Oc1ccc(NC(=O)NC2(C(=O)[O-])CCCC2)c(Cl)c1 ZINC000900342583 939277804 /nfs/dbraw/zinc/27/78/04/939277804.db2.gz QUYLEIIWNHMOGQ-UHFFFAOYSA-N -1 0 340.807 3.646 20 0 EHADRM CC(C)[C@H](CC(=O)N[C@H](C(=O)[O-])c1ccsc1)c1ccccc1 ZINC000566506826 939354662 /nfs/dbraw/zinc/35/46/62/939354662.db2.gz HVFPOWPVXDPYQO-RDJZCZTQSA-N -1 0 331.437 3.820 20 0 EHADRM CC[C@](NC(=O)c1cscc1C(F)F)(C(=O)[O-])c1ccccc1 ZINC000908941033 939359555 /nfs/dbraw/zinc/35/95/55/939359555.db2.gz PLEMHGOYERQIPP-MRXNPFEDSA-N -1 0 339.363 3.806 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N[C@H](C(=O)[O-])c1ccsc1 ZINC000571463764 939391475 /nfs/dbraw/zinc/39/14/75/939391475.db2.gz HNXYIKCWINXMGK-CJNGLKHVSA-N -1 0 331.437 3.649 20 0 EHADRM Cc1cccc(OCCCCC(=O)N[C@H](C(=O)[O-])c2ccsc2)c1 ZINC000572380061 939398572 /nfs/dbraw/zinc/39/85/72/939398572.db2.gz YBWZEACZVYORBK-KRWDZBQOSA-N -1 0 347.436 3.548 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1cccc(COC2CCCCC2)c1)C1CC1 ZINC000573880469 939721918 /nfs/dbraw/zinc/72/19/18/939721918.db2.gz RASNZJLQLLBSHV-KRWDZBQOSA-N -1 0 346.427 3.521 20 0 EHADRM COc1c(Cl)cc(NC(=O)NC2(C(=O)[O-])CCCC2)cc1Cl ZINC000573904009 939722392 /nfs/dbraw/zinc/72/23/92/939722392.db2.gz XADFFMMEKOVYFC-UHFFFAOYSA-N -1 0 347.198 3.521 20 0 EHADRM C[C@@H](NC(=O)NC1(C(=O)[O-])CCCC1)c1cccc(Cl)c1Cl ZINC000574068129 939724039 /nfs/dbraw/zinc/72/40/39/939724039.db2.gz GQKYNZSOBLHHQD-SECBINFHSA-N -1 0 345.226 3.751 20 0 EHADRM CC[C@](NC(=O)Nc1ccc(Cl)cc1)(C(=O)[O-])c1ccccc1 ZINC000574437367 939726575 /nfs/dbraw/zinc/72/65/75/939726575.db2.gz FFHAINALBLHZDR-QGZVFWFLSA-N -1 0 332.787 3.852 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC000576214557 939737719 /nfs/dbraw/zinc/73/77/19/939737719.db2.gz PXECSMVCUQCHOL-CQSZACIVSA-N -1 0 336.750 3.735 20 0 EHADRM Cc1cc(NC(=O)N[C@H](C(=O)[O-])c2cccs2)ccc1OC(C)C ZINC000576421282 939739062 /nfs/dbraw/zinc/73/90/62/939739062.db2.gz FBALUQAJAGUWDJ-HNNXBMFYSA-N -1 0 348.424 3.791 20 0 EHADRM O=C([O-])[C@@H](NC(=O)N[C@@H]1CC=CCC1)c1ccc(Cl)cc1Cl ZINC000576574148 939740083 /nfs/dbraw/zinc/74/00/83/939740083.db2.gz SOOGCEVWUABZTQ-MFKMUULPSA-N -1 0 343.210 3.527 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2cccc(COC3CCCCC3)c2)CCC1 ZINC000576928381 939742824 /nfs/dbraw/zinc/74/28/24/939742824.db2.gz FZTSFDMFSRMIHI-UHFFFAOYSA-N -1 0 346.427 3.665 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)c1cccs1 ZINC000630174587 939814068 /nfs/dbraw/zinc/81/40/68/939814068.db2.gz KVQOTMCTBVSKRJ-IIAWOOMASA-N -1 0 329.421 3.574 20 0 EHADRM C[C@@](NC(=O)CC1CC(c2ccccc2)C1)(C(=O)[O-])c1ccccc1 ZINC000648332771 939832048 /nfs/dbraw/zinc/83/20/48/939832048.db2.gz XUBUSUZFFCJNKP-GRXDXKALSA-N -1 0 337.419 3.687 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1ccc2nc(C3CC3)oc2c1)C1CCCC1 ZINC000656851938 939847279 /nfs/dbraw/zinc/84/72/79/939847279.db2.gz IXZOXDSZNFGWDC-HNNXBMFYSA-N -1 0 328.368 3.535 20 0 EHADRM CSc1ccc(CCCC(=O)N[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC000659161974 939848457 /nfs/dbraw/zinc/84/84/57/939848457.db2.gz OEOSZMSURRRPKH-INIZCTEOSA-N -1 0 349.477 3.735 20 0 EHADRM Cc1csc(-c2ccc(NC(=O)[C@@H](C(=O)[O-])C3CCCC3)cc2)n1 ZINC000663034694 939850667 /nfs/dbraw/zinc/85/06/67/939850667.db2.gz SROYOOQOMHTDAO-HNNXBMFYSA-N -1 0 344.436 3.948 20 0 EHADRM O=C([O-])[C@H](NC(=O)NC1CCC(C2CCC2)CC1)c1cccs1 ZINC000663270371 939859649 /nfs/dbraw/zinc/85/96/49/939859649.db2.gz YJQZCEOTNQDPSM-SSDMNJCBSA-N -1 0 336.457 3.532 20 0 EHADRM CC(C)Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000678984477 939868692 /nfs/dbraw/zinc/86/86/92/939868692.db2.gz AKZBIYYRFWOEQZ-KRWDZBQOSA-N -1 0 329.371 3.580 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000683307195 939870260 /nfs/dbraw/zinc/87/02/60/939870260.db2.gz IMOKHRZUESSRRP-DJJJIMSYSA-N -1 0 345.826 3.635 20 0 EHADRM CC(C)(C)c1csc(COc2ccc(C(=O)[O-])cc2[N+](=O)[O-])n1 ZINC000321432374 970771931 /nfs/dbraw/zinc/77/19/31/970771931.db2.gz MXBADONYSPALAI-UHFFFAOYSA-N -1 0 336.369 3.626 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1cc(F)c(Cl)cc1F ZINC000322065090 970843464 /nfs/dbraw/zinc/84/34/64/970843464.db2.gz CIPASXKYBGDJMK-UHFFFAOYSA-N -1 0 337.709 3.519 20 0 EHADRM C[C@@H](NC(=O)CC1(CC(=O)[O-])CCCC1)c1ccc(F)cc1F ZINC000322086071 970845941 /nfs/dbraw/zinc/84/59/41/970845941.db2.gz IPOZJWSUFCXAEQ-LLVKDONJSA-N -1 0 325.355 3.567 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC000322351894 970874892 /nfs/dbraw/zinc/87/48/92/970874892.db2.gz FQAZKBVGCPZFND-UHFFFAOYSA-N -1 0 330.727 3.740 20 0 EHADRM Cc1cc(OCC(=O)Nc2c(F)cccc2C(=O)[O-])ccc1Cl ZINC000322897217 970941505 /nfs/dbraw/zinc/94/15/05/970941505.db2.gz GMEODVYJSLTTCA-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM COc1ccc(C(=O)[O-])cc1COc1c(Cl)cccc1[N+](=O)[O-] ZINC000323093311 970965738 /nfs/dbraw/zinc/96/57/38/970965738.db2.gz KLSDCJJCWXDXAY-UHFFFAOYSA-N -1 0 337.715 3.534 20 0 EHADRM O=C([O-])c1ccc(NC(=O)/C=C/c2csc(C(F)(F)F)c2)nc1 ZINC001601246566 970965924 /nfs/dbraw/zinc/96/59/24/970965924.db2.gz XXYYQVXRADXKDW-DAFODLJHSA-N -1 0 342.298 3.512 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cc(Cl)c(O)c3ccccc23)C1 ZINC001601587703 971027807 /nfs/dbraw/zinc/02/78/07/971027807.db2.gz HSHYNMBQJZUMMZ-VHSXEESVSA-N -1 0 333.771 3.638 20 0 EHADRM COc1cc(NC(=O)CCSc2ccccc2)ccc1C(=O)[O-] ZINC000323761277 971036495 /nfs/dbraw/zinc/03/64/95/971036495.db2.gz VQCHWLSNKPLXPE-UHFFFAOYSA-N -1 0 331.393 3.514 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)c2cc(-c3ccccc3)no2)c1 ZINC000323943862 971063075 /nfs/dbraw/zinc/06/30/75/971063075.db2.gz KUVUSIKUWKLIEY-UHFFFAOYSA-N -1 0 342.738 3.946 20 0 EHADRM CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000323946382 971065182 /nfs/dbraw/zinc/06/51/82/971065182.db2.gz BSDYKDLEVZCYPN-ONGXEEELSA-N -1 0 326.343 3.753 20 0 EHADRM O=C([O-])c1cc(F)ccc1COc1cc(F)c([N+](=O)[O-])cc1Cl ZINC000323973754 971068614 /nfs/dbraw/zinc/06/86/14/971068614.db2.gz CZVBWDYRMFPCBI-UHFFFAOYSA-N -1 0 343.669 3.804 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)Nc2cccc(F)c2Cl)Cc2ccccc21 ZINC001601844881 971072184 /nfs/dbraw/zinc/07/21/84/971072184.db2.gz QEIXSJAGOYKMET-GFCCVEGCSA-N -1 0 348.761 3.695 20 0 EHADRM Cc1ccc(C)c(OCCC(=O)Nc2ccc(F)cc2C(=O)[O-])c1 ZINC000323999800 971072621 /nfs/dbraw/zinc/07/26/21/971072621.db2.gz FJJIJZCTMWRUCU-UHFFFAOYSA-N -1 0 331.343 3.548 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)CCSc1ccccc1F ZINC000324061613 971079490 /nfs/dbraw/zinc/07/94/90/971079490.db2.gz WRPOSXZRDLFLET-UHFFFAOYSA-N -1 0 345.395 3.595 20 0 EHADRM Cc1sc(NC(=O)CCc2nc3ccccc3[nH]2)c(C(=O)[O-])c1C ZINC000324053894 971078734 /nfs/dbraw/zinc/07/87/34/971078734.db2.gz VBIKXOSIBJUFGV-UHFFFAOYSA-N -1 0 343.408 3.511 20 0 EHADRM CC(C)OCc1ccc(C(=O)Nc2ccc(F)cc2C(=O)[O-])cc1 ZINC000324134135 971086678 /nfs/dbraw/zinc/08/66/78/971086678.db2.gz SWMWWLKHIQTLRE-UHFFFAOYSA-N -1 0 331.343 3.701 20 0 EHADRM Cc1c(C(=O)[O-])cc(CNc2ccc(-c3nccs3)cc2)n1C ZINC000324214285 971097505 /nfs/dbraw/zinc/09/75/05/971097505.db2.gz XZYOQJKEDULEGL-UHFFFAOYSA-N -1 0 327.409 3.767 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cccc3c2CCCCC3)C1 ZINC001601977369 971102131 /nfs/dbraw/zinc/10/21/31/971102131.db2.gz YMNLIBYFPYQRKP-HNNXBMFYSA-N -1 0 329.440 3.673 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2Cc1ccccc1OC(F)F ZINC000324296433 971105616 /nfs/dbraw/zinc/10/56/16/971105616.db2.gz OIOZPSCLBADNBF-UHFFFAOYSA-N -1 0 333.334 3.939 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)CCSc1ccccc1 ZINC000324342948 971111159 /nfs/dbraw/zinc/11/11/59/971111159.db2.gz ZCLUYHYDGGENGX-UHFFFAOYSA-N -1 0 341.432 3.846 20 0 EHADRM COc1ccc(C(=O)[O-])c(OCc2cc(-c3ccccc3)no2)c1 ZINC000324435337 971120731 /nfs/dbraw/zinc/12/07/31/971120731.db2.gz WPZNNSBVWIENEN-UHFFFAOYSA-N -1 0 325.320 3.627 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)NC[C@H]2CCC[C@@H]2C2CC2)c1 ZINC001602043062 971127805 /nfs/dbraw/zinc/12/78/05/971127805.db2.gz NHRXPMHDEPSLOU-NVXWUHKLSA-N -1 0 330.428 3.652 20 0 EHADRM O=C([O-])COC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccco1)CC2 ZINC001602077334 971143173 /nfs/dbraw/zinc/14/31/73/971143173.db2.gz YJRGUNJVRYMOLX-BENRWUELSA-N -1 0 349.342 3.556 20 0 EHADRM Cc1ccccc1-c1noc(COc2cc(Cl)ccc2C(=O)[O-])n1 ZINC000324654079 971144500 /nfs/dbraw/zinc/14/45/00/971144500.db2.gz BPRVDMQVEUZRMS-UHFFFAOYSA-N -1 0 344.754 3.976 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N[C@@H](C2CC2)C2CCC2)cc1 ZINC000324746052 971154050 /nfs/dbraw/zinc/15/40/50/971154050.db2.gz NIPXGYMJDGSZRF-MRXNPFEDSA-N -1 0 330.428 3.749 20 0 EHADRM CCN(CC)c1ccc(C(=O)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC000324839033 971162168 /nfs/dbraw/zinc/16/21/68/971162168.db2.gz CNRATUFSIXEULW-UHFFFAOYSA-N -1 0 326.396 3.792 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)c1cc(Cl)c2ccccc2n1 ZINC000325102929 971185437 /nfs/dbraw/zinc/18/54/37/971185437.db2.gz XMXDNQVPPYYEIL-UHFFFAOYSA-N -1 0 344.729 3.978 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)c1 ZINC000325376251 971210340 /nfs/dbraw/zinc/21/03/40/971210340.db2.gz RAVMAWIMTYVEJG-DOMZBBRYSA-N -1 0 336.432 3.875 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)Nc1cc(F)ccc1Cl)CC2 ZINC000325956253 971257366 /nfs/dbraw/zinc/25/73/66/971257366.db2.gz NSGCZJDUWQSTOJ-UHFFFAOYSA-N -1 0 348.761 3.768 20 0 EHADRM CC(C)Oc1ccc(NC(=O)NCCc2ccc(C(=O)[O-])cc2)cc1 ZINC000326513878 971300637 /nfs/dbraw/zinc/30/06/37/971300637.db2.gz SIOHSCQZUBAOHV-UHFFFAOYSA-N -1 0 342.395 3.536 20 0 EHADRM Cc1ccccc1N(CCC(=O)[O-])C(=O)c1ccccc1OC(F)F ZINC000326645276 971312591 /nfs/dbraw/zinc/31/25/91/971312591.db2.gz XQVCXZWSAJBZDY-UHFFFAOYSA-N -1 0 349.333 3.718 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1occc1-c1ccccc1 ZINC000326673115 971316006 /nfs/dbraw/zinc/31/60/06/971316006.db2.gz KEIIHBPZVFBMLK-UHFFFAOYSA-N -1 0 333.343 3.848 20 0 EHADRM C[C@H](CCc1ccccc1)NC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000326855736 971336037 /nfs/dbraw/zinc/33/60/37/971336037.db2.gz RSKFFXBAEJSAJN-NVXWUHKLSA-N -1 0 346.471 3.540 20 0 EHADRM Cc1ccc(OCCC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)c(C)c1 ZINC000326825612 971332789 /nfs/dbraw/zinc/33/27/89/971332789.db2.gz JNYVDHZZSIIOLM-UHFFFAOYSA-N -1 0 349.333 3.687 20 0 EHADRM C[C@@H](CCNC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000326891950 971341360 /nfs/dbraw/zinc/34/13/60/971341360.db2.gz GMJLEMBNTSHVDO-NSHDSACASA-N -1 0 348.349 3.978 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)n1 ZINC000326888449 971341528 /nfs/dbraw/zinc/34/15/28/971341528.db2.gz FBUPGZVQERGASW-UHFFFAOYSA-N -1 0 330.343 3.603 20 0 EHADRM Cc1cc2ccccc2n1CC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000327135125 971369760 /nfs/dbraw/zinc/36/97/60/971369760.db2.gz RGXJPSCKHXXWBG-UHFFFAOYSA-N -1 0 344.317 3.565 20 0 EHADRM Cc1ccc(C)c(OCCC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000327154852 971373166 /nfs/dbraw/zinc/37/31/66/971373166.db2.gz VQCOJDZRKLHMTH-UHFFFAOYSA-N -1 0 349.333 3.687 20 0 EHADRM O=C([O-])c1cccc2c1OCCN2C(=O)c1ccc2ccccc2c1 ZINC000327209299 971377464 /nfs/dbraw/zinc/37/74/64/971377464.db2.gz JLDZSOZDVUJESV-UHFFFAOYSA-N -1 0 333.343 3.577 20 0 EHADRM Cc1cccc(C2(C(=O)N3CCc4cc(C(=O)[O-])ccc43)CCC2)c1 ZINC000327271781 971381950 /nfs/dbraw/zinc/38/19/50/971381950.db2.gz GPNKOVSRRHCLJR-UHFFFAOYSA-N -1 0 335.403 3.704 20 0 EHADRM COCCc1ccc(Oc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000327312068 971386093 /nfs/dbraw/zinc/38/60/93/971386093.db2.gz QYBHFDCBACXXDP-UITAMQMPSA-N -1 0 343.335 3.674 20 0 EHADRM CC(=O)c1c(C)cc(NC(=O)N2CCC(CCC(=O)[O-])CC2)cc1C ZINC001602771950 971502859 /nfs/dbraw/zinc/50/28/59/971502859.db2.gz XYLSOFWXCLZFGJ-UHFFFAOYSA-N -1 0 346.427 3.615 20 0 EHADRM Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)CCCC(=O)[O-])cc1 ZINC000000325126 948765185 /nfs/dbraw/zinc/76/51/85/948765185.db2.gz FZSALQMEOLEJNR-UHFFFAOYSA-N -1 0 343.427 3.672 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)CCCSc1ccc(Cl)cc1)C(=O)[O-] ZINC000336851617 971514981 /nfs/dbraw/zinc/51/49/81/971514981.db2.gz XGLKFOQGTWCTRP-IAQYHMDHSA-N -1 0 343.876 3.828 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1ccc(Br)c(F)c1 ZINC000043576061 948890492 /nfs/dbraw/zinc/89/04/92/948890492.db2.gz UHAIVFDTPCOKPY-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000345192486 971518557 /nfs/dbraw/zinc/51/85/57/971518557.db2.gz DJEVOUWCZVTQIZ-UHFFFAOYSA-N -1 0 328.368 3.703 20 0 EHADRM C[C@H](C(=O)[O-])N(C)C(=O)c1ccc(CSc2ccccc2)cc1 ZINC000342567205 971518741 /nfs/dbraw/zinc/51/87/41/971518741.db2.gz MLTLKMJBQIJEMH-CYBMUJFWSA-N -1 0 329.421 3.524 20 0 EHADRM Cc1nc2sc3c(c2c(N[C@H](C(=O)[O-])C(C)C)n1)CC[C@@H](C)C3 ZINC000058279778 948939618 /nfs/dbraw/zinc/93/96/18/948939618.db2.gz SRSVDXGMXKMWIM-OTYXRUKQSA-N -1 0 333.457 3.646 20 0 EHADRM CCCC[C@@H](NC(=O)c1cccc(N[C@@H](C)C(C)C)c1C)C(=O)[O-] ZINC000347257686 971521860 /nfs/dbraw/zinc/52/18/60/971521860.db2.gz IIDCEPLYUUDCRJ-WMLDXEAASA-N -1 0 334.460 3.825 20 0 EHADRM CCCC[C@H](NC(=O)c1ccccc1N(C)c1ccccc1)C(=O)[O-] ZINC000347259058 971522217 /nfs/dbraw/zinc/52/22/17/971522217.db2.gz KABSEPVTMOYBLG-KRWDZBQOSA-N -1 0 340.423 3.828 20 0 EHADRM CCCC[C@H](NC(=O)CCc1ccc(-c2ccccc2)o1)C(=O)[O-] ZINC000347268577 971523090 /nfs/dbraw/zinc/52/30/90/971523090.db2.gz YSTCRJJCKKOLLW-INIZCTEOSA-N -1 0 329.396 3.639 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)[C@H](C)CSc2ccccc2)C1 ZINC001589583679 949019119 /nfs/dbraw/zinc/01/91/19/949019119.db2.gz BZPYXDJNEWJOFV-RDTXWAMCSA-N -1 0 335.469 3.518 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CCSc3c(F)cccc32)c(F)c1 ZINC000358612700 971532453 /nfs/dbraw/zinc/53/24/53/971532453.db2.gz QJFOJXVFZYIUMV-CQSZACIVSA-N -1 0 349.358 3.630 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2ccc(OCC(F)F)cc2)CCCC1 ZINC000359179612 971532748 /nfs/dbraw/zinc/53/27/48/971532748.db2.gz WFMOJYHDOBQQOY-UHFFFAOYSA-N -1 0 341.354 3.694 20 0 EHADRM CC[C@@](C)(NC(=O)Cc1coc2cc(C)c(C(C)C)cc12)C(=O)[O-] ZINC000362332439 971533886 /nfs/dbraw/zinc/53/38/86/971533886.db2.gz HZRDTAYFMKYRBD-LJQANCHMSA-N -1 0 331.412 3.777 20 0 EHADRM O=C([O-])CC1CCN(C(=O)CCc2ccc(-c3ccccc3)o2)CC1 ZINC000362394231 971534694 /nfs/dbraw/zinc/53/46/94/971534694.db2.gz AUOUXZBTXYNDRC-UHFFFAOYSA-N -1 0 341.407 3.593 20 0 EHADRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(F)cc1 ZINC000362520100 971536080 /nfs/dbraw/zinc/53/60/80/971536080.db2.gz ONQSWLVIXNNIFY-UHFFFAOYSA-N -1 0 349.789 3.525 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001589586951 949061889 /nfs/dbraw/zinc/06/18/89/949061889.db2.gz JJWGHYDZGZZHEO-KRWDZBQOSA-N -1 0 328.364 3.594 20 0 EHADRM CCC[C@H](NC(=O)C[C@@H](Cc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000347423289 971526055 /nfs/dbraw/zinc/52/60/55/971526055.db2.gz OHUREEMTGBIJPK-MOPGFXCFSA-N -1 0 339.435 3.773 20 0 EHADRM C[C@@H](C(=O)NC1(CC(=O)[O-])CCCCC1)c1cn(C)c2ccccc12 ZINC001602789039 971540897 /nfs/dbraw/zinc/54/08/97/971540897.db2.gz KVCZUTNUGRNYDR-CQSZACIVSA-N -1 0 342.439 3.576 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)CCCCOc2cccc(C)c2)C1 ZINC001589591056 949085054 /nfs/dbraw/zinc/08/50/54/949085054.db2.gz DBJZSWFRTPQNLN-FQEVSTJZSA-N -1 0 347.455 3.648 20 0 EHADRM C[C@H](C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1)c1ccccc1 ZINC000366912480 971546949 /nfs/dbraw/zinc/54/69/49/971546949.db2.gz MIXWQMPEQHFIBS-ZDUSSCGKSA-N -1 0 348.402 3.555 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Cc2coc3cc(C)c(C)cc23)C1 ZINC001589594915 949131540 /nfs/dbraw/zinc/13/15/40/949131540.db2.gz CDVDOWXLAOVFJO-HXUWFJFHSA-N -1 0 343.423 3.696 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCCc3ccccc3CC2)c(F)c1 ZINC001595235868 949397378 /nfs/dbraw/zinc/39/73/78/949397378.db2.gz ZQKNPXCXPKUXPC-UHFFFAOYSA-N -1 0 342.370 3.547 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)C(F)(F)c1ccc(F)cc1 ZINC001595238024 949424033 /nfs/dbraw/zinc/42/40/33/949424033.db2.gz FIKBJUMJVBNMFH-UHFFFAOYSA-N -1 0 349.308 3.595 20 0 EHADRM CC[C@@H]1CN(C(=O)[C@@]2(C(=O)[O-])CC2(C)C)CC[C@@H]1c1ccccc1 ZINC001589624090 949452106 /nfs/dbraw/zinc/45/21/06/949452106.db2.gz ACDBXHPMSZYIRF-PTSWNOGYSA-N -1 0 329.440 3.530 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000178074307 949486132 /nfs/dbraw/zinc/48/61/32/949486132.db2.gz CWVQOTIOBTWGPN-LLVKDONJSA-N -1 0 331.334 3.521 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2ccncc2Oc2ccccc2)c1 ZINC001595244404 949497840 /nfs/dbraw/zinc/49/78/40/949497840.db2.gz GUWVLELIJZVNIA-UHFFFAOYSA-N -1 0 348.358 3.502 20 0 EHADRM O=C([O-])[C@H]1CCCCN1C(=O)Cc1csc2ccc(Cl)cc12 ZINC000190547350 949498080 /nfs/dbraw/zinc/49/80/80/949498080.db2.gz VDDVRCBDTGSRDR-CYBMUJFWSA-N -1 0 337.828 3.563 20 0 EHADRM O=C([O-])c1cccc(CNCc2cccc(F)c2Br)c1 ZINC001595245150 949512629 /nfs/dbraw/zinc/51/26/29/949512629.db2.gz VKDLKDQCVKLZDF-UHFFFAOYSA-N -1 0 338.176 3.576 20 0 EHADRM O=C([O-])c1cccc(N[C@H]2CCCc3c2cnn3Cc2ccccc2)n1 ZINC001595249180 949535733 /nfs/dbraw/zinc/53/57/33/949535733.db2.gz SRCHZHNCJPWCBN-INIZCTEOSA-N -1 0 348.406 3.514 20 0 EHADRM CCCCN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[C@@H](C)c1ccc(C)o1 ZINC001589648304 949762033 /nfs/dbraw/zinc/76/20/33/949762033.db2.gz UXYCXOHFCCJYKG-ZNMIVQPWSA-N -1 0 336.432 3.714 20 0 EHADRM CCCCOc1ccc(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c(C)c1 ZINC001589654643 949807409 /nfs/dbraw/zinc/80/74/09/949807409.db2.gz VMCHIJAJDPBPKA-KGLIPLIRSA-N -1 0 334.416 3.549 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)C(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC001589660344 949862445 /nfs/dbraw/zinc/86/24/45/949862445.db2.gz LTIYTJBHCKGAGC-UHFFFAOYSA-N -1 0 345.361 3.597 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)O[C@@H]1CCc2c1cc(Cl)cc2Cl ZINC001595274517 949894782 /nfs/dbraw/zinc/89/47/82/949894782.db2.gz COXMTWDRRDMLNP-GBIKHYSHSA-N -1 0 329.179 3.635 20 0 EHADRM Cc1cc(C)c2nc(C3CC3)cc(C(=O)N[C@H](C(=O)[O-])C(C)C)c2c1 ZINC000236767886 949935546 /nfs/dbraw/zinc/93/55/46/949935546.db2.gz AANXRZOOGJENQZ-KRWDZBQOSA-N -1 0 340.423 3.568 20 0 EHADRM CC(C)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000236789098 949937159 /nfs/dbraw/zinc/93/71/59/949937159.db2.gz OREYSFHCBLADTK-RCCFBDPRSA-N -1 0 325.408 3.559 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)c1ccc(-c2ccc(C)cc2)cc1F ZINC000236946308 949945820 /nfs/dbraw/zinc/94/58/20/949945820.db2.gz FYRUHFXRDVEGRS-UHFFFAOYSA-N -1 0 329.371 3.738 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)cc2C1 ZINC000237547825 949965131 /nfs/dbraw/zinc/96/51/31/949965131.db2.gz XYYSCVJSMXYYQG-OLZOCXBDSA-N -1 0 335.469 3.590 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)CCSc1ccc(F)cc1 ZINC000237923636 949980911 /nfs/dbraw/zinc/98/09/11/949980911.db2.gz IYHHZPUPZCYCDZ-AWEZNQCLSA-N -1 0 339.432 3.554 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)c1 ZINC000262375135 950113497 /nfs/dbraw/zinc/11/34/97/950113497.db2.gz JGQVPUDTFSSVCC-KGLIPLIRSA-N -1 0 345.345 3.724 20 0 EHADRM CCCc1ccc(CCCC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)cc1 ZINC001589691719 950124823 /nfs/dbraw/zinc/12/48/23/950124823.db2.gz UGMWIWSMNCUXQQ-MAUKXSAKSA-N -1 0 331.456 3.674 20 0 EHADRM C[C@@H]1CN(C(=O)C2(Sc3ccccc3)CCCC2)CC[C@H]1C(=O)[O-] ZINC000262872845 950178504 /nfs/dbraw/zinc/17/85/04/950178504.db2.gz GEIQVNCKFLWXJR-GDBMZVCRSA-N -1 0 347.480 3.661 20 0 EHADRM CC(C)(CCNC(=O)c1ccccc1Cc1ccccc1)C(=O)[O-] ZINC000262928285 950190231 /nfs/dbraw/zinc/19/02/31/950190231.db2.gz GUVUTNVBMBPWCS-UHFFFAOYSA-N -1 0 325.408 3.508 20 0 EHADRM CCC(CC)[C@@H](NC(=O)N(C)C[C@H](C)C(=O)[O-])c1cccs1 ZINC000262942287 950195824 /nfs/dbraw/zinc/19/58/24/950195824.db2.gz HMMWOAPFMNYWGQ-SMDDNHRTSA-N -1 0 326.462 3.588 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)C1CCC(c2ccccc2)CC1 ZINC000263127529 950281730 /nfs/dbraw/zinc/28/17/30/950281730.db2.gz FSKBWGZBXZPICJ-IWCVFHTOSA-N -1 0 329.440 3.672 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)N(C)C[C@H](C)C(=O)[O-])CCC2 ZINC000263277171 950347560 /nfs/dbraw/zinc/34/75/60/950347560.db2.gz SMWHKFBIKHFFPK-GUYCJALGSA-N -1 0 332.444 3.550 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2sccc2-c2ccccc2)C1 ZINC000263326338 950370865 /nfs/dbraw/zinc/37/08/65/950370865.db2.gz KPXMLODQTBHFQA-OCCSQVGLSA-N -1 0 329.421 3.598 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccccc2NC2CCCCC2)C1 ZINC000263400687 950439398 /nfs/dbraw/zinc/43/93/98/950439398.db2.gz ZYSMAORZHSUBAB-CABCVRRESA-N -1 0 344.455 3.614 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccccc2NC2CCCCC2)C1 ZINC000263400688 950440419 /nfs/dbraw/zinc/44/04/19/950440419.db2.gz ZYSMAORZHSUBAB-GJZGRUSLSA-N -1 0 344.455 3.614 20 0 EHADRM CN(CCC(=O)[O-])C(=O)N[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000263419950 950451758 /nfs/dbraw/zinc/45/17/58/950451758.db2.gz WPYWUCJFJIQIEC-AWEZNQCLSA-N -1 0 345.226 3.561 20 0 EHADRM O=C([O-])c1cccc(CNc2cccc(OC[C@H]3CCCO3)c2)c1 ZINC000263444522 950468066 /nfs/dbraw/zinc/46/80/66/950468066.db2.gz FLGQRDKIAZJMDG-GOSISDBHSA-N -1 0 327.380 3.555 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000263535141 950504621 /nfs/dbraw/zinc/50/46/21/950504621.db2.gz YTFJAVPATAOINN-SDDRHHMPSA-N -1 0 341.860 3.532 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ncc(-c2ccccc2F)s1 ZINC001602852986 971694888 /nfs/dbraw/zinc/69/48/88/971694888.db2.gz HSZDDTWPORJCLH-LBPRGKRZSA-N -1 0 336.388 3.635 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Nc1cccc(Cl)c1F ZINC000315707377 950851212 /nfs/dbraw/zinc/85/12/12/950851212.db2.gz CFNHNJJRLBADSZ-JTQLQIEISA-N -1 0 328.771 3.730 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)Oc2ccc(OC3CCC3)cc2)co1 ZINC001594971185 950854408 /nfs/dbraw/zinc/85/44/08/950854408.db2.gz OPQLVNPVDBJMJP-CMDGGOBGSA-N -1 0 328.320 3.528 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(c2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000320663666 950998176 /nfs/dbraw/zinc/99/81/76/950998176.db2.gz KKCRCPKIBASBFG-OAHLLOKOSA-N -1 0 328.315 3.614 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2)Cc2ccccc21 ZINC000320745166 951000981 /nfs/dbraw/zinc/00/09/81/951000981.db2.gz NZPJKVHVXUHHLI-OAHLLOKOSA-N -1 0 330.771 3.556 20 0 EHADRM Cc1ccc(NC(=O)N2CCC(C)(C(=O)[O-])CC2)cc1C(F)(F)F ZINC000324787762 951073430 /nfs/dbraw/zinc/07/34/30/951073430.db2.gz KOIUEZDRBSGMLV-UHFFFAOYSA-N -1 0 344.333 3.732 20 0 EHADRM O=C([O-])CCC(=O)N1CCCc2cc(C(F)(F)F)cc(Cl)c21 ZINC001594996054 951079934 /nfs/dbraw/zinc/07/99/34/951079934.db2.gz PGRCGJAZMAIEDV-UHFFFAOYSA-N -1 0 335.709 3.503 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001602860469 971715116 /nfs/dbraw/zinc/71/51/16/971715116.db2.gz CBZICHKGHZUVQE-LBPRGKRZSA-N -1 0 331.334 3.715 20 0 EHADRM CC(C)[C@H](CNC(=O)Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)[O-] ZINC000327027865 951107999 /nfs/dbraw/zinc/10/79/99/951107999.db2.gz FKCKFBKITKWDMX-SFHVURJKSA-N -1 0 338.407 3.736 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)Nc2ccc(Cl)cc2F)C1 ZINC000386773176 951303066 /nfs/dbraw/zinc/30/30/66/951303066.db2.gz AYHLUKDZWDPWKF-JTQLQIEISA-N -1 0 328.771 3.588 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000387718692 951320219 /nfs/dbraw/zinc/32/02/19/951320219.db2.gz AFJIQVIUYNZEFZ-HNNXBMFYSA-N -1 0 328.771 3.588 20 0 EHADRM O=C([O-])CC[C@H]1Cc2ccccc2N(CCSc2ccncc2)C1 ZINC001595024997 951337239 /nfs/dbraw/zinc/33/72/39/951337239.db2.gz VZUPYAUQANXMSQ-HNNXBMFYSA-N -1 0 342.464 3.717 20 0 EHADRM O=C([O-])CCNC(=O)N[C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC001595059122 951509761 /nfs/dbraw/zinc/50/97/61/951509761.db2.gz TZOUREOBQROTMT-LSDHHAIUSA-N -1 0 338.835 3.530 20 0 EHADRM O=C([O-])CCNC(=O)c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC001595060457 951515028 /nfs/dbraw/zinc/51/50/28/951515028.db2.gz JCMRRNFKWBQGIE-UHFFFAOYSA-N -1 0 335.812 3.696 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1cc(Cl)ccc1Cl ZINC000397090415 951520242 /nfs/dbraw/zinc/52/02/42/951520242.db2.gz VGZPBRIRITXMED-BDAKNGLRSA-N -1 0 331.199 3.710 20 0 EHADRM O=C([O-])CCc1cccc(NCc2cnn(-c3ccc(F)cc3)c2)c1 ZINC001595066836 951558880 /nfs/dbraw/zinc/55/88/80/951558880.db2.gz XQKZQLBILSQXCH-UHFFFAOYSA-N -1 0 339.370 3.641 20 0 EHADRM O=C([O-])COc1ccc(C(=O)O[C@@H]2CCc3cc(Cl)ccc32)cc1 ZINC001595120027 951970314 /nfs/dbraw/zinc/97/03/14/951970314.db2.gz NXLRQJXNDDAWAY-MRXNPFEDSA-N -1 0 346.766 3.648 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC001595136501 952056496 /nfs/dbraw/zinc/05/64/96/952056496.db2.gz JDEAIEIYLVKJNE-KOMQPUFPSA-N -1 0 342.370 3.521 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)Nc1ccn(C2CCCCC2)n1 ZINC001595136951 952060204 /nfs/dbraw/zinc/06/02/04/952060204.db2.gz HTDKUQMAPXXFNO-UHFFFAOYSA-N -1 0 342.399 3.659 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)[C@H](F)Cc2ccccc2)c1Cl ZINC001595206674 952331780 /nfs/dbraw/zinc/33/17/80/952331780.db2.gz NADHKBDLPZKILL-LLVKDONJSA-N -1 0 339.725 3.697 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CCC[C@H](C3CCCCC3)C2)ccn1 ZINC001595208516 952349907 /nfs/dbraw/zinc/34/99/07/952349907.db2.gz JKIXKPBQJPEENT-AWEZNQCLSA-N -1 0 331.416 3.604 20 0 EHADRM CC(C)(C)c1ccc(C2(CNC(=O)[C@@H](C(=O)[O-])C3CC3)CCC2)cc1 ZINC001602922892 971882334 /nfs/dbraw/zinc/88/23/34/971882334.db2.gz IQMUPCZBLYXVLZ-KRWDZBQOSA-N -1 0 343.467 3.633 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NCC(C)(C)c1cccc(Cl)c1F ZINC001602944390 971917176 /nfs/dbraw/zinc/91/71/76/971917176.db2.gz WQKRUMBXMZMIFK-GFCCVEGCSA-N -1 0 343.826 3.620 20 0 EHADRM O=C([O-])CCCCCNC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000414592754 953394683 /nfs/dbraw/zinc/39/46/83/953394683.db2.gz DASVXUKYFDUJRY-MRXNPFEDSA-N -1 0 338.835 3.735 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)CCCCc2ccc(Cl)cc2)C1 ZINC001589269219 953398220 /nfs/dbraw/zinc/39/82/20/953398220.db2.gz RUMNQNDSWNEFMD-ZFWWWQNUSA-N -1 0 337.847 3.622 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)NC[C@@H]2CC=CCC2)c1Cl ZINC001594748375 953399623 /nfs/dbraw/zinc/39/96/23/953399623.db2.gz IINFYOJBZOSPJP-SECBINFHSA-N -1 0 326.755 3.655 20 0 EHADRM CCC(CC)(CNC(=O)c1sc2nccc(C)c2c1C)C(=O)[O-] ZINC000424248244 953435269 /nfs/dbraw/zinc/43/52/69/953435269.db2.gz NDGPLXFPALCQTP-UHFFFAOYSA-N -1 0 334.441 3.534 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NCC[C@@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC001589274409 953446930 /nfs/dbraw/zinc/44/69/30/953446930.db2.gz SQBMNMOSUSYDLY-JJXSEGSLSA-N -1 0 338.492 3.591 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)CC2 ZINC001589274546 953450393 /nfs/dbraw/zinc/45/03/93/953450393.db2.gz UHEHXBKDGUTRJL-SKDZVZGDSA-N -1 0 344.455 3.550 20 0 EHADRM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424393514 953457993 /nfs/dbraw/zinc/45/79/93/953457993.db2.gz AKYZEUVZGYWTRS-UHFFFAOYSA-N -1 0 347.242 3.636 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)NCCC(C)(C)C(=O)[O-])cc1 ZINC000424405383 953470693 /nfs/dbraw/zinc/47/06/93/953470693.db2.gz HSZQUCRSMSGAPG-LBPRGKRZSA-N -1 0 338.473 3.660 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1ccc(C(F)(F)F)cc1Cl)C(=O)[O-] ZINC001593612985 953471186 /nfs/dbraw/zinc/47/11/86/953471186.db2.gz BOXUVKRKZLLOOV-CPCISQLKSA-N -1 0 337.725 3.588 20 0 EHADRM Cc1ccc([C@H]2CCCCN2C(=O)NCCC(C)(C)C(=O)[O-])cc1 ZINC000424410415 953474530 /nfs/dbraw/zinc/47/45/30/953474530.db2.gz YYYXYXNFJDYGCY-MRXNPFEDSA-N -1 0 332.444 3.733 20 0 EHADRM C[C@H]1CCCN(Cc2ccc(Sc3ccccn3)o2)[C@@H]1C(=O)[O-] ZINC000424424366 953482278 /nfs/dbraw/zinc/48/22/78/953482278.db2.gz WIMDRKVHVOLZOZ-LRDDRELGSA-N -1 0 332.425 3.511 20 0 EHADRM CCC(CC)(CNC(=O)N(C)C/C(C)=C\c1ccccc1)C(=O)[O-] ZINC000424434133 953487026 /nfs/dbraw/zinc/48/70/26/953487026.db2.gz TUPSORANEAFJIW-QINSGFPZSA-N -1 0 332.444 3.622 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])CC1 ZINC000431455997 953500423 /nfs/dbraw/zinc/50/04/23/953500423.db2.gz HQJHCWNHROUEJP-ZVZYQTTQSA-N -1 0 329.440 3.659 20 0 EHADRM COc1cc(C(=O)Nc2cccc(CCC(=O)[O-])c2)ccc1Cl ZINC000432001991 953502954 /nfs/dbraw/zinc/50/29/54/953502954.db2.gz SWPNRHHJGYZFNQ-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000479531618 953524664 /nfs/dbraw/zinc/52/46/64/953524664.db2.gz VCKVVEXIQGFFTM-INIZCTEOSA-N -1 0 331.343 3.628 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCc2ccc(Cl)cc2F)c(F)c1 ZINC001594768580 953541830 /nfs/dbraw/zinc/54/18/30/953541830.db2.gz CBZDWYNYOYSFJE-UHFFFAOYSA-N -1 0 340.713 3.638 20 0 EHADRM O=C([O-])C1(CNC(=O)c2occc2CSc2ccccc2)CCC1 ZINC000532262396 953562533 /nfs/dbraw/zinc/56/25/33/953562533.db2.gz RCSGODJBSZBWCD-UHFFFAOYSA-N -1 0 345.420 3.557 20 0 EHADRM C[C@@H]1CC(C(=O)Nc2sc3c(c2C(=O)[O-])COCC3)C[C@@H](C)C1 ZINC001589285590 953566072 /nfs/dbraw/zinc/56/60/72/953566072.db2.gz ZOKGXCAHAFDVGA-UWVGGRQHSA-N -1 0 337.441 3.530 20 0 EHADRM Cc1cc(NC(=O)c2ccc(C(=O)[O-])cn2)ccc1Oc1cccnc1 ZINC000552012770 953581713 /nfs/dbraw/zinc/58/17/13/953581713.db2.gz HSDSAGOVYWAGDD-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM O=C([O-])CCC(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1 ZINC000561705725 953589678 /nfs/dbraw/zinc/58/96/78/953589678.db2.gz RCSGLEFSRLJVDV-MRXNPFEDSA-N -1 0 331.799 3.605 20 0 EHADRM Cc1cc(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)ccc1C(F)(F)F ZINC000562806533 953591545 /nfs/dbraw/zinc/59/15/45/953591545.db2.gz HPHWMBYINXIUAW-NSHDSACASA-N -1 0 344.333 3.732 20 0 EHADRM CC(C)c1cc(C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c2ccccc2n1 ZINC000563145386 953596587 /nfs/dbraw/zinc/59/65/87/953596587.db2.gz WWWPUOGSCFWYHA-CJNGLKHVSA-N -1 0 340.423 3.541 20 0 EHADRM CCc1ccc(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1CC ZINC001593635168 953604841 /nfs/dbraw/zinc/60/48/41/953604841.db2.gz BHBDWDMETQNDPJ-IBGZPJMESA-N -1 0 337.419 3.636 20 0 EHADRM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NCC2(C(=O)[O-])CCC2)o1 ZINC001593637341 953617431 /nfs/dbraw/zinc/61/74/31/953617431.db2.gz SXFLHRNHNAWEES-HIFRSBDPSA-N -1 0 348.443 3.580 20 0 EHADRM CCc1cccc(Oc2ccc(NC(=O)[C@@H](C(=O)[O-])C(C)C)cn2)c1 ZINC001593642073 953653215 /nfs/dbraw/zinc/65/32/15/953653215.db2.gz WILXUWFZNLQEOY-KRWDZBQOSA-N -1 0 342.395 3.732 20 0 EHADRM Cc1cc2ccccc2c(NC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000570211451 953654336 /nfs/dbraw/zinc/65/43/36/953654336.db2.gz DYXFAJXSEZOQFT-BBRMVZONSA-N -1 0 326.396 3.723 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)C[C@H]1C(=O)[O-] ZINC000573324702 953673541 /nfs/dbraw/zinc/67/35/41/953673541.db2.gz WLNVPNJQPXVRNU-GZMMTYOYSA-N -1 0 349.736 3.542 20 0 EHADRM C[C@@H]1CC/C(=C/C(=O)Nc2scc(-c3cnn(C)c3)c2C(=O)[O-])C1 ZINC001589299412 953680619 /nfs/dbraw/zinc/68/06/19/953680619.db2.gz KGGUJMMNMCBDDL-CHPNCVJKSA-N -1 0 345.424 3.532 20 0 EHADRM CCCC1CCC(N(C)C(=O)c2cccc(OCC(=O)[O-])c2)CC1 ZINC000579614858 953710413 /nfs/dbraw/zinc/71/04/13/953710413.db2.gz OTZCKASLTRXCAP-UHFFFAOYSA-N -1 0 333.428 3.581 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccc(OC3CCCC3)cc2)C[C@H]1C(=O)[O-] ZINC000583752984 953729946 /nfs/dbraw/zinc/72/99/46/953729946.db2.gz JEFHKDPIEUZFQL-SUMWQHHRSA-N -1 0 346.427 3.583 20 0 EHADRM C[C@@H]1CN(C(=O)N[C@H](c2ccccc2)C(C)(C)C)CC[C@@H]1C(=O)[O-] ZINC000626746318 953800575 /nfs/dbraw/zinc/80/05/75/953800575.db2.gz NQJIZTCMOJEJRJ-VNQPRFMTSA-N -1 0 332.444 3.526 20 0 EHADRM CCC(C)(C)c1ccc(CNC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC000626758013 953812533 /nfs/dbraw/zinc/81/25/33/953812533.db2.gz KHIXOUUGORPNIV-WMLDXEAASA-N -1 0 346.471 3.626 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 ZINC001602969626 971961797 /nfs/dbraw/zinc/96/17/97/971961797.db2.gz ADMJKLGNYNOTQI-OAHLLOKOSA-N -1 0 344.436 3.594 20 0 EHADRM C[C@H](NC(=O)N[C@@H](C)[C@@H]1CCC[C@@H](C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589319976 953851731 /nfs/dbraw/zinc/85/17/31/953851731.db2.gz SHCNCILWSNUHBV-HLZFJGBKSA-N -1 0 338.492 3.636 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1nc(-c2cccc(Cl)c2)cs1 ZINC001594818845 953891534 /nfs/dbraw/zinc/89/15/34/953891534.db2.gz WHLJFTXJAPSOGI-WDEREUQCSA-N -1 0 336.800 3.513 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2ccc3ccccc3c2)C2CC2)nc1 ZINC000642210314 953896899 /nfs/dbraw/zinc/89/68/99/953896899.db2.gz UDAHTSCROPOJLG-UHFFFAOYSA-N -1 0 346.386 3.738 20 0 EHADRM C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000646155143 953936052 /nfs/dbraw/zinc/93/60/52/953936052.db2.gz HFKPDMAMELPPTQ-RHSMWYFYSA-N -1 0 344.455 3.596 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)N[C@H]2CCC[C@H](c3ccccc3)C2)CC1 ZINC000646156188 953937962 /nfs/dbraw/zinc/93/79/62/953937962.db2.gz RQAPJKJDDWTMCS-IRXDYDNUSA-N -1 0 344.455 3.609 20 0 EHADRM CC[C@H](CNC(=O)c1oc2c(ccc3ccccc23)c1C)C(=O)[O-] ZINC000649263703 953992271 /nfs/dbraw/zinc/99/22/71/953992271.db2.gz HUVOWQHWAVZXAE-GFCCVEGCSA-N -1 0 325.364 3.735 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(Sc2ccncc2)cc1 ZINC001602970779 971979151 /nfs/dbraw/zinc/97/91/51/971979151.db2.gz UAYSJZASBFIUEL-OAHLLOKOSA-N -1 0 330.409 3.528 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2F)C[C@H]1C(=O)[O-] ZINC001589343262 954030082 /nfs/dbraw/zinc/03/00/82/954030082.db2.gz CBMBHFHXODKFMG-VXNVDRBHSA-N -1 0 349.189 3.707 20 0 EHADRM CC(C)C[C@H](CNC(=O)C1(c2ccc(F)cc2)CCC1)CC(=O)[O-] ZINC000652085655 954040644 /nfs/dbraw/zinc/04/06/44/954040644.db2.gz OWGHOVDJKUHIOI-AWEZNQCLSA-N -1 0 335.419 3.501 20 0 EHADRM CC(C)C[C@H](CNC(=O)CCc1cccc(Cl)c1)CC(=O)[O-] ZINC000652085665 954040695 /nfs/dbraw/zinc/04/06/95/954040695.db2.gz PJKUWGUAFWNRKN-AWEZNQCLSA-N -1 0 325.836 3.526 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)C[C@@H]1C ZINC001589344827 954047465 /nfs/dbraw/zinc/04/74/65/954047465.db2.gz YFVCLWXIVXPSDW-BDAKNGLRSA-N -1 0 328.771 3.687 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc3cc(C(C)(C)C)ccc3[nH]2)C[C@@H]1C(=O)[O-] ZINC001589348292 954067082 /nfs/dbraw/zinc/06/70/82/954067082.db2.gz RNWQLYKQBBVWAN-WFASDCNBSA-N -1 0 342.439 3.648 20 0 EHADRM O=C([O-])[C@@H](Sc1nc2c(n1-c1ccccc1)CCCC2)C1CC1 ZINC001594843176 954098946 /nfs/dbraw/zinc/09/89/46/954098946.db2.gz JBAKLNQJKOAMJP-INIZCTEOSA-N -1 0 328.437 3.706 20 0 EHADRM Cc1ccc(SCC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000653333185 954164106 /nfs/dbraw/zinc/16/41/06/954164106.db2.gz MAQNSAHGWQKCTL-SJORKVTESA-N -1 0 341.432 3.517 20 0 EHADRM CCc1sc(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1C ZINC000653333670 954165407 /nfs/dbraw/zinc/16/54/07/954165407.db2.gz RRIYTTIVSIAGPF-KBPBESRZSA-N -1 0 329.421 3.662 20 0 EHADRM C[C@]1(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)CCCc2ccccc21 ZINC000653335414 954168743 /nfs/dbraw/zinc/16/87/43/954168743.db2.gz OWNUESCQTKWOGA-KPLVRAHFSA-N -1 0 349.430 3.710 20 0 EHADRM CC(C)[C@@H](CNC(=O)C1(c2cccc(Cl)c2)CCCC1)C(=O)[O-] ZINC001602978274 971992640 /nfs/dbraw/zinc/99/26/40/971992640.db2.gz RBLGCOLBMVWYCH-OAHLLOKOSA-N -1 0 337.847 3.625 20 0 EHADRM Cc1cc(NC(=O)NC[C@@H](C(=O)[O-])C(C)C)ccc1-c1ccncc1 ZINC000653545707 954192140 /nfs/dbraw/zinc/19/21/40/954192140.db2.gz KAFHVVDQTFLKEY-QGZVFWFLSA-N -1 0 341.411 3.535 20 0 EHADRM C[C@@H](NC(=O)CCc1cccc(Cl)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655582883 954224450 /nfs/dbraw/zinc/22/44/50/954224450.db2.gz RRAMLDWZFIDPBP-BYCMXARLSA-N -1 0 337.847 3.524 20 0 EHADRM C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655585152 954227320 /nfs/dbraw/zinc/22/73/20/954227320.db2.gz SUPMXBDNMHTWAZ-JIMOISOXSA-N -1 0 343.345 3.571 20 0 EHADRM C[C@@H]1CN(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)[C@H]2CCCC[C@@H]12 ZINC001589377712 954278462 /nfs/dbraw/zinc/27/84/62/954278462.db2.gz RRSYCKLAOTUFTD-QXBKKUCYSA-N -1 0 342.439 3.520 20 0 EHADRM C[C@H](NC(=O)N1CC[C@@H](CC(C)(C)C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655899363 954279347 /nfs/dbraw/zinc/27/93/47/954279347.db2.gz FKPNDIJYBVSFQV-ZQDZILKHSA-N -1 0 338.492 3.590 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2cc3cc(Cl)ccc3s2)C[C@H]1C1CC1 ZINC000659163891 954312540 /nfs/dbraw/zinc/31/25/40/954312540.db2.gz YVSPILSDISURAM-QWHCGFSZSA-N -1 0 349.839 3.738 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)cc1Cl ZINC000659202971 954315147 /nfs/dbraw/zinc/31/51/47/954315147.db2.gz ZDFLJWQULXZRQR-UHFFFAOYSA-N -1 0 349.818 3.732 20 0 EHADRM O=C([O-])[C@]1(C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)CC=CCC1 ZINC001594869249 954334277 /nfs/dbraw/zinc/33/42/77/954334277.db2.gz KSUYHZKNRBDWJZ-DDUZABMNSA-N -1 0 333.815 3.513 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000659752242 954351834 /nfs/dbraw/zinc/35/18/34/954351834.db2.gz CRFZKVAUCZXWQO-GOSISDBHSA-N -1 0 341.407 3.667 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1 ZINC000659784023 954373742 /nfs/dbraw/zinc/37/37/42/954373742.db2.gz XEZGITJRNXAURZ-MEBBXXQBSA-N -1 0 349.839 3.596 20 0 EHADRM O=C([O-])C1(C(=O)Oc2ccc(Sc3ccncc3)cc2)CC=CC1 ZINC001594879085 954401463 /nfs/dbraw/zinc/40/14/63/954401463.db2.gz PVXGLCNKSFZJAM-UHFFFAOYSA-N -1 0 341.388 3.559 20 0 EHADRM Cc1nc(Cl)c(Cl)cc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000385730405 972011392 /nfs/dbraw/zinc/01/13/92/972011392.db2.gz YBKBOLLOUYWUPM-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM CC(C)[C@@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])C[C@@H](C)O[C@H]2C ZINC001589409249 954502965 /nfs/dbraw/zinc/50/29/65/954502965.db2.gz WVVQAKHIWQZGIH-BBBLOLIVSA-N -1 0 325.430 3.699 20 0 EHADRM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001602992579 972023611 /nfs/dbraw/zinc/02/36/11/972023611.db2.gz KPRPPEMQBASORC-IWAYRVGRSA-N -1 0 345.370 3.514 20 0 EHADRM O=C([O-])CCCCC(=O)NCCc1ccc(-c2ccccc2)cc1 ZINC000675001655 954580119 /nfs/dbraw/zinc/58/01/19/954580119.db2.gz FOVFBQBENVGVJG-UHFFFAOYSA-N -1 0 325.408 3.657 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl ZINC001589433280 954664696 /nfs/dbraw/zinc/66/46/96/954664696.db2.gz DRIVCXLTNPNDEE-NTYUQYKDSA-N -1 0 349.736 3.694 20 0 EHADRM CC(C)[C@]1(C)C[C@H]1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001602993280 972029885 /nfs/dbraw/zinc/02/98/85/972029885.db2.gz ILOGVCBWOWSCIB-BMIGLBTASA-N -1 0 328.771 3.733 20 0 EHADRM C[C@@H](CCC(C)(C)C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000386263220 972039610 /nfs/dbraw/zinc/03/96/10/972039610.db2.gz NCZCCKGJEBOKRU-JTQLQIEISA-N -1 0 347.864 3.531 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)Nc1cccnc1C(=O)[O-] ZINC001589463503 954873845 /nfs/dbraw/zinc/87/38/45/954873845.db2.gz FBCXMCPSZFTCEQ-NHAQELONSA-N -1 0 340.379 3.609 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C/C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001589463673 954877673 /nfs/dbraw/zinc/87/76/73/954877673.db2.gz ITSXNJLGUJIJHD-MMQHEFTJSA-N -1 0 340.379 3.609 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)N1CCC[C@](CC)(C(=O)[O-])C1 ZINC001589464316 954887140 /nfs/dbraw/zinc/88/71/40/954887140.db2.gz FWXAPFFATWDGAS-QRWLVFNGSA-N -1 0 347.455 3.682 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])n1 ZINC001589464789 954893533 /nfs/dbraw/zinc/89/35/33/954893533.db2.gz RMQXYKSMHJPLFG-UONOGXRCSA-N -1 0 349.431 3.510 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)Nc2ccc(C(F)F)cc2)C1 ZINC000386458277 972055011 /nfs/dbraw/zinc/05/50/11/972055011.db2.gz RWJAEKSGJDBJHG-LLVKDONJSA-N -1 0 326.343 3.733 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Oc1ccc(OC)c(C(F)(F)F)c1 ZINC001589484185 954991554 /nfs/dbraw/zinc/99/15/54/954991554.db2.gz VBBULDFVKHFNLL-UHFFFAOYSA-N -1 0 334.290 3.510 20 0 EHADRM CCC(CC)(CNC(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1)C(=O)[O-] ZINC001589489102 955004857 /nfs/dbraw/zinc/00/48/57/955004857.db2.gz XWODVIOUXRNUNK-NVXWUHKLSA-N -1 0 346.471 3.713 20 0 EHADRM CCC(CC)(CNC(=O)N1CC[C@@H](C(C)(C)C)C[C@H]1C)C(=O)[O-] ZINC001589489223 955006808 /nfs/dbraw/zinc/00/68/08/955006808.db2.gz OIMZILZWZVOOCZ-ZIAGYGMSSA-N -1 0 326.481 3.734 20 0 EHADRM CCC(CC)[C@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001589510757 955049377 /nfs/dbraw/zinc/04/93/77/955049377.db2.gz ZRZLTKADQFTVOY-VIFPVBQESA-N -1 0 325.430 3.530 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)NCc2cc(Cl)cc(Cl)c2)co1 ZINC001594967561 955071687 /nfs/dbraw/zinc/07/16/87/955071687.db2.gz AYCBZLMRKODYDC-UPHRSURJSA-N -1 0 340.162 3.614 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)NCc2ccc3sccc3c2)co1 ZINC001594968536 955080783 /nfs/dbraw/zinc/08/07/83/955080783.db2.gz PJIFUJKCGUTSPB-RQOWECAXSA-N -1 0 327.361 3.522 20 0 EHADRM CC[C@@H](CNC(=O)Nc1cccc(SC(F)(F)F)c1)C(=O)[O-] ZINC001589545952 955199496 /nfs/dbraw/zinc/19/94/96/955199496.db2.gz NAZXQWCDZVDYBG-QMMMGPOBSA-N -1 0 336.335 3.531 20 0 EHADRM CC(C)CC[C@@H]1CCCN1C(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001603021353 972080061 /nfs/dbraw/zinc/08/00/61/972080061.db2.gz ATCYGMIGXVBFOD-HOTGVXAUSA-N -1 0 326.481 3.734 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)NC[C@H](C(=O)[O-])C(C)C)c1 ZINC001603024356 972083300 /nfs/dbraw/zinc/08/33/00/972083300.db2.gz MWUVXIGYVXFUJO-INIZCTEOSA-N -1 0 336.432 3.590 20 0 EHADRM CC1(C)CCC(=CC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)CC1 ZINC000761946818 955313398 /nfs/dbraw/zinc/31/33/98/955313398.db2.gz MNLXITLMONUUKC-QGZVFWFLSA-N -1 0 327.424 3.724 20 0 EHADRM O=C([O-])CCCCNC(=O)CCn1c2ccccc2c2ccccc21 ZINC000773235029 955325863 /nfs/dbraw/zinc/32/58/63/955325863.db2.gz SOTGWVANQOFARG-UHFFFAOYSA-N -1 0 338.407 3.556 20 0 EHADRM CC(C)Oc1ccc(CC[C@H](C)NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc1 ZINC001589016222 955439464 /nfs/dbraw/zinc/43/94/64/955439464.db2.gz BYNWJYSOVSAGEO-YOEHRIQHSA-N -1 0 349.471 3.658 20 0 EHADRM C[C@H](CN(C)C(=O)c1cc(F)c(Oc2ccccc2)c(F)c1)C(=O)[O-] ZINC001589028906 955514031 /nfs/dbraw/zinc/51/40/31/955514031.db2.gz OKROXUQPIMXNFS-LLVKDONJSA-N -1 0 349.333 3.550 20 0 EHADRM C[C@@H](CCNC(=O)CCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000844246765 955660607 /nfs/dbraw/zinc/66/06/07/955660607.db2.gz RPQJTTXCCTVEQQ-NSHDSACASA-N -1 0 331.334 3.570 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1cccc(COc2ccccc2)c1 ZINC000844247552 955662195 /nfs/dbraw/zinc/66/21/95/955662195.db2.gz QJMPMEQILBZDCQ-KRWDZBQOSA-N -1 0 327.380 3.561 20 0 EHADRM C[C@@](CNC(=O)Nc1ccc2occc2c1)(C(=O)[O-])c1ccccc1 ZINC001589056494 955699414 /nfs/dbraw/zinc/69/94/14/955699414.db2.gz IPDMSDNQLRMJHQ-IBGZPJMESA-N -1 0 338.363 3.597 20 0 EHADRM C[C@](CNC(=O)c1cc2sccc2s1)(C(=O)[O-])c1ccccc1 ZINC001589063742 955735746 /nfs/dbraw/zinc/73/57/46/955735746.db2.gz CCFANBYDRKFCFH-QGZVFWFLSA-N -1 0 345.445 3.735 20 0 EHADRM C[C@@](CNC(=O)c1cc2sccc2s1)(C(=O)[O-])c1ccccc1 ZINC001589063741 955736686 /nfs/dbraw/zinc/73/66/86/955736686.db2.gz CCFANBYDRKFCFH-KRWDZBQOSA-N -1 0 345.445 3.735 20 0 EHADRM COc1cc2ccc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc2cc1OC ZINC000852957625 955886782 /nfs/dbraw/zinc/88/67/82/955886782.db2.gz ZCJHOSDXTHAXON-MRXNPFEDSA-N -1 0 345.395 3.542 20 0 EHADRM CC(F)(F)c1cc(F)ccc1NC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001589085498 955898190 /nfs/dbraw/zinc/89/81/90/955898190.db2.gz ZLYLKZHSEYFGCO-JTQLQIEISA-N -1 0 344.333 3.656 20 0 EHADRM C[C@@H](NC(=O)C1(C(=O)[O-])CCC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC001589089645 955924303 /nfs/dbraw/zinc/92/43/03/955924303.db2.gz IZNHBGYQXWWLKL-GHMZBOCLSA-N -1 0 343.345 3.569 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)/C=C/c1ccsc1C(F)(F)F ZINC000864115868 955943369 /nfs/dbraw/zinc/94/33/69/955943369.db2.gz HMBGSHKYZGUVAA-ONEGZZNKSA-N -1 0 335.347 3.540 20 0 EHADRM O=C([O-])c1sccc1NC(=O)c1cc(Cl)c2ccccc2n1 ZINC000387863397 972144540 /nfs/dbraw/zinc/14/45/40/972144540.db2.gz LZBGTMMQOMNQFE-UHFFFAOYSA-N -1 0 332.768 3.900 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1ccc(F)c(C(F)F)c1)C(=O)[O-] ZINC000864606242 956007427 /nfs/dbraw/zinc/00/74/27/956007427.db2.gz BQWSJASXPBYCOE-VIFPVBQESA-N -1 0 332.322 3.632 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N(CC1CC1)c1cccc(C(F)(F)F)c1 ZINC000872740836 956063802 /nfs/dbraw/zinc/06/38/02/956063802.db2.gz PBUYQFXHAVLVJY-UONOGXRCSA-N -1 0 341.329 3.559 20 0 EHADRM C[C@@](NC(=O)c1cc2cc(Cl)sc2[nH]1)(C(=O)[O-])c1ccccc1 ZINC001589115291 956090789 /nfs/dbraw/zinc/09/07/89/956090789.db2.gz QQWINCCJZZXARG-INIZCTEOSA-N -1 0 348.811 3.613 20 0 EHADRM CC[C@H]1c2ccsc2CCN1C(=O)NCc1ccccc1C(=O)[O-] ZINC000874409415 956180930 /nfs/dbraw/zinc/18/09/30/956180930.db2.gz KGUYTNZKHPQOML-HNNXBMFYSA-N -1 0 344.436 3.665 20 0 EHADRM CCCOc1ccc(NC(=O)N2CC[C@@H](C(=O)[O-])C2)cc1C(C)C ZINC000887394578 956259482 /nfs/dbraw/zinc/25/94/82/956259482.db2.gz WEIUSIZBQNRMLU-CYBMUJFWSA-N -1 0 334.416 3.537 20 0 EHADRM CC(C)c1ccccc1OCCC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001603106041 972179051 /nfs/dbraw/zinc/17/90/51/972179051.db2.gz SBUVFVUDYJQFGP-UHFFFAOYSA-N -1 0 341.407 3.594 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N2CCCCC[C@H]2c2ccncc2)o1 ZINC000901566362 956341470 /nfs/dbraw/zinc/34/14/70/956341470.db2.gz CRLGZXJPOIJATF-BVBGJJFLSA-N -1 0 340.379 3.530 20 0 EHADRM C[C@H](OC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c1ccc(OC(F)F)cc1 ZINC001589154386 956362457 /nfs/dbraw/zinc/36/24/57/956362457.db2.gz SVDCFRIULWYCFQ-JOYOIKCWSA-N -1 0 330.327 3.639 20 0 EHADRM C[C@H](SCC(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC001589169013 956452226 /nfs/dbraw/zinc/45/22/26/956452226.db2.gz AYTDPHCMPLNGON-LBPRGKRZSA-N -1 0 331.393 3.624 20 0 EHADRM C[C@H](SCC(=O)N[C@@H](c1ccccc1)C1CCCCC1)C(=O)[O-] ZINC001589169805 956465395 /nfs/dbraw/zinc/46/53/95/956465395.db2.gz OFEPHZPEICMQOV-GUYCJALGSA-N -1 0 335.469 3.631 20 0 EHADRM CCc1nc(C)c([C@H](C)N(C)C(=O)c2coc(/C=C\C(=O)[O-])c2)s1 ZINC000901922405 956545044 /nfs/dbraw/zinc/54/50/44/956545044.db2.gz MTVWVRAXFWFWIC-ZADCQDASSA-N -1 0 348.424 3.538 20 0 EHADRM Nc1c(Cl)cc(NC(=O)c2coc(/C=C\C(=O)[O-])c2)cc1Cl ZINC001594662874 956546970 /nfs/dbraw/zinc/54/69/70/956546970.db2.gz HDVYYZDKXUONJP-UPHRSURJSA-N -1 0 341.150 3.519 20 0 EHADRM CC(C)c1oc(-c2ccccc2)nc1-c1nc([C@@H](C)C(=O)[O-])no1 ZINC001603115029 972194112 /nfs/dbraw/zinc/19/41/12/972194112.db2.gz LRXJTASUMFWOBJ-SNVBAGLBSA-N -1 0 327.340 3.703 20 0 EHADRM Cc1ccccc1[C@H]1CCCN1C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC000901980188 956586377 /nfs/dbraw/zinc/58/63/77/956586377.db2.gz SBAMBKCDFAJRMA-XZVRFQMRSA-N -1 0 325.364 3.663 20 0 EHADRM O=C(/C=C/c1ccc(C(=O)[O-])o1)Nc1ccc2c(c1)C(=O)CCCC2 ZINC001594673170 956633824 /nfs/dbraw/zinc/63/38/24/956633824.db2.gz DKJLGSNDHGPZIL-CSKARUKUSA-N -1 0 339.347 3.539 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1cccc(C(F)F)c1F)CC(=O)[O-] ZINC000902083603 956646320 /nfs/dbraw/zinc/64/63/20/956646320.db2.gz ODHDIXILBOYQDF-JTQLQIEISA-N -1 0 331.334 3.630 20 0 EHADRM O=C([O-])c1ccc(NC(=O)/C=C/c2ccc(F)c3ccccc23)nc1 ZINC001594675438 956655728 /nfs/dbraw/zinc/65/57/28/956655728.db2.gz VUVWVWGBRJDMRF-JXMROGBWSA-N -1 0 336.322 3.724 20 0 EHADRM C[C@H](C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1)c1ccc2ccccc2c1 ZINC000902170968 956673094 /nfs/dbraw/zinc/67/30/94/956673094.db2.gz WBOSCOIKCQNYIC-QWQRMKEZSA-N -1 0 325.408 3.513 20 0 EHADRM CC[C@@H](CC(=O)NCc1ccccc1C(=O)[O-])c1ccc(OC)cc1 ZINC000902367906 956710887 /nfs/dbraw/zinc/71/08/87/956710887.db2.gz NIQDNRRKJBIYFL-AWEZNQCLSA-N -1 0 341.407 3.594 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)CCc1ccc(-c2ccccc2)o1 ZINC001594687999 956723207 /nfs/dbraw/zinc/72/32/07/956723207.db2.gz XWNFEFRMHRZTOO-UHFFFAOYSA-N -1 0 336.347 3.611 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)O[C@@H]1CCc2c1cccc2OCC1CC1 ZINC001589217676 956738007 /nfs/dbraw/zinc/73/80/07/956738007.db2.gz KVZJFIBTFYMODD-OXQOHEQNSA-N -1 0 344.407 3.507 20 0 EHADRM CC1(C)CCN(C(=O)Nc2cc(Cl)ccc2C(=O)[O-])CCS1 ZINC000389172436 972210530 /nfs/dbraw/zinc/21/05/30/972210530.db2.gz OGPNLXUVACALOS-UHFFFAOYSA-N -1 0 342.848 3.788 20 0 EHADRM CC1(C)C[C@@]1(NC(=O)NCc1ccccc1C(=O)[O-])c1ccccc1 ZINC001589220509 956770750 /nfs/dbraw/zinc/77/07/50/956770750.db2.gz YOESYWMIQFQSTE-HXUWFJFHSA-N -1 0 338.407 3.509 20 0 EHADRM C[C@@H]1CCN(C(=O)c2coc(/C=C/C(=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000902730757 956783460 /nfs/dbraw/zinc/78/34/60/956783460.db2.gz GHFKPGSGSHVLNI-XUOUYXDASA-N -1 0 325.364 3.601 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CO[C@@H]2CCCc3ccccc32)c(F)c1 ZINC001594701881 956807502 /nfs/dbraw/zinc/80/75/02/956807502.db2.gz UERNUGBGYOSEMD-QGZVFWFLSA-N -1 0 343.354 3.557 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccc(C(=O)[O-])cc2F)[C@H]1c1ccco1 ZINC001589229799 956814673 /nfs/dbraw/zinc/81/46/73/956814673.db2.gz IEFKGHVQDIMING-AWEZNQCLSA-N -1 0 332.331 3.732 20 0 EHADRM O=C([O-])CC[C@H]1Cc2ccccc2N(C(=O)[C@@H]2CC23CCCC3)C1 ZINC000902826744 956817832 /nfs/dbraw/zinc/81/78/32/956817832.db2.gz VJLQQSUXNVILOW-HOCLYGCPSA-N -1 0 327.424 3.637 20 0 EHADRM COCCN(C(=O)Nc1ccccc1C(=O)[O-])[C@@H](C)c1ccccc1 ZINC001593995208 956880843 /nfs/dbraw/zinc/88/08/43/956880843.db2.gz JFLSXFPUQFEIQF-AWEZNQCLSA-N -1 0 342.395 3.626 20 0 EHADRM COc1ccccc1-c1nnc(S[C@H](C(=O)[O-])c2ccccc2)o1 ZINC000012177332 956901370 /nfs/dbraw/zinc/90/13/70/956901370.db2.gz UUEFUNXQOKJQRQ-AWEZNQCLSA-N -1 0 342.376 3.663 20 0 EHADRM CC1(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)CCCCC1 ZINC001589245165 956905132 /nfs/dbraw/zinc/90/51/32/956905132.db2.gz WHEMCFBUOUILJY-HOTGVXAUSA-N -1 0 330.428 3.569 20 0 EHADRM CCN(C(=O)COc1cccc(C(=O)[O-])c1)c1cccc2ccccc21 ZINC000013079969 956931126 /nfs/dbraw/zinc/93/11/26/956931126.db2.gz BSMFGZPPUUIYPG-UHFFFAOYSA-N -1 0 349.386 3.970 20 0 EHADRM O=C([O-])c1ccc(OCC(=O)Nc2ccc3c(c2)CCC3)c(Cl)c1 ZINC000013085082 956935665 /nfs/dbraw/zinc/93/56/65/956935665.db2.gz AREVBFHJPCWQHT-UHFFFAOYSA-N -1 0 345.782 3.544 20 0 EHADRM C[C@]1(Cc2cccs2)CCCN1C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001589247315 956942848 /nfs/dbraw/zinc/94/28/48/956942848.db2.gz LORSGUCBZDLYKE-JHTBKMLMSA-N -1 0 345.420 3.676 20 0 EHADRM CSCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000013177521 956958308 /nfs/dbraw/zinc/95/83/08/956958308.db2.gz QWHMAFXQBYRWCD-MRXNPFEDSA-N -1 0 347.411 3.635 20 0 EHADRM CC1(c2ccccc2)CCC(NC(=O)C2(CC(=O)[O-])CCC2)CC1 ZINC001589253185 956971795 /nfs/dbraw/zinc/97/17/95/956971795.db2.gz LMKMUYKDKNTJMA-UHFFFAOYSA-N -1 0 329.440 3.648 20 0 EHADRM CCCn1c(C)cc(C(=O)CSc2ncccc2C(=O)[O-])c1C ZINC000013188984 956975124 /nfs/dbraw/zinc/97/51/24/956975124.db2.gz UBDNCULGKUDAKY-UHFFFAOYSA-N -1 0 332.425 3.583 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)C(C)(C)C ZINC000908118343 956983442 /nfs/dbraw/zinc/98/34/42/956983442.db2.gz AQWCQSXEYUJUAP-SECOEOQKSA-N -1 0 342.395 3.598 20 0 EHADRM CC1=C[C@H](C)CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)C1 ZINC001589255965 956987005 /nfs/dbraw/zinc/98/70/05/956987005.db2.gz AITAPTNZDCQCLQ-QMMMGPOBSA-N -1 0 326.755 3.607 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OS(=O)(=O)c1ccc2ccccc2c1 ZINC000013269716 957005360 /nfs/dbraw/zinc/00/53/60/957005360.db2.gz NSQNWXQGMPJXED-UHFFFAOYSA-N -1 0 342.372 3.614 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)[C@H](c2ccncc2)C2CCCC2)c1 ZINC000909333248 957013197 /nfs/dbraw/zinc/01/31/97/957013197.db2.gz PXKHKCXARNMMCM-IBGZPJMESA-N -1 0 338.407 3.621 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)c1csc(C2CCCCC2)n1 ZINC000909498413 957024950 /nfs/dbraw/zinc/02/49/50/957024950.db2.gz SAOCAGFFXYVIBL-CYBMUJFWSA-N -1 0 336.457 3.660 20 0 EHADRM Cc1cccc(OCCCC(=O)Nc2ccc(C(=O)[O-])cc2C)c1 ZINC000013391177 957046505 /nfs/dbraw/zinc/04/65/05/957046505.db2.gz ISMUMWYJOLUNMK-UHFFFAOYSA-N -1 0 327.380 3.799 20 0 EHADRM CC(C)Cn1ncc(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)c1C(C)C ZINC000910649275 957047536 /nfs/dbraw/zinc/04/75/36/957047536.db2.gz FKIIIWKVCJHSCR-VURMDHGXSA-N -1 0 345.399 3.606 20 0 EHADRM CCN(C(=O)COc1ccc(C(=O)[O-])cc1)c1cccc2ccccc21 ZINC000013418623 957058454 /nfs/dbraw/zinc/05/84/54/957058454.db2.gz WJRAIEORFRUFNM-UHFFFAOYSA-N -1 0 349.386 3.970 20 0 EHADRM Cc1ccc(C)c(SCC(=O)N2CCc3cc(C(=O)[O-])ccc32)c1 ZINC000013449507 957087799 /nfs/dbraw/zinc/08/77/99/957087799.db2.gz JAAYGJKCQGYZLT-UHFFFAOYSA-N -1 0 341.432 3.683 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(F)cc(Br)c2)s1 ZINC000035424809 957210136 /nfs/dbraw/zinc/21/01/36/957210136.db2.gz MYGYFELQWCGHIM-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM Cc1cc(Br)ccc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000036829307 957238951 /nfs/dbraw/zinc/23/89/51/957238951.db2.gz FSMCMXHAOUNVPW-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM O=C([O-])c1ncccc1OCCOc1ccc(Cl)cc1Cl ZINC000048764448 957460038 /nfs/dbraw/zinc/46/00/38/957460038.db2.gz NBAMDRZAXOTNRX-UHFFFAOYSA-N -1 0 328.151 3.544 20 0 EHADRM Cc1ccc(NC(=O)NC[C@H]2CCCCC2(F)F)cc1C(=O)[O-] ZINC000390205372 972269448 /nfs/dbraw/zinc/26/94/48/972269448.db2.gz WLDLORUYMCQYJM-LLVKDONJSA-N -1 0 326.343 3.640 20 0 EHADRM C[C@@H]1CCc2c(C(=O)Nc3ccc(C(=O)[O-])c(O)c3)csc2C1 ZINC000390237162 972271817 /nfs/dbraw/zinc/27/18/17/972271817.db2.gz AZODEXKLBTXXJO-SECBINFHSA-N -1 0 331.393 3.529 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)Oc1cccc(C(=O)[O-])c1 ZINC000066144121 957642107 /nfs/dbraw/zinc/64/21/07/957642107.db2.gz TZOOZGHYNKUHRQ-ZDUSSCGKSA-N -1 0 328.364 3.883 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N(Cc1cccs1)c1ccc(F)cc1 ZINC001574761993 957739693 /nfs/dbraw/zinc/73/96/93/957739693.db2.gz YYLGGWKYDBALOD-HUUCEWRRSA-N -1 0 333.384 3.531 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NC2(c3ccc(F)cc3)CCC2)c1 ZINC001594285024 957770246 /nfs/dbraw/zinc/77/02/46/957770246.db2.gz DPQSIALJMPYDME-UHFFFAOYSA-N -1 0 327.355 3.642 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCO3)c1 ZINC001594286489 957783834 /nfs/dbraw/zinc/78/38/34/957783834.db2.gz QFWUZHMTDOCCID-ZDUSSCGKSA-N -1 0 339.391 3.509 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2cnc(C(F)(F)F)cc2C)c1 ZINC001594289204 957810171 /nfs/dbraw/zinc/81/01/71/957810171.db2.gz QTEFMGJOCQOXJC-UHFFFAOYSA-N -1 0 338.285 3.668 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)ccn1 ZINC001574791178 957811331 /nfs/dbraw/zinc/81/13/31/957811331.db2.gz NEKWQQXQNHFFQE-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM Cc1cc(C)c2c(c1)CCCN2C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001594294421 957860047 /nfs/dbraw/zinc/86/00/47/957860047.db2.gz MCRPBVHCQKTZKF-WAYWQWQTSA-N -1 0 325.364 3.587 20 0 EHADRM Cc1cc(C)c2c(c1)CN(C(=O)Nc1ccccc1CC(=O)[O-])CC2 ZINC001594294410 957860592 /nfs/dbraw/zinc/86/05/92/957860592.db2.gz LBIUILMWHHSEHW-UHFFFAOYSA-N -1 0 338.407 3.521 20 0 EHADRM Cc1cc(NC(=O)c2cccc(OC(C)(C)C)n2)ccc1C(=O)[O-] ZINC001594325477 958166327 /nfs/dbraw/zinc/16/63/27/958166327.db2.gz GYTYFPLRPMTSLB-UHFFFAOYSA-N -1 0 328.368 3.518 20 0 EHADRM C[C@@H](NC(=O)[C@H](C(=O)[O-])C1CC1)c1cccc(SC(F)(F)F)c1 ZINC001603211265 972326477 /nfs/dbraw/zinc/32/64/77/972326477.db2.gz WJMCQWRRRAJNBV-PRHODGIISA-N -1 0 347.358 3.587 20 0 EHADRM Cc1ccc(-c2cc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])on2)cc1 ZINC001594332665 958242013 /nfs/dbraw/zinc/24/20/13/958242013.db2.gz AKCDUYCCQOJSEI-AWEZNQCLSA-N -1 0 344.411 3.659 20 0 EHADRM Cc1cc2scc(CC(=O)Nc3ccc(C(=O)[O-])cn3)c2s1 ZINC001594333098 958243841 /nfs/dbraw/zinc/24/38/41/958243841.db2.gz LVPLSMWMACBKDI-UHFFFAOYSA-N -1 0 332.406 3.546 20 0 EHADRM Cc1[nH]nc(NC(=O)Cc2ccccc2C(=O)[O-])c1-c1ccc(C)cc1 ZINC001594333582 958246905 /nfs/dbraw/zinc/24/69/05/958246905.db2.gz ZAOSQDGRRWTFLN-UHFFFAOYSA-N -1 0 349.390 3.573 20 0 EHADRM COc1ccc([C@@H](C)CCNC(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC001594081686 958272446 /nfs/dbraw/zinc/27/24/46/958272446.db2.gz PYLORJNAROHNCQ-ZDUSSCGKSA-N -1 0 342.395 3.709 20 0 EHADRM COc1ccc(C)cc1[C@H](C)OC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001594084042 958296965 /nfs/dbraw/zinc/29/69/65/958296965.db2.gz IOGARUSGSILKHL-PZBABLGHSA-N -1 0 330.336 3.612 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)c1cc2c(s1)CCCCCC2 ZINC000391413811 972335352 /nfs/dbraw/zinc/33/53/52/972335352.db2.gz RRALVAJJVDWWPQ-UHFFFAOYSA-N -1 0 330.409 3.753 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2c(C)cccc2C(=O)[O-])s1 ZINC001594343240 958314898 /nfs/dbraw/zinc/31/48/98/958314898.db2.gz XABLJALCWBZMFY-UHFFFAOYSA-N -1 0 331.393 3.665 20 0 EHADRM Cc1ccc(Cl)cc1CNC(=O)Nc1ccccc1CC(=O)[O-] ZINC001594363168 958472128 /nfs/dbraw/zinc/47/21/28/958472128.db2.gz KAQWSJXSDDSOMW-UHFFFAOYSA-N -1 0 332.787 3.597 20 0 EHADRM COc1ccc(OC)c2sc(NCc3ccccc3C(=O)[O-])nc21 ZINC001594109738 958503415 /nfs/dbraw/zinc/50/34/15/958503415.db2.gz WQWYJMNDBWFVJJ-UHFFFAOYSA-N -1 0 344.392 3.624 20 0 EHADRM Cc1ccc(OC(=O)c2ccc(C(=O)[O-])cc2)cc1Br ZINC001594374041 958572951 /nfs/dbraw/zinc/57/29/51/958572951.db2.gz CRVVUQOANLTZBO-UHFFFAOYSA-N -1 0 335.153 3.675 20 0 EHADRM COc1ccc2cc(COC(=O)[C@@]3(C(=O)[O-])CC=CCC3)ccc2c1 ZINC001594118225 958577589 /nfs/dbraw/zinc/57/75/89/958577589.db2.gz DYTQSHKMCCSZOM-FQEVSTJZSA-N -1 0 340.375 3.703 20 0 EHADRM Cc1ccc(OCCCC(=O)N2CCCC[C@H]2CCC(=O)[O-])c(C)c1 ZINC001594375805 958585697 /nfs/dbraw/zinc/58/56/97/958585697.db2.gz NPHYRJBFXNLEEJ-KRWDZBQOSA-N -1 0 347.455 3.708 20 0 EHADRM Cc1ccc2c(ccc(C)c2C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)c1 ZINC001594381581 958631225 /nfs/dbraw/zinc/63/12/25/958631225.db2.gz NWIORDBJOHZMDH-XJKSGUPXSA-N -1 0 325.408 3.639 20 0 EHADRM C/C(=C/c1ccccc1)CN(C)C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001588489248 958643189 /nfs/dbraw/zinc/64/31/89/958643189.db2.gz ZEXHLUMGYMGIGM-RBDUQRJVSA-N -1 0 325.364 3.553 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)c1csc(Br)c1 ZINC000128222020 958646764 /nfs/dbraw/zinc/64/67/64/958646764.db2.gz LJRYKYPDAXHTKK-UHFFFAOYSA-N -1 0 346.227 3.831 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001573374365 958647833 /nfs/dbraw/zinc/64/78/33/958647833.db2.gz IFEQWKWBXPKMEN-MUWHJKNJSA-N -1 0 344.207 3.573 20 0 EHADRM COc1cccc(NC(=O)[C@@H](S[C@H](C)C(=O)[O-])c2ccccc2)c1 ZINC001594131224 958670551 /nfs/dbraw/zinc/67/05/51/958670551.db2.gz SSGYEELEWQSFKU-WBMJQRKESA-N -1 0 345.420 3.581 20 0 EHADRM Cc1cccc(-c2cncc(C(=O)NCc3ccccc3C(=O)[O-])c2)c1 ZINC001594386259 958672884 /nfs/dbraw/zinc/67/28/84/958672884.db2.gz UQALDTVYRPSJIL-UHFFFAOYSA-N -1 0 346.386 3.685 20 0 EHADRM COc1ccc(C[C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000128679599 958676916 /nfs/dbraw/zinc/67/69/16/958676916.db2.gz QBSYGBNPFAHVLY-ZDUSSCGKSA-N -1 0 327.380 3.519 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)/C=C/c1ccc2ccccc2n1)C(=O)[O-] ZINC001573394192 958708407 /nfs/dbraw/zinc/70/84/07/958708407.db2.gz BHDXBBAMCGCXOM-SXSDINLZSA-N -1 0 340.423 3.644 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)cc1 ZINC000132340974 958783297 /nfs/dbraw/zinc/78/32/97/958783297.db2.gz BUGPQUYTYDBKAU-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM Cc1cc(Br)cc(C)c1NC(=O)c1ccc(C(=O)[O-])o1 ZINC000132530371 958787882 /nfs/dbraw/zinc/78/78/82/958787882.db2.gz QQTKICNZXYLXEY-UHFFFAOYSA-N -1 0 338.157 3.609 20 0 EHADRM O=C([O-])c1cc(NC(=O)C2(c3ccccc3)CCC2)c(F)cc1F ZINC000391843972 972381271 /nfs/dbraw/zinc/38/12/71/972381271.db2.gz ODYFBFWACXGTSH-UHFFFAOYSA-N -1 0 331.318 3.723 20 0 EHADRM Cc1cccc2c(C(=O)N3CCc4ccccc4[C@@H]3C(=O)[O-])coc21 ZINC001594411212 958949099 /nfs/dbraw/zinc/94/90/99/958949099.db2.gz NFOGLGFUPHXOAN-QGZVFWFLSA-N -1 0 335.359 3.565 20 0 EHADRM CC(C)[C@H](C(=O)Nc1ccc(O)c(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001573484369 958984472 /nfs/dbraw/zinc/98/44/72/958984472.db2.gz HPXKGHUAPAEBJW-INIZCTEOSA-N -1 0 331.343 3.608 20 0 EHADRM Cc1ccccc1C(F)(F)CNC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001594415568 958995597 /nfs/dbraw/zinc/99/55/97/958995597.db2.gz NVAHCMIHMLMPET-UHFFFAOYSA-N -1 0 334.322 3.607 20 0 EHADRM CC(C)[C@@H](CNC(=O)[C@]1(C(=O)[O-])CC1(C)C)c1ccc(Cl)cc1 ZINC001573489210 958995424 /nfs/dbraw/zinc/99/54/24/958995424.db2.gz BDVVFEYYFWBWBV-KDOFPFPSSA-N -1 0 337.847 3.697 20 0 EHADRM CCc1cc(Br)ccc1NC(=O)CCCCC(=O)[O-] ZINC000148059642 959007619 /nfs/dbraw/zinc/00/76/19/959007619.db2.gz ZUERIOFKDBIOFP-UHFFFAOYSA-N -1 0 328.206 3.595 20 0 EHADRM Cc1ccccc1C1(CNC(=O)N(C)CCCC(=O)[O-])CCCCC1 ZINC001594416901 959013103 /nfs/dbraw/zinc/01/31/03/959013103.db2.gz NQVVFSORXQRJBG-UHFFFAOYSA-N -1 0 346.471 3.703 20 0 EHADRM Cc1ccccc1C[C@H]1CCCN1C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001594417454 959018124 /nfs/dbraw/zinc/01/81/24/959018124.db2.gz JNBJHJSDYUKRPV-HGPCXVNDSA-N -1 0 339.391 3.533 20 0 EHADRM COc1cc(Cl)ccc1C(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC000391979346 972396706 /nfs/dbraw/zinc/39/67/06/972396706.db2.gz MNESVKKTZUYCQI-UHFFFAOYSA-N -1 0 345.782 3.640 20 0 EHADRM Cc1cccnc1Oc1ccc(C(=O)Nc2cccnc2C(=O)[O-])cc1 ZINC001594421144 959071178 /nfs/dbraw/zinc/07/11/78/959071178.db2.gz INCODKRZPYYZBC-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM CC(C)C[C@H](CNC(=O)N(C)C[C@@H](C)C1CCCCC1)C(=O)[O-] ZINC001573509389 959080400 /nfs/dbraw/zinc/08/04/00/959080400.db2.gz FGWJQVJSOQSMMR-GDBMZVCRSA-N -1 0 326.481 3.591 20 0 EHADRM CC(C)C[C@H](CNC(=O)N[C@@H](C)c1ccc(Cl)c(F)c1)C(=O)[O-] ZINC001573511245 959097100 /nfs/dbraw/zinc/09/71/00/959097100.db2.gz SPFAOXXILBCXEB-CMPLNLGQSA-N -1 0 344.814 3.586 20 0 EHADRM CC(C)CCOc1ccc(C(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC001573518373 959119516 /nfs/dbraw/zinc/11/95/16/959119516.db2.gz XCSIIUHFRIFCAZ-UHFFFAOYSA-N -1 0 341.407 3.740 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)Nc1cccnc1C(=O)[O-] ZINC001594187875 959137657 /nfs/dbraw/zinc/13/76/57/959137657.db2.gz BWAOHYQNFBSFRU-UHFFFAOYSA-N -1 0 342.376 3.641 20 0 EHADRM CSc1ccc(/C=C/C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)s1 ZINC001594195277 959191768 /nfs/dbraw/zinc/19/17/68/959191768.db2.gz WYZUKRWDNPBXGU-SYJIQKIWSA-N -1 0 347.461 3.599 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)N2CCC[C@](C)(C(=O)[O-])C2)c1 ZINC000392112486 972410930 /nfs/dbraw/zinc/41/09/30/972410930.db2.gz ANDFMHNFGOPROU-ACJLOTCBSA-N -1 0 334.416 3.583 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)C(F)(F)c1ccc(C(C)(C)C)cc1)C1CC1 ZINC001588582139 959267354 /nfs/dbraw/zinc/26/73/54/959267354.db2.gz HTDYLGRNDABYIG-LLVKDONJSA-N -1 0 339.382 3.540 20 0 EHADRM CC(C)[C@@H](NC(=O)Nc1ccc(-c2ccccc2)cc1F)C(=O)[O-] ZINC001573558918 959267882 /nfs/dbraw/zinc/26/78/82/959267882.db2.gz YOODFLUAFRVGJY-MRXNPFEDSA-N -1 0 330.359 3.723 20 0 EHADRM CC(C)c1ccccc1OCCC(=O)NCc1ccccc1C(=O)[O-] ZINC001573564345 959279914 /nfs/dbraw/zinc/27/99/14/959279914.db2.gz GCPIBIHBWUGJEJ-UHFFFAOYSA-N -1 0 341.407 3.594 20 0 EHADRM CC(C)c1ccc(OCC(=O)OCc2ccc(C(=O)[O-])cc2)cc1 ZINC001573567368 959294304 /nfs/dbraw/zinc/29/43/04/959294304.db2.gz VHLPIQHGLCEIOS-UHFFFAOYSA-N -1 0 328.364 3.630 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)O[C@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC001588586976 959319599 /nfs/dbraw/zinc/31/95/99/959319599.db2.gz UZKQMAANXPUJJZ-IMTBSYHQSA-N -1 0 344.207 3.573 20 0 EHADRM Cc1nc(-c2ccccc2)sc1NC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC001594445765 959325409 /nfs/dbraw/zinc/32/54/09/959325409.db2.gz FFSKELGZVNTLNC-CYBMUJFWSA-N -1 0 347.440 3.739 20 0 EHADRM Cc1nc(-c2ccccc2)sc1COC(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC001594446126 959329138 /nfs/dbraw/zinc/32/91/38/959329138.db2.gz TXVSUPBHEZKXIL-SFHVURJKSA-N -1 0 345.420 3.663 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@H](C)[C@H]1C(=O)[O-])Cc1ccc(Cl)cc1 ZINC001573576991 959335243 /nfs/dbraw/zinc/33/52/43/959335243.db2.gz SADVRRZGJJHNMB-DCGLDWPTSA-N -1 0 337.847 3.620 20 0 EHADRM Cc1nc(CC(C)C)c(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])s1 ZINC001594451334 959372098 /nfs/dbraw/zinc/37/20/98/959372098.db2.gz SDFXZLXDQDZQCS-GFCCVEGCSA-N -1 0 340.489 3.659 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)c1ccc(SCc2ccccc2)cc1 ZINC000178073537 959424934 /nfs/dbraw/zinc/42/49/34/959424934.db2.gz OSFSRXIDFZCQHW-UHFFFAOYSA-N -1 0 343.448 3.914 20 0 EHADRM CCOc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000183969386 959460844 /nfs/dbraw/zinc/46/08/44/959460844.db2.gz UZFZSQKEYCISOQ-RYRKJORJSA-N -1 0 345.439 3.640 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)N[C@@H](C)c1cc(Cl)cc(Cl)c1F ZINC001573611145 959480550 /nfs/dbraw/zinc/48/05/50/959480550.db2.gz PBDICFWOGGZQNH-CPCISQLKSA-N -1 0 336.190 3.667 20 0 EHADRM Cc1nc2ccc(COC(=O)[C@@H](C(=O)[O-])C3CCCC3)cc2s1 ZINC001594464262 959493612 /nfs/dbraw/zinc/49/36/12/959493612.db2.gz OTUKYYVNRJBJHE-OAHLLOKOSA-N -1 0 333.409 3.539 20 0 EHADRM Cc1ccc(OCC(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c(C)c1 ZINC000191400859 959560200 /nfs/dbraw/zinc/56/02/00/959560200.db2.gz WQVDYJNTVVTWHS-OAHLLOKOSA-N -1 0 341.407 3.584 20 0 EHADRM CCOc1ccc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1 ZINC000191438478 959568277 /nfs/dbraw/zinc/56/82/77/959568277.db2.gz WYHLZSIBOBPLCD-ZDUSSCGKSA-N -1 0 327.380 3.601 20 0 EHADRM C[C@@H](NC(=O)c1cc(C(=O)[O-])co1)c1ccc(-c2ccncc2)cc1 ZINC000191626509 959587000 /nfs/dbraw/zinc/58/70/00/959587000.db2.gz HRGAHQOVIHYQFR-GFCCVEGCSA-N -1 0 336.347 3.531 20 0 EHADRM O=C([O-])c1coc(C(=O)Nc2ccc(-n3ncc4ccccc43)cc2)c1 ZINC000191632190 959587465 /nfs/dbraw/zinc/58/74/65/959587465.db2.gz VNIAPKGGMFPOFC-UHFFFAOYSA-N -1 0 347.330 3.569 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC000192845579 959592159 /nfs/dbraw/zinc/59/21/59/959592159.db2.gz HSOMNJQWMJOMFW-ZDUSSCGKSA-N -1 0 347.436 3.723 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC000192845570 959592626 /nfs/dbraw/zinc/59/26/26/959592626.db2.gz HSOMNJQWMJOMFW-CYBMUJFWSA-N -1 0 347.436 3.723 20 0 EHADRM C[C@@H](NC(=O)[C@@H](C)SCCC(=O)[O-])c1ccc2ccccc2c1 ZINC001573639904 959604926 /nfs/dbraw/zinc/60/49/26/959604926.db2.gz CHLXLGJBRQHHFB-CHWSQXEVSA-N -1 0 331.437 3.613 20 0 EHADRM Cc1cc(C)cc(C2=CCN(C(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)CC2)c1 ZINC000193022317 959607135 /nfs/dbraw/zinc/60/71/35/959607135.db2.gz SYDWJVLYAZIWDW-ZWKOTPCHSA-N -1 0 341.451 3.810 20 0 EHADRM CCC[C@@H](C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000193066954 959609877 /nfs/dbraw/zinc/60/98/77/959609877.db2.gz IQWPGTFPFQWYJK-NQIIRXRSSA-N -1 0 339.435 3.729 20 0 EHADRM Cc1c(C(=O)Nc2ccccc2C(=O)[O-])cnn1C1CCCCC1 ZINC001594258812 959672838 /nfs/dbraw/zinc/67/28/38/959672838.db2.gz FRMNJXSMXTWLFE-UHFFFAOYSA-N -1 0 327.384 3.647 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OCCOc1c(C)cccc1C ZINC000209988465 959674051 /nfs/dbraw/zinc/67/40/51/959674051.db2.gz WVMRMXLHLKNLMX-NTMALXAHSA-N -1 0 342.391 3.868 20 0 EHADRM CC1(C)C=Cc2cccc(NC(=O)N3CCC[C@H](CC(=O)[O-])C3)c2O1 ZINC001573665360 959690104 /nfs/dbraw/zinc/69/01/04/959690104.db2.gz VVTZPLVDFLKZAX-CYBMUJFWSA-N -1 0 344.411 3.589 20 0 EHADRM CC1(C)CCC(C)(C)c2cc(C(=O)Nc3n[nH]cc3C(=O)[O-])ccc21 ZINC001573667283 959701139 /nfs/dbraw/zinc/70/11/39/959701139.db2.gz FCODHCNWXUZWIX-UHFFFAOYSA-N -1 0 341.411 3.709 20 0 EHADRM CC[C@@H](CSC)[N@H+](C)Cc1ccc(C(=O)[O-])cc1Br ZINC000226736878 959899783 /nfs/dbraw/zinc/89/97/83/959899783.db2.gz RQWUEDCDCJWEJZ-LBPRGKRZSA-N -1 0 346.290 3.721 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2c(F)cccc2Br)s1 ZINC000232137139 960246477 /nfs/dbraw/zinc/24/64/77/960246477.db2.gz NCXAYLJKCRRQBT-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM C[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC000235198739 960396966 /nfs/dbraw/zinc/39/69/66/960396966.db2.gz ZUSWBVMLEAMIBH-KXUCPTDWSA-N -1 0 330.211 3.672 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC001574233657 960428288 /nfs/dbraw/zinc/42/82/88/960428288.db2.gz RINFNOYPSUPRSF-VKJFTORMSA-N -1 0 347.455 3.538 20 0 EHADRM COc1ccccc1C1(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])CCC1 ZINC001574237241 960436318 /nfs/dbraw/zinc/43/63/18/960436318.db2.gz MYLCAPPGZIVDSQ-OAHLLOKOSA-N -1 0 347.455 3.513 20 0 EHADRM Cc1cc(NC(=O)c2nc(Cl)ccc2Cl)sc1C(=O)[O-] ZINC000235840524 960514527 /nfs/dbraw/zinc/51/45/27/960514527.db2.gz LAYFTCBRIOBRNQ-UHFFFAOYSA-N -1 0 331.180 3.709 20 0 EHADRM Cc1cccc(C(=O)Nc2ccc(CC(=O)[O-])cc2)c1Br ZINC000235909858 960530806 /nfs/dbraw/zinc/53/08/06/960530806.db2.gz WLUDKZVAOVCKAD-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM CSc1cccc(NC(=O)NCc2ccc(C(=O)[O-])cc2)c1C ZINC001574257102 960538186 /nfs/dbraw/zinc/53/81/86/960538186.db2.gz AOVDHLDYBJLWCT-UHFFFAOYSA-N -1 0 330.409 3.737 20 0 EHADRM CSc1cc(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)ccc1F ZINC001574257593 960544333 /nfs/dbraw/zinc/54/43/33/960544333.db2.gz QXTQCYDVTAJRGZ-DZGCQCFKSA-N -1 0 345.395 3.591 20 0 EHADRM CS[C@@H](C)CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001604948600 972519752 /nfs/dbraw/zinc/51/97/52/972519752.db2.gz ODTAFLDIHNIESR-IUCAKERBSA-N -1 0 327.471 3.651 20 0 EHADRM C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001603286866 972527507 /nfs/dbraw/zinc/52/75/07/972527507.db2.gz NEWRBBPLDNVFNM-SUMWQHHRSA-N -1 0 339.395 3.580 20 0 EHADRM CC(C)Sc1ccccc1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000236625429 960719193 /nfs/dbraw/zinc/71/91/93/960719193.db2.gz VSRGQZICZOQQOP-UHFFFAOYSA-N -1 0 343.448 3.858 20 0 EHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H]2C[C@@H]2C2CC2)cc1 ZINC000236696448 960734313 /nfs/dbraw/zinc/73/43/13/960734313.db2.gz OMVHOFRMHJUAFJ-IXDOHACOSA-N -1 0 329.440 3.662 20 0 EHADRM CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1(C)C ZINC000236752377 960751331 /nfs/dbraw/zinc/75/13/31/960751331.db2.gz XZQGBJXPVRZECQ-DOTOQJQBSA-N -1 0 331.412 3.717 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)NCCCCCC(=O)[O-])ccc1C(C)C ZINC000236750992 960751893 /nfs/dbraw/zinc/75/18/93/960751893.db2.gz OTCAZKXUTBCVLX-OAHLLOKOSA-N -1 0 335.444 3.647 20 0 EHADRM Cc1nc(-c2ccccc2)sc1C(=O)N(CCC(=O)[O-])CC(C)C ZINC000236764375 960753346 /nfs/dbraw/zinc/75/33/46/960753346.db2.gz JYFYZFSYDFRXCN-UHFFFAOYSA-N -1 0 346.452 3.691 20 0 EHADRM Cc1ccc(CNC(=O)CC(C)(C)CC(=O)[O-])c(OCCC(C)C)c1 ZINC000236764995 960754174 /nfs/dbraw/zinc/75/41/74/960754174.db2.gz LCXQEFZCYOSQMJ-UHFFFAOYSA-N -1 0 349.471 3.927 20 0 EHADRM CCC[C@](C)(NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000236810631 960763635 /nfs/dbraw/zinc/76/36/35/960763635.db2.gz WGVYCIIKJBDSFN-ZBEGNZNMSA-N -1 0 345.361 3.959 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC000236951798 960810988 /nfs/dbraw/zinc/81/09/88/960810988.db2.gz UXXZYJVSACCBOB-AWEZNQCLSA-N -1 0 325.408 3.757 20 0 EHADRM CCC[C@@](C)(NC(=O)c1cccc(OCc2cccs2)c1)C(=O)[O-] ZINC000236980794 960823067 /nfs/dbraw/zinc/82/30/67/960823067.db2.gz JXCAALOGUYSYQW-GOSISDBHSA-N -1 0 347.436 3.700 20 0 EHADRM CCC[C@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000236992084 960827103 /nfs/dbraw/zinc/82/71/03/960827103.db2.gz XHKZMYAZALMWMH-SFHVURJKSA-N -1 0 325.408 3.927 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)N1CCC[C@@](CC)(C(=O)[O-])C1 ZINC001573808345 960862710 /nfs/dbraw/zinc/86/27/10/960862710.db2.gz BUPYFCXLOPARPH-OXJNMPFZSA-N -1 0 331.456 3.667 20 0 EHADRM CN(CCCOc1ccc(Cl)cc1)C(=O)c1cccc(C(=O)[O-])c1 ZINC000237097658 960870509 /nfs/dbraw/zinc/87/05/09/960870509.db2.gz NSAARYJJYDMKAD-UHFFFAOYSA-N -1 0 347.798 3.579 20 0 EHADRM CCn1c(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc2ccccc21 ZINC000237196687 960884552 /nfs/dbraw/zinc/88/45/52/960884552.db2.gz HYHFPYRIGZJKNC-UHFFFAOYSA-N -1 0 336.391 3.632 20 0 EHADRM CC[C@H](NC(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1OC ZINC001573810541 960891537 /nfs/dbraw/zinc/89/15/37/960891537.db2.gz MUEVNNKDPFYRBX-HNNXBMFYSA-N -1 0 328.368 3.666 20 0 EHADRM C[C@H](Nc1ccccc1NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001263633001 960892181 /nfs/dbraw/zinc/89/21/81/960892181.db2.gz DDCHMOUKTVPLPI-CWRNSKLLSA-N -1 0 338.407 3.909 20 0 EHADRM COc1ccc(CNC(=O)CCCC2CCCCC2)cc1C(=O)[O-] ZINC000237279289 960902180 /nfs/dbraw/zinc/90/21/80/960902180.db2.gz CCOCMPXQXARTAN-UHFFFAOYSA-N -1 0 333.428 3.760 20 0 EHADRM Cc1cccc(OCCCC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000237273125 960902589 /nfs/dbraw/zinc/90/25/89/960902589.db2.gz IOANSIQJQMBFCQ-UHFFFAOYSA-N -1 0 341.407 3.511 20 0 EHADRM COc1ccc2oc(C)c(C(=O)Nc3cccc(C(=O)[O-])c3)c2c1 ZINC000237316143 960910350 /nfs/dbraw/zinc/91/03/50/960910350.db2.gz BIPPBGJTVRODOI-UHFFFAOYSA-N -1 0 325.320 3.700 20 0 EHADRM COc1ccc(/C(C)=C/C(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000237337723 960912931 /nfs/dbraw/zinc/91/29/31/960912931.db2.gz DHKWFSHRLFTUNV-PKNBQFBNSA-N -1 0 329.327 3.575 20 0 EHADRM COc1cc(CNC(=O)CC/C=C/c2ccccc2)ccc1C(=O)[O-] ZINC000237336161 960913064 /nfs/dbraw/zinc/91/30/64/960913064.db2.gz MDXWAWUAWRJJFY-WEVVVXLNSA-N -1 0 339.391 3.503 20 0 EHADRM CN1c2ccccc2C(=O)N[C@@H]1c1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001317741043 960913704 /nfs/dbraw/zinc/91/37/04/960913704.db2.gz IKASXMPIGBWSSD-SFHVURJKSA-N -1 0 348.358 3.523 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccc(C(=O)[O-])s2)C2CC2)o1 ZINC000237366716 960919651 /nfs/dbraw/zinc/91/96/51/960919651.db2.gz HQQOFVQLCBKZKI-MFKMUULPSA-N -1 0 345.420 3.968 20 0 EHADRM Cc1cc(NC(=O)NCC2(C)Cc3ccccc3C2)ccc1C(=O)[O-] ZINC001574338190 960922682 /nfs/dbraw/zinc/92/26/82/960922682.db2.gz FIBRJUJJWCPKFL-UHFFFAOYSA-N -1 0 338.407 3.620 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1nc(C(C)(C)C)cs1 ZINC000237514400 960950604 /nfs/dbraw/zinc/95/06/04/960950604.db2.gz CHTYWEMMXZLTJK-SNVBAGLBSA-N -1 0 332.425 3.630 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000237515930 960951060 /nfs/dbraw/zinc/95/10/60/960951060.db2.gz UKXMBVINNKXKAS-MRVPVSSYSA-N -1 0 339.178 3.578 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)COc1ccc(F)c(Cl)c1 ZINC001319535680 960952206 /nfs/dbraw/zinc/95/22/06/960952206.db2.gz QMGMSZWYSIGTPB-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM Cc1cc(OC(C)C)ccc1NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001574343385 960953100 /nfs/dbraw/zinc/95/31/00/960953100.db2.gz TYTJMQGMZIXWNL-RMKNXTFCSA-N -1 0 329.352 3.725 20 0 EHADRM Cc1cc(/C=C/C(=O)NCCCCC(=O)[O-])c(C)n1C1CCCCC1 ZINC000237537731 960955655 /nfs/dbraw/zinc/95/56/55/960955655.db2.gz YFVSYAIDULWTIV-VAWYXSNFSA-N -1 0 346.471 3.994 20 0 EHADRM C[C@@H]1CC[C@H](CCC(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)O1 ZINC000237541017 960955805 /nfs/dbraw/zinc/95/58/05/960955805.db2.gz DIVRTNUKFDKKPO-ZWNOBZJWSA-N -1 0 333.409 3.886 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NCCCC1CCCC1)C(=O)[O-] ZINC000237554641 960960351 /nfs/dbraw/zinc/96/03/51/960960351.db2.gz ODXFATWOXPQPPE-ZDUSSCGKSA-N -1 0 335.469 3.952 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001319852863 960962076 /nfs/dbraw/zinc/96/20/76/960962076.db2.gz ZMLFXMHADALEBU-DEQJRXDXSA-N -1 0 341.382 3.870 20 0 EHADRM C[C@H](CN(C)C(=O)c1cc(-c2ccccc2)nc2ccccc21)C(=O)[O-] ZINC000237576957 960965168 /nfs/dbraw/zinc/96/51/68/960965168.db2.gz PUTKIONEYFKLHQ-CQSZACIVSA-N -1 0 348.402 3.695 20 0 EHADRM Cc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)ccc1C(=O)[O-] ZINC000237620815 960977124 /nfs/dbraw/zinc/97/71/24/960977124.db2.gz KFWOEHAETBAMMI-NSHDSACASA-N -1 0 333.771 3.753 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(C(=O)N[C@H](C)CC(=O)[O-])cc1F ZINC000237642633 960981452 /nfs/dbraw/zinc/98/14/52/960981452.db2.gz OCQLAJRDJOPYDJ-LLVKDONJSA-N -1 0 333.334 3.533 20 0 EHADRM Cc1onc(-c2ccccc2)c1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000237687358 960995549 /nfs/dbraw/zinc/99/55/49/960995549.db2.gz KPVZSICLCOEJAB-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1ccc(C(=O)[O-])o1 ZINC000237687375 960995603 /nfs/dbraw/zinc/99/56/03/960995603.db2.gz YMNBDQYMBXOYBQ-WDEREUQCSA-N -1 0 335.787 3.895 20 0 EHADRM Cc1ccccc1C1(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCCCC1 ZINC000237689939 960997193 /nfs/dbraw/zinc/99/71/93/960997193.db2.gz MJCFYHGBQANMKU-CVEARBPZSA-N -1 0 329.440 3.566 20 0 EHADRM Cc1c2ccccc2oc1C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000237755786 961015916 /nfs/dbraw/zinc/01/59/16/961015916.db2.gz MTBGTJIJAYRXNM-QEJZJMRPSA-N -1 0 327.380 3.599 20 0 EHADRM Cc1c2ccccc2oc1C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC000237790806 961026142 /nfs/dbraw/zinc/02/61/42/961026142.db2.gz IYEOYYPXBXRDII-UHFFFAOYSA-N -1 0 335.319 3.568 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC000237835616 961032214 /nfs/dbraw/zinc/03/22/14/961032214.db2.gz VSISKJRMTIMKQM-UHFFFAOYSA-N -1 0 349.346 3.876 20 0 EHADRM Cc1ccc2c(CC(=O)N[C@H](CC(=O)[O-])c3cccs3)coc2c1 ZINC000237876753 961037318 /nfs/dbraw/zinc/03/73/18/961037318.db2.gz RWYOZMCWSBLMDM-CQSZACIVSA-N -1 0 343.404 3.677 20 0 EHADRM CC(C)(C(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001324611514 961037972 /nfs/dbraw/zinc/03/79/72/961037972.db2.gz CWWCPAKBLNPJJH-LLVKDONJSA-N -1 0 344.238 3.737 20 0 EHADRM CCCC[C@@H](C)C(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)[O-] ZINC001573840637 961067852 /nfs/dbraw/zinc/06/78/52/961067852.db2.gz FZDZCNAFWFUYDH-SECBINFHSA-N -1 0 341.429 3.696 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2COc2ccccc2)cn1 ZINC000238042974 961084829 /nfs/dbraw/zinc/08/48/29/961084829.db2.gz UYGJREYTXSMWTL-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM CC(C)(C)O[C@@H](C(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC001588732331 961093409 /nfs/dbraw/zinc/09/34/09/961093409.db2.gz NUMZCWYVXBMALQ-CRAIPNDOSA-N -1 0 347.455 3.646 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)C2(c3ccc(F)cc3)CCC2)c1 ZINC000238142160 961123839 /nfs/dbraw/zinc/12/38/39/961123839.db2.gz MPVSQWXHDVRZCJ-UHFFFAOYSA-N -1 0 331.318 3.723 20 0 EHADRM O=C([O-])CCCCCNC(=O)[C@@H](Oc1ccccc1)c1ccccc1 ZINC000238146248 961127142 /nfs/dbraw/zinc/12/71/42/961127142.db2.gz SCXJQUNTYVQQMX-IBGZPJMESA-N -1 0 341.407 3.568 20 0 EHADRM O=C([O-])c1cc(CN2CCO[C@@H](c3ccc(Cl)s3)C2)cs1 ZINC001326812889 961129133 /nfs/dbraw/zinc/12/91/33/961129133.db2.gz RTNXSTCQDJIISO-SNVBAGLBSA-N -1 0 343.857 3.735 20 0 EHADRM CC(C)(C)OCc1ccccc1NC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001588735041 961135964 /nfs/dbraw/zinc/13/59/64/961135964.db2.gz ZNQABRYFOAXJHG-AWEZNQCLSA-N -1 0 348.443 3.720 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2ccc(OCC3CC3)cc2)c1 ZINC000238159362 961136347 /nfs/dbraw/zinc/13/63/47/961136347.db2.gz CWOQOEKRSYJBPF-UHFFFAOYSA-N -1 0 329.327 3.565 20 0 EHADRM CC(C)(C)c1cc(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC001588739195 961144894 /nfs/dbraw/zinc/14/48/94/961144894.db2.gz FNEAAXXBNBZPKI-AULYBMBSSA-N -1 0 347.455 3.580 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)C/C=C/c2ccc(F)cc2)cc1 ZINC000238200269 961153969 /nfs/dbraw/zinc/15/39/69/961153969.db2.gz BSLGLCSMOLZZPN-OWOJBTEDSA-N -1 0 343.354 3.721 20 0 EHADRM CCCN(Cc1ccc(F)cc1)C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001573857798 961160956 /nfs/dbraw/zinc/16/09/56/961160956.db2.gz WVEGKAJPMXPSNC-BQYQJAHWSA-N -1 0 331.343 3.569 20 0 EHADRM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N(C)C(C)(C)CC(=O)[O-] ZINC001328572092 961211260 /nfs/dbraw/zinc/21/12/60/961211260.db2.gz CLPILGOQZCDZBE-NSHDSACASA-N -1 0 345.361 3.596 20 0 EHADRM Cc1cccc(OC(F)F)c1NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001574397239 961216098 /nfs/dbraw/zinc/21/60/98/961216098.db2.gz LPHHUXOFHNOERU-AATRIKPKSA-N -1 0 337.278 3.540 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)c1coc(/C=C\C(=O)[O-])c1)C(C)(C)C ZINC001574407679 961266990 /nfs/dbraw/zinc/26/69/90/961266990.db2.gz NRBBMSZHEAHZTQ-ZPUOCTKUSA-N -1 0 342.395 3.598 20 0 EHADRM CC(C)(CNC(=O)[C@]1(C(=O)[O-])CC1(C)C)Cc1cccc(Cl)c1 ZINC001588779950 961304740 /nfs/dbraw/zinc/30/47/40/961304740.db2.gz PPDPGTPFIIZPFG-SFHVURJKSA-N -1 0 337.847 3.526 20 0 EHADRM COc1cc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)ccc1C(=O)[O-] ZINC000261788586 961391652 /nfs/dbraw/zinc/39/16/52/961391652.db2.gz YSAMNSPPBVWSBN-UWVGGRQHSA-N -1 0 345.317 3.701 20 0 EHADRM O=C([O-])CC1CCN(C(=O)c2sccc2-c2ccccc2)CC1 ZINC000261830368 961394028 /nfs/dbraw/zinc/39/40/28/961394028.db2.gz XNVSBLAFHUPEHB-UHFFFAOYSA-N -1 0 329.421 3.742 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000261895281 961396596 /nfs/dbraw/zinc/39/65/96/961396596.db2.gz OGDVXKFFELQFIN-NXEZZACHSA-N -1 0 333.281 3.831 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C[C@H]2CCCc3ccccc32)Cc2ccccc21 ZINC000262062519 961424567 /nfs/dbraw/zinc/42/45/67/961424567.db2.gz BWOPODGTEWRSNS-OXQOHEQNSA-N -1 0 349.430 3.707 20 0 EHADRM CN(Cc1ccc(Cl)s1)C(=O)CCc1ccccc1C(=O)[O-] ZINC000262072149 961431787 /nfs/dbraw/zinc/43/17/87/961431787.db2.gz ANBWJGUWNGYTCC-UHFFFAOYSA-N -1 0 337.828 3.691 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N1CCSC2(CCCCC2)C1 ZINC000262079415 961439590 /nfs/dbraw/zinc/43/95/90/961439590.db2.gz DZMSDHLATVLIMC-UHFFFAOYSA-N -1 0 347.480 3.596 20 0 EHADRM Cc1sccc1CC(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21 ZINC001574446195 961449025 /nfs/dbraw/zinc/44/90/25/961449025.db2.gz HWWPMXTVMJVKQS-CQSZACIVSA-N -1 0 343.448 3.669 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)c1 ZINC000262104599 961461981 /nfs/dbraw/zinc/46/19/81/961461981.db2.gz DVTGEOIMJBQUFS-IRXDYDNUSA-N -1 0 343.810 3.501 20 0 EHADRM Cc1oc(CN(C)C(=O)c2ccc(OCC(C)C)cc2)cc1C(=O)[O-] ZINC000262117912 961473286 /nfs/dbraw/zinc/47/32/86/961473286.db2.gz JHLZSEHRVIUGII-UHFFFAOYSA-N -1 0 345.395 3.593 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)c2cccc(OCC(=O)[O-])c2)cc1 ZINC000262118590 961476592 /nfs/dbraw/zinc/47/65/92/961476592.db2.gz KYADQEJDWVJYBI-UHFFFAOYSA-N -1 0 327.380 3.700 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N1CCC[C@H]1c1cccs1 ZINC000262149212 961499974 /nfs/dbraw/zinc/49/99/74/961499974.db2.gz JHQVFZNQQHUKIC-HNNXBMFYSA-N -1 0 329.421 3.743 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1cccc(OCCc2ccccc2)c1 ZINC001588809140 961507103 /nfs/dbraw/zinc/50/71/03/961507103.db2.gz BQRHJGQJTWVQGQ-SFHVURJKSA-N -1 0 341.407 3.603 20 0 EHADRM CCN(C(=O)Cc1cccc(C(=O)[O-])c1)[C@H](C)c1cccc(OC)c1 ZINC000262203415 961550264 /nfs/dbraw/zinc/55/02/64/961550264.db2.gz SLDVDTQIRKLHKH-CQSZACIVSA-N -1 0 341.407 3.546 20 0 EHADRM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)Cc2ccccc2C(=O)[O-])C1 ZINC000262206129 961552994 /nfs/dbraw/zinc/55/29/94/961552994.db2.gz PDPSPTGVSBGGHH-WBVHZDCISA-N -1 0 337.419 3.640 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)Cc1ccccc1C(=O)[O-] ZINC000262217889 961563995 /nfs/dbraw/zinc/56/39/95/961563995.db2.gz UXNFYFAVYWCWNY-OAHLLOKOSA-N -1 0 339.435 3.800 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)c1cnc2c(F)cccc2c1 ZINC001332613370 961601633 /nfs/dbraw/zinc/60/16/33/961601633.db2.gz GYVVWDMTPBFRHY-UHFFFAOYSA-N -1 0 332.375 3.529 20 0 EHADRM CCC[C@H](C(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000262302556 961632194 /nfs/dbraw/zinc/63/21/94/961632194.db2.gz LHGKNZQMHVTYRL-KRWDZBQOSA-N -1 0 327.380 3.672 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1CCCc2ccccc21)c1ccc(F)cc1 ZINC000262320023 961641124 /nfs/dbraw/zinc/64/11/24/961641124.db2.gz QRKNQKFPANSCDA-ROUUACIJSA-N -1 0 341.382 3.578 20 0 EHADRM CCc1ccc(C(C)(C)CNC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC001573954112 961660071 /nfs/dbraw/zinc/66/00/71/961660071.db2.gz HCDPKJVZFDKKPJ-BENRWUELSA-N -1 0 341.407 3.647 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC001333317715 961673794 /nfs/dbraw/zinc/67/37/94/961673794.db2.gz XFMYKPRSRODYFC-CQSZACIVSA-N -1 0 333.771 3.537 20 0 EHADRM CCc1ccc2c(c1)[C@H](OC(=O)c1ccc(C(=O)[O-])cc1)CCO2 ZINC001573956695 961674551 /nfs/dbraw/zinc/67/45/51/961674551.db2.gz MRCMXMNNGLAGEU-QGZVFWFLSA-N -1 0 326.348 3.628 20 0 EHADRM CC(C)[C@@H](CNC(=O)Nc1ccc(COC2CCCC2)cc1)C(=O)[O-] ZINC001588827455 961680768 /nfs/dbraw/zinc/68/07/68/961680768.db2.gz VUCILFFVKUUNLW-QGZVFWFLSA-N -1 0 348.443 3.624 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3)C(=O)[O-] ZINC001588829961 961696296 /nfs/dbraw/zinc/69/62/96/961696296.db2.gz DYPKFZKHNSTTLQ-MRXNPFEDSA-N -1 0 342.439 3.523 20 0 EHADRM CC(C)[C@H](CNc1ncnc2c(-c3ccccc3)nsc21)C(=O)[O-] ZINC001588831346 961726344 /nfs/dbraw/zinc/72/63/44/961726344.db2.gz YBRJYNDNEQMJLS-LBPRGKRZSA-N -1 0 342.424 3.522 20 0 EHADRM CC(C)[C@@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccc(F)cc1 ZINC001588833920 961743761 /nfs/dbraw/zinc/74/37/61/961743761.db2.gz SPRUOCKOTUHUIW-SYJIQKIWSA-N -1 0 331.343 3.644 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@H](C)Cc1ccccc1F ZINC000262480356 961744234 /nfs/dbraw/zinc/74/42/34/961744234.db2.gz HULKXUSALGWIML-CYBMUJFWSA-N -1 0 329.371 3.958 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCC(CC(=O)[O-])CC2)c1 ZINC000262492423 961749026 /nfs/dbraw/zinc/74/90/26/961749026.db2.gz WRHZKMWIITYQIB-OAHLLOKOSA-N -1 0 347.455 3.599 20 0 EHADRM CCCc1cc(C(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)sc1C ZINC000262527769 961761150 /nfs/dbraw/zinc/76/11/50/961761150.db2.gz RWYKXQNNNYCCSI-UHFFFAOYSA-N -1 0 335.425 3.881 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2CCC(=Cc3cccc(F)c3)CC2)CC1 ZINC000262680292 961804667 /nfs/dbraw/zinc/80/46/67/961804667.db2.gz AJZHKDAVMYOSLQ-QAQDUYKDSA-N -1 0 345.414 3.723 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 ZINC000262724208 961829523 /nfs/dbraw/zinc/82/95/23/961829523.db2.gz RLWUGFOBQUMGPB-DOMZBBRYSA-N -1 0 335.831 3.521 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC000262747489 961844819 /nfs/dbraw/zinc/84/48/19/961844819.db2.gz ASOHECBNOLNXCY-JTQLQIEISA-N -1 0 347.308 3.562 20 0 EHADRM CN(CC1(c2ccccc2)CC1)C(=O)C1(C(=O)[O-])CCCCCC1 ZINC001573999339 961878342 /nfs/dbraw/zinc/87/83/42/961878342.db2.gz YKEWGRNYSYVVAI-UHFFFAOYSA-N -1 0 329.440 3.602 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cccc([C@H]3CCOC3)c2)c1 ZINC000262821277 961888615 /nfs/dbraw/zinc/88/86/15/961888615.db2.gz AVUFEKQQCFVGQV-GUYCJALGSA-N -1 0 339.391 3.631 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N[C@H](CC1CCC1)c1ccccc1 ZINC000262827351 961891666 /nfs/dbraw/zinc/89/16/66/961891666.db2.gz AZPBZZZNSSDSRG-MRXNPFEDSA-N -1 0 341.407 3.876 20 0 EHADRM CC(C)C[C@H](CNC(=O)C(C)(C)c1cccc(Cl)c1F)C(=O)[O-] ZINC001588847144 961894019 /nfs/dbraw/zinc/89/40/19/961894019.db2.gz DVUCNUZLBZPDEL-LLVKDONJSA-N -1 0 343.826 3.620 20 0 EHADRM C[C@H](CC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000262829607 961896453 /nfs/dbraw/zinc/89/64/53/961896453.db2.gz FUAWEUCMDLCKSB-AYOQOUSVSA-N -1 0 337.419 3.507 20 0 EHADRM O=C([O-])c1c(NC(=O)CSC(F)(F)F)sc2c1CCCC2 ZINC001574531524 961900104 /nfs/dbraw/zinc/90/01/04/961900104.db2.gz CVRBEZBJHRIRQU-UHFFFAOYSA-N -1 0 339.360 3.517 20 0 EHADRM CN(CCC(=O)[O-])C(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C ZINC001574007456 961902635 /nfs/dbraw/zinc/90/26/35/961902635.db2.gz JJJYOSHEQDVHKR-UHFFFAOYSA-N -1 0 349.471 3.594 20 0 EHADRM Cc1ccc(SC2CCCC2)c(C(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC000262851957 961917810 /nfs/dbraw/zinc/91/78/10/961917810.db2.gz BUMDROPTOTYVOB-ZDUSSCGKSA-N -1 0 333.453 3.576 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CCC[C@H](F)C1)c1cccc(Cl)c1 ZINC001335376026 961918953 /nfs/dbraw/zinc/91/89/53/961918953.db2.gz SSUYYROUKXKFBR-XBFCOCLRSA-N -1 0 327.783 3.500 20 0 EHADRM O=C([O-])c1cccc(CC(=O)NC2(Cc3ccccc3)CCCC2)c1 ZINC000262857585 961922400 /nfs/dbraw/zinc/92/24/00/961922400.db2.gz UYFJFVOXJPMHFM-UHFFFAOYSA-N -1 0 337.419 3.599 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N[C@H](C)c1cc(Cl)ccc1F)C(=O)[O-] ZINC001588853236 961954938 /nfs/dbraw/zinc/95/49/38/961954938.db2.gz TYTIRUMOQAEALO-MNOVXSKESA-N -1 0 344.814 3.586 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1ccnc(-c2ccccc2)c1)C(=O)[O-] ZINC001588855026 961967111 /nfs/dbraw/zinc/96/71/11/961967111.db2.gz UHRNKKJJHIAJBP-HNNXBMFYSA-N -1 0 341.411 3.617 20 0 EHADRM CC(C)CC1(CNC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)CCC1 ZINC001588861431 961999256 /nfs/dbraw/zinc/99/92/56/961999256.db2.gz VGYMHEWEVDGNKD-LJQANCHMSA-N -1 0 346.471 3.545 20 0 EHADRM COc1ccc(CCCCCC(=O)NC2(CC(=O)[O-])CCCC2)cc1 ZINC000262969963 962057153 /nfs/dbraw/zinc/05/71/53/962057153.db2.gz SMWNUROQZLLTQK-UHFFFAOYSA-N -1 0 347.455 3.702 20 0 EHADRM CC(C)CC1(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)CCC1 ZINC000262980148 962070257 /nfs/dbraw/zinc/07/02/57/962070257.db2.gz UHPBPKMPDJKBIQ-DLBZAZTESA-N -1 0 329.440 3.530 20 0 EHADRM CC(C)[C@H](CNC(=O)Cc1ccccc1C(=O)[O-])Cc1ccccc1 ZINC000262997059 962090016 /nfs/dbraw/zinc/09/00/16/962090016.db2.gz ONXBYULCULPFGF-SFHVURJKSA-N -1 0 339.435 3.558 20 0 EHADRM CC(C)(CCCc1ccccc1)C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-] ZINC000263004881 962100591 /nfs/dbraw/zinc/10/05/91/962100591.db2.gz PEWMNFAFLTTXJR-ZDUSSCGKSA-N -1 0 345.361 3.557 20 0 EHADRM COc1cc(NC(=O)C(C)(C)c2ccc(C)cc2)ccc1C(=O)[O-] ZINC000263005777 962102716 /nfs/dbraw/zinc/10/27/16/962102716.db2.gz RPOLPVBJOHWTFF-UHFFFAOYSA-N -1 0 327.380 3.618 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@H]1CCC[C@H]1Cc1ccccc1)c1ccccc1 ZINC001574584711 962109868 /nfs/dbraw/zinc/10/98/68/962109868.db2.gz IMVITBKBOICQMA-FHWLQOOXSA-N -1 0 337.419 3.588 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C2CCCCCCC2)C[C@@H]1c1ccccc1 ZINC000263032228 962147817 /nfs/dbraw/zinc/14/78/17/962147817.db2.gz ZAUTVGUWQDXCMH-QZTJIDSGSA-N -1 0 329.440 3.674 20 0 EHADRM COCc1cc(NC(=O)c2csc(C(C)(C)C)n2)cc(C(=O)[O-])c1 ZINC000263033384 962150385 /nfs/dbraw/zinc/15/03/85/962150385.db2.gz CQSGSUSQMQUHGS-UHFFFAOYSA-N -1 0 348.424 3.538 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000263048050 962178438 /nfs/dbraw/zinc/17/84/38/962178438.db2.gz FEYPJOMQSRFILU-YVEFUNNKSA-N -1 0 329.396 3.903 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2ccc(OCC3CC3)cc2)cc1 ZINC000263047158 962178478 /nfs/dbraw/zinc/17/84/78/962178478.db2.gz DPFCMNFPJQSZFO-ZDUSSCGKSA-N -1 0 339.391 3.916 20 0 EHADRM CCC[C@@H](C(=O)N1CCCC[C@H]1c1ccc(C(=O)[O-])n1C)C(C)C ZINC001344591536 962213459 /nfs/dbraw/zinc/21/34/59/962213459.db2.gz DYTBCSJOJJLWGA-ZBFHGGJFSA-N -1 0 334.460 3.849 20 0 EHADRM CC(C)C[C@H](CNC(=O)N[C@@H](Cc1ccccc1)C(C)C)CC(=O)[O-] ZINC001588893047 962214753 /nfs/dbraw/zinc/21/47/53/962214753.db2.gz QWIGKRAIKCSOEH-ROUUACIJSA-N -1 0 348.487 3.690 20 0 EHADRM CC(C)C[C@H](CNC(=O)N[C@H]1CCC[C@@H]1C(C)(C)C)CC(=O)[O-] ZINC001588893066 962217038 /nfs/dbraw/zinc/21/70/38/962217038.db2.gz SKPQEMJOAGQISK-KKUMJFAQSA-N -1 0 326.481 3.637 20 0 EHADRM CC[C@H](C)CC(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC000263080755 962224839 /nfs/dbraw/zinc/22/48/39/962224839.db2.gz CWAQMIJKJRCURF-NSHDSACASA-N -1 0 332.425 3.561 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)CCCCc2cccc(O)c2)c1 ZINC001345119522 962232248 /nfs/dbraw/zinc/23/22/48/962232248.db2.gz BQUJIPWVVOUMRG-AWEZNQCLSA-N -1 0 341.407 3.932 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1cccc(Oc2ccccc2)n1)C1CCCC1 ZINC001574620499 962240321 /nfs/dbraw/zinc/24/03/21/962240321.db2.gz BPNAZRRMEXBFKX-QGZVFWFLSA-N -1 0 340.379 3.703 20 0 EHADRM CC(C)C[C@H](NC(=O)Nc1ccc(N2CCCCCC2)cc1)C(=O)[O-] ZINC001588900817 962253405 /nfs/dbraw/zinc/25/34/05/962253405.db2.gz CSARLTDPMPQHGN-KRWDZBQOSA-N -1 0 347.459 3.688 20 0 EHADRM Cc1ccsc1C(=O)N[C@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC000263114024 962265949 /nfs/dbraw/zinc/26/59/49/962265949.db2.gz RWBBJFAWKYHSGX-GOEBONIOSA-N -1 0 343.448 3.750 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000263115389 962267200 /nfs/dbraw/zinc/26/72/00/962267200.db2.gz DUAYFKSQXGWMAK-UHFFFAOYSA-N -1 0 329.371 3.660 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)c2cc3c(o2)CCCC3)c1 ZINC001345755620 962284181 /nfs/dbraw/zinc/28/41/81/962284181.db2.gz SSHQCEDCGIWILH-UHFFFAOYSA-N -1 0 345.420 3.729 20 0 EHADRM O=C([O-])C1(C(=O)NCC[C@H]2CCc3ccccc32)CCCCCC1 ZINC001574629860 962293279 /nfs/dbraw/zinc/29/32/79/962293279.db2.gz GTCWTTYINKRRKJ-MRXNPFEDSA-N -1 0 329.440 3.648 20 0 EHADRM Cc1ccc(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)s1 ZINC000263139594 962294160 /nfs/dbraw/zinc/29/41/60/962294160.db2.gz VBPCBOMZFYZNDQ-UONOGXRCSA-N -1 0 349.839 3.650 20 0 EHADRM CC(C)N(C(=O)c1ccc(C(=O)[O-])nc1)c1ccc(F)cc1Cl ZINC001588912567 962326134 /nfs/dbraw/zinc/32/61/34/962326134.db2.gz NJKSPDJJZXECLS-UHFFFAOYSA-N -1 0 336.750 3.628 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)cc1 ZINC000263173640 962327128 /nfs/dbraw/zinc/32/71/28/962327128.db2.gz GIDNIAATDKCLSR-AWEZNQCLSA-N -1 0 339.391 3.785 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)c(C)n1C(C)C ZINC000263181326 962336260 /nfs/dbraw/zinc/33/62/60/962336260.db2.gz KINYJAQBBPJCDS-UHFFFAOYSA-N -1 0 332.375 3.704 20 0 EHADRM CCC[C@H](C(=O)Nc1ccc(CC(=O)[O-])c(F)c1)c1ccccc1 ZINC000263199542 962355107 /nfs/dbraw/zinc/35/51/07/962355107.db2.gz MERFZARXURRDHL-INIZCTEOSA-N -1 0 329.371 3.975 20 0 EHADRM O=C([O-])CN(C(=O)CC1CCC(C(F)(F)F)CC1)c1ccccc1 ZINC000263221468 962373317 /nfs/dbraw/zinc/37/33/17/962373317.db2.gz YXCIKURVBLQWIY-UHFFFAOYSA-N -1 0 343.345 3.863 20 0 EHADRM C[C@@H](NC(=O)c1ccc(/C=C\C(=O)[O-])o1)c1nc(C(C)(C)C)cs1 ZINC001347048169 962377802 /nfs/dbraw/zinc/37/78/02/962377802.db2.gz CFCLOUISVOEUKL-BJPMOSCESA-N -1 0 348.424 3.622 20 0 EHADRM CCc1ccc(C(C)(C)C(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1 ZINC000263249605 962393667 /nfs/dbraw/zinc/39/36/67/962393667.db2.gz HAQRQMCYGFOYAF-UHFFFAOYSA-N -1 0 341.407 3.629 20 0 EHADRM CC(C)c1cccc(C(=O)N2CCC(c3cc(C(=O)[O-])on3)CC2)c1 ZINC001347561795 962400869 /nfs/dbraw/zinc/40/08/69/962400869.db2.gz IBJSWKFYJPQNHO-UHFFFAOYSA-N -1 0 342.395 3.516 20 0 EHADRM O=C([O-])C1CCN(C(=O)N[C@H](CC2CCCC2)c2ccccc2)CC1 ZINC000263278532 962416780 /nfs/dbraw/zinc/41/67/80/962416780.db2.gz SQCNRFVQPGIFCU-GOSISDBHSA-N -1 0 344.455 3.814 20 0 EHADRM COC1(CC(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)CCC1 ZINC000263277583 962418020 /nfs/dbraw/zinc/41/80/20/962418020.db2.gz NQBKMYVZEAXYRS-INIZCTEOSA-N -1 0 347.455 3.575 20 0 EHADRM CC(C)c1ccc(C[C@@H](C)NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC000263283044 962421774 /nfs/dbraw/zinc/42/17/74/962421774.db2.gz OWOWPCGFTBQUDH-ZTFGCOKTSA-N -1 0 331.456 3.748 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000263305198 962446547 /nfs/dbraw/zinc/44/65/47/962446547.db2.gz VSULEPYNLDIMNM-DYESRHJHSA-N -1 0 335.403 3.844 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)c1 ZINC000263334308 962480435 /nfs/dbraw/zinc/48/04/35/962480435.db2.gz QNAZHMRYPJQDCK-NZVBXONLSA-N -1 0 345.345 3.895 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2C[C@]23CCc2ccccc23)cc1 ZINC000263345109 962497578 /nfs/dbraw/zinc/49/75/78/962497578.db2.gz TVABVOROMQYXCD-FPSMJMQUSA-N -1 0 335.403 3.717 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccc(F)c2ccccc21 ZINC000263350269 962503161 /nfs/dbraw/zinc/50/31/61/962503161.db2.gz HPURIIVVEGKSDG-OLZOCXBDSA-N -1 0 344.386 3.546 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cc(F)ccc2SCC(F)F)C1 ZINC000263349895 962503483 /nfs/dbraw/zinc/50/34/83/962503483.db2.gz VFFFQESJWMGNPN-DTWKUNHWSA-N -1 0 347.358 3.622 20 0 EHADRM COc1ccc(C(C)(C)C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cc1 ZINC000263353679 962507615 /nfs/dbraw/zinc/50/76/15/962507615.db2.gz WIKVFCHFYJCMEM-CYBMUJFWSA-N -1 0 341.407 3.800 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N(C2CC2)[C@@H]2CCc3ccccc32)cc1 ZINC000263356144 962511569 /nfs/dbraw/zinc/51/15/69/962511569.db2.gz RQRZTXFDCOKUNU-LJQANCHMSA-N -1 0 335.403 3.606 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N(C)[C@@H](c1ccccc1)C(C)C ZINC000263374831 962532070 /nfs/dbraw/zinc/53/20/70/962532070.db2.gz AQGYUTIDWWBNRT-GOSISDBHSA-N -1 0 329.396 3.684 20 0 EHADRM O=C([O-])CC1(C(=O)Oc2ccc(Cl)c3ccccc23)CCOCC1 ZINC001574675359 962558823 /nfs/dbraw/zinc/55/88/23/962558823.db2.gz JNFDDCNZOSFENF-UHFFFAOYSA-N -1 0 348.782 3.670 20 0 EHADRM Cc1ccc2c(CC(=O)NC3(C(=O)[O-])CCCCCC3)coc2c1C ZINC001350669108 962565605 /nfs/dbraw/zinc/56/56/05/962565605.db2.gz XYYZOMGABQMDQS-UHFFFAOYSA-N -1 0 343.423 3.886 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000263406082 962572385 /nfs/dbraw/zinc/57/23/85/962572385.db2.gz HTZCWTYGYDDOBS-NSHDSACASA-N -1 0 335.787 3.702 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cnn(C2CCCCC2)c1 ZINC001350788489 962589901 /nfs/dbraw/zinc/58/99/01/962589901.db2.gz DNFUSYQAACKXGS-UHFFFAOYSA-N -1 0 341.411 3.901 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)Nc2cccc(-c3cccs3)c2)C1 ZINC000263468915 962656038 /nfs/dbraw/zinc/65/60/38/962656038.db2.gz HCZIAROEJNSCIG-KRWDZBQOSA-N -1 0 330.409 3.744 20 0 EHADRM O=C([O-])C1CCC(NC(=O)N2CCC[C@H]2/C=C/c2ccccc2)CC1 ZINC000263476798 962662132 /nfs/dbraw/zinc/66/21/32/962662132.db2.gz MVRXPLUFEBQCTJ-IWTVYGGOSA-N -1 0 342.439 3.517 20 0 EHADRM O=C([O-])CCCC(=O)O[C@H](Cc1ccc(Cl)cc1)C(F)(F)F ZINC001574697296 962665215 /nfs/dbraw/zinc/66/52/15/962665215.db2.gz CNICHZLEWLIDJF-LLVKDONJSA-N -1 0 338.709 3.612 20 0 EHADRM CC(C)c1ccc2c(c1)CN(C(=O)[C@H](C(=O)[O-])C1CCCC1)CC2 ZINC001588969935 962668845 /nfs/dbraw/zinc/66/88/45/962668845.db2.gz VYQUIFMIQJWZJG-GOSISDBHSA-N -1 0 329.440 3.586 20 0 EHADRM O=C([O-])CCCCC(=O)OCc1ncc(-c2cccc(Cl)c2)o1 ZINC001574699846 962678460 /nfs/dbraw/zinc/67/84/60/962678460.db2.gz WEPNAFPOVIJYOX-UHFFFAOYSA-N -1 0 337.759 3.683 20 0 EHADRM CC[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(C(=O)[O-])c(C)n1 ZINC000263351860 1125483931 /nfs/dbraw/zinc/48/39/31/1125483931.db2.gz PZUDAVQJXGSUNA-ZDUSSCGKSA-N -1 0 326.396 3.529 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000263532094 962712977 /nfs/dbraw/zinc/71/29/77/962712977.db2.gz MYTBYOSRGWDPPE-DGCLKSJQSA-N -1 0 349.324 3.579 20 0 EHADRM CCOc1ccccc1[C@@H](CC)NC(=O)c1ccc(C(=O)[O-])s1 ZINC000263543143 962719418 /nfs/dbraw/zinc/71/94/18/962719418.db2.gz RWEXKVHSCTYILR-GFCCVEGCSA-N -1 0 333.409 3.726 20 0 EHADRM Cc1cc(N[C@@H](CCC(=O)[O-])Cc2ccccc2)nc(C2CC2)n1 ZINC000263541959 962719956 /nfs/dbraw/zinc/71/99/56/962719956.db2.gz DJRMPLBXMFCXOZ-INIZCTEOSA-N -1 0 325.412 3.550 20 0 EHADRM CN(CC1(c2ccccc2)CC1)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000263560529 962730371 /nfs/dbraw/zinc/73/03/71/962730371.db2.gz BOOFDHKEWZLMPD-UHFFFAOYSA-N -1 0 337.419 3.508 20 0 EHADRM O=C([O-])[C@H]1CCCCN1Cc1nc(-c2ccccc2Cl)cs1 ZINC000263573657 962739234 /nfs/dbraw/zinc/73/92/34/962739234.db2.gz MRHFKCBUVOGVCA-CQSZACIVSA-N -1 0 336.844 3.903 20 0 EHADRM O=C([O-])CC1(CNC(=O)Cc2c[nH]c3cc(Cl)ccc23)CCCC1 ZINC001517398545 962784350 /nfs/dbraw/zinc/78/43/50/962784350.db2.gz LXEMGCYMFAMSTB-UHFFFAOYSA-N -1 0 348.830 3.515 20 0 EHADRM C[C@@H](CC(=O)Nc1cc(C(=O)[O-])ccc1Br)C1CC1 ZINC001588993252 962811316 /nfs/dbraw/zinc/81/13/16/962811316.db2.gz AJNYZHGJEHPRKZ-QMMMGPOBSA-N -1 0 326.190 3.522 20 0 EHADRM COc1cc(C)c(NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)c(C)c1C ZINC001574181615 962812719 /nfs/dbraw/zinc/81/27/19/962812719.db2.gz DUVCLZOAAFBZDJ-OAHLLOKOSA-N -1 0 348.443 3.729 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(O)c(C(=O)[O-])c1)c1ccc(F)cc1F ZINC001588993727 962819772 /nfs/dbraw/zinc/81/97/72/962819772.db2.gz HMKQLVNUUZEYLZ-SECBINFHSA-N -1 0 335.306 3.501 20 0 EHADRM COc1cc2ccccc2cc1C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC001574194757 962867027 /nfs/dbraw/zinc/86/70/27/962867027.db2.gz FLCYBOSEFWVAKD-NRFANRHFSA-N -1 0 349.386 3.578 20 0 EHADRM CCCCCC(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000311992763 963526319 /nfs/dbraw/zinc/52/63/19/963526319.db2.gz QGNQGWXDXMNVIJ-UHFFFAOYSA-N -1 0 328.206 3.975 20 0 EHADRM O=C([O-])/C=C\c1ccc(OCCSC2(CO)CCCCC2)cc1 ZINC000312989790 963610537 /nfs/dbraw/zinc/61/05/37/963610537.db2.gz WLKRGKOUCLMUSE-TWGQIWQCSA-N -1 0 336.453 3.592 20 0 EHADRM O=C([O-])c1cccc(F)c1NC(=O)/C=C\c1ccc(Cl)s1 ZINC000313378059 963639214 /nfs/dbraw/zinc/63/92/14/963639214.db2.gz NAGPNYQCZYFONH-ALCCZGGFSA-N -1 0 325.748 3.891 20 0 EHADRM O=C([O-])C1(NC(=O)Cc2c(Cl)cccc2Cl)CCCCCC1 ZINC000314384375 963747796 /nfs/dbraw/zinc/74/77/96/963747796.db2.gz BIDPGAFHYDWURE-UHFFFAOYSA-N -1 0 344.238 3.830 20 0 EHADRM C[C@@H](N[C@H]1CCSc2ccc(F)cc21)c1ncc(C(=O)[O-])s1 ZINC000314633949 963781930 /nfs/dbraw/zinc/78/19/30/963781930.db2.gz JKCZLXBLQFOUAJ-KCJUWKMLSA-N -1 0 338.429 3.868 20 0 EHADRM CCCCSCC(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000316446747 964013606 /nfs/dbraw/zinc/01/36/06/964013606.db2.gz VPKWOGZWVQCIBU-UHFFFAOYSA-N -1 0 335.347 3.875 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000237248157 967782972 /nfs/dbraw/zinc/78/29/72/967782972.db2.gz OKEOPQGSLDGNIK-RDJZCZTQSA-N -1 0 347.455 3.510 20 0 EHADRM C[C@H]1CN(C(=O)c2cc3c(ccc4ccccc34)[nH]2)CC[C@@H]1C(=O)[O-] ZINC000262851278 967829374 /nfs/dbraw/zinc/82/93/74/967829374.db2.gz DPZUWKPFNATZSI-JSGCOSHPSA-N -1 0 336.391 3.504 20 0 EHADRM CC(C)(CCNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000263002713 967836784 /nfs/dbraw/zinc/83/67/84/967836784.db2.gz MKVZDNAVMURKNP-NEPJUHHUSA-N -1 0 344.238 3.714 20 0 EHADRM CC(C)c1ccc([C@H](NC(=O)NCCC(=O)[O-])c2cccs2)cc1 ZINC000263020071 967837489 /nfs/dbraw/zinc/83/74/89/967837489.db2.gz OKAPJWIRGBPQOE-KRWDZBQOSA-N -1 0 346.452 3.735 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc(-c3ccco3)cc2F)C1 ZINC000263034951 967839591 /nfs/dbraw/zinc/83/95/91/967839591.db2.gz BQVKUBFOCZLYBU-WCQYABFASA-N -1 0 346.358 3.660 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NC(c2cccs2)c2cccs2)C1 ZINC000263053401 967841394 /nfs/dbraw/zinc/84/13/94/967841394.db2.gz FCPNHQFHLBNYRP-WDEREUQCSA-N -1 0 335.450 3.516 20 0 EHADRM C[C@@H]1CN(C(=O)C2CCC(c3ccccc3)CC2)CC[C@@H]1C(=O)[O-] ZINC000263100050 967845875 /nfs/dbraw/zinc/84/58/75/967845875.db2.gz VWTFKXFOMFDWBZ-LTDKPHRXSA-N -1 0 329.440 3.530 20 0 EHADRM COc1cc(Cl)c(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1Cl ZINC000263308483 967868578 /nfs/dbraw/zinc/86/85/78/967868578.db2.gz HQQADHQFVNOMIJ-UWVGGRQHSA-N -1 0 332.227 3.687 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(Cl)cc2Cl)CC[C@@H]1C(=O)[O-] ZINC000313840566 967962855 /nfs/dbraw/zinc/96/28/55/967962855.db2.gz KFXKOXJWCVMEEO-WPRPVWTQSA-N -1 0 331.199 3.568 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)NCc2cccc3ccccc32)C1 ZINC000392962850 968203463 /nfs/dbraw/zinc/20/34/63/968203463.db2.gz JGPKGAWQEUBHTQ-HXUWFJFHSA-N -1 0 340.423 3.626 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2cccc3ccc(C)nc32)C1 ZINC000392912350 968204340 /nfs/dbraw/zinc/20/43/40/968204340.db2.gz DBGIPQXGZSGZJH-IBGZPJMESA-N -1 0 341.411 3.652 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1cccc(Cl)c1Cl ZINC000397078429 968244291 /nfs/dbraw/zinc/24/42/91/968244291.db2.gz PLKDJIMJDWUIJG-DTWKUNHWSA-N -1 0 331.199 3.710 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)Nc2ccc3c(c2)CCCCC3)CC1 ZINC000404702679 968327114 /nfs/dbraw/zinc/32/71/14/968327114.db2.gz ODHYLYZLVPDEJJ-UHFFFAOYSA-N -1 0 330.428 3.674 20 0 EHADRM Cc1c(NC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)cccc1C(F)(F)F ZINC000517145682 968392164 /nfs/dbraw/zinc/39/21/64/968392164.db2.gz QASBVBMKPOJCHN-MWLCHTKSSA-N -1 0 344.333 3.588 20 0 EHADRM CSc1cc(C(=O)NCC2(C(=O)[O-])CCC2)c(Cl)cc1Cl ZINC000539572020 968402689 /nfs/dbraw/zinc/40/26/89/968402689.db2.gz KUCAUGNWIVHMEL-UHFFFAOYSA-N -1 0 348.251 3.700 20 0 EHADRM CCC(=O)c1cccc(NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000653540762 968673403 /nfs/dbraw/zinc/67/34/03/968673403.db2.gz SWAZXNRNKMBTKN-BYCMXARLSA-N -1 0 346.427 3.536 20 0 EHADRM C[C@H](CC(=O)N(CC(=O)[O-])C1CCC1)c1ccc(C(F)(F)F)cc1 ZINC000655591124 968689042 /nfs/dbraw/zinc/68/90/42/968689042.db2.gz DZTRSTYZACDLGM-LLVKDONJSA-N -1 0 343.345 3.665 20 0 EHADRM O=C([O-])CN(Cc1oc2ccccc2c1Br)C1CCC1 ZINC000662212560 968755690 /nfs/dbraw/zinc/75/56/90/968755690.db2.gz NLILQJFFUFPWDV-UHFFFAOYSA-N -1 0 338.201 3.634 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)c2ccccc2Cc2ccccc2)C1 ZINC000676218283 968861457 /nfs/dbraw/zinc/86/14/57/968861457.db2.gz LGOTYHFWAYIBBT-QGZVFWFLSA-N -1 0 337.419 3.604 20 0 EHADRM C[C@@]1(Cc2ccccc2)CCCN1C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000864144532 969323120 /nfs/dbraw/zinc/32/31/20/969323120.db2.gz YKMZQYQPCRIMIU-XADARROHSA-N -1 0 339.391 3.615 20 0 EHADRM CSc1ccc(/C=C\C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)s1 ZINC000901575023 969441281 /nfs/dbraw/zinc/44/12/81/969441281.db2.gz KLIOVVUBJFEUHN-HWPRWLFBSA-N -1 0 339.482 3.587 20 0 EHADRM CC(C)(C)c1csc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)n1 ZINC000901638919 969454493 /nfs/dbraw/zinc/45/44/93/969454493.db2.gz HHXZESICTXYWRA-LBPRGKRZSA-N -1 0 344.436 3.659 20 0 EHADRM Cc1ccc2c(ccc(C)c2C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000909989365 969630110 /nfs/dbraw/zinc/63/01/10/969630110.db2.gz MOUQABCMHCTMBK-ZBFHGGJFSA-N -1 0 325.408 3.639 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001573388015 969809470 /nfs/dbraw/zinc/80/94/70/969809470.db2.gz HJLORFRUMLGRDH-WMJZSHNHSA-N -1 0 337.419 3.557 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)O[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC001606547720 970323331 /nfs/dbraw/zinc/32/33/31/970323331.db2.gz QXKFYFIDMVHYRZ-VWYCJHECSA-N -1 0 336.693 3.597 20 0 EHADRM Cc1ccc(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)c(Cl)c1 ZINC000317434596 970359498 /nfs/dbraw/zinc/35/94/98/970359498.db2.gz KXJXDEHOYMKQMO-UHFFFAOYSA-N -1 0 325.698 3.877 20 0 EHADRM O=C([O-])c1ccc(OCc2cc(Cl)ccc2F)c([N+](=O)[O-])c1 ZINC000318468797 970436651 /nfs/dbraw/zinc/43/66/51/970436651.db2.gz FCZIPWSLRVNJLW-UHFFFAOYSA-N -1 0 325.679 3.665 20 0 EHADRM Cc1nn(C)c2sc(C(=O)Nc3ccc(Cl)c(C(=O)[O-])c3)cc12 ZINC000319640446 970556570 /nfs/dbraw/zinc/55/65/70/970556570.db2.gz PAOSXEDKBHPHML-UHFFFAOYSA-N -1 0 349.799 3.547 20 0 EHADRM O=C([O-])c1nn(-c2ccccc2)cc1OCc1ccccc1Cl ZINC000319880721 970584157 /nfs/dbraw/zinc/58/41/57/970584157.db2.gz VQGQGLOXIJRLNY-UHFFFAOYSA-N -1 0 328.755 3.803 20 0 EHADRM Cc1sc(NC(=O)N2CCc3ccccc3C2)c(C(=O)[O-])c1C ZINC000320510592 970672897 /nfs/dbraw/zinc/67/28/97/970672897.db2.gz DNDQUIARESAJTM-UHFFFAOYSA-N -1 0 330.409 3.653 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2cccc(OC(F)F)c2)s1 ZINC000320625858 970687746 /nfs/dbraw/zinc/68/77/46/970687746.db2.gz XUVNQZDUAPWGQC-UHFFFAOYSA-N -1 0 341.335 3.862 20 0 EHADRM C[C@H]1CCc2sc(C(=O)N[C@H](C(=O)[O-])C3CCCCC3)cc2C1 ZINC000320698965 970701530 /nfs/dbraw/zinc/70/15/30/970701530.db2.gz DEBQRBJFIFHCPC-ZBEGNZNMSA-N -1 0 335.469 3.636 20 0 EHADRM Cc1c2ccccc2sc1[C@H](C)OC(=O)c1cnc(C(=O)[O-])cn1 ZINC001600059208 970751628 /nfs/dbraw/zinc/75/16/28/970751628.db2.gz DRHJKWLFOWNPGZ-JTQLQIEISA-N -1 0 342.376 3.616 20 0 EHADRM CC(C)CCCCCCNC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000393034947 972557489 /nfs/dbraw/zinc/55/74/89/972557489.db2.gz PSNVNIKIPLMXBO-GOSISDBHSA-N -1 0 346.471 3.987 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)Nc1cccc2cccnc21 ZINC000393086997 972561745 /nfs/dbraw/zinc/56/17/45/972561745.db2.gz BABKULMVMFJOFN-UHFFFAOYSA-N -1 0 335.363 3.597 20 0 EHADRM O=C([O-])c1csc(SCc2ncc(-c3ccc(F)cc3)o2)n1 ZINC000393291763 972580928 /nfs/dbraw/zinc/58/09/28/972580928.db2.gz AKIXCVYVIGEIDQ-UHFFFAOYSA-N -1 0 336.369 3.928 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1cccc(-c2ccc(F)c(F)c2)c1 ZINC001605857247 972606795 /nfs/dbraw/zinc/60/67/95/972606795.db2.gz FKVQHWNUYCIYDU-UONOGXRCSA-N -1 0 331.318 3.681 20 0 EHADRM CN(Cc1cccc2ccccc21)C(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001604189657 972621898 /nfs/dbraw/zinc/62/18/98/972621898.db2.gz BTKJAHBYKDDHGE-GOSISDBHSA-N -1 0 325.408 3.689 20 0 EHADRM CC1(C)C[C@@H](O)c2cccc(NCc3ccc(C(=O)[O-])cc3)c2O1 ZINC001603316527 972630668 /nfs/dbraw/zinc/63/06/68/972630668.db2.gz SNJCMVAWAMPNAY-MRXNPFEDSA-N -1 0 327.380 3.591 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC001603321582 972643524 /nfs/dbraw/zinc/64/35/24/972643524.db2.gz UQOFUUJVIDWTCG-LJQANCHMSA-N -1 0 330.428 3.506 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)OCc1c(Cl)ccc(F)c1Cl ZINC001603323922 972663715 /nfs/dbraw/zinc/66/37/15/972663715.db2.gz NMDGOFKBIIHBLK-AWEZNQCLSA-N -1 0 335.158 3.677 20 0 EHADRM CC1(C)CCC[C@@H]1[C@@H]1CCN(C(=O)c2coc(/C=C/C(=O)[O-])c2)C1 ZINC001603329077 972687091 /nfs/dbraw/zinc/68/70/91/972687091.db2.gz XWDJCQYUHRRJEW-GBYQGRNTSA-N -1 0 331.412 3.666 20 0 EHADRM O=C([O-])[C@H](C(=O)N[C@H]1CCC[C@@H](c2cccc(Cl)c2)C1)C1CC1 ZINC001605892815 972695188 /nfs/dbraw/zinc/69/51/88/972695188.db2.gz HMWFNFUZUSPZJV-KBMXLJTQSA-N -1 0 335.831 3.593 20 0 EHADRM C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001603354511 972790919 /nfs/dbraw/zinc/79/09/19/972790919.db2.gz JBZUBRBZIWFQBX-ZWNOBZJWSA-N -1 0 344.333 3.508 20 0 EHADRM C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC001603356160 972810870 /nfs/dbraw/zinc/81/08/70/972810870.db2.gz XDZFSDFBPKMZPD-ZYHUDNBSSA-N -1 0 344.333 3.508 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1 ZINC000396357988 972865275 /nfs/dbraw/zinc/86/52/75/972865275.db2.gz COENVTIDRDCZFR-LBPRGKRZSA-N -1 0 336.347 3.782 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N(C)Cc2ccccc2F)cc1 ZINC000396359541 972865942 /nfs/dbraw/zinc/86/59/42/972865942.db2.gz IBDBEGNUMYOEJE-LBPRGKRZSA-N -1 0 330.359 3.678 20 0 EHADRM Cc1cc(NC(=O)C[C@@H](c2ncc[nH]2)c2ccccc2)ccc1C(=O)[O-] ZINC001605192301 972912421 /nfs/dbraw/zinc/91/24/21/972912421.db2.gz HTYCMEQXORYZQQ-QGZVFWFLSA-N -1 0 349.390 3.577 20 0 EHADRM O=C([O-])c1cccc(OCCOc2ccc(Cl)c(F)c2F)c1 ZINC000396570079 972917970 /nfs/dbraw/zinc/91/79/70/972917970.db2.gz XUXLKORMFRTMMM-UHFFFAOYSA-N -1 0 328.698 3.774 20 0 EHADRM Cc1cccc(C)c1OCCC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000396600504 972920424 /nfs/dbraw/zinc/92/04/24/972920424.db2.gz DBIDEOFBLRZLRJ-HNNXBMFYSA-N -1 0 341.407 3.899 20 0 EHADRM COc1cc(Cl)ccc1C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000396609562 972921825 /nfs/dbraw/zinc/92/18/25/972921825.db2.gz GRRIWMSSGQRNOB-JTQLQIEISA-N -1 0 333.771 3.789 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)CCOc2ccccc2Cl)cc1 ZINC000396612142 972923192 /nfs/dbraw/zinc/92/31/92/972923192.db2.gz HNONFYMSRDFBES-LBPRGKRZSA-N -1 0 347.798 3.936 20 0 EHADRM COc1cc(NC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cc(OC)c1 ZINC000396658781 972931755 /nfs/dbraw/zinc/93/17/55/972931755.db2.gz XKBABUBXPWLGOP-NSHDSACASA-N -1 0 344.367 3.536 20 0 EHADRM O=C([O-])C1(c2noc(-c3cc(Cl)cc(Cl)c3F)n2)CCC1 ZINC001605961705 972934729 /nfs/dbraw/zinc/93/47/29/972934729.db2.gz OFSHQZOVBSJANS-UHFFFAOYSA-N -1 0 331.130 3.689 20 0 EHADRM O=C([O-])C1(c2noc(C3(Cc4cccc(Cl)c4)CC3)n2)CCC1 ZINC001605963566 972938423 /nfs/dbraw/zinc/93/84/23/972938423.db2.gz FKPAMVRPBRKALG-UHFFFAOYSA-N -1 0 332.787 3.504 20 0 EHADRM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21 ZINC001603383147 972976385 /nfs/dbraw/zinc/97/63/85/972976385.db2.gz OADIBGAANRCDOL-PEZLKRJXSA-N -1 0 341.451 3.739 20 0 EHADRM Cc1ccc(C)n1-c1sccc1C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001605262384 973037520 /nfs/dbraw/zinc/03/75/20/973037520.db2.gz GFGMDDVNJUFPHA-UHFFFAOYSA-N -1 0 341.392 3.501 20 0 EHADRM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Nc2ccnc(C(=O)[O-])c2)o1 ZINC001605263584 973043146 /nfs/dbraw/zinc/04/31/46/973043146.db2.gz YGADGWDCMLCMNF-XHDPSFHLSA-N -1 0 343.383 3.686 20 0 EHADRM Cc1ccc(CNC(=O)N2CCC[C@@H](CC(=O)[O-])C2)c2ccccc12 ZINC001605273333 973061512 /nfs/dbraw/zinc/06/15/12/973061512.db2.gz BLEMLBOTVQDXAY-HNNXBMFYSA-N -1 0 340.423 3.545 20 0 EHADRM Cc1ccc2oc(CNC(=O)N3CCCC[C@@H]3CCC(=O)[O-])cc2c1 ZINC001605315119 973144982 /nfs/dbraw/zinc/14/49/82/973144982.db2.gz UCGTXIHXODGJNL-OAHLLOKOSA-N -1 0 344.411 3.670 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1Cc1c(Cl)cncc1Cl ZINC001606055912 973164935 /nfs/dbraw/zinc/16/49/35/973164935.db2.gz DAXXSFBBGCLGIJ-HNNXBMFYSA-N -1 0 337.206 3.572 20 0 EHADRM Cc1cccc([C@H](NC(=O)Nc2ncc(C(C)(C)C)s2)C(=O)[O-])c1 ZINC001605327519 973168860 /nfs/dbraw/zinc/16/88/60/973168860.db2.gz DFVJWJRFCSTKDR-ZDUSSCGKSA-N -1 0 347.440 3.696 20 0 EHADRM Cc1cc2cc(NC(=O)N[C@@H](C(=O)[O-])c3cccc(C)c3)ccc2[nH]1 ZINC001605327708 973171140 /nfs/dbraw/zinc/17/11/40/973171140.db2.gz GBMAISFNIWRNOI-QGZVFWFLSA-N -1 0 337.379 3.732 20 0 EHADRM Cc1cccc([C@@H](NC(=O)[C@H](C)Sc2ccc(F)cc2)C(=O)[O-])c1 ZINC001605328707 973187218 /nfs/dbraw/zinc/18/72/18/973187218.db2.gz PTMOHSWFCQMHMC-BLLLJJGKSA-N -1 0 347.411 3.557 20 0 EHADRM Cc1cccc([C@H]2CCN(C(=O)Nc3ccccc3CC(=O)[O-])C2)c1 ZINC001605335196 973215186 /nfs/dbraw/zinc/21/51/86/973215186.db2.gz DTMMGOPIBBNJDH-KRWDZBQOSA-N -1 0 338.407 3.644 20 0 EHADRM Cc1cccc(Cl)c1CC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001605339497 973226206 /nfs/dbraw/zinc/22/62/06/973226206.db2.gz NFTIRLMBAWYCGB-AWEZNQCLSA-N -1 0 325.836 3.587 20 0 EHADRM Cc1cccc(OCCCNC(=O)C2(C(=O)[O-])CCCCCC2)c1C ZINC001605345413 973241544 /nfs/dbraw/zinc/24/15/44/973241544.db2.gz XPVRTIRSBIWMPN-UHFFFAOYSA-N -1 0 347.455 3.614 20 0 EHADRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)CCC1CC1 ZINC000400810029 973318118 /nfs/dbraw/zinc/31/81/18/973318118.db2.gz WONVCWCKOMJFMT-UHFFFAOYSA-N -1 0 326.190 3.584 20 0 EHADRM C[C@@H]1CO[C@@H](C(=O)Nc2scc(-c3ccsc3)c2C(=O)[O-])C1 ZINC001603473480 973351562 /nfs/dbraw/zinc/35/15/62/973351562.db2.gz MYXLQFCPEJSQQC-GZMMTYOYSA-N -1 0 337.422 3.538 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cscc1C(F)(F)F ZINC001606117971 973354092 /nfs/dbraw/zinc/35/40/92/973354092.db2.gz FQTZZEPAUMZMJB-VIFPVBQESA-N -1 0 335.347 3.626 20 0 EHADRM CC[C@H](CNc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001603574994 973716932 /nfs/dbraw/zinc/71/69/32/973716932.db2.gz XTWMFDABYAURAM-CYBMUJFWSA-N -1 0 345.374 3.536 20 0 EHADRM O=C([O-])c1sccc1NC(=O)c1cscc1Br ZINC000404781867 973749476 /nfs/dbraw/zinc/74/94/76/973749476.db2.gz WJZHIZLGHRNIOE-UHFFFAOYSA-N -1 0 332.200 3.523 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2cscc2Br)c1 ZINC000404931344 973756014 /nfs/dbraw/zinc/75/60/14/973756014.db2.gz JJLGVOKGRRETFR-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM O=C([O-])Cn1cc(NCc2cc(Cl)ccc2OC2CCCC2)cn1 ZINC001606341371 973780050 /nfs/dbraw/zinc/78/00/50/973780050.db2.gz STQXPAWZLMRCSL-UHFFFAOYSA-N -1 0 349.818 3.555 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc3ccccc3nc2Cl)C1 ZINC001603602132 973863219 /nfs/dbraw/zinc/86/32/19/973863219.db2.gz QZLQPWRWFKWRHX-GOSISDBHSA-N -1 0 346.814 3.605 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cccc(OC3CCCC3)c2)C1 ZINC001603602166 973864571 /nfs/dbraw/zinc/86/45/71/973864571.db2.gz SKBQTXMGJBLXKS-HXUWFJFHSA-N -1 0 345.439 3.725 20 0 EHADRM CCC1(CC)Oc2ccc(NC(=O)[C@@]3(C(=O)[O-])CC=CCC3)cc2O1 ZINC001603611690 973890310 /nfs/dbraw/zinc/89/03/10/973890310.db2.gz MDBMUQDMGRLJEW-GOSISDBHSA-N -1 0 345.395 3.724 20 0 EHADRM CCC1(c2ccc(Cl)cc2)CCN(C(=O)[C@@H](C(=O)[O-])C2CC2)CC1 ZINC001603616899 973896399 /nfs/dbraw/zinc/89/63/99/973896399.db2.gz FXTBSTIVQLNTDQ-INIZCTEOSA-N -1 0 349.858 3.721 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2nc3cc(C(F)(F)F)ccc3[nH]2)cc1 ZINC001606478688 973958310 /nfs/dbraw/zinc/95/83/10/973958310.db2.gz OSDXRFVSQGLCFU-UHFFFAOYSA-N -1 0 349.268 3.532 20 0 EHADRM O=C(Nc1ccc(F)c(F)c1[O-])C1CC(OCc2ccccc2)C1 ZINC000654706276 1014157767 /nfs/dbraw/zinc/15/77/67/1014157767.db2.gz AUPSCADBRIQLFB-UHFFFAOYSA-N -1 0 333.334 3.604 20 0 EHADRM COc1ccc(CCCCCC(=O)Nc2ccc(C(=O)[O-])cn2)cc1 ZINC001604781840 974013248 /nfs/dbraw/zinc/01/32/48/974013248.db2.gz DOSVHJLAPSATQN-UHFFFAOYSA-N -1 0 342.395 3.530 20 0 EHADRM CCCn1ccc2ccc(NC(=O)NCCC(C)(C)C(=O)[O-])cc21 ZINC000424376618 974022218 /nfs/dbraw/zinc/02/22/18/974022218.db2.gz CEEKSAILHKPFEC-UHFFFAOYSA-N -1 0 331.416 3.674 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N1CC2(CCC2)[C@H]1c1ccncc1 ZINC001606522872 974024453 /nfs/dbraw/zinc/02/44/53/974024453.db2.gz NFNDXYOVVGNNFA-MRXNPFEDSA-N -1 0 337.379 3.539 20 0 EHADRM CC[C@@H](NC(=O)NCCC(C)(C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000424388734 974024773 /nfs/dbraw/zinc/02/47/73/974024773.db2.gz BTGAFERCCLZRTD-CYBMUJFWSA-N -1 0 326.824 3.591 20 0 EHADRM CC(C)(CCNC(=O)N[C@@H]1CCCc2sc(Cl)cc21)C(=O)[O-] ZINC000424399702 974028061 /nfs/dbraw/zinc/02/80/61/974028061.db2.gz RFGALDYPAUAWAE-SNVBAGLBSA-N -1 0 344.864 3.579 20 0 EHADRM CC(C)(CCNC(=O)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2)C(=O)[O-] ZINC000424399121 974028431 /nfs/dbraw/zinc/02/84/31/974028431.db2.gz BXWUMKCLQIGZTI-BJWYYQGGSA-N -1 0 344.455 3.608 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000425239407 974039253 /nfs/dbraw/zinc/03/92/53/974039253.db2.gz KMMOUYMZKAUCBD-HNNXBMFYSA-N -1 0 341.407 3.666 20 0 EHADRM C[C@@H]1CCCC[C@@H]1C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC000425236800 974039377 /nfs/dbraw/zinc/03/93/77/974039377.db2.gz GDIQTCHYTKUFQI-ISWURRPUSA-N -1 0 349.858 3.793 20 0 EHADRM CCn1nc(CN[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)c2ccccc21 ZINC000426756498 974045387 /nfs/dbraw/zinc/04/53/87/974045387.db2.gz KKOHGJLIUOSZOE-LJQANCHMSA-N -1 0 337.423 3.589 20 0 EHADRM COCc1cc(NC(=O)c2oc3ccccc3c2C)cc(C(=O)[O-])c1 ZINC000427665767 974052332 /nfs/dbraw/zinc/05/23/32/974052332.db2.gz YNXFBYTZNZFWSV-UHFFFAOYSA-N -1 0 339.347 3.838 20 0 EHADRM CCc1ccc(CCC(=O)Nc2cc(COC)cc(C(=O)[O-])c2)cc1 ZINC000427689449 974055303 /nfs/dbraw/zinc/05/53/03/974055303.db2.gz PAYTWIITWASYGN-UHFFFAOYSA-N -1 0 341.407 3.665 20 0 EHADRM O=C([O-])CN(CCc1ccccc1)C(=O)c1cc2ccccc2s1 ZINC000427729439 974057901 /nfs/dbraw/zinc/05/79/01/974057901.db2.gz BKTDECFHAZHING-UHFFFAOYSA-N -1 0 339.416 3.671 20 0 EHADRM CC(C)Cc1cc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc(=O)[nH]1 ZINC000431358451 974062989 /nfs/dbraw/zinc/06/29/89/974062989.db2.gz MHUJPLWUCCDUPJ-UHFFFAOYSA-N -1 0 348.786 3.590 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)c1ccc(Cl)c(F)c1)C(=O)[O-] ZINC000431443548 974064127 /nfs/dbraw/zinc/06/41/27/974064127.db2.gz FXDAKQPBIPORKA-GFCCVEGCSA-N -1 0 349.789 3.842 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)COc2cccc(Cl)c2)cc1)C(=O)[O-] ZINC000431993404 974082114 /nfs/dbraw/zinc/08/21/14/974082114.db2.gz IILPPKHPTQJUNT-GFCCVEGCSA-N -1 0 347.798 3.621 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2cccc(-n3cccc3)c2)cc1)C(=O)[O-] ZINC000432007520 974084073 /nfs/dbraw/zinc/08/40/73/974084073.db2.gz NQNVUYPEPXGVSC-HNNXBMFYSA-N -1 0 348.402 3.993 20 0 EHADRM CCC(C)(C)[C@@H]1CCCN1C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000432092247 974085711 /nfs/dbraw/zinc/08/57/11/974085711.db2.gz XPJONHGLCLWLHC-INIZCTEOSA-N -1 0 347.455 3.808 20 0 EHADRM COc1cccc(Cl)c1CC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000439943720 974114447 /nfs/dbraw/zinc/11/44/47/974114447.db2.gz JVGOLKWFCZTWMO-UHFFFAOYSA-N -1 0 347.798 3.547 20 0 EHADRM COc1cccc(Sc2ccc(NC3CC(C(=O)[O-])C3)nc2)c1 ZINC001604874880 974125350 /nfs/dbraw/zinc/12/53/50/974125350.db2.gz OBVTVTIYUPUBBK-UHFFFAOYSA-N -1 0 330.409 3.517 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N2CCC[C@H]2c2cccc(Cl)c2)cc1 ZINC000448986263 974126856 /nfs/dbraw/zinc/12/68/56/974126856.db2.gz BVOFIUMOYONXFY-KRWDZBQOSA-N -1 0 343.810 3.944 20 0 EHADRM Cc1cccc([C@H](C)C(=O)N[C@@](C)(CC(=O)[O-])c2cccc(F)c2)c1 ZINC000448986996 974127013 /nfs/dbraw/zinc/12/70/13/974127013.db2.gz ABWLYCKOOMZQHG-XOBRGWDASA-N -1 0 343.398 3.744 20 0 EHADRM CCN(C(=O)Nc1ccc(CCC(F)(F)F)cc1)[C@H](C)C(=O)[O-] ZINC001603715486 974136021 /nfs/dbraw/zinc/13/60/21/974136021.db2.gz HBGGEDLSDBWPGK-SNVBAGLBSA-N -1 0 332.322 3.508 20 0 EHADRM CCN(C(=O)Nc1ccc(SC(F)(F)F)cc1)[C@@H](C)C(=O)[O-] ZINC001603715880 974140732 /nfs/dbraw/zinc/14/07/32/974140732.db2.gz MBWZCQNABKJNKU-QMMMGPOBSA-N -1 0 336.335 3.625 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000450522651 974147125 /nfs/dbraw/zinc/14/71/25/974147125.db2.gz YYXTVQVBYGDGHR-UHFFFAOYSA-N -1 0 328.412 3.550 20 0 EHADRM C[C@@H](Oc1ccc(C(=O)N(C)CCCC(=O)[O-])cc1)c1ccccc1 ZINC000455757954 974151839 /nfs/dbraw/zinc/15/18/39/974151839.db2.gz RHEHYLLHWKEIJC-OAHLLOKOSA-N -1 0 341.407 3.763 20 0 EHADRM C[C@H]1CCC[C@H](C(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)C1 ZINC000455867483 974156165 /nfs/dbraw/zinc/15/61/65/974156165.db2.gz OVJTXPNYWOVQOT-YJBOKZPZSA-N -1 0 343.467 3.992 20 0 EHADRM C[C@@H](NC(=O)c1cccc(C(F)F)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000455894609 974164785 /nfs/dbraw/zinc/16/47/85/974164785.db2.gz CBEZDXBPDSXASB-MLGOLLRUSA-N -1 0 347.361 3.686 20 0 EHADRM Cc1cccc2c(CC(=O)Nc3cc(C(=O)[O-])c(C)cc3C)c[nH]c21 ZINC000472018900 974200586 /nfs/dbraw/zinc/20/05/86/974200586.db2.gz XICCSDWQMJAYQE-UHFFFAOYSA-N -1 0 336.391 3.973 20 0 EHADRM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000478855799 974212959 /nfs/dbraw/zinc/21/29/59/974212959.db2.gz MSYKYXCYFWVTJA-BMLIUANNSA-N -1 0 345.345 3.716 20 0 EHADRM CC[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000478855199 974213146 /nfs/dbraw/zinc/21/31/46/974213146.db2.gz LWKDUCXECFXNBH-CYBMUJFWSA-N -1 0 329.371 3.965 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1cc(F)ccc1SCC(F)F ZINC000520838074 974341803 /nfs/dbraw/zinc/34/18/03/974341803.db2.gz PCEMOEFWKASGSK-QMMMGPOBSA-N -1 0 335.347 3.622 20 0 EHADRM CCOc1cccc(/C=C/C(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC001603876116 974378978 /nfs/dbraw/zinc/37/89/78/974378978.db2.gz XFKXIFSFPKXHLH-RMKNXTFCSA-N -1 0 329.327 3.575 20 0 EHADRM CC(C)C[C@@H](CNC(=O)[C@H](c1cccc(Cl)c1)C(C)C)C(=O)[O-] ZINC000538503735 974388957 /nfs/dbraw/zinc/38/89/57/974388957.db2.gz IFKOVPNXBUSVDQ-HOCLYGCPSA-N -1 0 339.863 3.943 20 0 EHADRM CC(C)(C)c1ccc(OCCCC(=O)NC2(CC(=O)[O-])CCC2)cc1 ZINC000538506433 974389691 /nfs/dbraw/zinc/38/96/91/974389691.db2.gz WUBXENFMIVAZBW-UHFFFAOYSA-N -1 0 347.455 3.657 20 0 EHADRM Cc1ccc2[nH]c(C(=O)NCC3(CC(=O)[O-])CCCCC3)cc2c1 ZINC000538577419 974392115 /nfs/dbraw/zinc/39/21/15/974392115.db2.gz UXXOOLARHPTYGL-UHFFFAOYSA-N -1 0 328.412 3.631 20 0 EHADRM CCOc1ccc(OC(C)(C)C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000540674372 974405718 /nfs/dbraw/zinc/40/57/18/974405718.db2.gz PCRDOGBMAFQTNX-UHFFFAOYSA-N -1 0 343.379 3.580 20 0 EHADRM CC(C)c1ccc(CCC(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1 ZINC000543711064 974419999 /nfs/dbraw/zinc/41/99/99/974419999.db2.gz MBBLPISLWUXMPB-UHFFFAOYSA-N -1 0 341.407 3.845 20 0 EHADRM CCc1c(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cnn1C1CCCC1 ZINC001603966598 974440318 /nfs/dbraw/zinc/44/03/18/974440318.db2.gz BNJYGCQTVCYNDY-OAHLLOKOSA-N -1 0 349.475 3.570 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])cc1F)[C@@H]1CCCc2ccccc21 ZINC000548150820 974453423 /nfs/dbraw/zinc/45/34/23/974453423.db2.gz JVBJZYHEJWNQAL-QGZVFWFLSA-N -1 0 327.355 3.674 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC/C=C/c2ccc(F)cc2)c1OC ZINC000551422433 974477033 /nfs/dbraw/zinc/47/70/33/974477033.db2.gz BJARJMYVGZCYMF-ONEGZZNKSA-N -1 0 331.343 3.666 20 0 EHADRM Cc1cc(-c2csc(NC(=O)c3ccc(C(=O)[O-])cc3)n2)c(C)o1 ZINC000556382911 974488601 /nfs/dbraw/zinc/48/86/01/974488601.db2.gz IALCAXXLNQPZNL-UHFFFAOYSA-N -1 0 342.376 3.970 20 0 EHADRM CCC[C@@H]1CN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CCO1 ZINC000563279904 974526234 /nfs/dbraw/zinc/52/62/34/974526234.db2.gz IABMKKQQPQFVAK-RISCZKNCSA-N -1 0 332.227 3.620 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000563423935 974531090 /nfs/dbraw/zinc/53/10/90/974531090.db2.gz ORBGGOYFCMROSV-SUMWQHHRSA-N -1 0 328.412 3.722 20 0 EHADRM Cc1cc(CN2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)oc1C(=O)[O-] ZINC000564091827 974543778 /nfs/dbraw/zinc/54/37/78/974543778.db2.gz DDMRQKZIALTBSM-MLGOLLRUSA-N -1 0 349.814 3.902 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2ccc3c(c2)C(=O)CCCC3)CCCC1 ZINC000564649504 974550254 /nfs/dbraw/zinc/55/02/54/974550254.db2.gz HJSVPXHIOVKDBY-UHFFFAOYSA-N -1 0 343.423 3.959 20 0 EHADRM CC(C)c1nnc(CN2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])s1 ZINC000564584950 974550797 /nfs/dbraw/zinc/55/07/97/974550797.db2.gz IWEXHWJMOCBBNF-ZIAGYGMSSA-N -1 0 337.489 3.517 20 0 EHADRM O=C([O-])[C@]1(C(F)(F)F)CCN(c2ncc(-c3ccccc3)s2)C1 ZINC000565042369 974565535 /nfs/dbraw/zinc/56/55/35/974565535.db2.gz YIDCCSGHUXSVAN-AWEZNQCLSA-N -1 0 342.342 3.654 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000565226493 974575380 /nfs/dbraw/zinc/57/53/80/974575380.db2.gz XSXQARATYNKFFL-AMIZOPFISA-N -1 0 337.725 3.561 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000565226494 974575595 /nfs/dbraw/zinc/57/55/95/974575595.db2.gz XSXQARATYNKFFL-ISVAXAHUSA-N -1 0 337.725 3.561 20 0 EHADRM O=C([O-])CCC(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000565929621 974591751 /nfs/dbraw/zinc/59/17/51/974591751.db2.gz WDDFDCGDAWNYMW-QGZVFWFLSA-N -1 0 335.762 3.550 20 0 EHADRM COc1ccccc1-c1nc(CN([C@@H](C)C(=O)[O-])C2CCC2)cs1 ZINC000566510240 974616254 /nfs/dbraw/zinc/61/62/54/974616254.db2.gz MMROSVJIYAPSDA-LBPRGKRZSA-N -1 0 346.452 3.646 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCCc1ccc(F)cc1)c1ccc(F)cc1 ZINC000566926511 974624550 /nfs/dbraw/zinc/62/45/50/974624550.db2.gz MRYIHWMQTMQSSR-KRWDZBQOSA-N -1 0 347.361 3.620 20 0 EHADRM Cc1ccc(CN[C@H](C(=O)[O-])c2ccccc2Br)s1 ZINC000567560546 974637040 /nfs/dbraw/zinc/63/70/40/974637040.db2.gz PPAXBIIUXBTPJT-ZDUSSCGKSA-N -1 0 340.242 3.735 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N3CCc4ccsc4C3)c12 ZINC000567978349 974651207 /nfs/dbraw/zinc/65/12/07/974651207.db2.gz BMIHKDYJIHQNKL-UHFFFAOYSA-N -1 0 345.449 3.631 20 0 EHADRM Cc1ccccc1[C@H](C(=O)[O-])N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000568066330 974659604 /nfs/dbraw/zinc/65/96/04/974659604.db2.gz XLPRCPFQDHLWSS-ZOCIIQOWSA-N -1 0 343.398 3.722 20 0 EHADRM O=C([O-])[C@@H]1Cc2ccccc2CN1Cc1csc(C2CCCC2)n1 ZINC000568068869 974660675 /nfs/dbraw/zinc/66/06/75/974660675.db2.gz UXFOACXVYBJMMI-KRWDZBQOSA-N -1 0 342.464 3.812 20 0 EHADRM Cc1cc(OC(C)C)ccc1NC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000568354206 974667841 /nfs/dbraw/zinc/66/78/41/974667841.db2.gz WBIYCFPONSVYCL-UHFFFAOYSA-N -1 0 327.380 3.662 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cccc3c2OCC3(C)C)c1 ZINC000569623854 974695534 /nfs/dbraw/zinc/69/55/34/974695534.db2.gz QFKBQCCSJZDKDE-GFCCVEGCSA-N -1 0 339.391 3.797 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1c1nc(-c2cccs2)nc2ccccc21 ZINC000569609385 974695608 /nfs/dbraw/zinc/69/56/08/974695608.db2.gz YUQHGVPDMPFECP-VXGBXAGGSA-N -1 0 339.420 3.658 20 0 EHADRM O=C([O-])c1ccc(CN2CCC[C@H]2c2nc3ccccc3s2)o1 ZINC000570402864 974710832 /nfs/dbraw/zinc/71/08/32/974710832.db2.gz CPFOXYQLXKRWCP-ZDUSSCGKSA-N -1 0 328.393 3.925 20 0 EHADRM O=C([O-])c1ccoc1CN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000574213474 974778515 /nfs/dbraw/zinc/77/85/15/974778515.db2.gz USKKJPZCLSFILB-CYBMUJFWSA-N -1 0 328.393 3.925 20 0 EHADRM CN(Cc1csc(C(=O)[O-])c1)Cc1nc(C(F)(F)F)cs1 ZINC000574762907 974788205 /nfs/dbraw/zinc/78/82/05/974788205.db2.gz APNZCQJPWLSBHE-UHFFFAOYSA-N -1 0 336.360 3.554 20 0 EHADRM O=C([O-])c1ccc(CN2CCO[C@H](c3cccc(Cl)c3)C2)c(F)c1 ZINC000574922117 974791942 /nfs/dbraw/zinc/79/19/42/974791942.db2.gz FIVPFPDOHPWSPC-KRWDZBQOSA-N -1 0 349.789 3.751 20 0 EHADRM COc1cccc(Oc2ccc(NC(=O)C[C@H](C)CC(=O)[O-])cc2)c1 ZINC000574926806 974792096 /nfs/dbraw/zinc/79/20/96/974792096.db2.gz NPZYJDCJUIBHRK-ZDUSSCGKSA-N -1 0 343.379 3.927 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@H]2CCCc3ccccc32)cc1C ZINC000107963408 1014219490 /nfs/dbraw/zinc/21/94/90/1014219490.db2.gz AJGCALHRNFTCMT-CYFREDJKSA-N -1 0 341.476 3.605 20 0 EHADRM CC(C)C[C@@H](C)n1nccc1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000576092336 974806866 /nfs/dbraw/zinc/80/68/66/974806866.db2.gz KAECVVDCWJJFLB-CYBMUJFWSA-N -1 0 344.415 3.761 20 0 EHADRM COCc1ccc([C@H]2CCC[N@@H+]2[C@@H](C(=O)[O-])c2ccccc2C)o1 ZINC000576046263 974806956 /nfs/dbraw/zinc/80/69/56/974806956.db2.gz GGEXVHJSEHLVKL-SJLPKXTDSA-N -1 0 329.396 3.697 20 0 EHADRM COc1cc(-c2cc(F)ccc2OC[C@H]2CCCO2)ccc1C(=O)[O-] ZINC000577887028 974844298 /nfs/dbraw/zinc/84/42/98/974844298.db2.gz AZPHNSCCOXEUIH-CQSZACIVSA-N -1 0 346.354 3.757 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)NC[C@@H](CC2CC2)C(=O)[O-])cc1 ZINC000579364234 974873844 /nfs/dbraw/zinc/87/38/44/974873844.db2.gz YXKDXLKLTRJCCM-OAHLLOKOSA-N -1 0 343.448 3.954 20 0 EHADRM O=C([O-])c1cccc(OCCN(Cc2ccc(F)cc2F)C2CC2)c1 ZINC000580652487 974898129 /nfs/dbraw/zinc/89/81/29/974898129.db2.gz GRFPUMSSYUTUIO-UHFFFAOYSA-N -1 0 347.361 3.706 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CCCC[C@H]2C2CC2)C[C@@H]1c1ccccc1 ZINC000580716158 974899015 /nfs/dbraw/zinc/89/90/15/974899015.db2.gz AGPMSUMMLKJUNM-INDMIFKZSA-N -1 0 341.451 3.530 20 0 EHADRM CC1CC(C(=O)N2CCC(CC(=O)[O-])CC2)(c2cccc(Cl)c2)C1 ZINC000581618446 974913145 /nfs/dbraw/zinc/91/31/45/974913145.db2.gz CCRCGJRPANVXTJ-UHFFFAOYSA-N -1 0 349.858 3.721 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-] ZINC000582768770 974931307 /nfs/dbraw/zinc/93/13/07/974931307.db2.gz SOFLOABBJIHNDG-CYBMUJFWSA-N -1 0 346.452 3.690 20 0 EHADRM O=C([O-])[C@@H](c1ccc(F)cc1)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000584535018 974956582 /nfs/dbraw/zinc/95/65/82/974956582.db2.gz NRKHOTTXZKRHOB-DLBZAZTESA-N -1 0 349.789 3.678 20 0 EHADRM Cc1ccc(C)c(S([O-])=CC(=O)N[C@H](c2ccccc2)C(C)C)c1 ZINC000107964777 1014226275 /nfs/dbraw/zinc/22/62/75/1014226275.db2.gz VZARBQRBIJDMLK-RDPSFJRHSA-N -1 0 343.492 3.925 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000621558398 975031782 /nfs/dbraw/zinc/03/17/82/975031782.db2.gz FAWAAHMXKRFIHJ-LBPRGKRZSA-N -1 0 343.810 3.759 20 0 EHADRM O=C([O-])[C@H]1CCCCCN1C(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000621568063 975035422 /nfs/dbraw/zinc/03/54/22/975035422.db2.gz LCLHDVLHNTZFMV-UONOGXRCSA-N -1 0 343.345 3.578 20 0 EHADRM COc1cc(C(=O)Nc2cccc(C(=O)[O-])c2C)ccc1OC(C)C ZINC000621575445 975037634 /nfs/dbraw/zinc/03/76/34/975037634.db2.gz QLQJYMOKYZKDGW-UHFFFAOYSA-N -1 0 343.379 3.741 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000621579512 975040072 /nfs/dbraw/zinc/04/00/72/975040072.db2.gz NIHLFEKHVRKUQN-UHFFFAOYSA-N -1 0 337.419 3.538 20 0 EHADRM CCCC(O)(CCC)CC(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000621589317 975046912 /nfs/dbraw/zinc/04/69/12/975046912.db2.gz SRJSXAXZLIJXRR-IRXDYDNUSA-N -1 0 347.455 3.525 20 0 EHADRM CC[C@@H](CC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1)c1ccc(C)cc1 ZINC000621610731 975059336 /nfs/dbraw/zinc/05/93/36/975059336.db2.gz OMONGYRFALNSRE-OLZOCXBDSA-N -1 0 346.452 3.911 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000621611347 975060152 /nfs/dbraw/zinc/06/01/52/975060152.db2.gz ASAZGCQMTZDGAR-STQMWFEESA-N -1 0 346.452 3.596 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000621610989 975060184 /nfs/dbraw/zinc/06/01/84/975060184.db2.gz UFZXYXZKIAWWJN-NWDGAFQWSA-N -1 0 332.425 3.521 20 0 EHADRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000621707307 975063899 /nfs/dbraw/zinc/06/38/99/975063899.db2.gz SMDQXJJSMQUWBA-NSHDSACASA-N -1 0 336.819 3.606 20 0 EHADRM Cc1cc(C(F)F)oc1C(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000630096130 975097910 /nfs/dbraw/zinc/09/79/10/975097910.db2.gz HSMVXSOHTFWUPE-UHFFFAOYSA-N -1 0 337.322 3.643 20 0 EHADRM CCOc1ccc([C@@H]2CCCN2C(=O)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC000630104311 975102913 /nfs/dbraw/zinc/10/29/13/975102913.db2.gz LHPYMVGFWFNIOW-HNNXBMFYSA-N -1 0 343.379 3.662 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)CC1CCC(F)(F)CC1)c1ccccc1 ZINC000630130485 975115665 /nfs/dbraw/zinc/11/56/65/975115665.db2.gz KCVKJAHAWXTRDY-WBMJQRKESA-N -1 0 339.382 3.780 20 0 EHADRM O=C([O-])C1CCC(NC(=O)Cc2cc(Cl)cc3ccccc32)CC1 ZINC000630134461 975119307 /nfs/dbraw/zinc/11/93/07/975119307.db2.gz BKOXCOLKYKLORQ-UHFFFAOYSA-N -1 0 345.826 3.795 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1C(=O)NCCCCC(=O)[O-] ZINC000630136792 975121263 /nfs/dbraw/zinc/12/12/63/975121263.db2.gz HDVWOBRGDAOMOQ-UHFFFAOYSA-N -1 0 327.380 3.772 20 0 EHADRM CC[C@H]1CCCC[C@H]1C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000630140614 975124454 /nfs/dbraw/zinc/12/44/54/975124454.db2.gz HTRPIVPPCBIVIW-FUHWJXTLSA-N -1 0 347.455 3.763 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)C1 ZINC000630155405 975132703 /nfs/dbraw/zinc/13/27/03/975132703.db2.gz AEDMPPWGXBFEIA-DJIMGWMZSA-N -1 0 347.430 3.669 20 0 EHADRM Cc1ccc(C)c(S([O-])=CC(=O)N[C@@H](C)c2ccccc2Cl)c1 ZINC000107966700 1014238566 /nfs/dbraw/zinc/23/85/66/1014238566.db2.gz NGCQDBUCQWSTCD-PSLXWICFSA-N -1 0 349.883 3.942 20 0 EHADRM Cc1cc(C(F)F)oc1C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC000630177302 975143946 /nfs/dbraw/zinc/14/39/46/975143946.db2.gz FGUNNQPECZORKN-LLVKDONJSA-N -1 0 329.343 3.679 20 0 EHADRM Cc1cc(C(=O)N2CCc3ccc(Cl)cc3[C@H](C)C2)oc1C(=O)[O-] ZINC000630201629 975157770 /nfs/dbraw/zinc/15/77/70/975157770.db2.gz RDKBSDUIWWSOIS-LLVKDONJSA-N -1 0 347.798 3.742 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)c1ncc(C(=O)[O-])s1 ZINC000630218459 975164783 /nfs/dbraw/zinc/16/47/83/975164783.db2.gz DVMLSTVSVHVJGU-IACUBPJLSA-N -1 0 344.436 3.602 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)NCc2ccc(CC(=O)[O-])cc2)cc1 ZINC000630231500 975178631 /nfs/dbraw/zinc/17/86/31/975178631.db2.gz BCXLNBGUILSLBZ-OAHLLOKOSA-N -1 0 339.435 3.686 20 0 EHADRM O=C([O-])Cc1ccc(CNC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000630233695 975180724 /nfs/dbraw/zinc/18/07/24/975180724.db2.gz YSSODHSTYMBSBQ-RTBURBONSA-N -1 0 337.419 3.514 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC000630265611 975209311 /nfs/dbraw/zinc/20/93/11/975209311.db2.gz PJTMOSVANNSKLC-KBXCAEBGSA-N -1 0 347.455 3.586 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N(CCc1ccc(F)cc1)CC(C)C ZINC000630273039 975218029 /nfs/dbraw/zinc/21/80/29/975218029.db2.gz GLRYTZXSEQPIKM-UHFFFAOYSA-N -1 0 347.386 3.766 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)cc1 ZINC000630286073 975230286 /nfs/dbraw/zinc/23/02/86/975230286.db2.gz PRICRQICYHUFIW-IKGGRYGDSA-N -1 0 345.439 3.579 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC000630285901 975230462 /nfs/dbraw/zinc/23/04/62/975230462.db2.gz SYARQIMRFKQGGF-KEYYUXOJSA-N -1 0 340.423 3.500 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCC(c3cccc(Cl)c3)CC2)C1 ZINC000630296381 975235922 /nfs/dbraw/zinc/23/59/22/975235922.db2.gz BQZFKFBKDDEQKN-HZPDHXFCSA-N -1 0 349.858 3.937 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)CCc2ccc(F)cc2)cc1 ZINC000630327380 975254322 /nfs/dbraw/zinc/25/43/22/975254322.db2.gz FHJHXASPVWIBMP-DLBZAZTESA-N -1 0 327.355 3.585 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000630328208 975255639 /nfs/dbraw/zinc/25/56/39/975255639.db2.gz LIMJTBSHCPPJNQ-AFAVFJNCSA-N -1 0 341.382 3.831 20 0 EHADRM CC[C@@H](CC1CCCCC1)C(=O)Nc1c(C)nn(CCC(=O)[O-])c1C ZINC000630333076 975261713 /nfs/dbraw/zinc/26/17/13/975261713.db2.gz RWACQVHFJXZLON-INIZCTEOSA-N -1 0 349.475 3.910 20 0 EHADRM Cc1ccc(NC(=O)C[C@@H](C)CC(=O)[O-])cc1C(=O)c1ccccc1 ZINC000630341042 975263198 /nfs/dbraw/zinc/26/31/98/975263198.db2.gz KWKFRNOIMXASLI-CYBMUJFWSA-N -1 0 339.391 3.665 20 0 EHADRM CCCC(=O)Nc1ccc(Cl)c(NC(=O)C[C@H](C)CC(=O)[O-])c1 ZINC000634816591 975277571 /nfs/dbraw/zinc/27/75/71/975277571.db2.gz VAGPTJOICULOIY-JTQLQIEISA-N -1 0 340.807 3.518 20 0 EHADRM CC(=O)[C@@H](Sc1n[n-]c(=Nc2cccc(F)c2)s1)C(C)C ZINC000579711134 1014248876 /nfs/dbraw/zinc/24/88/76/1014248876.db2.gz DWNPNOADGCEMPJ-LBPRGKRZSA-N -1 0 325.434 3.548 20 0 EHADRM C[C@H](CNC(=O)CC(C)(C)CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000648342624 975382300 /nfs/dbraw/zinc/38/23/00/975382300.db2.gz BSTIILIGZZJBKD-LLVKDONJSA-N -1 0 345.361 3.816 20 0 EHADRM CC1(C)CCC[C@@H]1[C@@H]1CCN(C(=O)CCc2ccccc2C(=O)[O-])C1 ZINC000649256147 975395340 /nfs/dbraw/zinc/39/53/40/975395340.db2.gz SAJZYUHWSDOSDW-SJLPKXTDSA-N -1 0 343.467 3.992 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc3c(c2)CCC=C3)C1 ZINC000649364622 975408572 /nfs/dbraw/zinc/40/85/72/975408572.db2.gz FGBDCWPTXAXKIV-QGZVFWFLSA-N -1 0 327.424 3.609 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N[C@@H](C)c3ccccn3)c12 ZINC000649383108 975409884 /nfs/dbraw/zinc/40/98/84/975409884.db2.gz PLAPPQVUHOEATR-VIFPVBQESA-N -1 0 328.397 3.574 20 0 EHADRM Cc1sc([C@@H]2CCCN2c2ccnc(C(C)(C)C)n2)nc1C(=O)[O-] ZINC000649406218 975418390 /nfs/dbraw/zinc/41/83/90/975418390.db2.gz XJTIRGQOBXEUNE-NSHDSACASA-N -1 0 346.456 3.579 20 0 EHADRM Cc1cc(N2CCC[C@H](C(C)(C)C(=O)[O-])C2)nc(-c2cccs2)n1 ZINC000649405754 975418461 /nfs/dbraw/zinc/41/84/61/975418461.db2.gz LMOALIUCICTRQR-ZDUSSCGKSA-N -1 0 345.468 3.841 20 0 EHADRM CC(C)O[C@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccccc1 ZINC001591685998 975488505 /nfs/dbraw/zinc/48/85/05/975488505.db2.gz FHGORTMGGAVNDT-INIZCTEOSA-N -1 0 331.343 3.629 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC000652099217 975496537 /nfs/dbraw/zinc/49/65/37/975496537.db2.gz RITMCDRJDWNCTR-AWEZNQCLSA-N -1 0 337.847 3.526 20 0 EHADRM CC(C)O[C@@H](C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC001591686843 975499113 /nfs/dbraw/zinc/49/91/13/975499113.db2.gz UHYJMIUXGIWOEE-MLGOLLRUSA-N -1 0 332.352 3.748 20 0 EHADRM C[C@H]1CN(C(=O)CCc2ccccc2C(=O)[O-])CCc2ccccc21 ZINC000652122365 975508419 /nfs/dbraw/zinc/50/84/19/975508419.db2.gz SRRZWGHWFTYBTP-HNNXBMFYSA-N -1 0 337.419 3.506 20 0 EHADRM C[C@@H]1CN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)CC(C)(C)O1 ZINC000652401171 975523086 /nfs/dbraw/zinc/52/30/86/975523086.db2.gz PCJFKVKJUJPIAP-GFCCVEGCSA-N -1 0 346.452 3.508 20 0 EHADRM CC(C)OCC(=O)Nc1sc(C2CCCCC2)cc1C(=O)[O-] ZINC001591704421 975561667 /nfs/dbraw/zinc/56/16/67/975561667.db2.gz JNZVNWVDGUQAOC-UHFFFAOYSA-N -1 0 325.430 3.858 20 0 EHADRM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1cccc(CC(=O)[O-])c1 ZINC000653636325 975599325 /nfs/dbraw/zinc/59/93/25/975599325.db2.gz BQBZRJSAHUMVRF-UHFFFAOYSA-N -1 0 339.435 3.883 20 0 EHADRM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2cccc(CC(=O)[O-])c2)C1 ZINC000653641552 975609287 /nfs/dbraw/zinc/60/92/87/975609287.db2.gz PHSGHYGMPOAMIC-YJBOKZPZSA-N -1 0 337.419 3.640 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1cccc(CC(=O)[O-])c1 ZINC000653643071 975611105 /nfs/dbraw/zinc/61/11/05/975611105.db2.gz YIJLLMXXWOCPKD-IBGZPJMESA-N -1 0 339.435 3.715 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)CCc1c(Cl)cccc1Cl ZINC000655556771 975630037 /nfs/dbraw/zinc/63/00/37/975630037.db2.gz YIWZHZNHXYKXRK-NSHDSACASA-N -1 0 344.238 3.782 20 0 EHADRM Cc1nn(C(C)C)cc1C(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1 ZINC000656252071 975657686 /nfs/dbraw/zinc/65/76/86/975657686.db2.gz QPFTYGGRFZFDCK-INIZCTEOSA-N -1 0 349.475 3.706 20 0 EHADRM CCCOc1ccc(CN[C@H](C)c2ncc(C(=O)[O-])s2)c(C)c1 ZINC000656567253 975663856 /nfs/dbraw/zinc/66/38/56/975663856.db2.gz IWFKFYMWDAVMPO-GFCCVEGCSA-N -1 0 334.441 3.789 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(Cc2cccc(Cl)c2F)C1 ZINC000656758038 975686050 /nfs/dbraw/zinc/68/60/50/975686050.db2.gz VZUVHFKTBATXNR-ZJUUUORDSA-N -1 0 339.716 3.564 20 0 EHADRM O=C([O-])[C@@H]1CCN(Cc2nc(C(F)(F)F)cs2)[C@@H]2CCCC[C@@H]12 ZINC000656764689 975697135 /nfs/dbraw/zinc/69/71/35/975697135.db2.gz GVXVIBIBALBZPX-HBNTYKKESA-N -1 0 348.390 3.627 20 0 EHADRM CC(C)c1ccc2c(c1)CN(C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)CC2 ZINC000656851764 975706454 /nfs/dbraw/zinc/70/64/54/975706454.db2.gz QQBLERZAHJCTFJ-DLBZAZTESA-N -1 0 329.440 3.586 20 0 EHADRM O=C([O-])c1cnc(NC(CCC(F)(F)F)CCC(F)(F)F)nc1 ZINC000656785615 975706597 /nfs/dbraw/zinc/70/65/97/975706597.db2.gz YVDFTXFRBSGOJL-UHFFFAOYSA-N -1 0 345.243 3.640 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)C2CC3(C2)CCCCC3)cc1 ZINC000659117376 975713151 /nfs/dbraw/zinc/71/31/51/975713151.db2.gz BYSHCYNGZMEJPN-QGZVFWFLSA-N -1 0 345.439 3.688 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21)c1ccc(F)cc1 ZINC000659118098 975714550 /nfs/dbraw/zinc/71/45/50/975714550.db2.gz UDKOEYJRNAYMLT-HPFXQQBRSA-N -1 0 333.403 3.674 20 0 EHADRM CCC[C@H](C(=O)NC1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000659130334 975729364 /nfs/dbraw/zinc/72/93/64/975729364.db2.gz IXPZVUWDGJWEAI-BCLQGDPASA-N -1 0 337.847 3.983 20 0 EHADRM CC(C)OCc1ccccc1CN[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001591735910 975730340 /nfs/dbraw/zinc/73/03/40/975730340.db2.gz ZWZUDXBJYHGKAJ-LBPRGKRZSA-N -1 0 334.441 3.617 20 0 EHADRM CC(C)Oc1c(F)cc(NC(=O)Cc2ccc(C(=O)[O-])cc2)cc1F ZINC001591737115 975732857 /nfs/dbraw/zinc/73/28/57/975732857.db2.gz HLORGGQNTDUUPG-UHFFFAOYSA-N -1 0 349.333 3.631 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2Cc2ccccc2)C1 ZINC000659142398 975741992 /nfs/dbraw/zinc/74/19/92/975741992.db2.gz OHLXRJYCTSILJB-IPMKNSEASA-N -1 0 343.467 3.749 20 0 EHADRM CC(C)c1cccc(C(=O)N[C@H](C)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000659158175 975756545 /nfs/dbraw/zinc/75/65/45/975756545.db2.gz XJCBEHAHDXNYAK-CQSZACIVSA-N -1 0 341.407 3.764 20 0 EHADRM CC(C)c1cccc(C(=O)N(C)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000659158248 975756701 /nfs/dbraw/zinc/75/67/01/975756701.db2.gz YXDBFXPPBKJBGB-UHFFFAOYSA-N -1 0 327.380 3.550 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)[C@@H]2CCC[C@H]2Cc2ccccc2)s1 ZINC000659159098 975758078 /nfs/dbraw/zinc/75/80/78/975758078.db2.gz VJFLAXISMADVHV-GOEBONIOSA-N -1 0 343.448 3.722 20 0 EHADRM Cc1cc([C@@H](NC(=O)c2cccc(CC(=O)[O-])c2)C2CC2)ccc1F ZINC000659166750 975765818 /nfs/dbraw/zinc/76/58/18/975765818.db2.gz XDVKWNRKSKMFHT-IBGZPJMESA-N -1 0 341.382 3.642 20 0 EHADRM C[C@H](C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21)c1ccccc1 ZINC000659181548 975776758 /nfs/dbraw/zinc/77/67/58/975776758.db2.gz INSAWGSGPBTLEZ-KSSFIOAISA-N -1 0 337.419 3.725 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N1CC[C@@H](C2CCCCC2)C1 ZINC000659188981 975785822 /nfs/dbraw/zinc/78/58/22/975785822.db2.gz KWXKUIGCRRXZKF-QGZVFWFLSA-N -1 0 329.440 3.746 20 0 EHADRM C[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21)c1cccc(Cl)c1 ZINC000659192275 975790541 /nfs/dbraw/zinc/79/05/41/975790541.db2.gz FXTYGROWEOECJX-OSMBCOQSSA-N -1 0 349.858 3.935 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cccc(C3CC3)c2)[C@@H]2CCCC[C@H]12 ZINC000659195727 975798784 /nfs/dbraw/zinc/79/87/84/975798784.db2.gz YTAWHIVUMZLAOE-KZNAEPCWSA-N -1 0 327.424 3.670 20 0 EHADRM O=C([O-])c1occc1CNC(=O)C1(c2cccs2)CCCCC1 ZINC000659200118 975806877 /nfs/dbraw/zinc/80/68/77/975806877.db2.gz DLJMILVTBKDMAS-UHFFFAOYSA-N -1 0 333.409 3.558 20 0 EHADRM O=C([O-])c1occc1CNC(=O)C1CCC(c2ccccc2)CC1 ZINC000659199721 975807254 /nfs/dbraw/zinc/80/72/54/975807254.db2.gz AIQJBHUWQFRVNS-UHFFFAOYSA-N -1 0 327.380 3.568 20 0 EHADRM C[C@@](CCF)(NC(=O)CC(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000659210330 975822182 /nfs/dbraw/zinc/82/21/82/975822182.db2.gz QRIHXOYZXLWIOT-FQEVSTJZSA-N -1 0 343.398 3.528 20 0 EHADRM CC[C@@H]1CCC[C@H](C)N1C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000659233466 975842412 /nfs/dbraw/zinc/84/24/12/975842412.db2.gz WSZXNHGBEVLAEE-GOEBONIOSA-N -1 0 333.428 3.560 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NCC1C(C)(C)C1(C)C ZINC001591766935 975872281 /nfs/dbraw/zinc/87/22/81/975872281.db2.gz AUIWQQLSFGBAAV-UHFFFAOYSA-N -1 0 348.443 3.976 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N[C@H]1CCCC1(C)C ZINC001591767160 975877020 /nfs/dbraw/zinc/87/70/20/975877020.db2.gz IJDXWISFTRIHSH-HNNXBMFYSA-N -1 0 334.416 3.872 20 0 EHADRM CCOc1ccc(CN(CC(=O)[O-])[C@H](CC)c2ccccc2)nc1 ZINC000659793287 975881990 /nfs/dbraw/zinc/88/19/90/975881990.db2.gz LUVIHMYLPSJVIJ-GOSISDBHSA-N -1 0 328.412 3.518 20 0 EHADRM CC(C)Sc1ccc(Cl)cc1NC(=O)NCC1(C(=O)[O-])CC1 ZINC000663344912 975945510 /nfs/dbraw/zinc/94/55/10/975945510.db2.gz DPYNTUJXGZRGTO-UHFFFAOYSA-N -1 0 342.848 3.827 20 0 EHADRM CC(C)Oc1ccc(NC(=O)CC2CC(F)(F)C2)c(C(=O)[O-])c1 ZINC001591780692 975946517 /nfs/dbraw/zinc/94/65/17/975946517.db2.gz MRQUQTDZWVENAO-UHFFFAOYSA-N -1 0 327.327 3.546 20 0 EHADRM CC(C)Oc1ccc(NC(=O)c2coc(C3CCC3)n2)c(C(=O)[O-])c1 ZINC001591788634 975975133 /nfs/dbraw/zinc/97/51/33/975975133.db2.gz QAYKGTOQMLSGQS-UHFFFAOYSA-N -1 0 344.367 3.680 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc([C@H]3CCCOC3)c2)cc1 ZINC000668268512 975977689 /nfs/dbraw/zinc/97/76/89/975977689.db2.gz SZHONQMWAAZNLW-INIZCTEOSA-N -1 0 325.364 3.531 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000668322629 975997915 /nfs/dbraw/zinc/99/79/15/975997915.db2.gz AGJOYGSJYBLNIZ-JCNLHEQBSA-N -1 0 341.382 3.519 20 0 EHADRM O=C([O-])[C@H](CC(F)F)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000669475750 976006213 /nfs/dbraw/zinc/00/62/13/976006213.db2.gz UYUVAHJVUQJESA-LBPRGKRZSA-N -1 0 329.730 3.798 20 0 EHADRM Cc1ccc(-c2cc(C(=O)N(CC(=O)[O-])C3CCCCC3)on2)cc1 ZINC000675993403 976024259 /nfs/dbraw/zinc/02/42/59/976024259.db2.gz JMUYMUKMGQGYCN-UHFFFAOYSA-N -1 0 342.395 3.510 20 0 EHADRM CCCOc1ccc(Cl)cc1C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000676023405 976027806 /nfs/dbraw/zinc/02/78/06/976027806.db2.gz JADGDPJNTZBCIC-UHFFFAOYSA-N -1 0 339.819 3.504 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000683325675 976086973 /nfs/dbraw/zinc/08/69/73/976086973.db2.gz WEAUJBWAPZFSCP-QGZVFWFLSA-N -1 0 335.403 3.727 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCCc2c[nH]c3cc(Cl)ccc23)s1 ZINC000683335999 976090207 /nfs/dbraw/zinc/09/02/07/976090207.db2.gz JXUWCYIWSYNHRA-UHFFFAOYSA-N -1 0 348.811 3.554 20 0 EHADRM CC(C)Sc1ccccc1C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001591829132 976090496 /nfs/dbraw/zinc/09/04/96/976090496.db2.gz DYPGUZXEXVRSEM-QAPCUYQASA-N -1 0 333.453 3.657 20 0 EHADRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1cccs1)c1ccc(OC)cc1 ZINC000685018606 976092937 /nfs/dbraw/zinc/09/29/37/976092937.db2.gz JKWRILQYXZAXLY-CABCVRRESA-N -1 0 347.436 3.583 20 0 EHADRM CC(C)Sc1ccccc1C(=O)OCc1ccc(C(=O)[O-])cn1 ZINC001591829467 976093232 /nfs/dbraw/zinc/09/32/32/976093232.db2.gz OLAKFPODIYGPEA-UHFFFAOYSA-N -1 0 331.393 3.637 20 0 EHADRM CC(C)[C@@H]1C[C@@H](OC(=O)c2cc(C(=O)[O-])ccn2)c2ccccc21 ZINC001591845850 976124989 /nfs/dbraw/zinc/12/49/89/976124989.db2.gz CFOPSKPNXUKASJ-DOTOQJQBSA-N -1 0 325.364 3.821 20 0 EHADRM CC(C)[C@@H]1C[C@H](NC(=O)N2CCC[C@H]2CC(=O)[O-])c2ccccc21 ZINC001591846134 976126495 /nfs/dbraw/zinc/12/64/95/976126495.db2.gz LLCLDLQRRXTPGI-JQFCIGGWSA-N -1 0 330.428 3.520 20 0 EHADRM CC(C)[C@H](NC(=O)c1ccc(Oc2cccc(Cl)c2)cc1)C(=O)[O-] ZINC001591889794 976255913 /nfs/dbraw/zinc/25/59/13/976255913.db2.gz BBWLZTBCIAYGMC-INIZCTEOSA-N -1 0 347.798 3.971 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC001591907317 976310546 /nfs/dbraw/zinc/31/05/46/976310546.db2.gz LTHIVWFIZMICSI-QRTARXTBSA-N -1 0 335.419 3.573 20 0 EHADRM CC(C)c1[nH]c(CN2CCN(C3CC3)c3ccccc32)cc1C(=O)[O-] ZINC001591912243 976339568 /nfs/dbraw/zinc/33/95/68/976339568.db2.gz HPXDMXWFOZKRHB-UHFFFAOYSA-N -1 0 339.439 3.825 20 0 EHADRM CC(C)c1cc(C(=O)Nc2sccc2C(=O)[O-])nn1C(C)(C)C ZINC001591930724 976424836 /nfs/dbraw/zinc/42/48/36/976424836.db2.gz AQSXFHGYFYMUGU-UHFFFAOYSA-N -1 0 335.429 3.774 20 0 EHADRM CC(C)c1cc(C(=O)Oc2ccc(CC(=O)[O-])cc2)nn1C(C)(C)C ZINC001591931535 976440198 /nfs/dbraw/zinc/44/01/98/976440198.db2.gz UHNNQPYRCUFPQS-UHFFFAOYSA-N -1 0 344.411 3.608 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)NC[C@@H](CC(=O)[O-])C2CC2)cc1 ZINC001591947496 976490888 /nfs/dbraw/zinc/49/08/88/976490888.db2.gz LPJPNGXIYNDMIC-KBXCAEBGSA-N -1 0 331.456 3.921 20 0 EHADRM CC(C)c1ccc(C2(C(=O)Nc3cc(C(=O)[O-])n(C)c3)CCC2)cc1 ZINC001591948533 976500984 /nfs/dbraw/zinc/50/09/84/976500984.db2.gz IJSRKJUEQFKUMW-UHFFFAOYSA-N -1 0 340.423 3.907 20 0 EHADRM CC(C)c1ccc(C2(C(=O)NC[C@H](CC(=O)[O-])C3CC3)CCC2)cc1 ZINC001591948879 976503357 /nfs/dbraw/zinc/50/33/57/976503357.db2.gz NJSDNALBZSYHRA-KRWDZBQOSA-N -1 0 343.467 3.849 20 0 EHADRM CC(C)c1ccc(CS[C@@H]2CCCN(CCC(=O)[O-])C2=O)cc1 ZINC001591957615 976531708 /nfs/dbraw/zinc/53/17/08/976531708.db2.gz SYEXNLYNTAHQFE-MRXNPFEDSA-N -1 0 335.469 3.509 20 0 EHADRM CC(C)c1ccc(NC(=O)Cc2c(F)cccc2F)c(C(=O)[O-])c1 ZINC001591965179 976555882 /nfs/dbraw/zinc/55/58/82/976555882.db2.gz HLZRENPFTNOXCY-UHFFFAOYSA-N -1 0 333.334 3.968 20 0 EHADRM CC(C)c1ccc(NC(=O)Cc2noc3ccccc32)c(C(=O)[O-])c1 ZINC001591965423 976557072 /nfs/dbraw/zinc/55/70/72/976557072.db2.gz LAKFVKGOCMKLPI-UHFFFAOYSA-N -1 0 338.363 3.831 20 0 EHADRM CC(C)c1ccc(NC(=O)c2n[nH]c3c2CCCCC3)c(C(=O)[O-])c1 ZINC001591969027 976568204 /nfs/dbraw/zinc/56/82/04/976568204.db2.gz WIDULOFYBXDSOE-UHFFFAOYSA-N -1 0 341.411 3.753 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)NCC(C)(C)CC(=O)[O-])CC2 ZINC001591973722 976580459 /nfs/dbraw/zinc/58/04/59/976580459.db2.gz IVCGEBMQNSONQR-MRXNPFEDSA-N -1 0 332.444 3.597 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)CC2 ZINC001591974501 976589518 /nfs/dbraw/zinc/58/95/18/976589518.db2.gz WQYOWWJSQJCHKE-CGQZWFTASA-N -1 0 339.391 3.918 20 0 EHADRM CC(C)c1ccc2occ(C(=O)N3CC[C@@H](C(=O)[O-])[C@@H](C)C3)c2c1 ZINC001591981138 976596224 /nfs/dbraw/zinc/59/62/24/976596224.db2.gz OOUJJYOKICEVAY-GXTWGEPZSA-N -1 0 329.396 3.739 20 0 EHADRM CC(C)c1cccc(OS(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)c1 ZINC001591994803 976636037 /nfs/dbraw/zinc/63/60/37/976636037.db2.gz UBBHEVUAIWHXEA-UHFFFAOYSA-N -1 0 344.772 3.522 20 0 EHADRM CC(C)c1nc(COc2cccc3c(CC(=O)[O-])cccc23)no1 ZINC001592021353 976714043 /nfs/dbraw/zinc/71/40/43/976714043.db2.gz BXJXYOUUSQJGMC-UHFFFAOYSA-N -1 0 326.352 3.552 20 0 EHADRM CC(C)c1nc(NC(=O)c2nsc3ccccc32)sc1C(=O)[O-] ZINC001592030338 976735022 /nfs/dbraw/zinc/73/50/22/976735022.db2.gz MAZVGYHEIWDDRJ-UHFFFAOYSA-N -1 0 347.421 3.827 20 0 EHADRM CC(C)c1nnc(CN[C@@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)s1 ZINC001592060590 976804810 /nfs/dbraw/zinc/80/48/10/976804810.db2.gz RLRPPDUMSLXCSA-SGTLLEGYSA-N -1 0 345.468 3.629 20 0 EHADRM CC(C)c1sc(NC(=O)c2cc3[nH]ccc3s2)nc1C(=O)[O-] ZINC001592114423 976907328 /nfs/dbraw/zinc/90/73/28/976907328.db2.gz APDPWRZHTMYFJQ-UHFFFAOYSA-N -1 0 335.410 3.760 20 0 EHADRM CC(C)n1ccc(CSCCOc2ccc(/C=C/C(=O)[O-])cc2)n1 ZINC001592138108 976983759 /nfs/dbraw/zinc/98/37/59/976983759.db2.gz OGEZZZYEPGJPIH-VMPITWQZSA-N -1 0 346.452 3.874 20 0 EHADRM Cc1csc(C(=O)Nc2c(O)cccc2F)c1Br ZINC000683115020 1014363990 /nfs/dbraw/zinc/36/39/90/1014363990.db2.gz YHEWJELZJCCURM-UHFFFAOYSA-N -1 0 330.178 3.916 20 0 EHADRM CC(C)n1ncc2cc(NCc3ccc(C(=O)[O-])c(Cl)c3)cnc21 ZINC001592162636 977041237 /nfs/dbraw/zinc/04/12/37/977041237.db2.gz CSICEHXYNSOYCT-UHFFFAOYSA-N -1 0 344.802 3.976 20 0 EHADRM CC(C)n1ncc2cc(CSCc3nc(C(=O)[O-])cs3)cnc21 ZINC001592163111 977049038 /nfs/dbraw/zinc/04/90/38/977049038.db2.gz PQGJXSQZMRSXMA-UHFFFAOYSA-N -1 0 348.453 3.600 20 0 EHADRM C[C@@H](/C=C\C(=O)[O-])NC(=O)c1ccc(-c2cccc3cccnc32)cc1 ZINC001592202748 977221224 /nfs/dbraw/zinc/22/12/24/977221224.db2.gz DSNCKHKPGAOBGP-VDBIKXPHSA-N -1 0 346.386 3.661 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CSCc1ccc(F)cc1 ZINC000319920432 1014429980 /nfs/dbraw/zinc/42/99/80/1014429980.db2.gz FARQDJOILRWMRC-UHFFFAOYSA-N -1 0 333.384 3.704 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)O[C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC001592394650 977947171 /nfs/dbraw/zinc/94/71/71/977947171.db2.gz DFCXJPWKNCBTAX-ZANVPECISA-N -1 0 346.301 3.617 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)OCc1ccc([C@H](C)C(F)(F)F)cc1 ZINC001592400244 977962876 /nfs/dbraw/zinc/96/28/76/977962876.db2.gz BLRJOBZJRNVKET-MNOVXSKESA-N -1 0 332.318 3.897 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)O[C@@H](C)c1cccc(Br)c1 ZINC001592403019 977971097 /nfs/dbraw/zinc/97/10/97/977971097.db2.gz SGQIKIUWLVBGQR-UWVGGRQHSA-N -1 0 329.190 3.554 20 0 EHADRM C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001592439095 978086255 /nfs/dbraw/zinc/08/62/55/978086255.db2.gz ZUIWGKDFWFBSGT-LLVKDONJSA-N -1 0 345.782 3.886 20 0 EHADRM C[C@@H](CC(C)(C)C)C(=O)N1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001592440309 978096958 /nfs/dbraw/zinc/09/69/58/978096958.db2.gz YEIOJUVPIUGVMT-RYUDHWBXSA-N -1 0 338.473 3.620 20 0 EHADRM C[C@@H](CC1CCOCC1)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001592464654 978202213 /nfs/dbraw/zinc/20/22/13/978202213.db2.gz WPPCTJJVBRAYMG-HNNXBMFYSA-N -1 0 346.471 3.992 20 0 EHADRM C[C@@H](CC1CCCCC1)C(=O)N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001592465654 978207650 /nfs/dbraw/zinc/20/76/50/978207650.db2.gz ILQWIIHNIMUFTH-FPMFFAJLSA-N -1 0 349.393 3.705 20 0 EHADRM C[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1 ZINC001592465697 978208489 /nfs/dbraw/zinc/20/84/89/978208489.db2.gz KEGNLJSUMVPLEO-MAUKXSAKSA-N -1 0 331.456 3.795 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC001592465698 978208504 /nfs/dbraw/zinc/20/85/04/978208504.db2.gz KEGNLJSUMVPLEO-QAPCUYQASA-N -1 0 331.456 3.795 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)N1CCCc2nc(C(=O)[O-])ccc21 ZINC001592465694 978208657 /nfs/dbraw/zinc/20/86/57/978208657.db2.gz KBLLMKGXDZIQTJ-CYBMUJFWSA-N -1 0 330.428 3.666 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001592490275 978279892 /nfs/dbraw/zinc/27/98/92/978279892.db2.gz AGALKVVYXFMYJT-MRXNPFEDSA-N -1 0 331.456 3.797 20 0 EHADRM CC(=O)c1ccc(NC(=S)Nc2cc(C)c(C(=O)[O-])s2)cc1 ZINC000736193130 978308978 /nfs/dbraw/zinc/30/89/78/978308978.db2.gz PWGWFXDUYRMVKU-UHFFFAOYSA-N -1 0 334.422 3.766 20 0 EHADRM C[C@@H](CN(C)C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC000736568542 978342813 /nfs/dbraw/zinc/34/28/13/978342813.db2.gz DJAPFECUSKEHDE-CUZBXDDWSA-N -1 0 347.411 3.747 20 0 EHADRM COc1cccc(N)c1Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001211490430 1014481107 /nfs/dbraw/zinc/48/11/07/1014481107.db2.gz XOGBEFWPMXOGBQ-UHFFFAOYSA-N -1 0 326.274 3.738 20 0 EHADRM CCC[C@@H](CC1CCCC1)C(=O)N(C)c1nc(CC(=O)[O-])cs1 ZINC000736971809 978369695 /nfs/dbraw/zinc/36/96/95/978369695.db2.gz UYQNEYWYGGTLKB-ZDUSSCGKSA-N -1 0 338.473 3.730 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001592540210 978422136 /nfs/dbraw/zinc/42/21/36/978422136.db2.gz HVYZBTXWABGTIT-ZDUSSCGKSA-N -1 0 341.382 3.682 20 0 EHADRM C[C@@H](CN(C(=O)c1ccc(Cl)cc1C(F)(F)F)C1CC1)C(=O)[O-] ZINC001592562937 978452620 /nfs/dbraw/zinc/45/26/20/978452620.db2.gz VLIXLDDFUWSLLK-QMMMGPOBSA-N -1 0 349.736 3.684 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)C1CCC(C2CC2)CC1)C(=O)[O-] ZINC001592602856 978542468 /nfs/dbraw/zinc/54/24/68/978542468.db2.gz ZLOLLWQZWSHOMJ-MNNVXMFVSA-N -1 0 343.467 3.952 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)c1cccc(Br)n1)C(=O)[O-] ZINC001592609699 978557479 /nfs/dbraw/zinc/55/74/79/978557479.db2.gz JKORFIDXKUBXPV-LBPRGKRZSA-N -1 0 349.228 3.571 20 0 EHADRM Cc1ccc(OCCC(=O)Oc2ccc(C)cc2C(=O)[O-])c(C)c1 ZINC000738644010 978580340 /nfs/dbraw/zinc/58/03/40/978580340.db2.gz SNGYDORQDRFHFS-UHFFFAOYSA-N -1 0 328.364 3.685 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@@H]2CCCOc3ccccc32)c(F)c1 ZINC000739466696 978641773 /nfs/dbraw/zinc/64/17/73/978641773.db2.gz FWQBDEGVVGIFFE-CQSZACIVSA-N -1 0 344.342 3.559 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)[C@H]1CCSc2ccccc21 ZINC000740077616 978666340 /nfs/dbraw/zinc/66/63/40/978666340.db2.gz MUIFSILURSWRKA-LBPRGKRZSA-N -1 0 331.368 3.742 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2[nH]c3ccccc3c2Cl)ccc1F ZINC000746356305 978682808 /nfs/dbraw/zinc/68/28/08/978682808.db2.gz IUNBNVAAMUGRQL-UHFFFAOYSA-N -1 0 332.718 3.911 20 0 EHADRM Cc1cc2[nH]c(C(=O)Nc3ccc(F)c(C(=O)[O-])c3)cc2c(C)c1 ZINC000746357309 978683161 /nfs/dbraw/zinc/68/31/61/978683161.db2.gz XPFIPBZGSZGRCC-UHFFFAOYSA-N -1 0 326.327 3.874 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1 ZINC000751518395 978692812 /nfs/dbraw/zinc/69/28/12/978692812.db2.gz WDHGWZSJNUXJED-LMMOQWNQSA-N -1 0 343.345 3.820 20 0 EHADRM O=C([O-])CCCC(=O)NCc1ccc(Sc2ccc(F)cc2)cc1 ZINC000753968001 978695457 /nfs/dbraw/zinc/69/54/57/978695457.db2.gz PULQZQOCADWGMH-UHFFFAOYSA-N -1 0 347.411 3.848 20 0 EHADRM Cc1cc(C)cc([C@H](NCc2csc(-c3ccco3)n2)C(=O)[O-])c1 ZINC000756385053 978699963 /nfs/dbraw/zinc/69/99/63/978699963.db2.gz DDOCMLXFUXUMKR-INIZCTEOSA-N -1 0 342.420 3.935 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)c1 ZINC000761334879 978709501 /nfs/dbraw/zinc/70/95/01/978709501.db2.gz IFASHTHELSYRGZ-UHFFFAOYSA-N -1 0 348.402 3.886 20 0 EHADRM CCOc1ccccc1C(F)(F)C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000761525683 978711452 /nfs/dbraw/zinc/71/14/52/978711452.db2.gz QEPUOKJGBVKFCX-UHFFFAOYSA-N -1 0 349.333 3.822 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)CCCc1ccc2ccccc2c1 ZINC000761649156 978713459 /nfs/dbraw/zinc/71/34/59/978713459.db2.gz JJHHFXVVFMLOJH-HXUWFJFHSA-N -1 0 327.424 3.922 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000766844336 978726708 /nfs/dbraw/zinc/72/67/08/978726708.db2.gz COBLZVPLEPZNGL-JKSUJKDBSA-N -1 0 341.794 3.731 20 0 EHADRM C/C(=C\C(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-])c1ccccc1 ZINC000766899356 978728815 /nfs/dbraw/zinc/72/88/15/978728815.db2.gz WYBXZRNFZZXDSP-HJUDDPQBSA-N -1 0 337.419 3.839 20 0 EHADRM Cc1ccc(-c2ncc(C(=O)N(CC(=O)[O-])CC(C)C)s2)c(C)c1 ZINC000766919511 978729457 /nfs/dbraw/zinc/72/94/57/978729457.db2.gz GKMUSURUFPEWJK-UHFFFAOYSA-N -1 0 346.452 3.610 20 0 EHADRM CC(C)(C)/C=C\C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000767069707 978732739 /nfs/dbraw/zinc/73/27/39/978732739.db2.gz XDLDOLFRLYTYKZ-KHPPLWFESA-N -1 0 327.380 3.844 20 0 EHADRM COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000767096908 978734830 /nfs/dbraw/zinc/73/48/30/978734830.db2.gz PKANMRREFSSIJW-QWHCGFSZSA-N -1 0 345.782 3.789 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C/C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000767185553 978735839 /nfs/dbraw/zinc/73/58/39/978735839.db2.gz KLBKUBCGBANUCR-AUECHBEKSA-N -1 0 345.439 3.638 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N3CCCC[C@@H]3CC(=O)[O-])[nH]c2c1 ZINC000779437969 978783250 /nfs/dbraw/zinc/78/32/50/978783250.db2.gz XCQZAWPWIFBXJU-OAHLLOKOSA-N -1 0 328.412 3.761 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCN2C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000779428888 978783275 /nfs/dbraw/zinc/78/32/75/978783275.db2.gz JFSRQBNLXSZBML-LSDHHAIUSA-N -1 0 329.440 3.764 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N2CCC[C@H]2Cc2ccccc2)c1 ZINC000811814980 978858406 /nfs/dbraw/zinc/85/84/06/978858406.db2.gz XOECXJJCTWGWBA-HNNXBMFYSA-N -1 0 343.810 3.886 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N[C@H](c2ccccc2)C2CC2)c1 ZINC000811815958 978859441 /nfs/dbraw/zinc/85/94/41/978859441.db2.gz GWUREVHZIUIKCK-MRXNPFEDSA-N -1 0 329.783 3.919 20 0 EHADRM CC[C@H](NC(=O)c1cc(C(=O)[O-])ccc1Cl)c1c(C)noc1C ZINC000811822470 978867362 /nfs/dbraw/zinc/86/73/62/978867362.db2.gz AHUZIWATLHFSTB-ZDUSSCGKSA-N -1 0 336.775 3.524 20 0 EHADRM CC(C)CN(C(=O)c1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000826865076 978950316 /nfs/dbraw/zinc/95/03/16/978950316.db2.gz FNCYVPPMSIWGFE-UHFFFAOYSA-N -1 0 332.787 3.736 20 0 EHADRM C[C@@H](NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)[C@@H](C)c1ccccc1 ZINC000827653904 978962896 /nfs/dbraw/zinc/96/28/96/978962896.db2.gz TZBZFQGMSTVBKH-ZIAGYGMSSA-N -1 0 338.407 3.602 20 0 EHADRM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000828151011 978971707 /nfs/dbraw/zinc/97/17/07/978971707.db2.gz STYJIJQCRJIDSY-ZBFHGGJFSA-N -1 0 338.407 3.870 20 0 EHADRM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000828253325 978977423 /nfs/dbraw/zinc/97/74/23/978977423.db2.gz LQFRALLBGQERGD-NSHDSACASA-N -1 0 349.736 3.841 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc3c(c2)oc2ccccc23)C[C@H]1C(=O)[O-] ZINC000828379327 978981029 /nfs/dbraw/zinc/98/10/29/978981029.db2.gz XZFFQVRNTXCISQ-IAQYHMDHSA-N -1 0 338.363 3.770 20 0 EHADRM CCn1nc(C)c(NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1C ZINC000830440602 979017893 /nfs/dbraw/zinc/01/78/93/979017893.db2.gz DVCKUVIGIRTDQC-UHFFFAOYSA-N -1 0 336.779 3.515 20 0 EHADRM C[C@H](CCOCc1ccccc1)NC(=O)c1ccc(Cl)c([O-])c1 ZINC001625784450 1014544017 /nfs/dbraw/zinc/54/40/17/1014544017.db2.gz SKRBETPZSGMJHV-CYBMUJFWSA-N -1 0 333.815 3.771 20 0 EHADRM COc1ccc(-c2cnc(CNc3ccc(C)c(C(=O)[O-])c3)o2)cc1 ZINC000832124575 979040174 /nfs/dbraw/zinc/04/01/74/979040174.db2.gz UANOOUBKQAOMMG-UHFFFAOYSA-N -1 0 338.363 3.969 20 0 EHADRM CC[C@H](C)n1cc(-c2cc(C(=O)[O-])n(C(=O)OC(C)(C)C)c2)cn1 ZINC001595022677 979107779 /nfs/dbraw/zinc/10/77/79/979107779.db2.gz NBGKIFNGZVEMRY-NSHDSACASA-N -1 0 333.388 3.804 20 0 EHADRM CC[C@H](CC(=O)N[C@@](C)(C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC001595033033 979172226 /nfs/dbraw/zinc/17/22/26/979172226.db2.gz AXXNUOMICJNBHW-JLTOFOAXSA-N -1 0 343.398 3.826 20 0 EHADRM CC[C@@H](CC(C)C)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC001595035409 979184351 /nfs/dbraw/zinc/18/43/51/979184351.db2.gz FLRXKJJYMHUFDX-ZDUSSCGKSA-N -1 0 342.439 3.823 20 0 EHADRM CC[C@@H](CC(=O)Oc1cc(C(=O)[O-])cc(C(=O)OC)c1)C(C)(C)C ZINC001595037225 979205133 /nfs/dbraw/zinc/20/51/33/979205133.db2.gz UNYOPFJWHZFKGZ-ZDUSSCGKSA-N -1 0 336.384 3.539 20 0 EHADRM CC[C@H](CC(=O)NCc1ccc(Cl)c(C(=O)[O-])n1)C(C)(C)C ZINC001595037267 979205204 /nfs/dbraw/zinc/20/52/04/979205204.db2.gz WLXZYFIZDQYLEH-SNVBAGLBSA-N -1 0 326.824 3.512 20 0 EHADRM CC[C@H](CC(F)(F)F)C(=O)Nc1nc(C(C)C)c(C(=O)[O-])s1 ZINC001595038705 979208413 /nfs/dbraw/zinc/20/84/13/979208413.db2.gz IAMVQAWIXGIGML-SSDOTTSWSA-N -1 0 338.351 3.882 20 0 EHADRM CC[C@H](CC(F)(F)F)C(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1 ZINC001595038285 979208633 /nfs/dbraw/zinc/20/86/33/979208633.db2.gz GDPXOVQATCUSRW-SNVBAGLBSA-N -1 0 332.318 3.933 20 0 EHADRM CC[C@H](CC(F)(F)F)C(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC001595040110 979219958 /nfs/dbraw/zinc/21/99/58/979219958.db2.gz ZCJLHKLFBMEMHP-TZMCWYRMSA-N -1 0 345.361 3.715 20 0 EHADRM CC[C@H](CC(F)F)C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001595042416 979234537 /nfs/dbraw/zinc/23/45/37/979234537.db2.gz LLTKKAZFNMFUDW-BZNIZROVSA-N -1 0 335.350 3.763 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000840942616 979280172 /nfs/dbraw/zinc/28/01/72/979280172.db2.gz NIIJLPSPIZQFSL-KSZLIROESA-N -1 0 329.440 3.925 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cc(Cl)c(Cl)cc1OC ZINC001595053662 979288622 /nfs/dbraw/zinc/28/86/22/979288622.db2.gz NBPDTZLPNZEBCN-UHFFFAOYSA-N -1 0 348.226 3.765 20 0 EHADRM CC(C)(C)c1cnc(CN(CCc2ccccc2)CC(=O)[O-])s1 ZINC000840995247 979295140 /nfs/dbraw/zinc/29/51/40/979295140.db2.gz XWXWTNOUVBOINE-UHFFFAOYSA-N -1 0 332.469 3.570 20 0 EHADRM Cc1ccoc1C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC000841501677 979303099 /nfs/dbraw/zinc/30/30/99/979303099.db2.gz OMEOTGCGZXPFLY-UHFFFAOYSA-N -1 0 328.368 3.529 20 0 EHADRM CN(C(=O)Nc1cccc(CC(F)(F)F)c1)C1(C(=O)[O-])CCCC1 ZINC000579791846 1014568470 /nfs/dbraw/zinc/56/84/70/1014568470.db2.gz KYNMYGPOJODOSI-UHFFFAOYSA-N -1 0 344.333 3.653 20 0 EHADRM COc1ccccc1OCCN(C)Cc1cc(C(=O)[O-])ccc1Cl ZINC000846238264 979417099 /nfs/dbraw/zinc/41/70/99/979417099.db2.gz LSLBASYCDWSDFT-UHFFFAOYSA-N -1 0 349.814 3.558 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccc(-c3ccccc3)cc2F)C1 ZINC000846706631 979462912 /nfs/dbraw/zinc/46/29/12/979462912.db2.gz ZTGZFUWCNPZQBW-LSDHHAIUSA-N -1 0 327.355 3.932 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1cccc(C2SCCS2)c1 ZINC000848877608 979482659 /nfs/dbraw/zinc/48/26/59/979482659.db2.gz SUDFIXRUPRULQR-SNVBAGLBSA-N -1 0 325.455 3.605 20 0 EHADRM CCc1cc(C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)sc1-c1ccccc1 ZINC000848878908 979484346 /nfs/dbraw/zinc/48/43/46/979484346.db2.gz MYMLFVOEHMOGQQ-IUODEOHRSA-N -1 0 343.448 3.913 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)ccc1N1CCCCC1 ZINC000849173149 979485425 /nfs/dbraw/zinc/48/54/25/979485425.db2.gz MTZCKVQRXVHGEW-BMFZPTHFSA-N -1 0 342.439 3.750 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(/C=C/C(=O)[O-])o2)c1 ZINC000851594276 979505364 /nfs/dbraw/zinc/50/53/64/979505364.db2.gz HJVBKSCKLGNRSV-DZZUKKPASA-N -1 0 325.364 3.663 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)c1ccc(/C=C/C(=O)[O-])o1)C(C)C ZINC000851594199 979505453 /nfs/dbraw/zinc/50/54/53/979505453.db2.gz HSPOWXDSBJYLSG-CKDFRHGISA-N -1 0 327.380 3.813 20 0 EHADRM COc1ccc(NC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)c(C(=O)[O-])c1 ZINC000851604210 979527204 /nfs/dbraw/zinc/52/72/04/979527204.db2.gz PRSHWLVZRIEOET-BBRMVZONSA-N -1 0 339.338 3.548 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)/C=C/SCc2ccco2)[C@@H]2CCCC[C@H]12 ZINC000851619860 979548843 /nfs/dbraw/zinc/54/88/43/979548843.db2.gz XYLUGMWWARPVQG-UIJWQDAMSA-N -1 0 349.452 3.518 20 0 EHADRM C[C@H](Cc1c(Cl)cccc1Cl)Nc1ncncc1C(=O)[O-] ZINC001592831526 979557636 /nfs/dbraw/zinc/55/76/36/979557636.db2.gz CKBWQWSZKVJLEW-MRVPVSSYSA-N -1 0 326.183 3.525 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC001592832140 979562425 /nfs/dbraw/zinc/56/24/25/979562425.db2.gz LYZAFTDZYAJIBJ-GFCCVEGCSA-N -1 0 348.395 3.787 20 0 EHADRM C[C@@H](CSc1ccccc1)N(C)C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001592832975 979567132 /nfs/dbraw/zinc/56/71/32/979567132.db2.gz YRRGMQVGWDYORE-XEHSLEBBSA-N -1 0 345.420 3.630 20 0 EHADRM CC[C@](CNC(=O)[C@@H](F)CC1CCCCC1)(C(=O)[O-])c1ccccc1 ZINC001595138925 979585320 /nfs/dbraw/zinc/58/53/20/979585320.db2.gz TTZQWXRVKXISPF-FXAWDEMLSA-N -1 0 349.446 3.844 20 0 EHADRM C[C@@](Cc1ccc(Cl)cc1)(NC(=O)/C=C/c1cccs1)C(=O)[O-] ZINC001592838148 979586127 /nfs/dbraw/zinc/58/61/27/979586127.db2.gz JKVGMOZQCIMBPH-IJDCCNJMSA-N -1 0 349.839 3.617 20 0 EHADRM C[C@@](Cc1ccc(Cl)cc1)(NC(=O)C1(F)CCCCC1)C(=O)[O-] ZINC001592838482 979588536 /nfs/dbraw/zinc/58/85/36/979588536.db2.gz OSNBKDMJABAVNE-INIZCTEOSA-N -1 0 341.810 3.514 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2ccc(OC3CCC3)cc2)cc1F ZINC000856721635 979610359 /nfs/dbraw/zinc/61/03/59/979610359.db2.gz BYYMHBHISMHDSI-UHFFFAOYSA-N -1 0 343.354 3.636 20 0 EHADRM C[C@@H](CSC(F)(F)F)C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001592857727 979664922 /nfs/dbraw/zinc/66/49/22/979664922.db2.gz LEFQKXMILCXRSS-ZJUUUORDSA-N -1 0 349.374 3.777 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N[C@@H]2CCc3ccccc32)cc1)C(=O)[O-] ZINC001592871263 979723302 /nfs/dbraw/zinc/72/33/02/979723302.db2.gz CRNAQCGURCTFOK-SCLBCKFNSA-N -1 0 338.407 3.759 20 0 EHADRM C[C@H](CCc1ccc(F)cc1)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000864131780 979733586 /nfs/dbraw/zinc/73/35/86/979733586.db2.gz BMWBQOATZHGVPV-GDBMZVCRSA-N -1 0 349.446 3.744 20 0 EHADRM C[C@H](CCc1ccc(F)cc1)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000864131783 979733614 /nfs/dbraw/zinc/73/36/14/979733614.db2.gz BMWBQOATZHGVPV-ZBFHGGJFSA-N -1 0 349.446 3.744 20 0 EHADRM CCCC[C@H](NC(=O)c1ccc(-c2ccccc2OC)s1)C(=O)[O-] ZINC000864132535 979734465 /nfs/dbraw/zinc/73/44/65/979734465.db2.gz BAAQDMWUMUCDMX-ZDUSSCGKSA-N -1 0 347.436 3.797 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000864133030 979735240 /nfs/dbraw/zinc/73/52/40/979735240.db2.gz YAHAKXCMTNFMNO-BPQIPLTHSA-N -1 0 349.858 3.767 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)NCCCC(C)(F)F)cc1)C(=O)[O-] ZINC001592874168 979739643 /nfs/dbraw/zinc/73/96/43/979739643.db2.gz YHCPZNGDJIWHRI-NSHDSACASA-N -1 0 328.359 3.507 20 0 EHADRM C[C@H](Cc1ccc(NC(=S)N[C@@H]2CCCC[C@@H]2C)cc1)C(=O)[O-] ZINC001592878139 979747616 /nfs/dbraw/zinc/74/76/16/979747616.db2.gz VANOSAKUPBBCIR-WOSRLPQWSA-N -1 0 334.485 3.815 20 0 EHADRM C[C@H](Cc1ccc(NC[C@H](O)c2ccccc2Cl)cc1)C(=O)[O-] ZINC001592877992 979747700 /nfs/dbraw/zinc/74/77/00/979747700.db2.gz TUQQQCKDFRDUMT-PXAZEXFGSA-N -1 0 333.815 3.749 20 0 EHADRM CCCN(CCc1cccs1)C(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000864143817 979748721 /nfs/dbraw/zinc/74/87/21/979748721.db2.gz JNYXDHIPGDYWIT-UHFFFAOYSA-N -1 0 331.437 3.850 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001592882733 979754010 /nfs/dbraw/zinc/75/40/10/979754010.db2.gz GUNVCAQFPBJGAF-NSHDSACASA-N -1 0 349.789 3.672 20 0 EHADRM C[C@@H](Cc1ccc(Nc2nc3ccccc3nc2F)cc1)C(=O)[O-] ZINC001592882783 979755080 /nfs/dbraw/zinc/75/50/80/979755080.db2.gz ITEKGOKHKBRHPA-NSHDSACASA-N -1 0 325.343 3.776 20 0 EHADRM Cc1ccc(C(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)cc1C(=O)[O-] ZINC000864158104 979769805 /nfs/dbraw/zinc/76/98/05/979769805.db2.gz APFIFFDPAABDKN-BETUJISGSA-N -1 0 343.345 3.886 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)N1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC001592891890 979786246 /nfs/dbraw/zinc/78/62/46/979786246.db2.gz SEHVYGKLUHYDAT-XPCVCDNBSA-N -1 0 337.847 3.619 20 0 EHADRM C[C@@](Cc1ccccc1)(NC(=O)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC001592892371 979791926 /nfs/dbraw/zinc/79/19/26/979791926.db2.gz WEKQAMRDJKKIMR-NRFANRHFSA-N -1 0 349.386 3.866 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001592896620 979798164 /nfs/dbraw/zinc/79/81/64/979798164.db2.gz QQISCMYBQNGDGI-DJJJIMSYSA-N -1 0 335.419 3.544 20 0 EHADRM CC[C@@H](COC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1)C(=O)[O-] ZINC001595183454 979816384 /nfs/dbraw/zinc/81/63/84/979816384.db2.gz PWZWIJZWHZROFC-STQMWFEESA-N -1 0 330.380 3.606 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@H](Cc3ccccc3)[C@@H]2C)cc1C(=O)[O-] ZINC000864177078 979820556 /nfs/dbraw/zinc/82/05/56/979820556.db2.gz FGMTVZSAZQPLOV-DOTOQJQBSA-N -1 0 337.419 3.787 20 0 EHADRM O=C([O-])c1coc(CNC(=O)C2(c3cccs3)CCCCC2)c1 ZINC000864193430 979851509 /nfs/dbraw/zinc/85/15/09/979851509.db2.gz PPJJLICIGIOPGV-UHFFFAOYSA-N -1 0 333.409 3.558 20 0 EHADRM Cc1ccsc1C(=O)N[C@@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000864197281 979864729 /nfs/dbraw/zinc/86/47/29/979864729.db2.gz XCRFGGOZNXWUAR-INIZCTEOSA-N -1 0 337.828 3.526 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)/C=C/c1ccsc1C(F)(F)F)C1CC1 ZINC000864200644 979877112 /nfs/dbraw/zinc/87/71/12/979877112.db2.gz BYMFGEQFLBIRHR-JBQRSBCVSA-N -1 0 347.358 3.540 20 0 EHADRM C[C@@H](Cn1ccc2ccccc21)C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC001592918574 979906876 /nfs/dbraw/zinc/90/68/76/979906876.db2.gz NGOGNLCSOMEFQT-AWEZNQCLSA-N -1 0 337.375 3.510 20 0 EHADRM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC000864224714 979909949 /nfs/dbraw/zinc/90/99/49/979909949.db2.gz GOZROWODVWQMLU-KVFJLYFUSA-N -1 0 327.380 3.536 20 0 EHADRM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC000864224712 979909986 /nfs/dbraw/zinc/90/99/86/979909986.db2.gz GOZROWODVWQMLU-DRAKQNMHSA-N -1 0 327.380 3.536 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2C[C@H]2C2CCOCC2)cc2ccccc21 ZINC000864225690 979911186 /nfs/dbraw/zinc/91/11/86/979911186.db2.gz XJTVTFXVQDBZCD-DLBZAZTESA-N -1 0 339.391 3.539 20 0 EHADRM CC[C@@H](C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21)c1ccc(F)cc1 ZINC000864226539 979912892 /nfs/dbraw/zinc/91/28/92/979912892.db2.gz JJLQBNKOXSOWBJ-GDBMZVCRSA-N -1 0 341.382 3.924 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)N[C@H](CC(=O)[O-])c1cccc(C)c1 ZINC000864229053 979922516 /nfs/dbraw/zinc/92/25/16/979922516.db2.gz IGOLQTQLKAVCEH-QZTJIDSGSA-N -1 0 347.455 3.755 20 0 EHADRM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001595204498 979977629 /nfs/dbraw/zinc/97/76/29/979977629.db2.gz JWIHBKGWBTXLRX-CYBMUJFWSA-N -1 0 347.802 3.576 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC001595211362 979991724 /nfs/dbraw/zinc/99/17/24/979991724.db2.gz SXQAUBNWEMUSBS-JKSUJKDBSA-N -1 0 345.464 3.957 20 0 EHADRM CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001595213671 980009087 /nfs/dbraw/zinc/00/90/87/980009087.db2.gz VGTVBKUMHFTOAB-INIZCTEOSA-N -1 0 326.396 3.836 20 0 EHADRM CC(F)(F)c1cc(F)ccc1N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001592943107 980012591 /nfs/dbraw/zinc/01/25/91/980012591.db2.gz BGCSTPKRHJLZCJ-GFCCVEGCSA-N -1 0 339.317 3.779 20 0 EHADRM CC(F)(F)c1ccc(C(=O)NC2(CC(=O)[O-])CCCCC2)cc1 ZINC001592943950 980017402 /nfs/dbraw/zinc/01/74/02/980017402.db2.gz QTUYHDDGPPDYGK-UHFFFAOYSA-N -1 0 325.355 3.706 20 0 EHADRM CC(F)(F)c1cccc(NC(=O)NCc2ccc(CC(=O)[O-])cc2)c1 ZINC001592945317 980026115 /nfs/dbraw/zinc/02/61/15/980026115.db2.gz YAOWFBZXGMVQHT-UHFFFAOYSA-N -1 0 348.349 3.747 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)N(CC(C)C)C(C)(C)C(=O)[O-] ZINC001595219281 980037551 /nfs/dbraw/zinc/03/75/51/980037551.db2.gz NKGWOIYHBYYMGZ-INIZCTEOSA-N -1 0 333.472 3.912 20 0 EHADRM CCC(F)(F)C(C)(C)CNC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001595221687 980053747 /nfs/dbraw/zinc/05/37/47/980053747.db2.gz MPUDHWZKTMIGLX-UHFFFAOYSA-N -1 0 342.386 3.897 20 0 EHADRM CC[C@@](NC(=O)C/C=C\Cc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC001595238134 980153259 /nfs/dbraw/zinc/15/32/59/980153259.db2.gz BXIKYIOMTKRNPY-YUQDSPFASA-N -1 0 337.419 3.682 20 0 EHADRM CC[C@@H](NC(=O)N1CCC[C@](C)(C(=O)[O-])C1)c1ccc(Cl)s1 ZINC001595247220 980189253 /nfs/dbraw/zinc/18/92/53/980189253.db2.gz JYVUYKHXTSWPJY-BMIGLBTASA-N -1 0 344.864 3.749 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)CC[C@@H]2CCc3ccccc32)C1 ZINC000887326388 980216983 /nfs/dbraw/zinc/21/69/83/980216983.db2.gz APPVCHDSWWTUDN-WBVHZDCISA-N -1 0 329.440 3.600 20 0 EHADRM O=C([O-])[C@@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)CC1CCCC1 ZINC000900083873 980249798 /nfs/dbraw/zinc/24/97/98/980249798.db2.gz NEZJOUSDGSPFDP-LLVKDONJSA-N -1 0 329.799 3.555 20 0 EHADRM C[C@H](Nc1ncc(C(=O)[O-])cc1Cl)c1cnn(CC2CCC2)c1 ZINC000900987183 980257689 /nfs/dbraw/zinc/25/76/89/980257689.db2.gz LWSSMHLMZXFLTR-JTQLQIEISA-N -1 0 334.807 3.603 20 0 EHADRM CC[C@@](NC(=O)c1cc(C)cc(F)c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595265519 980276293 /nfs/dbraw/zinc/27/62/93/980276293.db2.gz YJANJIMYIUFHPR-SFHVURJKSA-N -1 0 349.789 3.907 20 0 EHADRM C[C@@](NC(=O)CCc1ccc(Cl)cc1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593020250 980279768 /nfs/dbraw/zinc/27/97/68/980279768.db2.gz ZOTVRCDSAVZISO-SFHVURJKSA-N -1 0 349.789 3.528 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccc(F)cc1F ZINC001595269136 980282812 /nfs/dbraw/zinc/28/28/12/980282812.db2.gz NDCOXIQQVICMMT-MRXNPFEDSA-N -1 0 333.334 3.853 20 0 EHADRM CCN(CC)C(=O)c1ccc(NCc2csc(C(=O)[O-])c2)cc1 ZINC000901464864 980298956 /nfs/dbraw/zinc/29/89/56/980298956.db2.gz OFUDJSGMWJRSQX-UHFFFAOYSA-N -1 0 332.425 3.540 20 0 EHADRM CC[C@H](N[C@H](C(=O)[O-])c1ccsc1)c1cccc(OC)c1OC ZINC001595277114 980304224 /nfs/dbraw/zinc/30/42/24/980304224.db2.gz PJXQMIQSEQHQTK-ZFWWWQNUSA-N -1 0 335.425 3.632 20 0 EHADRM O=C([O-])/C=C/c1ccc(CN2CCC[C@@](F)(c3ccccc3)C2)o1 ZINC000901543719 980372169 /nfs/dbraw/zinc/37/21/69/980372169.db2.gz KFVNJJYKSKEMFY-YXBWYFRISA-N -1 0 329.371 3.838 20 0 EHADRM O=C([O-])/C=C\c1ccc(CN2CCC[C@@](F)(c3ccccc3)C2)o1 ZINC000901543718 980372543 /nfs/dbraw/zinc/37/25/43/980372543.db2.gz KFVNJJYKSKEMFY-VJIACCKLSA-N -1 0 329.371 3.838 20 0 EHADRM CC[C@@](O)(CC(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1)c1ccccc1 ZINC001595321215 980507995 /nfs/dbraw/zinc/50/79/95/980507995.db2.gz GMIQXVZZDIOPPH-ORAYPTAESA-N -1 0 346.379 3.578 20 0 EHADRM Cc1csc(CN[C@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])n1 ZINC000901844996 980567521 /nfs/dbraw/zinc/56/75/21/980567521.db2.gz VCFNQRJYJLNOOM-GOEBONIOSA-N -1 0 330.453 3.505 20 0 EHADRM C[C@H](NCc1ccc(C(F)(F)F)s1)c1ncc(C(=O)[O-])s1 ZINC000901908477 980621734 /nfs/dbraw/zinc/62/17/34/980621734.db2.gz UGGOGFHBMGNKES-LURJTMIESA-N -1 0 336.360 3.772 20 0 EHADRM Cc1cc(CNCc2cccc(F)c2OC(F)(F)F)oc1C(=O)[O-] ZINC000901936925 980640228 /nfs/dbraw/zinc/64/02/28/980640228.db2.gz GFWMPKKPUUJANR-UHFFFAOYSA-N -1 0 347.264 3.614 20 0 EHADRM CC[C@@H](OC(=O)c1ccc(-c2nc3ccccc3s2)o1)C(=O)[O-] ZINC001595349044 980651105 /nfs/dbraw/zinc/65/11/05/980651105.db2.gz PJXPOCUHHGPTKV-SNVBAGLBSA-N -1 0 331.349 3.576 20 0 EHADRM CC[C@@H](OC(=O)c1ccc(-c2ccc(OC)cc2)cc1F)C(=O)[O-] ZINC001595349350 980653844 /nfs/dbraw/zinc/65/38/44/980653844.db2.gz XCIAMMZGKBQHLK-MRXNPFEDSA-N -1 0 332.327 3.521 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001595356178 980709354 /nfs/dbraw/zinc/70/93/54/980709354.db2.gz CAYAXFMGVCIXBK-UZLBHIALSA-N -1 0 347.455 3.692 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)N1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC001595356365 980711354 /nfs/dbraw/zinc/71/13/54/980711354.db2.gz CLQAHLGGKAOHFF-OIISXLGYSA-N -1 0 347.455 3.679 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CNc1ccc(C(=O)NC2CCCC2)cc1 ZINC000902105639 980737020 /nfs/dbraw/zinc/73/70/20/980737020.db2.gz NNNGAZYXEPTTIO-UHFFFAOYSA-N -1 0 342.395 3.571 20 0 EHADRM Cn1cnnc1-c1cccc(N[C@@H]2CCC[C@@H](CCCC(=O)[O-])C2)c1 ZINC000902139057 980753487 /nfs/dbraw/zinc/75/34/87/980753487.db2.gz MDLVIWAOIKQTQL-GOEBONIOSA-N -1 0 342.443 3.708 20 0 EHADRM O=C([O-])c1cc(CNc2ccc(OC[C@H]3CCCO3)cc2)cs1 ZINC000902150892 980759102 /nfs/dbraw/zinc/75/91/02/980759102.db2.gz YXHRKPLGNQNZFX-OAHLLOKOSA-N -1 0 333.409 3.616 20 0 EHADRM C[C@H]1[C@H](Nc2cccc(C(=O)N3CCCCC3)c2)CC[C@H]1CC(=O)[O-] ZINC000902153066 980759989 /nfs/dbraw/zinc/75/99/89/980759989.db2.gz CFSZQPSGMNWRMS-RVKKMQEKSA-N -1 0 344.455 3.614 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])Cc1cn2cccc(C)c2n1 ZINC001595362587 980772809 /nfs/dbraw/zinc/77/28/09/980772809.db2.gz KRYIXVBVPWXDOA-SFHVURJKSA-N -1 0 337.423 3.681 20 0 EHADRM C[C@H](Nc1ccc(NC(=O)N2CCCCCC2)cc1)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000902200463 980780066 /nfs/dbraw/zinc/78/00/66/980780066.db2.gz BSDFFDPEIDNJIZ-JQFCIGGWSA-N -1 0 345.443 3.616 20 0 EHADRM CCc1oc(CNC[C@@H](OC2CCCC2)C(F)(F)F)cc1C(=O)[O-] ZINC000902219892 980788176 /nfs/dbraw/zinc/78/81/76/980788176.db2.gz YFKIIPBKLJYDJH-CQSZACIVSA-N -1 0 349.349 3.520 20 0 EHADRM CCc1oc(CNCc2ccsc2Br)cc1C(=O)[O-] ZINC000902268332 980809483 /nfs/dbraw/zinc/80/94/83/980809483.db2.gz BHXPKGBEWKOIIN-UHFFFAOYSA-N -1 0 344.230 3.654 20 0 EHADRM CCC1(C(=O)Nc2cccc(C(=O)[O-])c2O)CCC(F)(F)CC1 ZINC001595367973 980821161 /nfs/dbraw/zinc/82/11/61/980821161.db2.gz NNOZBRNWUPKWFN-UHFFFAOYSA-N -1 0 327.327 3.635 20 0 EHADRM CCOc1cc(Cl)ccc1CNCc1cc(C(=O)[O-])c(CC)o1 ZINC000902341469 980840957 /nfs/dbraw/zinc/84/09/57/980840957.db2.gz XZZPUNIAXKUEJL-UHFFFAOYSA-N -1 0 337.803 3.882 20 0 EHADRM Cc1cc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)c(C)c(C)c1O ZINC000274727372 1014687257 /nfs/dbraw/zinc/68/72/57/1014687257.db2.gz CQOTUIABUABWMG-HXUWFJFHSA-N -1 0 341.407 3.689 20 0 EHADRM CCC1(C)CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CC1 ZINC001595370771 980844073 /nfs/dbraw/zinc/84/40/73/980844073.db2.gz GRFNILIRVKAWJE-JKSUJKDBSA-N -1 0 330.428 3.919 20 0 EHADRM CC[C@@]1(C)CCN(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)C1 ZINC001595370853 980844804 /nfs/dbraw/zinc/84/48/04/980844804.db2.gz HWCQRNUINRQRKW-SFHVURJKSA-N -1 0 327.384 3.587 20 0 EHADRM CCCOc1ccc(NCc2c(C)nn(CCC(=O)[O-])c2C)cc1F ZINC000902367202 980856680 /nfs/dbraw/zinc/85/66/80/980856680.db2.gz AQZOWZKAEATYMV-UHFFFAOYSA-N -1 0 349.406 3.515 20 0 EHADRM CCC1(CC)CCN(C(=O)Nc2cc(COC)cc(C(=O)[O-])c2)CC1 ZINC001595375024 980891385 /nfs/dbraw/zinc/89/13/85/980891385.db2.gz LPHBAMXOXCVTCG-UHFFFAOYSA-N -1 0 348.443 3.965 20 0 EHADRM CCC1(CC)CN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c2ccccc21 ZINC001595375320 980894433 /nfs/dbraw/zinc/89/44/33/980894433.db2.gz FKHPSVVKZBJGOA-LSDHHAIUSA-N -1 0 329.440 3.982 20 0 EHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@H]1Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000902454356 980894839 /nfs/dbraw/zinc/89/48/39/980894839.db2.gz FCQCZMPSGNEQPX-ZUJMEHAASA-N -1 0 347.455 3.670 20 0 EHADRM O=C([O-])c1ccccc1-c1ccc(CNC2(c3ncccn3)CCC2)o1 ZINC000902459498 980898268 /nfs/dbraw/zinc/89/82/68/980898268.db2.gz YQEHQLGBYNKAFI-UHFFFAOYSA-N -1 0 349.390 3.604 20 0 EHADRM O=C([O-])COc1ccc(CNC2(c3c(F)cccc3F)CCC2)cc1 ZINC000902492730 980908848 /nfs/dbraw/zinc/90/88/48/980908848.db2.gz STMBCETUPKIJNY-UHFFFAOYSA-N -1 0 347.361 3.597 20 0 EHADRM CCC1(CNC(=O)Nc2cc(C(=O)[O-])cnc2Cl)CCCCC1 ZINC001595378715 980915353 /nfs/dbraw/zinc/91/53/53/980915353.db2.gz JWUFYMPZJZUYOQ-UHFFFAOYSA-N -1 0 339.823 3.915 20 0 EHADRM CC[C@H]1[C@H](C)CCN1C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001595406039 980988948 /nfs/dbraw/zinc/98/89/48/980988948.db2.gz XCEVRUYEHYDIGX-DOMZBBRYSA-N -1 0 334.416 3.824 20 0 EHADRM CC[C@@H]1[C@H](C)CCN1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001595406104 980989715 /nfs/dbraw/zinc/98/97/15/980989715.db2.gz YMJZVYGXBBPYFD-BXKDBHETSA-N -1 0 342.342 3.639 20 0 EHADRM CCCN(Cc1ccc(C(=O)[O-])c2cccnc12)CC(F)(F)F ZINC000903888214 981021532 /nfs/dbraw/zinc/02/15/32/981021532.db2.gz UTATXCDNXASCCP-UHFFFAOYSA-N -1 0 326.318 3.707 20 0 EHADRM CC[C@@H]1CC[C@@H](C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)O1 ZINC001595415584 981028808 /nfs/dbraw/zinc/02/88/08/981028808.db2.gz HLEDREDFMDVZDJ-YDEJPDAXSA-N -1 0 347.194 3.620 20 0 EHADRM CC[C@@H]1CC[C@@H](C(=O)Nc2sc3c(c2C(=O)[O-])CCCCC3)O1 ZINC001595416785 981033860 /nfs/dbraw/zinc/03/38/60/981033860.db2.gz YTGJTLWMNCFGIH-PWSUYJOCSA-N -1 0 337.441 3.611 20 0 EHADRM CCC1CCC(NC(=O)[C@@H]2CCc3c2cccc3Cl)(C(=O)[O-])CC1 ZINC001595421059 981040749 /nfs/dbraw/zinc/04/07/49/981040749.db2.gz ZBJUYPWHOYQRCC-WXYZLBAPSA-N -1 0 349.858 3.910 20 0 EHADRM CC[C@@H]1CCC[C@@]1(C)c1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC001595435009 981061694 /nfs/dbraw/zinc/06/16/94/981061694.db2.gz DVDDEJPYWUEKBN-FZKQIMNGSA-N -1 0 330.384 3.815 20 0 EHADRM CCCOc1ccc([N-]S(=O)(=O)c2cc(C)c(C)s2)cc1 ZINC000538015718 1032102490 /nfs/dbraw/zinc/10/24/90/1032102490.db2.gz SLEJKPAAZRHZKT-UHFFFAOYSA-N -1 0 325.455 3.955 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC001595441245 981078924 /nfs/dbraw/zinc/07/89/24/981078924.db2.gz OZOQDGWZVKJWLN-SCRDCRAPSA-N -1 0 337.391 3.833 20 0 EHADRM CC[C@@H]1CCCC[C@H]1N(C)C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001595444001 981084828 /nfs/dbraw/zinc/08/48/28/981084828.db2.gz HASVAKLSXVTOIT-RHSMWYFYSA-N -1 0 342.439 3.767 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc3ccnc(Cl)c3c2)C1 ZINC000905115853 981089122 /nfs/dbraw/zinc/08/91/22/981089122.db2.gz UJRQNKUWHBBBNW-NEPJUHHUSA-N -1 0 332.787 3.718 20 0 EHADRM CC[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001595444578 981089415 /nfs/dbraw/zinc/08/94/15/981089415.db2.gz RJRKEDIZWWNSPX-GWCFXTLKSA-N -1 0 339.823 3.866 20 0 EHADRM CC[C@@H]1CCC[C@@H]1CNC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001595450896 981104592 /nfs/dbraw/zinc/10/45/92/981104592.db2.gz DWMWFQHXFORPAA-VXGBXAGGSA-N -1 0 329.400 3.814 20 0 EHADRM CC[C@@H]1CCCN(C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)C1 ZINC001595452904 981116557 /nfs/dbraw/zinc/11/65/57/981116557.db2.gz HUYGKQOVVQEWHJ-CYBMUJFWSA-N -1 0 334.416 3.826 20 0 EHADRM CC[C@@H]1CCCN(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)CC1 ZINC001595452947 981117167 /nfs/dbraw/zinc/11/71/67/981117167.db2.gz KHAXVZVVMLDFIL-GFCCVEGCSA-N -1 0 329.400 3.910 20 0 EHADRM CC[C@@H]1CCC[C@@H]1NC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001595459241 981137058 /nfs/dbraw/zinc/13/70/58/981137058.db2.gz XYUGOTSXRQCHTR-WBMJQRKESA-N -1 0 344.411 3.551 20 0 EHADRM CC[C@H]1CN(C(=O)c2oc(C(=O)[O-])cc2C)CC[C@H]1c1ccccc1 ZINC001595480541 981198031 /nfs/dbraw/zinc/19/80/31/981198031.db2.gz JNXPGSWJCNNOIZ-GOEBONIOSA-N -1 0 341.407 3.942 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(F)c3occc32)[C@@H]2CCCC[C@@H]12 ZINC000907705231 981209124 /nfs/dbraw/zinc/20/91/24/981209124.db2.gz WBLGLIHQOAINNT-SGIREYDYSA-N -1 0 345.370 3.677 20 0 EHADRM CC[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C[C@H](CC)O1 ZINC001595484114 981217033 /nfs/dbraw/zinc/21/70/33/981217033.db2.gz NSSULSSFTQQRHZ-QLFBSQMISA-N -1 0 345.361 3.721 20 0 EHADRM CCCCC[C@@H](C)CC(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC000908164024 981274442 /nfs/dbraw/zinc/27/44/42/981274442.db2.gz DHAMPUTVIOYOJX-GBRKPNRJSA-N -1 0 341.517 3.838 20 0 EHADRM CC[C@H]1c2ccccc2CN1C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001595503459 981276587 /nfs/dbraw/zinc/27/65/87/981276587.db2.gz AUCBAYCHPBQBOF-AWEZNQCLSA-N -1 0 345.786 3.932 20 0 EHADRM CC[C@H]1c2ccccc2CN1C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595503826 981277118 /nfs/dbraw/zinc/27/71/18/981277118.db2.gz DFRGJCGPNLRSNO-GWCFXTLKSA-N -1 0 345.424 3.579 20 0 EHADRM CC/C=C(/F)C(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001595507875 981294072 /nfs/dbraw/zinc/29/40/72/981294072.db2.gz NWNFZYONKUVXSR-LZWSPWQCSA-N -1 0 330.315 3.774 20 0 EHADRM CC/C=C(\F)C(=O)N(C)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001595508816 981297989 /nfs/dbraw/zinc/29/79/89/981297989.db2.gz XVXWESPQSBXCGZ-DUWGPSABSA-N -1 0 334.174 3.841 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)c2ccc(F)c3occc32)CCC1 ZINC000908327785 981298827 /nfs/dbraw/zinc/29/88/27/981298827.db2.gz GVIHLUMMBDMDHD-UHFFFAOYSA-N -1 0 333.359 3.727 20 0 EHADRM CCC[C@H](C(=O)NCCCCC1(C(=O)[O-])CCC1)c1ccccn1 ZINC000908332377 981300445 /nfs/dbraw/zinc/30/04/45/981300445.db2.gz DVOWBXDNJCSJJZ-HNNXBMFYSA-N -1 0 332.444 3.507 20 0 EHADRM COc1c(NC(=O)CC(C)(C)c2ccccc2)cccc1C(=O)[O-] ZINC000908508160 981319902 /nfs/dbraw/zinc/31/99/02/981319902.db2.gz PMIKURLPIRXNPW-UHFFFAOYSA-N -1 0 327.380 3.700 20 0 EHADRM Cc1ccccc1[C@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000908607241 981328816 /nfs/dbraw/zinc/32/88/16/981328816.db2.gz ZSUUCHZGGOILGC-SUMWQHHRSA-N -1 0 329.371 3.570 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000908653508 981335243 /nfs/dbraw/zinc/33/52/43/981335243.db2.gz FIBDILOFJMQGSY-QGZVFWFLSA-N -1 0 345.439 3.581 20 0 EHADRM CCCC(=CC(=O)N1CCc2c(C(=O)[O-])ccc(OC)c2C1)CCC ZINC001595522210 981344592 /nfs/dbraw/zinc/34/45/92/981344592.db2.gz NJHPEQCSFTUAHK-UHFFFAOYSA-N -1 0 345.439 3.805 20 0 EHADRM O=C([O-])C12CCC(C(=O)Nc3ccc4oc(C5CC5)nc4c3)(CC1)C2 ZINC000908724699 981348440 /nfs/dbraw/zinc/34/84/40/981348440.db2.gz KYCCQNWVBJTPDG-UHFFFAOYSA-N -1 0 340.379 3.679 20 0 EHADRM CCN(CCc1ccccc1)C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000908741739 981351673 /nfs/dbraw/zinc/35/16/73/981351673.db2.gz HFLNHFJLCBVHRF-UHFFFAOYSA-N -1 0 329.440 3.503 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000908765369 981357792 /nfs/dbraw/zinc/35/77/92/981357792.db2.gz GZTSKWBQFVHVIQ-CQSZACIVSA-N -1 0 333.771 3.537 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000908769748 981358651 /nfs/dbraw/zinc/35/86/51/981358651.db2.gz WLKLLKDHJQEXGB-GOSISDBHSA-N -1 0 345.370 3.707 20 0 EHADRM O=C([O-])Cc1occc1C(=O)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000908773452 981360071 /nfs/dbraw/zinc/36/00/71/981360071.db2.gz JZHFLNBSECQVFL-UHFFFAOYSA-N -1 0 347.798 3.759 20 0 EHADRM CCCC(=O)Nc1ccc(CNc2nc(C(=O)[O-])c(C)s2)cc1 ZINC001595529552 981364838 /nfs/dbraw/zinc/36/48/38/981364838.db2.gz YOTBXNOHXQWZHB-UHFFFAOYSA-N -1 0 333.413 3.500 20 0 EHADRM CCC[C@H](C(=O)N1CCCc2ccc(C(=O)[O-])cc21)c1ccccn1 ZINC001595532133 981370091 /nfs/dbraw/zinc/37/00/91/981370091.db2.gz FHOFAYKRVUFGHX-INIZCTEOSA-N -1 0 338.407 3.643 20 0 EHADRM Cc1c(NC(=O)c2ccc(N3CCCCC3)cc2)cccc1C(=O)[O-] ZINC000908833819 981371149 /nfs/dbraw/zinc/37/11/49/981371149.db2.gz BHZFTEJWIZCHHM-UHFFFAOYSA-N -1 0 338.407 3.936 20 0 EHADRM CCC[C@@H](C(=O)NCc1ccccc1CC(=O)[O-])c1ccccc1 ZINC001595536041 981379697 /nfs/dbraw/zinc/37/96/97/981379697.db2.gz NDSBLRPSPPYDTO-GOSISDBHSA-N -1 0 325.408 3.514 20 0 EHADRM Cc1nc(CC(C)C)oc1C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000908943193 981390255 /nfs/dbraw/zinc/39/02/55/981390255.db2.gz HLBVZTSRPMGZRH-OAHLLOKOSA-N -1 0 344.411 3.517 20 0 EHADRM Cc1ccc(CCC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])s1 ZINC000909067517 981410346 /nfs/dbraw/zinc/41/03/46/981410346.db2.gz HLDHAGSCPRVIHM-GUYCJALGSA-N -1 0 331.437 3.567 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)[C@@H]2CCCCS2)c2ccccc12 ZINC000909072074 981413067 /nfs/dbraw/zinc/41/30/67/981413067.db2.gz UCIRKTOLVTYDLV-INIZCTEOSA-N -1 0 345.420 3.527 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@]1(c2ccccc2)C[C@H](F)C1 ZINC000909085396 981416457 /nfs/dbraw/zinc/41/64/57/981416457.db2.gz BSYWFMYIIMNXAJ-RHDGDCLCSA-N -1 0 327.355 3.702 20 0 EHADRM CCC[C@](C)(NC(=O)Nc1cccc(CC(=O)[O-])n1)c1ccccc1 ZINC001595547651 981421511 /nfs/dbraw/zinc/42/15/11/981421511.db2.gz XHYHVMZIEKUYTI-IBGZPJMESA-N -1 0 341.411 3.546 20 0 EHADRM C[C@@H](C(=O)NCCCCCCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000909147365 981427611 /nfs/dbraw/zinc/42/76/11/981427611.db2.gz RUCFDHLRDWWQEK-GFCCVEGCSA-N -1 0 345.361 3.960 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 ZINC000909311772 981466912 /nfs/dbraw/zinc/46/69/12/981466912.db2.gz NTOPRGQRSIWZPE-GHMZBOCLSA-N -1 0 331.334 3.678 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)C2C[C@H]3CC[C@@H](C2)S3)cc1 ZINC000909334817 981470626 /nfs/dbraw/zinc/47/06/26/981470626.db2.gz HEQYCHRUNNFZFI-SFESLNEESA-N -1 0 349.452 3.543 20 0 EHADRM CC(C)(CC(=O)Nc1ccc(OCCCC(=O)[O-])cc1)CC(F)F ZINC000909336479 981470849 /nfs/dbraw/zinc/47/08/49/981470849.db2.gz YTWYBIDKYBIWIG-UHFFFAOYSA-N -1 0 343.370 3.940 20 0 EHADRM CCC[C@@H](C)CC(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001595570330 981472665 /nfs/dbraw/zinc/47/26/65/981472665.db2.gz AZJARFPJTVCYRD-GFCCVEGCSA-N -1 0 346.452 3.951 20 0 EHADRM CCS[C@@H]1CCC[C@H](NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1 ZINC000909415801 981489691 /nfs/dbraw/zinc/48/96/91/981489691.db2.gz RSFBTHLRTDAPQL-BULQSVBWSA-N -1 0 339.501 3.592 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1CCC[C@@H]1c1ccccc1)CC2 ZINC000909450832 981494798 /nfs/dbraw/zinc/49/47/98/981494798.db2.gz OQYVRNOHHDUHIJ-WOJBJXKFSA-N -1 0 349.430 3.853 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c2nccc(C)c2c1 ZINC000909478038 981505011 /nfs/dbraw/zinc/50/50/11/981505011.db2.gz LSMBDMALNMQWTF-HNNXBMFYSA-N -1 0 340.423 3.569 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)CCCCc2ccccc2)C1 ZINC000909485487 981506259 /nfs/dbraw/zinc/50/62/59/981506259.db2.gz AWCIZSBQDADLOK-KRWDZBQOSA-N -1 0 331.456 3.749 20 0 EHADRM CC(C)[C@@H]1C[C@H](CC(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)CCO1 ZINC000909523559 981528954 /nfs/dbraw/zinc/52/89/54/981528954.db2.gz OMWXZJSCCCMNBE-KYJSFNMBSA-N -1 0 347.455 3.730 20 0 EHADRM CSc1cc(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)c(C)o1 ZINC000909537095 981536616 /nfs/dbraw/zinc/53/66/16/981536616.db2.gz UOJQQPFBIZCMBX-CQSZACIVSA-N -1 0 347.436 3.516 20 0 EHADRM CCC[C@@H](CCc1ccccc1)NC(=O)NCc1cc(C(=O)[O-])co1 ZINC001595592203 981550464 /nfs/dbraw/zinc/55/04/64/981550464.db2.gz WDSDGGNBXWBSAJ-INIZCTEOSA-N -1 0 344.411 3.579 20 0 EHADRM CCC[C@@H](CNc1nc(C)nc2sc(C(=O)[O-])c(C)c21)OCC ZINC001595593589 981557854 /nfs/dbraw/zinc/55/78/54/981557854.db2.gz CTDYWILEZRDZIM-NSHDSACASA-N -1 0 337.445 3.623 20 0 EHADRM CCC[C@H](NC(=O)NCc1ccc(C(=O)[O-])c(OC)c1)C1CCCC1 ZINC001595600131 981577042 /nfs/dbraw/zinc/57/70/42/981577042.db2.gz LHIVHTHFEFFEAC-INIZCTEOSA-N -1 0 348.443 3.552 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N(CC1CC1)c1cccc(C(F)(F)F)c1 ZINC001594741837 981615054 /nfs/dbraw/zinc/61/50/54/981615054.db2.gz VIHNLJZBPRHSSD-ZDUSSCGKSA-N -1 0 329.318 3.559 20 0 EHADRM CCCC1(CNC(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)CC1 ZINC001595617403 981652996 /nfs/dbraw/zinc/65/29/96/981652996.db2.gz ZRLXPHQGNRWMLW-UHFFFAOYSA-N -1 0 328.771 3.879 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)C2(Cc3ccc(F)cc3)CC2)cc1 ZINC000909835660 981654866 /nfs/dbraw/zinc/65/48/66/981654866.db2.gz HZQCIBJWRKJZAU-ZDUSSCGKSA-N -1 0 341.382 3.975 20 0 EHADRM CCC[C@@]1(CO)CCN(c2c(Cl)cc(Cl)cc2C(=O)[O-])C1 ZINC001595618073 981660716 /nfs/dbraw/zinc/66/07/16/981660716.db2.gz KGJNKZYVQCFEBP-OAHLLOKOSA-N -1 0 332.227 3.681 20 0 EHADRM O=C([O-])CC[C@H](CC1CCCCC1)NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC000909843866 981666426 /nfs/dbraw/zinc/66/64/26/981666426.db2.gz JVAVBULWFWSROH-FGTMMUONSA-N -1 0 344.455 3.505 20 0 EHADRM O=C([O-])c1cccc2c1CN(C(=O)CC[C@@H]1CCc3ccccc31)CC2 ZINC000909867180 981690566 /nfs/dbraw/zinc/69/05/66/981690566.db2.gz ZYSYVDVELBZXBL-KRWDZBQOSA-N -1 0 349.430 3.780 20 0 EHADRM CCC[C@H]1C[C@@H](C(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)CCO1 ZINC001595620542 981690755 /nfs/dbraw/zinc/69/07/55/981690755.db2.gz LJYWMLRKDBOSAK-QWRGUYRKSA-N -1 0 326.776 3.539 20 0 EHADRM CCC[C@@H]1CCC[C@H]1C(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)[O-] ZINC001595621057 981695898 /nfs/dbraw/zinc/69/58/98/981695898.db2.gz AYXTVXFKVBNZJM-KZNAEPCWSA-N -1 0 331.456 3.571 20 0 EHADRM C[C@@H](C(=O)NC[C@@H](CC1CC1)C(=O)[O-])c1ccc2ccccc2c1 ZINC000909881730 981695926 /nfs/dbraw/zinc/69/59/26/981695926.db2.gz QLHXBTPBIWVNNE-FZKQIMNGSA-N -1 0 325.408 3.560 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)CC)CC2 ZINC001594762602 981699297 /nfs/dbraw/zinc/69/92/97/981699297.db2.gz WXDSOZBUALCCEG-WDEREUQCSA-N -1 0 338.473 3.734 20 0 EHADRM CC(C)[C@H](CC(=O)NC(C)(C)c1cc(C(=O)[O-])on1)c1ccccc1 ZINC000909926856 981704186 /nfs/dbraw/zinc/70/41/86/981704186.db2.gz VEFFVJYSNBIKIN-AWEZNQCLSA-N -1 0 344.411 3.554 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cscc2C(F)F)[C@H]2CCCC[C@@H]12 ZINC000909961956 981715362 /nfs/dbraw/zinc/71/53/62/981715362.db2.gz MULFMFWFUAQODE-CWSCBRNRSA-N -1 0 343.395 3.791 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cscc2C(F)F)[C@H]2CCCC[C@H]12 ZINC000909961954 981715401 /nfs/dbraw/zinc/71/54/01/981715401.db2.gz MULFMFWFUAQODE-BREBYQMCSA-N -1 0 343.395 3.791 20 0 EHADRM CCC[C@H]1CCC[C@@H]1C(=O)Nc1nc2nc(C)cc(C(=O)[O-])c2s1 ZINC001595622959 981715657 /nfs/dbraw/zinc/71/56/57/981715657.db2.gz YISHQCHZNUNBIF-QWRGUYRKSA-N -1 0 347.440 3.853 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1ccc(C(C)(C)C)cn1)c1ccccc1 ZINC001594770712 981742067 /nfs/dbraw/zinc/74/20/67/981742067.db2.gz MXAHWAXGTVQFHC-KRWDZBQOSA-N -1 0 340.423 3.889 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1nc(C(C)C)oc1C)c1ccccc1 ZINC001594771191 981745968 /nfs/dbraw/zinc/74/59/68/981745968.db2.gz QPLQAXSDWBNKLH-AWEZNQCLSA-N -1 0 330.384 3.616 20 0 EHADRM CC[C@H](C(=O)Oc1c(OC)cccc1C(=O)[O-])c1ccc(OC)cc1 ZINC001594778699 981780686 /nfs/dbraw/zinc/78/06/86/981780686.db2.gz ZCECTTDZWHHISY-AWEZNQCLSA-N -1 0 344.363 3.501 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)CC[C@H]1CCc2ccccc21 ZINC001594783513 981795176 /nfs/dbraw/zinc/79/51/76/981795176.db2.gz XZCVYMJEJYIKKO-DYESRHJHSA-N -1 0 343.467 3.989 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(F)c3ccccc23)[C@@H]2CCC[C@@H]21 ZINC000910237303 981802704 /nfs/dbraw/zinc/80/27/04/981802704.db2.gz AMUUSDXGSFXKPZ-QGPMSJSTSA-N -1 0 341.382 3.694 20 0 EHADRM CCCC[C@H](C)C(=O)N(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001595631060 981833268 /nfs/dbraw/zinc/83/32/68/981833268.db2.gz ZWTBJINVAAARTB-XPTSAGLGSA-N -1 0 331.334 3.514 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(OC(C)C)cc1 ZINC001594789427 981839522 /nfs/dbraw/zinc/83/95/22/981839522.db2.gz AIWSUDAERSTFHL-IBGZPJMESA-N -1 0 333.428 3.579 20 0 EHADRM CCCC[C@@H](CC)C(=O)NCc1ccccc1-c1cc(C(=O)[O-])n[nH]1 ZINC001595631912 981846380 /nfs/dbraw/zinc/84/63/80/981846380.db2.gz JUSMNODYMVHBSN-CYBMUJFWSA-N -1 0 343.427 3.608 20 0 EHADRM Cc1nc(C2CCCCC2)sc1C(=O)N1C2CCC1(C(=O)[O-])CC2 ZINC000910295842 981849740 /nfs/dbraw/zinc/84/97/40/981849740.db2.gz OXECJHWEECHYFY-UHFFFAOYSA-N -1 0 348.468 3.721 20 0 EHADRM CCCC[C@H](CC)CNC(=O)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001595632696 981859168 /nfs/dbraw/zinc/85/91/68/981859168.db2.gz NJUJCOHTRIAQFQ-AWEZNQCLSA-N -1 0 348.443 3.505 20 0 EHADRM CCCC[C@H](CC)CNC(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001595632793 981860756 /nfs/dbraw/zinc/86/07/56/981860756.db2.gz QXNFVGRQIHTDHJ-JXFKEZNVSA-N -1 0 346.471 3.641 20 0 EHADRM CCCC[C@H](CC)CNC(=S)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001595632890 981862213 /nfs/dbraw/zinc/86/22/13/981862213.db2.gz VAMFJZAGKIGHOT-MNOVXSKESA-N -1 0 343.518 3.583 20 0 EHADRM Cc1cc(CNC(=O)CCCc2ccc(C3CC3)cc2)oc1C(=O)[O-] ZINC000910304154 981862557 /nfs/dbraw/zinc/86/25/57/981862557.db2.gz WDKPWYHZHWBBQO-UHFFFAOYSA-N -1 0 341.407 3.803 20 0 EHADRM CCCCc1cc(N2CCC[C@H]2c2nc(C(=O)[O-])c(C)s2)ncn1 ZINC000910314609 981869810 /nfs/dbraw/zinc/86/98/10/981869810.db2.gz LEPUTXBBZRYAOU-ZDUSSCGKSA-N -1 0 346.456 3.624 20 0 EHADRM CCCC[C@@H](CCC)NC(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC001595633887 981877888 /nfs/dbraw/zinc/87/78/88/981877888.db2.gz YUPLVSILXSDWBI-LLVKDONJSA-N -1 0 327.450 3.641 20 0 EHADRM CCC(C)(C)C1CCC(NC(=O)c2cccc(OCC(=O)[O-])c2)CC1 ZINC001594796903 981882587 /nfs/dbraw/zinc/88/25/87/981882587.db2.gz QQLFAYXEHYZTPQ-UHFFFAOYSA-N -1 0 347.455 3.875 20 0 EHADRM CCCC[C@H](Cc1ccccn1)OC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001595634802 981893836 /nfs/dbraw/zinc/89/38/36/981893836.db2.gz WAWDXQVVLSZGPH-BFYDXBDKSA-N -1 0 333.428 3.617 20 0 EHADRM CCCC[C@@H](NC(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1)C(=O)[O-] ZINC001595636713 981921852 /nfs/dbraw/zinc/92/18/52/981921852.db2.gz LWPUMEKCCZWZLJ-OAHLLOKOSA-N -1 0 330.428 3.839 20 0 EHADRM CCCC[C@@H](N[C@H](C)c1nc(-c2ccc(Cl)cc2)no1)C(=O)[O-] ZINC001595637418 981931192 /nfs/dbraw/zinc/93/11/92/981931192.db2.gz GNGKEJPIDKDJAX-ZWNOBZJWSA-N -1 0 337.807 3.684 20 0 EHADRM CC(C)C[C@H](NC(=O)c1ccc([C@H](C)C(F)(F)F)cc1)C(=O)[O-] ZINC000910463878 981947434 /nfs/dbraw/zinc/94/74/34/981947434.db2.gz UPBHTTTXDBTAJO-GWCFXTLKSA-N -1 0 331.334 3.582 20 0 EHADRM CCCC[C@@H](OC(=O)c1cc(C)sc1Br)C(=O)[O-] ZINC001595650013 982008014 /nfs/dbraw/zinc/00/80/14/982008014.db2.gz GABBONICARXEOD-SECBINFHSA-N -1 0 335.219 3.619 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)c1cccc(OC)c1 ZINC000910617817 982021512 /nfs/dbraw/zinc/02/15/12/982021512.db2.gz CPKRJKGZGOADQE-GFCCVEGCSA-N -1 0 343.379 3.534 20 0 EHADRM CCC[C@@H]1CCc2nc(NC(=O)c3ccoc3CC(=O)[O-])sc2C1 ZINC000910629204 982034182 /nfs/dbraw/zinc/03/41/82/982034182.db2.gz RLSUARHGFONITN-SNVBAGLBSA-N -1 0 348.424 3.521 20 0 EHADRM CCCC[C@@H](S[C@H](C)C(=O)N(CC)C1CCCCC1)C(=O)[O-] ZINC001595653020 982038748 /nfs/dbraw/zinc/03/87/48/982038748.db2.gz ZVOYTJRQPJQVIV-UKRRQHHQSA-N -1 0 329.506 3.933 20 0 EHADRM CC(C)(C)c1ccccc1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000910646617 982038700 /nfs/dbraw/zinc/03/87/00/982038700.db2.gz WVLQSQPLXKLYHQ-UHFFFAOYSA-N -1 0 332.425 3.710 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)Nc2nc(CCC(=O)[O-])cs2)cc1 ZINC000910646637 982038920 /nfs/dbraw/zinc/03/89/20/982038920.db2.gz XIVRCWSTBBAJEI-UHFFFAOYSA-N -1 0 348.424 3.590 20 0 EHADRM CCCC[C@@H](S[C@H]1CCN(c2ccccc2Cl)C1=O)C(=O)[O-] ZINC001595654116 982040003 /nfs/dbraw/zinc/04/00/03/982040003.db2.gz ANSPRBZMRRNGRP-UONOGXRCSA-N -1 0 341.860 3.822 20 0 EHADRM CCCC[C@@H](SCc1nc2ccc(Cl)cc2c(=O)[nH]1)C(=O)[O-] ZINC001595656784 982055867 /nfs/dbraw/zinc/05/58/67/982055867.db2.gz BFTKCJPZKHBNEH-GFCCVEGCSA-N -1 0 340.832 3.865 20 0 EHADRM CC(C)c1sc(NC(=O)[C@H]2CCc3cc(F)ccc32)nc1C(=O)[O-] ZINC000910705145 982074860 /nfs/dbraw/zinc/07/48/60/982074860.db2.gz CNZVRZAPIJGKPK-LBPRGKRZSA-N -1 0 348.399 3.772 20 0 EHADRM CCCCC1CCC(C(=O)NC(C)(C)c2nocc2C(=O)[O-])CC1 ZINC001595661644 982076737 /nfs/dbraw/zinc/07/67/37/982076737.db2.gz WRRWDZMHKPYJHP-UHFFFAOYSA-N -1 0 336.432 3.721 20 0 EHADRM CC[C@H](C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)c1ccc(F)cc1 ZINC000910734459 982096289 /nfs/dbraw/zinc/09/62/89/982096289.db2.gz ORCSBLSRJXLVOB-LBPRGKRZSA-N -1 0 348.399 3.990 20 0 EHADRM CCCCC[C@H](CC)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001595668999 982112273 /nfs/dbraw/zinc/11/22/73/982112273.db2.gz FRIYJTCVPMCHBT-RYQLBKOJSA-N -1 0 331.456 3.920 20 0 EHADRM CCCCC[C@H](CC)C(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001595670992 982122156 /nfs/dbraw/zinc/12/21/56/982122156.db2.gz WVXPKFWFJKCTMM-CQDIZWNASA-N -1 0 341.517 3.838 20 0 EHADRM CCCCC[C@H](NC(=O)Cc1cc2cc(Cl)ccc2[nH]1)C(=O)[O-] ZINC001595673478 982142967 /nfs/dbraw/zinc/14/29/67/982142967.db2.gz ZMVLTMDZOVZSLS-HNNXBMFYSA-N -1 0 336.819 3.514 20 0 EHADRM CC/C(C)=C(/C)C(=O)NCc1ccc(C(=O)[O-])cc1Br ZINC001594862393 982155040 /nfs/dbraw/zinc/15/50/40/982155040.db2.gz WHIKYUAMUJBWTP-KTKRTIGZSA-N -1 0 340.217 3.510 20 0 EHADRM CSc1ccc(NC(=O)c2ncsc2C(C)C)cc1C(=O)[O-] ZINC000910948125 982172758 /nfs/dbraw/zinc/17/27/58/982172758.db2.gz URLQKBJWIFVHPG-UHFFFAOYSA-N -1 0 336.438 3.939 20 0 EHADRM CCCCC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001595689508 982186653 /nfs/dbraw/zinc/18/66/53/982186653.db2.gz CHGMZASTTGBXCE-LBPRGKRZSA-N -1 0 345.486 3.570 20 0 EHADRM CCCCCC[C@H](C)C(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001595694892 982215372 /nfs/dbraw/zinc/21/53/72/982215372.db2.gz KJDPHYOSLVVLEX-ZDUSSCGKSA-N -1 0 331.416 3.666 20 0 EHADRM CCCCCC[C@@H](C)C(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001595694891 982215461 /nfs/dbraw/zinc/21/54/61/982215461.db2.gz KJDPHYOSLVVLEX-CYBMUJFWSA-N -1 0 331.416 3.666 20 0 EHADRM Cc1c(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)cnn1C1CCCCC1 ZINC000911072097 982225971 /nfs/dbraw/zinc/22/59/71/982225971.db2.gz GMDDMHDGJZQZMI-UHFFFAOYSA-N -1 0 341.411 3.956 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)Nc2ccccc2N2CCCCC2)c1 ZINC000911092380 982231707 /nfs/dbraw/zinc/23/17/07/982231707.db2.gz OPDZNTLSSUBYCM-UHFFFAOYSA-N -1 0 338.407 3.556 20 0 EHADRM CCCCCC[C@@H](CC)C(=O)N(C)c1nc(CC(=O)[O-])cs1 ZINC001595696606 982232318 /nfs/dbraw/zinc/23/23/18/982232318.db2.gz CVJMROAYBMBUHL-GFCCVEGCSA-N -1 0 326.462 3.730 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)CCCc1ccc2ccccc2c1)C(=O)[O-] ZINC001594887976 982276343 /nfs/dbraw/zinc/27/63/43/982276343.db2.gz WXQASHMWGJASMK-AUUYWEPGSA-N -1 0 327.424 3.778 20 0 EHADRM CCCCCCO[C@H](C)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC001595711347 982299444 /nfs/dbraw/zinc/29/94/44/982299444.db2.gz VGMYKUJGFLLOCQ-SNVBAGLBSA-N -1 0 340.445 3.643 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)Nc1cccc(N2CCCC2)c1 ZINC000911228776 982302583 /nfs/dbraw/zinc/30/25/83/982302583.db2.gz RGVQTMRLUPXMFR-UHFFFAOYSA-N -1 0 338.407 3.556 20 0 EHADRM O=C([O-])c1coc(/C=C\C(=O)N2CCCCC[C@@H]2c2ccncc2)c1 ZINC000911233933 982305040 /nfs/dbraw/zinc/30/50/40/982305040.db2.gz KUVAGWNOZDWNIF-KEGWNNHHSA-N -1 0 340.379 3.530 20 0 EHADRM CCC(CC)C(=O)N(Cc1ccoc1C(=O)[O-])[C@@H](C)c1ccccn1 ZINC000911328926 982354043 /nfs/dbraw/zinc/35/40/43/982354043.db2.gz WSYNCBXUUPPQDY-ZDUSSCGKSA-N -1 0 344.411 3.899 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)Nc1ccc(C)c(C(=O)[O-])c1)C(F)(F)F ZINC001594908719 982401631 /nfs/dbraw/zinc/40/16/31/982401631.db2.gz JIQVQFPHXOYPFO-QPUJVOFHSA-N -1 0 332.322 3.792 20 0 EHADRM O=C([O-])C1(C(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)CC2(CCC2)C1 ZINC000911389416 982413628 /nfs/dbraw/zinc/41/36/28/982413628.db2.gz JHKHFXVKVUXQOI-NEPJUHHUSA-N -1 0 347.377 3.506 20 0 EHADRM O=C([O-])Cc1occc1C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000911424051 982425774 /nfs/dbraw/zinc/42/57/74/982425774.db2.gz OPFFYUUSQGMLRV-UHFFFAOYSA-N -1 0 342.395 3.539 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC001594913084 982428002 /nfs/dbraw/zinc/42/80/02/982428002.db2.gz XLOGAHBXBCXKCE-WRWORJQWSA-N -1 0 337.725 3.588 20 0 EHADRM CC(C)C[C@@H]1CCCN(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])C1 ZINC000911459219 982441466 /nfs/dbraw/zinc/44/14/66/982441466.db2.gz JSLZFGGSVZYYAG-AWEZNQCLSA-N -1 0 342.439 3.693 20 0 EHADRM CCCCO[C@H]1C[C@H](NC(=O)Nc2cc(C(=O)[O-])ccc2C)C1(C)C ZINC001595769246 982496251 /nfs/dbraw/zinc/49/62/51/982496251.db2.gz ABSQUZUJUYAUOX-HOTGVXAUSA-N -1 0 348.443 3.799 20 0 EHADRM COC(C)(C)CN(C)C(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000911587615 982518388 /nfs/dbraw/zinc/51/83/88/982518388.db2.gz VAZXHIDUQXLGDZ-UHFFFAOYSA-N -1 0 341.407 3.549 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N[C@@](C)(CC(=O)[O-])c2ccccn2)s1 ZINC000911615626 982548217 /nfs/dbraw/zinc/54/82/17/982548217.db2.gz CDMMITVMUIETKN-SFHVURJKSA-N -1 0 346.452 3.561 20 0 EHADRM C/C(=C\C1CCC(C)CC1)C(=O)N[C@@](C)(CC(=O)[O-])c1ccccn1 ZINC000911623802 982567172 /nfs/dbraw/zinc/56/71/72/982567172.db2.gz NNRLGCZTANNZEL-KYUBUUTCSA-N -1 0 344.455 3.660 20 0 EHADRM CCCCSCCC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001595789069 982586684 /nfs/dbraw/zinc/58/66/84/982586684.db2.gz MHSNSBPRUQEZRO-INIZCTEOSA-N -1 0 337.485 3.878 20 0 EHADRM O=C([O-])C1(C(=O)N2CCC(c3cccc(Cl)c3Cl)CC2)CC1 ZINC000911673304 982598998 /nfs/dbraw/zinc/59/89/98/982598998.db2.gz FPKOFVITSUPVET-UHFFFAOYSA-N -1 0 342.222 3.564 20 0 EHADRM CCCCc1ccc(OS(=O)(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC001595795854 982599015 /nfs/dbraw/zinc/59/90/15/982599015.db2.gz BWMKIJUCWJKMEZ-UHFFFAOYSA-N -1 0 340.422 3.557 20 0 EHADRM CC(C)Oc1c(NC(=O)c2cccc(C(C)C)n2)cccc1C(=O)[O-] ZINC000911738067 982620641 /nfs/dbraw/zinc/62/06/41/982620641.db2.gz NXPSZCHLOWQYCK-UHFFFAOYSA-N -1 0 342.395 3.943 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)Cc1cccc(Cl)c1Cl)C(=O)[O-] ZINC001594943097 982622468 /nfs/dbraw/zinc/62/24/68/982622468.db2.gz UUMWFQSYUHGFII-BXKDBHETSA-N -1 0 332.227 3.542 20 0 EHADRM Cc1cc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)oc1C(=O)[O-] ZINC000911744378 982626396 /nfs/dbraw/zinc/62/63/96/982626396.db2.gz WGIJFELVKKYYNK-MUJYYYPQSA-N -1 0 339.391 3.837 20 0 EHADRM CCCCn1ncc(NC(=O)Nc2ccc(C(=O)[O-])cc2CC)c1C ZINC001595807027 982632413 /nfs/dbraw/zinc/63/24/13/982632413.db2.gz AYPMGLXXWQCMSX-UHFFFAOYSA-N -1 0 344.415 3.896 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)c1ccc(OC(F)(F)F)c(C)c1)C(=O)[O-] ZINC001594945325 982632613 /nfs/dbraw/zinc/63/26/13/982632613.db2.gz BBOAGRFIWBUNDV-SKDRFNHKSA-N -1 0 347.333 3.513 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)c1cncc(-c2ccc(C)cc2)c1)C(=O)[O-] ZINC001594950016 982656125 /nfs/dbraw/zinc/65/61/25/982656125.db2.gz QGDOCGQWVQJUEV-ACJLOTCBSA-N -1 0 340.423 3.676 20 0 EHADRM CCCN(C(=O)CCCOc1ccc(Cl)c(C)c1)[C@@H](C)C(=O)[O-] ZINC001595817031 982677486 /nfs/dbraw/zinc/67/74/86/982677486.db2.gz OGJDYCZBVXRKOQ-ZDUSSCGKSA-N -1 0 341.835 3.519 20 0 EHADRM CC[C@@H](C)CCC(=O)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001594956879 982690382 /nfs/dbraw/zinc/69/03/82/982690382.db2.gz HXWDWDVASVCADQ-QMTHXVAHSA-N -1 0 331.334 3.774 20 0 EHADRM CC[C@@H](C)CC[C@@H](O)CC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001594957167 982691464 /nfs/dbraw/zinc/69/14/64/982691464.db2.gz KHUANNSDGRAMEZ-QMTHXVAHSA-N -1 0 327.808 3.554 20 0 EHADRM CC[C@@H](C)CCC(=O)Oc1ccc(Br)cc1C(=O)[O-] ZINC001594958020 982694115 /nfs/dbraw/zinc/69/41/15/982694115.db2.gz OYJLECRSOLRZHE-SECBINFHSA-N -1 0 329.190 3.879 20 0 EHADRM Cc1ccc(NC(=O)C[C@H]2CCC[C@@H](C(F)(F)F)O2)cc1C(=O)[O-] ZINC000923063195 982702389 /nfs/dbraw/zinc/70/23/89/982702389.db2.gz CWMBLPIRDUVHLJ-YPMHNXCESA-N -1 0 345.317 3.522 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)C1(c2ccc(F)cc2)CCC1 ZINC000923090893 982716751 /nfs/dbraw/zinc/71/67/51/982716751.db2.gz GLNLIUJSPPMBPY-UHFFFAOYSA-N -1 0 333.384 3.954 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000923091979 982717494 /nfs/dbraw/zinc/71/74/94/982717494.db2.gz SZNCGSCPZQRIJH-UHFFFAOYSA-N -1 0 347.440 3.836 20 0 EHADRM COc1cc(OC2CC2)ccc1C(=O)Nc1cc(C(=O)[O-])sc1C ZINC000923096109 982720357 /nfs/dbraw/zinc/72/03/57/982720357.db2.gz TWIYRAKZJHQZAI-UHFFFAOYSA-N -1 0 347.392 3.557 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000923154299 982768824 /nfs/dbraw/zinc/76/88/24/982768824.db2.gz NLFMJMAQRKQEHP-XEKGUZQTSA-N -1 0 337.419 3.655 20 0 EHADRM CC[C@@H](C)N1C(=O)N[C@@H](c2ccc(Cl)s2)C(C(=O)[O-])=C1C ZINC001594985318 982799151 /nfs/dbraw/zinc/79/91/51/982799151.db2.gz MXJNECRQRBQLHV-KRTXAFLBSA-N -1 0 328.821 3.625 20 0 EHADRM CC[C@H](C)N1C(=O)N[C@@H](c2ccsc2Cl)C(C(=O)[O-])=C1C ZINC001594985626 982805367 /nfs/dbraw/zinc/80/53/67/982805367.db2.gz WKBWVODKSRVPKU-CPCISQLKSA-N -1 0 328.821 3.625 20 0 EHADRM CCCN(CC(F)F)[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001595864268 982815429 /nfs/dbraw/zinc/81/54/29/982815429.db2.gz ZMWGPHDFBLINAR-LBPRGKRZSA-N -1 0 325.277 3.808 20 0 EHADRM CC(C)=C[C@H]1[C@@H](C(=O)Nc2cc(-c3n[nH]c(=O)[n-]3)ccc2C)C1(C)C ZINC000655050611 1014882521 /nfs/dbraw/zinc/88/25/21/1014882521.db2.gz QENDJSOFIMQTQP-ZFWWWQNUSA-N -1 0 340.427 3.663 20 0 EHADRM CCCN(C[C@@H]1CCCCO1)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC001595870672 982856261 /nfs/dbraw/zinc/85/62/61/982856261.db2.gz UHKKEGFVBBMTLS-HNNXBMFYSA-N -1 0 334.416 3.506 20 0 EHADRM CCCN(CC)c1ccc(C(=O)Oc2cccc(C(=O)[O-])c2)cc1 ZINC001595870807 982857689 /nfs/dbraw/zinc/85/76/89/982857689.db2.gz YEBVZVSTWFRAMS-UHFFFAOYSA-N -1 0 327.380 3.840 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)N[C@@](C)(CC(=O)[O-])C1CC1 ZINC001595003744 982915650 /nfs/dbraw/zinc/91/56/50/982915650.db2.gz FJNWSECSBFZHEY-ROSITMIASA-N -1 0 345.439 3.637 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)N(CC(=O)[O-])C1CCCC1 ZINC001595004704 982918552 /nfs/dbraw/zinc/91/85/52/982918552.db2.gz LDELFKDYSOHREJ-LLNWESEBSA-N -1 0 345.439 3.733 20 0 EHADRM CC[C@H](C)c1ccc(C(=O)N[C@@](C)(CC(=O)[O-])c2ccncc2)cc1 ZINC001595010200 982939354 /nfs/dbraw/zinc/93/93/54/982939354.db2.gz OKUJKOJGPNMDKR-XOBRGWDASA-N -1 0 340.423 3.715 20 0 EHADRM CC[C@@H](C)c1ccc(C(=O)N[C@](C)(CC(=O)[O-])c2ccncc2)cc1 ZINC001595010196 982939555 /nfs/dbraw/zinc/93/95/55/982939555.db2.gz OKUJKOJGPNMDKR-JLTOFOAXSA-N -1 0 340.423 3.715 20 0 EHADRM CCCOc1cc(OC)ccc1C(=O)Nc1scc(C(=O)[O-])c1C ZINC001595951603 983124756 /nfs/dbraw/zinc/12/47/56/983124756.db2.gz GAXQHDKPIOHHSD-UHFFFAOYSA-N -1 0 349.408 3.804 20 0 EHADRM CCCOc1cc(OC)ccc1C(=O)Nc1scc(C)c1C(=O)[O-] ZINC001595952392 983127689 /nfs/dbraw/zinc/12/76/89/983127689.db2.gz NZTUFMYKXMTRJI-UHFFFAOYSA-N -1 0 349.408 3.804 20 0 EHADRM CCCOc1ccc(Cl)cc1C(=O)OCc1cccc(C(=O)[O-])n1 ZINC001595962130 983163722 /nfs/dbraw/zinc/16/37/22/983163722.db2.gz YIQRGHDGJLXJLW-UHFFFAOYSA-N -1 0 349.770 3.579 20 0 EHADRM CCCOc1cccc(C(=O)Oc2ccc(SCC(=O)[O-])cc2)c1 ZINC001595967336 983179215 /nfs/dbraw/zinc/17/92/15/983179215.db2.gz OHUQLEKZLDMBAD-UHFFFAOYSA-N -1 0 346.404 3.871 20 0 EHADRM CCCOc1cccc(NC(=O)NC[C@H](CC2CCCC2)C(=O)[O-])c1 ZINC001595969100 983188925 /nfs/dbraw/zinc/18/89/25/983188925.db2.gz LQVIWYKIYGVHEC-HNNXBMFYSA-N -1 0 348.443 3.878 20 0 EHADRM CCCc1c(C(=O)N(CC)Cc2ccccc2F)[nH]c(C)c1C(=O)[O-] ZINC001596030285 983297982 /nfs/dbraw/zinc/29/79/82/983297982.db2.gz HYYHCBRYFFCZOT-UHFFFAOYSA-N -1 0 346.402 3.775 20 0 EHADRM CCCc1c(C(=O)NC2CCC(C(F)F)CC2)[nH]c(C)c1C(=O)[O-] ZINC001596036231 983312351 /nfs/dbraw/zinc/31/23/51/983312351.db2.gz GIGWZKWBPBLIIW-UHFFFAOYSA-N -1 0 342.386 3.528 20 0 EHADRM CCCc1c(C(=O)Nc2cc(C)c(O)c(C)c2C)[nH]c(C)c1C(=O)[O-] ZINC001596045535 983334096 /nfs/dbraw/zinc/33/40/96/983334096.db2.gz QNWYVKYJADFHFX-UHFFFAOYSA-N -1 0 344.411 3.857 20 0 EHADRM CCCc1cc(C(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)sc1C ZINC001596055165 983357588 /nfs/dbraw/zinc/35/75/88/983357588.db2.gz IXJFHSARUBCDFJ-INIZCTEOSA-N -1 0 345.464 3.825 20 0 EHADRM CCCc1cc(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)ccc1Cl ZINC001596057071 983363420 /nfs/dbraw/zinc/36/34/20/983363420.db2.gz VYEUOTKBOCNHMA-UHFFFAOYSA-N -1 0 349.818 3.561 20 0 EHADRM CCCc1ccc([C@H](NC(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)C(C)C)cc1 ZINC001596062328 983371332 /nfs/dbraw/zinc/37/13/32/983371332.db2.gz FIKBGGPHEYBLOO-ZTFGCOKTSA-N -1 0 346.471 3.841 20 0 EHADRM CCCc1ccccc1NC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001596070417 983384752 /nfs/dbraw/zinc/38/47/52/983384752.db2.gz BQNUXWBSEQLYEV-SNVBAGLBSA-N -1 0 333.413 3.677 20 0 EHADRM CCCc1nc(C)c(C(=O)N2CCCc3c(C(=O)[O-])ccc(C)c32)o1 ZINC001596077872 983394830 /nfs/dbraw/zinc/39/48/30/983394830.db2.gz QSEKZPATKTZBQN-UHFFFAOYSA-N -1 0 342.395 3.535 20 0 EHADRM CCCc1nc(CN(CC(=O)[O-])Cc2ccc(Cl)cc2)cs1 ZINC001596089797 983414001 /nfs/dbraw/zinc/41/40/01/983414001.db2.gz NIORDTNDSQYCKC-UHFFFAOYSA-N -1 0 338.860 3.836 20 0 EHADRM CCCc1occc1C(=O)N1CCCC[C@@H]1c1ccc(C(=O)[O-])n1C ZINC001596102819 983428970 /nfs/dbraw/zinc/42/89/70/983428970.db2.gz XQYVGVOFJUWYEP-OAHLLOKOSA-N -1 0 344.411 3.636 20 0 EHADRM CCCn1c2ccccc2nc1CN1CCc2ccc(C(=O)[O-])cc2C1 ZINC001596108949 983437117 /nfs/dbraw/zinc/43/71/17/983437117.db2.gz YBCNRBGHSLWWDS-UHFFFAOYSA-N -1 0 349.434 3.703 20 0 EHADRM CCCn1ncc(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c1C1CC1 ZINC001596120844 983456765 /nfs/dbraw/zinc/45/67/65/983456765.db2.gz HPQUWHDNAHZUKI-GFCCVEGCSA-N -1 0 341.411 3.611 20 0 EHADRM CCN(C(=O)C1=Cc2cc(C)ccc2OC1)c1ccccc1C(=O)[O-] ZINC001596131850 983479876 /nfs/dbraw/zinc/47/98/76/983479876.db2.gz SXCCEJJFSIROMW-UHFFFAOYSA-N -1 0 337.375 3.522 20 0 EHADRM CCN(C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC001596137501 983486787 /nfs/dbraw/zinc/48/67/87/983486787.db2.gz LNWJCCAJGWSWAL-NWDGAFQWSA-N -1 0 343.345 3.949 20 0 EHADRM CCN(C(=O)Cc1ccc(C2CCC2)cc1)c1ncc(C(=O)[O-])s1 ZINC001596144023 983499183 /nfs/dbraw/zinc/49/91/83/983499183.db2.gz ZORZSRWMRGWTOD-UHFFFAOYSA-N -1 0 344.436 3.704 20 0 EHADRM CCN(C(=O)Nc1cc(C(=O)[O-])cc2cccnc21)C1CCCC1 ZINC001596150827 983511341 /nfs/dbraw/zinc/51/13/41/983511341.db2.gz QHYJJYDJDFCXRZ-UHFFFAOYSA-N -1 0 327.384 3.729 20 0 EHADRM CCN(C(=O)c1c[nH]c(C(=O)[O-])c1)[C@H](C)c1cc2ccccc2o1 ZINC001596161306 983525009 /nfs/dbraw/zinc/52/50/09/983525009.db2.gz RIOQTNPFFNLSOO-LLVKDONJSA-N -1 0 326.352 3.682 20 0 EHADRM CCN(C(=O)c1ccc(-c2ccccc2Cl)o1)C(C)(C)C(=O)[O-] ZINC001596164815 983528013 /nfs/dbraw/zinc/52/80/13/983528013.db2.gz FLRNCVXVXBSVKH-UHFFFAOYSA-N -1 0 335.787 3.925 20 0 EHADRM CCN(C(=O)c1ccc(C(=O)[O-])c(F)c1)[C@H](C)Cc1ccsc1 ZINC001596165605 983529953 /nfs/dbraw/zinc/52/99/53/983529953.db2.gz VUFVTRIVDPVTJI-LLVKDONJSA-N -1 0 335.400 3.679 20 0 EHADRM CCN(C(=O)c1csc(C(=O)[O-])n1)c1cccc(C(F)(F)F)c1 ZINC001596173414 983540164 /nfs/dbraw/zinc/54/01/64/983540164.db2.gz ZNNBGIMDNJVHFC-UHFFFAOYSA-N -1 0 344.314 3.527 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)C1(Cc2cccc(OC)c2)CCCCC1 ZINC001596304489 983732017 /nfs/dbraw/zinc/73/20/17/983732017.db2.gz YPXCOUATUMQSKX-UHFFFAOYSA-N -1 0 347.455 3.511 20 0 EHADRM CCN(CCC1CC1)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001596320544 983750666 /nfs/dbraw/zinc/75/06/66/983750666.db2.gz BKECAQHHGYONHJ-UHFFFAOYSA-N -1 0 342.342 3.640 20 0 EHADRM CCN(CCOc1ccccc1C)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001596345776 983794794 /nfs/dbraw/zinc/79/47/94/983794794.db2.gz UHOFTFPLSIWBDZ-UHFFFAOYSA-N -1 0 348.424 3.688 20 0 EHADRM CCN(CCc1ccc(C(F)(F)F)cc1)C(=O)C[C@H](C)CC(=O)[O-] ZINC001596348020 983801954 /nfs/dbraw/zinc/80/19/54/983801954.db2.gz YLTFEQLAGYEYLT-LBPRGKRZSA-N -1 0 345.361 3.597 20 0 EHADRM CCN(Cc1nc2c(s1)C[C@@H](C)CC2)Cc1ccc(C(=O)[O-])cc1 ZINC001596357435 983828766 /nfs/dbraw/zinc/82/87/66/983828766.db2.gz GYMDLUQPQSPMOT-ZDUSSCGKSA-N -1 0 344.480 3.988 20 0 EHADRM CCN(Cc1ccc(Cl)cc1)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001596359873 983836207 /nfs/dbraw/zinc/83/62/07/983836207.db2.gz QPJXYKLTSHBYSO-UHFFFAOYSA-N -1 0 334.803 3.645 20 0 EHADRM CCN(Cc1ccccc1F)Cc1ccccc1O[C@@H](C)C(=O)[O-] ZINC001596371876 983874834 /nfs/dbraw/zinc/87/48/34/983874834.db2.gz RCZCNULHHFMYKL-AWEZNQCLSA-N -1 0 331.387 3.700 20 0 EHADRM CCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1ccc(/C=C/C(=O)[O-])o1 ZINC001596395038 983931762 /nfs/dbraw/zinc/93/17/62/983931762.db2.gz RVGFCKQGXRAQAY-CDVVCGDMSA-N -1 0 346.770 3.617 20 0 EHADRM CCNc1nnc(SCc2ccc(C(=O)[O-])c3cccnc23)s1 ZINC001596509150 984268797 /nfs/dbraw/zinc/26/87/97/984268797.db2.gz BLSVHXVDGAYZCF-UHFFFAOYSA-N -1 0 346.437 3.509 20 0 EHADRM O=S(=O)([N-]c1nc2c(s1)CCCC2)c1c(F)cccc1Cl ZINC000153435717 1125489771 /nfs/dbraw/zinc/48/97/71/1125489771.db2.gz XUJFOGLNCTVAMF-UHFFFAOYSA-N -1 0 346.836 3.615 20 0 EHADRM O=S(=O)([N-]c1ccnn1C1CCCCC1)c1cccc(Cl)c1 ZINC000066241891 1015028188 /nfs/dbraw/zinc/02/81/88/1015028188.db2.gz MFDXSTZKGFHNAW-UHFFFAOYSA-N -1 0 339.848 3.843 20 0 EHADRM CCOC(=O)[C@@H](SCc1ccccc1C(=O)[O-])c1ccccc1 ZINC001596544206 984399568 /nfs/dbraw/zinc/39/95/68/984399568.db2.gz OOVKNXRIAHVQET-INIZCTEOSA-N -1 0 330.405 3.922 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccnn2C2CCCCC2)s1 ZINC000066248355 1015030930 /nfs/dbraw/zinc/03/09/30/1015030930.db2.gz UVODRMMIFKLLGO-UHFFFAOYSA-N -1 0 339.486 3.813 20 0 EHADRM C=Cc1ccccc1NC(=O)N[C@@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001588922164 984581862 /nfs/dbraw/zinc/58/18/62/984581862.db2.gz UVFWOLQHARXHPP-WMLDXEAASA-N -1 0 338.407 3.783 20 0 EHADRM C/C(=C\C(=O)N(CCC(=O)[O-])Cc1ccccc1)c1cccs1 ZINC001588932501 984608827 /nfs/dbraw/zinc/60/88/27/984608827.db2.gz FTPOWWJEFZYCRA-WYMLVPIESA-N -1 0 329.421 3.655 20 0 EHADRM C/C(=C\C(=O)N1CCc2cccc(C(=O)[O-])c2C1)c1cccc(F)c1 ZINC001588938985 984626272 /nfs/dbraw/zinc/62/62/72/984626272.db2.gz JHADFGWORJSTRC-JLHYYAGUSA-N -1 0 339.366 3.512 20 0 EHADRM C/C(=C\C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1)c1ccco1 ZINC001588939648 984630740 /nfs/dbraw/zinc/63/07/40/984630740.db2.gz ZKLHWOUGXHPRBX-BMGYJQCNSA-N -1 0 333.771 3.669 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cc(F)ccc1Cl ZINC001599887336 984652265 /nfs/dbraw/zinc/65/22/65/984652265.db2.gz WNAADAKMNUKKEO-LLVKDONJSA-N -1 0 335.762 3.595 20 0 EHADRM C/C(=C\C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)c1ccc(F)cc1 ZINC001588947508 984660414 /nfs/dbraw/zinc/66/04/14/984660414.db2.gz YMRQWFOFVWCEKO-CMDGGOBGSA-N -1 0 346.383 3.900 20 0 EHADRM C/C(=C\C1CCC(C)CC1)C(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001588956664 984707693 /nfs/dbraw/zinc/70/76/93/984707693.db2.gz XEAYPHJLBAJXFY-JYOLLIMASA-N -1 0 347.377 3.625 20 0 EHADRM C[C@H](OC(=O)c1cc(C(=O)[O-])on1)c1ccc(Cl)cc1Cl ZINC001599904260 984902516 /nfs/dbraw/zinc/90/25/16/984902516.db2.gz SEWIBWQMSANIMT-LURJTMIESA-N -1 0 330.123 3.598 20 0 EHADRM C[C@H](OC(=O)C(C)(C)Oc1ccc(F)cc1)c1ccc(C(=O)[O-])cc1 ZINC001599904986 984909956 /nfs/dbraw/zinc/90/99/56/984909956.db2.gz MYLRTGVWCKCHKQ-LBPRGKRZSA-N -1 0 346.354 3.986 20 0 EHADRM C/C(=C\c1c(Cl)cccc1Cl)C(=O)N[C@H](C(=O)[O-])C(C)C ZINC001588995434 984923428 /nfs/dbraw/zinc/92/34/28/984923428.db2.gz JUOOCEHHONMPKV-XOVSCCBYSA-N -1 0 330.211 3.622 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001588995592 984925689 /nfs/dbraw/zinc/92/56/89/984925689.db2.gz NDHPXGMXJQNESY-XWPLZZTOSA-N -1 0 349.430 3.653 20 0 EHADRM C[C@H](OC(=O)c1csc(C(=O)[O-])n1)c1cc(Cl)ccc1F ZINC001599906425 984928610 /nfs/dbraw/zinc/92/86/10/984928610.db2.gz BWFYHOCLVZWEIY-LURJTMIESA-N -1 0 329.736 3.552 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001588995885 984929934 /nfs/dbraw/zinc/92/99/34/984929934.db2.gz VCZKWONQXLRCSS-NTCAYCPXSA-N -1 0 335.403 3.681 20 0 EHADRM C/C(=C/c1c(Cl)cccc1Cl)C(=O)NCC(C)(C)C(=O)[O-] ZINC001588996110 984931057 /nfs/dbraw/zinc/93/10/57/984931057.db2.gz ZSLPFUJTXQZGJS-CLFYSBASSA-N -1 0 330.211 3.624 20 0 EHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001588999108 984936609 /nfs/dbraw/zinc/93/66/09/984936609.db2.gz RZENZOZMFJPHIZ-IHUUNXMQSA-N -1 0 333.815 3.599 20 0 EHADRM CCOC(=O)c1cccc(N(CC)Cc2ccc(C(=O)[O-])s2)c1 ZINC001596729718 984991471 /nfs/dbraw/zinc/99/14/71/984991471.db2.gz USZULZGJHDMFGT-UHFFFAOYSA-N -1 0 333.409 3.650 20 0 EHADRM CC(=O)C(C)(C)CCC(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)F ZINC001589023266 985022787 /nfs/dbraw/zinc/02/27/87/985022787.db2.gz NMMCFWACQFVBBV-AWEZNQCLSA-N -1 0 342.338 3.630 20 0 EHADRM C[C@H]1CN(C(=O)/C=C/c2cc(Cl)cc(Cl)c2)C[C@]1(C)C(=O)[O-] ZINC001599915867 985055314 /nfs/dbraw/zinc/05/53/14/985055314.db2.gz WSODMTXBYQGLQS-KBMSQCTHSA-N -1 0 342.222 3.576 20 0 EHADRM CC(=O)N(c1ccc(NCc2cc(C)c(C(=O)[O-])o2)cc1)[C@@H]1C[C@@H]1C ZINC001589051357 985138431 /nfs/dbraw/zinc/13/84/31/985138431.db2.gz GUWPCDBGCIWJOJ-APPDUMDISA-N -1 0 342.395 3.660 20 0 EHADRM CCO[C@H](C(=O)Nc1cccc(C(=O)[O-])c1Cl)C1CCCC1 ZINC001596766677 985173908 /nfs/dbraw/zinc/17/39/08/985173908.db2.gz DTDRQZRYQKFIBA-AWEZNQCLSA-N -1 0 325.792 3.572 20 0 EHADRM CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(C)c(C(=O)[O-])c2)C1(CC)CC ZINC001596810661 985353375 /nfs/dbraw/zinc/35/33/75/985353375.db2.gz HBZASNLZXBWNDG-IRXDYDNUSA-N -1 0 347.455 3.749 20 0 EHADRM C[Si](C)(C)CCCC(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001599939393 985436123 /nfs/dbraw/zinc/43/61/23/985436123.db2.gz FONOUPNXRZLKDB-UHFFFAOYSA-N -1 0 337.467 3.527 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)N[C@H](C)c2ccccc2Cl)c(C)c1C(=O)[O-] ZINC001599943253 985482677 /nfs/dbraw/zinc/48/26/77/985482677.db2.gz IXFQCZIKIBODIU-PWSUYJOCSA-N -1 0 348.830 3.905 20 0 EHADRM CC(=O)Nc1cc(C(=O)O[C@@H](CC2CCCCC2)C(=O)[O-])ccc1C ZINC001589170757 985525723 /nfs/dbraw/zinc/52/57/23/985525723.db2.gz ZPOLAHFCYWDYQA-KRWDZBQOSA-N -1 0 347.411 3.534 20 0 EHADRM CC(=O)Nc1cc(N[C@@H](C)c2ccccc2OCC(=O)[O-])ccc1C ZINC001589182778 985561572 /nfs/dbraw/zinc/56/15/72/985561572.db2.gz WRURUTLJHREWJX-ZDUSSCGKSA-N -1 0 342.395 3.590 20 0 EHADRM Cc1[nH]c(C(=O)NCc2ccc(Cl)c(Cl)c2)c(C)c1C(=O)[O-] ZINC001599951998 985623890 /nfs/dbraw/zinc/62/38/90/985623890.db2.gz FLZGVTPSSSMPQA-UHFFFAOYSA-N -1 0 341.194 3.567 20 0 EHADRM Cc1[nH]c(C(=O)N[C@@H]2CCC(C)(C)c3ccccc32)c(C)c1C(=O)[O-] ZINC001599952820 985638263 /nfs/dbraw/zinc/63/82/63/985638263.db2.gz NIRSFYQMLMOKNR-OAHLLOKOSA-N -1 0 340.423 3.872 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@H](C)c1ccccc1OC(C)C ZINC001599955752 985686557 /nfs/dbraw/zinc/68/65/57/985686557.db2.gz PHOXTMWVUQIHPG-GFCCVEGCSA-N -1 0 344.411 3.608 20 0 EHADRM CC(=O)Nc1cccc(CSCCc2ccccc2C(=O)[O-])c1 ZINC001589210616 985697841 /nfs/dbraw/zinc/69/78/41/985697841.db2.gz UXOSVXRAPMGQDQ-UHFFFAOYSA-N -1 0 329.421 3.819 20 0 EHADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN(C)[C@H](C)c1ccccc1Cl ZINC001599956973 985705433 /nfs/dbraw/zinc/70/54/33/985705433.db2.gz FENWLAFLLUUASQ-LLVKDONJSA-N -1 0 334.803 3.550 20 0 EHADRM Cc1[nH]c(C(=O)OCc2csc(C3CCCC3)n2)c(C)c1C(=O)[O-] ZINC001599959828 985760225 /nfs/dbraw/zinc/76/02/25/985760225.db2.gz KNCUXJQKJWIGDM-UHFFFAOYSA-N -1 0 348.424 3.801 20 0 EHADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)COc1cc(Cl)ccc1Cl ZINC001599961244 985785700 /nfs/dbraw/zinc/78/57/00/985785700.db2.gz RJTCJVADGQJNMH-UHFFFAOYSA-N -1 0 328.151 3.590 20 0 EHADRM Cc1[nH]c(CN2C[C@@H](c3cccc(Cl)c3)OC[C@H]2C)cc1C(=O)[O-] ZINC001599961392 985788004 /nfs/dbraw/zinc/78/80/04/985788004.db2.gz DXZUEUWTWWXRNM-DIFFPNOSSA-N -1 0 348.830 3.637 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])[nH]c1NC(=O)C(C)=Cc1ccc(Cl)cc1 ZINC001589261825 985924864 /nfs/dbraw/zinc/92/48/64/985924864.db2.gz MSJDTBCKHHBIJH-CLFYSBASSA-N -1 0 346.770 3.611 20 0 EHADRM CC(=O)c1cc(C(=O)Oc2ccc(Cl)cc2C(=O)[O-])ccc1C ZINC001589268233 985952571 /nfs/dbraw/zinc/95/25/71/985952571.db2.gz OSAXZQRJHVOCOA-UHFFFAOYSA-N -1 0 332.739 3.768 20 0 EHADRM CC(=O)c1ccc(C(=O)O[C@H]2CCCc3cc(C(=O)[O-])ccc32)s1 ZINC001589279863 986005942 /nfs/dbraw/zinc/00/59/42/986005942.db2.gz ZJXYWVQHAJPYDN-AWEZNQCLSA-N -1 0 344.388 3.883 20 0 EHADRM Cc1c(Cl)c(C(=O)[O-])nn1Cc1cccc(Br)c1C ZINC001599972777 986036593 /nfs/dbraw/zinc/03/65/93/986036593.db2.gz XALPFEIXBWZJMG-UHFFFAOYSA-N -1 0 343.608 3.662 20 0 EHADRM CC(=O)c1ccc(OCCOc2ccc(C=CC(=O)[O-])cc2)c(C)c1 ZINC001589297253 986038827 /nfs/dbraw/zinc/03/88/27/986038827.db2.gz GHSDRNIYWUJKNX-YHYXMXQVSA-N -1 0 340.375 3.753 20 0 EHADRM CC(=O)c1ccccc1OCc1cc(C(=O)[O-])ccc1Br ZINC001589316326 986112178 /nfs/dbraw/zinc/11/21/78/986112178.db2.gz RITHPWIRAZLFFI-UHFFFAOYSA-N -1 0 349.180 3.929 20 0 EHADRM CCOCc1ccccc1CNC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001596951352 986118104 /nfs/dbraw/zinc/11/81/04/986118104.db2.gz XZQWUCVCBZHWKQ-UHFFFAOYSA-N -1 0 342.395 3.551 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC001599977861 986120491 /nfs/dbraw/zinc/12/04/91/986120491.db2.gz HQJRJFHYCLIESE-CYBMUJFWSA-N -1 0 349.408 3.966 20 0 EHADRM CC(=O)c1nn(C(C)C)cc1OCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001589322970 986140368 /nfs/dbraw/zinc/14/03/68/986140368.db2.gz OTEUIHXRZAIJSH-UHFFFAOYSA-N -1 0 336.775 3.597 20 0 EHADRM CCON(CCOc1ccc(/C=C\C(=O)[O-])cc1)Cc1ccccc1 ZINC001596968215 986181736 /nfs/dbraw/zinc/18/17/36/986181736.db2.gz FTEJBBPVNDFDMW-RAXLEYEMSA-N -1 0 341.407 3.617 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001599983223 986193253 /nfs/dbraw/zinc/19/32/53/986193253.db2.gz FSWYSOPFDGOOLQ-MHWZDGSBSA-N -1 0 347.411 3.578 20 0 EHADRM CCO[C@@H]1CCCC[C@H]1NC(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001596974848 986208710 /nfs/dbraw/zinc/20/87/10/986208710.db2.gz WXVKNOWNEPADQD-VXGBXAGGSA-N -1 0 340.445 3.532 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)CCOC(C)C)ccc2n1C1CC1 ZINC001599985637 986223329 /nfs/dbraw/zinc/22/33/29/986223329.db2.gz HYHLFHDZZYQUMC-UHFFFAOYSA-N -1 0 345.395 3.703 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1[C@H](C)[C@H]1c1ccccc1 ZINC001597008754 986336629 /nfs/dbraw/zinc/33/66/29/986336629.db2.gz DDGFHWMQSSBYNB-OCBCSQNSSA-N -1 0 339.391 3.772 20 0 EHADRM C[C@@H](C(=O)N1CCc2c1cccc2C(=O)[O-])c1cn(C)c2ccccc12 ZINC001589364367 986384118 /nfs/dbraw/zinc/38/41/18/986384118.db2.gz GKXNEXJBHDHPBL-CYBMUJFWSA-N -1 0 348.402 3.569 20 0 EHADRM C[C@@H](C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1c(Cl)cccc1Cl ZINC001589364552 986385329 /nfs/dbraw/zinc/38/53/29/986385329.db2.gz IQUFVSJKILUKFG-HBNTYKKESA-N -1 0 344.238 3.666 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NCCCc1ccsc1 ZINC001597021563 986412095 /nfs/dbraw/zinc/41/20/95/986412095.db2.gz ZUSBKRPIQCBKJG-UHFFFAOYSA-N -1 0 348.424 3.599 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC001597021770 986414431 /nfs/dbraw/zinc/41/44/31/986414431.db2.gz AAUOZIYMYCQDDU-DZGCQCFKSA-N -1 0 346.427 3.874 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@H]1CCCC2(CC2)C1 ZINC001597022454 986420745 /nfs/dbraw/zinc/42/07/45/986420745.db2.gz STWJIOSLKRBQBU-ZDUSSCGKSA-N -1 0 332.400 3.628 20 0 EHADRM C[C@H]([C@H](C)C(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F)C(C)(C)C ZINC001589376436 986437363 /nfs/dbraw/zinc/43/73/63/986437363.db2.gz ZHBMSBGHTOXLDR-RBZYPMLTSA-N -1 0 327.371 3.525 20 0 EHADRM CCOc1cc(C)ccc1CNC(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001597030331 986442977 /nfs/dbraw/zinc/44/29/77/986442977.db2.gz BJCJQWFHXINGDQ-UHFFFAOYSA-N -1 0 342.395 3.722 20 0 EHADRM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)c1ccc2ccccc2c1 ZINC001589381842 986466981 /nfs/dbraw/zinc/46/69/81/986466981.db2.gz TWXZCFXBWCPULV-DYVFJYSZSA-N -1 0 327.424 3.949 20 0 EHADRM CCOc1cc(CNc2ccc(C(=O)[O-])c(C)c2)c(F)cc1OC ZINC001597038122 986482961 /nfs/dbraw/zinc/48/29/61/986482961.db2.gz FDJJVSWTOOUNFN-UHFFFAOYSA-N -1 0 333.359 3.852 20 0 EHADRM C[C@H](C(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1)c1cccc(Cl)c1 ZINC001589386817 986489854 /nfs/dbraw/zinc/48/98/54/986489854.db2.gz CATKLSQHBCTIPY-SGTLLEGYSA-N -1 0 337.847 3.983 20 0 EHADRM CCOc1cc(NC(=O)Nc2ccc(C(=O)[O-])cc2F)ccc1C ZINC001597042794 986495330 /nfs/dbraw/zinc/49/53/30/986495330.db2.gz AQEILXRIJMFBSE-UHFFFAOYSA-N -1 0 332.331 3.875 20 0 EHADRM CCOc1cc(NCc2cc(C(=O)[O-])c3n2CCCC3)ccc1OC ZINC001597043309 986499369 /nfs/dbraw/zinc/49/93/69/986499369.db2.gz SCCNWCIZBJEUSZ-UHFFFAOYSA-N -1 0 344.411 3.542 20 0 EHADRM C[C@@H]1CSC(SCc2cc(C(=O)[O-])ccc2Br)=N1 ZINC001594610795 986602004 /nfs/dbraw/zinc/60/20/04/986602004.db2.gz UTBFAKNIPRREKR-SSDOTTSWSA-N -1 0 346.271 3.872 20 0 EHADRM C[C@@H]1Cc2cc(C(=O)Nc3ccc(C(=O)[O-])c(Cl)c3)ccc2O1 ZINC001594614748 986628667 /nfs/dbraw/zinc/62/86/67/986628667.db2.gz GVHIQJCITQDXRW-SECBINFHSA-N -1 0 331.755 3.614 20 0 EHADRM CCOc1ccc(CCC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC001597095818 986697613 /nfs/dbraw/zinc/69/76/13/986697613.db2.gz PMONJEOPUHTRGJ-UHFFFAOYSA-N -1 0 349.333 3.633 20 0 EHADRM C[C@H](C(=O)Nc1ccc(C(=O)[O-])cn1)c1ccc(C(F)(F)F)cc1 ZINC001589430614 986719564 /nfs/dbraw/zinc/71/95/64/986719564.db2.gz BAHGDSKLEIWTFU-VIFPVBQESA-N -1 0 338.285 3.541 20 0 EHADRM C[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F)C1CCC1 ZINC001589431939 986736548 /nfs/dbraw/zinc/73/65/48/986736548.db2.gz TYBCUHYMVKUFNG-VIFPVBQESA-N -1 0 345.317 3.701 20 0 EHADRM CCOc1ccc(Cl)c(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC001597107098 986752644 /nfs/dbraw/zinc/75/26/44/986752644.db2.gz YPTIZSOHGVYPGD-WDEREUQCSA-N -1 0 325.792 3.568 20 0 EHADRM CCOc1ccc(NC(=O)/C=C\c2ccsc2)c(C(=O)[O-])c1F ZINC001597111459 986765259 /nfs/dbraw/zinc/76/52/59/986765259.db2.gz DNZWNOVSBBFFEF-UTCJRWHESA-N -1 0 335.356 3.636 20 0 EHADRM CCOc1ccc(NC(=S)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC001597124280 986831201 /nfs/dbraw/zinc/83/12/01/986831201.db2.gz ZYVWGKXYSCZZOK-UHFFFAOYSA-N -1 0 330.409 3.901 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)Nc1ccc(C(F)F)nc1)c1ccccc1 ZINC001589458494 986903494 /nfs/dbraw/zinc/90/34/94/986903494.db2.gz ORZHMQYODCSDJN-HZMBPMFUSA-N -1 0 349.337 3.603 20 0 EHADRM CCOc1cccc(/C=C/C(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC001597149722 986921121 /nfs/dbraw/zinc/92/11/21/986921121.db2.gz LAJIMEZSPAKFDJ-PKNBQFBNSA-N -1 0 339.391 3.754 20 0 EHADRM C[C@H]1SCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001594664804 986956826 /nfs/dbraw/zinc/95/68/26/986956826.db2.gz ZYINRUAZTONQIY-YGRLFVJLSA-N -1 0 330.409 3.554 20 0 EHADRM C[C@H]1c2c(F)cccc2CCN1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001594665899 986962256 /nfs/dbraw/zinc/96/22/56/986962256.db2.gz MVKXLCGJQVHYIU-NSHDSACASA-N -1 0 339.370 3.520 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)c1ccc([C@H](C)C(F)(F)F)cc1)C1CCC1 ZINC001589476580 986975856 /nfs/dbraw/zinc/97/58/56/986975856.db2.gz CJJSEPDLUBVKSJ-QWRGUYRKSA-N -1 0 343.345 3.820 20 0 EHADRM C[C@H]1c2cccn2CCN1Cc1cc(Br)ccc1C(=O)[O-] ZINC001594671087 986981730 /nfs/dbraw/zinc/98/17/30/986981730.db2.gz IUWFGTPZKYMXRG-NSHDSACASA-N -1 0 349.228 3.526 20 0 EHADRM C/C=C(/CC)C(=O)O[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001594677077 987011872 /nfs/dbraw/zinc/01/18/72/987011872.db2.gz VKLIAKMVSBMTGB-WVVNNJFASA-N -1 0 330.302 3.601 20 0 EHADRM C/C=C/C[C@H]1CCCN(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)C1 ZINC001594686346 987064388 /nfs/dbraw/zinc/06/43/88/987064388.db2.gz STZGDBHFYGIZNB-IBUXWKBASA-N -1 0 334.391 3.663 20 0 EHADRM CC/C(=C\C(=O)NCc1ccc(C(=O)[O-])s1)c1ccc(C)cc1 ZINC001594691159 987087937 /nfs/dbraw/zinc/08/79/37/987087937.db2.gz POPZQQBZDYDSIW-JLHYYAGUSA-N -1 0 329.421 3.865 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)Cc2coc3cc(F)ccc23)cc1 ZINC001589504108 987112636 /nfs/dbraw/zinc/11/26/36/987112636.db2.gz KKYYMGISADZEKX-NSHDSACASA-N -1 0 341.338 3.941 20 0 EHADRM CCC(=O)N(C)c1ccc(Nc2nc(Cl)c(C(=O)[O-])s2)cc1 ZINC001594695387 987115233 /nfs/dbraw/zinc/11/52/33/987115233.db2.gz JRXYXYOXBRUFNW-UHFFFAOYSA-N -1 0 339.804 3.611 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NC2(c3ccccc3F)CC2)cc1 ZINC001589511774 987142870 /nfs/dbraw/zinc/14/28/70/987142870.db2.gz CTQAIVCPNJYPBP-LBPRGKRZSA-N -1 0 342.370 3.825 20 0 EHADRM CCC(=O)Nc1ccccc1C(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC001594715417 987185784 /nfs/dbraw/zinc/18/57/84/987185784.db2.gz MVEMQZYITOPMAG-NSHDSACASA-N -1 0 345.351 3.553 20 0 EHADRM CCC(=O)c1cc(C(=O)OCc2cc(C(=O)[O-])oc2CC)ccc1F ZINC001594718759 987199583 /nfs/dbraw/zinc/19/95/83/987199583.db2.gz WFPAEJLGEREPLA-UHFFFAOYSA-N -1 0 348.326 3.629 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)Cc2ccc(Cl)c(F)c2)c1 ZINC001589533271 987224544 /nfs/dbraw/zinc/22/45/44/987224544.db2.gz LMNCOABNQTVVJV-JTQLQIEISA-N -1 0 335.762 3.848 20 0 EHADRM CC[C@@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1)c1ccc(F)cc1 ZINC001594728344 987234178 /nfs/dbraw/zinc/23/41/78/987234178.db2.gz DWUYZBLAZPMKJQ-IAGOWNOFSA-N -1 0 347.361 3.791 20 0 EHADRM CC[C@@H](C(=O)N[C@](C)(CC)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001594728532 987234996 /nfs/dbraw/zinc/23/49/96/987234996.db2.gz GNAIDYXDYQLSTG-CZUORRHYSA-N -1 0 345.361 3.959 20 0 EHADRM CC[C@H](C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-])c1ccc(F)cc1 ZINC001594733905 987256228 /nfs/dbraw/zinc/25/62/28/987256228.db2.gz HQTWJFDPVHREAI-KKXDTOCCSA-N -1 0 343.398 3.898 20 0 EHADRM CC[C@@H](C(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1)c1ccc(F)cc1 ZINC001594734211 987259671 /nfs/dbraw/zinc/25/96/71/987259671.db2.gz PSUOHSVPUTWWHU-DNVCBOLYSA-N -1 0 335.419 3.859 20 0 EHADRM CCS[C@@H]1CC[C@H](N(C)C(=O)CC2(CC(=O)[O-])CCCC2)C1 ZINC001597257430 987262181 /nfs/dbraw/zinc/26/21/81/987262181.db2.gz VTRSQNDQDNVMRH-UONOGXRCSA-N -1 0 327.490 3.544 20 0 EHADRM CC[C@@H](C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2)c1ccccc1 ZINC001594734728 987263920 /nfs/dbraw/zinc/26/39/20/987263920.db2.gz ARNQEMZKCKIQNX-GFCCVEGCSA-N -1 0 345.420 3.651 20 0 EHADRM C[C@H](C(=O)OCc1ccc(C(=O)[O-])s1)c1ccc(F)c(F)c1 ZINC001589547416 987269667 /nfs/dbraw/zinc/26/96/67/987269667.db2.gz MSDFVHLAPNIHHC-QMMMGPOBSA-N -1 0 326.320 3.571 20 0 EHADRM C[C@@H](C(=O)OC[C@](C)(C(=O)[O-])c1ccccc1)c1ccccc1F ZINC001589549069 987282923 /nfs/dbraw/zinc/28/29/23/987282923.db2.gz VMGPDBIJXIXLDW-YJYMSZOUSA-N -1 0 330.355 3.515 20 0 EHADRM C[C@@H](C(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1)c1cccc(F)c1 ZINC001589553812 987294264 /nfs/dbraw/zinc/29/42/64/987294264.db2.gz SHQYDSDVZYRCPS-GFCCVEGCSA-N -1 0 330.355 3.897 20 0 EHADRM CCSCc1cccnc1NCc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC001597267431 987302481 /nfs/dbraw/zinc/30/24/81/987302481.db2.gz JDVQUENKGBHCLK-ZDUSSCGKSA-N -1 0 346.452 3.799 20 0 EHADRM CCSCc1ccccc1C(=O)Nc1ccccc1CC(=O)[O-] ZINC001597267741 987305343 /nfs/dbraw/zinc/30/53/43/987305343.db2.gz OGJSLHNSSUOIBJ-UHFFFAOYSA-N -1 0 329.421 3.819 20 0 EHADRM CCSc1ccc(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)cn1 ZINC001597270742 987312262 /nfs/dbraw/zinc/31/22/62/987312262.db2.gz ATZDEKNJWTYFEF-LLVKDONJSA-N -1 0 330.409 3.634 20 0 EHADRM CCSc1ccc(CC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC001597273256 987327992 /nfs/dbraw/zinc/32/79/92/987327992.db2.gz VOQAXVDLRWFLGH-UHFFFAOYSA-N -1 0 329.421 3.986 20 0 EHADRM CC(C)(C(=O)NC[C@H](C(=O)[O-])C1CCCCC1)c1ccc(F)cc1 ZINC001589566809 987330127 /nfs/dbraw/zinc/33/01/27/987330127.db2.gz FZGMXPQNWNYFBM-INIZCTEOSA-N -1 0 335.419 3.501 20 0 EHADRM CCSc1cccc(F)c1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001597277676 987337013 /nfs/dbraw/zinc/33/70/13/987337013.db2.gz XESLBRMAFSCDRY-MNOVXSKESA-N -1 0 325.405 3.767 20 0 EHADRM CC(C)(C(=O)[N-]OCCCC(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC001589574920 987349334 /nfs/dbraw/zinc/34/93/34/987349334.db2.gz NWUFEACJMPQAEW-UHFFFAOYSA-N -1 0 341.407 3.544 20 0 EHADRM CC(C)(C(=O)Nc1ccc(F)c(C(=O)[O-])c1F)c1ccc(F)cc1 ZINC001589577014 987357642 /nfs/dbraw/zinc/35/76/42/987357642.db2.gz ZTVZPMUEXANILK-UHFFFAOYSA-N -1 0 337.297 3.718 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccc(F)cc1 ZINC001597335818 987471874 /nfs/dbraw/zinc/47/18/74/987471874.db2.gz DPHKSAANVNCNRW-INIZCTEOSA-N -1 0 346.358 3.562 20 0 EHADRM CC(C)(C(=O)[O-])N(Cc1ccccc1)C(=O)CCCc1ccsc1 ZINC001589617201 987490677 /nfs/dbraw/zinc/49/06/77/987490677.db2.gz VYRPBHGDINXOLQ-UHFFFAOYSA-N -1 0 345.464 3.963 20 0 EHADRM CCc1c2ccccc2oc1C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001597406120 987679099 /nfs/dbraw/zinc/67/90/99/987679099.db2.gz BLSBEUWVCXPJDI-UHFFFAOYSA-N -1 0 329.396 3.903 20 0 EHADRM CCc1c(NCc2cc(C(=O)[O-])co2)cnn1-c1cccc(C)c1 ZINC001597420156 987731459 /nfs/dbraw/zinc/73/14/59/987731459.db2.gz WWKMEWDKSXVRKV-UHFFFAOYSA-N -1 0 325.368 3.646 20 0 EHADRM CCc1cc(C(=O)N(CC(=O)[O-])C2CC2)sc1-c1ccccc1 ZINC001597427334 987756072 /nfs/dbraw/zinc/75/60/72/987756072.db2.gz XUTXHURMKMAUAY-UHFFFAOYSA-N -1 0 329.421 3.667 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)C(F)(F)c1cccc(OC)c1 ZINC001597450627 987840611 /nfs/dbraw/zinc/84/06/11/987840611.db2.gz ZMCIWUUKAKDWHL-UHFFFAOYSA-N -1 0 349.333 3.686 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@H]1CCCc2occc21 ZINC001597457600 987875773 /nfs/dbraw/zinc/87/57/73/987875773.db2.gz MBSWGBCOZZJKCZ-HNNXBMFYSA-N -1 0 328.368 3.739 20 0 EHADRM CS[C@@H](C)CCC(=O)Nc1c2ccc(C)nc2sc1C(=O)[O-] ZINC001599784580 987900281 /nfs/dbraw/zinc/90/02/81/987900281.db2.gz VWMDOZZVYBJOFG-VIFPVBQESA-N -1 0 338.454 3.773 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cccc(-n2ccc(C)n2)c1 ZINC001597465448 987904756 /nfs/dbraw/zinc/90/47/56/987904756.db2.gz XIKADOBONQEMAM-UHFFFAOYSA-N -1 0 349.390 3.694 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)Nc1cc(CC(C)C)[nH]n1 ZINC001597465881 987909034 /nfs/dbraw/zinc/90/90/34/987909034.db2.gz ZOTGMSWDKNZOAM-UHFFFAOYSA-N -1 0 330.388 3.513 20 0 EHADRM CC(C)(C)[C@H]1CCCN(C(=O)c2ccccc2CCC(=O)[O-])CC1 ZINC001589732437 987962013 /nfs/dbraw/zinc/96/20/13/987962013.db2.gz LQFQORTXWSOLGX-INIZCTEOSA-N -1 0 331.456 3.992 20 0 EHADRM CCc1cc2c(nc(C)nc2N2Cc3ccc(C(=O)[O-])cc3C2)s1 ZINC001597489180 988007686 /nfs/dbraw/zinc/00/76/86/988007686.db2.gz BHELZFHNYJEVAA-UHFFFAOYSA-N -1 0 339.420 3.781 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)N[C@H]1CC=C(C(=O)[O-])C1)c1ccc(F)cc1 ZINC001589745572 988040935 /nfs/dbraw/zinc/04/09/35/988040935.db2.gz PDUIMBXFTCVVOO-HOTGVXAUSA-N -1 0 348.418 3.776 20 0 EHADRM CC(C)(C)C[C@H](Sc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)[O-] ZINC001589761604 988088590 /nfs/dbraw/zinc/08/85/90/988088590.db2.gz DEFORJYBMKSQJU-NSHDSACASA-N -1 0 340.832 3.970 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)c1cc(F)c(Cl)nc1Cl)C(=O)[O-] ZINC001589761775 988091836 /nfs/dbraw/zinc/09/18/36/988091836.db2.gz KVQVEEHAJYGOCT-MRVPVSSYSA-N -1 0 338.162 3.574 20 0 EHADRM CC(C)(C)C[C@@H]1CCN(C(=O)NCC(C)(C)CC(=O)[O-])C1(C)C ZINC001589764395 988101387 /nfs/dbraw/zinc/10/13/87/988101387.db2.gz JEASJBBOAPVUJK-ZDUSSCGKSA-N -1 0 326.481 3.734 20 0 EHADRM CCc1ccc(CN(C)C(=O)Nc2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001597524662 988162919 /nfs/dbraw/zinc/16/29/19/988162919.db2.gz FJSCAQHYMXKFHQ-UHFFFAOYSA-N -1 0 326.396 3.920 20 0 EHADRM CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1ncc(C(=O)[O-])c2ccccc21 ZINC001589784364 988164250 /nfs/dbraw/zinc/16/42/50/988164250.db2.gz RLKVCBBNRPYSBD-SMDDNHRTSA-N -1 0 326.396 3.944 20 0 EHADRM CC(C)(C)Cc1csc(NC(=O)c2cc(F)cc(C(=O)[O-])c2)n1 ZINC001589789194 988175064 /nfs/dbraw/zinc/17/50/64/988175064.db2.gz TZZSUHVSUNWAMA-UHFFFAOYSA-N -1 0 336.388 3.821 20 0 EHADRM CC(C)(C)Cc1ccccc1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001589789198 988175166 /nfs/dbraw/zinc/17/51/66/988175166.db2.gz UOUZOYOMQTYVCV-UHFFFAOYSA-N -1 0 339.435 3.946 20 0 EHADRM CSc1c(F)cccc1C(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001599806186 988259638 /nfs/dbraw/zinc/25/96/38/988259638.db2.gz PHKDHORTIPBBHC-KRWDZBQOSA-N -1 0 339.432 3.701 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC001599806719 988267841 /nfs/dbraw/zinc/26/78/41/988267841.db2.gz ADHHTUNBNRKTGT-UHFFFAOYSA-N -1 0 335.812 3.941 20 0 EHADRM CSc1cc(NC(=O)N2CCC[C@H]2CC(=O)[O-])ccc1Cl ZINC001599808237 988291377 /nfs/dbraw/zinc/29/13/77/988291377.db2.gz AUJVZIFEOKXDER-JTQLQIEISA-N -1 0 328.821 3.533 20 0 EHADRM CSc1ccc(C(=O)N(Cc2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC001599809673 988312032 /nfs/dbraw/zinc/31/20/32/988312032.db2.gz QBSPQVYSWGVDNN-ZDUSSCGKSA-N -1 0 329.421 3.524 20 0 EHADRM CCc1ccc2occ(C(=O)Nc3ccc(OCC(=O)[O-])cc3)c2c1 ZINC001597570353 988342153 /nfs/dbraw/zinc/34/21/53/988342153.db2.gz FCDHNJBGMLCODI-UHFFFAOYSA-N -1 0 339.347 3.711 20 0 EHADRM CCc1ccc2occ(C(=O)N3CCc4ccccc4[C@@H]3C(=O)[O-])c2c1 ZINC001597570391 988343624 /nfs/dbraw/zinc/34/36/24/988343624.db2.gz GVAGEYSNMXVOER-LJQANCHMSA-N -1 0 349.386 3.819 20 0 EHADRM CCc1cccc(CC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])c1 ZINC001597581116 988385838 /nfs/dbraw/zinc/38/58/38/988385838.db2.gz NZHBADLHFBFSNJ-LJQANCHMSA-N -1 0 339.435 3.760 20 0 EHADRM CSc1ccc(Cl)c(NC(=O)NCc2cc(C(=O)[O-])co2)c1 ZINC001599814346 988394384 /nfs/dbraw/zinc/39/43/84/988394384.db2.gz HLWGMTGREPZJMT-UHFFFAOYSA-N -1 0 340.788 3.675 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1ccc(C)c(C(C)=O)c1 ZINC001597591797 988415449 /nfs/dbraw/zinc/41/54/49/988415449.db2.gz JACTXDBBCMIGEJ-UHFFFAOYSA-N -1 0 325.364 3.711 20 0 EHADRM CSc1ccc(NC(=O)[C@@H](C)c2cccc(O)c2)cc1C(=O)[O-] ZINC001599815752 988420339 /nfs/dbraw/zinc/42/03/39/988420339.db2.gz GZFHOGCHSNNKHL-JTQLQIEISA-N -1 0 331.393 3.555 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1ccc(F)c2ccncc12 ZINC001597594319 988432665 /nfs/dbraw/zinc/43/26/65/988432665.db2.gz STELHEPKFNFDOD-UHFFFAOYSA-N -1 0 338.338 3.887 20 0 EHADRM CSc1ccc(NC(=O)N2CC[C@H](c3ccco3)C2)cc1C(=O)[O-] ZINC001599816908 988443186 /nfs/dbraw/zinc/44/31/86/988443186.db2.gz OYQWYCWSTQCQHN-NSHDSACASA-N -1 0 346.408 3.721 20 0 EHADRM CCc1cccc2c(CC(=O)Nc3c(C)csc3C(=O)[O-])c[nH]c21 ZINC001597603060 988459007 /nfs/dbraw/zinc/45/90/07/988459007.db2.gz AGIOGVJBWCEYHT-UHFFFAOYSA-N -1 0 342.420 3.980 20 0 EHADRM CSc1ccc(NC(=O)NC/C=C/c2ccccc2)cc1C(=O)[O-] ZINC001599818184 988464924 /nfs/dbraw/zinc/46/49/24/988464924.db2.gz AJCDXJNIZOARGJ-VMPITWQZSA-N -1 0 342.420 3.942 20 0 EHADRM CSc1ccc(NC(=O)NCC(F)(F)C(C)(C)C)cc1C(=O)[O-] ZINC001599819307 988483888 /nfs/dbraw/zinc/48/38/88/988483888.db2.gz TXQPNJHOQPHJDW-UHFFFAOYSA-N -1 0 346.399 3.910 20 0 EHADRM CSc1ccc(NC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)cc1Cl ZINC001599819642 988489933 /nfs/dbraw/zinc/48/99/33/988489933.db2.gz ZZJZSLWERACVRN-ZJUUUORDSA-N -1 0 342.848 3.827 20 0 EHADRM CSc1ccc([C@H](C)NC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001599820917 988512130 /nfs/dbraw/zinc/51/21/30/988512130.db2.gz HPBQUHSRPBFMPS-NSHDSACASA-N -1 0 330.409 3.989 20 0 EHADRM CSc1cccc(C(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])n1 ZINC001599821670 988525471 /nfs/dbraw/zinc/52/54/71/988525471.db2.gz HNZLDZHYOXEBBR-UHFFFAOYSA-N -1 0 336.800 3.716 20 0 EHADRM CCc1ccccc1OCCC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001597616847 988540073 /nfs/dbraw/zinc/54/00/73/988540073.db2.gz PWUYJWIYTGIFJC-UHFFFAOYSA-N -1 0 341.407 3.674 20 0 EHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC001597621335 988547107 /nfs/dbraw/zinc/54/71/07/988547107.db2.gz KERMEYWTDAEIFH-CEXWTWQISA-N -1 0 349.430 3.958 20 0 EHADRM CSc1cccc(NC(=O)NCCc2cccc(C(=O)[O-])c2)c1C ZINC001599824718 988578216 /nfs/dbraw/zinc/57/82/16/988578216.db2.gz MFUOFLRWFTXLKU-UHFFFAOYSA-N -1 0 344.436 3.779 20 0 EHADRM CSc1ccccc1[C@H](C)NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001599826509 988606329 /nfs/dbraw/zinc/60/63/29/988606329.db2.gz SHQMECNOCPNKNY-LBPRGKRZSA-N -1 0 344.436 3.667 20 0 EHADRM CSc1nc2ccccc2c(C)c1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001599827830 988624160 /nfs/dbraw/zinc/62/41/60/988624160.db2.gz KBUQRNOLFWBTOI-NWDGAFQWSA-N -1 0 344.436 3.705 20 0 EHADRM CCc1[nH]nc(NC(=O)Nc2cccc3cc(C(=O)[O-])sc32)c1C ZINC001597645721 988666996 /nfs/dbraw/zinc/66/69/96/988666996.db2.gz YONJRPZVFRTHPQ-UHFFFAOYSA-N -1 0 344.396 3.837 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)C1(Cc2ccccc2)CC1 ZINC001599831954 988688437 /nfs/dbraw/zinc/68/84/37/988688437.db2.gz XYDLPPHFCDUHMT-INIZCTEOSA-N -1 0 337.419 3.511 20 0 EHADRM CCc1nc(C(C)C)ccc1C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC001597652240 988698207 /nfs/dbraw/zinc/69/82/07/988698207.db2.gz MKOYSQHNAOWMNB-UHFFFAOYSA-N -1 0 338.407 3.622 20 0 EHADRM CCc1nc(C)c(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2Cl)o1 ZINC001597657223 988716111 /nfs/dbraw/zinc/71/61/11/988716111.db2.gz GBHXHGRASIDFFC-UHFFFAOYSA-N -1 0 343.166 3.803 20 0 EHADRM C[C@@H](Cc1ccccc1)C(=O)N(Cc1ccccc1)C(C)(C)C(=O)[O-] ZINC001599837217 988762174 /nfs/dbraw/zinc/76/21/74/988762174.db2.gz DAXJZMYJKDSNIP-INIZCTEOSA-N -1 0 339.435 3.757 20 0 EHADRM CCc1nc(NC(=O)/C=C(\C)c2ccccc2C)sc1C(=O)[O-] ZINC001597678077 988796483 /nfs/dbraw/zinc/79/64/83/988796483.db2.gz KNYIWKZHWRCMJN-PKNBQFBNSA-N -1 0 330.409 3.754 20 0 EHADRM CCc1nc(NC(=O)C[C@]23CCCC[C@H]2C3(F)F)sc1C(=O)[O-] ZINC001597678694 988800830 /nfs/dbraw/zinc/80/08/30/988800830.db2.gz UULHCATYGNHFCJ-YMTOWFKASA-N -1 0 344.383 3.558 20 0 EHADRM CCc1nc(NC(=O)Cc2c(C)cc(C)cc2C)sc1C(=O)[O-] ZINC001597680670 988810206 /nfs/dbraw/zinc/81/02/06/988810206.db2.gz SJWQMMSKSIPVQK-UHFFFAOYSA-N -1 0 332.425 3.510 20 0 EHADRM C[C@@H](NCc1cc(C(=O)[O-])co1)c1ccc(F)cc1OC(F)F ZINC001599841366 988840610 /nfs/dbraw/zinc/84/06/10/988840610.db2.gz BLJYBDCMLNAOLP-MRVPVSSYSA-N -1 0 329.274 3.569 20 0 EHADRM O=S(=O)([N-]c1cnoc1-c1ccccc1)c1ccc(Cl)s1 ZINC000179525937 1015428672 /nfs/dbraw/zinc/42/86/72/1015428672.db2.gz DLLIKHCBQMXVKU-UHFFFAOYSA-N -1 0 340.813 3.857 20 0 EHADRM CCc1nc2ccc(NC(=O)N[C@@H]3CCC[C@H]3CC(=O)[O-])cc2s1 ZINC001597691642 988887703 /nfs/dbraw/zinc/88/77/03/988887703.db2.gz RTLJNMDMFXYWSR-CMPLNLGQSA-N -1 0 347.440 3.624 20 0 EHADRM O=S(=O)([N-]c1cnoc1-c1ccccc1)c1ccccc1Cl ZINC000179525746 1015429834 /nfs/dbraw/zinc/42/98/34/1015429834.db2.gz UIZYLAAZZAUFRR-UHFFFAOYSA-N -1 0 334.784 3.796 20 0 EHADRM C[C@@H](O)c1ccc(OCCOc2ccc(C(=O)[O-])cc2Cl)cc1 ZINC001599846470 988941367 /nfs/dbraw/zinc/94/13/67/988941367.db2.gz NDYIKGQPTKUXQH-LLVKDONJSA-N -1 0 336.771 3.549 20 0 EHADRM CCc1ncsc1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001597710363 988964848 /nfs/dbraw/zinc/96/48/48/988964848.db2.gz GDWSGDOHINZHLI-UHFFFAOYSA-N -1 0 332.406 3.871 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])ccc2Cl)[C@H](C(F)(F)F)C1 ZINC001599848449 988973798 /nfs/dbraw/zinc/97/37/98/988973798.db2.gz LJXWXMNYULUAHL-PELKAZGASA-N -1 0 349.736 3.841 20 0 EHADRM C[C@@H]1CN(C(=O)C2(Sc3ccccc3)CCCC2)C[C@H]1CC(=O)[O-] ZINC001599852683 989038031 /nfs/dbraw/zinc/03/80/31/989038031.db2.gz QYEOWIZIHDTBMZ-HUUCEWRRSA-N -1 0 347.480 3.661 20 0 EHADRM CCc1nnc(S[C@H](C(=O)[O-])c2c(F)cccc2Cl)s1 ZINC001597736068 989084682 /nfs/dbraw/zinc/08/46/82/989084682.db2.gz QRMUUMIXOLPPRD-JTQLQIEISA-N -1 0 332.809 3.811 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cc(Cl)cc(Cl)c2F)C[C@H]1CC(=O)[O-] ZINC001599859817 989149926 /nfs/dbraw/zinc/14/99/26/989149926.db2.gz XEOXAZFDXCCMFR-HTQZYQBOSA-N -1 0 349.189 3.707 20 0 EHADRM C[C@H](O)CN(C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-])C1CC1 ZINC000655374200 1015453995 /nfs/dbraw/zinc/45/39/95/1015453995.db2.gz NODVRDQYSNUPFY-LBPRGKRZSA-N -1 0 345.826 3.698 20 0 EHADRM CCc1oc(CN2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)cc1C(=O)[O-] ZINC001597795480 989346891 /nfs/dbraw/zinc/34/68/91/989346891.db2.gz BUKWNIXHQUFSKM-SGTLLEGYSA-N -1 0 347.386 3.641 20 0 EHADRM CCc1oc(CNc2cc(OC)c(Cl)c(OC)c2)cc1C(=O)[O-] ZINC001597804509 989406592 /nfs/dbraw/zinc/40/65/92/989406592.db2.gz FZDOUWOLJYUPHF-UHFFFAOYSA-N -1 0 339.775 3.823 20 0 EHADRM CCc1sc(C(=O)N2c3cccc(C)c3C[C@@H]2C(=O)[O-])cc1C ZINC001597818090 989451885 /nfs/dbraw/zinc/45/18/85/989451885.db2.gz KRWYCXVWBGBOJY-CQSZACIVSA-N -1 0 329.421 3.583 20 0 EHADRM CCn1c(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc2ccccc21 ZINC001597839429 989529820 /nfs/dbraw/zinc/52/98/20/989529820.db2.gz APHPPGQGIZJSOJ-UHFFFAOYSA-N -1 0 344.317 3.890 20 0 EHADRM CCn1cc(Cl)cc1C(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001597895639 989759090 /nfs/dbraw/zinc/75/90/90/989759090.db2.gz RQCQWJPHXYHDTP-UHFFFAOYSA-N -1 0 326.805 3.790 20 0 EHADRM CC(C)(C)OCCCC(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-] ZINC001590382636 989900781 /nfs/dbraw/zinc/90/07/81/989900781.db2.gz RBAPJYGIXOHGQW-UHFFFAOYSA-N -1 0 331.771 3.711 20 0 EHADRM CC(C)(C)OCc1ccccc1NC(=O)NCC1(C(=O)[O-])CCCC1 ZINC001590399096 989933383 /nfs/dbraw/zinc/93/33/83/989933383.db2.gz URMLHYNTKJAPKR-UHFFFAOYSA-N -1 0 348.443 3.768 20 0 EHADRM CC(C)(C)SCCCC(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC001590429465 989982365 /nfs/dbraw/zinc/98/23/65/989982365.db2.gz KHWIHYVGGYQIRA-HNNXBMFYSA-N -1 0 337.485 3.501 20 0 EHADRM CC(C)(C)c1ccc(Br)cc1NC(=O)CCCC(=O)[O-] ZINC001590472469 990044490 /nfs/dbraw/zinc/04/44/90/990044490.db2.gz QQMHZGSFMTYMNE-UHFFFAOYSA-N -1 0 342.233 3.940 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)s1 ZINC001590475348 990049214 /nfs/dbraw/zinc/04/92/14/990049214.db2.gz KNVAVYXMSZYZQS-CQSZACIVSA-N -1 0 335.400 3.740 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])nc1 ZINC001590475781 990051027 /nfs/dbraw/zinc/05/10/27/990051027.db2.gz WAGMIJISODJUSG-INIZCTEOSA-N -1 0 332.444 3.533 20 0 EHADRM CC(C)(C)c1ccc(/C=C/C(=O)N2C3CCC2(C(=O)[O-])CC3)cc1 ZINC001590479915 990058296 /nfs/dbraw/zinc/05/82/96/990058296.db2.gz MFQFSNKEPCMZLM-RMKNXTFCSA-N -1 0 327.424 3.606 20 0 EHADRM CC(C)(C)c1ccc(C(F)(F)C(=O)Nc2ccc(C(=O)[O-])cn2)cc1 ZINC001590480501 990065524 /nfs/dbraw/zinc/06/55/24/990065524.db2.gz RUGMNQZHRUXSMZ-UHFFFAOYSA-N -1 0 348.349 3.808 20 0 EHADRM CC(C)(C)c1ccc(CCC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)cc1 ZINC001590484929 990080673 /nfs/dbraw/zinc/08/06/73/990080673.db2.gz KLUJCHLGCPKBFJ-AHCXZYCDSA-N -1 0 343.467 3.532 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)cc1 ZINC001590493134 990094606 /nfs/dbraw/zinc/09/46/06/990094606.db2.gz KJKCXBQARVXZRF-BHTHQVBYSA-N -1 0 330.428 3.605 20 0 EHADRM CC(C)(C)c1ccc(OCC(=O)O[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC001590493510 990096322 /nfs/dbraw/zinc/09/63/22/990096322.db2.gz MQYLLBJOGZTRBF-GOSISDBHSA-N -1 0 342.391 3.732 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCCN2C(=O)c1ccc(C(=O)[O-])o1 ZINC001590501088 990117674 /nfs/dbraw/zinc/11/76/74/990117674.db2.gz SOQQCVZPONUBKW-UHFFFAOYSA-N -1 0 327.380 3.868 20 0 EHADRM CC(C)(C)c1coc(C[NH2+]C[C@@H]2CCCc3ccc(C(=O)[O-])cc32)n1 ZINC001590527065 990139590 /nfs/dbraw/zinc/13/95/90/990139590.db2.gz PZJPRNKIHWEWLJ-HNNXBMFYSA-N -1 0 342.439 3.880 20 0 EHADRM CN(C(=O)/C=C\c1ccsc1C(F)(F)F)C1(C(=O)[O-])CCCC1 ZINC001598007539 990165729 /nfs/dbraw/zinc/16/57/29/990165729.db2.gz WZIWDTCXHGHLDC-PLNGDYQASA-N -1 0 347.358 3.636 20 0 EHADRM CC(C)(C)c1[nH]cnc1C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001590545758 990184510 /nfs/dbraw/zinc/18/45/10/990184510.db2.gz MQWVXLIDTPOUKN-UHFFFAOYSA-N -1 0 337.379 3.811 20 0 EHADRM CN(C(=O)CCSCc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC001598018068 990197961 /nfs/dbraw/zinc/19/79/61/990197961.db2.gz VYZVROVZMFVTPL-UHFFFAOYSA-N -1 0 335.450 3.733 20 0 EHADRM CC(C)(C)c1ncsc1C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC001590573277 990211643 /nfs/dbraw/zinc/21/16/43/990211643.db2.gz PNNYTFYLNAEVQM-LBPRGKRZSA-N -1 0 338.473 3.594 20 0 EHADRM CC(C)(C)n1cc(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)cn1 ZINC001590593493 990246357 /nfs/dbraw/zinc/24/63/57/990246357.db2.gz NQJVBUDMVBHTKX-UHFFFAOYSA-N -1 0 337.379 3.742 20 0 EHADRM CC(F)(F)CC(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000430266704 1015552080 /nfs/dbraw/zinc/55/20/80/1015552080.db2.gz YPXAVGFWYVEOJP-UHFFFAOYSA-N -1 0 328.540 3.792 20 0 EHADRM CN(C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F)C1CCCC1 ZINC001598049175 990292989 /nfs/dbraw/zinc/29/29/89/990292989.db2.gz IMBBCSFWIGNQPZ-ZDUSSCGKSA-N -1 0 344.333 3.572 20 0 EHADRM CN(C(=O)Nc1cc(C(=O)[O-])n(C)c1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001598056710 990318331 /nfs/dbraw/zinc/31/83/31/990318331.db2.gz STMRLMYETXVTBH-JKSUJKDBSA-N -1 0 341.411 3.523 20 0 EHADRM CC(C)(CC(F)F)C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001590648743 990333867 /nfs/dbraw/zinc/33/38/67/990333867.db2.gz DPOLFDKOGXEZBW-CYBMUJFWSA-N -1 0 339.382 3.602 20 0 EHADRM CN(C(=O)Nc1cccc(OCC(=O)[O-])c1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001598061858 990335706 /nfs/dbraw/zinc/33/57/06/990335706.db2.gz OMGWXECSMMJALW-JKSUJKDBSA-N -1 0 348.443 3.829 20 0 EHADRM CN(C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1)[C@H]1CCC(C)(C)C1 ZINC001598064316 990347360 /nfs/dbraw/zinc/34/73/60/990347360.db2.gz ZEMKHAHCQCKYMO-JTQLQIEISA-N -1 0 339.461 3.548 20 0 EHADRM CC(C)(CCCc1ccccc1)C(=O)OCc1ccc(C(=O)[O-])cn1 ZINC001590664773 990363538 /nfs/dbraw/zinc/36/35/38/990363538.db2.gz MKTRNHUZMBDKLD-UHFFFAOYSA-N -1 0 341.407 3.872 20 0 EHADRM CC(C)(CCCc1ccccc1)CNC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001590664869 990364984 /nfs/dbraw/zinc/36/49/84/990364984.db2.gz SEEFJMKVHNOQDA-FQEVSTJZSA-N -1 0 346.471 3.542 20 0 EHADRM CN(C(=O)c1cc(-c2ccccc2)ccn1)C1(C(=O)[O-])CCCCC1 ZINC001598073893 990381075 /nfs/dbraw/zinc/38/10/75/990381075.db2.gz ZQKXPQLSXFJHKE-UHFFFAOYSA-N -1 0 338.407 3.608 20 0 EHADRM CN(C(=O)c1cc(Oc2ccccc2)ccc1O)C(C)(C)CC(=O)[O-] ZINC001598078569 990387139 /nfs/dbraw/zinc/38/71/39/990387139.db2.gz DKVBRQIKIMCBEZ-UHFFFAOYSA-N -1 0 343.379 3.510 20 0 EHADRM CC(C)(CCNC(=O)Nc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC001590679545 990392042 /nfs/dbraw/zinc/39/20/42/990392042.db2.gz YWXALLMBOVXYBQ-UHFFFAOYSA-N -1 0 332.425 3.936 20 0 EHADRM CC(C)(CNC(=O)N1CC[C@](C)(CCc2ccccc2)C1)CC(=O)[O-] ZINC001590716015 990473105 /nfs/dbraw/zinc/47/31/05/990473105.db2.gz ISEIMPNQBNMIGO-FQEVSTJZSA-N -1 0 346.471 3.542 20 0 EHADRM CC(C)(CNC(=O)NC(c1ccccc1)c1ccccc1)CC(=O)[O-] ZINC001590723764 990506278 /nfs/dbraw/zinc/50/62/78/990506278.db2.gz DHJJKACYPVJNHN-UHFFFAOYSA-N -1 0 340.423 3.576 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(C(=O)[O-])c(F)c1)CC(F)(F)F ZINC001590734452 990529924 /nfs/dbraw/zinc/52/99/24/990529924.db2.gz VQPURHNNJNPSFK-UHFFFAOYSA-N -1 0 336.285 3.624 20 0 EHADRM CC(C)(Cc1ccccc1)c1noc([C@H]2CC[C@H](C(=O)[O-])CC2)n1 ZINC001590826726 990668962 /nfs/dbraw/zinc/66/89/62/990668962.db2.gz GIMIFGRFTMNMIY-SHTZXODSSA-N -1 0 328.412 3.948 20 0 EHADRM CC(C)(NC(=O)Nc1cccc(C(=O)[O-])n1)c1ccc2ccccc2c1 ZINC001590855948 990743609 /nfs/dbraw/zinc/74/36/09/990743609.db2.gz RICXJKUMPFRYFT-UHFFFAOYSA-N -1 0 349.390 3.990 20 0 EHADRM CC(C)(NC(=O)c1cc(C(=O)[O-])co1)c1cccc(C(F)(F)F)c1 ZINC001590858253 990744872 /nfs/dbraw/zinc/74/48/72/990744872.db2.gz BMAHZFPKWLFGFF-UHFFFAOYSA-N -1 0 341.285 3.662 20 0 EHADRM CC(C)=CCC[C@@H](C)NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001590922058 990917137 /nfs/dbraw/zinc/91/71/37/990917137.db2.gz RVZCLAHUJSFSRY-SNVBAGLBSA-N -1 0 326.343 3.919 20 0 EHADRM CC(C)C(=O)c1ccc([C@@H](C)C(=O)Oc2ccc(C(=O)[O-])cc2)cc1 ZINC001590949428 991007416 /nfs/dbraw/zinc/00/74/16/991007416.db2.gz QRWKENHZITZFHT-CYBMUJFWSA-N -1 0 340.375 3.933 20 0 EHADRM COc1cccc2c1[C@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1C)CC2 ZINC001599689471 991044062 /nfs/dbraw/zinc/04/40/62/991044062.db2.gz HOYBHZAIUUPLNP-GFCCVEGCSA-N -1 0 343.354 3.509 20 0 EHADRM COc1cccc2c1CC[C@@H](Nc1cccc([C@@H](C)C(=O)[O-])c1)C2 ZINC001599690099 991054963 /nfs/dbraw/zinc/05/49/63/991054963.db2.gz SYZAYQHTDSBULS-CXAGYDPISA-N -1 0 325.408 3.853 20 0 EHADRM COc1cccc2c1CCCCN2C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001599691036 991068943 /nfs/dbraw/zinc/06/89/43/991068943.db2.gz XVQYIXGUFXUSKE-UHFFFAOYSA-N -1 0 345.439 3.790 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)NC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001590967670 991083840 /nfs/dbraw/zinc/08/38/40/991083840.db2.gz DCSPNWCRSIXYPC-SQUSKLHYSA-N -1 0 341.407 3.765 20 0 EHADRM COc1cccc2cc(CN(CC(=O)[O-])Cc3ccccc3)oc21 ZINC001599693608 991111534 /nfs/dbraw/zinc/11/15/34/991111534.db2.gz XROMYBROLMKIGX-UHFFFAOYSA-N -1 0 325.364 3.528 20 0 EHADRM CC(C)[C@H](C)N(Cc1noc(CCCC(=O)[O-])n1)c1ccccc1 ZINC001590974734 991114794 /nfs/dbraw/zinc/11/47/94/991114794.db2.gz XIDPOOCLPWQENO-AWEZNQCLSA-N -1 0 331.416 3.528 20 0 EHADRM CC(C)[C@H](CCc1ccccc1)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001590980794 991134141 /nfs/dbraw/zinc/13/41/41/991134141.db2.gz KDJCQHQDADBAEI-ROUUACIJSA-N -1 0 331.456 3.509 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001599697369 991168777 /nfs/dbraw/zinc/16/87/77/991168777.db2.gz DNIAJSOKRZVZLO-VLIAUNLRSA-N -1 0 347.455 3.729 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)Nc1c(C)ccc(C(=O)[O-])c1O ZINC001599699201 991193616 /nfs/dbraw/zinc/19/36/16/991193616.db2.gz WNZOPLLSNHEGHR-GFCCVEGCSA-N -1 0 343.379 3.540 20 0 EHADRM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001590993950 991216487 /nfs/dbraw/zinc/21/64/87/991216487.db2.gz UZKRPOWALPNSSW-IWAYRVGRSA-N -1 0 345.370 3.514 20 0 EHADRM COc1ccccc1C1(c2noc([C@H]3CCC[C@H](C(=O)[O-])C3)n2)CC1 ZINC001599704234 991268530 /nfs/dbraw/zinc/26/85/30/991268530.db2.gz MYVXCAWFNFCTPG-STQMWFEESA-N -1 0 342.395 3.517 20 0 EHADRM CC(C)C(NC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)C(C)C ZINC001591014331 991290277 /nfs/dbraw/zinc/29/02/77/991290277.db2.gz GYFMBVJGERQCJV-UHFFFAOYSA-N -1 0 330.787 3.979 20 0 EHADRM CC(C)[C@H](NCc1nc2cc(C(=O)[O-])ccc2[nH]1)c1ccccc1F ZINC001591033881 991350249 /nfs/dbraw/zinc/35/02/49/991350249.db2.gz WQRSYJLDMBMWMO-SFHVURJKSA-N -1 0 341.386 3.887 20 0 EHADRM CN(C)c1cccc2sc(C(=O)Nc3ccc(C(=O)[O-])cc3)cc21 ZINC001598342561 991414193 /nfs/dbraw/zinc/41/41/93/991414193.db2.gz PSPHRJJJGMHFIO-UHFFFAOYSA-N -1 0 340.404 3.918 20 0 EHADRM CC(C)[C@@H](OC(=O)[C@H]1C[C@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001591046581 991433923 /nfs/dbraw/zinc/43/39/23/991433923.db2.gz ALBUPJDXPMZASY-FRRDWIJNSA-N -1 0 330.302 3.666 20 0 EHADRM CC(C)[C@H](SCc1ccccc1)C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001591052763 991461533 /nfs/dbraw/zinc/46/15/33/991461533.db2.gz WAUPVKHVZPMMSI-KYJSFNMBSA-N -1 0 349.496 3.514 20 0 EHADRM CC(C)[C@]1(C)C[C@H]1C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001591057762 991468619 /nfs/dbraw/zinc/46/86/19/991468619.db2.gz IUTMIOLPGZXFSO-QKLQHJQFSA-N -1 0 325.408 3.764 20 0 EHADRM CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001591057763 991468690 /nfs/dbraw/zinc/46/86/90/991468690.db2.gz IUTMIOLPGZXFSO-UWVAXJGDSA-N -1 0 325.408 3.764 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CC(=O)Oc2cc(Cl)ccc2C(=O)[O-])CCO1 ZINC001591072039 991533133 /nfs/dbraw/zinc/53/31/33/991533133.db2.gz JODAYBBUUDSNTF-FZMZJTMJSA-N -1 0 340.803 3.785 20 0 EHADRM CC(C)C1CCC(CN2C[C@H](C(=O)[O-])Oc3cc(F)ccc32)CC1 ZINC001591080948 991588969 /nfs/dbraw/zinc/58/89/69/991588969.db2.gz WDGGHEHMKPFEJT-WTNGLUPJSA-N -1 0 335.419 3.940 20 0 EHADRM CC(C)C1CCN(C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)CC1 ZINC001591092814 991649890 /nfs/dbraw/zinc/64/98/90/991649890.db2.gz ZDOGKUBIGDETFY-UHFFFAOYSA-N -1 0 329.400 3.766 20 0 EHADRM CC(C)[C@H]1N(C(=O)Nc2ccc(C(=O)[O-])nc2)CC12CCCCCC2 ZINC001591099596 991712756 /nfs/dbraw/zinc/71/27/56/991712756.db2.gz NNBNJKMPDSICFU-MRXNPFEDSA-N -1 0 345.443 3.993 20 0 EHADRM CC(C)CC(=O)Nc1ccc(N[C@@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC001591110774 991761360 /nfs/dbraw/zinc/76/13/60/991761360.db2.gz AVVOVCCHQYNYLN-NSHDSACASA-N -1 0 347.440 3.999 20 0 EHADRM CC(C)CC(C)(C)C(=O)N1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001591124407 991815358 /nfs/dbraw/zinc/81/53/58/991815358.db2.gz PSYUJESYTMCHQB-GFCCVEGCSA-N -1 0 338.473 3.620 20 0 EHADRM COc1nsc(CN2CC3(CCC3)[C@H]2c2ccccc2)c1C(=O)[O-] ZINC001599740977 991855482 /nfs/dbraw/zinc/85/54/82/991855482.db2.gz PBGJAQJEVXSITF-OAHLLOKOSA-N -1 0 344.436 3.577 20 0 EHADRM COc1nsc(CNc2cccc3c2OC(C)(C)C=C3)c1C(=O)[O-] ZINC001599741371 991862769 /nfs/dbraw/zinc/86/27/69/991862769.db2.gz GQPLFYVYSIDMLY-UHFFFAOYSA-N -1 0 346.408 3.646 20 0 EHADRM CC(C)C[C@@H](NC(=O)NC[C@H](CC(=O)[O-])C1CC1)c1ccccc1 ZINC001591178867 991978403 /nfs/dbraw/zinc/97/84/03/991978403.db2.gz WJBLRRMGTDPHKU-DLBZAZTESA-N -1 0 332.444 3.574 20 0 EHADRM CC(C)C[C@H](OC(=O)c1sc2ncccc2c1Cl)C(=O)[O-] ZINC001591191117 992000298 /nfs/dbraw/zinc/00/02/98/992000298.db2.gz PDOIZHYEAQCQFW-VIFPVBQESA-N -1 0 327.789 3.606 20 0 EHADRM CC(C)CC1(CNC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])CC1 ZINC001591196651 992013202 /nfs/dbraw/zinc/01/32/02/992013202.db2.gz HRVHJTLNNUEICE-MRXNPFEDSA-N -1 0 346.471 3.964 20 0 EHADRM CC(C)CC1(NC(=O)Nc2cc(C(=O)[O-])cc3cccnc32)CC1 ZINC001591197242 992016449 /nfs/dbraw/zinc/01/64/49/992016449.db2.gz FKIPYTTZVOTJFX-UHFFFAOYSA-N -1 0 327.384 3.633 20 0 EHADRM CN(CCC(C)(C)C)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC001598472661 992050507 /nfs/dbraw/zinc/05/05/07/992050507.db2.gz WULLXFPKFBXRHY-UHFFFAOYSA-N -1 0 342.823 3.703 20 0 EHADRM CC(C)CCCCC(=O)N1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001591229014 992107666 /nfs/dbraw/zinc/10/76/66/992107666.db2.gz KVEJKMLJLQWCJO-CYBMUJFWSA-N -1 0 338.473 3.764 20 0 EHADRM CC(C)CCOc1ccc(C(=O)N2CCCCC[C@@H]2C(=O)[O-])cc1 ZINC001591259368 992161964 /nfs/dbraw/zinc/16/19/64/992161964.db2.gz HYVBELNHAZLEEX-QGZVFWFLSA-N -1 0 333.428 3.581 20 0 EHADRM CC(C)CN(C(=O)COc1ccccc1C(C)(C)C)C(C)(C)C(=O)[O-] ZINC001591280733 992210131 /nfs/dbraw/zinc/21/01/31/992210131.db2.gz NMHJWIBHSMMDPY-UHFFFAOYSA-N -1 0 349.471 3.711 20 0 EHADRM CC(C)CN(C(=O)[C@@H](C)Oc1cccc(C(C)C)c1)C(C)(C)C(=O)[O-] ZINC001591281137 992213062 /nfs/dbraw/zinc/21/30/62/992213062.db2.gz IBKXELBLWCMTDK-OAHLLOKOSA-N -1 0 349.471 3.925 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)CCCOc1cccc2ccccc21 ZINC001591291041 992241426 /nfs/dbraw/zinc/24/14/26/992241426.db2.gz PVODKMBZVANQRY-UHFFFAOYSA-N -1 0 343.423 3.568 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CCc1ccc([C@H]2C[C@H]2C)o1 ZINC001591308830 992261979 /nfs/dbraw/zinc/26/19/79/992261979.db2.gz ASRWSFXZJVASFW-ZBFHGGJFSA-N -1 0 349.471 3.931 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001591310420 992272032 /nfs/dbraw/zinc/27/20/32/992272032.db2.gz YXSBQTQFEUZQMT-SJORKVTESA-N -1 0 349.446 3.915 20 0 EHADRM CC(C)CN(CC(F)(F)F)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001591320629 992287297 /nfs/dbraw/zinc/28/72/97/992287297.db2.gz SQWXJGJWQMJENR-UHFFFAOYSA-N -1 0 337.725 3.699 20 0 EHADRM CS[C@@H](C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1)c1ccccc1 ZINC001599780299 992355957 /nfs/dbraw/zinc/35/59/57/992355957.db2.gz HPLBKNRCBUSXMV-MLGOLLRUSA-N -1 0 329.421 3.918 20 0 EHADRM CN(CCOC(C)(C)C)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001598496870 992378205 /nfs/dbraw/zinc/37/82/05/992378205.db2.gz MQCPQSUVJKVABQ-UHFFFAOYSA-N -1 0 344.411 3.817 20 0 EHADRM CC(C)Cc1ccc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC001591484315 992610231 /nfs/dbraw/zinc/61/02/31/992610231.db2.gz NWKGPNKDGZHWHM-MOPGFXCFSA-N -1 0 337.419 3.928 20 0 EHADRM CC(C)Cc1ccccc1C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001591488246 992615698 /nfs/dbraw/zinc/61/56/98/992615698.db2.gz CSTJDSCEHSAELV-NSHDSACASA-N -1 0 332.425 3.531 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)Nc2ncc(C(=O)[O-])s2)c1 ZINC001591488890 992617955 /nfs/dbraw/zinc/61/79/55/992617955.db2.gz JNUOZPSSYARLHC-LLVKDONJSA-N -1 0 332.425 3.782 20 0 EHADRM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001598516119 992619287 /nfs/dbraw/zinc/61/92/87/992619287.db2.gz DIQXEHYAUHMFDS-WBVHZDCISA-N -1 0 346.471 3.769 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)N2CCCC[C@@H]2CC(=O)[O-])c1 ZINC001591489328 992619770 /nfs/dbraw/zinc/61/97/70/992619770.db2.gz QGNKRQAWWPNVMM-CRAIPNDOSA-N -1 0 331.456 3.844 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)N(C)c2ncc(C(=O)[O-])s2)c1 ZINC001591489855 992622465 /nfs/dbraw/zinc/62/24/65/992622465.db2.gz ZKHHPULICNQFJH-LBPRGKRZSA-N -1 0 346.452 3.806 20 0 EHADRM CC(C)Cc1csc2[nH]c(Cc3ccc(C(=O)[O-])cc3)nc(=O)c12 ZINC001591491109 992627862 /nfs/dbraw/zinc/62/78/62/992627862.db2.gz ZQQKASGFGSWRJS-UHFFFAOYSA-N -1 0 342.420 3.884 20 0 EHADRM CN(Cc1ccc(F)cn1)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598519207 992658462 /nfs/dbraw/zinc/65/84/62/992658462.db2.gz KVMIXYJIHRXLLZ-CQSZACIVSA-N -1 0 343.185 3.785 20 0 EHADRM CC(C)Cn1ccc(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)n1 ZINC001591523961 992699482 /nfs/dbraw/zinc/69/94/82/992699482.db2.gz XCSZWHFUMXPRCW-UHFFFAOYSA-N -1 0 337.379 3.643 20 0 EHADRM CC(C)N(C)c1ccc(NC(=O)c2ccc(/C=C/C(=O)[O-])o2)cc1F ZINC001591560673 992756946 /nfs/dbraw/zinc/75/69/46/992756946.db2.gz BQFWJXUXJDEJDO-RMKNXTFCSA-N -1 0 346.358 3.613 20 0 EHADRM CN(Cc1nc2ccccc2o1)[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001598537688 992860793 /nfs/dbraw/zinc/86/07/93/992860793.db2.gz JDSQKJAESIAOKE-INIZCTEOSA-N -1 0 330.771 3.739 20 0 EHADRM CC(C)N1CCC[C@@H]1C(=O)Nc1cc(C(=O)[O-])cc(Cl)c1Cl ZINC001591629726 992924269 /nfs/dbraw/zinc/92/42/69/992924269.db2.gz RLFOWOBRZNPTPY-GFCCVEGCSA-N -1 0 345.226 3.503 20 0 EHADRM O=C([O-])CCN(C(=O)CC(c1ccccc1)c1ccccc1)C1CC1 ZINC000238031279 1015776480 /nfs/dbraw/zinc/77/64/80/1015776480.db2.gz HLDDDPZFHGQCKI-UHFFFAOYSA-N -1 0 337.419 3.674 20 0 EHADRM CCOC(=O)c1cccc(N(CC)C(=O)c2ccc(Cl)cc2[O-])c1 ZINC000536684915 1032126973 /nfs/dbraw/zinc/12/69/73/1032126973.db2.gz IWQKCRBQEWMWNO-UHFFFAOYSA-N -1 0 347.798 3.889 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@@H]1CC(C)(C)C)c1ncc(C(=O)[O-])s1 ZINC001593061807 993571147 /nfs/dbraw/zinc/57/11/47/993571147.db2.gz DLZHPKDZKQCSBG-GHMZBOCLSA-N -1 0 339.461 3.513 20 0 EHADRM COc1ccc(N(CC(C)C)C(=O)/C=C/c2cc(C(=O)[O-])co2)cc1 ZINC001599584320 993592775 /nfs/dbraw/zinc/59/27/75/993592775.db2.gz MUWZSSMDPVQZKG-CMDGGOBGSA-N -1 0 343.379 3.689 20 0 EHADRM COc1ccc(NC(=O)C2CCc3ccccc3CC2)c(C(=O)[O-])c1 ZINC001599589245 993656862 /nfs/dbraw/zinc/65/68/62/993656862.db2.gz CVNWCPXVBNPKQQ-UHFFFAOYSA-N -1 0 339.391 3.527 20 0 EHADRM C[C@H](NC(=O)NCCCCC1(C(=O)[O-])CCC1)C1CCC(F)CC1 ZINC001593088805 993702361 /nfs/dbraw/zinc/70/23/61/993702361.db2.gz LSCOJGVOKDVRTO-NFOMZHRRSA-N -1 0 342.455 3.628 20 0 EHADRM COc1ccc(NC(=O)Nc2ccc(SC)c(C(=O)[O-])c2)cc1 ZINC001599593747 993722400 /nfs/dbraw/zinc/72/24/00/993722400.db2.gz AJUISBNTTHWGAC-UHFFFAOYSA-N -1 0 332.381 3.759 20 0 EHADRM C[C@H](NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1)c1cccc(C2CC2)c1 ZINC001593107948 993760331 /nfs/dbraw/zinc/76/03/31/993760331.db2.gz BPIVLWOPQYGOSA-AHIWAGSCSA-N -1 0 330.428 3.568 20 0 EHADRM C[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccc1F)C1CCC(F)(F)CC1 ZINC001593110020 993779411 /nfs/dbraw/zinc/77/94/11/993779411.db2.gz UCUFOMUXINZBQJ-SECBINFHSA-N -1 0 344.333 3.859 20 0 EHADRM COc1ccc(OC(=O)c2cccc(C(=O)[O-])c2)c(C(C)(C)C)c1 ZINC001599600979 993815013 /nfs/dbraw/zinc/81/50/13/993815013.db2.gz UQGWSIJOORSELI-UHFFFAOYSA-N -1 0 328.364 3.910 20 0 EHADRM C[C@H](NC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)[C@@H]1CCCOC1 ZINC001593118384 993828593 /nfs/dbraw/zinc/82/85/93/993828593.db2.gz KSUSWMJXRLDGKK-WDEREUQCSA-N -1 0 348.424 3.536 20 0 EHADRM C[C@@H](NC(=O)Nc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593125385 993863278 /nfs/dbraw/zinc/86/32/78/993863278.db2.gz YEGSVTPNTXQFJY-TZMCWYRMSA-N -1 0 346.814 3.794 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2C(=O)Oc2cc(C(=O)[O-])cc(F)c2C)cc1 ZINC001599620503 994074175 /nfs/dbraw/zinc/07/41/75/994074175.db2.gz IYWBFMYXSCDVQE-LSDHHAIUSA-N -1 0 344.338 3.550 20 0 EHADRM COc1ccc2c(c1)[C@@H](C(=O)OCc1cc(C(=O)[O-])sc1C)CC2 ZINC001599624257 994126424 /nfs/dbraw/zinc/12/64/24/994126424.db2.gz AYRDFTJJHOZFJP-AWEZNQCLSA-N -1 0 346.404 3.537 20 0 EHADRM COc1ccc2c(c1)C(C)(C)C[C@H]2N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001599624398 994128170 /nfs/dbraw/zinc/12/81/70/994128170.db2.gz CVPXXGLIEFSSMP-QMTHXVAHSA-N -1 0 346.452 3.923 20 0 EHADRM C[C@H](N[C@H](C(=O)[O-])c1ccccc1F)c1nc(C2CCCCC2)no1 ZINC001593196093 994151957 /nfs/dbraw/zinc/15/19/57/994151957.db2.gz UGSGRKMAFPAAOJ-NHYWBVRUSA-N -1 0 347.390 3.733 20 0 EHADRM COc1ccc2c(c1)CCCCN2C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001599628449 994183184 /nfs/dbraw/zinc/18/31/84/994183184.db2.gz LVVWXZPZEWRLMN-UHFFFAOYSA-N -1 0 340.379 3.768 20 0 EHADRM COc1ccc2c(c1)N(Cc1ccc(C(=O)[O-])c(Cl)c1)C[C@H](C)O2 ZINC001599629556 994196482 /nfs/dbraw/zinc/19/64/82/994196482.db2.gz FKBBYMDRRBGBRF-NSHDSACASA-N -1 0 347.798 3.834 20 0 EHADRM COc1ccc2ccc(C(=O)N(C)Cc3ccc(C(=O)[O-])cc3)cc2c1 ZINC001599635607 994283868 /nfs/dbraw/zinc/28/38/68/994283868.db2.gz AOSPPBHXODOHIE-UHFFFAOYSA-N -1 0 349.386 3.819 20 0 EHADRM COc1cccc(-c2nnc(S[C@H](C)c3ccc(C(=O)[O-])o3)o2)c1 ZINC001599639162 994332810 /nfs/dbraw/zinc/33/28/10/994332810.db2.gz LUQMSFZUSLXVIL-SECBINFHSA-N -1 0 346.364 3.890 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1cccc2c1CCCCC2 ZINC001599643437 994390797 /nfs/dbraw/zinc/39/07/97/994390797.db2.gz HOAAWWCNSMRCEQ-UHFFFAOYSA-N -1 0 340.375 3.882 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1ccc(F)c(Cl)c1F ZINC001599644185 994401941 /nfs/dbraw/zinc/40/19/41/994401941.db2.gz XDICZCFMKSYTKI-UHFFFAOYSA-N -1 0 342.681 3.544 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)[C@H](C)CCc1ccc(F)cc1 ZINC001599645030 994413954 /nfs/dbraw/zinc/41/39/54/994413954.db2.gz WLXZCJMXDQFBMI-GFCCVEGCSA-N -1 0 346.354 3.707 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)N[C@]2(C(=O)[O-])CCCC(C)(C)C2)c1 ZINC001599655038 994564283 /nfs/dbraw/zinc/56/42/83/994564283.db2.gz IBNHQGSNRFJAOS-VBKZILBWSA-N -1 0 347.455 3.729 20 0 EHADRM COc1cccc([C@H](NCc2ccc(C(C)(C)C)s2)C(=O)[O-])c1 ZINC001599660422 994647778 /nfs/dbraw/zinc/64/77/78/994647778.db2.gz VEUZVNRZGCCGSO-INIZCTEOSA-N -1 0 333.453 3.970 20 0 EHADRM COc1cccc([C@H](Nc2ccc(COC(C)C)cc2)C(=O)[O-])c1 ZINC001599661055 994657228 /nfs/dbraw/zinc/65/72/28/994657228.db2.gz ZCKQGSCDCCVIAF-SFHVURJKSA-N -1 0 329.396 3.858 20 0 EHADRM C[C@H](NCc1cc(C(=O)[O-])ccc1F)c1cc(Cl)cc2c1OCC2 ZINC001593288641 994657851 /nfs/dbraw/zinc/65/78/51/994657851.db2.gz LNLPGZKAWYGCPM-JTQLQIEISA-N -1 0 349.789 3.963 20 0 EHADRM COc1cccc([C@@H](Sc2nnc(-c3ccccc3)o2)C(=O)[O-])c1 ZINC001599661863 994667717 /nfs/dbraw/zinc/66/77/17/994667717.db2.gz SMDFYXFYNUSYQL-CQSZACIVSA-N -1 0 342.376 3.663 20 0 EHADRM COc1cccc(C2(NC(=O)Nc3ccc(C(=O)[O-])cc3C)CC2)c1 ZINC001599664652 994709931 /nfs/dbraw/zinc/70/99/31/994709931.db2.gz IAIBRWUZFQIYOW-UHFFFAOYSA-N -1 0 340.379 3.513 20 0 EHADRM COc1cccc(C[C@H](C)CC(=O)Nc2cc(C(=O)[O-])ccc2F)c1 ZINC001599667008 994746637 /nfs/dbraw/zinc/74/66/37/994746637.db2.gz VUVPYNKBKZRHFR-LBPRGKRZSA-N -1 0 345.370 3.740 20 0 EHADRM C[C@H](NCc1nc(C(C)(C)C)cs1)c1ccc(OCC(=O)[O-])cc1 ZINC001593311373 994781679 /nfs/dbraw/zinc/78/16/79/994781679.db2.gz FZVHGQBIAVUWNU-LBPRGKRZSA-N -1 0 348.468 3.755 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2ccc(N3CCCC3)c(F)c2)CCCC1 ZINC000077589245 1015889412 /nfs/dbraw/zinc/88/94/12/1015889412.db2.gz UQHKBYORORYQMS-UHFFFAOYSA-N -1 0 348.418 3.790 20 0 EHADRM C[C@H](Nc1ccc(N(C)C(=O)OC(C)(C)C)cc1)[C@H]1C[C@H]1C(=O)[O-] ZINC001593362429 995032309 /nfs/dbraw/zinc/03/23/09/995032309.db2.gz HIKRAURPDYMWKN-NILFDRSVSA-N -1 0 334.416 3.579 20 0 EHADRM C[C@@H](Nc1cncc(C(=O)[O-])n1)c1cccc(SC(F)(F)F)c1 ZINC001593368054 995061854 /nfs/dbraw/zinc/06/18/54/995061854.db2.gz UDBOFGARYQTJMP-MRVPVSSYSA-N -1 0 343.330 3.960 20 0 EHADRM CCCCOc1ccc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000327048360 1015933278 /nfs/dbraw/zinc/93/32/78/1015933278.db2.gz MGKYOWLTEQOTJK-INIZCTEOSA-N -1 0 347.455 3.829 20 0 EHADRM C[C@H](OC(=O)C1(Cc2ccccc2)CCC1)c1cc(C(=O)[O-])co1 ZINC001593497183 995482996 /nfs/dbraw/zinc/48/29/96/995482996.db2.gz XYPVWXLXLTWIDB-ZDUSSCGKSA-N -1 0 328.364 3.995 20 0 EHADRM C[C@H](OC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)c1cc(C(=O)[O-])co1 ZINC001593500508 995498590 /nfs/dbraw/zinc/49/85/90/995498590.db2.gz NMSBOHYGVMVSAY-QWRKXWFKSA-N -1 0 336.290 3.664 20 0 EHADRM C[C@@H](OC(=O)C12CCC(C(=O)[O-])(CC1)C2)c1cnc2ccccc2c1 ZINC001593502234 995508808 /nfs/dbraw/zinc/50/88/08/995508808.db2.gz WRPRLNCCWSIBNX-JYMLRBTQSA-N -1 0 339.391 3.874 20 0 EHADRM C[C@@H](OC(=O)CCc1ccc2ccccc2c1)c1nc(C(=O)[O-])co1 ZINC001593527315 995571230 /nfs/dbraw/zinc/57/12/30/995571230.db2.gz FQQWEAVZAJJISK-GFCCVEGCSA-N -1 0 339.347 3.763 20 0 EHADRM C[C@H](OC(=O)Cc1cccc(C(F)(F)F)c1)c1cc(C(=O)[O-])co1 ZINC001593536958 995599986 /nfs/dbraw/zinc/59/99/86/995599986.db2.gz DFPRYNDUNXBOLH-VIFPVBQESA-N -1 0 342.269 3.844 20 0 EHADRM C[C@H](OC(=O)Cc1coc2cc(F)ccc12)c1cc(C(=O)[O-])co1 ZINC001593537474 995604394 /nfs/dbraw/zinc/60/43/94/995604394.db2.gz RWIVHCWIDJIMHD-VIFPVBQESA-N -1 0 332.283 3.710 20 0 EHADRM C[C@@H](OC(=O)Cc1coc(-c2cccs2)n1)c1cc(C(=O)[O-])co1 ZINC001593537891 995605935 /nfs/dbraw/zinc/60/59/35/995605935.db2.gz ZWVVJAGGPOCPPF-SECBINFHSA-N -1 0 347.348 3.541 20 0 EHADRM C[C@@H](OC(=O)c1cc2ccccc2cc1O)c1ccc(C(=O)[O-])o1 ZINC001593573212 995671153 /nfs/dbraw/zinc/67/11/53/995671153.db2.gz PTXPWEHFFVVTHH-SNVBAGLBSA-N -1 0 326.304 3.755 20 0 EHADRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])o1)[C@H](C)c1nc2ccccc2s1 ZINC001593574736 995679214 /nfs/dbraw/zinc/67/92/14/995679214.db2.gz LBQYXKLJBVFNHJ-VHSXEESVSA-N -1 0 345.376 3.937 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001593602460 995763399 /nfs/dbraw/zinc/76/33/99/995763399.db2.gz GGFXBLQTXDGTLK-GOEBONIOSA-N -1 0 339.476 3.512 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001593602459 995763423 /nfs/dbraw/zinc/76/34/23/995763423.db2.gz GGFXBLQTXDGTLK-GDBMZVCRSA-N -1 0 339.476 3.512 20 0 EHADRM C[C@H](OCCc1ccccc1)C(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC001593607629 995788351 /nfs/dbraw/zinc/78/83/51/995788351.db2.gz GCUCBAYOPGHXCD-LBPRGKRZSA-N -1 0 348.782 3.591 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cccc(F)c1)c1ccc(Cl)c(F)c1 ZINC000238166349 1015978089 /nfs/dbraw/zinc/97/80/89/1015978089.db2.gz BGSIOFDUADMUKB-CQSZACIVSA-N -1 0 339.725 3.564 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)C[C@H]2CCCC[C@@H]2C)cc1F)C(=O)[O-] ZINC001593624222 995884912 /nfs/dbraw/zinc/88/49/12/995884912.db2.gz HYXSUOUZAWRGRN-RWMBFGLXSA-N -1 0 337.391 3.833 20 0 EHADRM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC001593635726 995933626 /nfs/dbraw/zinc/93/36/26/995933626.db2.gz YWXNMZHZFZYUHX-AWEZNQCLSA-N -1 0 347.455 3.513 20 0 EHADRM C[C@H](Oc1cccc(Cl)c1)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC001593639336 995940506 /nfs/dbraw/zinc/94/05/06/995940506.db2.gz IOUFFLOQGZKQFE-UWVGGRQHSA-N -1 0 338.743 3.703 20 0 EHADRM C[C@H](Oc1ccccc1CN(CC1CCC1)CC(F)(F)F)C(=O)[O-] ZINC001593644442 995961173 /nfs/dbraw/zinc/96/11/73/995961173.db2.gz KMOGCOFKBOHVHM-LBPRGKRZSA-N -1 0 345.361 3.703 20 0 EHADRM CCc1cc(C(=O)N2CC[C@@H](C(=O)[O-])C2)sc1-c1ccccc1 ZINC000655534330 1015998569 /nfs/dbraw/zinc/99/85/69/1015998569.db2.gz GHTPLSYDDQCUDV-CQSZACIVSA-N -1 0 329.421 3.524 20 0 EHADRM C[C@H](Sc1ccc(C(=O)[O-])cc1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC001593664478 996052066 /nfs/dbraw/zinc/05/20/66/996052066.db2.gz VNCSALLCUZTTDI-NFFDBFGFSA-N -1 0 335.469 3.806 20 0 EHADRM C[C@H](Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)C(=O)[O-] ZINC001593678348 996091675 /nfs/dbraw/zinc/09/16/75/996091675.db2.gz KPKOXTDASPUKDP-NSHDSACASA-N -1 0 343.383 3.639 20 0 EHADRM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC001593693209 996142926 /nfs/dbraw/zinc/14/29/26/996142926.db2.gz KWSFOVHHWKUCGT-QMMMGPOBSA-N -1 0 340.351 3.949 20 0 EHADRM C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001593705989 996194070 /nfs/dbraw/zinc/19/40/70/996194070.db2.gz NAUMJVOUDJDYEL-XYVMCAHJSA-N -1 0 344.455 3.608 20 0 EHADRM C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001593705988 996194246 /nfs/dbraw/zinc/19/42/46/996194246.db2.gz NAUMJVOUDJDYEL-MVJTYMMSSA-N -1 0 344.455 3.608 20 0 EHADRM C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001593706295 996196187 /nfs/dbraw/zinc/19/61/87/996196187.db2.gz PEPLDHCLLRLRIF-BBRMVZONSA-N -1 0 339.395 3.580 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(C)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001593713600 996222576 /nfs/dbraw/zinc/22/25/76/996222576.db2.gz PHBPBZZNYBCFKR-LBPRGKRZSA-N -1 0 346.814 3.670 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)[N-]S(=O)(=O)CCCF)cc1 ZINC000080312604 1016016980 /nfs/dbraw/zinc/01/69/80/1016016980.db2.gz RTOAJFQQQFFZAN-UHFFFAOYSA-N -1 0 341.429 3.718 20 0 EHADRM C[C@H](c1ncc(C(=O)[O-])s1)N1C[C@@H]2CCCCN2c2ccccc21 ZINC001593731959 996306300 /nfs/dbraw/zinc/30/63/00/996306300.db2.gz LDFZGLBULGHRCJ-OLZOCXBDSA-N -1 0 343.452 3.781 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N(CCC(=O)[O-])C1CC1 ZINC000683304899 1016025693 /nfs/dbraw/zinc/02/56/93/1016025693.db2.gz ALBJSROEZODOJA-UHFFFAOYSA-N -1 0 337.375 3.974 20 0 EHADRM C[C@]1(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CCCc2ccccc21 ZINC001593757957 996410996 /nfs/dbraw/zinc/41/09/96/996410996.db2.gz FZUUEIYJVSQFGB-IBGZPJMESA-N -1 0 345.345 3.896 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)N[C@@H](CC2CCC2)c2ccccc2)C1 ZINC001593767447 996449506 /nfs/dbraw/zinc/44/95/06/996449506.db2.gz BKXFLIABDPSAGR-PXNSSMCTSA-N -1 0 344.455 3.814 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)Nc2ncc(-c3ccccc3)s2)C1 ZINC001593771676 996466106 /nfs/dbraw/zinc/46/61/06/996466106.db2.gz VZTKCZNKVGUGJC-KRWDZBQOSA-N -1 0 345.424 3.529 20 0 EHADRM CC1(C)C[C@H](OC(=O)Cc2ccccc2C(=O)[O-])c2ccccc2O1 ZINC001593862347 996661138 /nfs/dbraw/zinc/66/11/38/996661138.db2.gz ZXMFVTIHBFHZHT-KRWDZBQOSA-N -1 0 340.375 3.773 20 0 EHADRM CC1(C)C[C@@]1(NC(=O)Nc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC001593868193 996674178 /nfs/dbraw/zinc/67/41/78/996674178.db2.gz FUFXPNOWWIJTAK-QGZVFWFLSA-N -1 0 330.409 3.893 20 0 EHADRM C[C@](Cc1ccc(F)cc1)(NC(=O)C=C1CCC(C)(C)CC1)C(=O)[O-] ZINC001593870854 996681854 /nfs/dbraw/zinc/68/18/54/996681854.db2.gz IGFKFFKXCONTCU-HXUWFJFHSA-N -1 0 347.430 3.854 20 0 EHADRM CC1(C)CC[C@@H](C(=O)Nc2cc(Cl)c(Cl)cc2C(=O)[O-])O1 ZINC001593873973 996686477 /nfs/dbraw/zinc/68/64/77/996686477.db2.gz COFDNCWKGLZCHV-NSHDSACASA-N -1 0 332.183 3.588 20 0 EHADRM CC1(C)CC[C@H](C(=O)Nc2cc(C(=O)[O-])cc(Cl)c2Cl)O1 ZINC001593874025 996686868 /nfs/dbraw/zinc/68/68/68/996686868.db2.gz DIYTZZMJPYQOLA-SNVBAGLBSA-N -1 0 332.183 3.588 20 0 EHADRM CC1(C)CC[C@@H](C(=O)Nc2cc(C(F)(F)F)cnc2C(=O)[O-])C1 ZINC001593875160 996694084 /nfs/dbraw/zinc/69/40/84/996694084.db2.gz ZZSXASKRGOYNDQ-MRVPVSSYSA-N -1 0 330.306 3.563 20 0 EHADRM CC1(C)CC[C@H]1C(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001593883908 996719901 /nfs/dbraw/zinc/71/99/01/996719901.db2.gz XZWBXIWLPBGTKE-RYUDHWBXSA-N -1 0 330.302 3.968 20 0 EHADRM CC1(C)CCC[C@@](NC(=O)CCc2ccc(Cl)s2)(C(=O)[O-])C1 ZINC001593891371 996736618 /nfs/dbraw/zinc/73/66/18/996736618.db2.gz JOEQNOCPWSLUBY-INIZCTEOSA-N -1 0 343.876 3.874 20 0 EHADRM CC1(C)CCC[C@@H](NC(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)C1 ZINC001593891747 996737630 /nfs/dbraw/zinc/73/76/30/996737630.db2.gz GHNZJLSWBVRAGD-GFCCVEGCSA-N -1 0 348.418 3.560 20 0 EHADRM CC1(C)CCC[C@](NC(=O)Cc2cccc(Cl)c2F)(C(=O)[O-])C1 ZINC001593892965 996744586 /nfs/dbraw/zinc/74/45/86/996744586.db2.gz ZGWVQLRUKKWPFM-QGZVFWFLSA-N -1 0 341.810 3.561 20 0 EHADRM CC1(C)CCC[C@@](NC(=O)c2ccccc2OCC2CC2)(C(=O)[O-])C1 ZINC001593893039 996745159 /nfs/dbraw/zinc/74/51/59/996745159.db2.gz WKRXXCRKEGFCLJ-FQEVSTJZSA-N -1 0 345.439 3.629 20 0 EHADRM CC1(C)CCC[C@@H]1[C@@H]1CCN(C(=O)c2cc(F)cc(C(=O)[O-])c2)C1 ZINC001593897229 996757515 /nfs/dbraw/zinc/75/75/15/996757515.db2.gz KQYHLFBEXJZLQT-MLGOLLRUSA-N -1 0 333.403 3.812 20 0 EHADRM CC1(C)CCC[C@@H]1[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC001593898333 996760657 /nfs/dbraw/zinc/76/06/57/996760657.db2.gz URKPSTQFDBQUAT-UKRRQHHQSA-N -1 0 333.403 3.812 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@H]1CCC[C@H]1c1ccccc1 ZINC001599379143 996803629 /nfs/dbraw/zinc/80/36/29/996803629.db2.gz WNGAZZUXMPHPQK-HOTGVXAUSA-N -1 0 340.375 3.883 20 0 EHADRM COc1ccc(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)c(F)c1 ZINC001599485626 996844427 /nfs/dbraw/zinc/84/44/27/996844427.db2.gz BEOUEFQXAYWAPS-UHFFFAOYSA-N -1 0 339.322 3.938 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)cc1C ZINC001599486311 996854912 /nfs/dbraw/zinc/85/49/12/996854912.db2.gz GZAJLVJAVMTZIC-UHFFFAOYSA-N -1 0 331.393 3.676 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])nc1Cl ZINC001599486528 996859250 /nfs/dbraw/zinc/85/92/50/996859250.db2.gz YZMADMADSCKUEU-UHFFFAOYSA-N -1 0 348.786 3.818 20 0 EHADRM COCc1c2ccccc2oc1C(=O)O[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001599279562 996871265 /nfs/dbraw/zinc/87/12/65/996871265.db2.gz ZYVRSFBRPPCJRM-JTQLQIEISA-N -1 0 344.319 3.788 20 0 EHADRM CC1(C)CN(C(=O)c2ccc(C(=O)[O-])c(F)c2)CC[C@@H]1C(F)(F)F ZINC001593936353 996916029 /nfs/dbraw/zinc/91/60/29/996916029.db2.gz CFXBIKLTSKCWFR-LBPRGKRZSA-N -1 0 347.308 3.575 20 0 EHADRM COCc1cc(Cl)ccc1NCc1ccc(OCC(=O)[O-])cc1 ZINC001599282504 996916426 /nfs/dbraw/zinc/91/64/26/996916426.db2.gz SFHIQNHVSTUCBY-UHFFFAOYSA-N -1 0 335.787 3.562 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@@H]2[C@@H](C)[C@@H]2c2ccccc2)c1F ZINC001599490170 996924233 /nfs/dbraw/zinc/92/42/33/996924233.db2.gz SZEXMFHVXZWCDK-COLVAYQJSA-N -1 0 343.354 3.521 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)Cc2ccc(C)cc2)c1 ZINC001599490513 996930326 /nfs/dbraw/zinc/93/03/26/996930326.db2.gz WFAWZXZUBIWWJD-ZDUSSCGKSA-N -1 0 327.380 3.519 20 0 EHADRM COCc1cc(NC(=O)N2C[C@H](C)CCC[C@H]2C)cc(C(=O)[O-])c1 ZINC001599286434 996985796 /nfs/dbraw/zinc/98/57/96/996985796.db2.gz YCZSKYBSBIMWNP-CHWSQXEVSA-N -1 0 334.416 3.574 20 0 EHADRM COc1cc([C@@H](C)NC(=O)c2ccc(C(=O)[O-])o2)cc2ccccc21 ZINC001599389245 997002535 /nfs/dbraw/zinc/00/25/35/997002535.db2.gz MMFHAMUAGTXAKM-LLVKDONJSA-N -1 0 339.347 3.631 20 0 EHADRM COCc1cc(N[C@H](C)Cc2ccc(OC)cc2)cc(C(=O)[O-])c1 ZINC001599288058 997014769 /nfs/dbraw/zinc/01/47/69/997014769.db2.gz OQMZEQLGDRNFMK-CYBMUJFWSA-N -1 0 329.396 3.583 20 0 EHADRM COc1cc(C)c([C@H](C)OC(=O)c2cccc(C(=O)[O-])c2)cc1C ZINC001599390999 997036004 /nfs/dbraw/zinc/03/60/04/997036004.db2.gz UZKJKQLQDJEYDB-ZDUSSCGKSA-N -1 0 328.364 3.928 20 0 EHADRM COCC1(C(=O)Nc2cc(C(=O)[O-])cc(Cl)c2Cl)CCCC1 ZINC001599186568 997036058 /nfs/dbraw/zinc/03/60/58/997036058.db2.gz LHZWNMTVOKTDIB-UHFFFAOYSA-N -1 0 346.210 3.837 20 0 EHADRM COCc1cc(NCc2cc3c(ccnc3Cl)o2)cc(C(=O)[O-])c1 ZINC001599289727 997043208 /nfs/dbraw/zinc/04/32/08/997043208.db2.gz MBUINHATSUFMKZ-UHFFFAOYSA-N -1 0 346.770 3.938 20 0 EHADRM COc1cc(C)cc(CNC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC001599393221 997077446 /nfs/dbraw/zinc/07/74/46/997077446.db2.gz ZOIJGCLAUCGIBW-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM COc1cc(C)ccc1CNC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC001599393557 997082327 /nfs/dbraw/zinc/08/23/27/997082327.db2.gz ODTIWAHCWRMXSY-ZDUSSCGKSA-N -1 0 342.395 3.513 20 0 EHADRM COc1cc(C)ccc1C(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC001599394682 997102692 /nfs/dbraw/zinc/10/26/92/997102692.db2.gz VSDIVOOVHSDEQR-LJQANCHMSA-N -1 0 349.386 3.713 20 0 EHADRM COc1cc(C)cnc1C(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC001599395343 997115511 /nfs/dbraw/zinc/11/55/11/997115511.db2.gz ZCZBKEYZUYRTTQ-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1Oc1nc(C)nc2c1CCCC2 ZINC001599401120 997216250 /nfs/dbraw/zinc/21/62/50/997216250.db2.gz XUCLIWBWIXOASO-CSKARUKUSA-N -1 0 340.379 3.563 20 0 EHADRM COc1ccc([C@H](C)CC(=O)NC2(CCC(=O)[O-])CCCCC2)cc1 ZINC001599506581 997221099 /nfs/dbraw/zinc/22/10/99/997221099.db2.gz IYFJFIUJHRACOR-OAHLLOKOSA-N -1 0 347.455 3.873 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1ccc(C2CC2)cc1 ZINC001599401704 997225577 /nfs/dbraw/zinc/22/55/77/997225577.db2.gz ZIDQMDKDOCLQCW-JYOAFUTRSA-N -1 0 338.359 3.890 20 0 EHADRM COc1ccc([C@H](C)N[C@H](C)c2ncc(C(=O)[O-])s2)cc1Cl ZINC001599508160 997249495 /nfs/dbraw/zinc/24/94/95/997249495.db2.gz CTCKJPBODJINHC-DTWKUNHWSA-N -1 0 340.832 3.915 20 0 EHADRM C[C@@]1(CC(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)CC1(Cl)Cl ZINC001593998359 997325859 /nfs/dbraw/zinc/32/58/59/997325859.db2.gz XMROJHVXQJDKHQ-SWLSCSKDSA-N -1 0 344.238 3.683 20 0 EHADRM CC1(CC(F)F)CN(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC001593999941 997355288 /nfs/dbraw/zinc/35/52/88/997355288.db2.gz VATCEUOLBUUZPO-UHFFFAOYSA-N -1 0 332.734 3.547 20 0 EHADRM COc1ccc([C@H](NC(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)C(=O)[O-])cc1 ZINC001599520891 997477772 /nfs/dbraw/zinc/47/77/72/997477772.db2.gz VKERWMCXUBIUBE-DEYYWGMASA-N -1 0 347.455 3.790 20 0 EHADRM CC1(CNC(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)CCCC1 ZINC001594020314 997528510 /nfs/dbraw/zinc/52/85/10/997528510.db2.gz MEAOOSQXRHYRNC-UHFFFAOYSA-N -1 0 328.771 3.879 20 0 EHADRM COc1cc(Cl)c(C)cc1NC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001599418631 997555199 /nfs/dbraw/zinc/55/51/99/997555199.db2.gz LOMBUYADEDBXOY-UHFFFAOYSA-N -1 0 333.771 3.536 20 0 EHADRM COc1cc(CNc2cc(C3CC3)nc(C3CC3)n2)ccc1C(=O)[O-] ZINC001599418720 997556080 /nfs/dbraw/zinc/55/60/80/997556080.db2.gz OSGXLQJMMNDMAS-UHFFFAOYSA-N -1 0 339.395 3.550 20 0 EHADRM COc1cc(Cl)c(Cl)cc1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001599420051 997578352 /nfs/dbraw/zinc/57/83/52/997578352.db2.gz WDZABOZYRQTYKV-KYZUINATSA-N -1 0 346.210 3.832 20 0 EHADRM COc1cc(Cl)c(Cl)cc1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001599420220 997581716 /nfs/dbraw/zinc/58/17/16/997581716.db2.gz ZLJOHPPQDPHLEQ-IUCAKERBSA-N -1 0 346.210 3.832 20 0 EHADRM CO[C@@H]1CCC[C@H](CC(=O)Nc2ccc(Cl)cc2C(=O)[O-])C1 ZINC001599113448 997611251 /nfs/dbraw/zinc/61/12/51/997611251.db2.gz TZWRTZNITBGWEB-CMPLNLGQSA-N -1 0 325.792 3.572 20 0 EHADRM CO[C@@H]1CCC[C@@H]1CNC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001599115886 997651239 /nfs/dbraw/zinc/65/12/39/997651239.db2.gz VWOCUJPHGXOHIX-ZWNOBZJWSA-N -1 0 348.424 3.536 20 0 EHADRM COc1ccc([C@H](NCc2cc3ccccc3s2)C(=O)[O-])cc1O ZINC001599531247 997657795 /nfs/dbraw/zinc/65/77/95/997657795.db2.gz IQIZQRFOMHGFPL-KRWDZBQOSA-N -1 0 343.404 3.531 20 0 EHADRM C[C@@]1(Cc2ccc(F)c(Cl)c2)CCCN1c1cc(C(=O)[O-])ncn1 ZINC001594041415 997661182 /nfs/dbraw/zinc/66/11/82/997661182.db2.gz JCFMPWLGDLATBZ-KRWDZBQOSA-N -1 0 349.793 3.569 20 0 EHADRM COc1cc(F)cc(CN2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)c1 ZINC001599426239 997681454 /nfs/dbraw/zinc/68/14/54/997681454.db2.gz HYTHXVPQIJJQNE-ROUUACIJSA-N -1 0 329.371 3.625 20 0 EHADRM COc1ccc([C@H](OC(=O)c2ccc(C(=O)[O-])o2)C2CC2)c(C)c1 ZINC001599533539 997701561 /nfs/dbraw/zinc/70/15/61/997701561.db2.gz FEMUAVWORRTDNI-MRXNPFEDSA-N -1 0 330.336 3.603 20 0 EHADRM COc1c(C)cc(Cl)cc1NC(=O)c1cccc(CC(=O)[O-])c1 ZINC001599330718 997743428 /nfs/dbraw/zinc/74/34/28/997743428.db2.gz ASVGBNCWBATZCB-UHFFFAOYSA-N -1 0 333.771 3.536 20 0 EHADRM C[C@@]1(NC(=O)Nc2cc(C(=O)[O-])cs2)CCCc2ccccc21 ZINC001594051722 997746277 /nfs/dbraw/zinc/74/62/77/997746277.db2.gz AMAPXGBVIYMHDC-QGZVFWFLSA-N -1 0 330.409 3.820 20 0 EHADRM C[C@]1(NC(=O)c2ccnc3cc(Cl)ccc32)CCCC[C@@H]1C(=O)[O-] ZINC001594055711 997790083 /nfs/dbraw/zinc/79/00/83/997790083.db2.gz IMVCTUXWFLBMFH-KDOFPFPSSA-N -1 0 346.814 3.652 20 0 EHADRM COc1cc(NC(=O)C2(Sc3ccccc3)CC2)ccc1C(=O)[O-] ZINC001599433113 997795125 /nfs/dbraw/zinc/79/51/25/997795125.db2.gz DXNXLYWCDIOCCS-UHFFFAOYSA-N -1 0 343.404 3.657 20 0 EHADRM COC(=O)c1cc(CNc2cc(F)cc(Cl)c2)cc(C(=O)[O-])c1 ZINC001598933376 997814278 /nfs/dbraw/zinc/81/42/78/997814278.db2.gz JYBMLVWFJUVRQF-UHFFFAOYSA-N -1 0 337.734 3.576 20 0 EHADRM COC(=O)c1cc(CSCc2ccc(C)nc2C)cc(C(=O)[O-])c1 ZINC001598933950 997825875 /nfs/dbraw/zinc/82/58/75/997825875.db2.gz ADOFOAYTLYQLSQ-UHFFFAOYSA-N -1 0 345.420 3.617 20 0 EHADRM COc1cc(NC(=O)N2CCCC3(CCCC3)CC2)ccc1C(=O)[O-] ZINC001599435923 997846641 /nfs/dbraw/zinc/84/66/41/997846641.db2.gz RJEKQGIRLJFZOE-UHFFFAOYSA-N -1 0 346.427 3.972 20 0 EHADRM COc1ccc(/C=C(/C)C(=O)Nc2ccc(C(=O)[O-])cc2)cc1F ZINC001599542463 997866689 /nfs/dbraw/zinc/86/66/89/997866689.db2.gz WBURDYNOYOKAJM-LUAWRHEFSA-N -1 0 329.327 3.575 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)C1CCC(F)(F)CC1 ZINC001599542485 997868094 /nfs/dbraw/zinc/86/80/94/997868094.db2.gz IYQIEGOCNKALPI-HWKANZROSA-N -1 0 340.322 3.524 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)/C=C(/C)c1ccccc1 ZINC001599543192 997879104 /nfs/dbraw/zinc/87/91/04/997879104.db2.gz MJKWODIMGMBNRW-PYANCPKHSA-N -1 0 338.359 3.802 20 0 EHADRM COc1c(NC(=O)[C@@H](C)c2cccc(Cl)c2)cccc1C(=O)[O-] ZINC001599338441 997880045 /nfs/dbraw/zinc/88/00/45/997880045.db2.gz WLASLYUZYGTVEV-JTQLQIEISA-N -1 0 333.771 3.789 20 0 EHADRM COc1cc(NC(=O)N[C@H]2CCC[C@@H]2C(C)(C)C)ccc1C(=O)[O-] ZINC001599438090 997884505 /nfs/dbraw/zinc/88/45/05/997884505.db2.gz KBSXRCIQCCADRB-KBPBESRZSA-N -1 0 334.416 3.730 20 0 EHADRM COc1ccc(/C=C\c2ncncc2C(=O)[O-])cc1OCCC(C)C ZINC001599544694 997903524 /nfs/dbraw/zinc/90/35/24/997903524.db2.gz WCJJZLBJMFDIRN-XQRVVYSFSA-N -1 0 342.395 3.779 20 0 EHADRM COc1c(NC(=O)N2CCC[C@@H]2CCC(C)C)cccc1C(=O)[O-] ZINC001599340522 997914037 /nfs/dbraw/zinc/91/40/37/997914037.db2.gz RCVKIXOBDUONHH-CYBMUJFWSA-N -1 0 334.416 3.826 20 0 EHADRM COc1c(NC(=O)N2CCC[C@@H]2c2ccccc2)cccc1C(=O)[O-] ZINC001599340869 997919470 /nfs/dbraw/zinc/91/94/70/997919470.db2.gz VGFAWKKWDQPKMS-MRXNPFEDSA-N -1 0 340.379 3.762 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1cccc(C2CC2)c1 ZINC001599545967 997923357 /nfs/dbraw/zinc/92/33/57/997923357.db2.gz SGGROCXIPFHAQM-UXBLZVDNSA-N -1 0 338.359 3.890 20 0 EHADRM COc1cc(NC(=O)Nc2cc(C(=O)[O-])ccn2)cc2ccccc21 ZINC001599441247 997932922 /nfs/dbraw/zinc/93/29/22/997932922.db2.gz RAPVBISKYUZKPQ-UHFFFAOYSA-N -1 0 337.335 3.586 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)c1cc(C)ccc1C ZINC001599546819 997936573 /nfs/dbraw/zinc/93/65/73/997936573.db2.gz QNTJOWUTZVIJMQ-CLFYSBASSA-N -1 0 326.348 3.629 20 0 EHADRM COc1c(NC(=O)c2cc3cccc(F)c3o2)cccc1C(=O)[O-] ZINC001599342765 997948957 /nfs/dbraw/zinc/94/89/57/997948957.db2.gz PBKGOBXJNCXJLM-UHFFFAOYSA-N -1 0 329.283 3.531 20 0 EHADRM COc1c(NC(=O)Nc2cc(C)c(O)c(C)c2C)cccc1C(=O)[O-] ZINC001599343363 997959149 /nfs/dbraw/zinc/95/91/49/997959149.db2.gz YPGZHUGAVRXWKT-UHFFFAOYSA-N -1 0 344.367 3.668 20 0 EHADRM CC1(c2ccccc2C(=O)NCc2ccc(C(=O)[O-])cc2F)CC1 ZINC001594079049 997960614 /nfs/dbraw/zinc/96/06/14/997960614.db2.gz IOGOEXLHUMGJNC-UHFFFAOYSA-N -1 0 327.355 3.505 20 0 EHADRM CC1(c2ccccc2)CN(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC001594079180 997962553 /nfs/dbraw/zinc/96/25/53/997962553.db2.gz OHEFLRLFJWGHNH-UHFFFAOYSA-N -1 0 344.798 3.844 20 0 EHADRM COc1cc(NCc2ccccc2O[C@@H](C)C(=O)[O-])ccc1Cl ZINC001599443204 997964422 /nfs/dbraw/zinc/96/44/22/997964422.db2.gz CQFAMCROVYTNAK-NSHDSACASA-N -1 0 335.787 3.813 20 0 EHADRM COc1c(N[C@H]2CC[C@H](c3ccc(Cl)cc3)C2)ncnc1C(=O)[O-] ZINC001599344028 997970127 /nfs/dbraw/zinc/97/01/27/997970127.db2.gz YUPGDBQMZGZNHI-AAEUAGOBSA-N -1 0 347.802 3.585 20 0 EHADRM COc1cc(NCc2ccc(C(=O)[O-])c(Cl)c2)c(C)c(OC)c1 ZINC001599443839 997974689 /nfs/dbraw/zinc/97/46/89/997974689.db2.gz OCIHWVZXYHJKGR-UHFFFAOYSA-N -1 0 335.787 3.976 20 0 EHADRM COc1cc(NCc2ccc3nc(C)sc3c2)ccc1C(=O)[O-] ZINC001599443823 997975051 /nfs/dbraw/zinc/97/50/51/997975051.db2.gz NQRPIVHTPTZULW-UHFFFAOYSA-N -1 0 328.393 3.924 20 0 EHADRM COc1c(NCc2cccc(OC(C)(C)C)n2)cccc1C(=O)[O-] ZINC001599345031 997988324 /nfs/dbraw/zinc/98/83/24/997988324.db2.gz TWCUBKIYHHOSFN-UHFFFAOYSA-N -1 0 330.384 3.578 20 0 EHADRM COc1cc(-c2nnc([C@@H](C)CC(=O)[O-])o2)ccc1OCCC(C)C ZINC001599346394 998014407 /nfs/dbraw/zinc/01/44/07/998014407.db2.gz DETBHWCBBONIAP-LBPRGKRZSA-N -1 0 348.399 3.748 20 0 EHADRM COc1cc(OC(=O)c2c(C)occ2C(F)(F)F)ccc1C(=O)[O-] ZINC001599447060 998025798 /nfs/dbraw/zinc/02/57/98/998025798.db2.gz CPNQHFXVZLYKNI-UHFFFAOYSA-N -1 0 344.241 3.533 20 0 EHADRM COc1ccc(CCC(=O)Oc2ccccc2C(=O)[O-])cc1Cl ZINC001599552203 998026782 /nfs/dbraw/zinc/02/67/82/998026782.db2.gz HADXQRDAAXZLFX-UHFFFAOYSA-N -1 0 334.755 3.585 20 0 EHADRM COc1ccc(CCCC(=O)Nc2ccc(F)c(C(=O)[O-])c2C)cc1 ZINC001599554093 998059609 /nfs/dbraw/zinc/05/96/09/998059609.db2.gz UPELLUNKPQBJCN-UHFFFAOYSA-N -1 0 345.370 3.802 20 0 EHADRM COc1cc(OC)c(OC)cc1N[C@@H](C)c1cc(C(=O)[O-])cs1 ZINC001599449663 998069916 /nfs/dbraw/zinc/06/99/16/998069916.db2.gz JDLVFTIRBMYBFW-VIFPVBQESA-N -1 0 337.397 3.645 20 0 EHADRM COc1cc(OC)cc([C@H](C(=O)[O-])N2CCCc3c(C)cccc32)c1 ZINC001599450236 998080258 /nfs/dbraw/zinc/08/02/58/998080258.db2.gz BKGIYELSSYWSNS-LJQANCHMSA-N -1 0 341.407 3.591 20 0 EHADRM COC(=O)c1cc(NC2CCC(CC(=O)[O-])CC2)ccc1SC ZINC001598947857 998089152 /nfs/dbraw/zinc/08/91/52/998089152.db2.gz YOTIAUIEBYHIDI-UHFFFAOYSA-N -1 0 337.441 3.641 20 0 EHADRM COc1cc(OC)cc([C@H](C(=O)[O-])N2CCc3c2cccc3Cl)c1 ZINC001599450692 998091903 /nfs/dbraw/zinc/09/19/03/998091903.db2.gz KKNMXRHQDRJCLZ-QGZVFWFLSA-N -1 0 347.798 3.546 20 0 EHADRM COC(=O)c1cc(OCc2cccc3ccccc32)cc(C(=O)[O-])c1 ZINC001598951294 998158740 /nfs/dbraw/zinc/15/87/40/998158740.db2.gz CBQQGHAMHYSPGA-UHFFFAOYSA-N -1 0 336.343 3.904 20 0 EHADRM COC(=O)c1cc(OCc2ccc(C(F)F)cc2)cc(C(=O)[O-])c1 ZINC001598951653 998165403 /nfs/dbraw/zinc/16/54/03/998165403.db2.gz MFEUWTVBWQUVLO-UHFFFAOYSA-N -1 0 336.290 3.688 20 0 EHADRM CC1=C(C(=O)[O-])C[C@@H](COc2ccc(SC(F)(F)F)cc2)O1 ZINC001594106265 998167521 /nfs/dbraw/zinc/16/75/21/998167521.db2.gz LRKYFODBUSDCNU-JTQLQIEISA-N -1 0 334.315 3.825 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)[C@]2(C)CCC(C)=C(C)C2)c1O ZINC001599358889 998226923 /nfs/dbraw/zinc/22/69/23/998226923.db2.gz SSBGNUZWUOZGEK-GOSISDBHSA-N -1 0 333.384 3.564 20 0 EHADRM Fc1ccc([C@@H]2C[C@H](N=c3nc(-c4ccccc4)o[n-]3)CCO2)cc1 ZINC000547785993 1016200858 /nfs/dbraw/zinc/20/08/58/1016200858.db2.gz WQVNXDUZLHCKQE-SJORKVTESA-N -1 0 339.370 3.630 20 0 EHADRM COc1cc(C(=O)[O-])cc(N[C@@H](C)Cc2ccccc2F)c1OC ZINC001599362259 998280148 /nfs/dbraw/zinc/28/01/48/998280148.db2.gz PWZMDUIVZCGSMV-NSHDSACASA-N -1 0 333.359 3.584 20 0 EHADRM C[C@@H]1C(=O)CC[C@H](c2nc(-c3cccc(C(=O)[O-])c3)no2)C1(C)C ZINC001594121565 998281435 /nfs/dbraw/zinc/28/14/35/998281435.db2.gz INMMFNLLOKRUJG-ZWNOBZJWSA-N -1 0 328.368 3.544 20 0 EHADRM COc1cc2c(cc1F)CC[C@H]2Nc1nc(Cl)c(C(=O)[O-])s1 ZINC001599465389 998350163 /nfs/dbraw/zinc/35/01/63/998350163.db2.gz SUXHQJLWNMFDLM-SECBINFHSA-N -1 0 342.779 3.742 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N(C)[C@@H](C)Cc1ccsc1 ZINC001599369754 998391416 /nfs/dbraw/zinc/39/14/16/998391416.db2.gz AIWKCZGLHIVZDW-NSHDSACASA-N -1 0 348.424 3.550 20 0 EHADRM COc1ccc(-c2ccccc2)cc1CNc1cccc(CC(=O)[O-])n1 ZINC001599468713 998412009 /nfs/dbraw/zinc/41/20/09/998412009.db2.gz NYOUWLATZDUPGQ-UHFFFAOYSA-N -1 0 348.402 3.996 20 0 EHADRM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)C[C@H](C)CCC=C(C)C ZINC001598966960 998439913 /nfs/dbraw/zinc/43/99/13/998439913.db2.gz WGMCATQZIFJVTF-CYBMUJFWSA-N -1 0 347.411 3.883 20 0 EHADRM COCCSc1ccc([C@@H](C)Nc2ccc(C(=O)[O-])c(C)n2)cc1 ZINC001599264681 998447452 /nfs/dbraw/zinc/44/74/52/998447452.db2.gz ISMFIQZBUVMQJH-GFCCVEGCSA-N -1 0 346.452 4.000 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NCc1nc2c(s1)C[C@H](C)CC2 ZINC001599375427 998478309 /nfs/dbraw/zinc/47/83/09/998478309.db2.gz WINADOXPACBPLT-SNVBAGLBSA-N -1 0 332.425 3.587 20 0 EHADRM COC(=O)c1ccc([C@@H](C)S[C@@H](Cc2ccc(C)cc2)C(=O)[O-])o1 ZINC001598969883 998494369 /nfs/dbraw/zinc/49/43/69/998494369.db2.gz QHESFBIRYLBCIK-WBMJQRKESA-N -1 0 348.420 3.865 20 0 EHADRM COCCn1c2ccccc2nc1S[C@H](C)c1ccc(C(=O)[O-])o1 ZINC001599267837 998498450 /nfs/dbraw/zinc/49/84/50/998498450.db2.gz JDAMQBHIXDXQSX-LLVKDONJSA-N -1 0 346.408 3.827 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)C1(c2ccc(C)cc2)CCC1 ZINC001599377721 998514343 /nfs/dbraw/zinc/51/43/43/998514343.db2.gz LOVXVUQGSDJESB-UHFFFAOYSA-N -1 0 340.375 3.729 20 0 EHADRM COC(=O)c1ccc2nc(SC[C@@H]3CCCC[C@@H]3C(=O)[O-])oc2c1 ZINC001598991880 998745055 /nfs/dbraw/zinc/74/50/55/998745055.db2.gz WPMSOCUOBGIPRS-RYUDHWBXSA-N -1 0 349.408 3.598 20 0 EHADRM COC(=O)c1cccc(C(=O)Nc2c(C(=O)[O-])ccc3ccccc32)c1 ZINC001598992285 998748313 /nfs/dbraw/zinc/74/83/13/998748313.db2.gz PSBBJEDTFQJOQV-UHFFFAOYSA-N -1 0 349.342 3.577 20 0 EHADRM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1C(=O)c1cc(Cl)ccc1Cl ZINC001594205664 998790442 /nfs/dbraw/zinc/79/04/42/998790442.db2.gz HUFRKSLMQAEROR-IUCAKERBSA-N -1 0 330.211 3.707 20 0 EHADRM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1C(=O)c1cc(-c2ccccc2)ns1 ZINC001594205922 998791922 /nfs/dbraw/zinc/79/19/22/998791922.db2.gz MOFKEULGQGUTAI-RYUDHWBXSA-N -1 0 344.436 3.524 20 0 EHADRM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1C(=O)c1ccc(Cl)c2occc21 ZINC001594206034 998792689 /nfs/dbraw/zinc/79/26/89/998792689.db2.gz OCSHAYZYFCHDPY-UWVGGRQHSA-N -1 0 335.787 3.800 20 0 EHADRM COC(=O)c1cccc(CSc2cc(Cl)ccc2C(=O)[O-])n1 ZINC001598999276 998808969 /nfs/dbraw/zinc/80/89/69/998808969.db2.gz KABGFXPCSXZIFA-UHFFFAOYSA-N -1 0 337.784 3.512 20 0 EHADRM C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)Nc1ccsc1C(=O)[O-] ZINC001594214977 998828347 /nfs/dbraw/zinc/82/83/47/998828347.db2.gz PTQAPZUUKMVJEH-JGVFFNPUSA-N -1 0 336.335 3.641 20 0 EHADRM C[C@@H]1CC(C(=O)NCCc2cc3ccc(C(=O)[O-])cc3o2)C[C@@H](C)C1 ZINC001594219492 998842553 /nfs/dbraw/zinc/84/25/53/998842553.db2.gz IXIUTAAUFSPQDZ-STQMWFEESA-N -1 0 343.423 3.862 20 0 EHADRM COC(=O)c1cccnc1CSc1cc(Cl)ccc1C(=O)[O-] ZINC001599004806 998847411 /nfs/dbraw/zinc/84/74/11/998847411.db2.gz OIIFREGDCQMZNE-UHFFFAOYSA-N -1 0 337.784 3.512 20 0 EHADRM C[C@H](SCc1ccccc1C(=O)[O-])C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC001594222567 998857407 /nfs/dbraw/zinc/85/74/07/998857407.db2.gz YGHRSOGFFUMGLA-MJBXVCDLSA-N -1 0 335.469 3.511 20 0 EHADRM C[C@H]1CC(CNC(=O)Nc2cccc(CCC(=O)[O-])c2)C[C@H](C)C1 ZINC001594223336 998861405 /nfs/dbraw/zinc/86/14/05/998861405.db2.gz UOVWLXUIUPYTCZ-ZIAGYGMSSA-N -1 0 332.444 3.898 20 0 EHADRM CC1CC(CNC(=O)Nc2cccc(CSCCC(=O)[O-])c2)C1 ZINC001594238962 998910101 /nfs/dbraw/zinc/91/01/01/998910101.db2.gz IISDDNRTUJEONJ-UHFFFAOYSA-N -1 0 336.457 3.562 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2cc(F)cc(C(=O)[O-])c2)C1 ZINC001594270453 999044694 /nfs/dbraw/zinc/04/46/94/999044694.db2.gz UUVFVTARPXDMIR-DIFFPNOSSA-N -1 0 345.345 3.886 20 0 EHADRM COC(C)(C)CC(=O)OCc1c(C(=O)[O-])sc2cccc(F)c21 ZINC001599032860 999063234 /nfs/dbraw/zinc/06/32/34/999063234.db2.gz IFHFRDLECBWHSV-UHFFFAOYSA-N -1 0 340.372 3.597 20 0 EHADRM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001594284224 999102040 /nfs/dbraw/zinc/10/20/40/999102040.db2.gz KSUWEAGSSMYLSP-MNLARUNXSA-N -1 0 329.440 3.637 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001594292386 999127561 /nfs/dbraw/zinc/12/75/61/999127561.db2.gz JTQVKSSASPRXTJ-NRUUGDAUSA-N -1 0 328.334 3.956 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@H]2N1c1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001594292385 999127611 /nfs/dbraw/zinc/12/76/11/999127611.db2.gz JTQVKSSASPRXTJ-GIPNMCIBSA-N -1 0 328.334 3.956 20 0 EHADRM C[C@@H]1CC[C@](C)(/C=C\C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)C1(C)C ZINC001594295400 999136167 /nfs/dbraw/zinc/13/61/67/999136167.db2.gz BDCZHLCNNRQYIK-USURCXGISA-N -1 0 333.472 3.718 20 0 EHADRM C[C@H]1CCC(C)(C)N1C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001594295938 999139664 /nfs/dbraw/zinc/13/96/64/999139664.db2.gz KXPKIOXSFFCSKP-QMMMGPOBSA-N -1 0 328.771 3.972 20 0 EHADRM CC1CCC(C)(CNC(=O)Cn2cc(C(=O)[O-])c3ccccc32)CC1 ZINC001594296960 999144457 /nfs/dbraw/zinc/14/44/57/999144457.db2.gz YZLRUWYQPBQKBR-UHFFFAOYSA-N -1 0 342.439 3.672 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)N[C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)C1 ZINC001594297134 999145646 /nfs/dbraw/zinc/14/56/46/999145646.db2.gz RYADPSQEIODIAN-JIMOISOXSA-N -1 0 329.318 3.541 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Oc1ccc(C(=O)[O-])cc1 ZINC001594299428 999156104 /nfs/dbraw/zinc/15/61/04/999156104.db2.gz ZPBMJAVJYMKIHP-COXVUDFISA-N -1 0 334.412 3.768 20 0 EHADRM C[C@@H]1CC[C@H](CC(=O)N[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)C1 ZINC001594301730 999164822 /nfs/dbraw/zinc/16/48/22/999164822.db2.gz GHOUQEUNZFLJQS-ZETOZRRWSA-N -1 0 343.345 3.774 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)(C(=O)[O-])c2ccccc21 ZINC001594315222 999220219 /nfs/dbraw/zinc/22/02/19/999220219.db2.gz UUXAQZBBPSVDST-WTCAHAKUSA-N -1 0 341.451 3.806 20 0 EHADRM CO[C@H](CNc1nc(C)nc2sc(C(=O)[O-])c(C)c21)C1CCCC1 ZINC001599055269 999225088 /nfs/dbraw/zinc/22/50/88/999225088.db2.gz CXXKUYTXMKSGRI-GFCCVEGCSA-N -1 0 349.456 3.623 20 0 EHADRM CO[C@H](CNc1ccc(C[C@@H](C)C(=O)[O-])cc1)Cc1ccccc1 ZINC001599056382 999233119 /nfs/dbraw/zinc/23/31/19/999233119.db2.gz VMIOYVJIGVMDSV-BEFAXECRSA-N -1 0 327.424 3.619 20 0 EHADRM C[C@@H]1CC[C@](NCc2noc3c2CCCC3)(C(=O)[O-])c2ccccc21 ZINC001594321888 999238590 /nfs/dbraw/zinc/23/85/90/999238590.db2.gz XLSUTTCHKJVUQF-ZUOKHONESA-N -1 0 340.423 3.520 20 0 EHADRM CO[C@H](CS[C@H](Cc1ccc(C)cc1)C(=O)[O-])Cc1ccccc1 ZINC001599060900 999264405 /nfs/dbraw/zinc/26/44/05/999264405.db2.gz XPHCLLFBEXBNRV-RBUKOAKNSA-N -1 0 344.476 3.982 20 0 EHADRM CC1CCC(OCC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC001594330254 999269821 /nfs/dbraw/zinc/26/98/21/999269821.db2.gz MWWOGDMTNQKOPV-UHFFFAOYSA-N -1 0 325.792 3.572 20 0 EHADRM C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)c2ccc(/C=C\C(=O)[O-])o2)C1 ZINC001594330713 999271225 /nfs/dbraw/zinc/27/12/25/999271225.db2.gz XDVQYFQUSOZSDN-SCWGMQOPSA-N -1 0 339.391 3.991 20 0 EHADRM C[C@@H]1CCC[C@@H](CNC(=O)Cn2cc(C(=O)[O-])c3ccccc32)[C@@H]1C ZINC001594346844 999314113 /nfs/dbraw/zinc/31/41/13/999314113.db2.gz SYBIVPNIYDTEFH-KFWWJZLASA-N -1 0 342.439 3.528 20 0 EHADRM C[C@@H]1CCC[C@H](CNC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)[C@@H]1C ZINC001594346934 999314307 /nfs/dbraw/zinc/31/43/07/999314307.db2.gz TYYWNSHDTFMZLX-FPCVCCKLSA-N -1 0 338.492 3.591 20 0 EHADRM C[C@H]1CCC[C@@H](CNC(=O)Nc2ccc(C(=O)[O-])c3ccccc23)O1 ZINC001594347307 999316024 /nfs/dbraw/zinc/31/60/24/999316024.db2.gz ZCSHHZWRHYHCSI-STQMWFEESA-N -1 0 342.395 3.617 20 0 EHADRM Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c2ccccc12 ZINC001594347617 999316482 /nfs/dbraw/zinc/31/64/82/999316482.db2.gz GIENKDNMDWNQQB-LJQANCHMSA-N -1 0 333.387 3.574 20 0 EHADRM C[C@H]1CCC[C@H](OCc2cccc(NC(=O)[C@H]3C[C@@H](C(=O)[O-])C3)c2)C1 ZINC001594356043 999343285 /nfs/dbraw/zinc/34/32/85/999343285.db2.gz PYQJAYHMBIDRBM-SCNOPHJPSA-N -1 0 345.439 3.831 20 0 EHADRM C[C@@H]1CCC[C@@H](OCCCCCC(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001594355990 999343554 /nfs/dbraw/zinc/34/35/54/999343554.db2.gz OWMQWFGCPXHFFW-HUUCEWRRSA-N -1 0 348.443 3.874 20 0 EHADRM C[C@@H]1CCC[C@@H]1CC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC001594356964 999349632 /nfs/dbraw/zinc/34/96/32/999349632.db2.gz HABGFNBNGUUAFJ-CHWSQXEVSA-N -1 0 340.423 3.577 20 0 EHADRM C[C@@H]1CCCC[C@@H]1C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001594361878 999367572 /nfs/dbraw/zinc/36/75/72/999367572.db2.gz OFMWFYIUCDDZHD-PUYPPJJSSA-N -1 0 327.783 3.547 20 0 EHADRM C[C@@H]1CCCC[C@H]1NC(=S)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001594370468 999396076 /nfs/dbraw/zinc/39/60/76/999396076.db2.gz HVDIGUJFYRPJDZ-PSASIEDQSA-N -1 0 328.384 3.528 20 0 EHADRM C[C@@H]1CCCC[C@@H]1OCC(=O)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001594370814 999398102 /nfs/dbraw/zinc/39/81/02/999398102.db2.gz MJHBLBGVGLOTNV-YGRLFVJLSA-N -1 0 326.776 3.539 20 0 EHADRM C[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])cn2)c2ccccc21 ZINC001594377741 999423479 /nfs/dbraw/zinc/42/34/79/999423479.db2.gz GAJGFFYUHVRRLC-GFCCVEGCSA-N -1 0 325.368 3.716 20 0 EHADRM C[C@H]1CCN(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)CC12CCCCC2 ZINC001594404023 999513559 /nfs/dbraw/zinc/51/35/59/999513559.db2.gz XNLYSUXRUVEXTR-XHSDSOJGSA-N -1 0 336.476 3.632 20 0 EHADRM C[C@H]1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c2ccccc2S1 ZINC001594407298 999527032 /nfs/dbraw/zinc/52/70/32/999527032.db2.gz RFCIJVHVERZQEJ-MELADBBJSA-N -1 0 333.453 3.795 20 0 EHADRM C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1Nc1cccc(C(=O)[O-])c1 ZINC001594407323 999527163 /nfs/dbraw/zinc/52/71/63/999527163.db2.gz SEAORXUHFGGVNY-CJNGLKHVSA-N -1 0 348.443 3.832 20 0 EHADRM C[C@@H]1CCc2c(sc3ncnc(Nc4cc(C(=O)[O-])n(C)c4)c32)C1 ZINC001594445250 999636983 /nfs/dbraw/zinc/63/69/83/999636983.db2.gz HNCJODUYOUSPCO-SECBINFHSA-N -1 0 342.424 3.596 20 0 EHADRM O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1c([O-])cccc1F ZINC000547797288 1016368309 /nfs/dbraw/zinc/36/83/09/1016368309.db2.gz RSWVWEAYZLXCFY-UHFFFAOYSA-N -1 0 345.761 3.682 20 0 EHADRM CCc1ccc2occ(C(=O)N[C@H](C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)c2c1 ZINC000655574837 1016376863 /nfs/dbraw/zinc/37/68/63/1016376863.db2.gz FACMBFHPWOFQIX-XFBWCDHKSA-N -1 0 343.423 3.860 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3[C@H](C)CC[C@@H]3C)n2)c1 ZINC000119293290 1016504825 /nfs/dbraw/zinc/50/48/25/1016504825.db2.gz PPYWJPKGAQKIFL-OKILXGFUSA-N -1 0 327.428 3.714 20 0 EHADRM CC(C)Cn1nccc1CNc1cc(C(=O)[O-])ccc1OC(C)C ZINC000647646785 1016584538 /nfs/dbraw/zinc/58/45/38/1016584538.db2.gz NZDAMDDNXJYKRQ-UHFFFAOYSA-N -1 0 331.416 3.637 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NC2(c3c(Cl)cccc3Cl)CC2)C1 ZINC000653292009 1016590349 /nfs/dbraw/zinc/59/03/49/1016590349.db2.gz JZYPSOGUCNJFPX-VHSXEESVSA-N -1 0 342.222 3.600 20 0 EHADRM CC(C)c1ccc(OCCC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000236675771 1016701628 /nfs/dbraw/zinc/70/16/28/1016701628.db2.gz NEYFLTUMYWENJI-KRWDZBQOSA-N -1 0 347.455 3.825 20 0 EHADRM C[C@@H]1[C@H](C(=O)N=c2nc(-c3ccccc3)[n-]s2)[C@H]1c1ccccc1 ZINC000430412888 1016930211 /nfs/dbraw/zinc/93/02/11/1016930211.db2.gz YKDHRTCFDOCFOK-MAZHCROVSA-N -1 0 335.432 3.615 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000659752873 1016979569 /nfs/dbraw/zinc/97/95/69/1016979569.db2.gz GXKYXSNSJVSAIR-SFHVURJKSA-N -1 0 341.407 3.763 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)Nc2ccc([C@@H](C)CC(=O)[O-])cc2)c1 ZINC000181768224 1016985148 /nfs/dbraw/zinc/98/51/48/1016985148.db2.gz CPVWMPLHFKJVNI-AWEZNQCLSA-N -1 0 347.436 3.682 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000653293992 1017068904 /nfs/dbraw/zinc/06/89/04/1017068904.db2.gz ZWVBKIDOGULJOE-SQNIBIBYSA-N -1 0 331.456 3.666 20 0 EHADRM Cc1cc(=O)[nH]cc1C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000182978053 1032155152 /nfs/dbraw/zinc/15/51/52/1032155152.db2.gz GHGLIUZGCRQFKI-UHFFFAOYSA-N -1 0 347.585 3.601 20 0 EHADRM O=C([O-])c1coc(C(=O)N[C@@H](Cc2ccccc2)c2cccs2)c1 ZINC000183794815 1032206478 /nfs/dbraw/zinc/20/64/78/1032206478.db2.gz FRHREKIIRCKQNX-AWEZNQCLSA-N -1 0 341.388 3.753 20 0 EHADRM Cc1ccc(C)c(OCCCOc2ccc(-c3n[n-]c(=N)o3)cc2)c1 ZINC000461065489 1032234103 /nfs/dbraw/zinc/23/41/03/1032234103.db2.gz IZVXPAVEYDWMAS-UHFFFAOYSA-N -1 0 339.395 3.614 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000449148460 1032249264 /nfs/dbraw/zinc/24/92/64/1032249264.db2.gz SXQVRZINMJISKT-LBPRGKRZSA-N -1 0 349.324 3.854 20 0 EHADRM [O-]c1cc(Cl)ccc1-c1nc([C@H]2COc3ccccc3O2)no1 ZINC000321101715 1032269194 /nfs/dbraw/zinc/26/91/94/1032269194.db2.gz VJLYZPBKFQQNPX-CQSZACIVSA-N -1 0 330.727 3.608 20 0 EHADRM Fc1ccc2cc(CN=c3nc(Cc4ccccc4)[n-]s3)[nH]c2c1 ZINC000461184297 1032315321 /nfs/dbraw/zinc/31/53/21/1032315321.db2.gz DEMGGOXIGJUEDQ-UHFFFAOYSA-N -1 0 338.411 3.783 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)C[C@@H]1CCC2(CCC2)CO1 ZINC000905007282 1032315550 /nfs/dbraw/zinc/31/55/50/1032315550.db2.gz UZBKBVATEHUTCH-HNNXBMFYSA-N -1 0 331.412 3.625 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cnc3ccccc3c2)c1Cl ZINC000538373607 1032326834 /nfs/dbraw/zinc/32/68/34/1032326834.db2.gz WDZVUWKHOWUHOJ-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000905268308 1032397097 /nfs/dbraw/zinc/39/70/97/1032397097.db2.gz HHKDIWQINKWEHX-UHFFFAOYSA-N -1 0 341.411 3.774 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cc(C)c(C)cc3C)n[nH]2)o1 ZINC000536894833 1032404046 /nfs/dbraw/zinc/40/40/46/1032404046.db2.gz XMSNNKCVSTVBPN-UHFFFAOYSA-N -1 0 345.424 3.704 20 0 EHADRM CC(C)c1scnc1NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000263053699 1032423404 /nfs/dbraw/zinc/42/34/04/1032423404.db2.gz NQCVDBULAQXJKE-UHFFFAOYSA-N -1 0 333.413 3.928 20 0 EHADRM Cc1cc(NS(=O)(=O)c2cccc3ccccc32)ccc1C(=O)[O-] ZINC000084460882 1032430355 /nfs/dbraw/zinc/43/03/55/1032430355.db2.gz WLIUHUCJQGPWFK-UHFFFAOYSA-N -1 0 341.388 3.647 20 0 EHADRM CCOC(=O)c1cnc(Nc2ccc(C(=O)[O-])cc2C)c(Cl)c1 ZINC001211618758 1032461680 /nfs/dbraw/zinc/46/16/80/1032461680.db2.gz POKSYXKINSDITI-UHFFFAOYSA-N -1 0 334.759 3.662 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)N(C)CCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000414634110 1017095836 /nfs/dbraw/zinc/09/58/36/1017095836.db2.gz WUESYJOOKBJBTQ-MLGOLLRUSA-N -1 0 340.851 3.933 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)N(CC(=O)[O-])Cc2ccccc2)c1C ZINC000579912065 1017098722 /nfs/dbraw/zinc/09/87/22/1017098722.db2.gz XSQHLZDBINBOKY-INIZCTEOSA-N -1 0 340.423 3.661 20 0 EHADRM C/C=C/C[C@H](NC(=O)Nc1ccc2c(ccn2CCC)c1)C(=O)[O-] ZINC000579912008 1017099421 /nfs/dbraw/zinc/09/94/21/1017099421.db2.gz SDQONOKJUNLEGC-UJAVWCLSSA-N -1 0 329.400 3.592 20 0 EHADRM Cc1cc(NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])ccc1-c1ccncc1 ZINC000601993768 1032585007 /nfs/dbraw/zinc/58/50/07/1032585007.db2.gz OSSKBNNRNILQLX-STQMWFEESA-N -1 0 344.436 3.590 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)NCc1ccc(-c2cccs2)cc1)C(=O)[O-] ZINC000601993234 1032585090 /nfs/dbraw/zinc/58/50/90/1032585090.db2.gz MOTQXEXYLRUZPH-RYUDHWBXSA-N -1 0 349.477 3.626 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000460123429 1032599606 /nfs/dbraw/zinc/59/96/06/1032599606.db2.gz CWXPXHVSQYOSML-WZRBSPASSA-N -1 0 348.497 3.873 20 0 EHADRM O=C(CCCc1ccc2ccccc2c1)N=c1ccc(C2CC2)n[n-]1 ZINC000537300536 1032606511 /nfs/dbraw/zinc/60/65/11/1032606511.db2.gz WGPMMWUCILYQNF-UHFFFAOYSA-N -1 0 331.419 3.891 20 0 EHADRM CCCN(CC)C(=O)N=c1[n-]nc([C@@H](CC)c2ccccc2)s1 ZINC000592937895 1032623851 /nfs/dbraw/zinc/62/38/51/1032623851.db2.gz KTOMXJLXRFBHQN-AWEZNQCLSA-N -1 0 332.473 3.766 20 0 EHADRM CC(C(=O)N(C)C1CCCCC1)=S([O-])c1nc(C(C)C)cs1 ZINC000593002722 1032637563 /nfs/dbraw/zinc/63/75/63/1032637563.db2.gz ULNRWTRQJHCBTF-VERVWZFWSA-N -1 0 342.530 3.554 20 0 EHADRM O=C([O-])CN(Cc1ccc(OCc2ccccn2)cc1)c1ccccc1 ZINC000347349096 1032658965 /nfs/dbraw/zinc/65/89/65/1032658965.db2.gz LPDVKCPHKXGMMK-UHFFFAOYSA-N -1 0 348.402 3.752 20 0 EHADRM O=S(=O)(C=C([O-])c1cccc(Cl)c1)c1ccccc1Cl ZINC000081906565 1017080006 /nfs/dbraw/zinc/08/00/06/1017080006.db2.gz MOAZGZHWWVZYLN-UHFFFAOYSA-N -1 0 329.204 3.650 20 0 EHADRM O=C([O-])[C@H]1CC12CCN(C(=O)c1cc(Cl)cc3ccccc31)CC2 ZINC000659120382 1017127077 /nfs/dbraw/zinc/12/70/77/1017127077.db2.gz LKTNGACVOKZKQJ-MRXNPFEDSA-N -1 0 343.810 3.820 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)[C@H](C(=O)[O-])C1 ZINC000128216717 1017137782 /nfs/dbraw/zinc/13/77/82/1017137782.db2.gz MMVFHUGCUJGTSN-PELKAZGASA-N -1 0 331.199 3.710 20 0 EHADRM C[C@H](CCC(C)(C)C)C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000755580951 1032703033 /nfs/dbraw/zinc/70/30/33/1032703033.db2.gz DQWPLPYTJAJKBT-LLVKDONJSA-N -1 0 331.865 3.607 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C/C=C\c1cccc(F)c1)C1CCCCC1 ZINC000537401865 1032704683 /nfs/dbraw/zinc/70/46/83/1032704683.db2.gz AMFSHSGNVZTUKD-WVRJYTFGSA-N -1 0 333.403 3.769 20 0 EHADRM CCC[C@H](C(=O)NCCCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000659129457 1017755579 /nfs/dbraw/zinc/75/55/79/1017755579.db2.gz QXCDUHXBBMEDPF-HNNXBMFYSA-N -1 0 325.836 3.985 20 0 EHADRM Cc1cc(NC(=O)c2ccc(O)cc2F)c(F)cc1Br ZINC000312440322 1017787318 /nfs/dbraw/zinc/78/73/18/1017787318.db2.gz WUPAXIJSWCOJNH-UHFFFAOYSA-N -1 0 342.139 3.994 20 0 EHADRM Cc1ccc(CN(C)C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1C ZINC000655899302 1017878229 /nfs/dbraw/zinc/87/82/29/1017878229.db2.gz DVXBGGJAHUPBDJ-HYVNUMGLSA-N -1 0 346.471 3.580 20 0 EHADRM CCC[C@H](C)[C@H]1CCCN1C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655902871 1017884658 /nfs/dbraw/zinc/88/46/58/1017884658.db2.gz VNHKBTPLLNUDCS-RFBLXINOSA-N -1 0 338.492 3.732 20 0 EHADRM CCN=c1[n-]nc(SCC2CCC(C(F)(F)F)CC2)s1 ZINC000471453794 1017891057 /nfs/dbraw/zinc/89/10/57/1017891057.db2.gz VMPLODHYKIDKQF-UHFFFAOYSA-N -1 0 325.425 3.853 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@@H](C(C)(C)C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655904036 1017894138 /nfs/dbraw/zinc/89/41/38/1017894138.db2.gz QREUTSODQDMURQ-APIJFGDWSA-N -1 0 338.492 3.590 20 0 EHADRM C[C@@H](NC(=O)NC(C)(C)CC(C)(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655905531 1017896045 /nfs/dbraw/zinc/89/60/45/1017896045.db2.gz XMJPZTHPBXQCIS-FRRDWIJNSA-N -1 0 326.481 3.636 20 0 EHADRM C[C@@H]1c2ccc(F)cc2CCN1C(=O)N=c1[n-]nc(C(C)(C)C)s1 ZINC000606557446 1032750929 /nfs/dbraw/zinc/75/09/29/1032750929.db2.gz VHYZYCIXGKANEG-SNVBAGLBSA-N -1 0 348.447 3.548 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)c2ccc3cnccc3c2)s1 ZINC000580034005 1018321555 /nfs/dbraw/zinc/32/15/55/1018321555.db2.gz PHPYMMJDALAQNH-UHFFFAOYSA-N -1 0 326.425 3.664 20 0 EHADRM Cc1cc(-c2csc(NC(=O)[C@@H]3CC[C@H](C(=O)[O-])C3)n2)ccc1F ZINC000653297761 1018374785 /nfs/dbraw/zinc/37/47/85/1018374785.db2.gz AIPJUPJXFIIXPE-NEPJUHHUSA-N -1 0 348.399 3.697 20 0 EHADRM Cc1ccc(C)c(C(=O)N[C@H](C)[C@H]2CC3CCC2CC3)c1C(=O)[O-] ZINC000394209611 1018376686 /nfs/dbraw/zinc/37/66/86/1018376686.db2.gz ALLWFUULDHABST-PRLABOORSA-N -1 0 329.440 3.946 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1Cc1cc(-c2ccco2)on1 ZINC000584541491 1018541749 /nfs/dbraw/zinc/54/17/49/1018541749.db2.gz KMRLSCOLQXXWTF-ZBFHGGJFSA-N -1 0 344.411 3.790 20 0 EHADRM CCc1c([N-]S(=O)(=O)c2cc3ccccc3o2)cnn1CC(C)C ZINC000160389850 1018689862 /nfs/dbraw/zinc/68/98/62/1018689862.db2.gz ZHDQDNARKJKARP-UHFFFAOYSA-N -1 0 347.440 3.649 20 0 EHADRM Clc1scc(CN=c2[n-]ncn2Cc2ccccc2)c1Cl ZINC000580270917 1018900282 /nfs/dbraw/zinc/90/02/82/1018900282.db2.gz OWROSEGCBBFXLJ-UHFFFAOYSA-N -1 0 339.251 3.729 20 0 EHADRM C[C@@H]1CN(C(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)CC[C@H]1C(=O)[O-] ZINC000261751416 1018919795 /nfs/dbraw/zinc/91/97/95/1018919795.db2.gz UTRDMFJPVWWWFU-RPCUQHNUSA-N -1 0 333.472 3.552 20 0 EHADRM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2sc(C)nc2C)c1 ZINC000433490280 1019016627 /nfs/dbraw/zinc/01/66/27/1019016627.db2.gz HGYWPAVQGWWKRW-JTQLQIEISA-N -1 0 340.470 3.738 20 0 EHADRM CCc1cccc(S(=O)(=O)Nc2ccc3cnn(C(C)C)c3c2)c1 ZINC000433503664 1019024143 /nfs/dbraw/zinc/02/41/43/1019024143.db2.gz WIRVRATVEACJMX-UHFFFAOYSA-N -1 0 343.452 3.980 20 0 EHADRM CC[N@H+](Cc1cccc(Br)c1)Cc1ccc(C(=O)[O-])cn1 ZINC000580336155 1019079500 /nfs/dbraw/zinc/07/95/00/1019079500.db2.gz ALZGHLUYGLHLQT-UHFFFAOYSA-N -1 0 349.228 3.564 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2c(C)cccc2SC)C1 ZINC000926094561 1019097645 /nfs/dbraw/zinc/09/76/45/1019097645.db2.gz COMHEZDYXNFSDX-QGZVFWFLSA-N -1 0 336.457 3.826 20 0 EHADRM CCOC(=O)c1sc2ncncc2c1Nc1cccc([S-])c1 ZINC001210946102 1019099966 /nfs/dbraw/zinc/09/99/66/1019099966.db2.gz ATSQLRIMWGQLFU-UHFFFAOYSA-N -1 0 331.422 3.900 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N(Cc2ccccn2)C(C)C)s1 ZINC000602353033 1032807972 /nfs/dbraw/zinc/80/79/72/1032807972.db2.gz ZFATYQXQEBMOQW-UHFFFAOYSA-N -1 0 347.488 3.701 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2ccccc2Oc2ccccc2)CCC1 ZINC000327535839 1019126928 /nfs/dbraw/zinc/12/69/28/1019126928.db2.gz UJPPJJUDMISQLT-UHFFFAOYSA-N -1 0 340.379 3.855 20 0 EHADRM CCc1c(NC(=O)c2cc(F)cc(Cl)c2[O-])cnn1CC(C)C ZINC000129650860 1019143084 /nfs/dbraw/zinc/14/30/84/1019143084.db2.gz AKHDTVLQDRBIGM-UHFFFAOYSA-N -1 0 339.798 3.852 20 0 EHADRM O=C([O-])c1ccccc1Nc1ccc(OC[C@@H]2CCCO2)c(F)c1 ZINC001210967704 1019149963 /nfs/dbraw/zinc/14/99/63/1019149963.db2.gz SQWIOQJQTPAHBO-ZDUSSCGKSA-N -1 0 331.343 3.825 20 0 EHADRM CCc1csc(NC(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])n1 ZINC001626246733 1019232813 /nfs/dbraw/zinc/23/28/13/1019232813.db2.gz IOLMABJIUUUCSE-UHFFFAOYSA-N -1 0 342.376 3.736 20 0 EHADRM Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)c1ccc([O-])c(Cl)c1 ZINC000729238014 1019244728 /nfs/dbraw/zinc/24/47/28/1019244728.db2.gz QVPUBMMUMHWRRS-GFCCVEGCSA-N -1 0 347.798 3.846 20 0 EHADRM FC(F)(F)[C@@H](C[C@H]1CCCO1)[N-]c1nc(-c2ccccc2)no1 ZINC000656224448 1019419313 /nfs/dbraw/zinc/41/93/13/1019419313.db2.gz IVNHPERIFSJYHU-VXGBXAGGSA-N -1 0 327.306 3.649 20 0 EHADRM CCOC(=O)c1cnc(/C=C/c2cccc(OCC)c2)c(C(=O)[O-])c1 ZINC000513228343 1019426328 /nfs/dbraw/zinc/42/63/28/1019426328.db2.gz JLYJBJAWOIPZMD-CMDGGOBGSA-N -1 0 341.363 3.526 20 0 EHADRM FC(F)(F)[C@@H](C[C@H]1CCCO1)[N-]c1noc(-c2ccccc2)n1 ZINC000656228083 1019432708 /nfs/dbraw/zinc/43/27/08/1019432708.db2.gz OXFKHRZQTPXDPG-VXGBXAGGSA-N -1 0 327.306 3.649 20 0 EHADRM CCCCC1CCC(NC(=O)N=c2nc([C@@H](C)OC)[n-]s2)CC1 ZINC000580499997 1019498547 /nfs/dbraw/zinc/49/85/47/1019498547.db2.gz VSMPIXDVRRIIEX-PNESKVBLSA-N -1 0 340.493 3.538 20 0 EHADRM O=C([O-])[C@H]1CC[C@@H]1C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000262664366 1019698568 /nfs/dbraw/zinc/69/85/68/1019698568.db2.gz OANPNTXWTNOYJG-YUMQZZPRSA-N -1 0 349.786 3.747 20 0 EHADRM C[C@H]1CC[C@@]2(CCN(C(=O)N=c3nc(-c4ccccc4)[n-]s3)C2)C1 ZINC000513453287 1019701049 /nfs/dbraw/zinc/70/10/49/1019701049.db2.gz TXBMEZOLWJZKKC-SCLBCKFNSA-N -1 0 342.468 3.671 20 0 EHADRM C[C@]1(NC(=O)c2[nH]c3ccccc3c2Cl)CCCC[C@H]1C(=O)[O-] ZINC000262928179 1019767751 /nfs/dbraw/zinc/76/77/51/1019767751.db2.gz ZZIAKZRIPJYDSA-GTNSWQLSSA-N -1 0 334.803 3.585 20 0 EHADRM Cc1nc(-c2cccc(C(=O)N[C@](C)(CC(=O)[O-])C(C)C)c2)cs1 ZINC000262975760 1019783202 /nfs/dbraw/zinc/78/32/02/1019783202.db2.gz NALJFVWTDGPVRD-GOSISDBHSA-N -1 0 346.452 3.738 20 0 EHADRM COc1ccc2cc([C@@H](C)C(=O)NCCC(C)(C)C(=O)[O-])ccc2c1 ZINC000263016424 1019790688 /nfs/dbraw/zinc/79/06/88/1019790688.db2.gz NMJGHWSMQBDHBA-CYBMUJFWSA-N -1 0 343.423 3.569 20 0 EHADRM COCc1cc(NC(=O)c2scnc2C(C)(C)C)cc(C(=O)[O-])c1 ZINC000263139593 1019825629 /nfs/dbraw/zinc/82/56/29/1019825629.db2.gz VBNIWGMTDYNLFL-UHFFFAOYSA-N -1 0 348.424 3.538 20 0 EHADRM C[C@@H](CC(=O)Nc1cccc(CC(=O)[O-])c1)Cc1cccc(F)c1 ZINC000263156924 1019830321 /nfs/dbraw/zinc/83/03/21/1019830321.db2.gz NNJUECRRSGAYNY-CYBMUJFWSA-N -1 0 329.371 3.660 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N2CC[C@@](C(=O)[O-])(C(C)C)C2)cc1 ZINC000263152956 1019831983 /nfs/dbraw/zinc/83/19/83/1019831983.db2.gz ZFGBHILALKCJPC-QRWLVFNGSA-N -1 0 331.456 3.702 20 0 EHADRM Cc1nc(C(=O)N(C)[C@H](c2ccccc2)C(C)C)ccc1C(=O)[O-] ZINC000263352199 1019883639 /nfs/dbraw/zinc/88/36/39/1019883639.db2.gz QCHWSDMLGMGTLY-KRWDZBQOSA-N -1 0 326.396 3.558 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)C1 ZINC000580714109 1019891576 /nfs/dbraw/zinc/89/15/76/1019891576.db2.gz SKOIRPJEQIXSIR-NUDXDXSLSA-N -1 0 337.419 3.513 20 0 EHADRM CC(C)Cc1nc(=NC2(Cc3cccc(F)c3)CCOCC2)s[n-]1 ZINC000580726994 1019919374 /nfs/dbraw/zinc/91/93/74/1019919374.db2.gz BCAZMIKLVMKTIP-UHFFFAOYSA-N -1 0 349.475 3.501 20 0 EHADRM CC[C@@H](N=c1[n-]c(C(=O)OC)c(C)s1)c1cc(F)ccc1F ZINC000434077536 1019925672 /nfs/dbraw/zinc/92/56/72/1019925672.db2.gz SLNYIKFSGDXAPO-GFCCVEGCSA-N -1 0 326.368 3.501 20 0 EHADRM Cc1cc(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)ccc1OC(C)C ZINC000580882973 1020178087 /nfs/dbraw/zinc/17/80/87/1020178087.db2.gz WBFMPYSMBOECTO-AWEZNQCLSA-N -1 0 334.416 3.501 20 0 EHADRM Cc1cnc(Br)c(Nc2c(F)cc(C(=O)[O-])cc2F)c1 ZINC001215608369 1020436477 /nfs/dbraw/zinc/43/64/77/1020436477.db2.gz BBBJYCARHMTGPK-UHFFFAOYSA-N -1 0 343.127 3.873 20 0 EHADRM Cc1cc(Nc2c(F)cc(C(=O)[O-])cc2F)cnc1Br ZINC001215609569 1020437889 /nfs/dbraw/zinc/43/78/89/1020437889.db2.gz VJPDHAADCUPLSV-UHFFFAOYSA-N -1 0 343.127 3.873 20 0 EHADRM COc1c(F)cc(F)cc1[N-]S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000760364119 1032902326 /nfs/dbraw/zinc/90/23/26/1032902326.db2.gz IIFBEAFDASDOIM-VOTSOKGWSA-N -1 0 343.326 3.525 20 0 EHADRM O=C(Nc1cc(-c2ccccc2F)on1)c1c([O-])cc(F)cc1F ZINC000684153791 1020486784 /nfs/dbraw/zinc/48/67/84/1020486784.db2.gz JLNBTGJGWILNQZ-UHFFFAOYSA-N -1 0 334.253 3.717 20 0 EHADRM O=C(CCCc1ccc(O)c(F)c1)N1CCC[C@H]1[C@H]1CCCCC1=O ZINC000345770615 1020501297 /nfs/dbraw/zinc/50/12/97/1020501297.db2.gz HXNIFRCOIMPSQP-WBVHZDCISA-N -1 0 347.430 3.604 20 0 EHADRM O=C([O-])[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)CC1CCCC1 ZINC000345773801 1020502135 /nfs/dbraw/zinc/50/21/35/1020502135.db2.gz AWKYDSSIZKPUAC-CQSZACIVSA-N -1 0 344.238 3.686 20 0 EHADRM CC(C)C[C@H]1CCCN1C(=O)N=c1[n-]nc(-c2ccccc2)s1 ZINC000548154680 1020505624 /nfs/dbraw/zinc/50/56/24/1020505624.db2.gz FZSBBUWRBALJJM-CQSZACIVSA-N -1 0 330.457 3.669 20 0 EHADRM CC(C)(C)CC(=O)N[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000345837401 1020567378 /nfs/dbraw/zinc/56/73/78/1020567378.db2.gz ZLIXUTRDZXSBPM-LBPRGKRZSA-N -1 0 332.227 3.542 20 0 EHADRM Cc1ccc(C)c(CC(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000345901405 1020598049 /nfs/dbraw/zinc/59/80/49/1020598049.db2.gz HVNNRAIVIVBVCV-KRWDZBQOSA-N -1 0 345.826 3.832 20 0 EHADRM CCC[C@H](CC(C)C)C(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)ccc1C ZINC000581262712 1020602197 /nfs/dbraw/zinc/60/21/97/1020602197.db2.gz QXCKMJWRHNKYEI-CQSZACIVSA-N -1 0 330.432 3.887 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)C/C=C\c1cccc(F)c1 ZINC000345909357 1020604604 /nfs/dbraw/zinc/60/46/04/1020604604.db2.gz OKXMMTVNVQVDEY-GNJLHFKMSA-N -1 0 341.382 3.870 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)C/C=C\c1cccc(F)c1 ZINC000345909358 1020604746 /nfs/dbraw/zinc/60/47/46/1020604746.db2.gz OKXMMTVNVQVDEY-MTIYJEKLSA-N -1 0 341.382 3.870 20 0 EHADRM O=C(NCc1ccc(-c2cnco2)cc1)c1cc(O)ccc1Cl ZINC001143390906 1020637573 /nfs/dbraw/zinc/63/75/73/1020637573.db2.gz YMIFWXMNZZNEEX-UHFFFAOYSA-N -1 0 328.755 3.631 20 0 EHADRM O=C([O-])c1ccc2c(c1)[C@H](CNC(=O)C1CC3(CCC3)C1)CCC2 ZINC000656474773 1020690270 /nfs/dbraw/zinc/69/02/70/1020690270.db2.gz JIKMLJCMBUVBDI-HNNXBMFYSA-N -1 0 327.424 3.501 20 0 EHADRM CC[C@H](NC(=O)Cc1nc(=O)c2sc(C)cc2[n-]1)c1ccccc1 ZINC000656490386 1020713364 /nfs/dbraw/zinc/71/33/64/1020713364.db2.gz BRPIXHVDNOQAJV-ZDUSSCGKSA-N -1 0 341.436 3.515 20 0 EHADRM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1O ZINC000581407799 1020814346 /nfs/dbraw/zinc/81/43/46/1020814346.db2.gz FDWJEVGWIHRLKF-UHFFFAOYSA-N -1 0 341.388 3.549 20 0 EHADRM CCOC(=O)c1ncc(Nc2ccc(C(=O)[O-])cc2C)cc1Cl ZINC001211620761 1032941997 /nfs/dbraw/zinc/94/19/97/1032941997.db2.gz FIJDPFZQVYCNHD-UHFFFAOYSA-N -1 0 334.759 3.662 20 0 EHADRM CC[C@@H](NC(=O)N([C@H](C)C(=O)[O-])C1CCC1)c1cccc(Cl)c1 ZINC000581465880 1020936931 /nfs/dbraw/zinc/93/69/31/1020936931.db2.gz MTTMWYGQSZYMJG-IAQYHMDHSA-N -1 0 338.835 3.828 20 0 EHADRM CCCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cnn(CC)c1 ZINC000276310090 1021015478 /nfs/dbraw/zinc/01/54/78/1021015478.db2.gz VRVPRYMNNXGUBG-UHFFFAOYSA-N -1 0 335.473 3.780 20 0 EHADRM CO[C@H](CS(=O)(=O)[N-]c1cccc2cccnc21)C1CCCCC1 ZINC000656615144 1021032492 /nfs/dbraw/zinc/03/24/92/1021032492.db2.gz ACAYJJOAZNVSDF-QGZVFWFLSA-N -1 0 348.468 3.572 20 0 EHADRM CCCN(C[C@@H]1CCCCO1)C(=O)c1ccc(C(F)(F)F)cc1O ZINC000436778821 1021207296 /nfs/dbraw/zinc/20/72/96/1021207296.db2.gz TWMRYASRCLNQLS-ZDUSSCGKSA-N -1 0 345.361 3.832 20 0 EHADRM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2cc(C(C)C)on2)c1 ZINC000656729349 1021214051 /nfs/dbraw/zinc/21/40/51/1021214051.db2.gz YMWAAXWGBNGZOP-GFCCVEGCSA-N -1 0 338.429 3.776 20 0 EHADRM CCn1ncc2ccc(NC(=O)c3cc(F)cc(Cl)c3[O-])cc21 ZINC000436782645 1021223051 /nfs/dbraw/zinc/22/30/51/1021223051.db2.gz OMOTXVFEJJBGDZ-UHFFFAOYSA-N -1 0 333.750 3.807 20 0 EHADRM COc1cc(NC(=O)c2ccc([O-])c(Cl)c2)cc2cccnc21 ZINC000436856717 1021282468 /nfs/dbraw/zinc/28/24/68/1021282468.db2.gz NHDGATWDCSOIAH-UHFFFAOYSA-N -1 0 328.755 3.855 20 0 EHADRM CN(CC[C@@H]1CCCO1)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436840224 1021282959 /nfs/dbraw/zinc/28/29/59/1021282959.db2.gz OPUHJDJDDQYUNJ-LBPRGKRZSA-N -1 0 333.815 3.840 20 0 EHADRM O=C(N[C@H]1CCCc2occc21)c1cc(Br)ccc1O ZINC000436840906 1021284324 /nfs/dbraw/zinc/28/43/24/1021284324.db2.gz XWBJIPBBKUZEAW-LBPRGKRZSA-N -1 0 336.185 3.555 20 0 EHADRM CC(C)C[C@H]1CCN(C(=O)c2cc(F)cc(Br)c2[O-])C1 ZINC000436852941 1021295596 /nfs/dbraw/zinc/29/55/96/1021295596.db2.gz QFVKFHSGMGNQBV-SNVBAGLBSA-N -1 0 344.224 3.802 20 0 EHADRM COc1ccc(NC(=O)c2cc(F)cc(Br)c2[O-])cc1 ZINC000436851594 1021295745 /nfs/dbraw/zinc/29/57/45/1021295745.db2.gz MIDHURKVWOHIRE-UHFFFAOYSA-N -1 0 340.148 3.555 20 0 EHADRM CC1(C)CO[C@H](c2cccc(Cl)c2)CN1CC1(CC(=O)[O-])CC1 ZINC000656765461 1021297464 /nfs/dbraw/zinc/29/74/64/1021297464.db2.gz MGVFYBKBYXWQSV-HNNXBMFYSA-N -1 0 337.847 3.747 20 0 EHADRM Cc1cc(C)nc(NC(=O)c2cc(F)cc(Br)c2[O-])c1 ZINC000436864283 1021301020 /nfs/dbraw/zinc/30/10/20/1021301020.db2.gz NEHPUTSDDDUNOK-UHFFFAOYSA-N -1 0 339.164 3.558 20 0 EHADRM O=C(Nc1ccc(OC(F)F)cn1)c1c([O-])cc(Cl)cc1Cl ZINC000436858969 1021321820 /nfs/dbraw/zinc/32/18/20/1021321820.db2.gz IYJIHYRCTJHGJP-UHFFFAOYSA-N -1 0 349.120 3.948 20 0 EHADRM Cc1cncc(-c2noc(-c3ccc(Br)cc3[O-])n2)c1 ZINC000436892197 1021342582 /nfs/dbraw/zinc/34/25/82/1021342582.db2.gz IPCPWAYXNPANEJ-UHFFFAOYSA-N -1 0 332.157 3.575 20 0 EHADRM Cc1cccc(NC(=O)c2cc(Br)cc(Cl)c2[O-])n1 ZINC000436910927 1021355981 /nfs/dbraw/zinc/35/59/81/1021355981.db2.gz PBSWGWNJAMUDCM-UHFFFAOYSA-N -1 0 341.592 3.764 20 0 EHADRM CC(C)c1ccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000107327898 1032973723 /nfs/dbraw/zinc/97/37/23/1032973723.db2.gz NRHAJTPJXQHFDQ-QGZVFWFLSA-N -1 0 326.396 3.627 20 0 EHADRM COc1ccc(O)c(-c2nc(-c3cccc(OC(C)C)c3)no2)c1 ZINC000436915060 1021370915 /nfs/dbraw/zinc/37/09/15/1021370915.db2.gz OIFCFBHONACIJW-UHFFFAOYSA-N -1 0 326.352 3.905 20 0 EHADRM CSc1ccc(F)cc1CNC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436927041 1021387789 /nfs/dbraw/zinc/38/77/89/1021387789.db2.gz NWTFYQGZZDFADC-UHFFFAOYSA-N -1 0 343.782 3.976 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)C)c1 ZINC000581668973 1021397700 /nfs/dbraw/zinc/39/77/00/1021397700.db2.gz XWKUGONCUMTUGG-INIZCTEOSA-N -1 0 349.427 3.537 20 0 EHADRM CC1(C)CN(C(=O)c2cc(F)c([O-])c(Cl)c2)Cc2ccccc2O1 ZINC000436939582 1021400952 /nfs/dbraw/zinc/40/09/52/1021400952.db2.gz OVPGVSJHEQWJDS-UHFFFAOYSA-N -1 0 349.789 3.998 20 0 EHADRM COc1cc2nc(C)sc2cc1NC(=O)c1c([O-])cccc1F ZINC000436944438 1021405910 /nfs/dbraw/zinc/40/59/10/1021405910.db2.gz QAWMUTADUXXAGX-UHFFFAOYSA-N -1 0 332.356 3.710 20 0 EHADRM CCC(CC)[C@@H](CCNC(=O)c1cc(F)c([O-])c(Cl)c1)OC ZINC000436962255 1021409592 /nfs/dbraw/zinc/40/95/92/1021409592.db2.gz JBDTZKLMRXWZPM-CQSZACIVSA-N -1 0 331.815 3.756 20 0 EHADRM COc1ccc(C(=O)Nc2ccc3cn(C(C)C)nc3c2)c(O)c1 ZINC000436957105 1021421231 /nfs/dbraw/zinc/42/12/31/1021421231.db2.gz VTFWPJTTYKJZTA-UHFFFAOYSA-N -1 0 325.368 3.584 20 0 EHADRM CC(C)(C)Cc1csc(NC(=O)c2cc(F)c([O-])c(F)c2)n1 ZINC000436969639 1021425627 /nfs/dbraw/zinc/42/56/27/1021425627.db2.gz ZOIZQRTUJLCFMB-UHFFFAOYSA-N -1 0 326.368 3.968 20 0 EHADRM Cc1ccc(-c2nsc(NC(=O)c3c([O-])cccc3F)n2)s1 ZINC000436989243 1021444261 /nfs/dbraw/zinc/44/42/61/1021444261.db2.gz NNPKBJMOPRDXLI-UHFFFAOYSA-N -1 0 335.385 3.672 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C[C@@H](C2CC2)O1 ZINC000436983727 1021454879 /nfs/dbraw/zinc/45/48/79/1021454879.db2.gz KXMAYUWFCPCITG-DIFFPNOSSA-N -1 0 345.826 3.838 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3CCC[C@@H](C(=O)[O-])C3)c(C)c2)o1 ZINC000581677448 1021463638 /nfs/dbraw/zinc/46/36/38/1021463638.db2.gz BCSAGBFELJMQBR-OAHLLOKOSA-N -1 0 327.380 3.500 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)NCc1sccc1C ZINC000516529627 1021517896 /nfs/dbraw/zinc/51/78/96/1021517896.db2.gz PRKNKQJKTZMGKQ-HNNXBMFYSA-N -1 0 346.452 3.804 20 0 EHADRM CCCn1ccc2ccc(NC(=O)N3CC[C@H](C)C[C@@H]3C(=O)[O-])cc21 ZINC000516531910 1021518523 /nfs/dbraw/zinc/51/85/23/1021518523.db2.gz VSJZXQSAEJTVQD-SUMWQHHRSA-N -1 0 343.427 3.768 20 0 EHADRM C[C@H]1CCCC[C@H]1CC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000518761627 1021525327 /nfs/dbraw/zinc/52/53/27/1021525327.db2.gz SABVBWAFMTUWAV-RYUDHWBXSA-N -1 0 333.457 3.572 20 0 EHADRM CC(C)[C@H]1C[C@@H](N=c2[n-]c(C3CCOCC3)no2)c2ccccc21 ZINC000519629914 1021583913 /nfs/dbraw/zinc/58/39/13/1021583913.db2.gz ISXZNSOENCKDDY-IAGOWNOFSA-N -1 0 327.428 3.682 20 0 EHADRM O=S(=O)([N-]c1cccc(F)c1)c1ccccc1OC(F)(F)F ZINC000142054623 1021617223 /nfs/dbraw/zinc/61/72/23/1021617223.db2.gz JHQLVNQXEHISBJ-UHFFFAOYSA-N -1 0 335.278 3.525 20 0 EHADRM C[C@@H](NC(=O)N=c1nc(-c2ccccc2)[n-]s1)C1CCCCC1 ZINC000440588046 1021641957 /nfs/dbraw/zinc/64/19/57/1021641957.db2.gz KWLYFLYKYXXWLV-GFCCVEGCSA-N -1 0 330.457 3.717 20 0 EHADRM CC1(C)CC[C@H](CNC(=O)CC2(C(=O)[O-])CCC2)c2ccccc21 ZINC000439720176 1021670298 /nfs/dbraw/zinc/67/02/98/1021670298.db2.gz PSFMQBSGVDVJJP-CQSZACIVSA-N -1 0 329.440 3.603 20 0 EHADRM Cc1nc(-c2ccc(CN=c3[n-]nc(C(F)F)o3)s2)cs1 ZINC000519803061 1021692616 /nfs/dbraw/zinc/69/26/16/1021692616.db2.gz LOBOIPILNZMHMC-UHFFFAOYSA-N -1 0 328.369 3.535 20 0 EHADRM Cc1ccc(NC(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])cc1 ZINC000519802730 1021692719 /nfs/dbraw/zinc/69/27/19/1021692719.db2.gz GNQFOBSTGUNLJL-WBVHZDCISA-N -1 0 330.428 3.882 20 0 EHADRM O=S(=O)([N-]c1cnccc1-c1cccc(F)c1)c1ccccc1F ZINC000439875948 1021785437 /nfs/dbraw/zinc/78/54/37/1021785437.db2.gz FRUCJUMSANMJGD-UHFFFAOYSA-N -1 0 346.358 3.828 20 0 EHADRM CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(Br)c(F)cc1[O-] ZINC001141540385 1021796334 /nfs/dbraw/zinc/79/63/34/1021796334.db2.gz LIYQDMZYIWJZAR-ZANVPECISA-N -1 0 344.224 3.992 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cnn1CCC(C)C ZINC000440827335 1021805762 /nfs/dbraw/zinc/80/57/62/1021805762.db2.gz XUXZQTVCFIEBBX-UHFFFAOYSA-N -1 0 349.500 3.964 20 0 EHADRM Cc1noc(C)c1NC(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000140923410 1033009292 /nfs/dbraw/zinc/00/92/92/1033009292.db2.gz HAZYIJHCUIUESL-UHFFFAOYSA-N -1 0 330.315 3.855 20 0 EHADRM CCCC[C@@H]1CCC[C@H]1NC(=O)CSc1n[n-]c(=S)s1 ZINC000175116170 1123598083 /nfs/dbraw/zinc/59/80/83/1123598083.db2.gz XKGCXZQRFKADIX-NXEZZACHSA-N -1 0 331.532 3.768 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000516929697 1021860434 /nfs/dbraw/zinc/86/04/34/1021860434.db2.gz LHVWODAWYJCXCT-RYKRPPSOSA-N -1 0 329.440 3.672 20 0 EHADRM COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)[C@H](C)C(=O)[O-])cc1 ZINC000516926719 1021860535 /nfs/dbraw/zinc/86/05/35/1021860535.db2.gz IMHNWPNKBRMARN-UONOGXRCSA-N -1 0 341.407 3.602 20 0 EHADRM Cc1n[n-]c(=NC(=O)N2CCCCC[C@@H]2/C=C\c2ccccc2)s1 ZINC000440922906 1021872375 /nfs/dbraw/zinc/87/23/75/1021872375.db2.gz ZQGRBHDDIBYVJC-YUQCYMQKSA-N -1 0 342.468 3.758 20 0 EHADRM CCCOc1ccc(CN=c2[n-]c(C(C)C)no2)c(OC(F)F)c1 ZINC000471737059 1021904242 /nfs/dbraw/zinc/90/42/42/1021904242.db2.gz OGOIZZYNHLDXPN-UHFFFAOYSA-N -1 0 341.358 3.617 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N2Cc3ccccc3C[C@H]2C)s1 ZINC000437576874 1021961690 /nfs/dbraw/zinc/96/16/90/1021961690.db2.gz IWRHIJPYBIJGMU-CYBMUJFWSA-N -1 0 344.484 3.671 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1ccccc1OC(F)F ZINC000188266498 1021977701 /nfs/dbraw/zinc/97/77/01/1021977701.db2.gz PRKQHNLFEHGTJI-UHFFFAOYSA-N -1 0 345.392 3.811 20 0 EHADRM CCCc1n[n-]c(=NC(=O)NCc2ccc(C(C)(C)C)cc2)s1 ZINC000520174382 1022000771 /nfs/dbraw/zinc/00/07/71/1022000771.db2.gz GZBHAMHAJKPLGK-UHFFFAOYSA-N -1 0 332.473 3.532 20 0 EHADRM O=S(=O)([N-]c1ccccc1N1CCc2ccccc21)c1ccco1 ZINC000437666876 1022052426 /nfs/dbraw/zinc/05/24/26/1022052426.db2.gz MXXYIDVTVLRNHT-UHFFFAOYSA-N -1 0 340.404 3.775 20 0 EHADRM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccccc1N(C)C(C)C ZINC000517145947 1022069785 /nfs/dbraw/zinc/06/97/85/1022069785.db2.gz TUUKMUKPKUFKTP-UHFFFAOYSA-N -1 0 348.468 3.649 20 0 EHADRM Cc1ccc(C)c([N-]S(=O)(=O)c2cccc3c(C)ccnc32)c1 ZINC000548283308 1022072926 /nfs/dbraw/zinc/07/29/26/1022072926.db2.gz IYJAVYMTKONEAS-UHFFFAOYSA-N -1 0 326.421 3.961 20 0 EHADRM Cc1ccc(Sc2nc(=NC(=O)c3ccc(F)cc3)s[n-]2)cc1 ZINC000440309564 1022080369 /nfs/dbraw/zinc/08/03/69/1022080369.db2.gz BGTPUMQDBBMTKZ-UHFFFAOYSA-N -1 0 345.424 3.811 20 0 EHADRM Cc1ccc(-c2ccc(CNCc3ccc(C(=O)[O-])c(C)n3)o2)cc1 ZINC000426635222 1022116277 /nfs/dbraw/zinc/11/62/77/1022116277.db2.gz VVGXJIVGNPOHPI-UHFFFAOYSA-N -1 0 336.391 3.946 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1cccc(OC(F)F)c1 ZINC000188372623 1022128995 /nfs/dbraw/zinc/12/89/95/1022128995.db2.gz HEASKNLHJJUPSN-UHFFFAOYSA-N -1 0 345.392 3.811 20 0 EHADRM Cc1sc(NC(=O)c2ncccc2[O-])nc1-c1ccc(F)cc1 ZINC000426647691 1022132618 /nfs/dbraw/zinc/13/26/18/1022132618.db2.gz ONKKUHYLVYCBMY-UHFFFAOYSA-N -1 0 329.356 3.611 20 0 EHADRM CC(C)[C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c2ccccc21 ZINC000517376611 1022294060 /nfs/dbraw/zinc/29/40/60/1022294060.db2.gz CKKKTERYPBEAEE-LBTBCDHLSA-N -1 0 329.440 3.878 20 0 EHADRM Cc1cccc2sc(C(=O)NC[C@H](C(=O)[O-])C(C)C)c(Cl)c21 ZINC000655570956 1022314264 /nfs/dbraw/zinc/31/42/64/1022314264.db2.gz KLJCOSIXMXDIPD-JTQLQIEISA-N -1 0 339.844 3.950 20 0 EHADRM CC(C)[C@@H]1N(C(=O)N=c2ncn(C3CCCCC3)[n-]2)CC12CCCC2 ZINC000333860521 1022340422 /nfs/dbraw/zinc/34/04/22/1022340422.db2.gz RPEDGKVBEKJXMK-INIZCTEOSA-N -1 0 345.491 3.638 20 0 EHADRM CC(C)c1csc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)n1 ZINC000302815082 1022354214 /nfs/dbraw/zinc/35/42/14/1022354214.db2.gz ZNJQTSUAZVSIDP-UHFFFAOYSA-N -1 0 336.482 3.946 20 0 EHADRM Cc1cc(Br)cc(C)c1[N-]S(=O)(=O)c1cccs1 ZINC000048655328 1022366646 /nfs/dbraw/zinc/36/66/46/1022366646.db2.gz UNVSMLPWEQOPKY-UHFFFAOYSA-N -1 0 346.271 3.928 20 0 EHADRM COc1ccc(NC(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)cc1F ZINC000237159915 1022406161 /nfs/dbraw/zinc/40/61/61/1022406161.db2.gz CLZUWIDUJJLDLF-SFHVURJKSA-N -1 0 337.391 3.834 20 0 EHADRM CCc1[nH]nc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c1C ZINC000438236154 1022480773 /nfs/dbraw/zinc/48/07/73/1022480773.db2.gz XSKZACFXBAQFKL-UHFFFAOYSA-N -1 0 341.436 3.748 20 0 EHADRM Cc1ccnc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000517607292 1022482147 /nfs/dbraw/zinc/48/21/47/1022482147.db2.gz LYYKQYLWYBIGRN-UHFFFAOYSA-N -1 0 336.416 3.762 20 0 EHADRM COc1cc(NC2CCC(C(=O)[O-])CC2)ccc1Br ZINC000261599409 1022528766 /nfs/dbraw/zinc/52/87/66/1022528766.db2.gz PORLCWKTEVTQIP-UHFFFAOYSA-N -1 0 328.206 3.513 20 0 EHADRM CN(C)c1cccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)c1 ZINC000476221089 1033061739 /nfs/dbraw/zinc/06/17/39/1033061739.db2.gz RVIMLNDIDXNNRM-UHFFFAOYSA-N -1 0 344.358 3.572 20 0 EHADRM CC(C)(C)c1ncc(CN[C@@]2(C(=O)[O-])CCc3c2cccc3F)s1 ZINC000340684809 1022592180 /nfs/dbraw/zinc/59/21/80/1022592180.db2.gz VGWRGERMLJVMGB-SFHVURJKSA-N -1 0 348.443 3.596 20 0 EHADRM CN(Cc1ccccc1Cl)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000330632656 1022635996 /nfs/dbraw/zinc/63/59/96/1022635996.db2.gz IRGLAQFSZAKFSN-UHFFFAOYSA-N -1 0 338.864 3.575 20 0 EHADRM Cc1cc(S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F)sc1Cl ZINC000473757433 1022690746 /nfs/dbraw/zinc/69/07/46/1022690746.db2.gz GCSAFFYYSFIBBN-QMMMGPOBSA-N -1 0 335.800 3.575 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)c2cc(C)c(Cl)s2)n1 ZINC000473767741 1022695213 /nfs/dbraw/zinc/69/52/13/1022695213.db2.gz SQMXZZZCBKYGJL-UHFFFAOYSA-N -1 0 336.891 3.920 20 0 EHADRM CCc1nc(C)c([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)s1 ZINC000331102144 1022742662 /nfs/dbraw/zinc/74/26/62/1022742662.db2.gz CQFNUPJLFBUZRV-UHFFFAOYSA-N -1 0 330.862 3.777 20 0 EHADRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C)cc2Cl)c1C ZINC000331126733 1022750375 /nfs/dbraw/zinc/75/03/75/1022750375.db2.gz ZCDSMACSCWDFDT-NSHDSACASA-N -1 0 341.864 3.925 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000391781090 1022761349 /nfs/dbraw/zinc/76/13/49/1022761349.db2.gz ONIIUDODDHPPRM-SWLSCSKDSA-N -1 0 327.380 3.981 20 0 EHADRM CSCC1(CC(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)CC1 ZINC000593920043 1033078762 /nfs/dbraw/zinc/07/87/62/1033078762.db2.gz IPPNYHXZPPPDNU-UHFFFAOYSA-N -1 0 347.480 3.624 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)ccc1F ZINC000188574199 1022830607 /nfs/dbraw/zinc/83/06/07/1022830607.db2.gz PSTGHLWTNJRYFN-UHFFFAOYSA-N -1 0 349.305 3.654 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)N[C@@H](C)CCC2CC2)s[n-]1 ZINC000473817684 1022879127 /nfs/dbraw/zinc/87/91/27/1022879127.db2.gz AMYZKOZQSGSRHO-JTQLQIEISA-N -1 0 336.486 3.697 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000517961488 1022887303 /nfs/dbraw/zinc/88/73/03/1022887303.db2.gz QCDZNBMVDVXQCZ-QLJPJBMISA-N -1 0 327.371 3.669 20 0 EHADRM CCOc1cc(-c2noc([C@H]3CC[C@@H](OC)C3)n2)cc(Cl)c1O ZINC000664846588 1022919067 /nfs/dbraw/zinc/91/90/67/1022919067.db2.gz RGNCRARTTLZYGM-GXSJLCMTSA-N -1 0 338.791 3.777 20 0 EHADRM CC1(c2cc([N-]S(=O)(=O)c3c(F)cccc3F)no2)CCCC1 ZINC000518056618 1022959937 /nfs/dbraw/zinc/95/99/37/1022959937.db2.gz XWZNQPGCUMFKBC-UHFFFAOYSA-N -1 0 342.367 3.585 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)cc1O ZINC000438773780 1022987404 /nfs/dbraw/zinc/98/74/04/1022987404.db2.gz CWTQXHCFGNNNPE-UHFFFAOYSA-N -1 0 346.433 3.625 20 0 EHADRM COc1ccccc1[C@H](CC(C)C)N=c1nc([C@@H](C)OC)[n-]s1 ZINC000509551051 1023028165 /nfs/dbraw/zinc/02/81/65/1023028165.db2.gz CFUOERFUNUXEEO-OCCSQVGLSA-N -1 0 335.473 3.875 20 0 EHADRM COCCOc1cccc(-c2ccc(SCCC(=O)[O-])cc2)c1 ZINC000574413524 1033095937 /nfs/dbraw/zinc/09/59/37/1033095937.db2.gz JBAANRGGXLBZQT-UHFFFAOYSA-N -1 0 332.421 3.946 20 0 EHADRM CCc1ccc([C@H](NCc2nc3c(s2)C[C@@H](C)CC3)C(=O)[O-])cc1 ZINC000426812825 1023061129 /nfs/dbraw/zinc/06/11/29/1023061129.db2.gz SEEGPQHUKUJAFF-SGTLLEGYSA-N -1 0 344.480 3.746 20 0 EHADRM O=C([O-])[C@@H](NCc1ncc(-c2ccccc2)s1)c1cccc(F)c1 ZINC000426810753 1023061368 /nfs/dbraw/zinc/06/13/68/1023061368.db2.gz JSPCDKQURWYLSK-KRWDZBQOSA-N -1 0 342.395 3.865 20 0 EHADRM C[C@H]1CN(C(=O)/C=C/c2c(Cl)cccc2Cl)CC[C@@H]1C(=O)[O-] ZINC000294589216 1023064881 /nfs/dbraw/zinc/06/48/81/1023064881.db2.gz RQLBOFACJZHRDV-PZIAFJOJSA-N -1 0 342.222 3.576 20 0 EHADRM COc1ccc2cc(CN[C@H](C(=O)[O-])c3cccs3)ccc2c1 ZINC000426820440 1023067235 /nfs/dbraw/zinc/06/72/35/1023067235.db2.gz LGFOMHPGQLOLDM-KRWDZBQOSA-N -1 0 327.405 3.825 20 0 EHADRM COc1ccc2cc(CN[C@@H](C(=O)[O-])c3cccs3)ccc2c1 ZINC000426820441 1023067932 /nfs/dbraw/zinc/06/79/32/1023067932.db2.gz LGFOMHPGQLOLDM-QGZVFWFLSA-N -1 0 327.405 3.825 20 0 EHADRM FC(F)(F)c1ccccc1[C@H]1C[C@H]1N=c1nc(C2CC2)[n-]s1 ZINC000426904696 1023107169 /nfs/dbraw/zinc/10/71/69/1023107169.db2.gz JFSGNWRHSVMTAN-ZYHUDNBSSA-N -1 0 325.359 3.824 20 0 EHADRM COC(=O)c1cccc(-c2noc(-c3ccc([O-])c(Cl)c3)n2)c1 ZINC000189936894 1023136125 /nfs/dbraw/zinc/13/61/25/1023136125.db2.gz CNHWNTVKHWIBOD-UHFFFAOYSA-N -1 0 330.727 3.549 20 0 EHADRM CCN(C)C(=O)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-] ZINC000438942843 1023173473 /nfs/dbraw/zinc/17/34/73/1023173473.db2.gz LTVZPHFLVLPLKO-UHFFFAOYSA-N -1 0 348.617 3.630 20 0 EHADRM COc1cc(Cl)c(/C=C/c2cc(C(=O)[O-])ncn2)cc1Cl ZINC000536391414 1023184792 /nfs/dbraw/zinc/18/47/92/1023184792.db2.gz SEMIZRFGICUHNR-NSCUHMNNSA-N -1 0 325.151 3.661 20 0 EHADRM O=S(=O)([N-]c1noc2ccccc21)c1ccc2c(c1)CCCC2 ZINC000438983511 1023193445 /nfs/dbraw/zinc/19/34/45/1023193445.db2.gz HGMLMAJPYNDNEU-UHFFFAOYSA-N -1 0 328.393 3.507 20 0 EHADRM CCc1ccc(C(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)c(O)c1 ZINC000190360736 1023194572 /nfs/dbraw/zinc/19/45/72/1023194572.db2.gz BGZLBXKUQMFQET-KUHUBIRLSA-N -1 0 325.408 3.557 20 0 EHADRM CCc1n[n-]c(=NC(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)s1 ZINC000431077336 1023228111 /nfs/dbraw/zinc/22/81/11/1023228111.db2.gz NVHGXDNGBHZKTR-OAHLLOKOSA-N -1 0 342.468 3.596 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCC1(c2ccccc2)CCCCCC1 ZINC000507342980 1023255501 /nfs/dbraw/zinc/25/55/01/1023255501.db2.gz UMEYDJUGBQDPEI-DLBZAZTESA-N -1 0 329.440 3.506 20 0 EHADRM O=C([O-])C1(CC(=O)NCc2cc3c(s2)CCCC3)CCCCC1 ZINC000614570874 1023298196 /nfs/dbraw/zinc/29/81/96/1023298196.db2.gz RUKSSNZVHJMRKT-UHFFFAOYSA-N -1 0 335.469 3.668 20 0 EHADRM CCOc1ccc(C2=CCN(C(=O)c3ccc(F)cc3[O-])CC2)cc1 ZINC000091930839 1023329939 /nfs/dbraw/zinc/32/99/39/1023329939.db2.gz RGLRZCCFQWDBFQ-UHFFFAOYSA-N -1 0 341.382 3.860 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCC(OCC2CCCCC2)CC1 ZINC000548452710 1023333652 /nfs/dbraw/zinc/33/36/52/1023333652.db2.gz RKLNNWHYYWYURB-UHFFFAOYSA-N -1 0 335.419 3.733 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@H](C)CCc2ccccc2F)c1 ZINC000476318310 1033132557 /nfs/dbraw/zinc/13/25/57/1033132557.db2.gz DPHUUPZVUMYWPA-GFCCVEGCSA-N -1 0 329.371 3.941 20 0 EHADRM CC[C@](C)([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(F)(F)F ZINC000548476548 1023442311 /nfs/dbraw/zinc/44/23/11/1023442311.db2.gz LOQBXDQFGSCHJL-JTQLQIEISA-N -1 0 349.296 3.715 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3C[C@H](C)C[C@H](C)C3)n2)cc1 ZINC000607434660 1033139993 /nfs/dbraw/zinc/13/99/93/1033139993.db2.gz IPDSFQRWHUEATR-GASCZTMLSA-N -1 0 341.455 3.819 20 0 EHADRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccccc2F)c1C1CC1 ZINC000535685810 1023564041 /nfs/dbraw/zinc/56/40/41/1023564041.db2.gz MLTVOJONVGWDOJ-LLVKDONJSA-N -1 0 337.420 3.671 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C(F)F)c1Cl ZINC000684599536 1023649925 /nfs/dbraw/zinc/64/99/25/1023649925.db2.gz NGBRNIDFEAFRBJ-UHFFFAOYSA-N -1 0 332.199 3.624 20 0 EHADRM CCOc1cc(CNCc2cc(C(=O)[O-])co2)ccc1OCC(C)C ZINC000277069112 1023735649 /nfs/dbraw/zinc/73/56/49/1023735649.db2.gz VIOUMRYRRVQPIB-UHFFFAOYSA-N -1 0 347.411 3.701 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000909505704 1023962314 /nfs/dbraw/zinc/96/23/14/1023962314.db2.gz ZOIWVEOYGGORNF-FUWURINLSA-N -1 0 344.436 3.739 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)c1cc(-c2ccccn2)ccc1Cl ZINC000190717428 1023962744 /nfs/dbraw/zinc/96/27/44/1023962744.db2.gz UCLLZWORZQXHHQ-UHFFFAOYSA-N -1 0 346.814 3.585 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2csc(-c3ccccn3)n2)c1 ZINC000351221758 1023964317 /nfs/dbraw/zinc/96/43/17/1023964317.db2.gz KLJKPSRRPZLPOH-UHFFFAOYSA-N -1 0 345.449 3.568 20 0 EHADRM Cc1c(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)cnn1C(C)C ZINC000190738193 1023964667 /nfs/dbraw/zinc/96/46/67/1023964667.db2.gz CTDAFHOXVJUKTR-UHFFFAOYSA-N -1 0 345.399 3.510 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2scnc2C2CCCC2)cc1 ZINC000909506469 1023983330 /nfs/dbraw/zinc/98/33/30/1023983330.db2.gz NWCYSECNOWMAJR-UHFFFAOYSA-N -1 0 330.409 3.680 20 0 EHADRM F[C@@H](CSc1n[n-]c(=NC2CCCCC2)s1)C(F)(F)F ZINC000443472675 1024020240 /nfs/dbraw/zinc/02/02/40/1024020240.db2.gz DAUFCUBLVMCRQS-QMMMGPOBSA-N -1 0 329.388 3.697 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)Cc2ccc(SC3CC3)cc2)cc1 ZINC000909507585 1024029756 /nfs/dbraw/zinc/02/97/56/1024029756.db2.gz WDRKPMRYYPUTSH-UHFFFAOYSA-N -1 0 341.432 3.749 20 0 EHADRM CCOc1ccc(NC(=O)[C@@](C)(CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000634814742 1024033135 /nfs/dbraw/zinc/03/31/35/1024033135.db2.gz IMWSVVPPJMEHFN-IBGZPJMESA-N -1 0 345.370 3.596 20 0 EHADRM CCOc1ccc(NC(=O)[C@](C)(CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000634814743 1024033745 /nfs/dbraw/zinc/03/37/45/1024033745.db2.gz IMWSVVPPJMEHFN-LJQANCHMSA-N -1 0 345.370 3.596 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)NC[C@@H](C)CC(=O)[O-] ZINC000191216240 1024058305 /nfs/dbraw/zinc/05/83/05/1024058305.db2.gz KANZUKBESRUMMM-NSHDSACASA-N -1 0 325.364 3.735 20 0 EHADRM CCOc1ccc(-c2ccc(F)c(C(=O)[O-])c2OC)cc1OCC ZINC000657203939 1024084481 /nfs/dbraw/zinc/08/44/81/1024084481.db2.gz PKLHSISNDSOVBE-UHFFFAOYSA-N -1 0 334.343 3.997 20 0 EHADRM O=C([O-])CCc1ccc(-c2cc(F)ccc2OC[C@@H]2CCOC2)cc1 ZINC000657204219 1024086796 /nfs/dbraw/zinc/08/67/96/1024086796.db2.gz AAIRCOOGYWWXJT-OAHLLOKOSA-N -1 0 344.382 3.925 20 0 EHADRM C[C@H](c1ccccc1)N(C)C(=O)c1ccc(Br)cc1O ZINC000093908195 1024099430 /nfs/dbraw/zinc/09/94/30/1024099430.db2.gz HEMVSNXZBXLZDV-LLVKDONJSA-N -1 0 334.213 3.988 20 0 EHADRM COc1c(-c2ccc(O[C@@H]3CCOC3)c(C)c2)ccc(F)c1C(=O)[O-] ZINC000657204361 1024105687 /nfs/dbraw/zinc/10/56/87/1024105687.db2.gz FTSYTVQURNYSQB-CYBMUJFWSA-N -1 0 346.354 3.676 20 0 EHADRM Cc1nc(=NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)s[n-]1 ZINC000443924377 1024124448 /nfs/dbraw/zinc/12/44/48/1024124448.db2.gz FAFHKCTTZUMRFC-UHFFFAOYSA-N -1 0 335.860 3.762 20 0 EHADRM CNC(=O)c1ccc(-c2ccc(C(=O)[O-])cc2OC(C)C)cc1C ZINC000657206702 1024128293 /nfs/dbraw/zinc/12/82/93/1024128293.db2.gz VEXFRNOZHANFKQ-UHFFFAOYSA-N -1 0 327.380 3.507 20 0 EHADRM CCc1ccc(CS(=O)(=O)[N-][C@H]([C@@H](C)CC)C(F)(F)F)cc1 ZINC000443943415 1024141506 /nfs/dbraw/zinc/14/15/06/1024141506.db2.gz ZNFPVHCBPWIZFI-SMDDNHRTSA-N -1 0 337.407 3.645 20 0 EHADRM Cc1ccc(NC(=O)c2c(C)[n-]n(-c3ccc(C)cc3C)c2=O)s1 ZINC000505438843 1024182927 /nfs/dbraw/zinc/18/29/27/1024182927.db2.gz SDTQZCTUYDCSRZ-INIZCTEOSA-N -1 0 341.436 3.651 20 0 EHADRM COc1ccc(N(C(=O)c2cc(F)ccc2O)[C@H](C)C2CC2)cc1 ZINC000094076748 1024202099 /nfs/dbraw/zinc/20/20/99/1024202099.db2.gz QZIRBLNBIVRJAX-GFCCVEGCSA-N -1 0 329.371 3.985 20 0 EHADRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000434629730 1024229911 /nfs/dbraw/zinc/22/99/11/1024229911.db2.gz XRRGUDIHPFHBIM-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM COc1cc(OC)c(NC(=O)c2ccc([O-])c(Cl)c2)cc1Cl ZINC000029358020 1024260967 /nfs/dbraw/zinc/26/09/67/1024260967.db2.gz SAWQFXSJVZFWOC-UHFFFAOYSA-N -1 0 342.178 3.969 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)c3ccc4[nH]ccc4c3)s2)c1 ZINC000522345636 1024285145 /nfs/dbraw/zinc/28/51/45/1024285145.db2.gz DPXGYIVUOMJJHW-UHFFFAOYSA-N -1 0 348.431 3.977 20 0 EHADRM O=C([O-])c1csc(NC(=O)[C@H](c2ccncc2)C2CCCC2)c1 ZINC000909517603 1024336942 /nfs/dbraw/zinc/33/69/42/1024336942.db2.gz JWLXZSMEPPAPOE-HNNXBMFYSA-N -1 0 330.409 3.754 20 0 EHADRM CC1(C)CN(C(=O)c2cc(F)cc(Cl)c2[O-])CC2(CCCC2)O1 ZINC000191478695 1024348776 /nfs/dbraw/zinc/34/87/76/1024348776.db2.gz DLQPOKVVGDTCQA-UHFFFAOYSA-N -1 0 341.810 3.749 20 0 EHADRM CCOc1ccc(Oc2ccc(NC(=O)C3(C(=O)[O-])CC3)cc2)cc1 ZINC000262226464 1024414502 /nfs/dbraw/zinc/41/45/02/1024414502.db2.gz MHWVFKZGVIAXQD-UHFFFAOYSA-N -1 0 341.363 3.681 20 0 EHADRM Brc1ccccc1CN=c1[n-]nc(C2CCCCC2)o1 ZINC000346126987 1024426781 /nfs/dbraw/zinc/42/67/81/1024426781.db2.gz HCKCIVRPHLFUKS-UHFFFAOYSA-N -1 0 336.233 3.914 20 0 EHADRM Cc1cc(NC(=O)CC(C)(C)C(=O)[O-])cc(C)c1Br ZINC000191606241 1024442048 /nfs/dbraw/zinc/44/20/48/1024442048.db2.gz JUCGYISHSCGLTC-UHFFFAOYSA-N -1 0 328.206 3.505 20 0 EHADRM COc1ccc(CN=c2[n-]nc(SCC3CCCC3)s2)cc1 ZINC000514434510 1024468184 /nfs/dbraw/zinc/46/81/84/1024468184.db2.gz OLGIAMJYARSHBO-UHFFFAOYSA-N -1 0 335.498 3.863 20 0 EHADRM CC(C)c1nc2cc([N-]S(=O)(=O)c3ccccc3F)ccc2o1 ZINC000032097629 1024484475 /nfs/dbraw/zinc/48/44/75/1024484475.db2.gz FBIMELIOMLBIQO-UHFFFAOYSA-N -1 0 334.372 3.891 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000417748099 1024507432 /nfs/dbraw/zinc/50/74/32/1024507432.db2.gz IBDZSESCRMNRET-UHFFFAOYSA-N -1 0 334.416 3.727 20 0 EHADRM O=S(=O)([N-]c1noc2ccc(Cl)cc21)c1ccc(F)c(F)c1 ZINC000427628554 1024513359 /nfs/dbraw/zinc/51/33/59/1024513359.db2.gz FHBBOOIIYPWKJM-UHFFFAOYSA-N -1 0 344.726 3.560 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000909545382 1024524156 /nfs/dbraw/zinc/52/41/56/1024524156.db2.gz DVFNBENXSIGOSG-JKSUJKDBSA-N -1 0 340.379 3.703 20 0 EHADRM CC(C)(C(=O)[N-]OCc1ccccn1)c1ccc(C(F)(F)F)cc1 ZINC000909522201 1024543885 /nfs/dbraw/zinc/54/38/85/1024543885.db2.gz ZOOQMCIUMLNEFK-UHFFFAOYSA-N -1 0 338.329 3.626 20 0 EHADRM O=C(CCCSc1ccc(Cl)cc1)NOCc1ccccn1 ZINC000909523609 1024625338 /nfs/dbraw/zinc/62/53/38/1024625338.db2.gz PDGPUAWVIVRQDC-UHFFFAOYSA-N -1 0 336.844 3.855 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)Cc2ccc3c(c2)CCCC3)cc1 ZINC000326770569 1024650388 /nfs/dbraw/zinc/65/03/88/1024650388.db2.gz QVZLSQDUIKFREZ-WQLSENKSSA-N -1 0 335.403 3.844 20 0 EHADRM Cc1cccc([C@H](NC(=O)NC(C)(C)CCC(=O)[O-])C(F)(F)F)c1 ZINC000417780481 1024651821 /nfs/dbraw/zinc/65/18/21/1024651821.db2.gz XBFOGSREFCFXQK-ZDUSSCGKSA-N -1 0 346.349 3.541 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1cccc2c(OC)ccnc12 ZINC000548611327 1024691493 /nfs/dbraw/zinc/69/14/93/1024691493.db2.gz AMAVGLIVPDYFBN-UHFFFAOYSA-N -1 0 342.420 3.607 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccccc1OCC(F)F ZINC000474296746 1024717927 /nfs/dbraw/zinc/71/79/27/1024717927.db2.gz JHSQNXNLCUWVDR-UHFFFAOYSA-N -1 0 333.381 3.501 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cc1OC(F)F)c1ccsc1 ZINC000507890613 1024753778 /nfs/dbraw/zinc/75/37/78/1024753778.db2.gz QWCGXQJEEIULJD-UHFFFAOYSA-N -1 0 339.772 3.804 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000427727206 1024758447 /nfs/dbraw/zinc/75/84/47/1024758447.db2.gz KIKQBAGNYASCQM-UHFFFAOYSA-N -1 0 337.847 3.865 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(CC)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000537479931 1033238448 /nfs/dbraw/zinc/23/84/48/1033238448.db2.gz NOZLAWMEQSEGBM-IBGZPJMESA-N -1 0 339.435 3.797 20 0 EHADRM Cc1ccnn1-c1ccccc1NC(=O)c1cc(O)ccc1Cl ZINC000346486676 1024795840 /nfs/dbraw/zinc/79/58/40/1024795840.db2.gz UUGHGQSBYGVKBA-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM CO[C@@H](C)Cc1nc(=O)c2sc(-c3cccc(Cl)c3)cc2[n-]1 ZINC000157353564 1024889416 /nfs/dbraw/zinc/88/94/16/1024889416.db2.gz XNYIJKOPADHOJH-VIFPVBQESA-N -1 0 334.828 3.882 20 0 EHADRM C[C@@H](NC(=O)CC1(C(=O)[O-])CCCC1)c1ccc(F)cc1Cl ZINC000346589305 1024902995 /nfs/dbraw/zinc/90/29/95/1024902995.db2.gz SXNZLSDUOCYDCO-SNVBAGLBSA-N -1 0 327.783 3.691 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1ccc2c(Cl)cccc2n1 ZINC000508124758 1024917031 /nfs/dbraw/zinc/91/70/31/1024917031.db2.gz JWWQGWNTIXPBCB-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM CC(C)C[C@H](NC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000684715725 1024918574 /nfs/dbraw/zinc/91/85/74/1024918574.db2.gz VBLILRKPPNBQOQ-ZANVPECISA-N -1 0 347.242 3.853 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)[nH]n2)c(C)c1 ZINC000474420545 1024931707 /nfs/dbraw/zinc/93/17/07/1024931707.db2.gz GZMCKQXLEWKBBJ-UHFFFAOYSA-N -1 0 349.456 3.575 20 0 EHADRM CC[C@@H](NC(=O)N([C@@H](CC)C(=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC000684717601 1024939676 /nfs/dbraw/zinc/93/96/76/1024939676.db2.gz LLTNAVGAMCNYKW-CABCVRRESA-N -1 0 338.835 3.828 20 0 EHADRM CC(C)n1cc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cn1 ZINC000157527629 1024941490 /nfs/dbraw/zinc/94/14/90/1024941490.db2.gz FHQYAQCZLVXUGL-UHFFFAOYSA-N -1 0 334.228 3.572 20 0 EHADRM CCc1c(C(=O)Nc2cc(F)cc(Cl)c2[O-])cnn1CC(C)C ZINC000474440570 1024974162 /nfs/dbraw/zinc/97/41/62/1024974162.db2.gz YXNFRVPBNKKPNO-UHFFFAOYSA-N -1 0 339.798 3.852 20 0 EHADRM CCCC[C@@H](C)N(C)C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000428142269 1025005992 /nfs/dbraw/zinc/00/59/92/1025005992.db2.gz QOHYRYUGWZKCGV-GFCCVEGCSA-N -1 0 335.835 3.882 20 0 EHADRM CC(C)c1ccccc1OCC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000327498720 1025010434 /nfs/dbraw/zinc/01/04/34/1025010434.db2.gz NDCPRWREDOXNDZ-UHFFFAOYSA-N -1 0 341.407 3.845 20 0 EHADRM Cc1cccc(C)c1Oc1ccccc1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000346677337 1025011676 /nfs/dbraw/zinc/01/16/76/1025011676.db2.gz FVRQFMVRVOCPDP-UHFFFAOYSA-N -1 0 343.408 3.620 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000013092449 1025011677 /nfs/dbraw/zinc/01/16/77/1025011677.db2.gz BDPAMOSFUWPTFR-UHFFFAOYSA-N -1 0 339.322 3.714 20 0 EHADRM CC[C@H](NC(=O)N(CC(=O)[O-])C1CCCCC1)c1ccc(C)cc1 ZINC000684729235 1025075636 /nfs/dbraw/zinc/07/56/36/1025075636.db2.gz QESUZPDMQPIEEB-KRWDZBQOSA-N -1 0 332.444 3.875 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)NCC(C1CC1)C1CC1 ZINC000684734179 1025092977 /nfs/dbraw/zinc/09/29/77/1025092977.db2.gz GBIUNVQBPLHCCI-GOSISDBHSA-N -1 0 344.455 3.670 20 0 EHADRM COc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000071977819 1025096915 /nfs/dbraw/zinc/09/69/15/1025096915.db2.gz BLXUQVGZGKPRCW-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM Cc1cccc([C@@H](NC(=O)C2CCC(C(=O)[O-])CC2)C(F)(F)F)c1 ZINC000435711858 1025100663 /nfs/dbraw/zinc/10/06/63/1025100663.db2.gz UODJMOPLURSVGP-ORHYLEIMSA-N -1 0 343.345 3.606 20 0 EHADRM C[C@H](NC(=O)C1CCC(C(=O)[O-])CC1)c1ccccc1C(F)(F)F ZINC000435719139 1025104408 /nfs/dbraw/zinc/10/44/08/1025104408.db2.gz IXLQNSZMOVYEDJ-UNXYVOJBSA-N -1 0 343.345 3.774 20 0 EHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000435722285 1025107104 /nfs/dbraw/zinc/10/71/04/1025107104.db2.gz MJXYNIBAWLBVRK-UHFFFAOYSA-N -1 0 331.437 3.683 20 0 EHADRM CC[C@@](C)(NC(=O)NCC1(c2cccs2)CCCCC1)C(=O)[O-] ZINC000684736481 1025120408 /nfs/dbraw/zinc/12/04/08/1025120408.db2.gz SJGIUEXGVGWXBF-MRXNPFEDSA-N -1 0 338.473 3.503 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N(CC(C)C)CC(C)(C)C)s1 ZINC000474560871 1025150050 /nfs/dbraw/zinc/15/00/50/1025150050.db2.gz SHFMSCIRJIBDBN-UHFFFAOYSA-N -1 0 330.523 3.608 20 0 EHADRM C[C@@H](NC(=O)N1CCCCC[C@@H]1C(=O)[O-])c1c(F)cccc1Cl ZINC000684739290 1025156853 /nfs/dbraw/zinc/15/68/53/1025156853.db2.gz KJKRSRQTYQDGNZ-ZWNOBZJWSA-N -1 0 342.798 3.579 20 0 EHADRM Cc1c(C(=O)[O-])sc2ncnc(NC[C@@H]3CCC(F)(F)C3)c12 ZINC000515302058 1025161286 /nfs/dbraw/zinc/16/12/86/1025161286.db2.gz ITDYCBMBFMMSPD-MRVPVSSYSA-N -1 0 327.356 3.545 20 0 EHADRM COc1ccccc1C1(CN=c2[n-]nc(C(F)F)s2)CCCC1 ZINC000515325544 1025166114 /nfs/dbraw/zinc/16/61/14/1025166114.db2.gz VWSWUGYAYSACJY-UHFFFAOYSA-N -1 0 339.411 3.830 20 0 EHADRM Cc1cc(=NC(=O)N(C)[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)[n-]nc1C ZINC000467472347 1025216345 /nfs/dbraw/zinc/21/63/45/1025216345.db2.gz GSZVXYQNWKXMMV-OCCSQVGLSA-N -1 0 346.862 3.825 20 0 EHADRM COCCC1(CNC(=O)CC2(CC(=O)[O-])CCCCC2)CCCC1 ZINC000348728909 1025220721 /nfs/dbraw/zinc/22/07/21/1025220721.db2.gz OECGLSYNBZCOAF-UHFFFAOYSA-N -1 0 339.476 3.515 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)CCSc1ccccc1 ZINC000262260913 1025257406 /nfs/dbraw/zinc/25/74/06/1025257406.db2.gz YXLLQMKMQMRDCP-QGZVFWFLSA-N -1 0 343.448 3.809 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1cc(-c2ccccc2)[nH]n1 ZINC000436026334 1025310547 /nfs/dbraw/zinc/31/05/47/1025310547.db2.gz JQJZKRZCCWXICP-UHFFFAOYSA-N -1 0 345.449 3.599 20 0 EHADRM COc1ccc(-c2n[n-]c(=NCc3ccc(Cl)c(F)c3)o2)cc1 ZINC000436030401 1025314468 /nfs/dbraw/zinc/31/44/68/1025314468.db2.gz UUYFHYFBUOAWGK-UHFFFAOYSA-N -1 0 333.750 3.572 20 0 EHADRM CC(C)COc1cccc(NC(=O)N([C@@H](C)C(=O)[O-])C2CCC2)c1 ZINC000515549795 1025343297 /nfs/dbraw/zinc/34/32/97/1025343297.db2.gz FRNYWTATVDFEPG-ZDUSSCGKSA-N -1 0 334.416 3.581 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)/C=C/c2ccc(OC(F)F)cc2)cc1 ZINC000013438681 1025378577 /nfs/dbraw/zinc/37/85/77/1025378577.db2.gz DSEHTSXJVFNNMG-BJMVGYQFSA-N -1 0 347.317 3.567 20 0 EHADRM Cc1c(NC(=O)c2csc(Br)c2)cccc1C(=O)[O-] ZINC000037500403 1025387244 /nfs/dbraw/zinc/38/72/44/1025387244.db2.gz RWYALCWGPZWIDA-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM COC(=O)[C@H]1CC[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000436143915 1025415997 /nfs/dbraw/zinc/41/59/97/1025415997.db2.gz LUOAZSKWNDPYDU-KYZUINATSA-N -1 0 346.210 3.617 20 0 EHADRM CN(Cc1ccc(Br)o1)C(=O)c1cc(Cl)ccc1O ZINC000041395889 1025431203 /nfs/dbraw/zinc/43/12/03/1025431203.db2.gz FNAQHTIDHZMFIH-UHFFFAOYSA-N -1 0 344.592 3.673 20 0 EHADRM Cc1cc(C(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)c(C)o1 ZINC000521552049 1025457824 /nfs/dbraw/zinc/45/78/24/1025457824.db2.gz MFSNQLUGYDASQB-UHFFFAOYSA-N -1 0 333.800 3.743 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000442754676 1025465954 /nfs/dbraw/zinc/46/59/54/1025465954.db2.gz XQOHSZOQUUBPQT-ZMLRMANQSA-N -1 0 344.238 3.809 20 0 EHADRM O=C(N=c1nc(-c2ccccc2)[n-]s1)c1ccc(-n2cccc2)cc1 ZINC000515707896 1025494000 /nfs/dbraw/zinc/49/40/00/1025494000.db2.gz YMTIRPQXXMBEBM-UHFFFAOYSA-N -1 0 346.415 3.670 20 0 EHADRM CCc1cc(=O)[nH]c(SCc2ccc(Oc3ccccc3)nn2)n1 ZINC000436247372 1025496026 /nfs/dbraw/zinc/49/60/26/1025496026.db2.gz OMHRPBYFGPPSPU-UHFFFAOYSA-N -1 0 340.408 3.619 20 0 EHADRM CN(Cc1ccccc1F)C(=O)c1cccc(Br)c1[O-] ZINC000521609005 1025524547 /nfs/dbraw/zinc/52/45/47/1025524547.db2.gz GVMICQYFADROOF-UHFFFAOYSA-N -1 0 338.176 3.566 20 0 EHADRM O=S(=O)([N-]c1ccc2ccoc2c1)c1ccc(C(F)(F)F)nc1 ZINC000442833172 1025525653 /nfs/dbraw/zinc/52/56/53/1025525653.db2.gz BOQXOVHQLHVNRA-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM CCSCc1ccc([N-]S(=O)(=O)c2cnn(C(C)C)c2)cc1 ZINC000451107963 1025542370 /nfs/dbraw/zinc/54/23/70/1025542370.db2.gz QLEHLZSJPHRVRV-UHFFFAOYSA-N -1 0 339.486 3.518 20 0 EHADRM CCCOc1ccc(CN=c2[n-]c(-c3cccc(Cl)c3)no2)cn1 ZINC000521662819 1025555172 /nfs/dbraw/zinc/55/51/72/1025555172.db2.gz ZBDQKHQXTKGRQR-UHFFFAOYSA-N -1 0 344.802 3.608 20 0 EHADRM CCCN(CCC)C(=O)N=c1[n-]nc(C(C)(C)c2ccccc2)s1 ZINC000521655625 1025570634 /nfs/dbraw/zinc/57/06/34/1025570634.db2.gz NVQNNQXHTOGRMU-UHFFFAOYSA-N -1 0 346.500 3.940 20 0 EHADRM C[C@@H](CNC(=O)C(C)(C)Cc1ccc(C(F)(F)F)cc1)CC(=O)[O-] ZINC000909493419 1025586000 /nfs/dbraw/zinc/58/60/00/1025586000.db2.gz ZUSUKFOCSKOSSZ-LLVKDONJSA-N -1 0 345.361 3.501 20 0 EHADRM Cc1ccc(CCC2CCN(C(=O)C[C@@H](C)CC(=O)[O-])CC2)cc1 ZINC000392136385 1025614049 /nfs/dbraw/zinc/61/40/49/1025614049.db2.gz AQBJPGIYUBFXBF-MRXNPFEDSA-N -1 0 331.456 3.667 20 0 EHADRM CCCN(C(=O)Nc1cccc(COC(C)C)c1)[C@H](CC)C(=O)[O-] ZINC000582219414 1025622721 /nfs/dbraw/zinc/62/27/21/1025622721.db2.gz XBBIESBCNSLNJV-MRXNPFEDSA-N -1 0 336.432 3.719 20 0 EHADRM CCOc1cccc([C@H](C)NC(=O)CC2(C(=O)[O-])CCCCC2)c1 ZINC000521727805 1025631528 /nfs/dbraw/zinc/63/15/28/1025631528.db2.gz ULTPGDWAFBCMBN-AWEZNQCLSA-N -1 0 333.428 3.688 20 0 EHADRM CC[C@H](NC(=O)NC[C@H](C(=O)[O-])C1CCC1)c1ccc(Cl)cc1 ZINC000665301929 1025642480 /nfs/dbraw/zinc/64/24/80/1025642480.db2.gz ILFILOYGVQLWQI-GJZGRUSLSA-N -1 0 338.835 3.591 20 0 EHADRM O=C([O-])C1(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CCCC1 ZINC000582244049 1025659995 /nfs/dbraw/zinc/65/99/95/1025659995.db2.gz ISYRAQZGWVOORP-LBPRGKRZSA-N -1 0 339.844 3.638 20 0 EHADRM CC[C@@H](NC(=O)c1cc(Oc2ccccc2)ccc1O)c1ncc[nH]1 ZINC000443130212 1025743061 /nfs/dbraw/zinc/74/30/61/1025743061.db2.gz MZSVDQIKPYCIED-MRXNPFEDSA-N -1 0 337.379 3.789 20 0 EHADRM Cc1cc(S(=O)(=O)N[C@@H](C)c2cnn(C(C)C)c2)sc1Cl ZINC000530385412 1025761890 /nfs/dbraw/zinc/76/18/90/1025761890.db2.gz LMGABVCCOFSNCJ-JTQLQIEISA-N -1 0 347.893 3.527 20 0 EHADRM C[C@H](CC(C)(C)C)NC(=O)c1cc(Br)cc(F)c1[O-] ZINC001141904581 1025770730 /nfs/dbraw/zinc/77/07/30/1025770730.db2.gz VUWFTFWFYZXZNQ-MRVPVSSYSA-N -1 0 332.213 3.848 20 0 EHADRM CCCC[C@@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000347264266 1025781385 /nfs/dbraw/zinc/78/13/85/1025781385.db2.gz SHLCYPBVTQFJOB-MWLCHTKSSA-N -1 0 348.226 3.520 20 0 EHADRM COc1ccc([C@H]2C[C@H](NC(=O)c3ccc([O-])c(Cl)c3)C2)cc1F ZINC000436509360 1025803027 /nfs/dbraw/zinc/80/30/27/1025803027.db2.gz FOXLILXGCLPAGG-JOCQHMNTSA-N -1 0 349.789 3.869 20 0 EHADRM Cc1cc(F)cc([C@]2(F)CCN(C(=O)c3c([O-])cccc3F)C2)c1 ZINC000436514531 1025812338 /nfs/dbraw/zinc/81/23/38/1025812338.db2.gz RCJBXOJVTVFATP-SFHVURJKSA-N -1 0 335.325 3.690 20 0 EHADRM CCCCO[C@@H]1C[C@H](N(C)C(=O)c2cc(F)c([O-])c(F)c2)C1(C)C ZINC000436521741 1025821916 /nfs/dbraw/zinc/82/19/16/1025821916.db2.gz HAAUMPYDMWMNTN-LSDHHAIUSA-N -1 0 341.398 3.726 20 0 EHADRM CC(C)COc1ccc(CCNC(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000436522517 1025822891 /nfs/dbraw/zinc/82/28/91/1025822891.db2.gz LYTCUOQJIGONSC-UHFFFAOYSA-N -1 0 349.377 3.678 20 0 EHADRM O=C(NCc1nc2cc(Cl)ccc2s1)c1ccc(F)cc1[O-] ZINC000436546933 1025848756 /nfs/dbraw/zinc/84/87/56/1025848756.db2.gz HWLCAEIYUFQSOA-UHFFFAOYSA-N -1 0 336.775 3.724 20 0 EHADRM C[C@@H](CC(=O)OC(C)(C)C)NC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000436542987 1025871182 /nfs/dbraw/zinc/87/11/82/1025871182.db2.gz JOAVKEWJKUOHTG-QMMMGPOBSA-N -1 0 348.226 3.549 20 0 EHADRM COc1cccc(CCNC(=O)c2c([O-])cc(Cl)cc2Cl)c1 ZINC000436559846 1025885426 /nfs/dbraw/zinc/88/54/26/1025885426.db2.gz BZGPTSVTQLDEHQ-UHFFFAOYSA-N -1 0 340.206 3.680 20 0 EHADRM CC1(S(=O)(=O)[N-][C@@H](c2cccc3ccccc32)C(F)(F)F)CC1 ZINC000451384630 1025886192 /nfs/dbraw/zinc/88/61/92/1025886192.db2.gz ONSIUWHPOUBDDH-AWEZNQCLSA-N -1 0 343.370 3.915 20 0 EHADRM C[C@@H](O)C[C@@H](C)CNC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436561211 1025890688 /nfs/dbraw/zinc/89/06/88/1025890688.db2.gz FBQXOVKHCPJNJD-CHWSQXEVSA-N -1 0 347.842 3.849 20 0 EHADRM Cc1ncsc1CNC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436564175 1025892174 /nfs/dbraw/zinc/89/21/74/1025892174.db2.gz PNZCBQLYRSMSDY-UHFFFAOYSA-N -1 0 332.812 3.894 20 0 EHADRM CC1(C)CCCc2sc(NC(=O)c3cc(F)c([O-])c(F)c3)nc21 ZINC000436599028 1025917054 /nfs/dbraw/zinc/91/70/54/1025917054.db2.gz BQYJOHBOSLJMEO-UHFFFAOYSA-N -1 0 338.379 3.993 20 0 EHADRM CCC[C@H](CC)[S@@](=O)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000582345089 1025924976 /nfs/dbraw/zinc/92/49/76/1025924976.db2.gz PQTDAKBJVDXLHG-XEKQOVJPSA-N -1 0 347.274 3.902 20 0 EHADRM Cc1cc(Oc2ccc(NC(=O)c3ccc(F)cc3[O-])cc2)n[nH]1 ZINC000436584770 1025925577 /nfs/dbraw/zinc/92/55/77/1025925577.db2.gz NQQLXONXBPILFE-UHFFFAOYSA-N -1 0 327.315 3.607 20 0 EHADRM C[C@@H]1CCC[C@@H](C)N(C(=O)c2ccc(Br)cc2O)C1 ZINC000436589027 1025928385 /nfs/dbraw/zinc/92/83/85/1025928385.db2.gz JKKLOGMWAXDBGT-GHMZBOCLSA-N -1 0 326.234 3.805 20 0 EHADRM c1cc(N2CCCC2)ncc1CN=c1nc(C2CCCCC2)[n-]s1 ZINC000582353504 1025934697 /nfs/dbraw/zinc/93/46/97/1025934697.db2.gz BPWCKNWGNONLLW-UHFFFAOYSA-N -1 0 343.500 3.615 20 0 EHADRM CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000436602311 1025935268 /nfs/dbraw/zinc/93/52/68/1025935268.db2.gz DTAMHTCQNGDEIZ-UHFFFAOYSA-N -1 0 347.436 3.909 20 0 EHADRM Cc1cc(C(=O)[O-])cc(-n2c3cc(N)ccc3nc2C(F)(F)F)c1 ZINC001211542140 1025940351 /nfs/dbraw/zinc/94/03/51/1025940351.db2.gz AGXIXTDJOJWRJU-UHFFFAOYSA-N -1 0 335.285 3.633 20 0 EHADRM Cc1ccc(F)c(CN(C)C(=O)c2cc(F)c([O-])c(Cl)c2)c1 ZINC000436627823 1025953935 /nfs/dbraw/zinc/95/39/35/1025953935.db2.gz VGJMIISOJNIDKT-UHFFFAOYSA-N -1 0 325.742 3.904 20 0 EHADRM CCCN(CC1CCCCC1)C(=O)N=c1[n-]nc(SCC)s1 ZINC000516079700 1025959415 /nfs/dbraw/zinc/95/94/15/1025959415.db2.gz LFDIXSUPPXPVKQ-UHFFFAOYSA-N -1 0 342.534 3.896 20 0 EHADRM CCC[C@]1(COC)CCCN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436634809 1025965112 /nfs/dbraw/zinc/96/51/12/1025965112.db2.gz LUSBJQKDBKORHH-MRXNPFEDSA-N -1 0 329.799 3.606 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(C)n(-c3ccccc3)n2)c1 ZINC000436651480 1025978283 /nfs/dbraw/zinc/97/82/83/1025978283.db2.gz WMJWBXKVOWBTRL-UHFFFAOYSA-N -1 0 349.390 3.731 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cccnc2C(F)(F)F)c1 ZINC000436650363 1025978795 /nfs/dbraw/zinc/97/87/95/1025978795.db2.gz ZDBBPVSVLKBCRN-UHFFFAOYSA-N -1 0 338.285 3.651 20 0 EHADRM CCCC[C@H](NC(=O)c1ccc([O-])c(Cl)c1)C(=O)OC(C)(C)C ZINC000436652916 1025981613 /nfs/dbraw/zinc/98/16/13/1025981613.db2.gz RGHAPBLXNMLXOH-ZDUSSCGKSA-N -1 0 341.835 3.676 20 0 EHADRM O=C(NCCc1ccccc1C(F)(F)F)c1cc(F)c([O-])c(F)c1 ZINC000436639140 1025988731 /nfs/dbraw/zinc/98/87/31/1025988731.db2.gz NMLHLJDIVJXIRZ-UHFFFAOYSA-N -1 0 345.267 3.662 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H](C)OCc2ccccc2)c1 ZINC000436642592 1025990200 /nfs/dbraw/zinc/99/02/00/1025990200.db2.gz BNSVPXYZSSNFSM-ZDUSSCGKSA-N -1 0 327.380 3.529 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc3c(c(Cl)c2)OCO3)c1 ZINC000436647867 1025996026 /nfs/dbraw/zinc/99/60/26/1025996026.db2.gz RNPXVDYXLWTGIG-UHFFFAOYSA-N -1 0 347.754 3.619 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C[C@H]2OCCc3ccccc32)c1 ZINC000436645965 1025997015 /nfs/dbraw/zinc/99/70/15/1025997015.db2.gz NFUUTQPTVZLKRZ-LJQANCHMSA-N -1 0 339.391 3.628 20 0 EHADRM CCOc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)c1 ZINC000443405042 1026002459 /nfs/dbraw/zinc/00/24/59/1026002459.db2.gz IOQJLJMWZAYCOB-UHFFFAOYSA-N -1 0 341.816 3.548 20 0 EHADRM O=C(N[C@H](c1ccccc1)c1ccccn1)c1ccc(Cl)cc1O ZINC000436663962 1026003844 /nfs/dbraw/zinc/00/38/44/1026003844.db2.gz NONPLVFSIUZQDT-GOSISDBHSA-N -1 0 338.794 3.960 20 0 EHADRM Cc1cc(F)c(S(=O)(=O)[N-]c2ncccc2C(C)C)cc1F ZINC000443405980 1026004244 /nfs/dbraw/zinc/00/42/44/1026004244.db2.gz CPLJMIIAEBMOQO-UHFFFAOYSA-N -1 0 326.368 3.592 20 0 EHADRM CCOc1cc(Cl)ccc1CNC(=O)CC(CC)(CC)C(=O)[O-] ZINC000443414288 1026005626 /nfs/dbraw/zinc/00/56/26/1026005626.db2.gz DZXQBCIMHSXJDU-UHFFFAOYSA-N -1 0 341.835 3.636 20 0 EHADRM CCOc1cccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)c1 ZINC000443413262 1026014853 /nfs/dbraw/zinc/01/48/53/1026014853.db2.gz YWHLPPGCCAPWRG-UHFFFAOYSA-N -1 0 329.780 3.679 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cc(Br)cs2)c1 ZINC000436678372 1026029071 /nfs/dbraw/zinc/02/90/71/1026029071.db2.gz GTKYYNKZGNZCOR-UHFFFAOYSA-N -1 0 340.198 3.671 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CSc2cc(C)ccc2C)c1 ZINC000436679923 1026031589 /nfs/dbraw/zinc/03/15/89/1026031589.db2.gz LLHSDLLWBMNPHR-UHFFFAOYSA-N -1 0 329.421 3.942 20 0 EHADRM CCc1nc(C)c(CNC(=O)c2cc(Cl)c3ccccc3c2[O-])o1 ZINC000436686960 1026043328 /nfs/dbraw/zinc/04/33/28/1026043328.db2.gz GKQVWSWBNUGTBA-UHFFFAOYSA-N -1 0 344.798 3.988 20 0 EHADRM Cc1cc(CNC(=O)c2cc(Cl)c3ccccc3c2[O-])nc(C)n1 ZINC000436720279 1026094285 /nfs/dbraw/zinc/09/42/85/1026094285.db2.gz IUAHWCTVEGQOHA-UHFFFAOYSA-N -1 0 341.798 3.536 20 0 EHADRM CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000436723887 1026099742 /nfs/dbraw/zinc/09/97/42/1026099742.db2.gz WLQAPEVYQJITKC-UHFFFAOYSA-N -1 0 346.814 3.780 20 0 EHADRM CC1(C)C[C@H](NC(=O)c2cc(Cl)c3ccccc3c2[O-])CCO1 ZINC000436740728 1026108970 /nfs/dbraw/zinc/10/89/70/1026108970.db2.gz REAZGYTVPJWTIZ-LLVKDONJSA-N -1 0 333.815 3.886 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000262424554 1026122608 /nfs/dbraw/zinc/12/26/08/1026122608.db2.gz RKRLCJHCXGUADH-CQSZACIVSA-N -1 0 333.428 3.770 20 0 EHADRM O=C(c1ccc(F)cc1[O-])N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000436730478 1026123109 /nfs/dbraw/zinc/12/31/09/1026123109.db2.gz WXWFZUZYBTWWJQ-KRWDZBQOSA-N -1 0 339.288 3.520 20 0 EHADRM CO[C@@H](C)c1nc(=NC(=O)C(C)(C)CCCc2ccccc2)s[n-]1 ZINC000511113682 1026126654 /nfs/dbraw/zinc/12/66/54/1026126654.db2.gz CYMFDUFZTDGJKB-ZDUSSCGKSA-N -1 0 347.484 3.655 20 0 EHADRM C[C@@H]1CO[C@@H](C)CN1C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436761140 1026130091 /nfs/dbraw/zinc/13/00/91/1026130091.db2.gz WJUYAXVPVLTWPZ-OLZOCXBDSA-N -1 0 345.826 3.962 20 0 EHADRM CCc1nc([C@H](C)NC(=O)c2ccc(C(F)(F)F)cc2O)cs1 ZINC000436751506 1026139783 /nfs/dbraw/zinc/13/97/83/1026139783.db2.gz LTURFHIJOHYVNO-QMMMGPOBSA-N -1 0 344.358 3.921 20 0 EHADRM CC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000436755523 1026146181 /nfs/dbraw/zinc/14/61/81/1026146181.db2.gz NYVAAKKJXFQCFJ-UHFFFAOYSA-N -1 0 346.814 3.826 20 0 EHADRM CC(C)c1n[n-]c(=NCc2cccc(Br)c2Cl)o1 ZINC000413485240 1026197529 /nfs/dbraw/zinc/19/75/29/1026197529.db2.gz GURLMWOYKLXJOO-UHFFFAOYSA-N -1 0 330.613 3.643 20 0 EHADRM Brc1cccc([C@H]2C[C@@H]2N=c2nc(C3CC3)[n-]s2)c1 ZINC000530696789 1026225985 /nfs/dbraw/zinc/22/59/85/1026225985.db2.gz RPFQSBFDHAURMU-NEPJUHHUSA-N -1 0 336.258 3.568 20 0 EHADRM CCN(C(=O)c1ccc(C(=O)[O-])cc1F)[C@H](C)c1cccc(OC)c1 ZINC000262430530 1026233338 /nfs/dbraw/zinc/23/33/38/1026233338.db2.gz ROXHAUSRFCMHNB-GFCCVEGCSA-N -1 0 345.370 3.756 20 0 EHADRM O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1ccc([O-])c(Cl)c1 ZINC000116466157 1026237371 /nfs/dbraw/zinc/23/73/71/1026237371.db2.gz MQVHSFJKDOVLMD-CQSZACIVSA-N -1 0 348.805 3.584 20 0 EHADRM COc1ccc(OC)c(NC(=O)c2ccc(C(F)(F)F)c(O)c2)c1 ZINC000684869751 1026240568 /nfs/dbraw/zinc/24/05/68/1026240568.db2.gz ZQIBMUIBZUYZAS-UHFFFAOYSA-N -1 0 341.285 3.681 20 0 EHADRM CCc1cccc(C(=O)N[C@@H](C)c2nc(C3CCCCC3)no2)c1O ZINC000530748496 1026260009 /nfs/dbraw/zinc/26/00/09/1026260009.db2.gz AJRSPVIXXXWEPN-LBPRGKRZSA-N -1 0 343.427 3.876 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N[C@H]2CCCc3sccc32)s1 ZINC000342564199 1026301134 /nfs/dbraw/zinc/30/11/34/1026301134.db2.gz CIOJZXMQNWTPMM-NSHDSACASA-N -1 0 336.486 3.563 20 0 EHADRM C[C@@H](C(F)(F)F)S(=O)(=O)[N-]CCCCc1ccc(Cl)s1 ZINC000560059995 1026305277 /nfs/dbraw/zinc/30/52/77/1026305277.db2.gz MOPRUPVSERTRBS-QMMMGPOBSA-N -1 0 349.827 3.594 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c(C)n1 ZINC000530801347 1026320715 /nfs/dbraw/zinc/32/07/15/1026320715.db2.gz LFBIXXXKXATPBB-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM O=c1nc(CN2CC3(CCC3)[C@@H]2c2ccco2)[n-]c2ccsc21 ZINC000451863303 1026331795 /nfs/dbraw/zinc/33/17/95/1026331795.db2.gz VYFKJOAQJRGBAB-HNNXBMFYSA-N -1 0 327.409 3.717 20 0 EHADRM O=C(CCC(=O)c1ccc(F)c(F)c1)Nc1ccc(O)c(Cl)c1 ZINC000122282722 1026343793 /nfs/dbraw/zinc/34/37/93/1026343793.db2.gz FZNNMANVRLKDKF-UHFFFAOYSA-N -1 0 339.725 3.925 20 0 EHADRM CCCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1CC ZINC000324857725 1026391930 /nfs/dbraw/zinc/39/19/30/1026391930.db2.gz NIPYHCIXCUHNON-UHFFFAOYSA-N -1 0 347.436 3.701 20 0 EHADRM CCCC[C@@H](NC(=O)Nc1cccc(SC(F)F)c1)C(=O)[O-] ZINC000780534857 1026392781 /nfs/dbraw/zinc/39/27/81/1026392781.db2.gz YDDRQLRUKYTHSN-LLVKDONJSA-N -1 0 332.372 3.766 20 0 EHADRM COCCSc1ccc([C@@H](C)N=c2nc(C(C)C)[n-]s2)cc1 ZINC000530930777 1026429853 /nfs/dbraw/zinc/42/98/53/1026429853.db2.gz RIPZIPMQWAUULS-GFCCVEGCSA-N -1 0 337.514 3.995 20 0 EHADRM CCC(C)(C)N(C)C(=O)N(Cc1ccccc1)[C@H](C(=O)[O-])C1CC1 ZINC000684896553 1026445158 /nfs/dbraw/zinc/44/51/58/1026445158.db2.gz XLNUHMRCFNOUJE-INIZCTEOSA-N -1 0 332.444 3.592 20 0 EHADRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000531008634 1026480399 /nfs/dbraw/zinc/48/03/99/1026480399.db2.gz WXYZPZWBHCUMHW-UHFFFAOYSA-N -1 0 335.356 3.771 20 0 EHADRM CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000531009514 1026480813 /nfs/dbraw/zinc/48/08/13/1026480813.db2.gz DCWWNSDCSKIURD-UHFFFAOYSA-N -1 0 347.440 3.929 20 0 EHADRM COCCc1nc(=NCc2ccc(C3CCCCC3)cc2)s[n-]1 ZINC000431435581 1026485328 /nfs/dbraw/zinc/48/53/28/1026485328.db2.gz ZCRMZPFVIDJDQW-UHFFFAOYSA-N -1 0 331.485 3.809 20 0 EHADRM Cc1cc(Nc2ccccc2OC2CCOCC2)cc(C(=O)[O-])c1 ZINC001211547629 1026488299 /nfs/dbraw/zinc/48/82/99/1026488299.db2.gz VFXBFWRZYVAASX-UHFFFAOYSA-N -1 0 327.380 3.995 20 0 EHADRM O=C(c1cc(F)cc(Br)c1[O-])N1CC[C@@H](CC2CC2)C1 ZINC000452165897 1026535199 /nfs/dbraw/zinc/53/51/99/1026535199.db2.gz RQDIQLGMQLPZJY-JTQLQIEISA-N -1 0 342.208 3.556 20 0 EHADRM CCC[C@@](C)(NC(=O)c1ccc(OC2CCC2)cc1Cl)C(=O)[O-] ZINC000431444694 1026561244 /nfs/dbraw/zinc/56/12/44/1026561244.db2.gz JRZFRUVJQIJSRL-QGZVFWFLSA-N -1 0 339.819 3.645 20 0 EHADRM CC[C@H](C(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-])c1ccccc1 ZINC000192888080 1026587234 /nfs/dbraw/zinc/58/72/34/1026587234.db2.gz GVMAJSGLCVMDIN-APWZRJJASA-N -1 0 339.435 3.930 20 0 EHADRM CCC[C@@](C)(NC(=O)Cc1cc2c(ccc3ccccc23)o1)C(=O)[O-] ZINC000431456626 1026644499 /nfs/dbraw/zinc/64/44/99/1026644499.db2.gz GFQHSLRLNLPUQL-HXUWFJFHSA-N -1 0 339.391 3.888 20 0 EHADRM CC(C)(CNC(=O)CC1(C(=O)[O-])CCC1)c1ccc(F)cc1Cl ZINC000262497870 1026646338 /nfs/dbraw/zinc/64/63/38/1026646338.db2.gz KGDRVLYWHUQVOV-UHFFFAOYSA-N -1 0 341.810 3.518 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)CC1 ZINC000325337486 1026665000 /nfs/dbraw/zinc/66/50/00/1026665000.db2.gz XECLDRMVPIKVCI-QCHPOJQSSA-N -1 0 333.472 3.696 20 0 EHADRM C[C@H]([N-]c1nc(-c2cccc(Cl)c2)no1)C(=O)N1CCCC[C@@H]1C ZINC000301249530 1026737582 /nfs/dbraw/zinc/73/75/82/1026737582.db2.gz CPVRFBIEAYTMEF-RYUDHWBXSA-N -1 0 348.834 3.591 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)c2cc(-c3ccccc3)ns2)s1 ZINC000531285355 1026756287 /nfs/dbraw/zinc/75/62/87/1026756287.db2.gz AIKUPCZCQLIIBJ-UHFFFAOYSA-N -1 0 344.465 3.633 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)c1cccc(C2CC2)c1)c1cccc(F)c1 ZINC000563422457 1026841375 /nfs/dbraw/zinc/84/13/75/1026841375.db2.gz HFRZLKAHBWWAAI-FQEVSTJZSA-N -1 0 341.382 3.823 20 0 EHADRM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c1 ZINC000614736863 1026884217 /nfs/dbraw/zinc/88/42/17/1026884217.db2.gz LANWUVMPHAIWQD-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)c1cc(F)c(Cl)cc1Cl)C(=O)[O-] ZINC000400463251 1026889354 /nfs/dbraw/zinc/88/93/54/1026889354.db2.gz UCCGCVMGFUFSIP-JMCQJSRRSA-N -1 0 336.190 3.752 20 0 EHADRM CC[C@H]1C[C@@H](C)CN1C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000531464257 1026944085 /nfs/dbraw/zinc/94/40/85/1026944085.db2.gz WBQCDSNNUQYWOB-ZBFHGGJFSA-N -1 0 341.455 3.962 20 0 EHADRM O=C(NCC[C@@H]1CCc2ccccc21)c1cc(F)c(F)c([O-])c1F ZINC000452720471 1026962200 /nfs/dbraw/zinc/96/22/00/1026962200.db2.gz SQBBGZJKJCYCEI-NSHDSACASA-N -1 0 335.325 3.659 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1cc(SC)ccc1C ZINC000342780524 1027026501 /nfs/dbraw/zinc/02/65/01/1027026501.db2.gz LZTNNSDHZGGQCA-UHFFFAOYSA-N -1 0 329.468 3.588 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cc(C)c(C)s2)cc1C ZINC000342780507 1027026702 /nfs/dbraw/zinc/02/67/02/1027026702.db2.gz LXZOSUHAUHETEG-SNVBAGLBSA-N -1 0 327.475 3.642 20 0 EHADRM O=C([O-])c1ccc2c(c1)[nH]nc2-c1nc2cc(F)ccc2n1C1CC1 ZINC000536556380 1027300693 /nfs/dbraw/zinc/30/06/93/1027300693.db2.gz YPZOFAYXRQFUMM-UHFFFAOYSA-N -1 0 336.326 3.752 20 0 EHADRM O=C(c1cccc(F)c1[O-])N1CCc2c1cccc2C(F)(F)F ZINC001268889618 1027321732 /nfs/dbraw/zinc/32/17/32/1027321732.db2.gz BXKUMYXGDZOZSZ-UHFFFAOYSA-N -1 0 325.261 3.753 20 0 EHADRM Cc1ccc(C)c([C@H]2CCCN2C(=O)c2nc3ccccc3c(=O)[nH]2)c1 ZINC000127750713 1027350897 /nfs/dbraw/zinc/35/08/97/1027350897.db2.gz IZDSGRIJTPJSMH-GOSISDBHSA-N -1 0 347.418 3.517 20 0 EHADRM CC(C)[C@H]1CCN(C(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000531774857 1027361685 /nfs/dbraw/zinc/36/16/85/1027361685.db2.gz BXWSLQWOEWIOBY-VIFPVBQESA-N -1 0 346.652 3.926 20 0 EHADRM COc1ccc(CNc2cccc(C(=O)[O-])c2C)c(Cl)c1OC ZINC000320876427 1027407203 /nfs/dbraw/zinc/40/72/03/1027407203.db2.gz SKFPVOGQBVQBQI-UHFFFAOYSA-N -1 0 335.787 3.976 20 0 EHADRM Cc1cccc([C@@H]2CCN(C(=O)c3cc(F)c(F)c([O-])c3F)C2)c1 ZINC000273494474 1027456954 /nfs/dbraw/zinc/45/69/54/1027456954.db2.gz PBBMZESJADLLHX-GFCCVEGCSA-N -1 0 335.325 3.748 20 0 EHADRM CCc1ccccc1OCC(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000262518385 1027494408 /nfs/dbraw/zinc/49/44/08/1027494408.db2.gz NIYSKNUPURCPAY-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM C[C@@H](N=c1[n-]nc(-c2ccccc2)s1)c1ccccc1-n1cccn1 ZINC000531843774 1027508360 /nfs/dbraw/zinc/50/83/60/1027508360.db2.gz CUNKDCICEVCVMB-CQSZACIVSA-N -1 0 347.447 3.986 20 0 EHADRM Cc1ccc(-c2cc([N-]S(=O)(=O)c3sccc3C)n[nH]2)s1 ZINC000444424111 1027519428 /nfs/dbraw/zinc/51/94/28/1027519428.db2.gz ABJXSAHNNIUBGV-UHFFFAOYSA-N -1 0 339.467 3.617 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000685019183 1027541654 /nfs/dbraw/zinc/54/16/54/1027541654.db2.gz RHWOITFSRCSXBL-UHFFFAOYSA-N -1 0 331.799 3.766 20 0 EHADRM CC(C)Cc1nc(=NC(=O)c2cc(Cl)sc2Cl)s[n-]1 ZINC000618346282 1125056716 /nfs/dbraw/zinc/05/67/16/1125056716.db2.gz QSUSPILCCIEOCQ-UHFFFAOYSA-N -1 0 336.269 3.779 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@H]2CC[C@H](c3cccc(F)c3)C2)s1 ZINC000475519160 1027558505 /nfs/dbraw/zinc/55/85/05/1027558505.db2.gz BTETUDCIKBMPRD-JSGCOSHPSA-N -1 0 348.447 3.509 20 0 EHADRM O=C([O-])C1(CC(=O)N2CCC[C@H]2c2nc3ccccc3s2)CCC1 ZINC000262523785 1027596386 /nfs/dbraw/zinc/59/63/86/1027596386.db2.gz OGQPCFVDPAUFJY-ZDUSSCGKSA-N -1 0 344.436 3.605 20 0 EHADRM CC1(C(=O)[O-])CCN(Cc2ccc(Br)c(Cl)c2)CC1 ZINC000232844418 1027621613 /nfs/dbraw/zinc/62/16/13/1027621613.db2.gz RLBDYFCAGCBWQJ-UHFFFAOYSA-N -1 0 346.652 3.789 20 0 EHADRM O=C(c1nn(-c2cccc(Cl)c2)cc1[O-])N1CCC2(CCC2)CC1 ZINC000614775154 1027645808 /nfs/dbraw/zinc/64/58/08/1027645808.db2.gz YCVPWPQYZVHZEI-UHFFFAOYSA-N -1 0 345.830 3.638 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OC)c2C)s1 ZINC000614786960 1027664528 /nfs/dbraw/zinc/66/45/28/1027664528.db2.gz LAGIRGKHXPGZDJ-UHFFFAOYSA-N -1 0 325.455 3.737 20 0 EHADRM O=C(Nc1ccc(Oc2cccnn2)cc1)c1cc(Cl)ccc1[O-] ZINC001167944383 1027690972 /nfs/dbraw/zinc/69/09/72/1027690972.db2.gz CEQODSADBCZOJR-UHFFFAOYSA-N -1 0 341.754 3.880 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(OC2CCCCC2)cc1 ZINC000422576947 1027806095 /nfs/dbraw/zinc/80/60/95/1027806095.db2.gz ADIPEIIBXRSSBO-ZBFHGGJFSA-N -1 0 345.439 3.723 20 0 EHADRM Cc1c(NC(=O)c2cc(C)ccc2O)cnn1-c1ccccc1F ZINC000533406202 1027814383 /nfs/dbraw/zinc/81/43/83/1027814383.db2.gz KKUVIPGABHGIQW-UHFFFAOYSA-N -1 0 325.343 3.586 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)NCCCCCCC(=O)[O-])cc1 ZINC000320677720 1027836235 /nfs/dbraw/zinc/83/62/35/1027836235.db2.gz OEOVWSBDOBPMLB-CQSZACIVSA-N -1 0 341.473 3.514 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(Cl)c(Cl)n1 ZINC000783604288 1027836953 /nfs/dbraw/zinc/83/69/53/1027836953.db2.gz CYYHQUBWPAXVJS-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)c2ccc(C)cc2C)s[n-]1 ZINC000472267015 1027896326 /nfs/dbraw/zinc/89/63/26/1027896326.db2.gz ANAKAUGGWKDQSX-UHFFFAOYSA-N -1 0 329.450 3.866 20 0 EHADRM CSc1ccccc1[C@@H](C)NC(=O)N([C@@H](C)C(=O)[O-])C1CCC1 ZINC000929051908 1028031765 /nfs/dbraw/zinc/03/17/65/1028031765.db2.gz PPBGJBAXSRDRPM-NEPJUHHUSA-N -1 0 336.457 3.507 20 0 EHADRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)c(C)s1 ZINC000047831506 1028052192 /nfs/dbraw/zinc/05/21/92/1028052192.db2.gz DLQDCRVIFIIXAI-UHFFFAOYSA-N -1 0 329.830 3.712 20 0 EHADRM CC(C)CC[C@H](NC(=O)c1cc(=O)n(C)[n-]1)c1ccc(Cl)cc1 ZINC000666711178 1028107476 /nfs/dbraw/zinc/10/74/76/1028107476.db2.gz UFXCTDSPBFSBQZ-AWEZNQCLSA-N -1 0 335.835 3.686 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2cccnc2OC2CCOCC2)c1 ZINC001211960612 1028189440 /nfs/dbraw/zinc/18/94/40/1028189440.db2.gz GKCBOUDUHFHFIH-UHFFFAOYSA-N -1 0 348.786 3.735 20 0 EHADRM COC(=O)c1cc(Cl)cnc1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211960482 1028190068 /nfs/dbraw/zinc/19/00/68/1028190068.db2.gz BYTNPJHJSYMCAT-UHFFFAOYSA-N -1 0 341.150 3.617 20 0 EHADRM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2OCC)cc1 ZINC000614852260 1028211041 /nfs/dbraw/zinc/21/10/41/1028211041.db2.gz JENFFOXDEYXLPX-UHFFFAOYSA-N -1 0 349.452 3.983 20 0 EHADRM CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000614852189 1028211797 /nfs/dbraw/zinc/21/17/97/1028211797.db2.gz DQTRMAGTGQYLDK-UHFFFAOYSA-N -1 0 341.379 3.863 20 0 EHADRM Cc1cc(Nc2cc(Cl)cc(C(=O)[O-])c2)n(-c2cccnc2)n1 ZINC001211962359 1028213887 /nfs/dbraw/zinc/21/38/87/1028213887.db2.gz ACHLIPUIOBYTKG-UHFFFAOYSA-N -1 0 328.759 3.671 20 0 EHADRM CCOC(=O)CCc1cncc(Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC001211962459 1028215185 /nfs/dbraw/zinc/21/51/85/1028215185.db2.gz FLGPWUUFOQTSRH-UHFFFAOYSA-N -1 0 348.786 3.673 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2cccc(N3CCOCC3)c2)c1 ZINC001211965276 1028271784 /nfs/dbraw/zinc/27/17/84/1028271784.db2.gz XCVAKPUQPTTXAG-UHFFFAOYSA-N -1 0 332.787 3.618 20 0 EHADRM Cc1oncc1[N-]S(=O)(=O)c1ccc2oc3ccccc3c2c1 ZINC000536629713 1028320123 /nfs/dbraw/zinc/32/01/23/1028320123.db2.gz QCSOLSUODOVAQZ-UHFFFAOYSA-N -1 0 328.349 3.683 20 0 EHADRM CCO[C@H](CN=c1[n-]nc(Cc2ccccc2)s1)c1ccccc1 ZINC000444869632 1028358077 /nfs/dbraw/zinc/35/80/77/1028358077.db2.gz FARFTNUDNVDFIG-QGZVFWFLSA-N -1 0 339.464 3.741 20 0 EHADRM COCCC1(CN=c2[n-]nc(Cc3ccc(F)cc3)s2)CCCC1 ZINC000544395146 1028359084 /nfs/dbraw/zinc/35/90/84/1028359084.db2.gz RPCIDCCLRWTUKZ-UHFFFAOYSA-N -1 0 349.475 3.699 20 0 EHADRM COc1cccc2cc(C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)oc21 ZINC000237355161 1028380961 /nfs/dbraw/zinc/38/09/61/1028380961.db2.gz YFQWEXCHKPDWSX-JXMROGBWSA-N -1 0 337.331 3.792 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)C2(c3cccc(F)c3)CCCC2)C1 ZINC000237955652 1028489443 /nfs/dbraw/zinc/48/94/43/1028489443.db2.gz VZZXONLSQGJNAG-HNNXBMFYSA-N -1 0 347.430 3.741 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)Nc2ccccc2OCCC)s1 ZINC000502682362 1028552935 /nfs/dbraw/zinc/55/29/35/1028552935.db2.gz WSOKMKBVFFNDQV-UHFFFAOYSA-N -1 0 334.445 3.735 20 0 EHADRM CO[C@H](C)c1nc(=Nc2cnn(-c3cc(C)ccc3C)c2C)s[n-]1 ZINC000509540756 1028588470 /nfs/dbraw/zinc/58/84/70/1028588470.db2.gz ISNSLLRZHBMETA-CYBMUJFWSA-N -1 0 343.456 3.522 20 0 EHADRM CCN(C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1)[C@@H]1CCCC[C@@H]1C ZINC000237032530 1028617202 /nfs/dbraw/zinc/61/72/02/1028617202.db2.gz XULQYJPUUGNHGN-SUMWQHHRSA-N -1 0 347.455 3.808 20 0 EHADRM COc1ccc(Cc2noc(-c3ccc([O-])c(Cl)c3)n2)cc1F ZINC000445209051 1028618507 /nfs/dbraw/zinc/61/85/07/1028618507.db2.gz YHBIJCKDFCFWGT-UHFFFAOYSA-N -1 0 334.734 3.834 20 0 EHADRM Cn1ncc([N-]S(=O)(=O)c2cccc(Cl)c2)c1-c1ccccc1 ZINC000074563314 1028624783 /nfs/dbraw/zinc/62/47/83/1028624783.db2.gz DISNFQKFGWNKPZ-UHFFFAOYSA-N -1 0 347.827 3.541 20 0 EHADRM Cc1cc(C(=O)N(C)C2CCC(C)(C)CC2)cc(C)c1OCC(=O)[O-] ZINC000237195022 1028640696 /nfs/dbraw/zinc/64/06/96/1028640696.db2.gz BJUGOCLAXIYODF-UHFFFAOYSA-N -1 0 347.455 3.808 20 0 EHADRM CN(C)c1ccc(-c2noc(-c3ccc([O-])c(Cl)c3)n2)cc1F ZINC000445236301 1028645129 /nfs/dbraw/zinc/64/51/29/1028645129.db2.gz QJZZJYBMSCIABW-UHFFFAOYSA-N -1 0 333.750 3.968 20 0 EHADRM CSc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2C)cc1 ZINC000237312086 1028647034 /nfs/dbraw/zinc/64/70/34/1028647034.db2.gz CVISUFPOZOYPGG-MRXNPFEDSA-N -1 0 329.421 3.663 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)Cc1ccc(Cl)cc1 ZINC000237591543 1028655749 /nfs/dbraw/zinc/65/57/49/1028655749.db2.gz QQWPTFMOZIDKEK-MRXNPFEDSA-N -1 0 331.799 3.523 20 0 EHADRM Cc1noc(C)c1CCC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000237595989 1028656708 /nfs/dbraw/zinc/65/67/08/1028656708.db2.gz CFLXGIRJZUVXPV-UHFFFAOYSA-N -1 0 344.392 3.776 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000523845730 1028671028 /nfs/dbraw/zinc/67/10/28/1028671028.db2.gz FAECFTREDBAUHM-ZWKOTPCHSA-N -1 0 329.403 3.671 20 0 EHADRM CC(C)n1c(=N)[n-]nc1SCCOc1cccc(C(C)(C)C)c1 ZINC000504494110 1028677269 /nfs/dbraw/zinc/67/72/69/1028677269.db2.gz SRHSEPMWQLHUPQ-UHFFFAOYSA-N -1 0 334.489 3.740 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)c1 ZINC000238125073 1028678771 /nfs/dbraw/zinc/67/87/71/1028678771.db2.gz HLWVLJIOPRYJIB-HUUCEWRRSA-N -1 0 329.783 3.709 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c1 ZINC000238126711 1028678839 /nfs/dbraw/zinc/67/88/39/1028678839.db2.gz HLWVLJIOPRYJIB-GJZGRUSLSA-N -1 0 329.783 3.709 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@@H](c2ccccc2F)C2CCCC2)CCC1 ZINC000262560884 1028712488 /nfs/dbraw/zinc/71/24/88/1028712488.db2.gz WGLKYHQVVQOSKR-QGZVFWFLSA-N -1 0 333.403 3.818 20 0 EHADRM C[C@@]1(O)CCCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])C1 ZINC000153799112 1028751933 /nfs/dbraw/zinc/75/19/33/1028751933.db2.gz PFEUYLRAYXGSBR-LJQANCHMSA-N -1 0 345.826 3.700 20 0 EHADRM CCCc1nc(C)c([N-]S(=O)(=O)c2c(F)cc(C)cc2F)s1 ZINC000424064587 1028772334 /nfs/dbraw/zinc/77/23/34/1028772334.db2.gz KBBKLZHZOXVQJI-UHFFFAOYSA-N -1 0 346.424 3.791 20 0 EHADRM CO[C@H](CS(=O)(=O)[N-]c1ccccc1C(F)F)c1ccccc1 ZINC000424088277 1028793419 /nfs/dbraw/zinc/79/34/19/1028793419.db2.gz TWJLMSUSOINYMD-OAHLLOKOSA-N -1 0 341.379 3.754 20 0 EHADRM c1ccc(OCCc2n[n-]c(=NCc3cccc(C4CC4)c3)o2)cc1 ZINC000421812507 1028829974 /nfs/dbraw/zinc/82/99/74/1028829974.db2.gz LDYAUYVKAMEKSB-UHFFFAOYSA-N -1 0 335.407 3.603 20 0 EHADRM CCOc1c(OC)cc(CNc2cc(C(=O)[O-])ccc2C)cc1OC ZINC000076275758 1028941378 /nfs/dbraw/zinc/94/13/78/1028941378.db2.gz XLTUCCRPHXMMDV-UHFFFAOYSA-N -1 0 345.395 3.721 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)N=c2[n-]nc(-c3ccsc3)s2)cc1 ZINC000503022855 1028979895 /nfs/dbraw/zinc/97/98/95/1028979895.db2.gz JLLPCAOBQMJBRA-NSHDSACASA-N -1 0 344.465 3.880 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)Cc2ccc3ccccc3c2)s[n-]1 ZINC000524318764 1029081335 /nfs/dbraw/zinc/08/13/35/1029081335.db2.gz HLTHSSFRQUGYAS-UHFFFAOYSA-N -1 0 325.437 3.592 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)C[C@@H](C)C2CCCCC2)sc1C(=O)[O-] ZINC000237393565 1029127217 /nfs/dbraw/zinc/12/72/17/1029127217.db2.gz KUGNBDYBAORTKQ-ZYHUDNBSSA-N -1 0 338.473 3.933 20 0 EHADRM CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@H]3CCC[C@@H](F)C3)c2)n1 ZINC000424607138 1029167199 /nfs/dbraw/zinc/16/71/99/1029167199.db2.gz QTOJPFDUNPHCEW-UONOGXRCSA-N -1 0 343.402 3.878 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N[C@@H](C)C(C)(C)c2ccccc2)s1 ZINC000524436115 1029174506 /nfs/dbraw/zinc/17/45/06/1029174506.db2.gz BQGSHNFYVPQTBD-ZDUSSCGKSA-N -1 0 346.500 3.646 20 0 EHADRM C[C@@H](Sc1n[n-]c(=NCCc2cccs2)s1)C(F)(F)F ZINC000427098629 1029201699 /nfs/dbraw/zinc/20/16/99/1029201699.db2.gz CWFRPNOENMEYNQ-SSDOTTSWSA-N -1 0 339.433 3.719 20 0 EHADRM O=C(N=c1nc(-c2ccccc2Cl)[n-]s1)[C@H]1CCC[C@H](F)C1 ZINC000424661193 1029223926 /nfs/dbraw/zinc/22/39/26/1029223926.db2.gz HXTBTNZLXZDECM-UWVGGRQHSA-N -1 0 339.823 3.747 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1cccc(-c2nccs2)c1 ZINC000079830902 1029238737 /nfs/dbraw/zinc/23/87/37/1029238737.db2.gz RJYWRJVCARGEGF-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N2CC[C@H]2C(C)C)s1)c1ccccc1 ZINC000454733412 1029249034 /nfs/dbraw/zinc/24/90/34/1029249034.db2.gz JMHVBTZMKOKDOU-CABCVRRESA-N -1 0 344.484 3.764 20 0 EHADRM CC(C)n1cncc1CN=c1[n-]nc(SCc2ccccc2)s1 ZINC000424726602 1029298642 /nfs/dbraw/zinc/29/86/42/1029298642.db2.gz UKZYQAGFKYJMAN-UHFFFAOYSA-N -1 0 345.497 3.642 20 0 EHADRM C[C@@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)[C@@H](c2ccco2)C1 ZINC000253550102 1029337427 /nfs/dbraw/zinc/33/74/27/1029337427.db2.gz VEXIBULKRRDSPF-DGCLKSJQSA-N -1 0 329.425 3.963 20 0 EHADRM COc1ccc(C2(NC(=O)c3cc(F)c([O-])c(Cl)c3)CC2)cc1 ZINC000446046478 1029341619 /nfs/dbraw/zinc/34/16/19/1029341619.db2.gz MXBHCGYFSAPUCV-UHFFFAOYSA-N -1 0 335.762 3.612 20 0 EHADRM C[C@@H](Sc1n[nH]c(=O)[n-]1)C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000446068175 1029361493 /nfs/dbraw/zinc/36/14/93/1029361493.db2.gz QGXVGQRTTNPVCU-LLVKDONJSA-N -1 0 341.392 3.666 20 0 EHADRM Cc1ccc(Br)c(CN=c2[n-]nc(C(F)F)s2)c1 ZINC000413524652 1029423261 /nfs/dbraw/zinc/42/32/61/1029423261.db2.gz WGSYQSKVWPPZSB-UHFFFAOYSA-N -1 0 334.189 3.581 20 0 EHADRM CCc1ccc(C(=O)N=c2[n-]nc(Cc3ccccc3F)s2)cc1 ZINC000524674636 1029434041 /nfs/dbraw/zinc/43/40/41/1029434041.db2.gz WBTVPTSSJWYFSB-UHFFFAOYSA-N -1 0 341.411 3.505 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)CCc2cc3ccccc3o2)Cc2ccccc21 ZINC000347377664 1029435977 /nfs/dbraw/zinc/43/59/77/1029435977.db2.gz SVHXAUGSTKDSLO-SFHVURJKSA-N -1 0 349.386 3.576 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)ccc1Oc1ccccc1)c1c[nH]cn1 ZINC000261424981 1029443486 /nfs/dbraw/zinc/44/34/86/1029443486.db2.gz QHBBSJPIJHBKJW-UHFFFAOYSA-N -1 0 349.799 3.656 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)c2cccc(Nc3ccccc3)c2)C1 ZINC000533188825 1029452257 /nfs/dbraw/zinc/45/22/57/1029452257.db2.gz VNCCEZHNSIILID-OAHLLOKOSA-N -1 0 338.407 3.757 20 0 EHADRM CCc1oc(C(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)cc1C(=O)[O-] ZINC000261636887 1029464709 /nfs/dbraw/zinc/46/47/09/1029464709.db2.gz KIIQYERCSHVJIR-ZBFHGGJFSA-N -1 0 341.407 3.681 20 0 EHADRM CCc1oc(C(=O)N2[C@H](C)Cc3cc(F)ccc3[C@@H]2C)cc1C(=O)[O-] ZINC000261676903 1029479869 /nfs/dbraw/zinc/47/98/69/1029479869.db2.gz QABAXBXFJWWPRU-MNOVXSKESA-N -1 0 345.370 3.827 20 0 EHADRM COc1cccc2c1CCN(Cc1cccc(C(=O)[O-])c1Cl)C2 ZINC000583268679 1029479821 /nfs/dbraw/zinc/47/98/21/1029479821.db2.gz SCFLFMJBCFITCJ-UHFFFAOYSA-N -1 0 331.799 3.605 20 0 EHADRM CC(=O)Nc1ccc(C(=O)Nc2cc(F)cc(Cl)c2[O-])cc1F ZINC000434263709 1029540737 /nfs/dbraw/zinc/54/07/37/1029540737.db2.gz JYUHNDNRXIMWQV-UHFFFAOYSA-N -1 0 340.713 3.535 20 0 EHADRM CSc1cc(C(=O)N([C@H](C)C(=O)[O-])C2CC2)c(Cl)cc1Cl ZINC000262130031 1029562244 /nfs/dbraw/zinc/56/22/44/1029562244.db2.gz KQJHDCTUESGHJF-SSDOTTSWSA-N -1 0 348.251 3.793 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N(Cc1ccccc1)CC(F)F ZINC000262190652 1029571996 /nfs/dbraw/zinc/57/19/96/1029571996.db2.gz RBDUVVYMQKMIOJ-UHFFFAOYSA-N -1 0 347.361 3.611 20 0 EHADRM Cc1cc(O[C@@H](C)C(=O)N2CCC(CC(=O)[O-])CC2)ccc1C(C)C ZINC000262442316 1029594528 /nfs/dbraw/zinc/59/45/28/1029594528.db2.gz NZKZMWMJEULYHN-HNNXBMFYSA-N -1 0 347.455 3.599 20 0 EHADRM CC[C@](CNC(=O)CC(C)(C)C(F)(F)F)(C(=O)[O-])c1ccccc1 ZINC000262881708 1029647491 /nfs/dbraw/zinc/64/74/91/1029647491.db2.gz BBOPWQXAQWKQTM-MRXNPFEDSA-N -1 0 345.361 3.514 20 0 EHADRM CC[C@@](CNC(=O)c1cccc(C(F)F)c1)(C(=O)[O-])c1ccccc1 ZINC000262923579 1029650502 /nfs/dbraw/zinc/65/05/02/1029650502.db2.gz FVHUJVLZCCCSMY-IBGZPJMESA-N -1 0 347.361 3.787 20 0 EHADRM c1ccc(-c2n[n-]c(=NCc3cccc(-c4ccncc4)c3)o2)cc1 ZINC000508565124 1029653486 /nfs/dbraw/zinc/65/34/86/1029653486.db2.gz CVUGPAWBSBQMRO-UHFFFAOYSA-N -1 0 328.375 3.833 20 0 EHADRM Cc1c(NC(=O)NC2CCC(C(=O)[O-])CC2)cccc1C(F)(F)F ZINC000263014083 1029656469 /nfs/dbraw/zinc/65/64/69/1029656469.db2.gz HZKXGWQOIKYECU-UHFFFAOYSA-N -1 0 344.333 3.779 20 0 EHADRM CC[C@](CNC(=O)C(C)(C)c1cccs1)(C(=O)[O-])c1ccccc1 ZINC000263025347 1029657167 /nfs/dbraw/zinc/65/71/67/1029657167.db2.gz OXDMBTIWOLHXTF-LJQANCHMSA-N -1 0 345.464 3.575 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccccc2-c2cccs2)C1 ZINC000263039253 1029659493 /nfs/dbraw/zinc/65/94/93/1029659493.db2.gz CCXZSUCNCUPCNM-CHWSQXEVSA-N -1 0 344.436 3.990 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000263078644 1029664613 /nfs/dbraw/zinc/66/46/13/1029664613.db2.gz UNYSUKPEUDAMME-SFHVURJKSA-N -1 0 337.847 3.622 20 0 EHADRM Cc1cc(NC(=O)NC(C)(C)CCC(=O)[O-])ccc1-c1ccncc1 ZINC000263111541 1029667413 /nfs/dbraw/zinc/66/74/13/1029667413.db2.gz VRKMPPCUGQXCPP-UHFFFAOYSA-N -1 0 341.411 3.822 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)CC2CCC(C(F)(F)F)CC2)s1 ZINC000263143095 1029669234 /nfs/dbraw/zinc/66/92/34/1029669234.db2.gz GXBPEBUBAGKIOD-UHFFFAOYSA-N -1 0 349.374 3.821 20 0 EHADRM CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(CC)CCC(=O)[O-] ZINC000263152336 1029669777 /nfs/dbraw/zinc/66/97/77/1029669777.db2.gz NXGZWQGGYOBTMQ-ZDUSSCGKSA-N -1 0 345.361 3.597 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)cc1F ZINC000263162775 1029670387 /nfs/dbraw/zinc/67/03/87/1029670387.db2.gz INDCNBGRGULRLP-RYUDHWBXSA-N -1 0 347.308 3.760 20 0 EHADRM C[C@@H](CCC(=O)NC[C@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC000263221894 1029676155 /nfs/dbraw/zinc/67/61/55/1029676155.db2.gz ZAEGKEVRNAZPNV-LPHOPBHVSA-N -1 0 339.435 3.630 20 0 EHADRM O=C([O-])CC1(CC(=O)N2CCc3sc(Cl)cc3C2)CCCC1 ZINC000634922997 1029681106 /nfs/dbraw/zinc/68/11/06/1029681106.db2.gz PFPRBXDCFPWSJO-UHFFFAOYSA-N -1 0 341.860 3.711 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)N[C@@H](c2cccc(F)c2)C2CCCC2)C1 ZINC000263314319 1029688296 /nfs/dbraw/zinc/68/82/96/1029688296.db2.gz ZHCNGADMHPHYBZ-NVXWUHKLSA-N -1 0 348.418 3.563 20 0 EHADRM COc1cccc([C@H](C)C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c1 ZINC000263289914 1029689928 /nfs/dbraw/zinc/68/99/28/1029689928.db2.gz LYKNCCOITDUHMX-QWHCGFSZSA-N -1 0 327.380 3.626 20 0 EHADRM CCCCOc1ccc([C@@H](C)Nc2cnc(C(=O)[O-])cn2)cc1OC ZINC000263407228 1029694132 /nfs/dbraw/zinc/69/41/32/1029694132.db2.gz LATGJYSNXNTUFX-GFCCVEGCSA-N -1 0 345.399 3.535 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000263404616 1029694628 /nfs/dbraw/zinc/69/46/28/1029694628.db2.gz SSPCLXLCFFSETF-SFHVURJKSA-N -1 0 338.407 3.740 20 0 EHADRM CC(C)[C@H](c1ccccc1)N(C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263439973 1029698176 /nfs/dbraw/zinc/69/81/76/1029698176.db2.gz DIWSSSTYBIFMAO-GOSISDBHSA-N -1 0 340.423 3.924 20 0 EHADRM Cc1ccc(SC2(C(=O)N[C@H](C)[C@H](C)C(=O)[O-])CCCC2)cc1 ZINC000263442233 1029698932 /nfs/dbraw/zinc/69/89/32/1029698932.db2.gz MNNMJYNQZMRCER-UONOGXRCSA-N -1 0 335.469 3.625 20 0 EHADRM CCC(CC)n1ncc(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1C ZINC000263472933 1029702424 /nfs/dbraw/zinc/70/24/24/1029702424.db2.gz YMJYBNPMRKLJDH-OAHLLOKOSA-N -1 0 337.464 3.562 20 0 EHADRM CCc1c(C)sc(NC(=O)c2sccc2OC)c1C(=O)[O-] ZINC000263424631 1029703804 /nfs/dbraw/zinc/70/38/04/1029703804.db2.gz JLHHGCVIAVVUTM-UHFFFAOYSA-N -1 0 325.411 3.640 20 0 EHADRM COc1ccc(C[C@@H](C)Nc2cccc(CCC(=O)[O-])c2)cc1OC ZINC000263488678 1029711752 /nfs/dbraw/zinc/71/17/52/1029711752.db2.gz HYMXQOXNDLMHJS-CQSZACIVSA-N -1 0 343.423 3.764 20 0 EHADRM COc1cccc(F)c1[C@@H](C)N=c1[n-]nc(-c2ccccc2)s1 ZINC000525193820 1029747978 /nfs/dbraw/zinc/74/79/78/1029747978.db2.gz YXRCQTCVWVETOF-LLVKDONJSA-N -1 0 329.400 3.948 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)nn2)cc1 ZINC000446955632 1029863994 /nfs/dbraw/zinc/86/39/94/1029863994.db2.gz CWLOCHNVGIFGHK-GFCCVEGCSA-N -1 0 331.441 3.668 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)nn2)cc1 ZINC000446967631 1029874878 /nfs/dbraw/zinc/87/48/78/1029874878.db2.gz WELISKWYQDAPBL-CYBMUJFWSA-N -1 0 349.456 3.578 20 0 EHADRM CO[C@H](C)c1nc(=NCc2ccccc2OCCC(C)C)s[n-]1 ZINC000509693251 1029965165 /nfs/dbraw/zinc/96/51/65/1029965165.db2.gz NTTXGWLJDSLPRV-CYBMUJFWSA-N -1 0 335.473 3.704 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)Nc2nc3c(s2)CCCC3)c1 ZINC000261637962 1029966372 /nfs/dbraw/zinc/96/63/72/1029966372.db2.gz HZIQMQPKKGMWHR-UHFFFAOYSA-N -1 0 345.424 3.683 20 0 EHADRM Cc1cc(Br)ccc1CN=c1[n-]nc(-c2ccccc2)o1 ZINC000508586706 1029974430 /nfs/dbraw/zinc/97/44/30/1029974430.db2.gz HOYQDQNTBCJAHR-UHFFFAOYSA-N -1 0 344.212 3.842 20 0 EHADRM Cc1c(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cnn1C1CCCCC1 ZINC000455795758 1029980620 /nfs/dbraw/zinc/98/06/20/1029980620.db2.gz PPZWADAMDZQLHS-INIZCTEOSA-N -1 0 349.475 3.706 20 0 EHADRM Cc1ncc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)s1 ZINC000447262403 1030050860 /nfs/dbraw/zinc/05/08/60/1030050860.db2.gz DKBFSUGGPOUMHS-UHFFFAOYSA-N -1 0 338.385 3.651 20 0 EHADRM C[C@H]1C[C@H](CSc2n[n-]c(=Nc3cccc(F)c3)s2)CCO1 ZINC000447305111 1030101788 /nfs/dbraw/zinc/10/17/88/1030101788.db2.gz KPCWOBRSSHGRRY-WDEREUQCSA-N -1 0 339.461 3.750 20 0 EHADRM C[C@@H]1C[C@H](CSc2n[n-]c(=Nc3cccc(F)c3)s2)CCO1 ZINC000447305105 1030102175 /nfs/dbraw/zinc/10/21/75/1030102175.db2.gz KPCWOBRSSHGRRY-GHMZBOCLSA-N -1 0 339.461 3.750 20 0 EHADRM Cc1c(C(=O)Nc2cc(C(=O)[O-])ccc2C)cnn1-c1cccc(C)c1 ZINC000532001856 1030211286 /nfs/dbraw/zinc/21/12/86/1030211286.db2.gz YNZJKDAKHXNQAB-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM CC(C)C1CCN(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])CC1 ZINC000447520179 1030241944 /nfs/dbraw/zinc/24/19/44/1030241944.db2.gz JLVRNYWFWJKBQX-UHFFFAOYSA-N -1 0 347.846 3.740 20 0 EHADRM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000159594828 1030276829 /nfs/dbraw/zinc/27/68/29/1030276829.db2.gz ZKJPYOHINNSWQJ-QMMMGPOBSA-N -1 0 331.397 3.854 20 0 EHADRM COc1ccc(F)c(NC(=O)c2cccc(Br)c2[O-])c1 ZINC000532031674 1030323902 /nfs/dbraw/zinc/32/39/02/1030323902.db2.gz WBORBNZLZXUCHH-UHFFFAOYSA-N -1 0 340.148 3.555 20 0 EHADRM CCCN(C(=O)Nc1ncc(-c2ccccc2)s1)[C@H](CC)C(=O)[O-] ZINC000583671106 1030412261 /nfs/dbraw/zinc/41/22/61/1030412261.db2.gz DRQSFGUMRQUVLU-CYBMUJFWSA-N -1 0 347.440 3.917 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)c3cnc4ccccc4c3C)[nH][n-]2)o1 ZINC000447803252 1030485809 /nfs/dbraw/zinc/48/58/09/1030485809.db2.gz RJRBWWNYBDQMHB-UHFFFAOYSA-N -1 0 332.363 3.509 20 0 EHADRM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)C(F)(F)F ZINC000476606852 1030529271 /nfs/dbraw/zinc/52/92/71/1030529271.db2.gz QRUWCWCQJSRYTP-BYPYZUCNSA-N -1 0 342.191 3.532 20 0 EHADRM C[C@@H]1CCCC[C@@H]1N(C)C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000532281101 1030533171 /nfs/dbraw/zinc/53/31/71/1030533171.db2.gz SWNKDAKIJMIUGY-OCCSQVGLSA-N -1 0 330.457 3.669 20 0 EHADRM CCC[C@H]1CCCN(C(=O)c2cccc(Br)c2[O-])C1 ZINC000532334649 1030557695 /nfs/dbraw/zinc/55/76/95/1030557695.db2.gz FEHDYGFPZVWNJE-NSHDSACASA-N -1 0 326.234 3.807 20 0 EHADRM COc1cccc(CN=c2[n-]nc(SCc3ccccc3)s2)c1 ZINC000447957282 1030627956 /nfs/dbraw/zinc/62/79/56/1030627956.db2.gz YHLCYNZVKPTJRD-UHFFFAOYSA-N -1 0 343.477 3.873 20 0 EHADRM CCC1(C)CCN(C(=O)N=c2[n-]nc(/C=C/c3ccco3)s2)CC1 ZINC000343391822 1030660297 /nfs/dbraw/zinc/66/02/97/1030660297.db2.gz OAHLVKVRWQMTHW-VOTSOKGWSA-N -1 0 346.456 3.767 20 0 EHADRM COc1cnc(Br)c(Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC001211596503 1030666446 /nfs/dbraw/zinc/66/64/46/1030666446.db2.gz FGZHVGPHQAKARH-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM C[C@H](CC(=O)[O-])N(C)C(=O)c1cc2cc(C(F)(F)F)ccc2s1 ZINC000583764280 1030670357 /nfs/dbraw/zinc/67/03/57/1030670357.db2.gz DEGSSZOZTJEKBA-MRVPVSSYSA-N -1 0 345.342 3.855 20 0 EHADRM Cc1ccc(Nc2ccc3ncc(Br)n3c2)cc1C(=O)[O-] ZINC001211596843 1030683011 /nfs/dbraw/zinc/68/30/11/1030683011.db2.gz MXCJNNRXWYNVSV-UHFFFAOYSA-N -1 0 346.184 3.847 20 0 EHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000194215136 1030695473 /nfs/dbraw/zinc/69/54/73/1030695473.db2.gz OALGRXIMKOITKT-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM CSc1ccc(O)c(C(=O)N[C@@H](C)[C@H]2OCCc3sccc32)c1 ZINC000615207065 1030722841 /nfs/dbraw/zinc/72/28/41/1030722841.db2.gz IPPNTAUJQDGRTC-MGPLVRAMSA-N -1 0 349.477 3.608 20 0 EHADRM O=C(c1nn(-c2cccc(Cl)c2)cc1[O-])N(C1CCC1)C1CCC1 ZINC000615207438 1030760212 /nfs/dbraw/zinc/76/02/12/1030760212.db2.gz ZSCPNXUUGPZTIQ-UHFFFAOYSA-N -1 0 345.830 3.779 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000448153181 1030774353 /nfs/dbraw/zinc/77/43/53/1030774353.db2.gz DZGLQESBMXMDTL-CQSZACIVSA-N -1 0 338.455 3.654 20 0 EHADRM Cc1ncccc1/C=C1/CN(C)Cc2c(C(=O)[O-])c3ccccc3nc21 ZINC000171417948 1030776311 /nfs/dbraw/zinc/77/63/11/1030776311.db2.gz SBYGXWXKJNZINU-GDNBJRDFSA-N -1 0 345.402 3.622 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000448154325 1030776554 /nfs/dbraw/zinc/77/65/54/1030776554.db2.gz JNODSTDATXMANP-OAHLLOKOSA-N -1 0 340.427 3.513 20 0 EHADRM Cc1cccc(S([O-])=CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)c1 ZINC000194533762 1030838386 /nfs/dbraw/zinc/83/83/86/1030838386.db2.gz OFNOEERDCUDLKQ-YADARESESA-N -1 0 347.455 3.755 20 0 EHADRM O=C(c1nn(-c2ccccc2)cc1[O-])N1CCC[C@H]1c1cccs1 ZINC000172011181 1030861471 /nfs/dbraw/zinc/86/14/71/1030861471.db2.gz ZZXDODNIFMCLFO-AWEZNQCLSA-N -1 0 339.420 3.617 20 0 EHADRM Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1ncccc1[O-] ZINC000123059385 1030886307 /nfs/dbraw/zinc/88/63/07/1030886307.db2.gz UJBIQLYTOZLXSB-UHFFFAOYSA-N -1 0 347.374 3.600 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000262793137 1030911861 /nfs/dbraw/zinc/91/18/61/1030911861.db2.gz QDKGMRLQELFEEW-CYBMUJFWSA-N -1 0 345.826 3.875 20 0 EHADRM O=C([O-])c1cc(N2CCC(c3nc4ccccc4s3)CC2)ccn1 ZINC000650764515 1030955959 /nfs/dbraw/zinc/95/59/59/1030955959.db2.gz AYCAMXAJAIQFHE-UHFFFAOYSA-N -1 0 339.420 3.774 20 0 EHADRM CCN(CCc1ccccc1)C(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000448350492 1031001097 /nfs/dbraw/zinc/00/10/97/1031001097.db2.gz HZKBQEFSYGPQME-UHFFFAOYSA-N -1 0 346.434 3.662 20 0 EHADRM Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2cccc(F)c2C)s1 ZINC000551050319 1031004183 /nfs/dbraw/zinc/00/41/83/1031004183.db2.gz RMKWAYCEVJZJFQ-UHFFFAOYSA-N -1 0 342.461 3.898 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2nc(C(F)(F)F)c[nH]2)cc1 ZINC000551171217 1031075298 /nfs/dbraw/zinc/07/52/98/1031075298.db2.gz FQQZEGDWBDQMKP-SECBINFHSA-N -1 0 347.362 3.743 20 0 EHADRM CC(C)COc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)on2)cc1 ZINC000476933598 1031079681 /nfs/dbraw/zinc/07/96/81/1031079681.db2.gz PHTOLPHLMUQXOL-UHFFFAOYSA-N -1 0 338.429 3.634 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N2CCc3cc(C)ccc3C2)s1 ZINC000483499191 1031191685 /nfs/dbraw/zinc/19/16/85/1031191685.db2.gz ABTPPBRUVJFJIA-UHFFFAOYSA-N -1 0 344.484 3.762 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)c2nn(-c3ccccc3)cc2[O-])cc1 ZINC000175274400 1031316912 /nfs/dbraw/zinc/31/69/12/1031316912.db2.gz BTWWVMKTHYKKKQ-HNNXBMFYSA-N -1 0 335.407 3.720 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1)C(=O)[O-] ZINC000668267969 1031354390 /nfs/dbraw/zinc/35/43/90/1031354390.db2.gz BVIPCRHRAUWVEY-CYBMUJFWSA-N -1 0 345.361 3.756 20 0 EHADRM Cc1ccc(-n2ccc3cc(Br)c(N)cc32)cc1C(=O)[O-] ZINC001211606729 1031404961 /nfs/dbraw/zinc/40/49/61/1031404961.db2.gz XUWNMNXSTQUMQY-UHFFFAOYSA-N -1 0 345.196 3.982 20 0 EHADRM Cc1nc(C=Cc2ccc(Cl)c(Cl)c2)[nH]c(=O)c1CC(=O)[O-] ZINC000347412072 1031422518 /nfs/dbraw/zinc/42/25/18/1031422518.db2.gz GJYLQVXNXXZZLW-HYXAFXHYSA-N -1 0 339.178 3.595 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N[C@@H](C2CCCCC2)C(F)(F)F)c1 ZINC000668301068 1031428389 /nfs/dbraw/zinc/42/83/89/1031428389.db2.gz CLSZYWYWWOOSGQ-HNNXBMFYSA-N -1 0 343.345 3.555 20 0 EHADRM O=C([O-])C1CCC(CC(=O)NCC2(Cc3ccc(F)cc3)CC2)CC1 ZINC000668303081 1031433001 /nfs/dbraw/zinc/43/30/01/1031433001.db2.gz YSUANUQTBKTXDB-UHFFFAOYSA-N -1 0 347.430 3.546 20 0 EHADRM CCC1(CC)CCN(C(=O)N=c2[n-]nc(/C=C\c3ccco3)s2)C1 ZINC000484050013 1031442284 /nfs/dbraw/zinc/44/22/84/1031442284.db2.gz UVBSIPJEUYVTGF-FPLPWBNLSA-N -1 0 346.456 3.767 20 0 EHADRM Cc1ccccc1-c1nc(=N[C@@H](C)C[C@@H](O)c2cccs2)s[n-]1 ZINC000527937092 1031459928 /nfs/dbraw/zinc/45/99/28/1031459928.db2.gz BNRZHUWZKCPRRV-GXTWGEPZSA-N -1 0 345.493 3.921 20 0 EHADRM Cc1ccccc1-c1nc(=NCc2ccc(C(C)(C)O)cc2)s[n-]1 ZINC000527964199 1031531972 /nfs/dbraw/zinc/53/19/72/1031531972.db2.gz GKJRCZDFKGOKFV-UHFFFAOYSA-N -1 0 339.464 3.775 20 0 EHADRM CC(C)=CCCNC(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000484348784 1031548766 /nfs/dbraw/zinc/54/87/66/1031548766.db2.gz XTIPNKFEMXVIMT-UHFFFAOYSA-N -1 0 336.848 3.758 20 0 EHADRM CC(C)c1ccccc1S(=O)(=O)[N-]c1nnc(CC(C)(C)C)o1 ZINC000194863782 1031576544 /nfs/dbraw/zinc/57/65/44/1031576544.db2.gz JZGPMEAEMDKSTA-UHFFFAOYSA-N -1 0 337.445 3.582 20 0 EHADRM O=C(Nc1ccc2cc[nH]c2c1)c1ccc(Br)c([O-])c1 ZINC000194866139 1031576816 /nfs/dbraw/zinc/57/68/16/1031576816.db2.gz KYCAGDTXQMDRDE-UHFFFAOYSA-N -1 0 331.169 3.888 20 0 EHADRM Cc1cnc(CN[C@@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)o1 ZINC000904002678 1031591255 /nfs/dbraw/zinc/59/12/55/1031591255.db2.gz BFCJNKSVTLNRHT-LBPRGKRZSA-N -1 0 329.183 3.595 20 0 EHADRM COCc1c(C)cc(C)c(CN[C@@H](C)c2ncc(C(=O)[O-])s2)c1C ZINC000904020941 1031613599 /nfs/dbraw/zinc/61/35/99/1031613599.db2.gz MXVZSNTUWVYADF-ZDUSSCGKSA-N -1 0 348.468 3.764 20 0 EHADRM Cc1ccnc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)c1 ZINC000178181116 1031638483 /nfs/dbraw/zinc/63/84/83/1031638483.db2.gz RVQOXOLDICKPIC-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM O=C([O-])C[C@@H]([NH2+]Cc1cnc(C2CCC2)s1)c1ccccc1F ZINC000904045128 1031665223 /nfs/dbraw/zinc/66/52/23/1031665223.db2.gz HICQCVSSRPTUKA-OAHLLOKOSA-N -1 0 334.416 3.855 20 0 EHADRM C[C@H]1COCC[C@@H]1c1noc(-c2cc(Cl)cc(Cl)c2[O-])n1 ZINC000904069454 1031721600 /nfs/dbraw/zinc/72/16/00/1031721600.db2.gz ORDVAGXOCAODGP-CBAPKCEASA-N -1 0 329.183 3.889 20 0 EHADRM CN(CC1CCCC1)C(=O)c1cc(Br)c(F)cc1[O-] ZINC000448823668 1031727248 /nfs/dbraw/zinc/72/72/48/1031727248.db2.gz PCPBKHJAQMBAFB-UHFFFAOYSA-N -1 0 330.197 3.556 20 0 EHADRM CCS[C@@H]1CCCC[C@H]1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000180130507 1031805343 /nfs/dbraw/zinc/80/53/43/1031805343.db2.gz JEAMWSWGXTYVIW-GHMZBOCLSA-N -1 0 333.375 3.604 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCSC2(CCCCC2)C1 ZINC000180135110 1031806115 /nfs/dbraw/zinc/80/61/15/1031806115.db2.gz SQOKDWSTCWFSBJ-UHFFFAOYSA-N -1 0 345.386 3.701 20 0 EHADRM O=C([O-])N[C@H]1C[C@@H](Nc2ccc(OC(F)(F)F)cc2)C12CCC2 ZINC000904194458 1031838674 /nfs/dbraw/zinc/83/86/74/1031838674.db2.gz HECUCCQLOBEQPF-NEPJUHHUSA-N -1 0 330.306 3.576 20 0 EHADRM O=C([O-])N[C@@H]1C[C@@H](Nc2ccc(Cl)c(OC(F)F)c2)C12CCC2 ZINC000904231505 1031869031 /nfs/dbraw/zinc/86/90/31/1031869031.db2.gz UKOMNHCHFOMJQY-VXGBXAGGSA-N -1 0 346.761 3.932 20 0 EHADRM CC(C)Oc1c(F)cc(N[C@H]2C[C@@H](NC(=O)[O-])C23CCC3)cc1F ZINC000904231325 1031869880 /nfs/dbraw/zinc/86/98/80/1031869880.db2.gz RZYFXSIGCVELKO-UONOGXRCSA-N -1 0 340.370 3.743 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cncc3ccccc32)cc1Cl ZINC000533937748 1031874236 /nfs/dbraw/zinc/87/42/36/1031874236.db2.gz DYVDMFUBKBSSSE-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)c1F ZINC000180522091 1031884175 /nfs/dbraw/zinc/88/41/75/1031884175.db2.gz GCTOQFIHSZMVTD-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1Cl ZINC000027056691 1031884639 /nfs/dbraw/zinc/88/46/39/1031884639.db2.gz NUNVZCSJUGDGTA-OLZOCXBDSA-N -1 0 337.803 3.733 20 0 EHADRM CC(C)c1nc(=NC[C@H](Cc2ccccc2)C(F)(F)F)s[n-]1 ZINC000584204970 1031936320 /nfs/dbraw/zinc/93/63/20/1031936320.db2.gz LTHUDOUNSFOPKU-LBPRGKRZSA-N -1 0 329.391 3.917 20 0 EHADRM Cc1nc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc(C2CC2)n1 ZINC000127461292 1031984373 /nfs/dbraw/zinc/98/43/73/1031984373.db2.gz UKLWTHPIFSHPRH-UHFFFAOYSA-N -1 0 331.441 3.587 20 0 EHADRM COc1ccc([C@@H](N=c2nc(-c3ccccc3)[n-]s2)C2CC2)cn1 ZINC000528286044 1032007149 /nfs/dbraw/zinc/00/71/49/1032007149.db2.gz KEERBAFGIWYLAK-INIZCTEOSA-N -1 0 338.436 3.594 20 0 EHADRM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000935206157 1032029131 /nfs/dbraw/zinc/02/91/31/1032029131.db2.gz JDKIEPWVOMEKDL-KFJRIYMLSA-N -1 0 348.613 3.714 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)C2(c3ccccc3)CCCC2)C1 ZINC000195090599 1032031522 /nfs/dbraw/zinc/03/15/22/1032031522.db2.gz GARDZFVKCHFUCS-MRXNPFEDSA-N -1 0 329.440 3.602 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccccc2OC2CCCCC2)CC[C@H]1C(=O)[O-] ZINC000449002864 1032041553 /nfs/dbraw/zinc/04/15/53/1032041553.db2.gz NMBOUGOFJUJIMW-GDBMZVCRSA-N -1 0 345.439 3.581 20 0 EHADRM C[C@H]1CN(C(=O)c2cccc(OC3CCCCC3)c2)CC[C@@H]1C(=O)[O-] ZINC000449005605 1032046136 /nfs/dbraw/zinc/04/61/36/1032046136.db2.gz WFAUWAMQAXCBCQ-KSSFIOAISA-N -1 0 345.439 3.581 20 0 EHADRM COc1ccc(N=c2nc(C(C)C)[n-]s2)cc1Br ZINC000536645714 1032051691 /nfs/dbraw/zinc/05/16/91/1032051691.db2.gz PKXIMXPNNMTTGD-UHFFFAOYSA-N -1 0 328.235 3.598 20 0 EHADRM Cc1cc(C)c2c(c1)OC/C(=C/c1ccc([O-])c([N+](=O)[O-])c1)C2=O ZINC000063411718 1033302961 /nfs/dbraw/zinc/30/29/61/1033302961.db2.gz VCCUDIJMCBDBRI-QPEQYQDCSA-N -1 0 325.320 3.576 20 0 EHADRM CC[C@H](C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000263244947 1033339043 /nfs/dbraw/zinc/33/90/43/1033339043.db2.gz UNELRXLYZQWCJU-DDTOSNHZSA-N -1 0 343.345 3.521 20 0 EHADRM CC[C@H]1CCc2c(sc3nc(-c4nccc(C)n4)[n-]c(=O)c32)C1 ZINC000278779034 1033348578 /nfs/dbraw/zinc/34/85/78/1033348578.db2.gz OERUZEXGRMONBY-JTQLQIEISA-N -1 0 326.425 3.677 20 0 EHADRM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccccc1C(F)F ZINC000567658817 1033384363 /nfs/dbraw/zinc/38/43/63/1033384363.db2.gz KQQXORVOOMZHGN-UHFFFAOYSA-N -1 0 343.399 3.819 20 0 EHADRM Fc1ccc(Cc2n[n-]c(=NCc3cnc(C4CC4)s3)s2)cc1 ZINC000537490356 1033389997 /nfs/dbraw/zinc/38/99/97/1033389997.db2.gz IRCCVMSBGCZMGX-UHFFFAOYSA-N -1 0 346.456 3.636 20 0 EHADRM CC[C@@H](C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1)c1ccc(OC)cc1 ZINC000588617103 1033425600 /nfs/dbraw/zinc/42/56/00/1033425600.db2.gz AJAYWRLEQWDUQP-UNIWTGHVSA-N -1 0 339.391 3.925 20 0 EHADRM COCc1cccc(NC(=O)c2ccc(Br)cc2[O-])c1 ZINC000044491088 1033499261 /nfs/dbraw/zinc/49/92/61/1033499261.db2.gz VNTFWJZGZVFBAV-UHFFFAOYSA-N -1 0 336.185 3.553 20 0 EHADRM C[C@@H]1CCC[C@@H](C)N(C(=O)N=c2[n-]nc(Cc3ccccc3)s2)C1 ZINC000608263369 1033559254 /nfs/dbraw/zinc/55/92/54/1033559254.db2.gz CQCVKGABKLOIDY-ZIAGYGMSSA-N -1 0 344.484 3.593 20 0 EHADRM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1cnn(C(C)C)c1 ZINC000548847133 1033579332 /nfs/dbraw/zinc/57/93/32/1033579332.db2.gz RXXMDUJOQPWLSG-UHFFFAOYSA-N -1 0 347.362 3.592 20 0 EHADRM O=C(CCCC1CCCC1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000173880558 1033586389 /nfs/dbraw/zinc/58/63/89/1033586389.db2.gz XYCXYCCCHYNEEJ-UHFFFAOYSA-N -1 0 335.878 3.567 20 0 EHADRM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)C[C@@H](C)C(C)(C)C)c1 ZINC000455958205 1033691231 /nfs/dbraw/zinc/69/12/31/1033691231.db2.gz VRGYNBWDQHYJTJ-BFUOFWGJSA-N -1 0 335.444 3.574 20 0 EHADRM CC[C@H](CNC(=O)c1nn(-c2ccccc2)cc1[O-])c1ccccc1 ZINC000603553419 1033745595 /nfs/dbraw/zinc/74/55/95/1033745595.db2.gz JWOKQNHHRZGVKA-OAHLLOKOSA-N -1 0 335.407 3.502 20 0 EHADRM C[C@]1(c2ccccc2)CCCN(C(=O)c2c([O-])cc(F)cc2F)C1 ZINC000603551684 1033745985 /nfs/dbraw/zinc/74/59/85/1033745985.db2.gz GGLXDKAKVNGCMT-IBGZPJMESA-N -1 0 331.362 3.864 20 0 EHADRM O=C(NC[C@@H]1CCCC(F)(F)C1)c1cc(O)cc(Br)c1 ZINC000529272201 1033746311 /nfs/dbraw/zinc/74/63/11/1033746311.db2.gz NCXUSDNBCAVKOD-SECBINFHSA-N -1 0 348.187 3.710 20 0 EHADRM CCCC[C@H](NC(=O)Nc1ccc2ccn(CCC)c2c1)C(=O)[O-] ZINC000575118469 1033863933 /nfs/dbraw/zinc/86/39/33/1033863933.db2.gz JPDOCECEKUJCQP-HNNXBMFYSA-N -1 0 331.416 3.816 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]C(=O)CCc1ccccc1Cl ZINC000046928110 1033896958 /nfs/dbraw/zinc/89/69/58/1033896958.db2.gz LQXSLYBZLSWINH-UHFFFAOYSA-N -1 0 337.828 3.926 20 0 EHADRM O=C([O-])Cc1ccc(-c2ccc(OC[C@@H]3CCCCO3)cc2)cc1O ZINC000516785490 1033948215 /nfs/dbraw/zinc/94/82/15/1033948215.db2.gz LGQPCSCZHIGIAY-SFHVURJKSA-N -1 0 342.391 3.634 20 0 EHADRM COCc1cc(-c2ccc(C(=O)CCCC(=O)[O-])cc2)ccc1OC ZINC000516938346 1034010960 /nfs/dbraw/zinc/01/09/60/1034010960.db2.gz OHFSUZVRFRJKCB-UHFFFAOYSA-N -1 0 342.391 3.946 20 0 EHADRM CCC[C@H](CC(C)C)C(=O)Nc1cc(S(=O)(=O)CC)ccc1[O-] ZINC000450289301 1034030823 /nfs/dbraw/zinc/03/08/23/1034030823.db2.gz BFSOMXIKOCKCND-CYBMUJFWSA-N -1 0 341.473 3.587 20 0 EHADRM O=C([O-])CCCOc1ccccc1-c1ccc(C2(CO)CC2)cc1 ZINC000516981997 1034057782 /nfs/dbraw/zinc/05/77/82/1034057782.db2.gz RDFVTTAYCHLNBM-UHFFFAOYSA-N -1 0 326.392 3.621 20 0 EHADRM COc1ccc([C@H]2CCCN2C(=O)c2c([O-])cccc2F)c(OC)c1 ZINC000119153440 1034087385 /nfs/dbraw/zinc/08/73/85/1034087385.db2.gz JDNDIIPGOKPNIW-OAHLLOKOSA-N -1 0 345.370 3.526 20 0 EHADRM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccccc2OC)cc1 ZINC000057123693 1034094884 /nfs/dbraw/zinc/09/48/84/1034094884.db2.gz KTAFRTRZAIHQCZ-CYBMUJFWSA-N -1 0 335.425 3.673 20 0 EHADRM Cc1cnc(CCCC(=O)Nc2cc(Cl)c([O-])c(Cl)c2)o1 ZINC000450321305 1034129298 /nfs/dbraw/zinc/12/92/98/1034129298.db2.gz ZUIVFESGZPGVJE-UHFFFAOYSA-N -1 0 329.183 3.957 20 0 EHADRM COc1ccc(N(CC2CC2)C(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000456182446 1034207496 /nfs/dbraw/zinc/20/74/96/1034207496.db2.gz SONCOEWQDVAFRQ-UHFFFAOYSA-N -1 0 333.334 3.736 20 0 EHADRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(OC)cc2)c1C1CC1 ZINC000534239055 1034281793 /nfs/dbraw/zinc/28/17/93/1034281793.db2.gz ZHZHDPIVAXBYHT-GFCCVEGCSA-N -1 0 349.456 3.541 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)c3ccc(F)c(C)c3)s2)c1 ZINC000604264258 1034309689 /nfs/dbraw/zinc/30/96/89/1034309689.db2.gz XUINHGBVZKBJBU-UHFFFAOYSA-N -1 0 341.411 3.944 20 0 EHADRM CC(=O)N[C@@H](CC(=O)[O-])c1ccc(-c2ccc(OC(C)C)cc2)cc1 ZINC000514872108 1034380362 /nfs/dbraw/zinc/38/03/62/1034380362.db2.gz BXHYOGDWMIQGQD-IBGZPJMESA-N -1 0 341.407 3.793 20 0 EHADRM CC1CCN(c2ccc([N-]S(=O)(=O)c3cccs3)cc2)CC1 ZINC000074931626 1034391602 /nfs/dbraw/zinc/39/16/02/1034391602.db2.gz NCOFFURKLBVAPR-UHFFFAOYSA-N -1 0 336.482 3.785 20 0 EHADRM C[C@@H](C(=O)N[C@H](CC(=O)[O-])C1CCCCC1)c1c(F)cccc1F ZINC000450512815 1034447528 /nfs/dbraw/zinc/44/75/28/1034447528.db2.gz SSFSJFOOHRZYMG-IAQYHMDHSA-N -1 0 339.382 3.608 20 0 EHADRM Cc1ccccc1C1(C(=O)N=c2ccc(C3CC3)n[n-]2)CCCCC1 ZINC000604708606 1034463012 /nfs/dbraw/zinc/46/30/12/1034463012.db2.gz AJHNEYKFYXXEHG-UHFFFAOYSA-N -1 0 335.451 3.925 20 0 EHADRM CCc1oc(C(=O)N(C)[C@H](C)Cc2ccccc2C)cc1C(=O)[O-] ZINC000450544367 1034500627 /nfs/dbraw/zinc/50/06/27/1034500627.db2.gz OBGIFSHCEWMIII-CYBMUJFWSA-N -1 0 329.396 3.552 20 0 EHADRM CC[C@H](NC(=O)N=c1nc(C(C)(C)C)[n-]s1)c1ccc(C)cc1 ZINC000604801952 1034511220 /nfs/dbraw/zinc/51/12/20/1034511220.db2.gz VVTMQYDNEMRHFE-ZDUSSCGKSA-N -1 0 332.473 3.839 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1cc2cccc(F)c2o1 ZINC000450539575 1034512558 /nfs/dbraw/zinc/51/25/58/1034512558.db2.gz LMSOBSAXRZEFNI-UHTWSYAYSA-N -1 0 333.359 3.640 20 0 EHADRM COc1c(C)cc(S(=O)(=O)[N-]c2ccc3ccccc3n2)cc1C ZINC000604838848 1034521813 /nfs/dbraw/zinc/52/18/13/1034521813.db2.gz GAYVVXNIMFPFQO-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM CC1(C)CCCC[C@H]1CC(=O)N=c1nc(-c2cccnc2)[n-]s1 ZINC000534440116 1034544082 /nfs/dbraw/zinc/54/40/82/1034544082.db2.gz LFLXRBPYRPGQJL-ZDUSSCGKSA-N -1 0 330.457 3.567 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)Nc1ccccc1C(F)(F)F)C1CC1 ZINC000548908447 1034583585 /nfs/dbraw/zinc/58/35/85/1034583585.db2.gz OGOUEBITCQUHRN-LBPRGKRZSA-N -1 0 330.306 3.565 20 0 EHADRM CCOCc1nc(C)c(C(=O)Nc2cc(F)cc(Cl)c2[O-])s1 ZINC000450687446 1034691564 /nfs/dbraw/zinc/69/15/64/1034691564.db2.gz OQUQAPVTVBGZOM-UHFFFAOYSA-N -1 0 344.795 3.738 20 0 EHADRM CC(C)CN=c1[n-]nc(SCCOC2CCCCCC2)s1 ZINC000605364708 1034720047 /nfs/dbraw/zinc/72/00/47/1034720047.db2.gz PYIKOENYUWHTDI-UHFFFAOYSA-N -1 0 329.535 3.859 20 0 EHADRM Fc1ccc(CN=c2[n-]nc(SCC3CC(F)(F)C3)s2)cc1 ZINC000450749765 1034753844 /nfs/dbraw/zinc/75/38/44/1034753844.db2.gz ZMOSSZJSDIUEKO-UHFFFAOYSA-N -1 0 345.415 3.849 20 0 EHADRM CCOC(=O)CCc1c(C)[n-]n(-c2cc(Cl)cc(Cl)c2)c1=O ZINC000601941592 1034843387 /nfs/dbraw/zinc/84/33/87/1034843387.db2.gz XQSJBELNWATOIO-ZDUSSCGKSA-N -1 0 343.210 3.675 20 0 EHADRM CSCCc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000601979103 1034845523 /nfs/dbraw/zinc/84/55/23/1034845523.db2.gz FFCBROADOASZEI-UHFFFAOYSA-N -1 0 347.408 3.924 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)[O-] ZINC000601983905 1034847524 /nfs/dbraw/zinc/84/75/24/1034847524.db2.gz QWCVMSRRCIWELN-RYUDHWBXSA-N -1 0 341.432 3.791 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)Nc1ccc(OC2CCCC2)cc1)C(=O)[O-] ZINC000601982497 1034848029 /nfs/dbraw/zinc/84/80/29/1034848029.db2.gz BXVUPDAVGQBYIT-RYUDHWBXSA-N -1 0 337.441 3.541 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-] ZINC000601986351 1034848489 /nfs/dbraw/zinc/84/84/89/1034848489.db2.gz CUPXUOYUBAFJIF-RKDXNWHRSA-N -1 0 335.347 3.547 20 0 EHADRM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc(SC)nc1 ZINC000606142936 1034872620 /nfs/dbraw/zinc/87/26/20/1034872620.db2.gz OKJIDBAGYKPWOP-UHFFFAOYSA-N -1 0 336.482 3.729 20 0 EHADRM COc1ccc(Cl)cc1C(=O)NCCCCCCCC(=O)[O-] ZINC000146672108 1034888177 /nfs/dbraw/zinc/88/81/77/1034888177.db2.gz BCVJLMOGXVKLMT-UHFFFAOYSA-N -1 0 327.808 3.504 20 0 EHADRM C[C@H](Oc1cnc2ccccc2c1)C(=O)Nc1cccc(Cl)c1[O-] ZINC000472427855 1034891777 /nfs/dbraw/zinc/89/17/77/1034891777.db2.gz OXEKPMUMTGOSAM-NSHDSACASA-N -1 0 342.782 4.000 20 0 EHADRM O=S(=O)([N-]c1cccc(COCC2CC2)c1)c1sccc1F ZINC000450990517 1035003579 /nfs/dbraw/zinc/00/35/79/1035003579.db2.gz JDWDLUHHOFLFFB-UHFFFAOYSA-N -1 0 341.429 3.615 20 0 EHADRM Cc1csc(S(=O)(=O)[N-]c2ccc(Cl)c(CN(C)C)c2)c1 ZINC000451019445 1035014194 /nfs/dbraw/zinc/01/41/94/1035014194.db2.gz RXVIIQUXMXXYHE-UHFFFAOYSA-N -1 0 344.889 3.572 20 0 EHADRM COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2cc(C)cs2)c1 ZINC000451017954 1035014929 /nfs/dbraw/zinc/01/49/29/1035014929.db2.gz WEDOWXMCFYQUJG-UHFFFAOYSA-N -1 0 341.454 3.653 20 0 EHADRM CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2sccc2F)cc1 ZINC000451015404 1035032866 /nfs/dbraw/zinc/03/28/66/1035032866.db2.gz JYOVZWOCBXCWKK-UHFFFAOYSA-N -1 0 329.418 3.865 20 0 EHADRM CCCCn1ncc([N-]S(=O)(=O)c2sccc2F)c1C(C)C ZINC000451036084 1035037988 /nfs/dbraw/zinc/03/79/88/1035037988.db2.gz DPOKYPNGNXRGNM-UHFFFAOYSA-N -1 0 345.465 3.808 20 0 EHADRM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(Br)o2)c(C)c1 ZINC000570439165 1035261931 /nfs/dbraw/zinc/26/19/31/1035261931.db2.gz SPHDXIXOOOYFHS-UHFFFAOYSA-N -1 0 344.230 3.768 20 0 EHADRM Cc1cscc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000161610461 1035281296 /nfs/dbraw/zinc/28/12/96/1035281296.db2.gz SOZZJBCFFPHYOU-UHFFFAOYSA-N -1 0 332.244 3.620 20 0 EHADRM O=S(=O)([N-]c1ccnn1C1CCCCC1)c1ccc(Cl)cc1 ZINC000066241887 1035313732 /nfs/dbraw/zinc/31/37/32/1035313732.db2.gz OUMKFWZBUXCUCM-UHFFFAOYSA-N -1 0 339.848 3.843 20 0 EHADRM CO[C@@H](C)c1nc(=Nc2cccc(-c3nc(C)cs3)c2)s[n-]1 ZINC000549001811 1035432994 /nfs/dbraw/zinc/43/29/94/1035432994.db2.gz BCLLTGYEKGADNH-JTQLQIEISA-N -1 0 332.454 3.843 20 0 EHADRM Cc1cc(C)cc(CCC(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)c1 ZINC000431773391 1035470115 /nfs/dbraw/zinc/47/01/15/1035470115.db2.gz OUCIDNOXLXQWPR-IBGZPJMESA-N -1 0 339.435 3.877 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)NCCC1CC(F)(F)C1)C1CCCCC1 ZINC000414088218 1035473940 /nfs/dbraw/zinc/47/39/40/1035473940.db2.gz JDTNKEWRFQLAAO-MRXNPFEDSA-N -1 0 331.403 3.599 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2ncccc2C)cc1Cl ZINC000185614616 1035501599 /nfs/dbraw/zinc/50/15/99/1035501599.db2.gz UIFXLFGKIKOFHB-UHFFFAOYSA-N -1 0 328.846 3.566 20 0 EHADRM CC(C)(CNC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)C1=CCCC1 ZINC000308769076 1035542374 /nfs/dbraw/zinc/54/23/74/1035542374.db2.gz MLFKQEPFGDQESX-FQEVSTJZSA-N -1 0 329.440 3.672 20 0 EHADRM CCCn1nc(C)c(-c2cccc3c(C(=O)[O-])cc(=O)[nH]c23)c1C ZINC000571537890 1035549571 /nfs/dbraw/zinc/54/95/71/1035549571.db2.gz MOGFEFLPEZAQGV-UHFFFAOYSA-N -1 0 325.368 3.529 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)N[C@@H](CC(=O)[O-])C2CCCCC2)c1 ZINC000540703554 1035583017 /nfs/dbraw/zinc/58/30/17/1035583017.db2.gz GGISOFRRBJGKKC-KSSFIOAISA-N -1 0 347.455 3.729 20 0 EHADRM COc1cccc([C@H](C)CC(=O)N[C@H](CC(=O)[O-])C2CCCCC2)c1 ZINC000540703652 1035583500 /nfs/dbraw/zinc/58/35/00/1035583500.db2.gz GGISOFRRBJGKKC-RDTXWAMCSA-N -1 0 347.455 3.729 20 0 EHADRM CCO[C@H](CC)c1noc(-c2ccc(Br)cc2[O-])n1 ZINC000157373608 1035603716 /nfs/dbraw/zinc/60/37/16/1035603716.db2.gz WZZPSLQAEQQNPF-LLVKDONJSA-N -1 0 327.178 3.692 20 0 EHADRM Cc1onc(-c2cccnc2)c1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000376254867 1035617908 /nfs/dbraw/zinc/61/79/08/1035617908.db2.gz MWBOHGQSVRMVKL-UHFFFAOYSA-N -1 0 347.733 3.795 20 0 EHADRM O=[N+]([O-])c1cc(Cl)cc(/C=N/CCOc2ccc(F)cc2)c1[O-] ZINC000029736766 1035658455 /nfs/dbraw/zinc/65/84/55/1035658455.db2.gz VFPDSHGGHAZTKU-GIJQJNRQSA-N -1 0 338.722 3.591 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000540775143 1035672601 /nfs/dbraw/zinc/67/26/01/1035672601.db2.gz HRYPMKIUFZWLRQ-HNNXBMFYSA-N -1 0 349.496 3.956 20 0 EHADRM CC(C)Cc1n[n-]c(=NCc2ccccc2OCc2ccccc2)o1 ZINC000540791509 1035682435 /nfs/dbraw/zinc/68/24/35/1035682435.db2.gz BATUEZGTVRENGY-UHFFFAOYSA-N -1 0 337.423 3.881 20 0 EHADRM Fc1ccc(Cc2n[n-]c(=NCc3ccc(F)cc3Cl)o2)cc1 ZINC000540791627 1035682793 /nfs/dbraw/zinc/68/27/93/1035682793.db2.gz UPLRGXDNUDCWAF-UHFFFAOYSA-N -1 0 335.741 3.626 20 0 EHADRM O=C(N[C@@H](c1ccccc1)c1cccnc1)c1cc(F)c([O-])c(F)c1 ZINC000186779578 1035701830 /nfs/dbraw/zinc/70/18/30/1035701830.db2.gz LDDLFCGGYGVNGK-KRWDZBQOSA-N -1 0 340.329 3.585 20 0 EHADRM CCCc1ccccc1NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000173915347 1035707414 /nfs/dbraw/zinc/70/74/14/1035707414.db2.gz QSSQZLHYXLITCE-UHFFFAOYSA-N -1 0 335.407 3.679 20 0 EHADRM O=S(=O)([N-]c1scnc1C1CC1)c1ccc2c(c1)CCCC2 ZINC000534972020 1035845015 /nfs/dbraw/zinc/84/50/15/1035845015.db2.gz PRDAESCWCPRFNK-UHFFFAOYSA-N -1 0 334.466 3.700 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1ccc(Oc2cccc(F)c2)cc1)C(=O)[O-] ZINC000571990540 1035860972 /nfs/dbraw/zinc/86/09/72/1035860972.db2.gz PMHRHFXMEDKRGN-GOSISDBHSA-N -1 0 346.358 3.993 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccnc2C)cc1C(F)(F)F ZINC000174329998 1035897716 /nfs/dbraw/zinc/89/77/16/1035897716.db2.gz UQJQYHNOOMZSDV-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM CC(C)Cn1ncc(C(=O)Nc2ccc(F)c(F)c2[O-])c1C1CC1 ZINC000457295770 1035953608 /nfs/dbraw/zinc/95/36/08/1035953608.db2.gz OOUXYMLGJRXPCB-UHFFFAOYSA-N -1 0 335.354 3.653 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCc2nc3ccccc3o2)ccc1Cl ZINC000642212200 1035999605 /nfs/dbraw/zinc/99/96/05/1035999605.db2.gz IBGDEAXGDMEMMX-UHFFFAOYSA-N -1 0 344.754 3.751 20 0 EHADRM O=S(=O)([N-]c1cnc2c(c1)CCCC2)c1csc2ccccc21 ZINC000508225325 1036048465 /nfs/dbraw/zinc/04/84/65/1036048465.db2.gz XVKOUGQQDJKKGB-UHFFFAOYSA-N -1 0 344.461 3.976 20 0 EHADRM Cc1cccc(Oc2ccc(NC(=O)NC(C)(C)C(=O)[O-])cc2)c1 ZINC000572230940 1036048649 /nfs/dbraw/zinc/04/86/49/1036048649.db2.gz VWISNCJWRWHVCV-UHFFFAOYSA-N -1 0 328.368 3.772 20 0 EHADRM COc1cc(C(=O)[O-])sc1-c1ccc(O[C@H]2CCOC2)c(C)c1 ZINC000572304747 1036062151 /nfs/dbraw/zinc/06/21/51/1036062151.db2.gz YWNZRAZRHVAPHL-LBPRGKRZSA-N -1 0 334.393 3.598 20 0 EHADRM Cc1cccc(COc2cccc(C(=O)N[C@@H](C)CCC(=O)[O-])c2)c1 ZINC000237535815 1036088972 /nfs/dbraw/zinc/08/89/72/1036088972.db2.gz HDALCCTUQDBOCO-HNNXBMFYSA-N -1 0 341.407 3.557 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)c1cscc1C(F)F ZINC000909668593 1036090397 /nfs/dbraw/zinc/09/03/97/1036090397.db2.gz KTEJPJFJEFYLPD-LBPRGKRZSA-N -1 0 331.384 3.839 20 0 EHADRM CC[C@H](CC(=O)N=c1nc(-c2cccnc2)[n-]s1)c1ccccc1 ZINC000535174251 1036138757 /nfs/dbraw/zinc/13/87/57/1036138757.db2.gz RBFQDSHYZMSNEK-CYBMUJFWSA-N -1 0 338.436 3.544 20 0 EHADRM CCCc1n[n-]c(=NCc2ccc(Oc3ccc(OC)cc3)cc2)o1 ZINC000541287063 1036167267 /nfs/dbraw/zinc/16/72/67/1036167267.db2.gz NWKPMGXJOLGVKG-UHFFFAOYSA-N -1 0 339.395 3.857 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Nc1cc(F)ccc1Cl ZINC000318501084 1036320842 /nfs/dbraw/zinc/32/08/42/1036320842.db2.gz FBTJIEHRBAWLQR-NSHDSACASA-N -1 0 328.771 3.730 20 0 EHADRM CCn1nccc1[N-]S(=O)(=O)c1ccc2oc3ccccc3c2c1 ZINC000589264923 1036327585 /nfs/dbraw/zinc/32/75/85/1036327585.db2.gz HEFVAINWPXPGIU-UHFFFAOYSA-N -1 0 341.392 3.603 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)N(c2ccccc2)c2ccccc2)C1 ZINC000263145560 1036394511 /nfs/dbraw/zinc/39/45/11/1036394511.db2.gz HCDKRWQPUKZIHI-JKSUJKDBSA-N -1 0 338.407 3.987 20 0 EHADRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(F)ccc1OC(C)C ZINC000589437301 1036415306 /nfs/dbraw/zinc/41/53/06/1036415306.db2.gz HQFRWYRTXQRNNR-UHFFFAOYSA-N -1 0 341.379 3.861 20 0 EHADRM CC[C@@](CNC(=O)c1c(C)cc(F)cc1C)(C(=O)[O-])c1ccccc1 ZINC000572663879 1036452476 /nfs/dbraw/zinc/45/24/76/1036452476.db2.gz ZLOMBHMMXHDGMQ-FQEVSTJZSA-N -1 0 343.398 3.605 20 0 EHADRM CC(C)c1n[n-]c(=N[C@H]2CSc3ccc(Br)cc32)o1 ZINC000572711058 1036464426 /nfs/dbraw/zinc/46/44/26/1036464426.db2.gz FLYSQCWVRRZWNX-JTQLQIEISA-N -1 0 340.246 3.636 20 0 EHADRM COC[C@H](C)Oc1cccc(-c2cccc(C3(C(=O)[O-])CC3)c2)c1 ZINC000572781700 1036496057 /nfs/dbraw/zinc/49/60/57/1036496057.db2.gz YYTNKNTYVSVZPB-AWEZNQCLSA-N -1 0 326.392 3.884 20 0 EHADRM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)NCc1ccc(O)c(F)c1 ZINC000175804612 1036573706 /nfs/dbraw/zinc/57/37/06/1036573706.db2.gz HPUREUZTVVUCQW-CJNGLKHVSA-N -1 0 328.387 3.619 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000263173946 1036602619 /nfs/dbraw/zinc/60/26/19/1036602619.db2.gz JQEXMCGHNRQKLX-ONGXEEELSA-N -1 0 335.400 3.674 20 0 EHADRM C[C@@H](c1cccs1)N(C)C(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000319868427 1036643219 /nfs/dbraw/zinc/64/32/19/1036643219.db2.gz SSEPIYTYEUJRMF-SCLBCKFNSA-N -1 0 331.437 3.700 20 0 EHADRM COc1cc(-c2cncc(C(F)(F)F)c2)ccc1CCC(=O)[O-] ZINC000518563976 1036644154 /nfs/dbraw/zinc/64/41/54/1036644154.db2.gz BLWWHLZBABRLJJ-UHFFFAOYSA-N -1 0 325.286 3.793 20 0 EHADRM CC(C)(C)[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(F)(F)F ZINC000541828428 1036680957 /nfs/dbraw/zinc/68/09/57/1036680957.db2.gz ZOYUBOZMYFRSDI-SNVBAGLBSA-N -1 0 347.761 3.734 20 0 EHADRM CC(C)(CNC(=O)c1cc(C(=O)[O-])co1)Cc1cccc(Cl)c1 ZINC000541834212 1036688753 /nfs/dbraw/zinc/68/87/53/1036688753.db2.gz BUORTAHECOTIAP-UHFFFAOYSA-N -1 0 335.787 3.630 20 0 EHADRM COc1ccc(O)c(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)c1 ZINC000539407055 1036720440 /nfs/dbraw/zinc/72/04/40/1036720440.db2.gz QKEJCHHPZHCHMQ-UHFFFAOYSA-N -1 0 348.207 3.508 20 0 EHADRM CC(C)(CCc1ccccc1)NC(=O)c1cc(F)c(F)cc1C(=O)[O-] ZINC000327966224 1036737477 /nfs/dbraw/zinc/73/74/77/1036737477.db2.gz DVGUOZOTBACPFS-UHFFFAOYSA-N -1 0 347.361 3.804 20 0 EHADRM CO[C@H](C)c1nsc([N-]c2ccn([C@@H](C)c3ccccc3)n2)n1 ZINC000669823865 1036768544 /nfs/dbraw/zinc/76/85/44/1036768544.db2.gz ZJRZPDYQPJLFGU-NWDGAFQWSA-N -1 0 329.429 3.795 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)C(C)(C)c2cccc(F)c2)cc1 ZINC000263327346 1036778358 /nfs/dbraw/zinc/77/83/58/1036778358.db2.gz OZTOACGACGDZHM-LBPRGKRZSA-N -1 0 329.371 3.930 20 0 EHADRM CCCc1nc(C)c(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)s1 ZINC000263334991 1036794129 /nfs/dbraw/zinc/79/41/29/1036794129.db2.gz QSAFJYZQAAYUDH-JTQLQIEISA-N -1 0 332.425 3.844 20 0 EHADRM C[C@H](NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])c1ccsc1 ZINC000669918448 1036796425 /nfs/dbraw/zinc/79/64/25/1036796425.db2.gz HCVUZCBYPUBRKM-JTQLQIEISA-N -1 0 347.827 3.784 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)C2(Cc3ccccc3F)CC2)c1 ZINC000263355832 1036806333 /nfs/dbraw/zinc/80/63/33/1036806333.db2.gz WXXFYZWSUGTAHP-ZDUSSCGKSA-N -1 0 341.382 3.975 20 0 EHADRM FC(F)(F)Cc1n[n-]c(=NCc2csc3ccccc23)s1 ZINC000539601231 1036981549 /nfs/dbraw/zinc/98/15/49/1036981549.db2.gz UJNTWESVQIAWGH-UHFFFAOYSA-N -1 0 329.372 3.892 20 0 EHADRM CCC(CC)CC(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000151534182 1037013839 /nfs/dbraw/zinc/01/38/39/1037013839.db2.gz FPNIPANZXHFVMX-UHFFFAOYSA-N -1 0 344.285 3.686 20 0 EHADRM O=C([N-]c1nnc(-c2ccco2)s1)c1cc(-c2ccccc2)on1 ZINC000053210304 1037056887 /nfs/dbraw/zinc/05/68/87/1037056887.db2.gz FPOOAUUXUKOYEQ-UHFFFAOYSA-N -1 0 338.348 3.705 20 0 EHADRM CC(C)CCc1n[n-]c(=NCc2csc(-c3ccccc3)n2)o1 ZINC000539692281 1037082963 /nfs/dbraw/zinc/08/29/63/1037082963.db2.gz MONBXUXNKBUDQC-UHFFFAOYSA-N -1 0 328.441 3.816 20 0 EHADRM CC(C)[C@@H](SCc1ccccc1)C(=O)[N-]OCCC(F)(F)F ZINC000162951886 1037087094 /nfs/dbraw/zinc/08/70/94/1037087094.db2.gz MIVTXCNTRNPQHR-CYBMUJFWSA-N -1 0 335.391 3.945 20 0 EHADRM CC(C)(C)c1n[n-]c(=NCc2nc(-c3ccccc3)cs2)s1 ZINC000539708746 1037097021 /nfs/dbraw/zinc/09/70/21/1037097021.db2.gz AELLIJYKUPLAPV-UHFFFAOYSA-N -1 0 330.482 3.993 20 0 EHADRM c1csc([C@@H](N=c2[n-]c(-c3ccccc3)no2)c2ccccc2)n1 ZINC000590924582 1037124804 /nfs/dbraw/zinc/12/48/04/1037124804.db2.gz BVHAKBORHNQTTP-HNNXBMFYSA-N -1 0 334.404 3.817 20 0 EHADRM O=S(=O)([N-]c1n[nH]c2ccccc21)c1cc(Cl)cc(Cl)c1 ZINC000054433035 1037128856 /nfs/dbraw/zinc/12/88/56/1037128856.db2.gz NKGBQMFTYHAIPV-UHFFFAOYSA-N -1 0 342.207 3.671 20 0 EHADRM CCc1ccc(S(=O)(=O)C=C([O-])c2c(C)cc(C)cc2C)cc1 ZINC000573038460 1037165215 /nfs/dbraw/zinc/16/52/15/1037165215.db2.gz GDOFEEIYLXHHOR-UHFFFAOYSA-N -1 0 330.449 3.831 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)NC/C=C\c1ccccc1)C1CCCCC1 ZINC000539772889 1037174339 /nfs/dbraw/zinc/17/43/39/1037174339.db2.gz QMFPSADJDMJMQQ-WUQYLLKWSA-N -1 0 329.440 3.877 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N=c1ncn(C(C)(C)C)[n-]1 ZINC000542246199 1037209049 /nfs/dbraw/zinc/20/90/49/1037209049.db2.gz LWVBYICQPBNMNY-UHFFFAOYSA-N -1 0 348.406 3.915 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)NCC2=CCCCC2)CC1 ZINC000666548888 1037213321 /nfs/dbraw/zinc/21/33/21/1037213321.db2.gz OHLUCJIJSZGVTB-UHFFFAOYSA-N -1 0 342.439 3.774 20 0 EHADRM Cc1ccc([C@@H](C)N(C)C(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC000666566757 1037214530 /nfs/dbraw/zinc/21/45/30/1037214530.db2.gz UTLUBLXCUQGVLL-CQSZACIVSA-N -1 0 326.396 3.596 20 0 EHADRM CCOC(=O)c1cccc(N(CC)C(=O)c2cc(C)ccc2O)c1 ZINC000539841741 1037268534 /nfs/dbraw/zinc/26/85/34/1037268534.db2.gz FSOADQWKQZNTSY-UHFFFAOYSA-N -1 0 327.380 3.544 20 0 EHADRM O=C(N[C@H]1CCSc2ccc(F)cc21)c1cc(F)c([O-])c(F)c1 ZINC000176978787 1037299015 /nfs/dbraw/zinc/29/90/15/1037299015.db2.gz MJMRKYLLXXLFLP-ZDUSSCGKSA-N -1 0 339.338 3.776 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000659122201 1037305316 /nfs/dbraw/zinc/30/53/16/1037305316.db2.gz POUIXBAVGRIVTK-UHFFFAOYSA-N -1 0 349.333 3.584 20 0 EHADRM CC(C)N(C(=O)c1cccc(Br)c1[O-])C1CCCC1 ZINC000539889287 1037313844 /nfs/dbraw/zinc/31/38/44/1037313844.db2.gz DHMOMTPWLNROJO-UHFFFAOYSA-N -1 0 326.234 3.948 20 0 EHADRM COc1ccc2nc(NC(=O)c3cc(F)c([O-])c(F)c3)sc2c1 ZINC000176990026 1037314344 /nfs/dbraw/zinc/31/43/44/1037314344.db2.gz LKBGSRORCRQBHD-UHFFFAOYSA-N -1 0 336.319 3.541 20 0 EHADRM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000177008077 1037320990 /nfs/dbraw/zinc/32/09/90/1037320990.db2.gz IJCDTWQYTHOOAY-MRVPVSSYSA-N -1 0 327.277 3.782 20 0 EHADRM C[C@H](CC(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1)[C@H]1CCCO1 ZINC000659158467 1037383274 /nfs/dbraw/zinc/38/32/74/1037383274.db2.gz DPEDWDMJAUIFKS-DJIMGWMZSA-N -1 0 339.476 3.512 20 0 EHADRM COc1ccccc1[C@@H](CC(C)C)NC(=O)c1cc(C(=O)[O-])oc1C ZINC000659155008 1037385554 /nfs/dbraw/zinc/38/55/54/1037385554.db2.gz XHNKNLYYOXKTOR-OAHLLOKOSA-N -1 0 345.395 3.812 20 0 EHADRM CC(C)c1ccc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)cc1 ZINC000659167291 1037404305 /nfs/dbraw/zinc/40/43/05/1037404305.db2.gz CVQBJVPPCSNECR-KGLIPLIRSA-N -1 0 343.345 3.535 20 0 EHADRM C[C@]1(Cc2ccccc2Cl)CCCN1C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000659171646 1037412048 /nfs/dbraw/zinc/41/20/48/1037412048.db2.gz DHEGHKBIJZSQAT-BIENJYKASA-N -1 0 349.858 3.765 20 0 EHADRM C/C=C\C[C@H](NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000573283120 1037421129 /nfs/dbraw/zinc/42/11/29/1037421129.db2.gz SOURSCLVASWOJV-MRLVOGDKSA-N -1 0 330.211 3.633 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2cc(C)cc(Cl)c2)n1 ZINC000659183747 1037434872 /nfs/dbraw/zinc/43/48/72/1037434872.db2.gz YIKKARSBGWJXKU-CYBMUJFWSA-N -1 0 335.791 3.523 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)[C@H](C)c2ccc(CC)cc2)n1 ZINC000659188922 1037441284 /nfs/dbraw/zinc/44/12/84/1037441284.db2.gz WYYQCUDKDZYCHB-CJNGLKHVSA-N -1 0 343.427 3.614 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3cccc(F)c3o2)[C@H]2CCCC[C@H]12 ZINC000659190573 1037443665 /nfs/dbraw/zinc/44/36/65/1037443665.db2.gz BVUHOVJSRMHVAU-NFAWXSAZSA-N -1 0 345.370 3.677 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2coc3ccc(F)cc23)[C@@H]2CCCC[C@H]12 ZINC000659187943 1037451285 /nfs/dbraw/zinc/45/12/85/1037451285.db2.gz AWCMAEXZAQLNDN-XJKCOSOUSA-N -1 0 345.370 3.677 20 0 EHADRM Cc1cc(C)n(Cc2ccc(-c3cncc(C4(C(=O)[O-])CC4)c3)cc2)n1 ZINC000519834902 1037451596 /nfs/dbraw/zinc/45/15/96/1037451596.db2.gz WAUTUTIRZSDPIW-UHFFFAOYSA-N -1 0 347.418 3.726 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)cc1Cl ZINC000659196410 1037456097 /nfs/dbraw/zinc/45/60/97/1037456097.db2.gz VGFWLGKQHPCUCA-IJEWVQPXSA-N -1 0 335.831 3.754 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(Cl)s2)[C@@H]2CCCC[C@@H]12 ZINC000659192790 1037459539 /nfs/dbraw/zinc/45/95/39/1037459539.db2.gz HDVNRPAYQIRWFY-HBNTYKKESA-N -1 0 327.833 3.507 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(C3CC3)cc2)[C@H]2CCCC[C@@H]12 ZINC000659193792 1037462643 /nfs/dbraw/zinc/46/26/43/1037462643.db2.gz QOUQNEPUOPVNBN-KSZLIROESA-N -1 0 327.424 3.670 20 0 EHADRM O=C([O-])C[C@@H](CNC(=O)CCCc1ccc2ccccc2c1)C1CC1 ZINC000659209099 1037476861 /nfs/dbraw/zinc/47/68/61/1037476861.db2.gz MOUZSGOJZSDUPJ-IBGZPJMESA-N -1 0 339.435 3.780 20 0 EHADRM C[C@H](CCc1cccn1C)N=c1[n-]c(-c2cccc(Cl)c2)no1 ZINC000462903910 1037531858 /nfs/dbraw/zinc/53/18/58/1037531858.db2.gz TVZWMVTTXRQLJA-GFCCVEGCSA-N -1 0 330.819 3.584 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)C1CCC(c2ccccc2)CC1 ZINC000659235989 1037550276 /nfs/dbraw/zinc/55/02/76/1037550276.db2.gz DSJNKVQUWGVHJE-QCECMTGHSA-N -1 0 329.440 3.720 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000659236254 1037551033 /nfs/dbraw/zinc/55/10/33/1037551033.db2.gz RPNCIFZISAMITA-MAUKXSAKSA-N -1 0 347.798 3.973 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)NCc1cc(F)ccc1F)C1CCCCC1 ZINC000591690869 1037557901 /nfs/dbraw/zinc/55/79/01/1037557901.db2.gz QEASHHWNRRBBBF-SFHVURJKSA-N -1 0 339.382 3.642 20 0 EHADRM COc1cc(C(=O)N2CCC(C(C)(C)C)CC2)cc(Cl)c1O ZINC000472924757 1037603050 /nfs/dbraw/zinc/60/30/50/1037603050.db2.gz LHNWDTYHLWHQEG-UHFFFAOYSA-N -1 0 325.836 3.953 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N(CC)CC(C)(C)C)n1 ZINC000463021920 1037669898 /nfs/dbraw/zinc/66/98/98/1037669898.db2.gz TZQAICRLFLSHHV-UHFFFAOYSA-N -1 0 329.444 3.649 20 0 EHADRM Cc1ccc(-c2cc(CN3Cc4ccccc4C[C@@H]3C(=O)[O-])on2)cc1 ZINC000573654329 1037673237 /nfs/dbraw/zinc/67/32/37/1037673237.db2.gz OIGHZSVPRSCOFR-HXUWFJFHSA-N -1 0 348.402 3.662 20 0 EHADRM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc3ccccc3n2)cc1 ZINC000540211469 1037695099 /nfs/dbraw/zinc/69/50/99/1037695099.db2.gz SMTHNBLWIQSFPY-UHFFFAOYSA-N -1 0 342.420 3.823 20 0 EHADRM Cc1ccc(S(=O)(=O)C=C([O-])c2cc(C)c(F)c(C)c2)cc1C ZINC000491893594 1037751172 /nfs/dbraw/zinc/75/11/72/1037751172.db2.gz PNMUGZNFPCCDHW-UHFFFAOYSA-N -1 0 334.412 3.716 20 0 EHADRM CC(C)c1ccc(Nc2nnc(SCc3n[nH]c(=O)[n-]3)s2)cc1 ZINC000540349204 1037852307 /nfs/dbraw/zinc/85/23/07/1037852307.db2.gz XEJZQIQGOUVSBX-UHFFFAOYSA-N -1 0 348.457 3.521 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)Cc2ccc3ccccc3c2)c2ccccc21 ZINC000669436181 1037865356 /nfs/dbraw/zinc/86/53/56/1037865356.db2.gz BOUIGUAQPZMUFG-IBGZPJMESA-N -1 0 345.398 3.987 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCC[C@H]1C1CCCCC1 ZINC000183439802 1037951032 /nfs/dbraw/zinc/95/10/32/1037951032.db2.gz MAAMQIIBYFDGAK-ZDUSSCGKSA-N -1 0 327.346 3.994 20 0 EHADRM O=C(NCc1cccc(Cl)c1)c1cccc(Br)c1[O-] ZINC000592448070 1037983492 /nfs/dbraw/zinc/98/34/92/1037983492.db2.gz HQYWFHWKAZRNQX-UHFFFAOYSA-N -1 0 340.604 3.738 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccccc2C)nn1-c1ccc(C)cc1 ZINC000540499028 1038019032 /nfs/dbraw/zinc/01/90/32/1038019032.db2.gz VXACJRLFVSTUBO-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM COc1ccnc(CSc2n[n-]c(=Nc3cccc(C)c3)s2)c1 ZINC000592563253 1038036417 /nfs/dbraw/zinc/03/64/17/1038036417.db2.gz GVRWXTIPYVFDAH-UHFFFAOYSA-N -1 0 344.465 3.708 20 0 EHADRM Cc1nc(C)c([C@H](C)N(C)C(=O)/C=C\c2ccc(C(=O)[O-])cc2)s1 ZINC000492184547 1038073000 /nfs/dbraw/zinc/07/30/00/1038073000.db2.gz VBMOFMODFQFSKV-UMAGTOLTSA-N -1 0 344.436 3.691 20 0 EHADRM CCN(Cc1nc(=O)c2sccc2[n-]1)Cc1ccccc1Cl ZINC000042157179 1038195403 /nfs/dbraw/zinc/19/54/03/1038195403.db2.gz ISQGSGUVGZIWEG-UHFFFAOYSA-N -1 0 333.844 3.660 20 0 EHADRM CC(C)(C)[C@@H]1CCCN1C(=O)c1cc(F)cc(Br)c1[O-] ZINC000416147695 1038228013 /nfs/dbraw/zinc/22/80/13/1038228013.db2.gz BQNGQPJFJDMJLT-LBPRGKRZSA-N -1 0 344.224 3.945 20 0 EHADRM C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(F)cc(Br)c1[O-] ZINC000416150154 1038231997 /nfs/dbraw/zinc/23/19/97/1038231997.db2.gz JBHWVOBFTYZMDZ-RKDXNWHRSA-N -1 0 330.197 3.697 20 0 EHADRM C[C@H]1CCCCCN1C(=O)c1cc(F)cc(Br)c1[O-] ZINC000416164807 1038262739 /nfs/dbraw/zinc/26/27/39/1038262739.db2.gz BJOLTKQWEUNCGC-VIFPVBQESA-N -1 0 330.197 3.699 20 0 EHADRM Cc1cccc([C@@H]2CCCN2Cc2c([O-])nnn2-c2ccccc2)c1C ZINC000461347148 1038343591 /nfs/dbraw/zinc/34/35/91/1038343591.db2.gz PGKOOIQNICCIPQ-IBGZPJMESA-N -1 0 348.450 3.927 20 0 EHADRM CCOc1ccc(CN=c2[n-]nc(Cc3cccc(F)c3)s2)cc1 ZINC000538506833 1038347089 /nfs/dbraw/zinc/34/70/89/1038347089.db2.gz DXDRAMCWIAFDSI-UHFFFAOYSA-N -1 0 343.427 3.701 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)N[C@H](CC(=O)[O-])C1CCCCC1 ZINC000538512215 1038353394 /nfs/dbraw/zinc/35/33/94/1038353394.db2.gz HESBYXRKRIDECG-RHSMWYFYSA-N -1 0 339.476 3.654 20 0 EHADRM CCCCCc1n[n-]c(=NCc2c[nH]c(-c3ccccc3)n2)s1 ZINC000538608383 1038433699 /nfs/dbraw/zinc/43/36/99/1038433699.db2.gz PHVKVFPMYOYGRU-UHFFFAOYSA-N -1 0 327.457 3.695 20 0 EHADRM C[C@@H]1[C@H](C(=O)Nc2cc(Br)cc(Cl)c2[O-])C1(F)F ZINC000461455688 1038439046 /nfs/dbraw/zinc/43/90/46/1038439046.db2.gz DXFKXCLXRNLQDJ-SPGJFGJESA-N -1 0 340.551 3.648 20 0 EHADRM CCOC(=O)c1ccc(NC(=O)CCCc2sccc2C)c(O)c1 ZINC000538872883 1038577132 /nfs/dbraw/zinc/57/71/32/1038577132.db2.gz VOZWEWCBYXJECK-UHFFFAOYSA-N -1 0 347.436 3.900 20 0 EHADRM CCCc1nc(=NCc2cccnc2Oc2cccc(F)c2)s[n-]1 ZINC000461776140 1038604284 /nfs/dbraw/zinc/60/42/84/1038604284.db2.gz LTXPZTYZXYHLDV-UHFFFAOYSA-N -1 0 344.415 3.851 20 0 EHADRM Cc1nc2sc(-c3ccccc3)cc2c(N2CC[C@@H](C(=O)[O-])C2)n1 ZINC000416393325 1038623755 /nfs/dbraw/zinc/62/37/55/1038623755.db2.gz UOGZTUQFJGHGQY-CYBMUJFWSA-N -1 0 339.420 3.578 20 0 EHADRM CCC(CC)[C@H]1C[C@H](NC(=O)c2ccc3[n-]c(=S)oc3c2)CCO1 ZINC000183225317 1038685237 /nfs/dbraw/zinc/68/52/37/1038685237.db2.gz DONFSSCNWHTSET-UKRRQHHQSA-N -1 0 348.468 3.830 20 0 EHADRM CS[C@H](C)CCC(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000539135750 1038707116 /nfs/dbraw/zinc/70/71/16/1038707116.db2.gz JILFUYAYYKIZGX-SECBINFHSA-N -1 0 341.889 3.751 20 0 EHADRM CCc1ccc(OC(=O)c2cc(F)c(F)c([O-])c2F)c(OC)c1 ZINC000183574740 1038721107 /nfs/dbraw/zinc/72/11/07/1038721107.db2.gz KBCPWEZMUFNBGX-UHFFFAOYSA-N -1 0 326.270 3.600 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cccc3ccsc32)[C@@H]2CCC[C@@H]21 ZINC000910239201 1038785019 /nfs/dbraw/zinc/78/50/19/1038785019.db2.gz FFQWDSNUHJZWTM-UMVBOHGHSA-N -1 0 329.421 3.617 20 0 EHADRM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)CC(C)(C)C1CCCCC1 ZINC000910303377 1038817748 /nfs/dbraw/zinc/81/77/48/1038817748.db2.gz PZJCKTDHYDOEFT-UHFFFAOYSA-N -1 0 349.475 3.910 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N(CC)CC2CC2)s1)c1ccccc1 ZINC000485260611 1038822365 /nfs/dbraw/zinc/82/23/65/1038822365.db2.gz ODDJHFWYXHBQNS-OAHLLOKOSA-N -1 0 344.484 3.766 20 0 EHADRM CC(C)c1ccc(-c2nc(CSc3n[n-]c(=N)n3C)cs2)cc1 ZINC000580328362 1038837485 /nfs/dbraw/zinc/83/74/85/1038837485.db2.gz SROSNKNETDLODJ-UHFFFAOYSA-N -1 0 345.497 3.767 20 0 EHADRM Cc1cccc([C@H](NCc2ccn(C3CCCC3)n2)C(=O)[O-])c1C ZINC000905399420 1038856504 /nfs/dbraw/zinc/85/65/04/1038856504.db2.gz IHEBPTAAAKOBJQ-SFHVURJKSA-N -1 0 327.428 3.531 20 0 EHADRM O=C([O-])C1(CNc2ncnc3scc(-c4cccs4)c32)CC1 ZINC000910429595 1038907497 /nfs/dbraw/zinc/90/74/97/1038907497.db2.gz KLMKMLVUKYUGQR-UHFFFAOYSA-N -1 0 331.422 3.697 20 0 EHADRM CCOCCO[N-]C(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1 ZINC000184787163 1038919832 /nfs/dbraw/zinc/91/98/32/1038919832.db2.gz XYOXCYXBVGDZEN-KRWDZBQOSA-N -1 0 349.427 3.743 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)c2cccc(C3CC3)c2)c1 ZINC000568900937 1038922469 /nfs/dbraw/zinc/92/24/69/1038922469.db2.gz HRZZJMUHXVAFKE-SFHVURJKSA-N -1 0 339.391 3.518 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N2C[C@@H](C)[C@H]2c2ccccc2)s1 ZINC000479959128 1038927600 /nfs/dbraw/zinc/92/76/00/1038927600.db2.gz DFJAOEITNOHPGL-CJNGLKHVSA-N -1 0 344.484 3.918 20 0 EHADRM CCCCn1ncc(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)c1C(C)C ZINC000910656640 1039004688 /nfs/dbraw/zinc/00/46/88/1039004688.db2.gz NUCCHYROQBPWJC-CLFYSBASSA-N -1 0 345.399 3.750 20 0 EHADRM CCCCn1ncc(NC(=O)c2ccc(C(=O)[O-])s2)c1C(C)C ZINC000910656297 1039005559 /nfs/dbraw/zinc/00/55/59/1039005559.db2.gz LHXQQXRABGQGEZ-UHFFFAOYSA-N -1 0 335.429 3.819 20 0 EHADRM CCc1c(NC(=O)c2ccc(/C=C\C(=O)[O-])o2)cnn1C(CC)CC ZINC000910655911 1039005744 /nfs/dbraw/zinc/00/57/44/1039005744.db2.gz HMJAQWGBWTYPKD-NTMALXAHSA-N -1 0 345.399 3.750 20 0 EHADRM Cc1cc(NC(=O)c2ccc(/C=C/C(=O)[O-])o2)nn1C1CCCCC1 ZINC000910666370 1039009573 /nfs/dbraw/zinc/00/95/73/1039009573.db2.gz ULZVZVWBKNMSHK-CSKARUKUSA-N -1 0 343.383 3.640 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c(O)c1 ZINC000485398323 1039010434 /nfs/dbraw/zinc/01/04/34/1039010434.db2.gz JMXKSDFVKJYDEJ-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM Cc1cn(C2CCCCC2)nc1NC(=O)c1ccc(C(=O)[O-])s1 ZINC000910647621 1039015676 /nfs/dbraw/zinc/01/56/76/1039015676.db2.gz HEYBIDQFMZWCPW-UHFFFAOYSA-N -1 0 333.413 3.709 20 0 EHADRM Cc1ccc2ccnc(NC(=O)CC3CCC(C(=O)[O-])CC3)c2c1 ZINC000910678201 1039016184 /nfs/dbraw/zinc/01/61/84/1039016184.db2.gz BITJUUZMAOLJMX-UHFFFAOYSA-N -1 0 326.396 3.763 20 0 EHADRM COCCOc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)CC1CCCC1 ZINC000910697823 1039025652 /nfs/dbraw/zinc/02/56/52/1039025652.db2.gz UUMPSDWTRGAICS-ZDUSSCGKSA-N -1 0 349.427 3.565 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)cc1C ZINC000485396260 1039027154 /nfs/dbraw/zinc/02/71/54/1039027154.db2.gz UKFAWHMZVYXJTA-LBPRGKRZSA-N -1 0 339.436 3.719 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)C[C@@H](C)CC(C)C)nc1C(=O)[O-] ZINC000910730325 1039036400 /nfs/dbraw/zinc/03/64/00/1039036400.db2.gz LEFSPNFHGYVNFL-AAEUAGOBSA-N -1 0 338.473 3.886 20 0 EHADRM COc1ccc(NCc2ccc(C(=O)[O-])cn2)cc1OC1CCCC1 ZINC000905720115 1039050468 /nfs/dbraw/zinc/05/04/68/1039050468.db2.gz XHBVAISUJRRAEH-UHFFFAOYSA-N -1 0 342.395 3.722 20 0 EHADRM COc1ccc(CCCCC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000500620460 1039077254 /nfs/dbraw/zinc/07/72/54/1039077254.db2.gz VMVDRZCXWLDLJT-UHFFFAOYSA-N -1 0 327.380 3.745 20 0 EHADRM Cc1nc2cc(NC(=O)N[C@@H](CC3CCCCC3)C(=O)[O-])ccc2o1 ZINC000570118155 1039080599 /nfs/dbraw/zinc/08/05/99/1039080599.db2.gz LWBANVPESGKVRL-HNNXBMFYSA-N -1 0 345.399 3.681 20 0 EHADRM CCOc1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000485443206 1039089608 /nfs/dbraw/zinc/08/96/08/1039089608.db2.gz SRWAYBREYACQJA-UHFFFAOYSA-N -1 0 329.780 3.679 20 0 EHADRM CCc1oc(CN[C@H](C)c2cc(Cl)cc3c2OCC3)cc1C(=O)[O-] ZINC000905769114 1039096898 /nfs/dbraw/zinc/09/68/98/1039096898.db2.gz BXJWZZCDABSENI-SNVBAGLBSA-N -1 0 349.814 3.979 20 0 EHADRM COc1ccc2cc([C@H](C)C(=O)NCC(C)(C)CC(=O)[O-])ccc2c1 ZINC000910832046 1039119897 /nfs/dbraw/zinc/11/98/97/1039119897.db2.gz VOJLTPXCQYWLDS-ZDUSSCGKSA-N -1 0 343.423 3.569 20 0 EHADRM CC[C@@H](O)CSc1n[n-]c(=Nc2cccc(Cl)c2C)s1 ZINC000488368494 1039127923 /nfs/dbraw/zinc/12/79/23/1039127923.db2.gz PNDVCNFSXYEXNV-SECBINFHSA-N -1 0 329.878 3.528 20 0 EHADRM C[C@@H](C1CCCCC1)N(C)C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000552253344 1039132449 /nfs/dbraw/zinc/13/24/49/1039132449.db2.gz ZGPZBIBVEBTELL-ZDUSSCGKSA-N -1 0 345.418 3.758 20 0 EHADRM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C(C)C)c1 ZINC000388137594 1039146529 /nfs/dbraw/zinc/14/65/29/1039146529.db2.gz FTPSMGBQURUUIL-UHFFFAOYSA-N -1 0 339.438 3.679 20 0 EHADRM CSc1ccc(NC(=O)[C@@H](CC(C)C)n2ccnc2)cc1C(=O)[O-] ZINC000910948120 1039169012 /nfs/dbraw/zinc/16/90/12/1039169012.db2.gz UOICZAIVSQODPQ-CQSZACIVSA-N -1 0 347.440 3.529 20 0 EHADRM CSc1ccc(NC(=O)[C@H](c2cccnc2)C(C)C)cc1C(=O)[O-] ZINC000910947712 1039170163 /nfs/dbraw/zinc/17/01/63/1039170163.db2.gz KLIRDWYWFXVIAZ-INIZCTEOSA-N -1 0 344.436 3.880 20 0 EHADRM CCN(C(=O)CC1CC(OC(C)(C)C)C1)c1cccc(C(=O)[O-])c1 ZINC000910968641 1039171847 /nfs/dbraw/zinc/17/18/47/1039171847.db2.gz WWRNLBOKJKPDEH-UHFFFAOYSA-N -1 0 333.428 3.722 20 0 EHADRM FC(F)(F)c1n[n-]c(=NC[C@@H]2CCCC[C@@H]2C(F)(F)F)s1 ZINC000480122465 1039194527 /nfs/dbraw/zinc/19/45/27/1039194527.db2.gz ZBZVAYSFLCENJL-BQBZGAKWSA-N -1 0 333.301 3.759 20 0 EHADRM Cc1nn(-c2ccc(Cl)cc2)cc1CN=c1[n-]nc(C2CC2)s1 ZINC000554319504 1039206468 /nfs/dbraw/zinc/20/64/68/1039206468.db2.gz DTWBEYNITHTXKE-UHFFFAOYSA-N -1 0 345.859 3.597 20 0 EHADRM CCNc1ccc(C(=O)[O-])cc1NC(=O)[C@H](OCC)c1ccccc1 ZINC000911081810 1039214890 /nfs/dbraw/zinc/21/48/90/1039214890.db2.gz CTQGQIRHFCAOAK-QGZVFWFLSA-N -1 0 342.395 3.533 20 0 EHADRM Cc1ncc(C(=O)[O-])cc1C(=O)Nc1cccc(COC(C)(C)C)c1 ZINC000911083631 1039216885 /nfs/dbraw/zinc/21/68/85/1039216885.db2.gz XGLUCCOKQUQOQB-UHFFFAOYSA-N -1 0 342.395 3.656 20 0 EHADRM COc1ccc([C@H](NC(=O)CC(C)(C)CC(=O)[O-])C2CCC2)cc1 ZINC000911062500 1039220075 /nfs/dbraw/zinc/22/00/75/1039220075.db2.gz PDWRFMFPUYJZOM-GOSISDBHSA-N -1 0 333.428 3.544 20 0 EHADRM Cc1cccc([C@@H]([N-]S(=O)(=O)c2cccs2)C(F)(F)F)c1 ZINC000512459200 1039226027 /nfs/dbraw/zinc/22/60/27/1039226027.db2.gz FBYMPFUPYCEYEZ-GFCCVEGCSA-N -1 0 335.372 3.638 20 0 EHADRM C/C(=C/C(=O)NCc1ccc(C(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000236652650 1039233356 /nfs/dbraw/zinc/23/33/56/1039233356.db2.gz AVNQFXQQDAYZFM-XFXZXTDPSA-N -1 0 329.783 3.758 20 0 EHADRM CC(C)c1csc([N-]S(=O)(=O)c2onc(C3CC3)c2Cl)n1 ZINC000906058806 1039270447 /nfs/dbraw/zinc/27/04/47/1039270447.db2.gz FGHPAOFBPMINMC-UHFFFAOYSA-N -1 0 347.849 3.586 20 0 EHADRM CC1(C)C[C@H](N=c2[n-]nc(C(F)F)s2)c2cc(F)ccc2O1 ZINC000651415340 1039293306 /nfs/dbraw/zinc/29/33/06/1039293306.db2.gz BKPUVUMUMQOKDB-VIFPVBQESA-N -1 0 329.347 3.751 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1cc(Cc2ccccc2)[nH]n1 ZINC000552447967 1039298322 /nfs/dbraw/zinc/29/83/22/1039298322.db2.gz JVUGUNKQUZFJCU-UHFFFAOYSA-N -1 0 345.761 3.751 20 0 EHADRM CCCCCc1nnc([N-]S(=O)(=O)c2ccccc2CC)s1 ZINC000488598976 1039301896 /nfs/dbraw/zinc/30/18/96/1039301896.db2.gz SMTYIVLIFIQFML-UHFFFAOYSA-N -1 0 339.486 3.634 20 0 EHADRM CC(C)n1cc(/C=C(/CCC(=O)[O-])c2nc3ccccc3s2)nn1 ZINC000554389813 1039301987 /nfs/dbraw/zinc/30/19/87/1039301987.db2.gz KQDOKQFWLIUXEW-XFXZXTDPSA-N -1 0 342.424 3.874 20 0 EHADRM O=C(N=c1nc(-c2ccsc2)[n-]s1)NC(C1CCC1)C1CCC1 ZINC000480207051 1039307419 /nfs/dbraw/zinc/30/74/19/1039307419.db2.gz ROLIVUVHZNLFJN-UHFFFAOYSA-N -1 0 348.497 3.779 20 0 EHADRM Cc1ccc(C(C)(C)CNC(=O)CC2CCC(C(=O)[O-])CC2)cc1 ZINC000911343508 1039337202 /nfs/dbraw/zinc/33/72/02/1039337202.db2.gz QVNFBEBYDMSGJL-UHFFFAOYSA-N -1 0 331.456 3.670 20 0 EHADRM CC(C)(CCC(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2)cn1 ZINC000911343978 1039338073 /nfs/dbraw/zinc/33/80/73/1039338073.db2.gz YOQZXRLWFKWLES-UHFFFAOYSA-N -1 0 328.368 3.703 20 0 EHADRM CCCCn1ncc([N-]S(=O)(=O)c2sccc2C)c1C(C)C ZINC000480247549 1039352427 /nfs/dbraw/zinc/35/24/27/1039352427.db2.gz MIKRDDNFQLBINT-UHFFFAOYSA-N -1 0 341.502 3.977 20 0 EHADRM CCc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(/C=C/C(=O)[O-])o2)s1 ZINC000911428778 1039358650 /nfs/dbraw/zinc/35/86/50/1039358650.db2.gz WKBCXVBGJGYOQI-DJYGCBNOSA-N -1 0 348.424 3.538 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c(Cl)c1 ZINC000911475015 1039377035 /nfs/dbraw/zinc/37/70/35/1039377035.db2.gz ZKHJHVOAJUEBFK-VXGBXAGGSA-N -1 0 339.819 3.957 20 0 EHADRM C[C@@H](N=c1[n-]nc(-c2ccccc2)s1)[C@@H]1OCCc2sccc21 ZINC000488748895 1039381371 /nfs/dbraw/zinc/38/13/71/1039381371.db2.gz QHBZISUAAQGANP-ABAIWWIYSA-N -1 0 343.477 3.803 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1cc2cc(F)ccc2o1 ZINC000237666145 1039407627 /nfs/dbraw/zinc/40/76/27/1039407627.db2.gz MSMNSSLBUISBAI-HNNXBMFYSA-N -1 0 341.338 3.826 20 0 EHADRM Cc1ccccc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000237680389 1039412238 /nfs/dbraw/zinc/41/22/38/1039412238.db2.gz IVPWFMKECORBOY-HNNXBMFYSA-N -1 0 335.762 3.733 20 0 EHADRM Cc1sc(C(=O)N2CCC[C@@H]2C(=O)[O-])cc1-c1ccc(F)cc1 ZINC000237696552 1039412504 /nfs/dbraw/zinc/41/25/04/1039412504.db2.gz BTMLTPVNRCPGJI-CQSZACIVSA-N -1 0 333.384 3.552 20 0 EHADRM Cc1cc(F)c(NC(=O)[C@@H](c2ccccc2)C2CC2)cc1C(=O)[O-] ZINC000911690068 1039462449 /nfs/dbraw/zinc/46/24/49/1039462449.db2.gz TWHDMUFONYVFKQ-KRWDZBQOSA-N -1 0 327.355 3.965 20 0 EHADRM Cc1ccc(CCC(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])cc1 ZINC000485731032 1039473844 /nfs/dbraw/zinc/47/38/44/1039473844.db2.gz GYASUEWBCABGLH-KRWDZBQOSA-N -1 0 339.435 3.677 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(COCC3CC3)c2)s1 ZINC000238053227 1039481803 /nfs/dbraw/zinc/48/18/03/1039481803.db2.gz DUXRQGXEOYHTOF-UHFFFAOYSA-N -1 0 331.393 3.625 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000238101193 1039491346 /nfs/dbraw/zinc/49/13/46/1039491346.db2.gz AFMMNKITULLWET-STQMWFEESA-N -1 0 339.382 3.610 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)C[C@H](C)c1ccccc1)C(=O)[O-] ZINC000485750543 1039512248 /nfs/dbraw/zinc/51/22/48/1039512248.db2.gz GTYYYPFPRBYVTK-IRXDYDNUSA-N -1 0 339.435 3.930 20 0 EHADRM CC1(C)C[C@@H](N=c2[n-]nc(C(F)(F)F)s2)c2ccc(F)cc2O1 ZINC000480405839 1039516409 /nfs/dbraw/zinc/51/64/09/1039516409.db2.gz CRBODKBBIJHKQG-SECBINFHSA-N -1 0 347.337 3.832 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)COc3ccccc3Cl)[nH][nH]2)s1 ZINC000500861663 1039613607 /nfs/dbraw/zinc/61/36/07/1039613607.db2.gz UHYYVCAJZKXGLL-UHFFFAOYSA-N -1 0 347.827 3.539 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F)cc1 ZINC000554702746 1039626930 /nfs/dbraw/zinc/62/69/30/1039626930.db2.gz BESUSMRWSGQBJQ-ZDUSSCGKSA-N -1 0 337.407 3.782 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-]c2cc(-c3ccccc3)on2)cc1C ZINC000554727627 1039631203 /nfs/dbraw/zinc/63/12/03/1039631203.db2.gz XQIRMTRDMMARQT-UHFFFAOYSA-N -1 0 342.420 3.900 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc3oc(C(C)(C)C)nc3c2)o1 ZINC000552962104 1039674240 /nfs/dbraw/zinc/67/42/40/1039674240.db2.gz DBFJQMFMUOLNFX-UHFFFAOYSA-N -1 0 334.397 3.828 20 0 EHADRM CCOc1c(Cl)cccc1CN=c1[n-]nc(CC2CCCC2)o1 ZINC000485958701 1039721465 /nfs/dbraw/zinc/72/14/65/1039721465.db2.gz OUXANQQJVMBBGG-UHFFFAOYSA-N -1 0 335.835 3.888 20 0 EHADRM COCCCC[C@@H](N=c1[n-]nc(C(F)(F)F)s1)c1ccccc1 ZINC000480580833 1039725902 /nfs/dbraw/zinc/72/59/02/1039725902.db2.gz RGMGSDRWVQGYBA-GFCCVEGCSA-N -1 0 345.390 3.949 20 0 EHADRM Clc1ccsc1CN=c1[n-]nc(CCCc2ccccc2)o1 ZINC000485973506 1039737564 /nfs/dbraw/zinc/73/75/64/1039737564.db2.gz LQQZUKWMYPXMAX-UHFFFAOYSA-N -1 0 333.844 3.994 20 0 EHADRM Fc1ccc([C@H]2CC[C@H](N=c3[n-]nc(-c4ccccn4)s3)C2)cc1 ZINC000480591421 1039739896 /nfs/dbraw/zinc/73/98/96/1039739896.db2.gz SWIINOKRRSATRK-ZFWWWQNUSA-N -1 0 340.427 3.909 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)[N-]OCc1cccc(C)n1 ZINC000898936144 1039741215 /nfs/dbraw/zinc/74/12/15/1039741215.db2.gz NVQXAWIKLIITRR-CQSZACIVSA-N -1 0 328.412 3.530 20 0 EHADRM O=C(CSCC(F)(F)F)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000544816173 1039779567 /nfs/dbraw/zinc/77/95/67/1039779567.db2.gz BIVARKNSTLHEKL-UHFFFAOYSA-N -1 0 334.146 3.933 20 0 EHADRM C[C@H](C[C@@H]1CCCO1)N=c1[n-]nc(Cc2ccc(Cl)cc2)s1 ZINC000489313867 1039826583 /nfs/dbraw/zinc/82/65/83/1039826583.db2.gz JELDOHZHGBBJRX-RISCZKNCSA-N -1 0 337.876 3.574 20 0 EHADRM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CC1(C(=O)[O-])CCCC1 ZINC000322044110 1039834276 /nfs/dbraw/zinc/83/42/76/1039834276.db2.gz ZLTJIAACHWNXTD-LLVKDONJSA-N -1 0 325.355 3.519 20 0 EHADRM CCCn1nc(C)c(/C=C\c2nc3cc(C(=O)[O-])ccc3o2)c1C ZINC000486107698 1039888307 /nfs/dbraw/zinc/88/83/07/1039888307.db2.gz ZTTOAJLNSXWZBL-VURMDHGXSA-N -1 0 325.368 3.920 20 0 EHADRM Cc1cc(C)c(NS(=O)(=O)c2ccccc2)cc1Br ZINC000486123838 1039907552 /nfs/dbraw/zinc/90/75/52/1039907552.db2.gz FHKQAFRZRUNBAX-UHFFFAOYSA-N -1 0 340.242 3.867 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1nc2c(s1)C[C@@H](C)CC2 ZINC000479072194 1039932266 /nfs/dbraw/zinc/93/22/66/1039932266.db2.gz UXGFIEOCECKMOY-VIFPVBQESA-N -1 0 340.445 3.516 20 0 EHADRM C[C@H](CCSc1n[n-]c(=NC2CC2)s1)OCc1ccccc1 ZINC000473405093 1039932618 /nfs/dbraw/zinc/93/26/18/1039932618.db2.gz JNAIVMPIVCIRDT-GFCCVEGCSA-N -1 0 335.498 3.622 20 0 EHADRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C)cc2F)c1-c1ccccc1 ZINC000533947342 1039999103 /nfs/dbraw/zinc/99/91/03/1039999103.db2.gz UFQXVGBXRZCNPS-UHFFFAOYSA-N -1 0 345.399 3.633 20 0 EHADRM CSc1ccc(CN[C@]2(C(=O)[O-])CCc3c2cccc3F)s1 ZINC000417573578 1040009266 /nfs/dbraw/zinc/00/92/66/1040009266.db2.gz XDBHTYULMFJTOK-MRXNPFEDSA-N -1 0 337.441 3.625 20 0 EHADRM CC(C)(C)c1ncc(CNc2ccc(CCCC(=O)[O-])cc2)cn1 ZINC000417579864 1040024396 /nfs/dbraw/zinc/02/43/96/1040024396.db2.gz BWIONSGVMUCAEG-UHFFFAOYSA-N -1 0 327.428 3.794 20 0 EHADRM COc1cccc(CNc2ccc(CCCC(=O)[O-])cc2)c1OC ZINC000417579848 1040024635 /nfs/dbraw/zinc/02/46/35/1040024635.db2.gz BUQWQJCSQQREQP-UHFFFAOYSA-N -1 0 329.396 3.723 20 0 EHADRM CCc1nc(CN[C@@]2(C(=O)[O-])C[C@H](C(C)C)c3ccccc32)cs1 ZINC000417575344 1040037308 /nfs/dbraw/zinc/03/73/08/1040037308.db2.gz FPNAFKNSWDUVPL-BEFAXECRSA-N -1 0 344.480 3.919 20 0 EHADRM CCO[C@H]1C[C@H](N=c2[n-]c(C(F)(F)F)ns2)C12CCCCC2 ZINC000553410709 1040050797 /nfs/dbraw/zinc/05/07/97/1040050797.db2.gz NWGUKJCLHVZVIN-UWVGGRQHSA-N -1 0 335.395 3.519 20 0 EHADRM COc1cccc(CNc2ccc(CC(=O)[O-])cc2)c1OC(C)C ZINC000417594293 1040050872 /nfs/dbraw/zinc/05/08/72/1040050872.db2.gz WFRREFDDCBKHSG-UHFFFAOYSA-N -1 0 329.396 3.722 20 0 EHADRM CC[C@H](Cc1ccc(NCc2c(OC)cccc2OC)cc1)C(=O)[O-] ZINC000417609408 1040063486 /nfs/dbraw/zinc/06/34/86/1040063486.db2.gz KVFRSMVSKGVCGL-OAHLLOKOSA-N -1 0 343.423 3.969 20 0 EHADRM CC(=O)Nc1cccc(N=c2[n-]nc(S[C@H]3CC[C@@H](C)C3)s2)c1 ZINC000555015551 1040064520 /nfs/dbraw/zinc/06/45/20/1040064520.db2.gz GPGPDKZIUQCDNU-YGRLFVJLSA-N -1 0 348.497 3.943 20 0 EHADRM Cc1coc2ccc(NS(=O)(=O)c3cc4c(cc3C)OCO4)cc12 ZINC000479232751 1040069109 /nfs/dbraw/zinc/06/91/09/1040069109.db2.gz WQQXNRPGABLIEP-UHFFFAOYSA-N -1 0 345.376 3.579 20 0 EHADRM CC(C)=CCSC[C@@H](NCc1cnc(C(C)C)s1)C(=O)[O-] ZINC000417621810 1040072059 /nfs/dbraw/zinc/07/20/59/1040072059.db2.gz GDYATWWOFCUQGA-CYBMUJFWSA-N -1 0 328.503 3.509 20 0 EHADRM O=C([O-])[C@H](CCSc1ccccc1)NCc1csc(C2CC2)n1 ZINC000417612523 1040080208 /nfs/dbraw/zinc/08/02/08/1040080208.db2.gz BXYNCEBHAAPTNI-HNNXBMFYSA-N -1 0 348.493 3.746 20 0 EHADRM CCC(C)(C)c1ccccc1C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000907544071 1040089910 /nfs/dbraw/zinc/08/99/10/1040089910.db2.gz YVLJTEYGTXOTKH-UHFFFAOYSA-N -1 0 332.425 3.710 20 0 EHADRM COc1ccccc1C(=O)NCc1c(C(=O)[O-])sc2ccsc21 ZINC000486379697 1040096270 /nfs/dbraw/zinc/09/62/70/1040096270.db2.gz MVGBJULAVLVOBO-UHFFFAOYSA-N -1 0 347.417 3.600 20 0 EHADRM Cc1ccc(C[C@@H](NCc2csc(C(C)(C)C)n2)C(=O)[O-])cc1C ZINC000417655136 1040135559 /nfs/dbraw/zinc/13/55/59/1040135559.db2.gz SMTBDUBBAHJFOO-MRXNPFEDSA-N -1 0 346.496 3.843 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@@H](C)c2oc3ccccc3c2C)s1 ZINC000479348321 1040152865 /nfs/dbraw/zinc/15/28/65/1040152865.db2.gz KMIYZZZVIOTKQP-NSHDSACASA-N -1 0 344.440 3.850 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc(C3CC3)oc2C2CC2)[C@H]2CCC[C@@H]21 ZINC000907736959 1040152924 /nfs/dbraw/zinc/15/29/24/1040152924.db2.gz VRILMYMRPNUNAE-FMKPAKJESA-N -1 0 343.423 3.750 20 0 EHADRM C[C@@H](CC(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@H]12)Cc1ccc(Cl)cc1 ZINC000907938710 1040236582 /nfs/dbraw/zinc/23/65/82/1040236582.db2.gz DDIYZAFNLIGPBF-VRWYTHRKSA-N -1 0 349.858 3.524 20 0 EHADRM CC[C@H](C)c1ncc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)cn1 ZINC000417804785 1040239828 /nfs/dbraw/zinc/23/98/28/1040239828.db2.gz ZPDJNFHHNNRKQS-LBPRGKRZSA-N -1 0 342.399 3.651 20 0 EHADRM C[C@H](CN=c1[n-]nc(Cc2ccc(Cl)cc2)s1)C(F)(F)F ZINC000489931740 1040241779 /nfs/dbraw/zinc/24/17/79/1040241779.db2.gz QFNQYDYUERZUAI-MRVPVSSYSA-N -1 0 335.782 3.815 20 0 EHADRM CC(C)c1ccc2occ(C(=O)N[C@@H]3C[C@@H]4C[C@@H](C(=O)[O-])C[C@H]34)c2c1 ZINC000907966726 1040252454 /nfs/dbraw/zinc/25/24/54/1040252454.db2.gz SIYVMCHNRCSGDZ-QDEZUTFSSA-N -1 0 341.407 3.785 20 0 EHADRM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C3(C)CCCC3)on2)c1 ZINC000432958121 1040270143 /nfs/dbraw/zinc/27/01/43/1040270143.db2.gz GDCRSLMSRQGBPE-UHFFFAOYSA-N -1 0 348.424 3.510 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(C3(C)CCCC3)on2)cc1F ZINC000432957274 1040283413 /nfs/dbraw/zinc/28/34/13/1040283413.db2.gz DFMZOVFPCZGQBT-UHFFFAOYSA-N -1 0 338.404 3.755 20 0 EHADRM COCc1n[n-]c(=N[C@@H]2CCc3ccc(-c4ccccc4)cc32)s1 ZINC000489984610 1040287280 /nfs/dbraw/zinc/28/72/80/1040287280.db2.gz QJMIAASWUSHKEE-QGZVFWFLSA-N -1 0 337.448 3.873 20 0 EHADRM CCOc1cc(C)ccc1NC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000899312408 1040312535 /nfs/dbraw/zinc/31/25/35/1040312535.db2.gz ZTHWODBEYOZFAB-CQSZACIVSA-N -1 0 334.416 3.645 20 0 EHADRM CCOc1cc(C)ccc1NC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000899312406 1040313805 /nfs/dbraw/zinc/31/38/05/1040313805.db2.gz ZTHWODBEYOZFAB-AWEZNQCLSA-N -1 0 334.416 3.645 20 0 EHADRM Cc1cnn(-c2ccc(NC(=O)c3cccc(Cl)c3[O-])cc2F)c1 ZINC001126357879 1040329061 /nfs/dbraw/zinc/32/90/61/1040329061.db2.gz UJXYORPLEVTMDS-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM O=c1c(C(F)(F)F)c(C2CC2)[n-]n1-c1cccc(Br)c1 ZINC000899346456 1040351814 /nfs/dbraw/zinc/35/18/14/1040351814.db2.gz OMHYKCKMKOBXGH-JTQLQIEISA-N -1 0 347.134 3.740 20 0 EHADRM CC(C)c1ccc([C@H](C)n2[n-]c3c(c2=O)CC2(CC3)OCCO2)cc1 ZINC000899360647 1040385842 /nfs/dbraw/zinc/38/58/42/1040385842.db2.gz MPVSTHHSEJPOSE-WMLDXEAASA-N -1 0 342.439 3.612 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)CCC1 ZINC000908339221 1040399135 /nfs/dbraw/zinc/39/91/35/1040399135.db2.gz ZFOMFZIUFIYXPI-DLBZAZTESA-N -1 0 347.430 3.861 20 0 EHADRM COc1cc(C(=O)NCCCCC2(C(=O)[O-])CCC2)ccc1Cl ZINC000908339253 1040400051 /nfs/dbraw/zinc/40/00/51/1040400051.db2.gz MNPOMFLAKRQOPK-UHFFFAOYSA-N -1 0 339.819 3.504 20 0 EHADRM Cc1ccc(C[C@@H](C)C(=O)NCCCCC2(C(=O)[O-])CCC2)cc1 ZINC000908338903 1040400455 /nfs/dbraw/zinc/40/04/55/1040400455.db2.gz QHSKUIBJVQIVBN-MRXNPFEDSA-N -1 0 331.456 3.715 20 0 EHADRM C[C@@H](C(=O)NCCCCC1(C(=O)[O-])CCC1)c1cccc(Cl)c1 ZINC000908340438 1040401772 /nfs/dbraw/zinc/40/17/72/1040401772.db2.gz XUAYEQUVJSMVTL-CYBMUJFWSA-N -1 0 337.847 3.985 20 0 EHADRM CC(C)(C)c1ccc(CCC(=O)N[C@@H]2CC[C@H](CC(=O)[O-])C2)cc1 ZINC000908367529 1040415777 /nfs/dbraw/zinc/41/57/77/1040415777.db2.gz HNDFHMPZMOIWFE-DOTOQJQBSA-N -1 0 331.456 3.676 20 0 EHADRM CCC[C@@](C)(CC)C(=O)Nc1ccc(-n2[n-]c(C3CC3)cc2=O)nc1 ZINC000912867676 1040423603 /nfs/dbraw/zinc/42/36/03/1040423603.db2.gz XPOSZPDZRKVNES-LJQANCHMSA-N -1 0 342.443 3.739 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2C[C@H](c3ccc(C)cc3)C[C@H]2C)s1 ZINC000486792871 1040453736 /nfs/dbraw/zinc/45/37/36/1040453736.db2.gz VEEHTXQUDYBBCZ-UKRRQHHQSA-N -1 0 344.484 3.631 20 0 EHADRM CCOc1ccccc1CCC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000324891444 1040465485 /nfs/dbraw/zinc/46/54/85/1040465485.db2.gz MJBYHGLVHWQIAA-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM CCc1cc(C(=O)N=c2[n-]nc(/C=C\c3ccco3)s2)oc1CC ZINC000490278043 1040473049 /nfs/dbraw/zinc/47/30/49/1040473049.db2.gz XFRXHYUDVREYMP-FPLPWBNLSA-N -1 0 343.408 3.694 20 0 EHADRM COc1cc(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)ccc1Cl ZINC000190884588 1040495227 /nfs/dbraw/zinc/49/52/27/1040495227.db2.gz FAJVJKCOWMDZQQ-RUDMXATFSA-N -1 0 331.755 3.699 20 0 EHADRM CC[C@](C)(NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[O-] ZINC000388344600 1040522628 /nfs/dbraw/zinc/52/26/28/1040522628.db2.gz ISGXDCDEUCCYNG-LBPRGKRZSA-N -1 0 338.713 3.734 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2C[C@H](C)CCC[C@H]2C)n1 ZINC000468745897 1040530829 /nfs/dbraw/zinc/53/08/29/1040530829.db2.gz WJYVWRGEBMSXSC-TZMCWYRMSA-N -1 0 345.418 3.676 20 0 EHADRM Cc1sccc1NC(=O)N1c2ccccc2C[C@@H](C)[C@H]1C(=O)[O-] ZINC000908629995 1040536714 /nfs/dbraw/zinc/53/67/14/1040536714.db2.gz YJOQJHTTWNRPNQ-BMIGLBTASA-N -1 0 330.409 3.740 20 0 EHADRM Cc1ccc(NC(=O)N(Cc2ccccc2)[C@H](C)C(=O)[O-])c(C)c1 ZINC000908631301 1040538596 /nfs/dbraw/zinc/53/85/96/1040538596.db2.gz DVNMMIVBAQHUIK-OAHLLOKOSA-N -1 0 326.396 3.811 20 0 EHADRM Cc1cccc(CN(C)C(=O)N=c2ccc(-c3ccccc3)n[n-]2)c1C ZINC000433035626 1040539694 /nfs/dbraw/zinc/53/96/94/1040539694.db2.gz MZAWLSHDRMOQKG-UHFFFAOYSA-N -1 0 346.434 3.846 20 0 EHADRM CCC[C@@]1(C(=O)[O-])CCCN1C(=O)Nc1cccc([C@H](C)OC)c1 ZINC000908620080 1040548693 /nfs/dbraw/zinc/54/86/93/1040548693.db2.gz DCJQIHRZFVXTIB-UGSOOPFHSA-N -1 0 334.416 3.645 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C[C@@H]2CCC3(CCC3)CO2)cc1Cl ZINC000908684278 1040573213 /nfs/dbraw/zinc/57/32/13/1040573213.db2.gz SAKOKVCUJLONRQ-LBPRGKRZSA-N -1 0 337.803 3.716 20 0 EHADRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)s1 ZINC000042232994 1040580113 /nfs/dbraw/zinc/58/01/13/1040580113.db2.gz RKDBHBDZWSCOQH-UHFFFAOYSA-N -1 0 331.418 3.903 20 0 EHADRM O=C([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)[C@H]1CC=CCC1 ZINC000042233217 1040581114 /nfs/dbraw/zinc/58/11/14/1040581114.db2.gz JCBHRZWEQAFPRN-VIFPVBQESA-N -1 0 334.224 3.995 20 0 EHADRM CC[C@@H](CNC(=O)c1ccccc1CCC(=O)[O-])c1ccccc1 ZINC000908704817 1040599143 /nfs/dbraw/zinc/59/91/43/1040599143.db2.gz MIKXPEHOLBBTER-HNNXBMFYSA-N -1 0 325.408 3.627 20 0 EHADRM CC(C)COc1ccc(CN=c2[n-]nc(Cc3ccccc3)o2)cc1 ZINC000479764983 1040603130 /nfs/dbraw/zinc/60/31/30/1040603130.db2.gz NNQVCVOBKDOXSQ-UHFFFAOYSA-N -1 0 337.423 3.729 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1ccccc1SCC(F)(F)F ZINC000908708412 1040604955 /nfs/dbraw/zinc/60/49/55/1040604955.db2.gz VLNMAXKXWZALRT-NSHDSACASA-N -1 0 335.347 3.636 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)NCCCSc1ccccc1 ZINC000908725983 1040629084 /nfs/dbraw/zinc/62/90/84/1040629084.db2.gz KROSWWCJEDMWFH-UHFFFAOYSA-N -1 0 343.448 3.616 20 0 EHADRM C[C@@H](CCNC(=O)C12CCC(C(=O)[O-])(CC1)CC2)c1ccccc1 ZINC000908760281 1040637948 /nfs/dbraw/zinc/63/79/48/1040637948.db2.gz KNIZKUISKDPWSL-VMEOHVCESA-N -1 0 329.440 3.722 20 0 EHADRM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1csc(C(=O)[O-])n1 ZINC000908767303 1040641032 /nfs/dbraw/zinc/64/10/32/1040641032.db2.gz BIUHWDVWEPIHMH-UKRRQHHQSA-N -1 0 344.436 3.640 20 0 EHADRM CC(=O)c1cc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)ccc1C ZINC000908943736 1040716448 /nfs/dbraw/zinc/71/64/48/1040716448.db2.gz KUIGIDFIUHQLQV-SFHVURJKSA-N -1 0 339.391 3.534 20 0 EHADRM CC(=O)c1cc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)ccc1C ZINC000908943735 1040716688 /nfs/dbraw/zinc/71/66/88/1040716688.db2.gz KUIGIDFIUHQLQV-GOSISDBHSA-N -1 0 339.391 3.534 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)c2cc(Cl)c3ccccc3n2)s1 ZINC000555546134 1040797330 /nfs/dbraw/zinc/79/73/30/1040797330.db2.gz QCUFFUBZOLNPBI-UHFFFAOYSA-N -1 0 346.843 3.757 20 0 EHADRM CC(C)(O)C1CCC(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CC1 ZINC000909110608 1040828671 /nfs/dbraw/zinc/82/86/71/1040828671.db2.gz PJNDGWXXQFEUBC-UHFFFAOYSA-N -1 0 339.819 3.554 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccn(C3CCCCC3)n2)ccc1Cl ZINC000909110562 1040828776 /nfs/dbraw/zinc/82/87/76/1040828776.db2.gz OFEFJFWPKJPYOV-UHFFFAOYSA-N -1 0 347.802 3.992 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)c1ccc(F)c(Cl)c1 ZINC000429859923 1040831603 /nfs/dbraw/zinc/83/16/03/1040831603.db2.gz NQBCOUUTTGDTQQ-UHFFFAOYSA-N -1 0 327.746 3.610 20 0 EHADRM Cc1nc(C2CC2)ccc1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000909288270 1040908697 /nfs/dbraw/zinc/90/86/97/1040908697.db2.gz ILHMOXSIPVSBKO-UHFFFAOYSA-N -1 0 338.407 3.882 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H](c2ccncc2)C2CCCC2)cc1F ZINC000909297121 1040913340 /nfs/dbraw/zinc/91/33/40/1040913340.db2.gz XMYGASRCWSQMKX-KRWDZBQOSA-N -1 0 342.370 3.831 20 0 EHADRM CCC[C@H]1C[C@H](C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CCO1 ZINC000909297918 1040914438 /nfs/dbraw/zinc/91/44/38/1040914438.db2.gz RUBMFPYJQFLOFV-CJNGLKHVSA-N -1 0 333.428 3.583 20 0 EHADRM O=C([O-])C1(CC(=O)NC[C@H]2CCCCC(F)(F)C2)CCCCC1 ZINC000555627053 1040921466 /nfs/dbraw/zinc/92/14/66/1040921466.db2.gz YDRUKHDNEQFRHQ-ZDUSSCGKSA-N -1 0 331.403 3.743 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@@]2(c3ccccc3)C[C@H](F)C2)cc1 ZINC000909286507 1040926823 /nfs/dbraw/zinc/92/68/23/1040926823.db2.gz OLTNUHYLERJBNC-UKIBZPOASA-N -1 0 341.382 3.712 20 0 EHADRM CN(C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-])[C@@H]1CCC(C)(C)C1 ZINC000614287080 1040927723 /nfs/dbraw/zinc/92/77/23/1040927723.db2.gz KPOPKZNYUVKCOZ-GFCCVEGCSA-N -1 0 349.381 3.507 20 0 EHADRM O=C(CCc1ccccc1F)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000042258319 1040939266 /nfs/dbraw/zinc/93/92/66/1040939266.db2.gz FOPDKRVQLPNGLG-UHFFFAOYSA-N -1 0 347.820 3.819 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCC[C@H]2c2ccccc2)C1 ZINC000909701482 1040941180 /nfs/dbraw/zinc/94/11/80/1040941180.db2.gz SYQJIROHWPZZMF-QKLQHJQFSA-N -1 0 329.440 3.530 20 0 EHADRM C[C@H]1CCCCCN1C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000408448599 1040955417 /nfs/dbraw/zinc/95/54/17/1040955417.db2.gz XWUFDPNRMZYWJL-LBPRGKRZSA-N -1 0 333.819 3.636 20 0 EHADRM O=C(N=c1nc(Cc2ccccc2)[n-]s1)c1ccc(F)c(Cl)c1 ZINC000487633962 1041007515 /nfs/dbraw/zinc/00/75/15/1041007515.db2.gz NSUFXVJFSWLZBR-UHFFFAOYSA-N -1 0 347.802 3.596 20 0 EHADRM CC[C@H]1[C@@H](C)CCN1C(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000481515694 1041012766 /nfs/dbraw/zinc/01/27/66/1041012766.db2.gz BSHXCHBLWVXCCQ-ONGXEEELSA-N -1 0 336.486 3.649 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)CCc2ncc(C(C)(C)C)o2)cc1 ZINC000909836141 1041033430 /nfs/dbraw/zinc/03/34/30/1041033430.db2.gz LUNCJAQCVSWMHL-LBPRGKRZSA-N -1 0 344.411 3.732 20 0 EHADRM Cc1c(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cnn1CCC(C)C ZINC000909837697 1041034282 /nfs/dbraw/zinc/03/42/82/1041034282.db2.gz YNRVYRQTWMHQBC-ZDUSSCGKSA-N -1 0 343.427 3.678 20 0 EHADRM CCCCCc1cc(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)n[nH]1 ZINC000659161374 1041069087 /nfs/dbraw/zinc/06/90/87/1041069087.db2.gz VTXVGARUPDOGTI-GFCCVEGCSA-N -1 0 329.400 3.583 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)N1CCC[C@@H](c2ccccc2)C1 ZINC000909923396 1041081176 /nfs/dbraw/zinc/08/11/76/1041081176.db2.gz PQACZSLIVQQKJS-GOSISDBHSA-N -1 0 337.419 3.724 20 0 EHADRM CC(C)(CC(=O)N[C@](C)(CCF)C(=O)[O-])Cc1ccc(Cl)cc1 ZINC000909969802 1041084684 /nfs/dbraw/zinc/08/46/84/1041084684.db2.gz BZHUDFQNKZEMLK-QGZVFWFLSA-N -1 0 343.826 3.618 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000899762991 1041091061 /nfs/dbraw/zinc/09/10/61/1041091061.db2.gz YGSCBMIYFGOSST-LBPRGKRZSA-N -1 0 330.384 3.781 20 0 EHADRM COc1cc(C)c(NC(=O)C[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1F ZINC000899782039 1041105783 /nfs/dbraw/zinc/10/57/83/1041105783.db2.gz QNLAQXRRDUDZJX-CQSZACIVSA-N -1 0 345.370 3.648 20 0 EHADRM N#CC(=C([O-])C=Cc1ccncn1)c1nc2cc(Cl)ccc2s1 ZINC000156334766 1041122846 /nfs/dbraw/zinc/12/28/46/1041122846.db2.gz IVIUGUBQEOQBIK-JDGPPOGSSA-N -1 0 340.795 3.629 20 0 EHADRM CCC[C@@]1(COC)CCCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000193743983 1041123864 /nfs/dbraw/zinc/12/38/64/1041123864.db2.gz JKJVIJCLNKVTMG-KRWDZBQOSA-N -1 0 334.441 3.538 20 0 EHADRM C[C@H]1CCC[C@H](C)N(C(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])C1 ZINC000669167279 1041139471 /nfs/dbraw/zinc/13/94/71/1041139471.db2.gz ALIGFBKIAXCXRR-RYUDHWBXSA-N -1 0 349.381 3.507 20 0 EHADRM CC[C@H](SC)C(=O)N1CCC([C@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000910030879 1041145895 /nfs/dbraw/zinc/14/58/95/1041145895.db2.gz DBDFODFFQPXSGP-SJORKVTESA-N -1 0 349.496 3.625 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000899796532 1041148446 /nfs/dbraw/zinc/14/84/46/1041148446.db2.gz LMRPSIFRXCGCQV-WCQYABFASA-N -1 0 327.371 3.621 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)N[C@H](c1ccccc1)C(F)(F)F ZINC000899806640 1041152261 /nfs/dbraw/zinc/15/22/61/1041152261.db2.gz NGSJXBWDKHOFSR-TZMCWYRMSA-N -1 0 331.334 3.543 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000899809709 1041156980 /nfs/dbraw/zinc/15/69/80/1041156980.db2.gz RJDIOYDMGUGOOB-LBPRGKRZSA-N -1 0 331.334 3.867 20 0 EHADRM Cc1ccc([C@@H](CC(=O)NC(C)(C)c2cccs2)C(=O)[O-])cc1 ZINC000899813201 1041158857 /nfs/dbraw/zinc/15/88/57/1041158857.db2.gz HHBMNXQHCCBJEY-CQSZACIVSA-N -1 0 331.437 3.666 20 0 EHADRM CC/C(C)=C/C(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC000910084451 1041168225 /nfs/dbraw/zinc/16/82/25/1041168225.db2.gz UTOXDQSNGCBASL-VMPITWQZSA-N -1 0 326.190 3.751 20 0 EHADRM Cc1ccc([C@H](CC(=O)NCc2cscc2Cl)C(=O)[O-])cc1 ZINC000899835170 1041182018 /nfs/dbraw/zinc/18/20/18/1041182018.db2.gz LODGPRODUOBZTO-ZDUSSCGKSA-N -1 0 337.828 3.585 20 0 EHADRM CSc1ccccc1C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])cs1 ZINC000910116477 1041183238 /nfs/dbraw/zinc/18/32/38/1041183238.db2.gz YRFYGILHVLCHOM-GFCCVEGCSA-N -1 0 348.449 3.541 20 0 EHADRM O=C([O-])c1csc([C@H]2CCCN2C(=O)C2CC3(C2)CCCCC3)n1 ZINC000910103891 1041192144 /nfs/dbraw/zinc/19/21/44/1041192144.db2.gz PDROGKYYZWRQOM-CQSZACIVSA-N -1 0 348.468 3.865 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)CCO1 ZINC000910198560 1041222903 /nfs/dbraw/zinc/22/29/03/1041222903.db2.gz UFDAXJKQQJYPKD-SJCJKPOMSA-N -1 0 344.411 3.646 20 0 EHADRM CC1(C)[C@@H](c2ccccc2)[C@@H]1NC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000910194533 1041233048 /nfs/dbraw/zinc/23/30/48/1041233048.db2.gz JOMNTJFZOQLNBU-RKAKKKFESA-N -1 0 341.451 3.720 20 0 EHADRM CCOC(=O)[C@@H](Sc1ncc(C)c(=O)[nH]1)c1cccc(Cl)c1 ZINC000571344698 1041272341 /nfs/dbraw/zinc/27/23/41/1041272341.db2.gz JBSHFQICXJDTMS-LBPRGKRZSA-N -1 0 338.816 3.541 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCC2(c3ccccc3F)CCC2)c(F)c1 ZINC000652080291 1041331394 /nfs/dbraw/zinc/33/13/94/1041331394.db2.gz GAEFSDQJGVGESS-UHFFFAOYSA-N -1 0 345.345 3.515 20 0 EHADRM C[C@@H](c1ccccc1)N(C)C(=O)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000392155664 1041358681 /nfs/dbraw/zinc/35/86/81/1041358681.db2.gz AFPSSLZCEXCVEO-YWZLYKJASA-N -1 0 325.408 3.639 20 0 EHADRM COc1cccc(N=c2[n-]nc(SCc3cnccc3C)s2)c1 ZINC000433397593 1041388258 /nfs/dbraw/zinc/38/82/58/1041388258.db2.gz BNHJCBBDRRWPRH-UHFFFAOYSA-N -1 0 344.465 3.708 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@H](C)c1ccc(Cl)s1)CC(=O)[O-] ZINC000652089102 1041549706 /nfs/dbraw/zinc/54/97/06/1041549706.db2.gz RCRIHHVLSZBJGZ-MNOVXSKESA-N -1 0 331.865 3.758 20 0 EHADRM O=S(=O)([N-]c1cccnc1Oc1ccccc1)c1ccc(F)cc1 ZINC000047211889 1041578173 /nfs/dbraw/zinc/57/81/73/1041578173.db2.gz FEHMEVGHLLJBRD-UHFFFAOYSA-N -1 0 344.367 3.814 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(C(=O)[O-])s2)CCc2ccc(Cl)cc21 ZINC000652092256 1041591705 /nfs/dbraw/zinc/59/17/05/1041591705.db2.gz HJOMUXIWMMSMRJ-JTQLQIEISA-N -1 0 349.839 3.902 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000432110216 1041603436 /nfs/dbraw/zinc/60/34/36/1041603436.db2.gz HQVVMIYMMRRPGO-UVFQYZLESA-N -1 0 347.455 3.729 20 0 EHADRM Cc1ccccc1C[C@H](C)NC(=O)c1c(C)ccc(C)c1C(=O)[O-] ZINC000392360045 1041625963 /nfs/dbraw/zinc/62/59/63/1041625963.db2.gz AFLBGCPBSCBZKE-HNNXBMFYSA-N -1 0 325.408 3.671 20 0 EHADRM Fc1ccc(C2(CN=c3[n-]nc(C(F)F)o3)CCCC2)c(F)c1 ZINC000432141014 1041642146 /nfs/dbraw/zinc/64/21/46/1041642146.db2.gz SLSAORAVSSJQIH-UHFFFAOYSA-N -1 0 329.297 3.631 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2cccc3cccnc32)c(C)c1 ZINC000047454341 1041645218 /nfs/dbraw/zinc/64/52/18/1041645218.db2.gz AIZDPJWMMYTDFN-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM Cc1ccccc1[C@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000909343401 1041673652 /nfs/dbraw/zinc/67/36/52/1041673652.db2.gz SAZYZMVWBHEGFY-YVEFUNNKSA-N -1 0 347.361 3.709 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)N[C@@H]3CC[C@H](C(=O)[O-])C3)cc2s1 ZINC000647694793 1041713062 /nfs/dbraw/zinc/71/30/62/1041713062.db2.gz WDHGGMXLOOQPRX-WDEREUQCSA-N -1 0 347.440 3.795 20 0 EHADRM CC(C)(CNC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000326893275 1042075079 /nfs/dbraw/zinc/07/50/79/1042075079.db2.gz GKFBSQKUXPDOEM-NRFANRHFSA-N -1 0 339.435 3.513 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000320926879 1042083641 /nfs/dbraw/zinc/08/36/41/1042083641.db2.gz FNDZPSGEKDPZQY-LBPRGKRZSA-N -1 0 335.787 3.864 20 0 EHADRM Cc1cc(Br)c(F)cc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000184151347 1042174156 /nfs/dbraw/zinc/17/41/56/1042174156.db2.gz UHBVWRVDMTYXRQ-UHFFFAOYSA-N -1 0 346.196 3.726 20 0 EHADRM O=C(NCCc1cccc(Cl)c1)c1cc(F)c([O-])c(Cl)c1 ZINC000184189068 1042213033 /nfs/dbraw/zinc/21/30/33/1042213033.db2.gz HZEGKHUDRQHDPK-UHFFFAOYSA-N -1 0 328.170 3.811 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2c(F)cccc2Cl)c(C)c1 ZINC000125632475 1042357396 /nfs/dbraw/zinc/35/73/96/1042357396.db2.gz UISIUXTUGNWSHS-UHFFFAOYSA-N -1 0 343.807 3.987 20 0 EHADRM CC[C@H](C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccc(F)cc1 ZINC000653328096 1042395194 /nfs/dbraw/zinc/39/51/94/1042395194.db2.gz DJQYQDHGQBHJSU-WBAXXEDZSA-N -1 0 341.382 3.749 20 0 EHADRM Cc1cc(N2CCCC2)ccc1NC(=O)C1(C(=O)[O-])CCCCCC1 ZINC000663058917 1042405511 /nfs/dbraw/zinc/40/55/11/1042405511.db2.gz BEUJBAKZDPKRFM-UHFFFAOYSA-N -1 0 344.455 3.959 20 0 EHADRM CC(C)c1n[n-]c(=N[C@@H]2COc3c2ccc(Cl)c3Cl)s1 ZINC000432243988 1042417231 /nfs/dbraw/zinc/41/72/31/1042417231.db2.gz ZPDCQWFZPRIPJI-SECBINFHSA-N -1 0 330.240 3.936 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000663085217 1042436639 /nfs/dbraw/zinc/43/66/39/1042436639.db2.gz FHYJWPSRKSBANF-HNNXBMFYSA-N -1 0 342.395 3.904 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc2)cs1 ZINC000663095152 1042444189 /nfs/dbraw/zinc/44/41/89/1042444189.db2.gz VLRYIUDJKZCQHF-CQSZACIVSA-N -1 0 332.425 3.804 20 0 EHADRM CN(Cc1csc(Br)c1)[C@H](C(=O)[O-])c1ccsc1 ZINC000652398414 1042448852 /nfs/dbraw/zinc/44/88/52/1042448852.db2.gz AMOZNSNVADMAKA-NSHDSACASA-N -1 0 346.271 3.830 20 0 EHADRM Cc1cc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)ccc1Oc1cccnc1 ZINC000663111862 1042462464 /nfs/dbraw/zinc/46/24/64/1042462464.db2.gz UXIZDINRFSGCLO-MRXNPFEDSA-N -1 0 342.395 3.868 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1ccccc1Cc1ccccc1)C1CCC1 ZINC000663147759 1042492350 /nfs/dbraw/zinc/49/23/50/1042492350.db2.gz OHCCZDPWZZRREA-IBGZPJMESA-N -1 0 337.419 3.508 20 0 EHADRM C[C@@H](C(=O)NC[C@H](C(=O)[O-])C1CCC1)c1c(Cl)cccc1Cl ZINC000663149628 1042495313 /nfs/dbraw/zinc/49/53/13/1042495313.db2.gz YRUMGARORSKFHN-KOLCDFICSA-N -1 0 344.238 3.714 20 0 EHADRM Cc1oc(-c2cccs2)nc1CN(CC(=O)[O-])C1CCCCC1 ZINC000652482884 1042499893 /nfs/dbraw/zinc/49/98/93/1042499893.db2.gz ZDGFEHBALFKEBU-UHFFFAOYSA-N -1 0 334.441 3.931 20 0 EHADRM CC(C)(C)c1nc(CN2CCc3cccc(C(=O)[O-])c3C2)cs1 ZINC000652488243 1042500950 /nfs/dbraw/zinc/50/09/50/1042500950.db2.gz LAUSYNUOUYJWOH-UHFFFAOYSA-N -1 0 330.453 3.697 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)CCc1c(Cl)cccc1Cl)C1CCC1 ZINC000663158186 1042502111 /nfs/dbraw/zinc/50/21/11/1042502111.db2.gz UCFZUYOUGLJNPI-LBPRGKRZSA-N -1 0 344.238 3.543 20 0 EHADRM O=C(c1ccc(Cl)cc1[O-])N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000184391556 1042505443 /nfs/dbraw/zinc/50/54/43/1042505443.db2.gz OEMRMEPBDMUGEV-SNVBAGLBSA-N -1 0 327.767 3.766 20 0 EHADRM O=C(NCc1ccccc1OCC1CC1)c1cc(F)c([O-])c(Cl)c1 ZINC000184431971 1042541375 /nfs/dbraw/zinc/54/13/75/1042541375.db2.gz KSJCNVOIRIQRKI-UHFFFAOYSA-N -1 0 349.789 3.904 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC34CCCC4)n2)cc1 ZINC000652573685 1042549685 /nfs/dbraw/zinc/54/96/85/1042549685.db2.gz YPHFNBAXQKZIHX-UHFFFAOYSA-N -1 0 339.439 3.860 20 0 EHADRM Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)ccc1Cl ZINC000659194749 1042740303 /nfs/dbraw/zinc/74/03/03/1042740303.db2.gz UTSULXQXENICRE-IJEWVQPXSA-N -1 0 335.831 3.754 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)C1(C)C ZINC000659194915 1042752747 /nfs/dbraw/zinc/75/27/47/1042752747.db2.gz NKZWIHVSIDLGIP-ZOFXXKQRSA-N -1 0 333.472 3.717 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c(F)c1 ZINC000303295909 1042925538 /nfs/dbraw/zinc/92/55/38/1042925538.db2.gz PBKIYJFMOITZKG-UHFFFAOYSA-N -1 0 333.306 3.954 20 0 EHADRM O=C([O-])[C@H](CC(F)(F)F)NC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000314374135 1042978675 /nfs/dbraw/zinc/97/86/75/1042978675.db2.gz AAZUVQQAPCMBBX-QMMMGPOBSA-N -1 0 345.104 3.521 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2csc3c2CCCC3)c2ccccc21 ZINC000653332931 1042981943 /nfs/dbraw/zinc/98/19/43/1042981943.db2.gz KARVSPOGBZWSCG-GDBMZVCRSA-N -1 0 341.432 3.670 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnccc2-c2ccccc2)s1 ZINC000432353483 1042989851 /nfs/dbraw/zinc/98/98/51/1042989851.db2.gz MEQROLUPUNQWGL-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1cnccc1-c1ccccc1 ZINC000432357684 1042993323 /nfs/dbraw/zinc/99/33/23/1042993323.db2.gz MOKPGZFKXYRGKQ-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM CCc1cc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)sc1C ZINC000319737681 1043001084 /nfs/dbraw/zinc/00/10/84/1043001084.db2.gz COQFOJDNOARXCJ-OAHLLOKOSA-N -1 0 331.437 3.955 20 0 EHADRM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(C)C)cc1 ZINC000316304442 1043014902 /nfs/dbraw/zinc/01/49/02/1043014902.db2.gz WNKIISJZMPBTAF-UHFFFAOYSA-N -1 0 339.438 3.679 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(OC3CCCCC3)cc2)C[C@@H]1C(=O)[O-] ZINC000647752462 1043251827 /nfs/dbraw/zinc/25/18/27/1043251827.db2.gz MYDNICSVBDEWGJ-KDOFPFPSSA-N -1 0 345.439 3.581 20 0 EHADRM Cc1ccc(NC(=O)N(C)C2(C(=O)[O-])CCCC2)cc1C(F)(F)F ZINC000326657194 1043449087 /nfs/dbraw/zinc/44/90/87/1043449087.db2.gz HXWUAIMXDTUQED-UHFFFAOYSA-N -1 0 344.333 3.875 20 0 EHADRM C[C@H]1c2cc(F)cc(F)c2CCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000344240402 1043506984 /nfs/dbraw/zinc/50/69/84/1043506984.db2.gz MOKIQEJZTSMOGU-VIFPVBQESA-N -1 0 347.390 3.794 20 0 EHADRM Cc1ncc(CNCc2ccc(-c3ccccc3Cl)o2)c(=O)[nH]1 ZINC000344328137 1043657511 /nfs/dbraw/zinc/65/75/11/1043657511.db2.gz QJXUAXODWABDAN-UHFFFAOYSA-N -1 0 329.787 3.694 20 0 EHADRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1ccc(O)c(Cl)c1)CC2 ZINC000067006376 1043771492 /nfs/dbraw/zinc/77/14/92/1043771492.db2.gz ODEZRPZZNWSPMU-POHAHGRESA-N -1 0 332.739 3.858 20 0 EHADRM CCCc1cc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])sc1C ZINC000319913664 1043790810 /nfs/dbraw/zinc/79/08/10/1043790810.db2.gz DISHQYYDTRHYOT-KFWWJZLASA-N -1 0 335.469 3.867 20 0 EHADRM Cc1ccc(C(=O)N(CCC(F)(F)F)CC(F)(F)F)c(O)c1 ZINC000279548460 1044218107 /nfs/dbraw/zinc/21/81/07/1044218107.db2.gz IZXZCBIPRMPOFS-UHFFFAOYSA-N -1 0 329.240 3.658 20 0 EHADRM O=S(=O)(N[C@@H]1CC[C@H](F)C1)c1ccc(Cl)cc1C(F)(F)F ZINC000344925029 1044696705 /nfs/dbraw/zinc/69/67/05/1044696705.db2.gz XCFSLGIACPMJDA-DTWKUNHWSA-N -1 0 345.745 3.528 20 0 EHADRM O=S(=O)(C=C([O-])c1ccccc1F)c1ccc(Cl)cc1Cl ZINC000322484666 1125578692 /nfs/dbraw/zinc/57/86/92/1125578692.db2.gz LXCIVIMSOXRLDA-UHFFFAOYSA-N -1 0 347.194 3.789 20 0 EHADRM Cc1nc(-c2ccccc2)sc1CNC(=O)c1ccc(O)cc1F ZINC000154858013 1125761211 /nfs/dbraw/zinc/76/12/11/1125761211.db2.gz OOEJGGSYTRNWAD-UHFFFAOYSA-N -1 0 342.395 3.893 20 0 EHADRM Cc1[nH]nc(C(F)F)c1NC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000622478759 1126705376 /nfs/dbraw/zinc/70/53/76/1126705376.db2.gz SGIOWZVWVWJEFQ-UHFFFAOYSA-N -1 0 335.232 3.632 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000336874921 1126813505 /nfs/dbraw/zinc/81/35/05/1126813505.db2.gz ZDVCMORBULGJPS-INIZCTEOSA-N -1 0 331.799 3.984 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000062842725 1126819815 /nfs/dbraw/zinc/81/98/15/1126819815.db2.gz ZIUWSGVOHJAWGZ-UHFFFAOYSA-N -1 0 331.199 3.712 20 0 EHADRM O=C(CC1CC(F)(F)C1)N=c1ccc(-c2ccc(Cl)s2)n[n-]1 ZINC000622929499 1126834426 /nfs/dbraw/zinc/83/44/26/1126834426.db2.gz SRUVVEAGDWASNM-UHFFFAOYSA-N -1 0 343.786 3.654 20 0 EHADRM O=C(NCCCOc1ccccc1)c1ccc2[n-]c(=S)oc2c1 ZINC000072831350 1126902521 /nfs/dbraw/zinc/90/25/21/1126902521.db2.gz QOMUCRBXTDZCBQ-UHFFFAOYSA-N -1 0 328.393 3.689 20 0 EHADRM Fc1ccc(-c2noc(=N[C@H]3CCO[C@H](c4ccccc4)C3)[n-]2)cc1 ZINC000624104720 1127252120 /nfs/dbraw/zinc/25/21/20/1127252120.db2.gz HMVMJUGEQZKWGC-IRXDYDNUSA-N -1 0 339.370 3.630 20 0 EHADRM Cn1nc(C2CCCC2)cc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000181106425 1127266735 /nfs/dbraw/zinc/26/67/35/1127266735.db2.gz XFFAXYXDUJEGRN-UHFFFAOYSA-N -1 0 339.848 3.532 20 0 EHADRM C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000184213602 1127398059 /nfs/dbraw/zinc/39/80/59/1127398059.db2.gz FFDITWNRJAFDNT-SKDRFNHKSA-N -1 0 341.370 3.783 20 0 EHADRM Cc1ccccc1[C@@H]([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)C(C)(C)C ZINC000184647441 1127409887 /nfs/dbraw/zinc/40/98/87/1127409887.db2.gz DJWWVHYZZPWNCZ-WCQYABFASA-N -1 0 337.407 3.952 20 0 EHADRM CON(C(=O)c1ccc([O-])c(Cl)c1)[C@@H]1CCCOc2ccccc21 ZINC000764672934 1127521099 /nfs/dbraw/zinc/52/10/99/1127521099.db2.gz UCYYSWRYBFKDBW-OAHLLOKOSA-N -1 0 347.798 3.963 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)Nc1ccc2c(c1)Cc1ccccc1-2)C1CC1 ZINC000383009044 1127527030 /nfs/dbraw/zinc/52/70/30/1127527030.db2.gz BHWKMVQEHWNNEV-LBPRGKRZSA-N -1 0 336.391 3.727 20 0 EHADRM O=S(=O)([N-]c1csc(-c2ccccc2)n1)c1ccccc1F ZINC000671663571 1127769913 /nfs/dbraw/zinc/76/99/13/1127769913.db2.gz ZFTJKDZGLYHTLH-UHFFFAOYSA-N -1 0 334.397 3.750 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)s1 ZINC000032531953 1127852642 /nfs/dbraw/zinc/85/26/42/1127852642.db2.gz BPNJGVAHBDTMFN-UHFFFAOYSA-N -1 0 337.344 3.756 20 0 EHADRM CCCOc1cccc([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000032599787 1127854508 /nfs/dbraw/zinc/85/45/08/1127854508.db2.gz KKKZJUZEJVOLDT-UHFFFAOYSA-N -1 0 327.352 3.554 20 0 EHADRM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1ccc(Cl)s1 ZINC000105389938 1127947778 /nfs/dbraw/zinc/94/77/78/1127947778.db2.gz MJPNGHAZXWDLHT-UHFFFAOYSA-N -1 0 327.736 3.620 20 0 EHADRM c1cc(-c2ccccc2)oc1CN=c1[n-]nc(C2CCOCC2)s1 ZINC000338657244 1128002955 /nfs/dbraw/zinc/00/29/55/1128002955.db2.gz YZVQRNJZAAGADB-UHFFFAOYSA-N -1 0 341.436 3.726 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1C ZINC000472792529 1128017676 /nfs/dbraw/zinc/01/76/76/1128017676.db2.gz VBABPJDKDZJNTG-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM C[C@H](CNC(=O)c1ccc(Oc2ccc(F)cc2F)cc1)CC(=O)[O-] ZINC000347527066 1128043523 /nfs/dbraw/zinc/04/35/23/1128043523.db2.gz VLZZXGJBVRFXLG-NSHDSACASA-N -1 0 349.333 3.598 20 0 EHADRM COc1cc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])ccc1OC(C)C ZINC000029028271 1128137639 /nfs/dbraw/zinc/13/76/39/1128137639.db2.gz DFXSRARGAWPQJH-YBFXNURJSA-N -1 0 344.367 3.715 20 0 EHADRM CC(C)(C)c1nsc([N-]C(=O)c2cc(-c3ccccc3)no2)n1 ZINC000068072469 1128258282 /nfs/dbraw/zinc/25/82/82/1128258282.db2.gz IAVPHMUSTYCEGI-UHFFFAOYSA-N -1 0 328.397 3.743 20 0 EHADRM COc1c(Cl)cccc1NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000067456325 1128241537 /nfs/dbraw/zinc/24/15/37/1128241537.db2.gz LTHQYMQUSVMCQC-SFHVURJKSA-N -1 0 347.798 3.720 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(Br)cc(Cl)c2[O-])C[C@H]1C ZINC000073147825 1128317356 /nfs/dbraw/zinc/31/73/56/1128317356.db2.gz HDXFGSOIGRUTEC-OCAPTIKFSA-N -1 0 332.625 3.536 20 0 EHADRM COC1CCC(Nc2cc3c(CC(=O)[O-])c[nH]c3cc2Cl)CC1 ZINC001168611382 1128376619 /nfs/dbraw/zinc/37/66/19/1128376619.db2.gz UEFLKQRSTYEQGH-UHFFFAOYSA-N -1 0 336.819 3.818 20 0 EHADRM CN(C)[C@H](CN=c1[n-]c(-c2ccccc2)no1)c1ccccc1Cl ZINC000624553821 1128393236 /nfs/dbraw/zinc/39/32/36/1128393236.db2.gz NNPZIVFCPKCZAK-MRXNPFEDSA-N -1 0 342.830 3.527 20 0 EHADRM Clc1cccc(C2(CN=c3[n-]nc(C4CCOCC4)s3)CC2)c1 ZINC000338671559 1128442178 /nfs/dbraw/zinc/44/21/78/1128442178.db2.gz GQMZIUWAXFBBNC-UHFFFAOYSA-N -1 0 349.887 3.651 20 0 EHADRM O=C(NCCc1cccc(F)c1F)c1ccc2[n-]c(=S)oc2c1 ZINC000073612369 1128447819 /nfs/dbraw/zinc/44/78/19/1128447819.db2.gz GRONDJBZVRLRPL-UHFFFAOYSA-N -1 0 334.347 3.741 20 0 EHADRM CN(C(=O)c1nn(-c2ccccc2)cc1[O-])C(C)(C)c1ccccc1 ZINC000671892334 1128477795 /nfs/dbraw/zinc/47/77/95/1128477795.db2.gz VADMTNPEJBVZBR-UHFFFAOYSA-N -1 0 335.407 3.585 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1C ZINC000655869615 1128513744 /nfs/dbraw/zinc/51/37/44/1128513744.db2.gz HGRNNCIWKGAVRK-YQFWSFKMSA-N -1 0 346.471 3.799 20 0 EHADRM CC(C)(C)c1n[n-]c(=NCc2ccccc2OCc2ccccc2)o1 ZINC000542754461 1128574921 /nfs/dbraw/zinc/57/49/21/1128574921.db2.gz AOKLJMNETOSJQL-UHFFFAOYSA-N -1 0 337.423 3.980 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)nn2C)s1 ZINC000542863989 1128708780 /nfs/dbraw/zinc/70/87/80/1128708780.db2.gz KTRVYJBOCFJPNX-UHFFFAOYSA-N -1 0 339.486 3.502 20 0 EHADRM O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ncccc1[O-] ZINC000624769057 1128713820 /nfs/dbraw/zinc/71/38/20/1128713820.db2.gz DWRZWKLQSPKEPE-UHFFFAOYSA-N -1 0 330.347 3.583 20 0 EHADRM Cc1cc(N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)ncc1Br ZINC000656091499 1128733451 /nfs/dbraw/zinc/73/34/51/1128733451.db2.gz FCPHQXQNQDQGPG-OUAUKWLOSA-N -1 0 341.249 3.700 20 0 EHADRM Fc1cccc([C@H]2CC[C@H](N=c3[n-]nc(C4CCOCC4)s3)C2)c1 ZINC000338720568 1128755564 /nfs/dbraw/zinc/75/55/64/1128755564.db2.gz YJTXFWFPDSXEEF-HOCLYGCPSA-N -1 0 347.459 3.741 20 0 EHADRM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000007055837 1128846085 /nfs/dbraw/zinc/84/60/85/1128846085.db2.gz AJRZRVAQFPTIDJ-UHFFFAOYSA-N -1 0 349.452 3.902 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)CCc2ccc3ccccc3c2)C1 ZINC000263006692 1120313144 /nfs/dbraw/zinc/31/31/44/1120313144.db2.gz WVOZRBWAMVYRHM-OAQYLSRUSA-N -1 0 339.435 3.732 20 0 EHADRM CCCCOc1ccccc1CN[C@@H](CC)c1nc(C(=O)[O-])c[nH]1 ZINC000904065178 1120351551 /nfs/dbraw/zinc/35/15/51/1120351551.db2.gz PJQUTKLCLPEPHI-AWEZNQCLSA-N -1 0 331.416 3.528 20 0 EHADRM COc1cc(C)c([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1F ZINC000187068968 1120485578 /nfs/dbraw/zinc/48/55/78/1120485578.db2.gz IQPUDBNDVLDKBH-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM Cc1occc1S([O-])=CC(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000189625971 1120602109 /nfs/dbraw/zinc/60/21/09/1120602109.db2.gz QFAMCCIUKBJCSL-LFPIHBKWSA-N -1 0 347.480 3.772 20 0 EHADRM COc1ccc(OC)c([N-]S(=O)(=O)c2cc(C)c(Cl)s2)c1 ZINC000190187212 1120629129 /nfs/dbraw/zinc/62/91/29/1120629129.db2.gz GERNJZSTTYYBBT-UHFFFAOYSA-N -1 0 347.845 3.528 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1OC(F)(F)F ZINC000190868826 1120652513 /nfs/dbraw/zinc/65/25/13/1120652513.db2.gz DASYPSFKFXLBLN-UHFFFAOYSA-N -1 0 339.269 3.844 20 0 EHADRM Cc1cc(C(=O)[N-]c2nnc(-c3cc4ccccc4o3)s2)on1 ZINC000191843168 1120698190 /nfs/dbraw/zinc/69/81/90/1120698190.db2.gz MGSKPQROTVQUHO-UHFFFAOYSA-N -1 0 326.337 3.500 20 0 EHADRM COCCc1ccccc1[N-]S(=O)(=O)c1cccc(C)c1Cl ZINC000191889759 1120701936 /nfs/dbraw/zinc/70/19/36/1120701936.db2.gz HFQCWNNCOBXJGP-UHFFFAOYSA-N -1 0 339.844 3.638 20 0 EHADRM CCCSc1nc(=NC(=O)Nc2cccc3[nH]ccc32)s[n-]1 ZINC000494773807 1120794544 /nfs/dbraw/zinc/79/45/44/1120794544.db2.gz ULZUGJGEJBTCDV-UHFFFAOYSA-N -1 0 333.442 3.587 20 0 EHADRM CCO[C@@H](C)c1nc(CO[N-]C(=O)C(C)(C)c2ccccc2)cs1 ZINC000076697117 1128942148 /nfs/dbraw/zinc/94/21/48/1128942148.db2.gz UCEOFOYTEPQINL-ZDUSSCGKSA-N -1 0 348.468 3.766 20 0 EHADRM Cc1cnc(C(=O)Nc2ccccc2O[C@@H](C)C(F)(F)F)c([O-])c1 ZINC000494797957 1120828382 /nfs/dbraw/zinc/82/83/82/1120828382.db2.gz XKGHDIFRSPXSCS-JTQLQIEISA-N -1 0 340.301 3.678 20 0 EHADRM CCc1ncnc(CC)c1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000494996168 1120928500 /nfs/dbraw/zinc/92/85/00/1120928500.db2.gz HDMVJZVMXNIKMZ-UHFFFAOYSA-N -1 0 340.210 3.866 20 0 EHADRM CCCCC[C@@H]1CCCN1C(=O)N=c1[n-]nc(C(F)(F)F)s1 ZINC000495122617 1120962277 /nfs/dbraw/zinc/96/22/77/1120962277.db2.gz YIFZHHUTBSGLTP-SECBINFHSA-N -1 0 336.383 3.555 20 0 EHADRM Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC000914729866 1120966395 /nfs/dbraw/zinc/96/63/95/1120966395.db2.gz YEQOLRQSPYHCAB-UHFFFAOYSA-N -1 0 345.370 3.973 20 0 EHADRM COC(=O)Nc1ccc(C(=O)Nc2cc(F)cc(Cl)c2[O-])cc1 ZINC000495467695 1121222060 /nfs/dbraw/zinc/22/20/60/1121222060.db2.gz JOMQRIBOSQBWJY-UHFFFAOYSA-N -1 0 338.722 3.615 20 0 EHADRM Cc1ncnc(-c2nc(-c3ccc4[n-]c(=S)sc4c3)no2)c1C ZINC001212453050 1128972184 /nfs/dbraw/zinc/97/21/84/1128972184.db2.gz LWBLKTDKLKEGDY-UHFFFAOYSA-N -1 0 341.421 3.709 20 0 EHADRM O=S(=O)([N-][C@H]1CCCC1(F)F)c1cc(Cl)sc1Cl ZINC000672431048 1128975672 /nfs/dbraw/zinc/97/56/72/1128975672.db2.gz QWLMHZVJBRELMQ-LURJTMIESA-N -1 0 336.212 3.521 20 0 EHADRM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1c([O-])cc(F)cc1F ZINC000077108665 1128989405 /nfs/dbraw/zinc/98/94/05/1128989405.db2.gz TWLXXUWHELHVLG-PWSUYJOCSA-N -1 0 335.325 3.828 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])Cc1csc(-c2cccc(OC)c2)n1 ZINC000236965982 1121469554 /nfs/dbraw/zinc/46/95/54/1121469554.db2.gz BWPDDKDRAUHTSI-LBPRGKRZSA-N -1 0 334.441 3.504 20 0 EHADRM COc1ccc([C@@H](C)N(C)C(=O)/C=C/c2ccc(C(=O)[O-])cc2)cc1 ZINC000237181810 1121476423 /nfs/dbraw/zinc/47/64/23/1121476423.db2.gz QSYCQRREJOCZIZ-YGLIYXGISA-N -1 0 339.391 3.626 20 0 EHADRM COc1ccc(CCCCC(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000237206638 1121477058 /nfs/dbraw/zinc/47/70/58/1121477058.db2.gz CREXXEBOXAOCSC-UHFFFAOYSA-N -1 0 341.407 3.674 20 0 EHADRM COc1ccc([C@H](C)N(C)C(=O)/C=C/c2ccc(C(=O)[O-])cc2)cc1 ZINC000237242191 1121478270 /nfs/dbraw/zinc/47/82/70/1121478270.db2.gz QSYCQRREJOCZIZ-BLXFFLACSA-N -1 0 339.391 3.626 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)c2cc(Cl)ccc2Cl)c1 ZINC000237981513 1121499329 /nfs/dbraw/zinc/49/93/29/1121499329.db2.gz WPBHTADRXRTOQD-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM O=C([O-])C1CCN(C(=O)/C=C/c2cccc(-c3ccccc3)c2)CC1 ZINC000238031311 1121500534 /nfs/dbraw/zinc/50/05/34/1121500534.db2.gz WHOTZUAEOGIUHX-MDZDMXLPSA-N -1 0 335.403 3.690 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCc2ccccc2OC2CCCC2)s1 ZINC000238020750 1121500673 /nfs/dbraw/zinc/50/06/73/1121500673.db2.gz LVOCNFUEXNQUSU-UHFFFAOYSA-N -1 0 345.420 3.698 20 0 EHADRM C[C@@H](Oc1cccc(F)c1)C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000762968277 1121619684 /nfs/dbraw/zinc/61/96/84/1121619684.db2.gz VEQLIFDXASPHHL-SECBINFHSA-N -1 0 332.356 3.662 20 0 EHADRM CC1=NN(c2ccc(C(=O)Nc3ccc(/C=C\C(=O)[O-])cc3)cc2)CC1 ZINC000915855342 1121692082 /nfs/dbraw/zinc/69/20/82/1121692082.db2.gz REAMUPMBRDBGPQ-WCIBSUBMSA-N -1 0 349.390 3.623 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(OC(F)(F)F)cc2)ccc1F ZINC000324448895 1121868274 /nfs/dbraw/zinc/86/82/74/1121868274.db2.gz GKZGKQNIUWXHSX-UHFFFAOYSA-N -1 0 343.232 3.675 20 0 EHADRM CC(C)COc1ccc(C2(C(=O)N[C@H](C)CCC(=O)[O-])CCC2)cc1 ZINC000347466438 1121884391 /nfs/dbraw/zinc/88/43/91/1121884391.db2.gz QEAZFONMPFVCHA-OAHLLOKOSA-N -1 0 347.455 3.513 20 0 EHADRM O=C(Nc1cccc(-c2nccs2)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000056093406 1121913077 /nfs/dbraw/zinc/91/30/77/1121913077.db2.gz RIUVUYXFPOUXAW-UHFFFAOYSA-N -1 0 347.399 3.904 20 0 EHADRM CC(C)COc1cccc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1 ZINC000326642549 1121972798 /nfs/dbraw/zinc/97/27/98/1121972798.db2.gz ACHYJMJURXYFAB-OLMNPRSZSA-N -1 0 345.439 3.579 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccccc1Cl)c1cccc2ccccc21 ZINC000916797060 1122354685 /nfs/dbraw/zinc/35/46/85/1122354685.db2.gz DUCJGCGAJUHPIC-UHFFFAOYSA-N -1 0 345.807 3.612 20 0 EHADRM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1ccc(=O)[nH]c1 ZINC000127607363 1122496955 /nfs/dbraw/zinc/49/69/55/1122496955.db2.gz ACKCNYKQXOHRLP-UHFFFAOYSA-N -1 0 333.558 3.705 20 0 EHADRM C[C@H](CC1CC1)NC(=O)N=c1[n-]nc(C(C)(C)c2ccccc2)s1 ZINC000497698451 1122638715 /nfs/dbraw/zinc/63/87/15/1122638715.db2.gz DHIOQQVUNREYQG-GFCCVEGCSA-N -1 0 344.484 3.596 20 0 EHADRM C[C@H]1CN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC[C@H]1c1ccccc1 ZINC000262708359 1122742042 /nfs/dbraw/zinc/74/20/42/1122742042.db2.gz KNWQPUFTWXDGSB-LEUOFYLZSA-N -1 0 329.440 3.530 20 0 EHADRM Cc1nc(CC(C)C)oc1C(=O)N=c1cc(-c2cccc(F)c2)o[nH]1 ZINC000556111071 1122819366 /nfs/dbraw/zinc/81/93/66/1122819366.db2.gz FAXSMMGVDCZTDD-UHFFFAOYSA-N -1 0 343.358 3.650 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2O)cc1Cl ZINC000078002284 1129090321 /nfs/dbraw/zinc/09/03/21/1129090321.db2.gz CFKHQPVXFZTEQT-UHFFFAOYSA-N -1 0 348.207 3.508 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)NC2(c3ccccc3)CCCCC2)C1 ZINC000498628571 1122998037 /nfs/dbraw/zinc/99/80/37/1122998037.db2.gz WFDXEKPRUNDDKG-HOTGVXAUSA-N -1 0 329.440 3.853 20 0 EHADRM C[C@@H]1SCCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)[C@H]1c1ccccc1 ZINC000262874428 1123061059 /nfs/dbraw/zinc/06/10/59/1123061059.db2.gz DKHKOPHSSLNUPD-QSPRXWTASA-N -1 0 347.480 3.583 20 0 EHADRM CCCCCOc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000131308189 1123077753 /nfs/dbraw/zinc/07/77/53/1123077753.db2.gz ZEWYLFJHUCTDCH-UHFFFAOYSA-N -1 0 338.429 3.661 20 0 EHADRM C[C@@H]1CN(C(=O)c2cccc(Br)c2[O-])c2ccccc21 ZINC000556953888 1123232445 /nfs/dbraw/zinc/23/24/45/1123232445.db2.gz OPXCNCUUGXJPLU-SNVBAGLBSA-N -1 0 332.197 3.919 20 0 EHADRM O=S(=O)([N-]c1ccccc1SCc1ccccc1)c1cn[nH]c1 ZINC000919955949 1123245325 /nfs/dbraw/zinc/24/53/25/1123245325.db2.gz OIFDMCBZJYXXHR-UHFFFAOYSA-N -1 0 345.449 3.503 20 0 EHADRM Cc1cc2cccnc2c([N-]S(=O)(=O)c2cccc3ncccc32)c1 ZINC000132781682 1123300561 /nfs/dbraw/zinc/30/05/61/1123300561.db2.gz BHOVEJMBDXQUSO-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM O=C(Nc1nc(CN2CCCCCC2)cs1)c1c([O-])cccc1F ZINC000132820697 1123304424 /nfs/dbraw/zinc/30/44/24/1123304424.db2.gz OTXMCTDVEFMFOW-UHFFFAOYSA-N -1 0 349.431 3.616 20 0 EHADRM CC(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000074752732 1123328761 /nfs/dbraw/zinc/32/87/61/1123328761.db2.gz DBBGKKJZBSBKFD-UHFFFAOYSA-N -1 0 347.436 3.600 20 0 EHADRM CCC/C(C)=C\C(=O)[N-]S(=O)(=O)c1cc(C(C)(C)C)ccc1C ZINC000920321497 1123356830 /nfs/dbraw/zinc/35/68/30/1123356830.db2.gz NRWAZRRNHDIQFT-QBFSEMIESA-N -1 0 337.485 3.844 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@H]1CCCC[C@@H]1C1CC1 ZINC000649245119 1123366766 /nfs/dbraw/zinc/36/67/66/1123366766.db2.gz PYDIKFYQFJRMGH-CVEARBPZSA-N -1 0 331.412 3.613 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC4(CCC4)C3)n2)cc1 ZINC000163274676 1123386944 /nfs/dbraw/zinc/38/69/44/1123386944.db2.gz SUOPIPHIQLAMOK-UHFFFAOYSA-N -1 0 339.439 3.718 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2ccccc2-n2ccc(C(=O)[O-])n2)cc1 ZINC000236702524 1123453802 /nfs/dbraw/zinc/45/38/02/1123453802.db2.gz SEWUDYCTTNXLMK-UHFFFAOYSA-N -1 0 349.390 3.946 20 0 EHADRM COc1ccc(C[C@H](C)C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000237230948 1123501675 /nfs/dbraw/zinc/50/16/75/1123501675.db2.gz GKKVEODQSALJCQ-NSHDSACASA-N -1 0 347.798 3.864 20 0 EHADRM C[C@@H](CC(=O)Nc1cc(C(=O)[O-])ccc1F)Cc1cccc(F)c1 ZINC000237552994 1123524688 /nfs/dbraw/zinc/52/46/88/1123524688.db2.gz VQGNIXLSMMLRNO-LLVKDONJSA-N -1 0 333.334 3.870 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2N2CCc3ccccc32)o1 ZINC000238022712 1123556060 /nfs/dbraw/zinc/55/60/60/1123556060.db2.gz CZYFNUFABNJACI-UHFFFAOYSA-N -1 0 348.358 3.924 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)cc1 ZINC000238052700 1123557532 /nfs/dbraw/zinc/55/75/32/1123557532.db2.gz MZILHBKXBPLXNM-UHFFFAOYSA-N -1 0 345.354 3.868 20 0 EHADRM CC[C@@H](NC(=O)CSc1n[n-]c(=S)s1)c1ccc(C)cc1 ZINC000175094312 1123592876 /nfs/dbraw/zinc/59/28/76/1123592876.db2.gz BOYKLPQFONYPOJ-LLVKDONJSA-N -1 0 339.511 3.869 20 0 EHADRM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3ccc(C)cc3F)c2C)o1 ZINC000135405022 1123609545 /nfs/dbraw/zinc/60/95/45/1123609545.db2.gz UOXLWLYMOAERJE-UHFFFAOYSA-N -1 0 349.387 3.535 20 0 EHADRM O=S(=O)([N-]c1ccccc1C(F)(F)F)c1c(F)cccc1F ZINC000078276250 1123614472 /nfs/dbraw/zinc/61/44/72/1123614472.db2.gz BOCHDEQZTUJOBC-UHFFFAOYSA-N -1 0 337.269 3.784 20 0 EHADRM O=C(Nc1nc(C2CC2)cs1)c1ccc(Br)c([O-])c1 ZINC000135512739 1123624520 /nfs/dbraw/zinc/62/45/20/1123624520.db2.gz KMTFNVZXKXFVRP-UHFFFAOYSA-N -1 0 339.214 3.741 20 0 EHADRM O=S(=O)([N-]c1cccc2ncccc12)c1cccc(Cl)c1F ZINC000135724132 1123641573 /nfs/dbraw/zinc/64/15/73/1123641573.db2.gz UIMSFDBGSDFXFO-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM CN(CCCOc1ccc(F)cc1)C(=O)c1ccc([O-])c(Cl)c1 ZINC000078727154 1123648408 /nfs/dbraw/zinc/64/84/08/1123648408.db2.gz OVBBRDLWLLHTQD-UHFFFAOYSA-N -1 0 337.778 3.726 20 0 EHADRM CN(C(=O)Nc1ccc(F)c(C2CC2)c1)[C@H](C(=O)[O-])c1ccccc1 ZINC000560487511 1123698159 /nfs/dbraw/zinc/69/81/59/1123698159.db2.gz ICHCBKAWLCYSOU-KRWDZBQOSA-N -1 0 342.370 3.993 20 0 EHADRM Cc1nc([N-]S(=O)(=O)c2ccccc2)sc1Cc1ccccc1 ZINC000615273717 1123769445 /nfs/dbraw/zinc/76/94/45/1123769445.db2.gz CPTWWYGILHZVJQ-UHFFFAOYSA-N -1 0 344.461 3.843 20 0 EHADRM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000615280116 1123770774 /nfs/dbraw/zinc/77/07/74/1123770774.db2.gz BBQFUEXZHFKFCZ-DZGCQCFKSA-N -1 0 343.427 3.706 20 0 EHADRM Cc1cccc2[nH]cc(CC(=O)NCCCCCCCC(=O)[O-])c21 ZINC000237671976 1123805700 /nfs/dbraw/zinc/80/57/00/1123805700.db2.gz JQWCQFFETIAQEV-UHFFFAOYSA-N -1 0 330.428 3.560 20 0 EHADRM C[C@@H](CNC(=O)CCCCC(=O)[O-])c1c(Cl)cccc1Cl ZINC000263324101 1123806106 /nfs/dbraw/zinc/80/61/06/1123806106.db2.gz SGEORQXVUZRIED-JTQLQIEISA-N -1 0 332.227 3.858 20 0 EHADRM COc1ccc(N(Cc2cccs2)C(=O)CCCCC(=O)[O-])cc1 ZINC000263326440 1123808811 /nfs/dbraw/zinc/80/88/11/1123808811.db2.gz SWOFAKMWYXPKMX-UHFFFAOYSA-N -1 0 347.436 3.935 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)N(CC2CCCCC2)C2CC2)s1 ZINC000615566517 1123826481 /nfs/dbraw/zinc/82/64/81/1123826481.db2.gz HPMIAZYHJOTXSR-UHFFFAOYSA-N -1 0 336.505 3.834 20 0 EHADRM Cc1c2ccccc2oc1C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000237754536 1123846349 /nfs/dbraw/zinc/84/63/49/1123846349.db2.gz MTBGTJIJAYRXNM-SNPRPXQTSA-N -1 0 327.380 3.599 20 0 EHADRM Cc1cccc(C2(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)CCCC2)c1 ZINC000237924682 1123913366 /nfs/dbraw/zinc/91/33/66/1123913366.db2.gz WIVBOWDTCSFNLX-KRWDZBQOSA-N -1 0 343.467 3.910 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Cc1ccc2ccccc2c1 ZINC000237929542 1123918981 /nfs/dbraw/zinc/91/89/81/1123918981.db2.gz MFIQOYOCUXBPAC-SFHVURJKSA-N -1 0 325.408 3.628 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000263499615 1123991463 /nfs/dbraw/zinc/99/14/63/1123991463.db2.gz YRESRWOLYPCHAO-JTDSTZFVSA-N -1 0 339.435 3.628 20 0 EHADRM CSc1c(F)cccc1[N-]C(=O)c1nnc(C(C)(C)C)s1 ZINC000617274691 1124466828 /nfs/dbraw/zinc/46/68/28/1124466828.db2.gz GEVSMTUSIGMYHF-UHFFFAOYSA-N -1 0 325.434 3.949 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCCC2(CCCC2)CC1 ZINC000617564442 1124654781 /nfs/dbraw/zinc/65/47/81/1124654781.db2.gz RKHQGKVACVTDJF-UHFFFAOYSA-N -1 0 327.346 3.996 20 0 EHADRM CCCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)CCc1ccccc1 ZINC000735209754 1131317054 /nfs/dbraw/zinc/31/70/54/1131317054.db2.gz GTXHMPPAVUVBSJ-QGZVFWFLSA-N -1 0 339.501 3.672 20 0 EHADRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2ccc(C)o2)s1 ZINC000181511428 1124904328 /nfs/dbraw/zinc/90/43/28/1124904328.db2.gz STZLAEOMAQCDFC-CYBMUJFWSA-N -1 0 344.436 3.945 20 0 EHADRM C[C@@]12COC[C@]1(C)CN(C(=O)c1cc(Cl)c3ccccc3c1[O-])C2 ZINC000618028885 1124920105 /nfs/dbraw/zinc/92/01/05/1124920105.db2.gz QVMXFKSQKAQAGH-KDURUIRLSA-N -1 0 345.826 3.697 20 0 EHADRM CC(C)Cc1nc(=NC(=O)[C@H](C)c2ccc(Cl)s2)s[n-]1 ZINC000618348707 1125057893 /nfs/dbraw/zinc/05/78/93/1125057893.db2.gz YOAKKORTWOXDNL-MRVPVSSYSA-N -1 0 329.878 3.616 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ncccc2-c2ccccc2)cc1 ZINC000092389208 1125094954 /nfs/dbraw/zinc/09/49/54/1125094954.db2.gz KMFZAFQMNKTRGO-UHFFFAOYSA-N -1 0 340.404 3.558 20 0 EHADRM O=c1cc(C[C@H]2CCCO2)[n-]n1Cc1ccc(Cl)cc1Cl ZINC000634591497 1125121729 /nfs/dbraw/zinc/12/17/29/1125121729.db2.gz FODWJBJONQHDQX-CYBMUJFWSA-N -1 0 327.211 3.651 20 0 EHADRM CC(C)(C)O[C@H]1C[C@H](NC(=O)c2cc(F)c([O-])c(F)c2)C12CCC2 ZINC000619100458 1125281092 /nfs/dbraw/zinc/28/10/92/1125281092.db2.gz AKYGFNLGJHOTQL-KBPBESRZSA-N -1 0 339.382 3.527 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC([C@@H]2CCCCO2)CC1 ZINC000619165993 1125298244 /nfs/dbraw/zinc/29/82/44/1125298244.db2.gz XQLSJJULDYPXSI-HNNXBMFYSA-N -1 0 341.810 3.606 20 0 EHADRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2ccccc2)nc1C ZINC000182669677 1125350603 /nfs/dbraw/zinc/35/06/03/1125350603.db2.gz AWHNMRXTMDDMLJ-SFHVURJKSA-N -1 0 349.434 3.686 20 0 EHADRM Cc1ccc(-c2csc(Nc3ncnc4nn(C)cc43)n2)c(C)c1 ZINC000163114221 1125391140 /nfs/dbraw/zinc/39/11/40/1125391140.db2.gz YNDKFODJNAPDNU-UHFFFAOYSA-N -1 0 336.424 3.847 20 0 EHADRM Cc1cccc(Oc2ccccc2NC(=O)[C@H]2CC[C@@H]2C(=O)[O-])c1 ZINC000262162119 1125409564 /nfs/dbraw/zinc/40/95/64/1125409564.db2.gz PVHONIUZDXHBCJ-GJZGRUSLSA-N -1 0 325.364 3.837 20 0 EHADRM C[C@@H](C(=O)NN=c1[n-]c(-c2ccc(Cl)cc2)no1)c1ccccc1 ZINC000182964605 1125414324 /nfs/dbraw/zinc/41/43/24/1125414324.db2.gz OCYWYEWGCJNVPN-LLVKDONJSA-N -1 0 342.786 3.637 20 0 EHADRM CC(C)c1cccc(NC(=O)NNC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000183054845 1125429220 /nfs/dbraw/zinc/42/92/20/1125429220.db2.gz DNPGNRUIXHYQLS-UHFFFAOYSA-N -1 0 347.802 3.636 20 0 EHADRM Cc1cc(C)c2c(c1)N(C(=O)c1cc(=O)c3ccccc3[n-]1)CCC2 ZINC000066733016 1129204296 /nfs/dbraw/zinc/20/42/96/1129204296.db2.gz DTUKHGFGBOOIEQ-UHFFFAOYSA-N -1 0 332.403 3.738 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)c2ccc(SC3CC3)cc2)s[n-]1 ZINC000543091246 1129208725 /nfs/dbraw/zinc/20/87/25/1129208725.db2.gz DPROITAPSYZUMV-UHFFFAOYSA-N -1 0 333.482 3.764 20 0 EHADRM Cc1c(C(F)(F)F)[n-][nH]c1=NC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000624872946 1129290930 /nfs/dbraw/zinc/29/09/30/1129290930.db2.gz CVWVUUMADZERCE-CHWSQXEVSA-N -1 0 337.345 3.681 20 0 EHADRM Cc1ccc(Sc2ccc(NC(=O)c3n[nH]c(=O)[n-]3)cc2)cc1C ZINC000080325894 1129346839 /nfs/dbraw/zinc/34/68/39/1129346839.db2.gz HPYZPEKDLGQXOY-UHFFFAOYSA-N -1 0 340.408 3.531 20 0 EHADRM CC(C)(C)[C@H](NC(=O)N=c1ncn(C(C)(C)C)[n-]1)c1ccc(F)cc1 ZINC000543365977 1129438626 /nfs/dbraw/zinc/43/86/26/1129438626.db2.gz MZMXFLDJMXSCKR-CQSZACIVSA-N -1 0 347.438 3.503 20 0 EHADRM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1nccc2sccc21 ZINC000543445845 1129491342 /nfs/dbraw/zinc/49/13/42/1129491342.db2.gz GQOCNLXDVPDVFE-UHFFFAOYSA-N -1 0 340.376 3.516 20 0 EHADRM COc1cc2nc(C)sc2cc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000338874847 1129643777 /nfs/dbraw/zinc/64/37/77/1129643777.db2.gz FWVPJHCVINMNMC-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1cccc(SC)c1 ZINC000509103185 1129751949 /nfs/dbraw/zinc/75/19/49/1129751949.db2.gz NJRHBFCGDPRGJX-UHFFFAOYSA-N -1 0 337.466 3.916 20 0 EHADRM O=C([O-])c1ccc(Nc2c[nH]c(=O)c(C(F)(F)F)c2)c(F)c1F ZINC001212512111 1129920386 /nfs/dbraw/zinc/92/03/86/1129920386.db2.gz VXFKTOSLGOGMQA-UHFFFAOYSA-N -1 0 334.200 3.526 20 0 EHADRM Cc1cccc(-n2nccc2Nc2ccc(C(=O)[O-])c(F)c2F)c1 ZINC001212512662 1129922030 /nfs/dbraw/zinc/92/20/30/1129922030.db2.gz XVKQIYSMXWZSJJ-UHFFFAOYSA-N -1 0 329.306 3.901 20 0 EHADRM Cc1ccc(Cl)c(O[C@@H](C)C(=O)NCc2ccc(O)c(F)c2)c1 ZINC000132901377 1129922272 /nfs/dbraw/zinc/92/22/72/1129922272.db2.gz KAEVDQAJXCRMCM-NSHDSACASA-N -1 0 337.778 3.577 20 0 EHADRM CC1(C)COC(c2ccccc2Nc2ccc(C(=O)[O-])c(F)c2F)=N1 ZINC001212516122 1129928368 /nfs/dbraw/zinc/92/83/68/1129928368.db2.gz ZYYKJROUAKEXFI-UHFFFAOYSA-N -1 0 346.333 3.962 20 0 EHADRM CC(C)Cc1n[n-]c(=NCc2ccc(-n3cnc4ccccc43)cc2)o1 ZINC000347883330 1129976407 /nfs/dbraw/zinc/97/64/07/1129976407.db2.gz DHNIZFAFTVLSAI-UHFFFAOYSA-N -1 0 347.422 3.641 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)C12CC3CC(CC(C3)C1)C2 ZINC000466624627 1129987479 /nfs/dbraw/zinc/98/74/79/1129987479.db2.gz BNEBGBASHPFIDH-UHFFFAOYSA-N -1 0 333.435 3.720 20 0 EHADRM CC1(C)Cc2cc(NC(=O)c3cc(F)c(F)c([O-])c3F)ccc2O1 ZINC000543577972 1129990132 /nfs/dbraw/zinc/99/01/32/1129990132.db2.gz SRBQUPBTHKBPSN-UHFFFAOYSA-N -1 0 337.297 3.775 20 0 EHADRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ncccc1C(C)C ZINC000509219651 1130006778 /nfs/dbraw/zinc/00/67/78/1130006778.db2.gz TYAGIUALOYOURI-UHFFFAOYSA-N -1 0 334.441 3.631 20 0 EHADRM CSc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)ccn1 ZINC000675152839 1130265640 /nfs/dbraw/zinc/26/56/40/1130265640.db2.gz QLTVZZHMJYJNMR-UHFFFAOYSA-N -1 0 349.264 3.911 20 0 EHADRM Cc1ccc2c(n1)[n-]cc(C(=O)N1CC(C)(C)c3ccccc31)c2=O ZINC000675148319 1130267064 /nfs/dbraw/zinc/26/70/64/1130267064.db2.gz LSMQNDGFHSQRJR-UHFFFAOYSA-N -1 0 333.391 3.582 20 0 EHADRM O=C(Nc1ccc(OC2CCC2)c(F)c1)c1c([O-])cc(F)cc1F ZINC000673959510 1130322961 /nfs/dbraw/zinc/32/29/61/1130322961.db2.gz GZWPIYSQJMYHHC-UHFFFAOYSA-N -1 0 337.297 3.993 20 0 EHADRM O=S(=O)([O-])c1ccc2ccc(Nc3cccc(O)c3F)cc2c1 ZINC001212551486 1130363499 /nfs/dbraw/zinc/36/34/99/1130363499.db2.gz UYBBVONFDXDTRW-UHFFFAOYSA-N -1 0 333.340 3.675 20 0 EHADRM C[C@H](C(=O)N(CCC(=O)[O-])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000675969842 1130512213 /nfs/dbraw/zinc/51/22/13/1130512213.db2.gz SDMVJOUQMSVERC-VIFPVBQESA-N -1 0 330.211 3.563 20 0 EHADRM O=C([O-])[C@]1(CC(=O)Nc2cc(C(F)F)ccc2Cl)CCSC1 ZINC000676026849 1130518027 /nfs/dbraw/zinc/51/80/27/1130518027.db2.gz NTPKJCKUFGPFOC-AWEZNQCLSA-N -1 0 349.786 3.814 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cc1OC1CCCC1)c1ccccc1 ZINC000676232978 1130551969 /nfs/dbraw/zinc/55/19/69/1130551969.db2.gz CNIZVLMFHSMXAE-UHFFFAOYSA-N -1 0 335.400 3.948 20 0 EHADRM CCCCN(C)c1ccc([N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000731785383 1130846495 /nfs/dbraw/zinc/84/64/95/1130846495.db2.gz VMABTLMWVSGCOY-UHFFFAOYSA-N -1 0 336.432 3.863 20 0 EHADRM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1n[n-]c2ccccc2c1=O ZINC000731895187 1130858063 /nfs/dbraw/zinc/85/80/63/1130858063.db2.gz LRMMRGKBIGMDQD-DZGCQCFKSA-N -1 0 327.428 3.670 20 0 EHADRM CC[C@H](NC(=O)c1n[n-]c2ccccc2c1=O)c1cccc(Cl)c1 ZINC000732268307 1130907715 /nfs/dbraw/zinc/90/77/15/1130907715.db2.gz HFHMSLNFQNEBAE-AWEZNQCLSA-N -1 0 341.798 3.870 20 0 EHADRM CC(C)(C)CS(=O)(=O)[N-]C(=O)c1cccc(Oc2ccccc2)c1 ZINC000733059264 1130990370 /nfs/dbraw/zinc/99/03/70/1130990370.db2.gz LNBWDYAHRRLSOI-UHFFFAOYSA-N -1 0 347.436 3.585 20 0 EHADRM O=C(O[C@H]1C=CCCC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000733495588 1131047837 /nfs/dbraw/zinc/04/78/37/1131047837.db2.gz JITLGJVIJBLYIS-NSHDSACASA-N -1 0 348.196 3.556 20 0 EHADRM CCC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(C)s1 ZINC000733676360 1131066436 /nfs/dbraw/zinc/06/64/36/1131066436.db2.gz QNFOZLOGJUDVHY-CQSZACIVSA-N -1 0 343.514 3.858 20 0 EHADRM Cc1nonc1C(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000733873019 1131086880 /nfs/dbraw/zinc/08/68/80/1131086880.db2.gz CIIFQEFMNSRCAO-UHFFFAOYSA-N -1 0 340.408 3.633 20 0 EHADRM C[C@H]1CN(c2ccc(NC(=O)c3cc(Cl)ccc3[O-])cc2)CCO1 ZINC000736491093 1131423717 /nfs/dbraw/zinc/42/37/17/1131423717.db2.gz GRWOIASLYNGPHV-LBPRGKRZSA-N -1 0 346.814 3.523 20 0 EHADRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@@H](CC(C)C)c1ccccc1 ZINC000741118457 1131578568 /nfs/dbraw/zinc/57/85/68/1131578568.db2.gz IWYQNYLUJDWMDX-WBVHZDCISA-N -1 0 339.501 3.699 20 0 EHADRM O=C(N[C@@H](CC1CC1)c1ccccc1)c1n[n-]c2ccccc2c1=O ZINC000742112755 1131687993 /nfs/dbraw/zinc/68/79/93/1131687993.db2.gz IGXJXXFLAFLHKK-KRWDZBQOSA-N -1 0 333.391 3.607 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](c2ccccc2)C(C)C)c(C)c1 ZINC000744004369 1132006551 /nfs/dbraw/zinc/00/65/51/1132006551.db2.gz XEHNZLFCPZSIOG-SFHVURJKSA-N -1 0 345.464 3.548 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)C2CCCCCCC2)cc1 ZINC000744011714 1132007848 /nfs/dbraw/zinc/00/78/48/1132007848.db2.gz CKPVYIMKLXMNTF-UHFFFAOYSA-N -1 0 337.485 3.805 20 0 EHADRM Cc1nocc1[N-]c1cc([C@@H]2CCCN2C(=O)OC(C)(C)C)no1 ZINC001212720213 1132033992 /nfs/dbraw/zinc/03/39/92/1132033992.db2.gz DLNYHVVVTRSJOP-ZDUSSCGKSA-N -1 0 334.376 3.787 20 0 EHADRM COc1ccccc1Nc1ccc(S(=O)(=O)[O-])c2ccccc12 ZINC001173841370 1132164397 /nfs/dbraw/zinc/16/43/97/1132164397.db2.gz RNNRPKXOKADELI-UHFFFAOYSA-N -1 0 329.377 3.839 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])c1ccc(Nc2ccc(C(N)=O)cc2)cc1 ZINC001174051476 1132207583 /nfs/dbraw/zinc/20/75/83/1132207583.db2.gz RPKLCWJREHUKSY-MRXNPFEDSA-N -1 0 326.396 3.743 20 0 EHADRM COc1cc(F)ccc1Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1 ZINC001174131803 1132247736 /nfs/dbraw/zinc/24/77/36/1132247736.db2.gz ZBWOWEBJVOWUHC-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM O=S(=O)(c1cccc(Nc2ccc([S-])cc2)c1)N1CCCC1 ZINC001174315953 1132314951 /nfs/dbraw/zinc/31/49/51/1132314951.db2.gz IJXMJAUIURXWMW-UHFFFAOYSA-N -1 0 334.466 3.503 20 0 EHADRM O=S(=O)([O-])c1cccc(Nc2ccc(C(F)(F)F)cc2F)c1 ZINC001174399870 1132332356 /nfs/dbraw/zinc/33/23/56/1132332356.db2.gz AVSZMMDVAGKDMQ-UHFFFAOYSA-N -1 0 335.278 3.835 20 0 EHADRM Cc1ccc(Br)nc1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174494562 1132370843 /nfs/dbraw/zinc/37/08/43/1132370843.db2.gz BEJWWCLZGDZGSQ-SOFGYWHQSA-N -1 0 333.185 3.994 20 0 EHADRM COc1ccc(-c2ccccn2)nc1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174494849 1132371115 /nfs/dbraw/zinc/37/11/15/1132371115.db2.gz IPHGAYIHNUWQDJ-DHZHZOJOSA-N -1 0 347.374 3.994 20 0 EHADRM O=C([O-])C=Cc1cccc(Nc2cc(-c3ccccn3)c[nH]c2=O)c1 ZINC001174495907 1132371632 /nfs/dbraw/zinc/37/16/32/1132371632.db2.gz VRRQIQBIDQBHCQ-BQYQJAHWSA-N -1 0 333.347 3.691 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2cnc3c(C4CCC4)cnn3c2)c1 ZINC001174495609 1132372124 /nfs/dbraw/zinc/37/21/24/1132372124.db2.gz RBZUEBOVCZEKRX-BQYQJAHWSA-N -1 0 334.379 3.838 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2cnc(Br)s2)c1 ZINC001174495679 1132372218 /nfs/dbraw/zinc/37/22/18/1132372218.db2.gz UYANLMBGRKAHTN-SNAWJCMRSA-N -1 0 325.187 3.747 20 0 EHADRM Nc1ccc2nc(C(F)(F)F)n(-c3cccc(/C=C/C(=O)[O-])c3)c2c1 ZINC001174496990 1132372398 /nfs/dbraw/zinc/37/23/98/1132372398.db2.gz YREKSKRWQYIADT-QPJJXVBHSA-N -1 0 347.296 3.724 20 0 EHADRM COC(=O)c1cc(Nc2cccc(/C=C/C(=O)[O-])c2)ccc1Cl ZINC001174499946 1132380356 /nfs/dbraw/zinc/38/03/56/1132380356.db2.gz MJMZYDDITMJDGY-VMPITWQZSA-N -1 0 331.755 3.968 20 0 EHADRM CCCOc1ccc(CNC(=O)c2ccc3[n-]c(=S)oc3c2)cc1 ZINC000746131578 1132380561 /nfs/dbraw/zinc/38/05/61/1132380561.db2.gz MSXDFBYKWOEUQC-UHFFFAOYSA-N -1 0 342.420 3.835 20 0 EHADRM COc1cc(OC)c(OC)cc1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174500042 1132381899 /nfs/dbraw/zinc/38/18/99/1132381899.db2.gz OBQQDRVRIOYERS-BQYQJAHWSA-N -1 0 329.352 3.554 20 0 EHADRM Nc1ccc(Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)c(F)c1 ZINC001174482002 1132383287 /nfs/dbraw/zinc/38/32/87/1132383287.db2.gz LRFFCHKHBCOVSO-UHFFFAOYSA-N -1 0 332.356 3.551 20 0 EHADRM C[C@@H](CNC(=O)c1ccc2[n-]c(=S)oc2c1)Cc1cccs1 ZINC000746298759 1132401334 /nfs/dbraw/zinc/40/13/34/1132401334.db2.gz HEACCJGWMGQXIN-SNVBAGLBSA-N -1 0 332.450 3.787 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc2c(C)cc(=O)oc2c1 ZINC001174676927 1132434164 /nfs/dbraw/zinc/43/41/64/1132434164.db2.gz CPAVWTOFTFGHKS-UHFFFAOYSA-N -1 0 325.320 3.552 20 0 EHADRM COc1cc(Nc2cnc(C(F)(F)F)cc2C)ccc1C(=O)[O-] ZINC001174681725 1132434672 /nfs/dbraw/zinc/43/46/72/1132434672.db2.gz XRJVEABWKCYSNZ-UHFFFAOYSA-N -1 0 326.274 3.859 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)CC(C)(C)CC(=O)[O-] ZINC000190649320 1132455302 /nfs/dbraw/zinc/45/53/02/1132455302.db2.gz QEPUTQJYWOFVEF-LBPRGKRZSA-N -1 0 325.836 3.620 20 0 EHADRM C[C@@H]1CN(c2ccccc2F)CCN1C(=O)c1ccc([O-])c(Cl)c1 ZINC000191465887 1132462969 /nfs/dbraw/zinc/46/29/69/1132462969.db2.gz HWHBMWYVGDSPFN-GFCCVEGCSA-N -1 0 348.805 3.536 20 0 EHADRM COc1ccccc1-n1nc(C)cc1Nc1ccc(C(=O)[O-])s1 ZINC001174807084 1132478288 /nfs/dbraw/zinc/47/82/88/1132478288.db2.gz HPXJVWRVEWTIOE-UHFFFAOYSA-N -1 0 329.381 3.693 20 0 EHADRM COc1cc(Nc2ccc(C(=O)[O-])s2)ccc1Br ZINC001174809929 1132479989 /nfs/dbraw/zinc/47/99/89/1132479989.db2.gz VLAQCXSXEIRPBX-UHFFFAOYSA-N -1 0 328.187 3.961 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(C(=O)NC3CCCC3)cc2)s1 ZINC001174810455 1132480220 /nfs/dbraw/zinc/48/02/20/1132480220.db2.gz OEJYGKHUNBQVFU-UHFFFAOYSA-N -1 0 330.409 3.862 20 0 EHADRM COCc1ccc(Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)cc1 ZINC001174924716 1132507565 /nfs/dbraw/zinc/50/75/65/1132507565.db2.gz FNDBQRWYZOFKEM-UHFFFAOYSA-N -1 0 343.404 3.977 20 0 EHADRM Cc1cn(-c2ccc(Nc3ccc(CC(=O)[O-])cc3)cc2F)cn1 ZINC001174954993 1132517275 /nfs/dbraw/zinc/51/72/75/1132517275.db2.gz WXZVGJVBHPHXES-UHFFFAOYSA-N -1 0 325.343 3.691 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CC(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000746423917 1132520920 /nfs/dbraw/zinc/52/09/20/1132520920.db2.gz SYXBCAHHGGMFHN-GDBMZVCRSA-N -1 0 347.480 3.636 20 0 EHADRM Nc1ccc(OC(F)(F)F)cc1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175160345 1132571761 /nfs/dbraw/zinc/57/17/61/1132571761.db2.gz ICPZVBJFFZXVPT-UHFFFAOYSA-N -1 0 330.237 3.748 20 0 EHADRM O=C([O-])c1ccc(Nc2c(F)cccc2OC2CCOCC2)cc1F ZINC001175162313 1132585864 /nfs/dbraw/zinc/58/58/64/1132585864.db2.gz SCJWAKWGQPEDEF-UHFFFAOYSA-N -1 0 349.333 3.964 20 0 EHADRM Cc1cc(Br)ncc1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175215312 1132597157 /nfs/dbraw/zinc/59/71/57/1132597157.db2.gz DQXOQKDCTPGVJG-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM COc1ccc(-n2nc(C)cc2Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001175214969 1132597350 /nfs/dbraw/zinc/59/73/50/1132597350.db2.gz CTGWZGYOAYYWFC-UHFFFAOYSA-N -1 0 341.342 3.770 20 0 EHADRM Cc1nccn1Cc1ccc(Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001175218608 1132597767 /nfs/dbraw/zinc/59/77/67/1132597767.db2.gz IATHTEOGJKMJGT-UHFFFAOYSA-N -1 0 325.343 3.821 20 0 EHADRM CCOc1ccc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)c(F)c1 ZINC001175254624 1132617771 /nfs/dbraw/zinc/61/77/71/1132617771.db2.gz XNNMDIDFSUJDAE-UHFFFAOYSA-N -1 0 345.779 3.868 20 0 EHADRM CCOC(=O)c1ccc(N)c(Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001175319166 1132637122 /nfs/dbraw/zinc/63/71/22/1132637122.db2.gz OYCZRNWYHRSHHE-UHFFFAOYSA-N -1 0 334.759 3.541 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc3nnc(C4CC4)n3c2)cc1Cl ZINC001175317365 1132637252 /nfs/dbraw/zinc/63/72/52/1132637252.db2.gz XIKCRAVYMYFDOP-UHFFFAOYSA-N -1 0 328.759 3.702 20 0 EHADRM CC(C)NC(=O)c1cccc(Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001175318733 1132637364 /nfs/dbraw/zinc/63/73/64/1132637364.db2.gz FISKNGRNJHXMJD-UHFFFAOYSA-N -1 0 332.787 3.920 20 0 EHADRM Nc1c(F)c(F)c(Nc2ccc(C(=O)[O-])c(Cl)c2)c(F)c1F ZINC001175319964 1132637852 /nfs/dbraw/zinc/63/78/52/1132637852.db2.gz KRTVVDZEQDWNMY-UHFFFAOYSA-N -1 0 334.656 3.920 20 0 EHADRM CN1Cc2cc(Nc3ccc(C(=O)[O-])c(Cl)c3)ccc2NC1=O ZINC001175321097 1132638171 /nfs/dbraw/zinc/63/81/71/1132638171.db2.gz QMLHNXBPOMGVEL-UHFFFAOYSA-N -1 0 331.759 3.759 20 0 EHADRM COC(=O)/C=C/c1ccc(Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001175320062 1132638223 /nfs/dbraw/zinc/63/82/23/1132638223.db2.gz AOCBNUQEZMQBPU-RUDMXATFSA-N -1 0 331.755 3.968 20 0 EHADRM Nc1cc2c(ccn2-c2cccc(C(=O)[O-])c2)c(Br)c1 ZINC001175330919 1132640884 /nfs/dbraw/zinc/64/08/84/1132640884.db2.gz LOCDODYWUNFEKL-UHFFFAOYSA-N -1 0 331.169 3.673 20 0 EHADRM Cc1cc(S(=O)(=O)[O-])c(Nc2cnn(C3CCC3)c2)cc1Cl ZINC001175758496 1132759306 /nfs/dbraw/zinc/75/93/06/1132759306.db2.gz KRYVRVOFCPPPEH-UHFFFAOYSA-N -1 0 341.820 3.560 20 0 EHADRM Cc1ccc2nc(NCc3cc(=O)[n-]o3)nc(-c3ccccc3)c2c1 ZINC001169480978 1132764231 /nfs/dbraw/zinc/76/42/31/1132764231.db2.gz AXDYUJSEDXBPHI-UHFFFAOYSA-N -1 0 332.363 3.911 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2cnn(-c3ccccc3)c2)c(Cl)c1 ZINC001175795813 1132770090 /nfs/dbraw/zinc/77/00/90/1132770090.db2.gz VCKPYWZRTGXSHM-UHFFFAOYSA-N -1 0 349.799 3.516 20 0 EHADRM COC(=O)c1cc(Nc2cncc(C(=O)[O-])c2)c(Cl)cc1Cl ZINC001175842480 1132773386 /nfs/dbraw/zinc/77/33/86/1132773386.db2.gz JTJVCEBBIFCQLM-UHFFFAOYSA-N -1 0 341.150 3.617 20 0 EHADRM Nc1ccc(-c2cc3ccccc3n2-c2cncc(C(=O)[O-])c2)cc1 ZINC001175842808 1132773463 /nfs/dbraw/zinc/77/34/63/1132773463.db2.gz GLNXVSFIZHXZFA-UHFFFAOYSA-N -1 0 329.359 3.973 20 0 EHADRM Cc1cc(Br)c(Nc2cncc(C(=O)[O-])c2)cc1F ZINC001175843970 1132773794 /nfs/dbraw/zinc/77/37/94/1132773794.db2.gz XMFCWCGBKIMFIP-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM Cc1cccc(-c2nn(-c3cncc(C(=O)[O-])c3)c3ccc(N)cc32)c1 ZINC001175846744 1132774627 /nfs/dbraw/zinc/77/46/27/1132774627.db2.gz PCZGXHSGFBRJRD-UHFFFAOYSA-N -1 0 344.374 3.676 20 0 EHADRM CC(C)COc1ccc(C(C)(C)C(=O)[N-]OCC(F)(F)F)cc1 ZINC000766764138 1132806322 /nfs/dbraw/zinc/80/63/22/1132806322.db2.gz JGSKNFAECIPHNQ-UHFFFAOYSA-N -1 0 333.350 3.609 20 0 EHADRM O=C([O-])c1ccccc1NCc1ccc(Br)c(Cl)n1 ZINC001169819549 1132867857 /nfs/dbraw/zinc/86/78/57/1132867857.db2.gz LBRQUBMVMOBHLQ-UHFFFAOYSA-N -1 0 341.592 3.808 20 0 EHADRM Cc1cc(C)cc([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)c1 ZINC000766892832 1132911445 /nfs/dbraw/zinc/91/14/45/1132911445.db2.gz WJKNRCDIXASIDO-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM C[C@@H](CC(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000766939538 1132919728 /nfs/dbraw/zinc/91/97/28/1132919728.db2.gz PFHOPVLLRJVGSX-NSHDSACASA-N -1 0 343.345 3.555 20 0 EHADRM O=S(=O)([O-])c1cccc(Nc2ccc(Oc3ccccc3)nc2)c1 ZINC001176375169 1132925230 /nfs/dbraw/zinc/92/52/30/1132925230.db2.gz LHEYYRPLUPSRMP-UHFFFAOYSA-N -1 0 342.376 3.864 20 0 EHADRM O=C([O-])CN(C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)C1CCCCC1 ZINC000767026195 1132936022 /nfs/dbraw/zinc/93/60/22/1132936022.db2.gz WBKAVMJUTOHAMQ-CVEARBPZSA-N -1 0 335.831 3.689 20 0 EHADRM COc1ccccc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000767089126 1132947867 /nfs/dbraw/zinc/94/78/67/1132947867.db2.gz UQWLWZIYEWXOHA-BTDPBSJTSA-N -1 0 337.375 3.535 20 0 EHADRM COc1ccc(Nc2cc(C)c(Cl)cc2F)c(S(=O)(=O)[O-])c1 ZINC001176526515 1132957286 /nfs/dbraw/zinc/95/72/86/1132957286.db2.gz UQTPFLPIJLWBLA-UHFFFAOYSA-N -1 0 345.779 3.786 20 0 EHADRM CCc1cc(C(=O)OC)c(Nc2ccc(C3(C(=O)[O-])CC3)cc2)s1 ZINC001176582287 1132959884 /nfs/dbraw/zinc/95/98/84/1132959884.db2.gz VRKSDNBTBCJHPH-UHFFFAOYSA-N -1 0 345.420 3.957 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3cccnc3N3CCCCC3)cc2)CC1 ZINC001176581390 1132959962 /nfs/dbraw/zinc/95/99/62/1132959962.db2.gz MKRYNDNVLKMJCH-UHFFFAOYSA-N -1 0 337.423 3.932 20 0 EHADRM Nc1cc(C(F)(F)F)cnc1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176584985 1132960919 /nfs/dbraw/zinc/96/09/19/1132960919.db2.gz WUCOARWHKOYQAM-UHFFFAOYSA-N -1 0 337.301 3.542 20 0 EHADRM CN(C)C(=O)Oc1cccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1 ZINC001176587786 1132961671 /nfs/dbraw/zinc/96/16/71/1132961671.db2.gz BVSGKHBSKOAOGH-UHFFFAOYSA-N -1 0 340.379 3.607 20 0 EHADRM CCOC(=O)Cc1ccccc1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176587909 1132961678 /nfs/dbraw/zinc/96/16/78/1132961678.db2.gz DTWJVKLQYUSGPZ-UHFFFAOYSA-N -1 0 339.391 3.652 20 0 EHADRM COC(=O)c1cc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)ccc1Cl ZINC001176589004 1132962675 /nfs/dbraw/zinc/96/26/75/1132962675.db2.gz STWWMCXETXGWNP-UHFFFAOYSA-N -1 0 345.782 3.986 20 0 EHADRM COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000767185544 1132962712 /nfs/dbraw/zinc/96/27/12/1132962712.db2.gz CJGDJFKWFLHIRZ-LSDHHAIUSA-N -1 0 345.782 3.789 20 0 EHADRM CCOC(=O)c1ncc(Nc2ccc(/C=C/C(=O)[O-])cc2)cc1Cl ZINC001176594541 1132963471 /nfs/dbraw/zinc/96/34/71/1132963471.db2.gz USURUKMMZMEDAF-VMPITWQZSA-N -1 0 346.770 3.753 20 0 EHADRM COc1cc(Br)cnc1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176591561 1132963626 /nfs/dbraw/zinc/96/36/26/1132963626.db2.gz LNKJVVKNYXRUAM-QPJJXVBHSA-N -1 0 349.184 3.694 20 0 EHADRM COc1ccnc(Br)c1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176594413 1132963736 /nfs/dbraw/zinc/96/37/36/1132963736.db2.gz QBRLONYDKQQJJW-QPJJXVBHSA-N -1 0 349.184 3.694 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc3nc(-c4cccc(F)c4)nn3c2)cc1 ZINC001176710381 1132994979 /nfs/dbraw/zinc/99/49/79/1132994979.db2.gz ICOWOMBOTLJLED-UHFFFAOYSA-N -1 0 348.337 3.977 20 0 EHADRM CC[C@@H](NC(=O)NCc1ccc(Sc2ccccc2)cc1)C(=O)[O-] ZINC000780696623 1133083120 /nfs/dbraw/zinc/08/31/20/1133083120.db2.gz ZXIRXCZSRRRWPE-MRXNPFEDSA-N -1 0 344.436 3.500 20 0 EHADRM CC1(C)CO[C@H](CCNC(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC001177763498 1133100273 /nfs/dbraw/zinc/10/02/73/1133100273.db2.gz KMJAQKZSURTDIT-SNVBAGLBSA-N -1 0 332.227 3.634 20 0 EHADRM CCc1csc([N-]S(=O)(=O)/C=C\c2cccc(Cl)c2)n1 ZINC000768859206 1133187276 /nfs/dbraw/zinc/18/72/76/1133187276.db2.gz UDVZOANZKGWJCW-SREVYHEPSA-N -1 0 328.846 3.772 20 0 EHADRM CC(C)(C)OC(=O)N1C[C@H]2CC[C@@]2(C(=O)Nc2ccccc2[S-])C1 ZINC001179278950 1133242903 /nfs/dbraw/zinc/24/29/03/1133242903.db2.gz RKJSHLAGCKENCI-KZULUSFZSA-N -1 0 348.468 3.561 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)C(F)(F)c1ccc(F)cc1 ZINC000769248279 1133251488 /nfs/dbraw/zinc/25/14/88/1133251488.db2.gz VPKIQCFNADQXJR-UHFFFAOYSA-N -1 0 338.310 3.986 20 0 EHADRM CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]2C(=O)Nc2ccccc2[S-])C1 ZINC001179485162 1133253957 /nfs/dbraw/zinc/25/39/57/1133253957.db2.gz LICZMEJMYBZLMN-KPZWWZAWSA-N -1 0 348.468 3.561 20 0 EHADRM Cn1cc(/C=C\c2ncc(/C=C\C(=O)[O-])s2)c(-c2cccs2)n1 ZINC000769611317 1133321760 /nfs/dbraw/zinc/32/17/60/1133321760.db2.gz XQJBLYBOZSEUOO-PEPZGXQESA-N -1 0 343.433 3.873 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc3ccccc3c2)c(Cl)n1 ZINC000769650400 1133326037 /nfs/dbraw/zinc/32/60/37/1133326037.db2.gz IMAWLJCJNHQZFX-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM CN1CCCN(C(=O)c2c([O-])cccc2Cl)c2cc(F)ccc21 ZINC000769908890 1133357610 /nfs/dbraw/zinc/35/76/10/1133357610.db2.gz GHZDSUXUTUOSCS-UHFFFAOYSA-N -1 0 334.778 3.671 20 0 EHADRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cnn(C)c2C2CC2)c(C)c1C ZINC000769873343 1133361635 /nfs/dbraw/zinc/36/16/35/1133361635.db2.gz ZMBHRMDURFTZAL-UHFFFAOYSA-N -1 0 347.484 3.640 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)(C)C)cc2)c(O)c1 ZINC000770631715 1133450743 /nfs/dbraw/zinc/45/07/43/1133450743.db2.gz CCCYEISKNGYEOW-UHFFFAOYSA-N -1 0 347.436 3.730 20 0 EHADRM C[C@@H](CC(C)(C)C)C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000773922584 1133487785 /nfs/dbraw/zinc/48/77/85/1133487785.db2.gz QNZOXMMYSOOMGW-ZDUSSCGKSA-N -1 0 333.453 3.717 20 0 EHADRM CCCC(=CC(=O)[N-]S(=O)(=O)c1cccc2ncccc21)CCC ZINC000771291277 1133530889 /nfs/dbraw/zinc/53/08/89/1133530889.db2.gz XCLYGVZIMQLJLU-UHFFFAOYSA-N -1 0 346.452 3.566 20 0 EHADRM Nc1c(F)cc(Cl)cc1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000774068479 1133601710 /nfs/dbraw/zinc/60/17/10/1133601710.db2.gz SIGQANSLDOOQNQ-UHFFFAOYSA-N -1 0 337.763 3.744 20 0 EHADRM Cc1cccc(C)c1OCCNC(=O)c1cc(F)cc(Cl)c1[O-] ZINC001182366764 1133645604 /nfs/dbraw/zinc/64/56/04/1133645604.db2.gz GVAFIYDZIGVENP-UHFFFAOYSA-N -1 0 337.778 3.610 20 0 EHADRM CC(C)[C@@H](NC(=O)c1c([O-])cc(Cl)cc1Cl)[C@@H](CO)C(C)C ZINC001183495063 1133816582 /nfs/dbraw/zinc/81/65/82/1133816582.db2.gz KKKNMELWFOVTRE-XHDPSFHLSA-N -1 0 348.270 3.718 20 0 EHADRM CCCC(C)(C)CC(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000786453876 1133855883 /nfs/dbraw/zinc/85/58/83/1133855883.db2.gz POOPCJJNHVHOTR-UHFFFAOYSA-N -1 0 331.865 3.502 20 0 EHADRM CCOCCO[N-]C(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl ZINC000772693037 1133932970 /nfs/dbraw/zinc/93/29/70/1133932970.db2.gz UQXVNNLITZIFTA-SECBINFHSA-N -1 0 338.256 3.558 20 0 EHADRM C[C@H]1C[C@@H]1c1ncc(C(=O)Nc2c(Cl)ccc([O-])c2Cl)cn1 ZINC001185141567 1134034610 /nfs/dbraw/zinc/03/46/10/1134034610.db2.gz MOBPCGIVZJWJAW-CBAPKCEASA-N -1 0 338.194 3.865 20 0 EHADRM O=S(=O)([N-]c1ncc(Cl)cc1C(F)(F)F)c1ccsc1 ZINC001185351562 1134070426 /nfs/dbraw/zinc/07/04/26/1134070426.db2.gz BJYGCSNSNBNKMM-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM O=S(=O)([N-]c1ccccc1Oc1cccnc1)c1ccsc1 ZINC001185382904 1134076468 /nfs/dbraw/zinc/07/64/68/1134076468.db2.gz PEPWMDGNIHOPEV-UHFFFAOYSA-N -1 0 332.406 3.736 20 0 EHADRM CC(C)(C)OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccsc1 ZINC001185392939 1134078249 /nfs/dbraw/zinc/07/82/49/1134078249.db2.gz ZCSHNXCFENYLIF-UHFFFAOYSA-N -1 0 339.438 3.504 20 0 EHADRM Cc1nc2ccccn2c1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185425634 1134082353 /nfs/dbraw/zinc/08/23/53/1134082353.db2.gz VGDKGBKOAAQOEV-UHFFFAOYSA-N -1 0 343.433 3.658 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)COC2)c1cc2ccccc2s1 ZINC001185421954 1134083017 /nfs/dbraw/zinc/08/30/17/1134083017.db2.gz YKTZJYTXKPMQJS-UHFFFAOYSA-N -1 0 331.418 3.732 20 0 EHADRM CC(C)[C@H](NC(=O)C=C([O-])c1ccccc1Cl)c1cccnc1 ZINC001185444567 1134088129 /nfs/dbraw/zinc/08/81/29/1134088129.db2.gz ZCFRHZVOQXFEGK-SFHVURJKSA-N -1 0 330.815 3.821 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)[C@@H](O)CC2)c1cc2ccccc2s1 ZINC001185463750 1134092922 /nfs/dbraw/zinc/09/29/22/1134092922.db2.gz CMSREZWXNRRTQS-HNNXBMFYSA-N -1 0 345.445 3.682 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nc3ccc(F)cc3o2)ccc1Cl ZINC001185485283 1134096804 /nfs/dbraw/zinc/09/68/04/1134096804.db2.gz RDWMXBKIHZUFFI-UHFFFAOYSA-N -1 0 340.763 3.730 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2)ccc1Cl ZINC001185496614 1134098689 /nfs/dbraw/zinc/09/86/89/1134098689.db2.gz KXCXKMOSXWLHLG-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)ccc1Cl ZINC001185520642 1134102087 /nfs/dbraw/zinc/10/20/87/1134102087.db2.gz IIQQJMRNSXWCGZ-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1 ZINC001185530339 1134104624 /nfs/dbraw/zinc/10/46/24/1134104624.db2.gz ZQHCNUXTVAOQBY-UHFFFAOYSA-N -1 0 341.791 3.791 20 0 EHADRM O=S(=O)([N-]c1cccc(-c2ccccc2)n1)c1ccc(Cl)nc1 ZINC001185652401 1134117725 /nfs/dbraw/zinc/11/77/25/1134117725.db2.gz HVJMFPFRYNBUFD-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM O=S(=O)([N-]c1ccc(F)c2ccccc12)c1ccc(Cl)nc1 ZINC001185686906 1134119857 /nfs/dbraw/zinc/11/98/57/1134119857.db2.gz HMTXWCZWKLTBMV-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM CCCCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001185909291 1134148351 /nfs/dbraw/zinc/14/83/51/1134148351.db2.gz POGSDTKGFWBRJS-UHFFFAOYSA-N -1 0 347.436 3.837 20 0 EHADRM O=S(=O)([N-]c1csc2ccccc12)c1ccc2n[nH]cc2c1 ZINC001185953999 1134150565 /nfs/dbraw/zinc/15/05/65/1134150565.db2.gz DUIOTZWZRKMNTA-UHFFFAOYSA-N -1 0 329.406 3.578 20 0 EHADRM COC(=O)c1sc2c(c1NC(=O)c1cccc([S-])c1)CCCC2 ZINC001186130146 1134172206 /nfs/dbraw/zinc/17/22/06/1134172206.db2.gz DVRQPJZCFBBMDJ-UHFFFAOYSA-N -1 0 347.461 3.955 20 0 EHADRM CCc1ccc(C)nc1[N-]S(=O)(=O)c1csc2ccccc21 ZINC001186441671 1134213442 /nfs/dbraw/zinc/21/34/42/1134213442.db2.gz NLHXODDPNMEZPW-UHFFFAOYSA-N -1 0 332.450 3.968 20 0 EHADRM O=S(=O)([N-]c1cccc2nnsc21)c1csc2ccccc21 ZINC001186497644 1134222899 /nfs/dbraw/zinc/22/28/99/1134222899.db2.gz BJAFSVQKYZTESO-UHFFFAOYSA-N -1 0 347.446 3.707 20 0 EHADRM O=S(=O)([N-]c1ncco1)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC001186608228 1134236051 /nfs/dbraw/zinc/23/60/51/1134236051.db2.gz XDVFGOUGZNJKKD-UHFFFAOYSA-N -1 0 334.784 3.796 20 0 EHADRM Cc1ccc2[nH]cc(CN(C)C(=O)c3cc(F)c(F)c([O-])c3F)c2c1 ZINC001186779390 1134256806 /nfs/dbraw/zinc/25/68/06/1134256806.db2.gz MFWHXJCUNQKVJT-UHFFFAOYSA-N -1 0 348.324 3.871 20 0 EHADRM CC(C)[C@@H](c1ccccc1)N(C)S(=O)(=O)c1cc([O-])cc(F)c1 ZINC001186827361 1134263302 /nfs/dbraw/zinc/26/33/02/1134263302.db2.gz CMMFGCXCQFWZTA-KRWDZBQOSA-N -1 0 337.416 3.549 20 0 EHADRM CCC(CC)Oc1ccc(F)cc1[N-]S(=O)(=O)c1ccco1 ZINC001186863893 1134270111 /nfs/dbraw/zinc/27/01/11/1134270111.db2.gz ZUKPDXIJYOZYQO-UHFFFAOYSA-N -1 0 327.377 3.787 20 0 EHADRM Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187181336 1134306584 /nfs/dbraw/zinc/30/65/84/1134306584.db2.gz UNZYLVXZFCPYIB-UHFFFAOYSA-N -1 0 342.873 3.785 20 0 EHADRM CC(C)c1ccc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)cn1 ZINC001187181102 1134306809 /nfs/dbraw/zinc/30/68/09/1134306809.db2.gz LKKVVXNFBBLXMC-UHFFFAOYSA-N -1 0 336.482 3.946 20 0 EHADRM O=S(=O)([N-]c1ncccc1C1CC1)c1cc2c(s1)CCCC2 ZINC001187189196 1134307553 /nfs/dbraw/zinc/30/75/53/1134307553.db2.gz UFBUPBNSXKITNC-UHFFFAOYSA-N -1 0 334.466 3.700 20 0 EHADRM O=S(=O)([N-]c1nc(C2CC2)cs1)c1cc2c(s1)CCCC2 ZINC001187173567 1134310638 /nfs/dbraw/zinc/31/06/38/1134310638.db2.gz FPGIAFLCYCIDGK-UHFFFAOYSA-N -1 0 340.495 3.762 20 0 EHADRM CCOCCS(=O)(=O)[N-]c1ccccc1Oc1ccc(C)cc1 ZINC001187279823 1134319004 /nfs/dbraw/zinc/31/90/04/1134319004.db2.gz OEZUIXBXXYLHTF-UHFFFAOYSA-N -1 0 335.425 3.566 20 0 EHADRM Cc1oncc1S(=O)(=O)[N-]c1cccc(Oc2ccc(C)cc2)c1 ZINC001187379025 1134329037 /nfs/dbraw/zinc/32/90/37/1134329037.db2.gz CCCGHNYPJLHLIR-UHFFFAOYSA-N -1 0 344.392 3.885 20 0 EHADRM Cc1oncc1S(=O)(=O)[N-]c1cc(C)ccc1-c1ccccc1 ZINC001187382460 1134329273 /nfs/dbraw/zinc/32/92/73/1134329273.db2.gz DWJTZLGUPFBOTG-UHFFFAOYSA-N -1 0 328.393 3.759 20 0 EHADRM CCc1ncsc1[N-]S(=O)(=O)CCc1cccc2ccccc21 ZINC001187624980 1134358824 /nfs/dbraw/zinc/35/88/24/1134358824.db2.gz STQAZURUXJVOEI-UHFFFAOYSA-N -1 0 346.477 3.843 20 0 EHADRM C=Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC001187961295 1134406064 /nfs/dbraw/zinc/40/60/64/1134406064.db2.gz VQFWWXKNKYDGCY-UHFFFAOYSA-N -1 0 329.208 3.832 20 0 EHADRM CC(C)CC[C@H]1CCCCN1S(=O)(=O)c1cc([O-])cc(F)c1 ZINC001188184476 1134437813 /nfs/dbraw/zinc/43/78/13/1134437813.db2.gz NJNNXQXAWMARJB-CQSZACIVSA-N -1 0 329.437 3.511 20 0 EHADRM Cc1c(Br)cc(NC(=O)N(C)CC(C)C)cc1C(=O)[O-] ZINC000790587539 1134439497 /nfs/dbraw/zinc/43/94/97/1134439497.db2.gz WLOYKKWFIPWQTL-UHFFFAOYSA-N -1 0 343.221 3.575 20 0 EHADRM O=C(OCc1ncc(-c2ccccc2)o1)c1c(F)cc([O-])cc1F ZINC000746988052 1134518237 /nfs/dbraw/zinc/51/82/37/1134518237.db2.gz VRAADWCMYVEOMY-UHFFFAOYSA-N -1 0 331.274 3.682 20 0 EHADRM O=C(NOC1CCOCC1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000775240844 1134569354 /nfs/dbraw/zinc/56/93/54/1134569354.db2.gz KYRPRYPOYSIAFL-UHFFFAOYSA-N -1 0 347.798 3.553 20 0 EHADRM CC[C@@H](C)n1ncc(NC(=O)c2ccc3[n-]c(=S)oc3c2)c1C ZINC000791578898 1134570560 /nfs/dbraw/zinc/57/05/60/1134570560.db2.gz YIPWBZCWJIPEPK-SECBINFHSA-N -1 0 330.413 3.845 20 0 EHADRM COc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(F)c2ccccc21 ZINC001189386485 1134578295 /nfs/dbraw/zinc/57/82/95/1134578295.db2.gz XYSSGHLZZPMLRZ-UHFFFAOYSA-N -1 0 349.358 3.927 20 0 EHADRM COc1cc(Cl)ccc1[N-]S(=O)(=O)Cc1cccc(F)c1F ZINC001189453595 1134589188 /nfs/dbraw/zinc/58/91/88/1134589188.db2.gz UDGKELCISSUOTM-UHFFFAOYSA-N -1 0 347.770 3.569 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)CCCC2CCCC2)sc1C ZINC000775289014 1134618212 /nfs/dbraw/zinc/61/82/12/1134618212.db2.gz SXRHVUSLTFUEIH-UHFFFAOYSA-N -1 0 329.487 3.530 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000775287735 1134618363 /nfs/dbraw/zinc/61/83/63/1134618363.db2.gz FILGFOXRNPJSLN-CQSZACIVSA-N -1 0 343.514 3.776 20 0 EHADRM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)CC12CCC(CC1)CC2)C(F)(F)F ZINC001189740204 1134618935 /nfs/dbraw/zinc/61/89/35/1134618935.db2.gz HLJOXLHTNYPZHX-NELGMTEASA-N -1 0 341.439 3.853 20 0 EHADRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000775297134 1134619994 /nfs/dbraw/zinc/61/99/94/1134619994.db2.gz MQRLHRNSDZCZCR-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM Cc1ccc(F)cc1-c1nnc(NC([O-])=NOC2CCCC2)s1 ZINC000791902731 1134624222 /nfs/dbraw/zinc/62/42/22/1134624222.db2.gz ACMYJFPFAPKAEW-UHFFFAOYSA-N -1 0 336.392 3.648 20 0 EHADRM CCc1cc(C(=O)[N-]c2c(C(=O)OC)oc3cccc(Cl)c32)no1 ZINC001189996412 1134647297 /nfs/dbraw/zinc/64/72/97/1134647297.db2.gz RIHUHDCKLIECPR-UHFFFAOYSA-N -1 0 348.742 3.676 20 0 EHADRM CCOc1ccc2c(c1)[C@@H](NC(=O)c1cccc(Cl)c1[O-])CCO2 ZINC000775339563 1134648349 /nfs/dbraw/zinc/64/83/49/1134648349.db2.gz CIUBLYZPHVFRFI-HNNXBMFYSA-N -1 0 347.798 3.698 20 0 EHADRM CCC[C@@H](NS(=O)(=O)c1cc(F)cc(F)c1F)c1ccccc1 ZINC001190401570 1134691535 /nfs/dbraw/zinc/69/15/35/1134691535.db2.gz KWAPACFYROJTPB-CQSZACIVSA-N -1 0 343.370 3.924 20 0 EHADRM Cn1ccc2ccc(NS(=O)(=O)c3ccc(C4CC4)cc3)cc21 ZINC001190506107 1134707776 /nfs/dbraw/zinc/70/77/76/1134707776.db2.gz HHMWZKLYOGVFCW-UHFFFAOYSA-N -1 0 326.421 3.857 20 0 EHADRM CCOc1ccc(C(=O)Nc2ccc3[n-]c(=S)sc3c2)nc1 ZINC001190789735 1134751512 /nfs/dbraw/zinc/75/15/12/1134751512.db2.gz GUQWZROXZYPINX-UHFFFAOYSA-N -1 0 331.422 3.631 20 0 EHADRM C[C@]1(CNC(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])C[C@H]2C[C@H]2C1 ZINC001170357342 1134755201 /nfs/dbraw/zinc/75/52/01/1134755201.db2.gz NSJCCGLIQRVXCS-IKDJWVMYSA-N -1 0 339.391 3.631 20 0 EHADRM Cc1ccc(F)cc1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000077899117 1134792000 /nfs/dbraw/zinc/79/20/00/1134792000.db2.gz ZJHZPSHLOHYQLH-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(F)c(F)cc2C)c1 ZINC001191186401 1134822916 /nfs/dbraw/zinc/82/29/16/1134822916.db2.gz VBUCIPBTHXICBN-UHFFFAOYSA-N -1 0 348.374 3.931 20 0 EHADRM CC(C)c1ccoc1C(=O)[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000793277373 1134893608 /nfs/dbraw/zinc/89/36/08/1134893608.db2.gz DHLFYIQSCLMBOS-UHFFFAOYSA-N -1 0 343.404 3.675 20 0 EHADRM CCCc1ccnc([N-]S(=O)(=O)c2cc(C(C)C)ccc2OC)c1 ZINC001191670595 1134897531 /nfs/dbraw/zinc/89/75/31/1134897531.db2.gz IREKTYRASRDXLZ-UHFFFAOYSA-N -1 0 348.468 3.967 20 0 EHADRM CCCc1cc([N-]S(=O)(=O)c2cc(C(C)C)ccc2OC)on1 ZINC001191655482 1134900818 /nfs/dbraw/zinc/90/08/18/1134900818.db2.gz NDWZQSPVWKGYML-UHFFFAOYSA-N -1 0 338.429 3.560 20 0 EHADRM Cc1ncc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2Cl)nc1C ZINC001191728811 1134905575 /nfs/dbraw/zinc/90/55/75/1134905575.db2.gz MZJUBMMWFSLWLY-UHFFFAOYSA-N -1 0 346.239 3.509 20 0 EHADRM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2ncccc2F)c1Cl ZINC001191729217 1134907012 /nfs/dbraw/zinc/90/70/12/1134907012.db2.gz YSQBCCXEAOSUEQ-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM Cc1c(Cl)cc(NC(=O)c2ccc(CCO)cc2)c([O-])c1Cl ZINC001191774075 1134912658 /nfs/dbraw/zinc/91/26/58/1134912658.db2.gz GIFUOFRPRXJCPT-UHFFFAOYSA-N -1 0 340.206 3.795 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2oc(C)nc2c1 ZINC001191820972 1134929171 /nfs/dbraw/zinc/92/91/71/1134929171.db2.gz ASUQZSMGPHCNJJ-UHFFFAOYSA-N -1 0 346.408 3.644 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccccc1SC ZINC001191821236 1134929836 /nfs/dbraw/zinc/92/98/36/1134929836.db2.gz NLHFHNCFKDBIBQ-UHFFFAOYSA-N -1 0 337.466 3.916 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cccc2c1CCCO2 ZINC001191834327 1134933614 /nfs/dbraw/zinc/93/36/14/1134933614.db2.gz MCUVUDWLKBCVJN-UHFFFAOYSA-N -1 0 347.436 3.520 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H](C)CC(C)C)cc1Cl ZINC000747131680 1134955929 /nfs/dbraw/zinc/95/59/29/1134955929.db2.gz ZGQLILADZSPGBH-NSHDSACASA-N -1 0 331.865 3.526 20 0 EHADRM CC[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(C)c(Cl)c1)C(C)C ZINC000747130510 1134958277 /nfs/dbraw/zinc/95/82/77/1134958277.db2.gz MULDVPLNOVANGH-GFCCVEGCSA-N -1 0 331.865 3.526 20 0 EHADRM Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3ccnc(C)n3)cc2)cc1 ZINC001192063102 1134963534 /nfs/dbraw/zinc/96/35/34/1134963534.db2.gz FYIYPESMODKZCT-UHFFFAOYSA-N -1 0 339.420 3.561 20 0 EHADRM Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3cnc(C)nc3)cc2)cc1 ZINC001192064522 1134963767 /nfs/dbraw/zinc/96/37/67/1134963767.db2.gz VCKJMDZUBIIPFJ-UHFFFAOYSA-N -1 0 339.420 3.561 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)C(F)(F)Cc1ccccc1 ZINC000793665395 1134978298 /nfs/dbraw/zinc/97/82/98/1134978298.db2.gz KGSPURCSRGGDDS-UHFFFAOYSA-N -1 0 334.347 3.933 20 0 EHADRM Cc1ccc2cc([N-]S(=O)(=O)c3cnc(Cl)c(C)c3)ccc2n1 ZINC001192568572 1135030312 /nfs/dbraw/zinc/03/03/12/1135030312.db2.gz ZJAXDDDGFPQFNQ-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(F)F)cnc1Cl ZINC001192568312 1135030805 /nfs/dbraw/zinc/03/08/05/1135030805.db2.gz GEIOBIDJEXXUBQ-UHFFFAOYSA-N -1 0 332.759 3.782 20 0 EHADRM Cc1cc(=O)oc(C)c1C(=O)Nc1cc(Cl)c(C)c(Cl)c1[O-] ZINC001192528192 1135031459 /nfs/dbraw/zinc/03/14/59/1135031459.db2.gz NYDBKIDJGDULER-UHFFFAOYSA-N -1 0 342.178 3.830 20 0 EHADRM O=C(Nc1cnnc2ccc(Cl)cc21)c1c(F)ccc(F)c1[O-] ZINC001192692760 1135045151 /nfs/dbraw/zinc/04/51/51/1135045151.db2.gz AAWHTUJMTMKPRM-UHFFFAOYSA-N -1 0 335.697 3.519 20 0 EHADRM O=S(=O)([N-][C@@H](C(F)F)C1CCCCC1)c1ccc(Cl)s1 ZINC001192742011 1135048991 /nfs/dbraw/zinc/04/89/91/1135048991.db2.gz ROPFVFPAHFTCAS-LLVKDONJSA-N -1 0 343.848 3.894 20 0 EHADRM O=C(Nc1ccc(Cc2ccncc2)cc1)c1c([O-])ccc(F)c1F ZINC001192765496 1135052013 /nfs/dbraw/zinc/05/20/13/1135052013.db2.gz ZIBVYJMVYKOBJE-UHFFFAOYSA-N -1 0 340.329 3.909 20 0 EHADRM Cc1cc(C(=O)Nc2c(Cl)ccc([O-])c2Cl)nc(Cl)n1 ZINC001192815483 1135058125 /nfs/dbraw/zinc/05/81/25/1135058125.db2.gz DDRZKIGSFTYWBQ-UHFFFAOYSA-N -1 0 332.574 3.703 20 0 EHADRM C[C@@H](NC(=O)c1ccc(F)c(F)c1[O-])c1cccc(Cl)c1F ZINC001192810833 1135058428 /nfs/dbraw/zinc/05/84/28/1135058428.db2.gz NNXMUSOGOQUONJ-SSDOTTSWSA-N -1 0 329.705 3.954 20 0 EHADRM Cc1cc(NC(=O)c2ccc([O-])c(F)c2F)n(-c2ccccc2F)n1 ZINC001192827039 1135060433 /nfs/dbraw/zinc/06/04/33/1135060433.db2.gz JEBMJVXFQLHPEQ-UHFFFAOYSA-N -1 0 347.296 3.556 20 0 EHADRM Cc1cc(OC(F)F)ccc1NC(=O)c1cc(F)c([O-])cc1F ZINC001192872290 1135062370 /nfs/dbraw/zinc/06/23/70/1135062370.db2.gz KXPBNANTHLZJDI-UHFFFAOYSA-N -1 0 329.249 3.833 20 0 EHADRM N=C(NC(=O)c1cc(F)c([O-])cc1F)C12CC3CC(CC(C3)C1)C2 ZINC001192880191 1135073840 /nfs/dbraw/zinc/07/38/40/1135073840.db2.gz ZQNHWKGRGLOQKV-UHFFFAOYSA-N -1 0 334.366 3.594 20 0 EHADRM CCCC[C@H](C)NC(=O)Nc1ccc(F)c(Br)c1[O-] ZINC001193065041 1135092950 /nfs/dbraw/zinc/09/29/50/1135092950.db2.gz ONLHRTPMZUEKLL-QMMMGPOBSA-N -1 0 333.201 3.994 20 0 EHADRM O=C(Nc1cccc2ccc(-c3ccccc3)nc21)c1cc(=O)[nH][n-]1 ZINC001193473614 1135140864 /nfs/dbraw/zinc/14/08/64/1135140864.db2.gz PRBNUEDHPUVPKG-UHFFFAOYSA-N -1 0 330.347 3.583 20 0 EHADRM CCOCCN(C(=O)c1cccc(F)c1[O-])c1ccc(Cl)cc1 ZINC001129713411 1135143024 /nfs/dbraw/zinc/14/30/24/1135143024.db2.gz VNWKUDZHWVPUPH-UHFFFAOYSA-N -1 0 337.778 3.868 20 0 EHADRM O=S(=O)(CC1CCC1)[N-][C@H](c1cccc(Cl)c1)C(F)(F)F ZINC001193533189 1135144837 /nfs/dbraw/zinc/14/48/37/1135144837.db2.gz REUMKTFIKSRROE-GFCCVEGCSA-N -1 0 341.782 3.663 20 0 EHADRM CSCc1ccc(CNC(=O)c2ccc3[n-]c(=S)oc3c2)cc1 ZINC000804701583 1135174429 /nfs/dbraw/zinc/17/44/29/1135174429.db2.gz HWHUGSCWYXHVMR-UHFFFAOYSA-N -1 0 344.461 3.910 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2cccnc2Cl)c2ccccc12 ZINC001193825436 1135189087 /nfs/dbraw/zinc/18/90/87/1135189087.db2.gz WWVWAJJCXLYHGT-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cccs3)cc2)nc1 ZINC001194131268 1135229991 /nfs/dbraw/zinc/22/99/91/1135229991.db2.gz ROUDFSGTKQQOOQ-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM O=S(=O)(Cc1noc2ccccc21)[N-]c1cc(Cl)ccc1F ZINC001194093043 1135231458 /nfs/dbraw/zinc/23/14/58/1135231458.db2.gz QMWXDXVSBFQEHR-UHFFFAOYSA-N -1 0 340.763 3.562 20 0 EHADRM O=S(=O)(Cc1noc2ccccc21)[N-]c1cccc2sccc21 ZINC001194099345 1135232670 /nfs/dbraw/zinc/23/26/70/1135232670.db2.gz LSEBNUSINRDNCF-UHFFFAOYSA-N -1 0 344.417 3.984 20 0 EHADRM COc1cccnc1[N-]S(=O)(=O)c1ccc(-c2cccs2)cc1 ZINC001194142771 1135239149 /nfs/dbraw/zinc/23/91/49/1135239149.db2.gz YBXTVCLHBIZOMK-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM Cc1noc(C)c1[N-]S(=O)(=O)c1ccc(-c2cccs2)cc1 ZINC001194141399 1135239641 /nfs/dbraw/zinc/23/96/41/1135239641.db2.gz FVMAFIGIXOMAIA-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM Cc1noc([N-]S(=O)(=O)c2ccc3c(Cl)cccc3c2)c1C ZINC001194215613 1135244967 /nfs/dbraw/zinc/24/49/67/1135244967.db2.gz KICXMSNNQOODQU-UHFFFAOYSA-N -1 0 336.800 3.899 20 0 EHADRM O=C(Nc1ccc(F)c(Br)c1[O-])Oc1ccccc1 ZINC001194253674 1135251085 /nfs/dbraw/zinc/25/10/85/1135251085.db2.gz DASNNPBELDPRBX-UHFFFAOYSA-N -1 0 326.121 3.905 20 0 EHADRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)N(C)CCCc1ccccc1 ZINC001194269768 1135253478 /nfs/dbraw/zinc/25/34/78/1135253478.db2.gz JNWQEVAFRMMXOB-UHFFFAOYSA-N -1 0 349.434 3.591 20 0 EHADRM Cc1ccn(-c2ccc(C(=O)Nc3cc(Cl)c([O-])cc3F)cc2)n1 ZINC000805255572 1135253549 /nfs/dbraw/zinc/25/35/49/1135253549.db2.gz SJYPWAFZGQHMFE-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM Cc1cnc([N-]S(=O)(=O)c2cccc3c(Cl)cccc32)c(C)n1 ZINC001194411734 1135266820 /nfs/dbraw/zinc/26/68/20/1135266820.db2.gz ZUSWNMKHQDDARB-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1cnc(Cl)c(Cl)c1 ZINC001194604167 1135291591 /nfs/dbraw/zinc/29/15/91/1135291591.db2.gz AAPWJYBTMNKLLX-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM O=C(Nc1ccccc1[S-])c1cn(Cc2ccccc2F)cn1 ZINC001194629372 1135293567 /nfs/dbraw/zinc/29/35/67/1135293567.db2.gz PORONWKRYZZZEX-UHFFFAOYSA-N -1 0 327.384 3.612 20 0 EHADRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1c(C)cccc1C ZINC001194639996 1135295295 /nfs/dbraw/zinc/29/52/95/1135295295.db2.gz YJBLYWCXHSZOJT-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM CCC(CC)COC(=O)Nc1cc(Cl)c(C)cc1S(=O)(=O)[O-] ZINC001194708836 1135310494 /nfs/dbraw/zinc/31/04/94/1135310494.db2.gz LCOBSLGLEZGHRY-UHFFFAOYSA-N -1 0 349.836 3.880 20 0 EHADRM CC(C)(C)n1cc(C(=O)Nc2c(Cl)ccc([O-])c2Cl)cn1 ZINC001194802129 1135322607 /nfs/dbraw/zinc/32/26/07/1135322607.db2.gz ZKQHNSVVWNBIPM-UHFFFAOYSA-N -1 0 328.199 3.903 20 0 EHADRM CC[C@@H](C)COC(=O)Nc1ccc2ccccc2c1S(=O)(=O)[O-] ZINC001194807215 1135323707 /nfs/dbraw/zinc/32/37/07/1135323707.db2.gz PXQZCIPAUFYDHO-LLVKDONJSA-N -1 0 337.397 3.681 20 0 EHADRM CC(C)c1ccccc1[N-]S(=O)(=O)c1cccc2nccnc21 ZINC001194932975 1135348615 /nfs/dbraw/zinc/34/86/15/1135348615.db2.gz NMGQDQODDBPIGN-UHFFFAOYSA-N -1 0 327.409 3.554 20 0 EHADRM Cc1cc2ccccc2cc1[N-]S(=O)(=O)c1cccc2nccnc21 ZINC001194985310 1135350698 /nfs/dbraw/zinc/35/06/98/1135350698.db2.gz AHZQOKZZKJWFAD-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc3nsnc32)c1 ZINC001195107298 1135378339 /nfs/dbraw/zinc/37/83/39/1135378339.db2.gz GTTBVUYFWPUKLA-UHFFFAOYSA-N -1 0 333.438 3.616 20 0 EHADRM Cc1cnc(Cl)c(NC(=O)c2c([O-])c(F)c(F)c(F)c2F)c1 ZINC001195278199 1135404303 /nfs/dbraw/zinc/40/43/03/1135404303.db2.gz JCCZLPUWTBJBJQ-UHFFFAOYSA-N -1 0 334.656 3.558 20 0 EHADRM O=C(Nc1ccccc1C(=O)N1CCCC1)c1cccc(Cl)c1[O-] ZINC000775649422 1135409196 /nfs/dbraw/zinc/40/91/96/1135409196.db2.gz KHYWOCGDPIMCNE-UHFFFAOYSA-N -1 0 344.798 3.534 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cccc(-n2cccn2)c1 ZINC001195307934 1135410933 /nfs/dbraw/zinc/41/09/33/1135410933.db2.gz CKXGEBIHFMDPES-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM COCc1ccc([N-]S(=O)(=O)c2c(C)cccc2Cl)cc1 ZINC001195309695 1135412074 /nfs/dbraw/zinc/41/20/74/1135412074.db2.gz MYYAMSFWIPYGOO-UHFFFAOYSA-N -1 0 325.817 3.596 20 0 EHADRM CN(CCCOc1ccc(F)cc1)C(=O)c1cccc(Cl)c1[O-] ZINC000775657761 1135429594 /nfs/dbraw/zinc/42/95/94/1135429594.db2.gz HLQXPUXSQJLNBZ-UHFFFAOYSA-N -1 0 337.778 3.726 20 0 EHADRM CCOCCOCc1cccc(NC(=O)c2cccc(Cl)c2[O-])c1 ZINC000775662242 1135437760 /nfs/dbraw/zinc/43/77/60/1135437760.db2.gz CBTNKFXIWWUDCW-UHFFFAOYSA-N -1 0 349.814 3.851 20 0 EHADRM COCCOc1cc(C)ccc1NC(=O)c1cccc(Cl)c1[O-] ZINC000775665321 1135439267 /nfs/dbraw/zinc/43/92/67/1135439267.db2.gz LYRYNFKRJNUIIN-UHFFFAOYSA-N -1 0 335.787 3.632 20 0 EHADRM COC(=O)c1cccc(NC(=S)Nc2ccc([S-])c(OC)c2)c1 ZINC001195848476 1135475277 /nfs/dbraw/zinc/47/52/77/1135475277.db2.gz SMSZOQRASXLYON-UHFFFAOYSA-N -1 0 348.449 3.579 20 0 EHADRM [O-]c1cc(F)cnc1NC(=S)Nc1ccc(C(F)(F)F)cc1 ZINC001196161684 1135525883 /nfs/dbraw/zinc/52/58/83/1135525883.db2.gz MXKCRTLMGVQFDD-UHFFFAOYSA-N -1 0 331.294 3.754 20 0 EHADRM CC1(C)C[C@H](N(Cc2ccccc2)C(=O)c2cccc(F)c2[O-])CO1 ZINC001130925441 1135539668 /nfs/dbraw/zinc/53/96/68/1135539668.db2.gz DXJACVAUPNAFDT-HNNXBMFYSA-N -1 0 343.398 3.741 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000775709528 1135548688 /nfs/dbraw/zinc/54/86/88/1135548688.db2.gz HUZYNGFSOYNFLD-CQSZACIVSA-N -1 0 345.782 3.752 20 0 EHADRM CCN(C(=O)c1cc(Cl)ncc1[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC001196387401 1135554029 /nfs/dbraw/zinc/55/40/29/1135554029.db2.gz OMECDKCNINBYBG-GFCCVEGCSA-N -1 0 348.830 3.543 20 0 EHADRM Cc1ccc(CCCO)c(NC(=O)c2cc(Cl)c(F)cc2[O-])c1 ZINC001196468003 1135563913 /nfs/dbraw/zinc/56/39/13/1135563913.db2.gz WSKBDYGIDZDMKO-UHFFFAOYSA-N -1 0 337.778 3.670 20 0 EHADRM COc1cc(NC(=S)Nc2ccc(C(C)=O)cc2)ccc1[S-] ZINC001196564295 1135576260 /nfs/dbraw/zinc/57/62/60/1135576260.db2.gz ZTNDYSCOEALRCI-UHFFFAOYSA-N -1 0 332.450 3.995 20 0 EHADRM COc1ccc(F)c(S(=O)(=O)[N-]c2cc3ccccc3s2)c1 ZINC001196722258 1135599786 /nfs/dbraw/zinc/59/97/86/1135599786.db2.gz CRZODGGPSFTQLO-UHFFFAOYSA-N -1 0 337.397 3.850 20 0 EHADRM COc1ccc(F)c(S(=O)(=O)[N-]c2cc3cccccc-3c2)c1 ZINC001196726183 1135600549 /nfs/dbraw/zinc/60/05/49/1135600549.db2.gz LGCMKIHKVSSHSS-UHFFFAOYSA-N -1 0 331.368 3.740 20 0 EHADRM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2C)c1 ZINC000808087148 1135615888 /nfs/dbraw/zinc/61/58/88/1135615888.db2.gz NQLSNSKMUWDPOO-LLVKDONJSA-N -1 0 340.832 3.552 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000775752511 1135635589 /nfs/dbraw/zinc/63/55/89/1135635589.db2.gz BETQARWDGLMKOW-ZDUSSCGKSA-N -1 0 347.802 3.673 20 0 EHADRM Cc1cccc(CCN(C)C(=S)Nc2ccc(C(=O)[O-])cc2)c1 ZINC001197096748 1135645203 /nfs/dbraw/zinc/64/52/03/1135645203.db2.gz KCFBMSAPKPIJID-UHFFFAOYSA-N -1 0 328.437 3.565 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N2Cc3ccccc3C(F)(F)C2)cc1 ZINC001197076148 1135647251 /nfs/dbraw/zinc/64/72/51/1135647251.db2.gz YOOGPJAYWQCKJI-UHFFFAOYSA-N -1 0 348.374 3.689 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NCCc2coc3ccccc23)cc1 ZINC001197130961 1135648034 /nfs/dbraw/zinc/64/80/34/1135648034.db2.gz PORDSYPDRJRUBZ-UHFFFAOYSA-N -1 0 340.404 3.660 20 0 EHADRM CC[C@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)c1cccc(F)c1 ZINC001197137263 1135648735 /nfs/dbraw/zinc/64/87/35/1135648735.db2.gz RMMIXFCUEYYCKC-HNNXBMFYSA-N -1 0 332.400 3.962 20 0 EHADRM COc1cc(C)c(NC(=S)Nc2ccc(C(=O)[O-])cc2)cc1OC ZINC001197107762 1135650297 /nfs/dbraw/zinc/65/02/97/1135650297.db2.gz LFCNAVOATBNJFM-UHFFFAOYSA-N -1 0 346.408 3.519 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2cc(F)c(F)c(F)c2F)cc1 ZINC001197108904 1135650887 /nfs/dbraw/zinc/65/08/87/1135650887.db2.gz VRGKERGFIWXOBW-UHFFFAOYSA-N -1 0 344.289 3.750 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2cc(O)c(Cl)cc2F)cc1 ZINC001197113526 1135651435 /nfs/dbraw/zinc/65/14/35/1135651435.db2.gz TXCUFAUZYLYVDA-UHFFFAOYSA-N -1 0 340.763 3.692 20 0 EHADRM Cc1ccccc1[C@H]1CN(C(=O)c2cccc(Cl)c2[O-])[C@@H](C)CO1 ZINC000775759092 1135651551 /nfs/dbraw/zinc/65/15/51/1135651551.db2.gz VYTLRVCESKPKIO-SUMWQHHRSA-N -1 0 345.826 3.956 20 0 EHADRM CC(C)[PH+](CCNC(=S)Nc1ccc(C(=O)[O-])cc1)C(C)C ZINC001197147830 1135654213 /nfs/dbraw/zinc/65/42/13/1135654213.db2.gz RBUVFFIHINKQBA-UHFFFAOYSA-N -1 0 340.429 3.970 20 0 EHADRM S=c1[nH]nc(Cc2cccs2)n1C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000102885654 1135688634 /nfs/dbraw/zinc/68/86/34/1135688634.db2.gz VUYIAQCIIGHJKR-CQSZACIVSA-N -1 0 334.514 3.815 20 0 EHADRM COc1ccc(F)cc1[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC001197673838 1135720486 /nfs/dbraw/zinc/72/04/86/1135720486.db2.gz ZELDFOYEAOPSLB-UHFFFAOYSA-N -1 0 347.770 3.569 20 0 EHADRM CCCCC[C@H](CC)C(=O)Nc1cc(S(=O)(=O)CC)ccc1[O-] ZINC000775781602 1135725486 /nfs/dbraw/zinc/72/54/86/1135725486.db2.gz PWQJASKKQKXHMX-ZDUSSCGKSA-N -1 0 341.473 3.731 20 0 EHADRM CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1cccc(Cl)c1[O-] ZINC000775815283 1135766593 /nfs/dbraw/zinc/76/65/93/1135766593.db2.gz IPPKPGHGPUVXPD-MGPLVRAMSA-N -1 0 337.778 3.691 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000809066023 1135770899 /nfs/dbraw/zinc/77/08/99/1135770899.db2.gz YIEKMZODNHYXRV-RCCFBDPRSA-N -1 0 349.496 3.548 20 0 EHADRM O=C(N[C@H](c1ccccc1)[C@@H]1CCOC1)c1cccc(Cl)c1[O-] ZINC000775815867 1135770965 /nfs/dbraw/zinc/77/09/65/1135770965.db2.gz SPXWMOTXCSHUSK-CZUORRHYSA-N -1 0 331.799 3.553 20 0 EHADRM Cc1ncc(S(=O)(=O)[N-]c2ccc(C3CC3)c3ccccc23)n1C ZINC001198404201 1135811340 /nfs/dbraw/zinc/81/13/40/1135811340.db2.gz QEAWOESFTJDXRD-UHFFFAOYSA-N -1 0 341.436 3.560 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cc(C)c3ccccc3n2)c(C)c1 ZINC001198904802 1135868715 /nfs/dbraw/zinc/86/87/15/1135868715.db2.gz BTHISFWNKHZPSY-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000775943074 1135887530 /nfs/dbraw/zinc/88/75/30/1135887530.db2.gz PKCLSUSCQMYYLN-SCZZXKLOSA-N -1 0 344.358 3.920 20 0 EHADRM O=C([N-][C@@H](c1cc(F)cc(Br)c1)C1CC1)C(F)(F)F ZINC000775958410 1135903070 /nfs/dbraw/zinc/90/30/70/1135903070.db2.gz GKCHUDRIWJVJGY-SNVBAGLBSA-N -1 0 340.114 3.718 20 0 EHADRM COCCC1(CNC(=O)c2cccc(Cl)c2[O-])CCCCC1 ZINC000775990117 1135912742 /nfs/dbraw/zinc/91/27/42/1135912742.db2.gz MIYBTHZBODAEAK-UHFFFAOYSA-N -1 0 325.836 3.762 20 0 EHADRM [O-]c1cc(NC(=S)Nc2ccc(-n3cccn3)cc2)cc(F)c1F ZINC001200883269 1135963294 /nfs/dbraw/zinc/96/32/94/1135963294.db2.gz WRQQWANDAAIOFN-UHFFFAOYSA-N -1 0 346.362 3.665 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2Br)cc1 ZINC001201773088 1136061922 /nfs/dbraw/zinc/06/19/22/1136061922.db2.gz QLBYTCFXNOZDIS-UHFFFAOYSA-N -1 0 344.205 3.697 20 0 EHADRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1csc2cnccc12 ZINC001201733732 1136062523 /nfs/dbraw/zinc/06/25/23/1136062523.db2.gz ZNSLTAGZVVLLOA-UHFFFAOYSA-N -1 0 345.858 3.515 20 0 EHADRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1cc(Cl)cs1 ZINC001201736024 1136062702 /nfs/dbraw/zinc/06/27/02/1136062702.db2.gz NWVGTHGVOAXMCV-UHFFFAOYSA-N -1 0 329.255 3.621 20 0 EHADRM C[C@H]1CN(c2ccc(NC(=O)c3cccc(Cl)c3[O-])cc2)CCO1 ZINC000776232135 1136088562 /nfs/dbraw/zinc/08/85/62/1136088562.db2.gz SILOVCRLGCHDKB-LBPRGKRZSA-N -1 0 346.814 3.523 20 0 EHADRM O=C(Nc1ccc(Cl)cc1)Nc1ncc(Br)cc1[O-] ZINC001202363709 1136133737 /nfs/dbraw/zinc/13/37/37/1136133737.db2.gz FMQYONQWRSQMHL-UHFFFAOYSA-N -1 0 342.580 3.847 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)c2cc(C(=O)[O-])ccc2Cl)s1 ZINC000811819200 1136145563 /nfs/dbraw/zinc/14/55/63/1136145563.db2.gz JNDWNAQUYFLWPL-SECBINFHSA-N -1 0 337.828 3.769 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)n[nH]c1C1CC1 ZINC000747764362 1136167116 /nfs/dbraw/zinc/16/71/16/1136167116.db2.gz QUZXKYWIXZKFFX-UHFFFAOYSA-N -1 0 339.486 3.755 20 0 EHADRM CCC[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1F)C(C)C ZINC000828133120 1136195994 /nfs/dbraw/zinc/19/59/94/1136195994.db2.gz NDCUXKQXTQXXLW-WFASDCNBSA-N -1 0 327.371 3.669 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCCCC(C)(C)C)c(F)c1F ZINC000813195664 1136302656 /nfs/dbraw/zinc/30/26/56/1136302656.db2.gz XKDUEMMNDOFCMZ-UHFFFAOYSA-N -1 0 347.427 3.685 20 0 EHADRM CC1=CC[C@@](C)(C(=O)[N-]S(=O)(=O)c2cccc3ccccc32)CC1 ZINC000850972397 1136324070 /nfs/dbraw/zinc/32/40/70/1136324070.db2.gz ADPFVKLOGBNMAU-LJQANCHMSA-N -1 0 343.448 3.781 20 0 EHADRM CCCC[C@](C)(F)C(=O)[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000850973505 1136324302 /nfs/dbraw/zinc/32/43/02/1136324302.db2.gz VTBBFTCRCCPSIT-KRWDZBQOSA-N -1 0 337.416 3.563 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)CCC2)c1ccc(Cl)nc1Cl ZINC000109688401 1136328536 /nfs/dbraw/zinc/32/85/36/1136328536.db2.gz XYOKGKBZNMELAR-UHFFFAOYSA-N -1 0 343.235 3.678 20 0 EHADRM COc1cccc(CC2(C(=O)[N-]O[C@@H]3CCCCO3)CCCCC2)c1 ZINC000813432349 1136331382 /nfs/dbraw/zinc/33/13/82/1136331382.db2.gz WEFQNVMKAUQJSV-GOSISDBHSA-N -1 0 347.455 3.763 20 0 EHADRM CCCCC(=O)O[C@@H]1C[C@H]([N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000851176337 1136346870 /nfs/dbraw/zinc/34/68/70/1136346870.db2.gz OQALIEOOYWLOGQ-QWHCGFSZSA-N -1 0 329.318 3.584 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000776525118 1136363906 /nfs/dbraw/zinc/36/39/06/1136363906.db2.gz IJITXTNFFBEPOC-YOEHRIQHSA-N -1 0 343.448 3.595 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cccc(C)c1C ZINC000814018699 1136386696 /nfs/dbraw/zinc/38/66/96/1136386696.db2.gz BJGIVRPNWPPLFW-KRWDZBQOSA-N -1 0 331.437 3.514 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccccc1SC ZINC000814020028 1136387092 /nfs/dbraw/zinc/38/70/92/1136387092.db2.gz PQHHLAWMOKUSCS-MRXNPFEDSA-N -1 0 349.477 3.619 20 0 EHADRM CC(C)Oc1cccc([C@H](C)NC(=O)c2ccc(/C=C/C(=O)[O-])o2)c1 ZINC000851593671 1136394847 /nfs/dbraw/zinc/39/48/47/1136394847.db2.gz AIFKUMZRIPLNCE-FROQITRMSA-N -1 0 343.379 3.656 20 0 EHADRM C[C@]1(c2ccccc2)CCCN(C(=O)c2ccc(/C=C\C(=O)[O-])o2)C1 ZINC000851594013 1136395109 /nfs/dbraw/zinc/39/51/09/1136395109.db2.gz FVUNURDGUNGDNI-XADARROHSA-N -1 0 339.391 3.571 20 0 EHADRM CCC[C@@H](CCc1ccccc1)NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851595329 1136395231 /nfs/dbraw/zinc/39/52/31/1136395231.db2.gz OFTOYVSDXHHPQK-GRNBYLDVSA-N -1 0 341.407 3.909 20 0 EHADRM CCCCc1ccc(N(C)C(=O)c2ccc(/C=C\C(=O)[O-])o2)cc1 ZINC000851602378 1136395636 /nfs/dbraw/zinc/39/56/36/1136395636.db2.gz SNBVNOGRIDHLCL-QBFSEMIESA-N -1 0 327.380 3.997 20 0 EHADRM CCOc1ccccc1[C@H](CC)NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851604689 1136395921 /nfs/dbraw/zinc/39/59/21/1136395921.db2.gz DDRBYUZDHXYUPI-PABFRNLHSA-N -1 0 343.379 3.657 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)o1 ZINC000851604955 1136396300 /nfs/dbraw/zinc/39/63/00/1136396300.db2.gz DCEWZSLOOTWJOY-XLMABTLZSA-N -1 0 339.391 3.519 20 0 EHADRM O=C([O-])C[C@@H](CNC(=O)CCc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000851620615 1136396620 /nfs/dbraw/zinc/39/66/20/1136396620.db2.gz PMXWWGLQQBHGLP-LBPRGKRZSA-N -1 0 344.238 3.543 20 0 EHADRM CCN(C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)[C@H](C)C(=O)[O-] ZINC000851696866 1136399724 /nfs/dbraw/zinc/39/97/24/1136399724.db2.gz YNEWBCCPQUVKFA-ZPBHHCQCSA-N -1 0 349.736 3.607 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2cccc(NC3CCCC3)c2)CC1 ZINC000851694181 1136399830 /nfs/dbraw/zinc/39/98/30/1136399830.db2.gz YCBFJYWBIKCFSK-UHFFFAOYSA-N -1 0 330.428 3.871 20 0 EHADRM CCCC[C@H](CC)CC(=O)Nc1nc(Cl)c(C(=O)OCC)[n-]1 ZINC001134100801 1136406739 /nfs/dbraw/zinc/40/67/39/1136406739.db2.gz JMPFYGGGBOPHRJ-JTQLQIEISA-N -1 0 329.828 3.785 20 0 EHADRM C/C(=C\C(=O)N[C@@H](CC(=O)[O-])c1ccccc1C)c1cccc(F)c1 ZINC000776673445 1136528997 /nfs/dbraw/zinc/52/89/97/1136528997.db2.gz PYDYGADEPWITHU-MDNBWPLSSA-N -1 0 341.382 3.870 20 0 EHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCC[C@H](c2ccccn2)C1 ZINC000854643160 1136634146 /nfs/dbraw/zinc/63/41/46/1136634146.db2.gz VCBUOAWGBHSARB-ZDUSSCGKSA-N -1 0 339.420 3.531 20 0 EHADRM O=S(=O)([N-]c1ccc2[nH]ccc2c1)c1ccc(Cl)nc1Cl ZINC000112617984 1136642500 /nfs/dbraw/zinc/64/25/00/1136642500.db2.gz SSHCCUOMWKNASW-UHFFFAOYSA-N -1 0 342.207 3.671 20 0 EHADRM C[C@@]1(CCNC(=O)c2ccc3oc(=S)[n-]c3c2)C[C@]1(F)Cl ZINC000855019295 1136661277 /nfs/dbraw/zinc/66/12/77/1136661277.db2.gz XJLOLODKNRRNHI-ZIAGYGMSSA-N -1 0 328.796 3.551 20 0 EHADRM Cc1cc(SCC(=O)[N-]OCc2ccccc2)nc2ccccc12 ZINC000010319452 1136700540 /nfs/dbraw/zinc/70/05/40/1136700540.db2.gz ZNCPHQAKSMKQAP-UHFFFAOYSA-N -1 0 338.432 3.883 20 0 EHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000855955723 1136744465 /nfs/dbraw/zinc/74/44/65/1136744465.db2.gz UHSLOIMCBNWDCN-UKRRQHHQSA-N -1 0 346.452 3.538 20 0 EHADRM C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[N-]Oc1ccccc1 ZINC000816684604 1136748305 /nfs/dbraw/zinc/74/83/05/1136748305.db2.gz IYHRWOGOFZEYBW-SNVBAGLBSA-N -1 0 326.179 3.871 20 0 EHADRM Cc1ccc(OCCCNC(=O)c2ccc3oc(=S)[n-]c3c2)cc1 ZINC000816914411 1136765518 /nfs/dbraw/zinc/76/55/18/1136765518.db2.gz PQTPLLXDQJXLOQ-UHFFFAOYSA-N -1 0 342.420 3.624 20 0 EHADRM CCC[C@@]1(COC)CCCN1C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000816974540 1136768981 /nfs/dbraw/zinc/76/89/81/1136768981.db2.gz GGPMUELNWADZNQ-KRWDZBQOSA-N -1 0 334.441 3.538 20 0 EHADRM CC[C@@H](C)CONC(=O)CCc1nnc(-c2cc3ccccc3o2)o1 ZINC000816978046 1136769259 /nfs/dbraw/zinc/76/92/59/1136769259.db2.gz LVHKKCFSOXGPAY-GFCCVEGCSA-N -1 0 343.383 3.509 20 0 EHADRM CC[C@@H](C)CO[N-]C(=O)C1(c2cc(F)cc(Br)c2)CC1 ZINC000816978975 1136769850 /nfs/dbraw/zinc/76/98/50/1136769850.db2.gz FEKLHJGWVPCAQP-SNVBAGLBSA-N -1 0 344.224 3.714 20 0 EHADRM CCCCC[C@H]1CCCCN1C(=O)c1n[n-]c2ccccc2c1=O ZINC000856270356 1136771137 /nfs/dbraw/zinc/77/11/37/1136771137.db2.gz LSTWXVPYTVSBCF-AWEZNQCLSA-N -1 0 327.428 3.910 20 0 EHADRM CCCCCC[C@@H](CC)CN(C)C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000856300670 1136773706 /nfs/dbraw/zinc/77/37/06/1136773706.db2.gz UPXUTWVLCVMYBH-CYBMUJFWSA-N -1 0 333.432 3.997 20 0 EHADRM O=C(Nc1cc(F)cc(F)c1)c1cc(Br)c(F)cc1[O-] ZINC001135836343 1136784740 /nfs/dbraw/zinc/78/47/40/1136784740.db2.gz JYLMJGBXZVOGAU-UHFFFAOYSA-N -1 0 346.102 3.824 20 0 EHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N1CC2CC1(c1ccccc1)C2 ZINC000856442768 1136786116 /nfs/dbraw/zinc/78/61/16/1136786116.db2.gz VBPZFNQVNVEJSL-UHFFFAOYSA-N -1 0 336.416 3.878 20 0 EHADRM CC(C)(CNC(=O)c1ccc2oc(=S)[n-]c2c1)CC(F)(F)F ZINC000856518396 1136791538 /nfs/dbraw/zinc/79/15/38/1136791538.db2.gz NCDDRJSRJWYHPT-UHFFFAOYSA-N -1 0 332.347 3.825 20 0 EHADRM COc1cc(OC)cc([C@H](C)Nc2ccccc2/C=C/C(=O)[O-])c1 ZINC001170933526 1136954360 /nfs/dbraw/zinc/95/43/60/1136954360.db2.gz MKTNOSBPFKERGQ-XEHSLEBBSA-N -1 0 327.380 3.975 20 0 EHADRM CCSc1nc(C)c([C@@H](CC)C(=O)[N-]O[C@H]2CCCCO2)s1 ZINC001136459842 1137031180 /nfs/dbraw/zinc/03/11/80/1137031180.db2.gz ISOISGVLLWEZQJ-NEPJUHHUSA-N -1 0 344.502 3.632 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)cc1Cl ZINC000821853074 1137040331 /nfs/dbraw/zinc/04/03/31/1137040331.db2.gz JOPKXAXVUAXJEG-WTKPLQERSA-N -1 0 331.755 3.699 20 0 EHADRM O=C(Cc1csc(C2CCCC2)n1)[N-]OCc1ccc(F)cc1 ZINC000821919290 1137044404 /nfs/dbraw/zinc/04/44/04/1137044404.db2.gz BHYGZUHIBXWWRD-UHFFFAOYSA-N -1 0 334.416 3.730 20 0 EHADRM Cc1ccc(NC(=O)c2s[n-]c(=O)c2Cl)cc1OCC(F)F ZINC001136555159 1137052209 /nfs/dbraw/zinc/05/22/09/1137052209.db2.gz FLWXFAYAZMOCJL-UHFFFAOYSA-N -1 0 348.758 3.707 20 0 EHADRM Cc1ccc(Cl)c(OCC(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC000013401830 1137080766 /nfs/dbraw/zinc/08/07/66/1137080766.db2.gz BJUFWGJBGVPSMD-WEVVVXLNSA-N -1 0 345.782 3.764 20 0 EHADRM CN(C(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1C(=O)[O-] ZINC000013441251 1137085431 /nfs/dbraw/zinc/08/54/31/1137085431.db2.gz DPUAGUGDRTWLHU-UHFFFAOYSA-N -1 0 339.269 3.560 20 0 EHADRM CCCCC[C@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)C(C)(C)C ZINC000861452421 1137107594 /nfs/dbraw/zinc/10/75/94/1137107594.db2.gz UYSXNRCTVAHYPZ-ILXRZTDVSA-N -1 0 326.481 3.734 20 0 EHADRM COC(=O)c1occc1/C=C/c1cc(C(=O)[O-])c2ccc(F)cc2n1 ZINC000031855783 1137117712 /nfs/dbraw/zinc/11/77/12/1137117712.db2.gz ZYSKCKGWRKUBQZ-DUXPYHPUSA-N -1 0 341.294 3.622 20 0 EHADRM CC[C@H](C(=O)[N-]OC/C=C/Cl)c1ccc(Br)cc1 ZINC000861782644 1137120813 /nfs/dbraw/zinc/12/08/13/1137120813.db2.gz GTRDXMYNTSKBLC-DGDCUBRUSA-N -1 0 332.625 3.743 20 0 EHADRM O=C(NCCc1c[nH]c2ccccc12)c1ccc2[n-]c(=S)oc2c1 ZINC000118753573 1137129245 /nfs/dbraw/zinc/12/92/45/1137129245.db2.gz IVGBULZXJDRHSJ-UHFFFAOYSA-N -1 0 337.404 3.570 20 0 EHADRM O=C(NCc1nc2ccccc2s1)c1ccc2[n-]c(=S)oc2c1 ZINC000118753323 1137129358 /nfs/dbraw/zinc/12/93/58/1137129358.db2.gz KDIWKMLEOBXURM-UHFFFAOYSA-N -1 0 341.417 3.656 20 0 EHADRM O=C(Nc1ccc(-n2ccnc2)cc1)c1ccc2[n-]c(=S)oc2c1 ZINC000118766127 1137131277 /nfs/dbraw/zinc/13/12/77/1137131277.db2.gz FVLAXPFAHWDWSY-UHFFFAOYSA-N -1 0 336.376 3.555 20 0 EHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000824355641 1137134228 /nfs/dbraw/zinc/13/42/28/1137134228.db2.gz GSMNPGKQBWTAED-KCXRBIIJSA-N -1 0 328.437 3.767 20 0 EHADRM Cc1sc(CC(=O)[N-]OCCCC(F)(F)F)nc1-c1ccco1 ZINC000825361976 1137174570 /nfs/dbraw/zinc/17/45/70/1137174570.db2.gz ZJCSTMDZYNBKOS-UHFFFAOYSA-N -1 0 348.346 3.644 20 0 EHADRM CC(C)(C(=O)[N-]OCc1ccccc1OC1CC1)c1ccccc1 ZINC000863457859 1137187406 /nfs/dbraw/zinc/18/74/06/1137187406.db2.gz YSJXIRYAVVPIIY-UHFFFAOYSA-N -1 0 325.408 3.753 20 0 EHADRM CCCO[N-]C(=O)[C@@H]1CCCc2sc(Nc3ccccc3)nc21 ZINC000844090232 1137196899 /nfs/dbraw/zinc/19/68/99/1137196899.db2.gz IVSGFXSDKYDTFF-CYBMUJFWSA-N -1 0 331.441 3.764 20 0 EHADRM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000864100226 1137214943 /nfs/dbraw/zinc/21/49/43/1137214943.db2.gz SLUIRIALQUTGDC-HCYCVZQXSA-N -1 0 339.391 3.818 20 0 EHADRM CC(C)(C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)[C@H]1CCCCO1 ZINC000864099599 1137215075 /nfs/dbraw/zinc/21/50/75/1137215075.db2.gz DHLIHLHJLLOJSA-CYBMUJFWSA-N -1 0 325.792 3.572 20 0 EHADRM CC(C)C[C@@H](NC(=O)/C=C\c1cc(C(=O)[O-])co1)c1cccs1 ZINC000864106174 1137215183 /nfs/dbraw/zinc/21/51/83/1137215183.db2.gz XWMXKQDMAHEMKS-GEXIGZQTSA-N -1 0 333.409 3.956 20 0 EHADRM CN(C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])c1ccsc1 ZINC001143920537 1137215268 /nfs/dbraw/zinc/21/52/68/1137215268.db2.gz KTGFVZSQXMKGTL-UHFFFAOYSA-N -1 0 333.800 3.569 20 0 EHADRM O=C([O-])c1coc(/C=C\C(=O)N2CCCC[C@@H]2Cc2ccccc2)c1 ZINC000864107790 1137215460 /nfs/dbraw/zinc/21/54/60/1137215460.db2.gz YCHVXRAQXBMWID-DOOKAGJSSA-N -1 0 339.391 3.615 20 0 EHADRM C[C@]1(c2ccccc2)CCCN(C(=O)/C=C\c2cc(C(=O)[O-])co2)C1 ZINC000864110234 1137215501 /nfs/dbraw/zinc/21/55/01/1137215501.db2.gz NOOZNTQWFROWRY-GWQNQTGSSA-N -1 0 339.391 3.571 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(OCC3CC3)cc2)cc1C(=O)[O-] ZINC000864110190 1137215573 /nfs/dbraw/zinc/21/55/73/1137215573.db2.gz MJHLYUUEXPTNBL-UHFFFAOYSA-N -1 0 325.364 3.734 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)/C=C/c1csc(C(F)(F)F)c1 ZINC000864112977 1137215763 /nfs/dbraw/zinc/21/57/63/1137215763.db2.gz NRLRCVMKDHWTHN-ONEGZZNKSA-N -1 0 349.374 3.739 20 0 EHADRM O=C([O-])C1(CNC(=O)/C=C\c2csc(C(F)(F)F)c2)CCCC1 ZINC000864122051 1137216008 /nfs/dbraw/zinc/21/60/08/1137216008.db2.gz LWZTZTFXFXKXAW-ARJAWSKDSA-N -1 0 347.358 3.541 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)c1cnn(C(C)C)c1Cl)C(=O)[O-] ZINC000864131516 1137216398 /nfs/dbraw/zinc/21/63/98/1137216398.db2.gz XJGFHXONAUUCPZ-MRXNPFEDSA-N -1 0 343.855 3.661 20 0 EHADRM C[C@@H](CN(C(=O)CCc1ccc(F)c2ccccc12)C1CC1)C(=O)[O-] ZINC000864129382 1137216523 /nfs/dbraw/zinc/21/65/23/1137216523.db2.gz AITYKOGZPVKGCQ-ZDUSSCGKSA-N -1 0 343.398 3.623 20 0 EHADRM CCC[C@@H](C(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccccn1 ZINC000864135372 1137216865 /nfs/dbraw/zinc/21/68/65/1137216865.db2.gz KRCOPNNKCNTYPX-MRXNPFEDSA-N -1 0 326.396 3.621 20 0 EHADRM C[C@@H]1CN(C(=O)C2(c3ccccc3)CCCCCC2)CC[C@H]1C(=O)[O-] ZINC000864140493 1137217009 /nfs/dbraw/zinc/21/70/09/1137217009.db2.gz BBLGCQOFDHUECJ-SJLPKXTDSA-N -1 0 343.467 3.848 20 0 EHADRM O=C([O-])[C@H]1CCCCCN1C(=O)/C=C/c1csc(C(F)(F)F)c1 ZINC000864158468 1137217602 /nfs/dbraw/zinc/21/76/02/1137217602.db2.gz MFBAVWLLNYBZFU-MVIFTORASA-N -1 0 347.358 3.636 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)/C=C\c1ccsc1C(F)(F)F ZINC000864160277 1137217655 /nfs/dbraw/zinc/21/76/55/1137217655.db2.gz VGJLWERMEPZPNK-MXFLAHGMSA-N -1 0 347.358 3.540 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CNC(=O)c2cc(C(=O)[O-])ccc2Cl)o1 ZINC000864177406 1137217900 /nfs/dbraw/zinc/21/79/00/1137217900.db2.gz DBDKFOKFSNOEIQ-CABZTGNLSA-N -1 0 333.771 3.685 20 0 EHADRM CC[C@@H](c1ccccc1OC)N(C)C(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000864177165 1137217917 /nfs/dbraw/zinc/21/79/17/1137217917.db2.gz IETMEZLZTOAWMI-KRWDZBQOSA-N -1 0 341.407 3.925 20 0 EHADRM CC[C@H](c1ccccc1OC)N(C)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000864176950 1137217943 /nfs/dbraw/zinc/21/79/43/1137217943.db2.gz AHUZGEOQYZDKMD-KUGGDMIFSA-N -1 0 343.379 3.609 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)CCSc1ccc(Cl)cc1)C1CC1 ZINC000864197678 1137218686 /nfs/dbraw/zinc/21/86/86/1137218686.db2.gz JECNGKMNQKIIED-INIZCTEOSA-N -1 0 341.860 3.582 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N[C@](C)(CC(=O)[O-])C3CC3)[nH]c2c1 ZINC000864198874 1137218822 /nfs/dbraw/zinc/21/88/22/1137218822.db2.gz OBSXJYWERSKYMT-LJQANCHMSA-N -1 0 328.412 3.665 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)c1ccc(CCC(F)(F)F)cc1)C1CC1 ZINC000864204390 1137218839 /nfs/dbraw/zinc/21/88/39/1137218839.db2.gz XVXRTBFVYQAONB-INIZCTEOSA-N -1 0 343.345 3.555 20 0 EHADRM O=C([O-])C1(C(=O)N2CCC[C@@](F)(c3ccccc3)C2)CC2(CCC2)C1 ZINC000864201638 1137218891 /nfs/dbraw/zinc/21/88/91/1137218891.db2.gz DBDYLUCCKYUSHB-FQEVSTJZSA-N -1 0 345.414 3.509 20 0 EHADRM Cc1cc(C(F)F)oc1C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000864228632 1137219315 /nfs/dbraw/zinc/21/93/15/1137219315.db2.gz QVMOLPQYAIQDBR-JTQLQIEISA-N -1 0 335.306 3.744 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)c2cnc(C(C)C)s2)c1 ZINC000864229860 1137219379 /nfs/dbraw/zinc/21/93/79/1137219379.db2.gz NWZSJBWNLKOZBN-CYBMUJFWSA-N -1 0 332.425 3.521 20 0 EHADRM Cc1nc(CNCc2csc(C(F)(F)F)c2)sc1C(=O)[O-] ZINC000864504986 1137230479 /nfs/dbraw/zinc/23/04/79/1137230479.db2.gz VXAYSWRIHGIAAP-UHFFFAOYSA-N -1 0 336.360 3.520 20 0 EHADRM C/C(=C\c1ccc(-c2ccccc2OC[C@H]2CCOC2)o1)C(=O)[O-] ZINC000864609398 1137236486 /nfs/dbraw/zinc/23/64/86/1137236486.db2.gz USXBBXWNJBTOQZ-UELRPHRMSA-N -1 0 328.364 3.850 20 0 EHADRM Cc1cc(SC(C)(C)C)ccc1NCc1cn(C)nc1C(=O)[O-] ZINC000864783110 1137245812 /nfs/dbraw/zinc/24/58/12/1137245812.db2.gz GMEHAEREVJQGTE-UHFFFAOYSA-N -1 0 333.457 3.929 20 0 EHADRM CCc1nc(Cl)c(C)c(N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)n1 ZINC000844931725 1137263540 /nfs/dbraw/zinc/26/35/40/1137263540.db2.gz VMYJZBSPJZYUEQ-CHWSQXEVSA-N -1 0 331.803 3.726 20 0 EHADRM CCc1c(Cl)nc(C)nc1N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000844931769 1137263692 /nfs/dbraw/zinc/26/36/92/1137263692.db2.gz VWMPFPXAKVLBOG-KGLIPLIRSA-N -1 0 331.803 3.726 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](Nc2cc(Cl)nc(C3CC3)n2)c2ccccc21 ZINC000844930808 1137263719 /nfs/dbraw/zinc/26/37/19/1137263719.db2.gz GBKQXTKWENLSKP-QWHCGFSZSA-N -1 0 329.787 3.733 20 0 EHADRM Cc1ccccc1CS(=O)(=O)[N-]C(=O)CCCCC(C)(C)C ZINC000805962263 1137265433 /nfs/dbraw/zinc/26/54/33/1137265433.db2.gz FHUWBYGJGOQFNV-UHFFFAOYSA-N -1 0 325.474 3.548 20 0 EHADRM O=C([O-])c1ccsc1CN1CCn2cccc2[C@@H]1c1ccccc1 ZINC001144665291 1137324686 /nfs/dbraw/zinc/32/46/86/1137324686.db2.gz QWQKYNRBGFIYQP-SFHVURJKSA-N -1 0 338.432 3.853 20 0 EHADRM C[C@H](C(=O)NCCCCCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000846118360 1137334109 /nfs/dbraw/zinc/33/41/09/1137334109.db2.gz MSVGQRKSIRTIBT-ZDUSSCGKSA-N -1 0 325.836 3.985 20 0 EHADRM O=C([O-])c1ccc([C@H](NC(=O)/C=C/C2CCCC2)C(F)(F)F)cc1 ZINC000846121435 1137334340 /nfs/dbraw/zinc/33/43/40/1137334340.db2.gz YMXALLNMAYGODF-RNOHYWCBSA-N -1 0 341.329 3.851 20 0 EHADRM CC(C)C[C@H](C(=O)[O-])N(C)Cc1csc(COc2ccccc2)n1 ZINC000846276185 1137344783 /nfs/dbraw/zinc/34/47/83/1137344783.db2.gz ZPBMSELTCRKNPI-MRXNPFEDSA-N -1 0 348.468 3.653 20 0 EHADRM Cc1nc(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)sc1-c1ccccc1 ZINC000846708951 1137363235 /nfs/dbraw/zinc/36/32/35/1137363235.db2.gz NYVKWZVBRJGJJT-GOSISDBHSA-N -1 0 342.420 3.868 20 0 EHADRM CC(C)Oc1ccccc1C(F)(F)C(=O)[N-]CC(F)(F)C(F)F ZINC000846992459 1137380671 /nfs/dbraw/zinc/38/06/71/1137380671.db2.gz JXOUCEIZHYDUFX-UHFFFAOYSA-N -1 0 343.267 3.582 20 0 EHADRM CN(C(=O)c1ccccc1O)[C@H](CO)c1cccc(Cl)c1Cl ZINC001146296869 1137388546 /nfs/dbraw/zinc/38/85/46/1137388546.db2.gz BIZIJCCFEHQACC-CYBMUJFWSA-N -1 0 340.206 3.505 20 0 EHADRM Cc1c(Cl)cc(NC(=O)c2cnc(Cl)nc2)c([O-])c1Cl ZINC001147727844 1137411198 /nfs/dbraw/zinc/41/11/98/1137411198.db2.gz LFNMEWZCCUXHIH-UHFFFAOYSA-N -1 0 332.574 3.703 20 0 EHADRM CCc1oc(C(=O)NCc2csc3ccccc23)cc1C(=O)[O-] ZINC000339086860 1137434368 /nfs/dbraw/zinc/43/43/68/1137434368.db2.gz KDGUHXUBCLHQEF-UHFFFAOYSA-N -1 0 329.377 3.685 20 0 EHADRM O=C(Nc1cccnc1-n1cccn1)c1cc(Cl)cc(Cl)c1[O-] ZINC001148806401 1137435267 /nfs/dbraw/zinc/43/52/67/1137435267.db2.gz UVFLDHLRBYVNQV-UHFFFAOYSA-N -1 0 349.177 3.532 20 0 EHADRM COc1ccc(C)nc1NC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001148805051 1137435418 /nfs/dbraw/zinc/43/54/18/1137435418.db2.gz DBMQGDWHKANDMK-UHFFFAOYSA-N -1 0 327.167 3.663 20 0 EHADRM O=C(N[C@@H]1CCCc2cnccc21)c1cc(Cl)cc(Cl)c1[O-] ZINC001148813819 1137435699 /nfs/dbraw/zinc/43/56/99/1137435699.db2.gz INLWMAYBKZGADR-CQSZACIVSA-N -1 0 337.206 3.901 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)[C@H](C)c2ccccc2)c1C ZINC000122715954 1137461794 /nfs/dbraw/zinc/46/17/94/1137461794.db2.gz JQGCGMAAGGCOHN-MRXNPFEDSA-N -1 0 345.464 3.529 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)[C@@H](C)c2ccccc2)c1C ZINC000122715741 1137461951 /nfs/dbraw/zinc/46/19/51/1137461951.db2.gz JQGCGMAAGGCOHN-INIZCTEOSA-N -1 0 345.464 3.529 20 0 EHADRM O=C([O-])c1ccccc1NCc1ccccc1OC1CCOCC1 ZINC001171383500 1137465436 /nfs/dbraw/zinc/46/54/36/1137465436.db2.gz HKIZCZLBRBYIAV-UHFFFAOYSA-N -1 0 327.380 3.555 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)C=C1CCC(C)CC1 ZINC000773317548 1137489114 /nfs/dbraw/zinc/48/91/14/1137489114.db2.gz RXFKLTLZAFKCHZ-UHFFFAOYSA-N -1 0 326.400 3.561 20 0 EHADRM COc1ccc(-n2cc([O-])c(C(=O)Nc3ccc4occc4c3)n2)cc1 ZINC001171627253 1137501553 /nfs/dbraw/zinc/50/15/53/1137501553.db2.gz JDPWAKXDXRNLAD-UHFFFAOYSA-N -1 0 349.346 3.585 20 0 EHADRM O=C(CSc1ccccc1Cl)[N-]OCCCC(F)(F)F ZINC000871210008 1137527227 /nfs/dbraw/zinc/52/72/27/1137527227.db2.gz PPVJZDFTYFDBMW-UHFFFAOYSA-N -1 0 327.755 3.822 20 0 EHADRM CC(C)(COCc1ccccc1)C(=O)[N-]OCCCC(F)(F)F ZINC000871215479 1137527825 /nfs/dbraw/zinc/52/78/25/1137527825.db2.gz CWKXIJNJUMRWDO-UHFFFAOYSA-N -1 0 333.350 3.620 20 0 EHADRM Cc1cccc(C)c1CS(=O)(=O)Nc1ccc(C)c(C(=O)[O-])c1C ZINC000871775511 1137557942 /nfs/dbraw/zinc/55/79/42/1137557942.db2.gz LQRROMKZJCJWID-UHFFFAOYSA-N -1 0 347.436 3.560 20 0 EHADRM COc1ccc(OC)c(CN[C@@H](CC(=O)[O-])c2ccccc2Cl)c1 ZINC000871883526 1137562495 /nfs/dbraw/zinc/56/24/95/1137562495.db2.gz PNXWPJJGAZKOHM-INIZCTEOSA-N -1 0 349.814 3.663 20 0 EHADRM CC(C)(C)n1nccc1[N-]S(=O)(=O)c1ccc(F)c(C(F)F)c1 ZINC000872003307 1137564182 /nfs/dbraw/zinc/56/41/82/1137564182.db2.gz LIPSKFBTKPQZPR-UHFFFAOYSA-N -1 0 347.362 3.516 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cccc(Cl)c2F)noc1C(C)(C)C ZINC000872007033 1137564335 /nfs/dbraw/zinc/56/43/35/1137564335.db2.gz HKAGLDOIXAWALX-UHFFFAOYSA-N -1 0 346.811 3.874 20 0 EHADRM Cc1c([N-]S(=O)(=O)Cc2ccc(C)cc2F)noc1C(C)(C)C ZINC000872007663 1137564336 /nfs/dbraw/zinc/56/43/36/1137564336.db2.gz WWCBBXGIJJKLAV-UHFFFAOYSA-N -1 0 340.420 3.670 20 0 EHADRM O=S(=O)([N-]c1cncc(C(F)F)c1)c1ccc2c(c1)CCCC2 ZINC000872010334 1137564371 /nfs/dbraw/zinc/56/43/71/1137564371.db2.gz NKNGYNSOCPOBLM-UHFFFAOYSA-N -1 0 338.379 3.699 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(C)cc2F)noc1C(C)(C)C ZINC000872007658 1137564415 /nfs/dbraw/zinc/56/44/15/1137564415.db2.gz WMNVDHPHUXAOPC-UHFFFAOYSA-N -1 0 326.393 3.529 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cnccc2C(F)(F)F)s1 ZINC000872011031 1137564464 /nfs/dbraw/zinc/56/44/64/1137564464.db2.gz SYSHVJJBDLHQEO-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM Cc1ccc(CN2CCO[C@@H](CCc3ccccc3)C2)cc1C(=O)[O-] ZINC000872159219 1137574517 /nfs/dbraw/zinc/57/45/17/1137574517.db2.gz QFLLCLXHIUTYNN-IBGZPJMESA-N -1 0 339.435 3.527 20 0 EHADRM O=C([O-])[C@H](c1cccc(Cl)c1Cl)[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000872163266 1137574746 /nfs/dbraw/zinc/57/47/46/1137574746.db2.gz BPPLJQSFVPYHDL-RBZYPMLTSA-N -1 0 346.279 3.804 20 0 EHADRM Cc1cc(C)c([N-]S(=O)(=O)c2onc(C3CC3)c2Cl)c(C)c1 ZINC000872330520 1137578627 /nfs/dbraw/zinc/57/86/27/1137578627.db2.gz JOPDZSYKZJKWDW-UHFFFAOYSA-N -1 0 340.832 3.931 20 0 EHADRM CCc1onc(C)c1[N-]S(=O)(=O)c1ccc2c3c(cccc31)CC2 ZINC000872360055 1137578936 /nfs/dbraw/zinc/57/89/36/1137578936.db2.gz YYMQQPANZGXDDC-UHFFFAOYSA-N -1 0 342.420 3.598 20 0 EHADRM O=C([O-])C1=C(C(=O)Nc2cccc(COCC3CC3)c2)CCCC1 ZINC000872840237 1137585393 /nfs/dbraw/zinc/58/53/93/1137585393.db2.gz NEYQVVWTJLUUFZ-UHFFFAOYSA-N -1 0 329.396 3.507 20 0 EHADRM CCC(CC)(CNC(=O)[C@@](C)(CC(=O)[O-])c1ccsc1)SC ZINC000872850796 1137585554 /nfs/dbraw/zinc/58/55/54/1137585554.db2.gz WYPWRCUPGCOKQV-HNNXBMFYSA-N -1 0 343.514 3.519 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000872850473 1137585562 /nfs/dbraw/zinc/58/55/62/1137585562.db2.gz KGRCQUFGEJBXHZ-UHFFFAOYSA-N -1 0 349.374 3.716 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)Nc1cccc(C(F)F)c1Cl ZINC000872856486 1137585681 /nfs/dbraw/zinc/58/56/81/1137585681.db2.gz DXHBDWNLKKZVHE-UHFFFAOYSA-N -1 0 337.775 3.813 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)N1CCCc2cc(F)ccc21)c1ccsc1 ZINC000872894678 1137586160 /nfs/dbraw/zinc/58/61/60/1137586160.db2.gz BKCSWAMOSOALLH-SFHVURJKSA-N -1 0 347.411 3.599 20 0 EHADRM Cc1cc([C@H]2CCCN2C(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)no1 ZINC000872899955 1137586326 /nfs/dbraw/zinc/58/63/26/1137586326.db2.gz QGHMKGADRGTPQU-VQIMIIECSA-N -1 0 348.443 3.708 20 0 EHADRM Cc1coc(-c2cccc(NC(=O)C3=C(C(=O)[O-])CCCC3)c2)n1 ZINC000872963159 1137587121 /nfs/dbraw/zinc/58/71/21/1137587121.db2.gz GAPGCIKHDZWNEI-UHFFFAOYSA-N -1 0 326.352 3.544 20 0 EHADRM C[C@H](NC(=O)CC1(C(=O)[O-])CCCCCC1)c1cc2cnccc2o1 ZINC000873001982 1137587749 /nfs/dbraw/zinc/58/77/49/1137587749.db2.gz ZDKQQPASMNDRKQ-ZDUSSCGKSA-N -1 0 344.411 3.820 20 0 EHADRM CC(C)C[C@](C)(CC(=O)[O-])C(=O)N[C@H](C)c1cc2cnccc2o1 ZINC000873001785 1137587780 /nfs/dbraw/zinc/58/77/80/1137587780.db2.gz UTJORJLUACSSNR-KZULUSFZSA-N -1 0 332.400 3.532 20 0 EHADRM CC(C)(C)Oc1cccc(CNC(=O)CC2(CC(=O)[O-])CCC2)c1 ZINC000873004063 1137587904 /nfs/dbraw/zinc/58/79/04/1137587904.db2.gz ROMZOXARGXKJCQ-UHFFFAOYSA-N -1 0 333.428 3.515 20 0 EHADRM O=C([N-]c1nnc(CC2CCCCC2)s1)c1cc(Cl)no1 ZINC000874369937 1137613318 /nfs/dbraw/zinc/61/33/18/1137613318.db2.gz RXMYDIHLIMMOCU-UHFFFAOYSA-N -1 0 326.809 3.555 20 0 EHADRM O=Cc1ccc(-c2csc(-c3nc(CC(=O)[O-])cs3)c2)cc1 ZINC000874971113 1137627298 /nfs/dbraw/zinc/62/72/98/1137627298.db2.gz QEXAUTNCVGZJSZ-UHFFFAOYSA-N -1 0 329.402 3.978 20 0 EHADRM O=C([N-]C1(c2csc(-c3ccc[nH]3)n2)CCCC1)C(F)(F)F ZINC000829634522 1137645794 /nfs/dbraw/zinc/64/57/94/1137645794.db2.gz IBLWEYADESQCQA-UHFFFAOYSA-N -1 0 329.347 3.586 20 0 EHADRM O=C(NCCc1cc2ccccc2[nH]1)c1ccc2[n-]c(=S)oc2c1 ZINC000126532642 1137677187 /nfs/dbraw/zinc/67/71/87/1137677187.db2.gz CYNLDHFTBZMPSV-UHFFFAOYSA-N -1 0 337.404 3.570 20 0 EHADRM O=C(C=Cc1ccnc(Cl)c1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000126942317 1137705191 /nfs/dbraw/zinc/70/51/91/1137705191.db2.gz ATFKVLYWNYYYSQ-DAFODLJHSA-N -1 0 331.784 3.817 20 0 EHADRM CC1(C)CCC[C@H]1NC(=O)c1cc(Br)c(F)cc1[O-] ZINC001137145355 1137752467 /nfs/dbraw/zinc/75/24/67/1137752467.db2.gz ATBNCMMURQHQKF-GFCCVEGCSA-N -1 0 330.197 3.602 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2ncsc2C2CC2)cc1 ZINC000882771725 1137833923 /nfs/dbraw/zinc/83/39/23/1137833923.db2.gz PURFXRAFXPGVMN-UHFFFAOYSA-N -1 0 326.468 3.543 20 0 EHADRM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2c(C)cccc2C)c1 ZINC000130415353 1137837020 /nfs/dbraw/zinc/83/70/20/1137837020.db2.gz XYIMLYQFVZNUNH-UHFFFAOYSA-N -1 0 337.828 3.960 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCCC[C@H](C2CCOCC2)C1 ZINC000882913911 1137838275 /nfs/dbraw/zinc/83/82/75/1137838275.db2.gz DWAKMMCPNISNHA-AWEZNQCLSA-N -1 0 337.847 3.715 20 0 EHADRM O=S(=O)([N-]c1cccc(F)n1)c1ccc(Cl)c2ccccc21 ZINC000130836753 1137842514 /nfs/dbraw/zinc/84/25/14/1137842514.db2.gz FUGBALWVOQBTOB-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM O=C([O-])[C@@H]1CCN(C[C@@H]2CC[C@@H](c3ccccc3)O2)c2ccccc21 ZINC000883407156 1137859997 /nfs/dbraw/zinc/85/99/97/1137859997.db2.gz MRQGKTQDLBQQCO-HQRMLTQVSA-N -1 0 337.419 3.985 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@@H](CC(C)C)c2ccccc2)s1 ZINC000348264608 1137886764 /nfs/dbraw/zinc/88/67/64/1137886764.db2.gz NTSWOEXZMVMYNZ-AWEZNQCLSA-N -1 0 332.473 3.821 20 0 EHADRM C[C@@H](c1ccc(OC(F)(F)F)cc1)[S@](=O)C=C([O-])c1ccc[nH]1 ZINC000108116730 1137888766 /nfs/dbraw/zinc/88/87/66/1137888766.db2.gz WFJPKPKRDFIQMQ-VCGICTTQSA-N -1 0 345.342 3.606 20 0 EHADRM CC[C@H](NC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1)c1nccs1 ZINC000348280746 1137892997 /nfs/dbraw/zinc/89/29/97/1137892997.db2.gz IJWBNYYXXFGMSL-SUMWQHHRSA-N -1 0 338.473 3.772 20 0 EHADRM CC[C@H]1CC[C@H](C)N1C(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000331447556 1137908851 /nfs/dbraw/zinc/90/88/51/1137908851.db2.gz WUPFFLBBYWFVCY-QWRGUYRKSA-N -1 0 336.486 3.792 20 0 EHADRM C[C@@H]1CCC(=O)[C@H](Sc2n[n-]c(=NC3CCCCC3)s2)C1 ZINC000331477114 1137909823 /nfs/dbraw/zinc/90/98/23/1137909823.db2.gz LGGRPNGLROGFCK-ZWNOBZJWSA-N -1 0 325.503 3.554 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)N=c2ccc(C3CC3)n[n-]2)c1C ZINC000333084757 1137954929 /nfs/dbraw/zinc/95/49/29/1137954929.db2.gz GGASJPZXSDNYKO-GOSISDBHSA-N -1 0 336.439 3.762 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)OCc2nnc(-c3ccccc3O)o2)C[C@@H]1C ZINC000884531389 1137962302 /nfs/dbraw/zinc/96/23/02/1137962302.db2.gz KZTTWYBVMRKIPN-AGIUHOORSA-N -1 0 330.384 3.558 20 0 EHADRM O=C(c1s[n-]c(=O)c1Cl)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000885215556 1137988891 /nfs/dbraw/zinc/98/88/91/1137988891.db2.gz IKQJBPDTNYPNMD-JLVNDZCYSA-N -1 0 334.828 3.820 20 0 EHADRM CC1(C)C[C@H](c2ccccc2)CN1C(=O)c1n[n-]c2ccccc2c1=O ZINC000885238280 1137990660 /nfs/dbraw/zinc/99/06/60/1137990660.db2.gz ZKRXHDSRVJHFEH-HNNXBMFYSA-N -1 0 347.418 3.744 20 0 EHADRM CCOc1ccncc1S(=O)(=O)[N-]c1c(C)cccc1C(C)C ZINC000886399034 1138073120 /nfs/dbraw/zinc/07/31/20/1138073120.db2.gz CLXBFGNFXWPZDM-UHFFFAOYSA-N -1 0 334.441 3.713 20 0 EHADRM CC(C)n1nccc1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000066248404 1138074516 /nfs/dbraw/zinc/07/45/16/1138074516.db2.gz FVKJWZFOOSLMKL-UHFFFAOYSA-N -1 0 334.228 3.572 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)CCCc2ccc(C3CC3)cc2)C1 ZINC000887327106 1138266981 /nfs/dbraw/zinc/26/69/81/1138266981.db2.gz XCXYSVVPRBVKEF-QGZVFWFLSA-N -1 0 343.467 3.990 20 0 EHADRM O=C([O-])c1c[nH]c2cc(NC(=O)C[C@@H]3CCC4(CCC4)CO3)ccc12 ZINC000887327972 1138267580 /nfs/dbraw/zinc/26/75/80/1138267580.db2.gz GEJTZEZWPKKCKA-ZDUSSCGKSA-N -1 0 342.395 3.544 20 0 EHADRM O=C(c1ccc(F)cc1[O-])N1CC[C@@H](CSc2ccccc2)C1 ZINC000123959938 1138276812 /nfs/dbraw/zinc/27/68/12/1138276812.db2.gz ZBTDUBBMDQLERB-CYBMUJFWSA-N -1 0 331.412 3.786 20 0 EHADRM O=C(c1ccc(F)cc1[O-])N1CC[C@H](CSc2ccccc2)C1 ZINC000123960141 1138276843 /nfs/dbraw/zinc/27/68/43/1138276843.db2.gz ZBTDUBBMDQLERB-ZDUSSCGKSA-N -1 0 331.412 3.786 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC[C@@H]2C2CCC2)n1 ZINC000333386155 1138284416 /nfs/dbraw/zinc/28/44/16/1138284416.db2.gz BSPIANNUKYDMJS-MRXNPFEDSA-N -1 0 339.439 3.545 20 0 EHADRM CCc1cc(=O)[nH]c(CS[C@@H](C)C(=O)Nc2cc(C)ccc2C)n1 ZINC000125572693 1138311853 /nfs/dbraw/zinc/31/18/53/1138311853.db2.gz XCSBQFQEGHUJIS-ZDUSSCGKSA-N -1 0 345.468 3.622 20 0 EHADRM CN(CCC1CCCCC1)C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000263752495 1138356763 /nfs/dbraw/zinc/35/67/63/1138356763.db2.gz XPPNWCCODSNGMZ-UHFFFAOYSA-N -1 0 345.468 3.667 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2ccc(F)c(C3CC3)c2)cc1C(=O)[O-] ZINC000337163983 1138483188 /nfs/dbraw/zinc/48/31/88/1138483188.db2.gz XEGXCGAVDRAIKW-UHFFFAOYSA-N -1 0 349.383 3.511 20 0 EHADRM C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000131462794 1138519267 /nfs/dbraw/zinc/51/92/67/1138519267.db2.gz UJMQYBDNFGPTAL-BZNIZROVSA-N -1 0 349.789 3.787 20 0 EHADRM Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(CCC(F)(F)F)c1 ZINC000131936820 1138552172 /nfs/dbraw/zinc/55/21/72/1138552172.db2.gz YTDOJZDPCYMDJT-UHFFFAOYSA-N -1 0 348.346 3.587 20 0 EHADRM CO[C@@H](C)c1nc(=NCc2cccc(COC(C)(C)C)c2)s[n-]1 ZINC000337910806 1138696841 /nfs/dbraw/zinc/69/68/41/1138696841.db2.gz ILSGIQOBRYMPIA-LBPRGKRZSA-N -1 0 335.473 3.595 20 0 EHADRM COCCCC[C@H](N=c1nc([C@@H](C)OC)[n-]s1)c1ccccc1 ZINC000337945774 1138703773 /nfs/dbraw/zinc/70/37/73/1138703773.db2.gz VVDBSQFUDCPPHK-HIFRSBDPSA-N -1 0 335.473 3.637 20 0 EHADRM CCC[C@@H](NC(=O)N=c1[n-]nc(-c2ccco2)s1)c1ccccc1 ZINC000337965990 1138710874 /nfs/dbraw/zinc/71/08/74/1138710874.db2.gz RRUSWSZBIFUFNG-CYBMUJFWSA-N -1 0 342.424 3.883 20 0 EHADRM Cc1ccc2c(O)c(C(=O)N(C)CCC3CCCCC3)cnc2n1 ZINC000338139789 1138763810 /nfs/dbraw/zinc/76/38/10/1138763810.db2.gz KBWFDNIQMWQOBK-UHFFFAOYSA-N -1 0 327.428 3.686 20 0 EHADRM CC(C)(CC(=O)Nc1ccccc1COCc1ccccc1)C(=O)[O-] ZINC000265226410 1138772403 /nfs/dbraw/zinc/77/24/03/1138772403.db2.gz POTZYSWFEYUMAW-UHFFFAOYSA-N -1 0 341.407 3.843 20 0 EHADRM Cc1n[n-]c(=NC(=O)NC[C@@H](C)c2c(Cl)cccc2Cl)s1 ZINC000338427614 1138908861 /nfs/dbraw/zinc/90/88/61/1138908861.db2.gz WHOJONJWEAFKJF-SSDOTTSWSA-N -1 0 345.255 3.500 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)C[C@H](C)CC(C)C)c1Cl ZINC000777354420 1139814760 /nfs/dbraw/zinc/81/47/60/1139814760.db2.gz MNVJWUDZCIKSTO-LLVKDONJSA-N -1 0 331.865 3.526 20 0 EHADRM C[C@H](Cc1ccccc1Cl)NC(=O)CCc1ccccc1C(=O)[O-] ZINC000777359162 1139836858 /nfs/dbraw/zinc/83/68/58/1139836858.db2.gz XEDWSWAKLWYXKM-CYBMUJFWSA-N -1 0 345.826 3.718 20 0 EHADRM CCCCCC[C@](C)(NC(=O)CCc1nc2ccccc2o1)C(=O)[O-] ZINC000777368513 1139892924 /nfs/dbraw/zinc/89/29/24/1139892924.db2.gz AXELDXJAMMVJCP-IBGZPJMESA-N -1 0 346.427 3.690 20 0 EHADRM CC(C)(C)OCC(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000182447270 1139972765 /nfs/dbraw/zinc/97/27/65/1139972765.db2.gz FGSFYZAAYGLQEJ-UHFFFAOYSA-N -1 0 336.613 3.562 20 0 EHADRM CCC(=O)[C@H]1CCCCN1C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000185828653 1140172406 /nfs/dbraw/zinc/17/24/06/1140172406.db2.gz CAFRCIFWRZBDTI-LLVKDONJSA-N -1 0 330.211 3.673 20 0 EHADRM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000186822660 1140223616 /nfs/dbraw/zinc/22/36/16/1140223616.db2.gz BNUYUIFWNMIJEF-GXFFZTMASA-N -1 0 335.325 3.828 20 0 EHADRM CCN(CC(F)F)C(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000186826195 1140223823 /nfs/dbraw/zinc/22/38/23/1140223823.db2.gz PLZLHGUCEPYFPN-UHFFFAOYSA-N -1 0 342.567 3.535 20 0 EHADRM Cc1csc(CCCCNC(=O)c2cc(F)c([O-])c(Cl)c2)n1 ZINC000187339455 1140250673 /nfs/dbraw/zinc/25/06/73/1140250673.db2.gz FLQSUFWSWDXZEG-UHFFFAOYSA-N -1 0 342.823 3.702 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@@H](C)CCCc2ccccc2)cc1C(=O)[O-] ZINC000190887240 1140423829 /nfs/dbraw/zinc/42/38/29/1140423829.db2.gz QXZCAQIIWBELIN-AWEZNQCLSA-N -1 0 343.423 3.904 20 0 EHADRM Cc1ccc(-c2noc([C@@H]([N-]C(=O)C(F)(F)F)C(C)C)n2)cc1F ZINC000193935177 1140590671 /nfs/dbraw/zinc/59/06/71/1140590671.db2.gz JDXGTZICJZQYAL-NSHDSACASA-N -1 0 345.296 3.560 20 0 EHADRM O=C([O-])C1CCC(C(=O)N2CCC[C@@H]2Cc2ccccc2Cl)CC1 ZINC000194401303 1140607486 /nfs/dbraw/zinc/60/74/86/1140607486.db2.gz KBDWLJSIKDRGTF-ZBCRRDGASA-N -1 0 349.858 3.765 20 0 EHADRM O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1cc(F)c([O-])c(Cl)c1 ZINC000194875566 1140624855 /nfs/dbraw/zinc/62/48/55/1140624855.db2.gz HDEQPPSOPZGNHL-ZENOOKHLSA-N -1 0 331.774 3.500 20 0 EHADRM CC[C@H](C)[C@H]1CCCCN1C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000267485434 1140797270 /nfs/dbraw/zinc/79/72/70/1140797270.db2.gz ZTQDTAUVYWHJON-XHDPSFHLSA-N -1 0 345.468 3.665 20 0 EHADRM COc1ccc(CCCCCC(=O)NCCCCCC(=O)[O-])cc1 ZINC000268981168 1141039809 /nfs/dbraw/zinc/03/98/09/1141039809.db2.gz NKHKYFZRDGGYJR-UHFFFAOYSA-N -1 0 335.444 3.559 20 0 EHADRM CCc1onc(C)c1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C ZINC000270460917 1141226793 /nfs/dbraw/zinc/22/67/93/1141226793.db2.gz WYDCLEQBOILEID-UHFFFAOYSA-N -1 0 348.346 3.673 20 0 EHADRM COc1ccc([C@@H](OC)[C@H](C)NC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000271369343 1141353019 /nfs/dbraw/zinc/35/30/19/1141353019.db2.gz HSIQCNRFACDSNR-GTNSWQLSSA-N -1 0 349.814 3.560 20 0 EHADRM CCOc1c(OC)cc(/C=C\c2nc(C(=O)[O-])c(C)s2)cc1OC ZINC000339115380 1141501741 /nfs/dbraw/zinc/50/17/41/1141501741.db2.gz WLNDYLAYEMGIHY-SREVYHEPSA-N -1 0 349.408 3.736 20 0 EHADRM O=C([O-])c1c(NC(=O)CCCOc2ccccc2)sc2c1CCC2 ZINC000020334671 212120349 /nfs/dbraw/zinc/12/03/49/212120349.db2.gz XCHWWSBVGCIERD-UHFFFAOYSA-N -1 0 345.420 3.733 20 0 EHADRM O=C([O-])c1c(NC(=O)CCOc2ccccc2)sc2c1CCCC2 ZINC000020333428 212120764 /nfs/dbraw/zinc/12/07/64/212120764.db2.gz ITAMWLJDBTYXTO-UHFFFAOYSA-N -1 0 345.420 3.733 20 0 EHADRM CC(C)c1ccccc1NS(=O)(=O)c1cccc(Cl)c1[O-] ZINC000555529207 569966442 /nfs/dbraw/zinc/96/64/42/569966442.db2.gz FSAVFXMZUFKTGT-UHFFFAOYSA-N -1 0 325.817 3.970 20 0 EHADRM CCCn1c(S[C@H](C)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000739377934 597049168 /nfs/dbraw/zinc/04/91/68/597049168.db2.gz JUKJRZPUPDNKKN-SECBINFHSA-N -1 0 325.821 3.574 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)c2sccc2-c2ccccc2)C1 ZINC000390541133 597094861 /nfs/dbraw/zinc/09/48/61/597094861.db2.gz BNXOKFLCHRCBIW-CYBMUJFWSA-N -1 0 329.421 3.742 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)CCc2ccc(-c3ccccc3)[nH]2)cc1 ZINC000531740963 597147223 /nfs/dbraw/zinc/14/72/23/597147223.db2.gz SCWQHQDIEUGTPM-UHFFFAOYSA-N -1 0 348.402 3.629 20 0 EHADRM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737720142 597189670 /nfs/dbraw/zinc/18/96/70/597189670.db2.gz GBYYIWRWYHUIPE-NSHDSACASA-N -1 0 348.349 3.817 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000738623194 597190535 /nfs/dbraw/zinc/19/05/35/597190535.db2.gz CTHPLHSQRORGEM-YPMHNXCESA-N -1 0 344.333 3.556 20 0 EHADRM CCOc1ccc([C@@H](C)NC(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000737887724 597196129 /nfs/dbraw/zinc/19/61/29/597196129.db2.gz RXHJAOHCIDJSCO-CYBMUJFWSA-N -1 0 342.395 3.595 20 0 EHADRM CC(C)N(Cc1ccccc1F)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737640236 597203030 /nfs/dbraw/zinc/20/30/30/597203030.db2.gz KANBYFNBXNJHKL-UHFFFAOYSA-N -1 0 344.386 3.895 20 0 EHADRM O=C([O-])CCCNC(=O)c1sc2cccc(Cl)c2c1Cl ZINC000676211595 597277838 /nfs/dbraw/zinc/27/78/38/597277838.db2.gz VUEMQCKMUALVRB-UHFFFAOYSA-N -1 0 332.208 3.803 20 0 EHADRM O=C([O-])c1ccc(C[S@@](=O)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000819687147 597285010 /nfs/dbraw/zinc/28/50/10/597285010.db2.gz IQVOOZIUELUAJM-HSZRJFAPSA-N -1 0 342.338 3.853 20 0 EHADRM CCN(C(=O)NCc1ccc(C(=O)[O-])cc1)[C@H](C)c1ccc(F)cc1 ZINC000414611625 597300307 /nfs/dbraw/zinc/30/03/07/597300307.db2.gz PCCOFUQADWHJLO-CYBMUJFWSA-N -1 0 344.386 3.817 20 0 EHADRM Cc1cc(C(=O)N2CCCC2)ccc1NCc1ccc(C(=O)[O-])cc1 ZINC000818792176 597300680 /nfs/dbraw/zinc/30/06/80/597300680.db2.gz BODCSGPDWSJGNT-UHFFFAOYSA-N -1 0 338.407 3.541 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NCCCC(=O)[O-] ZINC000263469800 597307003 /nfs/dbraw/zinc/30/70/03/597307003.db2.gz LBTLXPRAPZYGJY-VIFPVBQESA-N -1 0 333.215 3.561 20 0 EHADRM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818071266 597324466 /nfs/dbraw/zinc/32/44/66/597324466.db2.gz MQCZXSVRHDNEDI-NSHDSACASA-N -1 0 348.349 3.817 20 0 EHADRM Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818958916 597328328 /nfs/dbraw/zinc/32/83/28/597328328.db2.gz PYXJGGBAISEUCS-SFHVURJKSA-N -1 0 338.407 3.991 20 0 EHADRM Cc1ccccc1C(C)(C)CNC(=O)Nc1ccccc1CC(=O)[O-] ZINC000818954020 597336834 /nfs/dbraw/zinc/33/68/34/597336834.db2.gz NELOZBSOWNXZNR-UHFFFAOYSA-N -1 0 340.423 3.721 20 0 EHADRM CCN(C(=O)Nc1ccccc1CC(=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC000818190149 597338087 /nfs/dbraw/zinc/33/80/87/597338087.db2.gz DALHLSYREMDSFN-ZDUSSCGKSA-N -1 0 342.395 3.634 20 0 EHADRM CCC[C@H](NC(=O)Nc1ccccc1CC(=O)[O-])c1ccccc1 ZINC000818157033 597341765 /nfs/dbraw/zinc/34/17/65/597341765.db2.gz KKTHIQSXWBVJLV-INIZCTEOSA-N -1 0 326.396 3.977 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1 ZINC000325131376 597513244 /nfs/dbraw/zinc/51/32/44/597513244.db2.gz LGQWIXDCKHSSAT-ZDUSSCGKSA-N -1 0 338.285 3.653 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=S)Nc1ccccc1Oc1ccccc1 ZINC000820009677 598058309 /nfs/dbraw/zinc/05/83/09/598058309.db2.gz XVWHUERTCDTEFS-UHFFFAOYSA-N -1 0 344.436 3.971 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000821475501 598176946 /nfs/dbraw/zinc/17/69/46/598176946.db2.gz WZVHVDUNAIRBFG-SFHVURJKSA-N -1 0 347.374 3.691 20 0 EHADRM O=C([O-])NCCC(=O)Oc1ccccc1-c1nc2ccccc2s1 ZINC000739951477 599709906 /nfs/dbraw/zinc/70/99/06/599709906.db2.gz ZWWXCKWMWANZLJ-UHFFFAOYSA-N -1 0 342.376 3.526 20 0 EHADRM CC(C)[C@@H](NC(=O)CCCNC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000736358612 599712281 /nfs/dbraw/zinc/71/22/81/599712281.db2.gz KTRKZKMZAYCMFE-QGZVFWFLSA-N -1 0 334.460 3.845 20 0 EHADRM O=C([O-])NCCCC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000739957517 599712615 /nfs/dbraw/zinc/71/26/15/599712615.db2.gz UJBSQESOJYLONO-UHFFFAOYSA-N -1 0 325.579 3.633 20 0 EHADRM Cc1ccccc1CN(C(=O)Nc1ccc(CC(=O)[O-])cc1)C1CC1 ZINC000738771624 599712978 /nfs/dbraw/zinc/71/29/78/599712978.db2.gz ROOOFBQERUZYKD-UHFFFAOYSA-N -1 0 338.407 3.819 20 0 EHADRM Cc1cccc(CCNC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000738708236 599713771 /nfs/dbraw/zinc/71/37/71/599713771.db2.gz LFVQEDXHAPOLOC-UHFFFAOYSA-N -1 0 331.347 3.588 20 0 EHADRM O=C([O-])C1(NC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)CCCCC1 ZINC000238052629 599715819 /nfs/dbraw/zinc/71/58/19/599715819.db2.gz RZWIUKLJKRGGHZ-QZTJIDSGSA-N -1 0 337.419 3.847 20 0 EHADRM COc1ccc([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)[O-])cc1 ZINC000737949243 599722728 /nfs/dbraw/zinc/72/27/28/599722728.db2.gz KZLGYWIFSJDUEI-SNVBAGLBSA-N -1 0 333.771 3.789 20 0 EHADRM CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000320402070 599725442 /nfs/dbraw/zinc/72/54/42/599725442.db2.gz VJMLSSBDNDHBCR-UHFFFAOYSA-N -1 0 347.864 3.629 20 0 EHADRM O=C([O-])NCCCC(=O)N(Cc1ccc(Cl)cc1)c1ccccc1 ZINC000739950011 599726378 /nfs/dbraw/zinc/72/63/78/599726378.db2.gz CFYKJVLDDXQAOV-UHFFFAOYSA-N -1 0 346.814 3.921 20 0 EHADRM CCCCCN(C(C)C)S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000320686897 599727041 /nfs/dbraw/zinc/72/70/41/599727041.db2.gz MELYZMABBQKCLD-UHFFFAOYSA-N -1 0 347.864 3.628 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2sccc2OC(F)F)ccc1Cl ZINC000676003190 599730083 /nfs/dbraw/zinc/73/00/83/599730083.db2.gz NSDJLECNPDIQAX-UHFFFAOYSA-N -1 0 347.726 3.953 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)c3ccco3)cc2)sc1C(=O)[O-] ZINC000031947790 599734351 /nfs/dbraw/zinc/73/43/51/599734351.db2.gz WCIINTKHVWUSAO-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N(Cc2ccco2)C2CCCC2)c1 ZINC000740228843 599735859 /nfs/dbraw/zinc/73/58/59/599735859.db2.gz RLDKSZQMTVRRJF-UHFFFAOYSA-N -1 0 328.368 3.955 20 0 EHADRM O=C([O-])c1cccc(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)c1 ZINC000238222314 599744165 /nfs/dbraw/zinc/74/41/65/599744165.db2.gz FVUOZAWVBMVHPR-UHFFFAOYSA-N -1 0 328.755 3.701 20 0 EHADRM CC(C)N(Cc1ccccc1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000302907772 599755772 /nfs/dbraw/zinc/75/57/72/599755772.db2.gz UPBVIIQJOQXHEQ-UHFFFAOYSA-N -1 0 330.359 3.966 20 0 EHADRM CCC(CC)(NC(=O)CCSCC(=O)[O-])c1ccc(Cl)cc1 ZINC000736893179 599756326 /nfs/dbraw/zinc/75/63/26/599756326.db2.gz FKGALPPUSGEYLA-UHFFFAOYSA-N -1 0 343.876 3.679 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(c1nc(-c3cccc(Cl)c3)no1)C2 ZINC000740202840 599763691 /nfs/dbraw/zinc/76/36/91/599763691.db2.gz LFMGPFDYHYDPBI-UHFFFAOYSA-N -1 0 341.754 3.608 20 0 EHADRM CC(C)(C)OCc1cccc(CNC(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000236812253 599768074 /nfs/dbraw/zinc/76/80/74/599768074.db2.gz KWKVUJSGPLSWFZ-UHFFFAOYSA-N -1 0 341.407 3.630 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)C2C3CC4CC(C3)CC2C4)cc1 ZINC000325379372 599768872 /nfs/dbraw/zinc/76/88/72/599768872.db2.gz MWZMRMITUFZQMK-UHFFFAOYSA-N -1 0 327.424 3.715 20 0 EHADRM COc1ccc(CCCC(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000237203464 599772430 /nfs/dbraw/zinc/77/24/30/599772430.db2.gz OZDOYVPGRKDPBD-UHFFFAOYSA-N -1 0 341.407 3.674 20 0 EHADRM CC(C)(C(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccccc1F ZINC000236725729 599772458 /nfs/dbraw/zinc/77/24/58/599772458.db2.gz TVRCASYXNGQTHB-UHFFFAOYSA-N -1 0 329.371 3.759 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCCC[C@H]2Cc2ccc(F)cc2)c1 ZINC000540668108 599773502 /nfs/dbraw/zinc/77/35/02/599773502.db2.gz NLFAMGDIINJCAV-SFHVURJKSA-N -1 0 341.382 3.761 20 0 EHADRM O=C([O-])c1ccc(CNCc2cc(F)ccc2Br)cc1 ZINC000050920578 599779075 /nfs/dbraw/zinc/77/90/75/599779075.db2.gz SJNQBIUMAYIVHL-UHFFFAOYSA-N -1 0 338.176 3.576 20 0 EHADRM CC[C@H](C)c1ccc(C(=O)COC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000736893231 599787804 /nfs/dbraw/zinc/78/78/04/599787804.db2.gz ZUCXZOKHBKAPDK-ZDUSSCGKSA-N -1 0 340.375 3.938 20 0 EHADRM Cc1ccc(-c2nc(COC(=O)c3ccccc3C(=O)[O-])cs2)o1 ZINC000738491436 599788420 /nfs/dbraw/zinc/78/84/20/599788420.db2.gz YJTZVTWYZLVRGC-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM Cc1cc2ccccc2n1CC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000324066144 599794793 /nfs/dbraw/zinc/79/47/93/599794793.db2.gz FMUFTLHXIUAVLW-UHFFFAOYSA-N -1 0 342.420 3.965 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)N[C@@H](CC2CCCCC2)c2ccccc2)C1 ZINC000739592615 599796084 /nfs/dbraw/zinc/79/60/84/599796084.db2.gz HPAYYIRVYGCMES-MSOLQXFVSA-N -1 0 344.455 3.814 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2ccsc2)c2cccnc2)cc1 ZINC000740105577 599799105 /nfs/dbraw/zinc/79/91/05/599799105.db2.gz XOPICOXBGNPIOX-UHFFFAOYSA-N -1 0 338.388 3.688 20 0 EHADRM O=C([O-])c1ccc(C(=O)OCc2nc(Cl)ccc2Cl)s1 ZINC000740120789 599801440 /nfs/dbraw/zinc/80/14/40/599801440.db2.gz MMYIDIUMJMBEJZ-UHFFFAOYSA-N -1 0 332.164 3.505 20 0 EHADRM CCOc1ccc(OCCCC(=O)Nc2ccsc2C(=O)[O-])cc1 ZINC000737203645 599802579 /nfs/dbraw/zinc/80/25/79/599802579.db2.gz PVZBSJCTNQZQFN-UHFFFAOYSA-N -1 0 349.408 3.643 20 0 EHADRM CCCCC[C@@H](NC(=O)N[C@@H]1CCCN(C(=O)[O-])C1)c1ccccc1 ZINC000736984542 599815866 /nfs/dbraw/zinc/81/58/66/599815866.db2.gz MBVXGDZWERUXLU-IAGOWNOFSA-N -1 0 347.459 3.750 20 0 EHADRM Cc1c(NC(=O)N2CC[C@H](c3cccc(F)c3)C2)cccc1C(=O)[O-] ZINC000738305275 599817955 /nfs/dbraw/zinc/81/79/55/599817955.db2.gz YAWRDFADGJQRKH-AWEZNQCLSA-N -1 0 342.370 3.854 20 0 EHADRM O=C([O-])c1occc1COC(=O)c1ccccc1Oc1cccnc1 ZINC000740298210 599818307 /nfs/dbraw/zinc/81/83/07/599818307.db2.gz ZDNVUSSLVUAIEV-UHFFFAOYSA-N -1 0 339.303 3.522 20 0 EHADRM Cc1cccc2c1CCN(C(=O)Nc1cccc(NC(=O)[O-])c1)C2 ZINC000738747474 599819802 /nfs/dbraw/zinc/81/98/02/599819802.db2.gz GVYRZOIRPRZDSK-UHFFFAOYSA-N -1 0 325.368 3.675 20 0 EHADRM Cc1ccc(CN(C)C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)s1 ZINC000738593894 599820140 /nfs/dbraw/zinc/82/01/40/599820140.db2.gz FOZHTPKKBBLKLP-UHFFFAOYSA-N -1 0 337.376 3.949 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)N[C@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000738488499 599823874 /nfs/dbraw/zinc/82/38/74/599823874.db2.gz SMGBVBSTQCEMPE-AWEZNQCLSA-N -1 0 344.436 3.596 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)NCCc2ccccc2Cl)cc1 ZINC000738599301 599825128 /nfs/dbraw/zinc/82/51/28/599825128.db2.gz ROTDAIJXYVXUCC-UHFFFAOYSA-N -1 0 346.814 3.721 20 0 EHADRM CCc1ccc(CNC(=O)Nc2ccc(CCC(=O)[O-])cc2)s1 ZINC000323260230 599825521 /nfs/dbraw/zinc/82/55/21/599825521.db2.gz IGLNNKSGJVXVDR-UHFFFAOYSA-N -1 0 332.425 3.649 20 0 EHADRM Cc1ccc(CN(C)C(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000392527578 599826043 /nfs/dbraw/zinc/82/60/43/599826043.db2.gz ZNGZUCIXXQTUCC-UHFFFAOYSA-N -1 0 326.396 3.676 20 0 EHADRM Cc1ccc([C@@H](NC(=O)CCC(=O)[O-])c2ccc(F)cc2Cl)cc1 ZINC000738261554 599834429 /nfs/dbraw/zinc/83/44/29/599834429.db2.gz NZAHXZGTUVZMNU-GOSISDBHSA-N -1 0 349.789 3.858 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)c1sccc1C1CC1 ZINC000739724269 599835658 /nfs/dbraw/zinc/83/56/58/599835658.db2.gz XIJJFPVFTBJLNA-UHFFFAOYSA-N -1 0 329.421 3.743 20 0 EHADRM O=C([O-])CSCCC(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000739848559 599836641 /nfs/dbraw/zinc/83/66/41/599836641.db2.gz ALDZCJCBBWRFBQ-UHFFFAOYSA-N -1 0 336.457 3.578 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000322087180 599843732 /nfs/dbraw/zinc/84/37/32/599843732.db2.gz GUVWDFITKYMWRA-DTWKUNHWSA-N -1 0 333.281 3.831 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C)c(C)c2)cc1 ZINC000237362255 599849183 /nfs/dbraw/zinc/84/91/83/599849183.db2.gz UORHRYQLEJSDMG-KRWDZBQOSA-N -1 0 343.448 3.971 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(C)ccc2C)cc1 ZINC000237361226 599849258 /nfs/dbraw/zinc/84/92/58/599849258.db2.gz MRPFZQVLFYEGFJ-KRWDZBQOSA-N -1 0 343.448 3.971 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)Cc1[nH]nc2ccccc21 ZINC000238013959 599849250 /nfs/dbraw/zinc/84/92/50/599849250.db2.gz CXNAATVRNSGGQY-UHFFFAOYSA-N -1 0 345.358 3.596 20 0 EHADRM O=C([O-])Nc1ccc(OCc2ccn(-c3cccc(F)c3)n2)cc1 ZINC000738669401 599856021 /nfs/dbraw/zinc/85/60/21/599856021.db2.gz RGXAWTHZZGSDND-UHFFFAOYSA-N -1 0 327.315 3.680 20 0 EHADRM Cc1ccc(CCCCC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000237703727 599860678 /nfs/dbraw/zinc/86/06/78/599860678.db2.gz JJDUAYHNIKDIKO-IBGZPJMESA-N -1 0 339.435 3.520 20 0 EHADRM O=C(/C=C\c1ccccc1)NCc1c2ccccc2sc1C(=O)[O-] ZINC000739215743 599872748 /nfs/dbraw/zinc/87/27/48/599872748.db2.gz LEMLRLZFLFZRPH-KHPPLWFESA-N -1 0 337.400 3.929 20 0 EHADRM O=C(/C=C/c1ccccc1)NCc1c2ccccc2sc1C(=O)[O-] ZINC000739215745 599872855 /nfs/dbraw/zinc/87/28/55/599872855.db2.gz LEMLRLZFLFZRPH-ZHACJKMWSA-N -1 0 337.400 3.929 20 0 EHADRM Cc1ccc(C(=O)NCc2c3ccccc3sc2C(=O)[O-])cc1 ZINC000677296585 599873107 /nfs/dbraw/zinc/87/31/07/599873107.db2.gz TWECWEHGJBJVRX-UHFFFAOYSA-N -1 0 325.389 3.838 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)c1csc(-c2ccoc2)n1 ZINC000740291842 599877017 /nfs/dbraw/zinc/87/70/17/599877017.db2.gz XLDGMKGLIUVPBH-UHFFFAOYSA-N -1 0 347.323 3.597 20 0 EHADRM CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc1cc(C(=O)[O-])co1 ZINC000736343618 599877419 /nfs/dbraw/zinc/87/74/19/599877419.db2.gz GPMRMYIPGBXSBT-UHFFFAOYSA-N -1 0 338.743 3.532 20 0 EHADRM O=C([O-])N1CCC[C@H](NC(=O)Nc2ccccc2-c2cccs2)C1 ZINC000739489911 599890120 /nfs/dbraw/zinc/89/01/20/599890120.db2.gz TYNHPDOUBYWREW-LBPRGKRZSA-N -1 0 345.424 3.679 20 0 EHADRM Cc1ccc(CCCNC(=O)c2cccc(NC(=O)[O-])c2)c(C)c1 ZINC000738589364 599898230 /nfs/dbraw/zinc/89/82/30/599898230.db2.gz NWSPFXTVMJMXTO-UHFFFAOYSA-N -1 0 326.396 3.756 20 0 EHADRM O=C([O-])CCSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 ZINC000738596636 599905623 /nfs/dbraw/zinc/90/56/23/599905623.db2.gz KEHZWRMLCQWAOA-UHFFFAOYSA-N -1 0 343.383 3.640 20 0 EHADRM Cc1cc(F)c2c(c1)CCCN2C(=O)c1cccc(NC(=O)[O-])c1 ZINC000738396919 599906721 /nfs/dbraw/zinc/90/67/21/599906721.db2.gz QCXKMHVDGNGDEZ-UHFFFAOYSA-N -1 0 328.343 3.817 20 0 EHADRM COc1ccccc1CN(C(=O)c1cccc(NC(=O)[O-])c1)C1CC1 ZINC000738134075 599907589 /nfs/dbraw/zinc/90/75/89/599907589.db2.gz XHQBLHOTGGGRFX-UHFFFAOYSA-N -1 0 340.379 3.590 20 0 EHADRM CC(C)[C@@H](CC(=O)Nc1nc(CC(=O)[O-])cs1)c1ccccc1 ZINC000236672907 599908250 /nfs/dbraw/zinc/90/82/50/599908250.db2.gz WAOMIYNGODPDHH-CQSZACIVSA-N -1 0 332.425 3.539 20 0 EHADRM CC(C)[C@@H](CC(=O)N[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000236672004 599910710 /nfs/dbraw/zinc/91/07/10/599910710.db2.gz HTXNRFZSUWXCGE-MJGOQNOKSA-N -1 0 325.408 3.758 20 0 EHADRM Cc1cc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccc1C(=O)[O-] ZINC000237728028 599917285 /nfs/dbraw/zinc/91/72/85/599917285.db2.gz PCLIWBPQHZGBBE-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM Cc1cc(NC(=O)c2cccc(Br)c2)ccc1C(=O)[O-] ZINC000044749861 599917556 /nfs/dbraw/zinc/91/75/56/599917556.db2.gz ZXIOTNKHDHBOAI-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM Cc1cc(NC(=O)COc2ccc3ccccc3c2)ccc1C(=O)[O-] ZINC000237806132 599917564 /nfs/dbraw/zinc/91/75/64/599917564.db2.gz NGIWRAVUAJWHKW-UHFFFAOYSA-N -1 0 335.359 3.864 20 0 EHADRM Cc1cc(NC(=O)CCSc2ccc(F)cc2)ccc1C(=O)[O-] ZINC000237700875 599917885 /nfs/dbraw/zinc/91/78/85/599917885.db2.gz XLJHCPKGEVKCJL-UHFFFAOYSA-N -1 0 333.384 3.953 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)/C=C\c2ccccc2)c1 ZINC000739871464 599923855 /nfs/dbraw/zinc/92/38/55/599923855.db2.gz CZBMEWBFWYOVHO-KTKRTIGZSA-N -1 0 327.405 3.656 20 0 EHADRM COc1cc(Cl)ccc1C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000324341337 599931484 /nfs/dbraw/zinc/93/14/84/599931484.db2.gz DHANCXANMVUTEX-HNNXBMFYSA-N -1 0 347.798 3.685 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)c1cncc2ccccc21)c1ccccc1 ZINC000431441659 599931555 /nfs/dbraw/zinc/93/15/55/599931555.db2.gz BQOFKKYZNWVPNV-GOSISDBHSA-N -1 0 334.375 3.571 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2CCC[C@H]2Cc2ccc(F)cc2)c1 ZINC000740026934 599932942 /nfs/dbraw/zinc/93/29/42/599932942.db2.gz GDLZFHLZOMMIOK-KRWDZBQOSA-N -1 0 342.370 3.763 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)c1ccccc1OC(F)F)c1ccccc1 ZINC000327122896 599936989 /nfs/dbraw/zinc/93/69/89/599936989.db2.gz OVCJOSQCXPGMGW-CQSZACIVSA-N -1 0 349.333 3.624 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)/C=C/c1cccc(F)c1)c1ccccc1 ZINC000193456046 599937924 /nfs/dbraw/zinc/93/79/24/599937924.db2.gz YTKHLWHMNKPVHY-KAMXEHQASA-N -1 0 327.355 3.561 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CCC(c2nccs2)CC1 ZINC000738531567 599942976 /nfs/dbraw/zinc/94/29/76/599942976.db2.gz AOTLDIAGJPHZEK-UHFFFAOYSA-N -1 0 345.424 3.561 20 0 EHADRM O=C([O-])c1sc2ccccc2c1COC(=O)c1cccc(O)c1 ZINC000740291260 599944322 /nfs/dbraw/zinc/94/43/22/599944322.db2.gz UGKPEGVXJVWKIP-UHFFFAOYSA-N -1 0 328.345 3.662 20 0 EHADRM O=C([O-])c1cccc(NC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)c1O ZINC000740228853 599949172 /nfs/dbraw/zinc/94/91/72/599949172.db2.gz RPMASLBJZBXCLR-IAGOWNOFSA-N -1 0 347.370 3.986 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2[nH]c3ccc(F)cc3c2Cl)c1O ZINC000740228034 599950729 /nfs/dbraw/zinc/95/07/29/599950729.db2.gz INWAILVFUPFSCG-UHFFFAOYSA-N -1 0 348.717 3.617 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cccc(OC2CCCC2)c1)c1ccccc1 ZINC000740299711 599953824 /nfs/dbraw/zinc/95/38/24/599953824.db2.gz QNPQPIAOGSINMA-GOSISDBHSA-N -1 0 340.375 3.991 20 0 EHADRM Cc1oc(-c2ccsc2)nc1CC(=O)Nc1ccsc1C(=O)[O-] ZINC000738955476 599969570 /nfs/dbraw/zinc/96/95/70/599969570.db2.gz HFMPIIULTYYCFD-UHFFFAOYSA-N -1 0 348.405 3.652 20 0 EHADRM CC(C)COc1ccccc1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000736449049 599970910 /nfs/dbraw/zinc/97/09/10/599970910.db2.gz XBBGSWGGVLLNBD-UHFFFAOYSA-N -1 0 331.343 3.811 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)CCCc2ccc(C)cc2)c1 ZINC000737934973 600000450 /nfs/dbraw/zinc/00/04/50/600000450.db2.gz LEOGJKCDTHUPMR-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(c1ccc(C(F)(F)F)c(Cl)n1)C2 ZINC000740202497 600005962 /nfs/dbraw/zinc/00/59/62/600005962.db2.gz HZNYLXFFGPTDPN-UHFFFAOYSA-N -1 0 342.704 3.972 20 0 EHADRM COc1ccc(NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])c(C)c1 ZINC000362482263 600008985 /nfs/dbraw/zinc/00/89/85/600008985.db2.gz AWRACZSOPUQTBO-LBPRGKRZSA-N -1 0 345.420 3.821 20 0 EHADRM CC(C)[C@H](NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000736359586 600013560 /nfs/dbraw/zinc/01/35/60/600013560.db2.gz HTJCKRQTZPAPKR-SFHVURJKSA-N -1 0 338.407 3.807 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c(C)s1 ZINC000326097513 600015923 /nfs/dbraw/zinc/01/59/23/600015923.db2.gz CFFGMSZKFRDYHO-LLVKDONJSA-N -1 0 344.436 3.850 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)N2CCC[C@@H]2C2CCC2)c1 ZINC000739873949 600020361 /nfs/dbraw/zinc/02/03/61/600020361.db2.gz UWVAOAJAFUVGSG-MRXNPFEDSA-N -1 0 348.468 3.801 20 0 EHADRM Cc1cccc(C[C@@H](CNC(=O)Nc2ccc(C)c(F)c2)C(=O)[O-])c1 ZINC000738709752 600024754 /nfs/dbraw/zinc/02/47/54/600024754.db2.gz WVODNCGEVTZRTJ-HNNXBMFYSA-N -1 0 344.386 3.508 20 0 EHADRM Cc1ccc(C)c(CSCC(=O)N(C)c2ccccc2C(=O)[O-])c1 ZINC000738575036 600033477 /nfs/dbraw/zinc/03/34/77/600033477.db2.gz WCBSPRNWEDFPJB-UHFFFAOYSA-N -1 0 343.448 3.898 20 0 EHADRM COc1ccccc1C/C(C)=C/C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000237120233 600034218 /nfs/dbraw/zinc/03/42/18/600034218.db2.gz XNBPJKAEABHVHS-OUKQBFOZSA-N -1 0 325.364 3.521 20 0 EHADRM CO[C@](C)(C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccccc1 ZINC000676002285 600036746 /nfs/dbraw/zinc/03/67/46/600036746.db2.gz HKPXFEHKDDGRDY-KRWDZBQOSA-N -1 0 333.771 3.539 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)NC3(C(=O)[O-])CCCC3)c(F)c2)cc1 ZINC000237714133 600036791 /nfs/dbraw/zinc/03/67/91/600036791.db2.gz HQRZYKDGWRNWBJ-UHFFFAOYSA-N -1 0 341.382 3.928 20 0 EHADRM CCCN(Cc1ccccc1F)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000737020504 600037877 /nfs/dbraw/zinc/03/78/77/600037877.db2.gz HOQKZZNDBVRFCS-UHFFFAOYSA-N -1 0 343.398 3.895 20 0 EHADRM CCc1cccc2c(CC(=O)Nc3ccc(C)cc3C(=O)[O-])c[nH]c21 ZINC000542517604 600039547 /nfs/dbraw/zinc/03/95/47/600039547.db2.gz GDGOQSGTFRIFAH-UHFFFAOYSA-N -1 0 336.391 3.918 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)o1 ZINC000327099879 600042778 /nfs/dbraw/zinc/04/27/78/600042778.db2.gz XGXGGXRHVZMOQY-SJKOYZFVSA-N -1 0 339.391 3.576 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000598670259 600043551 /nfs/dbraw/zinc/04/35/51/600043551.db2.gz UXUJGBAXDWLKKS-CYBMUJFWSA-N -1 0 341.432 3.549 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)CCc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000237509647 600044518 /nfs/dbraw/zinc/04/45/18/600044518.db2.gz CLNQQEZQWHAYPE-MRXNPFEDSA-N -1 0 339.435 3.682 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)CCCc1ccc(Cl)cc1)C2 ZINC000621555012 600044815 /nfs/dbraw/zinc/04/48/15/600044815.db2.gz CTYXUIVMZIVVTH-UHFFFAOYSA-N -1 0 343.810 3.903 20 0 EHADRM Cc1cc(O[C@@H](C)C(=O)NC2CCC(C(=O)[O-])CC2)ccc1C(C)C ZINC000262685707 600050085 /nfs/dbraw/zinc/05/00/85/600050085.db2.gz YINIVKYKLRLXKO-FHERZECASA-N -1 0 347.455 3.645 20 0 EHADRM CCN(C(=O)CCC(=O)[O-])[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000737053600 600053556 /nfs/dbraw/zinc/05/35/56/600053556.db2.gz UOBFTSDQMZZBEO-LJQANCHMSA-N -1 0 329.371 3.628 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(F)c(Cl)nc2Cl)s1 ZINC000740149812 600060829 /nfs/dbraw/zinc/06/08/29/600060829.db2.gz AHWXGGXCGQHCQQ-UHFFFAOYSA-N -1 0 335.143 3.540 20 0 EHADRM CC[C@@H](CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])c1ccccc1 ZINC000236919048 600061488 /nfs/dbraw/zinc/06/14/88/600061488.db2.gz AVYVDMGPLBNUQW-HNAYVOBHSA-N -1 0 337.419 3.608 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000738120145 600067995 /nfs/dbraw/zinc/06/79/95/600067995.db2.gz IUPPKWMVLUHAMG-QXMHVHEDSA-N -1 0 325.364 3.744 20 0 EHADRM CC(C)c1sc(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])nc1-c1ccccc1 ZINC000736531297 600071794 /nfs/dbraw/zinc/07/17/94/600071794.db2.gz YKIAYXOWGPSDIL-VXGBXAGGSA-N -1 0 330.409 3.593 20 0 EHADRM CCCc1c(C(=O)N[C@H]2CCc3ccc(C)cc32)[nH]c(C)c1C(=O)[O-] ZINC000737040254 600075480 /nfs/dbraw/zinc/07/54/80/600075480.db2.gz LPPXPJVKOJLUDN-INIZCTEOSA-N -1 0 340.423 3.700 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)N(Cc1ccccc1)CC(C)(C)C ZINC000736412961 600076355 /nfs/dbraw/zinc/07/63/55/600076355.db2.gz ASMGYBWVVFCMMR-MRXNPFEDSA-N -1 0 334.460 3.744 20 0 EHADRM Cc1cccc(C)c1Oc1ccccc1NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000432106860 600076474 /nfs/dbraw/zinc/07/64/74/600076474.db2.gz AICJKHMUIPMOFK-UONOGXRCSA-N -1 0 325.364 3.755 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736622876 600087104 /nfs/dbraw/zinc/08/71/04/600087104.db2.gz WCPRABIGZXAMDS-JTQLQIEISA-N -1 0 334.322 3.872 20 0 EHADRM COc1cc(COC(=O)c2ccccc2NC(=O)[O-])ccc1SC ZINC000737886443 600088434 /nfs/dbraw/zinc/08/84/34/600088434.db2.gz PACMBOOUDPSJNN-UHFFFAOYSA-N -1 0 347.392 3.864 20 0 EHADRM O=C([O-])c1cn(Cc2nc(-c3ccc(F)cc3)no2)c2ccccc12 ZINC000740255486 600106846 /nfs/dbraw/zinc/10/68/46/600106846.db2.gz YCCZMFQGAJHRAU-UHFFFAOYSA-N -1 0 337.310 3.577 20 0 EHADRM O=C([O-])COC(=O)[C@H](Sc1ccccc1Cl)c1ccccc1 ZINC000738614603 600107896 /nfs/dbraw/zinc/10/78/96/600107896.db2.gz ATQHLYTZHVQNNJ-OAHLLOKOSA-N -1 0 336.796 3.801 20 0 EHADRM CC(C)COc1ccc(CC(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC000736446419 600109240 /nfs/dbraw/zinc/10/92/40/600109240.db2.gz RGHUCSDTDAMNEO-CYBMUJFWSA-N -1 0 346.379 3.860 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)c1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000736626930 600111275 /nfs/dbraw/zinc/11/12/75/600111275.db2.gz PRFYHLIUJOGASI-NSHDSACASA-N -1 0 326.327 3.920 20 0 EHADRM O=C([O-])c1ccc(-c2noc(CCCOc3ccccc3F)n2)cc1 ZINC000740101268 600111815 /nfs/dbraw/zinc/11/18/15/600111815.db2.gz DAHJQTHFQXZYBM-UHFFFAOYSA-N -1 0 342.326 3.586 20 0 EHADRM Cc1cccc(OCCC(=O)OCc2ccc(F)cc2C(=O)[O-])c1C ZINC000738734127 600113774 /nfs/dbraw/zinc/11/37/74/600113774.db2.gz HWKPWWIKRNULNA-UHFFFAOYSA-N -1 0 346.354 3.653 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)CCc1cccc(Cl)c1 ZINC000739260484 600114082 /nfs/dbraw/zinc/11/40/82/600114082.db2.gz IRMRKSJKEJHFOP-UHFFFAOYSA-N -1 0 336.746 3.853 20 0 EHADRM CC(C)N(Cc1ccc(F)cc1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000736472478 600120637 /nfs/dbraw/zinc/12/06/37/600120637.db2.gz VAFBOVZKUQEIFA-UHFFFAOYSA-N -1 0 344.386 3.895 20 0 EHADRM CCCc1c(C(=O)N(C)C[C@@H](C)c2ccccc2)[nH]c(C)c1C(=O)[O-] ZINC000737040966 600121519 /nfs/dbraw/zinc/12/15/19/600121519.db2.gz JXUHVKHOLZJWEL-CYBMUJFWSA-N -1 0 342.439 3.850 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)c1cc2c(s1)CCCC2 ZINC000736189472 600122987 /nfs/dbraw/zinc/12/29/87/600122987.db2.gz MMDGKPQOYFLVCN-UHFFFAOYSA-N -1 0 344.388 3.747 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)c1cccc(C(F)F)c1 ZINC000736188740 600124196 /nfs/dbraw/zinc/12/41/96/600124196.db2.gz ICTBTURBCXJTIK-UHFFFAOYSA-N -1 0 334.274 3.744 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C)Oc2cccc(C(C)(C)C)c2)c(C(=O)[O-])[nH]1 ZINC000738418651 600124527 /nfs/dbraw/zinc/12/45/27/600124527.db2.gz QLDNZIMLUCELTJ-GFCCVEGCSA-N -1 0 344.411 3.725 20 0 EHADRM CC[C@@](NC(=O)c1ccc(SC)cc1)(C(=O)[O-])c1ccccc1 ZINC000362338821 600128799 /nfs/dbraw/zinc/12/87/99/600128799.db2.gz GQLVZMXLLVLVIJ-SFHVURJKSA-N -1 0 329.421 3.528 20 0 EHADRM CC[C@](NC(=O)c1ccccc1SC)(C(=O)[O-])c1ccccc1 ZINC000507296888 600129918 /nfs/dbraw/zinc/12/99/18/600129918.db2.gz XIYDHEIFCMBCSW-GOSISDBHSA-N -1 0 329.421 3.528 20 0 EHADRM CC[C@@](NC(=O)CCSc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000485370729 600131541 /nfs/dbraw/zinc/13/15/41/600131541.db2.gz GIQDAISGUJKZJK-IBGZPJMESA-N -1 0 343.448 3.675 20 0 EHADRM CC(C)c1cccc(O[C@H](C(=O)N[C@@H](C)C(=O)[O-])c2ccccc2)c1 ZINC000236801984 600142564 /nfs/dbraw/zinc/14/25/64/600142564.db2.gz IBUDIONEONRDRP-KSSFIOAISA-N -1 0 341.407 3.519 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)Oc1cccc(C(=O)[O-])c1 ZINC000738126438 600143002 /nfs/dbraw/zinc/14/30/02/600143002.db2.gz TXLZSUZZSUCIBL-CYBMUJFWSA-N -1 0 328.364 3.568 20 0 EHADRM O=C([O-])C1(NC(=O)c2sccc2SC(F)F)CCCCCC1 ZINC000739373245 600144574 /nfs/dbraw/zinc/14/45/74/600144574.db2.gz IGDOZJZLYFFLFS-UHFFFAOYSA-N -1 0 349.424 3.970 20 0 EHADRM CC[C@](NC(=O)c1sccc1SC)(C(=O)[O-])c1ccccc1 ZINC000736920305 600148109 /nfs/dbraw/zinc/14/81/09/600148109.db2.gz QWVUMSIKSVIRHJ-MRXNPFEDSA-N -1 0 335.450 3.590 20 0 EHADRM CCC[C@@](C)(NCc1nc(-c2ccc(C(C)C)cc2)no1)C(=O)[O-] ZINC000736959967 600154031 /nfs/dbraw/zinc/15/40/31/600154031.db2.gz SREDDICBUKKMDG-GOSISDBHSA-N -1 0 331.416 3.593 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)C[C@@H](C)c2ccc(F)cc2)C(=O)[O-])cc1 ZINC000486386524 600154166 /nfs/dbraw/zinc/15/41/66/600154166.db2.gz LCQFBFUPHFDTHA-RDTXWAMCSA-N -1 0 343.398 3.612 20 0 EHADRM Cc1ccc([C@H](CNC(=O)Cc2ccc3ccccc3c2)C(=O)[O-])cc1 ZINC000486379741 600159087 /nfs/dbraw/zinc/15/90/87/600159087.db2.gz WFWRCLYAJVYERP-FQEVSTJZSA-N -1 0 347.414 3.675 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(C(F)F)c2)cc1 ZINC000737950999 600161096 /nfs/dbraw/zinc/16/10/96/600161096.db2.gz DCUCUAMERBWEHB-OAHLLOKOSA-N -1 0 349.333 3.579 20 0 EHADRM Cc1cc2nc(Nc3ccc(CCC(=O)[O-])cc3)c3ccccc3n2n1 ZINC000738487250 600162448 /nfs/dbraw/zinc/16/24/48/600162448.db2.gz UKRLFWYUAACRRI-UHFFFAOYSA-N -1 0 346.390 3.952 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)OCc2nc(Cl)ccc2Cl)c1 ZINC000740040253 600163141 /nfs/dbraw/zinc/16/31/41/600163141.db2.gz SRVCDGDGSOBPLU-UHFFFAOYSA-N -1 0 341.150 3.835 20 0 EHADRM Cc1ccc(C(C)C)c(OS(=O)(=O)Cc2cccc(C(=O)[O-])c2)c1 ZINC000738553094 600163332 /nfs/dbraw/zinc/16/33/32/600163332.db2.gz TWWZVUBVJVZUOA-UHFFFAOYSA-N -1 0 348.420 3.725 20 0 EHADRM Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000336876106 600167529 /nfs/dbraw/zinc/16/75/29/600167529.db2.gz ASNQEXWMNUKHMF-UHFFFAOYSA-N -1 0 346.339 3.801 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc(C(F)(F)F)c2)c(F)c1 ZINC000320438997 600167923 /nfs/dbraw/zinc/16/79/23/600167923.db2.gz BZAQKJKLDZBNHV-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM CN(C(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2)C(C)(C)C(=O)[O-] ZINC000737333787 600171816 /nfs/dbraw/zinc/17/18/16/600171816.db2.gz NWIJUJBQRFCTFE-LBPRGKRZSA-N -1 0 337.485 3.834 20 0 EHADRM CSc1cccc(NC(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)c1 ZINC000738213271 600176296 /nfs/dbraw/zinc/17/62/96/600176296.db2.gz AKONQYAXHNEQIU-MRXNPFEDSA-N -1 0 344.436 3.707 20 0 EHADRM Cc1ccc([C@H](CNC(=O)Nc2cc(Cl)ccc2C)C(=O)[O-])cc1 ZINC000738557967 600176552 /nfs/dbraw/zinc/17/65/52/600176552.db2.gz AGDDIMGTWBYNLC-HNNXBMFYSA-N -1 0 346.814 3.947 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)Nc2c(C)cccc2C)C(=O)[O-])cc1 ZINC000738561573 600176643 /nfs/dbraw/zinc/17/66/43/600176643.db2.gz RIUCDVWKGQZTHW-MRXNPFEDSA-N -1 0 326.396 3.602 20 0 EHADRM Cc1cc(C)cc([C@@H](C)NC(=O)Nc2cccc(OCC(=O)[O-])c2)c1 ZINC000738220676 600177332 /nfs/dbraw/zinc/17/73/32/600177332.db2.gz DKOGGHQJIMSEIN-CQSZACIVSA-N -1 0 342.395 3.650 20 0 EHADRM Cc1c(NC(=O)N2CCCc3sccc3C2)cccc1C(=O)[O-] ZINC000738305236 600177581 /nfs/dbraw/zinc/17/75/81/600177581.db2.gz XAQRBPIUQDWQKM-UHFFFAOYSA-N -1 0 330.409 3.735 20 0 EHADRM CCN(C(=O)COc1cccc2ccccc21)c1ccccc1C(=O)[O-] ZINC000737060601 600179290 /nfs/dbraw/zinc/17/92/90/600179290.db2.gz OEUAYRDZQVAZEI-UHFFFAOYSA-N -1 0 349.386 3.970 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)C(C)C ZINC000738785717 600182437 /nfs/dbraw/zinc/18/24/37/600182437.db2.gz KTABVEWOJYFPJD-OAHLLOKOSA-N -1 0 345.374 3.746 20 0 EHADRM C[C@@H](CNC(=O)Nc1cccc(CSCC(=O)[O-])c1)C(C)(C)C ZINC000736598087 600183590 /nfs/dbraw/zinc/18/35/90/600183590.db2.gz HAXJVQRWXOHCNG-LBPRGKRZSA-N -1 0 338.473 3.808 20 0 EHADRM Cc1ccc(F)c(NC(=S)N2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000738604364 600188851 /nfs/dbraw/zinc/18/88/51/600188851.db2.gz QMKCGVLKSOVKPV-GFCCVEGCSA-N -1 0 330.384 3.519 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=S)Nc2ccccc2Cl)c2ccccc21 ZINC000739615546 600189391 /nfs/dbraw/zinc/18/93/91/600189391.db2.gz HTWCKDPMHMNETH-LLVKDONJSA-N -1 0 332.812 3.725 20 0 EHADRM C/C(=C/C(=O)N[C@H](CC(=O)[O-])c1cccs1)c1cccc(F)c1 ZINC000236663937 600192030 /nfs/dbraw/zinc/19/20/30/600192030.db2.gz RSRGNSOGMRJLKE-KOTGUFOOSA-N -1 0 333.384 3.623 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000347352745 600193328 /nfs/dbraw/zinc/19/33/28/600193328.db2.gz ULUHOKZOPCDGEK-ZDUSSCGKSA-N -1 0 345.420 3.517 20 0 EHADRM CC(C)c1ccc(CS(=O)(=O)[C@@H](C)CC(=O)[O-])c(C(C)C)c1 ZINC000736514458 600193501 /nfs/dbraw/zinc/19/35/01/600193501.db2.gz RYCRVVSYEFTMMF-ZDUSSCGKSA-N -1 0 326.458 3.711 20 0 EHADRM C/C(=C\C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1)c1cccc(F)c1 ZINC000736120800 600196018 /nfs/dbraw/zinc/19/60/18/600196018.db2.gz LNGSYWNBUXEXBU-KQPPXVQYSA-N -1 0 345.345 3.700 20 0 EHADRM O=C([O-])c1ccc(NC(=O)/C=C\c2nc3ccccc3s2)c(F)c1 ZINC000492907913 600199350 /nfs/dbraw/zinc/19/93/50/600199350.db2.gz FJRUDYXHGCIKGV-FPLPWBNLSA-N -1 0 342.351 3.786 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)c(F)c1 ZINC000740146958 600200790 /nfs/dbraw/zinc/20/07/90/600200790.db2.gz ZXXYARWOOPGXGB-STQMWFEESA-N -1 0 333.746 3.920 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)CCOc2ccccc2F)c1 ZINC000322588048 600203116 /nfs/dbraw/zinc/20/31/16/600203116.db2.gz JFSKRHJEGUBYQO-UHFFFAOYSA-N -1 0 337.734 3.585 20 0 EHADRM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)C=C(C1CC1)C1CC1 ZINC000268906187 600203741 /nfs/dbraw/zinc/20/37/41/600203741.db2.gz YVMRJQSPWCBLAM-UHFFFAOYSA-N -1 0 349.377 3.515 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)C[C@@H](C)c1ccccc1C ZINC000737862867 600205787 /nfs/dbraw/zinc/20/57/87/600205787.db2.gz AFSLKBKNQLRWLZ-CYBMUJFWSA-N -1 0 328.364 3.801 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccccc1)c1cccc(F)c1 ZINC000237509898 600206051 /nfs/dbraw/zinc/20/60/51/600206051.db2.gz WKDXTFQEZBHPQX-GUYCJALGSA-N -1 0 329.371 3.652 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000738756916 600207904 /nfs/dbraw/zinc/20/79/04/600207904.db2.gz QJLVCNWTRHVEEB-SGTLLEGYSA-N -1 0 347.361 3.709 20 0 EHADRM CCSc1ccccc1C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000737228735 600215755 /nfs/dbraw/zinc/21/57/55/600215755.db2.gz FRBRVHWGRPYVOP-AWEZNQCLSA-N -1 0 327.405 3.627 20 0 EHADRM Cc1ccc([C@H]2CCCN2[C@@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)o1 ZINC000738581915 600218649 /nfs/dbraw/zinc/21/86/49/600218649.db2.gz GSPDQTULBWYKLG-UONOGXRCSA-N -1 0 344.411 3.639 20 0 EHADRM CCCOc1ccccc1NC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000737034846 600227531 /nfs/dbraw/zinc/22/75/31/600227531.db2.gz RVLQWNFRUGSZRN-UHFFFAOYSA-N -1 0 332.331 3.957 20 0 EHADRM Cc1nc2cc(NC(=O)Nc3cccc(NC(=O)[O-])c3)ccc2o1 ZINC000738873806 600229919 /nfs/dbraw/zinc/22/99/19/600229919.db2.gz AXSCUGKKODURAZ-UHFFFAOYSA-N -1 0 326.312 3.870 20 0 EHADRM C[C@]1(c2ccccc2)CCCN(C(=O)NCCCCCCC(=O)[O-])C1 ZINC000736742279 600236196 /nfs/dbraw/zinc/23/61/96/600236196.db2.gz QIRFJUYOFZMXIJ-FQEVSTJZSA-N -1 0 346.471 3.785 20 0 EHADRM CC(C)(C)[C@@H]1CCCN(C(=O)Nc2cccc(OCC(=O)[O-])c2)CC1 ZINC000392715293 600240726 /nfs/dbraw/zinc/24/07/26/600240726.db2.gz ROVAOTVGBWQCCQ-CQSZACIVSA-N -1 0 348.443 3.830 20 0 EHADRM Cc1ccc(-c2noc(Cn3cc(C(=O)[O-])c4ccccc43)n2)cc1 ZINC000738495771 600246415 /nfs/dbraw/zinc/24/64/15/600246415.db2.gz XWSGIWRNFZDGQN-UHFFFAOYSA-N -1 0 333.347 3.746 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)c2cc(-c3ccccc3)ccc2Cl)C1 ZINC000238097492 600248658 /nfs/dbraw/zinc/24/86/58/600248658.db2.gz HVXRMWSNXCUANU-AWEZNQCLSA-N -1 0 329.783 3.554 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1cc2cccc(C)c2o1 ZINC000738090187 600248859 /nfs/dbraw/zinc/24/88/59/600248859.db2.gz QEZLUVPKKWMYPZ-UHFFFAOYSA-N -1 0 326.304 3.667 20 0 EHADRM Cc1ccc(N2CCCC2)c(C(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000738612761 600248852 /nfs/dbraw/zinc/24/88/52/600248852.db2.gz DBJUBFFJZOQBKW-UHFFFAOYSA-N -1 0 338.407 3.854 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1cc(C(C)C)no1 ZINC000262395505 600249509 /nfs/dbraw/zinc/24/95/09/600249509.db2.gz LHJOFHTWPZCJGX-UHFFFAOYSA-N -1 0 332.356 3.536 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)Oc1c(OC)cccc1C(=O)[O-] ZINC000736904695 600250656 /nfs/dbraw/zinc/25/06/56/600250656.db2.gz XSRCZFKHEUKJCY-CQSZACIVSA-N -1 0 328.364 3.568 20 0 EHADRM Cc1ccc2[nH]c(C(=O)Nc3cc(C(=O)[O-])ccc3F)cc2c1C ZINC000237858798 600254511 /nfs/dbraw/zinc/25/45/11/600254511.db2.gz GVXMTYCTGOJCJI-UHFFFAOYSA-N -1 0 326.327 3.874 20 0 EHADRM Cc1ccc2[nH]c(C(=O)NC3(C(=O)[O-])CCCCCC3)cc2c1C ZINC000738665239 600254940 /nfs/dbraw/zinc/25/49/40/600254940.db2.gz ZVVFZBNRBANHOE-UHFFFAOYSA-N -1 0 328.412 3.692 20 0 EHADRM Cc1cc(NC(=O)c2csc(-c3ccccc3C)n2)c(C(=O)[O-])[nH]1 ZINC000738454016 600257004 /nfs/dbraw/zinc/25/70/04/600257004.db2.gz ZGVDGXMBXIILIM-UHFFFAOYSA-N -1 0 341.392 3.706 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc(C(=O)[O-])s1 ZINC000237516996 600258793 /nfs/dbraw/zinc/25/87/93/600258793.db2.gz PAAXBMPNYGVWNR-SNVBAGLBSA-N -1 0 337.828 3.803 20 0 EHADRM Cc1[nH]c(C(=O)NCCCc2ccc(C(C)C)cc2)c(C)c1C(=O)[O-] ZINC000738238199 600259242 /nfs/dbraw/zinc/25/92/42/600259242.db2.gz COBOWCMSIGOYSC-UHFFFAOYSA-N -1 0 342.439 3.816 20 0 EHADRM C/C(=C/C(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1)c1cccc(F)c1 ZINC000736121445 600260097 /nfs/dbraw/zinc/26/00/97/600260097.db2.gz QWSQSGDFVWNXCD-BLSFAOBESA-N -1 0 341.382 3.522 20 0 EHADRM O=C([O-])c1ccc2nc(SCc3cccc4c3OCCO4)oc2c1 ZINC000740212382 600276336 /nfs/dbraw/zinc/27/63/36/600276336.db2.gz JDTVISCDHDJHEJ-UHFFFAOYSA-N -1 0 343.360 3.590 20 0 EHADRM Cc1nc(C(C)(C)NC(=O)Nc2cccc(NC(=O)[O-])c2)sc1C ZINC000738840249 600276430 /nfs/dbraw/zinc/27/64/30/600276430.db2.gz DZEHIAGQEZZVHN-UHFFFAOYSA-N -1 0 348.428 3.907 20 0 EHADRM COC(=O)c1ccc(CSc2nc3ccc(C(=O)[O-])cc3o2)cc1 ZINC000737691883 600276581 /nfs/dbraw/zinc/27/65/81/600276581.db2.gz SSMXZVXUMWQQGK-UHFFFAOYSA-N -1 0 343.360 3.605 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(C(=O)N(C)C(C)(C)C(=O)[O-])cc1F ZINC000262368590 600280744 /nfs/dbraw/zinc/28/07/44/600280744.db2.gz FBORSVBJELLICJ-UHFFFAOYSA-N -1 0 347.361 3.875 20 0 EHADRM Cc1ccc(OCc2noc(CCCC(=O)[O-])n2)c(C(C)(C)C)c1 ZINC000738649182 600281497 /nfs/dbraw/zinc/28/14/97/600281497.db2.gz OJQNANMFUXQGDM-UHFFFAOYSA-N -1 0 332.400 3.662 20 0 EHADRM CN(Cc1ccc(NC(=O)c2cc3ccccc3n2C)cc1)C(=O)[O-] ZINC000737485233 600282661 /nfs/dbraw/zinc/28/26/61/600282661.db2.gz DDAPKGXEVUMWMH-UHFFFAOYSA-N -1 0 337.379 3.540 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000325356782 600284946 /nfs/dbraw/zinc/28/49/46/600284946.db2.gz GNYLTXNBGZJJHJ-SNVBAGLBSA-N -1 0 348.786 3.930 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1 ZINC000739985263 600289193 /nfs/dbraw/zinc/28/91/93/600289193.db2.gz HOYNBHUYGGTSOB-UHFFFAOYSA-N -1 0 337.379 3.507 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N2CCC[C@H]2c2ccncc2)c1 ZINC000740074499 600290485 /nfs/dbraw/zinc/29/04/85/600290485.db2.gz KODXNPSZWQGCIZ-HNNXBMFYSA-N -1 0 345.786 3.802 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc(CNC(=O)[O-])cc2)o1 ZINC000736762466 600290644 /nfs/dbraw/zinc/29/06/44/600290644.db2.gz BCOVTOJFRKIXQU-BLLLJJGKSA-N -1 0 342.395 3.742 20 0 EHADRM CC(C)(CC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccccc1 ZINC000736310478 600293571 /nfs/dbraw/zinc/29/35/71/600293571.db2.gz OGZKDJHTDTVWAD-UHFFFAOYSA-N -1 0 326.396 3.761 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000738840748 600295092 /nfs/dbraw/zinc/29/50/92/600295092.db2.gz HZJREGCEDOTEKG-UHFFFAOYSA-N -1 0 347.440 3.769 20 0 EHADRM C[C@H]1CCc2c(C(=O)Nc3ccc(CNC(=O)[O-])cc3)csc2C1 ZINC000736802797 600296955 /nfs/dbraw/zinc/29/69/55/600296955.db2.gz QPCRTWLWNNRHFC-NSHDSACASA-N -1 0 344.436 3.893 20 0 EHADRM CN(Cc1ccc(NC(=O)c2cc3c(cccc3F)[nH]2)cc1)C(=O)[O-] ZINC000737485498 600305924 /nfs/dbraw/zinc/30/59/24/600305924.db2.gz QMENJLNVBGGKFT-UHFFFAOYSA-N -1 0 341.342 3.669 20 0 EHADRM CS[C@H]1CCC[C@@H](NC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000318881990 600336342 /nfs/dbraw/zinc/33/63/42/600336342.db2.gz MXFJPUDAIFIQRT-KOLCDFICSA-N -1 0 342.848 3.834 20 0 EHADRM CS[C@@H]1CCC[C@H](NC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000318881989 600336438 /nfs/dbraw/zinc/33/64/38/600336438.db2.gz MXFJPUDAIFIQRT-GXSJLCMTSA-N -1 0 342.848 3.834 20 0 EHADRM COc1ccc(Cl)c(NC(=O)Nc2ccc(CNC(=O)[O-])cc2)c1 ZINC000738014878 600338755 /nfs/dbraw/zinc/33/87/55/600338755.db2.gz ANZNTJVNQDYSSW-UHFFFAOYSA-N -1 0 349.774 3.760 20 0 EHADRM C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)[C@H](C)C1 ZINC000736768462 600341392 /nfs/dbraw/zinc/34/13/92/600341392.db2.gz JUNOLJJNISGFPS-XJKCOSOUSA-N -1 0 333.432 3.743 20 0 EHADRM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736395948 600348096 /nfs/dbraw/zinc/34/80/96/600348096.db2.gz SHGHIYDYFYYFDI-HOTGVXAUSA-N -1 0 333.432 3.791 20 0 EHADRM CCN(CCc1ccccc1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737102385 600350450 /nfs/dbraw/zinc/35/04/50/600350450.db2.gz ZILZFFCOVMAFLB-UHFFFAOYSA-N -1 0 341.411 3.551 20 0 EHADRM CC(C)(C)c1ccc(CSCc2noc(CCC(=O)[O-])n2)cc1 ZINC000736297566 600350566 /nfs/dbraw/zinc/35/05/66/600350566.db2.gz IRQBXOLLACBGAV-UHFFFAOYSA-N -1 0 334.441 3.818 20 0 EHADRM C[C@@H](SCc1noc(CCC(=O)[O-])n1)c1ccc(F)c(Cl)c1 ZINC000736709414 600351565 /nfs/dbraw/zinc/35/15/65/600351565.db2.gz QCVSBBUQDBOACZ-MRVPVSSYSA-N -1 0 344.795 3.874 20 0 EHADRM CCc1nc([C@H](C)NCc2cc(C)c(OCC(=O)[O-])c(C)c2)cs1 ZINC000737277152 600353673 /nfs/dbraw/zinc/35/36/73/600353673.db2.gz PXFHQDBPZMVUKH-ZDUSSCGKSA-N -1 0 348.468 3.637 20 0 EHADRM CN(Cc1cccc(Cl)c1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737485973 600354457 /nfs/dbraw/zinc/35/44/57/600354457.db2.gz ACTAWYIQSUKQTP-UHFFFAOYSA-N -1 0 347.802 3.772 20 0 EHADRM CN(Cc1ccc(Cl)cc1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737472078 600356425 /nfs/dbraw/zinc/35/64/25/600356425.db2.gz LOXQRLSBGMVPPC-UHFFFAOYSA-N -1 0 347.802 3.772 20 0 EHADRM C[C@@H](c1cccs1)N(C)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736723013 600356427 /nfs/dbraw/zinc/35/64/27/600356427.db2.gz AKACIUBNWBZYJZ-NSHDSACASA-N -1 0 333.413 3.741 20 0 EHADRM C[C@H](CCc1ccccc1)NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736560619 600356618 /nfs/dbraw/zinc/35/66/18/600356618.db2.gz HFXUZUHAJUXNRE-CQSZACIVSA-N -1 0 341.411 3.597 20 0 EHADRM O=C([O-])c1sc(Nc2ccc(N3CCCCC3)nc2)nc1Cl ZINC000740278144 600362265 /nfs/dbraw/zinc/36/22/65/600362265.db2.gz FXVSMTTYTFNKAQ-UHFFFAOYSA-N -1 0 338.820 3.624 20 0 EHADRM Cc1cc(NCCc2ccc(NC(=O)[O-])cc2)nc(-c2ccccn2)n1 ZINC000738462699 600363420 /nfs/dbraw/zinc/36/34/20/600363420.db2.gz SNVPKYNPBCECNP-UHFFFAOYSA-N -1 0 349.394 3.592 20 0 EHADRM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2cc(C)c(C(=O)[O-])s2)c1 ZINC000738097580 600368479 /nfs/dbraw/zinc/36/84/79/600368479.db2.gz UWOGLCYVZCJUDF-STQMWFEESA-N -1 0 331.393 3.506 20 0 EHADRM Cc1cc(NC(=O)CCOc2ccc(C)cc2C)sc1C(=O)[O-] ZINC000320065372 600369465 /nfs/dbraw/zinc/36/94/65/600369465.db2.gz TXOLKYLQTBUSEX-UHFFFAOYSA-N -1 0 333.409 3.779 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)[C@H](C)CSc1ccccc1 ZINC000738963120 600371572 /nfs/dbraw/zinc/37/15/72/600371572.db2.gz HXTRSIMLOZQIBH-LLVKDONJSA-N -1 0 334.393 3.758 20 0 EHADRM CC(C)(C)CCC(=O)Oc1ccc(C(=O)[O-])cc1Br ZINC000736250028 600374218 /nfs/dbraw/zinc/37/42/18/600374218.db2.gz BLWQSQXJGDPIBU-UHFFFAOYSA-N -1 0 329.190 3.879 20 0 EHADRM Cc1oc(-c2ccccc2F)nc1C(=O)Nc1sccc1C(=O)[O-] ZINC000738956222 600376359 /nfs/dbraw/zinc/37/63/59/600376359.db2.gz OMPBMYTVBHKQHA-UHFFFAOYSA-N -1 0 346.339 3.801 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H](C)c2cccs2)cc1 ZINC000237359868 600377802 /nfs/dbraw/zinc/37/78/02/600377802.db2.gz WGGBYYHZOARMGZ-RISCZKNCSA-N -1 0 349.477 3.906 20 0 EHADRM CC[C@@](NC(=O)CC/C=C\c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000485381374 600378865 /nfs/dbraw/zinc/37/88/65/600378865.db2.gz JONKECBKEGINQF-DXAOBPHNSA-N -1 0 337.419 3.986 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)c1cccs1 ZINC000736213746 600379139 /nfs/dbraw/zinc/37/91/39/600379139.db2.gz BKSHQEFVDNLFSB-MRVPVSSYSA-N -1 0 341.335 3.790 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000236749417 600379401 /nfs/dbraw/zinc/37/94/01/600379401.db2.gz AHGZLCFNKNPBAV-GFCCVEGCSA-N -1 0 345.361 3.596 20 0 EHADRM C[C@H](CC(=O)N[C@@](C)(C(=O)[O-])C1CC1)c1cccc(C(F)(F)F)c1 ZINC000237410952 600379735 /nfs/dbraw/zinc/37/97/35/600379735.db2.gz NWKWALWDAUYPSS-QLJPJBMISA-N -1 0 343.345 3.569 20 0 EHADRM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NC(C)(C)CCC(=O)[O-] ZINC000237523212 600381106 /nfs/dbraw/zinc/38/11/06/600381106.db2.gz HIISFHVHHXUXCH-SECBINFHSA-N -1 0 348.226 3.520 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)c(C)c1 ZINC000738588983 600382427 /nfs/dbraw/zinc/38/24/27/600382427.db2.gz IUWZYBLFLDBJEE-CYBMUJFWSA-N -1 0 344.386 3.893 20 0 EHADRM C[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000736717659 600382979 /nfs/dbraw/zinc/38/29/79/600382979.db2.gz PANVAIGDVWYWAG-SNVBAGLBSA-N -1 0 334.322 3.888 20 0 EHADRM CC(C)c1ccc(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000324595606 600383772 /nfs/dbraw/zinc/38/37/72/600383772.db2.gz GQJKNIVMBDOCRQ-UHFFFAOYSA-N -1 0 330.359 3.969 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1ccc2ncsc2c1)c1ccccc1 ZINC000736850285 600384610 /nfs/dbraw/zinc/38/46/10/600384610.db2.gz GHTCNOICLCFYNQ-HNNXBMFYSA-N -1 0 340.404 3.806 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CC[C@@H](c3cccc(F)c3)C2)ccc1F ZINC000740080092 600386886 /nfs/dbraw/zinc/38/68/86/600386886.db2.gz BXJXZCGTGKOUEQ-GFCCVEGCSA-N -1 0 346.333 3.684 20 0 EHADRM O=C([O-])CSCCC(=O)Nc1cccc(Nc2ccccc2)c1 ZINC000739851815 600388526 /nfs/dbraw/zinc/38/85/26/600388526.db2.gz GKHPSSHXVLRPIT-UHFFFAOYSA-N -1 0 330.409 3.577 20 0 EHADRM O=C([O-])CCCOc1ccc(CNC(=O)/C=C/C2CCCCC2)cc1 ZINC000237992645 600389071 /nfs/dbraw/zinc/38/90/71/600389071.db2.gz PLZDPZZBNBDTHC-JLHYYAGUSA-N -1 0 345.439 3.683 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1ccc(C)nc1Cl)c1ccccc1 ZINC000736851008 600389472 /nfs/dbraw/zinc/38/94/72/600389472.db2.gz CORBPCNLFFAFSR-CQSZACIVSA-N -1 0 332.787 3.553 20 0 EHADRM Cc1cccc2c1CC[C@@H]2NC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000738747014 600390442 /nfs/dbraw/zinc/39/04/42/600390442.db2.gz CTCDJUFIPNGJFQ-INIZCTEOSA-N -1 0 328.343 3.641 20 0 EHADRM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)CCCN(C)C(=O)[O-])cc1 ZINC000738584160 600391404 /nfs/dbraw/zinc/39/14/04/600391404.db2.gz UMUWBZXNFFMWHF-YJBOKZPZSA-N -1 0 332.444 3.685 20 0 EHADRM CC(C)SCC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000538505543 600392608 /nfs/dbraw/zinc/39/26/08/600392608.db2.gz AHWQTAPPYPHWOY-HNNXBMFYSA-N -1 0 337.485 3.758 20 0 EHADRM Cc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)c(C)[nH]1 ZINC000678980196 600393532 /nfs/dbraw/zinc/39/35/32/600393532.db2.gz CGOKSLKFSJJLAU-QGZVFWFLSA-N -1 0 342.439 3.875 20 0 EHADRM CC[C@@H](C)CN(C)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000736879968 600394427 /nfs/dbraw/zinc/39/44/27/600394427.db2.gz JPBYCOSDUGTPFL-CYBMUJFWSA-N -1 0 338.473 3.904 20 0 EHADRM CC(C)c1ccc(CNC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000324821006 600396957 /nfs/dbraw/zinc/39/69/57/600396957.db2.gz WGHCQRYAYOLLFP-UHFFFAOYSA-N -1 0 330.359 3.969 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000236913069 600397691 /nfs/dbraw/zinc/39/76/91/600397691.db2.gz YGYDLUUIQXXJFY-LLVKDONJSA-N -1 0 331.334 3.522 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)Cc2csc(-c3ccoc3)n2)cc1 ZINC000738671060 600398469 /nfs/dbraw/zinc/39/84/69/600398469.db2.gz ZFACQIFUBZEYJY-UHFFFAOYSA-N -1 0 344.348 3.641 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCc2ccc3ccccc3c2)c(F)c1 ZINC000739449755 600399604 /nfs/dbraw/zinc/39/96/04/600399604.db2.gz UZCYOIWTTJIUTK-UHFFFAOYSA-N -1 0 338.338 3.999 20 0 EHADRM Cc1ccccc1C1(CNC(=O)Nc2ccc(C(=O)[O-])cc2F)CC1 ZINC000738761720 600400239 /nfs/dbraw/zinc/40/02/39/600400239.db2.gz SEUBNLGEGKZCSA-UHFFFAOYSA-N -1 0 342.370 3.686 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)Oc2cccc(C(=O)[O-])c2)s1 ZINC000738239757 600403720 /nfs/dbraw/zinc/40/37/20/600403720.db2.gz LVTGRCHJPHINLM-UHFFFAOYSA-N -1 0 328.292 3.575 20 0 EHADRM O=C([O-])[C@@H](c1ccccc1)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000565898355 600405714 /nfs/dbraw/zinc/40/57/14/600405714.db2.gz QFJQTPJOTZHBIE-DLBZAZTESA-N -1 0 331.799 3.539 20 0 EHADRM C[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736787255 600408245 /nfs/dbraw/zinc/40/82/45/600408245.db2.gz YIZPARWZZFOFKA-GXSJLCMTSA-N -1 0 342.342 3.686 20 0 EHADRM CC(C)(C)/C=C\C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000736252370 600408935 /nfs/dbraw/zinc/40/89/35/600408935.db2.gz XKQKYUWSCZAWBT-SREVYHEPSA-N -1 0 345.317 3.867 20 0 EHADRM Cc1cc(C(=O)[O-])c2sc(NC(=O)[C@H](C)CC3CCCC3)nc2n1 ZINC000738341466 600410533 /nfs/dbraw/zinc/41/05/33/600410533.db2.gz FBJVSALSTABCGF-SECBINFHSA-N -1 0 347.440 3.853 20 0 EHADRM CCc1[nH]c(C(=O)N2CCC[C@]3(CC=CCC3)C2)c(C)c1C(=O)[O-] ZINC000737241102 600424263 /nfs/dbraw/zinc/42/42/63/600424263.db2.gz JLSKQTMQYJIKHH-LJQANCHMSA-N -1 0 330.428 3.546 20 0 EHADRM CCCc1c(C(=O)NCC(C)(C)c2cccs2)[nH]c(C)c1C(=O)[O-] ZINC000737041682 600424550 /nfs/dbraw/zinc/42/45/50/600424550.db2.gz SIJBBGWREPCFJH-UHFFFAOYSA-N -1 0 348.468 3.743 20 0 EHADRM COC(=O)[C@@H](Nc1cccc(NC(=O)[O-])c1)c1cccc(Cl)c1 ZINC000737577884 600425587 /nfs/dbraw/zinc/42/55/87/600425587.db2.gz LPVHTAVCAGSISG-AWEZNQCLSA-N -1 0 334.759 3.756 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)Cc1ccccc1 ZINC000236628890 600425898 /nfs/dbraw/zinc/42/58/98/600425898.db2.gz AMXUWRSXCOHABH-AWEZNQCLSA-N -1 0 341.407 3.989 20 0 EHADRM O=C([O-])[C@H](Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(F)cc1 ZINC000739511255 600426179 /nfs/dbraw/zinc/42/61/79/600426179.db2.gz GEDHUDOKNLHROH-ZWKOTPCHSA-N -1 0 345.370 3.621 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)[C@H](C)Cc1ccccc1 ZINC000737872356 600426919 /nfs/dbraw/zinc/42/69/19/600426919.db2.gz OTFSRXDFXVZNBP-RBJHHQRMSA-N -1 0 340.375 3.577 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)c1 ZINC000740241979 600427374 /nfs/dbraw/zinc/42/73/74/600427374.db2.gz POXLHBBQRFKRJQ-DLBZAZTESA-N -1 0 332.359 3.675 20 0 EHADRM Cc1ccc(C)c(OCCCCC(=O)Nc2cc(C(=O)[O-])ccn2)c1 ZINC000738577605 600427971 /nfs/dbraw/zinc/42/79/71/600427971.db2.gz ZRAPLNBBBUPCQX-UHFFFAOYSA-N -1 0 342.395 3.584 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)c2cc3c(ccc4ccccc34)[nH]2)c1 ZINC000740244165 600429261 /nfs/dbraw/zinc/42/92/61/600429261.db2.gz HEULYHLVGGCDPP-UHFFFAOYSA-N -1 0 331.331 3.667 20 0 EHADRM C[C@@H](OC(=O)C[C@@H]1CCc2ccccc2C1)c1ccc(C(=O)[O-])o1 ZINC000736686577 600436103 /nfs/dbraw/zinc/43/61/03/600436103.db2.gz UXXCLXGCZPCEJP-CHWSQXEVSA-N -1 0 328.364 3.777 20 0 EHADRM CCS[C@H]1CCCCN(C(=O)Nc2cccc(C(=O)[O-])c2C)C1 ZINC000737228960 600436742 /nfs/dbraw/zinc/43/67/42/600436742.db2.gz IGUUMWQMJIVNQU-ZDUSSCGKSA-N -1 0 336.457 3.833 20 0 EHADRM Cc1ccc(N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1OC(F)F ZINC000738629112 600439193 /nfs/dbraw/zinc/43/91/93/600439193.db2.gz ZEXXYKAWYHSKOT-AWEZNQCLSA-N -1 0 325.286 3.973 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC000237027325 600447337 /nfs/dbraw/zinc/44/73/37/600447337.db2.gz SKVBDZSMVJWWNP-UHFFFAOYSA-N -1 0 349.333 3.694 20 0 EHADRM Cc1ccc(CCC(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)c(C)c1 ZINC000738589790 600449319 /nfs/dbraw/zinc/44/93/19/600449319.db2.gz WQBDAHLRQJQDKW-GOSISDBHSA-N -1 0 330.355 3.744 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)COC2CCCC2)s1 ZINC000736294768 600450581 /nfs/dbraw/zinc/45/05/81/600450581.db2.gz QTRFHPWNTDDXTF-UHFFFAOYSA-N -1 0 325.430 3.642 20 0 EHADRM O=C([O-])[C@@H](OC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(F)cc1 ZINC000740290919 600452433 /nfs/dbraw/zinc/45/24/33/600452433.db2.gz WVOOQRIIIWDIKT-MDZLAQPJSA-N -1 0 348.292 3.863 20 0 EHADRM O=C([O-])[C@@H](OC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(F)cc1 ZINC000740290924 600452489 /nfs/dbraw/zinc/45/24/89/600452489.db2.gz WVOOQRIIIWDIKT-WZRBSPASSA-N -1 0 348.292 3.863 20 0 EHADRM Cc1cccc2cc(C(=O)O[C@@H](C(=O)[O-])c3ccc(F)cc3)oc21 ZINC000738749648 600453863 /nfs/dbraw/zinc/45/38/63/600453863.db2.gz JHEBNMHGEIKGAZ-MRXNPFEDSA-N -1 0 328.295 3.863 20 0 EHADRM C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000736836741 600454792 /nfs/dbraw/zinc/45/47/92/600454792.db2.gz KBMIOAVLWCRGJD-NSHDSACASA-N -1 0 328.343 3.675 20 0 EHADRM Cc1cccc2[nH]cc(CC(=O)O[C@@H](C(=O)[O-])c3ccc(F)cc3)c21 ZINC000738746606 600455879 /nfs/dbraw/zinc/45/58/79/600455879.db2.gz IEVLDFPYLMAFET-GOSISDBHSA-N -1 0 341.338 3.527 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736616809 600456322 /nfs/dbraw/zinc/45/63/22/600456322.db2.gz AYGUJOVCYAWUBN-WBMJQRKESA-N -1 0 348.395 3.923 20 0 EHADRM C[C@H](CC(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(F)cc1 ZINC000736556970 600456354 /nfs/dbraw/zinc/45/63/54/600456354.db2.gz OWTZUIDMAOWDRI-PIGZYNQJSA-N -1 0 334.318 3.828 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cc2cc(F)ccc2o1)c1ccc(F)cc1 ZINC000740288455 600457892 /nfs/dbraw/zinc/45/78/92/600457892.db2.gz AJBPSCDMXSDKPE-OAHLLOKOSA-N -1 0 332.258 3.694 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CCNC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736783918 600460125 /nfs/dbraw/zinc/46/01/25/600460125.db2.gz ZZJGFVIDHJOGMM-GDBMZVCRSA-N -1 0 347.459 3.835 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)C=C1CCC(C)CC1)C(=O)[O-] ZINC000236654986 600467936 /nfs/dbraw/zinc/46/79/36/600467936.db2.gz GMNRRNYDIKBVQE-OEMAIJDKSA-N -1 0 329.440 3.872 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000263476044 600472110 /nfs/dbraw/zinc/47/21/10/600472110.db2.gz JHNYNIVXZNSIJL-LBPRGKRZSA-N -1 0 338.835 3.793 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)C2c3ccccc3Oc3ccccc32)o1 ZINC000431505760 600476974 /nfs/dbraw/zinc/47/69/74/600476974.db2.gz KSRXGBCVYKNWRC-UHFFFAOYSA-N -1 0 349.342 3.532 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2cc3c(cccc3Cl)s2)o1 ZINC000740130671 600478851 /nfs/dbraw/zinc/47/88/51/600478851.db2.gz GXVCOJDNDRABGI-UHFFFAOYSA-N -1 0 335.768 3.776 20 0 EHADRM C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000736837970 600479038 /nfs/dbraw/zinc/47/90/38/600479038.db2.gz QAPWNQHQGIBMJA-LBPRGKRZSA-N -1 0 342.370 3.604 20 0 EHADRM C[C@@H]1CCC[C@@H](OCC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000237590265 600479099 /nfs/dbraw/zinc/47/90/99/600479099.db2.gz IZKVZEKFDRCLRS-ZYHUDNBSSA-N -1 0 325.792 3.572 20 0 EHADRM C[C@H]1CCC[C@@H](OCC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000237527938 600479231 /nfs/dbraw/zinc/47/92/31/600479231.db2.gz IZKVZEKFDRCLRS-CMPLNLGQSA-N -1 0 325.792 3.572 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000263486928 600481567 /nfs/dbraw/zinc/48/15/67/600481567.db2.gz MYFLEBHFACJCIB-SNVBAGLBSA-N -1 0 342.848 3.781 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])cc2F)s1 ZINC000321883656 600481766 /nfs/dbraw/zinc/48/17/66/600481766.db2.gz QOOYLCZCJFIEKT-SECBINFHSA-N -1 0 336.388 3.647 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cccc(Nc2ccccc2)c1)c1ccccc1 ZINC000428059918 600484041 /nfs/dbraw/zinc/48/40/41/600484041.db2.gz CLFDKVQMXNACTE-LJQANCHMSA-N -1 0 346.386 3.986 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CNc2cccc(Cl)c2)cc1Cl ZINC000739308173 600487583 /nfs/dbraw/zinc/48/75/83/600487583.db2.gz HKFFPBWJAIGXBQ-UHFFFAOYSA-N -1 0 339.178 3.742 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000263087015 600490159 /nfs/dbraw/zinc/49/01/59/600490159.db2.gz VEORMMZAOIKROW-NVXWUHKLSA-N -1 0 348.418 3.563 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NCC(C)(C)c1cccc(F)c1 ZINC000738534659 600502396 /nfs/dbraw/zinc/50/23/96/600502396.db2.gz ZIILWFRUDWCGFW-UHFFFAOYSA-N -1 0 344.386 3.932 20 0 EHADRM C[C@H]1CCc2c(sc3ncnc(NCc4ccc(C(=O)[O-])o4)c32)C1 ZINC000736800183 600503145 /nfs/dbraw/zinc/50/31/45/600503145.db2.gz CEACNRMHOKFLTN-VIFPVBQESA-N -1 0 343.408 3.719 20 0 EHADRM COc1ccccc1[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000738119981 600506778 /nfs/dbraw/zinc/50/67/78/600506778.db2.gz KHXAGHIQTGXCGT-JTQLQIEISA-N -1 0 348.786 3.930 20 0 EHADRM COc1ccccc1[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000738119982 600506861 /nfs/dbraw/zinc/50/68/61/600506861.db2.gz KHXAGHIQTGXCGT-SNVBAGLBSA-N -1 0 348.786 3.930 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)CC/C=C\c1ccccc1 ZINC000736186663 600510463 /nfs/dbraw/zinc/51/04/63/600510463.db2.gz NUTSIELTRSAKPD-UITAMQMPSA-N -1 0 338.359 3.986 20 0 EHADRM Cc1sc(NC(=O)N(Cc2ccccn2)C(C)C)c(C(=O)[O-])c1C ZINC000324766363 600512150 /nfs/dbraw/zinc/51/21/50/600512150.db2.gz BOFJEDPRXKNDJH-UHFFFAOYSA-N -1 0 347.440 3.901 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCc2ccc(F)c(F)c2)cc1Cl ZINC000390895870 600513529 /nfs/dbraw/zinc/51/35/29/600513529.db2.gz DEGQMTQSZPVGIW-UHFFFAOYSA-N -1 0 340.713 3.638 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)Oc1ccccc1 ZINC000736598074 600515110 /nfs/dbraw/zinc/51/51/10/600515110.db2.gz GKKXTZNKPJBJMI-LLVKDONJSA-N -1 0 348.786 3.627 20 0 EHADRM Cc1cccc([C@@H](C)C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)c1 ZINC000738694213 600521626 /nfs/dbraw/zinc/52/16/26/600521626.db2.gz YMQRUHHTIFHDTD-LLVKDONJSA-N -1 0 329.421 3.986 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000736357876 600527110 /nfs/dbraw/zinc/52/71/10/600527110.db2.gz CXZBCWIENDRYMN-ZWKOTPCHSA-N -1 0 337.419 3.716 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC000675985210 600528565 /nfs/dbraw/zinc/52/85/65/600528565.db2.gz CWCYTXXKKBUKSY-AWEZNQCLSA-N -1 0 335.400 3.783 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)/C=C/c1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000736241108 600531157 /nfs/dbraw/zinc/53/11/57/600531157.db2.gz FQRAIOIYSFTERA-DXRVJIQQSA-N -1 0 345.439 3.637 20 0 EHADRM CC(C)(Oc1cccc(Cl)c1)C(=O)Oc1cccc(C(=O)[O-])c1 ZINC000736343360 600533038 /nfs/dbraw/zinc/53/30/38/600533038.db2.gz BDXFAQOFBQNMOV-UHFFFAOYSA-N -1 0 334.755 3.801 20 0 EHADRM Cc1ccccc1C[C@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000738325547 600541229 /nfs/dbraw/zinc/54/12/29/600541229.db2.gz RRVVHVSOYKKRGC-GOSISDBHSA-N -1 0 338.407 3.932 20 0 EHADRM CC(C)(Oc1cccc(Cl)c1)C(=O)OCc1cccc(C(=O)[O-])c1 ZINC000736344045 600544900 /nfs/dbraw/zinc/54/49/00/600544900.db2.gz RQTZDXTXXJQNOR-UHFFFAOYSA-N -1 0 348.782 3.939 20 0 EHADRM CC(C)c1nc2cc(NC(=O)NCc3ccc(C(=O)[O-])o3)ccc2o1 ZINC000736525546 600545715 /nfs/dbraw/zinc/54/57/15/600545715.db2.gz XFHGCEXYOFPYDV-UHFFFAOYSA-N -1 0 343.339 3.564 20 0 EHADRM O=C([O-])CCNC(=O)Nc1ccccc1-c1nc2ccccc2s1 ZINC000739733670 600548152 /nfs/dbraw/zinc/54/81/52/600548152.db2.gz NVYLAOARUMCGID-UHFFFAOYSA-N -1 0 341.392 3.560 20 0 EHADRM CCN(C(=O)Nc1ccc(C(=O)[O-])cc1)[C@H](C)c1cccc(O)c1 ZINC000737059443 600548417 /nfs/dbraw/zinc/54/84/17/600548417.db2.gz DQAWWYQEVPHUOZ-GFCCVEGCSA-N -1 0 328.368 3.705 20 0 EHADRM CCC[C@H](C)C(=O)N(Cc1ccoc1C(=O)[O-])[C@H](C)c1ccccn1 ZINC000736960080 600555381 /nfs/dbraw/zinc/55/53/81/600555381.db2.gz VFQGLRMHFJPHDF-UONOGXRCSA-N -1 0 344.411 3.899 20 0 EHADRM C[C@@H](NC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(C(C)(C)C)cc1 ZINC000263059186 600561631 /nfs/dbraw/zinc/56/16/31/600561631.db2.gz RUTPHNFFMALPQL-CYBMUJFWSA-N -1 0 332.444 3.551 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)[C@H](C)Sc1ccccc1Cl ZINC000236750651 600563503 /nfs/dbraw/zinc/56/35/03/600563503.db2.gz TXMKKSUHYDKPEE-NSHDSACASA-N -1 0 329.849 3.532 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Nc2ccc(OCC3CC3)cc2)cc1 ZINC000485747419 600564034 /nfs/dbraw/zinc/56/40/34/600564034.db2.gz GPCYCYYSLXNMMX-UHFFFAOYSA-N -1 0 339.391 3.745 20 0 EHADRM CN(C(=O)CCC1CC1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000737317298 600572160 /nfs/dbraw/zinc/57/21/60/600572160.db2.gz GQOMUOWINAHKNY-AWEZNQCLSA-N -1 0 330.211 3.768 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)O[C@H](CC(C)C)C(=O)[O-] ZINC000738195458 600573167 /nfs/dbraw/zinc/57/31/67/600573167.db2.gz RRINMPANQLBTAZ-CQSZACIVSA-N -1 0 336.409 3.952 20 0 EHADRM CCc1cccc2c1OCC[C@@H]2NC(=O)c1ccccc1NC(=O)[O-] ZINC000737272650 600576587 /nfs/dbraw/zinc/57/65/87/600576587.db2.gz PHNNRBODKYHPMZ-INIZCTEOSA-N -1 0 340.379 3.593 20 0 EHADRM O=C([O-])COc1cccc(CNC(=O)CCCC2CCCCC2)c1 ZINC000237969727 600578181 /nfs/dbraw/zinc/57/81/81/600578181.db2.gz BZBROVHLSDKNLG-UHFFFAOYSA-N -1 0 333.428 3.517 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cc(-c3ccccc3)ns2)s1 ZINC000740115304 600579802 /nfs/dbraw/zinc/57/98/02/600579802.db2.gz QWXUHECYGOPMKE-UHFFFAOYSA-N -1 0 330.390 3.822 20 0 EHADRM C[C@@H](CC(=O)[O-])S[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000736551834 600581896 /nfs/dbraw/zinc/58/18/96/600581896.db2.gz KXGGAJJMSHXORF-YUMQZZPRSA-N -1 0 336.240 3.917 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000736708567 600589839 /nfs/dbraw/zinc/58/98/39/600589839.db2.gz JEGIMCYYMJXQFC-WMLDXEAASA-N -1 0 343.448 3.593 20 0 EHADRM CC(C)[C@H](S[C@H](C)CC(=O)[O-])C(=O)Nc1ccc2c(c1)CCC2 ZINC000736550656 600591849 /nfs/dbraw/zinc/59/18/49/600591849.db2.gz QEIVVUYKMAXRPD-PXAZEXFGSA-N -1 0 335.469 3.735 20 0 EHADRM CN(C(=O)CCc1ccccc1Cl)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737321379 600592513 /nfs/dbraw/zinc/59/25/13/600592513.db2.gz ALGCYFVGDCAXQV-QGZVFWFLSA-N -1 0 331.799 3.557 20 0 EHADRM CN(C(=O)/C=C\c1ccc(Cl)s1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737314299 600593397 /nfs/dbraw/zinc/59/33/97/600593397.db2.gz QIOLUNAWOKQFRQ-WKTRQSJXSA-N -1 0 335.812 3.699 20 0 EHADRM C[C@H](CC(=O)[O-])S[C@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000736552960 600594449 /nfs/dbraw/zinc/59/44/49/600594449.db2.gz QAWZIDLCUFQUBS-HTQZYQBOSA-N -1 0 336.240 3.917 20 0 EHADRM C[C@@H](CC(=O)[O-])SCC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000736550303 600594492 /nfs/dbraw/zinc/59/44/92/600594492.db2.gz FAUMDZRDMLZNBW-STQMWFEESA-N -1 0 331.437 3.613 20 0 EHADRM Cc1ccc(C)c(SCC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000738576840 600597883 /nfs/dbraw/zinc/59/78/83/600597883.db2.gz DFJGEIKQOCFDRU-SFHVURJKSA-N -1 0 343.448 3.680 20 0 EHADRM CN(C(=O)/C=C/Sc1ccccc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737314679 600599977 /nfs/dbraw/zinc/59/99/77/600599977.db2.gz RDLZFPZAKBUVLG-UJGDBWEASA-N -1 0 327.405 3.577 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)o1 ZINC000736762419 600601439 /nfs/dbraw/zinc/60/14/39/600601439.db2.gz ATQKEHDBSUWNNZ-AZOIQLNYSA-N -1 0 341.407 3.620 20 0 EHADRM C[C@@H]1CCc2c(C(=O)N(C)[C@@H](C(=O)[O-])c3ccccc3)csc2C1 ZINC000736803440 600602271 /nfs/dbraw/zinc/60/22/71/600602271.db2.gz VWWDAFDZSNEZNZ-SJKOYZFVSA-N -1 0 343.448 3.771 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C[C@@H]1CCc2ccccc21 ZINC000676016578 600608665 /nfs/dbraw/zinc/60/86/65/600608665.db2.gz HWDVSODWFIFGPT-HNNXBMFYSA-N -1 0 339.391 3.517 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N3CC[C@H]3c3ccccc3)c12 ZINC000738362470 600611311 /nfs/dbraw/zinc/61/13/11/600611311.db2.gz OHMCIFFHADJESX-ZDUSSCGKSA-N -1 0 339.420 3.958 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC000237318609 600616448 /nfs/dbraw/zinc/61/64/48/600616448.db2.gz KKRCEHKFOGQQTL-XXFAHNHDSA-N -1 0 344.238 3.542 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000178251956 600620217 /nfs/dbraw/zinc/62/02/17/600620217.db2.gz HDNRGCDGEVRGIN-AWEZNQCLSA-N -1 0 325.792 3.715 20 0 EHADRM O=C([O-])c1cc(NC(=O)NCCc2cc3ccccc3o2)ccc1F ZINC000739429069 600625183 /nfs/dbraw/zinc/62/51/83/600625183.db2.gz ANVZISSFPIIHSI-UHFFFAOYSA-N -1 0 342.326 3.634 20 0 EHADRM Cc1nc2sc3c(c2c(SC[C@H](C)C(=O)[O-])n1)CC[C@@H](C)C3 ZINC000738869302 600626177 /nfs/dbraw/zinc/62/61/77/600626177.db2.gz JMMQJAMMJKJAHW-BDAKNGLRSA-N -1 0 336.482 3.937 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1nccs1 ZINC000736860680 600626362 /nfs/dbraw/zinc/62/63/62/600626362.db2.gz BHVYAWFPTDDNDT-QGZVFWFLSA-N -1 0 347.440 3.607 20 0 EHADRM CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)c1ccc(C(=O)[O-])cn1 ZINC000555733375 600634566 /nfs/dbraw/zinc/63/45/66/600634566.db2.gz MGAFTDQCPSVSLU-INIZCTEOSA-N -1 0 346.814 3.903 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)NCc2ccc(C(=O)[O-])cc2)c1C ZINC000263295334 600641619 /nfs/dbraw/zinc/64/16/19/600641619.db2.gz VZGLMCYHFIHXGZ-AWEZNQCLSA-N -1 0 326.396 3.562 20 0 EHADRM CCN(C(=O)[C@@H](C)Cc1cccc(F)c1)c1ccccc1C(=O)[O-] ZINC000737049879 600646809 /nfs/dbraw/zinc/64/68/09/600646809.db2.gz JKKPNICWDJHVSD-ZDUSSCGKSA-N -1 0 329.371 3.756 20 0 EHADRM CCN(C(=O)COc1cc(C)ccc1Cl)c1ccccc1C(=O)[O-] ZINC000737060861 600647077 /nfs/dbraw/zinc/64/70/77/600647077.db2.gz XLTCCHITPFYRHH-UHFFFAOYSA-N -1 0 347.798 3.779 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N(Cc2cccc(O)c2)CC2CC2)c1 ZINC000740229179 600652731 /nfs/dbraw/zinc/65/27/31/600652731.db2.gz ZVDVSUSNORFLOJ-UHFFFAOYSA-N -1 0 340.379 3.535 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccnc(F)c1)c1ccc(Cl)cc1Cl ZINC000833351192 600653712 /nfs/dbraw/zinc/65/37/12/600653712.db2.gz OBAXFCMCWODGRL-LBPRGKRZSA-N -1 0 344.125 3.510 20 0 EHADRM Cc1cccc2cc(C(=O)O[C@H](C(=O)[O-])c3ccccc3F)oc21 ZINC000832974410 600654191 /nfs/dbraw/zinc/65/41/91/600654191.db2.gz KPQCSBFJOBYIJB-INIZCTEOSA-N -1 0 328.295 3.863 20 0 EHADRM CC(C)(C)[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC000245696160 600657498 /nfs/dbraw/zinc/65/74/98/600657498.db2.gz KZXVJDOTIBFSRB-SQWLQELKSA-N -1 0 335.419 3.920 20 0 EHADRM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC000236844529 600661047 /nfs/dbraw/zinc/66/10/47/600661047.db2.gz TXTAXGAANMOFIF-XWIAVFTESA-N -1 0 329.440 3.625 20 0 EHADRM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000183961882 600668996 /nfs/dbraw/zinc/66/89/96/600668996.db2.gz FPLXKWUXDLDFEA-JLSDUUJJSA-N -1 0 329.440 3.705 20 0 EHADRM O=C([O-])c1cc(NCCCOc2ccc(F)cc2)c(F)cc1F ZINC000740089453 600676325 /nfs/dbraw/zinc/67/63/25/600676325.db2.gz WYSWOVDOWOTHFL-UHFFFAOYSA-N -1 0 325.286 3.683 20 0 EHADRM Cc1cc(OCC(=O)Oc2ccccc2CC(=O)[O-])ccc1C(C)C ZINC000738473634 600677201 /nfs/dbraw/zinc/67/72/01/600677201.db2.gz AXQBTCWYMFKRQZ-UHFFFAOYSA-N -1 0 342.391 3.730 20 0 EHADRM Cc1cccc(C)c1NC(=O)CNc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000738695635 600681150 /nfs/dbraw/zinc/68/11/50/600681150.db2.gz PZVVZMCLANNFRF-UHFFFAOYSA-N -1 0 340.423 3.716 20 0 EHADRM CC(C)[C@H](OC(=O)C[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000827392150 600693197 /nfs/dbraw/zinc/69/31/97/600693197.db2.gz UBLWGJOZCCBXHX-HZMBPMFUSA-N -1 0 332.318 3.851 20 0 EHADRM O=C([O-])c1cccc(-c2noc(-c3cnc(-c4ccco4)s3)n2)c1 ZINC000833327930 600698412 /nfs/dbraw/zinc/69/84/12/600698412.db2.gz MPSIKAVBCLEYDI-UHFFFAOYSA-N -1 0 339.332 3.818 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)c1c[nH]cc1-c1ccc(F)cc1 ZINC000833026245 600698433 /nfs/dbraw/zinc/69/84/33/600698433.db2.gz ZABUJZCHQBETDU-UHFFFAOYSA-N -1 0 343.310 3.777 20 0 EHADRM O=C([O-])c1cccc(-c2noc([C@@H]3C[C@@H]3c3cccc(F)c3F)n2)c1 ZINC000833328149 600698430 /nfs/dbraw/zinc/69/84/30/600698430.db2.gz YHQMJKQEFFRLQE-CHWSQXEVSA-N -1 0 342.301 3.984 20 0 EHADRM O=C([O-])c1cccc(-c2noc(CCn3ccc4ccccc43)n2)c1 ZINC000833328007 600698459 /nfs/dbraw/zinc/69/84/59/600698459.db2.gz QHZSZSCTSBFJIR-UHFFFAOYSA-N -1 0 333.347 3.632 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000827586623 600699086 /nfs/dbraw/zinc/69/90/86/600699086.db2.gz QBQVJBVLXGWPGP-LLVKDONJSA-N -1 0 326.327 3.920 20 0 EHADRM C[C@@H](Cc1nc(-c2cccc(C(=O)[O-])c2)no1)c1ccccc1F ZINC000827597271 600700064 /nfs/dbraw/zinc/70/00/64/600700064.db2.gz QLGXDAHZWBPLFT-NSHDSACASA-N -1 0 326.327 3.920 20 0 EHADRM Cc1ccc(OCCc2nc(-c3cccc(C(=O)[O-])c3)no2)cc1C ZINC000832951178 600700568 /nfs/dbraw/zinc/70/05/68/600700568.db2.gz GUYOTKPWORJOSN-UHFFFAOYSA-N -1 0 338.363 3.673 20 0 EHADRM C[C@@H](OC(=O)[C@@H]1CCSc2ccccc21)c1ccc(C(=O)[O-])o1 ZINC000827826786 600710350 /nfs/dbraw/zinc/71/03/50/600710350.db2.gz PBMIBOQUARUWCG-ZYHUDNBSSA-N -1 0 332.377 3.862 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)NCCCCCC(=O)[O-])C1 ZINC000414607961 600722412 /nfs/dbraw/zinc/72/24/12/600722412.db2.gz IKYOUJJTDSFBSF-XJKSGUPXSA-N -1 0 336.407 3.563 20 0 EHADRM C/C(=C\CSc1nnc(Nc2ccccc2F)s1)C(=O)[O-] ZINC000825792335 600725256 /nfs/dbraw/zinc/72/52/56/600725256.db2.gz CVYUZQBKICAYLI-SOFGYWHQSA-N -1 0 325.390 3.544 20 0 EHADRM C/C(=C\CSc1nnc2cc(C)c3cc(C)cc(C)c3n21)C(=O)[O-] ZINC000825792538 600726245 /nfs/dbraw/zinc/72/62/45/600726245.db2.gz GWVDORUZEQFMPO-VZUCSPMQSA-N -1 0 341.436 3.931 20 0 EHADRM C[C@H](OC(=O)[C@H]1C[C@]12CCCc1ccccc12)c1ccc(C(=O)[O-])o1 ZINC000827818667 600737126 /nfs/dbraw/zinc/73/71/26/600737126.db2.gz VLYAADZHODIXAJ-VHPWJVAPSA-N -1 0 340.375 3.876 20 0 EHADRM Cc1cc(COC(=O)[C@H]2C[C@]23CCCc2ccccc23)oc1C(=O)[O-] ZINC000832885392 600738031 /nfs/dbraw/zinc/73/80/31/600738031.db2.gz MZIRCLUNOUGXDW-UZLBHIALSA-N -1 0 340.375 3.624 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)Nc2ccccc2OCC2CC2)c1 ZINC000739463211 600743674 /nfs/dbraw/zinc/74/36/74/600743674.db2.gz NXDNXLOULQMSLI-UHFFFAOYSA-N -1 0 344.342 3.957 20 0 EHADRM CC(C)[C@@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccccc1Cl ZINC000263152644 600751824 /nfs/dbraw/zinc/75/18/24/600751824.db2.gz BFHZGHZSUYHZST-SWLSCSKDSA-N -1 0 338.835 3.543 20 0 EHADRM Cn1ccc2c1cccc2C(=O)Oc1ccc(Cl)cc1C(=O)[O-] ZINC000739038295 600756653 /nfs/dbraw/zinc/75/66/53/600756653.db2.gz CJNMNCSMPLZXDK-UHFFFAOYSA-N -1 0 329.739 3.749 20 0 EHADRM O=C([O-])[C@H](Nc1ccc(F)c(Br)c1)c1ccc(F)cc1 ZINC000833170258 600761606 /nfs/dbraw/zinc/76/16/06/600761606.db2.gz OWKLBIXLDPLYOC-CYBMUJFWSA-N -1 0 342.139 3.965 20 0 EHADRM CC(C)(CC(=O)[O-])NC(=O)CCCOc1cccc(Cl)c1Cl ZINC000736307729 600776030 /nfs/dbraw/zinc/77/60/30/600776030.db2.gz LGGJHFANILFJCQ-UHFFFAOYSA-N -1 0 348.226 3.522 20 0 EHADRM CC(C)(CC(=O)[O-])NC(=O)c1ccc(C2SCCCS2)cc1 ZINC000736313390 600780094 /nfs/dbraw/zinc/78/00/94/600780094.db2.gz YYEFMYKHUDSLCK-UHFFFAOYSA-N -1 0 339.482 3.538 20 0 EHADRM Cc1c(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)cccc1C(=O)[O-] ZINC000678975799 600784361 /nfs/dbraw/zinc/78/43/61/600784361.db2.gz OXUQPUDMMPYGPD-UWJYYQICSA-N -1 0 335.403 3.926 20 0 EHADRM O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)C=C(C1CC1)C1CC1 ZINC000833233342 600797070 /nfs/dbraw/zinc/79/70/70/600797070.db2.gz RIFIJCMSWRXIHH-UHFFFAOYSA-N -1 0 349.377 3.515 20 0 EHADRM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1)c1cccs1 ZINC000776679069 600800969 /nfs/dbraw/zinc/80/09/69/600800969.db2.gz UAZJWUXASKYRED-ZWNOBZJWSA-N -1 0 337.828 3.837 20 0 EHADRM COc1ccc2cc([C@@H](C)OC(=O)CCCN(C)C(=O)[O-])ccc2c1 ZINC000832504918 600802777 /nfs/dbraw/zinc/80/27/77/600802777.db2.gz ZHXYRKQDTKWBHT-CYBMUJFWSA-N -1 0 345.395 3.843 20 0 EHADRM C[C@H](Nc1nc(Cl)c(C(=O)[O-])s1)c1cccc(-n2cccn2)c1 ZINC000827773356 600803563 /nfs/dbraw/zinc/80/35/63/600803563.db2.gz JIKJSJRZFBNUCG-VIFPVBQESA-N -1 0 348.815 3.854 20 0 EHADRM Cc1cc(OCC(=O)Nc2sc(C)c(C)c2C)c(C(=O)[O-])s1 ZINC000832901388 600804274 /nfs/dbraw/zinc/80/42/74/600804274.db2.gz OZNRUJFXXUFUOY-UHFFFAOYSA-N -1 0 339.438 3.759 20 0 EHADRM Cc1cc(OCc2ccn(-c3ccc(F)cc3)n2)c(C(=O)[O-])s1 ZINC000832900498 600804336 /nfs/dbraw/zinc/80/43/36/600804336.db2.gz BXGUVPGDRQKEDO-UHFFFAOYSA-N -1 0 332.356 3.659 20 0 EHADRM CCOC(=O)c1nc(-c2ccccc2)oc1CS[C@H](C)CC(=O)[O-] ZINC000829890143 600805316 /nfs/dbraw/zinc/80/53/16/600805316.db2.gz LSWPURVWFGPAQL-LLVKDONJSA-N -1 0 349.408 3.615 20 0 EHADRM CCc1ccc(CC(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000776677813 600805677 /nfs/dbraw/zinc/80/56/77/600805677.db2.gz NIDCEJKDWQADGU-QGZVFWFLSA-N -1 0 345.826 3.777 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc2ccccc2[nH]1)c1cccc(Cl)c1 ZINC000776671649 600807476 /nfs/dbraw/zinc/80/74/76/600807476.db2.gz CDYPGEYDCCBQPK-HNNXBMFYSA-N -1 0 342.782 3.767 20 0 EHADRM Cc1cccc([C@@H](C)CNC(=O)Nc2ccc(CC(=O)[O-])cc2)c1 ZINC000738691168 600810097 /nfs/dbraw/zinc/81/00/97/600810097.db2.gz MJLMNKTYXHEZIA-AWEZNQCLSA-N -1 0 326.396 3.547 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CC[C@@H]1c1cccc(F)c1 ZINC000832915802 600812567 /nfs/dbraw/zinc/81/25/67/600812567.db2.gz JGRHXGZEIWJGDO-MRXNPFEDSA-N -1 0 328.343 3.811 20 0 EHADRM Cc1oc(CN(C)Cc2ncc(-c3ccccc3C)o2)cc1C(=O)[O-] ZINC000574285341 600814159 /nfs/dbraw/zinc/81/41/59/600814159.db2.gz MGIZONKPCGFSMH-UHFFFAOYSA-N -1 0 340.379 3.882 20 0 EHADRM Cc1cc(Nc2ccc(C(C)(C)C(=O)[O-])cc2)nc(-c2ccccn2)n1 ZINC000832898415 600818165 /nfs/dbraw/zinc/81/81/65/600818165.db2.gz HDFYUDIKOGGPKI-UHFFFAOYSA-N -1 0 348.406 3.953 20 0 EHADRM C[C@H](NC(=S)N1C[C@@H](CC(=O)[O-])c2ccccc21)c1cccs1 ZINC000736659980 600820026 /nfs/dbraw/zinc/82/00/26/600820026.db2.gz BGMNDZSAFQSSPA-NWDGAFQWSA-N -1 0 346.477 3.762 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000120245219 600823339 /nfs/dbraw/zinc/82/33/39/600823339.db2.gz LGENKTCVPDUUAQ-OCCSQVGLSA-N -1 0 331.318 3.714 20 0 EHADRM CCC[C@@](C)(NC(=O)C[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000236955358 600831080 /nfs/dbraw/zinc/83/10/80/600831080.db2.gz DVJQIOWEXXGCDN-MEDUHNTESA-N -1 0 345.361 3.959 20 0 EHADRM CCC[C@](C)(NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000236809212 600831106 /nfs/dbraw/zinc/83/11/06/600831106.db2.gz DVJQIOWEXXGCDN-BZNIZROVSA-N -1 0 345.361 3.959 20 0 EHADRM C[C@H](CC(=O)N(C)CCCC(=O)[O-])c1ccccc1C(F)(F)F ZINC000237494814 600831477 /nfs/dbraw/zinc/83/14/77/600831477.db2.gz NZMUBOGGSDGFKH-LLVKDONJSA-N -1 0 331.334 3.522 20 0 EHADRM Cc1ccc(-c2nc(S[C@H](C(=O)[O-])c3ccccc3F)n[nH]2)cc1 ZINC000832907800 600833448 /nfs/dbraw/zinc/83/34/48/600833448.db2.gz MSYKRENNXVHEBQ-AWEZNQCLSA-N -1 0 343.383 3.837 20 0 EHADRM Cc1oc(CN2C[C@@H](c3ccccc3C)OC[C@@H]2C)cc1C(=O)[O-] ZINC000652423305 600834411 /nfs/dbraw/zinc/83/44/11/600834411.db2.gz RUKDSDGTWQYUMX-UGSOOPFHSA-N -1 0 329.396 3.557 20 0 EHADRM CC/C(=C\C(=O)N[C@H](C(=O)[O-])c1cccs1)c1ccc(C)cc1 ZINC000736833387 600837442 /nfs/dbraw/zinc/83/74/42/600837442.db2.gz CKRUHPLJKJPKNE-HVJHFUJKSA-N -1 0 329.421 3.792 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000740066249 600840631 /nfs/dbraw/zinc/84/06/31/600840631.db2.gz OZLUSKNFVRWVLN-KOLCDFICSA-N -1 0 335.281 3.544 20 0 EHADRM Cc1cccc(NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1Cl ZINC000391993557 600844686 /nfs/dbraw/zinc/84/46/86/600844686.db2.gz USFSUBIXRLUIIM-UHFFFAOYSA-N -1 0 330.771 3.894 20 0 EHADRM CC(C)c1nn(C)c2sc(C(=O)Nc3ccc(C(=O)[O-])cc3)cc12 ZINC000500648758 600845412 /nfs/dbraw/zinc/84/54/12/600845412.db2.gz IIEISKCRVPFULF-UHFFFAOYSA-N -1 0 343.408 3.709 20 0 EHADRM CSc1ccc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000322324949 600848840 /nfs/dbraw/zinc/84/88/40/600848840.db2.gz JPJDBKRYEGKQRG-CYBMUJFWSA-N -1 0 327.405 3.627 20 0 EHADRM C/C(=C/C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)C(C)(C)C ZINC000825725070 600854554 /nfs/dbraw/zinc/85/45/54/600854554.db2.gz ZPQREQTWSLHZLY-QBFSEMIESA-N -1 0 330.428 3.916 20 0 EHADRM CC(C)Cc1nc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cs1 ZINC000736454822 600861668 /nfs/dbraw/zinc/86/16/68/600861668.db2.gz XETGEYKQPFBSMO-LBPRGKRZSA-N -1 0 344.436 3.560 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@@H](c1ccccc1)C(C)C ZINC000236651685 600865457 /nfs/dbraw/zinc/86/54/57/600865457.db2.gz WKDXUBQOBBKQAT-LJQANCHMSA-N -1 0 341.407 3.837 20 0 EHADRM CCSCc1cccc(NC(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000737231208 600866174 /nfs/dbraw/zinc/86/61/74/600866174.db2.gz HRVRMNNYGLSRAZ-UHFFFAOYSA-N -1 0 345.420 3.655 20 0 EHADRM CN(C(=O)/C=C/C1CC1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000830464802 600872403 /nfs/dbraw/zinc/87/24/03/600872403.db2.gz MOHXIOWKEKAMPV-GBXSZLQWSA-N -1 0 328.195 3.544 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N(C[C@@H](C)C(=O)[O-])C3CC3)o2)cc1 ZINC000236984905 600873311 /nfs/dbraw/zinc/87/33/11/600873311.db2.gz UMOHAUODSJZRBJ-CYBMUJFWSA-N -1 0 341.407 3.834 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)CCOCc2ccccc2)cc1 ZINC000262420008 600881605 /nfs/dbraw/zinc/88/16/05/600881605.db2.gz CNUUZQDYEXPYEJ-UHFFFAOYSA-N -1 0 341.407 3.594 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C2(c3ccccc3F)CC2)cc1 ZINC000262452040 600881774 /nfs/dbraw/zinc/88/17/74/600881774.db2.gz HJNDDGJKXZIWGK-UHFFFAOYSA-N -1 0 341.382 3.858 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1 ZINC000263190148 600883686 /nfs/dbraw/zinc/88/36/86/600883686.db2.gz XZTYUMHYNUTVPC-SJORKVTESA-N -1 0 341.382 3.930 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N[C@H]1C[C@@H]1C1CCCCC1)C(=O)[O-] ZINC000262390048 600883993 /nfs/dbraw/zinc/88/39/93/600883993.db2.gz KHDLFSVIUPKPKU-MAZHCROVSA-N -1 0 347.480 3.950 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)c2ccc(OC3CCC3)cc2)cc1 ZINC000833280918 600888229 /nfs/dbraw/zinc/88/82/29/600888229.db2.gz CUJJDXWBXOMHCC-UHFFFAOYSA-N -1 0 340.379 3.638 20 0 EHADRM CCOc1c(F)cccc1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000767181815 600890214 /nfs/dbraw/zinc/89/02/14/600890214.db2.gz RCVAQPDTIULARM-UHFFFAOYSA-N -1 0 337.734 3.828 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)s1 ZINC000035424841 600898215 /nfs/dbraw/zinc/89/82/15/600898215.db2.gz JNZJBNCJNDKEKP-UHFFFAOYSA-N -1 0 330.192 3.934 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(F)cc2Br)s1 ZINC000035426574 600901483 /nfs/dbraw/zinc/90/14/83/600901483.db2.gz OSHWNDNXSBDHOW-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM COc1ccc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c(C(F)(F)F)c1 ZINC000326599107 600903758 /nfs/dbraw/zinc/90/37/58/600903758.db2.gz FVRCKZDZGXIUTD-ZJUUUORDSA-N -1 0 345.317 3.544 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)cc2)oc1C ZINC000679390174 600904942 /nfs/dbraw/zinc/90/49/42/600904942.db2.gz YMYULCAMGFQAGQ-HUUCEWRRSA-N -1 0 342.395 3.788 20 0 EHADRM CC/C(=C\C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccc(C)cc1 ZINC000370238432 600906471 /nfs/dbraw/zinc/90/64/71/600906471.db2.gz KLFAXLWCBZVWHY-OKACTXMXSA-N -1 0 327.424 3.502 20 0 EHADRM CCCN(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)[C@H](C)c1ccccc1OC ZINC000829453776 600914119 /nfs/dbraw/zinc/91/41/19/600914119.db2.gz YUZFFJCUDKOFES-OAGGEKHMSA-N -1 0 347.455 3.886 20 0 EHADRM COc1ccc([C@@H](C)CCNC(=O)c2ccccc2NC(=O)[O-])cc1 ZINC000737945576 600916358 /nfs/dbraw/zinc/91/63/58/600916358.db2.gz BMSKMRKSSGKAOZ-ZDUSSCGKSA-N -1 0 342.395 3.709 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NCc2ccc(OC3CCCC3)cc2)C1 ZINC000679393117 600918922 /nfs/dbraw/zinc/91/89/22/600918922.db2.gz GCLBFAWGOZEDCH-HZPDHXFCSA-N -1 0 345.439 3.515 20 0 EHADRM Cc1[nH]c(C(=O)Nc2cccc(CC(F)(F)F)c2)c(C)c1C(=O)[O-] ZINC000832845806 600921245 /nfs/dbraw/zinc/92/12/45/600921245.db2.gz BPCOGFXNKHBSNI-UHFFFAOYSA-N -1 0 340.301 3.687 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2cccc(SC(F)F)c2)C1 ZINC000179996971 600926070 /nfs/dbraw/zinc/92/60/70/600926070.db2.gz TVNXLMIAFUYCDO-VHSXEESVSA-N -1 0 329.368 3.831 20 0 EHADRM CCC(CC)(NC(=O)/C=C/c1ccc2cc(OC)ccc2c1)C(=O)[O-] ZINC000808518936 600928376 /nfs/dbraw/zinc/92/83/76/600928376.db2.gz SIKSGCWBKLQNFY-YRNVUSSQSA-N -1 0 341.407 3.621 20 0 EHADRM Cc1[nH]c(C(=O)N2CCCC3(C2)CCCCCC3)c(C)c1C(=O)[O-] ZINC000832843422 600931045 /nfs/dbraw/zinc/93/10/45/600931045.db2.gz LUFPNKUPDCTOIT-UHFFFAOYSA-N -1 0 332.444 3.906 20 0 EHADRM CCCC[C@H](Sc1nc2ccccc2c(=O)n1CCCC)C(=O)[O-] ZINC000736986664 600935968 /nfs/dbraw/zinc/93/59/68/600935968.db2.gz YERAPOAWEHDAIM-HNNXBMFYSA-N -1 0 348.468 3.932 20 0 EHADRM CC(C)c1nn(C)c2sc(C(=O)Oc3cccc(C(=O)[O-])c3)cc12 ZINC000827163955 600937562 /nfs/dbraw/zinc/93/75/62/600937562.db2.gz HFQNMGAPXCAZRG-UHFFFAOYSA-N -1 0 344.392 3.676 20 0 EHADRM C[C@H]1CC[C@@H](CCC(=O)Oc2c(C(=O)[O-])ccc3ccccc32)O1 ZINC000828225486 600938658 /nfs/dbraw/zinc/93/86/58/600938658.db2.gz AYHOQYXFWNJROX-JSGCOSHPSA-N -1 0 328.364 3.791 20 0 EHADRM CN(Cc1ncc(-c2ccccc2F)o1)Cc1ccc(C(=O)[O-])cc1 ZINC000737470805 600949289 /nfs/dbraw/zinc/94/92/89/600949289.db2.gz NAPMCEXSDJFVDC-UHFFFAOYSA-N -1 0 340.354 3.811 20 0 EHADRM COc1ccc2c(c1)CCC[C@@H]2CC(=O)O[C@@H](CC(C)C)C(=O)[O-] ZINC000832493726 600950448 /nfs/dbraw/zinc/95/04/48/600950448.db2.gz RHILQENQTBRJBC-PBHICJAKSA-N -1 0 334.412 3.548 20 0 EHADRM CC(C)C[C@@H](OC(=O)/C=C\c1ccccc1OC(F)(F)F)C(=O)[O-] ZINC000826812476 600954158 /nfs/dbraw/zinc/95/41/58/600954158.db2.gz IVJABMOJIXZBOJ-MEJMFZKBSA-N -1 0 346.301 3.641 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2cccc(C(=O)[O-])c2)o1 ZINC000237704664 600962124 /nfs/dbraw/zinc/96/21/24/600962124.db2.gz XNAQXOJZRWATHU-LRDDRELGSA-N -1 0 327.380 3.900 20 0 EHADRM O=C([O-])C[C@@H]1CN(Cc2ncc(-c3cccs3)o2)c2ccccc21 ZINC000739653061 600963949 /nfs/dbraw/zinc/96/39/49/600963949.db2.gz GIGSXFDZWLCTRC-GFCCVEGCSA-N -1 0 340.404 3.982 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)NCC2(c3cccs3)CCCCC2)C1 ZINC000498646141 600965053 /nfs/dbraw/zinc/96/50/53/600965053.db2.gz LVPUWUXDQCVQTN-GJZGRUSLSA-N -1 0 349.496 3.957 20 0 EHADRM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)Oc2cccc(C(=O)[O-])c2)cc1 ZINC000832928809 600965419 /nfs/dbraw/zinc/96/54/19/600965419.db2.gz WWKKHYKXVSTNQG-MSOLQXFVSA-N -1 0 340.375 3.767 20 0 EHADRM Cc1cc(NC(=O)[C@H]2C[C@@]23CCc2ccccc23)sc1C(=O)[O-] ZINC000832892762 600965570 /nfs/dbraw/zinc/96/55/70/600965570.db2.gz DLAYYRRBTFVANF-FZKQIMNGSA-N -1 0 327.405 3.597 20 0 EHADRM O=C([O-])c1sccc1NC(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000833348073 600966526 /nfs/dbraw/zinc/96/65/26/600966526.db2.gz NCUIJKGSAMHRMD-ACJLOTCBSA-N -1 0 327.405 3.679 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)NCc2ccc(-c3cccnc3)cc2)c1 ZINC000833291962 600968341 /nfs/dbraw/zinc/96/83/41/600968341.db2.gz XGLSCSFVTPDPRR-UHFFFAOYSA-N -1 0 347.374 3.769 20 0 EHADRM CCC[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000498648430 600968670 /nfs/dbraw/zinc/96/86/70/600968670.db2.gz GXOPSIVYIFMLAC-KZNAEPCWSA-N -1 0 331.456 3.795 20 0 EHADRM CCOc1cccc(NC(=S)N(C)Cc2cc(C(=O)[O-])c(C)o2)c1 ZINC000830104875 600970839 /nfs/dbraw/zinc/97/08/39/600970839.db2.gz XLVMAPCKYAULJJ-UHFFFAOYSA-N -1 0 348.424 3.514 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)[C@H](C)CCc1cccc(F)c1 ZINC000832524137 600971539 /nfs/dbraw/zinc/97/15/39/600971539.db2.gz QNJPRSNECKVEPP-GFCCVEGCSA-N -1 0 346.354 3.707 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)[C@H](C)CCc1ccccc1F ZINC000832523958 600971582 /nfs/dbraw/zinc/97/15/82/600971582.db2.gz OBIQWTRLEBENBB-GFCCVEGCSA-N -1 0 346.354 3.707 20 0 EHADRM CC(C)n1ccc(CC(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])n1 ZINC000827192560 600973247 /nfs/dbraw/zinc/97/32/47/600973247.db2.gz FOPOELIYRBPFIK-UHFFFAOYSA-N -1 0 349.456 3.702 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1cccc(F)c1Cl)c1ccccc1 ZINC000828595100 600973738 /nfs/dbraw/zinc/97/37/38/600973738.db2.gz QVTCHUZOUQPZFY-AWEZNQCLSA-N -1 0 335.762 3.989 20 0 EHADRM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000832931283 600974016 /nfs/dbraw/zinc/97/40/16/600974016.db2.gz VQWBATGVINQOIQ-YRXWBPOGSA-N -1 0 343.467 3.981 20 0 EHADRM CC[C@H](Sc1n[nH]c(-c2cc(Cl)cc(Cl)c2)n1)C(=O)[O-] ZINC000736930318 600986709 /nfs/dbraw/zinc/98/67/09/600986709.db2.gz ZKNVFVYSDIYUCC-VIFPVBQESA-N -1 0 332.212 3.734 20 0 EHADRM COc1cc(CN(C)[C@@H](C(=O)[O-])c2ccccc2F)ccc1SC ZINC000516301451 600992554 /nfs/dbraw/zinc/99/25/54/600992554.db2.gz RPNRGUWGIZFQGM-QGZVFWFLSA-N -1 0 349.427 3.814 20 0 EHADRM NC(=O)Nc1ccc(-c2csc(-c3cccc(C(=O)[O-])c3)n2)cc1 ZINC000071971708 600992957 /nfs/dbraw/zinc/99/29/57/600992957.db2.gz RELGMDARWZZAMQ-UHFFFAOYSA-N -1 0 339.376 3.666 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)Nc1cccc2c1CCCC2)c1ccccc1 ZINC000327624364 600995452 /nfs/dbraw/zinc/99/54/52/600995452.db2.gz OYKNEKABNPMSSH-KRWDZBQOSA-N -1 0 338.407 3.555 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NC[C@H](C)Cc1cccs1 ZINC000832915763 600996966 /nfs/dbraw/zinc/99/69/66/600996966.db2.gz NWUMRPOTINYNEM-LLVKDONJSA-N -1 0 332.425 3.755 20 0 EHADRM O=C([O-])[C@@H](NCc1ncc(-c2cccc(Cl)c2)o1)c1ccccc1 ZINC000324410797 600996964 /nfs/dbraw/zinc/99/69/64/600996964.db2.gz KHIUKJXWZULENG-KRWDZBQOSA-N -1 0 342.782 3.911 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@@H]2CCSc3ccccc32)cc1 ZINC000739877487 601001105 /nfs/dbraw/zinc/00/11/05/601001105.db2.gz PSHMKJLGIUGENR-OAHLLOKOSA-N -1 0 327.405 3.532 20 0 EHADRM CC[C@@H](C)C[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000828739599 601001684 /nfs/dbraw/zinc/00/16/84/601001684.db2.gz RRFSVYDLYINQHJ-ZIAGYGMSSA-N -1 0 347.459 3.931 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000262425258 601004883 /nfs/dbraw/zinc/00/48/83/601004883.db2.gz QZNHHHPTAYXJGA-LJQANCHMSA-N -1 0 339.435 3.726 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C)c2ccccc2C(F)(F)F)c(C(=O)[O-])[nH]1 ZINC000738419188 601010074 /nfs/dbraw/zinc/01/00/74/601010074.db2.gz WMDAVCKOLGXNEF-VIFPVBQESA-N -1 0 340.301 3.782 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@H]2CCSc3ccccc32)cc1 ZINC000739756335 601010156 /nfs/dbraw/zinc/01/01/56/601010156.db2.gz QZIPQEKXBIEUAO-INIZCTEOSA-N -1 0 341.432 3.922 20 0 EHADRM CC[C@@](NC(=O)[C@@H](C)c1cccc(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC000561735787 601010740 /nfs/dbraw/zinc/01/07/40/601010740.db2.gz LPRJQXLLLKBGHG-DJJJIMSYSA-N -1 0 345.826 3.950 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@H](C)c1cccc(F)c1)c1ccccc1 ZINC000736848655 601011607 /nfs/dbraw/zinc/01/16/07/601011607.db2.gz OBIUHOVTMGHPBL-DYVFJYSZSA-N -1 0 329.371 3.826 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccncc1 ZINC000828952150 601014095 /nfs/dbraw/zinc/01/40/95/601014095.db2.gz VXRKUZGOLIHDTR-AWEZNQCLSA-N -1 0 333.775 3.706 20 0 EHADRM CN(C(=O)[C@@H]1CCSc2ccccc21)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737314778 601018691 /nfs/dbraw/zinc/01/86/91/601018691.db2.gz SDOSVOZEGMXYKF-NVXWUHKLSA-N -1 0 341.432 3.550 20 0 EHADRM O=C([O-])CCN(C(=O)[C@@H]1C[C@H]1C1CCCCC1)c1cccc(F)c1 ZINC000739711228 601027739 /nfs/dbraw/zinc/02/77/39/601027739.db2.gz IPUJPWNFOQTCLQ-DLBZAZTESA-N -1 0 333.403 3.850 20 0 EHADRM CN(CCc1cccs1)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000830800637 601029450 /nfs/dbraw/zinc/02/94/50/601029450.db2.gz OWDRIVCZLXZBIP-UHFFFAOYSA-N -1 0 333.413 3.569 20 0 EHADRM Cc1ccc(CC[C@H](C)NC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)o1 ZINC000832930024 601030737 /nfs/dbraw/zinc/03/07/37/601030737.db2.gz JAXCOHKQOJETGV-LBPRGKRZSA-N -1 0 345.399 3.845 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(CC(=O)[O-])cc1)Sc1ccccc1 ZINC000827485907 601031242 /nfs/dbraw/zinc/03/12/42/601031242.db2.gz CGDKTMGDYQUQON-CYBMUJFWSA-N -1 0 344.436 3.616 20 0 EHADRM CCc1[nH]c(C(=O)N[C@H](CC2CC2)c2ccccc2)c(C)c1C(=O)[O-] ZINC000737243454 601031953 /nfs/dbraw/zinc/03/19/53/601031953.db2.gz YWOKTLDRMLIRIA-MRXNPFEDSA-N -1 0 340.423 3.855 20 0 EHADRM C[C@@H]1C[C@@H]1[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccc(Cl)cc1 ZINC000358962702 601034034 /nfs/dbraw/zinc/03/40/34/601034034.db2.gz XZGBPARZXGMECT-FUEDEBDSSA-N -1 0 344.798 3.560 20 0 EHADRM C[C@@H]1C[C@H]1[C@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000736766930 601034042 /nfs/dbraw/zinc/03/40/42/601034042.db2.gz WYEMOMWHDAPHOH-QSGSBWRWSA-N -1 0 344.798 3.560 20 0 EHADRM Cc1cc(NC(=O)NC[C@H](C)c2ccc(F)cc2F)ccc1C(=O)[O-] ZINC000832894937 601040407 /nfs/dbraw/zinc/04/04/07/601040407.db2.gz NTZMABDIKHBOSU-NSHDSACASA-N -1 0 348.349 3.897 20 0 EHADRM Cc1cnc([C@@H](NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)C2CC2)s1 ZINC000832985427 601040715 /nfs/dbraw/zinc/04/07/15/601040715.db2.gz FPDOWXBOZGXGGZ-AWEZNQCLSA-N -1 0 345.424 3.731 20 0 EHADRM CCSc1cccc(NC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000830169370 601050450 /nfs/dbraw/zinc/05/04/50/601050450.db2.gz UJCQSGLMFPFZPV-MRXNPFEDSA-N -1 0 344.436 3.789 20 0 EHADRM CC(C)c1cc(C(=O)Oc2c(C(=O)[O-])ccc3ccccc32)nn1C ZINC000827107234 601056204 /nfs/dbraw/zinc/05/62/04/601056204.db2.gz UDROGVHXTXTZGU-UHFFFAOYSA-N -1 0 338.363 3.614 20 0 EHADRM CC(C)Oc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000827048379 601056920 /nfs/dbraw/zinc/05/69/20/601056920.db2.gz OJSNWNLBOCKMNB-INIZCTEOSA-N -1 0 332.327 3.596 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000236972252 601057211 /nfs/dbraw/zinc/05/72/11/601057211.db2.gz FVHXNVMTIWIGLT-GZBPVQSJSA-N -1 0 344.238 3.712 20 0 EHADRM C[C@@H](C(=O)N1CCCC[C@@H]1CC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000679394922 601057232 /nfs/dbraw/zinc/05/72/32/601057232.db2.gz SDVKPHBXLGIJNE-ZYHUDNBSSA-N -1 0 344.238 3.953 20 0 EHADRM C[C@H](CN(C(=O)[C@H](C)c1ccc(Cl)c(Cl)c1)C1CC1)C(=O)[O-] ZINC000262091833 601057591 /nfs/dbraw/zinc/05/75/91/601057591.db2.gz CSGBJGYHFLDTBU-NXEZZACHSA-N -1 0 344.238 3.809 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccc(F)cc1Cl)c1ccccc1F ZINC000833351453 601061718 /nfs/dbraw/zinc/06/17/18/601061718.db2.gz MDJCLFIXXSOMKG-CYBMUJFWSA-N -1 0 326.682 3.601 20 0 EHADRM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000486270485 601064763 /nfs/dbraw/zinc/06/47/63/601064763.db2.gz MOIBNQVATKGHDC-LBPRGKRZSA-N -1 0 345.420 3.821 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000833350828 601065414 /nfs/dbraw/zinc/06/54/14/601065414.db2.gz LYINJGWCEXLRCX-ZDUSSCGKSA-N -1 0 325.147 3.976 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)cc1C(=O)[O-] ZINC000237705719 601066634 /nfs/dbraw/zinc/06/66/34/601066634.db2.gz MQYBMYBJEPQJGM-KBPBESRZSA-N -1 0 331.318 3.714 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)s1 ZINC000237764552 601066886 /nfs/dbraw/zinc/06/68/86/601066886.db2.gz MTEIHMVWBLCEQO-UHFFFAOYSA-N -1 0 341.335 3.917 20 0 EHADRM Cc1[nH]c(C(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)c(C)c1C(=O)[O-] ZINC000738162321 601067252 /nfs/dbraw/zinc/06/72/52/601067252.db2.gz WOSXVYAKTARYSL-WBMJQRKESA-N -1 0 340.423 3.596 20 0 EHADRM Cc1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)cc1C(=O)[O-] ZINC000320481403 601067343 /nfs/dbraw/zinc/06/73/43/601067343.db2.gz SMPWGZVYBZHGQW-UHFFFAOYSA-N -1 0 327.233 3.502 20 0 EHADRM CCC[C@H](C(=O)NC[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000262466840 601068164 /nfs/dbraw/zinc/06/81/64/601068164.db2.gz JAMQKZRJVNXSIO-ZWKOTPCHSA-N -1 0 325.408 3.555 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cc(Cl)c[nH]1)c1ccc(Cl)cc1Cl ZINC000833351227 601077409 /nfs/dbraw/zinc/07/74/09/601077409.db2.gz OJNXKUDBOQXEDK-NSHDSACASA-N -1 0 348.569 3.958 20 0 EHADRM CC(C)(C)c1ccc(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000261616937 601080489 /nfs/dbraw/zinc/08/04/89/601080489.db2.gz FMNNYLQABVOYBU-KRWDZBQOSA-N -1 0 325.408 3.582 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1coc2ccccc12 ZINC000833178360 601084643 /nfs/dbraw/zinc/08/46/43/601084643.db2.gz GXZICDKGKDBLCA-RHSMWYFYSA-N -1 0 341.407 3.928 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc(C(=O)[O-])s1 ZINC000237010792 601086804 /nfs/dbraw/zinc/08/68/04/601086804.db2.gz JOTRZFXBQSOKFV-AWEZNQCLSA-N -1 0 331.437 3.848 20 0 EHADRM Cc1[nH]c(C(=O)N2CC[C@@H]2c2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC000738159394 601086841 /nfs/dbraw/zinc/08/68/41/601086841.db2.gz KHCOLNRAARMSEJ-CYBMUJFWSA-N -1 0 332.787 3.570 20 0 EHADRM Cc1[nH]c(C(=O)N(C)CC(C)(C)c2ccc(C)cc2)c(C)c1C(=O)[O-] ZINC000738257344 601087161 /nfs/dbraw/zinc/08/71/61/601087161.db2.gz CCULOZODDVCWDU-UHFFFAOYSA-N -1 0 342.439 3.688 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N2CC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000740123166 601087165 /nfs/dbraw/zinc/08/71/65/601087165.db2.gz INONHQBLWBRSHV-KRWDZBQOSA-N -1 0 343.810 3.944 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N2CCc3sccc3C2)cc1 ZINC000391671049 601088336 /nfs/dbraw/zinc/08/83/36/601088336.db2.gz PAWMATPHHDFULV-UHFFFAOYSA-N -1 0 344.436 3.701 20 0 EHADRM CCc1ccc(C(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])s1 ZINC000830232205 601089390 /nfs/dbraw/zinc/08/93/90/601089390.db2.gz HYQXBRMFUVWJIC-UKRRQHHQSA-N -1 0 335.469 3.806 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N2CCC[C@@H]2C2CCC2)cc1 ZINC000826118643 601094454 /nfs/dbraw/zinc/09/44/54/601094454.db2.gz QDSQEYSEEUSZQT-MRXNPFEDSA-N -1 0 330.428 3.845 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1cccc(O)c1 ZINC000827671373 601094515 /nfs/dbraw/zinc/09/45/15/601094515.db2.gz FTBABEHWNHOVQC-LBPRGKRZSA-N -1 0 342.395 3.637 20 0 EHADRM Cc1cccc(CCNC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000327241231 601095438 /nfs/dbraw/zinc/09/54/38/601095438.db2.gz TVIGKQFBKXZAKO-UHFFFAOYSA-N -1 0 340.423 3.721 20 0 EHADRM C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)[C@H]1c1cccc(F)c1 ZINC000180129934 601107968 /nfs/dbraw/zinc/10/79/68/601107968.db2.gz RBJIJOVBJQYGTI-JJAZEVLHSA-N -1 0 333.403 3.626 20 0 EHADRM CN(Cc1nc(C(F)(F)F)cs1)[C@@H](C(=O)[O-])c1ccccc1F ZINC000570219203 601115667 /nfs/dbraw/zinc/11/56/67/601115667.db2.gz IRVXOQVUFZITGY-GFCCVEGCSA-N -1 0 348.321 3.559 20 0 EHADRM CC(C)c1cccc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2F)c1N ZINC000827134425 601117297 /nfs/dbraw/zinc/11/72/97/601117297.db2.gz ZHUBEZCBVOGKCC-MRXNPFEDSA-N -1 0 331.343 3.514 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc(C2CCCCC2)cc1)c1ccccn1 ZINC000739375171 601124650 /nfs/dbraw/zinc/12/46/50/601124650.db2.gz WAQFXBFLZMGSLA-GOSISDBHSA-N -1 0 338.407 3.685 20 0 EHADRM CCCCOc1ccc(C(=O)N(CC)c2ncc(C(=O)[O-])s2)cc1 ZINC000736999636 601125092 /nfs/dbraw/zinc/12/50/92/601125092.db2.gz UOSSGSGDENRHCJ-UHFFFAOYSA-N -1 0 348.424 3.687 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NCc2ccc(Cl)cc2Cl)C1 ZINC000183961159 601125691 /nfs/dbraw/zinc/12/56/91/601125691.db2.gz APIFLWAOKDPLQG-ZJUUUORDSA-N -1 0 330.211 3.501 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1 ZINC000739573953 601126068 /nfs/dbraw/zinc/12/60/68/601126068.db2.gz QOLKAUJCNPSYAI-QWHCGFSZSA-N -1 0 345.395 3.558 20 0 EHADRM COc1ccc([C@H](C)NC(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000325889186 601136572 /nfs/dbraw/zinc/13/65/72/601136572.db2.gz QFKDNCZIPTWVSD-LBPRGKRZSA-N -1 0 328.368 3.585 20 0 EHADRM O=C([O-])CN(C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(F)c1 ZINC000833242589 601141654 /nfs/dbraw/zinc/14/16/54/601141654.db2.gz PRLLWAIGGCHKRJ-GHMZBOCLSA-N -1 0 347.308 3.612 20 0 EHADRM O=C([O-])CN(C(=O)c1cc2c(cccc2F)s1)c1cccc(F)c1 ZINC000833245424 601143527 /nfs/dbraw/zinc/14/35/27/601143527.db2.gz WAVAMYAZGCSQFF-UHFFFAOYSA-N -1 0 347.342 3.911 20 0 EHADRM Cc1ccc(NC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1C(=O)[O-] ZINC000832947578 601145280 /nfs/dbraw/zinc/14/52/80/601145280.db2.gz SCQPMPGCHFTWCA-MNOVXSKESA-N -1 0 344.333 3.936 20 0 EHADRM O=C([O-])CN(C(=O)c1cc2sccc2s1)c1cccc(F)c1 ZINC000833245275 601145960 /nfs/dbraw/zinc/14/59/60/601145960.db2.gz ADKRQFKBFYAPAI-UHFFFAOYSA-N -1 0 335.381 3.833 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000833185387 601146752 /nfs/dbraw/zinc/14/67/52/601146752.db2.gz HBKWPMJSNMHORB-NWDGAFQWSA-N -1 0 348.399 3.779 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cccc(C(F)(F)F)c2F)c1 ZINC000238144157 601146938 /nfs/dbraw/zinc/14/69/38/601146938.db2.gz FPXDIMYEAXCYCW-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM CCN(C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1nc2ccccc2s1 ZINC000829591328 601147908 /nfs/dbraw/zinc/14/79/08/601147908.db2.gz RRNUTSQWSZJGCS-NWDGAFQWSA-N -1 0 332.425 3.540 20 0 EHADRM COc1ccc2cc(COC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)ccc2c1 ZINC000832504738 601149062 /nfs/dbraw/zinc/14/90/62/601149062.db2.gz VTQKLTXAMFFURR-SJORKVTESA-N -1 0 342.391 3.783 20 0 EHADRM COc1ccc2cc(COC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)ccc2c1 ZINC000832504736 601149163 /nfs/dbraw/zinc/14/91/63/601149163.db2.gz VTQKLTXAMFFURR-IAGOWNOFSA-N -1 0 342.391 3.783 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N(Cc2ccccc2)c2ccccn2)C1 ZINC000833184941 601149224 /nfs/dbraw/zinc/14/92/24/601149224.db2.gz IYWPRIJBRSHVKR-IRXDYDNUSA-N -1 0 338.407 3.506 20 0 EHADRM C[C@@H]1CCN(C(=O)NC2CCC(C(=O)[O-])CC2)[C@@H]1c1cccc(F)c1 ZINC000263514240 601149810 /nfs/dbraw/zinc/14/98/10/601149810.db2.gz ZUSMPPSKWADUNL-MIOCFURKSA-N -1 0 348.418 3.562 20 0 EHADRM CC[C@H](Oc1ccccc1Cl)C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000829014909 601151793 /nfs/dbraw/zinc/15/17/93/601151793.db2.gz TXDGVVAZDJAUBJ-HNNXBMFYSA-N -1 0 347.798 3.859 20 0 EHADRM O=C([O-])CN(C(=O)c1ccccc1C(F)(F)F)c1cccc(F)c1 ZINC000833245545 601153361 /nfs/dbraw/zinc/15/33/61/601153361.db2.gz BFKPMQDOEUEULU-UHFFFAOYSA-N -1 0 341.260 3.576 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(C(F)F)cc1)c1ccccc1 ZINC000826044365 601167047 /nfs/dbraw/zinc/16/70/47/601167047.db2.gz FYMVBZRLTGKKPM-IAQYHMDHSA-N -1 0 333.334 3.816 20 0 EHADRM Cc1ccc(CCCC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])s1 ZINC000237498724 601168058 /nfs/dbraw/zinc/16/80/58/601168058.db2.gz WPNKVOPQKWNUMQ-KBXCAEBGSA-N -1 0 345.464 3.957 20 0 EHADRM Cc1cccc2cc(C(=O)N[C@H](c3ccccc3)[C@@H](C)C(=O)[O-])oc21 ZINC000486043821 601169428 /nfs/dbraw/zinc/16/94/28/601169428.db2.gz WZRCRZACKJLEDC-DYVFJYSZSA-N -1 0 337.375 3.933 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1cc2occc2s1)c1ccccc1 ZINC000826039126 601171349 /nfs/dbraw/zinc/17/13/49/601171349.db2.gz NDLSVZDBKOBQST-BONVTDFDSA-N -1 0 329.377 3.686 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)OCc2csc(C3CCCC3)n2)C1 ZINC000833187454 601185991 /nfs/dbraw/zinc/18/59/91/601185991.db2.gz KGNUPLURKBAMJV-OLZOCXBDSA-N -1 0 337.441 3.735 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)NC2(CC(=O)[O-])CCCCC2)cc1C ZINC000767057588 601186094 /nfs/dbraw/zinc/18/60/94/601186094.db2.gz FQVSZADGUMEAOW-UHFFFAOYSA-N -1 0 345.439 3.560 20 0 EHADRM O=C([O-])c1ccc(C(=O)OCc2ncc(-c3cccc(F)c3)o2)cc1 ZINC000833311865 601188406 /nfs/dbraw/zinc/18/84/06/601188406.db2.gz GROQVOHVQVHYCY-UHFFFAOYSA-N -1 0 341.294 3.536 20 0 EHADRM Cc1c(C(=O)O[C@H](C(=O)[O-])c2ccccc2F)cnc2ccccc12 ZINC000832854365 601189004 /nfs/dbraw/zinc/18/90/04/601189004.db2.gz WJCQBAMRNGGHGM-KRWDZBQOSA-N -1 0 339.322 3.665 20 0 EHADRM C[C@H](OC(=O)c1cc(N)cc(Cl)c1Cl)c1ccc(C(=O)[O-])o1 ZINC000827844626 601189873 /nfs/dbraw/zinc/18/98/73/601189873.db2.gz SCACRQRFJMLQOP-LURJTMIESA-N -1 0 344.150 3.785 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)c1cnc2ccccc2c1C ZINC000825941779 601206543 /nfs/dbraw/zinc/20/65/43/601206543.db2.gz BTOBAMQJXNRPLN-UHFFFAOYSA-N -1 0 349.342 3.663 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2cc(-c3cccc(Cl)c3)[nH]n2)C1 ZINC000833185718 601210076 /nfs/dbraw/zinc/21/00/76/601210076.db2.gz ILTAVNZVKBTTBT-VXGBXAGGSA-N -1 0 347.802 3.560 20 0 EHADRM Cc1ccc(S(=O)(=O)Oc2ccccc2NC(=O)[O-])cc1Cl ZINC000832956594 601226817 /nfs/dbraw/zinc/22/68/17/601226817.db2.gz KSEJDYHBCIXRFO-UHFFFAOYSA-N -1 0 341.772 3.506 20 0 EHADRM COCc1nc2cc(N[C@H](C(=O)[O-])c3cccc(Cl)c3)ccc2o1 ZINC000831832144 601229496 /nfs/dbraw/zinc/22/94/96/601229496.db2.gz VZBZNSPNMPRLSR-INIZCTEOSA-N -1 0 346.770 3.865 20 0 EHADRM O=C([O-])c1sc(N(Cc2ccco2)Cc2ccco2)nc1Cl ZINC000833346140 601248288 /nfs/dbraw/zinc/24/82/88/601248288.db2.gz JEZSWJWQPPSXAC-UHFFFAOYSA-N -1 0 338.772 3.888 20 0 EHADRM Cc1nc2ccccc2nc1CNc1ccc(F)c(NC(=O)[O-])c1 ZINC000833006810 601249848 /nfs/dbraw/zinc/24/98/48/601249848.db2.gz VTJOAWGYGSGTKV-UHFFFAOYSA-N -1 0 326.331 3.779 20 0 EHADRM CC(C)[C@@H](CNc1nc(Cl)c(C(=O)[O-])s1)c1cccnc1 ZINC000826686990 601254594 /nfs/dbraw/zinc/25/45/94/601254594.db2.gz DXRSBEXPZVNPSL-SNVBAGLBSA-N -1 0 325.821 3.741 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)[C@@H]2CC23CCCC3)c1 ZINC000262368932 601269403 /nfs/dbraw/zinc/26/94/03/601269403.db2.gz FRRHOVYJAYUQOC-HNNXBMFYSA-N -1 0 333.453 3.913 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1ccc(-c2cccnc2)cc1 ZINC000191646080 601270829 /nfs/dbraw/zinc/27/08/29/601270829.db2.gz ZPSBLKUNYQRULV-CQSZACIVSA-N -1 0 346.386 3.938 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1ccc(-c2cccnc2)cc1 ZINC000191646061 601270878 /nfs/dbraw/zinc/27/08/78/601270878.db2.gz ZPSBLKUNYQRULV-AWEZNQCLSA-N -1 0 346.386 3.938 20 0 EHADRM CC(C)[C@H](NC(=O)c1cc(C2CC2)nc2ccc(Cl)cc21)C(=O)[O-] ZINC000236767921 601272440 /nfs/dbraw/zinc/27/24/40/601272440.db2.gz NNSOAIFPNGQHOT-INIZCTEOSA-N -1 0 346.814 3.605 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000829014133 601276981 /nfs/dbraw/zinc/27/69/81/601276981.db2.gz DGBVNVATFDXWSD-INIZCTEOSA-N -1 0 328.368 3.881 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C/C=C\c1cccc(F)c1)c1cccs1 ZINC000675951063 601277913 /nfs/dbraw/zinc/27/79/13/601277913.db2.gz PMTWENZUVTULAK-DQWBNOTDSA-N -1 0 333.384 3.623 20 0 EHADRM O=C([O-])c1cc(C(=O)Nc2ccccc2COc2ccccc2)ccn1 ZINC000238181490 601279682 /nfs/dbraw/zinc/27/96/82/601279682.db2.gz BOKBIMDZZLQDPE-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM O=C([O-])CCCCNC(=O)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000237919213 601280729 /nfs/dbraw/zinc/28/07/29/601280729.db2.gz LLKHNWAEPDPLCX-UHFFFAOYSA-N -1 0 346.814 3.750 20 0 EHADRM CCCN(C(=O)c1ccnc(C(=O)[O-])c1)[C@H](CC)c1ccccc1 ZINC000829452905 601280977 /nfs/dbraw/zinc/28/09/77/601280977.db2.gz KYEMOGVKBRATRR-QGZVFWFLSA-N -1 0 326.396 3.783 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)C/C=C/c1ccc(F)cc1)c1ccccc1 ZINC000139300528 601282732 /nfs/dbraw/zinc/28/27/32/601282732.db2.gz JIKUXIIVDFENIP-SHCNBLLESA-N -1 0 341.382 3.951 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000829014460 601285492 /nfs/dbraw/zinc/28/54/92/601285492.db2.gz IDJWSDAFFULRHR-KRWDZBQOSA-N -1 0 342.395 3.559 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)C/C=C/c2ccc(F)cc2)c2ccccc21 ZINC000833216166 601289674 /nfs/dbraw/zinc/28/96/74/601289674.db2.gz ITFPSKPTDHLCTA-BWPKMQGJSA-N -1 0 339.366 3.834 20 0 EHADRM COc1ccc(Cl)cc1C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832362493 601297285 /nfs/dbraw/zinc/29/72/85/601297285.db2.gz KJWXCPPOHDUADB-BZNIZROVSA-N -1 0 347.798 3.540 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)CCCc1cccs1)c1ccccc1 ZINC000237736419 601298935 /nfs/dbraw/zinc/29/89/35/601298935.db2.gz UQHKYBNRVHVEEJ-DYVFJYSZSA-N -1 0 331.437 3.649 20 0 EHADRM Cn1cc(NC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1C(=O)[O-] ZINC000833052373 601310554 /nfs/dbraw/zinc/31/05/54/601310554.db2.gz UYNBISXGQYVEII-UHFFFAOYSA-N -1 0 332.359 3.547 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)cc1 ZINC000833310614 601335816 /nfs/dbraw/zinc/33/58/16/601335816.db2.gz YDNDXYPAPUBAJR-KRWDZBQOSA-N -1 0 327.355 3.891 20 0 EHADRM COc1cccc(-c2nc(CS[C@H](C)C(=O)[O-])cs2)c1OC ZINC000739944183 601344493 /nfs/dbraw/zinc/34/44/93/601344493.db2.gz XEIAXTAQHADATD-SECBINFHSA-N -1 0 339.438 3.534 20 0 EHADRM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)NCCCCCCC(=O)[O-] ZINC000828149522 601361622 /nfs/dbraw/zinc/36/16/22/601361622.db2.gz LGBPWTJNNGNQGG-NVXWUHKLSA-N -1 0 332.444 3.609 20 0 EHADRM O=C([O-])c1cccc(OCc2noc(CCCc3cccs3)n2)c1 ZINC000833333160 601363862 /nfs/dbraw/zinc/36/38/62/601363862.db2.gz IQPUOCVIRBFYHG-UHFFFAOYSA-N -1 0 344.392 3.584 20 0 EHADRM CO[C@@H](C)c1nc(C)c(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)s1 ZINC000831494367 601380298 /nfs/dbraw/zinc/38/02/98/601380298.db2.gz ZIQYCKDBUMLRST-VIFPVBQESA-N -1 0 345.380 3.574 20 0 EHADRM C[C@@H]1CCC[C@@H](C)C1NC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000828234224 601381765 /nfs/dbraw/zinc/38/17/65/601381765.db2.gz WLHUCKGDMDJGOW-CHWSQXEVSA-N -1 0 333.432 3.743 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1cc(OC)c(Cl)cc1OC ZINC000830379366 601390274 /nfs/dbraw/zinc/39/02/74/601390274.db2.gz SWBNLQKFDJEJSW-UHFFFAOYSA-N -1 0 339.775 3.823 20 0 EHADRM CC(=O)N(Cc1ccc(NCc2cc(C(=O)[O-])oc2C)cc1)C(C)C ZINC000825823460 601390648 /nfs/dbraw/zinc/39/06/48/601390648.db2.gz RYQOHNUMGLVWSI-UHFFFAOYSA-N -1 0 344.411 3.655 20 0 EHADRM C[C@H](C(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccc(Cl)s1 ZINC000191059113 601391591 /nfs/dbraw/zinc/39/15/91/601391591.db2.gz XEFZHGXADOVPAM-ZETCQYMHSA-N -1 0 327.764 3.981 20 0 EHADRM CSc1ccc(C)c(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000237316797 601391794 /nfs/dbraw/zinc/39/17/94/601391794.db2.gz BYQFGWFLNCLISL-GUYCJALGSA-N -1 0 343.448 3.909 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1 ZINC000828765000 601394630 /nfs/dbraw/zinc/39/46/30/601394630.db2.gz SJGUAEAHHYJMLV-ZDUSSCGKSA-N -1 0 343.379 3.580 20 0 EHADRM C/C(=C\C(=O)N[C@H](C(=O)[O-])c1cccs1)c1cccc(Cl)c1 ZINC000825716758 601396950 /nfs/dbraw/zinc/39/69/50/601396950.db2.gz OCQDYLYPTOEIDJ-HQPKTYMTSA-N -1 0 335.812 3.747 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CSc1nc2cc(Cl)cnc2[nH]1 ZINC000830394182 601404916 /nfs/dbraw/zinc/40/49/16/601404916.db2.gz APXRGFIVZFCVKT-UHFFFAOYSA-N -1 0 337.788 3.757 20 0 EHADRM Cc1cc(CSc2nc3sc(C)c(C)c3c(N)n2)oc1C(=O)[O-] ZINC000832884916 601406183 /nfs/dbraw/zinc/40/61/83/601406183.db2.gz CCIYYYCNHWJWFE-UHFFFAOYSA-N -1 0 349.437 3.782 20 0 EHADRM COC1CCC(CNc2nc(C)nc3sc(C(=O)[O-])c(C)c32)CC1 ZINC000519779969 601410288 /nfs/dbraw/zinc/41/02/88/601410288.db2.gz VWQCTQXXEZRGMS-UHFFFAOYSA-N -1 0 349.456 3.623 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N3C[C@H]4CCCC[C@@H]4C3)c12 ZINC000833001664 601410631 /nfs/dbraw/zinc/41/06/31/601410631.db2.gz PSUFHDUYBIIFBU-VXGBXAGGSA-N -1 0 331.441 3.633 20 0 EHADRM CCCN(C(=O)NCC1(C(=O)[O-])CCCC1)[C@H]1CCc2ccccc21 ZINC000829452654 601421461 /nfs/dbraw/zinc/42/14/61/601421461.db2.gz FTJUUMNFECKGSQ-KRWDZBQOSA-N -1 0 344.455 3.741 20 0 EHADRM C/C(=C/COC(=O)c1cnc(-c2ccc(C)cc2C)s1)C(=O)[O-] ZINC000825787207 601421657 /nfs/dbraw/zinc/42/16/57/601421657.db2.gz YIJFXKVEUXCOOZ-WDZFZDKYSA-N -1 0 331.393 3.615 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000830362476 601422941 /nfs/dbraw/zinc/42/29/41/601422941.db2.gz AFUDSIQHONJMCW-CZUORRHYSA-N -1 0 329.396 3.502 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CCC1 ZINC000262409517 601436604 /nfs/dbraw/zinc/43/66/04/601436604.db2.gz BEIGXTXOVGRRLX-GHMZBOCLSA-N -1 0 342.222 3.611 20 0 EHADRM Cc1oc(CS[C@@H](C)C(=O)Nc2cccc(F)c2)cc1C(=O)[O-] ZINC000833027960 601456410 /nfs/dbraw/zinc/45/64/10/601456410.db2.gz YTEYUTDYPGYQHY-JTQLQIEISA-N -1 0 337.372 3.686 20 0 EHADRM C[C@H](OC(=O)c1ncoc1-c1ccccc1)c1ccc(C(=O)[O-])o1 ZINC000827873855 601465614 /nfs/dbraw/zinc/46/56/14/601465614.db2.gz RDNXFBGWHOGHEJ-JTQLQIEISA-N -1 0 327.292 3.551 20 0 EHADRM O=C([O-])[C@H](OC(=O)C/C=C/c1ccc(F)cc1)c1ccccc1F ZINC000833096040 601470951 /nfs/dbraw/zinc/47/09/51/601470951.db2.gz GJZNEDOMXRWNQQ-REMYHPOOSA-N -1 0 332.302 3.737 20 0 EHADRM O=C([O-])[C@H](OC(=O)C/C=C\c1cccc(F)c1)c1ccccc1F ZINC000833095947 601472285 /nfs/dbraw/zinc/47/22/85/601472285.db2.gz FAXCZCBFMSIYNF-XQDHMALISA-N -1 0 332.302 3.737 20 0 EHADRM C[C@@H](CC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000262550530 601494848 /nfs/dbraw/zinc/49/48/48/601494848.db2.gz USVTYPHPDDMPEX-DJJJIMSYSA-N -1 0 341.382 3.530 20 0 EHADRM C[C@@H]1CC/C(=C/C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC000828200268 601498423 /nfs/dbraw/zinc/49/84/23/601498423.db2.gz DRBPEEURMDZWIW-KECPUOCWSA-N -1 0 328.412 3.670 20 0 EHADRM Cc1ccc(CNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c(OC(C)(C)C)c1 ZINC000180131297 601505141 /nfs/dbraw/zinc/50/51/41/601505141.db2.gz SAEJJHAUBSICPF-LSDHHAIUSA-N -1 0 347.455 3.680 20 0 EHADRM Cc1cc(C(=O)N(CC(C)C)C2CCCC2)cc(C)c1OCC(=O)[O-] ZINC000832860404 601532969 /nfs/dbraw/zinc/53/29/69/601532969.db2.gz VYOALNJMOSWLIK-UHFFFAOYSA-N -1 0 347.455 3.808 20 0 EHADRM Cc1cccc(N(C)C(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)c1C ZINC000832970416 601536045 /nfs/dbraw/zinc/53/60/45/601536045.db2.gz XHUVOEKBAPCOAA-UHFFFAOYSA-N -1 0 341.407 3.660 20 0 EHADRM Cc1ccnc(Oc2ccc(NC(=O)c3ccc(C(=O)[O-])cc3)cc2)n1 ZINC000821131025 601543450 /nfs/dbraw/zinc/54/34/50/601543450.db2.gz QDNQKRGYWHNWSN-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM C[C@@H]1CN(c2ncnc3sc(-c4ccccc4)cc32)C[C@H]1C(=O)[O-] ZINC000828499552 601562652 /nfs/dbraw/zinc/56/26/52/601562652.db2.gz CCGTUUFERDEUAS-BXUZGUMPSA-N -1 0 339.420 3.515 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)/C=C\SCc1ccco1 ZINC000833333530 601572091 /nfs/dbraw/zinc/57/20/91/601572091.db2.gz BWOPGCIKAXJOGB-FLIBITNWSA-N -1 0 343.404 3.704 20 0 EHADRM CC[C@@](NC(=O)/C=C/SCc1ccco1)(C(=O)[O-])c1ccccc1 ZINC000492831795 601572095 /nfs/dbraw/zinc/57/20/95/601572095.db2.gz BPDJCNLZTBPZDS-KSEUIEODSA-N -1 0 345.420 3.533 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)/C=C\SCc2ccco2)c2ccccc21 ZINC000833215548 601572429 /nfs/dbraw/zinc/57/24/29/601572429.db2.gz NMJABEZXYHPYEV-JWJUJFCLSA-N -1 0 343.404 3.632 20 0 EHADRM CCOc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)ccc1C ZINC000345754499 601581378 /nfs/dbraw/zinc/58/13/78/601581378.db2.gz VVNVOAANJSPMNA-MRXNPFEDSA-N -1 0 347.798 3.603 20 0 EHADRM C[C@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccccc1F ZINC000345850999 601582756 /nfs/dbraw/zinc/58/27/56/601582756.db2.gz PCQYRQJCCXGBEK-PIGZYNQJSA-N -1 0 349.789 3.915 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc(F)cc1Cl)c1ccc(Cl)cc1 ZINC000833126662 601583038 /nfs/dbraw/zinc/58/30/38/601583038.db2.gz ZMLJBULRUUPHGE-CYBMUJFWSA-N -1 0 342.153 3.688 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)N[C@@H](c2ccccc2F)C2CCCC2)C1 ZINC000263210641 601586016 /nfs/dbraw/zinc/58/60/16/601586016.db2.gz IRSSSJWPVQMYJO-WMLDXEAASA-N -1 0 348.418 3.563 20 0 EHADRM O=C([O-])C1(CNC(=O)C2CCC(c3ccccc3)CC2)CCCC1 ZINC000676025051 601601925 /nfs/dbraw/zinc/60/19/25/601601925.db2.gz ITWBPYNRCVDIDG-UHFFFAOYSA-N -1 0 329.440 3.722 20 0 EHADRM O=C([O-])[C@H](OC(=O)C[C@H]1CCCCO1)c1ccc(Cl)cc1Cl ZINC000833094604 601605372 /nfs/dbraw/zinc/60/53/72/601605372.db2.gz XHZZPNSOOOWQKF-QMTHXVAHSA-N -1 0 347.194 3.622 20 0 EHADRM O=C([O-])c1sc2ccccc2c1COC(=O)C[C@H]1CCCCO1 ZINC000833094254 601606138 /nfs/dbraw/zinc/60/61/38/601606138.db2.gz TZISWDGYKYTARH-LLVKDONJSA-N -1 0 334.393 3.602 20 0 EHADRM CCC[C@@H](NC(=O)CNc1cc(C(=O)[O-])ccc1C)c1ccccc1 ZINC000829223600 601611559 /nfs/dbraw/zinc/61/15/59/601611559.db2.gz UNRLKURNQHAZBN-QGZVFWFLSA-N -1 0 340.423 3.763 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c(C)c1 ZINC000832946560 601614824 /nfs/dbraw/zinc/61/48/24/601614824.db2.gz IWHPORDCCQJFNA-RHSMWYFYSA-N -1 0 326.396 3.887 20 0 EHADRM Cc1ccc(Oc2ccccc2NC(=O)NC[C@H](C)C(=O)[O-])cc1 ZINC000832953320 601615962 /nfs/dbraw/zinc/61/59/62/601615962.db2.gz HEKBMQJREGUZJZ-ZDUSSCGKSA-N -1 0 328.368 3.630 20 0 EHADRM CC(C)Cc1ccc(CC(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000262523330 601617590 /nfs/dbraw/zinc/61/75/90/601617590.db2.gz RCOQBOCMSLZTET-UHFFFAOYSA-N -1 0 325.408 3.693 20 0 EHADRM O=C([O-])C[C@H](NC(=O)/C=C/c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000013173821 601618689 /nfs/dbraw/zinc/61/86/89/601618689.db2.gz STNWZNXIWYPCDD-UFNQUYMESA-N -1 0 347.773 3.825 20 0 EHADRM Cc1ccccc1CCC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000262069376 601622124 /nfs/dbraw/zinc/62/21/24/601622124.db2.gz CCHNKSUIWVHUIR-KRWDZBQOSA-N -1 0 345.826 3.913 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)Nc1cccc2[nH]ccc21)c1ccccc1 ZINC000826039718 601622359 /nfs/dbraw/zinc/62/23/59/601622359.db2.gz XZFODHYYYWZIIL-SJCJKPOMSA-N -1 0 337.379 3.751 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1c(F)cccc1Cl ZINC000827622147 601622553 /nfs/dbraw/zinc/62/25/53/601622553.db2.gz HJRSNXRLCZIGCN-GARJFASQSA-N -1 0 327.783 3.547 20 0 EHADRM COc1ccc(NC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c(C)c1 ZINC000832399089 601623305 /nfs/dbraw/zinc/62/33/05/601623305.db2.gz YPAHPEZSBLJZRM-DYVFJYSZSA-N -1 0 342.395 3.587 20 0 EHADRM O=C([O-])c1ccc(CSc2nnc(-c3ccccc3)o2)cc1F ZINC000833317186 601623723 /nfs/dbraw/zinc/62/37/23/601623723.db2.gz NDIRCDXFNIDAAA-UHFFFAOYSA-N -1 0 330.340 3.866 20 0 EHADRM CCc1nc(NC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])sc1C ZINC000830318073 601627341 /nfs/dbraw/zinc/62/73/41/601627341.db2.gz MCWNOPIKFBLFBK-YGRLFVJLSA-N -1 0 347.440 3.597 20 0 EHADRM C/C(=C/C(=O)N1CCCC[C@@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000128615955 601627792 /nfs/dbraw/zinc/62/77/92/601627792.db2.gz MROJJBXRIDHBKI-IWMPZKFUSA-N -1 0 341.329 3.574 20 0 EHADRM C[C@H](CSc1ccc(F)cc1)C(=O)Oc1ccccc1C(=O)[O-] ZINC000827580374 601641015 /nfs/dbraw/zinc/64/10/15/601641015.db2.gz BCWYPIWCIDRNJJ-LLVKDONJSA-N -1 0 334.368 3.858 20 0 EHADRM CCCCC[C@H](NC(=O)Cc1c(C)nc2ccccc2c1C)C(=O)[O-] ZINC000236652320 601641356 /nfs/dbraw/zinc/64/13/56/601641356.db2.gz LZNWVPZXXSBWKD-SFHVURJKSA-N -1 0 342.439 3.544 20 0 EHADRM CCCCC[C@@H](NC(=O)Cc1c[nH]c2cc(Cl)ccc12)C(=O)[O-] ZINC000236820279 601641674 /nfs/dbraw/zinc/64/16/74/601641674.db2.gz JTNNWZVGUBJEFP-CQSZACIVSA-N -1 0 336.819 3.514 20 0 EHADRM CCCCC[C@H](NC(=O)c1cccc(-c2csc(C)n2)c1)C(=O)[O-] ZINC000236680943 601641932 /nfs/dbraw/zinc/64/19/32/601641932.db2.gz DTURKXLBEWNXSY-HNNXBMFYSA-N -1 0 346.452 3.882 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)CCCc1csc2ccccc12)C(=O)[O-] ZINC000237029057 601648960 /nfs/dbraw/zinc/64/89/60/601648960.db2.gz AJSMZUZPQCGFAM-SJKOYZFVSA-N -1 0 333.453 3.840 20 0 EHADRM Cc1ccc2c(c1)sc(C(=O)N1CC[C@@](F)(C(=O)[O-])C1)c2Cl ZINC000832961623 601651119 /nfs/dbraw/zinc/65/11/19/601651119.db2.gz HXHJEPGOHSAWQF-HNNXBMFYSA-N -1 0 341.791 3.502 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CSc1nc2cc(Cl)cnc2[nH]1 ZINC000833030847 601669649 /nfs/dbraw/zinc/66/96/49/601669649.db2.gz DGHZSWNGDMDSPI-UHFFFAOYSA-N -1 0 339.829 3.972 20 0 EHADRM CC[C@@H](C)c1ccc(C(=O)Nc2nnc(CCCC(=O)[O-])s2)cc1 ZINC000828763759 601680894 /nfs/dbraw/zinc/68/08/94/601680894.db2.gz BATQGFFGAXTMSM-LLVKDONJSA-N -1 0 347.440 3.711 20 0 EHADRM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)NCC(C)(C)C(=O)[O-] ZINC000827928316 601681575 /nfs/dbraw/zinc/68/15/75/601681575.db2.gz GCPCLXLHEDRJLF-VIFPVBQESA-N -1 0 347.242 3.807 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000832850111 601696327 /nfs/dbraw/zinc/69/63/27/601696327.db2.gz CALOLPFTBZITND-ZBEGNZNMSA-N -1 0 337.375 3.687 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)N2C[C@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000832905620 601697503 /nfs/dbraw/zinc/69/75/03/601697503.db2.gz DNAMGVBSLVPCRT-SWLSCSKDSA-N -1 0 329.421 3.516 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1ccc(C(F)(F)F)nc1 ZINC000833032721 601718965 /nfs/dbraw/zinc/71/89/65/601718965.db2.gz GVMMNZGWQHCOEC-UHFFFAOYSA-N -1 0 345.298 3.526 20 0 EHADRM C/C(=C/C(=O)OCc1ccc(C(=O)[O-])c(F)c1)c1ccc(F)cc1 ZINC000825723984 601725476 /nfs/dbraw/zinc/72/54/76/601725476.db2.gz GGRQWVWEVNYXKK-FLIBITNWSA-N -1 0 332.302 3.810 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CC(Cc3ccccc3)C2)cc1Cl ZINC000833320395 601725552 /nfs/dbraw/zinc/72/55/52/601725552.db2.gz UVMHGGIIMXVVCK-UHFFFAOYSA-N -1 0 344.798 3.745 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2)c2ccccc2S1 ZINC000828394941 601726271 /nfs/dbraw/zinc/72/62/71/601726271.db2.gz UMRLXCWRWLOSOD-NSHDSACASA-N -1 0 328.393 3.918 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2coc(-c3ccccc3)n2)cc1F ZINC000833353618 601730198 /nfs/dbraw/zinc/73/01/98/601730198.db2.gz YCWWERANWBIIDL-UHFFFAOYSA-N -1 0 341.294 3.536 20 0 EHADRM COc1cccc(/C(C)=C\C(=O)OCc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000832528814 601734056 /nfs/dbraw/zinc/73/40/56/601734056.db2.gz RLQFEPAOVYGBML-WQLSENKSSA-N -1 0 344.338 3.679 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2cc(F)ccc2s1)c1ccccc1F ZINC000678986680 601744313 /nfs/dbraw/zinc/74/43/13/601744313.db2.gz RBLDONRTFOWGFP-HNNXBMFYSA-N -1 0 347.342 3.735 20 0 EHADRM CC(C)=C[C@H]1[C@H](C(=O)Nc2nc(CCCC(=O)[O-])cs2)C1(C)C ZINC000826647281 601746671 /nfs/dbraw/zinc/74/66/71/601746671.db2.gz CAWPBJWMTNVDQT-GXTWGEPZSA-N -1 0 336.457 3.727 20 0 EHADRM CCCCC[C@@H](NC(=O)c1[nH]c2ccc(F)cc2c1Cl)C(=O)[O-] ZINC000776664865 601747590 /nfs/dbraw/zinc/74/75/90/601747590.db2.gz ZCTNEBVEXMLJNX-GFCCVEGCSA-N -1 0 340.782 3.724 20 0 EHADRM CC[C@@H]1CC[C@H](C(=O)O[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)O1 ZINC000829081096 601747766 /nfs/dbraw/zinc/74/77/66/601747766.db2.gz KBVXMASLJGLRRG-OASPWFOLSA-N -1 0 347.194 3.620 20 0 EHADRM Cc1c(C(=O)N[C@@H](C(=O)[O-])C2CCCCC2)sc2nccc(C)c12 ZINC000832984733 601754386 /nfs/dbraw/zinc/75/43/86/601754386.db2.gz FOIZYAALXYTWLF-CQSZACIVSA-N -1 0 346.452 3.676 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cnc(-c2ccccc2)s1)C1CCCCC1 ZINC000833124242 601756054 /nfs/dbraw/zinc/75/60/54/601756054.db2.gz ULAMYZPVSXIFCX-HNNXBMFYSA-N -1 0 344.436 3.573 20 0 EHADRM CSCc1cc(F)ccc1CNC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000832770904 601779258 /nfs/dbraw/zinc/77/92/58/601779258.db2.gz MQIDOFGWMKPSMQ-UHFFFAOYSA-N -1 0 348.399 3.709 20 0 EHADRM CN(C)C(=O)Sc1cccc(CNc2ccc(C(=O)[O-])cc2)c1 ZINC000830569286 601786506 /nfs/dbraw/zinc/78/65/06/601786506.db2.gz LKDIWRYTHMZCKO-UHFFFAOYSA-N -1 0 330.409 3.771 20 0 EHADRM CN(C)C(=O)Sc1ccc(CNc2ccccc2C(=O)[O-])cc1 ZINC000830563025 601787213 /nfs/dbraw/zinc/78/72/13/601787213.db2.gz BLOMLXMTIZHAGZ-UHFFFAOYSA-N -1 0 330.409 3.771 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccccc3)c2)C[C@@H]1C(=O)[O-] ZINC000327620464 601788589 /nfs/dbraw/zinc/78/85/89/601788589.db2.gz OEQQBCGEQPCJPZ-DYVFJYSZSA-N -1 0 340.379 3.663 20 0 EHADRM C[C@]1(c2ccccc2)CCN(C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000828127645 601791663 /nfs/dbraw/zinc/79/16/63/601791663.db2.gz HGRSEFCGTDNSGY-IBGZPJMESA-N -1 0 342.370 3.719 20 0 EHADRM C[C@@H](C(=O)Nc1ncc(C(=O)[O-])s1)c1ccc2ccccc2c1 ZINC000826026073 601800223 /nfs/dbraw/zinc/80/02/23/601800223.db2.gz KIXOBTYUTXVXLX-SNVBAGLBSA-N -1 0 326.377 3.737 20 0 EHADRM CC(C)CNc1nnc(SCc2ccsc2C(=O)[O-])s1 ZINC000826891084 601808514 /nfs/dbraw/zinc/80/85/14/601808514.db2.gz HBWWZQYOCNDSJR-UHFFFAOYSA-N -1 0 329.472 3.658 20 0 EHADRM O=C([O-])c1c(C2CC2)csc1NC(=O)[C@@H]1COc2ccccc2C1 ZINC000738668691 601808715 /nfs/dbraw/zinc/80/87/15/601808715.db2.gz DZKMLZHUNJGRHG-LBPRGKRZSA-N -1 0 343.404 3.514 20 0 EHADRM C[C@H](SCc1ccc(C(=O)[O-])c(F)c1)C(=O)N1CCCCCC1 ZINC000827909503 601814059 /nfs/dbraw/zinc/81/40/59/601814059.db2.gz XZGKGZYXAVFYRE-LBPRGKRZSA-N -1 0 339.432 3.548 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000050922335 601814958 /nfs/dbraw/zinc/81/49/58/601814958.db2.gz UDFHFTBGAMQABA-UHFFFAOYSA-N -1 0 330.211 3.710 20 0 EHADRM COc1ccc(C(=O)N2CCC(CCC(=O)[O-])CC2)c2ccccc12 ZINC000538583947 601814960 /nfs/dbraw/zinc/81/49/60/601814960.db2.gz OGOVUJXGFVKLHT-UHFFFAOYSA-N -1 0 341.407 3.565 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2cc(Cl)nc3ccccc32)CC1 ZINC000326451477 601819761 /nfs/dbraw/zinc/81/97/61/601819761.db2.gz OGKMTAPWBLTFTM-UHFFFAOYSA-N -1 0 346.814 3.605 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000659393101 601824197 /nfs/dbraw/zinc/82/41/97/601824197.db2.gz QKLGJAZTWXNKBT-BRWVUGGUSA-N -1 0 336.476 3.632 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)NCc2cccc3ccccc32)CC1 ZINC000327331461 601825806 /nfs/dbraw/zinc/82/58/06/601825806.db2.gz CTGNWNYIAVDYDV-UHFFFAOYSA-N -1 0 340.423 3.626 20 0 EHADRM O=C([O-])CCC1CCN(Cc2csc(Br)c2)CC1 ZINC000050926535 601840127 /nfs/dbraw/zinc/84/01/27/601840127.db2.gz GYVJJLFNYUNBBY-UHFFFAOYSA-N -1 0 332.263 3.587 20 0 EHADRM C[C@H](SCc1ccc(C(=O)[O-])s1)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000827909115 601846754 /nfs/dbraw/zinc/84/67/54/601846754.db2.gz RYENFYNQMSRWLY-GVXVVHGQSA-N -1 0 341.498 3.763 20 0 EHADRM C[C@@H](SCc1ccc(C(=O)[O-])s1)C(=O)N[C@H](C)c1ccccc1 ZINC000827907973 601846771 /nfs/dbraw/zinc/84/67/71/601846771.db2.gz DLZLITIOWYZUEH-VXGBXAGGSA-N -1 0 349.477 3.945 20 0 EHADRM Cc1ccc(NC(=O)CSCc2ccc(C(=O)[O-])s2)c(C)c1 ZINC000832943678 601847091 /nfs/dbraw/zinc/84/70/91/601847091.db2.gz CJGMIUIVRCDRGO-UHFFFAOYSA-N -1 0 335.450 3.935 20 0 EHADRM COc1cccc2c1CC[C@@H]2NC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000832573571 601860160 /nfs/dbraw/zinc/86/01/60/601860160.db2.gz WMGKCOJJZUAZGQ-HNNXBMFYSA-N -1 0 340.379 3.511 20 0 EHADRM Cc1cc(F)c(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)cc1F ZINC000237654511 601862213 /nfs/dbraw/zinc/86/22/13/601862213.db2.gz KXLWHLPHGLRGEW-UHFFFAOYSA-N -1 0 349.333 3.769 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)c2cnc3ccsc3c2)cc1 ZINC000833264686 601873160 /nfs/dbraw/zinc/87/31/60/601873160.db2.gz UOKODRRROHPHIC-UHFFFAOYSA-N -1 0 345.401 3.692 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCC2(Cc3ccccc3)CCC2)s1 ZINC000238008192 601884687 /nfs/dbraw/zinc/88/46/87/601884687.db2.gz WONZNPBNASQCSX-UHFFFAOYSA-N -1 0 329.421 3.589 20 0 EHADRM O=C([O-])c1ccc(COc2nc(-c3ccccc3Cl)no2)s1 ZINC000833314117 601894152 /nfs/dbraw/zinc/89/41/52/601894152.db2.gz CAGPZOQLGAJTMV-UHFFFAOYSA-N -1 0 336.756 3.729 20 0 EHADRM CC[C@H](S[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000829020615 601896579 /nfs/dbraw/zinc/89/65/79/601896579.db2.gz IABKVOUDYALHCW-BBRMVZONSA-N -1 0 335.469 3.583 20 0 EHADRM CN(Cc1ccc(F)cc1F)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830825474 601905296 /nfs/dbraw/zinc/90/52/96/601905296.db2.gz YETHZJNHRGSLFP-HNNXBMFYSA-N -1 0 345.267 3.640 20 0 EHADRM CC(C)OCc1ccc(C(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])cc1 ZINC000262053394 601908902 /nfs/dbraw/zinc/90/89/02/601908902.db2.gz CDUWULVUYDWANL-MSOLQXFVSA-N -1 0 347.455 3.765 20 0 EHADRM O=C([O-])N[C@H](C(=O)NCc1cc2ccccc2s1)c1ccccc1 ZINC000740692221 601911089 /nfs/dbraw/zinc/91/10/89/601911089.db2.gz HGCFXJFDYAENSA-INIZCTEOSA-N -1 0 340.404 3.526 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)Nc2ccsc2)cc1 ZINC000832777620 601916394 /nfs/dbraw/zinc/91/63/94/601916394.db2.gz UWSCXEXPQKUEND-CYBMUJFWSA-N -1 0 336.438 3.808 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)C2(c3ccccc3F)CCCC2)c1 ZINC000531744674 601921682 /nfs/dbraw/zinc/92/16/82/601921682.db2.gz RKGOIHYWEWWXAD-UHFFFAOYSA-N -1 0 341.382 3.652 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)c1 ZINC000238064715 601925157 /nfs/dbraw/zinc/92/51/57/601925157.db2.gz OBUJZGTYXQOTOV-WOJBJXKFSA-N -1 0 345.398 3.958 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000236705550 601925186 /nfs/dbraw/zinc/92/51/86/601925186.db2.gz JQHPEQPITZOJFZ-SFHVURJKSA-N -1 0 325.408 3.516 20 0 EHADRM CC[C@H](NC(=O)[O-])C(=O)N(CC)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000739521939 601928541 /nfs/dbraw/zinc/92/85/41/601928541.db2.gz XWFAMABQGHUFCX-GWCFXTLKSA-N -1 0 346.349 3.661 20 0 EHADRM CCc1[nH]c(C(=O)N2CC(C)(C)c3ccccc32)c(C)c1C(=O)[O-] ZINC000830183126 601931213 /nfs/dbraw/zinc/93/12/13/601931213.db2.gz BGOUIDOJKKVGAX-UHFFFAOYSA-N -1 0 326.396 3.522 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@@H](NC(=O)[O-])c2ccccc2)c(F)c1 ZINC000738864128 601939833 /nfs/dbraw/zinc/93/98/33/601939833.db2.gz IKUGHLYGQJXIAP-INIZCTEOSA-N -1 0 346.358 3.560 20 0 EHADRM CC[C@H](NC(=O)[O-])C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000739531854 601960487 /nfs/dbraw/zinc/96/04/87/601960487.db2.gz XMSRXMSHXBLBSS-ZETCQYMHSA-N -1 0 338.763 3.639 20 0 EHADRM CO[C@@H](CNC(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1Cl ZINC000831520154 601983272 /nfs/dbraw/zinc/98/32/72/601983272.db2.gz WEUWPZKXYSCWIT-HNNXBMFYSA-N -1 0 348.786 3.547 20 0 EHADRM CC(C)CCC1CCN(C(=O)Nc2ccc(OCC(=O)[O-])cc2)CC1 ZINC000826844561 601987186 /nfs/dbraw/zinc/98/71/86/601987186.db2.gz ANKFFWCYMCUTCH-UHFFFAOYSA-N -1 0 348.443 3.830 20 0 EHADRM Cc1cccc(OCCCCC(=O)Nc2ccc(NC(=O)[O-])nc2)c1 ZINC000740172394 601990195 /nfs/dbraw/zinc/99/01/95/601990195.db2.gz IWJCOASIGKOGFP-UHFFFAOYSA-N -1 0 343.383 3.668 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000263468150 601994305 /nfs/dbraw/zinc/99/43/05/601994305.db2.gz GVESPULFBZVTSA-HNNXBMFYSA-N -1 0 342.848 3.781 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(NC(=O)[O-])nc2)c2ccccc12 ZINC000739880288 601995668 /nfs/dbraw/zinc/99/56/68/601995668.db2.gz AEQCPJADUXUBSC-UHFFFAOYSA-N -1 0 337.335 3.586 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2cccc(Cl)c2F)ccc1F ZINC000833283085 601995940 /nfs/dbraw/zinc/99/59/40/601995940.db2.gz NWDTZIWNRGMVBP-UHFFFAOYSA-N -1 0 326.686 3.960 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)c2cccc3cc[nH]c32)cc1 ZINC000833264033 601998476 /nfs/dbraw/zinc/99/84/76/601998476.db2.gz CRRBFNPHEXOVST-UHFFFAOYSA-N -1 0 327.361 3.564 20 0 EHADRM Cn1cc(C(=O)Oc2ccc(SCC(=O)[O-])cc2)c2ccccc21 ZINC000833042306 602000001 /nfs/dbraw/zinc/00/00/01/602000001.db2.gz MDFJJBSLJRBCJN-UHFFFAOYSA-N -1 0 341.388 3.574 20 0 EHADRM O=C([O-])c1ccc(COC(=O)Cc2ccc(C(F)(F)F)cc2)s1 ZINC000833116956 602000029 /nfs/dbraw/zinc/00/00/29/602000029.db2.gz KODDVLVQKKHVIB-UHFFFAOYSA-N -1 0 344.310 3.751 20 0 EHADRM C[C@@H]1CC[C@@H](CC(=O)N(C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)C1 ZINC000828221163 602000108 /nfs/dbraw/zinc/00/01/08/602000108.db2.gz IQNWYNCTEPRUIR-XIZWVBILSA-N -1 0 343.345 3.514 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cc(F)c(F)cc2Cl)s1 ZINC000833315859 602001661 /nfs/dbraw/zinc/00/16/61/602001661.db2.gz IDAKHTDESSVMAQ-UHFFFAOYSA-N -1 0 332.711 3.735 20 0 EHADRM C[C@@H](Oc1ccccc1Cl)C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000827902865 602001961 /nfs/dbraw/zinc/00/19/61/602001961.db2.gz WHYKRGBAKOLTOD-SECBINFHSA-N -1 0 340.784 3.610 20 0 EHADRM Cc1ccc2c(CC(=O)OCc3ccc(C(=O)[O-])s3)c[nH]c2c1 ZINC000832959151 602006630 /nfs/dbraw/zinc/00/66/30/602006630.db2.gz CUNXLNNAXCQKFF-UHFFFAOYSA-N -1 0 329.377 3.522 20 0 EHADRM Cc1cccc2c(CC(=O)OCc3ccc(C(=O)[O-])s3)c[nH]c21 ZINC000832976050 602011222 /nfs/dbraw/zinc/01/12/22/602011222.db2.gz KGGYHECIZOICPT-UHFFFAOYSA-N -1 0 329.377 3.522 20 0 EHADRM C[C@@H](OC(=O)c1cncc(-c2ccccc2)c1)c1ccc(C(=O)[O-])o1 ZINC000827868259 602015365 /nfs/dbraw/zinc/01/53/65/602015365.db2.gz UMJCQNGQUIOPHE-GFCCVEGCSA-N -1 0 337.331 3.958 20 0 EHADRM CCN(C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1)C1CCC1 ZINC000829601938 602015633 /nfs/dbraw/zinc/01/56/33/602015633.db2.gz FSTAMVGTTJRAGQ-UHFFFAOYSA-N -1 0 330.306 3.810 20 0 EHADRM C[C@@H]1C[C@@H](C)N(C(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000828168375 602017267 /nfs/dbraw/zinc/01/72/67/602017267.db2.gz OLLDQARRYCKXHE-RKDXNWHRSA-N -1 0 330.306 3.666 20 0 EHADRM CCC[C@H]1C[C@H]1NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000829256421 602023622 /nfs/dbraw/zinc/02/36/22/602023622.db2.gz OWPKRRWMQAGHGK-QPUJVOFHSA-N -1 0 330.306 3.714 20 0 EHADRM Cc1cc(N(C)C)ccc1NC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000832888055 602030646 /nfs/dbraw/zinc/03/06/46/602030646.db2.gz CSWQGGIIBOUYNU-NVXWUHKLSA-N -1 0 347.459 3.606 20 0 EHADRM CC(C)OCc1cccc(NC(=O)NCc2cccc(C(=O)[O-])c2)c1 ZINC000827033243 602035547 /nfs/dbraw/zinc/03/55/47/602035547.db2.gz AEJYJTSHDQYIJL-UHFFFAOYSA-N -1 0 342.395 3.632 20 0 EHADRM CN(Cc1ccc(NC(=O)NCC2(C)CCCCC2)cc1)C(=O)[O-] ZINC000830836089 602042323 /nfs/dbraw/zinc/04/23/23/602042323.db2.gz QJKIVISVSVDBGB-UHFFFAOYSA-N -1 0 333.432 3.888 20 0 EHADRM C[C@H](NC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000263124206 602055885 /nfs/dbraw/zinc/05/58/85/602055885.db2.gz YGIIRGSMMXAJMA-VFZGTOFNSA-N -1 0 345.226 3.561 20 0 EHADRM C[C@@H](NC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1cc(Cl)ccc1Cl ZINC000263098905 602065616 /nfs/dbraw/zinc/06/56/16/602065616.db2.gz WGJIUOGUNRZQQG-RFAUZJTJSA-N -1 0 345.226 3.561 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2ccc(Oc3cccnc3)cc2)c1 ZINC000428088572 602066603 /nfs/dbraw/zinc/06/66/03/602066603.db2.gz DCCNFHNAQKVFGZ-UHFFFAOYSA-N -1 0 348.358 3.753 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2cc(Cl)cc3cccnc32)c1 ZINC000428093901 602070907 /nfs/dbraw/zinc/07/09/07/602070907.db2.gz TYQUPXVRANCKCL-UHFFFAOYSA-N -1 0 340.766 3.768 20 0 EHADRM Cc1ccc(SCCC(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000237771455 602071209 /nfs/dbraw/zinc/07/12/09/602071209.db2.gz GRCCHRQDWLJVKY-UHFFFAOYSA-N -1 0 329.421 3.743 20 0 EHADRM Cc1coc(-c2cc(NC(=O)c3ccc(C(=O)[O-])cc3)ccc2C)n1 ZINC000832988145 602073482 /nfs/dbraw/zinc/07/34/82/602073482.db2.gz SASCNVGANVZAQD-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM Cc1nc(C2CCCC2)sc1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000263114269 602074434 /nfs/dbraw/zinc/07/44/34/602074434.db2.gz BUVMTPGOIJNBPJ-UHFFFAOYSA-N -1 0 344.436 3.989 20 0 EHADRM CCCCN(C)c1ccc(C(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000533196712 602078367 /nfs/dbraw/zinc/07/83/67/602078367.db2.gz HDBWSWRFWXRHMB-UHFFFAOYSA-N -1 0 340.423 3.802 20 0 EHADRM O=C([O-])[C@@H](OC(=O)COC1CCCC1)c1cc(Cl)cc(Cl)c1 ZINC000833113634 602085050 /nfs/dbraw/zinc/08/50/50/602085050.db2.gz XSWPNYPCXYDPBW-AWEZNQCLSA-N -1 0 347.194 3.622 20 0 EHADRM Cc1nc([C@H](C)OC(=O)[C@@H]2C[C@H]2C(=O)[O-])oc1-c1ccc(Cl)cc1 ZINC000832994691 602086090 /nfs/dbraw/zinc/08/60/90/602086090.db2.gz WTVBMWRYLUFRRM-ZWKOPEQDSA-N -1 0 349.770 3.628 20 0 EHADRM CSC[C@@H](C)C(=O)O[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000832753375 602086349 /nfs/dbraw/zinc/08/63/49/602086349.db2.gz KOPIGAGFGIEVPU-RDDDGLTNSA-N -1 0 337.224 3.661 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)N1CCCc2ccccc2C1 ZINC000402987736 602096069 /nfs/dbraw/zinc/09/60/69/602096069.db2.gz HTOHNJHMRYDNMN-UHFFFAOYSA-N -1 0 332.444 3.570 20 0 EHADRM Cc1oc(CS[C@H](C)c2cn(-c3ccccc3)nn2)cc1C(=O)[O-] ZINC000833027345 602100610 /nfs/dbraw/zinc/10/06/10/602100610.db2.gz SIJXTUGDVOSSNS-GFCCVEGCSA-N -1 0 343.408 3.861 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000827272307 602103912 /nfs/dbraw/zinc/10/39/12/602103912.db2.gz NQAKHPMXASZKCN-APPDUMDISA-N -1 0 349.789 3.796 20 0 EHADRM Cc1sc(NC(=O)COC/C=C\c2ccccc2)c(C(=O)[O-])c1C ZINC000833036502 602109610 /nfs/dbraw/zinc/10/96/10/602109610.db2.gz LMRJXOSNNTWSQH-TWGQIWQCSA-N -1 0 345.420 3.732 20 0 EHADRM CN(C(=O)c1cccc(OC(F)(F)F)c1)c1ccccc1C(=O)[O-] ZINC000392183202 602110305 /nfs/dbraw/zinc/11/03/05/602110305.db2.gz NXYUYXYPEGLETD-UHFFFAOYSA-N -1 0 339.269 3.560 20 0 EHADRM CCCN(C)C(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC000829453820 602110999 /nfs/dbraw/zinc/11/09/99/602110999.db2.gz ZVMJRCSPGYXFJW-UHFFFAOYSA-N -1 0 342.395 3.838 20 0 EHADRM Cc1nc(CNc2ccc(OCC(=O)[O-])c3ccccc23)oc1C ZINC000832999749 602114351 /nfs/dbraw/zinc/11/43/51/602114351.db2.gz KKFVPKOAUOIOOO-UHFFFAOYSA-N -1 0 326.352 3.520 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000827255171 602140582 /nfs/dbraw/zinc/14/05/82/602140582.db2.gz CQUKXGMJRFDTIZ-SMDDNHRTSA-N -1 0 343.345 3.870 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)CCCCCc2ccc(O)cc2)c1 ZINC000833268146 602144976 /nfs/dbraw/zinc/14/49/76/602144976.db2.gz WLGNIKCPTVXAMH-UHFFFAOYSA-N -1 0 341.407 3.761 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=S)NC1CCCCC1)c1ccccc1 ZINC000826105381 602151892 /nfs/dbraw/zinc/15/18/92/602151892.db2.gz CGXQJCQVLVOGBM-HNNXBMFYSA-N -1 0 334.485 3.635 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cnc(-c2ccccc2)nc1C ZINC000128670220 602156327 /nfs/dbraw/zinc/15/63/27/602156327.db2.gz BSBPKONTQQREGS-UHFFFAOYSA-N -1 0 347.374 3.711 20 0 EHADRM Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)CC(=O)[O-] ZINC000832984410 602168275 /nfs/dbraw/zinc/16/82/75/602168275.db2.gz PNWGUFMQVVEWDY-DZGCQCFKSA-N -1 0 331.437 3.567 20 0 EHADRM C[C@@H](NC(=O)N(C)C1CCCCCCC1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738966249 602173510 /nfs/dbraw/zinc/17/35/10/602173510.db2.gz YBTUHIRMPWSMPY-CABCVRRESA-N -1 0 339.480 3.519 20 0 EHADRM Cc1nn(-c2ccccc2)cc1C(=O)Nc1ccccc1NC(=O)[O-] ZINC000740242404 602174632 /nfs/dbraw/zinc/17/46/32/602174632.db2.gz LPOVCAOERHTDLB-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)Cc1ccc(-n2cccc2)cc1 ZINC000740714652 602175671 /nfs/dbraw/zinc/17/56/71/602175671.db2.gz WKDYTAWVFBMIGC-UHFFFAOYSA-N -1 0 335.363 3.748 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)CCOc1cccc(Cl)c1 ZINC000740713877 602175742 /nfs/dbraw/zinc/17/57/42/602175742.db2.gz CUZCSBZNSOJGLI-UHFFFAOYSA-N -1 0 334.759 3.838 20 0 EHADRM CC(C)c1cccc(OCC(=O)Nc2ccccc2NC(=O)[O-])c1 ZINC000738878728 602176410 /nfs/dbraw/zinc/17/64/10/602176410.db2.gz XRRVCJIIDSUEDI-UHFFFAOYSA-N -1 0 328.368 3.917 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000740714649 602177697 /nfs/dbraw/zinc/17/76/97/602177697.db2.gz WIHYSCGPEARZSK-NSHDSACASA-N -1 0 346.770 3.620 20 0 EHADRM Cc1oc(-c2ccccc2)nc1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000582822382 602179817 /nfs/dbraw/zinc/17/98/17/602179817.db2.gz ORWBUZMGRIPXJB-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2ccc(CC(=O)[O-])cc2)c(C)c1 ZINC000832952455 602181230 /nfs/dbraw/zinc/18/12/30/602181230.db2.gz MDFHXYUUSJIYHG-UHFFFAOYSA-N -1 0 341.407 3.728 20 0 EHADRM Cc1oc(CS(=O)(=O)[C@@H](C)c2cccc(Cl)c2)cc1C(=O)[O-] ZINC000833027755 602182423 /nfs/dbraw/zinc/18/24/23/602182423.db2.gz XGMIZWCPKKQAPX-JTQLQIEISA-N -1 0 342.800 3.616 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000562401697 602183589 /nfs/dbraw/zinc/18/35/89/602183589.db2.gz IWMOPYUHEYEZCX-RTXFEEFZSA-N -1 0 325.430 3.759 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000832958924 602186295 /nfs/dbraw/zinc/18/62/95/602186295.db2.gz WAYPGOLEIJDEDY-UHFFFAOYSA-N -1 0 336.391 3.755 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2cccc(Oc3nccs3)c2)c1 ZINC000683329662 602187256 /nfs/dbraw/zinc/18/72/56/602187256.db2.gz ZUWGJUFXQMYIIR-UHFFFAOYSA-N -1 0 346.389 3.947 20 0 EHADRM O=C(/C=C\c1nc2ccccc2s1)Nc1cc(C(=O)[O-])cs1 ZINC000493348185 602188503 /nfs/dbraw/zinc/18/85/03/602188503.db2.gz FAZSNOCWZDCSTF-WAYWQWQTSA-N -1 0 330.390 3.708 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)COc2ccc3c(c2)CCCC3)cc1 ZINC000833285235 602189074 /nfs/dbraw/zinc/18/90/74/602189074.db2.gz CIPHRSOGHGEZSO-UHFFFAOYSA-N -1 0 340.379 3.673 20 0 EHADRM CC1(C)C[C@@H](NC(=O)c2cccc(NC(=O)[O-])c2)c2ccccc2O1 ZINC000828055727 602198084 /nfs/dbraw/zinc/19/80/84/602198084.db2.gz JEFQCJLOZXZWID-OAHLLOKOSA-N -1 0 340.379 3.809 20 0 EHADRM CCC[C@@](C)(NC(=O)[O-])C(=O)OCc1nc(-c2ccccc2)oc1C ZINC000739300684 602220660 /nfs/dbraw/zinc/22/06/60/602220660.db2.gz YQSZLOXEOOUTFH-GOSISDBHSA-N -1 0 346.383 3.520 20 0 EHADRM CCCN(CC)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000829482564 602222193 /nfs/dbraw/zinc/22/21/93/602222193.db2.gz ZABCMVOQDGZGAT-UHFFFAOYSA-N -1 0 330.384 3.567 20 0 EHADRM CCC1(CNC(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)CC1 ZINC000829065493 602227498 /nfs/dbraw/zinc/22/74/98/602227498.db2.gz KOZGSKIHZUQIJC-UHFFFAOYSA-N -1 0 342.395 3.615 20 0 EHADRM C[C@H]1CCC[C@H]1NC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000828245929 602228631 /nfs/dbraw/zinc/22/86/31/602228631.db2.gz PIBXFLAVZQHDNW-SWLSCSKDSA-N -1 0 342.395 3.613 20 0 EHADRM CCc1ccc(NC(=O)c2cccn2C2CCN(C(=O)[O-])CC2)cc1 ZINC000739541107 602229270 /nfs/dbraw/zinc/22/92/70/602229270.db2.gz FFFJKVKFDDYYOG-UHFFFAOYSA-N -1 0 341.411 3.618 20 0 EHADRM COc1cccc(C=C2CCN(Cc3cc(C(=O)[O-])c(C)o3)CC2)c1 ZINC000832545281 602230770 /nfs/dbraw/zinc/23/07/70/602230770.db2.gz DITUWVTUZPUDMH-UHFFFAOYSA-N -1 0 341.407 3.974 20 0 EHADRM CC(C)COc1ccc([C@H](C)NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000180133294 602232684 /nfs/dbraw/zinc/23/26/84/602232684.db2.gz WYSURKWHPWUXOG-XIRDDKMYSA-N -1 0 347.455 3.790 20 0 EHADRM Cc1cc(CNc2ccn(CCC(C)C)n2)cc(C)c1OCC(=O)[O-] ZINC000832885524 602232754 /nfs/dbraw/zinc/23/27/54/602232754.db2.gz OJPUDXUNVUOHCR-UHFFFAOYSA-N -1 0 345.443 3.622 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)c3cccc(-n4cccc4)c3)ccc21 ZINC000740471247 602242398 /nfs/dbraw/zinc/24/23/98/602242398.db2.gz VHSAROPESNICFD-UHFFFAOYSA-N -1 0 347.374 3.770 20 0 EHADRM C[C@@H](NC(=O)/C=C\c1ccc(-c2ccccc2Cl)s1)C(=O)[O-] ZINC000767110576 602246725 /nfs/dbraw/zinc/24/67/25/602246725.db2.gz ZZPZNCLSUVLWPR-UJICNMFASA-N -1 0 335.812 3.671 20 0 EHADRM CCN(Cc1ccccc1NC(=O)c1cccc(F)c1F)C(=O)[O-] ZINC000739442086 602247045 /nfs/dbraw/zinc/24/70/45/602247045.db2.gz GPWJKSJOBGVURX-UHFFFAOYSA-N -1 0 334.322 3.717 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)[C@@H](C)OC1CCCCCC1 ZINC000825942285 602254900 /nfs/dbraw/zinc/25/49/00/602254900.db2.gz QGZYSTAWQWWHLS-CYBMUJFWSA-N -1 0 348.395 3.621 20 0 EHADRM C[C@H](NC(=O)c1ccc(CNC(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000739022628 602259745 /nfs/dbraw/zinc/25/97/45/602259745.db2.gz IOIGKYNSYUDQLG-NSHDSACASA-N -1 0 332.787 3.599 20 0 EHADRM Cc1ccccc1CC(C)(C)NC(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000740181708 602265994 /nfs/dbraw/zinc/26/59/94/602265994.db2.gz QVUWYRONYXCMHE-UHFFFAOYSA-N -1 0 340.423 3.514 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NC2(Cc3ccccc3)CCC2)c(F)c1 ZINC000833155132 602278978 /nfs/dbraw/zinc/27/89/78/602278978.db2.gz YASGNQXILNLCFJ-UHFFFAOYSA-N -1 0 342.370 3.811 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])c1ccccc1 ZINC000738920883 602281126 /nfs/dbraw/zinc/28/11/26/602281126.db2.gz QVDQGHOAALFPRR-ZDUSSCGKSA-N -1 0 339.395 3.652 20 0 EHADRM CCCn1c(C)cc(-c2csc(NC(=O)[C@H](C)CC(=O)[O-])n2)c1C ZINC000829580175 602289865 /nfs/dbraw/zinc/28/98/65/602289865.db2.gz QHERSVZQMNLRHU-SNVBAGLBSA-N -1 0 349.456 3.688 20 0 EHADRM COc1ccc(C)cc1CSCc1cn2cccc(C(=O)[O-])c2n1 ZINC000832259510 602290281 /nfs/dbraw/zinc/29/02/81/602290281.db2.gz WXQQBJZHJGBYIM-UHFFFAOYSA-N -1 0 342.420 3.783 20 0 EHADRM Cc1cccc2[nH]cc(CCNC(=O)c3ccc(NC(=O)[O-])cc3)c21 ZINC000738310095 602313470 /nfs/dbraw/zinc/31/34/70/602313470.db2.gz BDMZLUZNGOKGLJ-UHFFFAOYSA-N -1 0 337.379 3.539 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)C1CCC(NC(=O)[O-])CC1 ZINC000739887168 602333345 /nfs/dbraw/zinc/33/33/45/602333345.db2.gz XQARKXWEBBIKRD-UHFFFAOYSA-N -1 0 348.443 3.758 20 0 EHADRM O=C([O-])CN(Cc1csc(Cc2ccccc2)n1)C1CCCC1 ZINC000580451309 602339006 /nfs/dbraw/zinc/33/90/06/602339006.db2.gz CNFASQCLOXXTFV-UHFFFAOYSA-N -1 0 330.453 3.563 20 0 EHADRM O=C([O-])c1ccc2ccccc2c1OC(=O)CC1CCSCC1 ZINC000833097400 602347138 /nfs/dbraw/zinc/34/71/38/602347138.db2.gz MRBBXJQIJKKCCA-UHFFFAOYSA-N -1 0 330.405 3.977 20 0 EHADRM Cn1cc(NC(=O)N(Cc2ccc(Cl)cc2)C2CC2)cc1C(=O)[O-] ZINC000833047216 602360926 /nfs/dbraw/zinc/36/09/26/602360926.db2.gz JBTKVOICTCZQOB-UHFFFAOYSA-N -1 0 347.802 3.573 20 0 EHADRM Cc1ccc(Cl)c(NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000323345582 602367558 /nfs/dbraw/zinc/36/75/58/602367558.db2.gz YVEHRGDYKWMMHO-UHFFFAOYSA-N -1 0 330.771 3.894 20 0 EHADRM Cc1ccc([C@H]2CCCCCN2C(=O)Nc2cc(C(=O)[O-])n(C)c2)o1 ZINC000832929050 602368892 /nfs/dbraw/zinc/36/88/92/602368892.db2.gz JAOHOEYVIMFSIZ-CQSZACIVSA-N -1 0 345.399 3.774 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1C ZINC000832928231 602375238 /nfs/dbraw/zinc/37/52/38/602375238.db2.gz PDIOGSRQCCLFAB-MRXNPFEDSA-N -1 0 341.411 3.709 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NC2(c3nccs3)CCCC2)cc1F ZINC000833154095 602377730 /nfs/dbraw/zinc/37/77/30/602377730.db2.gz RCVADNTYYHMHLF-UHFFFAOYSA-N -1 0 349.387 3.571 20 0 EHADRM CCS[C@@H]1CCC[C@H](NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000830156971 602378653 /nfs/dbraw/zinc/37/86/53/602378653.db2.gz BVLUJSRUVQVVCB-CMPLNLGQSA-N -1 0 340.420 3.710 20 0 EHADRM CC[C@H](NC(=O)[O-])C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000739531151 602379065 /nfs/dbraw/zinc/37/90/65/602379065.db2.gz YEDYICUDXZBFHN-HOTGVXAUSA-N -1 0 346.814 3.592 20 0 EHADRM Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000832959087 602380258 /nfs/dbraw/zinc/38/02/58/602380258.db2.gz FKKBUBSCCABISB-INIZCTEOSA-N -1 0 328.343 3.641 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc([C@@H]2Cc3ccccc3S2)n1 ZINC000738817022 602407767 /nfs/dbraw/zinc/40/77/67/602407767.db2.gz NXJZZKVAIFVFJX-YPMHNXCESA-N -1 0 333.413 3.814 20 0 EHADRM Cc1ccc(CCCc2nc(C3(NC(=O)[O-])CCCC3)no2)cc1 ZINC000740124529 602414002 /nfs/dbraw/zinc/41/40/02/602414002.db2.gz IQDLTVCZDCBFOT-UHFFFAOYSA-N -1 0 329.400 3.590 20 0 EHADRM O=C([O-])NCc1cccc(OCc2ncc(-c3ccc(F)cc3)o2)c1 ZINC000740681810 602425913 /nfs/dbraw/zinc/42/59/13/602425913.db2.gz WDYXPPQOFQSDMK-UHFFFAOYSA-N -1 0 342.326 3.827 20 0 EHADRM COCc1cccc(NC(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000739843378 602458242 /nfs/dbraw/zinc/45/82/42/602458242.db2.gz OWKBQAGLGBWYKI-QGZVFWFLSA-N -1 0 342.395 3.561 20 0 EHADRM CCOc1cccc(NC(=O)CC[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000739508535 602462016 /nfs/dbraw/zinc/46/20/16/602462016.db2.gz QZGJWGVKYCOBEJ-KRWDZBQOSA-N -1 0 342.395 3.813 20 0 EHADRM CCN(C)c1ccccc1CNC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000737067525 602470347 /nfs/dbraw/zinc/47/03/47/602470347.db2.gz CJEVTBAJZGNBRJ-UHFFFAOYSA-N -1 0 342.399 3.554 20 0 EHADRM Cc1cccc(N(C)C(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000740165546 602473280 /nfs/dbraw/zinc/47/32/80/602473280.db2.gz AHSPQPJBHWUKPL-QGZVFWFLSA-N -1 0 326.396 3.747 20 0 EHADRM O=C([O-])N1CCC(CC(=O)N[C@H](c2ccc(F)cc2)C2CCC2)CC1 ZINC000740346763 602476570 /nfs/dbraw/zinc/47/65/70/602476570.db2.gz QSLFTWLBRUMCMS-SFHVURJKSA-N -1 0 348.418 3.563 20 0 EHADRM C[C@@H](c1ccccc1F)N(C)C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739060593 602483927 /nfs/dbraw/zinc/48/39/27/602483927.db2.gz PIYRVHMIRQXKHG-JTQLQIEISA-N -1 0 334.322 3.888 20 0 EHADRM C[C@H](c1ccccc1F)N(C)C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739060594 602483952 /nfs/dbraw/zinc/48/39/52/602483952.db2.gz PIYRVHMIRQXKHG-SNVBAGLBSA-N -1 0 334.322 3.888 20 0 EHADRM CCOc1ccc(NC(=O)c2ccc(F)c(NC(=O)[O-])c2)c(C)c1 ZINC000739500233 602485493 /nfs/dbraw/zinc/48/54/93/602485493.db2.gz AZLCTOKOCKFGPN-UHFFFAOYSA-N -1 0 332.331 3.875 20 0 EHADRM CCOc1ccc(OC)cc1NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739504186 602488334 /nfs/dbraw/zinc/48/83/34/602488334.db2.gz KQFBEBZZSXNQRC-UHFFFAOYSA-N -1 0 348.330 3.575 20 0 EHADRM Cc1cc(Br)oc1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000740048122 602502923 /nfs/dbraw/zinc/50/29/23/602502923.db2.gz DCXNVFWMGFQSIW-UHFFFAOYSA-N -1 0 339.145 3.693 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)c3ccc(F)cc3F)ccc21 ZINC000740465996 602506502 /nfs/dbraw/zinc/50/65/02/602506502.db2.gz VBNCJJVZVGWRLN-UHFFFAOYSA-N -1 0 332.306 3.648 20 0 EHADRM CC[C@](C)(NC(=O)c1ccc(CNC(=O)[O-])cc1)c1ccccc1 ZINC000739219414 602568733 /nfs/dbraw/zinc/56/87/33/602568733.db2.gz QADONTPCZFAFMO-IBGZPJMESA-N -1 0 326.396 3.509 20 0 EHADRM CCN(CCC(F)(F)F)C(=O)Nc1ccc(OC)c(NC(=O)[O-])c1 ZINC000739414971 602585656 /nfs/dbraw/zinc/58/56/56/602585656.db2.gz LZIIVKOJZNKOGN-UHFFFAOYSA-N -1 0 349.309 3.591 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000738991663 602598196 /nfs/dbraw/zinc/59/81/96/602598196.db2.gz VDKALRVSIUSWSB-ZETCQYMHSA-N -1 0 331.294 3.715 20 0 EHADRM CC(C)c1ccc(NC(=O)N[C@H]2CCN(C(=O)[O-])C2)c(C(C)C)c1 ZINC000738877206 602598938 /nfs/dbraw/zinc/59/89/38/602598938.db2.gz QITUKVNKKYDHKW-AWEZNQCLSA-N -1 0 333.432 3.807 20 0 EHADRM C[C@H](CNC(=O)[O-])N(C)C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000738932133 602602542 /nfs/dbraw/zinc/60/25/42/602602542.db2.gz IWUGOPIKDWMCMU-CYBMUJFWSA-N -1 0 343.383 3.599 20 0 EHADRM C[C@H]1CCCN(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])CC1 ZINC000739107713 602605034 /nfs/dbraw/zinc/60/50/34/602605034.db2.gz UUODLDFOWXLAJQ-ZDUSSCGKSA-N -1 0 331.416 3.771 20 0 EHADRM CCc1nc([C@@H](C)NC(=O)Nc2ccc(NC(=O)[O-])cc2)cs1 ZINC000737277069 602605958 /nfs/dbraw/zinc/60/59/58/602605958.db2.gz OVMTXEZSUFLTRS-SECBINFHSA-N -1 0 334.401 3.678 20 0 EHADRM CC(C)CCN(C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2)C1CC1 ZINC000738819154 602607475 /nfs/dbraw/zinc/60/74/75/602607475.db2.gz TVUKIKWDHCGSJK-UHFFFAOYSA-N -1 0 345.443 3.765 20 0 EHADRM COc1ccc(C(=O)Nc2cccc(CN(C)C(=O)[O-])c2)c(Cl)c1 ZINC000739882842 602625818 /nfs/dbraw/zinc/62/58/18/602625818.db2.gz VBSVCRLFBYJNLE-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM O=C([O-])N1CCC[C@@H](CCNC(=O)c2cc(Cl)ccc2Cl)C1 ZINC000740424484 602634444 /nfs/dbraw/zinc/63/44/44/602634444.db2.gz HPAIEXMJUOMZCX-JTQLQIEISA-N -1 0 345.226 3.503 20 0 EHADRM CCCc1ccc(S(=O)(=O)Nc2ccccc2NC(=O)[O-])cc1 ZINC000739374956 602652969 /nfs/dbraw/zinc/65/29/69/602652969.db2.gz URCMIQDXVWBXSJ-UHFFFAOYSA-N -1 0 334.397 3.530 20 0 EHADRM CCCO[C@@H]1CCCN(C(=O)Nc2ccc(NC(=O)[O-])cc2)CC1 ZINC000737028384 602654071 /nfs/dbraw/zinc/65/40/71/602654071.db2.gz REGASKRLFUPCCO-OAHLLOKOSA-N -1 0 335.404 3.590 20 0 EHADRM CCS[C@@H]1CCCCN(C(=O)c2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000739520072 602657715 /nfs/dbraw/zinc/65/77/15/602657715.db2.gz PTJUDEXSQFADDI-GFCCVEGCSA-N -1 0 340.420 3.663 20 0 EHADRM CSc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])o1 ZINC000740015947 602703601 /nfs/dbraw/zinc/70/36/01/602703601.db2.gz IHFUXRDYKDLVNH-UHFFFAOYSA-N -1 0 332.381 3.684 20 0 EHADRM Cc1ccc(F)c2c1CCCN2C(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000740129905 602713811 /nfs/dbraw/zinc/71/38/11/602713811.db2.gz NXGAHFXONGCXHK-UHFFFAOYSA-N -1 0 342.370 3.746 20 0 EHADRM Cc1ccccc1[C@H](CC(C)C)NC(=O)C1CCN(C(=O)[O-])CC1 ZINC000738322856 602715983 /nfs/dbraw/zinc/71/59/83/602715983.db2.gz XMSCDOCSCLEUCX-KRWDZBQOSA-N -1 0 332.444 3.588 20 0 EHADRM O=C([O-])N1CC[C@H](CCNC(=S)Nc2ccc3ccccc3c2)C1 ZINC000740498354 602725849 /nfs/dbraw/zinc/72/58/49/602725849.db2.gz AKKWRBHLZMWGNK-ZDUSSCGKSA-N -1 0 343.452 3.516 20 0 EHADRM COc1ccc(OC(C)C)c(NC(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000738043840 602726894 /nfs/dbraw/zinc/72/68/94/602726894.db2.gz IBEHFOJHRGIKGU-UHFFFAOYSA-N -1 0 344.367 3.825 20 0 EHADRM CCCC[C@H](Nc1ccc(NC(=O)[O-])cc1)C(=O)Nc1cc(C)on1 ZINC000736982960 602730256 /nfs/dbraw/zinc/73/02/56/602730256.db2.gz WIZWOWJBRHGRIR-AWEZNQCLSA-N -1 0 346.387 3.682 20 0 EHADRM Cc1nc2c(s1)[C@H](OC(=O)c1cccc(NC(=O)[O-])c1)CCC2 ZINC000738873258 602748713 /nfs/dbraw/zinc/74/87/13/602748713.db2.gz RERADKPTSLGDGI-CYBMUJFWSA-N -1 0 332.381 3.776 20 0 EHADRM C[C@@H](CC(=O)N(Cc1ccccc1)[C@@H](C)c1ccccc1)NC(=O)[O-] ZINC000824565779 602762128 /nfs/dbraw/zinc/76/21/28/602762128.db2.gz RKVOVMZFQKSZEN-HOTGVXAUSA-N -1 0 340.423 3.823 20 0 EHADRM CCN(C(=O)c1ccc(CNC(=O)[O-])o1)c1ccc2ccccc2c1 ZINC000826983043 602773431 /nfs/dbraw/zinc/77/34/31/602773431.db2.gz BXHAXKFYGVNARB-UHFFFAOYSA-N -1 0 338.363 3.867 20 0 EHADRM C[C@H](OC(=O)CCC(C)(C)NC(=O)[O-])c1nc2ccccc2s1 ZINC000739041464 602785422 /nfs/dbraw/zinc/78/54/22/602785422.db2.gz IVMYTVVVPRREFI-JTQLQIEISA-N -1 0 336.413 3.727 20 0 EHADRM O=C([O-])NC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(Cl)c1Cl ZINC000740634489 602789113 /nfs/dbraw/zinc/78/91/13/602789113.db2.gz RAEZYMIPTKPPLC-JOYOIKCWSA-N -1 0 345.226 3.550 20 0 EHADRM CC(C)(CCC(=O)Oc1ccccc1Oc1ccccn1)NC(=O)[O-] ZINC000738748350 602799875 /nfs/dbraw/zinc/79/98/75/602799875.db2.gz XIUNANIOBVICRH-UHFFFAOYSA-N -1 0 344.367 3.606 20 0 EHADRM CCCC(=O)Nc1ccc(-c2nc(CN(C)C(=O)[O-])sc2C)cc1 ZINC000739280773 602810226 /nfs/dbraw/zinc/81/02/26/602810226.db2.gz FQWCXVPCMHISFB-UHFFFAOYSA-N -1 0 347.440 3.967 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)CCC(C)(C)NC(=O)[O-])C1 ZINC000740182387 602810915 /nfs/dbraw/zinc/81/09/15/602810915.db2.gz VFYGTMGJVAYALR-LSDHHAIUSA-N -1 0 332.444 3.526 20 0 EHADRM CC[C@H](c1ccncc1)N(C)C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739263515 602814099 /nfs/dbraw/zinc/81/40/99/602814099.db2.gz JYFGEWKRYKOBDH-OAHLLOKOSA-N -1 0 331.347 3.534 20 0 EHADRM Cc1ccc([C@H](C)CNC(=O)c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000740111993 602814857 /nfs/dbraw/zinc/81/48/57/602814857.db2.gz YKCFJNFWVBPUBO-GFCCVEGCSA-N -1 0 330.359 3.758 20 0 EHADRM C[C@H]1c2c(F)cccc2CCN1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736839028 602816156 /nfs/dbraw/zinc/81/61/56/602816156.db2.gz XADRBAJNQZFNRJ-NSHDSACASA-N -1 0 328.343 3.675 20 0 EHADRM C[C@H](CNC(=O)c1cccc(NC(=O)[O-])c1)Oc1cccc(Cl)c1 ZINC000736605954 602817384 /nfs/dbraw/zinc/81/73/84/602817384.db2.gz XGXVRTCDJBRFEU-LLVKDONJSA-N -1 0 348.786 3.627 20 0 EHADRM CC(C)N(C(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1)C1CCCC1 ZINC000823647615 602848548 /nfs/dbraw/zinc/84/85/48/602848548.db2.gz MAAXASPKNIUXDQ-YOEHRIQHSA-N -1 0 332.444 3.811 20 0 EHADRM CC[C@H](OC(=O)c1ccc(F)c(NC(=O)[O-])c1)C(=O)c1ccccc1 ZINC000739275736 602890187 /nfs/dbraw/zinc/89/01/87/602890187.db2.gz BDESPWMUCHYYIT-HNNXBMFYSA-N -1 0 345.326 3.734 20 0 EHADRM Cc1ccc(C)c2sc(NC(=O)c3ccc(CNC(=O)[O-])o3)nc21 ZINC000830275334 602893439 /nfs/dbraw/zinc/89/34/39/602893439.db2.gz RUZQXPMMPBAHIH-UHFFFAOYSA-N -1 0 345.380 3.526 20 0 EHADRM Cc1ccc(-c2cc(COC(=O)CCC(C)(C)NC(=O)[O-])on2)cc1 ZINC000740097099 602895889 /nfs/dbraw/zinc/89/58/89/602895889.db2.gz YQVWIULQTJGEEG-UHFFFAOYSA-N -1 0 346.383 3.520 20 0 EHADRM CC(C)CCc1ccc(NC(=O)N2CC[C@H](NC(=O)[O-])[C@H](C)C2)cc1 ZINC000738822663 602917568 /nfs/dbraw/zinc/91/75/68/602917568.db2.gz QCKPSCFBIILMOP-PBHICJAKSA-N -1 0 347.459 3.785 20 0 EHADRM CC(C)CCc1ccccc1NC(=O)N1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000738819869 602917608 /nfs/dbraw/zinc/91/76/08/602917608.db2.gz JYIVTBASTRJKRB-GOEBONIOSA-N -1 0 347.459 3.785 20 0 EHADRM Cc1ccccc1[C@H](C)Cc1nc(C2(NC(=O)[O-])CCCC2)no1 ZINC000740186003 602950277 /nfs/dbraw/zinc/95/02/77/602950277.db2.gz XJIYAMCRLZALGI-CYBMUJFWSA-N -1 0 329.400 3.761 20 0 EHADRM Cc1ccc(C(=O)NC2(c3nccs3)CCCC2)cc1NC(=O)[O-] ZINC000830205810 602950893 /nfs/dbraw/zinc/95/08/93/602950893.db2.gz SWEVQNQMDWOTBA-UHFFFAOYSA-N -1 0 345.424 3.741 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)c2ccc3[nH]c(C(F)F)nc3c2)cc1 ZINC000738669237 602959981 /nfs/dbraw/zinc/95/99/81/602959981.db2.gz PILHJXAAYHRAAB-UHFFFAOYSA-N -1 0 347.277 3.810 20 0 EHADRM Cc1ccc(C(=O)Nc2cc(C3CCCC3)[nH]n2)cc1NC(=O)[O-] ZINC000830231040 602961723 /nfs/dbraw/zinc/96/17/23/602961723.db2.gz YJXNEEXCDWKVGB-UHFFFAOYSA-N -1 0 328.372 3.718 20 0 EHADRM CC(C)c1ccc(CCCNC(=O)C2CCC(NC(=O)[O-])CC2)cc1 ZINC000738882626 602962490 /nfs/dbraw/zinc/96/24/90/602962490.db2.gz MTYIQWRUZMFZNW-UHFFFAOYSA-N -1 0 346.471 3.685 20 0 EHADRM O=C([O-])Nc1ccc(C(F)(F)F)cc1NC(=O)CC1CCOCC1 ZINC000740702007 602980170 /nfs/dbraw/zinc/98/01/70/602980170.db2.gz QJWFXCHRANKKPE-UHFFFAOYSA-N -1 0 346.305 3.551 20 0 EHADRM Cc1cccc2c(CC(=O)Nc3ccc4c(c3)CCN4C(=O)[O-])c[nH]c21 ZINC000740179252 602999682 /nfs/dbraw/zinc/99/96/82/602999682.db2.gz KPXXMKGZNONBTA-UHFFFAOYSA-N -1 0 349.390 3.698 20 0 EHADRM O=C([O-])Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccncc1F ZINC000740701537 603002223 /nfs/dbraw/zinc/00/22/23/603002223.db2.gz DNBKDTAHXPRKRP-UHFFFAOYSA-N -1 0 343.236 3.582 20 0 EHADRM COc1cc(NC(=O)C(C)(C)Cc2ccccc2)ccc1NC(=O)[O-] ZINC000739864349 603006881 /nfs/dbraw/zinc/00/68/81/603006881.db2.gz AWXCTAUGCPRKNK-UHFFFAOYSA-N -1 0 342.395 3.993 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N(CC(F)(F)F)c2ccccc2)c1 ZINC000740026743 603008636 /nfs/dbraw/zinc/00/86/36/603008636.db2.gz AZQBCDANOMSENK-UHFFFAOYSA-N -1 0 338.285 3.986 20 0 EHADRM Cc1cccc(CSCc2nc([C@@H](C)CN(C)C(=O)[O-])no2)c1 ZINC000740166402 603009243 /nfs/dbraw/zinc/00/92/43/603009243.db2.gz JPQBQECTHBEACZ-LBPRGKRZSA-N -1 0 335.429 3.525 20 0 EHADRM C[C@@H](CN(C)C(=O)[O-])c1noc(CSc2ccc3c(c2)CCC3)n1 ZINC000738915403 603009651 /nfs/dbraw/zinc/00/96/51/603009651.db2.gz XCZTYMGDSZZHGI-NSHDSACASA-N -1 0 347.440 3.564 20 0 EHADRM C[C@@H](CN(C)C(=O)[O-])c1noc(/C=C\c2nc3ccccc3s2)n1 ZINC000738912452 603017476 /nfs/dbraw/zinc/01/74/76/603017476.db2.gz YXMIECNKULRFHH-DMEOUFDRSA-N -1 0 344.396 3.563 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc(COc2ccc3ccccc3c2)n1 ZINC000738913737 603018618 /nfs/dbraw/zinc/01/86/18/603018618.db2.gz NUGKDYRCSIIFPY-GFCCVEGCSA-N -1 0 341.367 3.515 20 0 EHADRM CCc1cccc(C)c1NC(=O)CNc1cc(NC(=O)[O-])ccc1F ZINC000739543676 603019376 /nfs/dbraw/zinc/01/93/76/603019376.db2.gz XIIRSNIRNDCYPQ-UHFFFAOYSA-N -1 0 345.374 3.837 20 0 EHADRM O=C([O-])N[C@H](CNC(=O)c1ccc2ccccc2c1)c1ccccc1 ZINC000740536034 603022232 /nfs/dbraw/zinc/02/22/32/603022232.db2.gz OJPZRONHLXTALJ-GOSISDBHSA-N -1 0 334.375 3.579 20 0 EHADRM O=C([O-])NCCCc1nc(-c2cccc(Oc3ccccc3)c2)no1 ZINC000739972687 603024381 /nfs/dbraw/zinc/02/43/81/603024381.db2.gz PJFOZEPCELRUDF-UHFFFAOYSA-N -1 0 339.351 3.729 20 0 EHADRM Cc1csc(Nc2cccc(NC(=O)CC(C)(C)NC(=O)[O-])c2)n1 ZINC000740210856 603028896 /nfs/dbraw/zinc/02/88/96/603028896.db2.gz ZLPHLWGGHZJOFR-UHFFFAOYSA-N -1 0 348.428 3.570 20 0 EHADRM C[C@@H](CCc1ccco1)NC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000738909378 603032460 /nfs/dbraw/zinc/03/24/60/603032460.db2.gz SWEQWYKJGYXCNJ-JTQLQIEISA-N -1 0 335.335 3.651 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)Cc2cc3ccccc3o2)cc1 ZINC000827909431 603042889 /nfs/dbraw/zinc/04/28/89/603042889.db2.gz ZIJNQGUGXBAWGP-UHFFFAOYSA-N -1 0 325.320 3.695 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)cc1 ZINC000827899033 603047717 /nfs/dbraw/zinc/04/77/17/603047717.db2.gz CSXOBZLSNVMTGW-OLZOCXBDSA-N -1 0 347.317 3.788 20 0 EHADRM COc1cccc([C@H](C)C(=O)Oc2ccc(N(C)C(=O)[O-])cc2)c1 ZINC000829544451 603052056 /nfs/dbraw/zinc/05/20/56/603052056.db2.gz VZGWXCWATRKMIQ-LBPRGKRZSA-N -1 0 329.352 3.519 20 0 EHADRM CN(Cc1cccc(NC(=O)[C@@H]2CSc3ccccc32)c1)C(=O)[O-] ZINC000739707006 603053746 /nfs/dbraw/zinc/05/37/46/603053746.db2.gz IZURFCBDCQGIRY-OAHLLOKOSA-N -1 0 342.420 3.624 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)C[C@H]2CCc3ccccc32)cc1 ZINC000827908757 603054246 /nfs/dbraw/zinc/05/42/46/603054246.db2.gz RIRJZPHOAHSITN-CQSZACIVSA-N -1 0 325.364 3.826 20 0 EHADRM CCC[C@@H](NC(=O)[O-])C(=O)Nc1cccc(Cl)c1OC(C)C ZINC000739321682 603060504 /nfs/dbraw/zinc/06/05/04/603060504.db2.gz KENBLRXBMCBKFW-GFCCVEGCSA-N -1 0 328.796 3.502 20 0 EHADRM C[C@H](NC(=O)[C@H](CNC(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC000738954681 603079248 /nfs/dbraw/zinc/07/92/48/603079248.db2.gz ZTSZZYADDPQAOS-BLLLJJGKSA-N -1 0 346.814 3.569 20 0 EHADRM CCC[C@](C)(NC(=O)[O-])C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000739296762 603080487 /nfs/dbraw/zinc/08/04/87/603080487.db2.gz BCQFDKIJJCWOAG-IBGZPJMESA-N -1 0 348.443 3.911 20 0 EHADRM CO[C@H](CNC(=O)c1cccc(NC(=O)[O-])c1)c1cccc(Cl)c1 ZINC000828849360 603097918 /nfs/dbraw/zinc/09/79/18/603097918.db2.gz MNEGEKHBHJMEJS-OAHLLOKOSA-N -1 0 348.786 3.547 20 0 EHADRM CCN(C(=O)CNc1ccc([C@@H](C)NC(=O)[O-])cc1)C1CCCCC1 ZINC000739382778 603103867 /nfs/dbraw/zinc/10/38/67/603103867.db2.gz VAMCTYHQRYUTLE-CQSZACIVSA-N -1 0 347.459 3.608 20 0 EHADRM CN(Cc1cccc(NC(=O)Cc2cnc3ccccc3c2)c1)C(=O)[O-] ZINC000739706889 603118010 /nfs/dbraw/zinc/11/80/10/603118010.db2.gz FWOLHHUSXIAQHC-UHFFFAOYSA-N -1 0 349.390 3.526 20 0 EHADRM O=C([O-])NC1CCC(NC(=O)Nc2ccc3ccccc3c2)CC1 ZINC000740555213 603136561 /nfs/dbraw/zinc/13/65/61/603136561.db2.gz GBCBOGOGWZLUOY-UHFFFAOYSA-N -1 0 327.384 3.540 20 0 EHADRM CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc(NC(=O)[O-])cc1 ZINC000827460432 603157200 /nfs/dbraw/zinc/15/72/00/603157200.db2.gz SGMKTTKPBUJJNR-LBPRGKRZSA-N -1 0 344.367 3.581 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)N(Cc2ccco2)c2ccccc2)C1 ZINC000740564018 603158982 /nfs/dbraw/zinc/15/89/82/603158982.db2.gz MCZNYLCQINTLFF-CABCVRRESA-N -1 0 342.395 3.639 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)Nc2ccc(Cl)c3ncccc23)C1 ZINC000740575949 603163533 /nfs/dbraw/zinc/16/35/33/603163533.db2.gz SNMPJHMVVQUQRZ-MNOVXSKESA-N -1 0 347.802 3.653 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)Nc2cc(Cl)cc3cccnc32)C1 ZINC000740572258 603164251 /nfs/dbraw/zinc/16/42/51/603164251.db2.gz KVIWGGLCBGIRHI-DGCLKSJQSA-N -1 0 347.802 3.653 20 0 EHADRM CCOc1ccc(NC(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)cc1Cl ZINC000739506582 603174332 /nfs/dbraw/zinc/17/43/32/603174332.db2.gz MIJKDWGXFVNSHS-MNOVXSKESA-N -1 0 340.807 3.504 20 0 EHADRM COc1cc(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)ccc1C ZINC000829087309 603175979 /nfs/dbraw/zinc/17/59/79/603175979.db2.gz LXPANQXIMAKPKC-LBPRGKRZSA-N -1 0 328.368 3.585 20 0 EHADRM Cc1cc(OC(C)C)ccc1NC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000740088210 603176176 /nfs/dbraw/zinc/17/61/76/603176176.db2.gz FQAJWVSGKCBCPB-KGLIPLIRSA-N -1 0 334.416 3.547 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000825021831 603176455 /nfs/dbraw/zinc/17/64/55/603176455.db2.gz BEBTXGFPMOGQCF-OLZOCXBDSA-N -1 0 344.386 3.972 20 0 EHADRM Cc1cc(C(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)c(C)s1 ZINC000740058776 603177724 /nfs/dbraw/zinc/17/77/24/603177724.db2.gz DRPFVIVPHGSDOA-UHFFFAOYSA-N -1 0 330.409 3.653 20 0 EHADRM Cc1ccccc1NCCC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000830586441 603192692 /nfs/dbraw/zinc/19/26/92/603192692.db2.gz MUZFKMYAYSSHSE-CQSZACIVSA-N -1 0 341.411 3.764 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)cc1 ZINC000738664454 603196150 /nfs/dbraw/zinc/19/61/50/603196150.db2.gz OVPZJYVKLFRFJR-TZMCWYRMSA-N -1 0 332.306 3.797 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cnc(-c3ccncc3)s2)cc1 ZINC000738668168 603196155 /nfs/dbraw/zinc/19/61/55/603196155.db2.gz WWLNMYXFEWTUTR-UHFFFAOYSA-N -1 0 340.364 3.547 20 0 EHADRM COc1cccc(CN(C)C(=O)c2ccc(NC(=O)[O-])cc2Cl)c1 ZINC000739946884 603204205 /nfs/dbraw/zinc/20/42/05/603204205.db2.gz NCITTYFWNXLBQB-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)o1 ZINC000740117760 603211581 /nfs/dbraw/zinc/21/15/81/603211581.db2.gz KELHIDFZONRMJM-PMPSAXMXSA-N -1 0 348.443 3.858 20 0 EHADRM Cc1ccc(NC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c2ccccc2)c(C)c1 ZINC000830354056 603211967 /nfs/dbraw/zinc/21/19/67/603211967.db2.gz XKRFEHPWSCUXRD-WMLDXEAASA-N -1 0 326.396 3.887 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)N(Cc2ccccc2)CC(F)F)cc1 ZINC000832840314 603213817 /nfs/dbraw/zinc/21/38/17/603213817.db2.gz HNSJFAFMEXEDJL-UHFFFAOYSA-N -1 0 348.349 3.613 20 0 EHADRM CCc1ccc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)o1 ZINC000739540827 603217684 /nfs/dbraw/zinc/21/76/84/603217684.db2.gz BAARGVCUACYVDY-YCPHGPKFSA-N -1 0 348.443 3.722 20 0 EHADRM COc1ccc(C)cc1NC(=O)[C@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000829321043 603218487 /nfs/dbraw/zinc/21/84/87/603218487.db2.gz FWWYLPDACJFLSC-CXAGYDPISA-N -1 0 342.395 3.587 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@H]2CCc3cc(F)ccc32)c(Cl)c1 ZINC000740696870 603231501 /nfs/dbraw/zinc/23/15/01/603231501.db2.gz CBWISYKZWOZZTJ-HNNXBMFYSA-N -1 0 348.761 3.986 20 0 EHADRM COc1ccccc1[C@H](CNc1nc2cc(C)ccc2o1)NC(=O)[O-] ZINC000739962108 603231743 /nfs/dbraw/zinc/23/17/43/603231743.db2.gz FHKKTXOGZLTQII-AWEZNQCLSA-N -1 0 341.367 3.566 20 0 EHADRM C[C@H](C(=O)Nc1cccc2cccnc21)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823724956 603234280 /nfs/dbraw/zinc/23/42/80/603234280.db2.gz VCEIUFIBMNLPSN-GUYCJALGSA-N -1 0 349.390 3.818 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@@H]2CCCc3occc32)c(Cl)c1 ZINC000740697582 603247715 /nfs/dbraw/zinc/24/77/15/603247715.db2.gz GABLFLWDMHNDMW-CYBMUJFWSA-N -1 0 334.759 3.830 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2Cl)c2ccccc2O1 ZINC000739169623 603247875 /nfs/dbraw/zinc/24/78/75/603247875.db2.gz RKPGCRMJADLPOQ-JTQLQIEISA-N -1 0 346.770 3.858 20 0 EHADRM O=C([O-])N1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2F)C1 ZINC000740463139 603247991 /nfs/dbraw/zinc/24/79/91/603247991.db2.gz IPCCPMIIKQTJNR-UHFFFAOYSA-N -1 0 347.321 3.645 20 0 EHADRM O=C([O-])NC[C@H]1CCCN1C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000832557720 603248447 /nfs/dbraw/zinc/24/84/47/603248447.db2.gz YVKUFEIUWUHXQZ-QGZVFWFLSA-N -1 0 339.395 3.618 20 0 EHADRM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(Cl)cc1Cl ZINC000832474971 603248590 /nfs/dbraw/zinc/24/85/90/603248590.db2.gz KKTRERNCOXFVDV-KWQFWETISA-N -1 0 346.214 3.551 20 0 EHADRM O=C([O-])N1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000740340303 603249675 /nfs/dbraw/zinc/24/96/75/603249675.db2.gz GBZCUPTVHOBFQH-KZNAEPCWSA-N -1 0 348.487 3.584 20 0 EHADRM COc1cc2c(cc1NC(=O)C[C@@H](C)NC(=O)[O-])oc1ccccc12 ZINC000829225773 603256035 /nfs/dbraw/zinc/25/60/35/603256035.db2.gz SOHAHTFOFDLAKH-SNVBAGLBSA-N -1 0 342.351 3.579 20 0 EHADRM Cc1cc(C)c(NC(=O)N2CCC[C@H]2CN(C)C(=O)[O-])c(Cl)c1 ZINC000829990799 603256134 /nfs/dbraw/zinc/25/61/34/603256134.db2.gz IBWDKVDXJYPITK-LBPRGKRZSA-N -1 0 339.823 3.563 20 0 EHADRM CC[C@H](NC(=O)c1ccc(NC(=O)[O-])cc1)c1cc(F)ccc1F ZINC000736917616 603258084 /nfs/dbraw/zinc/25/80/84/603258084.db2.gz SRSWDUWRKSGEET-HNNXBMFYSA-N -1 0 334.322 3.936 20 0 EHADRM Cc1cccc(NC(=O)[C@H](NC(=O)[O-])c2cccc(Cl)c2)c1C ZINC000740168342 603262982 /nfs/dbraw/zinc/26/29/82/603262982.db2.gz BVJZPQWQHORXRM-OAHLLOKOSA-N -1 0 332.787 3.904 20 0 EHADRM CSc1ccccc1NC(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000829772013 603277426 /nfs/dbraw/zinc/27/74/26/603277426.db2.gz LHIBUHUICIUYRO-LRDDRELGSA-N -1 0 344.436 3.992 20 0 EHADRM CCOc1ccccc1NC(=O)[C@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000827459664 603277645 /nfs/dbraw/zinc/27/76/45/603277645.db2.gz IQONPFVESPHBDD-CXAGYDPISA-N -1 0 342.395 3.669 20 0 EHADRM O=C([O-])NC1CCC(C(=O)Nc2ccc(CC(F)(F)F)cc2)CC1 ZINC000740557636 603278262 /nfs/dbraw/zinc/27/82/62/603278262.db2.gz NXYFJPOHVZOHMX-UHFFFAOYSA-N -1 0 344.333 3.556 20 0 EHADRM CCC[C@H](CCc1ccccc1)NC(=O)CC1CCN(C(=O)[O-])CC1 ZINC000739308602 603279832 /nfs/dbraw/zinc/27/98/32/603279832.db2.gz YKFSZZYQJRTKSU-GOSISDBHSA-N -1 0 346.471 3.684 20 0 EHADRM COc1cc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)ccc1NC(=O)[O-] ZINC000829167921 603282537 /nfs/dbraw/zinc/28/25/37/603282537.db2.gz SZRWUOQQZLZUJS-RWMBFGLXSA-N -1 0 347.415 3.875 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NCc2cc3ccccc3[nH]2)c(Cl)c1 ZINC000740697217 603292865 /nfs/dbraw/zinc/29/28/65/603292865.db2.gz FIHQPSQRWMVRJF-UHFFFAOYSA-N -1 0 343.770 3.841 20 0 EHADRM Cc1ccc(CC(=O)N2CCCN(C(=O)[O-])c3ccccc32)s1 ZINC000740122272 603298386 /nfs/dbraw/zinc/29/83/86/603298386.db2.gz JRXWRQWUZMFYKA-UHFFFAOYSA-N -1 0 330.409 3.520 20 0 EHADRM CC(C)C[C@@H](C(=O)N1CCC(CN(C)C(=O)[O-])CC1)c1ccccc1 ZINC000738809265 603301308 /nfs/dbraw/zinc/30/13/08/603301308.db2.gz WYVJZKRMADSNRT-GOSISDBHSA-N -1 0 346.471 3.665 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CCC(N(C)C(=O)[O-])CC2)cc1 ZINC000737651857 603306082 /nfs/dbraw/zinc/30/60/82/603306082.db2.gz SLXCSZOMDABENW-ZWKOTPCHSA-N -1 0 344.455 3.514 20 0 EHADRM CS[C@H]1CC[C@@H](NC(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])C1 ZINC000829711755 603313487 /nfs/dbraw/zinc/31/34/87/603313487.db2.gz WQTGRIBMXLPJPN-KGLIPLIRSA-N -1 0 349.456 3.523 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)Nc2cccc(CNC(=O)[O-])c2)c1C ZINC000740161143 603322510 /nfs/dbraw/zinc/32/25/10/603322510.db2.gz BNVPVPZYBMWEMT-CQSZACIVSA-N -1 0 341.411 3.954 20 0 EHADRM C[C@@H]1CC[C@@H](NC(=O)Nc2ccccc2CN(C)C(=O)[O-])[C@@H](C)C1 ZINC000739084083 603333411 /nfs/dbraw/zinc/33/34/11/603333411.db2.gz GZHPLAGAUQPQCP-VNHYZAJKSA-N -1 0 333.432 3.743 20 0 EHADRM Cc1cc(CNC(=O)Nc2ccccc2CN(C)C(=O)[O-])ccc1F ZINC000740072059 603337226 /nfs/dbraw/zinc/33/72/26/603337226.db2.gz BDGOVNVOEJXSDC-UHFFFAOYSA-N -1 0 345.374 3.566 20 0 EHADRM CN(Cc1cccc(NC(=O)N2CCCC(C)(C)CC2)c1)C(=O)[O-] ZINC000828375402 603338033 /nfs/dbraw/zinc/33/80/33/603338033.db2.gz GGOJXHYWJPDBQJ-UHFFFAOYSA-N -1 0 333.432 3.840 20 0 EHADRM C[C@H](C(=O)Nc1ccc2ncccc2c1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823716230 603340850 /nfs/dbraw/zinc/34/08/50/603340850.db2.gz ZEBGHTJBCNZBKN-UGSOOPFHSA-N -1 0 349.390 3.818 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N[C@H](C)c1ccc(C)o1)C(=O)[O-] ZINC000739446835 603349995 /nfs/dbraw/zinc/34/99/95/603349995.db2.gz LTVBRDRYFCQZTK-CYBMUJFWSA-N -1 0 345.399 3.971 20 0 EHADRM COc1cc(NC(=O)c2cccc3cc[nH]c32)ccc1NC(=O)[O-] ZINC000829197314 603351331 /nfs/dbraw/zinc/35/13/31/603351331.db2.gz GQVYOVXNKVMHML-UHFFFAOYSA-N -1 0 325.324 3.519 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N[C@H](C)Cc1ccco1)C(=O)[O-] ZINC000739447733 603351844 /nfs/dbraw/zinc/35/18/44/603351844.db2.gz ODPSJKUJUJKPPL-CYBMUJFWSA-N -1 0 345.399 3.532 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N1CCC[C@H](C)CC1)C(=O)[O-] ZINC000739449551 603353541 /nfs/dbraw/zinc/35/35/41/603353541.db2.gz YOBDBWRXGJPGSK-AWEZNQCLSA-N -1 0 333.432 3.840 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)c1ccc(CNC(=O)[O-])o1 ZINC000829860388 603356710 /nfs/dbraw/zinc/35/67/10/603356710.db2.gz YMHPLCCHZJJJMD-NSHDSACASA-N -1 0 342.351 3.593 20 0 EHADRM CC[C@H]1CCCN(C(=O)Nc2cccc(CN(C)C(=O)[O-])c2)CC1 ZINC000739266827 603363058 /nfs/dbraw/zinc/36/30/58/603363058.db2.gz IIZHRQOLXNMXOP-AWEZNQCLSA-N -1 0 333.432 3.840 20 0 EHADRM Cc1cc(CNC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)ccc1F ZINC000830041163 603365379 /nfs/dbraw/zinc/36/53/79/603365379.db2.gz IJRRDKBKDPGLDG-GFCCVEGCSA-N -1 0 345.374 3.784 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1)c1nccs1 ZINC000826613481 603371186 /nfs/dbraw/zinc/37/11/86/603371186.db2.gz KCFGMYSQUDTBHA-MFKMUULPSA-N -1 0 348.428 3.745 20 0 EHADRM COc1cc(C)ccc1NC(=O)[C@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000829100954 603373113 /nfs/dbraw/zinc/37/31/13/603373113.db2.gz BTLHRNBEHRHGPR-DYVFJYSZSA-N -1 0 342.395 3.587 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N[C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000825426327 603375804 /nfs/dbraw/zinc/37/58/04/603375804.db2.gz BXJWJCKWDOWFQT-JCURWCKSSA-N -1 0 339.395 3.693 20 0 EHADRM CCN(Cc1ccoc1)C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000827193837 603377501 /nfs/dbraw/zinc/37/75/01/603377501.db2.gz SSZXKHRGUGMJBD-GFCCVEGCSA-N -1 0 331.372 3.662 20 0 EHADRM CC(C)c1cccc(NC(=S)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1 ZINC000738876439 603378543 /nfs/dbraw/zinc/37/85/43/603378543.db2.gz LJUOYYSAZGZHPD-MQVJKMGUSA-N -1 0 347.484 3.770 20 0 EHADRM C[C@H](c1ccccn1)N(C)C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000825423084 603385395 /nfs/dbraw/zinc/38/53/95/603385395.db2.gz NFDKHYBHRDNBHT-QWHCGFSZSA-N -1 0 342.399 3.635 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N2CC[C@@H](c3ccco3)C2)cc1 ZINC000825426658 603386257 /nfs/dbraw/zinc/38/62/57/603386257.db2.gz IAGAUQWQJLHEOL-TZMCWYRMSA-N -1 0 343.383 3.630 20 0 EHADRM C[C@H](c1nc(-c2ccsc2)no1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000825645393 603409119 /nfs/dbraw/zinc/40/91/19/603409119.db2.gz OASJGHCTOCBHQL-GXFFZTMASA-N -1 0 329.381 3.911 20 0 EHADRM C[C@@]1(c2nc(C3(NC(=O)[O-])CCCC3)no2)CCc2ccccc2C1 ZINC000825772511 603415929 /nfs/dbraw/zinc/41/59/29/603415929.db2.gz LETBJHGWUSBQDM-GOSISDBHSA-N -1 0 341.411 3.553 20 0 EHADRM CO[C@@H](C)c1nc(C)c(C(=O)Nc2ccc(NC(=O)[O-])cc2)s1 ZINC000828830266 603442502 /nfs/dbraw/zinc/44/25/02/603442502.db2.gz JGKRLQVZDJJACP-VIFPVBQESA-N -1 0 335.385 3.501 20 0 EHADRM C[C@@H](C(=O)Nc1cccc2cnccc21)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823722309 603447794 /nfs/dbraw/zinc/44/77/94/603447794.db2.gz DPKBDESCVMYGFC-FZKQIMNGSA-N -1 0 349.390 3.818 20 0 EHADRM CCc1ccc(NC(=O)N2CCC(N(CC3CC3)C(=O)[O-])CC2)cc1 ZINC000827589602 603451372 /nfs/dbraw/zinc/45/13/72/603451372.db2.gz PDCMWKCQLVXPPI-UHFFFAOYSA-N -1 0 345.443 3.635 20 0 EHADRM CCCc1cc(C(=O)N(C)C2CCC(NC(=O)[O-])CC2)sc1C ZINC000826949733 603470578 /nfs/dbraw/zinc/47/05/78/603470578.db2.gz RMSWUCORQHECIM-UHFFFAOYSA-N -1 0 338.473 3.660 20 0 EHADRM COc1ccc(F)c(NC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)c1 ZINC000829414264 603476780 /nfs/dbraw/zinc/47/67/80/603476780.db2.gz PAVNKXPMHLZNLQ-SNVBAGLBSA-N -1 0 347.346 3.807 20 0 EHADRM COCc1c2ccccc2oc1C(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000829035202 603478107 /nfs/dbraw/zinc/47/81/07/603478107.db2.gz FUFWHEZMQVLHEQ-UHFFFAOYSA-N -1 0 341.319 3.888 20 0 EHADRM C[C@@H](CCOc1ccccc1)C(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000824810611 603515061 /nfs/dbraw/zinc/51/50/61/603515061.db2.gz RPCFBOYGWYAFIU-ZDUSSCGKSA-N -1 0 329.352 3.787 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000829867681 603518359 /nfs/dbraw/zinc/51/83/59/603518359.db2.gz RFZKJUOKFXMUGC-HNNXBMFYSA-N -1 0 336.432 3.541 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N(C)[C@@H](C)C(C)C ZINC000829167533 603530867 /nfs/dbraw/zinc/53/08/67/603530867.db2.gz MXOHXSVFQKTZDU-VIFPVBQESA-N -1 0 328.796 3.555 20 0 EHADRM Cc1ccc(C(=O)N2c3ccccc3OC[C@H]2C)cc1NC(=O)[O-] ZINC000830205222 603546853 /nfs/dbraw/zinc/54/68/53/603546853.db2.gz NEXGWWWJXWZTBQ-GFCCVEGCSA-N -1 0 326.352 3.513 20 0 EHADRM Cc1c(F)cccc1NC(=O)N1CCC[C@H]([C@H]2CCCN2C(=O)[O-])C1 ZINC000829872539 603610392 /nfs/dbraw/zinc/61/03/92/603610392.db2.gz XCIQWXUDMNVJBN-XJKSGUPXSA-N -1 0 349.406 3.520 20 0 EHADRM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000825638229 603660877 /nfs/dbraw/zinc/66/08/77/603660877.db2.gz LHLFNYVPKIONOQ-ZTFGCOKTSA-N -1 0 344.455 3.813 20 0 EHADRM CCc1ccc(CC)c(NC(=O)NC2CCC(NC(=O)[O-])CC2)c1 ZINC000827584049 603814195 /nfs/dbraw/zinc/81/41/95/603814195.db2.gz NYTVKFWEWGATRE-UHFFFAOYSA-N -1 0 333.432 3.512 20 0 EHADRM Cc1cc(C)cc(NC(=S)N(C)CC[C@H](NC(=O)[O-])C(C)C)c1 ZINC000830003829 603831668 /nfs/dbraw/zinc/83/16/68/603831668.db2.gz LYYJHCGZNBVFBZ-HNNXBMFYSA-N -1 0 337.489 3.614 20 0 EHADRM C[C@@H](OC(=O)[C@@H](NC(=O)[O-])c1ccccc1)c1cc(F)ccc1F ZINC000825598219 603832927 /nfs/dbraw/zinc/83/29/27/603832927.db2.gz GVKMRKOYERKNRN-BMIGLBTASA-N -1 0 335.306 3.578 20 0 EHADRM COc1ccc(N(C)C(=O)Cc2ccc(NC(=O)[O-])cc2)cc1Cl ZINC000829423095 603882510 /nfs/dbraw/zinc/88/25/10/603882510.db2.gz AEHQHRMGEFNDRB-UHFFFAOYSA-N -1 0 348.786 3.644 20 0 EHADRM O=C([O-])Nc1ccc(C(F)(F)F)cc1NC(=O)C1CC(F)(F)C1 ZINC000832838193 603916251 /nfs/dbraw/zinc/91/62/51/603916251.db2.gz FJPNPEXQXIQGIQ-UHFFFAOYSA-N -1 0 338.232 3.779 20 0 EHADRM Cc1ccc(NC(=O)C[C@@H](Cc2ccccc2)NC(=O)[O-])c(Cl)c1 ZINC000830364894 603936885 /nfs/dbraw/zinc/93/68/85/603936885.db2.gz VCNQQINUMUCSBA-CQSZACIVSA-N -1 0 346.814 3.856 20 0 EHADRM Cc1cc(C(=O)Nc2cccc3c2CCN3C(=O)[O-])c(C)n1C(C)C ZINC000829966323 603944276 /nfs/dbraw/zinc/94/42/76/603944276.db2.gz YKPQLDPKGVEYCO-UHFFFAOYSA-N -1 0 341.411 3.979 20 0 EHADRM Cc1ccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c(Cl)c1 ZINC000830365300 603968031 /nfs/dbraw/zinc/96/80/31/603968031.db2.gz YRBJXCNOMDOCQG-YHWZYXNKSA-N -1 0 336.819 3.898 20 0 EHADRM CCN(CCC(F)(F)F)C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000827110958 603979118 /nfs/dbraw/zinc/97/91/18/603979118.db2.gz JEFDGGHLTPQCND-UHFFFAOYSA-N -1 0 345.321 3.533 20 0 EHADRM C[C@H]1CCCC[C@H]1N(C)C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000825895546 603986966 /nfs/dbraw/zinc/98/69/66/603986966.db2.gz MAZMBOVGIUDIQA-SWLSCSKDSA-N -1 0 331.416 3.770 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000825861385 603994358 /nfs/dbraw/zinc/99/43/58/603994358.db2.gz STMBVCQWCMRVST-WWGRRREGSA-N -1 0 343.427 3.912 20 0 EHADRM CN(Cc1ccccc1NC(=O)N(C1CC1)C1CCCC1)C(=O)[O-] ZINC000828393233 604013494 /nfs/dbraw/zinc/01/34/94/604013494.db2.gz JMGMCXPWKLHMMO-UHFFFAOYSA-N -1 0 331.416 3.735 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)Nc2cccnc2Cl)cc1 ZINC000825443052 604029246 /nfs/dbraw/zinc/02/92/46/604029246.db2.gz WQIZQSZFPQHMBH-VIFPVBQESA-N -1 0 334.763 3.708 20 0 EHADRM Cc1c(Cl)cccc1NC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000829871519 604062235 /nfs/dbraw/zinc/06/22/35/604062235.db2.gz BQESELJGVOXVOZ-VXGBXAGGSA-N -1 0 339.823 3.548 20 0 EHADRM CCC(CC)N(C(=O)Nc1ccccc1CN(C)C(=O)[O-])C1CC1 ZINC000826572318 604142714 /nfs/dbraw/zinc/14/27/14/604142714.db2.gz UWFFGEXQNDRFMQ-UHFFFAOYSA-N -1 0 333.432 3.981 20 0 EHADRM CC(C)c1ccc(CCC(=O)N2CCC[C@H]([C@H](C)NC(=O)[O-])C2)cc1 ZINC000824463948 604197490 /nfs/dbraw/zinc/19/74/90/604197490.db2.gz NTFSABKWDRXTHD-YJBOKZPZSA-N -1 0 346.471 3.637 20 0 EHADRM Cc1nc2ccccc2nc1CNc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000830793034 604220115 /nfs/dbraw/zinc/22/01/15/604220115.db2.gz KXOJWGUDVVQKTD-GFCCVEGCSA-N -1 0 336.395 3.879 20 0 EHADRM O=C([O-])N(CC1CC1)C1CCN(C(=O)C2CCCCCCC2)CC1 ZINC000831272800 604246189 /nfs/dbraw/zinc/24/61/89/604246189.db2.gz LCOBOPPAQYTXGR-UHFFFAOYSA-N -1 0 336.476 3.728 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000740015657 604252003 /nfs/dbraw/zinc/25/20/03/604252003.db2.gz OSXWJAXREXCMML-UHFFFAOYSA-N -1 0 342.439 3.652 20 0 EHADRM CC(C)[C@@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccc(F)cc1 ZINC000826710954 604272402 /nfs/dbraw/zinc/27/24/02/604272402.db2.gz SUXNAZCPGSIENY-MRXNPFEDSA-N -1 0 333.334 3.790 20 0 EHADRM COc1ccc(C(C)(C)C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000237160219 604280200 /nfs/dbraw/zinc/28/02/00/604280200.db2.gz NCXDLXHSZXYRHE-UHFFFAOYSA-N -1 0 347.798 3.963 20 0 EHADRM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC000828184646 604292867 /nfs/dbraw/zinc/29/28/67/604292867.db2.gz RNRXPGRTVDOBBZ-PIGZYNQJSA-N -1 0 345.345 3.886 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000192870419 604300307 /nfs/dbraw/zinc/30/03/07/604300307.db2.gz GVHACWAHPJCWQX-MLGOLLRUSA-N -1 0 331.799 3.840 20 0 EHADRM Cc1ccccc1CC(C)(C)NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000832981095 604307021 /nfs/dbraw/zinc/30/70/21/604307021.db2.gz XTEJVKXBMGSXIE-UHFFFAOYSA-N -1 0 329.371 3.583 20 0 EHADRM CC[C@](NC(=O)Cc1ccc(F)cc1Cl)(C(=O)[O-])c1ccccc1 ZINC000828939259 604311236 /nfs/dbraw/zinc/31/12/36/604311236.db2.gz FEKFZEDVIIKGNC-GOSISDBHSA-N -1 0 349.789 3.528 20 0 EHADRM CCc1cccc(C)c1NC(=O)C[C@H](C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000827594230 604314246 /nfs/dbraw/zinc/31/42/46/604314246.db2.gz GUPHQKSBHATEAD-GOEBONIOSA-N -1 0 332.444 3.912 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(CCc2ccc(F)cc2)C2CC2)cc1F ZINC000833310438 604317624 /nfs/dbraw/zinc/31/76/24/604317624.db2.gz PRTRMYJZJFRQML-UHFFFAOYSA-N -1 0 345.345 3.510 20 0 EHADRM CCOCCC1(CNC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)CCC1 ZINC000829994774 604327179 /nfs/dbraw/zinc/32/71/79/604327179.db2.gz SMAWPQGKZOLTRN-UHFFFAOYSA-N -1 0 349.431 3.519 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)N[C@](C)(CNC(=O)[O-])C1CC1 ZINC000830472701 604338762 /nfs/dbraw/zinc/33/87/62/604338762.db2.gz SEICCAMBKBPSAN-GOSISDBHSA-N -1 0 333.432 3.676 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)[C@H]1CCc2ccccc21)c1ccccc1 ZINC000826090617 604378120 /nfs/dbraw/zinc/37/81/20/604378120.db2.gz VCRWYMUXRQGCHL-ROUUACIJSA-N -1 0 337.419 3.685 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000826103073 604385401 /nfs/dbraw/zinc/38/54/01/604385401.db2.gz MQCVUJKGWLLIAF-OAHLLOKOSA-N -1 0 333.334 3.547 20 0 EHADRM CCN(Cc1ccccc1NC(=O)c1cccc(C)c1F)C(=O)[O-] ZINC000827186834 604428224 /nfs/dbraw/zinc/42/82/24/604428224.db2.gz HAWJBGPRCPYRLZ-UHFFFAOYSA-N -1 0 330.359 3.886 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000826631140 604440203 /nfs/dbraw/zinc/44/02/03/604440203.db2.gz DSVGJWYLGWGQCS-QGZVFWFLSA-N -1 0 348.443 3.863 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)[C@@H](C)c2ccccc2F)cc1 ZINC000825372379 604453548 /nfs/dbraw/zinc/45/35/48/604453548.db2.gz NFOWEIMMJGFMBC-STQMWFEESA-N -1 0 344.386 3.574 20 0 EHADRM C[C@@H](C[C@@H](O)c1ccc(F)cc1)Nc1nc(Cl)c(C(=O)[O-])s1 ZINC000827396424 604459742 /nfs/dbraw/zinc/45/97/42/604459742.db2.gz DUDOFXUIXKFTDX-OIBJUYFYSA-N -1 0 344.795 3.558 20 0 EHADRM CC(C)(C)O[C@@H](C(=O)OCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000833445592 604470964 /nfs/dbraw/zinc/47/09/64/604470964.db2.gz CYPKLLJHQMBBFA-QGZVFWFLSA-N -1 0 342.391 3.984 20 0 EHADRM CCC(CC)c1cc(CNC(=O)Nc2cc(C(=O)[O-])cs2)on1 ZINC000828862072 604484989 /nfs/dbraw/zinc/48/49/89/604484989.db2.gz HZCYGPUTYLSOOK-UHFFFAOYSA-N -1 0 337.401 3.660 20 0 EHADRM Cc1cnn(-c2ccc(C(=O)[O-])cc2NC(=O)c2sccc2C)c1 ZINC000833754539 604487872 /nfs/dbraw/zinc/48/78/72/604487872.db2.gz UCMHKPCQXVPORV-UHFFFAOYSA-N -1 0 341.392 3.501 20 0 EHADRM O=C([O-])c1csc(NC(=O)N2CCS[C@@H](c3ccccc3)C2)c1 ZINC000833342570 604491638 /nfs/dbraw/zinc/49/16/38/604491638.db2.gz MXZVWUTUBBWSAI-CYBMUJFWSA-N -1 0 348.449 3.768 20 0 EHADRM CN(Cc1cccs1)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000830864777 604520379 /nfs/dbraw/zinc/52/03/79/604520379.db2.gz AVORQBDYKJXYCN-OAHLLOKOSA-N -1 0 346.452 3.742 20 0 EHADRM CC[C@@]1(C)CCN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000829044104 604520395 /nfs/dbraw/zinc/52/03/95/604520395.db2.gz LJAFPGCUYITUEN-KXBFYZLASA-N -1 0 332.444 3.670 20 0 EHADRM CC[C@@H]1C[C@H](C)CN1C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000829074145 604522834 /nfs/dbraw/zinc/52/28/34/604522834.db2.gz AFLFGLTZFYXWDL-NUEKZKHPSA-N -1 0 332.444 3.669 20 0 EHADRM O=C([O-])[C@H]1CCCN1Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000263388706 604524282 /nfs/dbraw/zinc/52/42/82/604524282.db2.gz DQJAPMSAIPNCDY-CYBMUJFWSA-N -1 0 328.393 3.605 20 0 EHADRM Cc1ccc(NC(=O)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)c(C)c1 ZINC000830391033 604525355 /nfs/dbraw/zinc/52/53/55/604525355.db2.gz ZXXJGFYBOHXFLR-CQSZACIVSA-N -1 0 341.411 3.954 20 0 EHADRM Cc1cc(F)ccc1NC(=O)NCc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000830069002 604527189 /nfs/dbraw/zinc/52/71/89/604527189.db2.gz SDTLJYNYZDLQTP-LBPRGKRZSA-N -1 0 345.374 3.784 20 0 EHADRM Cc1occc1CN(C)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833029799 604538096 /nfs/dbraw/zinc/53/80/96/604538096.db2.gz JHWZPSKTOYCIHC-INIZCTEOSA-N -1 0 344.411 3.582 20 0 EHADRM O=C([O-])c1cc(Oc2ccccc2)ccc1NC(=O)[C@H]1CCCCO1 ZINC000833300804 604544056 /nfs/dbraw/zinc/54/40/56/604544056.db2.gz LYOGXASIEARYOD-QGZVFWFLSA-N -1 0 341.363 3.685 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)NCCc2cccc(C(=O)[O-])c2)cc1 ZINC000539676826 604549057 /nfs/dbraw/zinc/54/90/57/604549057.db2.gz JVWLYJNKKAJFKM-UHFFFAOYSA-N -1 0 341.407 3.535 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)[C@@H](C)Oc2cccc(C)c2)oc1C(=O)[O-] ZINC000832973303 604554980 /nfs/dbraw/zinc/55/49/80/604554980.db2.gz VBORUSVHAFXMSO-CHWSQXEVSA-N -1 0 332.352 3.666 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)[C@@H](C)Oc2ccc(C)cc2)oc1C(=O)[O-] ZINC000832953103 604559404 /nfs/dbraw/zinc/55/94/04/604559404.db2.gz MIZKODUMRIXFIY-CHWSQXEVSA-N -1 0 332.352 3.666 20 0 EHADRM CC(C)c1ccc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)cn1 ZINC000827111927 604560087 /nfs/dbraw/zinc/56/00/87/604560087.db2.gz AIDQKHDNBJYDML-UHFFFAOYSA-N -1 0 340.423 3.712 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000262847133 604576809 /nfs/dbraw/zinc/57/68/09/604576809.db2.gz CSQICGXDKUEPOZ-ZDUSSCGKSA-N -1 0 333.384 3.634 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccncc1 ZINC000833459479 604587109 /nfs/dbraw/zinc/58/71/09/604587109.db2.gz XOCZISKRZFEFQB-UHFFFAOYSA-N -1 0 347.802 3.533 20 0 EHADRM C[C@@H]1CC[C@H](C)CN1C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833601989 604589903 /nfs/dbraw/zinc/58/99/03/604589903.db2.gz GKUCIBLEFVYZSG-QWHCGFSZSA-N -1 0 336.457 3.906 20 0 EHADRM Cc1ccc(C(=O)N2CCOc3c(Cl)cccc32)cc1NC(=O)[O-] ZINC000830199223 604593665 /nfs/dbraw/zinc/59/36/65/604593665.db2.gz VZZCADCLKRCFGS-UHFFFAOYSA-N -1 0 346.770 3.778 20 0 EHADRM CC(C)Cn1cc(C(=O)Nc2cncc(C(=O)[O-])c2)c2ccccc21 ZINC000833493872 604598025 /nfs/dbraw/zinc/59/80/25/604598025.db2.gz LERPMXUSMCFORZ-UHFFFAOYSA-N -1 0 337.379 3.643 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)[C@H](C)COc2ccccc2)oc1C(=O)[O-] ZINC000832874235 604599964 /nfs/dbraw/zinc/59/99/64/604599964.db2.gz JSGSRXBZPAVUFY-CHWSQXEVSA-N -1 0 332.352 3.606 20 0 EHADRM CC(C)c1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)cn1 ZINC000827117776 604610212 /nfs/dbraw/zinc/61/02/12/604610212.db2.gz JKXUDNZAYXBSIS-HNNXBMFYSA-N -1 0 333.771 3.841 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000326790428 604613874 /nfs/dbraw/zinc/61/38/74/604613874.db2.gz PYRSFSCLRLEDKP-INIZCTEOSA-N -1 0 336.391 3.729 20 0 EHADRM CCN(C(=O)NCc1ccc([C@H](C)NC(=O)[O-])cc1)[C@@H](C)C(C)C ZINC000826980437 604620685 /nfs/dbraw/zinc/62/06/85/604620685.db2.gz VHNJKAXPYYIIQH-KBPBESRZSA-N -1 0 335.448 3.591 20 0 EHADRM CCCn1ccc2ccc(NC(=O)N3CCC[C@H]3CC(=O)[O-])cc21 ZINC000829585020 604632532 /nfs/dbraw/zinc/63/25/32/604632532.db2.gz AKOFZVRZJFLFAX-HNNXBMFYSA-N -1 0 329.400 3.522 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)c1nc(C(F)(F)F)cs1)C(=O)[O-] ZINC000827456683 604632914 /nfs/dbraw/zinc/63/29/14/604632914.db2.gz ZYPFIKHEUOSTJN-JTQLQIEISA-N -1 0 344.358 3.889 20 0 EHADRM CSc1ccc(NC(=O)N2CCC[C@H]2CC(=O)[O-])cc1Cl ZINC000832781052 604635621 /nfs/dbraw/zinc/63/56/21/604635621.db2.gz PDHFRIQSPREXQV-JTQLQIEISA-N -1 0 328.821 3.533 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000833214412 604636899 /nfs/dbraw/zinc/63/68/99/604636899.db2.gz SDGRQEAOBZDOJV-CYBMUJFWSA-N -1 0 344.333 3.653 20 0 EHADRM COC(=O)c1ccc(NCc2cc3ccccc3o2)cc1C(=O)[O-] ZINC000831434897 604642352 /nfs/dbraw/zinc/64/23/52/604642352.db2.gz JKXQIVSOOXPALX-UHFFFAOYSA-N -1 0 325.320 3.530 20 0 EHADRM CCCOc1cccc(CC(=O)N(CC)c2ccccc2C(=O)[O-])c1 ZINC000829537966 604659103 /nfs/dbraw/zinc/65/91/03/604659103.db2.gz MCSFIILBNXJKLB-UHFFFAOYSA-N -1 0 341.407 3.769 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000833265471 604665369 /nfs/dbraw/zinc/66/53/69/604665369.db2.gz BQDLGRAGIQJQTH-UHFFFAOYSA-N -1 0 341.260 3.724 20 0 EHADRM Cc1cc([C@H](C)Sc2nnc3[nH]c4ccccc4n32)oc1C(=O)[O-] ZINC000832876040 604667096 /nfs/dbraw/zinc/66/70/96/604667096.db2.gz VPYWEEXOECYWHP-VIFPVBQESA-N -1 0 342.380 3.664 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(F)c(Cl)c1)c1ccc(F)cc1 ZINC000833198950 604672287 /nfs/dbraw/zinc/67/22/87/604672287.db2.gz NFCSXRURBKHIRG-AWEZNQCLSA-N -1 0 339.725 3.564 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000833211068 604677568 /nfs/dbraw/zinc/67/75/68/604677568.db2.gz ROQOPZRNUGDBKU-WMZOPIPTSA-N -1 0 330.428 3.567 20 0 EHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000761680318 604695969 /nfs/dbraw/zinc/69/59/69/604695969.db2.gz RFOCTUIGJCMIRS-XFXZXTDPSA-N -1 0 345.782 3.845 20 0 EHADRM CC(C)C[C@@H](C(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccccc1 ZINC000826754455 604723149 /nfs/dbraw/zinc/72/31/49/604723149.db2.gz OCVFVJXDGAQCEH-OAHLLOKOSA-N -1 0 346.452 3.929 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)Cc1ccccc1C(=O)[O-] ZINC000630295367 604789794 /nfs/dbraw/zinc/78/97/94/604789794.db2.gz RHRAIVWBMPSLKM-ZRGWGRIASA-N -1 0 337.419 3.720 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCCc2csc3ccccc23)cc1F ZINC000833143321 604813370 /nfs/dbraw/zinc/81/33/70/604813370.db2.gz GYTYSWFHTWVNFF-UHFFFAOYSA-N -1 0 343.379 3.711 20 0 EHADRM CCn1c2ccc(Cl)cc2nc1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833683489 604820490 /nfs/dbraw/zinc/82/04/90/604820490.db2.gz HXDNQZSTESDELV-QWRGUYRKSA-N -1 0 349.818 3.539 20 0 EHADRM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC000832982268 604824458 /nfs/dbraw/zinc/82/44/58/604824458.db2.gz QVTBSMXYIWCIMZ-HIFRSBDPSA-N -1 0 341.382 3.851 20 0 EHADRM Cc1c(CNC(=O)c2ccc(C(=O)[O-])c(F)c2)oc2ccccc12 ZINC000832853673 604824547 /nfs/dbraw/zinc/82/45/47/604824547.db2.gz RUDXMOZTNPUJEY-UHFFFAOYSA-N -1 0 327.311 3.509 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)Cc2cc(F)c(F)cc2F)c1 ZINC000833117379 604824654 /nfs/dbraw/zinc/82/46/54/604824654.db2.gz SISRNOXAHKHVNH-UHFFFAOYSA-N -1 0 343.688 3.637 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1cnc(C(C)C)s1)c1ccccc1 ZINC000828595237 604826606 /nfs/dbraw/zinc/82/66/06/604826606.db2.gz UVIIATAFTVDYPL-ZDUSSCGKSA-N -1 0 332.425 3.777 20 0 EHADRM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828151361 604827881 /nfs/dbraw/zinc/82/78/81/604827881.db2.gz WEIMCJDHKZNBAS-DZGCQCFKSA-N -1 0 341.382 3.617 20 0 EHADRM CC(C)(C)OC(=O)CCC(C)(C)Nc1nc(Cl)c(C(=O)[O-])s1 ZINC000833457194 604831909 /nfs/dbraw/zinc/83/19/09/604831909.db2.gz TUAWXKMECUASJC-UHFFFAOYSA-N -1 0 348.852 3.807 20 0 EHADRM Cc1cc(F)ccc1C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC000832890528 604840173 /nfs/dbraw/zinc/84/01/73/604840173.db2.gz VNWNSBDMALNWOI-UHFFFAOYSA-N -1 0 345.355 3.536 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2CCCc3sccc32)c(F)cc1F ZINC000322407391 604840692 /nfs/dbraw/zinc/84/06/92/604840692.db2.gz XQALRSHHMZHXRX-SECBINFHSA-N -1 0 337.347 3.783 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)C[C@H](C)c2ccccc2)cc1 ZINC000013188501 604843274 /nfs/dbraw/zinc/84/32/74/604843274.db2.gz XLAHIXQMIXYTFA-KBXCAEBGSA-N -1 0 341.407 3.521 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)OCc1cc(C)nc2ccccc12 ZINC000832885087 604844359 /nfs/dbraw/zinc/84/43/59/604844359.db2.gz JCNBUSLOUYPGOA-UHFFFAOYSA-N -1 0 338.363 3.543 20 0 EHADRM Cc1ccc2cc(C(=O)O[C@H](C)c3ccc(C(=O)[O-])o3)ccc2n1 ZINC000832962128 604844636 /nfs/dbraw/zinc/84/46/36/604844636.db2.gz QEZPRPZSDKFHTI-LLVKDONJSA-N -1 0 325.320 3.752 20 0 EHADRM C[C@@H](Cc1ccccc1)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000237351076 604844823 /nfs/dbraw/zinc/84/48/23/604844823.db2.gz DGEKJBFRGMFIKV-LBPRGKRZSA-N -1 0 347.798 3.621 20 0 EHADRM CC(C)c1cccc(C(=O)Nc2ccccc2CN(C)C(=O)[O-])n1 ZINC000824470583 604844959 /nfs/dbraw/zinc/84/49/59/604844959.db2.gz QXWUAEVZMJCEIN-UHFFFAOYSA-N -1 0 327.384 3.567 20 0 EHADRM CCCc1ccc(C(=O)COC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000829567036 604854472 /nfs/dbraw/zinc/85/44/72/604854472.db2.gz WFFYZYIWLJTYEO-UHFFFAOYSA-N -1 0 344.338 3.516 20 0 EHADRM CC(C)(C)c1ncc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)s1 ZINC000669434460 604857946 /nfs/dbraw/zinc/85/79/46/604857946.db2.gz GLPKOVNBYXQBSB-LBPRGKRZSA-N -1 0 344.436 3.659 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2CCCc3sccc32)c2ccccc21 ZINC000325873630 604866097 /nfs/dbraw/zinc/86/60/97/604866097.db2.gz LYCOGZZXQABKDC-IUODEOHRSA-N -1 0 341.432 3.773 20 0 EHADRM CN(C(=O)c1ccc(-c2ccco2)s1)C1(C(=O)[O-])CCCCC1 ZINC000833686233 604867239 /nfs/dbraw/zinc/86/72/39/604867239.db2.gz OSDGBKAHIKRQOV-UHFFFAOYSA-N -1 0 333.409 3.868 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)[O-] ZINC000833423543 604877003 /nfs/dbraw/zinc/87/70/03/604877003.db2.gz NLPFNPBAEKMQIF-JTQLQIEISA-N -1 0 337.725 3.588 20 0 EHADRM O=C([O-])c1ccc(C(=O)Oc2cccc(C(F)(F)F)c2)cc1F ZINC000833353960 604880634 /nfs/dbraw/zinc/88/06/34/604880634.db2.gz ZVNHLXLBYYKXGD-UHFFFAOYSA-N -1 0 328.217 3.762 20 0 EHADRM Cc1nc2c(s1)[C@@H](OC(=O)c1ccc(C(=O)[O-])c(F)c1)CCC2 ZINC000833006245 604883773 /nfs/dbraw/zinc/88/37/73/604883773.db2.gz YGBBZCBODCLIQU-ZDUSSCGKSA-N -1 0 335.356 3.523 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC000649364876 604889771 /nfs/dbraw/zinc/88/97/71/604889771.db2.gz UJCXKOKGXYWTJR-SJORKVTESA-N -1 0 329.440 3.530 20 0 EHADRM C[C@]1(NC(=O)c2cnc(-c3ccccc3)s2)CCCC[C@@H]1C(=O)[O-] ZINC000262868652 604891213 /nfs/dbraw/zinc/89/12/13/604891213.db2.gz UTWHELUHIOXOCA-ACJLOTCBSA-N -1 0 344.436 3.573 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cccc(-c3ccoc3)c2)C1 ZINC000683323819 604894964 /nfs/dbraw/zinc/89/49/64/604894964.db2.gz CYVTZLUZOJTQRN-QGZVFWFLSA-N -1 0 341.407 3.910 20 0 EHADRM CCCn1c(C)nnc1S[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000833652843 604905027 /nfs/dbraw/zinc/90/50/27/604905027.db2.gz OOMDBQRZRVMHSG-GFCCVEGCSA-N -1 0 325.821 3.568 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2scnc2C2CC2)cc1 ZINC000431534711 604907277 /nfs/dbraw/zinc/90/72/77/604907277.db2.gz YFQXLQMRHPCPLJ-UHFFFAOYSA-N -1 0 330.409 3.635 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(NC(=O)[O-])cc2)cc1-c1ncco1 ZINC000830396292 604908569 /nfs/dbraw/zinc/90/85/69/604908569.db2.gz XEPRCSNJSGSTPW-UHFFFAOYSA-N -1 0 337.335 3.992 20 0 EHADRM O=C([O-])c1cncc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)c1 ZINC000833341501 604909603 /nfs/dbraw/zinc/90/96/03/604909603.db2.gz UUSARJZMMHNRTD-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)NCCC2CCCC2)cc1Cl ZINC000833258205 604915152 /nfs/dbraw/zinc/91/51/52/604915152.db2.gz ZMAABEIQOBPCSF-UHFFFAOYSA-N -1 0 340.807 3.505 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)N2CCCCCCC2)cc1Cl ZINC000833256744 604916443 /nfs/dbraw/zinc/91/64/43/604916443.db2.gz RFLTVFGXSYDNHJ-UHFFFAOYSA-N -1 0 340.807 3.601 20 0 EHADRM CC[C@@H](C)C[C@H](C)NC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000828736479 604920578 /nfs/dbraw/zinc/92/05/78/604920578.db2.gz HUCNAPCPDNYJOE-MNOVXSKESA-N -1 0 342.823 3.750 20 0 EHADRM C[C@H](CNc1ccccc1)NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000824980390 604927257 /nfs/dbraw/zinc/92/72/57/604927257.db2.gz OPHMACONGPGJPB-LLVKDONJSA-N -1 0 347.802 3.660 20 0 EHADRM CCCc1c(C(=O)Nc2cccc(C(=O)CC)c2)[nH]c(C)c1C(=O)[O-] ZINC000829562517 604940502 /nfs/dbraw/zinc/94/05/02/604940502.db2.gz IVAOUVUXRCJGSX-UHFFFAOYSA-N -1 0 342.395 3.819 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2cccc3[nH]ccc32)cc1Cl ZINC000238006784 604941050 /nfs/dbraw/zinc/94/10/50/604941050.db2.gz PWEKICWZPOKSTP-UHFFFAOYSA-N -1 0 344.754 3.537 20 0 EHADRM CCCCC[C@@H]1CCCN1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000829347136 604946981 /nfs/dbraw/zinc/94/69/81/604946981.db2.gz HAQPUJLXYQHGOO-OAHLLOKOSA-N -1 0 334.416 3.727 20 0 EHADRM C[C@@]1(NC(=O)c2ccc(F)cc2C(F)(F)F)CCCC[C@H]1C(=O)[O-] ZINC000833566810 604958211 /nfs/dbraw/zinc/95/82/11/604958211.db2.gz AIXYXSJDCFNCNZ-XHDPSFHLSA-N -1 0 347.308 3.608 20 0 EHADRM C[C@@]1(NC(=O)c2cc(-c3ccccc3)ns2)CCCC[C@H]1C(=O)[O-] ZINC000833567896 604965759 /nfs/dbraw/zinc/96/57/59/604965759.db2.gz UJEXKBHHKIGPMU-SCLBCKFNSA-N -1 0 344.436 3.573 20 0 EHADRM C[C@]1(NC(=O)c2cc(-c3ccccc3)ns2)CCCC[C@@H]1C(=O)[O-] ZINC000833567894 604965981 /nfs/dbraw/zinc/96/59/81/604965981.db2.gz UJEXKBHHKIGPMU-ACJLOTCBSA-N -1 0 344.436 3.573 20 0 EHADRM CC(C)(C)CCCCNC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833429850 604983703 /nfs/dbraw/zinc/98/37/03/604983703.db2.gz YWCKYZSXDXLUJI-CQSZACIVSA-N -1 0 326.481 3.735 20 0 EHADRM C[C@H](CC(=O)NC(C)(C)CCC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000262759292 604990026 /nfs/dbraw/zinc/99/00/26/604990026.db2.gz KGDIDVUNMYKBJR-LBPRGKRZSA-N -1 0 325.836 3.668 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2cc(C(F)F)ccc2Cl)CCC1 ZINC000649541892 604992857 /nfs/dbraw/zinc/99/28/57/604992857.db2.gz NVJKVZCOLUAIFH-UHFFFAOYSA-N -1 0 332.734 3.797 20 0 EHADRM CCc1nc(NC(=O)C[C@@H](C)c2ccccc2F)sc1C(=O)[O-] ZINC000833675756 604993709 /nfs/dbraw/zinc/99/37/09/604993709.db2.gz GXSOXJAJLHCMNP-SECBINFHSA-N -1 0 336.388 3.675 20 0 EHADRM O=C([O-])[C@H](Nc1cccc(COc2ccccc2)c1)c1cccnc1 ZINC000833170609 604995806 /nfs/dbraw/zinc/99/58/06/604995806.db2.gz RARVUFPLPRXZRA-LJQANCHMSA-N -1 0 334.375 3.898 20 0 EHADRM CCc1nc(NC(=O)CCCOc2cccc(C)c2)sc1C(=O)[O-] ZINC000833676498 604996038 /nfs/dbraw/zinc/99/60/38/604996038.db2.gz PLXROUBGYIQDFR-UHFFFAOYSA-N -1 0 348.424 3.510 20 0 EHADRM Cc1cc(N[C@H](C(=O)[O-])c2cccnc2)ccc1Oc1cccnc1 ZINC000832896832 604996295 /nfs/dbraw/zinc/99/62/95/604996295.db2.gz GNEGMKDLSQPBFU-SFHVURJKSA-N -1 0 335.363 3.815 20 0 EHADRM CC1(c2ccccc2)CCC(NC(=O)NCCCCCC(=O)[O-])CC1 ZINC000828121743 604997428 /nfs/dbraw/zinc/99/74/28/604997428.db2.gz KZUFBKUOVSXQDE-UHFFFAOYSA-N -1 0 346.471 3.831 20 0 EHADRM CC(C)(C)OCc1ccccc1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000833446140 605005286 /nfs/dbraw/zinc/00/52/86/605005286.db2.gz XHNSWXIVAWPNHO-UHFFFAOYSA-N -1 0 341.407 3.630 20 0 EHADRM C[C@@H](c1nc(-c2ccc(C(=O)[O-])cc2)no1)c1c(F)cccc1F ZINC000833550223 605025766 /nfs/dbraw/zinc/02/57/66/605025766.db2.gz LMYUYDFZPHAZAY-SECBINFHSA-N -1 0 330.290 3.865 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)c2cc(F)c(Cl)cc2F)cc1 ZINC000833685706 605030933 /nfs/dbraw/zinc/03/09/33/605030933.db2.gz PVBPCJOYGDZZME-UHFFFAOYSA-N -1 0 340.713 3.985 20 0 EHADRM Cc1ccccc1-c1csc(NC(=O)CC(C)(C)CC(=O)[O-])n1 ZINC000833752900 605067840 /nfs/dbraw/zinc/06/78/40/605067840.db2.gz DQEQRMUZZOKFJP-UHFFFAOYSA-N -1 0 332.425 3.948 20 0 EHADRM CC1(C)CC[C@H](C(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)C1 ZINC000833557647 605071244 /nfs/dbraw/zinc/07/12/44/605071244.db2.gz URAHQBPZLZHPJA-VIFPVBQESA-N -1 0 333.413 3.601 20 0 EHADRM CC(C)[C@H]1C[C@@H](CC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CCO1 ZINC000833470072 605077318 /nfs/dbraw/zinc/07/73/18/605077318.db2.gz GRJNRDBYTVNGJI-WMLDXEAASA-N -1 0 347.455 3.829 20 0 EHADRM CC[C@H]1CN(C(=O)C2CCC(C(=O)[O-])CC2)CC[C@H]1c1ccccc1 ZINC000194435424 605087622 /nfs/dbraw/zinc/08/76/22/605087622.db2.gz PYNXRTDQMPJBHG-GWFLUQINSA-N -1 0 343.467 3.920 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)C2CCC(C(=O)[O-])CC2)C1 ZINC000192968008 605087847 /nfs/dbraw/zinc/08/78/47/605087847.db2.gz MYZOSIBRLRPZGN-WNZJFKNXSA-N -1 0 333.403 3.626 20 0 EHADRM CC1(C)CCc2ccccc2[C@H]1NC(=O)C1CCC(C(=O)[O-])CC1 ZINC000263577337 605091009 /nfs/dbraw/zinc/09/10/09/605091009.db2.gz RKUQRVSAIPBVKI-VMBOVVBDSA-N -1 0 329.440 3.707 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@](C)(c1ccc(F)cc1)C(F)(F)F ZINC000833452923 605096995 /nfs/dbraw/zinc/09/69/95/605096995.db2.gz YIUKAJRXKCYPTD-OAHLLOKOSA-N -1 0 349.324 3.610 20 0 EHADRM CC(C)C[C@@H](C)NC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000833475163 605100629 /nfs/dbraw/zinc/10/06/29/605100629.db2.gz MPEIBEHTRKFCRQ-CYBMUJFWSA-N -1 0 338.473 3.951 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1cc(F)ccc1N1CCCCC1 ZINC000833455736 605106279 /nfs/dbraw/zinc/10/62/79/605106279.db2.gz RDDAKTZPIGEYMX-UHFFFAOYSA-N -1 0 336.407 3.646 20 0 EHADRM CCc1nc(NC(=O)[C@H](CC)c2ccc(OC)cc2)sc1C(=O)[O-] ZINC000833675220 605111617 /nfs/dbraw/zinc/11/16/17/605111617.db2.gz VZLMHJCPUYKCFI-GFCCVEGCSA-N -1 0 348.424 3.545 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000191138034 605114197 /nfs/dbraw/zinc/11/41/97/605114197.db2.gz YHRZCFLGOZTNMY-UHFFFAOYSA-N -1 0 344.238 3.769 20 0 EHADRM CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2ccsc2C(=O)[O-])C1 ZINC000833667122 605127432 /nfs/dbraw/zinc/12/74/32/605127432.db2.gz FPUVNPZMROGNAP-ZJUUUORDSA-N -1 0 328.459 3.584 20 0 EHADRM C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000833548001 605129414 /nfs/dbraw/zinc/12/94/14/605129414.db2.gz HGHPPSJQLQQWQZ-JTQLQIEISA-N -1 0 348.786 3.969 20 0 EHADRM C[C@H](c1cccc(O)c1)N(C)C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000833548003 605129488 /nfs/dbraw/zinc/12/94/88/605129488.db2.gz HGHPPSJQLQQWQZ-SNVBAGLBSA-N -1 0 348.786 3.969 20 0 EHADRM C[C@@H]1C[C@H](C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])CCC1=O ZINC000833588400 605150602 /nfs/dbraw/zinc/15/06/02/605150602.db2.gz HPHVDCBRZJISGU-NXEZZACHSA-N -1 0 337.441 3.688 20 0 EHADRM CCC(CC)n1nc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1C ZINC000761748662 605152430 /nfs/dbraw/zinc/15/24/30/605152430.db2.gz MZNBIAVJKNRIEW-UHFFFAOYSA-N -1 0 333.363 3.642 20 0 EHADRM CC1(c2ccccc2)CCC(NC(=O)C2CCC(C(=O)[O-])CC2)CC1 ZINC000833573274 605152693 /nfs/dbraw/zinc/15/26/93/605152693.db2.gz HEVFXDSMBWCBOH-UHFFFAOYSA-N -1 0 343.467 3.894 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)C1 ZINC000833602103 605157485 /nfs/dbraw/zinc/15/74/85/605157485.db2.gz PDPQEZCBZKKBLF-DTWKUNHWSA-N -1 0 326.190 3.522 20 0 EHADRM CC1(C)C[C@@H]1C(=O)OCc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833557241 605159187 /nfs/dbraw/zinc/15/91/87/605159187.db2.gz DVPQSAYJNKQENO-CYBMUJFWSA-N -1 0 331.393 3.598 20 0 EHADRM Cc1cc(C(=O)N(c2ccc(CNC(=O)[O-])cc2C)C2CC2)oc1C ZINC000830041312 605162452 /nfs/dbraw/zinc/16/24/52/605162452.db2.gz JSSDLWXLXUKUFE-UHFFFAOYSA-N -1 0 342.395 3.782 20 0 EHADRM C[C@@H]1CCC[C@@H](OCCCCCC(=O)N2CCCC[C@@H]2C(=O)[O-])C1 ZINC000833608124 605167035 /nfs/dbraw/zinc/16/70/35/605167035.db2.gz MHVXCFHQBIDZCW-BRWVUGGUSA-N -1 0 339.476 3.608 20 0 EHADRM C[C@H](C(=O)Nc1cncc(C(=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000833411188 605168552 /nfs/dbraw/zinc/16/85/52/605168552.db2.gz MZIPSOSCQNRVIL-QMMMGPOBSA-N -1 0 339.178 3.829 20 0 EHADRM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000385308083 605171963 /nfs/dbraw/zinc/17/19/63/605171963.db2.gz UDXLNEVEXCATRI-CYBMUJFWSA-N -1 0 339.395 3.612 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)c1ccc2c(c1)N=S=N2 ZINC000262962134 605198203 /nfs/dbraw/zinc/19/82/03/605198203.db2.gz OGTQQGCSBFZSHL-VXGBXAGGSA-N -1 0 333.413 3.566 20 0 EHADRM Cc1cc(C(=O)Nc2sc(C)c(C)c2C(=O)[O-])nn1[C@@H](C)C1CC1 ZINC000833758221 605202729 /nfs/dbraw/zinc/20/27/29/605202729.db2.gz SCVQGMQATRRRDB-JTQLQIEISA-N -1 0 347.440 3.791 20 0 EHADRM CCO[C@@H]1C[C@@H](Nc2ccc(CNC(=O)[O-])cc2)C12CCCCC2 ZINC000833661765 605219947 /nfs/dbraw/zinc/21/99/47/605219947.db2.gz XGRLXFCFSCXRDK-IAGOWNOFSA-N -1 0 332.444 3.994 20 0 EHADRM CC(C)(CC(=O)Nc1ccc(F)cc1OC1CCCC1)NC(=O)[O-] ZINC000823886734 605221885 /nfs/dbraw/zinc/22/18/85/605221885.db2.gz XZBJURCMKHSEIN-UHFFFAOYSA-N -1 0 338.379 3.522 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)/C=C/c1ccnc2ccccc12)C(=O)[O-] ZINC000833426161 605233342 /nfs/dbraw/zinc/23/33/42/605233342.db2.gz FLKQBTMJDXAWEW-ROJDOSBLSA-N -1 0 327.380 3.681 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)C(=O)[O-] ZINC000833425065 605234410 /nfs/dbraw/zinc/23/44/10/605234410.db2.gz AXTYVSZOTTXHBQ-CQSZACIVSA-N -1 0 336.432 3.562 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000833641655 605236262 /nfs/dbraw/zinc/23/62/62/605236262.db2.gz LJVZCKMRWSGXDW-UHFFFAOYSA-N -1 0 330.388 3.895 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000826581535 605240216 /nfs/dbraw/zinc/24/02/16/605240216.db2.gz NRUMARYMTCKHDH-UHFFFAOYSA-N -1 0 344.415 3.606 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000761622140 605250284 /nfs/dbraw/zinc/25/02/84/605250284.db2.gz XIUHXVUJGKCQKC-LPHOPBHVSA-N -1 0 339.435 3.930 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000683303377 605259999 /nfs/dbraw/zinc/25/99/99/605259999.db2.gz VBJBHBHAJZXNLG-UHFFFAOYSA-N -1 0 339.382 3.562 20 0 EHADRM CC(C)[C@H](C)C(=O)O[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000833469412 605283554 /nfs/dbraw/zinc/28/35/54/605283554.db2.gz WWZCFYFWHOEZRW-GXFFZTMASA-N -1 0 332.318 3.536 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000263579595 605294523 /nfs/dbraw/zinc/29/45/23/605294523.db2.gz UYFQUKSEXRTRTF-CYBMUJFWSA-N -1 0 345.361 3.801 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)CCCc1ccsc1)c1ccccc1 ZINC000833413305 605298586 /nfs/dbraw/zinc/29/85/86/605298586.db2.gz ZCIDTEKBLWKPIJ-GUYCJALGSA-N -1 0 331.437 3.649 20 0 EHADRM CC(C)(C(=O)Nc1ccc(NC(=O)[O-])c(F)c1)c1ccccc1F ZINC000833411417 605304645 /nfs/dbraw/zinc/30/46/45/605304645.db2.gz GCEXFFGSVYECSO-UHFFFAOYSA-N -1 0 334.322 3.971 20 0 EHADRM C[C@H](Cc1noc([C@H](C)SCc2ccccc2)n1)N(C)C(=O)[O-] ZINC000825623110 605312374 /nfs/dbraw/zinc/31/23/74/605312374.db2.gz GVAYDCDEXYBJTD-NEPJUHHUSA-N -1 0 335.429 3.605 20 0 EHADRM Cc1ccc(SCc2nc(C[C@@H](C)N(C)C(=O)[O-])no2)c(C)c1 ZINC000830426800 605321540 /nfs/dbraw/zinc/32/15/40/605321540.db2.gz BKFCWVMKWTVVNM-GFCCVEGCSA-N -1 0 335.429 3.520 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)c1cccc([C@H]2CCCOC2)c1 ZINC000834275436 605340620 /nfs/dbraw/zinc/34/06/20/605340620.db2.gz HIFOLNBWWAJGAY-HNNXBMFYSA-N -1 0 340.379 3.923 20 0 EHADRM C[C@H]1CCC[C@@H]1C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000833610439 605344621 /nfs/dbraw/zinc/34/46/21/605344621.db2.gz WHUVOQPISJOXIB-ONGXEEELSA-N -1 0 345.317 3.701 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N3CC[C@H](NC(=O)[O-])C[C@@H]3C)[nH]c2c1 ZINC000824469489 605363037 /nfs/dbraw/zinc/36/30/37/605363037.db2.gz ARVPQFNCOCJEOD-WFASDCNBSA-N -1 0 343.427 3.552 20 0 EHADRM Cc1cc(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)cc2n[nH]cc21 ZINC000833900276 605393520 /nfs/dbraw/zinc/39/35/20/605393520.db2.gz BQKARYSLNYORPY-UHFFFAOYSA-N -1 0 344.758 3.867 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)Nc1ccc(CC(=O)[O-])cc1)C(F)(F)F ZINC000833425875 605394795 /nfs/dbraw/zinc/39/47/95/605394795.db2.gz YVQAFMGMQGHRCJ-GFCCVEGCSA-N -1 0 346.349 3.802 20 0 EHADRM CCc1cc(NC(=O)N[C@@H](CC(=O)[O-])c2cccs2)ccc1C ZINC000833671819 605403122 /nfs/dbraw/zinc/40/31/22/605403122.db2.gz QFVNWYIBALSLBZ-AWEZNQCLSA-N -1 0 332.425 3.956 20 0 EHADRM O=C([O-])N1CCC(CSCc2nccn2Cc2ccccc2)CC1 ZINC000834080757 605411916 /nfs/dbraw/zinc/41/19/16/605411916.db2.gz BUTZWALAGHEQFA-UHFFFAOYSA-N -1 0 345.468 3.555 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000833382303 605421509 /nfs/dbraw/zinc/42/15/09/605421509.db2.gz CUQAGLALSATEIN-GXDHUFHOSA-N -1 0 325.364 3.500 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)N2CCC[C@H]2CCC2CCCC2)o1 ZINC000832678883 605422682 /nfs/dbraw/zinc/42/26/82/605422682.db2.gz SMEPXLUNBZIJQT-AWEZNQCLSA-N -1 0 334.416 3.622 20 0 EHADRM C[C@H](c1ccccc1F)N(C)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000325521740 605439035 /nfs/dbraw/zinc/43/90/35/605439035.db2.gz PUXPSAVMYZNGOR-CYBMUJFWSA-N -1 0 336.407 3.563 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000192846881 605441261 /nfs/dbraw/zinc/44/12/61/605441261.db2.gz BHLBFDQPRJJWIP-KSSFIOAISA-N -1 0 343.398 3.645 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000833748231 605448619 /nfs/dbraw/zinc/44/86/19/605448619.db2.gz FOHJBQJBLDVJOW-AWEZNQCLSA-N -1 0 326.396 3.580 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)NCc1cccc(C(=O)[O-])c1)C(F)(F)F ZINC000666564494 605451321 /nfs/dbraw/zinc/45/13/21/605451321.db2.gz YKKBRVJBBWSDNK-LBPRGKRZSA-N -1 0 346.349 3.551 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000431779953 605462146 /nfs/dbraw/zinc/46/21/46/605462146.db2.gz CJIJBBYISJIQCN-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM Cc1ccc(C[C@@H](C)C(=O)OCc2ccccc2CC(=O)[O-])cc1 ZINC000833748070 605462342 /nfs/dbraw/zinc/46/23/42/605462342.db2.gz CDZGWAQKLMIWNY-OAHLLOKOSA-N -1 0 326.392 3.544 20 0 EHADRM O=C([O-])Nc1ccc(CN(Cc2ccco2)Cc2ccccc2)cn1 ZINC000834258897 605463190 /nfs/dbraw/zinc/46/31/90/605463190.db2.gz NAZNQQIICJQKKK-UHFFFAOYSA-N -1 0 337.379 3.967 20 0 EHADRM C[C@@H](C(=O)NCC1(C(=O)[O-])CCCCC1)c1ccc(Cl)s1 ZINC000191508850 605469656 /nfs/dbraw/zinc/46/96/56/605469656.db2.gz AJRXUSFJLLPHMA-SNVBAGLBSA-N -1 0 329.849 3.656 20 0 EHADRM CC(C)(C)Sc1cc(C(=O)Oc2ccc(CC(=O)[O-])cc2)ccn1 ZINC000833447898 605490325 /nfs/dbraw/zinc/49/03/25/605490325.db2.gz FAGPGGJKAQNZSH-UHFFFAOYSA-N -1 0 345.420 3.819 20 0 EHADRM O=C([O-])c1occc1CNc1cc(F)c(N2CCCCC2)c(F)c1 ZINC000833785421 605492520 /nfs/dbraw/zinc/49/25/20/605492520.db2.gz UXIQBCJZVQDOJB-UHFFFAOYSA-N -1 0 336.338 3.858 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N2CCC(c3cccnc3)CC2)cc1 ZINC000834262547 605532829 /nfs/dbraw/zinc/53/28/29/605532829.db2.gz LRMPQBFIDUUWEP-UHFFFAOYSA-N -1 0 340.383 3.583 20 0 EHADRM Cc1ccnn1-c1ccccc1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000833911853 605558435 /nfs/dbraw/zinc/55/84/35/605558435.db2.gz XLSBYCPMNDSEOA-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM C[C@H](NC(=O)C[C@@H](NC(=O)[O-])c1ccccc1)c1ccc(F)c(F)c1 ZINC000825102440 605567144 /nfs/dbraw/zinc/56/71/44/605567144.db2.gz VNEXSNHEIGLWNZ-MEDUHNTESA-N -1 0 348.349 3.541 20 0 EHADRM Cc1cc(Br)cc(NC(=O)[C@H](C)C2CC2)c1NC(=O)[O-] ZINC000833898989 605568030 /nfs/dbraw/zinc/56/80/30/605568030.db2.gz XUUPZTUGFZFZRL-MRVPVSSYSA-N -1 0 341.205 3.832 20 0 EHADRM C[C@H]1CN(C(=O)C[C@H](NC(=O)[O-])c2ccccc2)Cc2ccccc21 ZINC000825974407 605568467 /nfs/dbraw/zinc/56/84/67/605568467.db2.gz IPIORTUSFNKFRU-KSSFIOAISA-N -1 0 338.407 3.531 20 0 EHADRM C[C@@H](c1ccccc1)N(C)C(=O)C[C@H](NC(=O)[O-])c1ccccc1 ZINC000825638669 605570573 /nfs/dbraw/zinc/57/05/73/605570573.db2.gz OCHVLOBYECCIPK-YOEHRIQHSA-N -1 0 326.396 3.605 20 0 EHADRM CSc1ccccc1NC(=O)C[C@H](NC(=O)[O-])c1ccccc1 ZINC000829771987 605574438 /nfs/dbraw/zinc/57/44/38/605574438.db2.gz KWBLHNDMVXQQRX-AWEZNQCLSA-N -1 0 330.409 3.746 20 0 EHADRM C[C@@H](NC(=O)C[C@@H](NC(=O)[O-])c1ccccc1)c1cc(F)ccc1F ZINC000825101244 605579449 /nfs/dbraw/zinc/57/94/49/605579449.db2.gz NXFIKPAHCCWLMU-BDJLRTHQSA-N -1 0 348.349 3.541 20 0 EHADRM O=C([O-])N[C@@H](CC(=O)N(Cc1cccs1)C1CC1)c1ccccc1 ZINC000832094964 605579852 /nfs/dbraw/zinc/57/98/52/605579852.db2.gz XIHFCKGFLOGKQO-INIZCTEOSA-N -1 0 344.436 3.638 20 0 EHADRM CCOc1ccc(NC(=O)c2ccc(NC(=O)[O-])c(C)c2)cc1F ZINC000827439796 605629357 /nfs/dbraw/zinc/62/93/57/605629357.db2.gz RGQPYDRMQMCSPC-UHFFFAOYSA-N -1 0 332.331 3.875 20 0 EHADRM O=C([O-])NC1CCC(Nc2ccc(NC(=O)c3ccco3)cc2)CC1 ZINC000834170439 605693711 /nfs/dbraw/zinc/69/37/11/605693711.db2.gz ZTRWSTJMFWWVFJ-UHFFFAOYSA-N -1 0 343.383 3.523 20 0 EHADRM Cc1cc(C(=O)NC[C@H]2CCCO[C@H]2C(C)(C)C)ccc1NC(=O)[O-] ZINC000829947117 605695643 /nfs/dbraw/zinc/69/56/43/605695643.db2.gz VPDUYWSONNPKCC-GDBMZVCRSA-N -1 0 348.443 3.656 20 0 EHADRM CCS[C@H]1CCC[C@@H](NC(=O)c2ccc(NC(=O)[O-])c(C)c2)C1 ZINC000827495296 605707727 /nfs/dbraw/zinc/70/77/27/605707727.db2.gz IMBFSQODPAMVSO-KGLIPLIRSA-N -1 0 336.457 3.879 20 0 EHADRM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000833606312 605709561 /nfs/dbraw/zinc/70/95/61/605709561.db2.gz OMGXXJNQEVCNPT-ZYHUDNBSSA-N -1 0 344.333 3.508 20 0 EHADRM Cc1cc(C(=O)NC[C@H](c2cccnc2)C(C)C)ccc1NC(=O)[O-] ZINC000829944465 605710023 /nfs/dbraw/zinc/71/00/23/605710023.db2.gz BZQLESDOWNGAQD-INIZCTEOSA-N -1 0 341.411 3.650 20 0 EHADRM COCCC[C@H](C)C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833724720 605714561 /nfs/dbraw/zinc/71/45/61/605714561.db2.gz JBNXOVXLICXCHE-TVQRCGJNSA-N -1 0 349.210 3.725 20 0 EHADRM Cc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)n1C ZINC000833747821 605715808 /nfs/dbraw/zinc/71/58/08/605715808.db2.gz KMYGCFWIQNKNQP-CYBMUJFWSA-N -1 0 342.178 3.623 20 0 EHADRM CCCc1sc(C(=O)N2CC[C@@H](NC(=O)[O-])C[C@H]2C)cc1CC ZINC000826959862 605748656 /nfs/dbraw/zinc/74/86/56/605748656.db2.gz WIHAMMDSFZYQEB-DGCLKSJQSA-N -1 0 338.473 3.524 20 0 EHADRM CC(C)CCc1noc(CSCc2cc(C(=O)[O-])ccc2F)n1 ZINC000833484094 605788377 /nfs/dbraw/zinc/78/83/77/605788377.db2.gz LOLLZKFXHFHAIN-UHFFFAOYSA-N -1 0 338.404 3.929 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)C[C@H]2CCc3ccccc3C2)c(F)c1 ZINC000833775877 605797946 /nfs/dbraw/zinc/79/79/46/605797946.db2.gz ALZOWAXCSKQFAZ-ZDUSSCGKSA-N -1 0 342.366 3.553 20 0 EHADRM O=C([O-])N[C@H]1C[C@@H](NCc2cc(-c3ccccc3)on2)c2ccccc21 ZINC000834159842 605798310 /nfs/dbraw/zinc/79/83/10/605798310.db2.gz YTXKNRDBKOGLTM-MSOLQXFVSA-N -1 0 349.390 3.885 20 0 EHADRM O=C([O-])N[C@@H]1C[C@H](NCc2ccn(C3CCCC3)n2)c2ccccc21 ZINC000834159862 605806397 /nfs/dbraw/zinc/80/63/97/605806397.db2.gz YYRBIDIJMKFJNL-ZWKOTPCHSA-N -1 0 340.427 3.542 20 0 EHADRM CC(=O)c1ccccc1C(=O)OCc1cc(C(=O)[O-])ccc1Cl ZINC000833403149 605816851 /nfs/dbraw/zinc/81/68/51/605816851.db2.gz BQWCRDCDNIZIBT-UHFFFAOYSA-N -1 0 332.739 3.598 20 0 EHADRM O=C([O-])N1CCCN(Cc2nc(C3CCCC3)no2)c2ccccc21 ZINC000834109047 605875086 /nfs/dbraw/zinc/87/50/86/605875086.db2.gz GSMDGSGHLODSTH-UHFFFAOYSA-N -1 0 342.399 3.622 20 0 EHADRM O=C([O-])NCCCCC(=O)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000834235660 605891340 /nfs/dbraw/zinc/89/13/40/605891340.db2.gz WZASFDVTKBPYCE-GOSISDBHSA-N -1 0 340.423 3.941 20 0 EHADRM C[C@H](C(=O)Nc1ccccc1CN(C)C(=O)[O-])c1c(F)cccc1F ZINC000833791205 605925542 /nfs/dbraw/zinc/92/55/42/605925542.db2.gz SWHBRUQRJOICDM-NSHDSACASA-N -1 0 348.349 3.817 20 0 EHADRM Cc1nc(NC(=O)[O-])sc1C(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000833913952 605941586 /nfs/dbraw/zinc/94/15/86/605941586.db2.gz NMBBGCMNSKRUKT-ZDUSSCGKSA-N -1 0 345.424 3.691 20 0 EHADRM O=C([O-])Nc1cccc(COc2ccc(C(=O)N3CCCC3)cc2)c1 ZINC000834269700 605992302 /nfs/dbraw/zinc/99/23/02/605992302.db2.gz NLGGBCMGZPCSTA-UHFFFAOYSA-N -1 0 340.379 3.592 20 0 EHADRM Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000833930719 605995086 /nfs/dbraw/zinc/99/50/86/605995086.db2.gz USEUCUJNSIWPRC-GHMZBOCLSA-N -1 0 345.399 3.752 20 0 EHADRM Cc1noc(C)c1[C@@H](C)CC(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000833930503 605995193 /nfs/dbraw/zinc/99/51/93/605995193.db2.gz SHLRQDSVHCKEBZ-JTQLQIEISA-N -1 0 332.356 3.505 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCCCOC1CCCCC1 ZINC000833906792 606012294 /nfs/dbraw/zinc/01/22/94/606012294.db2.gz MBQDVWSVTCLWFP-UHFFFAOYSA-N -1 0 349.431 3.946 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCCCNc1ccccc1 ZINC000833906839 606012547 /nfs/dbraw/zinc/01/25/47/606012547.db2.gz NYGRSPXSCUUINS-UHFFFAOYSA-N -1 0 342.399 3.709 20 0 EHADRM CN(Cc1ccc(Cl)s1)C(=O)Cc1ccccc1NC(=O)[O-] ZINC000833874775 606041828 /nfs/dbraw/zinc/04/18/28/606041828.db2.gz ZAXAJVAMOQBMLG-UHFFFAOYSA-N -1 0 338.816 3.693 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N[C@H]1CCSc2ccccc21 ZINC000834272085 606042969 /nfs/dbraw/zinc/04/29/69/606042969.db2.gz MYXIGCXMOBGCOR-HNNXBMFYSA-N -1 0 342.420 3.672 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)Nc1ccc(-c2cnco2)cc1 ZINC000834274661 606049343 /nfs/dbraw/zinc/04/93/43/606049343.db2.gz VKXUUVQTVQNQGP-UHFFFAOYSA-N -1 0 337.335 3.613 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)Nc1ccc2scnc2c1 ZINC000834273473 606057924 /nfs/dbraw/zinc/05/79/24/606057924.db2.gz OBNDGUSTVCWAAX-UHFFFAOYSA-N -1 0 327.365 3.567 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@@H]2CCCOc3cc(F)ccc32)cc1 ZINC000834258347 606094225 /nfs/dbraw/zinc/09/42/25/606094225.db2.gz WETPZPOAUZOFIE-OAHLLOKOSA-N -1 0 344.342 3.559 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2cc3ccc(F)cc3s2)C1 ZINC000321362089 970765201 /nfs/dbraw/zinc/76/52/01/970765201.db2.gz NSALQUVXVTUFPN-LLVKDONJSA-N -1 0 335.400 3.757 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2ccccc2[nH]1)c1ccc(Cl)c(F)c1 ZINC000181897478 939033961 /nfs/dbraw/zinc/03/39/61/939033961.db2.gz YVLWKDOBPQPHHL-OAHLLOKOSA-N -1 0 346.745 3.516 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc(Cl)o1)c1ccc2ccccc2c1 ZINC000191492119 939038578 /nfs/dbraw/zinc/03/85/78/939038578.db2.gz MLCYCRUHOBFALF-OAHLLOKOSA-N -1 0 329.739 3.642 20 0 EHADRM C[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1)c1ccccc1 ZINC000192919609 939039056 /nfs/dbraw/zinc/03/90/56/939039056.db2.gz LLEFGDHVFXDHLD-IFXJQAMLSA-N -1 0 333.387 3.885 20 0 EHADRM CC(C)c1ccc(OCCC(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000236678174 939044426 /nfs/dbraw/zinc/04/44/26/939044426.db2.gz SUHOVABESZRHIA-IBGZPJMESA-N -1 0 341.407 3.521 20 0 EHADRM Cc1ccc2nc(C)c(C(=O)NC3(C(=O)[O-])CCC(C)CC3)cc2c1 ZINC000236815142 939044925 /nfs/dbraw/zinc/04/49/25/939044925.db2.gz WTUYLNYEWGGWSC-UHFFFAOYSA-N -1 0 340.423 3.615 20 0 EHADRM Cc1ccc(C(C)(C)CC(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000237636069 939047795 /nfs/dbraw/zinc/04/77/95/939047795.db2.gz PCKKDNPAGBLZRZ-GOSISDBHSA-N -1 0 325.408 3.605 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)NC3(C(=O)[O-])CCC3)c(F)c2)cc1 ZINC000237714041 939048561 /nfs/dbraw/zinc/04/85/61/939048561.db2.gz FKBBTDIQMCJRQA-UHFFFAOYSA-N -1 0 327.355 3.538 20 0 EHADRM O=C([O-])C1(NC(=O)CC(c2ccccc2)c2ccccc2)CCCC1 ZINC000237922414 939051247 /nfs/dbraw/zinc/05/12/47/939051247.db2.gz SJAWFPJYNKUHMU-UHFFFAOYSA-N -1 0 337.419 3.722 20 0 EHADRM O=C([O-])C1(NC(=O)c2cc(-c3cccc(Cl)c3)no2)CCCCC1 ZINC000237966800 939052563 /nfs/dbraw/zinc/05/25/63/939052563.db2.gz DTOKLSZUZGAGIY-UHFFFAOYSA-N -1 0 348.786 3.512 20 0 EHADRM O=C([O-])C1(NC(=O)CCc2ccc(Cl)s2)CCCCCC1 ZINC000238079777 939056873 /nfs/dbraw/zinc/05/68/73/939056873.db2.gz SCWSYURCSOLTKM-UHFFFAOYSA-N -1 0 329.849 3.628 20 0 EHADRM O=C(/C=C/c1ccccc1)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000762206154 939071320 /nfs/dbraw/zinc/07/13/20/939071320.db2.gz LDBZQOOBQCXEBR-YPNIWSFNSA-N -1 0 331.371 3.795 20 0 EHADRM Cc1ccc(C)c(SCC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000324293463 939125286 /nfs/dbraw/zinc/12/52/86/939125286.db2.gz AZCGDVPIFAXUFY-IBGZPJMESA-N -1 0 343.448 3.512 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CCC(=O)NC2(C(=O)[O-])CCCCCC2)o1 ZINC000323979084 939125537 /nfs/dbraw/zinc/12/55/37/939125537.db2.gz YCBFBIKCZBDTKE-ZFWWWQNUSA-N -1 0 333.428 3.629 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CCC(=O)NC2(C(=O)[O-])CCCCCC2)o1 ZINC000323979083 939125743 /nfs/dbraw/zinc/12/57/43/939125743.db2.gz YCBFBIKCZBDTKE-UKRRQHHQSA-N -1 0 333.428 3.629 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc2c(c1)CCC2)c1ccc(Cl)c(F)c1 ZINC000345787115 939128323 /nfs/dbraw/zinc/12/83/23/939128323.db2.gz FLPPXZWVUWGNMV-MRXNPFEDSA-N -1 0 347.773 3.524 20 0 EHADRM C[C@@H](NC(=O)N[C@@](C)(C(=O)[O-])C1CC1)c1csc2ccccc21 ZINC000780564931 939132491 /nfs/dbraw/zinc/13/24/91/939132491.db2.gz GLRIPEUUEQVUKP-BMLIUANNSA-N -1 0 332.425 3.515 20 0 EHADRM O=C([O-])C1(NC(=O)C2CCC(C(F)(F)F)CC2)CCCCCC1 ZINC000391417739 939135766 /nfs/dbraw/zinc/13/57/66/939135766.db2.gz VJJPSVNKVIXHOT-UHFFFAOYSA-N -1 0 335.366 3.649 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1ccccc1F)c1cccc2ccccc21 ZINC000788314746 939148329 /nfs/dbraw/zinc/14/83/29/939148329.db2.gz IYBYONFDVOUCPH-KRWDZBQOSA-N -1 0 338.338 3.926 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)cc1C ZINC000788320772 939150398 /nfs/dbraw/zinc/15/03/98/939150398.db2.gz FUOGGJBVKBLMTK-OAHLLOKOSA-N -1 0 334.322 3.529 20 0 EHADRM CC[C@](NC(=O)Nc1nc(C2CC2)cs1)(C(=O)[O-])c1ccccc1 ZINC000788322349 939150729 /nfs/dbraw/zinc/15/07/29/939150729.db2.gz OAPZNQOSQQGTBF-QGZVFWFLSA-N -1 0 345.424 3.532 20 0 EHADRM O=C([O-])[C@@H](NC(=O)NC1CCCCC1)c1cccc2ccccc21 ZINC000797703484 939159646 /nfs/dbraw/zinc/15/96/46/939159646.db2.gz YJOJVKOLQORFPQ-KRWDZBQOSA-N -1 0 326.396 3.597 20 0 EHADRM O=C([O-])C1(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)CCCCCC1 ZINC000432004706 939171582 /nfs/dbraw/zinc/17/15/82/939171582.db2.gz CIAOCLCKYWQNMA-GJZGRUSLSA-N -1 0 335.831 3.737 20 0 EHADRM CC[C@H](C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000447897786 939204735 /nfs/dbraw/zinc/20/47/35/939204735.db2.gz PCTXFHALWKATOE-BBRMVZONSA-N -1 0 349.789 3.915 20 0 EHADRM O=C([O-])[C@H](NC(=O)CCCc1ccc(Cl)cc1)c1cccs1 ZINC000448996020 939206107 /nfs/dbraw/zinc/20/61/07/939206107.db2.gz RDGJOPPSPCULCT-OAHLLOKOSA-N -1 0 337.828 3.666 20 0 EHADRM CC1=C(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CCC1 ZINC000449002279 939207227 /nfs/dbraw/zinc/20/72/27/939207227.db2.gz MIEHFFWRPCJGKX-ZDUSSCGKSA-N -1 0 328.195 3.736 20 0 EHADRM Cc1ccc([C@H](NC(=O)Nc2ccc(F)cc2F)C(=O)[O-])cc1C ZINC000516840375 939245547 /nfs/dbraw/zinc/24/55/47/939245547.db2.gz HTWCFCKWBRYIRX-HNNXBMFYSA-N -1 0 334.322 3.529 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@H]1CCCC12CC2)c1cccc(C(F)(F)F)c1 ZINC000872745278 939263553 /nfs/dbraw/zinc/26/35/53/939263553.db2.gz JNVIGFJFYAGFOG-OLZOCXBDSA-N -1 0 341.329 3.528 20 0 EHADRM O=C([O-])[C@@H](NC(=O)C1CC2(CCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000872746173 939265836 /nfs/dbraw/zinc/26/58/36/939265836.db2.gz RMLDRAFGONOFRQ-ZDUSSCGKSA-N -1 0 341.329 3.528 20 0 EHADRM Cc1ccc(CC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1C ZINC000538467765 939273043 /nfs/dbraw/zinc/27/30/43/939273043.db2.gz MPUKKARQRCKWQJ-KRWDZBQOSA-N -1 0 349.789 3.581 20 0 EHADRM CC(C)(C)CCCC(=O)N[C@@H](C(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000538505971 939278440 /nfs/dbraw/zinc/27/84/40/939278440.db2.gz WWUGKDCLNVOHTK-CQSZACIVSA-N -1 0 343.370 3.746 20 0 EHADRM C[C@@](NC(=O)Nc1nc(C2CCC2)cs1)(C(=O)[O-])c1ccccc1 ZINC000908678966 939305677 /nfs/dbraw/zinc/30/56/77/939305677.db2.gz JDJRIEGUYKSOIU-KRWDZBQOSA-N -1 0 345.424 3.532 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2ccc(OCC3CC3)cc2)CCCCCC1 ZINC000555851264 939306067 /nfs/dbraw/zinc/30/60/67/939306067.db2.gz REEKTONSUNPIIT-UHFFFAOYSA-N -1 0 346.427 3.775 20 0 EHADRM CCO[C@@H]1C[C@](NC(=O)Nc2ccc(C(C)C)cc2)(C(=O)[O-])C1(C)C ZINC000563931790 939343030 /nfs/dbraw/zinc/34/30/30/939343030.db2.gz XGEGIUSDLUNPCF-BEFAXECRSA-N -1 0 348.443 3.590 20 0 EHADRM CC1(C)C[C@@H](NC(=O)N[C@H](C(=O)[O-])c2ccccc2)c2ccccc21 ZINC000564484053 939344728 /nfs/dbraw/zinc/34/47/28/939344728.db2.gz LRIHYDJFPYHSDV-SJORKVTESA-N -1 0 338.407 3.534 20 0 EHADRM CCSc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccsc2)c1 ZINC000571742158 939394149 /nfs/dbraw/zinc/39/41/49/939394149.db2.gz SSTLZQHDZMWNGA-ZDUSSCGKSA-N -1 0 336.438 3.808 20 0 EHADRM Cc1cccc(NC(=O)N[C@H](C(=O)[O-])c2cccc(C)c2C)c1C ZINC000572939565 939404114 /nfs/dbraw/zinc/40/41/14/939404114.db2.gz RMECWKSEMWHLAC-KRWDZBQOSA-N -1 0 326.396 3.868 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N[C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC000573699778 939720460 /nfs/dbraw/zinc/72/04/60/939720460.db2.gz OULKUTMPUINYAT-GVDBMIGSSA-N -1 0 343.448 3.917 20 0 EHADRM CC[C@@](NC(=O)c1c(C)coc1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000909608031 939723030 /nfs/dbraw/zinc/72/30/30/939723030.db2.gz NDZGEIGAIBWVAO-KRWDZBQOSA-N -1 0 335.787 3.670 20 0 EHADRM Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](C(=O)[O-])c2ccsc2)c1 ZINC000574053868 939723377 /nfs/dbraw/zinc/72/33/77/939723377.db2.gz GWQRVTGWCHMUQA-QGZVFWFLSA-N -1 0 347.436 3.501 20 0 EHADRM O=C([O-])[C@H](NC(=O)CC1CC(c2ccccc2)C1)c1cccs1 ZINC000574756615 939729133 /nfs/dbraw/zinc/72/91/33/939729133.db2.gz BFSSZUWONFMJKP-MKTAYPAQSA-N -1 0 329.421 3.574 20 0 EHADRM CSCCCCC(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC000910935089 939758818 /nfs/dbraw/zinc/75/88/18/939758818.db2.gz FQSUERXKKJTMLB-QGZVFWFLSA-N -1 0 331.437 3.615 20 0 EHADRM Cc1cccc([C@@H](NC(=O)Nc2ccc3c(c2)CCC3)C(=O)[O-])c1C ZINC000579579153 939763909 /nfs/dbraw/zinc/76/39/09/939763909.db2.gz VPUZBQMIUYETIF-GOSISDBHSA-N -1 0 338.407 3.740 20 0 EHADRM CC[C@@](NC(=O)Nc1cc(C)cc(F)c1)(C(=O)[O-])c1ccccc1 ZINC000581109934 939776128 /nfs/dbraw/zinc/77/61/28/939776128.db2.gz VWGKVNWDOXJXEZ-SFHVURJKSA-N -1 0 330.359 3.646 20 0 EHADRM CC(C)(C)OC1CC(CC(=O)N[C@@H](C(=O)[O-])C2CCCCCC2)C1 ZINC000911782657 939782625 /nfs/dbraw/zinc/78/26/25/939782625.db2.gz XCHOFIPQGQWLEF-PUJMQQBBSA-N -1 0 339.476 3.510 20 0 EHADRM CC[C@](NC(=O)Nc1cccc(SC)c1)(C(=O)[O-])c1ccccc1 ZINC000583478186 939790994 /nfs/dbraw/zinc/79/09/94/939790994.db2.gz LKECELRWEDFLIX-GOSISDBHSA-N -1 0 344.436 3.920 20 0 EHADRM C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)NC3(C(=O)[O-])CC3)c2)C1 ZINC000584072340 939795393 /nfs/dbraw/zinc/79/53/93/939795393.db2.gz PUIVWESEAOIXIP-XJKSGUPXSA-N -1 0 346.427 3.521 20 0 EHADRM C[C@@H](NC(=O)[C@@H](C(=O)[O-])C1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000663077229 939852862 /nfs/dbraw/zinc/85/28/62/939852862.db2.gz IWQQSYRZRLENNT-YGRLFVJLSA-N -1 0 343.345 3.774 20 0 EHADRM Cc1cc(Br)ccc1NC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC000663093631 939854358 /nfs/dbraw/zinc/85/43/58/939854358.db2.gz ZWBPCHKMNOZBMH-ZDUSSCGKSA-N -1 0 340.217 3.587 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000675982581 939866081 /nfs/dbraw/zinc/86/60/81/939866081.db2.gz UYYOWPXMFYFQMO-VLIAUNLRSA-N -1 0 343.398 3.511 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000675982578 939866139 /nfs/dbraw/zinc/86/61/39/939866139.db2.gz UYYOWPXMFYFQMO-JLTOFOAXSA-N -1 0 343.398 3.511 20 0 EHADRM C[C@@](NC(=O)CCCCCc1cccs1)(C(=O)[O-])c1ccccc1 ZINC000675983299 939866276 /nfs/dbraw/zinc/86/62/76/939866276.db2.gz ZNZSXOFPYOUJKV-IBGZPJMESA-N -1 0 345.464 3.967 20 0 EHADRM C[C@@H](C(=O)N[C@@]1(C(=O)[O-])CCc2ccccc21)c1ccc(Cl)s1 ZINC000683310229 939870726 /nfs/dbraw/zinc/87/07/26/939870726.db2.gz RKSUGJKAMYMCLI-QGHHPUGFSA-N -1 0 349.839 3.548 20 0 EHADRM C[C@H](NC(=O)N[C@@H](C(=O)[O-])c1cccs1)c1cc2ccccc2o1 ZINC000684712533 939871385 /nfs/dbraw/zinc/87/13/85/939871385.db2.gz BHSLPTPVNYASKI-ZUZCIYMTSA-N -1 0 344.392 3.680 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc3ccc(F)cc3s2)cc1O ZINC000321553191 970781983 /nfs/dbraw/zinc/78/19/83/970781983.db2.gz MVRBEUMLUSOIQH-UHFFFAOYSA-N -1 0 331.324 3.697 20 0 EHADRM CCCCCC[C@H](C)NC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000321679941 970797101 /nfs/dbraw/zinc/79/71/01/970797101.db2.gz JOAYCFXEAQDMMZ-GJZGRUSLSA-N -1 0 326.481 3.878 20 0 EHADRM Cc1ccc(Cl)cc1OCC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001600425896 970807891 /nfs/dbraw/zinc/80/78/91/970807891.db2.gz CPKMCSLZCOKDPO-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2cc(F)c(Cl)cc2F)c1 ZINC000321885453 970821705 /nfs/dbraw/zinc/82/17/05/970821705.db2.gz KKBROTSHPDOOGP-UHFFFAOYSA-N -1 0 339.725 3.888 20 0 EHADRM COc1ccc(NC(=O)c2ccc(CSC)cc2)c(C(=O)[O-])c1 ZINC000322030219 970838883 /nfs/dbraw/zinc/83/88/83/970838883.db2.gz FBMFIQCZFKEEKT-UHFFFAOYSA-N -1 0 331.393 3.509 20 0 EHADRM O=C([O-])c1coc(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000322344615 970875515 /nfs/dbraw/zinc/87/55/15/970875515.db2.gz DPBKXOMVPBKGSH-UHFFFAOYSA-N -1 0 330.218 3.517 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)ccc1F ZINC000322461048 970889749 /nfs/dbraw/zinc/88/97/49/970889749.db2.gz HOKSFEOJAZMROJ-RKDXNWHRSA-N -1 0 333.281 3.831 20 0 EHADRM CCc1ccc(NC(=O)N2CCc3sccc3C2)c(C(=O)[O-])c1 ZINC000323611438 971021710 /nfs/dbraw/zinc/02/17/10/971021710.db2.gz KYPOOUYPLFEHHG-UHFFFAOYSA-N -1 0 330.409 3.599 20 0 EHADRM Cc1cccc(NC(=O)NCc2ccccc2CC(=O)[O-])c1Cl ZINC000323700424 971030233 /nfs/dbraw/zinc/03/02/33/971030233.db2.gz TUFJJICURGWOQH-UHFFFAOYSA-N -1 0 332.787 3.597 20 0 EHADRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000323746081 971034857 /nfs/dbraw/zinc/03/48/57/971034857.db2.gz SANCLDISKLWJLD-WDEREUQCSA-N -1 0 338.791 3.963 20 0 EHADRM CCOc1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)[O-])cc1OC ZINC000323987845 971070006 /nfs/dbraw/zinc/07/00/06/971070006.db2.gz CFOLYXSVOIKZDZ-UHFFFAOYSA-N -1 0 349.408 3.723 20 0 EHADRM CC(C)c1cccc(OCC(=O)N(C)c2ccccc2C(=O)[O-])c1 ZINC000324037018 971076565 /nfs/dbraw/zinc/07/65/65/971076565.db2.gz QFVBWPKJWRODIQ-UHFFFAOYSA-N -1 0 327.380 3.550 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc(F)c(C(=O)[O-])c2)o1 ZINC000324156351 971090130 /nfs/dbraw/zinc/09/01/30/971090130.db2.gz CFNYZSJIKVKYGD-ZWNOBZJWSA-N -1 0 331.343 3.812 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2cc(C(=O)[O-])ccc2F)o1 ZINC000324581213 971134974 /nfs/dbraw/zinc/13/49/74/971134974.db2.gz AULNOSAWPMRGMB-GWCFXTLKSA-N -1 0 331.343 3.812 20 0 EHADRM CC(C)c1ccc(NC(=O)NCCc2ccc(C(=O)[O-])cc2)cc1 ZINC000324587415 971136103 /nfs/dbraw/zinc/13/61/03/971136103.db2.gz ZGJHTMKMNUIEHA-UHFFFAOYSA-N -1 0 326.396 3.872 20 0 EHADRM Cc1ccc(OCCC(=O)Nc2cccc(C(=O)[O-])c2C)cc1C ZINC000324803682 971158110 /nfs/dbraw/zinc/15/81/10/971158110.db2.gz QEMUGFICVFUGEK-UHFFFAOYSA-N -1 0 327.380 3.718 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(C3CC3)cnc2Cl)c(F)c1 ZINC001602380139 971191400 /nfs/dbraw/zinc/19/14/00/971191400.db2.gz AGJMOZTWLWBQDB-UHFFFAOYSA-N -1 0 334.734 3.702 20 0 EHADRM FC(F)(F)CCc1cccc(NCc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000822718742 946163866 /nfs/dbraw/zinc/16/38/66/946163866.db2.gz QUNVHTKGBWBNOH-UHFFFAOYSA-N -1 0 347.344 3.974 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)c2ccc(OC(F)F)cc2)cc1F ZINC000325531520 971223728 /nfs/dbraw/zinc/22/37/28/971223728.db2.gz FNMIASNPBKZGML-UHFFFAOYSA-N -1 0 343.232 3.517 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)c2cccc(OC(F)F)c2)cc1F ZINC000325645479 971232539 /nfs/dbraw/zinc/23/25/39/971232539.db2.gz XMFWWXZNQINIHU-UHFFFAOYSA-N -1 0 343.232 3.517 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C1CCC(C(F)(F)F)CC1 ZINC000325758704 971241769 /nfs/dbraw/zinc/24/17/69/971241769.db2.gz GHMRMAYROMEWPH-UHFFFAOYSA-N -1 0 343.345 3.712 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)Cc2ccccc2C(=O)[O-])c1 ZINC000325807403 971245283 /nfs/dbraw/zinc/24/52/83/971245283.db2.gz PAYJUWURZZKRDL-ZDUSSCGKSA-N -1 0 327.380 3.743 20 0 EHADRM CCCCc1ccc(C(=O)Nc2cc(OC)ccc2C(=O)[O-])cc1 ZINC000325857031 971249436 /nfs/dbraw/zinc/24/94/36/971249436.db2.gz HCSPLUXYZHKGBO-UHFFFAOYSA-N -1 0 327.380 3.988 20 0 EHADRM O=C([O-])c1cccc(F)c1NC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000325893530 971252796 /nfs/dbraw/zinc/25/27/96/971252796.db2.gz UDBLOGCHOHWPFY-UHFFFAOYSA-N -1 0 341.260 3.724 20 0 EHADRM CCOC(=O)Nc1ccc(NC(=O)CC2(CC(=O)[O-])CCCC2)cc1 ZINC000392211395 1032059244 /nfs/dbraw/zinc/05/92/44/1032059244.db2.gz RGRXEYCQIFGTFI-UHFFFAOYSA-N -1 0 348.399 3.619 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)nc1 ZINC000326363746 971286161 /nfs/dbraw/zinc/28/61/61/971286161.db2.gz CXYVGHJSTOHZPB-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM CCc1ccc(CCC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])cc1 ZINC000326389693 971288872 /nfs/dbraw/zinc/28/88/72/971288872.db2.gz KGDQRFLPBQJQDY-GOSISDBHSA-N -1 0 331.456 3.721 20 0 EHADRM COc1cc(NC(=O)N[C@@H](C)Cc2ccc(C)s2)ccc1C(=O)[O-] ZINC000326804601 971329062 /nfs/dbraw/zinc/32/90/62/971329062.db2.gz DJMJRRRBPLPYPQ-JTQLQIEISA-N -1 0 348.424 3.516 20 0 EHADRM Cc1cccc(C)c1OCCC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000326831588 971332582 /nfs/dbraw/zinc/33/25/82/971332582.db2.gz IKQNKQHYDICERY-UHFFFAOYSA-N -1 0 349.333 3.687 20 0 EHADRM COc1cc(NC(=O)N2CCC[C@@H]2C2CCCC2)ccc1C(=O)[O-] ZINC000326829073 971332872 /nfs/dbraw/zinc/33/28/72/971332872.db2.gz LFEQADUQTCFTAJ-OAHLLOKOSA-N -1 0 332.400 3.580 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)N2CCC3(C2)CCCCC3)c1F ZINC000326842623 971334968 /nfs/dbraw/zinc/33/49/68/971334968.db2.gz LXACMXWGQAJIFE-UHFFFAOYSA-N -1 0 338.354 3.851 20 0 EHADRM COc1ccc([C@H]2CCCN2C(=O)CC2(CC(=O)[O-])CCCC2)cc1 ZINC000326855183 971335606 /nfs/dbraw/zinc/33/56/06/971335606.db2.gz QZZTWBJZLVPGJJ-QGZVFWFLSA-N -1 0 345.439 3.784 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000326947015 971349227 /nfs/dbraw/zinc/34/92/27/971349227.db2.gz IMDQQOHKABJPEK-GOSISDBHSA-N -1 0 338.407 3.903 20 0 EHADRM Cc1ccoc1CN(C)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000326970840 971351516 /nfs/dbraw/zinc/35/15/16/971351516.db2.gz GTXGSPQDOZLHEA-UHFFFAOYSA-N -1 0 330.384 3.614 20 0 EHADRM CCc1ccc(NC(=O)CCOc2cccc(C)c2C)c(C(=O)[O-])c1 ZINC000327688527 971418554 /nfs/dbraw/zinc/41/85/54/971418554.db2.gz IBPSHDXAXNQBRM-UHFFFAOYSA-N -1 0 341.407 3.972 20 0 EHADRM Cc1c2ccccc2oc1C(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000328180319 971451986 /nfs/dbraw/zinc/45/19/86/971451986.db2.gz WHDNBZNYTZWZRG-UHFFFAOYSA-N -1 0 335.359 3.638 20 0 EHADRM CCCCc1ccc(CC(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000013317159 948779904 /nfs/dbraw/zinc/77/99/04/948779904.db2.gz KNXCCLXOANBJQK-UHFFFAOYSA-N -1 0 325.408 3.586 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)COc1ccc(F)cc1Cl ZINC000013432964 948781269 /nfs/dbraw/zinc/78/12/69/948781269.db2.gz VNIQBLOYPIWZAG-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM CC[C@H](NC(=O)c1coc(/C=C\C(=O)[O-])c1)c1cc(F)ccc1F ZINC001589568653 948891508 /nfs/dbraw/zinc/89/15/08/948891508.db2.gz NVOSLLJMLIGSEF-VOKGJARPSA-N -1 0 335.306 3.537 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NCc1cncc(Br)c1 ZINC000340691497 971517855 /nfs/dbraw/zinc/51/78/55/971517855.db2.gz OKQBMAZYIPZBHO-UHFFFAOYSA-N -1 0 335.201 3.771 20 0 EHADRM CCC(CC)(NC(=O)Cc1csc2ccc(Cl)cc12)C(=O)[O-] ZINC000342550991 971518503 /nfs/dbraw/zinc/51/85/03/971518503.db2.gz WJNPOWGHUNTWNI-UHFFFAOYSA-N -1 0 339.844 3.857 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000342542255 971518771 /nfs/dbraw/zinc/51/87/71/971518771.db2.gz GOKVMDMMWDQAML-UHFFFAOYSA-N -1 0 337.379 3.813 20 0 EHADRM CCn1c(C)cc(C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)c1C ZINC000346013332 971520856 /nfs/dbraw/zinc/52/08/56/971520856.db2.gz IQKCEUKCWFIYKW-UHFFFAOYSA-N -1 0 348.830 3.505 20 0 EHADRM CCC[C@@H](NC(=O)CCCOc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000347386308 971525012 /nfs/dbraw/zinc/52/50/12/971525012.db2.gz PUZRZZRLRQWJRC-LLVKDONJSA-N -1 0 348.226 3.522 20 0 EHADRM CCCC[C@H](CC)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000347437455 971526214 /nfs/dbraw/zinc/52/62/14/971526214.db2.gz YBWBMUUICFANEZ-KBXCAEBGSA-N -1 0 344.455 3.886 20 0 EHADRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(Cl)s1 ZINC000347994817 971528048 /nfs/dbraw/zinc/52/80/48/971528048.db2.gz JLRFUDXHYWOFBU-UHFFFAOYSA-N -1 0 344.219 3.782 20 0 EHADRM CC(C)C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3)C(=O)[O-] ZINC000355439891 971530109 /nfs/dbraw/zinc/53/01/09/971530109.db2.gz DQUHRWAYGXXVAN-SGTLLEGYSA-N -1 0 342.439 3.522 20 0 EHADRM COc1ccc(OC(C)C)c(NC(=O)CC2(CC(=O)[O-])CCCC2)c1 ZINC000359209122 971532158 /nfs/dbraw/zinc/53/21/58/971532158.db2.gz PYBPHJFYKLIMRL-UHFFFAOYSA-N -1 0 349.427 3.846 20 0 EHADRM CC(C)[C@@H]1CCC[C@@H](Nc2nc(-c3nnn[n-]3)c(Cl)s2)C1 ZINC001574093602 949112401 /nfs/dbraw/zinc/11/24/01/949112401.db2.gz WLFDYHSRDKSQFN-RKDXNWHRSA-N -1 0 326.857 3.603 20 0 EHADRM O=C([O-])c1ccccc1OCCSc1nnc(-c2ccccc2)o1 ZINC000113682578 949229069 /nfs/dbraw/zinc/22/90/69/949229069.db2.gz PHMLBOHSBKIGPG-UHFFFAOYSA-N -1 0 342.376 3.606 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N2CCC[C@H]2c2ccc(F)cc2F)o1 ZINC001595226085 949294257 /nfs/dbraw/zinc/29/42/57/949294257.db2.gz UKMIZLOMEDFHMO-KKTNHOPESA-N -1 0 347.317 3.633 20 0 EHADRM CCC1(CC)CCN(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1 ZINC001589612123 949329869 /nfs/dbraw/zinc/32/98/69/949329869.db2.gz FZOMQDGJCBQCKS-QLFBSQMISA-N -1 0 338.492 3.734 20 0 EHADRM O=C([O-])c1ccc(COc2nc(-c3ccccc3Cl)no2)cc1 ZINC001595233406 949368641 /nfs/dbraw/zinc/36/86/41/949368641.db2.gz OVIKZEGPXKFQBN-UHFFFAOYSA-N -1 0 330.727 3.667 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2(c3cc(F)cc(F)c3)CCCC2)nc1 ZINC001595236072 949402567 /nfs/dbraw/zinc/40/25/67/949402567.db2.gz NQGRKOKUMFOLJJ-UHFFFAOYSA-N -1 0 346.333 3.509 20 0 EHADRM CCC[C@@]1(C)CCCN(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)C1 ZINC001589635090 949606304 /nfs/dbraw/zinc/60/63/04/949606304.db2.gz BPMNQWGNIOFOFL-VQTJNVASSA-N -1 0 346.471 3.641 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)c1ccc(Cl)c2occc21 ZINC001595256159 949616966 /nfs/dbraw/zinc/61/69/66/949616966.db2.gz PETQWGABRYPHGT-UHFFFAOYSA-N -1 0 329.739 3.714 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC001595263772 949720840 /nfs/dbraw/zinc/72/08/40/949720840.db2.gz KUUJWEKNUKOXMC-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM CCCCOCCCNC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001589652819 949789569 /nfs/dbraw/zinc/78/95/69/949789569.db2.gz MHKXTARTIOVRBG-UHFFFAOYSA-N -1 0 346.786 3.506 20 0 EHADRM O=C([O-])c1cncc(NC(=O)N2CC3(CC=CC3)[C@@H]2c2ccccc2)c1 ZINC001595270957 949825245 /nfs/dbraw/zinc/82/52/45/949825245.db2.gz KMHZTFJZNRFGGK-KRWDZBQOSA-N -1 0 349.390 3.705 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000236610310 949925812 /nfs/dbraw/zinc/92/58/12/949925812.db2.gz OREYSFHCBLADTK-KSZLIROESA-N -1 0 325.408 3.559 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CCCC2)C1 ZINC000238006115 949990109 /nfs/dbraw/zinc/99/01/09/949990109.db2.gz MRJFTAPEXNXCMV-OAHLLOKOSA-N -1 0 347.430 3.741 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000262073434 950059860 /nfs/dbraw/zinc/05/98/60/950059860.db2.gz KEHRTDQECOPFSI-UMVBOHGHSA-N -1 0 349.839 3.718 20 0 EHADRM CN(C(=O)c1cccc(OCC(=O)[O-])c1)c1ccc(C(C)(C)C)cc1 ZINC000262177784 950079758 /nfs/dbraw/zinc/07/97/58/950079758.db2.gz REYKRQCFTFZAEY-UHFFFAOYSA-N -1 0 341.407 3.724 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)C2(c3ccccc3F)CC2)c1 ZINC000262346329 950111638 /nfs/dbraw/zinc/11/16/38/950111638.db2.gz DKFQSGCNEPRFFU-UHFFFAOYSA-N -1 0 327.355 3.513 20 0 EHADRM CCCc1ccc(CCCC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1 ZINC001589691495 950116371 /nfs/dbraw/zinc/11/63/71/950116371.db2.gz MKTAVCRAACTLSB-YJBOKZPZSA-N -1 0 331.456 3.531 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)c1 ZINC000262473437 950131097 /nfs/dbraw/zinc/13/10/97/950131097.db2.gz ZJOWSKUVPZHJGG-GDBMZVCRSA-N -1 0 345.345 3.724 20 0 EHADRM C[C@H]1CN(C(=O)CSc2ccc3ccccc3c2)CC[C@@H]1C(=O)[O-] ZINC000262906201 950185414 /nfs/dbraw/zinc/18/54/14/950185414.db2.gz IKKMIMMMFBNQTR-GUYCJALGSA-N -1 0 343.448 3.501 20 0 EHADRM C[C@H]1CN(C(=O)C2(c3cccc(F)c3)CCCCC2)CC[C@@H]1C(=O)[O-] ZINC000263062666 950240655 /nfs/dbraw/zinc/24/06/55/950240655.db2.gz STIZXVQCRKKJHQ-YOEHRIQHSA-N -1 0 347.430 3.597 20 0 EHADRM CCN(C(=O)c1cc(F)c(Oc2ccccc2)c(F)c1)[C@H](C)C(=O)[O-] ZINC001589706391 950293318 /nfs/dbraw/zinc/29/33/18/950293318.db2.gz STWIGNDFYNSQEK-LLVKDONJSA-N -1 0 349.333 3.692 20 0 EHADRM Cc1cc([C@H](NC(=O)NC2CCC(C(=O)[O-])CC2)C2CC2)ccc1F ZINC000263150539 950296518 /nfs/dbraw/zinc/29/65/18/950296518.db2.gz BBJDCFKYMZTERN-PUJMQQBBSA-N -1 0 348.418 3.528 20 0 EHADRM COc1ccc(CCCCCC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1 ZINC000263178142 950312255 /nfs/dbraw/zinc/31/22/55/950312255.db2.gz JZQOTYREVNALKW-WBVHZDCISA-N -1 0 347.455 3.510 20 0 EHADRM CCN(C(=O)c1cccc(-c2c(F)cccc2F)c1)[C@@H](C)C(=O)[O-] ZINC001589711109 950326724 /nfs/dbraw/zinc/32/67/24/950326724.db2.gz KRZGTZIWRPZJHT-NSHDSACASA-N -1 0 333.334 3.567 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CSc2ccc3ccccc3c2)C1 ZINC000263341037 950383473 /nfs/dbraw/zinc/38/34/73/950383473.db2.gz NMICNUAKIFSUOV-CJNGLKHVSA-N -1 0 343.448 3.501 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)CCCc1ccc2ccccc2c1 ZINC000263404539 950443787 /nfs/dbraw/zinc/44/37/87/950443787.db2.gz FVCHPLHUSBFSNX-FQEVSTJZSA-N -1 0 325.408 3.628 20 0 EHADRM CCN(c1ccc(C(=O)NCc2ccccc2C(=O)[O-])cc1)C(C)C ZINC001589739070 950552592 /nfs/dbraw/zinc/55/25/92/950552592.db2.gz BWZNJLNRVDCAJT-UHFFFAOYSA-N -1 0 340.423 3.550 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)/C=C/c2cc(Cl)cc(Cl)c2)C1 ZINC000315669670 950851802 /nfs/dbraw/zinc/85/18/02/950851802.db2.gz WDWPYBWVWQTFHH-AAOUONPWSA-N -1 0 342.222 3.720 20 0 EHADRM CC(C)[C@@H](NC(=O)Nc1ccc(C(F)(F)F)cc1Cl)C(=O)[O-] ZINC000316083500 950866214 /nfs/dbraw/zinc/86/62/14/950866214.db2.gz QPYBHINSQUZYDT-SNVBAGLBSA-N -1 0 338.713 3.590 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(SC(F)(F)F)cc2)ccn1 ZINC000320519425 950992688 /nfs/dbraw/zinc/99/26/88/950992688.db2.gz CPXGGMGTBQKTOX-UHFFFAOYSA-N -1 0 342.298 3.644 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)Nc2ccccc2-c2nccs2)C1 ZINC001594991002 951047857 /nfs/dbraw/zinc/04/78/57/951047857.db2.gz YSPMQEJABZQQLD-LBPRGKRZSA-N -1 0 345.424 3.529 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)/C=C/c1ccccc1F ZINC000323886824 951055805 /nfs/dbraw/zinc/05/58/05/951055805.db2.gz MEVLFGBWNAYVFG-CSKARUKUSA-N -1 0 325.339 3.517 20 0 EHADRM Cc1cc(C)nc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)c1 ZINC000324028264 951059755 /nfs/dbraw/zinc/05/97/55/951059755.db2.gz PNJGTOBSCKPYSC-UHFFFAOYSA-N -1 0 330.409 3.589 20 0 EHADRM CC(C)C[C@H](CNC(=O)N[C@@H]1CCCc2ccccc21)CC(=O)[O-] ZINC000324829492 951075215 /nfs/dbraw/zinc/07/52/15/951075215.db2.gz BTJOCVDXJHITPY-WMLDXEAASA-N -1 0 332.444 3.500 20 0 EHADRM Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000325416923 951084174 /nfs/dbraw/zinc/08/41/74/951084174.db2.gz VSZQZFNKZBXUPM-UHFFFAOYSA-N -1 0 347.798 3.683 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)Nc2cccc(Cl)c2F)Cc2ccccc21 ZINC000325809556 951091947 /nfs/dbraw/zinc/09/19/47/951091947.db2.gz YPYKTWOBZUAQPR-LBPRGKRZSA-N -1 0 348.761 3.695 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc(Cl)nc3ccccc32)C1 ZINC000326205230 951096956 /nfs/dbraw/zinc/09/69/56/951096956.db2.gz OQGMXRKVKKVCCL-SFHVURJKSA-N -1 0 346.814 3.605 20 0 EHADRM COc1ccc(S[C@@H](C)C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000340201286 951131171 /nfs/dbraw/zinc/13/11/71/951131171.db2.gz FKTIIQBCWLHDHQ-NSHDSACASA-N -1 0 331.393 3.513 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000347517099 951133957 /nfs/dbraw/zinc/13/39/57/951133957.db2.gz LREWHIJLSFBFMR-HUUCEWRRSA-N -1 0 335.469 3.518 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1cccc(Nc2ccccc2)c1)C(=O)[O-] ZINC000360814143 951135970 /nfs/dbraw/zinc/13/59/70/951135970.db2.gz AIIVWZIYOCPTPE-QGZVFWFLSA-N -1 0 326.396 3.659 20 0 EHADRM CC(C)(C)c1ccc(CCC(=O)N2CCC(C)(C(=O)[O-])CC2)cc1 ZINC000364202905 951139125 /nfs/dbraw/zinc/13/91/25/951139125.db2.gz JSUNEAPIIGTWLZ-UHFFFAOYSA-N -1 0 331.456 3.630 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)c2ccccc2F)CC1 ZINC000372640779 951146960 /nfs/dbraw/zinc/14/69/60/951146960.db2.gz RCBYCKSECVWRID-UHFFFAOYSA-N -1 0 327.355 3.544 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)[C@H]1CC2CCC1CC2 ZINC000381870563 951215034 /nfs/dbraw/zinc/21/50/34/951215034.db2.gz JLBLUOPJCJVQQA-ZHOLYQSMSA-N -1 0 330.428 3.650 20 0 EHADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)Oc2ccc(Cl)c3ccccc23)CO1 ZINC001595007868 951225548 /nfs/dbraw/zinc/22/55/48/951225548.db2.gz ZEPTXFCRLLBMCE-NWDGAFQWSA-N -1 0 348.782 3.669 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)N[C@@H]1CCCc2ccc(F)cc21 ZINC001595010954 951240456 /nfs/dbraw/zinc/24/04/56/951240456.db2.gz CQILILJONLUYRN-DOTOQJQBSA-N -1 0 348.418 3.632 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1ccc(F)c(C(F)F)c1 ZINC001595012161 951254509 /nfs/dbraw/zinc/25/45/09/951254509.db2.gz QUZOHLGNFDEZMV-NSHDSACASA-N -1 0 329.318 3.623 20 0 EHADRM CC(C)(C)N(Cc1ccccc1)C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001602868812 971739220 /nfs/dbraw/zinc/73/92/20/971739220.db2.gz UMQBBUSPKLLEIL-UHFFFAOYSA-N -1 0 341.407 3.591 20 0 EHADRM CC[C@H](C)N(Cc1ccccc1)C(=O)Nc1cccnc1C(=O)[O-] ZINC000387432186 951317873 /nfs/dbraw/zinc/31/78/73/951317873.db2.gz XFVLTLLXMMVKFS-ZDUSSCGKSA-N -1 0 327.384 3.612 20 0 EHADRM CCOc1cccc([C@@H](C)NC(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC001592862955 951373562 /nfs/dbraw/zinc/37/35/62/951373562.db2.gz KQDFIQHOPCNYCO-GFCCVEGCSA-N -1 0 328.368 3.666 20 0 EHADRM C[C@H]1CCc2sc(C(=O)NCc3cccc(C(=O)[O-])c3)cc2C1 ZINC000390343964 951376590 /nfs/dbraw/zinc/37/65/90/951376590.db2.gz WWDXQWKLONVKRJ-NSHDSACASA-N -1 0 329.421 3.501 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCC[C@]1(c1ccccc1)C(F)(F)F ZINC001595032044 951378008 /nfs/dbraw/zinc/37/80/08/951378008.db2.gz SSIVDQKLSWPADE-INIZCTEOSA-N -1 0 343.345 3.712 20 0 EHADRM CCOc1ccccc1[C@H](CC)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001593042862 951387578 /nfs/dbraw/zinc/38/75/78/951387578.db2.gz KNGGATASZZEVHO-INIZCTEOSA-N -1 0 327.380 3.665 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1ccc(Oc2ccnc(Cl)n2)cc1 ZINC001595034830 951394531 /nfs/dbraw/zinc/39/45/31/951394531.db2.gz CEXFKNBGVWODOM-UHFFFAOYSA-N -1 0 349.774 3.506 20 0 EHADRM O=C([O-])c1cccc(COc2ccc([N+](=O)[O-])cc2F)c1Cl ZINC000381494304 971761292 /nfs/dbraw/zinc/76/12/92/971761292.db2.gz IIQYRYBCIHADFO-UHFFFAOYSA-N -1 0 325.679 3.665 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC001595179241 952244842 /nfs/dbraw/zinc/24/48/42/952244842.db2.gz IOXPQPYWEGVNDD-LCGIIJARSA-N -1 0 335.831 3.593 20 0 EHADRM O=C([O-])c1c(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)nc2ccccn21 ZINC001595207057 952335621 /nfs/dbraw/zinc/33/56/21/952335621.db2.gz ROHMWGCCFWKPRX-MGPQQGTHSA-N -1 0 341.411 3.578 20 0 EHADRM O=C([O-])c1c(F)ccc(NCc2nnc(C3CC3)s2)c1Cl ZINC001595207478 952339928 /nfs/dbraw/zinc/33/99/28/952339928.db2.gz XYVIAOTUVJYTFB-UHFFFAOYSA-N -1 0 327.768 3.518 20 0 EHADRM O=C([O-])c1cc(NC(=O)C(c2ccccc2)c2ccccc2)ccn1 ZINC001595207918 952343343 /nfs/dbraw/zinc/34/33/43/952343343.db2.gz KXKIXIQZXLGJGA-UHFFFAOYSA-N -1 0 332.359 3.550 20 0 EHADRM CC(C)(C)c1ccc(CSCC(=O)N2CCCC[C@H]2C(=O)[O-])cc1 ZINC001602923104 971884472 /nfs/dbraw/zinc/88/44/72/971884472.db2.gz RLIHDQBRZSLNBI-INIZCTEOSA-N -1 0 349.496 3.683 20 0 EHADRM CC(C)(C)c1ccc(CCNC(=O)c2coc(/C=C\C(=O)[O-])c2)cc1 ZINC001602923187 971885061 /nfs/dbraw/zinc/88/50/61/971885061.db2.gz UGAWCCAPMQERQY-HJWRWDBZSA-N -1 0 341.407 3.647 20 0 EHADRM O=C(NCC1(C2CCCCC2)CCCCC1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001594746262 953389881 /nfs/dbraw/zinc/38/98/81/953389881.db2.gz TWDMFUAJEYELMU-FZNQNYSPSA-N -1 0 336.476 3.680 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Cc2cc(Cl)cc3ccccc32)C1 ZINC001589269485 953402754 /nfs/dbraw/zinc/40/27/54/953402754.db2.gz YJCCZWUXNXNHIU-SWLSCSKDSA-N -1 0 345.826 3.605 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Cc2cc(Cl)cc3ccccc32)C1 ZINC001589269483 953402907 /nfs/dbraw/zinc/40/29/07/953402907.db2.gz YJCCZWUXNXNHIU-DOMZBBRYSA-N -1 0 345.826 3.605 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)NCC2CCC(c3ccccc3)CC2)C1 ZINC001594750326 953416675 /nfs/dbraw/zinc/41/66/75/953416675.db2.gz UHVIRUGILCJNEO-SYNTWQANSA-N -1 0 344.455 3.513 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1nc2c(s1)CCCCCC2 ZINC000417787409 953418342 /nfs/dbraw/zinc/41/83/42/953418342.db2.gz FVMKLNRBHNNDGN-UHFFFAOYSA-N -1 0 339.461 3.569 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)NCCCC2CCCC2)c2ccccc21 ZINC001594757225 953473756 /nfs/dbraw/zinc/47/37/56/953473756.db2.gz NXYWWBCFSQQTMX-IAGOWNOFSA-N -1 0 330.428 3.569 20 0 EHADRM CC[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2)c1)C(=O)[O-] ZINC000431655772 953502986 /nfs/dbraw/zinc/50/29/86/953502986.db2.gz PQVMZNWEGOKABH-OAHLLOKOSA-N -1 0 333.771 3.725 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)NC[C@H]1SCCc2ccccc21 ZINC001594762377 953504842 /nfs/dbraw/zinc/50/48/42/953504842.db2.gz LSJKHVQQZUITAQ-MRXNPFEDSA-N -1 0 342.420 3.537 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)NCCc1ccc2ccccc2c1 ZINC001594763209 953518899 /nfs/dbraw/zinc/51/88/99/953518899.db2.gz SBVIFKXOHVFPSK-UHFFFAOYSA-N -1 0 348.402 3.580 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)NCCc1ccc(F)cc1Cl ZINC001594763348 953522133 /nfs/dbraw/zinc/52/21/33/953522133.db2.gz ZKXQSFUZHTZUPJ-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM CC[C@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)c1ccc(F)cc1 ZINC001593619576 953523375 /nfs/dbraw/zinc/52/33/75/953523375.db2.gz XQBJOGXTIMYSAT-INIZCTEOSA-N -1 0 330.359 3.726 20 0 EHADRM CC(C)(c1ccccc1)C1(NC(=O)c2coc(/C=C/C(=O)[O-])c2)CC1 ZINC001602958979 971939339 /nfs/dbraw/zinc/93/93/39/971939339.db2.gz MQZSETOGYNWHSX-CMDGGOBGSA-N -1 0 339.391 3.618 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CCCCC1 ZINC000532000104 953561406 /nfs/dbraw/zinc/56/14/06/953561406.db2.gz AXBBBZHTLATAGC-LSDHHAIUSA-N -1 0 335.831 3.737 20 0 EHADRM C[C@H](CC(=O)NCC1(C(=O)[O-])CCC1)c1cccc(C(F)(F)F)c1 ZINC000532008146 953561707 /nfs/dbraw/zinc/56/17/07/953561707.db2.gz XJPOVFHHHMMRME-LLVKDONJSA-N -1 0 343.345 3.570 20 0 EHADRM CC[C@H](C(=O)NCC1(C(=O)[O-])CCC1)c1cccc(C(F)(F)F)c1 ZINC000539571716 953574487 /nfs/dbraw/zinc/57/44/87/953574487.db2.gz ZXEGHESHSUFEIF-ZDUSSCGKSA-N -1 0 343.345 3.570 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccccc2NC2CCCCC2)C[C@H]1C(=O)[O-] ZINC000564730312 953605919 /nfs/dbraw/zinc/60/59/19/953605919.db2.gz YECZEKRJBQOZGQ-RHSMWYFYSA-N -1 0 344.455 3.614 20 0 EHADRM CCc1ccc(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1CC ZINC001593635499 953608354 /nfs/dbraw/zinc/60/83/54/953608354.db2.gz UCTOLADFXFJBIF-OAUYIBNBSA-N -1 0 331.456 3.677 20 0 EHADRM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)o1 ZINC001593637210 953614990 /nfs/dbraw/zinc/61/49/90/953614990.db2.gz NPXMRTHLVDRTQX-HGTKMLMNSA-N -1 0 348.443 3.578 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2)cc1 ZINC001593637234 953615358 /nfs/dbraw/zinc/61/53/58/953615358.db2.gz OOOWAYHQAIWHQU-KBXCAEBGSA-N -1 0 325.408 3.603 20 0 EHADRM CCCn1ccc2cc(NC(=O)N3CC[C@@H](C)[C@@H](C(=O)[O-])C3)ccc21 ZINC000570802785 953658670 /nfs/dbraw/zinc/65/86/70/953658670.db2.gz BDQPEHTYFGZPPZ-CJNGLKHVSA-N -1 0 343.427 3.626 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000578914510 953704299 /nfs/dbraw/zinc/70/42/99/953704299.db2.gz FAIDRUWVXJCJOY-NSHDSACASA-N -1 0 335.400 3.676 20 0 EHADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(Oc2ccccc2Cl)cc1 ZINC001594794713 953704327 /nfs/dbraw/zinc/70/43/27/953704327.db2.gz SKELITMTNVCQMH-BETUJISGSA-N -1 0 345.782 3.725 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1ccc(F)cc1C(F)(F)F ZINC001589303432 953711453 /nfs/dbraw/zinc/71/14/53/953711453.db2.gz HFPRDQYAKKMLMH-DTWKUNHWSA-N -1 0 348.296 3.562 20 0 EHADRM CC[C@H](NC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000582604299 953725124 /nfs/dbraw/zinc/72/51/24/953725124.db2.gz WWXDSOFKEVWTHI-DFBGVHRSSA-N -1 0 338.835 3.543 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N[C@@H]2CCCOc3c(F)cccc32)c1 ZINC001594809308 953802337 /nfs/dbraw/zinc/80/23/37/953802337.db2.gz UNNYXVUQSGFINX-OAHLLOKOSA-N -1 0 344.342 3.559 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2ccccc2N2CCCCCC2)CCCC1 ZINC001594810819 953816895 /nfs/dbraw/zinc/81/68/95/953816895.db2.gz YJYPLJUIEHRBAB-UHFFFAOYSA-N -1 0 345.443 3.586 20 0 EHADRM C[C@H]1CN(c2nc3cc(Cl)cc(Cl)c3o2)CC[C@@H]1C(=O)[O-] ZINC000629768980 953831982 /nfs/dbraw/zinc/83/19/82/953831982.db2.gz SFCONFTYTGOGGG-CBAPKCEASA-N -1 0 329.183 3.682 20 0 EHADRM CCOc1cccc(CCC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000630138520 953839872 /nfs/dbraw/zinc/83/98/72/953839872.db2.gz KXUSMCHNUSYRPL-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM CC[C@@](C)(NC(=O)Cc1ccccc1C(=O)[O-])c1ccc(F)cc1 ZINC000630304041 953851899 /nfs/dbraw/zinc/85/18/99/953851899.db2.gz DZXPAFXYOXYYQM-LJQANCHMSA-N -1 0 329.371 3.508 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccccc1 ZINC000642371134 953897907 /nfs/dbraw/zinc/89/79/07/953897907.db2.gz CTPOUBNSRWHHCJ-INIZCTEOSA-N -1 0 326.396 3.687 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC001594822446 953911996 /nfs/dbraw/zinc/91/19/96/953911996.db2.gz UGVQPUHJPIXFRL-UHFFFAOYSA-N -1 0 347.783 3.538 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)Nc2ccc3c4c(cccc42)CC3)CC1 ZINC000647691111 953962629 /nfs/dbraw/zinc/96/26/29/953962629.db2.gz QYEMUONUKPZLBU-UHFFFAOYSA-N -1 0 338.407 3.657 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1cc(Cl)ccc1OCC1CCC1)C1CC1 ZINC001594835310 954021715 /nfs/dbraw/zinc/02/17/15/954021715.db2.gz DOOLKRVLTGGFSW-HNNXBMFYSA-N -1 0 337.803 3.568 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1[nH]c2ccccc2c1Cl)CC(=O)[O-] ZINC000652086183 954042851 /nfs/dbraw/zinc/04/28/51/954042851.db2.gz NZMSTUMIDKUAPO-NSHDSACASA-N -1 0 336.819 3.688 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)C[C@H]1C ZINC001589344833 954047390 /nfs/dbraw/zinc/04/73/90/954047390.db2.gz YFVCLWXIVXPSDW-RKDXNWHRSA-N -1 0 328.771 3.687 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)Oc1ccc(-c2cccnc2)cc1Cl ZINC001602974376 971982735 /nfs/dbraw/zinc/98/27/35/971982735.db2.gz GUSDGRQENDTLLN-OAHLLOKOSA-N -1 0 333.771 3.664 20 0 EHADRM O=C([O-])[C@@H](NCc1cscc1Br)c1ccc(F)cc1 ZINC001594843367 954102909 /nfs/dbraw/zinc/10/29/09/954102909.db2.gz KKDLXKWRENAGPB-LBPRGKRZSA-N -1 0 344.205 3.565 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccc(CCC(F)(F)F)cc2)C1 ZINC000653296708 954104830 /nfs/dbraw/zinc/10/48/30/954104830.db2.gz YWCBCVRDGCWHEY-NWDGAFQWSA-N -1 0 329.318 3.621 20 0 EHADRM O=C([O-])[C@@H](NCc1cc2cc(Cl)cnc2o1)c1ccc(F)cc1 ZINC001594843532 954105752 /nfs/dbraw/zinc/10/57/52/954105752.db2.gz PUZWFWWYQSRQKM-AWEZNQCLSA-N -1 0 334.734 3.536 20 0 EHADRM CC(C)[C@@H](CNC(=O)C1(C(=O)[O-])CCCCCC1)Nc1ccccc1 ZINC001602977656 971989913 /nfs/dbraw/zinc/98/99/13/971989913.db2.gz IMMFETZLFQXCRG-QGZVFWFLSA-N -1 0 346.471 3.665 20 0 EHADRM C[C@H]1CCc2c(sc(NC(=O)C3(CCF)CC3)c2C(=O)[O-])C1 ZINC001589361158 954155649 /nfs/dbraw/zinc/15/56/49/954155649.db2.gz HFVWCGRZRCHTQL-VIFPVBQESA-N -1 0 325.405 3.649 20 0 EHADRM C[C@H]1CCc2c(sc(NC(=O)CCc3ccco3)c2C(=O)[O-])C1 ZINC001589363039 954165374 /nfs/dbraw/zinc/16/53/74/954165374.db2.gz DTQUHLZJEOLGDV-JTQLQIEISA-N -1 0 333.409 3.735 20 0 EHADRM CCc1ccc(CCC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000653333599 954165663 /nfs/dbraw/zinc/16/56/63/954165663.db2.gz QYXXXBGYHVQZJK-OALUTQOASA-N -1 0 337.419 3.611 20 0 EHADRM C[C@H]1CCc2c(sc3ncnc(NC4(CC(=O)[O-])CCC4)c32)C1 ZINC001589364218 954176481 /nfs/dbraw/zinc/17/64/81/954176481.db2.gz PRZLSYAUARRJJM-JTQLQIEISA-N -1 0 331.441 3.625 20 0 EHADRM C[C@@H]1CCc2c(sc(NC(=O)c3ncoc3C3CC3)c2C(=O)[O-])C1 ZINC001589364982 954182435 /nfs/dbraw/zinc/18/24/35/954182435.db2.gz ZUFJPRWCKQBEFB-MRVPVSSYSA-N -1 0 346.408 3.689 20 0 EHADRM O=C([O-])C1(C(=O)N2CCc3cc(-c4cccc(F)c4)ccc32)CCC1 ZINC001594850781 954184876 /nfs/dbraw/zinc/18/48/76/954184876.db2.gz ZMDQKTCADRIARQ-UHFFFAOYSA-N -1 0 339.366 3.637 20 0 EHADRM CC[C@@H](C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccc(F)cc1 ZINC000655575868 954212587 /nfs/dbraw/zinc/21/25/87/954212587.db2.gz LKIWLVXYYSXEMX-BQDHKBFISA-N -1 0 335.419 3.571 20 0 EHADRM C[C@@H](C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1cccc(Cl)c1 ZINC000655579254 954217339 /nfs/dbraw/zinc/21/73/39/954217339.db2.gz LUNKFFGVYPXHBO-HKCMKHECSA-N -1 0 337.847 3.695 20 0 EHADRM Cc1cc(C)cc(C2(C(=O)N[C@H](C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)CC2)c1 ZINC000655586136 954229157 /nfs/dbraw/zinc/22/91/57/954229157.db2.gz MHCHXPMFRLWVER-HYVNUMGLSA-N -1 0 343.467 3.587 20 0 EHADRM C[C@H](NC(=O)N[C@H](c1ccccc1)C1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655862120 954247490 /nfs/dbraw/zinc/24/74/90/954247490.db2.gz YFNDUWCPXGGASM-KKBVYLPWSA-N -1 0 344.455 3.572 20 0 EHADRM O=C([O-])C1(C(=O)N[C@H]2CCSc3ccc(F)cc32)CCCCC1 ZINC001594857399 954253039 /nfs/dbraw/zinc/25/30/39/954253039.db2.gz YJBWYWUSBWGKRO-ZDUSSCGKSA-N -1 0 337.416 3.514 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2C(=O)NC[C@H](C(=O)[O-])C(C)C)cc1 ZINC000655893476 954273712 /nfs/dbraw/zinc/27/37/12/954273712.db2.gz NYJMEUCGVTVMSY-IRXDYDNUSA-N -1 0 332.444 3.588 20 0 EHADRM CC(C)[C@@H](CNC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC000655893145 954274755 /nfs/dbraw/zinc/27/47/55/954274755.db2.gz JDIVDQUWILTGSA-QZTJIDSGSA-N -1 0 344.455 3.595 20 0 EHADRM CC[C@H](C)[C@H](C)N(C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1CC1 ZINC000655904537 954285957 /nfs/dbraw/zinc/28/59/57/954285957.db2.gz KNWWLLDTPISVID-YOPIWALVSA-N -1 0 338.492 3.730 20 0 EHADRM O=C([O-])C1(C(=O)NCc2cccc(Cl)c2Cl)CCCCC1 ZINC001594863337 954297916 /nfs/dbraw/zinc/29/79/16/954297916.db2.gz NIRSMDBCGYOQNQ-UHFFFAOYSA-N -1 0 330.211 3.645 20 0 EHADRM Cc1ccccc1C1(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)CCC1 ZINC000659143845 954311216 /nfs/dbraw/zinc/31/12/16/954311216.db2.gz OSDNOTMONPXMIY-SFHVURJKSA-N -1 0 349.430 3.627 20 0 EHADRM O=C([O-])C1(C(=O)Nc2nc3c(cccc3C(F)(F)F)s2)CCC1 ZINC001594872450 954366947 /nfs/dbraw/zinc/36/69/47/954366947.db2.gz UBDBHONYBWBSSE-UHFFFAOYSA-N -1 0 344.314 3.509 20 0 EHADRM O=C([O-])C1(c2noc([C@@H](c3cccnc3)C3CCCCC3)n2)CCC1 ZINC001594887096 954473887 /nfs/dbraw/zinc/47/38/87/954473887.db2.gz KTDAZXPODBEWDI-OAHLLOKOSA-N -1 0 341.411 3.683 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)C2(C(=O)[O-])CC=CC2)cc1F ZINC000663121838 954515633 /nfs/dbraw/zinc/51/56/33/954515633.db2.gz RRRHQJVGKIOMSX-UHFFFAOYSA-N -1 0 335.375 3.610 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)C2CCC(C3CC3)CC2)c2ccccc21 ZINC000663121261 954515748 /nfs/dbraw/zinc/51/57/48/954515748.db2.gz XBFQYBAEYYQOPC-JOCCRWCTSA-N -1 0 327.424 3.632 20 0 EHADRM CC(C)[C@H](NC(=O)c1coc(/C=C\C(=O)[O-])c1)c1ccc(F)cc1 ZINC001602992455 972022379 /nfs/dbraw/zinc/02/23/79/972022379.db2.gz GCEIPDXZQHQIOV-QWPQOLDESA-N -1 0 331.343 3.644 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000669493647 954575890 /nfs/dbraw/zinc/57/58/90/954575890.db2.gz OYUAHWGOQZNXNO-ZDUSSCGKSA-N -1 0 348.443 3.711 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000679099046 954591167 /nfs/dbraw/zinc/59/11/67/954591167.db2.gz LBSJEJLKXCGPCT-MRXNPFEDSA-N -1 0 347.455 3.681 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2C[C@H](c3ccccc3)c3ccccc32)cn1 ZINC000683456445 954606032 /nfs/dbraw/zinc/60/60/32/954606032.db2.gz BQYJHFLDAXXAGZ-QGZVFWFLSA-N -1 0 344.370 3.572 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)N2CC=CC23CCCCC3)c2ccccc21 ZINC001594899979 954617295 /nfs/dbraw/zinc/61/72/95/954617295.db2.gz GQFBRERGZAUPSO-IAGOWNOFSA-N -1 0 340.423 3.584 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(OCC2CCCCC2)cc1 ZINC001589437491 954691647 /nfs/dbraw/zinc/69/16/47/954691647.db2.gz IAUUTRHCEYDXDY-KRWDZBQOSA-N -1 0 333.428 3.581 20 0 EHADRM CC[C@H](C)[C@@H](OC)C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001589457899 954847692 /nfs/dbraw/zinc/84/76/92/954847692.db2.gz UIZQHQLITAIQSD-PKFCDNJMSA-N -1 0 339.457 3.571 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2cccc3ccsc32)cc1 ZINC000386357367 972047077 /nfs/dbraw/zinc/04/70/77/972047077.db2.gz VOHFDYRXLJMRLC-UHFFFAOYSA-N -1 0 327.361 3.617 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)c2cccc3ccsc32)c1 ZINC000386371155 972048332 /nfs/dbraw/zinc/04/83/32/972048332.db2.gz YROXHYRIUPXBSU-UHFFFAOYSA-N -1 0 325.389 3.572 20 0 EHADRM CC[C@H](C)Oc1ccc(NC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)cc1 ZINC001589463624 954876491 /nfs/dbraw/zinc/87/64/91/954876491.db2.gz GFYKYVKJBXCCCW-MELADBBJSA-N -1 0 334.416 3.581 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)N1CCC[C@](CC)(C(=O)[O-])C1 ZINC001589464317 954886349 /nfs/dbraw/zinc/88/63/49/954886349.db2.gz FWXAPFFATWDGAS-YWZLYKJASA-N -1 0 347.455 3.682 20 0 EHADRM CCCC[C@@H](NC(=O)c1ccccc1SC(F)(F)F)C(=O)[O-] ZINC000386402992 972050986 /nfs/dbraw/zinc/05/09/86/972050986.db2.gz MABMKWYAGZFJLC-SNVBAGLBSA-N -1 0 335.347 3.672 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)/C(F)=C/C2CCCCC2)Cc2ccccc21 ZINC001594941370 954896939 /nfs/dbraw/zinc/89/69/39/954896939.db2.gz IYLQYVBOOGVLJL-FNTDYBJHSA-N -1 0 331.387 3.631 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(N2CCCCC2)c(F)c1 ZINC001589480320 954968988 /nfs/dbraw/zinc/96/89/88/954968988.db2.gz QMENQXWIYNIWKK-UHFFFAOYSA-N -1 0 336.407 3.646 20 0 EHADRM CCC(CC)(CNC(=O)C[C@H](c1cccs1)n1cccc1)C(=O)[O-] ZINC001589488138 954998520 /nfs/dbraw/zinc/99/85/20/954998520.db2.gz XEVZSKMNRDVBHM-CQSZACIVSA-N -1 0 348.468 3.536 20 0 EHADRM CCC(CC)(CNC(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1)C(=O)[O-] ZINC001589489103 955005270 /nfs/dbraw/zinc/00/52/70/955005270.db2.gz XWODVIOUXRNUNK-RDJZCZTQSA-N -1 0 346.471 3.713 20 0 EHADRM CCC(CC)(CNC(=O)c1cc2c(cccc2C2CC2)[nH]1)C(=O)[O-] ZINC001589497966 955024808 /nfs/dbraw/zinc/02/48/08/955024808.db2.gz FUZBHLSTXXLGAR-UHFFFAOYSA-N -1 0 328.412 3.666 20 0 EHADRM O=C([O-])/C=C/c1cc(-c2nc(Cc3ccc(Cl)cc3)no2)co1 ZINC001594963940 955031714 /nfs/dbraw/zinc/03/17/14/955031714.db2.gz AFHUMERRWAYCSQ-AATRIKPKSA-N -1 0 330.727 3.672 20 0 EHADRM CC[C@@H](CNC(=O)N1CCCC[C@@H]1c1cccc(C)c1C)C(=O)[O-] ZINC001589529338 955144116 /nfs/dbraw/zinc/14/41/16/955144116.db2.gz VFJAPXHHOOKRQM-DOTOQJQBSA-N -1 0 332.444 3.651 20 0 EHADRM CC(C)C[C@H]1CCCCN1C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001603018062 972074289 /nfs/dbraw/zinc/07/42/89/972074289.db2.gz FVZABKPZXHMTHA-YLJYHZDGSA-N -1 0 346.471 3.639 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCCC[C@@H]1CC(C)C)CC(=O)[O-] ZINC001603018453 972077864 /nfs/dbraw/zinc/07/78/64/972077864.db2.gz RIKAOQVDHYGZIX-JKSUJKDBSA-N -1 0 326.481 3.734 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000786621078 955344488 /nfs/dbraw/zinc/34/44/88/955344488.db2.gz OFBPBCHAVPOOTD-ZDUSSCGKSA-N -1 0 329.371 3.660 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)Nc1cccnc1C(=O)[O-] ZINC001589007704 955374878 /nfs/dbraw/zinc/37/48/78/955374878.db2.gz PXYRXWRTRPEQCC-ZDUSSCGKSA-N -1 0 341.411 3.658 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1)C(=O)[O-] ZINC001603036330 972096926 /nfs/dbraw/zinc/09/69/26/972096926.db2.gz VIZMVRGJZFMQFR-MRXNPFEDSA-N -1 0 330.428 3.695 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)/C=C\c1ccc(Cl)s1 ZINC000387016603 972097390 /nfs/dbraw/zinc/09/73/90/972097390.db2.gz HSMGWSRBRJRKKE-XPOZZMFHSA-N -1 0 339.844 3.659 20 0 EHADRM O=C([O-])CCCC(=O)N[C@@H](CCc1ccccc1)c1ccccc1 ZINC000844248609 955664263 /nfs/dbraw/zinc/66/42/63/955664263.db2.gz CDWMVIOSDSNUIB-SFHVURJKSA-N -1 0 325.408 3.732 20 0 EHADRM C[C@@H](CSC(F)(F)F)C(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC001589076756 955823953 /nfs/dbraw/zinc/82/39/53/955823953.db2.gz BTCFCXDRAXYDBL-VIFPVBQESA-N -1 0 347.358 3.553 20 0 EHADRM CC(C)N(Cc1ccccn1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001603068670 972136628 /nfs/dbraw/zinc/13/66/28/972136628.db2.gz NMTLFZXZBIYTJO-UHFFFAOYSA-N -1 0 341.411 3.541 20 0 EHADRM Cc1ccc(-c2ccccc2NC(=O)N2CC[C@@H](C(=O)[O-])C2)s1 ZINC000864606219 956007014 /nfs/dbraw/zinc/00/70/14/956007014.db2.gz BGVARKUCDZXTNI-GFCCVEGCSA-N -1 0 330.409 3.662 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)c1cscn1 ZINC001589109077 956055505 /nfs/dbraw/zinc/05/55/05/956055505.db2.gz XMSWMIJPCVHZDU-LURJTMIESA-N -1 0 343.767 3.517 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC000872718106 956061051 /nfs/dbraw/zinc/06/10/51/956061051.db2.gz IIGOZDQBBCZOTM-UHFFFAOYSA-N -1 0 333.428 3.581 20 0 EHADRM CC(C)C[C@@H]1C[C@H]1C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000388098563 972155176 /nfs/dbraw/zinc/15/51/76/972155176.db2.gz WUKDKJFSHDISBT-MWLCHTKSSA-N -1 0 340.217 3.768 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(C)C(=O)NCc1ccccc1C(=O)[O-] ZINC000874410118 956183761 /nfs/dbraw/zinc/18/37/61/956183761.db2.gz KFNPZIZUYNRJRF-KRWDZBQOSA-N -1 0 340.423 3.548 20 0 EHADRM CC(C)N(Cc1cccs1)C(=O)NCc1ccccc1C(=O)[O-] ZINC000874410302 956185454 /nfs/dbraw/zinc/18/54/54/956185454.db2.gz PKFXPOAUBNXYPI-UHFFFAOYSA-N -1 0 332.425 3.567 20 0 EHADRM CC(C)[C@@H](NC(=O)Nc1cccc(SC(F)(F)F)c1)C(=O)[O-] ZINC001603089068 972163786 /nfs/dbraw/zinc/16/37/86/972163786.db2.gz MGZJGDZUMZWCLI-SNVBAGLBSA-N -1 0 336.335 3.529 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000901438296 956308809 /nfs/dbraw/zinc/30/88/09/956308809.db2.gz WSKAQCVCOFCGLB-UHFFFAOYSA-N -1 0 337.725 3.734 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N2CCCCC[C@H]2c2ccncc2)o1 ZINC000901566365 956341584 /nfs/dbraw/zinc/34/15/84/956341584.db2.gz CRLGZXJPOIJATF-IOBAAEILSA-N -1 0 340.379 3.530 20 0 EHADRM C[C@H](OC(=O)[C@H](C(=O)[O-])C(C)(C)C)c1ccc(OC(F)F)cc1 ZINC001589154385 956363138 /nfs/dbraw/zinc/36/31/38/956363138.db2.gz SVDCFRIULWYCFQ-CABZTGNLSA-N -1 0 330.327 3.639 20 0 EHADRM Cc1nc2c(Cl)cccc2cc1C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000901653372 956404836 /nfs/dbraw/zinc/40/48/36/956404836.db2.gz HKAPZYQQVKZWIA-GWCFXTLKSA-N -1 0 346.814 3.522 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)N2CCC(c3ccccc3F)CC2)co1 ZINC000901772960 956461434 /nfs/dbraw/zinc/46/14/34/956461434.db2.gz CSBILKIAQYIBDC-WAYWQWQTSA-N -1 0 343.354 3.536 20 0 EHADRM C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001589176738 956508993 /nfs/dbraw/zinc/50/89/93/956508993.db2.gz JFIIZAQPDZBTJL-XJKSGUPXSA-N -1 0 339.395 3.580 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)N[C@@H](C2CCC2)C2CCCCC2)CC1 ZINC001589191714 956597497 /nfs/dbraw/zinc/59/74/97/956597497.db2.gz SADWXQYWSKWCTK-MRXNPFEDSA-N -1 0 336.476 3.632 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](CC(=O)[O-])C(C)(C)C ZINC000388916924 972198389 /nfs/dbraw/zinc/19/83/89/972198389.db2.gz CPNUFNDYDHRRCI-ZWNOBZJWSA-N -1 0 343.876 3.826 20 0 EHADRM CCCN(CC(F)(F)F)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000388915102 972198397 /nfs/dbraw/zinc/19/83/97/972198397.db2.gz UWMXMCSCPBLQRE-UHFFFAOYSA-N -1 0 338.713 3.844 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N[C@@H](c2ccc(F)cc2F)C2CC2)o1 ZINC001594670206 956612167 /nfs/dbraw/zinc/61/21/67/956612167.db2.gz OFEKFFSPICOQGG-CTEOGUNLSA-N -1 0 347.317 3.537 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)NCC2(c3ccccc3)CCCC2)o1 ZINC001594670404 956614387 /nfs/dbraw/zinc/61/43/87/956614387.db2.gz QNRGCPJDXYNNHQ-PKNBQFBNSA-N -1 0 339.391 3.619 20 0 EHADRM O=C([O-])c1cc(NC(=O)/C=C\c2ccc(F)c3ccccc23)ccn1 ZINC001594674596 956647047 /nfs/dbraw/zinc/64/70/47/956647047.db2.gz IXTWRKIZBQEANA-VURMDHGXSA-N -1 0 336.322 3.724 20 0 EHADRM CC1(C)CN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)[C@@H]1c1cccs1 ZINC000902097557 956649653 /nfs/dbraw/zinc/64/96/53/956649653.db2.gz KKFFITORWQAOIS-PMGBHYCQSA-N -1 0 331.393 3.662 20 0 EHADRM O=C([O-])c1c(-c2ccsc2)csc1NC(=O)C[C@H]1CCCO1 ZINC001594677584 956670903 /nfs/dbraw/zinc/67/09/03/956670903.db2.gz RHMKDPJEZNMENJ-SNVBAGLBSA-N -1 0 337.422 3.682 20 0 EHADRM CC1(C)CC[C@H](NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001589225293 956788697 /nfs/dbraw/zinc/78/86/97/956788697.db2.gz WMPNWZFXHPIRSO-VQHPVUNQSA-N -1 0 329.440 3.576 20 0 EHADRM C[C@H]1CN(c2ccccc2NCc2ccc(C(=O)[O-])s2)C[C@H](C)O1 ZINC000903674095 956853707 /nfs/dbraw/zinc/85/37/07/956853707.db2.gz WKWQWORCRHDANR-STQMWFEESA-N -1 0 346.452 3.672 20 0 EHADRM C[C@@H]1CN(c2ccccc2NCc2ccc(C(=O)[O-])s2)C[C@@H](C)O1 ZINC000903674094 956854085 /nfs/dbraw/zinc/85/40/85/956854085.db2.gz WKWQWORCRHDANR-CHWSQXEVSA-N -1 0 346.452 3.672 20 0 EHADRM COc1ccc(C)cc1NC(=O)CSCc1ccc(C(=O)[O-])cc1 ZINC000013066162 956922241 /nfs/dbraw/zinc/92/22/41/956922241.db2.gz REGNWWBWBNAKBO-UHFFFAOYSA-N -1 0 345.420 3.574 20 0 EHADRM O=C([O-])c1ccc2ccccc2c1OCC(=O)NCC1CCCCC1 ZINC000013086313 956939531 /nfs/dbraw/zinc/93/95/31/956939531.db2.gz GAJOGGAPHQXGJN-UHFFFAOYSA-N -1 0 341.407 3.613 20 0 EHADRM CCc1sc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cc1C ZINC000013177648 956959772 /nfs/dbraw/zinc/95/97/72/956959772.db2.gz FBWCESAHPUSYIR-ZDUSSCGKSA-N -1 0 335.400 3.704 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OCC(=O)Nc1ccccc1C(C)C ZINC000013248519 956990207 /nfs/dbraw/zinc/99/02/07/956990207.db2.gz RWPZLTKOIIKSSU-UHFFFAOYSA-N -1 0 327.380 3.834 20 0 EHADRM CCCCNc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000013276935 957008437 /nfs/dbraw/zinc/00/84/37/957008437.db2.gz MLXIESQTNCQXQT-UHFFFAOYSA-N -1 0 342.351 3.736 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2ccccc2-n2cccc2)c2ccccc21 ZINC001594728107 957021866 /nfs/dbraw/zinc/02/18/66/957021866.db2.gz WTPWQIXPUMFWDH-QZTJIDSGSA-N -1 0 346.386 3.520 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1sc2cccc(F)c2c1Cl ZINC000909721656 957036069 /nfs/dbraw/zinc/03/60/69/957036069.db2.gz PBTUJULNMOGUEK-APPZFPTMSA-N -1 0 341.791 3.677 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)c1cccc(C(F)(F)F)c1 ZINC000013390319 957043948 /nfs/dbraw/zinc/04/39/48/957043948.db2.gz JOCPUDJSHGDEIX-UHFFFAOYSA-N -1 0 349.308 3.997 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)C(C)(C)Oc1ccc(F)cc1 ZINC000013391331 957047894 /nfs/dbraw/zinc/04/78/94/957047894.db2.gz XJQJALNDAGFZLE-UHFFFAOYSA-N -1 0 331.343 3.628 20 0 EHADRM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)C1(C(=O)[O-])C(C)(C)C1(C)C ZINC001589263463 957067821 /nfs/dbraw/zinc/06/78/21/957067821.db2.gz NFFSKSOJNDNRFM-UKRRQHHQSA-N -1 0 329.440 3.528 20 0 EHADRM C[C@H]1CCc2sc(C(=O)Nc3ccc(CC(=O)[O-])cc3)cc2C1 ZINC000013439062 957076493 /nfs/dbraw/zinc/07/64/93/957076493.db2.gz JTGSUCGDAGFMGN-NSHDSACASA-N -1 0 329.421 3.752 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)N(C)c3ccccc3C(=O)[O-])cc2C1 ZINC000013440726 957079272 /nfs/dbraw/zinc/07/92/72/957079272.db2.gz ILDMJFUSDKTISB-LLVKDONJSA-N -1 0 329.421 3.848 20 0 EHADRM COc1ccc2cc(C(=O)N3CCc4cc(C(=O)[O-])ccc43)ccc2c1 ZINC000013449496 957087554 /nfs/dbraw/zinc/08/75/54/957087554.db2.gz COZOOFVOBDHRBD-UHFFFAOYSA-N -1 0 347.370 3.750 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2cc(OC)ccc2C2CC2)C1 ZINC000926191306 957148053 /nfs/dbraw/zinc/14/80/53/957148053.db2.gz XLISJTQSRVNHJQ-LJQANCHMSA-N -1 0 346.427 3.681 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cccc(Br)c2)ccc1F ZINC000037402632 957275179 /nfs/dbraw/zinc/27/51/79/957275179.db2.gz UARXJJLLWIDLRY-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM CCOc1cccc([C@H](C)NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC001263062213 957282806 /nfs/dbraw/zinc/28/28/06/957282806.db2.gz NSSZYOJGBFWPRT-GOEBONIOSA-N -1 0 348.443 3.575 20 0 EHADRM COc1ccc2cc(C(=O)Nc3ccccc3CC(=O)[O-])ccc2c1 ZINC001322715327 957307237 /nfs/dbraw/zinc/30/72/37/957307237.db2.gz SWHZFBNPUMOGFG-UHFFFAOYSA-N -1 0 335.359 3.728 20 0 EHADRM CN(C(=O)Nc1ccc(Br)cc1C(=O)[O-])C1CCCC1 ZINC000050208770 957485452 /nfs/dbraw/zinc/48/54/52/957485452.db2.gz LAZYBWWBFPKUFG-UHFFFAOYSA-N -1 0 341.205 3.554 20 0 EHADRM COc1cc(Cl)ccc1-c1nnc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000390214415 972270300 /nfs/dbraw/zinc/27/03/00/972270300.db2.gz OPQDRUFXGRHOOJ-UHFFFAOYSA-N -1 0 330.727 3.764 20 0 EHADRM CC1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])CC1 ZINC000390247810 972271732 /nfs/dbraw/zinc/27/17/32/972271732.db2.gz LLAWQYKLZQXSIZ-UHFFFAOYSA-N -1 0 330.306 3.667 20 0 EHADRM C/C=C/C=C/C(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC000056169735 957549208 /nfs/dbraw/zinc/54/92/08/957549208.db2.gz MTAVNUJAGOWNBA-XPQLPGEHSA-N -1 0 328.393 3.508 20 0 EHADRM C[C@@H](NC(=O)NCCCCC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000070200220 957663526 /nfs/dbraw/zinc/66/35/26/957663526.db2.gz XLLFGJVAWWAJKE-SECBINFHSA-N -1 0 333.215 3.609 20 0 EHADRM O=C([O-])CCCCNC(=O)CCCSc1ccc(Cl)cc1 ZINC000070198189 957663773 /nfs/dbraw/zinc/66/37/73/957663773.db2.gz WBVDUWAINZMIQM-UHFFFAOYSA-N -1 0 329.849 3.583 20 0 EHADRM O=C([O-])c1cnc(NCCCCOCc2ccccc2)c(Cl)c1 ZINC000390418217 972283191 /nfs/dbraw/zinc/28/31/91/972283191.db2.gz IJQVLTMTJUZWSN-UHFFFAOYSA-N -1 0 334.803 3.842 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(CC(=O)[O-])c2)c(-n2cccc2)s1 ZINC001594280859 957740844 /nfs/dbraw/zinc/74/08/44/957740844.db2.gz REBUDDYZKZCPAO-UHFFFAOYSA-N -1 0 340.404 3.727 20 0 EHADRM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCCCCC(=O)[O-] ZINC000075241516 957742159 /nfs/dbraw/zinc/74/21/59/957742159.db2.gz LTMJOPWJLHISFB-JTQLQIEISA-N -1 0 348.226 3.522 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)C1[C@H]3CCCCCC[C@H]13)CCOC2 ZINC001574787924 957793033 /nfs/dbraw/zinc/79/30/33/957793033.db2.gz KECBRHQVYVAQDE-QWRGUYRKSA-N -1 0 349.452 3.674 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CC3(CCCC3)[C@H]2c2ccccc2)cn1 ZINC001574791308 957814159 /nfs/dbraw/zinc/81/41/59/957814159.db2.gz VTSLIROHBQIVJP-QGZVFWFLSA-N -1 0 336.391 3.537 20 0 EHADRM CON(C(=O)c1ccc(Oc2cccc(Cl)c2)cc1)[C@@H](C)C(=O)[O-] ZINC001594038984 957843935 /nfs/dbraw/zinc/84/39/35/957843935.db2.gz JACKDQINVINGPE-NSHDSACASA-N -1 0 349.770 3.609 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC001574810488 957875575 /nfs/dbraw/zinc/87/55/75/957875575.db2.gz HLBITDXHYWJYMR-AEFFLSMTSA-N -1 0 337.419 3.660 20 0 EHADRM COc1ccc(Br)c(COc2cccc(C(=O)[O-])c2)c1 ZINC000087786471 958031537 /nfs/dbraw/zinc/03/15/37/958031537.db2.gz MIHOTTOPCKYWRN-UHFFFAOYSA-N -1 0 337.169 3.735 20 0 EHADRM COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)CCC(=O)[O-] ZINC001594057775 958053209 /nfs/dbraw/zinc/05/32/09/958053209.db2.gz MUKPBUMAYGUXGL-UHFFFAOYSA-N -1 0 347.342 3.738 20 0 EHADRM Cc1cc(NC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc(C(F)(F)F)c1 ZINC001594317626 958084959 /nfs/dbraw/zinc/08/49/59/958084959.db2.gz MPQWNCMNLNGSPI-GWCFXTLKSA-N -1 0 344.333 3.588 20 0 EHADRM C[C@H](NC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)c1csc2ccccc21 ZINC001353058631 958140554 /nfs/dbraw/zinc/14/05/54/958140554.db2.gz OHMSWXQRLUEKRA-MBNYWOFBSA-N -1 0 346.452 3.715 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(-c3ccccc3)s2)CC[C@@H]1C(=O)[O-] ZINC001353922268 958163177 /nfs/dbraw/zinc/16/31/77/958163177.db2.gz MUFDBGNVOCYMIC-JSGCOSHPSA-N -1 0 329.421 3.598 20 0 EHADRM Cc1cc2scc(CC(=O)Nc3cccnc3C(=O)[O-])c2s1 ZINC001594332664 958241078 /nfs/dbraw/zinc/24/10/78/958241078.db2.gz AHTNEJPYFNYJHX-UHFFFAOYSA-N -1 0 332.406 3.546 20 0 EHADRM Cc1nc(-c2ccc(C)cc2)sc1C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC001594335595 958261618 /nfs/dbraw/zinc/26/16/18/958261618.db2.gz VYHCHWHFBIFDEU-AWEZNQCLSA-N -1 0 346.452 3.514 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])cc1 ZINC001594336138 958267789 /nfs/dbraw/zinc/26/77/89/958267789.db2.gz ZHXSZZXJNBZQFO-CABCVRRESA-N -1 0 329.421 3.707 20 0 EHADRM Cc1ccc(-c2ocnc2C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001594336793 958268992 /nfs/dbraw/zinc/26/89/92/958268992.db2.gz BDVKFPATQDIVDG-CQSZACIVSA-N -1 0 344.411 3.659 20 0 EHADRM Cc1cscc1C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000094246470 958283680 /nfs/dbraw/zinc/28/36/80/958283680.db2.gz NBQXVRXIRSQWQA-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM CCc1ccc(NC(=O)N2CCSC(C)(C)CC2)c(C(=O)[O-])c1 ZINC000391429674 972335658 /nfs/dbraw/zinc/33/56/58/972335658.db2.gz FVWATNHGTJYSLL-UHFFFAOYSA-N -1 0 336.457 3.697 20 0 EHADRM Cc1ccc([C@H](NCCOc2ccccc2C(=O)[O-])C(F)(F)F)o1 ZINC001594350855 958352686 /nfs/dbraw/zinc/35/26/86/958352686.db2.gz AOHYUJJOQGTYJV-AWEZNQCLSA-N -1 0 343.301 3.558 20 0 EHADRM O=C([O-])c1cccc(-c2nnc(-c3ccccc3Br)o2)c1 ZINC000109606559 958378001 /nfs/dbraw/zinc/37/80/01/958378001.db2.gz NNEHOTBIBKDTEX-UHFFFAOYSA-N -1 0 345.152 3.864 20 0 EHADRM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Nc2cncc(C(=O)[O-])c2)o1 ZINC001594354294 958399104 /nfs/dbraw/zinc/39/91/04/958399104.db2.gz QFXYIBIJEYPPDH-XHDPSFHLSA-N -1 0 343.383 3.686 20 0 EHADRM Cc1ccc(CCC(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC001594355362 958410962 /nfs/dbraw/zinc/41/09/62/958410962.db2.gz JKAGFSRBBWDYJW-OAHLLOKOSA-N -1 0 329.421 3.594 20 0 EHADRM Cc1ccc(CCNC(=O)Nc2cccc(CCC(=O)[O-])c2)c(C)c1 ZINC001594357324 958418618 /nfs/dbraw/zinc/41/86/18/958418618.db2.gz HILDWADXDNIDGC-UHFFFAOYSA-N -1 0 340.423 3.685 20 0 EHADRM COc1ccc(OCc2cc(C)c(C(=O)[O-])o2)c(Br)c1 ZINC000123342953 958500457 /nfs/dbraw/zinc/50/04/57/958500457.db2.gz GDLCPBLYZNRHDT-UHFFFAOYSA-N -1 0 341.157 3.636 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(-c2cc(Br)cs2)n1 ZINC000123891420 958512301 /nfs/dbraw/zinc/51/23/01/958512301.db2.gz BNHKWZZRRPWTTO-UHFFFAOYSA-N -1 0 332.244 3.996 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1C ZINC001594112097 958520021 /nfs/dbraw/zinc/52/00/21/958520021.db2.gz VXDPBYCJORNQEB-LLVKDONJSA-N -1 0 346.358 3.724 20 0 EHADRM Cc1ccc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c(F)c1 ZINC001594372771 958551973 /nfs/dbraw/zinc/55/19/73/958551973.db2.gz PRRQBTAYVIMXON-CJNGLKHVSA-N -1 0 328.343 3.569 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(-c2cccs2)o1)c1ccc(F)cc1 ZINC001605729726 972360267 /nfs/dbraw/zinc/36/02/67/972360267.db2.gz FCFHZZQBXJUJFF-HNNXBMFYSA-N -1 0 345.351 3.703 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC001594123395 958611341 /nfs/dbraw/zinc/61/13/41/958611341.db2.gz JMRSMUNKADDNSV-HLLBOEOZSA-N -1 0 347.455 3.681 20 0 EHADRM Cc1ccc2nc(NC(=O)c3coc(/C=C\C(=O)[O-])c3)sc2c1 ZINC001594385161 958653887 /nfs/dbraw/zinc/65/38/87/958653887.db2.gz GVFCURHHPFEYDB-HYXAFXHYSA-N -1 0 328.349 3.548 20 0 EHADRM Cc1ccc2oc(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)cc2c1 ZINC001594386530 958678321 /nfs/dbraw/zinc/67/83/21/958678321.db2.gz WTMUKTCTOCDCBM-AWEZNQCLSA-N -1 0 346.427 3.677 20 0 EHADRM CC(C)(C)[C@H]1CCc2sc(C(=O)Nc3cc(C(=O)[O-])n[nH]3)cc2C1 ZINC001573390467 958694031 /nfs/dbraw/zinc/69/40/31/958694031.db2.gz LGENNCSDJCMMOU-JTQLQIEISA-N -1 0 347.440 3.573 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2cc3c(s2)CC[C@@H](C)C3)C(=O)[O-])c1 ZINC001594392782 958745623 /nfs/dbraw/zinc/74/56/23/958745623.db2.gz KEFZMNBUMZBTHE-SJKOYZFVSA-N -1 0 343.448 3.737 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001594145291 958755503 /nfs/dbraw/zinc/75/55/03/958755503.db2.gz LQNWFLIEKVSQAM-ZBFHGGJFSA-N -1 0 349.471 3.660 20 0 EHADRM Cc1ccc2c(CC(=O)N[C@@H](C(=O)[O-])c3cccc(C)c3)coc2c1 ZINC001594397409 958781169 /nfs/dbraw/zinc/78/11/69/958781169.db2.gz KSJHTZZTDVMIBG-LJQANCHMSA-N -1 0 337.375 3.534 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(CC(=O)[O-])c2)ccc1Br ZINC000137458192 958926791 /nfs/dbraw/zinc/92/67/91/958926791.db2.gz SWLDBKAQFFCBNP-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM Cc1cc(C(=O)Nc2sccc2C(=O)[O-])ccc1Br ZINC000137440188 958927214 /nfs/dbraw/zinc/92/72/14/958927214.db2.gz FHCQFKXIAZEMKU-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM Cc1cccc(Oc2ccc(Cl)cc2NC(=O)NCC(=O)[O-])c1 ZINC001594409470 958935264 /nfs/dbraw/zinc/93/52/64/958935264.db2.gz RDTZKPHOJVKKPX-UHFFFAOYSA-N -1 0 334.759 3.647 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2cccc(C(F)F)c2)c2ccccc21 ZINC001605743716 972390195 /nfs/dbraw/zinc/39/01/95/972390195.db2.gz OAWDGUFVVXGYMG-HUUCEWRRSA-N -1 0 331.318 3.667 20 0 EHADRM Cc1cccc2c1CCC[C@H]2NC(=O)NCc1ccccc1C(=O)[O-] ZINC001594413012 958962640 /nfs/dbraw/zinc/96/26/40/958962640.db2.gz QTLSPLGQGSOQOR-GOSISDBHSA-N -1 0 338.407 3.570 20 0 EHADRM CCCC[C@@H](CCC)NC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000391939880 972392749 /nfs/dbraw/zinc/39/27/49/972392749.db2.gz NKHYYCXILHILID-HUUCEWRRSA-N -1 0 326.481 3.878 20 0 EHADRM C[C@H](C(=O)Nc1ccc(O)c(C(=O)[O-])c1)c1cc2ccccc2o1 ZINC001588557404 959066424 /nfs/dbraw/zinc/06/64/24/959066424.db2.gz GGKZIPZSJBWALD-JTQLQIEISA-N -1 0 325.320 3.579 20 0 EHADRM CC(C)(C)c1nc(COc2c(C(=O)[O-])ccc3ccccc32)no1 ZINC000392028814 972402324 /nfs/dbraw/zinc/40/23/24/972402324.db2.gz JIVKCRHARYSJEK-UHFFFAOYSA-N -1 0 326.352 3.798 20 0 EHADRM CSc1cc(NC(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)ccc1Cl ZINC001594190035 959165465 /nfs/dbraw/zinc/16/54/65/959165465.db2.gz NVHVNMDXDKJLDD-MWLCHTKSSA-N -1 0 342.848 3.636 20 0 EHADRM CSc1ccc(Cl)c(NC(=O)C2(C(=O)[O-])CCSCC2)c1 ZINC001594194320 959188119 /nfs/dbraw/zinc/18/81/19/959188119.db2.gz XSFJUIGHPNZQRC-UHFFFAOYSA-N -1 0 345.873 3.598 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000392094073 972408982 /nfs/dbraw/zinc/40/89/82/972408982.db2.gz VKPCYUHERFWFSQ-SNVBAGLBSA-N -1 0 334.322 3.854 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)N2CCC[C@](C)(C(=O)[O-])C2)c1 ZINC000392112494 972410859 /nfs/dbraw/zinc/41/08/59/972410859.db2.gz ANDFMHNFGOPROU-UGSOOPFHSA-N -1 0 334.416 3.583 20 0 EHADRM CC(C)[C@@H]1C[C@@H](OC(=O)C2(CC(=O)[O-])CCOCC2)c2ccccc21 ZINC001573558898 959267131 /nfs/dbraw/zinc/26/71/31/959267131.db2.gz XCLJWCAFFOXXPM-DLBZAZTESA-N -1 0 346.423 3.686 20 0 EHADRM CC(C)c1cc(C(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])c2ccccc2n1 ZINC001573559594 959275129 /nfs/dbraw/zinc/27/51/29/959275129.db2.gz ZLTPXGDNCQIAMJ-UGSOOPFHSA-N -1 0 340.423 3.684 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)O[C@@H](C)c1ccccc1OCc1ccc(F)cc1 ZINC001588585464 959304294 /nfs/dbraw/zinc/30/42/94/959304294.db2.gz MNSAULAKWLGHFZ-OLZOCXBDSA-N -1 0 346.354 3.730 20 0 EHADRM CCCc1nc(COc2cn(-c3ccccc3)nc2C(=O)[O-])cs1 ZINC000392172652 972419973 /nfs/dbraw/zinc/41/99/73/972419973.db2.gz OKDNXAKUTFONGX-UHFFFAOYSA-N -1 0 343.408 3.559 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)CCCSc1ccc(Cl)cc1 ZINC001594217157 959336936 /nfs/dbraw/zinc/33/69/36/959336936.db2.gz CLMFCYCGQQDLOU-BXUZGUMPSA-N -1 0 341.860 3.676 20 0 EHADRM C[C@H](C(=O)[O-])c1noc(Cc2csc(-c3ccc(Cl)cc3)n2)n1 ZINC001588601627 959427236 /nfs/dbraw/zinc/42/72/36/959427236.db2.gz GPUWUGCXDZRJSK-QMMMGPOBSA-N -1 0 349.799 3.625 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)c3cc(C(=O)[O-])co3)ccc21 ZINC000183774657 959448448 /nfs/dbraw/zinc/44/84/48/959448448.db2.gz DFTHPDPHOMJOGW-UHFFFAOYSA-N -1 0 326.352 3.841 20 0 EHADRM Cc1cccc(OCCC(=O)NCC2(CC(=O)[O-])CCCCC2)c1C ZINC000392236121 972431701 /nfs/dbraw/zinc/43/17/01/972431701.db2.gz SRNIAZIMSCVGPV-UHFFFAOYSA-N -1 0 347.455 3.614 20 0 EHADRM CC(C)(C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)[C@H]1CCCCO1 ZINC001588610087 959502430 /nfs/dbraw/zinc/50/24/30/959502430.db2.gz NSEYMCWIBBHBFQ-LLVKDONJSA-N -1 0 343.782 3.711 20 0 EHADRM Cc1c(C(=O)[O-])cc(CNc2ccc(N3CCCCC3)cc2)n1C ZINC000392259739 972435041 /nfs/dbraw/zinc/43/50/41/972435041.db2.gz PXTMZRNOKYMQLX-UHFFFAOYSA-N -1 0 327.428 3.634 20 0 EHADRM Cc1noc(C)c1[C@H](C)CC(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000190765950 959520406 /nfs/dbraw/zinc/52/04/06/959520406.db2.gz IVJLEWUHYBHYQA-WBMJQRKESA-N -1 0 344.411 3.507 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)c2ccc3c(c2)CCCC3)c1F ZINC000392264423 972435929 /nfs/dbraw/zinc/43/59/29/972435929.db2.gz UVCMOWRIXZIVAM-UHFFFAOYSA-N -1 0 331.318 3.794 20 0 EHADRM Cc1ccc(SC2CCCC2)c(C(=O)N(C)C[C@@H](C)C(=O)[O-])c1 ZINC000190940764 959531714 /nfs/dbraw/zinc/53/17/14/959531714.db2.gz HWUIKWPPLKCMDJ-CYBMUJFWSA-N -1 0 335.469 3.822 20 0 EHADRM C[C@@H](CNC(=O)c1cccc(Oc2ccc(Cl)cc2)c1)C(=O)[O-] ZINC000190962314 959532478 /nfs/dbraw/zinc/53/24/78/959532478.db2.gz VCMHAEOTVMIXJY-NSHDSACASA-N -1 0 333.771 3.583 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2ccccc2OC(F)(F)F)c1 ZINC000191055770 959538729 /nfs/dbraw/zinc/53/87/29/959538729.db2.gz QDOCCSRMIWQLAX-UHFFFAOYSA-N -1 0 343.232 3.675 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cc1)C(=O)[O-] ZINC000191387786 959556735 /nfs/dbraw/zinc/55/67/35/959556735.db2.gz SOIOEGXHHVUYOU-ZDUSSCGKSA-N -1 0 341.382 3.759 20 0 EHADRM Cc1ccc(OCC(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1C ZINC000191400550 959558651 /nfs/dbraw/zinc/55/86/51/959558651.db2.gz ACOILCUNJQNDAI-HNNXBMFYSA-N -1 0 341.407 3.584 20 0 EHADRM Cc1[nH]c2ccccc2c1C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000191435027 959568834 /nfs/dbraw/zinc/56/88/34/959568834.db2.gz WAJBLYROSNTFQY-GFCCVEGCSA-N -1 0 336.391 3.992 20 0 EHADRM Cc1cc(NC(=O)c2ccc(C(=O)[O-])o2)ccc1Oc1cccnc1 ZINC000191577478 959583735 /nfs/dbraw/zinc/58/37/35/959583735.db2.gz GNZMUPOWDNRBRY-UHFFFAOYSA-N -1 0 338.319 3.726 20 0 EHADRM Cc1[nH]c2ccccc2c1C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001594250151 959603702 /nfs/dbraw/zinc/60/37/02/959603702.db2.gz POXSNDFXYGRTEQ-RDJZCZTQSA-N -1 0 334.375 3.519 20 0 EHADRM C=C[C@H](CC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000193068816 959611939 /nfs/dbraw/zinc/61/19/39/959611939.db2.gz AMSMFWOWRGSETA-IERDGZPVSA-N -1 0 337.419 3.505 20 0 EHADRM Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001594481068 959632479 /nfs/dbraw/zinc/63/24/79/959632479.db2.gz XTOYNOQXIZYVLR-ZDUSSCGKSA-N -1 0 349.475 3.549 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCc2cc(-c3ccccc3)oc2C1 ZINC001588635702 959657027 /nfs/dbraw/zinc/65/70/27/959657027.db2.gz NIUWLTMWVJPYKF-KRWDZBQOSA-N -1 0 341.407 3.578 20 0 EHADRM O=C([O-])c1cc(Br)ccc1OC(=O)/C=C\c1ccccc1 ZINC000210250605 959673495 /nfs/dbraw/zinc/67/34/95/959673495.db2.gz MHDNYPLGMSHIPK-TWGQIWQCSA-N -1 0 347.164 3.766 20 0 EHADRM CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)CCCC(=O)[O-])C(C)(C)O1 ZINC001573664958 959687074 /nfs/dbraw/zinc/68/70/74/959687074.db2.gz PDNPDAHUCPPXBO-MRXNPFEDSA-N -1 0 347.455 3.616 20 0 EHADRM CC1(C)C[C@H](NC(=O)NCc2ccccc2C(=O)[O-])c2ccccc21 ZINC001573665174 959689326 /nfs/dbraw/zinc/68/93/26/959689326.db2.gz SBPJFWRMUAESIB-KRWDZBQOSA-N -1 0 338.407 3.607 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCCc1cccc(-c2ccccc2)c1 ZINC001573667593 959704825 /nfs/dbraw/zinc/70/48/25/959704825.db2.gz ISWUCXBZCQBWQZ-NRFANRHFSA-N -1 0 337.419 3.513 20 0 EHADRM CC(C)(C)C1CCC(CNC(=O)N2CCC[C@H](CC(=O)[O-])C2)CC1 ZINC001588643524 959717977 /nfs/dbraw/zinc/71/79/77/959717977.db2.gz RYWHCQJWXMWBBB-HWOWSKLDSA-N -1 0 338.492 3.735 20 0 EHADRM Cc1c(Cl)ccc2c1CN(C(=O)C1(C(=O)[O-])C(C)(C)C1(C)C)CC2 ZINC001594263155 959720120 /nfs/dbraw/zinc/72/01/20/959720120.db2.gz YGEQFYNCIGNJRS-UHFFFAOYSA-N -1 0 349.858 3.670 20 0 EHADRM O=C([O-])[C@H](NC(=O)/C=C\c1ccc(Cl)s1)C1CCCCC1 ZINC000213438853 959721322 /nfs/dbraw/zinc/72/13/22/959721322.db2.gz OWUHCKPAAGOTLT-IUCKJTJTSA-N -1 0 327.833 3.564 20 0 EHADRM Cc1c(NCC(C)(C)C)cccc1C(=O)N([C@H](C)C(=O)[O-])C1CC1 ZINC001594267365 959750727 /nfs/dbraw/zinc/75/07/27/959750727.db2.gz WIRYDTQGXAAECH-CYBMUJFWSA-N -1 0 332.444 3.531 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)Nc1cccc(C(F)(F)F)n1)C(=O)[O-] ZINC001588650934 959765998 /nfs/dbraw/zinc/76/59/98/959765998.db2.gz RZYPGMATHVVXNM-VIFPVBQESA-N -1 0 347.337 3.501 20 0 EHADRM Cc1cc(-c2nc([C@H](C)C(=O)[O-])no2)ccc1NC(=O)OC(C)(C)C ZINC001594268301 959767435 /nfs/dbraw/zinc/76/74/35/959767435.db2.gz QHDGAEPHJDETST-JTQLQIEISA-N -1 0 347.371 3.580 20 0 EHADRM Cc1cc(-c2ncco2)ccc1NC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C ZINC001594268445 959770630 /nfs/dbraw/zinc/77/06/30/959770630.db2.gz YUHWUEARXIQJGN-UHFFFAOYSA-N -1 0 342.395 3.726 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)OC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001594269156 959781674 /nfs/dbraw/zinc/78/16/74/959781674.db2.gz YGICYGBJBFDOTP-MELADBBJSA-N -1 0 346.379 3.615 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2cc(Cl)sc2Cl)cc1 ZINC000223850591 959843759 /nfs/dbraw/zinc/84/37/59/959843759.db2.gz ZFRNRBDHHQHBMW-UHFFFAOYSA-N -1 0 346.191 3.771 20 0 EHADRM CC(C)n1cc(OCc2ccc(C(=O)[O-])cc2Br)cn1 ZINC000226699782 959893193 /nfs/dbraw/zinc/89/31/93/959893193.db2.gz VYKQDBHAFAYFBU-UHFFFAOYSA-N -1 0 339.189 3.504 20 0 EHADRM O=C([O-])[C@H]1CCCCCN1Cc1c(F)ccc(Br)c1F ZINC000230318716 960142699 /nfs/dbraw/zinc/14/26/99/960142699.db2.gz QZJOFWSFYXDKEJ-GFCCVEGCSA-N -1 0 348.187 3.557 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)Cc1ccccc1Oc1ccc(C)cc1 ZINC001573759093 960592514 /nfs/dbraw/zinc/59/25/14/960592514.db2.gz OEQYQLJBHTWMSZ-KRWDZBQOSA-N -1 0 341.407 3.651 20 0 EHADRM C[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC001574289208 960671631 /nfs/dbraw/zinc/67/16/31/960671631.db2.gz DXFJPYMVSZRISA-LIRRHRJNSA-N -1 0 349.386 3.549 20 0 EHADRM C[C@H]1CC[C@@](C)(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)C1(C)C ZINC001574289740 960676840 /nfs/dbraw/zinc/67/68/40/960676840.db2.gz ROJMZIOTJFAZLL-OWZDWXTDSA-N -1 0 329.440 3.659 20 0 EHADRM Cc1noc(C)c1[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000236631042 960719852 /nfs/dbraw/zinc/71/98/52/960719852.db2.gz PFPLRXKDRSFINN-SNVBAGLBSA-N -1 0 346.383 3.519 20 0 EHADRM CCC(CC)(CNC(=O)N[C@H](c1ccc(F)cc1)C(C)C)C(=O)[O-] ZINC001573784024 960727054 /nfs/dbraw/zinc/72/70/54/960727054.db2.gz ZQIQXRISEWXRIH-HNNXBMFYSA-N -1 0 338.423 3.713 20 0 EHADRM CC(C)[C@@H](CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000236669185 960727744 /nfs/dbraw/zinc/72/77/44/960727744.db2.gz ZJXDPVOUEJBRTO-FUHWJXTLSA-N -1 0 331.456 3.920 20 0 EHADRM C/C(=C/C(=O)Nc1ccc(OCCC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000236674866 960730126 /nfs/dbraw/zinc/73/01/26/960730126.db2.gz ZZBSTYIXWNPISI-SEYXRHQNSA-N -1 0 343.354 3.721 20 0 EHADRM Cc1cc(NC(=O)c2cccc(OCC(C)C)c2)ccc1C(=O)[O-] ZINC000236697454 960733158 /nfs/dbraw/zinc/73/31/58/960733158.db2.gz YZHZOMPXAMNMDB-UHFFFAOYSA-N -1 0 327.380 3.980 20 0 EHADRM Cc1ccccc1[C@H]1CN([C@H](C(=O)[O-])c2ccccc2Cl)CCO1 ZINC001261516993 960742595 /nfs/dbraw/zinc/74/25/95/960742595.db2.gz GFDCGDCQJYRGEB-MSOLQXFVSA-N -1 0 345.826 3.848 20 0 EHADRM Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(C(=O)[O-])ccc2F)c1 ZINC000236730294 960743748 /nfs/dbraw/zinc/74/37/48/960743748.db2.gz UXDBPNWTPCHTBU-UHFFFAOYSA-N -1 0 345.370 3.973 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)NCc2cccc(C(=O)[O-])c2)c1 ZINC000236736507 960746253 /nfs/dbraw/zinc/74/62/53/960746253.db2.gz SIKZLQKTLFBVIW-UHFFFAOYSA-N -1 0 339.391 3.660 20 0 EHADRM CCC(CC)(CNC(=O)COc1cc(C)ccc1C(C)C)C(=O)[O-] ZINC000236841283 960772419 /nfs/dbraw/zinc/77/24/19/960772419.db2.gz MJGCUAXCYVOOJB-UHFFFAOYSA-N -1 0 335.444 3.504 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)CCCCc1nc2ccccc2s1 ZINC000236886866 960790076 /nfs/dbraw/zinc/79/00/76/960790076.db2.gz NIXCAPOOAJLSDN-ZDUSSCGKSA-N -1 0 348.468 3.721 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)CCc1ccc(-c2ccccc2F)o1 ZINC000236891836 960792152 /nfs/dbraw/zinc/79/21/52/960792152.db2.gz OSFAVOQWQGWXQN-ZDUSSCGKSA-N -1 0 347.386 3.730 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000236913611 960798091 /nfs/dbraw/zinc/79/80/91/960798091.db2.gz QTIOWYFAUHJLMO-NEPJUHHUSA-N -1 0 345.361 3.596 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cccc(Oc2ccccc2)c1 ZINC000236939968 960806820 /nfs/dbraw/zinc/80/68/20/960806820.db2.gz RCLINPRUYFVLIQ-AWEZNQCLSA-N -1 0 327.380 3.804 20 0 EHADRM CCC[C@@](C)(NC(=O)CCCCc1nc2ccccc2s1)C(=O)[O-] ZINC000236946317 960807196 /nfs/dbraw/zinc/80/71/96/960807196.db2.gz QVXFCBGFNWICMK-GOSISDBHSA-N -1 0 348.468 3.769 20 0 EHADRM Cc1nc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)sc1C(F)(F)F ZINC001574319479 960816322 /nfs/dbraw/zinc/81/63/22/960816322.db2.gz OXTAVORBXJWIIB-UHFFFAOYSA-N -1 0 344.314 3.729 20 0 EHADRM CCC[C@@](C)(NC(=O)c1ccc(COc2ccccc2)cc1)C(=O)[O-] ZINC000236977876 960820682 /nfs/dbraw/zinc/82/06/82/960820682.db2.gz KTEDCULPWLBKEZ-HXUWFJFHSA-N -1 0 341.407 3.639 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Oc2cnc3ccc(F)cc3c2)c1 ZINC001574319816 960822051 /nfs/dbraw/zinc/82/20/51/960822051.db2.gz XNWCZLABRKYWIE-UHFFFAOYSA-N -1 0 325.295 3.600 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cn(CC(C)C)c2ccccc12 ZINC000237040037 960850061 /nfs/dbraw/zinc/85/00/61/960850061.db2.gz IIXZKTQKBXZQCH-IBGZPJMESA-N -1 0 330.428 3.671 20 0 EHADRM CCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C(=O)[O-])o1 ZINC000237084971 960868433 /nfs/dbraw/zinc/86/84/33/960868433.db2.gz FSAQMTKNLHXGSP-UHFFFAOYSA-N -1 0 343.257 3.648 20 0 EHADRM CN(CC(=O)[O-])C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000237164925 960881514 /nfs/dbraw/zinc/88/15/14/960881514.db2.gz QSTLJUXJAGSPIB-UHFFFAOYSA-N -1 0 337.297 3.529 20 0 EHADRM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CC(C)(C)CC(=O)[O-] ZINC000237264100 960897539 /nfs/dbraw/zinc/89/75/39/960897539.db2.gz RMIONZZOKIZZTG-UHFFFAOYSA-N -1 0 331.334 3.555 20 0 EHADRM COc1cccc(/C(C)=C/C(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000237355759 960918175 /nfs/dbraw/zinc/91/81/75/960918175.db2.gz RNBUENGTAGNCGP-ZRDIBKRKSA-N -1 0 325.364 3.744 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(OCCC(=O)[O-])cc1)c1ccccc1 ZINC000237472759 960940943 /nfs/dbraw/zinc/94/09/43/960940943.db2.gz JDOGPFQZFFOESI-CQSZACIVSA-N -1 0 327.380 3.672 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccc(Cl)cc1Cl ZINC000237517472 960950385 /nfs/dbraw/zinc/95/03/85/960950385.db2.gz UHCJHAREDPHBKM-MRVPVSSYSA-N -1 0 339.178 3.578 20 0 EHADRM C[C@@H](CC(=O)N(C)CCCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000237520830 960952792 /nfs/dbraw/zinc/95/27/92/960952792.db2.gz VPMOHLUPZOKWAD-NSHDSACASA-N -1 0 331.334 3.522 20 0 EHADRM C[C@@H](CC(=O)N(C)CCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000237520861 960953266 /nfs/dbraw/zinc/95/32/66/960953266.db2.gz RIWRIFXBFHTIPF-NSHDSACASA-N -1 0 331.334 3.522 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N[C@@H]1CCCc2occc21)C(=O)[O-] ZINC000237561201 960963155 /nfs/dbraw/zinc/96/31/55/960963155.db2.gz AKRIORGXFCCJST-SMDDNHRTSA-N -1 0 345.420 3.652 20 0 EHADRM Cc1[nH]c2ccc(C(=O)Nc3cc(C(=O)[O-])ccc3F)cc2c1C ZINC000237727979 961010779 /nfs/dbraw/zinc/01/07/79/961010779.db2.gz AOEJQDSHVRWGTQ-UHFFFAOYSA-N -1 0 326.327 3.874 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H](C)c2cccc(C)c2)cc1 ZINC001324012268 961024049 /nfs/dbraw/zinc/02/40/49/961024049.db2.gz UKWUBYDOICXLLN-QAPCUYQASA-N -1 0 325.408 3.739 20 0 EHADRM Cc1cc(NC(=O)[C@H]2SCCc3sccc32)ccc1C(=O)[O-] ZINC000237822792 961029314 /nfs/dbraw/zinc/02/93/14/961029314.db2.gz NYHZYNZPBCUVGN-AWEZNQCLSA-N -1 0 333.434 3.724 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N2C[C@H]3CCCC[C@@]32c2ccccc2)c1 ZINC001324667037 961042308 /nfs/dbraw/zinc/04/23/08/961042308.db2.gz YYMWXYKSEAXVEO-DENIHFKCSA-N -1 0 349.430 3.855 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCCc2cc(Cl)cc(Cl)c2)cc1 ZINC000238044168 961085675 /nfs/dbraw/zinc/08/56/75/961085675.db2.gz NCKOMWQVHKWJOB-UHFFFAOYSA-N -1 0 338.190 3.664 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(OC(F)(F)F)c2)cc1 ZINC000238058535 961089183 /nfs/dbraw/zinc/08/91/83/961089183.db2.gz VGBHAMNVMFKCMT-UHFFFAOYSA-N -1 0 325.242 3.536 20 0 EHADRM CCCCCCOc1ccc(CC(=O)N2CCCC[C@H]2C(=O)[O-])cc1 ZINC001573843288 961099913 /nfs/dbraw/zinc/09/99/13/961099913.db2.gz YTXCTTUBSPIHGC-SFHVURJKSA-N -1 0 347.455 3.654 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])c(Cl)c2c1 ZINC001326535432 961104245 /nfs/dbraw/zinc/10/42/45/961104245.db2.gz SLGCMCUSQXDHQT-LBPRGKRZSA-N -1 0 336.819 3.749 20 0 EHADRM Cc1cccc(-c2ccc(CNC(=O)[C@H](C(=O)[O-])C(C)C)cc2)c1 ZINC001574383783 961125987 /nfs/dbraw/zinc/12/59/87/961125987.db2.gz LCRGWFXVYOHPOV-GOSISDBHSA-N -1 0 325.408 3.635 20 0 EHADRM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21 ZINC001588738114 961136433 /nfs/dbraw/zinc/13/64/33/961136433.db2.gz BGVPPQAZNAZQDD-FVQBIDKESA-N -1 0 329.440 3.739 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1ccccc1Oc1ccccc1 ZINC000238159022 961136941 /nfs/dbraw/zinc/13/69/41/961136941.db2.gz DLSJLUGMOLCDKB-UHFFFAOYSA-N -1 0 327.380 3.854 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)c1 ZINC000238213107 961163659 /nfs/dbraw/zinc/16/36/59/961163659.db2.gz FOADOFWQUZCPAC-UHFFFAOYSA-N -1 0 345.354 3.868 20 0 EHADRM O=C([O-])C1CCN(C(=O)Nc2ccc(SC(F)(F)F)cc2)CC1 ZINC001327480122 961164078 /nfs/dbraw/zinc/16/40/78/961164078.db2.gz JGTIZGDTNKFAIA-UHFFFAOYSA-N -1 0 348.346 3.627 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1C(=O)[O-] ZINC000249241661 961200734 /nfs/dbraw/zinc/20/07/34/961200734.db2.gz CYOICBXTCNMYDQ-SOUVJXGZSA-N -1 0 333.428 3.851 20 0 EHADRM CN(C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)C(C)(C)CC(=O)[O-] ZINC001328493424 961210201 /nfs/dbraw/zinc/21/02/01/961210201.db2.gz HJWRCGUFNPAQIA-CHWSQXEVSA-N -1 0 344.238 3.809 20 0 EHADRM Cc1ccccc1C1(C(=O)N2CCC[C@H](CC(=O)[O-])C2)CCCC1 ZINC001574401245 961230308 /nfs/dbraw/zinc/23/03/08/961230308.db2.gz BYTMQEJJSLHMGH-MRXNPFEDSA-N -1 0 329.440 3.520 20 0 EHADRM CN(C(=O)c1cccc(OCc2cccs2)c1)C(C)(C)CC(=O)[O-] ZINC001328911891 961233245 /nfs/dbraw/zinc/23/32/45/961233245.db2.gz AGRUYVQHVSGBPR-UHFFFAOYSA-N -1 0 347.436 3.652 20 0 EHADRM Cc1ccccc1Nc1scnc1C(=O)NCCCCCC(=O)[O-] ZINC001574404484 961257338 /nfs/dbraw/zinc/25/73/38/961257338.db2.gz PRSJOHRLPFJIEY-UHFFFAOYSA-N -1 0 347.440 3.570 20 0 EHADRM Cc1cnc(C(=O)Nc2scc(-c3ccsc3)c2C(=O)[O-])cn1 ZINC001574410565 961275396 /nfs/dbraw/zinc/27/53/96/961275396.db2.gz FWAHVGPZWAERCX-UHFFFAOYSA-N -1 0 345.405 3.526 20 0 EHADRM CCn1c(C(=O)N(CC(=O)[O-])C2CCCCC2)cc2ccccc21 ZINC001329769110 961308896 /nfs/dbraw/zinc/30/88/96/961308896.db2.gz XUYBNQZNLBIUIW-UHFFFAOYSA-N -1 0 328.412 3.521 20 0 EHADRM CN(C(=O)Cc1cc2c(ccc3ccccc23)o1)C(C)(C)CC(=O)[O-] ZINC001331336896 961373100 /nfs/dbraw/zinc/37/31/00/961373100.db2.gz GBPGLJMEMWEVCB-UHFFFAOYSA-N -1 0 339.391 3.840 20 0 EHADRM C[C@H]1CCc2c(C(=O)Nc3ccc(OCC(=O)[O-])cc3)csc2C1 ZINC000261735906 961390248 /nfs/dbraw/zinc/39/02/48/961390248.db2.gz SFYFBSUONFWSQC-NSHDSACASA-N -1 0 345.420 3.589 20 0 EHADRM CCc1oc2ccccc2c1C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC001332112691 961462784 /nfs/dbraw/zinc/46/27/84/961462784.db2.gz DTMDDTBZVHGCGZ-SFHVURJKSA-N -1 0 337.375 3.893 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@@H]2CCC[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC001332134089 961472274 /nfs/dbraw/zinc/47/22/74/961472274.db2.gz ZZBZYWSPRXRVOS-IAGOWNOFSA-N -1 0 341.407 3.829 20 0 EHADRM Cn1ccc(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1-c1ccccc1 ZINC001574457010 961522269 /nfs/dbraw/zinc/52/22/69/961522269.db2.gz ZLJUHGABCVPBCX-MRXNPFEDSA-N -1 0 342.439 3.701 20 0 EHADRM C[C@@H](CNC(=O)CCc1ccccc1C(=O)[O-])Sc1ccccc1 ZINC000262201536 961547827 /nfs/dbraw/zinc/54/78/27/961547827.db2.gz OPSWIAXIXIESMB-AWEZNQCLSA-N -1 0 343.448 3.614 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)OCc1cccc(SC(F)(F)F)c1 ZINC001588814117 961548655 /nfs/dbraw/zinc/54/86/55/961548655.db2.gz QKOKKXSEBRFXBR-NSHDSACASA-N -1 0 336.331 3.699 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccnc(Oc2ccccc2Cl)c1)C(=O)[O-] ZINC001573930958 961574784 /nfs/dbraw/zinc/57/47/84/961574784.db2.gz MUQTVRXCMRARLD-GFCCVEGCSA-N -1 0 349.774 3.512 20 0 EHADRM CC[C@H](NC(=O)N1CCC[C@@](CC)(C(=O)[O-])C1)c1ccc(F)cc1 ZINC001573942602 961616767 /nfs/dbraw/zinc/61/67/67/961616767.db2.gz AVOUNEACHVUHDC-MAUKXSAKSA-N -1 0 336.407 3.563 20 0 EHADRM O=C([O-])[C@@H](CC1CC1)NC(=O)CCCc1csc2ccccc12 ZINC000262282410 961617890 /nfs/dbraw/zinc/61/78/90/961617890.db2.gz YUYABQFVKAHYGN-OAHLLOKOSA-N -1 0 331.437 3.594 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)NC1(CC(=O)[O-])CCCC1 ZINC000262290837 961622991 /nfs/dbraw/zinc/62/29/91/961622991.db2.gz NFBRSQLVBZRMDD-NSHDSACASA-N -1 0 341.860 3.724 20 0 EHADRM CC(C)[C@H](CNC(=O)N1CC(C)(C)c2c1cccc2Cl)C(=O)[O-] ZINC001588821502 961627815 /nfs/dbraw/zinc/62/78/15/961627815.db2.gz JZQACTMSANUTHG-NSHDSACASA-N -1 0 338.835 3.504 20 0 EHADRM C[C@@H](CC(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccc(F)cc1 ZINC000262329832 961646871 /nfs/dbraw/zinc/64/68/71/961646871.db2.gz ASJZIACAHMUVBD-ZDUSSCGKSA-N -1 0 329.371 3.975 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC000262358299 961669045 /nfs/dbraw/zinc/66/90/45/961669045.db2.gz GHWJCANSLCRTDW-AWEZNQCLSA-N -1 0 341.407 3.845 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1F)C(C)(C)c1ccccc1 ZINC000262417640 961708290 /nfs/dbraw/zinc/70/82/90/961708290.db2.gz QBPCAOZNATYWAO-GFCCVEGCSA-N -1 0 329.371 3.620 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1 ZINC001333523105 961713487 /nfs/dbraw/zinc/71/34/87/961713487.db2.gz MRKSVQRGVUKRQB-HONMWMINSA-N -1 0 337.366 3.669 20 0 EHADRM CCn1c2ccc(C)cc2nc1NC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001573970364 961718881 /nfs/dbraw/zinc/71/88/81/961718881.db2.gz LRVQQIPRDNSJPV-UHFFFAOYSA-N -1 0 343.427 3.728 20 0 EHADRM Cc1oc(CN(C)C(=O)c2cc3c(s2)CCCCC3)cc1C(=O)[O-] ZINC000262437671 961720296 /nfs/dbraw/zinc/72/02/96/961720296.db2.gz FSAZDEJPHJKXIE-UHFFFAOYSA-N -1 0 347.436 3.889 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000262465567 961736281 /nfs/dbraw/zinc/73/62/81/961736281.db2.gz RIAISDBWYBMKFJ-HNNXBMFYSA-N -1 0 347.455 3.599 20 0 EHADRM CC(C)[C@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccccc1F ZINC001588833642 961736535 /nfs/dbraw/zinc/73/65/35/961736535.db2.gz MQLHCSKUSKAULJ-VMSUTVGLSA-N -1 0 331.343 3.644 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)Cc1cccc(OC(C)C)c1 ZINC000262550864 961767688 /nfs/dbraw/zinc/76/76/88/961767688.db2.gz SZEVXQHMLMJBSZ-UHFFFAOYSA-N -1 0 341.407 3.970 20 0 EHADRM CC(C)[C@@H]1CCc2nc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)sc2C1 ZINC001588840463 961789128 /nfs/dbraw/zinc/78/91/28/961789128.db2.gz HKNDBAKGEPYRGJ-ZWNOBZJWSA-N -1 0 338.473 3.589 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)[C@H]1C(C)C ZINC001588840467 961789193 /nfs/dbraw/zinc/78/91/93/961789193.db2.gz HQDNKZUCICQTPE-XDNAFOTISA-N -1 0 344.455 3.622 20 0 EHADRM CC(C)CCSCC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000262646496 961794376 /nfs/dbraw/zinc/79/43/76/961794376.db2.gz QZBLLGVJDMZZPA-UHFFFAOYSA-N -1 0 339.457 3.890 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000262717352 961823241 /nfs/dbraw/zinc/82/32/41/961823241.db2.gz DAJDTHUCKLHOHY-AZOIQLNYSA-N -1 0 335.419 3.544 20 0 EHADRM O=C(/C=C\c1ccc(C(=O)[O-])o1)Nc1cnccc1-c1ccccc1 ZINC001574513449 961823911 /nfs/dbraw/zinc/82/39/11/961823911.db2.gz IRHOBSCPDNQHBM-CLFYSBASSA-N -1 0 334.331 3.692 20 0 EHADRM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C1 ZINC000262741432 961841747 /nfs/dbraw/zinc/84/17/47/961841747.db2.gz WOHOXVIEYHKTEE-QAETUUGQSA-N -1 0 329.440 3.590 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)c1cc(-c2ccc(OC)cc2)c(C)s1 ZINC000262744765 961843537 /nfs/dbraw/zinc/84/35/37/961843537.db2.gz AJWPRVZAILMTHB-UHFFFAOYSA-N -1 0 347.436 3.669 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N[C@@H](CC1CCC1)c1ccccc1 ZINC000262827349 961891539 /nfs/dbraw/zinc/89/15/39/961891539.db2.gz AZPBZZZNSSDSRG-INIZCTEOSA-N -1 0 341.407 3.876 20 0 EHADRM Cc1ccc(-c2nc(C)c(C(=O)NC3(CC(=O)[O-])CCCC3)s2)o1 ZINC000262828088 961893843 /nfs/dbraw/zinc/89/38/43/961893843.db2.gz FQDVZCROIFZBOY-UHFFFAOYSA-N -1 0 348.424 3.537 20 0 EHADRM C[C@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC[C@H]1C(=O)[O-] ZINC000262829744 961895851 /nfs/dbraw/zinc/89/58/51/961895851.db2.gz CEBNPQYOQSZYIZ-XJKSGUPXSA-N -1 0 349.858 3.721 20 0 EHADRM O=C([O-])c1ccc(COC(=O)CO[C@H]2CCCc3ccccc32)cc1 ZINC001574531447 961898361 /nfs/dbraw/zinc/89/83/61/961898361.db2.gz JMJNWRMQSYIISU-SFHVURJKSA-N -1 0 340.375 3.522 20 0 EHADRM CN(CCC(=O)[O-])C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1 ZINC001574008115 961916105 /nfs/dbraw/zinc/91/61/05/961916105.db2.gz WTMLSTHITAZWJY-UHFFFAOYSA-N -1 0 332.331 3.556 20 0 EHADRM O=C([O-])C1(CNC(=O)c2[nH]c3ccccc3c2Cl)CCCCC1 ZINC000262854299 961919531 /nfs/dbraw/zinc/91/95/31/961919531.db2.gz UNGFOOUJPBNDEE-UHFFFAOYSA-N -1 0 334.803 3.586 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)O[C@@H](C1CCCC1)C(F)(F)F ZINC001574537634 961921877 /nfs/dbraw/zinc/92/18/77/961921877.db2.gz FKANXOCCDUAHFH-AWEZNQCLSA-N -1 0 330.302 3.592 20 0 EHADRM O=C([O-])C1(NC(=O)c2ccc(F)c(Cl)c2F)CCCCCC1 ZINC001574552797 961978808 /nfs/dbraw/zinc/97/88/08/961978808.db2.gz UVDDTFSIGLAEPE-UHFFFAOYSA-N -1 0 331.746 3.526 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1occc1CSc1ccccc1 ZINC000262923595 962006491 /nfs/dbraw/zinc/00/64/91/962006491.db2.gz FKXUSRCHTQTNIX-IUODEOHRSA-N -1 0 345.420 3.507 20 0 EHADRM CC(C)(CCNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)C(=O)[O-] ZINC000262963884 962050093 /nfs/dbraw/zinc/05/00/93/962050093.db2.gz JMFNVLBVPGENSB-UHFFFAOYSA-N -1 0 343.210 3.705 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC000262985535 962076713 /nfs/dbraw/zinc/07/67/13/962076713.db2.gz JVOCOUPKNHOGTO-CABCVRRESA-N -1 0 347.455 3.934 20 0 EHADRM Cc1oc(CNC(=O)CCCCc2ccc(C)cc2)cc1C(=O)[O-] ZINC000262988227 962079877 /nfs/dbraw/zinc/07/98/77/962079877.db2.gz OCRDGCKKYYGSCQ-UHFFFAOYSA-N -1 0 329.396 3.624 20 0 EHADRM CC[C@H](CC(=O)NCc1cc(C(=O)[O-])c(C)o1)c1ccc(C)cc1 ZINC000263001346 962095333 /nfs/dbraw/zinc/09/53/33/962095333.db2.gz PVRVOLWAMDDRQA-CQSZACIVSA-N -1 0 329.396 3.795 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H](C)CC2CCCCC2)cc1 ZINC001340565520 962103529 /nfs/dbraw/zinc/10/35/29/962103529.db2.gz ZBUPSEGYPGKEDO-KSSFIOAISA-N -1 0 347.455 3.934 20 0 EHADRM COC(=O)[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccc2ccccc2c1 ZINC001574046737 962118677 /nfs/dbraw/zinc/11/86/77/962118677.db2.gz MGDHXQDVUMSUQG-IBGZPJMESA-N -1 0 349.386 3.542 20 0 EHADRM CCc1sc(C(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)cc1C ZINC000263030652 962144622 /nfs/dbraw/zinc/14/46/22/962144622.db2.gz YVHOZGYXUWPFDM-GJZGRUSLSA-N -1 0 343.448 3.559 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)c(F)c1 ZINC001574599665 962153395 /nfs/dbraw/zinc/15/33/95/962153395.db2.gz HMSFROUDUCDCIA-MQMHXKEQSA-N -1 0 346.333 3.731 20 0 EHADRM O=C([O-])CCCNC(=O)N[C@H](CCc1ccccc1)c1ccccc1 ZINC000263041615 962166720 /nfs/dbraw/zinc/16/67/20/962166720.db2.gz QGJXVOJPQWUWAR-GOSISDBHSA-N -1 0 340.423 3.525 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C)CC(=O)[O-] ZINC001588890412 962201232 /nfs/dbraw/zinc/20/12/32/962201232.db2.gz GCXZNROAWZRKNF-BQFCYCMXSA-N -1 0 346.471 3.711 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1csc2c1CC[C@H](C)C2 ZINC000263074289 962216481 /nfs/dbraw/zinc/21/64/81/962216481.db2.gz YNPDDIQEJXVPEN-JTQLQIEISA-N -1 0 345.420 3.832 20 0 EHADRM CC[C@@](CNC(=O)c1ccccc1SC)(C(=O)[O-])c1ccccc1 ZINC000263090285 962238707 /nfs/dbraw/zinc/23/87/07/962238707.db2.gz VNLYIIAFYBDHSJ-IBGZPJMESA-N -1 0 343.448 3.571 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@H](OCC1CCCC1)c1ccccc1)C(=O)[O-] ZINC001588899134 962242601 /nfs/dbraw/zinc/24/26/01/962242601.db2.gz HTNQVSNAQOJYTP-ZWKOTPCHSA-N -1 0 347.455 3.550 20 0 EHADRM CC(C)(CCNC(=O)C1c2ccccc2Oc2ccccc21)C(=O)[O-] ZINC000263116562 962269693 /nfs/dbraw/zinc/26/96/93/962269693.db2.gz UZJIFBUWIIRSSL-UHFFFAOYSA-N -1 0 339.391 3.541 20 0 EHADRM C[C@@H](NC(=O)[C@H]1CCCC(C)(C)C1)c1ccc(OCC(=O)[O-])cc1 ZINC000263125483 962278952 /nfs/dbraw/zinc/27/89/52/962278952.db2.gz SMBSBPRMNLPHPP-HIFRSBDPSA-N -1 0 333.428 3.544 20 0 EHADRM CC(C)Cc1ccc([C@@H](NC(=O)N2CC[C@@H](C(=O)[O-])C2)C(C)C)cc1 ZINC001588906330 962280572 /nfs/dbraw/zinc/28/05/72/962280572.db2.gz ZFZYFWRVDPIBJO-MSOLQXFVSA-N -1 0 346.471 3.698 20 0 EHADRM O=C([O-])C1(C(=O)NCC2(c3ccccc3)CCCCCC2)CCC1 ZINC001574630433 962296660 /nfs/dbraw/zinc/29/66/60/962296660.db2.gz QJHLAEBGNNCWEW-UHFFFAOYSA-N -1 0 329.440 3.650 20 0 EHADRM Cc1ccc(OCC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c(C)c1 ZINC000263210763 962365960 /nfs/dbraw/zinc/36/59/60/962365960.db2.gz LKXWKMRXPZMNAX-CQSZACIVSA-N -1 0 327.380 3.509 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1F ZINC000263227822 962378237 /nfs/dbraw/zinc/37/82/37/962378237.db2.gz QFGBZHPDHNAWGI-UHFFFAOYSA-N -1 0 331.387 3.608 20 0 EHADRM CC1(C)[C@H](c2ccccc2)CCN1C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000263238189 962384235 /nfs/dbraw/zinc/38/42/35/962384235.db2.gz RHUAMTRGGHJPEV-ULQDDVLXSA-N -1 0 329.440 3.672 20 0 EHADRM C[C@H](CC(F)(F)F)C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC001347546267 962394490 /nfs/dbraw/zinc/39/44/90/962394490.db2.gz AZZCJOCPQGTBLK-LDYMZIIASA-N -1 0 337.725 3.561 20 0 EHADRM Cc1ccc(COc2cccc(NC(=O)CCCC(=O)[O-])c2)cc1 ZINC001349487106 962467522 /nfs/dbraw/zinc/46/75/22/962467522.db2.gz PSCFSMHOWKAQOK-UHFFFAOYSA-N -1 0 327.380 3.767 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc(C(F)F)c(F)c2)Cc2ccccc21 ZINC001574657848 962477015 /nfs/dbraw/zinc/47/70/15/962477015.db2.gz IVMBKMSPPMAYPC-CQSZACIVSA-N -1 0 349.308 3.588 20 0 EHADRM C[C@H]1CCN(C(=O)Cc2ccc(C(=O)[O-])cc2)[C@@H]1c1cccc(F)c1 ZINC000263333556 962481690 /nfs/dbraw/zinc/48/16/90/962481690.db2.gz MUJRTGFNRRKTLJ-DJJJIMSYSA-N -1 0 341.382 3.676 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@H](C)OC2CCCCCC2)c1 ZINC000263337323 962485164 /nfs/dbraw/zinc/48/51/64/962485164.db2.gz RBNDQWIFPQWGQX-KGLIPLIRSA-N -1 0 333.428 3.941 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)CCCOc2cccc(F)c2)cc1 ZINC000263347384 962499271 /nfs/dbraw/zinc/49/92/71/962499271.db2.gz UMTAPVMBRNICCD-ZDUSSCGKSA-N -1 0 345.370 3.812 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@@H](C)CCOc2ccccc2)c1 ZINC000263351482 962506257 /nfs/dbraw/zinc/50/62/57/962506257.db2.gz VRGRCVQOTRNSQI-LSDHHAIUSA-N -1 0 341.407 3.918 20 0 EHADRM CCCc1nc(C)c(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)s1 ZINC000263364109 962521127 /nfs/dbraw/zinc/52/11/27/962521127.db2.gz ZGWCLNGWTPKCBA-JTQLQIEISA-N -1 0 332.425 3.844 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)Nc2ccc(F)cc2-n2cccc2)co1 ZINC001574667162 962522623 /nfs/dbraw/zinc/52/26/23/962522623.db2.gz KFFZTDHJHKTNBR-XQRVVYSFSA-N -1 0 340.310 3.560 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000263364941 962524094 /nfs/dbraw/zinc/52/40/94/962524094.db2.gz ZMOKDCCYEUOISI-CXAGYDPISA-N -1 0 333.428 3.941 20 0 EHADRM CC[C@@H](C)NC(=O)c1ccc(NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000263378146 962535610 /nfs/dbraw/zinc/53/56/10/962535610.db2.gz BAFCWBPXPYOWDY-CYBMUJFWSA-N -1 0 326.396 3.525 20 0 EHADRM O=C([O-])CC1(C(=O)Nc2ncc(-c3ccccc3F)s2)CCC1 ZINC001574675678 962560514 /nfs/dbraw/zinc/56/05/14/962560514.db2.gz VGMLIFKEVQJVKL-UHFFFAOYSA-N -1 0 334.372 3.533 20 0 EHADRM Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)c3cccc(C(=O)[O-])c3)nc2c1 ZINC000263400877 962563914 /nfs/dbraw/zinc/56/39/14/962563914.db2.gz GMVQFUYSYVGPBT-KRWDZBQOSA-N -1 0 349.390 3.547 20 0 EHADRM Cc1ccc(NC2CCC(C(=O)[O-])CC2)cc1C(=O)N1CCCCC1 ZINC000263413549 962581283 /nfs/dbraw/zinc/58/12/83/962581283.db2.gz MHWFANGJUWPEGG-UHFFFAOYSA-N -1 0 344.455 3.676 20 0 EHADRM CC(C)[C@H](NC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2)C(=O)[O-] ZINC001588957978 962605594 /nfs/dbraw/zinc/60/55/94/962605594.db2.gz KNHJCKBWMPLWPS-DOMZBBRYSA-N -1 0 337.485 3.738 20 0 EHADRM CN(C(=O)NC1CCC(C(=O)[O-])CC1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000263499744 962683214 /nfs/dbraw/zinc/68/32/14/962683214.db2.gz VCNPPGSGCZXMBM-FOIPXRHGSA-N -1 0 344.455 3.608 20 0 EHADRM Cc1ccc(NC(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)cc1 ZINC000263512002 962693736 /nfs/dbraw/zinc/69/37/36/962693736.db2.gz YDOTTZNZOCHTSV-QGZVFWFLSA-N -1 0 326.396 3.593 20 0 EHADRM CC(C)c1ncsc1C(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC001588976057 962698538 /nfs/dbraw/zinc/69/85/38/962698538.db2.gz KUNHCWSHHCKCKI-UHFFFAOYSA-N -1 0 330.409 3.558 20 0 EHADRM CC(C)c1occc1C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000263517323 962698941 /nfs/dbraw/zinc/69/89/41/962698941.db2.gz FJCZKJVHWCPNBD-UHFFFAOYSA-N -1 0 345.395 3.577 20 0 EHADRM COc1ccc(Cl)cc1C(C)(C)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001574213153 962923486 /nfs/dbraw/zinc/92/34/86/962923486.db2.gz WGBKQXPBXKVEDT-UHFFFAOYSA-N -1 0 347.798 3.712 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)C1 ZINC000263381344 1125485076 /nfs/dbraw/zinc/48/50/76/1125485076.db2.gz XIPIYEIEVPWMSJ-NVYCXNAJSA-N -1 0 333.472 3.552 20 0 EHADRM C[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)c1ncc(C(=O)[O-])s1 ZINC000314658520 963785979 /nfs/dbraw/zinc/78/59/79/963785979.db2.gz NOVITKFDOSUNCL-SSDOTTSWSA-N -1 0 341.314 3.905 20 0 EHADRM C[C@H](Nc1ccc(C(F)(F)F)cc1C#N)c1ncc(C(=O)[O-])s1 ZINC000314700935 963794276 /nfs/dbraw/zinc/79/42/76/963794276.db2.gz VAJNNFMZRSBVKP-ZETCQYMHSA-N -1 0 341.314 3.905 20 0 EHADRM CN(C(=O)c1cc(Cl)ccc1Cl)C1(C(=O)[O-])CCCCC1 ZINC000314842532 963820552 /nfs/dbraw/zinc/82/05/52/963820552.db2.gz BVOXAPGSISEASS-UHFFFAOYSA-N -1 0 330.211 3.853 20 0 EHADRM CCOc1ccc(N[C@@H](C)c2ncc(C(=O)[O-])s2)cc1OCC ZINC000314925902 963830915 /nfs/dbraw/zinc/83/09/15/963830915.db2.gz IHDKGBFWIOTPIA-JTQLQIEISA-N -1 0 336.413 3.812 20 0 EHADRM O=C([O-])[C@@H]1CCCCCN1C(=O)CCSc1ccc(Cl)cc1 ZINC000315317745 963880461 /nfs/dbraw/zinc/88/04/61/963880461.db2.gz AOSMQTARDARXHG-AWEZNQCLSA-N -1 0 341.860 3.678 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H]1NC(=O)c1sc2cc(F)ccc2c1Cl ZINC000316035317 963968192 /nfs/dbraw/zinc/96/81/92/963968192.db2.gz CYDYQZAFXJCUAK-WPRPVWTQSA-N -1 0 341.791 3.677 20 0 EHADRM Cc1c(CNC(=O)c2cccc(C(=O)[O-])c2)oc2ccc(F)cc12 ZINC000237597706 967784778 /nfs/dbraw/zinc/78/47/78/967784778.db2.gz VYOVEOWNSWLAIM-UHFFFAOYSA-N -1 0 327.311 3.509 20 0 EHADRM CCc1cc(C)cc(CC)c1NC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263066777 967843007 /nfs/dbraw/zinc/84/30/07/967843007.db2.gz GGTYZKZJOYJGOL-BBRMVZONSA-N -1 0 332.444 3.694 20 0 EHADRM Cc1cccc(Oc2ccccc2C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000263199532 967861569 /nfs/dbraw/zinc/86/15/69/967861569.db2.gz UWUAGECXSILQPB-OAHLLOKOSA-N -1 0 339.391 3.724 20 0 EHADRM CC[C@H](NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000263377324 967882918 /nfs/dbraw/zinc/88/29/18/967882918.db2.gz WSUUOUGZKVSFKF-ZLDLUXBVSA-N -1 0 338.835 3.543 20 0 EHADRM CC(C)(C)c1csc(NC(=O)N2CCC(CCC(=O)[O-])CC2)n1 ZINC000321429248 968013401 /nfs/dbraw/zinc/01/34/01/968013401.db2.gz LJSPLTWDHPTCKX-UHFFFAOYSA-N -1 0 339.461 3.549 20 0 EHADRM Cc1cccc(CSCC(=O)NC2(CC(=O)[O-])CCCCC2)c1 ZINC000321914093 968015394 /nfs/dbraw/zinc/01/53/94/968015394.db2.gz ZRAQHCXOFWLJOO-UHFFFAOYSA-N -1 0 335.469 3.522 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N1CC2(CCC2)[C@@H]1c1ccccc1)C(=O)[O-] ZINC000424422899 968365583 /nfs/dbraw/zinc/36/55/83/968365583.db2.gz NIZHGZGWDWDRIB-IRXDYDNUSA-N -1 0 344.455 3.670 20 0 EHADRM CCCOc1cc(C)ccc1NC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000518735483 968392087 /nfs/dbraw/zinc/39/20/87/968392087.db2.gz COGXUMXWLPFKMA-CQSZACIVSA-N -1 0 334.416 3.502 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000653315571 968655798 /nfs/dbraw/zinc/65/57/98/968655798.db2.gz IOUDJVKPVUWDTA-ZWNOBZJWSA-N -1 0 333.771 3.678 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000653341451 968666910 /nfs/dbraw/zinc/66/69/10/968666910.db2.gz FABJNPZUCMQQMF-GWCFXTLKSA-N -1 0 331.334 3.521 20 0 EHADRM CC(C)[C@H](CNC(=O)Nc1ccccc1N(C)C1CCCC1)C(=O)[O-] ZINC000653540669 968673666 /nfs/dbraw/zinc/67/36/66/968673666.db2.gz PNDKLGVAIPQUMQ-HNNXBMFYSA-N -1 0 347.459 3.544 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)N2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000666566493 968846422 /nfs/dbraw/zinc/84/64/22/968846422.db2.gz PTLOTEVPQHFGJV-QGZVFWFLSA-N -1 0 342.370 3.571 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Nc1ccc2scnc2c1 ZINC000899312365 969418950 /nfs/dbraw/zinc/41/89/50/969418950.db2.gz ZFMLDZBPBFMESI-LBPRGKRZSA-N -1 0 333.413 3.548 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)N2CCCCC[C@@H]2c2ccncc2)co1 ZINC000901567413 969440116 /nfs/dbraw/zinc/44/01/16/969440116.db2.gz QRQAVCMNZKOVNL-KEGWNNHHSA-N -1 0 340.379 3.530 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(SC(F)F)cc2)CCSCC1 ZINC000901579987 969443298 /nfs/dbraw/zinc/44/32/98/969443298.db2.gz XHDUMQVWJQCBGD-UHFFFAOYSA-N -1 0 347.408 3.538 20 0 EHADRM CC(C)(c1csc(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])n1)c1ccccc1 ZINC000902262938 969530312 /nfs/dbraw/zinc/53/03/12/969530312.db2.gz OVNKVOLQCAYRMZ-CHWSQXEVSA-N -1 0 344.436 3.518 20 0 EHADRM Cc1cc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])c2ccc(F)cc2n1 ZINC001261253312 969688020 /nfs/dbraw/zinc/68/80/20/969688020.db2.gz YGIIXVCNOMWHPN-AWEZNQCLSA-N -1 0 344.386 3.542 20 0 EHADRM Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H](C(=O)[O-])C2)n1 ZINC001327455502 969706427 /nfs/dbraw/zinc/70/64/27/969706427.db2.gz MRWOWGMYWKTVIV-CYBMUJFWSA-N -1 0 339.420 3.578 20 0 EHADRM CC(C)CN(C(=O)c1cc(F)cc(Br)c1[O-])C1CC1 ZINC000436999390 1021450251 /nfs/dbraw/zinc/45/02/51/1021450251.db2.gz LGHYCQVPVZEQDV-UHFFFAOYSA-N -1 0 330.197 3.554 20 0 EHADRM Cc1cc(C)c2cc(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)sc2n1 ZINC001526721690 969792696 /nfs/dbraw/zinc/79/26/96/969792696.db2.gz OCFBVUXARTYHTL-ZDUSSCGKSA-N -1 0 346.452 3.630 20 0 EHADRM CCCc1sc(C(=O)N[C@H](C(=O)[O-])c2cccs2)cc1CC ZINC000317193538 970337303 /nfs/dbraw/zinc/33/73/03/970337303.db2.gz KMDCPUDMJUCYRM-AWEZNQCLSA-N -1 0 337.466 3.880 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)CSCc1ccc(F)cc1 ZINC000317999543 970403202 /nfs/dbraw/zinc/40/32/02/970403202.db2.gz ZLWMQHCIJGLLGN-UHFFFAOYSA-N -1 0 339.413 3.766 20 0 EHADRM O=C([O-])CCc1cccc(NCc2cncn2Cc2ccccc2)c1 ZINC001608740399 970412408 /nfs/dbraw/zinc/41/24/08/970412408.db2.gz WAFRKROWXLBICT-UHFFFAOYSA-N -1 0 335.407 3.561 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1sc2ccccc2c1Cl ZINC000318608452 970453151 /nfs/dbraw/zinc/45/31/51/970453151.db2.gz SGBDGYBPFUPLRV-NXEZZACHSA-N -1 0 337.828 3.880 20 0 EHADRM COc1cc(NC(=O)/C=C/c2ccc(Cl)s2)ccc1C(=O)[O-] ZINC000318973550 970493417 /nfs/dbraw/zinc/49/34/17/970493417.db2.gz ZLIJSCWINJZQAV-QPJJXVBHSA-N -1 0 337.784 3.760 20 0 EHADRM COc1ccc(C)cc1CC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000320072122 970610318 /nfs/dbraw/zinc/61/03/18/970610318.db2.gz UVEOPAKKQIFTFR-UHFFFAOYSA-N -1 0 333.409 3.561 20 0 EHADRM C[C@H](SCC(=O)[O-])c1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC001610003171 970635156 /nfs/dbraw/zinc/63/51/56/970635156.db2.gz CKFAJJWHSJKDQR-VIFPVBQESA-N -1 0 346.433 3.943 20 0 EHADRM Cc1csc(C(=O)N2CCc3c(cccc3C(=O)[O-])C2)c1Cl ZINC000320365612 970654482 /nfs/dbraw/zinc/65/44/82/970654482.db2.gz YKRWNVJKCWDDCU-UHFFFAOYSA-N -1 0 335.812 3.607 20 0 EHADRM C[C@@H]1CCCC[C@H]1CNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000320516537 970672717 /nfs/dbraw/zinc/67/27/17/970672717.db2.gz LMYICNWELMNKHK-ZJUUUORDSA-N -1 0 326.343 3.611 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)c1cc(F)ccc1Cl ZINC000320602273 970683392 /nfs/dbraw/zinc/68/33/92/970683392.db2.gz BXWXUNHOSLNZEX-AWEZNQCLSA-N -1 0 327.783 3.633 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)[C@H](C)Oc2cccc(C)c2)s1 ZINC000320916637 970729324 /nfs/dbraw/zinc/72/93/24/970729324.db2.gz WRSNTBNYRBJUOG-NSHDSACASA-N -1 0 333.409 3.723 20 0 EHADRM CSc1ccc(NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000321205829 970751324 /nfs/dbraw/zinc/75/13/24/970751324.db2.gz YMMNMRXYMZKIQJ-UHFFFAOYSA-N -1 0 330.409 3.771 20 0 EHADRM CSc1cc(NC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])ccc1C ZINC001604962906 972548735 /nfs/dbraw/zinc/54/87/35/972548735.db2.gz JIKINDOOCYUTTM-OAHLLOKOSA-N -1 0 344.436 3.534 20 0 EHADRM COc1cc(NC(=O)NCC[C@H](C)c2ccccc2)ccc1C(=O)[O-] ZINC000393026470 972556713 /nfs/dbraw/zinc/55/67/13/972556713.db2.gz GAWICJIVTWVGMP-ZDUSSCGKSA-N -1 0 342.395 3.709 20 0 EHADRM CCc1ccc(NC(=O)N2CCc3c(cccc3C(=O)[O-])C2)cc1C ZINC000393047009 972559212 /nfs/dbraw/zinc/55/92/12/972559212.db2.gz YVRIWMKXGNSIFT-UHFFFAOYSA-N -1 0 338.407 3.846 20 0 EHADRM Cc1ccc(OCCC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)c(C)c1 ZINC000393054740 972559381 /nfs/dbraw/zinc/55/93/81/972559381.db2.gz LWCSCYGJEAYQEP-UHFFFAOYSA-N -1 0 349.333 3.687 20 0 EHADRM O=C([O-])c1csc(COc2cc(Cl)c(Cl)cc2[N+](=O)[O-])n1 ZINC000393210229 972571208 /nfs/dbraw/zinc/57/12/08/972571208.db2.gz LDTNMBGHCWOPRN-UHFFFAOYSA-N -1 0 349.151 3.635 20 0 EHADRM CC1(C)CC[C@@H](C(=O)Nc2cc(C(=O)[O-])n[nH]2)[C@@H](c2ccccc2)C1 ZINC001603327098 972672711 /nfs/dbraw/zinc/67/27/11/972672711.db2.gz GDFVAFRKUABXKA-ZIAGYGMSSA-N -1 0 341.411 3.657 20 0 EHADRM CC1(C)CC[C@@H](CN2C[C@@H](CCC(=O)[O-])Cc3ccccc32)OC1 ZINC001603327226 972674632 /nfs/dbraw/zinc/67/46/32/972674632.db2.gz IXCMLRHZZXYSRR-RDJZCZTQSA-N -1 0 331.456 3.735 20 0 EHADRM CC1(C)CCC[C@@H]1[C@H]1CCN(C(=O)c2coc(/C=C\C(=O)[O-])c2)C1 ZINC001603329078 972687285 /nfs/dbraw/zinc/68/72/85/972687285.db2.gz XWDJCQYUHRRJEW-PCXLQKCLSA-N -1 0 331.412 3.666 20 0 EHADRM C[C@]1(CCc2ccccc2)CCN(C(=O)[C@]2(C(=O)[O-])CC=CCC2)C1 ZINC001603339437 972720437 /nfs/dbraw/zinc/72/04/37/972720437.db2.gz CRUIYFLXUBADCP-SFTDATJTSA-N -1 0 341.451 3.669 20 0 EHADRM O=C([O-])[C@]1(C(=O)N2CCC(=Cc3cccc(F)c3)CC2)CC=CCC1 ZINC001605909509 972763167 /nfs/dbraw/zinc/76/31/67/972763167.db2.gz XDKDOBHKLLRYCF-HXUWFJFHSA-N -1 0 343.398 3.643 20 0 EHADRM Cc1cc(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)c2nccc(C)c2c1 ZINC001605120699 972780088 /nfs/dbraw/zinc/78/00/88/972780088.db2.gz NJIQTEHQPMSNDD-HNNXBMFYSA-N -1 0 342.439 3.718 20 0 EHADRM C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001603354403 972788913 /nfs/dbraw/zinc/78/89/13/972788913.db2.gz IMWQHEUFYKRGAN-GXFFZTMASA-N -1 0 344.333 3.508 20 0 EHADRM Cc1ccc(NCCC(C)(C)C(=O)[O-])cc1I ZINC000395577457 972805473 /nfs/dbraw/zinc/80/54/73/972805473.db2.gz SCDJQJMOZGTNCI-UHFFFAOYSA-N -1 0 347.196 3.512 20 0 EHADRM Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)N(C)CCCC(=O)[O-] ZINC001605141494 972820534 /nfs/dbraw/zinc/82/05/34/972820534.db2.gz ZODNKSNTJVHJBQ-UHFFFAOYSA-N -1 0 348.487 3.650 20 0 EHADRM Cc1cc(F)c(CNC(=O)Nc2cccc(CCC(=O)[O-])c2)c(F)c1 ZINC001605180446 972900262 /nfs/dbraw/zinc/90/02/62/972900262.db2.gz ZTRRPBJZXLQKLF-UHFFFAOYSA-N -1 0 348.349 3.612 20 0 EHADRM C[C@H]1C[C@@H](CC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC(C)(C)C1 ZINC001603375817 972929171 /nfs/dbraw/zinc/92/91/71/972929171.db2.gz HPUCGCADFCVTDV-XIRDDKMYSA-N -1 0 331.456 3.651 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCCc1ccc2c(c1)CCCC2 ZINC001603379973 972944498 /nfs/dbraw/zinc/94/44/98/972944498.db2.gz AZQZVXIXOXYSJX-DNVCBOLYSA-N -1 0 343.467 3.600 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1ccc(COC(C)(C)C)cc1 ZINC001603381233 972959101 /nfs/dbraw/zinc/95/91/01/972959101.db2.gz PFNVBMOLYGJXFJ-HIFRSBDPSA-N -1 0 348.443 3.719 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001605223909 972972305 /nfs/dbraw/zinc/97/23/05/972972305.db2.gz KBRLKZWIBAYXTL-XVWMLYKFSA-N -1 0 343.379 3.722 20 0 EHADRM Cc1ccc(-c2cnc(NC(=O)N(C)C[C@@H](C)C(=O)[O-])s2)c(C)c1 ZINC001605231945 972983471 /nfs/dbraw/zinc/98/34/71/972983471.db2.gz SBELRNDCKRRHMK-GFCCVEGCSA-N -1 0 347.440 3.611 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1cccc(SC(F)F)c1 ZINC001603388118 972987907 /nfs/dbraw/zinc/98/79/07/972987907.db2.gz FMXHYTOEEHEBEH-ZJUUUORDSA-N -1 0 344.383 3.718 20 0 EHADRM Cc1ccc(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c2ncccc12 ZINC001605249836 973012770 /nfs/dbraw/zinc/01/27/70/973012770.db2.gz FQPPASOXAMBTIS-ZWKOTPCHSA-N -1 0 346.386 3.586 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001603392853 973021350 /nfs/dbraw/zinc/02/13/50/973021350.db2.gz WPKJAJODHZWIDF-QGPMSJSTSA-N -1 0 347.455 3.588 20 0 EHADRM C[C@H]1CCCC[C@H]1CC(=O)Nc1sc2c(c1C(=O)[O-])COCC2 ZINC001603399496 973047410 /nfs/dbraw/zinc/04/74/10/973047410.db2.gz IYRHJQMXDAWBJO-QWRGUYRKSA-N -1 0 337.441 3.674 20 0 EHADRM C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001603416406 973114486 /nfs/dbraw/zinc/11/44/86/973114486.db2.gz OTMSBZFSIXKEIQ-PXAZEXFGSA-N -1 0 339.395 3.615 20 0 EHADRM Cc1ccc(Oc2cccc(NC(=O)N[C@H](C)C(=O)[O-])c2)c(C)c1 ZINC001605303541 973120706 /nfs/dbraw/zinc/12/07/06/973120706.db2.gz ZQNOGCAZSAWJLT-CYBMUJFWSA-N -1 0 328.368 3.690 20 0 EHADRM Cc1ccc2cc(C(=O)N[C@@H]3C[C@@H](C(=O)[O-])c4ccccc43)[nH]c2c1 ZINC001605314475 973139912 /nfs/dbraw/zinc/13/99/12/973139912.db2.gz PCIMADAZHDPLPL-NVXWUHKLSA-N -1 0 334.375 3.519 20 0 EHADRM Cc1cccc([C@H](NCc2cc(Br)cs2)C(=O)[O-])c1 ZINC001605328519 973184778 /nfs/dbraw/zinc/18/47/78/973184778.db2.gz BFAULUJXBRANIB-ZDUSSCGKSA-N -1 0 340.242 3.735 20 0 EHADRM Cc1cccc([C@@H](NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)C(=O)[O-])c1 ZINC001605328842 973189698 /nfs/dbraw/zinc/18/96/98/973189698.db2.gz RGHJNMBVQFQIRP-FGTMMUONSA-N -1 0 337.419 3.677 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)O[C@@H](C2CCCC2)C(F)(F)F)co1 ZINC001606063508 973190744 /nfs/dbraw/zinc/19/07/44/973190744.db2.gz BJTIIPKOUJLPJD-SZZPACECSA-N -1 0 332.274 3.655 20 0 EHADRM Cc1cccc([C@H](NC(=O)C2(Sc3ccccc3)CC2)C(=O)[O-])c1 ZINC001605329142 973194122 /nfs/dbraw/zinc/19/41/22/973194122.db2.gz UBRNTAAORMXCGK-INIZCTEOSA-N -1 0 341.432 3.562 20 0 EHADRM Cc1cccc([C@H](NC(=O)Nc2ccnc(C(=O)[O-])c2)C(C)C)c1 ZINC001605329233 973195933 /nfs/dbraw/zinc/19/59/33/973195933.db2.gz VQYUSJHEEITPON-MRXNPFEDSA-N -1 0 327.384 3.607 20 0 EHADRM C[C@H]1CCc2c(sc(NC(=O)CCc3cccnc3)c2C(=O)[O-])C1 ZINC001603434179 973197145 /nfs/dbraw/zinc/19/71/45/973197145.db2.gz MOWRUKNACLQWND-NSHDSACASA-N -1 0 344.436 3.537 20 0 EHADRM CCc1ocnc1C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000342461595 1025655226 /nfs/dbraw/zinc/65/52/26/1025655226.db2.gz LGKJIGJQOZYQJO-UHFFFAOYSA-N -1 0 345.580 3.611 20 0 EHADRM C[C@@H](SCC(=O)[O-])C(=O)Nc1ccccc1Oc1ccccc1 ZINC001604448175 973271383 /nfs/dbraw/zinc/27/13/83/973271383.db2.gz CWGOLRVUUPIALK-GFCCVEGCSA-N -1 0 331.393 3.624 20 0 EHADRM CC(C)=CCC[C@@H](C)CC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000400803089 973315989 /nfs/dbraw/zinc/31/59/89/973315989.db2.gz ZXECKQNWMVRFRA-QAPCUYQASA-N -1 0 329.440 3.970 20 0 EHADRM CO[C@](C)(C(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC001604463627 973324612 /nfs/dbraw/zinc/32/46/12/973324612.db2.gz FGXIQDCPOMCNSH-KRWDZBQOSA-N -1 0 349.770 3.561 20 0 EHADRM Cc1csc(C(=O)N2C[C@@H](CCC(=O)[O-])Cc3ccccc32)c1 ZINC001605381383 973344023 /nfs/dbraw/zinc/34/40/23/973344023.db2.gz NSRCRTJCBBUVBU-ZDUSSCGKSA-N -1 0 329.421 3.740 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cc(-c2ccccc2)ccn1 ZINC001606118833 973358974 /nfs/dbraw/zinc/35/89/74/973358974.db2.gz SWLVWYQFIJXJSN-QGZVFWFLSA-N -1 0 338.407 3.608 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1 ZINC001606123247 973365035 /nfs/dbraw/zinc/36/50/35/973365035.db2.gz WQMXROMRECUESO-LUKYLMHMSA-N -1 0 336.476 3.632 20 0 EHADRM Cc1ncsc1CCN1C[C@@H](CCC(=O)[O-])Cc2ccccc21 ZINC001605428881 973465357 /nfs/dbraw/zinc/46/53/57/973465357.db2.gz MNCBIQJMGTYGBC-AWEZNQCLSA-N -1 0 330.453 3.538 20 0 EHADRM CCC(C)(C)c1ccc(CNC(=O)NC[C@H](C(=O)[O-])C(C)C)cc1 ZINC001603509112 973497901 /nfs/dbraw/zinc/49/79/01/973497901.db2.gz ZVBKWLXGSSZRQK-INIZCTEOSA-N -1 0 334.460 3.530 20 0 EHADRM Cc1sc(C2(N[C@@H](C)C(=O)[O-])CCC2)nc1-c1ccccc1F ZINC001605460993 973556810 /nfs/dbraw/zinc/55/68/10/973556810.db2.gz JACUWNAJXURFSP-JTQLQIEISA-N -1 0 334.416 3.700 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)N[C@H]1CCCc2sccc21 ZINC000403003437 973657534 /nfs/dbraw/zinc/65/75/34/973657534.db2.gz VATDJDWVWNSVTB-AWEZNQCLSA-N -1 0 338.473 3.850 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N2CCc3cc(Cl)ccc3C2)c1 ZINC001606311608 973725136 /nfs/dbraw/zinc/72/51/36/973725136.db2.gz XPLHSTCERJGJCD-UHFFFAOYSA-N -1 0 344.798 3.557 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@H](C)C(C)(C)c2ccccc2)C1 ZINC001603601925 973861751 /nfs/dbraw/zinc/86/17/51/973861751.db2.gz WEAZLMAHMYLFJK-FOIQADDNSA-N -1 0 346.471 3.639 20 0 EHADRM CC[C@]1(CCc2ccccc2)CCCN1C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001603612032 973893617 /nfs/dbraw/zinc/89/36/17/973893617.db2.gz VNRXFGPLSXYJLD-SQGPQFPESA-N -1 0 329.440 3.501 20 0 EHADRM COc1cc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc(OC)c1C(C)C ZINC001604721735 973926797 /nfs/dbraw/zinc/92/67/97/973926797.db2.gz JFXUHSTWMONRSV-HNNXBMFYSA-N -1 0 337.416 3.513 20 0 EHADRM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)NCCCCCC(=O)[O-] ZINC000414627435 973944117 /nfs/dbraw/zinc/94/41/17/973944117.db2.gz LPZLOTYLERZXGM-OAHLLOKOSA-N -1 0 340.851 3.605 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)NCCCCCC(=O)[O-])ccc2o1 ZINC000417747087 973966694 /nfs/dbraw/zinc/96/66/94/973966694.db2.gz GWRPBOMBHBBBIJ-UHFFFAOYSA-N -1 0 347.415 3.892 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1ccccc1N1CCCCCC1 ZINC000417735518 973967428 /nfs/dbraw/zinc/96/74/28/973967428.db2.gz TXPUWIUGVVIUDS-UHFFFAOYSA-N -1 0 347.459 3.834 20 0 EHADRM CCC[C@@H]1CCC[C@@H]1C(=O)Nc1sc2c(c1C(=O)[O-])COCC2 ZINC001603635313 973968384 /nfs/dbraw/zinc/96/83/84/973968384.db2.gz AUSGVNMKOPJEIV-MNOVXSKESA-N -1 0 337.441 3.674 20 0 EHADRM Cc1c(NC(=O)NCCCCCC(=O)[O-])cccc1C(F)(F)F ZINC000417756105 973968720 /nfs/dbraw/zinc/96/87/20/973968720.db2.gz DFTWRNZENIFLOG-UHFFFAOYSA-N -1 0 332.322 3.780 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)CC[C@@H]1CC1(Cl)Cl ZINC001606502074 973990151 /nfs/dbraw/zinc/99/01/51/973990151.db2.gz BTHGIULRLPCYQW-GFCCVEGCSA-N -1 0 342.222 3.638 20 0 EHADRM CCCCC1CCC(CNC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)CC1 ZINC001603641405 973990741 /nfs/dbraw/zinc/99/07/41/973990741.db2.gz MZTGNVIDGDRKTP-ZGRYLRDCSA-N -1 0 338.492 3.735 20 0 EHADRM CCC(CC)(CNC(=O)N1CC2(CCC2)[C@@H]1c1ccccc1)C(=O)[O-] ZINC000424433751 974033297 /nfs/dbraw/zinc/03/32/97/974033297.db2.gz SKWIRGMTQBPRFZ-INIZCTEOSA-N -1 0 344.455 3.814 20 0 EHADRM COc1cc(Cl)c(C[NH2+]Cc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000426690832 974044703 /nfs/dbraw/zinc/04/47/03/974044703.db2.gz CTLCOUJPLOIQPT-UHFFFAOYSA-N -1 0 340.206 3.990 20 0 EHADRM O=C([O-])[C@@H](NCc1csc(-c2cccs2)n1)c1cccs1 ZINC000426821680 974049364 /nfs/dbraw/zinc/04/93/64/974049364.db2.gz VXUJCGZELIUNPT-LBPRGKRZSA-N -1 0 336.463 3.849 20 0 EHADRM O=C([O-])CC1(CC(=O)NC[C@H]2CCCCC(F)(F)C2)CCCC1 ZINC000427477971 974053388 /nfs/dbraw/zinc/05/33/88/974053388.db2.gz DAIWASRHAJHWNQ-ZDUSSCGKSA-N -1 0 331.403 3.743 20 0 EHADRM COCc1cc(NC(=O)c2cc(Cl)ccc2F)cc(C(=O)[O-])c1 ZINC000427699404 974054984 /nfs/dbraw/zinc/05/49/84/974054984.db2.gz URFXJQUDQVLFRG-UHFFFAOYSA-N -1 0 337.734 3.576 20 0 EHADRM COCc1cc(NC(=O)C/C=C\c2ccc(F)cc2)cc(C(=O)[O-])c1 ZINC000427708355 974056570 /nfs/dbraw/zinc/05/65/70/974056570.db2.gz YDTZIOCCUWHSBI-IHWYPQMZSA-N -1 0 343.354 3.712 20 0 EHADRM COCc1cc(NC(=O)c2ccc(Cl)c(F)c2)cc(C(=O)[O-])c1 ZINC000427706208 974056709 /nfs/dbraw/zinc/05/67/09/974056709.db2.gz SBMQCTZABXPYSC-UHFFFAOYSA-N -1 0 337.734 3.576 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)OCc2ccc(OCC3CC3)cc2)o1 ZINC001605667652 974067162 /nfs/dbraw/zinc/06/71/62/974067162.db2.gz HCEOLSOYXGIYBI-NTMALXAHSA-N -1 0 342.347 3.523 20 0 EHADRM O=C([O-])c1cc(NC(=O)/C=C\c2ccsc2C(F)(F)F)ccn1 ZINC001605668051 974068326 /nfs/dbraw/zinc/06/83/26/974068326.db2.gz MKHRVZLOVLHBPR-UPHRSURJSA-N -1 0 342.298 3.512 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)Oc2cccc(C(F)(F)F)c2)o1 ZINC001605668381 974071221 /nfs/dbraw/zinc/07/12/21/974071221.db2.gz RJGOJHLVQYYPSE-ALCCZGGFSA-N -1 0 326.226 3.615 20 0 EHADRM CCCc1ccc([C@H](NC(=O)N(C)C[C@@H](C)C(=O)[O-])C(C)C)cc1 ZINC001603691766 974079160 /nfs/dbraw/zinc/07/91/60/974079160.db2.gz HKUWXAUGGFSNMN-RHSMWYFYSA-N -1 0 334.460 3.698 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000432007309 974083969 /nfs/dbraw/zinc/08/39/69/974083969.db2.gz MRCCQIGAJFJXDF-UHFFFAOYSA-N -1 0 336.347 3.508 20 0 EHADRM CCCSCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001603692070 974084144 /nfs/dbraw/zinc/08/41/44/974084144.db2.gz HDEDWIBSCVBULP-SECBINFHSA-N -1 0 327.471 3.653 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])cc1 ZINC000432090386 974085050 /nfs/dbraw/zinc/08/50/50/974085050.db2.gz RHXAKCSYYSSQBT-KXBFYZLASA-N -1 0 333.428 3.627 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC2(Cc3ccccc3)CCCC2)c(F)c1 ZINC000432094369 974085407 /nfs/dbraw/zinc/08/54/07/974085407.db2.gz GOQYWXDBIXWYCM-UHFFFAOYSA-N -1 0 341.382 3.809 20 0 EHADRM C[C@@]1(NC(=O)c2cc(Cl)cc(Cl)c2)CCCC[C@@H]1C(=O)[O-] ZINC000432102402 974086948 /nfs/dbraw/zinc/08/69/48/974086948.db2.gz JWPBVUFGYRHFDO-IUODEOHRSA-N -1 0 330.211 3.757 20 0 EHADRM CC(C)(CCC(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-])c1ccccc1 ZINC000432112930 974087703 /nfs/dbraw/zinc/08/77/03/974087703.db2.gz DRMQDFSTQKPQLX-OXJNMPFZSA-N -1 0 331.456 3.894 20 0 EHADRM CC(C)Sc1ccc(C(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])cc1 ZINC000432114861 974088980 /nfs/dbraw/zinc/08/89/80/974088980.db2.gz LMEARQPLRGKQRH-YJBOKZPZSA-N -1 0 335.469 3.950 20 0 EHADRM COc1ccc2cc(C(=O)Nc3ccc(C(=O)[O-])c(C)c3)cnc2c1 ZINC001604851530 974092783 /nfs/dbraw/zinc/09/27/83/974092783.db2.gz RDHWPKHYAQEPTP-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM COc1cccc([C@@H](C)CCCC(=O)N2CCC[C@H](CC(=O)[O-])C2)c1 ZINC001604857323 974101874 /nfs/dbraw/zinc/10/18/74/974101874.db2.gz UIUCSWXVQJUAHW-JKSUJKDBSA-N -1 0 347.455 3.682 20 0 EHADRM C[C@@H](NC(=O)CCc1ccccc1C(=O)[O-])c1cccc(Cl)c1 ZINC000439796181 974109692 /nfs/dbraw/zinc/10/96/92/974109692.db2.gz XILJDQFEOFIQHE-GFCCVEGCSA-N -1 0 331.799 3.848 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cccc(Nc2ccccc2)c1 ZINC000442755576 974120011 /nfs/dbraw/zinc/12/00/11/974120011.db2.gz YYDJQIAONTYTEI-AWEZNQCLSA-N -1 0 326.396 3.756 20 0 EHADRM CCN(C(=O)Nc1ccccc1COC(C)(C)CC)[C@@H](C)C(=O)[O-] ZINC001603716100 974142194 /nfs/dbraw/zinc/14/21/94/974142194.db2.gz NFBMWCCOVUNHNE-ZDUSSCGKSA-N -1 0 336.432 3.719 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)CCCCC(=O)c2ccccc2)C1 ZINC000449138676 974145874 /nfs/dbraw/zinc/14/58/74/974145874.db2.gz ISWHEVCTBPEXRP-MRXNPFEDSA-N -1 0 345.439 3.533 20 0 EHADRM Cc1cc(F)cc([C@@]2(F)CCN(C(=O)c3ccc(C(=O)[O-])cc3)C2)c1 ZINC000450545523 974150487 /nfs/dbraw/zinc/15/04/87/974150487.db2.gz YHLPHMWYCMECTN-LJQANCHMSA-N -1 0 345.345 3.543 20 0 EHADRM CC[C@H](C)[C@@H](C)C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000455942516 974175859 /nfs/dbraw/zinc/17/58/59/974175859.db2.gz YYHQSJDFVPUSHV-OPQQBVKSSA-N -1 0 331.334 3.787 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000471985355 974198112 /nfs/dbraw/zinc/19/81/12/974198112.db2.gz LFGMXKKYATXJMS-MRXNPFEDSA-N -1 0 345.782 3.597 20 0 EHADRM CC[C@](NC(=O)[C@@H]1C[C@H]1c1ccccc1C)(C(=O)[O-])c1ccccc1 ZINC000485351312 974226945 /nfs/dbraw/zinc/22/69/45/974226945.db2.gz NJBLLOGDKJBMJI-WAOWUJCRSA-N -1 0 337.419 3.605 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000486049794 974243389 /nfs/dbraw/zinc/24/33/89/974243389.db2.gz BGYOWCRYLNZWEK-YZVOILCLSA-N -1 0 339.435 3.931 20 0 EHADRM O=C([O-])CC1(CC(=O)NCc2ccc(Cl)cc2F)CCCC1 ZINC000487501089 974249668 /nfs/dbraw/zinc/24/96/68/974249668.db2.gz NUKLPUKVXYTWSC-UHFFFAOYSA-N -1 0 327.783 3.521 20 0 EHADRM O=C(/C=C\C1CCOCC1)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000492366969 974258186 /nfs/dbraw/zinc/25/81/86/974258186.db2.gz JGYQCRKUTXYYBZ-RJRFIUFISA-N -1 0 331.393 3.521 20 0 EHADRM CCc1ccc(C(=O)CCC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000500615704 974267880 /nfs/dbraw/zinc/26/78/80/974267880.db2.gz ITQSYCIJIYYKES-UHFFFAOYSA-N -1 0 325.364 3.549 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)s1 ZINC000512750220 974288320 /nfs/dbraw/zinc/28/83/20/974288320.db2.gz UTWJJGIQQLTRCL-KGLIPLIRSA-N -1 0 329.421 3.903 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CN1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000515855895 974302872 /nfs/dbraw/zinc/30/28/72/974302872.db2.gz LYCWLFSUTMABSM-MEDUHNTESA-N -1 0 349.427 3.856 20 0 EHADRM CCO[C@@H](CC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)C(C)C ZINC001603824396 974316558 /nfs/dbraw/zinc/31/65/58/974316558.db2.gz OJQXONZAQLUHPU-NSHDSACASA-N -1 0 331.771 3.567 20 0 EHADRM Cc1cccc(Oc2ncccc2NC(=O)C[C@@H](C)CC(=O)[O-])c1C ZINC000517390731 974318185 /nfs/dbraw/zinc/31/81/85/974318185.db2.gz KFOHQAXIXKCRNP-GFCCVEGCSA-N -1 0 342.395 3.930 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)CCCCC1 ZINC000532000103 974369491 /nfs/dbraw/zinc/36/94/91/974369491.db2.gz AXBBBZHTLATAGC-HUUCEWRRSA-N -1 0 335.831 3.737 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@@H](C)Sc1ccccc1Cl ZINC000539612896 974397258 /nfs/dbraw/zinc/39/72/58/974397258.db2.gz GSLJHUFWPVVTRM-LLVKDONJSA-N -1 0 343.876 3.970 20 0 EHADRM C[C@H](C(=O)N1CCc2ccc(C(=O)[O-])cc2C1)c1cc2ccccc2o1 ZINC000539676946 974399077 /nfs/dbraw/zinc/39/90/77/974399077.db2.gz MBSKYMURXASKMG-ZDUSSCGKSA-N -1 0 349.386 3.819 20 0 EHADRM Cc1ccc(SCC(=O)Nc2cc(C(=O)[O-])ccc2F)c(C)c1 ZINC000540705523 974406645 /nfs/dbraw/zinc/40/66/45/974406645.db2.gz RCNIRJUTBZJXBS-UHFFFAOYSA-N -1 0 333.384 3.872 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N(C)Cc2ccccc2)cc1)C(=O)[O-] ZINC000548260720 974461707 /nfs/dbraw/zinc/46/17/07/974461707.db2.gz OZOMZYUZZLTBEY-AWEZNQCLSA-N -1 0 326.396 3.614 20 0 EHADRM O=C([O-])[C@H](CC(F)F)NC(=O)N(c1ccccc1)c1ccccc1 ZINC000548528389 974465576 /nfs/dbraw/zinc/46/55/76/974465576.db2.gz BSSXYSASSZORGN-AWEZNQCLSA-N -1 0 334.322 3.643 20 0 EHADRM CCc1nc2ccc(NC(=O)NC(C)(C)CCC(=O)[O-])cc2s1 ZINC001603983020 974483884 /nfs/dbraw/zinc/48/38/84/974483884.db2.gz RESLQJRYDAMJRV-UHFFFAOYSA-N -1 0 335.429 3.624 20 0 EHADRM CCCCN(CC(F)(F)F)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000274531366 1014197294 /nfs/dbraw/zinc/19/72/94/1014197294.db2.gz UJWVBNJHQUVXGT-UHFFFAOYSA-N -1 0 327.705 3.989 20 0 EHADRM Cc1nc2scc(CC(C)C)c2c(N2CCC(CC(=O)[O-])CC2)n1 ZINC000561983616 974504705 /nfs/dbraw/zinc/50/47/05/974504705.db2.gz AKQPNFKDKZSRQU-UHFFFAOYSA-N -1 0 347.484 3.889 20 0 EHADRM C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1Cc1occc1C(=O)[O-] ZINC000564660090 974551762 /nfs/dbraw/zinc/55/17/62/974551762.db2.gz AGFUWGDRBRITBH-NHYWBVRUSA-N -1 0 335.787 3.593 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1ccoc1C1CC1 ZINC000566289254 974602285 /nfs/dbraw/zinc/60/22/85/974602285.db2.gz PTXALPFOVPANAY-UHFFFAOYSA-N -1 0 327.380 3.664 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(COc2ccccc2)cc1 ZINC000567062208 974626360 /nfs/dbraw/zinc/62/63/60/974626360.db2.gz VXHAYWRIKBWPOL-AWEZNQCLSA-N -1 0 327.380 3.705 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N1CCC[C@H](c2ccccc2)C1 ZINC000568285991 974666207 /nfs/dbraw/zinc/66/62/07/974666207.db2.gz PCKDMXXXEDAQFI-SFHVURJKSA-N -1 0 337.419 3.724 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(NCCCC3CCOCC3)c12 ZINC000569930913 974701909 /nfs/dbraw/zinc/70/19/09/974701909.db2.gz OSIPXEQUERSLFO-UHFFFAOYSA-N -1 0 349.456 3.625 20 0 EHADRM CCO[C@@H](C)c1nc(CN(C)[C@@H](C(=O)[O-])c2ccsc2)cs1 ZINC000569934615 974702365 /nfs/dbraw/zinc/70/23/65/974702365.db2.gz KCRQTMCWVIFYHN-GXFFZTMASA-N -1 0 340.470 3.560 20 0 EHADRM CCO[C@H](C)c1nc(CN(C)[C@@H](C(=O)[O-])c2ccsc2)cs1 ZINC000569934617 974702390 /nfs/dbraw/zinc/70/23/90/974702390.db2.gz KCRQTMCWVIFYHN-ZWNOBZJWSA-N -1 0 340.470 3.560 20 0 EHADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1sc2cc(Cl)ccc2c1Cl ZINC000570345172 974710235 /nfs/dbraw/zinc/71/02/35/974710235.db2.gz GTRPQKFVBVUDGS-FKQCQYRASA-N -1 0 344.219 3.801 20 0 EHADRM Cc1ccc(-c2noc(CN3CC[C@H](C(=O)[O-])c4ccccc43)n2)cc1 ZINC000571627894 974732299 /nfs/dbraw/zinc/73/22/99/974732299.db2.gz FRHJUESBFOIZIZ-INIZCTEOSA-N -1 0 349.390 3.624 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2cccc3c2ccn3C)cc1)C(=O)[O-] ZINC000571739725 974735169 /nfs/dbraw/zinc/73/51/69/974735169.db2.gz VHOSNDRWGZDDCM-CYBMUJFWSA-N -1 0 336.391 3.694 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N3CCCc4occc4C3)c12 ZINC000571883787 974738254 /nfs/dbraw/zinc/73/82/54/974738254.db2.gz DYPBRLIRNOITCY-UHFFFAOYSA-N -1 0 343.408 3.552 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@@H](C)c2ccccc2Cl)cc1C ZINC000107962943 1014215349 /nfs/dbraw/zinc/21/53/49/1014215349.db2.gz OBBKDRPIVGJKSW-PSLXWICFSA-N -1 0 349.883 3.942 20 0 EHADRM O=C([O-])c1ccc(CN2CCC[C@@H]2c2nc3ccccc3s2)nc1 ZINC000574884032 974790423 /nfs/dbraw/zinc/79/04/23/974790423.db2.gz LDZRZSWBZNTIHN-OAHLLOKOSA-N -1 0 339.420 3.727 20 0 EHADRM Cc1ccc(CC(=O)[O-])cc1-c1cc(F)ccc1OC[C@H]1CCCO1 ZINC000574927805 974791797 /nfs/dbraw/zinc/79/17/97/974791797.db2.gz XQNKRYJBSYXING-MRXNPFEDSA-N -1 0 344.382 3.986 20 0 EHADRM O=C([O-])c1ccc(CN(CCC(F)(F)F)Cc2ccccc2)nc1 ZINC000578076553 974847472 /nfs/dbraw/zinc/84/74/72/974847472.db2.gz NTWQIFPGFPIBRX-UHFFFAOYSA-N -1 0 338.329 3.734 20 0 EHADRM O=C([O-])c1cc(/C=C\c2ccc(SC(F)(F)F)cc2)ncn1 ZINC000753857664 1014220232 /nfs/dbraw/zinc/22/02/32/1014220232.db2.gz HSWXAXQAZFFDGS-RJRFIUFISA-N -1 0 326.299 3.957 20 0 EHADRM COc1ccc(N(Cc2cccs2)C(=O)C[C@H](C)CC(=O)[O-])cc1 ZINC000581736977 974914814 /nfs/dbraw/zinc/91/48/14/974914814.db2.gz QNAWSLLFCPXSTB-ZDUSSCGKSA-N -1 0 347.436 3.791 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)Nc1ccccc1Cc1ccccc1)C(=O)[O-] ZINC000597026087 975000030 /nfs/dbraw/zinc/00/00/30/975000030.db2.gz LGBFLEOUNZWTGH-UONOGXRCSA-N -1 0 343.448 3.811 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1)C(=O)[O-] ZINC000618022562 975024537 /nfs/dbraw/zinc/02/45/37/975024537.db2.gz QQUHJPXDNFNZDS-STQMWFEESA-N -1 0 329.421 3.887 20 0 EHADRM CC(C)Oc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000620423122 975026540 /nfs/dbraw/zinc/02/65/40/975026540.db2.gz JNFRVUKFSVDXJL-QGZVFWFLSA-N -1 0 345.370 3.559 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)Cc1ccc(Cl)s1 ZINC000621589023 975046814 /nfs/dbraw/zinc/04/68/14/975046814.db2.gz LUFROCNPRNLLTQ-KBPBESRZSA-N -1 0 349.839 3.761 20 0 EHADRM CC[C@H](C)[C@H](C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC000621608263 975057024 /nfs/dbraw/zinc/05/70/24/975057024.db2.gz NTNAUCLNMLOOQM-HUBLWGQQSA-N -1 0 346.452 3.848 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000621611464 975060610 /nfs/dbraw/zinc/06/06/10/975060610.db2.gz CVUMCVYDNGYXFZ-STQMWFEESA-N -1 0 346.452 3.678 20 0 EHADRM Cc1ccccc1C1(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)CCCC1 ZINC000630101473 975101352 /nfs/dbraw/zinc/10/13/52/975101352.db2.gz LXVNLRQUFOLTIE-KRWDZBQOSA-N -1 0 341.451 3.520 20 0 EHADRM Cc1cc(C(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)oc1C(=O)[O-] ZINC000630106986 975103866 /nfs/dbraw/zinc/10/38/66/975103866.db2.gz OLGUXQLZUAIAMS-IINYFYTJSA-N -1 0 343.379 3.807 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)C[C@H](C)c1ccco1)C(=O)[O-] ZINC000630123078 975110845 /nfs/dbraw/zinc/11/08/45/975110845.db2.gz OZNITTNZCGPLRQ-GJZGRUSLSA-N -1 0 329.396 3.523 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)cc1C(=O)[O-] ZINC000630131423 975116454 /nfs/dbraw/zinc/11/64/54/975116454.db2.gz HOSOVFNOGOFTMT-CVEARBPZSA-N -1 0 345.370 3.578 20 0 EHADRM CC[C@@H]1CCCC[C@H]1C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000630140615 975124682 /nfs/dbraw/zinc/12/46/82/975124682.db2.gz HTRPIVPPCBIVIW-SJLPKXTDSA-N -1 0 347.455 3.763 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)C(F)(F)F ZINC000630145944 975128897 /nfs/dbraw/zinc/12/88/97/975128897.db2.gz FGSCINDQDPXUFX-KWQFWETISA-N -1 0 337.725 3.561 20 0 EHADRM Cc1oc(-c2ccccc2)cc1C(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000630156274 975133614 /nfs/dbraw/zinc/13/36/14/975133614.db2.gz GZXSHFCKICSTQO-LBPRGKRZSA-N -1 0 327.380 3.580 20 0 EHADRM CC[C@H](CC(=O)N(C)Cc1ccc(OCC(=O)[O-])cc1)C(C)(C)C ZINC000630160335 975136207 /nfs/dbraw/zinc/13/62/07/975136207.db2.gz AGPHLJSCTNHPEK-OAHLLOKOSA-N -1 0 335.444 3.571 20 0 EHADRM Cc1cc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)oc1C(=O)[O-] ZINC000630181771 975145337 /nfs/dbraw/zinc/14/53/37/975145337.db2.gz NWOQBFNQWYIODP-BZUAXINKSA-N -1 0 339.391 3.695 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1C(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC000630179119 975145339 /nfs/dbraw/zinc/14/53/39/975145339.db2.gz AIZFOYSKPHOUEP-MSOLQXFVSA-N -1 0 339.391 3.770 20 0 EHADRM Cc1ccc(CO[C@H](C)C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cc1 ZINC000630194781 975152528 /nfs/dbraw/zinc/15/25/28/975152528.db2.gz VEKMRCFTUVWORQ-LSDHHAIUSA-N -1 0 341.407 3.727 20 0 EHADRM Cc1ccccc1CO[C@@H](C)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000630194613 975152589 /nfs/dbraw/zinc/15/25/89/975152589.db2.gz QKDMILZWAZWYFG-CABCVRRESA-N -1 0 341.407 3.727 20 0 EHADRM O=C([O-])c1cccc2c1CN(C(=O)[C@@H]1CC[C@@H](c3ccccc3)C1)CC2 ZINC000630200033 975157167 /nfs/dbraw/zinc/15/71/67/975157167.db2.gz LDWCHCKDWBJKMO-QZTJIDSGSA-N -1 0 349.430 3.853 20 0 EHADRM C[C@H](CC1CCCC1)C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC000630257818 975200292 /nfs/dbraw/zinc/20/02/92/975200292.db2.gz FQRDXGBNVPHUON-NEPJUHHUSA-N -1 0 337.391 3.833 20 0 EHADRM C[C@@H](Oc1ccc(NC(=O)C(C)(C)C2CCCC2)cc1F)C(=O)[O-] ZINC000630257523 975200407 /nfs/dbraw/zinc/20/04/07/975200407.db2.gz AUUZIBIWYQGYJJ-LLVKDONJSA-N -1 0 337.391 3.833 20 0 EHADRM Cc1cc(C)c(C(=O)Nc2ccc(O[C@H](C)C(=O)[O-])c(F)c2)c(C)c1 ZINC000630258272 975201754 /nfs/dbraw/zinc/20/17/54/975201754.db2.gz MRWFDCFWOQXGSX-CYBMUJFWSA-N -1 0 345.370 3.855 20 0 EHADRM CCC[C@H](C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1)C(C)C ZINC000630259870 975203494 /nfs/dbraw/zinc/20/34/94/975203494.db2.gz DLRHAUKKULEJNW-YPMHNXCESA-N -1 0 325.380 3.688 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3s2)[C@H]2CCC[C@H]21 ZINC000630278853 975223332 /nfs/dbraw/zinc/22/33/32/975223332.db2.gz ILYVBKSAROEPME-MJBXVCDLSA-N -1 0 347.411 3.756 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2csc3ccccc23)[C@@H]2CCC[C@@H]21 ZINC000630279631 975224469 /nfs/dbraw/zinc/22/44/69/975224469.db2.gz KFETVHUUVZXPHG-UXIGCNINSA-N -1 0 329.421 3.617 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]2CCC[C@@H]21 ZINC000630284488 975229047 /nfs/dbraw/zinc/22/90/47/975229047.db2.gz XBQBNGSHNGEKKU-GYSYKLTISA-N -1 0 342.222 3.709 20 0 EHADRM C[C@H](C(=O)Nc1ccc(C(=O)[O-])c2ccccc12)C1CCOCC1 ZINC000630285614 975230448 /nfs/dbraw/zinc/23/04/48/975230448.db2.gz BLTHLILOZQXBKS-LBPRGKRZSA-N -1 0 327.380 3.539 20 0 EHADRM CC[C@@H](c1ccccc1OC)N(C)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000630296450 975236483 /nfs/dbraw/zinc/23/64/83/975236483.db2.gz WTHXQZFYXYDBPN-KRWDZBQOSA-N -1 0 341.407 3.546 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)CCCc2ccc(F)cc2)cc1 ZINC000630330550 975258745 /nfs/dbraw/zinc/25/87/45/975258745.db2.gz RCFJPOCUKVJCOB-ZWKOTPCHSA-N -1 0 341.382 3.975 20 0 EHADRM Cc1cc2ccccc2c(NC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000630570042 975268700 /nfs/dbraw/zinc/26/87/00/975268700.db2.gz WVIHUVLHUYXJDA-DZGCQCFKSA-N -1 0 326.396 3.723 20 0 EHADRM Cc1oc(CN(C)C(=O)C2CC(c3ccc(F)cc3)C2)cc1C(=O)[O-] ZINC000634804107 975276595 /nfs/dbraw/zinc/27/65/95/975276595.db2.gz VYUJGUSLIRIYKF-UHFFFAOYSA-N -1 0 345.370 3.578 20 0 EHADRM O=C([O-])CC1(CC(=O)N2CCC[C@@H]2c2cccc(F)c2)CCCC1 ZINC000634868271 975279507 /nfs/dbraw/zinc/27/95/07/975279507.db2.gz AUNWMUYNQMTDCX-MRXNPFEDSA-N -1 0 333.403 3.914 20 0 EHADRM O=C([O-])CC1(CC(=O)N2CC[C@@H](Cc3ccccc3)C2)CCCC1 ZINC000634862014 975279620 /nfs/dbraw/zinc/27/96/20/975279620.db2.gz OMVFWNDUZPRTSQ-KRWDZBQOSA-N -1 0 329.440 3.503 20 0 EHADRM Cc1oc(-c2ccccc2)nc1C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000642147538 975289742 /nfs/dbraw/zinc/28/97/42/975289742.db2.gz WLUWSBLNMGNWQT-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM CCCCN(C(=O)c1ccc(C(=O)[O-])cn1)[C@H](C)c1ccccc1 ZINC000642210715 975291710 /nfs/dbraw/zinc/29/17/10/975291710.db2.gz GVRUIJCEDSZRRM-CQSZACIVSA-N -1 0 326.396 3.783 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)NCCC(C)(C)C(=O)[O-])cc2)oc1C ZINC000644169913 975324422 /nfs/dbraw/zinc/32/44/22/975324422.db2.gz UVHSDLKUNXFMHQ-UHFFFAOYSA-N -1 0 345.399 3.581 20 0 EHADRM CC(C)c1cc(N2Cc3ccccc3[C@@H](C(=O)[O-])C2)nc(C(C)C)n1 ZINC000649401159 975415789 /nfs/dbraw/zinc/41/57/89/975415789.db2.gz VZSXRWRJGJGKON-INIZCTEOSA-N -1 0 339.439 3.912 20 0 EHADRM Cc1c2cccc(C)c2oc1CN(C)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000650291404 975430638 /nfs/dbraw/zinc/43/06/38/975430638.db2.gz RAPKXTKYQJECOW-HUUCEWRRSA-N -1 0 343.423 3.899 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@H](C)c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000652058414 975462041 /nfs/dbraw/zinc/46/20/41/975462041.db2.gz WQTVTDCLZZMIPM-SNVBAGLBSA-N -1 0 335.787 3.702 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)COC[C@@H](C)c1ccccc1 ZINC000652067394 975466091 /nfs/dbraw/zinc/46/60/91/975466091.db2.gz WGIWFPMHPCXIRL-OAHLLOKOSA-N -1 0 341.407 3.760 20 0 EHADRM Cc1c(C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])cccc1-c1ccccn1 ZINC000652079494 975475863 /nfs/dbraw/zinc/47/58/63/975475863.db2.gz HAWCKVZCDGUWAO-KRWDZBQOSA-N -1 0 340.423 3.676 20 0 EHADRM CCO[C@H]1CCCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000652394764 975521074 /nfs/dbraw/zinc/52/10/74/975521074.db2.gz DYWGZPLFMMGGJX-FZMZJTMJSA-N -1 0 332.227 3.620 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)c2cccc(CC(=O)[O-])c2)C1 ZINC000653644593 975614063 /nfs/dbraw/zinc/61/40/63/975614063.db2.gz YEUBSAYOXZMNTB-UGSOOPFHSA-N -1 0 341.382 3.676 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2cccc(CC(=O)[O-])c2)C1 ZINC000653644592 975614204 /nfs/dbraw/zinc/61/42/04/975614204.db2.gz YEUBSAYOXZMNTB-SCLBCKFNSA-N -1 0 341.382 3.676 20 0 EHADRM CN(C(=O)CCCCC(=O)[O-])c1ccc(OCc2ccccc2)cc1 ZINC000655545062 975626475 /nfs/dbraw/zinc/62/64/75/975626475.db2.gz YCJAXSPCQFJNEP-UHFFFAOYSA-N -1 0 341.407 3.873 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000659122379 975722039 /nfs/dbraw/zinc/72/20/39/975722039.db2.gz LKYJESJFUHDVES-OCCSQVGLSA-N -1 0 327.380 3.613 20 0 EHADRM CO[C@@H](C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C)C1CCCCC1 ZINC000659124132 975724602 /nfs/dbraw/zinc/72/46/02/975724602.db2.gz JOYHBXKREUKBPO-QGZVFWFLSA-N -1 0 349.427 3.706 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)cc1 ZINC000659136158 975737134 /nfs/dbraw/zinc/73/71/34/975737134.db2.gz DHUKPYRLKSQBPU-YOEHRIQHSA-N -1 0 337.366 3.858 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)c1cc(C2CC2)nc2ccc(C)cc21)C(=O)[O-] ZINC000339363174 1014282057 /nfs/dbraw/zinc/28/20/57/1014282057.db2.gz SAUMVNSLWVKBGS-KZULUSFZSA-N -1 0 340.423 3.650 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC000659163991 975762988 /nfs/dbraw/zinc/76/29/88/975762988.db2.gz NFXHZJNXIFPDTC-JTQLQIEISA-N -1 0 347.798 3.742 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CCCc3ccccc32)[C@H]2CCCC[C@H]12 ZINC000659191332 975787903 /nfs/dbraw/zinc/78/79/03/975787903.db2.gz CEENUHHLPHQSIR-MKXGPGLRSA-N -1 0 341.451 3.598 20 0 EHADRM CC(C)Oc1c(NC(=O)c2ccc3[nH]ccc3c2)cccc1C(=O)[O-] ZINC001591746959 975788420 /nfs/dbraw/zinc/78/84/20/975788420.db2.gz XELMBMBYKCHEID-UHFFFAOYSA-N -1 0 338.363 3.906 20 0 EHADRM CC[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000659191542 975788743 /nfs/dbraw/zinc/78/87/43/975788743.db2.gz DMKVPVIOBLCWPW-XSLAGTTESA-N -1 0 329.440 3.672 20 0 EHADRM C[C@H](CC(=O)NCc1ccoc1C(=O)[O-])Cc1ccc(Cl)cc1 ZINC000659201706 975809581 /nfs/dbraw/zinc/80/95/81/975809581.db2.gz XSIMOHKXGBYSTI-NSHDSACASA-N -1 0 335.787 3.516 20 0 EHADRM CC(C)Oc1cc(COC(=O)c2cc(C(=O)[O-])ccc2Cl)ccn1 ZINC001591755330 975816945 /nfs/dbraw/zinc/81/69/45/975816945.db2.gz GOIGPLAZMUJVMJ-UHFFFAOYSA-N -1 0 349.770 3.577 20 0 EHADRM CC(C)c1cc(C(=O)NC[C@H](CC(=O)[O-])C2CC2)c2ccccc2n1 ZINC000659209311 975820210 /nfs/dbraw/zinc/82/02/10/975820210.db2.gz MABJRNSWCMUIDB-AWEZNQCLSA-N -1 0 340.423 3.589 20 0 EHADRM Cc1ccc(C2CC2)c(C(=O)NCc2ccc(C(=O)[O-])cc2F)c1 ZINC000659223792 975835388 /nfs/dbraw/zinc/83/53/88/975835388.db2.gz UIOQRZAVCYCKSN-UHFFFAOYSA-N -1 0 327.355 3.640 20 0 EHADRM C[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCC(=O)[O-] ZINC000659232298 975842426 /nfs/dbraw/zinc/84/24/26/975842426.db2.gz GXLLZLSGRYRISF-MRXNPFEDSA-N -1 0 325.408 3.511 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CCCC12CCC2 ZINC001591767760 975883387 /nfs/dbraw/zinc/88/33/87/975883387.db2.gz QFPADJHGUNHLJC-UHFFFAOYSA-N -1 0 332.400 3.722 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1NC(=O)NCC1(C(=O)[O-])CC1 ZINC000663343939 975944699 /nfs/dbraw/zinc/94/46/99/975944699.db2.gz KHBVYMFEEGHCCD-UHFFFAOYSA-N -1 0 340.379 3.774 20 0 EHADRM CC(C)Oc1ccc(NC(=O)NC2(CC(=O)[O-])CCCC2)c(F)c1 ZINC001591786686 975958652 /nfs/dbraw/zinc/95/86/52/975958652.db2.gz NBEXSHJVBZGFBH-UHFFFAOYSA-N -1 0 338.379 3.522 20 0 EHADRM CC(C)Oc1ccc(NC(=O)c2cc3c(s2)CCC3)c(C(=O)[O-])c1 ZINC001591788027 975966117 /nfs/dbraw/zinc/96/61/17/975966117.db2.gz KBTFIMCZKLMMFO-UHFFFAOYSA-N -1 0 345.420 3.975 20 0 EHADRM Cc1cscc1CNC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000668302361 975990958 /nfs/dbraw/zinc/99/09/58/975990958.db2.gz FPEZKPCPJHCUQR-NSHDSACASA-N -1 0 335.450 3.552 20 0 EHADRM Cc1ccc([C@@H]2CCN(C(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)C2)c(C)c1 ZINC000668322544 975997994 /nfs/dbraw/zinc/99/79/94/975997994.db2.gz ZBXPSBQGGDWXDC-IXDOHACOSA-N -1 0 329.440 3.510 20 0 EHADRM O=C([O-])[C@H]1CCCN1C(=O)c1sc2cccc(Cl)c2c1Cl ZINC000676214799 976028518 /nfs/dbraw/zinc/02/85/18/976028518.db2.gz YDSNVMCSOUURLA-MRVPVSSYSA-N -1 0 344.219 3.897 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)CCc1ccc(Br)cc1 ZINC000681680946 976071218 /nfs/dbraw/zinc/07/12/18/976071218.db2.gz AVNXHWHMJOSQKH-UHFFFAOYSA-N -1 0 348.196 3.719 20 0 EHADRM Cc1cc(C)cc(CCC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000683324414 976087838 /nfs/dbraw/zinc/08/78/38/976087838.db2.gz GTIPLMTUPBNROF-QGZVFWFLSA-N -1 0 331.456 3.585 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)CCc2ccccc2F)cc1)C(=O)[O-] ZINC000683331800 976089296 /nfs/dbraw/zinc/08/92/96/976089296.db2.gz SVQKMSNOYFOHTO-ZDUSSCGKSA-N -1 0 329.371 3.660 20 0 EHADRM CC(C)[C@@H]1C[C@H](NC(=O)Cc2ccccc2C(=O)[O-])c2ccccc21 ZINC001591846426 976127772 /nfs/dbraw/zinc/12/77/72/976127772.db2.gz OEHALNKEPQORMO-OALUTQOASA-N -1 0 337.419 3.928 20 0 EHADRM CC(C)c1cc(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])cc(=O)[nH]1 ZINC001591930768 976426462 /nfs/dbraw/zinc/42/64/62/976426462.db2.gz GIETXIRFGVWKHG-UHFFFAOYSA-N -1 0 334.759 3.515 20 0 EHADRM CC(C)c1cc(C(=O)Nc2nc(C3CCCC3)c(C(=O)[O-])s2)n[nH]1 ZINC001591931029 976430111 /nfs/dbraw/zinc/43/01/11/976430111.db2.gz NAKOATVHWNDMTK-UHFFFAOYSA-N -1 0 348.428 3.598 20 0 EHADRM CC(C)c1ccc(C2(C(=O)N[C@@H](CCF)C(=O)[O-])CCCCC2)cc1 ZINC001591949559 976506748 /nfs/dbraw/zinc/50/67/48/976506748.db2.gz WQGGEVKZKCUHBB-KRWDZBQOSA-N -1 0 349.446 3.941 20 0 EHADRM CC(C)c1ccc([C@H]2CCCN2C(=O)c2csc(C(=O)[O-])n2)cc1 ZINC001591949668 976508547 /nfs/dbraw/zinc/50/85/47/976508547.db2.gz YTTBRRKBZDMRTH-OAHLLOKOSA-N -1 0 344.436 3.942 20 0 EHADRM CC(C)c1ccc(CCNC(=O)NCc2ccc(C(=O)[O-])s2)cc1 ZINC001591953332 976516889 /nfs/dbraw/zinc/51/68/89/976516889.db2.gz XPOXIFTXMYUEOA-UHFFFAOYSA-N -1 0 346.452 3.612 20 0 EHADRM CC(C)c1ccc(CCCNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC001591953291 976517075 /nfs/dbraw/zinc/51/70/75/976517075.db2.gz VWKIMHNKSPENTB-ZWKOTPCHSA-N -1 0 331.456 3.750 20 0 EHADRM CC(C)c1ccc(NC(=O)COc2cc(F)cc(F)c2)c(C(=O)[O-])c1 ZINC001591965165 976556342 /nfs/dbraw/zinc/55/63/42/976556342.db2.gz HGGWJVYJDKLJNH-UHFFFAOYSA-N -1 0 349.333 3.804 20 0 EHADRM CC(C)c1ccc(NC(=O)N2CCC(CCCO)CC2)c(C(=O)[O-])c1 ZINC001591965375 976557472 /nfs/dbraw/zinc/55/74/72/976557472.db2.gz JXISTXVCYQMLPK-UHFFFAOYSA-N -1 0 348.443 3.525 20 0 EHADRM CC(C)c1ccc(OCCC(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC001591973216 976574425 /nfs/dbraw/zinc/57/44/25/976574425.db2.gz VSBSAVYGJLMFIW-UHFFFAOYSA-N -1 0 333.409 3.977 20 0 EHADRM CC(C)c1ccc2ncnc(N[C@H]3C[C@H]4C[C@H](C(=O)[O-])C[C@H]43)c2c1 ZINC001591980643 976594718 /nfs/dbraw/zinc/59/47/18/976594718.db2.gz JEZBFXCMNNVVPA-OEUWWYETSA-N -1 0 325.412 3.664 20 0 EHADRM CC(C)c1ccc2occ(C(=O)N[C@H]3C[C@@H]4C[C@]4(C(=O)[O-])C3)c2c1 ZINC001591980675 976594984 /nfs/dbraw/zinc/59/49/84/976594984.db2.gz KXVCQTKGQQLDHZ-NQCMUKECSA-N -1 0 327.380 3.539 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)NC1CC(CC(=O)[O-])C1)CCC2 ZINC001591981641 976597471 /nfs/dbraw/zinc/59/74/71/976597471.db2.gz UNFKFKCIQNFDLR-PVCYVWKFSA-N -1 0 344.455 3.740 20 0 EHADRM CC(C)c1cccc(CNC(=O)N[C@@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC001591988233 976616568 /nfs/dbraw/zinc/61/65/68/976616568.db2.gz ZMGYOVMXUIRRSZ-NSHDSACASA-N -1 0 347.440 3.525 20 0 EHADRM CC(C)c1cccc2c1CCN(C(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C2 ZINC001591994489 976632528 /nfs/dbraw/zinc/63/25/28/976632528.db2.gz NLGNGNNAZNYKMS-ZWKOTPCHSA-N -1 0 329.440 3.586 20 0 EHADRM CC(C)c1ccccc1OCC(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001591998758 976646436 /nfs/dbraw/zinc/64/64/36/976646436.db2.gz UJRNHZKNFIJOFM-HXUWFJFHSA-N -1 0 347.455 3.729 20 0 EHADRM CC(C)c1ccccc1OCC(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001591999142 976648010 /nfs/dbraw/zinc/64/80/10/976648010.db2.gz YSUGJKLCHOCJBU-MRXNPFEDSA-N -1 0 347.455 3.586 20 0 EHADRM CC(C)c1cnc(NC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)s1 ZINC001592002798 976655260 /nfs/dbraw/zinc/65/52/60/976655260.db2.gz OCPJQJUOSIKPEU-UHFFFAOYSA-N -1 0 345.424 3.555 20 0 EHADRM CC(C)c1ccsc1C(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC001592002909 976656688 /nfs/dbraw/zinc/65/66/88/976656688.db2.gz LJGZTIRKPJAGAI-UHFFFAOYSA-N -1 0 329.421 3.768 20 0 EHADRM CC(C)c1nc([C@H]2CCCCN2Cc2ccccc2CC(=O)[O-])no1 ZINC001592015299 976697357 /nfs/dbraw/zinc/69/73/57/976697357.db2.gz MEIOECADXRPCKR-MRXNPFEDSA-N -1 0 343.427 3.547 20 0 EHADRM CC(C)c1nc(NC(=O)/C=C\C=C(Cl)Cl)sc1C(=O)[O-] ZINC001592021259 976714132 /nfs/dbraw/zinc/71/41/32/976714132.db2.gz AKICFBZEBCSMSZ-HYXAFXHYSA-N -1 0 335.212 3.778 20 0 EHADRM CC(C)c1ncc(CN(C)[C@@H](C(=O)[O-])c2ccccc2Cl)cn1 ZINC001592034153 976750872 /nfs/dbraw/zinc/75/08/72/976750872.db2.gz UBFSCZKOLXFICA-OAHLLOKOSA-N -1 0 333.819 3.511 20 0 EHADRM CC(C)c1ncsc1NC(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001592042163 976766821 /nfs/dbraw/zinc/76/68/21/976766821.db2.gz AYYAQLIYROZPKR-LBPRGKRZSA-N -1 0 339.461 3.669 20 0 EHADRM CC(C)c1oc(-c2ccccc2)nc1C(=O)N(CCC(=O)[O-])C(C)C ZINC001592105376 976878108 /nfs/dbraw/zinc/87/81/08/976878108.db2.gz DOSSODJOYNBLES-UHFFFAOYSA-N -1 0 344.411 3.790 20 0 EHADRM CC(C)c1nsc(NCCc2cc3ccc(C(=O)[O-])cc3o2)n1 ZINC001592105738 976879136 /nfs/dbraw/zinc/87/91/36/976879136.db2.gz IEAZVOZNITXQDR-UHFFFAOYSA-N -1 0 331.397 3.761 20 0 EHADRM CC(C)c1sc(NC(=O)c2cccc3cnccc32)nc1C(=O)[O-] ZINC001592115246 976913678 /nfs/dbraw/zinc/91/36/78/976913678.db2.gz XGBSINZOZZDTML-UHFFFAOYSA-N -1 0 341.392 3.765 20 0 EHADRM CC(C)n1c(NC(=O)c2ccc(C(=O)[O-])cc2F)nc2ccccc21 ZINC001592121106 976926994 /nfs/dbraw/zinc/92/69/94/976926994.db2.gz HCPHEUUBVGGFNL-UHFFFAOYSA-N -1 0 341.342 3.707 20 0 EHADRM CC(C)n1cc2cc(NC(=O)c3ccsc3CC(=O)[O-])ccc2n1 ZINC001592131410 976966895 /nfs/dbraw/zinc/96/68/95/976966895.db2.gz TWNKXJXUZNNJHN-UHFFFAOYSA-N -1 0 343.408 3.558 20 0 EHADRM C[C@@H](C1CC1)n1cc(NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cn1 ZINC001592180740 977096961 /nfs/dbraw/zinc/09/69/61/977096961.db2.gz FHHOHEBTZWZEMG-VIFPVBQESA-N -1 0 348.790 3.850 20 0 EHADRM C[C@@H](/C=C/C(=O)[O-])NC(=O)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC001592202435 977218051 /nfs/dbraw/zinc/21/80/51/977218051.db2.gz CJLZTVOLWAAGPT-GXQKKRFUSA-N -1 0 347.317 3.516 20 0 EHADRM C[C@H](CC(=O)N1C[C@H](C(=O)[O-])Cc2ccccc21)C1CCCCC1 ZINC001592228155 977428884 /nfs/dbraw/zinc/42/88/84/977428884.db2.gz ZBFNTPJSXZFWMF-RHSMWYFYSA-N -1 0 329.440 3.883 20 0 EHADRM C[C@@H](NC(=O)C[C@@H](C)CC(C)(C)C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001592243018 977465241 /nfs/dbraw/zinc/46/52/41/977465241.db2.gz RKRXMMSRLAAACC-INMHGKMJSA-N -1 0 333.472 3.897 20 0 EHADRM C[C@H](CC(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1)c1ccc(F)cc1 ZINC001592246846 977476600 /nfs/dbraw/zinc/47/66/00/977476600.db2.gz XQETXJFYIJZUMW-YJYMSZOUSA-N -1 0 335.419 3.859 20 0 EHADRM C[C@H](CC(=O)NCc1ccc(Cl)c(C(=O)[O-])n1)CC(C)(C)C ZINC001592252573 977481982 /nfs/dbraw/zinc/48/19/82/977481982.db2.gz NAJJTCXJMWRKTB-SNVBAGLBSA-N -1 0 326.824 3.512 20 0 EHADRM C[C@H](CC(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1)CC(C)(C)C ZINC001592252232 977482115 /nfs/dbraw/zinc/48/21/15/977482115.db2.gz MBYKRASHUIGLAE-GFCCVEGCSA-N -1 0 332.444 3.736 20 0 EHADRM C[C@H](CC(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1)c1cccc(F)c1 ZINC001592258386 977495985 /nfs/dbraw/zinc/49/59/85/977495985.db2.gz DPSSXQRRYFTAAG-RDTXWAMCSA-N -1 0 343.398 3.522 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)/C=C/c1cc(Cl)cc(Cl)c1)C1CC1 ZINC001592280263 977567841 /nfs/dbraw/zinc/56/78/41/977567841.db2.gz CKJJDLUDMJIHAR-OUGHUQCRSA-N -1 0 342.222 3.766 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000654793854 1014408067 /nfs/dbraw/zinc/40/80/67/1014408067.db2.gz NOHDFRJHBBVAOK-JSGCOSHPSA-N -1 0 332.400 3.635 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)Nc1cccc(-c2nccs2)c1)C1CC1 ZINC001592298997 977650223 /nfs/dbraw/zinc/65/02/23/977650223.db2.gz YBBYAKIXQKWPKM-QGZVFWFLSA-N -1 0 345.424 3.575 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCCc2cc(Cl)cc(Cl)c21 ZINC001592374944 977905221 /nfs/dbraw/zinc/90/52/21/977905221.db2.gz GVNIJQLMOQRCCB-VIFPVBQESA-N -1 0 330.211 3.774 20 0 EHADRM CSc1cc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])ccc1Cl ZINC000666114419 1032091930 /nfs/dbraw/zinc/09/19/30/1032091930.db2.gz XBTUOMXFJSBQNI-QWRGUYRKSA-N -1 0 325.817 3.667 20 0 EHADRM C[C@H](CC(=O)Oc1cccc2c(CC(=O)[O-])cccc12)C(F)(F)F ZINC001592437172 978079052 /nfs/dbraw/zinc/07/90/52/978079052.db2.gz JIMSHQMDNGLEKT-SNVBAGLBSA-N -1 0 340.297 3.961 20 0 EHADRM C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)Oc1cccc(C(=O)[O-])c1 ZINC001592438299 978082606 /nfs/dbraw/zinc/08/26/06/978082606.db2.gz RFKPDDZEAQJXBC-NSHDSACASA-N -1 0 346.766 3.853 20 0 EHADRM C[C@@H](CC(F)(F)F)C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001592451847 978138967 /nfs/dbraw/zinc/13/89/67/978138967.db2.gz HGWFBLYRRFBOPX-IINYFYTJSA-N -1 0 339.313 3.670 20 0 EHADRM C[C@@H](CC(F)(F)F)NC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001592454777 978168283 /nfs/dbraw/zinc/16/82/83/978168283.db2.gz RZLXDXUKVHDMPD-YFKPBYRVSA-N -1 0 342.676 3.640 20 0 EHADRM C[C@@H](CC1CCCCC1)C(=O)N1C[C@@H](C(=O)[O-])Oc2cc(F)ccc21 ZINC001592465288 978205890 /nfs/dbraw/zinc/20/58/90/978205890.db2.gz CUOQOMDANJWCPM-SJCJKPOMSA-N -1 0 349.402 3.611 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001592465650 978207421 /nfs/dbraw/zinc/20/74/21/978207421.db2.gz IJTMSPHHNUUIMT-CYBMUJFWSA-N -1 0 343.427 3.666 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1 ZINC001592465806 978209565 /nfs/dbraw/zinc/20/95/65/978209565.db2.gz NHDVUSZKTMJIAY-LLVKDONJSA-N -1 0 329.400 3.806 20 0 EHADRM C[C@@H](CCC(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC001592471464 978232546 /nfs/dbraw/zinc/23/25/46/978232546.db2.gz SEGUJQDDPJKXFD-QFBILLFUSA-N -1 0 339.435 3.773 20 0 EHADRM C[C@@H](CCC(C)(C)C)C(=O)N[C@](C)(Cc1ccc(F)cc1)C(=O)[O-] ZINC001592478598 978252608 /nfs/dbraw/zinc/25/26/08/978252608.db2.gz UOYPASLZHIQXMK-ORAYPTAESA-N -1 0 337.435 3.790 20 0 EHADRM C[C@@H](CCC(C)(C)C)C(=O)NCc1ccc(Cl)c(C(=O)[O-])n1 ZINC001592478894 978255234 /nfs/dbraw/zinc/25/52/34/978255234.db2.gz WXPSPOKLDUWWEJ-JTQLQIEISA-N -1 0 326.824 3.512 20 0 EHADRM C/C(=C/C(=O)N(CC(=O)[O-])Cc1ccccc1)c1ccccc1Cl ZINC000736118580 978303147 /nfs/dbraw/zinc/30/31/47/978303147.db2.gz WOKCXRWOUOXZPM-KAMYIIQDSA-N -1 0 343.810 3.857 20 0 EHADRM C[C@H](CCN1CCc2ccc(C(=O)[O-])cc21)OCc1ccccc1 ZINC001592512604 978336505 /nfs/dbraw/zinc/33/65/05/978336505.db2.gz ADCLGWIDDUFLGA-OAHLLOKOSA-N -1 0 325.408 3.743 20 0 EHADRM CC[C@@H](NC(=S)N1C[C@H](C(=O)[O-])c2ccccc21)c1cccs1 ZINC000736920282 978366052 /nfs/dbraw/zinc/36/60/52/978366052.db2.gz QDZYRSBGCLUWLB-QWHCGFSZSA-N -1 0 346.477 3.762 20 0 EHADRM CCCCCC(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000736984255 978370660 /nfs/dbraw/zinc/37/06/60/978370660.db2.gz KOIASHLKPXWMMQ-UHFFFAOYSA-N -1 0 332.169 3.805 20 0 EHADRM Cc1cc(COc2cccc(OCC(F)(F)F)c2)oc1C(=O)[O-] ZINC000738395181 978532443 /nfs/dbraw/zinc/53/24/43/978532443.db2.gz MKYBPXXBFOQJFP-UHFFFAOYSA-N -1 0 330.258 3.806 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-] ZINC001592605124 978549720 /nfs/dbraw/zinc/54/97/20/978549720.db2.gz HBEWYZJWUSVSLH-LAVFITLUSA-N -1 0 329.440 3.562 20 0 EHADRM Cc1cc(F)cc([N-]S(=O)(=O)c2cccc3c(C)ccnc32)c1 ZINC000547631734 1014506814 /nfs/dbraw/zinc/50/68/14/1014506814.db2.gz ULHZRGQOQHXDDD-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM C[C@](CNC(=O)CCC1CCCCCC1)(C(=O)[O-])c1ccccc1 ZINC001592646077 978624590 /nfs/dbraw/zinc/62/45/90/978624590.db2.gz PZDXPZHTVIHZGT-HXUWFJFHSA-N -1 0 331.456 3.896 20 0 EHADRM CCCC[C@@H](NC(=O)/C=C(/C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000753907478 978694762 /nfs/dbraw/zinc/69/47/62/978694762.db2.gz VKEHPIVDLNLGQT-IWMPZKFUSA-N -1 0 343.345 3.868 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000766844663 978727130 /nfs/dbraw/zinc/72/71/30/978727130.db2.gz ZSDFLGGPAHCEKH-CYBMUJFWSA-N -1 0 341.432 3.596 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(N3CCCC3)c(F)c2)c(F)c1 ZINC000774047396 978745226 /nfs/dbraw/zinc/74/52/26/978745226.db2.gz HUMVIZLVMMUMPF-UHFFFAOYSA-N -1 0 346.333 3.516 20 0 EHADRM COc1csc(C(=O)NCc2c3ccccc3sc2C(=O)[O-])c1 ZINC000776639156 978763708 /nfs/dbraw/zinc/76/37/08/978763708.db2.gz QFKCWPQCJRDYGU-UHFFFAOYSA-N -1 0 347.417 3.600 20 0 EHADRM CCN(C(=O)c1cccc(OCC(=O)[O-])c1)c1ccc2ccccc2c1 ZINC000776686398 978771429 /nfs/dbraw/zinc/77/14/29/978771429.db2.gz VPZAYTOZTLRSEF-UHFFFAOYSA-N -1 0 349.386 3.970 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000777381533 978778452 /nfs/dbraw/zinc/77/84/52/978778452.db2.gz YEIPFLKXBAOZOJ-QINSGFPZSA-N -1 0 345.439 3.640 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000777381177 978778476 /nfs/dbraw/zinc/77/84/76/978778476.db2.gz RCHWDBWELWLLDY-CQSZACIVSA-N -1 0 335.419 3.546 20 0 EHADRM CCS[C@H]1CCCCN(C(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000811817693 978861627 /nfs/dbraw/zinc/86/16/27/978861627.db2.gz ZJJIWZNZBOEHED-LBPRGKRZSA-N -1 0 341.860 3.786 20 0 EHADRM CCS[C@H]1CCCC[C@@H]1NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811821392 978865477 /nfs/dbraw/zinc/86/54/77/978865477.db2.gz DGCROUFRJUUZNF-KBPBESRZSA-N -1 0 341.860 3.832 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)OCC/C=C\c1ccc(Br)cc1 ZINC000827342097 978955774 /nfs/dbraw/zinc/95/57/74/978955774.db2.gz RKSNNHZARDWWKR-CJHWANRJSA-N -1 0 341.201 3.506 20 0 EHADRM C[C@H](c1ccccc1)[C@H](C)NC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000827672282 978963366 /nfs/dbraw/zinc/96/33/66/978963366.db2.gz SBYHLQXVXHIPEA-KBPBESRZSA-N -1 0 326.396 3.627 20 0 EHADRM CC1CC(C(=O)N(C)[C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000828156798 978972506 /nfs/dbraw/zinc/97/25/06/978972506.db2.gz SEFPKJYTTRXRLS-QDPIBXHXSA-N -1 0 330.211 3.624 20 0 EHADRM CC1CC(C(=O)N(C)[C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000828156800 978972897 /nfs/dbraw/zinc/97/28/97/978972897.db2.gz SEFPKJYTTRXRLS-RHYVWVDMSA-N -1 0 330.211 3.624 20 0 EHADRM CN(Cc1nc2ccccc2n1C(F)F)Cc1ccc(C(=O)[O-])cc1 ZINC000830819550 979021950 /nfs/dbraw/zinc/02/19/50/979021950.db2.gz VWZXHHKOPQBLGL-UHFFFAOYSA-N -1 0 345.349 3.762 20 0 EHADRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)C1CCCC1 ZINC000832848255 979050179 /nfs/dbraw/zinc/05/01/79/979050179.db2.gz WWMWWCLGJCCNLF-UHFFFAOYSA-N -1 0 326.190 3.584 20 0 EHADRM Cc1cc(NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cnc1Cl ZINC000832895471 979053071 /nfs/dbraw/zinc/05/30/71/979053071.db2.gz XCWRWLGBIPZZJG-UHFFFAOYSA-N -1 0 348.790 3.797 20 0 EHADRM Cc1ccc([C@@H](C)C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])o1 ZINC000832925447 979056506 /nfs/dbraw/zinc/05/65/06/979056506.db2.gz ZUZWUQWCVSHCAI-CJNGLKHVSA-N -1 0 329.396 3.660 20 0 EHADRM Cc1ccccc1CC1CN(C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000832981138 979064062 /nfs/dbraw/zinc/06/40/62/979064062.db2.gz ZSSHIIGANWHLCX-UHFFFAOYSA-N -1 0 338.407 3.708 20 0 EHADRM CC[C@H](C)c1nnc(N2CCC(C(=O)[O-])CC2)n1C[C@@H]1CCC[C@@H]1C ZINC001595017131 979077074 /nfs/dbraw/zinc/07/70/74/979077074.db2.gz COAAAWRWZOPJFI-DZKIICNBSA-N -1 0 348.491 3.529 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1Cn1c2cc(Cl)ccc2oc1=S ZINC000833211512 979119266 /nfs/dbraw/zinc/11/92/66/979119266.db2.gz JAYQZEDLDTZMHU-JTQLQIEISA-N -1 0 326.805 3.514 20 0 EHADRM CC[C@@H](C)n1ncc(C(=O)Nc2ccc(C(=O)[O-])cc2C)c1C1CC1 ZINC001595024241 979126435 /nfs/dbraw/zinc/12/64/35/979126435.db2.gz RLYUAXUFGWIIPE-GFCCVEGCSA-N -1 0 341.411 3.990 20 0 EHADRM CC[C@H](C)n1nc(N[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])cc1C ZINC001595024524 979128989 /nfs/dbraw/zinc/12/89/89/979128989.db2.gz XAOLYMQKTNQUFV-NHYWBVRUSA-N -1 0 335.835 3.924 20 0 EHADRM CC[C@@H](CC(=O)N(CCc1ccccc1)CC(=O)[O-])c1ccccc1 ZINC001595029552 979159766 /nfs/dbraw/zinc/15/97/66/979159766.db2.gz CQCVSXCXZHMUSO-SFHVURJKSA-N -1 0 339.435 3.726 20 0 EHADRM CC[C@@H](CC(C)C)C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC001595035404 979184333 /nfs/dbraw/zinc/18/43/33/979184333.db2.gz FLBYDVVQBXTUJO-NEPJUHHUSA-N -1 0 325.380 3.688 20 0 EHADRM CC[C@H](CC(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2)C(C)(C)C ZINC001595036393 979194947 /nfs/dbraw/zinc/19/49/47/979194947.db2.gz DDXIIFXAYXESSY-GHMZBOCLSA-N -1 0 338.473 3.734 20 0 EHADRM CC[C@H](CC(=O)Nc1sc2c(c1C(=O)[O-])CCOC2)C(C)C ZINC001595036944 979201090 /nfs/dbraw/zinc/20/10/90/979201090.db2.gz JTJIIGHJDMLVNU-SNVBAGLBSA-N -1 0 325.430 3.530 20 0 EHADRM CC[C@H](CC(=O)OCc1ccoc1C(=O)[O-])c1ccc(OC)cc1 ZINC001595037270 979205191 /nfs/dbraw/zinc/20/51/91/979205191.db2.gz WTYROLIDLXVFAH-GFCCVEGCSA-N -1 0 332.352 3.614 20 0 EHADRM CC[C@@H](CC(F)F)C(=O)N1CCCc2c(C(=O)[O-])ccc(C)c21 ZINC001595042861 979239967 /nfs/dbraw/zinc/23/99/67/979239967.db2.gz WVIWYHDOQQDWBN-NSHDSACASA-N -1 0 325.355 3.654 20 0 EHADRM O=C([O-])c1occc1CNCc1csc(CCc2ccccc2)n1 ZINC000833785321 979241442 /nfs/dbraw/zinc/24/14/42/979241442.db2.gz PNCYLQABQWVMOQ-UHFFFAOYSA-N -1 0 342.420 3.509 20 0 EHADRM CSCC[C@@H](C)NC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000836740622 979250764 /nfs/dbraw/zinc/25/07/64/979250764.db2.gz VFUZKMRMVIIAHQ-CYBMUJFWSA-N -1 0 343.448 3.923 20 0 EHADRM CCC(CC)(CC(=O)[O-])C(=O)OCc1csc(-c2ccoc2)n1 ZINC001595048730 979268109 /nfs/dbraw/zinc/26/81/09/979268109.db2.gz JTXKLTKVFZORAI-UHFFFAOYSA-N -1 0 337.397 3.727 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@H](C)CSCc1ccccc1 ZINC001595048963 979270615 /nfs/dbraw/zinc/27/06/15/979270615.db2.gz WMUUHSMPNZHBDD-CQSZACIVSA-N -1 0 337.485 3.706 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1ccccc1CC(F)(F)F ZINC001595050848 979281239 /nfs/dbraw/zinc/28/12/39/979281239.db2.gz ZUTVDFHMPGCJGA-UHFFFAOYSA-N -1 0 346.349 3.946 20 0 EHADRM CC(C)c1nn(C)c(Cl)c1C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000840944578 979283786 /nfs/dbraw/zinc/28/37/86/979283786.db2.gz FOFFVZBPDNPDFG-SNVBAGLBSA-N -1 0 349.818 3.637 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1cc(Cl)cc(C)c1OC ZINC001595051410 979283994 /nfs/dbraw/zinc/28/39/94/979283994.db2.gz ZKSIBTUDENXSKD-UHFFFAOYSA-N -1 0 342.823 3.812 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(-c2cccc(C)c2)n1C ZINC001595053295 979285327 /nfs/dbraw/zinc/28/53/27/979285327.db2.gz DLALRJULOPHCIX-UHFFFAOYSA-N -1 0 342.439 3.764 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000841774165 979309091 /nfs/dbraw/zinc/30/90/91/979309091.db2.gz RGWHXNZWXREFFM-DYVFJYSZSA-N -1 0 341.382 3.609 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000841774144 979309428 /nfs/dbraw/zinc/30/94/28/979309428.db2.gz RGWHXNZWXREFFM-CXAGYDPISA-N -1 0 341.382 3.609 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2nc(Cc3ccccc3)cs2)C1 ZINC000842571955 979320408 /nfs/dbraw/zinc/32/04/08/979320408.db2.gz ZLPFEWVDGIQLKI-ZIAGYGMSSA-N -1 0 344.436 3.563 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cc(C)c(Cl)c(C)c1)C(=O)[O-] ZINC001595070375 979338548 /nfs/dbraw/zinc/33/85/48/979338548.db2.gz MYBXYVXQGVWBPO-UHFFFAOYSA-N -1 0 326.824 3.969 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)/C=C/C2CCCCCC2)c1OC ZINC000846114446 979404917 /nfs/dbraw/zinc/40/49/17/979404917.db2.gz LHDPKVISSLCLBN-MDZDMXLPSA-N -1 0 347.411 3.867 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)/C=C/C2CCCC2)cc1 ZINC000846116361 979405865 /nfs/dbraw/zinc/40/58/65/979405865.db2.gz GIBUTBKSUOAEBE-HKUPYCBJSA-N -1 0 333.453 3.787 20 0 EHADRM CCC(CC)[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC001595106215 979429614 /nfs/dbraw/zinc/42/96/14/979429614.db2.gz YTDLGXYEOMVCNI-BMIGLBTASA-N -1 0 341.835 3.663 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)N[C@H](C(=O)[O-])c2cccs2)cc1 ZINC001595121415 979491092 /nfs/dbraw/zinc/49/10/92/979491092.db2.gz LLIZYUQKBMCHTF-INIZCTEOSA-N -1 0 347.436 3.871 20 0 EHADRM CCC(CC)c1noc(-c2cc(C(=O)[O-])nn2-c2ccccc2)n1 ZINC001595121939 979498561 /nfs/dbraw/zinc/49/85/61/979498561.db2.gz FVEOYORRNAGVDB-UHFFFAOYSA-N -1 0 326.356 3.524 20 0 EHADRM CCC[C@H](Cc1ccccc1)NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851596588 979511263 /nfs/dbraw/zinc/51/12/63/979511263.db2.gz STGZAFBDQKCHKB-KUGGDMIFSA-N -1 0 327.380 3.519 20 0 EHADRM CC(C)(CC(=O)[O-])NC(=O)c1cc2cc(C(F)(F)F)ccc2s1 ZINC000851597681 979514259 /nfs/dbraw/zinc/51/42/59/979514259.db2.gz XKOXBAPGJBCGKG-UHFFFAOYSA-N -1 0 345.342 3.903 20 0 EHADRM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000274702245 1014581450 /nfs/dbraw/zinc/58/14/50/1014581450.db2.gz OBSYZOLXHIBWGI-ZETCQYMHSA-N -1 0 326.755 3.922 20 0 EHADRM CC[C@@H]1c2ccccc2CCN1C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851602762 979523262 /nfs/dbraw/zinc/52/32/62/979523262.db2.gz ZTGXNLGFWVFWJF-SIJIIQCFSA-N -1 0 325.364 3.527 20 0 EHADRM CN(C(=O)c1ccc(/C=C/C(=O)[O-])o1)[C@@H]1CCCc2ccccc21 ZINC000851602511 979523656 /nfs/dbraw/zinc/52/36/56/979523656.db2.gz VVXMSEQYJLMOIO-YBHKSSGVSA-N -1 0 325.364 3.527 20 0 EHADRM C[C@H]1CCCN(C(=O)c2ccc(/C=C/C(=O)[O-])o2)c2ccccc21 ZINC000851602856 979524649 /nfs/dbraw/zinc/52/46/49/979524649.db2.gz BTSRLIBXLXHILU-STRFDMGBSA-N -1 0 325.364 3.922 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)c1ccc(/C=C/C(=O)[O-])o1)CC2 ZINC000851605875 979530184 /nfs/dbraw/zinc/53/01/84/979530184.db2.gz NTIRUGJRFBMFJA-PYUISTEWSA-N -1 0 339.391 3.918 20 0 EHADRM C[C@H](CSC(F)(F)F)C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC001592824152 979535834 /nfs/dbraw/zinc/53/58/34/979535834.db2.gz FKCWSOJMNNNSJS-ZYHUDNBSSA-N -1 0 349.374 3.598 20 0 EHADRM O=C([O-])C[C@H](CNC(=O)c1ccccc1SC(F)(F)F)C1CC1 ZINC000851620430 979550288 /nfs/dbraw/zinc/55/02/88/979550288.db2.gz NTWXPFOLYZWAAH-SNVBAGLBSA-N -1 0 347.358 3.529 20 0 EHADRM CC[C@@](CNC(=O)C1(C)CCC(C)CC1)(C(=O)[O-])c1ccccc1 ZINC001595138687 979583139 /nfs/dbraw/zinc/58/31/39/979583139.db2.gz MKABWRMEBSWRSH-OAAAQFAESA-N -1 0 331.456 3.752 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)CC[C@H]2CC2(Cl)Cl)c2ccccc21 ZINC000852945517 979586976 /nfs/dbraw/zinc/58/69/76/979586976.db2.gz QIHGXPHOMMQJJF-JQWIXIFHSA-N -1 0 342.222 3.566 20 0 EHADRM CC[C@](CNC(=O)[C@H]1CCC=CCCC1)(C(=O)[O-])c1ccccc1 ZINC001595139100 979588090 /nfs/dbraw/zinc/58/80/90/979588090.db2.gz AOENIFITZLDBOH-OXJNMPFZSA-N -1 0 329.440 3.672 20 0 EHADRM CC[C@H](CNC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC001595139204 979588745 /nfs/dbraw/zinc/58/87/45/979588745.db2.gz FCIVUCGMWDFIAL-ZJNQMXKESA-N -1 0 347.411 3.794 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)OC1CC(CC(=O)[O-])C1 ZINC001592840383 979606077 /nfs/dbraw/zinc/60/60/77/979606077.db2.gz ZCNJFCYFYXRAGF-JBLZRFIASA-N -1 0 345.222 3.969 20 0 EHADRM O=C([O-])c1ccc(NC(=O)/C=C\C2CCCC2)c(OC(F)F)c1 ZINC000856941865 979613059 /nfs/dbraw/zinc/61/30/59/979613059.db2.gz UKGCADADKXQMBX-YVMONPNESA-N -1 0 325.311 3.671 20 0 EHADRM CC[C@@H](CNC(=O)Nc1ccc2nc(C(C)(C)C)sc2c1)C(=O)[O-] ZINC001595153760 979655679 /nfs/dbraw/zinc/65/56/79/979655679.db2.gz GRJKUHYRYVREHW-JTQLQIEISA-N -1 0 349.456 3.826 20 0 EHADRM CC[C@H](CNC(=O)Nc1cccc(-c2ccc(F)c(F)c2)c1)C(=O)[O-] ZINC001595154173 979658289 /nfs/dbraw/zinc/65/82/89/979658289.db2.gz JLJLKFQYFANXLF-LLVKDONJSA-N -1 0 348.349 3.864 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N2CC=CC23CCCC3)cc1)C(=O)[O-] ZINC001592860686 979693043 /nfs/dbraw/zinc/69/30/43/979693043.db2.gz LHPBINXTNWESDY-AWEZNQCLSA-N -1 0 328.412 3.666 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)o1 ZINC000864109001 979698371 /nfs/dbraw/zinc/69/83/71/979698371.db2.gz KUEORJFLHYUVCG-FYGXRCCRSA-N -1 0 343.354 3.788 20 0 EHADRM CCC[C@@](C)(NC(=O)/C=C\c1ccsc1C(F)(F)F)C(=O)[O-] ZINC000864113116 979705257 /nfs/dbraw/zinc/70/52/57/979705257.db2.gz OQOLFZOLAOUJTM-DSYXLKISSA-N -1 0 335.347 3.540 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)NCC(F)(F)C(C)(C)C)cc1)C(=O)[O-] ZINC001592866995 979713517 /nfs/dbraw/zinc/71/35/17/979713517.db2.gz NJLHVOQCMRXLKA-NSHDSACASA-N -1 0 342.386 3.753 20 0 EHADRM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000864123359 979721903 /nfs/dbraw/zinc/72/19/03/979721903.db2.gz MUPHHFNESHGSRI-GWNIPJSYSA-N -1 0 329.421 3.508 20 0 EHADRM CN(C(=O)/C=C/c1cc(C(=O)[O-])co1)[C@H]1CCCc2ccccc21 ZINC000864124919 979724553 /nfs/dbraw/zinc/72/45/53/979724553.db2.gz LGZAJDZYGZOBAR-FVNWOWOISA-N -1 0 325.364 3.527 20 0 EHADRM O=C([O-])c1coc(/C=C\C(=O)N2CCC[C@@H]2CCc2ccccc2)c1 ZINC000864125558 979725173 /nfs/dbraw/zinc/72/51/73/979725173.db2.gz XCVBWPZILSNVMK-QXPKXGMISA-N -1 0 339.391 3.615 20 0 EHADRM Cc1ccc(C)c([C@H]2CCCN2C(=O)/C=C\c2cc(C(=O)[O-])co2)c1 ZINC000864130014 979731292 /nfs/dbraw/zinc/73/12/92/979731292.db2.gz QLBGDGZCKROUMY-JTHGQSKGSA-N -1 0 339.391 3.972 20 0 EHADRM C[C@H](CCc1ccc(F)cc1)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000864137657 979740518 /nfs/dbraw/zinc/74/05/18/979740518.db2.gz FTOYYKXBPOJTAZ-DYVFJYSZSA-N -1 0 341.382 3.609 20 0 EHADRM CC(C)(CC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21)c1ccc(F)cc1 ZINC000864137936 979741146 /nfs/dbraw/zinc/74/11/46/979741146.db2.gz PVFGOVHXMBQHAZ-MRXNPFEDSA-N -1 0 341.382 3.708 20 0 EHADRM CCN(C(=O)/C=C\c1cc(C(=O)[O-])co1)[C@H](C)Cc1ccsc1 ZINC000864142770 979748088 /nfs/dbraw/zinc/74/80/88/979748088.db2.gz PZECCAIISUTHBW-QMAVJUDZSA-N -1 0 333.409 3.532 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)N[C@@H](CC(=O)[O-])C1CCCC1 ZINC001592883417 979760392 /nfs/dbraw/zinc/76/03/92/979760392.db2.gz QMMBMLCTAWKIGJ-WBMJQRKESA-N -1 0 337.847 3.668 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-] ZINC001592885946 979772257 /nfs/dbraw/zinc/77/22/57/979772257.db2.gz UUOLAEONQWPQSP-HUUCEWRRSA-N -1 0 343.398 3.506 20 0 EHADRM O=C([O-])c1c[nH]c2cc(NC(=O)C3([C@@H]4CCCCO4)CCC3)ccc21 ZINC000864160329 979775549 /nfs/dbraw/zinc/77/55/49/979775549.db2.gz AFNQHLALEAEOIX-INIZCTEOSA-N -1 0 342.395 3.544 20 0 EHADRM C[C@@](Cc1ccccc1)(NC(=O)Nc1ccc(C(=O)[O-])s1)C1CC1 ZINC001592892072 979788937 /nfs/dbraw/zinc/78/89/37/979788937.db2.gz RVVNKZCKGFQFTF-SFHVURJKSA-N -1 0 344.436 3.979 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)/C=C/C2CCCCC2)cc1F)C(=O)[O-] ZINC000864170271 979797930 /nfs/dbraw/zinc/79/79/30/979797930.db2.gz AIGTVLAIKCOENK-PMDBQALLSA-N -1 0 335.375 3.753 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)/C=C\C2CCCCC2)cc1F)C(=O)[O-] ZINC000864170273 979798127 /nfs/dbraw/zinc/79/81/27/979798127.db2.gz AIGTVLAIKCOENK-UMAGTOLTSA-N -1 0 335.375 3.753 20 0 EHADRM CC[C@H](COC(=O)c1ccc(-c2nc3ccccc3s2)o1)C(=O)[O-] ZINC001595184023 979824858 /nfs/dbraw/zinc/82/48/58/979824858.db2.gz VORPZMIXOFTNGD-SNVBAGLBSA-N -1 0 345.376 3.824 20 0 EHADRM Cc1noc(C(C)C)c1C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000864190315 979842026 /nfs/dbraw/zinc/84/20/26/979842026.db2.gz XHGAJMZNDHJWSJ-UONOGXRCSA-N -1 0 328.368 3.547 20 0 EHADRM C[C@@H](Cc1ccsc1)NC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001592906162 979843307 /nfs/dbraw/zinc/84/33/07/979843307.db2.gz LVMTXQCWRDWJGG-STQMWFEESA-N -1 0 346.452 3.764 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N[C@@](C)(CC(=O)[O-])C3CC3)s2)o1 ZINC000864204468 979886799 /nfs/dbraw/zinc/88/67/99/979886799.db2.gz ZWAAKSBTEKRIBX-KRWDZBQOSA-N -1 0 333.409 3.690 20 0 EHADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)Cc1ccc(C3CCCCC3)cc1)C2 ZINC000864210965 979895479 /nfs/dbraw/zinc/89/54/79/979895479.db2.gz BVFHRAWITRWHBQ-LQWHRVPQSA-N -1 0 341.451 3.646 20 0 EHADRM C[C@@H]1CCn2ncc(C(=O)Nc3cc4ccccc4c(C(=O)[O-])c3)c2C1 ZINC000864224683 979909663 /nfs/dbraw/zinc/90/96/63/979909663.db2.gz GFICENYUXIJJRJ-GFCCVEGCSA-N -1 0 349.390 3.569 20 0 EHADRM CC[C@@H](CSCC(=O)Nc1ccc(C(=O)[O-])cc1)CC(F)F ZINC001595202505 979954848 /nfs/dbraw/zinc/95/48/48/979954848.db2.gz CDQHSJQQODRVCR-SNVBAGLBSA-N -1 0 331.384 3.738 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N(CC1CC1)[C@@](C)(CC)C(=O)[O-] ZINC001595210694 979985234 /nfs/dbraw/zinc/98/52/34/979985234.db2.gz JJEHMMMYYKOBTQ-XLIONFOSSA-N -1 0 331.456 3.747 20 0 EHADRM CC(C)(COC(=O)Cn1cc(C(=O)[O-])c2ccccc21)C(C)(F)F ZINC001592934450 979992353 /nfs/dbraw/zinc/99/23/53/979992353.db2.gz KMWSYWBKTNUYLL-UHFFFAOYSA-N -1 0 339.338 3.564 20 0 EHADRM CC(F)(F)c1ccc(C(=O)N(CC(=O)[O-])Cc2ccccc2)cc1 ZINC001592944229 980019945 /nfs/dbraw/zinc/01/99/45/980019945.db2.gz VKYFISDRGOQXPK-UHFFFAOYSA-N -1 0 333.334 3.525 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001595219278 980037984 /nfs/dbraw/zinc/03/79/84/980037984.db2.gz NJYIUSQGCLRZKS-MRXNPFEDSA-N -1 0 325.408 3.578 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC001595219400 980039431 /nfs/dbraw/zinc/03/94/31/980039431.db2.gz OOBVHNMRMWPJJM-OAHLLOKOSA-N -1 0 344.382 3.936 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)Nc1cc(C)c(C(=O)[O-])cn1 ZINC001595219789 980041959 /nfs/dbraw/zinc/04/19/59/980041959.db2.gz RNWXESSMMMEQHK-CQSZACIVSA-N -1 0 326.396 3.604 20 0 EHADRM CCC(F)(F)c1ccccc1NC(=O)NCc1ccoc1C(=O)[O-] ZINC001595226312 980075836 /nfs/dbraw/zinc/07/58/36/980075836.db2.gz RXEIYOKMOVKFNC-UHFFFAOYSA-N -1 0 338.310 3.801 20 0 EHADRM CC[C@@](NC(=O)C1=CC[C@@H](C)CC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595237129 980142063 /nfs/dbraw/zinc/14/20/63/980142063.db2.gz YICFTJCJOGMRAX-XIKOKIGWSA-N -1 0 335.831 3.893 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1cccc(COc2ccccc2)c1 ZINC000872837795 980158890 /nfs/dbraw/zinc/15/88/90/980158890.db2.gz LHCJWTDPVZZOBN-AWEZNQCLSA-N -1 0 327.380 3.705 20 0 EHADRM CC[C@@H](NC(=O)NC[C@H](CC(=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC001595248955 980200443 /nfs/dbraw/zinc/20/04/43/980200443.db2.gz FBNTUIFJPKKBLY-DZGCQCFKSA-N -1 0 338.835 3.591 20 0 EHADRM C[C@H](NC(=O)/C(F)=C/C1CCCCC1)c1ccc(OCC(=O)[O-])cc1 ZINC001592994488 980204788 /nfs/dbraw/zinc/20/47/88/980204788.db2.gz ZTRMHFSGGDXGBW-MFVBVHDHSA-N -1 0 349.402 3.761 20 0 EHADRM C[C@@H](NC(=O)C12CCC(C(=O)[O-])(CC1)CC2)C1CCC(F)(F)CC1 ZINC001592998123 980206874 /nfs/dbraw/zinc/20/68/74/980206874.db2.gz HLQVPZVNUPMKPB-AXOLYNHLSA-N -1 0 343.414 3.742 20 0 EHADRM C[C@@H](NC(=O)C12CCC(C(=O)[O-])(CC1)C2)c1ccc(Cl)c(F)c1 ZINC001592999202 980212338 /nfs/dbraw/zinc/21/23/38/980212338.db2.gz WOVSLHIHUSBAEE-OSWGYVBTSA-N -1 0 339.794 3.691 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)C[C@H]2CCC3(CCC3)CO2)cc1 ZINC000887325232 980216329 /nfs/dbraw/zinc/21/63/29/980216329.db2.gz JVQDYOZGZRHCTI-XJKSGUPXSA-N -1 0 331.412 3.553 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCCCC1(C)C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593007126 980224763 /nfs/dbraw/zinc/22/47/63/980224763.db2.gz KRIMLZDYPLHELM-XIRDDKMYSA-N -1 0 331.456 3.651 20 0 EHADRM CC[C@H](NC(=O)Nc1cc(C(=O)[O-])c(C)cc1C)c1nccs1 ZINC001595253074 980226380 /nfs/dbraw/zinc/22/63/80/980226380.db2.gz UAUWKVFRSNEDER-LBPRGKRZSA-N -1 0 333.413 3.731 20 0 EHADRM CC[C@@H](NC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)[C@@H]1CC1(C)C ZINC001595253105 980227425 /nfs/dbraw/zinc/22/74/25/980227425.db2.gz UGZIQXRERHEMJS-UONOGXRCSA-N -1 0 329.400 3.812 20 0 EHADRM Cc1nc(CN[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)sc1C ZINC000900029738 980237278 /nfs/dbraw/zinc/23/72/78/980237278.db2.gz YOEXAWRRFXINEO-ZDUSSCGKSA-N -1 0 344.358 3.694 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccccc1OC ZINC001595257085 980243347 /nfs/dbraw/zinc/24/33/47/980243347.db2.gz OICCDPQWZQVCOS-HNNXBMFYSA-N -1 0 328.368 3.666 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1c1nc(C(F)F)nc2ccc(F)cc21 ZINC000900964961 980255687 /nfs/dbraw/zinc/25/56/87/980255687.db2.gz JAHRLOHZFIXJLQ-JTQLQIEISA-N -1 0 339.317 3.540 20 0 EHADRM C[C@H](NC(=O)CCC[Si](C)(C)C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593019376 980269910 /nfs/dbraw/zinc/26/99/10/980269910.db2.gz RPWCLVOODWEUKK-HOCLYGCPSA-N -1 0 335.520 3.553 20 0 EHADRM CC[C@@](NC(=O)c1cc2c(s1)CCCC2)(C(=O)[O-])c1ccccc1 ZINC001595265722 980276304 /nfs/dbraw/zinc/27/63/04/980276304.db2.gz AEPADGPGATWGED-IBGZPJMESA-N -1 0 343.448 3.747 20 0 EHADRM CC[C@](NC(=O)c1ccc(C)c(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC001595269094 980282895 /nfs/dbraw/zinc/28/28/95/980282895.db2.gz KFJSZNJVBRWYHW-GOSISDBHSA-N -1 0 331.799 3.768 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(N[C@H]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000901513627 980329981 /nfs/dbraw/zinc/32/99/81/980329981.db2.gz OXBRUSGLZUBAQI-STQMWFEESA-N -1 0 331.334 3.571 20 0 EHADRM C[C@H](NC(=O)N1CCC(CC(=O)[O-])CC1)c1cccc2ccccc21 ZINC001593054771 980364832 /nfs/dbraw/zinc/36/48/32/980364832.db2.gz NXAJLRNUKIBJPS-AWEZNQCLSA-N -1 0 340.423 3.797 20 0 EHADRM O=C([O-])c1ccc2[nH]c3c(c2c1)CN(Cc1nc(Cl)cs1)CC3 ZINC000901585572 980393253 /nfs/dbraw/zinc/39/32/53/980393253.db2.gz BIKZEISDWJFRFE-UHFFFAOYSA-N -1 0 347.827 3.534 20 0 EHADRM Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000901638262 980419460 /nfs/dbraw/zinc/41/94/60/980419460.db2.gz COLMBBAGSVPAHW-OKZBNKHCSA-N -1 0 335.403 3.704 20 0 EHADRM O=C([O-])CCN(Cc1nc(Cl)cs1)Cc1ccc(F)c(F)c1 ZINC000901655012 980430468 /nfs/dbraw/zinc/43/04/68/980430468.db2.gz JYGRLLITLMRSBT-UHFFFAOYSA-N -1 0 346.786 3.552 20 0 EHADRM CC[C@@](NCc1noc2c1CC(C)(C)CC2)(C(=O)[O-])c1ccccc1 ZINC001595306229 980456944 /nfs/dbraw/zinc/45/69/44/980456944.db2.gz XCUZQFGXTGKFBV-FQEVSTJZSA-N -1 0 342.439 3.669 20 0 EHADRM CC[C@@H](Nc1ccc(NC(=O)COC)cc1)c1ccc(C(=O)[O-])cc1 ZINC001595318677 980501575 /nfs/dbraw/zinc/50/15/75/980501575.db2.gz PAOOVFJPJZGQHW-QGZVFWFLSA-N -1 0 342.395 3.533 20 0 EHADRM CC[C@@H](Nc1ccc(OCCOC)cc1)c1ccc(C(=O)[O-])cc1 ZINC001595319124 980505642 /nfs/dbraw/zinc/50/56/42/980505642.db2.gz ZWTIDRTUXSAGGC-GOSISDBHSA-N -1 0 329.396 3.973 20 0 EHADRM CC[C@](O)(CC(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1)c1ccccc1 ZINC001595321216 980508186 /nfs/dbraw/zinc/50/81/86/980508186.db2.gz GMIQXVZZDIOPPH-YJYMSZOUSA-N -1 0 346.379 3.578 20 0 EHADRM COCCOc1ccccc1CNc1cccc([C@H](C)C(=O)[O-])c1 ZINC000901816086 980536644 /nfs/dbraw/zinc/53/66/44/980536644.db2.gz SUDBBGGJXDMIHN-AWEZNQCLSA-N -1 0 329.396 3.512 20 0 EHADRM COc1cc2c(c(CNc3cccc([C@H](C)C(=O)[O-])c3)c1)O[C@H](C)C2 ZINC000901818516 980538137 /nfs/dbraw/zinc/53/81/37/980538137.db2.gz XNSNBJHRWJHDBB-OLZOCXBDSA-N -1 0 341.407 3.819 20 0 EHADRM CC(C)N(C)c1ccc(CNc2cccc([C@H](C)C(=O)[O-])c2)cn1 ZINC000901818257 980538145 /nfs/dbraw/zinc/53/81/45/980538145.db2.gz WKEYGLRYRWDYEY-AWEZNQCLSA-N -1 0 327.428 3.726 20 0 EHADRM Cc1ccc([C@H](NCc2cnc([C@H]3CCCO3)s2)C(=O)[O-])cc1C ZINC000901852118 980577767 /nfs/dbraw/zinc/57/77/67/980577767.db2.gz XLQSFDKVGPCTQN-CVEARBPZSA-N -1 0 346.452 3.527 20 0 EHADRM CC[C@@H](OC(=O)c1cc(-c2ccccc2)nc2ccccc21)C(=O)[O-] ZINC001595345184 980630189 /nfs/dbraw/zinc/63/01/89/980630189.db2.gz QNBJQQVYGVUKST-GOSISDBHSA-N -1 0 335.359 3.922 20 0 EHADRM C[C@@H]1CCN(Cc2cnc(-c3ccccc3F)s2)[C@@H](C(=O)[O-])C1 ZINC000902011503 980689789 /nfs/dbraw/zinc/68/97/89/980689789.db2.gz KCRZGFCULOLVGF-IAQYHMDHSA-N -1 0 334.416 3.634 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001595354913 980696800 /nfs/dbraw/zinc/69/68/00/980696800.db2.gz HWHAGJDBMXGMHZ-LBTNJELSSA-N -1 0 345.439 3.648 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)N(Cc1ccccc1)C(C)(C)C(=O)[O-] ZINC001595355054 980698437 /nfs/dbraw/zinc/69/84/37/980698437.db2.gz MLANMMSZDHKUFP-KRWDZBQOSA-N -1 0 347.455 3.616 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-] ZINC001595355565 980703100 /nfs/dbraw/zinc/70/31/00/980703100.db2.gz DGHHQIQSJHZBKF-MRXNPFEDSA-N -1 0 341.492 3.710 20 0 EHADRM CC[C@@H](OCCOc1ccc(C(=O)[O-])cc1OC)c1ccccc1 ZINC001595357232 980719813 /nfs/dbraw/zinc/71/98/13/980719813.db2.gz WDCUPVIIPPJAJZ-MRXNPFEDSA-N -1 0 330.380 3.940 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001595359301 980740307 /nfs/dbraw/zinc/74/03/07/980740307.db2.gz WOFXVIQAUWIMPS-RDJZCZTQSA-N -1 0 349.496 3.955 20 0 EHADRM O=C([O-])c1coc(CN[C@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000902160629 980762271 /nfs/dbraw/zinc/76/22/71/980762271.db2.gz MYMFJXXHGFYKNB-CYBMUJFWSA-N -1 0 331.265 3.900 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@H]1Cc2ccc(F)cc21 ZINC001595361894 980766880 /nfs/dbraw/zinc/76/68/80/980766880.db2.gz QXGSCKUAVNYXRP-ROUUACIJSA-N -1 0 341.382 3.530 20 0 EHADRM Cc1c(NCc2cc(C(=O)[O-])cs2)cccc1C(=O)N1CCCC1 ZINC000902201118 980780128 /nfs/dbraw/zinc/78/01/28/980780128.db2.gz SOMDWOBITPKKMG-UHFFFAOYSA-N -1 0 344.436 3.603 20 0 EHADRM CC[C@H](c1nnc(NCc2c[nH]c(C(=O)[O-])c2)s1)c1ccccc1 ZINC001595363612 980783956 /nfs/dbraw/zinc/78/39/56/980783956.db2.gz FEFZEPKMJAALAY-ZDUSSCGKSA-N -1 0 342.424 3.718 20 0 EHADRM Cc1noc(C)c1CC[NH2+]Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000902233994 980793639 /nfs/dbraw/zinc/79/36/39/980793639.db2.gz MBUCYIIFRGVXOM-UHFFFAOYSA-N -1 0 340.379 3.582 20 0 EHADRM CC(=O)NCc1ccc(N[C@@H]2CCC[C@@H](CCCC(=O)[O-])C2)cc1 ZINC000902234990 980794722 /nfs/dbraw/zinc/79/47/22/980794722.db2.gz RMGONSXGTJTGLB-MAUKXSAKSA-N -1 0 332.444 3.548 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(C)C)C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001595364746 980797691 /nfs/dbraw/zinc/79/76/91/980797691.db2.gz XDDLMVIZKGOAEJ-BZZMCLGOSA-N -1 0 347.455 3.501 20 0 EHADRM CCc1nc([C@H](C)NCc2ccnc3c(C(=O)[O-])cccc23)cs1 ZINC000902253424 980799703 /nfs/dbraw/zinc/79/97/03/980799703.db2.gz UVUHNPJYMRAMBC-NSHDSACASA-N -1 0 341.436 3.803 20 0 EHADRM CC[C@@]1(C)CCCN(C(=O)Nc2cc(COC)cc(C(=O)[O-])c2)C1 ZINC001595368539 980827927 /nfs/dbraw/zinc/82/79/27/980827927.db2.gz FLPXCLUMKRPMOZ-SFHVURJKSA-N -1 0 334.416 3.575 20 0 EHADRM CCc1cnc(CNCc2ccc(C(=O)[O-])cc2C(F)(F)F)s1 ZINC000902343450 980841797 /nfs/dbraw/zinc/84/17/97/980841797.db2.gz YCJMMTGFRXFIEB-UHFFFAOYSA-N -1 0 344.358 3.712 20 0 EHADRM CC[C@]1(C)Oc2ccc(NC(=O)c3ccc(C(=O)[O-])c(F)c3)cc2O1 ZINC001595372462 980862395 /nfs/dbraw/zinc/86/23/95/980862395.db2.gz JGKMCBJGINCRQE-GOSISDBHSA-N -1 0 345.326 3.674 20 0 EHADRM CCC1(CNC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CCCCC1 ZINC001595378944 980915975 /nfs/dbraw/zinc/91/59/75/980915975.db2.gz QRADRJCAXKEOIL-UHFFFAOYSA-N -1 0 336.407 3.935 20 0 EHADRM CC[C@@H]1[C@@H](C)CCN1C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001595404976 980984366 /nfs/dbraw/zinc/98/43/66/980984366.db2.gz NQHOHADAGLLPKE-IMJJTQAJSA-N -1 0 332.444 3.669 20 0 EHADRM CC[C@@H]1C[C@H](C)CN1C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001595409116 981005446 /nfs/dbraw/zinc/00/54/46/981005446.db2.gz SHFHEASTIJHCQS-QWHCGFSZSA-N -1 0 334.416 3.824 20 0 EHADRM CC[C@H]1C[C@@H](CC(=O)Nc2ccc(Cl)cc2C(=O)[O-])CCO1 ZINC001595412794 981011627 /nfs/dbraw/zinc/01/16/27/981011627.db2.gz FGSQCJQECYDMOT-JQWIXIFHSA-N -1 0 325.792 3.572 20 0 EHADRM CCC1CCC(CNC(=O)Nc2ccc(C(=O)[O-])cc2N(C)C)CC1 ZINC001595415601 981029299 /nfs/dbraw/zinc/02/92/99/981029299.db2.gz HSOGXIPXRDQOKS-UHFFFAOYSA-N -1 0 347.459 3.789 20 0 EHADRM CCC1CCC(NCc2noc3c2CC(C)(C)CC3)(C(=O)[O-])CC1 ZINC001595430979 981050418 /nfs/dbraw/zinc/05/04/18/981050418.db2.gz DKMARDBVORFIAR-UHFFFAOYSA-N -1 0 334.460 3.703 20 0 EHADRM C[C@H](c1ncc(C(C)(C)C)o1)N1CCOc2cc(C(=O)[O-])ccc2C1 ZINC000903958695 981075117 /nfs/dbraw/zinc/07/51/17/981075117.db2.gz JIBOEGIJOMUFAG-GFCCVEGCSA-N -1 0 344.411 3.626 20 0 EHADRM CC[C@@H]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1c1ccc(C(=O)[O-])n1C ZINC001595441890 981081030 /nfs/dbraw/zinc/08/10/30/981081030.db2.gz VHLUSLWPKCBYFL-BFYDXBDKSA-N -1 0 346.471 3.993 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1CNC(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001595442102 981082196 /nfs/dbraw/zinc/08/21/96/981082196.db2.gz YJPZRUZDNLKWRQ-RHSMWYFYSA-N -1 0 344.455 3.669 20 0 EHADRM CC[C@H]1CCCC[C@@H]1OCC(=O)OC1CCC(CC(=O)[O-])CC1 ZINC001595448486 981098966 /nfs/dbraw/zinc/09/89/66/981098966.db2.gz RBCMQKULOMRQJJ-GRAKBVBRSA-N -1 0 326.433 3.549 20 0 EHADRM Cc1ccc([C@H](NCc2nc(C(F)(F)F)cs2)C(=O)[O-])cc1C ZINC000905380474 981101944 /nfs/dbraw/zinc/10/19/44/981101944.db2.gz KUULXAQLGNGRFO-ZDUSSCGKSA-N -1 0 344.358 3.694 20 0 EHADRM CC[C@@H]1CCC[C@@H]1NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001595451707 981109407 /nfs/dbraw/zinc/10/94/07/981109407.db2.gz GKHXKWPDTHPNJN-KBMXLJTQSA-N -1 0 332.444 3.716 20 0 EHADRM CC[C@@H]1CCCN(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)C1 ZINC001595453639 981119472 /nfs/dbraw/zinc/11/94/72/981119472.db2.gz SZLAMVQRSLOTDI-SECBINFHSA-N -1 0 328.771 3.831 20 0 EHADRM O=C([O-])c1ccc(CNCc2nc3c(s2)CCCC3)cc1Cl ZINC000905730200 981129146 /nfs/dbraw/zinc/12/91/46/981129146.db2.gz OHRKVHNPVISSPX-UHFFFAOYSA-N -1 0 336.844 3.663 20 0 EHADRM CCOc1ccc2ccccc2c1C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000907553087 981187739 /nfs/dbraw/zinc/18/77/39/981187739.db2.gz AVBREAPAGJZIRX-UHFFFAOYSA-N -1 0 341.407 3.565 20 0 EHADRM CCOc1ccc2ccccc2c1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000907586052 981197163 /nfs/dbraw/zinc/19/71/63/981197163.db2.gz LDNKKLSFYNTSHH-UHFFFAOYSA-N -1 0 341.407 3.612 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)c3ccccc3Cc3ccccc3)[C@@H]2C1 ZINC000907925642 981239222 /nfs/dbraw/zinc/23/92/22/981239222.db2.gz OJYYWMYCIBAPFI-LFGUQSLTSA-N -1 0 349.430 3.507 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC000908277920 981294215 /nfs/dbraw/zinc/29/42/15/981294215.db2.gz NSJDINKDLXNEDR-GDBMZVCRSA-N -1 0 347.455 3.586 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)Cc1cccc(C(F)F)c1)CC1CCCC1 ZINC000908289902 981297165 /nfs/dbraw/zinc/29/71/65/981297165.db2.gz UYCOZSHMVKJKHD-OAHLLOKOSA-N -1 0 339.382 3.564 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)CCc2cccc(Cl)c2)CCC1 ZINC000908342428 981305234 /nfs/dbraw/zinc/30/52/34/981305234.db2.gz JEFBDQRGHNBGGM-UHFFFAOYSA-N -1 0 337.847 3.814 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)C2(c3cccc(F)c3)CCCCC2)C1 ZINC000908366991 981308724 /nfs/dbraw/zinc/30/87/24/981308724.db2.gz KGNDEQXQEWYVBF-PBHICJAKSA-N -1 0 347.430 3.787 20 0 EHADRM CC/C(C)=C/C(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000908420763 981317117 /nfs/dbraw/zinc/31/71/17/981317117.db2.gz XWNLKKXLQRIGJL-AORWBKJGSA-N -1 0 329.318 3.694 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Nc2cccc(C(=O)[O-])c2OC)cc1 ZINC000908508968 981320568 /nfs/dbraw/zinc/32/05/68/981320568.db2.gz YYZGMQWNTUCXMS-LBPRGKRZSA-N -1 0 343.379 3.534 20 0 EHADRM CCCC(=CC(=O)N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1)CCC ZINC001595521771 981342391 /nfs/dbraw/zinc/34/23/91/981342391.db2.gz BIKRIONWVXIHPP-QWHCGFSZSA-N -1 0 335.366 3.625 20 0 EHADRM CCCC(=CC(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC)CCC ZINC001595522926 981346099 /nfs/dbraw/zinc/34/60/99/981346099.db2.gz YPYWTPUVQNWIBI-UHFFFAOYSA-N -1 0 335.400 3.867 20 0 EHADRM CC(C)c1ccc(CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1 ZINC000908718500 981346550 /nfs/dbraw/zinc/34/65/50/981346550.db2.gz WGQUGRKEWJVWHZ-UHFFFAOYSA-N -1 0 329.440 3.851 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)c2ccccc2CCC(=O)[O-])c(C)s1 ZINC000908720177 981346839 /nfs/dbraw/zinc/34/68/39/981346839.db2.gz HZWLWGLZBHKBMU-GFCCVEGCSA-N -1 0 331.437 3.873 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1ccc(OCc2ccccc2)cc1C ZINC000908807158 981366120 /nfs/dbraw/zinc/36/61/20/981366120.db2.gz MTARTJDZHLDCCQ-MRXNPFEDSA-N -1 0 327.380 3.623 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000908802470 981366150 /nfs/dbraw/zinc/36/61/50/981366150.db2.gz ICOMIWVDUZMFJP-QWHCGFSZSA-N -1 0 329.318 3.621 20 0 EHADRM CCC[C@H](C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)c1cccc(Cl)c1 ZINC001595531931 981368865 /nfs/dbraw/zinc/36/88/65/981368865.db2.gz BUQXFVUAACUWIN-YESZJQIVSA-N -1 0 349.858 3.793 20 0 EHADRM C[C@H]1CN(C(=O)C23CCC(C(=O)[O-])(CC2)C3)CC[C@@H]1c1ccccc1 ZINC000908831397 981370440 /nfs/dbraw/zinc/37/04/40/981370440.db2.gz JGBKQKHLEBVJFB-DSSREEIYSA-N -1 0 341.451 3.674 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000908832518 981370534 /nfs/dbraw/zinc/37/05/34/981370534.db2.gz GVNYZFHJCLFXLT-DSSREEIYSA-N -1 0 341.451 3.816 20 0 EHADRM CCC[C@H](C(=O)NCC(C)(C)CC(=O)[O-])c1cccc(Cl)c1 ZINC001595536043 981379678 /nfs/dbraw/zinc/37/96/78/981379678.db2.gz NDXBIQLMHUOOCG-AWEZNQCLSA-N -1 0 325.836 3.841 20 0 EHADRM CCC[C@H](C(=O)NCc1ccccc1CC(=O)[O-])c1ccccc1 ZINC001595536042 981379817 /nfs/dbraw/zinc/37/98/17/981379817.db2.gz NDSBLRPSPPYDTO-SFHVURJKSA-N -1 0 325.408 3.514 20 0 EHADRM CCC[C@H](C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)c1ccc(Cl)cc1 ZINC001595536808 981384860 /nfs/dbraw/zinc/38/48/60/981384860.db2.gz DQOGVJHUMANQNK-XLTGGDBASA-N -1 0 349.858 3.839 20 0 EHADRM CCC[C@H](C(=O)O[C@@H](C(=O)[O-])c1ccccc1Cl)c1ccccn1 ZINC001595538152 981390154 /nfs/dbraw/zinc/39/01/54/981390154.db2.gz QBFPIOWCCZAYRU-XJKSGUPXSA-N -1 0 347.798 3.988 20 0 EHADRM CSc1ccccc1CC(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000908945469 981391112 /nfs/dbraw/zinc/39/11/12/981391112.db2.gz VPGCAYNKUHUXJT-INIZCTEOSA-N -1 0 343.448 3.673 20 0 EHADRM CCC[C@](C)(NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC001595546788 981414830 /nfs/dbraw/zinc/41/48/30/981414830.db2.gz SVAIBBKXXZSXAV-RDELFYGPSA-N -1 0 327.380 3.823 20 0 EHADRM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000909111787 981420104 /nfs/dbraw/zinc/42/01/04/981420104.db2.gz WUFREDNVVWDESY-QMMMGPOBSA-N -1 0 335.791 3.510 20 0 EHADRM Cc1ccc(-c2c[nH]cc2C(=O)NC[C@@H](CC(C)C)C(=O)[O-])s1 ZINC000909292258 981461583 /nfs/dbraw/zinc/46/15/83/981461583.db2.gz OFAMRCNRXCLYRS-GFCCVEGCSA-N -1 0 334.441 3.528 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C[C@@H](c2ccc(O)cc2)C2CC2)cc1F ZINC000909295225 981462954 /nfs/dbraw/zinc/46/29/54/981462954.db2.gz BJRKTXKUYXLRHC-MRXNPFEDSA-N -1 0 343.354 3.752 20 0 EHADRM CC(C)c1ccc(CCNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1 ZINC000909399546 981483996 /nfs/dbraw/zinc/48/39/96/981483996.db2.gz SNUKGLVQZHYNMW-UHFFFAOYSA-N -1 0 343.467 3.894 20 0 EHADRM CCS[C@H]1CCC[C@@H](NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1 ZINC000909415914 981489472 /nfs/dbraw/zinc/48/94/72/981489472.db2.gz RSFBTHLRTDAPQL-LHVTWPBJSA-N -1 0 339.501 3.592 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)CC[C@H]2CCc3ccccc32)C1 ZINC000909486332 981506461 /nfs/dbraw/zinc/50/64/61/981506461.db2.gz FJYUJIPTACFIQW-SJORKVTESA-N -1 0 343.467 3.846 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3)o2)C1 ZINC000909493749 981510152 /nfs/dbraw/zinc/51/01/52/981510152.db2.gz VSMWZYZODUBWBM-HNNXBMFYSA-N -1 0 341.407 3.910 20 0 EHADRM Cc1nc(CC2CC2)sc1C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000909513751 981521291 /nfs/dbraw/zinc/52/12/91/981521291.db2.gz TWLOVVFXZRAOPA-UHFFFAOYSA-N -1 0 344.436 3.971 20 0 EHADRM CCC[C@H](CC(C)C)C(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2 ZINC001595586119 981529321 /nfs/dbraw/zinc/52/93/21/981529321.db2.gz PHFGWZJQGBKDFG-VXGBXAGGSA-N -1 0 338.473 3.734 20 0 EHADRM CCC[C@@H](CC)C(=O)Oc1cc(Br)cc(C(=O)[O-])c1 ZINC001595586173 981530026 /nfs/dbraw/zinc/53/00/26/981530026.db2.gz QXNYJYHVTQRUSC-SECBINFHSA-N -1 0 329.190 3.879 20 0 EHADRM CCC[C@H](CC)C(=O)N[C@H](C(=O)[O-])c1ccccc1Br ZINC001595586358 981532069 /nfs/dbraw/zinc/53/20/69/981532069.db2.gz XIAXEJKSKBVUEF-GWCFXTLKSA-N -1 0 342.233 3.517 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000909550322 981538783 /nfs/dbraw/zinc/53/87/83/981538783.db2.gz BLCGJNFKTYAEGH-NQQMIMOSSA-N -1 0 341.451 3.816 20 0 EHADRM CCC[C@@H](CC)NC(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001595587391 981541352 /nfs/dbraw/zinc/54/13/52/981541352.db2.gz KPTDKUDWKRXRFB-OLZOCXBDSA-N -1 0 346.349 3.866 20 0 EHADRM CCCOc1ccc(CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1 ZINC000909570428 981545158 /nfs/dbraw/zinc/54/51/58/981545158.db2.gz YULVTGAAWKLBTI-UHFFFAOYSA-N -1 0 345.439 3.517 20 0 EHADRM CCC[C@@H](CCc1ccccc1)NC(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001595591890 981548414 /nfs/dbraw/zinc/54/84/14/981548414.db2.gz OZGKMDNLXGKFGV-KNBMTAEXSA-N -1 0 346.471 3.540 20 0 EHADRM CCC[C@H](NC(=O)N1CCOc2cc(C(=O)[O-])ccc2C1)C(C)(C)C ZINC001595598870 981569567 /nfs/dbraw/zinc/56/95/67/981569567.db2.gz QABKFMVULHICHU-INIZCTEOSA-N -1 0 348.443 3.504 20 0 EHADRM CCC[C@H](NC(=O)Nc1cccc(C(=O)[O-])n1)c1ccc(F)cc1F ZINC001595599632 981572539 /nfs/dbraw/zinc/57/25/39/981572539.db2.gz DAHDLXXGIMDBNS-ZDUSSCGKSA-N -1 0 349.337 3.721 20 0 EHADRM CCC[C@@H](Nc1ncc(C(=O)[O-])cc1Cl)[C@H](O)c1ccccc1 ZINC001595605195 981591721 /nfs/dbraw/zinc/59/17/21/981591721.db2.gz XYVQFTOTCZIWFY-HUUCEWRRSA-N -1 0 334.803 3.747 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N[C@@H](C)c1cccc(SC(F)(F)F)c1 ZINC001594747099 981637355 /nfs/dbraw/zinc/63/73/55/981637355.db2.gz GUEBJNQSZQRATM-GZMMTYOYSA-N -1 0 335.347 3.587 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2CCC(=O)c3ccccc32)c1 ZINC000909833708 981651266 /nfs/dbraw/zinc/65/12/66/981651266.db2.gz JEMLQIPTSJMPDJ-SJKOYZFVSA-N -1 0 337.375 3.574 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)CCc2ccc(N(C)C)cc2)c1 ZINC000909833736 981651439 /nfs/dbraw/zinc/65/14/39/981651439.db2.gz JPFMOCZURMWHBB-AWEZNQCLSA-N -1 0 340.423 3.512 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)NCc1ccccc1Sc1ccccc1 ZINC001594755502 981667187 /nfs/dbraw/zinc/66/71/87/981667187.db2.gz LCJCJGITYRFMRK-HNNXBMFYSA-N -1 0 329.421 3.565 20 0 EHADRM CCC[C@@H]1[C@H](C)CCCN1C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001595620036 981685403 /nfs/dbraw/zinc/68/54/03/981685403.db2.gz VFCSKMXYPGIBOA-IAQYHMDHSA-N -1 0 344.415 3.694 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)c(Cl)c1 ZINC000909863776 981687579 /nfs/dbraw/zinc/68/75/79/981687579.db2.gz WKHDRCBOIZXJTI-IBGZPJMESA-N -1 0 343.810 3.517 20 0 EHADRM CCC[C@@H]1C[C@H](C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)CCO1 ZINC001595620872 981693790 /nfs/dbraw/zinc/69/37/90/981693790.db2.gz WFDXQVZUZJUHLG-NXEZZACHSA-N -1 0 343.782 3.711 20 0 EHADRM Cc1c(CN(C)C(=O)c2ccoc2CC(=O)[O-])oc2c1cccc2C ZINC000909901912 981699148 /nfs/dbraw/zinc/69/91/48/981699148.db2.gz UCHJHNXRDJLBTP-UHFFFAOYSA-N -1 0 341.363 3.542 20 0 EHADRM CCC[C@@H]1CCCC[C@H]1CNC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001595621524 981700936 /nfs/dbraw/zinc/70/09/36/981700936.db2.gz JXDOEJHYAHUCQZ-OLZOCXBDSA-N -1 0 338.473 3.852 20 0 EHADRM CCC[C@@H]1CCCC[C@@H]1CNC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001595621523 981701117 /nfs/dbraw/zinc/70/11/17/981701117.db2.gz JXDOEJHYAHUCQZ-CHWSQXEVSA-N -1 0 338.473 3.852 20 0 EHADRM CSc1ccc([C@@H](C)NC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1 ZINC000909922376 981702775 /nfs/dbraw/zinc/70/27/75/981702775.db2.gz ZEBIIZBUXBCJMB-RGZNSWCXSA-N -1 0 333.453 3.621 20 0 EHADRM CC(C)[C@@H](CC(=O)NC(C)(C)c1cc(C(=O)[O-])on1)c1ccccc1 ZINC000909926857 981704153 /nfs/dbraw/zinc/70/41/53/981704153.db2.gz VEFFVJYSNBIKIN-CQSZACIVSA-N -1 0 344.411 3.554 20 0 EHADRM CC[C@H](Cc1ccc(F)cc1)NC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000909931718 981704806 /nfs/dbraw/zinc/70/48/06/981704806.db2.gz HBQOFUIITWUMRX-PBPGXSGUSA-N -1 0 347.430 3.688 20 0 EHADRM CCC[C@H]1CCCC[C@@H]1NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001595622674 981712947 /nfs/dbraw/zinc/71/29/47/981712947.db2.gz VKAODZVMCLPLLC-BBRMVZONSA-N -1 0 342.439 3.884 20 0 EHADRM C[C@](CCF)(NC(=O)c1sc2cccc(F)c2c1Cl)C(=O)[O-] ZINC000909970025 981720242 /nfs/dbraw/zinc/72/02/42/981720242.db2.gz JNKSTVHWMCPZFY-CQSZACIVSA-N -1 0 347.770 3.627 20 0 EHADRM CCC/C=C/C(=O)N[C@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC001595624508 981732942 /nfs/dbraw/zinc/73/29/42/981732942.db2.gz XVTMDZGIWFZEDF-MUBLQREKSA-N -1 0 345.317 3.574 20 0 EHADRM C/C=C(\CC)C(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC000910082368 981754486 /nfs/dbraw/zinc/75/44/86/981754486.db2.gz MGRYQFCFORSPSF-RUDMXATFSA-N -1 0 326.190 3.751 20 0 EHADRM CC[C@H](C(=O)O[C@H](C(=O)[O-])C1CC1)c1cccc(C(F)(F)F)c1 ZINC001594775829 981761542 /nfs/dbraw/zinc/76/15/42/981761542.db2.gz XGNNVJJKNUGCJG-STQMWFEESA-N -1 0 330.302 3.605 20 0 EHADRM C[C@H](NC(=O)CC[C@@H]1CCc2ccccc21)c1ncc(C(=O)[O-])s1 ZINC000910156423 981767624 /nfs/dbraw/zinc/76/76/24/981767624.db2.gz LVRJCDCGDQQGCT-AAEUAGOBSA-N -1 0 344.436 3.529 20 0 EHADRM O=C([O-])[C@]12CN(C(=O)c3scnc3C3CCCC3)C[C@H]1CCCC2 ZINC000910165733 981771133 /nfs/dbraw/zinc/77/11/33/981771133.db2.gz LVHPBYDSZKPZGH-FZKQIMNGSA-N -1 0 348.468 3.518 20 0 EHADRM CCCC[C@H](C(=O)N[C@@](C)(CC(=O)[O-])c1cccc(OC)c1)C(C)C ZINC001595627753 981775864 /nfs/dbraw/zinc/77/58/64/981775864.db2.gz RXJSUVBEBBQFKA-PXNSSMCTSA-N -1 0 349.471 3.964 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@H]1Cc2ccc(C)cc2S1 ZINC001594779532 981781050 /nfs/dbraw/zinc/78/10/50/981781050.db2.gz APZLLJMNJYACEJ-APWZRJJASA-N -1 0 347.480 3.504 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)C1(Cc2ccccc2F)CC1 ZINC001594783690 981796001 /nfs/dbraw/zinc/79/60/01/981796001.db2.gz ZHIWOCCNBSUJOP-IBGZPJMESA-N -1 0 347.430 3.640 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cnc(C(C)(C)C)s1 ZINC001594786292 981809942 /nfs/dbraw/zinc/80/99/42/981809942.db2.gz UEGMQDAMAAIOPT-KRWDZBQOSA-N -1 0 338.473 3.546 20 0 EHADRM CC(C)(C)[C@H]1Cc2ccccc2N(C(=O)c2ccoc2CC(=O)[O-])C1 ZINC000910242182 981810619 /nfs/dbraw/zinc/81/06/19/981810619.db2.gz VRWMBTRZBBZXBE-AWEZNQCLSA-N -1 0 341.407 3.772 20 0 EHADRM CCCC[C@@H](C)C(=O)N(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001595631059 981832742 /nfs/dbraw/zinc/83/27/42/981832742.db2.gz ZWTBJINVAAARTB-OTYXRUKQSA-N -1 0 331.334 3.514 20 0 EHADRM CC(C)[C@H]1C[C@H](CC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CCO1 ZINC000910298213 981852985 /nfs/dbraw/zinc/85/29/85/981852985.db2.gz JZGFCWHMCSEAKK-BVPBIZIASA-N -1 0 345.439 3.655 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cc(F)c(F)cc1Cl ZINC001594793555 981865353 /nfs/dbraw/zinc/86/53/53/981865353.db2.gz UQODHJYDNOMIOE-INIZCTEOSA-N -1 0 345.773 3.724 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3CCC[C@@H](C4CCC4)CC3)(CC1)CC2 ZINC000910313985 981868663 /nfs/dbraw/zinc/86/86/63/981868663.db2.gz KJNOTYFSYFKGEO-PBPGXSGUSA-N -1 0 333.472 3.840 20 0 EHADRM COc1cccc([C@@H](C)CCCC(=O)N[C@@](C)(CC(=O)[O-])C2CC2)c1 ZINC000910316866 981871055 /nfs/dbraw/zinc/87/10/55/981871055.db2.gz IMLVSEXYAOPXBQ-XOBRGWDASA-N -1 0 347.455 3.729 20 0 EHADRM CCC(C)(C)C1CCC(NC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])CC1 ZINC001594796855 981882902 /nfs/dbraw/zinc/88/29/02/981882902.db2.gz OFLNCFUHTFTBNF-SLTXQBBLSA-N -1 0 338.492 3.924 20 0 EHADRM CC[C@@H](NC(=O)C12CCC(C(=O)[O-])(CC1)CC2)c1ccccc1OC ZINC000910349487 981885368 /nfs/dbraw/zinc/88/53/68/981885368.db2.gz DAHXPSOACNGQES-APMMTJHUSA-N -1 0 345.439 3.688 20 0 EHADRM CCCC[C@H](NC(=O)Cc1csc2cc(C)sc12)C(=O)[O-] ZINC001595635632 981906452 /nfs/dbraw/zinc/90/64/52/981906452.db2.gz DMSNCGZNXOZIAC-NSHDSACASA-N -1 0 325.455 3.573 20 0 EHADRM CCC(C)(C)c1ccc(CNC(=O)N2CCC[C@H]2CC(=O)[O-])cc1 ZINC001594814580 981939283 /nfs/dbraw/zinc/93/92/83/981939283.db2.gz PWMZPHDSTIJXBY-INIZCTEOSA-N -1 0 332.444 3.523 20 0 EHADRM CCC(C)(C)OCc1cccc(NC(=O)c2ccc(C(=O)[O-])[nH]2)c1C ZINC001594814677 981939705 /nfs/dbraw/zinc/93/97/05/981939705.db2.gz WHWGYEATEXFWHN-UHFFFAOYSA-N -1 0 344.411 3.979 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)c2ccccc21 ZINC000910480654 981954181 /nfs/dbraw/zinc/95/41/81/981954181.db2.gz ZMICNUBCJACKOF-LLDVTBCESA-N -1 0 349.377 3.631 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)CCOc1cc(C)ccc1C(C)C ZINC001594819043 981963515 /nfs/dbraw/zinc/96/35/15/981963515.db2.gz NKGYDXQZCAPRFB-LJQANCHMSA-N -1 0 335.444 3.647 20 0 EHADRM C[C@H](C(=O)N1CCc2cc(C(=O)[O-])ccc2C1)c1ccc(Cl)s1 ZINC000910506428 981972651 /nfs/dbraw/zinc/97/26/51/981972651.db2.gz PQCWXVATCVJSPJ-JTQLQIEISA-N -1 0 349.839 3.788 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1cnc(C(C)(C)C)s1 ZINC000910509894 981974254 /nfs/dbraw/zinc/97/42/54/981974254.db2.gz SBKDHWKOZZGAGF-UHFFFAOYSA-N -1 0 340.489 3.650 20 0 EHADRM CCCC[C@H](S[C@H](C(=O)N1C[C@@H](C)C[C@H](C)C1)C(C)C)C(=O)[O-] ZINC001595652706 982035846 /nfs/dbraw/zinc/03/58/46/982035846.db2.gz WNRWGINLDFLCJD-VGWMRTNUSA-N -1 0 343.533 3.892 20 0 EHADRM CCCC[C@@H](S[C@@H](C(=O)N1CCc2ccccc21)C(C)C)C(=O)[O-] ZINC001595652738 982036316 /nfs/dbraw/zinc/03/63/16/982036316.db2.gz XBRGYNCTAFRZMC-IAGOWNOFSA-N -1 0 349.496 3.977 20 0 EHADRM CCCC[C@H](S[C@H](C)C(=O)N[C@@H](C)c1ccccc1C)C(=O)[O-] ZINC001595652897 982037901 /nfs/dbraw/zinc/03/79/01/982037901.db2.gz YWLZOFIYMXEMBE-LZWOXQAQSA-N -1 0 337.485 3.937 20 0 EHADRM CCCC[C@@H](SCC(=O)N[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001595655025 982042640 /nfs/dbraw/zinc/04/26/40/982042640.db2.gz HDVMDFYTZGPIQF-JKSUJKDBSA-N -1 0 335.469 3.557 20 0 EHADRM CC(C)CCn1ncc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1C(C)C ZINC000910657468 982045753 /nfs/dbraw/zinc/04/57/53/982045753.db2.gz ZNNGOVBAPYGCLY-HUUCEWRRSA-N -1 0 349.475 3.882 20 0 EHADRM CCCC[C@H](SCC(=O)Nc1ccc(Cl)cc1C)C(=O)[O-] ZINC001595656125 982050579 /nfs/dbraw/zinc/05/05/79/982050579.db2.gz UQMFKNFUXTWPMN-ZDUSSCGKSA-N -1 0 329.849 3.964 20 0 EHADRM CC1(C)CCc2sc(NC(=O)c3ccccc3CCC(=O)[O-])nc21 ZINC000910678220 982052084 /nfs/dbraw/zinc/05/20/84/982052084.db2.gz BQZJSMICOIYBTL-UHFFFAOYSA-N -1 0 344.436 3.636 20 0 EHADRM CCCCCC(C)(C)C(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001595662778 982081085 /nfs/dbraw/zinc/08/10/85/982081085.db2.gz LAIBBNJYEDZUGR-FVRSWCFKSA-N -1 0 341.517 3.838 20 0 EHADRM C/C=C(/C=C\C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1)CC ZINC000910723735 982087359 /nfs/dbraw/zinc/08/73/59/982087359.db2.gz ODDRDKBCFCZIST-VLIHPPMNSA-N -1 0 334.441 3.726 20 0 EHADRM CCc1ccccc1C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910727845 982090401 /nfs/dbraw/zinc/09/04/01/982090401.db2.gz RNYFECPNBQEEDQ-AWEZNQCLSA-N -1 0 344.436 3.689 20 0 EHADRM CCCCS[C@@H](C)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910730467 982093029 /nfs/dbraw/zinc/09/30/29/982093029.db2.gz BIISZQGLMHEGJR-QMMMGPOBSA-N -1 0 328.459 3.579 20 0 EHADRM CCCCC[C@H](C)CC(=O)Nc1cccc(-n2cc(C(=O)[O-])nn2)c1 ZINC001595666283 982099556 /nfs/dbraw/zinc/09/95/56/982099556.db2.gz HQAACNXYJYJOKM-ZDUSSCGKSA-N -1 0 344.415 3.511 20 0 EHADRM CCCCC[C@H](CC)C(=O)Nc1c2cccnc2n(C)c1C(=O)[O-] ZINC001595671087 982123206 /nfs/dbraw/zinc/12/32/06/982123206.db2.gz ZABRQZMWSRNPRU-LBPRGKRZSA-N -1 0 331.416 3.817 20 0 EHADRM O=C([O-])CC1CC(NC(=O)C2(Cc3cccc(Cl)c3)CCCC2)C1 ZINC000910809208 982130000 /nfs/dbraw/zinc/13/00/00/982130000.db2.gz CLRPXLIOHPHSHP-UHFFFAOYSA-N -1 0 349.858 3.812 20 0 EHADRM Cc1cc(NC(=O)C[C@H](C)CC(=O)[O-])cc(C)c1Br ZINC000232020845 1014806917 /nfs/dbraw/zinc/80/69/17/1014806917.db2.gz IXEHEOXQPZFKAI-QMMMGPOBSA-N -1 0 328.206 3.505 20 0 EHADRM C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000910936243 982170029 /nfs/dbraw/zinc/17/00/29/982170029.db2.gz RBIWZXGZYCJQBX-XXLXYPQYSA-N -1 0 339.391 3.786 20 0 EHADRM CCS[C@@H](C(=O)Nc1ccc(SC)c(C(=O)[O-])c1)C(C)C ZINC000910949659 982173733 /nfs/dbraw/zinc/17/37/33/982173733.db2.gz NRIPXOULZYYRNN-CYBMUJFWSA-N -1 0 327.471 3.823 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1ccnn1C(CC)CC ZINC000910955587 982176171 /nfs/dbraw/zinc/17/61/71/982176171.db2.gz VMVVKTHHEFZKOQ-UHFFFAOYSA-N -1 0 329.400 3.757 20 0 EHADRM C[C@]1(Cc2cccs2)CCCN1C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000911061915 982220855 /nfs/dbraw/zinc/22/08/55/982220855.db2.gz LDVIKGHUEIQDQT-PMUMKWKESA-N -1 0 335.469 3.563 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(F)c1 ZINC000911086878 982230681 /nfs/dbraw/zinc/23/06/81/982230681.db2.gz NAHGKDGRHDAKRU-UHFFFAOYSA-N -1 0 342.370 3.767 20 0 EHADRM CCCCCC[C@@H](C)CC(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001595698375 982250600 /nfs/dbraw/zinc/25/06/00/982250600.db2.gz RNCWGFAJMSMMKK-ZIAGYGMSSA-N -1 0 335.448 3.529 20 0 EHADRM O=C([O-])c1ccnc(C(=O)N(Cc2cccc(F)c2)C2CCCC2)c1 ZINC000911221268 982290651 /nfs/dbraw/zinc/29/06/51/982290651.db2.gz TXXNLZWDOSCTRQ-UHFFFAOYSA-N -1 0 342.370 3.504 20 0 EHADRM CCCCCCO[C@@H](C)C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001595710119 982293721 /nfs/dbraw/zinc/29/37/21/982293721.db2.gz CUEPLTFBVLNWSQ-NSHDSACASA-N -1 0 328.792 3.929 20 0 EHADRM CCCCCCOCc1cccc(NC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)c1 ZINC001595710367 982294483 /nfs/dbraw/zinc/29/44/83/982294483.db2.gz FOMKUCYVWKEXKB-IYBDPMFKSA-N -1 0 333.428 3.833 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(N(C)C(C)C)c(F)c2)oc1C(=O)[O-] ZINC000911226458 982298825 /nfs/dbraw/zinc/29/88/25/982298825.db2.gz IALVRYQFMSZYKM-UHFFFAOYSA-N -1 0 334.347 3.522 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(N3CCCCC3)c2)oc1C(=O)[O-] ZINC000911247921 982311674 /nfs/dbraw/zinc/31/16/74/982311674.db2.gz KTPDULZUVCPZFN-UHFFFAOYSA-N -1 0 328.368 3.529 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1 ZINC000911248276 982312655 /nfs/dbraw/zinc/31/26/55/982312655.db2.gz PUMVZGQCLRLUPM-GUYCJALGSA-N -1 0 326.396 3.909 20 0 EHADRM CCCCCc1nnc(NC(=O)c2ccc(C)c(C(=O)[O-])c2)s1 ZINC001595728354 982359802 /nfs/dbraw/zinc/35/98/02/982359802.db2.gz SAIDYQOYKKDFJP-UHFFFAOYSA-N -1 0 333.413 3.530 20 0 EHADRM CCCCN(C(=O)c1cc(C(=O)[O-])ccn1)[C@@H](C)c1ccccc1 ZINC001595731706 982363763 /nfs/dbraw/zinc/36/37/63/982363763.db2.gz FMIJYQZUHBGECO-AWEZNQCLSA-N -1 0 326.396 3.783 20 0 EHADRM O=C([O-])c1ccc(CC(=O)Nc2cccc(NC3CCCC3)c2)cc1 ZINC000911367679 982384733 /nfs/dbraw/zinc/38/47/33/982384733.db2.gz FHPPVAYQTACHFT-UHFFFAOYSA-N -1 0 338.407 3.921 20 0 EHADRM CCCCN(Cc1ccccc1F)C(=O)c1oc(C(=O)[O-])cc1C ZINC001595747914 982416709 /nfs/dbraw/zinc/41/67/09/982416709.db2.gz MKNPENBDSXCDAN-UHFFFAOYSA-N -1 0 333.359 3.868 20 0 EHADRM CCCCN(Cc1c(C)oc(C)c1C)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001595749288 982422622 /nfs/dbraw/zinc/42/26/22/982422622.db2.gz VZKIZHLYQALZKT-MRXNPFEDSA-N -1 0 348.443 3.690 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000911569706 982509056 /nfs/dbraw/zinc/50/90/56/982509056.db2.gz GAEFLBRIKWUOBD-MAUKXSAKSA-N -1 0 341.382 3.519 20 0 EHADRM CC[C@@H](C)[C@@H](Sc1nnc(-c2ccccc2Cl)n1C)C(=O)[O-] ZINC001594928818 982543023 /nfs/dbraw/zinc/54/30/23/982543023.db2.gz NLEURMOFRFFRKX-BXKDBHETSA-N -1 0 339.848 3.727 20 0 EHADRM CCCCOc1ncccc1CN[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001595780849 982555383 /nfs/dbraw/zinc/55/53/83/982555383.db2.gz HRTYYSIINWOGBS-MRXNPFEDSA-N -1 0 348.830 3.829 20 0 EHADRM CCCCOc1cccc(NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC001595780968 982556137 /nfs/dbraw/zinc/55/61/37/982556137.db2.gz SHSCUSKLGXENOQ-HNNXBMFYSA-N -1 0 348.443 3.974 20 0 EHADRM CCCCc1ccc([C@H](NC(=O)N2CC[C@@H](C(=O)[O-])C2)C(C)C)cc1 ZINC001595794018 982598251 /nfs/dbraw/zinc/59/82/51/982598251.db2.gz VJDYBVRLEWJEBP-QZTJIDSGSA-N -1 0 346.471 3.842 20 0 EHADRM CC(C)(CNC(=O)CCCCC(=O)[O-])c1cccc(Cl)c1F ZINC000911673001 982598937 /nfs/dbraw/zinc/59/89/37/982598937.db2.gz FCNYSFQWQXJNHF-UHFFFAOYSA-N -1 0 329.799 3.518 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)CCCc1ccc(SC)cc1)C(=O)[O-] ZINC001594939576 982611191 /nfs/dbraw/zinc/61/11/91/982611191.db2.gz USFQRIUVFCYEEO-BBRMVZONSA-N -1 0 337.485 3.737 20 0 EHADRM CCCCc1nc(COC(=O)c2ccc(C(=O)[O-])cc2F)cs1 ZINC001595799567 982614491 /nfs/dbraw/zinc/61/44/91/982614491.db2.gz YOUCGFOHHYHSBB-UHFFFAOYSA-N -1 0 337.372 3.680 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)COc1ccccc1[C@@H](C)CC)C(=O)[O-] ZINC001594942368 982619228 /nfs/dbraw/zinc/61/92/28/982619228.db2.gz OXESSDHHGMZRAE-OFQRWUPVSA-N -1 0 335.444 3.585 20 0 EHADRM Cc1ncsc1CCC(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC000911737703 982619998 /nfs/dbraw/zinc/61/99/98/982619998.db2.gz GWGJLGFVUZMHQC-UHFFFAOYSA-N -1 0 348.424 3.508 20 0 EHADRM CCc1ccc([C@H]2CCN(C(=O)C34CCC(C(=O)[O-])(CC3)C4)C2)cc1 ZINC000911756130 982633597 /nfs/dbraw/zinc/63/35/97/982633597.db2.gz FPMNPECRPNHORK-RPCJCACASA-N -1 0 341.451 3.600 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)c1[nH]c2c(cccc2Cl)c1C)C(=O)[O-] ZINC001594946487 982641731 /nfs/dbraw/zinc/64/17/31/982641731.db2.gz WYKRTGHJJWSUOM-RNCFNFMXSA-N -1 0 336.819 3.749 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)c1[nH]c2c(cccc2Cl)c1C)C(=O)[O-] ZINC001594946488 982642019 /nfs/dbraw/zinc/64/20/19/982642019.db2.gz WYKRTGHJJWSUOM-TVQRCGJNSA-N -1 0 336.819 3.749 20 0 EHADRM Cc1c(NC(=O)/C=C/c2ccc3ccccc3n2)cccc1C(=O)[O-] ZINC000914731555 982658383 /nfs/dbraw/zinc/65/83/83/982658383.db2.gz BCUJTLVXXAIEBD-VAWYXSNFSA-N -1 0 332.359 3.893 20 0 EHADRM CCCN(C(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1)[C@H](C)C(=O)[O-] ZINC001595816382 982671765 /nfs/dbraw/zinc/67/17/65/982671765.db2.gz HYNYWSOBJVRFFC-HCRIHEDKSA-N -1 0 343.345 3.820 20 0 EHADRM CC(C)N(C)c1ccc(NC(=O)c2ccc(C(=O)[O-])s2)cc1F ZINC000916434466 982676512 /nfs/dbraw/zinc/67/65/12/982676512.db2.gz QBJRMBSHIVDHLP-UHFFFAOYSA-N -1 0 336.388 3.682 20 0 EHADRM CCCN(C(=O)/C=C\c1cccc(OC2CCCC2)c1)[C@H](C)C(=O)[O-] ZINC001595817221 982678938 /nfs/dbraw/zinc/67/89/38/982678938.db2.gz PVVZWQHLDMOMQE-QYMJWVLRSA-N -1 0 345.439 3.733 20 0 EHADRM O=C([O-])[C@]1(CC(=O)Nc2ccc(SC(F)F)cc2)CCSC1 ZINC000064610254 1014867959 /nfs/dbraw/zinc/86/79/59/1014867959.db2.gz ZDILBRJKQHLMEC-AWEZNQCLSA-N -1 0 347.408 3.538 20 0 EHADRM CCCN(C(=O)Nc1cccc(C(=O)[O-])c1Br)C(C)C ZINC001595822205 982691714 /nfs/dbraw/zinc/69/17/14/982691714.db2.gz KFVBODNGRWIRNJ-UHFFFAOYSA-N -1 0 343.221 3.800 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C[C@H]2CC=CCC2)c(OCC(F)F)c1 ZINC000923098844 982723178 /nfs/dbraw/zinc/72/31/78/982723178.db2.gz RBCWRGDYZQDWQA-NSHDSACASA-N -1 0 339.338 3.714 20 0 EHADRM O=C([O-])c1cccc(NC2CCN(C(=O)C[C@@H]3CC=CCC3)CC2)c1 ZINC000923107891 982730009 /nfs/dbraw/zinc/73/00/09/982730009.db2.gz CEBFJTAZBXLBMY-OAHLLOKOSA-N -1 0 342.439 3.534 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 ZINC001594977330 982755532 /nfs/dbraw/zinc/75/55/32/982755532.db2.gz KXNPLXXLRVVEQM-OLZOCXBDSA-N -1 0 342.439 3.618 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCc1ccc(F)c2ccccc12 ZINC000923152541 982765544 /nfs/dbraw/zinc/76/55/44/982765544.db2.gz IBAGDLUZQINIOJ-UKRRQHHQSA-N -1 0 343.398 3.623 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000923154352 982769187 /nfs/dbraw/zinc/76/91/87/982769187.db2.gz PBEQQXZBWZLCFY-SVYNMNNPSA-N -1 0 337.419 3.655 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1coc(C(F)F)c1)C1CCCCCC1 ZINC000923173283 982823808 /nfs/dbraw/zinc/82/38/08/982823808.db2.gz NMUGMMBNDUKGGQ-LBPRGKRZSA-N -1 0 329.343 3.618 20 0 EHADRM COc1cc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc2ccccc21 ZINC000923220126 982849630 /nfs/dbraw/zinc/84/96/30/982849630.db2.gz OROGKBVDDMSQKU-KBPBESRZSA-N -1 0 327.380 3.678 20 0 EHADRM COc1cc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc2ccccc21 ZINC000923220771 982851606 /nfs/dbraw/zinc/85/16/06/982851606.db2.gz UUYWXPFWCXNAID-UHFFFAOYSA-N -1 0 339.391 3.822 20 0 EHADRM COc1cc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc2ccccc21 ZINC000923220129 982852291 /nfs/dbraw/zinc/85/22/91/982852291.db2.gz OROGKBVDDMSQKU-UONOGXRCSA-N -1 0 327.380 3.678 20 0 EHADRM CC[C@@H](C)NC(=O)c1ccc(NCc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC001594992507 982863230 /nfs/dbraw/zinc/86/32/30/982863230.db2.gz XTKDNHDXOVYJFZ-CQSZACIVSA-N -1 0 340.423 3.834 20 0 EHADRM CC[C@@H](C)Oc1cc(C(=O)Nc2cccc(C(=O)[O-])c2Cl)ccn1 ZINC001594996009 982898331 /nfs/dbraw/zinc/89/83/31/982898331.db2.gz DCZOADWGSNFORJ-SNVBAGLBSA-N -1 0 348.786 3.863 20 0 EHADRM CC[C@@H](C)Sc1ccc(NC(=O)NC[C@H]2C[C@H]2C(=O)[O-])c(C)c1 ZINC001595004241 982917517 /nfs/dbraw/zinc/91/75/17/982917517.db2.gz IIGLKCXGMQQGGL-YRGRVCCFSA-N -1 0 336.457 3.728 20 0 EHADRM CC[C@H](C)c1ccc([C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C(C)C)cc1 ZINC001595010377 982939391 /nfs/dbraw/zinc/93/93/91/982939391.db2.gz PNXFPISFGMLQPT-NBMRYCAZSA-N -1 0 347.455 3.646 20 0 EHADRM CC[C@@H](C)c1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1 ZINC001595010816 982943503 /nfs/dbraw/zinc/94/35/03/982943503.db2.gz YQMQBFWTQSXWDL-AUUYWEPGSA-N -1 0 337.419 3.852 20 0 EHADRM CO[C@H]1CCC[C@@H](CC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC001118576893 982960776 /nfs/dbraw/zinc/96/07/76/982960776.db2.gz DESWHDSRVIHPEI-YGRLFVJLSA-N -1 0 325.792 3.572 20 0 EHADRM Cc1cccc(CO[C@@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2C)c1 ZINC001118913464 982966977 /nfs/dbraw/zinc/96/69/77/982966977.db2.gz ICUXSASRHXSQEL-AWEZNQCLSA-N -1 0 327.380 3.545 20 0 EHADRM CCCOc1cc(C)ccc1NC(=O)NCC1(C(=O)[O-])CCCCC1 ZINC001595950366 983120248 /nfs/dbraw/zinc/12/02/48/983120248.db2.gz QTYNSMULGUJNKH-UHFFFAOYSA-N -1 0 348.443 3.940 20 0 EHADRM CCCOc1ccc([C@H](C)Nc2cc(C(=O)[O-])ccn2)cc1OC ZINC001595954743 983140923 /nfs/dbraw/zinc/14/09/23/983140923.db2.gz UTJMTDNBIAHLCV-LBPRGKRZSA-N -1 0 330.384 3.750 20 0 EHADRM CCCOc1ccc(NC(=O)c2ccc(C(=O)[O-])[nH]2)cc1OCCC ZINC001595960465 983151355 /nfs/dbraw/zinc/15/13/55/983151355.db2.gz JJHIRWAQSGQQFG-UHFFFAOYSA-N -1 0 346.383 3.543 20 0 EHADRM CCCSc1cccc(NC(=O)c2ccc(/C=C\C(=O)[O-])o2)n1 ZINC001595987349 983238547 /nfs/dbraw/zinc/23/85/47/983238547.db2.gz FBAFVFYSDFWWQI-CLFYSBASSA-N -1 0 332.381 3.527 20 0 EHADRM CCCSc1ccc(COC(=O)c2cc(C(=O)[O-])ccn2)cc1 ZINC001595987672 983240251 /nfs/dbraw/zinc/24/02/51/983240251.db2.gz MWCNNWQSHYMUBS-UHFFFAOYSA-N -1 0 331.393 3.639 20 0 EHADRM CCCc1[nH]ccc1C(=O)Nc1ccc(OC(C)C)cc1C(=O)[O-] ZINC001596026771 983290838 /nfs/dbraw/zinc/29/08/38/983290838.db2.gz RDSWOSGFZYRPLY-UHFFFAOYSA-N -1 0 330.384 3.705 20 0 EHADRM CCCc1c(C(=O)N2C[C@H](C)[C@@H]2c2ccccc2)[nH]c(C)c1C(=O)[O-] ZINC001596031143 983302174 /nfs/dbraw/zinc/30/21/74/983302174.db2.gz RTUUDPOMVGGGCS-KPZWWZAWSA-N -1 0 340.423 3.807 20 0 EHADRM CCCc1c(C(=O)Nc2scnc2C(C)C)[nH]c(C)c1C(=O)[O-] ZINC001596046957 983340257 /nfs/dbraw/zinc/34/02/57/983340257.db2.gz LIUYBYPEBQIRIU-UHFFFAOYSA-N -1 0 335.429 3.806 20 0 EHADRM CCCc1c(NCc2c[nH]c(C(=O)[O-])c2)cnn1-c1ccccc1C ZINC001596050032 983347842 /nfs/dbraw/zinc/34/78/42/983347842.db2.gz DRUOZGPNNBFWHF-UHFFFAOYSA-N -1 0 338.411 3.772 20 0 EHADRM CCCc1cc(C(=O)N(CC(C)C)C(C)(C)C(=O)[O-])sc1C ZINC001596053516 983355497 /nfs/dbraw/zinc/35/54/97/983355497.db2.gz VTAPFOXCAAUUDO-UHFFFAOYSA-N -1 0 325.474 3.970 20 0 EHADRM CCCc1ccc(C(=O)N[C@@H](C)[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC001596060652 983369779 /nfs/dbraw/zinc/36/97/79/983369779.db2.gz OEAXPPIQOXOJHE-KXBFYZLASA-N -1 0 339.435 3.701 20 0 EHADRM CCCc1ccc(C(=O)Oc2ccc(N(C)C)c(C(=O)[O-])c2)cc1 ZINC001596062978 983373346 /nfs/dbraw/zinc/37/33/46/983373346.db2.gz OZRSJNVMWSJMDJ-UHFFFAOYSA-N -1 0 327.380 3.623 20 0 EHADRM CCCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)[O-])cc2OC)cc1 ZINC001596063384 983375029 /nfs/dbraw/zinc/37/50/29/983375029.db2.gz UQMSLGCJUUSTGG-XYOKQWHBSA-N -1 0 340.375 3.965 20 0 EHADRM CCCc1ncc(C(=O)N2CCCCc3cc(C(=O)[O-])ccc32)s1 ZINC001596098848 983422177 /nfs/dbraw/zinc/42/21/77/983422177.db2.gz FSSPIABLZKQHPH-UHFFFAOYSA-N -1 0 344.436 3.777 20 0 EHADRM CCN(C(=O)/C(C)=C/c1ccc(C)cc1)c1ncc(C(=O)[O-])s1 ZINC001596128125 983471561 /nfs/dbraw/zinc/47/15/61/983471561.db2.gz SMYFAHWJFZANEI-FMIVXFBMSA-N -1 0 330.409 3.606 20 0 EHADRM CCN(C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21)C(C)(C)C(=O)[O-] ZINC001596138884 983489976 /nfs/dbraw/zinc/48/99/76/983489976.db2.gz XZKWIQBSTYFBKB-IAGOWNOFSA-N -1 0 325.408 3.655 20 0 EHADRM CCN(C(=O)Nc1cc(C(=O)[O-])sc1C)[C@H](C)c1cccnc1 ZINC001596151040 983511421 /nfs/dbraw/zinc/51/14/21/983511421.db2.gz QVQMHBGVAYSNKB-SNVBAGLBSA-N -1 0 333.413 3.765 20 0 EHADRM CCN(C(=O)c1cc(C)c2ccccc2n1)c1ccccc1C(=O)[O-] ZINC001596164190 983526436 /nfs/dbraw/zinc/52/64/36/983526436.db2.gz GMHPMBQLVDMBHY-UHFFFAOYSA-N -1 0 334.375 3.908 20 0 EHADRM CCN(C(=O)c1cccc2c1CCCCC2)c1ncc(C(=O)[O-])s1 ZINC001596170875 983536454 /nfs/dbraw/zinc/53/64/54/983536454.db2.gz PWRMQQMFUXYQAJ-UHFFFAOYSA-N -1 0 344.436 3.777 20 0 EHADRM CCN(C(=O)c1noc2c1CC(C)(C)CC2)c1ccccc1C(=O)[O-] ZINC001596174928 983541931 /nfs/dbraw/zinc/54/19/31/983541931.db2.gz PUDMSIBAGLBEHM-UHFFFAOYSA-N -1 0 342.395 3.554 20 0 EHADRM CCN(CC(=O)Nc1ccc(SC)c(C(=O)[O-])c1)c1ccccc1 ZINC001596209802 983601465 /nfs/dbraw/zinc/60/14/65/983601465.db2.gz UJMZUKMWHAPQJY-UHFFFAOYSA-N -1 0 344.436 3.572 20 0 EHADRM CCN(Cc1ccccc1C)C(=O)Nc1cccc(C(=O)[O-])c1OC ZINC001596371796 983873148 /nfs/dbraw/zinc/87/31/48/983873148.db2.gz MZJUSWGVRUEJSA-UHFFFAOYSA-N -1 0 342.395 3.756 20 0 EHADRM CCN(Cc1occc1C)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001596380601 983902606 /nfs/dbraw/zinc/90/26/06/983902606.db2.gz QOWRJPFZIDZXRV-UHFFFAOYSA-N -1 0 336.775 3.994 20 0 EHADRM CCN(c1ccc(NC(=O)NC2(CC(=O)[O-])CCCC2)cc1)C(C)C ZINC001596385790 983914228 /nfs/dbraw/zinc/91/42/28/983914228.db2.gz ZQGKCPLDKQFZHI-UHFFFAOYSA-N -1 0 347.459 3.830 20 0 EHADRM CCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cc(C(=O)[O-])c(C)o1 ZINC001596395206 983932742 /nfs/dbraw/zinc/93/27/42/983932742.db2.gz WOXKYAVOQGGDCI-CQSZACIVSA-N -1 0 334.759 3.526 20 0 EHADRM COc1cccc(C(F)(F)F)c1Nc1ccc(S(=O)(=O)[O-])cc1 ZINC001213345638 1015008085 /nfs/dbraw/zinc/00/80/85/1015008085.db2.gz VIVSUUJURIXHAG-UHFFFAOYSA-N -1 0 347.314 3.704 20 0 EHADRM CCNc1ccc(C)cc1C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001596501383 984254858 /nfs/dbraw/zinc/25/48/58/984254858.db2.gz SERRUMAIXUGHCV-UHFFFAOYSA-N -1 0 337.379 3.859 20 0 EHADRM CCNc1nnc(SCc2cccc(C(=O)[O-])c2Cl)s1 ZINC001596509630 984272662 /nfs/dbraw/zinc/27/26/62/984272662.db2.gz SCCBHJCTIGCFTH-UHFFFAOYSA-N -1 0 329.834 3.614 20 0 EHADRM CCOC(=O)CN(Cc1ccsc1C(=O)[O-])[C@H](C)c1ccccc1 ZINC001596622417 984600610 /nfs/dbraw/zinc/60/06/10/984600610.db2.gz XSEQLMASSFJHJI-CYBMUJFWSA-N -1 0 347.436 3.573 20 0 EHADRM C/C(=C(/F)C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1)C1CC1 ZINC001588933256 984611754 /nfs/dbraw/zinc/61/17/54/984611754.db2.gz QSYOBLVMPBLJSD-MLJKTZRHSA-N -1 0 325.767 3.626 20 0 EHADRM C/C(=C/C(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1)c1cccs1 ZINC001588938504 984622410 /nfs/dbraw/zinc/62/24/10/984622410.db2.gz CDADTMAXHLXNDM-HGPCXVNDSA-N -1 0 333.384 3.541 20 0 EHADRM C/C(=C/C(=O)NCC(C)(C)CC(=O)[O-])c1ccccc1C(F)(F)F ZINC001588938942 984625680 /nfs/dbraw/zinc/62/56/80/984625680.db2.gz NQWDJLVHWALEQK-FLIBITNWSA-N -1 0 343.345 3.726 20 0 EHADRM C/C(=C/C(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1)c1ccc(F)cc1 ZINC001588939194 984628012 /nfs/dbraw/zinc/62/80/12/984628012.db2.gz LVRGKLHEPMKSGF-LENZSSGSSA-N -1 0 345.345 3.619 20 0 EHADRM C/C(=C/C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)c1ccco1 ZINC001588943898 984642936 /nfs/dbraw/zinc/64/29/36/984642936.db2.gz HTXUNEQDNUEKKX-CLFYSBASSA-N -1 0 337.278 3.621 20 0 EHADRM C[C@H](C(=O)OCCOc1ccc(/C=C\C(=O)[O-])cc1)c1ccccc1 ZINC001599888621 984667057 /nfs/dbraw/zinc/66/70/57/984667057.db2.gz UDZYTNXZNFANKK-LMRWQKIVSA-N -1 0 340.375 3.510 20 0 EHADRM C[C@H](CC(F)(F)F)C(=O)N(c1ccccc1C(=O)[O-])C1CCC1 ZINC001599890030 984682998 /nfs/dbraw/zinc/68/29/98/984682998.db2.gz ITYRJVRCASQFPY-SNVBAGLBSA-N -1 0 329.318 3.859 20 0 EHADRM C/C(=C\C(=O)Oc1ccc(N(C)C)c(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001588952620 984687786 /nfs/dbraw/zinc/68/77/86/984687786.db2.gz AWRSCBJRMOIOTD-ZRDIBKRKSA-N -1 0 343.354 3.599 20 0 EHADRM C[C@H](CC(=O)[O-])OC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC001599890542 984688711 /nfs/dbraw/zinc/68/87/11/984688711.db2.gz PQNKQJJUUCQADF-LLVKDONJSA-N -1 0 325.320 3.515 20 0 EHADRM C/C(=C/C(=O)[O-])COc1ccc(Br)cc1C(F)(F)F ZINC001588952879 984689555 /nfs/dbraw/zinc/68/95/55/984689555.db2.gz VKCATGSJNATMST-DAXSKMNVSA-N -1 0 339.107 3.878 20 0 EHADRM C/C(=C\C1CCC(C)CC1)C(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC001588956403 984703056 /nfs/dbraw/zinc/70/30/56/984703056.db2.gz NUYLPGMIVNHPHB-KTVVWSSJSA-N -1 0 333.403 3.840 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001599905665 984919042 /nfs/dbraw/zinc/91/90/42/984919042.db2.gz BCSUZZMANBFKAC-RJCSOLBVSA-N -1 0 333.771 3.864 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)N1C[C@H](C(=O)[O-])Cc2ccccc21 ZINC001588995469 984924409 /nfs/dbraw/zinc/92/44/09/984924409.db2.gz KUQAROWKJOBLKL-HAZIXKIPSA-N -1 0 335.403 3.688 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)Cc2ccc(Cl)cc2Cl)(C(=O)[O-])CC1 ZINC001599907121 984938352 /nfs/dbraw/zinc/93/83/52/984938352.db2.gz HNWPXDJEQBCQNW-HZRBXJLLSA-N -1 0 344.238 3.686 20 0 EHADRM C/C(=C/c1ccco1)C(=O)N[C@]1(C(=O)[O-])CC[C@H](C)c2ccccc21 ZINC001589010863 984983803 /nfs/dbraw/zinc/98/38/03/984983803.db2.gz RDJYHIZVZVLGKX-PKAGPRSWSA-N -1 0 339.391 3.677 20 0 EHADRM C[C@H]1CN(C(=O)N[C@@H]2CCC(C)(C)c3ccccc32)C[C@]1(C)C(=O)[O-] ZINC001599918040 985087453 /nfs/dbraw/zinc/08/74/53/985087453.db2.gz CDCJNKWLDZPLPL-OWZDWXTDSA-N -1 0 344.455 3.551 20 0 EHADRM CCOC(=O)c1sc2cccc(F)c2c1CS[C@H](C)C(=O)[O-] ZINC001596761096 985149805 /nfs/dbraw/zinc/14/98/05/985149805.db2.gz OVCQHEXGSOTNMQ-MRVPVSSYSA-N -1 0 342.413 3.923 20 0 EHADRM CCO[C@@H](C)c1ncc(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)s1 ZINC001596775256 985206270 /nfs/dbraw/zinc/20/62/70/985206270.db2.gz BONPFUFRCBZPTQ-QWRGUYRKSA-N -1 0 348.424 3.681 20 0 EHADRM O=S(=O)(Cc1ccccc1)[N-]c1nc(-c2cccs2)cs1 ZINC000153446901 1125492524 /nfs/dbraw/zinc/49/25/24/1125492524.db2.gz XUTGZJUWROTANI-UHFFFAOYSA-N -1 0 336.463 3.814 20 0 EHADRM C[C@]1(C(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)C[C@@H]1c1ccccc1 ZINC001599937930 985419324 /nfs/dbraw/zinc/41/93/24/985419324.db2.gz QLRWLLRKAHNUQG-ACJLOTCBSA-N -1 0 342.420 3.531 20 0 EHADRM C[C@]1(c2ccccc2)C[C@H]1C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001599938650 985427875 /nfs/dbraw/zinc/42/78/75/985427875.db2.gz NOXMERXDDKOKIU-BBATYDOGSA-N -1 0 331.318 3.579 20 0 EHADRM Cc1[nH]c(C(=O)[C@@H](C)N[C@H](C)c2ccccc2Cl)c(C)c1C(=O)[O-] ZINC001599943254 985482782 /nfs/dbraw/zinc/48/27/82/985482782.db2.gz IXFQCZIKIBODIU-ZYHUDNBSSA-N -1 0 348.830 3.905 20 0 EHADRM Cc1[nH]c(C(=O)[C@@H](C)Sc2ncc(C(C)C)n2C)c(C)c1C(=O)[O-] ZINC001599947401 985551328 /nfs/dbraw/zinc/55/13/28/985551328.db2.gz CLBZAGWVPYNEBQ-LLVKDONJSA-N -1 0 349.456 3.550 20 0 EHADRM CCOC1CC2(C[C@H]2C(=O)O[C@H]2CCCc3cc(C(=O)[O-])ccc32)C1 ZINC001596851085 985578168 /nfs/dbraw/zinc/57/81/68/985578168.db2.gz ULWXHBQUMBDGCZ-UINJJDOFSA-N -1 0 344.407 3.511 20 0 EHADRM CCO[C@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)C1 ZINC001596855610 985608806 /nfs/dbraw/zinc/60/88/06/985608806.db2.gz XLTFOYBBXOWPFG-ZDUSSCGKSA-N -1 0 342.395 3.571 20 0 EHADRM Cc1[nH]c(C(=O)N[C@@H](c2ccccc2F)C(C)C)c(C)c1C(=O)[O-] ZINC001599952378 985630734 /nfs/dbraw/zinc/63/07/34/985630734.db2.gz JRMPBEWCFOEMAB-OAHLLOKOSA-N -1 0 332.375 3.596 20 0 EHADRM Cc1[nH]c(C(=O)N[C@@H](C)c2ccc(Cl)c(F)c2)c(C)c1C(=O)[O-] ZINC001599953550 985650131 /nfs/dbraw/zinc/65/01/31/985650131.db2.gz WUFPTJGWXSTPDJ-QMMMGPOBSA-N -1 0 338.766 3.613 20 0 EHADRM Cc1[nH]c(C(=O)Nc2ccc3c4c(cccc42)CC3)c(C)c1C(=O)[O-] ZINC001599954999 985673007 /nfs/dbraw/zinc/67/30/07/985673007.db2.gz YDPYVRPSUUGVOE-UHFFFAOYSA-N -1 0 334.375 3.834 20 0 EHADRM CC(C)Cc1nnc([N-]S(=O)(=O)c2cccc3ccccc32)s1 ZINC000047157595 1015150073 /nfs/dbraw/zinc/15/00/73/1015150073.db2.gz QIQUAGNZVGIVOQ-UHFFFAOYSA-N -1 0 347.465 3.691 20 0 EHADRM CC(=O)c1[nH]c(CC(=O)O[C@@H]2C[C@@H](C)CC(C)(C)C2)c(C(=O)[O-])c1C ZINC001589248418 985855552 /nfs/dbraw/zinc/85/55/52/985855552.db2.gz BCSYDPOTPDSPJA-ZWNOBZJWSA-N -1 0 349.427 3.524 20 0 EHADRM CC(=O)c1cc(C(=O)Nc2cc(C(=O)[O-])cs2)ccc1OC(C)C ZINC001589258223 985906777 /nfs/dbraw/zinc/90/67/77/985906777.db2.gz UQMOICDMMUOPMT-UHFFFAOYSA-N -1 0 347.392 3.688 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])[nH]c1NC(=O)c1cc(C2CC2)oc1C1CC1 ZINC001589261014 985915621 /nfs/dbraw/zinc/91/56/21/985915621.db2.gz SQXAJOHFCMQPAM-UHFFFAOYSA-N -1 0 342.351 3.516 20 0 EHADRM CC(=O)c1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)cs1 ZINC001589267917 985949392 /nfs/dbraw/zinc/94/93/92/985949392.db2.gz JRCVVDLAZVKLKT-CYBMUJFWSA-N -1 0 338.768 3.587 20 0 EHADRM Cc1c2ccccc2c(=O)[nH]c1-c1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC001599969287 985975711 /nfs/dbraw/zinc/97/57/11/985975711.db2.gz AYRGZODRULQQOO-UHFFFAOYSA-N -1 0 347.330 3.664 20 0 EHADRM CC(=O)c1ccc(CC(=O)OCc2c(Cl)cccc2C(=O)[O-])cc1 ZINC001589283331 986009214 /nfs/dbraw/zinc/00/92/14/986009214.db2.gz KDPGJJMGNDPHAY-UHFFFAOYSA-N -1 0 346.766 3.527 20 0 EHADRM CC(=O)c1ccc(NC(=S)Nc2scc(C)c2C(=O)[O-])cc1 ZINC001589290079 986024089 /nfs/dbraw/zinc/02/40/89/986024089.db2.gz HWPCOHDIVKLUCY-UHFFFAOYSA-N -1 0 334.422 3.766 20 0 EHADRM CC(=O)c1ccc2ccccc2c1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001589306590 986074463 /nfs/dbraw/zinc/07/44/63/986074463.db2.gz XWMSJPRILWGBAI-CABCVRRESA-N -1 0 339.391 3.872 20 0 EHADRM CC(=O)c1cccc(NC(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC001589311093 986091789 /nfs/dbraw/zinc/09/17/89/986091789.db2.gz HWKWCROXUFBNFE-LBPRGKRZSA-N -1 0 340.379 3.796 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N[C@H](C(=O)[O-])c1ccsc1 ZINC001599977627 986116018 /nfs/dbraw/zinc/11/60/18/986116018.db2.gz ANOGBCSKYOPSBE-ZDUSSCGKSA-N -1 0 329.377 3.667 20 0 EHADRM CC(=O)c1csc(C(=O)O[C@@H]2CCCc3cc(C(=O)[O-])ccc32)c1 ZINC001589322861 986138734 /nfs/dbraw/zinc/13/87/34/986138734.db2.gz QZURBQUVPRVTMQ-OAHLLOKOSA-N -1 0 344.388 3.883 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)[C@H](C)C3CC3)ccc2n1C1CC1 ZINC001599985124 986218547 /nfs/dbraw/zinc/21/85/47/986218547.db2.gz HQMUIMVKPZHJJW-SNVBAGLBSA-N -1 0 327.380 3.934 20 0 EHADRM C[C@@H](C(=O)N(CCC(=O)[O-])Cc1ccccc1)c1ccc(F)c(F)c1 ZINC001589342668 986271265 /nfs/dbraw/zinc/27/12/65/986271265.db2.gz PWFBMISCSJGXJW-CYBMUJFWSA-N -1 0 347.361 3.572 20 0 EHADRM CCOc1c(Cl)cccc1CC(=O)Nc1cccc(C(=O)[O-])c1C ZINC001596992461 986277354 /nfs/dbraw/zinc/27/73/54/986277354.db2.gz IKXYCJTZJKGKSG-UHFFFAOYSA-N -1 0 347.798 3.927 20 0 EHADRM C[C@H](C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21)c1ccc(F)c(F)c1 ZINC001589345579 986279413 /nfs/dbraw/zinc/27/94/13/986279413.db2.gz BXOOZIYWONCOIK-AAEUAGOBSA-N -1 0 345.345 3.673 20 0 EHADRM C[C@H]([C@H](C)C(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1)C(C)(C)C ZINC001589346284 986286375 /nfs/dbraw/zinc/28/63/75/986286375.db2.gz ONKJDISBKQFDBD-MDOVXXIYSA-N -1 0 331.456 3.560 20 0 EHADRM C[C@@H]1CN(c2cc(C(F)(F)F)c(C(=O)[O-])cn2)[C@@H]2CCCC[C@@H]21 ZINC001594561645 986321166 /nfs/dbraw/zinc/32/11/66/986321166.db2.gz LSSYZLUAVQEAJL-GIPNMCIBSA-N -1 0 328.334 3.814 20 0 EHADRM C[C@H](C(=O)N1CCc2cc(C(=O)[O-])ccc21)c1cc2ccccc2o1 ZINC001589365385 986391813 /nfs/dbraw/zinc/39/18/13/986391813.db2.gz TVLJPINLTHYISF-LBPRGKRZSA-N -1 0 335.359 3.824 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CCc2ccc(C)cc21 ZINC001597017155 986392882 /nfs/dbraw/zinc/39/28/82/986392882.db2.gz VMMRIQFHCURQNO-UHFFFAOYSA-N -1 0 340.379 3.687 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NCC(C)(C)CC(F)F ZINC001597022477 986421052 /nfs/dbraw/zinc/42/10/52/986421052.db2.gz TZWDGCFHBCNSIJ-UHFFFAOYSA-N -1 0 344.358 3.586 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC001597023172 986427993 /nfs/dbraw/zinc/42/79/93/986427993.db2.gz XYNZMSQRZLXFQT-UHFFFAOYSA-N -1 0 343.166 3.671 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(C(C)(C)C)cn1 ZINC001597025347 986431150 /nfs/dbraw/zinc/43/11/50/986431150.db2.gz JXOGJFLJTLHDLW-UHFFFAOYSA-N -1 0 342.395 3.728 20 0 EHADRM C[C@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001589385661 986478302 /nfs/dbraw/zinc/47/83/02/986478302.db2.gz LBAZIFKSMNQRJJ-MEDUHNTESA-N -1 0 349.789 3.915 20 0 EHADRM CCOc1cc(NC(=O)Nc2cccc(OCC(=O)[O-])c2)ccc1C ZINC001597043273 986499375 /nfs/dbraw/zinc/49/93/75/986499375.db2.gz RDYXWKOJVTWIQE-UHFFFAOYSA-N -1 0 344.367 3.501 20 0 EHADRM C[C@H](C(=O)NC1(CCC(=O)[O-])CCCCC1)c1ccc(F)c(F)c1 ZINC001589390692 986505845 /nfs/dbraw/zinc/50/58/45/986505845.db2.gz GEWXJIZASDVOAY-LBPRGKRZSA-N -1 0 339.382 3.752 20 0 EHADRM CCOc1ccc(-c2noc([C@H]3CCC[C@H](C(=O)[O-])C3)n2)cc1F ZINC001597049858 986525977 /nfs/dbraw/zinc/52/59/77/986525977.db2.gz JYGKTNDBXGXDPU-RYUDHWBXSA-N -1 0 334.347 3.633 20 0 EHADRM C[C@@H]1Cc2cccc(C(=O)Oc3ccc(C(=O)[O-])cc3Cl)c2O1 ZINC001594620791 986659028 /nfs/dbraw/zinc/65/90/28/986659028.db2.gz REDUXMIBLWCGJT-SECBINFHSA-N -1 0 332.739 3.581 20 0 EHADRM CCOc1ccc(CCC(=O)Nc2c(C)csc2C(=O)[O-])cc1 ZINC001597095658 986695201 /nfs/dbraw/zinc/69/52/01/986695201.db2.gz JUSIQYORBGPXHV-UHFFFAOYSA-N -1 0 333.409 3.725 20 0 EHADRM CCOc1ccc(CNC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cc1 ZINC001597101316 986716209 /nfs/dbraw/zinc/71/62/09/986716209.db2.gz SKOKQFPDSLFTAD-CYBMUJFWSA-N -1 0 342.395 3.595 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(C(=O)[O-])c2ccccc12)c1cccc(O)c1 ZINC001589431065 986724112 /nfs/dbraw/zinc/72/41/12/986724112.db2.gz DDVSSOWSZSQVIA-GFCCVEGCSA-N -1 0 335.359 3.986 20 0 EHADRM CCOc1ccc(NC(=O)[C@@H](C)c2cccc(C)c2)c(C(=O)[O-])c1F ZINC001597113421 986786191 /nfs/dbraw/zinc/78/61/91/986786191.db2.gz SZEMSZLKIVCUBM-LBPRGKRZSA-N -1 0 345.370 3.973 20 0 EHADRM CCOc1ccc(NC(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)c(C)c1 ZINC001597119321 986805090 /nfs/dbraw/zinc/80/50/90/986805090.db2.gz QYHLIKYKSOFIEQ-MRXNPFEDSA-N -1 0 348.443 3.796 20 0 EHADRM C[C@@H]1OCC[C@H]1C(=O)Nc1sc(C2CCCCC2)cc1C(=O)[O-] ZINC001594643204 986815464 /nfs/dbraw/zinc/81/54/64/986815464.db2.gz DNCCWGLUHMTGRK-CMPLNLGQSA-N -1 0 337.441 3.858 20 0 EHADRM CCOc1ccc(OCCSCc2nc(C(=O)[O-])cs2)cc1 ZINC001597132820 986860561 /nfs/dbraw/zinc/86/05/61/986860561.db2.gz SQLISSWOHICKMK-UHFFFAOYSA-N -1 0 339.438 3.552 20 0 EHADRM CCOc1ccc2c(c1)[C@@H](NCc1cc(C(=O)[O-])c(CC)o1)CCO2 ZINC001597142674 986889871 /nfs/dbraw/zinc/88/98/71/986889871.db2.gz GCJAZJFLQKCGBM-INIZCTEOSA-N -1 0 345.395 3.552 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(C(C)(C)C)cn1)c1ccccc1 ZINC001589461545 986911816 /nfs/dbraw/zinc/91/18/16/986911816.db2.gz GGTRAXQKBUYENS-SUMWQHHRSA-N -1 0 340.423 3.571 20 0 EHADRM CCOc1cccc(/C=C/C(=O)Nc2ccc(C(=O)[O-])cc2CC)c1 ZINC001597148505 986911845 /nfs/dbraw/zinc/91/18/45/986911845.db2.gz CHUMTCUOBDNLLV-DHZHZOJOSA-N -1 0 339.391 3.998 20 0 EHADRM CCOc1cccc(/C=C\C(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001597149346 986918852 /nfs/dbraw/zinc/91/88/52/986918852.db2.gz JDZCJRTZRHKBFP-YFHOEESVSA-N -1 0 325.364 3.744 20 0 EHADRM CCOc1cccc(/C=C\C(=O)Nc2sc(C)cc2C(=O)[O-])c1 ZINC001597149947 986923226 /nfs/dbraw/zinc/92/32/26/986923226.db2.gz MXGZPOAGQHROMV-FPLPWBNLSA-N -1 0 331.393 3.805 20 0 EHADRM C[C@@H]1c2ccccc2CCN1CC(=O)c1c[nH]c2ccc(C(=O)[O-])cc12 ZINC001594666889 986968639 /nfs/dbraw/zinc/96/86/39/986968639.db2.gz BBZVNMDFDZGFKH-CYBMUJFWSA-N -1 0 348.402 3.668 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)c1ccc(Cl)cc1C(F)(F)F)C1CCC1 ZINC001589477000 986979923 /nfs/dbraw/zinc/97/99/23/986979923.db2.gz KEXPWCHKPKEHKO-QMMMGPOBSA-N -1 0 349.736 3.827 20 0 EHADRM C[C@H]1c2ccsc2CCN1C(=O)c1ccccc1CCC(=O)[O-] ZINC001594671738 986986888 /nfs/dbraw/zinc/98/68/88/986986888.db2.gz VBQWOADRUZEFAK-LBPRGKRZSA-N -1 0 329.421 3.525 20 0 EHADRM CCOc1ccccc1CCC(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC001597173562 987019427 /nfs/dbraw/zinc/01/94/27/987019427.db2.gz KMWKLHSQQFYMOF-SFHVURJKSA-N -1 0 346.354 3.526 20 0 EHADRM C/C=C/c1ccc(OCC(=O)Nc2ccsc2C(=O)[O-])c(OC)c1 ZINC001594692067 987100259 /nfs/dbraw/zinc/10/02/59/987100259.db2.gz RIPMFDVSZYMMJV-ONEGZZNKSA-N -1 0 347.392 3.506 20 0 EHADRM CC/C(=C/C(=O)N(C1CC1)C1(C(=O)[O-])CCC1)c1ccc(C)cc1 ZINC001594692171 987100965 /nfs/dbraw/zinc/10/09/65/987100965.db2.gz WEVNEEXWTBPJKQ-SQFISAMPSA-N -1 0 327.424 3.787 20 0 EHADRM CC/C(=C\C(=O)Nc1ccc(C(=O)[O-])s1)c1ccc(OC)cc1 ZINC001594694315 987107593 /nfs/dbraw/zinc/10/75/93/987107593.db2.gz URKSIEJQWIDPEU-ZHACJKMWSA-N -1 0 331.393 3.887 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N[C@@H]2C[C@H]2c2ccccc2F)cc1 ZINC001589512736 987151878 /nfs/dbraw/zinc/15/18/78/987151878.db2.gz WCVPQELYOGVEEZ-XNJJOIOASA-N -1 0 342.370 3.691 20 0 EHADRM CCC(=O)N1CCc2ccc(N[C@H](C)CC(C)(C)CC(=O)[O-])cc21 ZINC001594706037 987152190 /nfs/dbraw/zinc/15/21/90/987152190.db2.gz SQHQLPCSDLHHBW-CYBMUJFWSA-N -1 0 332.444 3.677 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N[C@H]2c3ccccc3O[C@H]2C)cc1 ZINC001589512819 987152678 /nfs/dbraw/zinc/15/26/78/987152678.db2.gz LYJHRVSAJHKFTI-NVGCLXPQSA-N -1 0 340.379 3.518 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N[C@@H]2c3ccccc3O[C@H]2C)cc1 ZINC001589512821 987152779 /nfs/dbraw/zinc/15/27/79/987152779.db2.gz LYJHRVSAJHKFTI-PRXAMGSTSA-N -1 0 340.379 3.518 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cc(Cl)cc(F)c2N)cc1 ZINC001589522070 987173406 /nfs/dbraw/zinc/17/34/06/987173406.db2.gz ZEQYUBNXQNCLCE-MRVPVSSYSA-N -1 0 336.750 3.502 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cn(C)nc2-c2ccccc2)c1 ZINC001589531476 987203512 /nfs/dbraw/zinc/20/35/12/987203512.db2.gz FNSPKCXKRHDXNP-ZDUSSCGKSA-N -1 0 349.390 3.528 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2ccc3ncsc3c2)c1 ZINC001589531773 987206809 /nfs/dbraw/zinc/20/68/09/987206809.db2.gz JRSPOELJXOFVPD-SNVBAGLBSA-N -1 0 326.377 3.737 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2csc(-c3ccco3)n2)c1 ZINC001589532619 987216419 /nfs/dbraw/zinc/21/64/19/987216419.db2.gz RXOKALMSOOXCAM-JTQLQIEISA-N -1 0 342.376 3.844 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1 ZINC001594725107 987226011 /nfs/dbraw/zinc/22/60/11/987226011.db2.gz LGWDUQZFUKXLPK-RISCZKNCSA-N -1 0 345.361 3.911 20 0 EHADRM C[C@@H](C(=O)O[C@H](C(=O)[O-])c1ccccc1F)c1ccc(F)c(F)c1 ZINC001589538886 987232694 /nfs/dbraw/zinc/23/26/94/987232694.db2.gz AQRNCNZEGZCAAM-PSLIRLAXSA-N -1 0 338.281 3.577 20 0 EHADRM C[C@H](C(=O)O[C@@H](C(=O)[O-])c1ccccc1F)c1ccc(F)c(F)c1 ZINC001589538881 987232881 /nfs/dbraw/zinc/23/28/81/987232881.db2.gz AQRNCNZEGZCAAM-BJOHPYRUSA-N -1 0 338.281 3.577 20 0 EHADRM C[C@@H](C(=O)OC1CC(CC(=O)[O-])C1)c1c(Cl)cccc1Cl ZINC001589544372 987265601 /nfs/dbraw/zinc/26/56/01/987265601.db2.gz ZPQIIZWCTZVZPF-XNWIYYODSA-N -1 0 331.195 3.893 20 0 EHADRM CC[C@H](C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1)c1c(C)noc1C ZINC001594735102 987266949 /nfs/dbraw/zinc/26/69/49/987266949.db2.gz IAKTUXBVVDWLTA-BMIGLBTASA-N -1 0 330.384 3.612 20 0 EHADRM C[C@@H](C(=O)OCCc1ccccc1C(=O)[O-])c1c(F)cccc1F ZINC001589548755 987279658 /nfs/dbraw/zinc/27/96/58/987279658.db2.gz NRHKPGDZJVRAOU-LLVKDONJSA-N -1 0 334.318 3.552 20 0 EHADRM CCSc1ccc(CC(=O)Oc2cccc(CC(=O)[O-])c2)cc1 ZINC001597272778 987324484 /nfs/dbraw/zinc/32/44/84/987324484.db2.gz NBWKCJHIMZVWEQ-UHFFFAOYSA-N -1 0 330.405 3.574 20 0 EHADRM CC(C)(C(=O)N1CCc2c1cccc2C(=O)[O-])c1ccc(F)cc1F ZINC001589563559 987325751 /nfs/dbraw/zinc/32/57/51/987325751.db2.gz HPBYMDHULICATA-UHFFFAOYSA-N -1 0 345.345 3.530 20 0 EHADRM CCSc1cccc(NC(=O)NC(C)(C)c2cc(C(=O)[O-])on2)c1 ZINC001597277236 987333807 /nfs/dbraw/zinc/33/38/07/987333807.db2.gz KIWPUCXWVLCPPV-UHFFFAOYSA-N -1 0 349.412 3.542 20 0 EHADRM CCSc1ccccc1OCC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001597280174 987350692 /nfs/dbraw/zinc/35/06/92/987350692.db2.gz SKHBDRAKAPOVRM-UHFFFAOYSA-N -1 0 333.409 3.703 20 0 EHADRM CC(C)(C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])c1ccc(Cl)cc1F ZINC001589575118 987352600 /nfs/dbraw/zinc/35/26/00/987352600.db2.gz ZJZCICXRPHKTET-IINYFYTJSA-N -1 0 341.810 3.516 20 0 EHADRM CC(C)(C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)c1ccccn1 ZINC001589576680 987355460 /nfs/dbraw/zinc/35/54/60/987355460.db2.gz QUNRRCSQKOMDLG-UHFFFAOYSA-N -1 0 340.404 3.911 20 0 EHADRM CC[C@@H]1CC[C@@H](C)N(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)C1 ZINC001597294228 987392533 /nfs/dbraw/zinc/39/25/33/987392533.db2.gz UZBZFGQRQCKVNT-CHWSQXEVSA-N -1 0 341.411 3.975 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1ccc(CF)cc1)c1ccccc1 ZINC001589599022 987421167 /nfs/dbraw/zinc/42/11/67/987421167.db2.gz RXWZGSPZUUAKEX-MRXNPFEDSA-N -1 0 329.371 3.738 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)/C(F)=C\C2CCCCC2)C1 ZINC001589602724 987437853 /nfs/dbraw/zinc/43/78/53/987437853.db2.gz JDJCPJUWZBDMOW-XDPMZMSMSA-N -1 0 325.424 3.770 20 0 EHADRM CC[C@H](NC(=O)NCc1ccc(C(=O)[O-])s1)c1ccccc1F ZINC001597335860 987472697 /nfs/dbraw/zinc/47/26/97/987472697.db2.gz FQQRSGPKFBIZNY-ZDUSSCGKSA-N -1 0 336.388 3.536 20 0 EHADRM CC(C)(C(=O)[O-])N(Cc1ccccc1)C(=O)CCCc1cccs1 ZINC001589616508 987480571 /nfs/dbraw/zinc/48/05/71/987480571.db2.gz FTSHLRXPNDKPME-UHFFFAOYSA-N -1 0 345.464 3.963 20 0 EHADRM CC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2cc3ccccc3o2)C(=O)[O-])CC1 ZINC001597355441 987501515 /nfs/dbraw/zinc/50/15/15/987501515.db2.gz FUNGUZSJEASCPK-ZQIUZPCESA-N -1 0 343.423 3.761 20 0 EHADRM CCc1[nH]c(C(=O)N(Cc2ccco2)C2CCCC2)c(C)c1C(=O)[O-] ZINC001597357746 987509977 /nfs/dbraw/zinc/50/99/77/987509977.db2.gz JFDLNFJIYSYHMV-UHFFFAOYSA-N -1 0 344.411 3.762 20 0 EHADRM CCc1[nH]c(C(=O)N[C@@H]2CCC[C@H]2CCC(C)C)c(C)c1C(=O)[O-] ZINC001597367318 987541549 /nfs/dbraw/zinc/54/15/49/987541549.db2.gz QFXYKHJFJHYIPX-DZGCQCFKSA-N -1 0 334.460 3.918 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC[C@@H]2C[C@]2(C)Br)cc1 ZINC001589640661 987562263 /nfs/dbraw/zinc/56/22/63/987562263.db2.gz ASFNPRFORZAWNF-NHYWBVRUSA-N -1 0 326.234 3.634 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(NC(=O)[C@H]2CCCC[C@@H]2C2CC2)n1 ZINC001589648910 987583806 /nfs/dbraw/zinc/58/38/06/987583806.db2.gz FGPICDQSZHUKHW-NEPJUHHUSA-N -1 0 336.457 3.660 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)c2ccn(C3CCCC3)n2)c1 ZINC001589650970 987599806 /nfs/dbraw/zinc/59/98/06/987599806.db2.gz QWYBBFXHXRVOML-UHFFFAOYSA-N -1 0 342.395 3.580 20 0 EHADRM CCc1[nH]c(CNc2ccc(-c3ocnc3C)cc2)cc1C(=O)[O-] ZINC001597394853 987643834 /nfs/dbraw/zinc/64/38/34/987643834.db2.gz IDAVPCVFRDWQOP-UHFFFAOYSA-N -1 0 325.368 3.851 20 0 EHADRM CCc1c(NCc2ccc(C(=O)[O-])[nH]2)cnn1-c1ccc(Cl)cc1 ZINC001597419938 987728803 /nfs/dbraw/zinc/72/88/03/987728803.db2.gz QSKPOIGFRMVCRX-UHFFFAOYSA-N -1 0 344.802 3.727 20 0 EHADRM CCc1c(NC(=O)c2cc(F)cc(C(=O)[O-])c2)cnn1CCC(C)C ZINC001597420463 987735866 /nfs/dbraw/zinc/73/58/66/987735866.db2.gz WWBOXFDXHMKCCY-UHFFFAOYSA-N -1 0 347.390 3.581 20 0 EHADRM CCc1cc(C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)sc1-c1ccccc1 ZINC001597426084 987750429 /nfs/dbraw/zinc/75/04/29/987750429.db2.gz BCLOJJUWKDTWQX-GASCZTMLSA-N -1 0 343.448 3.913 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)[C@H]1CCC[C@H]1Cc1ccccc1 ZINC001589699887 987788400 /nfs/dbraw/zinc/78/84/00/987788400.db2.gz HRGOVBSEHBBHRE-ULQDDVLXSA-N -1 0 331.456 3.651 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2ccc3nc(C)oc3c2)s1 ZINC001597445317 987817291 /nfs/dbraw/zinc/81/72/91/987817291.db2.gz KXIBMSIXSCPBGD-UHFFFAOYSA-N -1 0 330.365 3.711 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)Cc1ccccc1F ZINC001597449450 987833321 /nfs/dbraw/zinc/83/33/21/987833321.db2.gz DIVRJHAKKXKQRO-GFCCVEGCSA-N -1 0 329.371 3.904 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)COC[C@@H](C)c1ccccc1 ZINC001597452667 987850549 /nfs/dbraw/zinc/85/05/49/987850549.db2.gz VMTDKIAILHOSLR-CQSZACIVSA-N -1 0 341.407 3.706 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)Nc1nc(CC(=O)[O-])cs1)c1ccccc1 ZINC001589717278 987865741 /nfs/dbraw/zinc/86/57/41/987865741.db2.gz WWCGHLPYMZANIS-AWEZNQCLSA-N -1 0 347.440 3.679 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NC[C@@H](C)CC(F)(F)F ZINC001597459287 987884699 /nfs/dbraw/zinc/88/46/99/987884699.db2.gz ZEPIUDNXECFVMC-VIFPVBQESA-N -1 0 332.322 3.657 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cc(COC(C)(C)C)on1 ZINC001597463775 987893693 /nfs/dbraw/zinc/89/36/93/987893693.db2.gz DTLRYJQWGSYGCA-UHFFFAOYSA-N -1 0 346.383 3.503 20 0 EHADRM CC(C)(C)C1CCC(CNc2ccc(C(=O)NCC(=O)[O-])cc2)CC1 ZINC001589729327 987944162 /nfs/dbraw/zinc/94/41/62/987944162.db2.gz WXPWNUIOACNBKN-UHFFFAOYSA-N -1 0 346.471 3.765 20 0 EHADRM CC(C)(C)[C@@H]1CCCN(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)C1 ZINC001589733016 987972783 /nfs/dbraw/zinc/97/27/83/987972783.db2.gz WCPQLQYUPYYJTG-CYBMUJFWSA-N -1 0 336.407 3.743 20 0 EHADRM CS[C@@H]1CCC[C@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2C)C1 ZINC001599789141 987977231 /nfs/dbraw/zinc/97/72/31/987977231.db2.gz QQXWJNLUWSSEPX-WDEREUQCSA-N -1 0 340.420 3.628 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)CCCc1ccccc1Cl)C(=O)[O-] ZINC001589743261 988023658 /nfs/dbraw/zinc/02/36/58/988023658.db2.gz IUYJFDNLBBHIGR-CQSZACIVSA-N -1 0 325.836 3.668 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)[C@@H](c1ccncc1)C1CCCCC1)C(=O)[O-] ZINC001589743263 988024322 /nfs/dbraw/zinc/02/43/22/988024322.db2.gz IWJYILJQMONTLM-IAGOWNOFSA-N -1 0 346.471 3.751 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001589743436 988027239 /nfs/dbraw/zinc/02/72/39/988027239.db2.gz NPDLTYKFMCFHOD-CYBMUJFWSA-N -1 0 346.254 3.932 20 0 EHADRM CSCC1CCC(NC(=O)Nc2cc(C(=O)[O-])sc2C)CC1 ZINC001599792780 988039039 /nfs/dbraw/zinc/03/90/39/988039039.db2.gz ZUWCJKJGCONZDJ-UHFFFAOYSA-N -1 0 342.486 3.798 20 0 EHADRM CCc1ccc(C(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)cc1 ZINC001597500208 988053061 /nfs/dbraw/zinc/05/30/61/988053061.db2.gz GRCPSUORSINOSA-SPLOXXLWSA-N -1 0 337.419 3.856 20 0 EHADRM CCc1ccc(C(=O)NCCc2cc3ccc(C(=O)[O-])cc3o2)cc1 ZINC001597500946 988061878 /nfs/dbraw/zinc/06/18/78/988061878.db2.gz FWXRRAHQLRQSBM-UHFFFAOYSA-N -1 0 337.375 3.666 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)Nc2cnc(C)c(C(=O)[O-])c2)cc1 ZINC001597511561 988092000 /nfs/dbraw/zinc/09/20/00/988092000.db2.gz CWCFIQCVUDPYQN-GFCCVEGCSA-N -1 0 326.396 3.783 20 0 EHADRM CCc1ccc([C@H](C)C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001597511738 988093515 /nfs/dbraw/zinc/09/35/15/988093515.db2.gz GNMMAEFQRXTJTQ-KSSFIOAISA-N -1 0 331.456 3.750 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N2c3cccc(C)c3C[C@H]2C(=O)[O-])cc1 ZINC001597512203 988096794 /nfs/dbraw/zinc/09/67/94/988096794.db2.gz RYYAFZYMIHJZES-LIRRHRJNSA-N -1 0 337.419 3.703 20 0 EHADRM CC(C)(C)C[C@@H](Sc1n[nH]c(CCC2CCCC2)n1)C(=O)[O-] ZINC001589762115 988097133 /nfs/dbraw/zinc/09/71/33/988097133.db2.gz YAINDZPVVMUFIK-GFCCVEGCSA-N -1 0 325.478 3.909 20 0 EHADRM CCc1ccc([C@@H]2C[C@@H](C)CCN2Cc2ncc(C(=O)[O-])s2)o1 ZINC001597516249 988126443 /nfs/dbraw/zinc/12/64/43/988126443.db2.gz BVYQASHGUHIFBS-AAEUAGOBSA-N -1 0 334.441 3.970 20 0 EHADRM CCc1ccc([C@H]2CCN(C(=O)CC3(CC(=O)[O-])CCCC3)C2)cc1 ZINC001597516546 988127428 /nfs/dbraw/zinc/12/74/28/988127428.db2.gz CXQWVMAOCZOBAW-SFHVURJKSA-N -1 0 343.467 3.990 20 0 EHADRM CCc1ccc([C@@H]2CCCCCN2C(=O)N[C@H]2CC=C(C(=O)[O-])C2)o1 ZINC001597517846 988135540 /nfs/dbraw/zinc/13/55/40/988135540.db2.gz QBLWQBVQHOULKL-HOCLYGCPSA-N -1 0 346.427 3.642 20 0 EHADRM CCc1ccc(CCC(=O)NC[C@H](C(=O)[O-])C2CCCCCC2)cc1 ZINC001597523366 988159498 /nfs/dbraw/zinc/15/94/98/988159498.db2.gz PBWHXKPNYZQFKU-IBGZPJMESA-N -1 0 345.483 3.969 20 0 EHADRM CCc1ccc(CCC(=O)Oc2ccc(SCC(=O)[O-])cc2)cc1 ZINC001597523621 988160681 /nfs/dbraw/zinc/16/06/81/988160681.db2.gz ZSIBBCXKABIXOR-UHFFFAOYSA-N -1 0 344.432 3.964 20 0 EHADRM CC(C)(C)C[C@@H]1C[C@H]1c1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC001589788972 988174177 /nfs/dbraw/zinc/17/41/77/988174177.db2.gz KJHCNQUWPFOXRA-GXTWGEPZSA-N -1 0 330.384 3.887 20 0 EHADRM CC(C)(C)Cc1nc2cc(NC(=O)NCC(C)(C)C(=O)[O-])ccc2o1 ZINC001589793407 988184668 /nfs/dbraw/zinc/18/46/68/988184668.db2.gz UCNAGWOUFFTSKC-UHFFFAOYSA-N -1 0 347.415 3.649 20 0 EHADRM CCc1ccc(N(C(=O)c2ccc(OCC(=O)[O-])cc2)C(C)C)cc1 ZINC001597530498 988185509 /nfs/dbraw/zinc/18/55/09/988185509.db2.gz CZBDBFGJJGLUQA-UHFFFAOYSA-N -1 0 341.407 3.768 20 0 EHADRM CCc1ccc(NC(=O)COC/C=C\c2ccccc2)c(C(=O)[O-])c1 ZINC001597545052 988244994 /nfs/dbraw/zinc/24/49/94/988244994.db2.gz ORLIBNWRVMZPHR-TWGQIWQCSA-N -1 0 339.391 3.616 20 0 EHADRM CCc1ccc(NC(=O)NC[C@H](CC2CCCC2)C(=O)[O-])cc1C ZINC001597546949 988254675 /nfs/dbraw/zinc/25/46/75/988254675.db2.gz NIVVYRMAXDZSRQ-INIZCTEOSA-N -1 0 332.444 3.960 20 0 EHADRM CSc1c(F)cccc1C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC001599806534 988264863 /nfs/dbraw/zinc/26/48/63/988264863.db2.gz YMYXDGXFHPRJFY-AWEZNQCLSA-N -1 0 339.432 3.701 20 0 EHADRM CCc1ccc(NC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)cc1Cl ZINC001597548448 988264884 /nfs/dbraw/zinc/26/48/84/988264884.db2.gz VMAWOLRMSWEKGN-CYBMUJFWSA-N -1 0 326.824 3.913 20 0 EHADRM CSc1cc(C(=O)NC[C@H](C(=O)[O-])C2CCCCCC2)c(C)o1 ZINC001599806691 988267764 /nfs/dbraw/zinc/26/77/64/988267764.db2.gz QMNROHWJNTZMAV-AWEZNQCLSA-N -1 0 339.457 3.711 20 0 EHADRM CCc1ccc(NC(=O)c2ccc3nc(C)c(C)nc3c2)c(C(=O)[O-])c1 ZINC001597550673 988269382 /nfs/dbraw/zinc/26/93/82/988269382.db2.gz JUAIYSZDDZSQNK-UHFFFAOYSA-N -1 0 349.390 3.760 20 0 EHADRM CCc1ccc(NCc2nnc(-c3ccc(C)cc3)o2)c(C(=O)[O-])c1 ZINC001597551768 988276986 /nfs/dbraw/zinc/27/69/86/988276986.db2.gz MNHQGNNOGGQNNR-UHFFFAOYSA-N -1 0 337.379 3.918 20 0 EHADRM CSc1cc(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)c(C)o1 ZINC001599807562 988280568 /nfs/dbraw/zinc/28/05/68/988280568.db2.gz RNIRUDQNDUZBOD-UHFFFAOYSA-N -1 0 330.365 3.742 20 0 EHADRM CCc1ccc([C@@H](C)NC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC001597562330 988305694 /nfs/dbraw/zinc/30/56/94/988305694.db2.gz CVWAZBDVDKCVMW-PBHICJAKSA-N -1 0 346.471 3.842 20 0 EHADRM CSc1ccc(C(=O)N2CCCc3ccc(C(=O)[O-])cc32)cc1 ZINC001599809439 988308482 /nfs/dbraw/zinc/30/84/82/988308482.db2.gz FNMYAPIGFQIORO-UHFFFAOYSA-N -1 0 327.405 3.700 20 0 EHADRM CSc1cc(NCCCCC2(C(=O)[O-])CCC2)nc(SC)n1 ZINC001599809969 988318024 /nfs/dbraw/zinc/31/80/24/988318024.db2.gz XRMGHQLASGTZHF-UHFFFAOYSA-N -1 0 341.502 3.758 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)/C=C(\C)c2ccco2)cc1 ZINC001599810957 988333885 /nfs/dbraw/zinc/33/38/85/988333885.db2.gz KCPADOIYCZHHQF-PABFRNLHSA-N -1 0 345.420 3.737 20 0 EHADRM CCc1ccc2ccccc2c1CNC(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001597569618 988338115 /nfs/dbraw/zinc/33/81/15/988338115.db2.gz YAJHTUSIGNBMBA-UHFFFAOYSA-N -1 0 349.390 3.817 20 0 EHADRM CCc1ccc2occ(C(=O)NCc3ccc(C(=O)[O-])cc3F)c2c1 ZINC001597570680 988348989 /nfs/dbraw/zinc/34/89/89/988348989.db2.gz XULQKPKWUIQWGF-UHFFFAOYSA-N -1 0 341.338 3.763 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)[C@H](C)Cc1ccc(F)cc1 ZINC001597576242 988364165 /nfs/dbraw/zinc/36/41/65/988364165.db2.gz JCHMECDOFUYLBO-GFCCVEGCSA-N -1 0 329.371 3.904 20 0 EHADRM CSc1ccc(CNC(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC001599813338 988377375 /nfs/dbraw/zinc/37/73/75/988377375.db2.gz PMDXKHOUCOEFEV-UHFFFAOYSA-N -1 0 344.436 3.747 20 0 EHADRM CSc1ccc(/C=C/C(=O)Nc2nc(C)c(C(=O)[O-])s2)s1 ZINC001599813463 988378332 /nfs/dbraw/zinc/37/83/32/988378332.db2.gz WGYWWIAZWQONEM-HWKANZROSA-N -1 0 340.451 3.585 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001599814191 988392275 /nfs/dbraw/zinc/39/22/75/988392275.db2.gz GNOKWRVANBHAIV-UHFFFAOYSA-N -1 0 339.804 3.743 20 0 EHADRM CSc1ccc(NC(=O)N2C[C@H](C3CC3)[C@@H]2C2CC2)cc1C(=O)[O-] ZINC001599816927 988443053 /nfs/dbraw/zinc/44/30/53/988443053.db2.gz PAXDNSTUVGPXST-ZBFHGGJFSA-N -1 0 346.452 3.759 20 0 EHADRM CCc1cccc2c(CC(=O)Nc3c(F)cccc3C(=O)[O-])c[nH]c21 ZINC001597603066 988459134 /nfs/dbraw/zinc/45/91/34/988459134.db2.gz ALKCAZBOZKOOHG-UHFFFAOYSA-N -1 0 340.354 3.749 20 0 EHADRM CCc1cccc2c1N(CCOc1ccc(/C=C\C(=O)[O-])cc1)CC2 ZINC001597603311 988463452 /nfs/dbraw/zinc/46/34/52/988463452.db2.gz UKVJFMVCRZJIDA-FLIBITNWSA-N -1 0 337.419 3.788 20 0 EHADRM CSc1ccc(NC(=O)N[C@H](C2CC2)C(F)(F)F)cc1C(=O)[O-] ZINC001599818351 988467900 /nfs/dbraw/zinc/46/79/00/988467900.db2.gz RLVLYQPGBQZPJX-LLVKDONJSA-N -1 0 348.346 3.569 20 0 EHADRM CCc1cccc2c1OCC[C@H]2N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001597603480 988468115 /nfs/dbraw/zinc/46/81/15/988468115.db2.gz DWYUBFFAXNRQHI-GXFFZTMASA-N -1 0 332.425 3.578 20 0 EHADRM CSc1ccc(NC(=O)NCCCC(C)(F)F)cc1C(=O)[O-] ZINC001599818398 988469389 /nfs/dbraw/zinc/46/93/89/988469389.db2.gz FNTGVQJGJWIGHW-UHFFFAOYSA-N -1 0 332.372 3.664 20 0 EHADRM CSc1ccc(NCc2c(F)nccc2Cl)cc1C(=O)[O-] ZINC001599820730 988508688 /nfs/dbraw/zinc/50/86/88/988508688.db2.gz KPPFDBFURVPKGR-UHFFFAOYSA-N -1 0 326.780 3.906 20 0 EHADRM CSc1cccc(N(C)C(=O)Nc2ccc(OCC(=O)[O-])cc2)c1 ZINC001599821909 988528826 /nfs/dbraw/zinc/52/88/26/988528826.db2.gz JRPZDKISYVHDIZ-UHFFFAOYSA-N -1 0 346.408 3.540 20 0 EHADRM CCc1ccccc1NC(=O)COc1ccc(C(=O)[O-])cc1Cl ZINC001597615244 988533147 /nfs/dbraw/zinc/53/31/47/988533147.db2.gz XSFRIUQEBBFIHL-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM CSc1ccccc1CC(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC001599823863 988562616 /nfs/dbraw/zinc/56/26/16/988562616.db2.gz INQZMNIYINDOIO-UHFFFAOYSA-N -1 0 335.812 3.941 20 0 EHADRM CC(C)(C)OC(=O)CN(CCC(=O)[O-])Cc1cccc(C(C)(C)C)c1 ZINC001589892120 988586231 /nfs/dbraw/zinc/58/62/31/988586231.db2.gz QPZCHQDBXDNNQQ-UHFFFAOYSA-N -1 0 349.471 3.603 20 0 EHADRM C[C@@H](C(=O)[O-])N(C)C(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC001599831407 988680648 /nfs/dbraw/zinc/68/06/48/988680648.db2.gz QMJXIJVAKCVRFN-NSHDSACASA-N -1 0 335.444 3.532 20 0 EHADRM CCc1nc([C@H](C)NC(=O)Nc2cc(C(=O)[O-])sc2C)cs1 ZINC001597655691 988703659 /nfs/dbraw/zinc/70/36/59/988703659.db2.gz BDOPRMJMSDEEEB-ZETCQYMHSA-N -1 0 339.442 3.656 20 0 EHADRM CCc1nc(NC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)sc1C ZINC001597680472 988806968 /nfs/dbraw/zinc/80/69/68/988806968.db2.gz MZGDETNEWBEPNB-VIFPVBQESA-N -1 0 333.413 3.846 20 0 EHADRM C[C@@H](NC(=O)NCc1ccc(C(=O)[O-])s1)c1cc2ccccc2o1 ZINC001599840427 988817279 /nfs/dbraw/zinc/81/72/79/988817279.db2.gz VHYVVRMPRCCNNZ-SNVBAGLBSA-N -1 0 344.392 3.753 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)[C@H](C)C1 ZINC001599848529 988974440 /nfs/dbraw/zinc/97/44/40/988974440.db2.gz QOXDMQBBOYZDEO-NXEZZACHSA-N -1 0 342.342 3.639 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1ccc(OC(F)F)c(OC)c1 ZINC001597767295 989218922 /nfs/dbraw/zinc/21/89/22/989218922.db2.gz IRQUTLFMGYZMHM-UHFFFAOYSA-N -1 0 341.310 3.762 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1cc(-n2cccn2)ccc1C ZINC001597768052 989228877 /nfs/dbraw/zinc/22/88/77/989228877.db2.gz ZORIQGRARKGRMQ-UHFFFAOYSA-N -1 0 325.368 3.646 20 0 EHADRM Cn1ccc2ccc(NC(=O)c3ccc(Br)c([O-])c3)cc21 ZINC000179598968 1015474964 /nfs/dbraw/zinc/47/49/64/1015474964.db2.gz DZBGXGQZXMKVEN-UHFFFAOYSA-N -1 0 345.196 3.899 20 0 EHADRM CCn1c(S[C@@H](C(=O)[O-])C(C)(C)C)nnc1-c1ccc(F)cc1 ZINC001597862415 989642932 /nfs/dbraw/zinc/64/29/32/989642932.db2.gz REZARTZEZCLHGJ-LBPRGKRZSA-N -1 0 337.420 3.696 20 0 EHADRM CCn1c(SCc2ccccc2C(=O)[O-])nnc1-c1ccccc1 ZINC001597864301 989647058 /nfs/dbraw/zinc/64/70/58/989647058.db2.gz DDFCFWLWOIMJTK-UHFFFAOYSA-N -1 0 339.420 3.956 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccc(OCc2cccc(C(=O)[O-])n2)cc1 ZINC001590303167 989729075 /nfs/dbraw/zinc/72/90/75/989729075.db2.gz HFMDBAMPYZXLSM-UHFFFAOYSA-N -1 0 344.367 3.706 20 0 EHADRM CC(C)(C)OC(=O)c1ccc(CNc2cccc(C(=O)[O-])c2)cc1 ZINC001590364890 989833998 /nfs/dbraw/zinc/83/39/98/989833998.db2.gz VVZZXCVIRSMXJC-UHFFFAOYSA-N -1 0 327.380 3.952 20 0 EHADRM CC(C)(C)OC1CC(CC(=O)Oc2ccc(Cl)cc2C(=O)[O-])C1 ZINC001590373986 989864401 /nfs/dbraw/zinc/86/44/01/989864401.db2.gz AKCSATSMEJKEDL-UHFFFAOYSA-N -1 0 340.803 3.927 20 0 EHADRM CC(C)(C)O[C@@H]1C[C@@H](Nc2ccc3cnn(CC(=O)[O-])c3c2)C1(C)C ZINC001590379590 989890646 /nfs/dbraw/zinc/89/06/46/989890646.db2.gz VQVDOUVISYUFKR-HZPDHXFCSA-N -1 0 345.443 3.515 20 0 EHADRM CC(C)(C)O[C@H]1C[C@H](NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C1 ZINC001590408865 989943720 /nfs/dbraw/zinc/94/37/20/989943720.db2.gz ROAOISJRAXMPRN-SHTZXODSSA-N -1 0 348.443 3.516 20 0 EHADRM CC(C)(C)Oc1ccc(CNc2ncc(C(=O)[O-])cc2Cl)cn1 ZINC001590409249 989945725 /nfs/dbraw/zinc/94/57/25/989945725.db2.gz NXHMBXLNMXLNHY-UHFFFAOYSA-N -1 0 335.791 3.618 20 0 EHADRM CC(C)(C)[C@H](NC(=O)[C@H]1CC[C@H]1c1ccc(Cl)cc1F)C(=O)[O-] ZINC001590435560 989998624 /nfs/dbraw/zinc/99/86/24/989998624.db2.gz QGZJSXJFMOFFKU-VHRBIJSZSA-N -1 0 341.810 3.588 20 0 EHADRM CC(C)(C)c1cc(N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)ncn1 ZINC001590463597 990037941 /nfs/dbraw/zinc/03/79/41/990037941.db2.gz MKWVLFFLMVOKIJ-UHFFFAOYSA-N -1 0 349.381 3.534 20 0 EHADRM CC(C)(C)c1cc(CN2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)no1 ZINC001590464033 990039767 /nfs/dbraw/zinc/03/97/67/990039767.db2.gz UPSYEQYQGHUAOP-LLVKDONJSA-N -1 0 349.456 3.506 20 0 EHADRM CC(C)(C)c1ccc(/C=C/C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)cc1 ZINC001590480584 990067142 /nfs/dbraw/zinc/06/71/42/990067142.db2.gz XDCRTEMICJKWON-JXCWESCWSA-N -1 0 341.451 3.853 20 0 EHADRM CC(C)(C)c1ccc(CC(=O)Nc2cnc(C(=O)[O-])c(Cl)c2)cc1 ZINC001590484900 990079990 /nfs/dbraw/zinc/07/99/90/990079990.db2.gz IKHJGXDPQRPOAE-UHFFFAOYSA-N -1 0 346.814 3.912 20 0 EHADRM CC(C)(C)c1cccc(OCc2noc(CCC(=O)[O-])n2)c1Cl ZINC001590499093 990110967 /nfs/dbraw/zinc/11/09/67/990110967.db2.gz QGVDYBHATPIGTJ-UHFFFAOYSA-N -1 0 338.791 3.617 20 0 EHADRM CC(C)(C)c1cccc(C(=O)N(CCc2ccccc2)CC(=O)[O-])c1 ZINC001590499551 990113275 /nfs/dbraw/zinc/11/32/75/990113275.db2.gz YJOLLFIKNOQUJM-UHFFFAOYSA-N -1 0 339.435 3.754 20 0 EHADRM CC(C)(C)c1ccncc1CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001590515621 990129046 /nfs/dbraw/zinc/12/90/46/990129046.db2.gz VWFIQUTWLXLFPT-UHFFFAOYSA-N -1 0 345.374 3.538 20 0 EHADRM CC(C)(C)c1csc(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])n1 ZINC001590526833 990137955 /nfs/dbraw/zinc/13/79/55/990137955.db2.gz KGCWHDKPTNKRRI-GFCCVEGCSA-N -1 0 338.473 3.594 20 0 EHADRM CC(C)(C)c1coc(CN[C@H]2CCCc3ccc(C(=O)[O-])cc32)n1 ZINC001590526884 990138932 /nfs/dbraw/zinc/13/89/32/990138932.db2.gz MOSVVEVCNAXWPV-HNNXBMFYSA-N -1 0 328.412 3.838 20 0 EHADRM CC(C)(C)c1nc(NC(=O)[C@@H]2C[C@@H]2C2CCCC2)sc1C(=O)[O-] ZINC001590542527 990173868 /nfs/dbraw/zinc/17/38/68/990173868.db2.gz YWEPFRPIANPAHQ-GHMZBOCLSA-N -1 0 336.457 3.904 20 0 EHADRM CC(C)(C)c1ncc(/C=C/C(=O)Nc2ccc(C(=O)[O-])s2)s1 ZINC001590555941 990194005 /nfs/dbraw/zinc/19/40/05/990194005.db2.gz DNWLNMODCZXLQZ-GQCTYLIASA-N -1 0 336.438 3.852 20 0 EHADRM CN(C(=O)CCSCc1ccccc1C(=O)[O-])c1ccccc1 ZINC001598017987 990197021 /nfs/dbraw/zinc/19/70/21/990197021.db2.gz RZROLHMCOQUDPN-UHFFFAOYSA-N -1 0 329.421 3.671 20 0 EHADRM CC(C)(C)c1ncc(/C=C\C(=O)Oc2ccc(CC(=O)[O-])cc2)s1 ZINC001590556569 990197996 /nfs/dbraw/zinc/19/79/96/990197996.db2.gz VSUCLNNCPWABRY-HJWRWDBZSA-N -1 0 345.420 3.687 20 0 EHADRM CC(C)(C)n1cc(CNc2ccc(Cl)c(C(=O)[O-])c2Cl)nn1 ZINC001590593514 990246780 /nfs/dbraw/zinc/24/67/80/990246780.db2.gz INUVZNRYXZABFZ-UHFFFAOYSA-N -1 0 343.214 3.650 20 0 EHADRM CN(C(=O)Cc1ccccc1C(=O)[O-])[C@H]1CCC[C@@H]1c1ccccc1 ZINC001598036412 990262866 /nfs/dbraw/zinc/26/28/66/990262866.db2.gz HZRHMDWWYCBJIP-MJGOQNOKSA-N -1 0 337.419 3.722 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCC[C@@](C)(c2ccccc2)CC1 ZINC001590626291 990312808 /nfs/dbraw/zinc/31/28/08/990312808.db2.gz FFYPVNCYVODWTR-HXUWFJFHSA-N -1 0 331.456 3.848 20 0 EHADRM CN(C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)C1CC(C)(C)C1 ZINC001598057161 990323385 /nfs/dbraw/zinc/32/33/85/990323385.db2.gz QFGMQYAKQQEEIK-UHFFFAOYSA-N -1 0 342.342 3.639 20 0 EHADRM CN(C(=O)Nc1ccc(F)c(C(=O)[O-])c1F)[C@H]1CCC(C)(C)C1 ZINC001598059799 990326599 /nfs/dbraw/zinc/32/65/99/990326599.db2.gz BZGHCXNKSBHSKU-VIFPVBQESA-N -1 0 326.343 3.705 20 0 EHADRM CN(C(=O)Nc1cccc(C(=O)[O-])n1)[C@H]1CCC[C@H]1c1ccccc1 ZINC001598062167 990337300 /nfs/dbraw/zinc/33/73/00/990337300.db2.gz UENPKLBELFEMOU-HOCLYGCPSA-N -1 0 339.395 3.580 20 0 EHADRM CN(C(=O)OC(C)(C)C)c1ccc(N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC001598066468 990350859 /nfs/dbraw/zinc/35/08/59/990350859.db2.gz GHJMHUUVPOZMSW-GXTWGEPZSA-N -1 0 334.416 3.723 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)/C(F)=C\c1ccc(C(F)(F)F)cc1 ZINC001590657850 990357767 /nfs/dbraw/zinc/35/77/67/990357767.db2.gz JKZWRXGIQWLVLB-FMIVXFBMSA-N -1 0 347.308 3.775 20 0 EHADRM CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1ccccc1C(=O)[O-] ZINC001598067848 990361290 /nfs/dbraw/zinc/36/12/90/990361290.db2.gz BBIMLKTZIMSQFT-LSDHHAIUSA-N -1 0 329.783 3.805 20 0 EHADRM CC(C)(CCNC(=O)NCC1(CC(=O)[O-])CCCC1)c1ccccc1 ZINC001590680019 990393495 /nfs/dbraw/zinc/39/34/95/990393495.db2.gz RHVJKGHGBNSWTC-UHFFFAOYSA-N -1 0 346.471 3.689 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])nc1)c1ccc2c(c1)oc1ccccc12 ZINC001598083283 990409470 /nfs/dbraw/zinc/40/94/70/990409470.db2.gz UGFZHZBEWDTSML-UHFFFAOYSA-N -1 0 346.342 3.956 20 0 EHADRM CC(C)(CNC(=O)N1CCC(C)(C)[C@H](c2ccccc2)C1)CC(=O)[O-] ZINC001590716145 990474953 /nfs/dbraw/zinc/47/49/53/990474953.db2.gz OBVPWJHTYGMKOX-INIZCTEOSA-N -1 0 346.471 3.713 20 0 EHADRM CC(C)(CNC(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1)CC(=O)[O-] ZINC001590723755 990506045 /nfs/dbraw/zinc/50/60/45/990506045.db2.gz CYPTZCZFDQDZDI-SJORKVTESA-N -1 0 346.471 3.588 20 0 EHADRM CC(C)(CNC(=O)NCc1ccc(C(=O)[O-])cc1)C1CCCCC1 ZINC001590726516 990518287 /nfs/dbraw/zinc/51/82/87/990518287.db2.gz UQBQJMHJPBGJNX-UHFFFAOYSA-N -1 0 332.444 3.791 20 0 EHADRM CC(C)(COCc1ccccc1)C(=O)OCc1ccccc1C(=O)[O-] ZINC001590787162 990602803 /nfs/dbraw/zinc/60/28/03/990602803.db2.gz DNQSREPNVIJBSA-UHFFFAOYSA-N -1 0 342.391 3.671 20 0 EHADRM CC(C)(NCc1ccc(-c2ccc(F)cc2)o1)c1nocc1C(=O)[O-] ZINC001590870366 990771728 /nfs/dbraw/zinc/77/17/28/990771728.db2.gz CSBPPGAIPWJDGQ-UHFFFAOYSA-N -1 0 344.342 3.797 20 0 EHADRM CC(C)(NCc1cc(Cl)sc1Cl)c1cc(C(=O)[O-])on1 ZINC001590870402 990772469 /nfs/dbraw/zinc/77/24/69/990772469.db2.gz FXNZGPUBKPHMLF-UHFFFAOYSA-N -1 0 335.212 3.766 20 0 EHADRM CC(C)=C(C)CC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001590912258 990883585 /nfs/dbraw/zinc/88/35/85/990883585.db2.gz FMUMOUNZYGSUCM-UHFFFAOYSA-N -1 0 327.327 3.714 20 0 EHADRM CC(C)=C[C@H]1[C@@H](C(=O)N(CCC(=O)[O-])Cc2ccccc2)C1(C)C ZINC001590914549 990898575 /nfs/dbraw/zinc/89/85/75/990898575.db2.gz JEBMQIBFYYSAPF-WMZOPIPTSA-N -1 0 329.440 3.728 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(O[C@H](C)C(=O)[O-])c(F)c2)C1(C)C ZINC001590915107 990901718 /nfs/dbraw/zinc/90/17/18/990901718.db2.gz PKSMPWWLWSBLME-AXAPSJFSSA-N -1 0 349.402 3.855 20 0 EHADRM COc1cccc([C@@H]2C[C@H]2CNc2nc(Cl)c(C(=O)[O-])s2)c1 ZINC001599684815 990970040 /nfs/dbraw/zinc/97/00/40/990970040.db2.gz MQZMJEHTFUGCIR-ONGXEEELSA-N -1 0 338.816 3.719 20 0 EHADRM COc1cccc2c(C(=O)Nc3c(C)csc3C(=O)[O-])coc21 ZINC001599689980 991052275 /nfs/dbraw/zinc/05/22/75/991052275.db2.gz XXRMXHCNHOZHGI-UHFFFAOYSA-N -1 0 331.349 3.762 20 0 EHADRM CC(C)[C@H](C)C(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001590969480 991095601 /nfs/dbraw/zinc/09/56/01/991095601.db2.gz AZTPSZRFZBYAPZ-ZETCQYMHSA-N -1 0 332.169 3.517 20 0 EHADRM CC(C)[C@@H](C)N(CC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001590974308 991107552 /nfs/dbraw/zinc/10/75/52/991107552.db2.gz FWIBTVAUVLSYGB-OAHLLOKOSA-N -1 0 340.423 3.874 20 0 EHADRM CC(C)[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1C(=O)[O-] ZINC001590980777 991134185 /nfs/dbraw/zinc/13/41/85/991134185.db2.gz JZBCGETVWLIKKB-GOSISDBHSA-N -1 0 339.435 3.906 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC001599696569 991157240 /nfs/dbraw/zinc/15/72/40/991157240.db2.gz CJXRZPYVDZTWGS-INIZCTEOSA-N -1 0 347.455 3.513 20 0 EHADRM COc1ccccc1C(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1 ZINC001599696554 991157433 /nfs/dbraw/zinc/15/74/33/991157433.db2.gz BEEQRAKYMLMFKU-UHFFFAOYSA-N -1 0 346.408 3.760 20 0 EHADRM CN(C)c1c(Cl)cccc1NC(=O)c1ccccc1CCC(=O)[O-] ZINC001598287690 991190212 /nfs/dbraw/zinc/19/02/12/991190212.db2.gz JGKYWQZXHLLDOT-UHFFFAOYSA-N -1 0 346.814 3.676 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001590993705 991214666 /nfs/dbraw/zinc/21/46/66/991214666.db2.gz PLRHSJYUDHIXJS-CQSZACIVSA-N -1 0 346.814 3.887 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)C(=O)Nc1cnc(C(=O)[O-])c(Cl)c1 ZINC001590994193 991218226 /nfs/dbraw/zinc/21/82/26/991218226.db2.gz WOBHNYQVDVQGOH-CQSZACIVSA-N -1 0 346.814 3.887 20 0 EHADRM CC(C)[C@@H](NC(=O)c1c[nH]c(C(=O)[O-])c1)c1ccc(Cl)cc1F ZINC001591018655 991298390 /nfs/dbraw/zinc/29/83/90/991298390.db2.gz GLWXGPDKSGVLSE-CQSZACIVSA-N -1 0 338.766 3.633 20 0 EHADRM CC(C)[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1F)c1ccccc1F ZINC001591018686 991298452 /nfs/dbraw/zinc/29/84/52/991298452.db2.gz IIDBGIUCDFAXAR-MRXNPFEDSA-N -1 0 333.334 3.790 20 0 EHADRM CC(C)[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(C(=O)[O-])cc2F)C1 ZINC001591082760 991600860 /nfs/dbraw/zinc/60/08/60/991600860.db2.gz XNDRCZTWZBGIAC-IUODEOHRSA-N -1 0 336.407 3.538 20 0 EHADRM CC(C)[C@H]1CCC[C@H](NC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)C1 ZINC001591082849 991602211 /nfs/dbraw/zinc/60/22/11/991602211.db2.gz ZDLYLPBOFDKDLQ-YJBOKZPZSA-N -1 0 344.455 3.667 20 0 EHADRM COc1cncc(/C=C\CCNc2cccc([C@@H](C)C(=O)[O-])c2)c1 ZINC001599726750 991640448 /nfs/dbraw/zinc/64/04/48/991640448.db2.gz SRECUVYDURCNLQ-JHAQOBCDSA-N -1 0 326.396 3.794 20 0 EHADRM CC(C)[C@H]1OCCC[C@H]1CNc1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001591105585 991734045 /nfs/dbraw/zinc/73/40/45/991734045.db2.gz VFJDIWGAUBAPLK-IINYFYTJSA-N -1 0 346.349 3.662 20 0 EHADRM CN(CC(F)(F)C(F)(F)F)[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001598429663 991786769 /nfs/dbraw/zinc/78/67/69/991786769.db2.gz KAELZHMQUIZVRF-VIFPVBQESA-N -1 0 331.668 3.595 20 0 EHADRM CC(C)C[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001591130486 991822558 /nfs/dbraw/zinc/82/25/58/991822558.db2.gz IPHBVLCCFLOPDG-MFKMUULPSA-N -1 0 331.334 3.630 20 0 EHADRM CC(C)C[C@H](C)OC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001591138983 991862188 /nfs/dbraw/zinc/86/21/88/991862188.db2.gz WVUYYBJNDPISTF-LBPRGKRZSA-N -1 0 333.384 3.834 20 0 EHADRM CN(C[C@H]1CC1(C)C)C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001598447865 991892866 /nfs/dbraw/zinc/89/28/66/991892866.db2.gz JQGUDBZZRSPMNF-GFCCVEGCSA-N -1 0 336.457 3.763 20 0 EHADRM C[S@@](=O)(=NC(=O)c1cc(C(=O)[O-])ccc1Cl)C1CCCCC1 ZINC001599744223 991906417 /nfs/dbraw/zinc/90/64/17/991906417.db2.gz YUPOFUWTHGPFRW-QFIPXVFZSA-N -1 0 343.832 3.609 20 0 EHADRM CC(C)C[C@H](CNc1ncnc2sc3c(c21)CC[C@@H](C)C3)C(=O)[O-] ZINC001591162933 991927693 /nfs/dbraw/zinc/92/76/93/991927693.db2.gz PXXFEJSRPBWTGF-VXGBXAGGSA-N -1 0 347.484 3.975 20 0 EHADRM CC(C)C[C@@H](OC(=O)c1ccc(C(=O)[O-])cc1F)c1ccccn1 ZINC001591190891 991997515 /nfs/dbraw/zinc/99/75/15/991997515.db2.gz CNIBAOMEHJLBFD-MRXNPFEDSA-N -1 0 331.343 3.863 20 0 EHADRM CN(CCCCc1ccccc1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001598476304 992083158 /nfs/dbraw/zinc/08/31/58/992083158.db2.gz ONJVDLLVWXPPKY-UHFFFAOYSA-N -1 0 326.396 3.871 20 0 EHADRM CC(C)CCCCCC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC001591236354 992116697 /nfs/dbraw/zinc/11/66/97/992116697.db2.gz DUDSQHUBUWFTCD-MRXNPFEDSA-N -1 0 327.371 3.813 20 0 EHADRM CC(C)CCCCCC(=O)N1C[C@H](C(=O)[O-])Oc2cc(F)ccc21 ZINC001591236704 992118765 /nfs/dbraw/zinc/11/87/65/992118765.db2.gz MJBPSDNWASHWEA-MRXNPFEDSA-N -1 0 337.391 3.611 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)cc1 ZINC001591261110 992172065 /nfs/dbraw/zinc/17/20/65/992172065.db2.gz VYQOTPFTSGZNFU-ZBFHGGJFSA-N -1 0 348.443 3.876 20 0 EHADRM CC(C)CN(C(=O)CSc1ccc2c(c1)CCC2)C(C)(C)C(=O)[O-] ZINC001591280003 992204962 /nfs/dbraw/zinc/20/49/62/992204962.db2.gz AAYSOAKEJDESPK-UHFFFAOYSA-N -1 0 349.496 3.615 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CCc1ccc([C@@H]2C[C@H]2C)o1 ZINC001591308827 992261909 /nfs/dbraw/zinc/26/19/09/992261909.db2.gz ASRWSFXZJVASFW-GDBMZVCRSA-N -1 0 349.471 3.931 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001591309365 992265920 /nfs/dbraw/zinc/26/59/20/992265920.db2.gz TUJSDOWVWDPWIB-OXJNMPFZSA-N -1 0 331.456 3.560 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1cc(F)c2ncccc2c1 ZINC001591312953 992274136 /nfs/dbraw/zinc/27/41/36/992274136.db2.gz FGNHFFOOAMUSIA-UHFFFAOYSA-N -1 0 346.402 3.583 20 0 EHADRM Cn1c2ccccc2nc1-c1cccc(NC(=O)c2cncc(O)c2)c1 ZINC000339815056 1015698683 /nfs/dbraw/zinc/69/86/83/1015698683.db2.gz PQOUAPNYYJJLFN-UHFFFAOYSA-N -1 0 344.374 3.593 20 0 EHADRM CC(C)CN(Cc1ccccc1O[C@H](C)C(=O)[O-])CC(F)(F)F ZINC001591344278 992329596 /nfs/dbraw/zinc/32/95/96/992329596.db2.gz UGZVWKGNAFWCRT-GFCCVEGCSA-N -1 0 333.350 3.559 20 0 EHADRM CC(C)c1ccccc1OCC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000326922781 1015704977 /nfs/dbraw/zinc/70/49/77/1015704977.db2.gz QNLCXIUUPKSJGP-HNNXBMFYSA-N -1 0 347.455 3.538 20 0 EHADRM CS[C@H](C(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1)c1ccccc1 ZINC001599781225 992366291 /nfs/dbraw/zinc/36/62/91/992366291.db2.gz NQRVRILHVQMFTH-WMZOPIPTSA-N -1 0 343.448 3.731 20 0 EHADRM CS[C@@H](C(=O)N1CCCc2c(C(=O)[O-])cccc21)c1ccccc1 ZINC001599781427 992369290 /nfs/dbraw/zinc/36/92/90/992369290.db2.gz QTGPDVSQNODOMI-QGZVFWFLSA-N -1 0 341.432 3.768 20 0 EHADRM CS[C@@H](C)CCC(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1 ZINC001599782574 992384302 /nfs/dbraw/zinc/38/43/02/992384302.db2.gz FUWRYYWXCCJYCV-ZFWWWQNUSA-N -1 0 329.506 3.838 20 0 EHADRM CC(C)COC[C@H](NCc1ccc(C(=O)[O-])c(F)c1)c1ccco1 ZINC001591390452 992443846 /nfs/dbraw/zinc/44/38/46/992443846.db2.gz FGKUAJZEGQFVED-INIZCTEOSA-N -1 0 335.375 3.620 20 0 EHADRM CC(C)COc1ccc(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])cc1 ZINC001591396721 992461236 /nfs/dbraw/zinc/46/12/36/992461236.db2.gz NATXEKBPYSGKNY-UHFFFAOYSA-N -1 0 349.471 3.930 20 0 EHADRM CC(C)COc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC001591396813 992462253 /nfs/dbraw/zinc/46/22/53/992462253.db2.gz SKADDINVSBMNSC-QGZVFWFLSA-N -1 0 328.364 3.704 20 0 EHADRM CC(C)COc1cccc(NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC001591402171 992482042 /nfs/dbraw/zinc/48/20/42/992482042.db2.gz UJFONBZCTLYWTI-HNNXBMFYSA-N -1 0 348.443 3.830 20 0 EHADRM CC(C)COc1ncccc1C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001591414699 992492009 /nfs/dbraw/zinc/49/20/09/992492009.db2.gz SMHQOOINOFEPQA-UHFFFAOYSA-N -1 0 349.770 3.687 20 0 EHADRM CC(C)CSCCNC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001591416162 992496658 /nfs/dbraw/zinc/49/66/58/992496658.db2.gz REHFPSRLCFJXFD-UHFFFAOYSA-N -1 0 348.827 3.688 20 0 EHADRM CN(Cc1cc(Cl)cc(Cl)c1)Cc1cccc(C(=O)[O-])n1 ZINC001598507898 992530066 /nfs/dbraw/zinc/53/00/66/992530066.db2.gz VRQQIVYZSYXGRZ-UHFFFAOYSA-N -1 0 325.195 3.719 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])c(F)c1)Cc1cc(Cl)ccc1F ZINC001598509451 992551142 /nfs/dbraw/zinc/55/11/42/992551142.db2.gz BBSCTJIGOCGNSR-UHFFFAOYSA-N -1 0 325.742 3.948 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CC(C1CCC1)C1CCC1 ZINC001598509903 992556696 /nfs/dbraw/zinc/55/66/96/992556696.db2.gz KCYRKHGDNIPZOA-UHFFFAOYSA-N -1 0 329.440 3.950 20 0 EHADRM CC(C)C[C@H](NC(=O)c1ccc2c(c1)oc1ccccc12)C(=O)[O-] ZINC001591468753 992582757 /nfs/dbraw/zinc/58/27/57/992582757.db2.gz YJGFUHHXLBBTLN-HNNXBMFYSA-N -1 0 325.364 3.815 20 0 EHADRM CN(Cc1ccc(Cl)s1)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001598517196 992630943 /nfs/dbraw/zinc/63/09/43/992630943.db2.gz AKYJXKYGLLRLGT-UHFFFAOYSA-N -1 0 344.864 3.578 20 0 EHADRM CC(C)Cc1nc(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)cs1 ZINC001591497036 992631839 /nfs/dbraw/zinc/63/18/39/992631839.db2.gz SMNFCQQXVZIMIQ-NSHDSACASA-N -1 0 333.409 3.958 20 0 EHADRM CC(C)Cn1ccc2c1cccc2C(=O)N(C[C@@H](C)C(=O)[O-])C1CC1 ZINC001591521741 992693078 /nfs/dbraw/zinc/69/30/78/992693078.db2.gz RUSSRMFJHBYYCV-CQSZACIVSA-N -1 0 342.439 3.623 20 0 EHADRM CC(C)Cn1ncc(N[C@@H](C)c2cncc(C(=O)[O-])c2)c1C1CC1 ZINC001591533234 992709494 /nfs/dbraw/zinc/70/94/94/992709494.db2.gz DRAQIBWDHIVRMR-LBPRGKRZSA-N -1 0 328.416 3.683 20 0 EHADRM CC(C)N(C(=O)CSCc1ccc(C(=O)[O-])cc1)C1CCCC1 ZINC001591543921 992729885 /nfs/dbraw/zinc/72/98/85/992729885.db2.gz WTTAJIZACMWTQA-UHFFFAOYSA-N -1 0 335.469 3.798 20 0 EHADRM CC(C)N(C)c1ccc(NC(=O)c2ccc(C(=O)[O-])cc2F)cc1F ZINC001591560713 992758468 /nfs/dbraw/zinc/75/84/68/992758468.db2.gz FSPVBEDVLNWVSP-UHFFFAOYSA-N -1 0 348.349 3.760 20 0 EHADRM CN(Cc1ccccc1F)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001598529912 992766557 /nfs/dbraw/zinc/76/65/57/992766557.db2.gz DCXJAFNSTZBGOZ-JKSUJKDBSA-N -1 0 342.370 3.678 20 0 EHADRM CC(C)N(Cc1ccccc1)C(=O)c1ccccc1CCC(=O)[O-] ZINC001591603745 992837005 /nfs/dbraw/zinc/83/70/05/992837005.db2.gz PYEYBKCMKOBRNK-UHFFFAOYSA-N -1 0 325.408 3.755 20 0 EHADRM CC(C)N(c1ccc(Cl)cc1)S(=O)(=O)CCCCCC(=O)[O-] ZINC001591604171 992841172 /nfs/dbraw/zinc/84/11/72/992841172.db2.gz LEIIVQUYJAVGCM-UHFFFAOYSA-N -1 0 347.864 3.530 20 0 EHADRM O=C(Nc1ccc2ccccc2n1)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000339841566 1015742260 /nfs/dbraw/zinc/74/22/60/1015742260.db2.gz AUXCVTOWZSMUFZ-UHFFFAOYSA-N -1 0 348.337 3.518 20 0 EHADRM C[C@H](NC(=O)N[C@H]1CC=C(C(=O)[O-])C1)c1ccc(F)c2ccccc21 ZINC001593083601 993682809 /nfs/dbraw/zinc/68/28/09/993682809.db2.gz OUULZIKVXQBPQK-AAEUAGOBSA-N -1 0 342.370 3.513 20 0 EHADRM COc1ccc(NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)c(C(=O)[O-])c1 ZINC001599593467 993718758 /nfs/dbraw/zinc/71/87/58/993718758.db2.gz VHEKXFAVIMXCBN-SJORKVTESA-N -1 0 339.391 3.772 20 0 EHADRM COc1ccc(NC(=O)c2cc(C3CC3)oc2C2CC2)c(C(=O)[O-])c1 ZINC001599594076 993726271 /nfs/dbraw/zinc/72/62/71/993726271.db2.gz RNXLWSPAIJQINW-UHFFFAOYSA-N -1 0 341.363 3.994 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(Cl)cc1F)c1ncc(C(=O)[O-])s1 ZINC001593116195 993806866 /nfs/dbraw/zinc/80/68/66/993806866.db2.gz YKWNZIZMYAQNCO-ZCFIWIBFSA-N -1 0 343.767 3.517 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc(Cl)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001593118177 993825056 /nfs/dbraw/zinc/82/50/56/993825056.db2.gz FMIYYCQLQTXHHV-LLVKDONJSA-N -1 0 348.786 3.686 20 0 EHADRM COc1ccc(OCCS[C@@H](C(=O)[O-])c2cccc(OC)c2)cc1 ZINC001599606838 993897204 /nfs/dbraw/zinc/89/72/04/993897204.db2.gz NLLYDGCMVLHPTB-QGZVFWFLSA-N -1 0 348.420 3.642 20 0 EHADRM C[C@@](NC(=O)c1ccc(C2CCC2)cc1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593159784 993987151 /nfs/dbraw/zinc/98/71/51/993987151.db2.gz MVQZUFYSNJMBKT-FQEVSTJZSA-N -1 0 341.382 3.823 20 0 EHADRM O=C(Nc1cccc2ncccc21)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000339889009 1015826159 /nfs/dbraw/zinc/82/61/59/1015826159.db2.gz OXUNMKIZKBZMTA-UHFFFAOYSA-N -1 0 348.337 3.518 20 0 EHADRM COc1ccc2c(c1)[C@H](c1nc(-c3cccc(C(=O)[O-])c3)no1)CC2 ZINC001599624706 994132130 /nfs/dbraw/zinc/13/21/30/994132130.db2.gz JNLISPZFBDBEGR-OAHLLOKOSA-N -1 0 336.347 3.522 20 0 EHADRM C[C@@H](N[C@@H](C(=O)[O-])c1ccccc1Cl)c1cc2cnccc2o1 ZINC001593195620 994149583 /nfs/dbraw/zinc/14/95/83/994149583.db2.gz RZFYZSAEDOLMSI-QLJPJBMISA-N -1 0 330.771 3.958 20 0 EHADRM C[C@H](N[C@@H](C)c1ccccc1OC(F)F)c1cc(C(=O)[O-])co1 ZINC001593197395 994162804 /nfs/dbraw/zinc/16/28/04/994162804.db2.gz JUHHFAVEZGCZFO-UWVGGRQHSA-N -1 0 325.311 3.991 20 0 EHADRM C[C@@H](N[C@H](C)c1c(F)cccc1F)c1ccccc1OCC(=O)[O-] ZINC001593198194 994168886 /nfs/dbraw/zinc/16/88/86/994168886.db2.gz ODQNSYWZCUQLAN-VXGBXAGGSA-N -1 0 335.350 3.840 20 0 EHADRM C[C@@H](N[C@H](C)c1ccc(Br)cn1)c1cc(C(=O)[O-])co1 ZINC001593198528 994173477 /nfs/dbraw/zinc/17/34/77/994173477.db2.gz SDXFPURHZFAVES-RKDXNWHRSA-N -1 0 339.189 3.547 20 0 EHADRM C[C@@H](N[C@@H](C)c1cnc2ccsc2c1)c1ncc(C(=O)[O-])s1 ZINC001593203019 994184502 /nfs/dbraw/zinc/18/45/02/994184502.db2.gz BYUUZWPDTQXDFK-DTWKUNHWSA-N -1 0 333.438 3.863 20 0 EHADRM C[C@@H](N[C@@H](C)c1cncc(C(=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC001593204918 994209375 /nfs/dbraw/zinc/20/93/75/994209375.db2.gz XLEGPLTVNRIYKZ-WDEREUQCSA-N -1 0 333.457 3.946 20 0 EHADRM C[C@@H](N[C@H](C)c1ccc(OCC(=O)[O-])cc1)c1nc2ccccc2o1 ZINC001593205348 994212568 /nfs/dbraw/zinc/21/25/68/994212568.db2.gz ZZMKTFVXFISHDL-CHWSQXEVSA-N -1 0 340.379 3.703 20 0 EHADRM C[C@H](N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cc(C(=O)[O-])co1 ZINC001593208587 994228413 /nfs/dbraw/zinc/22/84/13/994228413.db2.gz IVHISWZNUKTMBB-UXEPBGEESA-N -1 0 333.359 3.688 20 0 EHADRM COc1ccc2cc(/C=C/C(=O)Nc3ccc(C(=O)[O-])cn3)ccc2c1 ZINC001599635539 994282070 /nfs/dbraw/zinc/28/20/70/994282070.db2.gz RICLRCWJRNVXRE-YCRREMRBSA-N -1 0 348.358 3.594 20 0 EHADRM C[C@H](N[C@H]1CCCc2ccc(C(=O)[O-])cc21)c1c(F)cncc1F ZINC001593219673 994303484 /nfs/dbraw/zinc/30/34/84/994303484.db2.gz PCNCWMPEVFRWBN-QFYYESIMSA-N -1 0 332.350 3.786 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)c1cccc(C(C)(C)C)c1 ZINC001599643820 994395196 /nfs/dbraw/zinc/39/51/96/994395196.db2.gz PFALOWBDWGLRMG-UHFFFAOYSA-N -1 0 341.407 3.968 20 0 EHADRM N#CC(=C([O-])C1=COCC1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000076833715 1015857828 /nfs/dbraw/zinc/85/78/28/1015857828.db2.gz SQNWSAUCUZMQGM-CYBMUJFWSA-N -1 0 330.796 3.944 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC001599645205 994415358 /nfs/dbraw/zinc/41/53/58/994415358.db2.gz QKQXGOXEZQWIPV-AWEZNQCLSA-N -1 0 341.407 3.543 20 0 EHADRM COc1cccc(C(C)(C)c2nc(-c3ccc(C(=O)[O-])cc3)no2)c1 ZINC001599649763 994479257 /nfs/dbraw/zinc/47/92/57/994479257.db2.gz NYLWHMPLXNTRQW-UHFFFAOYSA-N -1 0 338.363 3.769 20 0 EHADRM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)C2CCCCCCC2)c1 ZINC001599650719 994494006 /nfs/dbraw/zinc/49/40/06/994494006.db2.gz YOGYQVAQRMLPLM-HXUWFJFHSA-N -1 0 347.455 3.862 20 0 EHADRM COc1cccc([C@H](C)C(=O)Oc2ccc(C(=O)[O-])cc2Cl)c1 ZINC001599654151 994551218 /nfs/dbraw/zinc/55/12/18/994551218.db2.gz HXLPWUUSARYLFI-JTQLQIEISA-N -1 0 334.755 3.756 20 0 EHADRM COc1cccc([C@H](C)C(=O)OCc2cc(C(=O)[O-])ccc2Cl)c1 ZINC001599654566 994557360 /nfs/dbraw/zinc/55/73/60/994557360.db2.gz RNPVFGYOIWCFRM-NSHDSACASA-N -1 0 348.782 3.894 20 0 EHADRM COc1cccc([C@H](C)CC(=O)OCc2cc(C(=O)[O-])ccc2F)c1 ZINC001599655757 994576456 /nfs/dbraw/zinc/57/64/56/994576456.db2.gz ZJIOZJHFSHCDGL-GFCCVEGCSA-N -1 0 346.354 3.770 20 0 EHADRM COc1cccc([C@@H](C)OC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC001599659046 994627389 /nfs/dbraw/zinc/62/73/89/994627389.db2.gz XWVLGJQMTOVHJX-XYJCDUHRSA-N -1 0 332.396 3.725 20 0 EHADRM C[C@@H](NCc1cc(Cl)cc(Cl)c1)c1ncc(C(=O)[O-])s1 ZINC001593292423 994676932 /nfs/dbraw/zinc/67/69/32/994676932.db2.gz LKDILFHFRYHICR-SSDOTTSWSA-N -1 0 331.224 3.999 20 0 EHADRM C[C@@H](NCc1ccnc(-c2ccccc2)c1)c1ncc(C(=O)[O-])s1 ZINC001593304003 994741097 /nfs/dbraw/zinc/74/10/97/994741097.db2.gz JVQCISYWNCETHY-GFCCVEGCSA-N -1 0 339.420 3.754 20 0 EHADRM C[C@@H](NCc1occc1C(=O)[O-])c1nc2ccccc2n1C(F)F ZINC001593318216 994829734 /nfs/dbraw/zinc/82/97/34/994829734.db2.gz CMPNETIBZMPSEX-SECBINFHSA-N -1 0 335.310 3.573 20 0 EHADRM CNc1ccc(Cl)c(C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001598679397 994901451 /nfs/dbraw/zinc/90/14/51/994901451.db2.gz GJJITQGCICKIJY-AWEZNQCLSA-N -1 0 337.734 3.504 20 0 EHADRM CO/C(=C\c1ccccc1)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001598684413 994985155 /nfs/dbraw/zinc/98/51/55/994985155.db2.gz KPEYWWXEXYSXCH-DHDCSXOGSA-N -1 0 331.755 3.664 20 0 EHADRM C[C@H](Nc1cccc([C@@H]2CCC(=O)N2)c1)c1cc(C(=O)[O-])cs1 ZINC001593366093 995047836 /nfs/dbraw/zinc/04/78/36/995047836.db2.gz RCAHDAPMVKCBNA-HZMBPMFUSA-N -1 0 330.409 3.571 20 0 EHADRM COC(=O)[C@H](C)Cc1ccc(Nc2ncc(C(=O)[O-])cc2Cl)cc1 ZINC001598690311 995055149 /nfs/dbraw/zinc/05/51/49/995055149.db2.gz FPKJDOSHWVCUCD-SNVBAGLBSA-N -1 0 348.786 3.528 20 0 EHADRM C[C@@H](Nc1ncnc2c(F)cccc12)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593373937 995070390 /nfs/dbraw/zinc/07/03/90/995070390.db2.gz LITKXOGCNOFKNA-IUODEOHRSA-N -1 0 339.370 3.513 20 0 EHADRM COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)N1CCC[C@H](C2CCC2)CC1 ZINC001598713272 995372884 /nfs/dbraw/zinc/37/28/84/995372884.db2.gz OWWSZGHICWFMQV-MAUKXSAKSA-N -1 0 345.439 3.501 20 0 EHADRM COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N1CCC[C@@H](C2CCC2)CC1 ZINC001598713274 995372956 /nfs/dbraw/zinc/37/29/56/995372956.db2.gz OWWSZGHICWFMQV-QAPCUYQASA-N -1 0 345.439 3.501 20 0 EHADRM COC(=O)[C@@H](Sc1cc(F)ccc1F)c1cccc(C(=O)[O-])c1 ZINC001598714007 995382826 /nfs/dbraw/zinc/38/28/26/995382826.db2.gz ZLSUUQGKBWSSFY-AWEZNQCLSA-N -1 0 338.331 3.669 20 0 EHADRM C[C@H](OC(=O)C12CC(C(=O)[O-])(C1)C2)c1nc(-c2ccccc2)cs1 ZINC001593497089 995481876 /nfs/dbraw/zinc/48/18/76/995481876.db2.gz VUDGFJRKUVRTMA-NVWNAPEYSA-N -1 0 343.404 3.669 20 0 EHADRM C[C@@H](OC(=O)CCCOc1ccccc1F)c1cc(C(=O)[O-])co1 ZINC001593524466 995561496 /nfs/dbraw/zinc/56/14/96/995561496.db2.gz FCQCYIHWYFKCBI-LLVKDONJSA-N -1 0 336.315 3.580 20 0 EHADRM C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)c1cc(C(=O)[O-])co1 ZINC001593526372 995567919 /nfs/dbraw/zinc/56/79/19/995567919.db2.gz VMYVKOVYLBKHQD-LLVKDONJSA-N -1 0 327.336 3.696 20 0 EHADRM C[C@@H](OC(=O)CCc1ncc(C(C)(C)C)o1)c1cc(C(=O)[O-])co1 ZINC001593527088 995569537 /nfs/dbraw/zinc/56/95/37/995569537.db2.gz ARVCDXRDTUAVSQ-SNVBAGLBSA-N -1 0 335.356 3.500 20 0 EHADRM C[C@@H](OC(=O)Cc1coc2cc(F)ccc12)c1cc(C(=O)[O-])co1 ZINC001593537473 995604165 /nfs/dbraw/zinc/60/41/65/995604165.db2.gz RWIVHCWIDJIMHD-SECBINFHSA-N -1 0 332.283 3.710 20 0 EHADRM C[C@@H](OC(=O)Cc1csc(C2CCCC2)n1)c1cc(C(=O)[O-])co1 ZINC001593537840 995606237 /nfs/dbraw/zinc/60/62/37/995606237.db2.gz XQGYNQGJULAKPQ-SNVBAGLBSA-N -1 0 349.408 3.939 20 0 EHADRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])[nH]1)[C@@H](C)c1nc2ccccc2s1 ZINC001593572767 995668920 /nfs/dbraw/zinc/66/89/20/995668920.db2.gz HPVAVDBYFRIKLU-NXEZZACHSA-N -1 0 344.392 3.672 20 0 EHADRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])cc1F)c1nc(C2CC2)cs1 ZINC001593574778 995680200 /nfs/dbraw/zinc/68/02/00/995680200.db2.gz MHALWMPPBHYGNY-MRVPVSSYSA-N -1 0 335.356 3.776 20 0 EHADRM C[C@H](OC(=O)c1ccc2c(c1)OC(C)(C)C2)c1cc(C(=O)[O-])co1 ZINC001593584530 995698102 /nfs/dbraw/zinc/69/81/02/995698102.db2.gz BJCRAWLKLUUAQU-JTQLQIEISA-N -1 0 330.336 3.609 20 0 EHADRM C[C@@H](OC(=O)c1cnc(Cl)c(Cl)c1)c1cc(C(=O)[O-])co1 ZINC001593596937 995735771 /nfs/dbraw/zinc/73/57/71/995735771.db2.gz MTKNUWRCKYGVJA-ZCFIWIBFSA-N -1 0 330.123 3.598 20 0 EHADRM CC(C)c1sc(NC(=O)[C@H](C)OC2CCCCC2)nc1C(=O)[O-] ZINC001593603700 995772853 /nfs/dbraw/zinc/77/28/53/995772853.db2.gz ZSHQCBMRRBKONE-JTQLQIEISA-N -1 0 340.445 3.641 20 0 EHADRM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](CC(C)(C)C)C(=O)[O-] ZINC001593612176 995813862 /nfs/dbraw/zinc/81/38/62/995813862.db2.gz LWJCAUWABODVHH-XJKSGUPXSA-N -1 0 349.471 3.757 20 0 EHADRM C[C@@H](Oc1ccc(CN2Cc3cccc(Cl)c3C2)cc1)C(=O)[O-] ZINC001593615811 995838945 /nfs/dbraw/zinc/83/89/45/995838945.db2.gz QWYMJNCHSZUFRB-GFCCVEGCSA-N -1 0 331.799 3.708 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)c1 ZINC001593636261 995936921 /nfs/dbraw/zinc/93/69/21/995936921.db2.gz MCRKVQHDVQJEAE-BBRMVZONSA-N -1 0 335.444 3.583 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)C(=O)O[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC001593636518 995937451 /nfs/dbraw/zinc/93/74/51/995937451.db2.gz QDAWVHGTBNGGBQ-KBXCAEBGSA-N -1 0 342.391 3.946 20 0 EHADRM C[C@H](Oc1ccccc1)C(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1 ZINC001593641151 995949022 /nfs/dbraw/zinc/94/90/22/995949022.db2.gz WOOOWQNJBTWLFB-DOTOQJQBSA-N -1 0 347.455 3.774 20 0 EHADRM C[C@H](Oc1ccccc1CNc1ccc(-c2cnco2)cc1)C(=O)[O-] ZINC001593647915 995994502 /nfs/dbraw/zinc/99/45/02/995994502.db2.gz DMEMXHZIKCSLME-ZDUSSCGKSA-N -1 0 338.363 3.806 20 0 EHADRM C[C@H](Oc1ccccc1F)c1nnc([C@@H]2CCC[C@H](C(=O)[O-])C2)o1 ZINC001593651487 996012200 /nfs/dbraw/zinc/01/22/00/996012200.db2.gz NIKVLHUZAWRQET-TUAOUCFPSA-N -1 0 334.347 3.707 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC001593662648 996042630 /nfs/dbraw/zinc/04/26/30/996042630.db2.gz CBMUPLYAFMKLSS-ZDUSSCGKSA-N -1 0 330.405 3.541 20 0 EHADRM C[C@@H](SCc1ncccc1Br)c1nc(C(=O)[O-])co1 ZINC001593664084 996048824 /nfs/dbraw/zinc/04/88/24/996048824.db2.gz GAUDOUZTAWYICK-SSDOTTSWSA-N -1 0 343.202 3.525 20 0 EHADRM C[C@H](Sc1ncc(C(=O)[O-])cn1)c1ccc(OC(F)(F)F)cc1 ZINC001593679168 996098213 /nfs/dbraw/zinc/09/82/13/996098213.db2.gz GEEBUIXUOQEXSV-QMMMGPOBSA-N -1 0 344.314 3.927 20 0 EHADRM C[C@H](Sc1nc(-c2ccccc2)cc(=O)[nH]1)c1ccc(C(=O)[O-])o1 ZINC001593679205 996098786 /nfs/dbraw/zinc/09/87/86/996098786.db2.gz GWQDXNMSYZQBHJ-JTQLQIEISA-N -1 0 342.376 3.994 20 0 EHADRM C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001593693524 996145256 /nfs/dbraw/zinc/14/52/56/996145256.db2.gz NGWCFRGXNCYJBT-JTQLQIEISA-N -1 0 345.349 3.732 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001593693991 996147597 /nfs/dbraw/zinc/14/75/97/996147597.db2.gz QICYJQZGHLLVGG-NZBPQXDJSA-N -1 0 337.847 3.791 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1ccc(C(=O)[O-])n1C ZINC001593694491 996150581 /nfs/dbraw/zinc/15/05/81/996150581.db2.gz WOGBNFBCFJCVRE-NWDGAFQWSA-N -1 0 348.830 3.641 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000683302561 1016015917 /nfs/dbraw/zinc/01/59/17/1016015917.db2.gz DSKUMLCQSIEWAC-IRXDYDNUSA-N -1 0 331.456 3.795 20 0 EHADRM O=C([O-])c1ccc2nc(/C=C/c3ccccc3-n3cncn3)sc2c1 ZINC000683303410 1016016696 /nfs/dbraw/zinc/01/66/96/1016016696.db2.gz WVCSLDCHLASKLS-SOFGYWHQSA-N -1 0 348.387 3.746 20 0 EHADRM COc1cccc(C2(NCc3cccc(O)c3Br)CC2)c1 ZINC000459448452 1032135349 /nfs/dbraw/zinc/13/53/49/1032135349.db2.gz VVXYHBAXRMABSX-UHFFFAOYSA-N -1 0 348.240 3.942 20 0 EHADRM C[C@@H](c1ccccc1)n1ccc(Nc2ncc(C(=O)[O-])cc2Cl)n1 ZINC001593713853 996225848 /nfs/dbraw/zinc/22/58/48/996225848.db2.gz OJFNULCOHLVMMS-NSHDSACASA-N -1 0 342.786 3.983 20 0 EHADRM C[C@@H](c1ccco1)N(C)Cc1oc(Br)cc1C(=O)[O-] ZINC001593719590 996244539 /nfs/dbraw/zinc/24/45/39/996244539.db2.gz PJCKJRCOHIWZHG-QMMMGPOBSA-N -1 0 328.162 3.526 20 0 EHADRM O=C([O-])CCN(C(=O)Cc1cc2c(ccc3ccccc23)o1)C1CC1 ZINC000683305051 1016027525 /nfs/dbraw/zinc/02/75/25/1016027525.db2.gz FJUXAVMKBQSDCT-UHFFFAOYSA-N -1 0 337.375 3.594 20 0 EHADRM C[C@]1(C(=O)Nc2cc(Br)c(F)c(C(=O)[O-])c2)C=CCC1 ZINC001593758508 996412895 /nfs/dbraw/zinc/41/28/95/996412895.db2.gz OOGGBYUXBRFSFY-AWEZNQCLSA-N -1 0 342.164 3.581 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)N2CCC[C@](C)(C(=O)[O-])C2)c2ccccc21 ZINC001593767777 996450801 /nfs/dbraw/zinc/45/08/01/996450801.db2.gz GNYHYMDBAQYFKW-UZLBHIALSA-N -1 0 344.455 3.695 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)Nc2ccc3ccnc(Cl)c3c2)C1 ZINC001593770870 996461769 /nfs/dbraw/zinc/46/17/69/996461769.db2.gz HKZUCWIXUQTCTH-KRWDZBQOSA-N -1 0 347.802 3.607 20 0 EHADRM C[C@]1(C(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)CCOc2ccccc21 ZINC001593813541 996545417 /nfs/dbraw/zinc/54/54/17/996545417.db2.gz PEHBRYISJAZBSI-SFHVURJKSA-N -1 0 346.766 3.684 20 0 EHADRM CC1(C)[C@H](c2ccc(Cl)cc2)CCN1c1nccc(C(=O)[O-])n1 ZINC001593837104 996593827 /nfs/dbraw/zinc/59/38/27/996593827.db2.gz DUSJWZYFXHBZOE-ZDUSSCGKSA-N -1 0 331.803 3.601 20 0 EHADRM CC1(C)C2CCC1(C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C1)CC2 ZINC001593841573 996599695 /nfs/dbraw/zinc/59/96/95/996599695.db2.gz DMFAVMGPSJOYGP-CXIVCQEWSA-N -1 0 341.451 3.530 20 0 EHADRM CC1(C)CC(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)CC(C)(C)C1 ZINC001593847327 996613327 /nfs/dbraw/zinc/61/33/27/996613327.db2.gz KQJVSRGCDKMMLE-FOIQADDNSA-N -1 0 335.488 3.942 20 0 EHADRM CC1(C)C[C@@]1(C(=O)NCC1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC001593863754 996664416 /nfs/dbraw/zinc/66/44/16/996664416.db2.gz MBVXOJUPJWVTJP-FQEVSTJZSA-N -1 0 329.440 3.506 20 0 EHADRM CC1(C)C[C@@]1(C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC001593864897 996669559 /nfs/dbraw/zinc/66/95/59/996669559.db2.gz KZJRPDXTCYGTMT-FGSXEWAUSA-N -1 0 349.430 3.784 20 0 EHADRM C[C@@](Cc1ccc(F)cc1)(NC(=O)C=C1CCC(C)(C)CC1)C(=O)[O-] ZINC001593870852 996681928 /nfs/dbraw/zinc/68/19/28/996681928.db2.gz IGFKFFKXCONTCU-FQEVSTJZSA-N -1 0 347.430 3.854 20 0 EHADRM CC1(C)CC[C@@H](C(=O)Nc2cccc(C(=O)[O-])c2Br)C1 ZINC001593874594 996691061 /nfs/dbraw/zinc/69/10/61/996691061.db2.gz NPPYYSBKKSLFDT-SECBINFHSA-N -1 0 340.217 3.912 20 0 EHADRM CC1(C)CC[C@@H](CC(=O)Nc2c(Cl)ccc(F)c2C(=O)[O-])OC1 ZINC001593877277 996699897 /nfs/dbraw/zinc/69/98/97/996699897.db2.gz XIYPJHIXVNXMKZ-VIFPVBQESA-N -1 0 343.782 3.711 20 0 EHADRM CC1(C)CCC(CNC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)CC1 ZINC001593878145 996702981 /nfs/dbraw/zinc/70/29/81/996702981.db2.gz MJQAHHSGLQQEES-JXFKEZNVSA-N -1 0 329.440 3.578 20 0 EHADRM CC1(C)CC[C@@H]1C(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001593883909 996719856 /nfs/dbraw/zinc/71/98/56/996719856.db2.gz XZWBXIWLPBGTKE-VXGBXAGGSA-N -1 0 330.302 3.968 20 0 EHADRM CC1(C)CCC[C@@](NC(=O)/C(F)=C/C2CCCCC2)(C(=O)[O-])C1 ZINC001593888003 996729419 /nfs/dbraw/zinc/72/94/19/996729419.db2.gz NSIORFVUDNBZMP-RMHQSFGDSA-N -1 0 325.424 3.960 20 0 EHADRM CC1(C)CCC[C@@H]1[C@H]1CCN(C(=O)Cc2ccccc2C(=O)[O-])C1 ZINC001593898782 996761744 /nfs/dbraw/zinc/76/17/44/996761744.db2.gz WUKKNGPSYLUECA-DOTOQJQBSA-N -1 0 329.440 3.602 20 0 EHADRM CC1(C)CCC[C@H]1CCNC(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001593902925 996768800 /nfs/dbraw/zinc/76/88/00/996768800.db2.gz BMIWRVZSPBPORL-HNNXBMFYSA-N -1 0 338.492 3.927 20 0 EHADRM COC(=O)N(C)Cc1ccc(N[C@H](C)c2cc(C(=O)[O-])cs2)cc1 ZINC001598877388 996772030 /nfs/dbraw/zinc/77/20/30/996772030.db2.gz GZZZYMDFBWSMOJ-LLVKDONJSA-N -1 0 348.424 3.818 20 0 EHADRM CC1(C)CCCC[C@@H]1CC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC001593904749 996783945 /nfs/dbraw/zinc/78/39/45/996783945.db2.gz JVYMMGSUVKSPGM-BZNIZROVSA-N -1 0 339.382 3.813 20 0 EHADRM CC1(C)CCCN1C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001593910308 996791534 /nfs/dbraw/zinc/79/15/34/996791534.db2.gz JURPHFFJRPFWHY-UHFFFAOYSA-N -1 0 345.443 3.781 20 0 EHADRM CC1(C)CCc2ccccc2[C@H](NC(=O)NC2CC(CC(=O)[O-])C2)C1 ZINC001593916040 996816352 /nfs/dbraw/zinc/81/63/52/996816352.db2.gz JWWDIVMANLNUEN-PUJMQQBBSA-N -1 0 344.455 3.643 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)/C=C/c2ccc3[nH]ccc3c2)c1 ZINC001599487954 996886443 /nfs/dbraw/zinc/88/64/43/996886443.db2.gz PEQMRQPDHHOJJY-XVNBXDOJSA-N -1 0 336.347 3.527 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)/C=C\c2ccc3[nH]ccc3c2)c1 ZINC001599487953 996886734 /nfs/dbraw/zinc/88/67/34/996886734.db2.gz PEQMRQPDHHOJJY-CLTKARDFSA-N -1 0 336.347 3.527 20 0 EHADRM COC[C@@H](Nc1ncc(C(=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC001599178253 996894071 /nfs/dbraw/zinc/89/40/71/996894071.db2.gz MRDLUWYHRNAVBM-CYBMUJFWSA-N -1 0 341.194 3.886 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)c2ccccc21 ZINC001593933910 996894779 /nfs/dbraw/zinc/89/47/79/996894779.db2.gz CGMAPYATUJHTEX-UHFFFAOYSA-N -1 0 328.343 3.854 20 0 EHADRM CC1(C)CN(C(=O)c2cc(F)cc(C(=O)[O-])c2)[C@@H]1c1cccs1 ZINC001593936379 996915772 /nfs/dbraw/zinc/91/57/72/996915772.db2.gz DLXREWQJRRCWRP-CQSZACIVSA-N -1 0 333.384 3.809 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)[C@H](C)C(C)(C)C)c1F ZINC001599489791 996917944 /nfs/dbraw/zinc/91/79/44/996917944.db2.gz QFAAFASBIIBDGY-UWVGGRQHSA-N -1 0 325.380 3.789 20 0 EHADRM COCc1cc(NC(=O)C(F)(F)c2ccccc2C)cc(C(=O)[O-])c1 ZINC001599284048 996944145 /nfs/dbraw/zinc/94/41/45/996944145.db2.gz MKNYGVTUIUDHNL-UHFFFAOYSA-N -1 0 349.333 3.570 20 0 EHADRM COCc1cc(NC(=O)N2CCC[C@H]2CCC(C)C)cc(C(=O)[O-])c1 ZINC001599284874 996958298 /nfs/dbraw/zinc/95/82/98/996958298.db2.gz IQXOWUVUGPTNRW-KRWDZBQOSA-N -1 0 348.443 3.964 20 0 EHADRM COc1cc(C(C)=O)ccc1OCc1cc(C(=O)[O-])ccc1Cl ZINC001599388797 996994091 /nfs/dbraw/zinc/99/40/91/996994091.db2.gz RHIGISLQBLWCJE-UHFFFAOYSA-N -1 0 334.755 3.828 20 0 EHADRM COc1cc(C(C)=O)ccc1SCc1ccccc1CC(=O)[O-] ZINC001599388844 996995325 /nfs/dbraw/zinc/99/53/25/996995325.db2.gz TXTMRMCRGGBVCY-UHFFFAOYSA-N -1 0 330.405 3.817 20 0 EHADRM COCc1cc(OCc2cc(C)c(C(=O)[O-])o2)c2cc(F)ccc2n1 ZINC001599289644 997041665 /nfs/dbraw/zinc/04/16/65/997041665.db2.gz RNIDZGKALKCGNO-UHFFFAOYSA-N -1 0 345.326 3.699 20 0 EHADRM CC1(C)CO[C@H](CCC(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)C1 ZINC001593954289 997043141 /nfs/dbraw/zinc/04/31/41/997043141.db2.gz KADYDZCARWWMRH-SNVBAGLBSA-N -1 0 343.782 3.711 20 0 EHADRM COCc1cc(NCc2ccc(C(=O)[O-])c(Cl)c2)ccc1OC ZINC001599289780 997044325 /nfs/dbraw/zinc/04/43/25/997044325.db2.gz NFMNQVBKOLOVLW-UHFFFAOYSA-N -1 0 335.787 3.805 20 0 EHADRM COc1cc(C)cc(C(=O)Oc2cc(C(=O)[O-])cc(F)c2C)c1C ZINC001599392619 997065752 /nfs/dbraw/zinc/06/57/52/997065752.db2.gz YLLFDEITLNVKCI-UHFFFAOYSA-N -1 0 332.327 3.677 20 0 EHADRM COc1cc(C)ccc1NC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC001599393974 997089808 /nfs/dbraw/zinc/08/98/08/997089808.db2.gz YSWCQNODGSVCKR-GFCCVEGCSA-N -1 0 328.368 3.836 20 0 EHADRM CC1(C)COc2c1cccc2C(=O)NC1(CCC(=O)[O-])CCCCC1 ZINC001593961376 997091788 /nfs/dbraw/zinc/09/17/88/997091788.db2.gz ZHQQALLAMVJUFD-UHFFFAOYSA-N -1 0 345.439 3.654 20 0 EHADRM COc1cc(C)c(NC(=O)N[C@H](CC(=O)[O-])C2CCCC2)c(C)c1C ZINC001599394009 997091777 /nfs/dbraw/zinc/09/17/77/997091777.db2.gz SVBMZRCWOJIUHS-OAHLLOKOSA-N -1 0 348.443 3.775 20 0 EHADRM COc1ccc(C(=O)[O-])c2c1CN(Cc1c(F)cccc1Cl)CC2 ZINC001599501196 997122802 /nfs/dbraw/zinc/12/28/02/997122802.db2.gz JRNXCAKMXPCRMN-UHFFFAOYSA-N -1 0 349.789 3.744 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1ccsc1Cl ZINC001599398305 997168447 /nfs/dbraw/zinc/16/84/47/997168447.db2.gz JBVUOXGYQPNUKW-HYXAFXHYSA-N -1 0 338.768 3.727 20 0 EHADRM COc1ccc(/C(C)=C\C(=O)Nc2scc(C)c2C(=O)[O-])cc1 ZINC001599505456 997203877 /nfs/dbraw/zinc/20/38/77/997203877.db2.gz OTYYRVZUGHVPDW-NTMALXAHSA-N -1 0 331.393 3.805 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1ccc(C)c(C)c1 ZINC001599400649 997208874 /nfs/dbraw/zinc/20/88/74/997208874.db2.gz TYUDBYCSUDSEPK-RMKNXTFCSA-N -1 0 326.348 3.629 20 0 EHADRM COc1cc(C=CC(=O)[O-])ccc1OCC(=O)c1cccc(Cl)c1 ZINC001599401288 997219807 /nfs/dbraw/zinc/21/98/07/997219807.db2.gz WCSWVJAWMRBUPW-SOFGYWHQSA-N -1 0 346.766 3.708 20 0 EHADRM COCC1(NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CCCCC1 ZINC001599200163 997291224 /nfs/dbraw/zinc/29/12/24/997291224.db2.gz FPFQTBPENPNOKX-UHFFFAOYSA-N -1 0 348.443 3.520 20 0 EHADRM C[C@]1(CC(=O)Nc2cccc(CCC(=O)[O-])c2)CC1(Cl)Cl ZINC001593998052 997321265 /nfs/dbraw/zinc/32/12/65/997321265.db2.gz HNXIMQQGPFDGFK-AWEZNQCLSA-N -1 0 330.211 3.616 20 0 EHADRM COC1CCC(CC(=O)O[C@H]2CCCc3cc(C(=O)[O-])ccc32)CC1 ZINC001599100384 997371071 /nfs/dbraw/zinc/37/10/71/997371071.db2.gz VDFQYNXEWOGBAZ-AUCFXJAVSA-N -1 0 346.423 3.901 20 0 EHADRM CON(Cc1ccccc1)[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001599318758 997544026 /nfs/dbraw/zinc/54/40/26/997544026.db2.gz QPUDXQIOKCXHMO-HNNXBMFYSA-N -1 0 339.313 3.895 20 0 EHADRM CO[C@H]1CCC[C@H](CC(=O)OCc2cccc(C(=O)[O-])c2Cl)C1 ZINC001599111795 997582762 /nfs/dbraw/zinc/58/27/62/997582762.db2.gz GCGMIDRFSOATPU-AAEUAGOBSA-N -1 0 340.803 3.677 20 0 EHADRM CO[C@H]1CCC[C@H](CC(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC001599112528 997594688 /nfs/dbraw/zinc/59/46/88/997594688.db2.gz NPYYZTNAGCZVNE-QWRGUYRKSA-N -1 0 326.776 3.539 20 0 EHADRM COc1cc(Cl)ccc1C(=O)OCc1cc(C(=O)[O-])ccc1C ZINC001599421493 997603546 /nfs/dbraw/zinc/60/35/46/997603546.db2.gz UCQPLCDVSICBRO-UHFFFAOYSA-N -1 0 334.755 3.712 20 0 EHADRM CO[C@H]1CCC[C@@H](CC(=O)Nc2ccc(Cl)cc2C(=O)[O-])C1 ZINC001599113450 997611461 /nfs/dbraw/zinc/61/14/61/997611461.db2.gz TZWRTZNITBGWEB-PWSUYJOCSA-N -1 0 325.792 3.572 20 0 EHADRM COCCC1(CNC(=O)Nc2ccc(C(=O)[O-])c(C)c2)CCCCC1 ZINC001599218307 997622008 /nfs/dbraw/zinc/62/20/08/997622008.db2.gz DSNKWUXZGCQAIP-UHFFFAOYSA-N -1 0 348.443 3.802 20 0 EHADRM COc1ccc([C@@H](NCc2cc(C(=O)[O-])cs2)C(F)(F)F)cc1 ZINC001599530801 997648321 /nfs/dbraw/zinc/64/83/21/997648321.db2.gz GLKLMRNEUUYWAD-CYBMUJFWSA-N -1 0 345.342 3.848 20 0 EHADRM CO[C@H]1CCC[C@H]1CNC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001599116096 997654876 /nfs/dbraw/zinc/65/48/76/997654876.db2.gz XVFQXWFSKGRKKH-AAEUAGOBSA-N -1 0 348.424 3.536 20 0 EHADRM CO[C@H]1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1Cl ZINC001599116288 997658831 /nfs/dbraw/zinc/65/88/31/997658831.db2.gz WCTSQMPZRHGQJG-KCJUWKMLSA-N -1 0 346.210 3.835 20 0 EHADRM C[C@]1(Cc2cccc(F)c2)CCCN1C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001594041855 997669162 /nfs/dbraw/zinc/66/91/62/997669162.db2.gz UUQNNSVFVAEVTI-GQIGUUNPSA-N -1 0 347.430 3.640 20 0 EHADRM COc1ccc(C)cc1[C@H](C)NC(=O)Nc1cc(C(=O)[O-])sc1C ZINC001599536196 997748653 /nfs/dbraw/zinc/74/86/53/997748653.db2.gz STVJFCLUZPDWIF-JTQLQIEISA-N -1 0 348.424 3.954 20 0 EHADRM COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001599539104 997799582 /nfs/dbraw/zinc/79/95/82/997799582.db2.gz ODTGADBFEFPIJE-QGZVFWFLSA-N -1 0 340.379 3.762 20 0 EHADRM C[C@]1(NC(=O)Nc2cccc(CSCC(=O)[O-])c2)CC=CCC1 ZINC001594058124 997817451 /nfs/dbraw/zinc/81/74/51/997817451.db2.gz YBKCAWAUAVIPME-KRWDZBQOSA-N -1 0 334.441 3.625 20 0 EHADRM COC(=O)c1cc(COc2c(C(=O)[O-])ccc3ccccc32)c(C)o1 ZINC001598934174 997831142 /nfs/dbraw/zinc/83/11/42/997831142.db2.gz BOHAHLDAXFLYCE-UHFFFAOYSA-N -1 0 340.331 3.805 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC001599541023 997842864 /nfs/dbraw/zinc/84/28/64/997842864.db2.gz BDHCAUITYYQRKE-LPXAQJHASA-N -1 0 330.380 3.525 20 0 EHADRM COc1cc(NC(=O)N2CCC[C@H]2c2ccsc2)ccc1C(=O)[O-] ZINC001599436091 997848443 /nfs/dbraw/zinc/84/84/43/997848443.db2.gz UOWMMNQJUPXPJW-AWEZNQCLSA-N -1 0 346.408 3.824 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)[C@@H](C)c1cccc(F)c1 ZINC001599541411 997849262 /nfs/dbraw/zinc/84/92/62/997849262.db2.gz FNZSUQQVIMAIMH-CRALRDPISA-N -1 0 344.338 3.641 20 0 EHADRM COc1c(NC(=O)CCc2ccc(Cl)cc2)cccc1C(=O)[O-] ZINC001599336987 997854793 /nfs/dbraw/zinc/85/47/93/997854793.db2.gz BYEFAHYZQGXKRM-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM COc1c(NC(=O)N(C)[C@H](C)c2cccs2)cccc1C(=O)[O-] ZINC001599338281 997876628 /nfs/dbraw/zinc/87/66/28/997876628.db2.gz JNFVLDFJTGITEO-SNVBAGLBSA-N -1 0 334.397 3.680 20 0 EHADRM COc1ccc(/C=C\c2ccc(N3CCC(C(=O)[O-])CC3)nc2)cc1 ZINC001599543532 997884905 /nfs/dbraw/zinc/88/49/05/997884905.db2.gz JCOPTSFPBFQUFI-IHWYPQMZSA-N -1 0 338.407 3.562 20 0 EHADRM COc1cc(NC(=O)NC(C)(C)c2cccs2)ccc1C(=O)[O-] ZINC001599438182 997885355 /nfs/dbraw/zinc/88/53/55/997885355.db2.gz UKAGORCOFXURBI-UHFFFAOYSA-N -1 0 334.397 3.512 20 0 EHADRM COc1c(NC(=O)N2CCC[C@@H]2c2ccsc2)cccc1C(=O)[O-] ZINC001599340093 997907112 /nfs/dbraw/zinc/90/71/12/997907112.db2.gz MSLMCIQGKSMLKL-CQSZACIVSA-N -1 0 346.408 3.824 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OCc1cnc(Cl)c(F)c1 ZINC001599546350 997928882 /nfs/dbraw/zinc/92/88/82/997928882.db2.gz NAURVVVLWYOXIG-HWKANZROSA-N -1 0 337.734 3.560 20 0 EHADRM COc1c(NC(=O)c2cc3ccccc3cc2F)cccc1C(=O)[O-] ZINC001599341426 997929367 /nfs/dbraw/zinc/92/93/67/997929367.db2.gz BECKJTBKKJWBJD-UHFFFAOYSA-N -1 0 339.322 3.938 20 0 EHADRM CC1(c2cccc(Cl)c2)CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001594074547 997939831 /nfs/dbraw/zinc/93/98/31/997939831.db2.gz VTCDHBVMEBCOEY-UONOGXRCSA-N -1 0 349.858 3.721 20 0 EHADRM COc1c(NC(=O)c2ccc(Cl)c(Cl)c2)cccc1C(=O)[O-] ZINC001599342788 997950302 /nfs/dbraw/zinc/95/03/02/997950302.db2.gz PGFNHGXNLLRQEE-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM COc1c(Nc2cccc(Oc3ccccc3)c2)ncnc1C(=O)[O-] ZINC001599344689 997982302 /nfs/dbraw/zinc/98/23/02/997982302.db2.gz MHEQGFPSJKECOQ-UHFFFAOYSA-N -1 0 337.335 3.719 20 0 EHADRM COc1ccc(C[C@H](C)N(C)C(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC001599550353 997995985 /nfs/dbraw/zinc/99/59/85/997995985.db2.gz BTMGHGNWCFRQKP-NSHDSACASA-N -1 0 348.424 3.550 20 0 EHADRM COc1ccc(C[C@H](C)N(C)c2nc(Cl)c(C(=O)[O-])s2)cc1 ZINC001599551523 998014394 /nfs/dbraw/zinc/01/43/94/998014394.db2.gz VJRFOZWZNYUQKC-VIFPVBQESA-N -1 0 340.832 3.571 20 0 EHADRM COc1cc(OC(=O)c2cccc(C(F)(F)F)c2)ccc1C(=O)[O-] ZINC001599447765 998036954 /nfs/dbraw/zinc/03/69/54/998036954.db2.gz LXFUFUFDPCUNRU-UHFFFAOYSA-N -1 0 340.253 3.631 20 0 EHADRM COc1ccc(CCC(=O)OCc2cccc(C(=O)[O-])c2)cc1Cl ZINC001599552982 998040775 /nfs/dbraw/zinc/04/07/75/998040775.db2.gz SRWDTDSDSWYSNW-UHFFFAOYSA-N -1 0 348.782 3.723 20 0 EHADRM CC1=C(C(=O)[O-])[C@@H](c2ccc3ccccc3c2)NC(=O)N1CC1CC1 ZINC001594097927 998075287 /nfs/dbraw/zinc/07/52/87/998075287.db2.gz JYUQVACRYMXJNR-GOSISDBHSA-N -1 0 336.391 3.675 20 0 EHADRM COc1cc(OC)c(OC)cc1CS[C@H](C(=O)[O-])c1ccccc1 ZINC001599450064 998077452 /nfs/dbraw/zinc/07/74/52/998077452.db2.gz XIMXFSGHANPSAM-KRWDZBQOSA-N -1 0 348.420 3.772 20 0 EHADRM COc1cc(OC)cc([C@H](Sc2nc(C)c(C)s2)C(=O)[O-])c1 ZINC001599451868 998117127 /nfs/dbraw/zinc/11/71/27/998117127.db2.gz UHHFQEJFTSVMLP-ZDUSSCGKSA-N -1 0 339.438 3.695 20 0 EHADRM COc1ccc(CN([C@@H](C)c2ncc(C(=O)[O-])s2)C2CC2)cc1 ZINC001599558463 998140939 /nfs/dbraw/zinc/14/09/39/998140939.db2.gz BWQKPQAOPDAVFO-NSHDSACASA-N -1 0 332.425 3.576 20 0 EHADRM CC1=C(C(=O)[O-])C[C@@H](CSc2nc3ccc(F)cc3s2)O1 ZINC001594107301 998174330 /nfs/dbraw/zinc/17/43/30/998174330.db2.gz ZYXIWWFPPIXLQQ-VIFPVBQESA-N -1 0 325.386 3.675 20 0 EHADRM COc1cc(OCc2ncc(Cl)cc2Cl)ccc1C(=O)[O-] ZINC001599457064 998205657 /nfs/dbraw/zinc/20/56/57/998205657.db2.gz UWURTEMXSOFDFY-UHFFFAOYSA-N -1 0 328.151 3.674 20 0 EHADRM COCCOCc1cccc(N[C@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC001599253072 998265615 /nfs/dbraw/zinc/26/56/15/998265615.db2.gz ROJYBSNGILWDCO-KRWDZBQOSA-N -1 0 349.814 3.741 20 0 EHADRM COc1cc(C(=O)[O-])ccc1CCNC(=O)CCCCC(C)(C)C ZINC001599364155 998309066 /nfs/dbraw/zinc/30/90/66/998309066.db2.gz QXRXBEXIIFTUPK-UHFFFAOYSA-N -1 0 335.444 3.659 20 0 EHADRM COCCOc1ccc(CNc2cccc3cc(C(=O)[O-])sc32)o1 ZINC001599258578 998347491 /nfs/dbraw/zinc/34/74/91/998347491.db2.gz AZHPGJYQJPVJRK-UHFFFAOYSA-N -1 0 347.392 3.830 20 0 EHADRM COCCOc1ccc(SCc2ccc(C(=O)[O-])cc2F)cc1 ZINC001599260067 998370739 /nfs/dbraw/zinc/37/07/39/998370739.db2.gz NJNAOVRTIHQESI-UHFFFAOYSA-N -1 0 336.384 3.841 20 0 EHADRM COc1cc2ccccc2cc1C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001599466875 998377667 /nfs/dbraw/zinc/37/76/67/998377667.db2.gz WCRGRMFZHRAJOZ-UHFFFAOYSA-N -1 0 341.407 3.613 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N(C)[C@@H](C)Cc1cccs1 ZINC001599369926 998393397 /nfs/dbraw/zinc/39/33/97/998393397.db2.gz FDAPHZZRTPAHNE-NSHDSACASA-N -1 0 348.424 3.550 20 0 EHADRM COc1ccc(CNc2ccnc3c(OC)cccc23)cc1C(=O)[O-] ZINC001599574741 998423917 /nfs/dbraw/zinc/42/39/17/998423917.db2.gz OPMGZTIANNHJKX-UHFFFAOYSA-N -1 0 338.363 3.562 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N[C@H](C1CCC1)C1CCCC1 ZINC001599372306 998430360 /nfs/dbraw/zinc/43/03/60/998430360.db2.gz FCKPJEFSMKOVEH-KRWDZBQOSA-N -1 0 346.427 3.874 20 0 EHADRM COCCc1nc2cc(N[C@H](C)CC(C)(C)CC(=O)[O-])ccc2o1 ZINC001599265218 998456650 /nfs/dbraw/zinc/45/66/50/998456650.db2.gz JTYOQXDSWWUPNM-GFCCVEGCSA-N -1 0 334.416 3.708 20 0 EHADRM COc1ccc(Cl)cc1C(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001599578725 998489929 /nfs/dbraw/zinc/48/99/29/998489929.db2.gz DZAZOEUGZSXFEL-QGZVFWFLSA-N -1 0 339.819 3.502 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@]1(C)CCCc2ccccc21 ZINC001599377489 998511183 /nfs/dbraw/zinc/51/11/83/998511183.db2.gz BIIJBXQTOCPZSC-HXUWFJFHSA-N -1 0 340.375 3.593 20 0 EHADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)Nc1ccc(-c2ccccc2)cc1F ZINC001594152428 998540375 /nfs/dbraw/zinc/54/03/75/998540375.db2.gz HEWXNQMSJPEWCO-SWLSCSKDSA-N -1 0 342.370 3.820 20 0 EHADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)Nc1ccccc1-c1cccs1 ZINC001594156917 998573403 /nfs/dbraw/zinc/57/34/03/998573403.db2.gz OZKFQLNXAJBHND-NWDGAFQWSA-N -1 0 330.409 3.742 20 0 EHADRM COC(=O)c1ccc(Cl)c(CNc2ccc(C)c(C(=O)[O-])c2)c1 ZINC001598975393 998594318 /nfs/dbraw/zinc/59/43/18/998594318.db2.gz GECKYWKTZFVENL-UHFFFAOYSA-N -1 0 333.771 3.745 20 0 EHADRM COC[C@H](N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccc(Cl)cc1 ZINC001599172342 998624756 /nfs/dbraw/zinc/62/47/56/998624756.db2.gz CSADJBCVYXQQHX-CABZTGNLSA-N -1 0 340.832 3.533 20 0 EHADRM C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccccc1C(=O)[O-] ZINC001594172685 998663008 /nfs/dbraw/zinc/66/30/08/998663008.db2.gz GEZSSVTYIIYIQP-MWLCHTKSSA-N -1 0 330.306 3.580 20 0 EHADRM C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001594173151 998665661 /nfs/dbraw/zinc/66/56/61/998665661.db2.gz LSTAJIDXUJDWSA-CABZTGNLSA-N -1 0 330.306 3.580 20 0 EHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1Nc1ccc(OCC(F)(F)F)cc1 ZINC001594184280 998714529 /nfs/dbraw/zinc/71/45/29/998714529.db2.gz IJMWTVMRIXFKBP-GYSYKLTISA-N -1 0 331.334 3.929 20 0 EHADRM C[C@H]1[C@H](Nc2ccccc2OCC(F)(F)F)CC[C@H]1CC(=O)[O-] ZINC001594186523 998721162 /nfs/dbraw/zinc/72/11/62/998721162.db2.gz WIXZWWDBOYJWLL-GRYCIOLGSA-N -1 0 331.334 3.929 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3)cc2C(=O)[O-])CO1 ZINC001594203820 998784630 /nfs/dbraw/zinc/78/46/30/998784630.db2.gz QTQBHSJEEOONJC-CHWSQXEVSA-N -1 0 341.363 3.541 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1C(=O)c1cc(Cl)ccc1Cl ZINC001594205663 998790412 /nfs/dbraw/zinc/79/04/12/998790412.db2.gz HUFRKSLMQAEROR-ILWJIGKKSA-N -1 0 330.211 3.707 20 0 EHADRM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1C(=O)c1ccc(Oc2ccccc2)o1 ZINC001594205928 998791909 /nfs/dbraw/zinc/79/19/09/998791909.db2.gz MOVMFAREIPGVEC-CHWSQXEVSA-N -1 0 343.379 3.786 20 0 EHADRM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1C(=O)c1cc2ccccc2c(Cl)n1 ZINC001594206029 998792699 /nfs/dbraw/zinc/79/26/99/998792699.db2.gz OBYZCWIZKWGMRG-GHMZBOCLSA-N -1 0 346.814 3.602 20 0 EHADRM COC(=O)c1cccc(CSc2nc(C(=O)[O-])cs2)c1Cl ZINC001598999102 998808126 /nfs/dbraw/zinc/80/81/26/998808126.db2.gz JDVRBRBRBJUKHO-UHFFFAOYSA-N -1 0 343.813 3.574 20 0 EHADRM COC(=O)c1sccc1CNc1ccc(SC)c(C(=O)[O-])c1 ZINC001599023472 998998855 /nfs/dbraw/zinc/99/88/55/998998855.db2.gz DSXBETMATYDCQV-UHFFFAOYSA-N -1 0 337.422 3.567 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)/C=C\c2ccc(C(=O)[O-])o2)C1 ZINC001594268806 999039436 /nfs/dbraw/zinc/03/94/36/999039436.db2.gz CFTCFOGBBKRBSL-CVZQOPCLSA-N -1 0 325.364 3.601 20 0 EHADRM CO[C@@](C)(C(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1)c1ccccc1 ZINC001599029573 999040611 /nfs/dbraw/zinc/04/06/11/999040611.db2.gz HFMCQBFIBMQHNY-HXUWFJFHSA-N -1 0 342.391 3.516 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2ccccc2CCC(=O)[O-])C1 ZINC001594269608 999042314 /nfs/dbraw/zinc/04/23/14/999042314.db2.gz LFDUTIXXESEXAM-DNVCBOLYSA-N -1 0 337.419 3.927 20 0 EHADRM CO[C@H](C)CCC(=O)Nc1ccc(Oc2ccccc2)cc1C(=O)[O-] ZINC001599038784 999103130 /nfs/dbraw/zinc/10/31/30/999103130.db2.gz FXUGFFFOCDJITK-CYBMUJFWSA-N -1 0 343.379 3.931 20 0 EHADRM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001594285884 999106749 /nfs/dbraw/zinc/10/67/49/999106749.db2.gz PYQUFKBTIJVVOT-WRJYRGCMSA-N -1 0 341.451 3.603 20 0 EHADRM C[C@@H]1CC=C(C(=O)NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)CC1 ZINC001594290371 999117704 /nfs/dbraw/zinc/11/77/04/999117704.db2.gz HJHIPMUPJKYHBX-CXAGYDPISA-N -1 0 327.424 3.667 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@@H]2N1c1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001594292383 999127761 /nfs/dbraw/zinc/12/77/61/999127761.db2.gz JTQVKSSASPRXTJ-BREBYQMCSA-N -1 0 328.334 3.956 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001594292402 999128199 /nfs/dbraw/zinc/12/81/99/999128199.db2.gz KNHWGXOQTYYDRN-BREBYQMCSA-N -1 0 338.354 3.848 20 0 EHADRM C[C@@H]1CC[C@](C)(/C=C\C(=O)N[C@H](C(=O)[O-])c2ccc(O)cc2)C1(C)C ZINC001594295388 999136341 /nfs/dbraw/zinc/13/63/41/999136341.db2.gz AUSDLYXTYQUFTF-FYCAJZRCSA-N -1 0 345.439 3.653 20 0 EHADRM C[C@H]1CC[C@H](C(=O)N[C@H](CC(=O)[O-])c2cccc3ccccc32)C1 ZINC001594295477 999136738 /nfs/dbraw/zinc/13/67/38/999136738.db2.gz HZFDBFMOLHTFDU-DHSIGJKJSA-N -1 0 325.408 3.908 20 0 EHADRM CO[C@@H](CC(C)C)C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)[O-] ZINC001599044831 999143509 /nfs/dbraw/zinc/14/35/09/999143509.db2.gz DFRSQAPRRYKQGI-LBPRGKRZSA-N -1 0 334.199 3.691 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)Nc2cc3c(cc2C(=O)[O-])OCCCO3)C[C@@H]1C ZINC001594297729 999148952 /nfs/dbraw/zinc/14/89/52/999148952.db2.gz ZNSFUMVABIJVCY-AGIUHOORSA-N -1 0 347.411 3.557 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COc1cccc(C(=O)[O-])c1 ZINC001594297908 999149412 /nfs/dbraw/zinc/14/94/12/999149412.db2.gz BYTGFZUHUKXFLI-XOKHGSTOSA-N -1 0 334.412 3.768 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)c1cccc(CC(=O)[O-])c1 ZINC001594298370 999151213 /nfs/dbraw/zinc/15/12/13/999151213.db2.gz IFQBXBGUKJQWOS-FHLIZLRMSA-N -1 0 331.456 3.752 20 0 EHADRM CO[C@@H](CSc1nc(C(F)(F)F)ccc1C(=O)[O-])C1CCC1 ZINC001599056788 999235884 /nfs/dbraw/zinc/23/58/84/999235884.db2.gz DWSWNZUGJPZRPN-JTQLQIEISA-N -1 0 335.347 3.706 20 0 EHADRM CO[C@@H](CSc1cc2ccccc2cc1C(=O)[O-])[C@@H]1CCOC1 ZINC001599059252 999253175 /nfs/dbraw/zinc/25/31/75/999253175.db2.gz OPPPFDRTLUOWJU-ZBFHGGJFSA-N -1 0 332.421 3.682 20 0 EHADRM CO[C@H](c1noc(-c2ccc(C(=O)[O-])cc2)n1)c1cccc(Cl)c1 ZINC001599062308 999274868 /nfs/dbraw/zinc/27/48/68/999274868.db2.gz AJASCCXOKKAPCK-AWEZNQCLSA-N -1 0 344.754 3.824 20 0 EHADRM C[C@H]1CCC[C@H](NC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CC1 ZINC001594353006 999337434 /nfs/dbraw/zinc/33/74/34/999337434.db2.gz YVQXKQYZDOBLPJ-ZFZWDLNGSA-N -1 0 330.428 3.965 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CCNC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001594363318 999371191 /nfs/dbraw/zinc/37/11/91/999371191.db2.gz CUEPABIFWIYFLC-CHWSQXEVSA-N -1 0 336.407 3.540 20 0 EHADRM C[C@@H]1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)c2ccccc21 ZINC001594394206 999485527 /nfs/dbraw/zinc/48/55/27/999485527.db2.gz HVOCBPFXTDSJSN-WPUWVODUSA-N -1 0 327.424 3.952 20 0 EHADRM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001594444790 999635624 /nfs/dbraw/zinc/63/56/24/999635624.db2.gz AJEHXSNHSUANSG-PIGZYNQJSA-N -1 0 342.370 3.969 20 0 EHADRM C[C@@H]1CCc2c(sc3ncnc(NCC(C)(C)CC(=O)[O-])c32)C1 ZINC001594445852 999638641 /nfs/dbraw/zinc/63/86/41/999638641.db2.gz RBPXZCJQPCQMEV-SNVBAGLBSA-N -1 0 333.457 3.729 20 0 EHADRM C[C@H]1CCc2nc(CN3CCc4c(cccc4C(=O)[O-])C3)sc2C1 ZINC001594450510 999647544 /nfs/dbraw/zinc/64/75/44/999647544.db2.gz GZDLUXLMAZWIJU-LBPRGKRZSA-N -1 0 342.464 3.524 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCSc2ccccc21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655579440 1016434381 /nfs/dbraw/zinc/43/43/81/1016434381.db2.gz POSMLYFIUXFEHR-PMOUVXMZSA-N -1 0 347.480 3.518 20 0 EHADRM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1nc(C2CCC2)cs1 ZINC000430366165 1016490461 /nfs/dbraw/zinc/49/04/61/1016490461.db2.gz HRRITXNNIXFVMH-UHFFFAOYSA-N -1 0 340.445 3.967 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3[C@H](C)CC[C@H]3C)n2)c1 ZINC000119293537 1016505345 /nfs/dbraw/zinc/50/53/45/1016505345.db2.gz PPYWJPKGAQKIFL-ZIAGYGMSSA-N -1 0 327.428 3.714 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCCC[C@H]1c1ccccc1)C(=O)[O-] ZINC000424422508 1016516528 /nfs/dbraw/zinc/51/65/28/1016516528.db2.gz MXSQEHGNCMGJDZ-SJORKVTESA-N -1 0 332.444 3.670 20 0 EHADRM CC(C)c1scnc1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000650202859 1016581176 /nfs/dbraw/zinc/58/11/76/1016581176.db2.gz SXMDVPYDPMMUAE-UHFFFAOYSA-N -1 0 334.825 3.860 20 0 EHADRM CCc1cnc([N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)s1 ZINC000349164831 1016586687 /nfs/dbraw/zinc/58/66/87/1016586687.db2.gz BGEMYVODWYQAHN-UHFFFAOYSA-N -1 0 340.401 3.700 20 0 EHADRM Cc1noc(-c2ccccc2C(=O)Nc2cccc(Cl)c2[O-])n1 ZINC000179721164 1016879188 /nfs/dbraw/zinc/87/91/88/1016879188.db2.gz IHOHQRTYPBELIF-UHFFFAOYSA-N -1 0 329.743 3.656 20 0 EHADRM CC(C)(C)n1ccnc1SCC(=O)Nc1cc(Cl)ccc1O ZINC000340302769 1016908636 /nfs/dbraw/zinc/90/86/36/1016908636.db2.gz KQPBQYSVYVPNCR-UHFFFAOYSA-N -1 0 339.848 3.728 20 0 EHADRM C[C@H](NC(=O)c1ccc(O)cc1F)c1cccc(OC(F)F)c1 ZINC000181138105 1016909150 /nfs/dbraw/zinc/90/91/50/1016909150.db2.gz ZNINSZBOFNLJTM-VIFPVBQESA-N -1 0 325.286 3.624 20 0 EHADRM COc1cc(Br)cnc1Nc1ccc(C(=O)[O-])c(C)c1 ZINC001211647674 1016916537 /nfs/dbraw/zinc/91/65/37/1016916537.db2.gz CARYYUBLFVLOLW-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1ccccc1Cn1cccn1 ZINC000340316459 1016930167 /nfs/dbraw/zinc/93/01/67/1016930167.db2.gz FZHVDJOIXLXZSC-UHFFFAOYSA-N -1 0 327.771 3.543 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N2CC[C@@H](C(C)C)C2)s1 ZINC000471305415 1016971549 /nfs/dbraw/zinc/97/15/49/1016971549.db2.gz JIKFLKUTSHFSDY-GFCCVEGCSA-N -1 0 348.447 3.584 20 0 EHADRM O=C([O-])COc1ccc(C(=O)N2CCC[C@@H]2CC2CCCCC2)cc1 ZINC000659756671 1016979731 /nfs/dbraw/zinc/97/97/31/1016979731.db2.gz OYVVGZZYWVSVDQ-QGZVFWFLSA-N -1 0 345.439 3.725 20 0 EHADRM CCO[C@@H](C)c1nc(CN(CCC(=O)[O-])Cc2ccccc2)cs1 ZINC000659790366 1017019135 /nfs/dbraw/zinc/01/91/35/1017019135.db2.gz PDLQHGNHAXENCE-AWEZNQCLSA-N -1 0 348.468 3.718 20 0 EHADRM CC(C)=CCCNC(=O)N=c1[n-]nc(-c2cc(F)ccc2C)s1 ZINC000471313721 1017019661 /nfs/dbraw/zinc/01/96/61/1017019661.db2.gz XTFZIERSTUJIGY-UHFFFAOYSA-N -1 0 334.420 3.552 20 0 EHADRM Cc1nc(CN2CCC(Cc3ccccc3C(=O)[O-])CC2)cs1 ZINC000659792963 1017025614 /nfs/dbraw/zinc/02/56/14/1017025614.db2.gz LUHKGRLDRZOEFE-UHFFFAOYSA-N -1 0 330.453 3.604 20 0 EHADRM Cc1cccc2cc(C(=O)N3[C@@H]4CCCC[C@@H]4C[C@H]3C(=O)[O-])oc21 ZINC000262379635 1032175648 /nfs/dbraw/zinc/17/56/48/1032175648.db2.gz LGWMRABJISXNIS-YUELXQCFSA-N -1 0 327.380 3.599 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1cc(F)cnc1Br ZINC001211616615 1032283030 /nfs/dbraw/zinc/28/30/30/1032283030.db2.gz QUWSPBUWJTXAQO-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM CCn1cc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c2ccccc21 ZINC000249814582 1032297698 /nfs/dbraw/zinc/29/76/98/1032297698.db2.gz APXWXTXSPQMWRE-XCRHUMRWSA-N -1 0 340.423 3.519 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2cccc(C)c2Cl)cn1 ZINC000538365723 1032323294 /nfs/dbraw/zinc/32/32/94/1032323294.db2.gz ZUKHTOLVVCHIBY-UHFFFAOYSA-N -1 0 328.846 3.566 20 0 EHADRM CSCCCCc1nc(=O)c2snc(-c3ccccc3)c2[n-]1 ZINC000905022430 1032328514 /nfs/dbraw/zinc/32/85/14/1032328514.db2.gz DROMCYVLUOQVNA-UHFFFAOYSA-N -1 0 331.466 3.732 20 0 EHADRM C[C@@H]1CC[C@H](c2nc(=O)c3snc(-c4ccc(F)cc4)c3[n-]2)O1 ZINC000905031474 1032330422 /nfs/dbraw/zinc/33/04/22/1032330422.db2.gz IHKDGYMGNRMJEB-LDYMZIIASA-N -1 0 331.372 3.838 20 0 EHADRM CCc1ccc(CN=c2nc(Cc3ccc(F)cc3F)[n-]s2)o1 ZINC000461216931 1032336034 /nfs/dbraw/zinc/33/60/34/1032336034.db2.gz ZPUGFMZNDOGRBD-UHFFFAOYSA-N -1 0 335.379 3.597 20 0 EHADRM CSc1cccc(NC(=O)[C@@H]2C[C@@]2(C(=O)[O-])c2ccccc2)c1C ZINC000905118270 1032348315 /nfs/dbraw/zinc/34/83/15/1032348315.db2.gz OZSGJZMAYXWGCA-IFXJQAMLSA-N -1 0 341.432 3.698 20 0 EHADRM Cc1cc(F)ccc1-c1noc(-c2nc[n-]c2C(=O)c2ccccc2)n1 ZINC000685293641 1032360425 /nfs/dbraw/zinc/36/04/25/1032360425.db2.gz XXANJEHXUQLIMT-UHFFFAOYSA-N -1 0 348.337 3.805 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@H](C)Oc1cccc(C(C)C)c1 ZINC000538471982 1032394162 /nfs/dbraw/zinc/39/41/62/1032394162.db2.gz IIQJERBECJLJQG-AWEZNQCLSA-N -1 0 335.444 3.727 20 0 EHADRM Cc1ccc2cccc(S(=O)(=O)[N-]c3cccc4[nH]ccc43)c2n1 ZINC000084920442 1032467605 /nfs/dbraw/zinc/46/76/05/1032467605.db2.gz VIIAJFJHWSKPSB-UHFFFAOYSA-N -1 0 337.404 3.825 20 0 EHADRM Cc1nc(C)c([N-]S(=O)(=O)c2c(Cl)cccc2Cl)s1 ZINC000088545746 1032506130 /nfs/dbraw/zinc/50/61/30/1032506130.db2.gz ZDZGGZUZPFOOAC-UHFFFAOYSA-N -1 0 337.253 3.868 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000601990610 1032582667 /nfs/dbraw/zinc/58/26/67/1032582667.db2.gz DKPLXIHDUCWTOC-IIYDPXPESA-N -1 0 347.480 3.650 20 0 EHADRM C[C@@H](S[C@H](C)C(=O)Nc1cc(C(F)F)ccc1Cl)C(=O)[O-] ZINC000601988392 1032583320 /nfs/dbraw/zinc/58/33/20/1032583320.db2.gz JFFVVJOEALXIQL-RNFRBKRXSA-N -1 0 337.775 3.811 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)Nc1cccc(C(F)F)c1Cl)C(=O)[O-] ZINC000601995301 1032586946 /nfs/dbraw/zinc/58/69/46/1032586946.db2.gz YMLPOSJOWMMUCK-BQBZGAKWSA-N -1 0 337.775 3.811 20 0 EHADRM CCCc1cnc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)s1 ZINC000537352410 1032652609 /nfs/dbraw/zinc/65/26/09/1032652609.db2.gz OCHWTTSADBBQCE-UHFFFAOYSA-N -1 0 340.470 3.522 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2nc(C3CCC3)cs2)c1F ZINC000579913544 1017107710 /nfs/dbraw/zinc/10/77/10/1017107710.db2.gz UZIIXPORLJPFRL-UHFFFAOYSA-N -1 0 326.418 3.659 20 0 EHADRM O=C([O-])CN(C(=O)Cc1coc2ccc3ccccc3c12)C1CCC1 ZINC000655595063 1017123792 /nfs/dbraw/zinc/12/37/92/1017123792.db2.gz RDFWTKRNIUBIGD-UHFFFAOYSA-N -1 0 337.375 3.594 20 0 EHADRM CC[C@H]1CCCN(C(=O)N=c2[n-]nc(-c3cc(F)ccc3C)s2)C1 ZINC000471340321 1017125467 /nfs/dbraw/zinc/12/54/67/1017125467.db2.gz KRRHETLJDZHXLS-LBPRGKRZSA-N -1 0 348.447 3.728 20 0 EHADRM CCC(CC)CS(=O)(=O)Nc1c(C)ccc(Cl)c1C(=O)[O-] ZINC000547881491 1017181161 /nfs/dbraw/zinc/18/11/61/1017181161.db2.gz HIIJTOPORQTTEV-UHFFFAOYSA-N -1 0 333.837 3.525 20 0 EHADRM CCc1cc(=O)c2cc(NC(=O)c3ccc(Cl)cc3[O-])ccc2[nH]1 ZINC000183309422 1017272316 /nfs/dbraw/zinc/27/23/16/1017272316.db2.gz ACAHGJGOLHOJDC-UHFFFAOYSA-N -1 0 342.782 3.702 20 0 EHADRM CC(C)[C@H](NC(=O)c1cc(F)c([O-])c(F)c1)c1nc2ccccc2[nH]1 ZINC000183403276 1017319330 /nfs/dbraw/zinc/31/93/30/1017319330.db2.gz YRWKGYPMNMKZTD-HNNXBMFYSA-N -1 0 345.349 3.674 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)c1cc(F)c([O-])c(F)c1)C(F)(F)F ZINC000183456964 1017334843 /nfs/dbraw/zinc/33/48/43/1017334843.db2.gz PSTCLQVYZDTVLO-JTQLQIEISA-N -1 0 325.277 3.767 20 0 EHADRM Cc1ccc([C@@H]([N-]S(=O)(=O)CCC(C)(C)C)C(F)(F)F)o1 ZINC000655660426 1017348193 /nfs/dbraw/zinc/34/81/93/1017348193.db2.gz YWYNDCFKXWRAJM-LLVKDONJSA-N -1 0 327.368 3.547 20 0 EHADRM CCN(C(=O)N[C@H](CC(=O)[O-])c1cc(Cl)cc(Cl)c1)C(C)C ZINC000547932476 1017393941 /nfs/dbraw/zinc/39/39/41/1017393941.db2.gz FQZTZNVXJBQLPV-CYBMUJFWSA-N -1 0 347.242 3.949 20 0 EHADRM CC(C)(C)c1nc(CN=c2[n-]nc(CC3CCCCC3)o2)cs1 ZINC000537406420 1032710289 /nfs/dbraw/zinc/71/02/89/1032710289.db2.gz DZTXPVWYKIGTSU-UHFFFAOYSA-N -1 0 334.489 3.980 20 0 EHADRM CC(=O)c1cccc([N-]S(=O)(=O)c2cccc3c(C)ccnc32)c1 ZINC000547956115 1017602399 /nfs/dbraw/zinc/60/23/99/1017602399.db2.gz YQRCFPAZTNBWMP-UHFFFAOYSA-N -1 0 340.404 3.547 20 0 EHADRM COc1cc(C(=O)O[C@H](C)c2ccc(Cl)cc2)cc(OC)c1O ZINC000754272747 1017732632 /nfs/dbraw/zinc/73/26/32/1017732632.db2.gz VNVJDXDIRVRNAC-SNVBAGLBSA-N -1 0 336.771 3.981 20 0 EHADRM Cc1ccc([C@@H](C)CNC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655869270 1017829702 /nfs/dbraw/zinc/82/97/02/1017829702.db2.gz BXMAMRJOFPUSEO-NXNVCVFFSA-N -1 0 346.471 3.533 20 0 EHADRM CC(C)[C@H](CNC(=O)N[C@@H](C)c1cc2ccccc2s1)C(=O)[O-] ZINC000655876882 1017843149 /nfs/dbraw/zinc/84/31/49/1017843149.db2.gz QPLAQJHMQFZDKR-AAEUAGOBSA-N -1 0 334.441 3.618 20 0 EHADRM CCN(C(=O)NC[C@@H](C(=O)[O-])C(C)C)[C@@H](C)c1cc2ccccc2o1 ZINC000655891423 1017859427 /nfs/dbraw/zinc/85/94/27/1017859427.db2.gz DKYRPLUXAUHQNO-DZGCQCFKSA-N -1 0 346.427 3.882 20 0 EHADRM C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)C(C)(C)C(=O)[O-])c2)C1 ZINC000584530535 1017893662 /nfs/dbraw/zinc/89/36/62/1017893662.db2.gz XCZZAKQBHOKHBP-CZUORRHYSA-N -1 0 333.428 3.831 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@]2(CC=CCC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655904574 1017894445 /nfs/dbraw/zinc/89/44/45/1017894445.db2.gz LATSZXMZGFAXQN-UIVXKWKOSA-N -1 0 348.487 3.654 20 0 EHADRM CC1(C)CCC(C)(C)N(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C1 ZINC001167322057 1018011437 /nfs/dbraw/zinc/01/14/37/1018011437.db2.gz VCWCBGJMKVDLQI-UHFFFAOYSA-N -1 0 345.418 3.758 20 0 EHADRM CC[C@@H](c1ccncc1)N(C)C(=O)c1cccc(Br)c1[O-] ZINC000606535470 1032741411 /nfs/dbraw/zinc/74/14/11/1032741411.db2.gz IJFWPLLBJMEFKJ-AWEZNQCLSA-N -1 0 349.228 3.773 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-][C@H](C(C)(C)C)C(F)(F)F)c(F)c1 ZINC000683709185 1018111635 /nfs/dbraw/zinc/11/16/35/1018111635.db2.gz YUTAAWCYKXKFGW-GFCCVEGCSA-N -1 0 341.370 3.531 20 0 EHADRM COc1cc(C)cc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)c1C ZINC000683728987 1018222739 /nfs/dbraw/zinc/22/27/39/1018222739.db2.gz QUNATUAQXSYGRK-HNNXBMFYSA-N -1 0 327.380 3.509 20 0 EHADRM CCCn1c(C)cc(C([O-])=CS(=O)(=O)c2ccc(C)c(C)c2)c1C ZINC000047650368 1018255948 /nfs/dbraw/zinc/25/59/48/1018255948.db2.gz YCEIQGPKRBAVOT-UHFFFAOYSA-N -1 0 347.480 3.788 20 0 EHADRM COc1ccc2c(c1)OC[C@@H]2CC(=O)Nc1cccc(Cl)c1[O-] ZINC000340536665 1018307997 /nfs/dbraw/zinc/30/79/97/1018307997.db2.gz MAABFSDSPZCVAG-JTQLQIEISA-N -1 0 333.771 3.559 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc(SC(F)F)cc2)CCCC1 ZINC000013255816 1018445529 /nfs/dbraw/zinc/44/55/29/1018445529.db2.gz YCLBGKGUNTXRKZ-UHFFFAOYSA-N -1 0 329.368 3.975 20 0 EHADRM O=S(=O)([N-]c1cccc(COC2CCCCC2)c1)c1ccco1 ZINC000275755284 1018524355 /nfs/dbraw/zinc/52/43/55/1018524355.db2.gz TXQYRTCIZYZCHB-UHFFFAOYSA-N -1 0 335.425 3.930 20 0 EHADRM Cc1noc2ncc([N-]S(=O)(=O)c3c(C)c(C)cc(C)c3C)cc12 ZINC000462106611 1018566547 /nfs/dbraw/zinc/56/65/47/1018566547.db2.gz XKNATZIJLJDLLR-UHFFFAOYSA-N -1 0 345.424 3.566 20 0 EHADRM CCCCCNC(=O)C(C#N)=C([O-])c1coc2cc(C)c(C)cc12 ZINC000187474014 1018591257 /nfs/dbraw/zinc/59/12/57/1018591257.db2.gz CERANXYMSPAORD-HNNXBMFYSA-N -1 0 326.396 3.679 20 0 EHADRM O=S(=O)([N-]c1cnc2ccccc2c1)c1cccc(C(F)F)c1 ZINC000780366757 1018619086 /nfs/dbraw/zinc/61/90/86/1018619086.db2.gz ITNYTDWAPDVZTR-UHFFFAOYSA-N -1 0 334.347 3.973 20 0 EHADRM Cn1cc(-c2nc(=O)c3sc(-c4cccc(Cl)c4)cc3[n-]2)cn1 ZINC000054757224 1032778485 /nfs/dbraw/zinc/77/84/85/1032778485.db2.gz PZRAHDUPTLJODE-UHFFFAOYSA-N -1 0 342.811 3.706 20 0 EHADRM CC[C@@H](C)n1ncc2c1nc(/C=C\c1conc1C)cc2C(=O)[O-] ZINC000580202869 1018780882 /nfs/dbraw/zinc/78/08/82/1018780882.db2.gz UCDCTWZNWJDQNB-WWQCOOJYSA-N -1 0 326.356 3.567 20 0 EHADRM COc1ccc(NC(=O)C[C@@H](C)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000576327746 1018792580 /nfs/dbraw/zinc/79/25/80/1018792580.db2.gz OTNIFNWMHRWZFH-CYBMUJFWSA-N -1 0 342.395 3.531 20 0 EHADRM CCCC[C@H](NC(=O)N[C@H](C)c1cccc2ccccc21)C(=O)[O-] ZINC000580231962 1018837633 /nfs/dbraw/zinc/83/76/33/1018837633.db2.gz RLONNEMCHXYCMJ-DYVFJYSZSA-N -1 0 328.412 3.843 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)[C@@]1(C)CC=C(C)CC1 ZINC000614386597 1018946297 /nfs/dbraw/zinc/94/62/97/1018946297.db2.gz GLAZNOSMGSIUIU-SFHVURJKSA-N -1 0 326.400 3.561 20 0 EHADRM O=C(C=Cc1ccccc1Cl)[N-]S(=O)(=O)Cc1ccccc1 ZINC000048594932 1018996472 /nfs/dbraw/zinc/99/64/72/1018996472.db2.gz QPXDACHGSDAJAW-KHPPLWFESA-N -1 0 335.812 3.840 20 0 EHADRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2n[nH]cc2SC)c1 ZINC000340636569 1019041257 /nfs/dbraw/zinc/04/12/57/1019041257.db2.gz QAQFMTGNWVWIOH-UHFFFAOYSA-N -1 0 345.877 3.538 20 0 EHADRM O=c1[nH]c(=O)c2ccc(Nc3cc(Cl)c([O-])c(Cl)c3)cc2[nH]1 ZINC001210929014 1019075696 /nfs/dbraw/zinc/07/56/96/1019075696.db2.gz QKWNWAAWMAVTGI-UHFFFAOYSA-N -1 0 338.150 3.797 20 0 EHADRM [S-]c1cccc(Nc2cnccc2I)c1 ZINC001210945822 1019102161 /nfs/dbraw/zinc/10/21/61/1019102161.db2.gz WJBLTNHVWBBMIE-UHFFFAOYSA-N -1 0 328.178 3.719 20 0 EHADRM Fc1cnc(Nc2cccc([S-])c2)c(I)c1 ZINC001210945787 1019102540 /nfs/dbraw/zinc/10/25/40/1019102540.db2.gz VAOXLCAMMNJWCV-UHFFFAOYSA-N -1 0 346.168 3.858 20 0 EHADRM Cc1nn(-c2ccc(F)cc2)c(C)c1CNc1cccc(C(=O)[O-])c1 ZINC000340671141 1019151767 /nfs/dbraw/zinc/15/17/67/1019151767.db2.gz JKJZKSJCVFCKDU-UHFFFAOYSA-N -1 0 339.370 3.939 20 0 EHADRM Cc1ncc(C(=O)Nc2c(O)cc(Br)cc2Cl)s1 ZINC000580355739 1019174503 /nfs/dbraw/zinc/17/45/03/1019174503.db2.gz ITFUSLXEQACDRR-UHFFFAOYSA-N -1 0 347.621 3.825 20 0 EHADRM COc1ccc(C(=O)[O-])cc1NCc1c(C)nn(C(C)(C)C)c1C ZINC000340682084 1019259186 /nfs/dbraw/zinc/25/91/86/1019259186.db2.gz RVENVZKOAGXXCJ-UHFFFAOYSA-N -1 0 331.416 3.574 20 0 EHADRM CC(C)(CC(=O)NCC(C)(C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000469084751 1019380539 /nfs/dbraw/zinc/38/05/39/1019380539.db2.gz UWWLSPSWHWAWFL-UHFFFAOYSA-N -1 0 345.361 3.600 20 0 EHADRM O=C([O-])CC1CCN(C(=O)CCc2c(Cl)cccc2Cl)CC1 ZINC000656232550 1019473050 /nfs/dbraw/zinc/47/30/50/1019473050.db2.gz FLTSWXXPTUXACW-UHFFFAOYSA-N -1 0 344.238 3.639 20 0 EHADRM Cc1c(NC(=O)CCCCC(=O)[O-])cccc1OCC(F)(F)F ZINC000263343643 1019502494 /nfs/dbraw/zinc/50/24/94/1019502494.db2.gz YITUAIXXLKLRTD-UHFFFAOYSA-N -1 0 333.306 3.520 20 0 EHADRM CCc1ccc(S(=O)(=O)Nc2ccc([C@H](C)CC(=O)[O-])cc2)cc1 ZINC000325674880 1032835318 /nfs/dbraw/zinc/83/53/18/1032835318.db2.gz MWZDABMYMGVNKU-CYBMUJFWSA-N -1 0 347.436 3.628 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N2CCC[C@@H]2CCc2ccccc2)CC1 ZINC000580555287 1019633259 /nfs/dbraw/zinc/63/32/59/1019633259.db2.gz LZKBOPSKDNGYMB-CTWPCTMYSA-N -1 0 343.467 3.891 20 0 EHADRM Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000433819562 1019661303 /nfs/dbraw/zinc/66/13/03/1019661303.db2.gz JVFQPRBDHANRCB-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM Cc1ccc(/C=C/S(=O)(=O)[N-]c2nnc(-c3ccco3)s2)cc1 ZINC000760318064 1032848037 /nfs/dbraw/zinc/84/80/37/1032848037.db2.gz QBFULKQHLKUYLZ-CSKARUKUSA-N -1 0 347.421 3.519 20 0 EHADRM CC[C@H](CC(=O)N(C)c1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000262886192 1019756760 /nfs/dbraw/zinc/75/67/60/1019756760.db2.gz CAEOOVLHBXUMIV-OAHLLOKOSA-N -1 0 341.407 3.697 20 0 EHADRM CO[C@H](C)c1nc(=N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)s[n-]1 ZINC000509927906 1019780662 /nfs/dbraw/zinc/78/06/62/1019780662.db2.gz QXSQOSOURIKDFE-VFWDIBGWSA-N -1 0 344.267 3.942 20 0 EHADRM Cc1cc(C)c(C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c(C)c1 ZINC000262967219 1019780930 /nfs/dbraw/zinc/78/09/30/1019780930.db2.gz SFQBFEBMJZUECY-MSOLQXFVSA-N -1 0 337.419 3.552 20 0 EHADRM CCC[C@H](CNC(=O)c1ccc(Cl)cc1SCC)C(=O)[O-] ZINC000263234387 1019847661 /nfs/dbraw/zinc/84/76/61/1019847661.db2.gz SLGMFTOEZRAXQM-SNVBAGLBSA-N -1 0 329.849 3.683 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2CCC[C@H]2c2cccc(Cl)c2)CC1 ZINC000375631446 1020014433 /nfs/dbraw/zinc/01/44/33/1020014433.db2.gz XCPUHQYEINXLNX-XEZPLFJOSA-N -1 0 335.831 3.895 20 0 EHADRM CCCC[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC000345206558 1020060067 /nfs/dbraw/zinc/06/00/67/1020060067.db2.gz GUQJKVPPLGBGHX-CYBMUJFWSA-N -1 0 335.400 3.927 20 0 EHADRM Fc1cccc2c1SCC[C@@H]2N=c1nc(C(F)(F)F)[n-]s1 ZINC000580908859 1020216212 /nfs/dbraw/zinc/21/62/12/1020216212.db2.gz IAVWFDANXGQSRR-QMMMGPOBSA-N -1 0 335.351 3.767 20 0 EHADRM CCCC(=O)Nc1cccc(NC(=O)CC(CC)(CC)C(=O)[O-])c1C ZINC000063640178 1020352381 /nfs/dbraw/zinc/35/23/81/1020352381.db2.gz PUCKUBDRTLDINE-UHFFFAOYSA-N -1 0 348.443 3.953 20 0 EHADRM Cc1ccc(C(F)(F)C(=O)Nc2ccc(-c3cc(=O)[nH][nH]3)cc2)cc1 ZINC000780369803 1020352413 /nfs/dbraw/zinc/35/24/13/1020352413.db2.gz XJUYKTQRYMVTLY-UHFFFAOYSA-N -1 0 343.333 3.821 20 0 EHADRM Cc1cc(C)n([C@H](C)CC(=O)Nc2cc(Cl)c([O-])cc2F)n1 ZINC000345612114 1020386351 /nfs/dbraw/zinc/38/63/51/1020386351.db2.gz SPXCYIWXSOULQM-SNVBAGLBSA-N -1 0 325.771 3.588 20 0 EHADRM Fc1cc(C(F)(F)F)c(F)cc1CN=c1[n-]nc(C2CC2)s1 ZINC000340842918 1020399055 /nfs/dbraw/zinc/39/90/55/1020399055.db2.gz AITPQVMTIJOYAU-UHFFFAOYSA-N -1 0 335.301 3.747 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCSc1ccccc1Cl ZINC000263504420 1020448638 /nfs/dbraw/zinc/44/86/38/1020448638.db2.gz LPTFPXLIJXWIPI-NWDGAFQWSA-N -1 0 341.860 3.534 20 0 EHADRM COCCCC[C@@H](N=c1[n-]nc(C(F)F)s1)c1ccccc1 ZINC000340862553 1020476242 /nfs/dbraw/zinc/47/62/42/1020476242.db2.gz VVTROGFTYYLIGA-GFCCVEGCSA-N -1 0 327.400 3.868 20 0 EHADRM COc1cc(NC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)ccc1C(=O)[O-] ZINC000261729009 1020486826 /nfs/dbraw/zinc/48/68/26/1020486826.db2.gz RNUJNZWKCMTIFR-CMPLNLGQSA-N -1 0 345.317 3.701 20 0 EHADRM C[C@@H]1CCC[C@H](N(C)C(=O)N=c2[n-]nc(-c3ccccc3)s2)C1 ZINC000548154899 1020495625 /nfs/dbraw/zinc/49/56/25/1020495625.db2.gz QKZVUTKAXOVUMT-OCCSQVGLSA-N -1 0 330.457 3.669 20 0 EHADRM COCCOc1cccc(-c2cc(F)cc(C3(C(=O)[O-])CC3)c2)c1 ZINC000581260860 1020600403 /nfs/dbraw/zinc/60/04/03/1020600403.db2.gz LOYHVTGIUWSRML-UHFFFAOYSA-N -1 0 330.355 3.634 20 0 EHADRM O=C([O-])c1ccc2c(c1)[C@@H](CNC(=O)C1CC3(CCC3)C1)CCC2 ZINC000656474774 1020689494 /nfs/dbraw/zinc/68/94/94/1020689494.db2.gz JIKMLJCMBUVBDI-OAHLLOKOSA-N -1 0 327.424 3.501 20 0 EHADRM C[C@](CC(=O)NC[C@@H]1CCC[C@H]2C[C@H]21)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000656486934 1020711203 /nfs/dbraw/zinc/71/12/03/1020711203.db2.gz TWIXLJARKCJHCX-QOFYIIDASA-N -1 0 349.858 3.625 20 0 EHADRM C[C@](CCF)(NC(=O)Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)[O-] ZINC000656504648 1020761467 /nfs/dbraw/zinc/76/14/67/1020761467.db2.gz GWFPMMHHWCQXOA-LJQANCHMSA-N -1 0 342.370 3.582 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc(C)c3ncccc23)c1F ZINC000313207087 1020764310 /nfs/dbraw/zinc/76/43/10/1020764310.db2.gz GKIHQDZMCBXMMF-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM Cc1cc2c[nH]nc2cc1NS(=O)(=O)c1ccc(C(F)F)cc1 ZINC000340991203 1020775232 /nfs/dbraw/zinc/77/52/32/1020775232.db2.gz ZTPUDBJBVRGQOA-UHFFFAOYSA-N -1 0 337.351 3.610 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)c1F ZINC000313223894 1020802334 /nfs/dbraw/zinc/80/23/34/1020802334.db2.gz TUHLLWYDMKRMRW-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM CN(C[C@@H](O)C1CC1)C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000089880252 1020821107 /nfs/dbraw/zinc/82/11/07/1020821107.db2.gz XMACLSRNXBISQQ-QGZVFWFLSA-N -1 0 345.826 3.556 20 0 EHADRM Cc1cc(Cl)c(NC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1Cl ZINC000389928390 1020881065 /nfs/dbraw/zinc/88/10/65/1020881065.db2.gz VGLUFNOMTPHYJP-UWVGGRQHSA-N -1 0 345.226 3.876 20 0 EHADRM CCc1onc(C)c1[N-]S(=O)(=O)c1cccc(O[C@@H](C)CC)c1 ZINC000656626102 1021060505 /nfs/dbraw/zinc/06/05/05/1021060505.db2.gz HZSWGKXLTFGLHV-NSHDSACASA-N -1 0 338.429 3.524 20 0 EHADRM CC(F)(F)c1ccccc1NS(=O)(=O)CCc1ccccc1F ZINC000656632452 1021063325 /nfs/dbraw/zinc/06/33/25/1021063325.db2.gz WIHJWFRFOXEDDD-UHFFFAOYSA-N -1 0 343.370 3.922 20 0 EHADRM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(F)F)nc2)cc1 ZINC000656634435 1021066867 /nfs/dbraw/zinc/06/68/67/1021066867.db2.gz YEXWBFPEYFPHJB-UHFFFAOYSA-N -1 0 326.368 3.943 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc2c(c1)CCOC2 ZINC000656645532 1021077795 /nfs/dbraw/zinc/07/77/95/1021077795.db2.gz PHRMFTIKJDNLBK-UHFFFAOYSA-N -1 0 337.828 3.522 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(Cl)cc(Br)c2[O-])C[C@@H]1C ZINC000439116563 1021161667 /nfs/dbraw/zinc/16/16/67/1021161667.db2.gz PNKNMTVQBBWTOT-YUMQZZPRSA-N -1 0 332.625 3.536 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)C(=O)c1ccc(Cl)s1 ZINC000760441787 1032958604 /nfs/dbraw/zinc/95/86/04/1032958604.db2.gz FRHYBXSKGDUWRR-UHFFFAOYSA-N -1 0 338.797 3.653 20 0 EHADRM Cc1cc(C(=O)Nc2cc(Cl)c([O-])cc2F)nn1[C@@H](C)C1CC1 ZINC000436765048 1021210652 /nfs/dbraw/zinc/21/06/52/1021210652.db2.gz AOILEGPJHFCUDJ-VIFPVBQESA-N -1 0 337.782 3.913 20 0 EHADRM Cc1sc(/C=C\c2ccc(O)c(Br)c2)nc1C(=O)[O-] ZINC000436782895 1021223113 /nfs/dbraw/zinc/22/31/13/1021223113.db2.gz JQEMRXKPRKQQQX-HYXAFXHYSA-N -1 0 340.198 3.788 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nnc(CCC(C)C)s2)sc1C ZINC000656736893 1021225091 /nfs/dbraw/zinc/22/50/91/1021225091.db2.gz SVFVGHSQOGNDGX-UHFFFAOYSA-N -1 0 345.515 3.606 20 0 EHADRM Cc1cnc(C(=O)Nc2cccc(COC(C)(C)C)c2C)c([O-])c1 ZINC000427237970 1021245921 /nfs/dbraw/zinc/24/59/21/1021245921.db2.gz GVIGIGIMXAKTED-UHFFFAOYSA-N -1 0 328.412 3.971 20 0 EHADRM O=C(N=c1nc(-c2ccccc2)[n-]s1)c1cccc(C(F)(F)F)c1 ZINC000507419665 1021251386 /nfs/dbraw/zinc/25/13/86/1021251386.db2.gz ZGUXLHBZNKHLSU-UHFFFAOYSA-N -1 0 349.337 3.898 20 0 EHADRM CC[C@@]1(C)CCN(C(=O)c2cc(F)cc(Br)c2[O-])C1 ZINC000436859213 1021295367 /nfs/dbraw/zinc/29/53/67/1021295367.db2.gz RZAHAJDEOJZVAD-AWEZNQCLSA-N -1 0 330.197 3.556 20 0 EHADRM CCC[C@H](Cc1ccccc1)N(CCC)C(=O)[C@H]1CC[C@@H]1C(=O)[O-] ZINC000507426989 1021260645 /nfs/dbraw/zinc/26/06/45/1021260645.db2.gz WAAWSQFLENLZPP-SQNIBIBYSA-N -1 0 331.456 3.747 20 0 EHADRM O=C(c1cc(F)cc(Br)c1[O-])N1C[C@H]2CCCC[C@@H]2C1 ZINC000436846678 1021290812 /nfs/dbraw/zinc/29/08/12/1021290812.db2.gz CLBMXDQZPZAAKC-NXEZZACHSA-N -1 0 342.208 3.556 20 0 EHADRM CC(C)C1CCN(C(=O)c2cc(F)cc(Br)c2[O-])CC1 ZINC000436860794 1021298386 /nfs/dbraw/zinc/29/83/86/1021298386.db2.gz YJAMXAXNIJMHLD-UHFFFAOYSA-N -1 0 344.224 3.802 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cnc(-c3ccccc3)s2)c1 ZINC000436866838 1021306804 /nfs/dbraw/zinc/30/68/04/1021306804.db2.gz AHCJPSJJBFGJIP-UHFFFAOYSA-N -1 0 338.388 3.971 20 0 EHADRM COc1cc(/C=C\c2nc3ccc(C(=O)[O-])cc3o2)cc(OC)c1 ZINC000439270881 1021307005 /nfs/dbraw/zinc/30/70/05/1021307005.db2.gz IKDUAZCXNAUVIV-UTCJRWHESA-N -1 0 325.320 3.714 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)COc2ccc3ccccc3c2)c1 ZINC000436869214 1021308697 /nfs/dbraw/zinc/30/86/97/1021308697.db2.gz JMOOHEHLWWTLFW-UHFFFAOYSA-N -1 0 335.359 3.766 20 0 EHADRM CC1(C)CCCN(C(=O)c2cc(F)cc(Br)c2[O-])CC1 ZINC000436858296 1021323240 /nfs/dbraw/zinc/32/32/40/1021323240.db2.gz NMEPHHIILAWNQX-UHFFFAOYSA-N -1 0 344.224 3.946 20 0 EHADRM Cc1ccc(C[C@H](Sc2nnc(C(C)(C)C)s2)C(=O)[O-])cc1 ZINC000656782254 1021321530 /nfs/dbraw/zinc/32/15/30/1021321530.db2.gz QWOOEXLPQPRQAV-LBPRGKRZSA-N -1 0 336.482 3.932 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)c1 ZINC000436877386 1021327511 /nfs/dbraw/zinc/32/75/11/1021327511.db2.gz OUHAJZISLQAFJX-KGLIPLIRSA-N -1 0 331.318 3.615 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000436902496 1021345767 /nfs/dbraw/zinc/34/57/67/1021345767.db2.gz UFEMRJKXBHBZKN-LBPRGKRZSA-N -1 0 349.789 3.868 20 0 EHADRM O=C(Nc1nccn1Cc1ccccc1)c1cc(F)c([O-])c(Cl)c1 ZINC000436931215 1021365914 /nfs/dbraw/zinc/36/59/14/1021365914.db2.gz IVZFJATUPOZNMR-UHFFFAOYSA-N -1 0 345.761 3.682 20 0 EHADRM CCCc1c(NC(=O)c2c([O-])cccc2F)cnn1-c1ccccc1 ZINC000436918128 1021374773 /nfs/dbraw/zinc/37/47/73/1021374773.db2.gz GOOJCOYOKRFQHT-UHFFFAOYSA-N -1 0 339.370 3.922 20 0 EHADRM O=C(N[C@H]1CC[C@H](c2cccc(F)c2)C1)c1cc(F)c([O-])c(F)c1 ZINC000436922625 1021379247 /nfs/dbraw/zinc/37/92/47/1021379247.db2.gz OVVCJVSEEGAVRV-FZMZJTMJSA-N -1 0 335.325 3.876 20 0 EHADRM Cc1ccc(CC[C@H](C)NC(=O)c2cc(F)c([O-])c(Cl)c2)o1 ZINC000436925030 1021383461 /nfs/dbraw/zinc/38/34/61/1021383461.db2.gz YXJQFAJRFKEUIG-VIFPVBQESA-N -1 0 325.767 3.837 20 0 EHADRM O=C(NC[C@@H]1COc2ccccc21)c1c([O-])cc(Cl)cc1Cl ZINC000436928061 1021385819 /nfs/dbraw/zinc/38/58/19/1021385819.db2.gz RIQCLQWGFBSWPP-SECBINFHSA-N -1 0 338.190 3.605 20 0 EHADRM O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)c1ccccc1O ZINC000436932466 1021393784 /nfs/dbraw/zinc/39/37/84/1021393784.db2.gz CMANZHYURBZZTL-UHFFFAOYSA-N -1 0 349.774 3.956 20 0 EHADRM Cc1c(CNC(=O)CC2CCC(C(=O)[O-])CC2)oc2ccc(F)cc12 ZINC000581669423 1021399171 /nfs/dbraw/zinc/39/91/71/1021399171.db2.gz RLXXCEWBFFBAPZ-UHFFFAOYSA-N -1 0 347.386 3.778 20 0 EHADRM CCOc1ccc(CN(C(=O)c2c([O-])cccc2F)C(C)C)cc1 ZINC000436942891 1021403693 /nfs/dbraw/zinc/40/36/93/1021403693.db2.gz ILDMYAUUUPOSOS-UHFFFAOYSA-N -1 0 331.387 3.981 20 0 EHADRM CN(C)c1nc2ccc(NC(=O)c3cc(F)c([O-])c(Cl)c3)cc2o1 ZINC000436946702 1021407413 /nfs/dbraw/zinc/40/74/13/1021407413.db2.gz WYDJLWMDLFSNMX-UHFFFAOYSA-N -1 0 349.749 3.644 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc(Br)cc(Cl)c2[O-])C[C@H]1C ZINC000436960725 1021410775 /nfs/dbraw/zinc/41/07/75/1021410775.db2.gz HVXJSBHVBOTFML-RKDXNWHRSA-N -1 0 346.652 3.926 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000436967983 1021414413 /nfs/dbraw/zinc/41/44/13/1021414413.db2.gz RWMHNGOEMMOSOT-WHLNPGIBSA-N -1 0 329.346 3.988 20 0 EHADRM Cc1cc(CCc2ccc(OCC(=O)[O-])cc2)nc2sccc21 ZINC000427480127 1021431395 /nfs/dbraw/zinc/43/13/95/1021431395.db2.gz OEOSMUDZZADBGF-UHFFFAOYSA-N -1 0 327.405 3.853 20 0 EHADRM C[C@@H](Oc1cccc(-c2ccccc2OC[C@H]2CCOC2)c1)C(=O)[O-] ZINC000581677650 1021450230 /nfs/dbraw/zinc/45/02/30/1021450230.db2.gz IIKQXMWUTJEHQK-CABCVRRESA-N -1 0 342.391 3.621 20 0 EHADRM Cc1ccc([C@H]2CCN(C(=O)c3cc(F)c([O-])c(F)c3)C2)c(C)c1 ZINC000436998301 1021452820 /nfs/dbraw/zinc/45/28/20/1021452820.db2.gz ITPXEJDXDLLCSA-ZDUSSCGKSA-N -1 0 331.362 3.917 20 0 EHADRM CN(C(=O)c1ccc(Br)cc1[O-])c1ccc2cc[nH]c2c1 ZINC000436996940 1021453528 /nfs/dbraw/zinc/45/35/28/1021453528.db2.gz HNRFESIQBMWVBJ-UHFFFAOYSA-N -1 0 345.196 3.913 20 0 EHADRM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000436997543 1021455622 /nfs/dbraw/zinc/45/56/22/1021455622.db2.gz GJHMSCFQTUVCDK-NOZJJQNGSA-N -1 0 344.224 3.945 20 0 EHADRM C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436999115 1021469802 /nfs/dbraw/zinc/46/98/02/1021469802.db2.gz IZPSLBXKWSTYGM-RCOVLWMOSA-N -1 0 325.689 3.598 20 0 EHADRM CCCCN(C(=O)c1cc(F)cc(Br)c1[O-])C1CC1 ZINC000437000434 1021471447 /nfs/dbraw/zinc/47/14/47/1021471447.db2.gz MAXZCVLXBNIOON-UHFFFAOYSA-N -1 0 330.197 3.699 20 0 EHADRM O=C(Nc1ccccc1F)c1cc(F)cc(Br)c1[O-] ZINC000437001983 1021472964 /nfs/dbraw/zinc/47/29/64/1021472964.db2.gz QAGAPDZMTGDQMF-UHFFFAOYSA-N -1 0 328.112 3.685 20 0 EHADRM Cc1ccccc1[C@H]1C[C@H](NC(=O)N=c2nc(C(C)(C)C)[n-]s2)C1 ZINC000439507604 1021495988 /nfs/dbraw/zinc/49/59/88/1021495988.db2.gz UWESZFMGXNVOQK-JOCQHMNTSA-N -1 0 344.484 3.634 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2csc3ccccc32)c(OC)c1 ZINC000506596864 1021511499 /nfs/dbraw/zinc/51/14/99/1021511499.db2.gz VTIKPOJRYVKHER-UHFFFAOYSA-N -1 0 349.433 3.719 20 0 EHADRM O=C(NC1CC(c2ccc(F)c(Cl)c2)C1)c1c(O)cccc1O ZINC000439561720 1021559336 /nfs/dbraw/zinc/55/93/36/1021559336.db2.gz IYFNTDHNCZLCRI-UHFFFAOYSA-N -1 0 335.762 3.566 20 0 EHADRM COc1cccc(NC(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c1 ZINC000519680327 1021605673 /nfs/dbraw/zinc/60/56/73/1021605673.db2.gz GKFVGUPVHUPHQT-RHSMWYFYSA-N -1 0 346.427 3.583 20 0 EHADRM CCc1ccc(S(=O)(=O)C(C)=C([O-])c2cc(C)ccc2C)cc1 ZINC000518824599 1021606382 /nfs/dbraw/zinc/60/63/82/1021606382.db2.gz FUEDXZUTTVCUOX-OAHLLOKOSA-N -1 0 330.449 3.911 20 0 EHADRM CCCCCc1nnc([N-]S(=O)(=O)c2ccc(CC)cc2)s1 ZINC000437162676 1021619039 /nfs/dbraw/zinc/61/90/39/1021619039.db2.gz CDGPWZBIQKRQTN-UHFFFAOYSA-N -1 0 339.486 3.634 20 0 EHADRM CC[C@@H](F)CSc1n[n-]c(=Nc2cccc(NC(C)=O)c2)s1 ZINC000440575521 1021628594 /nfs/dbraw/zinc/62/85/94/1021628594.db2.gz KMAUEZOIGWKGAO-SNVBAGLBSA-N -1 0 340.449 3.502 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1ccccc1NC(C)(C)C ZINC000276543501 1021696652 /nfs/dbraw/zinc/69/66/52/1021696652.db2.gz JIHYLPYMQUFEGM-UHFFFAOYSA-N -1 0 340.470 3.768 20 0 EHADRM CC(C)=CCNC(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000439780120 1021705280 /nfs/dbraw/zinc/70/52/80/1021705280.db2.gz GHZDCHAFJWIVNE-UHFFFAOYSA-N -1 0 345.420 3.966 20 0 EHADRM COCCc1nc(=N[C@H]2CC(C)(C)CCc3ccccc32)s[n-]1 ZINC000440658321 1021705958 /nfs/dbraw/zinc/70/59/58/1021705958.db2.gz ZFNWMSKRZNISQL-HNNXBMFYSA-N -1 0 331.485 3.665 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ncc(C(C)(C)C)s2)cc(C)c1F ZINC000437332698 1021742964 /nfs/dbraw/zinc/74/29/64/1021742964.db2.gz KRWVCAMEHCVFGR-UHFFFAOYSA-N -1 0 342.461 3.997 20 0 EHADRM CCSc1ccc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1 ZINC000439894967 1021810496 /nfs/dbraw/zinc/81/04/96/1021810496.db2.gz OYLTXOBMZMWPTA-BMFZPTHFSA-N -1 0 333.453 3.657 20 0 EHADRM O=C([O-])c1cccc(NCc2cccc(OCC(F)(F)F)c2)c1 ZINC000519075396 1021815824 /nfs/dbraw/zinc/81/58/24/1021815824.db2.gz WDHXITUBFARMMZ-UHFFFAOYSA-N -1 0 325.286 3.938 20 0 EHADRM CCSc1ccc(C(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])cc1 ZINC000439935731 1021845870 /nfs/dbraw/zinc/84/58/70/1021845870.db2.gz UNTXWNCTBHIFAH-HOTGVXAUSA-N -1 0 335.469 3.952 20 0 EHADRM CCc1nnc(-c2cccc(NC(=O)c3ccc([O-])c(Cl)c3)c2)o1 ZINC000440895593 1021854621 /nfs/dbraw/zinc/85/46/21/1021854621.db2.gz PNRZSMQCOASWLD-UHFFFAOYSA-N -1 0 343.770 3.910 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)N(CC(=O)[O-])CC(C)C)c1 ZINC000516948331 1021881955 /nfs/dbraw/zinc/88/19/55/1021881955.db2.gz TYIVGWYKCZWZOY-UHFFFAOYSA-N -1 0 336.432 3.686 20 0 EHADRM CC[C@](C)(O)CN(Cc1ccccc1)C(=O)c1cc(Cl)ccc1O ZINC000440027138 1021908354 /nfs/dbraw/zinc/90/83/54/1021908354.db2.gz JTTKKYMMFHLFRM-IBGZPJMESA-N -1 0 347.842 3.849 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N(C)[C@H](CC)Cc2ccc(C)cc2)s1 ZINC000437554303 1021938599 /nfs/dbraw/zinc/93/85/99/1021938599.db2.gz CLKHSZQOKFMIJI-OAHLLOKOSA-N -1 0 346.500 3.706 20 0 EHADRM O=C(N=c1nc(Cc2ccccc2)[n-]s1)C1(Cc2ccccc2)CC1 ZINC000437546474 1021947315 /nfs/dbraw/zinc/94/73/15/1021947315.db2.gz KHANRUUIEVAAIG-UHFFFAOYSA-N -1 0 349.459 3.512 20 0 EHADRM CCc1ccc(C(=O)N2CCC[C@H]2CC(=O)c2cccs2)c(O)c1 ZINC000188270397 1021979175 /nfs/dbraw/zinc/97/91/75/1021979175.db2.gz KPXQIBVDSPAJDX-AWEZNQCLSA-N -1 0 343.448 3.894 20 0 EHADRM COC[C@@H](C)Nc1ccccc1NC(=O)c1cc(Cl)ccc1[O-] ZINC000437606902 1021990948 /nfs/dbraw/zinc/99/09/48/1021990948.db2.gz RHYKXLBQMPHBPT-LLVKDONJSA-N -1 0 334.803 3.745 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)cc(C(F)(F)F)c1)c1ccco1 ZINC000437657401 1022032619 /nfs/dbraw/zinc/03/26/19/1022032619.db2.gz QVGUJMANKRDZEN-UHFFFAOYSA-N -1 0 325.695 3.753 20 0 EHADRM COc1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccco2)cc1 ZINC000437671215 1022044287 /nfs/dbraw/zinc/04/42/87/1022044287.db2.gz SCCOYHWEWBMZBB-UHFFFAOYSA-N -1 0 345.376 3.881 20 0 EHADRM CCn1cc([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)cn1 ZINC000440307616 1022079376 /nfs/dbraw/zinc/07/93/76/1022079376.db2.gz YIYSMGDAKVOSOR-UHFFFAOYSA-N -1 0 335.816 3.510 20 0 EHADRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(-c2ccccc2)cn1 ZINC000520285638 1022099428 /nfs/dbraw/zinc/09/94/28/1022099428.db2.gz VGNWISFRAXJJCH-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CCC[C@@H]1c1ccncc1 ZINC000574337836 1033029062 /nfs/dbraw/zinc/02/90/62/1033029062.db2.gz YFFJEEHWZJDZSF-CQSZACIVSA-N -1 0 336.313 3.783 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)[C@H]1CCCc2ccccc21 ZINC000440404172 1022169781 /nfs/dbraw/zinc/16/97/81/1022169781.db2.gz HQCBRRIVPHHDIQ-SFHVURJKSA-N -1 0 329.403 3.624 20 0 EHADRM Cc1ccccc1SCC(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000440406978 1022170106 /nfs/dbraw/zinc/17/01/06/1022170106.db2.gz SEXDTSPAKLTTTE-UHFFFAOYSA-N -1 0 335.432 3.605 20 0 EHADRM O=C(N[C@H]1C[C@H]1c1c(F)cccc1Cl)c1c([O-])cc(F)cc1F ZINC000607191220 1033035349 /nfs/dbraw/zinc/03/53/49/1033035349.db2.gz ZJOSIEYRBMCLEH-PELKAZGASA-N -1 0 341.716 3.749 20 0 EHADRM COc1cccc(OC)c1S(=O)(=O)[N-]c1cccc(C2CCC2)c1 ZINC000291224392 1022219147 /nfs/dbraw/zinc/21/91/47/1022219147.db2.gz WJRJLSNOSAHNAV-UHFFFAOYSA-N -1 0 347.436 3.772 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N(Cc2ccco2)C2CCCC2)CC1 ZINC000519543170 1022313681 /nfs/dbraw/zinc/31/36/81/1022313681.db2.gz MLBGQGRZELNZEU-UHFFFAOYSA-N -1 0 333.428 3.832 20 0 EHADRM CC(C)=CCC[C@@H](C)CC(=O)N=c1nc(C2CCOCC2)[n-]s1 ZINC000629105370 1022332884 /nfs/dbraw/zinc/33/28/84/1022332884.db2.gz TWUPPJZEUPKJSM-CYBMUJFWSA-N -1 0 337.489 3.565 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccccn2)s1)c1cc2sccc2s1 ZINC000517452993 1022350642 /nfs/dbraw/zinc/35/06/42/1022350642.db2.gz RSAYRETWURHOPN-UHFFFAOYSA-N -1 0 344.446 3.551 20 0 EHADRM Cc1nc(CNCc2cc(Cl)ccc2Cl)ccc1C(=O)[O-] ZINC000426659140 1022464729 /nfs/dbraw/zinc/46/47/29/1022464729.db2.gz BRWKKKKDXKFUIL-UHFFFAOYSA-N -1 0 325.195 3.685 20 0 EHADRM Cc1ccc2oc(C(=O)Nc3cccc(-c4nc(=O)o[n-]4)c3)cc2c1 ZINC000057885136 1022491084 /nfs/dbraw/zinc/49/10/84/1022491084.db2.gz JSYNISBHKJWWGN-UHFFFAOYSA-N -1 0 335.319 3.749 20 0 EHADRM C[C@@H](N=c1nc(-c2ccccc2)[n-]s1)c1nccn1-c1ccccc1 ZINC000517613915 1022500913 /nfs/dbraw/zinc/50/09/13/1022500913.db2.gz WHKCFJYYWXPYOB-CQSZACIVSA-N -1 0 347.447 3.986 20 0 EHADRM C[C@H](CCc1ccccc1)Sc1n[n-]c(=NC[C@@H]2CCCO2)s1 ZINC000614513561 1022512874 /nfs/dbraw/zinc/51/28/74/1022512874.db2.gz SWJGRQZDDKPPJO-HIFRSBDPSA-N -1 0 349.525 3.664 20 0 EHADRM Cc1ccc(CSc2nc(=O)cc([O-])n2C2CCCC2)cc1F ZINC000629125147 1022517175 /nfs/dbraw/zinc/51/71/75/1022517175.db2.gz QISDSPQXKUEZNS-UHFFFAOYSA-N -1 0 334.416 3.804 20 0 EHADRM Fc1cccc(F)c1C1(CN=c2[n-]nc(C(F)F)o2)CCCC1 ZINC000517662610 1022542242 /nfs/dbraw/zinc/54/22/42/1022542242.db2.gz JAMXNIOLZWNUFQ-UHFFFAOYSA-N -1 0 329.297 3.631 20 0 EHADRM O=C(Nc1ccc(NC2CCOCC2)cc1)c1ccc(Cl)cc1[O-] ZINC000101682548 1022646925 /nfs/dbraw/zinc/64/69/25/1022646925.db2.gz VRSGFMXXSPWSIP-UHFFFAOYSA-N -1 0 346.814 3.889 20 0 EHADRM CCc1cccc(C(=O)N(C)[C@H](c2ncc[nH]2)c2ccccc2)c1O ZINC000517768469 1022648982 /nfs/dbraw/zinc/64/89/82/1022648982.db2.gz JXWZPZLNSXRXEQ-KRWDZBQOSA-N -1 0 335.407 3.539 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nc3c(s2)CCCC3)sc1Cl ZINC000473761926 1022681098 /nfs/dbraw/zinc/68/10/98/1022681098.db2.gz OLEWZTLCHBIGQK-UHFFFAOYSA-N -1 0 348.902 3.846 20 0 EHADRM Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000330862254 1022689209 /nfs/dbraw/zinc/68/92/09/1022689209.db2.gz MEIQGRHPAXJMDL-ZETCQYMHSA-N -1 0 342.226 3.792 20 0 EHADRM CC(C)c1nn(C)cc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000331094063 1022739382 /nfs/dbraw/zinc/73/93/82/1022739382.db2.gz ZZJSRAONEKJJNX-UHFFFAOYSA-N -1 0 341.502 3.703 20 0 EHADRM C[C@H]1CC[C@@H](CSc2n[n-]c(=Nc3cccc(F)c3)s2)O1 ZINC000473781275 1022756121 /nfs/dbraw/zinc/75/61/21/1022756121.db2.gz XSRPVOLSQMUQQQ-CABZTGNLSA-N -1 0 325.434 3.502 20 0 EHADRM CCC[C@@H](C(=O)[O-])[S@@](=O)Cc1ccccc1OCc1ccccc1 ZINC000593931902 1033077988 /nfs/dbraw/zinc/07/79/88/1033077988.db2.gz PGIWMBHTMWGWBS-UUOWRZLLSA-N -1 0 346.448 3.768 20 0 EHADRM CN(CCOCC1CC1)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000088461903 1022773130 /nfs/dbraw/zinc/77/31/30/1022773130.db2.gz FHDGTOZNHGPUCF-UHFFFAOYSA-N -1 0 333.815 3.697 20 0 EHADRM CC(C)(C)c1nnsc1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000331233610 1022777013 /nfs/dbraw/zinc/77/70/13/1022777013.db2.gz KBZCIOAXRIOWBX-UHFFFAOYSA-N -1 0 329.784 3.586 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]c1ccccc1Oc1ccncc1 ZINC000111995606 1022784407 /nfs/dbraw/zinc/78/44/07/1022784407.db2.gz SCTVUYLAMYXNHX-UHFFFAOYSA-N -1 0 340.404 3.983 20 0 EHADRM Clc1ccccc1[C@H]1C[C@H](N=c2[n-]nc(C3CCOCC3)s2)C1 ZINC000517895304 1022819406 /nfs/dbraw/zinc/81/94/06/1022819406.db2.gz YFXAWMVVWFHXJO-JOCQHMNTSA-N -1 0 349.887 3.866 20 0 EHADRM Cc1cccc(C)c1OC[C@@H](C)N=c1[n-]nc(-c2ccccn2)s1 ZINC000520450311 1022833407 /nfs/dbraw/zinc/83/34/07/1022833407.db2.gz LGNFQXAZBZEVRQ-CQSZACIVSA-N -1 0 340.452 3.518 20 0 EHADRM O=S(=O)([N-][C@@H]1CCCc2sccc21)c1c(F)cc(F)cc1F ZINC000341658746 1022891751 /nfs/dbraw/zinc/89/17/51/1022891751.db2.gz WUQIGDXANSHXGB-GFCCVEGCSA-N -1 0 347.383 3.521 20 0 EHADRM CCCc1occc1C(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000409939732 1022903367 /nfs/dbraw/zinc/90/33/67/1022903367.db2.gz SWNQURATNHNKNF-UHFFFAOYSA-N -1 0 333.438 3.795 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)N2CCC[C@@H]2C(C)C)s[n-]1 ZINC000473829046 1022903972 /nfs/dbraw/zinc/90/39/72/1022903972.db2.gz ZFDLLVMHXYRGII-LLVKDONJSA-N -1 0 336.486 3.649 20 0 EHADRM CCN(C(=O)N=c1nc(-c2sccc2C)[n-]s1)[C@@H](C)C(C)C ZINC000473841890 1022934628 /nfs/dbraw/zinc/93/46/28/1022934628.db2.gz JTYXJVVGPGSXEG-NSHDSACASA-N -1 0 338.502 3.895 20 0 EHADRM O=C([O-])[C@H](CC1CC1)NC(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000262097479 1022947107 /nfs/dbraw/zinc/94/71/07/1022947107.db2.gz BVFKCJRZGWCIML-KRWDZBQOSA-N -1 0 345.345 3.615 20 0 EHADRM CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000518061442 1022963715 /nfs/dbraw/zinc/96/37/15/1022963715.db2.gz DIBBVNCTDPGZJK-UHFFFAOYSA-N -1 0 347.415 3.695 20 0 EHADRM O=C([O-])[C@@H](NCc1cc(F)cc(Cl)c1)c1c(F)cccc1F ZINC000426737632 1023005867 /nfs/dbraw/zinc/00/58/67/1023005867.db2.gz OVOLWMDANMCOQO-AWEZNQCLSA-N -1 0 329.705 3.673 20 0 EHADRM CC(C)COc1ccc(CN[C@H](C(=O)[O-])c2c(F)cccc2F)cc1 ZINC000426736880 1023007091 /nfs/dbraw/zinc/00/70/91/1023007091.db2.gz KWUKUXMKYQSDIR-SFHVURJKSA-N -1 0 349.377 3.915 20 0 EHADRM O=C([O-])[C@H](NCc1ccc(C(F)(F)F)cc1)c1c(F)cccc1F ZINC000426741092 1023009225 /nfs/dbraw/zinc/00/92/25/1023009225.db2.gz JSLHPKYJRUNMLQ-CQSZACIVSA-N -1 0 345.267 3.899 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2cn[nH]c2)c(Cl)c1 ZINC000438806377 1023017934 /nfs/dbraw/zinc/01/79/34/1023017934.db2.gz AUGXIJOALYBDHO-UHFFFAOYSA-N -1 0 347.827 3.839 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@@H](C)c2cccc(OC(F)(F)F)c2)s[n-]1 ZINC000509547042 1023024903 /nfs/dbraw/zinc/02/49/03/1023024903.db2.gz YFCUOTMYPZZYEE-IUCAKERBSA-N -1 0 347.362 3.739 20 0 EHADRM Cc1nc(C)c(CN[C@@H](C(=O)[O-])c2c(Cl)cccc2Cl)s1 ZINC000426759907 1023029410 /nfs/dbraw/zinc/02/94/10/1023029410.db2.gz YIFOHFUNRICGFG-CYBMUJFWSA-N -1 0 345.251 3.982 20 0 EHADRM Cc1ccc(-c2ncc(CN[C@@H](C(=O)[O-])c3cccs3)s2)o1 ZINC000426784278 1023042669 /nfs/dbraw/zinc/04/26/69/1023042669.db2.gz MEGDPWDYAOHDEK-CYBMUJFWSA-N -1 0 334.422 3.689 20 0 EHADRM O=C([O-])[C@@H](NCc1cnc(-c2ccsc2)s1)c1ccsc1 ZINC000426795710 1023052501 /nfs/dbraw/zinc/05/25/01/1023052501.db2.gz ZDCQVBXOZOVFFL-LBPRGKRZSA-N -1 0 336.463 3.849 20 0 EHADRM CC(C)c1ccccc1N(C)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000426180207 1023054103 /nfs/dbraw/zinc/05/41/03/1023054103.db2.gz XTGXVAZKYUSYOC-UHFFFAOYSA-N -1 0 335.407 3.978 20 0 EHADRM CC[C@H](C)Oc1cc(C)ccc1CN=c1nc([C@H](C)OC)[n-]s1 ZINC000509564525 1023064518 /nfs/dbraw/zinc/06/45/18/1023064518.db2.gz SSOZUDCGOKQRJC-STQMWFEESA-N -1 0 335.473 3.765 20 0 EHADRM CCCSC[C@H](NCc1ccc(-c2ccccc2F)o1)C(=O)[O-] ZINC000426817873 1023065649 /nfs/dbraw/zinc/06/56/49/1023065649.db2.gz CSYYQMQJVNZIJC-HNNXBMFYSA-N -1 0 337.416 3.772 20 0 EHADRM C[C@H]1C[C@H](C)N1Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000548424395 1023085489 /nfs/dbraw/zinc/08/54/89/1023085489.db2.gz DHTYYDOTYYCEQP-QWRGUYRKSA-N -1 0 343.427 3.773 20 0 EHADRM CCCn1ccc2cc([N-]S(=O)(=O)c3ccc(Cl)nc3)ccc21 ZINC000065069891 1023115677 /nfs/dbraw/zinc/11/56/77/1023115677.db2.gz GONNSXGMNSXAGH-UHFFFAOYSA-N -1 0 349.843 3.901 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N(C)[C@@H]2CCC[C@@H](C)C2)n1 ZINC000438989100 1023194885 /nfs/dbraw/zinc/19/48/85/1023194885.db2.gz DXMZOTCVZVIXSQ-GDBMZVCRSA-N -1 0 341.455 3.791 20 0 EHADRM O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)c1ncccc1[O-] ZINC000427070945 1023198877 /nfs/dbraw/zinc/19/88/77/1023198877.db2.gz AHEWRWVZXBDJJQ-UHFFFAOYSA-N -1 0 326.302 3.985 20 0 EHADRM CC[C@H](N=c1nc(C(F)(F)F)[n-]s1)c1ccc(OC)c(OC)c1 ZINC000343293135 1023229977 /nfs/dbraw/zinc/22/99/77/1023229977.db2.gz UVBGXQHHVGZKHB-VIFPVBQESA-N -1 0 347.362 3.559 20 0 EHADRM CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000507282811 1023230151 /nfs/dbraw/zinc/23/01/51/1023230151.db2.gz JVPSHGIZLZSXRL-UPJWGTAASA-N -1 0 344.238 3.542 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1ccccc1Nc1c(F)cccc1F ZINC000507311122 1023238241 /nfs/dbraw/zinc/23/82/41/1023238241.db2.gz YASVJFQBPMQHOH-WDEREUQCSA-N -1 0 346.333 3.758 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1ccc(-c2ccc(F)cc2)cc1 ZINC000507320373 1023249254 /nfs/dbraw/zinc/24/92/54/1023249254.db2.gz SUJHTNWWVHZVGZ-JBBXEZCESA-N -1 0 341.382 3.781 20 0 EHADRM C[C@@H](Sc1ccccc1)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000346024932 1023280202 /nfs/dbraw/zinc/28/02/02/1023280202.db2.gz JTTSGRQBPFMGTD-PBHICJAKSA-N -1 0 343.448 3.890 20 0 EHADRM O=C(N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)c1cccc(F)c1[O-] ZINC001125550301 1023283347 /nfs/dbraw/zinc/28/33/47/1023283347.db2.gz MCDPOZSSWDMVFU-SMDDNHRTSA-N -1 0 339.288 3.836 20 0 EHADRM CC(C)CCC1CCN(C(=O)N=c2ccc(C(F)(F)F)n[n-]2)CC1 ZINC000471928679 1023290291 /nfs/dbraw/zinc/29/02/91/1023290291.db2.gz BBZCPOVCUXRNLO-UHFFFAOYSA-N -1 0 344.381 3.597 20 0 EHADRM O=C(CSc1n[n-]c(=S)s1)N1CCc2ccc(Cl)cc21 ZINC000176146691 1023330980 /nfs/dbraw/zinc/33/09/80/1023330980.db2.gz SOQSYDBBEVNERO-UHFFFAOYSA-N -1 0 343.886 3.535 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)s1 ZINC000431156275 1023350703 /nfs/dbraw/zinc/35/07/03/1023350703.db2.gz FDJBPWLKZUPMAQ-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2sc(C)cc2C)c(C)cc1C ZINC000431168505 1023376524 /nfs/dbraw/zinc/37/65/24/1023376524.db2.gz ROGJTCQVLSYEJZ-UHFFFAOYSA-N -1 0 325.455 3.791 20 0 EHADRM Cn1c(CN[C@@H](CC(=O)[O-])c2ccsc2)nc2cc(Cl)ccc21 ZINC000276925687 1023385812 /nfs/dbraw/zinc/38/58/12/1023385812.db2.gz AUHVQVFUPFOHQG-LBPRGKRZSA-N -1 0 349.843 3.594 20 0 EHADRM COC(=O)c1occc1/C=C/c1nc2ccc(C(=O)[O-])cc2s1 ZINC000431555486 1033148440 /nfs/dbraw/zinc/14/84/40/1033148440.db2.gz GFTVHKLNFKCJFQ-HWKANZROSA-N -1 0 329.333 3.545 20 0 EHADRM C[C@H]1CN(C(=O)N(c2ccccc2)c2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000277148584 1023865211 /nfs/dbraw/zinc/86/52/11/1023865211.db2.gz QZNKKEBQCHFZAQ-YJBOKZPZSA-N -1 0 338.407 3.987 20 0 EHADRM CC(C)c1nnc([N-]S(=O)(=O)/C=C\c2cccc(Cl)c2)s1 ZINC000588482066 1023913475 /nfs/dbraw/zinc/91/34/75/1023913475.db2.gz BXTALQAGKFLREQ-SREVYHEPSA-N -1 0 343.861 3.728 20 0 EHADRM COCc1cccc(S(=O)(=O)[N-]c2cccc3ccsc32)c1 ZINC000443461066 1023964923 /nfs/dbraw/zinc/96/49/23/1023964923.db2.gz NRVBUUXGBRXBJR-UHFFFAOYSA-N -1 0 333.434 3.849 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1cccc2nccnc21 ZINC000317806122 1023967487 /nfs/dbraw/zinc/96/74/87/1023967487.db2.gz MOJWVYLMUYXURM-UHFFFAOYSA-N -1 0 334.162 3.895 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2N(C)C)c(C)s1 ZINC000216472844 1024032060 /nfs/dbraw/zinc/03/20/60/1024032060.db2.gz TUNKKZWTQXFKRA-UHFFFAOYSA-N -1 0 344.889 3.885 20 0 EHADRM CC(C)c1ccc(CCC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000236635875 1024052600 /nfs/dbraw/zinc/05/26/00/1024052600.db2.gz QPXPBZLSPOWUCM-KRWDZBQOSA-N -1 0 331.456 3.846 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)CCCCc1nc2ccccc2s1 ZINC000236655215 1024063647 /nfs/dbraw/zinc/06/36/47/1024063647.db2.gz CMIIQGRNPYKAOR-UHFFFAOYSA-N -1 0 348.468 3.578 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(-c2ccccc2OC[C@H]2CCOC2)cc1 ZINC000657204074 1024081455 /nfs/dbraw/zinc/08/14/55/1024081455.db2.gz KAMGITLYWYIFLP-CABCVRRESA-N -1 0 326.392 3.957 20 0 EHADRM COCCOCc1cccc(-c2ccc(F)c(CCC(=O)[O-])c2)c1 ZINC000657203452 1024086229 /nfs/dbraw/zinc/08/62/29/1024086229.db2.gz ZIQYLTFWBUPKNO-UHFFFAOYSA-N -1 0 332.371 3.673 20 0 EHADRM Cc1cc(-c2ccc(F)cc2CCC(=O)[O-])ccc1O[C@H]1CCOC1 ZINC000657204760 1024086549 /nfs/dbraw/zinc/08/65/49/1024086549.db2.gz DXYNZQYUIOIQJY-KRWDZBQOSA-N -1 0 344.382 3.986 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000191396802 1024089653 /nfs/dbraw/zinc/08/96/53/1024089653.db2.gz LFXQFVHBFFUDMU-CXAGYDPISA-N -1 0 333.428 3.626 20 0 EHADRM C[C@H]1SCC[C@H]1N=c1[n-]c(C(F)(F)F)c(Br)s1 ZINC000645399626 1024097948 /nfs/dbraw/zinc/09/79/48/1024097948.db2.gz AFUQDSSBTIPSRU-RFZPGFLSSA-N -1 0 347.225 3.652 20 0 EHADRM Cc1cc(C(C)(C)C(=O)[O-])ccc1-c1cc(C(F)(F)F)nn1C ZINC000657205682 1024105494 /nfs/dbraw/zinc/10/54/94/1024105494.db2.gz FQKQBHKXJRYVCL-UHFFFAOYSA-N -1 0 326.318 3.777 20 0 EHADRM COCCCOc1ccc(-c2ccc3c(c2)CC[C@@H]3C(=O)[O-])cc1 ZINC000657207086 1024114359 /nfs/dbraw/zinc/11/43/59/1024114359.db2.gz HRNWIVURMKXYRY-IBGZPJMESA-N -1 0 326.392 3.883 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)N[C@@H]1CCc2ccccc2C1)C1CCCCC1 ZINC000522619866 1024123395 /nfs/dbraw/zinc/12/33/95/1024123395.db2.gz FGRZXRPZPZWBHN-NQIIRXRSSA-N -1 0 343.467 3.721 20 0 EHADRM Cn1[n-]c(C(=O)N[C@@H]2CCCCC[C@H]2c2ccc(Cl)cc2)cc1=O ZINC000614593967 1024131634 /nfs/dbraw/zinc/13/16/34/1024131634.db2.gz VQVYQKWDKARYHZ-LSDHHAIUSA-N -1 0 347.846 3.625 20 0 EHADRM Cc1nc(=NC(=O)C2(c3cccc(Cl)c3)CCCCC2)s[n-]1 ZINC000443927586 1024134944 /nfs/dbraw/zinc/13/49/44/1024134944.db2.gz LNBDUNDFDJXKSW-UHFFFAOYSA-N -1 0 335.860 3.762 20 0 EHADRM COc1ccc(N(C)C(=O)c2cc(Cl)c3ccccc3c2[O-])cn1 ZINC000094057149 1024180617 /nfs/dbraw/zinc/18/06/17/1024180617.db2.gz OMZHTJHGOZNONH-UHFFFAOYSA-N -1 0 342.782 3.879 20 0 EHADRM O=C([O-])CCCc1ccccc1NCc1cccc2c1OCCCO2 ZINC000417632410 1024206301 /nfs/dbraw/zinc/20/63/01/1024206301.db2.gz YSPCLEQKESQFME-UHFFFAOYSA-N -1 0 341.407 3.867 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2cn(C)c3ccccc23)cc1)C(=O)[O-] ZINC000191387156 1024219243 /nfs/dbraw/zinc/21/92/43/1024219243.db2.gz CTTYEFKMOWGFGL-CYBMUJFWSA-N -1 0 336.391 3.694 20 0 EHADRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cccc2[nH]ccc21 ZINC000434627175 1024227107 /nfs/dbraw/zinc/22/71/07/1024227107.db2.gz MFEOKXYAPVKSGT-UHFFFAOYSA-N -1 0 330.409 3.594 20 0 EHADRM CCC(CC)(CC(=O)N[C@@H](C)c1cccc(OC(F)F)c1)C(=O)[O-] ZINC000324148992 1024247795 /nfs/dbraw/zinc/24/77/95/1024247795.db2.gz BBPDKSSCCADLFJ-NSHDSACASA-N -1 0 343.370 3.746 20 0 EHADRM C[C@@H](CC(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1)C(C)(C)C ZINC000391620676 1024260353 /nfs/dbraw/zinc/26/03/53/1024260353.db2.gz MOKBKRSGIJCHLD-HNNXBMFYSA-N -1 0 331.456 3.704 20 0 EHADRM CCCOc1ccc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1OC ZINC000029028326 1024284502 /nfs/dbraw/zinc/28/45/02/1024284502.db2.gz XLKZHTPYKKZJBP-XDHOZWIPSA-N -1 0 344.367 3.717 20 0 EHADRM Cc1cccc(C)c1CC(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC000192912496 1024288568 /nfs/dbraw/zinc/28/85/68/1024288568.db2.gz VGPXGNDHCJIJLP-UHFFFAOYSA-N -1 0 339.435 3.740 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CSc1ccc(F)cc1 ZINC000472019779 1024329046 /nfs/dbraw/zinc/32/90/46/1024329046.db2.gz RBXRECFYJMAWDH-UHFFFAOYSA-N -1 0 333.384 3.872 20 0 EHADRM COc1cc(C)ccc1C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000909519319 1024379241 /nfs/dbraw/zinc/37/92/41/1024379241.db2.gz HBOCJCQTIKFMGI-CYBMUJFWSA-N -1 0 327.380 3.519 20 0 EHADRM CC1(CS(=O)(=O)Nc2ccc(C(=O)[O-])cc2Cl)CCCCC1 ZINC000548548142 1024380515 /nfs/dbraw/zinc/38/05/15/1024380515.db2.gz AOCPZTYTRKOBKF-UHFFFAOYSA-N -1 0 345.848 3.750 20 0 EHADRM O=C([O-])c1ccc(CNCc2cc(Cl)ccc2F)nc1C1CC1 ZINC000417704176 1024386474 /nfs/dbraw/zinc/38/64/74/1024386474.db2.gz MCPBWNDBEFDMMC-UHFFFAOYSA-N -1 0 334.778 3.740 20 0 EHADRM COc1ccc(-c2nsc([N-]C(=O)c3sccc3F)n2)cc1 ZINC000550571832 1024431852 /nfs/dbraw/zinc/43/18/52/1024431852.db2.gz CUKWUJPMEIYQKU-UHFFFAOYSA-N -1 0 335.385 3.667 20 0 EHADRM O=C(N=c1cccn[n-]1)c1ccccc1SCc1cccs1 ZINC000346069516 1024503858 /nfs/dbraw/zinc/50/38/58/1024503858.db2.gz RSRHHMPLIRMCKH-UHFFFAOYSA-N -1 0 327.434 3.505 20 0 EHADRM CC(C)Oc1ccc(CN[C@H](C(=O)[O-])c2c(F)cccc2F)cc1 ZINC000277299075 1024514482 /nfs/dbraw/zinc/51/44/82/1024514482.db2.gz MUCXPYARJSGQMA-KRWDZBQOSA-N -1 0 335.350 3.668 20 0 EHADRM CN(CCC(=O)[O-])C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 ZINC000237229398 1024553679 /nfs/dbraw/zinc/55/36/79/1024553679.db2.gz FUMTWTXTAGJKCR-VQHVLOKHSA-N -1 0 333.384 3.501 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cn2)c1 ZINC000427634092 1024565317 /nfs/dbraw/zinc/56/53/17/1024565317.db2.gz PLFQCDBUBSARMM-UHFFFAOYSA-N -1 0 342.367 3.607 20 0 EHADRM CCC(CC)(CC(=O)Nc1cc(F)c(OC(C)C)c(F)c1)C(=O)[O-] ZINC000342261700 1024606578 /nfs/dbraw/zinc/60/65/78/1024606578.db2.gz XEOQLFPWGMYURI-UHFFFAOYSA-N -1 0 343.370 3.972 20 0 EHADRM CC(C)c1nn(-c2ccccc2)cc1CN=c1[n-]nc(C(C)(C)C)o1 ZINC000346293771 1024611010 /nfs/dbraw/zinc/61/10/10/1024611010.db2.gz JOFWHCSZZNHQEI-UHFFFAOYSA-N -1 0 339.443 3.710 20 0 EHADRM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)CC1CC1)c1cccc(Cl)c1 ZINC000079153154 1024652074 /nfs/dbraw/zinc/65/20/74/1024652074.db2.gz QKINYOPHILIKGF-CQSZACIVSA-N -1 0 329.849 3.776 20 0 EHADRM Cc1ccc2[nH]c([N-]S(=O)(=O)c3ccc(Cl)cc3C)nc2c1 ZINC000427655202 1024710052 /nfs/dbraw/zinc/71/00/52/1024710052.db2.gz GBGBHGZQSZHXCT-UHFFFAOYSA-N -1 0 335.816 3.634 20 0 EHADRM Cc1cccc(S([O-])=CC(=O)N(Cc2ccccc2)C(C)(C)C)c1 ZINC000108103688 1024762562 /nfs/dbraw/zinc/76/25/62/1024762562.db2.gz GOAUIAGBUDHMDS-DEOSSOPVSA-N -1 0 343.492 3.930 20 0 EHADRM Cc1cccc(S([O-])=CC(=O)N[C@@H](C)c2ccccc2Cl)c1 ZINC000108103167 1024762707 /nfs/dbraw/zinc/76/27/07/1024762707.db2.gz PSCRYYKKOCPNEJ-WHEQGISXSA-N -1 0 335.856 3.633 20 0 EHADRM Cc1cccc(S([O-])=CC(=O)N[C@H](C)c2ccccc2Cl)c1 ZINC000108103178 1024763405 /nfs/dbraw/zinc/76/34/05/1024763405.db2.gz PSCRYYKKOCPNEJ-DMZKTXOQSA-N -1 0 335.856 3.633 20 0 EHADRM COc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)c1ccsc1 ZINC000507970412 1024797066 /nfs/dbraw/zinc/79/70/66/1024797066.db2.gz OGYPGAVFYYDOFH-UHFFFAOYSA-N -1 0 338.237 3.864 20 0 EHADRM Cc1oc(CN(C)Cc2coc(-c3cccs3)n2)cc1C(=O)[O-] ZINC000514943566 1024918613 /nfs/dbraw/zinc/91/86/13/1024918613.db2.gz HMWPRESOXNEXOR-UHFFFAOYSA-N -1 0 332.381 3.635 20 0 EHADRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(C2CCCCC2)[nH]n1 ZINC000474418493 1024923030 /nfs/dbraw/zinc/92/30/30/1024923030.db2.gz VSZRRVLOCJPJIJ-UHFFFAOYSA-N -1 0 337.420 3.706 20 0 EHADRM O=C(CCOc1ccccc1F)Nc1cc(F)cc(Cl)c1[O-] ZINC000474439770 1024974072 /nfs/dbraw/zinc/97/40/72/1024974072.db2.gz OCIHZZOUHMKDNO-UHFFFAOYSA-N -1 0 327.714 3.731 20 0 EHADRM COc1ccc(OCC(=O)Nc2cc(F)cc(Cl)c2[O-])cc1C ZINC000474444201 1024977757 /nfs/dbraw/zinc/97/77/57/1024977757.db2.gz GOTNYZZFGVLHIO-UHFFFAOYSA-N -1 0 339.750 3.519 20 0 EHADRM C[C@H](Oc1cccc(F)c1)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474461710 1025004196 /nfs/dbraw/zinc/00/41/96/1025004196.db2.gz WQTMHEQUWSFYFU-QMMMGPOBSA-N -1 0 327.714 3.730 20 0 EHADRM Fc1cc(F)cc([C@H]2C[C@H](N=c3[n-]nc(C(F)(F)F)s3)C2)c1 ZINC000435603736 1025029943 /nfs/dbraw/zinc/02/99/43/1025029943.db2.gz LPYJLKCVHPJXHZ-GVJMRKKJSA-N -1 0 335.301 3.615 20 0 EHADRM CCOc1ccc(SCC(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000013170147 1025057670 /nfs/dbraw/zinc/05/76/70/1025057670.db2.gz VKMPBROUQXPERS-UHFFFAOYSA-N -1 0 345.420 3.823 20 0 EHADRM CC(C)Oc1ccc([C@@H](C)NC(=O)N2CCCCC[C@@H]2C(=O)[O-])cc1 ZINC000684727648 1025069773 /nfs/dbraw/zinc/06/97/73/1025069773.db2.gz YQCPQGAZKNLTKD-RHSMWYFYSA-N -1 0 348.443 3.574 20 0 EHADRM COc1ccc(C(=O)[O-])cc1NCc1c(Cl)n(C)nc1C(C)C ZINC000284386050 1025073270 /nfs/dbraw/zinc/07/32/70/1025073270.db2.gz YNRUNKBPWZDIBB-UHFFFAOYSA-N -1 0 337.807 3.516 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cccn1C1CCCC1 ZINC000190917820 1025083592 /nfs/dbraw/zinc/08/35/92/1025083592.db2.gz MCFKIRKLSTXNAJ-UHFFFAOYSA-N -1 0 326.396 3.574 20 0 EHADRM Cc1cncc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1 ZINC000435715984 1025101503 /nfs/dbraw/zinc/10/15/03/1025101503.db2.gz SMMAPEARDDIAFK-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM O=C([O-])[C@@H]1CCCCCN1C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000684743251 1025194521 /nfs/dbraw/zinc/19/45/21/1025194521.db2.gz ZCCCZWPVFXHEHI-AWEZNQCLSA-N -1 0 345.424 3.671 20 0 EHADRM Cc1coc(-c2cccc(NC(=O)N3CCCCC[C@@H]3C(=O)[O-])c2)n1 ZINC000684748258 1025238267 /nfs/dbraw/zinc/23/82/67/1025238267.db2.gz KHDLZVPWKGVBLP-OAHLLOKOSA-N -1 0 343.383 3.511 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)N([C@H](C)C(=O)[O-])C2CC2)c1 ZINC000684747825 1025242004 /nfs/dbraw/zinc/24/20/04/1025242004.db2.gz WMIURJVEUAHWHQ-CYBMUJFWSA-N -1 0 334.416 3.581 20 0 EHADRM CCc1nnc([N-]S(=O)(=O)c2cc(C(C)C)ccc2Cl)s1 ZINC000521263298 1025297603 /nfs/dbraw/zinc/29/76/03/1025297603.db2.gz IWYUSJCWKFUQDK-UHFFFAOYSA-N -1 0 345.877 3.678 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)N=c2[n-]nc(CC(C)C)s2)c1C ZINC000522463186 1025310165 /nfs/dbraw/zinc/31/01/65/1025310165.db2.gz NETZGSGFFXDNAL-CYBMUJFWSA-N -1 0 332.473 3.658 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1ccccc1OC(C)C ZINC000436017699 1025317757 /nfs/dbraw/zinc/31/77/57/1025317757.db2.gz CLBTZYHMPJJJRS-UHFFFAOYSA-N -1 0 337.466 3.997 20 0 EHADRM O=S(=O)([N-]c1ccsc1)c1ccc(C(F)(F)F)cc1F ZINC000436017786 1025318298 /nfs/dbraw/zinc/31/82/98/1025318298.db2.gz PSLKNBDLOMGSHF-UHFFFAOYSA-N -1 0 325.308 3.707 20 0 EHADRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccccc1SC ZINC000436017789 1025318596 /nfs/dbraw/zinc/31/85/96/1025318596.db2.gz ZTRIPDKSMUTTCP-UHFFFAOYSA-N -1 0 337.466 3.916 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCc1ccc(Cl)cc1 ZINC000262372564 1025357988 /nfs/dbraw/zinc/35/79/88/1025357988.db2.gz KFJOUFMMODFDDQ-KBMXLJTQSA-N -1 0 335.831 3.517 20 0 EHADRM CO[C@@H](C)c1nc(=NC(=O)c2oc3c(c2C)c(C)ccc3C)s[n-]1 ZINC000511080300 1025383354 /nfs/dbraw/zinc/38/33/54/1025383354.db2.gz NODWFGVTWXGECS-NSHDSACASA-N -1 0 345.424 3.591 20 0 EHADRM CCC[C@H](C(=O)[O-])[S@@](=O)[C@@H](C)c1ccc(Br)cc1 ZINC000515605107 1025400429 /nfs/dbraw/zinc/40/04/29/1025400429.db2.gz SSPXFRSPXGIKMW-QSOSSPEWSA-N -1 0 333.247 3.512 20 0 EHADRM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000684771156 1025410223 /nfs/dbraw/zinc/41/02/23/1025410223.db2.gz HIEMWALPAUEJAU-UHFFFAOYSA-N -1 0 331.456 3.834 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000255492630 1025423410 /nfs/dbraw/zinc/42/34/10/1025423410.db2.gz OPSRILRNVJLSJZ-LZXOJWNRSA-N -1 0 335.469 3.566 20 0 EHADRM C[C@@H](O)C[C@H](C)CN=c1[n-]nc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000444082860 1025425540 /nfs/dbraw/zinc/42/55/40/1025425540.db2.gz WVKCWMSCOIDLSA-DTWKUNHWSA-N -1 0 346.283 3.753 20 0 EHADRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C)sc1C ZINC000515631959 1025425621 /nfs/dbraw/zinc/42/56/21/1025425621.db2.gz ILIXPYKBKYZPRT-UHFFFAOYSA-N -1 0 325.455 3.873 20 0 EHADRM CCC[C@H](C(=O)[O-])[S@](=O)[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000574496716 1033282321 /nfs/dbraw/zinc/28/23/21/1033282321.db2.gz REWKSSNPXMMTAL-VFUUJBHISA-N -1 0 338.347 3.648 20 0 EHADRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(OC(C)C)nc1 ZINC000515656093 1025439912 /nfs/dbraw/zinc/43/99/12/1025439912.db2.gz GYEVTOFXNXRDBG-UHFFFAOYSA-N -1 0 340.832 3.631 20 0 EHADRM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1)c1cc(F)ccc1F ZINC000014225372 1025457425 /nfs/dbraw/zinc/45/74/25/1025457425.db2.gz YUQDRDRCKPDRMD-UHFFFAOYSA-N -1 0 337.269 3.784 20 0 EHADRM CCCOc1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2C)cc1 ZINC000451064778 1025504571 /nfs/dbraw/zinc/50/45/71/1025504571.db2.gz JNMXELQDIHFNJU-UHFFFAOYSA-N -1 0 340.832 3.633 20 0 EHADRM CCSCc1ccc(C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000347137005 1025559234 /nfs/dbraw/zinc/55/92/34/1025559234.db2.gz PFXVXQILDRCOJR-UHFFFAOYSA-N -1 0 329.421 3.819 20 0 EHADRM O=C(c1cccc(Br)c1[O-])N1CCC[C@H]1c1ccncc1 ZINC000521648035 1025560506 /nfs/dbraw/zinc/56/05/06/1025560506.db2.gz IOUUAMCWPLBCDF-AWEZNQCLSA-N -1 0 347.212 3.527 20 0 EHADRM CC(C)c1ncsc1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000451102089 1025562469 /nfs/dbraw/zinc/56/24/69/1025562469.db2.gz HRHDYOJAMHIBMH-UHFFFAOYSA-N -1 0 334.825 3.860 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N[C@H](C)c2cccc(OC)c2)s1 ZINC000515770792 1025577294 /nfs/dbraw/zinc/57/72/94/1025577294.db2.gz YEKLTMSHEQATMP-GFCCVEGCSA-N -1 0 348.472 3.584 20 0 EHADRM CC1(C)CN(C(=O)c2ccc([O-])c(Cl)c2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000442981955 1025643731 /nfs/dbraw/zinc/64/37/31/1025643731.db2.gz JVOLJQARIHURAG-UHYGZKCKSA-N -1 0 349.858 3.855 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)N[C@H]1C[C@H](c2ccccc2)C1 ZINC000436379172 1025664833 /nfs/dbraw/zinc/66/48/33/1025664833.db2.gz WGXYSRDKUGEQMP-IYARVYRRSA-N -1 0 344.418 3.633 20 0 EHADRM Clc1ccc(Cl)c(CN=c2[n-]nc([C@H]3CCCO3)s2)c1 ZINC000630962062 1025699722 /nfs/dbraw/zinc/69/97/22/1025699722.db2.gz FQIQCHOOMAKUBO-LLVKDONJSA-N -1 0 330.240 3.730 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N[C@@H](C)c2ccc(OC)cc2)s1 ZINC000521816817 1025701326 /nfs/dbraw/zinc/70/13/26/1025701326.db2.gz GPTWXMLOCINMSL-LBPRGKRZSA-N -1 0 348.472 3.584 20 0 EHADRM Cc1ccc(C(C)(C)C(=O)N=c2nc(-c3ccsc3)[n-]s2)cc1 ZINC000521835833 1025726269 /nfs/dbraw/zinc/72/62/69/1025726269.db2.gz WUILDBORIJGSGN-UHFFFAOYSA-N -1 0 343.477 3.913 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC3=O)sc1C ZINC000582282357 1025742805 /nfs/dbraw/zinc/74/28/05/1025742805.db2.gz ATSFKVVLBWWCEU-UHFFFAOYSA-N -1 0 335.450 3.685 20 0 EHADRM CCOc1ccc(N(CC)C(=O)N=c2[n-]nc(C(C)(C)C)s2)cc1 ZINC000436505381 1025799004 /nfs/dbraw/zinc/79/90/04/1025799004.db2.gz SJSCPVFDSBDLHO-UHFFFAOYSA-N -1 0 348.472 3.715 20 0 EHADRM COC(=O)c1ccc(O)c(NC(=O)CCSc2ccc(C)cc2)c1 ZINC000436512641 1025807348 /nfs/dbraw/zinc/80/73/48/1025807348.db2.gz YSANWMPFXNRSKG-UHFFFAOYSA-N -1 0 345.420 3.608 20 0 EHADRM O=C(N[C@H]1C[C@@H]1c1c(F)cccc1Cl)c1cc(F)c([O-])c(F)c1 ZINC000436521344 1025823298 /nfs/dbraw/zinc/82/32/98/1025823298.db2.gz CVSOFZZXVFSCFQ-SDBXPKJASA-N -1 0 341.716 3.749 20 0 EHADRM Cc1cccc(CS(=O)(=O)[N-]c2cc(-c3cccc(F)c3)on2)c1 ZINC000521968781 1025837954 /nfs/dbraw/zinc/83/79/54/1025837954.db2.gz COCNIIQGLRDXBA-UHFFFAOYSA-N -1 0 346.383 3.731 20 0 EHADRM O=C(N[C@H]1CCc2c1cccc2O)c1c([O-])cc(Cl)cc1Cl ZINC000436547540 1025850880 /nfs/dbraw/zinc/85/08/80/1025850880.db2.gz RBCZIEDWFKQUNY-LBPRGKRZSA-N -1 0 338.190 3.822 20 0 EHADRM O=C(Nc1ccc(N2CCCC2=O)c(F)c1)c1ccc(Cl)cc1[O-] ZINC000436542352 1025876716 /nfs/dbraw/zinc/87/67/16/1025876716.db2.gz GJJYWIPEIVPGOK-UHFFFAOYSA-N -1 0 348.761 3.564 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CC[C@H](c2ccc(F)cc2)C1 ZINC000436564613 1025892779 /nfs/dbraw/zinc/89/27/79/1025892779.db2.gz LAUDLTHIIVGXER-NSHDSACASA-N -1 0 337.753 3.954 20 0 EHADRM O=C(c1cc(Cl)ccc1O)N1CC(OCCCc2ccccc2)C1 ZINC000436569123 1025900748 /nfs/dbraw/zinc/90/07/48/1025900748.db2.gz ACBNMXIWYKJLBI-UHFFFAOYSA-N -1 0 345.826 3.519 20 0 EHADRM O=C(c1c([O-])cc(Cl)cc1Cl)N1CCc2ccc(O)cc2C1 ZINC000436593304 1025910921 /nfs/dbraw/zinc/91/09/21/1025910921.db2.gz DCSMCRHUQAHXKV-UHFFFAOYSA-N -1 0 338.190 3.603 20 0 EHADRM Cc1cc(C[C@H](C)NC(=O)c2cc(Cl)c3ccccc3c2[O-])[nH]n1 ZINC000436596234 1025915532 /nfs/dbraw/zinc/91/55/32/1025915532.db2.gz PMWXPMSMVHJLGL-JTQLQIEISA-N -1 0 343.814 3.591 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)Nc1ccc(OC(C)C)c(C)c1)C1CC1 ZINC000522057831 1025925028 /nfs/dbraw/zinc/92/50/28/1025925028.db2.gz ABQQHZLTGGJSTQ-OAHLLOKOSA-N -1 0 334.416 3.642 20 0 EHADRM C[C@@H](Cc1ccc(O)cc1)NC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000436603248 1025935664 /nfs/dbraw/zinc/93/56/64/1025935664.db2.gz LTBOWMHOXDBPKK-VIFPVBQESA-N -1 0 340.206 3.766 20 0 EHADRM O=C(N=c1nc(-c2cccnc2)[n-]s1)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000329518712 1025945213 /nfs/dbraw/zinc/94/52/13/1025945213.db2.gz FBOHMPKXDLIRJS-BPLDGKMQSA-N -1 0 342.468 3.567 20 0 EHADRM CSc1ccccc1C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000614688496 1025950965 /nfs/dbraw/zinc/95/09/65/1025950965.db2.gz MJUHEYIOBOFBMS-UHFFFAOYSA-N -1 0 327.434 3.601 20 0 EHADRM Cc1[nH]nc(C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)c1C ZINC000436632173 1025962546 /nfs/dbraw/zinc/96/25/46/1025962546.db2.gz VRHVARROXLCVHN-UHFFFAOYSA-N -1 0 334.590 3.945 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H]2Cc3ccccc3S2)c1 ZINC000436653890 1025979927 /nfs/dbraw/zinc/97/99/27/1025979927.db2.gz BRPVAJRIBFAVDT-QGZVFWFLSA-N -1 0 327.405 3.640 20 0 EHADRM O=C(N[C@H]1CCO[C@@H](C2CC2)C1)c1cc(Cl)c2ccccc2c1[O-] ZINC000436657074 1025985597 /nfs/dbraw/zinc/98/55/97/1025985597.db2.gz OZDPKJRISOWCME-YVEFUNNKSA-N -1 0 345.826 3.886 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CCCOc2ccccc2)c1 ZINC000436655221 1025985700 /nfs/dbraw/zinc/98/57/00/1025985700.db2.gz ZNCHTWPGFCDPSN-UHFFFAOYSA-N -1 0 327.380 3.783 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(-c3cccs3)[nH]n2)c1 ZINC000436645329 1025993778 /nfs/dbraw/zinc/99/37/78/1025993778.db2.gz LVWIITIAMUIITG-UHFFFAOYSA-N -1 0 341.392 3.689 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)COc2c(C)cc(C)cc2C)c1 ZINC000436646647 1025997129 /nfs/dbraw/zinc/99/71/29/1025997129.db2.gz AOWQHUXELAXDOW-UHFFFAOYSA-N -1 0 341.407 3.928 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)Cc2cccc(Cl)c2F)c1 ZINC000436647465 1025997894 /nfs/dbraw/zinc/99/78/94/1025997894.db2.gz QLVWWSCZNITLSI-UHFFFAOYSA-N -1 0 335.762 3.959 20 0 EHADRM O=C(N=c1cc(CC2CCCCC2)[nH][nH]1)c1ccc([O-])c(Cl)c1 ZINC000436665519 1026003884 /nfs/dbraw/zinc/00/38/84/1026003884.db2.gz PHLAQDGIASFLQW-UHFFFAOYSA-N -1 0 333.819 3.566 20 0 EHADRM CC(C)[C@@H](c1ccccc1)N(C)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000665326181 1026025849 /nfs/dbraw/zinc/02/58/49/1026025849.db2.gz WWGZDXKAIVSYCY-SJORKVTESA-N -1 0 332.444 3.526 20 0 EHADRM Cc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000103057687 1026043184 /nfs/dbraw/zinc/04/31/84/1026043184.db2.gz YBDSMXPBMOTXIS-UHFFFAOYSA-N -1 0 333.306 3.954 20 0 EHADRM O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc([O-])c(Cl)c1 ZINC000158501977 1026051976 /nfs/dbraw/zinc/05/19/76/1026051976.db2.gz PRNZWBGTFBPAFV-RHSMWYFYSA-N -1 0 331.799 3.696 20 0 EHADRM Cc1cccnc1C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000436700373 1026059707 /nfs/dbraw/zinc/05/97/07/1026059707.db2.gz ZQFYXZXZNDNVEQ-UHFFFAOYSA-N -1 0 341.592 3.764 20 0 EHADRM O=C(c1cc(Br)cc(Cl)c1[O-])N1CC(C2CCC2)C1 ZINC000436717061 1026084883 /nfs/dbraw/zinc/08/48/83/1026084883.db2.gz VWFOCLCUSDVJPY-UHFFFAOYSA-N -1 0 344.636 3.680 20 0 EHADRM Cn1nc(C2CCCC2)cc1NC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436716262 1026087958 /nfs/dbraw/zinc/08/79/58/1026087958.db2.gz PEOVAGLWAVBVBU-UHFFFAOYSA-N -1 0 337.782 3.828 20 0 EHADRM CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000436736416 1026101521 /nfs/dbraw/zinc/10/15/21/1026101521.db2.gz GSXYROSSSHCLDZ-HWPZZCPQSA-N -1 0 337.778 3.691 20 0 EHADRM Cc1nc(NC(=O)c2cc(Cl)cc(Br)c2[O-])cs1 ZINC000436743294 1026113967 /nfs/dbraw/zinc/11/39/67/1026113967.db2.gz ZRQSFXKTWNBRBK-UHFFFAOYSA-N -1 0 347.621 3.825 20 0 EHADRM Cc1cc(CN(C)C(=O)c2cc(Cl)c3ccccc3c2[O-])no1 ZINC000436758791 1026128212 /nfs/dbraw/zinc/12/82/12/1026128212.db2.gz OVGNIYOBJOMKIQ-UHFFFAOYSA-N -1 0 330.771 3.767 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCc3cccc(OC)c32)c1 ZINC000436764007 1026133869 /nfs/dbraw/zinc/13/38/69/1026133869.db2.gz JCZAXWBSSHKGQU-CQSZACIVSA-N -1 0 339.391 3.662 20 0 EHADRM O=C([O-])[C@@H]1CCCN1C(=O)CC1(CCc2ccccc2)CCCC1 ZINC000342531702 1026138908 /nfs/dbraw/zinc/13/89/08/1026138908.db2.gz TVZMXILAFWCTGE-KRWDZBQOSA-N -1 0 329.440 3.645 20 0 EHADRM CCC(CC)(NC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000342531973 1026140613 /nfs/dbraw/zinc/14/06/13/1026140613.db2.gz UPUZUDBEQKXRBN-NWDGAFQWSA-N -1 0 343.345 3.569 20 0 EHADRM O=C(N[C@H]1CCOc2c(F)cccc21)c1cc(F)cc(Cl)c1[O-] ZINC000436773649 1026148299 /nfs/dbraw/zinc/14/82/99/1026148299.db2.gz KAULVXFXTXBMNK-ZDUSSCGKSA-N -1 0 339.725 3.577 20 0 EHADRM C[C@H](c1ccccc1)[C@H](C)NC(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000582398175 1026160650 /nfs/dbraw/zinc/16/06/50/1026160650.db2.gz BUFUUGRGYCSMJP-RLFYNMQTSA-N -1 0 340.423 3.646 20 0 EHADRM CCN(C(=O)c1ccc(C(=O)[O-])s1)[C@H](C)c1cccc(OC)c1 ZINC000237043774 1026164731 /nfs/dbraw/zinc/16/47/31/1026164731.db2.gz KCQIOFBJESPQBL-LLVKDONJSA-N -1 0 333.409 3.678 20 0 EHADRM Cc1n[n-]c(=NC(=O)N2CC3(CCCCC3)[C@H]2c2ccccc2)s1 ZINC000563345639 1026164807 /nfs/dbraw/zinc/16/48/07/1026164807.db2.gz HAQCXWSGOAYICD-OAHLLOKOSA-N -1 0 342.468 3.808 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CC[C@H](CC(F)(F)F)C1 ZINC000277589064 1026210546 /nfs/dbraw/zinc/21/05/46/1026210546.db2.gz VKVBWMXSGGSHNK-SSDOTTSWSA-N -1 0 325.689 3.599 20 0 EHADRM C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000342554068 1026258069 /nfs/dbraw/zinc/25/80/69/1026258069.db2.gz BCTMOJGQCGEVRX-VIFPVBQESA-N -1 0 339.800 3.629 20 0 EHADRM Cc1ccc(NC(=O)N(CC(=O)[O-])C2CCCC2)cc1C(F)(F)F ZINC000324759077 1026312231 /nfs/dbraw/zinc/31/22/31/1026312231.db2.gz VADRRAORKOPLBG-UHFFFAOYSA-N -1 0 344.333 3.875 20 0 EHADRM Cc1cc(NC(=O)[C@H](C)Oc2ccc(F)cc2)cc(C(=O)[O-])c1C ZINC000324761149 1026312961 /nfs/dbraw/zinc/31/29/61/1026312961.db2.gz YPIKDBWWFHWZOA-LBPRGKRZSA-N -1 0 331.343 3.547 20 0 EHADRM CC(C)(C)c1nc(CC(=O)Nc2cccc(CCC(=O)[O-])c2)cs1 ZINC000262462053 1026363221 /nfs/dbraw/zinc/36/32/21/1026363221.db2.gz XSUTZJRUORLQJI-UHFFFAOYSA-N -1 0 346.452 3.639 20 0 EHADRM Cc1oc2ccccc2c1CNC(=O)N=c1[n-]nc(C(C)(C)C)s1 ZINC000342587885 1026374558 /nfs/dbraw/zinc/37/45/58/1026374558.db2.gz BONBNQUGOMQHCV-UHFFFAOYSA-N -1 0 344.440 3.634 20 0 EHADRM CCC(CC)N(C(=O)N=c1[n-]nc(-c2ccsc2)s1)C1CC1 ZINC000530945554 1026424989 /nfs/dbraw/zinc/42/49/89/1026424989.db2.gz KNDRHFSUMLPWQT-UHFFFAOYSA-N -1 0 336.486 3.873 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)N[C@@H]2CCCc3sccc32)s1 ZINC000342607962 1026451388 /nfs/dbraw/zinc/45/13/88/1026451388.db2.gz RZSJJNZGEDGDCM-SNVBAGLBSA-N -1 0 336.486 3.518 20 0 EHADRM CC(C)(C(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccccc1F ZINC000262473398 1026500153 /nfs/dbraw/zinc/50/01/53/1026500153.db2.gz ZJCMJOGTRCNKBF-UHFFFAOYSA-N -1 0 329.371 3.759 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1ccc2c(c1)OCCO2 ZINC000317834526 1026501820 /nfs/dbraw/zinc/50/18/20/1026501820.db2.gz PXUOIAALDKPXPI-UHFFFAOYSA-N -1 0 340.162 3.723 20 0 EHADRM CC1(C)CN(C(=O)c2cc(Br)c(F)cc2[O-])[C@H]1C1CC1 ZINC000452151645 1026502444 /nfs/dbraw/zinc/50/24/44/1026502444.db2.gz LNAQUTCSLNCLKL-ZDUSSCGKSA-N -1 0 342.208 3.554 20 0 EHADRM COC(=O)c1cc(OC)c(Nc2cc(C)cc(C(=O)[O-])c2)cc1Cl ZINC001211547818 1026509682 /nfs/dbraw/zinc/50/96/82/1026509682.db2.gz YDTLGIYZTHQTLW-UHFFFAOYSA-N -1 0 349.770 3.885 20 0 EHADRM Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2cc(F)ccc2F)s1 ZINC000122506820 1026517899 /nfs/dbraw/zinc/51/78/99/1026517899.db2.gz FQTDIWLGAOCUEF-UHFFFAOYSA-N -1 0 346.424 3.729 20 0 EHADRM O=C(c1cc(F)cc(Br)c1[O-])N1CC[C@H](CC2CC2)C1 ZINC000452165898 1026535625 /nfs/dbraw/zinc/53/56/25/1026535625.db2.gz RQDIQLGMQLPZJY-SNVBAGLBSA-N -1 0 342.208 3.556 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2cccc3cccnc32)ccc1Cl ZINC000193488585 1026569668 /nfs/dbraw/zinc/56/96/68/1026569668.db2.gz YECKBSMWTGVXCB-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM O=C(NCc1csc(Br)c1)c1ccc([O-])c(Cl)c1 ZINC000031421904 1026608224 /nfs/dbraw/zinc/60/82/24/1026608224.db2.gz BMFAXWLJIPBNBM-UHFFFAOYSA-N -1 0 346.633 3.800 20 0 EHADRM O=C(C[C@@H]1CSCCS1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000159314614 1026607562 /nfs/dbraw/zinc/60/75/62/1026607562.db2.gz LURUMACCXJKNLV-MRVPVSSYSA-N -1 0 338.281 3.876 20 0 EHADRM CC(C)C[C@](C)(CC(=O)[O-])C(=O)Nc1cccc(OCCF)c1 ZINC000634824980 1026632489 /nfs/dbraw/zinc/63/24/89/1026632489.db2.gz HOOFTMUNQUCNPA-QGZVFWFLSA-N -1 0 325.380 3.501 20 0 EHADRM CCn1nc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1C1CC1 ZINC000531162929 1026635472 /nfs/dbraw/zinc/63/54/72/1026635472.db2.gz TVUAOAOZEACQAF-UHFFFAOYSA-N -1 0 333.457 3.705 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000262726641 1026689522 /nfs/dbraw/zinc/68/95/22/1026689522.db2.gz STDWGSNTLKJYGH-DZKIICNBSA-N -1 0 335.831 3.798 20 0 EHADRM CCC[C@](C)(NC(=O)C[C@H](C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000431461841 1026692906 /nfs/dbraw/zinc/69/29/06/1026692906.db2.gz VZXSGXKQUTZTLI-PXAZEXFGSA-N -1 0 325.836 3.668 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])C1 ZINC000909582276 1026703076 /nfs/dbraw/zinc/70/30/76/1026703076.db2.gz DUOZMWAINNBETG-QDEZUTFSSA-N -1 0 333.403 3.626 20 0 EHADRM O=C(CCCSc1nc(C(F)(F)F)cc(=O)[nH]1)c1ccccc1 ZINC000582598207 1026704523 /nfs/dbraw/zinc/70/45/23/1026704523.db2.gz QWXMORAAGDEHPA-UHFFFAOYSA-N -1 0 342.342 3.956 20 0 EHADRM Cc1nc(-c2ccc(N(C)CCCc3ccccc3)nc2)[nH]c(=O)c1C ZINC000301362523 1026777864 /nfs/dbraw/zinc/77/78/64/1026777864.db2.gz MIIXXBZWWZNMNK-UHFFFAOYSA-N -1 0 348.450 3.930 20 0 EHADRM CCn1nc([N-]S(=O)(=O)c2cccc3ccccc32)cc1C1CC1 ZINC000531472553 1026961220 /nfs/dbraw/zinc/96/12/20/1026961220.db2.gz BIJUFGLBXFZWJP-UHFFFAOYSA-N -1 0 341.436 3.734 20 0 EHADRM CC(C)[C@@H]1C[C@H](CNC(=O)c2c([O-])cc(Cl)cc2Cl)CCO1 ZINC000452840747 1027035778 /nfs/dbraw/zinc/03/57/78/1027035778.db2.gz PUVWJPAQEJCBIR-YGRLFVJLSA-N -1 0 346.254 3.880 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2cccc3cccnc32)cc1C ZINC000342789107 1027065705 /nfs/dbraw/zinc/06/57/05/1027065705.db2.gz ZHPKRQVWXVFFGV-LBPRGKRZSA-N -1 0 344.440 3.512 20 0 EHADRM CCc1ccc([C@H]2CN([C@@H](C(=O)[O-])c3ccccc3F)CCO2)cc1 ZINC000582729369 1027079680 /nfs/dbraw/zinc/07/96/80/1027079680.db2.gz BJZKZBFMULBGAV-RTBURBONSA-N -1 0 343.398 3.587 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CC[C@@H](COc2ccccc2)C1 ZINC000272806325 1027123880 /nfs/dbraw/zinc/12/38/80/1027123880.db2.gz KDDDJWJPBYCCKZ-GFCCVEGCSA-N -1 0 349.789 3.726 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N(C)[C@H](C)Cc2ccccc2C)c1 ZINC000414435583 1027267520 /nfs/dbraw/zinc/26/75/20/1027267520.db2.gz BAGVICJDNOPFOK-OAHLLOKOSA-N -1 0 325.408 3.705 20 0 EHADRM CCOc1cc(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)ccc1C ZINC000414436971 1027292335 /nfs/dbraw/zinc/29/23/35/1027292335.db2.gz CMYXQIJUMPTKFJ-ZDUSSCGKSA-N -1 0 327.380 3.834 20 0 EHADRM CC(C)[C@H](Sc1ccccc1)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000414442415 1027358328 /nfs/dbraw/zinc/35/83/28/1027358328.db2.gz QCIALDBREQVFPS-MAUKXSAKSA-N -1 0 335.469 3.517 20 0 EHADRM CC(C)(C)c1nc(=NCc2csc(Br)c2)s[n-]1 ZINC000397274854 1027378897 /nfs/dbraw/zinc/37/88/97/1027378897.db2.gz YRSOGIMRBVBPGT-UHFFFAOYSA-N -1 0 332.292 3.694 20 0 EHADRM CCc1ccc(C(C)(C)C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000685019849 1027558485 /nfs/dbraw/zinc/55/84/85/1027558485.db2.gz ZLXMMKDEYBFBHF-KRWDZBQOSA-N -1 0 345.483 3.876 20 0 EHADRM CCSCc1cccc(NC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000564982421 1027604685 /nfs/dbraw/zinc/60/46/85/1027604685.db2.gz BCKBSVDPIRSMGD-SWLSCSKDSA-N -1 0 336.457 3.514 20 0 EHADRM Cc1cc(C)c([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)c(C)n1 ZINC000414459101 1027614155 /nfs/dbraw/zinc/61/41/55/1027614155.db2.gz NZHFFWIQLYZPLH-UHFFFAOYSA-N -1 0 342.823 3.909 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC000237305306 1027642230 /nfs/dbraw/zinc/64/22/30/1027642230.db2.gz NEAYUYXWXMOVIK-ZDUSSCGKSA-N -1 0 327.380 3.834 20 0 EHADRM COc1ccc(-c2n[n-]c(=N[C@H]3CCCC(F)(F)C3)s2)cc1 ZINC000420608786 1027643122 /nfs/dbraw/zinc/64/31/22/1027643122.db2.gz JEVDEJOGOJPGGE-NSHDSACASA-N -1 0 325.384 3.625 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)CC1(C(=O)[O-])CCC1 ZINC000262538008 1027809478 /nfs/dbraw/zinc/80/94/78/1027809478.db2.gz QQLQJIMCHHOXMC-UHFFFAOYSA-N -1 0 325.792 3.711 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC[C@@H]1C(=O)[O-] ZINC000313743577 1027831545 /nfs/dbraw/zinc/83/15/45/1027831545.db2.gz CRBRAORFKBZPBW-PELKAZGASA-N -1 0 331.199 3.568 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N(CCC(C)C)C2CCCC2)s1 ZINC000444497861 1027999271 /nfs/dbraw/zinc/99/92/71/1027999271.db2.gz WNIOHALJJQUVCX-UHFFFAOYSA-N -1 0 342.534 3.895 20 0 EHADRM Cc1ccc(-c2nc(C(=O)N3CCCC[C@H]3CCC(=O)[O-])cs2)o1 ZINC000237746637 1028082037 /nfs/dbraw/zinc/08/20/37/1028082037.db2.gz AGFZQMJPSGBYMT-LBPRGKRZSA-N -1 0 348.424 3.571 20 0 EHADRM CCc1csc(-n2cc(C(=O)Nc3cccc(Cl)c3[O-])cn2)n1 ZINC000342914039 1028089099 /nfs/dbraw/zinc/08/90/99/1028089099.db2.gz XCVSLPBOAMTAAT-UHFFFAOYSA-N -1 0 348.815 3.503 20 0 EHADRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000614838677 1028113276 /nfs/dbraw/zinc/11/32/76/1028113276.db2.gz FAMOOOAMTIDVRG-UHFFFAOYSA-N -1 0 343.807 3.987 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)NC[C@@H]2CCCC(F)(F)C2)s1 ZINC000503785781 1028132975 /nfs/dbraw/zinc/13/29/75/1028132975.db2.gz CCTXRZUOPHMMBD-LLVKDONJSA-N -1 0 346.447 3.640 20 0 EHADRM CN(c1cc(Cl)cc(C(=O)[O-])c1)c1ncc(C(F)(F)F)cc1N ZINC001211961166 1028199503 /nfs/dbraw/zinc/19/95/03/1028199503.db2.gz YDAULHYMRSADTE-UHFFFAOYSA-N -1 0 345.708 3.802 20 0 EHADRM Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1ccccc1C(C)(C)C ZINC000502463888 1028241997 /nfs/dbraw/zinc/24/19/97/1028241997.db2.gz MLXOPIWSTQZTGR-UHFFFAOYSA-N -1 0 343.399 3.754 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)nc2)c(C)s1 ZINC000054796682 1028250228 /nfs/dbraw/zinc/25/02/28/1028250228.db2.gz SSKRZYVSKLKGQU-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2ccc(C(=O)NC3CC3)cc2)c1 ZINC001211965217 1028270827 /nfs/dbraw/zinc/27/08/27/1028270827.db2.gz URFOIMBYELTKJC-UHFFFAOYSA-N -1 0 330.771 3.674 20 0 EHADRM COC(=O)c1ccc(OC)c(Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC001211965133 1028272652 /nfs/dbraw/zinc/27/26/52/1028272652.db2.gz PXOIAGAHVNLMKW-UHFFFAOYSA-N -1 0 335.743 3.577 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc([O-])c(Cl)c2)C[C@@H](c2ccccc2)O1 ZINC000067860253 1028377269 /nfs/dbraw/zinc/37/72/69/1028377269.db2.gz VWORUAQGJSHHTP-PXAZEXFGSA-N -1 0 331.799 3.648 20 0 EHADRM O=C([N-]NC(=O)c1ccc(Cl)cc1)c1ccc(-c2ccccc2)o1 ZINC000143666707 1028437977 /nfs/dbraw/zinc/43/79/77/1028437977.db2.gz OFGSAQORGMHTSJ-UHFFFAOYSA-N -1 0 340.766 3.675 20 0 EHADRM Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000327289306 1028448530 /nfs/dbraw/zinc/44/85/30/1028448530.db2.gz MCNXDHLPUHXCDO-FLIBITNWSA-N -1 0 334.375 3.755 20 0 EHADRM O=C([O-])C1(CNC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCCCC1 ZINC000261841471 1028512911 /nfs/dbraw/zinc/51/29/11/1028512911.db2.gz ITRNPCZOCPHLNQ-VXGBXAGGSA-N -1 0 335.366 3.506 20 0 EHADRM C[C@@]1(c2ccccc2)CN(C(=O)c2cc(F)c([O-])c(Cl)c2)CCO1 ZINC000194840601 1028554689 /nfs/dbraw/zinc/55/46/89/1028554689.db2.gz MWROMQRSMJLZAA-SFHVURJKSA-N -1 0 349.789 3.573 20 0 EHADRM Cc1ccc(-c2nc(C(=O)N(CCC(=O)[O-])C(C)C)cs2)c(C)c1 ZINC000236772926 1028580198 /nfs/dbraw/zinc/58/01/98/1028580198.db2.gz NBEYVONZNHERSL-UHFFFAOYSA-N -1 0 346.452 3.752 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cccc(F)c2F)cc1Cl ZINC000509542285 1028598211 /nfs/dbraw/zinc/59/82/11/1028598211.db2.gz SNIWVAPOKPWRMG-UHFFFAOYSA-N -1 0 347.770 3.818 20 0 EHADRM COc1ccsc1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000237118493 1028641821 /nfs/dbraw/zinc/64/18/21/1028641821.db2.gz ZRWLDGCVSZFCIV-UHFFFAOYSA-N -1 0 333.390 3.922 20 0 EHADRM C[C@@H](Sc1ccccc1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000237360250 1028647010 /nfs/dbraw/zinc/64/70/10/1028647010.db2.gz SEXYCSPWEUHOSQ-CYBMUJFWSA-N -1 0 329.421 3.524 20 0 EHADRM Cc1ccc(F)cc1NC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000237382897 1028651417 /nfs/dbraw/zinc/65/14/17/1028651417.db2.gz HCMUGVNYJXXROI-LLVKDONJSA-N -1 0 333.384 3.952 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)[C@H](C)Sc1ccccc1)c1ccccc1 ZINC000237546494 1028653268 /nfs/dbraw/zinc/65/32/68/1028653268.db2.gz KAEPXOXFZOEAPW-KEYYUXOJSA-N -1 0 343.448 3.745 20 0 EHADRM CC(=O)Nc1ccc(F)c(NC(=O)c2cc(F)c([O-])c(Cl)c2)c1 ZINC000445250406 1028655261 /nfs/dbraw/zinc/65/52/61/1028655261.db2.gz GHZVXBVOFLSQSM-UHFFFAOYSA-N -1 0 340.713 3.535 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cc(Cl)ccc2F)Cc2ccccc2C1 ZINC000237915368 1028669786 /nfs/dbraw/zinc/66/97/86/1028669786.db2.gz AGIGZIMYJLPBES-UHFFFAOYSA-N -1 0 347.773 3.678 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2CCSc3c(F)cccc32)s1 ZINC000238038123 1028673356 /nfs/dbraw/zinc/67/33/56/1028673356.db2.gz JJHFFBMZHNBTCQ-JTQLQIEISA-N -1 0 337.397 3.552 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c1 ZINC000238125339 1028679586 /nfs/dbraw/zinc/67/95/86/1028679586.db2.gz HLWVLJIOPRYJIB-LSDHHAIUSA-N -1 0 329.783 3.709 20 0 EHADRM CCc1cc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)ccc1F ZINC000504482896 1028683838 /nfs/dbraw/zinc/68/38/38/1028683838.db2.gz UDVZKSYGIVXALI-IBGZPJMESA-N -1 0 329.371 3.759 20 0 EHADRM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1nc2ccccc2[nH]1 ZINC000504523683 1028709523 /nfs/dbraw/zinc/70/95/23/1028709523.db2.gz HCLMZKAATVKFOE-UHFFFAOYSA-N -1 0 329.425 3.661 20 0 EHADRM CC(C)C[C@@](C)(CC(=O)[O-])C(=O)NC[C@H]1CSc2ccccc21 ZINC000634839466 1028831847 /nfs/dbraw/zinc/83/18/47/1028831847.db2.gz KLEPSOMQHWJVTM-UGSOOPFHSA-N -1 0 335.469 3.519 20 0 EHADRM CSCc1cccc(CNC(=O)CC2(CC(=O)[O-])CCCCC2)c1 ZINC000445486403 1028846700 /nfs/dbraw/zinc/84/67/00/1028846700.db2.gz MKBCNGXWZZPZEB-UHFFFAOYSA-N -1 0 349.496 3.981 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)CCc2ccc(Cl)cc2)no1 ZINC000424212080 1028874140 /nfs/dbraw/zinc/87/41/40/1028874140.db2.gz ZLONBSCAJUIYLN-UHFFFAOYSA-N -1 0 342.848 3.610 20 0 EHADRM COc1ccccc1-c1nc(CN2CCC[C@@H](C)[C@H]2C(=O)[O-])cs1 ZINC000424267577 1028922272 /nfs/dbraw/zinc/92/22/72/1028922272.db2.gz KIWZLYZWHRJAEI-WBMJQRKESA-N -1 0 346.452 3.504 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 ZINC000532874924 1028961553 /nfs/dbraw/zinc/96/15/53/1028961553.db2.gz MMQUVFXNCRGBLK-CQSZACIVSA-N -1 0 349.858 3.865 20 0 EHADRM CN(C(=O)c1cc(F)c([O-])c(Cl)c1)C1CC(OC(C)(C)C)C1 ZINC000422009062 1029008660 /nfs/dbraw/zinc/00/86/60/1029008660.db2.gz DGWPYNLZIYEVNR-UHFFFAOYSA-N -1 0 329.799 3.603 20 0 EHADRM Cc1ccc(-c2ncc(C[N@H+]3CCC[C@H](C)[C@H]3C(=O)[O-])s2)cc1 ZINC000424424741 1029046926 /nfs/dbraw/zinc/04/69/26/1029046926.db2.gz XAZWELWDJLTNDV-BBRMVZONSA-N -1 0 330.453 3.804 20 0 EHADRM CC[C@H]1c2ccsc2CCN1C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000424406757 1029053856 /nfs/dbraw/zinc/05/38/56/1029053856.db2.gz GOXGYRVJXVVGOK-OCCSQVGLSA-N -1 0 338.473 3.514 20 0 EHADRM Cc1cc(Br)c(CN2CCC[C@@H](C)[C@@H]2C(=O)[O-])s1 ZINC000424413818 1029057972 /nfs/dbraw/zinc/05/79/72/1029057972.db2.gz PRUSBVPXZRWHMI-PRHODGIISA-N -1 0 332.263 3.504 20 0 EHADRM O=C(Nc1n[nH]c(-c2ccco2)n1)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000076989438 1029069668 /nfs/dbraw/zinc/06/96/68/1029069668.db2.gz GQIJWSKWJUQRRT-BDAKNGLRSA-N -1 0 346.749 3.599 20 0 EHADRM Cc1cc(=NC(=O)CCCc2csc3ccccc23)[n-]nc1C ZINC000445806611 1029144763 /nfs/dbraw/zinc/14/47/63/1029144763.db2.gz XWVCEEMDIVZMEC-UHFFFAOYSA-N -1 0 325.437 3.691 20 0 EHADRM COc1ccc(C(C)(C)C(=O)NCCCCCCCC(=O)[O-])cc1 ZINC000271969096 1029251317 /nfs/dbraw/zinc/25/13/17/1029251317.db2.gz QJXHGYRLUZZQLR-UHFFFAOYSA-N -1 0 335.444 3.514 20 0 EHADRM [O-]c1ccc(Cl)cc1-c1nc(-c2nnc(-c3ccccc3)o2)no1 ZINC000446011403 1029326391 /nfs/dbraw/zinc/32/63/91/1029326391.db2.gz OEJGHJJUPGRPBA-UHFFFAOYSA-N -1 0 340.726 3.813 20 0 EHADRM C[C@H](Sc1n[nH]c(=O)[n-]1)C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000446068180 1029361013 /nfs/dbraw/zinc/36/10/13/1029361013.db2.gz QGXVGQRTTNPVCU-NSHDSACASA-N -1 0 341.392 3.666 20 0 EHADRM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2OC)cc1 ZINC000614865922 1029412099 /nfs/dbraw/zinc/41/20/99/1029412099.db2.gz GUGLMSLSOFJTSR-UHFFFAOYSA-N -1 0 335.425 3.593 20 0 EHADRM C[C@@H](C1CCCCC1)N(C)C(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000446115751 1029427402 /nfs/dbraw/zinc/42/74/02/1029427402.db2.gz GDWSHCWUBHXMFQ-NSHDSACASA-N -1 0 334.445 3.653 20 0 EHADRM CC(C)(C)OC(=O)C(C)(C)CCNC(=O)c1ccc([O-])c(Cl)c1 ZINC000424942683 1029447710 /nfs/dbraw/zinc/44/77/10/1029447710.db2.gz NSZMAXPNBCLWAJ-UHFFFAOYSA-N -1 0 341.835 3.533 20 0 EHADRM CCc1oc(C(=O)N2CC[C@@H](C)[C@@H]2c2cccc(F)c2)cc1C(=O)[O-] ZINC000261654562 1029469303 /nfs/dbraw/zinc/46/93/03/1029469303.db2.gz NCSNNGWTXCPKCV-PIGZYNQJSA-N -1 0 345.370 3.903 20 0 EHADRM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)[N-]OCCC(F)(F)F ZINC000162804940 1029471260 /nfs/dbraw/zinc/47/12/60/1029471260.db2.gz LZUKVIJDWUCHQW-ZETCQYMHSA-N -1 0 346.132 3.761 20 0 EHADRM CC[C@@H]1C[C@@]1(NC(=O)N=c1ccc(C2CC2)n[n-]1)c1cccc(C)c1 ZINC000505377892 1029497627 /nfs/dbraw/zinc/49/76/27/1029497627.db2.gz UWMVIHDHDQIADJ-QRWLVFNGSA-N -1 0 336.439 3.531 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000050921171 1029540996 /nfs/dbraw/zinc/54/09/96/1029540996.db2.gz BBSCCLRELONZKF-CYBMUJFWSA-N -1 0 330.211 3.853 20 0 EHADRM CC[C@@H](NC(=O)N=c1[n-]nc(C(C)(C)C)s1)c1ccc(C)cc1 ZINC000513871255 1029550676 /nfs/dbraw/zinc/55/06/76/1029550676.db2.gz NQEGIKHAMIEAFB-CYBMUJFWSA-N -1 0 332.473 3.839 20 0 EHADRM CC(C)Oc1ccc([C@H](C)NC(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000262337458 1029586547 /nfs/dbraw/zinc/58/65/47/1029586547.db2.gz FTHWVQWJTSNRTA-LBPRGKRZSA-N -1 0 345.370 3.802 20 0 EHADRM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC000262429091 1029592667 /nfs/dbraw/zinc/59/26/67/1029592667.db2.gz RKFVUNZLGPBGHC-IUODEOHRSA-N -1 0 327.355 3.542 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@H]2CCCC[C@@H]2Cc2ccccc2)CCC1 ZINC000262468733 1029595864 /nfs/dbraw/zinc/59/58/64/1029595864.db2.gz GPUZUSFGEHJRMO-SJORKVTESA-N -1 0 329.440 3.549 20 0 EHADRM Cc1nc(-c2ccccc2)ccc1C(=O)N[C@@](C)(CC(=O)[O-])C(C)C ZINC000262840595 1029643944 /nfs/dbraw/zinc/64/39/44/1029643944.db2.gz CZIIRIMCWTVRTL-FQEVSTJZSA-N -1 0 340.423 3.676 20 0 EHADRM CC(C)CC1(C(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)CCC1 ZINC000262980153 1029654382 /nfs/dbraw/zinc/65/43/82/1029654382.db2.gz UHPBPKMPDJKBIQ-IRXDYDNUSA-N -1 0 329.440 3.530 20 0 EHADRM Cc1nc(C2CCCC2)sc1C(=O)N[C@@](C)(CC(=O)[O-])C(C)C ZINC000263121251 1029667145 /nfs/dbraw/zinc/66/71/45/1029667145.db2.gz XCPMRJPWNGCCPS-KRWDZBQOSA-N -1 0 338.473 3.728 20 0 EHADRM COc1ccc(C[C@@H](C)C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)cc1 ZINC000263196580 1029672622 /nfs/dbraw/zinc/67/26/22/1029672622.db2.gz JGNGBOJWZBJHMK-KGLIPLIRSA-N -1 0 341.407 3.701 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)[C@H]2C[C@H]2c2ccccc2Cl)s1 ZINC000263205678 1029675000 /nfs/dbraw/zinc/67/50/00/1029675000.db2.gz MWXVMZWZKTXABE-RYUDHWBXSA-N -1 0 335.812 3.520 20 0 EHADRM CC[C@]1(C)C[C@H]1C(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC000263246999 1029679352 /nfs/dbraw/zinc/67/93/52/1029679352.db2.gz UTODGUABYZBJMU-SCLBCKFNSA-N -1 0 344.436 3.561 20 0 EHADRM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)CC2(C(=O)[O-])CCC2)cc1 ZINC000263281204 1029683305 /nfs/dbraw/zinc/68/33/05/1029683305.db2.gz OKZVCBJHQZGECG-CRAIPNDOSA-N -1 0 329.440 3.940 20 0 EHADRM Cc1noc(C)c1[C@H](C)CC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000263292308 1029684689 /nfs/dbraw/zinc/68/46/89/1029684689.db2.gz MJWFPLPYFCQMPS-GHMZBOCLSA-N -1 0 330.384 3.612 20 0 EHADRM Cc1nc([C@H](C)NC(=O)c2ccc(C3CCC3)cc2)sc1C(=O)[O-] ZINC000263316902 1029687833 /nfs/dbraw/zinc/68/78/33/1029687833.db2.gz ZIMAAEFBIBIIQB-NSHDSACASA-N -1 0 344.436 3.908 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000263350697 1029690309 /nfs/dbraw/zinc/69/03/09/1029690309.db2.gz PQVFFEIIDJTSQN-ZYHUDNBSSA-N -1 0 344.238 3.638 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@H]2C)c1 ZINC000263346085 1029690529 /nfs/dbraw/zinc/69/05/29/1029690529.db2.gz UAXXCZIBYVIMIU-DYVFJYSZSA-N -1 0 341.382 3.851 20 0 EHADRM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000263346449 1029690714 /nfs/dbraw/zinc/69/07/14/1029690714.db2.gz UFNSXGAXHWVFQY-NRSFXHEJSA-N -1 0 329.440 3.796 20 0 EHADRM C[C@@H](NC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccc(F)c2ccccc21 ZINC000263432198 1029697620 /nfs/dbraw/zinc/69/76/20/1029697620.db2.gz ZBXYMQXBAGKWNG-CWTRNNRKSA-N -1 0 344.386 3.546 20 0 EHADRM CC(C)(C)Oc1ccc(NC(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000263445677 1029699320 /nfs/dbraw/zinc/69/93/20/1029699320.db2.gz FVVUSNZPDFWPRS-UHFFFAOYSA-N -1 0 334.416 3.629 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN1C(=O)CCCc1csc2ccccc12 ZINC000263455250 1029699432 /nfs/dbraw/zinc/69/94/32/1029699432.db2.gz OWXXTJXCWFXJFT-GOSISDBHSA-N -1 0 331.437 3.690 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2cc(-c3ccc(C)o3)[nH]n2)cc1 ZINC000446624771 1029717592 /nfs/dbraw/zinc/71/75/92/1029717592.db2.gz OUCJETWSSDITHQ-UHFFFAOYSA-N -1 0 349.437 3.501 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)CC1CCC(C(=O)[O-])CC1)C(F)(F)F ZINC000565031415 1029741913 /nfs/dbraw/zinc/74/19/13/1029741913.db2.gz CKVXIICDKSDBJW-MCIGGMRASA-N -1 0 337.382 3.751 20 0 EHADRM COCCc1ccc(-c2ccc(C(=O)CCCC(=O)[O-])cc2)cc1 ZINC000583392561 1029760882 /nfs/dbraw/zinc/76/08/82/1029760882.db2.gz JWYOBDSTNMGPGI-UHFFFAOYSA-N -1 0 326.392 3.980 20 0 EHADRM COc1ccc2oc([C@@H](C)NC(=O)CC3(C(=O)[O-])CCC3)c(C)c2c1 ZINC000262574589 1029763466 /nfs/dbraw/zinc/76/34/66/1029763466.db2.gz ZSVKMCUSDIPJJP-GFCCVEGCSA-N -1 0 345.395 3.572 20 0 EHADRM CCOCc1n[n-]c(=NCc2ccc(Oc3cccc(F)c3)cc2)o1 ZINC000446947354 1029863185 /nfs/dbraw/zinc/86/31/85/1029863185.db2.gz XPRPQXHEKNIUGD-UHFFFAOYSA-N -1 0 343.358 3.572 20 0 EHADRM Cc1ccc(CN=c2[n-]nc(CCc3ccccc3)o2)cc1Cl ZINC000446965623 1029868242 /nfs/dbraw/zinc/86/82/42/1029868242.db2.gz KBGOJIXHNFFQCQ-UHFFFAOYSA-N -1 0 327.815 3.851 20 0 EHADRM Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000119985679 1029893031 /nfs/dbraw/zinc/89/30/31/1029893031.db2.gz FTJINBCKYOQSBA-UHFFFAOYSA-N -1 0 349.305 3.675 20 0 EHADRM Cc1cccc(N=c2[n-]nc(SC[C@@H]3CCO[C@@H](C)C3)s2)c1 ZINC000447112357 1029927421 /nfs/dbraw/zinc/92/74/21/1029927421.db2.gz VIJFNEZLSZEKOX-QWHCGFSZSA-N -1 0 335.498 3.919 20 0 EHADRM FC(F)(F)COc1ccc(CN=c2[n-]nc(-c3ccccc3)o2)cc1 ZINC000508586460 1029932030 /nfs/dbraw/zinc/93/20/30/1029932030.db2.gz GYRBUIXYVJTOSP-UHFFFAOYSA-N -1 0 349.312 3.712 20 0 EHADRM Cc1cc(Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)ccc1CO ZINC001211584806 1029973517 /nfs/dbraw/zinc/97/35/17/1029973517.db2.gz AVYLJYGAKZFYPP-UHFFFAOYSA-N -1 0 343.404 3.631 20 0 EHADRM COCc1cc(NC(=O)c2cc3ccccc3o2)cc(C(=O)[O-])c1 ZINC000427676270 1030001596 /nfs/dbraw/zinc/00/15/96/1030001596.db2.gz FJICBWWOXIELEG-UHFFFAOYSA-N -1 0 325.320 3.530 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)cc1 ZINC000120485767 1030023650 /nfs/dbraw/zinc/02/36/50/1030023650.db2.gz UFZCKWUZRMVLQM-UHFFFAOYSA-N -1 0 341.791 3.791 20 0 EHADRM CCCOc1ccc(CN=c2[n-]nc(-c3ccccc3)o2)cc1OC ZINC000508591144 1030044941 /nfs/dbraw/zinc/04/49/41/1030044941.db2.gz WNMVAHANXKETBF-UHFFFAOYSA-N -1 0 339.395 3.568 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc1F ZINC000447267274 1030056058 /nfs/dbraw/zinc/05/60/58/1030056058.db2.gz MODQKDTVLAIJOA-UHFFFAOYSA-N -1 0 343.807 3.851 20 0 EHADRM C[C@@H](N=c1[n-]nc(-c2ccccc2)s1)c1ccc(-n2cccn2)cc1 ZINC000525758618 1030080031 /nfs/dbraw/zinc/08/00/31/1030080031.db2.gz XKJZLSDQLCRSSF-CQSZACIVSA-N -1 0 347.447 3.986 20 0 EHADRM CCSCc1ccnc([N-]S(=O)(=O)c2ccc(F)c(C)c2)c1 ZINC000090367887 1030105738 /nfs/dbraw/zinc/10/57/38/1030105738.db2.gz HLGVLEAKJHXQEH-UHFFFAOYSA-N -1 0 340.445 3.583 20 0 EHADRM O=S(=O)(CC1CCCC1)[N-][C@@H](C1CCCCC1)C(F)(F)F ZINC000541310379 1030181594 /nfs/dbraw/zinc/18/15/94/1030181594.db2.gz YOXNNRSUOAYWFZ-ZDUSSCGKSA-N -1 0 327.412 3.607 20 0 EHADRM CCOc1cc(C(=O)Nc2ccc(F)cc2F)cc(Cl)c1O ZINC000192584833 1030213903 /nfs/dbraw/zinc/21/39/03/1030213903.db2.gz FAARQLZVLZPUBW-UHFFFAOYSA-N -1 0 327.714 3.975 20 0 EHADRM CCC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2CC)cc1 ZINC000064467679 1030224606 /nfs/dbraw/zinc/22/46/06/1030224606.db2.gz KEKMILIQYOTWRT-UHFFFAOYSA-N -1 0 346.452 3.707 20 0 EHADRM O=C(Nc1cccc(F)c1F)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000447496923 1030228383 /nfs/dbraw/zinc/22/83/83/1030228383.db2.gz HSAPERNLVZWJBQ-UHFFFAOYSA-N -1 0 349.724 3.762 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N(C)[C@@H]2CCC(C)(C)C2)n1 ZINC000482173337 1030242447 /nfs/dbraw/zinc/24/24/47/1030242447.db2.gz BDLDQAWDXWWZDI-OAHLLOKOSA-N -1 0 341.455 3.791 20 0 EHADRM O=C(CSC1=Nc2ccccc2CS1)[N-]OCc1ccccc1 ZINC000052463391 1030247480 /nfs/dbraw/zinc/24/74/80/1030247480.db2.gz ITFHZRXIJPPKTL-UHFFFAOYSA-N -1 0 344.461 3.902 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCS[C@H]2CCCC[C@H]21 ZINC000158084745 1030264665 /nfs/dbraw/zinc/26/46/65/1030264665.db2.gz AKAYJJWBLVCPEL-OLZOCXBDSA-N -1 0 329.824 3.685 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)c2cc(C)cc(C)c2)s[n-]1 ZINC000472297475 1030380424 /nfs/dbraw/zinc/38/04/24/1030380424.db2.gz RLTBWZIUGGHTGY-UHFFFAOYSA-N -1 0 329.450 3.866 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)N[C@@H](CC3CC3)C(=O)[O-])ccc2o1 ZINC000583671667 1030418221 /nfs/dbraw/zinc/41/82/21/1030418221.db2.gz FXSJMCIHGUJMRR-ZDUSSCGKSA-N -1 0 345.399 3.500 20 0 EHADRM CCCSc1nc(=NC(=O)NCc2cc3ccccc3o2)s[n-]1 ZINC000532160685 1030453923 /nfs/dbraw/zinc/45/39/23/1030453923.db2.gz RYWLFCRAEJVNOA-UHFFFAOYSA-N -1 0 348.453 3.530 20 0 EHADRM Cc1ccc(Nc2ccc(OCC3CCOCC3)nc2)cc1C(=O)[O-] ZINC001211594298 1030475284 /nfs/dbraw/zinc/47/52/84/1030475284.db2.gz RIOZJTUBZUEFRT-UHFFFAOYSA-N -1 0 342.395 3.637 20 0 EHADRM CO[C@H]1CCOc2c([N-]S(=O)(=O)c3ccc(C)c(C)c3)cccc21 ZINC000447780743 1030479988 /nfs/dbraw/zinc/47/99/88/1030479988.db2.gz RMELTKOAAYOLJX-KRWDZBQOSA-N -1 0 347.436 3.574 20 0 EHADRM O=C(CCCC1CCCCC1)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000526956797 1030512548 /nfs/dbraw/zinc/51/25/48/1030512548.db2.gz SUHOMKHYODDEEI-UHFFFAOYSA-N -1 0 329.400 3.719 20 0 EHADRM Cc1cccc(F)c1NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000194456518 1030625404 /nfs/dbraw/zinc/62/54/04/1030625404.db2.gz UUFCDEQMXGQRSC-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N2CCC[C@H]2/C=C\c2ccccc2)CC1 ZINC000583755306 1030643986 /nfs/dbraw/zinc/64/39/86/1030643986.db2.gz LQDPNMRWQBSIAF-GGLRQFRZSA-N -1 0 341.451 3.972 20 0 EHADRM O=C(N=c1nc(-c2ccsc2)[n-]s1)N[C@@H]1CC12CCCCC2 ZINC000448001429 1030650956 /nfs/dbraw/zinc/65/09/56/1030650956.db2.gz QLZCBVJHYXAJBA-LLVKDONJSA-N -1 0 334.470 3.533 20 0 EHADRM C[C@H](NC(=O)N=c1nc(-c2ccsc2)[n-]s1)c1ccccc1 ZINC000448007010 1030661652 /nfs/dbraw/zinc/66/16/52/1030661652.db2.gz GFPGWJOFICDOQQ-JTQLQIEISA-N -1 0 330.438 3.571 20 0 EHADRM CN(C(=O)c1cccc(Br)c1[O-])c1ccc2cc[nH]c2c1 ZINC000527189351 1030704809 /nfs/dbraw/zinc/70/48/09/1030704809.db2.gz NXKYRPCEMJQLII-UHFFFAOYSA-N -1 0 345.196 3.913 20 0 EHADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000448153303 1030774291 /nfs/dbraw/zinc/77/42/91/1030774291.db2.gz DPQXQLCUUJHCKP-LLVKDONJSA-N -1 0 330.819 3.654 20 0 EHADRM CC[C@H]1CCCN1C(=O)N=c1[n-]nc(-c2cc3ccccc3o2)s1 ZINC000527309705 1030785201 /nfs/dbraw/zinc/78/52/01/1030785201.db2.gz HUTJFBGAIMEVDD-LBPRGKRZSA-N -1 0 342.424 3.780 20 0 EHADRM CC[C@@H](C)CN(CC)C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000194262986 1030830168 /nfs/dbraw/zinc/83/01/68/1030830168.db2.gz WOGTZKOJRZMSMD-GFCCVEGCSA-N -1 0 335.835 3.740 20 0 EHADRM Cc1ccc(Nc2cn3c(cccc3Br)n2)cc1C(=O)[O-] ZINC001211599774 1030872508 /nfs/dbraw/zinc/87/25/08/1030872508.db2.gz VWRRHUQXKXPKRJ-UHFFFAOYSA-N -1 0 346.184 3.847 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCc2[nH]c3ccccc3c2C1 ZINC000172321444 1030882923 /nfs/dbraw/zinc/88/29/23/1030882923.db2.gz AQQQWMPXFNKWLB-UHFFFAOYSA-N -1 0 349.415 3.796 20 0 EHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)Cc1ccc(Cl)cc1Cl ZINC000262813452 1030923943 /nfs/dbraw/zinc/92/39/43/1030923943.db2.gz BDJYGYAUCVKWPF-OAHLLOKOSA-N -1 0 332.227 3.542 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000448353863 1030977158 /nfs/dbraw/zinc/97/71/58/1030977158.db2.gz ZZSBVBMAEFAFLE-QGPMSJSTSA-N -1 0 336.439 3.750 20 0 EHADRM COc1ccc(CN=c2[n-]nc(SCCCCCF)s2)cc1 ZINC000551048320 1030979087 /nfs/dbraw/zinc/97/90/87/1030979087.db2.gz QBLKONAVNUDAIG-UHFFFAOYSA-N -1 0 341.477 3.813 20 0 EHADRM CC(C)(C)C[C@@H]1CCCN1C(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000448360963 1030988277 /nfs/dbraw/zinc/98/82/77/1030988277.db2.gz VNJXXHDVCYLEKH-INIZCTEOSA-N -1 0 338.455 3.998 20 0 EHADRM Cc1n[n-]c(=NCc2csc(-c3ccc(Cl)cc3)n2)n1C1CC1 ZINC000551090938 1031032404 /nfs/dbraw/zinc/03/24/04/1031032404.db2.gz JHTSCKVJSVJPSO-UHFFFAOYSA-N -1 0 345.859 3.732 20 0 EHADRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2c(C)noc2CC)c1 ZINC000551107752 1031039846 /nfs/dbraw/zinc/03/98/46/1031039846.db2.gz CAKGJRJMBYKTAQ-UHFFFAOYSA-N -1 0 342.848 3.952 20 0 EHADRM CCc1nc([C@@H](C)NC(=O)c2cc(F)cc(Cl)c2[O-])cs1 ZINC000151195224 1031085151 /nfs/dbraw/zinc/08/51/51/1031085151.db2.gz ILVYJSWITMBLQK-SSDOTTSWSA-N -1 0 328.796 3.695 20 0 EHADRM CC(=CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1 ZINC000065642721 1031085797 /nfs/dbraw/zinc/08/57/97/1031085797.db2.gz YXXKWPYSZVAVCZ-QBFSEMIESA-N -1 0 333.384 3.883 20 0 EHADRM CC(C)c1cc([N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)no1 ZINC000278507158 1031151744 /nfs/dbraw/zinc/15/17/44/1031151744.db2.gz OYVYGWNKRJYXLP-UHFFFAOYSA-N -1 0 332.784 3.532 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)Cc1cccc(C2CC2)c1)c1ccccc1 ZINC000668270287 1031352490 /nfs/dbraw/zinc/35/24/90/1031352490.db2.gz GCQHUGPWXRMMDE-IBGZPJMESA-N -1 0 337.419 3.829 20 0 EHADRM Cc1c(NC(=O)c2cccc([C@H]3CCCOC3)c2)cccc1C(=O)[O-] ZINC000668268050 1031352540 /nfs/dbraw/zinc/35/25/40/1031352540.db2.gz DZMOQJBKBNFTQB-INIZCTEOSA-N -1 0 339.391 3.840 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2cccc([C@H]3CCCOC3)c2)c1 ZINC000668277129 1031375967 /nfs/dbraw/zinc/37/59/67/1031375967.db2.gz AELFUFIGLIWISH-HNNXBMFYSA-N -1 0 343.354 3.670 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)NCC(C)(C)C(F)(F)F)s1 ZINC000584006323 1031395952 /nfs/dbraw/zinc/39/59/52/1031395952.db2.gz PXLDQDGOIJPCBC-UHFFFAOYSA-N -1 0 338.399 3.574 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)/C=C/c2cc(Cl)ccc2Cl)C1 ZINC000315583181 1031407902 /nfs/dbraw/zinc/40/79/02/1031407902.db2.gz IRKIALAYRYRCPJ-ZXCPCRMDSA-N -1 0 342.222 3.720 20 0 EHADRM CO[C@](C)(C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1)c1ccccc1F ZINC000668292435 1031410250 /nfs/dbraw/zinc/41/02/50/1031410250.db2.gz HCRZIRDCPSJKDN-BLVKFPJESA-N -1 0 345.370 3.514 20 0 EHADRM O=C([O-])C1(CC(=O)N2CCC[C@H](c3ccc(F)cc3)CC2)CCC1 ZINC000668313985 1031455126 /nfs/dbraw/zinc/45/51/26/1031455126.db2.gz FMJRNUJBPCKOAD-AWEZNQCLSA-N -1 0 333.403 3.567 20 0 EHADRM CCC(CC)(C(=O)N=c1ccc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000484127587 1031460604 /nfs/dbraw/zinc/46/06/04/1031460604.db2.gz HSDDOVSHHJLVCL-UHFFFAOYSA-N -1 0 337.345 3.614 20 0 EHADRM Cc1ccc(-c2noc(=N[C@@H](C)c3ccc4c(c3)CCC(=O)N4)[n-]2)cc1 ZINC000484107943 1031461170 /nfs/dbraw/zinc/46/11/70/1031461170.db2.gz MTOGGZYGDZXUBQ-ZDUSSCGKSA-N -1 0 348.406 3.525 20 0 EHADRM CC(C)(Cc1ccc(C(F)(F)F)cc1)NC(=O)CC(C)(C)C(=O)[O-] ZINC000668318268 1031466332 /nfs/dbraw/zinc/46/63/32/1031466332.db2.gz KBJYPBUXCRWRHK-UHFFFAOYSA-N -1 0 345.361 3.644 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1cc(C2CCCCC2)nn1C ZINC000477373765 1031500847 /nfs/dbraw/zinc/50/08/47/1031500847.db2.gz PHDMZEACAXISDY-UHFFFAOYSA-N -1 0 339.486 3.639 20 0 EHADRM CC[C@@H](C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl)[C@H](C)O ZINC000477390052 1031520311 /nfs/dbraw/zinc/52/03/11/1031520311.db2.gz CQHZZMWRLKCYGI-NTSWFWBYSA-N -1 0 326.607 3.698 20 0 EHADRM O=S(=O)([N-]c1cc(F)cc(Cl)c1)c1ccc(F)c(F)c1F ZINC000477429760 1031542705 /nfs/dbraw/zinc/54/27/05/1031542705.db2.gz DCPTZNNCPILFBH-UHFFFAOYSA-N -1 0 339.697 3.697 20 0 EHADRM CCOc1cc(C)ccc1CNC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000194830350 1031557875 /nfs/dbraw/zinc/55/78/75/1031557875.db2.gz GIWIOMOITWNLKF-UHFFFAOYSA-N -1 0 337.778 3.822 20 0 EHADRM COc1ccsc1CN[C@H](C(=O)[O-])c1ccc(Cl)c(C)c1 ZINC000904001919 1031588715 /nfs/dbraw/zinc/58/87/15/1031588715.db2.gz JYGZEKOWVHZZTO-AWEZNQCLSA-N -1 0 325.817 3.634 20 0 EHADRM COc1cncc(CNc2ccc(S[C@@H](C)C(=O)[O-])cc2)c1C ZINC000904019040 1031608328 /nfs/dbraw/zinc/60/83/28/1031608328.db2.gz WVPOWFPDVQJDOS-LBPRGKRZSA-N -1 0 332.425 3.576 20 0 EHADRM Cc1ccsc1-c1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)c(C)c1 ZINC000584064526 1031615885 /nfs/dbraw/zinc/61/58/85/1031615885.db2.gz FWGGZYSUSWKAAX-HNNXBMFYSA-N -1 0 343.448 3.969 20 0 EHADRM CC(C)Oc1c(NCc2cccc3c2CCOC3)cccc1C(=O)[O-] ZINC000904010736 1031628492 /nfs/dbraw/zinc/62/84/92/1031628492.db2.gz NOICUFXOOAPEGE-UHFFFAOYSA-N -1 0 341.407 3.857 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)N=c2[n-]nc(C3CC3)s2)c1C1CC1 ZINC000551800458 1031659870 /nfs/dbraw/zinc/65/98/70/1031659870.db2.gz FILPEPOGONYQBE-VIFPVBQESA-N -1 0 346.460 3.526 20 0 EHADRM CC[C@@H](C)n1ncc(NC(=O)N=c2[n-]nc(C3CC3)s2)c1C1CC1 ZINC000551800457 1031660172 /nfs/dbraw/zinc/66/01/72/1031660172.db2.gz FILPEPOGONYQBE-SECBINFHSA-N -1 0 346.460 3.526 20 0 EHADRM COC1([C@H](NCc2ccc(-c3ccc(F)cc3C)o2)C(=O)[O-])CCC1 ZINC000904051501 1031674629 /nfs/dbraw/zinc/67/46/29/1031674629.db2.gz WFUABKVASVPVNJ-QGZVFWFLSA-N -1 0 347.386 3.506 20 0 EHADRM CC[C@H](NCc1cccc(OC(C)(C)C)c1)c1nc(C(=O)[O-])c[nH]1 ZINC000904063745 1031689488 /nfs/dbraw/zinc/68/94/88/1031689488.db2.gz CKPMGPZDQJGLHS-AWEZNQCLSA-N -1 0 331.416 3.526 20 0 EHADRM CC[C@H](NCc1ccc(SC(F)F)cc1)c1nc(C(=O)[O-])c[nH]1 ZINC000904066146 1031692582 /nfs/dbraw/zinc/69/25/82/1031692582.db2.gz YUJTYSLCKWTVPH-NSHDSACASA-N -1 0 341.383 3.664 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)cc1Cl ZINC000475737790 1031702947 /nfs/dbraw/zinc/70/29/47/1031702947.db2.gz FMLVLEYPRZJBDX-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM O=C(Nc1cc(Br)ccc1O)c1ccc([O-])c(Cl)c1 ZINC000085591460 1031752950 /nfs/dbraw/zinc/75/29/50/1031752950.db2.gz KZSKVOIMVQAHNO-UHFFFAOYSA-N -1 0 342.576 3.766 20 0 EHADRM OCC[C@H](N=c1nc(C2CC2)[n-]s1)c1ccc(Cl)c(Cl)c1 ZINC000343640702 1031758205 /nfs/dbraw/zinc/75/82/05/1031758205.db2.gz YUIBRLHNQCWXDQ-LBPRGKRZSA-N -1 0 344.267 3.680 20 0 EHADRM CCO[C@@H]1C[C@@H](NC(=O)c2cc(F)c(F)c([O-])c2F)C1(CC)CC ZINC000180126909 1031803387 /nfs/dbraw/zinc/80/33/87/1031803387.db2.gz ASAPYJNJSCMTJE-VXGBXAGGSA-N -1 0 345.361 3.523 20 0 EHADRM COCCN(Cc1cccs1)Cc1cccc(C(=O)[O-])c1Cl ZINC000565106907 1031827769 /nfs/dbraw/zinc/82/77/69/1031827769.db2.gz ZOUOBUAPFKPINP-UHFFFAOYSA-N -1 0 339.844 3.748 20 0 EHADRM O=C([O-])N[C@H]1C[C@@H](Nc2cccc(OC(F)(F)F)c2)C12CCC2 ZINC000904195963 1031843405 /nfs/dbraw/zinc/84/34/05/1031843405.db2.gz ZCBNAKUKUABTSV-NEPJUHHUSA-N -1 0 330.306 3.576 20 0 EHADRM CCCC(=O)Nc1cccc(N[C@@H]2C[C@@H](NC(=O)[O-])C23CCC3)c1C ZINC000904200307 1031848292 /nfs/dbraw/zinc/84/82/92/1031848292.db2.gz XKHAMOVKQFKDJA-HZPDHXFCSA-N -1 0 345.443 3.724 20 0 EHADRM O=C([O-])N[C@H]1C[C@H](Nc2ccc(N3CCCCC3)c(F)c2)C12CCC2 ZINC000904256678 1031905568 /nfs/dbraw/zinc/90/55/68/1031905568.db2.gz FRVAHOHDWJFQNU-IRXDYDNUSA-N -1 0 347.434 3.807 20 0 EHADRM COc1cc(N[C@H]2C[C@H](NC(=O)[O-])C23CCC3)cc2ccccc21 ZINC000904261522 1031907805 /nfs/dbraw/zinc/90/78/05/1031907805.db2.gz FBXTZMCYEQWBLC-IRXDYDNUSA-N -1 0 326.396 3.839 20 0 EHADRM O=C(Nc1cccc(C(F)F)c1)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000181012979 1031936098 /nfs/dbraw/zinc/93/60/98/1031936098.db2.gz KIGOLXCJPMAIIK-UHFFFAOYSA-N -1 0 347.296 3.907 20 0 EHADRM O=C([O-])CC1(NC(=O)CCc2cccc(C(F)(F)F)c2)CCCC1 ZINC000448992081 1031998545 /nfs/dbraw/zinc/99/85/45/1031998545.db2.gz KFZDINLACOWPJY-UHFFFAOYSA-N -1 0 343.345 3.542 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(OC3CCCCC3)cc2)CC[C@@H]1C(=O)[O-] ZINC000448999816 1032008326 /nfs/dbraw/zinc/00/83/26/1032008326.db2.gz IXPBFXRIBYHZKM-KSSFIOAISA-N -1 0 345.439 3.581 20 0 EHADRM CC(C)c1ccsc1C(=O)NC[C@@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC000449000625 1032010424 /nfs/dbraw/zinc/01/04/24/1032010424.db2.gz YKKIZVHGDPGHOD-GOSISDBHSA-N -1 0 349.427 3.783 20 0 EHADRM COC(=O)c1oc([C@H](C)Sc2nc(C3CC3)cc(=O)[nH]2)cc1C ZINC000195081654 1032025393 /nfs/dbraw/zinc/02/53/93/1032025393.db2.gz YHWBVVSYUUZWBX-VIFPVBQESA-N -1 0 334.397 3.601 20 0 EHADRM O=C(NC[C@H]1OCCc2ccccc21)c1ccc2ccccc2c1O ZINC000603131931 1033377103 /nfs/dbraw/zinc/37/71/03/1033377103.db2.gz RQLPESGEBCWBDJ-LJQANCHMSA-N -1 0 333.387 3.589 20 0 EHADRM CCCCc1n[n-]c(=NCc2cc(Cl)ccc2OC(F)F)o1 ZINC000537490849 1033377994 /nfs/dbraw/zinc/37/79/94/1033377994.db2.gz RHZIZAHVNCGKKL-UHFFFAOYSA-N -1 0 331.750 3.701 20 0 EHADRM COc1ccc(C)cc1CN=c1[n-]nc(Cc2ccc(Cl)cc2)o1 ZINC000537490182 1033390659 /nfs/dbraw/zinc/39/06/59/1033390659.db2.gz FILNMQMLBVGGKT-UHFFFAOYSA-N -1 0 343.814 3.665 20 0 EHADRM Cc1c(C(F)(F)F)[n-][nH]c1=NC(=O)[C@H](C)c1cccc(Cl)c1 ZINC000607895819 1033395695 /nfs/dbraw/zinc/39/56/95/1033395695.db2.gz AVHHNRAAIXAIGK-SSDOTTSWSA-N -1 0 331.725 3.554 20 0 EHADRM FC(F)Oc1ccc(CN=c2[n-]nc(Cc3ccccc3)s2)cc1 ZINC000544069243 1033416648 /nfs/dbraw/zinc/41/66/48/1033416648.db2.gz RTRCPVRFYWWJRM-UHFFFAOYSA-N -1 0 347.390 3.764 20 0 EHADRM CCCC[C@H](CC)COCCCNc1cccc(S(=O)(=O)[O-])c1 ZINC001168114454 1033575427 /nfs/dbraw/zinc/57/54/27/1033575427.db2.gz CHVWVLSRSBJWNT-HNNXBMFYSA-N -1 0 343.489 3.968 20 0 EHADRM CCOC(=O)CCc1cccc(Nc2ccc(C(=O)[O-])cc2C)c1 ZINC001211626637 1033594938 /nfs/dbraw/zinc/59/49/38/1033594938.db2.gz PJUXYYWLDSZGFS-UHFFFAOYSA-N -1 0 327.380 3.933 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC[C@@H]3C3CC3)n2)cc1 ZINC000608361014 1033634489 /nfs/dbraw/zinc/63/44/89/1033634489.db2.gz AOPQXJCXWUSDQG-QGZVFWFLSA-N -1 0 339.439 3.716 20 0 EHADRM O=C(c1cc(Br)c(F)cc1[O-])N1C[C@@H]2CCCC[C@@H]2C1 ZINC000450066893 1033706844 /nfs/dbraw/zinc/70/68/44/1033706844.db2.gz NPLZSAZAFUGSHY-AOOOYVTPSA-N -1 0 342.208 3.556 20 0 EHADRM CCc1cc(C(=O)N[C@H](C)c2ccc(OCC(=O)[O-])cc2)sc1C ZINC000455879602 1033769892 /nfs/dbraw/zinc/76/98/92/1033769892.db2.gz CNGCQVWKVTWQBM-LLVKDONJSA-N -1 0 347.436 3.573 20 0 EHADRM Cc1ccc(-c2nc(CN=c3[n-]c(-c4ccccc4)no3)co2)cc1 ZINC000608754023 1033863797 /nfs/dbraw/zinc/86/37/97/1033863797.db2.gz PTFZUTPZTFFOGT-UHFFFAOYSA-N -1 0 332.363 3.734 20 0 EHADRM CC[C@@H]1CCCCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000084406641 1033914153 /nfs/dbraw/zinc/91/41/53/1033914153.db2.gz ZOZLFFDBTPQXSE-CQSZACIVSA-N -1 0 331.391 3.512 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C)c1 ZINC000055567507 1033966425 /nfs/dbraw/zinc/96/64/25/1033966425.db2.gz WLFZMFZYKXYLJO-UHFFFAOYSA-N -1 0 348.443 3.844 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)c1 ZINC000055586224 1033968070 /nfs/dbraw/zinc/96/80/70/1033968070.db2.gz UPDXSUIHGQJMKN-UHFFFAOYSA-N -1 0 346.383 3.954 20 0 EHADRM CCc1oncc1[N-]S(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000548861414 1034035850 /nfs/dbraw/zinc/03/58/50/1034035850.db2.gz PNMBKRQMWOGZAY-UHFFFAOYSA-N -1 0 340.404 3.609 20 0 EHADRM CSCc1ccc(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)cc1 ZINC000596057827 1034057233 /nfs/dbraw/zinc/05/72/33/1034057233.db2.gz BREHXKCRYJNLPQ-AWEZNQCLSA-N -1 0 338.473 3.808 20 0 EHADRM CCOC(=O)c1csc(=NCc2cccc(COC(C)(C)C)c2)[n-]1 ZINC000450305302 1034061574 /nfs/dbraw/zinc/06/15/74/1034061574.db2.gz WDOTTYFQPTUXLU-UHFFFAOYSA-N -1 0 348.468 3.669 20 0 EHADRM CN(Cc1ccccc1C(F)(F)F)C(=O)c1c([O-])cccc1F ZINC000119053743 1034073979 /nfs/dbraw/zinc/07/39/79/1034073979.db2.gz FSOSTRQSKOLFEV-UHFFFAOYSA-N -1 0 327.277 3.822 20 0 EHADRM CCCCOc1ccc(/C=C/c2cc(C(=O)[O-])ncn2)cc1OC ZINC000534145837 1034165056 /nfs/dbraw/zinc/16/50/56/1034165056.db2.gz WCLMGCHKKKXWNN-FNORWQNLSA-N -1 0 328.368 3.533 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c(O)c1 ZINC000119514450 1034178481 /nfs/dbraw/zinc/17/84/81/1034178481.db2.gz YPXGRKZDQIQLHD-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM O=C(Nc1cc(Br)cc(Cl)c1[O-])[C@H]1[C@@H]2CCC[C@@H]21 ZINC000534206981 1034234339 /nfs/dbraw/zinc/23/43/39/1034234339.db2.gz KDCSDBDQRVSLFE-VROVMSAKSA-N -1 0 330.609 3.793 20 0 EHADRM COC[C@@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000171252704 1034277534 /nfs/dbraw/zinc/27/75/34/1034277534.db2.gz NXZMNUCVHLDAJD-UHPUNMKFSA-N -1 0 334.759 3.760 20 0 EHADRM Cc1cc(=NC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)[n-]nc1C ZINC000604233254 1034288968 /nfs/dbraw/zinc/28/89/68/1034288968.db2.gz IHPNQADHHSDTGF-RYUDHWBXSA-N -1 0 336.222 3.564 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)C[C@H](c2ccccc2)C(C)C)c1 ZINC000171400964 1034374303 /nfs/dbraw/zinc/37/43/03/1034374303.db2.gz CHEVPWGZIVLYMW-SFHVURJKSA-N -1 0 345.464 3.630 20 0 EHADRM COc1ccc([C@H]([N-]C(=O)C(F)(F)F)c2ccc(F)cc2)cc1 ZINC000171465758 1034394785 /nfs/dbraw/zinc/39/47/85/1034394785.db2.gz DKYKRKZBQPXHPS-CQSZACIVSA-N -1 0 327.277 3.602 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)s2)s1 ZINC000534332076 1034406631 /nfs/dbraw/zinc/40/66/31/1034406631.db2.gz RCEYCHLEUPTHOV-UHFFFAOYSA-N -1 0 336.463 3.981 20 0 EHADRM Cc1cc(NC(=O)C2(Oc3ccccc3F)CC2)cc(C(=O)[O-])c1C ZINC000450509090 1034447521 /nfs/dbraw/zinc/44/75/21/1034447521.db2.gz HMFTYEIIDYXWAL-UHFFFAOYSA-N -1 0 343.354 3.691 20 0 EHADRM C[C@H](CC(=O)N=c1nc(C2(C)CC2)[n-]s1)c1c[nH]c2ccccc21 ZINC000529697809 1034447847 /nfs/dbraw/zinc/44/78/47/1034447847.db2.gz JHJYCQQHEJEYOU-LLVKDONJSA-N -1 0 340.452 3.625 20 0 EHADRM Cc1nc(C2CCCC2)sc1C(=O)N=c1nc(C2(C)CC2)[n-]s1 ZINC000529700326 1034448794 /nfs/dbraw/zinc/44/87/94/1034448794.db2.gz YGUKZBKXIAIZDZ-UHFFFAOYSA-N -1 0 348.497 3.686 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N=c1nc(C2(C)CC2)[n-]s1 ZINC000529704504 1034454517 /nfs/dbraw/zinc/45/45/17/1034454517.db2.gz MJVYDTSXWJHDFC-UHFFFAOYSA-N -1 0 327.409 3.627 20 0 EHADRM CC(C)c1n[n-]c(=N[C@@H](C)c2ccc(Br)cc2F)o1 ZINC000450530028 1034489774 /nfs/dbraw/zinc/48/97/74/1034489774.db2.gz BQECWUFIEYTZQS-QMMMGPOBSA-N -1 0 328.185 3.690 20 0 EHADRM CCOc1ccc(NS(=O)(=O)c2cc(F)cc(Cl)c2)c(C)c1 ZINC000534400848 1034495379 /nfs/dbraw/zinc/49/53/79/1034495379.db2.gz BTZZAVOOLUTLSL-UHFFFAOYSA-N -1 0 343.807 3.987 20 0 EHADRM COCOc1ccc(Nc2c(Cl)c(F)[n-]c(=O)c2Cl)cc1 ZINC001211631577 1034497063 /nfs/dbraw/zinc/49/70/63/1034497063.db2.gz VYABOOHXZBMZFM-UHFFFAOYSA-N -1 0 333.146 3.959 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000450543959 1034500554 /nfs/dbraw/zinc/50/05/54/1034500554.db2.gz LTWAOSMYRKBOMZ-UHFFFAOYSA-N -1 0 341.810 3.772 20 0 EHADRM CO[C@H]1CCN(Cc2cc(Cl)c([O-])c(Br)c2)[C@@H](C)C1 ZINC001231749693 1034512309 /nfs/dbraw/zinc/51/23/09/1034512309.db2.gz PFYBJSOIKLYDLK-ONGXEEELSA-N -1 0 348.668 3.807 20 0 EHADRM CC1(C)CN(C(=O)c2ccc(C(=O)[O-])s2)C[C@@H]1c1ccccc1 ZINC000450537350 1034512816 /nfs/dbraw/zinc/51/28/16/1034512816.db2.gz COWMLIDAULWFKV-CYBMUJFWSA-N -1 0 329.421 3.712 20 0 EHADRM CC(C)CCC(=O)NCC(=O)Nc1cc(Cl)c(O)c2ccccc12 ZINC000628233198 1034553849 /nfs/dbraw/zinc/55/38/49/1034553849.db2.gz NWIYEXJDFOJTLE-UHFFFAOYSA-N -1 0 348.830 3.690 20 0 EHADRM O=C([O-])c1cnc(N2CCC(OC3CCCCC3)CC2)c(Cl)c1 ZINC000647456315 1034588925 /nfs/dbraw/zinc/58/89/25/1034588925.db2.gz HYLNCQALFHOOHK-UHFFFAOYSA-N -1 0 338.835 3.751 20 0 EHADRM CC1(C(=O)[O-])CCN(c2nnc(-c3ccccc3Cl)s2)CC1 ZINC000647457657 1034593372 /nfs/dbraw/zinc/59/33/72/1034593372.db2.gz VAXYXOWYVKKPHA-UHFFFAOYSA-N -1 0 337.832 3.550 20 0 EHADRM CC[C@@H]1CCCN(C(=O)c2cccc(Br)c2[O-])CC1 ZINC000605022530 1034596072 /nfs/dbraw/zinc/59/60/72/1034596072.db2.gz KATFYRHKNHNXNA-LLVKDONJSA-N -1 0 326.234 3.807 20 0 EHADRM CC[C@@H]1CCCN(C(=O)N=c2[n-]nc(Cc3ccccc3)s2)CC1 ZINC000605027371 1034599921 /nfs/dbraw/zinc/59/99/21/1034599921.db2.gz NDFPTOHXJXMBTC-CQSZACIVSA-N -1 0 344.484 3.595 20 0 EHADRM Cn1ncc(C(=O)[O-])c1-c1cc(F)cc(COC2CCCCC2)c1 ZINC000517395302 1034603130 /nfs/dbraw/zinc/60/31/30/1034603130.db2.gz FOKQEZBXTDZTEO-UHFFFAOYSA-N -1 0 332.375 3.774 20 0 EHADRM Cc1ccc(Oc2ccccc2[N-]S(=O)(=O)C[C@@H]2CCCO2)cc1 ZINC000605291517 1034675192 /nfs/dbraw/zinc/67/51/92/1034675192.db2.gz ZWFKHWZKXPHISG-INIZCTEOSA-N -1 0 347.436 3.708 20 0 EHADRM C[C@@H](NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])c1cc2ccccc2s1 ZINC000601983355 1034846893 /nfs/dbraw/zinc/84/68/93/1034846893.db2.gz KZTXSBJTKIFNJW-VWYCJHECSA-N -1 0 337.466 3.673 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)c(C)c1 ZINC000511349069 1034881437 /nfs/dbraw/zinc/88/14/37/1034881437.db2.gz CHBPFLDUKXIFPY-UHFFFAOYSA-N -1 0 328.393 3.759 20 0 EHADRM COCCc1nc(=N[C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)s[n-]1 ZINC000450951215 1034972844 /nfs/dbraw/zinc/97/28/44/1034972844.db2.gz PGWBRMWDXKJNRE-TZMCWYRMSA-N -1 0 337.876 3.551 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cc(F)ccc2OCC2CC2)CCCCC1 ZINC000570020228 1034980872 /nfs/dbraw/zinc/98/08/72/1034980872.db2.gz FNGIMBJVSNWQNK-UHFFFAOYSA-N -1 0 349.402 3.978 20 0 EHADRM Cc1cccc(S(=O)(=O)Nc2cccc(C3CCOCC3)c2)c1 ZINC000530144275 1035005316 /nfs/dbraw/zinc/00/53/16/1035005316.db2.gz FAUJGWCPQMBHNF-UHFFFAOYSA-N -1 0 331.437 3.690 20 0 EHADRM O=C([O-])c1cccc(-c2nc(CN3CCC(F)(F)CC3)cs2)c1 ZINC000530172108 1035026404 /nfs/dbraw/zinc/02/64/04/1035026404.db2.gz IWELAECYDFAGKE-UHFFFAOYSA-N -1 0 338.379 3.739 20 0 EHADRM C[C@@H]1CCC[C@@H](C)N(C(=O)N=c2nc(-c3ccccc3)[n-]s2)C1 ZINC000475668474 1035028294 /nfs/dbraw/zinc/02/82/94/1035028294.db2.gz RQCFKRNFEBHDOK-CHWSQXEVSA-N -1 0 330.457 3.669 20 0 EHADRM CCc1c(C(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)cnn1CC(C)C ZINC000431666090 1035129413 /nfs/dbraw/zinc/12/94/13/1035129413.db2.gz RTZWKYHCGKEBKG-UHFFFAOYSA-N -1 0 343.427 3.669 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)c2ccc3c4c(cccc42)CC3)c1 ZINC000431682935 1035216161 /nfs/dbraw/zinc/21/61/61/1035216161.db2.gz BPUKZOJIKAZHQA-UHFFFAOYSA-N -1 0 347.370 3.654 20 0 EHADRM Cn1ncc(C2CCC2)c1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000613183185 1035440663 /nfs/dbraw/zinc/44/06/63/1035440663.db2.gz PNJORIKEYZLLAB-UHFFFAOYSA-N -1 0 340.210 3.952 20 0 EHADRM FC(F)(F)c1nc(=N[C@H](c2nccs2)c2ccccc2)s[n-]1 ZINC000376230505 1035477060 /nfs/dbraw/zinc/47/70/60/1035477060.db2.gz PFOMPNVERGZHDS-VIFPVBQESA-N -1 0 342.371 3.637 20 0 EHADRM Cc1cccnc1CCCNC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1 ZINC000414090606 1035477676 /nfs/dbraw/zinc/47/76/76/1035477676.db2.gz KWZNMYYGMWDQQE-HXUWFJFHSA-N -1 0 346.471 3.500 20 0 EHADRM O=S(=O)(C=C([O-])c1ccccc1F)c1cccc(C(F)(F)F)c1 ZINC000172358625 1035501231 /nfs/dbraw/zinc/50/12/31/1035501231.db2.gz PCMIWSTVIKTTJZ-UHFFFAOYSA-N -1 0 346.301 3.501 20 0 EHADRM CCc1ccc(CC)c(NC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c1 ZINC000571506555 1035513263 /nfs/dbraw/zinc/51/32/63/1035513263.db2.gz JCJKWYPYDPPOSV-HNAYVOBHSA-N -1 0 330.428 3.530 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000431793450 1035530587 /nfs/dbraw/zinc/53/05/87/1035530587.db2.gz YYDQYWCSCHFKTL-HNNXBMFYSA-N -1 0 349.430 3.975 20 0 EHADRM CCOc1ccc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)c(F)c1 ZINC000414109135 1035538793 /nfs/dbraw/zinc/53/87/93/1035538793.db2.gz UOTKTZQTKDKQLB-IBGZPJMESA-N -1 0 345.370 3.596 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)c2cc(C)n(C3CCCCC3)n2)s1 ZINC000540649743 1035539648 /nfs/dbraw/zinc/53/96/48/1035539648.db2.gz BYMKWLLQNLBXJE-UHFFFAOYSA-N -1 0 347.488 3.565 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000463481721 1035547757 /nfs/dbraw/zinc/54/77/57/1035547757.db2.gz PAHAUCWLBVEZKQ-NSHDSACASA-N -1 0 335.448 3.604 20 0 EHADRM CCOc1ccc(NC(=O)CC2(CC(=O)[O-])CCCCC2)c(F)c1 ZINC000414112337 1035568689 /nfs/dbraw/zinc/56/86/89/1035568689.db2.gz XZPFKJXOJGAPOS-UHFFFAOYSA-N -1 0 337.391 3.978 20 0 EHADRM O=S(=O)([N-]c1cnoc1-c1ccccc1)c1cc2ccccc2o1 ZINC000540698378 1035599103 /nfs/dbraw/zinc/59/91/03/1035599103.db2.gz MYFPPSDOOWCBDK-UHFFFAOYSA-N -1 0 340.360 3.889 20 0 EHADRM Clc1ccc(CN=c2[n-]nc(CCCc3ccccc3)o2)s1 ZINC000540791267 1035685575 /nfs/dbraw/zinc/68/55/75/1035685575.db2.gz NOQCIILSCJKURA-UHFFFAOYSA-N -1 0 333.844 3.994 20 0 EHADRM O=C(N=c1ccc(C(F)(F)F)n[n-]1)N[C@@H]1CCCCC12CCCC2 ZINC000463672893 1035730433 /nfs/dbraw/zinc/73/04/33/1035730433.db2.gz MMPGNERHORAJKI-LLVKDONJSA-N -1 0 342.365 3.542 20 0 EHADRM COc1ccc2ccccc2c1CN=c1[n-]c(-c2ccccc2)no1 ZINC000588160215 1035732914 /nfs/dbraw/zinc/73/29/14/1035732914.db2.gz PLBRBNZFGVTYGW-UHFFFAOYSA-N -1 0 331.375 3.932 20 0 EHADRM COCc1n[n-]c(=NCc2c(OC(C)C)ccc3ccccc32)s1 ZINC000463749466 1035810535 /nfs/dbraw/zinc/81/05/35/1035810535.db2.gz IJVNKZOOEANMDA-UHFFFAOYSA-N -1 0 343.452 3.659 20 0 EHADRM CC[C@H](C)[C@H]1CCCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000540928057 1035816926 /nfs/dbraw/zinc/81/69/26/1035816926.db2.gz GMDHWLDBZKKWQL-XJKSGUPXSA-N -1 0 345.418 3.758 20 0 EHADRM Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)CCc1ccccc1 ZINC000463787763 1035853847 /nfs/dbraw/zinc/85/38/47/1035853847.db2.gz OZKVLLQECLLITR-UHFFFAOYSA-N -1 0 342.420 3.634 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3ccncc32)c1 ZINC000535025398 1035929571 /nfs/dbraw/zinc/92/95/71/1035929571.db2.gz AOLYXBPZYPNQFK-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1cccc(-c2cccc(CNC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])c2)c1 ZINC000588689190 1035974610 /nfs/dbraw/zinc/97/46/10/1035974610.db2.gz ZRLRLBOVCDYELH-PMACEKPBSA-N -1 0 349.430 3.945 20 0 EHADRM CCC[C@@]1(C(=O)[O-])CCCN1C(=O)Nc1cc(OC)ccc1Cl ZINC000324053533 1035982430 /nfs/dbraw/zinc/98/24/30/1035982430.db2.gz HBRBSYUFHUZHMB-INIZCTEOSA-N -1 0 340.807 3.600 20 0 EHADRM C/C=C\C[C@H](NC(=O)Nc1ccc(OC2CCCC2)cc1)C(=O)[O-] ZINC000572198963 1036039482 /nfs/dbraw/zinc/03/94/82/1036039482.db2.gz YHTOKTTURKUNSH-YPQKKHBXSA-N -1 0 332.400 3.549 20 0 EHADRM CC(C)COc1ccc(C(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC000392745551 1036045523 /nfs/dbraw/zinc/04/55/23/1036045523.db2.gz NRHOGCDROMXZAZ-UHFFFAOYSA-N -1 0 341.407 3.991 20 0 EHADRM Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)C(C)(C)C(=O)[O-] ZINC000572290362 1036056814 /nfs/dbraw/zinc/05/68/14/1036056814.db2.gz OZVUEKMQDHTOFF-LBPRGKRZSA-N -1 0 346.452 3.715 20 0 EHADRM FC(F)(F)Cc1cccc(N=c2[n-]nc(-c3ccccn3)s2)c1 ZINC000572276698 1036069598 /nfs/dbraw/zinc/06/95/98/1036069598.db2.gz ZVJARWDMWPEAKY-UHFFFAOYSA-N -1 0 336.342 3.870 20 0 EHADRM CC(C)N(CCc1nccs1)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000123535355 1036097230 /nfs/dbraw/zinc/09/72/30/1036097230.db2.gz CIDIRFBTVOYXFE-UHFFFAOYSA-N -1 0 342.823 3.735 20 0 EHADRM CCn1cc(-c2cc(F)ccc2OC[C@@H]2CCCCO2)cc1C(=O)[O-] ZINC000572498021 1036117187 /nfs/dbraw/zinc/11/71/87/1036117187.db2.gz GPNSRNDUSIPMMN-HNNXBMFYSA-N -1 0 347.386 3.960 20 0 EHADRM CC[C@H](CNC(=O)c1ccc([O-])c(Cl)c1)Oc1ccccc1F ZINC000174997367 1036146781 /nfs/dbraw/zinc/14/67/81/1036146781.db2.gz KGBJYJUWLBNBGY-GFCCVEGCSA-N -1 0 337.778 3.772 20 0 EHADRM O=C1C[C@H](Oc2c([O-])c(Cl)c(Cl)c(Cl)c2Cl)CCN1 ZINC001218203303 1036249804 /nfs/dbraw/zinc/24/98/04/1036249804.db2.gz XMRNQCFIMMVBEB-SCSAIBSYSA-N -1 0 345.009 3.663 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)/C=C\c2cc3ccccc3o2)C1 ZINC000492849041 1036344098 /nfs/dbraw/zinc/34/40/98/1036344098.db2.gz AXSINVMYGPPDPR-CKXPSTMWSA-N -1 0 327.380 3.549 20 0 EHADRM CCCCOc1ccccc1CN=c1[n-]nc(Cc2ccsc2)o1 ZINC000464336203 1036361865 /nfs/dbraw/zinc/36/18/65/1036361865.db2.gz KXWCDQYGXSDETH-UHFFFAOYSA-N -1 0 343.452 3.935 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)N(c2ccccc2)c2ccccc2)C1 ZINC000263145559 1036393021 /nfs/dbraw/zinc/39/30/21/1036393021.db2.gz HCDKRWQPUKZIHI-HZPDHXFCSA-N -1 0 338.407 3.987 20 0 EHADRM CCOc1ccc(NC(=O)c2nn(-c3ccccc3)cc2[O-])c(C)c1 ZINC000175566361 1036407952 /nfs/dbraw/zinc/40/79/52/1036407952.db2.gz RZJNBTPRZQCGPZ-UHFFFAOYSA-N -1 0 337.379 3.537 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cncc3ccccc32)c1 ZINC000535386971 1036431097 /nfs/dbraw/zinc/43/10/97/1036431097.db2.gz UQNHNXIIKOMSJR-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C)c(Cl)c1 ZINC000572676127 1036455124 /nfs/dbraw/zinc/45/51/24/1036455124.db2.gz NZRZXLNFSXAIME-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM O=C(Nc1ccc(C(=O)NC2CC2)cc1)Nc1ccc(O)c(Cl)c1 ZINC000192187263 1036485013 /nfs/dbraw/zinc/48/50/13/1036485013.db2.gz QTZFGZDVJDQYDU-UHFFFAOYSA-N -1 0 345.786 3.582 20 0 EHADRM COC[C@@H](C)Oc1cccc(-c2cccc(C3(C(=O)[O-])CC3)c2)c1 ZINC000572781701 1036497376 /nfs/dbraw/zinc/49/73/76/1036497376.db2.gz YYTNKNTYVSVZPB-CQSZACIVSA-N -1 0 326.392 3.884 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1cnc(C(F)(F)F)cc1C ZINC000685902383 1036520835 /nfs/dbraw/zinc/52/08/35/1036520835.db2.gz IAQGNTAJDGSBFL-UHFFFAOYSA-N -1 0 344.358 3.772 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653533823 1036521802 /nfs/dbraw/zinc/52/18/02/1036521802.db2.gz HYXBCESSWUTPPT-WCFLWFBJSA-N -1 0 338.835 3.905 20 0 EHADRM COc1c(Cl)cccc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000541679330 1036554602 /nfs/dbraw/zinc/55/46/02/1036554602.db2.gz RRXXLYKPWFMJHC-UHFFFAOYSA-N -1 0 331.677 3.724 20 0 EHADRM CC(C)OC(=O)c1cc(NC(=O)c2cc(Cl)sc2Cl)[nH]n1 ZINC000888117719 1036630683 /nfs/dbraw/zinc/63/06/83/1036630683.db2.gz RYDSZHJYRLRHFV-UHFFFAOYSA-N -1 0 348.211 3.596 20 0 EHADRM Fc1cccc(N=c2[n-]nc(SCC[C@@H]3CCCCO3)s2)c1 ZINC000541781142 1036634779 /nfs/dbraw/zinc/63/47/79/1036634779.db2.gz NHGKYWMXJYTXRK-ZDUSSCGKSA-N -1 0 339.461 3.894 20 0 EHADRM CCC1CCC(N(C)C(=O)N=c2ncn(C3CCCCC3)[n-]2)CC1 ZINC000541790086 1036648417 /nfs/dbraw/zinc/64/84/17/1036648417.db2.gz BCDDIGUNNKDBEU-UHFFFAOYSA-N -1 0 333.480 3.638 20 0 EHADRM O=C(C=C(C1CC1)C1CC1)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000054422215 1036658564 /nfs/dbraw/zinc/65/85/64/1036658564.db2.gz PBRVUAXLBUEFPA-UHFFFAOYSA-N -1 0 325.817 3.732 20 0 EHADRM FC(F)(F)c1n[n-]c(=NCc2cc(Cl)cc(Cl)c2)s1 ZINC000541825486 1036679754 /nfs/dbraw/zinc/67/97/54/1036679754.db2.gz HPPSQQXKHJBGPA-UHFFFAOYSA-N -1 0 328.146 3.898 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N([C@@H](C)C2CC2)C2CC2)n1 ZINC000666278537 1036734604 /nfs/dbraw/zinc/73/46/04/1036734604.db2.gz PPXOOCQTZLKYKW-ZDUSSCGKSA-N -1 0 339.439 3.543 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)NCc2ccc(C(F)F)cc2)s[n-]1 ZINC000462265112 1036761439 /nfs/dbraw/zinc/76/14/39/1036761439.db2.gz GIDXQUGUNNODAN-UHFFFAOYSA-N -1 0 340.399 3.517 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CNCc2ncc(Br)cc2[O-])o1 ZINC000892623675 1036768898 /nfs/dbraw/zinc/76/88/98/1036768898.db2.gz ZCOXNPAHFVBRJL-JOYOIKCWSA-N -1 0 337.217 3.556 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)cc1 ZINC000263358228 1036805112 /nfs/dbraw/zinc/80/51/12/1036805112.db2.gz XPXAYPYXSGZVOO-LKTVYLICSA-N -1 0 345.345 3.895 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)cc1 ZINC000263358230 1036806237 /nfs/dbraw/zinc/80/62/37/1036806237.db2.gz XPXAYPYXSGZVOO-NZVBXONLSA-N -1 0 345.345 3.895 20 0 EHADRM Clc1cc(Cl)cc(-c2n[n-]c(=N[C@@H]3CCCOCC3)s2)c1 ZINC000539551064 1036905670 /nfs/dbraw/zinc/90/56/70/1036905670.db2.gz PYCFFCQZJLUXQD-GFCCVEGCSA-N -1 0 344.267 3.915 20 0 EHADRM Cc1nc(=NC(=O)c2cc(C)ccc2SC2CCCC2)s[n-]1 ZINC000539562159 1036914255 /nfs/dbraw/zinc/91/42/55/1036914255.db2.gz AMXRDZBFHFARNL-UHFFFAOYSA-N -1 0 333.482 3.864 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)c2cc(C)ccc2Cl)n1 ZINC000504519924 1036951022 /nfs/dbraw/zinc/95/10/22/1036951022.db2.gz WLCNWAORONGQCW-UHFFFAOYSA-N -1 0 330.862 3.858 20 0 EHADRM Brc1ccccc1CN=c1[n-]nc(CC2CCCC2)o1 ZINC000539607286 1036970078 /nfs/dbraw/zinc/97/00/78/1036970078.db2.gz BKSHIYFDBOBUMU-UHFFFAOYSA-N -1 0 336.233 3.599 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000263522975 1037038738 /nfs/dbraw/zinc/03/87/38/1037038738.db2.gz IERJRWHKYWAPKB-IBGZPJMESA-N -1 0 345.483 3.921 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)[C@@H](c2ccccc2)C2CC2)sc1C(=O)[O-] ZINC000263526864 1037042196 /nfs/dbraw/zinc/04/21/96/1037042196.db2.gz KIYBZRJLEACBNP-RISCZKNCSA-N -1 0 344.436 3.521 20 0 EHADRM CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@H](C)CC(=O)[O-] ZINC000263535926 1037069247 /nfs/dbraw/zinc/06/92/47/1037069247.db2.gz OOWGWXTTZNOZJT-WCQYABFASA-N -1 0 345.361 3.501 20 0 EHADRM O=C([O-])[C@H]1CCCCCN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000083883068 1037081806 /nfs/dbraw/zinc/08/18/06/1037081806.db2.gz RSUZLEDEMCPRAU-GFCCVEGCSA-N -1 0 331.199 3.855 20 0 EHADRM Cc1cc(F)ccc1CN=c1[n-]nc(CCCc2cccs2)o1 ZINC000539694153 1037084804 /nfs/dbraw/zinc/08/48/04/1037084804.db2.gz VNLLJSACNLSDNX-UHFFFAOYSA-N -1 0 331.416 3.788 20 0 EHADRM N#Cc1ccc(-c2csc([N-]S(=O)(=O)c3cccs3)n2)cc1 ZINC000057720519 1037102952 /nfs/dbraw/zinc/10/29/52/1037102952.db2.gz UVUFGMDDZQYXKN-UHFFFAOYSA-N -1 0 347.446 3.544 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])[S@](=O)Cc1nc(C2CCCCC2)cs1 ZINC000590900993 1037130053 /nfs/dbraw/zinc/13/00/53/1037130053.db2.gz OAIJTBMIAKGOGC-RCDICMHDSA-N -1 0 343.514 3.939 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cccc(Nc3ccccc3)c2)C[C@H]1C(=O)[O-] ZINC000573001733 1037151748 /nfs/dbraw/zinc/15/17/48/1037151748.db2.gz WVWNMUMNLJXWEK-RDTXWAMCSA-N -1 0 338.407 3.613 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)c1ccc(-c2ccc(C)cc2)cc1F ZINC000089284985 1037182410 /nfs/dbraw/zinc/18/24/10/1037182410.db2.gz AKSIMTXHRPQPED-UHFFFAOYSA-N -1 0 333.384 3.622 20 0 EHADRM CC1(CNC(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)CCCC1 ZINC000666527648 1037186328 /nfs/dbraw/zinc/18/63/28/1037186328.db2.gz UMSASKXTGFXEJC-UHFFFAOYSA-N -1 0 344.455 3.854 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)CCCc1cc(Cl)sc1Cl ZINC000089287541 1037213484 /nfs/dbraw/zinc/21/34/84/1037213484.db2.gz ZGMHLNACFAXFGA-UHFFFAOYSA-N -1 0 342.269 3.850 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnoc2C2CC2)cc1C(F)(F)F ZINC000414384831 1037192853 /nfs/dbraw/zinc/19/28/53/1037192853.db2.gz DCVPAYIJWCFBAB-UHFFFAOYSA-N -1 0 346.330 3.680 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC000666543447 1037201135 /nfs/dbraw/zinc/20/11/35/1037201135.db2.gz HJLFLNDWGPTMRW-CGTJXYLNSA-N -1 0 344.455 3.609 20 0 EHADRM CC1(C)CCC[C@H]1NC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666533763 1037208099 /nfs/dbraw/zinc/20/80/99/1037208099.db2.gz AJDOSRDWQLTHOT-QGZVFWFLSA-N -1 0 344.455 3.853 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)/C=C\SCc2ccco2)c1 ZINC000493356109 1037268321 /nfs/dbraw/zinc/26/83/21/1037268321.db2.gz SHRJYNUUVKARJV-CLFYSBASSA-N -1 0 331.393 3.964 20 0 EHADRM CCCc1n[n-]c(=NCc2cc3cc(Br)ccc3o2)o1 ZINC000573104841 1037306362 /nfs/dbraw/zinc/30/63/62/1037306362.db2.gz UOLFNBZETZNBHI-UHFFFAOYSA-N -1 0 336.189 3.565 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)C2CC3(C2)CCCCC3)c1 ZINC000659126275 1037317099 /nfs/dbraw/zinc/31/70/99/1037317099.db2.gz NEPXNJTZQLVXQP-KRWDZBQOSA-N -1 0 345.439 3.688 20 0 EHADRM C[C@@H](NC(=O)c1cc(F)c([O-])c(F)c1)c1ccc(OC(F)F)cc1 ZINC000177030601 1037331043 /nfs/dbraw/zinc/33/10/43/1037331043.db2.gz GWVUZQIMCBJYFQ-MRVPVSSYSA-N -1 0 343.276 3.763 20 0 EHADRM CCC[C@@H](NC(=O)c1cc(C(=O)[O-])oc1C)c1ccc(F)cc1F ZINC000659139367 1037355087 /nfs/dbraw/zinc/35/50/87/1037355087.db2.gz BUXKZKWANGGHEE-CQSZACIVSA-N -1 0 337.322 3.836 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(OC3CCC3)c(F)c2)CC2(CCC2)C1 ZINC000659140473 1037358294 /nfs/dbraw/zinc/35/82/94/1037358294.db2.gz POBPICUJWDLZPG-UHFFFAOYSA-N -1 0 347.386 3.731 20 0 EHADRM Cc1c(C)c(C)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c(C)c1C ZINC000007053750 1037386106 /nfs/dbraw/zinc/38/61/06/1037386106.db2.gz ULQUYLQMLNTZCQ-UHFFFAOYSA-N -1 0 347.436 3.728 20 0 EHADRM O=C(C=Cc1c[nH]cn1)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000493530851 1037430294 /nfs/dbraw/zinc/43/02/94/1037430294.db2.gz SNAJWTBMPZZADB-OWOJBTEDSA-N -1 0 332.574 3.727 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2ccc(C3CCC3)cc2)n1 ZINC000659182249 1037433235 /nfs/dbraw/zinc/43/32/35/1037433235.db2.gz IOFOZWPZRFFSSE-MRXNPFEDSA-N -1 0 341.411 3.829 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2ccc(C)c(Cl)c2)n1 ZINC000659186554 1037449126 /nfs/dbraw/zinc/44/91/26/1037449126.db2.gz YCLUOPCEPNYOHK-CYBMUJFWSA-N -1 0 335.791 3.523 20 0 EHADRM Fc1cccc(F)c1[C@@H]1C[C@H]1N=c1nc(-c2ccccc2)[n-]s1 ZINC000462847707 1037464205 /nfs/dbraw/zinc/46/42/05/1037464205.db2.gz GXVIHJRDBWYNPQ-BXUZGUMPSA-N -1 0 329.375 3.873 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)C/C=C\c2ccc(F)cc2)[C@@H]2CCCC[C@H]12 ZINC000659194446 1037464597 /nfs/dbraw/zinc/46/45/97/1037464597.db2.gz LJLPPTFMHPHYEH-HWYGNIMXSA-N -1 0 345.414 3.721 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC000659210489 1037480454 /nfs/dbraw/zinc/48/04/54/1037480454.db2.gz VIWQKISHVVVLSH-LLVKDONJSA-N -1 0 335.400 3.580 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000573386237 1037502024 /nfs/dbraw/zinc/50/20/24/1037502024.db2.gz XAADEXBTJDZJON-LLVKDONJSA-N -1 0 343.345 3.697 20 0 EHADRM Cc1ccc(-c2ccc(S(=O)(=O)CCCC(=O)[O-])cc2)cc1C ZINC000573386933 1037502730 /nfs/dbraw/zinc/50/27/30/1037502730.db2.gz UYXWMTRKDXABTH-UHFFFAOYSA-N -1 0 332.421 3.609 20 0 EHADRM C[C@H](CC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC000659231464 1037555369 /nfs/dbraw/zinc/55/53/69/1037555369.db2.gz PRXWYJXIRNAGGK-QKCSRTOESA-N -1 0 343.345 3.521 20 0 EHADRM Cc1c(C(=O)N[C@H]2CCC[C@]2(C)C(=O)[O-])oc2c1c(C)ccc2C ZINC000659233926 1037558139 /nfs/dbraw/zinc/55/81/39/1037558139.db2.gz DLQOVROWQRINEX-DJJJIMSYSA-N -1 0 329.396 3.731 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cc1F ZINC000659243077 1037569030 /nfs/dbraw/zinc/56/90/30/1037569030.db2.gz VHQAWMPKPFQVPA-MQMHXKEQSA-N -1 0 345.345 3.533 20 0 EHADRM CN(CCc1cccc2ccccc21)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000532564164 1037652698 /nfs/dbraw/zinc/65/26/98/1037652698.db2.gz CEVLFAMLKSDZKL-UHFFFAOYSA-N -1 0 346.434 3.636 20 0 EHADRM C[C@H](N=c1[n-]nc(Cc2ccccc2)s1)c1nc2c(s1)CCC2 ZINC000573664038 1037676673 /nfs/dbraw/zinc/67/66/73/1037676673.db2.gz HTXMTMIJIQMRQK-NSHDSACASA-N -1 0 342.493 3.669 20 0 EHADRM Cc1csc(NC(=O)c2cc(Br)cc(Cl)c2[O-])n1 ZINC000303822195 1037752518 /nfs/dbraw/zinc/75/25/18/1037752518.db2.gz FTMPCRZDCLYRCQ-UHFFFAOYSA-N -1 0 347.621 3.825 20 0 EHADRM Cc1cc2cc(C(=O)N=c3[n-]nc(CC(C)C)s3)oc2cc1C ZINC000463162235 1037812382 /nfs/dbraw/zinc/81/23/82/1037812382.db2.gz DVWPAQPUTPLSGC-UHFFFAOYSA-N -1 0 329.425 3.774 20 0 EHADRM Cc1cc(C)cc(CCC(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000669434799 1037849168 /nfs/dbraw/zinc/84/91/68/1037849168.db2.gz YRXUPLBERGXUMZ-SFHVURJKSA-N -1 0 337.419 3.841 20 0 EHADRM C[C@H](NC(=O)c1cc(Br)cc(Cl)c1[O-])c1ccc[nH]1 ZINC000760956715 1037887348 /nfs/dbraw/zinc/88/73/48/1037887348.db2.gz CPWRCDOIXXVZRJ-ZETCQYMHSA-N -1 0 343.608 3.627 20 0 EHADRM O=C([O-])c1sc2ccsc2c1CNC(=O)[C@H]1CC12CCCC2 ZINC000532612339 1037915369 /nfs/dbraw/zinc/91/53/69/1037915369.db2.gz JLWCRCNQNJMNOL-SNVBAGLBSA-N -1 0 335.450 3.858 20 0 EHADRM Cc1oc(CN(C)C(=O)/C=C/c2ccc([C@@H]3C[C@H]3C)o2)cc1C(=O)[O-] ZINC000492144304 1038032798 /nfs/dbraw/zinc/03/27/98/1038032798.db2.gz ZZDSCELKYLKPCI-LOSCYIEPSA-N -1 0 343.379 3.674 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)/C=C\C2CCC2)c2ccccc12 ZINC000492157572 1038057759 /nfs/dbraw/zinc/05/77/59/1038057759.db2.gz TZLRVJAFZKAIHC-FLIBITNWSA-N -1 0 325.364 3.598 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)cc1O ZINC000461341280 1038356036 /nfs/dbraw/zinc/35/60/36/1038356036.db2.gz UJXANBMZYMXELF-UHFFFAOYSA-N -1 0 337.344 3.582 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC000538573987 1038398457 /nfs/dbraw/zinc/39/84/57/1038398457.db2.gz RLPROXRAQFTYDV-UHFFFAOYSA-N -1 0 341.407 3.991 20 0 EHADRM O=C([O-])CC1(CNC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)CCCCC1 ZINC000538576898 1038399668 /nfs/dbraw/zinc/39/96/68/1038399668.db2.gz FEPHCNZNZPOHPR-HZPDHXFCSA-N -1 0 349.858 3.985 20 0 EHADRM CC[C@@H](NC(=O)Cc1cccc(C(=O)[O-])c1)C(C)(C)c1ccccc1 ZINC000538576117 1038400275 /nfs/dbraw/zinc/40/02/75/1038400275.db2.gz DMTANKDXWSYARS-GOSISDBHSA-N -1 0 339.435 3.800 20 0 EHADRM COc1ccc(CN=c2[n-]nc(CCC(C)C)o2)c2ccccc12 ZINC000538594316 1038406085 /nfs/dbraw/zinc/40/60/85/1038406085.db2.gz OFUAOGGZUWWRPO-UHFFFAOYSA-N -1 0 325.412 3.854 20 0 EHADRM Cc1ccc(CN=c2[n-]nc(CC(C)(C)C)o2)cc1Br ZINC000538592225 1038421187 /nfs/dbraw/zinc/42/11/87/1038421187.db2.gz QXIMKEONODEBAW-UHFFFAOYSA-N -1 0 338.249 3.763 20 0 EHADRM CC(C)[C@@H](C)N(C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-])C1CC1 ZINC000667135005 1038512264 /nfs/dbraw/zinc/51/22/64/1038512264.db2.gz OHIOKJFPZBOGBU-LLVKDONJSA-N -1 0 349.381 3.505 20 0 EHADRM CCCc1nc(=Nc2ccc(OC)c(OCC(F)(F)F)c2)s[n-]1 ZINC000461782360 1038608301 /nfs/dbraw/zinc/60/83/01/1038608301.db2.gz BLWDGZHMYUUDMV-UHFFFAOYSA-N -1 0 347.362 3.606 20 0 EHADRM C/C=C/C[C@H](NC(=O)Nc1ccc(-c2csc(C)n2)cc1)C(=O)[O-] ZINC000584567853 1038662359 /nfs/dbraw/zinc/66/23/59/1038662359.db2.gz CTQWZDCNHYFNHW-XGACYXMMSA-N -1 0 345.424 3.659 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]c1scnc1-c1ccccc1 ZINC000539111975 1038689303 /nfs/dbraw/zinc/68/93/03/1038689303.db2.gz BXPXLEKKRIEOPE-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)C1(C2CC2)CC1 ZINC000910252388 1038790080 /nfs/dbraw/zinc/79/00/80/1038790080.db2.gz DVCBPIIESPDJHO-UHFFFAOYSA-N -1 0 338.201 3.584 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N1CCC(c2cccc(Cl)c2)CC1 ZINC000910255090 1038790610 /nfs/dbraw/zinc/79/06/10/1038790610.db2.gz XPJKADGQPZMUMX-UHFFFAOYSA-N -1 0 347.798 3.580 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1O ZINC000086170824 1038808253 /nfs/dbraw/zinc/80/82/53/1038808253.db2.gz JRZMGHKOTPUESV-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM O=C([O-])c1ccc(C(F)(F)F)nc1N1CCC[C@@H]1c1ccccn1 ZINC000910286830 1038812245 /nfs/dbraw/zinc/81/22/45/1038812245.db2.gz FKNGJLTXQSWOHU-GFCCVEGCSA-N -1 0 337.301 3.535 20 0 EHADRM CC[C@@H](Nc1ncc(C(=O)[O-])c(C)n1)c1nc(C(F)(F)F)cs1 ZINC000910298398 1038815614 /nfs/dbraw/zinc/81/56/14/1038815614.db2.gz FGJFTJULRGSHSZ-MRVPVSSYSA-N -1 0 346.334 3.522 20 0 EHADRM COc1cccc([C@@H](C(=O)[O-])N(C)Cc2nc(C(C)(C)C)cs2)c1 ZINC000905373359 1038846420 /nfs/dbraw/zinc/84/64/20/1038846420.db2.gz KRLCWHXBMUDZBV-INIZCTEOSA-N -1 0 348.468 3.707 20 0 EHADRM CC(C)CCc1nc(CN[C@H](C(=O)[O-])c2ccccc2F)cs1 ZINC000905376302 1038852936 /nfs/dbraw/zinc/85/29/36/1038852936.db2.gz LVCCSAOXGODCBM-INIZCTEOSA-N -1 0 336.432 3.786 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)CC(C)(C)CC(F)F)c1 ZINC000910368339 1038865897 /nfs/dbraw/zinc/86/58/97/1038865897.db2.gz FTXMQWKIDPLFIF-ZDUSSCGKSA-N -1 0 327.371 3.699 20 0 EHADRM Cc1nc(N2CCCCC[C@@H]2C[C@@H](O)c2ccco2)ccc1C(=O)[O-] ZINC000910374699 1038871197 /nfs/dbraw/zinc/87/11/97/1038871197.db2.gz KPAMURKXKHDDKE-GDBMZVCRSA-N -1 0 344.411 3.554 20 0 EHADRM Cc1ccc2sc(C(=O)N3CC[C@]4(C(=O)[O-])CCC[C@H]34)cc2c1 ZINC000910397223 1038881663 /nfs/dbraw/zinc/88/16/63/1038881663.db2.gz ZLIJIJVUZPMZFO-MAUKXSAKSA-N -1 0 329.421 3.679 20 0 EHADRM CC(C)c1scnc1[N-]S(=O)(=O)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000641688126 1038885215 /nfs/dbraw/zinc/88/52/15/1038885215.db2.gz XHXNDXDFIOTUBA-QWHCGFSZSA-N -1 0 340.445 3.703 20 0 EHADRM C[C@H](CC(=O)N[C@H](CC(=O)[O-])c1ccccc1Cl)c1ccco1 ZINC000910405585 1038888173 /nfs/dbraw/zinc/88/81/73/1038888173.db2.gz IZQKBOHDXKFYFQ-BXUZGUMPSA-N -1 0 335.787 3.759 20 0 EHADRM Cc1nc(C(C)C)oc1CNc1nc(C(F)(F)F)ccc1C(=O)[O-] ZINC000910384546 1038888640 /nfs/dbraw/zinc/88/86/40/1038888640.db2.gz QLUUSKQFWHREDP-UHFFFAOYSA-N -1 0 343.305 3.831 20 0 EHADRM Cc1cccc2sc(C(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])c(Cl)c21 ZINC000910447172 1038916156 /nfs/dbraw/zinc/91/61/56/1038916156.db2.gz UAMAOAUAIRTGGV-IUCAKERBSA-N -1 0 341.791 3.500 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)[C@H]1CSc2ccccc21 ZINC000163591483 1038919428 /nfs/dbraw/zinc/91/94/28/1038919428.db2.gz JHZOKXQFYGJZTF-NSHDSACASA-N -1 0 328.418 3.945 20 0 EHADRM O=S(=O)([N-]c1cccc(F)c1)c1cc(C(F)(F)F)ccc1F ZINC000485324124 1038924655 /nfs/dbraw/zinc/92/46/55/1038924655.db2.gz VDADXLKBWCQFSX-UHFFFAOYSA-N -1 0 337.269 3.784 20 0 EHADRM C[C@H](Nc1ccc(C(F)(F)F)nc1)c1ccc(OCC(=O)[O-])cc1 ZINC000910466725 1038927081 /nfs/dbraw/zinc/92/70/81/1038927081.db2.gz KSPOGKIFIMFAOZ-JTQLQIEISA-N -1 0 340.301 3.737 20 0 EHADRM C[C@@H](C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccc(Cl)s1 ZINC000910479080 1038932998 /nfs/dbraw/zinc/93/29/98/1038932998.db2.gz PCFRBHDSBVSYKR-JIMOISOXSA-N -1 0 349.839 3.934 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Cc1c[nH]c2cccc(Cl)c12)C1CCCC1 ZINC000910566994 1038968036 /nfs/dbraw/zinc/96/80/36/1038968036.db2.gz KGFMIDUFSAYHQI-HNNXBMFYSA-N -1 0 348.830 3.514 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)N[C@@H](CC(=O)[O-])C3CCCC3)c2c1 ZINC000910570200 1038968268 /nfs/dbraw/zinc/96/82/68/1038968268.db2.gz XGNSHEAUPSKMQM-SFHVURJKSA-N -1 0 342.439 3.559 20 0 EHADRM COc1ccc(OC)c(CNc2cccc(C(=O)[O-])c2OC(C)C)c1 ZINC000485387625 1038987175 /nfs/dbraw/zinc/98/71/75/1038987175.db2.gz VDLBMWZUCNHYNW-UHFFFAOYSA-N -1 0 345.395 3.801 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)c1nc[n-]c1C(=O)c1ccccc1 ZINC000485387425 1038989023 /nfs/dbraw/zinc/98/90/23/1038989023.db2.gz UGJGRGOTQFESIT-UHFFFAOYSA-N -1 0 339.782 3.855 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)CC1CC(OC(C)(C)C)C1 ZINC000910620008 1038990267 /nfs/dbraw/zinc/99/02/67/1038990267.db2.gz ATDJTFUQQSYNSY-UHFFFAOYSA-N -1 0 349.427 3.706 20 0 EHADRM COc1ccc(CNc2cccc(C(=O)[O-])c2OC(C)C)cc1F ZINC000485399777 1039009904 /nfs/dbraw/zinc/00/99/04/1039009904.db2.gz CSNIYOUYJIJWJH-UHFFFAOYSA-N -1 0 333.359 3.932 20 0 EHADRM CC(C)Sc1ccc(C(=O)Nc2ncc(CC(=O)[O-])s2)cc1 ZINC000910673872 1039015378 /nfs/dbraw/zinc/01/53/78/1039015378.db2.gz HSESMUYNPOIIAQ-UHFFFAOYSA-N -1 0 336.438 3.523 20 0 EHADRM CSc1cc(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)co1 ZINC000910705371 1039027554 /nfs/dbraw/zinc/02/75/54/1039027554.db2.gz GPDDZHVCQDHILD-UHFFFAOYSA-N -1 0 326.399 3.532 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)CC2(C)CCCC2)nc1C(=O)[O-] ZINC000910724765 1039031703 /nfs/dbraw/zinc/03/17/03/1039031703.db2.gz UCUIYDRUTOWRHY-GFCCVEGCSA-N -1 0 336.457 3.784 20 0 EHADRM CCOC(=O)c1coc(=N[C@H](C)c2cc3cccc(OCC)c3o2)[n-]1 ZINC000418840116 1039031731 /nfs/dbraw/zinc/03/17/31/1039031731.db2.gz ZTACZZNQDLXBNL-LLVKDONJSA-N -1 0 344.367 3.591 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)CC2CCCCC2)nc1C(=O)[O-] ZINC000910723088 1039032656 /nfs/dbraw/zinc/03/26/56/1039032656.db2.gz ORIGNHXKBPKCLL-ZDUSSCGKSA-N -1 0 336.457 3.784 20 0 EHADRM COc1cc(NCc2ccc(C(=O)[O-])cn2)c(C2CC2)cc1Cl ZINC000905726970 1039063384 /nfs/dbraw/zinc/06/33/84/1039063384.db2.gz BQQPMRCFRUCCDG-UHFFFAOYSA-N -1 0 332.787 3.931 20 0 EHADRM O=C([O-])c1ccc(CNc2ccc(OC3CCCC3)c(F)c2)nc1 ZINC000905726151 1039065054 /nfs/dbraw/zinc/06/50/54/1039065054.db2.gz JDLOKHOSAJOOTQ-UHFFFAOYSA-N -1 0 330.359 3.852 20 0 EHADRM Cc1sc(NC(=O)[C@H](C)c2ccc(Cl)s2)nc1C(=O)[O-] ZINC000910780647 1039088556 /nfs/dbraw/zinc/08/85/56/1039088556.db2.gz JAKQNUQMSHHPHE-RXMQYKEDSA-N -1 0 330.818 3.607 20 0 EHADRM CC(C)Oc1cccc(CNc2ccc3cnn(CC(=O)[O-])c3c2)c1 ZINC000905751924 1039089179 /nfs/dbraw/zinc/08/91/79/1039089179.db2.gz MLXXYOBGVDWZIN-UHFFFAOYSA-N -1 0 339.395 3.520 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)c2csc3c2CCCC3)c2ccccc21 ZINC000325451740 1039094003 /nfs/dbraw/zinc/09/40/03/1039094003.db2.gz XVSKBRGBBZKVNX-AWEZNQCLSA-N -1 0 341.432 3.846 20 0 EHADRM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCC(C)(C)CC(=O)[O-] ZINC000910820699 1039093929 /nfs/dbraw/zinc/09/39/29/1039093929.db2.gz HCECVOFZYGABEK-NSHDSACASA-N -1 0 345.361 3.501 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCOC2(C1)CCCCCC2 ZINC000164250655 1039148860 /nfs/dbraw/zinc/14/88/60/1039148860.db2.gz QMLPWMOKBOUTKX-UHFFFAOYSA-N -1 0 341.810 3.750 20 0 EHADRM C[C@H](CC(=O)N[C@@H](C)CCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000237506305 1039155286 /nfs/dbraw/zinc/15/52/86/1039155286.db2.gz GKBZHXBYFNBIFN-MNOVXSKESA-N -1 0 331.334 3.569 20 0 EHADRM CCC[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1CC)c1ccccn1 ZINC000910965616 1039163245 /nfs/dbraw/zinc/16/32/45/1039163245.db2.gz OTNPKXQZDHROPP-OAHLLOKOSA-N -1 0 326.396 3.865 20 0 EHADRM Cc1ccc(OCCCCN=c2[n-]nc(C(F)(F)F)s2)cc1 ZINC000480097601 1039171734 /nfs/dbraw/zinc/17/17/34/1039171734.db2.gz YLOHYJYRRJITDD-UHFFFAOYSA-N -1 0 331.363 3.558 20 0 EHADRM Cc1ccc(C)c(C(=O)Nc2ccccc2N2CCCC2)c1C(=O)[O-] ZINC000393144934 1039195412 /nfs/dbraw/zinc/19/54/12/1039195412.db2.gz VUKAULKOFPKCNE-UHFFFAOYSA-N -1 0 338.407 3.854 20 0 EHADRM CCOc1cc(CN=c2[n-]nc(C3CC3)s2)cc(Cl)c1OC ZINC000554320430 1039207610 /nfs/dbraw/zinc/20/76/10/1039207610.db2.gz ZMLXALKDPUUYLL-UHFFFAOYSA-N -1 0 339.848 3.510 20 0 EHADRM CC(C)n1c(=N)[n-]nc1SCc1cc(-c2ccccc2Cl)on1 ZINC000416913176 1039208042 /nfs/dbraw/zinc/20/80/42/1039208042.db2.gz NYRNKPZZCBXZPX-UHFFFAOYSA-N -1 0 349.847 3.872 20 0 EHADRM Cc1cc(C)c(N=c2[n-]nc(SCC(C)(C)O)s2)c(Cl)c1 ZINC000488488891 1039225160 /nfs/dbraw/zinc/22/51/60/1039225160.db2.gz DAHXIVVKJSNSSK-UHFFFAOYSA-N -1 0 343.905 3.837 20 0 EHADRM O=C(/C=C\c1cc(C(=O)[O-])co1)Nc1ccccc1N1CCCCC1 ZINC000911092524 1039230506 /nfs/dbraw/zinc/23/05/06/1039230506.db2.gz RAECRXYDARFANX-HJWRWDBZSA-N -1 0 340.379 3.620 20 0 EHADRM Cc1ccc(N=c2[n-]nc(SCC(C)(C)O)s2)cc1Cl ZINC000488498634 1039240590 /nfs/dbraw/zinc/24/05/90/1039240590.db2.gz WRBFQAUPKUMRHB-UHFFFAOYSA-N -1 0 329.878 3.528 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)NC[C@@H]2CCCCC(F)(F)C2)s[n-]1 ZINC000432803790 1039269988 /nfs/dbraw/zinc/26/99/88/1039269988.db2.gz HOUZHBFOTQADIO-SNVBAGLBSA-N -1 0 346.447 3.595 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1nnc(C(CC)CC)s1 ZINC000488573195 1039273519 /nfs/dbraw/zinc/27/35/19/1039273519.db2.gz BBQINZJVWJRBNE-UHFFFAOYSA-N -1 0 339.486 3.805 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c(F)c1 ZINC000480197420 1039281580 /nfs/dbraw/zinc/28/15/80/1039281580.db2.gz KZPHNRGDCVIIDT-UHFFFAOYSA-N -1 0 349.305 3.654 20 0 EHADRM CN(C(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1)[C@H]1CC1(C)C ZINC000488651543 1039317235 /nfs/dbraw/zinc/31/72/35/1039317235.db2.gz SJNIQARPEUZWEN-NSHDSACASA-N -1 0 336.848 3.543 20 0 EHADRM Cc1noc(C)c1[C@H](C)C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000237467376 1039336737 /nfs/dbraw/zinc/33/67/37/1039336737.db2.gz UACMKGJPDLWKDB-QMMMGPOBSA-N -1 0 344.392 3.947 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000911389030 1039339456 /nfs/dbraw/zinc/33/94/56/1039339456.db2.gz HEDZGLVRWVHSDX-GXSJLCMTSA-N -1 0 347.308 3.622 20 0 EHADRM CSc1cc(C(=O)N[C@@H](C)CCC(=O)[O-])c(Cl)cc1Cl ZINC000237426780 1039361807 /nfs/dbraw/zinc/36/18/07/1039361807.db2.gz SUKFMOYKHFJZSR-ZETCQYMHSA-N -1 0 336.240 3.698 20 0 EHADRM CC(C)OCc1cc(NC(=O)CC2CCC(C(=O)[O-])CC2)ccc1O ZINC000911465732 1039371527 /nfs/dbraw/zinc/37/15/27/1039371527.db2.gz DOKYGUPAQYDWCH-UHFFFAOYSA-N -1 0 349.427 3.537 20 0 EHADRM COc1cc(Cl)c(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1C ZINC000911467293 1039373615 /nfs/dbraw/zinc/37/36/15/1039373615.db2.gz OYFNEJFFUVIJCA-UHFFFAOYSA-N -1 0 337.803 3.631 20 0 EHADRM C[C@H](N=c1[n-]nc(-c2ccccc2)s1)[C@H]1OCCc2sccc21 ZINC000488748898 1039381342 /nfs/dbraw/zinc/38/13/42/1039381342.db2.gz QHBZISUAAQGANP-XHDPSFHLSA-N -1 0 343.477 3.803 20 0 EHADRM C[C@H](C(=O)NCc1c(C(=O)[O-])sc2ccsc21)C(C)(C)C ZINC000439930495 1039401287 /nfs/dbraw/zinc/40/12/87/1039401287.db2.gz YHCYBYMKMOXDIH-MRVPVSSYSA-N -1 0 325.455 3.959 20 0 EHADRM O=C([O-])[C@H]1[C@@H]2c3ccc(-c4ccc(C(F)(F)F)cc4CO)cc3C[C@H]12 ZINC000906251423 1039411559 /nfs/dbraw/zinc/41/15/59/1039411559.db2.gz UJCQUOQPSWQXHT-GVDBMIGSSA-N -1 0 348.320 3.835 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N1CCC(CC(F)(F)F)CC1 ZINC000911583258 1039422643 /nfs/dbraw/zinc/42/26/43/1039422643.db2.gz HJGWKGSCKIPGQU-UHFFFAOYSA-N -1 0 343.345 3.508 20 0 EHADRM CCCCc1ccc(C(=O)N[C@@](C)(CC(=O)[O-])c2ccccn2)cc1 ZINC000911613480 1039433871 /nfs/dbraw/zinc/43/38/71/1039433871.db2.gz ZWUMRJWWWIYDFA-FQEVSTJZSA-N -1 0 340.423 3.544 20 0 EHADRM Cc1cc(F)c(NC(=O)c2cccc(N3CCCC3)c2)cc1C(=O)[O-] ZINC000911680942 1039455280 /nfs/dbraw/zinc/45/52/80/1039455280.db2.gz ADQYOEAYERSNPG-UHFFFAOYSA-N -1 0 342.370 3.685 20 0 EHADRM Cc1cc(F)c(NC(=O)c2cnc(C(C)(C)C)s2)cc1C(=O)[O-] ZINC000911681058 1039455331 /nfs/dbraw/zinc/45/53/31/1039455331.db2.gz HYPDWLCEINUFCU-UHFFFAOYSA-N -1 0 336.388 3.839 20 0 EHADRM Cc1cc(C)cc(CS(=O)(=O)[N-][C@H](C(C)(C)C)C(F)(F)F)c1 ZINC000554539339 1039456799 /nfs/dbraw/zinc/45/67/99/1039456799.db2.gz XVSOECWBXABWQM-CYBMUJFWSA-N -1 0 337.407 3.700 20 0 EHADRM CCCN(C(=O)c1ccc(C)c(Oc2ccncc2)c1)[C@@H](C)C(=O)[O-] ZINC000911715707 1039469273 /nfs/dbraw/zinc/46/92/73/1039469273.db2.gz YIUZOOKBGLZRTQ-AWEZNQCLSA-N -1 0 342.395 3.508 20 0 EHADRM Cc1cc(Nc2sc3c(c2C(N)=O)C[C@H](C)CC3)ccc1C(=O)[O-] ZINC001211652993 1039520272 /nfs/dbraw/zinc/52/02/72/1039520272.db2.gz VSJLZHKJNFQNGE-SECBINFHSA-N -1 0 344.436 3.722 20 0 EHADRM CCOc1ccc(CCC(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)cc1 ZINC000485935860 1039715940 /nfs/dbraw/zinc/71/59/40/1039715940.db2.gz QQSPZXXODJQNNV-UHFFFAOYSA-N -1 0 341.407 3.972 20 0 EHADRM Cc1cccc(CSc2n[n-]c(=NCCc3ccccc3)s2)n1 ZINC000554783223 1039725134 /nfs/dbraw/zinc/72/51/34/1039725134.db2.gz WEOWXDTUSPTALG-UHFFFAOYSA-N -1 0 342.493 3.610 20 0 EHADRM Cc1cc(NC(=O)C2(c3cccc(F)c3)CC2)cc(C(=O)[O-])c1C ZINC000485952661 1039734293 /nfs/dbraw/zinc/73/42/93/1039734293.db2.gz CLKCONBCTQZMKB-UHFFFAOYSA-N -1 0 327.355 3.811 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCC(=O)C[C@@H]1C1CC1 ZINC000912184497 1039734741 /nfs/dbraw/zinc/73/47/41/1039734741.db2.gz ATKGKYLZMGIOLW-QGZVFWFLSA-N -1 0 343.810 3.783 20 0 EHADRM Cc1cccc(CO[N-]C(=O)C2(c3ccccc3F)CCCC2)n1 ZINC000898936211 1039741389 /nfs/dbraw/zinc/74/13/89/1039741389.db2.gz QDRONDCCABRCRV-UHFFFAOYSA-N -1 0 328.387 3.589 20 0 EHADRM C[C@@H](C[C@@H]1CCCO1)N=c1[n-]nc(Cc2ccc(Cl)cc2)s1 ZINC000489313866 1039827184 /nfs/dbraw/zinc/82/71/84/1039827184.db2.gz JELDOHZHGBBJRX-FZMZJTMJSA-N -1 0 337.876 3.574 20 0 EHADRM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CC1(C(=O)[O-])CCCC1 ZINC000322044112 1039836924 /nfs/dbraw/zinc/83/69/24/1039836924.db2.gz ZLTJIAACHWNXTD-NSHDSACASA-N -1 0 325.355 3.519 20 0 EHADRM Clc1cccc(Cl)c1CCN=c1[n-]nc(-c2ccon2)s1 ZINC000553330723 1039979250 /nfs/dbraw/zinc/97/92/50/1039979250.db2.gz JMCQPNZBLOEJSF-UHFFFAOYSA-N -1 0 341.223 3.576 20 0 EHADRM Fc1cccc([C@@H]2CC[C@@H](N=c3[n-]nc(C(F)(F)F)s3)C2)c1 ZINC000480780253 1040002705 /nfs/dbraw/zinc/00/27/05/1040002705.db2.gz NMEONOUELNDQSK-MWLCHTKSSA-N -1 0 331.338 3.866 20 0 EHADRM CC(C)(C)c1cnc(CN[C@@]2(C(=O)[O-])CCc3c2cccc3F)s1 ZINC000417566081 1040016571 /nfs/dbraw/zinc/01/65/71/1040016571.db2.gz LSPJEWUAVABXDG-SFHVURJKSA-N -1 0 348.443 3.596 20 0 EHADRM Cc1noc(C)c1CNc1cc(Br)c(C)c(C(=O)[O-])c1 ZINC000417595217 1040049111 /nfs/dbraw/zinc/04/91/11/1040049111.db2.gz XSHOBEZZHZYXOP-UHFFFAOYSA-N -1 0 339.189 3.673 20 0 EHADRM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccn(C(C)C)n2)cc1 ZINC000479252291 1040071776 /nfs/dbraw/zinc/07/17/76/1040071776.db2.gz SVMKZJGRUXIDGH-UHFFFAOYSA-N -1 0 335.473 3.853 20 0 EHADRM Cc1ccc(F)cc1S(=O)(=O)Nc1ccnc(-c2ccccc2)c1 ZINC000479251904 1040072546 /nfs/dbraw/zinc/07/25/46/1040072546.db2.gz VYLGWBQYDWILDF-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM C[C@H](Cc1ccc(NCc2cccc3c2OCCCO3)cc1)C(=O)[O-] ZINC000417615468 1040085507 /nfs/dbraw/zinc/08/55/07/1040085507.db2.gz XQMOVXXSCFEGCK-CQSZACIVSA-N -1 0 341.407 3.723 20 0 EHADRM Cc1oc(C(C)(C)C)cc1C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000907730026 1040148174 /nfs/dbraw/zinc/14/81/74/1040148174.db2.gz GPYOEYOVTQFYQY-MRVPVSSYSA-N -1 0 336.413 3.531 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)[C@@H]1CCCC2(CC2)C1)c1cccc(F)c1 ZINC000659153313 1040193730 /nfs/dbraw/zinc/19/37/30/1040193730.db2.gz URMVZTANTLBCQX-FZKQIMNGSA-N -1 0 333.403 3.602 20 0 EHADRM CCOc1ccc(CCC(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000236923214 1040202834 /nfs/dbraw/zinc/20/28/34/1040202834.db2.gz HFQDLLMURIMJBY-RIYZIHGNSA-N -1 0 339.391 3.754 20 0 EHADRM O=C(c1nn(-c2ccccc2)cc1[O-])N1CCCCCc2ccccc21 ZINC000486525140 1040215005 /nfs/dbraw/zinc/21/50/05/1040215005.db2.gz DYSGJGDUIGHWOY-UHFFFAOYSA-N -1 0 347.418 3.951 20 0 EHADRM CCC(CC)CC(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000455927248 1040249888 /nfs/dbraw/zinc/24/98/88/1040249888.db2.gz LLOVHGKFNVMTRZ-CQSZACIVSA-N -1 0 331.334 3.931 20 0 EHADRM O=C([O-])c1cccc2c1CCN2C(=O)c1scnc1C1CCCC1 ZINC000907984839 1040256941 /nfs/dbraw/zinc/25/69/41/1040256941.db2.gz XHFIVELHSHRMFW-UHFFFAOYSA-N -1 0 342.420 3.702 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)CCc1ccc(C(F)F)cc1 ZINC000908030905 1040272683 /nfs/dbraw/zinc/27/26/83/1040272683.db2.gz NTSROAJXNVWWJN-CYBMUJFWSA-N -1 0 327.371 3.562 20 0 EHADRM O=C([O-])c1ccc2c(c1)N(C(=O)[C@@H]1CCSc3ccccc31)CC2 ZINC000908064411 1040283112 /nfs/dbraw/zinc/28/31/12/1040283112.db2.gz ZZVMNEZEPBGAMR-OAHLLOKOSA-N -1 0 339.416 3.554 20 0 EHADRM CN(C(=O)CCCCc1ccccc1)c1cccc(CC(=O)[O-])c1 ZINC000908086666 1040283308 /nfs/dbraw/zinc/28/33/08/1040283308.db2.gz WROIQHZGNMJGKW-UHFFFAOYSA-N -1 0 325.408 3.690 20 0 EHADRM CN(C(=O)C1(c2ccc(Cl)cc2)CC1)c1cccc(CC(=O)[O-])c1 ZINC000908072644 1040288266 /nfs/dbraw/zinc/28/82/66/1040288266.db2.gz FBAGUIINZZMKBT-UHFFFAOYSA-N -1 0 343.810 3.662 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)N(C)c1cccc(CC(=O)[O-])c1 ZINC000908080223 1040290876 /nfs/dbraw/zinc/29/08/76/1040290876.db2.gz OPHMULONFYYWON-QGZVFWFLSA-N -1 0 343.448 3.847 20 0 EHADRM CN(C(=O)CCc1ccc(C(F)F)cc1)c1cccc(CC(=O)[O-])c1 ZINC000908081278 1040291794 /nfs/dbraw/zinc/29/17/94/1040291794.db2.gz ZZITVUZWSHIVDQ-UHFFFAOYSA-N -1 0 347.361 3.847 20 0 EHADRM CSCc1ccc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000899310896 1040299804 /nfs/dbraw/zinc/29/98/04/1040299804.db2.gz IMGKICRUMDVJMD-OAHLLOKOSA-N -1 0 336.457 3.801 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cc1)c1cc(F)ccc1Br ZINC000152131363 1040341517 /nfs/dbraw/zinc/34/15/17/1040341517.db2.gz AOOJUXZKNFYIAE-UHFFFAOYSA-N -1 0 348.168 3.528 20 0 EHADRM CC(C)(CC(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1)CC(F)(F)F ZINC000908228647 1040359188 /nfs/dbraw/zinc/35/91/88/1040359188.db2.gz GPULPSHKUMIQPC-CYBMUJFWSA-N -1 0 345.361 3.557 20 0 EHADRM O=c1c(C(F)(F)F)c(C2CC2)[n-]n1-c1ccc(C(F)(F)F)cc1 ZINC000899348630 1040367672 /nfs/dbraw/zinc/36/76/72/1040367672.db2.gz FWRGBMNCKJJVIM-SNVBAGLBSA-N -1 0 336.235 3.997 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908342613 1040402697 /nfs/dbraw/zinc/40/26/97/1040402697.db2.gz RDMWMWOJZIPIET-OAHLLOKOSA-N -1 0 347.455 3.730 20 0 EHADRM Cc1coc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3C)cc12 ZINC000479583787 1040405118 /nfs/dbraw/zinc/40/51/18/1040405118.db2.gz WZPPKKNQOIKHQJ-UHFFFAOYSA-N -1 0 345.376 3.549 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)c2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000908372507 1040418221 /nfs/dbraw/zinc/41/82/21/1040418221.db2.gz FRFSNXLZKUKIFB-PELKAZGASA-N -1 0 349.736 3.732 20 0 EHADRM CCCOc1ccc(Cl)cc1C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1 ZINC000908371507 1040418490 /nfs/dbraw/zinc/41/84/90/1040418490.db2.gz CKTHTRWDNKGPIA-WCQYABFASA-N -1 0 339.819 3.502 20 0 EHADRM CCC1(C)CCN(C(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])CC1 ZINC000667829691 1040422096 /nfs/dbraw/zinc/42/20/96/1040422096.db2.gz YQMMVFNPDLVVBW-UHFFFAOYSA-N -1 0 349.381 3.508 20 0 EHADRM C/C(=C/C(C)(C)C)C(=O)Nc1ccc(-n2[n-]c(C3CC3)cc2=O)nc1 ZINC000912867704 1040422550 /nfs/dbraw/zinc/42/25/50/1040422550.db2.gz YGQININXNDZIAS-BENRWUELSA-N -1 0 340.427 3.515 20 0 EHADRM O=C(c1ccc(F)cc1[O-])N1CCC(c2cccc(F)c2F)CC1 ZINC000555343676 1040440850 /nfs/dbraw/zinc/44/08/50/1040440850.db2.gz YXNUZZOASKSLFJ-UHFFFAOYSA-N -1 0 335.325 3.829 20 0 EHADRM Cc1c(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])cnn1C(C)C ZINC000190797145 1040478218 /nfs/dbraw/zinc/47/82/18/1040478218.db2.gz KAMIMHFKQVGPHQ-UHFFFAOYSA-N -1 0 337.379 3.876 20 0 EHADRM Cc1cnc(C(=O)Nc2cnn(-c3ccccc3)c2C(C)C)c([O-])c1 ZINC000490352089 1040522326 /nfs/dbraw/zinc/52/23/26/1040522326.db2.gz INZVNKLMTQNLFK-UHFFFAOYSA-N -1 0 336.395 3.657 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N[C@@H](c2ccccc2C)C2CC2)s1 ZINC000490403650 1040548070 /nfs/dbraw/zinc/54/80/70/1040548070.db2.gz SJSQCBQLCLPVIE-CYBMUJFWSA-N -1 0 348.497 3.653 20 0 EHADRM CC(C)OCc1cccc(NC(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])c1 ZINC000908618184 1040549667 /nfs/dbraw/zinc/54/96/67/1040549667.db2.gz MGRVSYOMJDUVAX-HNNXBMFYSA-N -1 0 336.432 3.623 20 0 EHADRM COc1ccc(C(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000042233002 1040579788 /nfs/dbraw/zinc/57/97/88/1040579788.db2.gz WLFUCXJUUPQRLD-UHFFFAOYSA-N -1 0 341.388 3.542 20 0 EHADRM C[C@@H](C(=O)N1CCC(CC(=O)[O-])CC1)c1ccc(C(F)(F)F)cc1 ZINC000908675052 1040582675 /nfs/dbraw/zinc/58/26/75/1040582675.db2.gz NYUAOEDRSARQDO-LLVKDONJSA-N -1 0 343.345 3.522 20 0 EHADRM CN(C(=O)Nc1ncc(C2CCCCC2)s1)C(C)(C)C(=O)[O-] ZINC000908674225 1040583954 /nfs/dbraw/zinc/58/39/54/1040583954.db2.gz FMSFTWDRYMCDFR-UHFFFAOYSA-N -1 0 325.434 3.518 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@H]4C3)(CC1)CC2 ZINC000908707167 1040603105 /nfs/dbraw/zinc/60/31/05/1040603105.db2.gz PXRLDWQJDUYJBF-NVZZZQCFSA-N -1 0 333.472 3.887 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N(Cc1ccccc1)C1CCCCC1 ZINC000908734001 1040615494 /nfs/dbraw/zinc/61/54/94/1040615494.db2.gz RBMCKGJOPSAWCX-UHFFFAOYSA-N -1 0 341.407 3.882 20 0 EHADRM C[C@H](Cc1ccccc1Cl)NC(=O)c1ccccc1CCC(=O)[O-] ZINC000908739298 1040622776 /nfs/dbraw/zinc/62/27/76/1040622776.db2.gz WUKMLQSOMQGOGM-CYBMUJFWSA-N -1 0 345.826 3.718 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000908752863 1040633695 /nfs/dbraw/zinc/63/36/95/1040633695.db2.gz RYWCRAUAPOGGHC-QGZVFWFLSA-N -1 0 343.810 3.775 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CC[C@@H](CC(C)C)C2)n1 ZINC000468749709 1040668883 /nfs/dbraw/zinc/66/88/83/1040668883.db2.gz PLAIDOUPVDCIKL-AWEZNQCLSA-N -1 0 345.418 3.534 20 0 EHADRM O=C(N[C@H](c1ccccc1)C1(CO)CCC1)c1cccc(Cl)c1[O-] ZINC001143510011 1040769236 /nfs/dbraw/zinc/76/92/36/1040769236.db2.gz RQSBDAKPCFLZPO-QGZVFWFLSA-N -1 0 345.826 3.679 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)nn1[C@@H](C)C1CC1 ZINC000909097406 1040800999 /nfs/dbraw/zinc/80/09/99/1040800999.db2.gz RZJYSXANXSHTOB-KADSFNECSA-N -1 0 339.395 3.513 20 0 EHADRM C[C@H]1C[C@@H](C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CCC1=O ZINC000909118830 1040812819 /nfs/dbraw/zinc/81/28/19/1040812819.db2.gz FDDDUZSLUWLHKK-UWVGGRQHSA-N -1 0 331.393 3.543 20 0 EHADRM CC[C@H]1C[C@H](C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CCO1 ZINC000909123592 1040818838 /nfs/dbraw/zinc/81/88/38/1040818838.db2.gz SXMATEUXQIIVRT-MFKMUULPSA-N -1 0 333.409 3.743 20 0 EHADRM Cc1ccccc1[C@@H](C)Sc1n[n-]c(=NC[C@@H]2CCCO2)s1 ZINC000481391451 1040830402 /nfs/dbraw/zinc/83/04/02/1040830402.db2.gz HPTFIRIPWVRTHT-OLZOCXBDSA-N -1 0 335.498 3.713 20 0 EHADRM Cc1cc(C)c2c(c1)CN(C(=O)c1cc(F)c(F)c([O-])c1F)CC2 ZINC000487269170 1040864193 /nfs/dbraw/zinc/86/41/93/1040864193.db2.gz SBVJJLYAWUTEAP-UHFFFAOYSA-N -1 0 335.325 3.625 20 0 EHADRM Cc1c(C(=O)[O-])cc(F)cc1-c1ccccc1OC[C@H]1CCOC1 ZINC000899633850 1040885077 /nfs/dbraw/zinc/88/50/77/1040885077.db2.gz MDFMFSJOIGBHIL-ZDUSSCGKSA-N -1 0 330.355 3.915 20 0 EHADRM Cc1ccc(CCC(=O)Nc2cccc(CSCC(=O)[O-])c2)s1 ZINC000909229467 1040885480 /nfs/dbraw/zinc/88/54/80/1040885480.db2.gz ICCNEAXPGBIKTC-UHFFFAOYSA-N -1 0 349.477 3.946 20 0 EHADRM Nc1c(Cl)cc(NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1Cl ZINC000067184173 1040920741 /nfs/dbraw/zinc/92/07/41/1040920741.db2.gz FVMXEWNLTKFUCV-UHFFFAOYSA-N -1 0 348.189 3.669 20 0 EHADRM CCCOc1ccc(CN[C@@H](C(=O)[O-])c2c(F)cccc2F)cc1 ZINC000555616573 1040924473 /nfs/dbraw/zinc/92/44/73/1040924473.db2.gz ACOCOVJNOWUHJU-QGZVFWFLSA-N -1 0 335.350 3.669 20 0 EHADRM CC(C)C(=O)c1ccc([C@@H](C)C(=O)N[C@](C)(CC(=O)[O-])C(C)C)cc1 ZINC000909687164 1040951074 /nfs/dbraw/zinc/95/10/74/1040951074.db2.gz IAWLXSRKKQVIST-JLTOFOAXSA-N -1 0 347.455 3.634 20 0 EHADRM CC(C)C(=O)c1ccc([C@H](C)C(=O)N[C@@](C)(CC(=O)[O-])C(C)C)cc1 ZINC000909687167 1040951560 /nfs/dbraw/zinc/95/15/60/1040951560.db2.gz IAWLXSRKKQVIST-XOBRGWDASA-N -1 0 347.455 3.634 20 0 EHADRM Cc1ccc(NC(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])s1 ZINC000570904652 1040975204 /nfs/dbraw/zinc/97/52/04/1040975204.db2.gz HIJBDJRWPZSFCF-KBPBESRZSA-N -1 0 336.457 3.944 20 0 EHADRM CCc1cc(C)c(C(=O)N=c2[n-]nc(-c3ccccc3Cl)s2)o1 ZINC000487592417 1040978084 /nfs/dbraw/zinc/97/80/84/1040978084.db2.gz VBCVCVPSRLAOFB-UHFFFAOYSA-N -1 0 347.827 3.997 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2ccc(OC(C)(C)C)cn2)c1 ZINC000909829114 1041016728 /nfs/dbraw/zinc/01/67/28/1041016728.db2.gz AXFIEUJASMMDRM-GFCCVEGCSA-N -1 0 342.395 3.699 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)CCC[C@@H](O)c2ccccc2)cc1 ZINC000909836173 1041033398 /nfs/dbraw/zinc/03/33/98/1041033398.db2.gz MMFNOFIFBBXJAH-KBXCAEBGSA-N -1 0 341.407 3.717 20 0 EHADRM Cc1cc(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)nn1[C@H](C)C1CC1 ZINC000909837502 1041035165 /nfs/dbraw/zinc/03/51/65/1041035165.db2.gz WWLYZOZEOQKNRC-CHWSQXEVSA-N -1 0 341.411 3.603 20 0 EHADRM Cc1ccc(-c2ccncc2)cc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000586833418 1041048692 /nfs/dbraw/zinc/04/86/92/1041048692.db2.gz DPVRYUWOHVHXQO-IAGOWNOFSA-N -1 0 336.391 3.663 20 0 EHADRM O=[N+]([O-])c1ccc([O-])c(/C=N\CCCCOCCc2ccccc2)c1 ZINC000054892518 1041062533 /nfs/dbraw/zinc/06/25/33/1041062533.db2.gz QWGLJEFFOJSPOM-HKWRFOASSA-N -1 0 342.395 3.759 20 0 EHADRM CN(CCc1ccc(Cl)cc1)C(=O)c1ccccc1CCC(=O)[O-] ZINC000909922080 1041080267 /nfs/dbraw/zinc/08/02/67/1041080267.db2.gz YASWVHDPCLHPIN-UHFFFAOYSA-N -1 0 345.826 3.672 20 0 EHADRM CC(C)(CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21)CC(F)F ZINC000909961416 1041083946 /nfs/dbraw/zinc/08/39/46/1041083946.db2.gz MFYUJMFJXHJARP-AVGNSLFASA-N -1 0 331.403 3.550 20 0 EHADRM C[C@@]1(C(=O)[O-])[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000899759538 1041087086 /nfs/dbraw/zinc/08/70/86/1041087086.db2.gz QUVBJFYFZOHNNH-RKTKGFPOSA-N -1 0 339.313 3.557 20 0 EHADRM Cn1[n-]c(C(=O)N[C@H](CC2CCCCC2)c2ccccc2)cc1=O ZINC000667903194 1041092430 /nfs/dbraw/zinc/09/24/30/1041092430.db2.gz FAQSZDURQRPFRV-MRXNPFEDSA-N -1 0 327.428 3.567 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)CCCc2sccc2C)n1 ZINC000909955373 1041095013 /nfs/dbraw/zinc/09/50/13/1041095013.db2.gz SEHUCWXNHHKEPF-ZDUSSCGKSA-N -1 0 349.456 3.640 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2scnc2C2CCCC2)c(F)c1 ZINC000909987335 1041099889 /nfs/dbraw/zinc/09/98/89/1041099889.db2.gz QEKKKDDVJAFVIA-UHFFFAOYSA-N -1 0 348.399 3.568 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(Oc2ccccn2)cc1 ZINC000899770348 1041108379 /nfs/dbraw/zinc/10/83/79/1041108379.db2.gz MXZJUWALJYJJLF-AWEZNQCLSA-N -1 0 342.395 3.949 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])C[C@H]1C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000899772312 1041109850 /nfs/dbraw/zinc/10/98/50/1041109850.db2.gz VYVPNQLROHNXRW-QFBILLFUSA-N -1 0 340.379 3.559 20 0 EHADRM C[C@@]1(C(=O)[O-])[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N[C@@H](CC1CC1)c1ccccc1 ZINC000899772786 1041110818 /nfs/dbraw/zinc/11/08/18/1041110818.db2.gz XGQIOTAREDVGRE-IVPXXNPKSA-N -1 0 339.435 3.557 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1cc(F)ccc1Br ZINC000899774629 1041112124 /nfs/dbraw/zinc/11/21/24/1041112124.db2.gz SINAFRHOTJTYEG-VIFPVBQESA-N -1 0 346.196 3.664 20 0 EHADRM CSc1ccc(C)c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C(=O)[O-])c1 ZINC000899775525 1041112945 /nfs/dbraw/zinc/11/29/45/1041112945.db2.gz KRCLXJOCBOGLGW-XHUUTOEUSA-N -1 0 331.437 3.568 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1cccc(Br)c1F ZINC000899792387 1041117913 /nfs/dbraw/zinc/11/79/13/1041117913.db2.gz OKJYDKJAWBKFEK-VIFPVBQESA-N -1 0 346.196 3.664 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)c(Cl)c2)CC[C@@H]1C(=O)[O-] ZINC000909988604 1041121840 /nfs/dbraw/zinc/12/18/40/1041121840.db2.gz RWFZHRIMFANUBW-YPMHNXCESA-N -1 0 337.847 3.820 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])C[C@H]1C(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000899785183 1041122194 /nfs/dbraw/zinc/12/21/94/1041122194.db2.gz FIHWJMFLFXCTLY-LPHOPBHVSA-N -1 0 340.379 3.559 20 0 EHADRM CC[C@H](CNC(=O)C[C@H](C(=O)[O-])c1ccc(C)cc1)CC(F)(F)F ZINC000899789837 1041129318 /nfs/dbraw/zinc/12/93/18/1041129318.db2.gz XYBIAUMMXSSEQI-JSGCOSHPSA-N -1 0 345.361 3.648 20 0 EHADRM CN(Cc1ccc2ccccc2c1)C(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-] ZINC000899797073 1041131810 /nfs/dbraw/zinc/13/18/10/1041131810.db2.gz WQSVEPLTEQZWEO-GHDARCQNSA-N -1 0 349.430 3.711 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000614318952 1041166345 /nfs/dbraw/zinc/16/63/45/1041166345.db2.gz QPCGKTCNOXLNNK-FVQBIDKESA-N -1 0 337.847 3.591 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])C[C@@H]1C(=O)Nc1ccccc1COC(C)(C)C ZINC000899833490 1041179504 /nfs/dbraw/zinc/17/95/04/1041179504.db2.gz DHLAGRNPFLZCAU-AUUYWEPGSA-N -1 0 333.428 3.687 20 0 EHADRM Cc1coc2ccc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C(=O)[O-])cc12 ZINC000899828965 1041188924 /nfs/dbraw/zinc/18/89/24/1041188924.db2.gz VJGIQVRRYLSTTA-RYRUWHOVSA-N -1 0 325.364 3.593 20 0 EHADRM C/C(=C/C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])cs1)c1cccs1 ZINC000910102625 1041189757 /nfs/dbraw/zinc/18/97/57/1041189757.db2.gz KJDANCYBEFGKNI-CUZBXDDWSA-N -1 0 348.449 3.670 20 0 EHADRM C/C(=C/C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])cs1)c1ccccc1 ZINC000910111377 1041194122 /nfs/dbraw/zinc/19/41/22/1041194122.db2.gz DLGHHGFEFYUYCF-KUGGDMIFSA-N -1 0 342.420 3.608 20 0 EHADRM O=C([O-])c1cc(F)c(F)cc1C(=O)NCCC1CCC(F)(F)CC1 ZINC000899852962 1041212772 /nfs/dbraw/zinc/21/27/72/1041212772.db2.gz ODCISEJKKUEOMX-UHFFFAOYSA-N -1 0 347.308 3.608 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cc2c(cccc2F)s1 ZINC000390659679 1041246674 /nfs/dbraw/zinc/24/66/74/1041246674.db2.gz PMGWASHRWVQUFN-LLVKDONJSA-N -1 0 335.400 3.900 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc3c2OCCC3)sc1Cl ZINC000473488460 1041307707 /nfs/dbraw/zinc/30/77/07/1041307707.db2.gz MYKDDQDOPGPEFH-UHFFFAOYSA-N -1 0 343.857 3.836 20 0 EHADRM CC(C)(C)c1ccc(O)c([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000319604827 1041422104 /nfs/dbraw/zinc/42/21/04/1041422104.db2.gz XPLUZCXJCCKDIO-UHFFFAOYSA-N -1 0 341.379 3.769 20 0 EHADRM O=C([O-])CN(CCc1ccccc1)C(=O)CC/C=C/c1ccccc1 ZINC000431998716 1041456001 /nfs/dbraw/zinc/45/60/01/1041456001.db2.gz AFQAXIICXZEMRV-NTUHNPAUSA-N -1 0 337.419 3.636 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@@H](C)c1ccc(Cl)s1)CC(=O)[O-] ZINC000652089103 1041548698 /nfs/dbraw/zinc/54/86/98/1041548698.db2.gz RCRIHHVLSZBJGZ-QWRGUYRKSA-N -1 0 331.865 3.758 20 0 EHADRM Cc1n[n-]c(=NCCc2ccc(OCc3ccccc3)cc2)s1 ZINC000390761151 1041583642 /nfs/dbraw/zinc/58/36/42/1041583642.db2.gz ZZLVIHLODKTIPY-UHFFFAOYSA-N -1 0 325.437 3.502 20 0 EHADRM Cc1ccccc1C[C@@H](C)NC(=O)c1c(C)ccc(C)c1C(=O)[O-] ZINC000392360048 1041625911 /nfs/dbraw/zinc/62/59/11/1041625911.db2.gz AFLBGCPBSCBZKE-OAHLLOKOSA-N -1 0 325.408 3.671 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1Cl ZINC000647692197 1041664552 /nfs/dbraw/zinc/66/45/52/1041664552.db2.gz CNLJHWLFTWIGTG-WDEREUQCSA-N -1 0 340.807 3.502 20 0 EHADRM COC(=O)c1cnc2ccc(Nc3ccc(C(=O)[O-])c(C)c3)cc2c1 ZINC001211660617 1041683081 /nfs/dbraw/zinc/68/30/81/1041683081.db2.gz CXNDVCAKYVPEGB-UHFFFAOYSA-N -1 0 336.347 3.772 20 0 EHADRM [O-]C(Nc1nc(-c2cccc(Cl)c2)ns1)=C1Cc2ccccc21 ZINC000607811839 1041760937 /nfs/dbraw/zinc/76/09/37/1041760937.db2.gz PCHRLARVAKXQBK-CQSZACIVSA-N -1 0 341.823 3.559 20 0 EHADRM CCN(CCc1ccccc1)C(=O)c1cccc(Br)c1[O-] ZINC000592832971 1041927701 /nfs/dbraw/zinc/92/77/01/1041927701.db2.gz ZPTBBOVMLPKDCN-UHFFFAOYSA-N -1 0 348.240 3.860 20 0 EHADRM CCc1oc(C(=O)Nc2ccc(OC(C)C)cc2C)cc1C(=O)[O-] ZINC000549551881 1042214591 /nfs/dbraw/zinc/21/45/91/1042214591.db2.gz VMYLBLJIBSZJPY-UHFFFAOYSA-N -1 0 331.368 3.888 20 0 EHADRM Cc1ccccc1[C@H]1C[C@H](N=c2[n-]nc(C3CCOCC3)s2)C1 ZINC000549562932 1042274627 /nfs/dbraw/zinc/27/46/27/1042274627.db2.gz DCFJKZRAARHPCY-SHTZXODSSA-N -1 0 329.469 3.521 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2cc(C(C)C)oc2C)n1 ZINC000659182048 1042321284 /nfs/dbraw/zinc/32/12/84/1042321284.db2.gz GNPULHPBJYJVHL-ZDUSSCGKSA-N -1 0 333.388 3.586 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(OC(F)F)cc2)CCCCCC1 ZINC000663029258 1042361884 /nfs/dbraw/zinc/36/18/84/1042361884.db2.gz KLINWVJWSFMDJN-UHFFFAOYSA-N -1 0 327.327 3.652 20 0 EHADRM CSc1[n-]c(=O)c(C(=O)Nc2ccc3ccccc3c2)cc1C#N ZINC000027605980 1042364401 /nfs/dbraw/zinc/36/44/01/1042364401.db2.gz LOXVJHXIVZKCCJ-UHFFFAOYSA-N -1 0 335.388 3.786 20 0 EHADRM CCCOc1ccc(NC(=O)C2(C(=O)[O-])CC=CC2)cc1OCCC ZINC000663070152 1042419775 /nfs/dbraw/zinc/41/97/75/1042419775.db2.gz MKHVNNMCTBRATL-UHFFFAOYSA-N -1 0 347.411 3.624 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)s1 ZINC000042350432 1042437383 /nfs/dbraw/zinc/43/73/83/1042437383.db2.gz NQFJHKBFUJUGAC-UHFFFAOYSA-N -1 0 346.271 3.874 20 0 EHADRM Cc1ccc(-c2csc(NC(=O)C3(C(=O)[O-])CC=CC3)n2)c(C)c1 ZINC000663093677 1042440794 /nfs/dbraw/zinc/44/07/94/1042440794.db2.gz XEWFTXFNBRZSKZ-UHFFFAOYSA-N -1 0 342.420 3.786 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000663106142 1042457493 /nfs/dbraw/zinc/45/74/93/1042457493.db2.gz WNNCMKFKGXTFKZ-OAHLLOKOSA-N -1 0 328.368 3.559 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2csc3c2CCCC3)n1 ZINC000659184912 1042463310 /nfs/dbraw/zinc/46/33/10/1042463310.db2.gz JWGJLVCFUBUZKO-ZDUSSCGKSA-N -1 0 347.440 3.502 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2cccc3c2ccn3C(F)F)CC=CCC1 ZINC000663126551 1042475999 /nfs/dbraw/zinc/47/59/99/1042475999.db2.gz WAJBKUVALMZNBD-QGZVFWFLSA-N -1 0 334.322 3.786 20 0 EHADRM O=C([O-])[C@H](CNC(=O)CSc1ccc2ccccc2c1)C1CCC1 ZINC000663146537 1042491652 /nfs/dbraw/zinc/49/16/52/1042491652.db2.gz GZUOEXGJQPMSDM-QGZVFWFLSA-N -1 0 343.448 3.549 20 0 EHADRM CC[C@@H]1C[C@@H](C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)CCO1 ZINC000248526726 1042527084 /nfs/dbraw/zinc/52/70/84/1042527084.db2.gz CWZJJANOXGQOKJ-LZWOXQAQSA-N -1 0 338.407 3.573 20 0 EHADRM COc1ccccc1-c1noc(-c2cccc(Br)c2[O-])n1 ZINC000544616684 1042553059 /nfs/dbraw/zinc/55/30/59/1042553059.db2.gz CTAWSFZARVKVSD-UHFFFAOYSA-N -1 0 347.168 3.880 20 0 EHADRM Cc1csc([C@@H](C)CNC(=O)c2c([O-])cc(Cl)cc2Cl)n1 ZINC000184723586 1042613195 /nfs/dbraw/zinc/61/31/95/1042613195.db2.gz LZLUILYZYMVZLQ-ZETCQYMHSA-N -1 0 345.251 3.997 20 0 EHADRM Cc1ncc(-c2ccc(NC(=O)c3cc(F)c([O-])c(F)c3)cc2)o1 ZINC000186446169 1042661737 /nfs/dbraw/zinc/66/17/37/1042661737.db2.gz WTOKUVVEALDEPE-UHFFFAOYSA-N -1 0 330.290 3.886 20 0 EHADRM CCn1c2ccc(C(=O)[O-])cc2nc1CN1CCC[C@@H]2CCCC[C@@H]21 ZINC000663316160 1042670731 /nfs/dbraw/zinc/67/07/31/1042670731.db2.gz TVZRQQYUKNASDG-YOEHRIQHSA-N -1 0 341.455 3.909 20 0 EHADRM COc1ccc(OC(F)F)c(NC(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000186625269 1042678867 /nfs/dbraw/zinc/67/88/67/1042678867.db2.gz UJJZLUQUCMYOFJ-UHFFFAOYSA-N -1 0 345.248 3.533 20 0 EHADRM O=C(NCCc1csc2ccccc12)c1cc(F)c([O-])c(F)c1 ZINC000186640687 1042682447 /nfs/dbraw/zinc/68/24/47/1042682447.db2.gz RUTSWJJFWULTRA-UHFFFAOYSA-N -1 0 333.359 3.858 20 0 EHADRM CCCCOc1ccc(NC(=O)NC[C@@H](C(=O)[O-])C2CCC2)c(C)c1 ZINC000663343216 1042724935 /nfs/dbraw/zinc/72/49/35/1042724935.db2.gz IMTJEKPQAJKSHQ-MRXNPFEDSA-N -1 0 348.443 3.796 20 0 EHADRM CCc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)oc1CC ZINC000659194470 1042731829 /nfs/dbraw/zinc/73/18/29/1042731829.db2.gz UEYFIFFATDCBSV-SOUVJXGZSA-N -1 0 333.428 3.510 20 0 EHADRM Cc1c(NC(=O)NC[C@H](C(=O)[O-])C2CCC2)cccc1C(F)(F)F ZINC000663348658 1042738813 /nfs/dbraw/zinc/73/88/13/1042738813.db2.gz HZIHUEWUFQGYOH-NSHDSACASA-N -1 0 344.333 3.636 20 0 EHADRM CC(C)c1ccccc1NC(=O)c1ncc(Br)cc1[O-] ZINC001141378917 1042780163 /nfs/dbraw/zinc/78/01/63/1042780163.db2.gz LZFMKCVFJUACSN-UHFFFAOYSA-N -1 0 335.201 3.925 20 0 EHADRM Fc1cccc(C2(CN=c3[n-]nc(C(F)F)o3)CCCCC2)c1 ZINC000432326542 1042903064 /nfs/dbraw/zinc/90/30/64/1042903064.db2.gz PGJSKPNAHLHDSK-UHFFFAOYSA-N -1 0 325.334 3.882 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000321530638 1042927902 /nfs/dbraw/zinc/92/79/02/1042927902.db2.gz DVAQPHGTLGOMOC-VXGBXAGGSA-N -1 0 327.302 3.619 20 0 EHADRM O=C([N-]S(=O)(=O)CC1CCCCC1)C1(c2ccccc2F)CC1 ZINC000077867744 1042934016 /nfs/dbraw/zinc/93/40/16/1042934016.db2.gz CDOPUKIZKTVNNX-UHFFFAOYSA-N -1 0 339.432 3.724 20 0 EHADRM CCOC(=O)c1cnc(NC(=O)c2sccc2-c2ccccc2)[n-]1 ZINC000585682232 1042952897 /nfs/dbraw/zinc/95/28/97/1042952897.db2.gz NKZHKZVGEOBBQW-UHFFFAOYSA-N -1 0 341.392 3.567 20 0 EHADRM FC(F)(F)c1ccccc1[C@@H]1C[C@H]1N=c1[n-]nc(C2CC2)s1 ZINC000432350307 1042986613 /nfs/dbraw/zinc/98/66/13/1042986613.db2.gz YGZWFBWLQZTRIG-CMPLNLGQSA-N -1 0 325.359 3.824 20 0 EHADRM COc1ccc(C(=O)[O-])cc1NCc1ccc(Br)cc1 ZINC000020879925 1043063733 /nfs/dbraw/zinc/06/37/33/1043063733.db2.gz KNGJGVUIKNOCMF-UHFFFAOYSA-N -1 0 336.185 3.768 20 0 EHADRM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H]1Cc2ccccc2S1 ZINC000077882544 1043098132 /nfs/dbraw/zinc/09/81/32/1043098132.db2.gz STPSLWVDBLSZDY-MLGOLLRUSA-N -1 0 347.461 3.751 20 0 EHADRM CCc1ccc(CN(C)C(=O)c2ccc3[n-]c(=S)oc3c2)cc1 ZINC000261426798 1043496038 /nfs/dbraw/zinc/49/60/38/1043496038.db2.gz MGWFTCIQKMULAX-UHFFFAOYSA-N -1 0 326.421 3.951 20 0 EHADRM Cc1ccc(C2(CNC(=O)CC(C)(C)CC(=O)[O-])CCC2)cc1C ZINC000432503411 1043580609 /nfs/dbraw/zinc/58/06/09/1043580609.db2.gz FJUTYDJIQAQZJQ-UHFFFAOYSA-N -1 0 331.456 3.732 20 0 EHADRM O=C([O-])COc1cccc(C(=O)/C=C/c2ccc(Cl)c(F)c2)c1 ZINC000067006179 1043765428 /nfs/dbraw/zinc/76/54/28/1043765428.db2.gz PTLJVQZKDKLQLS-FNORWQNLSA-N -1 0 334.730 3.839 20 0 EHADRM Cc1ccc(C)c(C(=O)NCC(C)(C)c2cccs2)c1C(=O)[O-] ZINC000391174439 1043870520 /nfs/dbraw/zinc/87/05/20/1043870520.db2.gz HGTSWLWQYWAWFW-UHFFFAOYSA-N -1 0 331.437 3.771 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000324285603 1044261211 /nfs/dbraw/zinc/26/12/11/1044261211.db2.gz QINWBOSNOPSFIM-LBPRGKRZSA-N -1 0 333.359 3.740 20 0 EHADRM O=S(=O)([N-]c1nccc2sccc21)c1cnc2ccccc2c1 ZINC000337786916 1044454042 /nfs/dbraw/zinc/45/40/42/1044454042.db2.gz XQYYMZZFBQIIMC-UHFFFAOYSA-N -1 0 341.417 3.645 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc(OCc3ccccc3)cc2)CCC1 ZINC000261588658 1044487325 /nfs/dbraw/zinc/48/73/25/1044487325.db2.gz VVFJTZUTZRZCFO-UHFFFAOYSA-N -1 0 339.391 3.849 20 0 EHADRM Cc1ccc([C@@H]2OCCC[C@H]2N=c2[n-]nc(C(F)F)s2)cc1 ZINC000337870007 1044507235 /nfs/dbraw/zinc/50/72/35/1044507235.db2.gz NETBUFMMTFQTFE-NEPJUHHUSA-N -1 0 325.384 3.538 20 0 EHADRM CN(Cc1ccc(Br)o1)C(=O)c1cccc(Cl)c1[O-] ZINC000775658753 1135431866 /nfs/dbraw/zinc/43/18/66/1135431866.db2.gz RVRBHINRUNXKGT-UHFFFAOYSA-N -1 0 344.592 3.673 20 0 EHADRM Cc1cc(=O)c(C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)c[nH]1 ZINC000344955539 1044733902 /nfs/dbraw/zinc/73/39/02/1044733902.db2.gz WGCAMBXKASTOGJ-UHFFFAOYSA-N -1 0 347.585 3.601 20 0 EHADRM CCS[C@H]1CCC[C@H]1Nc1ncnc2sc(C(=O)[O-])c(C)c21 ZINC000318790434 1044875185 /nfs/dbraw/zinc/87/51/85/1044875185.db2.gz FUFHUCPMQVFENI-ZJUUUORDSA-N -1 0 337.470 3.784 20 0 EHADRM CC[C@@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000183557877 1125604057 /nfs/dbraw/zinc/60/40/57/1125604057.db2.gz SSBHTBWYRQGHJO-GHMZBOCLSA-N -1 0 331.503 3.533 20 0 EHADRM CN(C[C@H]1CCc2ccccc21)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000620687528 1125645431 /nfs/dbraw/zinc/64/54/31/1125645431.db2.gz NVOVGNMGSPMAIS-GFCCVEGCSA-N -1 0 333.790 3.987 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2nnc(-c3ccco3)o2)cc1 ZINC000153782737 1125659689 /nfs/dbraw/zinc/65/96/89/1125659689.db2.gz YOOXJLLQNKVEHG-LLVKDONJSA-N -1 0 347.396 3.644 20 0 EHADRM Cc1cnc([C@H](NC(=O)c2cc(F)cc(Cl)c2[O-])C2CC2)s1 ZINC000154677772 1125744095 /nfs/dbraw/zinc/74/40/95/1125744095.db2.gz OZHZOYJMIKXVSY-GFCCVEGCSA-N -1 0 340.807 3.831 20 0 EHADRM CC[C@@](NCc1cnc(C(C)(C)C)s1)(C(=O)[O-])c1ccccc1 ZINC000901649914 1126128905 /nfs/dbraw/zinc/12/89/05/1126128905.db2.gz HAPKGVDIZWBSRX-SFHVURJKSA-N -1 0 332.469 3.920 20 0 EHADRM CC(C)c1ncc(NC(=O)c2cccc(C(F)(F)F)c2[O-])cn1 ZINC000622576871 1126727630 /nfs/dbraw/zinc/72/76/30/1126727630.db2.gz RQZKDTWQNPFGPC-UHFFFAOYSA-N -1 0 325.290 3.577 20 0 EHADRM CC(C)C[C@@H](NC(=O)/C=C/c1ccc2ccc(Cl)cc2n1)C(=O)[O-] ZINC000185317112 1126866303 /nfs/dbraw/zinc/86/63/03/1126866303.db2.gz KVOPHMQVACCZMY-KXPUMZMLSA-N -1 0 346.814 3.517 20 0 EHADRM CO[C@@H](C)c1nc(C)c(C(=O)Nc2cccc(Cl)c2[O-])s1 ZINC000175273048 1126869108 /nfs/dbraw/zinc/86/91/08/1126869108.db2.gz OYAVIPWUIOLXGF-QMMMGPOBSA-N -1 0 326.805 3.770 20 0 EHADRM Cc1noc(C)c1[N-]S(=O)(=O)c1ccc2oc3ccccc3c2c1 ZINC000623336675 1126918859 /nfs/dbraw/zinc/91/88/59/1126918859.db2.gz UPMUCEZIFFOZCO-UHFFFAOYSA-N -1 0 342.376 3.992 20 0 EHADRM Cc1ncccc1[N-]S(=O)(=O)c1ccc(SC(F)(F)F)cc1 ZINC000072913647 1126928381 /nfs/dbraw/zinc/92/83/81/1126928381.db2.gz ZQNVGTHSWJBDGN-UHFFFAOYSA-N -1 0 348.371 3.803 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)N([C@@H](C)C(=O)[O-])C1CCC1 ZINC000580614336 1126934866 /nfs/dbraw/zinc/93/48/66/1126934866.db2.gz XCJGSXPNBGMOKT-GJZGRUSLSA-N -1 0 346.471 3.780 20 0 EHADRM CN(C(=O)C1CC1)c1ccccc1C(=O)Nc1cccc(Cl)c1[O-] ZINC000073144144 1127099252 /nfs/dbraw/zinc/09/92/52/1127099252.db2.gz BSWZILPVIVHCKO-UHFFFAOYSA-N -1 0 344.798 3.671 20 0 EHADRM CC(C)Oc1ccc(C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)cc1 ZINC000325113634 1127339972 /nfs/dbraw/zinc/33/99/72/1127339972.db2.gz JHIJUCBXWRGVJW-XGICHPGQSA-N -1 0 325.364 3.824 20 0 EHADRM CC(C)Oc1ccc(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000325113633 1127340124 /nfs/dbraw/zinc/34/01/24/1127340124.db2.gz JHIJUCBXWRGVJW-LFYBBSHMSA-N -1 0 325.364 3.824 20 0 EHADRM Cc1nn(-c2ccccc2)cc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000184571193 1127409081 /nfs/dbraw/zinc/40/90/81/1127409081.db2.gz HASGMTCWIYMNRF-UHFFFAOYSA-N -1 0 347.296 3.556 20 0 EHADRM C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H]1c2ccccc2CCC1(C)C ZINC000184734543 1127412533 /nfs/dbraw/zinc/41/25/33/1127412533.db2.gz SRDXYZJIKZKNTD-GXFFZTMASA-N -1 0 335.391 3.570 20 0 EHADRM COC(=O)c1cc(C)c(C(=O)[N-]c2c(C)noc2-c2ccccc2)o1 ZINC001127875179 1127623018 /nfs/dbraw/zinc/62/30/18/1127623018.db2.gz PSLOCYYIEHABGE-UHFFFAOYSA-N -1 0 340.335 3.590 20 0 EHADRM CCC(CC)(CC(=O)Nc1cc(Cl)c(OC)cc1OC)C(=O)[O-] ZINC000011259018 1127638571 /nfs/dbraw/zinc/63/85/71/1127638571.db2.gz MZQGKUJOVOIAGV-UHFFFAOYSA-N -1 0 343.807 3.577 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)cc1 ZINC000024220153 1127703587 /nfs/dbraw/zinc/70/35/87/1127703587.db2.gz VLPYHOQPALBQOT-UHFFFAOYSA-N -1 0 340.404 3.547 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000172110482 1127747476 /nfs/dbraw/zinc/74/74/76/1127747476.db2.gz SYQWQMSCIMBQBC-AWEZNQCLSA-N -1 0 347.798 3.856 20 0 EHADRM C[C@@H]1CN(C(=O)CCCc2ccc(C(C)(C)C)cc2)CC[C@@H]1C(=O)[O-] ZINC000449002110 1127754054 /nfs/dbraw/zinc/75/40/54/1127754054.db2.gz LZGUUHZZFVASQD-QAPCUYQASA-N -1 0 345.483 3.876 20 0 EHADRM CC(C)[C@@H](CNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000671643405 1127758285 /nfs/dbraw/zinc/75/82/85/1127758285.db2.gz WMJZDVIFSKXUHX-IXDOHACOSA-N -1 0 349.858 3.863 20 0 EHADRM O=S(=O)(Cc1cccc(F)c1)[N-]c1csc(-c2ccccc2)n1 ZINC000671663199 1127773877 /nfs/dbraw/zinc/77/38/77/1127773877.db2.gz FRHFWYSBAPOBDP-UHFFFAOYSA-N -1 0 348.424 3.891 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2OC(F)F)ccc1F ZINC000105589631 1127982095 /nfs/dbraw/zinc/98/20/95/1127982095.db2.gz VNAAKRSOLIYNQG-UHFFFAOYSA-N -1 0 331.315 3.536 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccccc2Cl)n(-c2ccccc2)n1 ZINC000057734577 1128056117 /nfs/dbraw/zinc/05/61/17/1128056117.db2.gz GNXUIPNUIPPOGQ-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1c(C)cccc1CC ZINC000058518846 1128070530 /nfs/dbraw/zinc/07/05/30/1128070530.db2.gz RLXDDVAEGYLBDN-UHFFFAOYSA-N -1 0 347.436 3.619 20 0 EHADRM Cc1nn(C)c(C)c1-c1nc(-c2ccc3[n-]c(=S)sc3c2)no1 ZINC001212373037 1128106451 /nfs/dbraw/zinc/10/64/51/1128106451.db2.gz RHNQAZVFMFVYSP-UHFFFAOYSA-N -1 0 343.437 3.652 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cnc(C(C)(C)C)nc2)cc1 ZINC000063850182 1128159226 /nfs/dbraw/zinc/15/92/26/1128159226.db2.gz KZXCTUXBQZSXAP-UHFFFAOYSA-N -1 0 347.484 3.872 20 0 EHADRM C=CCOc1cccc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000067456457 1128241238 /nfs/dbraw/zinc/24/12/38/1128241238.db2.gz JQMZPFBKRVYXGV-HXUWFJFHSA-N -1 0 339.391 3.623 20 0 EHADRM O=C(Nc1nnc(-c2ccccc2)s1)c1cc(=O)c2ccccc2[n-]1 ZINC000067508822 1128242485 /nfs/dbraw/zinc/24/24/85/1128242485.db2.gz VWYHYOIUGPPUGZ-UHFFFAOYSA-N -1 0 348.387 3.711 20 0 EHADRM O=S(=O)([N-]c1ncc(Cc2ccc(F)cc2)s1)c1ccccc1 ZINC000069901872 1128293202 /nfs/dbraw/zinc/29/32/02/1128293202.db2.gz REDFUDKNNKQBFP-UHFFFAOYSA-N -1 0 348.424 3.674 20 0 EHADRM Clc1oc2ccccc2c1CN=c1nc(C2CCOCC2)[n-]s1 ZINC000624530752 1128387597 /nfs/dbraw/zinc/38/75/97/1128387597.db2.gz UIKIBORBROZYBB-UHFFFAOYSA-N -1 0 349.843 3.866 20 0 EHADRM O=C([N-]S(=O)(=O)CC1CC1)c1sccc1-c1ccc(F)cc1 ZINC000073537101 1128393037 /nfs/dbraw/zinc/39/30/37/1128393037.db2.gz RJAYJZMFXDCVBQ-UHFFFAOYSA-N -1 0 339.413 3.599 20 0 EHADRM CC(C)(C)c1ccc(SCC(=O)[N-]S(=O)(=O)CC2CC2)cc1 ZINC000073537865 1128395651 /nfs/dbraw/zinc/39/56/51/1128395651.db2.gz DKELATYPOVJVCG-UHFFFAOYSA-N -1 0 341.498 3.773 20 0 EHADRM Cc1cccc(C2(C(=O)Nc3cccc(-c4n[nH]c(=O)[n-]4)c3)CCC2)c1 ZINC000671855567 1128426911 /nfs/dbraw/zinc/42/69/11/1128426911.db2.gz QAHBQZDKECFJSA-UHFFFAOYSA-N -1 0 348.406 3.546 20 0 EHADRM O=S(=O)([N-]c1ncc(C(F)(F)F)s1)c1ccccc1Cl ZINC000473756398 1128453797 /nfs/dbraw/zinc/45/37/97/1128453797.db2.gz ASCAWJYHHRXCLX-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000054500287 1128476092 /nfs/dbraw/zinc/47/60/92/1128476092.db2.gz MXDOXPAELPCCHR-OWCLPIDISA-N -1 0 333.815 3.574 20 0 EHADRM CCN(C(=O)c1nn(-c2ccc(F)cc2)cc1[O-])c1ccccc1C ZINC000542784615 1128612512 /nfs/dbraw/zinc/61/25/12/1128612512.db2.gz KCUOPIFALQWPFL-UHFFFAOYSA-N -1 0 339.370 3.692 20 0 EHADRM CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)cc1 ZINC000057753378 1128664050 /nfs/dbraw/zinc/66/40/50/1128664050.db2.gz RIOPUYKVMOPALM-UHFFFAOYSA-N -1 0 337.379 3.992 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1coc(Br)c1 ZINC000353879457 1128670669 /nfs/dbraw/zinc/67/06/69/1128670669.db2.gz VBGUGSJEQREKBR-UHFFFAOYSA-N -1 0 334.528 3.793 20 0 EHADRM CCCCCc1nnc([N-]S(=O)(=O)c2cccc(C)c2F)s1 ZINC000542864678 1128708865 /nfs/dbraw/zinc/70/88/65/1128708865.db2.gz JHEYEWWADYCTJU-UHFFFAOYSA-N -1 0 343.449 3.519 20 0 EHADRM CC(C)CCN(C)C(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000072700678 1128733802 /nfs/dbraw/zinc/73/38/02/1128733802.db2.gz JGESMNMPHWZNRM-UHFFFAOYSA-N -1 0 334.641 3.926 20 0 EHADRM c1ccc(C[C@@H]2CC[C@@H](N=c3[n-]nc(C4CCOCC4)s3)C2)cc1 ZINC000338717016 1128745924 /nfs/dbraw/zinc/74/59/24/1128745924.db2.gz ZJVQUSHBJTZJKL-DOTOQJQBSA-N -1 0 343.496 3.677 20 0 EHADRM Cc1ccc2c(c1)[C@H](N=c1[n-]nc(C3CCOCC3)s1)CCC2 ZINC000338725373 1128765622 /nfs/dbraw/zinc/76/56/22/1128765622.db2.gz KJJGANABUMYNRC-MRXNPFEDSA-N -1 0 329.469 3.652 20 0 EHADRM N#Cc1ccc(C(=O)[O-])nc1/C=C/c1ccc(Br)cc1 ZINC000075474330 1128861958 /nfs/dbraw/zinc/86/19/58/1128861958.db2.gz ZYGVRCJBFWOAMP-XVNBXDOJSA-N -1 0 329.153 3.584 20 0 EHADRM Cc1cc(C(=O)Nc2cc(C#N)ccc2[O-])sc1Br ZINC000081804644 1120034262 /nfs/dbraw/zinc/03/42/62/1120034262.db2.gz TYMUWIWLUJECPY-UHFFFAOYSA-N -1 0 337.198 3.649 20 0 EHADRM O=C(NCc1c(Cl)cccc1OC(F)F)c1ccc(F)cc1[O-] ZINC001648977338 1120316452 /nfs/dbraw/zinc/31/64/52/1120316452.db2.gz QSDBGZOUCSOAHS-UHFFFAOYSA-N -1 0 345.704 3.716 20 0 EHADRM COc1ncc(C(F)(F)F)cc1-c1ccc(F)c(C(=O)[O-])c1F ZINC001205099877 1120384718 /nfs/dbraw/zinc/38/47/18/1120384718.db2.gz BNAVUSAKJDZZFR-UHFFFAOYSA-N -1 0 333.212 3.752 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1c(C)cccc1SC ZINC000185333635 1120409322 /nfs/dbraw/zinc/40/93/22/1120409322.db2.gz YPCATXPHYXSCSU-UHFFFAOYSA-N -1 0 329.468 3.588 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cnc(Cl)cc2C)c1 ZINC000153014066 1120525675 /nfs/dbraw/zinc/52/56/75/1120525675.db2.gz ANDZSLYYQORPRB-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM O=S(=O)([N-]c1ccc2scnc2c1)c1ccc(F)cc1Cl ZINC000195107479 1120764949 /nfs/dbraw/zinc/76/49/49/1120764949.db2.gz TVJBTEMOKOXFJF-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM CC[C@@H](C)Oc1cc(C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)ccn1 ZINC000761671340 1120780382 /nfs/dbraw/zinc/78/03/82/1120780382.db2.gz RDXOHNAZYDIRGR-OYVUYXNMSA-N -1 0 340.379 3.609 20 0 EHADRM C/C(=C\c1ccccc1Cl)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000761743991 1120867274 /nfs/dbraw/zinc/86/72/74/1120867274.db2.gz VWANJTNXKGBDGK-SICOMBFOSA-N -1 0 343.810 3.728 20 0 EHADRM CS[C@H]1CCC[C@@H](NC(=O)c2ccc(Br)cc2O)C1 ZINC000227384158 1120878719 /nfs/dbraw/zinc/87/87/19/1120878719.db2.gz UBZMYGUVZKKIBT-MNOVXSKESA-N -1 0 344.274 3.559 20 0 EHADRM Cc1cnc(C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)c([O-])c1 ZINC000495114547 1120962456 /nfs/dbraw/zinc/96/24/56/1120962456.db2.gz UYFWJBFWKOLDMM-UHFFFAOYSA-N -1 0 337.257 3.508 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)COc2ccc(F)c(Cl)c2)cc1 ZINC000914729833 1120966417 /nfs/dbraw/zinc/96/64/17/1120966417.db2.gz APZWMDOYYPXTJD-BAQGIRSFSA-N -1 0 349.745 3.594 20 0 EHADRM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c1 ZINC000761887406 1121002410 /nfs/dbraw/zinc/00/24/10/1121002410.db2.gz XCBBTXIRUCQHSF-UHFFFAOYSA-N -1 0 349.839 3.832 20 0 EHADRM CC(C)(C)OC(=O)N1CCC(c2noc(-c3ccccc3O)n2)CC1 ZINC000495434870 1121192389 /nfs/dbraw/zinc/19/23/89/1121192389.db2.gz UOGQZCFYPCIYSQ-UHFFFAOYSA-N -1 0 345.399 3.557 20 0 EHADRM C[C@@H]1Sc2ccc(C(=O)Nc3cccc(Cl)c3[O-])cc2NC1=O ZINC000077012428 1128975078 /nfs/dbraw/zinc/97/50/78/1128975078.db2.gz LHVPHTJCLZCSPR-QMMMGPOBSA-N -1 0 348.811 3.731 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1csc(-c2ccc(C)cc2C)n1 ZINC000237069084 1121473174 /nfs/dbraw/zinc/47/31/74/1121473174.db2.gz OKTAOGQHNUXUKF-CYBMUJFWSA-N -1 0 346.452 3.752 20 0 EHADRM COc1cc(CNC(=O)C[C@@H](C)c2ccccc2C)ccc1C(=O)[O-] ZINC000237342004 1121480378 /nfs/dbraw/zinc/48/03/78/1121480378.db2.gz AJYZMFMRCWHCOL-CQSZACIVSA-N -1 0 341.407 3.512 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000324432313 1121503339 /nfs/dbraw/zinc/50/33/39/1121503339.db2.gz QKCZEHPMYNSBNF-CYBMUJFWSA-N -1 0 344.333 3.957 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cc(=O)[nH]c2ccccc21 ZINC000672486505 1128990708 /nfs/dbraw/zinc/99/07/08/1128990708.db2.gz NACIBYMIUABAKG-UHFFFAOYSA-N -1 0 332.718 3.691 20 0 EHADRM O=C(CCCc1ccccc1)OCc1cc(=O)oc2cc(O)ccc12 ZINC000915587655 1121550318 /nfs/dbraw/zinc/55/03/18/1121550318.db2.gz SGKMLGVNRPNWQY-UHFFFAOYSA-N -1 0 338.359 3.565 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3[n-]c(=S)oc3c2)c1C ZINC000762961899 1121615407 /nfs/dbraw/zinc/61/54/07/1121615407.db2.gz BLLDRNKNWLZZQX-UHFFFAOYSA-N -1 0 329.381 3.516 20 0 EHADRM O=C(CCc1cccc(F)c1F)Nc1ccc2[n-]c(=S)oc2c1 ZINC000762966878 1121619314 /nfs/dbraw/zinc/61/93/14/1121619314.db2.gz JEAVYTXXSDDWLH-UHFFFAOYSA-N -1 0 334.347 3.966 20 0 EHADRM O=C(NCc1cccc(C(F)(F)F)c1)c1ccc([O-])c(Cl)c1 ZINC000025981747 1121640331 /nfs/dbraw/zinc/64/03/31/1121640331.db2.gz SDRVJATTXAOTQR-UHFFFAOYSA-N -1 0 329.705 3.994 20 0 EHADRM COc1cc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)ccc1Cl ZINC000325972271 1121710044 /nfs/dbraw/zinc/71/00/44/1121710044.db2.gz WHSIZSMHYNEVAO-GOSISDBHSA-N -1 0 347.798 3.720 20 0 EHADRM CC(C)(C)c1nnc([N-]C(=O)c2cc(-c3ccccc3)no2)s1 ZINC000055977166 1121902262 /nfs/dbraw/zinc/90/22/62/1121902262.db2.gz QTHMPDIPURZZKD-UHFFFAOYSA-N -1 0 328.397 3.743 20 0 EHADRM Cc1ccc(-c2[n-][nH]c(=NC(=O)[C@]3(C)CCc4ccccc43)c2C)o1 ZINC000648929252 1121928154 /nfs/dbraw/zinc/92/81/54/1121928154.db2.gz YMKWWQBFVCBRNR-HXUWFJFHSA-N -1 0 335.407 3.551 20 0 EHADRM O=C([O-])CC1(CC(=O)N[C@@H](c2ccco2)c2ccccc2)CCCC1 ZINC000326611094 1121970151 /nfs/dbraw/zinc/97/01/51/1121970151.db2.gz LSFBKYPTEMKFDL-LJQANCHMSA-N -1 0 341.407 3.910 20 0 EHADRM CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000916803550 1122351352 /nfs/dbraw/zinc/35/13/52/1122351352.db2.gz BQPGMWDJLGQFKU-MRXNPFEDSA-N -1 0 339.501 3.942 20 0 EHADRM C[C@H](CC1CC1)NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000497317824 1122448893 /nfs/dbraw/zinc/44/88/93/1122448893.db2.gz AOJRJCILDXLORC-MRVPVSSYSA-N -1 0 341.782 3.826 20 0 EHADRM C[C@H](Cc1ccccc1Cl)[N-]S(=O)(=O)c1c(F)cccc1F ZINC000917899975 1122704585 /nfs/dbraw/zinc/70/45/85/1122704585.db2.gz AOUIRADVALTKEV-SNVBAGLBSA-N -1 0 345.798 3.528 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccnc2OC(C)C)c1 ZINC000498012937 1122725574 /nfs/dbraw/zinc/72/55/74/1122725574.db2.gz RCIZSAOEGJRNCI-UHFFFAOYSA-N -1 0 340.832 3.631 20 0 EHADRM COc1ccc(NS(=O)(=O)c2ccc(C)c(Cl)c2)c(C)c1 ZINC000170708265 1122787772 /nfs/dbraw/zinc/78/77/72/1122787772.db2.gz SNMFPKCETGWZAP-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM CC1(C)CC[C@@H](CSc2n[n-]c(=NCc3ccccc3)s2)O1 ZINC000556287109 1122917908 /nfs/dbraw/zinc/91/79/08/1122917908.db2.gz GMJUWMCOHKLKBD-ZDUSSCGKSA-N -1 0 335.498 3.622 20 0 EHADRM CCOc1c(Cl)cc(NC(=O)N[C@@](C)(CC)C(=O)[O-])cc1Cl ZINC000556708134 1123089587 /nfs/dbraw/zinc/08/95/87/1123089587.db2.gz GUQPIHFUWFRQBC-AWEZNQCLSA-N -1 0 349.214 3.767 20 0 EHADRM C[N@H+](Cc1nc(=O)c2sccc2[n-]1)[C@@H]1CCc2c1cccc2Cl ZINC000131557622 1123137512 /nfs/dbraw/zinc/13/75/12/1123137512.db2.gz WCMGEXJSPODTNA-CQSZACIVSA-N -1 0 345.855 3.757 20 0 EHADRM O=C([N-]OCCC(F)(F)F)[C@H](Oc1ccccc1)c1ccccc1 ZINC000155081325 1123144769 /nfs/dbraw/zinc/14/47/69/1123144769.db2.gz SOHUDIHRTSNVCO-OAHLLOKOSA-N -1 0 339.313 3.807 20 0 EHADRM CCOc1cc(C(=O)N=c2nc(-c3ccccc3)[n-]s2)ccc1C ZINC000499089010 1123211267 /nfs/dbraw/zinc/21/12/67/1123211267.db2.gz PVWNBRPILZIODI-UHFFFAOYSA-N -1 0 339.420 3.586 20 0 EHADRM CN(C(=O)c1nn(-c2ccccc2)cc1[O-])[C@@H]1CCCc2ccccc21 ZINC000556933557 1123221307 /nfs/dbraw/zinc/22/13/07/1123221307.db2.gz HGBUYVSEHQXZTA-GOSISDBHSA-N -1 0 347.418 3.728 20 0 EHADRM CC1(C)CN(Cc2c([O-])nnn2-c2ccccc2)[C@@H]1c1ccccc1 ZINC000919949310 1123237058 /nfs/dbraw/zinc/23/70/58/1123237058.db2.gz QUGYMWCDJXPLKC-GOSISDBHSA-N -1 0 334.423 3.556 20 0 EHADRM Cc1cc2cccnc2c([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000132769385 1123298969 /nfs/dbraw/zinc/29/89/69/1123298969.db2.gz RCKHHLOMLKNANK-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM CC(C)Cn1ncc([N-]S(=O)(=O)c2ccccc2F)c1C(C)C ZINC000499267992 1123323276 /nfs/dbraw/zinc/32/32/76/1123323276.db2.gz RHKQHIGRIDNBKA-UHFFFAOYSA-N -1 0 339.436 3.602 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C(C)C)s1 ZINC000499268928 1123323824 /nfs/dbraw/zinc/32/38/24/1123323824.db2.gz XNOBPOSGKPEPCO-UHFFFAOYSA-N -1 0 341.502 3.833 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]c1cnn(CC(C)C)c1C(C)C ZINC000499268702 1123323929 /nfs/dbraw/zinc/32/39/29/1123323929.db2.gz AQDARTZGOLNNSC-UHFFFAOYSA-N -1 0 335.473 3.772 20 0 EHADRM C[C@H](CS(=O)(=O)[N-]c1ccccc1OC(F)F)c1ccccc1 ZINC000133419182 1123392829 /nfs/dbraw/zinc/39/28/29/1123392829.db2.gz OAPCESSDKDQHKJ-GFCCVEGCSA-N -1 0 341.379 3.833 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)NCC(CC)(CC)C(=O)[O-] ZINC000236899453 1123482000 /nfs/dbraw/zinc/48/20/00/1123482000.db2.gz WGSXLIHSCWOWHP-AWEZNQCLSA-N -1 0 335.444 3.586 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2ccc(CCCC(=O)[O-])cc2)cc1C ZINC000134615819 1123536396 /nfs/dbraw/zinc/53/63/96/1123536396.db2.gz IAQGNJCHJTYEFT-UHFFFAOYSA-N -1 0 347.436 3.512 20 0 EHADRM Cc1cc(NC(=O)c2ccc(N3CCCC3)c(F)c2)ccc1C(=O)[O-] ZINC000237834417 1123542051 /nfs/dbraw/zinc/54/20/51/1123542051.db2.gz WCTZCRRUROFYQL-UHFFFAOYSA-N -1 0 342.370 3.685 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000077444071 1123556773 /nfs/dbraw/zinc/55/67/73/1123556773.db2.gz SBNSUDRMLMQVKT-AWEZNQCLSA-N -1 0 345.782 3.752 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000077444074 1123556782 /nfs/dbraw/zinc/55/67/82/1123556782.db2.gz SBNSUDRMLMQVKT-CQSZACIVSA-N -1 0 345.782 3.752 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)CCc2ccc(Cl)s2)c1 ZINC000238100556 1123561602 /nfs/dbraw/zinc/56/16/02/1123561602.db2.gz IKDJDBJZIGBPNT-UHFFFAOYSA-N -1 0 327.764 3.810 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)c1 ZINC000238149962 1123566737 /nfs/dbraw/zinc/56/67/37/1123566737.db2.gz AYUCIUYOFGPAEJ-VXGBXAGGSA-N -1 0 335.281 3.544 20 0 EHADRM CC(C)c1cc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)n[nH]1 ZINC000135031921 1123575581 /nfs/dbraw/zinc/57/55/81/1123575581.db2.gz PEBNPWWKHOLNFZ-UHFFFAOYSA-N -1 0 334.228 3.641 20 0 EHADRM O=S(=O)([N-]c1cccc(Cl)c1O)c1cc(F)ccc1Cl ZINC000078002196 1123592423 /nfs/dbraw/zinc/59/24/23/1123592423.db2.gz WAQJQPZBFXNZGS-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccc(C)c(C)c3)c2C)o1 ZINC000135406368 1123609361 /nfs/dbraw/zinc/60/93/61/1123609361.db2.gz YTROXZIZZHBPCG-UHFFFAOYSA-N -1 0 345.424 3.704 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)ccn1)c1ccccc1C(F)(F)F ZINC000135787635 1123645527 /nfs/dbraw/zinc/64/55/27/1123645527.db2.gz ZVYPMWXDMNXDNP-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM O=S(=O)([N-]c1ccc2ncccc2c1)c1ccc(Cl)cc1F ZINC000135918409 1123653350 /nfs/dbraw/zinc/65/33/50/1123653350.db2.gz SXQVXFJJYGUAFN-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM O=C(Nc1cc(-c2ccncc2)[nH]n1)c1c([O-])cc(Cl)cc1Cl ZINC000080022642 1123735201 /nfs/dbraw/zinc/73/52/01/1123735201.db2.gz WTZVIROIQZXXRE-UHFFFAOYSA-N -1 0 349.177 3.736 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(CC(C)C)C(C)C)n1 ZINC000080477470 1123755575 /nfs/dbraw/zinc/75/55/75/1123755575.db2.gz ADWJFWPDOANXIX-UHFFFAOYSA-N -1 0 333.407 3.532 20 0 EHADRM O=C([N-]c1c(F)cccc1F)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000137543462 1123766369 /nfs/dbraw/zinc/76/63/69/1123766369.db2.gz GEPMMHVZTHJRFW-UHFFFAOYSA-N -1 0 342.301 3.807 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000237562433 1123769762 /nfs/dbraw/zinc/76/97/62/1123769762.db2.gz HSOCKFAUBCPQQM-RUNBWSAHSA-N -1 0 327.355 3.741 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000179976664 1123910927 /nfs/dbraw/zinc/91/09/27/1123910927.db2.gz AVTCBHDKTRWHSG-MCIONIFRSA-N -1 0 329.396 3.809 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2ccc(F)cc2F)C2CC2)s1 ZINC000237971043 1123929149 /nfs/dbraw/zinc/92/91/49/1123929149.db2.gz BNQVQKIZXPXSFV-UHFFFAOYSA-N -1 0 337.347 3.529 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000237959679 1123931339 /nfs/dbraw/zinc/93/13/39/1123931339.db2.gz IJMJEFZLGLTTGU-ZZXKWVIFSA-N -1 0 325.408 3.939 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cc2c(s1)CCCCC2 ZINC000237993711 1123941554 /nfs/dbraw/zinc/94/15/54/1123941554.db2.gz DJFNEPCJGSHRLQ-CQSZACIVSA-N -1 0 335.469 3.877 20 0 EHADRM CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@H](C)CC(=O)[O-] ZINC000263535927 1124025389 /nfs/dbraw/zinc/02/53/89/1124025389.db2.gz OOWGWXTTZNOZJT-YPMHNXCESA-N -1 0 345.361 3.501 20 0 EHADRM Cc1cccc(C(=O)/C(C#N)=C\c2ccccc2OCC(=O)[O-])c1C ZINC000068918327 1124058557 /nfs/dbraw/zinc/05/85/57/1124058557.db2.gz USLMUKLENLTBFN-YBEGLDIGSA-N -1 0 335.359 3.557 20 0 EHADRM CC[C@H]1CC[C@H](C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)CC1 ZINC000263555933 1124095676 /nfs/dbraw/zinc/09/56/76/1124095676.db2.gz YUZWKQPYHYISTC-JCNLHEQBSA-N -1 0 347.455 3.763 20 0 EHADRM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)[C@H](C)C(C)(C)C ZINC000734704215 1131268369 /nfs/dbraw/zinc/26/83/69/1131268369.db2.gz URGMELYOEHUVTG-ZDUSSCGKSA-N -1 0 339.501 3.780 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)[C@H](CC1CCCCC1)C(C)C ZINC000734713907 1131269198 /nfs/dbraw/zinc/26/91/98/1131269198.db2.gz CHTLJFWQCHWPMM-MRXNPFEDSA-N -1 0 331.522 3.864 20 0 EHADRM CCCc1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1 ZINC000734741389 1131270892 /nfs/dbraw/zinc/27/08/92/1131270892.db2.gz HEENWUHJDJDGAA-UHFFFAOYSA-N -1 0 326.421 3.988 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1Cc1nc(-c2ccccc2Cl)cs1 ZINC000263573656 1124625129 /nfs/dbraw/zinc/62/51/29/1124625129.db2.gz MRHFKCBUVOGVCA-AWEZNQCLSA-N -1 0 336.844 3.903 20 0 EHADRM CC(C)c1ccc2c(c1)CN(C(=O)Cc1ccc(O)c(F)c1)CC2 ZINC000617606465 1124674899 /nfs/dbraw/zinc/67/48/99/1124674899.db2.gz ZOLKJTBVNKEVIC-UHFFFAOYSA-N -1 0 327.399 3.782 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000250892054 1124869471 /nfs/dbraw/zinc/86/94/71/1124869471.db2.gz MPYDMVMFSXAIHU-FZQKWOKYSA-N -1 0 342.222 3.851 20 0 EHADRM CCCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccccc1C ZINC000735202970 1131316697 /nfs/dbraw/zinc/31/66/97/1131316697.db2.gz KTMZWVLNWADNNF-HNNXBMFYSA-N -1 0 325.474 3.797 20 0 EHADRM CCCCS(=O)(=O)[N-]C(=O)CCCC[C@H]1CCSS1 ZINC000069574740 1124905581 /nfs/dbraw/zinc/90/55/81/1124905581.db2.gz AIKHJBULQONYMI-NSHDSACASA-N -1 0 325.521 3.787 20 0 EHADRM Cc1ccsc1C(=O)/C(C#N)=C\c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000069621895 1124956843 /nfs/dbraw/zinc/95/68/43/1124956843.db2.gz MNPAZGOUPONOIT-UGMNDJHYSA-N -1 0 341.388 3.698 20 0 EHADRM C[C@H](NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)[C@H]1CC2CCC1CC2 ZINC000382286530 1125075594 /nfs/dbraw/zinc/07/55/94/1125075594.db2.gz ZVPUHUGVWABPLF-TXYIEAKKSA-N -1 0 343.467 3.750 20 0 EHADRM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccccc3F)cc2)oc1C ZINC000618475261 1125090026 /nfs/dbraw/zinc/09/00/26/1125090026.db2.gz FBHVPQYYBXPVSB-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM CCCC[C@@H](CC)CC(=O)[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000735400492 1131342344 /nfs/dbraw/zinc/34/23/44/1131342344.db2.gz SRSXVBNVEOYJOL-CQSZACIVSA-N -1 0 348.468 3.646 20 0 EHADRM Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)c1cc(F)c(F)c([O-])c1F ZINC000183027027 1125421443 /nfs/dbraw/zinc/42/14/43/1125421443.db2.gz QCPLNGQATVSLIN-VIFPVBQESA-N -1 0 337.297 3.546 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000068256628 1129355689 /nfs/dbraw/zinc/35/56/89/1129355689.db2.gz DRWCWQMBQBZKKN-MNOVXSKESA-N -1 0 325.817 3.667 20 0 EHADRM O=C(CCSc1ccccc1)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000068297734 1129359547 /nfs/dbraw/zinc/35/95/47/1129359547.db2.gz SKXVFUJSACHATF-UHFFFAOYSA-N -1 0 341.392 3.563 20 0 EHADRM CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1c([O-])cc(F)cc1F ZINC000673403572 1129361128 /nfs/dbraw/zinc/36/11/28/1129361128.db2.gz FJKYOLOAVWMTKN-OAHLLOKOSA-N -1 0 335.350 3.902 20 0 EHADRM CC(C)[C@@H](NC(=O)c1n[n-]c2ccccc2c1=O)c1ccc(F)cc1 ZINC000735651270 1131369399 /nfs/dbraw/zinc/36/93/99/1131369399.db2.gz WKLRICIXKKKPHA-MRXNPFEDSA-N -1 0 339.370 3.602 20 0 EHADRM CC(C)CN(C)c1ccc(C(=O)N=c2[n-]nc(C(C)(C)C)s2)cc1 ZINC000499719338 1129409644 /nfs/dbraw/zinc/40/96/44/1129409644.db2.gz FGYHFQLCDSBCJR-UHFFFAOYSA-N -1 0 346.500 3.602 20 0 EHADRM Cc1c(NC(=O)CC(C)(C)CC(=O)[O-])cccc1OCC(F)(F)F ZINC000069164737 1129428194 /nfs/dbraw/zinc/42/81/94/1129428194.db2.gz HJRFVSWFMZSHSF-UHFFFAOYSA-N -1 0 347.333 3.766 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C(F)(F)F)o1 ZINC000673492027 1129461236 /nfs/dbraw/zinc/46/12/36/1129461236.db2.gz GETBTSRDUOXNLE-JTQLQIEISA-N -1 0 349.330 3.718 20 0 EHADRM Cc1cc(CNC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)ccc1Cl ZINC000543437145 1129487834 /nfs/dbraw/zinc/48/78/34/1129487834.db2.gz QSDUMJXMKBDCON-LJQANCHMSA-N -1 0 345.826 3.697 20 0 EHADRM Cc1ccc(NC(=O)Cc2cccc(OC(C)C)c2)c(C(=O)[O-])c1 ZINC000543447818 1129494513 /nfs/dbraw/zinc/49/45/13/1129494513.db2.gz ZKYQEEWLBZNBOD-UHFFFAOYSA-N -1 0 327.380 3.662 20 0 EHADRM C[C@@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(F)(F)F ZINC000673576033 1129579016 /nfs/dbraw/zinc/57/90/16/1129579016.db2.gz AQQWJVFMFQJZNR-ZCFIWIBFSA-N -1 0 343.779 3.784 20 0 EHADRM C[C@H]1c2ccsc2CCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000735875406 1131384541 /nfs/dbraw/zinc/38/45/41/1131384541.db2.gz BPIGKYBBZGEOHM-VIFPVBQESA-N -1 0 330.434 3.938 20 0 EHADRM Cc1c(C(=O)[O-])cnn1-c1cccc(NC(=O)c2cc(C)ccc2C)c1 ZINC000347777037 1129737483 /nfs/dbraw/zinc/73/74/83/1129737483.db2.gz MPRKOGZTVKRSOS-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccccc1O ZINC000509104228 1129752676 /nfs/dbraw/zinc/75/26/76/1129752676.db2.gz UJHGZIFNKJMADQ-UHFFFAOYSA-N -1 0 331.315 3.520 20 0 EHADRM C[C@H](c1ccccc1)[C@H](C)NC(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000673790203 1129846163 /nfs/dbraw/zinc/84/61/63/1129846163.db2.gz CBBBOICKLRRDAI-RLFYNMQTSA-N -1 0 325.408 3.553 20 0 EHADRM CCC(CC)c1n[n-]c(=NCc2ccc(Br)cn2)s1 ZINC000347824238 1129886224 /nfs/dbraw/zinc/88/62/24/1129886224.db2.gz RHJKHQSATIYVBV-UHFFFAOYSA-N -1 0 341.278 3.633 20 0 EHADRM COC(=O)CCc1ccc(Nc2ccc(C(=O)[O-])c(F)c2F)cc1 ZINC001212514976 1129929067 /nfs/dbraw/zinc/92/90/67/1129929067.db2.gz NYNDOMQWVBXGOQ-UHFFFAOYSA-N -1 0 335.306 3.512 20 0 EHADRM COC(=O)c1cc(C)c(F)cc1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212515687 1129929436 /nfs/dbraw/zinc/92/94/36/1129929436.db2.gz JRCXINXADKTVLI-UHFFFAOYSA-N -1 0 339.269 3.641 20 0 EHADRM CSc1cccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cn2)c1 ZINC000509195460 1129951758 /nfs/dbraw/zinc/95/17/58/1129951758.db2.gz JVYWVNICHSLMPN-UHFFFAOYSA-N -1 0 349.264 3.911 20 0 EHADRM COc1ccc(CN=c2[n-]nc(CCC(C)C)o2)cc1OCC(C)C ZINC000347895513 1130099886 /nfs/dbraw/zinc/09/98/86/1130099886.db2.gz NRMAUHLQSWIMTL-UHFFFAOYSA-N -1 0 347.459 3.736 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N(C)[C@@H]2CCCC[C@H]2C)n1 ZINC000674603315 1130147291 /nfs/dbraw/zinc/14/72/91/1130147291.db2.gz BZGIEWGQRLLDLO-GDBMZVCRSA-N -1 0 341.455 3.791 20 0 EHADRM CSc1ccncc1[N-]S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000674715414 1130179297 /nfs/dbraw/zinc/17/92/97/1130179297.db2.gz PLYXGRDAPGYEDE-UHFFFAOYSA-N -1 0 328.846 3.566 20 0 EHADRM CSc1cc(C)ccc1CNC(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC000674901249 1130218534 /nfs/dbraw/zinc/21/85/34/1130218534.db2.gz CMFIBXOBSFEOLG-INIZCTEOSA-N -1 0 343.448 3.592 20 0 EHADRM CCOc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)n1 ZINC000675104683 1130254567 /nfs/dbraw/zinc/25/45/67/1130254567.db2.gz GGFIEWVLUXKKAL-UHFFFAOYSA-N -1 0 347.223 3.588 20 0 EHADRM Cc1ccnc(F)c1Nc1cccc2cc(S(=O)(=O)[O-])ccc21 ZINC001212559284 1130382546 /nfs/dbraw/zinc/38/25/46/1130382546.db2.gz GWYLVTWWHCAZHQ-UHFFFAOYSA-N -1 0 332.356 3.673 20 0 EHADRM CCc1cccc(NS(=O)(=O)c2ccc(F)c(OC)c2)c1CC ZINC000486076560 1130438197 /nfs/dbraw/zinc/43/81/97/1130438197.db2.gz DBWIYEWXUAKORN-UHFFFAOYSA-N -1 0 337.416 3.760 20 0 EHADRM CCc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1CC ZINC000486091937 1130440777 /nfs/dbraw/zinc/44/07/77/1130440777.db2.gz YMWSGCNKRQWKLH-UHFFFAOYSA-N -1 0 347.436 3.619 20 0 EHADRM CCn1c(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc2ccccc21 ZINC000675948388 1130508091 /nfs/dbraw/zinc/50/80/91/1130508091.db2.gz PIUUSCPFICQSPP-LESCRADOSA-N -1 0 340.423 3.519 20 0 EHADRM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000676001662 1130516201 /nfs/dbraw/zinc/51/62/01/1130516201.db2.gz NGPIMCVHTSIOQR-KGLIPLIRSA-N -1 0 345.782 3.789 20 0 EHADRM CC(C)(CNC(=O)c1cc(F)cc(Cl)c1[O-])[C@@H]1CCCCO1 ZINC000676178138 1130542885 /nfs/dbraw/zinc/54/28/85/1130542885.db2.gz PBKUCAFKXWYNOP-ZDUSSCGKSA-N -1 0 329.799 3.510 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1n[n-]c2ccccc2c1=O ZINC000731871640 1130856318 /nfs/dbraw/zinc/85/63/18/1130856318.db2.gz PDJYYLMXUJAUIC-AWEZNQCLSA-N -1 0 349.434 3.822 20 0 EHADRM CC[C@H](NC(=O)c1n[n-]c2ccccc2c1=O)c1ccc(Cl)cc1 ZINC000731866486 1130856410 /nfs/dbraw/zinc/85/64/10/1130856410.db2.gz JJPLZOXITOJWGO-AWEZNQCLSA-N -1 0 341.798 3.870 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)n1 ZINC000731919969 1130861586 /nfs/dbraw/zinc/86/15/86/1130861586.db2.gz NUGXZUPDBOQZIG-UHFFFAOYSA-N -1 0 334.441 3.616 20 0 EHADRM CCCN(C(=O)c1n[n-]c2ccccc2c1=O)[C@@H]1CCc2ccccc21 ZINC000732278693 1130906160 /nfs/dbraw/zinc/90/61/60/1130906160.db2.gz SFHCXWNSKKSZKQ-GOSISDBHSA-N -1 0 347.418 3.875 20 0 EHADRM CC(C)(C)CS(=O)(=O)[N-]C(=O)C(C)(C)CCCc1ccccc1 ZINC000733057674 1130987586 /nfs/dbraw/zinc/98/75/86/1130987586.db2.gz ONKBBBZHEJBUFC-UHFFFAOYSA-N -1 0 339.501 3.528 20 0 EHADRM CCC(CC)CS(=O)(=O)[N-]C(=O)C[C@@H](c1ccccc1)C(C)C ZINC000733060805 1130990234 /nfs/dbraw/zinc/99/02/34/1130990234.db2.gz CLGWICYZFXPWHG-QGZVFWFLSA-N -1 0 339.501 3.699 20 0 EHADRM CCc1n[n-]c(=NC(=O)N2C[C@@H](C)CC[C@H]2c2ccccc2)s1 ZINC000348089345 1131148331 /nfs/dbraw/zinc/14/83/31/1131148331.db2.gz UZSODAKSCJMQDN-JSGCOSHPSA-N -1 0 330.457 3.528 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000734080745 1131193788 /nfs/dbraw/zinc/19/37/88/1131193788.db2.gz XLEQGKHWENHVCZ-MRXNPFEDSA-N -1 0 337.485 3.715 20 0 EHADRM COc1cc(C(=O)Nc2cccc(Cl)c2[O-])cc2c1O[C@H](C)C2 ZINC000736682643 1131431553 /nfs/dbraw/zinc/43/15/53/1131431553.db2.gz MSHHBPIPAZWUNZ-SECBINFHSA-N -1 0 333.771 3.630 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)Cc2c[nH]c3ccc(F)cc23)cc1 ZINC000738560362 1131473243 /nfs/dbraw/zinc/47/32/43/1131473243.db2.gz PMSKLKDNNQZYNI-BAQGIRSFSA-N -1 0 338.338 3.586 20 0 EHADRM CCCCc1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)c2ccccc2)cc1 ZINC000737348136 1131490839 /nfs/dbraw/zinc/49/08/39/1131490839.db2.gz VHBFGMXUAOBKMG-HNNXBMFYSA-N -1 0 345.464 3.850 20 0 EHADRM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cc2ccccc2s1 ZINC000737355014 1131513640 /nfs/dbraw/zinc/51/36/40/1131513640.db2.gz KEWSROCITXIOCL-LBPRGKRZSA-N -1 0 345.445 3.722 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccnn2-c2ccccc2)c1 ZINC000179542483 1131560066 /nfs/dbraw/zinc/56/00/66/1131560066.db2.gz DFBUKOZROGMRMS-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM Cc1cc(C)c(CNC(=O)c2ccc3[n-]c(=S)oc3c2)c(C)c1 ZINC000742247652 1131700633 /nfs/dbraw/zinc/70/06/33/1131700633.db2.gz RDUDPUYKLVMBSD-UHFFFAOYSA-N -1 0 326.421 3.972 20 0 EHADRM COc1ccc(F)cc1Nc1ccc(S(=O)(=O)[O-])c2ccccc12 ZINC001173956671 1132183176 /nfs/dbraw/zinc/18/31/76/1132183176.db2.gz DYQYTUGLVSWBPO-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM O=S(=O)(c1cccc(Nc2ccccc2[S-])c1)N1CCCC1 ZINC001174316237 1132315181 /nfs/dbraw/zinc/31/51/81/1132315181.db2.gz MQYUQQZWVQPHKL-UHFFFAOYSA-N -1 0 334.466 3.503 20 0 EHADRM CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000745967558 1132340641 /nfs/dbraw/zinc/34/06/41/1132340641.db2.gz OXHCAYOIZPSAES-LBPRGKRZSA-N -1 0 329.437 3.546 20 0 EHADRM CC(C)n1cnc2cc(Nc3nc[n-]c(=O)c3Br)ccc21 ZINC001174382512 1132344396 /nfs/dbraw/zinc/34/43/96/1132344396.db2.gz TYAMLHJNGKOSAC-UHFFFAOYSA-N -1 0 348.204 3.619 20 0 EHADRM COc1ccc(F)c(F)c1Nc1ccc(Cl)cc1S(=O)(=O)[O-] ZINC001174423586 1132349378 /nfs/dbraw/zinc/34/93/78/1132349378.db2.gz FZOSYEWIVZOWMI-UHFFFAOYSA-N -1 0 349.742 3.617 20 0 EHADRM COc1ccc(-c2cc(Nc3cccc(/C=C/C(=O)[O-])c3)n(C)n2)cc1 ZINC001174495431 1132371998 /nfs/dbraw/zinc/37/19/98/1132371998.db2.gz QWIPGRJWKIGEOR-IZZDOVSWSA-N -1 0 349.390 3.937 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCc2c(Cl)cccc2C1 ZINC000746288906 1132397939 /nfs/dbraw/zinc/39/79/39/1132397939.db2.gz FKVQBWGOCQXUJL-UHFFFAOYSA-N -1 0 344.823 3.968 20 0 EHADRM O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1F)c1ccc2[n-]c(=S)oc2c1 ZINC000746271010 1132399463 /nfs/dbraw/zinc/39/94/63/1132399463.db2.gz AMOVKFXJAAWIEQ-TVQRCGJNSA-N -1 0 346.358 3.681 20 0 EHADRM Cc1ccc(O[C@H](C)CNC(=O)c2ccc3[n-]c(=S)oc3c2)cc1 ZINC000746315053 1132423754 /nfs/dbraw/zinc/42/37/54/1132423754.db2.gz JOGOLGNIPDYNAR-GFCCVEGCSA-N -1 0 342.420 3.622 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc(N2CCCCC2)nc1 ZINC001174671572 1132431997 /nfs/dbraw/zinc/43/19/97/1132431997.db2.gz ZNIKXYWMBURIFN-UHFFFAOYSA-N -1 0 327.384 3.522 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ccnn1-c1ccccc1Cl ZINC001174675285 1132432820 /nfs/dbraw/zinc/43/28/20/1132432820.db2.gz VOSIVIQAVCAVHR-UHFFFAOYSA-N -1 0 343.770 3.976 20 0 EHADRM COc1cc(Nc2cc(-c3ccncn3)cs2)ccc1C(=O)[O-] ZINC001174683744 1132435896 /nfs/dbraw/zinc/43/58/96/1132435896.db2.gz BZSHSPHBSVSOMZ-UHFFFAOYSA-N -1 0 327.365 3.656 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2ccc(O)c(F)c2)c2ccccc21 ZINC001174738358 1132455424 /nfs/dbraw/zinc/45/54/24/1132455424.db2.gz YYAUAGSJRBJCMH-UHFFFAOYSA-N -1 0 333.340 3.675 20 0 EHADRM Cc1cc(-n2cccn2)ccc1NC(=O)c1ccc([O-])c(Cl)c1 ZINC000191457147 1132462409 /nfs/dbraw/zinc/46/24/09/1132462409.db2.gz QDTSTLVFMAUCRI-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM Cc1cc(Nc2ccc(C(=O)[O-])s2)n(Cc2ccc(F)cc2)n1 ZINC001174807815 1132479004 /nfs/dbraw/zinc/47/90/04/1132479004.db2.gz OYHHKHYAXCICMF-UHFFFAOYSA-N -1 0 331.372 3.882 20 0 EHADRM Cc1cc(Nc2ccc(C(=O)[O-])s2)n(Cc2cccc(F)c2)n1 ZINC001174807702 1132479454 /nfs/dbraw/zinc/47/94/54/1132479454.db2.gz MLFIEUNCDZQNQF-UHFFFAOYSA-N -1 0 331.372 3.882 20 0 EHADRM CN(C)c1ccc(Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)cc1 ZINC001174880794 1132494371 /nfs/dbraw/zinc/49/43/71/1132494371.db2.gz LVYMOTWTIJHHCG-UHFFFAOYSA-N -1 0 342.420 3.896 20 0 EHADRM Cc1ccc(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)cc1N ZINC001174936557 1132512459 /nfs/dbraw/zinc/51/24/59/1132512459.db2.gz MHAPDCPJKFWVJO-UHFFFAOYSA-N -1 0 328.393 3.721 20 0 EHADRM O=C([O-])Cc1ccc(Nc2nc3cc(Br)ccc3o2)cc1 ZINC001174949669 1132515425 /nfs/dbraw/zinc/51/54/25/1132515425.db2.gz OGOBBALONZRVMM-UHFFFAOYSA-N -1 0 347.168 3.961 20 0 EHADRM O=C([O-])Cc1ccc(Nc2ncc(Cl)cc2Br)cc1 ZINC001174950319 1132516929 /nfs/dbraw/zinc/51/69/29/1132516929.db2.gz VNJCKUBUIYTOPQ-UHFFFAOYSA-N -1 0 341.592 3.868 20 0 EHADRM CCOC(=O)CCc1ccc(Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC001174956110 1132518790 /nfs/dbraw/zinc/51/87/90/1132518790.db2.gz HCBLJBWLCWSEME-UHFFFAOYSA-N -1 0 327.380 3.553 20 0 EHADRM C[C@H]1CCCC[C@H]1CC(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000746423921 1132520973 /nfs/dbraw/zinc/52/09/73/1132520973.db2.gz SYXBCAHHGGMFHN-HOCLYGCPSA-N -1 0 347.480 3.636 20 0 EHADRM COc1ccc(-c2cc(Nc3cc(C(=O)[O-])ccc3C)n(C)n2)cc1 ZINC001174981311 1132533838 /nfs/dbraw/zinc/53/38/38/1132533838.db2.gz KOCQLEDYUWJXAJ-UHFFFAOYSA-N -1 0 337.379 3.846 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1-n1ncc(-c2cccc(Cl)c2)c1N ZINC001174981672 1132533885 /nfs/dbraw/zinc/53/38/85/1132533885.db2.gz NNPFLLQSHDSPEL-UHFFFAOYSA-N -1 0 327.771 3.782 20 0 EHADRM COc1cc(Br)cnc1Nc1cc(C(=O)[O-])ccc1C ZINC001174981584 1132534036 /nfs/dbraw/zinc/53/40/36/1132534036.db2.gz KPVXDKOGRIKPKV-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1-n1c2cc(N)ccc2nc1C(F)(F)F ZINC001174981346 1132534245 /nfs/dbraw/zinc/53/42/45/1132534245.db2.gz BOXAAOMDOABCAV-UHFFFAOYSA-N -1 0 335.285 3.633 20 0 EHADRM Cc1c(C(=O)[N-]S(=O)(=O)c2ccsc2)oc2c1c(C)ccc2C ZINC000766443495 1132545684 /nfs/dbraw/zinc/54/56/84/1132545684.db2.gz LHUKMSXEGLSPJD-UHFFFAOYSA-N -1 0 349.433 3.538 20 0 EHADRM Cc1ccccc1-n1cc(C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)cn1 ZINC000738324623 1132558673 /nfs/dbraw/zinc/55/86/73/1132558673.db2.gz XSBFKJOFUOPTKC-FLIBITNWSA-N -1 0 347.374 3.531 20 0 EHADRM COc1ccc(Nc2ccc(S(=O)(=O)[O-])cc2)cc1C(F)(F)F ZINC001175070867 1132559122 /nfs/dbraw/zinc/55/91/22/1132559122.db2.gz KMNPGVZBYQHGEK-UHFFFAOYSA-N -1 0 347.314 3.704 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2cc(F)c(F)cc2F)c(Cl)c1 ZINC001175087047 1132563931 /nfs/dbraw/zinc/56/39/31/1132563931.db2.gz JLPHRYTXBQVGFA-UHFFFAOYSA-N -1 0 337.706 3.748 20 0 EHADRM C[C@H]1CCc2sc(Nc3ccc(C(=O)[O-])c(F)c3)c(C(N)=O)c2C1 ZINC001175157159 1132569910 /nfs/dbraw/zinc/56/99/10/1132569910.db2.gz AUUWMPGYIDGWEB-QMMMGPOBSA-N -1 0 348.399 3.553 20 0 EHADRM Cc1cc(Br)cc(Nc2ccc(C(=O)[O-])c(F)c2)c1N ZINC001175158527 1132570362 /nfs/dbraw/zinc/57/03/62/1132570362.db2.gz SJHIJTTZVSWGOA-UHFFFAOYSA-N -1 0 339.164 3.921 20 0 EHADRM Cc1cnn(Cc2ccccc2F)c1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175159060 1132570974 /nfs/dbraw/zinc/57/09/74/1132570974.db2.gz YDCULFGISAXFCN-UHFFFAOYSA-N -1 0 343.333 3.960 20 0 EHADRM COc1ccc(F)c(Nc2cc(S(=O)(=O)[O-])ccc2Cl)c1F ZINC001175122283 1132573718 /nfs/dbraw/zinc/57/37/18/1132573718.db2.gz RVNLLBPQDGTJKK-UHFFFAOYSA-N -1 0 349.742 3.617 20 0 EHADRM CC(C)(C)c1cc(Nc2ccc(F)c(C(=O)[O-])c2)c(C(N)=O)s1 ZINC001175215663 1132597691 /nfs/dbraw/zinc/59/76/91/1132597691.db2.gz OUQCMNFGLPIESF-UHFFFAOYSA-N -1 0 336.388 3.725 20 0 EHADRM O=C([O-])c1cc(Nc2ccc(OC[C@@H]3CCCO3)c(F)c2)ccc1F ZINC001175218782 1132597883 /nfs/dbraw/zinc/59/78/83/1132597883.db2.gz KXNHGYHFGBELMS-ZDUSSCGKSA-N -1 0 349.333 3.964 20 0 EHADRM O=C([O-])c1cc(Nc2ncc(F)cc2Br)ccc1F ZINC001175215948 1132598165 /nfs/dbraw/zinc/59/81/65/1132598165.db2.gz RMVBZVIZNIHNMK-UHFFFAOYSA-N -1 0 329.100 3.564 20 0 EHADRM CCOc1cccc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)c1F ZINC001175241313 1132606284 /nfs/dbraw/zinc/60/62/84/1132606284.db2.gz ZWORYODKFQVEEQ-UHFFFAOYSA-N -1 0 345.779 3.868 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(OC3COC3)c(F)c2)cc1Cl ZINC001175319755 1132638128 /nfs/dbraw/zinc/63/81/28/1132638128.db2.gz DFLNDXDAKBTTMG-UHFFFAOYSA-N -1 0 337.734 3.699 20 0 EHADRM O=C([O-])c1ccc(Nc2cccc3c2C(=O)N(C2CC2)C3)cc1Cl ZINC001175320068 1132638138 /nfs/dbraw/zinc/63/81/38/1132638138.db2.gz AXQKOPBRZLUBKH-UHFFFAOYSA-N -1 0 342.782 3.900 20 0 EHADRM COC(=O)c1cc(Nc2ccc(C(=O)[O-])c(Cl)c2)ccc1OC ZINC001175319790 1132638208 /nfs/dbraw/zinc/63/82/08/1132638208.db2.gz GERDVONXKOZTAX-UHFFFAOYSA-N -1 0 335.743 3.577 20 0 EHADRM CC(=O)c1cc2c(cc1Nc1ccc(C(=O)[O-])c(Cl)c1)OCO2 ZINC001175320617 1132638427 /nfs/dbraw/zinc/63/84/27/1132638427.db2.gz SWQUKNZISAETAU-UHFFFAOYSA-N -1 0 333.727 3.713 20 0 EHADRM COC(=O)c1sc2ccncc2c1Nc1cccc(C(=O)[O-])c1 ZINC001175331049 1132641032 /nfs/dbraw/zinc/64/10/32/1132641032.db2.gz SATZGJCDCFUIRP-UHFFFAOYSA-N -1 0 328.349 3.525 20 0 EHADRM CCOC(=O)c1sc(Nc2cccc(C(=O)[O-])c2)nc1C1CC1 ZINC001175329944 1132641296 /nfs/dbraw/zinc/64/12/96/1132641296.db2.gz DGRXMAPYWKIXIC-UHFFFAOYSA-N -1 0 332.381 3.639 20 0 EHADRM COCc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)cc1 ZINC000766579361 1132645103 /nfs/dbraw/zinc/64/51/03/1132645103.db2.gz AQICKXPFDSLORJ-UHFFFAOYSA-N -1 0 339.482 3.993 20 0 EHADRM COc1cc(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)ccc1F ZINC001175400512 1132660196 /nfs/dbraw/zinc/66/01/96/1132660196.db2.gz NDPVKGDMECUVAB-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM CC(C)c1ccc(C(=O)NCCn2cncc2-c2ccccc2)c(O)c1 ZINC001169159983 1132681801 /nfs/dbraw/zinc/68/18/01/1132681801.db2.gz ZIEWEQZPVDRJCO-UHFFFAOYSA-N -1 0 349.434 3.809 20 0 EHADRM CCOc1ccc(Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)cn1 ZINC001175741777 1132750043 /nfs/dbraw/zinc/75/00/43/1132750043.db2.gz LNRCPOZJAHQWMT-UHFFFAOYSA-N -1 0 344.392 3.624 20 0 EHADRM Nc1ccccc1-c1cc2ccccc2n1-c1cncc(C(=O)[O-])c1 ZINC001175842431 1132773530 /nfs/dbraw/zinc/77/35/30/1132773530.db2.gz HARMPGFMLSZTMP-UHFFFAOYSA-N -1 0 329.359 3.973 20 0 EHADRM O=C([O-])c1cncc(Nc2c(Br)ccc(F)c2F)c1 ZINC001175846778 1132774241 /nfs/dbraw/zinc/77/42/41/1132774241.db2.gz QVOSNVJBDWGTIC-UHFFFAOYSA-N -1 0 329.100 3.564 20 0 EHADRM CCCn1nc(C)cc1Nc1cc(Cl)c(C)cc1S(=O)(=O)[O-] ZINC001175805283 1132775412 /nfs/dbraw/zinc/77/54/12/1132775412.db2.gz WSURHUWNGWWEII-UHFFFAOYSA-N -1 0 343.836 3.554 20 0 EHADRM O=C(NC[C@@H]1CCC2(CCC2)O1)c1cc(Cl)cc(Cl)c1[O-] ZINC001175861435 1132787231 /nfs/dbraw/zinc/78/72/31/1132787231.db2.gz FTBSSZLZTWJFPN-JTQLQIEISA-N -1 0 330.211 3.531 20 0 EHADRM Cc1cnccc1CCC(=O)Nc1ccc2[n-]c(=S)sc2c1 ZINC001175870245 1132788518 /nfs/dbraw/zinc/78/85/18/1132788518.db2.gz VQHIHCUEKXUCCQ-UHFFFAOYSA-N -1 0 329.450 3.860 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]C(=O)C[C@H](c1ccccc1)C(C)C ZINC000103328725 1132824782 /nfs/dbraw/zinc/82/47/82/1132824782.db2.gz JXDAJJPDFTUPKO-KRWDZBQOSA-N -1 0 345.464 3.630 20 0 EHADRM Cc1cncc(CCC(=O)Nc2c(Cl)ccc([O-])c2Cl)c1 ZINC001176059239 1132837927 /nfs/dbraw/zinc/83/79/27/1132837927.db2.gz CJFUJSNRYBNZFJ-UHFFFAOYSA-N -1 0 325.195 3.974 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1[nH]c2ccccc2c1Cl ZINC000766846017 1132873899 /nfs/dbraw/zinc/87/38/99/1132873899.db2.gz VEVMCOKZUJIDHE-UHFFFAOYSA-N -1 0 340.766 3.722 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)N(CCC(=O)[O-])CC1CC1 ZINC000766920331 1132915162 /nfs/dbraw/zinc/91/51/62/1132915162.db2.gz MMKKGZFLLCQUBB-WOLCWHLNSA-N -1 0 345.439 3.590 20 0 EHADRM Cc1cc(Nc2csc(C(=O)[O-])c2)nc(C)c1Br ZINC001176437543 1132928636 /nfs/dbraw/zinc/92/86/36/1132928636.db2.gz SLRXZARRNVSLNF-UHFFFAOYSA-N -1 0 327.203 3.964 20 0 EHADRM COc1cc(Nc2csc(C(=O)[O-])c2)ccc1Br ZINC001176439294 1132929650 /nfs/dbraw/zinc/92/96/50/1132929650.db2.gz ROXXASVHCXKWHB-UHFFFAOYSA-N -1 0 328.187 3.961 20 0 EHADRM CCOC(=O)C(C)(C)Oc1ccc(Nc2csc(C(=O)[O-])c2)cc1 ZINC001176440398 1132929656 /nfs/dbraw/zinc/92/96/56/1132929656.db2.gz MUVWEUSYCCQNHQ-UHFFFAOYSA-N -1 0 349.408 3.910 20 0 EHADRM CC(=O)c1c(C)cc(NC(=O)c2cc(C)cc(C=O)c2[O-])cc1C ZINC001176407523 1132932677 /nfs/dbraw/zinc/93/26/77/1132932677.db2.gz LEYFONFZAXXYFJ-UHFFFAOYSA-N -1 0 325.364 3.585 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc(SC(F)F)cc1)C1CCCCC1 ZINC000767026420 1132936402 /nfs/dbraw/zinc/93/64/02/1132936402.db2.gz YIZQCZJQVURANL-UHFFFAOYSA-N -1 0 343.395 3.861 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)CCCOCc2ccccc2)cc1 ZINC000767089614 1132947520 /nfs/dbraw/zinc/94/75/20/1132947520.db2.gz AJECDADFUOLNCF-JLHYYAGUSA-N -1 0 339.391 3.720 20 0 EHADRM O=C([O-])Cn1ccc2cc(NC(=O)/C=C\c3cccc(F)c3)ccc21 ZINC000767138823 1132955995 /nfs/dbraw/zinc/95/59/95/1132955995.db2.gz YEPBNTXMZLLXCP-DAXSKMNVSA-N -1 0 338.338 3.517 20 0 EHADRM O=C([O-])Cn1ccc2cc(NC(=O)/C=C/c3ccccc3F)ccc21 ZINC000767136551 1132956009 /nfs/dbraw/zinc/95/60/09/1132956009.db2.gz AJMWWPISQGUMKS-VMPITWQZSA-N -1 0 338.338 3.517 20 0 EHADRM Cc1cc(=O)oc2cc(Nc3ccc(C4(C(=O)[O-])CC4)cc3)ccc12 ZINC001176586451 1132960583 /nfs/dbraw/zinc/96/05/83/1132960583.db2.gz GZCFBJLBIDWMAO-UHFFFAOYSA-N -1 0 335.359 3.961 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3cccc(C4OCCO4)c3)cc2)CC1 ZINC001176590756 1132962307 /nfs/dbraw/zinc/96/23/07/1132962307.db2.gz WDLULSUKJKLUGP-UHFFFAOYSA-N -1 0 325.364 3.592 20 0 EHADRM CC1(C)CNC(=O)c2cc(Nc3ccc(/C=C/C(=O)[O-])cc3)ccc21 ZINC001176596359 1132964516 /nfs/dbraw/zinc/96/45/16/1132964516.db2.gz BVINHRMHFKHGNK-BJMVGYQFSA-N -1 0 336.391 3.549 20 0 EHADRM COC(=O)c1c(C)c(Nc2ccc(/C=C/C(=O)[O-])cc2)ccc1F ZINC001176596330 1132964605 /nfs/dbraw/zinc/96/46/05/1132964605.db2.gz ALQCVZQYARLFMP-BJMVGYQFSA-N -1 0 329.327 3.762 20 0 EHADRM O=C(CCCO)c1ccc(Nc2c(F)cc(F)c([O-])c2F)cc1 ZINC001176673542 1132979600 /nfs/dbraw/zinc/97/96/00/1132979600.db2.gz JOJFSYYLYGXDRF-UHFFFAOYSA-N -1 0 325.286 3.508 20 0 EHADRM Cc1cc(Nc2ccc(C(=O)[O-])cc2)n(Cc2cccc(F)c2)n1 ZINC001176710869 1132995446 /nfs/dbraw/zinc/99/54/46/1132995446.db2.gz QADMVDHIFGBRDZ-UHFFFAOYSA-N -1 0 325.343 3.821 20 0 EHADRM Nc1cc2c(ccn2-c2ccc(C(=O)[O-])cc2)cc1Br ZINC001176714877 1132996144 /nfs/dbraw/zinc/99/61/44/1132996144.db2.gz GOWBSAHGCBQYPW-UHFFFAOYSA-N -1 0 331.169 3.673 20 0 EHADRM COc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cnc1Cl ZINC000767438033 1133002243 /nfs/dbraw/zinc/00/22/43/1133002243.db2.gz BZEYZDQJGBBYFW-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CCS(=O)(CC)=NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001178476392 1133172537 /nfs/dbraw/zinc/17/25/37/1133172537.db2.gz ZRUPBQMIWKNKKP-UHFFFAOYSA-N -1 0 345.464 3.825 20 0 EHADRM O=C(Nc1c[nH]c2ccccc12)c1cccc(Br)c1[O-] ZINC001179047534 1133222093 /nfs/dbraw/zinc/22/20/93/1133222093.db2.gz JSYFCGGOWXPEHO-UHFFFAOYSA-N -1 0 331.169 3.888 20 0 EHADRM Cc1cccc(OCCC(=O)Nc2ccc3[n-]c(=S)oc3c2)c1 ZINC000769301713 1133256745 /nfs/dbraw/zinc/25/67/45/1133256745.db2.gz GDRPHHZXHBRZAS-UHFFFAOYSA-N -1 0 328.393 3.833 20 0 EHADRM Cc1ccc(-c2cc(C(=O)NCCCC(=O)[O-])c3ccccc3n2)cc1 ZINC000769494992 1133300396 /nfs/dbraw/zinc/30/03/96/1133300396.db2.gz AVXDWUXNJPOSDW-UHFFFAOYSA-N -1 0 348.402 3.805 20 0 EHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N1Cc2cccc(Cl)c2C1 ZINC001180022952 1133318834 /nfs/dbraw/zinc/31/88/34/1133318834.db2.gz MUAVMKLDGZVLDS-UHFFFAOYSA-N -1 0 330.796 3.926 20 0 EHADRM Cc1cc(C)c(Nc2cc(F)cc(F)c2F)c(S(=O)(=O)[O-])c1 ZINC001206409957 1133328835 /nfs/dbraw/zinc/32/88/35/1133328835.db2.gz HACDOHDQBLFIFE-UHFFFAOYSA-N -1 0 331.315 3.711 20 0 EHADRM CC(=O)Nc1cccc2c1CCCN2C(=O)c1c([O-])cccc1Cl ZINC000769710105 1133333330 /nfs/dbraw/zinc/33/33/30/1133333330.db2.gz HLQCZLWFFJKYIS-UHFFFAOYSA-N -1 0 344.798 3.597 20 0 EHADRM O=C([O-])C1(C(=O)N[C@@H]2[C@@H]3CC[C@@H](C3)[C@H]2c2ccccc2)CCCCC1 ZINC001180440705 1133370531 /nfs/dbraw/zinc/37/05/31/1133370531.db2.gz RHXFVGCIFVMBFY-BSDSXHPESA-N -1 0 341.451 3.720 20 0 EHADRM Cc1cccc(C)c1N1C[C@@H](C(=O)Nc2ccccc2[S-])CC1=O ZINC001180674999 1133405889 /nfs/dbraw/zinc/40/58/89/1133405889.db2.gz YKEWEKRBCQFOKN-AWEZNQCLSA-N -1 0 340.448 3.584 20 0 EHADRM CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccccc1[S-] ZINC001181166089 1133467192 /nfs/dbraw/zinc/46/71/92/1133467192.db2.gz DRINJUUKZXEJSI-INIZCTEOSA-N -1 0 342.464 3.759 20 0 EHADRM Cc1cc2c(cc1C)[C@H](C(=O)Nc1ccc3[n-]c(=S)oc3c1)CO2 ZINC000771412634 1133547503 /nfs/dbraw/zinc/54/75/03/1133547503.db2.gz CZGKMHQNXJNYTI-CYBMUJFWSA-N -1 0 340.404 3.848 20 0 EHADRM O=S(=O)([N-]c1ccc(C2CC2)cc1)c1c(Cl)nc2ccccn21 ZINC000771606900 1133576559 /nfs/dbraw/zinc/57/65/59/1133576559.db2.gz YZLSMYSVUMMJFG-UHFFFAOYSA-N -1 0 347.827 3.666 20 0 EHADRM O=C([O-])c1cccc(/C=C2/C(=O)Nc3cc(Br)ccc32)c1 ZINC000774135822 1133621859 /nfs/dbraw/zinc/62/18/59/1133621859.db2.gz SWOXWWWIYGCUOP-NTUHNPAUSA-N -1 0 344.164 3.640 20 0 EHADRM C[C@@H](Oc1ccccc1)C(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000746523370 1133632813 /nfs/dbraw/zinc/63/28/13/1133632813.db2.gz TVIZICKREWIQKQ-GFCCVEGCSA-N -1 0 339.313 3.721 20 0 EHADRM CC(C)O[C@@H]1C[C@@H](NC(=O)c2cc(F)cc(Cl)c2[O-])C1(C)C ZINC001183143326 1133770801 /nfs/dbraw/zinc/77/08/01/1133770801.db2.gz PNAAEHCMBQFTMT-CHWSQXEVSA-N -1 0 329.799 3.507 20 0 EHADRM O=C(Cc1ccc([S-])cc1)NCc1cc2cc(Cl)ccc2[nH]1 ZINC001183187350 1133776590 /nfs/dbraw/zinc/77/65/90/1133776590.db2.gz LYUWLCXYNNBZIJ-UHFFFAOYSA-N -1 0 330.840 3.969 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)sc2c1)C1(c2ccc(O)cc2)CC1 ZINC001183341140 1133796611 /nfs/dbraw/zinc/79/66/11/1133796611.db2.gz KOARBSKQPNAKTM-UHFFFAOYSA-N -1 0 342.445 3.961 20 0 EHADRM COC(=O)[C@H]1CCC[C@H](C(=O)Nc2c(Cl)ccc([O-])c2Cl)C1 ZINC001183424127 1133804854 /nfs/dbraw/zinc/80/48/54/1133804854.db2.gz VQCGBDROIPBYNG-IUCAKERBSA-N -1 0 346.210 3.617 20 0 EHADRM CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1C(=O)Nc1ccccc1[S-] ZINC001183476803 1133811298 /nfs/dbraw/zinc/81/12/98/1133811298.db2.gz QFEYJOGDLLYCFL-ZDUSSCGKSA-N -1 0 348.468 3.703 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]C(=O)CC/C=C/c1ccccc1 ZINC000786644376 1133885666 /nfs/dbraw/zinc/88/56/66/1133885666.db2.gz ANAKIVPTUVMWNT-WUXMJOGZSA-N -1 0 343.448 3.548 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2cccnc2Cl)cc2ccccc21 ZINC001184881173 1134002515 /nfs/dbraw/zinc/00/25/15/1134002515.db2.gz ZFXRJOGFERKUSO-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)sc2c1)C12CCC(O)(CC1)CC2 ZINC001185279045 1134061743 /nfs/dbraw/zinc/06/17/43/1134061743.db2.gz LPMAJJCKWMYDKA-UHFFFAOYSA-N -1 0 334.466 3.609 20 0 EHADRM CC(C)(C)n1nc(C2CCC2)cc1[N-]S(=O)(=O)c1ccsc1 ZINC001185342289 1134075536 /nfs/dbraw/zinc/07/55/36/1134075536.db2.gz YLQAQXCVIFDXBJ-UHFFFAOYSA-N -1 0 339.486 3.768 20 0 EHADRM Cc1c(Cl)cc([N-]S(=O)(=O)c2ccsc2)c(O)c1Cl ZINC001185392200 1134077755 /nfs/dbraw/zinc/07/77/55/1134077755.db2.gz WDMGKINIKFLJIJ-UHFFFAOYSA-N -1 0 338.237 3.870 20 0 EHADRM O=S(=O)([N-]c1cccc(-c2ccc(O)cc2)c1)c1ccsc1 ZINC001185392687 1134078175 /nfs/dbraw/zinc/07/81/75/1134078175.db2.gz UQAQQISTNGSAKJ-UHFFFAOYSA-N -1 0 331.418 3.922 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)C(F)(F)F)cc1 ZINC000788089210 1134078580 /nfs/dbraw/zinc/07/85/80/1134078580.db2.gz FTXVCMMEBYSTCC-UHFFFAOYSA-N -1 0 343.326 3.541 20 0 EHADRM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(C)nc1Cl ZINC000788093216 1134078619 /nfs/dbraw/zinc/07/86/19/1134078619.db2.gz NDPZCEYTKHEPHC-UHFFFAOYSA-N -1 0 338.860 3.969 20 0 EHADRM CN(C)c1ccc([N-]S(=O)(=O)c2cc3ccccc3s2)cc1 ZINC001185421384 1134082112 /nfs/dbraw/zinc/08/21/12/1134082112.db2.gz QLVZULXTCUWOFX-UHFFFAOYSA-N -1 0 332.450 3.768 20 0 EHADRM O=S(=O)([N-]c1ncc(Cl)cc1F)c1cc2ccccc2s1 ZINC001185425702 1134082160 /nfs/dbraw/zinc/08/21/60/1134082160.db2.gz CFDLNIUDHFOJIX-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM CC(C)Oc1ccc([N-]S(=O)(=O)c2cc3ccccc3s2)cn1 ZINC001185429776 1134084425 /nfs/dbraw/zinc/08/44/25/1134084425.db2.gz SMVWGQGIMLXVRN-UHFFFAOYSA-N -1 0 348.449 3.884 20 0 EHADRM CC(C)(C)c1nccc([N-]S(=O)(=O)c2cc3ccccc3s2)n1 ZINC001185434593 1134086237 /nfs/dbraw/zinc/08/62/37/1134086237.db2.gz YEJYFPPDCCIFQP-UHFFFAOYSA-N -1 0 347.465 3.790 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2cc3ccccc3s2)cc1O ZINC001185460789 1134092430 /nfs/dbraw/zinc/09/24/30/1134092430.db2.gz WPKJZSCNWCYANJ-UHFFFAOYSA-N -1 0 347.417 3.610 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2cc3ccccc3s2)ccc1F ZINC001185460528 1134092618 /nfs/dbraw/zinc/09/26/18/1134092618.db2.gz SKKJUPIXHJHPOM-UHFFFAOYSA-N -1 0 337.397 3.850 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc3c2C(=O)CC3)ccc1Cl ZINC001185530133 1134104673 /nfs/dbraw/zinc/10/46/73/1134104673.db2.gz USPQHIIFWPGHSM-UHFFFAOYSA-N -1 0 335.812 3.578 20 0 EHADRM CC(C)C[C@H](C(=O)[O-])N(C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000788323363 1134113570 /nfs/dbraw/zinc/11/35/70/1134113570.db2.gz VFOLKPXRPGOOPA-GFCCVEGCSA-N -1 0 332.322 3.668 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)Nc1ccc(Cl)nc1Cl ZINC001185795783 1134133791 /nfs/dbraw/zinc/13/37/91/1134133791.db2.gz SJDAFESWTCBNOQ-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM O=C(NCCCc1cncc(C(F)(F)F)c1)c1cccc([S-])c1 ZINC001186132165 1134173027 /nfs/dbraw/zinc/17/30/27/1134173027.db2.gz RAZDAVNZXUQKMZ-UHFFFAOYSA-N -1 0 340.370 3.752 20 0 EHADRM O=C(c1cccc([S-])c1)N1CCC2(CC(OCC3CC3)C2)CC1 ZINC001186141705 1134173887 /nfs/dbraw/zinc/17/38/87/1134173887.db2.gz XZGWWFIYPIGCAK-UHFFFAOYSA-N -1 0 331.481 3.787 20 0 EHADRM O=C(OCc1ncc(Br)s1)c1ccc([O-])c(Cl)c1 ZINC000788881903 1134187115 /nfs/dbraw/zinc/18/71/15/1134187115.db2.gz VXXJEGGENOGDDT-UHFFFAOYSA-N -1 0 348.605 3.622 20 0 EHADRM COc1cc(Br)ccc1C(=O)Nc1ccccc1[S-] ZINC001186289451 1134193422 /nfs/dbraw/zinc/19/34/22/1134193422.db2.gz BFWSZLFIJUODCM-UHFFFAOYSA-N -1 0 338.226 3.999 20 0 EHADRM CCOc1cc([N-]S(=O)(=O)c2csc3ccccc32)cc(C)n1 ZINC001186455443 1134215346 /nfs/dbraw/zinc/21/53/46/1134215346.db2.gz WANIIOUVXSFVQA-UHFFFAOYSA-N -1 0 348.449 3.804 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2csc3ccccc32)c(O)c1 ZINC001186495519 1134222559 /nfs/dbraw/zinc/22/25/59/1134222559.db2.gz POHKCSVCZKAZIQ-UHFFFAOYSA-N -1 0 333.434 3.970 20 0 EHADRM Cc1cc(OC(F)F)ccc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC001186779843 1134256859 /nfs/dbraw/zinc/25/68/59/1134256859.db2.gz PFWWCCZSIOHQTG-UHFFFAOYSA-N -1 0 347.239 3.972 20 0 EHADRM CC1(C)CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000789387445 1134260955 /nfs/dbraw/zinc/26/09/55/1134260955.db2.gz MFCVDAPCMXMCKO-QGZVFWFLSA-N -1 0 345.464 3.861 20 0 EHADRM O=S(=O)([N-]c1cc(F)ccc1OC1CCCC1)c1ccco1 ZINC001186863897 1134270117 /nfs/dbraw/zinc/27/01/17/1134270117.db2.gz ZYNZUCXQDDSVQK-UHFFFAOYSA-N -1 0 325.361 3.541 20 0 EHADRM CC(C)(C)COc1c(F)cccc1[N-]S(=O)(=O)c1ccco1 ZINC001186862804 1134270212 /nfs/dbraw/zinc/27/02/12/1134270212.db2.gz DGDHSHBRKKHZDI-UHFFFAOYSA-N -1 0 327.377 3.644 20 0 EHADRM O=S(=O)(NC[C@H]1CCc2ccccc21)c1cc2cc(F)ccc2o1 ZINC001186951389 1134276571 /nfs/dbraw/zinc/27/65/71/1134276571.db2.gz FLDUMBCGJRDCDH-CYBMUJFWSA-N -1 0 345.395 3.580 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)on1 ZINC001187181116 1134306150 /nfs/dbraw/zinc/30/61/50/1134306150.db2.gz LXTPIEITGGFOQA-UHFFFAOYSA-N -1 0 340.470 3.713 20 0 EHADRM O=S(=O)([N-]c1ccc2cccnc2c1)c1cc2c(s1)CCCC2 ZINC001187207246 1134314556 /nfs/dbraw/zinc/31/45/56/1134314556.db2.gz WQOIKCKGGRHLHJ-UHFFFAOYSA-N -1 0 344.461 3.976 20 0 EHADRM O=C(Nc1cccc(Br)c1)Nc1ccnc(Cl)c1[O-] ZINC001187441450 1134335104 /nfs/dbraw/zinc/33/51/04/1134335104.db2.gz CDRDBDNJGAEFLC-UHFFFAOYSA-N -1 0 342.580 3.847 20 0 EHADRM Cc1nc2c(cccc2-c2noc(-c3cccc(Cl)c3[O-])n2)[nH]1 ZINC000789837565 1134338168 /nfs/dbraw/zinc/33/81/68/1134338168.db2.gz ZUMSCFINIWVXQD-UHFFFAOYSA-N -1 0 326.743 3.947 20 0 EHADRM CCn1c2cc(C)ccc2nc1-c1ccc(OCC(=O)[O-])c(OC)c1 ZINC000790103640 1134371621 /nfs/dbraw/zinc/37/16/21/1134371621.db2.gz SYPOQZNAGVELJF-UHFFFAOYSA-N -1 0 340.379 3.504 20 0 EHADRM COc1ccc(Cl)cc1NC(=O)Nc1cc([O-])c(F)c(F)c1 ZINC001187928520 1134401020 /nfs/dbraw/zinc/40/10/20/1134401020.db2.gz NMZLKZSSKKPHHR-UHFFFAOYSA-N -1 0 328.702 3.976 20 0 EHADRM O=S(=O)([N-]c1cccc2c1CCC2)c1ccc(Cl)nc1Cl ZINC001187925728 1134401367 /nfs/dbraw/zinc/40/13/67/1134401367.db2.gz SNGPVIJFTAXTMM-UHFFFAOYSA-N -1 0 343.235 3.678 20 0 EHADRM O=S(=O)([N-]c1cccc2ccoc21)c1ccc(Cl)nc1Cl ZINC001187969017 1134405615 /nfs/dbraw/zinc/40/56/15/1134405615.db2.gz KLNVUUNBGKQUQM-UHFFFAOYSA-N -1 0 343.191 3.935 20 0 EHADRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cccc3c2CCCC3)c1C ZINC000790419235 1134414375 /nfs/dbraw/zinc/41/43/75/1134414375.db2.gz MEVRCMUXWQYLMM-CYBMUJFWSA-N -1 0 347.484 3.842 20 0 EHADRM O=C(OCc1csc(-c2ccoc2)n1)c1c(F)cc([O-])cc1F ZINC000746983644 1134512210 /nfs/dbraw/zinc/51/22/10/1134512210.db2.gz CJDZBMNYRKPSTK-UHFFFAOYSA-N -1 0 337.303 3.744 20 0 EHADRM CC(C)c1ccc(NC(=O)C(=O)[N-]OC2CCCC2)c(C(C)C)c1 ZINC000775216917 1134539253 /nfs/dbraw/zinc/53/92/53/1134539253.db2.gz NXYWVMHGCGNVQN-UHFFFAOYSA-N -1 0 332.444 3.862 20 0 EHADRM O=S(=O)(CCc1ccc(Cl)cc1)Nc1cccc2ccncc21 ZINC001189103402 1134544870 /nfs/dbraw/zinc/54/48/70/1134544870.db2.gz GGSZZUJCANIEAZ-UHFFFAOYSA-N -1 0 346.839 3.873 20 0 EHADRM CC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2[S-])c1 ZINC001189226636 1134553955 /nfs/dbraw/zinc/55/39/55/1134553955.db2.gz YSDKLDVWYWITCX-UHFFFAOYSA-N -1 0 341.841 3.632 20 0 EHADRM Cc1nc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)sc1C ZINC001189349601 1134578933 /nfs/dbraw/zinc/57/89/33/1134578933.db2.gz ZAFISDSACOSGRD-UHFFFAOYSA-N -1 0 336.413 3.853 20 0 EHADRM CC(C)(C)c1csc([N-]S(=O)(=O)Cc2cc(F)ccc2F)n1 ZINC001189643519 1134605139 /nfs/dbraw/zinc/60/51/39/1134605139.db2.gz BSGXJBKRZXSTHF-UHFFFAOYSA-N -1 0 346.424 3.661 20 0 EHADRM O=S(=O)(Cc1cc(F)ccc1F)[N-]c1cccc2ncsc21 ZINC001189688855 1134611520 /nfs/dbraw/zinc/61/15/20/1134611520.db2.gz ZHELGJSFSJGJTR-UHFFFAOYSA-N -1 0 340.376 3.516 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)CC/C=C/c2ccccc2)sc1C ZINC000775292672 1134615823 /nfs/dbraw/zinc/61/58/23/1134615823.db2.gz FTPJHXOTQLOCDL-UXBLZVDNSA-N -1 0 349.477 3.663 20 0 EHADRM Cc1nccc(Br)c1Nc1ccc(C(=O)[O-])cc1F ZINC001203286860 1134647345 /nfs/dbraw/zinc/64/73/45/1134647345.db2.gz VATOUPRWHSTVHN-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1cc(F)cc(F)c1F ZINC001190388298 1134689551 /nfs/dbraw/zinc/68/95/51/1134689551.db2.gz SUMJGOIIUJTLHP-UHFFFAOYSA-N -1 0 339.697 3.697 20 0 EHADRM CCCc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190392056 1134690453 /nfs/dbraw/zinc/69/04/53/1134690453.db2.gz ZZRCVHGIGLJQAF-UHFFFAOYSA-N -1 0 329.343 3.857 20 0 EHADRM O=C(Nc1ccccc1OC(F)(F)F)Nc1ncc(Cl)cc1[O-] ZINC001190653086 1134732736 /nfs/dbraw/zinc/73/27/36/1134732736.db2.gz FIVBGRWEFXUSDA-UHFFFAOYSA-N -1 0 347.680 3.983 20 0 EHADRM CCOC(C)(C)C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000867017597 1134752095 /nfs/dbraw/zinc/75/20/95/1134752095.db2.gz CTFWSOZWTMAGFJ-UHFFFAOYSA-N -1 0 336.613 3.562 20 0 EHADRM Cc1c(=O)[n-]n(-c2ccccc2)c1NC(=O)NCc1cccc(C)c1 ZINC001191022680 1134781052 /nfs/dbraw/zinc/78/10/52/1134781052.db2.gz HLOQAMYFZXIXAG-UHFFFAOYSA-N -1 0 336.395 3.516 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(C(C)C)nc2)c1 ZINC001191150429 1134803272 /nfs/dbraw/zinc/80/32/72/1134803272.db2.gz FCRBLOLLHHBNCP-UHFFFAOYSA-N -1 0 341.436 3.862 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cccc3nccnc23)cc1 ZINC001191249638 1134823859 /nfs/dbraw/zinc/82/38/59/1134823859.db2.gz YZQHFGFQCUPGIN-UHFFFAOYSA-N -1 0 341.436 3.773 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2Cl)ccn1 ZINC001191728377 1134906042 /nfs/dbraw/zinc/90/60/42/1134906042.db2.gz FSUOYCJBGYNPFT-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CC[C@H](C)CC(=O)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000793353494 1134908049 /nfs/dbraw/zinc/90/80/49/1134908049.db2.gz PUWFANYHWZJZAT-QMMMGPOBSA-N -1 0 338.256 3.543 20 0 EHADRM CCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000793352618 1134916698 /nfs/dbraw/zinc/91/66/98/1134916698.db2.gz LCYZLHQBGXKVNX-SECBINFHSA-N -1 0 338.256 3.543 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001191780700 1134920438 /nfs/dbraw/zinc/92/04/38/1134920438.db2.gz SWMZHOFSQIFAOZ-UHFFFAOYSA-N -1 0 325.817 3.848 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccnc(C(C)(C)C)c1 ZINC001191787929 1134922225 /nfs/dbraw/zinc/92/22/25/1134922225.db2.gz HBKHCOGVKHPUFJ-UHFFFAOYSA-N -1 0 348.468 3.887 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cncc(C(C)C)c1 ZINC001191793408 1134924481 /nfs/dbraw/zinc/92/44/81/1134924481.db2.gz UEPHFXVDXXFPCD-UHFFFAOYSA-N -1 0 334.441 3.713 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc2ccccc2n1C ZINC001191792479 1134924496 /nfs/dbraw/zinc/92/44/96/1134924496.db2.gz MMYBNZCKGRKLFV-UHFFFAOYSA-N -1 0 344.436 3.686 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cccc(OC)c1C ZINC001191820978 1134929676 /nfs/dbraw/zinc/92/96/76/1134929676.db2.gz BAQHEISSWIDUJP-UHFFFAOYSA-N -1 0 335.425 3.512 20 0 EHADRM O=S(=O)([N-]c1cc(F)ccc1Cl)C(Cl)(Cl)Cl ZINC001192032749 1134958408 /nfs/dbraw/zinc/95/84/08/1134958408.db2.gz YCCWDTJYQSWIDP-UHFFFAOYSA-N -1 0 326.991 3.549 20 0 EHADRM COC(=O)c1ccc(C(F)(F)F)c(-c2ccsc2C(=O)[O-])c1 ZINC001205587003 1134988919 /nfs/dbraw/zinc/98/89/19/1134988919.db2.gz VXEOFBUUKBSPGN-UHFFFAOYSA-N -1 0 330.283 3.919 20 0 EHADRM Cc1cccc2ccc([N-]S(=O)(=O)c3cnc(Cl)cc3C)nc12 ZINC001192310866 1134997397 /nfs/dbraw/zinc/99/73/97/1134997397.db2.gz NMSKBJFYTNRKDT-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM CC(C)(C)c1ccc(C(=O)Nc2cnccc2OC(F)F)c(O)c1 ZINC001192313668 1134997416 /nfs/dbraw/zinc/99/74/16/1134997416.db2.gz GUVZVNVSAQLUHU-UHFFFAOYSA-N -1 0 336.338 3.938 20 0 EHADRM Cc1cccc(C)c1[C@@H]1CCCN1S(=O)(=O)c1cc([O-])cc(F)c1 ZINC001192416529 1135011601 /nfs/dbraw/zinc/01/16/01/1135011601.db2.gz UBKKDAPIQKHRLF-KRWDZBQOSA-N -1 0 349.427 3.674 20 0 EHADRM COCc1cc(NC(=O)/C(C)=C/c2ccc(F)cc2)cc(C(=O)[O-])c1 ZINC000794002454 1135012682 /nfs/dbraw/zinc/01/26/82/1135012682.db2.gz KIXGBYJJJFTWGU-KPKJPENVSA-N -1 0 343.354 3.712 20 0 EHADRM CCc1ccc(-c2nc(CC(=O)[N-]OC/C=C\Cl)cs2)cc1 ZINC000794290394 1135037165 /nfs/dbraw/zinc/03/71/65/1135037165.db2.gz LGNOIIWZYGTLQI-BAQGIRSFSA-N -1 0 336.844 3.715 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3cnccc3c2)c1 ZINC001192763439 1135051914 /nfs/dbraw/zinc/05/19/14/1135051914.db2.gz INCZFGSXKUTJAE-UHFFFAOYSA-N -1 0 342.420 3.607 20 0 EHADRM O=C(c1ccc(F)c(F)c1[O-])N1CCC2(C=Cc3ccccc32)CC1 ZINC001192797049 1135056147 /nfs/dbraw/zinc/05/61/47/1135056147.db2.gz LTPCGSLRGCBSLR-UHFFFAOYSA-N -1 0 341.357 3.871 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2OC(C)C)c1 ZINC001192804732 1135057499 /nfs/dbraw/zinc/05/74/99/1135057499.db2.gz CTKNJVKJARZFPQ-UHFFFAOYSA-N -1 0 349.452 3.846 20 0 EHADRM Cc1ccc(NC(=O)c2ccc([O-])c(F)c2F)cc1OC(F)F ZINC001192841722 1135064294 /nfs/dbraw/zinc/06/42/94/1135064294.db2.gz VYQKXJIHFSGIKV-UHFFFAOYSA-N -1 0 329.249 3.833 20 0 EHADRM CC(C)(CNC(=O)c1cc(F)c([O-])cc1F)c1c[nH]c2ccccc21 ZINC001192887178 1135067605 /nfs/dbraw/zinc/06/76/05/1135067605.db2.gz CUGHYEVFCQYSBD-UHFFFAOYSA-N -1 0 344.361 3.859 20 0 EHADRM COc1ccc(CC2(NC(=O)c3cc(F)c([O-])cc3F)CCC2)cc1 ZINC001192888372 1135068625 /nfs/dbraw/zinc/06/86/25/1135068625.db2.gz WACPNWZFBMHEKM-UHFFFAOYSA-N -1 0 347.361 3.574 20 0 EHADRM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1cccc(OC2CCC2)c1 ZINC001193196952 1135113082 /nfs/dbraw/zinc/11/30/82/1135113082.db2.gz CQMWGDJDILVGDD-UHFFFAOYSA-N -1 0 349.390 3.762 20 0 EHADRM O=C(N[C@H](c1ccccc1)c1cccc2ccccc21)c1cc(=O)[nH][n-]1 ZINC001193475445 1135141725 /nfs/dbraw/zinc/14/17/25/1135141725.db2.gz IAYCSPCSUBMPRF-HXUWFJFHSA-N -1 0 343.386 3.788 20 0 EHADRM O=S(=O)(CC1CCC1)[N-]c1ccc(Cl)cc1OC(F)(F)F ZINC001193514429 1135148877 /nfs/dbraw/zinc/14/88/77/1135148877.db2.gz SFKKQXKTFPGHAW-UHFFFAOYSA-N -1 0 343.754 3.780 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccnc(Cl)c2)c2ccccc12 ZINC001193833924 1135190720 /nfs/dbraw/zinc/19/07/20/1135190720.db2.gz RETOFZGRRJYRPQ-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM COCCCO[N-]C(=O)C1(c2cccc(Cl)c2)CCCCC1 ZINC000805039606 1135227672 /nfs/dbraw/zinc/22/76/72/1135227672.db2.gz RYDMJCCYEGWWAZ-UHFFFAOYSA-N -1 0 325.836 3.626 20 0 EHADRM Cc1cccnc1[N-]S(=O)(=O)c1ccc2c(Cl)cccc2c1 ZINC001194216197 1135245334 /nfs/dbraw/zinc/24/53/34/1135245334.db2.gz UZPFNEGVQHQKMD-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)NC(C)(C)c1ccccc1C ZINC001194276551 1135248145 /nfs/dbraw/zinc/24/81/45/1135248145.db2.gz COGHTKPPZWGFCX-UHFFFAOYSA-N -1 0 349.434 3.860 20 0 EHADRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1cccc2cc[nH]c21 ZINC001194270257 1135253665 /nfs/dbraw/zinc/25/36/65/1135253665.db2.gz KVQMMROTJUETJR-UHFFFAOYSA-N -1 0 332.363 3.620 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1csc(-c2ccccn2)n1 ZINC000805255123 1135254076 /nfs/dbraw/zinc/25/40/76/1135254076.db2.gz KXGFVQZUEWDOOI-UHFFFAOYSA-N -1 0 349.774 3.956 20 0 EHADRM Cc1ncccc1[N-]S(=O)(=O)c1cccc2c(Cl)cccc21 ZINC001194404538 1135264886 /nfs/dbraw/zinc/26/48/86/1135264886.db2.gz SFRQGHBRDXLJMR-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2cccc3c(Cl)nccc32)c1O ZINC001194492039 1135278351 /nfs/dbraw/zinc/27/83/51/1135278351.db2.gz UWPOXNYVRBAIDQ-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM O=S(=O)([N-]c1cccc2ccoc21)c1ncccc1C(F)(F)F ZINC001194569436 1135286968 /nfs/dbraw/zinc/28/69/68/1135286968.db2.gz LHBZQRBUZQUFBG-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1c(O)cccc1C(F)(F)F ZINC001194643116 1135296537 /nfs/dbraw/zinc/29/65/37/1135296537.db2.gz IFTTWQWRJSGNNI-UHFFFAOYSA-N -1 0 345.342 3.829 20 0 EHADRM Cc1c(Cl)cccc1OCC(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000829871505 1135337946 /nfs/dbraw/zinc/33/79/46/1135337946.db2.gz BKLZITBKORVPKX-UHFFFAOYSA-N -1 0 349.770 3.747 20 0 EHADRM CC(C)Cc1ccccc1[N-]S(=O)(=O)c1cccc2nccnc21 ZINC001194986668 1135351033 /nfs/dbraw/zinc/35/10/33/1135351033.db2.gz ZNXNOVHVSZGLOH-UHFFFAOYSA-N -1 0 341.436 3.629 20 0 EHADRM C[Si](C)(C)CCS(=O)(=O)[N-]c1cc(-c2ccc(F)cc2)no1 ZINC001195040352 1135358055 /nfs/dbraw/zinc/35/80/55/1135358055.db2.gz DZAFHXOAMKXFAM-UHFFFAOYSA-N -1 0 342.468 3.561 20 0 EHADRM COCCCNc1cccc(F)c1Nc1ccc(C(=O)[O-])cc1F ZINC001203299888 1135380216 /nfs/dbraw/zinc/38/02/16/1135380216.db2.gz ZNVPDWNEGAHVMA-UHFFFAOYSA-N -1 0 336.338 3.855 20 0 EHADRM CON(CC(C)(C)C)C(=O)N=c1[n-]nc(Cc2ccccc2)s1 ZINC000806131445 1135387922 /nfs/dbraw/zinc/38/79/22/1135387922.db2.gz JJMNRGVZVQIFHU-UHFFFAOYSA-N -1 0 334.445 3.570 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2c(C)cccc2Cl)n(C2CCC2)n1 ZINC001195277001 1135403246 /nfs/dbraw/zinc/40/32/46/1135403246.db2.gz CAGJNZLENYOBNJ-UHFFFAOYSA-N -1 0 339.848 3.679 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(C(F)F)nc1 ZINC001195277391 1135404476 /nfs/dbraw/zinc/40/44/76/1135404476.db2.gz HAZUHVPVQANVHH-UHFFFAOYSA-N -1 0 332.759 3.782 20 0 EHADRM C[C@H](CCc1ccccc1)NC(=O)c1c([O-])c(F)c(F)c(F)c1F ZINC001195311297 1135412017 /nfs/dbraw/zinc/41/20/17/1135412017.db2.gz RKDVVXFVCAVVQO-SECBINFHSA-N -1 0 341.304 3.700 20 0 EHADRM Cc1nn(C)c2cc([N-]S(=O)(=O)c3c(C)cccc3Cl)ccc12 ZINC001195309900 1135412026 /nfs/dbraw/zinc/41/20/26/1135412026.db2.gz PXYOXBIUKDLLBW-UHFFFAOYSA-N -1 0 349.843 3.644 20 0 EHADRM CCOc1c(F)cccc1[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC001195316846 1135413863 /nfs/dbraw/zinc/41/38/63/1135413863.db2.gz VQURLFQTWSVZHU-UHFFFAOYSA-N -1 0 343.807 3.987 20 0 EHADRM CON(CC(C)(C)C)C(=O)N=c1[n-]nc(-c2ccsc2)s1 ZINC000806226106 1135414838 /nfs/dbraw/zinc/41/48/38/1135414838.db2.gz HLWCQHVZXOVNJY-UHFFFAOYSA-N -1 0 326.447 3.708 20 0 EHADRM O=C(Nc1cccc(NC(=O)C2CC2)c1)c1cccc(Cl)c1[O-] ZINC000775653449 1135423130 /nfs/dbraw/zinc/42/31/30/1135423130.db2.gz GJPZRWLZAZKZNB-UHFFFAOYSA-N -1 0 330.771 3.646 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000775656949 1135428796 /nfs/dbraw/zinc/42/87/96/1135428796.db2.gz RCUABDBLTMCXNE-UHFFFAOYSA-N -1 0 344.773 3.865 20 0 EHADRM CC(=O)Nc1cccc2c1CCCN2C(=O)c1cccc(Cl)c1[O-] ZINC000775665480 1135444727 /nfs/dbraw/zinc/44/47/27/1135444727.db2.gz CUFWZHADGOIORU-UHFFFAOYSA-N -1 0 344.798 3.597 20 0 EHADRM CC(C)n1ncc2c1nc(/C=C\c1nc(Cl)cs1)cc2C(=O)[O-] ZINC000806561077 1135459551 /nfs/dbraw/zinc/45/95/51/1135459551.db2.gz UDCSXSYYFLELQZ-ARJAWSKDSA-N -1 0 348.815 3.991 20 0 EHADRM C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1)c1cccs1 ZINC000121428682 1135484553 /nfs/dbraw/zinc/48/45/53/1135484553.db2.gz RZLIKPWSQSBUEX-GFCCVEGCSA-N -1 0 345.445 3.510 20 0 EHADRM [O-]c1c(F)c(F)ccc1NC(=S)NCc1cccc(Cl)c1 ZINC001195983573 1135497131 /nfs/dbraw/zinc/49/71/31/1135497131.db2.gz RLYOLRBOIIWDJX-UHFFFAOYSA-N -1 0 328.771 3.810 20 0 EHADRM O=C(Nc1ccnn1CCc1ccccc1)c1cccc(Cl)c1[O-] ZINC000775686926 1135520458 /nfs/dbraw/zinc/52/04/58/1135520458.db2.gz POEPKJXOFZWKGB-UHFFFAOYSA-N -1 0 341.798 3.737 20 0 EHADRM O=C([N-]c1cc(C(F)(F)F)no1)c1snc(Cl)c1Cl ZINC001196333673 1135547328 /nfs/dbraw/zinc/54/73/28/1135547328.db2.gz HSARRVLVOMBQND-UHFFFAOYSA-N -1 0 332.090 3.709 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2ccc(C)cc2F)ccc1SC ZINC001196380745 1135552591 /nfs/dbraw/zinc/55/25/91/1135552591.db2.gz YBSFSZPYNOMTBS-UHFFFAOYSA-N -1 0 341.429 3.665 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)c1cc(Cl)c(F)cc1[O-])C1CC1 ZINC001196478235 1135565958 /nfs/dbraw/zinc/56/59/58/1135565958.db2.gz QEWUPPGIBWGIJQ-INIZCTEOSA-N -1 0 334.778 3.769 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)CC/C=C/c2ccccc2)c(C)c1 ZINC000121467102 1135595613 /nfs/dbraw/zinc/59/56/13/1135595613.db2.gz MGXVZUCZUQEENK-UXBLZVDNSA-N -1 0 343.448 3.602 20 0 EHADRM COc1ccc(F)c(S(=O)(=O)[N-]c2ccccc2C(F)F)c1 ZINC001196756850 1135609178 /nfs/dbraw/zinc/60/91/78/1135609178.db2.gz CWRHEONSDWTXGC-UHFFFAOYSA-N -1 0 331.315 3.573 20 0 EHADRM CN(Cc1cccc(Cl)c1)C(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197096156 1135645730 /nfs/dbraw/zinc/64/57/30/1135645730.db2.gz UXOAGGWRTBWGEN-UHFFFAOYSA-N -1 0 334.828 3.867 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N[C@H](c2ccccc2)C2CC2)cc1 ZINC001197075231 1135647289 /nfs/dbraw/zinc/64/72/89/1135647289.db2.gz GQBQOGHQXPSIGC-MRXNPFEDSA-N -1 0 326.421 3.823 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N[C@@H]2CCCc3c(F)cccc32)cc1 ZINC001197138290 1135648974 /nfs/dbraw/zinc/64/89/74/1135648974.db2.gz JANPPWONEGATHH-MRXNPFEDSA-N -1 0 344.411 3.888 20 0 EHADRM CC(C)(C)O[C@H]1C[C@H](NC(=O)c2cccc(Cl)c2[O-])C12CCC2 ZINC001131235299 1135649110 /nfs/dbraw/zinc/64/91/10/1135649110.db2.gz KEGFBIXIPJWODC-KBPBESRZSA-N -1 0 337.847 3.902 20 0 EHADRM CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2cccc(Cl)c2[O-])C12CCC2 ZINC001131235300 1135649232 /nfs/dbraw/zinc/64/92/32/1135649232.db2.gz KEGFBIXIPJWODC-KGLIPLIRSA-N -1 0 337.847 3.902 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2c(F)c(F)cc(F)c2F)cc1 ZINC001197107697 1135650244 /nfs/dbraw/zinc/65/02/44/1135650244.db2.gz KXBWJOPDKMGXGF-UHFFFAOYSA-N -1 0 344.289 3.750 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CC[C@@H](COCc2ccccc2)C1 ZINC000775759109 1135651265 /nfs/dbraw/zinc/65/12/65/1135651265.db2.gz WHGCKABHSYWNGY-OAHLLOKOSA-N -1 0 345.826 3.725 20 0 EHADRM Cc1ccc(CCNC(=S)Nc2ccc(C(=O)[O-])cc2)cc1C ZINC001197127908 1135652530 /nfs/dbraw/zinc/65/25/30/1135652530.db2.gz FBJHZPVIZQJLCP-UHFFFAOYSA-N -1 0 328.437 3.531 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)Cc2c(F)cccc2F)sn1 ZINC001197567911 1135707534 /nfs/dbraw/zinc/70/75/34/1135707534.db2.gz UVZZSXYNDKOIKP-UHFFFAOYSA-N -1 0 346.424 3.661 20 0 EHADRM O=S(=O)(Cc1cccc(Cl)c1Cl)[N-]c1ncc(F)s1 ZINC001197717350 1135723518 /nfs/dbraw/zinc/72/35/18/1135723518.db2.gz AZQXHPNMUIMDSV-UHFFFAOYSA-N -1 0 341.216 3.531 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2ccc(-c3ccc(F)cc3)cc2)c1 ZINC001197955866 1135757686 /nfs/dbraw/zinc/75/76/86/1135757686.db2.gz IROFYCCXLYNQMB-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cc(C)ccn2)snc1-c1ccccc1 ZINC001197966942 1135758730 /nfs/dbraw/zinc/75/87/30/1135758730.db2.gz DNSDSYUBLZYYHP-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2cccc(-c3cccc(F)c3)c2)c1 ZINC001198004783 1135761169 /nfs/dbraw/zinc/76/11/69/1135761169.db2.gz UFGAFIOYTRDHDD-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2ccc(F)cc2-c2ccccc2)c1 ZINC001198009763 1135761370 /nfs/dbraw/zinc/76/13/70/1135761370.db2.gz VJPRKUFDRPIBKO-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2cccc3cccc(Cl)c32)c1 ZINC001198012171 1135761391 /nfs/dbraw/zinc/76/13/91/1135761391.db2.gz PWVKVVULLRQHFY-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM O=S(=O)([N-]c1ccc(F)nc1)c1ccccc1Oc1ccccc1 ZINC001198444162 1135820399 /nfs/dbraw/zinc/82/03/99/1135820399.db2.gz YYIQTAJFDANPAS-UHFFFAOYSA-N -1 0 344.367 3.814 20 0 EHADRM Cn1c([N-]S(=O)(=O)c2ccc3occc3c2)cc2ccccc21 ZINC001198825378 1135857422 /nfs/dbraw/zinc/85/74/22/1135857422.db2.gz BBFJBMQPWAFQJL-UHFFFAOYSA-N -1 0 326.377 3.725 20 0 EHADRM O=C(Nc1ccccc1[S-])c1ncccc1OCC(F)(F)F ZINC001198948898 1135872022 /nfs/dbraw/zinc/87/20/22/1135872022.db2.gz CBIBSEPDLBHCPP-UHFFFAOYSA-N -1 0 328.315 3.564 20 0 EHADRM CC(C)n1ccc(C(=O)Nc2c(Cl)ccc([O-])c2Cl)cc1=O ZINC001199493400 1135907656 /nfs/dbraw/zinc/90/76/56/1135907656.db2.gz PGWMXOGNSBJVEU-UHFFFAOYSA-N -1 0 341.194 3.694 20 0 EHADRM CCC(CC)CS(=O)(=O)[N-]C(=O)[C@H](C)CCCc1ccccc1 ZINC000776087768 1135952103 /nfs/dbraw/zinc/95/21/03/1135952103.db2.gz AMWIZLUAZWYVGB-OAHLLOKOSA-N -1 0 339.501 3.528 20 0 EHADRM CCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000776092995 1135954077 /nfs/dbraw/zinc/95/40/77/1135954077.db2.gz BGUYIQHIJJILLP-ZDUSSCGKSA-N -1 0 329.437 3.546 20 0 EHADRM Cc1cc(C)c(Cl)c(Nc2ccc(C(=O)NCC(=O)[O-])cc2)c1 ZINC001201597812 1136039349 /nfs/dbraw/zinc/03/93/49/1136039349.db2.gz QWSXPVDPZKMIDY-UHFFFAOYSA-N -1 0 332.787 3.515 20 0 EHADRM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2sc(Cl)nc2C)on1 ZINC001201728785 1136056229 /nfs/dbraw/zinc/05/62/29/1136056229.db2.gz ZTXHSRJTYGHCHY-ZETCQYMHSA-N -1 0 349.865 3.797 20 0 EHADRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1ccc2scnc2c1 ZINC001201756493 1136060139 /nfs/dbraw/zinc/06/01/39/1136060139.db2.gz VKBDIULYGBQBFB-UHFFFAOYSA-N -1 0 345.858 3.515 20 0 EHADRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1ccc2occc2c1 ZINC001201764987 1136061132 /nfs/dbraw/zinc/06/11/32/1136061132.db2.gz NPRKRSLGWRGAHK-UHFFFAOYSA-N -1 0 328.802 3.652 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccnc(Cl)c2C)sc1Cl ZINC000811835603 1136143139 /nfs/dbraw/zinc/14/31/39/1136143139.db2.gz DJQWHVBKQQLEQO-UHFFFAOYSA-N -1 0 337.253 3.868 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)Nc2ccc3ncccc3c2)c1 ZINC000811821310 1136145264 /nfs/dbraw/zinc/14/52/64/1136145264.db2.gz CIBYXTHGXQIIRE-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM CCOC(=O)/C(=C/c1cc(C(=O)[O-])cs1)c1ccncc1Cl ZINC000812244735 1136189010 /nfs/dbraw/zinc/18/90/10/1136189010.db2.gz MQHQMDHAHZUUEN-WUXMJOGZSA-N -1 0 337.784 3.598 20 0 EHADRM O=C(COc1cc(Cl)c(Cl)cc1Cl)[N-]OC/C=C\Cl ZINC000812401228 1136201638 /nfs/dbraw/zinc/20/16/38/1136201638.db2.gz XGMHENQCQOAVQZ-UPHRSURJSA-N -1 0 345.009 3.826 20 0 EHADRM O=C([N-]S(=O)(=O)c1csc2ccccc21)C1CCC2(CC2)CC1 ZINC000851018614 1136328843 /nfs/dbraw/zinc/32/88/43/1136328843.db2.gz PCLUMAREOMZRPW-UHFFFAOYSA-N -1 0 349.477 3.677 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)/C=C/C1CCCCC1 ZINC000814018901 1136386627 /nfs/dbraw/zinc/38/66/27/1136386627.db2.gz RYPLOWAZLTXBEV-CLVCIHKQSA-N -1 0 335.469 3.720 20 0 EHADRM O=C(Nc1ccccc1-c1ccccc1)c1n[n-]c2ccccc2c1=O ZINC000110043989 1136390752 /nfs/dbraw/zinc/39/07/52/1136390752.db2.gz LDPHGIUVOSZGAI-UHFFFAOYSA-N -1 0 341.370 3.842 20 0 EHADRM CCN(C(=O)c1ccc(/C=C\C(=O)[O-])o1)[C@H](C)c1cccc(OC)c1 ZINC000851594833 1136394909 /nfs/dbraw/zinc/39/49/09/1136394909.db2.gz MERMNLYLGCGRKP-PRWOLLLXSA-N -1 0 343.379 3.609 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2ccc(/C=C/C(=O)[O-])o2)C1 ZINC000851594008 1136394940 /nfs/dbraw/zinc/39/49/40/1136394940.db2.gz FTSWCJJUXVZBLC-QSTFCLMHSA-N -1 0 339.391 3.704 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(/C=C\C(=O)[O-])o2)CC[C@H]1c1ccccc1 ZINC000851595112 1136395272 /nfs/dbraw/zinc/39/52/72/1136395272.db2.gz MTRUBFQDHPXMFW-HQKWHGAHSA-N -1 0 339.391 3.643 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cccc(SC(F)(F)F)c1 ZINC000851599564 1136395290 /nfs/dbraw/zinc/39/52/90/1136395290.db2.gz HARPQWAGHYGMAL-SECBINFHSA-N -1 0 335.347 3.624 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)C[C@]23CCCC[C@H]2C3(F)F)cc1 ZINC000851597934 1136395471 /nfs/dbraw/zinc/39/54/71/1136395471.db2.gz FTASKMRBGNSBOB-RBJPWVEASA-N -1 0 335.350 3.939 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851601306 1136395861 /nfs/dbraw/zinc/39/58/61/1136395861.db2.gz KPQKLXCZPMWDKZ-TYZQSYOASA-N -1 0 341.407 3.779 20 0 EHADRM C[C@@]1(Cc2ccccc2)CCCN1C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851607441 1136396296 /nfs/dbraw/zinc/39/62/96/1136396296.db2.gz MWEUVFMERNSXJW-XADARROHSA-N -1 0 339.391 3.615 20 0 EHADRM CC(C)c1ccccc1C(=O)N[C@@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000851607040 1136396305 /nfs/dbraw/zinc/39/63/05/1136396305.db2.gz UWEVANSZSHHPCM-KXBFYZLASA-N -1 0 339.435 3.872 20 0 EHADRM CC1(C)CCC[C@@H]1[C@H]1CCN(C(=O)c2ccc(/C=C\C(=O)[O-])o2)C1 ZINC000851609346 1136396380 /nfs/dbraw/zinc/39/63/80/1136396380.db2.gz UFCDLCVHPAFSJY-FZSTZKMBSA-N -1 0 331.412 3.666 20 0 EHADRM C[C@H]1CN(C(=O)Cc2ccc(C3CCCCC3)cc2)CC[C@H]1C(=O)[O-] ZINC000851605688 1136396393 /nfs/dbraw/zinc/39/63/93/1136396393.db2.gz MDGKRMZGMKMHMA-HNAYVOBHSA-N -1 0 343.467 3.846 20 0 EHADRM CCC[C@@](C)(NC(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000776611330 1136470964 /nfs/dbraw/zinc/47/09/64/1136470964.db2.gz XONNTUCFOJFAAU-SIFUEBAJSA-N -1 0 343.345 3.868 20 0 EHADRM OC(=NOCCC1CC1)N=c1nc(Sc2ccccc2)[n-]s1 ZINC000814669792 1136492537 /nfs/dbraw/zinc/49/25/37/1136492537.db2.gz IPKJYAKWCJYGGO-UHFFFAOYSA-N -1 0 336.442 3.543 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cccc(SC(F)(F)F)c1 ZINC000852944569 1136493782 /nfs/dbraw/zinc/49/37/82/1136493782.db2.gz IWFSQDFLIDDELV-ONGXEEELSA-N -1 0 347.358 3.624 20 0 EHADRM CC1CCN(c2ccc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc2)CC1 ZINC000852946603 1136493802 /nfs/dbraw/zinc/49/38/02/1136493802.db2.gz XYYYNNZGCSWLOO-INIZCTEOSA-N -1 0 332.444 3.608 20 0 EHADRM O=C([O-])[C@H](CNC(=O)Nc1ccc(SC(F)F)cc1)C1CCC1 ZINC000853091567 1136507790 /nfs/dbraw/zinc/50/77/90/1136507790.db2.gz WGXUDAUOHDMDIX-GFCCVEGCSA-N -1 0 344.383 3.624 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1C ZINC000776647390 1136513869 /nfs/dbraw/zinc/51/38/69/1136513869.db2.gz NJNAZRHDAWTBQC-UHFFFAOYSA-N -1 0 345.370 3.938 20 0 EHADRM O=C(N[C@H](Cc1ccccc1)c1ccccn1)c1cccc(F)c1[O-] ZINC001134764441 1136525711 /nfs/dbraw/zinc/52/57/11/1136525711.db2.gz JDKSCWATNSTLKX-GOSISDBHSA-N -1 0 336.366 3.640 20 0 EHADRM C[C@H]([N-]C(=O)C(F)(F)c1ccc(Br)cc1)C(F)(F)F ZINC000854481446 1136619721 /nfs/dbraw/zinc/61/97/21/1136619721.db2.gz HAUQBZUYVCPCHL-LURJTMIESA-N -1 0 346.093 3.608 20 0 EHADRM Cc1cc(C)cc(NC(=O)[C@H](C)OC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000854606640 1136631459 /nfs/dbraw/zinc/63/14/59/1136631459.db2.gz LEHVPLNGPVRBNJ-LBPRGKRZSA-N -1 0 347.798 3.846 20 0 EHADRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cc(Cl)sc1Cl ZINC000112493497 1136635164 /nfs/dbraw/zinc/63/51/64/1136635164.db2.gz CYUMWFDORVBASQ-SSDOTTSWSA-N -1 0 344.285 3.551 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1ccc2c(c1)CCCC2=O ZINC000815815046 1136639993 /nfs/dbraw/zinc/63/99/93/1136639993.db2.gz IOIICEHROWOSRK-UHFFFAOYSA-N -1 0 338.388 3.888 20 0 EHADRM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000815893896 1136648219 /nfs/dbraw/zinc/64/82/19/1136648219.db2.gz APSFDZBCZRCOJV-HBCWATKFSA-N -1 0 349.496 3.534 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)/C(F)=C\C2CCCCC2)sc1C ZINC000816004063 1136658592 /nfs/dbraw/zinc/65/85/92/1136658592.db2.gz OPNOGYNXFDVCJY-UKTHLTGXSA-N -1 0 345.461 3.604 20 0 EHADRM O=C(CSc1n[n-]c(=S)s1)N[C@H]1CCCC12CCCCC2 ZINC000855204388 1136677439 /nfs/dbraw/zinc/67/74/39/1136677439.db2.gz ZCJRFYCCERSNAX-JTQLQIEISA-N -1 0 343.543 3.538 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H](C)c1ccccc1 ZINC000816112081 1136677674 /nfs/dbraw/zinc/67/76/74/1136677674.db2.gz MIHSBEACSYBUBR-MAUKXSAKSA-N -1 0 345.464 3.633 20 0 EHADRM C/C(=C/C(=O)[N-]S(=O)(=O)[C@H](c1ccccc1)C(C)C)C(C)(C)C ZINC000816110562 1136677748 /nfs/dbraw/zinc/67/77/48/1136677748.db2.gz CJZGVTSHYZHFJS-AINHQSCGSA-N -1 0 337.485 3.822 20 0 EHADRM O=C(NCCc1ccc(C(F)(F)F)cc1)c1cc(F)cc(F)c1[O-] ZINC001135424537 1136681950 /nfs/dbraw/zinc/68/19/50/1136681950.db2.gz DTENIEPSRLLKTB-UHFFFAOYSA-N -1 0 345.267 3.662 20 0 EHADRM Cc1cccc(C)c1CS(=O)(=O)[N-]C(=O)CC1(C)CCCCC1 ZINC000816335857 1136700964 /nfs/dbraw/zinc/70/09/64/1136700964.db2.gz GBCKDAOYVAWXBJ-UHFFFAOYSA-N -1 0 337.485 3.610 20 0 EHADRM CCc1ccc(NC(=O)c2nn(-c3cc(C)ccc3F)cc2[O-])cc1 ZINC001135546524 1136707923 /nfs/dbraw/zinc/70/79/23/1136707923.db2.gz JPPXCEYTZVMSDC-UHFFFAOYSA-N -1 0 339.370 3.840 20 0 EHADRM CCCCOC(=O)c1ccc(NC(=O)c2c([O-])cccc2F)cc1 ZINC001135647673 1136742371 /nfs/dbraw/zinc/74/23/71/1136742371.db2.gz KTEXFUZSCOFGSV-UHFFFAOYSA-N -1 0 331.343 3.741 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)c2ccc3oc(=S)[n-]c3c2)cc1F ZINC000816823331 1136758057 /nfs/dbraw/zinc/75/80/57/1136758057.db2.gz QQXSVTVDQLYWGP-SECBINFHSA-N -1 0 346.383 3.755 20 0 EHADRM O=C([N-]OCC1CC1)C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000817330868 1136798984 /nfs/dbraw/zinc/79/89/84/1136798984.db2.gz RRAMUZSNHUVNFG-UHFFFAOYSA-N -1 0 327.346 3.975 20 0 EHADRM C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)[N-]OCC1CC1 ZINC000817339765 1136799732 /nfs/dbraw/zinc/79/97/32/1136799732.db2.gz WQQLTNAUBKXYTB-HNNXBMFYSA-N -1 0 325.408 3.503 20 0 EHADRM CC(C)c1ccc(-n2ccnc2SCC(=O)[N-]OCC2CC2)cc1 ZINC000817367447 1136800956 /nfs/dbraw/zinc/80/09/56/1136800956.db2.gz ALPYCOATITZEKN-UHFFFAOYSA-N -1 0 345.468 3.546 20 0 EHADRM CCc1ccc(-c2nc(CC(=O)[N-]OCCC3CC3)cs2)cc1 ZINC000817392783 1136804192 /nfs/dbraw/zinc/80/41/92/1136804192.db2.gz AFKIUCORMGPGJD-UHFFFAOYSA-N -1 0 330.453 3.763 20 0 EHADRM COCCN(Cc1ccc(C)cc1C)C(=O)c1cc(F)cc(F)c1[O-] ZINC001136176720 1136897793 /nfs/dbraw/zinc/89/77/93/1136897793.db2.gz ILCOOXUGHNEVCW-UHFFFAOYSA-N -1 0 349.377 3.576 20 0 EHADRM O=c1cc(-c2ccncc2)[n-]n1-c1c(F)cccc1Br ZINC001245909908 1136918657 /nfs/dbraw/zinc/91/86/57/1136918657.db2.gz BWAAKSGJFHNSGQ-UHFFFAOYSA-N -1 0 334.148 3.542 20 0 EHADRM Cc1c(Br)cccc1-n1[n-]c(CC(F)(F)F)cc1=O ZINC001245952657 1136957851 /nfs/dbraw/zinc/95/78/51/1136957851.db2.gz QMMYRSFPDKQHLN-UHFFFAOYSA-N -1 0 335.123 3.754 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)c3ncc(C)cc3[O-])cn2)cc1 ZINC001136277259 1136964841 /nfs/dbraw/zinc/96/48/41/1136964841.db2.gz FDOALVCHCJDVSN-UHFFFAOYSA-N -1 0 335.363 3.844 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)N3CCC[C@H]4CCC[C@@H]43)c([O-])c2)o1 ZINC000820296616 1136985257 /nfs/dbraw/zinc/98/52/57/1136985257.db2.gz WTFMEGPKLSJEPB-DYVFJYSZSA-N -1 0 339.391 3.869 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)n2)s1 ZINC000116600921 1137008042 /nfs/dbraw/zinc/00/80/42/1137008042.db2.gz KWCJOUNSFVHKJS-UHFFFAOYSA-N -1 0 336.360 3.525 20 0 EHADRM Cc1ncc(S(=O)(=O)[N-]c2ccc3nc(Cl)sc3c2)s1 ZINC000821097275 1137018291 /nfs/dbraw/zinc/01/82/91/1137018291.db2.gz QSWPYWVOMWREJX-UHFFFAOYSA-N -1 0 345.858 3.515 20 0 EHADRM CCSc1nc(C)c([C@H](CC)C(=O)[N-]O[C@@H]2CCCCO2)s1 ZINC001136459843 1137031140 /nfs/dbraw/zinc/03/11/40/1137031140.db2.gz ISOISGVLLWEZQJ-NWDGAFQWSA-N -1 0 344.502 3.632 20 0 EHADRM O=C(Nc1cc(C2CCCC2)nn1-c1ccccc1)c1ncccc1[O-] ZINC001136529705 1137046241 /nfs/dbraw/zinc/04/62/41/1137046241.db2.gz MGQLHSGNQOTECN-UHFFFAOYSA-N -1 0 348.406 3.883 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)COc1cccc2ccccc21 ZINC000013447602 1137085642 /nfs/dbraw/zinc/08/56/42/1137085642.db2.gz REOUXFPFERUJRF-UHFFFAOYSA-N -1 0 347.370 3.506 20 0 EHADRM C/C(=C/C(=O)N1CCC[C@]1(C)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000823338204 1137095458 /nfs/dbraw/zinc/09/54/58/1137095458.db2.gz CSKVGELMDDDMMA-BLIJAFNYSA-N -1 0 341.329 3.574 20 0 EHADRM CCCCN(C(=O)c1cccc(F)c1[O-])[C@H]1CCc2ncsc2C1 ZINC000823706236 1137110315 /nfs/dbraw/zinc/11/03/15/1137110315.db2.gz WBJOCACEZNAGEH-LBPRGKRZSA-N -1 0 348.443 3.788 20 0 EHADRM CC1(c2nsc([N-]C(=O)c3nc(Cl)sc3Cl)n2)CC1 ZINC000862610599 1137152165 /nfs/dbraw/zinc/15/21/65/1137152165.db2.gz RQHWOBXSVQMPQJ-UHFFFAOYSA-N -1 0 335.241 3.605 20 0 EHADRM O=C([O-])CCCC(=O)Nc1ccc2[nH]c(C3CCCCC3)nc2c1 ZINC000844252144 1137205105 /nfs/dbraw/zinc/20/51/05/1137205105.db2.gz MZTXVMHEPPTGJP-UHFFFAOYSA-N -1 0 329.400 3.804 20 0 EHADRM COc1cc(C(=O)[O-])cc(NCc2cccc3c2CCC3)c1OC ZINC000844290197 1137209574 /nfs/dbraw/zinc/20/95/74/1137209574.db2.gz JAMNCASHPIYIAH-UHFFFAOYSA-N -1 0 327.380 3.503 20 0 EHADRM Cc1ccccc1[C@@H]1CCCN1C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000864103621 1137214936 /nfs/dbraw/zinc/21/49/36/1137214936.db2.gz OCNDUSGOGHONMH-JJEJIETFSA-N -1 0 325.364 3.663 20 0 EHADRM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000864100225 1137215119 /nfs/dbraw/zinc/21/51/19/1137215119.db2.gz SLUIRIALQUTGDC-GAJOTYCWSA-N -1 0 339.391 3.818 20 0 EHADRM O=C([O-])C1CCC(NC(=O)/C=C\c2ccc(F)c3ccccc23)CC1 ZINC000864120278 1137216043 /nfs/dbraw/zinc/21/60/43/1137216043.db2.gz GLROKAWFUIKZAQ-WQLSENKSSA-N -1 0 341.382 3.752 20 0 EHADRM C[C@@H]1CCN(C(=O)/C=C/c2cc(C(=O)[O-])co2)[C@H]1c1cccc(F)c1 ZINC000864130343 1137216525 /nfs/dbraw/zinc/21/65/25/1137216525.db2.gz UTTNTUSAUFFYHU-SZRIQHFXSA-N -1 0 343.354 3.740 20 0 EHADRM CC1(c2ccccc2)CCN(C(=O)/C=C/c2cc(C(=O)[O-])co2)CC1 ZINC000864134316 1137216600 /nfs/dbraw/zinc/21/66/00/1137216600.db2.gz VAKQYHXGEMZDGC-BQYQJAHWSA-N -1 0 339.391 3.571 20 0 EHADRM Cc1cc([C@H](NC(=O)/C=C/c2cc(C(=O)[O-])co2)C2CC2)ccc1F ZINC000864152915 1137217461 /nfs/dbraw/zinc/21/74/61/1137217461.db2.gz SPRSIMJFLYVMHD-SUQGKYDKSA-N -1 0 343.354 3.706 20 0 EHADRM C/C(=C/C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21)c1ccccc1Cl ZINC000864175378 1137217897 /nfs/dbraw/zinc/21/78/97/1137217897.db2.gz JYFQVCGWYWDAON-BOGZGCSFSA-N -1 0 347.842 3.845 20 0 EHADRM C/C(=C\c1ccccc1Cl)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000864174435 1137217925 /nfs/dbraw/zinc/21/79/25/1137217925.db2.gz FSZBLCQCGGQOES-KXSRPYMOSA-N -1 0 347.842 3.845 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N2CCC[C@](F)(c3ccccc3)C2)CC1 ZINC000864202231 1137218919 /nfs/dbraw/zinc/21/89/19/1137218919.db2.gz PYMXKAFIJVFVBI-ALLBUHFWSA-N -1 0 347.430 3.755 20 0 EHADRM O=C(CC(c1ccccc1)c1ccccc1)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC000864208432 1137218934 /nfs/dbraw/zinc/21/89/34/1137218934.db2.gz BYDWMIHMZKYGEQ-FGSXEWAUSA-N -1 0 349.430 3.578 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1 ZINC000864209560 1137218981 /nfs/dbraw/zinc/21/89/81/1137218981.db2.gz KSFPDXMOCJGZBE-IQUTYRLHSA-N -1 0 345.464 3.728 20 0 EHADRM CCc1ccccc1[C@H](CC(=O)[O-])NC(=O)N(C)Cc1ccccc1 ZINC000864447904 1137227919 /nfs/dbraw/zinc/22/79/19/1137227919.db2.gz KUJHSMFMIXZGJG-SFHVURJKSA-N -1 0 340.423 3.606 20 0 EHADRM COc1nc(C(F)(F)F)ccc1-c1ccc2c(c1)[C@H]1[C@H](C(=O)[O-])[C@H]1C2 ZINC000864609662 1137236316 /nfs/dbraw/zinc/23/63/16/1137236316.db2.gz BLPJIZFOYOHYPU-NWANDNLSSA-N -1 0 349.308 3.746 20 0 EHADRM C/C(=C\c1ccc(-c2cc(F)ccc2OC[C@@H]2CCOC2)o1)C(=O)[O-] ZINC000864608493 1137236424 /nfs/dbraw/zinc/23/64/24/1137236424.db2.gz JOVWHSLLDNZKLP-YQCJOKCJSA-N -1 0 346.354 3.989 20 0 EHADRM CC(C)[C@H]1CN(C(=O)c2n[n-]c3ccccc3c2=O)c2ccccc21 ZINC000772915516 1137267427 /nfs/dbraw/zinc/26/74/27/1137267427.db2.gz CPGZRMCTVAMVLD-OAHLLOKOSA-N -1 0 333.391 3.735 20 0 EHADRM CCCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000845494208 1137294876 /nfs/dbraw/zinc/29/48/76/1137294876.db2.gz NHTAQTREEMVJNC-UHFFFAOYSA-N -1 0 331.503 3.677 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2csc3ccccc32)CC1 ZINC000845565407 1137297966 /nfs/dbraw/zinc/29/79/66/1137297966.db2.gz IAAMWKYLBZVEPV-HAQNSBGRSA-N -1 0 337.466 3.533 20 0 EHADRM O=C(Cc1ccc(O)c(F)c1)Nc1c(Cl)ccc([O-])c1Cl ZINC001144631046 1137320843 /nfs/dbraw/zinc/32/08/43/1137320843.db2.gz CZOWXLKULJDIFR-UHFFFAOYSA-N -1 0 330.142 3.725 20 0 EHADRM [O-]c1cc(F)c(C[NH+]2CCC3(CC2)OCCc2ccccc23)cc1F ZINC001144657905 1137323728 /nfs/dbraw/zinc/32/37/28/1137323728.db2.gz MSONFDCEKHUXDL-UHFFFAOYSA-N -1 0 345.389 3.734 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCC2(CC1)C(F)(F)C2(F)F ZINC000846366584 1137347827 /nfs/dbraw/zinc/34/78/27/1137347827.db2.gz LDHMJYVJKDFIPS-UHFFFAOYSA-N -1 0 337.700 3.552 20 0 EHADRM CCOc1cc(C(=O)N2CCC[C@]3(CC3(F)F)C2)cc(Cl)c1O ZINC000846573959 1137357152 /nfs/dbraw/zinc/35/71/52/1137357152.db2.gz UXTVKADBMNBFBC-HNNXBMFYSA-N -1 0 345.773 3.706 20 0 EHADRM O=C(N[C@@H]1CCc2ccc(F)cc21)c1ccc2oc(=S)[n-]c2c1 ZINC001144927734 1137364188 /nfs/dbraw/zinc/36/41/88/1137364188.db2.gz NRCKDAYQKIROJB-CYBMUJFWSA-N -1 0 328.368 3.673 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)C1C[C@H]2CCCC[C@@H](C1)C2=O ZINC000866662681 1137372853 /nfs/dbraw/zinc/37/28/53/1137372853.db2.gz BDVNEAJVAKJXQC-FOSCPWQOSA-N -1 0 344.436 3.841 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000846968067 1137379866 /nfs/dbraw/zinc/37/98/66/1137379866.db2.gz POSJXTVLXUHBLX-MAZHCROVSA-N -1 0 337.847 3.591 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)NC[C@@H]3CCC[C@@H]4C[C@@H]43)c([O-])c2)o1 ZINC001147564132 1137410023 /nfs/dbraw/zinc/41/00/23/1137410023.db2.gz NSKFOZHEKYKHGM-IFIJOSMWSA-N -1 0 339.391 3.631 20 0 EHADRM Cc1ccc(NC(=O)c2c([O-])cccc2Cl)cc1NC(=O)N(C)C ZINC000794412791 1137429639 /nfs/dbraw/zinc/42/96/39/1137429639.db2.gz LYHOPGBPIKOLER-UHFFFAOYSA-N -1 0 347.802 3.700 20 0 EHADRM CC(=O)c1cc(C(=O)Nc2ccc3[n-]c(=S)sc3c2)ccc1O ZINC001148665186 1137431303 /nfs/dbraw/zinc/43/13/03/1137431303.db2.gz ZNYCTTOENUBGTE-UHFFFAOYSA-N -1 0 344.417 3.746 20 0 EHADRM CC(C)CCn1ccc(NC(=O)c2ccc3[n-]c(=S)oc3c2)n1 ZINC000122422205 1137436795 /nfs/dbraw/zinc/43/67/95/1137436795.db2.gz ZWRYNKBJBRRKDN-UHFFFAOYSA-N -1 0 330.413 3.611 20 0 EHADRM CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Br)cc(F)c1[O-] ZINC000869297880 1137445884 /nfs/dbraw/zinc/44/58/84/1137445884.db2.gz FAPXEGSRTCTWTD-UQPYNNQESA-N -1 0 342.208 3.697 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(Cl)c2)o1 ZINC000773231880 1137480557 /nfs/dbraw/zinc/48/05/57/1137480557.db2.gz HRJAIXSRXHCRIS-UHFFFAOYSA-N -1 0 340.832 3.642 20 0 EHADRM CC1(C(=O)Nc2cc(F)cc(C[N-]C(=O)C(F)(F)F)c2)CCCC1 ZINC000870769359 1137509581 /nfs/dbraw/zinc/50/95/81/1137509581.db2.gz ZGUHACCFSATHRY-UHFFFAOYSA-N -1 0 346.324 3.523 20 0 EHADRM CC/C(C)=C(\C)C(=O)Nc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000870770229 1137509609 /nfs/dbraw/zinc/50/96/09/1137509609.db2.gz REMWQTRUYDDIRN-MDZDMXLPSA-N -1 0 346.324 3.689 20 0 EHADRM CC(C)(c1ccc(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cc1)C(F)(F)F ZINC000871656071 1137551924 /nfs/dbraw/zinc/55/19/24/1137551924.db2.gz SCTLDYSTVFNTNC-OTCDBFHCSA-N -1 0 344.333 3.511 20 0 EHADRM Cc1c(-c2cccs2)[n-]n(-c2ncnc(Cl)c2C(C)C)c1=O ZINC000871957136 1137563682 /nfs/dbraw/zinc/56/36/82/1137563682.db2.gz OJLGONWEINSXHW-VIFPVBQESA-N -1 0 334.832 3.702 20 0 EHADRM CSc1nc(Cl)cc(-n2[n-]c3c(c2=O)C[C@@H](C(C)C)CC3)n1 ZINC000871957578 1137563713 /nfs/dbraw/zinc/56/37/13/1137563713.db2.gz XFMYFRUMOCRPPC-VHSXEESVSA-N -1 0 338.864 3.627 20 0 EHADRM Cc1c(-c2ccccc2)[n-]n(-c2ncnc(Cl)c2C(C)C)c1=O ZINC000871957179 1137563740 /nfs/dbraw/zinc/56/37/40/1137563740.db2.gz PVOVDENTFUAFSF-LLVKDONJSA-N -1 0 328.803 3.640 20 0 EHADRM CC(C)Sc1ccccc1NC(=O)[C@@H]1CC[C@H](CCC(=O)[O-])O1 ZINC000872717557 1137583149 /nfs/dbraw/zinc/58/31/49/1137583149.db2.gz ZQWBSGVUETTYSG-OCCSQVGLSA-N -1 0 337.441 3.538 20 0 EHADRM Cc1cc(C)c(NC(=O)C[C@]2(C(=O)[O-])CCc3ccccc32)c(C)c1 ZINC000872833861 1137585261 /nfs/dbraw/zinc/58/52/61/1137585261.db2.gz XAWNFDNJMFTPBX-OAQYLSRUSA-N -1 0 337.419 3.909 20 0 EHADRM Cc1ccc(-c2ccncc2)cc1NC(=O)C1=C(C(=O)[O-])CCCC1 ZINC000872842129 1137585378 /nfs/dbraw/zinc/58/53/78/1137585378.db2.gz NTHJAHDAZSTYNC-UHFFFAOYSA-N -1 0 336.391 3.951 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)C3=C(C(=O)[O-])CCCC3)cc2)oc1C ZINC000872909067 1137586436 /nfs/dbraw/zinc/58/64/36/1137586436.db2.gz CHVQAQVGJGATPX-UHFFFAOYSA-N -1 0 340.379 3.852 20 0 EHADRM Cc1ccc([C@H]2CCCCN2C(=O)C(C)(C)SCC(=O)[O-])cc1 ZINC000872932143 1137586689 /nfs/dbraw/zinc/58/66/89/1137586689.db2.gz LTSJOIUXAPKPCM-OAHLLOKOSA-N -1 0 335.469 3.645 20 0 EHADRM CC(C)Sc1ccccc1NC(=O)C(C)(C)SCC(=O)[O-] ZINC000872952714 1137586903 /nfs/dbraw/zinc/58/69/03/1137586903.db2.gz PKSGUKLZWCPMSY-UHFFFAOYSA-N -1 0 327.471 3.722 20 0 EHADRM CC(C)C[C@](C)(CC(=O)[O-])C(=O)Nc1cc(F)c(F)c(F)c1F ZINC000872995784 1137587662 /nfs/dbraw/zinc/58/76/62/1137587662.db2.gz FFVRBVTXDRXYCC-OAHLLOKOSA-N -1 0 335.297 3.709 20 0 EHADRM O=C([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CCC=CCC1 ZINC000873495732 1137600919 /nfs/dbraw/zinc/60/09/19/1137600919.db2.gz XALCCOWCCPHMAC-UHFFFAOYSA-N -1 0 348.251 3.545 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(Cc2scnc2Cl)CC1 ZINC000873641486 1137605563 /nfs/dbraw/zinc/60/55/63/1137605563.db2.gz UTCDTPHCHLDWLV-UHFFFAOYSA-N -1 0 336.844 3.874 20 0 EHADRM CC[C@H]1CCCCN1C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000873723549 1137606331 /nfs/dbraw/zinc/60/63/31/1137606331.db2.gz PIUKGHGRZHYMJT-AWEZNQCLSA-N -1 0 327.380 3.869 20 0 EHADRM CCCCN(C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])C1CC1 ZINC000873971997 1137608665 /nfs/dbraw/zinc/60/86/65/1137608665.db2.gz WVLCHUXCUZRDRE-UHFFFAOYSA-N -1 0 327.380 3.869 20 0 EHADRM O=C([N-]c1nnc(C2CCCCC2)s1)c1ocnc1C(F)(F)F ZINC000874135354 1137610871 /nfs/dbraw/zinc/61/08/71/1137610871.db2.gz VOOZRDNULPVPSI-UHFFFAOYSA-N -1 0 346.334 3.845 20 0 EHADRM CC1(C)CCN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])CC1 ZINC000874296326 1137612808 /nfs/dbraw/zinc/61/28/08/1137612808.db2.gz ZSOBDMKOLNOKKD-UHFFFAOYSA-N -1 0 327.380 3.727 20 0 EHADRM O=S(=O)([N-]c1ncsc1C1CC1)C1=Cc2ccccc2OCC1 ZINC000882771959 1137833848 /nfs/dbraw/zinc/83/38/48/1137833848.db2.gz ALVKTJINUGBKRA-UHFFFAOYSA-N -1 0 348.449 3.586 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ncsc2C2CC2)c(Cl)cc1F ZINC000882772369 1137833864 /nfs/dbraw/zinc/83/38/64/1137833864.db2.gz SRAXENYMCKRJBS-UHFFFAOYSA-N -1 0 346.836 3.922 20 0 EHADRM CC(C)COC[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)c1ccco1 ZINC000101671337 1137871175 /nfs/dbraw/zinc/87/11/75/1137871175.db2.gz IXMXUIFPVAQWNN-CQSZACIVSA-N -1 0 337.803 3.782 20 0 EHADRM COc1ccc([C@@H](NC(=O)c2s[n-]c(=O)c2Cl)C(C)C)cc1 ZINC000282871485 1137891820 /nfs/dbraw/zinc/89/18/20/1137891820.db2.gz DRDUKXRFSRWKJZ-LBPRGKRZSA-N -1 0 340.832 3.638 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2C[C@@H](C)C[C@@H]2c2cccc(F)c2)s1 ZINC000331566081 1137912849 /nfs/dbraw/zinc/91/28/49/1137912849.db2.gz QGMSIWYIKRODBY-SMDDNHRTSA-N -1 0 348.447 3.667 20 0 EHADRM O=c1nc(CN2CCCCC[C@H]2c2ccco2)[n-]c2ccsc21 ZINC000121216156 1137956031 /nfs/dbraw/zinc/95/60/31/1137956031.db2.gz FCSMFEPOQQBVCF-ZDUSSCGKSA-N -1 0 329.425 3.695 20 0 EHADRM COc1cc(C)c([C@@H](C)NC(=O)c2ccc([O-])c(Cl)c2)cc1OC ZINC000047109932 1138042166 /nfs/dbraw/zinc/04/21/66/1138042166.db2.gz IZEJAEIYPCRHRS-LLVKDONJSA-N -1 0 349.814 3.862 20 0 EHADRM CCC[C@H](C)[C@H]1CCCN1C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000122787289 1138262296 /nfs/dbraw/zinc/26/22/96/1138262296.db2.gz OHDQOIHEUSZBEO-MAUKXSAKSA-N -1 0 341.455 3.515 20 0 EHADRM CCCOc1ccc(NC(=O)N[C@H](CCF)C(=O)[O-])cc1C(C)C ZINC000887382384 1138293885 /nfs/dbraw/zinc/29/38/85/1138293885.db2.gz GERGXQGHJIYGBS-CQSZACIVSA-N -1 0 340.395 3.533 20 0 EHADRM CCC[C@H](NC(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1)C(=O)[O-] ZINC000887382646 1138294565 /nfs/dbraw/zinc/29/45/65/1138294565.db2.gz NNDLSKXKDYAUMO-QWRGUYRKSA-N -1 0 336.285 3.634 20 0 EHADRM CC(C)(CNC(=O)c1ccc(C(F)(F)F)c(O)c1)C1CCOCC1 ZINC000887388817 1138298439 /nfs/dbraw/zinc/29/84/39/1138298439.db2.gz WIMHPXQSSYBPFZ-UHFFFAOYSA-N -1 0 345.361 3.594 20 0 EHADRM Cc1ccc([C@H]2CCCCN2C(=O)N=c2ccc(C3CC3)n[n-]2)cc1 ZINC000333606707 1138310386 /nfs/dbraw/zinc/31/03/86/1138310386.db2.gz WAQHOKIWYAARFY-GOSISDBHSA-N -1 0 336.439 3.843 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000128559501 1138392982 /nfs/dbraw/zinc/39/29/82/1138392982.db2.gz OQCDBTPESZVTTA-ZDUSSCGKSA-N -1 0 329.227 3.512 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc3ccc(Cl)cc3n2)c(C)o1 ZINC000337133941 1138475105 /nfs/dbraw/zinc/47/51/05/1138475105.db2.gz LICHCINRQVMCSD-UHFFFAOYSA-N -1 0 336.800 3.899 20 0 EHADRM O=S(=O)([N-]c1ccc(F)c(C2CC2)c1)c1cncc(Cl)c1 ZINC000337151193 1138480491 /nfs/dbraw/zinc/48/04/91/1138480491.db2.gz JOPOOOUNIXMNQZ-UHFFFAOYSA-N -1 0 326.780 3.552 20 0 EHADRM O=C(c1s[n-]c(=O)c1Cl)N(Cc1ccc(F)cc1F)C1CC1 ZINC000283003321 1138565666 /nfs/dbraw/zinc/56/56/66/1138565666.db2.gz OWCMAQPRUSPYRI-UHFFFAOYSA-N -1 0 344.770 3.585 20 0 EHADRM Cc1ccc(S[C@@H](C)C(=O)N(CC(=O)[O-])c2ccccc2)cc1 ZINC000337754826 1138659706 /nfs/dbraw/zinc/65/97/06/1138659706.db2.gz RUAFWRQTZHNDRL-AWEZNQCLSA-N -1 0 329.421 3.593 20 0 EHADRM Cc1ccc([C@H]2OCCC[C@H]2N=c2[n-]nc(C(F)F)s2)cc1 ZINC000337870012 1138686866 /nfs/dbraw/zinc/68/68/66/1138686866.db2.gz NETBUFMMTFQTFE-VXGBXAGGSA-N -1 0 325.384 3.538 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc([O-])c(Cl)c2)C[C@@H](c2ccsc2)O1 ZINC000150864218 1138987647 /nfs/dbraw/zinc/98/76/47/1138987647.db2.gz YUJSSTMYSDAEOV-BMIGLBTASA-N -1 0 337.828 3.709 20 0 EHADRM Cc1noc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)c1C ZINC000151389043 1139029654 /nfs/dbraw/zinc/02/96/54/1139029654.db2.gz WJXLAETTYVNTSA-UHFFFAOYSA-N -1 0 338.429 3.517 20 0 EHADRM CCCCc1nnc([N-]C(=O)c2c(F)c(F)cc(F)c2F)s1 ZINC000177750533 1139637962 /nfs/dbraw/zinc/63/79/62/1139637962.db2.gz MHGSEJZBVJRYRD-UHFFFAOYSA-N -1 0 333.310 3.689 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl ZINC000777376592 1139926838 /nfs/dbraw/zinc/92/68/38/1139926838.db2.gz LYGXPKDLVDPFTL-RWIWAZIYSA-N -1 0 349.736 3.742 20 0 EHADRM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000183070978 1140011042 /nfs/dbraw/zinc/01/10/42/1140011042.db2.gz NXUJOGIEKCMQKN-ZYHUDNBSSA-N -1 0 335.325 3.828 20 0 EHADRM C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1cccc(Cl)c1[O-] ZINC000191876878 1140491218 /nfs/dbraw/zinc/49/12/18/1140491218.db2.gz PANSRMNPQTYTIG-UWVGGRQHSA-N -1 0 342.823 3.533 20 0 EHADRM C[C@H](CN(C)C(=O)c1cc(F)c([O-])c(Cl)c1)c1nccs1 ZINC000192480300 1140535556 /nfs/dbraw/zinc/53/55/56/1140535556.db2.gz PBLHZZCOSNZNJL-MRVPVSSYSA-N -1 0 328.796 3.517 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cc(C)ccc2C)cnn1C1CCCC1 ZINC000194230307 1140602405 /nfs/dbraw/zinc/60/24/05/1140602405.db2.gz ATNNBJUSTFMXBW-UHFFFAOYSA-N -1 0 333.457 3.724 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2cccc(OC3CCCC3)c2)CC1 ZINC000194394351 1140607456 /nfs/dbraw/zinc/60/74/56/1140607456.db2.gz SJBZPHBKCZZZIW-UHFFFAOYSA-N -1 0 331.412 3.838 20 0 EHADRM CN(CCc1cccc2ccccc21)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000194405677 1140607875 /nfs/dbraw/zinc/60/78/75/1140607875.db2.gz YFSBDMBAINAGCZ-UHFFFAOYSA-N -1 0 339.435 3.732 20 0 EHADRM O=C([O-])C1CCC(C(=O)N[C@H]2CCCC[C@@H]2Cc2ccccc2)CC1 ZINC000194410002 1140608796 /nfs/dbraw/zinc/60/87/96/1140608796.db2.gz RULFFACSNWFVJM-GMNCBBECSA-N -1 0 343.467 3.795 20 0 EHADRM C[C@H]1SCCN(C(=O)C2CCC(C(=O)[O-])CC2)[C@H]1c1ccccc1 ZINC000194432466 1140609703 /nfs/dbraw/zinc/60/97/03/1140609703.db2.gz DKHKOPHSSLNUPD-LHUBUQBQSA-N -1 0 347.480 3.583 20 0 EHADRM O=C([O-])[C@H]1CC[C@@H](NC(=O)c2cc(-c3ccccc3)ccc2Cl)C1 ZINC000194453170 1140610979 /nfs/dbraw/zinc/61/09/79/1140610979.db2.gz ATHZSMNQAUOLPM-LSDHHAIUSA-N -1 0 343.810 3.990 20 0 EHADRM O=C([O-])CCCCCCNC(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000268936691 1141030064 /nfs/dbraw/zinc/03/00/64/1141030064.db2.gz OYVVZLGEEKSYFU-CQSZACIVSA-N -1 0 345.361 3.874 20 0 EHADRM CC(C)[C@@H](SCc1ccccc1)C(=O)NCCCCCC(=O)[O-] ZINC000268978329 1141038324 /nfs/dbraw/zinc/03/83/24/1141038324.db2.gz LADAAOQCILNBNW-QGZVFWFLSA-N -1 0 337.485 3.706 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N(CC1CCC1)CC(F)(F)F ZINC000274386290 1141512326 /nfs/dbraw/zinc/51/23/26/1141512326.db2.gz AEOZRUSSYVBBQS-UHFFFAOYSA-N -1 0 339.716 3.989 20 0 EHADRM Cc1nc(C=Cc2c(Cl)oc3ccccc32)[nH]c(=O)c1CC(=O)[O-] ZINC000349105278 1141639432 /nfs/dbraw/zinc/63/94/32/1141639432.db2.gz GPPULORMYGTMSJ-SREVYHEPSA-N -1 0 344.754 3.688 20 0 EHADRM COc1ccc(/C=C/c2ncc(C(=O)[O-])s2)c(Br)c1 ZINC000349112694 1141640767 /nfs/dbraw/zinc/64/07/67/1141640767.db2.gz PDGPWMLUFUBHBH-HWKANZROSA-N -1 0 340.198 3.783 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2C)c(Cl)c1 ZINC000055616297 214333695 /nfs/dbraw/zinc/33/36/95/214333695.db2.gz PUNIQGYHKDOYTA-UHFFFAOYSA-N -1 0 325.817 3.772 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])s1)Cc1ccccc1Br ZINC000103924301 219329465 /nfs/dbraw/zinc/32/94/65/219329465.db2.gz USEJZWROMJDNAH-UHFFFAOYSA-N -1 0 340.242 3.841 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)C1CCCCC1 ZINC000038036088 213194879 /nfs/dbraw/zinc/19/48/79/213194879.db2.gz WSEDWNZOAQVTSN-ZDUSSCGKSA-N -1 0 330.211 3.757 20 0 EHADRM O=C([O-])COc1ccc(-c2nc(-c3ccccc3Cl)no2)cc1 ZINC000034797876 212988916 /nfs/dbraw/zinc/98/89/16/212988916.db2.gz DZPGXFNAERVKQU-UHFFFAOYSA-N -1 0 330.727 3.520 20 0 EHADRM CC[C@H](C(=O)Nc1ccc(OCC(=O)[O-])cc1C)c1ccccc1 ZINC000021141607 212211498 /nfs/dbraw/zinc/21/14/98/212211498.db2.gz XUXOEFRHVNMDEH-INIZCTEOSA-N -1 0 327.380 3.591 20 0 EHADRM COc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCCC3)cc1 ZINC000020334838 212120298 /nfs/dbraw/zinc/12/02/98/212120298.db2.gz LEYSKTIRKRQREN-UHFFFAOYSA-N -1 0 345.420 3.976 20 0 EHADRM CCc1cccc(OCC(=O)Nc2sc(C)c(C)c2C(=O)[O-])c1 ZINC000020332813 212119476 /nfs/dbraw/zinc/11/94/76/212119476.db2.gz WUAZUZLTINMJEB-UHFFFAOYSA-N -1 0 333.409 3.643 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cc(Br)ccc2F)c1 ZINC000019471331 212030782 /nfs/dbraw/zinc/03/07/82/212030782.db2.gz PDSUBGVHXQJVKP-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM COc1cc(C)ccc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000078487728 217060775 /nfs/dbraw/zinc/06/07/75/217060775.db2.gz OSHZNRDYAXLSLL-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM O=C(Nc1cc(C2CCCCC2)[nH]n1)c1cc(=O)c2ccccc2[n-]1 ZINC000531172481 477898783 /nfs/dbraw/zinc/89/87/83/477898783.db2.gz CFDOEWAJJQTQBA-UHFFFAOYSA-N -1 0 336.395 3.551 20 0 EHADRM C[C@@H](NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)c1c(F)cccc1F ZINC000298816376 525130424 /nfs/dbraw/zinc/13/04/24/525130424.db2.gz LVYOPJCZKDGWOA-CWTRNNRKSA-N -1 0 347.361 3.575 20 0 EHADRM O=C([O-])CCCCCNC(=O)CCSc1ccc(Cl)cc1 ZINC000037406753 527580649 /nfs/dbraw/zinc/58/06/49/527580649.db2.gz DMVPWMVHIUBLLY-UHFFFAOYSA-N -1 0 329.849 3.583 20 0 EHADRM COc1ccc(-c2ocnc2C(=O)Nc2cc(F)ccc2F)cc1 ZINC000015782168 564074142 /nfs/dbraw/zinc/07/41/42/564074142.db2.gz LXSDFUBWXNOVTA-UHFFFAOYSA-N -1 0 330.290 3.881 20 0 EHADRM C[C@H]1C[C@H](c2cccnc2)N(C(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000192481394 564090199 /nfs/dbraw/zinc/09/01/99/564090199.db2.gz INYRTSFDJDOTSR-ZUZCIYMTSA-N -1 0 334.778 3.803 20 0 EHADRM Cc1cc2occ(CC(=O)N3CCC(C(=O)[O-])CC3)c2cc1C(C)C ZINC000013167264 596934570 /nfs/dbraw/zinc/93/45/70/596934570.db2.gz YLJMUJWGNYBSHT-UHFFFAOYSA-N -1 0 343.423 3.730 20 0 EHADRM C[C@H](NC(=O)Nc1ccccc1-c1nc2ccccc2s1)C(=O)[O-] ZINC000738976048 597076520 /nfs/dbraw/zinc/07/65/20/597076520.db2.gz CMZZTBSXCOWLCR-JTQLQIEISA-N -1 0 341.392 3.558 20 0 EHADRM CC[C@@H](C)Sc1ccc(NC(=O)CSCC(=O)[O-])c(C)c1 ZINC000573488232 597090847 /nfs/dbraw/zinc/09/08/47/597090847.db2.gz HYXLTBLJINSWLD-LLVKDONJSA-N -1 0 327.471 3.642 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000392114952 597118083 /nfs/dbraw/zinc/11/80/83/597118083.db2.gz VOLKGDGOULAZSI-SECBINFHSA-N -1 0 348.296 3.563 20 0 EHADRM CN(C(=O)Nc1cccc(CC(=O)[O-])c1)[C@H]1CCCc2ccccc21 ZINC000737926860 597195897 /nfs/dbraw/zinc/19/58/97/597195897.db2.gz CQKNDAJGVSSWHF-SFHVURJKSA-N -1 0 338.407 3.855 20 0 EHADRM CC(C)N(Cc1ccccc1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000303136537 597202425 /nfs/dbraw/zinc/20/24/25/597202425.db2.gz YCSOUMGOAATHQG-UHFFFAOYSA-N -1 0 326.396 3.756 20 0 EHADRM C[C@H](c1ncc(C(C)(C)C)o1)[S@](=O)Cc1ccc(C(=O)[O-])cc1 ZINC000818075840 597287445 /nfs/dbraw/zinc/28/74/45/597287445.db2.gz OYNNVWFZLCCYRQ-QVQLBTGDSA-N -1 0 335.425 3.680 20 0 EHADRM Cc1ccccc1CN(C(=O)NCc1ccc(C(=O)[O-])cc1)C1CC1 ZINC000738325263 597298765 /nfs/dbraw/zinc/29/87/65/597298765.db2.gz PUVSHUHOFWKXCK-UHFFFAOYSA-N -1 0 338.407 3.567 20 0 EHADRM CN(C(=O)Nc1ccccc1CC(=O)[O-])[C@H]1CCCc2ccccc21 ZINC000818368499 597321252 /nfs/dbraw/zinc/32/12/52/597321252.db2.gz AKOJZDWXXGLWDX-SFHVURJKSA-N -1 0 338.407 3.855 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1ccccc1CC(=O)[O-])c1ccccc1 ZINC000818132376 597323111 /nfs/dbraw/zinc/32/31/11/597323111.db2.gz VLMUBRLEPYMOFV-LJQANCHMSA-N -1 0 326.396 3.761 20 0 EHADRM CC(C)N(Cc1ccccc1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000302942737 597339129 /nfs/dbraw/zinc/33/91/29/597339129.db2.gz PLSYMIXSQGXLPE-UHFFFAOYSA-N -1 0 326.396 3.756 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000821515615 597349373 /nfs/dbraw/zinc/34/93/73/597349373.db2.gz KKRBGIYVGWFTSH-SECBINFHSA-N -1 0 349.736 3.686 20 0 EHADRM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000820228579 597651374 /nfs/dbraw/zinc/65/13/74/597651374.db2.gz PTVFIYSKYVSXMG-CMPLNLGQSA-N -1 0 344.333 3.508 20 0 EHADRM Cc1coc(-c2ccc(C)c(NC(=O)c3cccc(C(=O)[O-])c3)c2)n1 ZINC000821146748 598142968 /nfs/dbraw/zinc/14/29/68/598142968.db2.gz HJDKSHJETIUIER-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM CCN(Cc1ccc2ccccc2c1)C(=O)NCCCCC(=O)[O-] ZINC000666558249 598170470 /nfs/dbraw/zinc/17/04/70/598170470.db2.gz MMCZLHQFZLSOKH-UHFFFAOYSA-N -1 0 328.412 3.626 20 0 EHADRM CN(CC(F)(F)C(F)F)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000737408046 600261921 /nfs/dbraw/zinc/26/19/21/600261921.db2.gz JJAYLMNFPBXVDW-VIFPVBQESA-N -1 0 348.123 3.951 20 0 EHADRM CC(C)c1noc(OCc2csc(-c3ccc(C(=O)[O-])cc3)n2)n1 ZINC000736538378 599705003 /nfs/dbraw/zinc/70/50/03/599705003.db2.gz RPEFUBFCONYVGJ-UHFFFAOYSA-N -1 0 345.380 3.594 20 0 EHADRM C[C@H](SCC(=O)[O-])C(=O)Nc1ccccc1Sc1ccccc1 ZINC000736708017 599705477 /nfs/dbraw/zinc/70/54/77/599705477.db2.gz HQFOZRGHOGFKBB-LBPRGKRZSA-N -1 0 347.461 3.983 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)[O-])nn1 ZINC000736622170 599706063 /nfs/dbraw/zinc/70/60/63/599706063.db2.gz JEBMGIYGPAWACY-MRVPVSSYSA-N -1 0 326.183 3.525 20 0 EHADRM COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccccc1NC(=O)[O-] ZINC000737976090 599706462 /nfs/dbraw/zinc/70/64/62/599706462.db2.gz OHPSECUQSRCGEW-GFCCVEGCSA-N -1 0 328.368 3.585 20 0 EHADRM COc1c(C)cc(CN(C)c2nc(Cl)c(C(=O)[O-])s2)cc1C ZINC000737839222 599708718 /nfs/dbraw/zinc/70/87/18/599708718.db2.gz GHRPYRMBTXGIQW-UHFFFAOYSA-N -1 0 340.832 3.757 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)NCc2ccc(F)cc2F)ccc1F ZINC000740008570 599715479 /nfs/dbraw/zinc/71/54/79/599715479.db2.gz QZHQHWXJPTVCOL-UHFFFAOYSA-N -1 0 339.273 3.516 20 0 EHADRM CN(Cc1cccc(F)c1)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000737486058 599715690 /nfs/dbraw/zinc/71/56/90/599715690.db2.gz GOSOXVVQZXIQHI-UHFFFAOYSA-N -1 0 335.310 3.719 20 0 EHADRM C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)CCCNC(=O)[O-] ZINC000736724438 599718064 /nfs/dbraw/zinc/71/80/64/599718064.db2.gz MJGBOFQXRYGBDD-AWEZNQCLSA-N -1 0 346.452 3.886 20 0 EHADRM CN(CCCC(=O)Nc1ccccc1Oc1ccccc1)C(=O)[O-] ZINC000737430827 599726225 /nfs/dbraw/zinc/72/62/25/599726225.db2.gz KLJAJWURINPVGA-UHFFFAOYSA-N -1 0 328.368 3.807 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@H]1C[C@H]1c1cccc2ccccc21)c1ccccc1 ZINC000238025843 599729174 /nfs/dbraw/zinc/72/91/74/599729174.db2.gz REDMFYXIKZKPGR-SLFFLAALSA-N -1 0 345.398 3.885 20 0 EHADRM C[C@@H](NC(=O)NCCCC(=O)[O-])c1ccc(Oc2ccccc2)cc1 ZINC000262887912 599737297 /nfs/dbraw/zinc/73/72/97/599737297.db2.gz BUDZCYFVKTVMRI-CQSZACIVSA-N -1 0 342.395 3.704 20 0 EHADRM Cc1ccc(-c2csc(NC(=O)CCCN(C)C(=O)[O-])n2)cc1C ZINC000738487585 599739239 /nfs/dbraw/zinc/73/92/39/599739239.db2.gz BRLOMSGZVZNZQQ-UHFFFAOYSA-N -1 0 347.440 3.755 20 0 EHADRM O=C([O-])CCCCCNC(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000238153621 599741227 /nfs/dbraw/zinc/74/12/27/599741227.db2.gz OHSYMDFRSFHCKE-ROUUACIJSA-N -1 0 325.408 3.705 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000236972175 599745025 /nfs/dbraw/zinc/74/50/25/599745025.db2.gz LUJDMTRKHFKNBW-SWLSCSKDSA-N -1 0 331.437 3.746 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000236971564 599745530 /nfs/dbraw/zinc/74/55/30/599745530.db2.gz URSXLXNHDVCSQO-UGSOOPFHSA-N -1 0 343.398 3.824 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000486205543 599747956 /nfs/dbraw/zinc/74/79/56/599747956.db2.gz SEAHGOORYBQVOD-GFCCVEGCSA-N -1 0 329.396 3.611 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)[C@@]1(C)CCCc2ccccc21 ZINC000738963910 599752099 /nfs/dbraw/zinc/75/20/99/599752099.db2.gz NBCGCULXGIEMLL-IBGZPJMESA-N -1 0 328.364 3.624 20 0 EHADRM Cc1cc(NC(=O)c2sccc2OC(F)F)ccc1C(=O)[O-] ZINC000237749691 599753156 /nfs/dbraw/zinc/75/31/56/599753156.db2.gz BIWAVQZGADZIGB-UHFFFAOYSA-N -1 0 327.308 3.608 20 0 EHADRM C[C@@H](Nc1ccc(NC(=O)CCCNC(=O)[O-])cc1)c1ccccc1 ZINC000736673328 599755491 /nfs/dbraw/zinc/75/54/91/599755491.db2.gz VGPXEJGWDZJZAH-CQSZACIVSA-N -1 0 341.411 3.846 20 0 EHADRM CC[C@@H](NC(=O)Nc1cccc(OCC(=O)[O-])c1)C1CCCCC1 ZINC000391982301 599756023 /nfs/dbraw/zinc/75/60/23/599756023.db2.gz PIAXIINGSTZWNR-MRXNPFEDSA-N -1 0 334.416 3.630 20 0 EHADRM O=C([O-])CSCCC(=O)Nc1cc(F)ccc1Oc1ccccc1 ZINC000739850755 599757864 /nfs/dbraw/zinc/75/78/64/599757864.db2.gz ZCULEMXDBNYBFO-UHFFFAOYSA-N -1 0 349.383 3.764 20 0 EHADRM Cc1ccc(-c2nc(CN[C@H](C(=O)[O-])c3ccccc3)cs2)o1 ZINC000738491412 599760539 /nfs/dbraw/zinc/76/05/39/599760539.db2.gz WWVSAAOEJHVGEU-HNNXBMFYSA-N -1 0 328.393 3.627 20 0 EHADRM Cc1ccc(-c2nc(CN[C@@H](C(=O)[O-])c3ccccc3)cs2)o1 ZINC000738491413 599760558 /nfs/dbraw/zinc/76/05/58/599760558.db2.gz WWVSAAOEJHVGEU-OAHLLOKOSA-N -1 0 328.393 3.627 20 0 EHADRM COc1ccc([C@H](NC(=O)C[C@H](C)C2CCCCC2)C(=O)[O-])cc1 ZINC000561733814 599763814 /nfs/dbraw/zinc/76/38/14/599763814.db2.gz HAZIJPQZPVSWPP-UGSOOPFHSA-N -1 0 333.428 3.544 20 0 EHADRM Cc1nc(-c2ccco2)ccc1C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000683304805 599764789 /nfs/dbraw/zinc/76/47/89/599764789.db2.gz ZETOXRNCCABVMC-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000238033640 599765614 /nfs/dbraw/zinc/76/56/14/599765614.db2.gz KAYGXQOCFZOFCS-UHFFFAOYSA-N -1 0 337.297 3.975 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000262636654 599765905 /nfs/dbraw/zinc/76/59/05/599765905.db2.gz GHPMMKFOMRMOQC-MJVIPROJSA-N -1 0 342.222 3.563 20 0 EHADRM Cc1ccc(OCCC(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1C ZINC000237710338 599769747 /nfs/dbraw/zinc/76/97/47/599769747.db2.gz VZOWXQHKDNQXHH-UHFFFAOYSA-N -1 0 341.407 3.728 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2c[nH]cc2-c2ccccc2)cc1 ZINC000345993913 599769882 /nfs/dbraw/zinc/76/98/82/599769882.db2.gz KVTAZKHGFDIVCZ-UHFFFAOYSA-N -1 0 334.375 3.951 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000237622071 599770857 /nfs/dbraw/zinc/77/08/57/599770857.db2.gz VPEIDAZKMFSIDS-CQSZACIVSA-N -1 0 343.448 3.964 20 0 EHADRM Cc1nc2sc(-c3ccccc3)cc2c(NC[C@@H](C)C(=O)[O-])n1 ZINC000738865588 599784148 /nfs/dbraw/zinc/78/41/48/599784148.db2.gz XRWBTJUVZOCQHM-SNVBAGLBSA-N -1 0 327.409 3.799 20 0 EHADRM COc1ccc(Cl)cc1CN[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000738013825 599788445 /nfs/dbraw/zinc/78/84/45/599788445.db2.gz NGOSJOIWWLKZDZ-OAHLLOKOSA-N -1 0 341.741 3.542 20 0 EHADRM Cc1nc(-c2ccsc2)ccc1C(=O)OCc1ccoc1C(=O)[O-] ZINC000738839522 599791091 /nfs/dbraw/zinc/79/10/91/599791091.db2.gz OQMRTMQTXZFXTE-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000736860714 599792951 /nfs/dbraw/zinc/79/29/51/599792951.db2.gz CZRSSHQPECCVEY-LJQANCHMSA-N -1 0 342.395 3.597 20 0 EHADRM Cc1ccccc1C1(CNC(=O)NCCCCC(=O)[O-])CCCCC1 ZINC000738760357 599793168 /nfs/dbraw/zinc/79/31/68/599793168.db2.gz IVSBEWDYFMDSCK-UHFFFAOYSA-N -1 0 346.471 3.751 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CN1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000738963468 599796190 /nfs/dbraw/zinc/79/61/90/599796190.db2.gz JRLIRMIZERVWQU-UHFFFAOYSA-N -1 0 344.798 3.979 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2F)cc1 ZINC000238054609 599797566 /nfs/dbraw/zinc/79/75/66/599797566.db2.gz BBODJRJXUOOTCO-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM CC/C=C(\C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000736948192 599799169 /nfs/dbraw/zinc/79/91/69/599799169.db2.gz JVWWJTQUSZXCOT-RUDMXATFSA-N -1 0 331.290 3.621 20 0 EHADRM CCCCc1ccc(C(=O)NCc2ccc(OC)c(C(=O)[O-])c2)cc1 ZINC000642224469 599800369 /nfs/dbraw/zinc/80/03/69/599800369.db2.gz SPXNPVUXBWLZNQ-UHFFFAOYSA-N -1 0 341.407 3.666 20 0 EHADRM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccsc1C(=O)[O-] ZINC000314187023 599802800 /nfs/dbraw/zinc/80/28/00/599802800.db2.gz FPBUMYOBTCUDMT-VIFPVBQESA-N -1 0 339.800 3.814 20 0 EHADRM O=C([O-])c1coc(COc2ccc(C(=O)c3ccc(F)cc3)cc2)c1 ZINC000740269707 599803144 /nfs/dbraw/zinc/80/31/44/599803144.db2.gz VTKZBGGRIFGVHF-UHFFFAOYSA-N -1 0 340.306 3.927 20 0 EHADRM O=C([O-])c1coc(CSc2n[nH]c(-c3ccc(Cl)cc3)n2)c1 ZINC000740269270 599803229 /nfs/dbraw/zinc/80/32/29/599803229.db2.gz MGURYQYPWQJLDN-UHFFFAOYSA-N -1 0 335.772 3.709 20 0 EHADRM Cc1cc2nnc(SCc3cc(C(=O)[O-])co3)n2c2ccccc12 ZINC000738487490 599803262 /nfs/dbraw/zinc/80/32/62/599803262.db2.gz XAHFOTTUGJXLFR-UHFFFAOYSA-N -1 0 339.376 3.774 20 0 EHADRM O=C([O-])c1coc(CSc2nnc(Nc3ccccc3)s2)c1 ZINC000740269621 599803376 /nfs/dbraw/zinc/80/33/76/599803376.db2.gz PWMRKTAFCWABHO-UHFFFAOYSA-N -1 0 333.394 3.865 20 0 EHADRM O=C([O-])C1(NC(=O)C[C@H]2CCCc3ccccc32)CCCCCC1 ZINC000739223043 599813816 /nfs/dbraw/zinc/81/38/16/599813816.db2.gz MYQAJJZWZOCKTQ-MRXNPFEDSA-N -1 0 329.440 3.790 20 0 EHADRM CCC[C@H](NC(=O)Nc1ccc(N(C)C(=O)[O-])cc1)c1ccccn1 ZINC000736972570 599820120 /nfs/dbraw/zinc/82/01/20/599820120.db2.gz HJOWCOAPAALQSA-INIZCTEOSA-N -1 0 342.399 3.859 20 0 EHADRM CCN(CCC(F)(F)F)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000737100624 599821237 /nfs/dbraw/zinc/82/12/37/599821237.db2.gz BWAISXJVKDJNQO-UHFFFAOYSA-N -1 0 337.273 3.722 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1nc(C)cs1 ZINC000736913748 599822469 /nfs/dbraw/zinc/82/24/69/599822469.db2.gz HDZVIOWJLJBLTB-AWEZNQCLSA-N -1 0 347.440 3.742 20 0 EHADRM CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1ccc(OCC2CCCCC2)cc1 ZINC000736377044 599822806 /nfs/dbraw/zinc/82/28/06/599822806.db2.gz RLAJCPKZZACTMO-QGZVFWFLSA-N -1 0 348.443 3.876 20 0 EHADRM COc1cccc([C@@H](C)NC(=O)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC000738093060 599825209 /nfs/dbraw/zinc/82/52/09/599825209.db2.gz URLSOOHHXJRCAZ-CYBMUJFWSA-N -1 0 342.395 3.595 20 0 EHADRM O=C([O-])CN(Cc1ccc(F)c(F)c1)C(=O)CCC1CCCCC1 ZINC000739796580 599831619 /nfs/dbraw/zinc/83/16/19/599831619.db2.gz BVVMITYYLVZDMC-UHFFFAOYSA-N -1 0 339.382 3.739 20 0 EHADRM CN(CCCC(=O)Oc1c(Cl)cc(Cl)cc1Cl)C(=O)[O-] ZINC000737438522 599839073 /nfs/dbraw/zinc/83/90/73/599839073.db2.gz UCEJMDDXGMPMBR-UHFFFAOYSA-N -1 0 340.590 3.942 20 0 EHADRM CC(C)(C)n1nc(C(=O)Nc2cccc(F)c2C(=O)[O-])cc1C1CC1 ZINC000736306901 599843723 /nfs/dbraw/zinc/84/37/23/599843723.db2.gz WSDJNFZTWPLKSC-UHFFFAOYSA-N -1 0 345.374 3.605 20 0 EHADRM CCOCCC(=O)Nc1ccc(Oc2ccccc2)cc1C(=O)[O-] ZINC000737164423 599844426 /nfs/dbraw/zinc/84/44/26/599844426.db2.gz PESGVIKNTHPFQP-UHFFFAOYSA-N -1 0 329.352 3.542 20 0 EHADRM O=C(CC1CCC(c2ccccc2)CC1)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000739219930 599847724 /nfs/dbraw/zinc/84/77/24/599847724.db2.gz YYQFJEVHGOXVMU-VJFUWPCTSA-N -1 0 344.455 3.609 20 0 EHADRM CSc1cc(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])ccn1 ZINC000738195580 599849633 /nfs/dbraw/zinc/84/96/33/599849633.db2.gz LOXQCURGAFZDCC-UHFFFAOYSA-N -1 0 338.388 3.907 20 0 EHADRM Cc1ccc2c(CNc3cccc(F)c3C(=O)[O-])cc(=O)oc2c1C ZINC000738666809 599856120 /nfs/dbraw/zinc/85/61/20/599856120.db2.gz YATABQMFQYBEAO-UHFFFAOYSA-N -1 0 341.338 3.859 20 0 EHADRM CC(C)c1ccccc1NC(=O)CNc1cccc(F)c1C(=O)[O-] ZINC000736522992 599856546 /nfs/dbraw/zinc/85/65/46/599856546.db2.gz MKLQVYJVKIBPCL-UHFFFAOYSA-N -1 0 330.359 3.698 20 0 EHADRM Cc1ccc(NC(=O)CNc2ccc(CCC(=O)[O-])cc2)c(Cl)c1 ZINC000738627024 599857645 /nfs/dbraw/zinc/85/76/45/599857645.db2.gz YGXUKJWETJLHTA-UHFFFAOYSA-N -1 0 346.814 3.716 20 0 EHADRM Cc1cc(C)c(NC(=O)CNc2ccc(CCC(=O)[O-])cc2)c(C)c1 ZINC000738359997 599857826 /nfs/dbraw/zinc/85/78/26/599857826.db2.gz ZVSLMYJHOGRPPR-UHFFFAOYSA-N -1 0 340.423 3.680 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)c1ccc(F)cc1F ZINC000739436581 599872770 /nfs/dbraw/zinc/87/27/70/599872770.db2.gz SYLOQZOJXTWZOG-UHFFFAOYSA-N -1 0 347.342 3.808 20 0 EHADRM Cc1sc(NC(=O)N(Cc2ccncc2)C2CC2)c(C(=O)[O-])c1C ZINC000392215847 599880875 /nfs/dbraw/zinc/88/08/75/599880875.db2.gz OZFHHWNSWYBIJS-UHFFFAOYSA-N -1 0 345.424 3.655 20 0 EHADRM Cc1cccc(COc2ccc(NC(=O)CCC(=O)[O-])c(C)c2)c1 ZINC000553725349 599885613 /nfs/dbraw/zinc/88/56/13/599885613.db2.gz SVKXHLWZRCLCAN-UHFFFAOYSA-N -1 0 327.380 3.686 20 0 EHADRM CCCc1nc(CN(Cc2ccccc2)C[C@@H](C)C(=O)[O-])cs1 ZINC000565427944 599887714 /nfs/dbraw/zinc/88/77/14/599887714.db2.gz UNFDMFYNZJFCMF-CQSZACIVSA-N -1 0 332.469 3.819 20 0 EHADRM O=C([O-])CCCCCNC(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000739668313 599888660 /nfs/dbraw/zinc/88/86/60/599888660.db2.gz PHAUPHISBFTKRJ-ZWKOTPCHSA-N -1 0 346.471 3.732 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000736375908 599893151 /nfs/dbraw/zinc/89/31/51/599893151.db2.gz LQZJSORIUGGXRN-INIZCTEOSA-N -1 0 326.352 3.817 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)Oc1ccc(C(=O)[O-])cc1OC ZINC000737864229 599895482 /nfs/dbraw/zinc/89/54/82/599895482.db2.gz FYPDVMPETUAFPA-GFCCVEGCSA-N -1 0 344.363 3.501 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000237183937 599902827 /nfs/dbraw/zinc/90/28/27/599902827.db2.gz MXSIPSCVLYLMPA-AWEZNQCLSA-N -1 0 341.407 3.546 20 0 EHADRM CC[C@@H](NC(=O)c1cccc(NC(=O)[O-])c1)c1ccccc1OC ZINC000736920658 599903784 /nfs/dbraw/zinc/90/37/84/599903784.db2.gz XWYXPRYXXFIIPU-OAHLLOKOSA-N -1 0 328.368 3.666 20 0 EHADRM CCN(c1cc(C)ccc1C)S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000477421331 599907237 /nfs/dbraw/zinc/90/72/37/599907237.db2.gz FVJNBDVJFPOIGT-UHFFFAOYSA-N -1 0 347.436 3.525 20 0 EHADRM O=C([O-])c1cnc(/C=C/c2cnn(Cc3ccccc3Cl)c2)s1 ZINC000588011009 599907963 /nfs/dbraw/zinc/90/79/63/599907963.db2.gz NPBSWHBWTGQALM-AATRIKPKSA-N -1 0 345.811 3.910 20 0 EHADRM CC(C)COc1cccc(CNC(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000736447539 599909512 /nfs/dbraw/zinc/90/95/12/599909512.db2.gz COMDLZZYWKXHOY-UHFFFAOYSA-N -1 0 342.395 3.741 20 0 EHADRM Cc1ccc(C(C)(C)C(=O)Nc2ccc(OCCC(=O)[O-])cc2)cc1 ZINC000237634273 599909819 /nfs/dbraw/zinc/90/98/19/599909819.db2.gz FSDKYFSKPQYWCI-UHFFFAOYSA-N -1 0 341.407 3.765 20 0 EHADRM Cc1cccc(C)c1OC[C@H](C)NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000738687925 599909842 /nfs/dbraw/zinc/90/98/42/599909842.db2.gz GFNITSWNBVFLBD-AWEZNQCLSA-N -1 0 342.395 3.591 20 0 EHADRM CCC(CC)(C(=O)N(C)CCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000236864599 599912650 /nfs/dbraw/zinc/91/26/50/599912650.db2.gz MWUQMJZCGPZBRQ-UHFFFAOYSA-N -1 0 325.836 3.721 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C[C@@H](C)c1ccccc1F ZINC000237472385 599913501 /nfs/dbraw/zinc/91/35/01/599913501.db2.gz YUCXOOXYNATJDX-GFCCVEGCSA-N -1 0 345.370 3.730 20 0 EHADRM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1 ZINC000485671436 599913688 /nfs/dbraw/zinc/91/36/88/599913688.db2.gz YHBRMKACCMIHAW-KGLIPLIRSA-N -1 0 333.746 3.805 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)C=C(C2CC2)C2CC2)c1 ZINC000739873196 599920843 /nfs/dbraw/zinc/92/08/43/599920843.db2.gz NAUKJVYPCRSTCM-UHFFFAOYSA-N -1 0 331.437 3.689 20 0 EHADRM CCc1ccc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)cc1 ZINC000237146328 599921966 /nfs/dbraw/zinc/92/19/66/599921966.db2.gz PMENCKYQRAJWAP-UHFFFAOYSA-N -1 0 329.421 3.819 20 0 EHADRM Cc1ccc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)cc1C ZINC000237626613 599922011 /nfs/dbraw/zinc/92/20/11/599922011.db2.gz IMALJYPWASWMPY-UHFFFAOYSA-N -1 0 329.421 3.874 20 0 EHADRM C[C@H](NC(=S)N[C@H](CCC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000736660679 599926693 /nfs/dbraw/zinc/92/66/93/599926693.db2.gz NVWKVSLQNXITRH-WMLDXEAASA-N -1 0 342.464 3.818 20 0 EHADRM CC(C)(C)c1nc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)cs1 ZINC000362345340 599930711 /nfs/dbraw/zinc/93/07/11/599930711.db2.gz FAZKJKHMVXNMFX-CYBMUJFWSA-N -1 0 346.452 3.777 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)c1ccc2ncccc2c1)c1ccccc1 ZINC000171406559 599931076 /nfs/dbraw/zinc/93/10/76/599931076.db2.gz UJBNOSHJAWBIIN-SFHVURJKSA-N -1 0 334.375 3.571 20 0 EHADRM CCc1nc2cc(NC(=O)c3cccc(NC(=O)[O-])c3)ccc2o1 ZINC000737285303 599931638 /nfs/dbraw/zinc/93/16/38/599931638.db2.gz ZLXAOWZOHXOWJF-UHFFFAOYSA-N -1 0 325.324 3.732 20 0 EHADRM Cn1c(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)cc2ccccc21 ZINC000139279563 599932110 /nfs/dbraw/zinc/93/21/10/599932110.db2.gz LFCVXGLDHQLDCD-MRXNPFEDSA-N -1 0 336.391 3.514 20 0 EHADRM CCCc1nc(C)c(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)s1 ZINC000178102247 599933090 /nfs/dbraw/zinc/93/30/90/599933090.db2.gz WKPQUYTYPSJZIK-CQSZACIVSA-N -1 0 346.452 3.740 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)CSc1ccc(F)cc1)c1ccccc1 ZINC000324257831 599936235 /nfs/dbraw/zinc/93/62/35/599936235.db2.gz UZNVJBFDSYFCIK-MRXNPFEDSA-N -1 0 347.411 3.640 20 0 EHADRM C[C@H](CC(=O)N[C@@H](CCC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000139303940 599936581 /nfs/dbraw/zinc/93/65/81/599936581.db2.gz ZTCXFWYCSPLTKO-QAPCUYQASA-N -1 0 325.408 3.903 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)c1cc2c(s1)CCC2)c1ccccc1 ZINC000193450689 599936866 /nfs/dbraw/zinc/93/68/66/599936866.db2.gz QQYVNYZQDJRVBE-AWEZNQCLSA-N -1 0 329.421 3.573 20 0 EHADRM Cc1cc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)c2ccccc2n1 ZINC000193451411 599936999 /nfs/dbraw/zinc/93/69/99/599936999.db2.gz YNGAMLDYISDQPI-GOSISDBHSA-N -1 0 348.402 3.879 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)c1ccc(F)cc1Cl)c1ccccc1 ZINC000320245049 599937778 /nfs/dbraw/zinc/93/77/78/599937778.db2.gz XBFZXSXRHNVPAC-HNNXBMFYSA-N -1 0 335.762 3.815 20 0 EHADRM CCc1ncc(C(=O)OCc2c3ccccc3sc2C(=O)[O-])s1 ZINC000737285271 599945328 /nfs/dbraw/zinc/94/53/28/599945328.db2.gz QBYWPWXBKVOBHK-UHFFFAOYSA-N -1 0 347.417 3.975 20 0 EHADRM Cc1cc(NC(=O)c2sccc2-n2cccc2)ccc1C(=O)[O-] ZINC000321478734 599949637 /nfs/dbraw/zinc/94/96/37/599949637.db2.gz QWLSUPKMZFYSQQ-UHFFFAOYSA-N -1 0 326.377 3.798 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccccc1 ZINC000139376534 599953014 /nfs/dbraw/zinc/95/30/14/599953014.db2.gz ZHCAMBLCSRXKDN-OAHLLOKOSA-N -1 0 340.354 3.643 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000738588422 599955705 /nfs/dbraw/zinc/95/57/05/599955705.db2.gz FMWGFTUDSWITCE-CQSZACIVSA-N -1 0 326.396 3.754 20 0 EHADRM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263360891 599958598 /nfs/dbraw/zinc/95/85/98/599958598.db2.gz UCIUWQKUXRHQNW-NNGSBXSVSA-N -1 0 344.455 3.640 20 0 EHADRM C[C@H](NC(=O)CCSCC(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000736640884 599961921 /nfs/dbraw/zinc/96/19/21/599961921.db2.gz OIZBTQWNFQGDHP-AWEZNQCLSA-N -1 0 343.448 3.739 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)c1ccccc1OCC(C)C ZINC000737869158 599970350 /nfs/dbraw/zinc/97/03/50/599970350.db2.gz YAFWYYDIRHYJRB-UHFFFAOYSA-N -1 0 344.363 3.647 20 0 EHADRM O=C([O-])[C@H](NC(=O)CCC1CCCCC1)c1cc(F)ccc1F ZINC000739234521 599978766 /nfs/dbraw/zinc/97/87/66/599978766.db2.gz GMWDSNANUWBIHX-MRXNPFEDSA-N -1 0 325.355 3.567 20 0 EHADRM Cc1c(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)cccc1C(=O)[O-] ZINC000678976552 599995535 /nfs/dbraw/zinc/99/55/35/599995535.db2.gz ZIIRRVHWOLUQMH-STQMWFEESA-N -1 0 331.318 3.714 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)ccc1F ZINC000740082185 599996130 /nfs/dbraw/zinc/99/61/30/599996130.db2.gz WLSBITUOTUSWDJ-GHMZBOCLSA-N -1 0 335.281 3.544 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2oc3ccccc3c2C)c1 ZINC000325902889 600000838 /nfs/dbraw/zinc/00/08/38/600000838.db2.gz XHXFIJDIKVTETR-UHFFFAOYSA-N -1 0 325.320 3.700 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1ccccc1Nc1ccccc1 ZINC000238158658 600002074 /nfs/dbraw/zinc/00/20/74/600002074.db2.gz OLAARYFSVJEBHB-UHFFFAOYSA-N -1 0 326.396 3.805 20 0 EHADRM Cc1c(NC(=O)NCC(C)(C)c2ccc(F)cc2)cccc1C(=O)[O-] ZINC000738305381 600007777 /nfs/dbraw/zinc/00/77/77/600007777.db2.gz ZIQRVUHXMWLYLA-UHFFFAOYSA-N -1 0 344.386 3.932 20 0 EHADRM C[C@H](NC(=O)NC1CCC(C(=O)[O-])CC1)c1ccc2ccccc2c1 ZINC000263015969 600012787 /nfs/dbraw/zinc/01/27/87/600012787.db2.gz OBMLAGYOPNMSMF-UQHVZDHRSA-N -1 0 340.423 3.843 20 0 EHADRM Cc1cc(NC(=O)NCCOc2ccc(Cl)cc2)ccc1C(=O)[O-] ZINC000738439381 600013348 /nfs/dbraw/zinc/01/33/48/600013348.db2.gz GITNILOJVMXBOW-UHFFFAOYSA-N -1 0 348.786 3.547 20 0 EHADRM Cc1ccc(OCCCNC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000738644153 600013792 /nfs/dbraw/zinc/01/37/92/600013792.db2.gz VLRHRYWNDPZORU-UHFFFAOYSA-N -1 0 342.395 3.592 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)N[C@@H](c1cccs1)C1CC1)C2 ZINC000740201848 600014531 /nfs/dbraw/zinc/01/45/31/600014531.db2.gz FLJYTCOLTKBRGB-MRXNPFEDSA-N -1 0 342.420 3.623 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)NCC1CCCCCCC1)C2 ZINC000740202682 600019466 /nfs/dbraw/zinc/01/94/66/600019466.db2.gz LSHFNJJMWQHTCS-UHFFFAOYSA-N -1 0 330.428 3.771 20 0 EHADRM CCCC1CCC(NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)CC1 ZINC000326491013 600019739 /nfs/dbraw/zinc/01/97/39/600019739.db2.gz XSAWLWGIJNSIMB-UHFFFAOYSA-N -1 0 330.428 3.769 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)c2cccc(Cl)c2Cl)c1 ZINC000739889983 600025208 /nfs/dbraw/zinc/02/52/08/600025208.db2.gz VDXQRDVAVQCTBW-UHFFFAOYSA-N -1 0 325.147 3.840 20 0 EHADRM Cc1cccc2sc(NC(=O)CCc3ccc(C(=O)[O-])cc3)nc21 ZINC000738749951 600034449 /nfs/dbraw/zinc/03/44/49/600034449.db2.gz MPLZPLBZIUTBHH-UHFFFAOYSA-N -1 0 340.404 3.874 20 0 EHADRM CN(C)c1ccc(Cl)cc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000737375006 600035413 /nfs/dbraw/zinc/03/54/13/600035413.db2.gz FITQDCUYMPWSPP-UHFFFAOYSA-N -1 0 346.814 3.676 20 0 EHADRM CC(C)COc1ccc(CC(=O)Nc2ccsc2C(=O)[O-])cc1 ZINC000736445757 600035550 /nfs/dbraw/zinc/03/55/50/600035550.db2.gz IHGHDCXVMSFYMI-UHFFFAOYSA-N -1 0 333.409 3.662 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N[C@@H](c2cccs2)C2CC2)cc1 ZINC000262620930 600035609 /nfs/dbraw/zinc/03/56/09/600035609.db2.gz MRUAXDODSUCQQZ-QGZVFWFLSA-N -1 0 329.421 3.646 20 0 EHADRM CCN(C(=O)CCc1ccc(C(=O)[O-])cc1)c1cccc(C)c1C ZINC000737053401 600037903 /nfs/dbraw/zinc/03/79/03/600037903.db2.gz NXGFCPABYQLZFX-UHFFFAOYSA-N -1 0 325.408 3.987 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1cc(Cl)sc1Cl)C2 ZINC000236474099 600042851 /nfs/dbraw/zinc/04/28/51/600042851.db2.gz GCKMZHRILSPHRR-UHFFFAOYSA-N -1 0 342.203 3.909 20 0 EHADRM COc1cc2ccccc2cc1C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000737906385 600043913 /nfs/dbraw/zinc/04/39/13/600043913.db2.gz DMSCFRDVFQXYCU-UHFFFAOYSA-N -1 0 347.370 3.703 20 0 EHADRM O=C([O-])C1CCC(NC(=O)c2sccc2-c2ccc(F)cc2)CC1 ZINC000739382993 600050527 /nfs/dbraw/zinc/05/05/27/600050527.db2.gz MYJBAMMSFLNTLE-UHFFFAOYSA-N -1 0 347.411 3.927 20 0 EHADRM O=C([O-])C1CCC(NC(=O)CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000262673084 600052270 /nfs/dbraw/zinc/05/22/70/600052270.db2.gz RZHUMRUMNRVAFR-UHFFFAOYSA-N -1 0 344.238 3.686 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)OCc2cc3c(cc2Cl)OCO3)c1 ZINC000740039627 600056940 /nfs/dbraw/zinc/05/69/40/600056940.db2.gz OKIARXDGBPRQPG-UHFFFAOYSA-N -1 0 349.726 3.516 20 0 EHADRM CCOc1ccc(Oc2ccccc2NC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000262586754 600059673 /nfs/dbraw/zinc/05/96/73/600059673.db2.gz GWNXYCXYXZPYKS-GJZGRUSLSA-N -1 0 341.363 3.537 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccccc1-c1nc2ccccc2s1 ZINC000739552731 600061756 /nfs/dbraw/zinc/06/17/56/600061756.db2.gz KDXSMJKUZFUQGA-NWDGAFQWSA-N -1 0 338.388 3.623 20 0 EHADRM CC[C@H](CC(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21)c1ccccc1 ZINC000358611784 600062133 /nfs/dbraw/zinc/06/21/33/600062133.db2.gz NYRYEROBGZGDKA-BGTYHANMSA-N -1 0 329.440 3.815 20 0 EHADRM Cc1ccccc1CCC(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000485759899 600062743 /nfs/dbraw/zinc/06/27/43/600062743.db2.gz ZADOGOVYTCSPOC-QGZVFWFLSA-N -1 0 339.435 3.677 20 0 EHADRM Cc1ccccc1-c1nc(C(=O)NC2(C(=O)[O-])CCCCC2)cs1 ZINC000237702468 600065628 /nfs/dbraw/zinc/06/56/28/600065628.db2.gz QWGNEYJYAUKJOB-UHFFFAOYSA-N -1 0 344.436 3.636 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)Cc2cccs2)c1 ZINC000238212638 600067375 /nfs/dbraw/zinc/06/73/75/600067375.db2.gz KRFOPVCXZBDAKM-UHFFFAOYSA-N -1 0 335.450 3.637 20 0 EHADRM Cc1ccc(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)c(C)n1 ZINC000738519672 600069076 /nfs/dbraw/zinc/06/90/76/600069076.db2.gz JJHJZIPONVKRTJ-UHFFFAOYSA-N -1 0 344.436 3.659 20 0 EHADRM CCCN(CC)c1ccc(C(=O)Nc2ccc(C)cc2C(=O)[O-])cn1 ZINC000737019487 600072773 /nfs/dbraw/zinc/07/27/73/600072773.db2.gz ILGUZJVIQYFXHK-UHFFFAOYSA-N -1 0 341.411 3.577 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccccc1Oc1ccc(Cl)cc1 ZINC000739552679 600077272 /nfs/dbraw/zinc/07/72/72/600077272.db2.gz JQNMENZZYFMYCU-QWHCGFSZSA-N -1 0 331.755 3.792 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)CSc2ccc(F)cc2)ccc1F ZINC000740005761 600091207 /nfs/dbraw/zinc/09/12/07/600091207.db2.gz PZJFRTHZUFVCQK-UHFFFAOYSA-N -1 0 338.335 3.786 20 0 EHADRM O=C([O-])[C@@H](c1ccc(F)cc1)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000580652257 600101960 /nfs/dbraw/zinc/10/19/60/600101960.db2.gz DVHCORPPEQYNJJ-DLBZAZTESA-N -1 0 349.789 3.678 20 0 EHADRM C[C@H](OC(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)C(=O)[O-] ZINC000736690030 600110640 /nfs/dbraw/zinc/11/06/40/600110640.db2.gz LNHVLKGDSAYXCX-QMMMGPOBSA-N -1 0 342.319 3.646 20 0 EHADRM CC(C)c1ccccc1OCC(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000736523905 600111500 /nfs/dbraw/zinc/11/15/00/600111500.db2.gz UXDURNJOFJINDD-UHFFFAOYSA-N -1 0 346.354 3.770 20 0 EHADRM C[C@@H]1c2ccccc2CCN1C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000736840901 600112550 /nfs/dbraw/zinc/11/25/50/600112550.db2.gz UHZHOEKZTAWPAB-SNVBAGLBSA-N -1 0 346.333 3.814 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)/C=C\c1ccc(Cl)s1 ZINC000739214545 600113203 /nfs/dbraw/zinc/11/32/03/600113203.db2.gz FJTYVMDXYGHTQS-XQRVVYSFSA-N -1 0 340.759 3.995 20 0 EHADRM C[C@@H]1c2ccccc2CCN1C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000736841121 600113762 /nfs/dbraw/zinc/11/37/62/600113762.db2.gz WXVMGLJDYACNFT-GFCCVEGCSA-N -1 0 325.368 3.928 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000736707266 600114551 /nfs/dbraw/zinc/11/45/51/600114551.db2.gz FIGJKOAPXQDYAE-LBPRGKRZSA-N -1 0 348.395 3.889 20 0 EHADRM CC(C)[C@H]1CCC[C@@H](NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000736395461 600120657 /nfs/dbraw/zinc/12/06/57/600120657.db2.gz MJUYGIWTGKCFCV-WDEREUQCSA-N -1 0 340.370 3.999 20 0 EHADRM CC(C)N(Cc1ccco1)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000736471675 600120812 /nfs/dbraw/zinc/12/08/12/600120812.db2.gz LNLUZTPKNJAWII-UHFFFAOYSA-N -1 0 338.310 3.699 20 0 EHADRM Cc1oc(-c2ccccc2)nc1C(=O)Oc1ccc(C)cc1C(=O)[O-] ZINC000738639430 600133768 /nfs/dbraw/zinc/13/37/68/600133768.db2.gz RADAYASEXKLYGS-UHFFFAOYSA-N -1 0 337.331 3.876 20 0 EHADRM CSc1ccsc1C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000738207491 600142116 /nfs/dbraw/zinc/14/21/16/600142116.db2.gz DROASRXBEMPAGG-UHFFFAOYSA-N -1 0 329.349 3.699 20 0 EHADRM CC(C)c1cccc(O[C@@H](C(=O)N[C@@H](C)C(=O)[O-])c2ccccc2)c1 ZINC000236797940 600142498 /nfs/dbraw/zinc/14/24/98/600142498.db2.gz IBUDIONEONRDRP-KBXCAEBGSA-N -1 0 341.407 3.519 20 0 EHADRM O=C([O-])c1ccc(OC(=O)c2sccc2SC(F)F)cc1 ZINC000740160221 600143653 /nfs/dbraw/zinc/14/36/53/600143653.db2.gz GWXMPQTZLHMYOT-UHFFFAOYSA-N -1 0 330.333 3.980 20 0 EHADRM Cc1oc(COC(=O)CCOc2cc(C)cc(C)c2C)cc1C(=O)[O-] ZINC000738356052 600143899 /nfs/dbraw/zinc/14/38/99/600143899.db2.gz QFPBDTJFIGHFJY-UHFFFAOYSA-N -1 0 346.379 3.724 20 0 EHADRM Cc1cc(C)c(C)c(OCCC(=O)Nc2ccc(CC(=O)[O-])cc2)c1 ZINC000738354390 600144059 /nfs/dbraw/zinc/14/40/59/600144059.db2.gz APDDDFLTXDROGP-UHFFFAOYSA-N -1 0 341.407 3.647 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2sccc2SC(F)F)o1 ZINC000740132165 600145897 /nfs/dbraw/zinc/14/58/97/600145897.db2.gz DEWLVSITSHHJFM-UHFFFAOYSA-N -1 0 334.321 3.711 20 0 EHADRM O=C([O-])c1coc(C(=O)CSc2cccc(Br)c2)c1 ZINC000740257457 600148874 /nfs/dbraw/zinc/14/88/74/600148874.db2.gz IRSKTYADTWCQCB-UHFFFAOYSA-N -1 0 341.182 3.715 20 0 EHADRM Cc1ccc([C@H](CNC(=O)c2ccc(C(C)C)cc2)C(=O)[O-])cc1 ZINC000539954305 600163077 /nfs/dbraw/zinc/16/30/77/600163077.db2.gz DOPRXCFUXTVJRE-SFHVURJKSA-N -1 0 325.408 3.717 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)c2ccc(C(C)(C)C)cc2)C(=O)[O-])cc1 ZINC000486374681 600164361 /nfs/dbraw/zinc/16/43/61/600164361.db2.gz CDJUBFAIMRSUBA-GOSISDBHSA-N -1 0 339.435 3.891 20 0 EHADRM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)CCC1CCCC1 ZINC000238113111 600166741 /nfs/dbraw/zinc/16/67/41/600166741.db2.gz DJGBBKWAQPVPMO-UHFFFAOYSA-N -1 0 339.382 3.739 20 0 EHADRM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)CC1CCCCC1 ZINC000238112736 600166788 /nfs/dbraw/zinc/16/67/88/600166788.db2.gz GTEBPDRGCXNCGM-UHFFFAOYSA-N -1 0 339.382 3.739 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)OCc1ccc(C(=O)[O-])cc1 ZINC000738125429 600175795 /nfs/dbraw/zinc/17/57/95/600175795.db2.gz BRCGNWXTTXHOKE-CQSZACIVSA-N -1 0 342.391 3.706 20 0 EHADRM Cc1ccc([C@H](CNC(=O)Nc2cc(C)ccc2C)C(=O)[O-])cc1 ZINC000738558191 600176503 /nfs/dbraw/zinc/17/65/03/600176503.db2.gz BWVGPAZGYFANLE-INIZCTEOSA-N -1 0 326.396 3.602 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CC[C@@H](c3ccccc3F)C2)cc1 ZINC000738684294 600177713 /nfs/dbraw/zinc/17/77/13/600177713.db2.gz WRBSMTDAEWRNCV-CYBMUJFWSA-N -1 0 328.343 3.545 20 0 EHADRM CCN(C(=O)CCOc1ccc(Cl)cc1)c1ccccc1C(=O)[O-] ZINC000737053403 600178891 /nfs/dbraw/zinc/17/88/91/600178891.db2.gz OAGQIPHYYBNHMC-UHFFFAOYSA-N -1 0 347.798 3.860 20 0 EHADRM CCCC[C@H](Cc1ccccn1)OC(=O)c1cccc(C(=O)[O-])c1 ZINC000736981773 600179311 /nfs/dbraw/zinc/17/93/11/600179311.db2.gz HJIKZDIIMIXKHH-QGZVFWFLSA-N -1 0 327.380 3.738 20 0 EHADRM O=C([O-])c1ccc(Oc2ccnc(C3CC3)n2)c(Br)c1 ZINC000740167945 600180787 /nfs/dbraw/zinc/18/07/87/600180787.db2.gz NINFYCURYNSMND-UHFFFAOYSA-N -1 0 335.157 3.607 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)C(C)C ZINC000738787247 600183803 /nfs/dbraw/zinc/18/38/03/600183803.db2.gz UYWGEFAAHQUBPV-OAHLLOKOSA-N -1 0 345.374 3.746 20 0 EHADRM CC(C)(C)Oc1ccccc1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263076599 600184070 /nfs/dbraw/zinc/18/40/70/600184070.db2.gz QOEIMXRIPOVXPG-UHFFFAOYSA-N -1 0 334.416 3.629 20 0 EHADRM CCc1ccc([C@H](C)C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000236972481 600187332 /nfs/dbraw/zinc/18/73/32/600187332.db2.gz ZDMHQPCPVLVRII-NSHDSACASA-N -1 0 342.351 3.598 20 0 EHADRM CCCCc1nc(COC(=O)c2ccc(NC(=O)[O-])cc2)cs1 ZINC000737004514 600187652 /nfs/dbraw/zinc/18/76/52/600187652.db2.gz RGMBUCQGSGWZRJ-UHFFFAOYSA-N -1 0 334.397 3.933 20 0 EHADRM CCCC[C@H](CC)CNC(=S)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000736980757 600188997 /nfs/dbraw/zinc/18/89/97/600188997.db2.gz BZAZBYMNPSWQAW-DZGCQCFKSA-N -1 0 334.485 3.766 20 0 EHADRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(C)n1C(C)C ZINC000236710361 600189545 /nfs/dbraw/zinc/18/95/45/600189545.db2.gz SFDYFVVXDFVZOY-UHFFFAOYSA-N -1 0 345.355 3.545 20 0 EHADRM C[C@@H](OC(=O)c1ccccc1S[C@@H](C)C(=O)[O-])c1cccnc1 ZINC000736717956 600190091 /nfs/dbraw/zinc/19/00/91/600190091.db2.gz RVMMFLZWGWTJNG-NEPJUHHUSA-N -1 0 331.393 3.565 20 0 EHADRM Cc1ccc(N(Cc2cccs2)C(=O)CCSCC(=O)[O-])cc1 ZINC000738608713 600193694 /nfs/dbraw/zinc/19/36/94/600193694.db2.gz SZAVZGZVBWDBEB-UHFFFAOYSA-N -1 0 349.477 3.798 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CSCc2ccc(F)cc2)c(F)c1 ZINC000390955027 600200544 /nfs/dbraw/zinc/20/05/44/600200544.db2.gz SBLOHEFYERVSJF-UHFFFAOYSA-N -1 0 337.347 3.535 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000261955469 600201742 /nfs/dbraw/zinc/20/17/42/600201742.db2.gz QOCNSRJEQBFSNJ-LBPRGKRZSA-N -1 0 345.370 3.740 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000262571868 600206957 /nfs/dbraw/zinc/20/69/57/600206957.db2.gz NEQNUKWEDLZQQL-CQSZACIVSA-N -1 0 327.380 3.591 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@H](c1ccccc1)c1cccc2ccccc21 ZINC000485747395 600207219 /nfs/dbraw/zinc/20/72/19/600207219.db2.gz GHMJQUXMXIWBDY-VAMGGRTRSA-N -1 0 345.398 3.766 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NCC(=O)Nc2cccc(Cl)c2)c1 ZINC000739310252 600207411 /nfs/dbraw/zinc/20/74/11/600207411.db2.gz ZSIFZOWEPYPMQS-UHFFFAOYSA-N -1 0 339.178 3.742 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccc(OC3CCCCC3)cc2)n1 ZINC000740217214 600209525 /nfs/dbraw/zinc/20/95/25/600209525.db2.gz UANWECCIYOAMQM-UHFFFAOYSA-N -1 0 340.379 3.744 20 0 EHADRM CN(Cc1cc(-c2ccc(F)cc2)no1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737454242 600209580 /nfs/dbraw/zinc/20/95/80/600209580.db2.gz GBHXSULZAXMHKP-SFHVURJKSA-N -1 0 340.354 3.738 20 0 EHADRM Cc1oc(-c2ccccc2)nc1CN(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000738957736 600211226 /nfs/dbraw/zinc/21/12/26/600211226.db2.gz ZOPVEKHBPPJXRQ-GOSISDBHSA-N -1 0 336.391 3.908 20 0 EHADRM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000736904873 600211438 /nfs/dbraw/zinc/21/14/38/600211438.db2.gz ZTNCJCHGXZNXRU-INIZCTEOSA-N -1 0 331.799 3.789 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(Cl)s2)c(OC(F)F)c1 ZINC000740156196 600213242 /nfs/dbraw/zinc/21/32/42/600213242.db2.gz IHOGKSIWACSGDO-UHFFFAOYSA-N -1 0 347.726 3.953 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2C[C@H](C(=O)[O-])c3ccccc32)o1 ZINC000393051078 600216767 /nfs/dbraw/zinc/21/67/67/600216767.db2.gz LGUQNFIDNLTJAJ-KCXAZCMYSA-N -1 0 339.391 3.551 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C[C@H]2CCCc3ccccc32)c2ccccc21 ZINC000192929967 600220513 /nfs/dbraw/zinc/22/05/13/600220513.db2.gz MGXONKXQWMTGFE-CRAIPNDOSA-N -1 0 335.403 3.712 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2cc3ccc(F)cc3s2)c2ccccc21 ZINC000325191926 600221893 /nfs/dbraw/zinc/22/18/93/600221893.db2.gz CVEKXRUMKDXTLY-ZDUSSCGKSA-N -1 0 341.363 3.869 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000327129823 600225717 /nfs/dbraw/zinc/22/57/17/600225717.db2.gz GJVVSFOJZJSUND-CQSZACIVSA-N -1 0 339.322 3.709 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)/C=C\Sc2ccccc2)c2ccccc21 ZINC000739603511 600226137 /nfs/dbraw/zinc/22/61/37/600226137.db2.gz DINJCQXNPOKWDA-JQPIKURYSA-N -1 0 325.389 3.507 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000327120963 600227364 /nfs/dbraw/zinc/22/73/64/600227364.db2.gz DXRZALWMNJLQBJ-ZDUSSCGKSA-N -1 0 339.322 3.709 20 0 EHADRM CCC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1Cc1cccs1 ZINC000736932716 600228394 /nfs/dbraw/zinc/22/83/94/600228394.db2.gz VHUGWLRQEADHML-MRXNPFEDSA-N -1 0 342.420 3.763 20 0 EHADRM CCOc1ccccc1NC(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000737218295 600232122 /nfs/dbraw/zinc/23/21/22/600232122.db2.gz KXBANSGHKFTEHG-UHFFFAOYSA-N -1 0 344.367 3.583 20 0 EHADRM Cc1csc(C(C)(C)NC(=O)Nc2cc(C(=O)[O-])ccc2C)n1 ZINC000738817358 600233572 /nfs/dbraw/zinc/23/35/72/600233572.db2.gz ZUTLVYRQRUDQEO-UHFFFAOYSA-N -1 0 333.413 3.515 20 0 EHADRM CCN(C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-])C(C)C ZINC000737059844 600236965 /nfs/dbraw/zinc/23/69/65/600236965.db2.gz IQVYPMPIEHKCEY-SFHVURJKSA-N -1 0 342.439 3.523 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N2CCC[C@H]2c2ccco2)ccc1F ZINC000740006184 600241443 /nfs/dbraw/zinc/24/14/43/600241443.db2.gz SHTSVSJCMTWUGN-ZDUSSCGKSA-N -1 0 333.319 3.878 20 0 EHADRM CC(C)C(C)(C)NC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000736350327 600241905 /nfs/dbraw/zinc/24/19/05/600241905.db2.gz XSLOBGJASYKSPF-UHFFFAOYSA-N -1 0 338.473 3.951 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)c1cccc(Oc2nccs2)c1 ZINC000681679603 600245893 /nfs/dbraw/zinc/24/58/93/600245893.db2.gz MDWLETCGPCVXEK-UHFFFAOYSA-N -1 0 340.360 3.886 20 0 EHADRM COc1ccc2nc(-c3nc(-c4ccc(C(=O)[O-])cc4)no3)ccc2c1 ZINC000738078313 600246202 /nfs/dbraw/zinc/24/62/02/600246202.db2.gz CAJCJHHZWMOQQW-UHFFFAOYSA-N -1 0 347.330 3.659 20 0 EHADRM CC(C)(C(=O)NCc1ccc(C(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000236715268 600246241 /nfs/dbraw/zinc/24/62/41/600246241.db2.gz KZUVGTOBGPFREU-UHFFFAOYSA-N -1 0 331.799 3.632 20 0 EHADRM CN(CCCC(=O)O[C@@H]1CCCC[C@@H]1c1ccc(F)cc1)C(=O)[O-] ZINC000737432771 600250525 /nfs/dbraw/zinc/25/05/25/600250525.db2.gz FIMTUJHBIZXTDW-HZPDHXFCSA-N -1 0 337.391 3.785 20 0 EHADRM Cc1cc(NC(=O)c2cc3c(nc(C)cc3C)s2)c(C(=O)[O-])[nH]1 ZINC000738358152 600251327 /nfs/dbraw/zinc/25/13/27/600251327.db2.gz QYMMEULLVNSZJQ-UHFFFAOYSA-N -1 0 329.381 3.500 20 0 EHADRM Cc1cc(NC(=O)[C@H](C)Sc2ccccc2Cl)c(C(=O)[O-])[nH]1 ZINC000738418009 600253565 /nfs/dbraw/zinc/25/35/65/600253565.db2.gz MBUXGOVDVRXQKJ-VIFPVBQESA-N -1 0 338.816 3.794 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(C(=O)[C@H]1C[C@@H]1c1cccc3ccccc31)CC2 ZINC000262158027 600268353 /nfs/dbraw/zinc/26/83/53/600268353.db2.gz PEIWYBROGQRXOI-QYZOEREBSA-N -1 0 349.430 3.657 20 0 EHADRM O=C([O-])[C@H]1CC12CCN(C(=O)c1cc3c(s1)CCCCCC3)CC2 ZINC000262460168 600271810 /nfs/dbraw/zinc/27/18/10/600271810.db2.gz QOKKLRCVTXAEIJ-CQSZACIVSA-N -1 0 347.480 3.734 20 0 EHADRM CSCC[C@@H](C)N(C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000161785385 600274771 /nfs/dbraw/zinc/27/47/71/600274771.db2.gz QCXSLVLPEZJMKU-SECBINFHSA-N -1 0 330.837 3.644 20 0 EHADRM Cc1c(NC(=O)N[C@@H](Cc2ccccc2)C2CC2)cccc1C(=O)[O-] ZINC000738302594 600275184 /nfs/dbraw/zinc/27/51/84/600275184.db2.gz AAWBMZTUYGWRMU-SFHVURJKSA-N -1 0 338.407 3.836 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(C(=O)c1sccc1-c1ccccc1)CC2 ZINC000262500046 600276325 /nfs/dbraw/zinc/27/63/25/600276325.db2.gz YHNURVYDCGUGPZ-HNNXBMFYSA-N -1 0 341.432 3.742 20 0 EHADRM C[C@H]1CCCC[C@H]1NC(=S)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736784378 600279286 /nfs/dbraw/zinc/27/92/86/600279286.db2.gz IDRTUMCLIPKTTJ-SWLSCSKDSA-N -1 0 335.473 3.662 20 0 EHADRM CC[C@H]1CCCN(C(=O)c2ccccc2S[C@H](C)C(=O)[O-])CC1 ZINC000262060194 600281260 /nfs/dbraw/zinc/28/12/60/600281260.db2.gz CZMRDLIFTYPFJW-KGLIPLIRSA-N -1 0 335.469 3.904 20 0 EHADRM Cc1ccc(-c2ccc(OCc3noc(CCC(=O)[O-])n3)cc2)cc1 ZINC000738488496 600281439 /nfs/dbraw/zinc/28/14/39/600281439.db2.gz SLQGUCZDUXHCNT-UHFFFAOYSA-N -1 0 338.363 3.641 20 0 EHADRM O=C([O-])CCCc1nc(COc2ccccc2-c2ccccc2)no1 ZINC000739702293 600281763 /nfs/dbraw/zinc/28/17/63/600281763.db2.gz MRNVDJLUOWQPJM-UHFFFAOYSA-N -1 0 338.363 3.723 20 0 EHADRM Cc1noc(C)c1[C@H](C)Nc1nc(C)nc2sc(C(=O)[O-])c(C)c21 ZINC000649389685 600281778 /nfs/dbraw/zinc/28/17/78/600281778.db2.gz BEQBGFMTFXUJNV-ZETCQYMHSA-N -1 0 346.412 3.784 20 0 EHADRM Cc1cccc(OCCC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)c1 ZINC000738733630 600282289 /nfs/dbraw/zinc/28/22/89/600282289.db2.gz AEDADKPZHVJQCZ-UHFFFAOYSA-N -1 0 342.395 3.512 20 0 EHADRM CC(C)Oc1ccc(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cc1 ZINC000736486014 600282355 /nfs/dbraw/zinc/28/23/55/600282355.db2.gz IQPBLSIOPZDKAY-UHFFFAOYSA-N -1 0 342.395 3.836 20 0 EHADRM CO[C@H](CNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1ccccc1 ZINC000737734311 600282488 /nfs/dbraw/zinc/28/24/88/600282488.db2.gz OMRHWIBPKJEOCT-OAHLLOKOSA-N -1 0 348.786 3.547 20 0 EHADRM CSCC[C@@H](C)N(C)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000161751819 600284878 /nfs/dbraw/zinc/28/48/78/600284878.db2.gz MYLRPMRRPGXADH-SECBINFHSA-N -1 0 330.837 3.644 20 0 EHADRM C[C@H](c1nc2ccccc2n1C(F)F)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000574644919 600287834 /nfs/dbraw/zinc/28/78/34/600287834.db2.gz YUWGKIGULLBFSK-NEPJUHHUSA-N -1 0 349.381 3.679 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000738757270 600293183 /nfs/dbraw/zinc/29/31/83/600293183.db2.gz ZVXJLOKUTOHUQU-AWEZNQCLSA-N -1 0 326.396 3.895 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)C2(c3cccc(F)c3)CCC2)cc1 ZINC000739987226 600295625 /nfs/dbraw/zinc/29/56/25/600295625.db2.gz WXJKZBBNRXKOEI-UHFFFAOYSA-N -1 0 342.370 3.654 20 0 EHADRM Cc1cc2[nH]c(C(=O)Nc3ccc(CNC(=O)[O-])cc3)cc2c(C)c1 ZINC000738357852 600310635 /nfs/dbraw/zinc/31/06/35/600310635.db2.gz NOEOXZHNWAXKKV-UHFFFAOYSA-N -1 0 337.379 3.805 20 0 EHADRM CC(C)(CNC(=O)c1ccccc1NC(=O)[O-])Cc1ccccc1 ZINC000736325115 600311179 /nfs/dbraw/zinc/31/11/79/600311179.db2.gz VTRQDJBQIAGKOC-UHFFFAOYSA-N -1 0 326.396 3.775 20 0 EHADRM CN(Cc1ccc(Nc2ccnc(-c3ccccc3)n2)cc1)C(=O)[O-] ZINC000737486173 600312994 /nfs/dbraw/zinc/31/29/94/600312994.db2.gz QPHCFZGWCPMMBH-UHFFFAOYSA-N -1 0 334.379 3.997 20 0 EHADRM Nc1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)ccc1Cl ZINC000739202963 600321201 /nfs/dbraw/zinc/32/12/01/600321201.db2.gz DVZDBOAFRSAHQB-CYBMUJFWSA-N -1 0 340.162 3.558 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccc2cc[nH]c2c1)c1cccc(Cl)c1 ZINC000740299729 600326128 /nfs/dbraw/zinc/32/61/28/600326128.db2.gz RAYWIJUVGPQTCW-HNNXBMFYSA-N -1 0 329.739 3.804 20 0 EHADRM O=C([O-])[C@H]1CC12CCN(C(=O)Nc1cccc(Cl)c1Cl)CC2 ZINC000405457554 600333208 /nfs/dbraw/zinc/33/32/08/600333208.db2.gz YVIYZGDQVFYSOM-SECBINFHSA-N -1 0 343.210 3.712 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405408075 600333477 /nfs/dbraw/zinc/33/34/77/600333477.db2.gz VHAHUOXTFMGBRC-AWEZNQCLSA-N -1 0 330.428 3.703 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)Nc2ccc3ncsc3c2)cc1 ZINC000739991034 600336479 /nfs/dbraw/zinc/33/64/79/600336479.db2.gz HNBSCINPKWJRLN-UHFFFAOYSA-N -1 0 342.380 3.708 20 0 EHADRM C[C@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736782002 600343743 /nfs/dbraw/zinc/34/37/43/600343743.db2.gz BNQOVZWLXIGVBL-XJKSGUPXSA-N -1 0 333.432 3.839 20 0 EHADRM CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736940699 600344282 /nfs/dbraw/zinc/34/42/82/600344282.db2.gz HCNWGEZLRXWHQP-GDBMZVCRSA-N -1 0 333.432 3.887 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1cc(F)ccc1F ZINC000736647841 600353546 /nfs/dbraw/zinc/35/35/46/600353546.db2.gz AFHUNJPCDMLWAZ-SNVBAGLBSA-N -1 0 349.337 3.615 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)NC2CC(c3ccccc3)C2)cc1 ZINC000739987975 600354635 /nfs/dbraw/zinc/35/46/35/600354635.db2.gz IACGFGJOPKKNTO-UHFFFAOYSA-N -1 0 339.395 3.522 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)N2CCC[C@H]2c2cccs2)cc1 ZINC000739989218 600357584 /nfs/dbraw/zinc/35/75/84/600357584.db2.gz SEKSMQOEVXJHIR-AWEZNQCLSA-N -1 0 345.424 3.885 20 0 EHADRM CN(C)[C@@H](C(=O)Nc1cccc(NC(=O)[O-])c1)c1cccc(Cl)c1 ZINC000737362415 600360089 /nfs/dbraw/zinc/36/00/89/600360089.db2.gz WSIHSPJPJUHNJM-OAHLLOKOSA-N -1 0 347.802 3.671 20 0 EHADRM O=C([O-])c1ccc(-c2noc(-c3cc(Cl)cc([N+](=O)[O-])c3)n2)cc1 ZINC000325614828 600361701 /nfs/dbraw/zinc/36/17/01/600361701.db2.gz QYKDZXNULRSUHN-UHFFFAOYSA-N -1 0 345.698 3.663 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)Nc1cc(C)c(C(=O)[O-])s1 ZINC000738115678 600368632 /nfs/dbraw/zinc/36/86/32/600368632.db2.gz NWXLYDFPYRGKTH-UHFFFAOYSA-N -1 0 333.409 3.680 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CC/C=C/c1ccccc1)c1ccc(F)cc1 ZINC000362442988 600376696 /nfs/dbraw/zinc/37/66/96/600376696.db2.gz XBMPDDHPQOWPCG-SBLNNXNXSA-N -1 0 341.382 3.951 20 0 EHADRM CC[C@H](CC(=O)N[C@H](Cc1ccccc1)C(=O)[O-])c1ccc(C)cc1 ZINC000236936705 600377510 /nfs/dbraw/zinc/37/75/10/600377510.db2.gz SHMTXAPOPDEQTR-IEBWSBKVSA-N -1 0 339.435 3.691 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H](C)c2ccsc2)cc1 ZINC000262125596 600377581 /nfs/dbraw/zinc/37/75/81/600377581.db2.gz JHWQVFLDZOJLIW-NHYWBVRUSA-N -1 0 349.477 3.906 20 0 EHADRM CCCc1cc(=O)[nH]c(S[C@H](C(=O)[O-])c2cccc(Cl)c2)n1 ZINC000737045547 600378104 /nfs/dbraw/zinc/37/81/04/600378104.db2.gz WVGGPJHVBZZIHF-ZDUSSCGKSA-N -1 0 338.816 3.706 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)N(CC2CC2)C2CCCCC2)cc1 ZINC000739823003 600378249 /nfs/dbraw/zinc/37/82/49/600378249.db2.gz BWVQPWJKQXKUAI-UHFFFAOYSA-N -1 0 346.427 3.727 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)Cc1c[nH]c2ccccc12)c1ccccc1 ZINC000736853997 600378951 /nfs/dbraw/zinc/37/89/51/600378951.db2.gz WLIMVRUXMDMKAZ-SFHVURJKSA-N -1 0 336.391 3.607 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)c1ccsc1 ZINC000736217172 600379081 /nfs/dbraw/zinc/37/90/81/600379081.db2.gz VRBCGQAIVQSWFD-MRVPVSSYSA-N -1 0 341.335 3.790 20 0 EHADRM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000736825106 600379090 /nfs/dbraw/zinc/37/90/90/600379090.db2.gz KZJRHHLTOFLTTM-MGPLVRAMSA-N -1 0 328.343 3.579 20 0 EHADRM CC[C@@H](CC(=O)N(C)c1nc(CC(=O)[O-])cs1)c1ccc(C)cc1 ZINC000736893011 600379517 /nfs/dbraw/zinc/37/95/17/600379517.db2.gz RSLVAMRXHCTRMJ-ZDUSSCGKSA-N -1 0 346.452 3.625 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)CCCOc1ccccc1)c1ccccc1 ZINC000736850984 600379972 /nfs/dbraw/zinc/37/99/72/600379972.db2.gz ZOMROAVGYRINNI-SFHVURJKSA-N -1 0 341.407 3.742 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)COc1cc(C)ccc1C)c1ccccc1 ZINC000736851061 600379989 /nfs/dbraw/zinc/37/99/89/600379989.db2.gz DOCLKBLSDMCBKN-KRWDZBQOSA-N -1 0 341.407 3.579 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)COc1cc(C)ccc1C)c1ccccc1 ZINC000736851062 600380231 /nfs/dbraw/zinc/38/02/31/600380231.db2.gz DOCLKBLSDMCBKN-QGZVFWFLSA-N -1 0 341.407 3.579 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)N(CC2CC2)C2CCCCC2)c1 ZINC000738612625 600380551 /nfs/dbraw/zinc/38/05/51/600380551.db2.gz OIJGNCZFPAFQAQ-UHFFFAOYSA-N -1 0 346.427 3.727 20 0 EHADRM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000736823813 600380884 /nfs/dbraw/zinc/38/08/84/600380884.db2.gz CPINNWQBLWBTEW-MEDUHNTESA-N -1 0 325.368 3.832 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1cccc(Oc2ccccc2)c1 ZINC000236581564 600381185 /nfs/dbraw/zinc/38/11/85/600381185.db2.gz JOYBOAKDZISOJJ-UHFFFAOYSA-N -1 0 327.380 3.852 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)/C=C/C1CCCCC1 ZINC000737871170 600381264 /nfs/dbraw/zinc/38/12/64/600381264.db2.gz IPZAUQADKBQZPH-HZOWPXDZSA-N -1 0 330.380 3.835 20 0 EHADRM COc1ccc(CN(C)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1C ZINC000737994519 600384098 /nfs/dbraw/zinc/38/40/98/600384098.db2.gz ICPPUCXOJZMRGR-UHFFFAOYSA-N -1 0 346.358 3.505 20 0 EHADRM CCOc1ccc(CN(C)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000737205541 600385241 /nfs/dbraw/zinc/38/52/41/600385241.db2.gz LJAXEDLIPFJVQW-UHFFFAOYSA-N -1 0 346.358 3.587 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@H](C)c1ccccc1F)c1ccccc1 ZINC000736845707 600385366 /nfs/dbraw/zinc/38/53/66/600385366.db2.gz CMTUNLRBIGPWGK-DYVFJYSZSA-N -1 0 329.371 3.826 20 0 EHADRM CCC(=CC(=O)NCCc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000736835401 600385755 /nfs/dbraw/zinc/38/57/55/600385755.db2.gz LXQVVXSUFXKATL-PEZBUJJGSA-N -1 0 338.407 3.929 20 0 EHADRM O=C([O-])c1cc(NC(=O)NC[C@H]2CCCc3ccccc32)ccc1F ZINC000739415329 600387042 /nfs/dbraw/zinc/38/70/42/600387042.db2.gz ROBOFWNHQVIWSB-CYBMUJFWSA-N -1 0 342.370 3.766 20 0 EHADRM CCCOc1cccc(C(=O)N(c2ccccc2)[C@@H](CC)C(=O)[O-])c1 ZINC000737034237 600389076 /nfs/dbraw/zinc/38/90/76/600389076.db2.gz FBQCYNJVLJGJPT-SFHVURJKSA-N -1 0 341.407 3.985 20 0 EHADRM Cc1ccc([C@H](C)CNC(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000237399835 600389434 /nfs/dbraw/zinc/38/94/34/600389434.db2.gz AWQYXOVVTNNYMJ-OAHLLOKOSA-N -1 0 325.408 3.546 20 0 EHADRM Cc1cccc([C@@H]2CCCCCN2C(=O)CCCN(C)C(=O)[O-])c1 ZINC000738687833 600391025 /nfs/dbraw/zinc/39/10/25/600391025.db2.gz VRYNGWCMZDQMMY-KRWDZBQOSA-N -1 0 332.444 3.829 20 0 EHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)CCc2ccco2)cc1 ZINC000236603712 600391087 /nfs/dbraw/zinc/39/10/87/600391087.db2.gz ZRSIJOZEBMPCHH-QGZVFWFLSA-N -1 0 343.423 3.842 20 0 EHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)C[C@@H]2C=CCC2)cc1 ZINC000236604544 600392131 /nfs/dbraw/zinc/39/21/31/600392131.db2.gz WEYGDWOIVNWKPD-RHSMWYFYSA-N -1 0 329.440 3.972 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000736420650 600396053 /nfs/dbraw/zinc/39/60/53/600396053.db2.gz IZCTYFNQEZIETC-CABZTGNLSA-N -1 0 347.242 3.853 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@H](C)c1cccc(Cl)c1Cl ZINC000736420652 600396272 /nfs/dbraw/zinc/39/62/72/600396272.db2.gz IZCTYFNQEZIETC-SKDRFNHKSA-N -1 0 347.242 3.853 20 0 EHADRM Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000738671373 600396390 /nfs/dbraw/zinc/39/63/90/600396390.db2.gz XFDHMSLDAHHXKM-OAHLLOKOSA-N -1 0 328.343 3.641 20 0 EHADRM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCO[C@H](c2ccccc2F)C1 ZINC000576522235 600403425 /nfs/dbraw/zinc/40/34/25/600403425.db2.gz BNHXYJKNWZUDMK-DLBZAZTESA-N -1 0 349.789 3.678 20 0 EHADRM CCCCCCNC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736983089 600404590 /nfs/dbraw/zinc/40/45/90/600404590.db2.gz GDODKDUNMAHNJI-UHFFFAOYSA-N -1 0 330.331 3.688 20 0 EHADRM O=C([O-])[C@H](c1ccccc1)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000565898361 600405534 /nfs/dbraw/zinc/40/55/34/600405534.db2.gz QFJQTPJOTZHBIE-IRXDYDNUSA-N -1 0 331.799 3.539 20 0 EHADRM C[C@H]1CC[C@H](NC(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)CC1 ZINC000738227605 600408778 /nfs/dbraw/zinc/40/87/78/600408778.db2.gz GBIWNLNTINZXRD-HOMQSWHASA-N -1 0 342.342 3.686 20 0 EHADRM CCc1[nH]c(C(=O)N2CCc3ccccc3[C@@H]2CC)c(C)c1C(=O)[O-] ZINC000737242715 600412172 /nfs/dbraw/zinc/41/21/72/600412172.db2.gz VMCWYKZHMJAGBJ-INIZCTEOSA-N -1 0 340.423 3.733 20 0 EHADRM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)c2ccc(C(=O)[O-])cn2)cc1 ZINC000192969401 600415515 /nfs/dbraw/zinc/41/55/15/600415515.db2.gz LMVBXNDBVSAHJM-RDTXWAMCSA-N -1 0 338.407 3.702 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000236835341 600415720 /nfs/dbraw/zinc/41/57/20/600415720.db2.gz XPGWUUNFUGPWPY-IAGOWNOFSA-N -1 0 325.408 3.703 20 0 EHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)o1 ZINC000738264211 600417588 /nfs/dbraw/zinc/41/75/88/600417588.db2.gz LDDBITCQKIXBGR-AWEZNQCLSA-N -1 0 344.411 3.989 20 0 EHADRM CCC(=O)Nc1ccc(N[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000736847666 600424563 /nfs/dbraw/zinc/42/45/63/600424563.db2.gz MOPLLOZSUXGKRD-INIZCTEOSA-N -1 0 332.787 3.926 20 0 EHADRM Cc1oc(COC(=O)C[C@@H]2CCc3ccccc3C2)cc1C(=O)[O-] ZINC000738981218 600425605 /nfs/dbraw/zinc/42/56/05/600425605.db2.gz JLKYYGGWNQWFNS-CYBMUJFWSA-N -1 0 328.364 3.525 20 0 EHADRM O=C([O-])c1cc(NC(=O)C[C@@H]2CCc3ccccc3C2)ccc1F ZINC000739223882 600426730 /nfs/dbraw/zinc/42/67/30/600426730.db2.gz WCKXYEAHGSUJLR-GFCCVEGCSA-N -1 0 327.355 3.658 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)C[C@H]1CCc2ccccc2C1 ZINC000739220847 600426782 /nfs/dbraw/zinc/42/67/82/600426782.db2.gz CZDQEEVOUYYZLV-LBPRGKRZSA-N -1 0 327.355 3.658 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)C[C@@H]2CCc3ccccc3C2)c1 ZINC000737934534 600427827 /nfs/dbraw/zinc/42/78/27/600427827.db2.gz GVHAJBLSGLYPRL-CYBMUJFWSA-N -1 0 339.391 3.527 20 0 EHADRM C[C@H](C(=O)Nc1cc(C(=O)[O-])ccn1)c1c(Cl)cccc1Cl ZINC000736216242 600429836 /nfs/dbraw/zinc/42/98/36/600429836.db2.gz PAODHYYOMBTJQJ-QMMMGPOBSA-N -1 0 339.178 3.829 20 0 EHADRM O=C([O-])[C@@H](Nc1cccc(NC(=O)c2ccoc2)c1)c1ccccc1 ZINC000738511785 600432136 /nfs/dbraw/zinc/43/21/36/600432136.db2.gz ZIQIPPVOWBJICP-KRWDZBQOSA-N -1 0 336.347 3.770 20 0 EHADRM CCS[C@@H]1CCCCN(C(=O)Nc2cccc(NC(=O)[O-])c2)C1 ZINC000737230550 600437962 /nfs/dbraw/zinc/43/79/62/600437962.db2.gz SEQCBAJBYHXOQS-CQSZACIVSA-N -1 0 337.445 3.916 20 0 EHADRM O=C([O-])[C@H](OC(=O)CCn1ccc2ccccc21)c1ccc(F)cc1 ZINC000739268576 600448521 /nfs/dbraw/zinc/44/85/21/600448521.db2.gz MIWWYHFJXDDSRJ-GOSISDBHSA-N -1 0 341.338 3.540 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)/C=C\c2cncc(F)c2)s1 ZINC000736294200 600450501 /nfs/dbraw/zinc/45/05/01/600450501.db2.gz KPBDUKYHWHXQPG-PLNGDYQASA-N -1 0 348.399 3.930 20 0 EHADRM Cc1ccc2c(CC(=O)O[C@@H](C(=O)[O-])c3ccc(F)cc3)c[nH]c2c1 ZINC000738663860 600455173 /nfs/dbraw/zinc/45/51/73/600455173.db2.gz FOQUHKNJDTZMPE-GOSISDBHSA-N -1 0 341.338 3.527 20 0 EHADRM CC[C@@H](NC(=O)NCCc1ccc(NC(=O)[O-])cc1)C1CCCCC1 ZINC000736914382 600457848 /nfs/dbraw/zinc/45/78/48/600457848.db2.gz SHLSOPNUHZERCJ-QGZVFWFLSA-N -1 0 347.459 3.977 20 0 EHADRM CC(C)(C)CCCCNC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736248443 600458697 /nfs/dbraw/zinc/45/86/97/600458697.db2.gz IVDTVDDRWYGQLT-UHFFFAOYSA-N -1 0 335.448 3.835 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)Nc2ccc3oc4ccccc4c3c2)C1 ZINC000514663117 600471996 /nfs/dbraw/zinc/47/19/96/600471996.db2.gz TWIXUAZGAZWNHN-LBPRGKRZSA-N -1 0 338.363 3.915 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)Nc2cc(C(=O)[O-])ccc2F)s1 ZINC000321307953 600475254 /nfs/dbraw/zinc/47/52/54/600475254.db2.gz AZSZQOBARDLYQJ-SECBINFHSA-N -1 0 336.388 3.647 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)[C@H]2CSc3ccccc32)ccc1F ZINC000740005253 600476220 /nfs/dbraw/zinc/47/62/20/600476220.db2.gz FMNKVSZPOFHAIE-NSHDSACASA-N -1 0 332.356 3.744 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000736904691 600477305 /nfs/dbraw/zinc/47/73/05/600477305.db2.gz XKXQBORXXGFNMQ-WMZOPIPTSA-N -1 0 325.408 3.588 20 0 EHADRM CSc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)o1 ZINC000262413151 600478563 /nfs/dbraw/zinc/47/85/63/600478563.db2.gz OLBSOWOREGSCAC-UHFFFAOYSA-N -1 0 335.381 3.739 20 0 EHADRM Cc1ncc(/C=C/C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])s1 ZINC000738883977 600479337 /nfs/dbraw/zinc/47/93/37/600479337.db2.gz UVWFSVLEGMHGFA-FNORWQNLSA-N -1 0 330.409 3.925 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)N2CCC3(CCCC3)CC2)cc1 ZINC000739739272 600479826 /nfs/dbraw/zinc/47/98/26/600479826.db2.gz NXUPXSFSYKQFGQ-UHFFFAOYSA-N -1 0 346.427 3.728 20 0 EHADRM CSc1ccc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)cc1 ZINC000345839539 600480787 /nfs/dbraw/zinc/48/07/87/600480787.db2.gz LPJRMFQUXXHZFS-UHFFFAOYSA-N -1 0 345.420 3.904 20 0 EHADRM C[C@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000736840599 600481875 /nfs/dbraw/zinc/48/18/75/600481875.db2.gz ORLYWGZTUUMCRO-JTQLQIEISA-N -1 0 346.333 3.814 20 0 EHADRM C[C@@H]1CCC[C@@H](CC(=O)NCc2ccc(OCCCC(=O)[O-])cc2)C1 ZINC000237578984 600482319 /nfs/dbraw/zinc/48/23/19/600482319.db2.gz JLAINUMVENEHGB-NVXWUHKLSA-N -1 0 347.455 3.763 20 0 EHADRM CCc1ccsc1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000263135455 600482356 /nfs/dbraw/zinc/48/23/56/600482356.db2.gz HUJHUICKCZOIIL-UHFFFAOYSA-N -1 0 333.409 3.806 20 0 EHADRM O=C([O-])c1cccc(COC(=O)c2ccccc2OC2CCC2)c1 ZINC000740227573 600505113 /nfs/dbraw/zinc/50/51/13/600505113.db2.gz OTJMVKSBUCADPT-UHFFFAOYSA-N -1 0 326.348 3.673 20 0 EHADRM Cc1c(NC(=O)NC[C@@H]2CCCO[C@H]2C(C)(C)C)cccc1C(=O)[O-] ZINC000738302635 600505968 /nfs/dbraw/zinc/50/59/68/600505968.db2.gz ALCCAXSLBOARGB-XJKSGUPXSA-N -1 0 348.443 3.656 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@@H]2CCc3ccccc3C2)cc1Cl ZINC000391954043 600511805 /nfs/dbraw/zinc/51/18/05/600511805.db2.gz DJEWXJQFVAECFM-CYBMUJFWSA-N -1 0 344.798 3.717 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC000675985627 600521776 /nfs/dbraw/zinc/52/17/76/600521776.db2.gz HSZLBKLNCGWWFT-MRXNPFEDSA-N -1 0 327.380 3.708 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000738539207 600524242 /nfs/dbraw/zinc/52/42/42/600524242.db2.gz CUUZEOKSMMKLJX-UHFFFAOYSA-N -1 0 343.766 3.976 20 0 EHADRM Cc1cccc([C@@H](C)C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c1 ZINC000237493022 600527604 /nfs/dbraw/zinc/52/76/04/600527604.db2.gz MCJLHLQGUIBXQB-OAHLLOKOSA-N -1 0 341.407 3.981 20 0 EHADRM CC[C@H]1CCCCCN1C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000736941339 600529732 /nfs/dbraw/zinc/52/97/32/600529732.db2.gz KOVFMWKZKQDYSM-AWEZNQCLSA-N -1 0 328.412 3.521 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)NCc2ccc(C(=O)[O-])o2)c2ccccc21 ZINC000736725933 600534624 /nfs/dbraw/zinc/53/46/24/600534624.db2.gz CLIUNKWXLOMADU-OAHLLOKOSA-N -1 0 342.395 3.590 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2csc3ccccc23)cc([N+](=O)[O-])c1 ZINC000238191473 600540628 /nfs/dbraw/zinc/54/06/28/600540628.db2.gz NLFICBHNGSGUQK-UHFFFAOYSA-N -1 0 342.332 3.760 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCC2(c3cccc(Cl)c3)CC2)s1 ZINC000238010413 600550266 /nfs/dbraw/zinc/55/02/66/600550266.db2.gz IODLGZGFDBJKOQ-UHFFFAOYSA-N -1 0 335.812 3.561 20 0 EHADRM C[C@@H]1CCCC[C@@H]1OCC(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC000736785530 600551592 /nfs/dbraw/zinc/55/15/92/600551592.db2.gz QJRRBDHMIRVDJC-MFKMUULPSA-N -1 0 326.776 3.539 20 0 EHADRM CC(C)[C@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000621552998 600555895 /nfs/dbraw/zinc/55/58/95/600555895.db2.gz KLBHBNNVRKCPHI-VIFPVBQESA-N -1 0 333.306 3.557 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)CSc1cccc(C(F)(F)F)c1 ZINC000736464817 600560820 /nfs/dbraw/zinc/56/08/20/600560820.db2.gz VNLAUJUIZMQHBD-UHFFFAOYSA-N -1 0 349.374 3.509 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C\C(=O)N(CCC(=O)[O-])C(C)C ZINC000736885324 600561016 /nfs/dbraw/zinc/56/10/16/600561016.db2.gz AGDOTNVTUGOBHD-JQPIKURYSA-N -1 0 333.428 3.589 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000236751749 600561852 /nfs/dbraw/zinc/56/18/52/600561852.db2.gz YDZOIBUWZZHXIM-MSOLQXFVSA-N -1 0 325.408 3.655 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000740044755 600567214 /nfs/dbraw/zinc/56/72/14/600567214.db2.gz AQBJFJPRDCFAEB-AWEZNQCLSA-N -1 0 346.383 3.883 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)C[C@@H]2OCCc3ccccc32)ccc1F ZINC000740007251 600572749 /nfs/dbraw/zinc/57/27/49/600572749.db2.gz VHBSSZUGOPWOIH-INIZCTEOSA-N -1 0 344.342 3.558 20 0 EHADRM C[C@@H](CC(=O)[O-])SCC(=O)Nc1ccc(SC(F)F)cc1 ZINC000736552711 600585214 /nfs/dbraw/zinc/58/52/14/600585214.db2.gz QCBYVIUQNFBUAF-QMMMGPOBSA-N -1 0 335.397 3.536 20 0 EHADRM Cc1sc2nc([C@@H](C)S[C@@H](C)CC(=O)[O-])nc(N)c2c1C ZINC000738397471 600588972 /nfs/dbraw/zinc/58/89/72/600588972.db2.gz FLGPRWMWBBPQIM-IMTBSYHQSA-N -1 0 325.459 3.548 20 0 EHADRM C[C@H](CC(=O)[O-])SCC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000736552410 600590085 /nfs/dbraw/zinc/59/00/85/600590085.db2.gz MVPVMSHHADQDFA-FZKQIMNGSA-N -1 0 335.469 3.631 20 0 EHADRM O=C([O-])[C@H](CNC(=O)CC1CCCC1)Cc1cccc2ccccc21 ZINC000486378656 600599460 /nfs/dbraw/zinc/59/94/60/600599460.db2.gz UNNXAPIGJDKTGD-SFHVURJKSA-N -1 0 339.435 3.780 20 0 EHADRM Cc1cc(C(=O)CSC[C@@H](C)C(=O)[O-])c(C)n1CCC(C)C ZINC000738319306 600601548 /nfs/dbraw/zinc/60/15/48/600601548.db2.gz IGKTXBQYLPIIOE-GFCCVEGCSA-N -1 0 325.474 3.788 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)C[C@@H]1C=CCC1)Cc1cccc2ccccc21 ZINC000262838068 600601675 /nfs/dbraw/zinc/60/16/75/600601675.db2.gz SWCXNRAGEACZOQ-CRAIPNDOSA-N -1 0 337.419 3.556 20 0 EHADRM C[C@H](CC(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-])C1CC1 ZINC000736540935 600604152 /nfs/dbraw/zinc/60/41/52/600604152.db2.gz DUGFJKLCUGQBND-AUUYWEPGSA-N -1 0 339.435 3.636 20 0 EHADRM C/C(=C\C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-])C1CC1 ZINC000736121202 600604179 /nfs/dbraw/zinc/60/41/79/600604179.db2.gz PWQBNYQNBHZUOU-ATEOEAFZSA-N -1 0 337.419 3.556 20 0 EHADRM CC(C)[C@@H](SC[C@H](C)C(=O)[O-])C(=O)Nc1ccc2c(c1)CCC2 ZINC000736606795 600604609 /nfs/dbraw/zinc/60/46/09/600604609.db2.gz IMCNJGFSYAYBQM-BLLLJJGKSA-N -1 0 335.469 3.592 20 0 EHADRM Cc1cc(Cl)ccc1O[C@H](C)C(=O)N(CC(=O)[O-])c1ccccc1 ZINC000324223372 600604611 /nfs/dbraw/zinc/60/46/11/600604611.db2.gz QKNARNZXIDFBDN-CYBMUJFWSA-N -1 0 347.798 3.534 20 0 EHADRM CC(C)c1ccc(CCC(=O)N(CC(=O)[O-])c2ccccc2)cc1 ZINC000736512324 600604651 /nfs/dbraw/zinc/60/46/51/600604651.db2.gz ICKCYZLTWHKFSF-UHFFFAOYSA-N -1 0 325.408 3.860 20 0 EHADRM O=C([O-])CN(C(=O)Cc1c(Cl)cccc1Cl)c1ccccc1 ZINC000314559194 600605092 /nfs/dbraw/zinc/60/50/92/600605092.db2.gz LWWVUZQHQAABIP-UHFFFAOYSA-N -1 0 338.190 3.654 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)N(CC(=O)[O-])c1ccccc1 ZINC000337745593 600605465 /nfs/dbraw/zinc/60/54/65/600605465.db2.gz NTDUIJCUAKQJKL-AWEZNQCLSA-N -1 0 329.421 3.533 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)[C@@H]1CC=CCC1)Cc1ccc2ccccc2c1 ZINC000238179576 600605889 /nfs/dbraw/zinc/60/58/89/600605889.db2.gz QPAWJRIAJSIWQB-IEBWSBKVSA-N -1 0 337.419 3.556 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)N(CC(=O)[O-])c1ccccc1 ZINC000320238821 600606828 /nfs/dbraw/zinc/60/68/28/600606828.db2.gz WDKUBXWMBXCRRO-LBPRGKRZSA-N -1 0 349.839 3.938 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)C[C@H]1CCc2ccccc21 ZINC000675946536 600607822 /nfs/dbraw/zinc/60/78/22/600607822.db2.gz IUSYNYDFZNEOGE-GOSISDBHSA-N -1 0 337.419 3.610 20 0 EHADRM O=C([O-])c1cccc(Oc2ncnc3ccc(Br)cc32)c1 ZINC000740232722 600610698 /nfs/dbraw/zinc/61/06/98/600610698.db2.gz UGWRLSBLJHYJIW-UHFFFAOYSA-N -1 0 345.152 3.883 20 0 EHADRM CCc1[nH]c(C(=O)N[C@H](C)c2cccc(C)c2C)c(C)c1C(=O)[O-] ZINC000737241383 600611607 /nfs/dbraw/zinc/61/16/07/600611607.db2.gz NUAHJKCRMWLMGY-CYBMUJFWSA-N -1 0 328.412 3.692 20 0 EHADRM C[C@](NC(=O)CC(c1ccccc1)c1ccccc1)(C(=O)[O-])C1CC1 ZINC000237434485 600616507 /nfs/dbraw/zinc/61/65/07/600616507.db2.gz PDTVPDHLHRNXFN-OAQYLSRUSA-N -1 0 337.419 3.578 20 0 EHADRM C[C@@](NC(=O)CCCc1ccc(Cl)c(Cl)c1)(C(=O)[O-])C1CC1 ZINC000237713712 600617048 /nfs/dbraw/zinc/61/70/48/600617048.db2.gz LFYUYIXVONBYSC-INIZCTEOSA-N -1 0 344.238 3.686 20 0 EHADRM Cc1[nH]c(C(=O)Nc2ccccc2OC(C)(C)C)c(C)c1C(=O)[O-] ZINC000738156652 600623254 /nfs/dbraw/zinc/62/32/54/600623254.db2.gz LKGOVYZAVXUGMV-UHFFFAOYSA-N -1 0 330.384 3.759 20 0 EHADRM C[C@H]1CCC[C@@H](OCC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC000736777014 600623347 /nfs/dbraw/zinc/62/33/47/600623347.db2.gz UOOMTAOCRGNYJU-IINYFYTJSA-N -1 0 325.792 3.572 20 0 EHADRM CC[C@@H]1CCCCCN1C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000391223975 600623368 /nfs/dbraw/zinc/62/33/68/600623368.db2.gz NIDFITZWEJVBKS-SNVBAGLBSA-N -1 0 326.343 3.850 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)CN(C)C(=O)[O-])[C@@H]1CCC[C@@H](C)C1 ZINC000738758218 600623918 /nfs/dbraw/zinc/62/39/18/600623918.db2.gz LREFCFIKARGOCU-DDUZABMNSA-N -1 0 332.444 3.588 20 0 EHADRM CCCN(CCc1cccc(F)c1)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000237011541 600624289 /nfs/dbraw/zinc/62/42/89/600624289.db2.gz RUHXOLGPSHOESS-UHFFFAOYSA-N -1 0 329.371 3.619 20 0 EHADRM CC[C@@H](C)c1ccc(OS(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1 ZINC000736892039 600645624 /nfs/dbraw/zinc/64/56/24/600645624.db2.gz RWWRSVNETOTNKK-CYBMUJFWSA-N -1 0 348.420 3.595 20 0 EHADRM CCN(C(=O)c1nc(C(C)C)ncc1Cl)c1ccccc1C(=O)[O-] ZINC000737061819 600647154 /nfs/dbraw/zinc/64/71/54/600647154.db2.gz KLJNKENPFKSYBI-UHFFFAOYSA-N -1 0 347.802 3.618 20 0 EHADRM Cc1oc(CN(C)C(=O)NCC[C@H]2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC000738967913 600647904 /nfs/dbraw/zinc/64/79/04/600647904.db2.gz SWHOQNJVYDDLJF-TZMCWYRMSA-N -1 0 336.432 3.644 20 0 EHADRM CC(C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000179953313 600652965 /nfs/dbraw/zinc/65/29/65/600652965.db2.gz FKILNCXMQUNVCK-KGLIPLIRSA-N -1 0 346.427 3.501 20 0 EHADRM Cc1cccc(C2(NC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)CCCC2)c1 ZINC000498635095 600665823 /nfs/dbraw/zinc/66/58/23/600665823.db2.gz NCVJMUWXPOZVIG-HZPDHXFCSA-N -1 0 329.440 3.772 20 0 EHADRM CCc1cc2c(ncnc2NC[C@H](C(=O)[O-])c2ccccc2)s1 ZINC000390637798 600670586 /nfs/dbraw/zinc/67/05/86/600670586.db2.gz KFSQKJIPSPXPIY-AWEZNQCLSA-N -1 0 327.409 3.534 20 0 EHADRM O=C([O-])c1cc(NCc2csc(Br)c2)ccc1F ZINC000037088672 600674501 /nfs/dbraw/zinc/67/45/01/600674501.db2.gz JEFLKFMVHQLIOB-UHFFFAOYSA-N -1 0 330.178 3.960 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)/C=C\c1nc2ccccc2s1 ZINC000739892398 600676266 /nfs/dbraw/zinc/67/62/66/600676266.db2.gz PMNMWNKWYKAQIM-KTKRTIGZSA-N -1 0 339.372 3.542 20 0 EHADRM CC(C)[C@H](C)C(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000826677617 600676448 /nfs/dbraw/zinc/67/64/48/600676448.db2.gz VVWZBGUSMTTWKH-NSHDSACASA-N -1 0 333.409 3.844 20 0 EHADRM Cc1cc(OS(=O)(=O)c2csc(C(=O)[O-])c2)ccc1C(C)C ZINC000738474620 600686526 /nfs/dbraw/zinc/68/65/26/600686526.db2.gz PBNNCXKHDGLIST-UHFFFAOYSA-N -1 0 340.422 3.646 20 0 EHADRM Cc1cc(COC(=O)CCc2c[nH]c3c2cccc3C)oc1C(=O)[O-] ZINC000832884883 600686597 /nfs/dbraw/zinc/68/65/97/600686597.db2.gz HBZUNQNCSFPYPG-UHFFFAOYSA-N -1 0 341.363 3.752 20 0 EHADRM CC[C@H](C)c1ccc(OS(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000736891620 600688725 /nfs/dbraw/zinc/68/87/25/600688725.db2.gz PJPGQMIJDMXGRU-JTQLQIEISA-N -1 0 340.422 3.728 20 0 EHADRM CCCN(C(=O)c1ccc(NC(=O)[O-])cc1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000737008162 600692841 /nfs/dbraw/zinc/69/28/41/600692841.db2.gz DOCPBWNEBFZJRQ-JKSUJKDBSA-N -1 0 348.443 3.832 20 0 EHADRM CCOc1ccccc1CCc1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000830109996 600692947 /nfs/dbraw/zinc/69/29/47/600692947.db2.gz VZCVCUXKZQKINX-UHFFFAOYSA-N -1 0 338.363 3.619 20 0 EHADRM O=C([O-])c1ccc(-c2noc([C@H]3C[C@@H]3c3cccc(F)c3F)n2)cc1 ZINC000833309068 600693290 /nfs/dbraw/zinc/69/32/90/600693290.db2.gz XRPZXKHJNXJMDD-OLZOCXBDSA-N -1 0 342.301 3.984 20 0 EHADRM O=C([O-])c1cccc(-c2noc(-c3ccc(Br)cc3)n2)c1 ZINC000041722121 600694768 /nfs/dbraw/zinc/69/47/68/600694768.db2.gz MDIWWSQBGSSQOG-UHFFFAOYSA-N -1 0 345.152 3.864 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2Cl)s1 ZINC000432119580 600699683 /nfs/dbraw/zinc/69/96/83/600699683.db2.gz GVFJFBHJPVEWNW-XVKPBYJWSA-N -1 0 339.775 3.525 20 0 EHADRM CCOc1ccc2cc(-c3nc(-c4cccc(C(=O)[O-])c4)no3)[nH]c2c1 ZINC000830094697 600700036 /nfs/dbraw/zinc/70/00/36/600700036.db2.gz YAWGPTUBZKFOAM-UHFFFAOYSA-N -1 0 349.346 3.982 20 0 EHADRM O=C([O-])c1cccc(-c2noc(C[C@H]3CCOc4ccccc43)n2)c1 ZINC000833328171 600700971 /nfs/dbraw/zinc/70/09/71/600700971.db2.gz ZLPDVTOXQRODRS-GFCCVEGCSA-N -1 0 336.347 3.544 20 0 EHADRM CC(C)[C@H](OC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000826717267 600703756 /nfs/dbraw/zinc/70/37/56/600703756.db2.gz PMOSBBTWPWYWAX-XQQFMLRXSA-N -1 0 331.195 3.749 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@@H]1CCSc2ccccc21)c1ccccc1F ZINC000833349149 600710846 /nfs/dbraw/zinc/71/08/46/600710846.db2.gz BSPPTJCRGSHAIH-MLGOLLRUSA-N -1 0 346.379 3.774 20 0 EHADRM Cc1cc(COC(=O)c2cccc(-c3cscn3)c2)oc1C(=O)[O-] ZINC000832886193 600724949 /nfs/dbraw/zinc/72/49/49/600724949.db2.gz VQNYTEKXIYTLTP-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM O=C([O-])c1ccc([C@H]2Nc3ccc(Cl)cc3C(=O)N2CC2CC2)o1 ZINC000740122416 600728643 /nfs/dbraw/zinc/72/86/43/600728643.db2.gz CMDKWCJOYRUZNS-HNNXBMFYSA-N -1 0 346.770 3.608 20 0 EHADRM O=C([O-])[C@@H](Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1Cl ZINC000833170269 600731869 /nfs/dbraw/zinc/73/18/69/600731869.db2.gz OYJMSZNAYCJBLS-AWEZNQCLSA-N -1 0 340.162 3.960 20 0 EHADRM C[C@@H](CCc1ccccc1)OC(=O)c1ccc(NC(=O)[O-])c(O)c1 ZINC000827428619 600732096 /nfs/dbraw/zinc/73/20/96/600732096.db2.gz ZEHYCXRTJKEEKQ-LBPRGKRZSA-N -1 0 329.352 3.660 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)OCc2cc(C(=O)[O-])co2)cc1 ZINC000736512607 600734411 /nfs/dbraw/zinc/73/44/11/600734411.db2.gz KADGMCDKDFPAIQ-DLBZAZTESA-N -1 0 328.364 3.948 20 0 EHADRM CSc1ccc(O[C@H](C)C(=O)O[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000738210952 600734653 /nfs/dbraw/zinc/73/46/53/600734653.db2.gz DWFJOQRIQZQSCX-MLGOLLRUSA-N -1 0 346.404 3.545 20 0 EHADRM O=C([O-])[C@H](Nc1cccc(OC[C@H]2CCCO2)c1)c1ccccc1F ZINC000833169628 600736338 /nfs/dbraw/zinc/73/63/38/600736338.db2.gz LGNHXLRAILLKJS-CRAIPNDOSA-N -1 0 345.370 3.621 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccc(OC2CCC2)cc1)c1ccccc1F ZINC000833351241 600736474 /nfs/dbraw/zinc/73/64/74/600736474.db2.gz JYQMIZUEJXCBLD-KRWDZBQOSA-N -1 0 344.338 3.740 20 0 EHADRM C[C@H]1CC[C@H](CCC(=O)OCc2c3ccccc3sc2C(=O)[O-])O1 ZINC000828226196 600736833 /nfs/dbraw/zinc/73/68/33/600736833.db2.gz PVDCDWZHQZYDLQ-NWDGAFQWSA-N -1 0 348.420 3.990 20 0 EHADRM O=C([O-])[C@@H](Nc1cccc(N2CCCCC2=O)c1)c1ccccc1F ZINC000833168439 600737394 /nfs/dbraw/zinc/73/73/94/600737394.db2.gz AYVJURARPLLJCX-SFHVURJKSA-N -1 0 342.370 3.580 20 0 EHADRM Cc1ccc(NC(=O)C(C)C)cc1N[C@@H](C(=O)[O-])c1ccccc1F ZINC000832943093 600738623 /nfs/dbraw/zinc/73/86/23/600738623.db2.gz PDMOKBUOPQAVNE-QGZVFWFLSA-N -1 0 344.386 3.966 20 0 EHADRM CCOC(=O)Nc1ccc(N[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000829866006 600739318 /nfs/dbraw/zinc/73/93/18/600739318.db2.gz NQKADAIKLMSNCR-OAHLLOKOSA-N -1 0 332.331 3.632 20 0 EHADRM O=C([O-])[C@H](Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccccc1F ZINC000833169650 600739911 /nfs/dbraw/zinc/73/99/11/600739911.db2.gz LRBQJBAANUJODH-CRAIPNDOSA-N -1 0 345.370 3.621 20 0 EHADRM CC(C)Nc1ncccc1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000826984507 600775560 /nfs/dbraw/zinc/77/55/60/600775560.db2.gz XVEUHIHPERJOJQ-UHFFFAOYSA-N -1 0 341.411 3.516 20 0 EHADRM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000832856971 600775831 /nfs/dbraw/zinc/77/58/31/600775831.db2.gz WVFUIRARLMPRQA-JKSUJKDBSA-N -1 0 348.487 3.928 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2C[C@@]23CCc2ccccc23)ccc1Cl ZINC000685019931 600784552 /nfs/dbraw/zinc/78/45/52/600784552.db2.gz IEUTVBOKSQZOFV-DNVCBOLYSA-N -1 0 341.794 3.881 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)c1 ZINC000238041000 600784616 /nfs/dbraw/zinc/78/46/16/600784616.db2.gz DBBRXIKXKUAHCM-FOIQADDNSA-N -1 0 339.366 3.757 20 0 EHADRM Cc1cccc2c(CC(=O)OCc3ccc(F)cc3C(=O)[O-])c[nH]c21 ZINC000738747254 600806428 /nfs/dbraw/zinc/80/64/28/600806428.db2.gz FNJAYZWQAOQLLK-UHFFFAOYSA-N -1 0 341.338 3.600 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc(F)cc(F)c1)c1cccc(Cl)c1 ZINC000776672662 600806635 /nfs/dbraw/zinc/80/66/35/600806635.db2.gz ASPJHFIAMBKUDI-AWEZNQCLSA-N -1 0 339.725 3.564 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)c1ccncc1Cl)CCCC2 ZINC000387602755 600806766 /nfs/dbraw/zinc/80/67/66/600806766.db2.gz IRIIXZWWIQIHKK-UHFFFAOYSA-N -1 0 336.800 3.626 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ncc(-c2ccccc2)s1)C(=O)[O-] ZINC000826779837 600810782 /nfs/dbraw/zinc/81/07/82/600810782.db2.gz LYWZDIMDYSAUHX-CYBMUJFWSA-N -1 0 347.440 3.679 20 0 EHADRM O=C([O-])c1ccc(OCCNc2ccc3ccc(F)cc3n2)cc1 ZINC000833321273 600814946 /nfs/dbraw/zinc/81/49/46/600814946.db2.gz PQANLFGNMZELPZ-UHFFFAOYSA-N -1 0 326.327 3.563 20 0 EHADRM Cc1cccc2c(Cc3nc(-c4ccc(C(=O)[O-])cc4)no3)c[nH]c21 ZINC000738748662 600816185 /nfs/dbraw/zinc/81/61/85/600816185.db2.gz YZZIJLAYQQRORL-UHFFFAOYSA-N -1 0 333.347 3.815 20 0 EHADRM Cc1noc(C)c1CN(C)[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000833020963 600819951 /nfs/dbraw/zinc/81/99/51/600819951.db2.gz FWIPGGNXJJXMAJ-AWEZNQCLSA-N -1 0 343.210 3.856 20 0 EHADRM C[C@@H](CNc1nc(Cl)c(C(=O)[O-])s1)Oc1cccc(F)c1 ZINC000827513144 600820875 /nfs/dbraw/zinc/82/08/75/600820875.db2.gz XQLBVZLGKRHCKI-ZETCQYMHSA-N -1 0 330.768 3.513 20 0 EHADRM COc1ccc(NC(=S)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC000738039727 600822201 /nfs/dbraw/zinc/82/22/01/600822201.db2.gz MWFFWMVZXIZVFU-UHFFFAOYSA-N -1 0 344.436 3.866 20 0 EHADRM COc1cc(NC(=O)[C@H]2C[C@H]2C2CCCCC2)c(C(=O)[O-])cc1OC ZINC000737892997 600823928 /nfs/dbraw/zinc/82/39/28/600823928.db2.gz UMHADEQNOSQLRZ-STQMWFEESA-N -1 0 347.411 3.557 20 0 EHADRM CCCN(CCOc1ccc(C(=O)[O-])cc1Cl)CC(F)(F)F ZINC000652396483 600828837 /nfs/dbraw/zinc/82/88/37/600828837.db2.gz CAQVVIIJQSAIQV-UHFFFAOYSA-N -1 0 339.741 3.691 20 0 EHADRM C[C@H]1CCC[C@@H](C(=O)Oc2ccc(C(=O)[O-])cc2Br)C1 ZINC000736773207 600829357 /nfs/dbraw/zinc/82/93/57/600829357.db2.gz BHELRMKKLLDUER-GXSJLCMTSA-N -1 0 341.201 3.879 20 0 EHADRM O=C([O-])[C@@H](Sc1nnc(-c2cccs2)o1)c1ccccc1F ZINC000833170835 600834628 /nfs/dbraw/zinc/83/46/28/600834628.db2.gz SYZNWYXXZHARKX-NSHDSACASA-N -1 0 336.369 3.855 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000739739201 600836953 /nfs/dbraw/zinc/83/69/53/600836953.db2.gz FYRYKSYZOHQWOW-SJORKVTESA-N -1 0 331.412 3.695 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000740066251 600840384 /nfs/dbraw/zinc/84/03/84/600840384.db2.gz OZLUSKNFVRWVLN-MWLCHTKSSA-N -1 0 335.281 3.544 20 0 EHADRM Cc1cccc2c(CCC(=O)Nc3cccc(F)c3C(=O)[O-])c[nH]c21 ZINC000738747133 600840386 /nfs/dbraw/zinc/84/03/86/600840386.db2.gz BWETWCPVLSLJLJ-UHFFFAOYSA-N -1 0 340.354 3.885 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)C1 ZINC000237599346 600841552 /nfs/dbraw/zinc/84/15/52/600841552.db2.gz JMINHCYDHXDYEA-OCCSQVGLSA-N -1 0 339.382 3.594 20 0 EHADRM CC/C(=C\C(=O)N(C)c1nc(CC(=O)[O-])cs1)c1ccc(C)cc1 ZINC000736836161 600843083 /nfs/dbraw/zinc/84/30/83/600843083.db2.gz PZMHFDMPLBHCQO-UKTHLTGXSA-N -1 0 344.436 3.535 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)[C@@H]2C[C@H]2C2CCCCC2)cc1 ZINC000740017065 600844851 /nfs/dbraw/zinc/84/48/51/600844851.db2.gz LVDLAEVAZBJFCG-DLBZAZTESA-N -1 0 330.428 3.652 20 0 EHADRM C[C@@H](CC(=O)NC(C)(C)CC(=O)[O-])c1ccccc1C(F)(F)F ZINC000736541571 600845407 /nfs/dbraw/zinc/84/54/07/600845407.db2.gz LYCCVEPWHQWBFR-JTQLQIEISA-N -1 0 331.334 3.569 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000736903071 600845467 /nfs/dbraw/zinc/84/54/67/600845467.db2.gz GGBSFUMBZDSTCZ-SJORKVTESA-N -1 0 337.419 3.860 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)C(F)(F)c2ccc(F)cc2)c2ccccc21 ZINC000739639615 600849539 /nfs/dbraw/zinc/84/95/39/600849539.db2.gz ASDFFRMZLNUEAN-LLVKDONJSA-N -1 0 349.308 3.523 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000776630283 600851538 /nfs/dbraw/zinc/85/15/38/600851538.db2.gz FTYLPTMBTFXYHF-RBOXIYTFSA-N -1 0 337.391 3.836 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000237328125 600853095 /nfs/dbraw/zinc/85/30/95/600853095.db2.gz CLFCMEBPDCXWDG-WFASDCNBSA-N -1 0 349.427 3.788 20 0 EHADRM Cc1ccc(CCC(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c(C)c1 ZINC000738588419 600854645 /nfs/dbraw/zinc/85/46/45/600854645.db2.gz FMAJHSQQZVVNGO-QGZVFWFLSA-N -1 0 337.419 3.841 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)Cc2ccc3c(c2)CCCC3)c2ccccc21 ZINC000739645314 600854815 /nfs/dbraw/zinc/85/48/15/600854815.db2.gz CFBHGPCWLQGOEC-SFHVURJKSA-N -1 0 349.430 3.713 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)[C@@H]2SCCc3ccccc32)cc1 ZINC000833290175 600862626 /nfs/dbraw/zinc/86/26/26/600862626.db2.gz PAOGXHSXGWTMDZ-OAHLLOKOSA-N -1 0 329.377 3.713 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000261908396 600876692 /nfs/dbraw/zinc/87/66/92/600876692.db2.gz GCUBMGJGMGXUFR-FFSVYQOJSA-N -1 0 337.391 3.836 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@H]2SCCc3sccc32)cc1 ZINC000238048925 600877996 /nfs/dbraw/zinc/87/79/96/600877996.db2.gz YZTPNXDCFFXGFE-INIZCTEOSA-N -1 0 347.461 3.734 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000621557856 600880130 /nfs/dbraw/zinc/88/01/30/600880130.db2.gz QYRVWORQWFIXOR-VHSSKADRSA-N -1 0 345.439 3.601 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2ccccc2OC(F)F)cc1 ZINC000327167757 600881280 /nfs/dbraw/zinc/88/12/80/600881280.db2.gz RSBWTMMDDCSXBM-UHFFFAOYSA-N -1 0 349.333 3.903 20 0 EHADRM C[C@H]1CCCC[C@H]1OCC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000262709436 600882238 /nfs/dbraw/zinc/88/22/38/600882238.db2.gz FBKXGZDJNMOINV-XJKSGUPXSA-N -1 0 333.428 3.583 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000263264903 600884263 /nfs/dbraw/zinc/88/42/63/600884263.db2.gz NIAIHVNRUVHUAD-UHFFFAOYSA-N -1 0 344.386 3.577 20 0 EHADRM Cc1cc([C@@H](NC(=O)CCC(=O)[O-])c2ccccc2Cl)ccc1F ZINC000738218764 600884445 /nfs/dbraw/zinc/88/44/45/600884445.db2.gz WOVQBICUNSFGJG-GOSISDBHSA-N -1 0 349.789 3.858 20 0 EHADRM CC(C)[C@H](C(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccccc1 ZINC000826676135 600887382 /nfs/dbraw/zinc/88/73/82/600887382.db2.gz DXMQCPFPUUBDRK-KRWDZBQOSA-N -1 0 326.396 3.833 20 0 EHADRM CCCCOc1ccc(OC)cc1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000262566102 600888666 /nfs/dbraw/zinc/88/86/66/600888666.db2.gz LKZHTRSMSCONTH-KGLIPLIRSA-N -1 0 349.427 3.704 20 0 EHADRM C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1)C(F)(F)F ZINC000825994184 600890945 /nfs/dbraw/zinc/89/09/45/600890945.db2.gz CXBQRZOBKBMLGX-MFKMUULPSA-N -1 0 345.361 3.815 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)s1 ZINC000386262042 600898898 /nfs/dbraw/zinc/89/88/98/600898898.db2.gz YTHPVTLIVDXEGD-UHFFFAOYSA-N -1 0 329.299 3.646 20 0 EHADRM C[C@@H](CC(=O)N[C@H](C(=O)[O-])C(C)(C)C)c1ccccc1C(F)(F)F ZINC000675986070 600906402 /nfs/dbraw/zinc/90/64/02/600906402.db2.gz GVBQBZQBGYLBKJ-IINYFYTJSA-N -1 0 345.361 3.815 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(F)c(Cl)c1 ZINC000245731199 600908849 /nfs/dbraw/zinc/90/88/49/600908849.db2.gz QFSPTBLZIHLARM-ZMLRMANQSA-N -1 0 327.783 3.547 20 0 EHADRM CSc1ccc(C)c(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c1 ZINC000391828823 600908885 /nfs/dbraw/zinc/90/88/85/600908885.db2.gz WVLGEGCBDYGKAS-CYBMUJFWSA-N -1 0 341.432 3.936 20 0 EHADRM CCCN(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)[C@@H](C)c1ccccc1OC ZINC000829453763 600914026 /nfs/dbraw/zinc/91/40/26/600914026.db2.gz YUZFFJCUDKOFES-ARFHVFGLSA-N -1 0 347.455 3.886 20 0 EHADRM CC(C)C[C@@H](CNC(=O)c1cccc(Nc2ccccc2)c1)C(=O)[O-] ZINC000736410291 600919644 /nfs/dbraw/zinc/91/96/44/600919644.db2.gz XYBZMBMPOGBYBQ-INIZCTEOSA-N -1 0 340.423 3.907 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000391306868 600923433 /nfs/dbraw/zinc/92/34/33/600923433.db2.gz SWTBNZJGJFNOST-LLVKDONJSA-N -1 0 337.803 3.871 20 0 EHADRM CC(C)C[C@@H](CNC(=O)c1ccccc1SC(F)(F)F)C(=O)[O-] ZINC000391304477 600924548 /nfs/dbraw/zinc/92/45/48/600924548.db2.gz UMSYNQWPZGPPTD-JTQLQIEISA-N -1 0 349.374 3.775 20 0 EHADRM CC(C)C[C@@H](CNC(=O)C1(c2cccs2)CCCCC1)C(=O)[O-] ZINC000486305144 600925674 /nfs/dbraw/zinc/92/56/74/600925674.db2.gz POUNDXFBYQSYRG-AWEZNQCLSA-N -1 0 337.485 3.813 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cc3ccsc3[nH]2)cc1 ZINC000736228078 600932154 /nfs/dbraw/zinc/93/21/54/600932154.db2.gz FWOPMUWYWNPBFN-UHFFFAOYSA-N -1 0 328.393 3.844 20 0 EHADRM CC[C@@]1(C)CCCN(C(=O)c2ccccc2S[C@H](C)C(=O)[O-])C1 ZINC000192967040 600932569 /nfs/dbraw/zinc/93/25/69/600932569.db2.gz OHZZAORHWFQVDT-ACJLOTCBSA-N -1 0 335.469 3.904 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)CCOc2ccccc2F)cc1 ZINC000269047422 600933186 /nfs/dbraw/zinc/93/31/86/600933186.db2.gz TVVKCMLBITVPLP-UHFFFAOYSA-N -1 0 345.370 3.596 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)[C@H](C)CCc2ccccc2F)c1 ZINC000832183221 600938986 /nfs/dbraw/zinc/93/89/86/600938986.db2.gz SUBLUPMUUKMFLJ-GFCCVEGCSA-N -1 0 346.354 3.707 20 0 EHADRM CCc1ccc(CCC(=O)N(CCC(=O)[O-])c2cccc(F)c2)cc1 ZINC000737260440 600940323 /nfs/dbraw/zinc/94/03/23/600940323.db2.gz LWVPPQKONJSUFH-UHFFFAOYSA-N -1 0 343.398 3.829 20 0 EHADRM Cc1ccc(-c2csc(NC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)n2)cc1 ZINC000832907080 600941883 /nfs/dbraw/zinc/94/18/83/600941883.db2.gz LTKZJFAKCSUILJ-UONOGXRCSA-N -1 0 344.436 3.948 20 0 EHADRM Cc1oc(COC(=O)[C@]2(C)CCc3ccccc3C2)cc1C(=O)[O-] ZINC000833027534 600942351 /nfs/dbraw/zinc/94/23/51/600942351.db2.gz UZBYBDMLJIYENQ-LJQANCHMSA-N -1 0 328.364 3.525 20 0 EHADRM Cc1cccc2c(CCC(=O)OCc3cccc(C(=O)[O-])c3)c[nH]c21 ZINC000832976321 600945091 /nfs/dbraw/zinc/94/50/91/600945091.db2.gz PWHWKZUNGXMWFM-UHFFFAOYSA-N -1 0 337.375 3.851 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000829009794 600945863 /nfs/dbraw/zinc/94/58/63/600945863.db2.gz QFLFSLNRXBVWLW-UNEWFSDZSA-N -1 0 334.412 3.593 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000647156714 600946033 /nfs/dbraw/zinc/94/60/33/600946033.db2.gz NXEYPIJEUPGRQS-RBSFLKMASA-N -1 0 335.831 3.547 20 0 EHADRM Cc1ccc(OC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)c(C(=O)[O-])c1 ZINC000832952755 600946508 /nfs/dbraw/zinc/94/65/08/600946508.db2.gz CHPPHDSAGBBMLR-NWDGAFQWSA-N -1 0 332.302 3.681 20 0 EHADRM COc1cccc(CCCN2C[C@H](CC(=O)[O-])c3ccccc32)c1 ZINC000738094141 600959172 /nfs/dbraw/zinc/95/91/72/600959172.db2.gz FEOAQFYUDZDYSW-INIZCTEOSA-N -1 0 325.408 3.706 20 0 EHADRM O=C([O-])c1ccc(C(=O)OCCc2ccc(C(F)(F)F)cc2)s1 ZINC000833312000 600961392 /nfs/dbraw/zinc/96/13/92/600961392.db2.gz KPTOIMNOZWPXOM-UHFFFAOYSA-N -1 0 344.310 3.865 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)sc1C(=O)[O-] ZINC000832892779 600965602 /nfs/dbraw/zinc/96/56/02/600965602.db2.gz DYKFVDXFENHFIQ-IFXJQAMLSA-N -1 0 341.432 3.987 20 0 EHADRM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccc(C(=O)[O-])nc2)o1 ZINC000236972904 600967481 /nfs/dbraw/zinc/96/74/81/600967481.db2.gz APRHYMGALMPPKN-LRDDRELGSA-N -1 0 342.395 3.549 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000829004869 600968322 /nfs/dbraw/zinc/96/83/22/600968322.db2.gz QUBNOPGPVKDDPF-VBQJREDUSA-N -1 0 333.428 3.722 20 0 EHADRM C[C@@H]1CN(Cc2ccc(F)cc2C(=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000565662932 600971598 /nfs/dbraw/zinc/97/15/98/600971598.db2.gz RNRFSTNQVYNOGC-XIKOKIGWSA-N -1 0 347.361 3.625 20 0 EHADRM CCC(CC)(CNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000498654310 600975432 /nfs/dbraw/zinc/97/54/32/600975432.db2.gz UVFBAXAYMNEEOM-JKSUJKDBSA-N -1 0 331.456 3.752 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)o1 ZINC000245651647 600977700 /nfs/dbraw/zinc/97/77/00/600977700.db2.gz CSLPXJMTTGZOJG-MIGQKNRLSA-N -1 0 333.428 3.779 20 0 EHADRM Cc1ccccc1-c1cnc(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])o1 ZINC000832975771 600981742 /nfs/dbraw/zinc/98/17/42/600981742.db2.gz ZZGLDUOJFOVWNF-GOSISDBHSA-N -1 0 348.402 3.662 20 0 EHADRM Cc1cc(CN(C)[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)no1 ZINC000566743313 600985997 /nfs/dbraw/zinc/98/59/97/600985997.db2.gz QRXLDJRFSQOHDM-ZDUSSCGKSA-N -1 0 329.183 3.548 20 0 EHADRM Cc1ccccc1NC(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000832978350 600994040 /nfs/dbraw/zinc/99/40/40/600994040.db2.gz AOMIWIFADZRXEP-HNNXBMFYSA-N -1 0 332.787 3.986 20 0 EHADRM Cc1ccc(NC(=O)NC[C@H](C(=O)[O-])c2ccccc2)cc1Cl ZINC000320819324 600994103 /nfs/dbraw/zinc/99/41/03/600994103.db2.gz YEYXTTPFXATVND-AWEZNQCLSA-N -1 0 332.787 3.638 20 0 EHADRM Cc1nc(-c2cccc(CNC(=O)OC(C)(C)C)c2)sc1C(=O)[O-] ZINC000832991906 600994130 /nfs/dbraw/zinc/99/41/30/600994130.db2.gz WHMDWFNYIWJVFO-UHFFFAOYSA-N -1 0 348.424 3.841 20 0 EHADRM CC(=O)c1cccc(NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000327541714 600995670 /nfs/dbraw/zinc/99/56/70/600995670.db2.gz LGXKNWOTVHEXCD-UHFFFAOYSA-N -1 0 340.379 3.895 20 0 EHADRM Cc1cccc(O[C@H](C)CNC(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000832973215 600997445 /nfs/dbraw/zinc/99/74/45/600997445.db2.gz QSGDFSUIDFSDBA-CQSZACIVSA-N -1 0 342.395 3.591 20 0 EHADRM COc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)c(C)c1 ZINC000737932409 600998064 /nfs/dbraw/zinc/99/80/64/600998064.db2.gz TXAJPQDCQMPMBA-UHFFFAOYSA-N -1 0 345.420 3.894 20 0 EHADRM CCO[C@H]1C[C@H](NC(=O)Nc2cc(C(=O)[O-])ccc2C)C12CCCC2 ZINC000829925127 600998629 /nfs/dbraw/zinc/99/86/29/600998629.db2.gz NPPJHXANGBDFNW-HOTGVXAUSA-N -1 0 346.427 3.553 20 0 EHADRM O=C([O-])[C@H](c1ccccc1F)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000582910797 600998716 /nfs/dbraw/zinc/99/87/16/600998716.db2.gz VLVBPAMWJZUQBW-SJORKVTESA-N -1 0 349.789 3.678 20 0 EHADRM Cc1ccc2[nH]c3c(c2c1)CN([C@@H](C(=O)[O-])c1ccccc1F)CC3 ZINC000832958646 600999208 /nfs/dbraw/zinc/99/92/08/600999208.db2.gz FBULGZDYALTMLR-LJQANCHMSA-N -1 0 338.382 3.799 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc2cccc(F)c2o1)c1cccs1 ZINC000675951014 600999288 /nfs/dbraw/zinc/99/92/88/600999288.db2.gz OIYQQUNSMRXJLO-NSHDSACASA-N -1 0 333.340 3.579 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)[C@H]1CCSc2ccccc21 ZINC000740189767 600999951 /nfs/dbraw/zinc/99/99/51/600999951.db2.gz UJOKTCQJICYXRF-HNNXBMFYSA-N -1 0 339.416 3.554 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2CCSc3ccccc32)c(F)cc1F ZINC000740082455 601002011 /nfs/dbraw/zinc/00/20/11/601002011.db2.gz YSDOMVWKZSQJHQ-JTQLQIEISA-N -1 0 349.358 3.881 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2ncoc2-c2ccccc2Cl)o1 ZINC000740132924 601002817 /nfs/dbraw/zinc/00/28/17/601002817.db2.gz IWKWVGFVDPVNBG-UHFFFAOYSA-N -1 0 347.710 3.643 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1ccc(OC2CCCC2)cc1)C(=O)[O-] ZINC000826775194 601003928 /nfs/dbraw/zinc/00/39/28/601003928.db2.gz OAONQVNSFOQPNM-AWEZNQCLSA-N -1 0 348.443 3.876 20 0 EHADRM C[C@@H](C(=O)N1CCCC[C@H]1CC(=O)[O-])c1ccccc1C(F)(F)F ZINC000653320828 601004598 /nfs/dbraw/zinc/00/45/98/601004598.db2.gz XBALEFGVMUKOOY-NEPJUHHUSA-N -1 0 343.345 3.665 20 0 EHADRM CCC[C@@H]1[C@@H](C)CCCN1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000829246210 601005410 /nfs/dbraw/zinc/00/54/10/601005410.db2.gz XJQXRSREDGYNBS-XJKSGUPXSA-N -1 0 334.416 3.583 20 0 EHADRM C[C@H](CN(C(=O)[C@@H](C)c1ccccc1C(F)(F)F)C1CC1)C(=O)[O-] ZINC000736563404 601007429 /nfs/dbraw/zinc/00/74/29/601007429.db2.gz PKKIHMHYWMLDNX-MNOVXSKESA-N -1 0 343.345 3.521 20 0 EHADRM C[C@H](C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21)c1cccc(Cl)c1 ZINC000439716241 601011536 /nfs/dbraw/zinc/01/15/36/601011536.db2.gz HGWVZGOHWNHHKT-XHDPSFHLSA-N -1 0 329.783 3.659 20 0 EHADRM CCN(C(=O)C(F)(F)c1ccc(F)cc1)c1ccccc1C(=O)[O-] ZINC000737049337 601013433 /nfs/dbraw/zinc/01/34/33/601013433.db2.gz FGDGEAYFHHIZCY-UHFFFAOYSA-N -1 0 337.297 3.669 20 0 EHADRM CCCc1sc(C(=O)N(CC(=O)[O-])c2cccc(C)n2)cc1CC ZINC000737051828 601015738 /nfs/dbraw/zinc/01/57/38/601015738.db2.gz ZAPOFORLPVHDAV-UHFFFAOYSA-N -1 0 346.452 3.698 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC000736902660 601025044 /nfs/dbraw/zinc/02/50/44/601025044.db2.gz AVOOMLLZEYSLSH-INIZCTEOSA-N -1 0 343.398 3.902 20 0 EHADRM C[C@H](C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21)c1cccc(F)c1 ZINC000736200903 601025221 /nfs/dbraw/zinc/02/52/21/601025221.db2.gz SHDJWJVEHHUMOI-GXTWGEPZSA-N -1 0 327.355 3.534 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1cccc(-c2nccs2)c1)C(=O)[O-] ZINC000424465881 601027288 /nfs/dbraw/zinc/02/72/88/601027288.db2.gz GAGSHHXSKGFKDI-ZDUSSCGKSA-N -1 0 347.440 3.679 20 0 EHADRM Cc1cc(C)cc(C[C@@H](C)NC(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000738363129 601043930 /nfs/dbraw/zinc/04/39/30/601043930.db2.gz CYCBYLJPUMFLKB-CQSZACIVSA-N -1 0 326.396 3.754 20 0 EHADRM Cc1cc(NS(=O)(=O)c2cccc(C(C)C)c2)ccc1C(=O)[O-] ZINC000460824290 601048333 /nfs/dbraw/zinc/04/83/33/601048333.db2.gz QQDZJDHLJBTBKM-UHFFFAOYSA-N -1 0 333.409 3.617 20 0 EHADRM C[C@@H](CN(C)C(=O)C[C@@H](Cc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000262928404 601061757 /nfs/dbraw/zinc/06/17/57/601061757.db2.gz GBWHZCZZEQCRAP-QFBILLFUSA-N -1 0 339.435 3.582 20 0 EHADRM COc1ccc2sc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])c(C)c2c1 ZINC000262559225 601063525 /nfs/dbraw/zinc/06/35/25/601063525.db2.gz ZCHWUVXNTSZPST-GFCCVEGCSA-N -1 0 349.452 3.695 20 0 EHADRM COc1ccc(CCCC(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000237203423 601065306 /nfs/dbraw/zinc/06/53/06/601065306.db2.gz XHWLDCVUKMBEML-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM C[C@@H](CCOc1ccccc1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000237579135 601066202 /nfs/dbraw/zinc/06/62/02/601066202.db2.gz PKADPCFOYPJXLL-HNNXBMFYSA-N -1 0 341.407 3.748 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC000540703570 601067932 /nfs/dbraw/zinc/06/79/32/601067932.db2.gz IKPWKPOKPFFNKK-KBPBESRZSA-N -1 0 331.318 3.714 20 0 EHADRM CC/C(=C/C(=O)NC[C@H](C(=O)[O-])c1ccccc1)c1ccc(C)cc1 ZINC000736837385 601068590 /nfs/dbraw/zinc/06/85/90/601068590.db2.gz VTXOEPXVGJKLSM-AGWAZZAUSA-N -1 0 337.419 3.773 20 0 EHADRM Cc1cc(C)c(/C=C\C(=O)NC[C@H](C(=O)[O-])c2ccccc2)cc1C ZINC000738355439 601071472 /nfs/dbraw/zinc/07/14/72/601071472.db2.gz ITBHDODIGCXPNE-VJIACCKLSA-N -1 0 337.419 3.610 20 0 EHADRM CCC[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000829215482 601073801 /nfs/dbraw/zinc/07/38/01/601073801.db2.gz CPRHJMRPWQOTML-SSDOTTSWSA-N -1 0 347.184 3.597 20 0 EHADRM CCC[C@@H](C)c1cc(NC(=O)Nc2ccc(CNC(=O)[O-])cc2)n[nH]1 ZINC000829216191 601076230 /nfs/dbraw/zinc/07/62/30/601076230.db2.gz JUMHIEIMXYGGFS-LLVKDONJSA-N -1 0 345.403 3.725 20 0 EHADRM CCCCSCC(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC000829430692 601077296 /nfs/dbraw/zinc/07/72/96/601077296.db2.gz LBDBZUNWFBWFAI-UHFFFAOYSA-N -1 0 330.475 3.611 20 0 EHADRM Cc1cc(F)cc(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)c1 ZINC000832887524 601077765 /nfs/dbraw/zinc/07/77/65/601077765.db2.gz JASMKNMNOUWTFG-UHFFFAOYSA-N -1 0 336.388 3.839 20 0 EHADRM Cc1cc2[nH]c(C(=O)O[C@@H](C(=O)[O-])c3ccccc3F)cc2c(C)c1 ZINC000832873874 601078784 /nfs/dbraw/zinc/07/87/84/601078784.db2.gz BDPGUTJVZVNUCY-QGZVFWFLSA-N -1 0 341.338 3.907 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)N1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000827592469 601080121 /nfs/dbraw/zinc/08/01/21/601080121.db2.gz MMQMPSHCSOGWOH-ATZDWAIDSA-N -1 0 343.467 3.747 20 0 EHADRM C[C@H](C(=O)N1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-])c1cccc(F)c1 ZINC000825977216 601082323 /nfs/dbraw/zinc/08/23/23/601082323.db2.gz AWYLDSBPEYSYAS-OWQGQXMQSA-N -1 0 347.430 3.811 20 0 EHADRM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000357429560 601085628 /nfs/dbraw/zinc/08/56/28/601085628.db2.gz YJUBQTZSVVDUBH-PXAZEXFGSA-N -1 0 327.355 3.747 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)/C=C/c1ccsc1 ZINC000833176190 601091523 /nfs/dbraw/zinc/09/15/23/601091523.db2.gz BLGKZNMJNAVBPQ-ZWOPJXCPSA-N -1 0 333.453 3.643 20 0 EHADRM C[C@H](c1cccnc1)N(C)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000827956071 601092458 /nfs/dbraw/zinc/09/24/58/601092458.db2.gz DQCXESBJEUBTJR-CYBMUJFWSA-N -1 0 341.411 3.669 20 0 EHADRM O=C([O-])[C@@H](OC(=O)[C@@H]1CCCc2ccccc21)c1ccccc1F ZINC000833351335 601098306 /nfs/dbraw/zinc/09/83/06/601098306.db2.gz QACKCKYBQMBBOH-PBHICJAKSA-N -1 0 328.339 3.615 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])cc2)[C@@H]1c1cccc(F)c1 ZINC000237375310 601107848 /nfs/dbraw/zinc/10/78/48/601107848.db2.gz XXVBDRXZIHLGIB-PXAZEXFGSA-N -1 0 327.355 3.747 20 0 EHADRM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccccc1NC(=O)[O-] ZINC000828148658 601108237 /nfs/dbraw/zinc/10/82/37/601108237.db2.gz CJNYMZIWGRCZSP-GDBMZVCRSA-N -1 0 338.407 3.870 20 0 EHADRM O=C([O-])C[C@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])c2ccccc21 ZINC000325176426 601114159 /nfs/dbraw/zinc/11/41/59/601114159.db2.gz ASNPGJTXHCSOJE-NSHDSACASA-N -1 0 346.770 3.827 20 0 EHADRM CN(Cc1csc(-c2cccc(C(=O)[O-])c2)n1)Cc1nccs1 ZINC000830869822 601117001 /nfs/dbraw/zinc/11/70/01/601117001.db2.gz LGDVOOTYSYPXOL-UHFFFAOYSA-N -1 0 345.449 3.597 20 0 EHADRM C[C@H](CC(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1)C1CC1 ZINC000827391998 601121662 /nfs/dbraw/zinc/12/16/62/601121662.db2.gz QALLHSQTGZROBL-LLVKDONJSA-N -1 0 345.420 3.988 20 0 EHADRM Cc1ccc(SCCOC(=O)[C@H](CC(C)C)NC(=O)[O-])cc1C ZINC000832958018 601122069 /nfs/dbraw/zinc/12/20/69/601122069.db2.gz QAUYGQMQKJSIQW-HNNXBMFYSA-N -1 0 339.457 3.621 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)C(c1ccccc1)c1ccccc1 ZINC000828618606 601133125 /nfs/dbraw/zinc/13/31/25/601133125.db2.gz WYEVVGGJRLLIOJ-HXUWFJFHSA-N -1 0 325.408 3.578 20 0 EHADRM CCO[C@@H](CCNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)C(C)C ZINC000829917882 601133930 /nfs/dbraw/zinc/13/39/30/601133930.db2.gz KFLHYAKCBMVOKY-AWEZNQCLSA-N -1 0 342.823 3.611 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N(C2CC2)C2CCCC2)cc1 ZINC000826118379 601134489 /nfs/dbraw/zinc/13/44/89/601134489.db2.gz IHVNUKZJSGQCLO-UHFFFAOYSA-N -1 0 330.428 3.988 20 0 EHADRM Cc1ccc(NC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1C(=O)[O-] ZINC000832946082 601138889 /nfs/dbraw/zinc/13/88/89/601138889.db2.gz KDLQYIITQFMKOT-UHFFFAOYSA-N -1 0 349.390 3.765 20 0 EHADRM Cc1ccc2oc(C(=O)N(CC(=O)[O-])c3cccc(F)c3)cc2c1 ZINC000832960026 601144810 /nfs/dbraw/zinc/14/48/10/601144810.db2.gz LHINLRAHKSDMMI-UHFFFAOYSA-N -1 0 327.311 3.612 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCSc3ccc(Cl)cc32)C1 ZINC000833183110 601149855 /nfs/dbraw/zinc/14/98/55/601149855.db2.gz PODZUSLXNYNLDC-GHMZBOCLSA-N -1 0 339.844 3.670 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2cc(-c3ccccc3)ns2)C1 ZINC000833187578 601158048 /nfs/dbraw/zinc/15/80/48/601158048.db2.gz SBXYTLTVIGYLRJ-OLZOCXBDSA-N -1 0 330.409 3.640 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2cc(-c3ccccc3)ns2)C1 ZINC000833187570 601158143 /nfs/dbraw/zinc/15/81/43/601158143.db2.gz SBXYTLTVIGYLRJ-CHWSQXEVSA-N -1 0 330.409 3.640 20 0 EHADRM COc1ccc(OC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c2ccccc12 ZINC000832424357 601160177 /nfs/dbraw/zinc/16/01/77/601160177.db2.gz AUTPEMWHXKRWBU-QWHCGFSZSA-N -1 0 328.364 3.645 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cc2cccc(F)c2o1)c1ccccc1 ZINC000675998712 601165612 /nfs/dbraw/zinc/16/56/12/601165612.db2.gz IQXXGIKFDQKUOE-BZNIZROVSA-N -1 0 341.338 3.764 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000826026374 601165620 /nfs/dbraw/zinc/16/56/20/601165620.db2.gz NZOCSCFFRLEWQK-LVQBNPGGSA-N -1 0 341.451 3.781 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1csc(C(C)(C)C)n1)c1ccccc1 ZINC000262548977 601166606 /nfs/dbraw/zinc/16/66/06/601166606.db2.gz UKAPVYVIGCHTAS-SMDDNHRTSA-N -1 0 346.452 3.632 20 0 EHADRM Cc1cccc([C@H](C)C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000237666539 601171719 /nfs/dbraw/zinc/17/17/19/601171719.db2.gz UUTRAULLOORPAA-HDMKZQKVSA-N -1 0 325.408 3.677 20 0 EHADRM C[C@@H]1Sc2ccccc2N(C(=O)c2cccc(C(=O)[O-])c2)[C@H]1C ZINC000828520784 601173817 /nfs/dbraw/zinc/17/38/17/601173817.db2.gz BEOVDGDGXBXOIC-RYUDHWBXSA-N -1 0 327.405 3.914 20 0 EHADRM O=C([O-])c1sc2cccc(F)c2c1COC(=O)[C@H]1CCCS1 ZINC000833347373 601175376 /nfs/dbraw/zinc/17/53/76/601175376.db2.gz AUTVOGVPVCVJKZ-LLVKDONJSA-N -1 0 340.397 3.677 20 0 EHADRM O=C([O-])CC1(NC(=O)c2ccc(Cl)cc2Cl)CCCCC1 ZINC000084146437 601184795 /nfs/dbraw/zinc/18/47/95/601184795.db2.gz GWMZAIZARHVDSM-UHFFFAOYSA-N -1 0 330.211 3.901 20 0 EHADRM Cc1ccc(-c2nc(COC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)co2)cc1 ZINC000832908102 601184867 /nfs/dbraw/zinc/18/48/67/601184867.db2.gz FRWRGOJJXGLBSD-GJZGRUSLSA-N -1 0 343.379 3.584 20 0 EHADRM O=C([O-])c1sc2cccc(F)c2c1COC(=O)CCn1cccc1 ZINC000833103917 601193966 /nfs/dbraw/zinc/19/39/66/601193966.db2.gz MPVHTGJUNVCBNC-UHFFFAOYSA-N -1 0 347.367 3.674 20 0 EHADRM Cc1ccc(CCCC(=O)O[C@@H](C(=O)[O-])c2ccccc2F)s1 ZINC000832930054 601195305 /nfs/dbraw/zinc/19/53/05/601195305.db2.gz JPGSHKYUSHDNPN-MRXNPFEDSA-N -1 0 336.384 3.887 20 0 EHADRM CC[C@@H](Oc1ccccc1Cl)C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000829021250 601206624 /nfs/dbraw/zinc/20/66/24/601206624.db2.gz PIUOOTQVTQUSRL-OAHLLOKOSA-N -1 0 348.782 3.730 20 0 EHADRM CC[C@@H](CNc1nc(Cl)c(C(=O)[O-])s1)Oc1ccccc1F ZINC000828890311 601209570 /nfs/dbraw/zinc/20/95/70/601209570.db2.gz BNMOHOAVLMXUPM-QMMMGPOBSA-N -1 0 344.795 3.903 20 0 EHADRM Cc1cc(C)cc(OCCCNc2ccc(CNC(=O)[O-])cc2)c1 ZINC000832879104 601210061 /nfs/dbraw/zinc/21/00/61/601210061.db2.gz SPHGHBASYCOOMO-UHFFFAOYSA-N -1 0 328.412 3.952 20 0 EHADRM CO[C@H](C)c1nc(CNc2ccc(CN(C)C(=O)[O-])cc2)cs1 ZINC000831501825 601223259 /nfs/dbraw/zinc/22/32/59/601223259.db2.gz XENXNYQFYPMOPN-LLVKDONJSA-N -1 0 335.429 3.572 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)O[C@H](c2ccccc2)c2ccncc2)C1 ZINC000833189002 601237966 /nfs/dbraw/zinc/23/79/66/601237966.db2.gz POHAZJSSRHAHLK-KZNAEPCWSA-N -1 0 339.391 3.605 20 0 EHADRM Cc1ccc(C(=O)Nc2ccsc2C(=O)[O-])cc1Br ZINC000129373307 601267777 /nfs/dbraw/zinc/26/77/77/601267777.db2.gz GVGYJBPZOLQQAN-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)c1ccc(C(=O)[O-])nc1 ZINC000832853370 601272098 /nfs/dbraw/zinc/27/20/98/601272098.db2.gz HMKKGQHOZOCVPE-UHFFFAOYSA-N -1 0 342.395 3.656 20 0 EHADRM COc1cc(Cl)c(Cl)cc1C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000832004185 601276673 /nfs/dbraw/zinc/27/66/73/601276673.db2.gz ISSIYFMSSFXNTP-UHFFFAOYSA-N -1 0 346.210 3.519 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)C/C=C/c1cccc(F)c1)c1ccccc1 ZINC000139421789 601283534 /nfs/dbraw/zinc/28/35/34/601283534.db2.gz ATOXNJUISHBFMW-FZMUQLTDSA-N -1 0 341.382 3.951 20 0 EHADRM CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)c1ccnc(C(=O)[O-])c1 ZINC000236719508 601286861 /nfs/dbraw/zinc/28/68/61/601286861.db2.gz JCKLXLMXRIBJJJ-MRXNPFEDSA-N -1 0 346.814 3.903 20 0 EHADRM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)c2ccnc(C(=O)[O-])c2)cc1 ZINC000439789653 601289721 /nfs/dbraw/zinc/28/97/21/601289721.db2.gz FIRKMCIMFYSQRS-RDTXWAMCSA-N -1 0 338.407 3.702 20 0 EHADRM CSc1ccc(NC(=O)[C@@H](CC(C)C)NC(=O)[O-])cc1Cl ZINC000832781316 601293525 /nfs/dbraw/zinc/29/35/25/601293525.db2.gz SKTLCBPEGORJEM-LLVKDONJSA-N -1 0 330.837 3.683 20 0 EHADRM Cc1cc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c2ccccc2n1 ZINC000178172743 601295352 /nfs/dbraw/zinc/29/53/52/601295352.db2.gz SNSFAWMEDQKQEM-LIRRHRJNSA-N -1 0 348.402 3.735 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cc(Cl)ccc1F)c1ccccc1 ZINC000237673259 601298693 /nfs/dbraw/zinc/29/86/93/601298693.db2.gz GKVYZMLNQHFKNR-MEBBXXQBSA-N -1 0 335.762 3.671 20 0 EHADRM Cc1ccc(NCC(=O)Nc2ccccc2C(C)C)cc1C(=O)[O-] ZINC000832951974 601302659 /nfs/dbraw/zinc/30/26/59/601302659.db2.gz QFTNVNUUOWCLBI-UHFFFAOYSA-N -1 0 326.396 3.867 20 0 EHADRM Cc1cc(C)cc(NC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000832878371 601308568 /nfs/dbraw/zinc/30/85/68/601308568.db2.gz CKIOENMLJMAXNT-MRXNPFEDSA-N -1 0 330.359 3.780 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2ccc(C(=O)[O-])nc2)C(C)(C)C)c1 ZINC000832965491 601331279 /nfs/dbraw/zinc/33/12/79/601331279.db2.gz VOGWWIAGIHXJJX-INIZCTEOSA-N -1 0 326.396 3.605 20 0 EHADRM CCC(C)(C)OCc1cccc(NC(=O)CCCNC(=O)[O-])c1C ZINC000828612104 601331525 /nfs/dbraw/zinc/33/15/25/601331525.db2.gz OPOOJYHCBPGQAR-UHFFFAOYSA-N -1 0 336.432 3.687 20 0 EHADRM Cc1cccc([C@H](NC(=O)NC2CCN(C(=O)[O-])CC2)C(C)(C)C)c1 ZINC000832964545 601334051 /nfs/dbraw/zinc/33/40/51/601334051.db2.gz JOABRRJDDPCADA-INIZCTEOSA-N -1 0 347.459 3.524 20 0 EHADRM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000828149696 601335466 /nfs/dbraw/zinc/33/54/66/601335466.db2.gz MRORLFUOLOMHNB-SWLSCSKDSA-N -1 0 342.370 3.934 20 0 EHADRM CCOc1ccc(NC(=S)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000830084776 601338767 /nfs/dbraw/zinc/33/87/67/601338767.db2.gz MHNIWWGKTPUZTP-UHFFFAOYSA-N -1 0 330.409 3.901 20 0 EHADRM Cc1ccc(NC(=O)NC[C@H](c2cccnc2)C(C)C)cc1C(=O)[O-] ZINC000832944274 601338886 /nfs/dbraw/zinc/33/88/86/601338886.db2.gz AZLWSACEIVZNHK-KRWDZBQOSA-N -1 0 341.411 3.650 20 0 EHADRM COc1ccc(NC(=S)Nc2ccc(C)c(C(=O)[O-])c2)cc1F ZINC000832407641 601339052 /nfs/dbraw/zinc/33/90/52/601339052.db2.gz IUNNJSXJPMPGBO-UHFFFAOYSA-N -1 0 334.372 3.650 20 0 EHADRM O=C([O-])c1cnc(N(C(=O)C/C=C/c2ccc(F)cc2)C2CC2)s1 ZINC000833337821 601350751 /nfs/dbraw/zinc/35/07/51/601350751.db2.gz KBYFKTFUSDENTL-OWOJBTEDSA-N -1 0 346.383 3.579 20 0 EHADRM Cc1ccc(Cc2nc(COc3cccc(C(=O)[O-])c3)no2)cc1C ZINC000832933772 601365435 /nfs/dbraw/zinc/36/54/35/601365435.db2.gz FYEPUXHGYCWIGV-UHFFFAOYSA-N -1 0 338.363 3.554 20 0 EHADRM C[C@@H](C(=O)N(Cc1ccoc1C(=O)[O-])[C@@H](C)c1ccccn1)C1CC1 ZINC000825977398 601370792 /nfs/dbraw/zinc/37/07/92/601370792.db2.gz FXUMEJLXHSQKEC-OLZOCXBDSA-N -1 0 342.395 3.509 20 0 EHADRM C[C@H]1CCC[C@H](C)C1NC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000828234226 601381815 /nfs/dbraw/zinc/38/18/15/601381815.db2.gz WLHUCKGDMDJGOW-STQMWFEESA-N -1 0 333.432 3.743 20 0 EHADRM O=C([O-])Nc1cccc(N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)c1 ZINC000833290391 601392226 /nfs/dbraw/zinc/39/22/26/601392226.db2.gz UBMOFSAGERDYJK-OAHLLOKOSA-N -1 0 345.786 3.647 20 0 EHADRM CC1(C)CCC[C@H]1N(Cc1ccccc1)C(=S)NCCCC(=O)[O-] ZINC000828060600 601393818 /nfs/dbraw/zinc/39/38/18/601393818.db2.gz WYJAOQUYLITQLL-MRXNPFEDSA-N -1 0 348.512 3.807 20 0 EHADRM C[C@H](CC(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-])c1ccccc1F ZINC000237377242 601393953 /nfs/dbraw/zinc/39/39/53/601393953.db2.gz QPJZCABKRFBCFZ-LPMFXHHGSA-N -1 0 343.398 3.898 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CSc1nnc(C)n1-c1ccccc1 ZINC000830398597 601395582 /nfs/dbraw/zinc/39/55/82/601395582.db2.gz OWKSBYQAUQEBPW-UHFFFAOYSA-N -1 0 343.408 3.722 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000828758075 601407558 /nfs/dbraw/zinc/40/75/58/601407558.db2.gz GSUDOMWAEXAQPP-KDOFPFPSSA-N -1 0 341.407 3.762 20 0 EHADRM Cc1[nH]ccc1C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000630130342 601409648 /nfs/dbraw/zinc/40/96/48/601409648.db2.gz QGYDLSVNWFGVAD-MRXNPFEDSA-N -1 0 328.412 3.566 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN[C@@H](c1ccccc1)c1ccccn1 ZINC000830374333 601411428 /nfs/dbraw/zinc/41/14/28/601411428.db2.gz BXOIQXATUJKLDR-IBGZPJMESA-N -1 0 336.391 3.814 20 0 EHADRM COc1ccc2cc([C@H](C)C(=O)OC/C=C(/C)C(=O)[O-])ccc2c1 ZINC000832504933 601412176 /nfs/dbraw/zinc/41/21/76/601412176.db2.gz ZPVPDTVZUOPDIW-FSBNRTBOSA-N -1 0 328.364 3.526 20 0 EHADRM COc1ccc2cc([C@H](C)C(=O)OC/C=C(\C)C(=O)[O-])ccc2c1 ZINC000832504934 601412230 /nfs/dbraw/zinc/41/22/30/601412230.db2.gz ZPVPDTVZUOPDIW-RPHSKFLZSA-N -1 0 328.364 3.526 20 0 EHADRM C/C(=C\COC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000825786496 601412883 /nfs/dbraw/zinc/41/28/83/601412883.db2.gz KMOAQHYFMITXIP-RMKNXTFCSA-N -1 0 337.784 3.651 20 0 EHADRM CC(C)C[C@H](NC(=O)NCC1(C(=O)[O-])CCCC1)c1cccs1 ZINC000826792960 601421394 /nfs/dbraw/zinc/42/13/94/601421394.db2.gz JIAINRVNQWRXEO-ZDUSSCGKSA-N -1 0 338.473 3.780 20 0 EHADRM C/C(=C/COC(=O)C(C)(C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000825751726 601422543 /nfs/dbraw/zinc/42/25/43/601422543.db2.gz BUYJJRVADUPAHW-YFHOEESVSA-N -1 0 330.302 3.557 20 0 EHADRM O=C([O-])[C@H](Nc1ccc(OCC(F)F)cc1)c1ccccc1F ZINC000833171481 601433869 /nfs/dbraw/zinc/43/38/69/601433869.db2.gz ZBVMQSHSWVPLOK-OAHLLOKOSA-N -1 0 325.286 3.707 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cc3c(s2)-c2ccccc2CC3)CCC1 ZINC000362713095 601435945 /nfs/dbraw/zinc/43/59/45/601435945.db2.gz SENYTONKHSPBMS-UHFFFAOYSA-N -1 0 341.432 3.641 20 0 EHADRM CC[C@H](Oc1ccccc1F)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000829021833 601437103 /nfs/dbraw/zinc/43/71/03/601437103.db2.gz ZAYRFINJIQFJMB-AWEZNQCLSA-N -1 0 332.331 3.712 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F ZINC000237004494 601459743 /nfs/dbraw/zinc/45/97/43/601459743.db2.gz SLKAYHFQZAKGLV-BZNIZROVSA-N -1 0 345.361 3.959 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)c1sc(C(C)C)nc1C ZINC000830394176 601462729 /nfs/dbraw/zinc/46/27/29/601462729.db2.gz AIEVZCYYLRSOEP-UHFFFAOYSA-N -1 0 337.397 3.786 20 0 EHADRM Cc1ccc(-c2ocnc2C(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC000832909738 601467163 /nfs/dbraw/zinc/46/71/63/601467163.db2.gz ITCUUJSUKZDTNA-NSHDSACASA-N -1 0 341.319 3.859 20 0 EHADRM O=C([O-])[C@@H](OC(=O)C/C=C\c1ccc(F)cc1)c1ccc(F)cc1 ZINC000833097062 601470880 /nfs/dbraw/zinc/47/08/80/601470880.db2.gz ZMXXLYBWRQQIHR-YYZONTRBSA-N -1 0 332.302 3.737 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000825798555 601472710 /nfs/dbraw/zinc/47/27/10/601472710.db2.gz OGUGJKPBADNZAO-BLIJAFNYSA-N -1 0 332.302 3.737 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2ccc(OC3CCCC3)cc2)CCC1 ZINC000649537850 601477091 /nfs/dbraw/zinc/47/70/91/601477091.db2.gz RHXAMECUHLKFRP-UHFFFAOYSA-N -1 0 332.400 3.527 20 0 EHADRM Cc1cc(NC(=O)N2CCC(CCC(=O)[O-])CC2)ccc1OC(C)C ZINC000656602659 601486970 /nfs/dbraw/zinc/48/69/70/601486970.db2.gz KZCQYGZSHLBMSZ-UHFFFAOYSA-N -1 0 348.443 3.891 20 0 EHADRM C[C@@H]1CC/C(=C/C(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)C1 ZINC000828200135 601501570 /nfs/dbraw/zinc/50/15/70/601501570.db2.gz BYTIAGJEBXDERW-YGYTWAPGSA-N -1 0 337.366 3.515 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2cccc(CCC(F)(F)F)c2)n1 ZINC000833328555 601507804 /nfs/dbraw/zinc/50/78/04/601507804.db2.gz NZYDDHQWJAZDPE-UHFFFAOYSA-N -1 0 338.285 3.527 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1sc2cc(F)ccc2c1Cl)C1CC1 ZINC000317404939 601520022 /nfs/dbraw/zinc/52/00/22/601520022.db2.gz OICPYTGFXXXTHW-JTQLQIEISA-N -1 0 341.791 3.677 20 0 EHADRM CCc1cccc(C)c1NC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000236998996 601525319 /nfs/dbraw/zinc/52/53/19/601525319.db2.gz WLARSBPMGABCGT-UHFFFAOYSA-N -1 0 341.407 3.890 20 0 EHADRM Cc1ccc(SCC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000345772145 601581910 /nfs/dbraw/zinc/58/19/10/601581910.db2.gz IYBUTCBEEXBKMN-INIZCTEOSA-N -1 0 349.839 3.683 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(C(F)F)cc1)c1ccc(Cl)cc1 ZINC000833124479 601584986 /nfs/dbraw/zinc/58/49/86/601584986.db2.gz CNOQGHNYDOQFNP-ZDUSSCGKSA-N -1 0 339.725 3.833 20 0 EHADRM Cc1ccccc1CCC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000537365287 601587526 /nfs/dbraw/zinc/58/75/26/601587526.db2.gz LKLSEFLRNXQUEO-QGZVFWFLSA-N -1 0 331.799 3.523 20 0 EHADRM CSCc1cc(C(=O)OCc2cc(C(=O)[O-])oc2C)ccc1F ZINC000832766477 601590227 /nfs/dbraw/zinc/59/02/27/601590227.db2.gz ADSXLDGEGPHCTM-UHFFFAOYSA-N -1 0 338.356 3.645 20 0 EHADRM CSCc1cc(C(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)ccc1F ZINC000832766525 601590349 /nfs/dbraw/zinc/59/03/49/601590349.db2.gz BHCXEBCEPHGNGB-SECBINFHSA-N -1 0 338.356 3.898 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc(Oc2ccccc2Cl)cc1)C1CC1 ZINC000833125025 601598134 /nfs/dbraw/zinc/59/81/34/601598134.db2.gz FSACVFPAIPAFRF-MRXNPFEDSA-N -1 0 345.782 3.725 20 0 EHADRM O=C([O-])C1(CNC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)CCCC1 ZINC000678982066 601601772 /nfs/dbraw/zinc/60/17/72/601601772.db2.gz AZXVOBCQHFMLJV-QZTJIDSGSA-N -1 0 337.419 3.705 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)Nc1ccccc1Cl)c1ccccc1 ZINC000826039052 601603368 /nfs/dbraw/zinc/60/33/68/601603368.db2.gz LGSDJVNHXSUKCN-XHDPSFHLSA-N -1 0 332.787 3.924 20 0 EHADRM C[C@@H](CSc1ccc(F)cc1)C(=O)OCc1cc(C(=O)[O-])co1 ZINC000827580330 601609868 /nfs/dbraw/zinc/60/98/68/601609868.db2.gz ABVIBBGKWQJBBC-JTQLQIEISA-N -1 0 338.356 3.589 20 0 EHADRM Cc1ccc(NC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c(F)c1 ZINC000832948014 601615255 /nfs/dbraw/zinc/61/52/55/601615255.db2.gz YXBBAPMFEQXCAF-LRDDRELGSA-N -1 0 330.359 3.718 20 0 EHADRM CCc1ccccc1NC(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000830282416 601615390 /nfs/dbraw/zinc/61/53/90/601615390.db2.gz UVUVNLZLHWNWNF-GUYCJALGSA-N -1 0 326.396 3.833 20 0 EHADRM Cc1cc(OCC(=O)Nc2ccccc2CC(=O)[O-])ccc1C(C)C ZINC000236675115 601615971 /nfs/dbraw/zinc/61/59/71/601615971.db2.gz AMVIWSPUYHNJGK-UHFFFAOYSA-N -1 0 341.407 3.763 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(Oc2ccccc2Cl)cc1)C(=O)[O-] ZINC000827493518 601616092 /nfs/dbraw/zinc/61/60/92/601616092.db2.gz UJTHCSVQGNZOFC-LLVKDONJSA-N -1 0 348.786 3.975 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000236922650 601616504 /nfs/dbraw/zinc/61/65/04/601616504.db2.gz LMDFSHIKVPRFKN-CYBMUJFWSA-N -1 0 327.380 3.743 20 0 EHADRM Cc1cc(NC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])ccc1F ZINC000832894595 601623867 /nfs/dbraw/zinc/62/38/67/601623867.db2.gz FCIQJVQSOXHRIK-MLGOLLRUSA-N -1 0 330.359 3.718 20 0 EHADRM O=C([O-])[C@H]1CCCCN1C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000238051079 601627010 /nfs/dbraw/zinc/62/70/10/601627010.db2.gz CTNFBKVPAXHHPP-CYBMUJFWSA-N -1 0 333.384 3.634 20 0 EHADRM O=C([O-])[C@H]1CCCCN1C(=O)c1sc2cc(F)ccc2c1Cl ZINC000316888339 601630175 /nfs/dbraw/zinc/63/01/75/601630175.db2.gz WDGHQFZFEOINEW-SNVBAGLBSA-N -1 0 341.791 3.773 20 0 EHADRM C[C@@H]1CN(Cc2ccc(C(=O)[O-])c(F)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000568289189 601642765 /nfs/dbraw/zinc/64/27/65/601642765.db2.gz UONNYXFXRFBBMG-XIKOKIGWSA-N -1 0 347.361 3.625 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NCc1csc(-c2ccco2)n1)c1ccccc1 ZINC000826051200 601649977 /nfs/dbraw/zinc/64/99/77/601649977.db2.gz BIVDZJHTPLZDBY-BLLLJJGKSA-N -1 0 342.420 3.955 20 0 EHADRM Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000237640967 601662843 /nfs/dbraw/zinc/66/28/43/601662843.db2.gz QDAGXIAHWOGGQM-UHFFFAOYSA-N -1 0 339.391 3.532 20 0 EHADRM CCCCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(C(=O)[O-])s2)C1(C)C ZINC000236852095 601663626 /nfs/dbraw/zinc/66/36/26/601663626.db2.gz MAXJNFNKNJEIJB-UONOGXRCSA-N -1 0 339.457 3.502 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)C1 ZINC000369707972 601663792 /nfs/dbraw/zinc/66/37/92/601663792.db2.gz YFJHWDLFCUSMTO-JKSUJKDBSA-N -1 0 347.842 3.847 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)CCC(=O)c2ccc(F)c(F)c2)cc1 ZINC000833290260 601667427 /nfs/dbraw/zinc/66/74/27/601667427.db2.gz QSMVQASDADCGFX-UHFFFAOYSA-N -1 0 349.289 3.623 20 0 EHADRM Cc1ccc(-c2nc(SCc3ccc(C(=O)[O-])c(F)c3)n[nH]2)cc1 ZINC000832907863 601671924 /nfs/dbraw/zinc/67/19/24/601671924.db2.gz OSCWWZBFBBJURC-UHFFFAOYSA-N -1 0 343.383 3.910 20 0 EHADRM CC(C)C[C@@H](C)OCCC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000236747572 601678805 /nfs/dbraw/zinc/67/88/05/601678805.db2.gz CCAGLOTWJNFCLV-LLVKDONJSA-N -1 0 327.808 3.818 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)CCCc2csc3ccccc23)c1 ZINC000833099603 601684077 /nfs/dbraw/zinc/68/40/77/601684077.db2.gz SVIFZJKJZVXCSJ-UHFFFAOYSA-N -1 0 340.404 3.956 20 0 EHADRM CC(=O)c1ccccc1C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC000825963918 601688754 /nfs/dbraw/zinc/68/87/54/601688754.db2.gz JYJHJPZMWZDTPV-UHFFFAOYSA-N -1 0 346.408 3.594 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000679096211 601689483 /nfs/dbraw/zinc/68/94/83/601689483.db2.gz NKQYOKMIXAYQIE-UHFFFAOYSA-N -1 0 347.308 3.562 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCCc1csc2ccccc12)C1CC1 ZINC000776634164 601689497 /nfs/dbraw/zinc/68/94/97/601689497.db2.gz WPVZZPLUILNYDY-HNNXBMFYSA-N -1 0 331.437 3.594 20 0 EHADRM Cc1ccc2c(Cl)c(C(=O)N3C[C@H](C)[C@H](C(=O)[O-])C3)sc2c1 ZINC000832962364 601695128 /nfs/dbraw/zinc/69/51/28/601695128.db2.gz VZGQDZMDUDMDLC-GXSJLCMTSA-N -1 0 337.828 3.656 20 0 EHADRM Cc1ccc2c(CC(=O)OCc3ccc(C(=O)[O-])c(F)c3)coc2c1 ZINC000832960869 601706700 /nfs/dbraw/zinc/70/67/00/601706700.db2.gz UDXCJWFBKARQEG-UHFFFAOYSA-N -1 0 342.322 3.864 20 0 EHADRM C[C@H]1CN(C(=O)C2(Cc3cccc(Cl)c3)CCCC2)C[C@H]1C(=O)[O-] ZINC000828318074 601707429 /nfs/dbraw/zinc/70/74/29/601707429.db2.gz KQAUJJQIBHTFJF-XJKSGUPXSA-N -1 0 349.858 3.622 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccc(F)cc1F ZINC000736649151 601718999 /nfs/dbraw/zinc/71/89/99/601718999.db2.gz PSQURUKVRQXYGU-NSHDSACASA-N -1 0 348.349 3.865 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)CCc1nc2ccccc2o1 ZINC000833031703 601719639 /nfs/dbraw/zinc/71/96/39/601719639.db2.gz NPPQQTQZMIPTOK-UHFFFAOYSA-N -1 0 345.376 3.572 20 0 EHADRM COc1ccc2cc(C(=O)OCc3cc(C(=O)[O-])sc3C)[nH]c2c1 ZINC000832504191 601721036 /nfs/dbraw/zinc/72/10/36/601721036.db2.gz GPRFIPVFCSXSMC-UHFFFAOYSA-N -1 0 345.376 3.602 20 0 EHADRM C[C@@H](CC(=O)OCc1ccc(C(=O)[O-])c(F)c1)c1cccc(F)c1 ZINC000827392285 601729434 /nfs/dbraw/zinc/72/94/34/601729434.db2.gz WXWOUITXWRMJAK-NSHDSACASA-N -1 0 334.318 3.900 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)C1(c2cccc(F)c2)CC1 ZINC000833031111 601729840 /nfs/dbraw/zinc/72/98/40/601729840.db2.gz GQXZEEVCRZTLRR-UHFFFAOYSA-N -1 0 334.368 3.669 20 0 EHADRM CC(C)Sc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000678988574 601741515 /nfs/dbraw/zinc/74/15/15/601741515.db2.gz NAAWFFWJZOYJIQ-MRXNPFEDSA-N -1 0 347.411 3.882 20 0 EHADRM C[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccccc1F)c1cccc(Cl)c1 ZINC000678987332 601742020 /nfs/dbraw/zinc/74/20/20/601742020.db2.gz SRZMDRBBIQROMW-BMIGLBTASA-N -1 0 335.762 3.525 20 0 EHADRM CC[C@@H]1CC[C@@H](C(=O)OCc2c3ccccc3sc2C(=O)[O-])O1 ZINC000829079807 601747567 /nfs/dbraw/zinc/74/75/67/601747567.db2.gz ACMALMAXUBBOTJ-MFKMUULPSA-N -1 0 334.393 3.600 20 0 EHADRM CC(C)c1ccsc1C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC000827139447 601748485 /nfs/dbraw/zinc/74/84/85/601748485.db2.gz KJQLEKUCDPPGPC-UHFFFAOYSA-N -1 0 338.454 3.988 20 0 EHADRM CC[C@H](NC(=O)c1ccccc1OCc1ccccc1Cl)C(=O)[O-] ZINC000237053646 601748645 /nfs/dbraw/zinc/74/86/45/601748645.db2.gz LYWBPXJBUQYIOL-HNNXBMFYSA-N -1 0 347.798 3.512 20 0 EHADRM C[C@H](C(=O)N[C@H](C(=O)[O-])C1CCCCC1)c1ccc(Cl)s1 ZINC000621585506 601755603 /nfs/dbraw/zinc/75/56/03/601755603.db2.gz BYWIDVCDJAZITI-ZANVPECISA-N -1 0 329.849 3.655 20 0 EHADRM C[C@@H]1CN(C(=S)Nc2ccccc2-c2ccccc2)C[C@H]1C(=O)[O-] ZINC000828414267 601765266 /nfs/dbraw/zinc/76/52/66/601765266.db2.gz YMSINBTWONHEDD-CZUORRHYSA-N -1 0 340.448 3.703 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3)cc2)C[C@H]1C(=O)[O-] ZINC000327546292 601770111 /nfs/dbraw/zinc/77/01/11/601770111.db2.gz CXWUBRUQPQEVQY-SUMWQHHRSA-N -1 0 340.379 3.663 20 0 EHADRM C[C@H](Nc1nc(Cl)c(C(=O)[O-])s1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000827773245 601786615 /nfs/dbraw/zinc/78/66/15/601786615.db2.gz FIAMIADAPNXXCN-DKCNOQQISA-N -1 0 338.816 3.860 20 0 EHADRM COc1cccc([C@@H](C)Cc2nc(-c3cccc(C(=O)[O-])c3)no2)c1 ZINC000832534156 601799501 /nfs/dbraw/zinc/79/95/01/601799501.db2.gz VFLQXJXWVCNSPR-LBPRGKRZSA-N -1 0 338.363 3.790 20 0 EHADRM Cc1cc(CCCC(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)c(C)s1 ZINC000776620063 601803680 /nfs/dbraw/zinc/80/36/80/601803680.db2.gz DXBYCHXEKLRHEG-GOSISDBHSA-N -1 0 345.464 3.972 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H](C2CCCCC2)C(F)(F)F)cc1 ZINC000833310986 601806558 /nfs/dbraw/zinc/80/65/58/601806558.db2.gz RYPQOMXVHXXQIC-CYBMUJFWSA-N -1 0 329.318 3.626 20 0 EHADRM O=C([O-])c1c(C2CC2)csc1NC(=O)c1cc(F)c(F)c(F)c1 ZINC000738517810 601807562 /nfs/dbraw/zinc/80/75/62/601807562.db2.gz ONSGMZOENZCCHG-UHFFFAOYSA-N -1 0 341.310 3.993 20 0 EHADRM O=C([O-])c1c(C2CC2)csc1NC(=O)C(=O)c1ccc(Cl)cc1 ZINC000738518267 601808735 /nfs/dbraw/zinc/80/87/35/601808735.db2.gz SVNSYBUSEZLFGZ-UHFFFAOYSA-N -1 0 349.795 3.799 20 0 EHADRM CSc1cc(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])ccn1 ZINC000832774472 601809090 /nfs/dbraw/zinc/80/90/90/601809090.db2.gz LSGRYGXZAALUBT-UHFFFAOYSA-N -1 0 334.422 3.693 20 0 EHADRM O=C([O-])c1sccc1CSc1nnc(Cc2cccs2)o1 ZINC000833348052 601810107 /nfs/dbraw/zinc/81/01/07/601810107.db2.gz MOKYBMAVCOACNS-UHFFFAOYSA-N -1 0 338.435 3.774 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2cnccc2-c2cccc(F)c2)C1 ZINC000833188207 601810240 /nfs/dbraw/zinc/81/02/40/601810240.db2.gz WBEHVBKCPMHRST-KBPBESRZSA-N -1 0 342.370 3.717 20 0 EHADRM Cc1cccc(OCCCCC(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC000537483106 601817350 /nfs/dbraw/zinc/81/73/50/601817350.db2.gz YEXCCTKDXLSWJN-UHFFFAOYSA-N -1 0 347.455 3.648 20 0 EHADRM Cc1ccccc1C(C)(C)CNC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000659395214 601825855 /nfs/dbraw/zinc/82/58/55/601825855.db2.gz HCVNCRQDNDJYMT-UHFFFAOYSA-N -1 0 346.471 3.559 20 0 EHADRM CC(=O)c1ccccc1C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000825963915 601843675 /nfs/dbraw/zinc/84/36/75/601843675.db2.gz JYEWFPTXMVBLGL-HNNXBMFYSA-N -1 0 332.739 3.525 20 0 EHADRM Cc1nnc(SCc2ccc(C(=O)[O-])s2)n1-c1ccccc1 ZINC000833021933 601845486 /nfs/dbraw/zinc/84/54/86/601845486.db2.gz TUMGHJPWOLZTFA-UHFFFAOYSA-N -1 0 331.422 3.628 20 0 EHADRM O=C([O-])[C@@H](OC(=O)CCc1ccoc1)c1ccc(Cl)cc1Cl ZINC000833103142 601846896 /nfs/dbraw/zinc/84/68/96/601846896.db2.gz BEOYJSSWRZWSGF-AWEZNQCLSA-N -1 0 343.162 3.888 20 0 EHADRM Cc1ccc(NC(=O)CSCc2ccc(C(=O)[O-])s2)cc1C ZINC000832943985 601847300 /nfs/dbraw/zinc/84/73/00/601847300.db2.gz PZTADOYXQPNKLR-UHFFFAOYSA-N -1 0 335.450 3.935 20 0 EHADRM O=C([O-])c1ccc(CSCC(=O)NCCC2=CCCCC2)s1 ZINC000833116208 601847404 /nfs/dbraw/zinc/84/74/04/601847404.db2.gz WAHSFHUNXQOICI-UHFFFAOYSA-N -1 0 339.482 3.686 20 0 EHADRM O=C([O-])c1ccc(Cn2c3ccccc3nc2C(F)(F)F)s1 ZINC000833318043 601849325 /nfs/dbraw/zinc/84/93/25/601849325.db2.gz SSHFPVYWNSYNMY-UHFFFAOYSA-N -1 0 326.299 3.863 20 0 EHADRM Cc1ccc(-c2cncc(C(=O)N3CCCC[C@H]3CC(=O)[O-])c2)cc1 ZINC000653320295 601849356 /nfs/dbraw/zinc/84/93/56/601849356.db2.gz JIGGLGRERRNADF-SFHVURJKSA-N -1 0 338.407 3.526 20 0 EHADRM Cc1ccc(Cl)c(NC(=S)N2CC[C@@](C)(C(=O)[O-])C2)c1Cl ZINC000832934686 601853377 /nfs/dbraw/zinc/85/33/77/601853377.db2.gz IQFVLNWVBVVSPN-CQSZACIVSA-N -1 0 347.267 3.795 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)C1(Cc3ccccc3)CCC1)C2 ZINC000621557684 601857339 /nfs/dbraw/zinc/85/73/39/601857339.db2.gz NCDUUSTXFDCSHF-UHFFFAOYSA-N -1 0 335.403 3.640 20 0 EHADRM CCCOc1cc(F)ccc1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000829527572 601861165 /nfs/dbraw/zinc/86/11/65/601861165.db2.gz GKHSYSLXAAOWOA-UHFFFAOYSA-N -1 0 346.358 3.634 20 0 EHADRM C[C@H](SCc1cc(Br)cc2cccnc21)C(=O)[O-] ZINC000827907983 601861809 /nfs/dbraw/zinc/86/18/09/601861809.db2.gz DWNCBQYBTUFTGE-QMMMGPOBSA-N -1 0 326.215 3.704 20 0 EHADRM CC[C@H](NC(=O)[O-])C(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000739529376 601863438 /nfs/dbraw/zinc/86/34/38/601863438.db2.gz PWZUTEHQLNGHKL-HOTGVXAUSA-N -1 0 346.814 3.592 20 0 EHADRM Cc1ccccc1CCC(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC000832980600 601873881 /nfs/dbraw/zinc/87/38/81/601873881.db2.gz IEUSYUYMQCRBRI-UHFFFAOYSA-N -1 0 330.405 3.710 20 0 EHADRM CC[C@@H](C(=O)Oc1ccc(SCC(=O)[O-])cc1)c1c(C)noc1C ZINC000828604266 601878119 /nfs/dbraw/zinc/87/81/19/601878119.db2.gz YVSSUUNQVCIDIZ-CQSZACIVSA-N -1 0 349.408 3.567 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)NCc2cccc(C(=O)[O-])c2)c1C ZINC000666530587 601878983 /nfs/dbraw/zinc/87/89/83/601878983.db2.gz PDBGFKOTMDQHHJ-AWEZNQCLSA-N -1 0 326.396 3.562 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)c1ccc(Cl)nc1Cl ZINC000833131980 601905873 /nfs/dbraw/zinc/90/58/73/601905873.db2.gz MOIWSZOOTGPSEH-MWLCHTKSSA-N -1 0 345.226 3.542 20 0 EHADRM COc1cccc([C@H](C)CC(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])c1 ZINC000262088710 601906975 /nfs/dbraw/zinc/90/69/75/601906975.db2.gz LFPSZLHPQRPRTL-OLMNPRSZSA-N -1 0 347.455 3.729 20 0 EHADRM CN(C(=O)[C@@H]1CC12CCC2)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000830457893 601908290 /nfs/dbraw/zinc/90/82/90/601908290.db2.gz OXBRPRWXKPTTMO-GXFFZTMASA-N -1 0 342.222 3.768 20 0 EHADRM CC(C)Oc1ccccc1CC(=O)N[C@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000537366280 601911580 /nfs/dbraw/zinc/91/15/80/601911580.db2.gz NFALYQHOTPIJPA-SJORKVTESA-N -1 0 347.455 3.556 20 0 EHADRM C[C@H](CNc1ccccc1)NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000827512228 601914382 /nfs/dbraw/zinc/91/43/82/601914382.db2.gz KMRDTOAFAPNDFU-LLVKDONJSA-N -1 0 347.802 3.660 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000237815150 601921205 /nfs/dbraw/zinc/92/12/05/601921205.db2.gz KKVLTIOALRJFSF-UHFFFAOYSA-N -1 0 343.379 3.977 20 0 EHADRM CC(C)C[C@@H](C(=O)NCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000678933276 601924050 /nfs/dbraw/zinc/92/40/50/601924050.db2.gz PRTPAZUQVFEXOP-GOSISDBHSA-N -1 0 325.408 3.831 20 0 EHADRM CC[C@H](CC(=O)NCc1cccc(C(=O)[O-])c1)c1ccc(C)cc1 ZINC000532594670 601924258 /nfs/dbraw/zinc/92/42/58/601924258.db2.gz GAFWFNMGXMQIDA-MRXNPFEDSA-N -1 0 325.408 3.893 20 0 EHADRM O=C([O-])[C@@H](OC(=O)CC[C@@H]1CCCO1)c1cc(Cl)cc(Cl)c1 ZINC000833096317 601933341 /nfs/dbraw/zinc/93/33/41/601933341.db2.gz GRJUNCHIQBKQIL-JSGCOSHPSA-N -1 0 347.194 3.622 20 0 EHADRM O=C([O-])Cc1cccc(NC(=S)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000738624783 601953061 /nfs/dbraw/zinc/95/30/61/601953061.db2.gz FUEYMVSWPHXYFH-UHFFFAOYSA-N -1 0 344.480 3.569 20 0 EHADRM C[C@H]1CC[C@H](C)N1CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000828215110 601971313 /nfs/dbraw/zinc/97/13/13/601971313.db2.gz ZPEQKOMSZLIMHD-IUCAKERBSA-N -1 0 345.226 3.503 20 0 EHADRM CN(C(=O)[O-])[C@@H]1CCCN(Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000739589327 601978994 /nfs/dbraw/zinc/97/89/94/601978994.db2.gz XNXDFQAYKVFATO-CQSZACIVSA-N -1 0 349.818 3.569 20 0 EHADRM CC[C@@H](NC(=O)c1cccc(NC(=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000736920302 601998188 /nfs/dbraw/zinc/99/81/88/601998188.db2.gz QQIZBGWGSNQXQZ-CYBMUJFWSA-N -1 0 338.367 3.534 20 0 EHADRM CC(C)(C)c1ccc(CCCC(=O)N2CCC(NC(=O)[O-])CC2)cc1 ZINC000738729736 602000278 /nfs/dbraw/zinc/00/02/78/602000278.db2.gz FTTLIOBYYHTCDM-UHFFFAOYSA-N -1 0 346.471 3.565 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)CCCc2ccc(Cl)c(Cl)c2)C1 ZINC000237523163 602001828 /nfs/dbraw/zinc/00/18/28/602001828.db2.gz IFOMYOCKCPDZFZ-MRXNPFEDSA-N -1 0 344.238 3.639 20 0 EHADRM Cc1oc(-c2cccs2)nc1C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000833024782 602004042 /nfs/dbraw/zinc/00/40/42/602004042.db2.gz OHEXVJKTEMSWQA-UHFFFAOYSA-N -1 0 349.389 3.828 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000832994754 602007243 /nfs/dbraw/zinc/00/72/43/602007243.db2.gz ZNDUXHBYDBHJLQ-UHFFFAOYSA-N -1 0 339.438 3.866 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000832588401 602008082 /nfs/dbraw/zinc/00/80/82/602008082.db2.gz DIIRYXWFPNBHRW-PKNBQFBNSA-N -1 0 332.377 3.602 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000833314868 602008655 /nfs/dbraw/zinc/00/86/55/602008655.db2.gz KWNOHPTYKDJMIB-MNOVXSKESA-N -1 0 338.331 3.571 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000827581957 602009258 /nfs/dbraw/zinc/00/92/58/602009258.db2.gz VKQZCXTVKBEZGS-NSHDSACASA-N -1 0 336.434 3.918 20 0 EHADRM O=C([O-])c1ccc(COC(=O)/C=C/c2ccnc3ccccc23)s1 ZINC000833095292 602010097 /nfs/dbraw/zinc/01/00/97/602010097.db2.gz RJFKOBYSSRNUSD-VMPITWQZSA-N -1 0 339.372 3.751 20 0 EHADRM O=C([O-])c1ccc(COC(=O)CCc2cc(Cl)cs2)s1 ZINC000833101130 602010299 /nfs/dbraw/zinc/01/02/99/602010299.db2.gz MEMJHJZILDYLSG-UHFFFAOYSA-N -1 0 330.814 3.837 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)OCc2ccc(C(=O)[O-])s2)cc1 ZINC000832220651 602012706 /nfs/dbraw/zinc/01/27/06/602012706.db2.gz AXMTZMSEGAXTRE-NSHDSACASA-N -1 0 334.393 3.692 20 0 EHADRM O=C([O-])c1ccc(NC(=O)COC/C=C\c2ccccc2)cc1Cl ZINC000833111489 602014434 /nfs/dbraw/zinc/01/44/34/602014434.db2.gz FTEACWQPPDAAIK-DAXSKMNVSA-N -1 0 345.782 3.707 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cncc(-c3ccccc3)c2)s1 ZINC000833353704 602016725 /nfs/dbraw/zinc/01/67/25/602016725.db2.gz WSYNAJDFINITEQ-UHFFFAOYSA-N -1 0 339.372 3.865 20 0 EHADRM CCCCNc1ccc(C(F)(F)F)cc1NC(=O)CCNC(=O)[O-] ZINC000829402541 602019955 /nfs/dbraw/zinc/01/99/55/602019955.db2.gz WRYNQQPTVNDUCC-UHFFFAOYSA-N -1 0 347.337 3.514 20 0 EHADRM CSc1cccc(NC(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])c1 ZINC000832790228 602025812 /nfs/dbraw/zinc/02/58/12/602025812.db2.gz KKSJUSLZJZULPP-LSDHHAIUSA-N -1 0 336.457 3.954 20 0 EHADRM CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2cccc(C(=O)[O-])c2C)C1 ZINC000830148851 602031627 /nfs/dbraw/zinc/03/16/27/602031627.db2.gz AMSRULPWBCDZSN-QWHCGFSZSA-N -1 0 336.457 3.831 20 0 EHADRM CCC[C@@H](NC(=O)N1CCC[C@@H](CN(C)C(=O)[O-])C1)c1ccccc1 ZINC000739303990 602064134 /nfs/dbraw/zinc/06/41/34/602064134.db2.gz NLYSBGKERRJSNC-DOTOQJQBSA-N -1 0 347.459 3.559 20 0 EHADRM CCc1nc2c(s1)[C@@H](N(C)C(=O)c1cccc(C(=O)[O-])c1)CCC2 ZINC000191630851 602065385 /nfs/dbraw/zinc/06/53/85/602065385.db2.gz SSVUYJJVLBDLFY-AWEZNQCLSA-N -1 0 344.436 3.553 20 0 EHADRM CC(C)COc1ccc(C(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000261711863 602068854 /nfs/dbraw/zinc/06/88/54/602068854.db2.gz PUBFVZOUXOJBNT-UHFFFAOYSA-N -1 0 327.380 3.601 20 0 EHADRM Cc1ccccc1[C@H](CC(C)C)NC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000263228369 602068946 /nfs/dbraw/zinc/06/89/46/602068946.db2.gz MBIXNKJBZRCMDP-QFBILLFUSA-N -1 0 332.444 3.588 20 0 EHADRM Cc1cccc2c(CCC(=O)Nc3cccc(CC(=O)[O-])c3)c[nH]c21 ZINC000237762732 602070984 /nfs/dbraw/zinc/07/09/84/602070984.db2.gz KFOQOLREOCXRLY-UHFFFAOYSA-N -1 0 336.391 3.675 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1 ZINC000238148463 602078394 /nfs/dbraw/zinc/07/83/94/602078394.db2.gz HOYYPVKOCNCKFI-UHFFFAOYSA-N -1 0 348.402 3.926 20 0 EHADRM O=C([O-])[C@@H](OC(=O)CSC(F)F)c1cc(Cl)cc(Cl)c1 ZINC000833114987 602082239 /nfs/dbraw/zinc/08/22/39/602082239.db2.gz RHJFBXGRPWMCMY-VIFPVBQESA-N -1 0 345.150 3.618 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)N[C@H](c2ccccc2F)C2CCCC2)C1 ZINC000263284768 602088174 /nfs/dbraw/zinc/08/81/74/602088174.db2.gz UKBHFMHQKZSWLN-QFBILLFUSA-N -1 0 348.418 3.563 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@@H]1C[C@H]1C1CC1)c1cc(Cl)cc(Cl)c1 ZINC000833170519 602090119 /nfs/dbraw/zinc/09/01/19/602090119.db2.gz QGADTKSISJXINZ-YNEHKIRRSA-N -1 0 329.179 3.708 20 0 EHADRM CCO[C@H]1C[C@H](N(C)C(=O)Nc2cccc(NC(=O)[O-])c2)C12CCC2 ZINC000829917042 602094547 /nfs/dbraw/zinc/09/45/47/602094547.db2.gz AFQLKXLJIMAGQS-GJZGRUSLSA-N -1 0 347.415 3.588 20 0 EHADRM Cc1ncsc1-c1nc(CSCc2cccc(C(=O)[O-])c2)no1 ZINC000833010644 602100349 /nfs/dbraw/zinc/10/03/49/602100349.db2.gz XAOCZDGGSIHJBS-UHFFFAOYSA-N -1 0 347.421 3.633 20 0 EHADRM Cc1cc(C(=O)Nc2ccsc2C(=O)[O-])c(Br)s1 ZINC000832866954 602101501 /nfs/dbraw/zinc/10/15/01/602101501.db2.gz JHKPNPGZJBSPSU-UHFFFAOYSA-N -1 0 346.227 3.831 20 0 EHADRM CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)C12CCC2 ZINC000829917468 602101623 /nfs/dbraw/zinc/10/16/23/602101623.db2.gz GNTUWBHXSLUYKS-HZPDHXFCSA-N -1 0 346.427 3.505 20 0 EHADRM CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1ccc(SC(F)F)cc1 ZINC000739296578 602102856 /nfs/dbraw/zinc/10/28/56/602102856.db2.gz AAUORJFRLXCDPO-CQSZACIVSA-N -1 0 332.372 3.766 20 0 EHADRM CN(C)c1ccc(NC(=O)Nc2cccc(CC(=O)[O-])c2)cc1Cl ZINC000737954915 602103069 /nfs/dbraw/zinc/10/30/69/602103069.db2.gz KEMCTROHAJDRKZ-UHFFFAOYSA-N -1 0 347.802 3.677 20 0 EHADRM CCc1oc(C(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)cc1C ZINC000830355469 602106263 /nfs/dbraw/zinc/10/62/63/602106263.db2.gz NIPLUJYDQAFNDV-UHFFFAOYSA-N -1 0 345.380 3.553 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cccc(Cl)c2F)c(F)cc1F ZINC000317570618 602110319 /nfs/dbraw/zinc/11/03/19/602110319.db2.gz LSZBJBGZWCWCES-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1ccc(-c2csc(C)n2)cc1 ZINC000739303858 602110562 /nfs/dbraw/zinc/11/05/62/602110562.db2.gz RSRMVILJQXRHAG-QGZVFWFLSA-N -1 0 347.440 3.883 20 0 EHADRM O=C([O-])c1n[nH]c2ccc(NC(=O)c3ccc4sccc4c3)cc21 ZINC000833157168 602111900 /nfs/dbraw/zinc/11/19/00/602111900.db2.gz MSFUOXAXHUOUFA-UHFFFAOYSA-N -1 0 337.360 3.728 20 0 EHADRM O=C([O-])c1csc(NS(=O)(=O)/C=C\c2ccccc2Cl)c1 ZINC000833343820 602116372 /nfs/dbraw/zinc/11/63/72/602116372.db2.gz QVBUJIFCPLHAAK-WAYWQWQTSA-N -1 0 343.813 3.512 20 0 EHADRM Cc1cccc(C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)c1F ZINC000832963612 602120749 /nfs/dbraw/zinc/12/07/49/602120749.db2.gz BOSHWVGKXJFBDC-UHFFFAOYSA-N -1 0 335.762 3.515 20 0 EHADRM O=C([O-])NCCCCCCC(=O)N1CC2(CCC2)c2c1cccc2F ZINC000740648068 602124198 /nfs/dbraw/zinc/12/41/98/602124198.db2.gz IQDCRMCCASCIFI-UHFFFAOYSA-N -1 0 348.418 3.812 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 ZINC000739237995 602133094 /nfs/dbraw/zinc/13/30/94/602133094.db2.gz PVAAMTQSTUPPAT-BMIGLBTASA-N -1 0 345.399 3.579 20 0 EHADRM CCO[C@H](CC(=O)NCc1c2ccccc2sc1C(=O)[O-])C(C)C ZINC000829913024 602143426 /nfs/dbraw/zinc/14/34/26/602143426.db2.gz SDONDSODSGMUFD-CQSZACIVSA-N -1 0 349.452 3.667 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=S)NC1CCCCC1)c1ccccc1 ZINC000826105382 602152064 /nfs/dbraw/zinc/15/20/64/602152064.db2.gz CGXQJCQVLVOGBM-OAHLLOKOSA-N -1 0 334.485 3.635 20 0 EHADRM CCc1oc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1C ZINC000262973244 602160088 /nfs/dbraw/zinc/16/00/88/602160088.db2.gz QBGSNPRYOXURIP-ZDUSSCGKSA-N -1 0 335.787 3.750 20 0 EHADRM COc1cc(OC)cc([C@H](Nc2ccc3[nH]c(C)cc3c2)C(=O)[O-])c1 ZINC000832063887 602173236 /nfs/dbraw/zinc/17/32/36/602173236.db2.gz BDLKPEZMXBOGHX-SFHVURJKSA-N -1 0 340.379 3.731 20 0 EHADRM COc1ccc(CCCC(=O)Nc2ccccc2NC(=O)[O-])cc1 ZINC000739898549 602173764 /nfs/dbraw/zinc/17/37/64/602173764.db2.gz VFASLSXZOKWIPG-UHFFFAOYSA-N -1 0 328.368 3.747 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000827311215 602174027 /nfs/dbraw/zinc/17/40/27/602174027.db2.gz QOSZKOUBEJPDAT-SNVBAGLBSA-N -1 0 334.759 3.577 20 0 EHADRM CCCN(C)c1ccc(C(=O)Nc2ccccc2NC(=O)[O-])cc1 ZINC000739348192 602174086 /nfs/dbraw/zinc/17/40/86/602174086.db2.gz HEHLFEQYXINITF-UHFFFAOYSA-N -1 0 327.384 3.875 20 0 EHADRM Cn1cc(CCC(=O)Nc2cc(C(=O)[O-])cs2)c2ccccc21 ZINC000191359343 602180469 /nfs/dbraw/zinc/18/04/69/602180469.db2.gz MXZDFSQSSXDJSF-UHFFFAOYSA-N -1 0 328.393 3.509 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2ccc(Br)cc2F)c1 ZINC000833342755 602183642 /nfs/dbraw/zinc/18/36/42/602183642.db2.gz OZECFBTWFGOLEW-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2cc(Cl)nc3ccccc32)c1 ZINC000833342287 602186420 /nfs/dbraw/zinc/18/64/20/602186420.db2.gz JCVQLZNFMNONHK-UHFFFAOYSA-N -1 0 332.768 3.900 20 0 EHADRM O=C([O-])c1csc(NC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000191368112 602187561 /nfs/dbraw/zinc/18/75/61/602187561.db2.gz LKFLCAKRFSZXAA-UHFFFAOYSA-N -1 0 330.192 3.934 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2ccc3ccc(Cl)cc3n2)c1 ZINC000191335655 602187799 /nfs/dbraw/zinc/18/77/99/602187799.db2.gz BCVNEJSOEDRWJN-UHFFFAOYSA-N -1 0 332.768 3.900 20 0 EHADRM Cc1nc(-c2ccccc2)sc1[C@H](C)OC(=O)[C@@H](C)CC(=O)[O-] ZINC000832992200 602192853 /nfs/dbraw/zinc/19/28/53/602192853.db2.gz BLJXYTLEXDIBIJ-JQWIXIFHSA-N -1 0 333.409 3.834 20 0 EHADRM C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000828528472 602198801 /nfs/dbraw/zinc/19/88/01/602198801.db2.gz UYGIHOIRRSYGIJ-JTQLQIEISA-N -1 0 346.333 3.814 20 0 EHADRM CC(C)(CC(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccccc1 ZINC000738736172 602198888 /nfs/dbraw/zinc/19/88/88/602198888.db2.gz WEQNZVCZPRYFNK-UHFFFAOYSA-N -1 0 326.396 3.761 20 0 EHADRM Cc1nc(CC(C)C)c(NC(=O)CCc2ccc(C(=O)[O-])cc2)s1 ZINC000832999558 602202633 /nfs/dbraw/zinc/20/26/33/602202633.db2.gz UXCQMZPXEAFNET-UHFFFAOYSA-N -1 0 346.452 3.920 20 0 EHADRM CCCC1(CNC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)CCC1 ZINC000829245571 602206905 /nfs/dbraw/zinc/20/69/05/602206905.db2.gz KOWLHJUTXROPGP-UHFFFAOYSA-N -1 0 333.432 3.888 20 0 EHADRM CCN(C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12)C1CCC1 ZINC000829602490 602222354 /nfs/dbraw/zinc/22/23/54/602222354.db2.gz PEBMNQGEBWOLNE-UHFFFAOYSA-N -1 0 342.395 3.710 20 0 EHADRM CC[C@@H](C)N(C)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000828753042 602222443 /nfs/dbraw/zinc/22/24/43/602222443.db2.gz CNRLFYYKDHDMJN-GFCCVEGCSA-N -1 0 330.384 3.565 20 0 EHADRM C[C@@H]1CCCCN1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000828251958 602224191 /nfs/dbraw/zinc/22/41/91/602224191.db2.gz OMDKXTSSFWYWFW-CYBMUJFWSA-N -1 0 342.395 3.710 20 0 EHADRM CC[C@@H](C)[C@H](C)NC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000828710097 602227775 /nfs/dbraw/zinc/22/77/75/602227775.db2.gz VWKWXLQLJMDRSW-OLZOCXBDSA-N -1 0 344.411 3.859 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=S)Nc3ccc(F)cc3)ccc21 ZINC000740528690 602235297 /nfs/dbraw/zinc/23/52/97/602235297.db2.gz DVMYZAAEDUJMLG-UHFFFAOYSA-N -1 0 331.372 3.675 20 0 EHADRM COc1ccc(NC(=O)c2ccc(C(F)F)cc2)cc1NC(=O)[O-] ZINC000739922647 602235425 /nfs/dbraw/zinc/23/54/25/602235425.db2.gz CCYUGANMJAEIIR-UHFFFAOYSA-N -1 0 336.294 3.975 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)CCc3cccc(F)c3F)ccc21 ZINC000740360931 602237803 /nfs/dbraw/zinc/23/78/03/602237803.db2.gz QDVXLJYGOIBDAI-UHFFFAOYSA-N -1 0 346.333 3.577 20 0 EHADRM CC[C@H](Sc1nnc(-c2cccs2)n1Cc1ccco1)C(=O)[O-] ZINC000829020261 602242165 /nfs/dbraw/zinc/24/21/65/602242165.db2.gz CAAVZZOFBNGJIZ-NSHDSACASA-N -1 0 349.437 3.603 20 0 EHADRM CC(=O)c1cccc(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])c1 ZINC000825960169 602246814 /nfs/dbraw/zinc/24/68/14/602246814.db2.gz FUARWOGXLNPWQC-UHFFFAOYSA-N -1 0 325.364 3.963 20 0 EHADRM Cc1nc(Nc2ccc3c(c2)CCN3C(=O)[O-])cc(-c2cccnc2)n1 ZINC000740220601 602257179 /nfs/dbraw/zinc/25/71/79/602257179.db2.gz QYCVTYAQIBUCHM-UHFFFAOYSA-N -1 0 347.378 3.631 20 0 EHADRM Cc1oc(-c2cccs2)nc1CN1CCCC[C@H]1[C@H](C)NC(=O)[O-] ZINC000740274536 602263895 /nfs/dbraw/zinc/26/38/95/602263895.db2.gz OAYLFAYRFKWWJF-FZMZJTMJSA-N -1 0 349.456 3.722 20 0 EHADRM CC(C)[C@H](CC(=O)N1CCC[C@H](CN(C)C(=O)[O-])C1)c1ccccc1 ZINC000738772763 602297236 /nfs/dbraw/zinc/29/72/36/602297236.db2.gz GFTORZDGJOFDCH-AEFFLSMTSA-N -1 0 346.471 3.665 20 0 EHADRM CC(C)[C@H](CC(=O)N1CCC[C@@H](CN(C)C(=O)[O-])C1)c1ccccc1 ZINC000738772766 602297419 /nfs/dbraw/zinc/29/74/19/602297419.db2.gz GFTORZDGJOFDCH-WMZOPIPTSA-N -1 0 346.471 3.665 20 0 EHADRM CCOc1ccc(NC(=S)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000830084696 602300970 /nfs/dbraw/zinc/30/09/70/602300970.db2.gz JYBBJWTURLRTNK-UHFFFAOYSA-N -1 0 334.372 3.732 20 0 EHADRM Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)NCCNC(=O)[O-] ZINC000740047692 602301221 /nfs/dbraw/zinc/30/12/21/602301221.db2.gz GXMTYFBYOITQNM-UHFFFAOYSA-N -1 0 347.802 3.705 20 0 EHADRM Cc1ccc(Cl)c(NCC(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000832934676 602301465 /nfs/dbraw/zinc/30/14/65/602301465.db2.gz INCRMLNVYQZFJL-UHFFFAOYSA-N -1 0 332.787 3.706 20 0 EHADRM O=C([O-])c1ccc(NCc2nnc(-c3cccc(Cl)c3)o2)cc1F ZINC000833320915 602303948 /nfs/dbraw/zinc/30/39/48/602303948.db2.gz ZOZQGWZNIYMBAC-UHFFFAOYSA-N -1 0 347.733 3.839 20 0 EHADRM COc1ccc(NC(=O)C2(c3ccccc3C)CC2)cc1NC(=O)[O-] ZINC000739916557 602305417 /nfs/dbraw/zinc/30/54/17/602305417.db2.gz MYKGQHHWZQACKP-UHFFFAOYSA-N -1 0 340.379 3.764 20 0 EHADRM Cc1ccc(CC(=O)N[C@H](CC(=O)[O-])c2ccccc2)c(Cl)c1 ZINC000832929224 602309751 /nfs/dbraw/zinc/30/97/51/602309751.db2.gz NNRPHCBYLJNHHH-MRXNPFEDSA-N -1 0 331.799 3.523 20 0 EHADRM C[C@H]1CC[C@H](CC(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)C1 ZINC000828221339 602314351 /nfs/dbraw/zinc/31/43/51/602314351.db2.gz NBAXBNYHSQGFTE-STQMWFEESA-N -1 0 339.382 3.594 20 0 EHADRM Cc1cc(NC(=O)N2CCC([C@H]3CCCN3C(=O)[O-])CC2)ccc1F ZINC000740085552 602321976 /nfs/dbraw/zinc/32/19/76/602321976.db2.gz GASRGTHXHQMZSU-MRXNPFEDSA-N -1 0 349.406 3.520 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)CCc2ccccc2C)c1 ZINC000739917327 602336611 /nfs/dbraw/zinc/33/66/11/602336611.db2.gz ISSUMKHFDPUJQF-UHFFFAOYSA-N -1 0 328.368 3.665 20 0 EHADRM Cc1ccccc1CCC(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000740182669 602338776 /nfs/dbraw/zinc/33/87/76/602338776.db2.gz HMLXEXODYNFSHP-UHFFFAOYSA-N -1 0 326.396 3.676 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1cccc(C(C)C)n1 ZINC000831975439 602347178 /nfs/dbraw/zinc/34/71/78/602347178.db2.gz FOCNTXMYPWGSDX-CSKARUKUSA-N -1 0 341.363 3.531 20 0 EHADRM CC(C)C[C@@H]1CCCN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)C1 ZINC000826831716 602352543 /nfs/dbraw/zinc/35/25/43/602352543.db2.gz FWCJGSGCRQFSBU-INIZCTEOSA-N -1 0 332.444 3.994 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000325863910 602354841 /nfs/dbraw/zinc/35/48/41/602354841.db2.gz GHMWZIZMUZFVNS-UHFFFAOYSA-N -1 0 331.274 3.970 20 0 EHADRM Cc1nc(-c2c[nH]c(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)c2)cs1 ZINC000392344079 602356001 /nfs/dbraw/zinc/35/60/01/602356001.db2.gz GNDSOBZMHWQTPN-UHFFFAOYSA-N -1 0 345.355 3.536 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1F ZINC000391613343 602356967 /nfs/dbraw/zinc/35/69/67/602356967.db2.gz DVFQBJMBZACKJN-DTWKUNHWSA-N -1 0 333.281 3.831 20 0 EHADRM CC(C)CN(CC(C)(C)C)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000826871514 602365417 /nfs/dbraw/zinc/36/54/17/602365417.db2.gz ZUDIQAIJDVYKGR-UHFFFAOYSA-N -1 0 335.448 3.990 20 0 EHADRM CCC[C@@H](NC(=O)[O-])C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000739319743 602371601 /nfs/dbraw/zinc/37/16/01/602371601.db2.gz AGIYSLFIRMDNQN-MRXNPFEDSA-N -1 0 327.384 3.805 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)[C@@H](C)c1ccccc1 ZINC000827671818 602375794 /nfs/dbraw/zinc/37/57/94/602375794.db2.gz LFZPPNYEYXAOAE-NEPJUHHUSA-N -1 0 330.359 3.838 20 0 EHADRM CC[C@H](NC(=O)[O-])C(=O)N(C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000739521974 602382258 /nfs/dbraw/zinc/38/22/58/602382258.db2.gz XLRODJNHEVOVOC-PELKAZGASA-N -1 0 333.215 3.559 20 0 EHADRM CC(C)c1cccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])n1 ZINC000827129851 602391277 /nfs/dbraw/zinc/39/12/77/602391277.db2.gz XKPSODKOGOVATB-YJBOKZPZSA-N -1 0 344.455 3.701 20 0 EHADRM CN(Cc1csc2ccccc12)C(=O)C1CCC(NC(=O)[O-])CC1 ZINC000739716891 602397849 /nfs/dbraw/zinc/39/78/49/602397849.db2.gz NBXAPQHIGQSNNN-UHFFFAOYSA-N -1 0 346.452 3.686 20 0 EHADRM O=C([O-])CN(C(=O)C(c1ccccc1)c1ccccc1)C1CCCC1 ZINC000218267470 602399664 /nfs/dbraw/zinc/39/96/64/602399664.db2.gz FBXBRADGJPGAMJ-UHFFFAOYSA-N -1 0 337.419 3.674 20 0 EHADRM CN(CCCc1nc(-c2c(Cl)cccc2Cl)no1)C(=O)[O-] ZINC000737441466 602405640 /nfs/dbraw/zinc/40/56/40/602405640.db2.gz VSTFECZYSVDZBH-UHFFFAOYSA-N -1 0 330.171 3.586 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N1CCC([C@@H](C)NC(=O)[O-])CC1 ZINC000740033578 602406734 /nfs/dbraw/zinc/40/67/34/602406734.db2.gz VOHVJXDDDQIKQB-CYBMUJFWSA-N -1 0 344.411 3.558 20 0 EHADRM Cc1cc(C)cc(OCc2nc([C@@H](CC(C)C)NC(=O)[O-])no2)c1 ZINC000740067956 602408625 /nfs/dbraw/zinc/40/86/25/602408625.db2.gz NTDIIEYHBVGNBS-CQSZACIVSA-N -1 0 333.388 3.620 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(-c2cc(Cl)ccc2F)n1 ZINC000738816502 602409006 /nfs/dbraw/zinc/40/90/06/602409006.db2.gz LAQAGFMPJDAGAL-LLVKDONJSA-N -1 0 327.743 3.884 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(CCc2c[nH]c3ccccc23)n1 ZINC000738818974 602409735 /nfs/dbraw/zinc/40/97/35/602409735.db2.gz CUNBKWPFJABBNP-HNNXBMFYSA-N -1 0 342.399 3.691 20 0 EHADRM Cc1ccc(O[C@@H](C)c2nc([C@@H](CC(C)C)NC(=O)[O-])no2)cc1 ZINC000740144586 602410580 /nfs/dbraw/zinc/41/05/80/602410580.db2.gz SKTAESDNNWHRPB-GXTWGEPZSA-N -1 0 333.388 3.873 20 0 EHADRM COc1cc(NC(=O)N(Cc2ccco2)C(C)C)ccc1NC(=O)[O-] ZINC000739866861 602411046 /nfs/dbraw/zinc/41/10/46/602411046.db2.gz PAJCGUPOCSCQTA-UHFFFAOYSA-N -1 0 347.371 3.821 20 0 EHADRM O=C([O-])NC1(c2noc([C@@H]3CCC[C@@H](C(F)(F)F)C3)n2)CCCC1 ZINC000740550372 602414425 /nfs/dbraw/zinc/41/44/25/602414425.db2.gz VBBOKPVBOHFZRW-NXEZZACHSA-N -1 0 347.337 3.943 20 0 EHADRM CC(=O)Nc1cccc(NC(=S)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000738587600 602430984 /nfs/dbraw/zinc/43/09/84/602430984.db2.gz IZVVBEDEEQBRRK-UHFFFAOYSA-N -1 0 344.396 3.544 20 0 EHADRM CCCN(C(=S)Nc1ccccc1Cl)[C@H]1CCN(C(=O)[O-])C1 ZINC000739344195 602431825 /nfs/dbraw/zinc/43/18/25/602431825.db2.gz GTDBOVDSFXAKKW-NSHDSACASA-N -1 0 341.864 3.501 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)NCc1cccc(Cl)c1)c1ccccc1 ZINC000740537344 602453918 /nfs/dbraw/zinc/45/39/18/602453918.db2.gz JNYCCNYETFVLLS-MRXNPFEDSA-N -1 0 346.814 3.745 20 0 EHADRM CCOc1ccccc1NC(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000739510563 602456527 /nfs/dbraw/zinc/45/65/27/602456527.db2.gz TWFZMLFHZMWKHY-HNNXBMFYSA-N -1 0 342.395 3.813 20 0 EHADRM CCN(C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1)c1ccccc1F ZINC000739382845 602466648 /nfs/dbraw/zinc/46/66/48/602466648.db2.gz WSBVFPHBSUNSQA-MRXNPFEDSA-N -1 0 344.386 3.968 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2ccc(N3CCCC3)cc2)ccc1F ZINC000740699274 602482148 /nfs/dbraw/zinc/48/21/48/602482148.db2.gz SJRNCGBJVJGDLY-UHFFFAOYSA-N -1 0 343.358 3.768 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(F)c(NC(=O)[O-])c1)c1ccccc1OC ZINC000739268091 602484630 /nfs/dbraw/zinc/48/46/30/602484630.db2.gz GMHMYWIABWZKLJ-CQSZACIVSA-N -1 0 346.358 3.805 20 0 EHADRM CC[C@H](NC(=O)c1ccc(F)c(NC(=O)[O-])c1)c1nc(C)cs1 ZINC000739271397 602488273 /nfs/dbraw/zinc/48/82/73/602488273.db2.gz NJAWQDFSBXUOSN-NSHDSACASA-N -1 0 337.376 3.562 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2ccc(-c3c[nH]cn3)cc2)ccc1F ZINC000740698974 602494056 /nfs/dbraw/zinc/49/40/56/602494056.db2.gz OUXUXXDBIDQMNR-UHFFFAOYSA-N -1 0 340.314 3.558 20 0 EHADRM Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000740219732 602502315 /nfs/dbraw/zinc/50/23/15/602502315.db2.gz UXNWUQXOKGYEBC-UHFFFAOYSA-N -1 0 339.273 3.751 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)c3ccnc4ccccc43)ccc21 ZINC000740471504 602507466 /nfs/dbraw/zinc/50/74/66/602507466.db2.gz HNJHVONFGDATNW-UHFFFAOYSA-N -1 0 347.374 3.918 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000740673711 602517023 /nfs/dbraw/zinc/51/70/23/602517023.db2.gz FWVWEFMDJTVDKY-UHFFFAOYSA-N -1 0 328.412 3.609 20 0 EHADRM CN(C(=O)[O-])C1CCN(Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC000737937745 602536220 /nfs/dbraw/zinc/53/62/20/602536220.db2.gz OJIBUBDYRBHNCZ-UHFFFAOYSA-N -1 0 349.818 3.569 20 0 EHADRM CCN(C(=O)NCC[C@@H](C)NC(=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000739379463 602556317 /nfs/dbraw/zinc/55/63/17/602556317.db2.gz CBNCCEPWKZMMRV-CHWSQXEVSA-N -1 0 347.415 3.572 20 0 EHADRM C[C@H](NC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])c1ccccc1 ZINC000738985845 602560304 /nfs/dbraw/zinc/56/03/04/602560304.db2.gz FMTAAQPAMPZMRW-LBPRGKRZSA-N -1 0 325.368 3.610 20 0 EHADRM Cc1cc(F)ccc1NC(=O)N1CCC[C@H]([C@H]2CCCN2C(=O)[O-])C1 ZINC000740076624 602582221 /nfs/dbraw/zinc/58/22/21/602582221.db2.gz AJNMLYKUSMLCAC-XJKSGUPXSA-N -1 0 349.406 3.520 20 0 EHADRM Cc1cc(NC(=O)N2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)ccc1F ZINC000740086085 602597460 /nfs/dbraw/zinc/59/74/60/602597460.db2.gz JWWRAQWDPQWUNR-CZUORRHYSA-N -1 0 349.406 3.520 20 0 EHADRM COc1ccc(F)cc1[C@@H](C)NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739911542 602601080 /nfs/dbraw/zinc/60/10/80/602601080.db2.gz WNLBIUIBERGAJO-SNVBAGLBSA-N -1 0 347.346 3.807 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N2CC[C@@H](c3ccccc3)C2)cc1 ZINC000740710252 602601112 /nfs/dbraw/zinc/60/11/12/602601112.db2.gz LFLVHQPNFFLQBR-CQSZACIVSA-N -1 0 325.368 3.798 20 0 EHADRM COc1ccc([C@H](C)NC(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000739893941 602601133 /nfs/dbraw/zinc/60/11/33/602601133.db2.gz CZFATHRZTSZURH-NSHDSACASA-N -1 0 329.356 3.668 20 0 EHADRM CN(C(=O)Nc1ccc(NC(=O)[O-])cc1)[C@@H]1CCc2ccccc21 ZINC000739577372 602601783 /nfs/dbraw/zinc/60/17/83/602601783.db2.gz XYSGCYQSCFLOKK-MRXNPFEDSA-N -1 0 325.368 3.928 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NCCc2cccc(Cl)c2)cc1 ZINC000740710415 602603072 /nfs/dbraw/zinc/60/30/72/602603072.db2.gz FGDSZJRLTYNABQ-UHFFFAOYSA-N -1 0 333.775 3.794 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)o1 ZINC000740111861 602610320 /nfs/dbraw/zinc/61/03/20/602610320.db2.gz AOEKVWQAPAOQLK-GFCCVEGCSA-N -1 0 343.383 3.507 20 0 EHADRM C[C@@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000738946558 602656727 /nfs/dbraw/zinc/65/67/27/602656727.db2.gz XLGKPTFQKLFLQX-AWEZNQCLSA-N -1 0 338.407 3.935 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000740144061 602667269 /nfs/dbraw/zinc/66/72/69/602667269.db2.gz LNQIKKYWSQLAOX-UHFFFAOYSA-N -1 0 342.395 3.560 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)Oc2ccccc2OC(F)F)cc1 ZINC000740703160 602673944 /nfs/dbraw/zinc/67/39/44/602673944.db2.gz OEWPTSGEKSJCSL-UHFFFAOYSA-N -1 0 337.278 3.526 20 0 EHADRM CC[C@@H](C)N(Cc1ccccc1)C(=O)CC1CCN(C(=O)[O-])CC1 ZINC000739238647 602675336 /nfs/dbraw/zinc/67/53/36/602675336.db2.gz AWPZVUNYZWYTLN-OAHLLOKOSA-N -1 0 332.444 3.594 20 0 EHADRM CSC[C@@H](C)C(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000739999565 602685377 /nfs/dbraw/zinc/68/53/77/602685377.db2.gz QNPOQNQUBQAYPE-SSDOTTSWSA-N -1 0 336.335 3.733 20 0 EHADRM C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000736715884 602710922 /nfs/dbraw/zinc/71/09/22/602710922.db2.gz BYWJXXNGIDCAMB-NSHDSACASA-N -1 0 329.356 3.707 20 0 EHADRM Cc1ccc(F)c2c1CCCN2C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000738279055 602713418 /nfs/dbraw/zinc/71/34/18/602713418.db2.gz BDNAMOOFNTUWRW-UHFFFAOYSA-N -1 0 328.343 3.817 20 0 EHADRM C[C@H](c1ccc(Br)cc1)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737721931 602718441 /nfs/dbraw/zinc/71/84/41/602718441.db2.gz SVXYWJUGAPMERL-LLVKDONJSA-N -1 0 341.249 3.584 20 0 EHADRM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000738095453 602726777 /nfs/dbraw/zinc/72/67/77/602726777.db2.gz HUWNLVKJHCCPML-JKSUJKDBSA-N -1 0 326.352 3.527 20 0 EHADRM CC[C@H](C)c1ccc(OC(=O)c2csc(CNC(=O)[O-])n2)cc1 ZINC000739250348 602728017 /nfs/dbraw/zinc/72/80/17/602728017.db2.gz SDBZICLHNUTGHI-JTQLQIEISA-N -1 0 334.397 3.643 20 0 EHADRM COc1ccccc1C/C(C)=C/C(=O)Nc1ccccc1NC(=O)[O-] ZINC000739971317 602733147 /nfs/dbraw/zinc/73/31/47/602733147.db2.gz MYBYRXXBMJFUIU-OUKQBFOZSA-N -1 0 340.379 3.913 20 0 EHADRM CCN(Cc1ccccc1NC(=O)CO[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000739443942 602750049 /nfs/dbraw/zinc/75/00/49/602750049.db2.gz LHSBZSIKSZQHEL-WMLDXEAASA-N -1 0 348.443 3.720 20 0 EHADRM Cc1ccc(C(=O)N(CCc2ccccc2)C2CC2)cc1NC(=O)[O-] ZINC000830187250 602763634 /nfs/dbraw/zinc/76/36/34/602763634.db2.gz OCNVUNMKIZNPQG-UHFFFAOYSA-N -1 0 338.407 3.932 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@H](C(=O)Nc2ccccc2CC(F)(F)F)C1 ZINC000740565593 602811792 /nfs/dbraw/zinc/81/17/92/602811792.db2.gz OKKIWGOHRLIWQT-JQWIXIFHSA-N -1 0 344.333 3.556 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)c2ccc(F)c(NC(=O)[O-])c2)s1 ZINC000740120383 602814959 /nfs/dbraw/zinc/81/49/59/602814959.db2.gz HNTHSOIWXVWADT-SECBINFHSA-N -1 0 336.388 3.647 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)c3cccc(F)c3Cl)ccc21 ZINC000831772583 602816503 /nfs/dbraw/zinc/81/65/03/602816503.db2.gz JFRLQYHKXOTPEO-UHFFFAOYSA-N -1 0 334.734 3.772 20 0 EHADRM Cc1ccc(C(=O)N(C)C[C@@H](C)c2ccccc2)cc1NC(=O)[O-] ZINC000830182325 602829451 /nfs/dbraw/zinc/82/94/51/602829451.db2.gz YOVJDMCJUJAGLX-CQSZACIVSA-N -1 0 326.396 3.961 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)c2cccc(F)c2Cl)c1 ZINC000829469577 602835858 /nfs/dbraw/zinc/83/58/58/602835858.db2.gz RLZVTZIYWOBWBX-UHFFFAOYSA-N -1 0 338.722 3.830 20 0 EHADRM CCOc1cc(C(=O)Nc2ccc(OC)c(NC(=O)[O-])c2)ccc1C ZINC000739487327 602840406 /nfs/dbraw/zinc/84/04/06/602840406.db2.gz OZNNLFPYXVUWEE-UHFFFAOYSA-N -1 0 344.367 3.745 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)CCCCCCNC(=O)[O-])C1 ZINC000740181206 602842096 /nfs/dbraw/zinc/84/20/96/602842096.db2.gz NRTSYOMJNLJLRV-DLBZAZTESA-N -1 0 346.471 3.918 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)C2CCC(NC(=O)[O-])CC2)C1 ZINC000740181770 602842179 /nfs/dbraw/zinc/84/21/79/602842179.db2.gz SPAOXUMPXGGSTJ-KZYLPZIUSA-N -1 0 344.455 3.526 20 0 EHADRM C[C@H](C(=O)N1CCC[C@@H]1C(C)(C)C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823668171 602856630 /nfs/dbraw/zinc/85/66/30/602856630.db2.gz CDTMVTKYPDMJQT-IMJJTQAJSA-N -1 0 332.444 3.669 20 0 EHADRM C[C@H](NC(=O)c1ccc(CNC(=O)[O-])o1)c1cc2ccccc2s1 ZINC000825459316 602881990 /nfs/dbraw/zinc/88/19/90/602881990.db2.gz OBLOKJBNMZQGIN-JTQLQIEISA-N -1 0 344.392 3.753 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000826633861 602905938 /nfs/dbraw/zinc/90/59/38/602905938.db2.gz XXURDAWYAOKWHE-XYPHTWIQSA-N -1 0 348.443 3.767 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000740185016 602908876 /nfs/dbraw/zinc/90/88/76/602908876.db2.gz RBIFSXQQAFWNMW-CQSZACIVSA-N -1 0 326.396 3.895 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)OCc2cnc(-c3cccs3)o2)cc1 ZINC000738665107 602928151 /nfs/dbraw/zinc/92/81/51/602928151.db2.gz QVUJHHORLGJXPE-UHFFFAOYSA-N -1 0 344.348 3.850 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000738963899 602936582 /nfs/dbraw/zinc/93/65/82/602936582.db2.gz YQDPYGCSNZPPJS-IYYTYJHQSA-N -1 0 345.226 3.607 20 0 EHADRM Cc1cc(C)c(NC(=O)N[C@@H]2CCCCN(C(=O)[O-])C2)c(Cl)c1 ZINC000740067234 602940003 /nfs/dbraw/zinc/94/00/03/602940003.db2.gz VDTPHLRHEOYHNM-GFCCVEGCSA-N -1 0 339.823 3.611 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCCCN(C(=O)[O-])C1 ZINC000740157448 602940325 /nfs/dbraw/zinc/94/03/25/602940325.db2.gz HHTFWBYRJFVASM-CQSZACIVSA-N -1 0 333.432 3.772 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-])c1cc(Cl)ccc1Cl ZINC000738961060 602949939 /nfs/dbraw/zinc/94/99/39/602949939.db2.gz NXPCKLRQNURAEU-PLMOITTCSA-N -1 0 345.226 3.607 20 0 EHADRM C[C@H](C(=O)N1CCC[C@H]1c1ccco1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823670518 602950130 /nfs/dbraw/zinc/95/01/30/602950130.db2.gz XQEXMKZEAJTEHJ-QRTARXTBSA-N -1 0 342.395 3.588 20 0 EHADRM Cc1ccc(C(=O)N[C@H]2C[C@H]2c2c(F)cccc2F)cc1NC(=O)[O-] ZINC000830206123 602950809 /nfs/dbraw/zinc/95/08/09/602950809.db2.gz XJRYPLLWQZWDLQ-ABAIWWIYSA-N -1 0 346.333 3.649 20 0 EHADRM Cc1cc(Br)oc1C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000738200982 602957157 /nfs/dbraw/zinc/95/71/57/602957157.db2.gz MAOMXOHQVASQEJ-UHFFFAOYSA-N -1 0 340.129 3.660 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)[C@H]1CCC[C@H]1NC(=O)[O-] ZINC000739364605 602962860 /nfs/dbraw/zinc/96/28/60/602962860.db2.gz OCKQFMNVIQNPIT-NWDGAFQWSA-N -1 0 340.807 3.504 20 0 EHADRM Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)C[C@@H](C)NC(=O)[O-] ZINC000830615556 602968683 /nfs/dbraw/zinc/96/86/83/602968683.db2.gz BCODUJLUORMCOR-UKRRQHHQSA-N -1 0 346.452 3.503 20 0 EHADRM CC[C@H](NC(=O)[O-])C(=O)Nc1ccc(OCc2ccccc2)cc1C ZINC000739534678 602983654 /nfs/dbraw/zinc/98/36/54/602983654.db2.gz OAIRONRJPUDVQC-INIZCTEOSA-N -1 0 342.395 3.559 20 0 EHADRM CC[C@@H](C)[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccccc1 ZINC000739222167 603004559 /nfs/dbraw/zinc/00/45/59/603004559.db2.gz DXPJSHCYZMYQBE-POGJWJPPSA-N -1 0 344.455 3.606 20 0 EHADRM COc1ccc(NC(=O)C(C)(C)Cc2ccccc2)cc1NC(=O)[O-] ZINC000739914672 603006897 /nfs/dbraw/zinc/00/68/97/603006897.db2.gz FFCNWXWDMIEJBE-UHFFFAOYSA-N -1 0 342.395 3.993 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)N1CCC(NC(=O)[O-])CC1 ZINC000738759091 603016928 /nfs/dbraw/zinc/01/69/28/603016928.db2.gz DJHGJZRTGIWIQR-UHFFFAOYSA-N -1 0 348.468 3.617 20 0 EHADRM COC(=O)[C@H](Nc1ccc(NC(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000737580419 603024362 /nfs/dbraw/zinc/02/43/62/603024362.db2.gz UNTRAWDYOPZGCK-CQSZACIVSA-N -1 0 334.759 3.756 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)NCc2ccc(Cl)s2)c1 ZINC000740705982 603036695 /nfs/dbraw/zinc/03/66/95/603036695.db2.gz VMUCBELYFGHNDT-UHFFFAOYSA-N -1 0 343.767 3.952 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)C(C)(C)c2ccc(F)cc2)cc1 ZINC000827901018 603039407 /nfs/dbraw/zinc/03/94/07/603039407.db2.gz UECYTGOHOBCXOF-UHFFFAOYSA-N -1 0 331.343 3.823 20 0 EHADRM CS[C@H](C(=O)Oc1ccc(N(C)C(=O)[O-])cc1)c1ccccc1 ZINC000829703208 603050860 /nfs/dbraw/zinc/05/08/60/603050860.db2.gz FFMHBCNNSHOHJK-HNNXBMFYSA-N -1 0 331.393 3.811 20 0 EHADRM C[C@@H](CNC(=O)c1cccc(NC(=O)[O-])c1)Sc1ccccc1 ZINC000824974401 603063177 /nfs/dbraw/zinc/06/31/77/603063177.db2.gz YAWUDJQFRXOWML-LBPRGKRZSA-N -1 0 330.409 3.687 20 0 EHADRM C[C@@H](NC(=O)[C@@H](CNC(=O)[O-])c1ccccc1)c1ccc(Cl)cc1 ZINC000738952681 603079646 /nfs/dbraw/zinc/07/96/46/603079646.db2.gz OQEUKUWKPIGMKQ-WBMJQRKESA-N -1 0 346.814 3.569 20 0 EHADRM O=C([O-])NC1CCC(Nc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000740568728 603082952 /nfs/dbraw/zinc/08/29/52/603082952.db2.gz ZSLIDWLGVURKIR-UHFFFAOYSA-N -1 0 337.729 3.745 20 0 EHADRM CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736352272 603100546 /nfs/dbraw/zinc/10/05/46/603100546.db2.gz AUYCFGUXLFUZEX-SNVBAGLBSA-N -1 0 332.322 3.826 20 0 EHADRM CC[C@H](NC(=O)C1CCC(NC(=O)[O-])CC1)c1ccc(Cl)s1 ZINC000739260236 603131656 /nfs/dbraw/zinc/13/16/56/603131656.db2.gz OQGOFSQKGABOGE-ILDUYXDCSA-N -1 0 344.864 3.795 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000740568455 603149941 /nfs/dbraw/zinc/14/99/41/603149941.db2.gz FSRNEQXCACFWAM-PSASIEDQSA-N -1 0 331.199 3.758 20 0 EHADRM C[C@H](OC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1)c1nc2ccccc2s1 ZINC000739043322 603153845 /nfs/dbraw/zinc/15/38/45/603153845.db2.gz HNEBYROYRTVYPK-TUAOUCFPSA-N -1 0 348.424 3.727 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)Nc2ccc(-c3nccs3)cc2)C1 ZINC000740569067 603155430 /nfs/dbraw/zinc/15/54/30/603155430.db2.gz HERGRSUNZGIIOG-OCCSQVGLSA-N -1 0 345.424 3.575 20 0 EHADRM Cc1ccc(NC(=O)[C@H](C)Oc2ccc(NC(=O)[O-])cc2)c(F)c1 ZINC000830358066 603157305 /nfs/dbraw/zinc/15/73/05/603157305.db2.gz JGRJUMISESKFEE-NSHDSACASA-N -1 0 332.331 3.630 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(NC(=O)[O-])cc1)c1cccs1 ZINC000736322286 603163538 /nfs/dbraw/zinc/16/35/38/603163538.db2.gz VAWNGCCVAURSMH-UHFFFAOYSA-N -1 0 333.413 3.937 20 0 EHADRM CCCc1ncc(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)s1 ZINC000826955014 603174161 /nfs/dbraw/zinc/17/41/61/603174161.db2.gz XIOWYBSUHHCCCD-JTQLQIEISA-N -1 0 333.413 3.677 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)[C@H]2CCOc3ccccc32)cc1 ZINC000825416954 603176513 /nfs/dbraw/zinc/17/65/13/603176513.db2.gz NKMHXUHPUCXGPM-WBMJQRKESA-N -1 0 340.379 3.520 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)Nc1ccc(F)cc1 ZINC000829187559 603211704 /nfs/dbraw/zinc/21/17/04/603211704.db2.gz KQOUKNCFFWKLJV-UHFFFAOYSA-N -1 0 338.722 3.830 20 0 EHADRM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(NC(=O)[O-])cc2)s1 ZINC000737282301 603213803 /nfs/dbraw/zinc/21/38/03/603213803.db2.gz WRSFSOQKGYJUHE-LLVKDONJSA-N -1 0 347.440 3.937 20 0 EHADRM C[C@H](C(=O)NCc1cccc(Cl)c1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823705483 603216294 /nfs/dbraw/zinc/21/62/94/603216294.db2.gz WRWZDWQKRDVKFV-BLLLJJGKSA-N -1 0 346.814 3.601 20 0 EHADRM COc1ccc(C)cc1NC(=O)[C@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000829321044 603218430 /nfs/dbraw/zinc/21/84/30/603218430.db2.gz FWWYLPDACJFLSC-DYVFJYSZSA-N -1 0 342.395 3.587 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)N(Cc2ccoc2)C2CCCCC2)C1 ZINC000740566042 603218587 /nfs/dbraw/zinc/21/85/87/603218587.db2.gz STPFVCSNTCTGHN-HZPDHXFCSA-N -1 0 348.443 3.767 20 0 EHADRM C[C@H]1Cc2ccccc2CN1C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739197833 603225905 /nfs/dbraw/zinc/22/59/05/603225905.db2.gz KYPIKEAWQSKWBT-NSHDSACASA-N -1 0 328.343 3.503 20 0 EHADRM Cc1cccc(Oc2ccccc2NC(=O)C[C@H](C)NC(=O)[O-])c1 ZINC000830528367 603228121 /nfs/dbraw/zinc/22/81/21/603228121.db2.gz VPAXGCOCFAUXMM-ZDUSSCGKSA-N -1 0 328.368 3.772 20 0 EHADRM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CC(C)(C)NC(=O)[O-])o1 ZINC000827583753 603231776 /nfs/dbraw/zinc/23/17/76/603231776.db2.gz LFZQWADHIUNYBS-OCCSQVGLSA-N -1 0 336.432 3.578 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(CNC(=O)[O-])cc1)c1cc(F)ccc1F ZINC000739271418 603258499 /nfs/dbraw/zinc/25/84/99/603258499.db2.gz NWDCNOKUWJEMAW-MRXNPFEDSA-N -1 0 348.349 3.614 20 0 EHADRM Cc1cccc(OCCCNC(=O)c2ccc(C)c(NC(=O)[O-])c2)c1 ZINC000830526532 603261730 /nfs/dbraw/zinc/26/17/30/603261730.db2.gz ABLZHQNZTZHUGX-UHFFFAOYSA-N -1 0 342.395 3.592 20 0 EHADRM O=C([O-])N1CCC[C@H](CNc2cccc(COCc3ccco3)c2)C1 ZINC000740513911 603269191 /nfs/dbraw/zinc/26/91/91/603269191.db2.gz BLVSJAMFMQVOOU-MRXNPFEDSA-N -1 0 344.411 3.798 20 0 EHADRM COc1cc(F)ccc1NC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000829142633 603269720 /nfs/dbraw/zinc/26/97/20/603269720.db2.gz SLRMTRIWYVRNBY-JTQLQIEISA-N -1 0 347.346 3.807 20 0 EHADRM CC[C@]1(C)CCCN(C(=O)Nc2ccc(OC)c(NC(=O)[O-])c2)C1 ZINC000826646154 603270071 /nfs/dbraw/zinc/27/00/71/603270071.db2.gz ZJMUIKSMGCJKOH-QGZVFWFLSA-N -1 0 335.404 3.829 20 0 EHADRM O=C([O-])N1CCC(CC(=O)Nc2ccc(CC(F)(F)F)cc2)CC1 ZINC000740348405 603277412 /nfs/dbraw/zinc/27/74/12/603277412.db2.gz BTMTWXTVNKJBKH-UHFFFAOYSA-N -1 0 344.333 3.510 20 0 EHADRM CCC[C@@H](CCc1ccccc1)NC(=O)CC1CCN(C(=O)[O-])CC1 ZINC000739308603 603279576 /nfs/dbraw/zinc/27/95/76/603279576.db2.gz YKFSZZYQJRTKSU-SFHVURJKSA-N -1 0 346.471 3.684 20 0 EHADRM Cc1cc([C@H]2CCCN2C(=O)c2ccc(NC(=O)[O-])cc2Cl)on1 ZINC000740080251 603280082 /nfs/dbraw/zinc/28/00/82/603280082.db2.gz MYGOQYJIHPWCAM-CYBMUJFWSA-N -1 0 349.774 3.704 20 0 EHADRM COc1cc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)ccc1NC(=O)[O-] ZINC000829167922 603282713 /nfs/dbraw/zinc/28/27/13/603282713.db2.gz SZRWUOQQZLZUJS-YNEHKIRRSA-N -1 0 347.415 3.875 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCCC[C@@H]2c2ncc[nH]2)c(Cl)c1 ZINC000740698235 603294063 /nfs/dbraw/zinc/29/40/63/603294063.db2.gz ACBDQXYRDBNQLJ-CYBMUJFWSA-N -1 0 348.790 3.520 20 0 EHADRM C[C@@H](CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1)NC(=O)[O-] ZINC000824615222 603297393 /nfs/dbraw/zinc/29/73/93/603297393.db2.gz RUWAMFRLRXKMEA-YVEFUNNKSA-N -1 0 346.814 3.592 20 0 EHADRM Cc1csc([C@H](NC(=O)Nc2ccc(NC(=O)[O-])cc2)C2CC2)n1 ZINC000830660493 603311618 /nfs/dbraw/zinc/31/16/18/603311618.db2.gz IUOUXOFEHMAYSH-CYBMUJFWSA-N -1 0 346.412 3.814 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)N2CCC[C@@H]2c2ccccc2)c1 ZINC000740675360 603322381 /nfs/dbraw/zinc/32/23/81/603322381.db2.gz DLKZBFFEDUFZSB-QGZVFWFLSA-N -1 0 339.395 3.823 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)NCc2cc3ccccc3o2)c1 ZINC000740676942 603322572 /nfs/dbraw/zinc/32/25/72/603322572.db2.gz KMUWRYJPIMHBOB-UHFFFAOYSA-N -1 0 339.351 3.522 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)NC2CC(c3ccccc3)C2)c1 ZINC000740678098 603327095 /nfs/dbraw/zinc/32/70/95/603327095.db2.gz RFGJDFUUTZWZNL-UHFFFAOYSA-N -1 0 339.395 3.522 20 0 EHADRM C[C@@H]1c2ccsc2CCN1C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739206666 603327900 /nfs/dbraw/zinc/32/79/00/603327900.db2.gz KVCYYXZKBWIKAF-LLVKDONJSA-N -1 0 345.424 3.667 20 0 EHADRM C[C@H](CN(C)C(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccccc1 ZINC000738912079 603330108 /nfs/dbraw/zinc/33/01/08/603330108.db2.gz VHWNPYITBLCPJY-CQSZACIVSA-N -1 0 341.411 3.722 20 0 EHADRM CN(Cc1ccccc1NC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)C(=O)[O-] ZINC000828400297 603330925 /nfs/dbraw/zinc/33/09/25/603330925.db2.gz WMHHOVQJZMDUFA-SQWLQELKSA-N -1 0 345.443 3.887 20 0 EHADRM CSCC[C@@H](C)N(C)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739995715 603332830 /nfs/dbraw/zinc/33/28/30/603332830.db2.gz DWEYMQQJQKXWSC-SECBINFHSA-N -1 0 329.397 3.521 20 0 EHADRM CC(C)[C@H](CC1CCCCC1)C(=O)N1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000738773166 603343169 /nfs/dbraw/zinc/34/31/69/603343169.db2.gz IAYIENZGKXUEER-BHYGNILZSA-N -1 0 338.492 3.734 20 0 EHADRM CCN(Cc1cccc(NC(=O)N2CCC[C@H]2C2CCC2)c1)C(=O)[O-] ZINC000739444978 603344855 /nfs/dbraw/zinc/34/48/55/603344855.db2.gz ZWZRFOLVGDHUIV-KRWDZBQOSA-N -1 0 345.443 3.983 20 0 EHADRM Cc1ccc(C(=O)NCC2(c3ccc(F)cc3)CC2)cc1NC(=O)[O-] ZINC000830217274 603346717 /nfs/dbraw/zinc/34/67/17/603346717.db2.gz VFNGBICTVMSPTM-UHFFFAOYSA-N -1 0 342.370 3.686 20 0 EHADRM CCCN(CC1CC1)C(=O)Nc1ccccc1CN(CC)C(=O)[O-] ZINC000739358169 603353808 /nfs/dbraw/zinc/35/38/08/603353808.db2.gz LFUHLXXGQMZWBU-UHFFFAOYSA-N -1 0 333.432 3.840 20 0 EHADRM CCN(Cc1ccccc1NC(=O)NCc1cccc(C)c1)C(=O)[O-] ZINC000739443588 603354434 /nfs/dbraw/zinc/35/44/34/603354434.db2.gz PZUCORLOZMAMRO-UHFFFAOYSA-N -1 0 341.411 3.817 20 0 EHADRM CN(Cc1cccc(NC(=O)N2CCC[C@@H]2C2CCCC2)c1)C(=O)[O-] ZINC000739707269 603356435 /nfs/dbraw/zinc/35/64/35/603356435.db2.gz MAEGLUUJASONBG-QGZVFWFLSA-N -1 0 345.443 3.983 20 0 EHADRM CN(Cc1cccc(NC(=O)N[C@H]2CCCc3occc32)c1)C(=O)[O-] ZINC000739712908 603362257 /nfs/dbraw/zinc/36/22/57/603362257.db2.gz JGNKXKKKMQYERW-HNNXBMFYSA-N -1 0 343.383 3.589 20 0 EHADRM O=C([O-])N1CCC[C@@H]1CC(=O)N1CCC[C@H]1c1ccccc1Cl ZINC000832006661 603371802 /nfs/dbraw/zinc/37/18/02/603371802.db2.gz UDCRERYNPKXOEL-DOMZBBRYSA-N -1 0 336.819 3.536 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(C3CCCCC3)cc2)CC[C@H]1NC(=O)[O-] ZINC000739172003 603373070 /nfs/dbraw/zinc/37/30/70/603373070.db2.gz VYZNPEMRTGAFPC-RDTXWAMCSA-N -1 0 344.455 3.853 20 0 EHADRM O=C([O-])N1CC[C@H](CSc2nnc(CCC3CCCCC3)o2)C1 ZINC000740500077 603374366 /nfs/dbraw/zinc/37/43/66/603374366.db2.gz DTZNFDDERQFONC-ZDUSSCGKSA-N -1 0 339.461 3.675 20 0 EHADRM CCc1cccc(NC(=S)NC[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000739547925 603378263 /nfs/dbraw/zinc/37/82/63/603378263.db2.gz ODORXAKSRIQIAQ-MRXNPFEDSA-N -1 0 343.452 3.544 20 0 EHADRM Cc1ccc(CNC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)c(C)c1 ZINC000830316765 603379334 /nfs/dbraw/zinc/37/93/34/603379334.db2.gz FGBDETROKPHMIA-CQSZACIVSA-N -1 0 341.411 3.954 20 0 EHADRM Cc1cccc(F)c1CNC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000830505880 603379430 /nfs/dbraw/zinc/37/94/30/603379430.db2.gz PVVFTFRCNPDLFM-LBPRGKRZSA-N -1 0 345.374 3.784 20 0 EHADRM Cc1cccc(CCNC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)c1 ZINC000830497211 603387421 /nfs/dbraw/zinc/38/74/21/603387421.db2.gz CMXRCXHITKRUPK-AWEZNQCLSA-N -1 0 341.411 3.688 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)c1cccc(NC(=O)[O-])c1)C(C)C ZINC000738785756 603393019 /nfs/dbraw/zinc/39/30/19/603393019.db2.gz MCNAJOASQAHSMG-HNNXBMFYSA-N -1 0 327.384 3.607 20 0 EHADRM CN(Cc1cccc(NC(=O)c2cnc3ccsc3c2)c1)C(=O)[O-] ZINC000739714824 603394442 /nfs/dbraw/zinc/39/44/42/603394442.db2.gz YJSLEWCIPMZBAK-UHFFFAOYSA-N -1 0 341.392 3.658 20 0 EHADRM C[C@@H](C(=O)N(C)c1ccc(F)c(F)c1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823653407 603395121 /nfs/dbraw/zinc/39/51/21/603395121.db2.gz ALZCAIMMGJDADJ-BDJLRTHQSA-N -1 0 348.349 3.573 20 0 EHADRM C[C@H](CC(=O)N([C@H](C)c1ccc2ccccc2c1)C1CC1)NC(=O)[O-] ZINC000824557591 603400650 /nfs/dbraw/zinc/40/06/50/603400650.db2.gz HTSOSKXVDXWTAE-ZIAGYGMSSA-N -1 0 340.423 3.938 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H](c2nc(Cc3cccc(Cl)c3)no2)C1 ZINC000832340083 603419818 /nfs/dbraw/zinc/41/98/18/603419818.db2.gz PYLGTYOMPKKSTJ-WCQYABFASA-N -1 0 335.791 3.608 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H](c2nc(-c3nccc4ccccc43)no2)C1 ZINC000832331720 603424759 /nfs/dbraw/zinc/42/47/59/603424759.db2.gz IRWYVHWDNUOXDH-CHWSQXEVSA-N -1 0 338.367 3.579 20 0 EHADRM Cc1csc(N(C(=O)CC2(NC(=O)[O-])CCC2)c2ccccc2)n1 ZINC000830667694 603454954 /nfs/dbraw/zinc/45/49/54/603454954.db2.gz WYZOOKJHEHYVTG-UHFFFAOYSA-N -1 0 345.424 3.697 20 0 EHADRM O=C([O-])NC1(c2noc(-c3cccc(C(F)(F)F)c3F)n2)CCC1 ZINC000832229439 603464269 /nfs/dbraw/zinc/46/42/69/603464269.db2.gz YGGZCPDWBJEPPX-UHFFFAOYSA-N -1 0 345.252 3.541 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)cc1Cl ZINC000824418370 603465083 /nfs/dbraw/zinc/46/50/83/603465083.db2.gz LXIIDMQNRDLSJR-MNOVXSKESA-N -1 0 340.807 3.502 20 0 EHADRM CC(C)[C@H](CC(=O)N(C)C1CCC(NC(=O)[O-])CC1)c1ccccc1 ZINC000824072637 603474202 /nfs/dbraw/zinc/47/42/02/603474202.db2.gz WDLIRIHUAAPQFT-ABHNRTSZSA-N -1 0 346.471 3.854 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000829867778 603477312 /nfs/dbraw/zinc/47/73/12/603477312.db2.gz SEICAAASFPVCHU-ZFWWWQNUSA-N -1 0 348.443 3.685 20 0 EHADRM Cc1ccc(C(=O)Nc2cc(-c3ccccc3)[nH]n2)cc1NC(=O)[O-] ZINC000830230820 603485258 /nfs/dbraw/zinc/48/52/58/603485258.db2.gz RWCKWVUQTZZQAY-UHFFFAOYSA-N -1 0 336.351 3.727 20 0 EHADRM CCC[C@H](C)N(C)C(=O)c1ccc2c(ccn2CCCNC(=O)[O-])c1 ZINC000826736984 603503201 /nfs/dbraw/zinc/50/32/01/603503201.db2.gz ZEEUHLMLJUIFTG-AWEZNQCLSA-N -1 0 345.443 3.560 20 0 EHADRM CCN(CC1CCN(Cc2coc(-c3ccccc3)n2)CC1)C(=O)[O-] ZINC000827098469 603511148 /nfs/dbraw/zinc/51/11/48/603511148.db2.gz AXYRTLQOYPOXPI-UHFFFAOYSA-N -1 0 343.427 3.554 20 0 EHADRM CCC[C@H](NC(=O)[O-])C(=O)Nc1cccc(COC(C)(C)C)c1C ZINC000826757694 603517317 /nfs/dbraw/zinc/51/73/17/603517317.db2.gz HSEJDZWGVVEZQP-HNNXBMFYSA-N -1 0 336.432 3.685 20 0 EHADRM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000826639960 603531107 /nfs/dbraw/zinc/53/11/07/603531107.db2.gz RHZOJAXEYUEKIL-FJIDUMEYSA-N -1 0 344.455 3.608 20 0 EHADRM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000826640045 603531131 /nfs/dbraw/zinc/53/11/31/603531131.db2.gz RHZOJAXEYUEKIL-XDNAFOTISA-N -1 0 344.455 3.608 20 0 EHADRM Cc1cccc(Oc2ccc(NC(=O)CC3CN(C(=O)[O-])C3)cc2)c1 ZINC000830526911 603556567 /nfs/dbraw/zinc/55/65/67/603556567.db2.gz DLJJHHJKHBVBSG-UHFFFAOYSA-N -1 0 340.379 3.726 20 0 EHADRM O=C([O-])N1CCCN(Cc2nc3cc(F)ccc3o2)c2ccccc21 ZINC000832014774 603610582 /nfs/dbraw/zinc/61/05/82/603610582.db2.gz CKAOIWKMCAUNRL-UHFFFAOYSA-N -1 0 341.342 3.862 20 0 EHADRM Cc1c2c(sc1NC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1)CCCC2 ZINC000829877285 603634503 /nfs/dbraw/zinc/63/45/03/603634503.db2.gz MEEJVVQXGSRZPG-VXGBXAGGSA-N -1 0 336.457 3.700 20 0 EHADRM O=C([O-])N[C@H]1CC[C@@H](C(=O)Nc2ccc(COC3CCCC3)cc2)C1 ZINC000832288560 603658608 /nfs/dbraw/zinc/65/86/08/603658608.db2.gz UNZNALPVNVYQTM-ZBFHGGJFSA-N -1 0 346.427 3.521 20 0 EHADRM CSc1ccc(F)cc1CNC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000829766465 603734002 /nfs/dbraw/zinc/73/40/02/603734002.db2.gz IZRUEAWVOZLKKW-UHFFFAOYSA-N -1 0 334.372 3.568 20 0 EHADRM CCN(CC1CCN(C(=O)C[C@@H](C)c2ccccc2C)CC1)C(=O)[O-] ZINC000827059214 603743479 /nfs/dbraw/zinc/74/34/79/603743479.db2.gz IPRIWELUULPRKQ-MRXNPFEDSA-N -1 0 346.471 3.727 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N(CC2CCC2)CC(F)(F)F)cc1 ZINC000832828649 603757972 /nfs/dbraw/zinc/75/79/72/603757972.db2.gz JOCPCBKQCGAETL-UHFFFAOYSA-N -1 0 330.306 3.581 20 0 EHADRM Cc1cccc(C)c1NC(=S)N(C)CC[C@H](NC(=O)[O-])C(C)C ZINC000830489168 603831548 /nfs/dbraw/zinc/83/15/48/603831548.db2.gz QTXXDVDVUVEJHH-AWEZNQCLSA-N -1 0 337.489 3.614 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)c1cc(Cl)ccc1F ZINC000831793494 603942851 /nfs/dbraw/zinc/94/28/51/603942851.db2.gz LYXGTNKADZZIIH-UHFFFAOYSA-N -1 0 334.734 3.772 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000832296871 603944057 /nfs/dbraw/zinc/94/40/57/603944057.db2.gz LZYBONSLWYCKTC-IAGOWNOFSA-N -1 0 338.407 3.652 20 0 EHADRM CCC(CC)[C@H](NC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)c1cccs1 ZINC000826566802 603954751 /nfs/dbraw/zinc/95/47/51/603954751.db2.gz XPEVLMXPXYIDCA-IPYPFGDCSA-N -1 0 338.473 3.778 20 0 EHADRM CN(CC1CCCCC1)C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000828177276 603974781 /nfs/dbraw/zinc/97/47/81/603974781.db2.gz WKLVILSVCCWXBB-UHFFFAOYSA-N -1 0 331.416 3.771 20 0 EHADRM Cc1cccc([C@@H]2CCCCCN2C(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)c1 ZINC000830494287 603984776 /nfs/dbraw/zinc/98/47/76/603984776.db2.gz ZRHFUNKIKMDXIK-KSZLIROESA-N -1 0 344.455 3.875 20 0 EHADRM C[C@@H]1CCC[C@H](C)CN1C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000825886552 603988900 /nfs/dbraw/zinc/98/89/00/603988900.db2.gz IISFEUOGIKBMQZ-QWHCGFSZSA-N -1 0 331.416 3.770 20 0 EHADRM CCS[C@H]1CC[C@H](N(C)C(=O)Nc2ccc(NC(=O)[O-])cc2)C1 ZINC000827495341 603989614 /nfs/dbraw/zinc/98/96/14/603989614.db2.gz IVFDBVSCHGAMPH-KBPBESRZSA-N -1 0 337.445 3.914 20 0 EHADRM CC(C)C[C@@H]1CCN(C(=O)Nc2cccc3c2CCN3C(=O)[O-])C1 ZINC000824232845 603995936 /nfs/dbraw/zinc/99/59/36/603995936.db2.gz TXEZOYFZMMEGJW-ZDUSSCGKSA-N -1 0 331.416 3.627 20 0 EHADRM CC[C@H](Oc1ccccc1F)C(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000826631464 604019650 /nfs/dbraw/zinc/01/96/50/604019650.db2.gz KKFIGNROXRVLHS-HNNXBMFYSA-N -1 0 347.342 3.703 20 0 EHADRM O=C([O-])NCc1cccc(OCc2ncc(-c3ccccc3F)o2)c1 ZINC000832730927 604049916 /nfs/dbraw/zinc/04/99/16/604049916.db2.gz XQLBVCPJVDZWLJ-UHFFFAOYSA-N -1 0 342.326 3.827 20 0 EHADRM CCS[C@H]1CCC[C@H](NC(=O)c2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000827495675 604061683 /nfs/dbraw/zinc/06/16/83/604061683.db2.gz LFICCTCNEVWBOE-RYUDHWBXSA-N -1 0 340.420 3.710 20 0 EHADRM Cc1ccc(C(=O)N[C@](C)(C2CC2)C(F)(F)F)cc1NC(=O)[O-] ZINC000830205271 604089384 /nfs/dbraw/zinc/08/93/84/604089384.db2.gz NKWCOAJBJOWVEF-CQSZACIVSA-N -1 0 330.306 3.546 20 0 EHADRM O=C([O-])NC1(CC(=O)N2CCC[C@H]2c2ccccc2Cl)CCC1 ZINC000832198657 604110333 /nfs/dbraw/zinc/11/03/33/604110333.db2.gz DCFGUFMGOREPRS-AWEZNQCLSA-N -1 0 336.819 3.584 20 0 EHADRM CN(C(=O)Nc1ccc(F)cc1Cl)C1CCC(NC(=O)[O-])CC1 ZINC000827810037 604119299 /nfs/dbraw/zinc/11/92/99/604119299.db2.gz LXYNBKSIRJGHGA-UHFFFAOYSA-N -1 0 343.786 3.522 20 0 EHADRM COc1ccc(NC(=O)N2CCC[C@H]3CCC[C@@H]32)cc1NC(=O)[O-] ZINC000829460300 604135052 /nfs/dbraw/zinc/13/50/52/604135052.db2.gz JUFCJMATUFSXFE-RISCZKNCSA-N -1 0 333.388 3.582 20 0 EHADRM COc1cc(NC(=O)N2CCC[C@@H]3CCC[C@H]32)ccc1NC(=O)[O-] ZINC000829159669 604135399 /nfs/dbraw/zinc/13/53/99/604135399.db2.gz XADMRQROVCMNTR-SMDDNHRTSA-N -1 0 333.388 3.582 20 0 EHADRM CC(C)C[C@H](C)OCCC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000824182542 604172511 /nfs/dbraw/zinc/17/25/11/604172511.db2.gz KFFSRPIDTZAUKY-NSHDSACASA-N -1 0 326.368 3.695 20 0 EHADRM CC(C)C[C@H](C)OCCC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000824182075 604185034 /nfs/dbraw/zinc/18/50/34/604185034.db2.gz HJAMCCYNWVOSHC-ZDUSSCGKSA-N -1 0 334.416 3.507 20 0 EHADRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000825247590 604185141 /nfs/dbraw/zinc/18/51/41/604185141.db2.gz ZCOIPPFGHFSANN-GXSJLCMTSA-N -1 0 345.226 3.502 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@H](c3ccc(F)cc3)C2)cc1NC(=O)[O-] ZINC000830186394 604244338 /nfs/dbraw/zinc/24/43/38/604244338.db2.gz GXZHISJELWYQHU-HNNXBMFYSA-N -1 0 342.370 3.854 20 0 EHADRM C[C@H](OC(=O)c1ccc(CNC(=O)[O-])o1)c1cnc2ccccc2c1 ZINC000825601672 604247515 /nfs/dbraw/zinc/24/75/15/604247515.db2.gz AFRWKPNFDLHQSK-NSHDSACASA-N -1 0 340.335 3.513 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)CCSc2ccccc2)cc1 ZINC000740016421 604248944 /nfs/dbraw/zinc/24/89/44/604248944.db2.gz FDEZBMVWGPCOQJ-UHFFFAOYSA-N -1 0 344.436 3.618 20 0 EHADRM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)c2cccc(Cl)c2Cl)C1 ZINC000825243195 604259459 /nfs/dbraw/zinc/25/94/59/604259459.db2.gz CXUGLURVFHQMJY-UWVGGRQHSA-N -1 0 345.226 3.502 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])c(F)c1)[C@H]1CCCc2ccccc21 ZINC000830524319 604273945 /nfs/dbraw/zinc/27/39/45/604273945.db2.gz WVBNLOBLEPZBDH-KRWDZBQOSA-N -1 0 327.355 3.674 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(C(=O)[O-])s2)cc1-c1ncco1 ZINC000832948044 604274500 /nfs/dbraw/zinc/27/45/00/604274500.db2.gz OKWYXOUUSMSDFC-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM COc1cc(NC(=O)C2CCC(C)(C)CC2)c(C(=O)[O-])cc1OC ZINC000832017703 604276461 /nfs/dbraw/zinc/27/64/61/604276461.db2.gz ZKSUNVDWAJTLGJ-UHFFFAOYSA-N -1 0 335.400 3.557 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(-c3nccs3)c2)cc1F ZINC000833156789 604287077 /nfs/dbraw/zinc/28/70/77/604287077.db2.gz DPBMLVBFXRWXJK-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM C[C@H](c1ccccc1)N(C(=O)c1ccc(C(=O)[O-])c(F)c1)C1CC1 ZINC000827941506 604295812 /nfs/dbraw/zinc/29/58/12/604295812.db2.gz LFSPCKZMMITMNZ-GFCCVEGCSA-N -1 0 327.355 3.890 20 0 EHADRM C[C@H](CC(=O)Nc1ccc2[nH]ccc2c1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824696866 604298121 /nfs/dbraw/zinc/29/81/21/604298121.db2.gz WYCHRGFUNGKUGN-OCCSQVGLSA-N -1 0 329.400 3.523 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1sc2c(c1C)CCCC2 ZINC000832847095 604325122 /nfs/dbraw/zinc/32/51/22/604325122.db2.gz IPOMATHIKTWUFY-UHFFFAOYSA-N -1 0 332.425 3.831 20 0 EHADRM CCOCc1cccc(NC(=O)C[C@@H](C)[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000827410399 604328079 /nfs/dbraw/zinc/32/80/79/604328079.db2.gz ZBNHIVFPDHKWAQ-GDBMZVCRSA-N -1 0 348.443 3.578 20 0 EHADRM COc1ccc2c(c1)N(C(=O)c1ccc(C(=O)[O-])c(F)c1)CCCC2 ZINC000832493799 604336141 /nfs/dbraw/zinc/33/61/41/604336141.db2.gz UUFUQKFZPQKQQN-UHFFFAOYSA-N -1 0 343.354 3.516 20 0 EHADRM CC(C)[C@@H]1c2ccccc2CCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000826746921 604341197 /nfs/dbraw/zinc/34/11/97/604341197.db2.gz CMRYTBHLJHQZME-GOSISDBHSA-N -1 0 341.382 3.920 20 0 EHADRM CC(C)c1cc(NC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])no1 ZINC000827112688 604348282 /nfs/dbraw/zinc/34/82/82/604348282.db2.gz KIUVQBAVVQJDFQ-HNNXBMFYSA-N -1 0 345.399 3.772 20 0 EHADRM C[C@H](CC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824566240 604355901 /nfs/dbraw/zinc/35/59/01/604355901.db2.gz XTSLZBWNRIQKFG-NQNKBUKLSA-N -1 0 336.476 3.582 20 0 EHADRM C[C@@H](Cc1ccccc1)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000827593015 604375173 /nfs/dbraw/zinc/37/51/73/604375173.db2.gz YLQWXEZNFFEQJW-MAUKXSAKSA-N -1 0 339.435 3.834 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)Cc2cc(F)c(F)cc2F)c1 ZINC000833117657 604377204 /nfs/dbraw/zinc/37/72/04/604377204.db2.gz ZIEAMQHODCJBAS-UHFFFAOYSA-N -1 0 343.688 3.637 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)CCc1cccs1)c1ccccc1 ZINC000826088796 604379525 /nfs/dbraw/zinc/37/95/25/604379525.db2.gz BOBWJNVAJGUBAQ-INIZCTEOSA-N -1 0 331.437 3.649 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1ccc2ncccc2c1)c1ccccc1 ZINC000826103761 604385495 /nfs/dbraw/zinc/38/54/95/604385495.db2.gz WGNFDUPVVKFITK-SFHVURJKSA-N -1 0 348.402 3.817 20 0 EHADRM CC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000825951783 604391012 /nfs/dbraw/zinc/39/10/12/604391012.db2.gz OLDMWAQHKAEIMR-UHFFFAOYSA-N -1 0 335.718 3.632 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)NCc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000825022292 604446246 /nfs/dbraw/zinc/44/62/46/604446246.db2.gz DGBBSLPNBZDGDO-HUUCEWRRSA-N -1 0 340.423 3.510 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)c2cc3ccccc3o2)cc1 ZINC000825397164 604446982 /nfs/dbraw/zinc/44/69/82/604446982.db2.gz GZYJWNAWDXBKMQ-GFCCVEGCSA-N -1 0 338.363 3.691 20 0 EHADRM CCO[C@H](CC(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-])C(C)C ZINC000827372994 604456148 /nfs/dbraw/zinc/45/61/48/604456148.db2.gz TUNSRCFVLAIVAQ-MRXNPFEDSA-N -1 0 334.416 3.507 20 0 EHADRM CC(C)(C)O[C@H](C(=O)N1CCC(CCC(=O)[O-])CC1)c1ccccc1 ZINC000833446361 604462994 /nfs/dbraw/zinc/46/29/94/604462994.db2.gz XNNRTSXLLJICNK-SFHVURJKSA-N -1 0 347.455 3.646 20 0 EHADRM CC[C@@H](C)N1C(=O)N[C@@H](c2cscc2Cl)C(C(=O)[O-])=C1C ZINC000828753572 604463128 /nfs/dbraw/zinc/46/31/28/604463128.db2.gz RJNAIEDESDHJFA-KRTXAFLBSA-N -1 0 328.821 3.625 20 0 EHADRM COCCC1(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)CCCC1 ZINC000828941523 604477629 /nfs/dbraw/zinc/47/76/29/604477629.db2.gz UMIQULXIEHWOJJ-CYBMUJFWSA-N -1 0 334.416 3.551 20 0 EHADRM C[C@@]1(c2ccccc2)CCN(C(=O)Nc2cc(C(=O)[O-])cs2)C1 ZINC000828127549 604490042 /nfs/dbraw/zinc/49/00/42/604490042.db2.gz FPAPATCGCRHNRB-QGZVFWFLSA-N -1 0 330.409 3.642 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)Nc1cc(C(=O)[O-])cs1)C(C)C ZINC000832983968 604491031 /nfs/dbraw/zinc/49/10/31/604491031.db2.gz RPWVMBMDKDBNCQ-ZDUSSCGKSA-N -1 0 333.413 3.669 20 0 EHADRM C[C@H](NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])C1CCCC1 ZINC000827660093 604500695 /nfs/dbraw/zinc/50/06/95/604500695.db2.gz WQTHUGGNOPPUCU-BBRMVZONSA-N -1 0 332.444 3.716 20 0 EHADRM O=C([O-])c1csc(NC(=O)N[C@@H]2CCc3c2cccc3Cl)c1 ZINC000833150677 604512382 /nfs/dbraw/zinc/51/23/82/604512382.db2.gz JLDDHTNEGBDHOV-GFCCVEGCSA-N -1 0 336.800 3.909 20 0 EHADRM C[C@@H](CNC(=O)Nc1cc(C(=O)[O-])cs1)Sc1ccccc1 ZINC000827478595 604518050 /nfs/dbraw/zinc/51/80/50/604518050.db2.gz SJDKUJVUNRCFJD-JTQLQIEISA-N -1 0 336.438 3.749 20 0 EHADRM Cc1cc(-c2ccccc2)ccc1NC(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000740047621 604532499 /nfs/dbraw/zinc/53/24/99/604532499.db2.gz DDKMYBFJOSMRQF-MRXNPFEDSA-N -1 0 339.395 3.536 20 0 EHADRM Cc1cncc(/C=C\C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)c1 ZINC000832986746 604536331 /nfs/dbraw/zinc/53/63/31/604536331.db2.gz NEDADCUKPZQYGU-SREVYHEPSA-N -1 0 342.420 3.680 20 0 EHADRM COc1ccc(CCC(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC000832292371 604544392 /nfs/dbraw/zinc/54/43/92/604544392.db2.gz BIDBSVQDURAXED-LBPRGKRZSA-N -1 0 332.352 3.532 20 0 EHADRM CC(C)[C@H](CC(=O)NCCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000538575159 604547689 /nfs/dbraw/zinc/54/76/89/604547689.db2.gz OQJNRJPRLXCLDM-IBGZPJMESA-N -1 0 339.435 3.873 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2cc(-c3ccccc3)[nH]n2)oc1C(=O)[O-] ZINC000832876985 604551085 /nfs/dbraw/zinc/55/10/85/604551085.db2.gz WLDPQJJECPKYBJ-LLVKDONJSA-N -1 0 340.335 3.594 20 0 EHADRM CC(C)(C)Oc1cccc(COC(=O)c2ccccc2NC(=O)[O-])n1 ZINC000833446543 604551634 /nfs/dbraw/zinc/55/16/34/604551634.db2.gz AMIQZMFUXXAYFU-UHFFFAOYSA-N -1 0 344.367 3.706 20 0 EHADRM C[C@@H](NC(=O)NCCc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000325026891 604556936 /nfs/dbraw/zinc/55/69/36/604556936.db2.gz HXRGUHUNLMQQKN-GFCCVEGCSA-N -1 0 346.814 3.641 20 0 EHADRM Cc1cc([C@H](C)OC(=O)COc2cc(C)ccc2C)oc1C(=O)[O-] ZINC000832926088 604559424 /nfs/dbraw/zinc/55/94/24/604559424.db2.gz FSGSPYBBVNTWQH-ZDUSSCGKSA-N -1 0 332.352 3.586 20 0 EHADRM CCCc1nc(C)c(C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)s1 ZINC000829570096 604563645 /nfs/dbraw/zinc/56/36/45/604563645.db2.gz AKFYQMCEQHKBCC-SNVBAGLBSA-N -1 0 337.397 3.922 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2cnc(C(C)(C)C)s2)oc1C(=O)[O-] ZINC000832873457 604572769 /nfs/dbraw/zinc/57/27/69/604572769.db2.gz KGYQDXQZPXXDKT-SECBINFHSA-N -1 0 337.397 3.958 20 0 EHADRM C[C@@H](CC(=O)N1CCC[C@H]1CC(=O)[O-])c1ccccc1C(F)(F)F ZINC000262821056 604574281 /nfs/dbraw/zinc/57/42/81/604574281.db2.gz ANNIGEDYBGIPQS-RYUDHWBXSA-N -1 0 343.345 3.665 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000262840896 604574329 /nfs/dbraw/zinc/57/43/29/604574329.db2.gz CESBKBNQURNZHT-NSHDSACASA-N -1 0 327.833 3.531 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2csc(-c3ccoc3)n2)oc1C(=O)[O-] ZINC000832874807 604584379 /nfs/dbraw/zinc/58/43/79/604584379.db2.gz QCVZECNLGYOMHO-SECBINFHSA-N -1 0 347.348 3.921 20 0 EHADRM C[C@@H]1[C@@H](C)CCCN1C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833615019 604590393 /nfs/dbraw/zinc/59/03/93/604590393.db2.gz ZAUJSIJCWFGJLQ-QWHCGFSZSA-N -1 0 336.457 3.906 20 0 EHADRM Cc1cc([C@H](C)OC(=O)[C@H](C)Cc2ccccc2F)oc1C(=O)[O-] ZINC000832878953 604590621 /nfs/dbraw/zinc/59/06/21/604590621.db2.gz ZNMYEWWTGBADDD-NEPJUHHUSA-N -1 0 334.343 3.908 20 0 EHADRM CCOc1c(F)cccc1C(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000830026730 604592804 /nfs/dbraw/zinc/59/28/04/604592804.db2.gz AXOZFWWCNDINMZ-JTQLQIEISA-N -1 0 336.315 3.742 20 0 EHADRM Cc1cc([C@H](C)OC(=O)CCCc2csc(C)n2)oc1C(=O)[O-] ZINC000832998325 604596581 /nfs/dbraw/zinc/59/65/81/604596581.db2.gz OBKXACSGCOQZBY-JTQLQIEISA-N -1 0 337.397 3.678 20 0 EHADRM COc1ccc(C(C)(C)C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC000832216935 604617093 /nfs/dbraw/zinc/61/70/93/604617093.db2.gz XRCBNHISCLDPQG-LBPRGKRZSA-N -1 0 346.379 3.877 20 0 EHADRM CCCn1ccc2cc(NC(=O)N3CCC[C@H]3CC(=O)[O-])ccc21 ZINC000829585297 604628181 /nfs/dbraw/zinc/62/81/81/604628181.db2.gz MRACJPWPZIDPCA-HNNXBMFYSA-N -1 0 329.400 3.522 20 0 EHADRM CS[C@@H]1CCCCN(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC000832747928 604630739 /nfs/dbraw/zinc/63/07/39/604630739.db2.gz SHYSDLRQUOIQBW-CYBMUJFWSA-N -1 0 342.848 3.788 20 0 EHADRM CC(C)(C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1)C1CCCC1 ZINC000833411411 604638908 /nfs/dbraw/zinc/63/89/08/604638908.db2.gz FVVIQKHMJSWMAG-UHFFFAOYSA-N -1 0 347.440 3.991 20 0 EHADRM CCOc1ccc(NCc2cc(C)c(OCC(=O)[O-])c(C)c2)cc1F ZINC000830085182 604643371 /nfs/dbraw/zinc/64/33/71/604643371.db2.gz SCMJVEFVMKHSFV-UHFFFAOYSA-N -1 0 347.386 3.917 20 0 EHADRM COc1ccc2oc(CN(C)[C@H](C(=O)[O-])c3ccccc3)cc2c1 ZINC000833735138 604648495 /nfs/dbraw/zinc/64/84/95/604648495.db2.gz RKCZWVVIWHGLBN-SFHVURJKSA-N -1 0 325.364 3.699 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)/C=C/c2ccnc(Cl)c2)cc1 ZINC000833417940 604660779 /nfs/dbraw/zinc/66/07/79/604660779.db2.gz CQUZHQZMBHLDNG-FPYGCLRLSA-N -1 0 344.798 3.749 20 0 EHADRM CCc1ccc([C@@H](C)NC(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC000262233282 604666089 /nfs/dbraw/zinc/66/60/89/604666089.db2.gz SQBCDQKVINKUCH-CQSZACIVSA-N -1 0 325.408 3.757 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@H]1CC(=O)[O-])c1cccc2ccccc21 ZINC000827653319 604673127 /nfs/dbraw/zinc/67/31/27/604673127.db2.gz NLNCPWRSZTWJKJ-ZFWWWQNUSA-N -1 0 326.396 3.550 20 0 EHADRM CC(C)N(Cc1csc(-c2cccc(C(=O)[O-])c2)n1)CC(F)F ZINC000826951835 604677519 /nfs/dbraw/zinc/67/75/19/604677519.db2.gz RFKZMFUWAMFQNA-UHFFFAOYSA-N -1 0 340.395 3.984 20 0 EHADRM CCCCC[C@H](NC(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccccc1 ZINC000829327176 604685170 /nfs/dbraw/zinc/68/51/70/604685170.db2.gz WNXNECKCLQKMNZ-SJORKVTESA-N -1 0 332.444 3.957 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(C)c(C)o2)cc1 ZINC000237361079 604685928 /nfs/dbraw/zinc/68/59/28/604685928.db2.gz BTSGICIDIHYWBL-AWEZNQCLSA-N -1 0 333.409 3.564 20 0 EHADRM O=C([O-])CCCc1csc(NC(=O)c2ccc(F)c(Cl)c2)n1 ZINC000316872214 604705714 /nfs/dbraw/zinc/70/57/14/604705714.db2.gz VBRKMTVAQCDOLL-UHFFFAOYSA-N -1 0 342.779 3.595 20 0 EHADRM COc1ccc(CCC2CCN(c3cccc(C(=O)[O-])n3)CC2)cc1 ZINC000833731455 604709823 /nfs/dbraw/zinc/70/98/23/604709823.db2.gz CPJVUPBYLXRAEC-UHFFFAOYSA-N -1 0 340.423 3.638 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OCc1nc(-c2ccc(F)c(F)c2)no1 ZINC000832919153 604712506 /nfs/dbraw/zinc/71/25/06/604712506.db2.gz WDBXDCPKXCXVFR-UHFFFAOYSA-N -1 0 346.289 3.600 20 0 EHADRM O=C([O-])COc1ccc(C(=O)N2CCC[C@@H]2CCC2CCCC2)cc1 ZINC000833252757 604714605 /nfs/dbraw/zinc/71/46/05/604714605.db2.gz AGGPVIOQUJXZPF-QGZVFWFLSA-N -1 0 345.439 3.725 20 0 EHADRM CC(C)N(Cc1cccc(F)c1)C(=O)CCc1ccccc1C(=O)[O-] ZINC000833498563 604721343 /nfs/dbraw/zinc/72/13/43/604721343.db2.gz QSAONZCFAVQRQP-UHFFFAOYSA-N -1 0 343.398 3.894 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NCCCc1cccs1)C(=O)[O-] ZINC000668298799 604742758 /nfs/dbraw/zinc/74/27/58/604742758.db2.gz KRJJUYUIIAWEMP-LBPRGKRZSA-N -1 0 349.477 3.676 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)C[C@H](C)C2CCN(C(=O)[O-])CC2)s1 ZINC000830250950 604743855 /nfs/dbraw/zinc/74/38/55/604743855.db2.gz LJIYEDAHTKXZNZ-AAEUAGOBSA-N -1 0 338.473 3.650 20 0 EHADRM CC(C)[C@@H](c1ccccc1)N(C)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000262145081 604743917 /nfs/dbraw/zinc/74/39/17/604743917.db2.gz IYBJMOFBYXYJKL-IBGZPJMESA-N -1 0 325.408 3.783 20 0 EHADRM Cc1ccccc1-c1nc(CN2CC[C@H](C(=O)[O-])c3ccccc32)no1 ZINC000565648639 604771030 /nfs/dbraw/zinc/77/10/30/604771030.db2.gz SAOXEEPNYINOLV-INIZCTEOSA-N -1 0 349.390 3.624 20 0 EHADRM Cc1c(C(=O)[O-])sc2[nH]c(Cc3c(C)cc(C)cc3C)nc(=O)c12 ZINC000832878812 604772188 /nfs/dbraw/zinc/77/21/88/604772188.db2.gz YMKXLJVOTGXRSK-UHFFFAOYSA-N -1 0 342.420 3.507 20 0 EHADRM O=C([O-])c1occc1CNc1ccccc1OCc1cscn1 ZINC000833785443 604779298 /nfs/dbraw/zinc/77/92/98/604779298.db2.gz WAVMREYSQVOVJL-UHFFFAOYSA-N -1 0 330.365 3.625 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccc(Cl)s1 ZINC000827694455 604809489 /nfs/dbraw/zinc/80/94/89/604809489.db2.gz GNDNAOHJOWNJDJ-ZETCQYMHSA-N -1 0 327.764 3.730 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)cc1F ZINC000833157932 604811856 /nfs/dbraw/zinc/81/18/56/604811856.db2.gz JXDXXQHCCRBQJQ-UHFFFAOYSA-N -1 0 340.310 3.795 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCc2csc3ccccc23)cc1F ZINC000833147428 604813288 /nfs/dbraw/zinc/81/32/88/604813288.db2.gz CTYVVZDHZBGPEL-UHFFFAOYSA-N -1 0 329.352 3.669 20 0 EHADRM CC1(C)CCCC[C@H]1CC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833560115 604814259 /nfs/dbraw/zinc/81/42/59/604814259.db2.gz AIKWGMXNJGGYIG-KRWDZBQOSA-N -1 0 329.440 3.876 20 0 EHADRM Cc1ccccc1Sc1ccc(C(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000832981970 604817130 /nfs/dbraw/zinc/81/71/30/604817130.db2.gz RVIRRFLXQIWDTQ-INIZCTEOSA-N -1 0 341.432 3.835 20 0 EHADRM C[C@H](OC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1c(F)cc(F)cc1F ZINC000827828358 604820386 /nfs/dbraw/zinc/82/03/86/604820386.db2.gz ZMDKHNZHGGFSLU-GUBZILKMSA-N -1 0 330.302 3.599 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccc(F)cc1Cl ZINC000827695240 604823151 /nfs/dbraw/zinc/82/31/51/604823151.db2.gz PMCZGKZSYQUWAT-QMMMGPOBSA-N -1 0 339.725 3.807 20 0 EHADRM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828149438 604827914 /nfs/dbraw/zinc/82/79/14/604827914.db2.gz IYFVCNRGRYNRQZ-DOMZBBRYSA-N -1 0 327.355 3.542 20 0 EHADRM Cc1ccc2cc(C(=O)N[C@H](c3ccccc3)[C@H](C)C(=O)[O-])ccc2n1 ZINC000832961742 604828973 /nfs/dbraw/zinc/82/89/73/604828973.db2.gz AWSRUSFBZAITQG-LIRRHRJNSA-N -1 0 348.402 3.735 20 0 EHADRM C[C@H](CSCc1ccccc1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000827580437 604831564 /nfs/dbraw/zinc/83/15/64/604831564.db2.gz CECOWBVUEKZCOZ-LLVKDONJSA-N -1 0 335.450 3.954 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1CC=C(c2cccc(C)c2)CC1 ZINC000833752136 604835682 /nfs/dbraw/zinc/83/56/82/604835682.db2.gz AOIDIUNJYJBJBE-UHFFFAOYSA-N -1 0 338.407 3.568 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)[C@@H]1CCCc2sccc21)c1ccccc1 ZINC000325875017 604861672 /nfs/dbraw/zinc/86/16/72/604861672.db2.gz MPHWIRQITIXMBP-CVEARBPZSA-N -1 0 343.448 3.890 20 0 EHADRM CC(C)c1ccc([C@@H]2CCCN2C(=O)CCSCC(=O)[O-])cc1 ZINC000833510071 604864634 /nfs/dbraw/zinc/86/46/34/604864634.db2.gz JQODCYPAQMVRDO-INIZCTEOSA-N -1 0 335.469 3.681 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccccc1 ZINC000013223976 604865024 /nfs/dbraw/zinc/86/50/24/604865024.db2.gz QUXSBZYKJSBYHP-YCABEKBOSA-N -1 0 329.783 3.685 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CCC(=O)N(C)C2(C(=O)[O-])CCCCC2)o1 ZINC000326575824 604868420 /nfs/dbraw/zinc/86/84/20/604868420.db2.gz HLUXIKVODGDBGK-DZGCQCFKSA-N -1 0 333.428 3.582 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)Nc2cccc3cccnc32)C1 ZINC000326846352 604876019 /nfs/dbraw/zinc/87/60/19/604876019.db2.gz CQBRXXTYHCMAMC-AWEZNQCLSA-N -1 0 341.411 3.590 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)C1 ZINC000679105376 604879620 /nfs/dbraw/zinc/87/96/20/604879620.db2.gz NPAXHVKCLPJQLZ-KBMXLJTQSA-N -1 0 349.858 3.793 20 0 EHADRM CCCc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)sc1C ZINC000013224959 604881969 /nfs/dbraw/zinc/88/19/69/604881969.db2.gz XWLVQLGJCKBXMK-OAHLLOKOSA-N -1 0 331.437 3.955 20 0 EHADRM CSC[C@@H](C)C(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000833737807 604882833 /nfs/dbraw/zinc/88/28/33/604882833.db2.gz GIFZUYURLVVAPH-KCJUWKMLSA-N -1 0 336.331 3.531 20 0 EHADRM CCCC[C@@H](Cc1ccccn1)OC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000829284315 604882949 /nfs/dbraw/zinc/88/29/49/604882949.db2.gz AFSARUFCZQKSKW-HNNXBMFYSA-N -1 0 345.370 3.877 20 0 EHADRM Cc1cccc(-c2cncc(C(=O)Oc3cccc(CC(=O)[O-])c3)c2)c1 ZINC000832960847 604883960 /nfs/dbraw/zinc/88/39/60/604883960.db2.gz LQOYVODKDNTIFW-UHFFFAOYSA-N -1 0 347.370 3.903 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)[C@H]1CCCc2sccc21 ZINC000833031982 604887565 /nfs/dbraw/zinc/88/75/65/604887565.db2.gz RLTYTEJGVKHCPK-LBPRGKRZSA-N -1 0 336.434 3.980 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)CCc2cccc(Cl)c2)C1 ZINC000679105271 604889010 /nfs/dbraw/zinc/88/90/10/604889010.db2.gz ISSFMHRBIDYNBZ-CQSZACIVSA-N -1 0 337.847 3.622 20 0 EHADRM C[C@@H]1CCc2c(C(=O)N3CCC[C@@H](C(C)(C)C(=O)[O-])C3)csc2C1 ZINC000392018710 604889892 /nfs/dbraw/zinc/88/98/92/604889892.db2.gz XGYSOOLRGJISAY-CHWSQXEVSA-N -1 0 349.496 3.836 20 0 EHADRM C[C@@]1(NC(=O)Cc2ccc3ccccc3c2)CCCC[C@H]1C(=O)[O-] ZINC000262807607 604890073 /nfs/dbraw/zinc/89/00/73/604890073.db2.gz OMONYIOOYKDREW-FXAWDEMLSA-N -1 0 325.408 3.532 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)c2ccccc2n1 ZINC000326956604 604891136 /nfs/dbraw/zinc/89/11/36/604891136.db2.gz ZZVADAXDFYCGFR-AWEZNQCLSA-N -1 0 340.423 3.506 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2ccc(OC3CCC3)cc2)C1 ZINC000833417624 604891394 /nfs/dbraw/zinc/89/13/94/604891394.db2.gz AXDMLRHSXLSEGT-HNNXBMFYSA-N -1 0 345.439 3.581 20 0 EHADRM Cc1cc(C)cc(CCC(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000761625165 604904432 /nfs/dbraw/zinc/90/44/32/604904432.db2.gz CJKYSGOSIKPADM-LJQANCHMSA-N -1 0 325.408 3.520 20 0 EHADRM CC(C)CC[C@@H]1CCCN1C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC000833479924 604923594 /nfs/dbraw/zinc/92/35/94/604923594.db2.gz CQBDSDLSSJSDKW-ZDUSSCGKSA-N -1 0 344.415 3.694 20 0 EHADRM CC(C)C[C@H]1CCCN(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)C1 ZINC000833484620 604923608 /nfs/dbraw/zinc/92/36/08/604923608.db2.gz YCNJMIKOABJVGN-GFCCVEGCSA-N -1 0 344.415 3.551 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1F ZINC000833154406 604925278 /nfs/dbraw/zinc/92/52/78/604925278.db2.gz ZZXXPWHYPGLSLE-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM Cc1cccc([C@@H](C)C(=O)N(CCCC(=O)[O-])Cc2ccccc2)c1 ZINC000237449557 604936808 /nfs/dbraw/zinc/93/68/08/604936808.db2.gz UYHURMZIWMIDPT-QGZVFWFLSA-N -1 0 339.435 3.992 20 0 EHADRM C[C@@H](Cc1ccccc1)C(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC000237345905 604936851 /nfs/dbraw/zinc/93/68/51/604936851.db2.gz BWAAHDDBHGNGOS-KRWDZBQOSA-N -1 0 339.435 3.759 20 0 EHADRM O=C([O-])c1ccc2c(=O)[nH]c(C=Cc3cscc3Cl)nc2c1 ZINC000833325358 604974667 /nfs/dbraw/zinc/97/46/67/604974667.db2.gz OLOYMXAXACSZJO-RQOWECAXSA-N -1 0 332.768 3.919 20 0 EHADRM O=C([O-])[C@H](Nc1cccc(C2SCCS2)c1)c1cccnc1 ZINC000833168425 604988534 /nfs/dbraw/zinc/98/85/34/604988534.db2.gz ASCCXPFNRURHQA-CQSZACIVSA-N -1 0 332.450 3.798 20 0 EHADRM CCC[C@@H]1CCCC[C@@H]1NC(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000829257261 604989946 /nfs/dbraw/zinc/98/99/46/604989946.db2.gz XMLYIUKQRVPOOI-YPMHNXCESA-N -1 0 339.461 3.641 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2c[nH]c3cc(Cl)ccc32)C1 ZINC000833418241 604994721 /nfs/dbraw/zinc/99/47/21/604994721.db2.gz KOECUIPVSYOLMH-LLVKDONJSA-N -1 0 348.830 3.784 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)C/C=C/c2cccc(F)c2)C1 ZINC000679102642 604995372 /nfs/dbraw/zinc/99/53/72/604995372.db2.gz CNXMOZFXADHVNK-SZTZYQKNSA-N -1 0 333.403 3.578 20 0 EHADRM Cc1scc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1C ZINC000833759127 605016049 /nfs/dbraw/zinc/01/60/49/605016049.db2.gz OVVILCRQRRTACX-ZDUSSCGKSA-N -1 0 341.791 3.713 20 0 EHADRM C[C@H](C(=O)Nc1ccc(F)c(NC(=O)[O-])c1)c1c(F)cccc1F ZINC000833408749 605030246 /nfs/dbraw/zinc/03/02/46/605030246.db2.gz IWPBUMMEOSTRAO-QMMMGPOBSA-N -1 0 338.285 3.936 20 0 EHADRM Cc1ccc(F)c(NC(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000263492683 605036843 /nfs/dbraw/zinc/03/68/43/605036843.db2.gz PLJXSKXJAIAWAE-OAHLLOKOSA-N -1 0 344.386 3.732 20 0 EHADRM CC(C)OCc1ccc(C(=O)OCc2ccccc2CC(=O)[O-])cc1 ZINC000833505446 605054529 /nfs/dbraw/zinc/05/45/29/605054529.db2.gz KHENNBAFZMZVKP-UHFFFAOYSA-N -1 0 342.391 3.596 20 0 EHADRM C/C(=C\C(=O)OCc1ccccc1CC(=O)[O-])c1ccc(F)cc1 ZINC000833383366 605055251 /nfs/dbraw/zinc/05/52/51/605055251.db2.gz NDMOCROIGUFKBN-JLHYYAGUSA-N -1 0 328.339 3.600 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000190661637 605067873 /nfs/dbraw/zinc/06/78/73/605067873.db2.gz YMZAYOFANLBVBQ-CQSZACIVSA-N -1 0 335.469 3.518 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CC(=O)N[C@H](CCC(=O)[O-])c2ccccc2)CCO1 ZINC000833469558 605074654 /nfs/dbraw/zinc/07/46/54/605074654.db2.gz BJJQPIPAGANDSO-JQHSSLGASA-N -1 0 347.455 3.550 20 0 EHADRM CC(C)[C@H]1C[C@@H](CC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CCO1 ZINC000833469468 605076598 /nfs/dbraw/zinc/07/65/98/605076598.db2.gz AFBWDJIXBXXBOX-XHDPSFHLSA-N -1 0 339.819 3.818 20 0 EHADRM Cc1c(NC(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])cccc1N(C)C ZINC000833742553 605081569 /nfs/dbraw/zinc/08/15/69/605081569.db2.gz UTTXEBNBEMNWDF-GDBMZVCRSA-N -1 0 347.459 3.606 20 0 EHADRM Cc1cc(-c2ccccc2)ccc1NC(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000740047619 605084333 /nfs/dbraw/zinc/08/43/33/605084333.db2.gz DDKMYBFJOSMRQF-INIZCTEOSA-N -1 0 339.395 3.536 20 0 EHADRM CCCN(C(=O)C1CCC(C(=O)[O-])CC1)[C@H]1CCc2ccccc21 ZINC000833651659 605085436 /nfs/dbraw/zinc/08/54/36/605085436.db2.gz UESZPWIJXLPFJM-HTWSVDAQSA-N -1 0 329.440 3.804 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)Oc1ccccc1CC(=O)[O-] ZINC000833514965 605086859 /nfs/dbraw/zinc/08/68/59/605086859.db2.gz HVDNSYCEPQPGIX-HNNXBMFYSA-N -1 0 326.392 3.878 20 0 EHADRM C[C@H]1CC[C@H](NC(=O)NCc2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC000833602264 605090037 /nfs/dbraw/zinc/09/00/37/605090037.db2.gz AZXHINNGVOSZAW-UGSOOPFHSA-N -1 0 338.407 3.823 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc(N2CCCC2)cc1C)C(=O)[O-] ZINC000424481312 605091521 /nfs/dbraw/zinc/09/15/21/605091521.db2.gz ZMRFSHGPOSHFTF-UHFFFAOYSA-N -1 0 347.459 3.608 20 0 EHADRM C[C@H](OC(=O)CC(C)(C)CC(=O)[O-])c1c(F)cccc1-n1cccn1 ZINC000833531754 605110808 /nfs/dbraw/zinc/11/08/08/605110808.db2.gz ZZMASILDWHWMNR-LBPRGKRZSA-N -1 0 348.374 3.507 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCC(C(F)F)CC2)c(Cl)c1 ZINC000832829690 605131785 /nfs/dbraw/zinc/13/17/85/605131785.db2.gz ZTRFPZAJGDSUNS-UHFFFAOYSA-N -1 0 332.734 3.547 20 0 EHADRM CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2ccc(C)cc2C(=O)[O-])C1 ZINC000833668562 605136804 /nfs/dbraw/zinc/13/68/04/605136804.db2.gz SRBBYSVIZYSHMQ-QWHCGFSZSA-N -1 0 336.457 3.831 20 0 EHADRM CCC(CC)n1nc(C(=O)Nc2cccc(NC(=O)[O-])c2)cc1C ZINC000833641496 605139210 /nfs/dbraw/zinc/13/92/10/605139210.db2.gz BWPYIJMFENGPTG-UHFFFAOYSA-N -1 0 330.388 3.895 20 0 EHADRM CC(C)(CNC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)C1CCCC1 ZINC000833457703 605146715 /nfs/dbraw/zinc/14/67/15/605146715.db2.gz QWMHFBAGMOJKLB-UHFFFAOYSA-N -1 0 330.428 3.626 20 0 EHADRM CC1(C)CC[C@@H]2C[C@@H](NC(=O)CCSCC(=O)[O-])c3cccc1c32 ZINC000833558123 605160657 /nfs/dbraw/zinc/16/06/57/605160657.db2.gz DQBAJFSDVAFWFI-IUODEOHRSA-N -1 0 347.480 3.611 20 0 EHADRM CC[C@](NC(=O)c1ccc(F)c(SC)c1)(C(=O)[O-])c1ccccc1 ZINC000833643055 605161623 /nfs/dbraw/zinc/16/16/23/605161623.db2.gz MCRANPMPZOSTRF-GOSISDBHSA-N -1 0 347.411 3.668 20 0 EHADRM C[C@H](SCCOc1ccccc1C(=O)[O-])C(=O)Nc1ccccc1 ZINC000833543113 605162021 /nfs/dbraw/zinc/16/20/21/605162021.db2.gz OBPDENSCKKTTKD-ZDUSSCGKSA-N -1 0 345.420 3.524 20 0 EHADRM C[C@@H]1CCC[C@H](OCCCCCC(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC000833608074 605171832 /nfs/dbraw/zinc/17/18/32/605171832.db2.gz LUQUYUXMOZNGLW-PBHICJAKSA-N -1 0 348.443 3.874 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NCc1nc(C2CCCC2)no1)c1ccccc1 ZINC000833412487 605184639 /nfs/dbraw/zinc/18/46/39/605184639.db2.gz AMVSODZSIRGROF-INIZCTEOSA-N -1 0 343.427 3.669 20 0 EHADRM CCn1cc(C(=O)Nc2scc(C(=O)[O-])c2C)c2ccccc21 ZINC000833682829 605186389 /nfs/dbraw/zinc/18/63/89/605186389.db2.gz VFHYBGWZPXBLIL-UHFFFAOYSA-N -1 0 328.393 3.982 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2(c3ccc(F)cc3F)CCC2)cc1 ZINC000190602630 605200557 /nfs/dbraw/zinc/20/05/57/605200557.db2.gz KFMPSKBOCYBIEC-UHFFFAOYSA-N -1 0 331.318 3.723 20 0 EHADRM CC[C@@H](C)Oc1cc(C(=O)Nc2cccc(C(=O)[O-])c2C)ccn1 ZINC000683303735 605203176 /nfs/dbraw/zinc/20/31/76/605203176.db2.gz IUJZUCKEEYOMGX-LLVKDONJSA-N -1 0 328.368 3.518 20 0 EHADRM CC(C)Oc1cccc([C@@H](C)NC(=O)C2CCC(C(=O)[O-])CC2)c1 ZINC000194391908 605222938 /nfs/dbraw/zinc/22/29/38/605222938.db2.gz ZMXYLXKYJYTUFZ-WLYUNCDWSA-N -1 0 333.428 3.542 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ncccc1OCC1CCCCC1 ZINC000833456419 605223841 /nfs/dbraw/zinc/22/38/41/605223841.db2.gz MTGTZDMFGUFSOY-UHFFFAOYSA-N -1 0 348.443 3.870 20 0 EHADRM C[C@@H](C(=O)N(CCc1ccccc1)CC(=O)[O-])c1cccc(Cl)c1 ZINC000427733321 605228114 /nfs/dbraw/zinc/22/81/14/605228114.db2.gz GCVBJZKABLEIAF-CQSZACIVSA-N -1 0 345.826 3.599 20 0 EHADRM CCC(CC)n1nc(C)cc1-c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000833641543 605230395 /nfs/dbraw/zinc/23/03/95/605230395.db2.gz FFRVYGIFZPYEDL-UHFFFAOYSA-N -1 0 340.383 3.968 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000448988515 605240761 /nfs/dbraw/zinc/24/07/61/605240761.db2.gz FETOWBJFXRSTJF-BBRMVZONSA-N -1 0 331.437 3.649 20 0 EHADRM CN(Cc1cc(F)c(F)c(F)c1)[C@@H](C(=O)[O-])c1ccccc1F ZINC000833694304 605247050 /nfs/dbraw/zinc/24/70/50/605247050.db2.gz PJRFJCYRDQYUGE-OAHLLOKOSA-N -1 0 327.277 3.501 20 0 EHADRM O=C([O-])N(CC(=O)N1CCC[C@@H]1c1cccs1)c1ccccc1 ZINC000831819866 605249287 /nfs/dbraw/zinc/24/92/87/605249287.db2.gz AUTKGXFWLQBIJS-CQSZACIVSA-N -1 0 330.409 3.596 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000262742972 605251413 /nfs/dbraw/zinc/25/14/13/605251413.db2.gz HANSPBXOTWTAGH-VQIMIIECSA-N -1 0 339.435 3.630 20 0 EHADRM C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CC(C)(C)CC(=O)[O-] ZINC000191572546 605254311 /nfs/dbraw/zinc/25/43/11/605254311.db2.gz ANFGQQYUPLTNCL-NSHDSACASA-N -1 0 334.441 3.707 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)Nc1ncc(C2CCCCC2)s1 ZINC000833484442 605258285 /nfs/dbraw/zinc/25/82/85/605258285.db2.gz OSKYELJUPRSWLH-GFCCVEGCSA-N -1 0 339.461 3.812 20 0 EHADRM CC(C)[C@@H]1c2ccccc2CCN1C(=O)Cc1ccccc1C(=O)[O-] ZINC000833472810 605260719 /nfs/dbraw/zinc/26/07/19/605260719.db2.gz CSIYTIVBYGZBHH-HXUWFJFHSA-N -1 0 337.419 3.709 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)[C@H](F)Cc1ccccc1)c1ccccc1 ZINC000833411329 605297538 /nfs/dbraw/zinc/29/75/38/605297538.db2.gz CHJXFIKFHSXFKG-SJORKVTESA-N -1 0 343.398 3.536 20 0 EHADRM CC(C)(C(=O)OCc1ccc(NC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000833419386 605303322 /nfs/dbraw/zinc/30/33/22/605303322.db2.gz SPXHTVWWIGWSJK-UHFFFAOYSA-N -1 0 331.343 3.937 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)OCc1ccc(NC(=O)[O-])cc1 ZINC000833535922 605303743 /nfs/dbraw/zinc/30/37/43/605303743.db2.gz MQFONHRUZZZMMS-ZDUSSCGKSA-N -1 0 335.400 3.948 20 0 EHADRM CC[C@H](C)Oc1cc(C(=O)OCc2ccc(NC(=O)[O-])cc2)ccn1 ZINC000833640833 605304271 /nfs/dbraw/zinc/30/42/71/605304271.db2.gz GHNZWTJHRWECPX-LBPRGKRZSA-N -1 0 344.367 3.706 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000833772770 605308290 /nfs/dbraw/zinc/30/82/90/605308290.db2.gz KFUDUPSGPXYANS-CQSZACIVSA-N -1 0 337.297 3.651 20 0 EHADRM CCC(CC)[C@H]1C[C@@H](NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)CCO1 ZINC000833642729 605398311 /nfs/dbraw/zinc/39/83/11/605398311.db2.gz RLTLSXONWBRDHU-DOTOQJQBSA-N -1 0 348.443 3.799 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)O[C@@H]1CCOc2c(Cl)cccc21 ZINC000833456724 605428543 /nfs/dbraw/zinc/42/85/43/605428543.db2.gz XJSAQSYBRSFSGX-GFCCVEGCSA-N -1 0 326.776 3.598 20 0 EHADRM CC(C)(C)Sc1cc(C(=O)Nc2ccccc2CC(=O)[O-])ccn1 ZINC000833448316 605456409 /nfs/dbraw/zinc/45/64/09/605456409.db2.gz ZOZJAILSBSQIRG-UHFFFAOYSA-N -1 0 344.436 3.852 20 0 EHADRM CC(C)(C)Sc1cc(C(=O)OCc2occc2C(=O)[O-])ccn1 ZINC000833448204 605458086 /nfs/dbraw/zinc/45/80/86/605458086.db2.gz QFGDOWPWUSRRLQ-UHFFFAOYSA-N -1 0 335.381 3.620 20 0 EHADRM CC(C)CC1(C(=O)N(C)c2ccc(OCC(=O)[O-])cc2)CCCC1 ZINC000833482148 605458279 /nfs/dbraw/zinc/45/82/79/605458279.db2.gz ZIYQQPRVJCYNCD-UHFFFAOYSA-N -1 0 333.428 3.719 20 0 EHADRM C[C@@H](C(=O)O[C@H](C(=O)[O-])c1c(F)cccc1Cl)c1ccco1 ZINC000833404982 605510014 /nfs/dbraw/zinc/51/00/14/605510014.db2.gz AJZVFRXIESNPML-OQPBUACISA-N -1 0 326.707 3.545 20 0 EHADRM CCCN(C(=O)Nc1ccc(F)c(C)c1)C1CCN(C(=O)[O-])CC1 ZINC000826879148 605542812 /nfs/dbraw/zinc/54/28/12/605542812.db2.gz GUAGIOZDTJYLCS-UHFFFAOYSA-N -1 0 337.395 3.520 20 0 EHADRM O=C([O-])Nc1ccc(Cc2nc(C(=O)OC3CCC3)cs2)cc1 ZINC000834260008 605591594 /nfs/dbraw/zinc/59/15/94/605591594.db2.gz KIGUEUDOCKLLAB-UHFFFAOYSA-N -1 0 332.381 3.533 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCC[C@H]2c2cccc(F)c2)c(O)c1 ZINC000834258119 605643156 /nfs/dbraw/zinc/64/31/56/605643156.db2.gz MAYFTWROOJRELK-HNNXBMFYSA-N -1 0 344.342 3.599 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)c3c[nH]c4cccc(F)c34)ccc21 ZINC000834053910 605645026 /nfs/dbraw/zinc/64/50/26/605645026.db2.gz PYCMOZSDXGPOQY-UHFFFAOYSA-N -1 0 339.326 3.600 20 0 EHADRM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000833603449 605675785 /nfs/dbraw/zinc/67/57/85/605675785.db2.gz BEDPNPXQTRWJCP-AAEUAGOBSA-N -1 0 343.345 3.507 20 0 EHADRM Cc1ccc(C(=O)N2CCCc3ccc(F)c(F)c32)cc1NC(=O)[O-] ZINC000833904446 605685122 /nfs/dbraw/zinc/68/51/22/605685122.db2.gz SXOWVBISGVLFKJ-UHFFFAOYSA-N -1 0 346.333 3.956 20 0 EHADRM Cc1cc(C(=O)NCC(C)(C)c2cccs2)ccc1NC(=O)[O-] ZINC000829946094 605690525 /nfs/dbraw/zinc/69/05/25/605690525.db2.gz OZISHZWGEIUSCG-UHFFFAOYSA-N -1 0 332.425 3.854 20 0 EHADRM O=C([O-])N1CCC[C@@H](Nc2cccc(COCc3ccco3)c2)C1 ZINC000834102328 605694499 /nfs/dbraw/zinc/69/44/99/605694499.db2.gz BMBZCBOPZDVURN-MRXNPFEDSA-N -1 0 330.384 3.551 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)c2ccc(F)c(Cl)c2)c1 ZINC000829469134 605697425 /nfs/dbraw/zinc/69/74/25/605697425.db2.gz DHIKECRKCYNMRM-UHFFFAOYSA-N -1 0 338.722 3.830 20 0 EHADRM O=C([O-])N1CCCCC[C@@H]1c1noc(CCC(=O)c2cccs2)n1 ZINC000834001691 605724406 /nfs/dbraw/zinc/72/44/06/605724406.db2.gz VHXPRRYOGKJHPG-LLVKDONJSA-N -1 0 349.412 3.542 20 0 EHADRM CC(C)(C)c1cc(C(=O)N2CC[C@@H](C(=O)[O-])C2)cc(C(C)(C)C)c1O ZINC000263583159 605752055 /nfs/dbraw/zinc/75/20/55/605752055.db2.gz ZNUYUTWRIGLCSJ-GFCCVEGCSA-N -1 0 347.455 3.534 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)Nc2ncccc2-c2ccccc2)cc1 ZINC000834249007 605754086 /nfs/dbraw/zinc/75/40/86/605754086.db2.gz MJNWRNPCAMXLBI-UHFFFAOYSA-N -1 0 347.374 3.769 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2ccc(F)cc2NC2CC2)ccc1F ZINC000832820934 605787375 /nfs/dbraw/zinc/78/73/75/605787375.db2.gz PKPWZWYHDUMYNT-UHFFFAOYSA-N -1 0 347.321 3.881 20 0 EHADRM C[C@@H](OC(=O)CCc1ccc(C(=O)[O-])cc1)c1nc(C2CC2)cs1 ZINC000833528868 605795540 /nfs/dbraw/zinc/79/55/40/605795540.db2.gz LVWPFOAMBPLEBF-LLVKDONJSA-N -1 0 345.420 3.956 20 0 EHADRM C[C@H](OC(=O)c1ccc(C(=O)[O-])c(F)c1)c1nc(C2CC2)cs1 ZINC000833533423 605795561 /nfs/dbraw/zinc/79/55/61/605795561.db2.gz ZQIRZOXSCHMFES-QMMMGPOBSA-N -1 0 335.356 3.776 20 0 EHADRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])c(F)c1)c1nc(C2CC2)cs1 ZINC000833533422 605795635 /nfs/dbraw/zinc/79/56/35/605795635.db2.gz ZQIRZOXSCHMFES-MRVPVSSYSA-N -1 0 335.356 3.776 20 0 EHADRM CCc1ccc([C@H](C)C(=O)Oc2ccc(CC(=O)[O-])cc2F)cc1 ZINC000833671096 605797466 /nfs/dbraw/zinc/79/74/66/605797466.db2.gz SDVUUJXOMAQGDB-LBPRGKRZSA-N -1 0 330.355 3.724 20 0 EHADRM C[C@@H](CCC(=O)N1CCC2(C1)CCN(C(=O)[O-])CC2)c1ccccc1 ZINC000833803190 605870580 /nfs/dbraw/zinc/87/05/80/605870580.db2.gz ILTWJZYOWOCKFZ-INIZCTEOSA-N -1 0 344.455 3.563 20 0 EHADRM CCCN(C(=O)C/C=C/c1cccc(F)c1)C1CCN(C(=O)[O-])CC1 ZINC000826858821 605882427 /nfs/dbraw/zinc/88/24/27/605882427.db2.gz QFHRVBYORHRZPI-GQCTYLIASA-N -1 0 348.418 3.610 20 0 EHADRM C[C@@H](CCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccccc1 ZINC000833802166 605918079 /nfs/dbraw/zinc/91/80/79/605918079.db2.gz BFQSCBMHMUKGEO-QTXGHNMQSA-N -1 0 344.455 3.702 20 0 EHADRM COc1ccc(NC(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)cc1NC(=O)[O-] ZINC000833888473 605968913 /nfs/dbraw/zinc/96/89/13/605968913.db2.gz BWYHOHNKCDTMAG-LNSITVRQSA-N -1 0 347.415 3.828 20 0 EHADRM O=C([O-])N1CCc2cccc(CNc3cccc(-c4ncco4)c3)c21 ZINC000834120942 605996473 /nfs/dbraw/zinc/99/64/73/605996473.db2.gz NYSKULWTHLKRDF-UHFFFAOYSA-N -1 0 335.363 3.994 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCCOC1CCCCCC1 ZINC000833906632 606011215 /nfs/dbraw/zinc/01/12/15/606011215.db2.gz JITLUANBVFTTCI-UHFFFAOYSA-N -1 0 349.431 3.946 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N1CCc2ccc(Cl)cc21 ZINC000834274175 606056041 /nfs/dbraw/zinc/05/60/41/606056041.db2.gz ZXHGCQZSDRVGIM-UHFFFAOYSA-N -1 0 330.771 3.562 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N1CCC2(CCCCC2)CC1 ZINC000834272156 606058174 /nfs/dbraw/zinc/05/81/74/606058174.db2.gz YQPDQCNUQVDRDN-UHFFFAOYSA-N -1 0 330.428 3.892 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2cc(Cl)ccc2Cl)CCCCC1 ZINC000036750214 939031254 /nfs/dbraw/zinc/03/12/54/939031254.db2.gz KPIJKONBBGMIGX-UHFFFAOYSA-N -1 0 331.199 3.902 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c(C)c1 ZINC000181904434 939034380 /nfs/dbraw/zinc/03/43/80/939034380.db2.gz OXVDAOLBPCEMDD-OAHLLOKOSA-N -1 0 335.762 3.652 20 0 EHADRM Cc1nc(-c2ccccc2)ccc1C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000190746175 939035767 /nfs/dbraw/zinc/03/57/67/939035767.db2.gz DNRLWSSDAKSTRQ-LJQANCHMSA-N -1 0 346.386 3.613 20 0 EHADRM C[C@H](C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1)c1cccs1 ZINC000191491867 939038697 /nfs/dbraw/zinc/03/86/97/939038697.db2.gz HKUPEVOVZOMJAC-SJCJKPOMSA-N -1 0 339.416 3.947 20 0 EHADRM CC[C@H](CC(=O)N[C@@H](C(=O)[O-])c1ccccc1)c1ccc(OC)cc1 ZINC000192861644 939039280 /nfs/dbraw/zinc/03/92/80/939039280.db2.gz ZAJKBDYNJXTHPT-AUUYWEPGSA-N -1 0 341.407 3.521 20 0 EHADRM CC1CCC(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)(C(=O)[O-])CC1 ZINC000236807444 939045196 /nfs/dbraw/zinc/04/51/96/939045196.db2.gz YFZPGXADDWUTTB-DHMWKWIISA-N -1 0 335.831 3.593 20 0 EHADRM CC1CCC(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)(C(=O)[O-])CC1 ZINC000236802911 939045233 /nfs/dbraw/zinc/04/52/33/939045233.db2.gz SQVPUQVHKIKQMD-UHFFFAOYSA-N -1 0 348.830 3.514 20 0 EHADRM CC[C@](NC(=O)[C@H]1C[C@H]1c1sccc1C)(C(=O)[O-])c1ccccc1 ZINC000262072624 939059495 /nfs/dbraw/zinc/05/94/95/939059495.db2.gz DDWYFNVUMDRTAT-ZRGWGRIASA-N -1 0 343.448 3.666 20 0 EHADRM CC[C@@](NC(=O)c1oc(C)cc1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000262667993 939064613 /nfs/dbraw/zinc/06/46/13/939064613.db2.gz PSVPKLQJIUCQCC-KRWDZBQOSA-N -1 0 335.787 3.670 20 0 EHADRM C[C@@](NC(=O)c1[nH]c2ccccc2c1Cl)(C(=O)[O-])c1ccccc1 ZINC000766963516 939084129 /nfs/dbraw/zinc/08/41/29/939084129.db2.gz VLJQLMMTSOJXEQ-SFHVURJKSA-N -1 0 342.782 3.551 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000776619146 939089279 /nfs/dbraw/zinc/08/92/79/939089279.db2.gz QYOSBKROFNNGHB-HXUWFJFHSA-N -1 0 341.407 3.594 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1C ZINC000263118801 939101470 /nfs/dbraw/zinc/10/14/70/939101470.db2.gz SBQDJHVXMFNAPP-BZUAXINKSA-N -1 0 343.448 3.719 20 0 EHADRM Cc1ccc([C@H](NC(=O)[C@@H](C)c2c(F)cccc2F)C(=O)[O-])cc1C ZINC000263521190 939114021 /nfs/dbraw/zinc/11/40/21/939114021.db2.gz HIQSAUSVVYXVHB-SJCJKPOMSA-N -1 0 347.361 3.627 20 0 EHADRM Cc1cc([C@H](C)NC(=O)NC2(C(=O)[O-])CCCCCC2)c(C)s1 ZINC000320562865 939123562 /nfs/dbraw/zinc/12/35/62/939123562.db2.gz RXJSMCASPZODSN-LBPRGKRZSA-N -1 0 338.473 3.903 20 0 EHADRM CCC1CCC(NC(=O)c2cc(Cl)ccc2F)(C(=O)[O-])CC1 ZINC000336850072 939127518 /nfs/dbraw/zinc/12/75/18/939127518.db2.gz MXSNSNFHLSZKMJ-UHFFFAOYSA-N -1 0 327.783 3.633 20 0 EHADRM O=C([O-])[C@H](NC(=O)CCc1ccc(-c2ccccc2)[nH]1)c1ccccc1 ZINC000342380973 939128445 /nfs/dbraw/zinc/12/84/45/939128445.db2.gz JLDZSXSXVVWVAH-HXUWFJFHSA-N -1 0 348.402 3.556 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1ccccc1C(F)(F)F)C1CCCCC1 ZINC000392053814 939136753 /nfs/dbraw/zinc/13/67/53/939136753.db2.gz WPYNBQBLOKMRQS-CYBMUJFWSA-N -1 0 344.333 3.860 20 0 EHADRM Cc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(F)c(C)c2)c(C)c1 ZINC000788321754 939150774 /nfs/dbraw/zinc/15/07/74/939150774.db2.gz MJFUJGXULHNHQR-INIZCTEOSA-N -1 0 330.359 3.698 20 0 EHADRM CC[C@@](NC(=O)Nc1nc(C2CC2)cs1)(C(=O)[O-])c1ccccc1 ZINC000788322348 939151076 /nfs/dbraw/zinc/15/10/76/939151076.db2.gz OAPZNQOSQQGTBF-KRWDZBQOSA-N -1 0 345.424 3.532 20 0 EHADRM C[C@@H]1CCC[C@@H](C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)C1 ZINC000431859478 939163546 /nfs/dbraw/zinc/16/35/46/939163546.db2.gz RGYYSEIMNSKWED-XWIAVFTESA-N -1 0 325.408 3.908 20 0 EHADRM CCc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)cc1 ZINC000431890349 939170360 /nfs/dbraw/zinc/17/03/60/939170360.db2.gz RFMPSSVULCBEAJ-IBGZPJMESA-N -1 0 333.387 3.958 20 0 EHADRM CCSCc1ccc(C(=O)NC2(C(=O)[O-])CCCCCC2)cc1 ZINC000431990748 939170812 /nfs/dbraw/zinc/17/08/12/939170812.db2.gz IJMVAMBYLRMKDV-UHFFFAOYSA-N -1 0 335.469 3.847 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000797742577 939204730 /nfs/dbraw/zinc/20/47/30/939204730.db2.gz KIPVBFLNZLBYKE-BFUOFWGJSA-N -1 0 342.395 3.516 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1ccc(-c2cccc(F)c2)c(F)c1)C1CC1 ZINC000797746874 939208880 /nfs/dbraw/zinc/20/88/80/939208880.db2.gz NFSAGDYPQJRXCX-INIZCTEOSA-N -1 0 346.333 3.617 20 0 EHADRM CC[C@@](NC(=O)c1ccc(F)cc1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507280769 939231543 /nfs/dbraw/zinc/23/15/43/939231543.db2.gz FVKCJTVBNGZHBF-SFHVURJKSA-N -1 0 349.789 3.907 20 0 EHADRM CC[C@](NC(=O)N[C@@H](C)c1ccc(C)cc1)(C(=O)[O-])c1ccccc1 ZINC000517212618 939247595 /nfs/dbraw/zinc/24/75/95/939247595.db2.gz RHEOBMAECGQKLO-MGPUTAFESA-N -1 0 340.423 3.745 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1ccc(F)c(C2CC2)c1)c1cccs1 ZINC000519687538 939253187 /nfs/dbraw/zinc/25/31/87/939253187.db2.gz YBEVUKVQCBHTOD-AWEZNQCLSA-N -1 0 334.372 3.712 20 0 EHADRM CC1(C)CCC[C@@](NC(=O)/C=C/SCc2ccco2)(C(=O)[O-])C1 ZINC000864168335 939254173 /nfs/dbraw/zinc/25/41/73/939254173.db2.gz IUOCYTLARCRIKS-BHMZLHOFSA-N -1 0 337.441 3.566 20 0 EHADRM CC1(C)CCC[C@](NC(=O)/C=C/SCc2ccco2)(C(=O)[O-])C1 ZINC000864168336 939254373 /nfs/dbraw/zinc/25/43/73/939254373.db2.gz IUOCYTLARCRIKS-DKISHCGFSA-N -1 0 337.441 3.566 20 0 EHADRM CC(C)C[C@H](C)CC(=O)N[C@@H](C(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000537404323 939270458 /nfs/dbraw/zinc/27/04/58/939270458.db2.gz XZBFNAUCMLCTHY-XHDPSFHLSA-N -1 0 343.370 3.602 20 0 EHADRM COc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)c1C ZINC000900330064 939275057 /nfs/dbraw/zinc/27/50/57/939275057.db2.gz GJPXFDQRWPTHNK-QGZVFWFLSA-N -1 0 342.395 3.568 20 0 EHADRM COc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2C)c1C ZINC000900329995 939275192 /nfs/dbraw/zinc/27/51/92/939275192.db2.gz DESXJCBJSNDVDB-QGZVFWFLSA-N -1 0 342.395 3.568 20 0 EHADRM Cc1ccc(-c2cccnc2)cc1NC(=O)NC1(C(=O)[O-])CCCC1 ZINC000900346071 939278161 /nfs/dbraw/zinc/27/81/61/939278161.db2.gz BJPAXUBHTHQVNX-UHFFFAOYSA-N -1 0 339.395 3.576 20 0 EHADRM Cc1ccc(-c2ccc(C)c(NC(=O)N[C@@H](C(=O)[O-])C3CC3)c2)o1 ZINC000900347159 939278829 /nfs/dbraw/zinc/27/88/29/939278829.db2.gz TVTHBONDNUKDRL-MRXNPFEDSA-N -1 0 328.368 3.548 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)[C@H](C(=O)[O-])C3CCCC3)cc2)[nH]c1C ZINC000902698162 939287283 /nfs/dbraw/zinc/28/72/83/939287283.db2.gz IONJZTYMAFHXQN-MRXNPFEDSA-N -1 0 341.411 3.523 20 0 EHADRM CC(C)(C)c1ccc(CCC(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000556553030 939307726 /nfs/dbraw/zinc/30/77/26/939307726.db2.gz FOPQRBUFTWDQBI-IBGZPJMESA-N -1 0 339.435 3.859 20 0 EHADRM CSc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)cc1 ZINC000562463875 939334474 /nfs/dbraw/zinc/33/44/74/939334474.db2.gz HLKZKZCWSRZNEZ-OAHLLOKOSA-N -1 0 348.399 3.803 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)N[C@@H](C(=O)[O-])c1ccsc1 ZINC000563448582 939339246 /nfs/dbraw/zinc/33/92/46/939339246.db2.gz CCSRGHLKHNAYQR-QMTHXVAHSA-N -1 0 337.828 3.522 20 0 EHADRM O=C([O-])[C@H](NC(=O)CCCc1ccc(Cl)cc1)c1ccsc1 ZINC000566506965 939354652 /nfs/dbraw/zinc/35/46/52/939354652.db2.gz LMLCTEDTGIFJAL-OAHLLOKOSA-N -1 0 337.828 3.666 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC000573699775 939720362 /nfs/dbraw/zinc/72/03/62/939720362.db2.gz OULKUTMPUINYAT-BBWFWOEESA-N -1 0 343.448 3.917 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)N[C@](C)(C(=O)[O-])C3CC3)ccc2o1 ZINC000577906804 939750070 /nfs/dbraw/zinc/75/00/70/939750070.db2.gz KLNNCONAMJMTII-SFHVURJKSA-N -1 0 345.399 3.500 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CC1CCSCC1)c1cccc2ccccc21 ZINC000910936527 939760281 /nfs/dbraw/zinc/76/02/81/939760281.db2.gz OJXACBWINOIBEG-SFHVURJKSA-N -1 0 343.448 3.615 20 0 EHADRM C[C@H](NC(=O)N[C@@](C)(C(=O)[O-])C1CC1)c1cc2ccccc2s1 ZINC000583043646 939788354 /nfs/dbraw/zinc/78/83/54/939788354.db2.gz ZJKUUKAKLFYWNA-DYZYQPBXSA-N -1 0 332.425 3.515 20 0 EHADRM Cc1ccc([C@@H](NC(=O)Nc2ccc(F)c(C)c2)C(=O)[O-])cc1C ZINC000583181895 939789418 /nfs/dbraw/zinc/78/94/18/939789418.db2.gz NCPAEZGRKHLETB-MRXNPFEDSA-N -1 0 330.359 3.698 20 0 EHADRM Cc1cccc([C@@H](NC(=O)N[C@H](C)c2ccsc2)C(=O)[O-])c1C ZINC000929033377 939795307 /nfs/dbraw/zinc/79/53/07/939795307.db2.gz IACRRLQGEJSOOW-IUODEOHRSA-N -1 0 332.425 3.551 20 0 EHADRM CCc1ccc(NC(=O)N[C@](CC)(C(=O)[O-])c2ccccc2)cc1 ZINC000584284734 939796568 /nfs/dbraw/zinc/79/65/68/939796568.db2.gz IKUDQRTXWSBFGJ-IBGZPJMESA-N -1 0 326.396 3.761 20 0 EHADRM CC1(C)CCC[C@](NC(=O)c2cccc(C(F)F)c2)(C(=O)[O-])C1 ZINC000630246808 939819523 /nfs/dbraw/zinc/81/95/23/939819523.db2.gz AZPAGDPUFACTKQ-QGZVFWFLSA-N -1 0 325.355 3.778 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)[C@H](C(=O)[O-])C3CCCC3)cc2)oc1C ZINC000663068082 939852241 /nfs/dbraw/zinc/85/22/41/939852241.db2.gz XVVREOSYFXEKIC-MRXNPFEDSA-N -1 0 342.395 3.788 20 0 EHADRM CC(C)Oc1cccc([C@@H](C)NC(=O)[C@H](C(=O)[O-])C2CCCC2)c1 ZINC000663087380 939853704 /nfs/dbraw/zinc/85/37/04/939853704.db2.gz YQEGETNVMCNGDB-CXAGYDPISA-N -1 0 333.428 3.542 20 0 EHADRM O=C([O-])[C@@]1(NC(=O)C[C@@H]2CCCc3ccccc32)CCc2ccccc21 ZINC000675990750 939867497 /nfs/dbraw/zinc/86/74/97/939867497.db2.gz KJCHNNQYGDQDRV-HTAPYJJXSA-N -1 0 349.430 3.539 20 0 EHADRM C[C@@](NC(=O)Cc1csc2ccccc12)(C(=O)[O-])c1ccccc1 ZINC000678977997 939868279 /nfs/dbraw/zinc/86/82/79/939868279.db2.gz SGAXSBLYWLKCTI-IBGZPJMESA-N -1 0 339.416 3.560 20 0 EHADRM CC[C@@H](NC(=O)N[C@H](C(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC000679541196 939869817 /nfs/dbraw/zinc/86/98/17/939869817.db2.gz JPTJUAGSUZBXCP-CVEARBPZSA-N -1 0 346.814 3.916 20 0 EHADRM CN(C)C(=O)Sc1ccc(COc2ccccc2CC(=O)[O-])cc1 ZINC001610892592 970777123 /nfs/dbraw/zinc/77/71/23/970777123.db2.gz VIHIGMPQVJMNAK-UHFFFAOYSA-N -1 0 345.420 3.666 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)s1 ZINC000321750026 970802945 /nfs/dbraw/zinc/80/29/45/970802945.db2.gz XGLQOOXPWHIILZ-OLZOCXBDSA-N -1 0 338.473 3.650 20 0 EHADRM Cc1ccc(Oc2ccc(C(=O)Nc3cccnc3C(=O)[O-])cc2)nc1 ZINC001600472762 970813028 /nfs/dbraw/zinc/81/30/28/970813028.db2.gz YQJVFNMTAYARCL-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM Cn1c(S[C@H](C(=O)[O-])C2CC2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC001600920028 970881146 /nfs/dbraw/zinc/88/11/46/970881146.db2.gz FWBXQLQKJXMXEN-AWEZNQCLSA-N -1 0 345.468 3.735 20 0 EHADRM Cc1cc(C(=O)[C@H](C)S[C@@H](C)C(=O)[O-])c(C)n1Cc1ccco1 ZINC001611128475 970903059 /nfs/dbraw/zinc/90/30/59/970903059.db2.gz LIIZQMFDMWHRAY-STQMWFEESA-N -1 0 335.425 3.524 20 0 EHADRM Cc1ccccc1OCCC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000322622610 970911708 /nfs/dbraw/zinc/91/17/08/970911708.db2.gz SFOUVAKUQBIJLU-UHFFFAOYSA-N -1 0 333.771 3.754 20 0 EHADRM CCCN(CC(F)(F)F)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000322700266 970919897 /nfs/dbraw/zinc/91/98/97/970919897.db2.gz LMLLRUQIDMJCOQ-UHFFFAOYSA-N -1 0 332.322 3.510 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)Nc1cccnc1C(=O)[O-] ZINC000322731357 970924319 /nfs/dbraw/zinc/92/43/19/970924319.db2.gz XXPRMEPJMUEBJF-UHFFFAOYSA-N -1 0 330.727 3.740 20 0 EHADRM Cc1c(C(=O)N[C@H](C(=O)[O-])c2cccs2)sc2cccc(F)c12 ZINC000322911690 970944189 /nfs/dbraw/zinc/94/41/89/970944189.db2.gz JOIOWIJPWYDZLC-ZDUSSCGKSA-N -1 0 349.408 3.966 20 0 EHADRM O=C([O-])c1c(NC(=O)[C@H]2C[C@@H]2c2ccccc2)sc2c1CCC2 ZINC000322954171 970950434 /nfs/dbraw/zinc/95/04/34/970950434.db2.gz UDZFTUKMDMLMLF-OLZOCXBDSA-N -1 0 327.405 3.677 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)N1CC=C(C(F)(F)F)CC1 ZINC000323232358 970980156 /nfs/dbraw/zinc/98/01/56/970980156.db2.gz AXHSVDMMTZDCEG-UHFFFAOYSA-N -1 0 348.708 3.765 20 0 EHADRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1C[C@@H]1c1ccccc1 ZINC000323270808 970985034 /nfs/dbraw/zinc/98/50/34/970985034.db2.gz FYXBCILLROBAHH-BXUZGUMPSA-N -1 0 332.743 3.914 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](c2nc(Cc3ccc(F)cc3Cl)no2)C1 ZINC000323396466 970999381 /nfs/dbraw/zinc/99/93/81/970999381.db2.gz MCNHWZAUCRBLCG-WDEREUQCSA-N -1 0 338.766 3.811 20 0 EHADRM C[C@@H]1CCC[C@H](NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC000323563866 971016355 /nfs/dbraw/zinc/01/63/55/971016355.db2.gz IXCQHSFRSBLRLD-ZJUUUORDSA-N -1 0 326.343 3.753 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)c1cc(F)ccc1Cl)c1ccccc1 ZINC000323729389 971032056 /nfs/dbraw/zinc/03/20/56/971032056.db2.gz OEMPPPSPWKRDNN-HNNXBMFYSA-N -1 0 335.762 3.815 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1ccccc1OC(F)(F)F ZINC001601635372 971036139 /nfs/dbraw/zinc/03/61/39/971036139.db2.gz RHHATTNZLDCQMZ-UHFFFAOYSA-N -1 0 331.271 3.597 20 0 EHADRM CCc1ccc(NC(=O)N2CCC[C@H](CSC)C2)c(C(=O)[O-])c1 ZINC000323766713 971036363 /nfs/dbraw/zinc/03/63/63/971036363.db2.gz WNGCKDIDCWNGAB-ZDUSSCGKSA-N -1 0 336.457 3.554 20 0 EHADRM COc1ccc(COc2cc(/C=C\C(=O)[O-])ccc2OC)cc1F ZINC000323817775 971041172 /nfs/dbraw/zinc/04/11/72/971041172.db2.gz CVNHNMFTLYNZAR-YVMONPNESA-N -1 0 332.327 3.520 20 0 EHADRM CCCCOc1ccc(C(=O)NC2(C(=O)[O-])CCCCCC2)cc1 ZINC000323825782 971042760 /nfs/dbraw/zinc/04/27/60/971042760.db2.gz GFDOXDURPIWJEQ-UHFFFAOYSA-N -1 0 333.428 3.773 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000323845398 971045951 /nfs/dbraw/zinc/04/59/51/971045951.db2.gz AXNIVCVFBMIUTQ-UHFFFAOYSA-N -1 0 337.297 3.514 20 0 EHADRM Cc1cc(C)cc(OCC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)c1 ZINC000323875488 971051326 /nfs/dbraw/zinc/05/13/26/971051326.db2.gz JUZNZLYDFNKSHN-UHFFFAOYSA-N -1 0 345.420 3.569 20 0 EHADRM Cc1cccc(OCCCC(=O)Nc2ccc(C)cc2C(=O)[O-])c1 ZINC000324071249 971081627 /nfs/dbraw/zinc/08/16/27/971081627.db2.gz YCYNWSTXDFXXNZ-UHFFFAOYSA-N -1 0 327.380 3.799 20 0 EHADRM CCc1ccc(CN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C2CC2)cc1 ZINC000324238472 971099994 /nfs/dbraw/zinc/09/99/94/971099994.db2.gz XHAQKONHHCAJLI-ZWKOTPCHSA-N -1 0 329.440 3.631 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)Cc1c(F)c(F)c(F)c(F)c1F ZINC000324240018 971099496 /nfs/dbraw/zinc/09/94/96/971099496.db2.gz XRUYQRDWBBWBGT-UHFFFAOYSA-N -1 0 345.267 3.712 20 0 EHADRM CC(C)Oc1cccc([C@H](C)NC(=O)c2ccccc2C(=O)[O-])c1 ZINC000324386511 971116176 /nfs/dbraw/zinc/11/61/76/971116176.db2.gz OVBQUJQQTZULRP-ZDUSSCGKSA-N -1 0 327.380 3.663 20 0 EHADRM CC(C)(C)c1csc(NC(=O)NCCc2ccc(C(=O)[O-])cc2)n1 ZINC000324415121 971117040 /nfs/dbraw/zinc/11/70/40/971117040.db2.gz RYKZMAATAUSDPF-UHFFFAOYSA-N -1 0 347.440 3.503 20 0 EHADRM CCC[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F)C1CCC1 ZINC000324579951 971135159 /nfs/dbraw/zinc/13/51/59/971135159.db2.gz NMYVGMHBVBDCGO-LLVKDONJSA-N -1 0 326.343 3.753 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CC[C@@H]3CCCC[C@@H]3C2)c(F)cc1F ZINC000324655092 971144450 /nfs/dbraw/zinc/14/44/50/971144450.db2.gz CVMQCPZRQZPDTJ-WDEREUQCSA-N -1 0 338.354 3.707 20 0 EHADRM COc1ccc(C(=O)[O-])c(OCc2coc(-c3ccccc3)n2)c1 ZINC000324728125 971151775 /nfs/dbraw/zinc/15/17/75/971151775.db2.gz WHLVZTCHYKSFTL-UHFFFAOYSA-N -1 0 325.320 3.627 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCc1coc(-c2ccccc2)n1 ZINC000324857471 971164499 /nfs/dbraw/zinc/16/44/99/971164499.db2.gz IEJUMMJCEIFHTJ-UHFFFAOYSA-N -1 0 325.320 3.627 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC001602471146 971204680 /nfs/dbraw/zinc/20/46/80/971204680.db2.gz FYAAUSOJANORMX-MNOVXSKESA-N -1 0 335.281 3.544 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)c2ccccc2CCC(F)(F)F)c1 ZINC001602482711 971208739 /nfs/dbraw/zinc/20/87/39/971208739.db2.gz FXYNIPOPDCEVLG-UHFFFAOYSA-N -1 0 338.285 3.527 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)Cc2c(F)cccc2Cl)c2ccccc21 ZINC000325413346 971213669 /nfs/dbraw/zinc/21/36/69/971213669.db2.gz URBGIPRPASBQHA-LBPRGKRZSA-N -1 0 347.773 3.627 20 0 EHADRM O=C([O-])c1ccc([N+](=O)[O-])c(NCc2cccc(C(F)(F)F)c2)c1 ZINC000325499246 971221289 /nfs/dbraw/zinc/22/12/89/971221289.db2.gz ZWBWTGCYPIPVLL-UHFFFAOYSA-N -1 0 340.257 3.924 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)CCOc2ccccc2Cl)c1 ZINC000325881482 971251531 /nfs/dbraw/zinc/25/15/31/971251531.db2.gz OEDFMGHKLAYMIU-UHFFFAOYSA-N -1 0 347.798 3.765 20 0 EHADRM O=C([O-])c1nn(-c2ccccc2)cc1OCc1cc(F)ccc1Cl ZINC000325894616 971252618 /nfs/dbraw/zinc/25/26/18/971252618.db2.gz MVGMUQNVQIDJGL-UHFFFAOYSA-N -1 0 346.745 3.942 20 0 EHADRM CCCOc1cccc(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])c1 ZINC000326246752 971276775 /nfs/dbraw/zinc/27/67/75/971276775.db2.gz NHNMODRGCLCYBE-QGZVFWFLSA-N -1 0 333.428 3.629 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cnc(Cl)c3ccccc23)cc1F ZINC000326482853 971297201 /nfs/dbraw/zinc/29/72/01/971297201.db2.gz WCPRVBTWEBDTIG-UHFFFAOYSA-N -1 0 344.729 3.978 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000326586198 971305943 /nfs/dbraw/zinc/30/59/43/971305943.db2.gz FIMQWCDQUADHOP-MRXNPFEDSA-N -1 0 339.391 3.948 20 0 EHADRM Cc1ccc(OCCC(=O)NCC2(CC(=O)[O-])CCCCC2)cc1C ZINC000326587358 971306175 /nfs/dbraw/zinc/30/61/75/971306175.db2.gz CGUYVMZGEGTFRV-UHFFFAOYSA-N -1 0 347.455 3.614 20 0 EHADRM Cc1c(C(=O)[O-])cc(CNc2ccc3oc(C4CC4)nc3c2)n1C ZINC000326628854 971310795 /nfs/dbraw/zinc/31/07/95/971310795.db2.gz RQSUVBYBKOKDSD-UHFFFAOYSA-N -1 0 325.368 3.662 20 0 EHADRM CCc1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c(C(=O)[O-])c1 ZINC000326736726 971322607 /nfs/dbraw/zinc/32/26/07/971322607.db2.gz HGVXAWDLBXLMKQ-UHFFFAOYSA-N -1 0 348.742 3.761 20 0 EHADRM COc1ccc(C(=O)[O-])c(OCc2coc(-c3ccc(F)cc3)n2)c1 ZINC000326799707 971329340 /nfs/dbraw/zinc/32/93/40/971329340.db2.gz SAXXZFPYVKIAIK-UHFFFAOYSA-N -1 0 343.310 3.767 20 0 EHADRM COc1cc(NC(=O)N(C)Cc2cccc(Cl)c2)ccc1C(=O)[O-] ZINC000326808191 971330487 /nfs/dbraw/zinc/33/04/87/971330487.db2.gz FESDVFPHQUKJME-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OCc1cccc2cccnc21 ZINC000327288016 971384116 /nfs/dbraw/zinc/38/41/16/971384116.db2.gz LRBCMVDYKGKOCC-CSKARUKUSA-N -1 0 335.359 3.920 20 0 EHADRM CCCOc1ccc(NC(=O)Nc2cccc(OCC(=O)[O-])c2)cc1 ZINC000327326956 971387557 /nfs/dbraw/zinc/38/75/57/971387557.db2.gz BMAWRLJIXAVGEZ-UHFFFAOYSA-N -1 0 344.367 3.583 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000327417918 971397897 /nfs/dbraw/zinc/39/78/97/971397897.db2.gz ICNOSJYNAWKJIG-WBMJQRKESA-N -1 0 336.391 3.585 20 0 EHADRM COc1ccc([C@H](C)NC(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC000327563228 971408874 /nfs/dbraw/zinc/40/88/74/971408874.db2.gz ZFEMFSDWWPDQBN-ZDUSSCGKSA-N -1 0 342.395 3.595 20 0 EHADRM COc1cc(NC(=O)N[C@H](C)CCc2ccccc2)ccc1C(=O)[O-] ZINC000327803006 971426684 /nfs/dbraw/zinc/42/66/84/971426684.db2.gz IWGAOOKCYVVNLN-CYBMUJFWSA-N -1 0 342.395 3.536 20 0 EHADRM Cc1c2ccccc2oc1C(=O)N1C[C@H](C(=O)[O-])Cc2ccccc21 ZINC000327789020 971425551 /nfs/dbraw/zinc/42/55/51/971425551.db2.gz FWXMVVAXPPWFJY-CQSZACIVSA-N -1 0 335.359 3.645 20 0 EHADRM CCC1CCC(CNC(=O)N2CCc3c(cccc3C(=O)[O-])C2)CC1 ZINC000327933993 971435519 /nfs/dbraw/zinc/43/55/19/971435519.db2.gz GRJGTAIAJIZEFM-UHFFFAOYSA-N -1 0 344.455 3.669 20 0 EHADRM Cc1cc(NC(=O)N2CCC(Cc3ccccc3)CC2)c(C(=O)[O-])[nH]1 ZINC000328377861 971467299 /nfs/dbraw/zinc/46/72/99/971467299.db2.gz LMHGJHKTTQKTBJ-UHFFFAOYSA-N -1 0 341.411 3.508 20 0 EHADRM CC[C@@H](CNc1nc2c(cccc2Br)s1)C(=O)[O-] ZINC001589555009 948779768 /nfs/dbraw/zinc/77/97/68/948779768.db2.gz BIDCREBARWKFKV-ZETCQYMHSA-N -1 0 329.219 3.582 20 0 EHADRM CC[C@H](CSc1ccccc1)NC(=O)c1cccc(C(=O)[O-])c1 ZINC001589557918 948798956 /nfs/dbraw/zinc/79/89/56/948798956.db2.gz LUZPQPOZSAIGPV-OAHLLOKOSA-N -1 0 329.421 3.686 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000336867301 971515158 /nfs/dbraw/zinc/51/51/58/971515158.db2.gz QRHQTQWNCIMQCH-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM CC[C@@H](NC(=O)Nc1cccc(CCC(=O)[O-])c1)c1c(C)noc1C ZINC001589566210 948872047 /nfs/dbraw/zinc/87/20/47/948872047.db2.gz QZJXNNDYPNMJNC-OAHLLOKOSA-N -1 0 345.399 3.581 20 0 EHADRM CSCc1cc(C(=O)Nc2cccc(CCC(=O)[O-])c2)ccc1F ZINC000344040971 971519325 /nfs/dbraw/zinc/51/93/25/971519325.db2.gz FNIABATWIXNUNJ-UHFFFAOYSA-N -1 0 347.411 3.958 20 0 EHADRM Cc1oc2ccccc2c1CCNC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000342609826 971518812 /nfs/dbraw/zinc/51/88/12/971518812.db2.gz WADUNZHCYNCBMW-UHFFFAOYSA-N -1 0 343.423 3.825 20 0 EHADRM CCCC[C@@H](NC(=O)[C@@H](C)Sc1ccccc1Cl)C(=O)[O-] ZINC000347256897 971521527 /nfs/dbraw/zinc/52/15/27/971521527.db2.gz HDJIJVTYEODKSE-ZYHUDNBSSA-N -1 0 329.849 3.580 20 0 EHADRM CCCC[C@@H](NC(=O)[C@H](c1cccc(Cl)c1)C(C)C)C(=O)[O-] ZINC000347256848 971521811 /nfs/dbraw/zinc/52/18/11/971521811.db2.gz GWIOQHHASSXRGR-CABCVRRESA-N -1 0 325.836 3.839 20 0 EHADRM CCCC[C@H](NC(=O)[C@@H](c1cccc(Cl)c1)C(C)C)C(=O)[O-] ZINC000347256852 971522175 /nfs/dbraw/zinc/52/21/75/971522175.db2.gz GWIOQHHASSXRGR-LSDHHAIUSA-N -1 0 325.836 3.839 20 0 EHADRM CCCC[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000347274798 971522772 /nfs/dbraw/zinc/52/27/72/971522772.db2.gz ZZETUBIKOXTKGM-SQNIBIBYSA-N -1 0 325.408 3.703 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCCc2ccc(Cl)cc2)ccc1O ZINC000075288982 948996443 /nfs/dbraw/zinc/99/64/43/948996443.db2.gz XQACUHXAEUJIHB-UHFFFAOYSA-N -1 0 333.771 3.705 20 0 EHADRM CCC[C@@H](NC(=O)CCCOc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000347376003 971524883 /nfs/dbraw/zinc/52/48/83/971524883.db2.gz BHDDWVYPJBGSMZ-MRXNPFEDSA-N -1 0 335.444 3.513 20 0 EHADRM CCCC[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3)C(=O)[O-] ZINC000347368494 971525100 /nfs/dbraw/zinc/52/51/00/971525100.db2.gz QWGFFSWHJSGGSX-KZULUSFZSA-N -1 0 342.439 3.666 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1ccc(-c2cnco2)cc1 ZINC000349467487 971527376 /nfs/dbraw/zinc/52/73/76/971527376.db2.gz OVRWLLFRCSEGFD-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)CCCc1ccccc1 ZINC000348132973 971527734 /nfs/dbraw/zinc/52/77/34/971527734.db2.gz OTJRLXFZPUAZCZ-INIZCTEOSA-N -1 0 325.408 3.511 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1cc(C(=O)[O-])co1)c1ccc(F)cc1F ZINC000352379948 971528899 /nfs/dbraw/zinc/52/88/99/971528899.db2.gz ZGJBMGOBCAPGPK-CQSZACIVSA-N -1 0 337.322 3.773 20 0 EHADRM O=C([O-])CC1(CC(=O)NCc2ccc(C(F)F)cc2)CCCC1 ZINC000360685002 971533394 /nfs/dbraw/zinc/53/33/94/971533394.db2.gz VWEHLHSOMBUAJS-UHFFFAOYSA-N -1 0 325.355 3.666 20 0 EHADRM Cc1oc(CNC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1C(=O)[O-] ZINC000362585287 971535968 /nfs/dbraw/zinc/53/59/68/971535968.db2.gz CSTNTIOFUAHJGO-UHFFFAOYSA-N -1 0 343.310 3.615 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C(F)(F)c2ccc(Cl)cc2)C1 ZINC001589591303 949087967 /nfs/dbraw/zinc/08/79/67/949087967.db2.gz OMDNLUKLLSFXIE-HNNXBMFYSA-N -1 0 345.773 3.535 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)CC[C@H]2CCc3ccccc32)C1 ZINC001589592046 949098619 /nfs/dbraw/zinc/09/86/19/949098619.db2.gz MWSMDFBQXBGJOU-UZLBHIALSA-N -1 0 329.440 3.600 20 0 EHADRM O=C([O-])CCCCCNC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000115618060 949232414 /nfs/dbraw/zinc/23/24/14/949232414.db2.gz JPXVTDKHPLHMFI-UHFFFAOYSA-N -1 0 325.408 3.657 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1 ZINC001595221630 949258054 /nfs/dbraw/zinc/25/80/54/949258054.db2.gz YAXQEJVRSDYJLF-UHFFFAOYSA-N -1 0 347.374 3.700 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 ZINC001595221614 949259513 /nfs/dbraw/zinc/25/95/13/949259513.db2.gz XAQDXZDINVUXSM-UHFFFAOYSA-N -1 0 332.359 3.623 20 0 EHADRM O=C([O-])c1ccc(C(=O)Oc2cccc(OCc3ccccc3)c2)nc1 ZINC001595225016 949279946 /nfs/dbraw/zinc/27/99/46/949279946.db2.gz FFBKMBBDNLPULJ-UHFFFAOYSA-N -1 0 349.342 3.578 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2cc3c(ccnc3Cl)s2)cc1 ZINC001595227833 949333368 /nfs/dbraw/zinc/33/33/68/949333368.db2.gz FZPPUMHIDVJCPQ-UHFFFAOYSA-N -1 0 346.795 3.578 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2ccc(SC3CC3)cc2)cc1 ZINC001595230525 949341555 /nfs/dbraw/zinc/34/15/55/949341555.db2.gz GHLDXOUGBZCSFF-UHFFFAOYSA-N -1 0 327.405 3.569 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)nc1 ZINC001595236148 949404900 /nfs/dbraw/zinc/40/49/00/949404900.db2.gz TUKMASINPALNMI-UHFFFAOYSA-N -1 0 349.346 3.565 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2c(F)ccc(F)c2Cl)c(F)c1 ZINC001595236933 949416307 /nfs/dbraw/zinc/41/63/07/949416307.db2.gz LZULNHLPIUDNPE-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)c1coc(-c2ccccc2)n1 ZINC001595238795 949433163 /nfs/dbraw/zinc/43/31/63/949433163.db2.gz CNRFGJSZHFOHTF-UHFFFAOYSA-N -1 0 348.358 3.633 20 0 EHADRM CC[C@@H]1CN(C(=O)NC[C@@H](C(=O)[O-])C(C)C)CC[C@@H]1c1ccccc1 ZINC001589624374 949455825 /nfs/dbraw/zinc/45/58/25/949455825.db2.gz HJOKXMYDNMYPNS-BPQIPLTHSA-N -1 0 346.471 3.569 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccc(OCc3ccccc3)nc2)c1 ZINC001595241825 949466679 /nfs/dbraw/zinc/46/66/79/949466679.db2.gz FMNBHOPFRWZPSP-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM O=C([O-])c1cccc(CN[C@@H](CO)c2cccc(Cl)c2Cl)c1 ZINC001595244337 949494234 /nfs/dbraw/zinc/49/42/34/949494234.db2.gz ASKCULASPXWDTN-AWEZNQCLSA-N -1 0 340.206 3.515 20 0 EHADRM CCC[C@@H]1[C@@H](C)CCCN1C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589637846 949636616 /nfs/dbraw/zinc/63/66/16/949636616.db2.gz RBXVQHBXJZHDDM-ZVDSWSACSA-N -1 0 338.492 3.732 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)O[C@@H](c1ccc2ccccc2c1)C(F)(F)F ZINC001602810736 971602096 /nfs/dbraw/zinc/60/20/96/971602096.db2.gz RQSYRLJSMZECBC-ZANVPECISA-N -1 0 326.270 3.707 20 0 EHADRM CCCCOc1ccccc1NC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC001589654362 949803316 /nfs/dbraw/zinc/80/33/16/949803316.db2.gz DJSIBXMSLQPJDX-KGLIPLIRSA-N -1 0 334.416 3.583 20 0 EHADRM CCCCc1nc(C)c(CC(=O)Nc2sccc2C(=O)[O-])s1 ZINC001589656092 949819610 /nfs/dbraw/zinc/81/96/10/949819610.db2.gz RMTRDQSJZDYAHE-UHFFFAOYSA-N -1 0 338.454 3.735 20 0 EHADRM O=C([O-])c1cncc(NC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)c1 ZINC001595271187 949827262 /nfs/dbraw/zinc/82/72/62/949827262.db2.gz MVZIKBZPXLGTCQ-MSOLQXFVSA-N -1 0 332.359 3.675 20 0 EHADRM CC(C)c1cccc(O[C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000236803788 949937056 /nfs/dbraw/zinc/93/70/56/949937056.db2.gz CWAVBZWDRDHCSR-CQSZACIVSA-N -1 0 341.407 3.592 20 0 EHADRM CC(C)C[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000236778637 949937246 /nfs/dbraw/zinc/93/72/46/949937246.db2.gz WHJBYIXLHJVURH-GOSISDBHSA-N -1 0 325.408 3.512 20 0 EHADRM CC(C)c1cccc(O[C@H](C)C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC000236802654 949938136 /nfs/dbraw/zinc/93/81/36/949938136.db2.gz LPFLRJMGMIGQQR-HZPDHXFCSA-N -1 0 347.455 3.681 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1cc(C2CC2)nc2ccc(C)cc21)C(=O)[O-] ZINC000236987304 949947421 /nfs/dbraw/zinc/94/74/21/949947421.db2.gz SAUMVNSLWVKBGS-SGTLLEGYSA-N -1 0 340.423 3.650 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000262089877 950062796 /nfs/dbraw/zinc/06/27/96/950062796.db2.gz LIOQVWZZHOOBPL-CHWSQXEVSA-N -1 0 337.803 3.711 20 0 EHADRM CCN(C(=O)C[C@H](Cc1ccccc1)c1ccccc1)[C@@H](C)C(=O)[O-] ZINC001589698725 950206713 /nfs/dbraw/zinc/20/67/13/950206713.db2.gz FNRVUQCSUAVGSA-LPHOPBHVSA-N -1 0 339.435 3.725 20 0 EHADRM CCN(C(=O)Nc1c(C)cc(C(F)(F)F)cc1C)[C@@H](C)C(=O)[O-] ZINC001589703083 950245074 /nfs/dbraw/zinc/24/50/74/950245074.db2.gz LECOVKPRCZNVLM-JTQLQIEISA-N -1 0 332.322 3.649 20 0 EHADRM C[C@@H]1CN(C(=O)C(C)(C)CCCc2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000263085679 950255162 /nfs/dbraw/zinc/25/51/62/950255162.db2.gz VCVOCFQJMLXNAC-WBVHZDCISA-N -1 0 331.456 3.605 20 0 EHADRM Cc1c(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)oc2c1c(C)ccc2C ZINC000263149568 950296837 /nfs/dbraw/zinc/29/68/37/950296837.db2.gz HIIQRDMZBFYIFQ-TZMCWYRMSA-N -1 0 329.396 3.683 20 0 EHADRM Cc1c(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)oc2c1c(C)ccc2C ZINC000263149559 950297202 /nfs/dbraw/zinc/29/72/02/950297202.db2.gz HIIQRDMZBFYIFQ-GXTWGEPZSA-N -1 0 329.396 3.683 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000263206684 950325589 /nfs/dbraw/zinc/32/55/89/950325589.db2.gz NAIHNAORYSOWPU-ZBFHGGJFSA-N -1 0 331.456 3.628 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000263333738 950376967 /nfs/dbraw/zinc/37/69/67/950376967.db2.gz MAENIVVTGRHKNB-ZBFHGGJFSA-N -1 0 339.391 3.662 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000263455361 950474885 /nfs/dbraw/zinc/47/48/85/950474885.db2.gz BVZQWIAHUDKVJG-SECBINFHSA-N -1 0 330.837 3.636 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000263538043 950507890 /nfs/dbraw/zinc/50/78/90/950507890.db2.gz PLNYBLDJOIUDLA-UONOGXRCSA-N -1 0 337.847 3.622 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)/C=C\c2cc(Cl)cc(Cl)c2)c1 ZINC000315663118 950850845 /nfs/dbraw/zinc/85/08/45/950850845.db2.gz TWIIDYKTPMPFFD-UPHRSURJSA-N -1 0 337.162 3.739 20 0 EHADRM Cc1nc(Cl)c(Cl)cc1C(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC000319374821 950957210 /nfs/dbraw/zinc/95/72/10/950957210.db2.gz VXPYDWOOQBNLLN-JTQLQIEISA-N -1 0 347.242 3.564 20 0 EHADRM CC(C)(C)c1cc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])cc(Cl)n1 ZINC000323137127 951042434 /nfs/dbraw/zinc/04/24/34/951042434.db2.gz IBYOUHHMEQMGPO-GFCCVEGCSA-N -1 0 338.835 3.502 20 0 EHADRM O=C([O-])C1(NC(=O)CSc2ccc3c(c2)CCC3)CCCCCC1 ZINC000324137521 951060441 /nfs/dbraw/zinc/06/04/41/951060441.db2.gz UQCZTAYGXQRQMU-UHFFFAOYSA-N -1 0 347.480 3.561 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)Nc1cccc(-c2nccs2)c1 ZINC000325545501 951087458 /nfs/dbraw/zinc/08/74/58/951087458.db2.gz CJLUXOVQFRMUEN-UHFFFAOYSA-N -1 0 338.388 3.690 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)s1 ZINC000325724226 951091325 /nfs/dbraw/zinc/09/13/25/951091325.db2.gz NVYRIQQVQYHZPW-WFASDCNBSA-N -1 0 344.436 3.511 20 0 EHADRM CC(C)C[C@H](CNc1c2ccccc2ncc1[N+](=O)[O-])CC(=O)[O-] ZINC000326461054 951100277 /nfs/dbraw/zinc/10/02/77/951100277.db2.gz QPNKVHDISIRPJX-LBPRGKRZSA-N -1 0 331.372 3.692 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2ccc3sccc3c2)Cc2ccccc21 ZINC000347385542 951133760 /nfs/dbraw/zinc/13/37/60/951133760.db2.gz ZTOZCHNBGJMBJE-INIZCTEOSA-N -1 0 337.400 3.726 20 0 EHADRM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccc(C(=O)[O-])cc1)[C@H]2C ZINC000357419755 951134926 /nfs/dbraw/zinc/13/49/26/951134926.db2.gz LRBGNLRZVNRFMC-OLZOCXBDSA-N -1 0 339.391 3.541 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000386754210 951302688 /nfs/dbraw/zinc/30/26/88/951302688.db2.gz CSDVWTWWISDDJH-SNVBAGLBSA-N -1 0 328.771 3.588 20 0 EHADRM O=C([O-])CC[C@H]1Cc2ccccc2N(C[C@H]2CCC3(CCC3)O2)C1 ZINC001595024730 951332772 /nfs/dbraw/zinc/33/27/72/951332772.db2.gz KIAAIIGJVXXXCC-DOTOQJQBSA-N -1 0 329.440 3.632 20 0 EHADRM CCOc1ccc(NC(=O)N[C@H](C(=O)[O-])c2cccc(C)c2)c(C)c1 ZINC001592691263 951349013 /nfs/dbraw/zinc/34/90/13/951349013.db2.gz GAMYUWHYBPQZSG-KRWDZBQOSA-N -1 0 342.395 3.650 20 0 EHADRM CCOc1ccc([C@H](C)OC(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC001592815996 951368771 /nfs/dbraw/zinc/36/87/71/951368771.db2.gz OKRRRQQVBUXZEP-ZDUSSCGKSA-N -1 0 328.364 3.630 20 0 EHADRM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000392274022 951417529 /nfs/dbraw/zinc/41/75/29/951417529.db2.gz DMCLVRFCSHKDTJ-LBPRGKRZSA-N -1 0 344.333 3.508 20 0 EHADRM CCCCc1ccc(CC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000393015703 951428265 /nfs/dbraw/zinc/42/82/65/951428265.db2.gz PCTSJLDOUCHTSQ-OAQYLSRUSA-N -1 0 339.435 3.688 20 0 EHADRM O=C([O-])CCCNc1nc(C2CC2)nc2sc3c(c21)CCCC3 ZINC001595052268 951470288 /nfs/dbraw/zinc/47/02/88/951470288.db2.gz LZKAOZIWXNSNBA-UHFFFAOYSA-N -1 0 331.441 3.724 20 0 EHADRM O=C([O-])CCNC(=O)/C=C\c1cccc(-c2ccc(Cl)cc2)c1 ZINC001595057560 951504760 /nfs/dbraw/zinc/50/47/60/951504760.db2.gz LACLKGWCFREZEO-WTKPLQERSA-N -1 0 329.783 3.611 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)Cc2ccc(-n3cccc3)cc2)c1 ZINC001595065723 951542731 /nfs/dbraw/zinc/54/27/31/951542731.db2.gz RDSYWBNHKNNMID-UHFFFAOYSA-N -1 0 348.402 3.676 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)N[C@@H]2CCc3cc(F)ccc32)c1 ZINC001595066788 951557593 /nfs/dbraw/zinc/55/75/93/951557593.db2.gz QVQOVDWAKVXXPW-QGZVFWFLSA-N -1 0 342.370 3.652 20 0 EHADRM O=C([O-])CCc1nnc(-c2cc(-c3ccco3)nc3ccccc32)o1 ZINC001595067232 951566514 /nfs/dbraw/zinc/56/65/14/951566514.db2.gz KSKRHPACSTWOGN-UHFFFAOYSA-N -1 0 335.319 3.562 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N1CC(c2ccc(Cl)cc2)C1 ZINC001595134818 952047991 /nfs/dbraw/zinc/04/79/91/952047991.db2.gz KJBWVAMSMGDPCJ-UHFFFAOYSA-N -1 0 344.798 3.598 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2CCC[C@@H]2c2ccccc2)ccc1O ZINC001595208250 952348059 /nfs/dbraw/zinc/34/80/59/952348059.db2.gz ULGGQOQIHVXODM-HUUCEWRRSA-N -1 0 325.364 3.613 20 0 EHADRM CC(C)(C)OC(=O)NCCCCCCS[C@H](C(=O)[O-])C1CC1 ZINC001602904782 971843147 /nfs/dbraw/zinc/84/31/47/971843147.db2.gz BZTMSLHJKKPUCZ-ZDUSSCGKSA-N -1 0 331.478 3.668 20 0 EHADRM Cc1cc(CNc2ccc(C#N)c(Br)c2)oc1C(=O)[O-] ZINC000383418775 971868374 /nfs/dbraw/zinc/86/83/74/971868374.db2.gz BPZRYLKGXHSGEZ-UHFFFAOYSA-N -1 0 335.157 3.533 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC001602916760 971873771 /nfs/dbraw/zinc/87/37/71/971873771.db2.gz IEQPJOFMBWXWHP-HXUWFJFHSA-N -1 0 341.407 3.594 20 0 EHADRM CC(C)(CNC(=O)Nc1ccccc1C(=O)[O-])c1cccc(F)c1 ZINC001602948234 971918780 /nfs/dbraw/zinc/91/87/80/971918780.db2.gz MANVGGFFWMCMNB-UHFFFAOYSA-N -1 0 330.359 3.623 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CCCCc2ccc(Cl)cc2)C1 ZINC001589269215 953398962 /nfs/dbraw/zinc/39/89/62/953398962.db2.gz RUMNQNDSWNEFMD-HIFRSBDPSA-N -1 0 337.847 3.622 20 0 EHADRM CC(C)[C@@H](CNC(=O)N(C)CCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000414613634 953399887 /nfs/dbraw/zinc/39/98/87/953399887.db2.gz SAKFAMYAIIAGLE-OAHLLOKOSA-N -1 0 340.851 3.586 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C2(Sc3ccccc3)CCCC2)C1 ZINC001589269717 953407211 /nfs/dbraw/zinc/40/72/11/953407211.db2.gz ZWWVQOUZONWGRH-LSDHHAIUSA-N -1 0 347.480 3.661 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1cccnc1-c1ccccc1 ZINC000417767275 953418657 /nfs/dbraw/zinc/41/86/57/953418657.db2.gz QCAIMBBBSYSFND-UHFFFAOYSA-N -1 0 327.384 3.515 20 0 EHADRM CC1CCN(c2cccc(NC(=O)NCCC(C)(C)C(=O)[O-])c2)CC1 ZINC000424375695 953451214 /nfs/dbraw/zinc/45/12/14/953451214.db2.gz ATWPKKAEHAJUTM-UHFFFAOYSA-N -1 0 347.459 3.545 20 0 EHADRM Cc1ccc(-c2cccnc2)cc1NC(=O)NCCC(C)(C)C(=O)[O-] ZINC000424382085 953453806 /nfs/dbraw/zinc/45/38/06/953453806.db2.gz AXMZVPRFUGQBKC-UHFFFAOYSA-N -1 0 341.411 3.679 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1cc(-c2ccccc2)cnc1C)C(=O)[O-] ZINC001593610053 953462552 /nfs/dbraw/zinc/46/25/52/953462552.db2.gz YPAYYVXKNKQJBH-SJCJKPOMSA-N -1 0 341.411 3.678 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1cccc2c1ccn2C(F)F)C(=O)[O-] ZINC001593610148 953464155 /nfs/dbraw/zinc/46/41/55/953464155.db2.gz XQPJBLULZRYDIF-ZANVPECISA-N -1 0 339.342 3.657 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)NCCC(C)(C)C(=O)[O-])c1C ZINC000424409701 953473680 /nfs/dbraw/zinc/47/36/80/953473680.db2.gz XONYWBMXCZQPKS-INIZCTEOSA-N -1 0 332.444 3.651 20 0 EHADRM CCN(C(=O)NCC(CC)(CC)C(=O)[O-])[C@@H](C)Cc1ccsc1 ZINC000424429764 953484720 /nfs/dbraw/zinc/48/47/20/953484720.db2.gz KLRPCTMIRTZSMW-ZDUSSCGKSA-N -1 0 340.489 3.602 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)NCCCc2ccco2)c1Cl ZINC001594758645 953491156 /nfs/dbraw/zinc/49/11/56/953491156.db2.gz VUHRFFOIBPDDGK-UHFFFAOYSA-N -1 0 340.738 3.525 20 0 EHADRM Cc1ccc(-c2csc3ncnc(N4CC[C@H](C(=O)[O-])C4)c23)cc1 ZINC000515519231 953540466 /nfs/dbraw/zinc/54/04/66/953540466.db2.gz BNXWNEGORVGXGA-ZDUSSCGKSA-N -1 0 339.420 3.578 20 0 EHADRM C[C@@H]1CC(C)(C)N(C(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)c2ccccc21 ZINC001589284521 953546315 /nfs/dbraw/zinc/54/63/15/953546315.db2.gz IVMXDZRVXMKWDP-KFWWJZLASA-N -1 0 345.439 3.575 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000532255757 953563300 /nfs/dbraw/zinc/56/33/00/953563300.db2.gz WRZFXDGJRLYXFO-CQSZACIVSA-N -1 0 335.469 3.709 20 0 EHADRM CCCCCOc1ccc(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000533188329 953568487 /nfs/dbraw/zinc/56/84/87/953568487.db2.gz KLQIXXZEBGNHNS-HNNXBMFYSA-N -1 0 333.428 3.583 20 0 EHADRM C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@@H](CC(=O)[O-])C2)CC(C)(C)C1 ZINC001589285985 953572672 /nfs/dbraw/zinc/57/26/72/953572672.db2.gz KOURIUVKLYRVEL-PMPSAXMXSA-N -1 0 338.492 3.735 20 0 EHADRM CCc1cc(N2CCC(c3ccccc3C(=O)[O-])CC2)nc(CC)n1 ZINC001593633146 953590479 /nfs/dbraw/zinc/59/04/79/953590479.db2.gz ZCOZZTHOWGCFQU-UHFFFAOYSA-N -1 0 339.439 3.684 20 0 EHADRM CCc1ccc(CN(C(=O)[C@]2(C(=O)[O-])CC=CCC2)C2CC2)cc1 ZINC001593637698 953621034 /nfs/dbraw/zinc/62/10/34/953621034.db2.gz BGORNTBEPWXIOS-FQEVSTJZSA-N -1 0 327.424 3.551 20 0 EHADRM C[C@@H]1CCN(C(=O)N[C@@H](CC2CCC2)c2ccccc2)C[C@H]1C(=O)[O-] ZINC000567807140 953634767 /nfs/dbraw/zinc/63/47/67/953634767.db2.gz YAUHSXSXFJSJAB-OLMNPRSZSA-N -1 0 344.455 3.670 20 0 EHADRM O=C([O-])CC1(C(=O)Nc2cccc(N3CCCCCC3)c2)CCC1 ZINC000567987898 953640681 /nfs/dbraw/zinc/64/06/81/953640681.db2.gz OFNGHQDRZMNTRX-UHFFFAOYSA-N -1 0 330.428 3.651 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000570632552 953658506 /nfs/dbraw/zinc/65/85/06/953658506.db2.gz RPNKPLQJRMGBEU-RTBURBONSA-N -1 0 337.419 3.518 20 0 EHADRM CC1CCN(c2cccc(NC(=O)C3(CC(=O)[O-])CCC3)c2)CC1 ZINC000571765696 953663451 /nfs/dbraw/zinc/66/34/51/953663451.db2.gz DZSUIHLCQKADJN-UHFFFAOYSA-N -1 0 330.428 3.506 20 0 EHADRM CCc1nc(C(C)C)ccc1C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593648952 953697288 /nfs/dbraw/zinc/69/72/88/953697288.db2.gz RCEDEOMMYZGGSL-VHDGCEQUSA-N -1 0 346.471 3.633 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC001589303335 953710329 /nfs/dbraw/zinc/71/03/29/953710329.db2.gz GFBIAIKATLXXIP-KXBFYZLASA-N -1 0 337.419 3.608 20 0 EHADRM CCc1ncsc1C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001593653795 953727807 /nfs/dbraw/zinc/72/78/07/953727807.db2.gz DGGMWXSFJANELY-UHFFFAOYSA-N -1 0 336.438 3.596 20 0 EHADRM O=C([O-])[C@H]1CCN(CCCOCCc2ccccc2)c2ccccc21 ZINC000583985127 953731151 /nfs/dbraw/zinc/73/11/51/953731151.db2.gz RKBWJRGXUGHJCS-IBGZPJMESA-N -1 0 339.435 3.714 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)NC2(c3cccc(Cl)c3)CCC2)c1 ZINC001594801623 953741221 /nfs/dbraw/zinc/74/12/21/953741221.db2.gz ILGRHEZMMYLLSE-UHFFFAOYSA-N -1 0 345.786 3.634 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1ccc(Cl)c2ncccc12 ZINC001589306954 953754917 /nfs/dbraw/zinc/75/49/17/953754917.db2.gz ZLGMTBQIMIKURI-QWRGUYRKSA-N -1 0 347.802 3.605 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N[C@H]2CCCOc3c(F)cccc32)c1 ZINC001594809307 953801325 /nfs/dbraw/zinc/80/13/25/953801325.db2.gz UNNYXVUQSGFINX-HNNXBMFYSA-N -1 0 344.342 3.559 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N[C@H]2CCOc3c(Cl)cccc32)c1 ZINC001594809501 953803703 /nfs/dbraw/zinc/80/37/03/953803703.db2.gz YRWVKNCXTIOOED-AWEZNQCLSA-N -1 0 346.770 3.684 20 0 EHADRM CC(C)(CCNC(=O)NCc1ccc(-c2ccccc2)s1)C(=O)[O-] ZINC000626769247 953816648 /nfs/dbraw/zinc/81/66/48/953816648.db2.gz WSKFHRSRGHNRQF-UHFFFAOYSA-N -1 0 346.452 3.715 20 0 EHADRM CCn1c(S[C@H](C(=O)[O-])C2CC2)nnc1-c1ccc(Cl)cc1 ZINC001593663709 953817238 /nfs/dbraw/zinc/81/72/38/953817238.db2.gz XXZNAYYJBHECSQ-LBPRGKRZSA-N -1 0 337.832 3.574 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N[C@@H]1C[C@H]1c1ccccc1Cl ZINC001594810996 953820078 /nfs/dbraw/zinc/82/00/78/953820078.db2.gz QZTNOIYOWQJSTR-SWLSCSKDSA-N -1 0 330.771 3.716 20 0 EHADRM C[C@H]1CCC[C@H](C(=O)Nc2scc(-c3cnn(C)c3)c2C(=O)[O-])C1 ZINC001589314586 953820899 /nfs/dbraw/zinc/82/08/99/953820899.db2.gz HJFXIGFLIFFUQH-QWRGUYRKSA-N -1 0 347.440 3.612 20 0 EHADRM C[C@H]1CCC[C@H]1CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001589318902 953841690 /nfs/dbraw/zinc/84/16/90/953841690.db2.gz CBXMPFBVBSCIOB-IUCAKERBSA-N -1 0 328.771 3.735 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1ccsc1C(F)(F)F)CC(=O)[O-] ZINC000630199057 953846156 /nfs/dbraw/zinc/84/61/56/953846156.db2.gz CFYUZQFIWBEOQH-VIFPVBQESA-N -1 0 337.363 3.634 20 0 EHADRM C[C@@H]1CN(C(=O)Cc2cc(Cl)cc3ccccc32)CC[C@@H]1C(=O)[O-] ZINC000630211116 953847906 /nfs/dbraw/zinc/84/79/06/953847906.db2.gz SMHXEUDWHCSGFG-WBMJQRKESA-N -1 0 345.826 3.605 20 0 EHADRM CC[C@H](c1ccccc1OC)N(C)C(=O)Cc1ccccc1C(=O)[O-] ZINC000630295828 953850398 /nfs/dbraw/zinc/85/03/98/953850398.db2.gz MRZVKZVMWVRBAV-QGZVFWFLSA-N -1 0 341.407 3.546 20 0 EHADRM CC(C)c1nc2cc(NC(=O)N3CC[C@@H](C(=O)[O-])[C@@H](C)C3)ccc2o1 ZINC000630560182 953859908 /nfs/dbraw/zinc/85/99/08/953859908.db2.gz AEWIITMMHWNVLL-WCQYABFASA-N -1 0 345.399 3.526 20 0 EHADRM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001589320755 953869012 /nfs/dbraw/zinc/86/90/12/953869012.db2.gz AWUNWRHNEITIDO-CABZTGNLSA-N -1 0 343.782 3.711 20 0 EHADRM O=C([O-])C1CCC(NC(=O)Nc2csnc2-c2ccccc2)CC1 ZINC001594817415 953876538 /nfs/dbraw/zinc/87/65/38/953876538.db2.gz YHAQOYZCZKPMMV-UHFFFAOYSA-N -1 0 345.424 3.575 20 0 EHADRM C[C@@H]1CCCN(C(=O)/C=C\c2ccc(F)c3ccccc23)[C@H]1C(=O)[O-] ZINC001589325190 953896690 /nfs/dbraw/zinc/89/66/90/953896690.db2.gz AAKGFBCICVWFMA-QHVTVDFMSA-N -1 0 341.382 3.704 20 0 EHADRM CN(C(=O)[C@H](C(=O)[O-])C(C)(C)C)c1nc2cc(Cl)ccc2s1 ZINC001593676092 953928088 /nfs/dbraw/zinc/92/80/88/953928088.db2.gz JMJATMSYVIOAIW-LLVKDONJSA-N -1 0 340.832 3.659 20 0 EHADRM CN(C(=O)Nc1cncc(C(=O)[O-])c1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001593680978 953952048 /nfs/dbraw/zinc/95/20/48/953952048.db2.gz GFYRZBTXNPVOHZ-IAGOWNOFSA-N -1 0 339.395 3.580 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])nc1)c1ccccc1-c1ccccc1 ZINC001593683009 953974872 /nfs/dbraw/zinc/97/48/72/953974872.db2.gz RROYWSVRFOWRRX-UHFFFAOYSA-N -1 0 332.359 3.723 20 0 EHADRM C[C@H]1CCN(C(=O)NCc2cccc(C(=O)[O-])c2)[C@@H]1c1ccccc1 ZINC001589343889 954035045 /nfs/dbraw/zinc/03/50/45/954035045.db2.gz JTRDOWFEFMWBSR-KSSFIOAISA-N -1 0 338.407 3.678 20 0 EHADRM CC(C)Oc1ccccc1CN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000652471133 954088919 /nfs/dbraw/zinc/08/89/19/954088919.db2.gz UTGVPBBOXONDTA-GOSISDBHSA-N -1 0 325.408 3.658 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000653315199 954140006 /nfs/dbraw/zinc/14/00/06/954140006.db2.gz XBRAKUUVPROZGE-CXAGYDPISA-N -1 0 325.364 3.557 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000653317223 954141898 /nfs/dbraw/zinc/14/18/98/954141898.db2.gz ODFZUIJWENUTAK-BHGAFXIHSA-N -1 0 342.222 3.561 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)C[C@@H]2CCc3ccccc3C2)c2ccccc21 ZINC000653330848 954160287 /nfs/dbraw/zinc/16/02/87/954160287.db2.gz KQGWXXNWAWAUDJ-XMCHAPAWSA-N -1 0 349.430 3.611 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)C(=O)c1cc(SC)c(Cl)cc1Cl ZINC000653341702 954175374 /nfs/dbraw/zinc/17/53/74/954175374.db2.gz KHGGMWQWAMRCJO-SNVBAGLBSA-N -1 0 336.240 3.651 20 0 EHADRM O=C([O-])C1(C(=O)N[C@H](Cc2ccccc2)C2CC2)CCCCCC1 ZINC001594852540 954207483 /nfs/dbraw/zinc/20/74/83/954207483.db2.gz XANBYDCFCXFWCX-QGZVFWFLSA-N -1 0 329.440 3.549 20 0 EHADRM C[C@@H](NC(=O)C1(Cc2ccccc2)CCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655584266 954225735 /nfs/dbraw/zinc/22/57/35/954225735.db2.gz HHLQTTVJZFOFEG-HYVNUMGLSA-N -1 0 343.467 3.651 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc(Oc2ccc(F)cc2)cc1)C1CCC1 ZINC000655593855 954231832 /nfs/dbraw/zinc/23/18/32/954231832.db2.gz UIODHJNRQJSYJG-UHFFFAOYSA-N -1 0 343.354 3.697 20 0 EHADRM CN(CC1(c2ccccc2)CC1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001593726662 954278568 /nfs/dbraw/zinc/27/85/68/954278568.db2.gz POPCCTCUBIKYHI-UHFFFAOYSA-N -1 0 342.370 3.719 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C2CCC(C3CC3)CC2)C[C@H]1c1ccccc1 ZINC000659150037 954311617 /nfs/dbraw/zinc/31/16/17/954311617.db2.gz QXDHCJFPUMAMEJ-SOTJZCEJSA-N -1 0 341.451 3.530 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC[C@@H]1C(=O)[O-] ZINC001589391028 954320521 /nfs/dbraw/zinc/32/05/21/954320521.db2.gz BMYQKOGPSXYQRB-SCZZXKLOSA-N -1 0 349.736 3.542 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2ncc(-c3ccccc3F)s2)CC=CCC1 ZINC001594872690 954366844 /nfs/dbraw/zinc/36/68/44/954366844.db2.gz VDMLUSKZCCEMHB-QGZVFWFLSA-N -1 0 346.383 3.699 20 0 EHADRM Cc1ccccc1-c1nc(C(=O)N(CC(=O)[O-])CC(C)(C)C)cs1 ZINC000659781170 954372036 /nfs/dbraw/zinc/37/20/36/954372036.db2.gz BXPCTYHWWLXQCC-UHFFFAOYSA-N -1 0 346.452 3.691 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1c1nc2cccc(OC(F)F)c2s1 ZINC000662892973 954399872 /nfs/dbraw/zinc/39/98/72/954399872.db2.gz HKUZLUQSQBZTES-DTWKUNHWSA-N -1 0 342.367 3.587 20 0 EHADRM Cc1nc(-c2ccccc2)sc1NC(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC000663045165 954417126 /nfs/dbraw/zinc/41/71/26/954417126.db2.gz GHCJKQICTYWHNM-KRWDZBQOSA-N -1 0 330.409 3.558 20 0 EHADRM CN(CCN1C[C@@H](CCC(=O)[O-])Cc2ccccc21)c1ccccc1 ZINC001593752137 954425638 /nfs/dbraw/zinc/42/56/38/954425638.db2.gz UIRMRTLKVAJROH-KRWDZBQOSA-N -1 0 338.451 3.667 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000663087708 954467940 /nfs/dbraw/zinc/46/79/40/954467940.db2.gz AZKNTXZVXKYHRP-OAHLLOKOSA-N -1 0 329.318 3.621 20 0 EHADRM O=C([O-])C1(c2noc(-c3coc(-c4ccccc4Cl)n3)n2)CCC1 ZINC001594886902 954472572 /nfs/dbraw/zinc/47/25/72/954472572.db2.gz HQNZIVZMSNXKGE-UHFFFAOYSA-N -1 0 345.742 3.551 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)NCCCCCCC(=O)[O-])c(C)s1 ZINC000385826996 972016927 /nfs/dbraw/zinc/01/69/27/972016927.db2.gz VYVWJSPSWVEMTE-GFCCVEGCSA-N -1 0 326.462 3.760 20 0 EHADRM C[C@@H]1Cc2cc(Cl)ccc2N1C(=O)Cc1ccccc1C(=O)[O-] ZINC001589411028 954516359 /nfs/dbraw/zinc/51/63/59/954516359.db2.gz MPHICAAHBMXEQA-LLVKDONJSA-N -1 0 329.783 3.559 20 0 EHADRM COCCN(CC(=O)[O-])Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000666578699 954563812 /nfs/dbraw/zinc/56/38/12/954563812.db2.gz IZWXSNVRCMVDGM-UHFFFAOYSA-N -1 0 333.815 3.540 20 0 EHADRM O=C([O-])CCCCNC(=O)c1ccccc1SCc1ccco1 ZINC000678981022 954587540 /nfs/dbraw/zinc/58/75/40/954587540.db2.gz CMXCDYTYRJXHFM-UHFFFAOYSA-N -1 0 333.409 3.557 20 0 EHADRM Cc1cccc(C2(C(=O)N3Cc4ccccc4[C@@H](C(=O)[O-])C3)CCC2)c1 ZINC000679093897 954589292 /nfs/dbraw/zinc/58/92/92/954589292.db2.gz DFEOSOVIRONZEZ-IBGZPJMESA-N -1 0 349.430 3.627 20 0 EHADRM CCC(C)(C)c1ccc(COC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)cc1 ZINC001589451517 954803393 /nfs/dbraw/zinc/80/33/93/954803393.db2.gz GUBMSFSJNBTMMX-NVXWUHKLSA-N -1 0 348.439 3.687 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)[C@H](F)CC2CCCCC2)Cc2ccccc21 ZINC001594941597 954900782 /nfs/dbraw/zinc/90/07/82/954900782.db2.gz WCEQPNICHHXFKC-DLBZAZTESA-N -1 0 333.403 3.506 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)NCCCCOc1ccc(Cl)cc1 ZINC001589474357 954947999 /nfs/dbraw/zinc/94/79/99/954947999.db2.gz XNPUKRRKHKBDKC-UHFFFAOYSA-N -1 0 341.835 3.506 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)NCC1(c2cccc(OC)c2)CCCC1 ZINC001589474601 954952366 /nfs/dbraw/zinc/95/23/66/954952366.db2.gz VWNRXJPWVLUONQ-UHFFFAOYSA-N -1 0 347.455 3.514 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1cc(CCc2ccccc2)ccn1 ZINC001589477331 954961411 /nfs/dbraw/zinc/96/14/11/954961411.db2.gz CPKUOXSESDCXOY-UHFFFAOYSA-N -1 0 340.423 3.696 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1cccc2cc(C(=O)OC)sc21 ZINC001589480308 954968251 /nfs/dbraw/zinc/96/82/51/954968251.db2.gz QAVMSDBPLDOBMS-UHFFFAOYSA-N -1 0 349.408 3.517 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)OCc1cc(C)ccc1Br ZINC001589481205 954975831 /nfs/dbraw/zinc/97/58/31/954975831.db2.gz OIIPEQXHGNTSHK-UHFFFAOYSA-N -1 0 343.217 3.692 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N1CCc2cc(C(C)C)ccc2C1)C(=O)[O-] ZINC001603009090 972060006 /nfs/dbraw/zinc/06/00/06/972060006.db2.gz UCNFLJMUSPKAQW-SFHVURJKSA-N -1 0 346.471 3.625 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N1CC2(CCCC2)[C@@H]1c1ccco1)C(=O)[O-] ZINC001603009154 972060043 /nfs/dbraw/zinc/06/00/43/972060043.db2.gz WICYXKDPSNUPCY-HOCLYGCPSA-N -1 0 348.443 3.653 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CC2(CCCC2)[C@H]1c1ccco1)C(=O)[O-] ZINC001603009150 972060417 /nfs/dbraw/zinc/06/04/17/972060417.db2.gz WICYXKDPSNUPCY-GDBMZVCRSA-N -1 0 348.443 3.653 20 0 EHADRM CCC(CC)(CNC(=O)N[C@@H](c1ccccc1C)C1CC1)C(=O)[O-] ZINC001589489358 955008796 /nfs/dbraw/zinc/00/87/96/955008796.db2.gz FNWMSWVTBIEASE-MRXNPFEDSA-N -1 0 332.444 3.636 20 0 EHADRM CCC(CC)(CNC(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1)C(=O)[O-] ZINC001589489602 955012407 /nfs/dbraw/zinc/01/24/07/955012407.db2.gz ZIXFDIYKPGIKSB-DLBZAZTESA-N -1 0 346.471 3.588 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)N2CC3(CCCC3)[C@@H]2c2ccco2)co1 ZINC001594964034 955033401 /nfs/dbraw/zinc/03/34/01/955033401.db2.gz BVEVRJDHUYBINA-OSJSJHBBSA-N -1 0 341.363 3.728 20 0 EHADRM CCC(CC)(CNc1cc(-c2ccccc2)nc2ccnn21)C(=O)[O-] ZINC001589506981 955039516 /nfs/dbraw/zinc/03/95/16/955039516.db2.gz NJKCBVRGIREUGI-UHFFFAOYSA-N -1 0 338.411 3.699 20 0 EHADRM CC[C@@H](CNC(=O)Nc1ccc(C)c(OCCC(C)C)c1)C(=O)[O-] ZINC001589538568 955182804 /nfs/dbraw/zinc/18/28/04/955182804.db2.gz WYKDISUBGCNUHN-AWEZNQCLSA-N -1 0 336.432 3.652 20 0 EHADRM CC[C@@H](CNC(=O)Nc1ccc2c(ccn2CC(C)C)c1)C(=O)[O-] ZINC001589545181 955194726 /nfs/dbraw/zinc/19/47/26/955194726.db2.gz GFVURAAFRPNQOQ-ZDUSSCGKSA-N -1 0 331.416 3.530 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)NC[C@@H](C(=O)[O-])C(C)C)c1 ZINC001603024357 972083335 /nfs/dbraw/zinc/08/33/35/972083335.db2.gz MWUVXIGYVXFUJO-MRXNPFEDSA-N -1 0 336.432 3.590 20 0 EHADRM COc1ccc2oc(C)c(C(=O)NC3(CC(=O)[O-])CCCCC3)c2c1 ZINC000767058159 955316959 /nfs/dbraw/zinc/31/69/59/955316959.db2.gz LBCHFYTVYCREIQ-UHFFFAOYSA-N -1 0 345.395 3.657 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)/C=C/c2ccc(-c3ccc(F)cc3)s2)C1 ZINC000769511958 955320031 /nfs/dbraw/zinc/32/00/31/955320031.db2.gz XJHCZEQQDKRRGU-STMXVASLSA-N -1 0 345.395 3.501 20 0 EHADRM Cc1oc(-c2cccs2)nc1C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000777395094 955338128 /nfs/dbraw/zinc/33/81/28/955338128.db2.gz ICBBRWXRYFFUHN-LBPRGKRZSA-N -1 0 348.424 3.571 20 0 EHADRM CC(C)(C)c1csc(NC(=O)NCCCCCCC(=O)[O-])n1 ZINC000387056663 972100652 /nfs/dbraw/zinc/10/06/52/972100652.db2.gz QVAWGTWHOHRCIY-UHFFFAOYSA-N -1 0 327.450 3.597 20 0 EHADRM C[C@H](C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1c(Cl)cccc1Cl ZINC000823341007 955528784 /nfs/dbraw/zinc/52/87/84/955528784.db2.gz IQUFVSJKILUKFG-GARJFASQSA-N -1 0 344.238 3.666 20 0 EHADRM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000833616816 955557521 /nfs/dbraw/zinc/55/75/21/955557521.db2.gz HTKZJGMQVROBDI-ACJLOTCBSA-N -1 0 338.407 3.508 20 0 EHADRM C[C@@](CNC(=O)/C=C/C1CCCCCC1)(C(=O)[O-])c1ccccc1 ZINC001589045122 955623036 /nfs/dbraw/zinc/62/30/36/955623036.db2.gz WAEIPRQSNKRFTC-AIGDTVQASA-N -1 0 329.440 3.672 20 0 EHADRM O=C([O-])CCCC(=O)N[C@H](CCc1ccccc1)c1ccccc1 ZINC000844248607 955664147 /nfs/dbraw/zinc/66/41/47/955664147.db2.gz CDWMVIOSDSNUIB-GOSISDBHSA-N -1 0 325.408 3.732 20 0 EHADRM CC(C)n1c2ccccc2nc1[C@@H]1CCCN1C(=O)CCCC(=O)[O-] ZINC000844251228 955668543 /nfs/dbraw/zinc/66/85/43/955668543.db2.gz FHPOBBQORALBEY-INIZCTEOSA-N -1 0 343.427 3.536 20 0 EHADRM CC(C)Cc1ncc(C(=O)N2CCCc3cc(C(=O)[O-])ccc32)s1 ZINC001603054403 972120292 /nfs/dbraw/zinc/12/02/92/972120292.db2.gz RFDBOVFHVZKUQJ-UHFFFAOYSA-N -1 0 344.436 3.633 20 0 EHADRM Cn1ccc2c1cccc2NC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001594552891 955738111 /nfs/dbraw/zinc/73/81/11/955738111.db2.gz MIOFLYNBCGPNDH-WBVHZDCISA-N -1 0 349.390 3.613 20 0 EHADRM CC(C)Cn1ccc2c1cccc2C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001603056323 972124379 /nfs/dbraw/zinc/12/43/79/972124379.db2.gz NIZPDDMKNFDHSQ-UHFFFAOYSA-N -1 0 337.379 3.643 20 0 EHADRM C[C@@H](CSc1ccc(F)cc1)C(=O)NCc1ccccc1C(=O)[O-] ZINC001589076948 955828598 /nfs/dbraw/zinc/82/85/98/955828598.db2.gz KSPJKUUVLHWCOP-LBPRGKRZSA-N -1 0 347.411 3.569 20 0 EHADRM CC(C)c1ccc(C[C@@H](C)NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)cc1 ZINC001589078811 955834601 /nfs/dbraw/zinc/83/46/01/955834601.db2.gz BKKBCJNMYNJDPH-FOIQADDNSA-N -1 0 329.440 3.668 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)CC=CC1 ZINC000852951113 955873753 /nfs/dbraw/zinc/87/37/53/955873753.db2.gz OFHHYBYCKFWSBX-UHFFFAOYSA-N -1 0 348.830 3.690 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)[C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000852954410 955880987 /nfs/dbraw/zinc/88/09/87/955880987.db2.gz YJTDKCINWXAZDO-QZTJIDSGSA-N -1 0 329.440 3.674 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N(C2CC2)[C@H]2CCc3ccccc32)o1 ZINC000864106043 955936125 /nfs/dbraw/zinc/93/61/25/955936125.db2.gz TZRLRPVCXZGJQH-KQPPXVQYSA-N -1 0 337.375 3.670 20 0 EHADRM COc1ccccc1-c1ccc(C(=O)NC[C@@H](C(=O)[O-])C(C)C)s1 ZINC000868439089 956012600 /nfs/dbraw/zinc/01/26/00/956012600.db2.gz MAYZKXBIJAIEPC-CYBMUJFWSA-N -1 0 347.436 3.510 20 0 EHADRM CC(C)O[C@H](C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1ccccc1 ZINC001603076005 972147794 /nfs/dbraw/zinc/14/77/94/972147794.db2.gz RIBKTUANZIINFW-CVEARBPZSA-N -1 0 335.444 3.548 20 0 EHADRM C[C@H](NC(=O)c1ccc(F)c(C(F)F)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589117594 956104264 /nfs/dbraw/zinc/10/42/64/956104264.db2.gz NKFXZHKHCXSJSP-KPXOXKRLSA-N -1 0 343.345 3.629 20 0 EHADRM Cc1ccc([C@@H](C)N(C)C(=O)NCc2ccccc2C(=O)[O-])cc1 ZINC000874409407 956180956 /nfs/dbraw/zinc/18/09/56/956180956.db2.gz JOCMALZYAIQNKH-CQSZACIVSA-N -1 0 326.396 3.596 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)Nc2ccc([C@@H](F)C(F)(F)F)cc2)C1 ZINC000887394456 956259529 /nfs/dbraw/zinc/25/95/29/956259529.db2.gz RUROJKIZMMUXOT-CMPLNLGQSA-N -1 0 348.296 3.588 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)C2(C(F)F)CCC2)CC1 ZINC000901551750 956336111 /nfs/dbraw/zinc/33/61/11/956336111.db2.gz MKJKSHZJWYUERI-UHFFFAOYSA-N -1 0 337.366 3.526 20 0 EHADRM CC(C)c1cc(C(=O)Nc2ccc(C(=O)[O-])cn2)c2ccccc2n1 ZINC001603099418 972172562 /nfs/dbraw/zinc/17/25/62/972172562.db2.gz HEHXOKOKBKROPS-UHFFFAOYSA-N -1 0 335.363 3.704 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)N(Cc2ccc(F)cc2)CC2CC2)co1 ZINC000901597897 956362880 /nfs/dbraw/zinc/36/28/80/956362880.db2.gz JZAPMSLCWNDZIL-FPLPWBNLSA-N -1 0 343.354 3.569 20 0 EHADRM C[C@H](SCC(=O)Nc1ccccc1Oc1ccccc1)C(=O)[O-] ZINC001589169746 956463754 /nfs/dbraw/zinc/46/37/54/956463754.db2.gz LJBRHBKOEYFXEL-LBPRGKRZSA-N -1 0 331.393 3.624 20 0 EHADRM C[C@@H](SCC(=O)N[C@H](c1ccccc1)C1CCCCC1)C(=O)[O-] ZINC001589169803 956464884 /nfs/dbraw/zinc/46/48/84/956464884.db2.gz OFEPHZPEICMQOV-CXAGYDPISA-N -1 0 335.469 3.631 20 0 EHADRM Cc1ccc(C[C@H]2CCCN2C(=O)c2coc(/C=C/C(=O)[O-])c2)cc1 ZINC000901847965 956502164 /nfs/dbraw/zinc/50/21/64/956502164.db2.gz OUXIDVQQHFTWCU-KBOKABMXSA-N -1 0 339.391 3.533 20 0 EHADRM C[C@@H](c1ccccc1)N(C(=O)c1cccc(OCC(=O)[O-])c1)C1CC1 ZINC001589177671 956514560 /nfs/dbraw/zinc/51/45/60/956514560.db2.gz UHEQUZGNXNRSID-AWEZNQCLSA-N -1 0 339.391 3.516 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CCC[C@H](Cc2ccccc2)C1 ZINC001589201281 956636547 /nfs/dbraw/zinc/63/65/47/956636547.db2.gz NJIDMQWHLZSDJQ-MRXNPFEDSA-N -1 0 343.467 3.605 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)CC[C@H]2CCc3ccccc32)Cc2ccccc21 ZINC000902068357 956636905 /nfs/dbraw/zinc/63/69/05/956636905.db2.gz AASUGAHZEPBKCG-UZLBHIALSA-N -1 0 349.430 3.707 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CO[C@H]2CCCc3ccccc32)c(F)c1 ZINC001594701878 956807840 /nfs/dbraw/zinc/80/78/40/956807840.db2.gz UERNUGBGYOSEMD-KRWDZBQOSA-N -1 0 343.354 3.557 20 0 EHADRM CSc1cc(C(=O)N2C[C@H](CCC(=O)[O-])Cc3ccccc32)co1 ZINC000902820292 956808576 /nfs/dbraw/zinc/80/85/76/956808576.db2.gz QJIDBUPFZUIBOV-GFCCVEGCSA-N -1 0 345.420 3.685 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccc(C(=O)[O-])cc2F)[C@@H]1c1ccco1 ZINC001589229801 956815656 /nfs/dbraw/zinc/81/56/56/956815656.db2.gz IEFKGHVQDIMING-CQSZACIVSA-N -1 0 332.331 3.732 20 0 EHADRM COc1ccc(-c2cc(COc3ccc(CC(=O)[O-])cc3)on2)cc1 ZINC000012852253 956905391 /nfs/dbraw/zinc/90/53/91/956905391.db2.gz OWMIFUPIJYBDPR-UHFFFAOYSA-N -1 0 339.347 3.556 20 0 EHADRM O=C([O-])c1ccc(OCc2cc(-c3cccs3)on2)c([N+](=O)[O-])c1 ZINC000013054720 956919118 /nfs/dbraw/zinc/91/91/18/956919118.db2.gz VBWHLTLBJPPHGN-UHFFFAOYSA-N -1 0 346.320 3.589 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC001594716561 956937031 /nfs/dbraw/zinc/93/70/31/956937031.db2.gz XGAYWJJTCZAKEK-ZDUSSCGKSA-N -1 0 342.153 3.688 20 0 EHADRM COc1cccc(CC(=O)Nc2cc3ccccc3cc2C(=O)[O-])c1 ZINC000013171483 956954546 /nfs/dbraw/zinc/95/45/46/956954546.db2.gz ZCZZNYPUCTUFCG-UHFFFAOYSA-N -1 0 335.359 3.728 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCC(C)(c2ccc(Cl)cc2)CC1 ZINC001589252384 956960535 /nfs/dbraw/zinc/96/05/35/956960535.db2.gz FIYUKOUTOCLBPF-LJQANCHMSA-N -1 0 349.858 3.721 20 0 EHADRM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)[O-])cc1 ZINC000013187703 956972899 /nfs/dbraw/zinc/97/28/99/956972899.db2.gz GOINXGHWDCYTLT-NSHDSACASA-N -1 0 333.771 3.753 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000013225805 956984415 /nfs/dbraw/zinc/98/44/15/956984415.db2.gz MPYDMVMFSXAIHU-HERUPUMHSA-N -1 0 342.222 3.851 20 0 EHADRM C[C@H](CCOCc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000389608881 972234469 /nfs/dbraw/zinc/23/44/69/972234469.db2.gz GITZEQKHRBKEMO-CQSZACIVSA-N -1 0 342.395 3.502 20 0 EHADRM C[C@@H]1[C@H](C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)[C@H]1c1ccccc1 ZINC001589257940 957014973 /nfs/dbraw/zinc/01/49/73/957014973.db2.gz DSXAXRAHGAWHCN-IVJVFBROSA-N -1 0 335.403 3.641 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)CSCc1cccs1 ZINC000013390566 957044887 /nfs/dbraw/zinc/04/48/87/957044887.db2.gz RQBKYISPBLPKQZ-UHFFFAOYSA-N -1 0 347.461 3.659 20 0 EHADRM O=C([O-])c1ccoc1CSc1nnc2sc3ccccc3n12 ZINC000013416475 957057064 /nfs/dbraw/zinc/05/70/64/957057064.db2.gz OHTHJSKDSYEOJK-UHFFFAOYSA-N -1 0 331.378 3.528 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCc1cc(-c2ccccc2)no1 ZINC000013420612 957064180 /nfs/dbraw/zinc/06/41/80/957064180.db2.gz HKQFJLWJBQWZNA-UHFFFAOYSA-N -1 0 325.320 3.627 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H]1C1CC1 ZINC000925894381 957132953 /nfs/dbraw/zinc/13/29/53/957132953.db2.gz YEWIKBOETNBNHN-WDEREUQCSA-N -1 0 343.210 3.568 20 0 EHADRM CCN(CC(=O)Nc1sc(C)c(C)c1C(=O)[O-])c1ccccc1 ZINC000020342006 957138225 /nfs/dbraw/zinc/13/82/25/957138225.db2.gz GSGDKJNKFNCTOD-UHFFFAOYSA-N -1 0 332.425 3.528 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2cccc(OC(C)C)c2)C1 ZINC000926133484 957145841 /nfs/dbraw/zinc/14/58/41/957145841.db2.gz MAXLENLLDUQMBO-GOSISDBHSA-N -1 0 334.416 3.583 20 0 EHADRM O=C([O-])C1(C(=O)NCC2(c3ccc(Cl)cc3)CC2)CCCCC1 ZINC001180439463 957248591 /nfs/dbraw/zinc/24/85/91/957248591.db2.gz XXVNUTRFKYDAPQ-UHFFFAOYSA-N -1 0 335.831 3.523 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@@H](C)Sc1ccc(Cl)cc1 ZINC000037589914 957310635 /nfs/dbraw/zinc/31/06/35/957310635.db2.gz XIYSWDFYMJVAPG-GHMZBOCLSA-N -1 0 329.849 3.532 20 0 EHADRM CCn1cc(Cl)cc1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000037641882 957317847 /nfs/dbraw/zinc/31/78/47/957317847.db2.gz MQQJKNDSEAMNLT-UHFFFAOYSA-N -1 0 327.167 3.765 20 0 EHADRM C[C@@H](CNC(=O)C1(C(=O)[O-])CCCCCC1)c1ccc(F)cc1F ZINC001603167462 972265860 /nfs/dbraw/zinc/26/58/60/972265860.db2.gz CTHASQUIOZIQPM-LBPRGKRZSA-N -1 0 339.382 3.610 20 0 EHADRM Cc1ccc(NC(=O)CSc2ccc(F)c(F)c2)c(C(=O)[O-])c1 ZINC000390317250 972274840 /nfs/dbraw/zinc/27/48/40/972274840.db2.gz PJJKOFKQEFQLOW-UHFFFAOYSA-N -1 0 337.347 3.702 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)/C=C/c1cc(Cl)cc(Cl)c1 ZINC000062742208 957605604 /nfs/dbraw/zinc/60/56/04/957605604.db2.gz TWAZIMNBCFCVHJ-ONEGZZNKSA-N -1 0 330.211 3.576 20 0 EHADRM O=C([O-])c1ccc(COc2ccc(Br)cc2)c(F)c1 ZINC000062759679 957610022 /nfs/dbraw/zinc/61/00/22/957610022.db2.gz UJCKBBCUEMSLBU-UHFFFAOYSA-N -1 0 325.133 3.865 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCc2ccccc2Cl)c(F)cc1F ZINC000390302378 972274222 /nfs/dbraw/zinc/27/42/22/972274222.db2.gz LGHMSOWRWHHXJP-UHFFFAOYSA-N -1 0 339.725 3.888 20 0 EHADRM Cc1ccccc1C(=O)Oc1ccc(Br)cc1C(=O)[O-] ZINC000066145295 957643609 /nfs/dbraw/zinc/64/36/09/957643609.db2.gz IXKKVZSAXLZLRF-UHFFFAOYSA-N -1 0 335.153 3.675 20 0 EHADRM O=C([O-])c1ccc(OC(=O)CCc2ccccc2)c(Br)c1 ZINC000066144906 957643868 /nfs/dbraw/zinc/64/38/68/957643868.db2.gz PZXIHXZVHZLOLD-UHFFFAOYSA-N -1 0 349.180 3.686 20 0 EHADRM CCOc1ccc2[nH]c(SCc3ccc(C(=O)[O-])cc3)nc2c1 ZINC000390419115 972283100 /nfs/dbraw/zinc/28/31/00/972283100.db2.gz OCBCOCAODMOPLE-UHFFFAOYSA-N -1 0 328.393 3.952 20 0 EHADRM CSc1ccc(C(=O)N2CCCc3c(C(=O)[O-])cccc32)cc1 ZINC000390444816 972285493 /nfs/dbraw/zinc/28/54/93/972285493.db2.gz XUYNSOHANDQUCY-UHFFFAOYSA-N -1 0 327.405 3.700 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CC[C@H](c2ccccc2)c2ccccc21 ZINC001574756652 957731717 /nfs/dbraw/zinc/73/17/17/957731717.db2.gz BEZAIBJJOAUPDP-BPQIPLTHSA-N -1 0 335.403 3.666 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCc3c(Cl)cc(F)cc3C2)c1 ZINC001594283443 957761580 /nfs/dbraw/zinc/76/15/80/957761580.db2.gz DVMSAWVKIUTCFJ-UHFFFAOYSA-N -1 0 347.773 3.684 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCCc3c(F)c(F)c(F)cc32)c1 ZINC001594284830 957767539 /nfs/dbraw/zinc/76/75/39/957767539.db2.gz PIYIQHARVNPQKH-UHFFFAOYSA-N -1 0 349.308 3.704 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NC[C@@H](C)Oc2ccc(Cl)cc2)c1 ZINC001594285517 957773246 /nfs/dbraw/zinc/77/32/46/957773246.db2.gz GOTKLUHPGKVOQV-GFCCVEGCSA-N -1 0 347.798 3.544 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@H](C)C2CCC(F)(F)CC2)c1 ZINC001594285857 957778940 /nfs/dbraw/zinc/77/89/40/957778940.db2.gz LLSRBDCEJJIAGK-LLVKDONJSA-N -1 0 325.355 3.637 20 0 EHADRM Cc1cc(C)cc(C[C@@H](C)NC(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC001594294710 957867039 /nfs/dbraw/zinc/86/70/39/957867039.db2.gz FNSLJEDZAVPEPM-OAHLLOKOSA-N -1 0 340.423 3.683 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)CCc2c[nH]c3c2cccc3C)C1 ZINC001341857853 958007154 /nfs/dbraw/zinc/00/71/54/958007154.db2.gz JCWGWICRFQNRSB-FQEVSTJZSA-N -1 0 342.439 3.512 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc(F)c1Br ZINC001594315097 958060745 /nfs/dbraw/zinc/06/07/45/958060745.db2.gz XOACYMKDUKBFOI-JTQLQIEISA-N -1 0 346.196 3.582 20 0 EHADRM COc1cc(Cl)c(NC(=O)NCc2cccc(C(=O)[O-])c2)cc1C ZINC001594059080 958074291 /nfs/dbraw/zinc/07/42/91/958074291.db2.gz VXROBMYEEFVPHZ-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM Cc1cc(NC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)cc(C(F)(F)F)c1 ZINC001594317557 958085850 /nfs/dbraw/zinc/08/58/50/958085850.db2.gz IVRDONCERQPTBV-GXFFZTMASA-N -1 0 344.333 3.588 20 0 EHADRM COc1cc(F)c(NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1F ZINC001594061450 958094875 /nfs/dbraw/zinc/09/48/75/958094875.db2.gz YSQHYLHDPJVLIO-UHFFFAOYSA-N -1 0 336.294 3.624 20 0 EHADRM N#C/C(=C/c1ccc(C(=O)[O-])cc1)C(=O)c1ccc(F)c(Cl)c1 ZINC000090988011 958121902 /nfs/dbraw/zinc/12/19/02/958121902.db2.gz KIBJSUIPJCKMIU-QPEQYQDCSA-N -1 0 329.714 3.967 20 0 EHADRM Cc1cc(NC(=O)N[C@@H](CF)c2ccc(F)cc2)ccc1C(=O)[O-] ZINC001594320428 958124428 /nfs/dbraw/zinc/12/44/28/958124428.db2.gz NIOZCBRQIFDNFD-HNNXBMFYSA-N -1 0 334.322 3.665 20 0 EHADRM COc1cc(NC(=O)N(C)CCCC(=O)[O-])c(C2CC2)cc1Cl ZINC001594064301 958125440 /nfs/dbraw/zinc/12/54/40/958125440.db2.gz ZKRIODQPPRCCRT-UHFFFAOYSA-N -1 0 340.807 3.555 20 0 EHADRM CC(C)(NC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1cccs1 ZINC001353155690 958150177 /nfs/dbraw/zinc/15/01/77/958150177.db2.gz LTVYITUJHLJTAB-KGLIPLIRSA-N -1 0 344.436 3.596 20 0 EHADRM Cc1cc(NC(=O)c2snc(Cl)c2Cl)ccc1C(=O)[O-] ZINC001594324986 958156906 /nfs/dbraw/zinc/15/69/06/958156906.db2.gz OKXBSKHJLHARSE-UHFFFAOYSA-N -1 0 331.180 3.709 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(-c3ccccc3)s2)CC[C@H]1C(=O)[O-] ZINC001353922270 958162726 /nfs/dbraw/zinc/16/27/26/958162726.db2.gz MUFDBGNVOCYMIC-TZMCWYRMSA-N -1 0 329.421 3.598 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cc3ccc(F)cc3s2)c1O ZINC000391235086 972325230 /nfs/dbraw/zinc/32/52/30/972325230.db2.gz BZCLNTGWOVBAGB-UHFFFAOYSA-N -1 0 331.324 3.697 20 0 EHADRM Cc1cc2cc(CNC(=O)Nc3ccc(C(=O)[O-])cc3F)ccc2[nH]1 ZINC001594331131 958220463 /nfs/dbraw/zinc/22/04/63/958220463.db2.gz LNAGRWPNHDXDNK-UHFFFAOYSA-N -1 0 341.342 3.635 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cc(F)c(Cl)cc1F ZINC000391332257 972329722 /nfs/dbraw/zinc/32/97/22/972329722.db2.gz UWBSQNWFKGHWBR-UHFFFAOYSA-N -1 0 339.725 3.589 20 0 EHADRM COc1ccc(C(=O)OCc2ccc(C(=O)[O-])cc2)cc1C1CC1 ZINC001594079970 958249201 /nfs/dbraw/zinc/24/92/01/958249201.db2.gz CFZYWJRMNCBQPT-UHFFFAOYSA-N -1 0 326.348 3.628 20 0 EHADRM CCn1nc(C(C)C)cc1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000391401673 972333765 /nfs/dbraw/zinc/33/37/65/972333765.db2.gz AEVZAFRHBYPSLK-UHFFFAOYSA-N -1 0 335.791 3.630 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cc1 ZINC000106795768 958369645 /nfs/dbraw/zinc/36/96/45/958369645.db2.gz IKUOTPYZQSEKMV-SFHVURJKSA-N -1 0 337.419 3.636 20 0 EHADRM COc1ccc(/C=C/c2ncc(C(=O)[O-])s2)cc1Br ZINC000109852454 958380103 /nfs/dbraw/zinc/38/01/03/958380103.db2.gz PFBCVUFAKCBHOV-HWKANZROSA-N -1 0 340.198 3.783 20 0 EHADRM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001594354026 958393857 /nfs/dbraw/zinc/39/38/57/958393857.db2.gz KLFAEYMXFMYCTB-XDNAFOTISA-N -1 0 344.455 3.526 20 0 EHADRM Cc1ccc([C@H]2CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C2(C)C)cc1 ZINC001594354059 958395783 /nfs/dbraw/zinc/39/57/83/958395783.db2.gz LLDKTSYQOSKNSY-IXDOHACOSA-N -1 0 344.455 3.526 20 0 EHADRM Cc1ccc(CCC(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1Cl ZINC001594355605 958414269 /nfs/dbraw/zinc/41/42/69/958414269.db2.gz LYNPBWGZHHEAKG-KRWDZBQOSA-N -1 0 349.789 3.662 20 0 EHADRM Cc1ccc(Cl)cc1OCC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001594366361 958492246 /nfs/dbraw/zinc/49/22/46/958492246.db2.gz JLVXZUIDKHPLOT-UHFFFAOYSA-N -1 0 347.798 3.683 20 0 EHADRM N#Cc1ccc(Br)cc1NCc1ccccc1CC(=O)[O-] ZINC000123009203 958494018 /nfs/dbraw/zinc/49/40/18/958494018.db2.gz LHMLFIMWNMIPEY-UHFFFAOYSA-N -1 0 345.196 3.560 20 0 EHADRM C=COc1ccc(NC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC001588474681 958558004 /nfs/dbraw/zinc/55/80/04/958558004.db2.gz NADQLRNDIJKIHE-IAGOWNOFSA-N -1 0 338.363 3.644 20 0 EHADRM C/C(=C\C(=O)NC[C@H](C(=O)[O-])C(C)C)c1ccccc1C(F)(F)F ZINC001588479730 958579213 /nfs/dbraw/zinc/57/92/13/958579213.db2.gz BYBCVEQXAVHOGZ-YKWSONSWSA-N -1 0 343.345 3.582 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001588480331 958587522 /nfs/dbraw/zinc/58/75/22/958587522.db2.gz IQHLLUPVXBPMAZ-HVEPWOEZSA-N -1 0 335.403 3.609 20 0 EHADRM C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001573362356 958597712 /nfs/dbraw/zinc/59/77/12/958597712.db2.gz AESGBZVSTPSZSG-JTNHKYCSSA-N -1 0 343.345 3.663 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC001588482081 958598536 /nfs/dbraw/zinc/59/85/36/958598536.db2.gz RWLCPPFJPLZANX-RXHHAWBHSA-N -1 0 335.403 3.609 20 0 EHADRM Cc1ccc2nc(C3CC3)cc(C(=O)NC[C@@H](C(=O)[O-])C(C)C)c2c1 ZINC001594382866 958648721 /nfs/dbraw/zinc/64/87/21/958648721.db2.gz KXGXXLMOFLHZGF-MRXNPFEDSA-N -1 0 340.423 3.507 20 0 EHADRM Cc1ccc2nc(NC(=O)c3coc(/C=C/C(=O)[O-])c3)sc2c1 ZINC001594385158 958654269 /nfs/dbraw/zinc/65/42/69/958654269.db2.gz GVFCURHHPFEYDB-HWKANZROSA-N -1 0 328.349 3.548 20 0 EHADRM CC(C)(C(=O)Nc1ccc(O)c(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC001573381406 958664456 /nfs/dbraw/zinc/66/44/56/958664456.db2.gz IBSKQUOBIOIECR-UHFFFAOYSA-N -1 0 333.771 3.660 20 0 EHADRM Cc1ccc2c(c1)CN(C(=O)Nc1cccc(CCC(=O)[O-])c1)CC2 ZINC001594389010 958698253 /nfs/dbraw/zinc/69/82/53/958698253.db2.gz DTJXGCULYCSOOK-UHFFFAOYSA-N -1 0 338.407 3.602 20 0 EHADRM Cc1ccc(OCCC(=O)Nc2ccc(F)cc2C(=O)[O-])cc1C ZINC000391772239 972370058 /nfs/dbraw/zinc/37/00/58/972370058.db2.gz KXKCQYVZPUDGSH-UHFFFAOYSA-N -1 0 331.343 3.548 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cc(Br)ccc2Cl)o1 ZINC000132740531 958799420 /nfs/dbraw/zinc/79/94/20/958799420.db2.gz MIIBIQJPQSDRAP-UHFFFAOYSA-N -1 0 344.548 3.646 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2cnc(CC(C)(C)C)s2)C(=O)[O-])c1 ZINC001594399613 958834639 /nfs/dbraw/zinc/83/46/39/958834639.db2.gz QWLOHFVBGDFAHM-OAHLLOKOSA-N -1 0 346.452 3.596 20 0 EHADRM CCN(CC)c1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000391835852 972381085 /nfs/dbraw/zinc/38/10/85/972381085.db2.gz JZAXKDGANNFBTL-UHFFFAOYSA-N -1 0 330.359 3.622 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2ccn(C)c2-c2ccccc2)C(=O)[O-])c1 ZINC001594400178 958848381 /nfs/dbraw/zinc/84/83/81/958848381.db2.gz ZANQDUFCILMSIM-SFHVURJKSA-N -1 0 348.402 3.556 20 0 EHADRM CC(C)(C)c1csc(CCNC(=O)Nc2ccccc2C(=O)[O-])n1 ZINC001573464159 958933118 /nfs/dbraw/zinc/93/31/18/958933118.db2.gz WASRLZPWORTZQM-UHFFFAOYSA-N -1 0 347.440 3.503 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1csc(C2CC2)n1 ZINC000138373755 958950585 /nfs/dbraw/zinc/95/05/85/958950585.db2.gz ZQCWTWBLPQNWTI-UHFFFAOYSA-N -1 0 346.408 3.758 20 0 EHADRM Cc1cccc2cc(C(=O)Nc3cncc(C(=O)[O-])c3)c(Cl)nc12 ZINC001594413707 958974306 /nfs/dbraw/zinc/97/43/06/958974306.db2.gz WPPXYQGHLXRILR-UHFFFAOYSA-N -1 0 341.754 3.542 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)Nc1cncc(C(=O)[O-])c1)C(C)C ZINC001594416011 959004254 /nfs/dbraw/zinc/00/42/54/959004254.db2.gz WONHMHCRFYSGBO-INIZCTEOSA-N -1 0 327.384 3.607 20 0 EHADRM Cc1ccccc1C[C@H](C)C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001594417764 959023493 /nfs/dbraw/zinc/02/34/93/959023493.db2.gz TZURPPDYBQGJRL-JVPBZIDWSA-N -1 0 337.419 3.603 20 0 EHADRM Cc1ccccc1CN(Cc1c(C(=O)[O-])cnn1C)Cc1ccccc1 ZINC001594418019 959028803 /nfs/dbraw/zinc/02/88/03/959028803.db2.gz JKFIUOMPWHDUSV-UHFFFAOYSA-N -1 0 349.434 3.629 20 0 EHADRM CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)NCCCCCC(=O)[O-] ZINC001573499278 959049041 /nfs/dbraw/zinc/04/90/41/959049041.db2.gz JFTOJTVJDJJWAS-INIZCTEOSA-N -1 0 341.835 3.505 20 0 EHADRM CC(C)C[C@@H](CNC(=O)C1(c2ccccc2Cl)CCC1)C(=O)[O-] ZINC001573509337 959080930 /nfs/dbraw/zinc/08/09/30/959080930.db2.gz CUISTEYHKPEQJJ-ZDUSSCGKSA-N -1 0 337.847 3.625 20 0 EHADRM Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cccc(C(=O)[O-])c1 ZINC000158293611 959086163 /nfs/dbraw/zinc/08/61/63/959086163.db2.gz YBYSJJGRXSUWQC-NTEUORMPSA-N -1 0 340.766 3.892 20 0 EHADRM CC(C)C[C@@H](CNc1ncnc2sc3c(c21)CCCC3)C(=O)[O-] ZINC001573516778 959103763 /nfs/dbraw/zinc/10/37/63/959103763.db2.gz IHGPTNCFKREMPT-NSHDSACASA-N -1 0 333.457 3.729 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)C1(C(=O)[O-])CCSCC1 ZINC001594189566 959160850 /nfs/dbraw/zinc/16/08/50/959160850.db2.gz HJLYDPDYKKKLBI-UHFFFAOYSA-N -1 0 345.873 3.598 20 0 EHADRM CSc1cc(NC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)ccc1Cl ZINC001594190381 959169133 /nfs/dbraw/zinc/16/91/33/959169133.db2.gz YCGJIENATFYSMU-MWLCHTKSSA-N -1 0 342.848 3.636 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)c3ccc(C(=O)[O-])cc3)c2)[nH]c1C ZINC001594443768 959309894 /nfs/dbraw/zinc/30/98/94/959309894.db2.gz SFTYAXWGRGLLSY-UHFFFAOYSA-N -1 0 335.363 3.644 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)Nc1cccc(N2CCCCCC2)c1)C1CC1 ZINC001588586250 959314225 /nfs/dbraw/zinc/31/42/25/959314225.db2.gz LIPBWXKLCWLZLJ-AWEZNQCLSA-N -1 0 345.443 3.536 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)c1cc(Cl)cc(Cl)c1F ZINC001594215059 959318021 /nfs/dbraw/zinc/31/80/21/959318021.db2.gz CGIKRTXPRCTEMR-RDDDGLTNSA-N -1 0 334.174 3.600 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC001573581783 959358770 /nfs/dbraw/zinc/35/87/70/959358770.db2.gz YUXQULVEDGMUIZ-ZDUSSCGKSA-N -1 0 327.380 3.688 20 0 EHADRM Cc1nc(CC(C)C)c(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])s1 ZINC001594451335 959371661 /nfs/dbraw/zinc/37/16/61/959371661.db2.gz SDFXZLXDQDZQCS-LBPRGKRZSA-N -1 0 340.489 3.659 20 0 EHADRM C[C@H](C(=O)[O-])N(c1nc2ccccc2c(-c2ccccc2)n1)C1CC1 ZINC001588596891 959382804 /nfs/dbraw/zinc/38/28/04/959382804.db2.gz KKLZHABXSRQCLV-CYBMUJFWSA-N -1 0 333.391 3.739 20 0 EHADRM Cc1nc(C2CC2)oc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001594452093 959384092 /nfs/dbraw/zinc/38/40/92/959384092.db2.gz XBDHZHNBROBOFP-UHFFFAOYSA-N -1 0 338.722 3.603 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)c1ccc2ccccc2n1 ZINC000392207553 972426515 /nfs/dbraw/zinc/42/65/15/972426515.db2.gz NUIYQKGADHEMIM-UHFFFAOYSA-N -1 0 332.359 3.526 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)c1ccc(CSc2ccccc2)cc1 ZINC000178070580 959424070 /nfs/dbraw/zinc/42/40/70/959424070.db2.gz RAEHYPCBLYKXAK-UHFFFAOYSA-N -1 0 343.448 3.914 20 0 EHADRM CN(Cc1cccc2ccccc21)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000179966346 959435370 /nfs/dbraw/zinc/43/53/70/959435370.db2.gz PPXROZJDOANAQV-CVEARBPZSA-N -1 0 325.408 3.689 20 0 EHADRM O=C([O-])c1coc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1 ZINC000183753061 959445387 /nfs/dbraw/zinc/44/53/87/959445387.db2.gz NOEWVAPJSVWDFO-UHFFFAOYSA-N -1 0 347.330 3.773 20 0 EHADRM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2cc(C(=O)[O-])co2)o1 ZINC000183802802 959452096 /nfs/dbraw/zinc/45/20/96/959452096.db2.gz SVGNOEMTVQBMIX-BXUZGUMPSA-N -1 0 331.368 3.747 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)cc2)cs1 ZINC000183970307 959460828 /nfs/dbraw/zinc/46/08/28/959460828.db2.gz WLGNKPJLRAVLNL-UONOGXRCSA-N -1 0 344.436 3.948 20 0 EHADRM C[C@H](CC1CCCCC1)NC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001594233387 959490275 /nfs/dbraw/zinc/49/02/75/959490275.db2.gz PGCJKRHTWSSLKO-QRWLVFNGSA-N -1 0 346.471 3.687 20 0 EHADRM C[C@@H](CNC(=O)c1cc(Cl)ccc1Sc1ccccc1)C(=O)[O-] ZINC000190970211 959531952 /nfs/dbraw/zinc/53/19/52/959531952.db2.gz BAFLDFWSSSOYRR-NSHDSACASA-N -1 0 349.839 3.942 20 0 EHADRM CC(C)CC1(C(=O)N2C[C@H](C(=O)[O-])Cc3ccccc32)CCCC1 ZINC000392271525 972436686 /nfs/dbraw/zinc/43/66/86/972436686.db2.gz LXKVDWTXHRFBGH-MRXNPFEDSA-N -1 0 329.440 3.883 20 0 EHADRM CC[C@@H](C)n1ncc(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1C1CC1 ZINC000190979794 959532334 /nfs/dbraw/zinc/53/23/34/959532334.db2.gz YNUJMBRGFPVJBE-GFCCVEGCSA-N -1 0 341.411 3.990 20 0 EHADRM CCCCC[C@H](NC(=O)c1ccc(C)cc1Br)C(=O)[O-] ZINC000191086204 959540256 /nfs/dbraw/zinc/54/02/56/959540256.db2.gz RJDOJMKFCYKGBY-ZDUSSCGKSA-N -1 0 342.233 3.521 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2scnc2C(C)(C)C)cc1)C(=O)[O-] ZINC000191404544 959560166 /nfs/dbraw/zinc/56/01/66/959560166.db2.gz RPTOEVWUCXPZDE-NSHDSACASA-N -1 0 346.452 3.956 20 0 EHADRM COc1ccc(Cl)cc1C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000191428496 959566850 /nfs/dbraw/zinc/56/68/50/959566850.db2.gz VEDPUQNFTMXFKD-LLVKDONJSA-N -1 0 347.798 3.864 20 0 EHADRM Cc1ccc(CCC(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)cc1 ZINC000191528798 959577441 /nfs/dbraw/zinc/57/74/41/959577441.db2.gz DXYSLOCBLTYSAK-LJQANCHMSA-N -1 0 339.435 3.520 20 0 EHADRM C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)CC(C)(C)CC(=O)[O-] ZINC000191681623 959589008 /nfs/dbraw/zinc/58/90/08/959589008.db2.gz VKZHMDOFQLOQHS-NSHDSACASA-N -1 0 345.361 3.644 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)[C@@H](C)c1ccccc1)C(=O)[O-] ZINC000192851695 959593388 /nfs/dbraw/zinc/59/33/88/959593388.db2.gz GZMBUTLGVSOGPA-CVEARBPZSA-N -1 0 325.408 3.540 20 0 EHADRM Cc1ccc(Cl)cc1CNC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000192964232 959599775 /nfs/dbraw/zinc/59/97/75/959599775.db2.gz CPDIZGTXXVDHMK-UHFFFAOYSA-N -1 0 331.799 3.596 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)Nc2ccc(Cl)c3ncccc23)CC1 ZINC001573652918 959650864 /nfs/dbraw/zinc/65/08/64/959650864.db2.gz IVMZLDUXRVWHRW-UHFFFAOYSA-N -1 0 347.802 3.607 20 0 EHADRM CC1(C)C(c2cc(NC(=O)c3cccc(C(=O)[O-])c3)n[nH]2)C1(C)C ZINC001573655875 959669417 /nfs/dbraw/zinc/66/94/17/959669417.db2.gz LQYGSUXSEFOALP-UHFFFAOYSA-N -1 0 327.384 3.510 20 0 EHADRM Cc1c2occ(CC(=O)N3C[C@H](C(=O)[O-])CC[C@@H]3C)c2ccc1Cl ZINC001594262426 959708732 /nfs/dbraw/zinc/70/87/32/959708732.db2.gz FQLCDFJZWHJVPL-CMPLNLGQSA-N -1 0 349.814 3.649 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)Nc1ccccc1OC(F)F)C(=O)[O-] ZINC001588650136 959755720 /nfs/dbraw/zinc/75/57/20/959755720.db2.gz AIWWSMFTBIQQOV-NSHDSACASA-N -1 0 344.358 3.689 20 0 EHADRM C[C@@H]1CC[C@@](C)(/C=C/C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C1(C)C ZINC001573712680 959858249 /nfs/dbraw/zinc/85/82/49/959858249.db2.gz UUMBMVFCOLZBBF-RSOGAOMTSA-N -1 0 347.459 3.660 20 0 EHADRM C[C@@H]1CCCN(C(=O)CCc2ccc(-c3ccccc3)o2)[C@H]1C(=O)[O-] ZINC001573725143 959892794 /nfs/dbraw/zinc/89/27/94/959892794.db2.gz BTXVRNUZWFJLBV-AUUYWEPGSA-N -1 0 341.407 3.591 20 0 EHADRM Cc1ccc(Br)c(NC(=O)Cc2ccccc2C(=O)[O-])c1 ZINC000228053073 959983622 /nfs/dbraw/zinc/98/36/22/959983622.db2.gz JTIHRRBMMZLTTI-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000392323304 972471891 /nfs/dbraw/zinc/47/18/91/972471891.db2.gz VTIOWJPKALFBFI-NSHDSACASA-N -1 0 348.296 3.719 20 0 EHADRM O=C([O-])c1coc(C(=O)Nc2ccc(Br)c(Cl)c2)c1 ZINC000232180345 960251934 /nfs/dbraw/zinc/25/19/34/960251934.db2.gz HGHOPUWAXVITDX-UHFFFAOYSA-N -1 0 344.548 3.646 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2sccc2-n2cccc2)c1 ZINC000392536833 972495402 /nfs/dbraw/zinc/49/54/02/972495402.db2.gz HIONLGOIKZHAQL-UHFFFAOYSA-N -1 0 340.404 3.808 20 0 EHADRM CCc1occc1C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000234181487 960344058 /nfs/dbraw/zinc/34/40/58/960344058.db2.gz DXEUYIJJOMEMGX-UHFFFAOYSA-N -1 0 338.157 3.555 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(c1ccc([N+](=O)[O-])cc1C(F)F)C2 ZINC000392544865 972497084 /nfs/dbraw/zinc/49/70/84/972497084.db2.gz MVZNJJDUWVVMTB-UHFFFAOYSA-N -1 0 334.278 3.751 20 0 EHADRM C[C@@H]1CCCN(C(=O)c2cccc(SC(F)(F)F)c2)[C@H]1C(=O)[O-] ZINC001573725489 960399670 /nfs/dbraw/zinc/39/96/70/960399670.db2.gz FSADDXNTTZMDDW-BXKDBHETSA-N -1 0 347.358 3.624 20 0 EHADRM COc1cccc(-c2nc3ccccc3c(N[C@H](C)CC(=O)[O-])n2)c1 ZINC001574227204 960405343 /nfs/dbraw/zinc/40/53/43/960405343.db2.gz STMOFJUSDLENHK-GFCCVEGCSA-N -1 0 337.379 3.581 20 0 EHADRM COc1cccc(N(CC(C)C)C(=O)c2coc(/C=C\C(=O)[O-])c2)c1 ZINC001574231882 960410273 /nfs/dbraw/zinc/41/02/73/960410273.db2.gz JTKNUTBOLSZJDC-FPLPWBNLSA-N -1 0 343.379 3.689 20 0 EHADRM Cc1cc(C(=O)[O-])nc(Oc2cc(C)c(Br)c(C)c2)n1 ZINC000235857874 960519081 /nfs/dbraw/zinc/51/90/81/960519081.db2.gz VQKAPZGEOQDGNH-UHFFFAOYSA-N -1 0 337.173 3.655 20 0 EHADRM CCOc1ccccc1CCC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000392674950 972509014 /nfs/dbraw/zinc/50/90/14/972509014.db2.gz BFXLSEHCTPDDBO-UHFFFAOYSA-N -1 0 349.333 3.633 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)N([C@H](C)C(=O)[O-])C1CC1 ZINC001574257728 960548711 /nfs/dbraw/zinc/54/87/11/960548711.db2.gz VQWYHYJAIUKXIY-MRVPVSSYSA-N -1 0 328.821 3.531 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1ccccc1SCc1ccco1 ZINC001573767523 960625704 /nfs/dbraw/zinc/62/57/04/960625704.db2.gz DIXJBPNEUMKDIE-AWEZNQCLSA-N -1 0 333.409 3.507 20 0 EHADRM O=C([O-])c1ccc(COc2ccc(Br)cc2)cc1F ZINC000236479744 960666118 /nfs/dbraw/zinc/66/61/18/960666118.db2.gz ZDZNLNASFYPASG-UHFFFAOYSA-N -1 0 325.133 3.865 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC001573776285 960685163 /nfs/dbraw/zinc/68/51/63/960685163.db2.gz JRYLYDUFFRJEKH-ZDUSSCGKSA-N -1 0 343.379 3.580 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001574296107 960694702 /nfs/dbraw/zinc/69/47/02/960694702.db2.gz DAVBLCTUXRZXFN-HNNXBMFYSA-N -1 0 345.301 3.575 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)Nc1nc2ccccn2c1C(=O)[O-] ZINC001574297859 960704405 /nfs/dbraw/zinc/70/44/05/960704405.db2.gz KDVDANYACIRHAY-UHFFFAOYSA-N -1 0 349.346 3.648 20 0 EHADRM CC(C)(C)c1ccc(C(=O)Nc2cccc(OCC(=O)[O-])c2)cc1 ZINC000236579261 960710328 /nfs/dbraw/zinc/71/03/28/960710328.db2.gz QBGQASMHVBBASY-UHFFFAOYSA-N -1 0 327.380 3.700 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1cc(Cl)ccc1OC(F)(F)F ZINC000392814815 972527684 /nfs/dbraw/zinc/52/76/84/972527684.db2.gz XPWCPEVSQHOWNM-UHFFFAOYSA-N -1 0 339.697 3.822 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000236663236 960726983 /nfs/dbraw/zinc/72/69/83/960726983.db2.gz AXIVZPHHJQMKLG-GFCCVEGCSA-N -1 0 345.361 3.768 20 0 EHADRM CCCCOc1ccc(NC(=O)c2ccc(C(=O)[O-])cn2)c(C)c1 ZINC000236703457 960735505 /nfs/dbraw/zinc/73/55/05/960735505.db2.gz MADVHXVLDUXSEE-UHFFFAOYSA-N -1 0 328.368 3.519 20 0 EHADRM Cc1sc(C(=O)N[C@@H](C(=O)[O-])C(C)C)cc1-c1ccc(F)cc1 ZINC000236708081 960738242 /nfs/dbraw/zinc/73/82/42/960738242.db2.gz AVXJPBYXPHRNMR-OAHLLOKOSA-N -1 0 335.400 3.702 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)c1ccccc1SCc1cccs1 ZINC000236822306 960764787 /nfs/dbraw/zinc/76/47/87/960764787.db2.gz KRTGVISOEUPDLN-UHFFFAOYSA-N -1 0 349.477 3.977 20 0 EHADRM Cc1cc(C(=O)Nc2sc3c(c2C(=O)[O-])C[C@@H](C)O[C@H]3C)c(C)[nH]1 ZINC001574314796 960773790 /nfs/dbraw/zinc/77/37/90/960773790.db2.gz AKOFDSQIIZYOTH-SCZZXKLOSA-N -1 0 348.424 3.666 20 0 EHADRM CCC(CC)(CNC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000236871386 960783961 /nfs/dbraw/zinc/78/39/61/960783961.db2.gz UEOYVYOREKJGID-ROUUACIJSA-N -1 0 339.435 3.951 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)/C=C/c1ccc2ccc(Cl)cc2n1 ZINC000236921711 960800266 /nfs/dbraw/zinc/80/02/66/960800266.db2.gz ASULDKCLFKHGIZ-BCPZQOPPSA-N -1 0 346.814 3.613 20 0 EHADRM CCSc1ccccc1CC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001262176459 960811971 /nfs/dbraw/zinc/81/19/71/960811971.db2.gz NTPUCXCYVNPYLK-UHFFFAOYSA-N -1 0 347.436 3.599 20 0 EHADRM CCC(CC)[C@@H](NC(=O)NC[C@@H](CC)C(=O)[O-])c1cccs1 ZINC001573799467 960812237 /nfs/dbraw/zinc/81/22/37/960812237.db2.gz KVUMTQSTZVXYPQ-TZMCWYRMSA-N -1 0 326.462 3.635 20 0 EHADRM CCC[C@H](NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000236978242 960820262 /nfs/dbraw/zinc/82/02/62/960820262.db2.gz DSDUVBROVOPGFH-MFKMUULPSA-N -1 0 331.334 3.569 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N[C@@](C)(CC)CC(=O)[O-])o2)cc1 ZINC000236988861 960826200 /nfs/dbraw/zinc/82/62/00/960826200.db2.gz AMNHKEYAAILLOE-IBGZPJMESA-N -1 0 329.396 3.882 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CCCSc1ccc(Cl)cc1 ZINC000236990427 960827737 /nfs/dbraw/zinc/82/77/37/960827737.db2.gz CWFUPLMVOKEDDT-INIZCTEOSA-N -1 0 343.876 3.972 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)/C=C(/C)c1cccc(C(F)(F)F)c1 ZINC000237052209 960854900 /nfs/dbraw/zinc/85/49/00/960854900.db2.gz DVKPZRRFBBLCQR-NXIHDVOMSA-N -1 0 343.345 3.820 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@]1(C)CCCc2ccccc21 ZINC000237050028 960855476 /nfs/dbraw/zinc/85/54/76/960855476.db2.gz PXZRNUZSAIAPTP-OAQYLSRUSA-N -1 0 337.419 3.637 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc(COc2ccccc2)cc1 ZINC000237061905 960860353 /nfs/dbraw/zinc/86/03/53/960860353.db2.gz IQUSXZOEFBBTKB-OAHLLOKOSA-N -1 0 341.407 3.591 20 0 EHADRM CCc1sc(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)cc1C ZINC000237105373 960870267 /nfs/dbraw/zinc/87/02/67/960870267.db2.gz HLGCVILIZHKYEH-UHFFFAOYSA-N -1 0 333.409 3.725 20 0 EHADRM CC[C@@H](OCCNC(=O)c1cc(C)cc(C(=O)[O-])c1)c1ccccc1 ZINC001573812936 960912241 /nfs/dbraw/zinc/91/22/41/960912241.db2.gz IOGAKDZLUDAPNS-GOSISDBHSA-N -1 0 341.407 3.591 20 0 EHADRM Cc1cc(NC(=O)N(C)C2CC(OC(C)(C)C)C2)ccc1C(=O)[O-] ZINC001574338094 960920196 /nfs/dbraw/zinc/92/01/96/960920196.db2.gz ZXZAITMNWZPJNB-UHFFFAOYSA-N -1 0 334.416 3.503 20 0 EHADRM CC(C)c1oc(-c2ccccc2)nc1C(=O)NC1(C(=O)[O-])CCCC1 ZINC001319356132 960942393 /nfs/dbraw/zinc/94/23/93/960942393.db2.gz BNNKDWAJHQDNIK-UHFFFAOYSA-N -1 0 342.395 3.592 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000237522361 960953338 /nfs/dbraw/zinc/95/33/38/960953338.db2.gz BTDCXKIFTBGBEU-XWIASGKRSA-N -1 0 344.238 3.542 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NCc1ccc(Cl)cc1)C(=O)[O-] ZINC000237558466 960959664 /nfs/dbraw/zinc/95/96/64/960959664.db2.gz NPJLFEBANXBPDI-NSHDSACASA-N -1 0 349.839 3.835 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C[C@H](C)c1ccccc1 ZINC000237599352 960969450 /nfs/dbraw/zinc/96/94/50/960969450.db2.gz GCZRWZBRBSWVCH-ZDUSSCGKSA-N -1 0 327.380 3.591 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1Cl ZINC000237597299 960969623 /nfs/dbraw/zinc/96/96/23/960969623.db2.gz TVRFCCDJKDOAMH-QMMMGPOBSA-N -1 0 339.178 3.578 20 0 EHADRM C[C@H](CC(=O)NCCCCCC(=O)[O-])c1ccccc1C(F)(F)F ZINC000237618365 960976169 /nfs/dbraw/zinc/97/61/69/960976169.db2.gz RKTUATPZUCLCGI-GFCCVEGCSA-N -1 0 345.361 3.960 20 0 EHADRM Cc1cc2sc(NC(=O)/C=C\c3ccc(C(=O)[O-])o3)nc2cc1F ZINC001574348448 960977571 /nfs/dbraw/zinc/97/75/71/960977571.db2.gz XULPGGZVLIIYIX-HYXAFXHYSA-N -1 0 346.339 3.687 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1cc2c(s1)CCCC2)c1ccccc1 ZINC000237628276 960979363 /nfs/dbraw/zinc/97/93/63/960979363.db2.gz MRQBUTPDCYIZQN-SJCJKPOMSA-N -1 0 343.448 3.819 20 0 EHADRM Cc1cc(/C=C/C(=O)N2CC[C@H](C(=O)[O-])C2)c(C)n1C1CCCCC1 ZINC000237643236 960984723 /nfs/dbraw/zinc/98/47/23/960984723.db2.gz UTNXMCVAWLZHDF-IJDCCNJMSA-N -1 0 344.455 3.556 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cnc3ccccc3c2C)cc1 ZINC001320763630 960986839 /nfs/dbraw/zinc/98/68/39/960986839.db2.gz MKZSDUSIRMGWFD-LJQANCHMSA-N -1 0 348.402 3.797 20 0 EHADRM CCc1ccc(-c2nc(C(=O)NCCCCCC(=O)[O-])cs2)cc1 ZINC001320768648 960987940 /nfs/dbraw/zinc/98/79/40/960987940.db2.gz QAIHLGZABGABEZ-UHFFFAOYSA-N -1 0 346.452 3.747 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])c(F)c2)cc1 ZINC000237715579 961006673 /nfs/dbraw/zinc/00/66/73/961006673.db2.gz RXVJIVMWVNXQGI-SJLPKXTDSA-N -1 0 341.382 3.784 20 0 EHADRM Cn1c2ccccc2c(Cl)c1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000237725016 961008186 /nfs/dbraw/zinc/00/81/86/961008186.db2.gz JPURBKAIBDUGQX-UHFFFAOYSA-N -1 0 328.755 3.782 20 0 EHADRM Cc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccc(C)cc2)c(C)n1C1CC1 ZINC001322657087 961011114 /nfs/dbraw/zinc/01/11/14/961011114.db2.gz PTUFRMKJJIKENH-GOSISDBHSA-N -1 0 340.423 3.694 20 0 EHADRM Cc1cc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)nc2ccccc12 ZINC000237770417 961020991 /nfs/dbraw/zinc/02/09/91/961020991.db2.gz SQQGKKMPZDYQPF-CQSZACIVSA-N -1 0 340.404 3.551 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1cc2c(s1)CCCC2 ZINC000237771549 961022780 /nfs/dbraw/zinc/02/27/80/961022780.db2.gz VJCFNKDBUXRLCF-UHFFFAOYSA-N -1 0 345.420 3.651 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)cc2c1C ZINC000237857196 961036167 /nfs/dbraw/zinc/03/61/67/961036167.db2.gz IBXOMZZCCWDQNB-CQSZACIVSA-N -1 0 328.412 3.502 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)C1 ZINC000237953457 961052247 /nfs/dbraw/zinc/05/22/47/961052247.db2.gz AQVHKAHBRHSXPG-JTQLQIEISA-N -1 0 347.308 3.562 20 0 EHADRM Cc1c(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cnn1C1CCCC1 ZINC001325291912 961055033 /nfs/dbraw/zinc/05/50/33/961055033.db2.gz XUDWFYFZLJKIDF-LBPRGKRZSA-N -1 0 341.411 3.747 20 0 EHADRM Cc1ccc(CO[C@@H](C)C(=O)Nc2c(C)cccc2C(=O)[O-])cc1 ZINC001574368403 961056378 /nfs/dbraw/zinc/05/63/78/961056378.db2.gz YCMOYBIYELIAGO-AWEZNQCLSA-N -1 0 327.380 3.545 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2ccccc2)CC2CCC2)s1 ZINC000237965734 961056825 /nfs/dbraw/zinc/05/68/25/961056825.db2.gz YGQOEULBTBBXBU-UHFFFAOYSA-N -1 0 329.421 3.889 20 0 EHADRM Cc1ccc(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)c(Br)c1 ZINC001574374520 961082897 /nfs/dbraw/zinc/08/28/97/961082897.db2.gz YKAONKSHINORDC-HNNXBMFYSA-N -1 0 338.201 3.507 20 0 EHADRM CCc1ccc([C@H](NC(=O)CCCC(=O)[O-])c2cccc(F)c2)cc1 ZINC001326392093 961088419 /nfs/dbraw/zinc/08/84/19/961088419.db2.gz UOEUXFLSYMEVNT-FQEVSTJZSA-N -1 0 343.398 3.849 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2csc(-c3ccco3)n2)cc1 ZINC000238059344 961090258 /nfs/dbraw/zinc/09/02/58/961090258.db2.gz DBANXUVEFYMPAB-UHFFFAOYSA-N -1 0 342.376 3.673 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccc3[nH]c(C4CCC4)nc3c2)c1 ZINC000238064276 961091634 /nfs/dbraw/zinc/09/16/34/961091634.db2.gz YEMQAIFLSVYQNB-UHFFFAOYSA-N -1 0 335.363 3.781 20 0 EHADRM CC(C)(C)OC1CCC(NC(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC001588733150 961106720 /nfs/dbraw/zinc/10/67/20/961106720.db2.gz LHJJVDAERZIVMV-UHFFFAOYSA-N -1 0 334.416 3.633 20 0 EHADRM CC(C)(C)O[C@H]1C[C@@H](NC(=O)Nc2ccccc2C(=O)[O-])C12CCC2 ZINC001588733552 961112968 /nfs/dbraw/zinc/11/29/68/961112968.db2.gz VUUSNEPJVPYNSW-CABCVRRESA-N -1 0 346.427 3.633 20 0 EHADRM CCCCOc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2)cc1 ZINC001573849225 961122835 /nfs/dbraw/zinc/12/28/35/961122835.db2.gz SPQJFDYGLCNKHO-GOSISDBHSA-N -1 0 341.407 3.730 20 0 EHADRM CCCN(Cc1c(F)cccc1Cl)C(=O)C1(C(=O)[O-])CC=CC1 ZINC001573856701 961149212 /nfs/dbraw/zinc/14/92/12/961149212.db2.gz ARQOTQHOAQTRRX-UHFFFAOYSA-N -1 0 339.794 3.639 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)CCCc2cccs2)cc1 ZINC000238200792 961154178 /nfs/dbraw/zinc/15/41/78/961154178.db2.gz MZGWLZSKSOCXJZ-UHFFFAOYSA-N -1 0 333.409 3.563 20 0 EHADRM O=C([O-])c1cccc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000238209693 961161309 /nfs/dbraw/zinc/16/13/09/961161309.db2.gz GEOLCGCIZWEHNB-INIZCTEOSA-N -1 0 329.783 3.919 20 0 EHADRM O=C([O-])c1cccc(NC(=O)Cn2ccc3ccc(Cl)cc32)c1 ZINC000238222837 961165785 /nfs/dbraw/zinc/16/57/85/961165785.db2.gz KLOKLYGNJKMEND-UHFFFAOYSA-N -1 0 328.755 3.632 20 0 EHADRM Cc1cccc([C@@H](NC(=O)/C=C\c2ccc(Cl)s2)C(=O)[O-])c1 ZINC001574390535 961172212 /nfs/dbraw/zinc/17/22/12/961172212.db2.gz XYTOLASHFRKHEF-DDJMYBDESA-N -1 0 335.812 3.665 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCN(C(=O)[C@H](C(=O)[O-])C(C)(C)C)C2 ZINC001588741485 961173535 /nfs/dbraw/zinc/17/35/35/961173535.db2.gz HCGZKVQNLQQEBO-MRXNPFEDSA-N -1 0 331.456 3.616 20 0 EHADRM CC(C)c1ncc(Cl)c(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)n1 ZINC000263206390 1125476599 /nfs/dbraw/zinc/47/65/99/1125476599.db2.gz KUZKDRPFJSVNJY-JTQLQIEISA-N -1 0 347.802 3.694 20 0 EHADRM CN(C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)C(C)(C)CC(=O)[O-] ZINC001328493427 961209674 /nfs/dbraw/zinc/20/96/74/961209674.db2.gz HJWRCGUFNPAQIA-STQMWFEESA-N -1 0 344.238 3.809 20 0 EHADRM CN(C(=O)CCCc1csc2ccccc12)C(C)(C)CC(=O)[O-] ZINC001328494731 961209825 /nfs/dbraw/zinc/20/98/25/961209825.db2.gz QBWVPHLIRXNIFL-UHFFFAOYSA-N -1 0 333.453 3.936 20 0 EHADRM Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001574401683 961236011 /nfs/dbraw/zinc/23/60/11/961236011.db2.gz ORFJVZUBDUQWGV-OAGGEKHMSA-N -1 0 332.444 3.587 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)CC1(CSc2ccccc2)CC1 ZINC001588762371 961241087 /nfs/dbraw/zinc/24/10/87/961241087.db2.gz YUJHBLZYSISQHR-UHFFFAOYSA-N -1 0 335.469 3.709 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)C(C)(C)Oc2ccccc2)c1 ZINC001329809564 961312621 /nfs/dbraw/zinc/31/26/21/961312621.db2.gz PZSZZORULUOBNF-CYBMUJFWSA-N -1 0 327.380 3.671 20 0 EHADRM CC(C)(CNC(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1F ZINC001588783395 961315921 /nfs/dbraw/zinc/31/59/21/961315921.db2.gz RABVUHVWWXXZKH-UHFFFAOYSA-N -1 0 330.359 3.623 20 0 EHADRM COc1cc(NC(=O)c2ccc(C(=O)[O-])o2)c(C2CC2)cc1Cl ZINC001329982160 961320480 /nfs/dbraw/zinc/32/04/80/961320480.db2.gz IEEMPGGVTWCOIU-UHFFFAOYSA-N -1 0 335.743 3.770 20 0 EHADRM CC(C)(Cc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001588785629 961342867 /nfs/dbraw/zinc/34/28/67/961342867.db2.gz HGWFHTBKPOPWGP-UHFFFAOYSA-N -1 0 332.787 3.641 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)cc1 ZINC000261853054 961395701 /nfs/dbraw/zinc/39/57/01/961395701.db2.gz JQQNNLRBWXJHTL-CHWSQXEVSA-N -1 0 329.318 3.621 20 0 EHADRM CC(C)(Cc1ccc(Cl)cc1Cl)NC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC000261989180 961405447 /nfs/dbraw/zinc/40/54/47/961405447.db2.gz CRANVDVUTISTSJ-NWDGAFQWSA-N -1 0 344.238 3.542 20 0 EHADRM Cc1noc(-c2ccccc2)c1NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001574436185 961412907 /nfs/dbraw/zinc/41/29/07/961412907.db2.gz HJRYJCXOURVWOJ-NTMALXAHSA-N -1 0 338.319 3.593 20 0 EHADRM CC(C)c1cc(Br)ccc1NC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC000262044163 961413909 /nfs/dbraw/zinc/41/39/09/961413909.db2.gz HWYYCJDCIXHYQZ-WDEREUQCSA-N -1 0 340.217 3.622 20 0 EHADRM Cc1oc(-c2ccccc2)nc1C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001574443862 961435060 /nfs/dbraw/zinc/43/50/60/961435060.db2.gz IVAUPLKPLICOAB-CQSZACIVSA-N -1 0 344.411 3.659 20 0 EHADRM Cc1ccc(C)c(OCCCCC(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)c1 ZINC000262101861 961459161 /nfs/dbraw/zinc/45/91/61/961459161.db2.gz FLZSZBZMISUNBT-MRXNPFEDSA-N -1 0 347.455 3.564 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@@H]2CCC[C@H]2c2ccccc2)cc1C(=O)[O-] ZINC001332134081 961471077 /nfs/dbraw/zinc/47/10/77/961471077.db2.gz ZZBZYWSPRXRVOS-DLBZAZTESA-N -1 0 341.407 3.829 20 0 EHADRM CCCCOc1ccccc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000262186452 961533790 /nfs/dbraw/zinc/53/37/90/961533790.db2.gz MYOUPQBMWAOKPO-UHFFFAOYSA-N -1 0 327.380 3.745 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)Cc2ccccc21 ZINC000262196281 961542308 /nfs/dbraw/zinc/54/23/08/961542308.db2.gz KBLLDIYKDULTKA-YYAJDYIMSA-N -1 0 341.451 3.804 20 0 EHADRM CC(C)[C@H](CNC(=O)CCc1ccccc1C(=O)[O-])c1ccccc1 ZINC000262201619 961547953 /nfs/dbraw/zinc/54/79/53/961547953.db2.gz OROVNGINNFHTFN-IBGZPJMESA-N -1 0 339.435 3.873 20 0 EHADRM Cc1ccc(CN(C(=O)Cc2ccccc2C(=O)[O-])C2CC2)cc1C ZINC000262218094 961563380 /nfs/dbraw/zinc/56/33/80/961563380.db2.gz VBEBOKPPZLNRHQ-UHFFFAOYSA-N -1 0 337.419 3.735 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000262217907 961563630 /nfs/dbraw/zinc/56/36/30/961563630.db2.gz UYSDVRHEOSKLJF-UKMLZYKCSA-N -1 0 343.448 3.738 20 0 EHADRM CN(CCCCc1ccccc1)C(=O)CCc1ccccc1C(=O)[O-] ZINC000262227323 961573827 /nfs/dbraw/zinc/57/38/27/961573827.db2.gz WFBPQNBILCSELQ-UHFFFAOYSA-N -1 0 339.435 3.799 20 0 EHADRM CC[C@@H](NC(=O)[C@H]1CCCC[C@H]1c1nc2ccccc2s1)C(=O)[O-] ZINC001573931263 961574064 /nfs/dbraw/zinc/57/40/64/961574064.db2.gz QNIJBHOLXZPALC-YNEHKIRRSA-N -1 0 346.452 3.550 20 0 EHADRM CC(C)[C@H](CNC(=O)C1(c2ccc(F)cc2)CCCCC1)C(=O)[O-] ZINC001588817431 961600772 /nfs/dbraw/zinc/60/07/72/961600772.db2.gz XQOGYWGMQKXLEL-INIZCTEOSA-N -1 0 335.419 3.501 20 0 EHADRM CC(C)[C@@H](CNC(=O)C1(c2ccc(F)cc2)CCCCC1)C(=O)[O-] ZINC001588817433 961600826 /nfs/dbraw/zinc/60/08/26/961600826.db2.gz XQOGYWGMQKXLEL-MRXNPFEDSA-N -1 0 335.419 3.501 20 0 EHADRM CC(C)[C@H](CNC(=O)NCc1ccc(-c2ccccc2)s1)C(=O)[O-] ZINC001588825566 961669403 /nfs/dbraw/zinc/66/94/03/961669403.db2.gz WXWFFTHVGBKCTL-HNNXBMFYSA-N -1 0 346.452 3.571 20 0 EHADRM CCc1ccc([C@H](C)NC(=O)NCc2ccccc2C(=O)[O-])cc1 ZINC001573956398 961672223 /nfs/dbraw/zinc/67/22/23/961672223.db2.gz GVGYEYJQJVLQIU-ZDUSSCGKSA-N -1 0 326.396 3.508 20 0 EHADRM CC(C)[C@H](CNC(=O)Nc1ccc(Cl)cc1-n1cccc1)C(=O)[O-] ZINC001588827156 961678666 /nfs/dbraw/zinc/67/86/66/961678666.db2.gz LTTNMVNACMKFDF-ZDUSSCGKSA-N -1 0 349.818 3.609 20 0 EHADRM CC(C)(C)Cc1nc2cc(NC(=O)c3cc(C(=O)[O-])co3)ccc2o1 ZINC000262392490 961692223 /nfs/dbraw/zinc/69/22/23/961692223.db2.gz RVIPBFYDNIYUCK-UHFFFAOYSA-N -1 0 342.351 3.960 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(OC2CCCC2)nc1 ZINC000262457288 961732549 /nfs/dbraw/zinc/73/25/49/961732549.db2.gz FKLUQYAURBENNV-UHFFFAOYSA-N -1 0 340.379 3.662 20 0 EHADRM Cc1oc(CN(C)C(=O)C(C)(C)c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000262522490 961759512 /nfs/dbraw/zinc/75/95/12/961759512.db2.gz QXNDICGCFWUVES-UHFFFAOYSA-N -1 0 349.814 3.876 20 0 EHADRM CC(C)[C@H](OC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(F)c(F)c1 ZINC001588835712 961765820 /nfs/dbraw/zinc/76/58/20/961765820.db2.gz LZEMDGMHYZDLGG-XUJVJEKNSA-N -1 0 326.339 3.706 20 0 EHADRM C[C@@H](Cc1ccccc1)n1cccc1C(=O)N(C)C(C)(C)CC(=O)[O-] ZINC001334203127 961782703 /nfs/dbraw/zinc/78/27/03/961782703.db2.gz QSJZICOIEAVMNO-HNNXBMFYSA-N -1 0 342.439 3.617 20 0 EHADRM C[C@@H](NC(=O)c1ccccc1S[C@H](C)C(=O)[O-])c1cccs1 ZINC000262660290 961798765 /nfs/dbraw/zinc/79/87/65/961798765.db2.gz UGKNKOHXOUWWRR-GHMZBOCLSA-N -1 0 335.450 3.804 20 0 EHADRM O=C(/C=C\c1ccc(C(=O)[O-])o1)Nc1nnc(C2CCCCC2)s1 ZINC001574513591 961824883 /nfs/dbraw/zinc/82/48/83/961824883.db2.gz JWJFGYBDMOASJC-CLFYSBASSA-N -1 0 347.396 3.529 20 0 EHADRM CC(C)[C@@H]1N(C(=O)Nc2cccnc2C(=O)[O-])CC12CCCCC2 ZINC001588843126 961836364 /nfs/dbraw/zinc/83/63/64/961836364.db2.gz ZUNYGJFQFFCQKN-HNNXBMFYSA-N -1 0 331.416 3.602 20 0 EHADRM O=C([O-])c1cccnc1NC(=O)/C=C/c1ccsc1C(F)(F)F ZINC001574515091 961841539 /nfs/dbraw/zinc/84/15/39/961841539.db2.gz DHMVOLHKAKAKPC-ONEGZZNKSA-N -1 0 342.298 3.512 20 0 EHADRM CC(C)Oc1cccc([C@@H](C)NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c1 ZINC000262760274 961853040 /nfs/dbraw/zinc/85/30/40/961853040.db2.gz ZMXYLXKYJYTUFZ-RBSFLKMASA-N -1 0 333.428 3.542 20 0 EHADRM C[C@H](CC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-])c1ccc(F)cc1F ZINC000262760731 961855100 /nfs/dbraw/zinc/85/51/00/961855100.db2.gz KLDFSVAPLZXWTB-OMPKRAJASA-N -1 0 339.382 3.608 20 0 EHADRM CCC(C)(C)c1ccc(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC000262780355 961861595 /nfs/dbraw/zinc/86/15/95/961861595.db2.gz IWRYGXVQPVKACX-WKILWMFISA-N -1 0 331.456 3.881 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000262788853 961867337 /nfs/dbraw/zinc/86/73/37/961867337.db2.gz MYXSEHKRJDMMQF-LIRRHRJNSA-N -1 0 329.396 3.813 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CC/C=C\c1ccccc1)c1ccc(F)cc1 ZINC001574524418 961868705 /nfs/dbraw/zinc/86/87/05/961868705.db2.gz NHWLBMKQNDXALL-MSEQUDFZSA-N -1 0 327.355 3.561 20 0 EHADRM CN(CC(=O)[O-])[C@H](c1ccccc1)c1ccccc1Br ZINC001573999172 961875600 /nfs/dbraw/zinc/87/56/00/961875600.db2.gz UXSUKUZSWWBXCG-MRXNPFEDSA-N -1 0 334.213 3.555 20 0 EHADRM CCc1nc(C)c(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)s1 ZINC000262828445 961894681 /nfs/dbraw/zinc/89/46/81/961894681.db2.gz QRAVIVHYWQRBRF-SNVBAGLBSA-N -1 0 332.425 3.529 20 0 EHADRM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C1 ZINC000262827720 961894704 /nfs/dbraw/zinc/89/47/04/961894704.db2.gz QSWACRQFGIFCGJ-AYMQEEERSA-N -1 0 333.403 3.626 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])c1 ZINC000262828425 961894945 /nfs/dbraw/zinc/89/49/45/961894945.db2.gz QPRGHMZIDNHEDS-WBMJQRKESA-N -1 0 341.860 3.825 20 0 EHADRM Cc1oc(CNC(=O)C(C)(C)CCCc2ccccc2)cc1C(=O)[O-] ZINC000262889738 961963573 /nfs/dbraw/zinc/96/35/73/961963573.db2.gz ABFRPDKNJPALQI-UHFFFAOYSA-N -1 0 343.423 3.952 20 0 EHADRM O=C([O-])C1(NC(=O)[C@H]2CCC[C@@H]2Cc2ccccc2)CCCCC1 ZINC001574549694 961970015 /nfs/dbraw/zinc/97/00/15/961970015.db2.gz NMVRGZPAHCFECB-SJORKVTESA-N -1 0 329.440 3.549 20 0 EHADRM CC(C)(CCNC(=O)c1cccc(OCc2cccs2)c1)C(=O)[O-] ZINC000262906520 961985978 /nfs/dbraw/zinc/98/59/78/961985978.db2.gz FCEHKWILQCAKKW-UHFFFAOYSA-N -1 0 347.436 3.558 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)C[C@@H]1CCCc2ccccc21 ZINC000262929130 962012654 /nfs/dbraw/zinc/01/26/54/962012654.db2.gz LCCIJBPPPGIRJQ-AWEZNQCLSA-N -1 0 339.391 3.842 20 0 EHADRM CS[C@@H](C)CC(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000262932274 962016155 /nfs/dbraw/zinc/01/61/55/962016155.db2.gz GAXROKCDGTVDTQ-BLLLJJGKSA-N -1 0 331.437 3.613 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)CC1CC(c2ccccc2)C1 ZINC000262942721 962027062 /nfs/dbraw/zinc/02/70/62/962027062.db2.gz BOSAABRCLGCXDO-ZYKWQNGHSA-N -1 0 349.430 3.781 20 0 EHADRM CC(C)CCO[C@@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001588868156 962040441 /nfs/dbraw/zinc/04/04/41/962040441.db2.gz XFNTZLGIFDYRNX-NSHDSACASA-N -1 0 339.457 3.715 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC001574567218 962042542 /nfs/dbraw/zinc/04/25/42/962042542.db2.gz CYUYOPNFEWMYSV-VSZNYVQBSA-N -1 0 344.455 3.513 20 0 EHADRM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(C(=O)[O-])ccn1 ZINC000262965699 962051447 /nfs/dbraw/zinc/05/14/47/962051447.db2.gz AMTDSNFZABWEMW-AEFFLSMTSA-N -1 0 338.407 3.578 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)s1 ZINC000262967277 962053077 /nfs/dbraw/zinc/05/30/77/962053077.db2.gz SGNWIEZQDZLESK-LLVKDONJSA-N -1 0 347.358 3.641 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001339800790 962071088 /nfs/dbraw/zinc/07/10/88/962071088.db2.gz CHBSDLICRNWYDM-ZWKOTPCHSA-N -1 0 346.471 3.540 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2CC[C@H](CSc3ccccc3)C2)CC1 ZINC000262984604 962074465 /nfs/dbraw/zinc/07/44/65/962074465.db2.gz UPVAPVDTEYMRSO-JYJNAYRXSA-N -1 0 347.480 3.518 20 0 EHADRM COc1ccc2sc(C(=O)N3CC[C@H](C)C[C@H]3C(=O)[O-])c(C)c2c1 ZINC000263006858 962105465 /nfs/dbraw/zinc/10/54/65/962105465.db2.gz MTYFSBKBBVXVMV-HZMBPMFUSA-N -1 0 347.436 3.544 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1c(C)coc1CC(=O)[O-] ZINC000263007082 962105533 /nfs/dbraw/zinc/10/55/33/962105533.db2.gz RUHDERIMRNHWFU-INIZCTEOSA-N -1 0 343.423 3.699 20 0 EHADRM CC(C)COCCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001588875385 962110455 /nfs/dbraw/zinc/11/04/55/962110455.db2.gz GEODWFBCZWGJND-LLVKDONJSA-N -1 0 339.457 3.572 20 0 EHADRM C[C@@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccc2c(c1)CCCC2 ZINC000263015864 962120770 /nfs/dbraw/zinc/12/07/70/962120770.db2.gz ZHWUYQIFRLVWCK-FVQBIDKESA-N -1 0 329.440 3.634 20 0 EHADRM COCc1cc(NC(=O)CC(C)(C)c2ccccc2)cc(C(=O)[O-])c1 ZINC000263025989 962136604 /nfs/dbraw/zinc/13/66/04/962136604.db2.gz BHWMOWBXJVZEQF-UHFFFAOYSA-N -1 0 341.407 3.838 20 0 EHADRM CC(C)C[C@@H](NC(=O)C1(c2cccc(F)c2)CCCCC1)C(=O)[O-] ZINC001588881259 962151787 /nfs/dbraw/zinc/15/17/87/962151787.db2.gz GZSWYIRINUOFTO-MRXNPFEDSA-N -1 0 335.419 3.643 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1)C(=O)[O-] ZINC001588886672 962178497 /nfs/dbraw/zinc/17/84/97/962178497.db2.gz UPBHTTTXDBTAJO-ZWNOBZJWSA-N -1 0 331.334 3.582 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCc2ccsc2[C@@H]1C)CC(=O)[O-] ZINC001588892766 962212159 /nfs/dbraw/zinc/21/21/59/962212159.db2.gz DYXCGJAJTCXTEA-STQMWFEESA-N -1 0 338.473 3.514 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccc(OCC2CC2)cc1)CC(=O)[O-] ZINC001588894145 962218516 /nfs/dbraw/zinc/21/85/16/962218516.db2.gz GACMXVRIOHQEOW-HNNXBMFYSA-N -1 0 348.443 3.734 20 0 EHADRM CC(C)(C)Sc1ccc(NC(=O)N2CC[C@H](C(=O)[O-])C2)cc1F ZINC000263078049 962220945 /nfs/dbraw/zinc/22/09/45/962220945.db2.gz HIKUNCTZCQOYEF-JTQLQIEISA-N -1 0 340.420 3.655 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N[C@H](CC(F)(F)F)C(=O)[O-])cc1 ZINC000263080060 962223214 /nfs/dbraw/zinc/22/32/14/962223214.db2.gz UTQCHLAZCMCCFV-BXUZGUMPSA-N -1 0 345.361 3.825 20 0 EHADRM CCc1cccc(CC(=O)Nc2cccc(CSCC(=O)[O-])c2)c1 ZINC000263095226 962244545 /nfs/dbraw/zinc/24/45/45/962244545.db2.gz IHKYZODGZBLXCQ-UHFFFAOYSA-N -1 0 343.448 3.748 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC001574620891 962245895 /nfs/dbraw/zinc/24/58/95/962245895.db2.gz IAIXCTDUBFNYGZ-ARFHVFGLSA-N -1 0 347.773 3.525 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000263110027 962261284 /nfs/dbraw/zinc/26/12/84/962261284.db2.gz JOGZDVWUOLTXKM-ZDUSSCGKSA-N -1 0 345.826 3.875 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1 ZINC001588905958 962270431 /nfs/dbraw/zinc/27/04/31/962270431.db2.gz BQWILAUVOBZBPN-VKJFTORMSA-N -1 0 331.456 3.700 20 0 EHADRM CC(C)Cc1ccc([C@@H](NC(=O)NC[C@@H](C)C(=O)[O-])C(C)C)cc1 ZINC001588905929 962270498 /nfs/dbraw/zinc/27/04/98/962270498.db2.gz AMBTXTILBRTKDN-PBHICJAKSA-N -1 0 334.460 3.602 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)Nc2cccnc2C(=O)[O-])cc1 ZINC001588906044 962272401 /nfs/dbraw/zinc/27/24/01/962272401.db2.gz GZYQEOLEEQNTLA-ZDUSSCGKSA-N -1 0 326.396 3.721 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])cc1 ZINC001588906035 962272722 /nfs/dbraw/zinc/27/27/22/962272722.db2.gz GOGVOQPVUFKOBR-RLFYNMQTSA-N -1 0 331.456 3.700 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])cc1 ZINC001588906037 962273330 /nfs/dbraw/zinc/27/33/30/962273330.db2.gz GOGVOQPVUFKOBR-VKJFTORMSA-N -1 0 331.456 3.700 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1 ZINC001588906117 962274491 /nfs/dbraw/zinc/27/44/91/962274491.db2.gz KRNCOJWEAHQBHN-MDASCCDHSA-N -1 0 343.467 3.558 20 0 EHADRM O=C([O-])C1(C(=O)N[C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CCC1 ZINC001574626014 962277080 /nfs/dbraw/zinc/27/70/80/962277080.db2.gz FFSRDCQGMVJMTF-ZFWWWQNUSA-N -1 0 335.831 3.737 20 0 EHADRM COCc1cc(NC(=O)[C@@H](C)Cc2ccc(C)cc2)cc(C(=O)[O-])c1 ZINC000263137963 962290604 /nfs/dbraw/zinc/29/06/04/962290604.db2.gz UPYDXELQFFEZEV-AWEZNQCLSA-N -1 0 341.407 3.657 20 0 EHADRM CCc1cccc(CC(=O)N[C@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000263144667 962297509 /nfs/dbraw/zinc/29/75/09/962297509.db2.gz NAFXQCOQQNLPBM-GOSISDBHSA-N -1 0 325.408 3.514 20 0 EHADRM COCc1cc(NC(=O)C[C@H](C)c2ccccc2F)cc(C(=O)[O-])c1 ZINC000263144801 962298102 /nfs/dbraw/zinc/29/81/02/962298102.db2.gz VYORYUKQCHECAG-LBPRGKRZSA-N -1 0 345.370 3.803 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)Cc2ccc(C3CCC3)cc2)C1 ZINC001346310612 962342475 /nfs/dbraw/zinc/34/24/75/962342475.db2.gz FBGWMURWYYWYSY-INIZCTEOSA-N -1 0 329.440 3.600 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)C2(Cc3ccccc3Cl)CC2)cc1 ZINC000263194944 962349614 /nfs/dbraw/zinc/34/96/14/962349614.db2.gz UCBNGDSRPVHXAJ-UHFFFAOYSA-N -1 0 343.810 3.677 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)N(C)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC000263205920 962361014 /nfs/dbraw/zinc/36/10/14/962361014.db2.gz ZDDKJWJYOCVXOA-SHTZXODSSA-N -1 0 333.428 3.575 20 0 EHADRM CC(C)c1ccc(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000263260408 962400913 /nfs/dbraw/zinc/40/09/13/962400913.db2.gz GIMACGSXLAEMNU-FQEVSTJZSA-N -1 0 325.408 3.582 20 0 EHADRM Cc1ccc(OCC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)cc1C ZINC000263292995 962432000 /nfs/dbraw/zinc/43/20/00/962432000.db2.gz MMHAGORGMHZZFP-AWEZNQCLSA-N -1 0 327.380 3.509 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)C[C@H]2OCCc3ccccc32)c1 ZINC000263324359 962468055 /nfs/dbraw/zinc/46/80/55/962468055.db2.gz OGCKAJJNVSHFGO-FZKQIMNGSA-N -1 0 339.391 3.517 20 0 EHADRM CC(C)Oc1c(F)cc(NC(=O)[C@H](C(=O)[O-])C2CCCC2)cc1F ZINC001588935340 962493854 /nfs/dbraw/zinc/49/38/54/962493854.db2.gz WZPSAEJJUVGUEF-CQSZACIVSA-N -1 0 341.354 3.582 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000263343590 962494991 /nfs/dbraw/zinc/49/49/91/962494991.db2.gz YGTKRZWWGXPBTN-ZDUSSCGKSA-N -1 0 332.425 3.605 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)c(C)n1C1CCCCC1 ZINC000263354143 962507943 /nfs/dbraw/zinc/50/79/43/962507943.db2.gz WKQVQGNTNZNLGI-HXUWFJFHSA-N -1 0 346.471 3.937 20 0 EHADRM O=C([O-])C1CCC(NC(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)CC1 ZINC000263392543 962553297 /nfs/dbraw/zinc/55/32/97/962553297.db2.gz QRIVQCPXQFENNI-JYSRZZCRSA-N -1 0 344.455 3.655 20 0 EHADRM CC(C)[C@@H]1C[C@H](NC(=O)NCCC(C)(C)C(=O)[O-])c2ccccc21 ZINC001588953742 962579232 /nfs/dbraw/zinc/57/92/32/962579232.db2.gz AKYQLRYXTWRZQJ-HOTGVXAUSA-N -1 0 332.444 3.671 20 0 EHADRM O=C([O-])CCCNC(=O)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000263412648 962580616 /nfs/dbraw/zinc/58/06/16/962580616.db2.gz VFVQUDFGYKVNIM-GOSISDBHSA-N -1 0 338.407 3.505 20 0 EHADRM CCSc1ccc([C@@H](C)NC(=O)c2c(C)coc2CC(=O)[O-])cc1 ZINC000263427319 962601232 /nfs/dbraw/zinc/60/12/32/962601232.db2.gz MJVYJUFGXZQDOF-GFCCVEGCSA-N -1 0 347.436 3.818 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)NCCC12CC3CC(CC(C3)C1)C2 ZINC000263429052 962604326 /nfs/dbraw/zinc/60/43/26/962604326.db2.gz MXAGTLFFTXNBTQ-UHFFFAOYSA-N -1 0 345.439 3.551 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2ncsc2-c2ccccc2)C1 ZINC000263447829 962631495 /nfs/dbraw/zinc/63/14/95/962631495.db2.gz RMFJATJAIFLJIP-ZDUSSCGKSA-N -1 0 344.436 3.527 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Cc1c[nH]c2cccc(Cl)c12 ZINC001574691500 962632316 /nfs/dbraw/zinc/63/23/16/962632316.db2.gz BOIUEYKXJDIJAV-CYBMUJFWSA-N -1 0 348.830 3.610 20 0 EHADRM O=C([O-])CCc1cccc(NCc2cnc([C@H]3CCCO3)s2)c1 ZINC000263454847 962641505 /nfs/dbraw/zinc/64/15/05/962641505.db2.gz ANUHRFFVJLKTDO-OAHLLOKOSA-N -1 0 332.425 3.624 20 0 EHADRM CC(C)c1ccc(CCNC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC001588966969 962651382 /nfs/dbraw/zinc/65/13/82/962651382.db2.gz QIRYZUBVJYGAEZ-KRWDZBQOSA-N -1 0 346.471 3.639 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)C[C@@H]1C[C@H]1Cc1ccccc1 ZINC001574692539 962653747 /nfs/dbraw/zinc/65/37/47/962653747.db2.gz VVIDUDSECNFLAC-SQNIBIBYSA-N -1 0 329.440 3.501 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)CCC2 ZINC001588969370 962661686 /nfs/dbraw/zinc/66/16/86/962661686.db2.gz ABHTVFGBDCKWGY-SJLPKXTDSA-N -1 0 344.455 3.694 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N3C[C@H](C(=O)[O-])CC[C@@H]3C)[nH]c2c1 ZINC001588969943 962668804 /nfs/dbraw/zinc/66/88/04/962668804.db2.gz WBVSZFXDQYPOJS-SWLSCSKDSA-N -1 0 328.412 3.617 20 0 EHADRM CC(C)C[C@H](CNC(=O)C1(Cc2ccccc2Cl)CC1)C(=O)[O-] ZINC000263483474 962669287 /nfs/dbraw/zinc/66/92/87/962669287.db2.gz BBKSCMFLNTUAMN-CQSZACIVSA-N -1 0 337.847 3.526 20 0 EHADRM Cc1ccc(NCc2cccc(C(=O)[O-])c2)c(OC[C@@H]2CCCO2)c1 ZINC000263510080 962691823 /nfs/dbraw/zinc/69/18/23/962691823.db2.gz YLYMTUCMOXPOJU-KRWDZBQOSA-N -1 0 341.407 3.863 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])cc1Cl ZINC000263523494 962703216 /nfs/dbraw/zinc/70/32/16/962703216.db2.gz IMUKDIURIYNNGJ-LLVKDONJSA-N -1 0 337.725 3.599 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1)c1c(F)cccc1F ZINC000263548657 962723878 /nfs/dbraw/zinc/72/38/78/962723878.db2.gz VJJRGRHSNPMXDZ-NWDGAFQWSA-N -1 0 347.361 3.970 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000263557545 962728784 /nfs/dbraw/zinc/72/87/84/962728784.db2.gz ZNLXQMQKORDYJZ-XHSDSOJGSA-N -1 0 335.831 3.895 20 0 EHADRM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC000263581790 962748420 /nfs/dbraw/zinc/74/84/20/962748420.db2.gz XQIBBHXNCVVCCB-NCXUSEDFSA-N -1 0 343.467 3.981 20 0 EHADRM CON(C(=O)[C@H](C(=O)[O-])C(C)C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001574170308 962767477 /nfs/dbraw/zinc/76/74/77/962767477.db2.gz MTFZNYATPMXDSG-GXFFZTMASA-N -1 0 347.333 3.513 20 0 EHADRM C[C@@H](CC(=O)Nc1cc(C(=O)[O-])ccn1)Cc1ccc(Cl)cc1 ZINC001588994372 962827802 /nfs/dbraw/zinc/82/78/02/962827802.db2.gz QRWFETYNLIULOB-LLVKDONJSA-N -1 0 332.787 3.641 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N[C@@H]1CCCC(C)(C)C1)C(=O)[O-] ZINC001526774146 962911742 /nfs/dbraw/zinc/91/17/42/962911742.db2.gz GSBUKHMAZBDMAP-CHWSQXEVSA-N -1 0 335.469 3.950 20 0 EHADRM COc1ccc(C2CC2)c(NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC001574206271 962911874 /nfs/dbraw/zinc/91/18/74/962911874.db2.gz SOBLJAAPSYDVFY-CYBMUJFWSA-N -1 0 346.427 3.681 20 0 EHADRM COc1ccc(Cl)c(NC(=O)C2(C(=O)[O-])CCCCCC2)c1 ZINC001574212720 962920675 /nfs/dbraw/zinc/92/06/75/962920675.db2.gz NLQFKDZETWERJU-UHFFFAOYSA-N -1 0 325.792 3.712 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000309798812 963374377 /nfs/dbraw/zinc/37/43/77/963374377.db2.gz QWTSKBAFSJLVEI-UHFFFAOYSA-N -1 0 349.386 3.749 20 0 EHADRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)C[C@H]1C=CCC1 ZINC000312296530 963551461 /nfs/dbraw/zinc/55/14/61/963551461.db2.gz MXHCHDZGPYMLLH-JTQLQIEISA-N -1 0 338.201 3.751 20 0 EHADRM O=C([O-])c1cccc(COc2ccc(Br)c(Cl)c2)n1 ZINC000313524034 963659351 /nfs/dbraw/zinc/65/93/51/963659351.db2.gz SPGCRZVXXWLKMD-UHFFFAOYSA-N -1 0 342.576 3.775 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)N(CC(=O)[O-])C1CCCC1 ZINC000314686517 963790674 /nfs/dbraw/zinc/79/06/74/963790674.db2.gz IFDKAGIAQQCJEP-NSHDSACASA-N -1 0 341.860 3.676 20 0 EHADRM CN(Cc1ccc(Cl)s1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000315312003 963878819 /nfs/dbraw/zinc/87/88/19/963878819.db2.gz KEYPNOUXWVAQJP-UHFFFAOYSA-N -1 0 342.779 3.903 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)CSCc1cccc(Cl)c1 ZINC000316799237 964056534 /nfs/dbraw/zinc/05/65/34/964056534.db2.gz LUSNKQXCLCOADI-CYBMUJFWSA-N -1 0 343.876 3.579 20 0 EHADRM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCCCCCC(=O)[O-] ZINC000237529615 967782876 /nfs/dbraw/zinc/78/28/76/967782876.db2.gz OWMZRLFKVJTNQW-LBPRGKRZSA-N -1 0 345.361 3.645 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000262699550 967825932 /nfs/dbraw/zinc/82/59/32/967825932.db2.gz HMLOUJREGQACRT-KGLIPLIRSA-N -1 0 329.421 3.707 20 0 EHADRM O=C([O-])C1CCC(NC(=O)NC[C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000263428107 967890147 /nfs/dbraw/zinc/89/01/47/967890147.db2.gz YHKXLQPACOTJFF-JYSRZZCRSA-N -1 0 344.455 3.513 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)N(C)C[C@H](C)C(=O)[O-])cc2s1 ZINC000263494020 967897229 /nfs/dbraw/zinc/89/72/29/967897229.db2.gz PZWUQNOATNDHIC-JTQLQIEISA-N -1 0 335.429 3.604 20 0 EHADRM Cc1cc(OC(C)C)ccc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000325545437 968038655 /nfs/dbraw/zinc/03/86/55/968038655.db2.gz CINCQFFIEVWTPH-UHFFFAOYSA-N -1 0 327.380 3.662 20 0 EHADRM O=C([O-])c1cc(NC(=O)Cc2ccc(Cl)c(Cl)c2)ccc1O ZINC000386167639 968135026 /nfs/dbraw/zinc/13/50/26/968135026.db2.gz CIQKYEPPJDQIJD-UHFFFAOYSA-N -1 0 340.162 3.578 20 0 EHADRM CC[C@H](NC(=O)Nc1cccc(COC2CCCCC2)c1)C(=O)[O-] ZINC000563753760 968417960 /nfs/dbraw/zinc/41/79/60/968417960.db2.gz ADFDFWHPUGOIPO-INIZCTEOSA-N -1 0 334.416 3.521 20 0 EHADRM O=C([O-])c1ccc(CN2CCO[C@H](c3cccc(Cl)c3)C2)s1 ZINC000573617298 968453638 /nfs/dbraw/zinc/45/36/38/968453638.db2.gz UCVVKTXWHKEMCD-AWEZNQCLSA-N -1 0 337.828 3.673 20 0 EHADRM CC(C)[C@@H](SCc1ccccc1)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000610892155 968508032 /nfs/dbraw/zinc/50/80/32/968508032.db2.gz YCKRJXXRZOVWGJ-SJLPKXTDSA-N -1 0 349.496 3.658 20 0 EHADRM Cc1onc(-c2ccccc2)c1C(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC000652084933 968611571 /nfs/dbraw/zinc/61/15/71/968611571.db2.gz KVTVKNQRKWQNQP-AWEZNQCLSA-N -1 0 344.411 3.517 20 0 EHADRM CC(C)[C@@H](CNC(=O)CCCc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000655563677 968681077 /nfs/dbraw/zinc/68/10/77/968681077.db2.gz AEDGVBZKDPYFEG-CQSZACIVSA-N -1 0 345.361 3.501 20 0 EHADRM CC(C)[C@@H](NC(=O)NCC1(C(=O)[O-])CCC1)c1ccccc1Cl ZINC000659397830 968732103 /nfs/dbraw/zinc/73/21/03/968732103.db2.gz NHYRHSGIIPBSEC-CQSZACIVSA-N -1 0 338.835 3.591 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)[C@@H]2CC23CCCC3)CC1 ZINC000682187943 968870504 /nfs/dbraw/zinc/87/05/04/968870504.db2.gz OXGGFOLGCJDZPS-KRWDZBQOSA-N -1 0 327.424 3.671 20 0 EHADRM CC(C)C[C@H](NC(=O)Nc1cccc(SC(F)F)c1)C(=O)[O-] ZINC000780534390 969171364 /nfs/dbraw/zinc/17/13/64/969171364.db2.gz KEKWUZXRMDTSKK-NSHDSACASA-N -1 0 332.372 3.622 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000817872660 969183899 /nfs/dbraw/zinc/18/38/99/969183899.db2.gz QPZDWTKXYFMGAJ-YURAVVLCSA-N -1 0 345.439 3.589 20 0 EHADRM C/C(=C/C(=O)N1CCC[C@]1(C)C(=O)[O-])c1ccccc1C(F)(F)F ZINC000823338256 969203656 /nfs/dbraw/zinc/20/36/56/969203656.db2.gz IPJCKJLMHQVPMF-BLIJAFNYSA-N -1 0 341.329 3.574 20 0 EHADRM C[C@H]1CCN(C(=O)c2sccc2-c2ccc(F)cc2)C[C@@H]1C(=O)[O-] ZINC000843334515 969238472 /nfs/dbraw/zinc/23/84/72/969238472.db2.gz AFCCMSUQMACSGX-NHYWBVRUSA-N -1 0 347.411 3.737 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)N2CCCCC[C@@H]2c2ccncc2)co1 ZINC000901567412 969440431 /nfs/dbraw/zinc/44/04/31/969440431.db2.gz QRQAVCMNZKOVNL-FUTAKVPZSA-N -1 0 340.379 3.530 20 0 EHADRM Cc1cc(N2CCCC2)ccc1NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC000901718087 969467220 /nfs/dbraw/zinc/46/72/20/969467220.db2.gz ODQONPUDUHHOOL-ALCCZGGFSA-N -1 0 340.379 3.538 20 0 EHADRM COCc1cc(Oc2cc(C(=O)[O-])ccc2F)nc(C(C)(C)C)n1 ZINC001119437667 969670636 /nfs/dbraw/zinc/67/06/36/969670636.db2.gz DAIMHTVPFQLISX-UHFFFAOYSA-N -1 0 334.347 3.550 20 0 EHADRM O=C([O-])CCCCCNC(=O)N1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC001325302325 969701784 /nfs/dbraw/zinc/70/17/84/969701784.db2.gz AGIALWVKUXMWJY-FXAWDEMLSA-N -1 0 344.455 3.742 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1cccc(-c2ccc(F)c(F)c2)c1 ZINC001595180406 970323206 /nfs/dbraw/zinc/32/32/06/970323206.db2.gz FKVQHWNUYCIYDU-ZIAGYGMSSA-N -1 0 331.318 3.681 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Oc2ccc(OCC3CC3)c(Cl)c2)C1 ZINC001606552031 970327168 /nfs/dbraw/zinc/32/71/68/970327168.db2.gz BOOITAGYDNIWSF-NEPJUHHUSA-N -1 0 338.787 3.535 20 0 EHADRM O=C([O-])c1ccc(OCc2cccc(F)c2Cl)c([N+](=O)[O-])c1 ZINC000317201051 970336995 /nfs/dbraw/zinc/33/69/95/970336995.db2.gz YQJHWKDZVRVEBI-UHFFFAOYSA-N -1 0 325.679 3.665 20 0 EHADRM Cc1cc(C(=O)[O-])c(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])s1 ZINC000318329876 970426948 /nfs/dbraw/zinc/42/69/48/970426948.db2.gz WWPPZGRBYSMPJE-UHFFFAOYSA-N -1 0 340.744 3.569 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)c1ccc(Cl)c(F)c1 ZINC000318884888 970485904 /nfs/dbraw/zinc/48/59/04/970485904.db2.gz NEDDZNOASTYMPK-CQSZACIVSA-N -1 0 327.783 3.633 20 0 EHADRM CC(C)(C)[C@@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000318937085 970491102 /nfs/dbraw/zinc/49/11/02/970491102.db2.gz RBTPRPAZZLRNNT-SECBINFHSA-N -1 0 326.780 3.819 20 0 EHADRM C[C@@H]1CCN(C(=O)CCc2ccc(Cl)cc2Cl)[C@H](C(=O)[O-])C1 ZINC000319081112 970502017 /nfs/dbraw/zinc/50/20/17/970502017.db2.gz BPPULMSRNBYAQX-YGRLFVJLSA-N -1 0 344.238 3.638 20 0 EHADRM O=C([O-])c1ccc(F)c(COc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000319344278 970526207 /nfs/dbraw/zinc/52/62/07/970526207.db2.gz PESHEAZIVDCCMD-UHFFFAOYSA-N -1 0 325.679 3.665 20 0 EHADRM O=C([O-])c1cc(OCc2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000319393924 970531839 /nfs/dbraw/zinc/53/18/39/970531839.db2.gz KTDZWWDURFJCFF-UHFFFAOYSA-N -1 0 325.679 3.665 20 0 EHADRM Cc1nc(Cl)c(Cl)cc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000319393273 970532221 /nfs/dbraw/zinc/53/22/21/970532221.db2.gz YJZKZPJBIZRETL-UHFFFAOYSA-N -1 0 343.141 3.786 20 0 EHADRM COc1cccc(CCC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000319541026 970546926 /nfs/dbraw/zinc/54/69/26/970546926.db2.gz MJXISKPLAOLVFH-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM Cc1ccc(CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)cc1 ZINC000320042752 970606007 /nfs/dbraw/zinc/60/60/07/970606007.db2.gz RGTIRDKCVXFJLL-UHFFFAOYSA-N -1 0 329.421 3.815 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)[C@@H](C)Oc2ccccc2F)s1 ZINC000320430381 970663929 /nfs/dbraw/zinc/66/39/29/970663929.db2.gz RLEQAXDJCSOUQS-SECBINFHSA-N -1 0 337.372 3.554 20 0 EHADRM COc1ccc(SCCOc2ccc(/C=C\C(=O)[O-])cc2)cc1 ZINC000320547836 970678021 /nfs/dbraw/zinc/67/80/21/970678021.db2.gz PPXJJGKVRDOOON-WCIBSUBMSA-N -1 0 330.405 3.964 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)COc2ccc(C)c(C)c2)s1 ZINC000320586636 970682057 /nfs/dbraw/zinc/68/20/57/970682057.db2.gz PIIIBEMLSAABLM-UHFFFAOYSA-N -1 0 333.409 3.643 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001600013516 970749185 /nfs/dbraw/zinc/74/91/85/970749185.db2.gz NAEFMRSDCDCOEO-HIFRSBDPSA-N -1 0 348.443 3.685 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N(Cc2ccco2)Cc2ccco2)c1 ZINC001600107522 970759464 /nfs/dbraw/zinc/75/94/64/970759464.db2.gz XHIBLOLNUIHGOG-UHFFFAOYSA-N -1 0 339.347 3.722 20 0 EHADRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)c2occc21 ZINC001605823302 972554551 /nfs/dbraw/zinc/55/45/51/972554551.db2.gz AHTUCDFVQMRAEL-HNNXBMFYSA-N -1 0 343.766 3.512 20 0 EHADRM O=C([O-])c1ccc([N+](=O)[O-])c(OCc2cc(-c3ccccc3)no2)c1 ZINC000393136915 972563826 /nfs/dbraw/zinc/56/38/26/972563826.db2.gz WCOLADSDOSXUMY-UHFFFAOYSA-N -1 0 340.291 3.527 20 0 EHADRM C[C@@H](NC(=O)/C=C\c1cccc(-c2ccc(Cl)cc2)c1)C(=O)[O-] ZINC001604989145 972581070 /nfs/dbraw/zinc/58/10/70/972581070.db2.gz OPZYGINRXFZBFQ-DUWGPSABSA-N -1 0 329.783 3.610 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@H](c2ccc(F)cc2)C2CCC2)ccn1 ZINC001605868303 972629798 /nfs/dbraw/zinc/62/97/98/972629798.db2.gz GZTKHOJHFKMRPT-INIZCTEOSA-N -1 0 343.358 3.582 20 0 EHADRM O=C([O-])c1cncc(NC(=O)NC2(c3ccc(Cl)cc3)CCC2)c1 ZINC001605870742 972636789 /nfs/dbraw/zinc/63/67/89/972636789.db2.gz AUXXWECTUZPXEH-UHFFFAOYSA-N -1 0 345.786 3.634 20 0 EHADRM CC1(C)CC[C@@H](CN2C[C@H](CCC(=O)[O-])Cc3ccccc32)OC1 ZINC001603327228 972674644 /nfs/dbraw/zinc/67/46/44/972674644.db2.gz IXCMLRHZZXYSRR-WBVHZDCISA-N -1 0 331.456 3.735 20 0 EHADRM CC1(C)CCc2c(OC(=O)[C@H](C(=O)[O-])C3CCCC3)cccc2O1 ZINC001603329001 972685860 /nfs/dbraw/zinc/68/58/60/972685860.db2.gz STQDVWVDTAWMMM-INIZCTEOSA-N -1 0 332.396 3.587 20 0 EHADRM Cc1cc(C)c(/C=C/C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc1C ZINC001605146470 972830070 /nfs/dbraw/zinc/83/00/70/972830070.db2.gz NIVATNPEOHYPCE-ZJVMWOEPSA-N -1 0 337.419 3.741 20 0 EHADRM Cc1cc(C)c2cc(NC(=O)[C@H](C(=O)[O-])C3CCCC3)ccc2n1 ZINC001605153101 972843340 /nfs/dbraw/zinc/84/33/40/972843340.db2.gz WBTASTZSVMPIPT-QGZVFWFLSA-N -1 0 326.396 3.681 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2CCC(C(F)(F)F)CC2)cc1 ZINC000396351338 972862240 /nfs/dbraw/zinc/86/22/40/972862240.db2.gz CRQKVYVCNDEUFP-JTQLQIEISA-N -1 0 344.333 3.681 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc(COCC3CC3)c2)CCCCC1 ZINC001605941855 972886430 /nfs/dbraw/zinc/88/64/30/972886430.db2.gz AEFRBRAPFMNTJL-UHFFFAOYSA-N -1 0 331.412 3.587 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)COc2cccc(Cl)c2)cc1 ZINC000396610211 972921396 /nfs/dbraw/zinc/92/13/96/972921396.db2.gz GXTSMAZUMXFBGV-NSHDSACASA-N -1 0 333.771 3.546 20 0 EHADRM Cc1cc(F)ccc1CCNC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000396659489 972931626 /nfs/dbraw/zinc/93/16/26/972931626.db2.gz XULYYUPFYHTGPY-CYBMUJFWSA-N -1 0 344.386 3.686 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)Nc3c(C)cccc3C(=O)[O-])cc2)nn1 ZINC001605231490 972982324 /nfs/dbraw/zinc/98/23/24/972982324.db2.gz MEELNZXNFFIYIT-UHFFFAOYSA-N -1 0 347.374 3.711 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)c(F)c2)cc1C ZINC001605231629 972983354 /nfs/dbraw/zinc/98/33/54/972983354.db2.gz QSUJMOBXSHYEHB-IYBDPMFKSA-N -1 0 341.382 3.703 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCC3(C2)CCCCC3)c2ccccc21 ZINC001605976611 973001320 /nfs/dbraw/zinc/00/13/20/973001320.db2.gz DYDYDYBNAIQIFF-DLBZAZTESA-N -1 0 342.439 3.665 20 0 EHADRM Cc1ccc(C)c([C@@H](C)OC(=O)c2cccc(OCC(=O)[O-])c2)c1 ZINC001605254591 973019109 /nfs/dbraw/zinc/01/91/09/973019109.db2.gz REKFKTODKINCPA-CQSZACIVSA-N -1 0 328.364 3.685 20 0 EHADRM Cc1ccc(C(F)(F)C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC001605256498 973026860 /nfs/dbraw/zinc/02/68/60/973026860.db2.gz ATTMBQJBUWJGKB-JKSUJKDBSA-N -1 0 345.345 3.516 20 0 EHADRM Cc1ccc(Cl)c2ccc(NC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)nc12 ZINC001605277726 973070157 /nfs/dbraw/zinc/07/01/57/973070157.db2.gz NSVJJWGGNJCVLU-WDEREUQCSA-N -1 0 332.787 3.636 20 0 EHADRM C[C@@H]1CCCN(C(=O)CCc2c(Cl)cccc2Cl)[C@H]1C(=O)[O-] ZINC001603407657 973071930 /nfs/dbraw/zinc/07/19/30/973071930.db2.gz NJWOYPSGFAGJOD-MEBBXXQBSA-N -1 0 344.238 3.638 20 0 EHADRM Cc1ccc(F)cc1[C@H](C)OC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001605284646 973083736 /nfs/dbraw/zinc/08/37/36/973083736.db2.gz NIMRULJYZRWIPL-LBPRGKRZSA-N -1 0 332.327 3.516 20 0 EHADRM C[C@H](c1ccc(C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc1)C(F)(F)F ZINC001603425104 973143123 /nfs/dbraw/zinc/14/31/23/973143123.db2.gz DPDWVAOTTXYPPI-JTNHKYCSSA-N -1 0 343.345 3.535 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001605320190 973152287 /nfs/dbraw/zinc/15/22/87/973152287.db2.gz CCTNYTSTAIFQNL-PWSUYJOCSA-N -1 0 345.317 3.522 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc3c(ccc4ccccc34)[nH]2)C[C@H]1C(=O)[O-] ZINC001603426103 973153833 /nfs/dbraw/zinc/15/38/33/973153833.db2.gz ZCFFLBLALDMKJJ-MLGOLLRUSA-N -1 0 336.391 3.504 20 0 EHADRM Cc1cccc(OC(=O)[C@H](C(=O)[O-])C2CCCC2)c1Br ZINC001605345069 973236664 /nfs/dbraw/zinc/23/66/64/973236664.db2.gz RPNVUVHYFBXGTA-LBPRGKRZSA-N -1 0 341.201 3.554 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cc(Cl)cc(Cl)c2F)CC[C@H]1C(=O)[O-] ZINC001603450030 973246134 /nfs/dbraw/zinc/24/61/34/973246134.db2.gz JRIMXCDFTXEHBK-VXNVDRBHSA-N -1 0 349.189 3.707 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)NC[C@H]2CC3CCC2CC3)cc1 ZINC000400161153 973255711 /nfs/dbraw/zinc/25/57/11/973255711.db2.gz YUOCNTJWBVBVTH-UYSNPLJNSA-N -1 0 330.428 3.652 20 0 EHADRM Cc1nc2sc3c(c2c(N([C@@H](C)C(=O)[O-])C2CC2)n1)CCCCC3 ZINC001605408901 973409611 /nfs/dbraw/zinc/40/96/11/973409611.db2.gz QZDXLCDJNFTISH-JTQLQIEISA-N -1 0 345.468 3.711 20 0 EHADRM CCC(C)(C)c1ccc(NC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)cc1 ZINC001603508322 973492077 /nfs/dbraw/zinc/49/20/77/973492077.db2.gz MHGBWBNIUJRZKV-XJKSGUPXSA-N -1 0 333.428 3.583 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])C(F)(F)F ZINC001603511317 973506339 /nfs/dbraw/zinc/50/63/39/973506339.db2.gz UQRXBEFFBKEFLD-HBNTYKKESA-N -1 0 340.386 3.542 20 0 EHADRM CC[C@H](C)N(Cc1ccccc1)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001603512741 973513548 /nfs/dbraw/zinc/51/35/48/973513548.db2.gz OACYZEBNJHMWFQ-ZDUSSCGKSA-N -1 0 327.384 3.612 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)NCCCCc1ccc(Cl)s1 ZINC001603522379 973551597 /nfs/dbraw/zinc/55/15/97/973551597.db2.gz IOXHPCZOKKUTCI-UHFFFAOYSA-N -1 0 331.865 3.731 20 0 EHADRM CC[C@@H](CCc1ccccc1)NC(=O)NCC(CC)(CC)C(=O)[O-] ZINC001603548626 973607826 /nfs/dbraw/zinc/60/78/26/973607826.db2.gz JONCQNBYIHQUOT-INIZCTEOSA-N -1 0 334.460 3.588 20 0 EHADRM CC[C@@H](CNC(=O)N[C@@H](C)c1ccc(SC(C)C)cc1)C(=O)[O-] ZINC001603560388 973668315 /nfs/dbraw/zinc/66/83/15/973668315.db2.gz XXWKOEQSEKCOFS-STQMWFEESA-N -1 0 338.473 3.658 20 0 EHADRM Cn1ccc2ccc(NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc21 ZINC001605511639 973689808 /nfs/dbraw/zinc/68/98/08/973689808.db2.gz PVCYXBHJCAUQDH-AWEZNQCLSA-N -1 0 331.416 3.579 20 0 EHADRM CC[C@H](CNC(=O)c1cccc(C(=O)[O-])c1)Oc1cccc(Cl)c1 ZINC001603567811 973699601 /nfs/dbraw/zinc/69/96/01/973699601.db2.gz IWEOGEMMJVOQHE-OAHLLOKOSA-N -1 0 347.798 3.626 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CCc2ccccc21 ZINC000404798675 973750833 /nfs/dbraw/zinc/75/08/33/973750833.db2.gz UKNLIJSBJDGNNC-LBPRGKRZSA-N -1 0 342.370 3.718 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001603593394 973802822 /nfs/dbraw/zinc/80/28/22/973802822.db2.gz CXDOIUGXMAVEAU-LSDHHAIUSA-N -1 0 335.444 3.548 20 0 EHADRM Cc1cc(Cl)c(NC(=O)NC[C@H](CC2CC2)C(=O)[O-])cc1Cl ZINC000405291876 973816746 /nfs/dbraw/zinc/81/67/46/973816746.db2.gz YKBCMWHMFHSPNC-JTQLQIEISA-N -1 0 345.226 3.924 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)CCc2ccc(Cl)c(F)c2)C1 ZINC001603594308 973819904 /nfs/dbraw/zinc/81/99/04/973819904.db2.gz TYTBMKXYIZNLMU-QGZVFWFLSA-N -1 0 341.810 3.515 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Cc2coc3c2ccc(C)c3C)C1 ZINC001603601004 973847398 /nfs/dbraw/zinc/84/73/98/973847398.db2.gz PREFIPPHVINSQI-HXUWFJFHSA-N -1 0 343.423 3.696 20 0 EHADRM COc1cc(Cl)c(NC(=O)c2coc(/C=C\C(=O)[O-])c2)cc1C ZINC001604716008 973916098 /nfs/dbraw/zinc/91/60/98/973916098.db2.gz MDLNSBNSXXIZNE-ARJAWSKDSA-N -1 0 335.743 3.600 20 0 EHADRM O=C([O-])CCCCCNC(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000414642666 973945255 /nfs/dbraw/zinc/94/52/55/973945255.db2.gz MKCAZHJGYCWUII-CTYIDZIISA-N -1 0 338.835 3.530 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC001604765374 973988431 /nfs/dbraw/zinc/98/84/31/973988431.db2.gz WWFDCCJAVUMUDX-STQMWFEESA-N -1 0 348.443 3.710 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC001604765354 973988546 /nfs/dbraw/zinc/98/85/46/973988546.db2.gz WWFDCCJAVUMUDX-CHWSQXEVSA-N -1 0 348.443 3.710 20 0 EHADRM O=C([O-])c1ccccc1C[NH2+]Cc1ccccc1OCc1cccnc1 ZINC001606522736 974023089 /nfs/dbraw/zinc/02/30/89/974023089.db2.gz JAOKEHGCUVMCGH-UHFFFAOYSA-N -1 0 348.402 3.649 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccc(-c2ccco2)cc1F)C(=O)[O-] ZINC000424386483 974025119 /nfs/dbraw/zinc/02/51/19/974025119.db2.gz HMOCKGDSYQQSDZ-CYBMUJFWSA-N -1 0 348.374 3.954 20 0 EHADRM C[C@@H](NC(=O)NCCC(C)(C)C(=O)[O-])c1cccc(Cl)c1Cl ZINC000424404205 974029307 /nfs/dbraw/zinc/02/93/07/974029307.db2.gz GGPKYSRLCYWIMM-SECBINFHSA-N -1 0 347.242 3.855 20 0 EHADRM O=C([O-])[C@@H](NCc1ncc(-c2ccccc2)s1)c1cccs1 ZINC000426795428 974046953 /nfs/dbraw/zinc/04/69/53/974046953.db2.gz XVJNCCSVTFPTOY-HNNXBMFYSA-N -1 0 330.434 3.787 20 0 EHADRM COc1ccc(NC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)cc1OC(C)C ZINC001604809781 974047219 /nfs/dbraw/zinc/04/72/19/974047219.db2.gz PWGDGRQUAPBVAR-UHFFFAOYSA-N -1 0 349.427 3.558 20 0 EHADRM CCCN(Cc1ccc(F)cc1F)C(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001603672522 974050049 /nfs/dbraw/zinc/05/00/49/974050049.db2.gz IWWBWZQCXKFTSZ-MRXNPFEDSA-N -1 0 339.382 3.594 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)c2cc(C)cc(Cl)c2)C(=O)[O-])cc1 ZINC000431530189 974067755 /nfs/dbraw/zinc/06/77/55/974067755.db2.gz GJFZQSAXSDZLCW-MRXNPFEDSA-N -1 0 331.799 3.555 20 0 EHADRM CCCc1ccc([C@H](NC(=O)N(C)C[C@H](C)C(=O)[O-])C(C)C)cc1 ZINC001603691767 974079287 /nfs/dbraw/zinc/07/92/87/974079287.db2.gz HKUWXAUGGFSNMN-WMLDXEAASA-N -1 0 334.460 3.698 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)COc2cccc(Cl)c2)cc1)C(=O)[O-] ZINC000431993405 974082126 /nfs/dbraw/zinc/08/21/26/974082126.db2.gz IILPPKHPTQJUNT-LBPRGKRZSA-N -1 0 347.798 3.621 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccc(F)cc1F ZINC000431992734 974082130 /nfs/dbraw/zinc/08/21/30/974082130.db2.gz PUSKRWIDRKQMEG-LLVKDONJSA-N -1 0 349.333 3.561 20 0 EHADRM CCCC[C@@H](NC(=O)C1(c2ccc(F)cc2F)CCCC1)C(=O)[O-] ZINC000431997777 974082672 /nfs/dbraw/zinc/08/26/72/974082672.db2.gz CBYPPGNLNUYAML-OAHLLOKOSA-N -1 0 339.382 3.536 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)s1 ZINC000432096392 974085689 /nfs/dbraw/zinc/08/56/89/974085689.db2.gz FMGREUUYEOMULY-UHFFFAOYSA-N -1 0 347.726 3.953 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)CCCc1ccc2c(c1)CCCC2 ZINC001605676109 974086757 /nfs/dbraw/zinc/08/67/57/974086757.db2.gz PEGLLVFWSDNVCJ-UHFFFAOYSA-N -1 0 338.407 3.620 20 0 EHADRM CC[C@@H](NC(=O)c1s[n-]c(=O)c1Cl)c1cc(F)ccc1F ZINC000339287929 1014165754 /nfs/dbraw/zinc/16/57/54/1014165754.db2.gz SYGZRIOOQPSTQR-SECBINFHSA-N -1 0 332.759 3.661 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)Cc1ccccc1C(=O)[O-] ZINC000439694744 974106560 /nfs/dbraw/zinc/10/65/60/974106560.db2.gz CXUWEFGJNOOZJJ-ZDUSSCGKSA-N -1 0 337.375 3.859 20 0 EHADRM COc1cc(C(=O)[O-])ccc1CCNC(=O)c1sccc1C(C)C ZINC000448995942 974135681 /nfs/dbraw/zinc/13/56/81/974135681.db2.gz QXTLAZFSVLAVFI-UHFFFAOYSA-N -1 0 347.436 3.551 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CCCC2(C1)CCCCCC2 ZINC000455848040 974152894 /nfs/dbraw/zinc/15/28/94/974152894.db2.gz PFZANSKESHDZKN-UHFFFAOYSA-N -1 0 333.428 3.792 20 0 EHADRM Cc1ccccc1C(C)(C)CNC(=O)c1ccc(C(=O)[O-])cc1F ZINC000478858679 974212916 /nfs/dbraw/zinc/21/29/16/974212916.db2.gz QYOILFYASAYEKU-UHFFFAOYSA-N -1 0 329.371 3.540 20 0 EHADRM CCOC(=O)Nc1ccc(C(=O)Nc2c(C)cccc2C(=O)[O-])cc1 ZINC001603806597 974278837 /nfs/dbraw/zinc/27/88/37/974278837.db2.gz QVILCZZQCSLZGS-UHFFFAOYSA-N -1 0 342.351 3.514 20 0 EHADRM COc1cc(CNC(=O)CC/C=C\c2ccccc2)ccc1C(=O)[O-] ZINC000512330995 974287537 /nfs/dbraw/zinc/28/75/37/974287537.db2.gz MDXWAWUAWRJJFY-UITAMQMPSA-N -1 0 339.391 3.503 20 0 EHADRM CCc1ccc([C@@H]2CN([C@@H](C(=O)[O-])c3ccc(F)cc3)CCO2)cc1 ZINC000519642652 974331422 /nfs/dbraw/zinc/33/14/22/974331422.db2.gz KSSUJVUEWPXNHY-RBUKOAKNSA-N -1 0 343.398 3.587 20 0 EHADRM CCOc1c(Cl)cccc1NC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC001603849903 974352790 /nfs/dbraw/zinc/35/27/90/974352790.db2.gz KCYTUTJDGSPVQD-LLVKDONJSA-N -1 0 342.823 3.607 20 0 EHADRM O=C([O-])c1cnc(CN2CCCC[C@H]2c2cccc(Cl)c2)cn1 ZINC000530164415 974359101 /nfs/dbraw/zinc/35/91/01/974359101.db2.gz WJOPYLPAHGUGCF-INIZCTEOSA-N -1 0 331.803 3.555 20 0 EHADRM CCOc1ccc(C[C@@H](C)C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001603861157 974364795 /nfs/dbraw/zinc/36/47/95/974364795.db2.gz PBBMKKDOZLHAEG-RHSMWYFYSA-N -1 0 349.471 3.660 20 0 EHADRM Cc1nc(CNC2(C(=O)[O-])CCCC2)oc1-c1ccc(Cl)cc1 ZINC000532712836 974377546 /nfs/dbraw/zinc/37/75/46/974377546.db2.gz WZKHMEOFJHZTFW-UHFFFAOYSA-N -1 0 334.803 3.790 20 0 EHADRM COc1ccc(SCCC(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000537402527 974382893 /nfs/dbraw/zinc/38/28/93/974382893.db2.gz KXOQGHIXRHXTHQ-UHFFFAOYSA-N -1 0 349.383 3.653 20 0 EHADRM C[C@@H]1CCN(C(=O)CCc2ccccc2C(=O)[O-])[C@H]2CCCC[C@H]12 ZINC000537475714 974385489 /nfs/dbraw/zinc/38/54/89/974385489.db2.gz PLIQNXVFVKNWOP-KYJSFNMBSA-N -1 0 329.440 3.745 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@H](C)Sc1ccccc1Cl ZINC000539612899 974397650 /nfs/dbraw/zinc/39/76/50/974397650.db2.gz GSLJHUFWPVVTRM-NSHDSACASA-N -1 0 343.876 3.970 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000539676025 974398285 /nfs/dbraw/zinc/39/82/85/974398285.db2.gz BXTLTOPAQJFDLE-OAHLLOKOSA-N -1 0 347.455 3.730 20 0 EHADRM CC(C)C[C@H](NC(=O)c1cccc(OCC(=O)[O-])c1)c1cccs1 ZINC000540672779 974404252 /nfs/dbraw/zinc/40/42/52/974404252.db2.gz KRNFVJDBVJAWOI-HNNXBMFYSA-N -1 0 347.436 3.729 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1cccnc1-c1csc(C)c1)C(=O)[O-] ZINC001603927440 974421710 /nfs/dbraw/zinc/42/17/10/974421710.db2.gz ZTHBZOFGOGJSPD-HZMBPMFUSA-N -1 0 347.440 3.739 20 0 EHADRM C[C@@H](CC(=O)NC1(CC(=O)[O-])CCCCC1)c1ccc(F)cc1F ZINC000562394031 974506742 /nfs/dbraw/zinc/50/67/42/974506742.db2.gz CGVITJGRVYTREY-LBPRGKRZSA-N -1 0 339.382 3.752 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@H]2CCc3cc(F)ccc32)cc1 ZINC000563452115 974534068 /nfs/dbraw/zinc/53/40/68/974534068.db2.gz ZNFWVLJACKEQRB-GTNSWQLSSA-N -1 0 327.355 3.682 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)NC(C)(c1ccccc1)c1ccccc1 ZINC000563728520 974538267 /nfs/dbraw/zinc/53/82/67/974538267.db2.gz DGWIYYQOIGFNTJ-OAHLLOKOSA-N -1 0 325.408 3.567 20 0 EHADRM C[C@H](NC(=O)CCc1ccccc1C(=O)[O-])[C@@H]1CC2CCC1CC2 ZINC000565088162 974567073 /nfs/dbraw/zinc/56/70/73/974567073.db2.gz GGUGDTRWWZWNGE-UESGHJTASA-N -1 0 329.440 3.648 20 0 EHADRM O=C([O-])C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Br)c1 ZINC000565103106 974569070 /nfs/dbraw/zinc/56/90/70/974569070.db2.gz JAODXNYLJASLKP-LBPRGKRZSA-N -1 0 332.625 3.542 20 0 EHADRM CCCC[C@@H](Sc1ccc2nnc(-c3ccsc3)n2n1)C(=O)[O-] ZINC000565233618 974575621 /nfs/dbraw/zinc/57/56/21/974575621.db2.gz NBFKPWMNDODRGE-LLVKDONJSA-N -1 0 348.453 3.588 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)C1CCC(c2ccccc2)CC1)CC1CC1 ZINC000565838728 974590102 /nfs/dbraw/zinc/59/01/02/974590102.db2.gz RGHYPIDPXOEHOT-DAWZGUTISA-N -1 0 329.440 3.578 20 0 EHADRM COc1ccccc1-c1cccc(NC(=O)C[C@H](C)CC(=O)[O-])c1 ZINC000566483088 974612668 /nfs/dbraw/zinc/61/26/68/974612668.db2.gz KFQQQQLMPUIXFL-ZDUSSCGKSA-N -1 0 327.380 3.802 20 0 EHADRM CCC[C@@H]1CCC[C@H]1C(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC000566984353 974625615 /nfs/dbraw/zinc/62/56/15/974625615.db2.gz HSXXELCVBDMEKX-YSVLISHTSA-N -1 0 333.428 3.544 20 0 EHADRM C[C@H]1CCN(Cc2csc(CCc3ccccc3)n2)[C@@H](C(=O)[O-])C1 ZINC000567117760 974628724 /nfs/dbraw/zinc/62/87/24/974628724.db2.gz SKHBLRWMXSUFID-WMLDXEAASA-N -1 0 344.480 3.613 20 0 EHADRM COCc1cc(NC(=O)c2cc3cc(C)ccc3[nH]2)cc(C(=O)[O-])c1 ZINC000568583184 974674233 /nfs/dbraw/zinc/67/42/33/974674233.db2.gz UUYDZNVKANAJJI-UHFFFAOYSA-N -1 0 338.363 3.573 20 0 EHADRM Cc1nc(CN2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)nc2ccccc12 ZINC000568902633 974680809 /nfs/dbraw/zinc/68/08/09/974680809.db2.gz RKCFGBGMAJATMJ-OALUTQOASA-N -1 0 347.418 3.729 20 0 EHADRM Cc1ccc(CC(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1C ZINC000570505726 974713226 /nfs/dbraw/zinc/71/32/26/974713226.db2.gz NAHJSWOWRBYWII-HNNXBMFYSA-N -1 0 325.408 3.748 20 0 EHADRM Cc1ccc(Nc2nc(C[N@@H+]3CCC[C@@H]3CC(=O)[O-])cs2)cc1 ZINC000572049747 974741049 /nfs/dbraw/zinc/74/10/49/974741049.db2.gz XGVKZUARLWMKSU-OAHLLOKOSA-N -1 0 331.441 3.634 20 0 EHADRM Cc1c(NCC(C)(C)C)cccc1C(=O)NCCC(C)(C)C(=O)[O-] ZINC000572284919 974744431 /nfs/dbraw/zinc/74/44/31/974744431.db2.gz LKUFSGSCIJDWKT-UHFFFAOYSA-N -1 0 334.460 3.684 20 0 EHADRM C[C@H](c1ccc(C(=O)[O-])o1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000573221560 974762222 /nfs/dbraw/zinc/76/22/22/974762222.db2.gz IDALUKNEOGXYLS-BDJLRTHQSA-N -1 0 335.787 3.766 20 0 EHADRM O=C([O-])[C@@H](c1cccnc1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000574332981 974780582 /nfs/dbraw/zinc/78/05/82/974780582.db2.gz YYVFHIPWRWDWFD-GOEBONIOSA-N -1 0 339.420 3.654 20 0 EHADRM O=C([O-])c1ccc(CN2CCC[C@H]2c2nc3ccccc3s2)nc1 ZINC000574884027 974790147 /nfs/dbraw/zinc/79/01/47/974790147.db2.gz LDZRZSWBZNTIHN-HNNXBMFYSA-N -1 0 339.420 3.727 20 0 EHADRM C[C@H](NCc1ccc(OC(F)(F)F)cc1)c1ncc(C(=O)[O-])s1 ZINC000575749755 974800654 /nfs/dbraw/zinc/80/06/54/974800654.db2.gz XREOLEFJMMPECK-QMMMGPOBSA-N -1 0 346.330 3.591 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(NC[C@H](C)c3nccs3)c12 ZINC000576043552 974807311 /nfs/dbraw/zinc/80/73/11/974807311.db2.gz PWURSLSPLMAWJH-ZETCQYMHSA-N -1 0 348.453 3.678 20 0 EHADRM Cc1ccc(C[C@@H]2CCCN(C(=O)c3cccc(C(=O)[O-])c3)C2)cc1 ZINC000576416459 974814358 /nfs/dbraw/zinc/81/43/58/974814358.db2.gz DBDKYKVEUGZJMA-KRWDZBQOSA-N -1 0 337.419 3.788 20 0 EHADRM Cc1cnc(CCN(C)[C@@H](C(=O)[O-])c2c(F)cccc2Cl)s1 ZINC000579967625 974886402 /nfs/dbraw/zinc/88/64/02/974886402.db2.gz RYDVAPFSUHCVPB-CQSZACIVSA-N -1 0 342.823 3.544 20 0 EHADRM Cc1ccccc1C1(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)CCC1 ZINC000580466834 974894732 /nfs/dbraw/zinc/89/47/32/974894732.db2.gz OJYWNMVPHBEHOE-UHFFFAOYSA-N -1 0 337.419 3.774 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)N2CCC[C@](C)(C(=O)[O-])C2)cc1 ZINC000584040567 974949836 /nfs/dbraw/zinc/94/98/36/974949836.db2.gz PXRBRUGIAHQUKW-MNBNYPOFSA-N -1 0 329.440 3.927 20 0 EHADRM COc1cc(Oc2ccccc2)ccc1NC(=O)C[C@@H](C)CC(=O)[O-] ZINC000584183067 974951142 /nfs/dbraw/zinc/95/11/42/974951142.db2.gz UIODYIJLKLRETP-CYBMUJFWSA-N -1 0 343.379 3.927 20 0 EHADRM Cc1cc(CN(C)[C@H](C(=O)[O-])c2cccc(Cl)c2Cl)no1 ZINC000584844488 974959871 /nfs/dbraw/zinc/95/98/71/974959871.db2.gz ACOHOUPOSPFAAZ-ZDUSSCGKSA-N -1 0 329.183 3.548 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)c3ccc(C(=O)[O-])cc3)cc2)oc1C ZINC000621505360 975027285 /nfs/dbraw/zinc/02/72/85/975027285.db2.gz VFHFAPWPGMXUQO-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM O=C([O-])[C@H]1CCCCCN1C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000621566633 975033941 /nfs/dbraw/zinc/03/39/41/975033941.db2.gz WUTXFXPLXKNURW-CQSZACIVSA-N -1 0 331.343 3.555 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)Cc1cccc(Cl)c1 ZINC000621587734 975045453 /nfs/dbraw/zinc/04/54/53/975045453.db2.gz IPPDTFKCKDTFKL-IRXDYDNUSA-N -1 0 343.810 3.699 20 0 EHADRM CCCc1cc(C(=O)N[C@@H](C)c2ncc(C(=O)[O-])s2)sc1C ZINC000621608427 975057167 /nfs/dbraw/zinc/05/71/67/975057167.db2.gz RBLCPUWQLKKILG-QMMMGPOBSA-N -1 0 338.454 3.655 20 0 EHADRM C[C@H](NC(=O)c1ccc(OC(C)(C)C)cc1)c1ncc(C(=O)[O-])s1 ZINC000621610290 975058275 /nfs/dbraw/zinc/05/82/75/975058275.db2.gz FPJVNKKIFVRDCG-JTQLQIEISA-N -1 0 348.424 3.510 20 0 EHADRM C[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1cccc2ccccc21 ZINC000626744777 975067826 /nfs/dbraw/zinc/06/78/26/975067826.db2.gz NLKLKENTWRZIQZ-OFQRWUPVSA-N -1 0 340.423 3.653 20 0 EHADRM O=C([O-])c1ccccc1-c1ccccc1C(=O)N[C@@H]1C[C@H]1C1CCC1 ZINC000579702988 1014234181 /nfs/dbraw/zinc/23/41/81/1014234181.db2.gz IDXSJDPDGPCEOH-RBUKOAKNSA-N -1 0 335.403 3.970 20 0 EHADRM Cc1sc(N2CCc3cc(C(F)(F)F)ccc3C2)nc1C(=O)[O-] ZINC000629383663 975093048 /nfs/dbraw/zinc/09/30/48/975093048.db2.gz RQUAUJRODLISLO-UHFFFAOYSA-N -1 0 342.342 3.731 20 0 EHADRM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cncc(C(=O)[O-])c1 ZINC000630113818 975107011 /nfs/dbraw/zinc/10/70/11/975107011.db2.gz VJNFZQJUYRWTBU-ZWKOTPCHSA-N -1 0 338.407 3.578 20 0 EHADRM Cc1cc(C(=O)N2CCCC[C@H]2Cc2ccccc2)oc1C(=O)[O-] ZINC000630115103 975107652 /nfs/dbraw/zinc/10/76/52/975107652.db2.gz CDLKXNDVQCLQQP-HNNXBMFYSA-N -1 0 327.380 3.524 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1ccc(C(F)F)o1)C(=O)[O-] ZINC000630122163 975110873 /nfs/dbraw/zinc/11/08/73/975110873.db2.gz ILICEEWWZBHCCH-NSHDSACASA-N -1 0 337.322 3.580 20 0 EHADRM Cc1ccccc1C[C@H](C)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000630127208 975113021 /nfs/dbraw/zinc/11/30/21/975113021.db2.gz PXKGVODLMPWGQS-LPHOPBHVSA-N -1 0 339.435 3.896 20 0 EHADRM Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(OCC(=O)[O-])cc2C)c1 ZINC000630135886 975120740 /nfs/dbraw/zinc/12/07/40/975120740.db2.gz UPMLTORUSBVPOI-DLBZAZTESA-N -1 0 339.391 3.509 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccsc2)cc1 ZINC000630143989 975127663 /nfs/dbraw/zinc/12/76/63/975127663.db2.gz VRVRYUHHNRDUNP-LSDHHAIUSA-N -1 0 329.421 3.853 20 0 EHADRM Cc1oc(-c2ccccc2)cc1C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000630156127 975133590 /nfs/dbraw/zinc/13/35/90/975133590.db2.gz LGJGGHNBUTYLCQ-UHFFFAOYSA-N -1 0 341.407 3.972 20 0 EHADRM Cc1ccc(C(=O)N2CCC(CCC(=O)[O-])CC2)cc1C(F)(F)F ZINC000630158355 975134870 /nfs/dbraw/zinc/13/48/70/975134870.db2.gz WCIFXOJTVRDJRS-UHFFFAOYSA-N -1 0 343.345 3.731 20 0 EHADRM Cc1cc(C(=O)N2[C@H](C)Cc3cc(F)ccc3[C@H]2C)oc1C(=O)[O-] ZINC000630165935 975139409 /nfs/dbraw/zinc/13/94/09/975139409.db2.gz ARPFVJFDETWKHU-GHMZBOCLSA-N -1 0 331.343 3.573 20 0 EHADRM Cc1cc(C(=O)NCC(C)(C)c2ccc(Cl)cc2)oc1C(=O)[O-] ZINC000630179777 975145358 /nfs/dbraw/zinc/14/53/58/975145358.db2.gz PYBRORFJELTGRR-UHFFFAOYSA-N -1 0 335.787 3.647 20 0 EHADRM Cc1ccccc1CO[C@H](C)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000630194615 975152475 /nfs/dbraw/zinc/15/24/75/975152475.db2.gz QKDMILZWAZWYFG-HUUCEWRRSA-N -1 0 341.407 3.727 20 0 EHADRM Cc1ccc(CO[C@@H](C)C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cc1 ZINC000630194778 975152621 /nfs/dbraw/zinc/15/26/21/975152621.db2.gz VEKMRCFTUVWORQ-CABCVRRESA-N -1 0 341.407 3.727 20 0 EHADRM O=C([O-])[C@H](CNC(=O)Cc1cc(Cl)cc2ccccc21)CC1CC1 ZINC000630199066 975156801 /nfs/dbraw/zinc/15/68/01/975156801.db2.gz CIOKFQRZCIJOQQ-HNNXBMFYSA-N -1 0 345.826 3.653 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N(Cc2ccccc2Cl)CC2CC2)C1 ZINC000630229207 975176932 /nfs/dbraw/zinc/17/69/32/975176932.db2.gz UTWWMINNVOQEQA-CABCVRRESA-N -1 0 349.858 3.970 20 0 EHADRM O=C([O-])c1cnc(C2CCN(C(=O)C3CCC4(CC4)CC3)CC2)s1 ZINC000630243835 975189753 /nfs/dbraw/zinc/18/97/53/975189753.db2.gz BRRJRBAAULJKQZ-UHFFFAOYSA-N -1 0 348.468 3.518 20 0 EHADRM CC1=CC[C@@](C)(C(=O)Nc2ccc(O[C@@H](C)C(=O)[O-])c(F)c2)CC1 ZINC000630260792 975204521 /nfs/dbraw/zinc/20/45/21/975204521.db2.gz PKTLWYURONNRBD-KPZWWZAWSA-N -1 0 335.375 3.753 20 0 EHADRM CCC(CC)n1nc(C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)cc1C ZINC000630266465 975210561 /nfs/dbraw/zinc/21/05/61/975210561.db2.gz FACFFLSZZVDWPD-INIZCTEOSA-N -1 0 349.475 3.564 20 0 EHADRM O=C([O-])[C@H](CNC(=O)CCc1cc(Cl)cs1)C1CCCCC1 ZINC000630266542 975210638 /nfs/dbraw/zinc/21/06/38/975210638.db2.gz YXGGVLKEMIVXKV-CQSZACIVSA-N -1 0 343.876 3.731 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc(Cl)ccc2Cl)[C@@H]2CCC[C@H]21 ZINC000630275739 975220512 /nfs/dbraw/zinc/22/05/12/975220512.db2.gz UHOFBUGWADEGSP-MISXGVKJSA-N -1 0 342.222 3.709 20 0 EHADRM C[C@H](CCC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000630286070 975230319 /nfs/dbraw/zinc/23/03/19/975230319.db2.gz PQOUZNLYURIRFA-LAVFITLUSA-N -1 0 329.440 3.672 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CC[C@H]2CCCCO2)c2ccccc12 ZINC000630287250 975231629 /nfs/dbraw/zinc/23/16/29/975231629.db2.gz LIAYVOLPBIBEMG-CYBMUJFWSA-N -1 0 327.380 3.826 20 0 EHADRM CC(C)COc1cccc(NC(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC000630289261 975232301 /nfs/dbraw/zinc/23/23/01/975232301.db2.gz RDXZMOJAAVHQJH-UHFFFAOYSA-N -1 0 327.380 3.601 20 0 EHADRM COc1ccc(CN(C(=O)CC(C)(C)CC(=O)[O-])[C@@H](C)C2CC2)cc1 ZINC000630288455 975232545 /nfs/dbraw/zinc/23/25/45/975232545.db2.gz LSPXDLIUBPYJMG-AWEZNQCLSA-N -1 0 347.455 3.713 20 0 EHADRM Cc1cc(C(=O)N2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)oc1C(=O)[O-] ZINC000630295997 975235733 /nfs/dbraw/zinc/23/57/33/975235733.db2.gz XCJNYWBNWNLJBW-NFAWXSAZSA-N -1 0 327.380 3.693 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000630302061 975240271 /nfs/dbraw/zinc/24/02/71/975240271.db2.gz TUKOYPAFYVVNST-OAHLLOKOSA-N -1 0 349.333 3.932 20 0 EHADRM Cc1ccc(C)c(S([O-])=CC(=O)N(C)[C@H](C)c2ccccc2)c1 ZINC000107967307 1014246451 /nfs/dbraw/zinc/24/64/51/1014246451.db2.gz ZILFDPQSPQPZMD-MWTRTKDXSA-N -1 0 329.465 3.631 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N3C4CCC3(C(=O)[O-])CC4)o2)cc1 ZINC000630326075 975253736 /nfs/dbraw/zinc/25/37/36/975253736.db2.gz WGQCRZNKDPPQNP-UHFFFAOYSA-N -1 0 339.391 3.731 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)CCc2cc(F)ccc2F)cc1 ZINC000630328678 975256085 /nfs/dbraw/zinc/25/60/85/975256085.db2.gz SBFQHZBHPFSUEI-JKSUJKDBSA-N -1 0 345.345 3.724 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cccc(-c3cccs3)c2)CC[C@H]1C(=O)[O-] ZINC000630560084 975267234 /nfs/dbraw/zinc/26/72/34/975267234.db2.gz HEUQHJLAXQBMCD-SWLSCSKDSA-N -1 0 344.436 3.990 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1cccc(Br)c1Cl ZINC000634834788 975278387 /nfs/dbraw/zinc/27/83/87/975278387.db2.gz LGHWMURTGXBMKI-ZETCQYMHSA-N -1 0 334.597 3.542 20 0 EHADRM CCC(CC)[C@H]1C[C@H](NC(=O)CC2(CC(=O)[O-])CCCC2)CCO1 ZINC000634907530 975280703 /nfs/dbraw/zinc/28/07/03/975280703.db2.gz NXAMXYPKNABGEL-HZPDHXFCSA-N -1 0 339.476 3.512 20 0 EHADRM COCc1ccc([C@@H]2CCCN2C(=O)CC2(CC(=O)[O-])CCCC2)o1 ZINC000634911460 975281107 /nfs/dbraw/zinc/28/11/07/975281107.db2.gz ZLDBZUIGMQPIOC-HNNXBMFYSA-N -1 0 349.427 3.515 20 0 EHADRM COc1cc(C)c(NC(=O)CC2(CC(=O)[O-])CCCC2)c(C)c1C ZINC000634916768 975281177 /nfs/dbraw/zinc/28/11/77/975281177.db2.gz FRDFYLUGUDJSCX-UHFFFAOYSA-N -1 0 333.428 3.984 20 0 EHADRM Cc1nc2ccc(C(=O)Nc3cccc(C(=O)[O-])c3C)cc2nc1C ZINC000642148793 975290093 /nfs/dbraw/zinc/29/00/93/975290093.db2.gz SYCPANIEHFKAMJ-UHFFFAOYSA-N -1 0 335.363 3.506 20 0 EHADRM O=C([O-])[C@H]1CCN(Cc2ncc(Cl)cc2Cl)c2ccccc21 ZINC000643055684 975296522 /nfs/dbraw/zinc/29/65/22/975296522.db2.gz KCXROZYEKAFEOR-LBPRGKRZSA-N -1 0 337.206 3.967 20 0 EHADRM Cc1ccc(C2CCN(c3ncc(C(=O)[O-])cc3Cl)CC2)cn1 ZINC000647453194 975363995 /nfs/dbraw/zinc/36/39/95/975363995.db2.gz ZSMCJWYNURSGGG-UHFFFAOYSA-N -1 0 331.803 3.521 20 0 EHADRM CCC(CC)[C@H](C)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000648333484 975381024 /nfs/dbraw/zinc/38/10/24/975381024.db2.gz ZJLYEZREAVPAJB-LBPRGKRZSA-N -1 0 342.439 3.823 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N1CC2(CCC2)C[C@H]1C)C(=O)[O-] ZINC000649265089 975405417 /nfs/dbraw/zinc/40/54/17/975405417.db2.gz QRAJVEMJCZLQDV-CHWSQXEVSA-N -1 0 333.453 3.657 20 0 EHADRM CCCn1c(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc2ccccc21 ZINC000649364144 975408600 /nfs/dbraw/zinc/40/86/00/975408600.db2.gz MOLRVFLDNRBUQC-HNNXBMFYSA-N -1 0 342.439 3.768 20 0 EHADRM CC(C)c1cc(N2Cc3ccccc3[C@H](C(=O)[O-])C2)nc(C(C)C)n1 ZINC000649401160 975415567 /nfs/dbraw/zinc/41/55/67/975415567.db2.gz VZSXRWRJGJGKON-MRXNPFEDSA-N -1 0 339.439 3.912 20 0 EHADRM CC(C)O[C@H](c1nc(-c2ccc(C(=O)[O-])cc2)no1)c1ccccc1 ZINC001591686043 975489579 /nfs/dbraw/zinc/48/95/79/975489579.db2.gz GQZUCWYAROKRPK-INIZCTEOSA-N -1 0 338.363 3.949 20 0 EHADRM CC(C)OC1(C(=O)O[C@H]2CCCc3cc(C(=O)[O-])ccc32)CCC1 ZINC001591693483 975511112 /nfs/dbraw/zinc/51/11/12/975511112.db2.gz WVBATCAGKRJVKJ-INIZCTEOSA-N -1 0 332.396 3.653 20 0 EHADRM CN(Cc1ccoc1C(=O)[O-])Cc1ccccc1OC(F)(F)F ZINC000652385686 975518725 /nfs/dbraw/zinc/51/87/25/975518725.db2.gz RHGYPCTWHNKLPE-UHFFFAOYSA-N -1 0 329.274 3.508 20 0 EHADRM Cc1cc(CN2CC[C@H](Oc3ccccc3Cl)C2)oc1C(=O)[O-] ZINC000652435176 975530035 /nfs/dbraw/zinc/53/00/35/975530035.db2.gz SEBXSHDDSCYWJC-LBPRGKRZSA-N -1 0 335.787 3.593 20 0 EHADRM O=C([O-])[C@H]1CC12CCN(Cc1nc(C3CCCCC3)cs1)CC2 ZINC000652479526 975546560 /nfs/dbraw/zinc/54/65/60/975546560.db2.gz ZQEGGCUREISHNO-CQSZACIVSA-N -1 0 334.485 3.878 20 0 EHADRM CCn1cc(CN(Cc2cc(C(=O)[O-])ccc2Cl)C(C)C)cn1 ZINC000652507448 975568202 /nfs/dbraw/zinc/56/82/02/975568202.db2.gz DHWUTXZLPAHYTM-UHFFFAOYSA-N -1 0 335.835 3.665 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)NCC2(c3ccccc3)CCCC2)c1 ZINC000653637243 975601198 /nfs/dbraw/zinc/60/11/98/975601198.db2.gz VNXDECNMKVPGPO-UHFFFAOYSA-N -1 0 337.419 3.556 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)NC2(c3ccc(Cl)cc3)CCC2)c1 ZINC000653639141 975604530 /nfs/dbraw/zinc/60/45/30/975604530.db2.gz VUABHZAXWABINE-UHFFFAOYSA-N -1 0 343.810 3.776 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)c1cccc(CC(=O)[O-])c1)C(C)C ZINC000653640800 975607224 /nfs/dbraw/zinc/60/72/24/975607224.db2.gz JYXBVGPIIZKDGL-IBGZPJMESA-N -1 0 325.408 3.749 20 0 EHADRM C[C@H]1CN(C(=O)c2cccc(CC(=O)[O-])c2)CC[C@H]1c1ccccc1 ZINC000653641741 975609006 /nfs/dbraw/zinc/60/90/06/975609006.db2.gz VXROAJHMGOJUSH-HNAYVOBHSA-N -1 0 337.419 3.580 20 0 EHADRM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)CCCCC(=O)[O-] ZINC000655549572 975626311 /nfs/dbraw/zinc/62/63/11/975626311.db2.gz SJOBSADFLOWNPW-NSHDSACASA-N -1 0 331.334 3.870 20 0 EHADRM CCc1cc(C(=O)NC2(CC(=O)[O-])CC2)sc1-c1ccccc1 ZINC000656244988 975656466 /nfs/dbraw/zinc/65/64/66/975656466.db2.gz WHMKPMHFQNEOGI-UHFFFAOYSA-N -1 0 329.421 3.715 20 0 EHADRM CC(C)(C)Oc1ccccc1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000656602405 975664335 /nfs/dbraw/zinc/66/43/35/975664335.db2.gz OMXBWJLGXJNLHJ-UHFFFAOYSA-N -1 0 348.443 3.973 20 0 EHADRM CC(C)OCCNc1cc(Br)cc(C(=O)[O-])c1Cl ZINC001591726225 975682777 /nfs/dbraw/zinc/68/27/77/975682777.db2.gz KAESMNSHTQCHNB-UHFFFAOYSA-N -1 0 336.613 3.638 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(Cc2ccc(Cl)cc2F)C1 ZINC000656756478 975684434 /nfs/dbraw/zinc/68/44/34/975684434.db2.gz DFTMKABSOBXMAS-ZJUUUORDSA-N -1 0 339.716 3.564 20 0 EHADRM Cc1ncc(-c2ccc(NC(=O)C3(C(=O)[O-])CC4(CCC4)C3)cc2)o1 ZINC000659117962 975713146 /nfs/dbraw/zinc/71/31/46/975713146.db2.gz ANCZAUIQZOVKHV-UHFFFAOYSA-N -1 0 340.379 3.624 20 0 EHADRM CC(C)OCc1ccc(NC(=O)c2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC001591735877 975728792 /nfs/dbraw/zinc/72/87/92/975728792.db2.gz XTMIPPYHLHLDES-CSKARUKUSA-N -1 0 329.352 3.555 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)[C@@H]2CCC[C@H]2Cc2ccccc2)c1 ZINC000659138344 975737999 /nfs/dbraw/zinc/73/79/99/975737999.db2.gz VQFFRGLQHUFUFO-PKOBYXMFSA-N -1 0 337.419 3.911 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C2(C(F)(F)F)CCCCC2)C1 ZINC000659145739 975745520 /nfs/dbraw/zinc/74/55/20/975745520.db2.gz RRXLNCFUZAQERE-GFCCVEGCSA-N -1 0 349.393 3.849 20 0 EHADRM CCC[C@H]1CCC[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000659150081 975751649 /nfs/dbraw/zinc/75/16/49/975751649.db2.gz SELXYOFCZUYOLK-LEUOFYLZSA-N -1 0 329.440 3.530 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCC[C@]1(C)Cc1ccccc1Cl ZINC000659171759 975769756 /nfs/dbraw/zinc/76/97/56/975769756.db2.gz GPRMURJKFOTSDT-SCLBCKFNSA-N -1 0 337.847 3.765 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(Cl)cc2F)[C@@H]2CCCC[C@@H]12 ZINC000659191070 975787983 /nfs/dbraw/zinc/78/79/83/975787983.db2.gz WNSFXXCQCJJVJQ-YWPYICTPSA-N -1 0 339.794 3.585 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(Cl)cc2F)[C@H]2CCCC[C@@H]12 ZINC000659191072 975788327 /nfs/dbraw/zinc/78/83/27/975788327.db2.gz WNSFXXCQCJJVJQ-ZOWXZIJZSA-N -1 0 339.794 3.585 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cccc(C3CC3)c2)[C@H]2CCCC[C@@H]12 ZINC000659195724 975798278 /nfs/dbraw/zinc/79/82/78/975798278.db2.gz YTAWHIVUMZLAOE-KSZLIROESA-N -1 0 327.424 3.670 20 0 EHADRM CCC[C@H](C(=O)NCc1ccoc1C(=O)[O-])c1ccc(Cl)cc1 ZINC000659201786 975809994 /nfs/dbraw/zinc/80/99/94/975809994.db2.gz SFUOVUWVOZHESU-AWEZNQCLSA-N -1 0 335.787 3.831 20 0 EHADRM C[C@@H](CC(=O)NCc1ccoc1C(=O)[O-])Cc1ccc(Cl)cc1 ZINC000659201704 975810063 /nfs/dbraw/zinc/81/00/63/975810063.db2.gz XSIMOHKXGBYSTI-LLVKDONJSA-N -1 0 335.787 3.516 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N(C)C1CC(C)(C)C1 ZINC001591763294 975866030 /nfs/dbraw/zinc/86/60/30/975866030.db2.gz MLAAEJWLJQNKMN-UHFFFAOYSA-N -1 0 334.416 3.824 20 0 EHADRM O=C([O-])[C@@H](c1c(F)cccc1Cl)N1CC[C@@H](Oc2ccccc2)C1 ZINC000659801153 975892123 /nfs/dbraw/zinc/89/21/23/975892123.db2.gz AQYGAXSRQBUMII-CXAGYDPISA-N -1 0 349.789 3.758 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)C2[C@@H]3CCCCCC[C@@H]23)c2ccccc21 ZINC000663055218 975921947 /nfs/dbraw/zinc/92/19/47/975921947.db2.gz WLRWLKPZSJVIJQ-BZUAXINKSA-N -1 0 327.424 3.808 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)c2ccccc21 ZINC000663055219 975922632 /nfs/dbraw/zinc/92/26/32/975922632.db2.gz WLRWLKPZSJVIJQ-HPFXQQBRSA-N -1 0 327.424 3.808 20 0 EHADRM Cc1ccc(CN(C(=O)c2ccc(OCC(=O)[O-])cc2)C(C)C)s1 ZINC000663083506 975924126 /nfs/dbraw/zinc/92/41/26/975924126.db2.gz LZQIBHDWMAFFOQ-UHFFFAOYSA-N -1 0 347.436 3.571 20 0 EHADRM CC(C)Oc1ccc(NC(=O)NCC2(CC(=O)[O-])CCCC2)cc1 ZINC001591786756 975959831 /nfs/dbraw/zinc/95/98/31/975959831.db2.gz QEJJAXXPTABNQM-UHFFFAOYSA-N -1 0 334.416 3.630 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N[C@H](CC(=O)[O-])C2CC2)c(Cl)c1 ZINC001591786822 975961419 /nfs/dbraw/zinc/96/14/19/975961419.db2.gz UAMMWPVKRVLRLV-CQSZACIVSA-N -1 0 340.807 3.502 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)c(C(=O)[O-])c1 ZINC001591788120 975967639 /nfs/dbraw/zinc/96/76/39/975967639.db2.gz NHTFQLFLNWUUNJ-VNHYZAJKSA-N -1 0 329.396 3.713 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CC1CC(F)(F)C1)c1ccc2ccccc2c1 ZINC000668287643 975986848 /nfs/dbraw/zinc/98/68/48/975986848.db2.gz HWVZTTIAPAHGCG-INIZCTEOSA-N -1 0 347.361 3.907 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000668323334 975997126 /nfs/dbraw/zinc/99/71/26/975997126.db2.gz VLHSBAAIFIQBDY-MPKXVKKWSA-N -1 0 343.345 3.569 20 0 EHADRM C[C@@H](Cc1ccc(NCc2nc3c(s2)CCCC3)cc1)C(=O)[O-] ZINC000669478124 976006894 /nfs/dbraw/zinc/00/68/94/976006894.db2.gz WGEFJDPOESGIAP-LBPRGKRZSA-N -1 0 330.453 3.897 20 0 EHADRM CC(C)Oc1ccccc1CC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC001591801584 976018527 /nfs/dbraw/zinc/01/85/27/976018527.db2.gz QOWIZDTWLWVWOP-KRWDZBQOSA-N -1 0 347.455 3.556 20 0 EHADRM Cc1cccc(C2(C(=O)NCC3(C(=O)[O-])CCCC3)CCCC2)c1 ZINC000676023424 976027672 /nfs/dbraw/zinc/02/76/72/976027672.db2.gz KBQZZYAKAONGIF-UHFFFAOYSA-N -1 0 329.440 3.568 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000678973579 976032475 /nfs/dbraw/zinc/03/24/75/976032475.db2.gz GUICWGKUYIAAIS-MRXNPFEDSA-N -1 0 347.455 3.618 20 0 EHADRM CC[C@@H](CC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC000679102070 976042794 /nfs/dbraw/zinc/04/27/94/976042794.db2.gz TXLKPMXKPHFFKF-DOTOQJQBSA-N -1 0 331.456 3.920 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cccs1 ZINC000683298654 976082316 /nfs/dbraw/zinc/08/23/16/976082316.db2.gz GZBJYLWMFOJPKG-YJNKXOJESA-N -1 0 335.469 3.987 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC000683308812 976084713 /nfs/dbraw/zinc/08/47/13/976084713.db2.gz ZNUOMCYFLDVWDV-UHFFFAOYSA-N -1 0 342.395 3.510 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NCC1(c2ccccc2)CCCCC1 ZINC000683320512 976086384 /nfs/dbraw/zinc/08/63/84/976086384.db2.gz QJYSGWWVSVGPTM-UHFFFAOYSA-N -1 0 331.456 3.896 20 0 EHADRM CC(C)n1ncc(C(=O)Nc2cc(F)cc(Cl)c2[O-])c1Cl ZINC001625779495 1014322010 /nfs/dbraw/zinc/32/20/10/1014322010.db2.gz NAHVTUBIPGYGAA-UHFFFAOYSA-N -1 0 332.162 3.868 20 0 EHADRM CC(C)c1cc(NC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)ccc1O ZINC001591936289 976457913 /nfs/dbraw/zinc/45/79/13/976457913.db2.gz SKJBMSCTBKTFDC-UHFFFAOYSA-N -1 0 346.358 3.926 20 0 EHADRM CC(C)c1ccc(-n2ccnc2SCc2oncc2C(=O)[O-])cc1 ZINC001591943430 976479281 /nfs/dbraw/zinc/47/92/81/976479281.db2.gz JMIDXPFSNKERNQ-UHFFFAOYSA-N -1 0 343.408 3.974 20 0 EHADRM CC(C)c1ccc(C(C)(C)NC(=O)c2csc(C(=O)[O-])n2)cc1 ZINC001591947538 976492046 /nfs/dbraw/zinc/49/20/46/976492046.db2.gz NVDANGPEEGGWFK-UHFFFAOYSA-N -1 0 332.425 3.630 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)cc1 ZINC001591947665 976492547 /nfs/dbraw/zinc/49/25/47/976492547.db2.gz QKGRGLDQKXICLR-IIDMSEBBSA-N -1 0 331.456 3.873 20 0 EHADRM CC(C)c1ccc([C@H](NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C(C)C)cc1 ZINC001591948857 976503761 /nfs/dbraw/zinc/50/37/61/976503761.db2.gz MGFNVEOPMWNPLK-BRWVUGGUSA-N -1 0 332.444 3.670 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)OCc2oncc2C(=O)[O-])cc1 ZINC001591952409 976509902 /nfs/dbraw/zinc/50/99/02/976509902.db2.gz CHUYISFTYQTXGS-ARJAWSKDSA-N -1 0 329.352 3.643 20 0 EHADRM CC(C)c1ccc(NC(=O)CCC(=O)OC(C)(C)C)c(C(=O)[O-])c1 ZINC001591962301 976547108 /nfs/dbraw/zinc/54/71/08/976547108.db2.gz HFRXLNYAKOJYAU-UHFFFAOYSA-N -1 0 335.400 3.569 20 0 EHADRM CC(C)c1ccc(NC(=O)C[C@H]2CCC3(CCC3)O2)c(C(=O)[O-])c1 ZINC001591962743 976550561 /nfs/dbraw/zinc/55/05/61/976550561.db2.gz PSOVPDSCAHILJG-CQSZACIVSA-N -1 0 331.412 3.939 20 0 EHADRM CC(C)c1ccc(NC(=O)c2ccc3c(c2)COC3)c(C(=O)[O-])c1 ZINC001591968922 976568239 /nfs/dbraw/zinc/56/82/39/976568239.db2.gz UNDZMZDZKDUPAR-UHFFFAOYSA-N -1 0 325.364 3.791 20 0 EHADRM CC(C)c1ccc2occ(C(=O)OCc3oncc3C(=O)[O-])c2c1 ZINC001591980654 976595073 /nfs/dbraw/zinc/59/50/73/976595073.db2.gz JUMSHPNZJSUGGZ-UHFFFAOYSA-N -1 0 329.308 3.599 20 0 EHADRM CC(C)c1cccc(-c2ccc(C(=O)N3CC(C)(C(=O)[O-])C3)o2)c1 ZINC001591981553 976597775 /nfs/dbraw/zinc/59/77/75/976597775.db2.gz RCENDUVFZFGPSB-UHFFFAOYSA-N -1 0 327.380 3.617 20 0 EHADRM CC(C)c1cccc(C(=O)OCc2c(F)cc(C(=O)[O-])cc2F)n1 ZINC001591987284 976610738 /nfs/dbraw/zinc/61/07/38/976610738.db2.gz MBRWSUYTTFVZIB-UHFFFAOYSA-N -1 0 335.306 3.538 20 0 EHADRM CC(C)c1ccccc1C(=O)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001591994246 976630093 /nfs/dbraw/zinc/63/00/93/976630093.db2.gz FXFIRYZMDSMNLG-UHFFFAOYSA-N -1 0 339.391 3.543 20 0 EHADRM CCOC(=O)c1cnc(NC(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)[n-]1 ZINC000339392605 1014339845 /nfs/dbraw/zinc/33/98/45/1014339845.db2.gz HJMRNJMBEUOZTA-CMXJYWLISA-N -1 0 345.443 3.522 20 0 EHADRM CC(C)c1ccccc1OCC(=O)OCc1cccc(C(=O)[O-])c1 ZINC001591997658 976643022 /nfs/dbraw/zinc/64/30/22/976643022.db2.gz GCMFJACEVRRTKQ-UHFFFAOYSA-N -1 0 328.364 3.630 20 0 EHADRM CC(C)c1nc(NC(=O)CSc2ccccc2)sc1C(=O)[O-] ZINC001592028939 976731952 /nfs/dbraw/zinc/73/19/52/976731952.db2.gz XKYIHJZTMJDAPI-UHFFFAOYSA-N -1 0 336.438 3.696 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)N[C@H]3CCC[C@@H]3C(=O)[O-])cc2s1 ZINC001592031358 976739863 /nfs/dbraw/zinc/73/98/63/976739863.db2.gz CJFFOFQNTCEVIK-RYUDHWBXSA-N -1 0 347.440 3.795 20 0 EHADRM CC(C)n1ncc2c1[C@@H](N[C@H](C(=O)[O-])c1ccccc1Cl)CCC2 ZINC001592157035 977032468 /nfs/dbraw/zinc/03/24/68/977032468.db2.gz DFCKJJVLRQFTDF-HOTGVXAUSA-N -1 0 347.846 3.910 20 0 EHADRM CC(C)n1ncc2cc(NC(=O)c3ccsc3C(=O)[O-])ccc21 ZINC001592162595 977040286 /nfs/dbraw/zinc/04/02/86/977040286.db2.gz ABYBYAVIQDIGFH-UHFFFAOYSA-N -1 0 329.381 3.629 20 0 EHADRM C[C@H](/C=C\C(=O)[O-])NC(=O)C1(c2cccc(Cl)c2)CCCCC1 ZINC001592195216 977176641 /nfs/dbraw/zinc/17/66/41/977176641.db2.gz SFACOXHUBUTHLC-LJTDUEICSA-N -1 0 335.831 3.687 20 0 EHADRM C[C@H](/C=C\C(=O)[O-])NC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC001592205029 977236365 /nfs/dbraw/zinc/23/63/65/977236365.db2.gz NQXHWMSBDGVXDT-WJVBWYCWSA-N -1 0 335.469 3.658 20 0 EHADRM CCCN(C(=O)N=c1[n-]nc2ccccn21)[C@@H](CC)c1ccccc1 ZINC000605199071 1014390278 /nfs/dbraw/zinc/39/02/78/1014390278.db2.gz HPRQVVMHUQFGJK-INIZCTEOSA-N -1 0 337.427 3.546 20 0 EHADRM C[C@@H](CC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)Cc1ccc(Cl)cc1 ZINC001592261495 977503217 /nfs/dbraw/zinc/50/32/17/977503217.db2.gz DDIYZAFNLIGPBF-YIUHCBHRSA-N -1 0 349.858 3.524 20 0 EHADRM C[C@H](CC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1)c1cccnc1 ZINC001592262044 977505930 /nfs/dbraw/zinc/50/59/30/977505930.db2.gz MFHXYTGEZRJCDM-SECBINFHSA-N -1 0 336.750 3.705 20 0 EHADRM C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)Nc1cccc2ccncc21 ZINC001592274256 977547172 /nfs/dbraw/zinc/54/71/72/977547172.db2.gz MFPIPBRFKPTJHS-ZDUSSCGKSA-N -1 0 349.390 3.762 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N(CCCc1ccccc1)c1ccccc1 ZINC001592336518 977787228 /nfs/dbraw/zinc/78/72/28/977787228.db2.gz MWKYOUADCZVRNV-MRXNPFEDSA-N -1 0 325.408 3.763 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1cc(C2CCC2)nn1-c1ccccc1 ZINC001592391122 977935307 /nfs/dbraw/zinc/93/53/07/977935307.db2.gz BVMGHXLMAQUFEE-CYBMUJFWSA-N -1 0 341.411 3.579 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)O[C@H](C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC001592395693 977955150 /nfs/dbraw/zinc/95/51/50/977955150.db2.gz MZGMKOMYUYKJCS-CHWSQXEVSA-N -1 0 334.412 3.599 20 0 EHADRM C[C@H](CC(=O)Oc1ccccc1C(=O)[O-])C(=O)c1ccc(Cl)cc1 ZINC001592437993 978081894 /nfs/dbraw/zinc/08/18/94/978081894.db2.gz PAPYIIFJAAUYJP-LLVKDONJSA-N -1 0 346.766 3.853 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001592451627 978137231 /nfs/dbraw/zinc/13/72/31/978137231.db2.gz CVRHXZVFPUDDLA-TVRCVXMWSA-N -1 0 343.467 3.894 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)N1C[C@@H](C(=O)[O-])Oc2cc(F)ccc21 ZINC001592465287 978205640 /nfs/dbraw/zinc/20/56/40/978205640.db2.gz CUOQOMDANJWCPM-PXAZEXFGSA-N -1 0 349.402 3.611 20 0 EHADRM C[C@@H](CC1CCCCC1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001592466227 978211518 /nfs/dbraw/zinc/21/15/18/978211518.db2.gz SJKWTWLLCQOWII-SUMWQHHRSA-N -1 0 335.419 3.544 20 0 EHADRM C[C@@H](CCCC(F)(F)F)NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001592476985 978238862 /nfs/dbraw/zinc/23/88/62/978238862.db2.gz GKNYVJVZOVEHSG-NSHDSACASA-N -1 0 346.349 3.946 20 0 EHADRM O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc([O-])c(Cl)c1 ZINC000063702013 1014473364 /nfs/dbraw/zinc/47/33/64/1014473364.db2.gz VIVBZBXAFCMXAA-UHFFFAOYSA-N -1 0 344.842 3.966 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1 ZINC001592491807 978284681 /nfs/dbraw/zinc/28/46/81/978284681.db2.gz NBSGRGHOPNKBAO-JXXFODFXSA-N -1 0 331.456 3.795 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC001592492445 978287023 /nfs/dbraw/zinc/28/70/23/978287023.db2.gz UDXOKVWAXVCLAB-CYBMUJFWSA-N -1 0 327.380 3.688 20 0 EHADRM CC(=O)Nc1c(C)cccc1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000736155919 978306417 /nfs/dbraw/zinc/30/64/17/978306417.db2.gz OQCIOJDXBJATGZ-UHFFFAOYSA-N -1 0 346.770 3.557 20 0 EHADRM CCN(C)[C@H](C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1ccccc1 ZINC000737069594 978377909 /nfs/dbraw/zinc/37/79/09/978377909.db2.gz YWJBAERGYFQGKV-INIZCTEOSA-N -1 0 346.814 3.670 20 0 EHADRM Cc1cccc(CSCC(=O)Oc2ccc(C)cc2C(=O)[O-])c1 ZINC000738721664 978596600 /nfs/dbraw/zinc/59/66/00/978596600.db2.gz MRGNHZMCKMKGFM-UHFFFAOYSA-N -1 0 330.405 3.840 20 0 EHADRM C[C@](CNC(=O)CCCC1CCCCC1)(C(=O)[O-])c1ccccc1 ZINC001592646397 978625737 /nfs/dbraw/zinc/62/57/37/978625737.db2.gz WGWJWEUBOOVQNL-HXUWFJFHSA-N -1 0 331.456 3.896 20 0 EHADRM O=C([O-])[C@@H](Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc(F)cc1 ZINC000739511202 978643488 /nfs/dbraw/zinc/64/34/88/978643488.db2.gz DDLVKHZUSXGZCZ-ROUUACIJSA-N -1 0 345.370 3.621 20 0 EHADRM O=C([O-])NCCCC(=O)N(Cc1ccccc1F)C1CCCCC1 ZINC000739952381 978659829 /nfs/dbraw/zinc/65/98/29/978659829.db2.gz BOHLCINKEHANPO-UHFFFAOYSA-N -1 0 336.407 3.535 20 0 EHADRM C[C@@H]1c2cc(F)cc(F)c2CCN1CCOc1ccccc1C(=O)[O-] ZINC000768781772 978739725 /nfs/dbraw/zinc/73/97/25/978739725.db2.gz LYOPRKJUNUWYKN-GFCCVEGCSA-N -1 0 347.361 3.661 20 0 EHADRM CCCCn1cc(C(=O)Nc2cc(F)cc(Cl)c2[O-])c(C)n1 ZINC000274676146 1014525456 /nfs/dbraw/zinc/52/54/56/1014525456.db2.gz IZXABZMKQXYKEK-UHFFFAOYSA-N -1 0 325.771 3.742 20 0 EHADRM COCc1cc(NC(=O)/C=C(/C)c2ccccc2)cc(C(=O)[O-])c1 ZINC000794003172 978812300 /nfs/dbraw/zinc/81/23/00/978812300.db2.gz PWPVWYGQNQYQIK-JYRVWZFOSA-N -1 0 325.364 3.573 20 0 EHADRM C/C(=C/c1ccccc1Cl)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000799247588 978839375 /nfs/dbraw/zinc/83/93/75/978839375.db2.gz WCMMAMRQCYRPJN-KUGGDMIFSA-N -1 0 341.794 3.958 20 0 EHADRM Cc1ccc(CCNC(=O)c2cc(C(=O)[O-])ccc2Cl)c(C)c1 ZINC000811815122 978858336 /nfs/dbraw/zinc/85/83/36/978858336.db2.gz GRWYJCCNZIWUAK-UHFFFAOYSA-N -1 0 331.799 3.628 20 0 EHADRM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000811820988 978864805 /nfs/dbraw/zinc/86/48/05/978864805.db2.gz RQFJKTPKIAFDRV-VXGBXAGGSA-N -1 0 341.860 3.784 20 0 EHADRM CCSCC[C@H](C)N(C)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811821252 978865685 /nfs/dbraw/zinc/86/56/85/978865685.db2.gz XQSKTYAUCVQOCH-JTQLQIEISA-N -1 0 329.849 3.642 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)N(C)C2(C(=O)[O-])CCCC2)c1 ZINC000826648087 978947720 /nfs/dbraw/zinc/94/77/20/978947720.db2.gz RRWAYCPQPJFIIW-UHFFFAOYSA-N -1 0 331.412 3.501 20 0 EHADRM CC(C)[C@@H]1c2ccccc2CCN1C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000826747587 978948726 /nfs/dbraw/zinc/94/87/26/978948726.db2.gz NVKPLZDVAPJGKJ-QGZVFWFLSA-N -1 0 341.411 3.511 20 0 EHADRM CC(C)(COCc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000828123758 978970335 /nfs/dbraw/zinc/97/03/35/978970335.db2.gz XNUUDKIGFQSWPY-UHFFFAOYSA-N -1 0 345.370 3.705 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)s1 ZINC000471117325 1014541075 /nfs/dbraw/zinc/54/10/75/1014541075.db2.gz UQKXRULDSJILMV-JSGCOSHPSA-N -1 0 348.447 3.509 20 0 EHADRM Cc1nc(CC(=O)Nc2cc3ccccc3cc2C(=O)[O-])c(C)s1 ZINC000832998439 979066846 /nfs/dbraw/zinc/06/68/46/979066846.db2.gz LRLYXWGDHIOYAR-UHFFFAOYSA-N -1 0 340.404 3.793 20 0 EHADRM CC[C@H](C)c1nnc(N2CCC[C@H](C(C)(C)C(=O)[O-])C2)n1CC1CC1 ZINC001595017451 979079895 /nfs/dbraw/zinc/07/98/95/979079895.db2.gz GTZVJLWVNCIZGC-ZFWWWQNUSA-N -1 0 348.491 3.529 20 0 EHADRM O=C([O-])c1cc(C(=O)N[C@H](c2ccccc2)C2CCCCC2)ccn1 ZINC000833127904 979088616 /nfs/dbraw/zinc/08/86/16/979088616.db2.gz LVGFETAJGSKYQX-GOSISDBHSA-N -1 0 338.407 3.831 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NC2CC(c3ccccc3)C2)cc1F ZINC000833153550 979097535 /nfs/dbraw/zinc/09/75/35/979097535.db2.gz LLCQSSCTGUZFBE-UHFFFAOYSA-N -1 0 328.343 3.592 20 0 EHADRM C[C@@](CNC(=O)Nc1ccc(Cl)cc1)(C(=O)[O-])c1ccccc1 ZINC001592682757 979107089 /nfs/dbraw/zinc/10/70/89/979107089.db2.gz SDTBLWVYAAKSBK-KRWDZBQOSA-N -1 0 332.787 3.504 20 0 EHADRM CC[C@H](C)n1nccc1C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001595027963 979146581 /nfs/dbraw/zinc/14/65/81/979146581.db2.gz AOBZSDPFDDVRTD-LBPRGKRZSA-N -1 0 337.379 3.958 20 0 EHADRM O=C([O-])c1sccc1NC(=O)N1CCC(c2ccc(F)cc2)CC1 ZINC000833348078 979167478 /nfs/dbraw/zinc/16/74/78/979167478.db2.gz NFXYDGLOACVCGO-UHFFFAOYSA-N -1 0 348.399 3.997 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1c[nH]c2cc(Cl)ccc21)c1ccccc1F ZINC000833352653 979168030 /nfs/dbraw/zinc/16/80/30/979168030.db2.gz YJUVQRLTDYLHCA-OAHLLOKOSA-N -1 0 347.729 3.943 20 0 EHADRM CC[C@@H](CC(=O)NC[C@@H](Cc1ccccc1OC)C(=O)[O-])C(C)(C)C ZINC001595033668 979177960 /nfs/dbraw/zinc/17/79/60/979177960.db2.gz PBZBKQSSQFEPHW-CVEARBPZSA-N -1 0 349.471 3.517 20 0 EHADRM CC[C@@H](CC(C)C)C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC001595035406 979184193 /nfs/dbraw/zinc/18/41/93/979184193.db2.gz FLBYDVVQBXTUJO-RYUDHWBXSA-N -1 0 325.380 3.688 20 0 EHADRM CC[C@H](CC(C)C)C(=O)Nc1nc2nc(C)cc(C(=O)[O-])c2s1 ZINC001595036145 979190773 /nfs/dbraw/zinc/19/07/73/979190773.db2.gz NPTFWAXKQJIWJZ-SNVBAGLBSA-N -1 0 335.429 3.709 20 0 EHADRM CCC(CC)(CC(=O)[O-])C(=O)OCc1nc(Cl)ccc1Cl ZINC001595048975 979270565 /nfs/dbraw/zinc/27/05/65/979270565.db2.gz XSZRYXGIHOVONU-UHFFFAOYSA-N -1 0 334.199 3.713 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1ccc(OC(C)C)cc1C ZINC001595050618 979279603 /nfs/dbraw/zinc/27/96/03/979279603.db2.gz UQWFMNRERSXYMK-UHFFFAOYSA-N -1 0 336.432 3.937 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)NC1(C(F)(F)F)CCCCC1 ZINC001595050767 979280481 /nfs/dbraw/zinc/28/04/81/979280481.db2.gz CAZMJPXDMDOAOK-UHFFFAOYSA-N -1 0 338.370 3.584 20 0 EHADRM COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000840943790 979281647 /nfs/dbraw/zinc/28/16/47/979281647.db2.gz NSRKUAFZVUOUBE-AFAVFJNCSA-N -1 0 339.391 3.626 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)CO[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC001595051396 979283544 /nfs/dbraw/zinc/28/35/44/979283544.db2.gz YSDYTEUNPSYVBZ-HRCADAONSA-N -1 0 341.492 3.614 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cc2c(nc(C)cc2C)s1 ZINC001595053756 979289554 /nfs/dbraw/zinc/28/95/54/979289554.db2.gz WOWYZLYEXOSXHZ-UHFFFAOYSA-N -1 0 334.441 3.676 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cc(Cl)cc(C)c1OC)C(=O)[O-] ZINC001595071166 979339676 /nfs/dbraw/zinc/33/96/76/979339676.db2.gz BDJDSLBZDFTYCA-UHFFFAOYSA-N -1 0 342.823 3.670 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc(OC(C)C)c(C)c1)C(=O)[O-] ZINC001595071223 979340092 /nfs/dbraw/zinc/34/00/92/979340092.db2.gz LOIPANINDHBLLL-UHFFFAOYSA-N -1 0 336.432 3.795 20 0 EHADRM CCC(CC)(NC(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)[O-] ZINC001595097755 979395314 /nfs/dbraw/zinc/39/53/14/979395314.db2.gz MSHXDSAHBSSBNX-UHFFFAOYSA-N -1 0 345.370 3.991 20 0 EHADRM C[C@@H](COc1ccccc1)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC001592782822 979420019 /nfs/dbraw/zinc/42/00/19/979420019.db2.gz MNIVAUDNNXQSEW-KBPBESRZSA-N -1 0 327.380 3.528 20 0 EHADRM CCC(CC)[C@H](C)C(=O)O[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001595106365 979431621 /nfs/dbraw/zinc/43/16/21/979431621.db2.gz KIVYRMVKWPOMEQ-QWHCGFSZSA-N -1 0 349.427 3.636 20 0 EHADRM CCC(CC)[C@H](NC(=O)NCC(C)(C)CC(=O)[O-])c1ccccc1 ZINC001595109552 979443672 /nfs/dbraw/zinc/44/36/72/979443672.db2.gz IFZFTMNQSPWWIQ-KRWDZBQOSA-N -1 0 334.460 3.964 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)c1ccc2c(c1)-c1ccccc1C2 ZINC000846713620 979463817 /nfs/dbraw/zinc/46/38/17/979463817.db2.gz UYTCPFVHNAWLNR-QGZVFWFLSA-N -1 0 335.403 3.727 20 0 EHADRM CCC(CC)N(CCOC)C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001595114473 979465353 /nfs/dbraw/zinc/46/53/53/979465353.db2.gz PHTFOAPWONCDKL-UHFFFAOYSA-N -1 0 340.395 3.501 20 0 EHADRM CC[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851592895 979501679 /nfs/dbraw/zinc/50/16/79/979501679.db2.gz HFQWTFPGOZVUDG-HCYCVZQXSA-N -1 0 327.380 3.818 20 0 EHADRM CCC(CC)n1ccc(C(=O)Nc2c(C)sc(C)c2C(=O)[O-])n1 ZINC001595122227 979502614 /nfs/dbraw/zinc/50/26/14/979502614.db2.gz WFNJAANBEGNEQJ-UHFFFAOYSA-N -1 0 335.429 3.873 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(/C=C/C(=O)[O-])o1)C(C)(C)c1ccccc1 ZINC000851597285 979513013 /nfs/dbraw/zinc/51/30/13/979513013.db2.gz WTPFLAPTYGAJGX-MLFXKNMZSA-N -1 0 341.407 3.864 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1ccc(C)c(C)c1C(=O)[O-] ZINC001595126427 979518231 /nfs/dbraw/zinc/51/82/31/979518231.db2.gz ROMFESKVMPATCM-UHFFFAOYSA-N -1 0 329.400 3.812 20 0 EHADRM C[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001592825283 979541300 /nfs/dbraw/zinc/54/13/00/979541300.db2.gz DFKXIWBQJCYJQP-ZDUSSCGKSA-N -1 0 329.421 3.893 20 0 EHADRM CC(C)(C)OCc1cc(C(=O)Nc2cc(F)cc(Cl)c2[O-])no1 ZINC000274703042 1014583374 /nfs/dbraw/zinc/58/33/74/1014583374.db2.gz OGBKGCKYNWNMFU-UHFFFAOYSA-N -1 0 342.754 3.740 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)/C=C/SCc2ccco2)[C@@H]2CCCC[C@@H]12 ZINC000851619859 979548534 /nfs/dbraw/zinc/54/85/34/979548534.db2.gz XYLUGMWWARPVQG-PQQJHVPDSA-N -1 0 349.452 3.518 20 0 EHADRM C[C@H](Cc1c(Cl)cccc1Cl)Nc1ccc(C(=O)[O-])nn1 ZINC001592831976 979561278 /nfs/dbraw/zinc/56/12/78/979561278.db2.gz KINCIFACQWGNTI-MRVPVSSYSA-N -1 0 326.183 3.525 20 0 EHADRM C[C@](Cc1ccc(Cl)cc1)(NC(=O)[C@@H]1CC2CCC1CC2)C(=O)[O-] ZINC001592838935 979593203 /nfs/dbraw/zinc/59/32/03/979593203.db2.gz SDNQGHWQXZUBJW-QRFMQXIYSA-N -1 0 349.858 3.668 20 0 EHADRM C[C@@](Cc1ccc(F)cc1)(NC(=O)[C@H]1CCCCC1(C)C)C(=O)[O-] ZINC001592845479 979613940 /nfs/dbraw/zinc/61/39/40/979613940.db2.gz BTJQHKRTUIBCCC-BEFAXECRSA-N -1 0 335.419 3.544 20 0 EHADRM C[C@@](Cc1ccc(F)cc1)(NC(=O)[C@@H]1CCCCC1(C)C)C(=O)[O-] ZINC001592845485 979614009 /nfs/dbraw/zinc/61/40/09/979614009.db2.gz BTJQHKRTUIBCCC-KXBFYZLASA-N -1 0 335.419 3.544 20 0 EHADRM CC[C@@](CNC(=O)Nc1c(C)cccc1F)(C(=O)[O-])c1ccccc1 ZINC001595149211 979633473 /nfs/dbraw/zinc/63/34/73/979633473.db2.gz BMSVJJBXZAKEOR-IBGZPJMESA-N -1 0 344.386 3.688 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001592853264 979643363 /nfs/dbraw/zinc/64/33/63/979643363.db2.gz FMNIWXKFPTYQIF-ORAYPTAESA-N -1 0 335.419 3.544 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-] ZINC001592855032 979659285 /nfs/dbraw/zinc/65/92/85/979659285.db2.gz ZHHNZVOOPJXMFD-CABCVRRESA-N -1 0 343.398 3.506 20 0 EHADRM CC[C@@H](CNC(=O)Nc1ccc(SC2CCCC2)cc1)C(=O)[O-] ZINC001595154637 979660470 /nfs/dbraw/zinc/66/04/70/979660470.db2.gz NONPORDRXZEEFM-LBPRGKRZSA-N -1 0 336.457 3.954 20 0 EHADRM C[C@H](CSC(F)(F)F)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001592857726 979664897 /nfs/dbraw/zinc/66/48/97/979664897.db2.gz LEFQKXMILCXRSS-VHSXEESVSA-N -1 0 349.374 3.777 20 0 EHADRM COc1ccc([C@H](NC(=O)/C=C\c2cc(C(=O)[O-])co2)C(C)C)cc1 ZINC000864101091 979684835 /nfs/dbraw/zinc/68/48/35/979684835.db2.gz JHNSRDWWEMKGKF-CNZFZVQHSA-N -1 0 343.379 3.513 20 0 EHADRM Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1C(=O)[O-] ZINC000864101714 979685967 /nfs/dbraw/zinc/68/59/67/979685967.db2.gz LNMUFPTWTQRWTP-QGZVFWFLSA-N -1 0 327.355 3.810 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N2CC[C@@H](C)C3(CCC3)C2)cc1)C(=O)[O-] ZINC001592860275 979689431 /nfs/dbraw/zinc/68/94/31/979689431.db2.gz GWWXMBFHWOOEGO-LSDHHAIUSA-N -1 0 344.455 3.994 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N[C@H](C)c2ccsc2)cc1)C(=O)[O-] ZINC001592867377 979714824 /nfs/dbraw/zinc/71/48/24/979714824.db2.gz PEJBPYLLWTYLHH-VXGBXAGGSA-N -1 0 332.425 3.894 20 0 EHADRM Cc1cc(C)c(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)s1 ZINC000864126936 979726892 /nfs/dbraw/zinc/72/68/92/979726892.db2.gz ODLNKOQZTJLSOM-ZDUSSCGKSA-N -1 0 337.828 3.964 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2cccnc2C(F)F)cc1)C(=O)[O-] ZINC001592872856 979732261 /nfs/dbraw/zinc/73/22/61/979732261.db2.gz NABHWCOYOZKOEL-SNVBAGLBSA-N -1 0 334.322 3.535 20 0 EHADRM C[C@@H](CCc1ccc(F)cc1)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000864136374 979738978 /nfs/dbraw/zinc/73/89/78/979738978.db2.gz XZXQZNGPSHCLAI-AWEZNQCLSA-N -1 0 335.419 3.546 20 0 EHADRM CC(C)N(C(=O)CNc1ccc(C[C@@H](C)C(=O)[O-])cc1)C1CCCC1 ZINC001592877314 979744031 /nfs/dbraw/zinc/74/40/31/979744031.db2.gz JPASOJXLBDZBHP-OAHLLOKOSA-N -1 0 346.471 3.541 20 0 EHADRM C[C@H](Cc1ccc(NCc2cccnc2C(F)(F)F)cc1)C(=O)[O-] ZINC001592878284 979749363 /nfs/dbraw/zinc/74/93/63/979749363.db2.gz ZRYMOHLINGDYIZ-LLVKDONJSA-N -1 0 338.329 3.976 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)N1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC001592883427 979760503 /nfs/dbraw/zinc/76/05/03/979760503.db2.gz QPSJQKLTWLFMJH-XPCVCDNBSA-N -1 0 337.847 3.619 20 0 EHADRM CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000864157974 979769780 /nfs/dbraw/zinc/76/97/80/979769780.db2.gz XCHYNCRGAAOTCU-GOSISDBHSA-N -1 0 341.407 3.925 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1c(F)ccc(F)c1C(=O)[O-] ZINC001592885985 979772551 /nfs/dbraw/zinc/77/25/51/979772551.db2.gz WVJMKHBWEVWERK-VIFPVBQESA-N -1 0 337.297 3.619 20 0 EHADRM Oc1ccc(F)c(CNCCOc2cccc(C(F)(F)F)c2)c1F ZINC000510064952 1014600854 /nfs/dbraw/zinc/60/08/54/1014600854.db2.gz MDRWDOVDNFTKSN-UHFFFAOYSA-N -1 0 347.283 3.858 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001592891440 979783647 /nfs/dbraw/zinc/78/36/47/979783647.db2.gz PHGXPXZMENDRSQ-LLVKDONJSA-N -1 0 349.789 3.924 20 0 EHADRM C[C@H](Cc1ccccc1Cl)NC(=O)NCCCCCCC(=O)[O-] ZINC001592892172 979789711 /nfs/dbraw/zinc/78/97/11/979789711.db2.gz WOXFJZXLBKMKOS-CYBMUJFWSA-N -1 0 340.851 3.605 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)Nc1cccc(C(=O)[O-])c1Cl ZINC001592896037 979794174 /nfs/dbraw/zinc/79/41/74/979794174.db2.gz DHNTZNONAFOLTO-JTQLQIEISA-N -1 0 335.762 3.995 20 0 EHADRM O=C([O-])c1ccc(F)c2c1CN(C(=O)C1CCCCCCC1)CC2 ZINC000864170002 979797341 /nfs/dbraw/zinc/79/73/41/979797341.db2.gz TUHIQFNWIPMRHG-UHFFFAOYSA-N -1 0 333.403 3.769 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@H](Cc3ccccc3)[C@H]2C)cc1C(=O)[O-] ZINC000864177079 979821086 /nfs/dbraw/zinc/82/10/86/979821086.db2.gz FGMTVZSAZQPLOV-NVXWUHKLSA-N -1 0 337.419 3.787 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)cc1C(=O)[O-] ZINC000864177413 979822118 /nfs/dbraw/zinc/82/21/18/979822118.db2.gz DRVHPWMFXZLAFU-HNNXBMFYSA-N -1 0 343.810 3.976 20 0 EHADRM Cc1ccc(C(=O)N[C@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])s1 ZINC000864197300 979864435 /nfs/dbraw/zinc/86/44/35/979864435.db2.gz XVAHVWBZWDDPHZ-MRXNPFEDSA-N -1 0 337.828 3.526 20 0 EHADRM Cc1c(C(=O)N[C@@](C)(CC(=O)[O-])C2CC2)sc2cccc(F)c12 ZINC000864198248 979868720 /nfs/dbraw/zinc/86/87/20/979868720.db2.gz SRXLVUZAWZKINL-KRWDZBQOSA-N -1 0 335.400 3.722 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)N[C@](C)(CC(=O)[O-])C1CC1 ZINC000864199181 979872787 /nfs/dbraw/zinc/87/27/87/979872787.db2.gz DYQJIZDWKSTDGZ-OXJNMPFZSA-N -1 0 347.455 3.727 20 0 EHADRM C[C@@H](CC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)[C@@H]1CCCO1 ZINC000864225365 979909599 /nfs/dbraw/zinc/90/95/99/979909599.db2.gz RORLPJIUSIKTPH-SJCJKPOMSA-N -1 0 327.380 3.682 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)[C@H]2CCCC[C@H]2C2CC2)c2ccccc21 ZINC000864226810 979913703 /nfs/dbraw/zinc/91/37/03/979913703.db2.gz RALOXFHFJLTBHS-VYDXJSESSA-N -1 0 327.424 3.808 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)C[C@H]2CCc3ccccc32)c1 ZINC000864229028 979922220 /nfs/dbraw/zinc/92/22/20/979922220.db2.gz HUAKPZRCAJLDON-APWZRJJASA-N -1 0 337.419 3.747 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)[C@@H](C)c2ccccc2F)c1 ZINC000864230369 979927899 /nfs/dbraw/zinc/92/78/99/979927899.db2.gz WJAMEGYRCCJLIY-GUYCJALGSA-N -1 0 329.371 3.570 20 0 EHADRM CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(CC(=O)[O-])C(C)C ZINC001595204809 979979396 /nfs/dbraw/zinc/97/93/96/979979396.db2.gz PFKMDXJJNUJLIQ-ZDUSSCGKSA-N -1 0 345.361 3.596 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)NCC(C)(C)CC(=O)[O-] ZINC001595205508 979980050 /nfs/dbraw/zinc/98/00/50/979980050.db2.gz TXIQMXSIOSJVNW-KRWDZBQOSA-N -1 0 348.487 3.849 20 0 EHADRM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001595205198 979980129 /nfs/dbraw/zinc/98/01/29/979980129.db2.gz RRJHUQANSFDYDU-HRCADAONSA-N -1 0 337.847 3.668 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001595210116 979983466 /nfs/dbraw/zinc/98/34/66/979983466.db2.gz CKQKCQJAHNAZAO-KRWDZBQOSA-N -1 0 331.456 3.858 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC001595210767 979985815 /nfs/dbraw/zinc/98/58/15/979985815.db2.gz KGXBYOYZIBUGKN-FUHWJXTLSA-N -1 0 331.456 3.653 20 0 EHADRM Cc1ccc(CN2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1C(=O)[O-] ZINC000872157896 980040339 /nfs/dbraw/zinc/04/03/39/980040339.db2.gz VYMACFSFFNRUDV-SFHVURJKSA-N -1 0 347.361 3.545 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)Nc1nc(C)c(C(=O)[O-])s1 ZINC001595219923 980043156 /nfs/dbraw/zinc/04/31/56/980043156.db2.gz SMRDGQINTJBORM-GFCCVEGCSA-N -1 0 332.425 3.666 20 0 EHADRM CC[C@@](NC(=O)[C@H](C)c1ccc(F)cc1F)(C(=O)[O-])c1ccccc1 ZINC001595232858 980127899 /nfs/dbraw/zinc/12/78/99/980127899.db2.gz KNUSYTRLWAXNNH-BLVKFPJESA-N -1 0 347.361 3.575 20 0 EHADRM CC[C@H](NC(=O)C1(c2ccc(Cl)cc2Cl)CCCC1)C(=O)[O-] ZINC001595236543 980136771 /nfs/dbraw/zinc/13/67/71/980136771.db2.gz HMGVKQDQBZIQLI-ZDUSSCGKSA-N -1 0 344.238 3.785 20 0 EHADRM CC[C@H](NC(=O)/C=C\c1cc(C(=O)[O-])co1)c1cc(C)ccc1C ZINC001595237543 980146763 /nfs/dbraw/zinc/14/67/63/980146763.db2.gz KZVYHFXHVITZHB-QWPQOLDESA-N -1 0 327.380 3.875 20 0 EHADRM CC[C@@](NC(=O)[C@H]1CCCC12CC2)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595237873 980151431 /nfs/dbraw/zinc/15/14/31/980151431.db2.gz YCJRDSGKJXWFAP-KDOFPFPSSA-N -1 0 335.831 3.726 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1cccc(COc2ccccc2)c1 ZINC000872837796 980159081 /nfs/dbraw/zinc/15/90/81/980159081.db2.gz LHCJWTDPVZZOBN-CQSZACIVSA-N -1 0 327.380 3.705 20 0 EHADRM C[C@H](NC(=O)/C(F)=C\C1CCCCC1)c1ccc(OCC(=O)[O-])cc1 ZINC001592994487 980204643 /nfs/dbraw/zinc/20/46/43/980204643.db2.gz ZTRMHFSGGDXGBW-HNEYUBDGSA-N -1 0 349.402 3.761 20 0 EHADRM C[C@@](NC(=O)[C@H]1CC12CCC2)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593003035 980217238 /nfs/dbraw/zinc/21/72/38/980217238.db2.gz OPPBRHKXLIUDNA-BMIGLBTASA-N -1 0 342.222 3.600 20 0 EHADRM Cc1sc([N-]S(=O)(=O)c2cccc3cccnc32)nc1C(C)C ZINC000584302900 1032098815 /nfs/dbraw/zinc/09/88/15/1032098815.db2.gz QNKOTIKRQNXWFG-UHFFFAOYSA-N -1 0 347.465 3.924 20 0 EHADRM O=C([O-])c1cc2n(n1)CCC[C@H]2NCc1cc(Cl)sc1Cl ZINC000900070558 980243124 /nfs/dbraw/zinc/24/31/24/980243124.db2.gz MLIMGBPRFCUBHJ-MRVPVSSYSA-N -1 0 346.239 3.574 20 0 EHADRM CC[C@](NC(=O)c1cc(NC)ccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001595264976 980272942 /nfs/dbraw/zinc/27/29/42/980272942.db2.gz HCKAPNUMXNUHNE-GOSISDBHSA-N -1 0 346.814 3.502 20 0 EHADRM C[C@H](NC(=O)Cc1cccc(C(=O)[O-])c1)c1ccc(Cl)c(F)c1 ZINC001593039913 980320728 /nfs/dbraw/zinc/32/07/28/980320728.db2.gz HXYNQKLUNUCSEX-JTQLQIEISA-N -1 0 335.762 3.597 20 0 EHADRM C[C@@H](NC(=O)Cc1cccc(C(=O)[O-])c1)c1c(F)cccc1Cl ZINC001593040766 980325966 /nfs/dbraw/zinc/32/59/66/980325966.db2.gz XLZKFMXGCXXVSH-SNVBAGLBSA-N -1 0 335.762 3.597 20 0 EHADRM C[C@@H](NC(=O)N(C)C1CCC(C)(C)CC1)c1ncc(C(=O)[O-])s1 ZINC001593052078 980352041 /nfs/dbraw/zinc/35/20/41/980352041.db2.gz VOBVZJPGKHPMPX-SNVBAGLBSA-N -1 0 339.461 3.513 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NCc2cccc3c2OCCCO3)c1 ZINC000901814453 980535965 /nfs/dbraw/zinc/53/59/65/980535965.db2.gz IDCYVEODVXTHFB-CYBMUJFWSA-N -1 0 327.380 3.648 20 0 EHADRM C[C@@H]([NH2+]Cc1nc(C(C)(C)C)cs1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000901877905 980593128 /nfs/dbraw/zinc/59/31/28/980593128.db2.gz XJWLXFJLFULQNT-HIFRSBDPSA-N -1 0 346.496 3.862 20 0 EHADRM CC[C@H](OC(=O)c1ccc(Oc2ccccc2)cn1)[C@H](C)C(=O)[O-] ZINC001595351757 980660373 /nfs/dbraw/zinc/66/03/73/980660373.db2.gz LGSSXUSMTINBPW-LRDDRELGSA-N -1 0 329.352 3.530 20 0 EHADRM CC[C@H](OC(=O)c1csc(-c2ccc(C(C)C)cc2)n1)C(=O)[O-] ZINC001595352542 980669836 /nfs/dbraw/zinc/66/98/36/980669836.db2.gz BIQIBBNOCVBZLV-AWEZNQCLSA-N -1 0 333.409 3.954 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)Nc1c(F)ccc(F)c1C(=O)[O-] ZINC001595356310 980710815 /nfs/dbraw/zinc/71/08/15/980710815.db2.gz AERYWBRXGMJMFT-ZDUSSCGKSA-N -1 0 349.333 3.768 20 0 EHADRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1Cc1ncc(Cl)s1 ZINC000902047903 980713152 /nfs/dbraw/zinc/71/31/52/980713152.db2.gz UPEOMUQJRKLNNO-NWDGAFQWSA-N -1 0 328.865 3.652 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC001595356866 980716842 /nfs/dbraw/zinc/71/68/42/980716842.db2.gz QSRAHYXTZXYWLL-MRXNPFEDSA-N -1 0 331.343 3.628 20 0 EHADRM CC[C@@H](Oc1ccccc1F)C(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001595358032 980728651 /nfs/dbraw/zinc/72/86/51/980728651.db2.gz YQWAMUZVMLRVJU-OAHLLOKOSA-N -1 0 331.343 3.628 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)N1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC001595358901 980736290 /nfs/dbraw/zinc/73/62/90/980736290.db2.gz UPUKABQOCNGMHQ-FQLMCAECSA-N -1 0 335.469 3.658 20 0 EHADRM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC001595360232 980750109 /nfs/dbraw/zinc/75/01/09/980750109.db2.gz SOFIQSYPIYYTOD-HNNXBMFYSA-N -1 0 345.399 3.645 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccc(C(C)C)nc1 ZINC001595360481 980752589 /nfs/dbraw/zinc/75/25/89/980752589.db2.gz IEDARCNWUQFTAR-GOSISDBHSA-N -1 0 340.423 3.883 20 0 EHADRM C[C@H](Nc1ccc(N2CCc3sccc3C2)cc1)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000902204712 980782994 /nfs/dbraw/zinc/78/29/94/980782994.db2.gz XBQDHDNBJABJKM-ZLIFDBKOSA-N -1 0 342.464 3.832 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CNc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000902234020 980793847 /nfs/dbraw/zinc/79/38/47/980793847.db2.gz MRANRGXUMNXVOA-AWEZNQCLSA-N -1 0 349.358 3.595 20 0 EHADRM CC[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC001595364501 980794545 /nfs/dbraw/zinc/79/45/45/980794545.db2.gz WVHRNTBXXWXJTM-GUYCJALGSA-N -1 0 341.411 3.885 20 0 EHADRM CC(=O)N(Cc1ccc(NCc2cc(C(=O)[O-])cs2)cc1)C(C)C ZINC000902280314 980814733 /nfs/dbraw/zinc/81/47/33/980814733.db2.gz CQCAMJVCHZFSMJ-UHFFFAOYSA-N -1 0 346.452 3.815 20 0 EHADRM CCC1(C(=O)Nc2ccc(O[C@H](C)C(=O)[O-])c(F)c2)CCCCC1 ZINC001595368026 980822001 /nfs/dbraw/zinc/82/20/01/980822001.db2.gz QQVHPZCZMVTTDX-GFCCVEGCSA-N -1 0 337.391 3.977 20 0 EHADRM O=C([O-])c1cccc(CN(CCC(F)(F)F)Cc2ccccc2)n1 ZINC000902353007 980846951 /nfs/dbraw/zinc/84/69/51/980846951.db2.gz DXIBPVFAPYRAHC-UHFFFAOYSA-N -1 0 338.329 3.734 20 0 EHADRM C[C@H](CC(C)(C)CC(=O)[O-])N[C@H](C)c1noc(Cc2ccccc2)n1 ZINC000902362161 980852951 /nfs/dbraw/zinc/85/29/51/980852951.db2.gz AELWAAQOFLARKN-ZIAGYGMSSA-N -1 0 345.443 3.591 20 0 EHADRM CCC1(CC)CCCN(C(=O)Nc2cccc(OCC(=O)[O-])c2)CC1 ZINC001595374304 980882305 /nfs/dbraw/zinc/88/23/05/980882305.db2.gz BOVYYQBHPUCINB-UHFFFAOYSA-N -1 0 348.443 3.974 20 0 EHADRM O=C([O-])/C=C\c1ccc(CNC2(c3c(F)cccc3F)CCC2)o1 ZINC000902491544 980908147 /nfs/dbraw/zinc/90/81/47/980908147.db2.gz LRLUZSGNTWBHGN-FPLPWBNLSA-N -1 0 333.334 3.825 20 0 EHADRM CC[C@]1(Cc2ccccc2)CCCN1C(=O)c1ccoc1CC(=O)[O-] ZINC001595383787 980929156 /nfs/dbraw/zinc/92/91/56/980929156.db2.gz FCUAURGADKPLRG-HXUWFJFHSA-N -1 0 341.407 3.534 20 0 EHADRM CC[C@@H]1C[C@@H](CC(=O)O[C@H](C(=O)[O-])c2ccccc2Cl)CCO1 ZINC001595413863 981017503 /nfs/dbraw/zinc/01/75/03/981017503.db2.gz UCJVRVOLCNOLGA-OZVIIMIRSA-N -1 0 340.803 3.604 20 0 EHADRM CCC1CCC(NC(=O)c2c(C)occ2C(F)(F)F)(C(=O)[O-])CC1 ZINC001595422068 981041288 /nfs/dbraw/zinc/04/12/88/981041288.db2.gz KWVQISRAHAVPSH-UHFFFAOYSA-N -1 0 347.333 3.760 20 0 EHADRM CCC1CCC(NC(=O)c2cc3ccc(C)cc3[nH]2)(C(=O)[O-])CC1 ZINC001595424660 981042934 /nfs/dbraw/zinc/04/29/34/981042934.db2.gz JILKPDHMHVPFBJ-UHFFFAOYSA-N -1 0 328.412 3.630 20 0 EHADRM CC[C@H]1CCCC[C@@H]1CNC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001595440443 981077241 /nfs/dbraw/zinc/07/72/41/981077241.db2.gz KFLPKWNJRTZTPN-DOTOQJQBSA-N -1 0 332.444 3.743 20 0 EHADRM CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001595443891 981084445 /nfs/dbraw/zinc/08/44/45/981084445.db2.gz DUYLTAYATVOAAG-OIISXLGYSA-N -1 0 332.444 3.779 20 0 EHADRM CC[C@H](CNC(=O)Nc1ccccc1SC(F)(F)F)C(=O)[O-] ZINC000905054793 981087651 /nfs/dbraw/zinc/08/76/51/981087651.db2.gz PXXSTRKZISPEIS-MRVPVSSYSA-N -1 0 336.335 3.531 20 0 EHADRM CC[C@@H]1CCC[C@H]1CNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001595457278 981129007 /nfs/dbraw/zinc/12/90/07/981129007.db2.gz ULRDEKIEYYIUGN-KGLIPLIRSA-N -1 0 332.444 3.997 20 0 EHADRM CC(C)(C)Cc1ncc(C(=O)Nc2ccccc2CC(=O)[O-])s1 ZINC000907585395 981196572 /nfs/dbraw/zinc/19/65/72/981196572.db2.gz QDKTZKLOTUHHRP-UHFFFAOYSA-N -1 0 332.425 3.611 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2ccccc2C2(C)CC2)C1 ZINC000907625820 981201421 /nfs/dbraw/zinc/20/14/21/981201421.db2.gz BEQAXGQBADQBTC-AWEZNQCLSA-N -1 0 329.440 3.701 20 0 EHADRM CC[C@H]1CN(Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)C[C@H](C)O1 ZINC001595489882 981239744 /nfs/dbraw/zinc/23/97/44/981239744.db2.gz WLGMCEKLENGFQU-BBRMVZONSA-N -1 0 329.396 3.644 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000908025458 981253635 /nfs/dbraw/zinc/25/36/35/981253635.db2.gz XBDYHOWKAPCHCV-QWHCGFSZSA-N -1 0 345.361 3.728 20 0 EHADRM CC/C=C(/F)C(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC001595508383 981295972 /nfs/dbraw/zinc/29/59/72/981295972.db2.gz USPZDDDHSAQSKI-HQYXKAPLSA-N -1 0 344.386 3.836 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1cscc1C(F)F)CC1CCCC1 ZINC000908291354 981297698 /nfs/dbraw/zinc/29/76/98/981297698.db2.gz NAUYXAOXBBUVTC-SNVBAGLBSA-N -1 0 331.384 3.697 20 0 EHADRM CC(C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1)=C1CCC1 ZINC000908420069 981316475 /nfs/dbraw/zinc/31/64/75/981316475.db2.gz SSKSDSQAKDBWAX-AWEZNQCLSA-N -1 0 341.329 3.838 20 0 EHADRM O=C([O-])C12CCC(C(=O)Nc3ccc(SC(F)F)cc3)(CC1)C2 ZINC000908688730 981339674 /nfs/dbraw/zinc/33/96/74/981339674.db2.gz XHCJHPJSNITJOQ-UHFFFAOYSA-N -1 0 341.379 3.975 20 0 EHADRM CC/C=C\CNC(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC001595521555 981341845 /nfs/dbraw/zinc/34/18/45/981341845.db2.gz ZBYOTRIQRVGSBT-PLNGDYQASA-N -1 0 341.205 3.543 20 0 EHADRM CC(C)[C@H](NC(=O)c1ccoc1CC(=O)[O-])c1ccc(Cl)cc1 ZINC000908708645 981343752 /nfs/dbraw/zinc/34/37/52/981343752.db2.gz ZCNINPQOTFZBSN-INIZCTEOSA-N -1 0 335.787 3.687 20 0 EHADRM CC(C)[C@@H](CNC(=O)C12CCC(C(=O)[O-])(CC1)C2)c1ccccc1 ZINC000908737268 981350550 /nfs/dbraw/zinc/35/05/50/981350550.db2.gz SGKKIEYTQRNGJN-PBPGXSGUSA-N -1 0 329.440 3.578 20 0 EHADRM Cc1ccccc1[C@H]1CCN(C(=O)c2ccccc2CCC(=O)[O-])C1 ZINC000908772383 981359012 /nfs/dbraw/zinc/35/90/12/981359012.db2.gz ZUQZHBTTZLEUHZ-KRWDZBQOSA-N -1 0 337.419 3.642 20 0 EHADRM O=C([O-])C[C@H](NCc1cccc(F)c1F)c1ccc(F)cc1F ZINC000683173103 1014728208 /nfs/dbraw/zinc/72/82/08/1014728208.db2.gz JNCZZFWZRNHDJI-AWEZNQCLSA-N -1 0 327.277 3.549 20 0 EHADRM Cc1ccc([C@H]2CCCCN2C(=O)c2csc(C(=O)[O-])n2)cc1 ZINC000908801096 981365232 /nfs/dbraw/zinc/36/52/32/981365232.db2.gz ZOLXWAGCHHNIDL-CQSZACIVSA-N -1 0 330.409 3.517 20 0 EHADRM CCC[C@@H](C(=O)NCC(C)(C)CC(=O)[O-])c1cccc(Cl)c1 ZINC001595536044 981379974 /nfs/dbraw/zinc/37/99/74/981379974.db2.gz NDXBIQLMHUOOCG-CQSZACIVSA-N -1 0 325.836 3.841 20 0 EHADRM CCC[C@@H](C(=O)O[C@H](C(=O)[O-])c1cccc(C)c1C)c1ccccn1 ZINC001595537080 981385632 /nfs/dbraw/zinc/38/56/32/981385632.db2.gz GQNXIQPVFVYUJF-AEFFLSMTSA-N -1 0 341.407 3.951 20 0 EHADRM CC(C)(CC(=O)N[C@H](CCC(=O)[O-])c1ccccc1)CC(F)F ZINC000908937038 981389726 /nfs/dbraw/zinc/38/97/26/981389726.db2.gz QKSUEMZGDSRCBI-CYBMUJFWSA-N -1 0 327.371 3.780 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)Cc1cccc(C(F)F)c1)c1ccccc1 ZINC000908942546 981390670 /nfs/dbraw/zinc/39/06/70/981390670.db2.gz GIYPFAQSZPVTRU-MRXNPFEDSA-N -1 0 347.361 3.889 20 0 EHADRM C[C@H](c1ccc(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)cc1)C(F)(F)F ZINC000908968462 981393330 /nfs/dbraw/zinc/39/33/30/981393330.db2.gz ICEVPECMDODKHR-BXKDBHETSA-N -1 0 331.334 3.582 20 0 EHADRM CCCC(C)(C)CC(=O)N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC001595538759 981393792 /nfs/dbraw/zinc/39/37/92/981393792.db2.gz QBXGQIOEIODDFE-UHFFFAOYSA-N -1 0 338.473 3.764 20 0 EHADRM CCC[C@H](C(=O)Nc1cc(C(=O)[O-])c[nH]c1=O)c1ccc(Cl)cc1 ZINC001595538886 981395561 /nfs/dbraw/zinc/39/55/61/981395561.db2.gz XFBPTZMEKAMSDQ-ZDUSSCGKSA-N -1 0 348.786 3.661 20 0 EHADRM CCC[C@H](C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)c1cccc(Cl)c1 ZINC001595539155 981396920 /nfs/dbraw/zinc/39/69/20/981396920.db2.gz YKGCLXOAVXTJDH-XLTGGDBASA-N -1 0 349.858 3.839 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Cc1cccc(C(F)F)c1)c1ccccc1 ZINC000909062482 981409125 /nfs/dbraw/zinc/40/91/25/981409125.db2.gz HKNLHSGOSZQMHC-SJKOYZFVSA-N -1 0 347.361 3.745 20 0 EHADRM CCC[C@](C)(NC(=O)CCSc1cccc(Cl)c1)C(=O)[O-] ZINC001595547450 981420838 /nfs/dbraw/zinc/42/08/38/981420838.db2.gz PMQZKKXEBRDHLF-HNNXBMFYSA-N -1 0 329.849 3.582 20 0 EHADRM CCC[C@@](C)(NC(=O)c1cc2c(ccc3ccccc23)o1)C(=O)[O-] ZINC001595553040 981426459 /nfs/dbraw/zinc/42/64/59/981426459.db2.gz KKGKMUJKWBGYCK-LJQANCHMSA-N -1 0 325.364 3.959 20 0 EHADRM CCC[C@](C)(NC(=O)c1ccc(Oc2ccc(C)cn2)cc1)C(=O)[O-] ZINC001595553853 981432547 /nfs/dbraw/zinc/43/25/47/981432547.db2.gz RCAWQHPZSPBGQK-IBGZPJMESA-N -1 0 342.395 3.556 20 0 EHADRM CCC[C@](C)(NC(=O)c1csc(-c2ccc(CC)cc2)n1)C(=O)[O-] ZINC001595553996 981433869 /nfs/dbraw/zinc/43/38/69/981433869.db2.gz QNOTUZYKXUWYIK-SFHVURJKSA-N -1 0 346.452 3.746 20 0 EHADRM Cn1cc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c(C2CCCC2)n1 ZINC000909272709 981456442 /nfs/dbraw/zinc/45/64/42/981456442.db2.gz RWFQFCJQKRDNGC-UHFFFAOYSA-N -1 0 347.802 3.682 20 0 EHADRM Cc1cc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)nn1[C@H](C)C1CC1 ZINC000909273357 981456834 /nfs/dbraw/zinc/45/68/34/981456834.db2.gz ZYXWNRFQVIZMEE-SNVBAGLBSA-N -1 0 347.802 3.766 20 0 EHADRM Cc1c(C(=O)Nc2ccc(CCC(=O)[O-])cc2)cnn1CCC(C)C ZINC000909286079 981459122 /nfs/dbraw/zinc/45/91/22/981459122.db2.gz NTHSEQCBWRZXOM-UHFFFAOYSA-N -1 0 343.427 3.507 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2ccccc2OC2CC2)cc1 ZINC000909288641 981460138 /nfs/dbraw/zinc/46/01/38/981460138.db2.gz SQGNTGQAGNLLJO-UHFFFAOYSA-N -1 0 339.391 3.842 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C(C)(C)C2CCC(O)CC2)cc1 ZINC000909298773 981464723 /nfs/dbraw/zinc/46/47/23/981464723.db2.gz WTSMKIGNHYZSID-UHFFFAOYSA-N -1 0 347.455 3.565 20 0 EHADRM CCC[C@H](C)[C@@H]1CCCN1C(=O)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC001595571910 981481625 /nfs/dbraw/zinc/48/16/25/981481625.db2.gz MFKQKGRRQWSTFG-GUYCJALGSA-N -1 0 348.443 3.964 20 0 EHADRM O=C([O-])Cc1occc1C(=O)Nc1cccc(C2SCCS2)c1 ZINC000909398143 981483492 /nfs/dbraw/zinc/48/34/92/981483492.db2.gz FVZWNKFJQQWROV-UHFFFAOYSA-N -1 0 349.433 3.638 20 0 EHADRM CCC[C@H](C)CCNS(=O)(=O)c1ccc(C(=O)[O-])c2ccccc21 ZINC001595573416 981488555 /nfs/dbraw/zinc/48/85/55/981488555.db2.gz LHMKPGVYKOWWPK-ZDUSSCGKSA-N -1 0 349.452 3.643 20 0 EHADRM CCC[C@@H](C)CCNC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001595575326 981496055 /nfs/dbraw/zinc/49/60/55/981496055.db2.gz ZBOXQQCIIHWWNK-CQSZACIVSA-N -1 0 347.459 3.933 20 0 EHADRM CC(C)(C)OC1CC(CC(=O)Nc2cccc(CCC(=O)[O-])c2)C1 ZINC000909512013 981518936 /nfs/dbraw/zinc/51/89/36/981518936.db2.gz ZVIBBPGQLUBOIS-UHFFFAOYSA-N -1 0 333.428 3.626 20 0 EHADRM COc1cccc2c1[C@@H](C(=O)Nc1cc(C(=O)[O-])c(C)cc1C)CC2 ZINC000909514355 981521416 /nfs/dbraw/zinc/52/14/16/981521416.db2.gz ZRNUHEGJHBOBFR-AWEZNQCLSA-N -1 0 339.391 3.679 20 0 EHADRM CCC[C@H](CC(C)C)C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001595585739 981526103 /nfs/dbraw/zinc/52/61/03/981526103.db2.gz BPVRITUYJASXKE-LLVKDONJSA-N -1 0 339.457 3.920 20 0 EHADRM CCC[C@@H](CC1CCCCC1)C(=O)NCc1ncc(C(=O)[O-])s1 ZINC001595587890 981544749 /nfs/dbraw/zinc/54/47/49/981544749.db2.gz ZIYRWBKWZMABIX-ZDUSSCGKSA-N -1 0 338.473 3.844 20 0 EHADRM CCC[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])c2ccccc12)OCC ZINC001595592939 981553947 /nfs/dbraw/zinc/55/39/47/981553947.db2.gz OFBCCAHLQMZLGP-ZDUSSCGKSA-N -1 0 344.411 3.865 20 0 EHADRM CCC[C@H](NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)C1CCCC1 ZINC001595597914 981565913 /nfs/dbraw/zinc/56/59/13/981565913.db2.gz DADYGMWAIJAFPN-KRWDZBQOSA-N -1 0 332.444 3.885 20 0 EHADRM CCC[C@@H](NC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1)c1ccccc1 ZINC001595598247 981567467 /nfs/dbraw/zinc/56/74/67/981567467.db2.gz IEAIHPJTNUUFAE-QGZVFWFLSA-N -1 0 344.411 3.969 20 0 EHADRM CCC[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C)C(C)(C)C ZINC001595600129 981577011 /nfs/dbraw/zinc/57/70/11/981577011.db2.gz LFLAPBFDSNQGPM-HNNXBMFYSA-N -1 0 335.448 3.787 20 0 EHADRM C[C@H](c1ccc(C(=O)NC2(CC(=O)[O-])CCCC2)cc1)C(F)(F)F ZINC000909708677 981578493 /nfs/dbraw/zinc/57/84/93/981578493.db2.gz OSJHZUJLOOIAGM-LLVKDONJSA-N -1 0 343.345 3.870 20 0 EHADRM CCC[C@H](NC(=O)Nc1ccc(OCCC(=O)[O-])cc1)C(C)(C)C ZINC001595600474 981580524 /nfs/dbraw/zinc/58/05/24/981580524.db2.gz QLQVXQBAHXKRFM-HNNXBMFYSA-N -1 0 336.432 3.876 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)C12CCC(C(=O)[O-])(CC1)CC2)C(F)(F)F ZINC000909728793 981582592 /nfs/dbraw/zinc/58/25/92/981582592.db2.gz DHFHICMRJPAJEO-SOISORPOSA-N -1 0 349.393 3.895 20 0 EHADRM CCC[C@@H](NC(=O)NCc1ccc(C(=O)[O-])cc1F)C1CCCC1 ZINC001595600759 981583106 /nfs/dbraw/zinc/58/31/06/981583106.db2.gz WRWWHAMEAMRSMM-MRXNPFEDSA-N -1 0 336.407 3.682 20 0 EHADRM COc1cc(C)c(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1F ZINC000909729919 981583351 /nfs/dbraw/zinc/58/33/51/981583351.db2.gz XVHCLIZNSCTWOZ-UHFFFAOYSA-N -1 0 335.375 3.506 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC000909731346 981584790 /nfs/dbraw/zinc/58/47/90/981584790.db2.gz QWKNDGQBSYZLPV-UHFFFAOYSA-N -1 0 345.399 3.512 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)s1 ZINC000909760454 981591548 /nfs/dbraw/zinc/59/15/48/981591548.db2.gz AMPMMNPYWYRBGN-CQSZACIVSA-N -1 0 349.374 3.525 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC001594741635 981612788 /nfs/dbraw/zinc/61/27/88/981612788.db2.gz ZBDRONPNUBXPKL-GFCCVEGCSA-N -1 0 342.222 3.720 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC001594747994 981641439 /nfs/dbraw/zinc/64/14/39/981641439.db2.gz OJBGIEWBQYIAAG-YJBOKZPZSA-N -1 0 337.375 3.749 20 0 EHADRM CC[C@@](O)(CC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1)c1ccccc1 ZINC000909831729 981648936 /nfs/dbraw/zinc/64/89/36/981648936.db2.gz CTYZNJCSGDYFQK-JLTOFOAXSA-N -1 0 341.407 3.501 20 0 EHADRM Cc1ccccc1NCCC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000909836308 981656521 /nfs/dbraw/zinc/65/65/21/981656521.db2.gz ONSIUIXWEDQYQD-AWEZNQCLSA-N -1 0 326.396 3.624 20 0 EHADRM CCC[C@@]1(COC)CCCN1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001595618294 981664280 /nfs/dbraw/zinc/66/42/80/981664280.db2.gz RAGCISVFSFWSPM-IBGZPJMESA-N -1 0 348.443 3.517 20 0 EHADRM O=C([O-])CC[C@@H](CC1CCCCC1)NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC000909843869 981666830 /nfs/dbraw/zinc/66/68/30/981666830.db2.gz JVAVBULWFWSROH-OKZBNKHCSA-N -1 0 344.455 3.505 20 0 EHADRM O=C([O-])CC[C@H](CC1CCCCC1)NC(=O)CCCc1ccccn1 ZINC000909844392 981667443 /nfs/dbraw/zinc/66/74/43/981667443.db2.gz MYYMOQZSGKJHFF-GOSISDBHSA-N -1 0 346.471 3.724 20 0 EHADRM C[C@H](C(=O)NC[C@H](CC1CC1)C(=O)[O-])c1ccc2ccccc2c1 ZINC000909881733 981696004 /nfs/dbraw/zinc/69/60/04/981696004.db2.gz QLHXBTPBIWVNNE-UGSOOPFHSA-N -1 0 325.408 3.560 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)CC1(C(F)(F)F)CC1)c1ccccc1 ZINC001594767821 981726393 /nfs/dbraw/zinc/72/63/93/981726393.db2.gz IZKYYRNTGGSTNB-GFCCVEGCSA-N -1 0 329.318 3.615 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1cccc2cccnc21)c1ccccc1 ZINC001594771141 981745744 /nfs/dbraw/zinc/74/57/44/981745744.db2.gz PRPVQQVWIIQCBP-KRWDZBQOSA-N -1 0 334.375 3.745 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1ccc(C)c(C(C)=O)c1)c1ccccc1 ZINC001594771441 981748137 /nfs/dbraw/zinc/74/81/37/981748137.db2.gz YSVUCIMHZNKQGQ-GOSISDBHSA-N -1 0 339.391 3.708 20 0 EHADRM Cc1ccsc1CCCC(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000910065693 981751483 /nfs/dbraw/zinc/75/14/83/981751483.db2.gz FPZBKJDNPGDJPR-UHFFFAOYSA-N -1 0 343.448 3.662 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@@H](C)CSc1ccccc1 ZINC001594778019 981771742 /nfs/dbraw/zinc/77/17/42/981771742.db2.gz HOVZGNDGXXQKLL-IFXJQAMLSA-N -1 0 349.496 3.907 20 0 EHADRM CCCC[C@@H](C(=O)N[C@@](C)(CC(=O)[O-])c1cccc(OC)c1)C(C)C ZINC001595627754 981775907 /nfs/dbraw/zinc/77/59/07/981775907.db2.gz RXJSUVBEBBQFKA-XLIONFOSSA-N -1 0 349.471 3.964 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)C(F)(F)c1ccccc1C ZINC001594779538 981781012 /nfs/dbraw/zinc/78/10/12/981781012.db2.gz AQFUVKPECIWODD-KRWDZBQOSA-N -1 0 339.382 3.579 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)C/C=C/c1ccc(F)cc1 ZINC001594782412 981790516 /nfs/dbraw/zinc/79/05/16/981790516.db2.gz OYVQGCBVIHKKEH-PXPVJAHISA-N -1 0 333.403 3.721 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CCO1 ZINC000910298218 981852670 /nfs/dbraw/zinc/85/26/70/981852670.db2.gz JZGFCWHMCSEAKK-RUGDWHBFSA-N -1 0 345.439 3.655 20 0 EHADRM CCCC[C@@H](CC)CC(=O)N1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001595632432 981855494 /nfs/dbraw/zinc/85/54/94/981855494.db2.gz XACNJBFNHDMKQA-CQSZACIVSA-N -1 0 333.428 3.712 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc2c(c1)CCC=C2 ZINC001594792721 981862323 /nfs/dbraw/zinc/86/23/23/981862323.db2.gz PJPHVECNHDIEJY-FQEVSTJZSA-N -1 0 327.424 3.752 20 0 EHADRM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)CC1 ZINC001594796495 981877753 /nfs/dbraw/zinc/87/77/53/981877753.db2.gz BAVQYSIBBUHJMK-OKLHXDLCSA-N -1 0 335.488 3.941 20 0 EHADRM CC(C)(C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)C1CCOCC1 ZINC000910359931 981889223 /nfs/dbraw/zinc/88/92/23/981889223.db2.gz PFGPOIAXVGESHV-UHFFFAOYSA-N -1 0 341.407 3.929 20 0 EHADRM CCC(C)(C)OCC(=O)Nc1cc(Cl)c(Cl)cc1C(=O)[O-] ZINC001594808648 981920486 /nfs/dbraw/zinc/92/04/86/981920486.db2.gz WMWYIRFRGCZBNY-UHFFFAOYSA-N -1 0 334.199 3.835 20 0 EHADRM CCCC[C@H](NC(=O)c1cccc2c1ccn2CC(C)C)C(=O)[O-] ZINC001595637115 981926275 /nfs/dbraw/zinc/92/62/75/981926275.db2.gz QNDFLBDMWJEXSF-INIZCTEOSA-N -1 0 330.428 3.671 20 0 EHADRM Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCc3cc(C(=O)[O-])ccc3C2)cc1C ZINC000910500812 981967250 /nfs/dbraw/zinc/96/72/50/981967250.db2.gz ALFBJFFLHGYUJE-VQTJNVASSA-N -1 0 349.430 3.690 20 0 EHADRM C[C@@H](C(=O)N[C@H](CC(=O)[O-])C1CCCC1)c1ccc(Cl)s1 ZINC000910566386 981992611 /nfs/dbraw/zinc/99/26/11/981992611.db2.gz YXGYHHAXEXJBBE-MWLCHTKSSA-N -1 0 329.849 3.655 20 0 EHADRM CCCC[C@@H](OC(=O)c1cc2ccccc2cc1NC(C)=O)C(=O)[O-] ZINC001595645817 981993153 /nfs/dbraw/zinc/99/31/53/981993153.db2.gz VEACGIRKXRAYOL-QGZVFWFLSA-N -1 0 343.379 3.598 20 0 EHADRM CCCC[C@H](OC(=O)c1cc(C)nc2c1cnn2[C@@H](C)CC)C(=O)[O-] ZINC001595650771 982012949 /nfs/dbraw/zinc/01/29/49/982012949.db2.gz NBOKQYMFWKOQCQ-WFASDCNBSA-N -1 0 347.415 3.511 20 0 EHADRM C[C@H](C(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1)C1CC1 ZINC000910620597 982026524 /nfs/dbraw/zinc/02/65/24/982026524.db2.gz PQKRFGXOSHJIOY-NSHDSACASA-N -1 0 326.352 3.557 20 0 EHADRM CCCC[C@H](S[C@H](C)C(=O)Nc1ccc(C)c(F)c1)C(=O)[O-] ZINC001595651853 982026753 /nfs/dbraw/zinc/02/67/53/982026753.db2.gz LOVOKUMEBUMEIK-RISCZKNCSA-N -1 0 327.421 3.838 20 0 EHADRM CCCC[C@H](S[C@@H](C)C(=O)Nc1ccccc1OCC)C(=O)[O-] ZINC001595651961 982028586 /nfs/dbraw/zinc/02/85/86/982028586.db2.gz MZUFVVYGEQFEPG-WFASDCNBSA-N -1 0 339.457 3.789 20 0 EHADRM O=C([O-])CCc1csc(NC(=O)c2cccc(C3CCC3)c2)n1 ZINC000910644992 982037928 /nfs/dbraw/zinc/03/79/28/982037928.db2.gz RHNSKEVFFNKZCP-UHFFFAOYSA-N -1 0 330.409 3.680 20 0 EHADRM CCCC[C@@H](SCC(=O)N(CC)Cc1cccc(F)c1)C(=O)[O-] ZINC001595656357 982052476 /nfs/dbraw/zinc/05/24/76/982052476.db2.gz XKUUZCYOMGVULV-OAHLLOKOSA-N -1 0 341.448 3.551 20 0 EHADRM COc1cccc(CCC(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)c1 ZINC000910697311 982068214 /nfs/dbraw/zinc/06/82/14/982068214.db2.gz RBOUIFRQBMVZTP-UHFFFAOYSA-N -1 0 348.424 3.545 20 0 EHADRM COCCC1(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)CCCC1 ZINC000910697602 982068966 /nfs/dbraw/zinc/06/89/66/982068966.db2.gz SVEKHJQUWWDQRH-UHFFFAOYSA-N -1 0 340.445 3.500 20 0 EHADRM CC(C)c1sc(NC(=O)CCCC2CCOCC2)nc1C(=O)[O-] ZINC000910705830 982075596 /nfs/dbraw/zinc/07/55/96/982075596.db2.gz LPTSTCHZDFOZKA-UHFFFAOYSA-N -1 0 340.445 3.500 20 0 EHADRM C/C(=C/C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1)C(C)(C)C ZINC000910722924 982085808 /nfs/dbraw/zinc/08/58/08/982085808.db2.gz VKBMWTKDCRFCPL-PRDAAYKISA-N -1 0 336.457 3.806 20 0 EHADRM O=C([O-])c1nc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)sc1C1CC1 ZINC000910736113 982098703 /nfs/dbraw/zinc/09/87/03/982098703.db2.gz MGHCSHUDEQXYJH-NWDGAFQWSA-N -1 0 346.383 3.600 20 0 EHADRM O=C([O-])c1nc(NC(=O)c2csc3c2CCCC3)sc1C1CC1 ZINC000910736122 982098920 /nfs/dbraw/zinc/09/89/20/982098920.db2.gz MIAYCDJLQOKJBD-UHFFFAOYSA-N -1 0 348.449 3.911 20 0 EHADRM CCCCC[C@H](C)CC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001595666605 982105600 /nfs/dbraw/zinc/10/56/00/982105600.db2.gz OXLCDVWVSXVKCX-OXJNMPFZSA-N -1 0 331.456 3.848 20 0 EHADRM CCCCC[C@H](CC)C(=O)Nc1cccc(-n2cc(C(=O)[O-])nn2)c1 ZINC001595669974 982116299 /nfs/dbraw/zinc/11/62/99/982116299.db2.gz LLFFKEWOBHPVNI-ZDUSSCGKSA-N -1 0 344.415 3.511 20 0 EHADRM CCCCC[C@H](NC(=O)NC[C@@H](CC(=O)[O-])C1CC1)C(C)(C)C ZINC001595671989 982128614 /nfs/dbraw/zinc/12/86/14/982128614.db2.gz ARIUWMZDJKIMBA-CABCVRRESA-N -1 0 326.481 3.782 20 0 EHADRM CC(C)(CNC(=O)c1ccccc1SC(F)(F)F)CC(=O)[O-] ZINC000910824129 982140369 /nfs/dbraw/zinc/14/03/69/982140369.db2.gz MCRDSCNXSBKMCM-UHFFFAOYSA-N -1 0 335.347 3.529 20 0 EHADRM CC(C)(CNC(=O)c1occc1CSc1ccccc1)CC(=O)[O-] ZINC000910824910 982141253 /nfs/dbraw/zinc/14/12/53/982141253.db2.gz YAJJMGPPCDVSLJ-UHFFFAOYSA-N -1 0 347.436 3.803 20 0 EHADRM CC/C(C)=C(/C)C(=O)N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001594862238 982153890 /nfs/dbraw/zinc/15/38/90/982153890.db2.gz VDLOXHCCLPTQEP-XPSMFNQNSA-N -1 0 329.318 3.694 20 0 EHADRM CCCCC[C@H](NC(=O)c1ccnc(SC(C)(C)C)c1)C(=O)[O-] ZINC001595681275 982161489 /nfs/dbraw/zinc/16/14/89/982161489.db2.gz MVBVHZQQTVHFCA-ZDUSSCGKSA-N -1 0 338.473 3.736 20 0 EHADRM CCCCC[C@@H](NC(=O)c1ccnc(OC2CCCCC2)c1)C(=O)[O-] ZINC001595681589 982163101 /nfs/dbraw/zinc/16/31/01/982163101.db2.gz SARNVLFBPQFEMB-MRXNPFEDSA-N -1 0 348.443 3.556 20 0 EHADRM CCCCC[C@H](NC(=O)c1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC001595681719 982163535 /nfs/dbraw/zinc/16/35/35/982163535.db2.gz TTXSPYXBXRFGHD-ZDUSSCGKSA-N -1 0 332.425 3.573 20 0 EHADRM CC(C)(C)OCc1ccccc1NC(=O)c1cccc(CC(=O)[O-])c1 ZINC000910945015 982170458 /nfs/dbraw/zinc/17/04/58/982170458.db2.gz SHEUDOFTUHJOFD-UHFFFAOYSA-N -1 0 341.407 3.881 20 0 EHADRM CCC[C@H]1C[C@H](C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)CCO1 ZINC000910948369 982173367 /nfs/dbraw/zinc/17/33/67/982173367.db2.gz ZFMGLORFOZLZMJ-YPMHNXCESA-N -1 0 337.441 3.641 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N(Cc2cccc(F)c2)C2CCC2)o1 ZINC000910951665 982174619 /nfs/dbraw/zinc/17/46/19/982174619.db2.gz KSQFXWMSEJEMFP-CSKARUKUSA-N -1 0 343.354 3.711 20 0 EHADRM CSc1ccc(NC(=O)CC2CCSCC2)cc1C(=O)[O-] ZINC000910950657 982174658 /nfs/dbraw/zinc/17/46/58/982174658.db2.gz ZLMLPRSSUNQTKR-UHFFFAOYSA-N -1 0 325.455 3.579 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)c1ccccc1 ZINC001594867095 982178896 /nfs/dbraw/zinc/17/88/96/982178896.db2.gz WAMZBWJUSJNGPZ-REGYPHIPSA-N -1 0 329.440 3.530 20 0 EHADRM CCCCCC[C@H](C)C(=O)Nc1nc(COC)c(C(=O)[O-])s1 ZINC001595694847 982214425 /nfs/dbraw/zinc/21/44/25/982214425.db2.gz IPHTWMCFNOFLKW-JTQLQIEISA-N -1 0 328.434 3.533 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCC[C@]1(C)Cc1ccc(Cl)s1 ZINC000911062990 982220510 /nfs/dbraw/zinc/22/05/10/982220510.db2.gz QXZDDRZQMPVKDC-BDJLRTHQSA-N -1 0 343.876 3.826 20 0 EHADRM CCCCCC[C@H](C)NC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001595698733 982253821 /nfs/dbraw/zinc/25/38/21/982253821.db2.gz UVFBSTXDPUBXEH-CGTJXYLNSA-N -1 0 346.471 3.855 20 0 EHADRM CCCCCC[C@H](C)CC(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001595699156 982255960 /nfs/dbraw/zinc/25/59/60/982255960.db2.gz WTGGHFNXBHUAQZ-UYFTZEKXSA-N -1 0 339.476 3.512 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)CCCc1ccc(CC(C)C)cc1)C(=O)[O-] ZINC001594886710 982266430 /nfs/dbraw/zinc/26/64/30/982266430.db2.gz BMXKOYBOEGRQBH-BEFAXECRSA-N -1 0 333.472 3.823 20 0 EHADRM CCCCCC[C@H](O)CCC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001595703068 982267817 /nfs/dbraw/zinc/26/78/17/982267817.db2.gz PHNFQFDXTOSIBE-ZDUSSCGKSA-N -1 0 325.380 3.574 20 0 EHADRM CCCCCCO[C@@H](C)C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC001595711631 982301616 /nfs/dbraw/zinc/30/16/16/982301616.db2.gz ZSEDWNJAQKQTLV-NSHDSACASA-N -1 0 342.461 3.889 20 0 EHADRM CCCCCOc1cc(C)ccc1CNc1cncc(C(=O)[O-])n1 ZINC001595722250 982340496 /nfs/dbraw/zinc/34/04/96/982340496.db2.gz YPCUENSREWBIKP-UHFFFAOYSA-N -1 0 329.400 3.664 20 0 EHADRM CCCCCn1cc(C(=O)N(C)C[C@H](C)C(=O)[O-])c2ccccc21 ZINC001595727750 982354737 /nfs/dbraw/zinc/35/47/37/982354737.db2.gz KQMAEWZYLRGXBF-AWEZNQCLSA-N -1 0 330.428 3.624 20 0 EHADRM CCCCCn1nc(C)cc1NC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001595728191 982358447 /nfs/dbraw/zinc/35/84/47/982358447.db2.gz WXESMEHTHVHCTB-UHFFFAOYSA-N -1 0 329.400 3.641 20 0 EHADRM O=C([O-])CC1(CC(=O)N2CC[C@@H](c3cccc(F)c3)C2)CCCC1 ZINC000911371898 982389697 /nfs/dbraw/zinc/38/96/97/982389697.db2.gz TYYOBIPLYIGNDA-OAHLLOKOSA-N -1 0 333.403 3.567 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2cc(Cl)ccc2OC(F)F)C1 ZINC000911371841 982390104 /nfs/dbraw/zinc/39/01/04/982390104.db2.gz QCRKVOMVJZTQGU-DTWKUNHWSA-N -1 0 347.745 3.771 20 0 EHADRM CCCCN(C)c1ccc(NC(=O)NCc2cc(C(=O)[O-])co2)cc1 ZINC001595742099 982405415 /nfs/dbraw/zinc/40/54/15/982405415.db2.gz UCMKNXHWLIJWLM-UHFFFAOYSA-N -1 0 345.399 3.536 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1cc(C(C)C)nc2ccccc21)C(=O)[O-] ZINC001594911291 982413785 /nfs/dbraw/zinc/41/37/85/982413785.db2.gz AJWUJOUEXZDPGH-SJCJKPOMSA-N -1 0 328.412 3.587 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N[C@@H]1CCCCC12CCCC2 ZINC000911464269 982445341 /nfs/dbraw/zinc/44/53/41/982445341.db2.gz ZCBWGTCSPDJNHI-QGZVFWFLSA-N -1 0 329.440 3.937 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N[C@H]1CCCCC12CCCC2 ZINC000911464268 982445446 /nfs/dbraw/zinc/44/54/46/982445446.db2.gz ZCBWGTCSPDJNHI-KRWDZBQOSA-N -1 0 329.440 3.937 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CC[C@@H](C2CCCC2)C1)C(=O)[O-] ZINC000911496345 982456129 /nfs/dbraw/zinc/45/61/29/982456129.db2.gz GOHCRMMSISTNLK-DZGCQCFKSA-N -1 0 347.480 3.904 20 0 EHADRM Cc1ccccc1CNc1ccccc1NC(=O)[C@H](C)CC(=O)[O-] ZINC000911513422 982466839 /nfs/dbraw/zinc/46/68/39/982466839.db2.gz YAMVXXABZOMHDN-CQSZACIVSA-N -1 0 326.396 3.656 20 0 EHADRM CCCCO[C@@H]1C[C@H](N(C)[C@@H](C)c2ncc(C(=O)[O-])s2)C1(C)C ZINC001595770322 982507101 /nfs/dbraw/zinc/50/71/01/982507101.db2.gz GRQMTVXMORHACG-FPMFFAJLSA-N -1 0 340.489 3.818 20 0 EHADRM C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000911589640 982521270 /nfs/dbraw/zinc/52/12/70/982521270.db2.gz IMGNTPGPUTXNLV-WPRPVWTQSA-N -1 0 349.736 3.841 20 0 EHADRM CC(C)(CC(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1)C1CC1 ZINC000911597351 982528873 /nfs/dbraw/zinc/52/88/73/982528873.db2.gz GJDSWWXAIBYRQI-UHFFFAOYSA-N -1 0 344.455 3.614 20 0 EHADRM CCCCOc1cccc(NC(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC001595780857 982555551 /nfs/dbraw/zinc/55/55/51/982555551.db2.gz IJRVGPIWWAEYDL-UHFFFAOYSA-N -1 0 342.395 3.885 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N2CCC[C@@H](CC(F)(F)F)C2)cc1 ZINC000911655503 982585290 /nfs/dbraw/zinc/58/52/90/982585290.db2.gz MZBXBDYPWWIQPE-ZDUSSCGKSA-N -1 0 343.345 3.508 20 0 EHADRM CCCCSc1ccc(Cl)cc1C(=O)NCCCC(=O)[O-] ZINC001595791610 982590133 /nfs/dbraw/zinc/59/01/33/982590133.db2.gz FBXSNMFQUZBEAC-UHFFFAOYSA-N -1 0 329.849 3.827 20 0 EHADRM C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000911680457 982602232 /nfs/dbraw/zinc/60/22/32/982602232.db2.gz WXWDWHFVPVDGCZ-SMDDNHRTSA-N -1 0 343.345 3.507 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)CCOc1cc(C)ccc1C(C)C)C(=O)[O-] ZINC001594937929 982603355 /nfs/dbraw/zinc/60/33/55/982603355.db2.gz BOHSTYVIDYKOEU-RHSMWYFYSA-N -1 0 349.471 3.893 20 0 EHADRM CCCCc1nc(C[S@@](=O)Cc2ccccc2C(=O)[O-])cs1 ZINC001595799422 982612960 /nfs/dbraw/zinc/61/29/60/982612960.db2.gz PRXSJXRSSKBEER-QFIPXVFZSA-N -1 0 337.466 3.633 20 0 EHADRM CCOc1cccc(C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)c1 ZINC000911738277 982620822 /nfs/dbraw/zinc/62/08/22/982620822.db2.gz AVMZPMKLXWGZSE-UHFFFAOYSA-N -1 0 343.379 3.823 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)NCCC(C)(C)C1CC1)C(=O)[O-] ZINC000911756642 982633861 /nfs/dbraw/zinc/63/38/61/982633861.db2.gz SXCMVVLMURERGX-GFCCVEGCSA-N -1 0 335.469 3.808 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)c1ccc([C@H](C)C(F)(F)F)cc1)C(=O)[O-] ZINC001594946991 982645829 /nfs/dbraw/zinc/64/58/29/982645829.db2.gz VYCULXGQWQFPGP-MJVIPROJSA-N -1 0 345.361 3.972 20 0 EHADRM COc1ccc2oc(C(=O)Nc3ccc(F)c(C(=O)[O-])c3)c(C)c2c1 ZINC000914729665 982655343 /nfs/dbraw/zinc/65/53/43/982655343.db2.gz MYPFKRPCJPKWGH-UHFFFAOYSA-N -1 0 343.310 3.839 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)c1cncc(-c2ccc(C)cc2)c1)C(=O)[O-] ZINC001594950019 982656290 /nfs/dbraw/zinc/65/62/90/982656290.db2.gz QGDOCGQWVQJUEV-UGSOOPFHSA-N -1 0 340.423 3.676 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000916046986 982670524 /nfs/dbraw/zinc/67/05/24/982670524.db2.gz DYJMHZCHBPJVAD-NSHDSACASA-N -1 0 333.384 3.784 20 0 EHADRM CCCN(C(=O)/C=C(/C)C12CC3CC(CC(C3)C1)C2)[C@@H](C)C(=O)[O-] ZINC001595817980 982683306 /nfs/dbraw/zinc/68/33/06/982683306.db2.gz ZCHJGTFJYQMRSL-FRMMIOGMSA-N -1 0 333.472 3.861 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@@]1(c2ccccc2)CCCO1 ZINC000923075994 982708235 /nfs/dbraw/zinc/70/82/35/982708235.db2.gz NBTONUKJLLPYLM-FQEVSTJZSA-N -1 0 339.391 3.646 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000923094716 982719809 /nfs/dbraw/zinc/71/98/09/982719809.db2.gz NFHDQIKXUOMXMO-CYBMUJFWSA-N -1 0 331.393 3.511 20 0 EHADRM CCCN(C)c1ccc(C(=O)Nc2ccc(C)cc2C(=O)[O-])cc1 ZINC001595839182 982749653 /nfs/dbraw/zinc/74/96/53/982749653.db2.gz AVVSUJKFUUXVCU-UHFFFAOYSA-N -1 0 326.396 3.792 20 0 EHADRM CCCc1ccc(CCCC(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C)cc1 ZINC000923153391 982767220 /nfs/dbraw/zinc/76/72/20/982767220.db2.gz RQTNJZGOWYZSBF-YJBOKZPZSA-N -1 0 331.456 3.674 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])Cc1nc(-c2cccc(OC)c2)cs1 ZINC001594982049 982776623 /nfs/dbraw/zinc/77/66/23/982776623.db2.gz QQKITUDVOGAWCG-GFCCVEGCSA-N -1 0 334.441 3.504 20 0 EHADRM CC[C@@H](C)N1C(=O)N[C@H](c2ccsc2Cl)C(C(=O)[O-])=C1C ZINC001594985628 982807472 /nfs/dbraw/zinc/80/74/72/982807472.db2.gz WKBWVODKSRVPKU-RDDDGLTNSA-N -1 0 328.821 3.625 20 0 EHADRM CC[C@H](C)Oc1cc(C(=O)Nc2ccc(C)c(C)c2C(=O)[O-])ccn1 ZINC001594995981 982896872 /nfs/dbraw/zinc/89/68/72/982896872.db2.gz CHWWOTWCMJKDIW-LBPRGKRZSA-N -1 0 342.395 3.826 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2OC)cc1 ZINC001595000284 982911847 /nfs/dbraw/zinc/91/18/47/982911847.db2.gz UOGHFBDZMGPEPV-LBPRGKRZSA-N -1 0 343.379 3.823 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)c1 ZINC001595007485 982925505 /nfs/dbraw/zinc/92/55/05/982925505.db2.gz CUEIDXCPNUXQJW-JTQLQIEISA-N -1 0 330.384 3.759 20 0 EHADRM CC[C@@H](C)c1ccc(C(=O)Nc2nc(COC)c(C(=O)[O-])s2)cc1 ZINC001595009172 982932962 /nfs/dbraw/zinc/93/29/62/982932962.db2.gz FZFOZEMUOOMFHF-SNVBAGLBSA-N -1 0 348.424 3.754 20 0 EHADRM CC[C@@H](C)c1ccc(C(=O)COC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC001595010476 982940087 /nfs/dbraw/zinc/94/00/87/982940087.db2.gz RCUBQQAWHSQVOH-KBRIMQKVSA-N -1 0 346.423 3.817 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)CSCc2cccs2)c1 ZINC001118011321 982941291 /nfs/dbraw/zinc/94/12/91/982941291.db2.gz IVFOKOCHPJSGQQ-NSHDSACASA-N -1 0 335.450 3.808 20 0 EHADRM CC[C@H](C)c1ccc(C(=O)N(C)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC001595010609 982941981 /nfs/dbraw/zinc/94/19/81/982941981.db2.gz UZCLXVUHQRWKHJ-AWEZNQCLSA-N -1 0 341.407 3.940 20 0 EHADRM CCCOc1cc(C)ccc1NC(=O)NCc1cc(C)c(C(=O)[O-])o1 ZINC001595950801 983123303 /nfs/dbraw/zinc/12/33/03/983123303.db2.gz ZUHCDLUHXHDVRQ-UHFFFAOYSA-N -1 0 346.383 3.705 20 0 EHADRM CCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H](CC)C(=O)[O-] ZINC001595954381 983136800 /nfs/dbraw/zinc/13/68/00/983136800.db2.gz IUVYZZMOOBOYLL-JTQLQIEISA-N -1 0 333.306 3.544 20 0 EHADRM CCCOc1ccc(C(C)(C)NC(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC001595954902 983141821 /nfs/dbraw/zinc/14/18/21/983141821.db2.gz RSNRDHGVBDZZIN-UHFFFAOYSA-N -1 0 341.407 3.839 20 0 EHADRM CCCOc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2CC)c1 ZINC001595967469 983181502 /nfs/dbraw/zinc/18/15/02/983181502.db2.gz XMYUZVHSEVGSGY-UHFFFAOYSA-N -1 0 327.380 3.988 20 0 EHADRM CCCOc1ccccc1NC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595969843 983192754 /nfs/dbraw/zinc/19/27/54/983192754.db2.gz RJDPXEFUUICLQK-JTQLQIEISA-N -1 0 349.412 3.513 20 0 EHADRM CCCc1c(C(=O)OCc2nc(C3CC3)cs2)[nH]c(C)c1C(=O)[O-] ZINC001596048081 983343513 /nfs/dbraw/zinc/34/35/13/983343513.db2.gz AWDNGJMQMFMEIS-UHFFFAOYSA-N -1 0 348.424 3.665 20 0 EHADRM CCCc1c(C(=O)Oc2ccc(OCC)cc2)[nH]c(C)c1C(=O)[O-] ZINC001596048776 983346725 /nfs/dbraw/zinc/34/67/25/983346725.db2.gz VQDJZGTVCOJBCF-UHFFFAOYSA-N -1 0 331.368 3.592 20 0 EHADRM CCCc1cnc(NC(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)s1 ZINC001596081957 983396924 /nfs/dbraw/zinc/39/69/24/983396924.db2.gz HCNGMAWZVQBLSI-SNVBAGLBSA-N -1 0 333.413 3.928 20 0 EHADRM CCCc1nsc(NCCc2cc3ccc(C(=O)[O-])cc3o2)n1 ZINC001596102651 983428008 /nfs/dbraw/zinc/42/80/08/983428008.db2.gz MAKFOSAWPQXVJM-UHFFFAOYSA-N -1 0 331.397 3.590 20 0 EHADRM CCCn1ccc2cc(NC(=O)N3CCC[C@](C)(C(=O)[O-])C3)ccc21 ZINC001596115996 983446441 /nfs/dbraw/zinc/44/64/41/983446441.db2.gz OGMGOJMEPUCIGT-IBGZPJMESA-N -1 0 343.427 3.770 20 0 EHADRM CCCn1ccc2ccc(NC(=O)Nc3cc(C(=O)[O-])n(C)c3)cc21 ZINC001596116220 983446951 /nfs/dbraw/zinc/44/69/51/983446951.db2.gz WFNGNGUDWGBHAE-UHFFFAOYSA-N -1 0 340.383 3.732 20 0 EHADRM CCN(C(=O)[C@H](C)OCc1cccc(C)c1)c1ccccc1C(=O)[O-] ZINC001596131551 983479173 /nfs/dbraw/zinc/47/91/73/983479173.db2.gz OOFRBDAOGXEGMH-HNNXBMFYSA-N -1 0 341.407 3.651 20 0 EHADRM CCN(C(=O)Cc1c(C)cc(C)cc1C)c1ccccc1C(=O)[O-] ZINC001596143547 983497467 /nfs/dbraw/zinc/49/74/67/983497467.db2.gz QBVZWPDWDJOBAT-UHFFFAOYSA-N -1 0 325.408 3.906 20 0 EHADRM CCN(C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F)C1CCC1 ZINC001596149079 983506495 /nfs/dbraw/zinc/50/64/95/983506495.db2.gz JZSUXDCMXOZVEK-ZDUSSCGKSA-N -1 0 344.333 3.572 20 0 EHADRM CCN(C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)[C@H]1CCCOC1 ZINC001596150478 983510132 /nfs/dbraw/zinc/51/01/32/983510132.db2.gz JDGBZQJHYFDOMC-HNNXBMFYSA-N -1 0 342.395 3.571 20 0 EHADRM CCN(C(=O)c1cc(F)cc(C(=O)[O-])c1)[C@H](C)Cc1ccsc1 ZINC001596164534 983527216 /nfs/dbraw/zinc/52/72/16/983527216.db2.gz RTTZYYGKOUHYSF-LLVKDONJSA-N -1 0 335.400 3.679 20 0 EHADRM CCN(C(=O)c1ccc(C(C)(C)C)cn1)c1ccccc1C(=O)[O-] ZINC001596167198 983531795 /nfs/dbraw/zinc/53/17/95/983531795.db2.gz KUHHOBHLYRJHOC-UHFFFAOYSA-N -1 0 326.396 3.744 20 0 EHADRM CCN(C(=O)c1ccc(NCc2ccsc2)cc1)C(C)(C)C(=O)[O-] ZINC001596167324 983532249 /nfs/dbraw/zinc/53/22/49/983532249.db2.gz OOHCGFDNMMLAQF-UHFFFAOYSA-N -1 0 346.452 3.686 20 0 EHADRM CCN(CC(=O)Nc1cccc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC001596209317 983599037 /nfs/dbraw/zinc/59/90/37/983599037.db2.gz DKXKCPYZOCIHRI-UHFFFAOYSA-N -1 0 332.787 3.503 20 0 EHADRM CCN(CCc1ccccc1)C(=O)Nc1cc(C(=O)[O-])sc1C ZINC001596347958 983800877 /nfs/dbraw/zinc/80/08/77/983800877.db2.gz WAUXAZMPIDTDBW-UHFFFAOYSA-N -1 0 332.425 3.851 20 0 EHADRM CCN(Cc1ccccc1F)C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001596371836 983873617 /nfs/dbraw/zinc/87/36/17/983873617.db2.gz ORICXMWATIYCHX-UHFFFAOYSA-N -1 0 330.359 3.886 20 0 EHADRM CCNc1ccc(Cl)cc1NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001596505043 984261651 /nfs/dbraw/zinc/26/16/51/984261651.db2.gz XEFWEYQQBFDKQZ-UHFFFAOYSA-N -1 0 335.791 3.667 20 0 EHADRM CCOC(=O)CC(C)(C)CCN1CCCc2c(C(=O)[O-])cccc21 ZINC001596588339 984525773 /nfs/dbraw/zinc/52/57/73/984525773.db2.gz UEVBGFLJJQJQDC-UHFFFAOYSA-N -1 0 333.428 3.507 20 0 EHADRM Cc1cc(Cl)ccc1NS(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000157534152 1015044815 /nfs/dbraw/zinc/04/48/15/1015044815.db2.gz NSNCMOCSJVXMAT-UHFFFAOYSA-N -1 0 335.734 3.867 20 0 EHADRM C/C(=C/C(=O)Nc1ncc(C(=O)[O-])c2ccccc12)c1ccccc1 ZINC001588947505 984660227 /nfs/dbraw/zinc/66/02/27/984660227.db2.gz YLSXSISMBKNXPR-QBFSEMIESA-N -1 0 332.359 3.975 20 0 EHADRM C/C(=C\C(=O)O[C@@H](C(=O)[O-])C1CC1)c1cccc(C(F)(F)F)c1 ZINC001588952931 984690428 /nfs/dbraw/zinc/69/04/28/984690428.db2.gz FCDRBFGEZMHGFF-RCQQVGEISA-N -1 0 328.286 3.515 20 0 EHADRM C/C(=C\C1CCC(C)CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001588955979 984700765 /nfs/dbraw/zinc/70/07/65/984700765.db2.gz FEJGEMJYWQZQAS-UDPHBPLYSA-N -1 0 329.440 3.571 20 0 EHADRM C[C@H](NC(=O)NCC1(CC(=O)[O-])CCCC1)c1ccc(Cl)s1 ZINC001599894038 984730620 /nfs/dbraw/zinc/73/06/20/984730620.db2.gz LOHQFOOOWQNGHV-JTQLQIEISA-N -1 0 344.864 3.797 20 0 EHADRM C[C@H](NC(=O)N[C@H]1CC=C(C(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC001599894327 984733894 /nfs/dbraw/zinc/73/38/94/984733894.db2.gz SBMVVXDBIPZXMC-KWQFWETISA-N -1 0 343.210 3.527 20 0 EHADRM C[C@@H]1C[C@@H](Sc2nc(C(F)(F)F)ccc2C(=O)[O-])C[C@H](C)O1 ZINC001599905367 984915028 /nfs/dbraw/zinc/91/50/28/984915028.db2.gz HYZNPNYLMXYDSF-AYMMMOKOSA-N -1 0 335.347 3.847 20 0 EHADRM C/C(=C\c1c(Cl)cccc1Cl)C(=O)NCC(C)(C)C(=O)[O-] ZINC001588996112 984931147 /nfs/dbraw/zinc/93/11/47/984931147.db2.gz ZSLPFUJTXQZGJS-VQHVLOKHSA-N -1 0 330.211 3.624 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)Oc1cc(C(=O)[O-])cc(F)c1C ZINC001588998056 984932961 /nfs/dbraw/zinc/93/29/61/984932961.db2.gz GDRZRYKEEIXAKO-YFHOEESVSA-N -1 0 332.302 3.980 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-] ZINC001588999338 984937743 /nfs/dbraw/zinc/93/77/43/984937743.db2.gz SNBNXFPURSXKDB-GXDHUFHOSA-N -1 0 335.419 3.824 20 0 EHADRM C/C(=C/c1ccco1)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC001589011088 984986385 /nfs/dbraw/zinc/98/63/85/984986385.db2.gz VCEBAPWMIJMPQP-KLQCNHIUSA-N -1 0 333.771 3.669 20 0 EHADRM C/C(=C/c1ccncc1)C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001589011200 984988250 /nfs/dbraw/zinc/98/82/50/984988250.db2.gz SQZGTXIQXDFFAG-TWGQIWQCSA-N -1 0 334.734 3.614 20 0 EHADRM C/C(=C\c1ccncc1)C(=O)Oc1cccc2c(CC(=O)[O-])cccc12 ZINC001589011223 984988299 /nfs/dbraw/zinc/98/82/99/984988299.db2.gz UMKFGXIERMOHTJ-WYMLVPIESA-N -1 0 347.370 3.871 20 0 EHADRM CC(=O)CCCOC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001589035506 985086407 /nfs/dbraw/zinc/08/64/07/985086407.db2.gz UGTVRURPNFLDCZ-UHFFFAOYSA-N -1 0 326.348 3.578 20 0 EHADRM CCO[C@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)C1CCCC1 ZINC001596767895 985181946 /nfs/dbraw/zinc/18/19/46/985181946.db2.gz QOEVUWSVOCBBMR-AWEZNQCLSA-N -1 0 343.782 3.711 20 0 EHADRM CCO[C@@H](C)c1ncc(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)s1 ZINC001596775255 985206519 /nfs/dbraw/zinc/20/65/19/985206519.db2.gz BONPFUFRCBZPTQ-MNOVXSKESA-N -1 0 348.424 3.681 20 0 EHADRM CCO[C@H](C)c1noc(CSCc2ccc(C)c(C(=O)[O-])c2)n1 ZINC001596775591 985207263 /nfs/dbraw/zinc/20/72/63/985207263.db2.gz PTCJEIDAIKWGFH-LLVKDONJSA-N -1 0 336.413 3.607 20 0 EHADRM CCO[C@@H](C)c1nc(CS[C@@H](C)c2nc(C(=O)[O-])co2)cs1 ZINC001596775818 985209715 /nfs/dbraw/zinc/20/97/15/985209715.db2.gz FWIIBUPBKCMFEV-IUCAKERBSA-N -1 0 342.442 3.921 20 0 EHADRM C[C@H]1Cc2ccccc2N(C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)[C@H]1C(=O)[O-] ZINC001599937026 985408607 /nfs/dbraw/zinc/40/86/07/985408607.db2.gz IMBZOTFWRTXZAU-BPFKQRPKSA-N -1 0 341.451 3.881 20 0 EHADRM C[C@H]1Cc2ccccc2N(C(=O)c2cc(F)cc(Cl)c2)[C@H]1C(=O)[O-] ZINC001599937728 985416824 /nfs/dbraw/zinc/41/68/24/985416824.db2.gz YKFHCKCYOZEWRR-MGPLVRAMSA-N -1 0 347.773 3.771 20 0 EHADRM C[C@]1(c2ccccc2)C[C@H]1C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001599938675 985427766 /nfs/dbraw/zinc/42/77/66/985427766.db2.gz OXBWSGONOLSJAB-HRAATJIYSA-N -1 0 346.386 3.849 20 0 EHADRM C[C@@H]1[C@H](C)CN(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)[C@H]1C ZINC001594478128 985502962 /nfs/dbraw/zinc/50/29/62/985502962.db2.gz MCAFVLVIBMWFRJ-HLTSFMKQSA-N -1 0 328.771 3.686 20 0 EHADRM CC(=O)Nc1ccc(C)c(N[C@@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC001589189862 985587262 /nfs/dbraw/zinc/58/72/62/985587262.db2.gz JEMUEAHOHHQQAD-MRXNPFEDSA-N -1 0 332.787 3.845 20 0 EHADRM Cc1[nH]c(C(=O)CSc2nc(C(C)(C)C)co2)c(C)c1C(=O)[O-] ZINC001599949858 985589590 /nfs/dbraw/zinc/58/95/90/985589590.db2.gz YQGGLSREMMPNNL-UHFFFAOYSA-N -1 0 336.413 3.590 20 0 EHADRM Cc1[nH]c(C(=O)N(C)Cc2ccc3ccccc3c2)c(C)c1C(=O)[O-] ZINC001599950507 985600311 /nfs/dbraw/zinc/60/03/11/985600311.db2.gz IBYKIVOVYRYFPM-UHFFFAOYSA-N -1 0 336.391 3.755 20 0 EHADRM CC(=O)Nc1cccc(C(=O)O[C@H](CC2CCCCC2)C(=O)[O-])c1C ZINC001589206232 985676246 /nfs/dbraw/zinc/67/62/46/985676246.db2.gz VLDIWPBOFFJZOC-QGZVFWFLSA-N -1 0 347.411 3.534 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1cccc(OC(C)(C)C)c1 ZINC001599956548 985698309 /nfs/dbraw/zinc/69/83/09/985698309.db2.gz GEUHPUYZKQAACM-UHFFFAOYSA-N -1 0 330.384 3.759 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1ccc(OC(C)C)cc1F ZINC001599956741 985702124 /nfs/dbraw/zinc/70/21/24/985702124.db2.gz NPOZTZDALMIUDF-UHFFFAOYSA-N -1 0 334.347 3.508 20 0 EHADRM Cc1[nH]c2ccccc2c1C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1 ZINC001599966703 985919225 /nfs/dbraw/zinc/91/92/25/985919225.db2.gz WCMFYMASRPAASS-MRXNPFEDSA-N -1 0 342.439 3.877 20 0 EHADRM Cc1[nH]c2ccccc2c1Cc1noc([C@@H]2CCC[C@@H](C(=O)[O-])C2)n1 ZINC001599967223 985928300 /nfs/dbraw/zinc/92/83/00/985928300.db2.gz YOTLFFHIWGHTHR-CHWSQXEVSA-N -1 0 339.395 3.809 20 0 EHADRM CC(=O)c1ccc(C(=O)N(c2ccccc2C(=O)[O-])C2CCC2)cc1 ZINC001589273376 985974762 /nfs/dbraw/zinc/97/47/62/985974762.db2.gz BSWAHAWPSISVKK-UHFFFAOYSA-N -1 0 337.375 3.787 20 0 EHADRM CC(=O)c1ccc(-c2ccc(C(=O)OCCCCC(=O)[O-])o2)cc1 ZINC001589274026 985979480 /nfs/dbraw/zinc/97/94/80/985979480.db2.gz WLNBKBSGFIRIDT-UHFFFAOYSA-N -1 0 330.336 3.561 20 0 EHADRM CC(=O)c1ccc(CN2CCC[C@@H]2c2nc(C(=O)[O-])c(C)s2)cc1 ZINC001589283188 986007802 /nfs/dbraw/zinc/00/78/02/986007802.db2.gz FDJKGIXVQFPNGC-OAHLLOKOSA-N -1 0 344.436 3.689 20 0 EHADRM CC(=O)c1ccc(Cl)c(NC(=O)CC2(CC(=O)[O-])CCCC2)c1 ZINC001589283788 986015052 /nfs/dbraw/zinc/01/50/52/986015052.db2.gz JGAADSRKOCJKLV-UHFFFAOYSA-N -1 0 337.803 3.906 20 0 EHADRM Cc1c(Br)cccc1Cn1cc(C(=O)[O-])nc1C1CC1 ZINC001599972016 986023367 /nfs/dbraw/zinc/02/33/67/986023367.db2.gz CETIZBJNVWGVMC-UHFFFAOYSA-N -1 0 335.201 3.578 20 0 EHADRM CC(=O)c1ccc2c(c1)CN(C(=O)Nc1cc(C(=O)[O-])sc1C)C2 ZINC001589305319 986070002 /nfs/dbraw/zinc/07/00/02/986070002.db2.gz MMYPAIHUYRYFGC-UHFFFAOYSA-N -1 0 344.392 3.505 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N1[C@@H](C)CC(C(=O)[O-])C[C@@H]1C ZINC001599974970 986074188 /nfs/dbraw/zinc/07/41/88/986074188.db2.gz DFPMAXNVYBOPIZ-UWVGGRQHSA-N -1 0 333.359 3.594 20 0 EHADRM CC(=O)c1cccc(CN2CCC[C@@H]2c2nc(C(=O)[O-])c(C)s2)c1 ZINC001589309541 986080101 /nfs/dbraw/zinc/08/01/01/986080101.db2.gz PGXFLPJQSCXRSG-OAHLLOKOSA-N -1 0 344.436 3.689 20 0 EHADRM Cc1c(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])cnc2ccccc12 ZINC001599980596 986157329 /nfs/dbraw/zinc/15/73/29/986157329.db2.gz NFDJCXIDUNEYMB-SFHVURJKSA-N -1 0 340.423 3.697 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1 ZINC001599983510 986197541 /nfs/dbraw/zinc/19/75/41/986197541.db2.gz TVXCUUCZNTVKIE-RRNAMWOMSA-N -1 0 329.396 3.813 20 0 EHADRM Cc1c(C(=O)Nc2ccc(C(=O)[O-])s2)ccn1Cc1ccccc1 ZINC001599983575 986198377 /nfs/dbraw/zinc/19/83/77/986198377.db2.gz HYZKSZPKOIHPOX-UHFFFAOYSA-N -1 0 340.404 3.857 20 0 EHADRM Cc1c2ccccc2oc1C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001599983921 986203205 /nfs/dbraw/zinc/20/32/05/986203205.db2.gz SKEFTOQIYARFEB-UHFFFAOYSA-N -1 0 338.363 3.758 20 0 EHADRM C[C@@H](C(=O)N(Cc1ccccc1)C(C)(C)C(=O)[O-])c1ccccc1F ZINC001589342366 986267536 /nfs/dbraw/zinc/26/75/36/986267536.db2.gz KCMHYACMKAERPZ-CQSZACIVSA-N -1 0 343.398 3.821 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@H](CC)C1CCCC1 ZINC001597016527 986382651 /nfs/dbraw/zinc/38/26/51/986382651.db2.gz DOKCYHPYBFSRMC-CQSZACIVSA-N -1 0 334.416 3.874 20 0 EHADRM C[C@H](C(=O)N1CCc2cc(C(=O)[O-])ccc2C1)c1cc2ccccc2o1 ZINC001589364558 986385361 /nfs/dbraw/zinc/38/53/61/986385361.db2.gz IYBULHMQRKLEHR-ZDUSSCGKSA-N -1 0 349.386 3.819 20 0 EHADRM C[C@H](C(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C)c1ccccc1C(F)(F)F ZINC001589365577 986392734 /nfs/dbraw/zinc/39/27/34/986392734.db2.gz WMFIJJBPFDTIJX-GRYCIOLGSA-N -1 0 343.345 3.521 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NCC1C(C)(C)C1(C)C ZINC001597020744 986404598 /nfs/dbraw/zinc/40/45/98/986404598.db2.gz GIIVGLQVOBXWDZ-UHFFFAOYSA-N -1 0 334.416 3.587 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NCCC[C@H]1C=CCC1 ZINC001597022012 986418017 /nfs/dbraw/zinc/41/80/17/986418017.db2.gz OPGIJZYWSZSKHU-ZDUSSCGKSA-N -1 0 332.400 3.651 20 0 EHADRM C[C@H](C(=O)N1c2ccccc2C[C@H](C)[C@@H]1C(=O)[O-])c1cccc(F)c1 ZINC001589374339 986427417 /nfs/dbraw/zinc/42/74/17/986427417.db2.gz MAISLIMVJXTMRD-ZJNRKIDTSA-N -1 0 341.382 3.608 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1cc2ccccc2n1C ZINC001597025736 986432338 /nfs/dbraw/zinc/43/23/38/986432338.db2.gz MRQUGVDYEMVZGU-UHFFFAOYSA-N -1 0 338.363 3.528 20 0 EHADRM CCOc1cc(C)ccc1NC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001597032758 986457755 /nfs/dbraw/zinc/45/77/55/986457755.db2.gz RBWDHXUSVJKCSC-QRWLVFNGSA-N -1 0 339.391 3.591 20 0 EHADRM C[C@H](C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)c1ccc2ccccc2c1 ZINC001589381845 986466817 /nfs/dbraw/zinc/46/68/17/986466817.db2.gz TWXZCFXBWCPULV-SUMWQHHRSA-N -1 0 327.424 3.949 20 0 EHADRM C[C@H]1Cc2cc(C(=O)Oc3ccc(C(=O)[O-])cc3Cl)ccc2O1 ZINC001594614963 986629661 /nfs/dbraw/zinc/62/96/61/986629661.db2.gz KAEZLHXLTYNZPA-VIFPVBQESA-N -1 0 332.739 3.581 20 0 EHADRM C[C@H]1N(C(=O)c2ccc(C(=O)[O-])cc2F)c2ccccc2C1(C)C ZINC001594625814 986692905 /nfs/dbraw/zinc/69/29/05/986692905.db2.gz KLNPGQYZJAUMPW-LLVKDONJSA-N -1 0 327.355 3.850 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccc2c(c1)OCO2 ZINC001589431878 986734976 /nfs/dbraw/zinc/73/49/76/986734976.db2.gz RJCHVBCZHXNKKV-SECBINFHSA-N -1 0 347.754 3.509 20 0 EHADRM CCOc1ccc(NC(=O)[C@H](C)c2cccc(C)c2)c(C(=O)[O-])c1F ZINC001597113420 986786435 /nfs/dbraw/zinc/78/64/35/986786435.db2.gz SZEMSZLKIVCUBM-GFCCVEGCSA-N -1 0 345.370 3.973 20 0 EHADRM C[C@H](C(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1)C(F)(F)F ZINC001589443545 986789204 /nfs/dbraw/zinc/78/92/04/986789204.db2.gz CPLIBYLZNFPAEA-ZCFIWIBFSA-N -1 0 336.335 3.636 20 0 EHADRM C[C@H](C(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1)c1cccnc1 ZINC001589444042 986793653 /nfs/dbraw/zinc/79/36/53/986793653.db2.gz IAQINFKAOSCYBW-JTQLQIEISA-N -1 0 345.424 3.636 20 0 EHADRM C[C@H](C(=O)Nc1ncc(C(=O)[O-])c2ccccc12)c1ccsc1 ZINC001589448088 986817884 /nfs/dbraw/zinc/81/78/84/986817884.db2.gz AHDJDYKNRRQICW-JTQLQIEISA-N -1 0 326.377 3.737 20 0 EHADRM CCOc1ccc([C@H](C)OC(=O)c2ccc(/C=C\C(=O)[O-])o2)cc1 ZINC001597142747 986891277 /nfs/dbraw/zinc/89/12/77/986891277.db2.gz JIQXWTQZQBHDOZ-MMRAYRKESA-N -1 0 330.336 3.694 20 0 EHADRM CCOc1cccc(CCC(=O)N[C@@]2(C(=O)[O-])CCCC(C)(C)C2)c1 ZINC001597150173 986925067 /nfs/dbraw/zinc/92/50/67/986925067.db2.gz QMXPPSRJSIORHG-FQEVSTJZSA-N -1 0 347.455 3.558 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1coc2cc(F)ccc21)c1ccccc1 ZINC001589469392 986940898 /nfs/dbraw/zinc/94/08/98/986940898.db2.gz KVNSYRZGIDHRCI-PIGZYNQJSA-N -1 0 341.338 3.764 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)CCCCCc1ccc(F)cc1)C1CCC1 ZINC001589471029 986958946 /nfs/dbraw/zinc/95/89/46/986958946.db2.gz FWURFHLUDGGBOY-AWEZNQCLSA-N -1 0 335.419 3.783 20 0 EHADRM CC/C(=C/C(=O)N[C@@](C)(CC(=O)[O-])C1CC1)c1cccc(Cl)c1 ZINC001594690726 987082579 /nfs/dbraw/zinc/08/25/79/987082579.db2.gz JGDICARTFMSWMT-ANGAQGJPSA-N -1 0 335.831 3.893 20 0 EHADRM CC/C(=C/C(=O)OCc1oncc1C(=O)[O-])c1cccc(Cl)c1 ZINC001594694090 987105350 /nfs/dbraw/zinc/10/53/50/987105350.db2.gz LOLTWNSABRYLAK-YFHOEESVSA-N -1 0 335.743 3.563 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)/C=C/SCc2ccco2)cc1 ZINC001589503273 987107267 /nfs/dbraw/zinc/10/72/67/987107267.db2.gz LQTLZLWOLANMGX-ZJNQMXKESA-N -1 0 331.393 3.853 20 0 EHADRM CC/C(=C/C(=O)Nc1ccc(C(=O)[O-])s1)c1ccc(OC)cc1 ZINC001594694314 987107606 /nfs/dbraw/zinc/10/76/06/987107606.db2.gz URKSIEJQWIDPEU-KHPPLWFESA-N -1 0 331.393 3.887 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N(C)Cc2ccc(F)c(F)c2)cc1 ZINC001589505588 987121161 /nfs/dbraw/zinc/12/11/61/987121161.db2.gz VAHXFDOYZGNSAT-LLVKDONJSA-N -1 0 348.349 3.817 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1 ZINC001589511988 987144971 /nfs/dbraw/zinc/14/49/71/987144971.db2.gz FOJJDYAYFMMDMJ-DPAVQSFQSA-N -1 0 330.428 3.965 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NCC2CCC3(CC3)CC2)cc1 ZINC001589511979 987145166 /nfs/dbraw/zinc/14/51/66/987145166.db2.gz FMSYKNHAFFXQKF-ZDUSSCGKSA-N -1 0 330.428 3.967 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)Nc2ccc(O)c(Cl)c2)cc1 ZINC001589511978 987145310 /nfs/dbraw/zinc/14/53/10/987145310.db2.gz MHJZJXOUDDKLOU-SECBINFHSA-N -1 0 334.759 3.878 20 0 EHADRM Cc1conc1[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000153475156 1125498417 /nfs/dbraw/zinc/49/84/17/1125498417.db2.gz MATLMYILYTTYFC-UHFFFAOYSA-N -1 0 328.802 3.652 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2ncccc2-c2ccccn2)cc1 ZINC001589520803 987162850 /nfs/dbraw/zinc/16/28/50/987162850.db2.gz DAPOWUPVBGEDHN-CYBMUJFWSA-N -1 0 347.374 3.584 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)C23CC(c4ccccc4)(C2)C3)c1 ZINC001589521592 987168113 /nfs/dbraw/zinc/16/81/13/987168113.db2.gz BPDXTHJPIBEDKT-OZJRSANCSA-N -1 0 335.403 3.935 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cnc3c(F)cccc3c2)cc1 ZINC001589522066 987173253 /nfs/dbraw/zinc/17/32/53/987173253.db2.gz ZCSQLMPSPKUPMN-LLVKDONJSA-N -1 0 338.338 3.814 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)c1 ZINC001589522794 987182122 /nfs/dbraw/zinc/18/21/22/987182122.db2.gz NVNFMULBUYFAEE-WCQGTBRESA-N -1 0 329.318 3.792 20 0 EHADRM CCC(=O)c1ccc(NC(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])cc1 ZINC001594716948 987190835 /nfs/dbraw/zinc/19/08/35/987190835.db2.gz IUULKQUZWVQNLB-OAHLLOKOSA-N -1 0 346.427 3.682 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)Nc2cccc(C3CC3)n2)c1 ZINC001589532122 987210546 /nfs/dbraw/zinc/21/05/46/987210546.db2.gz BDTBMYJXMMTBQN-NSHDSACASA-N -1 0 325.368 3.791 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cn(C)c3ccc(F)cc23)c1 ZINC001589532302 987213305 /nfs/dbraw/zinc/21/33/05/987213305.db2.gz PJWCBEJIJCFKGV-NSHDSACASA-N -1 0 340.354 3.758 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)Nc2ccc(N(C)C)cc2)c1 ZINC001589534532 987231252 /nfs/dbraw/zinc/23/12/52/987231252.db2.gz YJBRDNHJCBUBNA-LBPRGKRZSA-N -1 0 327.384 3.585 20 0 EHADRM CCS[C@@H](C(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C)C(C)C ZINC001597250849 987237277 /nfs/dbraw/zinc/23/72/77/987237277.db2.gz ARDOMMTYFRKHCK-MRXNPFEDSA-N -1 0 349.452 3.868 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NCc2ccncc2Br)c1 ZINC001589540127 987239823 /nfs/dbraw/zinc/23/98/23/987239823.db2.gz QDXIJLMWEIMKBG-JTQLQIEISA-N -1 0 335.201 3.644 20 0 EHADRM C[C@@H](C(=O)O[C@H](C(=O)[O-])c1ccsc1)c1ccc(Cl)s1 ZINC001589540806 987248317 /nfs/dbraw/zinc/24/83/17/987248317.db2.gz RNBCVTHWMSOZQS-HQJQHLMTSA-N -1 0 330.814 3.936 20 0 EHADRM C[C@H](C(=O)O[C@H](C(=O)[O-])c1ccsc1)c1ccc(Cl)s1 ZINC001589540805 987248561 /nfs/dbraw/zinc/24/85/61/987248561.db2.gz RNBCVTHWMSOZQS-CPCISQLKSA-N -1 0 330.814 3.936 20 0 EHADRM CC[C@@H](C(=O)NCc1ccc(OC)c(C(=O)[O-])c1)C1CCC(C)CC1 ZINC001594737587 987282305 /nfs/dbraw/zinc/28/23/05/987282305.db2.gz ZIFAGIMNUTVEEW-AVVWSFFYSA-N -1 0 347.455 3.862 20 0 EHADRM CCSc1ccc(CC(=O)Oc2ccc(CC(=O)[O-])cc2)cc1 ZINC001597272543 987322576 /nfs/dbraw/zinc/32/25/76/987322576.db2.gz KJTRURWFIHMJBZ-UHFFFAOYSA-N -1 0 330.405 3.574 20 0 EHADRM Cc1[nH]nc(C(=O)N2CC3(CCCCC3)[C@@H]2c2ccccc2)c1[O-] ZINC000655277086 1015302601 /nfs/dbraw/zinc/30/26/01/1015302601.db2.gz KXZPQDQJGVNCHW-KRWDZBQOSA-N -1 0 325.412 3.571 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1coc(C2CCC2)n1)c1ccccc1 ZINC001589601572 987428428 /nfs/dbraw/zinc/42/84/28/987428428.db2.gz OAVHWXZLTHQLIH-HNNXBMFYSA-N -1 0 342.395 3.524 20 0 EHADRM CC(C)(C(=O)[O-])N(Cc1ccccc1)C(=O)c1cccc(Cl)c1 ZINC001589617237 987490652 /nfs/dbraw/zinc/49/06/52/987490652.db2.gz XOEKMCUTBROZHZ-UHFFFAOYSA-N -1 0 331.799 3.846 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(c2nc(Cl)nc3ccccc32)C1 ZINC001589617463 987494073 /nfs/dbraw/zinc/49/40/73/987494073.db2.gz YKDNAAVTIXHJBN-NSHDSACASA-N -1 0 333.819 3.610 20 0 EHADRM CCc1[nH]c(C(=O)N(C)[C@H]2CCCc3ccccc32)c(C)c1C(=O)[O-] ZINC001597354592 987497160 /nfs/dbraw/zinc/49/71/60/987497160.db2.gz KNWBYKAQHCDVCC-INIZCTEOSA-N -1 0 340.423 3.733 20 0 EHADRM CC[C@H]1CC[C@H](C(=O)Nc2cccnc2SCCC(=O)[O-])CC1 ZINC001597354972 987499861 /nfs/dbraw/zinc/49/98/61/987499861.db2.gz UTBXEUUVALYXLS-JOCQHMNTSA-N -1 0 336.457 3.803 20 0 EHADRM CCc1[nH]c(C(=O)N[C@H](c2ccc(C)cc2)C2CC2)c(C)c1C(=O)[O-] ZINC001597363387 987530593 /nfs/dbraw/zinc/53/05/93/987530593.db2.gz HVEFQQIRULUNLE-GOSISDBHSA-N -1 0 340.423 3.773 20 0 EHADRM CCc1[nH]c(C(=O)N[C@@H]2c3ccccc3CC[C@H]2C)c(C)c1C(=O)[O-] ZINC001597367139 987540655 /nfs/dbraw/zinc/54/06/55/987540655.db2.gz NMFHRHCYQYUATJ-DIFFPNOSSA-N -1 0 340.423 3.637 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC001589637905 987557693 /nfs/dbraw/zinc/55/76/93/987557693.db2.gz OTYAXLRNOWREKZ-HEHGZKQESA-N -1 0 330.428 3.607 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N[C@@H]2C[C@@H]3CCCC[C@H]23)cc1 ZINC001589638176 987559459 /nfs/dbraw/zinc/55/94/59/987559459.db2.gz YZHVEERWQYLJHS-VBNZEHGJSA-N -1 0 330.428 3.749 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NCC[C@H]2CC=CCC2)cc1 ZINC001589638123 987559623 /nfs/dbraw/zinc/55/96/23/987559623.db2.gz WXLRFGLRPZDWMX-AWEZNQCLSA-N -1 0 330.428 3.917 20 0 EHADRM CCc1[nH]c(CN2C[C@@H](C)Oc3c(Cl)cccc32)cc1C(=O)[O-] ZINC001597384370 987588385 /nfs/dbraw/zinc/58/83/85/987588385.db2.gz KRLYAWBPPBDUSP-SNVBAGLBSA-N -1 0 334.803 3.716 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)[C@H]2CCOc3ccccc32)c1 ZINC001589649971 987596297 /nfs/dbraw/zinc/59/62/97/987596297.db2.gz DSXQYCKXKMMWGV-INIZCTEOSA-N -1 0 340.375 3.521 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)/C=C/c2ccccc2F)c1 ZINC001589650556 987598400 /nfs/dbraw/zinc/59/84/00/987598400.db2.gz KEUKZEFFSWUKPG-ZHACJKMWSA-N -1 0 328.339 3.807 20 0 EHADRM CCc1[nH]c(CN[C@@H](C)c2nc(C3CCCCC3)no2)cc1C(=O)[O-] ZINC001597390935 987619057 /nfs/dbraw/zinc/61/90/57/987619057.db2.gz IHODYYXYGYKKBX-NSHDSACASA-N -1 0 346.431 3.557 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(NC(=O)c2cc(Cl)ccc2F)n1 ZINC001589656785 987622751 /nfs/dbraw/zinc/62/27/51/987622751.db2.gz YPRPMBZGVYDNMJ-UHFFFAOYSA-N -1 0 342.779 3.550 20 0 EHADRM CCc1c(C(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)ccn1C ZINC001597406878 987688491 /nfs/dbraw/zinc/68/84/91/987688491.db2.gz XXBBAFBMYLRLHG-OAHLLOKOSA-N -1 0 334.460 3.521 20 0 EHADRM CC(C)(C(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21)[C@H]1CCCCO1 ZINC001589680652 987704719 /nfs/dbraw/zinc/70/47/19/987704719.db2.gz IYTYHTYDEFGIAP-DLBZAZTESA-N -1 0 346.423 3.901 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)[C@H]2C[C@@]2(F)c2ccccc2)s1 ZINC001597440350 987798245 /nfs/dbraw/zinc/79/82/45/987798245.db2.gz DEEBBNRIWSFAIH-CXAGYDPISA-N -1 0 333.384 3.832 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)Nc1cccc(CC(F)(F)F)c1 ZINC001589703441 987807002 /nfs/dbraw/zinc/80/70/02/987807002.db2.gz YEMLHFXRSAQZLU-LBPRGKRZSA-N -1 0 346.349 3.802 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1C[C@@]1(F)c1ccccc1 ZINC001597450317 987839540 /nfs/dbraw/zinc/83/95/40/987839540.db2.gz VXDOLWJSFBCOQM-HNAYVOBHSA-N -1 0 327.355 3.771 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)Cc1ccc(F)c(Cl)c1 ZINC001597452827 987852614 /nfs/dbraw/zinc/85/26/14/987852614.db2.gz YPOFULRPLHGPNW-UHFFFAOYSA-N -1 0 335.762 3.921 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@H]1c1ccncc1 ZINC001597453310 987854515 /nfs/dbraw/zinc/85/45/15/987854515.db2.gz OFHRBEDLEVLKEW-KRWDZBQOSA-N -1 0 339.395 3.711 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CC(Cc2ccsc2)C1 ZINC001597453515 987855514 /nfs/dbraw/zinc/85/55/14/987855514.db2.gz QLTCMURVQFOJFY-UHFFFAOYSA-N -1 0 344.436 3.715 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@H](CC)c1c(C)noc1C ZINC001597457231 987871522 /nfs/dbraw/zinc/87/15/22/987871522.db2.gz SIYWXYZTJDBOEC-CQSZACIVSA-N -1 0 345.399 3.825 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1c(F)ccc2ccncc21 ZINC001597463664 987892999 /nfs/dbraw/zinc/89/29/99/987892999.db2.gz ATPYMZRRTYAJMM-UHFFFAOYSA-N -1 0 338.338 3.887 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(OC)cc1Cl ZINC001597465639 987907941 /nfs/dbraw/zinc/90/79/41/987907941.db2.gz YTGOJIGERZOKDD-UHFFFAOYSA-N -1 0 333.771 3.862 20 0 EHADRM CC(C)(C)[C@@H]1CCC[C@](NC(=O)[C@H]2C[C@H]2C(=O)[O-])(C(F)(F)F)CC1 ZINC001589727971 987926543 /nfs/dbraw/zinc/92/65/43/987926543.db2.gz DEBWQCHWGQHUDB-AZKPJATDSA-N -1 0 349.393 3.751 20 0 EHADRM CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001589728315 987930463 /nfs/dbraw/zinc/93/04/63/987930463.db2.gz IQQMJDLKSKCKME-SMWWRSMJSA-N -1 0 333.428 3.960 20 0 EHADRM CC(C)(C)[C@@H]1CCCN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C1 ZINC001589732759 987967473 /nfs/dbraw/zinc/96/74/73/987967473.db2.gz QTCDSAZMFCRLNB-SNVBAGLBSA-N -1 0 340.370 3.953 20 0 EHADRM CS/C=C\C(=O)Nc1c(OCc2ccccc2)cccc1C(=O)[O-] ZINC001599791357 988014912 /nfs/dbraw/zinc/01/49/12/988014912.db2.gz SZWVLKSIOJCJRW-KHPPLWFESA-N -1 0 343.404 3.779 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC001589743201 988023870 /nfs/dbraw/zinc/02/38/70/988023870.db2.gz GWPSYZYBCVMKAV-KSZLIROESA-N -1 0 339.435 3.949 20 0 EHADRM CCc1ccc(Br)c(N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]23)c1 ZINC001597494877 988039471 /nfs/dbraw/zinc/03/94/71/988039471.db2.gz KAZVXKXFRPULOA-CIQGVGRVSA-N -1 0 338.245 3.923 20 0 EHADRM CCc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC001597495314 988041990 /nfs/dbraw/zinc/04/19/90/988041990.db2.gz SSNSLYJZFOUMRX-LLVKDONJSA-N -1 0 344.338 3.515 20 0 EHADRM CCc1ccc(C(=O)Oc2ccc(/C=C\C(=O)[O-])cc2OC)s1 ZINC001597508457 988087568 /nfs/dbraw/zinc/08/75/68/988087568.db2.gz QXCRYDOEQYWNSI-UITAMQMPSA-N -1 0 332.377 3.636 20 0 EHADRM CC(C)(C)C[C@H]1CCCN1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001589764520 988104021 /nfs/dbraw/zinc/10/40/21/988104021.db2.gz MLHQGYIGXQAGLE-CQSZACIVSA-N -1 0 334.416 3.583 20 0 EHADRM CCc1ccc([C@H]2CN([C@H](C)c3ncc(C(=O)[O-])s3)CCO2)cc1 ZINC001597519782 988141069 /nfs/dbraw/zinc/14/10/69/988141069.db2.gz AVVBHLVFVGFAGR-IUODEOHRSA-N -1 0 346.452 3.538 20 0 EHADRM CC(C)(C)CN1CCC[C@@H](SCc2cccc(C(=O)[O-])c2)C1=O ZINC001589780842 988157351 /nfs/dbraw/zinc/15/73/51/988157351.db2.gz QICSIFXVDAYOAS-OAHLLOKOSA-N -1 0 335.469 3.655 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)Nc1ncc(C(=O)[O-])s1 ZINC001599801943 988191398 /nfs/dbraw/zinc/19/13/98/988191398.db2.gz MSDNFBHUXJIWFM-UHFFFAOYSA-N -1 0 348.405 3.703 20 0 EHADRM CSCc1ccc(C(=O)Oc2ccc(N(C)C)c(C(=O)[O-])c2)cc1 ZINC001599802411 988199068 /nfs/dbraw/zinc/19/90/68/988199068.db2.gz JNLBQNAIZLPKAO-UHFFFAOYSA-N -1 0 345.420 3.533 20 0 EHADRM CSCc1cc(C(=O)O[C@H](C)c2cc(C(=O)[O-])co2)ccc1F ZINC001599802683 988203716 /nfs/dbraw/zinc/20/37/16/988203716.db2.gz VEAIBVQNTANSLW-SECBINFHSA-N -1 0 338.356 3.898 20 0 EHADRM CSCc1cccc(CNC(=O)Nc2cc(C(=O)[O-])ccc2F)c1 ZINC001599803177 988211623 /nfs/dbraw/zinc/21/16/23/988211623.db2.gz OJNBSDLIAJPVAK-UHFFFAOYSA-N -1 0 348.399 3.709 20 0 EHADRM CCc1ccc(NC(=O)[C@H]2C[C@@]2(F)c2ccccc2)c(C(=O)[O-])c1 ZINC001597542492 988230787 /nfs/dbraw/zinc/23/07/87/988230787.db2.gz DGJDQOMWEAHLTR-DNVCBOLYSA-N -1 0 327.355 3.771 20 0 EHADRM CCc1ccc(NC(=O)/C=C/c2ccc(Cl)nc2)c(C(=O)[O-])c1 ZINC001597542623 988231984 /nfs/dbraw/zinc/23/19/84/988231984.db2.gz FDRCGIURTWEYMH-VMPITWQZSA-N -1 0 330.771 3.648 20 0 EHADRM CCc1ccc(NC(=O)Cc2ccc(Cl)c(F)c2)c(C(=O)[O-])c1 ZINC001597544226 988241633 /nfs/dbraw/zinc/24/16/33/988241633.db2.gz BVPTUXPTZBACIR-UHFFFAOYSA-N -1 0 335.762 3.921 20 0 EHADRM CSCc1cnc(CNc2ccc3c(c2)[nH]cc3C(=O)[O-])s1 ZINC001599805788 988253870 /nfs/dbraw/zinc/25/38/70/988253870.db2.gz XQPOLEFWQLUDRQ-UHFFFAOYSA-N -1 0 333.438 3.798 20 0 EHADRM CSc1c(F)cccc1C(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC001599806200 988260589 /nfs/dbraw/zinc/26/05/89/988260589.db2.gz PMPWVXCPBCWIOF-HNNXBMFYSA-N -1 0 347.411 3.720 20 0 EHADRM CSc1c(F)cccc1NC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001599806196 988260766 /nfs/dbraw/zinc/26/07/66/988260766.db2.gz PLXYYLOIPMDNEZ-KPZWWZAWSA-N -1 0 345.395 3.745 20 0 EHADRM CSc1cc(C(=O)Nc2nc(C(C)C)c(C(=O)[O-])s2)c(C)o1 ZINC001599807281 988275812 /nfs/dbraw/zinc/27/58/12/988275812.db2.gz MDHXFXSUQJTILJ-UHFFFAOYSA-N -1 0 340.426 3.840 20 0 EHADRM CCc1ccc2occ(C(=O)N[C@H](C(=O)[O-])c3ccccc3F)c2c1 ZINC001597570229 988339976 /nfs/dbraw/zinc/33/99/76/988339976.db2.gz BDWLLPLVNPEEHD-KRWDZBQOSA-N -1 0 341.338 3.690 20 0 EHADRM CSc1ccc(C)c(NCc2c(C)nn(CCC(=O)[O-])c2C)c1 ZINC001599812272 988357187 /nfs/dbraw/zinc/35/71/87/988357187.db2.gz KHVRHCIJUASOHE-UHFFFAOYSA-N -1 0 333.457 3.617 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)[C@@H]1CCOc2c(F)cccc21 ZINC001597574037 988359197 /nfs/dbraw/zinc/35/91/97/988359197.db2.gz YEQGPPKDXVJAMP-CYBMUJFWSA-N -1 0 343.354 3.591 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)CSc1ccc(OC)cc1 ZINC001597573889 988359686 /nfs/dbraw/zinc/35/96/86/988359686.db2.gz WGNKSFZWHVBUIW-UHFFFAOYSA-N -1 0 345.420 3.687 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)[C@H](CC)Oc1ccccc1F ZINC001597575944 988363087 /nfs/dbraw/zinc/36/30/87/988363087.db2.gz GFOABRZILPIKLC-HNNXBMFYSA-N -1 0 345.370 3.882 20 0 EHADRM CSc1ccc(CCCC(=O)N[C@H](CC(=O)[O-])C2CCCC2)cc1 ZINC001599812996 988370985 /nfs/dbraw/zinc/37/09/85/988370985.db2.gz RRSDWXNTRPMLRS-QGZVFWFLSA-N -1 0 349.496 3.881 20 0 EHADRM CSc1ccc(CCCC(=O)Nc2ncc(C(=O)[O-])s2)cc1 ZINC001599813012 988371263 /nfs/dbraw/zinc/37/12/63/988371263.db2.gz SMIQFWGMMKLBTL-UHFFFAOYSA-N -1 0 336.438 3.525 20 0 EHADRM CSc1ccc(/C=C/C(=O)Nc2cc(C)c(C(=O)[O-])cn2)s1 ZINC001599813552 988380735 /nfs/dbraw/zinc/38/07/35/988380735.db2.gz XIHSPRKMRNXSAS-HWKANZROSA-N -1 0 334.422 3.524 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)NC1(CC(=O)[O-])CCCC1 ZINC001599814169 988390469 /nfs/dbraw/zinc/39/04/69/988390469.db2.gz FMMDZWGEXKVFMK-UHFFFAOYSA-N -1 0 342.848 3.971 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1csc(-c2ccoc2)n1 ZINC001597591769 988415522 /nfs/dbraw/zinc/41/55/22/988415522.db2.gz IDHASBPQPSYVDO-UHFFFAOYSA-N -1 0 342.376 3.916 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1ccc(C(C)(C)C)cn1 ZINC001597593173 988424982 /nfs/dbraw/zinc/42/49/82/988424982.db2.gz NJMWFDUGGMWVNN-UHFFFAOYSA-N -1 0 326.396 3.892 20 0 EHADRM CSc1ccc(NC(=O)/C(C)=C\c2cccnc2)cc1C(=O)[O-] ZINC001599816029 988425571 /nfs/dbraw/zinc/42/55/71/988425571.db2.gz MNOIQXSIINQHSI-FLIBITNWSA-N -1 0 328.393 3.544 20 0 EHADRM CSc1ccc(NC(=O)/C(C)=C/c2cccnc2)cc1C(=O)[O-] ZINC001599816028 988425691 /nfs/dbraw/zinc/42/56/91/988425691.db2.gz MNOIQXSIINQHSI-DHZHZOJOSA-N -1 0 328.393 3.544 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1ccc2c(c1)CCCC2=O ZINC001597594244 988432703 /nfs/dbraw/zinc/43/27/03/988432703.db2.gz QFDPFLRVEQCXDK-UHFFFAOYSA-N -1 0 337.375 3.719 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cnc2ccc(F)cc2c1 ZINC001597594779 988434075 /nfs/dbraw/zinc/43/40/75/988434075.db2.gz UGECNXHADGDQBH-UHFFFAOYSA-N -1 0 338.338 3.887 20 0 EHADRM CSc1ccc(NC(=O)c2cc(CC(C)C)c[nH]2)cc1C(=O)[O-] ZINC001599817355 988449667 /nfs/dbraw/zinc/44/96/67/988449667.db2.gz KQOMBNWOVBIVIE-UHFFFAOYSA-N -1 0 332.425 3.886 20 0 EHADRM CSc1ccc(NC(=O)NC[C@]23C[C@H]2CCCC3)cc1C(=O)[O-] ZINC001599818408 988469260 /nfs/dbraw/zinc/46/92/60/988469260.db2.gz FUBVAZKXVUWEBX-DIFFPNOSSA-N -1 0 334.441 3.809 20 0 EHADRM CSc1ccc([C@H](C)OC(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC001599821253 988518002 /nfs/dbraw/zinc/51/80/02/988518002.db2.gz RKUAAHBNHOFRTE-LBPRGKRZSA-N -1 0 330.405 3.954 20 0 EHADRM CCc1ccccc1NC(=O)CSCc1ccc(C(=O)[O-])cc1 ZINC001597614720 988522616 /nfs/dbraw/zinc/52/26/16/988522616.db2.gz LULCCPWAXWEUEP-UHFFFAOYSA-N -1 0 329.421 3.819 20 0 EHADRM CCc1ccccc1NC(=O)N[C@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC001597615172 988531549 /nfs/dbraw/zinc/53/15/49/988531549.db2.gz VMGDLBQJWDKUGC-CYBMUJFWSA-N -1 0 342.395 3.595 20 0 EHADRM CSc1cccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)c1 ZINC001599822760 988543031 /nfs/dbraw/zinc/54/30/31/988543031.db2.gz WBGJIXJLCISCTD-JYJNAYRXSA-N -1 0 333.453 3.514 20 0 EHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC001597621083 988544399 /nfs/dbraw/zinc/54/43/99/988544399.db2.gz CIOXPGPECWDDOP-RBUKOAKNSA-N -1 0 335.403 3.593 20 0 EHADRM CCc1cnc(CSCCOc2ccc(/C=C\C(=O)[O-])cc2)o1 ZINC001597631271 988595802 /nfs/dbraw/zinc/59/58/02/988595802.db2.gz QGKUDMLLAQYTNY-YVMONPNESA-N -1 0 333.409 3.647 20 0 EHADRM CSc1ccccc1[C@@H](C)OC(=O)c1cccc(CC(=O)[O-])c1 ZINC001599825999 988598356 /nfs/dbraw/zinc/59/83/56/988598356.db2.gz CYSYCAZZTKCIPC-GFCCVEGCSA-N -1 0 330.405 3.954 20 0 EHADRM C[C@@H](CC(=O)[O-])OC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 ZINC001599834923 988727870 /nfs/dbraw/zinc/72/78/70/988727870.db2.gz MCUHWVUHKYNIPV-KBPBESRZSA-N -1 0 328.364 3.527 20 0 EHADRM C[C@@H](CC(=O)[O-])OC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC001599835612 988737816 /nfs/dbraw/zinc/73/78/16/988737816.db2.gz WDNATFXPYPKSMZ-NSHDSACASA-N -1 0 341.388 3.983 20 0 EHADRM C[C@@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1cc2ccccc2o1 ZINC001599838108 988777628 /nfs/dbraw/zinc/77/76/28/988777628.db2.gz RCEYSAKLLQSUPB-MXMFLMJRSA-N -1 0 325.320 3.615 20 0 EHADRM CCc1nc(NC(=O)Cc2coc3ccc(C)cc23)sc1C(=O)[O-] ZINC001597680161 988805179 /nfs/dbraw/zinc/80/51/79/988805179.db2.gz HHXSLPWEKWRDKU-UHFFFAOYSA-N -1 0 344.392 3.640 20 0 EHADRM CCc1nc2sccc2c(NCc2ccc(C(=O)[O-])c(OC)c2)n1 ZINC001597685390 988833829 /nfs/dbraw/zinc/83/38/29/988833829.db2.gz NARPAEASPPBRBA-UHFFFAOYSA-N -1 0 343.408 3.573 20 0 EHADRM CCc1nc2ccc(NC(=O)c3ccsc3CC(=O)[O-])cc2s1 ZINC001597691587 988885493 /nfs/dbraw/zinc/88/54/93/988885493.db2.gz QRBPYIUOKZRVRM-UHFFFAOYSA-N -1 0 346.433 3.800 20 0 EHADRM CCc1ncc(C(=O)Oc2c(C(=O)[O-])ccc3ccccc32)s1 ZINC001597696912 988902111 /nfs/dbraw/zinc/90/21/11/988902111.db2.gz BCKJCVCIHYYUSM-UHFFFAOYSA-N -1 0 327.361 3.776 20 0 EHADRM C[C@@H](OC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1cccc(OC(F)F)c1 ZINC001599846154 988934894 /nfs/dbraw/zinc/93/48/94/988934894.db2.gz CNFBYTNNUOYGMF-WXHSDQCUSA-N -1 0 342.338 3.783 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001599847621 988959836 /nfs/dbraw/zinc/95/98/36/988959836.db2.gz UWHJANIHLUUQST-KAMYHZANSA-N -1 0 335.831 3.895 20 0 EHADRM CCc1nocc1CN(C)[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001597757030 989178336 /nfs/dbraw/zinc/17/83/36/989178336.db2.gz WHKDVRAXEWOCJS-CQSZACIVSA-N -1 0 343.210 3.802 20 0 EHADRM CCc1oc(CN2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1C(=O)[O-] ZINC001597795478 989347329 /nfs/dbraw/zinc/34/73/29/989347329.db2.gz BUKWNIXHQUFSKM-KPZWWZAWSA-N -1 0 347.386 3.641 20 0 EHADRM CCc1oc(CN2CCN(C3CC3)c3c(C)cccc32)cc1C(=O)[O-] ZINC001597799613 989382242 /nfs/dbraw/zinc/38/22/42/989382242.db2.gz RNNMWNZDDGYWPG-UHFFFAOYSA-N -1 0 340.423 3.838 20 0 EHADRM CCc1sc(C(=O)Oc2ccc(N(C)C)c(C(=O)[O-])c2)cc1C ZINC001597820859 989461203 /nfs/dbraw/zinc/46/12/03/989461203.db2.gz QZNCOEZLSCBZRX-UHFFFAOYSA-N -1 0 333.409 3.602 20 0 EHADRM C[C@@H]1c2ccccc2CN1C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001599883198 989513555 /nfs/dbraw/zinc/51/35/55/989513555.db2.gz DOTTZCUTVFDKBP-SECBINFHSA-N -1 0 332.306 3.772 20 0 EHADRM CCn1c(C(=O)NCC2(CC(=O)[O-])CCCCC2)cc2ccccc21 ZINC001597840184 989535365 /nfs/dbraw/zinc/53/53/65/989535365.db2.gz NZXGCWNCUVZITB-UHFFFAOYSA-N -1 0 342.439 3.816 20 0 EHADRM O=C(C[C@H]1CCCCCN1C(=O)c1c([O-])cccc1F)c1ccco1 ZINC000274858382 1015496131 /nfs/dbraw/zinc/49/61/31/1015496131.db2.gz VICIQPFDCAXMLS-CYBMUJFWSA-N -1 0 345.370 3.782 20 0 EHADRM CCn1cc(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)c2ccccc21 ZINC001597880760 989703995 /nfs/dbraw/zinc/70/39/95/989703995.db2.gz ZTKKBXQPMUFHAS-NSHDSACASA-N -1 0 327.336 3.870 20 0 EHADRM CC(C)(C)OCc1ccc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC001590396193 989921224 /nfs/dbraw/zinc/92/12/24/989921224.db2.gz OLMBFVUDUNLNET-CABCVRRESA-N -1 0 333.428 3.831 20 0 EHADRM CC(C)(C)Oc1ccc(-c2noc([C@@H]3CCC[C@H](C(=O)[O-])C3)n2)nc1 ZINC001590410373 989951944 /nfs/dbraw/zinc/95/19/44/989951944.db2.gz UTACEEHHJJQOLK-NEPJUHHUSA-N -1 0 345.399 3.667 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)NC2(C(=O)[O-])CCCCCC2)c1 ZINC001590416337 989955936 /nfs/dbraw/zinc/95/59/36/989955936.db2.gz KGCUAFRKNSSSMO-UHFFFAOYSA-N -1 0 333.428 3.771 20 0 EHADRM CC(C)(C)Oc1ccccc1NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001590422470 989969586 /nfs/dbraw/zinc/96/95/86/989969586.db2.gz PRDLKJORIIMBRJ-OLZOCXBDSA-N -1 0 334.416 3.629 20 0 EHADRM CC(C)(C)[C@H](NC(=O)CCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC001590440882 990001664 /nfs/dbraw/zinc/00/16/64/990001664.db2.gz PYIAJPAPKBGXCG-CYBMUJFWSA-N -1 0 332.227 3.542 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)/C=C/c2nccs2)s1 ZINC001590460846 990023243 /nfs/dbraw/zinc/02/32/43/990023243.db2.gz BUPZXIJAAQLIIC-SNAWJCMRSA-N -1 0 336.438 3.852 20 0 EHADRM CC(C)(C)c1ccc(C(F)(F)C(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC001590479808 990056668 /nfs/dbraw/zinc/05/66/68/990056668.db2.gz HDCMWCFVESDVKS-CQSZACIVSA-N -1 0 339.382 3.542 20 0 EHADRM CC(C)(C)c1ccc(C(F)(F)C(=O)NCCCCCC(=O)[O-])cc1 ZINC001590479935 990058017 /nfs/dbraw/zinc/05/80/17/990058017.db2.gz IDISTRZFTNSGDG-UHFFFAOYSA-N -1 0 341.398 3.837 20 0 EHADRM CC(C)(C)c1ccc(C(C)(C)CNC(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001590481791 990077093 /nfs/dbraw/zinc/07/70/93/990077093.db2.gz UTGGTTZHCIARAX-UHFFFAOYSA-N -1 0 343.423 3.983 20 0 EHADRM CC(C)(C)c1ccc(CCC(=O)Nc2ncc(C(=O)[O-])s2)cc1 ZINC001590484718 990079049 /nfs/dbraw/zinc/07/90/49/990079049.db2.gz DKXVAQCVCBIDPS-UHFFFAOYSA-N -1 0 332.425 3.710 20 0 EHADRM CC(C)(C)c1ccc(CSCC(=O)NCCCCC(=O)[O-])cc1 ZINC001590486678 990085143 /nfs/dbraw/zinc/08/51/43/990085143.db2.gz CCRCNHCMSGLPFT-UHFFFAOYSA-N -1 0 337.485 3.588 20 0 EHADRM CC(C)(C)c1ccc(Cl)cc1NC(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001590487847 990089875 /nfs/dbraw/zinc/08/98/75/990089875.db2.gz UTZFLEROWFSUPO-UHFFFAOYSA-N -1 0 346.814 3.912 20 0 EHADRM CC(C)(C)c1csc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)n1 ZINC001590527143 990140405 /nfs/dbraw/zinc/14/04/05/990140405.db2.gz UNQHUOBOOJUEMR-LLVKDONJSA-N -1 0 344.436 3.659 20 0 EHADRM CC(C)(C)c1nc(NC(=O)C[C@@H]2CCCC2(F)F)sc1C(=O)[O-] ZINC001590545411 990180418 /nfs/dbraw/zinc/18/04/18/990180418.db2.gz UMRLKGLAODSYDK-QMMMGPOBSA-N -1 0 346.399 3.903 20 0 EHADRM CC(C)(C)c1nc(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)sc1C(=O)[O-] ZINC001590545408 990180632 /nfs/dbraw/zinc/18/06/32/990180632.db2.gz ULOVIMRLIPHGBY-OUAUKWLOSA-N -1 0 334.441 3.680 20 0 EHADRM CN(C(=O)CCCCc1ccccc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598013340 990192965 /nfs/dbraw/zinc/19/29/65/990192965.db2.gz VDNLPPHRTQSMBL-LJQANCHMSA-N -1 0 325.408 3.684 20 0 EHADRM CC(C)(C)c1ncc(/C=C\C(=O)O[C@@H]2CCC[C@H](C(=O)[O-])C2)s1 ZINC001590555924 990193772 /nfs/dbraw/zinc/19/37/72/990193772.db2.gz DATOAPVNYXGEIC-FUMJMOHISA-N -1 0 337.441 3.640 20 0 EHADRM CC(C)(C)c1ncc(/C=C/C(=O)Nc2ccc(F)cc2C(=O)[O-])s1 ZINC001590556642 990198850 /nfs/dbraw/zinc/19/88/50/990198850.db2.gz ZGYWEDRVTXTJRR-FNORWQNLSA-N -1 0 348.399 3.930 20 0 EHADRM CC(C)(C)n1ccc(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])n1 ZINC001590599533 990252679 /nfs/dbraw/zinc/25/26/79/990252679.db2.gz AFKAIQXJJLSZBM-UHFFFAOYSA-N -1 0 333.413 3.528 20 0 EHADRM CC(C)(C)n1ccc(C(=O)O[C@H]2CCCc3cc(C(=O)[O-])ccc32)n1 ZINC001590599853 990255979 /nfs/dbraw/zinc/25/59/79/990255979.db2.gz RSJJGSFLFAODNV-INIZCTEOSA-N -1 0 342.395 3.571 20 0 EHADRM CC(C)(CC(=O)NCCOc1ccc(C(=O)[O-])cc1)C1CCCCC1 ZINC001590620700 990297112 /nfs/dbraw/zinc/29/71/12/990297112.db2.gz DSCZAVVEYLXHMC-UHFFFAOYSA-N -1 0 347.455 3.876 20 0 EHADRM CC(C)(CC(=O)NCC1(C(=O)[O-])CCCCC1)c1ccc(F)cc1 ZINC001590621194 990300189 /nfs/dbraw/zinc/30/01/89/990300189.db2.gz VXCNCVSQWDCIRO-UHFFFAOYSA-N -1 0 335.419 3.645 20 0 EHADRM CN(C(=O)Nc1cc(C(=O)[O-])c(F)cc1F)C1CCC(F)(F)CC1 ZINC001598056410 990315364 /nfs/dbraw/zinc/31/53/64/990315364.db2.gz JVGRKKFJLWDBDM-UHFFFAOYSA-N -1 0 348.296 3.705 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc2c(c1)C=CC1(CCC1)O2 ZINC001590636787 990324937 /nfs/dbraw/zinc/32/49/37/990324937.db2.gz MJJSOJYPRYHOHS-UHFFFAOYSA-N -1 0 329.396 3.844 20 0 EHADRM CN(C(=O)Nc1nc(CC(=O)[O-])cs1)c1cccc2ccccc21 ZINC001598063451 990341366 /nfs/dbraw/zinc/34/13/66/990341366.db2.gz IUKGDCFAVFHDGX-UHFFFAOYSA-N -1 0 341.392 3.592 20 0 EHADRM CC(C)(CCNc1ccc(N2CCSCC2)c(Cl)c1)C(=O)[O-] ZINC001590693289 990406794 /nfs/dbraw/zinc/40/67/94/990406794.db2.gz FLHDVABYRTWAFI-UHFFFAOYSA-N -1 0 342.892 3.806 20 0 EHADRM CC(C)(CNC(=O)/C=C\c1cccc(OC2CCCC2)c1)CC(=O)[O-] ZINC001590707917 990456091 /nfs/dbraw/zinc/45/60/91/990456091.db2.gz KEQZFGDJJCBPAP-KHPPLWFESA-N -1 0 345.439 3.638 20 0 EHADRM O=C([O-])c1cccc(C(=O)NCCc2cccc(Cl)c2Cl)c1 ZINC000535613035 1015568786 /nfs/dbraw/zinc/56/87/86/1015568786.db2.gz RRGWONBZUIVSSK-UHFFFAOYSA-N -1 0 338.190 3.664 20 0 EHADRM CC(C)(CNc1nccc(C(=O)[O-])n1)c1c(Cl)cccc1Cl ZINC001590779928 990590606 /nfs/dbraw/zinc/59/06/06/990590606.db2.gz IALFQWFXOZLLGY-UHFFFAOYSA-N -1 0 340.210 3.871 20 0 EHADRM CC(C)(CNc1ncncc1C(=O)[O-])c1c(Cl)cccc1Cl ZINC001590780053 990592031 /nfs/dbraw/zinc/59/20/31/990592031.db2.gz JKTMMMCVJAFLGR-UHFFFAOYSA-N -1 0 340.210 3.871 20 0 EHADRM CC(C)(CSCc1cccc(C(=O)N2CCCCC2)c1)C(=O)[O-] ZINC001590820048 990652197 /nfs/dbraw/zinc/65/21/97/990652197.db2.gz GBFGFQMXSYTTJY-UHFFFAOYSA-N -1 0 335.469 3.657 20 0 EHADRM CC(C)(Cc1ccc(Cl)cc1Cl)Nc1cc(C(=O)[O-])ncn1 ZINC001590822207 990664481 /nfs/dbraw/zinc/66/44/81/990664481.db2.gz ZWVOPBRWPVNZBB-UHFFFAOYSA-N -1 0 340.210 3.915 20 0 EHADRM CC(C)(O)c1cccc(NC(=O)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC001590901519 990856230 /nfs/dbraw/zinc/85/62/30/990856230.db2.gz AUVVGKIICZDXQS-UHFFFAOYSA-N -1 0 342.395 3.575 20 0 EHADRM CC(C)=C[C@H]1[C@H](C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)C1(C)C ZINC001590914240 990896602 /nfs/dbraw/zinc/89/66/02/990896602.db2.gz CPWDDGLMVRKRCB-LTIDMASMSA-N -1 0 327.424 3.654 20 0 EHADRM CC(C)=C[C@H]1[C@H](C(=O)N(Cc2ccccc2)[C@H](C)C(=O)[O-])C1(C)C ZINC001590914628 990899774 /nfs/dbraw/zinc/89/97/74/990899774.db2.gz JWWDGGKYHKYJFN-HYVNUMGLSA-N -1 0 329.440 3.727 20 0 EHADRM CC(C)=CCCNC(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001590920719 990905936 /nfs/dbraw/zinc/90/59/36/990905936.db2.gz FLKBSFTZURFULN-CYBMUJFWSA-N -1 0 344.333 3.644 20 0 EHADRM CC(C)=CCC[C@H](C)CC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001590921755 990913526 /nfs/dbraw/zinc/91/35/26/990913526.db2.gz JZZJHMYSGXWSIX-OXJNMPFZSA-N -1 0 331.456 3.918 20 0 EHADRM CC(C)=CCNC(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC001590925305 990925113 /nfs/dbraw/zinc/92/51/13/990925113.db2.gz YGJHHGNSJOZGSB-UHFFFAOYSA-N -1 0 345.424 3.525 20 0 EHADRM COc1cccc2[nH]c(C(=O)Nc3sc(C)c(C)c3C(=O)[O-])cc21 ZINC001599687905 991016828 /nfs/dbraw/zinc/01/68/28/991016828.db2.gz CSBJBCDMOHEGCS-UHFFFAOYSA-N -1 0 344.392 3.805 20 0 EHADRM CC(C)[C@@H](C(=O)Nc1cccc(CC(=O)[O-])n1)c1cccc(Cl)c1 ZINC001590957542 991041011 /nfs/dbraw/zinc/04/10/11/991041011.db2.gz VRFKOZRCSDMTIH-QGZVFWFLSA-N -1 0 346.814 3.740 20 0 EHADRM CC(C)[C@@H](C(=O)Nc1cc(C(=O)[O-])cnc1Cl)c1ccccc1 ZINC001590957894 991044788 /nfs/dbraw/zinc/04/47/88/991044788.db2.gz XVDHZJKULMLUHV-CQSZACIVSA-N -1 0 332.787 3.812 20 0 EHADRM CC(C)[C@H](C(=O)NC[C@H](C(=O)[O-])C1CCCCC1)c1ccccc1 ZINC001590958264 991047184 /nfs/dbraw/zinc/04/71/84/991047184.db2.gz VCDIXNOEYUDDPX-ROUUACIJSA-N -1 0 331.456 3.824 20 0 EHADRM COc1cccc2c1CC[C@H](Nc1cc(C(=O)[O-])cc3cccnc31)C2 ZINC001599690414 991059458 /nfs/dbraw/zinc/05/94/58/991059458.db2.gz YBHHEUIYNRCJBI-INIZCTEOSA-N -1 0 348.402 3.911 20 0 EHADRM CC(C)[C@@H](C)N(C(=O)c1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC001590970263 991101980 /nfs/dbraw/zinc/10/19/80/991101980.db2.gz RKTARTLXXCUMQM-OAHLLOKOSA-N -1 0 341.407 3.841 20 0 EHADRM CC(C)[C@H](CC(=O)OCc1cccc(C(=O)[O-])n1)c1ccccc1 ZINC001590975390 991117613 /nfs/dbraw/zinc/11/76/13/991117613.db2.gz BJTNERRLJMHHTE-INIZCTEOSA-N -1 0 327.380 3.653 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)OC1CCC(CC(=O)[O-])CC1 ZINC001599698043 991177205 /nfs/dbraw/zinc/17/72/05/991177205.db2.gz KVJYLKLXUCRVQS-ACCUITESSA-N -1 0 332.396 3.675 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001599698539 991184256 /nfs/dbraw/zinc/18/42/56/991184256.db2.gz PABHRNAMOZPBOS-JTQLQIEISA-N -1 0 349.333 3.804 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)Nc1c(C)ccc(C(=O)[O-])c1O ZINC001599699202 991193674 /nfs/dbraw/zinc/19/36/74/991193674.db2.gz WNZOPLLSNHEGHR-LBPRGKRZSA-N -1 0 343.379 3.540 20 0 EHADRM CC(C)[C@H](Cc1ccc(F)cc1)[N@H+](C)Cc1nc(C(=O)[O-])cs1 ZINC001590993569 991213397 /nfs/dbraw/zinc/21/33/97/991213397.db2.gz OBYOFQRJBIHZMB-HNNXBMFYSA-N -1 0 336.432 3.680 20 0 EHADRM COc1ccccc1CC(=O)Nc1c(C)c(C(=O)[O-])ccc1Cl ZINC001599703645 991259754 /nfs/dbraw/zinc/25/97/54/991259754.db2.gz ADZIMUNAKREXOG-UHFFFAOYSA-N -1 0 333.771 3.536 20 0 EHADRM CC(C)[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)C1CC1 ZINC001591015050 991295813 /nfs/dbraw/zinc/29/58/13/991295813.db2.gz XCYLOISVHAQKJI-CYBMUJFWSA-N -1 0 342.342 3.542 20 0 EHADRM CN(C)c1cccc2sc(C(=O)Nc3cc(C(=O)[O-])cs3)cc21 ZINC001598342385 991412823 /nfs/dbraw/zinc/41/28/23/991412823.db2.gz LSYCOEDWTFRJJA-UHFFFAOYSA-N -1 0 346.433 3.979 20 0 EHADRM COc1ccccc1NC(=O)[C@@H](C)SCc1ccccc1C(=O)[O-] ZINC001599716080 991458311 /nfs/dbraw/zinc/45/83/11/991458311.db2.gz ZVZLEUOEHSFEHG-GFCCVEGCSA-N -1 0 345.420 3.654 20 0 EHADRM CC(C)[C@H](SCC(C)(C)C(=O)[O-])C(=O)Nc1ccccc1F ZINC001591052379 991459390 /nfs/dbraw/zinc/45/93/90/991459390.db2.gz QAKLVSKODPLPLF-ZDUSSCGKSA-N -1 0 327.421 3.633 20 0 EHADRM CN(C)c1ncc(CN2CCc3ccc(C(=O)[O-])cc32)c2ccccc21 ZINC001598354360 991468832 /nfs/dbraw/zinc/46/88/32/991468832.db2.gz WEOMYOMLPPFTAK-UHFFFAOYSA-N -1 0 347.418 3.562 20 0 EHADRM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001591057769 991470102 /nfs/dbraw/zinc/47/01/02/991470102.db2.gz JAMDFXTWYFEEJK-KUHUBIRLSA-N -1 0 330.428 3.606 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CNc2ncc(C(=O)[O-])cc2C(F)(F)F)CCO1 ZINC001591074328 991549915 /nfs/dbraw/zinc/54/99/15/991549915.db2.gz IOBRWYPQKUBIKH-GWCFXTLKSA-N -1 0 346.349 3.662 20 0 EHADRM CC(C)[C@H]1C[C@@H]1C(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001591080577 991585970 /nfs/dbraw/zinc/58/59/70/991585970.db2.gz UBGUCIIAKXBMJA-CABCVRRESA-N -1 0 345.420 3.844 20 0 EHADRM CC(C)C1CCC(NC(=O)Nc2ccc(C(=O)[O-])cc2N(C)C)CC1 ZINC001591080803 991587866 /nfs/dbraw/zinc/58/78/66/991587866.db2.gz DGJZKAMAASWDRJ-UHFFFAOYSA-N -1 0 347.459 3.787 20 0 EHADRM CC(C)[C@H]1CN(C(=O)NCc2ccc(C(=O)[O-])s2)c2ccccc21 ZINC001591093042 991651150 /nfs/dbraw/zinc/65/11/50/991651150.db2.gz ICDFIHDRPGEYDQ-CQSZACIVSA-N -1 0 344.436 3.916 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])c(F)c2)c2ccccc21 ZINC001591093358 991657294 /nfs/dbraw/zinc/65/72/94/991657294.db2.gz RBBXXUWFNXROOG-HNNXBMFYSA-N -1 0 327.355 3.924 20 0 EHADRM COc1nc(N[C@H](C)c2cccc(OC(C)C)c2)ccc1C(=O)[O-] ZINC001599731650 991717922 /nfs/dbraw/zinc/71/79/22/991717922.db2.gz KJKHNOPYOBPICK-GFCCVEGCSA-N -1 0 330.384 3.749 20 0 EHADRM CC(C)[C@@H]1N(C(=O)CCc2ocnc2C(=O)[O-])CC12CCCCCC2 ZINC001591100203 991721470 /nfs/dbraw/zinc/72/14/70/991721470.db2.gz VHADLRPIHJLPPH-KRWDZBQOSA-N -1 0 348.443 3.513 20 0 EHADRM CN(CC(F)F)C(=O)Nc1scc(-c2ccccc2)c1C(=O)[O-] ZINC001598430104 991790231 /nfs/dbraw/zinc/79/02/31/991790231.db2.gz GAMWDGJCHYPGHW-UHFFFAOYSA-N -1 0 340.351 3.842 20 0 EHADRM CC(C)C[C@@H](C)C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC001591131036 991824861 /nfs/dbraw/zinc/82/48/61/991824861.db2.gz OYRSAFKZGADMAV-DNVCBOLYSA-N -1 0 341.451 3.882 20 0 EHADRM CC(C)CCCC(=O)N[C@@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001591228157 992102846 /nfs/dbraw/zinc/10/28/46/992102846.db2.gz PXUGCCMSGHZTEA-WMZOPIPTSA-N -1 0 331.456 3.892 20 0 EHADRM CC(C)CCOC(=O)N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001591252392 992152756 /nfs/dbraw/zinc/15/27/56/992152756.db2.gz YICUHMOPTGAHFB-LBPRGKRZSA-N -1 0 333.306 3.603 20 0 EHADRM CC(C)CCO[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001591256290 992155021 /nfs/dbraw/zinc/15/50/21/992155021.db2.gz HTDXOCNXSUQMJQ-ZDUSSCGKSA-N -1 0 329.396 3.928 20 0 EHADRM CC(C)CCO[C@H](C)C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001591256372 992156347 /nfs/dbraw/zinc/15/63/47/992156347.db2.gz JLAIQMWVYLFSJC-SECBINFHSA-N -1 0 331.771 3.567 20 0 EHADRM CC(C)CCc1ccccc1NC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001591269521 992185779 /nfs/dbraw/zinc/18/57/79/992185779.db2.gz DXRMYQWTYWSBMF-GDBMZVCRSA-N -1 0 332.444 3.850 20 0 EHADRM CC(C)CN(C(=O)[C@H]1C[C@@H](C(=O)[O-])C1)[C@H](C)c1ccccc1Cl ZINC001591281061 992211873 /nfs/dbraw/zinc/21/18/73/992211873.db2.gz WKPNWNXLTUMTBH-MCIONIFRSA-N -1 0 337.847 3.996 20 0 EHADRM CC(C)CN(C(=O)CSc1ccc(Cl)cc1)C(C)(C)C(=O)[O-] ZINC001591281057 992212307 /nfs/dbraw/zinc/21/23/07/992212307.db2.gz WFVLGDHFLISDSA-UHFFFAOYSA-N -1 0 343.876 3.780 20 0 EHADRM CC(C)CN(C(=O)[C@H](C)c1ccc(Cl)cc1)C(C)(C)C(=O)[O-] ZINC001591281460 992215456 /nfs/dbraw/zinc/21/54/56/992215456.db2.gz OODGXOAMCTVBGM-GFCCVEGCSA-N -1 0 325.836 3.791 20 0 EHADRM CC(C)CN(C(=O)[C@@H](C)CCCc1ccccc1)C(C)(C)C(=O)[O-] ZINC001591281713 992219035 /nfs/dbraw/zinc/21/90/35/992219035.db2.gz YSTQYCUAUDGRSA-INIZCTEOSA-N -1 0 333.472 3.993 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC001591308828 992261817 /nfs/dbraw/zinc/26/18/17/992261817.db2.gz ASRWSFXZJVASFW-GOEBONIOSA-N -1 0 349.471 3.931 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC001591310075 992270488 /nfs/dbraw/zinc/27/04/88/992270488.db2.gz QSBRPPQBNBNRPH-HOTGVXAUSA-N -1 0 335.419 3.525 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC001591323921 992298625 /nfs/dbraw/zinc/29/86/25/992298625.db2.gz ZPZVDTXEEXONQR-MSOLQXFVSA-N -1 0 331.456 3.605 20 0 EHADRM CC(C)CN(CCC(=O)[O-])c1ncnc2sc3c(c21)CC[C@H](C)C3 ZINC001591339701 992318677 /nfs/dbraw/zinc/31/86/77/992318677.db2.gz USHMLMZWNWKLSS-LBPRGKRZSA-N -1 0 347.484 3.753 20 0 EHADRM CC(C)CN(Cc1ccccc1F)C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001591343842 992326189 /nfs/dbraw/zinc/32/61/89/992326189.db2.gz GOVNWBJLKAVUCC-JKSUJKDBSA-N -1 0 335.419 3.701 20 0 EHADRM CS[C@@H](C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)c1ccccc1 ZINC001599781661 992372380 /nfs/dbraw/zinc/37/23/80/992372380.db2.gz VBXBPACEVQJMDY-MRXNPFEDSA-N -1 0 340.404 3.909 20 0 EHADRM CC(C)COc1ccc(CC(=O)N(C)C2(C(=O)[O-])CCCCC2)cc1 ZINC001591396769 992461336 /nfs/dbraw/zinc/46/13/36/992461336.db2.gz PTEZPDXTHWIXMA-UHFFFAOYSA-N -1 0 347.455 3.510 20 0 EHADRM CC(C)COc1ccc([C@@H](C)OC(=O)c2cc(C(=O)[O-])ccn2)cc1 ZINC001591401533 992474141 /nfs/dbraw/zinc/47/41/41/992474141.db2.gz JJCJGCSXTOYOJP-CYBMUJFWSA-N -1 0 343.379 3.733 20 0 EHADRM CC(C)COc1ccccc1C[N@@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC001591409707 992485131 /nfs/dbraw/zinc/48/51/31/992485131.db2.gz LBIZCGWKIXFLNE-UHFFFAOYSA-N -1 0 339.435 3.978 20 0 EHADRM CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001591441834 992538881 /nfs/dbraw/zinc/53/88/81/992538881.db2.gz SBJGNVVMTMFCAJ-SIIHOXLZSA-N -1 0 337.847 3.524 20 0 EHADRM CN(Cc1ccc(-c2ccc(Cl)cc2)o1)c1ccnc(C(=O)[O-])n1 ZINC001598508800 992540516 /nfs/dbraw/zinc/54/05/16/992540516.db2.gz DAUFOGKOIBXGRR-UHFFFAOYSA-N -1 0 343.770 3.725 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CC[C@@H]1CCc2ccccc21 ZINC001598509889 992556396 /nfs/dbraw/zinc/55/63/96/992556396.db2.gz JQGDMVOTSWNMDU-KRWDZBQOSA-N -1 0 337.419 3.853 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001598511505 992571683 /nfs/dbraw/zinc/57/16/83/992571683.db2.gz QOMKAYQFSLDTNX-CGTJXYLNSA-N -1 0 344.455 3.885 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC001598511506 992571796 /nfs/dbraw/zinc/57/17/96/992571796.db2.gz QOMKAYQFSLDTNX-KBAYOESNSA-N -1 0 344.455 3.885 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cc(F)cc2ccoc21 ZINC001598512274 992576605 /nfs/dbraw/zinc/57/66/05/992576605.db2.gz XFUNAEJTMPPQOI-UHFFFAOYSA-N -1 0 327.311 3.542 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)Nc2ccc(C(=O)[O-])c(O)c2)cc1 ZINC001591484476 992611309 /nfs/dbraw/zinc/61/13/09/992611309.db2.gz YSICPYJLSMXNKA-UHFFFAOYSA-N -1 0 341.407 3.860 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)N2CCCC[C@@H]2CC(=O)[O-])c1 ZINC001591489330 992619646 /nfs/dbraw/zinc/61/96/46/992619646.db2.gz QGNKRQAWWPNVMM-MAUKXSAKSA-N -1 0 331.456 3.844 20 0 EHADRM CC(C)Cc1ccccc1C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001591489531 992620627 /nfs/dbraw/zinc/62/06/27/992620627.db2.gz VCOPPNZPNHAAQW-UHFFFAOYSA-N -1 0 325.408 3.856 20 0 EHADRM CC(C)Cc1ccccc1COC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC001591491085 992628135 /nfs/dbraw/zinc/62/81/35/992628135.db2.gz XWADUYODHOMGMF-UHFFFAOYSA-N -1 0 330.424 3.963 20 0 EHADRM CC(C)N(CCc1ccccc1)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001591595258 992816790 /nfs/dbraw/zinc/81/67/90/992816790.db2.gz HICWQWPZWXRTCU-UHFFFAOYSA-N -1 0 329.371 3.617 20 0 EHADRM CCN(C(=O)Nc1cc(C(=O)[O-])ccc1OC(F)(F)F)C(C)C ZINC000275014057 1015751408 /nfs/dbraw/zinc/75/14/08/1015751408.db2.gz NUCPRXDJVHPNAH-UHFFFAOYSA-N -1 0 334.294 3.546 20 0 EHADRM CN1CCCN(Cc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc21 ZINC001598601190 993572344 /nfs/dbraw/zinc/57/23/44/993572344.db2.gz KDSATXSPOIQUNT-UHFFFAOYSA-N -1 0 330.815 3.885 20 0 EHADRM C[C@@H](NC(=O)NC[C@@H](CC(=O)[O-])C1CC1)c1cccc2ccccc21 ZINC001593081111 993656935 /nfs/dbraw/zinc/65/69/35/993656935.db2.gz GAAFDVFCHKSIMU-CZUORRHYSA-N -1 0 340.423 3.701 20 0 EHADRM C[C@H](NC(=O)NCCCCCCC(=O)[O-])c1cccc(C2CC2)c1 ZINC001593095006 993716254 /nfs/dbraw/zinc/71/62/54/993716254.db2.gz QNNBIFZDCCBEKI-AWEZNQCLSA-N -1 0 332.444 3.959 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2cc(C)cc(Br)c2[O-])cc1 ZINC000182903373 1015804664 /nfs/dbraw/zinc/80/46/64/1015804664.db2.gz LXGBTURQBOYJKQ-UHFFFAOYSA-N -1 0 348.196 3.918 20 0 EHADRM C[C@H](NC(=O)c1ccc(F)c2ccccc12)c1ncc(C(=O)[O-])s1 ZINC001593164064 994004192 /nfs/dbraw/zinc/00/41/92/994004192.db2.gz XEWMSDMZKAYQLZ-VIFPVBQESA-N -1 0 344.367 3.625 20 0 EHADRM C[C@@H](NC(=O)c1ccccc1C(F)F)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593178592 994057673 /nfs/dbraw/zinc/05/76/73/994057673.db2.gz CVIUBJXJGFKDGX-WBMJQRKESA-N -1 0 347.361 3.686 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1C ZINC001599620461 994073295 /nfs/dbraw/zinc/07/32/95/994073295.db2.gz QLOBCTGXPJJPJC-LLVKDONJSA-N -1 0 346.358 3.724 20 0 EHADRM COc1ccc([C@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1C ZINC001599620588 994075173 /nfs/dbraw/zinc/07/51/73/994075173.db2.gz GTSJZZSVNHABSX-NSHDSACASA-N -1 0 346.358 3.724 20 0 EHADRM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1nc(C2CCCCC2)no1 ZINC001593194170 994131121 /nfs/dbraw/zinc/13/11/21/994131121.db2.gz AVGMOSVEUMSLSX-IAQYHMDHSA-N -1 0 347.390 3.733 20 0 EHADRM COc1ccc2c(CC(=O)O[C@H](C)c3cc(C(=O)[O-])co3)coc2c1 ZINC001599625480 994142402 /nfs/dbraw/zinc/14/24/02/994142402.db2.gz ITJRMWSEZCHAFJ-SNVBAGLBSA-N -1 0 344.319 3.580 20 0 EHADRM C[C@@H](N[C@@H](C)c1ccc(C(=O)[O-])o1)c1cc(Cl)cc2c1OCC2 ZINC001593198490 994173143 /nfs/dbraw/zinc/17/31/43/994173143.db2.gz RMFILNXEPTVKTR-ZJUUUORDSA-N -1 0 335.787 3.978 20 0 EHADRM C[C@H](N[C@@H](C)c1nc(-c2cccc(F)c2)no1)c1ccc(C(=O)[O-])o1 ZINC001593203035 994184434 /nfs/dbraw/zinc/18/44/34/994184434.db2.gz CDKMCQRHWZNUDG-UWVGGRQHSA-N -1 0 345.330 3.579 20 0 EHADRM COc1ccc2c(c1)N(Cc1cc(C(=O)[O-])sc1C)C[C@H](C)O2 ZINC001599630154 994205633 /nfs/dbraw/zinc/20/56/33/994205633.db2.gz TWKNWUJWLVECNH-JTQLQIEISA-N -1 0 333.409 3.551 20 0 EHADRM COc1ccc2cc(NC(=O)/C=C/c3ccc(C(=O)[O-])o3)ccc2c1 ZINC001599634383 994264593 /nfs/dbraw/zinc/26/45/93/994264593.db2.gz MOXOAQCUZYNROJ-VQHVLOKHSA-N -1 0 337.331 3.792 20 0 EHADRM COc1ccc2cc([C@H](C)OC(=O)c3c[nH]c(C(=O)[O-])c3)ccc2c1 ZINC001599635872 994287496 /nfs/dbraw/zinc/28/74/96/994287496.db2.gz UKORIPBFWSPOEG-NSHDSACASA-N -1 0 339.347 3.793 20 0 EHADRM C[C@@H](N[C@@H]1CCCc2c(Cl)ccnc21)c1ncc(C(=O)[O-])s1 ZINC001593218748 994290834 /nfs/dbraw/zinc/29/08/34/994290834.db2.gz KEKXKLHSXWESSZ-LDYMZIIASA-N -1 0 337.832 3.618 20 0 EHADRM COc1ccc2oc(C(=O)OC3CCC(C(=O)[O-])CC3)c(C)c2c1 ZINC001599638041 994317945 /nfs/dbraw/zinc/31/79/45/994317945.db2.gz SEKLRYKHVZARHZ-UHFFFAOYSA-N -1 0 332.352 3.550 20 0 EHADRM COc1cccc(-n2ccnc2SCc2cccc(C(=O)[O-])c2)c1 ZINC001599640017 994344757 /nfs/dbraw/zinc/34/47/57/994344757.db2.gz BMFVLTCUCFTBOA-UHFFFAOYSA-N -1 0 340.404 3.871 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)c1cc(Cl)ccc1C ZINC001599643757 994394363 /nfs/dbraw/zinc/39/43/63/994394363.db2.gz OBNSBEIRWHEPDU-UHFFFAOYSA-N -1 0 333.771 3.632 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)[C@@H](C)CCCc1ccccc1 ZINC001599644323 994404135 /nfs/dbraw/zinc/40/41/35/994404135.db2.gz NOJHXANWSVXZCM-AWEZNQCLSA-N -1 0 342.391 3.958 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)[C@H](C)CCCc1ccccc1 ZINC001599644325 994404146 /nfs/dbraw/zinc/40/41/46/994404146.db2.gz NOJHXANWSVXZCM-CQSZACIVSA-N -1 0 342.391 3.958 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)Cc1cccc(C)c1Cl ZINC001599646537 994432255 /nfs/dbraw/zinc/43/22/55/994432255.db2.gz ZDCGXNAMEVMFLL-UHFFFAOYSA-N -1 0 347.798 3.561 20 0 EHADRM COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)[C@@H](C)CC2CCCCC2)c1 ZINC001599647615 994447185 /nfs/dbraw/zinc/44/71/85/994447185.db2.gz LPYRJFVHIPXGAB-KSSFIOAISA-N -1 0 347.455 3.886 20 0 EHADRM COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)[C@H](C)CC2CCCCC2)c1 ZINC001599647613 994447330 /nfs/dbraw/zinc/44/73/30/994447330.db2.gz LPYRJFVHIPXGAB-KDOFPFPSSA-N -1 0 347.455 3.886 20 0 EHADRM COc1cccc([C@H](C(=O)[O-])N(C)Cc2cccc(Cl)c2F)c1 ZINC001599649027 994467573 /nfs/dbraw/zinc/46/75/73/994467573.db2.gz CCKVAXPXOPTIRY-MRXNPFEDSA-N -1 0 337.778 3.745 20 0 EHADRM COc1cccc([C@H](C(=O)[O-])N(C)C(=O)c2cccc(C(F)F)c2)c1 ZINC001599649142 994469446 /nfs/dbraw/zinc/46/94/46/994469446.db2.gz OJVJOJMUDOEIHQ-OAHLLOKOSA-N -1 0 349.333 3.531 20 0 EHADRM COc1cccc([C@@H](C(=O)[O-])N(Cc2ccccc2)CC(F)F)c1 ZINC001599651094 994500935 /nfs/dbraw/zinc/50/09/35/994500935.db2.gz SCQUVSTZEFRTTB-KRWDZBQOSA-N -1 0 335.350 3.588 20 0 EHADRM COc1cccc([C@H](C)CC(=O)OCc2ccc(C(=O)[O-])cc2F)c1 ZINC001599655387 994570340 /nfs/dbraw/zinc/57/03/40/994570340.db2.gz PHBFUMXOHISKRP-GFCCVEGCSA-N -1 0 346.354 3.770 20 0 EHADRM C[C@@H](NCc1ccc(C(=O)[O-])n1C)c1nc(-c2ccccc2)cs1 ZINC001593295234 994689956 /nfs/dbraw/zinc/68/99/56/994689956.db2.gz DBPSWUORSIMADJ-GFCCVEGCSA-N -1 0 341.436 3.698 20 0 EHADRM COc1cccc([C@H]2CCCN2C(=O)Nc2ccsc2C(=O)[O-])c1 ZINC001599666860 994743475 /nfs/dbraw/zinc/74/34/75/994743475.db2.gz SJJXFNMLGZPVLA-CQSZACIVSA-N -1 0 346.408 3.824 20 0 EHADRM O=S(=O)([N-]c1cccc2c1CCCC2)c1ccc(F)c(F)c1F ZINC000016130713 1015899661 /nfs/dbraw/zinc/89/96/61/1015899661.db2.gz MFKCUONFEVRXCJ-UHFFFAOYSA-N -1 0 341.354 3.784 20 0 EHADRM CNc1ccc(Cl)c(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC001598679975 994911416 /nfs/dbraw/zinc/91/14/16/994911416.db2.gz QWWTWTKPZDQQBC-NSHDSACASA-N -1 0 346.814 3.897 20 0 EHADRM C[C@@H](Nc1cc(C(=O)[O-])ncn1)c1ccc(Oc2cccnc2)cc1 ZINC001593359360 995015332 /nfs/dbraw/zinc/01/53/32/995015332.db2.gz CJQRLBHBKSZCED-GFCCVEGCSA-N -1 0 336.351 3.535 20 0 EHADRM C[C@H](Nc1ccc(N(C)C(=O)OC(C)(C)C)cc1)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001593362427 995031751 /nfs/dbraw/zinc/03/17/51/995031751.db2.gz HIKRAURPDYMWKN-CQDKDKBSSA-N -1 0 334.416 3.579 20 0 EHADRM C[C@H](Nc1ccc(Cl)cc1SCCC(=O)[O-])c1nccn1C ZINC001593363868 995038170 /nfs/dbraw/zinc/03/81/70/995038170.db2.gz WCZSCTINDNSVOC-JTQLQIEISA-N -1 0 339.848 3.813 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H]2CC[C@H](C(C)C)CC2)cc1 ZINC000683296057 1015934063 /nfs/dbraw/zinc/93/40/63/1015934063.db2.gz GHYMQSLBQVKMPV-QGPMSJSTSA-N -1 0 347.455 3.790 20 0 EHADRM COC(=O)[C@H](SCc1ccccc1C(=O)[O-])c1ccccc1F ZINC001598712804 995368051 /nfs/dbraw/zinc/36/80/51/995368051.db2.gz RXHGRUSXTHJJNO-OAHLLOKOSA-N -1 0 334.368 3.671 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)C2CCCC2)c(C)c1C ZINC000079154275 1015956635 /nfs/dbraw/zinc/95/66/35/1015956635.db2.gz NUIACFJLPRTHBL-ZDUSSCGKSA-N -1 0 339.457 3.784 20 0 EHADRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])o1)c1ccccc1Br ZINC001593575666 995683000 /nfs/dbraw/zinc/68/30/00/995683000.db2.gz UFXANLMCUACLBH-MRVPVSSYSA-N -1 0 339.141 3.658 20 0 EHADRM C[C@H](OC(=O)c1ccsc1CC(=O)[O-])c1ccc(F)c(F)c1 ZINC001593597028 995736899 /nfs/dbraw/zinc/73/68/99/995736899.db2.gz GHIXIKMIGCKIAL-QMMMGPOBSA-N -1 0 326.320 3.571 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC001593602331 995762845 /nfs/dbraw/zinc/76/28/45/995762845.db2.gz CJGSKTSWWJWWBS-YOEHRIQHSA-N -1 0 339.476 3.512 20 0 EHADRM C[C@@H](OC1CCCCC1)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001593602757 995765234 /nfs/dbraw/zinc/76/52/34/995765234.db2.gz JZIXLJAXHIIWHN-SNVBAGLBSA-N -1 0 325.792 3.715 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)O[C@@H](C(=O)[O-])c1ccsc1 ZINC001593604466 995777343 /nfs/dbraw/zinc/77/73/43/995777343.db2.gz QQMNLDNOHDZPRV-BXUZGUMPSA-N -1 0 326.414 3.545 20 0 EHADRM CC(C)N(Cc1ccccc1)C(=O)[C@H](C)Oc1ccc(C(=O)[O-])cc1 ZINC001593611422 995807468 /nfs/dbraw/zinc/80/74/68/995807468.db2.gz AVZCRXIHFHHGTE-HNNXBMFYSA-N -1 0 341.407 3.589 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc(Cl)c(F)c1 ZINC000238163935 1015982043 /nfs/dbraw/zinc/98/20/43/1015982043.db2.gz TWLMKMNWIXMGMS-CQSZACIVSA-N -1 0 339.725 3.564 20 0 EHADRM CN(CC(C)(C)C)C(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC000234280501 1015982256 /nfs/dbraw/zinc/98/22/56/1015982256.db2.gz YCQCALOXGFIXFD-UHFFFAOYSA-N -1 0 343.221 3.657 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)CCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000037448201 1015986580 /nfs/dbraw/zinc/98/65/80/1015986580.db2.gz IKGNUHMSIBTMEG-LKFCYVNXSA-N -1 0 332.227 3.542 20 0 EHADRM CC(C)c1cccc(O[C@H](C)C(=O)O[C@H](C(=O)[O-])c2ccccc2)c1 ZINC001593636519 995937231 /nfs/dbraw/zinc/93/72/31/995937231.db2.gz QDAWVHGTBNGGBQ-KDOFPFPSSA-N -1 0 342.391 3.946 20 0 EHADRM C[C@@H](Oc1ccccc1NCc1ccc(C(=O)[O-])cn1)C(F)(F)F ZINC001593652012 996015923 /nfs/dbraw/zinc/01/59/23/996015923.db2.gz VTHVGGZNUAEZLR-SNVBAGLBSA-N -1 0 340.301 3.722 20 0 EHADRM C[C@H](SCC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC001593656995 996029841 /nfs/dbraw/zinc/02/98/41/996029841.db2.gz XCZRWYMLAMNPEF-LURJTMIESA-N -1 0 341.738 3.504 20 0 EHADRM CC(C)[C@H](S[C@H](C)C(=O)[O-])C(=O)Nc1ccccc1C(F)(F)F ZINC001593659457 996035319 /nfs/dbraw/zinc/03/53/19/996035319.db2.gz TVAQEBGUJRBQOB-SKDRFNHKSA-N -1 0 349.374 3.875 20 0 EHADRM C[C@@H](SCc1ccc(C(=O)[O-])cc1)C(=O)N(C)C1CCCCC1 ZINC001593661729 996039269 /nfs/dbraw/zinc/03/92/69/996039269.db2.gz NABHUDHDUFVXMN-CYBMUJFWSA-N -1 0 335.469 3.798 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)OC1CC(CC(=O)[O-])C1 ZINC001593664071 996048733 /nfs/dbraw/zinc/04/87/33/996048733.db2.gz FXLRUSXCLQPQOG-GRZMOONWSA-N -1 0 328.817 3.617 20 0 EHADRM C[C@H](SCc1cn(CC(=O)[O-])nn1)c1ccc(Cl)c(Cl)c1 ZINC001593664158 996049452 /nfs/dbraw/zinc/04/94/52/996049452.db2.gz XYWFMEGMIJVOMZ-QMMMGPOBSA-N -1 0 346.239 3.664 20 0 EHADRM C[C@@H](Sc1nc(C(=O)[O-])cs1)c1nc(-c2cccs2)no1 ZINC001593678805 996095233 /nfs/dbraw/zinc/09/52/33/996095233.db2.gz ACFMSKPNVAZWGG-ZCFIWIBFSA-N -1 0 339.423 3.806 20 0 EHADRM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001593692987 996141787 /nfs/dbraw/zinc/14/17/87/996141787.db2.gz IICFZAAASSEQNL-JTQLQIEISA-N -1 0 334.322 3.888 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc2)oc1C ZINC000683302675 1016015398 /nfs/dbraw/zinc/01/53/98/1016015398.db2.gz OOARBMSITMXDLL-UHFFFAOYSA-N -1 0 330.384 3.788 20 0 EHADRM Cc1ccc(C[C@H]2CCCN(C(=O)CC(C)(C)CC(=O)[O-])C2)cc1 ZINC000683303006 1016016504 /nfs/dbraw/zinc/01/65/04/1016016504.db2.gz YNZGSMYIMYZNIA-QGZVFWFLSA-N -1 0 331.456 3.667 20 0 EHADRM C[C@H](c1nc(-c2cccc(C(=O)[O-])c2)no1)N1CCc2ccccc2C1 ZINC001593725645 996280597 /nfs/dbraw/zinc/28/05/97/996280597.db2.gz ZIVHMLVVBHNJBE-CYBMUJFWSA-N -1 0 349.390 3.554 20 0 EHADRM C[C@H](c1nc(C(=O)[O-])co1)N1CCc2cc(C(F)(F)F)ccc2C1 ZINC001593728108 996288337 /nfs/dbraw/zinc/28/83/37/996288337.db2.gz BFSOPJWQHQCZNZ-SECBINFHSA-N -1 0 340.301 3.511 20 0 EHADRM C[C@@H](c1ncc(C(=O)[O-])s1)N1CCC[C@@](F)(c2ccccc2)C1 ZINC001593732088 996308459 /nfs/dbraw/zinc/30/84/59/996308459.db2.gz NOJFFLBTEQRGGS-SJCJKPOMSA-N -1 0 334.416 3.863 20 0 EHADRM O=C([O-])CCN(C(=O)CCCc1ccc2ccccc2c1)C1CC1 ZINC000683305596 1016030472 /nfs/dbraw/zinc/03/04/72/1016030472.db2.gz RRBXIRJIRITJEF-UHFFFAOYSA-N -1 0 325.408 3.628 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C2=C(c3ccccc3)CCCC2)C1 ZINC001593764557 996438973 /nfs/dbraw/zinc/43/89/73/996438973.db2.gz JENCKVQBZNIPOC-FQEVSTJZSA-N -1 0 327.424 3.728 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@H](CC2CCC2)c2ccccc2)C1 ZINC001593767452 996449603 /nfs/dbraw/zinc/44/96/03/996449603.db2.gz BKXFLIABDPSAGR-YLJYHZDGSA-N -1 0 344.455 3.814 20 0 EHADRM CC(F)(F)c1ccccc1NC(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001593771089 996462438 /nfs/dbraw/zinc/46/24/38/996462438.db2.gz KEVWTJTXILIFIW-OAHLLOKOSA-N -1 0 326.343 3.517 20 0 EHADRM CC1(C)C[C@@H](C(=O)Nc2cccc(C(=O)[O-])c2)c2ccccc2O1 ZINC001593848133 996618002 /nfs/dbraw/zinc/61/80/02/996618002.db2.gz JWTSIOQJKQYFDW-OAHLLOKOSA-N -1 0 325.364 3.668 20 0 EHADRM CC1(C)CC(CNC(=O)c2ccc(/C=C/C(=O)[O-])o2)CC(C)(C)C1 ZINC001593853624 996633039 /nfs/dbraw/zinc/63/30/39/996633039.db2.gz NFXRKVAYKWBJHX-SOFGYWHQSA-N -1 0 333.428 3.960 20 0 EHADRM CC1(C)C[C@H](NC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)c2ccccc21 ZINC001593857522 996645137 /nfs/dbraw/zinc/64/51/37/996645137.db2.gz VPMAXGORAZKVKP-SPEDKVCISA-N -1 0 349.430 3.784 20 0 EHADRM CC1(C)C[C@@H](c2ccccc2)CN1C(=O)Cc1ccccc1C(=O)[O-] ZINC001593863575 996663315 /nfs/dbraw/zinc/66/33/15/996663315.db2.gz JOQAHZDJCCCSMX-QGZVFWFLSA-N -1 0 337.419 3.722 20 0 EHADRM CC1(C)CCC(NC(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)CC1 ZINC001593881588 996711676 /nfs/dbraw/zinc/71/16/76/996711676.db2.gz CPORVOSGZUCYSD-UHFFFAOYSA-N -1 0 329.400 3.956 20 0 EHADRM CC1(C)CCC[C@@H](CNC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)C1 ZINC001593888470 996733092 /nfs/dbraw/zinc/73/30/92/996733092.db2.gz ZVECYICTKWQQEL-LLVKDONJSA-N -1 0 344.415 3.599 20 0 EHADRM CC1(C)CCC[C@H]1[C@@H]1CCN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)C1 ZINC001593899089 996762309 /nfs/dbraw/zinc/76/23/09/996762309.db2.gz ZZFUJRXYIMZARS-CABCVRRESA-N -1 0 333.472 3.696 20 0 EHADRM CC1(C)CCN(C(=O)c2cc(C(=O)[O-])co2)C[C@@H]1c1ccccc1 ZINC001593911875 996806876 /nfs/dbraw/zinc/80/68/76/996806876.db2.gz QVSXLWYFBIZRHN-OAHLLOKOSA-N -1 0 327.380 3.634 20 0 EHADRM COCc1c(Cl)cccc1NC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001599279119 996863775 /nfs/dbraw/zinc/86/37/75/996863775.db2.gz SPAXSRAKTLQKND-UHFFFAOYSA-N -1 0 333.771 3.745 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)c2ccccc21 ZINC001593934742 996902640 /nfs/dbraw/zinc/90/26/40/996902640.db2.gz HRWPPRFHYRTHQQ-UHFFFAOYSA-N -1 0 346.333 3.993 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)[C@H]1c1cccnc1 ZINC001593935381 996909877 /nfs/dbraw/zinc/90/98/77/996909877.db2.gz XYPZXLFVZBPTLO-HNNXBMFYSA-N -1 0 343.358 3.534 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2sccc2C(F)F)c1F ZINC001599490771 996934610 /nfs/dbraw/zinc/93/46/10/996934610.db2.gz BVTTUFNJRZIBGU-UHFFFAOYSA-N -1 0 345.298 3.784 20 0 EHADRM COCc1cc(NC(=O)N2CC[C@@H](C)C3(CCC3)C2)cc(C(=O)[O-])c1 ZINC001599284592 996953176 /nfs/dbraw/zinc/95/31/76/996953176.db2.gz FLPHUGZCJUPACE-CYBMUJFWSA-N -1 0 346.427 3.575 20 0 EHADRM COCc1cc(NC(=O)N2CCC[C@H]2C2CCCC2)cc(C(=O)[O-])c1 ZINC001599285468 996969965 /nfs/dbraw/zinc/96/99/65/996969965.db2.gz OVSFZQYERHTAJL-KRWDZBQOSA-N -1 0 346.427 3.718 20 0 EHADRM COC[C@@H](SCCOc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001599185449 997017638 /nfs/dbraw/zinc/01/76/38/997017638.db2.gz CSCJKYMBTLSUOD-QGZVFWFLSA-N -1 0 332.421 3.885 20 0 EHADRM COCc1ccc(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])cc1F ZINC001599290093 997049200 /nfs/dbraw/zinc/04/92/00/997049200.db2.gz BKVVIPIPKWTKPV-UHFFFAOYSA-N -1 0 349.383 3.862 20 0 EHADRM O=C([O-])c1cc(NC(=O)Cc2cccc3cccnc32)ccc1Cl ZINC000683313542 1016089815 /nfs/dbraw/zinc/08/98/15/1016089815.db2.gz RZMRHUDMVCWWMY-UHFFFAOYSA-N -1 0 340.766 3.768 20 0 EHADRM COc1cc(C)c(NC(=O)c2ccc(C(=O)[O-])cc2F)c(C)c1C ZINC001599394353 997098135 /nfs/dbraw/zinc/09/81/35/997098135.db2.gz YXFVIBDNUFXXCV-UHFFFAOYSA-N -1 0 331.343 3.710 20 0 EHADRM COC1(CC(=O)Nc2cc(C(=O)[O-])cc(Cl)c2Cl)CCC1 ZINC001599087804 997130757 /nfs/dbraw/zinc/13/07/57/997130757.db2.gz YNUNLFWESFLLDU-UHFFFAOYSA-N -1 0 332.183 3.589 20 0 EHADRM COCc1cccc(C(=O)N2CCCCc3cc(C(=O)[O-])ccc32)c1 ZINC001599295532 997133846 /nfs/dbraw/zinc/13/38/46/997133846.db2.gz QWSVXCPJOJLWMX-UHFFFAOYSA-N -1 0 339.391 3.514 20 0 EHADRM COc1cc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)ccc1Cl ZINC000683313853 1016095876 /nfs/dbraw/zinc/09/58/76/1016095876.db2.gz VQMKGFRGCFXMCP-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OCC(=O)CCC1CCCC1 ZINC001599398908 997178980 /nfs/dbraw/zinc/17/89/80/997178980.db2.gz MXXPJIMYZRKWAU-FLIBITNWSA-N -1 0 332.396 3.711 20 0 EHADRM COc1ccc(/C(C)=C/C(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001599505068 997198395 /nfs/dbraw/zinc/19/83/95/997198395.db2.gz CQXQOSILNBNXMZ-PKNBQFBNSA-N -1 0 329.327 3.575 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1Oc1ncnc2ccc(F)cc21 ZINC001599400544 997206577 /nfs/dbraw/zinc/20/65/77/997206577.db2.gz OLKLDBXNUWRBIA-XVNBXDOJSA-N -1 0 340.310 3.668 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC001599508574 997255344 /nfs/dbraw/zinc/25/53/44/997255344.db2.gz IVXHLONKALDZQB-SNVBAGLBSA-N -1 0 333.771 3.538 20 0 EHADRM COc1cc(CCNc2ncc(C(=O)[O-])cc2Cl)ccc1Cl ZINC001599403825 997260832 /nfs/dbraw/zinc/26/08/32/997260832.db2.gz BOBIRRDYCVPLMQ-UHFFFAOYSA-N -1 0 341.194 3.750 20 0 EHADRM COc1cc(CN2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)ccc1F ZINC001599409266 997388924 /nfs/dbraw/zinc/38/89/24/997388924.db2.gz WHCHGAWYOIKISB-IRXDYDNUSA-N -1 0 329.371 3.625 20 0 EHADRM COc1ccc([C@H](NC(=O)Nc2cccc(C(=O)[O-])c2)C(C)C)cc1 ZINC001599522434 997503874 /nfs/dbraw/zinc/50/38/74/997503874.db2.gz REKRWDCSOOXINU-QGZVFWFLSA-N -1 0 342.395 3.912 20 0 EHADRM CON(C[C@H]1CCC[C@H](C)C1)C(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001599317492 997525722 /nfs/dbraw/zinc/52/57/22/997525722.db2.gz NNWHOJOTHGEAQP-JSGCOSHPSA-N -1 0 334.416 3.915 20 0 EHADRM CON(Cc1ccccc1)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001599319364 997554084 /nfs/dbraw/zinc/55/40/84/997554084.db2.gz XQEHIZLEFOPUCE-UHFFFAOYSA-N -1 0 334.759 3.634 20 0 EHADRM COc1cc(Cl)c(/C=C\c2ncncc2C(=O)[O-])cc1Cl ZINC001599418695 997556618 /nfs/dbraw/zinc/55/66/18/997556618.db2.gz NGMZHJPIJLGUBV-IHWYPQMZSA-N -1 0 325.151 3.661 20 0 EHADRM CO[C@@H](C(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21)c1ccccc1 ZINC001599320225 997567776 /nfs/dbraw/zinc/56/77/76/997567776.db2.gz XNWLPYAHUSSTSJ-ZWKOTPCHSA-N -1 0 340.375 3.693 20 0 EHADRM CO[C@H]1CCC[C@H](CC(=O)Nc2ccc(OC(C)C)cc2C(=O)[O-])C1 ZINC001599111145 997570967 /nfs/dbraw/zinc/57/09/67/997570967.db2.gz ARWFKXGDPZRDEQ-KBPBESRZSA-N -1 0 349.427 3.706 20 0 EHADRM COCC[C@H](N[C@@H](C(=O)[O-])c1ccccc1Cl)c1ccc(C)o1 ZINC001599218007 997616115 /nfs/dbraw/zinc/61/61/15/997616115.db2.gz OLRURNCOGHNMKI-GOEBONIOSA-N -1 0 337.803 3.735 20 0 EHADRM CO[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1Cl ZINC001599116416 997661598 /nfs/dbraw/zinc/66/15/98/997661598.db2.gz WCTSQMPZRHGQJG-LDYMZIIASA-N -1 0 346.210 3.835 20 0 EHADRM O=C(Nc1cccc(Oc2cnccn2)c1)c1ccc([O-])c(Cl)c1 ZINC000047511828 1016144983 /nfs/dbraw/zinc/14/49/83/1016144983.db2.gz CSGHBZZTCSZSKE-UHFFFAOYSA-N -1 0 341.754 3.880 20 0 EHADRM C[C@]1(F)CCCN(C(=O)Nc2cccc(SCCC(=O)[O-])c2)C1 ZINC001594045151 997697500 /nfs/dbraw/zinc/69/75/00/997697500.db2.gz OMQQPQPESKRCBH-INIZCTEOSA-N -1 0 340.420 3.609 20 0 EHADRM COCCCCCNC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001599223778 997719310 /nfs/dbraw/zinc/71/93/10/997719310.db2.gz RKPAJZXMJOAFKW-UHFFFAOYSA-N -1 0 341.407 3.598 20 0 EHADRM COCCC[C@@H](C)C(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1 ZINC001599226001 997761170 /nfs/dbraw/zinc/76/11/70/997761170.db2.gz WCLACDHPXBVQBY-SNVBAGLBSA-N -1 0 340.445 3.500 20 0 EHADRM COc1cc(NC(=O)[C@H](C)CCC(C)(C)C)c(C(=O)[O-])cc1OC ZINC001599433454 997801433 /nfs/dbraw/zinc/80/14/33/997801433.db2.gz SYXRZAXWQKCGBE-LLVKDONJSA-N -1 0 337.416 3.803 20 0 EHADRM COC(=O)c1cc(CNc2cccc3cc(C(=O)[O-])sc32)oc1C ZINC001598933838 997823642 /nfs/dbraw/zinc/82/36/42/997823642.db2.gz VNKVVHDOONGUKE-UHFFFAOYSA-N -1 0 345.376 3.900 20 0 EHADRM COC(=O)c1cc(CNc2ccc(C)c(C(=O)[O-])c2)[nH]c1C(C)C ZINC001598933941 997826122 /nfs/dbraw/zinc/82/61/22/997826122.db2.gz ZVCIMAXWKDUXPZ-UHFFFAOYSA-N -1 0 330.384 3.543 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)C[C@@H]1CCCC[C@H]1C ZINC001599541386 997849104 /nfs/dbraw/zinc/84/91/04/997849104.db2.gz CNSMBTYYCZKETF-VLODSAPTSA-N -1 0 332.396 3.915 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)CCc1cccc(C)c1 ZINC001599541880 997856953 /nfs/dbraw/zinc/85/69/53/997856953.db2.gz FYPCRHSRXSZQRU-JXMROGBWSA-N -1 0 340.375 3.640 20 0 EHADRM COc1c(NC(=O)[C@H](C)c2cccc(Cl)c2)cccc1C(=O)[O-] ZINC001599338442 997880406 /nfs/dbraw/zinc/88/04/06/997880406.db2.gz WLASLYUZYGTVEV-SNVBAGLBSA-N -1 0 333.771 3.789 20 0 EHADRM COc1cc(NC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])cc2ccccc21 ZINC001599439272 997905303 /nfs/dbraw/zinc/90/53/03/997905303.db2.gz FRMIDYIEMIOHNP-XJKSGUPXSA-N -1 0 342.395 3.613 20 0 EHADRM COc1ccc(/C=C/C(=O)Nc2c(Cl)ccc(F)c2C(=O)[O-])cc1 ZINC001599545361 997913142 /nfs/dbraw/zinc/91/31/42/997913142.db2.gz YCRIYDDUQIGGJL-RUDMXATFSA-N -1 0 349.745 3.838 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1Oc1c(F)c(F)nc(F)c1F ZINC001599545724 997918604 /nfs/dbraw/zinc/91/86/04/997918604.db2.gz HUDRJQNDNZWPQL-HWKANZROSA-N -1 0 343.232 3.537 20 0 EHADRM COc1c(NC(=O)N2Cc3ccc(Cl)cc3C2)cccc1C(=O)[O-] ZINC001599341294 997926662 /nfs/dbraw/zinc/92/66/62/997926662.db2.gz RSZINWOVTOXCAB-UHFFFAOYSA-N -1 0 346.770 3.595 20 0 EHADRM COc1c(NC(=O)c2cncc(-c3ccccc3)c2)cccc1C(=O)[O-] ZINC001599341433 997929212 /nfs/dbraw/zinc/92/92/12/997929212.db2.gz CDDWFVMVZVHVJB-UHFFFAOYSA-N -1 0 348.358 3.708 20 0 EHADRM COc1c(NC(=O)Nc2cccc(SC)c2)cccc1C(=O)[O-] ZINC001599343349 997959380 /nfs/dbraw/zinc/95/93/80/997959380.db2.gz XWCMCDIABLIYCM-UHFFFAOYSA-N -1 0 332.381 3.759 20 0 EHADRM COc1cc(NCc2[nH]cc(C(=O)[O-])c2C2CC2)cc2cccnc21 ZINC001599443409 997967822 /nfs/dbraw/zinc/96/78/22/997967822.db2.gz FDKHUEVPQHSQOH-UHFFFAOYSA-N -1 0 337.379 3.759 20 0 EHADRM COc1cc(N[C@H](C)c2ccccc2OCC(=O)[O-])ccc1Cl ZINC001599443698 997972756 /nfs/dbraw/zinc/97/27/56/997972756.db2.gz XVSNHJKDMNUTMR-LLVKDONJSA-N -1 0 335.787 3.985 20 0 EHADRM COc1cc(NCc2ccc(OCC(=O)[O-])cc2)cc2ccccc21 ZINC001599444136 997979382 /nfs/dbraw/zinc/97/93/82/997979382.db2.gz XQWLIRDKIHBMRW-UHFFFAOYSA-N -1 0 337.375 3.924 20 0 EHADRM COc1c(OC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)ccc2ccccc21 ZINC001599344851 997984303 /nfs/dbraw/zinc/98/43/03/997984303.db2.gz PJDPEIAOWDPIFC-ZIAGYGMSSA-N -1 0 328.364 3.645 20 0 EHADRM COc1cc(OC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)ccc1C(=O)[O-] ZINC001599446458 998016974 /nfs/dbraw/zinc/01/69/74/998016974.db2.gz VIQVZKQJPKJTCS-LSDHHAIUSA-N -1 0 346.766 3.756 20 0 EHADRM COc1cc(-c2nc3cc(C(=O)[O-])ccc3n2C)cc(Cl)c1OC ZINC001599346734 998020194 /nfs/dbraw/zinc/02/01/94/998020194.db2.gz LWBQHISRLCPXMB-UHFFFAOYSA-N -1 0 346.770 3.609 20 0 EHADRM Cc1ccc(-c2ccc([C@H]3NC(=O)N(C)C(C)=C3C(=O)[O-])s2)cc1 ZINC001594095200 998062029 /nfs/dbraw/zinc/06/20/29/998062029.db2.gz DHLGTEIYMSGMHL-MRXNPFEDSA-N -1 0 342.420 3.778 20 0 EHADRM CC1=C(C(=O)[O-])[C@H](c2ccc(-c3ccccc3)cc2)NC(=O)N1C1CC1 ZINC001594095253 998063888 /nfs/dbraw/zinc/06/38/88/998063888.db2.gz GROBLDQWCXTZPL-IBGZPJMESA-N -1 0 348.402 3.941 20 0 EHADRM COc1ccc(CCCN(C)C(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC001599555005 998074292 /nfs/dbraw/zinc/07/42/92/998074292.db2.gz YQOUGZJWVPABJG-UHFFFAOYSA-N -1 0 348.424 3.551 20 0 EHADRM Cc1sccc1[C@H]1NC(=O)N(Cc2cccs2)C(C)=C1C(=O)[O-] ZINC001594099016 998091119 /nfs/dbraw/zinc/09/11/19/998091119.db2.gz RUDHDZIXMFJFBP-CQSZACIVSA-N -1 0 348.449 3.743 20 0 EHADRM COC(=O)c1cc(OCc2ccc(F)cc2Cl)cc(C(=O)[O-])c1 ZINC001598951616 998163801 /nfs/dbraw/zinc/16/38/01/998163801.db2.gz JKEDFMLRKGCEIP-UHFFFAOYSA-N -1 0 338.718 3.543 20 0 EHADRM COC(=O)c1cc(OCc2ccccc2CC(C)C)cc(C(=O)[O-])c1 ZINC001598951610 998163847 /nfs/dbraw/zinc/16/38/47/998163847.db2.gz JEDZGHHLHAWFGK-UHFFFAOYSA-N -1 0 342.391 3.949 20 0 EHADRM COC(=O)c1cc(OCc2cc(F)ccc2Cl)cc(C(=O)[O-])c1 ZINC001598952265 998175360 /nfs/dbraw/zinc/17/53/60/998175360.db2.gz YPXCRAKUYHQRRH-UHFFFAOYSA-N -1 0 338.718 3.543 20 0 EHADRM CC1=C(C)C[C@H](C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])CC1 ZINC001594108334 998178193 /nfs/dbraw/zinc/17/81/93/998178193.db2.gz INENFNAAAJQNBF-SJLPKXTDSA-N -1 0 329.440 3.872 20 0 EHADRM COc1cc(OCc2cnc(-c3ccccc3)o2)ccc1C(=O)[O-] ZINC001599457164 998207592 /nfs/dbraw/zinc/20/75/92/998207592.db2.gz ZCXZHQXUNXSHQZ-UHFFFAOYSA-N -1 0 325.320 3.627 20 0 EHADRM CC1=C(C)C[C@@H](C(=O)Nc2ccc(O[C@@H](C)C(=O)[O-])c(F)c2)CC1 ZINC001594110820 998214943 /nfs/dbraw/zinc/21/49/43/998214943.db2.gz ZWJLBCSZHSQFDA-STQMWFEESA-N -1 0 335.375 3.753 20 0 EHADRM CC1=CC[C@@](C)(C(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)CC1 ZINC001594112913 998217056 /nfs/dbraw/zinc/21/70/56/998217056.db2.gz CZHXXWZOJVEUOM-QGZVFWFLSA-N -1 0 345.424 3.911 20 0 EHADRM COc1ccc(CNC(=O)C2CC(C)(C)CC(C)(C)C2)cc1C(=O)[O-] ZINC001599563145 998237631 /nfs/dbraw/zinc/23/76/31/998237631.db2.gz JVTWNSXZVLTUOJ-UHFFFAOYSA-N -1 0 347.455 3.862 20 0 EHADRM C[C@@H]1C(=O)CC[C@@H](c2nc(-c3cccc(C(=O)[O-])c3)no2)C1(C)C ZINC001594121564 998281594 /nfs/dbraw/zinc/28/15/94/998281594.db2.gz INMMFNLLOKRUJG-MFKMUULPSA-N -1 0 328.368 3.544 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)CCSc1ccc(C)cc1 ZINC001599370165 998397268 /nfs/dbraw/zinc/39/72/68/998397268.db2.gz SLLRSQXOGUYHNT-UHFFFAOYSA-N -1 0 345.420 3.823 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H](C)c1cc(C)sc1C ZINC001599372407 998431760 /nfs/dbraw/zinc/43/17/60/998431760.db2.gz HRJKUGWXMCOVMW-JTQLQIEISA-N -1 0 348.424 3.954 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1CCC(C)(C)C[C@H]1C ZINC001599372843 998438292 /nfs/dbraw/zinc/43/82/92/998438292.db2.gz QYEKSIQXMAENBS-DGCLKSJQSA-N -1 0 334.416 3.730 20 0 EHADRM COc1ccc(CSc2ncc(C(=O)[O-])cc2Cl)c(OC)c1 ZINC001599576492 998452233 /nfs/dbraw/zinc/45/22/33/998452233.db2.gz OCGTZIDWQLIKMO-UHFFFAOYSA-N -1 0 339.800 3.743 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N[C@H](C)C1CCCCCC1 ZINC001599373858 998455036 /nfs/dbraw/zinc/45/50/36/998455036.db2.gz ITZABIDMPHFPIX-GFCCVEGCSA-N -1 0 334.416 3.874 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NCc1cccc(Br)c1 ZINC001599375226 998475199 /nfs/dbraw/zinc/47/51/99/998475199.db2.gz NPOZZNVZTOBAEJ-UHFFFAOYSA-N -1 0 336.185 3.768 20 0 EHADRM COc1ccc(Cl)cc1CNC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001599578005 998477384 /nfs/dbraw/zinc/47/73/84/998477384.db2.gz PRZJBOGBJBUHOA-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM COc1ccc(Cl)cc1CN(C)Cc1csc(C(=O)[O-])c1 ZINC001599577972 998477763 /nfs/dbraw/zinc/47/77/63/998477763.db2.gz ONNGHXKPNNHWFF-UHFFFAOYSA-N -1 0 325.817 3.740 20 0 EHADRM COc1ccc(F)c(CNc2cc(C(=O)[O-])ccc2OC(C)C)c1 ZINC001599581309 998535676 /nfs/dbraw/zinc/53/56/76/998535676.db2.gz LQJRMNAHNUCRDK-UHFFFAOYSA-N -1 0 333.359 3.932 20 0 EHADRM COC[C@@H](NC(=O)Nc1cccc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC001599171413 998614486 /nfs/dbraw/zinc/61/44/86/998614486.db2.gz RBKZLOYVRAGNNP-OAHLLOKOSA-N -1 0 348.786 3.547 20 0 EHADRM C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001594173153 998665658 /nfs/dbraw/zinc/66/56/58/998665658.db2.gz LSTAJIDXUJDWSA-SKDRFNHKSA-N -1 0 330.306 3.580 20 0 EHADRM C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1Nc1cccc(OCC(F)(F)F)c1 ZINC001594183803 998711249 /nfs/dbraw/zinc/71/12/49/998711249.db2.gz AIPWJCUYKATISW-SUNKGSAMSA-N -1 0 331.334 3.929 20 0 EHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC001594184229 998714180 /nfs/dbraw/zinc/71/41/80/998714180.db2.gz HPGWHTQXYRCUME-HSMVNMDESA-N -1 0 338.398 3.866 20 0 EHADRM COC(=O)c1ccc2ccccc2c1NC(=O)c1cccc(C(=O)[O-])c1 ZINC001598991931 998745315 /nfs/dbraw/zinc/74/53/15/998745315.db2.gz ZHDYJPXRWCOBNF-UHFFFAOYSA-N -1 0 349.342 3.577 20 0 EHADRM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1C(=O)Cc1c(Cl)cccc1Cl ZINC001594205225 998787059 /nfs/dbraw/zinc/78/70/59/998787059.db2.gz AHRALVPJWSFHMH-NXEZZACHSA-N -1 0 344.238 3.636 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1C(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC001594206155 998793400 /nfs/dbraw/zinc/79/34/00/998793400.db2.gz PSCZRYKHLGKUME-DOFRTFSJSA-N -1 0 347.308 3.558 20 0 EHADRM C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001594214579 998826729 /nfs/dbraw/zinc/82/67/29/998826729.db2.gz LOCILKZWHZPKGG-WCBMZHEXSA-N -1 0 348.296 3.719 20 0 EHADRM C[C@@H]1CC(C)(C)c2cccc(NC(=O)N[C@@H]3CC=C(C(=O)[O-])C3)c21 ZINC001594216851 998834481 /nfs/dbraw/zinc/83/44/81/998834481.db2.gz JWLNBLYDDBDIID-DGCLKSJQSA-N -1 0 328.412 3.766 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N2C[C@H](C)C[C@H](C)[C@H]2C)cc1)C(=O)[O-] ZINC001594219217 998841203 /nfs/dbraw/zinc/84/12/03/998841203.db2.gz FNCZPLWRPDWSAR-CBBWQLFWSA-N -1 0 332.444 3.848 20 0 EHADRM C[C@@H]1CC(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C[C@@H](C)C1 ZINC001594223106 998859579 /nfs/dbraw/zinc/85/95/79/998859579.db2.gz MUHOZQKPFWDKAK-KBPBESRZSA-N -1 0 344.455 3.996 20 0 EHADRM C[C@@H]1C[C@H](CC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)CC(C)(C)C1 ZINC001594232872 998888328 /nfs/dbraw/zinc/88/83/28/998888328.db2.gz TVJYMTXSZTTYMY-WHSLLNHNSA-N -1 0 345.483 3.998 20 0 EHADRM C[C@H]1C[C@H](CC(=O)NCCc2ccc(C(=O)[O-])cc2)CC(C)(C)C1 ZINC001594233674 998890660 /nfs/dbraw/zinc/89/06/60/998890660.db2.gz YXSYMDUBBRXWPL-GOEBONIOSA-N -1 0 331.456 3.896 20 0 EHADRM CO[C@H](C(=O)[O-])c1ccccc1OCCOc1ccccc1Cl ZINC001599026842 999022453 /nfs/dbraw/zinc/02/24/53/999022453.db2.gz OZAKVIOVBDRUHS-INIZCTEOSA-N -1 0 336.771 3.570 20 0 EHADRM C[C@H]1C[C@@H](c2cccnc2)N(C(=O)Nc2cccc(F)c2C(=O)[O-])C1 ZINC001594271294 999049574 /nfs/dbraw/zinc/04/95/74/999049574.db2.gz IEBZFTVVAPJJKL-NHYWBVRUSA-N -1 0 343.358 3.534 20 0 EHADRM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1 ZINC001594274662 999060859 /nfs/dbraw/zinc/06/08/59/999060859.db2.gz BXHPLDUVDQVKAD-IGJVIKARSA-N -1 0 342.420 3.739 20 0 EHADRM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)[O-] ZINC001594275141 999064319 /nfs/dbraw/zinc/06/43/19/999064319.db2.gz NLOXDBYHSRAGDY-RYPBNFRJSA-N -1 0 328.195 3.922 20 0 EHADRM C[C@H]1C[C@H]1c1cc(NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)n[nH]1 ZINC001594277371 999073422 /nfs/dbraw/zinc/07/34/22/999073422.db2.gz OZSKILSJLCUNHN-GXFFZTMASA-N -1 0 342.399 3.539 20 0 EHADRM C[C@@H]1C[C@@H]1c1cc(NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)n[nH]1 ZINC001594277951 999075449 /nfs/dbraw/zinc/07/54/49/999075449.db2.gz SUWJEODQSHKKAN-XCBNKYQSSA-N -1 0 334.763 3.529 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001594293587 999133039 /nfs/dbraw/zinc/13/30/39/999133039.db2.gz WRPZOZGVBSLOCU-IOASZLSFSA-N -1 0 345.443 3.636 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001594297285 999146753 /nfs/dbraw/zinc/14/67/53/999146753.db2.gz VDGIEDQSDDDXIO-FHLIZLRMSA-N -1 0 346.471 3.892 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccsc1C(=O)[O-] ZINC001594299190 999154941 /nfs/dbraw/zinc/15/49/41/999154941.db2.gz UJADDAYYQXFSOJ-MBNYWOFBSA-N -1 0 339.457 3.862 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1ccsc1C(=O)[O-] ZINC001594299188 999154975 /nfs/dbraw/zinc/15/49/75/999154975.db2.gz UJADDAYYQXFSOJ-BZPMIXESSA-N -1 0 339.457 3.862 20 0 EHADRM C[C@H]1CC[C@@H](CNC(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC001594307568 999188409 /nfs/dbraw/zinc/18/84/09/999188409.db2.gz BPFVOVQFQGNMLM-UONOGXRCSA-N -1 0 345.443 3.543 20 0 EHADRM C[C@@H]1CC[C@H](CNC(=O)Nc2cccc(SCCC(=O)[O-])c2)C1 ZINC001594309112 999193461 /nfs/dbraw/zinc/19/34/61/999193461.db2.gz SJTKEVPWILIZDJ-OLZOCXBDSA-N -1 0 336.457 3.811 20 0 EHADRM C[C@@H]1CC[C@@](NC(=O)/C=C\c2cccs2)(C(=O)[O-])c2ccccc21 ZINC001594315546 999222511 /nfs/dbraw/zinc/22/25/11/999222511.db2.gz YTDDTIHLHFCADZ-SAXVRSFESA-N -1 0 341.432 3.755 20 0 EHADRM C[C@@H]1CC[C@@](NC(=O)C2C(C)(C)C2(C)C)(C(=O)[O-])c2ccccc21 ZINC001594318433 999225955 /nfs/dbraw/zinc/22/59/55/999225955.db2.gz GJOXDPAKKWPNOY-ODXCJYRJSA-N -1 0 329.440 3.662 20 0 EHADRM CO[C@H](CSc1nc(C(F)(F)F)ccc1C(=O)[O-])CC(C)C ZINC001599056516 999233913 /nfs/dbraw/zinc/23/39/13/999233913.db2.gz BTVGDHKJUZSFJY-VIFPVBQESA-N -1 0 337.363 3.952 20 0 EHADRM C[C@@H]1CC[C@](NC(=O)c2cc3ccccn3c2)(C(=O)[O-])c2ccccc21 ZINC001594323809 999248107 /nfs/dbraw/zinc/24/81/07/999248107.db2.gz UPSKJHRLCWZEIL-SPLOXXLWSA-N -1 0 348.402 3.547 20 0 EHADRM CO[C@H](CSc1cc2ccccc2cc1C(=O)[O-])[C@H]1CCOC1 ZINC001599059248 999253009 /nfs/dbraw/zinc/25/30/09/999253009.db2.gz OPPPFDRTLUOWJU-GOEBONIOSA-N -1 0 332.421 3.682 20 0 EHADRM CO[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001599060443 999261378 /nfs/dbraw/zinc/26/13/78/999261378.db2.gz ZXFBJBQAMYLESY-IBGZPJMESA-N -1 0 349.386 3.734 20 0 EHADRM C[C@@H]1CC[C@H](OC(=O)c2cc(C(=O)[O-])nn2-c2ccccc2)[C@H](C)C1 ZINC001594329303 999265249 /nfs/dbraw/zinc/26/52/49/999265249.db2.gz WQADOMZQTZQLJE-XNJGSVPQSA-N -1 0 342.395 3.552 20 0 EHADRM C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC001594329642 999266638 /nfs/dbraw/zinc/26/66/38/999266638.db2.gz BYPDFNNOUVONPE-GUYCJALGSA-N -1 0 339.395 3.785 20 0 EHADRM C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC001594329731 999267110 /nfs/dbraw/zinc/26/71/10/999267110.db2.gz CJWPFEDSOGASIV-BEFAXECRSA-N -1 0 337.419 3.927 20 0 EHADRM C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C1 ZINC001594330687 999271311 /nfs/dbraw/zinc/27/13/11/999271311.db2.gz WOFKOZOGJXMZDQ-NRSFXHEJSA-N -1 0 329.440 3.877 20 0 EHADRM C[C@H]1CCC[C@H](CNC(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)O1 ZINC001594345313 999306248 /nfs/dbraw/zinc/30/62/48/999306248.db2.gz AADNQAQPCXVVAT-SWLSCSKDSA-N -1 0 342.395 3.617 20 0 EHADRM C[C@@H]1CCC[C@@H](OCCCCCC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C1 ZINC001594354220 999338150 /nfs/dbraw/zinc/33/81/50/999338150.db2.gz AODPSOWMBNMGPX-VQHPVUNQSA-N -1 0 339.476 3.512 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(OCCC(=O)[O-])cc1)[C@H]1CCC[C@@H](C)C1 ZINC001594354771 999339897 /nfs/dbraw/zinc/33/98/97/999339897.db2.gz FZDIBHRMBIVDJO-ILXRZTDVSA-N -1 0 348.443 3.876 20 0 EHADRM C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)[C@H]3C[C@@H](C(=O)[O-])C3)c2)C1 ZINC001594356040 999343302 /nfs/dbraw/zinc/34/33/02/999343302.db2.gz PYQJAYHMBIDRBM-KBEGMRNHSA-N -1 0 345.439 3.831 20 0 EHADRM C[C@@H]1CCC[C@@H]1CC(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC001594357932 999353777 /nfs/dbraw/zinc/35/37/77/999353777.db2.gz RJCSSBNFBQTUQL-ZXYWRSMDSA-N -1 0 325.408 3.908 20 0 EHADRM C[C@H]1CCC[C@]1(C)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC001594358254 999355265 /nfs/dbraw/zinc/35/52/65/999355265.db2.gz WKTNOPXJDSZROI-YUNKPMOVSA-N -1 0 340.423 3.577 20 0 EHADRM C[C@@H]1CCCN(CC(=O)Nc2cccc(C(=O)[O-])c2)c2ccccc21 ZINC001594382417 999442156 /nfs/dbraw/zinc/44/21/56/999442156.db2.gz CJWFSIHJWJOCIA-CQSZACIVSA-N -1 0 338.407 3.727 20 0 EHADRM C[C@@H]1CCN(C(=O)C(c2ccccc2)c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC001594394211 999485596 /nfs/dbraw/zinc/48/55/96/999485596.db2.gz HYPDXZPBUSGSCH-CRAIPNDOSA-N -1 0 337.419 3.530 20 0 EHADRM CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000655568261 1016322177 /nfs/dbraw/zinc/32/21/77/1016322177.db2.gz FVVOZAVMOXKZIS-MJBXVCDLSA-N -1 0 344.238 3.570 20 0 EHADRM C[C@@H]1CCN(C(=O)NCc2ccc(C(=O)[O-])s2)[C@H]1c1ccccc1 ZINC001594402824 999509996 /nfs/dbraw/zinc/50/99/96/999509996.db2.gz JIMVVAVQHHMFJE-MLGOLLRUSA-N -1 0 344.436 3.739 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)CC1(C)C ZINC001594403042 999511526 /nfs/dbraw/zinc/51/15/26/999511526.db2.gz PBAYLXCRCIKPNG-LBPRGKRZSA-N -1 0 341.411 3.833 20 0 EHADRM C[C@@H]1CCN(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)CC12CCCCC2 ZINC001594404020 999513624 /nfs/dbraw/zinc/51/36/24/999513624.db2.gz XNLYSUXRUVEXTR-OAGGEKHMSA-N -1 0 336.476 3.632 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)CC1(C)C ZINC001594405094 999516509 /nfs/dbraw/zinc/51/65/09/999516509.db2.gz JDIQJKFHZWQDOZ-NSHDSACASA-N -1 0 329.400 3.766 20 0 EHADRM CC(C)c1ccc(NC(=O)c2cn3c(n2)CC[C@@H](C)C3)c(C(=O)[O-])c1 ZINC001594448961 999645536 /nfs/dbraw/zinc/64/55/36/999645536.db2.gz XHOWGHFGDVFOAG-GFCCVEGCSA-N -1 0 341.411 3.539 20 0 EHADRM C[C@@H](NC(=O)[C@@]1(C(=O)[O-])CC=CCC1)c1cc2ccccc2s1 ZINC000653289537 1016380366 /nfs/dbraw/zinc/38/03/66/1016380366.db2.gz WFPFNXOBEBKXHV-KZULUSFZSA-N -1 0 329.421 3.890 20 0 EHADRM Cc1ccccc1C1(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CCC1 ZINC000655576575 1016393904 /nfs/dbraw/zinc/39/39/04/1016393904.db2.gz QQEQFCQHHTVWLG-HYVNUMGLSA-N -1 0 343.467 3.668 20 0 EHADRM Cc1cnn(-c2ccccc2)c1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000084505175 1016587687 /nfs/dbraw/zinc/58/76/87/1016587687.db2.gz XVZYOBYNFQEONE-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM COc1ccc(Nc2nc(-c3ccncc3)cs2)cc1C(=O)[O-] ZINC001209896775 1016652494 /nfs/dbraw/zinc/65/24/94/1016652494.db2.gz MOMIJCRKQIHYNA-UHFFFAOYSA-N -1 0 327.365 3.656 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3C[C@H](C)CC3(C)C)n2)cc1 ZINC000472628608 1016659866 /nfs/dbraw/zinc/65/98/66/1016659866.db2.gz ITBAKQHZDXKSKC-CQSZACIVSA-N -1 0 341.455 3.962 20 0 EHADRM Cc1cc(Br)c(O)c(NC(=O)C2C[C@@H](C)O[C@H](C)C2)c1 ZINC000182912245 1032149355 /nfs/dbraw/zinc/14/93/55/1032149355.db2.gz SJFBVDOUXPSGNY-NXEZZACHSA-N -1 0 342.233 3.605 20 0 EHADRM Cc1ccc(C(C)C)cc1OCC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000236626662 1016686610 /nfs/dbraw/zinc/68/66/10/1016686610.db2.gz YBRYJAFEGDNDGQ-KRWDZBQOSA-N -1 0 347.455 3.743 20 0 EHADRM CCC[C@H](OC)c1noc(-c2ccc(Br)cc2[O-])n1 ZINC000157390573 1041045012 /nfs/dbraw/zinc/04/50/12/1041045012.db2.gz LZEFTKUEEOXIKX-NSHDSACASA-N -1 0 327.178 3.692 20 0 EHADRM CCc1nc(-c2ccc(C(=O)Nc3cccc(Cl)c3[O-])cc2)n[nH]1 ZINC000178545389 1016712762 /nfs/dbraw/zinc/71/27/62/1016712762.db2.gz DNNFJXVOTAIYHG-UHFFFAOYSA-N -1 0 342.786 3.645 20 0 EHADRM CC(C)Oc1ccccc1[C@@H](C)N=c1[n-]nc(C2CCOCC2)s1 ZINC000549109349 1016817180 /nfs/dbraw/zinc/81/71/80/1016817180.db2.gz QICHXLMYCLYNBP-CYBMUJFWSA-N -1 0 347.484 3.814 20 0 EHADRM CN(C(=O)c1cc(Cc2ccccc2)ccc1O)[C@@H]1CCSC1 ZINC000179997605 1016882537 /nfs/dbraw/zinc/88/25/37/1016882537.db2.gz HHZKQZXLQXQIMQ-MRXNPFEDSA-N -1 0 327.449 3.561 20 0 EHADRM O=C(c1ccc2ccccc2c1O)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000181172719 1016911534 /nfs/dbraw/zinc/91/15/34/1016911534.db2.gz XINSUCLHFFJOAO-SFHVURJKSA-N -1 0 347.414 3.629 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1ccc(Cn2ccnc2)cc1 ZINC000340320347 1016938424 /nfs/dbraw/zinc/93/84/24/1016938424.db2.gz MUKFPFFXSBDKKI-UHFFFAOYSA-N -1 0 327.771 3.543 20 0 EHADRM O=C([O-])C1CCC(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000659760081 1016982179 /nfs/dbraw/zinc/98/21/79/1016982179.db2.gz ZHMCKWLQQIMCJJ-VMBOVVBDSA-N -1 0 333.403 3.770 20 0 EHADRM CCO[C@H](C)c1nc(CN(CC2CC2)[C@](C)(CC)C(=O)[O-])cs1 ZINC000659792507 1017022080 /nfs/dbraw/zinc/02/20/80/1017022080.db2.gz BBPOQDSNKGYQTM-SJKOYZFVSA-N -1 0 340.489 3.706 20 0 EHADRM Cc1nc(C(F)(F)F)c(CN2Cc3ccc(C(=O)[O-])cc3C2)s1 ZINC000659790972 1017022566 /nfs/dbraw/zinc/02/25/66/1017022566.db2.gz WPTRFOQEJJMZSB-UHFFFAOYSA-N -1 0 342.342 3.684 20 0 EHADRM C[C@H]1CC[C@H](c2ccccc2)N(C(=O)c2cc3c(cc2O)OCO3)C1 ZINC000436655950 1032174092 /nfs/dbraw/zinc/17/40/92/1032174092.db2.gz HEAAQRQASLWKFH-XJKSGUPXSA-N -1 0 339.391 3.734 20 0 EHADRM O=C(NCc1ccc(F)c(Cl)c1)c1cc(F)c(F)c([O-])c1F ZINC000183538526 1032178266 /nfs/dbraw/zinc/17/82/66/1032178266.db2.gz QISARVYUUUCSFT-UHFFFAOYSA-N -1 0 333.668 3.532 20 0 EHADRM Cc1nc(C)c([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)s1 ZINC000080972241 1032235463 /nfs/dbraw/zinc/23/54/63/1032235463.db2.gz JUNJEDMWCCUUEU-UHFFFAOYSA-N -1 0 337.253 3.868 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H](CCC(=O)[O-])C2)o1 ZINC000449142155 1032244750 /nfs/dbraw/zinc/24/47/50/1032244750.db2.gz SAGKVOZORFYJNS-IBEHDNSVSA-N -1 0 345.439 3.610 20 0 EHADRM CC[C@@H]1CC[C@H](C)N1C(=O)N=c1[n-]nc(Cc2ccc(C)cc2)s1 ZINC000536818653 1032321076 /nfs/dbraw/zinc/32/10/76/1032321076.db2.gz YTDQZOWHWZSBLI-DZGCQCFKSA-N -1 0 344.484 3.654 20 0 EHADRM CC[C@H]1CC[C@H](C)N1C(=O)N=c1[n-]nc(Cc2ccc(C)cc2)s1 ZINC000536818662 1032321630 /nfs/dbraw/zinc/32/16/30/1032321630.db2.gz YTDQZOWHWZSBLI-ZFWWWQNUSA-N -1 0 344.484 3.654 20 0 EHADRM O=S(=O)([N-]c1cc2c(cn1)CCCC2)c1cc(Cl)ccc1F ZINC000461216583 1032333600 /nfs/dbraw/zinc/33/36/00/1032333600.db2.gz FFLVWZOBIOJFHD-UHFFFAOYSA-N -1 0 340.807 3.554 20 0 EHADRM Cc1nc(C)c(/C=C2\CN(C)Cc3c2nc2ccccc2c3C(=O)[O-])o1 ZINC000905070478 1032339569 /nfs/dbraw/zinc/33/95/69/1032339569.db2.gz XGUMPUUKSQRZOU-MDWZMJQESA-N -1 0 349.390 3.524 20 0 EHADRM Cc1ccc(NC(=O)N2CC[C@@H](C)C[C@H]2C(=O)[O-])cc1C(F)(F)F ZINC000392329433 1032377286 /nfs/dbraw/zinc/37/72/86/1032377286.db2.gz ADHLKSHHMYYFKT-RNCFNFMXSA-N -1 0 344.333 3.731 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@@H](C)Oc1cccc(C(C)C)c1 ZINC000538471985 1032393661 /nfs/dbraw/zinc/39/36/61/1032393661.db2.gz IIQJERBECJLJQG-CQSZACIVSA-N -1 0 335.444 3.727 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N(C)[C@H](C)c2ccco2)n1 ZINC000084384187 1032423916 /nfs/dbraw/zinc/42/39/16/1032423916.db2.gz MLDQRLWJEUFTNE-CYBMUJFWSA-N -1 0 339.395 3.567 20 0 EHADRM O=S(=O)([N-]c1ccc2[nH]ccc2c1)c1cnc2ccsc2c1 ZINC000084460639 1032430304 /nfs/dbraw/zinc/43/03/04/1032430304.db2.gz VKUVTLMLXGAUPP-UHFFFAOYSA-N -1 0 329.406 3.578 20 0 EHADRM CC[C@H]1C[C@@]1(NC(=O)NCCCCCC(=O)[O-])c1cccc(C)c1 ZINC000414629677 1017084354 /nfs/dbraw/zinc/08/43/54/1017084354.db2.gz RMHIHJLQAWQGJZ-KXBFYZLASA-N -1 0 332.444 3.564 20 0 EHADRM O=C([O-])[C@@H]1CCCN1C(=O)c1cc2sc3ccccc3c2s1 ZINC000178276832 1017086501 /nfs/dbraw/zinc/08/65/01/1017086501.db2.gz MXVBMBZLLQQIJV-JTQLQIEISA-N -1 0 331.418 3.805 20 0 EHADRM C[N@H+](CCCC(=O)[O-])Cc1cc(Cl)ccc1OC1CCCC1 ZINC000414637870 1017089443 /nfs/dbraw/zinc/08/94/43/1017089443.db2.gz NDYYKIFSIZSIOO-UHFFFAOYSA-N -1 0 325.836 3.958 20 0 EHADRM O=C([O-])CCCCCNC(=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000414632739 1017094186 /nfs/dbraw/zinc/09/41/86/1017094186.db2.gz YSFPZQFXTNIADR-MRXNPFEDSA-N -1 0 336.407 3.707 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cccc(OCCF)c2)c1Cl ZINC000537195010 1032553992 /nfs/dbraw/zinc/55/39/92/1032553992.db2.gz UUCUYDADYHQGJY-UHFFFAOYSA-N -1 0 343.807 3.798 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1C ZINC000537196464 1032554697 /nfs/dbraw/zinc/55/46/97/1032554697.db2.gz RFSHQBKTPAZJBO-SECBINFHSA-N -1 0 345.827 3.756 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])cc1 ZINC000601987431 1032583428 /nfs/dbraw/zinc/58/34/28/1032583428.db2.gz XPICCFCBLQBMDP-SRVKXCTJSA-N -1 0 341.498 3.571 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)NCc1ccc(-c2ccccc2)s1)C(=O)[O-] ZINC000601988957 1032583830 /nfs/dbraw/zinc/58/38/30/1032583830.db2.gz BOSLMQMYGRHDDZ-NWDGAFQWSA-N -1 0 349.477 3.626 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000601990608 1032583918 /nfs/dbraw/zinc/58/39/18/1032583918.db2.gz DKPLXIHDUCWTOC-IGCXYCKISA-N -1 0 347.480 3.650 20 0 EHADRM Cc1c(NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])cccc1C(F)(F)F ZINC000601993880 1032584719 /nfs/dbraw/zinc/58/47/19/1032584719.db2.gz VYASDUNFZPZXEG-IUCAKERBSA-N -1 0 335.347 3.547 20 0 EHADRM CCC[C@H](NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-])c1ccc(F)cc1F ZINC000601991937 1032585395 /nfs/dbraw/zinc/58/53/95/1032585395.db2.gz QJYFIOGPBBMNNS-RULNRJAQSA-N -1 0 345.411 3.517 20 0 EHADRM Cc1cc(CNC(=O)c2cccc(Br)c2[O-])ccc1F ZINC000592834695 1032586138 /nfs/dbraw/zinc/58/61/38/1032586138.db2.gz RWUVJYKEFBLHEB-UHFFFAOYSA-N -1 0 338.176 3.532 20 0 EHADRM CCC1(C)CCN(C(=O)c2cccc(Br)c2[O-])CC1 ZINC000592862495 1032596899 /nfs/dbraw/zinc/59/68/99/1032596899.db2.gz AOQIDOYGVQMHFN-UHFFFAOYSA-N -1 0 326.234 3.807 20 0 EHADRM O=C(N=c1cccn[n-]1)C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000460126006 1032604087 /nfs/dbraw/zinc/60/40/87/1032604087.db2.gz UGKVKYQBTUUHPP-UHFFFAOYSA-N -1 0 349.356 3.758 20 0 EHADRM CC(C)(C)[C@@H]1CN(C(=O)NCCCCCC(=O)[O-])c2ccccc21 ZINC000414623560 1017073359 /nfs/dbraw/zinc/07/33/59/1017073359.db2.gz HMLWOGXGBBLJMM-OAHLLOKOSA-N -1 0 332.444 3.991 20 0 EHADRM C[C@@H]1C[C@H](CCNC(=O)C[C@]2(C(=O)[O-])CCSC2)CC(C)(C)C1 ZINC000683437409 1017079901 /nfs/dbraw/zinc/07/99/01/1017079901.db2.gz IRBGBPWXDWNTMF-QWQRMKEZSA-N -1 0 341.517 3.553 20 0 EHADRM CC[C@@]1(C)CCN(C(=O)N=c2[n-]nc(-c3cc(F)ccc3C)s2)C1 ZINC000471343865 1017133995 /nfs/dbraw/zinc/13/39/95/1017133995.db2.gz RCSPQWCFFFZUMB-KRWDZBQOSA-N -1 0 348.447 3.728 20 0 EHADRM CC[C@H](C)CN(C)C(=O)N=c1[n-]nc(-c2cc(F)ccc2C)s1 ZINC000471345267 1017135057 /nfs/dbraw/zinc/13/50/57/1017135057.db2.gz FDDQWGFESHJRGM-JTQLQIEISA-N -1 0 336.436 3.584 20 0 EHADRM CC1CCC(OC2CCN(C(=O)c3ccc(F)cc3[O-])CC2)CC1 ZINC000376815861 1017135648 /nfs/dbraw/zinc/13/56/48/1017135648.db2.gz LKONFIOYEKKPID-UHFFFAOYSA-N -1 0 335.419 3.731 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc(Cl)cc2Cl)[C@H](C(=O)[O-])C1 ZINC000128208514 1017138487 /nfs/dbraw/zinc/13/84/87/1017138487.db2.gz YGJLRRWRIMHNMP-PELKAZGASA-N -1 0 331.199 3.710 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N2CCC[C@H](C)[C@@H]2C)s1 ZINC000471346058 1017143413 /nfs/dbraw/zinc/14/34/13/1017143413.db2.gz KVXGBVWIYYMADW-JQWIXIFHSA-N -1 0 348.447 3.727 20 0 EHADRM Cc1cccc([C@@H]2CCCCN2C(=O)c2ccc(C(=O)[O-])o2)c1C ZINC000237789012 1017148534 /nfs/dbraw/zinc/14/85/34/1017148534.db2.gz RYDUQSCBWFNFDZ-HNNXBMFYSA-N -1 0 327.380 3.962 20 0 EHADRM CCCCN(CC)C(=O)N=c1[n-]nc(-c2cc(F)ccc2C)s1 ZINC000471357867 1017180747 /nfs/dbraw/zinc/18/07/47/1017180747.db2.gz KQLRJNSQJZOLGQ-UHFFFAOYSA-N -1 0 336.436 3.728 20 0 EHADRM COCC[C@@H](N=c1[n-]nc(Cc2ccccc2)s1)c1ccc(C)o1 ZINC000574074531 1032691406 /nfs/dbraw/zinc/69/14/06/1032691406.db2.gz UBAZITCNSLFLGB-OAHLLOKOSA-N -1 0 343.452 3.642 20 0 EHADRM CC(=O)Nc1ccc(Cl)cc1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000183509807 1017340380 /nfs/dbraw/zinc/34/03/80/1017340380.db2.gz PFZBBAAKWXQPRV-UHFFFAOYSA-N -1 0 340.713 3.535 20 0 EHADRM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000653295040 1017764159 /nfs/dbraw/zinc/76/41/59/1017764159.db2.gz DCOSDJMACBPIHK-UHTWSYAYSA-N -1 0 343.345 3.726 20 0 EHADRM Cc1ccc([C@H](C)CNC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655869271 1017829366 /nfs/dbraw/zinc/82/93/66/1017829366.db2.gz BXMAMRJOFPUSEO-TXCZRRACSA-N -1 0 346.471 3.533 20 0 EHADRM CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655886968 1017857977 /nfs/dbraw/zinc/85/79/77/1017857977.db2.gz JDWYYHAHWYPBRY-JTQLQIEISA-N -1 0 347.242 3.634 20 0 EHADRM Cc1cc(Nc2ccc3ncc(Br)n3c2)ccc1C(=O)[O-] ZINC001211649933 1017881965 /nfs/dbraw/zinc/88/19/65/1017881965.db2.gz HCDMJAFTHVECQK-UHFFFAOYSA-N -1 0 346.184 3.847 20 0 EHADRM CC(C)C[C@@H]1CCCCN1C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655902002 1017882329 /nfs/dbraw/zinc/88/23/29/1017882329.db2.gz NLTZYFDXOXAXAI-FXUDXRNXSA-N -1 0 338.492 3.732 20 0 EHADRM Cc1ccc(C)c(CN(C)C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000655903842 1017885860 /nfs/dbraw/zinc/88/58/60/1017885860.db2.gz PDHSTLMGUSFQJK-BHYGNILZSA-N -1 0 346.471 3.580 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@@H]1CC(C)(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655908489 1017903093 /nfs/dbraw/zinc/90/30/93/1017903093.db2.gz XWKDTANMLVQQIN-LJISPDSOSA-N -1 0 338.492 3.732 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)CCCSc1ccc(Cl)cc1 ZINC000070309599 1017921607 /nfs/dbraw/zinc/92/16/07/1017921607.db2.gz PKQLUPYPDJUOCW-NSHDSACASA-N -1 0 329.849 3.582 20 0 EHADRM Cc1nc(-c2ccccc2)ccc1C(=O)N(CCC(=O)[O-])CC(C)C ZINC000236754576 1017965798 /nfs/dbraw/zinc/96/57/98/1017965798.db2.gz NRGUVQVEYDLAOR-UHFFFAOYSA-N -1 0 340.423 3.630 20 0 EHADRM CC(C)(CC(=O)N1CC=C(c2cccc3ccccc32)CC1)C(=O)[O-] ZINC000580004031 1018022150 /nfs/dbraw/zinc/02/21/50/1018022150.db2.gz AJAYAJOGWJNWFB-UHFFFAOYSA-N -1 0 337.419 3.956 20 0 EHADRM C/C(=C/C(=O)N[C@@H](CC(=O)[O-])c1ccccc1C)c1ccc(F)cc1 ZINC000236656402 1018047462 /nfs/dbraw/zinc/04/74/62/1018047462.db2.gz WZVIUFDYDSGTBP-RMHQSFGDSA-N -1 0 341.382 3.870 20 0 EHADRM CCc1nc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)sc1C ZINC000683708251 1018098650 /nfs/dbraw/zinc/09/86/50/1018098650.db2.gz AXXAQTAJNKIGDZ-UHFFFAOYSA-N -1 0 348.852 3.748 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N2CCCC[C@@H]2[C@@H](C)CC)s1 ZINC000606542723 1032743662 /nfs/dbraw/zinc/74/36/62/1032743662.db2.gz HFJBIFSQXLKAPZ-WDEREUQCSA-N -1 0 328.507 3.505 20 0 EHADRM CC[C@@H](C)[C@@H]1CCCCN1C(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000606555306 1032749336 /nfs/dbraw/zinc/74/93/36/1032749336.db2.gz AOCARHGBFDQGES-NEPJUHHUSA-N -1 0 334.445 3.653 20 0 EHADRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(SC)cc2)n[nH]1 ZINC000471506388 1018394168 /nfs/dbraw/zinc/39/41/68/1018394168.db2.gz UHFSLNAKQKMGBA-LLVKDONJSA-N -1 0 339.486 3.836 20 0 EHADRM CCCCc1cc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)n[nH]1 ZINC000471509111 1018429612 /nfs/dbraw/zinc/42/96/12/1018429612.db2.gz ZDTRVBWOUMGZSJ-UHFFFAOYSA-N -1 0 347.362 3.572 20 0 EHADRM C[C@@H](CNc1nnc(-c2cc(Cl)cc(Cl)c2)s1)C(=O)[O-] ZINC000656091609 1018521565 /nfs/dbraw/zinc/52/15/65/1018521565.db2.gz FQCDZLFXPFXIPJ-LURJTMIESA-N -1 0 332.212 3.645 20 0 EHADRM C[C@H](Oc1cccc(C(=O)/C=C/c2ccc(F)c(F)c2)c1)C(=O)[O-] ZINC000062692716 1032787618 /nfs/dbraw/zinc/78/76/18/1032787618.db2.gz JOIQCJJWIAAPRJ-IOCXFXADSA-N -1 0 332.302 3.713 20 0 EHADRM CCCOc1ccc(C(=O)[O-])cc1NCc1nc2c(s1)CCC2 ZINC000669478111 1032789746 /nfs/dbraw/zinc/78/97/46/1032789746.db2.gz QDHYYGUZCTVACU-UHFFFAOYSA-N -1 0 332.425 3.731 20 0 EHADRM C[C@]1(NC(=O)c2csc(-c3ccccc3)n2)CCCC[C@@H]1C(=O)[O-] ZINC000432134119 1019018614 /nfs/dbraw/zinc/01/86/14/1019018614.db2.gz SBQIVXRWLYMHIV-ACJLOTCBSA-N -1 0 344.436 3.573 20 0 EHADRM O=C([O-])c1ccccc1Nc1cc(Cl)ccc1N1CCOCC1 ZINC001210967653 1019148886 /nfs/dbraw/zinc/14/88/86/1019148886.db2.gz OVDWRSUGTAGINB-UHFFFAOYSA-N -1 0 332.787 3.618 20 0 EHADRM O=C([O-])[C@]1(NCc2cc3cc(F)ccc3o2)CCc2c1cccc2F ZINC000340678408 1019185028 /nfs/dbraw/zinc/18/50/28/1019185028.db2.gz IZLPESOIDSDXEL-IBGZPJMESA-N -1 0 343.329 3.727 20 0 EHADRM O=C([O-])CN(C(=O)Nc1ccccc1C(F)(F)F)C1CCCCC1 ZINC000683921223 1019242821 /nfs/dbraw/zinc/24/28/21/1019242821.db2.gz OVIFJDYXBUQVES-UHFFFAOYSA-N -1 0 344.333 3.957 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc3ccn(C)c32)c(F)cc1F ZINC000471573643 1019294955 /nfs/dbraw/zinc/29/49/55/1019294955.db2.gz ZAZCWDIOPJUKJC-UHFFFAOYSA-N -1 0 336.363 3.566 20 0 EHADRM CCC[C@](C)(NC(=O)Nc1ccc2oc(C(C)C)nc2c1)C(=O)[O-] ZINC000580468844 1019411922 /nfs/dbraw/zinc/41/19/22/1019411922.db2.gz ZQLZJBMAUQRMBW-KRWDZBQOSA-N -1 0 333.388 3.716 20 0 EHADRM FC(F)(F)[C@@H](C[C@@H]1CCCO1)[N-]c1nc(-c2ccccc2)no1 ZINC000656224446 1019420297 /nfs/dbraw/zinc/42/02/97/1019420297.db2.gz IVNHPERIFSJYHU-NWDGAFQWSA-N -1 0 327.306 3.649 20 0 EHADRM C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)CC(C)(C)C(=O)[O-] ZINC000568320105 1019444920 /nfs/dbraw/zinc/44/49/20/1019444920.db2.gz IHRTUGMSLBOTCL-VIFPVBQESA-N -1 0 344.238 3.940 20 0 EHADRM CC[C@@H](C(=O)[N-]O[C@H]1CCCCO1)c1cccc(C(F)(F)F)c1 ZINC000175814380 1019465013 /nfs/dbraw/zinc/46/50/13/1019465013.db2.gz BKTPKBNWBIIESL-KGLIPLIRSA-N -1 0 331.334 3.773 20 0 EHADRM O=C([O-])CCN(CC1CC1)C(=O)CCc1c(Cl)cccc1Cl ZINC000656233803 1019480968 /nfs/dbraw/zinc/48/09/68/1019480968.db2.gz KQOPVEFGWAAXMC-UHFFFAOYSA-N -1 0 344.238 3.639 20 0 EHADRM O=C([O-])[C@@H](Cc1ccccc1)N(C(=O)Nc1ccccc1F)C1CC1 ZINC000580514381 1019534083 /nfs/dbraw/zinc/53/40/83/1019534083.db2.gz OAYFQENVJUZOED-QGZVFWFLSA-N -1 0 342.370 3.518 20 0 EHADRM C[C@H]1CCN(C(=O)Cc2cccc(C(=O)[O-])c2)[C@H](c2ccco2)C1 ZINC000262240496 1019568761 /nfs/dbraw/zinc/56/87/61/1019568761.db2.gz XYOHBPQVXKICDQ-BBRMVZONSA-N -1 0 327.380 3.520 20 0 EHADRM C[C@H](Oc1ccccc1NC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1ccccc1 ZINC000262683692 1019707588 /nfs/dbraw/zinc/70/75/88/1019707588.db2.gz XLGAKUAKYVABQF-CWRNSKLLSA-N -1 0 339.391 3.876 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1ccccc1COc1ccccc1 ZINC000909404637 1019720156 /nfs/dbraw/zinc/72/01/56/1019720156.db2.gz PWQNILAZQIONEJ-KRWDZBQOSA-N -1 0 327.380 3.561 20 0 EHADRM O=C([O-])c1ccccc1-c1ccccc1C(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000262904464 1019762752 /nfs/dbraw/zinc/76/27/52/1019762752.db2.gz IZFGQILBJLBMCM-GJZGRUSLSA-N -1 0 335.403 3.924 20 0 EHADRM CC[C@H](C)[C@H](C)C(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC000262932562 1019771288 /nfs/dbraw/zinc/77/12/88/1019771288.db2.gz HCZOGBANZLUNHP-GJZGRUSLSA-N -1 0 331.456 3.848 20 0 EHADRM CO[C@H](C)c1nc(=N[C@@H]2C[C@H]2c2ccc3ccccc3c2)s[n-]1 ZINC000509926588 1019779339 /nfs/dbraw/zinc/77/93/39/1019779339.db2.gz MYKVVWFMOLAACK-XFBWCDHKSA-N -1 0 325.437 3.789 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)s[n-]1 ZINC000509927905 1019780291 /nfs/dbraw/zinc/78/02/91/1019780291.db2.gz QXSQOSOURIKDFE-QOSJWCAFSA-N -1 0 344.267 3.942 20 0 EHADRM COc1ccc(NC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)cc1Cl ZINC000580692977 1019859025 /nfs/dbraw/zinc/85/90/25/1019859025.db2.gz CXZBEBUTLZULTG-HNNXBMFYSA-N -1 0 348.786 3.638 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)C1 ZINC000580714110 1019891461 /nfs/dbraw/zinc/89/14/61/1019891461.db2.gz SKOIRPJEQIXSIR-ZQEOTTOMSA-N -1 0 337.419 3.513 20 0 EHADRM O=C([O-])C1(CNC(=O)c2ccc(SCc3ccccc3)cc2)CC1 ZINC000263419072 1019900987 /nfs/dbraw/zinc/90/09/87/1019900987.db2.gz ILAMOBHZMWTITB-UHFFFAOYSA-N -1 0 341.432 3.574 20 0 EHADRM COC(=O)c1[n-]c(=NCc2ccc(-c3ccccc3)o2)sc1C ZINC000434075187 1019923794 /nfs/dbraw/zinc/92/37/94/1019923794.db2.gz OCIPGQVXTDOGNP-UHFFFAOYSA-N -1 0 328.393 3.532 20 0 EHADRM O=C(c1nn(-c2ccc(Cl)cc2)cc1[O-])N1C2CCCC1CCC2 ZINC000684052003 1020004385 /nfs/dbraw/zinc/00/43/85/1020004385.db2.gz NOCWOUWIRCVFQC-UHFFFAOYSA-N -1 0 345.830 3.779 20 0 EHADRM CCc1ccc(NC(=O)N(CC(=O)[O-])Cc2ccccc2)cc1F ZINC000580811782 1020054741 /nfs/dbraw/zinc/05/47/41/1020054741.db2.gz CGEWBJPYURDHNU-UHFFFAOYSA-N -1 0 330.359 3.507 20 0 EHADRM C[C@H](NC(=O)N([C@@H](C)C(=O)[O-])C1CC1)c1cccc(Cl)c1Cl ZINC000580871197 1020163341 /nfs/dbraw/zinc/16/33/41/1020163341.db2.gz SPCGMFBHSZNHSA-IUCAKERBSA-N -1 0 345.226 3.702 20 0 EHADRM Cc1cc(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)ccc1OC(C)C ZINC000580882974 1020177871 /nfs/dbraw/zinc/17/78/71/1020177871.db2.gz WBFMPYSMBOECTO-CQSZACIVSA-N -1 0 334.416 3.501 20 0 EHADRM Cc1cnc(F)c(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)c1 ZINC001211506275 1020289585 /nfs/dbraw/zinc/28/95/85/1020289585.db2.gz UYIHMGGLDAWERS-UHFFFAOYSA-N -1 0 332.356 3.673 20 0 EHADRM O=C(CCC(=O)c1cccc(F)c1)Nc1cc(Cl)c([O-])cc1F ZINC000345579607 1020373966 /nfs/dbraw/zinc/37/39/66/1020373966.db2.gz DMBSHGQZRDAQJH-UHFFFAOYSA-N -1 0 339.725 3.925 20 0 EHADRM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2ccc3[n-]c(=S)oc3c2)c1 ZINC000160743701 1020386652 /nfs/dbraw/zinc/38/66/52/1020386652.db2.gz KOQAQODCBRXHID-KGLIPLIRSA-N -1 0 340.404 3.867 20 0 EHADRM COc1ccc2c(c1)[C@@H](C(=O)Nc1cc(Cl)c([O-])cc1F)CC2 ZINC000345633264 1020406352 /nfs/dbraw/zinc/40/63/52/1020406352.db2.gz UFMJNJUHMDYZBP-NSHDSACASA-N -1 0 335.762 3.862 20 0 EHADRM CC(C)Cc1nnc([N-]S(=O)(=O)c2ccccc2C(C)C)s1 ZINC000345674672 1020422731 /nfs/dbraw/zinc/42/27/31/1020422731.db2.gz JRXYCSMSVGSVSN-UHFFFAOYSA-N -1 0 339.486 3.661 20 0 EHADRM CC(C)C[C@H](NC(=O)CCCc1csc2ccccc12)C(=O)[O-] ZINC000345777553 1020505473 /nfs/dbraw/zinc/50/54/73/1020505473.db2.gz MEOIFQAPJXSTEL-HNNXBMFYSA-N -1 0 333.453 3.840 20 0 EHADRM CC(C)CCC(=O)N[C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000345798812 1020513018 /nfs/dbraw/zinc/51/30/18/1020513018.db2.gz ILJHBSGTJYRSLQ-CYBMUJFWSA-N -1 0 332.227 3.542 20 0 EHADRM COc1ccc(C(=O)[O-])cc1-c1ccc(O[C@@H]2CCOC2)c(C)c1 ZINC000581201663 1020514925 /nfs/dbraw/zinc/51/49/25/1020514925.db2.gz DTODEXDULUKWBF-OAHLLOKOSA-N -1 0 328.364 3.537 20 0 EHADRM C[C@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)cc1)c1ccccc1F ZINC000345917524 1020591561 /nfs/dbraw/zinc/59/15/61/1020591561.db2.gz YEJZSNQNSPGWQL-MEDUHNTESA-N -1 0 349.789 3.915 20 0 EHADRM CC(C)CCN(Cc1n[nH]c(=O)[n-]1)Cc1ccc(Cl)c(Cl)c1 ZINC000340957451 1020673943 /nfs/dbraw/zinc/67/39/43/1020673943.db2.gz VPAAAEOZGIEYRF-UHFFFAOYSA-N -1 0 343.258 3.865 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)C[C@@]1(C(=O)[O-])CCSC1 ZINC000656483945 1020706771 /nfs/dbraw/zinc/70/67/71/1020706771.db2.gz HRDJAQNNYHXTCJ-AWEZNQCLSA-N -1 0 345.873 3.598 20 0 EHADRM Cc1cc2[n-]c(Cc3cc(Cl)c4c(c3)OCCO4)nc(=O)c2s1 ZINC000656492123 1020720738 /nfs/dbraw/zinc/72/07/38/1020720738.db2.gz WCDGGILPNJPFFE-UHFFFAOYSA-N -1 0 348.811 3.721 20 0 EHADRM Cc1cc2[n-]c(CN(C(=O)c3ccccc3)C3CC3)nc(=O)c2s1 ZINC000656492017 1020720823 /nfs/dbraw/zinc/72/08/23/1020720823.db2.gz TUOLTYGOLDIDAZ-UHFFFAOYSA-N -1 0 339.420 3.510 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1c1nc2cc(C(F)(F)F)ccc2s1 ZINC000565953168 1020741611 /nfs/dbraw/zinc/74/16/11/1020741611.db2.gz BJXRQRRRNHUAQX-VXNVDRBHSA-N -1 0 330.331 3.615 20 0 EHADRM Cc1ccccc1S([O-])=CC(=O)N[C@H](c1ccccc1)C(C)C ZINC000108088213 1020780180 /nfs/dbraw/zinc/78/01/80/1020780180.db2.gz JGAHEYCJYPNQGI-CVDCTZTESA-N -1 0 329.465 3.616 20 0 EHADRM C=CCC[C@H](C(=O)[N-]S(=O)(=O)c1ccccc1C)c1ccccc1 ZINC000188629750 1020864214 /nfs/dbraw/zinc/86/42/14/1020864214.db2.gz YXSSYSXUWXOUQX-KRWDZBQOSA-N -1 0 343.448 3.550 20 0 EHADRM O=C([O-])CCCN(Cc1nc(C2CCCC2)no1)Cc1ccccc1 ZINC000581434490 1020910635 /nfs/dbraw/zinc/91/06/35/1020910635.db2.gz AHESBSPAJPKBAL-UHFFFAOYSA-N -1 0 343.427 3.594 20 0 EHADRM Cc1nc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])c2ccccn12 ZINC000760426859 1032942691 /nfs/dbraw/zinc/94/26/91/1032942691.db2.gz PMKCBKFCNXPMOI-UHFFFAOYSA-N -1 0 336.178 3.907 20 0 EHADRM O=S(=O)([N-]c1cccc(C2CC2)n1)c1ccc(C(F)(F)F)cc1 ZINC000581469886 1020938797 /nfs/dbraw/zinc/93/87/97/1020938797.db2.gz DXLBHAJMNWYLCF-UHFFFAOYSA-N -1 0 342.342 3.779 20 0 EHADRM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ncsc1C(C)C ZINC000341083680 1020960423 /nfs/dbraw/zinc/96/04/23/1020960423.db2.gz MWYLJCCVGAHXQI-UHFFFAOYSA-N -1 0 347.465 3.924 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)C=CCCC3)C1 ZINC000656605274 1020994894 /nfs/dbraw/zinc/99/48/94/1020994894.db2.gz QTKAMECMWNAYPU-AWEZNQCLSA-N -1 0 328.412 3.755 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)NCc1cccc(C)c1 ZINC000581525499 1021054396 /nfs/dbraw/zinc/05/43/96/1021054396.db2.gz MNGJMYWREWFIOE-GOSISDBHSA-N -1 0 340.423 3.743 20 0 EHADRM Cc1c(Br)cccc1[N-]S(=O)(=O)c1cccs1 ZINC000171013084 1032950743 /nfs/dbraw/zinc/95/07/43/1032950743.db2.gz UUWIMEYKCJKMBT-UHFFFAOYSA-N -1 0 332.244 3.620 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(F)F)nc2)cc1C ZINC000656634445 1021067143 /nfs/dbraw/zinc/06/71/43/1021067143.db2.gz YSYDLXVDBDHODO-UHFFFAOYSA-N -1 0 342.367 3.527 20 0 EHADRM Cc1noc2nc(C)cc(C(=O)Nc3cc(Cl)c([O-])cc3F)c12 ZINC000436774579 1021203921 /nfs/dbraw/zinc/20/39/21/1021203921.db2.gz UABGXKIHTRPXLP-UHFFFAOYSA-N -1 0 335.722 3.590 20 0 EHADRM CCC[C@H](C)[C@H]1CCCN1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000427207389 1021214594 /nfs/dbraw/zinc/21/45/94/1021214594.db2.gz VQCNURLJQCRRGY-DZGCQCFKSA-N -1 0 345.418 3.758 20 0 EHADRM O=C(Nc1cccc(-c2cc[nH]n2)c1)c1cc(F)cc(Cl)c1[O-] ZINC000436769276 1021220346 /nfs/dbraw/zinc/22/03/46/1021220346.db2.gz HKVUNHATNPCVCT-UHFFFAOYSA-N -1 0 331.734 3.827 20 0 EHADRM COC(=O)c1cc(NC(=O)c2ccc([O-])c(Cl)c2)cc2[nH]ccc21 ZINC000436782339 1021223585 /nfs/dbraw/zinc/22/35/85/1021223585.db2.gz XJLZYBDVIKMGBJ-UHFFFAOYSA-N -1 0 344.754 3.566 20 0 EHADRM CCc1ccc(C)nc1[N-]S(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000656737402 1021231403 /nfs/dbraw/zinc/23/14/03/1021231403.db2.gz DKWBRGBRRHGIPT-UHFFFAOYSA-N -1 0 346.452 3.592 20 0 EHADRM COc1cc(NC(=O)c2cc(F)c([O-])c(F)c2)ccc1C(F)(F)F ZINC000436790694 1021232537 /nfs/dbraw/zinc/23/25/37/1021232537.db2.gz HNVCIFTZIBSXFQ-UHFFFAOYSA-N -1 0 347.239 3.950 20 0 EHADRM Cc1ccnc([N-]S(=O)(=O)c2cc(F)ccc2Cl)c1C1CC1 ZINC000656738037 1021235007 /nfs/dbraw/zinc/23/50/07/1021235007.db2.gz DXVGEVUKWPICCH-UHFFFAOYSA-N -1 0 340.807 3.861 20 0 EHADRM O=S(=O)([N-]c1cncc2c1CCCC2)c1ccc(F)cc1Cl ZINC000656739941 1021237229 /nfs/dbraw/zinc/23/72/29/1021237229.db2.gz AQMUKBIYTQWFIO-UHFFFAOYSA-N -1 0 340.807 3.554 20 0 EHADRM N=c1[n-]nc(-c2ccc(OCCCSCc3ccccc3)cc2)o1 ZINC000439205509 1021238643 /nfs/dbraw/zinc/23/86/43/1021238643.db2.gz NVQJDOUTOPKAFP-UHFFFAOYSA-N -1 0 341.436 3.851 20 0 EHADRM O=C(COc1c(Cl)cccc1Cl)Nc1ccc(F)c(F)c1[O-] ZINC001625988245 1032967504 /nfs/dbraw/zinc/96/75/04/1032967504.db2.gz RURHEOXVAAGSPO-UHFFFAOYSA-N -1 0 348.132 3.995 20 0 EHADRM CCOc1ccc(CNc2cc(C(=O)[O-])ccc2OC)cc1OCC ZINC000020881228 1032967776 /nfs/dbraw/zinc/96/77/76/1032967776.db2.gz UOTVKJYUBMYZCL-UHFFFAOYSA-N -1 0 345.395 3.803 20 0 EHADRM Cn1ncc(NC(=O)c2cc(Cl)ccc2[O-])c1-c1ccccc1 ZINC000436809740 1021255974 /nfs/dbraw/zinc/25/59/74/1021255974.db2.gz PTIFGFKFTDCUIJ-UHFFFAOYSA-N -1 0 327.771 3.698 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)Cc2cccc3cccnc32)c1 ZINC000436832791 1021263618 /nfs/dbraw/zinc/26/36/18/1021263618.db2.gz IQNTVEQAGMICSY-UHFFFAOYSA-N -1 0 334.375 3.714 20 0 EHADRM CCCN=c1[n-]nc(SCc2ccc(-n3ccnc3)cc2C)s1 ZINC000427264018 1021267398 /nfs/dbraw/zinc/26/73/98/1021267398.db2.gz BIEVTAINFFRQPB-UHFFFAOYSA-N -1 0 345.497 3.568 20 0 EHADRM C[C@@]1(C2CC2)CN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CCO1 ZINC000656757698 1021278056 /nfs/dbraw/zinc/27/80/56/1021278056.db2.gz RBQKSCYHWTYPRS-ZBFHGGJFSA-N -1 0 344.238 3.620 20 0 EHADRM COc1cccc(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)c1Cl ZINC000656755999 1021278276 /nfs/dbraw/zinc/27/82/76/1021278276.db2.gz GDILZMPTFYNVOD-OAHLLOKOSA-N -1 0 331.799 3.533 20 0 EHADRM Cc1oc(CN2C[C@H](c3cccc(F)c3)OCC2(C)C)cc1C(=O)[O-] ZINC000656765367 1021297126 /nfs/dbraw/zinc/29/71/26/1021297126.db2.gz KTEZQTDNUXRPAC-QGZVFWFLSA-N -1 0 347.386 3.777 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2ncoc2-c2ccc(C)cc2)c1 ZINC000436861262 1021298839 /nfs/dbraw/zinc/29/88/39/1021298839.db2.gz KDCTUTLPXXJWMH-UHFFFAOYSA-N -1 0 336.347 3.811 20 0 EHADRM COc1ccc(/C=C/c2nc3cc(C(=O)[O-])ccc3o2)c(OC)c1 ZINC000439275154 1021310529 /nfs/dbraw/zinc/31/05/29/1021310529.db2.gz ONGZOIMWORWZND-VMPITWQZSA-N -1 0 325.320 3.714 20 0 EHADRM Cc1ncccc1-c1noc(-c2ccc(Br)cc2[O-])n1 ZINC000436883069 1021333584 /nfs/dbraw/zinc/33/35/84/1021333584.db2.gz AWMHCZWBQCACBP-UHFFFAOYSA-N -1 0 332.157 3.575 20 0 EHADRM c1ccc2cc(OCCSc3n[n-]c(=NC4CC4)s3)ccc2c1 ZINC000506547021 1021355691 /nfs/dbraw/zinc/35/56/91/1021355691.db2.gz HRZLIUQAYBYNAP-UHFFFAOYSA-N -1 0 343.477 3.859 20 0 EHADRM COC(=O)C(C)(C)c1ccc(NC(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000436934245 1021397791 /nfs/dbraw/zinc/39/77/91/1021397791.db2.gz WIVPAUWXFVXFDW-UHFFFAOYSA-N -1 0 347.798 3.749 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000427451066 1021409988 /nfs/dbraw/zinc/40/99/88/1021409988.db2.gz PALKULZKQOIXMJ-SNVBAGLBSA-N -1 0 329.849 3.786 20 0 EHADRM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cc(F)c([O-])c(F)c1)[C@@H]2C ZINC000436970227 1021442053 /nfs/dbraw/zinc/44/20/53/1021442053.db2.gz LBLZNVWLZHVHMP-GHMZBOCLSA-N -1 0 347.361 3.827 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)CC2(CCc3ccccc3)CCCC2)C1 ZINC000507708909 1021463243 /nfs/dbraw/zinc/46/32/43/1021463243.db2.gz PGGWEBRGUPBNDA-GOSISDBHSA-N -1 0 343.467 3.893 20 0 EHADRM C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436999114 1021468427 /nfs/dbraw/zinc/46/84/27/1021468427.db2.gz IZPSLBXKWSTYGM-MUWHJKNJSA-N -1 0 325.689 3.598 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCCOCc1ccccc1)C1CCCCC1 ZINC000346001613 1021494333 /nfs/dbraw/zinc/49/43/33/1021494333.db2.gz QBUSLTZQMAPYLT-GOSISDBHSA-N -1 0 347.455 3.523 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N[C@H]1CCC[C@]1(C)C(=O)[O-] ZINC000659236832 1021496822 /nfs/dbraw/zinc/49/68/22/1021496822.db2.gz NSAKMVVUEVZMMC-GUYCJALGSA-N -1 0 335.400 3.722 20 0 EHADRM O=S(=O)([N-]c1ccccc1OCC1CC1)c1c(F)cccc1F ZINC000607103128 1032984916 /nfs/dbraw/zinc/98/49/16/1032984916.db2.gz UHKCNSVLMHEAKJ-UHFFFAOYSA-N -1 0 339.363 3.554 20 0 EHADRM O=S(=O)([N-]c1ccccc1OCC1CC1)c1ccc(Cl)cc1 ZINC000607103268 1032988588 /nfs/dbraw/zinc/98/85/88/1032988588.db2.gz ZODYMHUIGLYAOL-UHFFFAOYSA-N -1 0 337.828 3.930 20 0 EHADRM Cc1cccc(NC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])c1Cl ZINC000326308313 1021592223 /nfs/dbraw/zinc/59/22/23/1021592223.db2.gz JJGVEJANDQEWOI-HNNXBMFYSA-N -1 0 344.798 3.692 20 0 EHADRM CCCC[C@H](NC(=O)N[C@@H](C)c1cc2ccccc2s1)C(=O)[O-] ZINC000518815830 1021593140 /nfs/dbraw/zinc/59/31/40/1021593140.db2.gz KOUYLPWPWMOPKD-AAEUAGOBSA-N -1 0 334.441 3.905 20 0 EHADRM CCc1csc(NC(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])n1 ZINC001299214598 1032993416 /nfs/dbraw/zinc/99/34/16/1032993416.db2.gz BCLYLZBUNMUJHS-UHFFFAOYSA-N -1 0 342.376 3.736 20 0 EHADRM CC(C)Oc1c(Cl)cccc1[N-]S(=O)(=O)c1ccsc1 ZINC000506633275 1021600323 /nfs/dbraw/zinc/60/03/23/1021600323.db2.gz ORVLQRYJDYYZEW-UHFFFAOYSA-N -1 0 331.846 3.990 20 0 EHADRM COCCN=c1[n-]nc(S[C@H](C)c2c(C)cc(C)cc2C)s1 ZINC000518843210 1021622165 /nfs/dbraw/zinc/62/21/65/1021622165.db2.gz AZEOSHORNNPBGB-CYBMUJFWSA-N -1 0 337.514 3.797 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cn1)c1ccc2oc3ccccc3c2c1 ZINC000518857655 1021634638 /nfs/dbraw/zinc/63/46/38/1021634638.db2.gz PUEUPSPTWATVFH-UHFFFAOYSA-N -1 0 342.351 3.921 20 0 EHADRM CCCC[C@H](NC(=O)Nc1ccc(OC(C)C)c(Cl)c1)C(=O)[O-] ZINC000519729616 1021637375 /nfs/dbraw/zinc/63/73/75/1021637375.db2.gz KKWYHFXHDIMELX-ZDUSSCGKSA-N -1 0 342.823 3.892 20 0 EHADRM COC(=O)c1nc(NCc2cccc(Cl)c2Cl)sc1C ZINC000581763844 1021716756 /nfs/dbraw/zinc/71/67/56/1021716756.db2.gz ZAPAYJINAKSTMG-UHFFFAOYSA-N -1 0 331.224 3.579 20 0 EHADRM CC(C)(CCNC(=O)Nc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000326318704 1021817435 /nfs/dbraw/zinc/81/74/35/1021817435.db2.gz NUFUBYMEEQAAKQ-UHFFFAOYSA-N -1 0 326.396 3.976 20 0 EHADRM Cc1n[n-]c(=NC(=O)N2CCCCC[C@H]2/C=C/c2ccccc2)s1 ZINC000440922903 1021872357 /nfs/dbraw/zinc/87/23/57/1021872357.db2.gz ZQGRBHDDIBYVJC-PCUGXKRQSA-N -1 0 342.468 3.758 20 0 EHADRM CCc1ccsc1C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000049004069 1021926850 /nfs/dbraw/zinc/92/68/50/1021926850.db2.gz KNGZMIOZOKSHBL-UHFFFAOYSA-N -1 0 329.830 3.657 20 0 EHADRM O=C([O-])[C@H](CNC(=O)CCCc1csc2ccccc12)CC1CC1 ZINC000517035494 1021962026 /nfs/dbraw/zinc/96/20/26/1021962026.db2.gz KVBXPWYFWANSJB-HNNXBMFYSA-N -1 0 345.464 3.841 20 0 EHADRM Cc1ccc2c(n1)[n-]cc(C(=O)Nc1ncc(C(C)(C)C)s1)c2=O ZINC000440344831 1022104599 /nfs/dbraw/zinc/10/45/99/1022104599.db2.gz XPHXGRZHFTZIBE-UHFFFAOYSA-N -1 0 342.424 3.650 20 0 EHADRM C[C@H](CCC(=O)[N-]S(=O)(=O)/C=C\c1ccccc1)c1ccccc1 ZINC000255372061 1022109616 /nfs/dbraw/zinc/10/96/16/1022109616.db2.gz AJSOKROSMGOYGS-YARYAAFXSA-N -1 0 343.448 3.687 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCN(C2CC2)c2ccccc21 ZINC000187541626 1022197781 /nfs/dbraw/zinc/19/77/81/1022197781.db2.gz JZCPEVLVWQCMKO-UHFFFAOYSA-N -1 0 328.799 3.675 20 0 EHADRM CC(C)c1n[n-]c(=NC(=O)c2ccncc2Oc2ccccc2)s1 ZINC000440442779 1022323694 /nfs/dbraw/zinc/32/36/94/1022323694.db2.gz IGYQZCKNSLKGLN-UHFFFAOYSA-N -1 0 340.408 3.523 20 0 EHADRM O=C(Nc1cc(Br)ccc1O)[C@H]1Cc2ccc(F)cc21 ZINC000684470667 1022326114 /nfs/dbraw/zinc/32/61/14/1022326114.db2.gz NFHDFHNZPPXHQI-LBPRGKRZSA-N -1 0 336.160 3.572 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655574627 1022391801 /nfs/dbraw/zinc/39/18/01/1022391801.db2.gz BXVXEFLBNDPRTH-XYVMCAHJSA-N -1 0 345.483 3.897 20 0 EHADRM CSCc1ccc(C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)cc1 ZINC000319956425 1022428696 /nfs/dbraw/zinc/42/86/96/1022428696.db2.gz CTIPEHHUFVCFOO-WDZFZDKYSA-N -1 0 327.405 3.900 20 0 EHADRM CCc1ccc(CCC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000237162660 1022462422 /nfs/dbraw/zinc/46/24/22/1022462422.db2.gz PAJQGHHLBAUFNK-UHFFFAOYSA-N -1 0 325.408 3.538 20 0 EHADRM CCCN(C(=O)c1s[n-]c(=O)c1Cl)[C@H]1C[C@H](OCC)C1(C)C ZINC000328748422 1022480331 /nfs/dbraw/zinc/48/03/31/1022480331.db2.gz BHGYSNWHTJDVIN-UWVGGRQHSA-N -1 0 346.880 3.558 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2N(C)C)s1 ZINC000517611150 1022484654 /nfs/dbraw/zinc/48/46/54/1022484654.db2.gz AJIWNQJQBGWAPN-UHFFFAOYSA-N -1 0 344.889 3.831 20 0 EHADRM Cc1nc(C(=O)N2CCC[C@@H](C3CCCCC3)C2)ccc1C(=O)[O-] ZINC000659232795 1022495339 /nfs/dbraw/zinc/49/53/39/1022495339.db2.gz GAQJSVXTMVQNEO-OAHLLOKOSA-N -1 0 330.428 3.521 20 0 EHADRM Cc1cc(C(=O)NC2(CC(=O)[O-])CC2)sc1-c1ccc(F)cc1 ZINC000581948503 1022511448 /nfs/dbraw/zinc/51/14/48/1022511448.db2.gz PQHZHNRGMZHIHJ-UHFFFAOYSA-N -1 0 333.384 3.600 20 0 EHADRM O=S(=O)([N-]c1ccccc1SC(F)F)c1ccccc1F ZINC000007055885 1022576965 /nfs/dbraw/zinc/57/69/65/1022576965.db2.gz DMWOUOHPFCLELN-UHFFFAOYSA-N -1 0 333.356 3.941 20 0 EHADRM CC[C@H]1CC[C@H](C(=O)Nc2cc(Br)cc(Cl)c2[O-])O1 ZINC000330516523 1022595344 /nfs/dbraw/zinc/59/53/44/1022595344.db2.gz WNCNTINVUXKCND-GZMMTYOYSA-N -1 0 348.624 3.704 20 0 EHADRM Cc1c(Nc2cc(F)ccc2[S-])c(=O)n(-c2ccccc2)n1C ZINC001167977686 1022738626 /nfs/dbraw/zinc/73/86/26/1022738626.db2.gz DKAKXHFLQJZCJM-UHFFFAOYSA-N -1 0 329.400 3.656 20 0 EHADRM C[C@@H]1CC[C@H](CSc2n[n-]c(=Nc3cccc(F)c3)s2)O1 ZINC000473781273 1022755786 /nfs/dbraw/zinc/75/57/86/1022755786.db2.gz XSRPVOLSQMUQQQ-BXKDBHETSA-N -1 0 325.434 3.502 20 0 EHADRM O=S(=O)([N-]c1ccccc1Oc1ccncc1)c1ccc(F)cc1 ZINC000111995567 1022783821 /nfs/dbraw/zinc/78/38/21/1022783821.db2.gz PTXAJUBNQNQAHS-UHFFFAOYSA-N -1 0 344.367 3.814 20 0 EHADRM Cc1nc(CNCc2ccc(Cl)c(Cl)c2)sc1C(=O)[O-] ZINC000426670393 1022816985 /nfs/dbraw/zinc/81/69/85/1022816985.db2.gz FLHUFAPZPBDWCQ-UHFFFAOYSA-N -1 0 331.224 3.746 20 0 EHADRM Cc1nc2ccc(NC(=O)CC3CCC(C(=O)[O-])CC3)cc2s1 ZINC000517939838 1022864395 /nfs/dbraw/zinc/86/43/95/1022864395.db2.gz MIJXPNDKBRDTBA-UHFFFAOYSA-N -1 0 332.425 3.824 20 0 EHADRM O=C(c1nn(-c2cccc(F)c2)cc1[O-])N1CCC2(CCCC2)CC1 ZINC000517972375 1022901138 /nfs/dbraw/zinc/90/11/38/1022901138.db2.gz PGEWVJCVNSAILH-UHFFFAOYSA-N -1 0 343.402 3.513 20 0 EHADRM O=C([O-])C[C@@H](NCc1csc(-c2ccccn2)n1)c1ccsc1 ZINC000426686098 1022960349 /nfs/dbraw/zinc/96/03/49/1022960349.db2.gz LLFUBKWPOLYWMB-CQSZACIVSA-N -1 0 345.449 3.572 20 0 EHADRM O=C([O-])C[C@@H](NCc1coc(-c2ccccc2)n1)c1ccsc1 ZINC000426691887 1022979569 /nfs/dbraw/zinc/97/95/69/1022979569.db2.gz MGYSXRHQFPJZHH-OAHLLOKOSA-N -1 0 328.393 3.709 20 0 EHADRM CC[C@@]1(CO)CCCN1C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000189153371 1022981937 /nfs/dbraw/zinc/98/19/37/1022981937.db2.gz HKKSHTMKBFOYRT-SFHVURJKSA-N -1 0 333.815 3.576 20 0 EHADRM O=C([O-])[C@H](CC1CCCC1)NCc1csc(-c2ccccc2)n1 ZINC000426722367 1022989818 /nfs/dbraw/zinc/98/98/18/1022989818.db2.gz HMLKDLVANXAAPX-INIZCTEOSA-N -1 0 330.453 3.933 20 0 EHADRM CC[C@]1(C)Oc2ccc(NC(=O)c3cc(F)c([O-])c(F)c3)cc2O1 ZINC000189291546 1022993840 /nfs/dbraw/zinc/99/38/40/1022993840.db2.gz LATUJKOSKQTDCE-QGZVFWFLSA-N -1 0 335.306 3.820 20 0 EHADRM CC1CCC(O)(CSc2n[n-]c(=NC3CCCCC3)s2)CC1 ZINC000438779902 1022995783 /nfs/dbraw/zinc/99/57/83/1022995783.db2.gz GVIHDCCWDJFRJP-UHFFFAOYSA-N -1 0 341.546 3.738 20 0 EHADRM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000341682953 1023003671 /nfs/dbraw/zinc/00/36/71/1023003671.db2.gz KCWRMNMNMYCHRN-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM COc1cccc(CN[C@@H](C(=O)[O-])c2c(Cl)cccc2Cl)c1 ZINC000426752068 1023021010 /nfs/dbraw/zinc/02/10/10/1023021010.db2.gz ASYJVUYAFBGDQH-OAHLLOKOSA-N -1 0 340.206 3.918 20 0 EHADRM CCCCOc1cc(CN[C@@H](C(=O)[O-])c2cccs2)ccc1OC ZINC000426822087 1023066575 /nfs/dbraw/zinc/06/65/75/1023066575.db2.gz ZQICZEGKUDPRIV-QGZVFWFLSA-N -1 0 349.452 3.851 20 0 EHADRM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2cncc(Cl)c2)c1 ZINC000506994447 1023068989 /nfs/dbraw/zinc/06/89/89/1023068989.db2.gz IPENMQLGUDYFBP-LLVKDONJSA-N -1 0 340.832 3.713 20 0 EHADRM CCCSC[C@@H](NCc1ccc(-c2ccc(C)cc2)o1)C(=O)[O-] ZINC000426827659 1023072811 /nfs/dbraw/zinc/07/28/11/1023072811.db2.gz IVZVAYSUFZHXOR-MRXNPFEDSA-N -1 0 333.453 3.941 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCO3)c(Cl)c1 ZINC000509590750 1023096562 /nfs/dbraw/zinc/09/65/62/1023096562.db2.gz NGTSDCWOVCFBTI-UHFFFAOYSA-N -1 0 337.828 3.774 20 0 EHADRM CCc1nc(=NCc2ccnc(Oc3cccc(C)c3C)c2)s[n-]1 ZINC000426883991 1023098792 /nfs/dbraw/zinc/09/87/92/1023098792.db2.gz RLDRGTVSBZNOSS-UHFFFAOYSA-N -1 0 340.452 3.939 20 0 EHADRM CC[C@@H](C)c1ccc([C@@H](NC(=O)N=c2[n-]ncs2)C(C)C)cc1 ZINC000518179827 1023107955 /nfs/dbraw/zinc/10/79/55/1023107955.db2.gz CCCXMDLHPSWAQK-DOMZBBRYSA-N -1 0 332.473 3.992 20 0 EHADRM O=C(Nc1cc(Cc2ccccc2)ccc1O)C(=O)c1ccc(O)cc1 ZINC000438909711 1023127703 /nfs/dbraw/zinc/12/77/03/1023127703.db2.gz JVYLKYIGNMFQQU-UHFFFAOYSA-N -1 0 347.370 3.510 20 0 EHADRM FC(F)(F)CN=c1[n-]nc(SCc2sccc2Cl)s1 ZINC000550009610 1023134243 /nfs/dbraw/zinc/13/42/43/1023134243.db2.gz POHQXICWDSPPAT-UHFFFAOYSA-N -1 0 345.824 3.941 20 0 EHADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)Nc1cccc(Cl)c1Cl)C2 ZINC000519590701 1023149051 /nfs/dbraw/zinc/14/90/51/1023149051.db2.gz NPMUDMARJDHDDF-BJOHPYRUSA-N -1 0 343.210 3.712 20 0 EHADRM CCC(CC)N(C(=O)N=c1nc(-c2ccsc2)[n-]s1)C1CC1 ZINC000581983479 1023157938 /nfs/dbraw/zinc/15/79/38/1023157938.db2.gz XZOAKZDEYCCSME-UHFFFAOYSA-N -1 0 336.486 3.873 20 0 EHADRM O=C([O-])c1cc(/C=C\c2ccc(-n3cnc4ccccc43)cc2)ncn1 ZINC000536387916 1023161988 /nfs/dbraw/zinc/16/19/88/1023161988.db2.gz TUHLCSHMDCNBGI-YVMONPNESA-N -1 0 342.358 3.684 20 0 EHADRM COc1cc([C@@H](C)N=c2[n-]nc(C3CC3)o2)ccc1OCCC(C)C ZINC000341725444 1023194380 /nfs/dbraw/zinc/19/43/80/1023194380.db2.gz DKPSWUFZGKDDRW-CYBMUJFWSA-N -1 0 345.443 3.976 20 0 EHADRM CSc1ccccc1C(=O)N[C@@H](CC(=O)[O-])c1ccccc1C ZINC000507281069 1023228250 /nfs/dbraw/zinc/22/82/50/1023228250.db2.gz GBOANMMCDCZCOO-HNNXBMFYSA-N -1 0 329.421 3.663 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2N(C)C)c1C ZINC000518332318 1023229222 /nfs/dbraw/zinc/22/92/22/1023229222.db2.gz QSFFDFWOGIBNLZ-UHFFFAOYSA-N -1 0 332.469 3.787 20 0 EHADRM O=C([O-])[C@H]1CC[C@H]1C(=O)NCC1(c2ccccc2)CCCCCC1 ZINC000507342983 1023256158 /nfs/dbraw/zinc/25/61/58/1023256158.db2.gz UMEYDJUGBQDPEI-SJORKVTESA-N -1 0 329.440 3.506 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)c2ccc(C(F)(F)F)c(F)c2)s[n-]1 ZINC000439098160 1023267175 /nfs/dbraw/zinc/26/71/75/1023267175.db2.gz GOIGPTMQTRSXNT-UHFFFAOYSA-N -1 0 347.337 3.668 20 0 EHADRM CC(C)c1ccc(OCCNC(=O)CC2(C(=O)[O-])CCCCC2)cc1 ZINC000614570809 1023299570 /nfs/dbraw/zinc/29/95/70/1023299570.db2.gz SQZXOJTYLIOXNZ-UHFFFAOYSA-N -1 0 347.455 3.730 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)s1 ZINC000431162891 1023365299 /nfs/dbraw/zinc/36/52/99/1023365299.db2.gz VPYCGIMSMPJCQJ-UHFFFAOYSA-N -1 0 333.381 3.767 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)sc1Cl ZINC000431165843 1023375299 /nfs/dbraw/zinc/37/52/99/1023375299.db2.gz HCBRWPGTBBWBDP-UHFFFAOYSA-N -1 0 341.763 3.928 20 0 EHADRM O=C([O-])CC1(CC(=O)NC[C@H](c2ccccc2)C2CC2)CCCC1 ZINC000431181731 1023407838 /nfs/dbraw/zinc/40/78/38/1023407838.db2.gz SUHIRBVWDCRDQQ-QGZVFWFLSA-N -1 0 329.440 3.722 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])[NH2+]Cc2ccc(OC(C)C)cc2)c1 ZINC000276938066 1023422441 /nfs/dbraw/zinc/42/24/41/1023422441.db2.gz ABRXTVJMSIDCRQ-IBGZPJMESA-N -1 0 343.423 3.788 20 0 EHADRM CC[C@@H](NC(=O)N=c1[n-]nc(C(F)F)s1)c1cc(C)ccc1C ZINC000528944569 1033131652 /nfs/dbraw/zinc/13/16/52/1033131652.db2.gz NUBPFKWJNFQTFO-LLVKDONJSA-N -1 0 340.399 3.787 20 0 EHADRM O=S(=O)(CCc1ccc(Cl)cc1)[N-]c1scnc1C1CC1 ZINC000581997394 1023460031 /nfs/dbraw/zinc/46/00/31/1023460031.db2.gz GSRVYZRDLWDXEX-UHFFFAOYSA-N -1 0 342.873 3.658 20 0 EHADRM O=C([O-])C1CCC(CC(=O)NCc2cccc(C(F)(F)F)c2)CC1 ZINC000582006074 1023506585 /nfs/dbraw/zinc/50/65/85/1023506585.db2.gz XYVGZXFYSBPKQX-UHFFFAOYSA-N -1 0 343.345 3.603 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)c1cc(C)ccc1SC1CCCC1 ZINC000190705248 1023960610 /nfs/dbraw/zinc/96/06/10/1023960610.db2.gz YINAMQUDUGZSGH-UHFFFAOYSA-N -1 0 335.469 3.967 20 0 EHADRM Cc1cc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c(C)n1C(C)C ZINC000262324311 1023980523 /nfs/dbraw/zinc/98/05/23/1023980523.db2.gz SPYZVJWFJXNOHF-OIISXLGYSA-N -1 0 332.444 3.544 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C1(c2cccc(F)c2)CCC1 ZINC000262186524 1024046819 /nfs/dbraw/zinc/04/68/19/1024046819.db2.gz MZBRHAOZMSQTNF-UHFFFAOYSA-N -1 0 327.355 3.893 20 0 EHADRM Cc1ccc(-c2[n-][nH]c(=NC(=O)[C@@H](C)c3ccc(F)c(F)c3)c2C)o1 ZINC000434441731 1024047686 /nfs/dbraw/zinc/04/76/86/1024047686.db2.gz SBGIDCILAFPLPN-JTQLQIEISA-N -1 0 345.349 3.729 20 0 EHADRM CC(C)c1ccc(CCC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000236636106 1024052292 /nfs/dbraw/zinc/05/22/92/1024052292.db2.gz QPXPBZLSPOWUCM-QGZVFWFLSA-N -1 0 331.456 3.846 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(CCC(=O)[O-])c2)c(C(F)(F)F)o1 ZINC000909509756 1024061345 /nfs/dbraw/zinc/06/13/45/1024061345.db2.gz CIXHCXXPIYVPFL-UHFFFAOYSA-N -1 0 341.285 3.876 20 0 EHADRM O=C([O-])CCCC(=O)c1ccc(-c2cc(C(F)(F)F)[nH]n2)cc1 ZINC000657203457 1024085364 /nfs/dbraw/zinc/08/53/64/1024085364.db2.gz ZSHJSCZZPWOAKN-UHFFFAOYSA-N -1 0 326.274 3.533 20 0 EHADRM COCc1cccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2O)c1 ZINC000443521832 1024089940 /nfs/dbraw/zinc/08/99/40/1024089940.db2.gz NUXKDTMMTWIGBZ-UHFFFAOYSA-N -1 0 349.452 3.637 20 0 EHADRM COCc1cc(-c2ccc(OC(C)(C)C(=O)[O-])cc2)ccc1OC ZINC000657204459 1024103239 /nfs/dbraw/zinc/10/32/39/1024103239.db2.gz QYKBPFVPXMNGNE-UHFFFAOYSA-N -1 0 330.380 3.751 20 0 EHADRM COC[C@H](C)Oc1cccc(-c2ccc(F)c(C(=O)[O-])c2OC)c1 ZINC000657205281 1024105490 /nfs/dbraw/zinc/10/54/90/1024105490.db2.gz DOSAPPRQGPDYLF-NSHDSACASA-N -1 0 334.343 3.613 20 0 EHADRM Cc1ccc2cc(-c3cncc([C@@H]4OCC[C@H]4C(=O)[O-])c3)ccc2n1 ZINC000657206355 1024129188 /nfs/dbraw/zinc/12/91/88/1024129188.db2.gz QEHZQSCOEVWBFP-MJGOQNOKSA-N -1 0 334.375 3.767 20 0 EHADRM COCCCOc1ccc(-c2ccccc2OCCC(=O)[O-])cc1 ZINC000657207512 1024131012 /nfs/dbraw/zinc/13/10/12/1024131012.db2.gz SSYKCMOFMMLNMN-UHFFFAOYSA-N -1 0 330.380 3.622 20 0 EHADRM COCCOc1ccccc1CNc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000417605136 1024142051 /nfs/dbraw/zinc/14/20/51/1024142051.db2.gz AMHUFEDTWGLMOE-OAHLLOKOSA-N -1 0 343.423 3.587 20 0 EHADRM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000520588686 1024168803 /nfs/dbraw/zinc/16/88/03/1024168803.db2.gz WRAJJQTUIFEDPQ-WGFJEIQISA-N -1 0 347.430 3.846 20 0 EHADRM CCC[C@@H](C(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1)c1ccccc1 ZINC000236842585 1024170962 /nfs/dbraw/zinc/17/09/62/1024170962.db2.gz QRSUPOWERMHMTQ-TZMCWYRMSA-N -1 0 346.452 3.911 20 0 EHADRM CCc1onc(C)c1[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000134764392 1024182565 /nfs/dbraw/zinc/18/25/65/1024182565.db2.gz MCPATMCAUJLPQM-UHFFFAOYSA-N -1 0 328.459 3.705 20 0 EHADRM Cc1cc(Nc2cnc(F)c(Br)c2)cc(C(=O)[O-])c1 ZINC001211534598 1024188299 /nfs/dbraw/zinc/18/82/99/1024188299.db2.gz AKLUFHKQPUWIBI-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM Cc1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c2cccnc12 ZINC000909541785 1024195660 /nfs/dbraw/zinc/19/56/60/1024195660.db2.gz OESIIYJDAWAULS-UHFFFAOYSA-N -1 0 338.407 3.907 20 0 EHADRM O=C([O-])[C@H]1C[C@H]([NH2+]Cc2ccccc2OCC2CC2)c2ccccc21 ZINC000417632941 1024207103 /nfs/dbraw/zinc/20/71/03/1024207103.db2.gz TYEITDOZPTZGIC-OALUTQOASA-N -1 0 337.419 3.878 20 0 EHADRM Cc1ccccc1S([O-])=CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000108091191 1024235746 /nfs/dbraw/zinc/23/57/46/1024235746.db2.gz YCNUMYBMKUGYOQ-XMMPIXPASA-N -1 0 343.492 3.930 20 0 EHADRM Cn1ncc(C(=O)Nc2cccc(Cl)c2[O-])c1-c1ccccc1 ZINC000342167108 1024278396 /nfs/dbraw/zinc/27/83/96/1024278396.db2.gz RPHXIZZJJRMLJY-UHFFFAOYSA-N -1 0 327.771 3.698 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2cc(Cl)ccc2F)cc1)C(=O)[O-] ZINC000191393668 1024291947 /nfs/dbraw/zinc/29/19/47/1024291947.db2.gz CCVXSECFCJMAHN-JTQLQIEISA-N -1 0 335.762 3.995 20 0 EHADRM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000520637827 1024319706 /nfs/dbraw/zinc/31/97/06/1024319706.db2.gz JYEVFJGHJYOHBA-UHFFFAOYSA-N -1 0 335.734 3.867 20 0 EHADRM Cc1cc(CCNC(=O)c2cc(F)c(F)c([O-])c2F)ccc1Cl ZINC000428288544 1024384896 /nfs/dbraw/zinc/38/48/96/1024384896.db2.gz QHEBXVGXSMGRHF-UHFFFAOYSA-N -1 0 343.732 3.744 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccc(Br)cc1C ZINC000607611164 1033214075 /nfs/dbraw/zinc/21/40/75/1033214075.db2.gz KIUSZSUYCWKCDU-UHFFFAOYSA-N -1 0 346.271 3.928 20 0 EHADRM c1sc(CCc2ccccc2)nc1CN=c1[n-]nc(C2CC2)s1 ZINC000425237722 1024496441 /nfs/dbraw/zinc/49/64/41/1024496441.db2.gz STQGVNZKRZRGGL-UHFFFAOYSA-N -1 0 342.493 3.691 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1ccccc1C(F)(F)F)CC2 ZINC000327205018 1024528839 /nfs/dbraw/zinc/52/88/39/1024528839.db2.gz IRDHBQQKXNFGCR-UHFFFAOYSA-N -1 0 349.308 3.602 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2cccc3ccccc32)cc(OC)c1 ZINC000033920161 1024529067 /nfs/dbraw/zinc/52/90/67/1024529067.db2.gz TXTGPRAMUJCIKC-UHFFFAOYSA-N -1 0 343.404 3.658 20 0 EHADRM Cc1cc(/C=C/C(=O)N(C)CCC(=O)[O-])c(C)n1C1CCCCC1 ZINC000237229084 1024557475 /nfs/dbraw/zinc/55/74/75/1024557475.db2.gz NJSNJLSGORGPOS-MDZDMXLPSA-N -1 0 332.444 3.556 20 0 EHADRM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000514594008 1024592516 /nfs/dbraw/zinc/59/25/16/1024592516.db2.gz ZGIKUSPOOMJPFC-UHFFFAOYSA-N -1 0 342.823 3.654 20 0 EHADRM C[C@@H](C(=O)N1CCc2ccc(C(=O)[O-])cc2C1)c1cccc(Cl)c1 ZINC000262134477 1024594535 /nfs/dbraw/zinc/59/45/35/1024594535.db2.gz HUMWROQUZDEZAW-GFCCVEGCSA-N -1 0 343.810 3.727 20 0 EHADRM c1nc2ccccn2c1CSc1n[n-]c(=NC2CCCCC2)s1 ZINC000469803579 1024608428 /nfs/dbraw/zinc/60/84/28/1024608428.db2.gz BXUQDZMIWKINAH-UHFFFAOYSA-N -1 0 345.497 3.645 20 0 EHADRM CC(C)c1nn(-c2ccccc2)cc1CN=c1[n-]nc(C(F)F)s1 ZINC000346309912 1024635505 /nfs/dbraw/zinc/63/55/05/1024635505.db2.gz XUHKFJHYZJNAHS-UHFFFAOYSA-N -1 0 349.410 3.819 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1C ZINC000391963290 1024641576 /nfs/dbraw/zinc/64/15/76/1024641576.db2.gz COZLMZSQCAAJGY-UHFFFAOYSA-N -1 0 347.436 3.728 20 0 EHADRM CC(C)[C@H](C(=O)[N-]S(=O)(=O)CC1CC1)c1cccc(Cl)c1 ZINC000079153153 1024651713 /nfs/dbraw/zinc/65/17/13/1024651713.db2.gz QKINYOPHILIKGF-AWEZNQCLSA-N -1 0 329.849 3.776 20 0 EHADRM CC(C)Nc1cc(F)ccc1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000346332508 1024656053 /nfs/dbraw/zinc/65/60/53/1024656053.db2.gz IOQWBKKLBKRBCT-UHFFFAOYSA-N -1 0 339.370 3.740 20 0 EHADRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1cncc2ccccc21 ZINC000548608280 1024677417 /nfs/dbraw/zinc/67/74/17/1024677417.db2.gz XPSSVXCAZVUQJC-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM Cc1ccc(NC(=O)c2cnc3ccccc3c2O)cc1OC(C)C ZINC000427654023 1024696258 /nfs/dbraw/zinc/69/62/58/1024696258.db2.gz LTRHSLPWFINXAU-UHFFFAOYSA-N -1 0 336.391 3.876 20 0 EHADRM COCc1cc(NC(=O)c2ccc(SC)cc2)cc(C(=O)[O-])c1 ZINC000427663112 1024709687 /nfs/dbraw/zinc/70/96/87/1024709687.db2.gz NCGDRESNPUQETK-UHFFFAOYSA-N -1 0 331.393 3.505 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2cc3ccccc3n2C)cc1)C(=O)[O-] ZINC000514771584 1024730581 /nfs/dbraw/zinc/73/05/81/1024730581.db2.gz GMAILMIZWZMKSE-CYBMUJFWSA-N -1 0 336.391 3.694 20 0 EHADRM CC(C)(C)c1nc(=NCc2nc3ccccc3n2C2CC2)s[n-]1 ZINC000548614534 1024733958 /nfs/dbraw/zinc/73/39/58/1024733958.db2.gz VFSFIOWDWDKDGL-UHFFFAOYSA-N -1 0 327.457 3.554 20 0 EHADRM CN(c1ccccc1[N-]S(=O)(=O)c1ccsc1)C1CCCC1 ZINC000507890085 1024753440 /nfs/dbraw/zinc/75/34/40/1024753440.db2.gz PUHICOBQOXXXMM-UHFFFAOYSA-N -1 0 336.482 3.928 20 0 EHADRM Cc1c(S(=O)(=O)[N-]c2ccc(-c3ccccc3)c(C)c2)cnn1C ZINC000427788413 1024783676 /nfs/dbraw/zinc/78/36/76/1024783676.db2.gz JRGWJKMOAKXASN-UHFFFAOYSA-N -1 0 341.436 3.505 20 0 EHADRM Clc1cccc(-c2noc([N-][C@H](c3ncccn3)C3CC3)n2)c1 ZINC000895778927 1024826636 /nfs/dbraw/zinc/82/66/36/1024826636.db2.gz LXIIJHVVTVFQGZ-ZDUSSCGKSA-N -1 0 327.775 3.743 20 0 EHADRM Cc1nc2cc(NC(=O)C[C@](C)(C(=O)[O-])c3ccccc3)ccc2o1 ZINC000012692719 1024860643 /nfs/dbraw/zinc/86/06/43/1024860643.db2.gz QJELOPULOSMZQT-IBGZPJMESA-N -1 0 338.363 3.507 20 0 EHADRM Cc1cc(C)cc(C[C@H](NCc2csc(C(C)(C)C)n2)C(=O)[O-])c1 ZINC000277386936 1024880336 /nfs/dbraw/zinc/88/03/36/1024880336.db2.gz RAYKCIGEFOPLLT-INIZCTEOSA-N -1 0 346.496 3.843 20 0 EHADRM CC[C@@H](CNC(=O)N(CC(=O)[O-])C1CCCCC1)c1ccccc1 ZINC000684714134 1024884927 /nfs/dbraw/zinc/88/49/27/1024884927.db2.gz KACMGNZFPTVYNC-HNNXBMFYSA-N -1 0 332.444 3.609 20 0 EHADRM O=S(=O)([N-]c1cc(C2CCCC2)[nH]n1)c1ccc(Cl)cc1F ZINC000474409450 1024913916 /nfs/dbraw/zinc/91/39/16/1024913916.db2.gz GTWYFTNOWQEFHI-UHFFFAOYSA-N -1 0 343.811 3.661 20 0 EHADRM Cc1cc(Cl)c(NC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1Cl ZINC000399078766 1024913931 /nfs/dbraw/zinc/91/39/31/1024913931.db2.gz SOIHBXWYMCWERY-WPRPVWTQSA-N -1 0 345.226 3.876 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1ccc(Sc2ccccn2)cc1 ZINC000427972362 1024916037 /nfs/dbraw/zinc/91/60/37/1024916037.db2.gz OIMCGFWRINTXDP-UHFFFAOYSA-N -1 0 344.436 3.606 20 0 EHADRM CC(C)(NC(=O)Nc1cccc(COC2CCCCC2)c1)C(=O)[O-] ZINC000515008237 1024967052 /nfs/dbraw/zinc/96/70/52/1024967052.db2.gz UKIVNDOSIIGRQA-UHFFFAOYSA-N -1 0 334.416 3.521 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2ccc3c4c(cccc42)CC3)c1 ZINC000428095033 1024977275 /nfs/dbraw/zinc/97/72/75/1024977275.db2.gz XGGZJBOVTYPNNR-UHFFFAOYSA-N -1 0 331.371 3.818 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)CSCC(F)(F)F)ccc2s1 ZINC000190898228 1025007494 /nfs/dbraw/zinc/00/74/94/1025007494.db2.gz XOJRQWYJIGPFPK-UHFFFAOYSA-N -1 0 349.355 3.834 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)N[C@H](C)c1oc2ccccc2c1C)C1CC1 ZINC000684722748 1025017272 /nfs/dbraw/zinc/01/72/72/1025017272.db2.gz JHGULWASXPMFGZ-IUODEOHRSA-N -1 0 344.411 3.839 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)N1CCCCC[C@@H]1C(=O)[O-] ZINC000684724102 1025032508 /nfs/dbraw/zinc/03/25/08/1025032508.db2.gz WWUCSUUIQACTAN-UKRRQHHQSA-N -1 0 344.411 3.841 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)N1CCCCC[C@H]1C(=O)[O-] ZINC000684725441 1025051705 /nfs/dbraw/zinc/05/17/05/1025051705.db2.gz HBJXHWDCHWBEIC-WBVHZDCISA-N -1 0 346.471 3.782 20 0 EHADRM C[C@@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccc(C(F)(F)F)cc1 ZINC000435710268 1025079758 /nfs/dbraw/zinc/07/97/58/1025079758.db2.gz JBPCLRLIIMXXDP-RAIGVLPGSA-N -1 0 343.345 3.774 20 0 EHADRM Cc1cc(CNC(=O)N(CC(=O)[O-])C2CCCCC2)ccc1Cl ZINC000684734302 1025095651 /nfs/dbraw/zinc/09/56/51/1025095651.db2.gz JAVDJGJFAITRPK-UHFFFAOYSA-N -1 0 338.835 3.577 20 0 EHADRM CO[C@@H](C)c1nc(=NC(=O)C=CCc2ccc(C(C)C)cc2)s[n-]1 ZINC000511061232 1025126307 /nfs/dbraw/zinc/12/63/07/1025126307.db2.gz CIDCYJYSGZTXFC-GFUIURDCSA-N -1 0 345.468 3.833 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)N[C@H](C)c1c(F)cccc1Cl ZINC000684739328 1025147650 /nfs/dbraw/zinc/14/76/50/1025147650.db2.gz KXSKQROBZMTOEI-MFKMUULPSA-N -1 0 344.814 3.681 20 0 EHADRM COc1cc(Br)nc(Nc2cc(C)cc(C(=O)[O-])c2)c1 ZINC001211539027 1025154266 /nfs/dbraw/zinc/15/42/66/1025154266.db2.gz BWHPRDOWNQWSNZ-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM Cc1nc([C@H]2CCCO2)sc1C(=O)Nc1cccc(Cl)c1[O-] ZINC000342400075 1025195976 /nfs/dbraw/zinc/19/59/76/1025195976.db2.gz AFNFCRQBZZHIPY-LLVKDONJSA-N -1 0 338.816 3.914 20 0 EHADRM O=C([O-])CN(C(=O)Nc1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000684744861 1025216237 /nfs/dbraw/zinc/21/62/37/1025216237.db2.gz HYJCEXFRWUTDIQ-UHFFFAOYSA-N -1 0 344.333 3.957 20 0 EHADRM O=C([O-])[C@@H]1CCCCCN1C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000684744874 1025216820 /nfs/dbraw/zinc/21/68/20/1025216820.db2.gz SKRBEMMYIJBEQW-KRWDZBQOSA-N -1 0 346.427 3.869 20 0 EHADRM CSc1c(F)cc(NC(=O)N2CCCCC[C@H]2C(=O)[O-])cc1F ZINC000684749539 1025264441 /nfs/dbraw/zinc/26/44/41/1025264441.db2.gz PKRZCZCBQVLOBU-LBPRGKRZSA-N -1 0 344.383 3.548 20 0 EHADRM CC(C)(CCNC(=O)Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)[O-] ZINC000327692593 1025272537 /nfs/dbraw/zinc/27/25/37/1025272537.db2.gz TUPCWGGIMDNHEN-UHFFFAOYSA-N -1 0 338.407 3.880 20 0 EHADRM CC[C@@H](c1n[n-]c(=NCc2ccc(OC)nc2)s1)c1ccccc1 ZINC000436022234 1025305033 /nfs/dbraw/zinc/30/50/33/1025305033.db2.gz LKVADMQRLIPUCN-OAHLLOKOSA-N -1 0 340.452 3.518 20 0 EHADRM O=C([O-])CCc1cccc(-c2cccc(CO[C@H]3CCOC3)c2)c1 ZINC000574531489 1033275356 /nfs/dbraw/zinc/27/53/56/1033275356.db2.gz DMWJMHCUWJFLJY-IBGZPJMESA-N -1 0 326.392 3.676 20 0 EHADRM O=C(C=CCc1ccc(F)cc1)N=c1nc(-c2ccsc2)[n-]s1 ZINC000474700361 1025356451 /nfs/dbraw/zinc/35/64/51/1025356451.db2.gz CUQNCPBSTWADNH-UPHRSURJSA-N -1 0 345.424 3.870 20 0 EHADRM CCn1cc(C(=O)Nc2cccc(Cl)c2[O-])c(C(F)(F)F)n1 ZINC000436103286 1025377131 /nfs/dbraw/zinc/37/71/31/1025377131.db2.gz KOPWYNKSVUUPBJ-UHFFFAOYSA-N -1 0 333.697 3.533 20 0 EHADRM CCCCOCCSc1n[n-]c(=Nc2ccccc2OC)s1 ZINC000515593560 1025388320 /nfs/dbraw/zinc/38/83/20/1025388320.db2.gz ZGSAGKFNUORAEA-UHFFFAOYSA-N -1 0 339.486 3.621 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)C1CCC(C(=O)[O-])CC1 ZINC000684771959 1025416361 /nfs/dbraw/zinc/41/63/61/1025416361.db2.gz SUZUDESQZRXIGN-UHFFFAOYSA-N -1 0 333.428 3.822 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1cc2[nH]ccc2cc1C ZINC000436146964 1025417691 /nfs/dbraw/zinc/41/76/91/1025417691.db2.gz BOGFBYPYCKORBC-UHFFFAOYSA-N -1 0 332.450 3.999 20 0 EHADRM CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCC[C@]1(C)C(=O)[O-] ZINC000530207841 1025484630 /nfs/dbraw/zinc/48/46/30/1025484630.db2.gz ROIXPRZDONVZPB-HXUWFJFHSA-N -1 0 346.471 3.811 20 0 EHADRM Cc1ccc(-n2cccn2)cc1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000192640883 1025529346 /nfs/dbraw/zinc/52/93/46/1025529346.db2.gz CEBYJHSSMRTDIM-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000324627446 1025538468 /nfs/dbraw/zinc/53/84/68/1025538468.db2.gz PSKPQZIIGQLOEP-DLBZAZTESA-N -1 0 329.440 3.610 20 0 EHADRM CCOc1cccc([C@@H](C)NC(=O)CC2(C(=O)[O-])CCCCC2)c1 ZINC000521727808 1025631416 /nfs/dbraw/zinc/63/14/16/1025631416.db2.gz ULTPGDWAFBCMBN-CQSZACIVSA-N -1 0 333.428 3.688 20 0 EHADRM Cc1nc2cc(NS(=O)(=O)c3ccccc3C(C)C)ccc2n1C ZINC000530330303 1025667942 /nfs/dbraw/zinc/66/79/42/1025667942.db2.gz XSFXMTWCZWDOGA-UHFFFAOYSA-N -1 0 343.452 3.806 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)nc1 ZINC000342465255 1025677602 /nfs/dbraw/zinc/67/76/02/1025677602.db2.gz MSBFXQXDDXEZAI-UHFFFAOYSA-N -1 0 330.381 3.542 20 0 EHADRM Cc1ccc2snc(C(=O)N3CCC[C@H](C(C)(C)C(=O)[O-])C3)c2c1 ZINC000909495150 1025692347 /nfs/dbraw/zinc/69/23/47/1025692347.db2.gz OIJORIMAEULWDR-LBPRGKRZSA-N -1 0 346.452 3.568 20 0 EHADRM CO[C@H](C)c1nc(=NC[C@@H](C)Oc2ccc(C(C)C)cc2)s[n-]1 ZINC000515889547 1025711675 /nfs/dbraw/zinc/71/16/75/1025711675.db2.gz AAQQEXHSTAUVJR-CHWSQXEVSA-N -1 0 335.473 3.670 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2cnc3ccc(F)cc3c2)c1 ZINC000436480455 1025757347 /nfs/dbraw/zinc/75/73/47/1025757347.db2.gz WHKXWKZUHGTQDZ-UHFFFAOYSA-N -1 0 348.424 3.897 20 0 EHADRM Cc1cc(S(=O)(=O)N[C@H](C)c2cnn(C(C)C)c2)sc1Cl ZINC000530385413 1025760310 /nfs/dbraw/zinc/76/03/10/1025760310.db2.gz LMGABVCCOFSNCJ-SNVBAGLBSA-N -1 0 347.893 3.527 20 0 EHADRM Cc1ncsc1C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000342476451 1025765281 /nfs/dbraw/zinc/76/52/81/1025765281.db2.gz VOUSAAAYYRGESW-UHFFFAOYSA-N -1 0 347.621 3.825 20 0 EHADRM COc1ccc(C(=O)NCCc2cccc(Cl)c2Cl)c(O)c1 ZINC000436511127 1025808873 /nfs/dbraw/zinc/80/88/73/1025808873.db2.gz GJGAFDQCMIRBKS-UHFFFAOYSA-N -1 0 340.206 3.680 20 0 EHADRM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000436521493 1025824723 /nfs/dbraw/zinc/82/47/23/1025824723.db2.gz FGEGJAHQNUXODE-TZMCWYRMSA-N -1 0 331.362 3.764 20 0 EHADRM CN(Cc1ccon1)C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436527260 1025831054 /nfs/dbraw/zinc/83/10/54/1025831054.db2.gz HKQFKCPUYPIXQM-UHFFFAOYSA-N -1 0 342.782 3.973 20 0 EHADRM CC1(C)Cc2cccc([N-]S(=O)(=O)c3cc4ccccc4o3)c2O1 ZINC000530436122 1025830964 /nfs/dbraw/zinc/83/09/64/1025830964.db2.gz FOZWHNIBKGFLGH-UHFFFAOYSA-N -1 0 343.404 3.947 20 0 EHADRM COc1ccc(C)nc1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000342489146 1025835772 /nfs/dbraw/zinc/83/57/72/1025835772.db2.gz JLJLCBOVCSXDPK-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM O=S(=O)([N-]c1nc(C2CC2)cs1)c1cnc2ccc(F)cc2c1 ZINC000342489637 1025840814 /nfs/dbraw/zinc/84/08/14/1025840814.db2.gz KYEYNVQIGAZHBU-UHFFFAOYSA-N -1 0 349.412 3.509 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCCC[C@H]1Cc1ccccc1 ZINC000436533121 1025842586 /nfs/dbraw/zinc/84/25/86/1025842586.db2.gz UBXKVFHOZKPPPI-HNNXBMFYSA-N -1 0 331.362 3.908 20 0 EHADRM CC(C)OCc1ccc(C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)cc1 ZINC000326874933 1025860755 /nfs/dbraw/zinc/86/07/55/1025860755.db2.gz AKIXPOHKCHDRAI-GHXNOFRVSA-N -1 0 339.391 3.962 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1ccc(Cl)c(F)c1 ZINC000191109869 1025862034 /nfs/dbraw/zinc/86/20/34/1025862034.db2.gz OVPYOKGCMJKHCD-HNNXBMFYSA-N -1 0 335.762 3.733 20 0 EHADRM Cc1cc(NC(=O)c2ccc(Cl)cc2[O-])ccc1C(=O)NC(C)C ZINC000436554267 1025862492 /nfs/dbraw/zinc/86/24/92/1025862492.db2.gz FYMDPNBJSUVBEE-UHFFFAOYSA-N -1 0 346.814 3.745 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N2CCC[C@H]2c2cccc(F)c2)CC1 ZINC000522003766 1025876099 /nfs/dbraw/zinc/87/60/99/1025876099.db2.gz LXNOAKWMHWCHHV-KVULBXGLSA-N -1 0 333.403 3.770 20 0 EHADRM CC(C)CC[C@](C)(O)CNC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000436576299 1025882542 /nfs/dbraw/zinc/88/25/42/1025882542.db2.gz QFACOFJAXRUGEI-HNNXBMFYSA-N -1 0 334.243 3.616 20 0 EHADRM O=C(N[C@H]1C[C@@H]1c1cccnc1)c1cc(Cl)c2ccccc2c1[O-] ZINC000684825913 1025898155 /nfs/dbraw/zinc/89/81/55/1025898155.db2.gz CMOJJKVRJSNUPS-PBHICJAKSA-N -1 0 338.794 3.880 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCC(=O)[C@@H](C)C2(C)C)c1 ZINC000436649872 1025974602 /nfs/dbraw/zinc/97/46/02/1025974602.db2.gz XMFSELBLNGFKDQ-YPMHNXCESA-N -1 0 331.412 3.565 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)COc2ccc(C)c(C)c2)c1 ZINC000436651298 1025977318 /nfs/dbraw/zinc/97/73/18/1025977318.db2.gz DOBRABRLKMYMRC-UHFFFAOYSA-N -1 0 327.380 3.619 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CCc2c(C)noc2Cl)c1 ZINC000436650770 1025977636 /nfs/dbraw/zinc/97/76/36/1025977636.db2.gz BXIZDVFYOCRAKX-UHFFFAOYSA-N -1 0 336.775 3.506 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCc3ccc(OC)cc32)c1 ZINC000436642924 1025988398 /nfs/dbraw/zinc/98/83/98/1025988398.db2.gz CWXHNPKPZQVLLQ-OAHLLOKOSA-N -1 0 339.391 3.662 20 0 EHADRM Cc1ncn(-c2ccc(NC(=O)c3ccc(F)cc3[O-])cc2)c1C ZINC000436641887 1025989381 /nfs/dbraw/zinc/98/93/81/1025989381.db2.gz PZHFIYZULRPOOM-UHFFFAOYSA-N -1 0 325.343 3.586 20 0 EHADRM O=C(NCc1ccc(Cl)cc1Cl)c1cc(F)c([O-])c(F)c1 ZINC000436639391 1025989556 /nfs/dbraw/zinc/98/95/56/1025989556.db2.gz OTYTVPQOCXAMDO-UHFFFAOYSA-N -1 0 332.133 3.907 20 0 EHADRM Cc1c(CNC(=O)C(C)(C)C(=O)[O-])sc2ccc(Cl)cc12 ZINC000578070015 1025993685 /nfs/dbraw/zinc/99/36/85/1025993685.db2.gz CKPNOPMYLVNKDY-UHFFFAOYSA-N -1 0 325.817 3.590 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2sc([C@H](C)OC)nc2C)c1 ZINC000436645401 1025994932 /nfs/dbraw/zinc/99/49/32/1025994932.db2.gz AQBFFGNVIIFHOP-JTQLQIEISA-N -1 0 348.424 3.710 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cc(-c3cccs3)on2)c1 ZINC000436678727 1026027352 /nfs/dbraw/zinc/02/73/52/1026027352.db2.gz HQGATKSXPLLXJT-UHFFFAOYSA-N -1 0 328.349 3.564 20 0 EHADRM O=C(NC[C@H](c1ccccc1)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000436682371 1026037188 /nfs/dbraw/zinc/03/71/88/1026037188.db2.gz VITRVLXDTKNBTG-CYBMUJFWSA-N -1 0 327.277 3.607 20 0 EHADRM Cc1oc2ccccc2c1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[nH]1 ZINC000443445139 1026051703 /nfs/dbraw/zinc/05/17/03/1026051703.db2.gz QFVHPZNOAMUBBJ-CLFYSBASSA-N -1 0 338.363 3.733 20 0 EHADRM [O-]c1cc(Br)ccc1-c1nc([C@@H]2CC2(Cl)Cl)no1 ZINC000896806613 1026053509 /nfs/dbraw/zinc/05/35/09/1026053509.db2.gz NIEVXBSWPNFREY-ZETCQYMHSA-N -1 0 349.999 3.866 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000665327946 1026055578 /nfs/dbraw/zinc/05/55/78/1026055578.db2.gz AFPWTKRJYVACEK-RISCZKNCSA-N -1 0 338.835 3.543 20 0 EHADRM O=C(NCc1ccc(OC2CCCC2)cc1)c1cc(F)c([O-])c(F)c1 ZINC000436726635 1026075241 /nfs/dbraw/zinc/07/52/41/1026075241.db2.gz WMLBPLRAVCUEKU-UHFFFAOYSA-N -1 0 347.361 3.922 20 0 EHADRM O=C(NCCc1ccccn1)c1cc(Cl)c2ccccc2c1[O-] ZINC000436746045 1026115385 /nfs/dbraw/zinc/11/53/85/1026115385.db2.gz CQQMZEKOBMLKLP-UHFFFAOYSA-N -1 0 326.783 3.566 20 0 EHADRM CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)c1ccc([O-])c(Cl)c1 ZINC000436727291 1026116702 /nfs/dbraw/zinc/11/67/02/1026116702.db2.gz YMTPFRXGTHIFCE-LSDHHAIUSA-N -1 0 325.836 3.711 20 0 EHADRM Cc1ccc(Cl)c2sc(NC(=O)C(=O)c3ccc(O)cc3)nc21 ZINC000436729943 1026120371 /nfs/dbraw/zinc/12/03/71/1026120371.db2.gz UQJGBPSBYKCSAR-UHFFFAOYSA-N -1 0 346.795 3.785 20 0 EHADRM O=C(NC[C@H]1CCO[C@H]1c1ccccc1)c1cc(F)cc(Cl)c1[O-] ZINC000436731872 1026122193 /nfs/dbraw/zinc/12/21/93/1026122193.db2.gz RBZSHGRZSOMQRT-PXAZEXFGSA-N -1 0 349.789 3.692 20 0 EHADRM Cc1nc(CCNC(=O)c2cc(Cl)c3ccccc3c2[O-])c(C)o1 ZINC000436733846 1026124890 /nfs/dbraw/zinc/12/48/90/1026124890.db2.gz YDPAYPSLDHRJTM-UHFFFAOYSA-N -1 0 344.798 3.776 20 0 EHADRM CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2[O-])cc1 ZINC000436758137 1026125698 /nfs/dbraw/zinc/12/56/98/1026125698.db2.gz LNKLGDIXSJLGQG-UHFFFAOYSA-N -1 0 330.359 3.768 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1Cl ZINC000511113301 1026132197 /nfs/dbraw/zinc/13/21/97/1026132197.db2.gz BVGRSNRAMDIWRB-UHFFFAOYSA-N -1 0 347.770 3.818 20 0 EHADRM O=C(N[C@@H](c1ccccc1)[C@@H]1CCOC1)c1ccc(Cl)cc1O ZINC000436751656 1026140188 /nfs/dbraw/zinc/14/01/88/1026140188.db2.gz UJKIZTXPRKFWMD-DYVFJYSZSA-N -1 0 331.799 3.553 20 0 EHADRM O=C(Nc1cccc(-n2cccn2)c1)c1cc(F)cc(Cl)c1[O-] ZINC000436772426 1026148150 /nfs/dbraw/zinc/14/81/50/1026148150.db2.gz LLHAISLTIYRNOC-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM COc1ccc2nc(C(=O)Nc3cc(Cl)c([O-])cc3F)ccc2c1 ZINC000436773178 1026150145 /nfs/dbraw/zinc/15/01/45/1026150145.db2.gz OHYRFMCKTRRAKS-UHFFFAOYSA-N -1 0 346.745 3.994 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1Br ZINC000128292249 1026153477 /nfs/dbraw/zinc/15/34/77/1026153477.db2.gz XRKGVDTWBPLRMT-BDAKNGLRSA-N -1 0 346.608 3.542 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000582398374 1026159934 /nfs/dbraw/zinc/15/99/34/1026159934.db2.gz GZEBZCFHXLJUPL-UHFFFAOYSA-N -1 0 333.413 3.502 20 0 EHADRM C[C@H](NC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1)[C@@H](C)c1ccccc1 ZINC000582398177 1026160843 /nfs/dbraw/zinc/16/08/43/1026160843.db2.gz BUFUUGRGYCSMJP-VKJFTORMSA-N -1 0 340.423 3.646 20 0 EHADRM COc1ccc(-c2csc([N-]S(=O)(=O)c3ccccc3)n2)cc1 ZINC000007505202 1026213990 /nfs/dbraw/zinc/21/39/90/1026213990.db2.gz SUKQFQXXAVFIMZ-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM O=C([O-])C1CCC(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000262718412 1026227630 /nfs/dbraw/zinc/22/76/30/1026227630.db2.gz ONJKPYPEWRYRJV-ZGUYJTEBSA-N -1 0 329.440 3.720 20 0 EHADRM O=C(Nc1cc(CC2CCCCC2)[nH]n1)c1cc(F)cc(F)c1[O-] ZINC001141992041 1026287544 /nfs/dbraw/zinc/28/75/44/1026287544.db2.gz ZAEUDDSKKQCFPZ-UHFFFAOYSA-N -1 0 335.354 3.769 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000324762009 1026313469 /nfs/dbraw/zinc/31/34/69/1026313469.db2.gz WJFNSNTXJZLNNI-OAHLLOKOSA-N -1 0 348.761 3.695 20 0 EHADRM CC(C)(C)c1ccc(O)c([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000324857913 1026391325 /nfs/dbraw/zinc/39/13/25/1026391325.db2.gz LUNITFJTQVFZFW-UHFFFAOYSA-N -1 0 345.464 3.979 20 0 EHADRM C[C@H]1COCC[C@H]1C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000192845102 1026398859 /nfs/dbraw/zinc/39/88/59/1026398859.db2.gz LZAXHAMBVWMKMY-NKWVEPMBSA-N -1 0 338.618 3.964 20 0 EHADRM COc1cccc(CNc2cc(C(=O)[O-])ccc2C)c1OC(F)F ZINC000324881256 1026414523 /nfs/dbraw/zinc/41/45/23/1026414523.db2.gz RJEYMTNMFWNKQM-UHFFFAOYSA-N -1 0 337.322 3.915 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)c1 ZINC000193484646 1026479015 /nfs/dbraw/zinc/47/90/15/1026479015.db2.gz XWMSZRQWVVCEQT-UHFFFAOYSA-N -1 0 336.800 3.631 20 0 EHADRM Cc1nc(S(=O)(=O)[N-]c2ccccc2Oc2ccc(C)cc2)c[nH]1 ZINC000324924908 1026499017 /nfs/dbraw/zinc/49/90/17/1026499017.db2.gz MDMHIRISFRBESV-UHFFFAOYSA-N -1 0 343.408 3.620 20 0 EHADRM CC(C)Cc1nc(=NCc2ccccc2OCC(F)(F)F)s[n-]1 ZINC000475360299 1026513611 /nfs/dbraw/zinc/51/36/11/1026513611.db2.gz HQSVVBXJTPWODM-UHFFFAOYSA-N -1 0 345.390 3.712 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2cc3cc(F)ccc3s2)cc1 ZINC000325076985 1026544197 /nfs/dbraw/zinc/54/41/97/1026544197.db2.gz XRWAJKLWDIGJOM-UHFFFAOYSA-N -1 0 345.351 3.756 20 0 EHADRM O=C(C[C@H]1CSCCS1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000159314748 1026608921 /nfs/dbraw/zinc/60/89/21/1026608921.db2.gz LURUMACCXJKNLV-QMMMGPOBSA-N -1 0 338.281 3.876 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2cc(C)cc3cccnc32)cc1 ZINC000614737214 1026646088 /nfs/dbraw/zinc/64/60/88/1026646088.db2.gz AMMZJASRFAUDHV-UHFFFAOYSA-N -1 0 326.421 3.906 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1 ZINC000006213833 1026688994 /nfs/dbraw/zinc/68/89/94/1026688994.db2.gz ORMMBQXGNFCZFN-UHFFFAOYSA-N -1 0 330.434 3.758 20 0 EHADRM CCOc1ccc(S(=O)(=O)C(C)=C([O-])c2ccc(C)c(C)c2)cc1 ZINC000487473658 1026765538 /nfs/dbraw/zinc/76/55/38/1026765538.db2.gz NBPXXUWOLRHNMX-HNNXBMFYSA-N -1 0 346.448 3.747 20 0 EHADRM O=C(N[C@H]1CC[C@@H](CO)C1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000452500864 1026795186 /nfs/dbraw/zinc/79/51/86/1026795186.db2.gz RIVOFFBTADZQEJ-DOMZBBRYSA-N -1 0 345.826 3.603 20 0 EHADRM Cc1ccc(-c2nsc([N-]C(=O)c3cnc(C4CC4)o3)n2)s1 ZINC000639660563 1026921502 /nfs/dbraw/zinc/92/15/02/1026921502.db2.gz XYGDQIULHDJCNP-UHFFFAOYSA-N -1 0 332.410 3.693 20 0 EHADRM CC[C@@H](Cc1cccc(-c2ccc(C(=O)NC)c(C)c2)c1)C(=O)[O-] ZINC000563437197 1026953483 /nfs/dbraw/zinc/95/34/83/1026953483.db2.gz GMPGNOLMAQHZNK-HNNXBMFYSA-N -1 0 325.408 3.675 20 0 EHADRM CCC1(CC)CCN(C(=O)c2cccc(Br)c2[O-])C1 ZINC000531520227 1027015538 /nfs/dbraw/zinc/01/55/38/1027015538.db2.gz RHMLOQDCGLRFFM-UHFFFAOYSA-N -1 0 326.234 3.807 20 0 EHADRM CCC(CC)(CC(=O)N[C@@H]1CCCO[C@@H]1c1ccc(C)cc1)C(=O)[O-] ZINC000074797402 1027077028 /nfs/dbraw/zinc/07/70/28/1027077028.db2.gz OMYOLMOGAMRURA-SJLPKXTDSA-N -1 0 347.455 3.612 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1Cl ZINC000027056695 1027193585 /nfs/dbraw/zinc/19/35/85/1027193585.db2.gz NUNVZCSJUGDGTA-STQMWFEESA-N -1 0 337.803 3.733 20 0 EHADRM CCCCc1n[n-]c(=NCc2cnc(-c3ccccc3F)s2)o1 ZINC000453048555 1027262068 /nfs/dbraw/zinc/26/20/68/1027262068.db2.gz UXDWHULMZAHBSU-UHFFFAOYSA-N -1 0 332.404 3.709 20 0 EHADRM CCCCOc1ccccc1CN=c1[n-]nc(C2CCOCC2)s1 ZINC000453053301 1027294779 /nfs/dbraw/zinc/29/47/79/1027294779.db2.gz SONFCPHDHHAUTL-UHFFFAOYSA-N -1 0 347.484 3.645 20 0 EHADRM Cc1cccc(CCC(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])c1 ZINC000531745377 1027297171 /nfs/dbraw/zinc/29/71/71/1027297171.db2.gz FAHCCQJFUOGURK-KRWDZBQOSA-N -1 0 339.435 3.677 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000414451677 1027472216 /nfs/dbraw/zinc/47/22/16/1027472216.db2.gz NZMGURKNRLBKFD-LBPRGKRZSA-N -1 0 329.400 3.685 20 0 EHADRM COCOc1ccccc1Nc1c(Cl)c(F)[n-]c(=O)c1Cl ZINC001211556208 1027569156 /nfs/dbraw/zinc/56/91/56/1027569156.db2.gz FIRORAHNTFRINA-UHFFFAOYSA-N -1 0 333.146 3.959 20 0 EHADRM CCc1nc([C@@H](C)N=c2[n-]nc(-c3ccc(OC)cc3)s2)cs1 ZINC000420601138 1027638976 /nfs/dbraw/zinc/63/89/76/1027638976.db2.gz MUPLXHMWDSJTLP-SNVBAGLBSA-N -1 0 346.481 3.828 20 0 EHADRM O=C([O-])C1(C(=O)NCC(c2ccccc2)c2ccccc2)CCCC1 ZINC000078413264 1027800569 /nfs/dbraw/zinc/80/05/69/1027800569.db2.gz BNNIXCOJUGICBS-UHFFFAOYSA-N -1 0 337.419 3.580 20 0 EHADRM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1 ZINC000509967465 1027811545 /nfs/dbraw/zinc/81/15/45/1027811545.db2.gz AHMXWRJBZZTHFM-VIFPVBQESA-N -1 0 347.333 3.591 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000582845315 1027992245 /nfs/dbraw/zinc/99/22/45/1027992245.db2.gz OZFGBZBMBBRJAI-BXKDBHETSA-N -1 0 331.334 3.630 20 0 EHADRM CC(C)c1ccc(S(=O)(=O)Nc2ccc3oc(=O)ccc3c2)cc1 ZINC000054294387 1028004157 /nfs/dbraw/zinc/00/41/57/1028004157.db2.gz LUMXIDZCLSZVLF-UHFFFAOYSA-N -1 0 343.404 3.717 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cccc(C)c2Cl)nn1C(C)C ZINC000421188839 1028062582 /nfs/dbraw/zinc/06/25/82/1028062582.db2.gz YTYKOSHZZLKCFO-UHFFFAOYSA-N -1 0 327.837 3.535 20 0 EHADRM COCc1ccc(CNC(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)cc1 ZINC000523297493 1028117406 /nfs/dbraw/zinc/11/74/06/1028117406.db2.gz VTZLLSFFDVVXMH-FQEVSTJZSA-N -1 0 347.455 3.511 20 0 EHADRM CC(C)n1ncc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)c1C1CC1 ZINC000431504802 1028185433 /nfs/dbraw/zinc/18/54/33/1028185433.db2.gz HBLAWGHOFWDFQB-UHFFFAOYSA-N -1 0 341.411 3.611 20 0 EHADRM C[C@H](C(=O)N1CCC[C@H](CC(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000532694188 1028200531 /nfs/dbraw/zinc/20/05/31/1028200531.db2.gz LYMYBEQAZCRVCU-WDEREUQCSA-N -1 0 344.238 3.810 20 0 EHADRM C[C@@H](C(=O)N1CCC[C@H](CC(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000532694185 1028208204 /nfs/dbraw/zinc/20/82/04/1028208204.db2.gz LYMYBEQAZCRVCU-GHMZBOCLSA-N -1 0 344.238 3.810 20 0 EHADRM CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000614852375 1028210967 /nfs/dbraw/zinc/21/09/67/1028210967.db2.gz MJXGXVCDJLEIPR-UHFFFAOYSA-N -1 0 341.379 3.863 20 0 EHADRM CC(C)c1nnc2ccc(Nc3cc(Cl)cc(C(=O)[O-])c3)cn21 ZINC001211962556 1028215510 /nfs/dbraw/zinc/21/55/10/1028215510.db2.gz HRVLGYFAUFJYCP-UHFFFAOYSA-N -1 0 330.775 3.948 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccc3c4c(cccc42)CC3)C[C@@H]1C(=O)[O-] ZINC000582905300 1028220838 /nfs/dbraw/zinc/22/08/38/1028220838.db2.gz KSCLWFSOSLGSBS-LRDDRELGSA-N -1 0 338.407 3.513 20 0 EHADRM O=S(=O)([N-]c1cccnc1-c1ccccc1)c1ccc(F)cc1F ZINC000533624407 1028220794 /nfs/dbraw/zinc/22/07/94/1028220794.db2.gz OIHWUNGSRACSSD-UHFFFAOYSA-N -1 0 346.358 3.828 20 0 EHADRM O=C([N-]c1nnc(-c2ccccc2)s1)c1c(F)ccc(F)c1F ZINC000475613760 1028281713 /nfs/dbraw/zinc/28/17/13/1028281713.db2.gz SZEABTGQVNECOD-UHFFFAOYSA-N -1 0 335.310 3.875 20 0 EHADRM O=S(=O)([N-]CCCc1ccc(Cl)cc1)c1c(F)cccc1F ZINC000504005675 1028321290 /nfs/dbraw/zinc/32/12/90/1028321290.db2.gz AYIZDOHOMYJWFT-UHFFFAOYSA-N -1 0 345.798 3.529 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1ccc(Cl)cc1Cl)CC(=O)[O-] ZINC000088272402 1028358588 /nfs/dbraw/zinc/35/85/88/1028358588.db2.gz DDMCEKAFWMRLJI-JTQLQIEISA-N -1 0 332.227 3.860 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2OCC(C)C)cc1 ZINC000614863687 1028361261 /nfs/dbraw/zinc/36/12/61/1028361261.db2.gz YKBPIRPRMNQYCT-UHFFFAOYSA-N -1 0 349.452 3.921 20 0 EHADRM COC(=O)c1cc(F)c(Nc2cc(Cl)cc(C(=O)[O-])c2)cc1F ZINC001211969340 1028405963 /nfs/dbraw/zinc/40/59/63/1028405963.db2.gz DSZNBRBUPUVMRC-UHFFFAOYSA-N -1 0 341.697 3.847 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2cc(F)ccc2OC2COC2)c1 ZINC001211969401 1028427787 /nfs/dbraw/zinc/42/77/87/1028427787.db2.gz HPJIFRXZPWMWQR-UHFFFAOYSA-N -1 0 337.734 3.699 20 0 EHADRM C[C@@H]1C[C@@H](CC(F)(F)F)[C@@H](C)N1C(=O)c1ccc(C(=O)[O-])s1 ZINC000630322736 1028436842 /nfs/dbraw/zinc/43/68/42/1028436842.db2.gz VOKAQBBZBRBRAW-HLTSFMKQSA-N -1 0 335.347 3.638 20 0 EHADRM CC1(C)C(=O)NCc2cccc(Nc3cc(Cl)cc(C(=O)[O-])c3)c21 ZINC001211969714 1028438694 /nfs/dbraw/zinc/43/86/94/1028438694.db2.gz WQYVKMUTCSZCLU-UHFFFAOYSA-N -1 0 344.798 3.689 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)Nc2cccc(COC(C)C)c2)s1 ZINC000502660353 1028504952 /nfs/dbraw/zinc/50/49/52/1028504952.db2.gz DZWQEQYZYZHFHZ-UHFFFAOYSA-N -1 0 348.472 3.728 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2O)c1 ZINC000513813598 1028554326 /nfs/dbraw/zinc/55/43/26/1028554326.db2.gz HUELRBAOVOBEPG-UHFFFAOYSA-N -1 0 348.207 3.508 20 0 EHADRM CC[C@@H](C)c1cc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])on1 ZINC000236888378 1028593345 /nfs/dbraw/zinc/59/33/45/1028593345.db2.gz WVDDLSQCUYEPOP-KGLIPLIRSA-N -1 0 344.411 3.551 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc(OC2CCCCC2)cc1 ZINC000236935364 1028604770 /nfs/dbraw/zinc/60/47/70/1028604770.db2.gz FGDWDBCKPOEVPW-AWEZNQCLSA-N -1 0 333.428 3.723 20 0 EHADRM CCc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2C)sc1C ZINC000237123046 1028641124 /nfs/dbraw/zinc/64/11/24/1028641124.db2.gz DQJNRXWBGNCQMP-OAHLLOKOSA-N -1 0 331.437 3.873 20 0 EHADRM CC(C)C[C@@H](NC(=O)CC(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000075240432 1028643460 /nfs/dbraw/zinc/64/34/60/1028643460.db2.gz GUCMRLVJGJWZGO-LJQANCHMSA-N -1 0 339.435 3.824 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@@H](C)c1ccccc1F ZINC000237439588 1028649952 /nfs/dbraw/zinc/64/99/52/1028649952.db2.gz BTKPXRWQGNZSIH-GUYCJALGSA-N -1 0 329.371 3.570 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000237406615 1028650311 /nfs/dbraw/zinc/65/03/11/1028650311.db2.gz UZXSYFUCUIPUNN-GFCCVEGCSA-N -1 0 349.789 3.842 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1ccc(Cl)cc1F ZINC000237662810 1028658298 /nfs/dbraw/zinc/65/82/98/1028658298.db2.gz SSPHGASZCORMLF-HNNXBMFYSA-N -1 0 335.762 3.733 20 0 EHADRM Cc1csc(-c2cccc(NC(=O)c3ccc(C(=O)[O-])o3)c2)n1 ZINC000237675768 1028662197 /nfs/dbraw/zinc/66/21/97/1028662197.db2.gz GAKFITSPDUWPOA-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM C[C@@H](c1cc(Cl)ccc1Cl)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000583048668 1028664812 /nfs/dbraw/zinc/66/48/12/1028664812.db2.gz ZGEOPTSXKOQVGN-VHSXEESVSA-N -1 0 341.242 3.758 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000238082966 1028677104 /nfs/dbraw/zinc/67/71/04/1028677104.db2.gz HZYCYUQXVHPCAO-VXGBXAGGSA-N -1 0 347.773 3.848 20 0 EHADRM Nc1ncc2cc(Nc3cc(Br)cc(F)c3O)ccc2n1 ZINC001213113988 1028677433 /nfs/dbraw/zinc/67/74/33/1028677433.db2.gz FHEROOOPXGKJOJ-UHFFFAOYSA-N -1 0 349.163 3.563 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)N=c2nc(C(C)(C)C)[n-]s2)cc1 ZINC000523927912 1028719330 /nfs/dbraw/zinc/71/93/30/1028719330.db2.gz UDPXXBDZICCACW-CQSZACIVSA-N -1 0 344.484 3.935 20 0 EHADRM C[C@H]1CCCc2nc(S(=O)(=O)[N-]c3ccccc3C(F)F)cn21 ZINC000424078514 1028778228 /nfs/dbraw/zinc/77/82/28/1028778228.db2.gz DROZHDZQRWWRLA-JTQLQIEISA-N -1 0 341.383 3.519 20 0 EHADRM CCC(CC)(CC(=O)N[C@H](CC(F)F)c1ccccc1)C(=O)[O-] ZINC000421799223 1028786250 /nfs/dbraw/zinc/78/62/50/1028786250.db2.gz ARBXCHICHVXJQO-CYBMUJFWSA-N -1 0 327.371 3.780 20 0 EHADRM CO[C@@H](CS(=O)(=O)[N-]c1ccccc1C(F)F)c1ccccc1 ZINC000424088276 1028792733 /nfs/dbraw/zinc/79/27/33/1028792733.db2.gz TWJLMSUSOINYMD-HNNXBMFYSA-N -1 0 341.379 3.754 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@@H](CC(F)F)c2ccccc2)CCCC1 ZINC000421808140 1028793475 /nfs/dbraw/zinc/79/34/75/1028793475.db2.gz QSYDHQMKUMJKSW-ZDUSSCGKSA-N -1 0 325.355 3.534 20 0 EHADRM CC(C)c1ccc([C@](C)(CC(=O)[O-])C(=O)NCCC(C)(F)F)cc1 ZINC000634838287 1028839592 /nfs/dbraw/zinc/83/95/92/1028839592.db2.gz DHWJSQMHWDNCFO-KRWDZBQOSA-N -1 0 341.398 3.704 20 0 EHADRM O=C([O-])c1ccc2c(c1)nc(/C=C\c1cnccn1)n2-c1ccccc1 ZINC000514691286 1028877215 /nfs/dbraw/zinc/87/72/15/1028877215.db2.gz YFKBIHBLKFGOAL-CLFYSBASSA-N -1 0 342.358 3.684 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000424251173 1028910919 /nfs/dbraw/zinc/91/09/19/1028910919.db2.gz CDUNNPXKBAELEA-OAHLLOKOSA-N -1 0 346.471 3.642 20 0 EHADRM CCC(CC)(CNC(=O)[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C)o1)C(=O)[O-] ZINC000424257040 1028915738 /nfs/dbraw/zinc/91/57/38/1028915738.db2.gz WLCLQKGXMYEISZ-XDQVBPFNSA-N -1 0 333.428 3.514 20 0 EHADRM CC(C)c1ccc(-c2noc(CN3CCC[C@H](C)[C@H]3C(=O)[O-])n2)cc1 ZINC000424257226 1028916221 /nfs/dbraw/zinc/91/62/21/1028916221.db2.gz BCCZFNWCIYSGCX-GUYCJALGSA-N -1 0 343.427 3.545 20 0 EHADRM Cc1ccc(Nc2nc(CN3CCC[C@@H](C)[C@@H]3C(=O)[O-])cs2)cc1 ZINC000424265763 1028922359 /nfs/dbraw/zinc/92/23/59/1028922359.db2.gz IIOFMKWNKZSGOK-CZUORRHYSA-N -1 0 345.468 3.880 20 0 EHADRM O=S(=O)([O-])c1cc(Cl)ccc1Nc1cccc(OC(F)F)c1 ZINC001212062674 1028995676 /nfs/dbraw/zinc/99/56/76/1028995676.db2.gz ISVGERKZUJEBES-UHFFFAOYSA-N -1 0 349.742 3.932 20 0 EHADRM C[C@H](NC(=O)NCCC(C)(C)C(=O)[O-])c1cccc2ccccc21 ZINC000424388280 1029042397 /nfs/dbraw/zinc/04/23/97/1029042397.db2.gz JVEWGWRUVAYXRK-ZDUSSCGKSA-N -1 0 328.412 3.701 20 0 EHADRM CC(C)CN(C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-])C1CC1 ZINC000532900878 1029044122 /nfs/dbraw/zinc/04/41/22/1029044122.db2.gz WBQMNBFRJQWRRD-UHFFFAOYSA-N -1 0 341.455 3.962 20 0 EHADRM CC(C)(CCNC(=O)N1CCCC[C@H]1c1ccc(F)cc1)C(=O)[O-] ZINC000424402363 1029051527 /nfs/dbraw/zinc/05/15/27/1029051527.db2.gz GUQJILZSUKBISG-HNNXBMFYSA-N -1 0 336.407 3.563 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)c2cc(Cl)cc(Cl)c2)s[n-]1 ZINC000524319295 1029082459 /nfs/dbraw/zinc/08/24/59/1029082459.db2.gz PFJAKLXLNSGDGP-UHFFFAOYSA-N -1 0 330.240 3.817 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N[C@@H](C)c2cc(C)sc2C)s1 ZINC000503147940 1029088696 /nfs/dbraw/zinc/08/86/96/1029088696.db2.gz SWLAZFKMGRYMFM-JTQLQIEISA-N -1 0 338.502 3.864 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000237380323 1029106113 /nfs/dbraw/zinc/10/61/13/1029106113.db2.gz AWBFNQFBZMIFFC-SNVBAGLBSA-N -1 0 344.238 3.785 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)NC[C@@H](CC)c2ccccc2)s1 ZINC000503171470 1029108847 /nfs/dbraw/zinc/10/88/47/1029108847.db2.gz UQCOAJLNAHZLOL-CYBMUJFWSA-N -1 0 332.473 3.618 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)NC[C@H](CC)c2ccccc2)s1 ZINC000503171471 1029108914 /nfs/dbraw/zinc/10/89/14/1029108914.db2.gz UQCOAJLNAHZLOL-ZDUSSCGKSA-N -1 0 332.473 3.618 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)CCC(C)(C)c2ccccc2)c1 ZINC000179217644 1029129913 /nfs/dbraw/zinc/12/99/13/1029129913.db2.gz KXHOOHBJBARAHM-UHFFFAOYSA-N -1 0 345.464 3.558 20 0 EHADRM Cc1ccccc1[C@@H]1CN(C(=O)c2cc(F)cc(Cl)c2[O-])CCO1 ZINC000154456510 1029178610 /nfs/dbraw/zinc/17/86/10/1029178610.db2.gz YSNJUQSZVUWNQR-INIZCTEOSA-N -1 0 349.789 3.707 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)CC3(CC(=O)[O-])CCC3)cc2)oc1C ZINC000634869941 1029184696 /nfs/dbraw/zinc/18/46/96/1029184696.db2.gz XOMMFSPFWSMWNF-UHFFFAOYSA-N -1 0 342.395 3.932 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(C(=O)N[C@H](C)CCC(=O)[O-])cc1F ZINC000237424726 1029225988 /nfs/dbraw/zinc/22/59/88/1029225988.db2.gz ASXQVRHGSVWUKP-GFCCVEGCSA-N -1 0 347.361 3.923 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)/C=C/SCc1ccco1 ZINC000271973050 1029253483 /nfs/dbraw/zinc/25/34/83/1029253483.db2.gz RVWMBQZJEYKUTC-FMIVXFBMSA-N -1 0 325.430 3.568 20 0 EHADRM C[C@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)[C@@H](c2ccco2)C1 ZINC000253550103 1029337512 /nfs/dbraw/zinc/33/75/12/1029337512.db2.gz VEXIBULKRRDSPF-WCQYABFASA-N -1 0 329.425 3.963 20 0 EHADRM CCO[C@@H](CC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)C1=CCCC1 ZINC000431526007 1029361859 /nfs/dbraw/zinc/36/18/59/1029361859.db2.gz XNGRDKNBHKQCNB-KRWDZBQOSA-N -1 0 345.439 3.893 20 0 EHADRM CC(C)c1nc(/C=C\c2ccc(-n3cccn3)cc2)ncc1C(=O)[O-] ZINC000255373826 1029367855 /nfs/dbraw/zinc/36/78/55/1029367855.db2.gz AMSWMPJBCBPZOA-TWGQIWQCSA-N -1 0 334.379 3.654 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2C)cc1N ZINC001211983295 1029387055 /nfs/dbraw/zinc/38/70/55/1029387055.db2.gz HHWYNVFHXHSPQS-UHFFFAOYSA-N -1 0 345.251 3.993 20 0 EHADRM O=C(Nc1ccc(-c2csnn2)cc1)c1cc(F)c([O-])c(Cl)c1 ZINC000446103836 1029393312 /nfs/dbraw/zinc/39/33/12/1029393312.db2.gz QVTXMVNZQYWXOP-UHFFFAOYSA-N -1 0 349.774 3.956 20 0 EHADRM CSc1ccc(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])cc1 ZINC000324106079 1029395602 /nfs/dbraw/zinc/39/56/02/1029395602.db2.gz FEVXHJOAANLXIR-HNNXBMFYSA-N -1 0 336.457 3.954 20 0 EHADRM CCCC[C@H](C)N(C)C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000615066019 1029447873 /nfs/dbraw/zinc/44/78/73/1029447873.db2.gz PHPIIWOEXMYFPT-LBPRGKRZSA-N -1 0 335.835 3.882 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2c(C)[nH]nc2C(F)F)cc1 ZINC000272443132 1029462620 /nfs/dbraw/zinc/46/26/20/1029462620.db2.gz UGCNMWDGSVPLGM-VIFPVBQESA-N -1 0 343.399 3.970 20 0 EHADRM CCc1oc(C(=O)N(Cc2ccccc2)[C@H](C)CC)cc1C(=O)[O-] ZINC000261619080 1029475060 /nfs/dbraw/zinc/47/50/60/1029475060.db2.gz HKHQRQXLSCLYKV-CYBMUJFWSA-N -1 0 329.396 3.981 20 0 EHADRM CCc1oc(C(=O)N(C)[C@H](C)Cc2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000261678503 1029480933 /nfs/dbraw/zinc/48/09/33/1029480933.db2.gz QCOYWECLQYXAJN-LLVKDONJSA-N -1 0 349.814 3.897 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H]1C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000634899288 1029504625 /nfs/dbraw/zinc/50/46/25/1029504625.db2.gz IAHMSIZCWYUQIY-ZJUUUORDSA-N -1 0 347.358 3.622 20 0 EHADRM CCc1ccc(O)c(C(=O)N2C[C@H](C)O[C@@H](c3ccsc3)C2)c1 ZINC000150868729 1029514237 /nfs/dbraw/zinc/51/42/37/1029514237.db2.gz BYNWKBQTYZHDGA-YVEFUNNKSA-N -1 0 331.437 3.618 20 0 EHADRM CCc1ccc(O)c(C(=O)N2C[C@@H](c3ccsc3)O[C@@H](C)C2)c1 ZINC000150868670 1029514414 /nfs/dbraw/zinc/51/44/14/1029514414.db2.gz BYNWKBQTYZHDGA-SJCJKPOMSA-N -1 0 331.437 3.618 20 0 EHADRM CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(C)[C@H](C)CC(=O)[O-] ZINC000583275018 1029515798 /nfs/dbraw/zinc/51/57/98/1029515798.db2.gz YBTHAYPISVWXNU-YPMHNXCESA-N -1 0 345.361 3.596 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000272671664 1029558750 /nfs/dbraw/zinc/55/87/50/1029558750.db2.gz KRHPZDQTFWJPDB-VXGBXAGGSA-N -1 0 329.318 3.902 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NCCCCc2ccc(Cl)s2)C1 ZINC000262816695 1029640008 /nfs/dbraw/zinc/64/00/08/1029640008.db2.gz DSRFGCBBXWOHKK-NWDGAFQWSA-N -1 0 343.876 3.731 20 0 EHADRM CC[C@H](C)Oc1cc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)ccn1 ZINC000262832633 1029642388 /nfs/dbraw/zinc/64/23/88/1029642388.db2.gz RDLVHKJPHPVADV-ZDUSSCGKSA-N -1 0 342.395 3.826 20 0 EHADRM CC[C@@](CNC(=O)CC(C)(C)C(F)(F)F)(C(=O)[O-])c1ccccc1 ZINC000262881707 1029647713 /nfs/dbraw/zinc/64/77/13/1029647713.db2.gz BBOPWQXAQWKQTM-INIZCTEOSA-N -1 0 345.361 3.514 20 0 EHADRM CC(C)c1ccc([C@H]2CCCCN2C(=O)CSCC(=O)[O-])cc1 ZINC000262898358 1029648623 /nfs/dbraw/zinc/64/86/23/1029648623.db2.gz HYHNQGGLXJUTER-MRXNPFEDSA-N -1 0 335.469 3.681 20 0 EHADRM COc1cc(NC(=O)[C@@]2(C)CCCc3ccccc32)ccc1C(=O)[O-] ZINC000262903141 1029650615 /nfs/dbraw/zinc/65/06/15/1029650615.db2.gz IWAVDZVPFXTBCS-FQEVSTJZSA-N -1 0 339.391 3.626 20 0 EHADRM COc1cc(NC(=O)[C@]2(C)CCCc3ccccc32)ccc1C(=O)[O-] ZINC000262903142 1029650826 /nfs/dbraw/zinc/65/08/26/1029650826.db2.gz IWAVDZVPFXTBCS-HXUWFJFHSA-N -1 0 339.391 3.626 20 0 EHADRM CCC(CC)n1ncc(C(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])c1C ZINC000262939851 1029652113 /nfs/dbraw/zinc/65/21/13/1029652113.db2.gz LHISEKRDPSKPKT-RDJZCZTQSA-N -1 0 349.475 3.706 20 0 EHADRM CSc1ccc(NC(=O)NC(C)(C)CCC(=O)[O-])cc1Cl ZINC000262986327 1029654497 /nfs/dbraw/zinc/65/44/97/1029654497.db2.gz CTPWELDFQMHGAA-UHFFFAOYSA-N -1 0 330.837 3.827 20 0 EHADRM CC(C)(C)Oc1cc(F)ccc1NC(=O)NC(C)(C)CCC(=O)[O-] ZINC000263011816 1029656379 /nfs/dbraw/zinc/65/63/79/1029656379.db2.gz HQWSTQGOJSONKJ-UHFFFAOYSA-N -1 0 340.395 3.768 20 0 EHADRM COCc1cc(NC(=O)C[C@@H](C)c2cccc(F)c2)cc(C(=O)[O-])c1 ZINC000263081859 1029664849 /nfs/dbraw/zinc/66/48/49/1029664849.db2.gz LHEHSEZJPPWMQE-GFCCVEGCSA-N -1 0 345.370 3.803 20 0 EHADRM C[C@H](CCC(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21)c1ccccc1 ZINC000263099535 1029665715 /nfs/dbraw/zinc/66/57/15/1029665715.db2.gz ISGZQYHDILEWFX-BGTYHANMSA-N -1 0 329.440 3.815 20 0 EHADRM O=C([O-])CC1CCN(C(=O)c2ccccc2CCC(F)(F)F)CC1 ZINC000263111701 1029667472 /nfs/dbraw/zinc/66/74/72/1029667472.db2.gz JRWVXTJZYPZVOJ-UHFFFAOYSA-N -1 0 343.345 3.508 20 0 EHADRM Cc1noc(C(C)C)c1NC(=O)c1ccc(Br)c([O-])c1 ZINC000928785834 1029669227 /nfs/dbraw/zinc/66/92/27/1029669227.db2.gz IEZNPTCJTLADAK-UHFFFAOYSA-N -1 0 339.189 3.827 20 0 EHADRM CCC[C@H](CNC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000263166807 1029669956 /nfs/dbraw/zinc/66/99/56/1029669956.db2.gz KFHDTBCKJRUGOI-DGCLKSJQSA-N -1 0 345.361 3.816 20 0 EHADRM CCCCOc1ccc(NC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c(C)c1 ZINC000263199053 1029672929 /nfs/dbraw/zinc/67/29/29/1029672929.db2.gz WYOKQKUPXGKQBO-HIFRSBDPSA-N -1 0 348.443 3.748 20 0 EHADRM Fc1ccc(Cc2noc(=NCc3c(F)cccc3Cl)[n-]2)cc1 ZINC000583347818 1029677138 /nfs/dbraw/zinc/67/71/38/1029677138.db2.gz IWDSEYHQBWRMFN-UHFFFAOYSA-N -1 0 335.741 3.626 20 0 EHADRM CC(C)[C@H](CC(=O)NCc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000263275811 1029682069 /nfs/dbraw/zinc/68/20/69/1029682069.db2.gz WPXKRYYUWWUZHG-HNNXBMFYSA-N -1 0 331.437 3.892 20 0 EHADRM CC[C@H](Oc1ccccc1F)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000263335603 1029689211 /nfs/dbraw/zinc/68/92/11/1029689211.db2.gz QVSWJXFHDPHMRM-WBMJQRKESA-N -1 0 345.370 3.810 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)NCc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000263354496 1029689951 /nfs/dbraw/zinc/68/99/51/1029689951.db2.gz IRMWTDRGDXLUEZ-HNNXBMFYSA-N -1 0 340.423 3.904 20 0 EHADRM COc1cccc([C@@H](C)C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c1 ZINC000263289913 1029690676 /nfs/dbraw/zinc/69/06/76/1029690676.db2.gz LYKNCCOITDUHMX-OLZOCXBDSA-N -1 0 327.380 3.626 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC[C@H](C(=O)[O-])C3)cn2)cc1 ZINC000263357768 1029690871 /nfs/dbraw/zinc/69/08/71/1029690871.db2.gz XMLCVHGZOBWMGP-KGLIPLIRSA-N -1 0 340.379 3.622 20 0 EHADRM Cc1sc(C(=O)N[C@H](C)[C@H](C)C(=O)[O-])cc1-c1ccc(F)cc1 ZINC000263391989 1029693495 /nfs/dbraw/zinc/69/34/95/1029693495.db2.gz CYZYCDRFHJVAAN-VHSXEESVSA-N -1 0 335.400 3.702 20 0 EHADRM CC(C)N(CC1CCC1)C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263441085 1029697556 /nfs/dbraw/zinc/69/75/56/1029697556.db2.gz DLZXQDBTRIVMJY-SFHVURJKSA-N -1 0 346.471 3.683 20 0 EHADRM O=C([O-])[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2)C[C@H]1C(F)(F)F ZINC000263484253 1029704163 /nfs/dbraw/zinc/70/41/63/1029704163.db2.gz GZHVFPZJNHJHMU-GHMZBOCLSA-N -1 0 342.144 3.688 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)c2ccc3c(c2)CCC=C3)sc1C(=O)[O-] ZINC000263520101 1029707520 /nfs/dbraw/zinc/70/75/20/1029707520.db2.gz GTPLGBNRUBROOB-LLVKDONJSA-N -1 0 342.420 3.600 20 0 EHADRM CCc1ccc([C@H]2CCCCN2C(=O)Cc2ccccc2C(=O)[O-])o1 ZINC000263524064 1029708084 /nfs/dbraw/zinc/70/80/84/1029708084.db2.gz IUSIMGUCXWDDDN-QGZVFWFLSA-N -1 0 341.407 3.837 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)CCCOc2ccc(F)cc2)c1 ZINC000262282591 1029740751 /nfs/dbraw/zinc/74/07/51/1029740751.db2.gz UTAMKVACSHDRJY-UHFFFAOYSA-N -1 0 345.370 3.641 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccc3c(c2)C[C@H](C)O3)c1 ZINC000615108266 1029741115 /nfs/dbraw/zinc/74/11/15/1029741115.db2.gz MEBJJMIVYMLEEJ-NSHDSACASA-N -1 0 325.364 3.561 20 0 EHADRM CC(C)(C)c1n[n-]c(=N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)s1 ZINC000544413814 1029746172 /nfs/dbraw/zinc/74/61/72/1029746172.db2.gz MEIYHPGCNWKHDA-ZIAGYGMSSA-N -1 0 335.448 3.729 20 0 EHADRM CC1(C)CCC(CC(=O)N=c2nc(-c3cccnc3)[n-]s2)CC1 ZINC000533733276 1029760618 /nfs/dbraw/zinc/76/06/18/1029760618.db2.gz XPDAUVAVYIBFQQ-UHFFFAOYSA-N -1 0 330.457 3.567 20 0 EHADRM CCSCc1cccc(NC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000600964644 1029783275 /nfs/dbraw/zinc/78/32/75/1029783275.db2.gz RXGHZKJHICVXMN-WFASDCNBSA-N -1 0 336.457 3.514 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)nnc1C ZINC000446819206 1029800976 /nfs/dbraw/zinc/80/09/76/1029800976.db2.gz WFOKRRNBTBOOIY-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM Cc1ccc(-c2n[n-]c(=NCc3ccccc3OCC3CC3)o2)s1 ZINC000446965133 1029868390 /nfs/dbraw/zinc/86/83/90/1029868390.db2.gz IDPPDDMJSVLYHU-UHFFFAOYSA-N -1 0 341.436 3.929 20 0 EHADRM Cc1ccc(CN=c2[n-]nc([C@H]3CCCc4ccccc43)s2)cn1 ZINC000583477544 1029883116 /nfs/dbraw/zinc/88/31/16/1029883116.db2.gz XUVMVFKXOQFWIQ-KRWDZBQOSA-N -1 0 336.464 3.744 20 0 EHADRM Cn1cc(C(=O)Nc2cccc(Cl)c2[O-])c(-c2ccccc2)n1 ZINC000089343887 1029890587 /nfs/dbraw/zinc/89/05/87/1029890587.db2.gz WPABGVCSAMDFSE-UHFFFAOYSA-N -1 0 327.771 3.698 20 0 EHADRM Cc1ccccc1C[C@@H](C)N(C)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000447070624 1029920063 /nfs/dbraw/zinc/92/00/63/1029920063.db2.gz TZYZJUJLBSYWOA-LLVKDONJSA-N -1 0 337.341 3.821 20 0 EHADRM O=C(NCCOc1ccccc1Cl)c1ccc([O-])c(Cl)c1 ZINC000120337527 1029965806 /nfs/dbraw/zinc/96/58/06/1029965806.db2.gz RFOVRAFMDWOANH-UHFFFAOYSA-N -1 0 326.179 3.508 20 0 EHADRM COc1ccc(C[C@@H](C)C(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC000262333418 1029970852 /nfs/dbraw/zinc/97/08/52/1029970852.db2.gz BJWCOZACXAMGTA-CQSZACIVSA-N -1 0 341.407 3.530 20 0 EHADRM Cc1c(C(=O)[O-])sc2ncnc(N3CCc4sccc4[C@H]3C)c12 ZINC000322051725 1030019257 /nfs/dbraw/zinc/01/92/57/1030019257.db2.gz XFNSYTWEYSOGJH-SECBINFHSA-N -1 0 345.449 3.883 20 0 EHADRM O=S(=O)([N-]c1ncc(-c2ccccc2)cn1)c1cccc(Cl)c1 ZINC000481862242 1030053489 /nfs/dbraw/zinc/05/34/89/1030053489.db2.gz BACHORTXSQDPDU-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM Cc1ccc(OC(F)F)c(CN=c2[n-]nc(-c3ccccc3)o2)c1 ZINC000508591683 1030069675 /nfs/dbraw/zinc/06/96/75/1030069675.db2.gz XWAUBVWUZKMBCC-UHFFFAOYSA-N -1 0 331.322 3.680 20 0 EHADRM COc1cc(OC)cc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000317868600 1030082220 /nfs/dbraw/zinc/08/22/20/1030082220.db2.gz WPNHBQZGXBDAIV-UHFFFAOYSA-N -1 0 342.178 3.969 20 0 EHADRM CCN(C(=O)N=c1[n-]nc(-c2ccc(OC)cc2)s1)[C@H](C)C(C)C ZINC000481956919 1030132456 /nfs/dbraw/zinc/13/24/56/1030132456.db2.gz MUWMIFHZPGQJHP-GFCCVEGCSA-N -1 0 348.472 3.534 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N3CCCCCC3)s2)c1 ZINC000481959917 1030133299 /nfs/dbraw/zinc/13/32/99/1030133299.db2.gz WYLSYTDIQGQDOW-UHFFFAOYSA-N -1 0 330.457 3.652 20 0 EHADRM Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000361323434 1030134496 /nfs/dbraw/zinc/13/44/96/1030134496.db2.gz FZCVXGVKPQPEOR-SSDOTTSWSA-N -1 0 342.226 3.792 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2cc(C)c(F)cc2Cl)C1 ZINC000323630096 1030136286 /nfs/dbraw/zinc/13/62/86/1030136286.db2.gz PFCNIVJTDYQYJO-MRXNPFEDSA-N -1 0 342.798 3.896 20 0 EHADRM CCCCS(=O)(=O)[N-]C(=O)c1cc(C)n(Cc2ccccc2)c1C ZINC000042343742 1030258507 /nfs/dbraw/zinc/25/85/07/1030258507.db2.gz ILHGWLGINJJUBQ-UHFFFAOYSA-N -1 0 348.468 3.588 20 0 EHADRM Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000159594962 1030276180 /nfs/dbraw/zinc/27/61/80/1030276180.db2.gz ZKJPYOHINNSWQJ-MRVPVSSYSA-N -1 0 331.397 3.854 20 0 EHADRM Cc1ccc([C@]2(C)CCN(C(=O)c3cc(F)c(F)c([O-])c3F)C2)cc1 ZINC000447688115 1030424327 /nfs/dbraw/zinc/42/43/27/1030424327.db2.gz FRBBXVRZOPNNLJ-LJQANCHMSA-N -1 0 349.352 3.922 20 0 EHADRM CCn1cnnc1-c1cccc(NC(=O)c2ccc(Cl)cc2[O-])c1 ZINC000121953030 1030441495 /nfs/dbraw/zinc/44/14/95/1030441495.db2.gz BHQOAAHASAIEOW-UHFFFAOYSA-N -1 0 342.786 3.576 20 0 EHADRM Cc1ccc(Nc2ncc(Br)nc2Cl)cc1C(=O)[O-] ZINC001211594204 1030486825 /nfs/dbraw/zinc/48/68/25/1030486825.db2.gz OWZLWBWBRBJFSJ-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])NC(=O)C[C@H](C)C2CCCCC2)c1 ZINC000532260451 1030509603 /nfs/dbraw/zinc/50/96/03/1030509603.db2.gz KVPVBLZVYYLPTQ-KBXCAEBGSA-N -1 0 347.455 3.934 20 0 EHADRM O=C([O-])[C@@H](CC(F)F)NC(=O)Nc1cccc(-c2cccs2)c1 ZINC000583712012 1030522833 /nfs/dbraw/zinc/52/28/33/1030522833.db2.gz BCUMVKMPKJAISL-LLVKDONJSA-N -1 0 340.351 3.645 20 0 EHADRM O=C([O-])CC1(NC(=O)CCc2cc3ccccc3o2)CCCCC1 ZINC000532255927 1030523258 /nfs/dbraw/zinc/52/32/58/1030523258.db2.gz XTDCTWXLJTWAJB-UHFFFAOYSA-N -1 0 329.396 3.659 20 0 EHADRM CC(C)C[C@@H](CNC(=O)C[C@@H](C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000431536912 1030525383 /nfs/dbraw/zinc/52/53/83/1030525383.db2.gz MWDAEFMSRVINSZ-ZFWWWQNUSA-N -1 0 339.863 3.772 20 0 EHADRM CCCC[C@H](CC)C(=O)N(CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000447897741 1030577375 /nfs/dbraw/zinc/57/73/75/1030577375.db2.gz OVTJQLLDRUYIEQ-ZDUSSCGKSA-N -1 0 327.371 3.594 20 0 EHADRM CCSc1n[n-]c(=NCc2cc(F)ccc2Br)s1 ZINC000447950288 1030599089 /nfs/dbraw/zinc/59/90/89/1030599089.db2.gz HHRQBTLPJHKCTQ-UHFFFAOYSA-N -1 0 348.266 3.586 20 0 EHADRM O=C(Nc1cccc(-n2ccnc2)c1)c1cc(F)c([O-])c(Cl)c1 ZINC000194454757 1030622877 /nfs/dbraw/zinc/62/28/77/1030622877.db2.gz RWIAGTNZWGRSSQ-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM CCSc1n[n-]c(=NCc2ccc(Br)cc2F)s1 ZINC000447955784 1030625091 /nfs/dbraw/zinc/62/50/91/1030625091.db2.gz ROHIQLILTGIIEA-UHFFFAOYSA-N -1 0 348.266 3.586 20 0 EHADRM CCSc1n[n-]c(=NCc2cc(C)ccc2OC(F)F)s1 ZINC000447957508 1030631007 /nfs/dbraw/zinc/63/10/07/1030631007.db2.gz ZCPIKEFRQLFCKP-UHFFFAOYSA-N -1 0 331.413 3.594 20 0 EHADRM CC1(C)CCCN(C(=O)N=c2[n-]nc(/C=C/c3ccco3)s2)CC1 ZINC000343388216 1030633951 /nfs/dbraw/zinc/63/39/51/1030633951.db2.gz KASVPHUZTZFNJM-VOTSOKGWSA-N -1 0 346.456 3.767 20 0 EHADRM CC(C)(C)c1cc(N2CCC(CC(F)(F)F)CC2)nc(C(=O)[O-])n1 ZINC000583755163 1030642999 /nfs/dbraw/zinc/64/29/99/1030642999.db2.gz GIRDYQIGKQILFH-UHFFFAOYSA-N -1 0 345.365 3.641 20 0 EHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000194212409 1030689254 /nfs/dbraw/zinc/68/92/54/1030689254.db2.gz QCFYNAWIYIDKLO-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000194213616 1030693906 /nfs/dbraw/zinc/69/39/06/1030693906.db2.gz WRKKLZOUVHLDTE-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM O=C([O-])CCCCCN1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000568068095 1030718242 /nfs/dbraw/zinc/71/82/42/1030718242.db2.gz CXELQUHHBWCJQQ-OAHLLOKOSA-N -1 0 345.361 3.724 20 0 EHADRM CC(C)CN(CCc1ccccc1)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000448147589 1030751084 /nfs/dbraw/zinc/75/10/84/1030751084.db2.gz MVQHJWXFCPJGDF-UHFFFAOYSA-N -1 0 338.455 3.509 20 0 EHADRM CC(=O)c1nc(N2CCC(c3ccccc3C(=O)[O-])CC2)sc1C ZINC000668167608 1030823977 /nfs/dbraw/zinc/82/39/77/1030823977.db2.gz IAZRQQHDDUZAHI-UHFFFAOYSA-N -1 0 344.436 3.736 20 0 EHADRM CC(C)c1nsc(N2CCC(c3ccccc3C(=O)[O-])CC2)n1 ZINC000668168559 1030832051 /nfs/dbraw/zinc/83/20/51/1030832051.db2.gz FHBYNRGFNVKEMY-UHFFFAOYSA-N -1 0 331.441 3.744 20 0 EHADRM CCOC(=O)c1ncc(Cl)cc1Nc1ccc(C)c(C(=O)[O-])c1 ZINC001211599668 1030864734 /nfs/dbraw/zinc/86/47/34/1030864734.db2.gz SPBUTPUWDCJZES-UHFFFAOYSA-N -1 0 334.759 3.662 20 0 EHADRM O=S(=O)([O-])c1ccc(Cl)c(Nc2ccc(-c3ncc[nH]3)cc2)c1 ZINC001213090833 1030915072 /nfs/dbraw/zinc/91/50/72/1030915072.db2.gz IJSITDCKSHYSFZ-UHFFFAOYSA-N -1 0 349.799 3.720 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1 ZINC000262828049 1030927634 /nfs/dbraw/zinc/92/76/34/1030927634.db2.gz FOZGYBDGLZYALO-IRXDYDNUSA-N -1 0 343.810 3.589 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)N[C@@]3(C)CCCC[C@@H]3C(=O)[O-])c2c1 ZINC000262844190 1030932944 /nfs/dbraw/zinc/93/29/44/1030932944.db2.gz SOEWNVQSOZXVAD-UZLBHIALSA-N -1 0 342.439 3.559 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1Cc1cc(Br)c(Cl)s1 ZINC000227976211 1030933137 /nfs/dbraw/zinc/93/31/37/1030933137.db2.gz CGZRKFGUWUCYEK-VIFPVBQESA-N -1 0 338.654 3.603 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)N1CCC[C@H]1C1CCCC1 ZINC000448356213 1030977910 /nfs/dbraw/zinc/97/79/10/1030977910.db2.gz ROPALWMIEUZIHC-SFHVURJKSA-N -1 0 336.439 3.752 20 0 EHADRM CC(C)N(Cc1ccco1)C(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000448363832 1030991408 /nfs/dbraw/zinc/99/14/08/1030991408.db2.gz DEKOTCJBSSPNBH-UHFFFAOYSA-N -1 0 336.395 3.601 20 0 EHADRM COc1cccc(-c2nc(=NC(=O)c3occc3C(C)C)s[n-]2)c1 ZINC000551127681 1031054053 /nfs/dbraw/zinc/05/40/53/1031054053.db2.gz BUYHHDVLZIQLRV-UHFFFAOYSA-N -1 0 343.408 3.604 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)on2)cc1C(F)(F)F ZINC000476920587 1031083728 /nfs/dbraw/zinc/08/37/28/1031083728.db2.gz WAPIBUBCHAEPQY-UHFFFAOYSA-N -1 0 348.346 3.926 20 0 EHADRM CCCOC1(CNC(=O)c2ccc([O-])c(Cl)c2)CCCCC1 ZINC000483315778 1031107594 /nfs/dbraw/zinc/10/75/94/1031107594.db2.gz KZQVODSZCIYSST-UHFFFAOYSA-N -1 0 325.836 3.905 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)CC2CCSCC2)CC1 ZINC000648442902 1031154824 /nfs/dbraw/zinc/15/48/24/1031154824.db2.gz PHDMSZGGQSOXQS-UHFFFAOYSA-N -1 0 347.480 3.624 20 0 EHADRM CCc1ccc([C@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2OC)cc1 ZINC000455888096 1031160944 /nfs/dbraw/zinc/16/09/44/1031160944.db2.gz ZOFAALHXXGPSBQ-LBPRGKRZSA-N -1 0 327.380 3.698 20 0 EHADRM O=C(Nc1cc(Cl)cc(Br)c1[O-])[C@H]1CC12CCC2 ZINC000760130674 1031201291 /nfs/dbraw/zinc/20/12/91/1031201291.db2.gz ATRHWAFIYRPMNI-MRVPVSSYSA-N -1 0 330.609 3.937 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)[C@H](C)Cc1cccc(Cl)c1 ZINC000262913988 1031289454 /nfs/dbraw/zinc/28/94/54/1031289454.db2.gz IYILKKXHKIKJDB-PXAZEXFGSA-N -1 0 325.836 3.524 20 0 EHADRM COc1ccc(OC(F)F)c(CNc2ccc(C)c(C(=O)[O-])c2)c1 ZINC000551421120 1031313479 /nfs/dbraw/zinc/31/34/79/1031313479.db2.gz XUCQBQJGXCQVEF-UHFFFAOYSA-N -1 0 337.322 3.915 20 0 EHADRM Cc1nc([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)oc1C ZINC000278545875 1031326762 /nfs/dbraw/zinc/32/67/62/1031326762.db2.gz YHLXLAWLLSETFF-UHFFFAOYSA-N -1 0 335.212 3.540 20 0 EHADRM O=C(c1cc(Cl)ccc1O)N1CCC(OCC2CCCC2)CC1 ZINC000175611561 1031353649 /nfs/dbraw/zinc/35/36/49/1031353649.db2.gz ASLAXIZABPFLPS-UHFFFAOYSA-N -1 0 337.847 3.857 20 0 EHADRM Cc1ccc(Nc2cccc(C(=O)NCC(C)C)c2)cc1C(=O)[O-] ZINC001211605984 1031365999 /nfs/dbraw/zinc/36/59/99/1031365999.db2.gz FCZHGELBMFSGOZ-UHFFFAOYSA-N -1 0 326.396 3.823 20 0 EHADRM O=C(N[C@H]1CCCN(c2ccccc2)C1)c1cc(F)c([O-])c(Cl)c1 ZINC000194714979 1031393127 /nfs/dbraw/zinc/39/31/27/1031393127.db2.gz VHSZGSHUZQCPIB-ZDUSSCGKSA-N -1 0 348.805 3.584 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)C(C)(C)c1ccc(-c2ccccc2)cc1 ZINC000668287080 1031394787 /nfs/dbraw/zinc/39/47/87/1031394787.db2.gz WQHYIYXAWYTFOH-CABCVRRESA-N -1 0 339.435 3.857 20 0 EHADRM Cc1ccc(N(C)c2cc(Br)ccc2N)cc1C(=O)[O-] ZINC001211606386 1031396152 /nfs/dbraw/zinc/39/61/52/1031396152.db2.gz OLDGISTWAOVPHV-UHFFFAOYSA-N -1 0 335.201 3.806 20 0 EHADRM COC(=O)c1cc(Cl)cc(Nc2ccc(C)c(C(=O)[O-])c2)c1O ZINC001211606730 1031405237 /nfs/dbraw/zinc/40/52/37/1031405237.db2.gz XXZSGGZZPGZNFX-UHFFFAOYSA-N -1 0 335.743 3.582 20 0 EHADRM CCN(C(=O)N=c1[n-]nc(/C=C\c2ccco2)s1)C1CCCCC1 ZINC000484011248 1031424576 /nfs/dbraw/zinc/42/45/76/1031424576.db2.gz ODYZLWWHEDXJTE-KHPPLWFESA-N -1 0 346.456 3.910 20 0 EHADRM O=C([N-]OCC(F)F)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC000760155743 1031425924 /nfs/dbraw/zinc/42/59/24/1031425924.db2.gz HVIHBILYQUWJLN-HNNXBMFYSA-N -1 0 341.741 3.773 20 0 EHADRM COC[C@H](N=c1nc(-c2ccccc2C)[n-]s1)c1ccc(C)o1 ZINC000527910701 1031440645 /nfs/dbraw/zinc/44/06/45/1031440645.db2.gz GMIQYVVOVSICJY-AWEZNQCLSA-N -1 0 329.425 3.636 20 0 EHADRM C[C@@H](CNC(=O)c1cc(F)c([O-])c(Cl)c1)Oc1ccc(F)cc1 ZINC000194767206 1031484460 /nfs/dbraw/zinc/48/44/60/1031484460.db2.gz IFWLZCVAXXDWGF-VIFPVBQESA-N -1 0 341.741 3.521 20 0 EHADRM CN(C(=O)CC1CCC(C(=O)[O-])CC1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000668324267 1031488944 /nfs/dbraw/zinc/48/89/44/1031488944.db2.gz PKVPYBYPWNEEHF-LLZFXZEUSA-N -1 0 349.393 3.847 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)c2cc3ccncc3s2)s1 ZINC000448759706 1031608985 /nfs/dbraw/zinc/60/89/85/1031608985.db2.gz JTUCGUUCANNGPR-UHFFFAOYSA-N -1 0 332.454 3.555 20 0 EHADRM C[C@H]1COCC[C@H]1c1noc(-c2cc(Cl)cc(Cl)c2[O-])n1 ZINC000904069455 1031721530 /nfs/dbraw/zinc/72/15/30/1031721530.db2.gz ORDVAGXOCAODGP-IONNQARKSA-N -1 0 329.183 3.889 20 0 EHADRM CN1CCc2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3[O-])cc21 ZINC000477622309 1031730035 /nfs/dbraw/zinc/73/00/35/1031730035.db2.gz PULRZGKHLJSVLH-UHFFFAOYSA-N -1 0 337.206 3.944 20 0 EHADRM O=C([O-])N[C@H]1C[C@@H](Nc2ccc(OCC(F)(F)F)cc2)C12CCC2 ZINC000904195185 1031842874 /nfs/dbraw/zinc/84/28/74/1031842874.db2.gz QZRHRTBCCDDFTM-OLZOCXBDSA-N -1 0 344.333 3.618 20 0 EHADRM Cc1cc(N2CCCC2)ccc1N[C@@H]1C[C@@H](NC(=O)[O-])C12CCC2 ZINC000904195467 1031843983 /nfs/dbraw/zinc/84/39/83/1031843983.db2.gz OQQOMNPUQWEAAU-IAGOWNOFSA-N -1 0 329.444 3.586 20 0 EHADRM Cc1coc(-c2cc(N[C@H]3C[C@H](NC(=O)[O-])C34CCC4)ccc2C)n1 ZINC000904199455 1031844610 /nfs/dbraw/zinc/84/46/10/1031844610.db2.gz KEOXXPUQWYPPCG-HOTGVXAUSA-N -1 0 341.411 3.949 20 0 EHADRM O=C([O-])N[C@@H]1C[C@H](Nc2ccc(F)cc2OCC2CC2)C12CCC2 ZINC000904199348 1031846311 /nfs/dbraw/zinc/84/63/11/1031846311.db2.gz PJDDCLJUHOKPFI-JKSUJKDBSA-N -1 0 334.391 3.605 20 0 EHADRM O=C([O-])N[C@H]1C[C@@H](Nc2ccccc2OCC(F)(F)F)C12CCC2 ZINC000904200106 1031848099 /nfs/dbraw/zinc/84/80/99/1031848099.db2.gz RARQLJXEKCGOIF-OLZOCXBDSA-N -1 0 344.333 3.618 20 0 EHADRM O=C([O-])N[C@@H]1C[C@H](Nc2cnn(-c3ccccc3Cl)c2)C12CCC2 ZINC000904225982 1031862115 /nfs/dbraw/zinc/86/21/15/1031862115.db2.gz OEJKLWDPFJBTPO-LSDHHAIUSA-N -1 0 346.818 3.516 20 0 EHADRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ncccc1-c1ccccc1 ZINC000537746174 1031869145 /nfs/dbraw/zinc/86/91/45/1031869145.db2.gz DAQBJWDBPKHYDL-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM CC(C)c1ccsc1C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000448992776 1032000153 /nfs/dbraw/zinc/00/01/53/1032000153.db2.gz LPKZVSHBVKREBT-CVEARBPZSA-N -1 0 343.448 3.812 20 0 EHADRM Cc1ccc2nc(C)c(C(=O)N[C@H]3CCCCC[C@H]3C(=O)[O-])cc2c1 ZINC000448994689 1032003752 /nfs/dbraw/zinc/00/37/52/1032003752.db2.gz PBBKQJPIMRICEO-QAPCUYQASA-N -1 0 340.423 3.615 20 0 EHADRM O=C(Nc1nc(-c2cccc(O)c2)cs1)c1c([O-])cccc1F ZINC000163854470 1032006954 /nfs/dbraw/zinc/00/69/54/1032006954.db2.gz FLMGONOTTRIDGC-UHFFFAOYSA-N -1 0 330.340 3.613 20 0 EHADRM COc1ccc2c(c1)CCC[C@H]2CC(=O)N[C@@](C)(CC(=O)[O-])C(C)C ZINC000448999950 1032007535 /nfs/dbraw/zinc/00/75/35/1032007535.db2.gz XOGKNJVPYCXMOW-YWZLYKJASA-N -1 0 347.455 3.511 20 0 EHADRM Cc1ccc(-c2nc(C(=O)N3CCC[C@@]3(C)C(=O)[O-])cs2)c(C)c1 ZINC000449002277 1032009770 /nfs/dbraw/zinc/00/97/70/1032009770.db2.gz MICBQIONXAKDDX-SFHVURJKSA-N -1 0 344.436 3.506 20 0 EHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)Cc1cc(Cl)ccc1Cl ZINC000448987618 1032018667 /nfs/dbraw/zinc/01/86/67/1032018667.db2.gz BUMJNGVXHYJBOM-OAHLLOKOSA-N -1 0 332.227 3.542 20 0 EHADRM CC(C)Cc1noc(-c2ccc(C(=O)OCc3ccccc3)[nH]2)n1 ZINC000904413173 1032022755 /nfs/dbraw/zinc/02/27/55/1032022755.db2.gz KZIMXYFZUDCPGN-UHFFFAOYSA-N -1 0 325.368 3.620 20 0 EHADRM C[C@@H](NC(=O)C(C)(C)C(=O)[O-])c1ccc(Oc2ccccc2)cc1 ZINC000574574040 1033301133 /nfs/dbraw/zinc/30/11/33/1033301133.db2.gz AACAUXLRZSXDAU-CYBMUJFWSA-N -1 0 327.380 3.767 20 0 EHADRM CC(C)CC(CC(C)C)C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC001125737601 1033338362 /nfs/dbraw/zinc/33/83/62/1033338362.db2.gz YKHOZQSQWRIRHY-UHFFFAOYSA-N -1 0 331.416 3.677 20 0 EHADRM CCSCc1ccc(C(=O)N2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)cc1 ZINC000598662064 1033360774 /nfs/dbraw/zinc/36/07/74/1033360774.db2.gz NZAAVINLMVYPAC-LPHOPBHVSA-N -1 0 347.480 3.657 20 0 EHADRM Cc1nc(=N[C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)s[n-]1 ZINC000608079136 1033462311 /nfs/dbraw/zinc/46/23/11/1033462311.db2.gz VRAFHWYOBMJQSH-JIGDXULJSA-N -1 0 333.301 3.590 20 0 EHADRM Cc1nc(=NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)s[n-]1 ZINC000608079137 1033462898 /nfs/dbraw/zinc/46/28/98/1033462898.db2.gz VRAFHWYOBMJQSH-RNFRBKRXSA-N -1 0 333.301 3.590 20 0 EHADRM O=S(=O)([N-]c1ccc2n[nH]cc2c1)c1cccc(Cl)c1Cl ZINC000007050449 1033482010 /nfs/dbraw/zinc/48/20/10/1033482010.db2.gz LSOFBKIMHSGDNY-UHFFFAOYSA-N -1 0 342.207 3.671 20 0 EHADRM O=C(Nc1nc2c(s1)CCCC2)c1ccc2[n-]c(=S)oc2c1 ZINC000173711720 1033496452 /nfs/dbraw/zinc/49/64/52/1033496452.db2.gz RUSBTNWAHXIJDS-UHFFFAOYSA-N -1 0 331.422 3.704 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)N2CCC(C3CCCC3)CC2)s1 ZINC000608288967 1033590256 /nfs/dbraw/zinc/59/02/56/1033590256.db2.gz JFMRBGQCBKAFJZ-UHFFFAOYSA-N -1 0 336.505 3.692 20 0 EHADRM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)/C=C/c1ccccc1)c1ccccc1 ZINC000173892742 1033600520 /nfs/dbraw/zinc/60/05/20/1033600520.db2.gz RWAYKNUBZOJQDR-KAUXGEHWSA-N -1 0 343.448 3.543 20 0 EHADRM CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1ccc(C)s1 ZINC000107035553 1033639636 /nfs/dbraw/zinc/63/96/36/1033639636.db2.gz KJJDPXZSTYDIAJ-UHFFFAOYSA-N -1 0 335.454 3.617 20 0 EHADRM CN(C(=O)C[C@](C)(C(=O)[O-])c1ccccc1)[C@H]1CCc2ccccc21 ZINC000326670416 1033663937 /nfs/dbraw/zinc/66/39/37/1033663937.db2.gz JBTGSHLISYEXJS-RXVVDRJESA-N -1 0 337.419 3.565 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1n[nH]c2c1CCCCC2 ZINC000476375011 1033677261 /nfs/dbraw/zinc/67/72/61/1033677261.db2.gz GTDNKFCXDNFQSC-UHFFFAOYSA-N -1 0 340.210 3.943 20 0 EHADRM O=C(Nc1n[nH]c(C(F)(F)F)n1)c1cc2c(s1)CCCCCC2 ZINC000045946937 1033696965 /nfs/dbraw/zinc/69/69/65/1033696965.db2.gz JAKFPTRWJWDNDE-UHFFFAOYSA-N -1 0 344.362 3.796 20 0 EHADRM CCCCn1ccnc1-c1cccc(NC(=O)[C@H](C(=O)[O-])C(C)C)c1 ZINC000574992813 1033753671 /nfs/dbraw/zinc/75/36/71/1033753671.db2.gz YNHQOVJYJRKQQV-MRXNPFEDSA-N -1 0 343.427 3.646 20 0 EHADRM O=S(=O)(Cc1cccc(Cl)c1)[N-][C@@H](c1ccccc1)C(F)F ZINC000431625795 1033775116 /nfs/dbraw/zinc/77/51/16/1033775116.db2.gz QFEGXNZUZAACEL-AWEZNQCLSA-N -1 0 345.798 3.766 20 0 EHADRM CCN(C(=O)Nc1ccc(SC(F)F)cc1)C(C)(C)C(=O)[O-] ZINC000900314482 1033806091 /nfs/dbraw/zinc/80/60/91/1033806091.db2.gz CBCWPYMEVBSNLQ-UHFFFAOYSA-N -1 0 332.372 3.718 20 0 EHADRM C[C@@H](N=c1[n-]c(-c2ccccc2)no1)c1cccc(-n2cccn2)c1 ZINC000608755519 1033866108 /nfs/dbraw/zinc/86/61/08/1033866108.db2.gz RCNKPWGSRDDXCC-CQSZACIVSA-N -1 0 331.379 3.517 20 0 EHADRM CCSc1cccc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000603719833 1033879027 /nfs/dbraw/zinc/87/90/27/1033879027.db2.gz CXYXXAXZMBNRMP-MRXNPFEDSA-N -1 0 329.421 3.996 20 0 EHADRM O=C([O-])c1ccc(O)c(-c2ccc(OC[C@H]3CCCCO3)cc2)c1 ZINC000575196262 1033887711 /nfs/dbraw/zinc/88/77/11/1033887711.db2.gz HKEIHJVNYVGUMF-MRXNPFEDSA-N -1 0 328.364 3.705 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)c2ccccc2n1 ZINC000255640975 1033926418 /nfs/dbraw/zinc/92/64/18/1033926418.db2.gz WLZCCHWMERXLKT-FLIBITNWSA-N -1 0 332.359 3.893 20 0 EHADRM CC(C)(C)CCCCC(=O)N[C@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1 ZINC000913559727 1034005584 /nfs/dbraw/zinc/00/55/84/1034005584.db2.gz OJISZSYLGXXTFZ-OAHLLOKOSA-N -1 0 344.459 3.517 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000065763516 1034009111 /nfs/dbraw/zinc/00/91/11/1034009111.db2.gz OVLGLXLDRAKNMA-UHFFFAOYSA-N -1 0 347.367 3.882 20 0 EHADRM CC(C)c1n[n-]c(=N[C@H](COCc2ccccc2)c2ccccc2)o1 ZINC000450344489 1034150174 /nfs/dbraw/zinc/15/01/74/1034150174.db2.gz BSIMZXBMLSFPOH-GOSISDBHSA-N -1 0 337.423 3.985 20 0 EHADRM CCCCC(=O)N=c1ccc(-c2ccc(Br)s2)n[n-]1 ZINC000484580177 1034246467 /nfs/dbraw/zinc/24/64/67/1034246467.db2.gz AIHNXFABRHCOAD-UHFFFAOYSA-N -1 0 340.246 3.518 20 0 EHADRM CC(=O)c1[n-]c(=N[C@@H]2CCCc3cn(C4CCCC4)nc32)sc1C ZINC000450434449 1034324647 /nfs/dbraw/zinc/32/46/47/1034324647.db2.gz MYNOLRJZDCDTBI-OAHLLOKOSA-N -1 0 344.484 3.877 20 0 EHADRM O=C(CC(c1ccccc1)c1ccccc1)N=c1ccc(C2CC2)n[n-]1 ZINC000604708904 1034461911 /nfs/dbraw/zinc/46/19/11/1034461911.db2.gz RWGZBJUJJRJWDI-UHFFFAOYSA-N -1 0 343.430 3.937 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000450532382 1034465995 /nfs/dbraw/zinc/46/59/95/1034465995.db2.gz OSTGMJHURVXYIT-DDBAPUKQSA-N -1 0 329.440 3.672 20 0 EHADRM Cc1c(C)c(C)c(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c(C)c1C ZINC000450541848 1034494019 /nfs/dbraw/zinc/49/40/19/1034494019.db2.gz RSFOAGJELPXJOA-QAQDUYKDSA-N -1 0 331.456 3.736 20 0 EHADRM CC(C)c1n[n-]c(=N[C@H](C)c2ccc(F)c(Br)c2)o1 ZINC000450544162 1034502312 /nfs/dbraw/zinc/50/23/12/1034502312.db2.gz MVBYRGFCRVBTKQ-MRVPVSSYSA-N -1 0 328.185 3.690 20 0 EHADRM C[C@@H](CSc1n[n-]c(=NCC(F)(F)F)s1)c1ccccc1 ZINC000604839805 1034521072 /nfs/dbraw/zinc/52/10/72/1034521072.db2.gz QWSINODRDUVEMI-VIFPVBQESA-N -1 0 333.404 3.830 20 0 EHADRM CC(C)COc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cn1 ZINC000604856661 1034528357 /nfs/dbraw/zinc/52/83/57/1034528357.db2.gz VSYBDARXARGLJO-UHFFFAOYSA-N -1 0 340.832 3.571 20 0 EHADRM O=C(N=c1[n-]nc(C2CC2)s1)c1ccc(OC2CCCCC2)cc1 ZINC000605078322 1034620221 /nfs/dbraw/zinc/62/02/21/1034620221.db2.gz YPRQFUDWFTZWQN-UHFFFAOYSA-N -1 0 343.452 3.801 20 0 EHADRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2C)o1 ZINC000060497341 1034627317 /nfs/dbraw/zinc/62/73/17/1034627317.db2.gz WLLNQDMSSLEIQA-UHFFFAOYSA-N -1 0 335.425 3.887 20 0 EHADRM O=S(=O)([N-]c1nc2ccsc2s1)c1cccc(Cl)c1 ZINC000605257848 1034672104 /nfs/dbraw/zinc/67/21/04/1034672104.db2.gz YWDDANNYSKADRJ-UHFFFAOYSA-N -1 0 330.843 3.812 20 0 EHADRM Cc1nc(C(C)C)oc1CSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000450789742 1034788926 /nfs/dbraw/zinc/78/89/26/1034788926.db2.gz JJIZQSBARFJFLX-UHFFFAOYSA-N -1 0 349.456 3.776 20 0 EHADRM CSCCc1ccccc1[N-]S(=O)(=O)c1cc(C)oc1C ZINC000601979049 1034845287 /nfs/dbraw/zinc/84/52/87/1034845287.db2.gz BSYWUMSYBDMTPP-UHFFFAOYSA-N -1 0 325.455 3.603 20 0 EHADRM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc(SC)cn1 ZINC000606146423 1034873744 /nfs/dbraw/zinc/87/37/44/1034873744.db2.gz ZQQHRNWYWRODKF-UHFFFAOYSA-N -1 0 336.482 3.729 20 0 EHADRM CCn1cc([C@H](C)N=c2[n-]nc(-c3ccccc3Cl)s2)cn1 ZINC000450871568 1034888818 /nfs/dbraw/zinc/88/88/18/1034888818.db2.gz HBSGAVUVJUIHNG-JTQLQIEISA-N -1 0 333.848 3.670 20 0 EHADRM CC(C)Oc1ccc(NC(=O)C2(C(=O)[O-])CCCC2)cc1Cl ZINC000569930075 1034895019 /nfs/dbraw/zinc/89/50/19/1034895019.db2.gz BQDXIJZYMCQMAI-UHFFFAOYSA-N -1 0 325.792 3.711 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(CC(C)C)[nH]n2)c(Cl)cc1F ZINC000472428293 1034898784 /nfs/dbraw/zinc/89/87/84/1034898784.db2.gz FACOFUZDYQCAAU-UHFFFAOYSA-N -1 0 345.827 3.510 20 0 EHADRM O=S(=O)([N-]c1ccc(OC2CCC2)c(F)c1)c1sccc1F ZINC000451014176 1035031952 /nfs/dbraw/zinc/03/19/52/1035031952.db2.gz CEBPRGNKSWXGEX-UHFFFAOYSA-N -1 0 345.392 3.758 20 0 EHADRM COCCOCc1cccc(-c2cccc([C@@H]3C[C@H]3C(=O)[O-])c2)c1 ZINC000570107771 1035056750 /nfs/dbraw/zinc/05/67/50/1035056750.db2.gz OGOPWNRVKRXIFV-RBUKOAKNSA-N -1 0 326.392 3.705 20 0 EHADRM CCCCS(=O)(=O)[N-]C(=O)c1cc(Cl)ccc1OC(C)C ZINC000066003103 1035103418 /nfs/dbraw/zinc/10/34/18/1035103418.db2.gz TWZDCJWMGISLJW-UHFFFAOYSA-N -1 0 333.837 3.562 20 0 EHADRM COc1ccccc1[C@H](CN=c1[n-]nc(C(C)C)s1)OC(C)C ZINC000472454250 1035136831 /nfs/dbraw/zinc/13/68/31/1035136831.db2.gz IELMROQFXJOECX-HNNXBMFYSA-N -1 0 335.473 3.670 20 0 EHADRM CSc1ccc(CN=c2[n-]c(Cc3ccc(F)cc3)no2)cc1 ZINC000570434492 1035259118 /nfs/dbraw/zinc/25/91/18/1035259118.db2.gz WVHQQQMGBRDYSO-UHFFFAOYSA-N -1 0 329.400 3.555 20 0 EHADRM O=S(=O)([N-]c1ccnn1C1CCCC1)c1ccc(F)c(Cl)c1 ZINC000066248786 1035326995 /nfs/dbraw/zinc/32/69/95/1035326995.db2.gz HEWXRZWWQPTAOR-UHFFFAOYSA-N -1 0 343.811 3.592 20 0 EHADRM Cc1cscc1[N-]S(=O)(=O)c1sccc1Br ZINC000161651099 1035344003 /nfs/dbraw/zinc/34/40/03/1035344003.db2.gz XZZBHJDHUZALLU-UHFFFAOYSA-N -1 0 338.273 3.681 20 0 EHADRM CC(C)(NC(=O)N=c1ccc(-c2ccccc2)n[n-]1)c1cccs1 ZINC000448366246 1035406838 /nfs/dbraw/zinc/40/68/38/1035406838.db2.gz LKHRCNDIRUSPHM-UHFFFAOYSA-N -1 0 338.436 3.684 20 0 EHADRM CO[C@H](C)c1nc(=Nc2ccc3c(c2)nc(C(C)(C)C)n3C)s[n-]1 ZINC000548999784 1035423295 /nfs/dbraw/zinc/42/32/95/1035423295.db2.gz AKNMWUSGUPOJIG-SNVBAGLBSA-N -1 0 345.472 3.595 20 0 EHADRM CC(C)Oc1cccc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000414101226 1035500648 /nfs/dbraw/zinc/50/06/48/1035500648.db2.gz WCTXHFQCPCMSGO-HXUWFJFHSA-N -1 0 341.407 3.845 20 0 EHADRM CCN(c1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1)C(C)C ZINC000030630114 1035529388 /nfs/dbraw/zinc/52/93/88/1035529388.db2.gz LNUALGJDEKEMBR-UHFFFAOYSA-N -1 0 343.383 3.787 20 0 EHADRM COCC[C@H](Cc1cccc(-c2ccc3ncn(C)c3c2)c1)C(=O)[O-] ZINC000571581614 1035544179 /nfs/dbraw/zinc/54/41/79/1035544179.db2.gz HFYVHLLWYGCICO-QGZVFWFLSA-N -1 0 338.407 3.520 20 0 EHADRM COc1cccc([C@H]2C[C@H](N(C)C(=O)c3c([O-])cccc3F)C2)c1 ZINC000456922408 1035546690 /nfs/dbraw/zinc/54/66/90/1035546690.db2.gz MGSYQHXOZQBRRO-HDJSIYSDSA-N -1 0 329.371 3.558 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)N[C@H](CC(=O)[O-])C2CCCCC2)cc1 ZINC000540716048 1035602215 /nfs/dbraw/zinc/60/22/15/1035602215.db2.gz YTZTWMDSGWPMPV-KBXCAEBGSA-N -1 0 347.455 3.729 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N(C)[C@@H](C)c1ccccc1Cl)C(=O)[O-] ZINC000321296015 1035620934 /nfs/dbraw/zinc/62/09/34/1035620934.db2.gz BCMBONVPFXIPAA-STQMWFEESA-N -1 0 340.851 3.789 20 0 EHADRM C[C@H](CCOc1ccccc1)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000540776080 1035670315 /nfs/dbraw/zinc/67/03/15/1035670315.db2.gz ADPRJTQQPAYZNZ-MRXNPFEDSA-N -1 0 347.455 3.633 20 0 EHADRM C[C@@H](C(=O)NCC1(CC(=O)[O-])CCCCC1)c1cccc(Cl)c1 ZINC000540775999 1035670620 /nfs/dbraw/zinc/67/06/20/1035670620.db2.gz XELMSZYCHKBIBY-CYBMUJFWSA-N -1 0 337.847 3.985 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000540775103 1035671300 /nfs/dbraw/zinc/67/13/00/1035671300.db2.gz HIVGFYYOTLGRTJ-UHFFFAOYSA-N -1 0 331.456 3.797 20 0 EHADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)Nc2c(C)cccc2C)cc1 ZINC000237637791 1035688107 /nfs/dbraw/zinc/68/81/07/1035688107.db2.gz YGXNVVVILFOUOQ-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM FC(F)(F)COc1cccc(CN=c2[n-]c(-c3ccccc3)no2)c1 ZINC000588160905 1035732337 /nfs/dbraw/zinc/73/23/37/1035732337.db2.gz PCKNFUWALNPXNA-UHFFFAOYSA-N -1 0 349.312 3.712 20 0 EHADRM CCc1nc(=N[C@@H](C)c2ccc(Oc3cccnc3)cc2)s[n-]1 ZINC000571953149 1035847742 /nfs/dbraw/zinc/84/77/42/1035847742.db2.gz MMEIXIQDFVWWLP-LBPRGKRZSA-N -1 0 326.425 3.883 20 0 EHADRM O=C(/C=C\c1ccncn1)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000492487363 1035887461 /nfs/dbraw/zinc/88/74/61/1035887461.db2.gz HSNZLMZIYVPZBA-UPHRSURJSA-N -1 0 344.585 3.794 20 0 EHADRM Cc1ccc(/C=C\C(=O)Nc2cc(Br)ccc2O)nc1 ZINC000492503181 1035913976 /nfs/dbraw/zinc/91/39/76/1035913976.db2.gz MMZLZGRTNTWJPW-ALCCZGGFSA-N -1 0 333.185 3.510 20 0 EHADRM Cc1nc(CC(C)C)sc1C(=O)Nc1ccc(F)c(F)c1[O-] ZINC000457285018 1035915594 /nfs/dbraw/zinc/91/55/94/1035915594.db2.gz CEGNQUHVXSULMT-UHFFFAOYSA-N -1 0 326.368 3.886 20 0 EHADRM C[C@H](CC(=O)N(C)[C@H](C)CC(=O)[O-])c1ccccc1C(F)(F)F ZINC000572017197 1035949162 /nfs/dbraw/zinc/94/91/62/1035949162.db2.gz XGNHLZGDXKUQDS-GHMZBOCLSA-N -1 0 331.334 3.521 20 0 EHADRM CCCC[C@H](NC(=O)N[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000572029203 1035952250 /nfs/dbraw/zinc/95/22/50/1035952250.db2.gz MYDWZNRLZKRUTC-MFKMUULPSA-N -1 0 346.349 3.709 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1cnc(-c2ccccc2)s1 ZINC000535067234 1035986234 /nfs/dbraw/zinc/98/62/34/1035986234.db2.gz NCSAQUKXVPXNIY-UHFFFAOYSA-N -1 0 336.463 3.981 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)s2)cc1 ZINC000535067098 1035987522 /nfs/dbraw/zinc/98/75/22/1035987522.db2.gz DECSPCXMLJHLSP-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM C[C@H](c1ccccc1Cl)[NH+]1CCC(n2cc(C(=O)[O-])cn2)CC1 ZINC000572127590 1036006356 /nfs/dbraw/zinc/00/63/56/1036006356.db2.gz KMQDJSCYQDKVIX-GFCCVEGCSA-N -1 0 333.819 3.633 20 0 EHADRM CC(C)c1csc([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)n1 ZINC000178179984 1036053916 /nfs/dbraw/zinc/05/39/16/1036053916.db2.gz ZKKSHCNKYOOWJS-BQYQJAHWSA-N -1 0 326.418 3.818 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(C)c(C)c2)nn1[C@@H](C)C1CC1 ZINC000541306306 1036178860 /nfs/dbraw/zinc/17/88/60/1036178860.db2.gz KUSCGYOJPHEAAG-AWEZNQCLSA-N -1 0 333.457 3.580 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)c(F)c1 ZINC000174971459 1036187814 /nfs/dbraw/zinc/18/78/14/1036187814.db2.gz LCHRFQVNCIPQES-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM Cc1cccc2sc([N-]S(=O)(=O)Cc3cccc(F)c3)nc21 ZINC000174975156 1036190435 /nfs/dbraw/zinc/19/04/35/1036190435.db2.gz SGDZVMDEWNABGH-UHFFFAOYSA-N -1 0 336.413 3.686 20 0 EHADRM C[C@@H](NC(=O)c1c([O-])cc(Cl)cc1Cl)c1cccc(O)c1 ZINC000175214637 1036258277 /nfs/dbraw/zinc/25/82/77/1036258277.db2.gz QMRCAXKWPJSZIT-MRVPVSSYSA-N -1 0 326.179 3.896 20 0 EHADRM Cc1nc(C)c(C(=O)Nc2nc(Sc3ccc(C)cc3)ns2)o1 ZINC000175256821 1036274368 /nfs/dbraw/zinc/27/43/68/1036274368.db2.gz VBZUYZNMTPDQJR-UHFFFAOYSA-N -1 0 346.437 3.855 20 0 EHADRM Cc1ccc(-c2ccc(C)c(NC(=O)N3CC[C@@](C)(C(=O)[O-])C3)c2)o1 ZINC000263131945 1036289347 /nfs/dbraw/zinc/28/93/47/1036289347.db2.gz YJLUHTPRKTXCLB-LJQANCHMSA-N -1 0 342.395 3.892 20 0 EHADRM COC(=O)c1ccc(/C=C\C(=O)Nc2cc(Cl)c([O-])cc2F)cc1 ZINC000492803333 1036299678 /nfs/dbraw/zinc/29/96/78/1036299678.db2.gz VFPJNZLNBWRVSU-DAXSKMNVSA-N -1 0 349.745 3.623 20 0 EHADRM Cc1nn(C)c2sc(C(=O)Nc3c(F)cc(F)cc3F)cc12 ZINC000175302465 1036316454 /nfs/dbraw/zinc/31/64/54/1036316454.db2.gz CLCZQHXRHQHTOS-UHFFFAOYSA-N -1 0 325.315 3.613 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccnn2[C@@H](C)CC(C)C)cc1F ZINC000589270380 1036333904 /nfs/dbraw/zinc/33/39/04/1036333904.db2.gz VZPWFNGPKVQYHX-ZDUSSCGKSA-N -1 0 339.436 3.739 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccnn2[C@H](C)CC(C)C)cc1C ZINC000589271529 1036335699 /nfs/dbraw/zinc/33/56/99/1036335699.db2.gz SZGPHISRLVPEON-OAHLLOKOSA-N -1 0 335.473 3.908 20 0 EHADRM O=C([O-])[C@@H](CC(=O)Nc1ccc(-c2ccccn2)cc1)c1ccccc1 ZINC000685896734 1036337303 /nfs/dbraw/zinc/33/73/03/1036337303.db2.gz DHJCKXMIWIDGCI-SFHVURJKSA-N -1 0 346.386 3.946 20 0 EHADRM O=C(CCCc1ccccc1Cl)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000464331701 1036354277 /nfs/dbraw/zinc/35/42/77/1036354277.db2.gz WSZVEJMBPNTTRX-UHFFFAOYSA-N -1 0 343.736 3.532 20 0 EHADRM COc1ccc([C@@H]2CCCN2C(=O)CC2(C(=O)[O-])CCCCC2)cc1 ZINC000327341639 1036354396 /nfs/dbraw/zinc/35/43/96/1036354396.db2.gz BNIFVOXMDOFBTH-KRWDZBQOSA-N -1 0 345.439 3.784 20 0 EHADRM C[C@H](CO)CCCN=c1[n-]nc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000535359364 1036390017 /nfs/dbraw/zinc/39/00/17/1036390017.db2.gz UWHQLMDDKAWACM-VIFPVBQESA-N -1 0 346.283 3.754 20 0 EHADRM O=C([O-])[C@]1(C(F)(F)F)CCN(Cc2cccc(Cl)c2Cl)C1 ZINC000086764172 1036418145 /nfs/dbraw/zinc/41/81/45/1036418145.db2.gz UUMXBJSDMMYHJF-LBPRGKRZSA-N -1 0 342.144 3.832 20 0 EHADRM C[C@@H]1Oc2ccccc2[C@H]1NC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1 ZINC000572641581 1036443130 /nfs/dbraw/zinc/44/31/30/1036443130.db2.gz OGQRPWLUJQGVRZ-GMVOTWDCSA-N -1 0 345.439 3.686 20 0 EHADRM CC[C@](CNC(=O)c1c(C)cc(F)cc1C)(C(=O)[O-])c1ccccc1 ZINC000572663880 1036451937 /nfs/dbraw/zinc/45/19/37/1036451937.db2.gz ZLOMBHMMXHDGMQ-HXUWFJFHSA-N -1 0 343.398 3.605 20 0 EHADRM C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cn1 ZINC000572811642 1036504436 /nfs/dbraw/zinc/50/44/36/1036504436.db2.gz NOEPLHPCBJCNHD-LBPRGKRZSA-N -1 0 331.441 3.532 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)C(F)(F)F ZINC000541673402 1036550360 /nfs/dbraw/zinc/55/03/60/1036550360.db2.gz UYNPFIATSWMFKT-LLVKDONJSA-N -1 0 329.240 3.516 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000263163424 1036560460 /nfs/dbraw/zinc/56/04/60/1036560460.db2.gz ZXPAGMLTWSVHQT-LQWHRVPQSA-N -1 0 339.435 3.949 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(Cl)cc2)[nH]nc1-c1ccccc1 ZINC000535513364 1036575146 /nfs/dbraw/zinc/57/51/46/1036575146.db2.gz IEYBYCXGOZLCQV-UHFFFAOYSA-N -1 0 347.827 3.839 20 0 EHADRM CCC[C@@H]1CCCCN1C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000541704711 1036584029 /nfs/dbraw/zinc/58/40/29/1036584029.db2.gz MIOWULHPBPPAJY-CQSZACIVSA-N -1 0 330.457 3.814 20 0 EHADRM CCC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1C)c1ccccc1 ZINC000013311792 1036601383 /nfs/dbraw/zinc/60/13/83/1036601383.db2.gz SCTMOWIBVASGPG-INIZCTEOSA-N -1 0 347.436 3.513 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2ccc3cccc(Br)c3n2)C1 ZINC000263169889 1036603436 /nfs/dbraw/zinc/60/34/36/1036603436.db2.gz JFNYZHNZLXWEIG-PWSUYJOCSA-N -1 0 349.228 3.544 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263169532 1036603669 /nfs/dbraw/zinc/60/36/69/1036603669.db2.gz RVOKGNGXDIQAJR-ZJUUUORDSA-N -1 0 342.848 3.636 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1)C(=O)[O-] ZINC000263185960 1036613972 /nfs/dbraw/zinc/61/39/72/1036613972.db2.gz WSGPKHGBAYFMEN-PJSAGSTRSA-N -1 0 341.382 3.831 20 0 EHADRM CC[C@@H](C)CC(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000263197654 1036618093 /nfs/dbraw/zinc/61/80/93/1036618093.db2.gz UMOYUWFUFTWGCW-MFKMUULPSA-N -1 0 342.233 3.517 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C(c2ccccc2)c2ccccc2)C1 ZINC000263207117 1036629216 /nfs/dbraw/zinc/62/92/16/1036629216.db2.gz KWQFKSRNOWEGPK-NRFANRHFSA-N -1 0 337.419 3.532 20 0 EHADRM C[C@H](c1cccs1)N(C)C(=O)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000319868424 1036644319 /nfs/dbraw/zinc/64/43/19/1036644319.db2.gz SSEPIYTYEUJRMF-ACJLOTCBSA-N -1 0 331.437 3.700 20 0 EHADRM Cn1cnc(/C=C(/CC(=O)[O-])c2nc3cc(Cl)ccc3s2)c1 ZINC000669819025 1036650528 /nfs/dbraw/zinc/65/05/28/1036650528.db2.gz NAKQNQOGSAESAH-WTKPLQERSA-N -1 0 333.800 3.699 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2ccc(C3CCC3)cc2)Cc2ccccc21 ZINC000263236009 1036665475 /nfs/dbraw/zinc/66/54/75/1036665475.db2.gz CVYQXTAMRBNFRK-IBGZPJMESA-N -1 0 335.403 3.778 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CCC(=O)N=c2nc(C(C)(C)C)[n-]s2)o1 ZINC000589937340 1036667134 /nfs/dbraw/zinc/66/71/34/1036667134.db2.gz LCMOLNFDHQFQPF-JQWIXIFHSA-N -1 0 333.457 3.545 20 0 EHADRM Cc1occc1-c1n[n-]c(=NCc2ccc3c(c2)CCC(C)(C)O3)o1 ZINC000541824859 1036679376 /nfs/dbraw/zinc/67/93/76/1036679376.db2.gz RKNNBCHYURLSMY-UHFFFAOYSA-N -1 0 339.395 3.776 20 0 EHADRM CC(C)[C@@H]1CC[C@H](NC(=O)C(=O)[O-])[C@@H](Cc2ccc(Cl)cc2)C1 ZINC000462274555 1036756889 /nfs/dbraw/zinc/75/68/89/1036756889.db2.gz DVTIFHYXGJZVKF-YCPHGPKFSA-N -1 0 337.847 3.524 20 0 EHADRM CC(C)(CNC(=O)CC(C)(C)C(=O)[O-])Cc1cccc(Cl)c1 ZINC000263298459 1036760941 /nfs/dbraw/zinc/76/09/41/1036760941.db2.gz MZDAORGEYJCFDC-UHFFFAOYSA-N -1 0 325.836 3.526 20 0 EHADRM Cc1ccc(C)c(OCC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c1 ZINC000263330223 1036792282 /nfs/dbraw/zinc/79/22/82/1036792282.db2.gz PTNDMEAWLWZCCY-CQSZACIVSA-N -1 0 327.380 3.509 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)C2(Cc3ccccc3F)CC2)c1 ZINC000263355830 1036804967 /nfs/dbraw/zinc/80/49/67/1036804967.db2.gz WXXFYZWSUGTAHP-CYBMUJFWSA-N -1 0 341.382 3.975 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(c2ccc3c(Cl)ccc(Cl)c3n2)C1 ZINC000263383800 1036842770 /nfs/dbraw/zinc/84/27/70/1036842770.db2.gz DFJBOBLCPIVWNG-OAHLLOKOSA-N -1 0 325.195 3.843 20 0 EHADRM C[C@@H]1CC[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)O1 ZINC000263406782 1036871128 /nfs/dbraw/zinc/87/11/28/1036871128.db2.gz KWXNMAIYKGTQSM-PVAVHDDUSA-N -1 0 339.476 3.654 20 0 EHADRM CC[C@](CNC(=O)c1cccc(C2CC2)c1)(C(=O)[O-])c1ccccc1 ZINC000572985742 1036917115 /nfs/dbraw/zinc/91/71/15/1036917115.db2.gz NXVYTMQIEQZJFL-OAQYLSRUSA-N -1 0 337.419 3.726 20 0 EHADRM C[C@H]1CC[C@]2(CCN(C(=O)N=c3[n-]nc(-c4ccsc4)s3)C2)C1 ZINC000541972619 1036923389 /nfs/dbraw/zinc/92/33/89/1036923389.db2.gz NICKFYVSUSCOBF-ZBEGNZNMSA-N -1 0 348.497 3.733 20 0 EHADRM Cc1cc(Cl)c2ccccc2c1[N-]S(=O)(=O)c1cccnc1 ZINC000462411226 1036940977 /nfs/dbraw/zinc/94/09/77/1036940977.db2.gz QJERJPJMVFIGCO-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN1C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000263459879 1036949761 /nfs/dbraw/zinc/94/97/61/1036949761.db2.gz PTIGRIQHBZZZIJ-HWWQOWPSSA-N -1 0 342.222 3.563 20 0 EHADRM FC(F)(F)Cc1n[n-]c(=NCc2cccc(Cl)c2Cl)s1 ZINC000539598626 1036953040 /nfs/dbraw/zinc/95/30/40/1036953040.db2.gz PIZMXOVOYCPNDY-UHFFFAOYSA-N -1 0 342.173 3.984 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C1CCCCC1 ZINC000539603538 1036967262 /nfs/dbraw/zinc/96/72/62/1036967262.db2.gz FIKYPIPPHHBWCU-YOEHRIQHSA-N -1 0 349.496 3.848 20 0 EHADRM Cc1cc(Br)c(S(=O)(=O)NCCC(C)(C)C)s1 ZINC000462439305 1036967502 /nfs/dbraw/zinc/96/75/02/1036967502.db2.gz XMOZAGGIKRQCAI-UHFFFAOYSA-N -1 0 340.308 3.534 20 0 EHADRM CCCn1ccc2cc(NC(=O)[C@]3(C(=O)[O-])CC=CCC3)ccc21 ZINC000653282090 1036975867 /nfs/dbraw/zinc/97/58/67/1036975867.db2.gz LMCLDRMFSNPLET-IBGZPJMESA-N -1 0 326.396 3.801 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)c(C)s1 ZINC000032532052 1037019248 /nfs/dbraw/zinc/01/92/48/1037019248.db2.gz PYJQMDCQPPUEKT-UHFFFAOYSA-N -1 0 346.817 3.727 20 0 EHADRM COc1cc(CNc2cccc(CCC(=O)[O-])c2)cc(Cl)c1OC ZINC000263521054 1037036616 /nfs/dbraw/zinc/03/66/16/1037036616.db2.gz RAJGRXAXMQBAIC-UHFFFAOYSA-N -1 0 349.814 3.987 20 0 EHADRM CCCC[C@H](C)C(=O)Nc1cccc(-n2ncc(C(=O)[O-])c2C)c1 ZINC000263541118 1037114383 /nfs/dbraw/zinc/11/43/83/1037114383.db2.gz QVYCLHBIGMSYNN-LBPRGKRZSA-N -1 0 329.400 3.644 20 0 EHADRM O=C([O-])c1coc(C(=O)N2CCC[C@@H](CCCc3ccccc3)C2)c1 ZINC000263578458 1037157989 /nfs/dbraw/zinc/15/79/89/1037157989.db2.gz SSAHWZWXJLTFMY-MRXNPFEDSA-N -1 0 341.407 3.853 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000089287244 1037209904 /nfs/dbraw/zinc/20/99/04/1037209904.db2.gz RXPWGNPZMBZNAN-MNOVXSKESA-N -1 0 334.224 3.569 20 0 EHADRM CC1CCN(C(=O)c2cc(Cl)cc(Br)c2[O-])CC1 ZINC000176938993 1037270707 /nfs/dbraw/zinc/27/07/07/1037270707.db2.gz BAIZBJZUYPNWEH-UHFFFAOYSA-N -1 0 332.625 3.680 20 0 EHADRM COCc1cccc(S(=O)(=O)Nc2ccc(C)cc2SC)c1 ZINC000414396429 1037326344 /nfs/dbraw/zinc/32/63/44/1037326344.db2.gz OXMKYZXIJOKRPB-UHFFFAOYSA-N -1 0 337.466 3.664 20 0 EHADRM Cc1ccoc1CC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000659128972 1037327767 /nfs/dbraw/zinc/32/77/67/1037327767.db2.gz XPUVVWKIIOXUHI-INIZCTEOSA-N -1 0 343.423 3.760 20 0 EHADRM CC(C)C[C@H](C(=O)NCC(C)(C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000659135497 1037345119 /nfs/dbraw/zinc/34/51/19/1037345119.db2.gz FYXAZDGOKMRARJ-AWEZNQCLSA-N -1 0 325.836 3.697 20 0 EHADRM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC000659139576 1037355668 /nfs/dbraw/zinc/35/56/68/1037355668.db2.gz FAIKUCLNMBOREJ-ZFWWWQNUSA-N -1 0 345.414 3.565 20 0 EHADRM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC000659139570 1037355780 /nfs/dbraw/zinc/35/57/80/1037355780.db2.gz FAIKUCLNMBOREJ-HIFRSBDPSA-N -1 0 345.414 3.565 20 0 EHADRM CCS[C@H]1CCCCN(C(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000177159931 1037404586 /nfs/dbraw/zinc/40/45/86/1037404586.db2.gz GYLQUEXOYAFFJQ-NSHDSACASA-N -1 0 331.840 3.933 20 0 EHADRM CC[C@@H](Cc1ccc(F)cc1)NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000659167907 1037405156 /nfs/dbraw/zinc/40/51/56/1037405156.db2.gz RICBMUVJWMQWBP-SFHVURJKSA-N -1 0 343.398 3.594 20 0 EHADRM CC[C@@H](CNC(=O)c1cc2cc(C(F)(F)F)ccc2s1)C(=O)[O-] ZINC000659162953 1037407409 /nfs/dbraw/zinc/40/74/09/1037407409.db2.gz FDVBUMUGGLELFV-QMMMGPOBSA-N -1 0 345.342 3.761 20 0 EHADRM O=C(C=Cc1c[nH]cn1)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000493530855 1037429013 /nfs/dbraw/zinc/42/90/13/1037429013.db2.gz SNAJWTBMPZZADB-UPHRSURJSA-N -1 0 332.574 3.727 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2cc(Cl)ccc2C)n1 ZINC000659182683 1037433579 /nfs/dbraw/zinc/43/35/79/1037433579.db2.gz LNZIYVZSQXRSAK-ZDUSSCGKSA-N -1 0 335.791 3.523 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2cccc(C(C)C)c2)n1 ZINC000659183549 1037435966 /nfs/dbraw/zinc/43/59/66/1037435966.db2.gz AZPTUPMSISCHPG-HNNXBMFYSA-N -1 0 329.400 3.685 20 0 EHADRM O=C([O-])c1ccc2c(c1)[C@H](CNC(=O)c1c(F)cccc1F)CCC2 ZINC000659184477 1037437321 /nfs/dbraw/zinc/43/73/21/1037437321.db2.gz LRSVECCDDZMDIV-ZDUSSCGKSA-N -1 0 345.345 3.513 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3cccc(F)c3o2)[C@@H]2CCCC[C@H]12 ZINC000659190574 1037442999 /nfs/dbraw/zinc/44/29/99/1037442999.db2.gz BVUHOVJSRMHVAU-UMVBOHGHSA-N -1 0 345.370 3.677 20 0 EHADRM O=C([O-])C1(C(=O)NCc2ccc(Cl)c(Cl)c2)CC2(CCC2)C1 ZINC000659198400 1037471938 /nfs/dbraw/zinc/47/19/38/1037471938.db2.gz LHPRZXVSNWNTHS-UHFFFAOYSA-N -1 0 342.222 3.645 20 0 EHADRM CC(C)c1cccc(OCC(=O)[N-]S(=O)(=O)C2CCCCC2)c1 ZINC000058076900 1037484459 /nfs/dbraw/zinc/48/44/59/1037484459.db2.gz MEQWEGPKPBZDKG-UHFFFAOYSA-N -1 0 339.457 3.808 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cnn([C@H](C)C3CC3)c2)c1Cl ZINC000187726674 1037496653 /nfs/dbraw/zinc/49/66/53/1037496653.db2.gz KRGGDEXJJNKURO-LLVKDONJSA-N -1 0 339.848 3.617 20 0 EHADRM Cc1cccc(N(C)C(=O)c2cc(Br)cc(C(=O)[O-])c2)c1 ZINC000462889559 1037497877 /nfs/dbraw/zinc/49/78/77/1037497877.db2.gz TXZTVGLNJGXUHD-UHFFFAOYSA-N -1 0 348.196 3.732 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)N[C@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000659237126 1037550195 /nfs/dbraw/zinc/55/01/95/1037550195.db2.gz AFDVLEHCGBLNDB-XJKSGUPXSA-N -1 0 341.860 3.825 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CO[C@H]2CCCC[C@H]2CC)c1 ZINC000462925112 1037551951 /nfs/dbraw/zinc/55/19/51/1037551951.db2.gz NMXJFVAEPHJLIR-ACJLOTCBSA-N -1 0 333.428 3.909 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)N[C@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000659240157 1037560777 /nfs/dbraw/zinc/56/07/77/1037560777.db2.gz QFXGIXQQOBVPOA-KBXCAEBGSA-N -1 0 337.847 3.668 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N2CCC[C@@H]2c2ccsc2)cc1 ZINC000493713151 1037573374 /nfs/dbraw/zinc/57/33/74/1037573374.db2.gz XGBSSTMUNVLKLP-KQQSKNTNSA-N -1 0 327.405 3.823 20 0 EHADRM O=C([O-])C1CCN(C(=O)c2ccc(-c3cccc4c3CCC4)cc2)CC1 ZINC000573700036 1037725935 /nfs/dbraw/zinc/72/59/35/1037725935.db2.gz UMBBFEVQYBBRSU-UHFFFAOYSA-N -1 0 349.430 3.779 20 0 EHADRM O=C(Nc1cccc(OC(F)(F)F)c1)c1s[n-]c(=O)c1Cl ZINC000573702765 1037727061 /nfs/dbraw/zinc/72/70/61/1037727061.db2.gz SJHNKJUIZUSAOM-UHFFFAOYSA-N -1 0 338.694 3.653 20 0 EHADRM Cc1nc2ccc(CN=c3[n-]nc(-c4ccoc4C)o3)cc2s1 ZINC000491876498 1037731687 /nfs/dbraw/zinc/73/16/87/1037731687.db2.gz ZIBYVRGKTIHSQM-UHFFFAOYSA-N -1 0 326.381 3.590 20 0 EHADRM Cc1nc(NC(=O)NO[C@H]2CCCCO2)sc1-c1ccccc1 ZINC000152830173 1037749652 /nfs/dbraw/zinc/74/96/52/1037749652.db2.gz ZYCNCJFFNIJPNY-ZDUSSCGKSA-N -1 0 333.413 3.698 20 0 EHADRM Cn1cc(/C=C/c2nc3cc(C(=O)[O-])ccc3n2-c2ccccc2)cn1 ZINC000031644338 1037786785 /nfs/dbraw/zinc/78/67/85/1037786785.db2.gz FJBPDDMHZQPCAI-JXMROGBWSA-N -1 0 344.374 3.628 20 0 EHADRM CCCc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(OC)c2)cc1 ZINC000532598827 1037806554 /nfs/dbraw/zinc/80/65/54/1037806554.db2.gz IVMWRIBXIZDUBC-SFHVURJKSA-N -1 0 341.407 3.594 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)no2)c2ccccc21 ZINC000669435586 1037869294 /nfs/dbraw/zinc/86/92/94/1037869294.db2.gz KSOGYYXJUZHBGC-OAHLLOKOSA-N -1 0 348.358 3.560 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)c2cc(-c3ccccc3)no2)c2ccccc21 ZINC000669435585 1037869527 /nfs/dbraw/zinc/86/95/27/1037869527.db2.gz KSOGYYXJUZHBGC-HNNXBMFYSA-N -1 0 348.358 3.560 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)c2cc(F)cc(Cl)c2[O-])n1 ZINC000119320588 1037896850 /nfs/dbraw/zinc/89/68/50/1037896850.db2.gz ANSIKBVQOXTIEL-OAHLLOKOSA-N -1 0 334.778 3.865 20 0 EHADRM COc1cccc(Cl)c1CN=c1[n-]nc(-c2ccc(C)s2)o1 ZINC000463252214 1037953259 /nfs/dbraw/zinc/95/32/59/1037953259.db2.gz IZVFURSQQONUEW-UHFFFAOYSA-N -1 0 335.816 3.803 20 0 EHADRM Cc1ccc(C[C@H]2CCCN2C(=O)c2cc(F)c(F)c([O-])c2F)cc1 ZINC000183617922 1037959354 /nfs/dbraw/zinc/95/93/54/1037959354.db2.gz CYCIDKSRKJWQQH-CYBMUJFWSA-N -1 0 349.352 3.965 20 0 EHADRM CCC[C@H](C)NC(=O)N=c1[n-]nc([C@H](CC)c2ccccc2)s1 ZINC000592472368 1037976310 /nfs/dbraw/zinc/97/63/10/1037976310.db2.gz KJELPYDBWJNYIT-GXTWGEPZSA-N -1 0 332.473 3.812 20 0 EHADRM CCOc1cccc([N-]S(=O)(=O)c2cccc(C)c2Cl)c1 ZINC000540498440 1038020287 /nfs/dbraw/zinc/02/02/87/1038020287.db2.gz AUPXCKCPGFFMNM-UHFFFAOYSA-N -1 0 325.817 3.848 20 0 EHADRM CCCc1nc(=NC(=O)Nc2cccc(CC(F)(F)F)c2)s[n-]1 ZINC000584558279 1038022835 /nfs/dbraw/zinc/02/28/35/1038022835.db2.gz ISAFTAOMJPAVLW-UHFFFAOYSA-N -1 0 344.362 3.661 20 0 EHADRM Cc1cc(-c2noc(C(=O)[N-]c3c(F)cccc3F)n2)ccc1F ZINC001212171635 1038054139 /nfs/dbraw/zinc/05/41/39/1038054139.db2.gz XVYLZEIRWVWOBK-UHFFFAOYSA-N -1 0 333.269 3.715 20 0 EHADRM Cc1oc(CN(C)C(=O)/C=C\c2cccc(Cl)c2)cc1C(=O)[O-] ZINC000492159024 1038060613 /nfs/dbraw/zinc/06/06/13/1038060613.db2.gz YBOGVUHIIIXHHG-SREVYHEPSA-N -1 0 333.771 3.611 20 0 EHADRM C[C@@]1(NC(=O)c2cc3ccc(Cl)cc3[nH]2)CCCC[C@@H]1C(=O)[O-] ZINC000431857745 1038165070 /nfs/dbraw/zinc/16/50/70/1038165070.db2.gz ANGSZNQVXMCGQB-SJKOYZFVSA-N -1 0 334.803 3.585 20 0 EHADRM Cc1ccc(Br)c(S(=O)(=O)[N-]c2ccsc2)c1 ZINC000124643865 1038216619 /nfs/dbraw/zinc/21/66/19/1038216619.db2.gz UONSPPDIIQLGLR-UHFFFAOYSA-N -1 0 332.244 3.620 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)CC)ccc2O)cc1 ZINC000461334795 1038351185 /nfs/dbraw/zinc/35/11/85/1038351185.db2.gz RTIZCUKVTXBZKJ-UHFFFAOYSA-N -1 0 347.436 3.738 20 0 EHADRM O=S(=O)([N-]c1cccc(Cl)c1O)c1c(F)cccc1Cl ZINC000184858546 1038357344 /nfs/dbraw/zinc/35/73/44/1038357344.db2.gz WQPXNBGZDCGFKG-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM CCC(CC)N(CC)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000416235128 1038388293 /nfs/dbraw/zinc/38/82/93/1038388293.db2.gz RTKCDRCSQFHGBH-UHFFFAOYSA-N -1 0 332.213 3.945 20 0 EHADRM COc1ccsc1CN=c1[n-]nc(C(C)(C)c2ccccc2)s1 ZINC000538593366 1038423475 /nfs/dbraw/zinc/42/34/75/1038423475.db2.gz NDAKJMUMWJBHHT-UHFFFAOYSA-N -1 0 345.493 3.968 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)c2cc(C)n([C@@H](C)CC)n2)s1 ZINC000538690396 1038481712 /nfs/dbraw/zinc/48/17/12/1038481712.db2.gz RGDLQEHJDFVWLO-JTQLQIEISA-N -1 0 335.477 3.592 20 0 EHADRM CCCc1nc(=NCCc2coc(-c3ccc(C)cc3)n2)s[n-]1 ZINC000461786511 1038609055 /nfs/dbraw/zinc/60/90/55/1038609055.db2.gz NAIFZOKBNPWXEM-UHFFFAOYSA-N -1 0 328.441 3.531 20 0 EHADRM CCn1nncc1/C=C(\CCCC(=O)[O-])c1nc2ccccc2s1 ZINC000416394352 1038627648 /nfs/dbraw/zinc/62/76/48/1038627648.db2.gz XCJQKNRUKSDRRS-ZRDIBKRKSA-N -1 0 342.424 3.703 20 0 EHADRM CC1(C)Cc2ccc(Cl)c(NS(=O)(=O)c3ccsc3)c2O1 ZINC000552034791 1038752778 /nfs/dbraw/zinc/75/27/78/1038752778.db2.gz DKOOHHSSFXLUFK-UHFFFAOYSA-N -1 0 343.857 3.916 20 0 EHADRM CCC(CC)(CC(=O)Nc1ccc(C(C)C)cc1C(=O)OC)C(=O)[O-] ZINC000488007617 1038775579 /nfs/dbraw/zinc/77/55/79/1038775579.db2.gz PCCFYPJWGLQFIP-UHFFFAOYSA-N -1 0 349.427 3.816 20 0 EHADRM COc1ccccc1SCC(=O)Nc1cc(Cl)c([O-])cc1F ZINC000554027024 1038792749 /nfs/dbraw/zinc/79/27/49/1038792749.db2.gz RJUFIIYZBYODOG-UHFFFAOYSA-N -1 0 341.791 3.924 20 0 EHADRM COc1ccccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000485260279 1038822391 /nfs/dbraw/zinc/82/23/91/1038822391.db2.gz WSLBSJBKRFELCR-UHFFFAOYSA-N -1 0 349.305 3.654 20 0 EHADRM C[C@H](c1ccc(C(=O)N[C@](C)(CC(=O)[O-])C2CC2)cc1)C(F)(F)F ZINC000910320392 1038823721 /nfs/dbraw/zinc/82/37/21/1038823721.db2.gz XVEIDNAFZBCWQG-QLJPJBMISA-N -1 0 343.345 3.726 20 0 EHADRM Cc1cc(Nc2cc(Br)ncc2F)ccc1C(=O)[O-] ZINC001211652556 1038840402 /nfs/dbraw/zinc/84/04/02/1038840402.db2.gz DVRBTEYFMLTSEY-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM O=C([O-])[C@@H](NCc1csc(C2CCCC2)n1)c1ccccc1F ZINC000905377818 1038850498 /nfs/dbraw/zinc/85/04/98/1038850498.db2.gz XKYOAGSVLMQPBR-HNNXBMFYSA-N -1 0 334.416 3.855 20 0 EHADRM CCC(C)(C)CC(=O)N1CCC(c2nc(C)c(C(=O)[O-])s2)CC1 ZINC000910358156 1038852314 /nfs/dbraw/zinc/85/23/14/1038852314.db2.gz QRJSPRSXKGNLIF-UHFFFAOYSA-N -1 0 338.473 3.682 20 0 EHADRM Cc1nc(N2CCCC[C@@H]2c2nc3ccccc3[nH]2)ccc1C(=O)[O-] ZINC000910374221 1038869575 /nfs/dbraw/zinc/86/95/75/1038869575.db2.gz LCJYIVNGVXPHIX-MRXNPFEDSA-N -1 0 336.395 3.696 20 0 EHADRM Cc1nc(N2CCCCC[C@@H]2C[C@H](O)c2ccco2)ccc1C(=O)[O-] ZINC000910374702 1038871536 /nfs/dbraw/zinc/87/15/36/1038871536.db2.gz KPAMURKXKHDDKE-ZBFHGGJFSA-N -1 0 344.411 3.554 20 0 EHADRM CCSc1ccc(CNC(=O)CC2CCC(C(=O)[O-])CC2)cc1 ZINC000910409660 1038898346 /nfs/dbraw/zinc/89/83/46/1038898346.db2.gz WJJKXPCUPBSKIN-UHFFFAOYSA-N -1 0 335.469 3.696 20 0 EHADRM CCCCN(C(=O)c1ccoc1CC(=O)[O-])[C@H](C)c1ccccc1 ZINC000910536782 1038957783 /nfs/dbraw/zinc/95/77/83/1038957783.db2.gz XQZYCFNPTOLIQW-CQSZACIVSA-N -1 0 329.396 3.910 20 0 EHADRM CCCc1nc(C)c(C(=O)Nc2ccc(C(=O)[O-])cc2OCC)s1 ZINC000910619986 1038991522 /nfs/dbraw/zinc/99/15/22/1038991522.db2.gz AAUALBCPDCJVKX-UHFFFAOYSA-N -1 0 348.424 3.753 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1cnc(-c2ccccc2)nc1 ZINC000488237810 1038993726 /nfs/dbraw/zinc/99/37/26/1038993726.db2.gz XZBZORFDQRRXML-UHFFFAOYSA-N -1 0 339.420 3.507 20 0 EHADRM CC[C@@H](C)n1ncc(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)c1C1CC1 ZINC000910647987 1039002742 /nfs/dbraw/zinc/00/27/42/1039002742.db2.gz BCOLXLRTGUZYKG-GXMKHXEJSA-N -1 0 343.383 3.675 20 0 EHADRM CCCCn1ncc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)c1C(C)C ZINC000910654843 1039005454 /nfs/dbraw/zinc/00/54/54/1039005454.db2.gz CKXWWCXXYMHNBB-UHFFFAOYSA-N -1 0 347.459 3.780 20 0 EHADRM Cn1cc(NC(=O)CC2CCC(C(=O)[O-])CC2)c(C2CCCCC2)n1 ZINC000910662358 1039007992 /nfs/dbraw/zinc/00/79/92/1039007992.db2.gz JFQHJYGUQLPINA-UHFFFAOYSA-N -1 0 347.459 3.687 20 0 EHADRM Cc1cc(NC(=O)Cc2cccc(C(=O)[O-])c2)nn1C1CCCCC1 ZINC000910666649 1039009411 /nfs/dbraw/zinc/00/94/11/1039009411.db2.gz YLKOAZQVXFJZLM-UHFFFAOYSA-N -1 0 341.411 3.576 20 0 EHADRM Cc1cc(NC(=O)c2ccc(/C=C\C(=O)[O-])o2)nn1C1CCCCC1 ZINC000910666371 1039009615 /nfs/dbraw/zinc/00/96/15/1039009615.db2.gz ULZVZVWBKNMSHK-NTMALXAHSA-N -1 0 343.383 3.640 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)Nc2ncc(CC(=O)[O-])s2)c1 ZINC000910669395 1039009870 /nfs/dbraw/zinc/00/98/70/1039009870.db2.gz CXCRDNWNVOETJK-GFCCVEGCSA-N -1 0 346.452 3.711 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])nn1C1CCCCC1 ZINC000910665674 1039010963 /nfs/dbraw/zinc/01/09/63/1039010963.db2.gz NPHIBASXSRVZPH-CABCVRRESA-N -1 0 333.432 3.526 20 0 EHADRM CC(C)c1scnc1C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC000910700553 1039028059 /nfs/dbraw/zinc/02/80/59/1039028059.db2.gz JEVRCCWXOZYRFQ-UHFFFAOYSA-N -1 0 339.442 3.797 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)/C=C\c2cccs2)nc1C(=O)[O-] ZINC000910721740 1039029868 /nfs/dbraw/zinc/02/98/68/1039029868.db2.gz PMIBFJHJDAFCJO-DGMVEKRQSA-N -1 0 348.449 3.588 20 0 EHADRM Cc1ccc(C(C)(C)C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)cc1 ZINC000910733770 1039041966 /nfs/dbraw/zinc/04/19/66/1039041966.db2.gz RUHAEVGXEKQTHF-UHFFFAOYSA-N -1 0 344.436 3.943 20 0 EHADRM CSc1cc(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)c(C)o1 ZINC000910741310 1039050986 /nfs/dbraw/zinc/05/09/86/1039050986.db2.gz SEEQJLOTLXDCLN-UHFFFAOYSA-N -1 0 338.410 3.594 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-][C@@H](c2cccc(C)c2)C(F)(F)F)s1 ZINC000512421209 1039084489 /nfs/dbraw/zinc/08/44/89/1039084489.db2.gz IBEUEBSITUUWQM-ZDUSSCGKSA-N -1 0 349.399 3.947 20 0 EHADRM C[C@@H](CC(=O)NCC(C)(C)CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000910822221 1039097124 /nfs/dbraw/zinc/09/71/24/1039097124.db2.gz QEGBHBMRRQECSF-NSHDSACASA-N -1 0 345.361 3.816 20 0 EHADRM COc1cc(C)c(S(=O)(=O)Nc2ccc(C)c(O)c2)cc1C(C)C ZINC000432774223 1039103769 /nfs/dbraw/zinc/10/37/69/1039103769.db2.gz ATGQIUPTUPCYAM-UHFFFAOYSA-N -1 0 349.452 3.942 20 0 EHADRM C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)cn1 ZINC000488324921 1039104338 /nfs/dbraw/zinc/10/43/38/1039104338.db2.gz DQNLXUFGBCIUJR-ZDUSSCGKSA-N -1 0 347.484 3.952 20 0 EHADRM C[C@H](C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1)c1ccc2ccccc2c1 ZINC000910858320 1039124688 /nfs/dbraw/zinc/12/46/88/1039124688.db2.gz URRIFAFLVLYMDI-QWQRMKEZSA-N -1 0 325.408 3.513 20 0 EHADRM C[C@@H](CC(=O)N(CCC(=O)[O-])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000237305868 1039136960 /nfs/dbraw/zinc/13/69/60/1039136960.db2.gz BFHXPXSHOQINCT-NSHDSACASA-N -1 0 343.345 3.665 20 0 EHADRM C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000910936879 1039143205 /nfs/dbraw/zinc/14/32/05/1039143205.db2.gz ZQYWZXAZHDANIF-TZMCWYRMSA-N -1 0 329.421 3.855 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1ccnc(NC2CCC2)c1 ZINC000910959337 1039160231 /nfs/dbraw/zinc/16/02/31/1039160231.db2.gz QMNYSGVLHYNXOZ-UHFFFAOYSA-N -1 0 339.395 3.559 20 0 EHADRM CCN(C(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1)c1cccc(C(=O)[O-])c1 ZINC000910966606 1039161634 /nfs/dbraw/zinc/16/16/34/1039161634.db2.gz GENRFLMCUFIYGY-ZWKOTPCHSA-N -1 0 339.391 3.550 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)Nc2cnn(C3CCCC3)c2)c1 ZINC000910980028 1039177032 /nfs/dbraw/zinc/17/70/32/1039177032.db2.gz QOODXCIYKAFXTB-UHFFFAOYSA-N -1 0 333.775 3.602 20 0 EHADRM CC(C)CCN(CCC(C)C)C(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000478085002 1039194505 /nfs/dbraw/zinc/19/45/05/1039194505.db2.gz IFOIXONYQFXODP-UHFFFAOYSA-N -1 0 345.443 3.564 20 0 EHADRM O=C([O-])C1(C(F)(F)F)CCN(C(=O)CCCC2CCCCC2)CC1 ZINC000911011782 1039199718 /nfs/dbraw/zinc/19/97/18/1039199718.db2.gz ILSILHKOIRJLAX-UHFFFAOYSA-N -1 0 349.393 3.993 20 0 EHADRM Clc1ccc(CN=c2[n-]nc(C3CC3)s2)c(Br)c1 ZINC000554320100 1039204811 /nfs/dbraw/zinc/20/48/11/1039204811.db2.gz SFILQSJAYXBQGQ-UHFFFAOYSA-N -1 0 344.665 3.865 20 0 EHADRM N=c1[n-]nc(SCc2cc(-c3ccccc3Cl)on2)n1C1CC1 ZINC000416912679 1039209830 /nfs/dbraw/zinc/20/98/30/1039209830.db2.gz DWYBWLAAIXNGHE-UHFFFAOYSA-N -1 0 347.831 3.626 20 0 EHADRM CCCCC[C@@H](C)CC(=O)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC000911036424 1039210228 /nfs/dbraw/zinc/21/02/28/1039210228.db2.gz YKWGYERQLZRAKY-OLZOCXBDSA-N -1 0 338.473 3.764 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)CCc2ccc3ccccc3c2)cc1 ZINC000485527481 1039212674 /nfs/dbraw/zinc/21/26/74/1039212674.db2.gz YPQNHUGQIYUIMB-UHFFFAOYSA-N -1 0 333.387 3.787 20 0 EHADRM CCNc1ccc(C(=O)[O-])cc1NC(=O)CCCc1nc(C)cs1 ZINC000911084016 1039216791 /nfs/dbraw/zinc/21/67/91/1039216791.db2.gz AIYVTFBBCVNHEL-UHFFFAOYSA-N -1 0 347.440 3.543 20 0 EHADRM CCC[C@H](C(=O)Nc1cc(C(=O)[O-])ccc1NCC)c1ccccn1 ZINC000911084318 1039217392 /nfs/dbraw/zinc/21/73/92/1039217392.db2.gz KJQAWNIWDFMYMT-AWEZNQCLSA-N -1 0 341.411 3.734 20 0 EHADRM CC(C)(C)[C@@H]1CCc2sc(C(=O)N3CCC(C(=O)[O-])CC3)cc2C1 ZINC000236671660 1039235524 /nfs/dbraw/zinc/23/55/24/1039235524.db2.gz YPPSYMWVRLTLIY-CQSZACIVSA-N -1 0 349.496 3.836 20 0 EHADRM Cn1cccc1[C@@H]1CCCCN1C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000155775320 1039243441 /nfs/dbraw/zinc/24/34/41/1039243441.db2.gz XZOIDOWHZBLVMJ-HNNXBMFYSA-N -1 0 336.794 3.891 20 0 EHADRM CO[C@H](C)c1nc(=NC2(Cc3ccc(Cl)cc3)CCC2)s[n-]1 ZINC000488515359 1039253985 /nfs/dbraw/zinc/25/39/85/1039253985.db2.gz KQXMIIFCEQQMFA-LLVKDONJSA-N -1 0 337.876 3.898 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1cccc(OCCC(C)C)c1 ZINC000064374068 1039258344 /nfs/dbraw/zinc/25/83/44/1039258344.db2.gz PEONPOOIOWPXKW-UHFFFAOYSA-N -1 0 349.452 3.921 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1c[nH]c(-c2ccccc2)n1 ZINC000552406800 1039258563 /nfs/dbraw/zinc/25/85/63/1039258563.db2.gz PRDWFWOBRGONMO-UHFFFAOYSA-N -1 0 331.734 3.827 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1ccccc1N1CCCCCC1 ZINC000911151847 1039260996 /nfs/dbraw/zinc/26/09/96/1039260996.db2.gz SOOCGDWURQXOTP-UHFFFAOYSA-N -1 0 342.395 3.919 20 0 EHADRM O=C([O-])C1CCC(CC(=O)Nc2cccc3ccc(O)cc32)CC1 ZINC000911153562 1039263300 /nfs/dbraw/zinc/26/33/00/1039263300.db2.gz GRVHSYTWQRJORN-UHFFFAOYSA-N -1 0 327.380 3.765 20 0 EHADRM FC(F)(F)[C@@H]1CCC[C@H](CN=c2[n-]nc(-c3ccccn3)s2)C1 ZINC000545473846 1039266687 /nfs/dbraw/zinc/26/66/87/1039266687.db2.gz CANXCPZKXXFGCR-WDEREUQCSA-N -1 0 342.390 3.803 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2C[C@@H](C)C[C@H]2c2ccccc2)s1 ZINC000554387525 1039282759 /nfs/dbraw/zinc/28/27/59/1039282759.db2.gz UGPMRFXOSFZQCV-JSGCOSHPSA-N -1 0 330.457 3.528 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)NCc1ccc(Cl)s1 ZINC000318866583 1039332644 /nfs/dbraw/zinc/33/26/44/1039332644.db2.gz JKYGNVMCNPPYDY-GFCCVEGCSA-N -1 0 344.864 3.624 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N(CCC(=O)[O-])C1CC1 ZINC000237519206 1039350326 /nfs/dbraw/zinc/35/03/26/1039350326.db2.gz RXRKXCLXFWVGKO-SNVBAGLBSA-N -1 0 344.238 3.638 20 0 EHADRM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(/C=C/C(=O)[O-])o2)s1 ZINC000911428782 1039361961 /nfs/dbraw/zinc/36/19/61/1039361961.db2.gz WKBCXVBGJGYOQI-MXMFLMJRSA-N -1 0 348.424 3.538 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)CCCc1cccs1 ZINC000237581372 1039391906 /nfs/dbraw/zinc/39/19/06/1039391906.db2.gz KAVASXXDJIROAL-MRXNPFEDSA-N -1 0 331.437 3.711 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)Nc1c(F)cccc1F)C1CCCCC1 ZINC000237576789 1039392253 /nfs/dbraw/zinc/39/22/53/1039392253.db2.gz QZGWLIFLOKQKOO-KRWDZBQOSA-N -1 0 325.355 3.965 20 0 EHADRM O=C([O-])c1ccc2[nH]cc(-c3ccccc3OC[C@@H]3CCOC3)c2c1 ZINC000906238039 1039423581 /nfs/dbraw/zinc/42/35/81/1039423581.db2.gz BUIUSESRPOHBTK-CYBMUJFWSA-N -1 0 337.375 3.948 20 0 EHADRM CC[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1ccncc1)c1ccc(C)cc1 ZINC000911660069 1039441799 /nfs/dbraw/zinc/44/17/99/1039441799.db2.gz UMZROGSYWDHVKR-MAUKXSAKSA-N -1 0 340.423 3.606 20 0 EHADRM C[C@@H]1C[C@H](CC(=O)N[C@H](CC(=O)[O-])c2ccncc2)CC(C)(C)C1 ZINC000911658413 1039453636 /nfs/dbraw/zinc/45/36/36/1039453636.db2.gz LAQGNEQBVPZVEP-IIAWOOMASA-N -1 0 332.444 3.566 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)Nc2cc(C(=O)[O-])c(C)cc2F)c1 ZINC000911680240 1039454936 /nfs/dbraw/zinc/45/49/36/1039454936.db2.gz CGNCUTWQJCWVHN-NSHDSACASA-N -1 0 345.370 3.973 20 0 EHADRM COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cc(C(=O)[O-])c(C)cc1F ZINC000911680205 1039455532 /nfs/dbraw/zinc/45/55/32/1039455532.db2.gz BGPLJQPATBUZPP-UONOGXRCSA-N -1 0 343.354 3.583 20 0 EHADRM COc1ccc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2F)cc1C1CC1 ZINC000911686654 1039461153 /nfs/dbraw/zinc/46/11/53/1039461153.db2.gz NSSCORKRYYUKSN-UHFFFAOYSA-N -1 0 343.354 3.971 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N2CC3(CCC3)c3c2cccc3F)o1 ZINC000911691178 1039462718 /nfs/dbraw/zinc/46/27/18/1039462718.db2.gz BHWLMRUAUGUTEA-VURMDHGXSA-N -1 0 341.338 3.599 20 0 EHADRM Cc1cc(F)c(NC(=O)[C@@H]2CCCc3sccc32)cc1C(=O)[O-] ZINC000911688436 1039463440 /nfs/dbraw/zinc/46/34/40/1039463440.db2.gz HBCWSYHGZLTESN-LLVKDONJSA-N -1 0 333.384 3.952 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000911719447 1039471640 /nfs/dbraw/zinc/47/16/40/1039471640.db2.gz VQXGWODRZPGOBF-JCNLHEQBSA-N -1 0 343.810 3.643 20 0 EHADRM Cc1nc(CCC(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)cs1 ZINC000911738051 1039479087 /nfs/dbraw/zinc/47/90/87/1039479087.db2.gz NLRGLACRMWLIFN-UHFFFAOYSA-N -1 0 348.424 3.508 20 0 EHADRM CC(=O)c1cc(F)c([N-]C(=O)c2oc(C(C)C)nc2C)c(F)c1F ZINC000410643915 1039499507 /nfs/dbraw/zinc/49/95/07/1039499507.db2.gz QBEXGUQUXVBODR-UHFFFAOYSA-N -1 0 340.301 3.979 20 0 EHADRM CCC[C@](C)(NC(=O)N[C@H](C)c1ccc(SCC)cc1)C(=O)[O-] ZINC000554603153 1039513609 /nfs/dbraw/zinc/51/36/09/1039513609.db2.gz JNLZFJKYAALWFW-PXAZEXFGSA-N -1 0 338.473 3.802 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)[N-]S(=O)(=O)CCCF ZINC000080315686 1039538657 /nfs/dbraw/zinc/53/86/57/1039538657.db2.gz LWSLDPGMFRZHBE-ZDUSSCGKSA-N -1 0 345.436 3.532 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1ccn(Cc2ccccc2)n1 ZINC000478595595 1039554851 /nfs/dbraw/zinc/55/48/51/1039554851.db2.gz SNAIOOXLJHCPGX-UHFFFAOYSA-N -1 0 345.761 3.682 20 0 EHADRM O=C(CCCCCc1ccc(F)cc1)N=c1ccc(C2CC2)n[n-]1 ZINC000489046054 1039585137 /nfs/dbraw/zinc/58/51/37/1039585137.db2.gz UQEYNSNXOKWVBP-UHFFFAOYSA-N -1 0 327.403 3.657 20 0 EHADRM CC1(C)[C@H](N=c2[n-]nc(C(F)F)s2)C[C@H]1OCc1ccccc1 ZINC000554679409 1039596047 /nfs/dbraw/zinc/59/60/47/1039596047.db2.gz PJCYLNJQZJEUPK-VXGBXAGGSA-N -1 0 339.411 3.693 20 0 EHADRM c1c[nH]c(-c2cccc(CN=c3[n-]nc(-c4ccccc4)s3)c2)n1 ZINC000500861709 1039630618 /nfs/dbraw/zinc/63/06/18/1039630618.db2.gz GAUNCYACKDYXIG-UHFFFAOYSA-N -1 0 333.420 3.629 20 0 EHADRM C[C@@H]1CCC[C@H](C)N1C(=O)c1c[nH]c(=NC(=O)OC(C)(C)C)s1 ZINC000906565503 1039649882 /nfs/dbraw/zinc/64/98/82/1039649882.db2.gz BKBOEPSFLRFJHO-PHIMTYICSA-N -1 0 339.461 3.893 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000912107073 1039690342 /nfs/dbraw/zinc/69/03/42/1039690342.db2.gz GDMAAWNVAZSQHJ-IAGOWNOFSA-N -1 0 345.826 3.774 20 0 EHADRM COCCC[C@H](Cc1ccccc1)N=c1nc(C(C)(C)C)[n-]s1 ZINC000480557047 1039693379 /nfs/dbraw/zinc/69/33/79/1039693379.db2.gz WHYBGJHYUYTRQA-OAHLLOKOSA-N -1 0 333.501 3.707 20 0 EHADRM Clc1cc(Cl)cc(-c2n[n-]c(=N[C@H]3CCSC3)s2)c1 ZINC000480579998 1039724336 /nfs/dbraw/zinc/72/43/36/1039724336.db2.gz MEFAKOBGIPGBAJ-JTQLQIEISA-N -1 0 332.281 3.851 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)C1(CC(C)C)CCC1 ZINC000549732264 1039742973 /nfs/dbraw/zinc/74/29/73/1039742973.db2.gz IECIMRYRIBUAPC-UHFFFAOYSA-N -1 0 328.416 3.641 20 0 EHADRM Fc1ccccc1N=c1[n-]nc(SCCOC2CCCC2)s1 ZINC000431943354 1039752899 /nfs/dbraw/zinc/75/28/99/1039752899.db2.gz VTTYPBUOJLTWKQ-UHFFFAOYSA-N -1 0 339.461 3.894 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000486021987 1039793007 /nfs/dbraw/zinc/79/30/07/1039793007.db2.gz XBHYJCYFNGFNNV-KRWDZBQOSA-N -1 0 349.386 3.874 20 0 EHADRM Cc1cc(O)c2nc(/C=C\c3cccc(OCC(=O)[O-])c3)ccc2c1 ZINC000478912043 1039807203 /nfs/dbraw/zinc/80/72/03/1039807203.db2.gz OPCBRDGEFAQTMK-ALCCZGGFSA-N -1 0 335.359 3.883 20 0 EHADRM CC(C)c1nc(=N[C@H](C)c2ccc(-n3cccn3)c(F)c2)s[n-]1 ZINC000570422569 1039835734 /nfs/dbraw/zinc/83/57/34/1039835734.db2.gz CWJAKOMJIPRKOJ-LLVKDONJSA-N -1 0 331.420 3.581 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2C)c1 ZINC000312499842 1039906783 /nfs/dbraw/zinc/90/67/83/1039906783.db2.gz QMQYNTJQCVLNPF-UHFFFAOYSA-N -1 0 328.846 3.566 20 0 EHADRM C[C@H]1CC[C@@H](CSc2n[n-]c(=Nc3ccccc3F)s2)O1 ZINC000473402890 1039924781 /nfs/dbraw/zinc/92/47/81/1039924781.db2.gz SEOVOEPPNNPYNA-UWVGGRQHSA-N -1 0 325.434 3.502 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1nc2c(s1)C[C@H](C)CC2 ZINC000479072192 1039933928 /nfs/dbraw/zinc/93/39/28/1039933928.db2.gz UXGFIEOCECKMOY-SECBINFHSA-N -1 0 340.445 3.516 20 0 EHADRM CCO[C@H](CS(=O)(=O)Nc1cc(Cl)ccc1Cl)C1CC1 ZINC000629281593 1039981876 /nfs/dbraw/zinc/98/18/76/1039981876.db2.gz CVQQGNIEUDLQBF-CYBMUJFWSA-N -1 0 338.256 3.550 20 0 EHADRM CC(C)c1nc(=N[C@H](CCO)c2ccc(Cl)c(Cl)c2)s[n-]1 ZINC000553335949 1039985574 /nfs/dbraw/zinc/98/55/74/1039985574.db2.gz BEUPDMJNRRFTNA-GFCCVEGCSA-N -1 0 346.283 3.926 20 0 EHADRM COCc1ccc(CN[C@@]2(C(=O)[O-])C[C@H](C(C)C)c3ccccc32)o1 ZINC000417577347 1040021684 /nfs/dbraw/zinc/02/16/84/1040021684.db2.gz JDIRCFNRMVSMPK-XLIONFOSSA-N -1 0 343.423 3.639 20 0 EHADRM O=S(=O)(Nc1ccnc(-c2ccccc2)c1)c1ccc(F)c(F)c1 ZINC000479240542 1040058303 /nfs/dbraw/zinc/05/83/03/1040058303.db2.gz HBALTZRVCAHKQR-UHFFFAOYSA-N -1 0 346.358 3.828 20 0 EHADRM CC[C@H](Cc1ccc(NCc2cnc(C3CC3)nc2)cc1)C(=O)[O-] ZINC000417607879 1040058595 /nfs/dbraw/zinc/05/85/95/1040058595.db2.gz HNQCOYFUIBEKGB-OAHLLOKOSA-N -1 0 325.412 3.619 20 0 EHADRM CSc1ccc(CCC(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000907549742 1040091308 /nfs/dbraw/zinc/09/13/08/1040091308.db2.gz ISZGNGMBVADGIE-CQSZACIVSA-N -1 0 349.477 3.735 20 0 EHADRM COC1(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)CCCCCC1 ZINC000907610204 1040099774 /nfs/dbraw/zinc/09/97/74/1040099774.db2.gz UULDOECMVFWKFB-UHFFFAOYSA-N -1 0 349.427 3.608 20 0 EHADRM CC(C)Cc1ncc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)s1 ZINC000907597402 1040106136 /nfs/dbraw/zinc/10/61/36/1040106136.db2.gz AUQGCINWHSNDLQ-UHFFFAOYSA-N -1 0 332.425 3.611 20 0 EHADRM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)C(C)(C)CC(C)(C)C ZINC000907629687 1040110444 /nfs/dbraw/zinc/11/04/44/1040110444.db2.gz RKPRVGZTIHNGTE-UHFFFAOYSA-N -1 0 335.444 3.571 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N[C@@H](C)CCC(=O)[O-])c(F)c2)cc1 ZINC000237533926 1040119764 /nfs/dbraw/zinc/11/97/64/1040119764.db2.gz RWKBGSRKODUMKI-ZDUSSCGKSA-N -1 0 329.371 3.784 20 0 EHADRM CC(C)(C)[C@H]1CCCN(C(=O)c2nn(-c3ccccc3)cc2[O-])CC1 ZINC000486460615 1040143810 /nfs/dbraw/zinc/14/38/10/1040143810.db2.gz OHOGXZUTLDQUGN-HNNXBMFYSA-N -1 0 341.455 3.866 20 0 EHADRM CCCC(=O)Nc1cccc(CNC(=O)c2cc(O)ccc2Cl)c1 ZINC000584876246 1040181691 /nfs/dbraw/zinc/18/16/91/1040181691.db2.gz IFZYMYAPQVTRHG-UHFFFAOYSA-N -1 0 346.814 3.714 20 0 EHADRM CCCOc1ccc(NC(=O)NCCCCCC(=O)[O-])cc1Cl ZINC000417733957 1040201623 /nfs/dbraw/zinc/20/16/23/1040201623.db2.gz JOTWXMVRUPPFER-UHFFFAOYSA-N -1 0 342.823 3.895 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@H]12 ZINC000907943867 1040239072 /nfs/dbraw/zinc/23/90/72/1040239072.db2.gz FSWYSOPFDGOOLQ-GIFSMMMISA-N -1 0 347.411 3.578 20 0 EHADRM O=C([O-])c1cccc2c1CCN2C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000907985424 1040257978 /nfs/dbraw/zinc/25/79/78/1040257978.db2.gz SGQRJKLVHSDQHI-OLZOCXBDSA-N -1 0 341.329 3.643 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(C3(C)CCCC3)on2)ccc1F ZINC000432953972 1040268939 /nfs/dbraw/zinc/26/89/39/1040268939.db2.gz DRLXKKIZTMFHRW-UHFFFAOYSA-N -1 0 338.404 3.755 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cc(C3(C)CCCC3)on2)c1F ZINC000432961471 1040280594 /nfs/dbraw/zinc/28/05/94/1040280594.db2.gz NXQYXVDWFLQLKX-UHFFFAOYSA-N -1 0 338.404 3.755 20 0 EHADRM CN(C(=O)c1ccc(OC2CCC2)cc1)c1cccc(CC(=O)[O-])c1 ZINC000908087819 1040282740 /nfs/dbraw/zinc/28/27/40/1040282740.db2.gz FVJKPJRWHAJMJU-UHFFFAOYSA-N -1 0 339.391 3.522 20 0 EHADRM CN(C(=O)CCc1ccc(Cl)s1)c1cccc(CC(=O)[O-])c1 ZINC000908076176 1040288669 /nfs/dbraw/zinc/28/86/69/1040288669.db2.gz CMGCVGVKNQRVSB-UHFFFAOYSA-N -1 0 337.828 3.624 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)Cc1cccc(C(=O)[O-])c1)C(C)(C)C ZINC000908118825 1040296468 /nfs/dbraw/zinc/29/64/68/1040296468.db2.gz FLKNJFMQBJDLQP-SFHVURJKSA-N -1 0 340.423 3.534 20 0 EHADRM CCOc1ccc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c(C)c1 ZINC000899312339 1040311498 /nfs/dbraw/zinc/31/14/98/1040311498.db2.gz ZACAEUIIWMWMLR-CQSZACIVSA-N -1 0 334.416 3.645 20 0 EHADRM Cc1sc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])nc1C(C)C ZINC000899313209 1040314188 /nfs/dbraw/zinc/31/41/88/1040314188.db2.gz HXWAZBVDYLLTIY-GFCCVEGCSA-N -1 0 339.461 3.826 20 0 EHADRM CCCC[C@H](C(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1)C(C)C ZINC000908172748 1040316809 /nfs/dbraw/zinc/31/68/09/1040316809.db2.gz HHIYTGGSTVHIMQ-DGSCNEQVSA-N -1 0 341.517 3.694 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cccc(C(C)(C)C)c2O)c(C)c1 ZINC000479536476 1040346214 /nfs/dbraw/zinc/34/62/14/1040346214.db2.gz DYYAGLXNBVCZAF-UHFFFAOYSA-N -1 0 349.452 3.808 20 0 EHADRM Cc1cc(C(F)F)oc1C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC000908293807 1040392138 /nfs/dbraw/zinc/39/21/38/1040392138.db2.gz VLWYDZFPKLVYTR-LLVKDONJSA-N -1 0 329.343 3.537 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@@H]2CC[C@H](CC(=O)[O-])C2)c1 ZINC000908366067 1040414306 /nfs/dbraw/zinc/41/43/06/1040414306.db2.gz IBXWDVLQSQODGA-OWCLPIDISA-N -1 0 347.455 3.645 20 0 EHADRM CC(C)(CC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1)CC(F)(F)F ZINC000908609018 1040532020 /nfs/dbraw/zinc/53/20/20/1040532020.db2.gz OOJKHTKQYVWHQM-LBPRGKRZSA-N -1 0 349.324 3.826 20 0 EHADRM Cc1nn(C(C)C)c(C)c1CC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000908683480 1040572565 /nfs/dbraw/zinc/57/25/65/1040572565.db2.gz DVNWHJCJKAPZCW-UHFFFAOYSA-N -1 0 349.818 3.614 20 0 EHADRM COc1cccc(Cc2n[n-]c(=NCc3c(C)cc(C)cc3C)o2)c1 ZINC000479772415 1040590001 /nfs/dbraw/zinc/59/00/01/1040590001.db2.gz CEOSDOPNCIBJBA-UHFFFAOYSA-N -1 0 337.423 3.628 20 0 EHADRM FC(F)(F)Oc1cccc(CN=c2[n-]nc(Cc3ccccc3)o2)c1 ZINC000479778696 1040596570 /nfs/dbraw/zinc/59/65/70/1040596570.db2.gz QKFLQXSDXQGXEM-UHFFFAOYSA-N -1 0 349.312 3.593 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)Nc1cccc(O)c1Br ZINC000908712151 1040607545 /nfs/dbraw/zinc/60/75/45/1040607545.db2.gz AGNVHLQZRNKXRJ-ZDUSSCGKSA-N -1 0 342.233 3.831 20 0 EHADRM Cc1cc(Nc2ccccc2S(=O)(=O)C(C)C)ccc1C(=O)[O-] ZINC001211655297 1040622797 /nfs/dbraw/zinc/62/27/97/1040622797.db2.gz SQFJVWRHPJBCRL-UHFFFAOYSA-N -1 0 333.409 3.619 20 0 EHADRM FC1(F)CC[C@@H](CSc2n[n-]c(=NCc3ccco3)s2)C1 ZINC000555463390 1040625033 /nfs/dbraw/zinc/62/50/33/1040625033.db2.gz HSYAYLMXZYBZER-SECBINFHSA-N -1 0 331.413 3.693 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000908759863 1040639681 /nfs/dbraw/zinc/63/96/81/1040639681.db2.gz JBCWJPHMSUKQNX-ZIAGYGMSSA-N -1 0 337.828 3.718 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3CCC4(CCCCC4)CC3)(CC1)CC2 ZINC000908771037 1040643367 /nfs/dbraw/zinc/64/33/67/1040643367.db2.gz CIWCVCFABIIUHB-UHFFFAOYSA-N -1 0 333.472 3.985 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)c2ccoc2CC(=O)[O-])c1C ZINC000908822654 1040668129 /nfs/dbraw/zinc/66/81/29/1040668129.db2.gz DRQPIXCPVWYBCP-INIZCTEOSA-N -1 0 327.380 3.501 20 0 EHADRM O=C([O-])CN(C(=O)c1coc(C2CCCCC2)n1)C1CCCCC1 ZINC000909008188 1040740248 /nfs/dbraw/zinc/74/02/48/1040740248.db2.gz OUZADRAZUPXZEC-UHFFFAOYSA-N -1 0 334.416 3.582 20 0 EHADRM C[C@@H](C(=O)NCCCCCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000909088475 1040794342 /nfs/dbraw/zinc/79/43/42/1040794342.db2.gz FXURZQVZRYVSGP-LLVKDONJSA-N -1 0 331.334 3.570 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)CC(C)(C)CC(F)(F)F)C(=O)[O-])cc1 ZINC000909252798 1040898448 /nfs/dbraw/zinc/89/84/48/1040898448.db2.gz MZTCEICNYCYJNG-CYBMUJFWSA-N -1 0 345.361 3.648 20 0 EHADRM CC1(C)COc2ccc(-c3ccc4c(c3)[C@H](CC(=O)[O-])C(=O)N4)cc21 ZINC000899640418 1040907937 /nfs/dbraw/zinc/90/79/37/1040907937.db2.gz HJUHYVNNARAMCZ-AWEZNQCLSA-N -1 0 337.375 3.534 20 0 EHADRM CCc1cc(C(=O)N=c2nc(Cc3ccccc3)[n-]s2)oc1CC ZINC000487622127 1040996963 /nfs/dbraw/zinc/99/69/63/1040996963.db2.gz BIRVDWYGBWSCIE-UHFFFAOYSA-N -1 0 341.436 3.521 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2CCCc3c(O)cccc32)c1 ZINC000909832415 1041029332 /nfs/dbraw/zinc/02/93/32/1041029332.db2.gz SUODUVTZGGCVQK-YVEFUNNKSA-N -1 0 339.391 3.639 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)C[C@@H]2CCC3(CCC3)CO2)c1 ZINC000909833194 1041031464 /nfs/dbraw/zinc/03/14/64/1041031464.db2.gz YFYRYPCXHVUAIX-BBRMVZONSA-N -1 0 331.412 3.553 20 0 EHADRM CC(C)[C@@H]1C[C@H](CC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)CCO1 ZINC000909837068 1041033960 /nfs/dbraw/zinc/03/39/60/1041033960.db2.gz TUBIQLXKOGEBMU-VBQJREDUSA-N -1 0 333.428 3.655 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000909845509 1041036410 /nfs/dbraw/zinc/03/64/10/1041036410.db2.gz DDLXLZJJQWCPRZ-UHFFFAOYSA-N -1 0 347.390 3.571 20 0 EHADRM C[C@@H](C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-])c1ccc(Cl)cc1 ZINC000652059306 1041069496 /nfs/dbraw/zinc/06/94/96/1041069496.db2.gz IOQNPUNPCAKCMW-CJNGLKHVSA-N -1 0 345.826 3.503 20 0 EHADRM C[C@H](c1ccc(C(=O)NCc2ccoc2C(=O)[O-])cc1)C(F)(F)F ZINC000909963455 1041084196 /nfs/dbraw/zinc/08/41/96/1041084196.db2.gz WROJYXDHNGVKIT-SECBINFHSA-N -1 0 341.285 3.574 20 0 EHADRM COc1ccc(C)cc1NC(=O)C[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC000899760236 1041085670 /nfs/dbraw/zinc/08/56/70/1041085670.db2.gz ZDMMLEBUEZNEOH-HNNXBMFYSA-N -1 0 327.380 3.509 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)Nc1ccc(Oc2ccncc2)cc1 ZINC000899764629 1041093965 /nfs/dbraw/zinc/09/39/65/1041093965.db2.gz ACWNAZCDZVBNIR-APWZRJJASA-N -1 0 340.379 3.559 20 0 EHADRM Cc1ccc([C@H](CC(=O)N[C@@H]2CCCc3sccc32)C(=O)[O-])cc1 ZINC000899780660 1041105934 /nfs/dbraw/zinc/10/59/34/1041105934.db2.gz JLCJZNOJEJMWPA-JKSUJKDBSA-N -1 0 343.448 3.809 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)[C@H](c1cccnc1)C1CCCCC1 ZINC000909998556 1041133241 /nfs/dbraw/zinc/13/32/41/1041133241.db2.gz GWGIPFRNGUYAJF-ZWOKBUDYSA-N -1 0 344.455 3.505 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C ZINC000899801912 1041141650 /nfs/dbraw/zinc/14/16/50/1041141650.db2.gz VZNBKLHWOFYLIP-SUMWQHHRSA-N -1 0 345.443 3.513 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000899796530 1041148457 /nfs/dbraw/zinc/14/84/57/1041148457.db2.gz LMRPSIFRXCGCQV-AAEUAGOBSA-N -1 0 327.371 3.621 20 0 EHADRM C/C=C(\CC)C(=O)N1CCC([C@@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000910034609 1041155801 /nfs/dbraw/zinc/15/58/01/1041155801.db2.gz VYTBPPHBEPKZCV-VSEHZYKHSA-N -1 0 329.440 3.840 20 0 EHADRM CC[C@@H]1C[C@H]1C(=O)N1CCC([C@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000910037034 1041157956 /nfs/dbraw/zinc/15/79/56/1041157956.db2.gz QETLJYKIEXVXGV-ZTFGCOKTSA-N -1 0 329.440 3.530 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1CCC[C@@H]1c1ccccc1)C2 ZINC000910040271 1041160378 /nfs/dbraw/zinc/16/03/78/1041160378.db2.gz SPORNKXBIIWXHP-RTBURBONSA-N -1 0 335.403 3.811 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)N(C)[C@H](C)c1nc2ccccc2s1 ZINC000899817975 1041174539 /nfs/dbraw/zinc/17/45/39/1041174539.db2.gz MXIZHEZNYBFFKQ-OLZOCXBDSA-N -1 0 348.468 3.953 20 0 EHADRM CCCCc1nc(CN(C)Cc2ccc(OCC(=O)[O-])cc2)cs1 ZINC000571096401 1041183157 /nfs/dbraw/zinc/18/31/57/1041183157.db2.gz AZLOTBPJDZPCBX-UHFFFAOYSA-N -1 0 348.468 3.581 20 0 EHADRM CC1(C)CCCC[C@@H]1C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])cs1 ZINC000910108025 1041191994 /nfs/dbraw/zinc/19/19/94/1041191994.db2.gz FCCQSQVBZZCHTD-DGCLKSJQSA-N -1 0 336.457 3.721 20 0 EHADRM CCN(C(=O)C[C@@H](C(=O)[O-])c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000899831777 1041192221 /nfs/dbraw/zinc/19/22/21/1041192221.db2.gz YWKLOOCDTSSTAT-GOSISDBHSA-N -1 0 341.407 3.615 20 0 EHADRM O=C([O-])c1csc([C@@H]2CCCN2C(=O)CCC2CCCCC2)n1 ZINC000910112334 1041194017 /nfs/dbraw/zinc/19/40/17/1041194017.db2.gz LBVCPCPOKKBVIZ-AWEZNQCLSA-N -1 0 336.457 3.865 20 0 EHADRM O=C([O-])c1csc([C@@H]2CCCN2C(=O)CCCC2CCCC2)n1 ZINC000910112642 1041194727 /nfs/dbraw/zinc/19/47/27/1041194727.db2.gz DCQWVRYALNDCET-AWEZNQCLSA-N -1 0 336.457 3.865 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])[C@@H]1COCC[C@@H]1c1ccccc1 ZINC000571147909 1041205513 /nfs/dbraw/zinc/20/55/13/1041205513.db2.gz MRSLYZDLOJEYFW-ZIAGYGMSSA-N -1 0 349.789 3.944 20 0 EHADRM CCc1ccccc1NC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000555838740 1041221917 /nfs/dbraw/zinc/22/19/17/1041221917.db2.gz YJYGGQHZZBEXNH-UHFFFAOYSA-N -1 0 325.343 3.532 20 0 EHADRM C/C=C\C[C@@H](NC(=O)Nc1ccc2nc(C(C)C)sc2c1)C(=O)[O-] ZINC000555851721 1041241375 /nfs/dbraw/zinc/24/13/75/1041241375.db2.gz LBECIRRZPBLUSZ-DSYXLKISSA-N -1 0 347.440 3.961 20 0 EHADRM CCc1cc(NC(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)ccc1C ZINC000555851380 1041242730 /nfs/dbraw/zinc/24/27/30/1041242730.db2.gz XQFDYQJXRKWRLE-QGZVFWFLSA-N -1 0 326.396 3.847 20 0 EHADRM CC1(C)C[C@@H](C(=O)Nc2ccc(F)c(F)c2[O-])c2ccccc2O1 ZINC000412422251 1041383106 /nfs/dbraw/zinc/38/31/06/1041383106.db2.gz JFQAKWAODIVSHG-LLVKDONJSA-N -1 0 333.334 3.954 20 0 EHADRM Cc1ccncc1CSc1n[n-]c(=Nc2cccc(F)c2)s1 ZINC000433394592 1041383512 /nfs/dbraw/zinc/38/35/12/1041383512.db2.gz BPRJQOBDBACTBY-UHFFFAOYSA-N -1 0 332.429 3.838 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)Nc2ccc(OC(C)C)cc2F)c1 ZINC000052025437 1041434845 /nfs/dbraw/zinc/43/48/45/1041434845.db2.gz FRPMKAWWIRBZJS-UHFFFAOYSA-N -1 0 341.379 3.861 20 0 EHADRM C[C@]1(NC(=O)CCc2ccc3ccccc3c2)CCCC[C@@H]1C(=O)[O-] ZINC000432096133 1041590131 /nfs/dbraw/zinc/59/01/31/1041590131.db2.gz DRLACIAJTVMYNN-NQIIRXRSSA-N -1 0 339.435 3.922 20 0 EHADRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)CC1CCCCCC1 ZINC000432115062 1041611212 /nfs/dbraw/zinc/61/12/12/1041611212.db2.gz WHLLWGZVWCMXOT-SFHVURJKSA-N -1 0 331.456 3.939 20 0 EHADRM CSCc1ccccc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000432120805 1041618772 /nfs/dbraw/zinc/61/87/72/1041618772.db2.gz SCFDVGHBUKNTDH-UHFFFAOYSA-N -1 0 329.421 3.819 20 0 EHADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)CCCC1CCCC1 ZINC000432124439 1041618987 /nfs/dbraw/zinc/61/89/87/1041618987.db2.gz AOPFMOKBKGZNDS-GOSISDBHSA-N -1 0 331.456 3.939 20 0 EHADRM Cc1cnc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000194545271 1041631763 /nfs/dbraw/zinc/63/17/63/1041631763.db2.gz HFUVTBARNQDJFP-UHFFFAOYSA-N -1 0 337.253 3.700 20 0 EHADRM Cc1cc2occ(CC(=O)NC3(CC(=O)[O-])CC3)c2cc1C(C)C ZINC000652117057 1041632785 /nfs/dbraw/zinc/63/27/85/1041632785.db2.gz UVLKBLFFXSJDRP-UHFFFAOYSA-N -1 0 329.396 3.531 20 0 EHADRM Cc1ccc(CCCCC(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])cc1 ZINC000432134612 1041636103 /nfs/dbraw/zinc/63/61/03/1041636103.db2.gz UVEYSAYIRJIAGK-XLIONFOSSA-N -1 0 331.456 3.858 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)C[C@H]1C1CC1 ZINC000652125074 1041672400 /nfs/dbraw/zinc/67/24/00/1041672400.db2.gz BFXLGROPPKKNHQ-YSTOQKLRSA-N -1 0 349.430 3.513 20 0 EHADRM COc1ccc2c(c1)OCC[C@@H]2N=c1nc(C2CCCC2)[n-]s1 ZINC000643184909 1042128947 /nfs/dbraw/zinc/12/89/47/1042128947.db2.gz YVIATEZZVSQZOG-AWEZNQCLSA-N -1 0 331.441 3.562 20 0 EHADRM Cn1nc(CN=c2nc(C3CCCCC3)[n-]s2)c2ccccc21 ZINC000643187943 1042183832 /nfs/dbraw/zinc/18/38/32/1042183832.db2.gz KZNZPLVDLVVOHJ-UHFFFAOYSA-N -1 0 327.457 3.507 20 0 EHADRM Cc1cnc(N2CCC[C@H](CCC(=O)[O-])C2)nc1-c1ccccc1F ZINC000662887711 1042190240 /nfs/dbraw/zinc/19/02/40/1042190240.db2.gz OAPUPPHEBMCVHK-CQSZACIVSA-N -1 0 343.402 3.672 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(c2ncc(Cl)cc2Br)C1 ZINC000662887767 1042190486 /nfs/dbraw/zinc/19/04/86/1042190486.db2.gz QGPGSDXPIMDAKX-SECBINFHSA-N -1 0 347.640 3.579 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(c2ncccc2OCc2ccccc2)C1 ZINC000662887827 1042192497 /nfs/dbraw/zinc/19/24/97/1042192497.db2.gz RXPYERGCZWUWKS-MRXNPFEDSA-N -1 0 340.423 3.742 20 0 EHADRM CC(C)n1ccc(N=C([O-])Nc2cc(-c3ccccc3)ns2)n1 ZINC000432229659 1042217723 /nfs/dbraw/zinc/21/77/23/1042217723.db2.gz SVPNNXJTGIUERG-UHFFFAOYSA-N -1 0 327.413 3.653 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)N=c1[n-]nc(C2CC2)s1 ZINC000549562651 1042275098 /nfs/dbraw/zinc/27/50/98/1042275098.db2.gz UUUBEMITXKMODS-GFCCVEGCSA-N -1 0 344.484 3.715 20 0 EHADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)Cc1cccc(Cl)c1 ZINC000244386819 1042473193 /nfs/dbraw/zinc/47/31/93/1042473193.db2.gz YEJCXGUYSBTWRG-UHFFFAOYSA-N -1 0 346.235 3.944 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1ccc(-c2ccccc2Cl)o1)C1CCC1 ZINC000663148861 1042494397 /nfs/dbraw/zinc/49/43/97/1042494397.db2.gz VQIXBRBTGVWSAN-CYBMUJFWSA-N -1 0 347.798 3.831 20 0 EHADRM Cc1ccc(-c2cnc(CN(CC(=O)[O-])C3CCCCC3)o2)cc1 ZINC000652481794 1042498568 /nfs/dbraw/zinc/49/85/68/1042498568.db2.gz ANUFRTGBEJYPSN-UHFFFAOYSA-N -1 0 328.412 3.869 20 0 EHADRM C[C@@H](CNC(=O)c1cc(F)c([O-])c(Cl)c1)Oc1ccccc1F ZINC000184454354 1042550045 /nfs/dbraw/zinc/55/00/45/1042550045.db2.gz XVILACMWIQKDLW-VIFPVBQESA-N -1 0 341.741 3.521 20 0 EHADRM CCc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)o1 ZINC000663261893 1042608638 /nfs/dbraw/zinc/60/86/38/1042608638.db2.gz OCDYRLCLYHLRDW-CQSZACIVSA-N -1 0 327.302 3.776 20 0 EHADRM CCCn1nccc1CN[C@@]1(C(=O)[O-])C[C@@H](C(C)C)c2ccccc21 ZINC000663259744 1042609412 /nfs/dbraw/zinc/60/94/12/1042609412.db2.gz HIAZAMBAKOVBEF-PXNSSMCTSA-N -1 0 341.455 3.506 20 0 EHADRM CCOc1ccc(-c2nc(CN(CC)[C@@H](C)C(=O)[O-])cs2)cc1 ZINC000662216276 1042610390 /nfs/dbraw/zinc/61/03/90/1042610390.db2.gz NXFACXNQKSTKRG-LBPRGKRZSA-N -1 0 334.441 3.504 20 0 EHADRM COc1ccc(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)cc1C ZINC001213192809 1042650093 /nfs/dbraw/zinc/65/00/93/1042650093.db2.gz YMOFEGKBTSSUMK-UHFFFAOYSA-N -1 0 328.368 3.551 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[N@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000062876048 1042682105 /nfs/dbraw/zinc/68/21/05/1042682105.db2.gz LULRWKXPWAKAPL-HNNXBMFYSA-N -1 0 332.227 3.559 20 0 EHADRM CCc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)oc1CC ZINC000659194460 1042731864 /nfs/dbraw/zinc/73/18/64/1042731864.db2.gz UEYFIFFATDCBSV-KKUMJFAQSA-N -1 0 333.428 3.510 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccn1 ZINC000187031422 1042746802 /nfs/dbraw/zinc/74/68/02/1042746802.db2.gz RFFLUWGVGNXLGN-UHFFFAOYSA-N -1 0 348.371 3.623 20 0 EHADRM CCSc1ccc(Cl)cc1[N-]C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662580441 1042789098 /nfs/dbraw/zinc/78/90/98/1042789098.db2.gz RNSHISKITVNQEH-UHFFFAOYSA-N -1 0 339.848 3.886 20 0 EHADRM CC(C)Cc1nnc([N-]C(=O)c2cc(-c3ccccc3)no2)s1 ZINC000041759818 1042854912 /nfs/dbraw/zinc/85/49/12/1042854912.db2.gz SBDRMJXFJCILCW-UHFFFAOYSA-N -1 0 328.397 3.644 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)CCc2ccccc2Cl)c2ccccc21 ZINC000653334040 1043016920 /nfs/dbraw/zinc/01/69/20/1043016920.db2.gz WTWJENOCLVGFHQ-RDJZCZTQSA-N -1 0 343.810 3.702 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cncc(C)c2)c(Cl)c1Cl ZINC000432377709 1043028857 /nfs/dbraw/zinc/02/88/57/1043028857.db2.gz LXORZHCKDCKBGT-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CCC(CC)(CC(=O)Nc1ccc(NC(=O)CC(C)C)cc1)C(=O)[O-] ZINC000024941055 1043041720 /nfs/dbraw/zinc/04/17/20/1043041720.db2.gz MIPZOWMODMSTSQ-UHFFFAOYSA-N -1 0 348.443 3.891 20 0 EHADRM CC1=C(C)CN(C(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)CC1 ZINC000432436884 1043220268 /nfs/dbraw/zinc/22/02/68/1043220268.db2.gz NGPWCXLXHPJAEF-UHFFFAOYSA-N -1 0 348.859 3.854 20 0 EHADRM CC(C)(C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1F ZINC000653334667 1043490041 /nfs/dbraw/zinc/49/00/41/1043490041.db2.gz DOZLVNXOAJAEMS-RHSMWYFYSA-N -1 0 341.382 3.533 20 0 EHADRM C[C@@H]1CCCC[C@H]1C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000644873168 1044403963 /nfs/dbraw/zinc/40/39/63/1044403963.db2.gz CIOOORCZEHZBGE-TZMCWYRMSA-N -1 0 340.423 3.577 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3cccnc32)c1 ZINC000112266152 1044596309 /nfs/dbraw/zinc/59/63/09/1044596309.db2.gz ADTBLYRUVIBUGB-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccc2cc[nH]c2c1 ZINC000432658182 1044636459 /nfs/dbraw/zinc/63/64/59/1044636459.db2.gz XNNCHXJBYAUNLV-UHFFFAOYSA-N -1 0 337.404 3.825 20 0 EHADRM C[C@@H](NC(=O)CC1(C(=O)[O-])CCC1)c1cccc(C(F)(F)F)c1 ZINC000261622337 1044720950 /nfs/dbraw/zinc/72/09/50/1044720950.db2.gz CFSPFPGLRKFMAB-SNVBAGLBSA-N -1 0 329.318 3.528 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)CC3(C(=O)[O-])CCC3)c2)cs1 ZINC000261941138 1044764811 /nfs/dbraw/zinc/76/48/11/1044764811.db2.gz UREQORUNIBDTIC-UHFFFAOYSA-N -1 0 330.409 3.702 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)c1ccc(Oc2ccccc2)cc1)C1CC1 ZINC000262619780 1044772059 /nfs/dbraw/zinc/77/20/59/1044772059.db2.gz MLWNLSHIAOXKSE-CYBMUJFWSA-N -1 0 325.364 3.557 20 0 EHADRM O=C(COc1ccccc1F)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000154739449 1125753372 /nfs/dbraw/zinc/75/33/72/1125753372.db2.gz LQJHIOYXUCRGIK-UHFFFAOYSA-N -1 0 330.142 3.856 20 0 EHADRM O=C(NCCc1csc(-c2ccccc2)n1)c1ccc(O)cc1F ZINC000154978054 1125771385 /nfs/dbraw/zinc/77/13/85/1125771385.db2.gz MRGBDYXCNZVFBA-UHFFFAOYSA-N -1 0 342.395 3.627 20 0 EHADRM CCC[C@]1(COC)CCCN1C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000622560365 1126722827 /nfs/dbraw/zinc/72/28/27/1126722827.db2.gz CHXWQENRKDGKGU-MRXNPFEDSA-N -1 0 345.361 3.832 20 0 EHADRM COc1cccc(CNc2cccc(C(=O)[O-])c2C)c1OC(F)F ZINC000336875079 1126813845 /nfs/dbraw/zinc/81/38/45/1126813845.db2.gz AEXHQDLWIFRRQD-UHFFFAOYSA-N -1 0 337.322 3.915 20 0 EHADRM CSc1nc(=NC(=O)c2cc3c(cccc3Cl)s2)s[n-]1 ZINC000623048774 1126866630 /nfs/dbraw/zinc/86/66/30/1126866630.db2.gz BXWZXELWELNPPB-UHFFFAOYSA-N -1 0 341.870 3.802 20 0 EHADRM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000180145492 1127126224 /nfs/dbraw/zinc/12/62/24/1127126224.db2.gz IOUWRZVJQHKSKC-UHFFFAOYSA-N -1 0 335.473 3.772 20 0 EHADRM CC[C@H](C)N(Cc1ccccc1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000387350709 1127354935 /nfs/dbraw/zinc/35/49/35/1127354935.db2.gz YKPFIXJTFKKKCD-HNNXBMFYSA-N -1 0 340.423 3.895 20 0 EHADRM C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H]1c2ccccc2CCC1(C)C ZINC000184734559 1127412301 /nfs/dbraw/zinc/41/23/01/1127412301.db2.gz SRDXYZJIKZKNTD-ZWNOBZJWSA-N -1 0 335.391 3.570 20 0 EHADRM C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H]1c2ccccc2CCC1(C)C ZINC000184734597 1127412557 /nfs/dbraw/zinc/41/25/57/1127412557.db2.gz SRDXYZJIKZKNTD-MFKMUULPSA-N -1 0 335.391 3.570 20 0 EHADRM CC(C)OCc1ccc(NC(=O)c2cc(F)c(F)c([O-])c2F)cc1 ZINC000185437389 1127426576 /nfs/dbraw/zinc/42/65/76/1127426576.db2.gz DXDOVLAETHEARP-UHFFFAOYSA-N -1 0 339.313 3.987 20 0 EHADRM CS(=O)(=O)[N-]c1nc(Cc2ccccc2)c(-c2ccccc2)s1 ZINC000193884112 1127447410 /nfs/dbraw/zinc/44/74/10/1127447410.db2.gz PIOGEQWAZPHHAU-UHFFFAOYSA-N -1 0 344.461 3.772 20 0 EHADRM O=C(NCC1(c2ccc(F)cc2Cl)CC1)c1cccc(F)c1[O-] ZINC001127753193 1127483649 /nfs/dbraw/zinc/48/36/49/1127483649.db2.gz GPLYRKYLFFXOQE-UHFFFAOYSA-N -1 0 337.753 3.785 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)Nc1ccc(Oc2ccccc2)cc1)C1CC1 ZINC000383183274 1127531412 /nfs/dbraw/zinc/53/14/12/1127531412.db2.gz RZPHXGJGJKWUET-CYBMUJFWSA-N -1 0 340.379 3.948 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)C2CCC(C(F)(F)F)CC2)C1 ZINC000325416797 1127574353 /nfs/dbraw/zinc/57/43/53/1127574353.db2.gz GVHHEAVLWKBUGK-BPCQOVAHSA-N -1 0 349.393 3.705 20 0 EHADRM CCC(C)(C)c1ccc(OS(=O)(=O)c2cnc[n-]2)c(Cl)c1 ZINC000765227924 1127586683 /nfs/dbraw/zinc/58/66/83/1127586683.db2.gz LKANXANQEPHEJJ-UHFFFAOYSA-N -1 0 328.821 3.518 20 0 EHADRM Cc1ccc(S[C@@H](C)C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000347493695 1127736704 /nfs/dbraw/zinc/73/67/04/1127736704.db2.gz HXVMHAKZTWAUQP-LSDHHAIUSA-N -1 0 335.469 3.722 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1csc(-c2ccccc2)n1 ZINC000671663424 1127773584 /nfs/dbraw/zinc/77/35/84/1127773584.db2.gz JNWFIAVLDMJBMA-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM Cc1cc(=O)c(COC(=O)c2ccccc2CCc2ccccc2)n[n-]1 ZINC000802170374 1127871271 /nfs/dbraw/zinc/87/12/71/1127871271.db2.gz UZWMHWHRXXPBMJ-UHFFFAOYSA-N -1 0 348.402 3.633 20 0 EHADRM CC(=O)c1csc(NC(=O)c2cc(-c3ccc(C)cc3)no2)n1 ZINC000041785213 1127877957 /nfs/dbraw/zinc/87/79/57/1127877957.db2.gz IDENUYSKIGXABF-UHFFFAOYSA-N -1 0 327.365 3.561 20 0 EHADRM Cc1ccc(CSCCN=c2[n-]nc(C3CCOCC3)s2)cc1 ZINC000338637658 1127956274 /nfs/dbraw/zinc/95/62/74/1127956274.db2.gz VIPHPHKKPTVWEM-UHFFFAOYSA-N -1 0 349.525 3.508 20 0 EHADRM CCCCOc1ccccc1[N-]S(=O)(=O)c1c[nH]c2ncccc12 ZINC000057120188 1128037595 /nfs/dbraw/zinc/03/75/95/1128037595.db2.gz AFCXMLCHVWTUIA-UHFFFAOYSA-N -1 0 345.424 3.543 20 0 EHADRM Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(OCCC(C)C)c1 ZINC000064374052 1128166184 /nfs/dbraw/zinc/16/61/84/1128166184.db2.gz AQEJGVKGDMHYGI-UHFFFAOYSA-N -1 0 338.429 3.517 20 0 EHADRM Cc1ccccc1-c1nc(=N[C@H](C2CC2)C2CCOCC2)s[n-]1 ZINC000624349838 1128168686 /nfs/dbraw/zinc/16/86/86/1128168686.db2.gz YBPWJLLVPPDKQD-MRXNPFEDSA-N -1 0 329.469 3.553 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc3[n-]c(=S)oc3c2)c2ccccc2O1 ZINC000073584810 1128415895 /nfs/dbraw/zinc/41/58/95/1128415895.db2.gz WCOFXRDDQGSPTQ-SNVBAGLBSA-N -1 0 326.377 3.918 20 0 EHADRM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000655036810 1128397535 /nfs/dbraw/zinc/39/75/35/1128397535.db2.gz PTVUZQYSUKKKLF-XVMARJQXSA-N -1 0 348.613 3.906 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1ncc(C(F)(F)F)s1 ZINC000473756945 1128453568 /nfs/dbraw/zinc/45/35/68/1128453568.db2.gz CYDAMFNVLHAKSL-UHFFFAOYSA-N -1 0 336.360 3.525 20 0 EHADRM O=S(=O)(c1cccc(Cl)c1[O-])N1CC[C@H](C2CCCCC2)C1 ZINC001212418314 1128481872 /nfs/dbraw/zinc/48/18/72/1128481872.db2.gz URRSLHXIGPAIFM-ZDUSSCGKSA-N -1 0 343.876 3.637 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1C ZINC000655869612 1128513775 /nfs/dbraw/zinc/51/37/75/1128513775.db2.gz HGRNNCIWKGAVRK-HDEZJCGLSA-N -1 0 346.471 3.799 20 0 EHADRM FC(F)(F)c1n[n-]c(=NCc2c(Cl)cccc2Cl)s1 ZINC000542754579 1128578279 /nfs/dbraw/zinc/57/82/79/1128578279.db2.gz GDBYRJUGRZYGAW-UHFFFAOYSA-N -1 0 328.146 3.898 20 0 EHADRM O=C([O-])c1coc(C(=O)NCC2(c3ccc(Cl)cc3)CCCC2)c1 ZINC000542764941 1128592317 /nfs/dbraw/zinc/59/23/17/1128592317.db2.gz SLCYSZUHUKACFN-UHFFFAOYSA-N -1 0 347.798 3.873 20 0 EHADRM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000405005678 1128705294 /nfs/dbraw/zinc/70/52/94/1128705294.db2.gz YOSYSEKIGDXCHZ-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM CC1(C)CC(=O)c2cc(NC(=O)c3c([O-])cc(F)cc3F)ccc2O1 ZINC000672106890 1128739124 /nfs/dbraw/zinc/73/91/24/1128739124.db2.gz YXBSETDRUBLZIH-UHFFFAOYSA-N -1 0 347.317 3.667 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)CCc1ccc(Cl)cc1Cl ZINC000388434814 1128740884 /nfs/dbraw/zinc/74/08/84/1128740884.db2.gz GHFDZJIWPFYWQO-XJKSGUPXSA-N -1 0 344.238 3.686 20 0 EHADRM O=C(Nc1nc(-c2ccsc2)ns1)c1c([O-])cc(F)cc1F ZINC000109695274 1128746661 /nfs/dbraw/zinc/74/66/61/1128746661.db2.gz NBSILMMSYONGMX-UHFFFAOYSA-N -1 0 339.348 3.503 20 0 EHADRM CCCOc1ccc(N=c2[n-]nc(C(F)(F)F)s2)cc1OC ZINC000624783416 1128746819 /nfs/dbraw/zinc/74/68/19/1128746819.db2.gz NUADVPJZRJSKCS-UHFFFAOYSA-N -1 0 333.335 3.520 20 0 EHADRM C[C@@H](NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000013000390 1128798659 /nfs/dbraw/zinc/79/86/59/1128798659.db2.gz UJTNSTILXGVWSW-ICCXJUOJSA-N -1 0 342.222 3.838 20 0 EHADRM COc1ccccc1-c1cc(NC(=O)c2cc(Cl)ccc2[O-])n[nH]1 ZINC000111100075 1128836257 /nfs/dbraw/zinc/83/62/57/1128836257.db2.gz SWNXOKBANTUBET-UHFFFAOYSA-N -1 0 343.770 3.697 20 0 EHADRM O=C(c1c([O-])cc(F)cc1F)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000111650625 1128878336 /nfs/dbraw/zinc/87/83/36/1128878336.db2.gz NNPUZKYPKQHFKL-LLVKDONJSA-N -1 0 337.753 3.954 20 0 EHADRM O=C(NCC1CSC1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC001648786605 1120014901 /nfs/dbraw/zinc/01/49/01/1120014901.db2.gz RHUYCPFMLKDQCI-UHFFFAOYSA-N -1 0 333.840 3.805 20 0 EHADRM O=C(NCc1c(Cl)cccc1Cl)c1cccc([N+](=O)[O-])c1[O-] ZINC000220978852 1120047698 /nfs/dbraw/zinc/04/76/98/1120047698.db2.gz WCYUKTDUGXGQNW-UHFFFAOYSA-N -1 0 341.150 3.537 20 0 EHADRM Cc1ccc(CNC(=O)c2cc(Cl)cc(Br)c2[O-])o1 ZINC001648947573 1120250773 /nfs/dbraw/zinc/25/07/73/1120250773.db2.gz XVQLCJUDQJRDOQ-UHFFFAOYSA-N -1 0 344.592 3.640 20 0 EHADRM CC[C@H](NCc1ccc(Cl)c(Cl)c1)c1nc(C(=O)[O-])c[nH]1 ZINC000904065695 1120351568 /nfs/dbraw/zinc/35/15/68/1120351568.db2.gz UZAUEAAARBXFJY-NSHDSACASA-N -1 0 328.199 3.656 20 0 EHADRM CSc1ccccc1[C@@H](C)NC(=O)c1s[n-]c(=O)c1Cl ZINC001626012626 1120562213 /nfs/dbraw/zinc/56/22/13/1120562213.db2.gz MLAZUWQZXMZBOK-SSDOTTSWSA-N -1 0 328.846 3.715 20 0 EHADRM Cc1occc1S([O-])=CC(=O)N(CCC(C)C)CCC(C)C ZINC000189625103 1120602163 /nfs/dbraw/zinc/60/21/63/1120602163.db2.gz GWVIYBNOFIBRKK-JOCHJYFZSA-N -1 0 327.490 3.616 20 0 EHADRM CC(C)(C)C[C@@H]([N-]S(=O)(=O)CCc1cccs1)C(F)(F)F ZINC000189802673 1120611958 /nfs/dbraw/zinc/61/19/58/1120611958.db2.gz SVPQTTBUQXLLFB-LLVKDONJSA-N -1 0 343.436 3.577 20 0 EHADRM Cc1noc(C)c1S(=O)(=O)[N-]c1cc(Cl)c(F)c(Cl)c1 ZINC000191803114 1120696116 /nfs/dbraw/zinc/69/61/16/1120696116.db2.gz PRWAQILDSOWLLA-UHFFFAOYSA-N -1 0 339.175 3.538 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCC(Cc2ccccc2)CC1 ZINC000193914105 1120807734 /nfs/dbraw/zinc/80/77/34/1120807734.db2.gz SBUUEJQJTFSYPB-UHFFFAOYSA-N -1 0 349.352 3.904 20 0 EHADRM CCCOc1ccc(F)cc1Nc1ccc(S(=O)(=O)[O-])cc1 ZINC001212200271 1120888562 /nfs/dbraw/zinc/88/85/62/1120888562.db2.gz ULGUCJLENQHRBW-UHFFFAOYSA-N -1 0 325.361 3.605 20 0 EHADRM O=C([O-])CCCCNC(=O)C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000262327968 1120899462 /nfs/dbraw/zinc/89/94/62/1120899462.db2.gz GFZCYOMAYZIKMW-LJQANCHMSA-N -1 0 339.435 3.774 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)/C=C\c2ccc3ccccc3n2)cc1 ZINC000914731388 1120966777 /nfs/dbraw/zinc/96/67/77/1120966777.db2.gz RGJYJNIHSLXGKG-QJEIIOHGSA-N -1 0 344.370 3.985 20 0 EHADRM COCCOc1cccc(-c2noc(-c3cccc(Cl)c3[O-])n2)c1 ZINC000761822485 1120970689 /nfs/dbraw/zinc/97/06/89/1120970689.db2.gz POVJZFMUENLMBN-UHFFFAOYSA-N -1 0 346.770 3.788 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000232764117 1121150176 /nfs/dbraw/zinc/15/01/76/1121150176.db2.gz SEMKSCRLZPEJJX-OAHLLOKOSA-N -1 0 330.211 3.566 20 0 EHADRM COc1cccc(C2(C(=O)Nc3cc(Cl)c([O-])cc3F)CC2)c1 ZINC000672485362 1128990190 /nfs/dbraw/zinc/99/01/90/1128990190.db2.gz NEGHMJNPQGTMAS-UHFFFAOYSA-N -1 0 335.762 3.864 20 0 EHADRM CCCc1cc(C(=O)NCc2ccc(C(=O)[O-])c(OC)c2)sc1C ZINC000236902522 1121468364 /nfs/dbraw/zinc/46/83/64/1121468364.db2.gz NOYARMIKUOMSLS-UHFFFAOYSA-N -1 0 347.436 3.646 20 0 EHADRM CCc1ccc(CCC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000237165860 1121475095 /nfs/dbraw/zinc/47/50/95/1121475095.db2.gz GYHAXXLSALCCEU-YWZLYKJASA-N -1 0 339.435 3.760 20 0 EHADRM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000237662855 1121490648 /nfs/dbraw/zinc/49/06/48/1121490648.db2.gz JIHFMVSIQGUBLK-VIFPVBQESA-N -1 0 337.734 3.583 20 0 EHADRM Cc1ccc(CCC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c(C)c1 ZINC000237657588 1121490872 /nfs/dbraw/zinc/49/08/72/1121490872.db2.gz NPTJHIIVZHUKAQ-OXQOHEQNSA-N -1 0 339.435 3.814 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCC(c2ccccc2)c2ccccc2)cc1 ZINC000238007917 1121500416 /nfs/dbraw/zinc/50/04/16/1121500416.db2.gz IJRJWZKIRHQQME-UHFFFAOYSA-N -1 0 345.398 3.947 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCc1ccc(Cl)s1 ZINC000262492656 1121571958 /nfs/dbraw/zinc/57/19/58/1121571958.db2.gz ZRYLMYCCDMOLER-UHTWSYAYSA-N -1 0 341.860 3.578 20 0 EHADRM Cc1noc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1C ZINC000026472566 1121657464 /nfs/dbraw/zinc/65/74/64/1121657464.db2.gz SZJKGOUNLCLNNW-UHFFFAOYSA-N -1 0 328.393 3.759 20 0 EHADRM CC(C)(C)OC(=O)Nc1csc(-c2ccc(C(=O)[O-])cc2CO)c1 ZINC000496121326 1121696315 /nfs/dbraw/zinc/69/63/15/1121696315.db2.gz JFYIMRFBVBKBBB-UHFFFAOYSA-N -1 0 349.408 3.953 20 0 EHADRM Cc1sc(-c2cnn([C@H](C)CC(=O)[O-])c2)cc1Br ZINC000901080096 1121729954 /nfs/dbraw/zinc/72/99/54/1121729954.db2.gz MZLDQYTZYCPHMB-SSDOTTSWSA-N -1 0 329.219 3.718 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1cccc2ccccc21 ZINC000326178354 1121807437 /nfs/dbraw/zinc/80/74/37/1121807437.db2.gz SRAGOZJEYWAVLR-UHFFFAOYSA-N -1 0 341.388 3.647 20 0 EHADRM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2OCC(C)C)c1 ZINC000055652034 1121851795 /nfs/dbraw/zinc/85/17/95/1121851795.db2.gz DOAAUXGCFCJZQH-UHFFFAOYSA-N -1 0 347.436 3.725 20 0 EHADRM O=C([O-])c1cc(NC(=O)Cc2ccc(C(F)(F)F)cc2)ccc1F ZINC000324480722 1121926270 /nfs/dbraw/zinc/92/62/70/1121926270.db2.gz MDVAIKUCAWTPPO-UHFFFAOYSA-N -1 0 341.260 3.724 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cccc2ccccc21)c1cccs1 ZINC000013389418 1129023972 /nfs/dbraw/zinc/02/39/72/1129023972.db2.gz IYDNWVKFVUMBQZ-HNNXBMFYSA-N -1 0 325.389 3.847 20 0 EHADRM COc1ccc2nc(-c3nc(OC(C)C)ccc3Cl)[n-]c(=O)c2c1 ZINC000065278994 1129028578 /nfs/dbraw/zinc/02/85/78/1129028578.db2.gz RUBXQFSRJAXEAQ-UHFFFAOYSA-N -1 0 345.786 3.847 20 0 EHADRM CC(C)(C)c1ccc(CSCC(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000916641568 1122237011 /nfs/dbraw/zinc/23/70/11/1122237011.db2.gz SWUOOMHYTYNZFN-UHFFFAOYSA-N -1 0 349.496 3.541 20 0 EHADRM O=C(Nc1nccs1)c1cc(Br)cc(Cl)c1[O-] ZINC000124070186 1122274679 /nfs/dbraw/zinc/27/46/79/1122274679.db2.gz IAHHCDPVPFNTRQ-UHFFFAOYSA-N -1 0 333.594 3.517 20 0 EHADRM CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(Cl)cc2[O-])c1 ZINC000124757781 1122295304 /nfs/dbraw/zinc/29/53/04/1122295304.db2.gz PILJGJFSEGBBBL-UHFFFAOYSA-N -1 0 339.178 3.910 20 0 EHADRM CN(C)c1cccc([C@@H]2CCCN2C(=O)c2c([O-])cccc2F)c1 ZINC000125178553 1122307748 /nfs/dbraw/zinc/30/77/48/1122307748.db2.gz PXILPVWHRUKNDQ-INIZCTEOSA-N -1 0 328.387 3.575 20 0 EHADRM O=S(=O)([N-]c1cc(F)ccc1O)c1cccc(Cl)c1Cl ZINC000125203902 1122309061 /nfs/dbraw/zinc/30/90/61/1122309061.db2.gz INSLDYIJTYUSLV-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM O=S(=O)([N-]c1ccc(F)c(F)c1F)c1c(F)cccc1Cl ZINC000125280337 1122311221 /nfs/dbraw/zinc/31/12/21/1122311221.db2.gz SGKOLJUZXJFGGH-UHFFFAOYSA-N -1 0 339.697 3.697 20 0 EHADRM COCCOc1c(Cl)cccc1NC(=O)c1cccc(C)c1O ZINC000125713377 1122327218 /nfs/dbraw/zinc/32/72/18/1122327218.db2.gz IJJSTTATGDNZAG-UHFFFAOYSA-N -1 0 335.787 3.632 20 0 EHADRM CCc1cc(=O)[nH]c(CSCc2coc(-c3cccs3)n2)n1 ZINC000125734308 1122329670 /nfs/dbraw/zinc/32/96/70/1122329670.db2.gz SZNJLCJQLJNTIQ-UHFFFAOYSA-N -1 0 333.438 3.895 20 0 EHADRM CC(C)Oc1cc(F)c(F)cc1Nc1cccc(S(=O)(=O)[O-])c1 ZINC001212225057 1122522808 /nfs/dbraw/zinc/52/28/08/1122522808.db2.gz MKLVDUJUKWNWJI-UHFFFAOYSA-N -1 0 343.351 3.742 20 0 EHADRM CC(C)Oc1cc(F)c(F)cc1Nc1ccc(S(=O)(=O)[O-])cc1 ZINC001212227686 1122601391 /nfs/dbraw/zinc/60/13/91/1122601391.db2.gz WXTPXHUQLUUNIK-UHFFFAOYSA-N -1 0 343.351 3.742 20 0 EHADRM COCCN=c1[n-]nc(S[C@@H](C)c2ccc(Cl)cc2)s1 ZINC000497671461 1122628180 /nfs/dbraw/zinc/62/81/80/1122628180.db2.gz OEMONMLJNOOETH-VIFPVBQESA-N -1 0 329.878 3.525 20 0 EHADRM C[C@H](C(=O)[O-])N(C)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000262674887 1122706287 /nfs/dbraw/zinc/70/62/87/1122706287.db2.gz TUFJTNHYMQPDJR-SECBINFHSA-N -1 0 344.358 3.734 20 0 EHADRM Cc1ccc(-c2cc(C(=O)OCCO[C@H]3CCCC[C@H]3C)n[nH]2)o1 ZINC000919328990 1123022622 /nfs/dbraw/zinc/02/26/22/1123022622.db2.gz KDIYHUPGQKBJAG-WBMJQRKESA-N -1 0 332.400 3.730 20 0 EHADRM CCn1c2ccc(F)cc2nc1NC(=O)c1cccc(Cl)c1[O-] ZINC001127484048 1123040014 /nfs/dbraw/zinc/04/00/14/1123040014.db2.gz MPSLTHZIEJXHKQ-UHFFFAOYSA-N -1 0 333.750 3.807 20 0 EHADRM C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2Br)CC[C@H]1C(=O)[O-] ZINC000311381176 1129099048 /nfs/dbraw/zinc/09/90/48/1129099048.db2.gz NBCUUCRFDKTIBJ-BXKDBHETSA-N -1 0 346.652 3.645 20 0 EHADRM Cc1ccccc1[C@H](CC(C)C)N=c1[n-]c(C2CCOCC2)no1 ZINC000556839996 1123145545 /nfs/dbraw/zinc/14/55/45/1123145545.db2.gz JCCKCQGCCLEITP-KRWDZBQOSA-N -1 0 329.444 3.893 20 0 EHADRM CC(C)n1nc(-c2ccccc2)cc1[N-]S(=O)(=O)c1cccs1 ZINC000073314550 1123196418 /nfs/dbraw/zinc/19/64/18/1123196418.db2.gz WYGURPRJSSKZRS-UHFFFAOYSA-N -1 0 347.465 3.993 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3C)nn2C)cc1 ZINC000074804944 1123331299 /nfs/dbraw/zinc/33/12/99/1123331299.db2.gz GZKUFWPPIIPMEE-UHFFFAOYSA-N -1 0 341.436 3.505 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccno2)cc1 ZINC000499334869 1123354151 /nfs/dbraw/zinc/35/41/51/1123354151.db2.gz RIJRMKCRCKOBOH-UHFFFAOYSA-N -1 0 328.393 3.705 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2sccc2C)cc1Cl ZINC000543023312 1129121320 /nfs/dbraw/zinc/12/13/20/1129121320.db2.gz SUJLRJJRQNICDD-UHFFFAOYSA-N -1 0 329.830 3.713 20 0 EHADRM CC(C)CCOc1ccc(C(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000236783342 1123466034 /nfs/dbraw/zinc/46/60/34/1123466034.db2.gz CJEAQEVSTWVISX-UHFFFAOYSA-N -1 0 341.407 3.991 20 0 EHADRM CC(C)Oc1cccc([C@H](C)NC(=O)c2c([O-])cc(F)cc2F)c1 ZINC000066046425 1129126321 /nfs/dbraw/zinc/12/63/21/1129126321.db2.gz CATCXPUYMKLBAT-NSHDSACASA-N -1 0 335.350 3.949 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)c1ccc(OCC2CCCCC2)cc1 ZINC000237423914 1123517550 /nfs/dbraw/zinc/51/75/50/1123517550.db2.gz FQLYURRHNDKFHZ-CQSZACIVSA-N -1 0 333.428 3.629 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1ccc(C(=O)[O-])o1 ZINC000237524435 1123522851 /nfs/dbraw/zinc/52/28/51/1123522851.db2.gz MKJGRKGOTYAGHH-MRVPVSSYSA-N -1 0 342.178 3.646 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H](c2cccc(F)c2)C2CCCC2)o1 ZINC000238027309 1123556564 /nfs/dbraw/zinc/55/65/64/1123556564.db2.gz VIZLGXDEDCBYKD-INIZCTEOSA-N -1 0 331.343 3.778 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)[C@@H]2C[C@H]2c2c(F)cccc2Cl)cc1 ZINC000238116839 1123563138 /nfs/dbraw/zinc/56/31/38/1123563138.db2.gz SEVPZTQIHVSQHV-CHWSQXEVSA-N -1 0 347.773 3.597 20 0 EHADRM Cc1cc(=O)[nH]c(-c2ccc(NC(=O)C=Cc3ccccc3F)cc2)n1 ZINC000064359355 1123582873 /nfs/dbraw/zinc/58/28/73/1123582873.db2.gz JWAXORILXMMIBD-DHZHZOJOSA-N -1 0 349.365 3.536 20 0 EHADRM Cc1noc(C2CC2)c1NC(=O)c1ccc(Br)c([O-])c1 ZINC000135593246 1123630095 /nfs/dbraw/zinc/63/00/95/1123630095.db2.gz WQMLGHMDOYXNOQ-UHFFFAOYSA-N -1 0 337.173 3.581 20 0 EHADRM CCCn1nccc1[N-]S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000066253241 1129143008 /nfs/dbraw/zinc/14/30/08/1129143008.db2.gz AKJPVSGHQIMPKO-UHFFFAOYSA-N -1 0 341.436 3.761 20 0 EHADRM Cc1cc(C(=O)NCC(C)(C)C(=O)[O-])c(C)n1-c1ccc(Cl)cc1 ZINC000237578668 1123780031 /nfs/dbraw/zinc/78/00/31/1123780031.db2.gz HMDUGZDHPXSNHT-UHFFFAOYSA-N -1 0 348.830 3.588 20 0 EHADRM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)CCCCC(=O)[O-] ZINC000263334462 1123806221 /nfs/dbraw/zinc/80/62/21/1123806221.db2.gz VYLLVLSNEPTYJC-GFCCVEGCSA-N -1 0 326.462 3.739 20 0 EHADRM COc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2[O-])cc1OC ZINC000179723878 1123834560 /nfs/dbraw/zinc/83/45/60/1123834560.db2.gz QVUUKCINVHZDIQ-VQHVLOKHSA-N -1 0 333.771 3.715 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CCC[C@@H]2CCc2ccccc2)C1 ZINC000180112416 1123947157 /nfs/dbraw/zinc/94/71/57/1123947157.db2.gz PPWQPLHOSNFLII-FGTMMUONSA-N -1 0 329.440 3.501 20 0 EHADRM C[C@@H]1CCC(C)(C)N1C(=O)c1cc(Br)c(F)cc1[O-] ZINC000616165603 1123954828 /nfs/dbraw/zinc/95/48/28/1123954828.db2.gz LSEWGSBZDWGFFR-MRVPVSSYSA-N -1 0 330.197 3.697 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)Cc1cccc2ccccc21 ZINC000238096709 1123979451 /nfs/dbraw/zinc/97/94/51/1123979451.db2.gz NAIPTAJFIXMWEG-UHFFFAOYSA-N -1 0 327.424 3.924 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)c2cccc(Cl)c2C)sc1C(=O)[O-] ZINC000263532926 1124014718 /nfs/dbraw/zinc/01/47/18/1124014718.db2.gz NGNSVGUYLFIPQA-SECBINFHSA-N -1 0 338.816 3.603 20 0 EHADRM C[C@@H]1CSc2ccccc2N(C(=O)c2s[n-]c(=O)c2Cl)C1 ZINC000616827321 1124041533 /nfs/dbraw/zinc/04/15/33/1124041533.db2.gz CBCRUPOLMQQDEL-QMMMGPOBSA-N -1 0 340.857 3.891 20 0 EHADRM CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCC(C)(C)C(=O)[O-] ZINC000263550756 1124081497 /nfs/dbraw/zinc/08/14/97/1124081497.db2.gz WGLUESGSBDJXKU-GFCCVEGCSA-N -1 0 345.361 3.501 20 0 EHADRM O=C(N[C@@H](c1ccccc1)C1CCOCC1)c1c([O-])cc(F)cc1F ZINC000734555465 1131252233 /nfs/dbraw/zinc/25/22/33/1131252233.db2.gz UIJSMPUVMXXIBF-SFHVURJKSA-N -1 0 347.361 3.568 20 0 EHADRM CC(C)c1cccc(-c2ccc(C([O-])=C(C#N)C(=O)NC3CC3)o2)c1 ZINC000181100921 1124524451 /nfs/dbraw/zinc/52/44/51/1124524451.db2.gz DIHNLPKJVYWITP-INIZCTEOSA-N -1 0 336.391 3.671 20 0 EHADRM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000084919791 1124604864 /nfs/dbraw/zinc/60/48/64/1124604864.db2.gz CVGSJDPFNRMSRK-UHFFFAOYSA-N -1 0 330.409 3.608 20 0 EHADRM CC(C)Oc1ccc(F)c(Nc2cccc(S(=O)(=O)[O-])c2)c1 ZINC001212312866 1124616900 /nfs/dbraw/zinc/61/69/00/1124616900.db2.gz VGGIPBZGSKMBRC-UHFFFAOYSA-N -1 0 325.361 3.603 20 0 EHADRM Cc1csc2nc(C)nc(N3CCC[C@@H](C(C)(C)C(=O)[O-])C3)c12 ZINC000649405629 1124686260 /nfs/dbraw/zinc/68/62/60/1124686260.db2.gz DEDFFJXLNPDXPO-GFCCVEGCSA-N -1 0 333.457 3.635 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1C(=O)Nc1ccccc1OCc1ccccc1 ZINC000381210101 1124768957 /nfs/dbraw/zinc/76/89/57/1124768957.db2.gz UELZIVWYVYCNKV-JKSUJKDBSA-N -1 0 339.391 3.705 20 0 EHADRM CCCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1cccc(C)c1 ZINC000735203610 1131316580 /nfs/dbraw/zinc/31/65/80/1131316580.db2.gz INUJFMWYSAAFDH-OAHLLOKOSA-N -1 0 325.474 3.797 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)c2occc2-c2ccccc2)c1 ZINC000069569974 1124903820 /nfs/dbraw/zinc/90/38/20/1124903820.db2.gz XDYGVVIZLYIONU-UHFFFAOYSA-N -1 0 341.388 3.949 20 0 EHADRM Cc1c(C(=O)N=c2nc(CC(C)C)[n-]s2)sc2nccc(C)c12 ZINC000618346843 1125057117 /nfs/dbraw/zinc/05/71/17/1125057117.db2.gz JNAKKSOLDPVHIR-UHFFFAOYSA-N -1 0 346.481 3.637 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)[C@H](C)Cc1cccc(F)c1 ZINC000181882305 1125076790 /nfs/dbraw/zinc/07/67/90/1125076790.db2.gz FORYUAJNZSRDQF-RDTXWAMCSA-N -1 0 343.398 3.645 20 0 EHADRM O=c1c2c([n-]n1-c1cc(C(F)(F)F)ccc1Br)CCC2 ZINC000634613397 1125239828 /nfs/dbraw/zinc/23/98/28/1125239828.db2.gz WYCDCYQENRCIDZ-QMMMGPOBSA-N -1 0 347.134 3.971 20 0 EHADRM CSCc1ccc(NC(=O)N(CC(=O)[O-])C2CCCCC2)cc1 ZINC000619543936 1125363451 /nfs/dbraw/zinc/36/34/51/1125363451.db2.gz FANWUFOJEOJOLD-UHFFFAOYSA-N -1 0 336.457 3.801 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)OC)cc1 ZINC000619568209 1125363889 /nfs/dbraw/zinc/36/38/89/1125363889.db2.gz BUGSVAKEEYHAKP-UHFFFAOYSA-N -1 0 347.436 3.535 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000261895426 1125389090 /nfs/dbraw/zinc/38/90/90/1125389090.db2.gz OGSYTAXXZAMZMK-NEPJUHHUSA-N -1 0 329.318 3.621 20 0 EHADRM COc1cc2c(cc1NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-])oc1ccccc12 ZINC000262258878 1125417343 /nfs/dbraw/zinc/41/73/43/1125417343.db2.gz XJKGKBRNHSAURL-NEPJUHHUSA-N -1 0 339.347 3.644 20 0 EHADRM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)[C@H]1CCCc2ccccc21 ZINC000068297232 1129359242 /nfs/dbraw/zinc/35/92/42/1129359242.db2.gz AUEGNSJPLXFVLW-INIZCTEOSA-N -1 0 335.363 3.501 20 0 EHADRM CC(C)N(Cc1cccc(F)c1)C(=O)c1n[n-]c2ccccc2c1=O ZINC000735653035 1131369087 /nfs/dbraw/zinc/36/90/87/1131369087.db2.gz XINZTHHLIRHEEG-UHFFFAOYSA-N -1 0 339.370 3.525 20 0 EHADRM CC(C)CCN(C(=O)c1n[n-]c2ccccc2c1=O)C1CCCC1 ZINC000735655913 1131370041 /nfs/dbraw/zinc/37/00/41/1131370041.db2.gz KPSQRSWLUCFIBJ-UHFFFAOYSA-N -1 0 327.428 3.766 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N2CC[C@H](c3cccc(C)c3)C2)s1 ZINC000543285221 1129387954 /nfs/dbraw/zinc/38/79/54/1129387954.db2.gz UWQMUAMLQPBDKS-HNNXBMFYSA-N -1 0 344.484 3.632 20 0 EHADRM Cc1c(Cl)cccc1N=c1[n-]nc(SCC2(O)CCC2)s1 ZINC000466368000 1129407167 /nfs/dbraw/zinc/40/71/67/1129407167.db2.gz CWMNABOGTIEHKW-UHFFFAOYSA-N -1 0 341.889 3.673 20 0 EHADRM O=S(=O)([N-]C[C@@H]1CCCC(F)(F)C1)c1c(F)cccc1Cl ZINC000499765109 1129468316 /nfs/dbraw/zinc/46/83/16/1129468316.db2.gz SHCGPQYYXBBVLQ-SECBINFHSA-N -1 0 341.782 3.583 20 0 EHADRM C[C@H](OC(=O)c1c(F)cc([O-])cc1F)C(=O)c1ccc2c(c1)CCC2 ZINC000735951592 1131393372 /nfs/dbraw/zinc/39/33/72/1131393372.db2.gz JXBFGCJOSQUGCG-JTQLQIEISA-N -1 0 346.329 3.587 20 0 EHADRM CCCCOc1ccc(CN=c2[n-]nc(C3CC3)s2)cc1OC ZINC000347794830 1129802863 /nfs/dbraw/zinc/80/28/63/1129802863.db2.gz MNDSVTBXLGUNAQ-UHFFFAOYSA-N -1 0 333.457 3.637 20 0 EHADRM Nc1cc(Cl)nc(Cl)c1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212511253 1129879001 /nfs/dbraw/zinc/87/90/01/1129879001.db2.gz ZIRFOSGZXLMNRB-UHFFFAOYSA-N -1 0 334.109 3.691 20 0 EHADRM O=C([O-])c1ccc(Nc2nc(F)c(F)c(Cl)c2F)c(F)c1F ZINC001212512508 1129921155 /nfs/dbraw/zinc/92/11/55/1129921155.db2.gz PLAJNKIWFZIQPM-UHFFFAOYSA-N -1 0 338.619 3.872 20 0 EHADRM Cc1nccn1Cc1ccc(Nc2ccc(C(=O)[O-])c(F)c2F)cc1 ZINC001212513311 1129924312 /nfs/dbraw/zinc/92/43/12/1129924312.db2.gz KLAGADIGLLIUFJ-UHFFFAOYSA-N -1 0 343.333 3.960 20 0 EHADRM C[C@H](NC(=O)C[C@@H](C(=O)[O-])c1ccccc1)c1c(F)cccc1Cl ZINC000674410884 1130086305 /nfs/dbraw/zinc/08/63/05/1130086305.db2.gz LOFPWNKGSYCNDJ-WCQYABFASA-N -1 0 349.789 3.915 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000674682019 1130172170 /nfs/dbraw/zinc/17/21/70/1130172170.db2.gz ABPBFQBFEPVMSP-KBPBESRZSA-N -1 0 341.329 3.787 20 0 EHADRM Cc1ccc(-c2nc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)n[nH]2)o1 ZINC000675707864 1130455848 /nfs/dbraw/zinc/45/58/48/1130455848.db2.gz AZPQIDNSERRQMA-UHFFFAOYSA-N -1 0 341.758 3.760 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)N(CCC(=O)[O-])CC1CC1 ZINC000675969383 1130511959 /nfs/dbraw/zinc/51/19/59/1130511959.db2.gz BZGUPVFPFVNYGI-LLVKDONJSA-N -1 0 341.860 3.534 20 0 EHADRM C[C@H](CC(=O)N(CC(=O)[O-])CC1CC1)c1cccc(C(F)(F)F)c1 ZINC000675974339 1130513760 /nfs/dbraw/zinc/51/37/60/1130513760.db2.gz MROHEFDUBLZCOS-LLVKDONJSA-N -1 0 343.345 3.522 20 0 EHADRM Cc1ccc(NC(=O)c2cnc(OC(C)C)c(Cl)c2)cc1C(=O)[O-] ZINC000676026784 1130517974 /nfs/dbraw/zinc/51/79/74/1130517974.db2.gz SEYLOPGPWFVYPA-UHFFFAOYSA-N -1 0 348.786 3.781 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)N2CCC[C@H](CC(=O)[O-])C2)ccc1C(C)C ZINC000676218338 1130546556 /nfs/dbraw/zinc/54/65/56/1130546556.db2.gz MUKMGXRXLJUTNJ-HZPDHXFCSA-N -1 0 347.455 3.599 20 0 EHADRM CCCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(C)c1 ZINC000727951527 1130612573 /nfs/dbraw/zinc/61/25/73/1130612573.db2.gz VNPCFMWABJUYBJ-HNNXBMFYSA-N -1 0 325.474 3.797 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)c2sccc2C2CC2)cc1 ZINC000729887487 1130652458 /nfs/dbraw/zinc/65/24/58/1130652458.db2.gz ZKIIGPRPWZJLBG-UHFFFAOYSA-N -1 0 349.477 3.697 20 0 EHADRM CC(C)(C)CS(=O)(=O)[N-]C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000733059172 1130990326 /nfs/dbraw/zinc/99/03/26/1130990326.db2.gz DXLONMKJWCXPRM-UHFFFAOYSA-N -1 0 347.436 3.585 20 0 EHADRM COc1cc(Cl)c(C)cc1NC(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000032496808 1131027081 /nfs/dbraw/zinc/02/70/81/1131027081.db2.gz TVFZPMJANYZREK-CYBMUJFWSA-N -1 0 347.798 3.854 20 0 EHADRM Cc1cc(SCC(=O)[N-]OC(C)C)c(C)cc1Br ZINC000379127531 1131170141 /nfs/dbraw/zinc/17/01/41/1131170141.db2.gz ZGEVIDVFLAKCNC-UHFFFAOYSA-N -1 0 332.263 3.614 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)Cc2ccccc2C(F)(F)F)cc1 ZINC000738556236 1131471805 /nfs/dbraw/zinc/47/18/05/1131471805.db2.gz AKGZEGIEOUWVMM-YFHOEESVSA-N -1 0 349.308 3.984 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)[N-]S(=O)(=O)c2cccc(C)c2)cc1 ZINC000739138234 1131493308 /nfs/dbraw/zinc/49/33/08/1131493308.db2.gz GRIPYALXMYMHHJ-HNNXBMFYSA-N -1 0 345.464 3.556 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)c2cccc(C)c2)cc1 ZINC000740528205 1131534856 /nfs/dbraw/zinc/53/48/56/1131534856.db2.gz CTJOWIJIRYCQGT-HNNXBMFYSA-N -1 0 345.464 3.556 20 0 EHADRM CC(C)(C)CS(=O)(=O)[N-]C(=O)c1cccc(Nc2ccccc2)c1 ZINC000741118038 1131578545 /nfs/dbraw/zinc/57/85/45/1131578545.db2.gz CCEWMFMQEOITAZ-UHFFFAOYSA-N -1 0 346.452 3.536 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)n[nH]1 ZINC000743047137 1131843675 /nfs/dbraw/zinc/84/36/75/1131843675.db2.gz RJVPMZSIHHMJRD-UHFFFAOYSA-N -1 0 335.473 3.806 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)sc1C ZINC000773365737 1132002295 /nfs/dbraw/zinc/00/22/95/1132002295.db2.gz VSTNYEGMTDYFHK-UHFFFAOYSA-N -1 0 336.482 3.766 20 0 EHADRM CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000744007741 1132007950 /nfs/dbraw/zinc/00/79/50/1132007950.db2.gz LXXHCHQKVSRYJA-LBPRGKRZSA-N -1 0 331.865 3.751 20 0 EHADRM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1)c1ccccc1 ZINC000744165162 1132030374 /nfs/dbraw/zinc/03/03/74/1132030374.db2.gz KYOQIUNRYVIHRT-MAUKXSAKSA-N -1 0 345.464 3.633 20 0 EHADRM CCn1c(=O)c2ccc(C(=O)OCCC(C)(C)CC)cc2[n-]c1=S ZINC000744340502 1132076831 /nfs/dbraw/zinc/07/68/31/1132076831.db2.gz AHMOHVSYBYZNQS-UHFFFAOYSA-N -1 0 348.468 3.688 20 0 EHADRM COc1cccc(Nc2cc(Cl)c(C)cc2S(=O)(=O)[O-])c1F ZINC001173972386 1132204513 /nfs/dbraw/zinc/20/45/13/1132204513.db2.gz GSJDRVOZTMURHT-UHFFFAOYSA-N -1 0 345.779 3.786 20 0 EHADRM COCc1cccc(Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)c1 ZINC001174094837 1132225815 /nfs/dbraw/zinc/22/58/15/1132225815.db2.gz PSOPCHGDMPFIEJ-UHFFFAOYSA-N -1 0 343.404 3.977 20 0 EHADRM Cn1ccc2cc(Nc3ccc(S(=O)(=O)[O-])cc3Cl)ccc21 ZINC001174100148 1132227589 /nfs/dbraw/zinc/22/75/89/1132227589.db2.gz UPHGDMNJZDEVNU-UHFFFAOYSA-N -1 0 336.800 3.822 20 0 EHADRM Cc1ccc(F)c(Nc2ccc3c(O)cc(S(=O)(=O)[O-])cc3c2)c1 ZINC001174113772 1132231825 /nfs/dbraw/zinc/23/18/25/1132231825.db2.gz GVODCDXMAZACAF-UHFFFAOYSA-N -1 0 347.367 3.983 20 0 EHADRM COc1cc(Nc2cccc(C(=O)N3CCCC3)c2)ccc1[S-] ZINC001174172679 1132267939 /nfs/dbraw/zinc/26/79/39/1132267939.db2.gz ORBXGECEKKSVAO-UHFFFAOYSA-N -1 0 328.437 3.964 20 0 EHADRM COc1ccc(F)c(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)c1 ZINC001174209534 1132286782 /nfs/dbraw/zinc/28/67/82/1132286782.db2.gz WOLBOTQMYUIPGT-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM O=S(=O)([O-])c1ccc(Cl)c(Nc2cccc(-n3cccn3)c2)c1 ZINC001174304119 1132300050 /nfs/dbraw/zinc/30/00/50/1132300050.db2.gz WKBDVSUSOXHDRP-UHFFFAOYSA-N -1 0 349.799 3.516 20 0 EHADRM CCCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000745969605 1132341194 /nfs/dbraw/zinc/34/11/94/1132341194.db2.gz WZGMVQIQWSVXJT-CYBMUJFWSA-N -1 0 343.464 3.936 20 0 EHADRM Cc1cc(Br)cnc1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174495026 1132371530 /nfs/dbraw/zinc/37/15/30/1132371530.db2.gz ZSHRAPMHHSHDKD-AATRIKPKSA-N -1 0 333.185 3.994 20 0 EHADRM COc1ccc(-n2nccc2Nc2cccc(/C=C/C(=O)[O-])c2)cc1 ZINC001174495944 1132372323 /nfs/dbraw/zinc/37/23/23/1132372323.db2.gz XRVISSFVGQZYAK-BJMVGYQFSA-N -1 0 335.363 3.722 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2ccc(OCC(F)(F)F)nc2)c1 ZINC001174495889 1132372425 /nfs/dbraw/zinc/37/24/25/1132372425.db2.gz ZXNXVEOVCMLCOE-QPJJXVBHSA-N -1 0 338.285 3.864 20 0 EHADRM CN(c1cccc(/C=C/C(=O)[O-])c1)c1c(N)cccc1Br ZINC001174499642 1132374114 /nfs/dbraw/zinc/37/41/14/1132374114.db2.gz HUUWZTMYIWKQSZ-CMDGGOBGSA-N -1 0 347.212 3.897 20 0 EHADRM Cc1cccc(OC[C@@H](C)NC(=O)c2ccc3[n-]c(=S)oc3c2)c1 ZINC000746155743 1132385042 /nfs/dbraw/zinc/38/50/42/1132385042.db2.gz PZQWLTPFPCCTOM-GFCCVEGCSA-N -1 0 342.420 3.622 20 0 EHADRM Cc1cc(C)c(Nc2ccc3ccn(C)c3c2)c(S(=O)(=O)[O-])c1 ZINC001174517679 1132397185 /nfs/dbraw/zinc/39/71/85/1132397185.db2.gz RSUFMCUWLPZQTM-UHFFFAOYSA-N -1 0 330.409 3.785 20 0 EHADRM C[C@H](CNC(=O)c1ccc2[n-]c(=S)oc2c1)Cc1cccs1 ZINC000746298758 1132401358 /nfs/dbraw/zinc/40/13/58/1132401358.db2.gz HEACCJGWMGQXIN-JTQLQIEISA-N -1 0 332.450 3.787 20 0 EHADRM COc1cc(Nc2ccc(C)nc2Br)ccc1C(=O)[O-] ZINC001174681162 1132434767 /nfs/dbraw/zinc/43/47/67/1132434767.db2.gz NKFACYQRNKLXTP-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM COc1cc(Nc2cncc(Br)c2C)ccc1C(=O)[O-] ZINC001174682037 1132435074 /nfs/dbraw/zinc/43/50/74/1132435074.db2.gz AKVKCWHSBFQEDT-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM COc1cc(Nc2c(N)cc(F)cc2C(F)(F)F)ccc1C(=O)[O-] ZINC001174688245 1132436351 /nfs/dbraw/zinc/43/63/51/1132436351.db2.gz RHFZGTCDDVIGOB-UHFFFAOYSA-N -1 0 344.264 3.877 20 0 EHADRM COc1cc(Nc2ccc3c(c2)C(C)(C)CC(=O)N3)ccc1C(=O)[O-] ZINC001174687893 1132436734 /nfs/dbraw/zinc/43/67/34/1132436734.db2.gz JWRQTIJUYVOYDZ-UHFFFAOYSA-N -1 0 340.379 3.757 20 0 EHADRM COc1cc(Nc2cc(F)ccc2OCC(F)F)ccc1C(=O)[O-] ZINC001174686459 1132437020 /nfs/dbraw/zinc/43/70/20/1132437020.db2.gz DKMLMWZCDAFLGI-UHFFFAOYSA-N -1 0 341.285 3.920 20 0 EHADRM O=C([O-])c1ccc(Nc2cccn3c(Br)cnc23)s1 ZINC001174805998 1132478214 /nfs/dbraw/zinc/47/82/14/1132478214.db2.gz NCSMFDVEBHFYBT-UHFFFAOYSA-N -1 0 338.186 3.600 20 0 EHADRM CC(C)(C)OC(=O)NCc1cc(Nc2ccc(C(=O)[O-])s2)ccn1 ZINC001174809064 1132480416 /nfs/dbraw/zinc/48/04/16/1132480416.db2.gz XEIOQGUMUGRTAB-UHFFFAOYSA-N -1 0 349.412 3.610 20 0 EHADRM O=S(=O)([O-])c1cc(Cl)ccc1Nc1cccc2cccnc21 ZINC001174860060 1132489163 /nfs/dbraw/zinc/48/91/63/1132489163.db2.gz PXMUPJVZDPGEQF-UHFFFAOYSA-N -1 0 334.784 3.879 20 0 EHADRM Cc1cc(C)c(/C=C\C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1C ZINC000746372590 1132502079 /nfs/dbraw/zinc/50/20/79/1132502079.db2.gz MCMJKBQYJBWONW-KTKRTIGZSA-N -1 0 337.419 3.982 20 0 EHADRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)/C=C\c1ccsc1 ZINC000746377880 1132503318 /nfs/dbraw/zinc/50/33/18/1132503318.db2.gz YWJDADKWHDHPDT-UTCJRWHESA-N -1 0 335.812 3.528 20 0 EHADRM COCc1ccc(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)cc1 ZINC001174922428 1132505756 /nfs/dbraw/zinc/50/57/56/1132505756.db2.gz XOMWWWKKJRBVHN-UHFFFAOYSA-N -1 0 343.404 3.977 20 0 EHADRM Cc1ccc(/C=C\S(=O)(=O)[N-][C@@H](C(C)(C)C)C(F)(F)F)cc1 ZINC000746401255 1132511648 /nfs/dbraw/zinc/51/16/48/1132511648.db2.gz RTHDSXLZCPXUID-XPSMFNQNSA-N -1 0 335.391 3.862 20 0 EHADRM Nc1cc(Br)cc(F)c1Nc1ccc(CC(=O)[O-])cc1 ZINC001174953117 1132516580 /nfs/dbraw/zinc/51/65/80/1132516580.db2.gz LOLMFTJLMORVGE-UHFFFAOYSA-N -1 0 339.164 3.541 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCC2(CC(=O)[O-])CCCCC2)o1 ZINC000392649740 1132520845 /nfs/dbraw/zinc/52/08/45/1132520845.db2.gz TXIFMABFLHCRSV-ZBFHGGJFSA-N -1 0 347.455 3.877 20 0 EHADRM COc1cccc(F)c1Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1 ZINC001174994489 1132524446 /nfs/dbraw/zinc/52/44/46/1132524446.db2.gz SGEVFIWWFZGNHY-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1ccc(OCC(F)(F)F)nc1 ZINC001174981937 1132534098 /nfs/dbraw/zinc/53/40/98/1132534098.db2.gz RNTHQLAMNOZFIY-UHFFFAOYSA-N -1 0 326.274 3.773 20 0 EHADRM COc1cc(Br)nc(Nc2cc(C(=O)[O-])ccc2C)c1 ZINC001174983757 1132535333 /nfs/dbraw/zinc/53/53/33/1132535333.db2.gz RTJOKPDUURXLME-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM Cc1c(Br)ccc(N)c1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175156973 1132569504 /nfs/dbraw/zinc/56/95/04/1132569504.db2.gz BHXPUVLRKDTTLB-UHFFFAOYSA-N -1 0 339.164 3.921 20 0 EHADRM O=C(Cc1nc(-c2ccc(F)cc2)cs1)[N-]Oc1ccccc1 ZINC000773460876 1132570769 /nfs/dbraw/zinc/57/07/69/1132570769.db2.gz JNXFYXVKYFKJLO-UHFFFAOYSA-N -1 0 328.368 3.602 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc3nc(-c4ccccc4)nn3c2)cc1F ZINC001175158711 1132570893 /nfs/dbraw/zinc/57/08/93/1132570893.db2.gz PUIGCPURJZIIII-UHFFFAOYSA-N -1 0 348.337 3.977 20 0 EHADRM Cc1cn(-c2ccc(Nc3ccc(C(=O)[O-])c(F)c3)cc2F)cn1 ZINC001175160356 1132571348 /nfs/dbraw/zinc/57/13/48/1132571348.db2.gz IMHUDSWBMLJWMA-UHFFFAOYSA-N -1 0 329.306 3.901 20 0 EHADRM COC(=O)c1cnc2ccc(Nc3ccc(C(=O)[O-])c(F)c3)cc2c1 ZINC001175159690 1132571587 /nfs/dbraw/zinc/57/15/87/1132571587.db2.gz FDBITPITZOKKBI-UHFFFAOYSA-N -1 0 340.310 3.602 20 0 EHADRM CCOC(=O)CCc1ccc(Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001175159655 1132571708 /nfs/dbraw/zinc/57/17/08/1132571708.db2.gz COXKKCCGCOGOEU-UHFFFAOYSA-N -1 0 331.343 3.763 20 0 EHADRM O=S(=O)([O-])c1cc(Cl)ccc1Nc1c(F)cc(F)cc1F ZINC001175144737 1132580422 /nfs/dbraw/zinc/58/04/22/1132580422.db2.gz KBTOJGFFYIYGMU-UHFFFAOYSA-N -1 0 337.706 3.748 20 0 EHADRM CC(C)Oc1cc(F)cc(Nc2ccc(S(=O)(=O)[O-])cc2)c1 ZINC001175142367 1132580537 /nfs/dbraw/zinc/58/05/37/1132580537.db2.gz BSGWDYOTVWSHPN-UHFFFAOYSA-N -1 0 325.361 3.603 20 0 EHADRM COc1cccc(-c2cc(Nc3ccc(F)c(C(=O)[O-])c3)on2)c1 ZINC001175214946 1132597173 /nfs/dbraw/zinc/59/71/73/1132597173.db2.gz BZGFVAKASSEVRN-UHFFFAOYSA-N -1 0 328.299 3.931 20 0 EHADRM COc1ccc(-c2nnsc2Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001175216957 1132597952 /nfs/dbraw/zinc/59/79/52/1132597952.db2.gz JYZJGIANNXQBRK-UHFFFAOYSA-N -1 0 345.355 3.795 20 0 EHADRM Cc1cc(Nc2ccc(F)c(C(=O)[O-])c2)n(Cc2cccc(F)c2)n1 ZINC001175219948 1132598559 /nfs/dbraw/zinc/59/85/59/1132598559.db2.gz GPYWIODZQITLMU-UHFFFAOYSA-N -1 0 343.333 3.960 20 0 EHADRM O=C([O-])c1cc(Nc2ccc3nnc(C4CCC4)n3c2)ccc1F ZINC001175220414 1132598620 /nfs/dbraw/zinc/59/86/20/1132598620.db2.gz OOOFIMXFPSUQRH-UHFFFAOYSA-N -1 0 326.331 3.578 20 0 EHADRM COc1cc(Nc2ccc(F)c(C(=O)[O-])c2)ccc1-c1cnco1 ZINC001175220473 1132598844 /nfs/dbraw/zinc/59/88/44/1132598844.db2.gz PYJMMFRQGYGOLH-UHFFFAOYSA-N -1 0 328.299 3.931 20 0 EHADRM CC(=O)c1ccc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)cc1F ZINC001175235236 1132603467 /nfs/dbraw/zinc/60/34/67/1132603467.db2.gz HRVAUQPWUDIQNQ-UHFFFAOYSA-N -1 0 343.763 3.672 20 0 EHADRM O=C([O-])c1ccc(Nc2cncc(Br)c2)cc1Cl ZINC001175314639 1132635089 /nfs/dbraw/zinc/63/50/89/1132635089.db2.gz VYGBPPMGRDNEOO-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM COC(=O)c1cc(OC)ccc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175316073 1132635781 /nfs/dbraw/zinc/63/57/81/1132635781.db2.gz MWVXJBVAUHWDFY-UHFFFAOYSA-N -1 0 335.743 3.577 20 0 EHADRM O=C([O-])c1ccc(Nc2ncc(O)cc2Br)cc1Cl ZINC001175315652 1132636094 /nfs/dbraw/zinc/63/60/94/1132636094.db2.gz RNVQYLMTTRAUGS-UHFFFAOYSA-N -1 0 343.564 3.645 20 0 EHADRM COC(=O)c1c(F)cc(F)cc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175320428 1132637785 /nfs/dbraw/zinc/63/77/85/1132637785.db2.gz QRPKBYMGSZUZMM-UHFFFAOYSA-N -1 0 341.697 3.847 20 0 EHADRM COCCOc1ccc(Nc2ccc(C(=O)[O-])c(Cl)c2)cc1F ZINC001175319966 1132638163 /nfs/dbraw/zinc/63/81/63/1132638163.db2.gz KSIGPANLDKYYMB-UHFFFAOYSA-N -1 0 339.750 3.946 20 0 EHADRM O=C([O-])c1cccc(Nc2ccc3nnc(-c4ccccc4F)n3c2)c1 ZINC001175330258 1132641159 /nfs/dbraw/zinc/64/11/59/1132641159.db2.gz LTSIVQDFXCJUAJ-UHFFFAOYSA-N -1 0 348.337 3.977 20 0 EHADRM O=C([O-])c1cccc(Nc2cccc(-c3nc(CO)cs3)c2)c1 ZINC001175334591 1132642076 /nfs/dbraw/zinc/64/20/76/1132642076.db2.gz HTFIVYRJSDYTKO-UHFFFAOYSA-N -1 0 326.377 3.744 20 0 EHADRM Nc1cccc2c(Br)cn(-c3cccc(C(=O)[O-])c3)c21 ZINC001175335990 1132642218 /nfs/dbraw/zinc/64/22/18/1132642218.db2.gz DMBVAQWGHKIRHM-UHFFFAOYSA-N -1 0 331.169 3.673 20 0 EHADRM O=C(CCc1ccc(F)nc1)Nc1c(Cl)ccc([O-])c1Cl ZINC001175381498 1132654930 /nfs/dbraw/zinc/65/49/30/1132654930.db2.gz MKOMLPABVBJIFZ-UHFFFAOYSA-N -1 0 329.158 3.804 20 0 EHADRM COc1cc(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)ccc1F ZINC001175399480 1132659732 /nfs/dbraw/zinc/65/97/32/1132659732.db2.gz HJXPOAADLLAWOA-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM O=C(NC1([C@H]2CCCCO2)CCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC001175415644 1132662038 /nfs/dbraw/zinc/66/20/38/1132662038.db2.gz JTMXDZQOPPWWFR-CYBMUJFWSA-N -1 0 344.238 3.921 20 0 EHADRM C[S@](=O)c1ccc(Nc2c(Cl)c(F)[n-]c(=O)c2Cl)cc1 ZINC001175472757 1132675679 /nfs/dbraw/zinc/67/56/79/1132675679.db2.gz BOQDZBPCKGEDOC-FQEVSTJZSA-N -1 0 335.187 3.714 20 0 EHADRM CCNC(=O)c1ccc(Nc2c(Cl)c(F)[n-]c(=O)c2Cl)cc1 ZINC001175627005 1132717175 /nfs/dbraw/zinc/71/71/75/1132717175.db2.gz IGPAKDSVTXCHKQ-UHFFFAOYSA-N -1 0 344.173 3.726 20 0 EHADRM CC(C)[C@H](C(=O)Nc1nccc(Br)c1[O-])c1ccccc1 ZINC001169383502 1132743541 /nfs/dbraw/zinc/74/35/41/1132743541.db2.gz WKEWFXOWMWJMNF-ZDUSSCGKSA-N -1 0 349.228 3.928 20 0 EHADRM COc1ccc(-c2nnc(NCc3cc(=O)[n-]o3)c3ccccc32)cc1 ZINC001169482114 1132765719 /nfs/dbraw/zinc/76/57/19/1132765719.db2.gz NNEJNCVPRXUZOW-UHFFFAOYSA-N -1 0 348.362 3.611 20 0 EHADRM Cc1cc(NCc2cc(=O)[n-]o2)nc2ccc(Br)cc12 ZINC001169484965 1132765888 /nfs/dbraw/zinc/76/58/88/1132765888.db2.gz DPXIUPRVCLKYCR-UHFFFAOYSA-N -1 0 334.173 3.611 20 0 EHADRM O=C([O-])c1cncc(Nc2ccc3cc(Br)cnc3c2)c1 ZINC001175841872 1132772469 /nfs/dbraw/zinc/77/24/69/1132772469.db2.gz BGRYDXOYUXNYDG-UHFFFAOYSA-N -1 0 344.168 3.834 20 0 EHADRM O=C([O-])c1cncc(Nc2ccc3ncc(Br)cc3c2)c1 ZINC001175841876 1132772547 /nfs/dbraw/zinc/77/25/47/1132772547.db2.gz BOYSAQOARHGCCI-UHFFFAOYSA-N -1 0 344.168 3.834 20 0 EHADRM O=C([O-])c1cncc(Nc2cccc3c(Br)cncc23)c1 ZINC001175843723 1132773263 /nfs/dbraw/zinc/77/32/63/1132773263.db2.gz YIKHABCVMSHIHC-UHFFFAOYSA-N -1 0 344.168 3.834 20 0 EHADRM O=C([O-])c1cncc(Nc2ccc3c(Br)cncc3c2)c1 ZINC001175843793 1132773669 /nfs/dbraw/zinc/77/36/69/1132773669.db2.gz ZRKLWWAVMDJKHO-UHFFFAOYSA-N -1 0 344.168 3.834 20 0 EHADRM Cc1cc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)cc(C)c1N ZINC001175938958 1132790476 /nfs/dbraw/zinc/79/04/76/1132790476.db2.gz QOZQJUXGLGIBDK-UHFFFAOYSA-N -1 0 326.805 3.529 20 0 EHADRM CCOC(=O)c1c([N-]c2cnn(C3CC3)c2)onc1-c1ccccc1 ZINC001175961886 1132802537 /nfs/dbraw/zinc/80/25/37/1132802537.db2.gz OTWRKCFLPNADCV-UHFFFAOYSA-N -1 0 338.367 3.793 20 0 EHADRM O=S(=O)([O-])c1c(Nc2cccc3c2OCC3)ccc2ccccc21 ZINC001176078326 1132830447 /nfs/dbraw/zinc/83/04/47/1132830447.db2.gz HFKCETNZVTUBHL-UHFFFAOYSA-N -1 0 341.388 3.765 20 0 EHADRM CC(C)c1cc(Br)ccc1Nc1cnn(CC(=O)[O-])c1 ZINC001176273319 1132898920 /nfs/dbraw/zinc/89/89/20/1132898920.db2.gz YOUPRSNUBWFRPT-UHFFFAOYSA-N -1 0 338.205 3.597 20 0 EHADRM O=C([O-])c1cc(Nc2ccc(OC3CCOCC3)c(F)c2)cs1 ZINC001176440790 1132929958 /nfs/dbraw/zinc/92/99/58/1132929958.db2.gz NSYKVWMSWVSLCW-UHFFFAOYSA-N -1 0 337.372 3.887 20 0 EHADRM O=C([O-])c1cc(Nc2ccc(C(=O)NCc3ccco3)cc2)cs1 ZINC001176439560 1132930067 /nfs/dbraw/zinc/93/00/67/1132930067.db2.gz RZXNHVKDEBHFLS-UHFFFAOYSA-N -1 0 342.376 3.713 20 0 EHADRM C/C(=C\C(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1)c1ccccc1 ZINC000767137851 1132955956 /nfs/dbraw/zinc/95/59/56/1132955956.db2.gz KFWFDTGYCQETBS-SDNWHVSQSA-N -1 0 334.375 3.768 20 0 EHADRM Cc1nc(-c2ccc(Nc3ccc(C4(C(=O)[O-])CC4)cc3)cc2)no1 ZINC001176588454 1132961543 /nfs/dbraw/zinc/96/15/43/1132961543.db2.gz LVCHBLWPMUYJGU-UHFFFAOYSA-N -1 0 335.363 3.905 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2ncc(Br)cc2F)cc1 ZINC001176588905 1132961730 /nfs/dbraw/zinc/96/17/30/1132961730.db2.gz JWKLHIKBXBWVTQ-ZZXKWVIFSA-N -1 0 337.148 3.825 20 0 EHADRM COC(=O)c1c(F)ccc(F)c1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176596175 1132964313 /nfs/dbraw/zinc/96/43/13/1132964313.db2.gz ZBHLIVCKNHPJLC-RUDMXATFSA-N -1 0 333.290 3.593 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C[C@H]2CCCc3ccccc32)cc1F ZINC000767202390 1132966242 /nfs/dbraw/zinc/96/62/42/1132966242.db2.gz XUGYQJXGHRGGOX-CYBMUJFWSA-N -1 0 327.355 3.973 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(Cl)ncc2Br)cc1 ZINC001176710272 1132995266 /nfs/dbraw/zinc/99/52/66/1132995266.db2.gz FIBDPEUUYWWBKE-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM CC(C)(C)OC(=O)NCc1cc(Nc2ccc(C(=O)[O-])cc2)ccn1 ZINC001176709993 1132995366 /nfs/dbraw/zinc/99/53/66/1132995366.db2.gz PSTYNTSAVBFHGJ-UHFFFAOYSA-N -1 0 343.383 3.548 20 0 EHADRM CC[C@@H](C)[C@H]([N-]S(=O)(=O)C1=Cc2ccccc2CC1)C(F)(F)F ZINC000767608565 1133024740 /nfs/dbraw/zinc/02/47/40/1133024740.db2.gz XUPMGZRZAQXMDF-ABAIWWIYSA-N -1 0 347.402 3.870 20 0 EHADRM CCc1ccc(CCC(=O)Nc2cc(C(C)=O)cc(F)c2[O-])cc1 ZINC001178428843 1133168189 /nfs/dbraw/zinc/16/81/89/1133168189.db2.gz SSMYTSUIFNWOBK-UHFFFAOYSA-N -1 0 329.371 3.868 20 0 EHADRM CC(=O)c1cc(F)c([O-])c(NC(=O)CCc2ccc(C)cc2C)c1 ZINC001178428717 1133168351 /nfs/dbraw/zinc/16/83/51/1133168351.db2.gz MKPWPXUDJUDWGJ-UHFFFAOYSA-N -1 0 329.371 3.922 20 0 EHADRM O=C(Nc1ccc(Br)nc1)c1cc(F)cc(Cl)c1[O-] ZINC000769303456 1133256901 /nfs/dbraw/zinc/25/69/01/1133256901.db2.gz ODVWSLXXUCBVBK-UHFFFAOYSA-N -1 0 345.555 3.595 20 0 EHADRM CCCCc1oc2ccccc2c1/C=C/C(=O)N(C)CCC(=O)[O-] ZINC000769540914 1133300271 /nfs/dbraw/zinc/30/02/71/1133300271.db2.gz KRGJFFHMBMSYQM-ZHACJKMWSA-N -1 0 329.396 3.722 20 0 EHADRM CCC[C@H](C(=O)N[C@H](C)c1nn(C)cc1[O-])c1cccc(Cl)c1 ZINC001179926198 1133300432 /nfs/dbraw/zinc/30/04/32/1133300432.db2.gz CQGODPBOOXNDJH-RISCZKNCSA-N -1 0 335.835 3.540 20 0 EHADRM CCCCCCOc1ccc(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000769529938 1133309533 /nfs/dbraw/zinc/30/95/33/1133309533.db2.gz CEPKDANMYPYOAN-INIZCTEOSA-N -1 0 347.455 3.973 20 0 EHADRM CCN(C(=O)c1c([O-])cccc1Cl)c1ccc(OC)c(OC)c1 ZINC000769684728 1133324332 /nfs/dbraw/zinc/32/43/32/1133324332.db2.gz ONVQUHLPHWHRTH-UHFFFAOYSA-N -1 0 335.787 3.730 20 0 EHADRM O=C(Nc1ccc(F)c(Br)c1[O-])[C@@H](F)c1ccccc1 ZINC001180148862 1133338790 /nfs/dbraw/zinc/33/87/90/1133338790.db2.gz MAJNWQWFKUUWCX-LBPRGKRZSA-N -1 0 342.139 3.943 20 0 EHADRM Cc1ccc(NC(=O)c2c([O-])cccc2Cl)cc1C(=O)NC(C)C ZINC000769784865 1133344853 /nfs/dbraw/zinc/34/48/53/1133344853.db2.gz NBELQXLQGSUGLS-UHFFFAOYSA-N -1 0 346.814 3.745 20 0 EHADRM O=C(Nc1cc(Cl)cc(Br)c1[O-])c1nccs1 ZINC000770595463 1133448986 /nfs/dbraw/zinc/44/89/86/1133448986.db2.gz GHGLWHHLCXHHAG-UHFFFAOYSA-N -1 0 333.594 3.517 20 0 EHADRM COc1cc(Cl)ccc1NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000773901784 1133454378 /nfs/dbraw/zinc/45/43/78/1133454378.db2.gz VVOSYHQCWAJAHK-GOSISDBHSA-N -1 0 347.798 3.720 20 0 EHADRM COc1ccc2c(c1)CCCN2C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000770821817 1133472101 /nfs/dbraw/zinc/47/21/01/1133472101.db2.gz KEEALJMQESAGLJ-UHFFFAOYSA-N -1 0 335.762 3.786 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)C2=CCCCCC2)c1C ZINC000773945528 1133531590 /nfs/dbraw/zinc/53/15/90/1133531590.db2.gz ZJVUWTHTSMUZHE-UHFFFAOYSA-N -1 0 335.469 3.616 20 0 EHADRM Cc1ccsc1-c1nsc(N=C([O-])NOCc2ccccc2)n1 ZINC000771274012 1133534724 /nfs/dbraw/zinc/53/47/24/1133534724.db2.gz RSVULCUYXWYJHC-UHFFFAOYSA-N -1 0 346.437 3.828 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1cc(=O)c2ccccc2o1 ZINC000771512776 1133568472 /nfs/dbraw/zinc/56/84/72/1133568472.db2.gz QDUJVUSIYKKXFR-UHFFFAOYSA-N -1 0 333.702 3.543 20 0 EHADRM Cn1cc(NC(=O)c2c([O-])cccc2Cl)c(-c2ccccc2)n1 ZINC000773969946 1133572266 /nfs/dbraw/zinc/57/22/66/1133572266.db2.gz BYWKGPNCGDAFRD-UHFFFAOYSA-N -1 0 327.771 3.698 20 0 EHADRM C/C(=C\C(C)(C)C)C(=O)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000774233903 1133637748 /nfs/dbraw/zinc/63/77/48/1133637748.db2.gz FDNVDSGAQLMNID-ZHACJKMWSA-N -1 0 343.514 3.843 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2c(C)nc3ccc(Cl)cn32)c1 ZINC000785553787 1133721550 /nfs/dbraw/zinc/72/15/50/1133721550.db2.gz JSPDTLNWOBOYSN-UHFFFAOYSA-N -1 0 349.843 3.659 20 0 EHADRM O=C(Nc1cccc(C(F)(F)F)c1[O-])C(=O)c1ccc(Cl)cc1 ZINC001182896687 1133745788 /nfs/dbraw/zinc/74/57/88/1133745788.db2.gz CETNZACLWAPZIJ-UHFFFAOYSA-N -1 0 343.688 3.886 20 0 EHADRM O=C(Cc1ccc([S-])cc1)NCc1nc(-c2ccccc2)cs1 ZINC001183189458 1133777084 /nfs/dbraw/zinc/77/70/84/1133777084.db2.gz INHNOUCTSIMDIH-UHFFFAOYSA-N -1 0 340.473 3.958 20 0 EHADRM O=C(Cc1ccc([S-])cc1)N[C@@H](c1ccccc1)c1ccncc1 ZINC001183186418 1133777094 /nfs/dbraw/zinc/77/70/94/1133777094.db2.gz CHAMASGKKFCJMH-FQEVSTJZSA-N -1 0 334.444 3.819 20 0 EHADRM O=C(Cc1ccc([S-])cc1)N(Cc1ccccc1)C1CCOCC1 ZINC001183190635 1133777712 /nfs/dbraw/zinc/77/77/12/1133777712.db2.gz LEZBUMOYQZXGBA-UHFFFAOYSA-N -1 0 341.476 3.726 20 0 EHADRM O=C(Cc1cc(Br)ccc1O)Nc1ccccc1[S-] ZINC001183921634 1133878648 /nfs/dbraw/zinc/87/86/48/1133878648.db2.gz MQSCAVPKZBKZCB-UHFFFAOYSA-N -1 0 338.226 3.625 20 0 EHADRM Cn1c(C(=O)Nc2cccc(CCC(=O)[O-])c2)ccc1-c1ccccc1 ZINC000786621655 1133878810 /nfs/dbraw/zinc/87/88/10/1133878810.db2.gz VKWKXYCRXKQBJW-UHFFFAOYSA-N -1 0 348.402 3.962 20 0 EHADRM O=C(C=C([O-])c1ccc(Cl)cc1)CCC(=O)Nc1ccccc1 ZINC001184115229 1133893344 /nfs/dbraw/zinc/89/33/44/1133893344.db2.gz ZSQWNWYXYDJNCW-UHFFFAOYSA-N -1 0 329.783 3.901 20 0 EHADRM O=C(N[C@@H]1c2ccccc2CC[C@H]1F)c1cc(F)cc(Cl)c1[O-] ZINC001184179086 1133901558 /nfs/dbraw/zinc/90/15/58/1133901558.db2.gz RYXIRLNHJVAZBS-HUUCEWRRSA-N -1 0 337.753 3.940 20 0 EHADRM O=S(=O)([N-]CCC1=CCCCC1)c1c(Cl)ccc(F)c1F ZINC001184524759 1133949212 /nfs/dbraw/zinc/94/92/12/1133949212.db2.gz WACPUSVPSOUVFU-UHFFFAOYSA-N -1 0 335.803 3.787 20 0 EHADRM CC(C)(C)Oc1cccc([N-]S(=O)(=O)c2cccnc2Cl)c1 ZINC001184884669 1133996641 /nfs/dbraw/zinc/99/66/41/1133996641.db2.gz LDTCZPSOFVHLCU-UHFFFAOYSA-N -1 0 340.832 3.713 20 0 EHADRM CCCOc1ccccc1NS(=O)(=O)Cc1cc(F)cc(F)c1 ZINC001185137982 1134034772 /nfs/dbraw/zinc/03/47/72/1134034772.db2.gz UWQBPARVFLTMLB-UHFFFAOYSA-N -1 0 341.379 3.696 20 0 EHADRM CSc1cc(C)nc(SC)c1[N-]C(=O)c1cnc(C2CC2)o1 ZINC001185196435 1134055829 /nfs/dbraw/zinc/05/58/29/1134055829.db2.gz CDFQTJYUZURUFA-UHFFFAOYSA-N -1 0 335.454 3.952 20 0 EHADRM O=S(=O)([N-]c1cccc(F)c1C(F)(F)F)c1ccsc1 ZINC001185391409 1134078263 /nfs/dbraw/zinc/07/82/63/1134078263.db2.gz LHDTZDNCCSDPRP-UHFFFAOYSA-N -1 0 325.308 3.707 20 0 EHADRM O=C(CSc1cccc(Br)c1)[N-]OC1CCCC1 ZINC000774874838 1134083320 /nfs/dbraw/zinc/08/33/20/1134083320.db2.gz HTOFQABHDAWLBN-UHFFFAOYSA-N -1 0 330.247 3.532 20 0 EHADRM O=C(C=C([O-])c1ccccc1Cl)NCCCOc1cccc(F)c1 ZINC001185443968 1134087146 /nfs/dbraw/zinc/08/71/46/1134087146.db2.gz IXCRNYKRIQQWHV-UHFFFAOYSA-N -1 0 349.789 3.637 20 0 EHADRM Cn1ncc2cccc([N-]S(=O)(=O)c3cc4ccccc4s3)c21 ZINC001185459389 1134091527 /nfs/dbraw/zinc/09/15/27/1134091527.db2.gz GBYSAPSOTATNNP-UHFFFAOYSA-N -1 0 343.433 3.589 20 0 EHADRM CC(C)(O)c1ccccc1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185460818 1134091677 /nfs/dbraw/zinc/09/16/77/1134091677.db2.gz XVFJABVRTZSJLY-UHFFFAOYSA-N -1 0 347.461 3.930 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)CCO2)c1cc2ccccc2s1 ZINC001185460487 1134091744 /nfs/dbraw/zinc/09/17/44/1134091744.db2.gz QOINPIOORXLQTR-UHFFFAOYSA-N -1 0 331.418 3.637 20 0 EHADRM COc1c(F)c(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1 ZINC001185531449 1134104567 /nfs/dbraw/zinc/10/45/67/1134104567.db2.gz AZKQQVZIFGZLHP-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(-c2ccccc2)no1 ZINC001185794899 1134134361 /nfs/dbraw/zinc/13/43/61/1134134361.db2.gz BZWRLMVLMYVNMZ-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM Cc1ccc2cccnc2c1[N-]S(=O)(=O)c1cccc(F)c1C ZINC001185824815 1134142360 /nfs/dbraw/zinc/14/23/60/1134142360.db2.gz QMQPVFAIXOAPEA-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM O=C(N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12)c1ccc2[n-]c(=S)oc2c1 ZINC000772728711 1134204595 /nfs/dbraw/zinc/20/45/95/1134204595.db2.gz IOIAUOIYKRKBDM-IAOVAPTHSA-N -1 0 336.416 3.575 20 0 EHADRM O=S(=O)([N-]c1cccnc1C1CC1)c1csc2ccccc21 ZINC001186454165 1134215027 /nfs/dbraw/zinc/21/50/27/1134215027.db2.gz DHHZDLWWIYDOJE-UHFFFAOYSA-N -1 0 330.434 3.975 20 0 EHADRM C[C@@H](CCOC(=O)c1c(F)cc([O-])cc1F)OCc1ccccc1 ZINC000789053365 1134221406 /nfs/dbraw/zinc/22/14/06/1134221406.db2.gz GGMSWTJJEALQIK-LBPRGKRZSA-N -1 0 336.334 3.823 20 0 EHADRM Cn1cc2ccc([N-]S(=O)(=O)c3csc4ccccc43)cc2n1 ZINC001186495916 1134222365 /nfs/dbraw/zinc/22/23/65/1134222365.db2.gz WLMJBECSMSWMAR-UHFFFAOYSA-N -1 0 343.433 3.589 20 0 EHADRM O=C(NCc1cccc(C(F)F)c1)c1cc(F)c(F)c([O-])c1F ZINC001186787224 1134258102 /nfs/dbraw/zinc/25/81/02/1134258102.db2.gz APVHZJFMEPCXIU-UHFFFAOYSA-N -1 0 331.240 3.677 20 0 EHADRM O=S(=O)([N-]c1cc(C(F)(F)F)cc2ncccc12)c1ccco1 ZINC001186859426 1134269731 /nfs/dbraw/zinc/26/97/31/1134269731.db2.gz XDDKCQBXJPGGGQ-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM CCOCCS(=O)(=O)[N-]c1cccc(C)c1Oc1ccccc1 ZINC001187280485 1134319151 /nfs/dbraw/zinc/31/91/51/1134319151.db2.gz XBFFUNBAOUQHJG-UHFFFAOYSA-N -1 0 335.425 3.566 20 0 EHADRM Cc1oncc1S(=O)(=O)[N-]c1ccc(Oc2ccc(C)cc2)cc1 ZINC001187368633 1134327695 /nfs/dbraw/zinc/32/76/95/1134327695.db2.gz IJAAHJAPIYLKEV-UHFFFAOYSA-N -1 0 344.392 3.885 20 0 EHADRM O=C([O-])c1cc(NCc2cccc3ccccc32)cc2c1OCCO2 ZINC000789903013 1134347916 /nfs/dbraw/zinc/34/79/16/1134347916.db2.gz DULJXSJJFGBOKN-UHFFFAOYSA-N -1 0 335.359 3.921 20 0 EHADRM Cc1cc(CNc2cc3c(c(C(=O)[O-])c2)OCCO3)ccc1Cl ZINC000789901839 1134348084 /nfs/dbraw/zinc/34/80/84/1134348084.db2.gz DXHVHVWMMABPFW-UHFFFAOYSA-N -1 0 333.771 3.730 20 0 EHADRM O=S(=O)([N-]c1cccc2ocnc21)c1cccc(Cl)c1Cl ZINC000790004702 1134358262 /nfs/dbraw/zinc/35/82/62/1134358262.db2.gz JPDYXFOLPSSFTJ-UHFFFAOYSA-N -1 0 343.191 3.935 20 0 EHADRM O=S(=O)([N-]c1cccc(C(F)(F)F)c1Cl)c1nccs1 ZINC001187894207 1134394013 /nfs/dbraw/zinc/39/40/13/1134394013.db2.gz FDOAXMMBPOBJPF-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM Cc1ccc(NC(=O)Nc2ncc(O)cc2Br)cc1F ZINC001187962515 1134399679 /nfs/dbraw/zinc/39/96/79/1134399679.db2.gz ULCPWCVAFHSGQB-UHFFFAOYSA-N -1 0 340.152 3.641 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)cc(C)c1F ZINC001188071341 1134423221 /nfs/dbraw/zinc/42/32/21/1134423221.db2.gz PYCGJTHLGAAEDD-UHFFFAOYSA-N -1 0 349.214 3.945 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(SC(F)F)nc1 ZINC000775167345 1134473207 /nfs/dbraw/zinc/47/32/07/1134473207.db2.gz PWCBKQNNWZTAOL-UHFFFAOYSA-N -1 0 348.371 3.645 20 0 EHADRM O=C(N[C@H]1CCCc2cccnc21)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188588903 1134485512 /nfs/dbraw/zinc/48/55/12/1134485512.db2.gz YTPRXXQKBONIPJ-ZDUSSCGKSA-N -1 0 336.313 3.613 20 0 EHADRM C[C@H](OC(=O)c1c(F)cc([O-])cc1F)c1nc(-c2ccccc2)no1 ZINC000746987869 1134518624 /nfs/dbraw/zinc/51/86/24/1134518624.db2.gz RSQLWZMSPSSRAR-VIFPVBQESA-N -1 0 346.289 3.638 20 0 EHADRM Cc1ccc(/C=C/S(=O)(=O)[N-][C@](C)(C2CC2)C(F)(F)F)cc1 ZINC000775208843 1134519739 /nfs/dbraw/zinc/51/97/39/1134519739.db2.gz DZIPSIUVPLKRSH-ATWMFIQVSA-N -1 0 333.375 3.616 20 0 EHADRM CC[C@@](C)([N-]S(=O)(=O)C1=Cc2ccccc2CC1)C(F)(F)F ZINC000775207001 1134521101 /nfs/dbraw/zinc/52/11/01/1134521101.db2.gz CMMARIGNPPKSBT-CQSZACIVSA-N -1 0 333.375 3.624 20 0 EHADRM CC(=O)c1cccc(S(=O)(=O)[N-]c2cnc(CC(C)C)cc2C)c1 ZINC001189196417 1134551359 /nfs/dbraw/zinc/55/13/59/1134551359.db2.gz BMMJBPFBHSHLQI-UHFFFAOYSA-N -1 0 346.452 3.592 20 0 EHADRM Cc1ccc2cccc([N-]S(=O)(=O)Cc3cccc(F)c3F)c2n1 ZINC001189453814 1134589434 /nfs/dbraw/zinc/58/94/34/1134589434.db2.gz DOLBQPMSNQQXEA-UHFFFAOYSA-N -1 0 348.374 3.763 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)Cc1cccc(F)c1F ZINC001189463547 1134591026 /nfs/dbraw/zinc/59/10/26/1134591026.db2.gz MDEHXITWWPNPRD-UHFFFAOYSA-N -1 0 341.379 3.696 20 0 EHADRM CCC[C@H](C)c1cc([N-]S(=O)(=O)Cc2cc(F)ccc2F)on1 ZINC001189644920 1134605785 /nfs/dbraw/zinc/60/57/85/1134605785.db2.gz MLQSOBQWOLUTLW-JTQLQIEISA-N -1 0 344.383 3.798 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)c(F)c(F)c2)c1 ZINC001189614062 1134606085 /nfs/dbraw/zinc/60/60/85/1134606085.db2.gz XLTKFRLTGHCNQA-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM C[C@@H](CCC(C)(C)C)C(=O)[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000791952976 1134637875 /nfs/dbraw/zinc/63/78/75/1134637875.db2.gz ILBSCMGCWFTHAA-ZDUSSCGKSA-N -1 0 348.468 3.502 20 0 EHADRM CN(C(=O)c1cc(Br)ccc1[S-])c1ccccc1N ZINC001189961045 1134642752 /nfs/dbraw/zinc/64/27/52/1134642752.db2.gz IHWNEUCTVRYRMZ-UHFFFAOYSA-N -1 0 337.242 3.597 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN(S(=O)(=O)c2ccccc2[O-])CC1 ZINC001190188171 1134663987 /nfs/dbraw/zinc/66/39/87/1134663987.db2.gz FUBOWOUWNQZHPN-LJQANCHMSA-N -1 0 345.464 3.525 20 0 EHADRM CC1(C)CC(=O)c2cccc(NC(=O)c3c(F)ccc([O-])c3F)c2O1 ZINC001170164758 1134672900 /nfs/dbraw/zinc/67/29/00/1134672900.db2.gz KEITZPHGAPNLNZ-UHFFFAOYSA-N -1 0 347.317 3.667 20 0 EHADRM CC1(C)CC(=O)c2cccc(NC(=O)c3ccc(F)c([O-])c3)c2O1 ZINC001170165091 1134678816 /nfs/dbraw/zinc/67/88/16/1134678816.db2.gz OMSRFGIRVBWRKB-UHFFFAOYSA-N -1 0 329.327 3.527 20 0 EHADRM O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ncc(Cl)cc1[O-] ZINC001190710446 1134736687 /nfs/dbraw/zinc/73/66/87/1134736687.db2.gz FTJICOVDTLXUOL-UHFFFAOYSA-N -1 0 347.680 3.983 20 0 EHADRM COc1ccc(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccncc1 ZINC001190845720 1134758232 /nfs/dbraw/zinc/75/82/32/1134758232.db2.gz GKFJHUHAEDDCML-UHFFFAOYSA-N -1 0 340.404 3.558 20 0 EHADRM O=S(=O)([N-]c1ccccc1Oc1ccc(F)cc1)c1ccncc1 ZINC001190845733 1134758453 /nfs/dbraw/zinc/75/84/53/1134758453.db2.gz HFLVRMNWAKYFCE-UHFFFAOYSA-N -1 0 344.367 3.814 20 0 EHADRM COC(=O)c1sc2ccncc2c1Nc1ccc(C(=O)[O-])cc1F ZINC001203288377 1134817992 /nfs/dbraw/zinc/81/79/92/1134817992.db2.gz QSVIUGLNUTUYDX-UHFFFAOYSA-N -1 0 346.339 3.664 20 0 EHADRM Cc1ncc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2Cl)s1 ZINC001191730114 1134908830 /nfs/dbraw/zinc/90/88/30/1134908830.db2.gz BYOPMPFALOYLAN-UHFFFAOYSA-N -1 0 337.253 3.868 20 0 EHADRM CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2nc(C)sc2c1 ZINC000793350174 1134917191 /nfs/dbraw/zinc/91/71/91/1134917191.db2.gz GCFOHDGMAOOCPB-UHFFFAOYSA-N -1 0 346.433 3.608 20 0 EHADRM O=S(=O)(Cc1ccc(Cl)cc1F)[N-]c1nc(C2CC2)cs1 ZINC001191855027 1134928154 /nfs/dbraw/zinc/92/81/54/1134928154.db2.gz CWACZZCODDCGJC-UHFFFAOYSA-N -1 0 346.836 3.755 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cccc2c1OCCC2 ZINC001191828205 1134932102 /nfs/dbraw/zinc/93/21/02/1134932102.db2.gz KTTITELKKUZEBY-UHFFFAOYSA-N -1 0 347.436 3.520 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cccc(C(C)=O)c1C ZINC001191828242 1134932711 /nfs/dbraw/zinc/93/27/11/1134932711.db2.gz FJLOHVPQFHLQIY-UHFFFAOYSA-N -1 0 347.436 3.706 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(F)c(C)c(F)c1 ZINC001191828819 1134933077 /nfs/dbraw/zinc/93/30/77/1134933077.db2.gz ROTZEJUSJLKXOK-UHFFFAOYSA-N -1 0 341.379 3.781 20 0 EHADRM CC(C)c1cc([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)on1 ZINC001191866078 1134938132 /nfs/dbraw/zinc/93/81/32/1134938132.db2.gz FFDXKAJKPRAHQO-UHFFFAOYSA-N -1 0 332.784 3.532 20 0 EHADRM COc1ccc2cc(S(=O)(=O)[N-]c3ccc(C)cc3O)ccc2c1 ZINC001191963272 1134951405 /nfs/dbraw/zinc/95/14/05/1134951405.db2.gz MNKZKHGUNCMDSJ-UHFFFAOYSA-N -1 0 343.404 3.663 20 0 EHADRM COc1ccc2cc(S(=O)(=O)Nc3ccccc3[S-])ccc2c1 ZINC001191962749 1134951592 /nfs/dbraw/zinc/95/15/92/1134951592.db2.gz FLFAQIBHFYKPDM-UHFFFAOYSA-N -1 0 345.445 3.938 20 0 EHADRM O=C(CCC(F)F)Nc1cc(Cl)cc(Br)c1[O-] ZINC000793739180 1134988004 /nfs/dbraw/zinc/98/80/04/1134988004.db2.gz AJQGYLSGTRVJOP-UHFFFAOYSA-N -1 0 328.540 3.792 20 0 EHADRM CC(C)CCO[C@H](C)C(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000747150395 1135000430 /nfs/dbraw/zinc/00/04/30/1135000430.db2.gz RSMDTLLMUMGYOS-GFCCVEGCSA-N -1 0 333.350 3.704 20 0 EHADRM COc1ccc2c(c1)onc2[N-]S(=O)(=O)/C=C/c1ccc(C)cc1 ZINC000794042251 1135015646 /nfs/dbraw/zinc/01/56/46/1135015646.db2.gz LDCDRBGXDJNWFF-MDZDMXLPSA-N -1 0 344.392 3.557 20 0 EHADRM Cc1ccnc(C(C)C)c1[N-]S(=O)(=O)c1cnc(Cl)c(C)c1 ZINC001192537991 1135032287 /nfs/dbraw/zinc/03/22/87/1135032287.db2.gz MXTPMFGEZCNRCM-UHFFFAOYSA-N -1 0 339.848 3.671 20 0 EHADRM CCC(F)(F)CNS(=O)(=O)c1csc2ccc(Cl)cc21 ZINC001192601031 1135035979 /nfs/dbraw/zinc/03/59/79/1135035979.db2.gz CCYPJRVDMKTIMZ-UHFFFAOYSA-N -1 0 339.816 3.878 20 0 EHADRM Cc1nc2c(F)cccc2cc1NC(=O)c1c([O-])ccc(F)c1F ZINC001192729871 1135048282 /nfs/dbraw/zinc/04/82/82/1135048282.db2.gz MZZOHBWPPHJANE-UHFFFAOYSA-N -1 0 332.281 3.918 20 0 EHADRM O=C(Nc1ccc(-c2cccnc2)cc1)c1c(F)ccc(F)c1[O-] ZINC001192707528 1135050483 /nfs/dbraw/zinc/05/04/83/1135050483.db2.gz YVLXBAHWXOCJTH-UHFFFAOYSA-N -1 0 326.302 3.985 20 0 EHADRM O=C(NCc1cc2cc(Cl)ccc2[nH]1)c1c([O-])ccc(F)c1F ZINC001192770419 1135053069 /nfs/dbraw/zinc/05/30/69/1135053069.db2.gz VHJXQUXVYDZXLN-UHFFFAOYSA-N -1 0 336.725 3.735 20 0 EHADRM Cc1cccc(S(=O)(=O)N[C@H](C(F)F)C2CCCCC2)c1F ZINC001192754827 1135055182 /nfs/dbraw/zinc/05/51/82/1135055182.db2.gz SUXQCPBLWFOFEP-AWEZNQCLSA-N -1 0 335.391 3.626 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3ccccc3n2)c1 ZINC001192755923 1135055266 /nfs/dbraw/zinc/05/52/66/1135055266.db2.gz DBCLXFJNSCRJGS-UHFFFAOYSA-N -1 0 342.420 3.607 20 0 EHADRM O=C(N[C@@H](c1ccccc1)c1ccncc1)c1ccc(F)c(F)c1[O-] ZINC001192811723 1135058466 /nfs/dbraw/zinc/05/84/66/1135058466.db2.gz SREOJMYBZCHBLF-KRWDZBQOSA-N -1 0 340.329 3.585 20 0 EHADRM O=S(=O)([N-]c1cnccc1-c1ccccc1)c1cnccc1Cl ZINC001192854780 1135067098 /nfs/dbraw/zinc/06/70/98/1135067098.db2.gz IHRMNXVQQKWWJK-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM O=S(=O)([N-]c1ccc2cc(F)ccc2c1)c1cnccc1Cl ZINC001192897788 1135069430 /nfs/dbraw/zinc/06/94/30/1135069430.db2.gz XFZWKRVAGYECOW-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccccn2)cc1)c1cnccc1Cl ZINC001192893763 1135069713 /nfs/dbraw/zinc/06/97/13/1135069713.db2.gz GYUNTOPGEZJCGQ-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM O=C(NCc1cccc2cc[nH]c21)c1cc(Cl)nc(Cl)c1[O-] ZINC001193100285 1135101830 /nfs/dbraw/zinc/10/18/30/1135101830.db2.gz GXUWOKLBLKPASB-UHFFFAOYSA-N -1 0 336.178 3.505 20 0 EHADRM O=C(c1cc(Cl)nc(Cl)c1[O-])N1CCC[C@@H]1c1nccs1 ZINC001193091114 1135105485 /nfs/dbraw/zinc/10/54/85/1135105485.db2.gz MODKPFTUJLYWDE-MRVPVSSYSA-N -1 0 344.223 3.528 20 0 EHADRM O=C(Nc1ccc(Oc2ccccc2)c(Cl)c1)c1cc(=O)[nH][n-]1 ZINC001193469271 1135140955 /nfs/dbraw/zinc/14/09/55/1135140955.db2.gz NDNQTRZXSCSHIP-UHFFFAOYSA-N -1 0 329.743 3.813 20 0 EHADRM Cn1ccnc1S(=O)(=O)[N-]c1ccc(-c2cccc(Cl)c2)cc1 ZINC001193597371 1135164748 /nfs/dbraw/zinc/16/47/48/1135164748.db2.gz ABCLDLSFVGTXMB-UHFFFAOYSA-N -1 0 347.827 3.541 20 0 EHADRM CC(C)(C)OC(=O)c1ccccc1NC(=O)c1ccc(F)c([O-])c1F ZINC001193789444 1135181415 /nfs/dbraw/zinc/18/14/15/1135181415.db2.gz QBIZRTUSTRLUMF-UHFFFAOYSA-N -1 0 349.333 3.878 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2)c2ccccc12 ZINC001193833765 1135191070 /nfs/dbraw/zinc/19/10/70/1135191070.db2.gz RESPRYONGNVJPZ-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM C[C@H](O)c1cc(NC(=O)c2ccc3[n-]c(=S)oc3c2)ccc1F ZINC000804801011 1135195754 /nfs/dbraw/zinc/19/57/54/1135195754.db2.gz SBISJLVNZAXAQO-QMMMGPOBSA-N -1 0 332.356 3.561 20 0 EHADRM COCCCO[N-]C(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1 ZINC000805042679 1135228287 /nfs/dbraw/zinc/22/82/87/1135228287.db2.gz CDVFKDKAWBZSKU-QGZVFWFLSA-N -1 0 349.427 3.743 20 0 EHADRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1cc(F)ccc1C ZINC001194261881 1135252359 /nfs/dbraw/zinc/25/23/59/1135252359.db2.gz XXBXBLXULCFEFN-UHFFFAOYSA-N -1 0 325.343 3.586 20 0 EHADRM COc1ncccc1S(=O)(=O)[N-]c1ccc(-c2ccccc2)cc1 ZINC001194705585 1135306543 /nfs/dbraw/zinc/30/65/43/1135306543.db2.gz KGIWKOUZLVTOJA-UHFFFAOYSA-N -1 0 340.404 3.558 20 0 EHADRM CCCc1ccnc([N-]S(=O)(=O)c2c(C)cc(OC)c(C)c2C)c1 ZINC001194844216 1135335817 /nfs/dbraw/zinc/33/58/17/1135335817.db2.gz XZGFNTZEWLGZGW-UHFFFAOYSA-N -1 0 348.468 3.769 20 0 EHADRM C[C@@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)C1 ZINC000752612062 1135357951 /nfs/dbraw/zinc/35/79/51/1135357951.db2.gz ZJEBUWLMGODXFE-VXGBXAGGSA-N -1 0 343.514 3.677 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2ccnn2CC2CCC2)c1 ZINC001195120429 1135372515 /nfs/dbraw/zinc/37/25/15/1135372515.db2.gz IAJFOOSOQJTXBD-UHFFFAOYSA-N -1 0 333.457 3.607 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2O)c1 ZINC001195159296 1135384786 /nfs/dbraw/zinc/38/47/86/1135384786.db2.gz MXLWWZUPASYXLR-UHFFFAOYSA-N -1 0 327.352 3.595 20 0 EHADRM CN(CCOc1ccccc1Cl)C(=O)c1cccc(Cl)c1[O-] ZINC000775644250 1135384809 /nfs/dbraw/zinc/38/48/09/1135384809.db2.gz BXUWAVWIVFMDIS-UHFFFAOYSA-N -1 0 340.206 3.850 20 0 EHADRM Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1cccc(Cl)c1[O-] ZINC000775668709 1135458440 /nfs/dbraw/zinc/45/84/40/1135458440.db2.gz HUBLTXAFHVNISG-UHFFFAOYSA-N -1 0 346.814 3.745 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000121423474 1135471189 /nfs/dbraw/zinc/47/11/89/1135471189.db2.gz WGUMOUOLGZDILJ-HNNXBMFYSA-N -1 0 345.464 3.809 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)/C=C\c2ccc(C)cc2)cc1C ZINC000775679335 1135503459 /nfs/dbraw/zinc/50/34/59/1135503459.db2.gz XSBNYOUOUQJARZ-IWMPZKFUSA-N -1 0 333.457 3.884 20 0 EHADRM CC1(COc2ccc(C(=O)Nc3ccccc3[S-])cc2)COC1 ZINC001196036202 1135510766 /nfs/dbraw/zinc/51/07/66/1135510766.db2.gz QFHIJYXUWCSUCG-UHFFFAOYSA-N -1 0 329.421 3.643 20 0 EHADRM O=S(=O)([N-]c1cncc(-c2ccccc2)c1)c1ccc(Cl)cn1 ZINC001196204762 1135530483 /nfs/dbraw/zinc/53/04/83/1135530483.db2.gz CIFAEVGRFIVOBA-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2OC(C)C)c(F)c1 ZINC001196387983 1135554006 /nfs/dbraw/zinc/55/40/06/1135554006.db2.gz XPTAEMUNORMTIN-UHFFFAOYSA-N -1 0 341.379 3.861 20 0 EHADRM O=C(c1cc(Cl)ncc1[O-])N1CCC[C@@H](Cc2ccccc2)C1 ZINC001196394399 1135554732 /nfs/dbraw/zinc/55/47/32/1135554732.db2.gz ARNQRKAXTLJBCH-AWEZNQCLSA-N -1 0 330.815 3.536 20 0 EHADRM Cc1ccc(O)c([N-]S(=O)(=O)c2ccc3cc(Cl)ccc3c2)n1 ZINC001196414300 1135560670 /nfs/dbraw/zinc/56/06/70/1135560670.db2.gz LQKLDFINJZHRIM-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM CCc1ccc(OC)c(NS(=O)(=O)c2c(C)cc(OC)cc2C)c1 ZINC001196885336 1135621454 /nfs/dbraw/zinc/62/14/54/1135621454.db2.gz HUHBGHKWSKIGLX-UHFFFAOYSA-N -1 0 349.452 3.684 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2nc3cc(Cl)ccc3o2)cc1 ZINC001197069227 1135646974 /nfs/dbraw/zinc/64/69/74/1135646974.db2.gz DFYHDEJKPMUVDJ-UHFFFAOYSA-N -1 0 347.783 3.988 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NC2CCC(C(F)(F)F)CC2)cc1 ZINC001197129438 1135648020 /nfs/dbraw/zinc/64/80/20/1135648020.db2.gz YSFQZUCOQKDDEA-UHFFFAOYSA-N -1 0 346.374 3.792 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197129586 1135648207 /nfs/dbraw/zinc/64/82/07/1135648207.db2.gz CRNAALXKRHBMIH-NSHDSACASA-N -1 0 348.855 3.956 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NC2(c3cccc(F)c3)CCC2)cc1 ZINC001197137851 1135648849 /nfs/dbraw/zinc/64/88/49/1135648849.db2.gz CRYGANJLFZSXPE-UHFFFAOYSA-N -1 0 344.411 3.890 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N2Cc3cccc(Cl)c3C2)cc1 ZINC001197103814 1135650109 /nfs/dbraw/zinc/65/01/09/1135650109.db2.gz VGJLMJVZOOYJGV-UHFFFAOYSA-N -1 0 332.812 3.751 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=S)Nc2ccc(C(=O)[O-])cc2)cn1 ZINC001197103596 1135650328 /nfs/dbraw/zinc/65/03/28/1135650328.db2.gz PGBGVTGYUMPLPQ-MRXNPFEDSA-N -1 0 341.436 3.622 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2ccc(F)c3cccnc23)cc1 ZINC001197112609 1135650827 /nfs/dbraw/zinc/65/08/27/1135650827.db2.gz SOEFJCVKBZWQFQ-UHFFFAOYSA-N -1 0 341.367 3.881 20 0 EHADRM COc1cc(O)ccc1C(=O)Nc1ccc2[n-]c(=S)sc2c1 ZINC001197171502 1135656181 /nfs/dbraw/zinc/65/61/81/1135656181.db2.gz OVISEWYMSUJZCB-UHFFFAOYSA-N -1 0 332.406 3.552 20 0 EHADRM CC(C)Oc1ccccc1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC001197600508 1135713058 /nfs/dbraw/zinc/71/30/58/1135713058.db2.gz QREGCHPXAHOPCY-UHFFFAOYSA-N -1 0 341.379 3.694 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2cc(Cl)c(F)c(Cl)c2)c1 ZINC001198004503 1135760868 /nfs/dbraw/zinc/76/08/68/1135760868.db2.gz KBULFCWRKBLSDO-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM Cc1ccc2ccccc2c1[N-]S(=O)(=O)c1cccc(Cl)n1 ZINC001198188257 1135786021 /nfs/dbraw/zinc/78/60/21/1135786021.db2.gz JMOJHVDXNRTJMI-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM COCCOCc1ccc(/C=C/c2ncc(/C=C\C(=O)[O-])s2)cc1 ZINC000809153679 1135790830 /nfs/dbraw/zinc/79/08/30/1135790830.db2.gz BSETYIITYQLQHH-FFELTBSMSA-N -1 0 345.420 3.574 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)cc1C ZINC000081673292 1135807020 /nfs/dbraw/zinc/80/70/20/1135807020.db2.gz XKABLRXLHKMYSS-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CC[C@H](C)c1ccc(NS(=O)(=O)c2ccccc2C(=O)[O-])cc1 ZINC001198730012 1135849059 /nfs/dbraw/zinc/84/90/59/1135849059.db2.gz DUOCTTRZHWXMFA-LBPRGKRZSA-N -1 0 333.409 3.699 20 0 EHADRM O=S(=O)([N-]c1csc2cnccc12)c1ccc2occc2c1 ZINC001198827164 1135857311 /nfs/dbraw/zinc/85/73/11/1135857311.db2.gz UPZMWFYCPZRCKL-UHFFFAOYSA-N -1 0 330.390 3.843 20 0 EHADRM O=S(=O)([N-]c1cnc2c(F)cccc2c1)c1ccc2occc2c1 ZINC001198825595 1135857328 /nfs/dbraw/zinc/85/73/28/1135857328.db2.gz FSDUHFCPGMNNLT-UHFFFAOYSA-N -1 0 342.351 3.921 20 0 EHADRM O=S(=O)([N-]c1ccc(C(F)(F)F)nc1)c1ccc2occc2c1 ZINC001198818911 1135859132 /nfs/dbraw/zinc/85/91/32/1135859132.db2.gz URLBIMHLLJOSNB-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM O=S(=O)([N-]c1nc2c(cccc2O)s1)c1ccc2occc2c1 ZINC001198816955 1135859628 /nfs/dbraw/zinc/85/96/28/1135859628.db2.gz TUBYVZUOIOUKDV-UHFFFAOYSA-N -1 0 346.389 3.549 20 0 EHADRM COC(=O)c1oc2ccccc2c1Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203318683 1135876794 /nfs/dbraw/zinc/87/67/94/1135876794.db2.gz HIVCEMGKFUFKAA-UHFFFAOYSA-N -1 0 347.273 3.939 20 0 EHADRM CO[N-]C(=O)C(C)(C)c1csc(-c2c(F)cccc2Cl)n1 ZINC000810051153 1135916082 /nfs/dbraw/zinc/91/60/82/1135916082.db2.gz XJUUANFWTHRYLW-UHFFFAOYSA-N -1 0 328.796 3.558 20 0 EHADRM COc1cc(NC(=S)Nc2ccc3c(c2)OCCO3)ccc1[S-] ZINC001199742412 1135925599 /nfs/dbraw/zinc/92/55/99/1135925599.db2.gz FPCGORGSFXCBLH-UHFFFAOYSA-N -1 0 348.449 3.564 20 0 EHADRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)CCCc1ccccc1Cl ZINC000810580368 1135977762 /nfs/dbraw/zinc/97/77/62/1135977762.db2.gz CJEWXHGCGWFWOT-CYBMUJFWSA-N -1 0 345.892 3.545 20 0 EHADRM Cc1ncc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)s1 ZINC001201251808 1135999367 /nfs/dbraw/zinc/99/93/67/1135999367.db2.gz MWLVJIXLTRYXQY-UHFFFAOYSA-N -1 0 341.216 3.698 20 0 EHADRM O=C(OCc1csc2nccn12)c1cc2cc(Cl)sc2[nH]1 ZINC000811065915 1136042567 /nfs/dbraw/zinc/04/25/67/1136042567.db2.gz XGKWORLBDZXPBI-UHFFFAOYSA-N -1 0 337.813 3.949 20 0 EHADRM O=C(Nc1ccnc(Cl)c1[O-])Nc1ccccc1Br ZINC001201966788 1136079531 /nfs/dbraw/zinc/07/95/31/1136079531.db2.gz ABCIPBBIDZBBQJ-UHFFFAOYSA-N -1 0 342.580 3.847 20 0 EHADRM Cc1c(=O)[n-]n(-c2ccccc2)c1NC(=O)Nc1ccccc1F ZINC001202008673 1136080551 /nfs/dbraw/zinc/08/05/51/1136080551.db2.gz NEPPAIMKIDFDSV-UHFFFAOYSA-N -1 0 326.331 3.669 20 0 EHADRM Cc1ccc(SCCNC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000811815744 1136144515 /nfs/dbraw/zinc/14/45/15/1136144515.db2.gz ZTUMSHMIFBDRSF-UHFFFAOYSA-N -1 0 349.839 3.869 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)c1 ZINC000811823590 1136145932 /nfs/dbraw/zinc/14/59/32/1136145932.db2.gz VXMJFYHBYBYYCF-LBPRGKRZSA-N -1 0 349.736 3.889 20 0 EHADRM CCOc1ccc(NC(=O)c2cc(C(=O)[O-])ccc2Cl)c(C)c1 ZINC000811823950 1136146627 /nfs/dbraw/zinc/14/66/27/1136146627.db2.gz ZXOCTIHFXJBPQI-UHFFFAOYSA-N -1 0 333.771 3.998 20 0 EHADRM CO[N-]C(=O)[C@@H](Oc1cccc(Cl)c1Cl)c1ccccc1 ZINC000106737406 1136152231 /nfs/dbraw/zinc/15/22/31/1136152231.db2.gz IILALSLFEWTNQT-AWEZNQCLSA-N -1 0 326.179 3.791 20 0 EHADRM O=S(=O)([N-]c1cc2c(cn1)CCCC2)c1cccc(C(F)F)c1 ZINC000812336216 1136200259 /nfs/dbraw/zinc/20/02/59/1136200259.db2.gz ZVUZWUKCTAPDLA-UHFFFAOYSA-N -1 0 338.379 3.699 20 0 EHADRM O=C(CSc1cc(Cl)ccc1Cl)[N-]OC/C=C/Cl ZINC000812407882 1136209329 /nfs/dbraw/zinc/20/93/29/1136209329.db2.gz OSIWSJKAHCZMSZ-DAFODLJHSA-N -1 0 326.632 3.886 20 0 EHADRM C[C@H](Sc1ccc(Br)cc1)C(=O)[N-]OC1CCC1 ZINC000812790584 1136247927 /nfs/dbraw/zinc/24/79/27/1136247927.db2.gz ZBMJDUPEACHGEB-VIFPVBQESA-N -1 0 330.247 3.530 20 0 EHADRM CON(Cc1ccc(Cl)cc1)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000812800285 1136252960 /nfs/dbraw/zinc/25/29/60/1136252960.db2.gz VCYOLKQVRUPWDT-UHFFFAOYSA-N -1 0 327.714 3.528 20 0 EHADRM CC(C)OCCO[N-]C(=O)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000812804283 1136254549 /nfs/dbraw/zinc/25/45/49/1136254549.db2.gz FKCFJHSOXYJGHW-UHFFFAOYSA-N -1 0 346.254 3.888 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1)C1CC2(CC2)C1 ZINC000850740364 1136298509 /nfs/dbraw/zinc/29/85/09/1136298509.db2.gz WODIWOSLFGMYDW-UHFFFAOYSA-N -1 0 347.480 3.729 20 0 EHADRM Cc1ncc(Br)cc1NC(=O)c1ccc(Cl)c([O-])c1 ZINC001158983148 1136340021 /nfs/dbraw/zinc/34/00/21/1136340021.db2.gz ZYCIHQLKEBLSFW-UHFFFAOYSA-N -1 0 341.592 3.764 20 0 EHADRM O=C(C=C1CCC1)O[C@@H]1C[C@@H]([N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000851174714 1136346160 /nfs/dbraw/zinc/34/61/60/1136346160.db2.gz AKYHALZPLJAFER-ZIAGYGMSSA-N -1 0 339.313 3.505 20 0 EHADRM CC1(CC(=O)O[C@H]2C[C@@H]([N-]C(=O)C(F)(F)F)c3ccccc32)CC1 ZINC000851179776 1136347357 /nfs/dbraw/zinc/34/73/57/1136347357.db2.gz WQQHPSQHXQQTOY-OLZOCXBDSA-N -1 0 341.329 3.584 20 0 EHADRM CCCC(C)(C)CC(=O)[N-]S(=O)(=O)[C@H](CC)c1ccccc1 ZINC000814016231 1136386525 /nfs/dbraw/zinc/38/65/25/1136386525.db2.gz NBXJSPWMKTZRIJ-OAHLLOKOSA-N -1 0 325.474 3.800 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)c2ccccc2C(C)C)sc1C(=O)[O-] ZINC000851601643 1136395666 /nfs/dbraw/zinc/39/56/66/1136395666.db2.gz UBDKWPBUHRELPF-LLVKDONJSA-N -1 0 332.425 3.764 20 0 EHADRM C/C(=C/C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21)c1cccc(F)c1 ZINC000851619239 1136396329 /nfs/dbraw/zinc/39/63/29/1136396329.db2.gz RZZWFYRIPXDXKP-FBHXSIJDSA-N -1 0 345.414 3.721 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N2CCC[C@H](C3CCCCC3)C2)o1 ZINC000851625206 1136396757 /nfs/dbraw/zinc/39/67/57/1136396757.db2.gz UKCBTECTYPHUJG-GDXASINISA-N -1 0 331.412 3.810 20 0 EHADRM O=S(=O)([N-]Cc1cc(Cl)cc(Cl)c1Cl)C(F)(F)F ZINC001252391380 1136419502 /nfs/dbraw/zinc/41/95/02/1136419502.db2.gz SWLZBAHQSLKLSH-UHFFFAOYSA-N -1 0 342.553 3.586 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1scnc1C(C)C)CC(=O)[O-] ZINC000853095973 1136509163 /nfs/dbraw/zinc/50/91/63/1136509163.db2.gz HTYYXMIGUFUGGZ-NSHDSACASA-N -1 0 327.450 3.525 20 0 EHADRM COc1cccc2c1[C@@H](C(=O)Nc1ccc3[n-]c(=S)oc3c1)CC2 ZINC000815815122 1136639928 /nfs/dbraw/zinc/63/99/28/1136639928.db2.gz MEEXBNVXJGHELR-LBPRGKRZSA-N -1 0 340.404 3.794 20 0 EHADRM COc1cccc2c1[C@H](C(=O)Nc1ccc3[n-]c(=S)oc3c1)CC2 ZINC000815815121 1136639952 /nfs/dbraw/zinc/63/99/52/1136639952.db2.gz MEEXBNVXJGHELR-GFCCVEGCSA-N -1 0 340.404 3.794 20 0 EHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCCc2ccccc2CC1 ZINC000854842675 1136647689 /nfs/dbraw/zinc/64/76/89/1136647689.db2.gz MPYFCDYLDJGTHF-UHFFFAOYSA-N -1 0 338.432 3.748 20 0 EHADRM CCC(CC)[C@@H](C)C(=O)[N-]S(=O)(=O)[C@@H](c1ccccc1)C(C)C ZINC000816112490 1136678171 /nfs/dbraw/zinc/67/81/71/1136678171.db2.gz VZHLBACZRFLYMR-RHSMWYFYSA-N -1 0 339.501 3.902 20 0 EHADRM C[C@H](NC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])c1ccccc1 ZINC001135441194 1136689517 /nfs/dbraw/zinc/68/95/17/1136689517.db2.gz QUOQRLLZSRHHSD-ZDUSSCGKSA-N -1 0 335.359 3.956 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC([C@@H]2CCCCO2)CC1 ZINC000855948669 1136743451 /nfs/dbraw/zinc/74/34/51/1136743451.db2.gz QIAISJNZROAPKB-HNNXBMFYSA-N -1 0 346.452 3.538 20 0 EHADRM C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)[N-]Oc1ccccc1 ZINC000816684603 1136748512 /nfs/dbraw/zinc/74/85/12/1136748512.db2.gz IYHRWOGOFZEYBW-JTQLQIEISA-N -1 0 326.179 3.871 20 0 EHADRM Cc1ccc2c(CSc3nc(C)c(C)c(=O)[nH]3)cc(=O)oc2c1C ZINC000776871120 1136753197 /nfs/dbraw/zinc/75/31/97/1136753197.db2.gz VLKOXFHYVHVNRM-UHFFFAOYSA-N -1 0 342.420 3.815 20 0 EHADRM CN(C[C@H]1CCc2ccccc21)C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000856305141 1136774162 /nfs/dbraw/zinc/77/41/62/1136774162.db2.gz MUTYJNNTFBWLLV-CQSZACIVSA-N -1 0 338.432 3.919 20 0 EHADRM C[C@H](Sc1ccc(Br)cc1)C(=O)[N-]OCCC1CC1 ZINC000817393823 1136804122 /nfs/dbraw/zinc/80/41/22/1136804122.db2.gz XSCAFJJKLYNHLW-JTQLQIEISA-N -1 0 344.274 3.778 20 0 EHADRM CC(C)(C(=O)[N-]OCCC1CC1)c1ccccc1Br ZINC000817416437 1136806584 /nfs/dbraw/zinc/80/65/84/1136806584.db2.gz GLKUWALUGWBUQC-UHFFFAOYSA-N -1 0 326.234 3.575 20 0 EHADRM CCCC(O)(CCC)CC(=O)Nc1cccc(O)c1Br ZINC000818026624 1136856286 /nfs/dbraw/zinc/85/62/86/1136856286.db2.gz CUOPCMRKOJQKRP-UHFFFAOYSA-N -1 0 344.249 3.815 20 0 EHADRM O=C(Nc1cccc(-n2cccn2)c1)c1cccc(C(F)(F)F)c1[O-] ZINC001136240125 1136951965 /nfs/dbraw/zinc/95/19/65/1136951965.db2.gz AFZHYDLBPDRKST-UHFFFAOYSA-N -1 0 347.296 3.849 20 0 EHADRM CC(C)(C)c1ccc([C@@H](O)CNC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000116456902 1136998968 /nfs/dbraw/zinc/99/89/68/1136998968.db2.gz KECGIKXYTAXZSI-KRWDZBQOSA-N -1 0 347.842 3.807 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)n2)cc1 ZINC000116601085 1137007956 /nfs/dbraw/zinc/00/79/56/1137007956.db2.gz RILJVKZTUBBWQH-UHFFFAOYSA-N -1 0 348.371 3.623 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc3ocnc32)s1 ZINC000821089064 1137016922 /nfs/dbraw/zinc/01/69/22/1137016922.db2.gz AYOIZQCZLATSMZ-UHFFFAOYSA-N -1 0 336.438 3.988 20 0 EHADRM O=C([N-]O[C@H]1CCCCO1)/C(F)=C/c1ccc(C(F)(F)F)cc1 ZINC001136460289 1137031095 /nfs/dbraw/zinc/03/10/95/1137031095.db2.gz XRXPQVYIVAQUSA-SUIFULHWSA-N -1 0 333.281 3.590 20 0 EHADRM CCCC[C@H](CCC)NC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC000859888512 1137035899 /nfs/dbraw/zinc/03/58/99/1137035899.db2.gz FJZBRCKHJTVHIX-NSHDSACASA-N -1 0 348.365 3.547 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)N3CC4(C3)CCCCC4)c([O-])c2)o1 ZINC000821788606 1137038458 /nfs/dbraw/zinc/03/84/58/1137038458.db2.gz VXKDULQSIZKUKT-UHFFFAOYSA-N -1 0 339.391 3.871 20 0 EHADRM CN(CCCOc1ccc(F)cc1)C(=O)c1ccc(Cl)c([O-])c1 ZINC001136505700 1137039522 /nfs/dbraw/zinc/03/95/22/1137039522.db2.gz QPFWBJMVEQISMR-UHFFFAOYSA-N -1 0 337.778 3.726 20 0 EHADRM Cc1n[nH]c(C(=O)N[C@@H](C)c2ccccc2Oc2ccccc2)c1[O-] ZINC001136524202 1137045946 /nfs/dbraw/zinc/04/59/46/1137045946.db2.gz VZFVJYBIDQFRQO-LBPRGKRZSA-N -1 0 337.379 3.707 20 0 EHADRM CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1cccc(Cl)c1[O-] ZINC000860444597 1137060517 /nfs/dbraw/zinc/06/05/17/1137060517.db2.gz DBWOSWOACSICRD-SNVBAGLBSA-N -1 0 342.823 3.630 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nc(C(C)(C)C)cs2)cnc1Cl ZINC000117540274 1137063418 /nfs/dbraw/zinc/06/34/18/1137063418.db2.gz JNSUQFQXDVKOGK-UHFFFAOYSA-N -1 0 345.877 3.598 20 0 EHADRM CC(C)N(C)c1ccc(NC(=O)c2nc[nH]c2C(F)(F)F)cc1F ZINC000822847165 1137076630 /nfs/dbraw/zinc/07/66/30/1137076630.db2.gz DQJXYDDLDJTHRS-UHFFFAOYSA-N -1 0 344.312 3.665 20 0 EHADRM CCC[C@H](C(=O)[N-]S(=O)(=O)C1(CC)CC1)c1cccc(Cl)c1 ZINC000860803999 1137079263 /nfs/dbraw/zinc/07/92/63/1137079263.db2.gz YDWVIPGGTBYHPM-AWEZNQCLSA-N -1 0 343.876 3.612 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1 ZINC000013403145 1137080947 /nfs/dbraw/zinc/08/09/47/1137080947.db2.gz DAOMCDOUHFCKSO-RMKNXTFCSA-N -1 0 333.290 3.638 20 0 EHADRM O=C(Nc1cccc(NC2CCCC2)c1)c1n[n-]c2ccccc2c1=O ZINC000117977786 1137091953 /nfs/dbraw/zinc/09/19/53/1137091953.db2.gz OUTDSSVSUKTQGO-UHFFFAOYSA-N -1 0 348.406 3.530 20 0 EHADRM Cc1cccc2c1CCN(C(=O)c1cccc(C(F)(F)F)c1[O-])C2 ZINC001136701639 1137095104 /nfs/dbraw/zinc/09/51/04/1137095104.db2.gz HWUPKECCMJEOOJ-UHFFFAOYSA-N -1 0 335.325 3.918 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)c1cc(=O)n(C)[n-]1)[C@@H]1CCC[C@@H](C)C1 ZINC001136732390 1137104000 /nfs/dbraw/zinc/10/40/00/1137104000.db2.gz WPJHICJERORKBR-ZXYWRSMDSA-N -1 0 341.455 3.732 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)c3ncc(C)cc3[O-])cc2)nc1 ZINC001136741688 1137105648 /nfs/dbraw/zinc/10/56/48/1137105648.db2.gz NRAGYCOAUWFFIV-UHFFFAOYSA-N -1 0 335.363 3.844 20 0 EHADRM C/C(=C/C(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1cccc(Cl)c1 ZINC000823855305 1137116571 /nfs/dbraw/zinc/11/65/71/1137116571.db2.gz MVYSQDXTOOGNJM-QLKUMGTLSA-N -1 0 335.831 3.847 20 0 EHADRM CC(=O)CCCCCCNC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000862077835 1137128740 /nfs/dbraw/zinc/12/87/40/1137128740.db2.gz PJBPIOCSMZJLCW-UHFFFAOYSA-N -1 0 331.334 3.680 20 0 EHADRM O=C(NCCSc1ccccc1)c1ccc2[n-]c(=S)oc2c1 ZINC000118758938 1137129581 /nfs/dbraw/zinc/12/95/81/1137129581.db2.gz KFIOLICRUORGHM-UHFFFAOYSA-N -1 0 330.434 3.639 20 0 EHADRM O=C(Nc1ccccc1-n1cccn1)c1ccc2[n-]c(=S)oc2c1 ZINC000118876089 1137138012 /nfs/dbraw/zinc/13/80/12/1137138012.db2.gz GNJFUEKMMQIWPU-UHFFFAOYSA-N -1 0 336.376 3.555 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCC(Oc2cccc(F)c2)CC1 ZINC000862425826 1137143848 /nfs/dbraw/zinc/14/38/48/1137143848.db2.gz MKBGECBSEFZYML-UHFFFAOYSA-N -1 0 349.789 3.868 20 0 EHADRM CCCO[N-]C(=O)[C@H]1CCCc2sc(Nc3ccccc3)nc21 ZINC000844090233 1137196869 /nfs/dbraw/zinc/19/68/69/1137196869.db2.gz IVSGFXSDKYDTFF-ZDUSSCGKSA-N -1 0 331.441 3.764 20 0 EHADRM C[C@@H](C1CC1)n1nccc1NC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC001143759999 1137198064 /nfs/dbraw/zinc/19/80/64/1137198064.db2.gz VYGVGXMVBPUFDH-VIFPVBQESA-N -1 0 339.317 3.831 20 0 EHADRM COC(=O)c1cccc([C@H](C)Nc2ccc3c(c2)NC(=S)C3)c1 ZINC001171112003 1137203451 /nfs/dbraw/zinc/20/34/51/1137203451.db2.gz XBPTYWCRFFEJDI-NSHDSACASA-N -1 0 326.421 3.942 20 0 EHADRM Cc1noc(C)c1[C@@H](C)NCc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000794563849 1137203754 /nfs/dbraw/zinc/20/37/54/1137203754.db2.gz XVDNRROGHUYWDK-MRVPVSSYSA-N -1 0 348.786 3.608 20 0 EHADRM O=C([O-])c1nnc2ccccc2c1N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000844213813 1137204619 /nfs/dbraw/zinc/20/46/19/1137204619.db2.gz MZNYISQTOLZIPI-WMLDXEAASA-N -1 0 349.390 3.660 20 0 EHADRM C[C@H](CCc1ccc(F)cc1)C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000864098606 1137214819 /nfs/dbraw/zinc/21/48/19/1137214819.db2.gz OEEAXYQZYVMHNN-SIUPPRGNSA-N -1 0 347.430 3.639 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000864098581 1137214859 /nfs/dbraw/zinc/21/48/59/1137214859.db2.gz NUGQXRDEQOHUJR-SFHVURJKSA-N -1 0 346.452 3.614 20 0 EHADRM CCc1cc2c(CC(=O)N3CCCC[C@H]3C(=O)[O-])csc2s1 ZINC000864100424 1137214984 /nfs/dbraw/zinc/21/49/84/1137214984.db2.gz SZHXBZVYAHBVMT-ZDUSSCGKSA-N -1 0 337.466 3.533 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC000864115962 1137215733 /nfs/dbraw/zinc/21/57/33/1137215733.db2.gz JYEISALNHVAOAT-JKSUJKDBSA-N -1 0 339.391 3.539 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)/C=C\c2cc(C(=O)[O-])co2)c1C ZINC000864112371 1137215800 /nfs/dbraw/zinc/21/58/00/1137215800.db2.gz WSXXGLZDVBPUBD-CNZFZVQHSA-N -1 0 339.391 3.972 20 0 EHADRM Cc1ccc(C(=O)N2CCC[C@H]2CCc2ccccc2)cc1C(=O)[O-] ZINC000864125268 1137216325 /nfs/dbraw/zinc/21/63/25/1137216325.db2.gz QJWHDMFIORFQIV-SFHVURJKSA-N -1 0 337.419 3.931 20 0 EHADRM CCC[C@H](C(=O)N1CCC(C)(C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000864132987 1137216662 /nfs/dbraw/zinc/21/66/62/1137216662.db2.gz XPUPCJVNSWEJQG-HNNXBMFYSA-N -1 0 337.847 3.937 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)CCc2cccc3ccccc32)C1 ZINC000864132880 1137216781 /nfs/dbraw/zinc/21/67/81/1137216781.db2.gz XHWIVGGKLOUTMW-MRXNPFEDSA-N -1 0 339.435 3.876 20 0 EHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)/C=C/c1csc(C(F)(F)F)c1 ZINC000864141967 1137216824 /nfs/dbraw/zinc/21/68/24/1137216824.db2.gz UJXYZTKZEDOSHP-ISZGNANSSA-N -1 0 349.374 3.786 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)/C=C/c2cc(C(=O)[O-])co2)C1 ZINC000864138195 1137216943 /nfs/dbraw/zinc/21/69/43/1137216943.db2.gz YMQTUJSGYIQVPH-OPWVJEHFSA-N -1 0 343.354 3.740 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2ccc3c(c2)OC(C)(C)C3)c1 ZINC000864149607 1137217200 /nfs/dbraw/zinc/21/72/00/1137217200.db2.gz UCCIKFZIFZFHDF-GFCCVEGCSA-N -1 0 339.391 3.841 20 0 EHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000864176309 1137217857 /nfs/dbraw/zinc/21/78/57/1137217857.db2.gz QQTICOZEKHIKQU-VQBXELSSSA-N -1 0 347.842 3.845 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N[C@@H]2CCc3ccc(Cl)cc32)cc1 ZINC000864178708 1137218046 /nfs/dbraw/zinc/21/80/46/1137218046.db2.gz KDNMFNWAZMDOCX-QGZVFWFLSA-N -1 0 343.810 3.775 20 0 EHADRM Cc1ccc(N(CC2CC2)C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1F ZINC000864179078 1137218086 /nfs/dbraw/zinc/21/80/86/1137218086.db2.gz PQSHKXDXPRQLJS-GJZGRUSLSA-N -1 0 333.403 3.768 20 0 EHADRM CC[C@H](Cc1cn(C)c2ccccc12)NC(=O)CC(C)(C)CC(=O)[O-] ZINC000864190111 1137218321 /nfs/dbraw/zinc/21/83/21/1137218321.db2.gz YKVNFWABOSOGDP-OAHLLOKOSA-N -1 0 344.455 3.507 20 0 EHADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1(c3ccc(Cl)cc3)CCCC1)C2 ZINC000864208047 1137218870 /nfs/dbraw/zinc/21/88/70/1137218870.db2.gz UAFIXPPJWGVRBD-WTANOLMUSA-N -1 0 347.842 3.521 20 0 EHADRM CCC(CC)(CNC(=O)c1cc(C)cc(C(=O)[O-])c1)C(F)(F)F ZINC000864201764 1137218879 /nfs/dbraw/zinc/21/88/79/1137218879.db2.gz FYHIXMPLJAZUPU-UHFFFAOYSA-N -1 0 331.334 3.792 20 0 EHADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)c1ccc(-c3ccccc3Cl)o1)C2 ZINC000864209206 1137218967 /nfs/dbraw/zinc/21/89/67/1137218967.db2.gz VOUCXYFOPYVKSV-DDBGAENHSA-N -1 0 345.782 3.583 20 0 EHADRM CC[C@H](C)[C@H](C)C(=O)N1CCC(c2nc(C)c(C(=O)[O-])s2)CC1 ZINC000864225580 1137219038 /nfs/dbraw/zinc/21/90/38/1137219038.db2.gz WUAOZJNBMSLBHW-QWRGUYRKSA-N -1 0 338.473 3.538 20 0 EHADRM Cc1ccc(C(=O)NC[C@@H]2CC=CC[C@H]2C(F)(F)F)cc1C(=O)[O-] ZINC000864215505 1137219200 /nfs/dbraw/zinc/21/92/00/1137219200.db2.gz AOCVQXWVTNPNPL-GXTWGEPZSA-N -1 0 341.329 3.568 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C[C@@H](O)c2ccc(Cl)cc2)c1 ZINC000794610762 1137220722 /nfs/dbraw/zinc/22/07/22/1137220722.db2.gz SZBUCDBXSJUDIW-QGZVFWFLSA-N -1 0 347.798 3.701 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]C(=O)CCCCC(C)(C)C ZINC000805937900 1137228687 /nfs/dbraw/zinc/22/86/87/1137228687.db2.gz PIDHXDWFBUPOOT-UHFFFAOYSA-N -1 0 325.474 3.660 20 0 EHADRM C[C@@H](NCc1cccc(OC(C)(C)C)c1)c1ncc(C(=O)[O-])s1 ZINC000864517059 1137231522 /nfs/dbraw/zinc/23/15/22/1137231522.db2.gz UHCODZJCDNOFFP-LLVKDONJSA-N -1 0 334.441 3.869 20 0 EHADRM CC(C)(C)c1csc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2F)n1 ZINC000864517737 1137231586 /nfs/dbraw/zinc/23/15/86/1137231586.db2.gz YKLSYZZJBPXZKH-CQSZACIVSA-N -1 0 340.395 3.634 20 0 EHADRM Cc1c(CSC(C)C)cccc1NCc1cn(C)nc1C(=O)[O-] ZINC000864784523 1137245990 /nfs/dbraw/zinc/24/59/90/1137245990.db2.gz XKKPAEHKBIXYTM-UHFFFAOYSA-N -1 0 333.457 3.680 20 0 EHADRM O=C(CCC1CC1)[N-]S(=O)(=O)c1ccc2c(c1)oc1ccccc12 ZINC000845826246 1137313161 /nfs/dbraw/zinc/31/31/61/1137313161.db2.gz RUVCWXSNZRCGOD-UHFFFAOYSA-N -1 0 343.404 3.581 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1C[C@H]2CCCN2c2ccccc21 ZINC001144634567 1137321544 /nfs/dbraw/zinc/32/15/44/1137321544.db2.gz VXTDORIMYAJXMJ-CYBMUJFWSA-N -1 0 328.799 3.675 20 0 EHADRM CC(C)n1ccc([N-]S(=O)(=O)/C=C\c2ccccc2Cl)n1 ZINC000794884734 1137323211 /nfs/dbraw/zinc/32/32/11/1137323211.db2.gz ROQNMCRYHRCRCW-NTMALXAHSA-N -1 0 325.821 3.530 20 0 EHADRM O=C([O-])c1ccsc1CN1CCSC[C@H]1c1ccc(F)cc1 ZINC001144677598 1137327907 /nfs/dbraw/zinc/32/79/07/1137327907.db2.gz WVBMQRQDBYXQEE-AWEZNQCLSA-N -1 0 337.441 3.876 20 0 EHADRM O=C(NCCC[C@H]1CC1(Cl)Cl)c1cc(F)c([O-])c(Cl)c1 ZINC000846588083 1137357905 /nfs/dbraw/zinc/35/79/05/1137357905.db2.gz OZMMLDHFHQIIOZ-QMMMGPOBSA-N -1 0 340.609 3.889 20 0 EHADRM O=C([O-])c1ccc(NCc2cccc(OCC3CCCCC3)c2)nn1 ZINC001171261133 1137384562 /nfs/dbraw/zinc/38/45/62/1137384562.db2.gz SVWNSXOXEQMTRW-UHFFFAOYSA-N -1 0 341.411 3.746 20 0 EHADRM O=C([N-]Oc1ccc(F)cc1)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC001146552376 1137391784 /nfs/dbraw/zinc/39/17/84/1137391784.db2.gz SDCMJZNLZWTVNG-UHFFFAOYSA-N -1 0 339.288 3.986 20 0 EHADRM C[C@H]1CN(C(=O)c2c([O-])cnc3c(F)cccc32)c2ccccc2O1 ZINC001147006876 1137398816 /nfs/dbraw/zinc/39/88/16/1137398816.db2.gz HBBAEPKCYKWBMW-NSHDSACASA-N -1 0 338.338 3.507 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2C[C@H](C)CCC[C@H]2C)n1 ZINC001147052749 1137399269 /nfs/dbraw/zinc/39/92/69/1137399269.db2.gz ZVDLOFCQQXLGPG-HUUCEWRRSA-N -1 0 341.455 3.791 20 0 EHADRM CCO[C@H]1C[C@H](N(C)C(=O)c2cc(Cl)cc(Cl)c2[O-])C1(C)C ZINC001147632515 1137410320 /nfs/dbraw/zinc/41/03/20/1137410320.db2.gz HVOVNMCBJJFLMG-STQMWFEESA-N -1 0 346.254 3.975 20 0 EHADRM CC(C)(C)c1ccc(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)cn1 ZINC001147806511 1137412462 /nfs/dbraw/zinc/41/24/62/1137412462.db2.gz WWNQKJICSJUVSF-UHFFFAOYSA-N -1 0 336.395 3.523 20 0 EHADRM CC[C@@H](C)C[C@H](C)NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC001147862969 1137414522 /nfs/dbraw/zinc/41/45/22/1137414522.db2.gz ZFLHVBOXVLOLDX-YPMHNXCESA-N -1 0 333.407 3.580 20 0 EHADRM O=C(NCc1cnc2[nH]ccc2c1)c1cc(Cl)cc(Cl)c1[O-] ZINC001148811409 1137435596 /nfs/dbraw/zinc/43/55/96/1137435596.db2.gz IKFNSJYFFJKVPO-UHFFFAOYSA-N -1 0 336.178 3.505 20 0 EHADRM O=C(N[C@@H]1CCc2c1cccc2O)c1cc(Cl)cc(Cl)c1[O-] ZINC001148813888 1137435752 /nfs/dbraw/zinc/43/57/52/1137435752.db2.gz LQEXVFZJJDGIGR-CYBMUJFWSA-N -1 0 338.190 3.822 20 0 EHADRM O=C(NCC(F)(F)c1ccccn1)c1cc(Cl)cc(Cl)c1[O-] ZINC001148813749 1137435767 /nfs/dbraw/zinc/43/57/67/1137435767.db2.gz GEEOAKUNALGEFO-UHFFFAOYSA-N -1 0 347.148 3.616 20 0 EHADRM C[C@H](Oc1cccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)c1)C(=O)[O-] ZINC000208114417 1137484229 /nfs/dbraw/zinc/48/42/29/1137484229.db2.gz YAFBQIKAHFMWLQ-CYANDVJASA-N -1 0 343.766 3.685 20 0 EHADRM O=C(NCc1ccc(OC(F)F)cc1F)c1ccc([O-])c(Cl)c1 ZINC001171695275 1137507562 /nfs/dbraw/zinc/50/75/62/1137507562.db2.gz RCSXGLCIYQZXKK-UHFFFAOYSA-N -1 0 345.704 3.716 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NCc1cc[nH]n1)c1cc(Cl)cc(Cl)c1 ZINC000871065529 1137520526 /nfs/dbraw/zinc/52/05/26/1137520526.db2.gz HHJXHGHZDDEVQI-CYBMUJFWSA-N -1 0 342.226 3.658 20 0 EHADRM CC(C)CCc1cc(=O)n(-c2nc(-c3ccccn3)nc3c2CCC3)[n-]1 ZINC000871951902 1137563551 /nfs/dbraw/zinc/56/35/51/1137563551.db2.gz SVBJFZHRSOTFBN-UHFFFAOYSA-N -1 0 349.438 3.556 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(F)cc2Cl)noc1C(C)(C)C ZINC000872007072 1137564319 /nfs/dbraw/zinc/56/43/19/1137564319.db2.gz JFPSFAQVSQRAIM-UHFFFAOYSA-N -1 0 346.811 3.874 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc3ncccc3c2)noc1C(C)(C)C ZINC000872007263 1137564416 /nfs/dbraw/zinc/56/44/16/1137564416.db2.gz NAHIZYPGQMUULM-UHFFFAOYSA-N -1 0 345.424 3.630 20 0 EHADRM Cc1ccc(CN2CCO[C@H](CCc3ccccc3)C2)cc1C(=O)[O-] ZINC000872159220 1137574488 /nfs/dbraw/zinc/57/44/88/1137574488.db2.gz QFLLCLXHIUTYNN-LJQANCHMSA-N -1 0 339.435 3.527 20 0 EHADRM O=C([O-])c1ccc(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)cc1Cl ZINC000872163120 1137574643 /nfs/dbraw/zinc/57/46/43/1137574643.db2.gz WVDOWEMNNQDULC-OAHLLOKOSA-N -1 0 337.847 3.962 20 0 EHADRM O=C([O-])[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000872163235 1137574674 /nfs/dbraw/zinc/57/46/74/1137574674.db2.gz BBKFBHCSYHULCF-BFVZDQMLSA-N -1 0 346.279 3.804 20 0 EHADRM CC1(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)CC(F)(F)C1 ZINC000872714450 1137583039 /nfs/dbraw/zinc/58/30/39/1137583039.db2.gz OJWIWXYTAXXZTK-UHFFFAOYSA-N -1 0 343.395 3.768 20 0 EHADRM CC(C)(C)Oc1cccc(CNC(=O)CC2CCC(C(=O)[O-])CC2)c1 ZINC000872754657 1137583950 /nfs/dbraw/zinc/58/39/50/1137583950.db2.gz GXSROLRVRWHDCV-UHFFFAOYSA-N -1 0 347.455 3.761 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)[C@@H]1C[C@@H]1c1ccc3ccccc3c1)CC2 ZINC000872767024 1137584097 /nfs/dbraw/zinc/58/40/97/1137584097.db2.gz HTULATPPKURKKR-YXTQBTIXSA-N -1 0 349.430 3.799 20 0 EHADRM Cc1ccc(CCCCC(=O)N2CC[C@]3(C(=O)[O-])CCC[C@H]23)cc1 ZINC000872768975 1137584137 /nfs/dbraw/zinc/58/41/37/1137584137.db2.gz WPECDVPZRMSJRU-FXAWDEMLSA-N -1 0 329.440 3.564 20 0 EHADRM O=C([O-])[C@@]1(CC(=O)N2CCC[C@H]2c2ccccc2)CCc2ccccc21 ZINC000872889669 1137586114 /nfs/dbraw/zinc/58/61/14/1137586114.db2.gz BREIWAZMOIQCSK-SIKLNZKXSA-N -1 0 349.430 3.709 20 0 EHADRM O=C([O-])C1=C(C(=O)N[C@H]2CC3(CCC3)Oc3ccccc32)CCCC1 ZINC000872954198 1137586884 /nfs/dbraw/zinc/58/68/84/1137586884.db2.gz UHCIFONANMEXMB-INIZCTEOSA-N -1 0 341.407 3.504 20 0 EHADRM CC1CCC(OC2CCN(C(=O)C3=C(C(=O)[O-])CCCC3)CC2)CC1 ZINC000872950629 1137586908 /nfs/dbraw/zinc/58/69/08/1137586908.db2.gz YPWSQQWLIQWJBP-UHFFFAOYSA-N -1 0 349.471 3.528 20 0 EHADRM O=C([O-])[C@@H](CC(=O)N[C@H]1CCc2ccc(Cl)cc21)c1ccccc1 ZINC000872993706 1137587636 /nfs/dbraw/zinc/58/76/36/1137587636.db2.gz FBQVDIBFCPYRGW-IRXDYDNUSA-N -1 0 343.810 3.702 20 0 EHADRM O=Cc1cc(-c2ccc(OC(F)(F)F)cc2)ccc1OCC(=O)[O-] ZINC000874970053 1137627215 /nfs/dbraw/zinc/62/72/15/1137627215.db2.gz KSHKYKRKABPLGY-UHFFFAOYSA-N -1 0 340.253 3.528 20 0 EHADRM O=Cc1cc(-c2ccccc2OC(F)(F)F)ccc1OCC(=O)[O-] ZINC000874969105 1137627216 /nfs/dbraw/zinc/62/72/16/1137627216.db2.gz CTNYAOGXHVLDCK-UHFFFAOYSA-N -1 0 340.253 3.528 20 0 EHADRM O=C1N[C@@H](c2cc(Cl)c([O-])cc2Cl)Nc2cc(F)c(F)cc21 ZINC000877858296 1137693775 /nfs/dbraw/zinc/69/37/75/1137693775.db2.gz IRYSUYCWYHKONF-ZDUSSCGKSA-N -1 0 345.132 3.831 20 0 EHADRM CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000127025914 1137709854 /nfs/dbraw/zinc/70/98/54/1137709854.db2.gz MRDOHDHYPATPFL-CQSZACIVSA-N -1 0 335.469 3.636 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]C(=O)CCCc2ccccc2)c1 ZINC000129937319 1137832482 /nfs/dbraw/zinc/83/24/82/1137832482.db2.gz GVABPQHFEUJMKE-UHFFFAOYSA-N -1 0 345.464 3.638 20 0 EHADRM COc1ccc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c(O)c1 ZINC000130107893 1137834097 /nfs/dbraw/zinc/83/40/97/1137834097.db2.gz GHJCDCRDADQZOT-UHFFFAOYSA-N -1 0 328.151 3.666 20 0 EHADRM CSc1ccc(F)cc1-c1cc(C(F)(F)F)c(C(=O)[O-])nn1 ZINC001205968888 1137874928 /nfs/dbraw/zinc/87/49/28/1137874928.db2.gz MNNAYDLXQVJVKS-UHFFFAOYSA-N -1 0 332.278 3.722 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@@H](CC)c2cccc(Cl)c2)s1 ZINC000348256827 1137885262 /nfs/dbraw/zinc/88/52/62/1137885262.db2.gz OWDAWVKXVDFXAN-LBPRGKRZSA-N -1 0 338.864 3.839 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N[C@@H]2CCc3ccccc32)s1 ZINC000348290187 1137903502 /nfs/dbraw/zinc/90/35/02/1137903502.db2.gz FANHSRTYSQGHKC-CQSZACIVSA-N -1 0 330.457 3.673 20 0 EHADRM CC1(C)CCc2nc([N-]S(=O)(=O)c3cccs3)sc2C1 ZINC000331744579 1137919031 /nfs/dbraw/zinc/91/90/31/1137919031.db2.gz CETWWCWDCHGCJV-UHFFFAOYSA-N -1 0 328.484 3.520 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3C[C@@H](C)C[C@@H]3C)n2)cc1 ZINC000332089713 1137931413 /nfs/dbraw/zinc/93/14/13/1137931413.db2.gz ALJZGMLSZMXTIP-KBPBESRZSA-N -1 0 327.428 3.572 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3C[C@@H](C)C[C@H]3C)n2)cc1 ZINC000332089715 1137931430 /nfs/dbraw/zinc/93/14/30/1137931430.db2.gz ALJZGMLSZMXTIP-UONOGXRCSA-N -1 0 327.428 3.572 20 0 EHADRM C[C@@H](C1CCCCC1)N(C)C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000332282316 1137938354 /nfs/dbraw/zinc/93/83/54/1137938354.db2.gz DZHJYMDBYOHUEQ-ZDUSSCGKSA-N -1 0 345.418 3.758 20 0 EHADRM O=C(N[C@@H](C[C@H]1CCOC1)c1ccccc1)c1ccc([O-])c(Cl)c1 ZINC000119861206 1137944879 /nfs/dbraw/zinc/94/48/79/1137944879.db2.gz NGAUXESTRFIRNB-DYVFJYSZSA-N -1 0 345.826 3.943 20 0 EHADRM CC(C)(C)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1O ZINC000332628737 1137949476 /nfs/dbraw/zinc/94/94/76/1137949476.db2.gz OZWAKNPGYOYEDT-UHFFFAOYSA-N -1 0 347.436 3.521 20 0 EHADRM O=C(c1ccc2ccc(O)cc2c1O)N1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000885219076 1137988796 /nfs/dbraw/zinc/98/87/96/1137988796.db2.gz IDWDSHNLSLGBRO-DNVCBOLYSA-N -1 0 337.419 3.902 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1s[n-]c(=O)c1Cl ZINC000282942456 1138019880 /nfs/dbraw/zinc/01/98/80/1138019880.db2.gz DNCWJRJJNVTSEV-QMMMGPOBSA-N -1 0 345.251 3.859 20 0 EHADRM Cc1cnc(Cl)c(S(=O)(=O)[N-]c2ccc(C3CCC3)cn2)c1 ZINC000886406382 1138073596 /nfs/dbraw/zinc/07/35/96/1138073596.db2.gz XNLLPKKTTSOMKH-UHFFFAOYSA-N -1 0 337.832 3.507 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)CC(c1ccccc1)c1ccccc1 ZINC000075249324 1138126513 /nfs/dbraw/zinc/12/65/13/1138126513.db2.gz IUNBTDLVGKNCIR-UHFFFAOYSA-N -1 0 325.408 3.532 20 0 EHADRM CC1CCN(c2ccc([N-]S(=O)(=O)c3ccccc3F)cc2)CC1 ZINC000139285085 1138171810 /nfs/dbraw/zinc/17/18/10/1138171810.db2.gz RSOJTXXVSOXTKE-UHFFFAOYSA-N -1 0 348.443 3.863 20 0 EHADRM CCSCc1ccnc([N-]S(=O)(=O)c2ccc(C)s2)c1 ZINC000090367903 1138210548 /nfs/dbraw/zinc/21/05/48/1138210548.db2.gz IHWRNIPDDTWEEB-UHFFFAOYSA-N -1 0 328.484 3.505 20 0 EHADRM CCCOc1ccc(NC(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1C(C)C ZINC000887394366 1138302404 /nfs/dbraw/zinc/30/24/04/1138302404.db2.gz OSBPYNAUEVAGJF-IBGZPJMESA-N -1 0 348.443 3.927 20 0 EHADRM Cc1nc(CN[C@]2(C(=O)[O-])CCC(C)(C)c3ccccc32)cs1 ZINC000336863668 1138417702 /nfs/dbraw/zinc/41/77/02/1138417702.db2.gz JYFUWVOKKNVMHB-GOSISDBHSA-N -1 0 330.453 3.593 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N[C@H]2C[C@@H]2c2ccccc2)s1 ZINC000336917674 1138427185 /nfs/dbraw/zinc/42/71/85/1138427185.db2.gz DAEUTSVNMIOBBA-KGLIPLIRSA-N -1 0 330.457 3.541 20 0 EHADRM CCc1nc2c(s1)[C@H](N(C)C(=O)c1c([O-])cccc1F)CCC2 ZINC000130027961 1138432177 /nfs/dbraw/zinc/43/21/77/1138432177.db2.gz OIDAPXYMLGRHJX-GFCCVEGCSA-N -1 0 334.416 3.700 20 0 EHADRM CC(C)N(Cc1c([O-])nnn1-c1ccccc1)Cc1cccc(F)c1 ZINC000337172150 1138485404 /nfs/dbraw/zinc/48/54/04/1138485404.db2.gz LYXNUXFGFMNSHX-UHFFFAOYSA-N -1 0 340.402 3.523 20 0 EHADRM O=C([O-])CC1(CC(=O)NC[C@H]2CCCC(F)(F)C2)CCCCC1 ZINC000337679033 1138641587 /nfs/dbraw/zinc/64/15/87/1138641587.db2.gz ZWYXDFZUECRNNZ-ZDUSSCGKSA-N -1 0 331.403 3.743 20 0 EHADRM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cnc3ccccc3c2)c1 ZINC000337758254 1138660663 /nfs/dbraw/zinc/66/06/63/1138660663.db2.gz NDJJJOZSIRFNGD-ZDUSSCGKSA-N -1 0 342.420 3.743 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)cnc2C)cn1 ZINC000337782571 1138666658 /nfs/dbraw/zinc/66/66/58/1138666658.db2.gz URMICCWBPQYDBT-UHFFFAOYSA-N -1 0 339.420 3.561 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2C)c1 ZINC000337798806 1138670950 /nfs/dbraw/zinc/67/09/50/1138670950.db2.gz FLTQSIMNFRFECS-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM CO[C@H](C)c1nc(=N[C@@H]2COc3c2ccc(Cl)c3Cl)s[n-]1 ZINC000337847493 1138681409 /nfs/dbraw/zinc/68/14/09/1138681409.db2.gz DNAUWOKYBGMCTR-HZGVNTEJSA-N -1 0 346.239 3.520 20 0 EHADRM CC[C@@H](NC(=O)N=c1[n-]nc(-c2ccco2)s1)c1ccc(C)cc1 ZINC000337967548 1138711786 /nfs/dbraw/zinc/71/17/86/1138711786.db2.gz GWGXDFYYCGBRNU-CYBMUJFWSA-N -1 0 342.424 3.801 20 0 EHADRM Fc1ccc(F)c(-c2nc(-c3ccc4[n-]c(=S)sc4c3)no2)n1 ZINC001212849552 1138868271 /nfs/dbraw/zinc/86/82/71/1138868271.db2.gz XGWCRVJHQTVQSH-UHFFFAOYSA-N -1 0 348.359 3.975 20 0 EHADRM CC1(C)CC2(CC(NC(=O)c3cc(O)c4ccccc4c3)C2)CO1 ZINC000889727259 1139260577 /nfs/dbraw/zinc/26/05/77/1139260577.db2.gz AZDFETBILIRRBC-UHFFFAOYSA-N -1 0 325.408 3.623 20 0 EHADRM CCCOc1ccc(NC(=O)C(=O)[N-]OC2CCCC2)cc1C(C)C ZINC000890066997 1139309873 /nfs/dbraw/zinc/30/98/73/1139309873.db2.gz FHIAEBJUVNMLMX-UHFFFAOYSA-N -1 0 348.443 3.528 20 0 EHADRM Cn1cccc1[C@@H]1CCCCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000174393111 1139418073 /nfs/dbraw/zinc/41/80/73/1139418073.db2.gz RKJZEQQYSOWUED-HNNXBMFYSA-N -1 0 341.436 3.822 20 0 EHADRM C[C@H](c1cccs1)N(C)C(=O)CSc1n[n-]c(=S)s1 ZINC000176042654 1139536797 /nfs/dbraw/zinc/53/67/97/1139536797.db2.gz QSJXPBFDVFMODB-SSDOTTSWSA-N -1 0 331.513 3.574 20 0 EHADRM COc1cccc([C@@H]2CCCN2C(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000177002739 1139592229 /nfs/dbraw/zinc/59/22/29/1139592229.db2.gz DFNOBHGRXXYCNJ-INIZCTEOSA-N -1 0 333.334 3.656 20 0 EHADRM COc1ccc([C@@H]2CCCN2C(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000177004145 1139592358 /nfs/dbraw/zinc/59/23/58/1139592358.db2.gz KNMIFBRATCZCPH-INIZCTEOSA-N -1 0 333.334 3.656 20 0 EHADRM COc1ccc(-c2cc3[n-]c([C@H]4CCCO4)nc(=O)c3s2)cc1 ZINC000178984942 1139728992 /nfs/dbraw/zinc/72/89/92/1139728992.db2.gz OGTRVZUJCKOSFZ-CYBMUJFWSA-N -1 0 328.393 3.512 20 0 EHADRM Cc1nc(C)c(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)s1 ZINC000179609289 1139768637 /nfs/dbraw/zinc/76/86/37/1139768637.db2.gz DTHZLJIHOVAUBK-UHFFFAOYSA-N -1 0 343.449 3.520 20 0 EHADRM CC(C)Oc1ccc([C@@H](C)NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000179980508 1139798017 /nfs/dbraw/zinc/79/80/17/1139798017.db2.gz RXYRCFQIQUMYJF-KBMXLJTQSA-N -1 0 333.428 3.542 20 0 EHADRM O=C(C[C@@H]1CCCN1C(=O)c1ccc([O-])c(Cl)c1)c1cccs1 ZINC000180131577 1139811168 /nfs/dbraw/zinc/81/11/68/1139811168.db2.gz CHVPZRGXIRFOOL-LBPRGKRZSA-N -1 0 349.839 3.985 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)c2coc3ccccc23)c1Cl ZINC000777355586 1139820141 /nfs/dbraw/zinc/82/01/41/1139820141.db2.gz XVQJTDHIKKQFRD-UHFFFAOYSA-N -1 0 349.795 3.513 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)c1cc(-c2ccccc2F)on1 ZINC000777384495 1139978772 /nfs/dbraw/zinc/97/87/72/1139978772.db2.gz RULPWLDKWCMKIU-UHFFFAOYSA-N -1 0 348.374 3.636 20 0 EHADRM Cc1cc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)nn1[C@H](C)C1CC1 ZINC000777416301 1140168741 /nfs/dbraw/zinc/16/87/41/1140168741.db2.gz MDSYFPGODUPYHD-SNVBAGLBSA-N -1 0 342.424 3.845 20 0 EHADRM Cc1occc1S([O-])=CC(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000189621334 1140355462 /nfs/dbraw/zinc/35/54/62/1140355462.db2.gz JZPZPKLQAAIXHP-YADARESESA-N -1 0 345.464 3.743 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2cnn(C3CCCC3)c2C)cc1 ZINC000194226362 1140602797 /nfs/dbraw/zinc/60/27/97/1140602797.db2.gz NQVFHPVRDWKVDY-UHFFFAOYSA-N -1 0 349.456 3.506 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC[C@H](C(F)(F)F)C1 ZINC000194381166 1140606884 /nfs/dbraw/zinc/60/68/84/1140606884.db2.gz JHDMMHXICJBUGI-QMMMGPOBSA-N -1 0 325.689 3.599 20 0 EHADRM CC(C)n1cc(S(=O)(=O)Nc2cc(C(F)F)ccc2Cl)cn1 ZINC000268935269 1141030025 /nfs/dbraw/zinc/03/00/25/1141030025.db2.gz DDXXHBMQPCKUGQ-UHFFFAOYSA-N -1 0 349.790 3.856 20 0 EHADRM CN(C[C@H]1OCCc2ccccc21)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000269156917 1141072971 /nfs/dbraw/zinc/07/29/71/1141072971.db2.gz SJTIZGZFCLSDTF-MRXNPFEDSA-N -1 0 349.789 3.571 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000283401264 1141618214 /nfs/dbraw/zinc/61/82/14/1141618214.db2.gz SUYQTPOPBLXNHZ-GFCCVEGCSA-N -1 0 331.309 3.726 20 0 EHADRM CCc1cccc(Cl)c1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[nH]1 ZINC000349109609 1141640393 /nfs/dbraw/zinc/64/03/93/1141640393.db2.gz NLBCZRHMUDCYOC-FPLPWBNLSA-N -1 0 332.787 3.504 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)c1cc(F)c(Cl)cc1Cl ZINC000038026479 213192377 /nfs/dbraw/zinc/19/23/77/213192377.db2.gz XYYIKHKENHICDH-MRVPVSSYSA-N -1 0 334.174 3.602 20 0 EHADRM Cc1ccc(NC(=O)c2csc(Br)c2)c(C(=O)[O-])c1 ZINC000036978828 213128957 /nfs/dbraw/zinc/12/89/57/213128957.db2.gz QHOFWNAOUXOSMB-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM COc1ccc(-c2csc3ncnc(NCCCC(=O)[O-])c23)cc1 ZINC000020313748 212117630 /nfs/dbraw/zinc/11/76/30/212117630.db2.gz MANCNQBDZFKAMN-UHFFFAOYSA-N -1 0 343.408 3.644 20 0 EHADRM Cc1ccc(-c2csc3ncnc(N4CCC[C@@H]4C(=O)[O-])c23)cc1 ZINC000020318010 212118971 /nfs/dbraw/zinc/11/89/71/212118971.db2.gz ODKWXCBPMUGDER-CQSZACIVSA-N -1 0 339.420 3.720 20 0 EHADRM C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000192481407 564090197 /nfs/dbraw/zinc/09/01/97/564090197.db2.gz INYRTSFDJDOTSR-BMIGLBTASA-N -1 0 334.778 3.803 20 0 EHADRM Cc1cc(Oc2c3ccccc3nnc2-c2nnn[n-]2)ccc1Cl ZINC000737279621 598954670 /nfs/dbraw/zinc/95/46/70/598954670.db2.gz KOSBPZMDLWFCKW-UHFFFAOYSA-N -1 0 338.758 3.564 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000818085506 596925125 /nfs/dbraw/zinc/92/51/25/596925125.db2.gz ZCYDLVILBOLTKG-KSSFIOAISA-N -1 0 338.407 3.724 20 0 EHADRM CC(C)N(C(=O)CSCC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000738836106 597090717 /nfs/dbraw/zinc/09/07/17/597090717.db2.gz UMSNXLKKQWICAT-UHFFFAOYSA-N -1 0 336.240 3.553 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)C1 ZINC000533196172 597097045 /nfs/dbraw/zinc/09/70/45/597097045.db2.gz SHAZWUMLYSTTNT-JVPBZIDWSA-N -1 0 337.419 3.657 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)Nc2ccccc2SC(F)F)C1 ZINC000390478095 597115801 /nfs/dbraw/zinc/11/58/01/597115801.db2.gz IYAYITROMPWCOC-JTQLQIEISA-N -1 0 344.383 3.720 20 0 EHADRM Cc1c(C(=O)N(CC(=O)[O-])c2ccccc2)sc2nccc(C)c12 ZINC000740196856 597122556 /nfs/dbraw/zinc/12/25/56/597122556.db2.gz WIDLFHAQXLDIRE-UHFFFAOYSA-N -1 0 340.404 3.645 20 0 EHADRM COc1cc(CNc2cccc(CC(=O)[O-])c2)c(SC)cc1OC ZINC000414638779 597137796 /nfs/dbraw/zinc/13/77/96/597137796.db2.gz OPANHIZAYRVOCF-UHFFFAOYSA-N -1 0 347.436 3.665 20 0 EHADRM Cc1ccccc1[C@H]1CCN(C(=O)Nc2cccc(CC(=O)[O-])c2)C1 ZINC000738323994 597190553 /nfs/dbraw/zinc/19/05/53/597190553.db2.gz CMZJYCZACZSWLI-INIZCTEOSA-N -1 0 338.407 3.644 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N2CCC[C@@H]2c2ccsc2)c1 ZINC000738624101 597196478 /nfs/dbraw/zinc/19/64/78/597196478.db2.gz MUNHMXNESGAWST-OAHLLOKOSA-N -1 0 330.409 3.744 20 0 EHADRM C[C@H](c1c(F)cccc1F)N(C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000818071725 597230950 /nfs/dbraw/zinc/23/09/50/597230950.db2.gz WSUMMYVRHYQOEK-LLVKDONJSA-N -1 0 348.349 3.566 20 0 EHADRM CCc1ccc(CN(C)C(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000818335778 597321298 /nfs/dbraw/zinc/32/12/98/597321298.db2.gz DOXARGUULWWCDL-UHFFFAOYSA-N -1 0 326.396 3.540 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N2CC[C@H]2c2ccc(Cl)cc2)c1 ZINC000821538450 597380231 /nfs/dbraw/zinc/38/02/31/597380231.db2.gz PNPJPQOEXABLJI-INIZCTEOSA-N -1 0 344.798 3.946 20 0 EHADRM Cc1cc(NC2CCN(C(=O)CC(C)(C)C)CC2)ccc1C(=O)[O-] ZINC000560927352 597464442 /nfs/dbraw/zinc/46/44/42/597464442.db2.gz KBWKFGQRTUNYEA-UHFFFAOYSA-N -1 0 332.444 3.532 20 0 EHADRM Cc1coc(-c2cc(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc2C)n1 ZINC000566540381 597511412 /nfs/dbraw/zinc/51/14/12/597511412.db2.gz RBEQGQCVPAATAA-HNNXBMFYSA-N -1 0 345.399 3.579 20 0 EHADRM O=C([O-])CCCCCNC(=O)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000414619589 597607207 /nfs/dbraw/zinc/60/72/07/597607207.db2.gz BPLXZDZYDBBFIL-GZKZCVOOSA-N -1 0 330.428 3.519 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=S)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000820136719 598058380 /nfs/dbraw/zinc/05/83/80/598058380.db2.gz ZCRBAVKNOOPGRZ-SECBINFHSA-N -1 0 349.283 3.724 20 0 EHADRM CC(C)(C)[S@@](=O)Cc1cccc(NC2CCC(C(=O)[O-])CC2)c1 ZINC000263457973 598110606 /nfs/dbraw/zinc/11/06/06/598110606.db2.gz HXODMJASUBPJOU-ITWBZBEWSA-N -1 0 337.485 3.789 20 0 EHADRM Cc1csc([C@H]2CCCCN2C(=O)c2cccc(C(=O)[O-])c2)n1 ZINC000261907037 598143104 /nfs/dbraw/zinc/14/31/04/598143104.db2.gz XESAHOWBWIYNAG-CQSZACIVSA-N -1 0 330.409 3.517 20 0 EHADRM O=C([O-])C1CCC(NC(=O)c2ccccc2CCC(F)(F)F)CC1 ZINC000262743524 598143442 /nfs/dbraw/zinc/14/34/42/598143442.db2.gz AFCJANKBGYVEEH-UHFFFAOYSA-N -1 0 343.345 3.555 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000262998205 598147245 /nfs/dbraw/zinc/14/72/45/598147245.db2.gz FRKDWPKTPMABNQ-UHFFFAOYSA-N -1 0 346.427 3.680 20 0 EHADRM Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000236812901 598154571 /nfs/dbraw/zinc/15/45/71/598154571.db2.gz MNGZYYJWEAOMOX-UHFFFAOYSA-N -1 0 340.379 3.540 20 0 EHADRM CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccccc2C(=O)[O-])s1 ZINC000820492585 598176303 /nfs/dbraw/zinc/17/63/03/598176303.db2.gz MYXLVSQCSJMNDG-LLVKDONJSA-N -1 0 347.440 3.937 20 0 EHADRM CCCC[C@H](C(=O)[O-])N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000736975437 599705674 /nfs/dbraw/zinc/70/56/74/599705674.db2.gz UOKYWLMBJFHERG-CYBMUJFWSA-N -1 0 347.242 3.507 20 0 EHADRM CN(C(=O)Nc1ccc(F)c(NC(=O)[O-])c1)C1Cc2ccccc2C1 ZINC000737328650 599718389 /nfs/dbraw/zinc/71/83/89/599718389.db2.gz HZQRYYIHDHWTHI-UHFFFAOYSA-N -1 0 343.358 3.547 20 0 EHADRM CSc1ccc(Cl)c(C(=O)Nc2cccc(C(=O)[O-])c2O)c1 ZINC000317660434 599718856 /nfs/dbraw/zinc/71/88/56/599718856.db2.gz UCUXMJTTYAPIIU-UHFFFAOYSA-N -1 0 337.784 3.718 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000236729208 599724264 /nfs/dbraw/zinc/72/42/64/599724264.db2.gz JODPADOSTAIMEU-RBUKOAKNSA-N -1 0 339.435 3.903 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000737258052 599745554 /nfs/dbraw/zinc/74/55/54/599745554.db2.gz WGWZVBHYBBSNCY-SNVBAGLBSA-N -1 0 333.334 3.968 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000739337645 599745953 /nfs/dbraw/zinc/74/59/53/599745953.db2.gz ASOAWLFZBYZEGE-UHFFFAOYSA-N -1 0 346.745 3.840 20 0 EHADRM CN(CCCC(=O)N(C)Cc1ccccc1-c1ccccc1)C(=O)[O-] ZINC000737415246 599748200 /nfs/dbraw/zinc/74/82/00/599748200.db2.gz HXKWMOSFUNFTRG-UHFFFAOYSA-N -1 0 340.423 3.702 20 0 EHADRM Cc1[nH]c(C(=O)N[C@@H](c2ccccc2)C2CCC2)c(C)c1C(=O)[O-] ZINC000738156327 599754912 /nfs/dbraw/zinc/75/49/12/599754912.db2.gz RPVLJBSEYRIETQ-KRWDZBQOSA-N -1 0 326.396 3.601 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1ccnc(Oc2ccccc2)c1 ZINC000739490389 599765214 /nfs/dbraw/zinc/76/52/14/599765214.db2.gz NIHQHTGFNAICNP-UHFFFAOYSA-N -1 0 340.360 3.886 20 0 EHADRM CC(C)c1ncc(Cl)c(C(=O)Nc2ccc(CCC(=O)[O-])cc2)n1 ZINC000236867408 599771423 /nfs/dbraw/zinc/77/14/23/599771423.db2.gz SXSOQIHIKWCGTH-UHFFFAOYSA-N -1 0 347.802 3.523 20 0 EHADRM CC[C@@H](Cc1ccccc1)NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000736907326 599781606 /nfs/dbraw/zinc/78/16/06/599781606.db2.gz PGJHXXWVTIZRFG-SFHVURJKSA-N -1 0 340.423 3.548 20 0 EHADRM CC(C)[C@@H](OC(=O)CCc1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000736392371 599784647 /nfs/dbraw/zinc/78/46/47/599784647.db2.gz YGMZGEFQNLCOKX-GOSISDBHSA-N -1 0 334.412 3.593 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)c1 ZINC000740215620 599785279 /nfs/dbraw/zinc/78/52/79/599785279.db2.gz GDYDASIYYNIDMZ-UHFFFAOYSA-N -1 0 344.798 3.891 20 0 EHADRM Cc1nc(CC(C)C)sc1C(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC000738851571 599787626 /nfs/dbraw/zinc/78/76/26/599787626.db2.gz MLTUNZVXNPCAEK-CQSZACIVSA-N -1 0 333.409 3.633 20 0 EHADRM O=C([O-])CSCCC(=O)Oc1ccc(Oc2ccccc2)cc1 ZINC000739856782 599798496 /nfs/dbraw/zinc/79/84/96/599798496.db2.gz BARRIMMVZWCNKF-UHFFFAOYSA-N -1 0 332.377 3.592 20 0 EHADRM COc1ccc([C@H](C)C(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)cc1 ZINC000737948537 599800284 /nfs/dbraw/zinc/80/02/84/599800284.db2.gz IXOQCJQATLVBRK-STQMWFEESA-N -1 0 328.364 3.801 20 0 EHADRM CC(C)Cn1c(SCc2cc(C(=O)[O-])co2)nnc1-c1ccco1 ZINC000736456472 599801463 /nfs/dbraw/zinc/80/14/63/599801463.db2.gz XQFHJGXXYDSYOE-UHFFFAOYSA-N -1 0 347.396 3.778 20 0 EHADRM CCCN(Cc1c(F)cccc1Cl)C(=O)[C@H](NC(=O)[O-])C(C)C ZINC000737020366 599814118 /nfs/dbraw/zinc/81/41/18/599814118.db2.gz WLSGZWHTAFMCSI-CQSZACIVSA-N -1 0 344.814 3.510 20 0 EHADRM Cc1ccccc1C[C@H](C)NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000738770339 599823945 /nfs/dbraw/zinc/82/39/45/599823945.db2.gz ZRLAZANKPXLBDY-HNNXBMFYSA-N -1 0 340.423 3.765 20 0 EHADRM C[C@H](CC(=O)N(CC(=O)[O-])Cc1ccc(F)c(F)c1)c1ccccc1 ZINC000431984282 599832955 /nfs/dbraw/zinc/83/29/55/599832955.db2.gz GMZIYZAWPIPBNY-CYBMUJFWSA-N -1 0 347.361 3.572 20 0 EHADRM Cc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)c(Cl)n1 ZINC000738518971 599834807 /nfs/dbraw/zinc/83/48/07/599834807.db2.gz BTBOXIICGVTQGE-UHFFFAOYSA-N -1 0 336.800 3.544 20 0 EHADRM O=C([O-])c1n[nH]c2ccc(NC(=O)C[C@H]3CCCc4ccccc43)cc21 ZINC000739223735 599843053 /nfs/dbraw/zinc/84/30/53/599843053.db2.gz SMEVYKRETOKICC-CYBMUJFWSA-N -1 0 349.390 3.710 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(C)c2)cc1 ZINC000237354015 599848602 /nfs/dbraw/zinc/84/86/02/599848602.db2.gz FEQBDTPMXOOCQI-MRXNPFEDSA-N -1 0 329.421 3.663 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C)cc2C)cc1 ZINC000237353001 599848725 /nfs/dbraw/zinc/84/87/25/599848725.db2.gz JRYFZFSNELXVOH-QGZVFWFLSA-N -1 0 343.448 3.971 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)nc1 ZINC000190639284 599852193 /nfs/dbraw/zinc/85/21/93/599852193.db2.gz DBHAYDLCIPAUBZ-GOSISDBHSA-N -1 0 349.390 3.629 20 0 EHADRM Cc1ccccc1CC(C)(C)NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000738766339 599863138 /nfs/dbraw/zinc/86/31/38/599863138.db2.gz CJPGTKGUZIDDDU-UHFFFAOYSA-N -1 0 326.396 3.836 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)OCc1ccc(OC(F)F)cc1 ZINC000740053830 599867051 /nfs/dbraw/zinc/86/70/51/599867051.db2.gz AZTYUGMXGOCWFS-UHFFFAOYSA-N -1 0 337.278 3.735 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)OCCOc1cccc(Cl)c1 ZINC000740056324 599868479 /nfs/dbraw/zinc/86/84/79/599868479.db2.gz LSJUXJUJZFNLKY-UHFFFAOYSA-N -1 0 335.743 3.666 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)OCCOc1ccccc1Cl ZINC000740053832 599868481 /nfs/dbraw/zinc/86/84/81/599868481.db2.gz BFKGUXMEOJOJLC-UHFFFAOYSA-N -1 0 335.743 3.666 20 0 EHADRM CC[C@H](CC(=O)O[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C)C(C)C ZINC000736893089 599870892 /nfs/dbraw/zinc/87/08/92/599870892.db2.gz UUASPOOLGZVVJT-CHWSQXEVSA-N -1 0 337.416 3.516 20 0 EHADRM CC[C@H](CC(=O)O[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C)C(C)C ZINC000736891414 599870935 /nfs/dbraw/zinc/87/09/35/599870935.db2.gz ACEFPYPWIIDUAZ-ZIAGYGMSSA-N -1 0 349.427 3.636 20 0 EHADRM CCc1nc2ccccc2c(C(=O)OCc2cc(C(=O)[O-])co2)c1C ZINC000737282962 599877442 /nfs/dbraw/zinc/87/74/42/599877442.db2.gz DOJCBSJLBUGWID-UHFFFAOYSA-N -1 0 339.347 3.754 20 0 EHADRM Cc1sc(NC(=O)N2CCC[C@H]2c2cccnc2)c(C(=O)[O-])c1C ZINC000324995329 599880749 /nfs/dbraw/zinc/88/07/49/599880749.db2.gz XBHIXBDHONMCEQ-ZDUSSCGKSA-N -1 0 345.424 3.827 20 0 EHADRM Cc1nc(-c2ccccc2)ccc1C(=O)OCc1cc(C(=O)[O-])co1 ZINC000738831406 599881032 /nfs/dbraw/zinc/88/10/32/599881032.db2.gz DBCLWNFMQRUQDI-UHFFFAOYSA-N -1 0 337.331 3.705 20 0 EHADRM CCC[C@H]1CCCC[C@@H]1NC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000736975932 599881485 /nfs/dbraw/zinc/88/14/85/599881485.db2.gz VHSIPINNXUTORS-BBRMVZONSA-N -1 0 336.432 3.787 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C/C(=O)OCc1ccc(C(=O)[O-])o1 ZINC000736890438 599885197 /nfs/dbraw/zinc/88/51/97/599885197.db2.gz BDLANCLSOZFGQD-RUNBWSAHSA-N -1 0 344.363 3.912 20 0 EHADRM O=C([O-])CSCCNc1nc2ccccc2c(-c2ccccc2)n1 ZINC000739867215 599893972 /nfs/dbraw/zinc/89/39/72/599893972.db2.gz FRVSYQSLNNARAM-UHFFFAOYSA-N -1 0 339.420 3.527 20 0 EHADRM CCC(CC)[C@@H](NC(=O)N[C@H]1CCCN(C(=O)[O-])C1)c1ccccc1 ZINC000736894998 599895238 /nfs/dbraw/zinc/89/52/38/599895238.db2.gz LUNBPJGFZVMUIC-DLBZAZTESA-N -1 0 347.459 3.606 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1ccc(C)c(Cl)c1 ZINC000737878991 599900891 /nfs/dbraw/zinc/90/08/91/599900891.db2.gz NUYNZRHGUQLBSK-YVMONPNESA-N -1 0 346.766 3.974 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N(Cc2ccco2)C2CCCC2)c1 ZINC000740027599 599902406 /nfs/dbraw/zinc/90/24/06/599902406.db2.gz XSFRBCCJOHCQFW-UHFFFAOYSA-N -1 0 328.368 3.955 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)OCc1occc1C(=O)[O-] ZINC000736890881 599903944 /nfs/dbraw/zinc/90/39/44/599903944.db2.gz JKYIDGDQPUORBR-XEHSLEBBSA-N -1 0 344.363 3.912 20 0 EHADRM CCN(c1cccc(C)c1C)S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000477407017 599906953 /nfs/dbraw/zinc/90/69/53/599906953.db2.gz PNYHDKJRTKDXKV-UHFFFAOYSA-N -1 0 347.436 3.525 20 0 EHADRM COc1ccc(CC[C@@H](C)NC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000737992993 599910250 /nfs/dbraw/zinc/91/02/50/599910250.db2.gz RBZVSAYZLKCNLY-CYBMUJFWSA-N -1 0 342.395 3.536 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2CCC(OC3CCCCC3)CC2)c1 ZINC000740027214 599911659 /nfs/dbraw/zinc/91/16/59/599911659.db2.gz PMQGFRPFKBIHOE-UHFFFAOYSA-N -1 0 346.427 3.730 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)C(CC)(CC)c1ccc(Cl)cc1 ZINC000237014395 599913602 /nfs/dbraw/zinc/91/36/02/599913602.db2.gz NHECJWNBHPCPLQ-UHFFFAOYSA-N -1 0 325.836 3.721 20 0 EHADRM O=C([O-])CC1CCN(C(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)CC1 ZINC000262161556 599915210 /nfs/dbraw/zinc/91/52/10/599915210.db2.gz PQQXRYMAYMGUSJ-MOPGFXCFSA-N -1 0 337.419 3.657 20 0 EHADRM C[C@H](CN(C(=O)CCc1ccc(Cl)c(Cl)c1)C1CC1)C(=O)[O-] ZINC000262170166 599916182 /nfs/dbraw/zinc/91/61/82/599916182.db2.gz LIILJCGFDGYOCZ-SNVBAGLBSA-N -1 0 344.238 3.638 20 0 EHADRM Cc1cc(NC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)ccc1C(=O)[O-] ZINC000392135478 599917093 /nfs/dbraw/zinc/91/70/93/599917093.db2.gz MZZNFTVFFNQWGJ-MLGOLLRUSA-N -1 0 327.380 3.981 20 0 EHADRM Cc1cccc(CSCC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000237644330 599918115 /nfs/dbraw/zinc/91/81/15/599918115.db2.gz RQYMZRWYJFGCMN-UHFFFAOYSA-N -1 0 329.421 3.874 20 0 EHADRM Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1C(=O)[O-] ZINC000320305786 599918125 /nfs/dbraw/zinc/91/81/25/599918125.db2.gz UJRQMNZJLLNVJX-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM CN(CCCC(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1)C(=O)[O-] ZINC000737430773 599920145 /nfs/dbraw/zinc/92/01/45/599920145.db2.gz HUUYYHAIIRVESR-UHFFFAOYSA-N -1 0 347.415 3.745 20 0 EHADRM Cc1cc(C)cc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)c1 ZINC000237831188 599921878 /nfs/dbraw/zinc/92/18/78/599921878.db2.gz RSARLPMELVXSIX-UHFFFAOYSA-N -1 0 329.421 3.874 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000139385838 599931090 /nfs/dbraw/zinc/93/10/90/599931090.db2.gz INPWDMSUQQRIRF-KDOFPFPSSA-N -1 0 343.398 3.727 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2CCC[C@@H]2Cc2cccc(F)c2)c1 ZINC000740026786 599931837 /nfs/dbraw/zinc/93/18/37/599931837.db2.gz CPZDRHZZDAKMAL-QGZVFWFLSA-N -1 0 342.370 3.763 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)C1(C)C ZINC000675980769 599935717 /nfs/dbraw/zinc/93/57/17/599935717.db2.gz BUCKTYHCRPHHQX-NUJGCVRESA-N -1 0 329.440 3.947 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccnn2-c2cccc(Cl)c2)s1 ZINC000740114425 599938248 /nfs/dbraw/zinc/93/82/48/599938248.db2.gz FPAWGBSYRGFZFT-UHFFFAOYSA-N -1 0 347.783 3.538 20 0 EHADRM O=C([O-])c1sc2ccccc2c1COC(=O)[C@@H]1CC1(Cl)Cl ZINC000740281729 599945167 /nfs/dbraw/zinc/94/51/67/599945167.db2.gz WENWRQBQOMFOKU-VIFPVBQESA-N -1 0 345.203 3.837 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)CCC1CCCCC1)Cc1cccc(F)c1 ZINC000486180341 599948977 /nfs/dbraw/zinc/94/89/77/599948977.db2.gz RVGZSRFCDOHSIW-MRXNPFEDSA-N -1 0 335.419 3.546 20 0 EHADRM Cc1cc(Cl)ccc1NC(=O)CNc1ccc(C(=O)[O-])c(C)c1 ZINC000738399255 599960772 /nfs/dbraw/zinc/96/07/72/599960772.db2.gz HTOJYBWBTJDUIQ-UHFFFAOYSA-N -1 0 332.787 3.706 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)O[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000736684856 599965159 /nfs/dbraw/zinc/96/51/59/599965159.db2.gz NDAKHYCFIHGNQI-UFBFGSQYSA-N -1 0 334.199 3.890 20 0 EHADRM O=C([O-])c1ccc(OC(=O)[C@@H](OC2CCCC2)c2ccccc2)cc1 ZINC000740161354 599968015 /nfs/dbraw/zinc/96/80/15/599968015.db2.gz OVPMXQMGRQLSJW-SFHVURJKSA-N -1 0 340.375 3.991 20 0 EHADRM C[C@H](CC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F)C1CCCCC1 ZINC000736542075 599970860 /nfs/dbraw/zinc/97/08/60/599970860.db2.gz VGTKGDORKQRVJT-PIGZYNQJSA-N -1 0 339.382 3.813 20 0 EHADRM Cc1cccc2cc(C(=O)N[C@@H](C(=O)[O-])c3cc(F)ccc3F)oc21 ZINC000738749660 599971513 /nfs/dbraw/zinc/97/15/13/599971513.db2.gz JLJNSXIDGJVVMI-OAHLLOKOSA-N -1 0 345.301 3.575 20 0 EHADRM CC(C)(CC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F)c1ccccc1 ZINC000736310619 599971903 /nfs/dbraw/zinc/97/19/03/599971903.db2.gz QJLVJPWUZZUZBN-KRWDZBQOSA-N -1 0 347.361 3.575 20 0 EHADRM C[C@@H](C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1)c1ccccc1F ZINC000139390494 599972014 /nfs/dbraw/zinc/97/20/14/599972014.db2.gz IOKNSMWPPGLGPB-DYVFJYSZSA-N -1 0 329.371 3.652 20 0 EHADRM Cc1ccc(CCCC(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000738588699 599972455 /nfs/dbraw/zinc/97/24/55/599972455.db2.gz DMVWBEZHNJNOJR-SFHVURJKSA-N -1 0 347.361 3.538 20 0 EHADRM Cc1cc(CN(C)c2cccc(OC(F)(F)F)c2)oc1C(=O)[O-] ZINC000738383005 599979358 /nfs/dbraw/zinc/97/93/58/599979358.db2.gz RNJCPRWEXWBEHS-UHFFFAOYSA-N -1 0 329.274 3.821 20 0 EHADRM Cc1c(Br)cccc1NC(=O)c1ccc(C(=O)[O-])s1 ZINC000225483881 599980116 /nfs/dbraw/zinc/98/01/16/599980116.db2.gz OMGOIANVMQRFRW-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccc(F)c(C)c1 ZINC000738453119 599985992 /nfs/dbraw/zinc/98/59/92/599985992.db2.gz XERLEHJWVCLSKE-GFCCVEGCSA-N -1 0 330.359 3.580 20 0 EHADRM Cc1ccc(NC(=O)Nc2cccc(CSCC(=O)[O-])c2)cc1 ZINC000738627069 599987710 /nfs/dbraw/zinc/98/77/10/599987710.db2.gz IJHGENQDBGCPSF-UHFFFAOYSA-N -1 0 330.409 3.957 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000238044169 599997080 /nfs/dbraw/zinc/99/70/80/599997080.db2.gz SIZKHKWWKXAMSP-HUUCEWRRSA-N -1 0 345.345 3.724 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC000391246662 599998728 /nfs/dbraw/zinc/99/87/28/599998728.db2.gz LQUJXWDWXLSMPQ-RUDMXATFSA-N -1 0 331.755 3.699 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)Cc2csc3ccccc23)c1 ZINC000737933951 599999822 /nfs/dbraw/zinc/99/98/22/599999822.db2.gz TWJMKGCRQZNGCY-UHFFFAOYSA-N -1 0 341.388 3.789 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)OCc1cc(C)c(C(=O)[O-])o1 ZINC000738118462 600001772 /nfs/dbraw/zinc/00/17/72/600001772.db2.gz BNIQJOSZCKALDY-LLVKDONJSA-N -1 0 332.352 3.532 20 0 EHADRM CC(C)(NC(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccc(F)cc1 ZINC000736325032 600008078 /nfs/dbraw/zinc/00/80/78/600008078.db2.gz UXOSJNWBVSKEOS-UHFFFAOYSA-N -1 0 334.322 3.720 20 0 EHADRM O=C([O-])Cc1cccc(Oc2ncnc3sc4c(c32)CCC4)c1 ZINC000320421836 600011712 /nfs/dbraw/zinc/01/17/12/600011712.db2.gz AAQXFIGCCUHRRS-UHFFFAOYSA-N -1 0 326.377 3.599 20 0 EHADRM COc1ccccc1C(C)(C)NC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000738121584 600011987 /nfs/dbraw/zinc/01/19/87/600011987.db2.gz RCTOQDHLOHCXSW-UHFFFAOYSA-N -1 0 342.395 3.759 20 0 EHADRM O=C([O-])c1sc(NC[C@H](O)c2ccc3ccccc3c2)nc1Cl ZINC000740278558 600012344 /nfs/dbraw/zinc/01/23/44/600012344.db2.gz HUSIQSLZGMUBDZ-LBPRGKRZSA-N -1 0 348.811 3.793 20 0 EHADRM COc1cccc([C@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000738092701 600014767 /nfs/dbraw/zinc/01/47/67/600014767.db2.gz SDROAPXTYLQJDJ-LBPRGKRZSA-N -1 0 328.368 3.585 20 0 EHADRM Cc1cc(NC(=O)NCCSCc2ccccc2)ccc1C(=O)[O-] ZINC000738440181 600017770 /nfs/dbraw/zinc/01/77/70/600017770.db2.gz JGHAFNJGOJHPHT-UHFFFAOYSA-N -1 0 344.436 3.748 20 0 EHADRM C[C@H](c1ccco1)N(C)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000736726631 600019662 /nfs/dbraw/zinc/01/96/62/600019662.db2.gz VPJVBLGOSOFJSJ-GFCCVEGCSA-N -1 0 348.424 3.822 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263093337 600020781 /nfs/dbraw/zinc/02/07/81/600020781.db2.gz VUXDZOICCRZXPV-HPUBIQBYSA-N -1 0 346.471 3.685 20 0 EHADRM Cc1cc(NC(=O)N(C)[C@@H](C)c2cccc(O)c2)ccc1C(=O)[O-] ZINC000738438540 600022597 /nfs/dbraw/zinc/02/25/97/600022597.db2.gz YEJFUCDLRMDCMA-LBPRGKRZSA-N -1 0 328.368 3.624 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000736707942 600023540 /nfs/dbraw/zinc/02/35/40/600023540.db2.gz GUSVWNBVNXVAGZ-ZDUSSCGKSA-N -1 0 330.405 3.541 20 0 EHADRM Cc1cccc(C[C@@H](CNC(=O)Nc2cc(C)ccc2C)C(=O)[O-])c1 ZINC000738707885 600025646 /nfs/dbraw/zinc/02/56/46/600025646.db2.gz JCYKYEUYCIAEPA-KRWDZBQOSA-N -1 0 340.423 3.677 20 0 EHADRM CC(C)c1ccc(CN(C)C(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000263460070 600026544 /nfs/dbraw/zinc/02/65/44/600026544.db2.gz IOHUZYRUFHHTKF-UHFFFAOYSA-N -1 0 332.444 3.595 20 0 EHADRM CC[C@H](C)Oc1ccc(NC(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000263464462 600027789 /nfs/dbraw/zinc/02/77/89/600027789.db2.gz FTFQZBZQJNWDDK-HSBZDZAISA-N -1 0 334.416 3.629 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)c2cc3ccc(F)cc3s2)c1 ZINC000739887903 600028303 /nfs/dbraw/zinc/02/83/03/600028303.db2.gz GCMAPILPVVKEGK-UHFFFAOYSA-N -1 0 330.336 3.887 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)CCSc2ccc(F)cc2)c1 ZINC000739889790 600028560 /nfs/dbraw/zinc/02/85/60/600028560.db2.gz QJCDGZROYZVVGA-UHFFFAOYSA-N -1 0 334.368 3.541 20 0 EHADRM COc1cc(COc2ccc(C(=O)[O-])cc2C=O)ccc1SC ZINC000737885837 600029533 /nfs/dbraw/zinc/02/95/33/600029533.db2.gz JTGCGSZALBUBGN-UHFFFAOYSA-N -1 0 332.377 3.507 20 0 EHADRM CC[C@H](c1ccccc1)N(CC)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263471209 600031138 /nfs/dbraw/zinc/03/11/38/600031138.db2.gz LJDOXIDUHIZSHU-OFLPRAFFSA-N -1 0 332.444 3.813 20 0 EHADRM Cc1c(NC(=O)N[C@@H]2CCc3ccc(F)cc32)cccc1C(=O)[O-] ZINC000738303842 600032586 /nfs/dbraw/zinc/03/25/86/600032586.db2.gz LJKKSZOZOLNXOK-MRXNPFEDSA-N -1 0 328.343 3.641 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Nc2nc3ccccc3s2)cc1 ZINC000739259425 600033329 /nfs/dbraw/zinc/03/33/29/600033329.db2.gz CQZWWNMAUWISMB-UHFFFAOYSA-N -1 0 326.377 3.566 20 0 EHADRM CC(C)(C)c1csc(NC(=O)CCc2ccc(C(=O)[O-])cc2)n1 ZINC000736298966 600033640 /nfs/dbraw/zinc/03/36/40/600033640.db2.gz GJTYPVTUKYKHEM-UHFFFAOYSA-N -1 0 332.425 3.710 20 0 EHADRM CCc1cccc2c(CC(=O)Nc3cc(C(=O)[O-])ccc3C)c[nH]c21 ZINC000120232103 600034017 /nfs/dbraw/zinc/03/40/17/600034017.db2.gz BQDYPBCLMHEWAN-UHFFFAOYSA-N -1 0 336.391 3.918 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=S)Nc1ccccc1Cl)C2 ZINC000740202542 600034452 /nfs/dbraw/zinc/03/44/52/600034452.db2.gz IUOFECAJCICYID-UHFFFAOYSA-N -1 0 332.812 3.751 20 0 EHADRM CC1CCC(N(C(=O)CCc2ccc(C(=O)[O-])cc2)C2CC2)CC1 ZINC000236783190 600037517 /nfs/dbraw/zinc/03/75/17/600037517.db2.gz SUKXLTSUGVAJOT-UHFFFAOYSA-N -1 0 329.440 3.887 20 0 EHADRM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000738096141 600040519 /nfs/dbraw/zinc/04/05/19/600040519.db2.gz NGJGJBAEQPNAGD-KGLIPLIRSA-N -1 0 344.342 3.666 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)CCCc1c[nH]c3ccccc13)C2 ZINC000621554547 600044831 /nfs/dbraw/zinc/04/48/31/600044831.db2.gz OEAXEQKVKKBGGP-UHFFFAOYSA-N -1 0 348.402 3.731 20 0 EHADRM CCc1[nH]c(C(=O)Nc2cccc(CSC)c2)c(C)c1C(=O)[O-] ZINC000737245641 600046381 /nfs/dbraw/zinc/04/63/81/600046381.db2.gz LXZFCLCVQNKNOW-UHFFFAOYSA-N -1 0 332.425 3.699 20 0 EHADRM O=C([O-])C1CCC(NC(=O)CSc2ccc3ccccc3c2)CC1 ZINC000262039991 600048919 /nfs/dbraw/zinc/04/89/19/600048919.db2.gz HOXSFAOWDGAPIS-UHFFFAOYSA-N -1 0 343.448 3.692 20 0 EHADRM O=C([O-])C1CCC(NC(=O)c2cc3c(s2)CCCCCC3)CC1 ZINC000261635899 600050669 /nfs/dbraw/zinc/05/06/69/600050669.db2.gz CKHNCNFWKJSZBI-UHFFFAOYSA-N -1 0 335.469 3.780 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000736890476 600051046 /nfs/dbraw/zinc/05/10/46/600051046.db2.gz CCTKRDKUTTYVBF-LTGPWWATSA-N -1 0 345.439 3.637 20 0 EHADRM O=C([O-])C1CCC(NC(=O)Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000262183899 600051968 /nfs/dbraw/zinc/05/19/68/600051968.db2.gz RDYRXWXMLITMDO-UHFFFAOYSA-N -1 0 337.419 3.656 20 0 EHADRM Cc1cc(C(=O)[O-])c2sc(NC(=O)c3cccc(Cl)c3)nc2n1 ZINC000738346620 600052085 /nfs/dbraw/zinc/05/20/85/600052085.db2.gz ZTHFXFATFCUPAY-UHFFFAOYSA-N -1 0 347.783 3.604 20 0 EHADRM C[C@@H](NC(=S)Nc1ccc(F)c(NC(=O)[O-])c1)c1ccccc1 ZINC000736660585 600056898 /nfs/dbraw/zinc/05/68/98/600056898.db2.gz LQXGZMXGVBRDJD-SNVBAGLBSA-N -1 0 333.388 3.963 20 0 EHADRM O=C([O-])c1cc(F)ccc1COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000387743691 600057844 /nfs/dbraw/zinc/05/78/44/600057844.db2.gz YEVWSDLRGRFFDX-UHFFFAOYSA-N -1 0 325.679 3.665 20 0 EHADRM Cc1occc1-c1nnc(SCc2ccc(F)cc2C(=O)[O-])o1 ZINC000738976400 600058282 /nfs/dbraw/zinc/05/82/82/600058282.db2.gz QXAHOKGXMVBJPW-UHFFFAOYSA-N -1 0 334.328 3.768 20 0 EHADRM CCC(CC)(C(=O)N[C@@H](C)C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000236872700 600060326 /nfs/dbraw/zinc/06/03/26/600060326.db2.gz DRVGIXADLFCHBC-VIFPVBQESA-N -1 0 332.227 3.641 20 0 EHADRM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ccccc1-c1nc2ccccc2s1 ZINC000739552734 600061824 /nfs/dbraw/zinc/06/18/24/600061824.db2.gz KDXSMJKUZFUQGA-RYUDHWBXSA-N -1 0 338.388 3.623 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000262601055 600062017 /nfs/dbraw/zinc/06/20/17/600062017.db2.gz JUNSFMCOWLPGMP-IBGZPJMESA-N -1 0 337.419 3.990 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000237789540 600064021 /nfs/dbraw/zinc/06/40/21/600064021.db2.gz GUUNCDSTMLIGGW-IBGZPJMESA-N -1 0 337.419 3.990 20 0 EHADRM CCn1cc(C(=O)Nc2ccc(OC)cc2C(=O)[O-])c2ccccc21 ZINC000342541240 600072532 /nfs/dbraw/zinc/07/25/32/600072532.db2.gz FZQOQHCXLPKXLO-UHFFFAOYSA-N -1 0 338.363 3.620 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1cc3cc(F)ccc3s1)C2 ZINC000326223996 600072864 /nfs/dbraw/zinc/07/28/64/600072864.db2.gz DZNAOTLOGMILCI-UHFFFAOYSA-N -1 0 341.363 3.895 20 0 EHADRM Cc1cc(C(=O)NC2CCC(C(=O)[O-])CC2)c(C)n1C1CCCCC1 ZINC000262670069 600074434 /nfs/dbraw/zinc/07/44/34/600074434.db2.gz QOMOLJAWROAZNM-UHFFFAOYSA-N -1 0 346.471 3.983 20 0 EHADRM COC(=O)c1ccc(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])s1 ZINC000737688015 600074947 /nfs/dbraw/zinc/07/49/47/600074947.db2.gz XCODROREPBGTAN-UHFFFAOYSA-N -1 0 347.392 3.609 20 0 EHADRM CCc1cc(Nc2ccc(CCC(=O)[O-])cc2)nc(-c2ccccn2)n1 ZINC000737252682 600075238 /nfs/dbraw/zinc/07/52/38/600075238.db2.gz PLJGRSZINLEPKD-UHFFFAOYSA-N -1 0 348.406 3.862 20 0 EHADRM COc1ccc(CCCCCC(=O)N2CCCC[C@H]2CC(=O)[O-])cc1 ZINC000679394688 600075383 /nfs/dbraw/zinc/07/53/83/600075383.db2.gz RFHCTIITXCNNFK-KRWDZBQOSA-N -1 0 347.455 3.654 20 0 EHADRM Cc1c(Cl)c(C(=O)[O-])nn1CN1CCC(c2ccccc2C)CC1 ZINC000738766232 600077603 /nfs/dbraw/zinc/07/76/03/600077603.db2.gz BODMGPLHCLZOKW-UHFFFAOYSA-N -1 0 347.846 3.689 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000362484091 600081294 /nfs/dbraw/zinc/08/12/94/600081294.db2.gz DVMWNCBSFFIXGV-IHRRRGAJSA-N -1 0 343.345 3.630 20 0 EHADRM O=C([O-])c1cc(F)ccc1CN1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000574466596 600086481 /nfs/dbraw/zinc/08/64/81/600086481.db2.gz NJGUFHGTUNBWLH-KRWDZBQOSA-N -1 0 349.789 3.751 20 0 EHADRM CCc1cccc2c(Cc3nc4cc(C(=O)[O-])ccc4c(=O)[nH]3)c[nH]c21 ZINC000737271786 600087651 /nfs/dbraw/zinc/08/76/51/600087651.db2.gz HKJYMPOSUJEMTQ-UHFFFAOYSA-N -1 0 347.374 3.668 20 0 EHADRM Cc1cccc(C)c1OCCC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000738687915 600088394 /nfs/dbraw/zinc/08/83/94/600088394.db2.gz FTUGEOFILZOBRN-UHFFFAOYSA-N -1 0 346.358 3.940 20 0 EHADRM C[C@@H](c1nnc(-c2ccccc2)o1)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736727144 600089182 /nfs/dbraw/zinc/08/91/82/600089182.db2.gz DBIZKOQLAKIXFU-LBPRGKRZSA-N -1 0 335.363 3.512 20 0 EHADRM CCc1cccc2c(CC(=O)OCc3cc(C)c(C(=O)[O-])o3)c[nH]c21 ZINC000737269956 600089187 /nfs/dbraw/zinc/08/91/87/600089187.db2.gz LPDLWSWHRZKSRX-UHFFFAOYSA-N -1 0 341.363 3.616 20 0 EHADRM CCc1cccc2c(CC(=O)O[C@H](C)c3ccc(C(=O)[O-])o3)c[nH]c21 ZINC000737270768 600089258 /nfs/dbraw/zinc/08/92/58/600089258.db2.gz YHERABJBUIKADK-LLVKDONJSA-N -1 0 341.363 3.868 20 0 EHADRM CC(C)Oc1cccc(OC(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000736495352 600100639 /nfs/dbraw/zinc/10/06/39/600100639.db2.gz XQSLPZBLXWTZDP-UHFFFAOYSA-N -1 0 328.364 3.710 20 0 EHADRM C[C@H](COc1cccc(F)c1)OC(=O)c1cccc(NC(=O)[O-])c1 ZINC000736616177 600101781 /nfs/dbraw/zinc/10/17/81/600101781.db2.gz RAPGOADNZPCVJM-LLVKDONJSA-N -1 0 333.315 3.540 20 0 EHADRM COc1ccccc1C/C(C)=C\C(=O)OCc1cc(C(=O)[O-])oc1C ZINC000738125230 600109017 /nfs/dbraw/zinc/10/90/17/600109017.db2.gz YRYYEVJVFCQBMN-XFXZXTDPSA-N -1 0 344.363 3.527 20 0 EHADRM O=C([O-])c1cn(Cc2nc(-c3cccc(F)c3)no2)c2ccccc12 ZINC000740252272 600109868 /nfs/dbraw/zinc/10/98/68/600109868.db2.gz CVHJWDJJTJIMKM-UHFFFAOYSA-N -1 0 337.310 3.577 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000740079284 600112572 /nfs/dbraw/zinc/11/25/72/600112572.db2.gz NWCSQSLQHOEOQE-UHFFFAOYSA-N -1 0 332.371 3.784 20 0 EHADRM Cc1ccccc1OCCCC(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000738784612 600113772 /nfs/dbraw/zinc/11/37/72/600113772.db2.gz HWOMBAAMKBSLOV-UHFFFAOYSA-N -1 0 346.354 3.735 20 0 EHADRM COc1ccc(CCCC(=O)OCc2ccc(F)cc2C(=O)[O-])cc1 ZINC000737991647 600116755 /nfs/dbraw/zinc/11/67/55/600116755.db2.gz CUTBAZXSQKMTLR-UHFFFAOYSA-N -1 0 346.354 3.599 20 0 EHADRM COc1cccc([C@@H]2C[C@@H]2C(=O)Oc2cc(Cl)ccc2C(=O)[O-])c1 ZINC000738096189 600122247 /nfs/dbraw/zinc/12/22/47/600122247.db2.gz NPIQSKPYGLDQCQ-GJZGRUSLSA-N -1 0 346.766 3.756 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC000736892624 600123267 /nfs/dbraw/zinc/12/32/67/600123267.db2.gz WPBWARVIRHQQFO-NSHDSACASA-N -1 0 330.384 3.552 20 0 EHADRM Cc1cc(NC(=O)CCSc2ccc(C)c(C)c2)c(C(=O)[O-])[nH]1 ZINC000322091291 600124453 /nfs/dbraw/zinc/12/44/53/600124453.db2.gz FECORWUFXRVQDZ-UHFFFAOYSA-N -1 0 332.425 3.759 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)c1cc(C)n(C(C)C)c1C ZINC000736188314 600125152 /nfs/dbraw/zinc/12/51/52/600125152.db2.gz CIELMLHGSORVHH-UHFFFAOYSA-N -1 0 343.379 3.806 20 0 EHADRM Cc1cc(NC(=O)Cc2coc3c2ccc(C)c3C)c(C(=O)[O-])[nH]1 ZINC000738431496 600125623 /nfs/dbraw/zinc/12/56/23/600125623.db2.gz AVSFUJFEUSMXQB-UHFFFAOYSA-N -1 0 326.352 3.566 20 0 EHADRM CC[C@@](NC(=O)C[C@@H](C)c1ccccc1F)(C(=O)[O-])c1ccccc1 ZINC000485380199 600131002 /nfs/dbraw/zinc/13/10/02/600131002.db2.gz PDGCMWZVHYUKAU-VLIAUNLRSA-N -1 0 343.398 3.826 20 0 EHADRM CC[C@](NC(=O)C[C@@H](C)c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000485383585 600132506 /nfs/dbraw/zinc/13/25/06/600132506.db2.gz NMFHWGJGJDEXPS-FOIQADDNSA-N -1 0 325.408 3.687 20 0 EHADRM Cc1ccc(OC(=O)c2cccc(Br)c2)c(C(=O)[O-])c1 ZINC000738640301 600132831 /nfs/dbraw/zinc/13/28/31/600132831.db2.gz XSPRKSBPYRGJHU-UHFFFAOYSA-N -1 0 335.153 3.675 20 0 EHADRM Cc1ccc(OC(=O)[C@H]2COc3ccc(Cl)cc3C2)c(C(=O)[O-])c1 ZINC000738637420 600135001 /nfs/dbraw/zinc/13/50/01/600135001.db2.gz CZOKLZLCJIBZJK-GFCCVEGCSA-N -1 0 346.766 3.503 20 0 EHADRM O=C([O-])c1coc(C(=O)COc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000740256837 600147733 /nfs/dbraw/zinc/14/77/33/600147733.db2.gz CLUFCWGZYUTPQE-UHFFFAOYSA-N -1 0 348.660 3.912 20 0 EHADRM CCCCN(C)c1ccc(NC(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000736992581 600149541 /nfs/dbraw/zinc/14/95/41/600149541.db2.gz MGHPEKBEAVHHMB-UHFFFAOYSA-N -1 0 326.396 3.873 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)C(C)(C)NC(=O)[O-])cc2)cc1 ZINC000738649893 600150737 /nfs/dbraw/zinc/15/07/37/600150737.db2.gz SRXNPHUOSZZLSS-UHFFFAOYSA-N -1 0 328.368 3.772 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OC(=O)Cc1ccccc1Br ZINC000738541421 600155808 /nfs/dbraw/zinc/15/58/08/600155808.db2.gz SJOYSRHDQVPAGU-UHFFFAOYSA-N -1 0 349.180 3.604 20 0 EHADRM CC(C)(NC(=O)[O-])C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000736337489 600156860 /nfs/dbraw/zinc/15/68/60/600156860.db2.gz QUISHLWOWXUBFR-UHFFFAOYSA-N -1 0 332.331 3.603 20 0 EHADRM CC[C@@](C)(NC(=O)c1sc2cc(C)ccc2c1Cl)C(=O)[O-] ZINC000736861782 600160004 /nfs/dbraw/zinc/16/00/04/600160004.db2.gz VQEXTZUWXJMMOD-OAHLLOKOSA-N -1 0 325.817 3.846 20 0 EHADRM CC(C)(NC(=O)[O-])C(=O)Nc1cccc(CCCc2ccccc2)c1 ZINC000736332427 600160562 /nfs/dbraw/zinc/16/05/62/600160562.db2.gz ICBWUMHFRXQWPU-UHFFFAOYSA-N -1 0 340.423 3.847 20 0 EHADRM Cc1ccc([C@H](CNC(=O)c2ccc(C(F)F)cc2)C(=O)[O-])cc1 ZINC000738566762 600162653 /nfs/dbraw/zinc/16/26/53/600162653.db2.gz INGYWGUPSRQDIV-HNNXBMFYSA-N -1 0 333.334 3.531 20 0 EHADRM Cc1ccc([C@H](CNC(=O)c2c[nH]cc2-c2ccccc2)C(=O)[O-])cc1 ZINC000362814603 600165587 /nfs/dbraw/zinc/16/55/87/600165587.db2.gz QCMGAIWZIGGVMX-SFHVURJKSA-N -1 0 348.402 3.588 20 0 EHADRM CC(C)(C)n1nc(C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1C1CC1 ZINC000261888142 600166792 /nfs/dbraw/zinc/16/67/92/600166792.db2.gz BKHPKHOISPBJLZ-UHFFFAOYSA-N -1 0 345.374 3.605 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)Nc3ccc(C(=O)[O-])cc3F)cc2C1 ZINC000321583695 600168129 /nfs/dbraw/zinc/16/81/29/600168129.db2.gz IIJDQCOXKDTNEL-SECBINFHSA-N -1 0 333.384 3.963 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)Nc2cccc(Cl)c2C)C(=O)[O-])cc1 ZINC000738559437 600176800 /nfs/dbraw/zinc/17/68/00/600176800.db2.gz IEMFFOPDBWTJCG-CQSZACIVSA-N -1 0 346.814 3.947 20 0 EHADRM CC(C)c1ccc(NC(=O)NCc2cccc(OCC(=O)[O-])c2)cc1 ZINC000736514772 600178775 /nfs/dbraw/zinc/17/87/75/600178775.db2.gz AARDWIUIKJEWMB-UHFFFAOYSA-N -1 0 342.395 3.595 20 0 EHADRM Cc1ccc(C(C)(C)C)cc1SCc1noc(CCC(=O)[O-])n1 ZINC000738548039 600184644 /nfs/dbraw/zinc/18/46/44/600184644.db2.gz ZSGWEWZFMHXTIO-UHFFFAOYSA-N -1 0 334.441 3.985 20 0 EHADRM CCCCC[C@H](NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)C(C)(C)C ZINC000736984897 600189794 /nfs/dbraw/zinc/18/97/94/600189794.db2.gz QDTNAMGAGWBGNX-CABCVRRESA-N -1 0 338.492 3.878 20 0 EHADRM CC(C)c1cnc(COC(=O)c2ccccc2S[C@H](C)C(=O)[O-])o1 ZINC000736718912 600189948 /nfs/dbraw/zinc/18/99/48/600189948.db2.gz VYTGYVGOXGIXAN-LLVKDONJSA-N -1 0 349.408 3.720 20 0 EHADRM O=C([O-])CSCCC(=O)Nc1nc2c(ccc3ccccc23)s1 ZINC000739853257 600190152 /nfs/dbraw/zinc/19/01/52/600190152.db2.gz OZVKUGMMKBIXAK-UHFFFAOYSA-N -1 0 346.433 3.596 20 0 EHADRM CC(C)c1ocnc1C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000736531075 600191003 /nfs/dbraw/zinc/19/10/03/600191003.db2.gz VAKRUQOKSXDTDC-UHFFFAOYSA-N -1 0 334.397 3.689 20 0 EHADRM C/C(=C\C(=O)N[C@H](CC(=O)[O-])c1cccs1)c1cccc(F)c1 ZINC000736121475 600191950 /nfs/dbraw/zinc/19/19/50/600191950.db2.gz RSRGNSOGMRJLKE-BMGYJQCNSA-N -1 0 333.384 3.623 20 0 EHADRM O=C([O-])CSCCC(=O)N(Cc1ccccc1F)c1ccccc1 ZINC000739842131 600194249 /nfs/dbraw/zinc/19/42/49/600194249.db2.gz AAHJQHWFWNDHSF-UHFFFAOYSA-N -1 0 347.411 3.567 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)CC[C@H]1CCCCO1 ZINC000238012237 600194600 /nfs/dbraw/zinc/19/46/00/600194600.db2.gz JIVMGNTZLSGPEZ-OAHLLOKOSA-N -1 0 327.380 3.826 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCc2ccc(Cl)s2)c(F)c1 ZINC000479596148 600200121 /nfs/dbraw/zinc/20/01/21/600200121.db2.gz VIDAWXPLCIDRPS-UHFFFAOYSA-N -1 0 327.764 3.810 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2cc3c(cccc3F)[nH]2)c1 ZINC000740072474 600203356 /nfs/dbraw/zinc/20/33/56/600203356.db2.gz PPSQYMHTVFZNNV-UHFFFAOYSA-N -1 0 332.718 3.911 20 0 EHADRM CCC/C(C)=C/C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000736958414 600204243 /nfs/dbraw/zinc/20/42/43/600204243.db2.gz BLPXVKONHHRFAO-FMIVXFBMSA-N -1 0 325.355 3.515 20 0 EHADRM C[C@@H](CC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1cccc(F)c1 ZINC000237290389 600206786 /nfs/dbraw/zinc/20/67/86/600206786.db2.gz IOSHBFPKKOIRFT-ZDUSSCGKSA-N -1 0 329.371 3.676 20 0 EHADRM Cc1cccc(-c2noc(COc3ccc(Cl)cc3C(=O)[O-])n2)c1 ZINC000738681353 600207029 /nfs/dbraw/zinc/20/70/29/600207029.db2.gz UMXUBISVUGSBQQ-UHFFFAOYSA-N -1 0 344.754 3.976 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000237599389 600207445 /nfs/dbraw/zinc/20/74/45/600207445.db2.gz BCOBPLAKGSCTBT-AWEZNQCLSA-N -1 0 341.407 3.899 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)OCc1csc(C2CCCCC2)n1 ZINC000736384887 600210053 /nfs/dbraw/zinc/21/00/53/600210053.db2.gz KJZRTUBQRFWAFP-ZDUSSCGKSA-N -1 0 340.445 3.526 20 0 EHADRM CCCCS[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000598669904 600211759 /nfs/dbraw/zinc/21/17/59/600211759.db2.gz RCAMKPAEFRVNMY-VIFPVBQESA-N -1 0 347.383 3.847 20 0 EHADRM CC(C)c1ccc(NC(=O)CN(C)[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000736515496 600213113 /nfs/dbraw/zinc/21/31/13/600213113.db2.gz NBWMVNCNOBMLFD-IBGZPJMESA-N -1 0 340.423 3.506 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1Oc1cc(C)nc(C2CC2)n1 ZINC000737880314 600213795 /nfs/dbraw/zinc/21/37/95/600213795.db2.gz YQDJCBHADRBEGG-YWEYNIOJSA-N -1 0 326.352 3.561 20 0 EHADRM CN(Cc1coc(-c2cccs2)n1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737496850 600214935 /nfs/dbraw/zinc/21/49/35/600214935.db2.gz LBXJVYMCJWURDL-HNNXBMFYSA-N -1 0 328.393 3.661 20 0 EHADRM C[C@H]1CCc2c(C(=O)N3C[C@H](C(=O)[O-])c4ccccc43)csc2C1 ZINC000177468799 600215330 /nfs/dbraw/zinc/21/53/30/600215330.db2.gz BJBHFYUIYMQNGQ-FZMZJTMJSA-N -1 0 341.432 3.702 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000177479613 600219010 /nfs/dbraw/zinc/21/90/10/600219010.db2.gz AKGIQMMUTBEUNP-CYBMUJFWSA-N -1 0 335.281 3.534 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)CCCc2ccc(Cl)cc2)c2ccccc21 ZINC000262843291 600222866 /nfs/dbraw/zinc/22/28/66/600222866.db2.gz UZVCOTVMXQZCPA-MRXNPFEDSA-N -1 0 343.810 3.878 20 0 EHADRM CCN(CC)C(=O)[C@@H](Nc1cccc(NC(=O)[O-])c1)c1ccccc1 ZINC000737078470 600227592 /nfs/dbraw/zinc/22/75/92/600227592.db2.gz MMRMZCPQGMNHKE-KRWDZBQOSA-N -1 0 341.411 3.798 20 0 EHADRM CCn1ncc2ccc(NC(=O)Nc3cccc(NC(=O)[O-])c3)cc21 ZINC000737311652 600232028 /nfs/dbraw/zinc/23/20/28/600232028.db2.gz CMZXVELUEDDJDN-UHFFFAOYSA-N -1 0 339.355 3.790 20 0 EHADRM CCc1ccc(NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)cc1 ZINC000737266725 600232142 /nfs/dbraw/zinc/23/21/42/600232142.db2.gz PHVUBFCFVKDRLI-UHFFFAOYSA-N -1 0 328.368 3.747 20 0 EHADRM Cc1ccc(CCNC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000738592719 600241652 /nfs/dbraw/zinc/24/16/52/600241652.db2.gz NWBSPZLKZGXHLE-UHFFFAOYSA-N -1 0 331.347 3.588 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)c2ccc(Oc3ccccc3)nc2)c1 ZINC000739888454 600242873 /nfs/dbraw/zinc/24/28/73/600242873.db2.gz MGKHNJLKOKDYNM-UHFFFAOYSA-N -1 0 349.342 3.720 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)OCc2ccc3ncccc3c2)cc1 ZINC000739260808 600243098 /nfs/dbraw/zinc/24/30/98/600243098.db2.gz MWZKACFCBATCIU-UHFFFAOYSA-N -1 0 335.359 3.609 20 0 EHADRM Cc1ccc(OC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)c(C(=O)[O-])c1 ZINC000738635575 600245817 /nfs/dbraw/zinc/24/58/17/600245817.db2.gz DSMQUYLEIDUONL-WDEREUQCSA-N -1 0 332.302 3.681 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)C[C@@H](C)c1cccc(F)c1 ZINC000738083438 600247683 /nfs/dbraw/zinc/24/76/83/600247683.db2.gz BOAYOYVBHNGTBU-LLVKDONJSA-N -1 0 332.327 3.632 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)Cc1csc2ccccc12 ZINC000738083458 600249883 /nfs/dbraw/zinc/24/98/83/600249883.db2.gz BPYXSQZRLDJIDE-UHFFFAOYSA-N -1 0 342.372 3.756 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)C[C@@H](C)c1ccccc1F ZINC000738085233 600251093 /nfs/dbraw/zinc/25/10/93/600251093.db2.gz LNLYGOTVGUJQCA-LLVKDONJSA-N -1 0 332.327 3.632 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)CCc1cc(Cl)cs1)C2 ZINC000621556099 600251543 /nfs/dbraw/zinc/25/15/43/600251543.db2.gz BQCOHBJPLOXVGZ-UHFFFAOYSA-N -1 0 335.812 3.575 20 0 EHADRM Cc1cc(NC(=O)c2ccc(-c3cccs3)nc2C)c(C(=O)[O-])[nH]1 ZINC000738448944 600251677 /nfs/dbraw/zinc/25/16/77/600251677.db2.gz RSZRPWDAFOXMHF-UHFFFAOYSA-N -1 0 341.392 3.706 20 0 EHADRM O=C([O-])COc1ccc(C(=O)N2CCCCC[C@H]2c2ccco2)cc1 ZINC000621534695 600253353 /nfs/dbraw/zinc/25/33/53/600253353.db2.gz KJRSRFKIXVOEDZ-INIZCTEOSA-N -1 0 343.379 3.501 20 0 EHADRM Cc1cc(NC(=O)[C@H]2C[C@H]2c2cccc3ccccc32)c(C(=O)[O-])[nH]1 ZINC000738421005 600253862 /nfs/dbraw/zinc/25/38/62/600253862.db2.gz BHTZJAUVPRJORT-HOTGVXAUSA-N -1 0 334.375 3.917 20 0 EHADRM CCO[C@H](C)c1nc(COc2ccc(C(=O)[O-])cc2OC)cs1 ZINC000737158440 600260126 /nfs/dbraw/zinc/26/01/26/600260126.db2.gz RIUZKCALWQDHIO-SNVBAGLBSA-N -1 0 337.397 3.526 20 0 EHADRM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000736758604 600275120 /nfs/dbraw/zinc/27/51/20/600275120.db2.gz DYFVUFWIBVJHGF-WFASDCNBSA-N -1 0 342.370 3.934 20 0 EHADRM CCCCc1noc(CSc2nc3ccc(C(=O)[O-])cc3o2)n1 ZINC000737005037 600276585 /nfs/dbraw/zinc/27/65/85/600276585.db2.gz ZMVSBEGGIXLYJE-UHFFFAOYSA-N -1 0 333.369 3.544 20 0 EHADRM COc1ccc(CSc2nc3ccc(C(=O)[O-])cc3o2)cc1F ZINC000738016514 600278411 /nfs/dbraw/zinc/27/84/11/600278411.db2.gz OLJKETYNAWAUDM-UHFFFAOYSA-N -1 0 333.340 3.966 20 0 EHADRM C[C@@H]1CCCC[C@@H]1NC(=S)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736784374 600279354 /nfs/dbraw/zinc/27/93/54/600279354.db2.gz IDRTUMCLIPKTTJ-DOMZBBRYSA-N -1 0 335.473 3.662 20 0 EHADRM CCc1[nH]c(C(=O)N2CCCC3(CCCCC3)C2)c(C)c1C(=O)[O-] ZINC000737242204 600280654 /nfs/dbraw/zinc/28/06/54/600280654.db2.gz QHPBDGAXGWXYFD-UHFFFAOYSA-N -1 0 332.444 3.770 20 0 EHADRM C[C@H](COc1ccccc1)NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000736617771 600283485 /nfs/dbraw/zinc/28/34/85/600283485.db2.gz WROHHDMBKHSAHC-LLVKDONJSA-N -1 0 348.786 3.627 20 0 EHADRM CCc1sc(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cc1C ZINC000737291885 600286708 /nfs/dbraw/zinc/28/67/08/600286708.db2.gz JGFBLKLDOCMFDJ-UHFFFAOYSA-N -1 0 332.425 3.981 20 0 EHADRM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736708127 600292612 /nfs/dbraw/zinc/29/26/12/600292612.db2.gz PVAQYPZCOPYCKF-LLVKDONJSA-N -1 0 348.786 3.514 20 0 EHADRM C[C@@H](NC(=O)NCCCCCCC(=O)[O-])c1ccc(F)cc1Cl ZINC000736648018 600293552 /nfs/dbraw/zinc/29/35/52/600293552.db2.gz WTYYCNNEGSWCCG-LLVKDONJSA-N -1 0 344.814 3.874 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)CCOc2ccccc2Cl)cc1 ZINC000739985294 600297607 /nfs/dbraw/zinc/29/76/07/600297607.db2.gz ICKQAQNDIKZWAH-UHFFFAOYSA-N -1 0 348.786 3.515 20 0 EHADRM Cc1cccc(CCC(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000738707225 600322583 /nfs/dbraw/zinc/32/25/83/600322583.db2.gz HYYLFOQUAVZBJF-KRWDZBQOSA-N -1 0 332.783 3.950 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1c[nH]c2ccccc12)c1cccc(Cl)c1 ZINC000740288528 600324616 /nfs/dbraw/zinc/32/46/16/600324616.db2.gz BPYROVCWKPOBHC-OAHLLOKOSA-N -1 0 329.739 3.804 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1c[nH]c2ccccc12)c1cccc(Cl)c1 ZINC000740288527 600324655 /nfs/dbraw/zinc/32/46/55/600324655.db2.gz BPYROVCWKPOBHC-HNNXBMFYSA-N -1 0 329.739 3.804 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cc2c(cccc2F)[nH]1)c1cccc(Cl)c1 ZINC000740291563 600325801 /nfs/dbraw/zinc/32/58/01/600325801.db2.gz LWCWTIIWYIBMOP-OAHLLOKOSA-N -1 0 347.729 3.943 20 0 EHADRM O=C([O-])CCN(Cc1nc2ccccc2o1)Cc1ccc(F)c(F)c1 ZINC000739720212 600327007 /nfs/dbraw/zinc/32/70/07/600327007.db2.gz LPEIBCJOSBPNAP-UHFFFAOYSA-N -1 0 346.333 3.583 20 0 EHADRM O=C([O-])[C@@H](OC(=O)[C@@H]1CCOc2ccccc21)c1cccc(Cl)c1 ZINC000740289831 600329800 /nfs/dbraw/zinc/32/98/00/600329800.db2.gz GUWMIBQSTKZMPY-ZBFHGGJFSA-N -1 0 346.766 3.575 20 0 EHADRM CN(Cc1ccc(NC(=O)Nc2ccc3c(c2)CCC3)cc1)C(=O)[O-] ZINC000737480200 600334632 /nfs/dbraw/zinc/33/46/32/600334632.db2.gz ILRAFHCBBASRNQ-UHFFFAOYSA-N -1 0 339.395 3.929 20 0 EHADRM Cc1ccc(NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)c(F)c1 ZINC000738627021 600334834 /nfs/dbraw/zinc/33/48/34/600334834.db2.gz HAABCUXGZCDMJC-UHFFFAOYSA-N -1 0 331.347 3.888 20 0 EHADRM CC[C@@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC000322021349 600334995 /nfs/dbraw/zinc/33/49/95/600334995.db2.gz QUVBVWIXPXRBEN-SNVBAGLBSA-N -1 0 326.343 3.707 20 0 EHADRM CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736940702 600344122 /nfs/dbraw/zinc/34/41/22/600344122.db2.gz HCNWGEZLRXWHQP-HOCLYGCPSA-N -1 0 333.432 3.887 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cc1 ZINC000738552176 600347622 /nfs/dbraw/zinc/34/76/22/600347622.db2.gz OBDFCTFJAPYXKE-CQSZACIVSA-N -1 0 341.411 3.988 20 0 EHADRM CC(C)[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736395950 600348156 /nfs/dbraw/zinc/34/81/56/600348156.db2.gz SHGHIYDYFYYFDI-HZPDHXFCSA-N -1 0 333.432 3.791 20 0 EHADRM Cc1cc(CNC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)ccc1F ZINC000738389618 600348627 /nfs/dbraw/zinc/34/86/27/600348627.db2.gz QRAVBRAMYVCILH-UHFFFAOYSA-N -1 0 345.374 3.566 20 0 EHADRM Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000738671585 600350756 /nfs/dbraw/zinc/35/07/56/600350756.db2.gz ZWCRTROCTCZUAU-KRWDZBQOSA-N -1 0 339.395 3.572 20 0 EHADRM C[C@@H](SCc1noc(CCCC(=O)[O-])n1)c1ccc(F)c(F)c1 ZINC000736712493 600351704 /nfs/dbraw/zinc/35/17/04/600351704.db2.gz NETDSYVBGNISEV-SECBINFHSA-N -1 0 342.367 3.750 20 0 EHADRM Cc1oc(-c2ccccc2F)nc1C(=O)Oc1ccccc1C(=O)[O-] ZINC000738956325 600366848 /nfs/dbraw/zinc/36/68/48/600366848.db2.gz SDULECDXKUWSMD-UHFFFAOYSA-N -1 0 341.294 3.707 20 0 EHADRM O=C([O-])c1ccc(OC(=O)c2coc(-c3ccccc3)n2)c(Cl)c1 ZINC000740160956 600368178 /nfs/dbraw/zinc/36/81/78/600368178.db2.gz NUWIGKLYIDKXIL-UHFFFAOYSA-N -1 0 343.722 3.912 20 0 EHADRM Cc1cc(NC(=O)CCOc2c(C)cccc2C)sc1C(=O)[O-] ZINC000320401250 600370357 /nfs/dbraw/zinc/37/03/57/600370357.db2.gz ZECXVDZGFUUJOH-UHFFFAOYSA-N -1 0 333.409 3.779 20 0 EHADRM Cc1cc(NC(=O)c2cnn(-c3ccccc3C)c2)sc1C(=O)[O-] ZINC000738324050 600370900 /nfs/dbraw/zinc/37/09/00/600370900.db2.gz OIZBWSCHLNOOCY-UHFFFAOYSA-N -1 0 341.392 3.501 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC000736617450 600370897 /nfs/dbraw/zinc/37/08/97/600370897.db2.gz GWOUWJFGDFISPC-CYBMUJFWSA-N -1 0 330.405 3.856 20 0 EHADRM C[C@@H](C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)c1ccsc1 ZINC000736213759 600373297 /nfs/dbraw/zinc/37/32/97/600373297.db2.gz BSDRJUVCSSWYIA-GFCCVEGCSA-N -1 0 344.436 3.789 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000675945931 600373407 /nfs/dbraw/zinc/37/34/07/600373407.db2.gz ISKXTJWPGVJVQO-OAHLLOKOSA-N -1 0 343.398 3.508 20 0 EHADRM CC[C@@H](CC(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccc(C)cc1 ZINC000236923314 600373626 /nfs/dbraw/zinc/37/36/26/600373626.db2.gz DJZDVWUTPLNRTR-KRWDZBQOSA-N -1 0 339.435 3.936 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CC/C=C/c1ccccc1)c1cccs1 ZINC000238096443 600373937 /nfs/dbraw/zinc/37/39/37/600373937.db2.gz MUWADLLLTBQXRK-BCFOUKGLSA-N -1 0 329.421 3.874 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)[C@@H](C)c1cccs1 ZINC000737870090 600374536 /nfs/dbraw/zinc/37/45/36/600374536.db2.gz CPHUCWXJUWWOEV-IOCXFXADSA-N -1 0 332.377 3.564 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1ccc(F)cc1Cl)c1ccccc1 ZINC000736853451 600379725 /nfs/dbraw/zinc/37/97/25/600379725.db2.gz SSWGCUGIEWHCGM-OAHLLOKOSA-N -1 0 335.762 3.989 20 0 EHADRM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000736826133 600379875 /nfs/dbraw/zinc/37/98/75/600379875.db2.gz PRGUCBUHLHGWLP-JDNHERCYSA-N -1 0 346.333 3.718 20 0 EHADRM COC(=O)c1ccc2nc(S[C@H](C(=O)[O-])c3ccccc3)oc2c1 ZINC000737707560 600380038 /nfs/dbraw/zinc/38/00/38/600380038.db2.gz HYXFBCSHGWMRQI-AWEZNQCLSA-N -1 0 343.360 3.532 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)CSc1ccc2ccccc2c1 ZINC000236829633 600380804 /nfs/dbraw/zinc/38/08/04/600380804.db2.gz DHPXXGUARXBFFC-UHFFFAOYSA-N -1 0 331.437 3.692 20 0 EHADRM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000736823809 600380899 /nfs/dbraw/zinc/38/08/99/600380899.db2.gz CPINNWQBLWBTEW-BDJLRTHQSA-N -1 0 325.368 3.832 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)C[C@@H]1CCOc2ccccc21 ZINC000739223185 600381957 /nfs/dbraw/zinc/38/19/57/600381957.db2.gz QTAIYERALHRENJ-NSHDSACASA-N -1 0 345.782 3.933 20 0 EHADRM CC(=CC(=O)NCCc1ccc(NC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000736120085 600382961 /nfs/dbraw/zinc/38/29/61/600382961.db2.gz FDLCTTBVWSHCDI-SEYXRHQNSA-N -1 0 342.370 3.678 20 0 EHADRM C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000736717658 600383000 /nfs/dbraw/zinc/38/30/00/600383000.db2.gz PANVAIGDVWYWAG-JTQLQIEISA-N -1 0 334.322 3.888 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)C[C@H]2CCOc3ccccc32)cc1 ZINC000238040350 600383386 /nfs/dbraw/zinc/38/33/86/600383386.db2.gz JSWWVMZKDPDISD-OAHLLOKOSA-N -1 0 339.391 3.599 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)c2sccc2C2CC2)cc1 ZINC000740021201 600383606 /nfs/dbraw/zinc/38/36/06/600383606.db2.gz XYFMTQJFLJBMLA-UHFFFAOYSA-N -1 0 330.409 3.688 20 0 EHADRM C[C@@H](CC(=O)NC(C)(C)CCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000237387582 600384386 /nfs/dbraw/zinc/38/43/86/600384386.db2.gz XEGHODVVOUAXBK-NSHDSACASA-N -1 0 345.361 3.959 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1ccc(OC(F)F)cc1)c1ccccc1 ZINC000736851597 600384774 /nfs/dbraw/zinc/38/47/74/600384774.db2.gz QZYJBXFJTDHTIS-HNNXBMFYSA-N -1 0 349.333 3.798 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@@H](C)Cc1ccccc1)c1ccccc1 ZINC000736850996 600385734 /nfs/dbraw/zinc/38/57/34/600385734.db2.gz ZTAUHKJCMZUCEK-MAUKXSAKSA-N -1 0 325.408 3.762 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CCC[C@H]2Cc2ccccc2)ccc1F ZINC000740089512 600386285 /nfs/dbraw/zinc/38/62/85/600386285.db2.gz BFMPYPGCYZGEAC-HNNXBMFYSA-N -1 0 342.370 3.763 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000736648564 600388502 /nfs/dbraw/zinc/38/85/02/600388502.db2.gz GDCLWYWEGHTNTB-QMMMGPOBSA-N -1 0 338.285 3.685 20 0 EHADRM C[C@H]1Cc2ccccc2[C@H]1NC(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000736823232 600392276 /nfs/dbraw/zinc/39/22/76/600392276.db2.gz BNWAMULRRSCGHK-SJCJKPOMSA-N -1 0 339.395 3.856 20 0 EHADRM Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)o1 ZINC000141266525 600392924 /nfs/dbraw/zinc/39/29/24/600392924.db2.gz OZYBYALABPHSOI-OAHLLOKOSA-N -1 0 329.396 3.831 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2CC=CCC2)cc1 ZINC000236611489 600393081 /nfs/dbraw/zinc/39/30/81/600393081.db2.gz WBTAHOMXRNEWKV-WBVHZDCISA-N -1 0 329.440 3.972 20 0 EHADRM CCN(C(=O)c1coc(-c2ccccc2)n1)c1ccccc1C(=O)[O-] ZINC000737061752 600400018 /nfs/dbraw/zinc/40/00/18/600400018.db2.gz HTIOBPGIHNNWRD-UHFFFAOYSA-N -1 0 336.347 3.707 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)c1nc(C)cs1 ZINC000736914315 600401922 /nfs/dbraw/zinc/40/19/22/600401922.db2.gz PERPVXDLZZRSRJ-LLVKDONJSA-N -1 0 337.376 3.562 20 0 EHADRM COc1cc(NC(=O)[C@@H](C)CC2CCCC2)c(C(=O)[O-])cc1OC ZINC000737893097 600403241 /nfs/dbraw/zinc/40/32/41/600403241.db2.gz XAFPDYJODSYGAH-NSHDSACASA-N -1 0 335.400 3.557 20 0 EHADRM CC[C@@H](C)[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736871026 600408398 /nfs/dbraw/zinc/40/83/98/600408398.db2.gz NKIWEYLRQOGXHB-RKDXNWHRSA-N -1 0 330.331 3.542 20 0 EHADRM Cc1cc(C(=O)NCCc2ccc(NC(=O)[O-])cc2)c(C)n1C(C)C ZINC000738332088 600411924 /nfs/dbraw/zinc/41/19/24/600411924.db2.gz DHEPCTANDHRFEZ-UHFFFAOYSA-N -1 0 343.427 3.748 20 0 EHADRM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC000348437513 600415397 /nfs/dbraw/zinc/41/53/97/600415397.db2.gz NMARQCWZUSFAFH-KBXCAEBGSA-N -1 0 338.407 3.702 20 0 EHADRM C[C@H]1CCc2[nH]c3ccc(C(=O)NC(C)(C)CCC(=O)[O-])cc3c2C1 ZINC000362470772 600415735 /nfs/dbraw/zinc/41/57/35/600415735.db2.gz YXLHJPYUFJBVNG-LBPRGKRZSA-N -1 0 342.439 3.666 20 0 EHADRM CCn1c(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)nc2ccccc21 ZINC000562343932 600417739 /nfs/dbraw/zinc/41/77/39/600417739.db2.gz PDWQQSMXXUMSDL-KRWDZBQOSA-N -1 0 343.814 3.625 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000676212218 600418505 /nfs/dbraw/zinc/41/85/05/600418505.db2.gz DULDRQUJUVXUIE-UHFFFAOYSA-N -1 0 345.370 3.991 20 0 EHADRM CC[C@@H](NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)c1ccc(Cl)s1 ZINC000736914293 600423506 /nfs/dbraw/zinc/42/35/06/600423506.db2.gz OKMILNWBDHEQFL-SECBINFHSA-N -1 0 340.832 3.926 20 0 EHADRM COc1cc(N[C@H](C(=O)[O-])c2cccc(Cl)c2)ccc1NC(C)=O ZINC000737896923 600424910 /nfs/dbraw/zinc/42/49/10/600424910.db2.gz ZDCLLBZKNYWDLL-INIZCTEOSA-N -1 0 348.786 3.545 20 0 EHADRM COCCOCc1cccc(N[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000737813841 600425741 /nfs/dbraw/zinc/42/57/41/600425741.db2.gz HSYPWQUCQTVPSQ-KRWDZBQOSA-N -1 0 349.814 3.741 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)C[C@H]1CCc2ccccc2C1 ZINC000740243573 600425835 /nfs/dbraw/zinc/42/58/35/600425835.db2.gz ZBJOAGJPNHMFRK-HNNXBMFYSA-N -1 0 349.430 3.859 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)c1 ZINC000740241981 600427304 /nfs/dbraw/zinc/42/73/04/600427304.db2.gz POXLHBBQRFKRJQ-IRXDYDNUSA-N -1 0 332.359 3.675 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)[C@@H](C)Cc1ccccc1)C(=O)[O-] ZINC000237400178 600427454 /nfs/dbraw/zinc/42/74/54/600427454.db2.gz PILFHYWLPBANJJ-DLBZAZTESA-N -1 0 339.435 3.615 20 0 EHADRM CC(C)[C@H](Sc1ccccc1)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC000736390225 600427870 /nfs/dbraw/zinc/42/78/70/600427870.db2.gz IHWULQXRFPXLSG-HNNXBMFYSA-N -1 0 330.409 3.535 20 0 EHADRM CC(=O)Nc1cc(N[C@H](C(=O)[O-])c2ccc(F)cc2)ccc1Cl ZINC000736160348 600428581 /nfs/dbraw/zinc/42/85/81/600428581.db2.gz AXDUBYAUOKPNBR-HNNXBMFYSA-N -1 0 336.750 3.675 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)c1 ZINC000740245647 600429219 /nfs/dbraw/zinc/42/92/19/600429219.db2.gz WIFYPFFSGBRUKU-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM CCOc1cc(CNc2nc(Cl)c(C(=O)[O-])s2)ccc1OC ZINC000737191392 600435808 /nfs/dbraw/zinc/43/58/08/600435808.db2.gz KOYMKKOMZQDJRM-UHFFFAOYSA-N -1 0 342.804 3.514 20 0 EHADRM C[C@H](N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1nc2ccccc2s1 ZINC000736662098 600438704 /nfs/dbraw/zinc/43/87/04/600438704.db2.gz LSENTCGIUIPAFV-ZUZCIYMTSA-N -1 0 330.384 3.912 20 0 EHADRM O=C([O-])[C@H](OC(=O)CCSc1ccccc1)c1ccc(F)cc1 ZINC000739252909 600443723 /nfs/dbraw/zinc/44/37/23/600443723.db2.gz XZWSNANCILTNNN-MRXNPFEDSA-N -1 0 334.368 3.677 20 0 EHADRM CC(C)OCc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000736486093 600448084 /nfs/dbraw/zinc/44/80/84/600448084.db2.gz NFAWBEFOFYBLEX-QGZVFWFLSA-N -1 0 346.354 3.733 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(F)cc1 ZINC000740288560 600449729 /nfs/dbraw/zinc/44/97/29/600449729.db2.gz CAFRAUYMZFEUNK-HNNXBMFYSA-N -1 0 347.729 3.943 20 0 EHADRM O=C([O-])[C@H](OC(=O)Cc1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000739338501 600449738 /nfs/dbraw/zinc/44/97/38/600449738.db2.gz IXTSYMQXORGNTI-OAHLLOKOSA-N -1 0 340.709 3.530 20 0 EHADRM CCOc1ncccc1C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000737222126 600451799 /nfs/dbraw/zinc/45/17/99/600451799.db2.gz JVZCDDRSZNBDDO-UHFFFAOYSA-N -1 0 348.424 3.790 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)OCC(=O)c1cc(C(=O)[O-])co1 ZINC000736904364 600453741 /nfs/dbraw/zinc/45/37/41/600453741.db2.gz KKTIDYGYLHMCGB-CYBMUJFWSA-N -1 0 336.384 3.700 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736904644 600456316 /nfs/dbraw/zinc/45/63/16/600456316.db2.gz VYNHIPUVDLTEIU-YOEHRIQHSA-N -1 0 330.355 3.764 20 0 EHADRM C[C@@H](NC(=O)N1CCC(C(=O)[O-])CC1)c1cccc(Cl)c1Cl ZINC000263251944 600466080 /nfs/dbraw/zinc/46/60/80/600466080.db2.gz PBFKOWKRGUHGKY-SECBINFHSA-N -1 0 345.226 3.561 20 0 EHADRM O=C([O-])C1CCC(NC(=O)NC(C2CCCC2)C2CCCC2)CC1 ZINC000738483644 600466794 /nfs/dbraw/zinc/46/67/94/600466794.db2.gz QOSLOOJYILHXGY-UHFFFAOYSA-N -1 0 336.476 3.678 20 0 EHADRM CC1CCC(=CC(=O)N(CC(=O)[O-])Cc2ccc(F)c(F)c2)CC1 ZINC000736764728 600467871 /nfs/dbraw/zinc/46/78/71/600467871.db2.gz WGGKSTJFRADASI-UHFFFAOYSA-N -1 0 337.366 3.515 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)c1coc(-c2ccccc2)n1 ZINC000740289773 600470024 /nfs/dbraw/zinc/47/00/24/600470024.db2.gz JSSXEYGHPSOMAR-UHFFFAOYSA-N -1 0 341.294 3.536 20 0 EHADRM C[C@H](OC(=O)C[C@H]1CCOc2ccccc21)c1ccc(C(=O)[O-])cc1 ZINC000738228319 600472002 /nfs/dbraw/zinc/47/20/02/600472002.db2.gz RHUKRRCYZUFVQW-XJKSGUPXSA-N -1 0 340.375 3.945 20 0 EHADRM Cc1sc(NC(=O)[C@H]2CSc3ccccc32)c(C(=O)[O-])c1C ZINC000317716086 600473819 /nfs/dbraw/zinc/47/38/19/600473819.db2.gz MPXZKAPPYHYQOU-NSHDSACASA-N -1 0 333.434 3.891 20 0 EHADRM CC[C@@H](C)[C@H]1CCCCN1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000736879273 600474127 /nfs/dbraw/zinc/47/41/27/600474127.db2.gz COEJPXPPBXVKOF-CZUORRHYSA-N -1 0 334.416 3.583 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2CSc3ccccc32)ccc1Cl ZINC000317457630 600474911 /nfs/dbraw/zinc/47/49/11/600474911.db2.gz OIQJGWYIRJKNMU-GFCCVEGCSA-N -1 0 333.796 3.866 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ncoc2-c2ccccc2)cc1Cl ZINC000740161868 600477556 /nfs/dbraw/zinc/47/75/56/600477556.db2.gz STAYRBCQXOHOSK-UHFFFAOYSA-N -1 0 342.738 3.946 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)s1 ZINC000321827953 600477798 /nfs/dbraw/zinc/47/77/98/600477798.db2.gz FYXMXXPTUZHLGO-SECBINFHSA-N -1 0 336.388 3.647 20 0 EHADRM CCOc1ncc(C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)cc1Cl ZINC000737220339 600478860 /nfs/dbraw/zinc/47/88/60/600478860.db2.gz NTGUYFRINAMZJV-UHFFFAOYSA-N -1 0 349.774 3.500 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000238174994 600479265 /nfs/dbraw/zinc/47/92/65/600479265.db2.gz NJFUJXFXWHOOIK-ZIAGYGMSSA-N -1 0 333.746 3.920 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000736903421 600479340 /nfs/dbraw/zinc/47/93/40/600479340.db2.gz IZZHWKMEAFOVQO-QGZVFWFLSA-N -1 0 325.408 3.911 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)s1 ZINC000321856339 600480931 /nfs/dbraw/zinc/48/09/31/600480931.db2.gz LJHVJBCYUUCMJZ-NSHDSACASA-N -1 0 332.425 3.816 20 0 EHADRM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)NC2CCC(C(=O)[O-])CC2)C1 ZINC000263477459 600495533 /nfs/dbraw/zinc/49/55/33/600495533.db2.gz MZKWUQRJFPLCDX-SOEBMCCKSA-N -1 0 344.455 3.526 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)c2cc3ccsc3[nH]2)cc1 ZINC000739686291 600495985 /nfs/dbraw/zinc/49/59/85/600495985.db2.gz BKEYLPPHFSFWCL-UHFFFAOYSA-N -1 0 344.392 3.725 20 0 EHADRM CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000736250937 600505637 /nfs/dbraw/zinc/50/56/37/600505637.db2.gz MWCUIXNOWBQRQE-DOMZBBRYSA-N -1 0 349.431 3.739 20 0 EHADRM Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)OC(=O)CN(C)C(=O)[O-] ZINC000738493268 600511948 /nfs/dbraw/zinc/51/19/48/600511948.db2.gz PBPCCRZCSRMZSO-LBPRGKRZSA-N -1 0 348.424 3.641 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NC/C=C\c2ccccc2)cc1Cl ZINC000739415918 600512775 /nfs/dbraw/zinc/51/27/75/600512775.db2.gz ZBKBQGOZWXTEKC-DAXSKMNVSA-N -1 0 330.771 3.873 20 0 EHADRM O=C([O-])c1ccc(Cl)cc1OC(=O)[C@H]1CSc2ccccc21 ZINC000740133858 600519334 /nfs/dbraw/zinc/51/93/34/600519334.db2.gz GDJABPLVSLCVJS-LBPRGKRZSA-N -1 0 334.780 3.833 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@@H](Cc1ccccc1)C(C)C ZINC000737857387 600521148 /nfs/dbraw/zinc/52/11/48/600521148.db2.gz CUEFUAGBEYESBC-INIZCTEOSA-N -1 0 342.391 3.814 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000236716641 600522502 /nfs/dbraw/zinc/52/25/02/600522502.db2.gz QNDRZGGHKSVNND-OAHLLOKOSA-N -1 0 329.371 3.977 20 0 EHADRM O=C([O-])CCSCc1cccc(Nc2ccnc(C3CC3)n2)c1 ZINC000739753509 600523290 /nfs/dbraw/zinc/52/32/90/600523290.db2.gz OKIXJJGCZFBNKJ-UHFFFAOYSA-N -1 0 329.425 3.806 20 0 EHADRM CCCc1nc(C)c(C(=O)N(CC)c2ccccc2C(=O)[O-])s1 ZINC000737051117 600524061 /nfs/dbraw/zinc/52/40/61/600524061.db2.gz RMSRDPOFOWZXSL-UHFFFAOYSA-N -1 0 332.425 3.769 20 0 EHADRM Cc1nc2cc(NCc3cc(C)c(OCC(=O)[O-])c(C)c3)ccc2o1 ZINC000738874393 600524308 /nfs/dbraw/zinc/52/43/08/600524308.db2.gz KWXMWWNAJUAWOD-UHFFFAOYSA-N -1 0 340.379 3.829 20 0 EHADRM Cc1cccc([C@@H](C)C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000139364898 600526333 /nfs/dbraw/zinc/52/63/33/600526333.db2.gz VPMGCLUFCAZPHG-QAPCUYQASA-N -1 0 325.408 3.821 20 0 EHADRM CS[C@@H](C(=O)Nc1ccc(F)c(NC(=O)[O-])c1)c1ccccc1 ZINC000738181245 600526724 /nfs/dbraw/zinc/52/67/24/600526724.db2.gz IEZYHEYKEOMCNS-CQSZACIVSA-N -1 0 334.372 3.958 20 0 EHADRM C/C(=C/C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC000736122282 600529166 /nfs/dbraw/zinc/52/91/66/600529166.db2.gz YZZUKXDJTQAZHQ-CMUBDUJZSA-N -1 0 343.345 3.724 20 0 EHADRM C[C@H](CC(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC000675985761 600530908 /nfs/dbraw/zinc/53/09/08/600530908.db2.gz DZAQZVZDNMWPJX-YGRLFVJLSA-N -1 0 345.361 3.815 20 0 EHADRM CCN(C(=O)c1cc(F)c(F)cc1Cl)c1ccccc1C(=O)[O-] ZINC000737058713 600531747 /nfs/dbraw/zinc/53/17/47/600531747.db2.gz RFILNZMABTZEIQ-UHFFFAOYSA-N -1 0 339.725 3.983 20 0 EHADRM COc1ccccc1CC(C)(C)C(=O)Oc1ccc(C(=O)[O-])cc1 ZINC000738123733 600532205 /nfs/dbraw/zinc/53/22/05/600532205.db2.gz HAJSZODIQVYGSZ-UHFFFAOYSA-N -1 0 328.364 3.568 20 0 EHADRM CC(C)(C)[C@H](NC(=O)CSc1ccc2ccccc2c1)C(=O)[O-] ZINC000675986987 600533471 /nfs/dbraw/zinc/53/34/71/600533471.db2.gz OJPCWGFGJGQMPR-MRXNPFEDSA-N -1 0 331.437 3.547 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)NC/C=C/c1ccccc1)C(=O)[O-] ZINC000181916598 600534818 /nfs/dbraw/zinc/53/48/18/600534818.db2.gz SOZBCPTTYLRXFC-DNGMOHDESA-N -1 0 341.432 3.695 20 0 EHADRM Cc1ccccc1NC(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000738777049 600539775 /nfs/dbraw/zinc/53/97/75/600539775.db2.gz DMCIWTSQNZQDLI-UHFFFAOYSA-N -1 0 342.395 3.560 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N1CCc2c(Cl)cccc2C1 ZINC000740047990 600550707 /nfs/dbraw/zinc/55/07/07/600550707.db2.gz WZYMXEOCZVQPBV-UHFFFAOYSA-N -1 0 330.771 3.628 20 0 EHADRM C[C@@H]1CCCC[C@H]1OCC(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC000736785533 600551885 /nfs/dbraw/zinc/55/18/85/600551885.db2.gz QJRRBDHMIRVDJC-ZWNOBZJWSA-N -1 0 326.776 3.539 20 0 EHADRM C[C@H]1CCCC[C@@H]1OCC(=O)Oc1ccc(Cl)cc1C(=O)[O-] ZINC000736785802 600553987 /nfs/dbraw/zinc/55/39/87/600553987.db2.gz RSDIDTDZAXDSMY-GWCFXTLKSA-N -1 0 326.776 3.539 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N[C@H]1CC[C@@H](C)C[C@@H]1C)C(=O)[O-] ZINC000736769740 600564551 /nfs/dbraw/zinc/56/45/51/600564551.db2.gz XLGQWOGKXRTALY-OSFYFWSMSA-N -1 0 335.469 3.806 20 0 EHADRM Cc1cccc2sc(NC(=O)c3ccccc3NC(=O)[O-])nc21 ZINC000738749950 600567295 /nfs/dbraw/zinc/56/72/95/600567295.db2.gz MNKSLOGDOZGLQA-UHFFFAOYSA-N -1 0 327.365 3.947 20 0 EHADRM CCOc1ccc([C@@H](C)NC(=O)c2ccccc2NC(=O)[O-])cc1 ZINC000737195681 600567420 /nfs/dbraw/zinc/56/74/20/600567420.db2.gz WFDLHHUDHXKBAL-GFCCVEGCSA-N -1 0 328.368 3.666 20 0 EHADRM COc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccccc1NC(=O)[O-] ZINC000738073172 600569584 /nfs/dbraw/zinc/56/95/84/600569584.db2.gz CBUZZQXXUYGXMM-MRXNPFEDSA-N -1 0 340.379 3.593 20 0 EHADRM CCC[C@@](C)(NC(=O)c1ccc(C)c(Oc2ccncc2)c1)C(=O)[O-] ZINC000736960249 600570620 /nfs/dbraw/zinc/57/06/20/600570620.db2.gz NXJSXTBGCGTXCI-LJQANCHMSA-N -1 0 342.395 3.556 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)C(C)C ZINC000738787277 600579700 /nfs/dbraw/zinc/57/97/00/600579700.db2.gz VYIOBFHALUPICS-SFHVURJKSA-N -1 0 340.423 3.534 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000191600154 600579913 /nfs/dbraw/zinc/57/99/13/600579913.db2.gz HUDIPJQUPMEHGU-HNAYVOBHSA-N -1 0 337.419 3.722 20 0 EHADRM CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)S[C@@H](C)CC(=O)[O-] ZINC000736196903 600583649 /nfs/dbraw/zinc/58/36/49/600583649.db2.gz RCNPYVDPWXYMKZ-ONGXEEELSA-N -1 0 349.408 3.559 20 0 EHADRM C[C@H](CC(=O)[O-])SCc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000321711112 600584873 /nfs/dbraw/zinc/58/48/73/600584873.db2.gz VECJJVIMPOMYMR-MRVPVSSYSA-N -1 0 346.330 3.852 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc2occc2s1)c1ccc(F)cc1 ZINC000738567747 600586137 /nfs/dbraw/zinc/58/61/37/600586137.db2.gz ZGXZIXSWERMHEA-NSHDSACASA-N -1 0 333.340 3.579 20 0 EHADRM CC(C)Cc1ccc([C@@H](C)NC(=O)CS[C@H](C)CC(=O)[O-])cc1 ZINC000736454247 600589345 /nfs/dbraw/zinc/58/93/45/600589345.db2.gz SJXKQICKHVKIMJ-ZIAGYGMSSA-N -1 0 337.485 3.659 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000736708571 600589907 /nfs/dbraw/zinc/58/99/07/600589907.db2.gz JEGIMCYYMJXQFC-YOEHRIQHSA-N -1 0 343.448 3.593 20 0 EHADRM CCc1sc(-c2nnc(CS[C@H](C)CC(=O)[O-])o2)cc1C ZINC000737291519 600591443 /nfs/dbraw/zinc/59/14/43/600591443.db2.gz APJVPZMRIJADBR-SECBINFHSA-N -1 0 326.443 3.765 20 0 EHADRM C[C@@H](CN(C)C(=O)/C(=C\c1ccc(F)cc1)c1cccs1)C(=O)[O-] ZINC000736570886 600595380 /nfs/dbraw/zinc/59/53/80/600595380.db2.gz FQPPBUBRJJJFHC-GQVHDAKQSA-N -1 0 347.411 3.607 20 0 EHADRM O=C(/C=C/c1ccco1)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000739214108 600599830 /nfs/dbraw/zinc/59/98/30/600599830.db2.gz CINDBKXTWNPDOQ-SXSDINLZSA-N -1 0 349.386 3.506 20 0 EHADRM CC(C)[C@H](SC[C@@H](C)C(=O)[O-])C(=O)NC1CCCCCCC1 ZINC000736606790 600600404 /nfs/dbraw/zinc/60/04/04/600600404.db2.gz IIGWBKICOUGWIR-HIFRSBDPSA-N -1 0 329.506 3.694 20 0 EHADRM CC(C)Cc1ccc([C@H](C)NC(=O)CSC[C@@H](C)C(=O)[O-])cc1 ZINC000736454818 600602737 /nfs/dbraw/zinc/60/27/37/600602737.db2.gz XCSFGTJKUZJAIY-KGLIPLIRSA-N -1 0 337.485 3.516 20 0 EHADRM Cc1sc2[nH]c([C@H](C)SC[C@H](C)C(=O)[O-])nc(=O)c2c1C ZINC000738995503 600603223 /nfs/dbraw/zinc/60/32/23/600603223.db2.gz CQRWZUURIVNTRC-RCOVLWMOSA-N -1 0 326.443 3.529 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc(OC2CCCC2)cc1)c1ccccc1 ZINC000156338522 600605350 /nfs/dbraw/zinc/60/53/50/600605350.db2.gz FTTFZJASTKTUAW-UHFFFAOYSA-N -1 0 339.391 3.739 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)[C@H]1COc2ccccc21 ZINC000327192182 600617183 /nfs/dbraw/zinc/61/71/83/600617183.db2.gz DITNLBNHJZYHKZ-INIZCTEOSA-N -1 0 333.343 3.653 20 0 EHADRM CCOc1cc(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)ccc1C ZINC000737185938 600617943 /nfs/dbraw/zinc/61/79/43/600617943.db2.gz FKXWPZUMBDTNNR-UHFFFAOYSA-N -1 0 332.331 3.875 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2ncoc2-c2ccccc2)c1 ZINC000740072525 600619043 /nfs/dbraw/zinc/61/90/43/600619043.db2.gz RUACJQIIIBQBDD-UHFFFAOYSA-N -1 0 342.738 3.946 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)CCC(=O)c2cccs2)c1 ZINC000192888077 600619609 /nfs/dbraw/zinc/61/96/09/600619609.db2.gz YGGAPECQORRYJJ-UHFFFAOYSA-N -1 0 337.784 3.701 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)[O-] ZINC000237001895 600624870 /nfs/dbraw/zinc/62/48/70/600624870.db2.gz HYKKUUTUNCPBIF-XIKOKIGWSA-N -1 0 347.386 3.634 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1ccc(Cl)cc1-n1cccc1 ZINC000739668443 600627259 /nfs/dbraw/zinc/62/72/59/600627259.db2.gz RJQNYWDNBDDPID-UHFFFAOYSA-N -1 0 349.818 3.897 20 0 EHADRM Cc1cc(OCc2nc(-c3ccccc3C)no2)c(C(=O)[O-])s1 ZINC000323676732 600638796 /nfs/dbraw/zinc/63/87/96/600638796.db2.gz GJWILNRIOVVNGV-UHFFFAOYSA-N -1 0 330.365 3.692 20 0 EHADRM CC(C)CC[C@@H](NC(=O)Nc1nc(CC(=O)[O-])cs1)C(C)(C)C ZINC000736426199 600641516 /nfs/dbraw/zinc/64/15/16/600641516.db2.gz IXWMDHBYOYRRCP-GFCCVEGCSA-N -1 0 341.477 3.743 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000738550818 600645276 /nfs/dbraw/zinc/64/52/76/600645276.db2.gz JALLKLSTVUKTSK-CZUORRHYSA-N -1 0 335.444 3.501 20 0 EHADRM CCN(C(=O)CSCc1ccc(F)cc1)c1ccccc1C(=O)[O-] ZINC000737060627 600646975 /nfs/dbraw/zinc/64/69/75/600646975.db2.gz PEZAHMOCJHROIQ-UHFFFAOYSA-N -1 0 347.411 3.810 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)ccc2o1 ZINC000179964802 600655279 /nfs/dbraw/zinc/65/52/79/600655279.db2.gz FQWLTUDSPUZBQR-NWDGAFQWSA-N -1 0 344.411 3.955 20 0 EHADRM CSc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000681679705 600659824 /nfs/dbraw/zinc/65/98/24/600659824.db2.gz PIPFWEXHHGVXAM-LLVKDONJSA-N -1 0 331.393 3.513 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000832589531 600660232 /nfs/dbraw/zinc/66/02/32/600660232.db2.gz QJKUBOWVFCSAFV-XIKOKIGWSA-N -1 0 346.354 3.697 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NC2(c3ccc(F)cc3)CCCC2)C1 ZINC000179982415 600665408 /nfs/dbraw/zinc/66/54/08/600665408.db2.gz WFOSQUGWNRSMQI-ZIAGYGMSSA-N -1 0 333.403 3.602 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N(CCc2ccccc2)C2CCCC2)C1 ZINC000498636251 600665465 /nfs/dbraw/zinc/66/54/65/600665465.db2.gz AESXDSCIPCKSRP-ROUUACIJSA-N -1 0 343.467 3.891 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000828900738 600667665 /nfs/dbraw/zinc/66/76/65/600667665.db2.gz KYHRPOIYBQIYFM-WMLDXEAASA-N -1 0 330.355 3.764 20 0 EHADRM Cc1sc2ncnc(NC[C@H](C(=O)[O-])c3ccccc3)c2c1C ZINC000321202795 600670362 /nfs/dbraw/zinc/67/03/62/600670362.db2.gz HHELNMJSERJGDE-ZDUSSCGKSA-N -1 0 327.409 3.588 20 0 EHADRM Cc1ccc2[nH]c(C(=O)O[C@@H](C(=O)[O-])c3ccccc3F)cc2c1C ZINC000832959169 600678739 /nfs/dbraw/zinc/67/87/39/600678739.db2.gz QNSVRMGHQDSPEI-QGZVFWFLSA-N -1 0 341.338 3.907 20 0 EHADRM C[C@]1(c2nc(-c3ccc(C(=O)[O-])cc3)no2)CCc2ccccc2C1 ZINC000828128677 600692532 /nfs/dbraw/zinc/69/25/32/600692532.db2.gz VCNPDIUBPRBRAP-FQEVSTJZSA-N -1 0 334.375 3.881 20 0 EHADRM O=C([O-])c1ccc(-c2noc([C@@H]3C[C@]34CCOc3ccccc34)n2)cc1 ZINC000833308416 600693390 /nfs/dbraw/zinc/69/33/90/600693390.db2.gz PBKZYPRLXOVJMT-YWZLYKJASA-N -1 0 348.358 3.643 20 0 EHADRM COc1cccc([C@@H]2C[C@H]2c2nc(-c3cccc(C(=O)[O-])c3)no2)c1 ZINC000832541120 600694383 /nfs/dbraw/zinc/69/43/83/600694383.db2.gz ZYZKGPHFNSVGOK-JKSUJKDBSA-N -1 0 336.347 3.715 20 0 EHADRM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N2CCC(CC(=O)[O-])CC2)cc1 ZINC000262411397 600695275 /nfs/dbraw/zinc/69/52/75/600695275.db2.gz JHAAZCZQGCZNPW-MSOLQXFVSA-N -1 0 329.440 3.627 20 0 EHADRM O=C([O-])c1cccc(-c2noc(-c3ccc(C(F)(F)F)cn3)n2)c1 ZINC000392417187 600698741 /nfs/dbraw/zinc/69/87/41/600698741.db2.gz ZTHKDGZETUQORQ-UHFFFAOYSA-N -1 0 335.241 3.516 20 0 EHADRM O=C([O-])c1cccc(-c2noc(-c3ccc(OCC4CC4)cc3)n2)c1 ZINC000833325954 600699196 /nfs/dbraw/zinc/69/91/96/600699196.db2.gz BQNXAXQRQCOOGK-UHFFFAOYSA-N -1 0 336.347 3.891 20 0 EHADRM Cc1ccc(OCCCc2nc(-c3cccc(C(=O)[O-])c3)no2)cc1 ZINC000832952441 600699252 /nfs/dbraw/zinc/69/92/52/600699252.db2.gz LUJOSYQVVKFOAR-UHFFFAOYSA-N -1 0 338.363 3.755 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cc2cccc(F)c2o1)c1ccc(F)cc1 ZINC000833350931 600699565 /nfs/dbraw/zinc/69/95/65/600699565.db2.gz MRYPSOAGNVTYAQ-OAHLLOKOSA-N -1 0 332.258 3.694 20 0 EHADRM C[C@@H]1CC[C@H](CCC(=O)NCc2c3ccccc3sc2C(=O)[O-])O1 ZINC000676018828 600705898 /nfs/dbraw/zinc/70/58/98/600705898.db2.gz OFJVBYMBDJXSHU-VXGBXAGGSA-N -1 0 347.436 3.563 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@H]1CCSc2ccccc21)c1ccccc1F ZINC000833349144 600710707 /nfs/dbraw/zinc/71/07/07/600710707.db2.gz BSPPTJCRGSHAIH-BLLLJJGKSA-N -1 0 346.379 3.774 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@H]1SCCc2ccccc21)c1ccccc1F ZINC000833168400 600714035 /nfs/dbraw/zinc/71/40/35/600714035.db2.gz AJBQZSNKYFUZIN-CVEARBPZSA-N -1 0 346.379 3.525 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000827427696 600721647 /nfs/dbraw/zinc/72/16/47/600721647.db2.gz LNBXQVZXUOBKQQ-GFCCVEGCSA-N -1 0 348.345 3.975 20 0 EHADRM Cc1ccc(C(C)(C)CN(C)C(=O)NCCCCCC(=O)[O-])cc1 ZINC000414605684 600722453 /nfs/dbraw/zinc/72/24/53/600722453.db2.gz DENWDGWYHGALEA-UHFFFAOYSA-N -1 0 334.460 3.559 20 0 EHADRM CCCn1c(SC/C=C(/C)C(=O)[O-])nnc1-c1cccc(C)c1 ZINC000829580543 600726583 /nfs/dbraw/zinc/72/65/83/600726583.db2.gz YWBXPSKYALNIFD-JYRVWZFOSA-N -1 0 331.441 3.787 20 0 EHADRM CC[C@@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)c1cc(F)ccc1F ZINC000736913406 600728340 /nfs/dbraw/zinc/72/83/40/600728340.db2.gz BDEIGAMNVQVIHV-MRXNPFEDSA-N -1 0 348.349 3.614 20 0 EHADRM O=C([O-])c1occc1[C@@H]1Nc2ccc(Cl)cc2C(=O)N1CC1CC1 ZINC000740282361 600729140 /nfs/dbraw/zinc/72/91/40/600729140.db2.gz VAAIINRKVMCREY-OAHLLOKOSA-N -1 0 346.770 3.608 20 0 EHADRM Cc1nc(CNc2nc(C)nc3sc(C(=O)[O-])c(C)c32)sc1C ZINC000833003176 600730459 /nfs/dbraw/zinc/73/04/59/600730459.db2.gz PTJNQPGTEAZWTL-UHFFFAOYSA-N -1 0 348.453 3.692 20 0 EHADRM CC(C)Oc1ccc(COC(=O)c2ccc(NC(=O)[O-])c(O)c2)cc1 ZINC000827055004 600732937 /nfs/dbraw/zinc/73/29/37/600732937.db2.gz UTXNDYMDCYCARB-UHFFFAOYSA-N -1 0 345.351 3.626 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)OCc2occc2C(=O)[O-])cc1 ZINC000736512805 600734221 /nfs/dbraw/zinc/73/42/21/600734221.db2.gz NLNGKXPPXVVXDF-JKSUJKDBSA-N -1 0 328.364 3.948 20 0 EHADRM O=C([O-])[C@H](NCc1ccccc1OC(F)(F)F)c1ccccc1F ZINC000833169360 600734952 /nfs/dbraw/zinc/73/49/52/600734952.db2.gz GJRWSQKYSJLIMY-CQSZACIVSA-N -1 0 343.276 3.640 20 0 EHADRM O=C([O-])c1cccc(COC(=O)c2cc(Oc3ccccc3)ccn2)c1 ZINC000833329818 600741384 /nfs/dbraw/zinc/74/13/84/600741384.db2.gz UVNBYOYEIVMTSK-UHFFFAOYSA-N -1 0 349.342 3.929 20 0 EHADRM CCO[C@@H]1CCCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000652394859 600742620 /nfs/dbraw/zinc/74/26/20/600742620.db2.gz KJBFMTUVMDFYLI-RISCZKNCSA-N -1 0 332.227 3.620 20 0 EHADRM Cc1noc(C)c1CN[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000833020907 600743498 /nfs/dbraw/zinc/74/34/98/600743498.db2.gz DYJDPNDRJMLHHH-CYBMUJFWSA-N -1 0 329.183 3.514 20 0 EHADRM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)NCCCCC(=O)[O-])o1 ZINC000666561706 600743736 /nfs/dbraw/zinc/74/37/36/600743736.db2.gz BMECBVXOEXEGEA-UKRRQHHQSA-N -1 0 336.432 3.580 20 0 EHADRM O=C([O-])[C@@H](Nc1ccc(CCO)cc1)c1ccc(Cl)cc1Cl ZINC000833169492 600749480 /nfs/dbraw/zinc/74/94/80/600749480.db2.gz NJEOVGOIRXULCQ-HNNXBMFYSA-N -1 0 340.206 3.766 20 0 EHADRM CC(C)(CC(=O)[O-])NC(=O)c1sc2cc(F)ccc2c1Cl ZINC000084146203 600778186 /nfs/dbraw/zinc/77/81/86/600778186.db2.gz KFHOVDSLFOEQFW-UHFFFAOYSA-N -1 0 329.780 3.677 20 0 EHADRM Cc1oc(CN(C)C(=O)NCCCCC2CCCC2)cc1C(=O)[O-] ZINC000833025680 600778962 /nfs/dbraw/zinc/77/89/62/600778962.db2.gz PBRUNCJHGGZZQY-UHFFFAOYSA-N -1 0 336.432 3.788 20 0 EHADRM Cc1cccc(COc2cccc(C(=O)NC(C)(C)CC(=O)[O-])c2)c1 ZINC000738718049 600779607 /nfs/dbraw/zinc/77/96/07/600779607.db2.gz TWJOFCRGPULNLW-UHFFFAOYSA-N -1 0 341.407 3.557 20 0 EHADRM Cc1cc(C)cc(C(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)c1 ZINC000237828974 600796485 /nfs/dbraw/zinc/79/64/85/600796485.db2.gz UCQPJBXOWQJHRT-UHFFFAOYSA-N -1 0 347.361 3.699 20 0 EHADRM C[C@H](C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1)c1ccccc1F ZINC000776673335 600806612 /nfs/dbraw/zinc/80/66/12/600806612.db2.gz DEGPWRGYBCSJLL-MEDUHNTESA-N -1 0 349.789 3.915 20 0 EHADRM Cc1nc(NC(=O)CCc2c[nH]c3cc(C)ccc23)sc1C(=O)[O-] ZINC000832959915 600807242 /nfs/dbraw/zinc/80/72/42/600807242.db2.gz KXECTKWJCOZPPG-UHFFFAOYSA-N -1 0 343.408 3.511 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cc2ccccc2[nH]1)c1cccc(Cl)c1 ZINC000776671654 600807491 /nfs/dbraw/zinc/80/74/91/600807491.db2.gz CDYPGEYDCCBQPK-OAHLLOKOSA-N -1 0 342.782 3.767 20 0 EHADRM Cc1[nH]c(C(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)c(C)c1C(=O)[O-] ZINC000832843386 600810275 /nfs/dbraw/zinc/81/02/75/600810275.db2.gz LAPOMVDTPKKKEX-ZWNOBZJWSA-N -1 0 330.384 3.536 20 0 EHADRM Cc1cccc([C@@H](C)CNC(=O)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC000738693163 600810938 /nfs/dbraw/zinc/81/09/38/600810938.db2.gz SWIJVGBIKVSRTI-HNNXBMFYSA-N -1 0 340.423 3.937 20 0 EHADRM O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)c1ccncc1Cl ZINC000390378115 600817623 /nfs/dbraw/zinc/81/76/23/600817623.db2.gz WSRBMAUWXQZYJC-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM Cc1nc(C)c(CNc2nc(C)nc3sc(C(=O)[O-])c(C)c32)s1 ZINC000649391735 600818466 /nfs/dbraw/zinc/81/84/66/600818466.db2.gz SIADKQSVCYFVMY-UHFFFAOYSA-N -1 0 348.453 3.692 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=S)N[C@H]1CCOc2ccccc21 ZINC000738535747 600819468 /nfs/dbraw/zinc/81/94/68/600819468.db2.gz PKHLWHQORIBRAW-AWEZNQCLSA-N -1 0 342.420 3.503 20 0 EHADRM Cc1ccc(N(C)C(C)C)c(C(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000738608685 600824983 /nfs/dbraw/zinc/82/49/83/600824983.db2.gz RGYNWGYLPOBDKB-UHFFFAOYSA-N -1 0 326.396 3.790 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC000736772288 600827355 /nfs/dbraw/zinc/82/73/55/600827355.db2.gz AIAYICLNDRUVON-KGLIPLIRSA-N -1 0 330.428 3.750 20 0 EHADRM CC[C@@H]1CN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C[C@@H](C)O1 ZINC000829151467 600829045 /nfs/dbraw/zinc/82/90/45/600829045.db2.gz RWMVUHROKYITED-MLGOLLRUSA-N -1 0 346.452 3.508 20 0 EHADRM Cc1cccc2c(CCC(=O)Nc3sccc3C(=O)[O-])c[nH]c21 ZINC000738748325 600834545 /nfs/dbraw/zinc/83/45/45/600834545.db2.gz SSJANEBNRRBPOM-UHFFFAOYSA-N -1 0 328.393 3.807 20 0 EHADRM O=C([O-])[C@H](Sc1n[nH]c(Cc2cccs2)n1)c1ccccc1F ZINC000833169632 600836671 /nfs/dbraw/zinc/83/66/71/600836671.db2.gz LHUVJOJAXMKTNE-CYBMUJFWSA-N -1 0 349.412 3.514 20 0 EHADRM Cc1nc2ccccc2nc1S[C@@H](C(=O)[O-])c1ccccc1F ZINC000833005627 600837596 /nfs/dbraw/zinc/83/75/96/600837596.db2.gz DUUICSPWRWJPDK-OAHLLOKOSA-N -1 0 328.368 3.995 20 0 EHADRM COC(=O)[C@@H](C)CS[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000831058812 600840104 /nfs/dbraw/zinc/84/01/04/600840104.db2.gz AWDLDLGLOMLJRU-WRWORJQWSA-N -1 0 337.224 3.661 20 0 EHADRM O=C([O-])CN(Cc1ccc(F)c(F)c1)C(=O)C1CCCCCCC1 ZINC000739797119 600841519 /nfs/dbraw/zinc/84/15/19/600841519.db2.gz RAIANUJGMKWTRI-UHFFFAOYSA-N -1 0 339.382 3.739 20 0 EHADRM Cc1cccc(NC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c1Cl ZINC000323622200 600846023 /nfs/dbraw/zinc/84/60/23/600846023.db2.gz CHCXVENAWVXKFX-AWEZNQCLSA-N -1 0 332.787 3.986 20 0 EHADRM CSc1ccccc1C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000390859191 600847891 /nfs/dbraw/zinc/84/78/91/600847891.db2.gz LGVPPTFKKFODKU-GFCCVEGCSA-N -1 0 327.405 3.627 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@H](C)CCc1cccc(F)c1 ZINC000831913044 600849417 /nfs/dbraw/zinc/84/94/17/600849417.db2.gz JDUPKKHRAIEIBB-GFCCVEGCSA-N -1 0 346.354 3.707 20 0 EHADRM CCCOc1ccc(CCC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000767090703 600851791 /nfs/dbraw/zinc/85/17/91/600851791.db2.gz WGNWILJGPIFJAQ-UHFFFAOYSA-N -1 0 345.370 3.884 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)CCc2cc(F)ccc2F)c2ccccc21 ZINC000739640604 600853033 /nfs/dbraw/zinc/85/30/33/600853033.db2.gz FBYWITMIZZZJSI-ZDUSSCGKSA-N -1 0 345.345 3.503 20 0 EHADRM COc1cc(NC(=O)CCCC2CCCC2)c(C(=O)[O-])cc1OC ZINC000832017314 600857975 /nfs/dbraw/zinc/85/79/75/600857975.db2.gz QNEFTUZIRIIPMD-UHFFFAOYSA-N -1 0 335.400 3.701 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000540669872 600858789 /nfs/dbraw/zinc/85/87/89/600858789.db2.gz RUVICXLCDSCHFQ-JLSDUUJJSA-N -1 0 347.455 3.717 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)[C@@H]2SCCc3sccc32)cc1 ZINC000833286445 600862160 /nfs/dbraw/zinc/86/21/60/600862160.db2.gz RXHBYCRDPBVMGZ-CYBMUJFWSA-N -1 0 334.422 3.807 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000237522931 600862774 /nfs/dbraw/zinc/86/27/74/600862774.db2.gz FALFPXIYSHTUGG-KCMWZYNZSA-N -1 0 347.430 3.639 20 0 EHADRM CCC[C@@](C)(NC(=O)/C=C(/C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000236969363 600866893 /nfs/dbraw/zinc/86/68/93/600866893.db2.gz FSOVVKMFYIIMLC-HGPCXVNDSA-N -1 0 343.345 3.868 20 0 EHADRM CC(C)(C)CC(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000736251035 600868435 /nfs/dbraw/zinc/86/84/35/600868435.db2.gz MPWHTKQDUJHWHH-UHFFFAOYSA-N -1 0 332.169 3.661 20 0 EHADRM CN(C(=O)CC1CCC1)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000830466313 600872342 /nfs/dbraw/zinc/87/23/42/600872342.db2.gz XUYHFTCZOMQETM-CQSZACIVSA-N -1 0 330.211 3.768 20 0 EHADRM C[C@@H](CC(=O)Nc1cc(C(=O)[O-])ccc1F)C(=O)c1cccc(F)c1 ZINC000827234643 600877066 /nfs/dbraw/zinc/87/70/66/600877066.db2.gz HTKLKCZNFHAXCT-JTQLQIEISA-N -1 0 347.317 3.511 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2ccnc3ccccc32)cc1 ZINC000392722899 600879412 /nfs/dbraw/zinc/87/94/12/600879412.db2.gz JPFUPGBWGKXAKH-UHFFFAOYSA-N -1 0 334.375 3.849 20 0 EHADRM CCc1ccc(CN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C2CC2)cc1 ZINC000179959065 600885567 /nfs/dbraw/zinc/88/55/67/600885567.db2.gz HGZFTJVGSKRUHD-SJORKVTESA-N -1 0 329.440 3.631 20 0 EHADRM CC(C)[C@@H](C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000236650648 600888743 /nfs/dbraw/zinc/88/87/43/600888743.db2.gz JJQDXPPQGUJWMO-MRXNPFEDSA-N -1 0 342.351 3.671 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)CCSc2ccccc2F)cc1 ZINC000833265876 600889566 /nfs/dbraw/zinc/88/95/66/600889566.db2.gz HGVNPCSAESFRIL-UHFFFAOYSA-N -1 0 334.368 3.541 20 0 EHADRM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1)C(F)(F)F ZINC000825994182 600891106 /nfs/dbraw/zinc/89/11/06/600891106.db2.gz CXBQRZOBKBMLGX-GXFFZTMASA-N -1 0 345.361 3.815 20 0 EHADRM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000314220730 600900452 /nfs/dbraw/zinc/90/04/52/600900452.db2.gz MFUNHSYTEKIAEZ-SECBINFHSA-N -1 0 339.800 3.814 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)s1 ZINC000314246573 600900761 /nfs/dbraw/zinc/90/07/61/600900761.db2.gz QDWXMAAWFLEWPH-UHFFFAOYSA-N -1 0 331.271 3.597 20 0 EHADRM Cc1cc(OCC(=O)Nc2ccc(C(=O)[O-])s2)ccc1C(C)C ZINC000832900447 600900877 /nfs/dbraw/zinc/90/08/77/600900877.db2.gz DNWCUFKLJQTJIF-UHFFFAOYSA-N -1 0 333.409 3.896 20 0 EHADRM Cc1[nH]c(C(=O)N2C[C@H](C)C[C@H]2c2ccccc2F)c(C)c1C(=O)[O-] ZINC000832842878 600903880 /nfs/dbraw/zinc/90/38/80/600903880.db2.gz FQKMKGCRQRPGCW-BMIGLBTASA-N -1 0 344.386 3.692 20 0 EHADRM CN(C(=O)CCSCC(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000830471579 600904329 /nfs/dbraw/zinc/90/43/29/600904329.db2.gz GWVXSSGDRSBPAQ-UHFFFAOYSA-N -1 0 329.421 3.524 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N(Cc2ccccc2)CC2CCC2)C1 ZINC000179981436 600909711 /nfs/dbraw/zinc/90/97/11/600909711.db2.gz VSESBTNWEMGSFH-ROUUACIJSA-N -1 0 329.440 3.706 20 0 EHADRM CCCN(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)[C@H]1CCc2ccccc21 ZINC000829453215 600914033 /nfs/dbraw/zinc/91/40/33/600914033.db2.gz PRPFKFQEOUGWDV-NUJGCVRESA-N -1 0 329.440 3.804 20 0 EHADRM CC(C)C[C@@H](CNC(=O)C(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000262468505 600917983 /nfs/dbraw/zinc/91/79/83/600917983.db2.gz JFQXWCNJJCYPSC-SFHVURJKSA-N -1 0 339.435 3.682 20 0 EHADRM CC(C)C[C@H](CNC(=O)CSc1ccc2ccccc2c1)C(=O)[O-] ZINC000486288248 600918200 /nfs/dbraw/zinc/91/82/00/600918200.db2.gz BCOYKYSZAIDTMA-MRXNPFEDSA-N -1 0 345.464 3.795 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2cnccc2Oc2ccccc2)C1 ZINC000833187493 600918706 /nfs/dbraw/zinc/91/87/06/600918706.db2.gz RPFSJCPCMAULNL-UONOGXRCSA-N -1 0 340.379 3.703 20 0 EHADRM CC(C)C[C@@H](CNC(=O)c1cc2ccc(C(C)C)cc2[nH]1)C(=O)[O-] ZINC000736404406 600919943 /nfs/dbraw/zinc/91/99/43/600919943.db2.gz PDLSTDDHXHIRML-HNNXBMFYSA-N -1 0 330.428 3.768 20 0 EHADRM Cc1c(C(=O)NC[C@H](CC(C)C)C(=O)[O-])oc2c1c(C)ccc2C ZINC000486289688 600919997 /nfs/dbraw/zinc/91/99/97/600919997.db2.gz FHZAWKVPKILXCS-AWEZNQCLSA-N -1 0 331.412 3.835 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NCC2(c3ccc(Cl)cc3)CCC2)C1 ZINC000179995958 600923505 /nfs/dbraw/zinc/92/35/05/600923505.db2.gz NUHLYWGSNBPVHA-ZIAGYGMSSA-N -1 0 349.858 3.769 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)NC(CC)(CC)C(=O)[O-] ZINC000808520799 600924625 /nfs/dbraw/zinc/92/46/25/600924625.db2.gz YGYMMQPOJDMXLF-FNDVETGQSA-N -1 0 333.428 3.637 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000245745704 600931284 /nfs/dbraw/zinc/93/12/84/600931284.db2.gz SLYMAWPSINNDGW-NWANDNLSSA-N -1 0 335.469 3.867 20 0 EHADRM CCCC[C@@H](Sc1nnc(-c2ccccc2OCC)o1)C(=O)[O-] ZINC000736986091 600936181 /nfs/dbraw/zinc/93/61/81/600936181.db2.gz STGUQOXQRFJAHO-CYBMUJFWSA-N -1 0 336.413 3.871 20 0 EHADRM COc1ccc2c(c1)nccc2OCc1ccc(F)cc1C(=O)[O-] ZINC000738073759 600943650 /nfs/dbraw/zinc/94/36/50/600943650.db2.gz KOKWPAOZKZBGOX-UHFFFAOYSA-N -1 0 327.311 3.660 20 0 EHADRM O=C([O-])c1cccc(COC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)c1 ZINC000833328940 600945164 /nfs/dbraw/zinc/94/51/64/600945164.db2.gz DRTJWZPZWLCZKW-ZFWWWQNUSA-N -1 0 332.302 3.510 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000827427744 600946715 /nfs/dbraw/zinc/94/67/15/600946715.db2.gz MVAAUIMRMSRNBK-ZDUSSCGKSA-N -1 0 330.355 3.627 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000827427382 600946787 /nfs/dbraw/zinc/94/67/87/600946787.db2.gz HIIRBVOUHRFYJW-CYBMUJFWSA-N -1 0 330.355 3.627 20 0 EHADRM Cc1cc(COC(=O)c2cccc(NC(=O)[O-])c2)c2ccccc2n1 ZINC000832884705 600947120 /nfs/dbraw/zinc/94/71/20/600947120.db2.gz FCSZLTHNWOXVOT-UHFFFAOYSA-N -1 0 336.347 3.990 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cccc2cc[nH]c21)c1cccc(Cl)c1 ZINC000833348974 600948633 /nfs/dbraw/zinc/94/86/33/600948633.db2.gz AHACRXKKGZMDLH-OAHLLOKOSA-N -1 0 329.739 3.804 20 0 EHADRM CC(C)C[C@H](OC(=O)[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000826812595 600954000 /nfs/dbraw/zinc/95/40/00/600954000.db2.gz KOOAZPPZKJPGCZ-MFKMUULPSA-N -1 0 332.318 3.851 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)c1cc2cc(F)ccc2s1 ZINC000833269201 600959470 /nfs/dbraw/zinc/95/94/70/600959470.db2.gz LEANTECMGDABSL-UHFFFAOYSA-N -1 0 330.336 3.887 20 0 EHADRM O=C([O-])C[C@@H]1CN(CCOc2ccc(Cl)cc2)c2ccccc21 ZINC000321386160 600961327 /nfs/dbraw/zinc/96/13/27/600961327.db2.gz BXVHVUDAWCDNRL-CYBMUJFWSA-N -1 0 331.799 3.797 20 0 EHADRM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2cccc(C(=O)[O-])c2)o1 ZINC000237704612 600962158 /nfs/dbraw/zinc/96/21/58/600962158.db2.gz XNAQXOJZRWATHU-BLLLJJGKSA-N -1 0 327.380 3.900 20 0 EHADRM O=C([O-])C[C@@H]1CN(CCCOc2ccc(F)cc2)c2ccccc21 ZINC000391676802 600965483 /nfs/dbraw/zinc/96/54/83/600965483.db2.gz SZALKFVPTGRMNG-CQSZACIVSA-N -1 0 329.371 3.673 20 0 EHADRM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccc(C(=O)[O-])nc2)o1 ZINC000236973165 600967247 /nfs/dbraw/zinc/96/72/47/600967247.db2.gz APRHYMGALMPPKN-WBMJQRKESA-N -1 0 342.395 3.549 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000829004864 600968180 /nfs/dbraw/zinc/96/81/80/600968180.db2.gz QUBNOPGPVKDDPF-CPUCHLNUSA-N -1 0 333.428 3.722 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000766845429 600968314 /nfs/dbraw/zinc/96/83/14/600968314.db2.gz PFMPMHGWYGTNFE-ZDUSSCGKSA-N -1 0 341.382 3.682 20 0 EHADRM CCc1ccc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)o1 ZINC000263526162 600968605 /nfs/dbraw/zinc/96/86/05/600968605.db2.gz JXICLTOBKOCEKM-FMKPAKJESA-N -1 0 333.428 3.787 20 0 EHADRM Cc1noc(CSCc2csc(-c3cccc(C(=O)[O-])c3)n2)n1 ZINC000833022267 600969110 /nfs/dbraw/zinc/96/91/10/600969110.db2.gz CLVDLEOHYQOCNE-UHFFFAOYSA-N -1 0 347.421 3.633 20 0 EHADRM O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)CCC(F)(F)F ZINC000317328781 600970016 /nfs/dbraw/zinc/97/00/16/600970016.db2.gz CBAPNDDHBPJPGD-UHFFFAOYSA-N -1 0 329.196 3.685 20 0 EHADRM CCOc1cccc(NC(=S)Nc2cccc(NC(=O)[O-])c2)c1 ZINC000830104551 600970596 /nfs/dbraw/zinc/97/05/96/600970596.db2.gz HQRRPJKXGOLGFS-UHFFFAOYSA-N -1 0 331.397 3.984 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccc(OC3CCCC3)c(F)c2)C1 ZINC000180024673 600973433 /nfs/dbraw/zinc/97/34/33/600973433.db2.gz HZZHJMZAYLSQOV-STQMWFEESA-N -1 0 349.402 3.977 20 0 EHADRM O=C([O-])c1cccc(-c2nc(CSc3ncccn3)cs2)c1 ZINC000740212609 600983555 /nfs/dbraw/zinc/98/35/55/600983555.db2.gz MGSIUARBSROBHT-UHFFFAOYSA-N -1 0 329.406 3.591 20 0 EHADRM CC(C)CCc1nc(CN2C[C@@H](C(=O)[O-])Oc3ccccc32)cs1 ZINC000826860762 600984501 /nfs/dbraw/zinc/98/45/01/600984501.db2.gz GKFUVFNKRCFOQQ-INIZCTEOSA-N -1 0 346.452 3.584 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OCc1ccn(-c2ccc(F)cc2)n1 ZINC000738542214 600984744 /nfs/dbraw/zinc/98/47/44/600984744.db2.gz VHGFFDYZMQCMOQ-UHFFFAOYSA-N -1 0 326.327 3.597 20 0 EHADRM O=C([O-])[C@H](c1ccccc1F)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000583884014 600989245 /nfs/dbraw/zinc/98/92/45/600989245.db2.gz RXSZHIIIDXFQIY-SJORKVTESA-N -1 0 349.789 3.678 20 0 EHADRM Cc1c(CSC(C)C)cccc1NC(=S)NCCCC(=O)[O-] ZINC000738289826 600991967 /nfs/dbraw/zinc/99/19/67/600991967.db2.gz OBVKAWIETOLBKH-UHFFFAOYSA-N -1 0 340.514 3.788 20 0 EHADRM Cc1noc(C(F)F)c1C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC000833020265 600996254 /nfs/dbraw/zinc/99/62/54/600996254.db2.gz YMVMYADMLYDJBA-UHFFFAOYSA-N -1 0 338.310 3.995 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)c2cnc3ccsc3c2)c1 ZINC000740135505 600996562 /nfs/dbraw/zinc/99/65/62/600996562.db2.gz LTXZAYPHAKQRHH-UHFFFAOYSA-N -1 0 332.768 3.900 20 0 EHADRM O=C([O-])[C@H](NCc1ncc(-c2cccc(Cl)c2)o1)c1ccccc1 ZINC000324410801 600997045 /nfs/dbraw/zinc/99/70/45/600997045.db2.gz KHIUKJXWZULENG-QGZVFWFLSA-N -1 0 342.782 3.911 20 0 EHADRM CCCc1ccc(NC(=O)NC[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000324993080 600997823 /nfs/dbraw/zinc/99/78/23/600997823.db2.gz WDFJXXYPCXLEBU-KRWDZBQOSA-N -1 0 326.396 3.629 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NC[C@@H](C)Oc1ccccc1C ZINC000832916159 600998642 /nfs/dbraw/zinc/99/86/42/600998642.db2.gz SPWFGVGAWNUYHY-CQSZACIVSA-N -1 0 342.395 3.591 20 0 EHADRM C[C@H](CNC(=O)Nc1cccc(C(=O)[O-])c1)Oc1ccc(Cl)cc1 ZINC000827493756 601008799 /nfs/dbraw/zinc/00/87/99/601008799.db2.gz ZTAUDTSDPZJKGE-LLVKDONJSA-N -1 0 348.786 3.627 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cc(C(=O)[O-])ccc1F)SC ZINC000389771422 601009490 /nfs/dbraw/zinc/00/94/90/601009490.db2.gz ASEREMNZRPVGMJ-UHFFFAOYSA-N -1 0 328.409 3.567 20 0 EHADRM Cc1cc(C)cc(C[C@H](C)NC(=O)Nc2cc(C(=O)[O-])ccc2F)c1 ZINC000832876284 601010554 /nfs/dbraw/zinc/01/05/54/601010554.db2.gz IREPRSZFBFSYFK-ZDUSSCGKSA-N -1 0 344.386 3.893 20 0 EHADRM C[C@H]1Cc2ccccc2CN1C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000828516094 601014113 /nfs/dbraw/zinc/01/41/13/601014113.db2.gz IOJJWWIVKWTCLI-JTQLQIEISA-N -1 0 346.333 3.642 20 0 EHADRM COc1cccc(F)c1[C@H](C)NC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000832557883 601022271 /nfs/dbraw/zinc/02/22/71/601022271.db2.gz AYAZHMXFKMKXQG-JTQLQIEISA-N -1 0 347.346 3.807 20 0 EHADRM CCCOc1cc(C)ccc1NC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000829527722 601023449 /nfs/dbraw/zinc/02/34/49/601023449.db2.gz LFVGYGSREPIDGI-CQSZACIVSA-N -1 0 336.432 3.652 20 0 EHADRM O=C([O-])CCN(C(=O)CCc1cccc(Cl)c1)c1cccc(F)c1 ZINC000739713592 601025939 /nfs/dbraw/zinc/02/59/39/601025939.db2.gz YLDNNQZONIMMIB-UHFFFAOYSA-N -1 0 349.789 3.920 20 0 EHADRM CCN(C(=O)Nc1ccc(F)c(C(=O)[O-])c1)[C@H](C)c1cccc(O)c1 ZINC000829602421 601026207 /nfs/dbraw/zinc/02/62/07/601026207.db2.gz NJMRESAXUQYCHH-LLVKDONJSA-N -1 0 346.358 3.845 20 0 EHADRM O=C([O-])CCN(C(=O)c1cc2c(s1)CCCC2)c1cccc(F)c1 ZINC000739710702 601026677 /nfs/dbraw/zinc/02/66/77/601026677.db2.gz HBCGUCIKNZWWDC-UHFFFAOYSA-N -1 0 347.411 3.888 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)N[C@@H]2C[C@H]2C2CCCCC2)cc1 ZINC000830514117 601030330 /nfs/dbraw/zinc/03/03/30/601030330.db2.gz NEZDGDZDNLXCMG-JKSUJKDBSA-N -1 0 331.416 3.891 20 0 EHADRM O=C([O-])c1cnc(N(C(=O)/C=C/Sc2ccccc2)C2CC2)s1 ZINC000740253906 601040567 /nfs/dbraw/zinc/04/05/67/601040567.db2.gz MPOJDOYAXWCFOL-CMDGGOBGSA-N -1 0 346.433 3.643 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N[C@@H]2C[C@H]2C2CCCCC2)cc1 ZINC000833238981 601047116 /nfs/dbraw/zinc/04/71/16/601047116.db2.gz WBMMLJPNSJKWSP-DLBZAZTESA-N -1 0 330.428 3.794 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1ccc2oc(C(C)C)nc2c1)C(=O)[O-] ZINC000570273813 601054137 /nfs/dbraw/zinc/05/41/37/601054137.db2.gz RMJSHNUIWRUFEQ-LBPRGKRZSA-N -1 0 347.415 3.820 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2cc(Oc3ccccc3)ccn2)cc1 ZINC000431997842 601058729 /nfs/dbraw/zinc/05/87/29/601058729.db2.gz JMZLKWZEBXABLI-UHFFFAOYSA-N -1 0 348.358 3.753 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000236835549 601060208 /nfs/dbraw/zinc/06/02/08/601060208.db2.gz JILUYWSCVIOXMD-QWHCGFSZSA-N -1 0 344.238 3.857 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(N(C)C)cc2)cc1C(=O)[O-] ZINC000832941290 601065182 /nfs/dbraw/zinc/06/51/82/601065182.db2.gz IWHPCRPLWCQUDF-QZTJIDSGSA-N -1 0 338.407 3.501 20 0 EHADRM Cc1ccccc1CC(=O)OCCOc1ccc(C(=O)[O-])cc1Cl ZINC000832980559 601067205 /nfs/dbraw/zinc/06/72/05/601067205.db2.gz GWFMXSRTMMFVDY-UHFFFAOYSA-N -1 0 348.782 3.511 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N[C@@H]2C[C@H]2Cc2ccccc2)c1 ZINC000833152514 601070030 /nfs/dbraw/zinc/07/00/30/601070030.db2.gz DVSBKSAPKNSBII-MLGOLLRUSA-N -1 0 344.798 3.791 20 0 EHADRM O=C([O-])[C@@H](OC(=O)Cc1ccc2ccccc2c1)c1ccccc1F ZINC000833117510 601074385 /nfs/dbraw/zinc/07/43/85/601074385.db2.gz OQLYCBWYYXSEKA-IBGZPJMESA-N -1 0 338.334 3.891 20 0 EHADRM Cc1ccc(F)c(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)c1 ZINC000832935997 601077607 /nfs/dbraw/zinc/07/76/07/601077607.db2.gz WIONTOSBOFINTA-UHFFFAOYSA-N -1 0 336.388 3.839 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cc(F)c(F)cc1Cl)c1ccccc1F ZINC000833351948 601079002 /nfs/dbraw/zinc/07/90/02/601079002.db2.gz RBCRMPQYDHUFBU-CYBMUJFWSA-N -1 0 344.672 3.740 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000739394316 601081075 /nfs/dbraw/zinc/08/10/75/601081075.db2.gz ZAMUSTHYZJXVPU-FQEVSTJZSA-N -1 0 345.398 3.952 20 0 EHADRM Cc1cc(F)cc(C(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c1 ZINC000832887695 601082438 /nfs/dbraw/zinc/08/24/38/601082438.db2.gz YCZPCJQZXISYQJ-NVXWUHKLSA-N -1 0 333.403 3.630 20 0 EHADRM C[C@H](C(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-])c1ccccc1F ZINC000825977211 601084166 /nfs/dbraw/zinc/08/41/66/601084166.db2.gz ARZAXNGHFDDMTR-JOQOYGCGSA-N -1 0 347.430 3.811 20 0 EHADRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)c1ccc(Cl)cc1 ZINC000833180790 601084681 /nfs/dbraw/zinc/08/46/81/601084681.db2.gz XBQMKFLURREWFP-GOEBONIOSA-N -1 0 335.831 3.836 20 0 EHADRM Cc1cc(C(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])ccc1F ZINC000832861196 601086193 /nfs/dbraw/zinc/08/61/93/601086193.db2.gz ZAQHJAKNVUAFMC-WBVHZDCISA-N -1 0 333.403 3.630 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)CCc1ccsc1 ZINC000621581737 601086570 /nfs/dbraw/zinc/08/65/70/601086570.db2.gz ZFMRNQMGZLCWEB-CVEARBPZSA-N -1 0 335.469 3.563 20 0 EHADRM Cc1cc(C)cc(C[C@H](C)NC(=O)c2ccccc2NC(=O)[O-])c1 ZINC000738364447 601086791 /nfs/dbraw/zinc/08/67/91/601086791.db2.gz WIXVSBCAPBBVHN-AWEZNQCLSA-N -1 0 326.396 3.754 20 0 EHADRM Cc1ccc(CNC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c(C)c1 ZINC000832934056 601093726 /nfs/dbraw/zinc/09/37/26/601093726.db2.gz MLXUKIKFQZUIAJ-UHFFFAOYSA-N -1 0 340.423 3.987 20 0 EHADRM Cc1noc(C)c1[C@@H](C)NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000327180334 601095399 /nfs/dbraw/zinc/09/53/99/601095399.db2.gz VOGBWJPEFQFDJU-SNVBAGLBSA-N -1 0 345.399 3.536 20 0 EHADRM Cc1csc([C@@H]2CCCN(C(=O)Nc3ccc(C(=O)[O-])cc3)C2)n1 ZINC000738815957 601100336 /nfs/dbraw/zinc/10/03/36/601100336.db2.gz GHZHZOZJRZUHII-CYBMUJFWSA-N -1 0 345.424 3.561 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)Nc2c(F)cc(F)cc2F)cc1 ZINC000833281969 601101051 /nfs/dbraw/zinc/10/10/51/601101051.db2.gz PYNAPWGSTPEIJB-UHFFFAOYSA-N -1 0 339.273 3.516 20 0 EHADRM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000630294417 601107941 /nfs/dbraw/zinc/10/79/41/601107941.db2.gz JJCVFNVLEOXLLJ-JSGCOSHPSA-N -1 0 329.421 3.540 20 0 EHADRM Cc1cccc(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)c1Cl ZINC000832971102 601108439 /nfs/dbraw/zinc/10/84/39/601108439.db2.gz QEESRUVNIRTQCW-UHFFFAOYSA-N -1 0 342.782 3.940 20 0 EHADRM CCN(C(=O)Cc1ccc2ccccc2c1)c1ncc(C(=O)[O-])s1 ZINC000737059405 601112934 /nfs/dbraw/zinc/11/29/34/601112934.db2.gz BKVXKMVVYHZJHV-UHFFFAOYSA-N -1 0 340.404 3.590 20 0 EHADRM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000575323054 601115508 /nfs/dbraw/zinc/11/55/08/601115508.db2.gz CBFFWWVYORDKCK-ZETCQYMHSA-N -1 0 334.319 3.646 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000827586343 601122435 /nfs/dbraw/zinc/12/24/35/601122435.db2.gz KSDDBVHEBYPMBJ-ZBEGNZNMSA-N -1 0 334.318 3.513 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)NC1(CC(=O)[O-])CCC1 ZINC000649540400 601128541 /nfs/dbraw/zinc/12/85/41/601128541.db2.gz VELXYQQMTHWFQG-UHFFFAOYSA-N -1 0 342.848 3.971 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N[C@](C)(CC)CC(=O)[O-] ZINC000829014087 601133541 /nfs/dbraw/zinc/13/35/41/601133541.db2.gz BGFHINWFNFBBGY-DNVCBOLYSA-N -1 0 335.444 3.727 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)c(F)cc1F ZINC000325949055 601137558 /nfs/dbraw/zinc/13/75/58/601137558.db2.gz CURABTBMDXPDAD-INIZCTEOSA-N -1 0 333.334 3.609 20 0 EHADRM Cc1ccc(NC(=O)N2CC[C@H](c3cccc(F)c3)C2)cc1C(=O)[O-] ZINC000832946713 601139204 /nfs/dbraw/zinc/13/92/04/601139204.db2.gz ZPXWOGZMOGKOGI-AWEZNQCLSA-N -1 0 342.370 3.854 20 0 EHADRM Cc1ccc(NC(=O)N2CCc3c(Cl)cccc3C2)cc1C(=O)[O-] ZINC000832945203 601140434 /nfs/dbraw/zinc/14/04/34/601140434.db2.gz DSRRWSXVJPLHIY-UHFFFAOYSA-N -1 0 344.798 3.937 20 0 EHADRM O=C([O-])CN(C(=O)c1csc2ccccc12)c1cccc(F)c1 ZINC000833248478 601145573 /nfs/dbraw/zinc/14/55/73/601145573.db2.gz YAQULROHTKATGJ-UHFFFAOYSA-N -1 0 329.352 3.772 20 0 EHADRM Cc1ccc(CCCC(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)s1 ZINC000832930955 601158827 /nfs/dbraw/zinc/15/88/27/601158827.db2.gz WFWNVNWUUZMVLD-CQSZACIVSA-N -1 0 343.448 3.984 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)OCc2cccc(OC(F)(F)F)c2)C1 ZINC000833189282 601160656 /nfs/dbraw/zinc/16/06/56/601160656.db2.gz RBYZYCJTFGCWKF-NWDGAFQWSA-N -1 0 346.301 3.519 20 0 EHADRM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000828311115 601161147 /nfs/dbraw/zinc/16/11/47/601161147.db2.gz ULBYKQXXNRASIO-PIGZYNQJSA-N -1 0 342.370 3.969 20 0 EHADRM Cc1c(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cnc2ccccc12 ZINC000431667391 601165708 /nfs/dbraw/zinc/16/57/08/601165708.db2.gz YQMMCDRRHHDFJY-IFXJQAMLSA-N -1 0 348.402 3.735 20 0 EHADRM C/C(=C\CN1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1)C(=O)[O-] ZINC000825746351 601165826 /nfs/dbraw/zinc/16/58/26/601165826.db2.gz HCFLBCYMLJEKPL-NILIKEIBSA-N -1 0 348.201 3.537 20 0 EHADRM COc1ccc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c(Cl)c1 ZINC000832169716 601169920 /nfs/dbraw/zinc/16/99/20/601169920.db2.gz DVCQPBAXSJOICJ-BDJLRTHQSA-N -1 0 347.798 3.540 20 0 EHADRM C[C@H]1Sc2ccccc2N(C(=O)c2cccc(C(=O)[O-])c2)[C@@H]1C ZINC000828520785 601173902 /nfs/dbraw/zinc/17/39/02/601173902.db2.gz BEOVDGDGXBXOIC-VXGBXAGGSA-N -1 0 327.405 3.914 20 0 EHADRM Cc1oc(-c2ccsc2)nc1COC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833024788 601180625 /nfs/dbraw/zinc/18/06/25/601180625.db2.gz PBXAEKPNJHSEMV-NEPJUHHUSA-N -1 0 349.408 3.646 20 0 EHADRM CN(Cc1ccc(NC(=O)c2scnc2C(C)(C)C)cc1)C(=O)[O-] ZINC000830835624 601182165 /nfs/dbraw/zinc/18/21/65/601182165.db2.gz IETIYDIGBUYSJH-UHFFFAOYSA-N -1 0 347.440 3.803 20 0 EHADRM O=C([O-])CC1(NC(=O)CCCCC(=O)c2ccccc2)CCCCC1 ZINC000663123720 601185497 /nfs/dbraw/zinc/18/54/97/601185497.db2.gz QIFOJMBTPNNTBL-UHFFFAOYSA-N -1 0 345.439 3.724 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N1CCSC2(CCCCC2)C1 ZINC000833289619 601209482 /nfs/dbraw/zinc/20/94/82/601209482.db2.gz OPDRYMHBXFQJSQ-UHFFFAOYSA-N -1 0 334.441 3.668 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)N1CCC(C(=O)[O-])CC1)C(C)(C)C ZINC000263304447 601213509 /nfs/dbraw/zinc/21/35/09/601213509.db2.gz XMNYPVFNKWTHJU-INIZCTEOSA-N -1 0 332.444 3.588 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)NC1CCN(C(=O)[O-])CC1)C(C)(C)C ZINC000832981456 601213593 /nfs/dbraw/zinc/21/35/93/601213593.db2.gz IBDFFGDVYNSOKB-MRXNPFEDSA-N -1 0 347.459 3.524 20 0 EHADRM Cc1nc(Cl)sc1C(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000833000605 601226264 /nfs/dbraw/zinc/22/62/64/601226264.db2.gz MJCXPRQSJVWRPW-UHFFFAOYSA-N -1 0 330.818 3.734 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)OCCCc2nc3ccccc3s2)C1 ZINC000833189542 601238051 /nfs/dbraw/zinc/23/80/51/601238051.db2.gz STEUAQGZKMCXQU-CHWSQXEVSA-N -1 0 347.436 3.663 20 0 EHADRM COc1ccc(Cl)cc1CNc1cc(C(=O)[O-])c(F)cc1F ZINC000314516020 601246769 /nfs/dbraw/zinc/24/67/69/601246769.db2.gz XCKBAJOJFSSTML-UHFFFAOYSA-N -1 0 327.714 3.937 20 0 EHADRM O=C([O-])c1ccc(OC(=O)c2occc2Br)c(Cl)c1 ZINC000833322058 601251370 /nfs/dbraw/zinc/25/13/70/601251370.db2.gz UTLKPOFVXICTRB-UHFFFAOYSA-N -1 0 345.532 3.613 20 0 EHADRM O=C([O-])c1sc(N2CCC(c3ccc(O)cc3)CC2)nc1Cl ZINC000833346194 601251844 /nfs/dbraw/zinc/25/18/44/601251844.db2.gz JSSKISBDBGACEO-UHFFFAOYSA-N -1 0 338.816 3.584 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)c1occc1Br ZINC000696506835 601254581 /nfs/dbraw/zinc/25/45/81/601254581.db2.gz MCLBVDSWMLVEAI-UHFFFAOYSA-N -1 0 344.548 3.646 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C/C=C\c1ccc(F)cc1)c1ccccc1 ZINC000362420626 601273380 /nfs/dbraw/zinc/27/33/80/601273380.db2.gz RDIKIHFZVNBJGK-CHYADLBTSA-N -1 0 327.355 3.561 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)c2c(Cl)cccc2Cl)c1 ZINC000237981013 601274944 /nfs/dbraw/zinc/27/49/44/601274944.db2.gz YHPHPWGGHMHVNC-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM CCC1CCC(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)(C(=O)[O-])CC1 ZINC000325218837 601276866 /nfs/dbraw/zinc/27/68/66/601276866.db2.gz APUHBXPWKSWVBS-LGESCRJUSA-N -1 0 349.393 3.895 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000128680475 601277340 /nfs/dbraw/zinc/27/73/40/601277340.db2.gz FWLQHOJTKXTBDN-MRXNPFEDSA-N -1 0 327.380 3.798 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)C/C=C\c1cccc(F)c1 ZINC000831912702 601277587 /nfs/dbraw/zinc/27/75/87/601277587.db2.gz CUBOOXYAAVOWKV-HYXAFXHYSA-N -1 0 330.311 3.541 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000776630460 601278276 /nfs/dbraw/zinc/27/82/76/601278276.db2.gz KYMBZJXMJPWUJO-OAHLLOKOSA-N -1 0 331.343 3.628 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000829014061 601280131 /nfs/dbraw/zinc/28/01/31/601280131.db2.gz ANRSHSXNEFJGCA-OAHLLOKOSA-N -1 0 328.368 3.881 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000829015120 601280210 /nfs/dbraw/zinc/28/02/10/601280210.db2.gz XWHFPKINGHFBJT-OAHLLOKOSA-N -1 0 328.368 3.881 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cscc2C)cc1 ZINC000237355469 601282844 /nfs/dbraw/zinc/28/28/44/601282844.db2.gz WWBZOAWDMKGOCF-CQSZACIVSA-N -1 0 335.450 3.724 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 ZINC000826800334 601290304 /nfs/dbraw/zinc/29/03/04/601290304.db2.gz KVLHPQLHCXQACU-AWEZNQCLSA-N -1 0 334.416 3.536 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2ccnc(C(=O)[O-])c2)C(C)(C)C)c1 ZINC000832965746 601293970 /nfs/dbraw/zinc/29/39/70/601293970.db2.gz WJYGIWMYOMOPFR-MRXNPFEDSA-N -1 0 326.396 3.605 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)CCSc1ccccc1)c1ccccc1 ZINC000262522588 601297807 /nfs/dbraw/zinc/29/78/07/601297807.db2.gz QZIOPWRFFJVENO-KDOFPFPSSA-N -1 0 343.448 3.747 20 0 EHADRM O=C([O-])Nc1cc(NCC(=O)N2CCC[C@@H]3CCCC[C@@H]32)ccc1F ZINC000833282428 601301663 /nfs/dbraw/zinc/30/16/63/601301663.db2.gz GVSQWVVDQGSPMO-LRDDRELGSA-N -1 0 349.406 3.509 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(Oc2cccnc2)cc1 ZINC000262944156 601306171 /nfs/dbraw/zinc/30/61/71/601306171.db2.gz LTNYDWDIUNJYGW-UHFFFAOYSA-N -1 0 342.395 3.637 20 0 EHADRM CCc1ccc(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000830253742 601308771 /nfs/dbraw/zinc/30/87/71/601308771.db2.gz LSOZVBFVYBYCKK-INIZCTEOSA-N -1 0 330.359 3.726 20 0 EHADRM Cn1cc(NC(=O)c2ccccc2Cc2ccccc2)cc1C(=O)[O-] ZINC000833051293 601315380 /nfs/dbraw/zinc/31/53/80/601315380.db2.gz RZCYMJWQICQKBS-UHFFFAOYSA-N -1 0 334.375 3.566 20 0 EHADRM C[C@@H](C(=O)Nc1cc(C(=O)[O-])n(C)c1)c1c(Cl)cccc1Cl ZINC000826014809 601317973 /nfs/dbraw/zinc/31/79/73/601317973.db2.gz WFORIMUIXHAIPZ-MRVPVSSYSA-N -1 0 341.194 3.772 20 0 EHADRM CC(C)Cn1cc(C(=O)Nc2cc(C(=O)[O-])n(C)c2)c2ccccc21 ZINC000826917698 601320609 /nfs/dbraw/zinc/32/06/09/601320609.db2.gz IACGNRBINDLHSB-UHFFFAOYSA-N -1 0 339.395 3.586 20 0 EHADRM C[C@H](OC(=O)c1ccc(NC(=O)[O-])c(O)c1)c1ncc(C(C)(C)C)o1 ZINC000827862129 601340418 /nfs/dbraw/zinc/34/04/18/601340418.db2.gz VORBZLAIKWBDCS-VIFPVBQESA-N -1 0 348.355 3.686 20 0 EHADRM C[C@@H](SCc1ncc(-c2cccc(Br)c2)o1)C(=O)[O-] ZINC000827908818 601344612 /nfs/dbraw/zinc/34/46/12/601344612.db2.gz NJGSMMOOCCACOM-MRVPVSSYSA-N -1 0 342.214 3.810 20 0 EHADRM CO[C@H](C)c1nc(COc2ccc(Cl)cc2C(=O)[O-])cs1 ZINC000831499202 601351049 /nfs/dbraw/zinc/35/10/49/601351049.db2.gz DIVWOWJDCSKWMW-MRVPVSSYSA-N -1 0 327.789 3.781 20 0 EHADRM CCCCc1ccc(N(C)S(=O)(=O)c2ccccc2C(=O)[O-])cc1 ZINC000829430573 601365695 /nfs/dbraw/zinc/36/56/95/601365695.db2.gz DFBQHPXINKZRSO-UHFFFAOYSA-N -1 0 347.436 3.553 20 0 EHADRM Cc1ccc2cc(-c3nc(COc4cccc(C(=O)[O-])c4)no3)[nH]c2c1 ZINC000832960250 601367195 /nfs/dbraw/zinc/36/71/95/601367195.db2.gz NTTDPZWJSPXORS-UHFFFAOYSA-N -1 0 349.346 3.804 20 0 EHADRM Cc1nc(NC(=O)c2ccc3nc(Cl)ccc3c2)sc1C(=O)[O-] ZINC000833002220 601383247 /nfs/dbraw/zinc/38/32/47/601383247.db2.gz PMGPKWZMSPHHFK-UHFFFAOYSA-N -1 0 347.783 3.604 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CNc1cc(NC(=O)C(C)C)ccc1C ZINC000832943420 601390642 /nfs/dbraw/zinc/39/06/42/601390642.db2.gz YAIQHLCBGPOAPG-UHFFFAOYSA-N -1 0 330.384 3.801 20 0 EHADRM CCOc1cc2c(cc1NCc1cc(C(=O)[O-])oc1C)O[C@H](C)C2 ZINC000830054186 601390938 /nfs/dbraw/zinc/39/09/38/601390938.db2.gz ROYALGYZYNNISV-SNVBAGLBSA-N -1 0 331.368 3.620 20 0 EHADRM COc1ccc([C@H](C)CC(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000237237538 601391490 /nfs/dbraw/zinc/39/14/90/601391490.db2.gz QRSOSWINWOIMBV-RDTXWAMCSA-N -1 0 341.407 3.521 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cc2cc(F)ccc2o1)c1ccccc1 ZINC000237534253 601393064 /nfs/dbraw/zinc/39/30/64/601393064.db2.gz WHYDKZFXRLPTTN-APPDUMDISA-N -1 0 341.338 3.764 20 0 EHADRM C[C@H](CC(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-])c1ccccc1 ZINC000237377111 601394200 /nfs/dbraw/zinc/39/42/00/601394200.db2.gz SXQIWVMLBWGPCC-CLCXKQKWSA-N -1 0 325.408 3.758 20 0 EHADRM O=C([O-])CC1(NC(=S)Nc2ccc(Cl)c(Cl)c2)CCC1 ZINC000833206274 601394265 /nfs/dbraw/zinc/39/42/65/601394265.db2.gz ZVNJWCCCPVOMDC-UHFFFAOYSA-N -1 0 333.240 3.677 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CSc1nncn1-c1ccccc1F ZINC000830397995 601395262 /nfs/dbraw/zinc/39/52/62/601395262.db2.gz ANRGVFWTKXZPCU-UHFFFAOYSA-N -1 0 347.371 3.552 20 0 EHADRM C/C(=C/C(=O)N[C@H](C(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC000236662464 601397595 /nfs/dbraw/zinc/39/75/95/601397595.db2.gz YZPPJSGJCQVXOK-LUJNMSEFSA-N -1 0 329.783 3.685 20 0 EHADRM O=C([O-])[C@H](NC(=O)CC1CCCCCC1)c1cc(F)ccc1F ZINC000776618243 601398998 /nfs/dbraw/zinc/39/89/98/601398998.db2.gz YCRKPVFVVLIOCE-MRXNPFEDSA-N -1 0 325.355 3.567 20 0 EHADRM C/C(=C/C(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1cccc(Cl)c1 ZINC000825716471 601402748 /nfs/dbraw/zinc/40/27/48/601402748.db2.gz HCHDBMBRSGWIAT-GHXNOFRVSA-N -1 0 341.794 3.984 20 0 EHADRM COC(=O)c1ccc2nc(SCc3cc(C)c(C(=O)[O-])o3)oc2c1 ZINC000831448765 601408524 /nfs/dbraw/zinc/40/85/24/601408524.db2.gz HHDYJVZRWSYUCF-UHFFFAOYSA-N -1 0 347.348 3.506 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000830362474 601422393 /nfs/dbraw/zinc/42/23/93/601422393.db2.gz AFUDSIQHONJMCW-BBRMVZONSA-N -1 0 329.396 3.502 20 0 EHADRM Cc1nc(C)c(C(=O)O[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)o1 ZINC000832994164 601430140 /nfs/dbraw/zinc/43/01/40/601430140.db2.gz FKGRRESSYHXGIZ-GFCCVEGCSA-N -1 0 344.150 3.581 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Oc2c(OC)cccc2C(=O)[O-])cc1 ZINC000832220889 601447377 /nfs/dbraw/zinc/44/73/77/601447377.db2.gz KMBPAUXYWMINAK-LBPRGKRZSA-N -1 0 344.363 3.501 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)[C@H]1SCCc2ccccc21 ZINC000830384152 601467430 /nfs/dbraw/zinc/46/74/30/601467430.db2.gz IZWKCLPWYFDHQX-INIZCTEOSA-N -1 0 346.404 3.614 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000829015138 601469142 /nfs/dbraw/zinc/46/91/42/601469142.db2.gz ZOCSJMKCULAOOY-JSGCOSHPSA-N -1 0 332.352 3.748 20 0 EHADRM O=C([O-])[C@@H](OC(=O)C/C=C\c1cccc(F)c1)c1ccc(F)cc1 ZINC000833096433 601472321 /nfs/dbraw/zinc/47/23/21/601472321.db2.gz PTEGJQFAYMITNV-MMTGSJLXSA-N -1 0 332.302 3.737 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)C[C@@H]1CCCc2ccccc21 ZINC000362663973 601472430 /nfs/dbraw/zinc/47/24/30/601472430.db2.gz LMSZTRUUTZLGGW-LAUBAEHRSA-N -1 0 349.430 3.707 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000825798736 601472765 /nfs/dbraw/zinc/47/27/65/601472765.db2.gz VVEVSMYCNBPEMG-BLIJAFNYSA-N -1 0 332.302 3.737 20 0 EHADRM Cc1ccc(/C=C\CC(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000832927790 601499326 /nfs/dbraw/zinc/49/93/26/601499326.db2.gz KUPYYWPHBVDTIY-NSRYLSIASA-N -1 0 329.421 3.792 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000826807506 601506866 /nfs/dbraw/zinc/50/68/66/601506866.db2.gz OJTKJHHDIQHOET-ZDUSSCGKSA-N -1 0 346.349 3.802 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])C2CC2)c(C)n1C1CCCCC1 ZINC000767073437 601532672 /nfs/dbraw/zinc/53/26/72/601532672.db2.gz JOLQKQBYRYJBJV-KRWDZBQOSA-N -1 0 332.444 3.593 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)s1)C1CC1 ZINC000767074696 601532770 /nfs/dbraw/zinc/53/27/70/601532770.db2.gz QJRKQZIMDBLMCC-ZDUSSCGKSA-N -1 0 333.384 3.537 20 0 EHADRM C[C@H](Sc1ccccn1)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000827922411 601572190 /nfs/dbraw/zinc/57/21/90/601572190.db2.gz QFJARLPXRFWPTA-VIFPVBQESA-N -1 0 336.800 3.553 20 0 EHADRM Cc1cc2nc(NC(=O)c3cccc(NC(=O)[O-])c3)oc2c(C)c1 ZINC000832875011 601593262 /nfs/dbraw/zinc/59/32/62/601593262.db2.gz OHGUECWYDOXLCT-UHFFFAOYSA-N -1 0 325.324 3.787 20 0 EHADRM O=C([O-])C1(CNC(=O)C2(c3cccc(Cl)c3)CCC2)CCCC1 ZINC000321636391 601600312 /nfs/dbraw/zinc/60/03/12/601600312.db2.gz XTVLOOIVLVYFJX-UHFFFAOYSA-N -1 0 335.831 3.523 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1ccccc1 ZINC000826039838 601603803 /nfs/dbraw/zinc/60/38/03/601603803.db2.gz ZVSNRLAPJPUWHP-IAQYHMDHSA-N -1 0 332.787 3.924 20 0 EHADRM COC(=O)c1cc(NCc2csc(C(C)(C)C)n2)ccc1C(=O)[O-] ZINC000831323397 601607224 /nfs/dbraw/zinc/60/72/24/601607224.db2.gz ZUFGCAOSJODCNC-UHFFFAOYSA-N -1 0 348.424 3.538 20 0 EHADRM O=C(C=C1CCC1)OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000833092317 601610784 /nfs/dbraw/zinc/61/07/84/601610784.db2.gz CLAHJJPBKNLSRX-UHFFFAOYSA-N -1 0 329.377 3.662 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])c(F)c1)Cc1c(F)cccc1Cl ZINC000830811185 601614151 /nfs/dbraw/zinc/61/41/51/601614151.db2.gz RDGDOMCAZSRREI-UHFFFAOYSA-N -1 0 325.742 3.948 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Nc1c(F)cccc1F)c1ccccc1 ZINC000826039308 601614377 /nfs/dbraw/zinc/61/43/77/601614377.db2.gz QNENHGQPZOAKOM-YGRLFVJLSA-N -1 0 334.322 3.548 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccccc2CC(=O)[O-])o1 ZINC000324484373 601614730 /nfs/dbraw/zinc/61/47/30/601614730.db2.gz HPUZJQBBYNSRIA-WFASDCNBSA-N -1 0 327.380 3.601 20 0 EHADRM Cc1cccc(C)c1NC(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832965586 601615366 /nfs/dbraw/zinc/61/53/66/601615366.db2.gz QQHVBUSTAXSANK-YOEHRIQHSA-N -1 0 326.396 3.887 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000237354001 601615772 /nfs/dbraw/zinc/61/57/72/601615772.db2.gz QSUJARYEVCFCSD-ZDUSSCGKSA-N -1 0 329.371 3.660 20 0 EHADRM C[C@H](CC(=O)N1CCCC[C@@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000136531936 601627645 /nfs/dbraw/zinc/62/76/45/601627645.db2.gz PYPPIVAHMUQLRA-BXUZGUMPSA-N -1 0 343.345 3.665 20 0 EHADRM C/C(=C\C(=O)N1CCCC[C@@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000776601565 601627781 /nfs/dbraw/zinc/62/77/81/601627781.db2.gz MROJJBXRIDHBKI-PLSXKVAHSA-N -1 0 341.329 3.574 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCCCC[C@H]2[C@@H]2CCCCC2=O)c1 ZINC000821547500 601629949 /nfs/dbraw/zinc/62/99/49/601629949.db2.gz WZCMRTAKVXDOOV-IRXDYDNUSA-N -1 0 343.423 3.529 20 0 EHADRM CCN(CC)C(=O)c1cccc(OCc2cc(C(=O)[O-])sc2C)c1 ZINC000829658637 601637466 /nfs/dbraw/zinc/63/74/66/601637466.db2.gz KZXNFYJIFWHLDQ-UHFFFAOYSA-N -1 0 347.436 3.816 20 0 EHADRM CCCCC[C@@H](NC(=O)/C=C/c1cnc(C(C)(C)C)s1)C(=O)[O-] ZINC000236834345 601642866 /nfs/dbraw/zinc/64/28/66/601642866.db2.gz QBPPVVCASKVYCV-WTNCMQEWSA-N -1 0 338.473 3.604 20 0 EHADRM Cc1ccc2c(c1)sc(C(=O)N1CC[C@](F)(C(=O)[O-])C1)c2Cl ZINC000832961624 601651192 /nfs/dbraw/zinc/65/11/92/601651192.db2.gz HXHJEPGOHSAWQF-OAHLLOKOSA-N -1 0 341.791 3.502 20 0 EHADRM CC[C@H](C)c1ccc(C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)cc1 ZINC000828764965 601651505 /nfs/dbraw/zinc/65/15/05/601651505.db2.gz ROSYMFZSBVUGBW-SCLBCKFNSA-N -1 0 339.391 3.693 20 0 EHADRM CC[C@@H](C)c1ccc(C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)cc1 ZINC000828764963 601651641 /nfs/dbraw/zinc/65/16/41/601651641.db2.gz ROSYMFZSBVUGBW-ACJLOTCBSA-N -1 0 339.391 3.693 20 0 EHADRM COc1ccc(-c2ccccc2)cc1CNCc1ccc(C(=O)[O-])o1 ZINC000756284775 601659752 /nfs/dbraw/zinc/65/97/52/601659752.db2.gz FENFBVFYDDMYCV-UHFFFAOYSA-N -1 0 337.375 3.943 20 0 EHADRM O=C([O-])COc1cccc(C(=O)N(CC2CCC2)c2ccccc2)c1 ZINC000262060224 601665384 /nfs/dbraw/zinc/66/53/84/601665384.db2.gz CZXDFKKQYVXFNB-UHFFFAOYSA-N -1 0 339.391 3.597 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)c1cc(-c2ccc(F)cc2)c(C)s1 ZINC000236942185 601670352 /nfs/dbraw/zinc/67/03/52/601670352.db2.gz DYELSACXMCQZHX-UHFFFAOYSA-N -1 0 335.400 3.799 20 0 EHADRM CCC1(C(=O)Nc2nc3nc(C)cc(C(=O)[O-])c3s2)CCCC1 ZINC000829039590 601670918 /nfs/dbraw/zinc/67/09/18/601670918.db2.gz ZRPWWJKYVXKMTI-UHFFFAOYSA-N -1 0 333.413 3.607 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)c(F)c1 ZINC000479495374 601674691 /nfs/dbraw/zinc/67/46/91/601674691.db2.gz GNICMEOWNBHBSY-UHFFFAOYSA-N -1 0 345.223 3.934 20 0 EHADRM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)NCC(C)(C)C(=O)[O-] ZINC000827928315 601681701 /nfs/dbraw/zinc/68/17/01/601681701.db2.gz GCPCLXLHEDRJLF-SECBINFHSA-N -1 0 347.242 3.807 20 0 EHADRM C[C@H]1CN(C(=O)c2cc3sc4ccccc4c3s2)C[C@@H]1C(=O)[O-] ZINC000828394007 601694731 /nfs/dbraw/zinc/69/47/31/601694731.db2.gz NEOBAUDXOFNNNF-ONGXEEELSA-N -1 0 345.445 3.909 20 0 EHADRM Cc1cc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)c(C)n1C(C)C ZINC000263154612 601698367 /nfs/dbraw/zinc/69/83/67/601698367.db2.gz MULKAMHVDJPUKE-INIZCTEOSA-N -1 0 348.830 3.895 20 0 EHADRM C[C@H]1CN(C(=O)CC2CCC(c3ccccc3)CC2)C[C@H]1C(=O)[O-] ZINC000828334673 601702355 /nfs/dbraw/zinc/70/23/55/601702355.db2.gz PFUHSVQODYXGHP-HRSCSKTISA-N -1 0 329.440 3.530 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)NCC1(C(=O)[O-])CCCC1 ZINC000832777528 601702967 /nfs/dbraw/zinc/70/29/67/601702967.db2.gz PZTBUGYHQGICNK-UHFFFAOYSA-N -1 0 342.848 3.828 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)Cc1cccc(OC(C)C)c1 ZINC000833031402 601726172 /nfs/dbraw/zinc/72/61/72/601726172.db2.gz KIQJOKWHOHLXFI-UHFFFAOYSA-N -1 0 348.420 3.828 20 0 EHADRM CSc1ccsc1C(=O)OCc1cc(C(=O)[O-])sc1C ZINC000832789720 601727941 /nfs/dbraw/zinc/72/79/41/601727941.db2.gz DYQQFRKBRCHWBA-UHFFFAOYSA-N -1 0 328.436 3.895 20 0 EHADRM CC[C@@H](Nc1ccccc1)C(=O)OCc1cc(C(=O)[O-])sc1C ZINC000828999145 601728447 /nfs/dbraw/zinc/72/84/47/601728447.db2.gz RPNWDYSWDBODCK-CQSZACIVSA-N -1 0 333.409 3.689 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2c(cccc2F)s1)c1ccccc1F ZINC000776665440 601738241 /nfs/dbraw/zinc/73/82/41/601738241.db2.gz BYNMWLLXRYZMLJ-HNNXBMFYSA-N -1 0 347.342 3.735 20 0 EHADRM CCc1ccc(CCC(=O)Nc2nc(CCCC(=O)[O-])cs2)cc1 ZINC000325249215 601742999 /nfs/dbraw/zinc/74/29/99/601742999.db2.gz XXVKTZUERQARTM-UHFFFAOYSA-N -1 0 346.452 3.684 20 0 EHADRM CSc1ccc(C(=O)Nc2nc(CCCC(=O)[O-])cs2)cc1 ZINC000316309841 601744358 /nfs/dbraw/zinc/74/43/58/601744358.db2.gz LQFPLJJVUSYSKC-UHFFFAOYSA-N -1 0 336.438 3.525 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1csc2ccccc12)c1ccccc1F ZINC000678984786 601745288 /nfs/dbraw/zinc/74/52/88/601745288.db2.gz FRJAJUMNZSQRON-OAHLLOKOSA-N -1 0 329.352 3.596 20 0 EHADRM O=C([O-])CCCc1csc(NC(=O)/C=C\Sc2ccccc2)n1 ZINC000833229305 601746998 /nfs/dbraw/zinc/74/69/98/601746998.db2.gz YJPJPIOMKOPRIH-KTKRTIGZSA-N -1 0 348.449 3.795 20 0 EHADRM O=C([O-])CCCc1csc(NC(=O)c2c(F)cccc2Cl)n1 ZINC000387890845 601747396 /nfs/dbraw/zinc/74/73/96/601747396.db2.gz PGXICTGELONSOG-UHFFFAOYSA-N -1 0 342.779 3.595 20 0 EHADRM CC(C)(CC(=O)Nc1nc(CCCC(=O)[O-])cs1)c1ccccc1 ZINC000826533297 601747898 /nfs/dbraw/zinc/74/78/98/601747898.db2.gz IXPMJEYKWFUEBS-UHFFFAOYSA-N -1 0 346.452 3.857 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(SC(F)F)cc1)C1CCCCC1 ZINC000833124289 601753542 /nfs/dbraw/zinc/75/35/42/601753542.db2.gz WWBSDLJONUNKLL-ZDUSSCGKSA-N -1 0 343.395 3.765 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc(F)c(Cl)cc1Cl)C1CCCCC1 ZINC000315138104 601753631 /nfs/dbraw/zinc/75/36/31/601753631.db2.gz WAHNYAKDLVNMIN-CYBMUJFWSA-N -1 0 348.201 3.896 20 0 EHADRM CC(C)(CNC(=O)Nc1cccc(COC2CCCCC2)c1)C(=O)[O-] ZINC000826589988 601753749 /nfs/dbraw/zinc/75/37/49/601753749.db2.gz BITIONCDODJBNU-UHFFFAOYSA-N -1 0 348.443 3.768 20 0 EHADRM CC[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000829118252 601755542 /nfs/dbraw/zinc/75/55/42/601755542.db2.gz FVINAULETZIFCN-HIFRSBDPSA-N -1 0 336.457 3.705 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000830250162 601772928 /nfs/dbraw/zinc/77/29/28/601772928.db2.gz UUIHEOSGFXODKW-MFKMUULPSA-N -1 0 338.835 3.649 20 0 EHADRM C[C@]1(c2ccccc2)CCN(C(=O)Nc2ccc(CC(=O)[O-])cc2)C1 ZINC000828127317 601786850 /nfs/dbraw/zinc/78/68/50/601786850.db2.gz AUVMXCLUHBBEFQ-FQEVSTJZSA-N -1 0 338.407 3.509 20 0 EHADRM CC(C)[C@H]1CCN(C(=O)Nc2cccc(CSCC(=O)[O-])c2)C1 ZINC000826735957 601791659 /nfs/dbraw/zinc/79/16/59/601791659.db2.gz KNMLLOQKTONPEN-AWEZNQCLSA-N -1 0 336.457 3.514 20 0 EHADRM COc1cccc([C@H](C)CC(=O)N[C@H](CC(=O)[O-])c2ccccc2)c1 ZINC000237324905 601799748 /nfs/dbraw/zinc/79/97/48/601799748.db2.gz VWZXFGOJGQXLCC-RDTXWAMCSA-N -1 0 341.407 3.521 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC000776630567 601800833 /nfs/dbraw/zinc/80/08/33/601800833.db2.gz MFZYXUQYGHIUSW-NSHDSACASA-N -1 0 331.343 3.665 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2cc3cccc(Cl)c3o2)cc1 ZINC000833257926 601802039 /nfs/dbraw/zinc/80/20/39/601802039.db2.gz CHGWJYBPLDYXLF-UHFFFAOYSA-N -1 0 345.738 3.802 20 0 EHADRM C[C@H](CN(C(=O)[C@H](C)c1ccc2ccccc2c1)C1CC1)C(=O)[O-] ZINC000827432468 601802712 /nfs/dbraw/zinc/80/27/12/601802712.db2.gz MXJUNOILDLALQI-ZIAGYGMSSA-N -1 0 325.408 3.655 20 0 EHADRM O=C([O-])c1cccc(NCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000833110302 601803341 /nfs/dbraw/zinc/80/33/41/601803341.db2.gz HCRCDJLSIOJBGU-UHFFFAOYSA-N -1 0 339.178 3.742 20 0 EHADRM COc1ccc(-c2nc(SCc3ccsc3C(=O)[O-])n[nH]2)cc1 ZINC000832133858 601807204 /nfs/dbraw/zinc/80/72/04/601807204.db2.gz CMVZPRKZWFQPQN-UHFFFAOYSA-N -1 0 347.421 3.532 20 0 EHADRM O=C([O-])c1c(C2CC2)csc1NC(=O)c1ccc2c(c1)COC2 ZINC000833162429 601808351 /nfs/dbraw/zinc/80/83/51/601808351.db2.gz LKWWPNZCMIKWJM-UHFFFAOYSA-N -1 0 329.377 3.606 20 0 EHADRM O=C([O-])c1c(C2CC2)csc1NC(=O)CSCc1ccccn1 ZINC000833116250 601808416 /nfs/dbraw/zinc/80/84/16/601808416.db2.gz XONOAKPTNJZKNZ-UHFFFAOYSA-N -1 0 348.449 3.591 20 0 EHADRM C[C@@H](Oc1ccccc1)C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000827896659 601808611 /nfs/dbraw/zinc/80/86/11/601808611.db2.gz VYXNGNAXIBIWKA-SNVBAGLBSA-N -1 0 331.393 3.730 20 0 EHADRM Cc1ccc(C=Cc2nc(SCc3ccsc3C(=O)[O-])n[nH]2)o1 ZINC000832927738 601809005 /nfs/dbraw/zinc/80/90/05/601809005.db2.gz ATNAXXYJUFPWIC-SNAWJCMRSA-N -1 0 347.421 3.929 20 0 EHADRM Cc1noc(C(F)F)c1C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000833019244 601809060 /nfs/dbraw/zinc/80/90/60/601809060.db2.gz HYOAQIRPFFHZMR-UHFFFAOYSA-N -1 0 342.323 3.810 20 0 EHADRM C[C@H]1CCC[C@@H](OCC(=O)Nc2scc(C3CC3)c2C(=O)[O-])C1 ZINC000828245504 601809829 /nfs/dbraw/zinc/80/98/29/601809829.db2.gz LCYHBIVXGDPBAX-CMPLNLGQSA-N -1 0 337.441 3.858 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@]3(CCCc4ccccc43)C2)cc1 ZINC000833310041 601813405 /nfs/dbraw/zinc/81/34/05/601813405.db2.gz RRGZSCFNDCXGGX-JOCHJYFZSA-N -1 0 349.430 3.895 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000826799954 601813982 /nfs/dbraw/zinc/81/39/82/601813982.db2.gz CWJOLECEZMDXQH-CYBMUJFWSA-N -1 0 346.349 3.802 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1cc(F)cc(Cl)c1)c1ccccc1 ZINC000828594629 601815264 /nfs/dbraw/zinc/81/52/64/601815264.db2.gz HXUZRRGSIATBKF-OAHLLOKOSA-N -1 0 335.762 3.989 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000315120882 601817840 /nfs/dbraw/zinc/81/78/40/601817840.db2.gz XGRAFLVBVPZVES-UHFFFAOYSA-N -1 0 344.238 3.639 20 0 EHADRM CCC(CC)(C(=O)N1CCC(CCC(=O)[O-])CC1)c1ccccc1 ZINC000539685527 601817845 /nfs/dbraw/zinc/81/78/45/601817845.db2.gz RWDIBRLTSODGQX-UHFFFAOYSA-N -1 0 331.456 3.848 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)C2(c3cccc(Cl)c3)CCC2)CC1 ZINC000391975965 601820642 /nfs/dbraw/zinc/82/06/42/601820642.db2.gz ACVVDHHIKCSERP-UHFFFAOYSA-N -1 0 349.858 3.865 20 0 EHADRM C[C@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccccc1Cl ZINC000321422541 601823031 /nfs/dbraw/zinc/82/30/31/601823031.db2.gz KQWDIMSBVWWUAG-LBPRGKRZSA-N -1 0 338.835 3.687 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)c1cncc(-c2ccc(Cl)cc2)c1)C(=O)[O-] ZINC000339346404 601846232 /nfs/dbraw/zinc/84/62/32/601846232.db2.gz LHYNWPUGNOXROR-BDJLRTHQSA-N -1 0 346.814 3.631 20 0 EHADRM CN(C)C(=O)c1cccc(CSCc2ccc(C(=O)[O-])s2)c1 ZINC000830575512 601846375 /nfs/dbraw/zinc/84/63/75/601846375.db2.gz UPLCEFUZDINZHS-UHFFFAOYSA-N -1 0 335.450 3.582 20 0 EHADRM C[C@H](NC(=O)NCc1cccc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC000320810957 601848320 /nfs/dbraw/zinc/84/83/20/601848320.db2.gz LMXLLHBONGRPIL-NSHDSACASA-N -1 0 332.787 3.599 20 0 EHADRM CCC[C@](C)(NC(=O)c1cncc(-c2ccc(Cl)cc2)c1)C(=O)[O-] ZINC000829194082 601848387 /nfs/dbraw/zinc/84/83/87/601848387.db2.gz UGRYMVMYXBIPCP-SFHVURJKSA-N -1 0 346.814 3.775 20 0 EHADRM CC(C)[C@@H](NC(=O)NCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000666514270 601848489 /nfs/dbraw/zinc/84/84/89/601848489.db2.gz NUUSNWCAZKHJQQ-QGZVFWFLSA-N -1 0 326.396 3.581 20 0 EHADRM CCc1noc(C)c1COc1ccc(C(=O)[O-])cc1Br ZINC000700776552 601849120 /nfs/dbraw/zinc/84/91/20/601849120.db2.gz VXVRYBHQKTWQMU-UHFFFAOYSA-N -1 0 340.173 3.585 20 0 EHADRM O=C([O-])c1ccc(COc2ccccc2C(=O)N2CCCCC2)s1 ZINC000833315313 601849178 /nfs/dbraw/zinc/84/91/78/601849178.db2.gz RPSCKOKQXJITRZ-UHFFFAOYSA-N -1 0 345.420 3.651 20 0 EHADRM C[C@H](c1ccccc1)n1ccc(N[C@@H](C(=O)[O-])c2ccc(F)cc2)n1 ZINC000827951160 601854456 /nfs/dbraw/zinc/85/44/56/601854456.db2.gz VUUKNDSXDKWLMH-FZKQIMNGSA-N -1 0 339.370 3.869 20 0 EHADRM Cc1cc(F)c(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)cc1F ZINC000181656145 601857374 /nfs/dbraw/zinc/85/73/74/601857374.db2.gz UWPDQXLUIVUJIY-MRXNPFEDSA-N -1 0 333.334 3.609 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC000827586563 601874749 /nfs/dbraw/zinc/87/47/49/601874749.db2.gz PVNVUIUUESILCR-GFCCVEGCSA-N -1 0 348.395 3.787 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)[C@H]2C[C@@H]2Cc2ccccc2)cc1 ZINC000833262076 601875427 /nfs/dbraw/zinc/87/54/27/601875427.db2.gz ATRGLUJCWXQLKQ-YOEHRIQHSA-N -1 0 342.416 3.648 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)c1cnc(-c2ccco2)s1 ZINC000262163669 601901840 /nfs/dbraw/zinc/90/18/40/601901840.db2.gz VODSKLSFEPRPBR-NWDGAFQWSA-N -1 0 348.424 3.557 20 0 EHADRM CC[C@H](NC(=O)[O-])C(=O)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000739524610 601902105 /nfs/dbraw/zinc/90/21/05/601902105.db2.gz NVAITHSMCWDHAK-DLBZAZTESA-N -1 0 326.396 3.550 20 0 EHADRM CC(C)c1ccc(OCCC(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC000236677597 601918544 /nfs/dbraw/zinc/91/85/44/601918544.db2.gz GTHIKLMYQZNSRY-UHFFFAOYSA-N -1 0 341.407 3.594 20 0 EHADRM O=C([O-])NCCc1ccc(CNc2ncccc2C(F)(F)F)cc1 ZINC000740671727 601922360 /nfs/dbraw/zinc/92/23/60/601922360.db2.gz RZYRGKAQTAWFCW-UHFFFAOYSA-N -1 0 339.317 3.523 20 0 EHADRM Cc1ccc(C(C)C)c(OCC(=O)NCc2cccc(C(=O)[O-])c2)c1 ZINC000170506998 601922479 /nfs/dbraw/zinc/92/24/79/601922479.db2.gz NAJMHEMFGBOZOM-UHFFFAOYSA-N -1 0 341.407 3.512 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000238136342 601924339 /nfs/dbraw/zinc/92/43/39/601924339.db2.gz FZBMRFBZRCHFGV-UHFFFAOYSA-N -1 0 338.190 3.551 20 0 EHADRM Cc1cccc(CN(CC(C)C)C(=O)C2CCC(NC(=O)[O-])CC2)c1 ZINC000740168562 601928491 /nfs/dbraw/zinc/92/84/91/601928491.db2.gz CDURXVRYERCDKX-UHFFFAOYSA-N -1 0 346.471 3.806 20 0 EHADRM O=C([O-])c1ccc(CN2CCn3cccc3[C@H]2c2ccccc2)s1 ZINC000833313958 601941753 /nfs/dbraw/zinc/94/17/53/601941753.db2.gz BUFCBHDPABXXJL-GOSISDBHSA-N -1 0 338.432 3.853 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(C)cc(Cl)c2)cc1 ZINC000683295712 601957009 /nfs/dbraw/zinc/95/70/09/601957009.db2.gz CQOZQRBWGYPNDB-INIZCTEOSA-N -1 0 347.798 3.603 20 0 EHADRM Cc1ccc2c(CNc3cccc(CC(=O)[O-])c3)cc(=O)oc2c1C ZINC000738292469 601969254 /nfs/dbraw/zinc/96/92/54/601969254.db2.gz ILFPWRSUUZXWMX-UHFFFAOYSA-N -1 0 337.375 3.649 20 0 EHADRM CCOCCC1(c2nc(-c3cccc(C(=O)[O-])c3)no2)CCCC1 ZINC000829994078 601970054 /nfs/dbraw/zinc/97/00/54/601970054.db2.gz CXUGHVNIJDOBOE-UHFFFAOYSA-N -1 0 330.384 3.673 20 0 EHADRM O=C([O-])[C@@H](Nc1ccc(CCO)cc1)c1cc(Cl)cc(Cl)c1 ZINC000833169542 601975653 /nfs/dbraw/zinc/97/56/53/601975653.db2.gz UEQBUSHMNHJQCR-HNNXBMFYSA-N -1 0 340.206 3.766 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cc(F)c(Cl)cc2Cl)cn1 ZINC000740711983 601996117 /nfs/dbraw/zinc/99/61/17/601996117.db2.gz HSJIUCQWURZURS-UHFFFAOYSA-N -1 0 344.129 3.870 20 0 EHADRM CC[C@H](NC(=O)c1ccc(NC(=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000736917621 601998300 /nfs/dbraw/zinc/99/83/00/601998300.db2.gz UDURMPSBRNTOQL-ZDUSSCGKSA-N -1 0 338.367 3.534 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CCC[C@@H]2C2CC2)cc(C(F)(F)F)c1 ZINC000833281099 601999793 /nfs/dbraw/zinc/99/97/93/601999793.db2.gz FUARNONKODOPFZ-CYBMUJFWSA-N -1 0 342.317 3.810 20 0 EHADRM CN(C(=O)C1CCCCCC1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830464715 602000722 /nfs/dbraw/zinc/00/07/22/602000722.db2.gz LFKPRAAMDYFHIE-HNNXBMFYSA-N -1 0 343.345 3.658 20 0 EHADRM CCOCCC1(C(=O)Nc2ccc(CCC(=O)[O-])cc2)CCCC1 ZINC000237037978 602002141 /nfs/dbraw/zinc/00/21/41/602002141.db2.gz VAAKFFCBKUJYSC-UHFFFAOYSA-N -1 0 333.428 3.629 20 0 EHADRM Cc1ccc(OCCC(=O)OCc2ccc(C(=O)[O-])s2)c(C)c1 ZINC000832951968 602002557 /nfs/dbraw/zinc/00/25/57/602002557.db2.gz ZMQUHZVITYWGJB-UHFFFAOYSA-N -1 0 334.393 3.575 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)s1 ZINC000833315394 602010109 /nfs/dbraw/zinc/01/01/09/602010109.db2.gz QWLJCQGMDVYAPV-ZJUUUORDSA-N -1 0 338.331 3.571 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@@H]2SCCc3sccc32)s1 ZINC000833316236 602011763 /nfs/dbraw/zinc/01/17/63/602011763.db2.gz WIVZKJLDPZJYAR-GFCCVEGCSA-N -1 0 340.447 3.582 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)c2cc(C)cc(Cl)c2)c1OC ZINC000431444519 602017840 /nfs/dbraw/zinc/01/78/40/602017840.db2.gz JAQRXGCBACXTEF-UHFFFAOYSA-N -1 0 349.770 3.616 20 0 EHADRM C[C@H](c1ccccc1)n1ccc(NC(=O)c2ccc(C(=O)[O-])s2)n1 ZINC000827948904 602026252 /nfs/dbraw/zinc/02/62/52/602026252.db2.gz HNAGFPMBKBTUDC-LLVKDONJSA-N -1 0 341.392 3.504 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000191043645 602029240 /nfs/dbraw/zinc/02/92/40/602029240.db2.gz XFMCVCCBNZZDKN-HXUWFJFHSA-N -1 0 337.375 3.831 20 0 EHADRM CCS[C@H]1CC[C@H](N(C)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)C1 ZINC000830148904 602044690 /nfs/dbraw/zinc/04/46/90/602044690.db2.gz AZNIDWNMFOGUQF-KBPBESRZSA-N -1 0 336.457 3.831 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc(OC(F)(F)F)c2)cc1F ZINC000326302741 602048661 /nfs/dbraw/zinc/04/86/61/602048661.db2.gz JGYIMCQIZFUSET-UHFFFAOYSA-N -1 0 343.232 3.675 20 0 EHADRM CSc1ccc(Cl)c(C(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000336853614 602068916 /nfs/dbraw/zinc/06/89/16/602068916.db2.gz ILDOHDUSDCTVBZ-UHFFFAOYSA-N -1 0 335.812 3.941 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000316204622 602069461 /nfs/dbraw/zinc/06/94/61/602069461.db2.gz PWFPDIHMHBIUGA-UHFFFAOYSA-N -1 0 338.190 3.802 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000236901723 602069857 /nfs/dbraw/zinc/06/98/57/602069857.db2.gz MBHZHDCDTATMQU-AWEZNQCLSA-N -1 0 341.407 3.845 20 0 EHADRM CC(C)[C@H]1c2ccccc2CCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000826747843 602080250 /nfs/dbraw/zinc/08/02/50/602080250.db2.gz ROITVEHXIXMCAG-INIZCTEOSA-N -1 0 329.421 3.842 20 0 EHADRM CC(C)SCC(=O)O[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000827072879 602082465 /nfs/dbraw/zinc/08/24/65/602082465.db2.gz LEERKJCFFGNWSU-GFCCVEGCSA-N -1 0 337.224 3.804 20 0 EHADRM Cc1ncsc1C(=O)O[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000833009805 602083632 /nfs/dbraw/zinc/08/36/32/602083632.db2.gz CCPIXWGMZSVDGD-JTQLQIEISA-N -1 0 346.191 3.741 20 0 EHADRM Cc1cccc([C@H](NC(=O)N2CC[C@@](C)(C(=O)[O-])C2)C(C)(C)C)c1 ZINC000263209965 602087104 /nfs/dbraw/zinc/08/71/04/602087104.db2.gz IQCKGIJSQQZUHS-HNAYVOBHSA-N -1 0 332.444 3.588 20 0 EHADRM O=C([O-])[C@H](OC(=O)C[C@@H]1CCCCO1)c1cc(Cl)cc(Cl)c1 ZINC000833094245 602089630 /nfs/dbraw/zinc/08/96/30/602089630.db2.gz SZAGFPYPUGUBPX-GXTWGEPZSA-N -1 0 347.194 3.622 20 0 EHADRM COc1c(C)ccc(NC(=O)Nc2cccc(CC(=O)[O-])c2)c1C ZINC000738071657 602091639 /nfs/dbraw/zinc/09/16/39/602091639.db2.gz RNQZZBGQQJXWTE-UHFFFAOYSA-N -1 0 328.368 3.583 20 0 EHADRM CO[C@H](CNC(=O)c1ccccc1NC(=O)[O-])c1ccccc1Cl ZINC000831519723 602092113 /nfs/dbraw/zinc/09/21/13/602092113.db2.gz QMSLZJULSDSFBJ-OAHLLOKOSA-N -1 0 348.786 3.547 20 0 EHADRM CC(C)Oc1ccc(NC(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000392658569 602092646 /nfs/dbraw/zinc/09/26/46/602092646.db2.gz RNMPOOPRNBYHCI-UHFFFAOYSA-N -1 0 328.368 3.745 20 0 EHADRM CC(C)COc1ccccc1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000565410934 602095581 /nfs/dbraw/zinc/09/55/81/602095581.db2.gz BSYPJRAYTSXEQW-UHFFFAOYSA-N -1 0 342.395 3.993 20 0 EHADRM CC1(C)CN(C(=O)NCCCCCCCC(=O)[O-])c2ccccc21 ZINC000828074318 602096424 /nfs/dbraw/zinc/09/64/24/602096424.db2.gz GMFZTLVRQFVRFP-UHFFFAOYSA-N -1 0 332.444 3.919 20 0 EHADRM CCC[C@](C)(NC(=O)[O-])C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000739289306 602107373 /nfs/dbraw/zinc/10/73/73/602107373.db2.gz LHRWXQHSXDSGMX-BMIGLBTASA-N -1 0 346.349 3.709 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000827873191 602109110 /nfs/dbraw/zinc/10/91/10/602109110.db2.gz DSUQHUQDHYLOIX-SNVBAGLBSA-N -1 0 341.354 3.729 20 0 EHADRM Cc1ccc(NC(=O)[C@H](C)CC(=O)[O-])c(OCc2ccccc2)c1 ZINC000832942385 602110629 /nfs/dbraw/zinc/11/06/29/602110629.db2.gz FCPYZQMEEHTTFN-CQSZACIVSA-N -1 0 327.380 3.623 20 0 EHADRM N#Cc1cc(C(F)(F)F)ccc1N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000326350350 602114939 /nfs/dbraw/zinc/11/49/39/602114939.db2.gz OJOQLLNUMILVCG-UHFFFAOYSA-N -1 0 332.281 3.795 20 0 EHADRM CC(C)c1sc(NC(=O)[C@H](C)CC(=O)[O-])nc1-c1ccccc1 ZINC000827325193 602116490 /nfs/dbraw/zinc/11/64/90/602116490.db2.gz QMGJDURVJIEORO-LLVKDONJSA-N -1 0 332.425 3.983 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N([C@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000827247056 602118782 /nfs/dbraw/zinc/11/87/82/602118782.db2.gz ICEOPIVKMPGOOD-GHMZBOCLSA-N -1 0 343.345 3.868 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000827309713 602119448 /nfs/dbraw/zinc/11/94/48/602119448.db2.gz CITREKRDUWAOHW-JTQLQIEISA-N -1 0 325.792 3.711 20 0 EHADRM Cc1ccccc1-c1nc(COc2ccc(C(=O)[O-])cc2Cl)no1 ZINC000832973817 602122228 /nfs/dbraw/zinc/12/22/28/602122228.db2.gz DMNRCGHZUBAADR-UHFFFAOYSA-N -1 0 344.754 3.976 20 0 EHADRM Cc1cccc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)c1F ZINC000832963490 602132110 /nfs/dbraw/zinc/13/21/10/602132110.db2.gz UMQWYJYMPJMATP-UHFFFAOYSA-N -1 0 331.343 3.872 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000827873878 602132807 /nfs/dbraw/zinc/13/28/07/602132807.db2.gz RXFIPVGDRSDPSE-CQSZACIVSA-N -1 0 349.427 3.607 20 0 EHADRM Cc1ccc(Br)c(C(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC000832910505 602137158 /nfs/dbraw/zinc/13/71/58/602137158.db2.gz OAOXOCLLBUMWIT-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM COc1cc(OC)cc([C@H](Nc2ccc(OC(C)C)cc2)C(=O)[O-])c1 ZINC000832067814 602167786 /nfs/dbraw/zinc/16/77/86/602167786.db2.gz RUCSGBYTFXCJCA-SFHVURJKSA-N -1 0 345.395 3.729 20 0 EHADRM Cc1nc(Cc2ccccc2)sc1[C@@H](C)OC(=O)[C@@H](C)CC(=O)[O-] ZINC000833000221 602194935 /nfs/dbraw/zinc/19/49/35/602194935.db2.gz DTVUGZQORCZNSI-WCQYABFASA-N -1 0 347.436 3.757 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)c1 ZINC000740674236 602199423 /nfs/dbraw/zinc/19/94/23/602199423.db2.gz OHCOEWJOOGAGNH-CVEARBPZSA-N -1 0 344.798 3.850 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)c1 ZINC000740674238 602199534 /nfs/dbraw/zinc/19/95/34/602199534.db2.gz OHCOEWJOOGAGNH-HZPDHXFCSA-N -1 0 344.798 3.850 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)Cc2cccc3ccccc32)c1 ZINC000740675764 602202679 /nfs/dbraw/zinc/20/26/79/602202679.db2.gz HXBDYLDYPGJWMY-UHFFFAOYSA-N -1 0 334.375 3.789 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)N2CCCCCC2)c2ccccc12 ZINC000833257302 602228256 /nfs/dbraw/zinc/22/82/56/602228256.db2.gz WYSKAUBGGLOXKH-UHFFFAOYSA-N -1 0 342.395 3.711 20 0 EHADRM Cc1cc(F)ccc1NC(=O)c1cccn1C1CCN(C(=O)[O-])CC1 ZINC000740076718 602229730 /nfs/dbraw/zinc/22/97/30/602229730.db2.gz CAWXJUGPCAPGCV-UHFFFAOYSA-N -1 0 345.374 3.503 20 0 EHADRM CCc1ccc([C@H](C)NC(=O)c2ccc(CNC(=O)[O-])cc2)cc1 ZINC000739542105 602259545 /nfs/dbraw/zinc/25/95/45/602259545.db2.gz HWLZAPJBTVHDKJ-ZDUSSCGKSA-N -1 0 326.396 3.508 20 0 EHADRM COc1cc(NC(=O)N(C)Cc2ccc(C)s2)ccc1NC(=O)[O-] ZINC000739866895 602259589 /nfs/dbraw/zinc/25/95/89/602259589.db2.gz PTTPPNXIDMJESC-UHFFFAOYSA-N -1 0 349.412 3.819 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)c(C)[nH]1 ZINC000678979237 602259836 /nfs/dbraw/zinc/25/98/36/602259836.db2.gz NTMNBNRPWLHTKB-UHFFFAOYSA-N -1 0 338.363 3.500 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)[C@@H]2Cc3ccccc32)c2ccccc12 ZINC000346028190 602263486 /nfs/dbraw/zinc/26/34/86/602263486.db2.gz PUQYYOHCIMXRMC-QGZVFWFLSA-N -1 0 347.370 3.582 20 0 EHADRM CSc1cc(C(=O)OC/C=C(\C)C(=O)[O-])c(Cl)cc1Cl ZINC000832774410 602265284 /nfs/dbraw/zinc/26/52/84/602265284.db2.gz KDQSMXSBFAUOCC-XVNBXDOJSA-N -1 0 335.208 3.903 20 0 EHADRM O=C([O-])NC1CCC(C(=O)NC2(c3ccc(F)cc3)CCCC2)CC1 ZINC000740553986 602266926 /nfs/dbraw/zinc/26/69/26/602266926.db2.gz TZHMPQGDXOLGTK-UHFFFAOYSA-N -1 0 348.418 3.538 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F ZINC000237282082 602284713 /nfs/dbraw/zinc/28/47/13/602284713.db2.gz QAWKWXSWMQWIMA-XFXZXTDPSA-N -1 0 349.736 3.609 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])c1ccccc1F ZINC000738890364 602289866 /nfs/dbraw/zinc/28/98/66/602289866.db2.gz IGEBFIVDEIIKQQ-LBPRGKRZSA-N -1 0 342.370 3.999 20 0 EHADRM Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)[C@@H](C)NC(=O)[O-] ZINC000740047678 602295649 /nfs/dbraw/zinc/29/56/49/602295649.db2.gz GCQGWXFUEZAGMK-LLVKDONJSA-N -1 0 332.787 3.910 20 0 EHADRM C[C@H](CC(=O)OC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccccc1F ZINC000738891066 602302312 /nfs/dbraw/zinc/30/23/12/602302312.db2.gz MIEDGKFNUZDKRO-HABKJSAYSA-N -1 0 335.375 3.536 20 0 EHADRM O=C([O-])c1ccc(NCc2nnc(-c3ccccc3Cl)o2)cc1F ZINC000833320789 602304026 /nfs/dbraw/zinc/30/40/26/602304026.db2.gz KMMGBRVTKSOEHS-UHFFFAOYSA-N -1 0 347.733 3.839 20 0 EHADRM Cc1ccc(C)c(NC(=O)c2cccn2C2CCN(C(=O)[O-])CC2)c1 ZINC000740116788 602305956 /nfs/dbraw/zinc/30/59/56/602305956.db2.gz XWFLFECFVOBWCJ-UHFFFAOYSA-N -1 0 341.411 3.672 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)ccc1Cl ZINC000832865178 602310870 /nfs/dbraw/zinc/31/08/70/602310870.db2.gz RJHIOMVJRVZHCH-UHFFFAOYSA-N -1 0 333.771 3.754 20 0 EHADRM CCCCc1ccc(NC(=O)N2CCC[C@H](CN(C)C(=O)[O-])C2)cc1 ZINC000739341442 602327910 /nfs/dbraw/zinc/32/79/10/602327910.db2.gz LOFSCUNQUHYEOT-MRXNPFEDSA-N -1 0 347.459 3.883 20 0 EHADRM Cc1cccc(NC(=O)C2(c3ccccc3)CCN(C(=O)[O-])CC2)c1 ZINC000740171027 602329105 /nfs/dbraw/zinc/32/91/05/602329105.db2.gz PTDPRNLLJRSGED-UHFFFAOYSA-N -1 0 338.407 3.645 20 0 EHADRM C[C@@H](NC(=O)[C@@H](NC(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC000739019538 602340763 /nfs/dbraw/zinc/34/07/63/602340763.db2.gz ZRTISVCHAOMRFV-ABAIWWIYSA-N -1 0 332.787 3.526 20 0 EHADRM O=C([O-])c1occc1CN1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000833347013 602342632 /nfs/dbraw/zinc/34/26/32/602342632.db2.gz ZLFYJDYQMVTPDL-CQSZACIVSA-N -1 0 326.352 3.846 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cncc(F)c1)c1ccc(Cl)cc1Cl ZINC000833351771 602345135 /nfs/dbraw/zinc/34/51/35/602345135.db2.gz UCKLMWIYKQTFPN-LBPRGKRZSA-N -1 0 344.125 3.510 20 0 EHADRM Cc1ccc(CC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)c(Cl)c1 ZINC000832928499 602346013 /nfs/dbraw/zinc/34/60/13/602346013.db2.gz FTVKXOIAPZVDSE-UHFFFAOYSA-N -1 0 332.787 3.944 20 0 EHADRM CC(C)c1cccc(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)n1 ZINC000827129238 602349882 /nfs/dbraw/zinc/34/98/82/602349882.db2.gz KTFMJICVNLWADK-UHFFFAOYSA-N -1 0 327.384 3.567 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccc(Cl)s1 ZINC000761749020 602357342 /nfs/dbraw/zinc/35/73/42/602357342.db2.gz PKQPTJXDDDCSAL-SSDOTTSWSA-N -1 0 327.764 3.981 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)cc1F ZINC000833154600 602361807 /nfs/dbraw/zinc/36/18/07/602361807.db2.gz ZPYPXRKCQULOAG-UHFFFAOYSA-N -1 0 345.223 3.934 20 0 EHADRM CC[C@@H](C)N(Cc1ccccc1)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000828753138 602366378 /nfs/dbraw/zinc/36/63/78/602366378.db2.gz GPGSCDHYKMBKSE-CYBMUJFWSA-N -1 0 329.400 3.556 20 0 EHADRM C[C@H](c1cc2ccccc2o1)N(C)C(=O)C1CCC(NC(=O)[O-])CC1 ZINC000739053632 602374196 /nfs/dbraw/zinc/37/41/96/602374196.db2.gz MVZBFPWRWAVGTD-DNOWBOINSA-N -1 0 344.411 3.779 20 0 EHADRM Cc1ccccc1C[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000832981127 602374879 /nfs/dbraw/zinc/37/48/79/602374879.db2.gz ZNCUMSWYZJKUEX-GFCCVEGCSA-N -1 0 330.359 3.585 20 0 EHADRM CCSCC[C@@H](C)N(C)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000830164300 602375799 /nfs/dbraw/zinc/37/57/99/602375799.db2.gz SRRZQNHRQQOIRI-SNVBAGLBSA-N -1 0 328.409 3.519 20 0 EHADRM C[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000827934503 602378427 /nfs/dbraw/zinc/37/84/27/602378427.db2.gz GWKFATUYCISHMF-SNVBAGLBSA-N -1 0 334.322 3.888 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)Nc1cc(C(=O)[O-])n(C)c1)C(C)C ZINC000832982466 602378766 /nfs/dbraw/zinc/37/87/66/602378766.db2.gz TXUMTOIETORWQA-INIZCTEOSA-N -1 0 329.400 3.551 20 0 EHADRM Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000832959091 602380388 /nfs/dbraw/zinc/38/03/88/602380388.db2.gz FKKBUBSCCABISB-MRXNPFEDSA-N -1 0 328.343 3.641 20 0 EHADRM Cc1ccc(C)c([C@@H]2CCCN2C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000180129436 602391908 /nfs/dbraw/zinc/39/19/08/602391908.db2.gz UGTPVOQDGBCJAK-BQFCYCMXSA-N -1 0 329.440 3.858 20 0 EHADRM Cc1c(C(=O)N(CC(=O)[O-])C2CCCC2)oc2c1c(C)ccc2C ZINC000832925518 602399179 /nfs/dbraw/zinc/39/91/79/602399179.db2.gz OOFMKZDPLHUNHT-UHFFFAOYSA-N -1 0 329.396 3.827 20 0 EHADRM O=C([O-])N[C@@H](CCc1nc(-c2cccs2)no1)c1ccccc1 ZINC000740538485 602405569 /nfs/dbraw/zinc/40/55/69/602405569.db2.gz DVZCGAPVEGRXJF-LBPRGKRZSA-N -1 0 329.381 3.740 20 0 EHADRM CC(C)[C@@H](CC(=O)N1CCC([C@H](C)NC(=O)[O-])CC1)c1ccccc1 ZINC000738772239 602406196 /nfs/dbraw/zinc/40/61/96/602406196.db2.gz DLYOUZKSGJBMAN-MAUKXSAKSA-N -1 0 346.471 3.711 20 0 EHADRM O=C([O-])N[C@@H](CCc1nc(Cc2cccs2)no1)c1ccccc1 ZINC000740539412 602406288 /nfs/dbraw/zinc/40/62/88/602406288.db2.gz JHIHYYOWXAYEDR-AWEZNQCLSA-N -1 0 343.408 3.663 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(-c2nccc3ccccc32)n1 ZINC000738816481 602408370 /nfs/dbraw/zinc/40/83/70/602408370.db2.gz KIPLKCJKLWQNOF-ZDUSSCGKSA-N -1 0 326.356 3.640 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(-c2csc(C(C)(C)C)n2)n1 ZINC000738814192 602410703 /nfs/dbraw/zinc/41/07/03/602410703.db2.gz AIUQKGTZERCWLS-SECBINFHSA-N -1 0 338.433 3.845 20 0 EHADRM O=C([O-])NC1(c2noc([C@H]3CCCc4ccccc43)n2)CCCC1 ZINC000740549952 602411789 /nfs/dbraw/zinc/41/17/89/602411789.db2.gz MCFSTIYAOOZGOT-AWEZNQCLSA-N -1 0 327.384 3.575 20 0 EHADRM O=C([O-])N1CCC2(C[C@@H]2c2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000740509180 602419187 /nfs/dbraw/zinc/41/91/87/602419187.db2.gz KTSBZYQCXKVHKQ-GFCCVEGCSA-N -1 0 333.775 3.638 20 0 EHADRM O=C([O-])NCc1cccc(OCc2coc(-c3cccs3)n2)c1 ZINC000740681623 602426050 /nfs/dbraw/zinc/42/60/50/602426050.db2.gz QUJIKPHZLVSBFD-UHFFFAOYSA-N -1 0 330.365 3.750 20 0 EHADRM CCCN(C(=S)Nc1cccc(Cl)c1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739343217 602431893 /nfs/dbraw/zinc/43/18/93/602431893.db2.gz DHPUGFHCNIDSBQ-ZDUSSCGKSA-N -1 0 341.864 3.501 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)Nc1cccc2cccnc21)c1ccccc1 ZINC000740540343 602455347 /nfs/dbraw/zinc/45/53/47/602455347.db2.gz OTMLQBIORBGXDA-MRXNPFEDSA-N -1 0 349.390 3.962 20 0 EHADRM Cc1cccc(CN(C)C(=O)CC[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000740169007 602458500 /nfs/dbraw/zinc/45/85/00/602458500.db2.gz FDOUGGGCTJYEPK-SFHVURJKSA-N -1 0 340.423 3.743 20 0 EHADRM Cc1c(Cl)cccc1NC(=S)N[C@H](CNC(=O)[O-])CC(C)C ZINC000740046722 602459057 /nfs/dbraw/zinc/45/90/57/602459057.db2.gz RTZWJTOBIRGGBD-NSHDSACASA-N -1 0 343.880 3.617 20 0 EHADRM Cc1c(Cl)cccc1NC(=S)N[C@@H](CNC(=O)[O-])CC(C)C ZINC000740046719 602459070 /nfs/dbraw/zinc/45/90/70/602459070.db2.gz RTZWJTOBIRGGBD-LLVKDONJSA-N -1 0 343.880 3.617 20 0 EHADRM O=C([O-])N1CCc2ccc(NC(=S)Nc3ccccc3F)cc2C1 ZINC000740529296 602459779 /nfs/dbraw/zinc/45/97/79/602459779.db2.gz FKENUWFICSCRQR-UHFFFAOYSA-N -1 0 345.399 3.671 20 0 EHADRM CCc1ccc(CNC(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)s1 ZINC000739541323 602459854 /nfs/dbraw/zinc/45/98/54/602459854.db2.gz DUSJKEUFKBCCSS-MRXNPFEDSA-N -1 0 346.452 3.716 20 0 EHADRM CN(Cc1ccccc1NC(=O)c1cccc2ncccc21)C(=O)[O-] ZINC000739717688 602460839 /nfs/dbraw/zinc/46/08/39/602460839.db2.gz LGNQHSNJQSEQPF-UHFFFAOYSA-N -1 0 335.363 3.597 20 0 EHADRM Cc1cccc(N(C)C(=O)CC[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000740165545 602473099 /nfs/dbraw/zinc/47/30/99/602473099.db2.gz AHSPQPJBHWUKPL-KRWDZBQOSA-N -1 0 326.396 3.747 20 0 EHADRM CC(C)C[C@@H](C)n1nccc1NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000738805332 602484243 /nfs/dbraw/zinc/48/42/43/602484243.db2.gz MTSZHXOQFRNJDI-LLVKDONJSA-N -1 0 348.378 3.972 20 0 EHADRM O=C([O-])Nc1cc(C(=O)NCc2cccc3ccccc32)ccc1F ZINC000740695388 602484295 /nfs/dbraw/zinc/48/42/95/602484295.db2.gz JOZMOYCEGODIGH-UHFFFAOYSA-N -1 0 338.338 3.999 20 0 EHADRM O=C([O-])Nc1cc(C(=O)NCc2ccc(F)c(Cl)c2)ccc1F ZINC000740694949 602488081 /nfs/dbraw/zinc/48/80/81/602488081.db2.gz CJRQTDFDYLZNTQ-UHFFFAOYSA-N -1 0 340.713 3.638 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2cc(F)ccc2Cl)ccc1F ZINC000740698144 602488997 /nfs/dbraw/zinc/48/89/97/602488997.db2.gz MKWYIDWJIKFUQH-UHFFFAOYSA-N -1 0 326.686 3.960 20 0 EHADRM CC(C)N(CCC(=O)N(Cc1ccco1)c1ccccc1)C(=O)[O-] ZINC000738837086 602496726 /nfs/dbraw/zinc/49/67/26/602496726.db2.gz AWCWRPWWVGXYLF-UHFFFAOYSA-N -1 0 330.384 3.591 20 0 EHADRM CC(C)C(=O)Nc1ccc(C(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738765771 602502029 /nfs/dbraw/zinc/50/20/29/602502029.db2.gz PHKOLJOLDUNUPA-UHFFFAOYSA-N -1 0 341.367 3.623 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)CCOc2ccccc2Cl)cc1 ZINC000740708556 602502477 /nfs/dbraw/zinc/50/24/77/602502477.db2.gz HKADTCPWYDUOBJ-UHFFFAOYSA-N -1 0 334.759 3.838 20 0 EHADRM C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739047447 602502650 /nfs/dbraw/zinc/50/26/50/602502650.db2.gz QRMUITVFLCOYJQ-GFCCVEGCSA-N -1 0 340.379 3.671 20 0 EHADRM Cc1oc(C)c(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])c1C ZINC000740275120 602507103 /nfs/dbraw/zinc/50/71/03/602507103.db2.gz ZGIAGCFXOMWLLX-UHFFFAOYSA-N -1 0 328.368 3.888 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)c3cc4ccsc4[nH]3)ccc21 ZINC000740464269 602508053 /nfs/dbraw/zinc/50/80/53/602508053.db2.gz FKVVILHGUAQPQO-UHFFFAOYSA-N -1 0 341.392 3.912 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)C3(c4ccccc4)CC3)ccc21 ZINC000740523845 602508070 /nfs/dbraw/zinc/50/80/70/602508070.db2.gz NKWAYLZLAHKBNW-UHFFFAOYSA-N -1 0 336.391 3.788 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)c3cnc(C4CC4)s3)ccc21 ZINC000740471844 602510397 /nfs/dbraw/zinc/51/03/97/602510397.db2.gz MJTQSWSJBOJWCZ-UHFFFAOYSA-N -1 0 343.408 3.703 20 0 EHADRM CCC[C@@H](NC(=O)[O-])C(=O)Nc1cccc(-c2ccccc2OC)c1 ZINC000739324077 602513105 /nfs/dbraw/zinc/51/31/05/602513105.db2.gz XQMPJVUWURZXTA-MRXNPFEDSA-N -1 0 342.395 3.737 20 0 EHADRM CCCCc1noc([C@@H](C)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)n1 ZINC000739340162 602570749 /nfs/dbraw/zinc/57/07/49/602570749.db2.gz AKCVVDBCDHZMMJ-GFCCVEGCSA-N -1 0 344.415 3.621 20 0 EHADRM Cc1cc(C)cc(NC(=O)N2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)c1 ZINC000740065641 602580925 /nfs/dbraw/zinc/58/09/25/602580925.db2.gz DMSLEOYLRBIJHN-DOTOQJQBSA-N -1 0 345.443 3.690 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000738917632 602597082 /nfs/dbraw/zinc/59/70/82/602597082.db2.gz FHFZDDONCPWRNE-QMMMGPOBSA-N -1 0 345.321 3.963 20 0 EHADRM CCOc1ccccc1CCNC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000737211164 602603334 /nfs/dbraw/zinc/60/33/34/602603334.db2.gz NTOUQABKMLHFHB-UHFFFAOYSA-N -1 0 343.383 3.539 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N2CCC[C@@H]2c2ccccn2)cc1 ZINC000740710621 602603645 /nfs/dbraw/zinc/60/36/45/602603645.db2.gz VTYZUVZHPOBWOB-OAHLLOKOSA-N -1 0 326.356 3.541 20 0 EHADRM CCN(C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])C1CCCCC1 ZINC000739382621 602604536 /nfs/dbraw/zinc/60/45/36/602604536.db2.gz RAZPOZVAQPGJLY-UHFFFAOYSA-N -1 0 331.416 3.914 20 0 EHADRM C[C@H](c1ccco1)N(C)C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739058004 602605062 /nfs/dbraw/zinc/60/50/62/602605062.db2.gz FQDPLWCILOEKPQ-GFCCVEGCSA-N -1 0 343.383 3.935 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)N(C)[C@H](C)CNC(=O)[O-] ZINC000739518052 602606090 /nfs/dbraw/zinc/60/60/90/602606090.db2.gz ONPIKBGAESXJSJ-SECBINFHSA-N -1 0 345.852 3.572 20 0 EHADRM CCCCN(C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2)C1CC1 ZINC000739326876 602607503 /nfs/dbraw/zinc/60/75/03/602607503.db2.gz NQNUNFZUJRQVGO-UHFFFAOYSA-N -1 0 331.416 3.519 20 0 EHADRM O=C([O-])N1CCCN(C(=O)CC2CCC(c3ccccc3)CC2)CC1 ZINC000738645323 602637903 /nfs/dbraw/zinc/63/79/03/602637903.db2.gz WTSDPSCSZRZQHX-UHFFFAOYSA-N -1 0 344.455 3.563 20 0 EHADRM Cc1sc2ncnc(Oc3cccc(CNC(=O)[O-])c3)c2c1C ZINC000740275423 602687199 /nfs/dbraw/zinc/68/71/99/602687199.db2.gz CWRPIYBHKKLXGR-UHFFFAOYSA-N -1 0 329.381 3.868 20 0 EHADRM CCN(Cc1cccc(NC(=O)/C=C/c2cnc(C)s2)c1)C(=O)[O-] ZINC000739441564 602707273 /nfs/dbraw/zinc/70/72/73/602707273.db2.gz OHPWWHNOBGTLCR-BQYQJAHWSA-N -1 0 345.424 3.603 20 0 EHADRM CSCc1cccc(NC(=O)Cc2ccc(NC(=O)[O-])cc2)c1 ZINC000740020879 602713804 /nfs/dbraw/zinc/71/38/04/602713804.db2.gz HTRSZMXSEOGMDE-UHFFFAOYSA-N -1 0 330.409 3.821 20 0 EHADRM Cc1ccc(C(C)C)c(OC(=O)c2csc(CNC(=O)[O-])n2)c1 ZINC000740110696 602728240 /nfs/dbraw/zinc/72/82/40/602728240.db2.gz QBNLEQIONQVRJP-UHFFFAOYSA-N -1 0 334.397 3.562 20 0 EHADRM CCN(Cc1ccccc1NC(=O)CO[C@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000739444120 602731847 /nfs/dbraw/zinc/73/18/47/602731847.db2.gz OVMCFTAQMYHNDV-ZBFHGGJFSA-N -1 0 348.443 3.720 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)Nc2ccc(OCC3CC3)cc2)cc1 ZINC000740702675 602751975 /nfs/dbraw/zinc/75/19/75/602751975.db2.gz FCAGFXGZEZKVSG-UHFFFAOYSA-N -1 0 340.379 3.747 20 0 EHADRM C[C@@H](Oc1ccccc1NC(=O)CCCNC(=O)[O-])c1ccccc1 ZINC000736708708 602767314 /nfs/dbraw/zinc/76/73/14/602767314.db2.gz LCLHZAQXQHNCCE-CQSZACIVSA-N -1 0 342.395 3.813 20 0 EHADRM CC(C)C[C@@H]1CCCN1C(=O)[C@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000824225136 602781311 /nfs/dbraw/zinc/78/13/11/602781311.db2.gz PXRNSQHHMQNRLQ-HYVNUMGLSA-N -1 0 332.444 3.669 20 0 EHADRM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)CCC(C)(C)NC(=O)[O-] ZINC000739055631 602789122 /nfs/dbraw/zinc/78/91/22/602789122.db2.gz GRVNTDYDNXATNJ-NSHDSACASA-N -1 0 326.824 3.686 20 0 EHADRM O=C([O-])N1CCC[C@H]1[C@@H]1CCCN(C(=O)CCCC2CCCC2)C1 ZINC000831427464 602789412 /nfs/dbraw/zinc/78/94/12/602789412.db2.gz CXTADSINPPZGKQ-SJORKVTESA-N -1 0 336.476 3.728 20 0 EHADRM C[C@@H](C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-])c1cccs1 ZINC000738629497 602802464 /nfs/dbraw/zinc/80/24/64/602802464.db2.gz HGFFCFBIKPNLOM-LLVKDONJSA-N -1 0 330.409 3.921 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)Nc1ccc(NC(=O)[O-])cc1)C(C)C ZINC000738322810 602825422 /nfs/dbraw/zinc/82/54/22/602825422.db2.gz ZBPALRPRFVZGPW-HNNXBMFYSA-N -1 0 342.399 3.999 20 0 EHADRM CC[C@@H](CC(=O)N1CCC[C@H](CN(C)C(=O)[O-])C1)c1ccc(C)cc1 ZINC000739249706 602825633 /nfs/dbraw/zinc/82/56/33/602825633.db2.gz OJWDGUIRRQTUFX-SJORKVTESA-N -1 0 346.471 3.727 20 0 EHADRM CCOc1cc(C(=O)Nc2cc(NC(=O)[O-])ccc2F)ccc1C ZINC000739486310 602840803 /nfs/dbraw/zinc/84/08/03/602840803.db2.gz HTJWBZHOFSSYQS-UHFFFAOYSA-N -1 0 332.331 3.875 20 0 EHADRM Cc1ccc(C(=O)N2CCCC[C@H]2c2nccs2)cc1NC(=O)[O-] ZINC000830192787 602843427 /nfs/dbraw/zinc/84/34/27/602843427.db2.gz OUXUUEGKOGUCNU-AWEZNQCLSA-N -1 0 345.424 3.909 20 0 EHADRM COc1ccccc1[C@H](NC(=O)[O-])C(=O)Nc1ccc(C(C)C)cc1 ZINC000739970283 602883269 /nfs/dbraw/zinc/88/32/69/602883269.db2.gz VQUNQRGANWYXJF-KRWDZBQOSA-N -1 0 342.395 3.766 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)N1CCC([C@H](C)NC(=O)[O-])CC1)c1ccccc1 ZINC000739230830 602956731 /nfs/dbraw/zinc/95/67/31/602956731.db2.gz ZNMUXZGZKNQZBQ-RLFYNMQTSA-N -1 0 346.471 3.711 20 0 EHADRM Cc1ccc(Cl)c(OCC(=O)Oc2ccc(NC(=O)[O-])cc2)c1 ZINC000738281797 602957384 /nfs/dbraw/zinc/95/73/84/602957384.db2.gz XVPRRKVMQSKKKQ-UHFFFAOYSA-N -1 0 335.743 3.723 20 0 EHADRM CC(C)(CC(=O)Nc1ccccc1Oc1cccc(F)c1)NC(=O)[O-] ZINC000738739386 602966686 /nfs/dbraw/zinc/96/66/86/602966686.db2.gz VKBXNDVXMOEZCT-UHFFFAOYSA-N -1 0 346.358 3.993 20 0 EHADRM Cc1cc(Cl)cc(NC(=O)CCCCCCNC(=O)[O-])c1O ZINC000740076518 602970144 /nfs/dbraw/zinc/97/01/44/602970144.db2.gz XBSZYXVPDLUGFT-UHFFFAOYSA-N -1 0 328.796 3.511 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000740574146 603009657 /nfs/dbraw/zinc/00/96/57/603009657.db2.gz ULVONIGOYGSQAG-DLBZAZTESA-N -1 0 346.427 3.521 20 0 EHADRM CSc1ccc(Cl)c(-c2nc([C@@H](C)CN(C)C(=O)[O-])no2)c1 ZINC000740015477 603017920 /nfs/dbraw/zinc/01/79/20/603017920.db2.gz AUWOCFAZUNCACI-QMMMGPOBSA-N -1 0 341.820 3.825 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NCc2nc(-c3ccccc3)no2)c1 ZINC000740704114 603021159 /nfs/dbraw/zinc/02/11/59/603021159.db2.gz VENRDDNZTDWOCC-UHFFFAOYSA-N -1 0 328.303 3.578 20 0 EHADRM CC[C@H](CC(=O)NC[C@H](NC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000739247888 603021314 /nfs/dbraw/zinc/02/13/14/603021314.db2.gz ACIOMIHIKGHMGB-QAPCUYQASA-N -1 0 340.423 3.695 20 0 EHADRM O=C([O-])N[C@H](CNC(=O)CC/C=C/c1ccccc1)c1ccccc1 ZINC000740539413 603022259 /nfs/dbraw/zinc/02/22/59/603022259.db2.gz UNSLVHYHUGFCLM-JGZYNSJSSA-N -1 0 338.407 3.605 20 0 EHADRM O=C([O-])N[C@@H](CNC(=O)Cc1cccc2ccccc21)c1ccccc1 ZINC000740536187 603034981 /nfs/dbraw/zinc/03/49/81/603034981.db2.gz IQJRSLJHOJUAGH-IBGZPJMESA-N -1 0 348.402 3.507 20 0 EHADRM C[C@@H](NC(=O)Nc1cc(NC(=O)[O-])ccc1F)c1cccc(O)c1 ZINC000738978972 603036034 /nfs/dbraw/zinc/03/60/34/603036034.db2.gz FJVVPCTZJWBACH-SECBINFHSA-N -1 0 333.319 3.504 20 0 EHADRM CC(C)N(CCC(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1)C(=O)[O-] ZINC000739083771 603037682 /nfs/dbraw/zinc/03/76/82/603037682.db2.gz PMIQJDANJMXKBA-CZUORRHYSA-N -1 0 336.407 3.514 20 0 EHADRM CCN(C(=O)Nc1cc(NC(=O)[O-])ccc1F)[C@@H](C)c1cccnc1 ZINC000739381286 603039201 /nfs/dbraw/zinc/03/92/01/603039201.db2.gz MOJCBHOGYBHYGI-NSHDSACASA-N -1 0 346.362 3.926 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)cc1 ZINC000827899032 603047765 /nfs/dbraw/zinc/04/77/65/603047765.db2.gz CSXOBZLSNVMTGW-CHWSQXEVSA-N -1 0 347.317 3.788 20 0 EHADRM CCc1c(-c2csc(CN(CC)C(=O)[O-])n2)[nH]c(C)c1C(C)=O ZINC000739539139 603070819 /nfs/dbraw/zinc/07/08/19/603070819.db2.gz JAJXWOZBRSEMPI-UHFFFAOYSA-N -1 0 335.429 3.712 20 0 EHADRM CCN(Cc1nc(-c2cccc(OC(F)F)c2)cs1)C(=O)[O-] ZINC000739451377 603071138 /nfs/dbraw/zinc/07/11/38/603071138.db2.gz FVTBBVVAOXTVCA-UHFFFAOYSA-N -1 0 328.340 3.911 20 0 EHADRM Cc1ccc(NC(=O)CNc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1F ZINC000740135820 603103907 /nfs/dbraw/zinc/10/39/07/603103907.db2.gz OKLXEFPGLAVMQP-GFCCVEGCSA-N -1 0 345.374 3.513 20 0 EHADRM O=C([O-])NC[C@@H](NC(=O)Nc1cccc(-c2cccs2)c1)C1CC1 ZINC000740608230 603117643 /nfs/dbraw/zinc/11/76/43/603117643.db2.gz LFALMKLKCYZPRR-CQSZACIVSA-N -1 0 345.424 3.583 20 0 EHADRM CC(C)(C)Oc1ccccc1NC(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000738724248 603139907 /nfs/dbraw/zinc/13/99/07/603139907.db2.gz GEDUYUQDIHUAQR-UHFFFAOYSA-N -1 0 349.431 3.564 20 0 EHADRM CN(C(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1)c1ccc2ccccc2c1 ZINC000739573641 603153717 /nfs/dbraw/zinc/15/37/17/603153717.db2.gz LBIODWWUJPZPJX-HOTGVXAUSA-N -1 0 326.396 3.629 20 0 EHADRM CCN(C(=O)[C@@H](C)Oc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000826970596 603157893 /nfs/dbraw/zinc/15/78/93/603157893.db2.gz TWOJVRPRKQBIET-CYBMUJFWSA-N -1 0 328.368 3.597 20 0 EHADRM CC(C)c1cccc(NC(=O)COc2ccc(N(C)C(=O)[O-])cc2)c1 ZINC000824470821 603159220 /nfs/dbraw/zinc/15/92/20/603159220.db2.gz VCYATTYNDCTAKW-UHFFFAOYSA-N -1 0 342.395 3.942 20 0 EHADRM Cc1ccc(NC(=O)COc2ccc(N(C)C(=O)[O-])cc2)cc1Cl ZINC000830377609 603160106 /nfs/dbraw/zinc/16/01/06/603160106.db2.gz UJQXMOZQIOYEAJ-UHFFFAOYSA-N -1 0 348.786 3.780 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@H](C(=O)Nc2ccc(Cl)c3ncccc23)C1 ZINC000740575951 603163563 /nfs/dbraw/zinc/16/35/63/603163563.db2.gz SNMPJHMVVQUQRZ-QWRGUYRKSA-N -1 0 347.802 3.653 20 0 EHADRM Cc1ccc(C)c(NC(=S)N[C@@](C)(CNC(=O)[O-])CC(C)C)c1 ZINC000740116806 603174232 /nfs/dbraw/zinc/17/42/32/603174232.db2.gz YIFDCZNTBJPIBU-QGZVFWFLSA-N -1 0 337.489 3.662 20 0 EHADRM COc1cc(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)ccc1C ZINC000829087305 603175795 /nfs/dbraw/zinc/17/57/95/603175795.db2.gz LXPANQXIMAKPKC-GFCCVEGCSA-N -1 0 328.368 3.585 20 0 EHADRM Cc1cccc(OCCC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)c1 ZINC000830527697 603175867 /nfs/dbraw/zinc/17/58/67/603175867.db2.gz OABMXTDXUPJORY-AWEZNQCLSA-N -1 0 342.395 3.731 20 0 EHADRM C[C@@H]1CN(C(=S)Nc2ccc3ccccc3c2)CC[C@@H]1NC(=O)[O-] ZINC000739177793 603176319 /nfs/dbraw/zinc/17/63/19/603176319.db2.gz PIXXWFNBNCELIU-WBMJQRKESA-N -1 0 343.452 3.515 20 0 EHADRM CCSc1cc(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)ccn1 ZINC000827508084 603177965 /nfs/dbraw/zinc/17/79/65/603177965.db2.gz JMXFXFRIAQEYAP-LLVKDONJSA-N -1 0 345.424 3.775 20 0 EHADRM CCCCS[C@@H](C)C(=O)Nc1cccc2c1CCN(C(=O)[O-])C2 ZINC000739340811 603179232 /nfs/dbraw/zinc/17/92/32/603179232.db2.gz JKXJBRVLESTQGH-LBPRGKRZSA-N -1 0 336.457 3.583 20 0 EHADRM CC[C@H](Nc1ccccc1)C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000826619555 603186961 /nfs/dbraw/zinc/18/69/61/603186961.db2.gz KGUWPKOTPSZECR-DYVFJYSZSA-N -1 0 341.411 3.844 20 0 EHADRM CC[C@@H](Nc1ccccc1)C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000826619550 603187257 /nfs/dbraw/zinc/18/72/57/603187257.db2.gz KGUWPKOTPSZECR-CXAGYDPISA-N -1 0 341.411 3.844 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(F)c(NC(=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000826034588 603202187 /nfs/dbraw/zinc/20/21/87/603202187.db2.gz KWLAZBLPYLLFOZ-BZNIZROVSA-N -1 0 328.343 3.749 20 0 EHADRM C[C@H](CNC(=O)c1cccc(NC(=O)[O-])c1)c1ccc(F)cc1F ZINC000824973099 603207656 /nfs/dbraw/zinc/20/76/56/603207656.db2.gz CSGRQYSQEMBWNO-SNVBAGLBSA-N -1 0 334.322 3.588 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)N2CCCCC[C@H]2c2ccco2)C1 ZINC000740560717 603210916 /nfs/dbraw/zinc/21/09/16/603210916.db2.gz AWNUSJLEQVRDCB-ZNMIVQPWSA-N -1 0 334.416 3.550 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)N(Cc2ccoc2)C2CCCCC2)C1 ZINC000740566047 603218458 /nfs/dbraw/zinc/21/84/58/603218458.db2.gz STPFVCSNTCTGHN-JKSUJKDBSA-N -1 0 348.443 3.767 20 0 EHADRM C[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739197832 603226097 /nfs/dbraw/zinc/22/60/97/603226097.db2.gz KYPIKEAWQSKWBT-LLVKDONJSA-N -1 0 328.343 3.503 20 0 EHADRM C[C@@H](COc1ccccc1)NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000738939134 603226220 /nfs/dbraw/zinc/22/62/20/603226220.db2.gz LFDPOLKTWIMBME-NSHDSACASA-N -1 0 348.786 3.627 20 0 EHADRM O=C([O-])NC1CCC(C(=O)Nc2cc(C3CCCCCC3)[nH]n2)CC1 ZINC000740558087 603229405 /nfs/dbraw/zinc/22/94/05/603229405.db2.gz SKFTYBRFGAQYDG-UHFFFAOYSA-N -1 0 348.447 3.612 20 0 EHADRM CN(C(=O)c1ccc(NC(=O)[O-])cc1Cl)c1ccc(F)c(F)c1 ZINC000739593640 603229447 /nfs/dbraw/zinc/22/94/47/603229447.db2.gz LGVDNANQHKMHHL-UHFFFAOYSA-N -1 0 340.713 3.985 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1)NC(=O)[O-] ZINC000824605957 603234212 /nfs/dbraw/zinc/23/42/12/603234212.db2.gz MTRWJUDFIBDQTL-KBPBESRZSA-N -1 0 326.396 3.577 20 0 EHADRM Cc1cc(C)c(NC(=O)N[C@@H]2CCCC[C@H]2CNC(=O)[O-])c(C)c1 ZINC000829990649 603245615 /nfs/dbraw/zinc/24/56/15/603245615.db2.gz DQNBNOIJMWLLSN-LSDHHAIUSA-N -1 0 333.432 3.560 20 0 EHADRM CC(=O)c1cccc(NC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)c1 ZINC000823640327 603248924 /nfs/dbraw/zinc/24/89/24/603248924.db2.gz BDIVAMUKLNFPMY-LLVKDONJSA-N -1 0 341.367 3.862 20 0 EHADRM CC(C)c1ccccc1NC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)[O-] ZINC000824477015 603249075 /nfs/dbraw/zinc/24/90/75/603249075.db2.gz YRWISZITGSPAHC-DZGCQCFKSA-N -1 0 333.432 3.758 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000825442529 603249317 /nfs/dbraw/zinc/24/93/17/603249317.db2.gz JGSGHDKYXRKCFU-SECBINFHSA-N -1 0 335.310 3.937 20 0 EHADRM O=C([O-])N1CCC[C@@H]1[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)C1 ZINC000740341351 603253466 /nfs/dbraw/zinc/25/34/66/603253466.db2.gz MOGSPZPMKHIPQQ-BSDSXHPESA-N -1 0 348.487 3.584 20 0 EHADRM CSc1ccc(NC(=O)NC[C@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000829766447 603263739 /nfs/dbraw/zinc/26/37/39/603263739.db2.gz IUFZRPPURAIYFF-HNNXBMFYSA-N -1 0 345.424 3.539 20 0 EHADRM CC(C)CCc1ccccc1NC(=O)N1CCC[C@H]1CNC(=O)[O-] ZINC000824243837 603297471 /nfs/dbraw/zinc/29/74/71/603297471.db2.gz AKOANHXRVGZIIV-HNNXBMFYSA-N -1 0 333.432 3.539 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(C)C(=O)c1ccc(CNC(=O)[O-])o1 ZINC000825640186 603301903 /nfs/dbraw/zinc/30/19/03/603301903.db2.gz YWGUQDKFZLQWBP-JTQLQIEISA-N -1 0 336.775 3.534 20 0 EHADRM CC(C)[C@H]1CN(C(=O)Nc2cc(NC(=O)[O-])ccc2F)CCS1 ZINC000824163791 603325099 /nfs/dbraw/zinc/32/50/99/603325099.db2.gz ACIZPDQAVMAHLS-CYBMUJFWSA-N -1 0 341.408 3.521 20 0 EHADRM CCN(Cc1cccc(NC(=O)N([C@H](C)C2CC2)C2CC2)c1)C(=O)[O-] ZINC000827167948 603329395 /nfs/dbraw/zinc/32/93/95/603329395.db2.gz RJYZODNQEIISHO-CYBMUJFWSA-N -1 0 345.443 3.981 20 0 EHADRM CN(Cc1ccccc1NC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1)C(=O)[O-] ZINC000828400296 603330713 /nfs/dbraw/zinc/33/07/13/603330713.db2.gz WMHHOVQJZMDUFA-OFQRWUPVSA-N -1 0 345.443 3.887 20 0 EHADRM Cc1ccccc1[C@H](C)N(C)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000740183328 603331447 /nfs/dbraw/zinc/33/14/47/603331447.db2.gz JQOJHLGZOIKSLW-AWEZNQCLSA-N -1 0 341.411 3.988 20 0 EHADRM CN(Cc1ccccc1NC(=O)N[C@@H]1CCCc2occc21)C(=O)[O-] ZINC000739714265 603337928 /nfs/dbraw/zinc/33/79/28/603337928.db2.gz NOJYQNAAAJXTBW-OAHLLOKOSA-N -1 0 343.383 3.589 20 0 EHADRM CCN(Cc1cccc(NC(=O)N2CCC[C@@H]2C2CC2)c1)C(=O)[O-] ZINC000739440951 603341976 /nfs/dbraw/zinc/34/19/76/603341976.db2.gz BVHBVWJGYLODST-MRXNPFEDSA-N -1 0 331.416 3.593 20 0 EHADRM CC(C)CN(CC(C)C)C(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000738820229 603360860 /nfs/dbraw/zinc/36/08/60/603360860.db2.gz JXQNPPASUXJMAZ-UHFFFAOYSA-N -1 0 335.448 3.942 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc(CN(C)C(=O)[O-])c1)c1ccccc1 ZINC000738977857 603361577 /nfs/dbraw/zinc/36/15/77/603361577.db2.gz BLJHUBGMOQYDJK-CYBMUJFWSA-N -1 0 327.384 3.679 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(-c3cnco3)cc2)cc1NC(=O)[O-] ZINC000830230829 603361922 /nfs/dbraw/zinc/36/19/22/603361922.db2.gz SNWXXTYCCCNZHC-UHFFFAOYSA-N -1 0 337.335 3.992 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2Cl)o1 ZINC000832677664 603372456 /nfs/dbraw/zinc/37/24/56/603372456.db2.gz FHIYIMJHOFSHNV-CQSZACIVSA-N -1 0 348.786 3.678 20 0 EHADRM Cc1cccc(CNC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)c1 ZINC000830497694 603377313 /nfs/dbraw/zinc/37/73/13/603377313.db2.gz JUUVLCTWLVOXMV-CYBMUJFWSA-N -1 0 327.384 3.645 20 0 EHADRM CCc1ccc(NC(=S)NC[C@@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000739543232 603379541 /nfs/dbraw/zinc/37/95/41/603379541.db2.gz UCKHXWAVBYHKRU-MRXNPFEDSA-N -1 0 343.452 3.544 20 0 EHADRM Cc1cccc(CCNC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)c1 ZINC000830497212 603387662 /nfs/dbraw/zinc/38/76/62/603387662.db2.gz CMXRCXHITKRUPK-CQSZACIVSA-N -1 0 341.411 3.688 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)NCC(C2CC2)C2CC2)cc1 ZINC000825434163 603388260 /nfs/dbraw/zinc/38/82/60/603388260.db2.gz NPIBFWFZIDMRGQ-LLVKDONJSA-N -1 0 331.416 3.573 20 0 EHADRM Cc1c(CNC(=O)c2ccc(F)c(NC(=O)[O-])c2)oc2ccccc12 ZINC000740054488 603393790 /nfs/dbraw/zinc/39/37/90/603393790.db2.gz ZELYYVINYHLLCP-UHFFFAOYSA-N -1 0 342.326 3.900 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(-c2cccc(F)c2Cl)n1 ZINC000824216966 603412942 /nfs/dbraw/zinc/41/29/42/603412942.db2.gz AWEGKJZWQRPIPR-JTQLQIEISA-N -1 0 327.743 3.884 20 0 EHADRM Cc1cc2c(cc1C)O[C@@H](c1nc([C@@H](CC(C)C)NC(=O)[O-])no1)C2 ZINC000830143699 603416560 /nfs/dbraw/zinc/41/65/60/603416560.db2.gz LWVPEVUZZZEVID-UKRRQHHQSA-N -1 0 345.399 3.717 20 0 EHADRM C[C@H](C(=O)Nc1cccc(F)c1F)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823724702 603419965 /nfs/dbraw/zinc/41/99/65/603419965.db2.gz SNNOIFGRFPCZIX-BONVTDFDSA-N -1 0 334.322 3.548 20 0 EHADRM CCc1ccc(-c2noc([C@@H](CNC(=O)[O-])c3ccccc3)n2)cc1 ZINC000827568516 603420280 /nfs/dbraw/zinc/42/02/80/603420280.db2.gz CXJBTPARYMMRJO-INIZCTEOSA-N -1 0 337.379 3.699 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)Cc2ccc(NC(=O)[O-])cc2)c1C ZINC000740160377 603421469 /nfs/dbraw/zinc/42/14/69/603421469.db2.gz WVKWNWHLPDRAJS-CQSZACIVSA-N -1 0 326.396 3.813 20 0 EHADRM C[C@@H](C(=O)N1CCCN(C(=O)[O-])c2ccccc21)c1ccccc1F ZINC000738615774 603429587 /nfs/dbraw/zinc/42/95/87/603429587.db2.gz PHQRAQAWJQQDPJ-CYBMUJFWSA-N -1 0 342.370 3.851 20 0 EHADRM CCCc1ncc(C(=O)N2CCCN(C(=O)[O-])c3ccccc32)s1 ZINC000739379018 603431482 /nfs/dbraw/zinc/43/14/82/603431482.db2.gz NETMOKFIJOIUDJ-UHFFFAOYSA-N -1 0 345.424 3.631 20 0 EHADRM CC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736904096 603434547 /nfs/dbraw/zinc/43/45/47/603434547.db2.gz PKMNHHSTRVQUSW-QGZVFWFLSA-N -1 0 326.396 3.870 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)C/C=C\c2ccc(F)cc2)c1 ZINC000832724782 603445186 /nfs/dbraw/zinc/44/51/86/603445186.db2.gz NRLILICLRBCDMY-IHWYPQMZSA-N -1 0 328.343 3.635 20 0 EHADRM CC[C@H](OC(=O)c1ccc(CNC(=O)[O-])o1)c1ccc(F)cc1F ZINC000826631662 603453433 /nfs/dbraw/zinc/45/34/33/603453433.db2.gz LWDJWOHEMUHOMH-ZDUSSCGKSA-N -1 0 339.294 3.634 20 0 EHADRM Cc1cccc(NC(=O)NCCc2ccc(NC(=O)[O-])cc2)c1C ZINC000738733868 603461513 /nfs/dbraw/zinc/46/15/13/603461513.db2.gz FYZWZTPFGKKIDV-UHFFFAOYSA-N -1 0 327.384 3.758 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)CC(C)(C)NC(=O)[O-] ZINC000829868188 603477318 /nfs/dbraw/zinc/47/73/18/603477318.db2.gz ZIFGNUWWHUUTNL-UHFFFAOYSA-N -1 0 336.432 3.685 20 0 EHADRM C[C@@H](Oc1cccc(Cl)c1)C(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000825617111 603483937 /nfs/dbraw/zinc/48/39/37/603483937.db2.gz OBALOCJQFOSQGN-SNVBAGLBSA-N -1 0 335.743 3.803 20 0 EHADRM CCCOc1ccc(NC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)cc1Cl ZINC000826939432 603499559 /nfs/dbraw/zinc/49/95/59/603499559.db2.gz KPMSTZHNZIVZQV-QWRGUYRKSA-N -1 0 340.807 3.504 20 0 EHADRM CCN(C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)[C@H](C)c1cc2ccccc2o1 ZINC000826970205 603513522 /nfs/dbraw/zinc/51/35/22/603513522.db2.gz OTHVKMMXOZQAIG-YUELXQCFSA-N -1 0 344.411 3.779 20 0 EHADRM CCC[C@H](C)N(C)C(=O)c1cc(Cl)c(NC(=O)[O-])cc1OC ZINC000826734126 603529997 /nfs/dbraw/zinc/52/99/97/603529997.db2.gz FVJCWOXGGQODAL-VIFPVBQESA-N -1 0 328.796 3.699 20 0 EHADRM CC(C)N(C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)c1ccc(F)cc1Cl ZINC000824323478 603535078 /nfs/dbraw/zinc/53/50/78/603535078.db2.gz DOTYZPSQLGPOFU-PWSUYJOCSA-N -1 0 342.798 3.657 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)[C@@H]3C[C@]34CCc3ccccc34)ccc21 ZINC000831773285 603553406 /nfs/dbraw/zinc/55/34/06/603553406.db2.gz VAJSUDBVNRMIMG-UWJYYQICSA-N -1 0 348.402 3.570 20 0 EHADRM Cc1c(Cl)cccc1NC(=S)N(C)CC(C)(C)CNC(=O)[O-] ZINC000829871506 603581727 /nfs/dbraw/zinc/58/17/27/603581727.db2.gz BLDITFCVJFJRJZ-UHFFFAOYSA-N -1 0 343.880 3.571 20 0 EHADRM COc1cc(NC(=O)c2cccc3cnccc32)ccc1NC(=O)[O-] ZINC000829198263 603609959 /nfs/dbraw/zinc/60/99/59/603609959.db2.gz QGFONEOHROTWOL-UHFFFAOYSA-N -1 0 337.335 3.586 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1)c1cccc(Cl)c1Cl ZINC000825081171 603632890 /nfs/dbraw/zinc/63/28/90/603632890.db2.gz AFMUWCQZGKSJBN-LPEHRKFASA-N -1 0 345.226 3.607 20 0 EHADRM C[C@@H](CN(C)C(=O)[O-])c1nc(-c2c(Cl)cccc2Cl)no1 ZINC000824896561 603633043 /nfs/dbraw/zinc/63/30/43/603633043.db2.gz WBAXPKLZRXIINZ-ZETCQYMHSA-N -1 0 330.171 3.757 20 0 EHADRM CC(C)[C@H](NC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000824129014 603748782 /nfs/dbraw/zinc/74/87/82/603748782.db2.gz KNKJGKZPFGCJLQ-CFVMTHIKSA-N -1 0 338.835 3.590 20 0 EHADRM CCN(CC1CCN(C(=O)C[C@H](C)CC(C)(C)C)CC1)C(=O)[O-] ZINC000827059493 603751685 /nfs/dbraw/zinc/75/16/85/603751685.db2.gz OAKXKHUWNITDBQ-AWEZNQCLSA-N -1 0 326.481 3.687 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000832832617 603785679 /nfs/dbraw/zinc/78/56/79/603785679.db2.gz ABKWBKWMYVIYKT-JQWIXIFHSA-N -1 0 344.333 3.875 20 0 EHADRM CCCCN(C(=O)CC1CN(C(=O)[O-])C1)[C@@H](CC)c1ccccc1 ZINC000826826616 603801301 /nfs/dbraw/zinc/80/13/01/603801301.db2.gz UNLCDFOQQOQTCK-KRWDZBQOSA-N -1 0 332.444 3.766 20 0 EHADRM COc1ccc(NC(=O)c2cc(F)c(C)cc2F)cc1NC(=O)[O-] ZINC000829474414 603823011 /nfs/dbraw/zinc/82/30/11/603823011.db2.gz HBOVUYVWJPVQAX-UHFFFAOYSA-N -1 0 336.294 3.624 20 0 EHADRM O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)N1CCC[C@@H]1c1cccs1)C2 ZINC000831298393 603825630 /nfs/dbraw/zinc/82/56/30/603825630.db2.gz GFWGGWHVRLGPFF-JALIKCBVSA-N -1 0 348.468 3.723 20 0 EHADRM Cc1cccc(C)c1NC(=S)N(C)C1CCC(NC(=O)[O-])CC1 ZINC000830487402 603829368 /nfs/dbraw/zinc/82/93/68/603829368.db2.gz APEWWUQTBSLCJS-UHFFFAOYSA-N -1 0 335.473 3.511 20 0 EHADRM CC(C)[C@H](CCN(C)C(=S)Nc1ccc(Cl)cc1)NC(=O)[O-] ZINC000824097732 603830261 /nfs/dbraw/zinc/83/02/61/603830261.db2.gz AGCPGYLVHZXDPA-ZDUSSCGKSA-N -1 0 343.880 3.651 20 0 EHADRM CC[C@@H](Oc1ccccc1C)c1nc([C@@H](C)CN(C)C(=O)[O-])no1 ZINC000826632852 603880169 /nfs/dbraw/zinc/88/01/69/603880169.db2.gz UKKSQSHGFBUAMU-QWHCGFSZSA-N -1 0 333.388 3.621 20 0 EHADRM O=C([O-])NC1(C(=O)Nc2cccc(CCC(F)(F)F)c2)CCCC1 ZINC000832180193 603929655 /nfs/dbraw/zinc/92/96/55/603929655.db2.gz CGCAFUFIHIKBPQ-UHFFFAOYSA-N -1 0 344.333 3.700 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)c1cc2cccc(F)c2o1 ZINC000831794345 603951303 /nfs/dbraw/zinc/95/13/03/603951303.db2.gz YOOMALWFYAYRSL-UHFFFAOYSA-N -1 0 340.310 3.865 20 0 EHADRM CSCc1ccc(C(=O)Nc2cccc3c2CCN3C(=O)[O-])cc1 ZINC000829755329 603959816 /nfs/dbraw/zinc/95/98/16/603959816.db2.gz VERWOBYEXNRZPC-UHFFFAOYSA-N -1 0 342.420 3.842 20 0 EHADRM Cc1ccc(C(=O)OCc2nc3ccccc3o2)cc1NC(=O)[O-] ZINC000830244509 603960378 /nfs/dbraw/zinc/96/03/78/603960378.db2.gz AQSFJGSNBFOJJH-UHFFFAOYSA-N -1 0 326.308 3.583 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)N(Cc2ccsc2)c2ccccc2)C1 ZINC000832248344 603966535 /nfs/dbraw/zinc/96/65/35/603966535.db2.gz WQFAWMSNLBSZMZ-HUUCEWRRSA-N -1 0 344.436 3.718 20 0 EHADRM CCC[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])C1 ZINC000826774973 603985883 /nfs/dbraw/zinc/98/58/83/603985883.db2.gz MOSZFEGBQVDPOY-CYBMUJFWSA-N -1 0 331.416 3.771 20 0 EHADRM C[C@@H]1CCC[C@@H](C)N(C(=O)Nc2cccc3c2CCN3C(=O)[O-])C1 ZINC000825886548 603988642 /nfs/dbraw/zinc/98/86/42/603988642.db2.gz IISFEUOGIKBMQZ-CHWSQXEVSA-N -1 0 331.416 3.770 20 0 EHADRM C[C@H](C(=O)N(C)C1CCC(NC(=O)[O-])CC1)c1ccc(Cl)s1 ZINC000823654819 603994899 /nfs/dbraw/zinc/99/48/99/603994899.db2.gz MPZCNWGIWZQVQN-WHXUTIOJSA-N -1 0 344.864 3.542 20 0 EHADRM C[C@H]1CCN(C(=O)c2cccc(NC(=O)[O-])c2)[C@@H](c2ccco2)C1 ZINC000825944799 604025246 /nfs/dbraw/zinc/02/52/46/604025246.db2.gz QBUKGFWZNCATDP-SWLSCSKDSA-N -1 0 328.368 3.983 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)[C@@H](C)Sc2ccccn2)cc1 ZINC000825622498 604043374 /nfs/dbraw/zinc/04/33/74/604043374.db2.gz DDUWGNBDPQRFQB-VXGBXAGGSA-N -1 0 345.424 3.530 20 0 EHADRM CC(C)c1ccccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000824477041 604118533 /nfs/dbraw/zinc/11/85/33/604118533.db2.gz ZKLAXSHZBHZZSU-KGLIPLIRSA-N -1 0 331.416 3.559 20 0 EHADRM Cc1cc(C)c(NC(=O)N(C)CC[C@@H](NC(=O)[O-])C(C)C)c(C)c1 ZINC000829990995 604119953 /nfs/dbraw/zinc/11/99/53/604119953.db2.gz NBDDIOQPFAVONS-OAHLLOKOSA-N -1 0 335.448 3.758 20 0 EHADRM CCS[C@H]1CCC[C@H]1NC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000827503364 604126082 /nfs/dbraw/zinc/12/60/82/604126082.db2.gz IOQYFYRXFICDBA-HIFRSBDPSA-N -1 0 349.456 3.523 20 0 EHADRM Cc1cc2cc(NC(=O)N(C)CC[C@H](NC(=O)[O-])C(C)C)ccc2[nH]1 ZINC000830144154 604137591 /nfs/dbraw/zinc/13/75/91/604137591.db2.gz SOQIRFFALPRPSV-HNNXBMFYSA-N -1 0 346.431 3.622 20 0 EHADRM C[C@@H](C(=O)OC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccc(Cl)s1 ZINC000823732171 604184479 /nfs/dbraw/zinc/18/44/79/604184479.db2.gz SWNHGJZBLUWIIO-NFLHVTIKSA-N -1 0 343.832 3.722 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)Oc2ccccc2-c2ccccc2)C1 ZINC000832312929 604220275 /nfs/dbraw/zinc/22/02/75/604220275.db2.gz NYFVKWNIKQFGSS-HUUCEWRRSA-N -1 0 325.364 3.695 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000832845319 604267065 /nfs/dbraw/zinc/26/70/65/604267065.db2.gz WESIPTQCBBVPHZ-LBPRGKRZSA-N -1 0 336.391 3.974 20 0 EHADRM Cc1ccc(C[C@H]2CCCN2C(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000832929587 604274840 /nfs/dbraw/zinc/27/48/40/604274840.db2.gz YIYIHBNNWIYTSR-MRXNPFEDSA-N -1 0 341.382 3.680 20 0 EHADRM CCc1ccc([C@H]2CCCN2C(=O)c2ccc(C(=O)[O-])c(F)c2)o1 ZINC000830236597 604278929 /nfs/dbraw/zinc/27/89/29/604278929.db2.gz BJWUTYCZTKMTPI-OAHLLOKOSA-N -1 0 331.343 3.657 20 0 EHADRM CC(C)CN(Cc1ccccc1F)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000826881348 604280226 /nfs/dbraw/zinc/28/02/26/604280226.db2.gz PLOUJLUMAVFNLX-UHFFFAOYSA-N -1 0 347.361 3.961 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@@H](C)c1cccc(OC(C)C)c1 ZINC000832844784 604282848 /nfs/dbraw/zinc/28/28/48/604282848.db2.gz KQIRHTDOLQHYCX-LBPRGKRZSA-N -1 0 344.411 3.608 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@H](C)c1oc2ccccc2c1C ZINC000832844486 604286709 /nfs/dbraw/zinc/28/67/09/604286709.db2.gz DXCYRGMOZBRKPO-GFCCVEGCSA-N -1 0 340.379 3.875 20 0 EHADRM CC[C@H]1CCc2nc(NC(=O)c3c(C)[nH]c(C(=O)[O-])c3C)sc2C1 ZINC000737787930 604287905 /nfs/dbraw/zinc/28/79/05/604287905.db2.gz QUUNSQWMCKVOSU-JTQLQIEISA-N -1 0 347.440 3.553 20 0 EHADRM C[C@H](CC(=O)N(C)[C@H](C)c1cccs1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824552439 604311163 /nfs/dbraw/zinc/31/11/63/604311163.db2.gz QLKYQWCOAUJTBC-MCIONIFRSA-N -1 0 338.473 3.684 20 0 EHADRM CN(C[C@@H]1CCCN(C(=O)c2ccc(C(C)(C)C)s2)C1)C(=O)[O-] ZINC000828179598 604317423 /nfs/dbraw/zinc/31/74/23/604317423.db2.gz ABGSKCOGMOPGLL-LBPRGKRZSA-N -1 0 338.473 3.508 20 0 EHADRM O=C([O-])c1cc(C(=O)NC2(c3cccc(Cl)c3)CCCC2)ccn1 ZINC000833129862 604352236 /nfs/dbraw/zinc/35/22/36/604352236.db2.gz TTWRCBFXAZEYPT-UHFFFAOYSA-N -1 0 344.798 3.633 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1nc(-c2cccs2)cs1 ZINC000832847477 604366633 /nfs/dbraw/zinc/36/66/33/604366633.db2.gz QXAXNRZPHNUYMR-UHFFFAOYSA-N -1 0 347.421 3.767 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000833318665 604378914 /nfs/dbraw/zinc/37/89/14/604378914.db2.gz BPLMMHLRJNWGHX-UHFFFAOYSA-N -1 0 345.223 3.934 20 0 EHADRM CCC(=O)c1ccc(OC(=O)CCc2ccc(C(=O)[O-])cc2)c(F)c1 ZINC000828574164 604414735 /nfs/dbraw/zinc/41/47/35/604414735.db2.gz JWVWRFVTCZGSEG-UHFFFAOYSA-N -1 0 344.338 3.655 20 0 EHADRM C[C@@H](CN(C)C(=O)[O-])c1noc(-c2cc(C(F)(F)F)ccc2F)n1 ZINC000824902462 604423583 /nfs/dbraw/zinc/42/35/83/604423583.db2.gz MJKJWSSQIWAHDW-ZETCQYMHSA-N -1 0 347.268 3.608 20 0 EHADRM CCC(CC)n1ccc(C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)n1 ZINC000828870597 604434513 /nfs/dbraw/zinc/43/45/13/604434513.db2.gz RVZPXXVTEYXLCT-NSHDSACASA-N -1 0 334.372 3.762 20 0 EHADRM CN(Cc1nc2ccccc2o1)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000830879400 604439984 /nfs/dbraw/zinc/43/99/84/604439984.db2.gz KTUQPWCVZIJLBF-MRXNPFEDSA-N -1 0 330.771 3.739 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)Cc2ccccc2Cl)cc1 ZINC000825377526 604446723 /nfs/dbraw/zinc/44/67/23/604446723.db2.gz FODDTCWELBAOBI-LBPRGKRZSA-N -1 0 346.814 3.528 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)c2cccc(C(F)F)c2)cc1 ZINC000825397450 604448148 /nfs/dbraw/zinc/44/81/48/604448148.db2.gz LXVXERCEBHRHJL-NSHDSACASA-N -1 0 348.349 3.883 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)CCCSC(C)(C)C)c1ccccc1 ZINC000833410996 604462871 /nfs/dbraw/zinc/46/28/71/604462871.db2.gz KGBOZOLTZFVYLY-XJKSGUPXSA-N -1 0 337.485 3.877 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)CCCSC(C)(C)C)c1ccccc1 ZINC000833410994 604462917 /nfs/dbraw/zinc/46/29/17/604462917.db2.gz KGBOZOLTZFVYLY-CJNGLKHVSA-N -1 0 337.485 3.877 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@H]1CC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000827654014 604478024 /nfs/dbraw/zinc/47/80/24/604478024.db2.gz WECOWCQVLQQEHX-ONGXEEELSA-N -1 0 345.226 3.703 20 0 EHADRM COc1ccc(CCCC(=O)OC2CCC(CC(=O)[O-])CC2)cc1 ZINC000833731473 604496348 /nfs/dbraw/zinc/49/63/48/604496348.db2.gz DFDODGCERXXYDB-UHFFFAOYSA-N -1 0 334.412 3.595 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)OC1CCC(CC(=O)[O-])CC1 ZINC000833546457 604498260 /nfs/dbraw/zinc/49/82/60/604498260.db2.gz SZBDLEIBBXNHHY-HLIUYOAVSA-N -1 0 336.453 3.885 20 0 EHADRM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000827935777 604506682 /nfs/dbraw/zinc/50/66/82/604506682.db2.gz VQBWOLZYTLXXED-QMMMGPOBSA-N -1 0 340.351 3.949 20 0 EHADRM CC[C@@H](OC(=O)Cc1cccc(C(=O)[O-])c1)c1cccc(OC)c1 ZINC000833646222 604520970 /nfs/dbraw/zinc/52/09/70/604520970.db2.gz QKYZXKQKSSEOLN-QGZVFWFLSA-N -1 0 328.364 3.630 20 0 EHADRM CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1ccc(C)c(-c2nc(C)co2)c1 ZINC000826721544 604523313 /nfs/dbraw/zinc/52/33/13/604523313.db2.gz SPWXQQNRMIQZRF-GOSISDBHSA-N -1 0 345.399 3.723 20 0 EHADRM C[C@@H]1CC[C@H](C)N(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000828215090 604524382 /nfs/dbraw/zinc/52/43/82/604524382.db2.gz ZISFRFBCXXNAPQ-IJEWVQPXSA-N -1 0 332.444 3.669 20 0 EHADRM CCc1ccccc1NC(=O)NCc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000827604116 604527350 /nfs/dbraw/zinc/52/73/50/604527350.db2.gz GBLJEUAEUBCZHQ-ZDUSSCGKSA-N -1 0 341.411 3.899 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)N1CCCCCCC1)c1ccccc1 ZINC000826096675 604531511 /nfs/dbraw/zinc/53/15/11/604531511.db2.gz ZIMWQFRZJJIXGE-INIZCTEOSA-N -1 0 332.444 3.814 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2ccccc2OC(F)F)oc1C(=O)[O-] ZINC000832875154 604548808 /nfs/dbraw/zinc/54/88/08/604548808.db2.gz MFNSIZVDZSIUIG-SECBINFHSA-N -1 0 340.278 3.806 20 0 EHADRM CCC(CC)n1nccc1C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000181653819 604551162 /nfs/dbraw/zinc/55/11/62/604551162.db2.gz IDFJIKRLMDLKJF-MRXNPFEDSA-N -1 0 343.427 3.580 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)CCc2nc3ccccc3o2)oc1C(=O)[O-] ZINC000832872091 604556496 /nfs/dbraw/zinc/55/64/96/604556496.db2.gz LYTGKRYMAZHJRD-LLVKDONJSA-N -1 0 343.335 3.664 20 0 EHADRM CC[C@@H](C(=O)N1CCC[C@H]1CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000262842215 604560110 /nfs/dbraw/zinc/56/01/10/604560110.db2.gz CIOCHFFIOYZKGA-UONOGXRCSA-N -1 0 343.345 3.665 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2coc(Br)c2)oc1C(=O)[O-] ZINC000832873084 604563142 /nfs/dbraw/zinc/56/31/42/604563142.db2.gz FXMUEMZNYAEMLQ-ZETCQYMHSA-N -1 0 343.129 3.560 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N3CCC[C@@H]3CC(=O)[O-])o2)cc1 ZINC000262945573 604563838 /nfs/dbraw/zinc/56/38/38/604563838.db2.gz MLSNYNDKWHMIKL-OAHLLOKOSA-N -1 0 327.380 3.588 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2cc(-c3cccs3)[nH]n2)oc1C(=O)[O-] ZINC000832873271 604566493 /nfs/dbraw/zinc/56/64/93/604566493.db2.gz AZIIJRKVZSCRCC-SECBINFHSA-N -1 0 346.364 3.656 20 0 EHADRM C[C@@H](CC(=O)N1CCC[C@H]1CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000262840020 604567662 /nfs/dbraw/zinc/56/76/62/604567662.db2.gz CDTNDHKASZJRTE-FZMZJTMJSA-N -1 0 343.345 3.665 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000262951579 604570790 /nfs/dbraw/zinc/57/07/90/604570790.db2.gz MUWNCOWUGXCKOQ-MRXNPFEDSA-N -1 0 349.858 3.909 20 0 EHADRM CC(C)(C)c1cc(C(=O)Nc2cccc(SCCC(=O)[O-])c2)no1 ZINC000833446557 604573415 /nfs/dbraw/zinc/57/34/15/604573415.db2.gz DCDDKFZQXOAKAE-UHFFFAOYSA-N -1 0 348.424 3.791 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)c1ccccc1SCc1ccco1 ZINC000653646653 604582746 /nfs/dbraw/zinc/58/27/46/604582746.db2.gz NOBWBJJJSDCJLX-ZDUSSCGKSA-N -1 0 345.420 3.651 20 0 EHADRM CC(C)CSCCCNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000833491299 604590066 /nfs/dbraw/zinc/59/00/66/604590066.db2.gz CSGOSJGEXYCAJB-UHFFFAOYSA-N -1 0 346.399 3.564 20 0 EHADRM Cc1ccc(-c2ncc(C(=O)N3CCC[C@H]3CC(=O)[O-])s2)c(C)c1 ZINC000653646641 604590116 /nfs/dbraw/zinc/59/01/16/604590116.db2.gz MMLXJEYZNBWFNU-ZDUSSCGKSA-N -1 0 344.436 3.506 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000833211629 604592814 /nfs/dbraw/zinc/59/28/14/604592814.db2.gz HDOBZSPFRVUDFI-HNNXBMFYSA-N -1 0 343.354 3.697 20 0 EHADRM C[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833614147 604602241 /nfs/dbraw/zinc/60/22/41/604602241.db2.gz XMSNORMRAHWIIX-IUODEOHRSA-N -1 0 336.457 3.954 20 0 EHADRM C[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833614149 604602417 /nfs/dbraw/zinc/60/24/17/604602417.db2.gz XMSNORMRAHWIIX-WFASDCNBSA-N -1 0 336.457 3.954 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)c1ccccc1Sc1ccccc1 ZINC000262814739 604604404 /nfs/dbraw/zinc/60/44/04/604604404.db2.gz AAFCODJBKOHKOB-CQSZACIVSA-N -1 0 341.432 3.917 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)c1 ZINC000833289205 604621776 /nfs/dbraw/zinc/62/17/76/604621776.db2.gz QHORZUNRWXMJIV-IXDOHACOSA-N -1 0 337.379 3.626 20 0 EHADRM Cc1ccc(NCc2nc(-c3ccc(F)c(F)c3)no2)cc1C(=O)[O-] ZINC000832952231 604643358 /nfs/dbraw/zinc/64/33/58/604643358.db2.gz UCIFAVHTCNCAGY-UHFFFAOYSA-N -1 0 345.305 3.634 20 0 EHADRM O=C([O-])[C@@H](NCc1csc(Nc2ccccc2)n1)c1ccccc1 ZINC000833169364 604668840 /nfs/dbraw/zinc/66/88/40/604668840.db2.gz GNICYKACAZQSND-INIZCTEOSA-N -1 0 339.420 3.802 20 0 EHADRM CC(C)n1cc2ccc(NC(=O)c3ccc(NC(=O)[O-])cc3)cc2n1 ZINC000738888007 604696841 /nfs/dbraw/zinc/69/68/41/604696841.db2.gz APDBDTOSWAODEZ-UHFFFAOYSA-N -1 0 338.367 3.959 20 0 EHADRM C=Cc1cc(OC)c(OCc2ccc(C(=O)[O-])cc2F)c(OC)c1 ZINC000833380583 604702089 /nfs/dbraw/zinc/70/20/89/604702089.db2.gz KIDXCYVZOBHUDA-UHFFFAOYSA-N -1 0 332.327 3.763 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)Cc1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000538576478 604709351 /nfs/dbraw/zinc/70/93/51/604709351.db2.gz NQSLYPBDFADFBZ-SFHVURJKSA-N -1 0 343.398 3.970 20 0 EHADRM CN(C(=O)c1ccc(-c2ccccc2F)o1)C1(C(=O)[O-])CCCC1 ZINC000830523390 604713296 /nfs/dbraw/zinc/71/32/96/604713296.db2.gz KIZLNGFQMYPZQJ-UHFFFAOYSA-N -1 0 331.343 3.555 20 0 EHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC000833386156 604725738 /nfs/dbraw/zinc/72/57/38/604725738.db2.gz XPRUOTGZOMJKMI-ATWMFIQVSA-N -1 0 335.812 3.747 20 0 EHADRM O=C([O-])CCc1csc(NC(=O)c2cc3ccccc3s2)n1 ZINC000833241138 604729374 /nfs/dbraw/zinc/72/93/74/604729374.db2.gz YHJILMZJTFZBNR-UHFFFAOYSA-N -1 0 332.406 3.627 20 0 EHADRM C[C@H](C(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccc(Cl)s1 ZINC000826026337 604739938 /nfs/dbraw/zinc/73/99/38/604739938.db2.gz NKHBFDKOYGFAII-ZETCQYMHSA-N -1 0 344.845 3.617 20 0 EHADRM CCc1[nH]c(C(=O)N2CCc3sccc3[C@H]2CC)c(C)c1C(=O)[O-] ZINC000830191798 604741971 /nfs/dbraw/zinc/74/19/71/604741971.db2.gz JMDVNVPUTMBOHM-CYBMUJFWSA-N -1 0 346.452 3.795 20 0 EHADRM CC(C)(C)[C@H]1CCCN(C(=O)CCc2ccccc2C(=O)[O-])CC1 ZINC000262283561 604749868 /nfs/dbraw/zinc/74/98/68/604749868.db2.gz ZZGVWGLIEOREJT-INIZCTEOSA-N -1 0 331.456 3.992 20 0 EHADRM C[C@H](Oc1ccc(CN(CC2CCC2)CC(F)(F)F)cc1)C(=O)[O-] ZINC000833538195 604757376 /nfs/dbraw/zinc/75/73/76/604757376.db2.gz RMQVRYMWTMGPGY-LBPRGKRZSA-N -1 0 345.361 3.703 20 0 EHADRM COC1CCC(CC(=O)Oc2ccc(C(=O)[O-])cc2Cl)CC1 ZINC000833718542 604766574 /nfs/dbraw/zinc/76/65/74/604766574.db2.gz DHGNAWCEFMMPIV-UHFFFAOYSA-N -1 0 326.776 3.539 20 0 EHADRM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000537473548 604775813 /nfs/dbraw/zinc/77/58/13/604775813.db2.gz ZOZJOFQMKBVIQM-BUXKBTBVSA-N -1 0 341.382 3.506 20 0 EHADRM CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc(NC(=O)[O-])cc2)C1 ZINC000833437230 604789215 /nfs/dbraw/zinc/78/92/15/604789215.db2.gz PEFKNBHRZQPLMA-CQSZACIVSA-N -1 0 335.404 3.588 20 0 EHADRM C[C@H]1CC[C@@H](CC(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)C1 ZINC000828221207 604790162 /nfs/dbraw/zinc/79/01/62/604790162.db2.gz JQHHEHWUORWQIV-LSDHHAIUSA-N -1 0 344.455 3.614 20 0 EHADRM C[C@@](O)(c1ccc(OCc2ccc(C(=O)[O-])cc2)cc1)C(F)(F)F ZINC000827780442 604796089 /nfs/dbraw/zinc/79/60/89/604796089.db2.gz LGVMKAILEFNTEB-MRXNPFEDSA-N -1 0 340.297 3.734 20 0 EHADRM CC(C)C[C@H](CNC(=O)C1(Cc2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC000833478197 604809157 /nfs/dbraw/zinc/80/91/57/604809157.db2.gz ZTZUDSJPALGAAZ-CQSZACIVSA-N -1 0 337.847 3.526 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccc(F)c(Cl)c1 ZINC000827694712 604814373 /nfs/dbraw/zinc/81/43/73/604814373.db2.gz IWEKCQGZQDRFPR-MRVPVSSYSA-N -1 0 339.725 3.807 20 0 EHADRM CCCOc1ccc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)c(C)c1 ZINC000829532556 604814852 /nfs/dbraw/zinc/81/48/52/604814852.db2.gz RNRFGNKPJKEEIN-UHFFFAOYSA-N -1 0 331.343 3.873 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000828765129 604815160 /nfs/dbraw/zinc/81/51/60/604815160.db2.gz XRLJZVZXPLWMBM-LLVKDONJSA-N -1 0 331.343 3.954 20 0 EHADRM CC(C)(C(=O)N1CCc2ccc(C(=O)[O-])cc2C1)C1CCCCC1 ZINC000833412742 604815217 /nfs/dbraw/zinc/81/52/17/604815217.db2.gz FYTWJAMULNTTMN-UHFFFAOYSA-N -1 0 329.440 3.876 20 0 EHADRM Cc1cccc(C2(C(=O)N3CCc4ccc(C(=O)[O-])cc4C3)CCC2)c1 ZINC000679097100 604815236 /nfs/dbraw/zinc/81/52/36/604815236.db2.gz BVMLPDMGUBQVGD-UHFFFAOYSA-N -1 0 349.430 3.700 20 0 EHADRM CC(C)[C@@H](OC(=O)CN(C)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000826723002 604819798 /nfs/dbraw/zinc/81/97/98/604819798.db2.gz OJNJZCKFBUEENH-CYBMUJFWSA-N -1 0 333.306 3.556 20 0 EHADRM CC(C)n1ncc2cc(NC(=O)c3ccc(C(=O)[O-])c(F)c3)ccc21 ZINC000827200829 604822800 /nfs/dbraw/zinc/82/28/00/604822800.db2.gz JRKOTLDSMKOCJX-UHFFFAOYSA-N -1 0 341.342 3.707 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(OCC3CC3)cc2)cc1F ZINC000833156460 604823195 /nfs/dbraw/zinc/82/31/95/604823195.db2.gz LZAFKLMPJMUBCV-UHFFFAOYSA-N -1 0 329.327 3.565 20 0 EHADRM COc1ccc2nc(N3CCc4ccc(C(=O)[O-])cc4C3)ccc2c1 ZINC000833734907 604835633 /nfs/dbraw/zinc/83/56/33/604835633.db2.gz KMPOLEBEBTZSFH-UHFFFAOYSA-N -1 0 334.375 3.504 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000827257702 604840401 /nfs/dbraw/zinc/84/04/01/604840401.db2.gz QOTIGSUEBAPRHT-NSHDSACASA-N -1 0 341.860 3.534 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)C[C@@H](C)c2ccccc2)cc1 ZINC000013188499 604843315 /nfs/dbraw/zinc/84/33/15/604843315.db2.gz XLAHIXQMIXYTFA-KDOFPFPSSA-N -1 0 341.407 3.521 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccc(CC(=O)[O-])cc2)Cc2ccccc21 ZINC000833560022 604848108 /nfs/dbraw/zinc/84/81/08/604848108.db2.gz LVKAPHOIYSSBPZ-UHFFFAOYSA-N -1 0 338.407 3.639 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)C1(C)C ZINC000669436412 604856596 /nfs/dbraw/zinc/85/65/96/604856596.db2.gz OVWYDNNVWVDSHD-ZMSDIMECSA-N -1 0 327.424 3.830 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)C1(C)C ZINC000669436410 604856744 /nfs/dbraw/zinc/85/67/44/604856744.db2.gz OVWYDNNVWVDSHD-INMHGKMJSA-N -1 0 327.424 3.830 20 0 EHADRM C[C@H](CC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21)c1ccccc1F ZINC000669435690 604856905 /nfs/dbraw/zinc/85/69/05/604856905.db2.gz ORGBOAULCSASPJ-CJNGLKHVSA-N -1 0 341.382 3.924 20 0 EHADRM COc1ccc(NC(=O)[C@H]2CCCc3sccc32)c(C(=O)[O-])c1 ZINC000336874982 604858824 /nfs/dbraw/zinc/85/88/24/604858824.db2.gz ZOBSZPPWRHCSRY-LBPRGKRZSA-N -1 0 331.393 3.514 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@@H]2CCCc3sccc32)c1 ZINC000391214460 604861685 /nfs/dbraw/zinc/86/16/85/604861685.db2.gz RRRPAUDFHSQJLS-GFCCVEGCSA-N -1 0 331.393 3.514 20 0 EHADRM CC1=C(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)CCC1 ZINC000262051765 604877766 /nfs/dbraw/zinc/87/77/66/604877766.db2.gz AKNKERNCXXNAIP-UHFFFAOYSA-N -1 0 325.364 3.742 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc(-c3ccco3)s2)C1 ZINC000833418376 604883088 /nfs/dbraw/zinc/88/30/88/604883088.db2.gz OHMMFTMOZNRMRW-GFCCVEGCSA-N -1 0 347.436 3.971 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2)C1 ZINC000325236407 604883878 /nfs/dbraw/zinc/88/38/78/604883878.db2.gz CKCUJMBYNVCCSM-QGZVFWFLSA-N -1 0 325.408 3.803 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)o1 ZINC000326829715 604886422 /nfs/dbraw/zinc/88/64/22/604886422.db2.gz KSRQXNXXHBNTIC-IJEWVQPXSA-N -1 0 347.455 3.685 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)C[C@H]2CCCc3ccccc32)C1 ZINC000679105046 604896716 /nfs/dbraw/zinc/89/67/16/604896716.db2.gz JDQXEXVOWMOOGE-SJORKVTESA-N -1 0 343.467 3.846 20 0 EHADRM CC1(CNC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)CCCC1 ZINC000828102414 604913229 /nfs/dbraw/zinc/91/32/29/604913229.db2.gz PIAXFUHIHZCLKF-UHFFFAOYSA-N -1 0 340.807 3.505 20 0 EHADRM CC[C@@H](C)C[C@@H](C)NC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000828736477 604921039 /nfs/dbraw/zinc/92/10/39/604921039.db2.gz HUCNAPCPDNYJOE-GHMZBOCLSA-N -1 0 342.823 3.750 20 0 EHADRM C[C@H](C(=O)N(CCCC(=O)[O-])Cc1ccccc1)c1ccsc1 ZINC000262177348 604933822 /nfs/dbraw/zinc/93/38/22/604933822.db2.gz QAFVKTJQQQZQQH-AWEZNQCLSA-N -1 0 331.437 3.745 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1cc2ccccc2[nH]1 ZINC000237950531 604934840 /nfs/dbraw/zinc/93/48/40/604934840.db2.gz FEWCKCCSVQMILN-UHFFFAOYSA-N -1 0 336.391 3.675 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1ccc(Cl)s1 ZINC000237946579 604937674 /nfs/dbraw/zinc/93/76/74/604937674.db2.gz PMRDFFHJDXGHHL-UHFFFAOYSA-N -1 0 337.828 3.909 20 0 EHADRM CCC[C@H](C)[C@H]1CCCN1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000829209303 604953065 /nfs/dbraw/zinc/95/30/65/604953065.db2.gz UIBXEBFQRYATII-WMLDXEAASA-N -1 0 348.443 3.973 20 0 EHADRM C[C@]1(NC(=O)/C=C/c2ccc(Cl)s2)CCCC[C@H]1C(=O)[O-] ZINC000762230973 604954631 /nfs/dbraw/zinc/95/46/31/604954631.db2.gz NCVDPYUHUDLVRD-SMBUJGDBSA-N -1 0 327.833 3.564 20 0 EHADRM COc1ccc2oc(C)c(C(=O)N[C@]3(C)CCCC[C@@H]3C(=O)[O-])c2c1 ZINC000762219602 604960329 /nfs/dbraw/zinc/96/03/29/604960329.db2.gz AZSBDGPCGQBEEL-AUUYWEPGSA-N -1 0 345.395 3.513 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000833482502 604967954 /nfs/dbraw/zinc/96/79/54/604967954.db2.gz FGKCQCCXQSTEAZ-GWCFXTLKSA-N -1 0 346.349 3.565 20 0 EHADRM Cc1cc(C)cc([C@H](C)NC(=O)Nc2nc(CCC(=O)[O-])cs2)c1 ZINC000832875050 604972133 /nfs/dbraw/zinc/97/21/33/604972133.db2.gz OSSIYHFZYNGISV-LBPRGKRZSA-N -1 0 347.440 3.660 20 0 EHADRM CCC[C@@H](C)[C@H]1CCCN1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000829207762 604973482 /nfs/dbraw/zinc/97/34/82/604973482.db2.gz FAPDRLOSHJCICT-DGCLKSJQSA-N -1 0 339.461 3.593 20 0 EHADRM O=C([O-])c1ccc2c(=O)[nH]c(C=Cc3cscc3Cl)nc2c1 ZINC000833325356 604975069 /nfs/dbraw/zinc/97/50/69/604975069.db2.gz OLOYMXAXACSZJO-DUXPYHPUSA-N -1 0 332.768 3.919 20 0 EHADRM CCCN(C(=O)[C@H](C)NC(=O)[O-])[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000833651684 604975539 /nfs/dbraw/zinc/97/55/39/604975539.db2.gz VPOKHOALLHLNLE-UWVGGRQHSA-N -1 0 347.242 3.949 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2c(Cl)ccc(Cl)c2Cl)C1 ZINC000833554355 604975600 /nfs/dbraw/zinc/97/56/00/604975600.db2.gz RTEBNRSLPOQEAR-CYBMUJFWSA-N -1 0 336.602 3.584 20 0 EHADRM CCCCC[C@H]1CCCN1C(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC000829349530 604997608 /nfs/dbraw/zinc/99/76/08/604997608.db2.gz YGTDHZIDURNXMR-HNNXBMFYSA-N -1 0 348.443 3.648 20 0 EHADRM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000833616696 605003588 /nfs/dbraw/zinc/00/35/88/605003588.db2.gz DVLZTVOTDULRNL-ACJLOTCBSA-N -1 0 338.407 3.508 20 0 EHADRM Cc1scc(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)c1C ZINC000833759185 605012098 /nfs/dbraw/zinc/01/20/98/605012098.db2.gz UHZBZNAAZKCJJN-UHFFFAOYSA-N -1 0 341.335 3.917 20 0 EHADRM CCC[C@@H](NC(=O)c1ccc(C)nc1Sc1ccccc1)C(=O)[O-] ZINC000833649453 605023028 /nfs/dbraw/zinc/02/30/28/605023028.db2.gz RUBXUCOPTRIJFA-OAHLLOKOSA-N -1 0 344.436 3.524 20 0 EHADRM C[C@H](OC(=O)c1ccccc1OC(F)(F)F)c1ccc(C(=O)[O-])o1 ZINC000833535239 605078683 /nfs/dbraw/zinc/07/86/83/605078683.db2.gz MRDCBAIFUSRVQS-QMMMGPOBSA-N -1 0 344.241 3.794 20 0 EHADRM CC(C)c1ccc(NC(=O)N2CC[C@H](NC(=O)[O-])C2)c(C(C)C)c1 ZINC000738874898 605083725 /nfs/dbraw/zinc/08/37/25/605083725.db2.gz DWQZZZKMHQBJBG-AWEZNQCLSA-N -1 0 333.432 3.807 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000833422044 605090455 /nfs/dbraw/zinc/09/04/55/605090455.db2.gz SUDSPLLLCVVWEC-UHFFFAOYSA-N -1 0 331.412 3.745 20 0 EHADRM CC(C)(C)CCC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000305908524 605092656 /nfs/dbraw/zinc/09/26/56/605092656.db2.gz CQKGCXWGLWTSBH-UHFFFAOYSA-N -1 0 328.206 3.912 20 0 EHADRM C[C@H]1CC[C@]2(CCN(C(=O)Nc3ccc(N(C)C(=O)[O-])cc3)C2)C1 ZINC000833609079 605092820 /nfs/dbraw/zinc/09/28/20/605092820.db2.gz DXQFHAUJFUFWNI-UGSOOPFHSA-N -1 0 331.416 3.845 20 0 EHADRM CCC(CC)(CNC(=O)N1CC(C)(C)[C@@H]1c1ccccc1)C(=O)[O-] ZINC000833640588 605097597 /nfs/dbraw/zinc/09/75/97/605097597.db2.gz CMZVPNGOMMIDOT-HNNXBMFYSA-N -1 0 332.444 3.670 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CN(C(=O)CC(C)(C)CC(=O)[O-])C2CC2)o1 ZINC000190614990 605099832 /nfs/dbraw/zinc/09/98/32/605099832.db2.gz OZWWKTURCPAHQL-WFASDCNBSA-N -1 0 333.428 3.785 20 0 EHADRM CC1(C)CCc2ccccc2[C@@H]1NC(=O)NCCCCCC(=O)[O-] ZINC000414634157 605103090 /nfs/dbraw/zinc/10/30/90/605103090.db2.gz WWWFNLAPNCWEQK-KRWDZBQOSA-N -1 0 332.444 3.644 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)CC(C)(C)CC(=O)[O-])c1nc2ccccc2[nH]1 ZINC000683303324 605103277 /nfs/dbraw/zinc/10/32/77/605103277.db2.gz ZJCGJEFMPDWZIN-PXAZEXFGSA-N -1 0 345.443 3.657 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)c2ccc(C(=O)[O-])c(F)c2)c2ccccc21 ZINC000833604515 605109353 /nfs/dbraw/zinc/10/93/53/605109353.db2.gz TXMJKPJEVUGWJR-DIFFPNOSSA-N -1 0 327.355 3.892 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1cc(C)n(-c2cccc(F)c2)n1 ZINC000833680407 605124805 /nfs/dbraw/zinc/12/48/05/605124805.db2.gz INTAPHFBICBUEQ-UHFFFAOYSA-N -1 0 343.358 3.786 20 0 EHADRM C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000833548627 605134235 /nfs/dbraw/zinc/13/42/35/605134235.db2.gz QSKSRPVZLQHWHV-JTQLQIEISA-N -1 0 334.322 3.888 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)[C@H](c1ccccc1)C1CC1 ZINC000833680051 605141386 /nfs/dbraw/zinc/14/13/86/605141386.db2.gz BZQMDZGTLCEGFI-QGZVFWFLSA-N -1 0 328.364 3.777 20 0 EHADRM Cc1cc(Cl)ncc1NC(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000830049929 605146552 /nfs/dbraw/zinc/14/65/52/605146552.db2.gz DMSBGTAMIFXVMK-NHYWBVRUSA-N -1 0 347.802 3.627 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)(F)F)C1 ZINC000833601213 605147401 /nfs/dbraw/zinc/14/74/01/605147401.db2.gz KGLOYOTVTFJSNX-VHSXEESVSA-N -1 0 345.317 3.701 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)Nc2cc(C(=O)[O-])c(F)cc2Br)C1 ZINC000833602497 605150226 /nfs/dbraw/zinc/15/02/26/605150226.db2.gz QSPRSSKEXCROIX-HTQZYQBOSA-N -1 0 344.180 3.661 20 0 EHADRM C[C@H]1C[C@@H](C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])CCC1=O ZINC000833588401 605150352 /nfs/dbraw/zinc/15/03/52/605150352.db2.gz HPHVDCBRZJISGU-UWVGGRQHSA-N -1 0 337.441 3.688 20 0 EHADRM COCc1ccc(SCc2cc(C(=O)[O-])cc(C(=O)OC)c2)cc1 ZINC000833725612 605150649 /nfs/dbraw/zinc/15/06/49/605150649.db2.gz BBXNQVZLJSHVBV-UHFFFAOYSA-N -1 0 346.404 3.610 20 0 EHADRM Cc1ccc(C(=O)O[C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)nc1 ZINC000833747862 605151375 /nfs/dbraw/zinc/15/13/75/605151375.db2.gz MGQQJVKPQJIYRX-CYBMUJFWSA-N -1 0 339.269 3.549 20 0 EHADRM CC1(C)CN(C(=O)C2CCC(C(=O)[O-])CC2)c2ccccc2S1 ZINC000833560633 605152840 /nfs/dbraw/zinc/15/28/40/605152840.db2.gz UAXKSKOHKCQKIN-UHFFFAOYSA-N -1 0 333.453 3.795 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)N[C@H]1C[C@H]2CCC(C)(C)c3cccc1c32 ZINC000833468002 605160941 /nfs/dbraw/zinc/16/09/41/605160941.db2.gz KTSOJBVMXVNMQQ-PVUWLOKVSA-N -1 0 344.455 3.695 20 0 EHADRM CC1(C)Cc2ccc(Cl)cc2[C@H]1OC(=O)CCCNC(=O)[O-] ZINC000833562085 605175263 /nfs/dbraw/zinc/17/52/63/605175263.db2.gz GYLOSGXDBQRBQX-CQSZACIVSA-N -1 0 325.792 3.554 20 0 EHADRM CC(C)Cc1ccc(CCCC(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000833494590 605181589 /nfs/dbraw/zinc/18/15/89/605181589.db2.gz UCOVYQNTRRYXJT-UHFFFAOYSA-N -1 0 331.456 3.531 20 0 EHADRM Cc1cc(C(=O)Nc2sc(C)c(C)c2C(=O)[O-])nn1[C@H](C)C1CC1 ZINC000833758222 605202586 /nfs/dbraw/zinc/20/25/86/605202586.db2.gz SCVQGMQATRRRDB-SNVBAGLBSA-N -1 0 347.440 3.791 20 0 EHADRM C[C@@H](OC(=O)c1cccc([C@@H]2CCCOC2)c1)c1ccc(C(=O)[O-])o1 ZINC000833535918 605212576 /nfs/dbraw/zinc/21/25/76/605212576.db2.gz UQWNSYBFFXEHBE-IUODEOHRSA-N -1 0 344.363 3.790 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000833641532 605230490 /nfs/dbraw/zinc/23/04/90/605230490.db2.gz DRPZTJUTKOASQV-UHFFFAOYSA-N -1 0 329.400 3.812 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)c1cnc(-c2ccccc2)s1)C(=O)[O-] ZINC000833428929 605235464 /nfs/dbraw/zinc/23/54/64/605235464.db2.gz CJRMJZACRPTTOA-GFCCVEGCSA-N -1 0 333.409 3.856 20 0 EHADRM COC(=O)Nc1ccc(NCc2cccc3c2N(C(=O)[O-])CC3)cc1 ZINC000828723550 605239649 /nfs/dbraw/zinc/23/96/49/605239649.db2.gz SJUYJMDIHHACDL-UHFFFAOYSA-N -1 0 341.367 3.518 20 0 EHADRM CCCOc1cccc(CC(=O)Nc2ccccc2NC(=O)[O-])c1 ZINC000826939868 605240577 /nfs/dbraw/zinc/24/05/77/605240577.db2.gz YZMBPVQKUGMSIV-UHFFFAOYSA-N -1 0 328.368 3.747 20 0 EHADRM Cc1oc(Cn2c(=O)scc2-c2ccccc2C)cc1C(=O)[O-] ZINC000833753399 605241878 /nfs/dbraw/zinc/24/18/78/605241878.db2.gz TZDLUQBJODPAAT-UHFFFAOYSA-N -1 0 329.377 3.533 20 0 EHADRM Cc1ccc(-c2n[nH]cc2CNc2cccc(CN(C)C(=O)[O-])c2)o1 ZINC000830153905 605246429 /nfs/dbraw/zinc/24/64/29/605246429.db2.gz BRXWMKIJIVXBTP-UHFFFAOYSA-N -1 0 340.383 3.700 20 0 EHADRM CCOc1ccc(CN(C(=O)CC(C)(C)CC(=O)[O-])C(C)C)cc1 ZINC000833663274 605257958 /nfs/dbraw/zinc/25/79/58/605257958.db2.gz AZWYGPIXCAUJFU-UHFFFAOYSA-N -1 0 335.444 3.713 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NC(C)(C)Cc1ccccc1Cl ZINC000190638391 605259254 /nfs/dbraw/zinc/25/92/54/605259254.db2.gz FQCYVEGVHCXGHO-UHFFFAOYSA-N -1 0 325.836 3.668 20 0 EHADRM CC1(c2ccccc2)CCN(C(=O)Cc2ccccc2C(=O)[O-])CC1 ZINC000262771596 605262804 /nfs/dbraw/zinc/26/28/04/605262804.db2.gz LLLXUKPLCMLMET-UHFFFAOYSA-N -1 0 337.419 3.508 20 0 EHADRM C[C@H]1CC[C@@]2(CCN(C(=O)Nc3ccc(NC(=O)[O-])c(F)c3)C2)C1 ZINC000833610820 605283936 /nfs/dbraw/zinc/28/39/36/605283936.db2.gz LUBBNHPUNLYIBK-APPDUMDISA-N -1 0 335.379 3.960 20 0 EHADRM C[C@@]1(NC(=O)CC2CCC(C(F)(F)F)CC2)CCCC[C@@H]1C(=O)[O-] ZINC000262920824 605299933 /nfs/dbraw/zinc/29/99/33/605299933.db2.gz ZHYSJQKHYMTLRF-UXTNIJRTSA-N -1 0 349.393 3.895 20 0 EHADRM CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc(NC(=O)[O-])cc2)CC1 ZINC000833436230 605300129 /nfs/dbraw/zinc/30/01/29/605300129.db2.gz DOVMNANNWFICJK-CYBMUJFWSA-N -1 0 349.431 3.978 20 0 EHADRM C[C@H](Cc1noc(-c2cc(Cl)ccc2Cl)n1)N(C)C(=O)[O-] ZINC000825036187 605303620 /nfs/dbraw/zinc/30/36/20/605303620.db2.gz JIZUKDVQAUWEGO-SSDOTTSWSA-N -1 0 330.171 3.584 20 0 EHADRM C[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000833514376 605309111 /nfs/dbraw/zinc/30/91/11/605309111.db2.gz RVIXTJCJOXXYFR-YGRLFVJLSA-N -1 0 343.345 3.774 20 0 EHADRM C[C@H](OC(=O)CN(C(=O)[O-])c1ccccc1)c1ncc(C(C)(C)C)o1 ZINC000825586658 605317535 /nfs/dbraw/zinc/31/75/35/605317535.db2.gz SKDTXNQKELDRNG-LBPRGKRZSA-N -1 0 346.383 3.761 20 0 EHADRM CSc1ccc(Cl)c(-c2nc(C[C@H](C)N(C)C(=O)[O-])no2)c1 ZINC000829760153 605324076 /nfs/dbraw/zinc/32/40/76/605324076.db2.gz HNUDBRFYPNSQQO-QMMMGPOBSA-N -1 0 341.820 3.653 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(-c2ccccc2)o1)c1cccs1 ZINC000833773270 605334010 /nfs/dbraw/zinc/33/40/10/605334010.db2.gz SOOPOVLHPGNVTL-CYBMUJFWSA-N -1 0 341.388 3.954 20 0 EHADRM O=C([O-])N(CC(=O)N1CC[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000831821151 605366880 /nfs/dbraw/zinc/36/68/80/605366880.db2.gz PNWBEEVZABDGOG-INIZCTEOSA-N -1 0 344.798 3.798 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)C=Cc2ccnc(Cl)c2)c1 ZINC000834261827 605382105 /nfs/dbraw/zinc/38/21/05/605382105.db2.gz OWWMLUKIKYPHHC-DAFODLJHSA-N -1 0 335.722 3.616 20 0 EHADRM C[C@H]1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C[C@H]1F ZINC000833616634 605391049 /nfs/dbraw/zinc/39/10/49/605391049.db2.gz YDCMYGDQLBZQCS-XHDPSFHLSA-N -1 0 334.416 3.688 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@H]2CCCOc3c(F)cccc32)cc1 ZINC000834255754 605405499 /nfs/dbraw/zinc/40/54/99/605405499.db2.gz JODMWFIIDUACBE-HNNXBMFYSA-N -1 0 344.342 3.559 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000833481093 605410959 /nfs/dbraw/zinc/41/09/59/605410959.db2.gz UBHOPCHHACWFGB-IRXDYDNUSA-N -1 0 348.418 3.560 20 0 EHADRM C/C(=C/CN1CCC[C@H]1c1ccc(Br)s1)C(=O)[O-] ZINC000833381887 605431036 /nfs/dbraw/zinc/43/10/36/605431036.db2.gz FPCACBGICHORNV-MBACFSSFSA-N -1 0 330.247 3.678 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000833386179 605463273 /nfs/dbraw/zinc/46/32/73/605463273.db2.gz YBAPYDUKHHUKEU-FMIVXFBMSA-N -1 0 330.409 3.511 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccc(CNc2cccc(C(=O)[O-])c2)cn1 ZINC000789898311 605479776 /nfs/dbraw/zinc/47/97/76/605479776.db2.gz IFNKITRCXPETFT-UHFFFAOYSA-N -1 0 343.383 3.739 20 0 EHADRM O=C([O-])N1CCCN(C(=O)C2CCC(F)(F)CC2)c2ccccc21 ZINC000834104290 605480633 /nfs/dbraw/zinc/48/06/33/605480633.db2.gz QKTHQMWOHPURHX-UHFFFAOYSA-N -1 0 338.354 3.733 20 0 EHADRM O=C([O-])N1CC[C@H](CCC(=O)N2CCCC[C@@H]2c2ccc(F)cc2)C1 ZINC000834073036 605495681 /nfs/dbraw/zinc/49/56/81/605495681.db2.gz BRCLUCNRBYVESQ-WMLDXEAASA-N -1 0 348.418 3.659 20 0 EHADRM O=C([O-])N1CC[C@@H](CCC(=O)N2CCCC[C@@H]2c2ccc(F)cc2)C1 ZINC000834073032 605495738 /nfs/dbraw/zinc/49/57/38/605495738.db2.gz BRCLUCNRBYVESQ-RHSMWYFYSA-N -1 0 348.418 3.659 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)N(c1ncc(C(=O)[O-])s1)C1CC1 ZINC000833383266 605506036 /nfs/dbraw/zinc/50/60/36/605506036.db2.gz JHSPMMXHAOBBSL-FMIVXFBMSA-N -1 0 342.420 3.749 20 0 EHADRM COc1cc(NCc2ccc(NC(=O)[O-])nc2)cc(OC)c1C(C)C ZINC000833887695 605511160 /nfs/dbraw/zinc/51/11/60/605511160.db2.gz KDAHKLOZECZWBJ-UHFFFAOYSA-N -1 0 345.399 3.924 20 0 EHADRM O=C([O-])Nc1cccc(OC(=O)c2csc(-c3ccccn3)n2)c1 ZINC000834268343 605529942 /nfs/dbraw/zinc/52/99/42/605529942.db2.gz LAMAKBKCXVPUEJ-UHFFFAOYSA-N -1 0 341.348 3.514 20 0 EHADRM CCCN(C(=O)Nc1ccc(C)c(C)c1)C1CCN(C(=O)[O-])CC1 ZINC000826876255 605539283 /nfs/dbraw/zinc/53/92/83/605539283.db2.gz TVJDIYNJLKZYBV-UHFFFAOYSA-N -1 0 333.432 3.690 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000834270074 605540941 /nfs/dbraw/zinc/54/09/41/605540941.db2.gz JZTJTPVRGVHGBI-UHFFFAOYSA-N -1 0 346.293 3.843 20 0 EHADRM O=C([O-])N(CCNC(=O)Nc1cc(C(F)F)ccc1Cl)C1CC1 ZINC000831684503 605557023 /nfs/dbraw/zinc/55/70/23/605557023.db2.gz CPNJRVKDKAHKAA-UHFFFAOYSA-N -1 0 347.749 3.542 20 0 EHADRM CS[C@@H](C)C(=O)Nc1cc(Br)cc(C)c1NC(=O)[O-] ZINC000833894194 605567095 /nfs/dbraw/zinc/56/70/95/605567095.db2.gz WPCYRORDMKXRIB-ZETCQYMHSA-N -1 0 347.234 3.537 20 0 EHADRM C[C@@H](NC(=O)C[C@H](NC(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000825102735 605567457 /nfs/dbraw/zinc/56/74/57/605567457.db2.gz WDURQRFPHDKUIB-BZNIZROVSA-N -1 0 348.349 3.541 20 0 EHADRM O=C([O-])N[C@@H](CC(=O)N1CCC[C@@H]1c1cccs1)c1ccccc1 ZINC000832094720 605569373 /nfs/dbraw/zinc/56/93/73/605569373.db2.gz WHSNDRXBTHORPF-LSDHHAIUSA-N -1 0 344.436 3.811 20 0 EHADRM Cc1cc(C(=O)NCCSCc2ccccc2)ccc1NC(=O)[O-] ZINC000829951257 605583549 /nfs/dbraw/zinc/58/35/49/605583549.db2.gz ZBEXAHBUKHNNFE-UHFFFAOYSA-N -1 0 344.436 3.748 20 0 EHADRM Cc1ccccc1OCCN(C)C(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000829914611 605585466 /nfs/dbraw/zinc/58/54/66/605585466.db2.gz PYYHVJQSTOAJLC-UHFFFAOYSA-N -1 0 342.395 3.544 20 0 EHADRM CC1(C)CCC[C@@H](CC(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)C1 ZINC000833560595 605622234 /nfs/dbraw/zinc/62/22/34/605622234.db2.gz IGIBHWUCBXSUSE-ZDUSSCGKSA-N -1 0 344.455 3.880 20 0 EHADRM Cc1cc(C(=O)NCc2ccc([C@H]3C[C@H]3C)o2)ccc1NC(=O)[O-] ZINC000829956657 605628336 /nfs/dbraw/zinc/62/83/36/605628336.db2.gz KFBIOJUUKLJLNM-YGRLFVJLSA-N -1 0 328.368 3.731 20 0 EHADRM Cc1cc(C(=O)NC[C@@H](C)c2ccc(F)cc2)ccc1NC(=O)[O-] ZINC000829947619 605639833 /nfs/dbraw/zinc/63/98/33/605639833.db2.gz ZAJAFNKDFMMEDW-GFCCVEGCSA-N -1 0 330.359 3.758 20 0 EHADRM Cc1cc(C(=O)Nc2ccc3c(c2)CCCN3C)ccc1NC(=O)[O-] ZINC000829966245 605642110 /nfs/dbraw/zinc/64/21/10/605642110.db2.gz VMJKOFZALCFKTQ-UHFFFAOYSA-N -1 0 339.395 3.720 20 0 EHADRM C[C@@H](c1ccco1)N(C(=O)CN(C(=O)[O-])c1ccccc1)C1CC1 ZINC000825645487 605663184 /nfs/dbraw/zinc/66/31/84/605663184.db2.gz PHSXXCHCSCWAGE-ZDUSSCGKSA-N -1 0 328.368 3.516 20 0 EHADRM CCN1CCc2ccc(NC(=O)c3ccc(NC(=O)[O-])c(C)c3)cc21 ZINC000827236846 605673209 /nfs/dbraw/zinc/67/32/09/605673209.db2.gz KMDNJXNRXJNJHK-UHFFFAOYSA-N -1 0 339.395 3.720 20 0 EHADRM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000833606540 605674067 /nfs/dbraw/zinc/67/40/67/605674067.db2.gz QYNQWMOPVNIFPH-ONGXEEELSA-N -1 0 330.306 3.580 20 0 EHADRM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000833603454 605675697 /nfs/dbraw/zinc/67/56/97/605675697.db2.gz BEDPNPXQTRWJCP-DGCLKSJQSA-N -1 0 343.345 3.507 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000740041810 605701274 /nfs/dbraw/zinc/70/12/74/605701274.db2.gz VGLCPBXIFWKNET-AWEZNQCLSA-N -1 0 342.370 3.620 20 0 EHADRM CC(C)COCCC(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833488939 605712866 /nfs/dbraw/zinc/71/28/66/605712866.db2.gz RXPIKXKODHHEBI-CQSZACIVSA-N -1 0 349.210 3.725 20 0 EHADRM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccccc1C(=O)[O-] ZINC000820228899 605714587 /nfs/dbraw/zinc/71/45/87/605714587.db2.gz WYYZDEFPVFDPDT-VHSXEESVSA-N -1 0 330.306 3.580 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)c1ccc([C@H]2CCCOC2)cc1 ZINC000834276083 605752401 /nfs/dbraw/zinc/75/24/01/605752401.db2.gz XQZURWGLMUKMFV-HNNXBMFYSA-N -1 0 340.379 3.923 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@H](C(=O)Nc2ncccc2-c2ccccc2)C1 ZINC000834167919 605762354 /nfs/dbraw/zinc/76/23/54/605762354.db2.gz DTAKTUGOORUXIV-GJZGRUSLSA-N -1 0 339.395 3.514 20 0 EHADRM CC(C)N1CCC[C@@H](SCc2cc(C(=O)[O-])ccc2Cl)C1=O ZINC000833498074 605787947 /nfs/dbraw/zinc/78/79/47/605787947.db2.gz CGMYUWDAMCXVAT-CQSZACIVSA-N -1 0 341.860 3.671 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC000833545140 605797421 /nfs/dbraw/zinc/79/74/21/605797421.db2.gz DSCKHHCOXXEXGM-LBPRGKRZSA-N -1 0 348.395 3.680 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)OCc2cccc3cccnc32)c1 ZINC000834268801 605799622 /nfs/dbraw/zinc/79/96/22/605799622.db2.gz MJQRJNRDLWEXCZ-UHFFFAOYSA-N -1 0 336.347 3.611 20 0 EHADRM C[C@H](C(=O)Oc1ccc(CC(=O)[O-])cc1F)c1ccc(Cl)s1 ZINC000833409452 605803333 /nfs/dbraw/zinc/80/33/33/605803333.db2.gz MFHKMZGUCCMSFB-QMMMGPOBSA-N -1 0 342.775 3.877 20 0 EHADRM O=C([O-])N[C@H]1C[C@H](NCc2nc(C3CC3)cs2)c2ccccc21 ZINC000834158069 605804866 /nfs/dbraw/zinc/80/48/66/605804866.db2.gz LNXCHOZSRKVKJN-KBPBESRZSA-N -1 0 329.425 3.564 20 0 EHADRM Cc1nc(C2(NCc3cc(C(=O)[O-])ccc3F)CCCCCC2)no1 ZINC000833755207 605841890 /nfs/dbraw/zinc/84/18/90/605841890.db2.gz DIZUXSYXPLXPDJ-UHFFFAOYSA-N -1 0 347.390 3.555 20 0 EHADRM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cc(C(=O)[O-])no1 ZINC000833547197 605867123 /nfs/dbraw/zinc/86/71/23/605867123.db2.gz RBRIBIRVXKHRCD-ZETCQYMHSA-N -1 0 343.166 3.513 20 0 EHADRM O=C([O-])N1CCC2(C[C@H]2C(=O)N2CCCCC[C@H]2c2ccco2)CC1 ZINC000834086571 605904145 /nfs/dbraw/zinc/90/41/45/605904145.db2.gz DCJCJQNOZFLRQO-GJZGRUSLSA-N -1 0 346.427 3.503 20 0 EHADRM O=C([O-])N[C@H](C(=O)Nc1ccc(-c2ccc[nH]2)cc1)c1ccccc1 ZINC000834256399 605978219 /nfs/dbraw/zinc/97/82/19/605978219.db2.gz NLSZTIHMXPJZSY-KRWDZBQOSA-N -1 0 335.363 3.629 20 0 EHADRM O=C([O-])NCCCCC(=O)Nc1ncc(C2CCCCC2)s1 ZINC000834240300 605987106 /nfs/dbraw/zinc/98/71/06/605987106.db2.gz HBAHJSFBLOIGCZ-UHFFFAOYSA-N -1 0 325.434 3.567 20 0 EHADRM O=C([O-])N[C@H](CC(F)F)C(=O)Nc1ccccc1-c1ccccc1 ZINC000834132359 606002978 /nfs/dbraw/zinc/00/29/78/606002978.db2.gz DXOKHNBPPUVEQZ-CQSZACIVSA-N -1 0 334.322 3.584 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)c1cc(Cl)c(Cl)n1C ZINC000833906760 606005797 /nfs/dbraw/zinc/00/57/97/606005797.db2.gz ZSQDTJQWVJGJOY-UHFFFAOYSA-N -1 0 342.182 3.983 20 0 EHADRM O=C([O-])Nc1cnc(C(=O)OC(c2ccccc2)c2ccccc2)cn1 ZINC000834277390 606013188 /nfs/dbraw/zinc/01/31/88/606013188.db2.gz BWZMTIHGGMNAJA-UHFFFAOYSA-N -1 0 349.346 3.513 20 0 EHADRM O=C([O-])N[C@H](CC(F)F)C(=O)Nc1cccc(Nc2ccccc2)c1 ZINC000834135127 606046776 /nfs/dbraw/zinc/04/67/76/606046776.db2.gz WGHKRRRASBYWFO-CQSZACIVSA-N -1 0 349.337 3.660 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)Nc1c(F)cccc1NC1CC1 ZINC000834274408 606066326 /nfs/dbraw/zinc/06/63/26/606066326.db2.gz LJYNJBOMAYMFKA-UHFFFAOYSA-N -1 0 343.358 3.671 20 0 EHADRM CC(C)CSCCNC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000833795755 606084782 /nfs/dbraw/zinc/08/47/82/606084782.db2.gz VHLQJOKVXJMPLG-UHFFFAOYSA-N -1 0 330.837 3.549 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)OCc1cc2ccccc2o1 ZINC000834275213 606088979 /nfs/dbraw/zinc/08/89/79/606088979.db2.gz SFDHADUNYLSLSZ-UHFFFAOYSA-N -1 0 325.320 3.809 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCCSCC(C)C ZINC000833906902 606091169 /nfs/dbraw/zinc/09/11/69/606091169.db2.gz QWDKZIZWVWAQSZ-UHFFFAOYSA-N -1 0 325.434 3.596 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N[C@H]2CCCOc3cc(F)ccc32)c1 ZINC000834264119 606094283 /nfs/dbraw/zinc/09/42/83/606094283.db2.gz ZVGBGWCCEOIRSL-HNNXBMFYSA-N -1 0 344.342 3.559 20 0 EHADRM Fc1cc(Oc2snc(Cl)c2-c2nnn[n-]2)ccc1Cl ZINC000826372641 608194913 /nfs/dbraw/zinc/19/49/13/608194913.db2.gz GLUFYIMKIJWBOG-UHFFFAOYSA-N -1 0 332.147 3.561 20 0 EHADRM CCC(CC)Nc1cc(I)cc(C(=O)[O-])c1 ZINC000309303456 963338343 /nfs/dbraw/zinc/33/83/43/963338343.db2.gz WQDKPJHEGDRYHC-UHFFFAOYSA-N -1 0 333.169 3.590 20 0 EHADRM O=C([O-])C1(NC(=O)c2sc3cc(Cl)ccc3c2Cl)CCC1 ZINC000164829582 939032858 /nfs/dbraw/zinc/03/28/58/939032858.db2.gz MQNFXOVHJGGXIX-UHFFFAOYSA-N -1 0 344.219 3.945 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1coc2ccccc21)c1ccc(Cl)c(F)c1 ZINC000181906387 939034342 /nfs/dbraw/zinc/03/43/42/939034342.db2.gz VKODJEBEWHGUFA-HNNXBMFYSA-N -1 0 347.729 3.781 20 0 EHADRM Cc1cscc1C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000191480688 939037757 /nfs/dbraw/zinc/03/77/57/939037757.db2.gz WIUUZFCSURVTPJ-INIZCTEOSA-N -1 0 325.389 3.765 20 0 EHADRM O=C([O-])[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc2ccccc2c1 ZINC000191492487 939039141 /nfs/dbraw/zinc/03/91/41/939039141.db2.gz BSNWBLIVFKAZPP-MRXNPFEDSA-N -1 0 347.361 3.907 20 0 EHADRM CC(C)c1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000684742126 939043573 /nfs/dbraw/zinc/04/35/73/939043573.db2.gz OBZHPBVGBAWNGM-MRXNPFEDSA-N -1 0 330.359 3.897 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)NC1(C(=O)[O-])CCC(C)CC1 ZINC000236678300 939044139 /nfs/dbraw/zinc/04/41/39/939044139.db2.gz BQGJYTIEBNVXHE-BIWSTMPVSA-N -1 0 335.419 3.544 20 0 EHADRM CCSCc1ccc(C(=O)NC2(C(=O)[O-])CCC(C)CC2)cc1 ZINC000236861668 939045177 /nfs/dbraw/zinc/04/51/77/939045177.db2.gz PCVABMRGKOEGQW-UHFFFAOYSA-N -1 0 335.469 3.703 20 0 EHADRM C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NC1(C(=O)[O-])CCC1 ZINC000237347654 939046609 /nfs/dbraw/zinc/04/66/09/939046609.db2.gz APSLKAQWPMOVOV-MRVPVSSYSA-N -1 0 348.251 3.598 20 0 EHADRM CCc1cc(NC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)ccc1C ZINC000684747631 939050086 /nfs/dbraw/zinc/05/00/86/939050086.db2.gz CRBBXRUECUHNHO-MRXNPFEDSA-N -1 0 330.359 3.644 20 0 EHADRM Cc1cc2occ(CC(=O)NC3(C(=O)[O-])CCCCCC3)c2cc1C ZINC000746369810 939064504 /nfs/dbraw/zinc/06/45/04/939064504.db2.gz XKFHQONYRQMCQL-UHFFFAOYSA-N -1 0 343.423 3.886 20 0 EHADRM O=C([O-])[C@@H](NC(=O)/C=C/c1ccccc1F)c1ccc2ccccc2c1 ZINC000762207359 939071749 /nfs/dbraw/zinc/07/17/49/939071749.db2.gz QTCIAFMPSSPAGT-SGWGQVFISA-N -1 0 349.361 3.934 20 0 EHADRM C[C@H](CC(=O)N[C@@](C)(C(=O)[O-])c1ccc(F)cc1)c1cccc(F)c1 ZINC000263158315 939105263 /nfs/dbraw/zinc/10/52/63/939105263.db2.gz JNIPLXLUXBVPSA-CWTRNNRKSA-N -1 0 347.361 3.575 20 0 EHADRM C[C@@](NC(=O)Nc1ccc(F)c(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC000320454225 939123664 /nfs/dbraw/zinc/12/36/64/939123664.db2.gz KGQAPZVOAPHEAP-INIZCTEOSA-N -1 0 336.750 3.601 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1ccc(C(F)(F)F)cc1)c1cccs1 ZINC000322553751 939124654 /nfs/dbraw/zinc/12/46/54/939124654.db2.gz BQKXJLQTVUZRFV-NSHDSACASA-N -1 0 344.314 3.714 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1ccc(C(F)(F)F)cc1)c1cccs1 ZINC000322553745 939124871 /nfs/dbraw/zinc/12/48/71/939124871.db2.gz BQKXJLQTVUZRFV-LLVKDONJSA-N -1 0 344.314 3.714 20 0 EHADRM Cc1ccc(NC(=O)N[C@H](C(=O)[O-])c2cccc(C)c2C)c(C)c1 ZINC000788320783 939150302 /nfs/dbraw/zinc/15/03/02/939150302.db2.gz FZYDJQSWXIXCOD-KRWDZBQOSA-N -1 0 326.396 3.868 20 0 EHADRM C[C@@H](CC(=O)NC1(C(=O)[O-])CCC(C)CC1)c1ccc(F)cc1F ZINC000431785892 939157182 /nfs/dbraw/zinc/15/71/82/939157182.db2.gz BBTJMAMKCQAVHU-LASWEOPPSA-N -1 0 339.382 3.608 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc2c(c1)CCC2)c1ccc2ccccc2c1 ZINC000431873251 939165845 /nfs/dbraw/zinc/16/58/45/939165845.db2.gz SQJXMWQPRAYYLA-HXUWFJFHSA-N -1 0 345.398 3.884 20 0 EHADRM O=C([O-])C1(NC(=O)c2ccc(Oc3ccccc3)o2)CCCCCC1 ZINC000431970723 939170339 /nfs/dbraw/zinc/17/03/39/939170339.db2.gz DADLTJKEMYWPEY-UHFFFAOYSA-N -1 0 343.379 3.979 20 0 EHADRM Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](C(=O)[O-])c2cccs2)c1 ZINC000448988530 939205137 /nfs/dbraw/zinc/20/51/37/939205137.db2.gz FHUUZKVTRSZHBS-QGZVFWFLSA-N -1 0 347.436 3.501 20 0 EHADRM Cc1ccc(C(C)C)c(OCC(=O)N[C@H](C(=O)[O-])c2cccs2)c1 ZINC000448988529 939205177 /nfs/dbraw/zinc/20/51/77/939205177.db2.gz FHUUZKVTRSZHBS-KRWDZBQOSA-N -1 0 347.436 3.501 20 0 EHADRM O=C([O-])[C@H](NC(=O)C[C@@H]1C=CCC1)c1ccc(Cl)cc1Cl ZINC000449001374 939207225 /nfs/dbraw/zinc/20/72/25/939207225.db2.gz KQRPCCCZCQQALB-YMTOWFKASA-N -1 0 328.195 3.592 20 0 EHADRM Cc1cccc([C@H](NC(=O)[C@@H]2CCCc3sccc32)C(=O)[O-])c1C ZINC000455936263 939215418 /nfs/dbraw/zinc/21/54/18/939215418.db2.gz UHBFMPYUDOCHAJ-WBVHZDCISA-N -1 0 343.448 3.727 20 0 EHADRM C/C(=C/C(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000836750254 939224094 /nfs/dbraw/zinc/22/40/94/939224094.db2.gz HULJTQHINIRUTR-GQSKFBFOSA-N -1 0 342.222 3.766 20 0 EHADRM CC[C@@](NC(=O)NCCC1=CCCCC1)(C(=O)[O-])c1ccccc1 ZINC000517067712 939246973 /nfs/dbraw/zinc/24/69/73/939246973.db2.gz LALULDUFKJEDFW-IBGZPJMESA-N -1 0 330.428 3.566 20 0 EHADRM Cc1ccc(F)c(NC(=O)N[C@H](C(=O)[O-])c2ccc(F)c(C)c2)c1 ZINC000517273054 939248120 /nfs/dbraw/zinc/24/81/20/939248120.db2.gz NLTUAGFFQGIDTH-HNNXBMFYSA-N -1 0 334.322 3.529 20 0 EHADRM CC(C)(CC(=O)N[C@@H](C(=O)[O-])c1ccccc1F)c1ccc(F)cc1 ZINC000864126307 939249138 /nfs/dbraw/zinc/24/91/38/939249138.db2.gz GKRGXRVJGDVUMI-QGZVFWFLSA-N -1 0 347.361 3.575 20 0 EHADRM CCOc1ccc(NC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)c(C)c1 ZINC000900331051 939275561 /nfs/dbraw/zinc/27/55/61/939275561.db2.gz IOMOHLUKAYXAMW-IBGZPJMESA-N -1 0 342.395 3.515 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2cccc(CC(F)(F)F)c2)CCCCC1 ZINC000554604040 939300630 /nfs/dbraw/zinc/30/06/30/939300630.db2.gz FWMOWNCDZMLILP-UHFFFAOYSA-N -1 0 344.333 3.700 20 0 EHADRM Cc1cc([C@H](NC(=O)Nc2ccc(Cl)cc2)C(=O)[O-])ccc1F ZINC000555760000 939302240 /nfs/dbraw/zinc/30/22/40/939302240.db2.gz CPVZHVLMCLLQGU-AWEZNQCLSA-N -1 0 336.750 3.735 20 0 EHADRM CN(Cc1ccccc1)C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000560079157 939318037 /nfs/dbraw/zinc/31/80/37/939318037.db2.gz WMPVHQSWWCKSOF-IBGZPJMESA-N -1 0 348.402 3.807 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2ccc(OC3CCCC3)cc2)CCCC1 ZINC000563754035 939340729 /nfs/dbraw/zinc/34/07/29/939340729.db2.gz JTDMKMMTHRKTSZ-UHFFFAOYSA-N -1 0 332.400 3.527 20 0 EHADRM CC(C)OCc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccsc2)c1 ZINC000564154741 939343393 /nfs/dbraw/zinc/34/33/93/939343393.db2.gz CIAOWIJZCMWQQW-HNNXBMFYSA-N -1 0 348.424 3.621 20 0 EHADRM CCc1cccc(NC(=O)N[C@H](C(=O)[O-])c2cccc(C)c2C)c1 ZINC000569421008 939374801 /nfs/dbraw/zinc/37/48/01/939374801.db2.gz JSHRXRNZLKNROQ-KRWDZBQOSA-N -1 0 326.396 3.813 20 0 EHADRM CC(F)(F)c1cccc(NC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)c1 ZINC000570258055 939382021 /nfs/dbraw/zinc/38/20/21/939382021.db2.gz AASVZNDYXNOXKE-CQSZACIVSA-N -1 0 340.370 3.953 20 0 EHADRM C[C@H](NC(=O)N[C@@](C)(C(=O)[O-])C1CC1)c1cccc(Cl)c1Cl ZINC000570956773 939387711 /nfs/dbraw/zinc/38/77/11/939387711.db2.gz JVSAIKSPYAGORC-VXJOIVPMSA-N -1 0 345.226 3.607 20 0 EHADRM CC(C)(C)c1nc2ccc(NC(=O)N[C@@H](C(=O)[O-])C3CC3)cc2s1 ZINC000575200319 939732418 /nfs/dbraw/zinc/73/24/18/939732418.db2.gz AEUJWBHGQMHXDU-CYBMUJFWSA-N -1 0 347.440 3.579 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)N[C@H](C(=O)[O-])c1ccsc1 ZINC000576362203 939738583 /nfs/dbraw/zinc/73/85/83/939738583.db2.gz WVABZCMEEDZSBC-YGRLFVJLSA-N -1 0 337.828 3.522 20 0 EHADRM O=C([O-])[C@H](NC(=O)C1CCC(F)(F)CC1)c1cccc2ccccc21 ZINC000910936118 939759767 /nfs/dbraw/zinc/75/97/67/939759767.db2.gz MFGZVAONJJCWFK-MRXNPFEDSA-N -1 0 347.361 3.907 20 0 EHADRM O=C([O-])[C@H](NC(=O)CC1CCSCC1)c1cccc2ccccc21 ZINC000910936526 939760343 /nfs/dbraw/zinc/76/03/43/939760343.db2.gz OJXACBWINOIBEG-GOSISDBHSA-N -1 0 343.448 3.615 20 0 EHADRM CCOCCCCCC(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC000910939082 939762890 /nfs/dbraw/zinc/76/28/90/939762890.db2.gz ZAJWHYSFWAQEAY-IBGZPJMESA-N -1 0 343.423 3.679 20 0 EHADRM CCO[C@@H]1C[C@](NC(=O)Nc2ccccc2C(C)C)(C(=O)[O-])C1(C)C ZINC000581287884 939777144 /nfs/dbraw/zinc/77/71/44/939777144.db2.gz SLKGMQDPTLXGHD-BEFAXECRSA-N -1 0 348.443 3.590 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1 ZINC000582463339 939784676 /nfs/dbraw/zinc/78/46/76/939784676.db2.gz ACAVLTLYNVOHGM-CRAIPNDOSA-N -1 0 340.423 3.798 20 0 EHADRM CC[C@](NC(=O)NCc1cccc(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC000583043207 939788476 /nfs/dbraw/zinc/78/84/76/939788476.db2.gz BLIOGCOYUXKTAY-GOSISDBHSA-N -1 0 346.814 3.529 20 0 EHADRM CSCC1(CC(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)CC1 ZINC000593696099 939801978 /nfs/dbraw/zinc/80/19/78/939801978.db2.gz CPBWGMAWYAHMDW-QGZVFWFLSA-N -1 0 343.448 3.615 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)c1ccccc1F ZINC000630146068 939812629 /nfs/dbraw/zinc/81/26/29/939812629.db2.gz IBYMICBDSYWSKY-RKVPGOIHSA-N -1 0 341.382 3.652 20 0 EHADRM C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)[C@H](C(=O)[O-])C3CC3)c2)C1 ZINC000656849495 939847328 /nfs/dbraw/zinc/84/73/28/939847328.db2.gz LAUFZAMOKSUYIJ-JEBQAFNWSA-N -1 0 345.439 3.831 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@H]1CCC[C@H]1Cc1ccccc1)c1cccs1 ZINC000659150792 939847911 /nfs/dbraw/zinc/84/79/11/939847911.db2.gz DVRHMRLXCDHRSM-YQQAZPJKSA-N -1 0 343.448 3.649 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)(C(=O)[O-])CC1 ZINC000659179634 939849719 /nfs/dbraw/zinc/84/97/19/939849719.db2.gz JNXPIHQQTKMAEG-MCYUEQNJSA-N -1 0 335.366 3.505 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1ccc2oc(C3CC3)nc2c1)C1CCCC1 ZINC000663073191 939852626 /nfs/dbraw/zinc/85/26/26/939852626.db2.gz ZHBYFVYQJUEGKK-HNNXBMFYSA-N -1 0 328.368 3.535 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N[C@]1(C(=O)[O-])CCc2ccccc21 ZINC000675991834 939867940 /nfs/dbraw/zinc/86/79/40/939867940.db2.gz UMNKCJIQXPPDOY-OAQYLSRUSA-N -1 0 349.386 3.706 20 0 EHADRM CC[C@@H](CC(=O)N[C@H](C(=O)[O-])c1ccccc1F)c1ccc(C)cc1 ZINC000678988872 939869518 /nfs/dbraw/zinc/86/95/18/939869518.db2.gz OWBLDJWYZZXXMO-LIRRHRJNSA-N -1 0 343.398 3.960 20 0 EHADRM CC(C)(C)c1ccc(CNC(=O)N[C@@H](C(=O)[O-])c2cccs2)cc1 ZINC000684718802 939872116 /nfs/dbraw/zinc/87/21/16/939872116.db2.gz NCWSNUZZTLUYCS-OAHLLOKOSA-N -1 0 346.452 3.671 20 0 EHADRM Cc1cc(C)c(NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c(Cl)c1 ZINC001600163453 970771523 /nfs/dbraw/zinc/77/15/23/970771523.db2.gz QQBUZXDCLLMHNE-QWHCGFSZSA-N -1 0 336.819 3.531 20 0 EHADRM O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)c1cccc(Cl)n1 ZINC000321718726 970800692 /nfs/dbraw/zinc/80/06/92/970800692.db2.gz YIZBQYFGWPFMEW-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)Nc1ccc(Cl)cc1)CC2 ZINC000321856852 970817399 /nfs/dbraw/zinc/81/73/99/970817399.db2.gz DNEDRTIGKXBUTK-UHFFFAOYSA-N -1 0 330.771 3.628 20 0 EHADRM CCCc1cc(C(=O)Nc2ccc(OC)cc2C(=O)[O-])sc1C ZINC000321945691 970828678 /nfs/dbraw/zinc/82/86/78/970828678.db2.gz NEXKLXHFXWWWEL-UHFFFAOYSA-N -1 0 333.409 3.968 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)NCc2ccc(Cl)cc2)cc1F ZINC000322209846 970860266 /nfs/dbraw/zinc/86/02/66/970860266.db2.gz VIZVEQWBJZBKSE-UHFFFAOYSA-N -1 0 340.713 3.638 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N[C@H]2C[C@H]2c2ccccc2)c1 ZINC000322400875 970882855 /nfs/dbraw/zinc/88/28/55/970882855.db2.gz UYPRGCZFBABNGU-GJZGRUSLSA-N -1 0 330.771 3.716 20 0 EHADRM Cn1ccc(C(=O)NC2(CC(=O)[O-])CCCCC2)c1-c1ccccc1 ZINC001600972666 970890630 /nfs/dbraw/zinc/89/06/30/970890630.db2.gz PYCBYSXOYQKGOK-UHFFFAOYSA-N -1 0 340.423 3.600 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)Nc2cc(F)cc(Cl)c2)c1 ZINC000322567159 970903820 /nfs/dbraw/zinc/90/38/20/970903820.db2.gz GBTDWORSLSAGRV-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1sc2ccccc2c1Cl ZINC000322635368 970913537 /nfs/dbraw/zinc/91/35/37/970913537.db2.gz SFIDLBWNDJOSIJ-BHDSKKPTSA-N -1 0 349.839 3.880 20 0 EHADRM Nc1c(Cl)cc(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1Cl ZINC001601210635 970955175 /nfs/dbraw/zinc/95/51/75/970955175.db2.gz LICOHJHBQOBOOY-RQOWECAXSA-N -1 0 341.150 3.519 20 0 EHADRM C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000323031618 970960541 /nfs/dbraw/zinc/96/05/41/970960541.db2.gz WWVJFKUJDVANOC-VIFPVBQESA-N -1 0 337.734 3.583 20 0 EHADRM N#Cc1ccc(CN2C[C@H](CC(=O)[O-])c3ccccc32)c(Cl)c1 ZINC000323145651 970970041 /nfs/dbraw/zinc/97/00/41/970970041.db2.gz GPXFHJDGTMFAQN-AWEZNQCLSA-N -1 0 326.783 3.790 20 0 EHADRM O=C([O-])C1CCC(NC(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC001611328815 970994632 /nfs/dbraw/zinc/99/46/32/970994632.db2.gz BQYKXZXQQWCHLK-UHFFFAOYSA-N -1 0 334.174 3.506 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)CCOc1cccc(C)c1C ZINC000323405095 971000807 /nfs/dbraw/zinc/00/08/07/971000807.db2.gz LMZFDNMGYXIEOO-UHFFFAOYSA-N -1 0 333.409 3.779 20 0 EHADRM C[C@H]1CCC[C@@H](NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC000323563865 971016383 /nfs/dbraw/zinc/01/63/83/971016383.db2.gz IXCQHSFRSBLRLD-VHSXEESVSA-N -1 0 326.343 3.753 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)c2cccc(F)c2Sc2ccccc2)C1 ZINC001601827918 971058366 /nfs/dbraw/zinc/05/83/66/971058366.db2.gz UIZUTSUBTIQWTH-LBPRGKRZSA-N -1 0 345.395 3.524 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)COc1cccc(C(C)C)c1 ZINC000324056514 971078538 /nfs/dbraw/zinc/07/85/38/971078538.db2.gz VUPDMIYSAKAPHD-UHFFFAOYSA-N -1 0 327.380 3.834 20 0 EHADRM CC(C)COc1cccc(C(=O)Nc2ccc(F)cc2C(=O)[O-])c1 ZINC000324123746 971086722 /nfs/dbraw/zinc/08/67/22/971086722.db2.gz QNVBMYLPOUQXHP-UHFFFAOYSA-N -1 0 331.343 3.811 20 0 EHADRM O=C([O-])CC1(NC(=O)CCSCc2ccccc2)CCCCC1 ZINC001601926835 971088666 /nfs/dbraw/zinc/08/86/66/971088666.db2.gz LUYHHMDXBGHQLA-UHFFFAOYSA-N -1 0 335.469 3.604 20 0 EHADRM COc1cc(COc2cc(C(=O)[O-])ccc2C)ccc1OC(F)F ZINC000324505406 971126753 /nfs/dbraw/zinc/12/67/53/971126753.db2.gz LQBTWJUGDPTUFQ-UHFFFAOYSA-N -1 0 338.306 3.882 20 0 EHADRM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000324547302 971131529 /nfs/dbraw/zinc/13/15/29/971131529.db2.gz LFTVCFBRPAXQAN-LBPRGKRZSA-N -1 0 339.382 3.909 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CC[C@@H]3CCCC[C@H]3C2)c(F)cc1F ZINC000324655090 971144309 /nfs/dbraw/zinc/14/43/09/971144309.db2.gz CVMQCPZRQZPDTJ-QWRGUYRKSA-N -1 0 338.354 3.707 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1cc2ccc(F)cc2s1 ZINC000325189589 971192576 /nfs/dbraw/zinc/19/25/76/971192576.db2.gz CEWSAGNZDXNXLF-UHFFFAOYSA-N -1 0 341.363 3.942 20 0 EHADRM CCCCc1ccc(C(=O)NCc2ccccc2CC(=O)[O-])cc1 ZINC000325236792 971195995 /nfs/dbraw/zinc/19/59/95/971195995.db2.gz UCAOWTMMFAYOLS-UHFFFAOYSA-N -1 0 325.408 3.586 20 0 EHADRM O=C([O-])c1cccc(CNCC(F)(F)c2cc(F)cc(F)c2)c1 ZINC001602437462 971196990 /nfs/dbraw/zinc/19/69/90/971196990.db2.gz SJQVMESSBGICPX-UHFFFAOYSA-N -1 0 327.277 3.545 20 0 EHADRM CC(C)(C)C1CCN(C(=O)Nc2cccc(CCC(=O)[O-])c2)CC1 ZINC000325416883 971213894 /nfs/dbraw/zinc/21/38/94/971213894.db2.gz VRWNHTRVBNPBNL-UHFFFAOYSA-N -1 0 332.444 3.994 20 0 EHADRM COc1ccc(NC(=O)c2csc3c2CC[C@@H](C)C3)c(C(=O)[O-])c1 ZINC000325404797 971212747 /nfs/dbraw/zinc/21/27/47/971212747.db2.gz IEXXHYVALUDQMB-SNVBAGLBSA-N -1 0 345.420 3.832 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000325482698 971219892 /nfs/dbraw/zinc/21/98/92/971219892.db2.gz IIDXJQCRADENES-HZPDHXFCSA-N -1 0 330.428 3.748 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000325648473 971234262 /nfs/dbraw/zinc/23/42/62/971234262.db2.gz KGFOFHWFXPQYEB-GFCCVEGCSA-N -1 0 328.368 3.585 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2cc(C(F)(F)F)ccc2F)CCCC1 ZINC000325823437 971246237 /nfs/dbraw/zinc/24/62/37/971246237.db2.gz UOSNPAYMFWJNFP-UHFFFAOYSA-N -1 0 348.296 3.754 20 0 EHADRM O=C([O-])c1ccc2c(c1)N(C(=O)c1cc3c(s1)CCCCC3)CC2 ZINC000326377605 971287362 /nfs/dbraw/zinc/28/73/62/971287362.db2.gz XBZNGECTUFWGCK-UHFFFAOYSA-N -1 0 341.432 3.918 20 0 EHADRM Cc1ccc(OCCCC(=O)NCC2(CC(=O)[O-])CCCCC2)cc1 ZINC000326418340 971290984 /nfs/dbraw/zinc/29/09/84/971290984.db2.gz RVUOIOCNIQAMLV-UHFFFAOYSA-N -1 0 347.455 3.695 20 0 EHADRM CCO[C@@H](c1noc([C@@H]2CCC[C@H](C(=O)[O-])C2)n1)c1ccccc1 ZINC000326507079 971299364 /nfs/dbraw/zinc/29/93/64/971299364.db2.gz JPJTWYQUNVERIS-QLFBSQMISA-N -1 0 330.384 3.554 20 0 EHADRM N#Cc1ccc(OCCOc2ccc(/C=C/C(=O)[O-])cc2)cc1Cl ZINC000326676861 971315942 /nfs/dbraw/zinc/31/59/42/971315942.db2.gz OJGCMDBARMQOHW-FPYGCLRLSA-N -1 0 343.766 3.767 20 0 EHADRM CCC1CCC(NC(=O)CCc2ccc([C@H]3C[C@H]3C)o2)(C(=O)[O-])CC1 ZINC000326793324 971327969 /nfs/dbraw/zinc/32/79/69/971327969.db2.gz XUZKGQACWIAQNN-UEYJHICLSA-N -1 0 347.455 3.875 20 0 EHADRM CC(C)c1cccc(OCC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)c1 ZINC000326800134 971329190 /nfs/dbraw/zinc/32/91/90/971329190.db2.gz CDVZGLFFEBGDKU-UHFFFAOYSA-N -1 0 349.333 3.804 20 0 EHADRM Cc1ccccc1N(CCC(=O)[O-])C(=O)c1cccc(OC(F)F)c1 ZINC000326846434 971334564 /nfs/dbraw/zinc/33/45/64/971334564.db2.gz NBWCXYHEBODSAU-UHFFFAOYSA-N -1 0 349.333 3.718 20 0 EHADRM Cc1cc2ccccc2n1CC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000326853412 971335650 /nfs/dbraw/zinc/33/56/50/971335650.db2.gz QURNNWQDQJMZBJ-UHFFFAOYSA-N -1 0 344.317 3.565 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)c2ccc(-n3cccc3)cc2)cc1F ZINC000326866150 971338025 /nfs/dbraw/zinc/33/80/25/971338025.db2.gz VZFSUMXEWFQJQV-UHFFFAOYSA-N -1 0 342.301 3.706 20 0 EHADRM Cc1c2ccccc2oc1C(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000327128410 971369518 /nfs/dbraw/zinc/36/95/18/971369518.db2.gz KWENZTJWJJYGLJ-UHFFFAOYSA-N -1 0 335.359 3.638 20 0 EHADRM COc1cc(OC)cc(Oc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000327291398 971384015 /nfs/dbraw/zinc/38/40/15/971384015.db2.gz MXIDCQAFUVKZSS-XQRVVYSFSA-N -1 0 345.307 3.502 20 0 EHADRM Cc1ccc2oc(C(=O)N3C[C@H](C(=O)[O-])Cc4ccccc43)cc2c1 ZINC000327551393 971408232 /nfs/dbraw/zinc/40/82/32/971408232.db2.gz AZDWHDXANVEJNE-OAHLLOKOSA-N -1 0 335.359 3.645 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000327564706 971409014 /nfs/dbraw/zinc/40/90/14/971409014.db2.gz VAOCOUSEJGFMGM-SJORKVTESA-N -1 0 340.379 3.854 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000327564704 971409234 /nfs/dbraw/zinc/40/92/34/971409234.db2.gz VAOCOUSEJGFMGM-IAGOWNOFSA-N -1 0 340.379 3.854 20 0 EHADRM Cc1cc(-c2nnc(-c3cccc(C(=O)[O-])c3)o2)c2ccccc2n1 ZINC000327771154 971424743 /nfs/dbraw/zinc/42/47/43/971424743.db2.gz VTFUBGPKVCTVIA-UHFFFAOYSA-N -1 0 331.331 3.958 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001589561537 948818612 /nfs/dbraw/zinc/81/86/12/948818612.db2.gz YFMQFTFFIATMBY-MRXNPFEDSA-N -1 0 341.411 3.573 20 0 EHADRM CC[C@@H](NC(=O)C1(C(=O)[O-])CCCCCC1)c1ccc(OC)cc1 ZINC001589565709 948864991 /nfs/dbraw/zinc/86/49/91/948864991.db2.gz ZLVFYXXIMDRKOX-MRXNPFEDSA-N -1 0 333.428 3.688 20 0 EHADRM CCC(CC)(NC(=O)CCCc1ccc2ccccc2c1)C(=O)[O-] ZINC000342520436 971517559 /nfs/dbraw/zinc/51/75/59/971517559.db2.gz GZKUGQRYLQHNFC-UHFFFAOYSA-N -1 0 327.424 3.922 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])s1)c1ccccc1OC(F)F ZINC000345797839 971519745 /nfs/dbraw/zinc/51/97/45/971519745.db2.gz JGZWVLUOQGGOBA-MRVPVSSYSA-N -1 0 341.335 3.539 20 0 EHADRM CCCC[C@@H](NC(=O)CCC(=O)c1ccc2ccccc2c1)C(=O)[O-] ZINC000347256176 971521853 /nfs/dbraw/zinc/52/18/53/971521853.db2.gz FYLMYWSWPMTWCQ-QGZVFWFLSA-N -1 0 341.407 3.562 20 0 EHADRM CCCC[C@H](NC(=O)C[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000347254773 971521938 /nfs/dbraw/zinc/52/19/38/971521938.db2.gz BOJOQCRIGWNDJW-FZMZJTMJSA-N -1 0 345.361 3.959 20 0 EHADRM CCCC[C@@H](NC(=O)c1oc2ccccc2c1COC(C)C)C(=O)[O-] ZINC000347260191 971522195 /nfs/dbraw/zinc/52/21/95/971522195.db2.gz LLVNQYVODXNDJY-OAHLLOKOSA-N -1 0 347.411 3.731 20 0 EHADRM CCCC[C@@H](NC(=O)CCc1ccc(-c2ccccc2)o1)C(=O)[O-] ZINC000347268591 971522560 /nfs/dbraw/zinc/52/25/60/971522560.db2.gz YSTCRJJCKKOLLW-MRXNPFEDSA-N -1 0 329.396 3.639 20 0 EHADRM Cc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1Br ZINC000066146035 948973006 /nfs/dbraw/zinc/97/30/06/948973006.db2.gz YGBWGEAISMBUAF-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM CC[C@H](SC)C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001589585168 949039482 /nfs/dbraw/zinc/03/94/82/949039482.db2.gz NGOVEUPKTFABQK-WPRPVWTQSA-N -1 0 327.471 3.651 20 0 EHADRM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCC1(C(=O)[O-])CCC1 ZINC001589585774 949047480 /nfs/dbraw/zinc/04/74/80/949047480.db2.gz MGJITZKHHQYLFA-DLBZAZTESA-N -1 0 344.455 3.609 20 0 EHADRM Cc1oc(CN(C)C(=O)c2cc3cc(Cl)ccc3o2)cc1C(=O)[O-] ZINC000362745009 971536328 /nfs/dbraw/zinc/53/63/28/971536328.db2.gz MUSKVBLXHLNSSA-UHFFFAOYSA-N -1 0 347.754 3.958 20 0 EHADRM Cc1oc(CN(C)C(=O)c2ccc(Cl)c(Cl)c2)cc1C(=O)[O-] ZINC000362751965 971536829 /nfs/dbraw/zinc/53/68/29/971536829.db2.gz KPTHXTZZBYGDAB-UHFFFAOYSA-N -1 0 342.178 3.865 20 0 EHADRM O=C([O-])[C@@H]1CN(Cc2ccc(Br)cc2)Cc2ccccc21 ZINC000087612405 949091834 /nfs/dbraw/zinc/09/18/34/949091834.db2.gz LCYYJEJRRMTIGY-MRXNPFEDSA-N -1 0 346.224 3.633 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2[nH]c3ccccc3c2Cl)C1 ZINC001589597869 949178790 /nfs/dbraw/zinc/17/87/90/949178790.db2.gz INHHNUJWSQBSMY-QGZVFWFLSA-N -1 0 334.803 3.538 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2cc(C)c(C(C)=O)c(C)c2)C1 ZINC001589598433 949185443 /nfs/dbraw/zinc/18/54/43/949185443.db2.gz TVAGPWJQSONIQQ-LJQANCHMSA-N -1 0 346.427 3.615 20 0 EHADRM O=C([O-])c1ccc(C(=O)Oc2ccc(OCc3ccccc3)cc2)nc1 ZINC001595226486 949299969 /nfs/dbraw/zinc/29/99/69/949299969.db2.gz YHIJMVPVHPXFGI-UHFFFAOYSA-N -1 0 349.342 3.578 20 0 EHADRM O=C([O-])CCC(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC000147176788 949350787 /nfs/dbraw/zinc/35/07/87/949350787.db2.gz RGLZOFXRIYBKNZ-KRWDZBQOSA-N -1 0 349.839 3.740 20 0 EHADRM CCC1CCC(N(C)C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)CC1 ZINC001589617919 949376933 /nfs/dbraw/zinc/37/69/33/949376933.db2.gz LEQFXBLSWRTMIG-MKJPBZQASA-N -1 0 346.471 3.639 20 0 EHADRM CCC1CCC(CNC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)CC1 ZINC001589618575 949382490 /nfs/dbraw/zinc/38/24/90/949382490.db2.gz UGUGOGDJHHPKHQ-ALLBUHFWSA-N -1 0 346.471 3.545 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2CC[C@H]2c2ccc(Cl)cc2F)nc1 ZINC001595235452 949387005 /nfs/dbraw/zinc/38/70/05/949387005.db2.gz SCDGTOLAJYOJNU-AAEUAGOBSA-N -1 0 348.761 3.705 20 0 EHADRM Cc1ccc(C[N@@H+]2CCCC[C@@H]2CC(=O)[O-])c(Br)c1 ZINC000164332636 949412653 /nfs/dbraw/zinc/41/26/53/949412653.db2.gz XCLPWSVHWKWORJ-CYBMUJFWSA-N -1 0 326.234 3.587 20 0 EHADRM O=C([O-])c1cccc(NC(=O)C2(c3nccc4ccccc43)CC2)c1 ZINC001595248896 949533900 /nfs/dbraw/zinc/53/39/00/949533900.db2.gz PPKRCIMVTAJTDA-UHFFFAOYSA-N -1 0 332.359 3.603 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)[C@@H]2CC[C@H]2c2ccc(Cl)cc2F)c1 ZINC001595262911 949706661 /nfs/dbraw/zinc/70/66/61/949706661.db2.gz ZPURCUBOJYYPFZ-WCQYABFASA-N -1 0 348.761 3.705 20 0 EHADRM CCCCCCOc1ccc(CC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])cc1 ZINC001589645431 949725955 /nfs/dbraw/zinc/72/59/55/949725955.db2.gz AYPHOFQRLAHRJG-MSOLQXFVSA-N -1 0 347.455 3.558 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1Cc1ccc(Br)c(Cl)c1 ZINC000236433088 949903170 /nfs/dbraw/zinc/90/31/70/949903170.db2.gz PTPZLBDBQPRGJM-LBPRGKRZSA-N -1 0 332.625 3.542 20 0 EHADRM CC(C)C[C@@H](NC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000236788229 949937207 /nfs/dbraw/zinc/93/72/07/949937207.db2.gz OREYSFHCBLADTK-KZNAEPCWSA-N -1 0 325.408 3.559 20 0 EHADRM O=C([O-])c1ccc(C(=O)O[C@H]2CCCc3ccc(Cl)cc32)cn1 ZINC001595277874 949943546 /nfs/dbraw/zinc/94/35/46/949943546.db2.gz QIZCQRCMAAHNRB-HNNXBMFYSA-N -1 0 331.755 3.668 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)CCCc1ccc(F)c(F)c1 ZINC000237922112 949981836 /nfs/dbraw/zinc/98/18/36/949981836.db2.gz XRFXRLFTWZWLSO-AWEZNQCLSA-N -1 0 339.382 3.533 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2Cc2ccccc2)nc1 ZINC000238043135 949991071 /nfs/dbraw/zinc/99/10/71/949991071.db2.gz XCJFOGYTNNEIKX-UHFFFAOYSA-N -1 0 332.359 3.623 20 0 EHADRM C[C@@H](CN(C)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)[O-] ZINC000262414186 950121109 /nfs/dbraw/zinc/12/11/09/950121109.db2.gz DKXTUHBVGIQEAR-ZETCQYMHSA-N -1 0 338.713 3.543 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccccc1 ZINC000262912788 950185361 /nfs/dbraw/zinc/18/53/61/950185361.db2.gz DTZSLYODJUBFRS-BEFAXECRSA-N -1 0 332.444 3.670 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000263027928 950221385 /nfs/dbraw/zinc/22/13/85/950221385.db2.gz YNIVPIYDHKWPDD-CYBMUJFWSA-N -1 0 341.329 3.580 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000263033911 950225917 /nfs/dbraw/zinc/22/59/17/950225917.db2.gz BOTDLLGORFXHIK-IUCAKERBSA-N -1 0 331.199 3.568 20 0 EHADRM CCCn1ccc2cc(NC(=O)N3C[C@H](C)C[C@H](C(=O)[O-])C3)ccc21 ZINC000263112409 950272156 /nfs/dbraw/zinc/27/21/56/950272156.db2.gz LDPHOHYJRASAIX-HIFRSBDPSA-N -1 0 343.427 3.626 20 0 EHADRM CCSCc1ccc(NC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1 ZINC000263121828 950277573 /nfs/dbraw/zinc/27/75/73/950277573.db2.gz MCMKCZPKXFJGPS-OCCSQVGLSA-N -1 0 336.457 3.514 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2ccc(Oc3ccccc3)cc2)C1 ZINC000263202036 950321705 /nfs/dbraw/zinc/32/17/05/950321705.db2.gz KCCOODCZTYNUIS-JKSUJKDBSA-N -1 0 339.391 3.596 20 0 EHADRM C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)c1ccc2ccccc2c1 ZINC000263365175 950405200 /nfs/dbraw/zinc/40/52/00/950405200.db2.gz SYFDEABJJFDQNV-HBUWYVDXSA-N -1 0 325.408 3.513 20 0 EHADRM C[C@@H](CN(C)C(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1)C(=O)[O-] ZINC000263483298 950484964 /nfs/dbraw/zinc/48/49/64/950484964.db2.gz LNUYVVUMICYGPZ-NSHDSACASA-N -1 0 347.415 3.601 20 0 EHADRM CCCC1(C(=O)Nc2cc(C(=O)[O-])c(Br)cc2C)CC1 ZINC000380127182 971679082 /nfs/dbraw/zinc/67/90/82/971679082.db2.gz SAXNXILZYNTVIC-UHFFFAOYSA-N -1 0 340.217 3.975 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1nc2c(cccc2Cl)s1 ZINC001602852734 971692072 /nfs/dbraw/zinc/69/20/72/971692072.db2.gz FONILEJUBLZISZ-SECBINFHSA-N -1 0 326.805 3.635 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000320554746 950992955 /nfs/dbraw/zinc/99/29/55/950992955.db2.gz QSSYHNOWJSTCNL-STQMWFEESA-N -1 0 338.835 3.687 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2csc3c2CC[C@@H](C)C3)C1 ZINC000320952614 951007249 /nfs/dbraw/zinc/00/72/49/951007249.db2.gz UUSZTJQYKUNKBR-XIKOKIGWSA-N -1 0 335.469 3.590 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)CCCOc1ccccc1 ZINC000326792563 951104098 /nfs/dbraw/zinc/10/40/98/951104098.db2.gz XPOSDSHISUENMM-UHFFFAOYSA-N -1 0 339.391 3.523 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)CCn2ccc3ccccc32)c1 ZINC000344053235 951133801 /nfs/dbraw/zinc/13/38/01/951133801.db2.gz SVMXGXRAQDDSSA-UHFFFAOYSA-N -1 0 336.391 3.687 20 0 EHADRM CCOC(=O)c1sc(NC(=O)CC[C@@H](C)CC)c(C(=O)[O-])c1C ZINC001591425695 951134941 /nfs/dbraw/zinc/13/49/41/951134941.db2.gz HWLMRMZOZLYUOI-VIFPVBQESA-N -1 0 341.429 3.696 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)c1cc2c(s1)-c1ccccc1CC2)C1CC1 ZINC000362474237 951135349 /nfs/dbraw/zinc/13/53/49/951135349.db2.gz RPTYQWPZLZRNOP-NSHDSACASA-N -1 0 341.432 3.591 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000362336593 951136228 /nfs/dbraw/zinc/13/62/28/951136228.db2.gz XCLYAVSMTOPAKJ-UHFFFAOYSA-N -1 0 332.227 3.638 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)CC1 ZINC000364194866 951137863 /nfs/dbraw/zinc/13/78/63/951137863.db2.gz JZMNVHQUQANXCA-ZWKOTPCHSA-N -1 0 337.419 3.657 20 0 EHADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)Oc2ccc(-c3ccccc3)cc2)CO1 ZINC001595007856 951225469 /nfs/dbraw/zinc/22/54/69/951225469.db2.gz ZDOULSUHXUTXIC-FUHWJXTLSA-N -1 0 340.375 3.529 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cc3ccccc3nc2Cl)C1 ZINC001595014762 951277817 /nfs/dbraw/zinc/27/78/17/951277817.db2.gz BXGODKBICXWYGB-LBPRGKRZSA-N -1 0 346.814 3.605 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2cc(F)ccc2Cl)C1 ZINC000389236385 951347758 /nfs/dbraw/zinc/34/77/58/951347758.db2.gz CCRYSDIWYANLLR-OAHLLOKOSA-N -1 0 328.771 3.588 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1cc(Cc2ccccc2)ccc1O ZINC001595034835 951394754 /nfs/dbraw/zinc/39/47/54/951394754.db2.gz DDNAHEPNBIXNNO-UHFFFAOYSA-N -1 0 327.380 3.567 20 0 EHADRM O=C([O-])CCNC(=O)N1CC2(CCCCCC2)[C@@H]1c1ccccc1 ZINC001595059370 951514162 /nfs/dbraw/zinc/51/41/62/951514162.db2.gz RVJWLDRLGPEVPA-KRWDZBQOSA-N -1 0 330.428 3.568 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2cnc3ccc(F)cc3c2)c1 ZINC001595066517 951553391 /nfs/dbraw/zinc/55/33/91/951553391.db2.gz NKNQJVMZJKHIIM-UHFFFAOYSA-N -1 0 338.338 3.643 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)N[C@H]2C[C@H]2c2cccc(F)c2)c1 ZINC001595066537 951553549 /nfs/dbraw/zinc/55/35/49/951553549.db2.gz LXNIRJZNUQZTIO-IRXDYDNUSA-N -1 0 342.370 3.521 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)C2(Sc3ccccc3)CC2)c1 ZINC001595130864 952033538 /nfs/dbraw/zinc/03/35/38/952033538.db2.gz VMOVUHQBSBRLLX-UHFFFAOYSA-N -1 0 327.405 3.577 20 0 EHADRM Cc1c(C(=O)[O-])cc(CNc2ccc(Br)c(F)c2)n1C ZINC000383321082 971862989 /nfs/dbraw/zinc/86/29/89/971862989.db2.gz WBEIOJZXCWEAGO-UHFFFAOYSA-N -1 0 341.180 3.545 20 0 EHADRM CC(C)(C)c1ccc(CCNC(=O)[C@@H](C(=O)[O-])C2CCCC2)cc1 ZINC001602922971 971883569 /nfs/dbraw/zinc/88/35/69/971883569.db2.gz KYAJTDFFNNSSBM-KRWDZBQOSA-N -1 0 331.456 3.534 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)NCC1(C(F)(F)F)CCCC1 ZINC001594744275 953379219 /nfs/dbraw/zinc/37/92/19/953379219.db2.gz SCGRRUHBDJXOGY-UHFFFAOYSA-N -1 0 330.306 3.629 20 0 EHADRM CCc1ccc(C2=CCN(C(=O)NCCCCCC(=O)[O-])CC2)cc1 ZINC000414630889 953403509 /nfs/dbraw/zinc/40/35/09/953403509.db2.gz VCEAFSGNALCAAR-UHFFFAOYSA-N -1 0 344.455 3.693 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1ccc(F)cc1C(C)(F)F)C(=O)[O-] ZINC001593609512 953453777 /nfs/dbraw/zinc/45/37/77/953453777.db2.gz DTWICGJSPMEEMP-UFBFGSQYSA-N -1 0 332.322 3.558 20 0 EHADRM CN(Cc1c(Cl)cccc1Cl)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424396915 953461624 /nfs/dbraw/zinc/46/16/24/953461624.db2.gz IOJLCQKKFMRPCT-UHFFFAOYSA-N -1 0 347.242 3.636 20 0 EHADRM CSc1ccccc1[C@@H](C)NC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000424452397 953488614 /nfs/dbraw/zinc/48/86/14/953488614.db2.gz QCJVTZZPEPHIFU-CHWSQXEVSA-N -1 0 338.473 3.516 20 0 EHADRM O=C([O-])CCCNC(=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000428092677 953499584 /nfs/dbraw/zinc/49/95/84/953499584.db2.gz PXGXNGRAISJKTI-UHFFFAOYSA-N -1 0 333.771 3.727 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000449138061 953513108 /nfs/dbraw/zinc/51/31/08/953513108.db2.gz ZSUZJWRAYYXTQZ-LBPRGKRZSA-N -1 0 331.334 3.715 20 0 EHADRM CC[C@@H](C)Oc1ccc(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000519118774 953547706 /nfs/dbraw/zinc/54/77/06/953547706.db2.gz AVVJGLRGPGSIEL-KGLIPLIRSA-N -1 0 334.416 3.583 20 0 EHADRM C[C@@H](CC(=O)NCC1(C(=O)[O-])CCC1)c1cccc(C(F)(F)F)c1 ZINC000532008147 953561884 /nfs/dbraw/zinc/56/18/84/953561884.db2.gz XJPOVFHHHMMRME-NSHDSACASA-N -1 0 343.345 3.570 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCC2(c3ccccc3)CCCCC2)C1 ZINC000556913975 953586085 /nfs/dbraw/zinc/58/60/85/953586085.db2.gz UPSJINKLYLIKNZ-JKSUJKDBSA-N -1 0 329.440 3.506 20 0 EHADRM CCSCc1ccc(NC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000563711568 953599671 /nfs/dbraw/zinc/59/96/71/953599671.db2.gz AGIDXFOYBWCZIF-SWLSCSKDSA-N -1 0 336.457 3.514 20 0 EHADRM CCc1ccc([C@@H]2CCN(C(=O)c3coc(/C=C/C(=O)[O-])c3)C2)cc1 ZINC001593637280 953616297 /nfs/dbraw/zinc/61/62/97/953616297.db2.gz RBIOBOKJKZSANE-KXPUMZMLSA-N -1 0 339.391 3.570 20 0 EHADRM C[C@H]1CCN(C(=O)CCCc2ccc3ccccc3c2)C[C@@H]1C(=O)[O-] ZINC000566235801 953624101 /nfs/dbraw/zinc/62/41/01/953624101.db2.gz SYLBZKSCAYIVQO-KXBFYZLASA-N -1 0 339.435 3.732 20 0 EHADRM CCc1ccc(NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc1OC ZINC001593639066 953633447 /nfs/dbraw/zinc/63/34/47/953633447.db2.gz QSNNLRPXUHRJJR-CQSZACIVSA-N -1 0 336.432 3.659 20 0 EHADRM CC(C)c1nc2cc(NC(=O)N3CC[C@H](C)[C@@H](C(=O)[O-])C3)ccc2o1 ZINC000567883621 953638849 /nfs/dbraw/zinc/63/88/49/953638849.db2.gz CCVWLTFTWNRTIC-AAEUAGOBSA-N -1 0 345.399 3.526 20 0 EHADRM CCc1cccc(C)c1NC(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001593640204 953639641 /nfs/dbraw/zinc/63/96/41/953639641.db2.gz UDPDREVHDSOLBV-MRXNPFEDSA-N -1 0 330.359 3.644 20 0 EHADRM CCCOc1ccc(NC(=O)N([C@H](C)C(=O)[O-])C2CC2)cc1Cl ZINC000571384661 953661481 /nfs/dbraw/zinc/66/14/81/953661481.db2.gz WACWTZKXPGEWRG-SNVBAGLBSA-N -1 0 340.807 3.598 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1cccc2c1OC(C)(C)CC2 ZINC001589303596 953714612 /nfs/dbraw/zinc/71/46/12/953714612.db2.gz INVNKNZUINAXGX-JSGCOSHPSA-N -1 0 346.427 3.507 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1cccc2c1OC(C)(C)CC2 ZINC001589303597 953714710 /nfs/dbraw/zinc/71/47/10/953714710.db2.gz INVNKNZUINAXGX-OCCSQVGLSA-N -1 0 346.427 3.507 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc(OC3CCCC3)cc2)C[C@H]1C(=O)[O-] ZINC000583752981 953730422 /nfs/dbraw/zinc/73/04/22/953730422.db2.gz JEFHKDPIEUZFQL-CXAGYDPISA-N -1 0 346.427 3.583 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)NCCC(C)(C)C(=O)[O-] ZINC000590851402 953739861 /nfs/dbraw/zinc/73/98/61/953739861.db2.gz YXBOKDNCFNSPCU-UHFFFAOYSA-N -1 0 335.425 3.527 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1ccc2[nH]c(C3CCCCC3)nc2c1 ZINC001594806383 953781755 /nfs/dbraw/zinc/78/17/55/953781755.db2.gz KCNRAZMYGLSYLS-UONOGXRCSA-N -1 0 341.411 3.660 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1CNC(=O)NC1CCC(C(=O)[O-])CC1 ZINC001589310242 953782642 /nfs/dbraw/zinc/78/26/42/953782642.db2.gz FZSKRJOCXVDFEX-XRQWDYAESA-N -1 0 338.492 3.637 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1CNC(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001589310487 953786971 /nfs/dbraw/zinc/78/69/71/953786971.db2.gz PLLDXWAPGOURMH-NFAWXSAZSA-N -1 0 333.432 3.610 20 0 EHADRM CCn1c(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc2ccccc21 ZINC001593660322 953792821 /nfs/dbraw/zinc/79/28/21/953792821.db2.gz KQXWSYLTUXHNJL-SJORKVTESA-N -1 0 348.402 3.704 20 0 EHADRM CCC[C@H](CCc1ccccc1)NC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000626753974 953808308 /nfs/dbraw/zinc/80/83/08/953808308.db2.gz CEUJMAPSQWIIBI-NXHRZFHOSA-N -1 0 346.471 3.540 20 0 EHADRM CCn1cc(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c2ccccc21 ZINC001593665215 953829841 /nfs/dbraw/zinc/82/98/41/953829841.db2.gz NIMUEIJSOKGZLY-WMZOPIPTSA-N -1 0 348.402 3.704 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC001594811703 953834182 /nfs/dbraw/zinc/83/41/82/953834182.db2.gz HPEMAWYRMQLUPE-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CCNC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001589319510 953845233 /nfs/dbraw/zinc/84/52/33/953845233.db2.gz MHKQWPMSPXCHCV-IIDMSEBBSA-N -1 0 344.455 3.596 20 0 EHADRM CCn1cnc(Cl)c1CN1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001593669676 953870341 /nfs/dbraw/zinc/87/03/41/953870341.db2.gz SXTYWANAPJMXBR-UHFFFAOYSA-N -1 0 347.846 3.634 20 0 EHADRM C[C@H]1CCCN(C(=O)CCSc2cccc(Cl)c2)[C@@H]1C(=O)[O-] ZINC001589325793 953907678 /nfs/dbraw/zinc/90/76/78/953907678.db2.gz KOKDYQQNUVYYPO-NHYWBVRUSA-N -1 0 341.860 3.534 20 0 EHADRM C[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)[C@H]1C(=O)[O-] ZINC001589327885 953926323 /nfs/dbraw/zinc/92/63/23/953926323.db2.gz DCHQIUBCUQMOSD-PRHODGIISA-N -1 0 349.736 3.684 20 0 EHADRM CCCc1ccc(CCCC(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000647728103 953971145 /nfs/dbraw/zinc/97/11/45/953971145.db2.gz YRYZHICNVROIRR-GOSISDBHSA-N -1 0 331.456 3.675 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1)C1CC1 ZINC001594837129 954035319 /nfs/dbraw/zinc/03/53/19/954035319.db2.gz GUCLLSRQVNMCQC-HNNXBMFYSA-N -1 0 346.770 3.577 20 0 EHADRM CC[C@H](C)[C@H](C)N(C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)C1CC1 ZINC000652111335 954071215 /nfs/dbraw/zinc/07/12/15/954071215.db2.gz SZLQMWWYGURNOX-AUSJPIAWSA-N -1 0 346.471 3.638 20 0 EHADRM CC(C)c1nc2cc(NC(=O)[C@]3(C(=O)[O-])CC=CCC3)ccc2o1 ZINC000653295184 954103156 /nfs/dbraw/zinc/10/31/56/954103156.db2.gz HWRHPNMKWLBDCJ-SFHVURJKSA-N -1 0 328.368 3.701 20 0 EHADRM O=C([O-])CN(CC1CC1)C(=O)c1occc1CSc1ccccc1 ZINC000653326689 954153057 /nfs/dbraw/zinc/15/30/57/954153057.db2.gz JBPWCMCFIWYWSJ-UHFFFAOYSA-N -1 0 345.420 3.509 20 0 EHADRM Cc1cccc(CC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1Cl ZINC000653328801 954158705 /nfs/dbraw/zinc/15/87/05/954158705.db2.gz NGMXTMFYEJOUAM-CVEARBPZSA-N -1 0 343.810 3.620 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653331548 954161500 /nfs/dbraw/zinc/16/15/00/954161500.db2.gz SSORBPRMMYZGIB-MORSLUCNSA-N -1 0 345.439 3.544 20 0 EHADRM C[C@H]1CCc2c(sc(NC(=O)c3cc(C4CC4)no3)c2C(=O)[O-])C1 ZINC001589363043 954165520 /nfs/dbraw/zinc/16/55/20/954165520.db2.gz DTSDOIGWNZTBQY-QMMMGPOBSA-N -1 0 346.408 3.689 20 0 EHADRM C[C@@H]1CCc2c(sc(NC(=O)c3cc(C4CC4)no3)c2C(=O)[O-])C1 ZINC001589363042 954165654 /nfs/dbraw/zinc/16/56/54/954165654.db2.gz DTSDOIGWNZTBQY-MRVPVSSYSA-N -1 0 346.408 3.689 20 0 EHADRM CCc1ccc(CCC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000653333598 954165789 /nfs/dbraw/zinc/16/57/89/954165789.db2.gz QYXXXBGYHVQZJK-MOPGFXCFSA-N -1 0 337.419 3.611 20 0 EHADRM C[C@H](NC(=O)Nc1cc(F)ccc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653537928 954185983 /nfs/dbraw/zinc/18/59/83/954185983.db2.gz LSPGJVGKCMUVSB-INTQDDNPSA-N -1 0 342.798 3.736 20 0 EHADRM CC(C)c1cnc(NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)s1 ZINC000653544294 954192375 /nfs/dbraw/zinc/19/23/75/954192375.db2.gz SMMCIINEYSXEOU-GARJFASQSA-N -1 0 339.461 3.523 20 0 EHADRM CCCc1c(NC(=O)CCCCC(=O)[O-])cnn1-c1cccc(F)c1 ZINC000655543829 954196361 /nfs/dbraw/zinc/19/63/61/954196361.db2.gz KAHGWEBEIHBHOT-UHFFFAOYSA-N -1 0 347.390 3.547 20 0 EHADRM O=C([O-])C1(C(=O)N[C@@H]2[C@H]3Cc4c(cccc4Cl)[C@@H]23)CCCCCC1 ZINC001594852318 954205061 /nfs/dbraw/zinc/20/50/61/954205061.db2.gz SNWWMSWIHISGKV-NUEKZKHPSA-N -1 0 347.842 3.520 20 0 EHADRM CC(C)[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000655568305 954205774 /nfs/dbraw/zinc/20/57/74/954205774.db2.gz GVQGPRFDPIOXTF-AGIUHOORSA-N -1 0 344.238 3.570 20 0 EHADRM Cc1cccc2c(C(=O)N[C@H](C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)coc21 ZINC000655575158 954212333 /nfs/dbraw/zinc/21/23/33/954212333.db2.gz HBBXRKWWJBADBG-BYCMXARLSA-N -1 0 329.396 3.606 20 0 EHADRM CC(C)[C@@H](CNC(=O)N(Cc1ccccc1)CC(C)(C)C)C(=O)[O-] ZINC001602978653 971996801 /nfs/dbraw/zinc/99/68/01/971996801.db2.gz KRACPNKAOIYCML-MRXNPFEDSA-N -1 0 334.460 3.601 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)[C@H](C(=O)[O-])C(C)C)c(F)c1 ZINC000655596860 954233390 /nfs/dbraw/zinc/23/33/90/954233390.db2.gz MGRSDZVWKNWEPU-OAHLLOKOSA-N -1 0 325.380 3.546 20 0 EHADRM CC(C)[C@H](CNC(=O)N1CCC[C@H]1c1ccc(Cl)cc1)C(=O)[O-] ZINC000655890884 954270864 /nfs/dbraw/zinc/27/08/64/954270864.db2.gz UXPVITSJFBJNDC-GJZGRUSLSA-N -1 0 338.835 3.543 20 0 EHADRM CC[C@H](C)[C@@H](C)N(C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1CC1 ZINC000655904534 954286853 /nfs/dbraw/zinc/28/68/53/954286853.db2.gz KNWWLLDTPISVID-HJORKGSMSA-N -1 0 338.492 3.730 20 0 EHADRM CCC(CC)CN(CC)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655907500 954290672 /nfs/dbraw/zinc/29/06/72/954290672.db2.gz PYMLWCFXAYKXEV-VHDGCEQUSA-N -1 0 326.481 3.590 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000659144031 954310781 /nfs/dbraw/zinc/31/07/81/954310781.db2.gz AGKIJPWSOUKOQH-FGTMMUONSA-N -1 0 329.440 3.501 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cccc(COC(C)(C)C)c2)CC[C@H]1C(=O)[O-] ZINC001589387106 954311144 /nfs/dbraw/zinc/31/11/44/954311144.db2.gz KFIRLLSRRCHQKH-XJKSGUPXSA-N -1 0 348.443 3.576 20 0 EHADRM C[C@H](NC(=O)NCC1(C(=O)[O-])CCC1)c1ccc(F)c2ccccc21 ZINC000659402947 954327630 /nfs/dbraw/zinc/32/76/30/954327630.db2.gz LWWHGFGPMMTDKY-LBPRGKRZSA-N -1 0 344.386 3.594 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cc(Cl)c(O)c3ccccc23)CC=CC1 ZINC001594869248 954333685 /nfs/dbraw/zinc/33/36/85/954333685.db2.gz KSHFMPPMMSVDHN-UHFFFAOYSA-N -1 0 331.755 3.558 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cc(CC3CCCCC3)[nH]n2)CCCCC1 ZINC001594869218 954333758 /nfs/dbraw/zinc/33/37/58/954333758.db2.gz JNXFEMXIQXGIMV-UHFFFAOYSA-N -1 0 333.432 3.506 20 0 EHADRM CC(C)C(CNC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)C(C)C ZINC001602983360 972005598 /nfs/dbraw/zinc/00/55/98/972005598.db2.gz NRQJDYOEFQLOGM-NVXWUHKLSA-N -1 0 332.444 3.527 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(-c3ccco3)cc2F)CCSCC1 ZINC001594869761 954339819 /nfs/dbraw/zinc/33/98/19/954339819.db2.gz GCSYUEQQEULBKV-UHFFFAOYSA-N -1 0 349.383 3.622 20 0 EHADRM Cc1ccc(C(=O)N2CCC(CCC(=O)[O-])CC2)c(F)c1Cl ZINC000659775811 954370500 /nfs/dbraw/zinc/37/05/00/954370500.db2.gz FJCGIODEYDMGKC-UHFFFAOYSA-N -1 0 327.783 3.505 20 0 EHADRM C[C@@H](NC(=O)[C@H](C(=O)[O-])C(C)(C)C)c1ccc(-c2ccncc2)cc1 ZINC000663041423 954415090 /nfs/dbraw/zinc/41/50/90/954415090.db2.gz XUTMPEBPQFXUCL-CXAGYDPISA-N -1 0 340.423 3.673 20 0 EHADRM O=C([O-])C1(c2noc(-c3csc(-c4ccc(F)cc4)n3)n2)CCC1 ZINC001594887584 954478149 /nfs/dbraw/zinc/47/81/49/954478149.db2.gz RXIAXRISVVZCHI-UHFFFAOYSA-N -1 0 345.355 3.506 20 0 EHADRM CN(Cc1nc2ccccc2s1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001593765377 954512997 /nfs/dbraw/zinc/51/29/97/954512997.db2.gz YWDJMRIQWBDKHF-UHFFFAOYSA-N -1 0 341.392 3.658 20 0 EHADRM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001602992580 972023634 /nfs/dbraw/zinc/02/36/34/972023634.db2.gz KPRPPEMQBASORC-OZSKJFCKSA-N -1 0 345.370 3.514 20 0 EHADRM CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000668298694 954567291 /nfs/dbraw/zinc/56/72/91/954567291.db2.gz HLLYNCLRLYHSCV-QGZVFWFLSA-N -1 0 327.380 3.617 20 0 EHADRM C[C@@H](CCC(C)(C)C)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000386129354 972032052 /nfs/dbraw/zinc/03/20/52/972032052.db2.gz NZQFZEYDWLJMQY-VIFPVBQESA-N -1 0 328.359 3.999 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)C(=O)C[C@@H](Cc1ccccc1)c1ccccc1 ZINC001589434010 954677543 /nfs/dbraw/zinc/67/75/43/954677543.db2.gz VLWTZOBCEROWHX-RTBURBONSA-N -1 0 339.435 3.725 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)Nc2cccc(C(F)F)c2)C1 ZINC000386231228 972037910 /nfs/dbraw/zinc/03/79/10/972037910.db2.gz MISUZJLHOUNTSJ-LBPRGKRZSA-N -1 0 340.370 3.979 20 0 EHADRM CC[C@H](C)[C@H](C)N(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1CC1 ZINC001589458014 954847644 /nfs/dbraw/zinc/84/76/44/954847644.db2.gz VTOVZNLQYLOZIV-KKUMJFAQSA-N -1 0 326.481 3.732 20 0 EHADRM CCC(CC)(CC)CNC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001589484006 954990338 /nfs/dbraw/zinc/99/03/38/954990338.db2.gz QCLSJRNTXHKTGH-SFHVURJKSA-N -1 0 334.460 3.545 20 0 EHADRM CCC(CC)(CNC(=O)NCc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC001589496330 955016679 /nfs/dbraw/zinc/01/66/79/955016679.db2.gz BMZRKBATJPBVNT-UHFFFAOYSA-N -1 0 347.242 3.684 20 0 EHADRM CCC(CC)(CNC(=O)c1cc2c(cccc2N(C)C)s1)C(=O)[O-] ZINC001589498074 955025950 /nfs/dbraw/zinc/02/59/50/955025950.db2.gz MXFARVSQLBTLAY-UHFFFAOYSA-N -1 0 348.468 3.588 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)[C@@H](F)CC1CCCCC1 ZINC001594966124 955057517 /nfs/dbraw/zinc/05/75/17/955057517.db2.gz UWUYXUSBGXBQAV-DLBZAZTESA-N -1 0 333.403 3.506 20 0 EHADRM CC[C@H](CCc1ccccc1)NC(=O)NCc1ccccc1C(=O)[O-] ZINC001589515406 955064997 /nfs/dbraw/zinc/06/49/97/955064997.db2.gz ZRKHVOWPVXTDJP-QGZVFWFLSA-N -1 0 340.423 3.595 20 0 EHADRM CC(C)(C)OC(=O)NCc1ccc(NCc2ccc(C(=O)[O-])o2)cc1 ZINC000386622903 972069028 /nfs/dbraw/zinc/06/90/28/972069028.db2.gz MWNUNRZDWPEMIL-UHFFFAOYSA-N -1 0 346.383 3.615 20 0 EHADRM CC[C@H](CNC(=O)c1cc(C)cc(C(=O)[O-])c1)Oc1cccc(C)c1 ZINC001589549037 955207976 /nfs/dbraw/zinc/20/79/76/955207976.db2.gz FWZUHACELREXTN-QGZVFWFLSA-N -1 0 341.407 3.589 20 0 EHADRM CN(C(=O)c1cccc(OCC(=O)[O-])c1)c1ccc2ccccc2c1 ZINC000746334764 955262486 /nfs/dbraw/zinc/26/24/86/955262486.db2.gz GCXOKUBSHDPISC-UHFFFAOYSA-N -1 0 335.359 3.580 20 0 EHADRM COc1ccc2nc(C)c(C(=O)Nc3ccccc3C(=O)[O-])cc2c1 ZINC000777884060 955340625 /nfs/dbraw/zinc/34/06/25/955340625.db2.gz HLADZQXRIALWHJ-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM Cc1oc2ccccc2c1CC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001594506254 955359453 /nfs/dbraw/zinc/35/94/53/955359453.db2.gz MPTXYIKDFYLARP-KNXALSJPSA-N -1 0 343.423 3.535 20 0 EHADRM Cc1oc2ccccc2c1CNC(=O)Nc1ccccc1CC(=O)[O-] ZINC001594506812 955365447 /nfs/dbraw/zinc/36/54/47/955365447.db2.gz SQYICDAUWNUXIQ-UHFFFAOYSA-N -1 0 338.363 3.690 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCN2C(=O)NCCC(C)(C)C(=O)[O-] ZINC000818622798 955406280 /nfs/dbraw/zinc/40/62/80/955406280.db2.gz DBURJCWXZZLWMF-UHFFFAOYSA-N -1 0 332.444 3.557 20 0 EHADRM Cn1c(SCc2cccc(C(=O)[O-])c2)nnc1-c1ccc(F)cc1 ZINC001594523591 955478911 /nfs/dbraw/zinc/47/89/11/955478911.db2.gz NWCXSNCFPUHCPP-UHFFFAOYSA-N -1 0 343.383 3.612 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CC[C@H](C2CCCCC2)C1)CC(=O)[O-] ZINC001603042200 972104686 /nfs/dbraw/zinc/10/46/86/972104686.db2.gz AIKDRGLQOVEEMN-RDJZCZTQSA-N -1 0 338.492 3.735 20 0 EHADRM C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)CCCC(=O)[O-] ZINC000844243130 955656260 /nfs/dbraw/zinc/65/62/60/955656260.db2.gz CKLFSZHZYKOCBV-VIFPVBQESA-N -1 0 330.211 3.694 20 0 EHADRM CC(C)c1ccc(C[C@@H](C)NC(=O)[C@]2(C(=O)[O-])CC=CCC2)cc1 ZINC001589078813 955834508 /nfs/dbraw/zinc/83/45/08/955834508.db2.gz BKKBCJNMYNJDPH-QRWLVFNGSA-N -1 0 329.440 3.668 20 0 EHADRM CC(C)c1ccc(C[C@H](C)NC(=O)[C@]2(C(=O)[O-])CC=CCC2)cc1 ZINC001589078814 955835279 /nfs/dbraw/zinc/83/52/79/955835279.db2.gz BKKBCJNMYNJDPH-YWZLYKJASA-N -1 0 329.440 3.668 20 0 EHADRM C[C@H](Cc1ccccc1F)NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001589080660 955849284 /nfs/dbraw/zinc/84/92/84/955849284.db2.gz LJNCJDDTVITXOI-CYBMUJFWSA-N -1 0 344.386 3.596 20 0 EHADRM C[C@@H](NC(=O)[C@H](C(=O)[O-])C(C)(C)C)c1ccccc1C(F)(F)F ZINC000852947588 955865577 /nfs/dbraw/zinc/86/55/77/955865577.db2.gz PDESABTXNCHTMR-BXKDBHETSA-N -1 0 331.334 3.630 20 0 EHADRM CC(F)(F)c1c(F)cccc1NC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001589085397 955896749 /nfs/dbraw/zinc/89/67/49/955896749.db2.gz UJCZMUKBQRWGEL-MRXNPFEDSA-N -1 0 327.302 3.687 20 0 EHADRM C[C@H](NC(=O)[C@@]1(C(=O)[O-])CC1(C)C)C1(c2ccccc2)CCCC1 ZINC001589089037 955921115 /nfs/dbraw/zinc/92/11/15/955921115.db2.gz AARATYUSQPVRQZ-VBKZILBWSA-N -1 0 329.440 3.504 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N(C2CC2)[C@H]2CCc3ccccc32)o1 ZINC000864106041 955936133 /nfs/dbraw/zinc/93/61/33/955936133.db2.gz TZRLRPVCXZGJQH-GKUQOKNUSA-N -1 0 337.375 3.670 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)/C=C\c2ccc(C(=O)[O-])o2)C1 ZINC000864111607 955938478 /nfs/dbraw/zinc/93/84/78/955938478.db2.gz IUXLIIPXMKQWMX-XIQZNWFMSA-N -1 0 339.391 3.704 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)/C=C\c1ccsc1C(F)(F)F ZINC000864115867 955943162 /nfs/dbraw/zinc/94/31/62/955943162.db2.gz HMBGSHKYZGUVAA-ARJAWSKDSA-N -1 0 335.347 3.540 20 0 EHADRM COc1ccccc1-c1ccc(C(=O)NC2(CC(=O)[O-])CCC2)s1 ZINC000864119816 955947603 /nfs/dbraw/zinc/94/76/03/955947603.db2.gz NWPDJXFVXWGNDD-UHFFFAOYSA-N -1 0 345.420 3.551 20 0 EHADRM CCc1cc2c(CC(=O)NCCC(C)(C)C(=O)[O-])csc2s1 ZINC000864146304 955966868 /nfs/dbraw/zinc/96/68/68/955966868.db2.gz SXRBFCSKMGPZBQ-UHFFFAOYSA-N -1 0 339.482 3.685 20 0 EHADRM C[C@@H](NC(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589114785 956086307 /nfs/dbraw/zinc/08/63/07/956086307.db2.gz WGONBNJPHMZJQW-LBWNCTQTSA-N -1 0 343.467 3.678 20 0 EHADRM CC(C)Cc1ncc(C(=O)Nc2cccc(CCC(=O)[O-])c2)s1 ZINC000899541170 956290090 /nfs/dbraw/zinc/29/00/90/956290090.db2.gz SOBUQIFERJLZEK-UHFFFAOYSA-N -1 0 332.425 3.611 20 0 EHADRM Cc1c2occ(CC(=O)NC3CCC(C(=O)[O-])CC3)c2ccc1Cl ZINC000901483741 956323004 /nfs/dbraw/zinc/32/30/04/956323004.db2.gz VULPHALNRYFXFN-UHFFFAOYSA-N -1 0 349.814 3.697 20 0 EHADRM Cc1ccc(NC(=O)C2(C(=O)[O-])CCSCC2)cc1C(F)(F)F ZINC000901583317 956352889 /nfs/dbraw/zinc/35/28/89/956352889.db2.gz NTNUASIJQWVAQJ-UHFFFAOYSA-N -1 0 347.358 3.550 20 0 EHADRM CC(C)c1ccc(CN(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C2CC2)cc1 ZINC001603107177 972183938 /nfs/dbraw/zinc/18/39/38/972183938.db2.gz WYPNPFVOWIEORG-SJORKVTESA-N -1 0 344.455 3.737 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000901746270 956449533 /nfs/dbraw/zinc/44/95/33/956449533.db2.gz OCDONFAEMCQKIE-ULQDDVLXSA-N -1 0 347.455 3.550 20 0 EHADRM C[C@H](SCC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1)C(=O)[O-] ZINC001589169595 956461557 /nfs/dbraw/zinc/46/15/57/956461557.db2.gz JQROKRBGWFRPPZ-SMDDNHRTSA-N -1 0 341.448 3.626 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)NC2(Cc3cccc(Cl)c3)CC2)o1 ZINC001594669448 956604354 /nfs/dbraw/zinc/60/43/54/956604354.db2.gz BSBCBASNAKUPFI-ALCCZGGFSA-N -1 0 345.782 3.536 20 0 EHADRM C[C@@H](CCc1ccc(F)cc1)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000902029632 956619580 /nfs/dbraw/zinc/61/95/80/956619580.db2.gz MTMQJEMKNGPUSR-MGBSGCIJSA-N -1 0 349.446 3.646 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CCC[C@@H](Cc2ccccc2)C1 ZINC001589201278 956636407 /nfs/dbraw/zinc/63/64/07/956636407.db2.gz NJIDMQWHLZSDJQ-INIZCTEOSA-N -1 0 343.467 3.605 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)CC2(CSc3ccccc3)CC2)c1 ZINC001594676013 956664020 /nfs/dbraw/zinc/66/40/20/956664020.db2.gz SLGQOPIGXUYSLX-UHFFFAOYSA-N -1 0 342.420 3.681 20 0 EHADRM O=C([O-])c1cc(NC(=O)C[C@H]2CCCc3ccccc32)ccc1O ZINC001594677856 956673573 /nfs/dbraw/zinc/67/35/73/956673573.db2.gz XRAGNAVPYZSFOP-CYBMUJFWSA-N -1 0 325.364 3.539 20 0 EHADRM CC1(C)C=Cc2cccc(NC(=O)N3CCC(C)(C(=O)[O-])CC3)c2O1 ZINC001589210008 956680585 /nfs/dbraw/zinc/68/05/85/956680585.db2.gz RIPGWKRDYVLDGT-UHFFFAOYSA-N -1 0 344.411 3.589 20 0 EHADRM O=C(CCCc1ccc2c(c1)-c1ccccc1C2)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594685068 956706900 /nfs/dbraw/zinc/70/69/00/956706900.db2.gz IYLLKXZFJMOJSN-IYARVYRRSA-N -1 0 349.430 3.560 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1Cc2ccccc2-c2ccccc2C1 ZINC001589213676 956717765 /nfs/dbraw/zinc/71/77/65/956717765.db2.gz UXXVXRHPHZMMCN-OAQYLSRUSA-N -1 0 335.403 3.697 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc([C@H](F)C(F)(F)F)cc2)CC=CC1 ZINC000902701893 956775919 /nfs/dbraw/zinc/77/59/19/956775919.db2.gz NPFTXCQELWDKPM-NSHDSACASA-N -1 0 331.265 3.619 20 0 EHADRM CC1(C)CN(C(=O)NCc2ccc(C(=O)[O-])cc2)[C@H]1c1ccccc1 ZINC001589230217 956818215 /nfs/dbraw/zinc/81/82/15/956818215.db2.gz PBOQUJADTWXODH-KRWDZBQOSA-N -1 0 338.407 3.678 20 0 EHADRM O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)c2ccc(F)cc2F)C1 ZINC000902830835 956820336 /nfs/dbraw/zinc/82/03/36/956820336.db2.gz RQVWUCKWBKHMLK-GFCCVEGCSA-N -1 0 345.345 3.649 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)Nc1scnc1-c1ccccc1 ZINC001594710087 956875212 /nfs/dbraw/zinc/87/52/12/956875212.db2.gz KSVJZDIZDZJZMZ-UHFFFAOYSA-N -1 0 338.388 3.690 20 0 EHADRM Cc1cc(C)c(NC(=O)COc2cc(Cl)ccc2C(=O)[O-])c(C)c1 ZINC000013085320 956934934 /nfs/dbraw/zinc/93/49/34/956934934.db2.gz ZFSYDHDBKLTIAI-UHFFFAOYSA-N -1 0 347.798 3.981 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)cc1 ZINC000013166722 956947109 /nfs/dbraw/zinc/94/71/09/956947109.db2.gz XBELNYWCTLZZFC-UHFFFAOYSA-N -1 0 335.359 3.801 20 0 EHADRM CCCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1OCC ZINC000013166741 956948250 /nfs/dbraw/zinc/94/82/50/956948250.db2.gz AZZVHSQOLRJZHM-UHFFFAOYSA-N -1 0 343.379 3.825 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cc(F)c(F)cc1Cl ZINC000013169707 956952659 /nfs/dbraw/zinc/95/26/59/956952659.db2.gz WTHXOIGPGQLNKA-UHFFFAOYSA-N -1 0 325.698 3.877 20 0 EHADRM Cc1ccccc1OCC(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000013171465 956954321 /nfs/dbraw/zinc/95/43/21/956954321.db2.gz FDCICZOFCCPAIC-UHFFFAOYSA-N -1 0 335.359 3.864 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CCSc1ccc(F)cc1 ZINC000013170066 956954951 /nfs/dbraw/zinc/95/49/51/956954951.db2.gz RTNYLGILTAAKMR-UHFFFAOYSA-N -1 0 333.384 3.953 20 0 EHADRM C[C@]1(c2ccccc2)CCCN(C(=O)C2(CC(=O)[O-])CCC2)CC1 ZINC001589253069 956970505 /nfs/dbraw/zinc/97/05/05/956970505.db2.gz FYDAFCKKKWPEKX-IBGZPJMESA-N -1 0 329.440 3.602 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CSc1ccc(F)cc1F ZINC000013232064 956985860 /nfs/dbraw/zinc/98/58/60/956985860.db2.gz WDWVJIZCBLEDDG-UHFFFAOYSA-N -1 0 337.347 3.702 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OCC(=O)Nc1cccc(Cl)c1C ZINC000013248388 956989957 /nfs/dbraw/zinc/98/99/57/956989957.db2.gz DYBOBLXLKIWWLT-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM COc1cccc([C@@H](C)CCCC(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC000909157671 957006148 /nfs/dbraw/zinc/00/61/48/957006148.db2.gz QTILLLSJEWIKSO-UQPPLGOBSA-N -1 0 347.455 3.729 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)N[C@@H]2C[C@H]2C2CCCCC2)c2ccccc21 ZINC001594726880 957014371 /nfs/dbraw/zinc/01/43/71/957014371.db2.gz PBENJRUUIIMCCV-WNRNVDISSA-N -1 0 342.439 3.568 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)N[C@@H](CC(=O)[O-])c3cccs3)cc2C1 ZINC000013388400 957040082 /nfs/dbraw/zinc/04/00/82/957040082.db2.gz ZAUAFMSZOSNMFC-PWSUYJOCSA-N -1 0 349.477 3.880 20 0 EHADRM Cc1ccc(OCCCC(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000013389157 957041379 /nfs/dbraw/zinc/04/13/79/957041379.db2.gz OJQKTJWVABNZSL-HNNXBMFYSA-N -1 0 347.436 3.548 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)c1cc2c(s1)CCCC2 ZINC000013390080 957042372 /nfs/dbraw/zinc/04/23/72/957042372.db2.gz GDRNDTWLIBTWHZ-UHFFFAOYSA-N -1 0 341.432 3.918 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1 ZINC000013391327 957047504 /nfs/dbraw/zinc/04/75/04/957047504.db2.gz JUAHTMLDRFCKIN-NSHDSACASA-N -1 0 333.771 3.753 20 0 EHADRM CC(C)n1c(=O)c2ccccc2nc1SCc1occc1C(=O)[O-] ZINC000013418181 957057644 /nfs/dbraw/zinc/05/76/44/957057644.db2.gz WZCMTYZTMCCJSS-UHFFFAOYSA-N -1 0 344.392 3.561 20 0 EHADRM CC(C)(C)c1ccc(C(=O)NCCc2ccc(C(=O)[O-])cc2)cc1 ZINC000013442469 957083241 /nfs/dbraw/zinc/08/32/41/957083241.db2.gz AMSCQOGVPDKEJK-UHFFFAOYSA-N -1 0 325.408 3.655 20 0 EHADRM O=C([O-])c1cc(Oc2ccc([N+](=O)[O-])cc2Cl)ccc1[N+](=O)[O-] ZINC000034121664 957188226 /nfs/dbraw/zinc/18/82/26/957188226.db2.gz DVURUXNTWXZDQZ-UHFFFAOYSA-N -1 0 338.659 3.647 20 0 EHADRM O=C([O-])Cc1ccc(OCc2ccc(Br)cc2F)cc1 ZINC000035083532 957197045 /nfs/dbraw/zinc/19/70/45/957197045.db2.gz MOCCFJIULDDXCC-UHFFFAOYSA-N -1 0 339.160 3.794 20 0 EHADRM COc1cc(Cl)c(C)cc1NC(=O)c1ccc(C(=O)[O-])s1 ZINC000035185625 957199972 /nfs/dbraw/zinc/19/99/72/957199972.db2.gz OCMOHKPSXKAETN-UHFFFAOYSA-N -1 0 325.773 3.669 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1csc(-c2cccs2)n1 ZINC000037450639 957294027 /nfs/dbraw/zinc/29/40/27/957294027.db2.gz LWLLUWREGJRKSY-UHFFFAOYSA-N -1 0 336.419 3.884 20 0 EHADRM Cc1ccccc1C(=O)Nc1cc(Br)ccc1C(=O)[O-] ZINC000037742274 957324403 /nfs/dbraw/zinc/32/44/03/957324403.db2.gz ZYSDBFLRMVMYJL-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM Cc1cc(Br)ccc1NC(=O)NCCCCCC(=O)[O-] ZINC000040535930 957373848 /nfs/dbraw/zinc/37/38/48/957373848.db2.gz WZKXSSKPYQPBTR-UHFFFAOYSA-N -1 0 343.221 3.524 20 0 EHADRM O=C([O-])c1cnc(NCc2ccccc2Br)c(Cl)c1 ZINC000048869798 957468048 /nfs/dbraw/zinc/46/80/48/957468048.db2.gz DKQCGAYOUKXMIK-UHFFFAOYSA-N -1 0 341.592 3.808 20 0 EHADRM CC(C)CN(CC(C)C)C(=O)COc1ccc(C(=O)[O-])cc1Cl ZINC000390683758 972298683 /nfs/dbraw/zinc/29/86/83/972298683.db2.gz WYZKVVYBYNQSBX-UHFFFAOYSA-N -1 0 341.835 3.558 20 0 EHADRM O=C([O-])c1cc(C(=O)N2CCCCC[C@H]2c2ccc(Cl)cc2)[nH]n1 ZINC001574790457 957806113 /nfs/dbraw/zinc/80/61/13/957806113.db2.gz UIHKYIQQRMKEHY-HNNXBMFYSA-N -1 0 347.802 3.519 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2ccc(OC(F)F)cc2F)c1 ZINC001594289451 957815287 /nfs/dbraw/zinc/81/52/87/957815287.db2.gz XBDOWTUVFABRMH-UHFFFAOYSA-N -1 0 339.269 3.686 20 0 EHADRM O=C([O-])c1ccc(C(=O)O[C@H](c2ccccc2)c2ccccn2)cc1 ZINC001574795781 957818122 /nfs/dbraw/zinc/81/81/22/957818122.db2.gz FZFWGUFERWMNLB-GOSISDBHSA-N -1 0 333.343 3.726 20 0 EHADRM Cc1cc([C@@H](NC(=O)c2coc(/C=C\C(=O)[O-])c2)C2CC2)ccc1F ZINC001594293757 957845250 /nfs/dbraw/zinc/84/52/50/957845250.db2.gz NEWOLRSTDMHEPT-YEODSOHDSA-N -1 0 343.354 3.706 20 0 EHADRM Cc1cc(C)c(-c2cc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)n[nH]2)cc1C ZINC001594293813 957845264 /nfs/dbraw/zinc/84/52/64/957845264.db2.gz SBABGGYGHBVYRI-MRXNPFEDSA-N -1 0 343.427 3.687 20 0 EHADRM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000390650519 972296931 /nfs/dbraw/zinc/29/69/31/972296931.db2.gz NJPKRUYVWVAXTC-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM C[C@H](NC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)C1CCC(F)CC1 ZINC001341432862 957993017 /nfs/dbraw/zinc/99/30/17/957993017.db2.gz MJNIFDFZBSVETG-XXZAGAQCSA-N -1 0 348.418 3.516 20 0 EHADRM COc1ccc(Br)c(NCc2ccc(C(=O)[O-])cc2)c1 ZINC000088316551 958053893 /nfs/dbraw/zinc/05/38/93/958053893.db2.gz RAAQBJWRMAOHTI-UHFFFAOYSA-N -1 0 336.185 3.768 20 0 EHADRM COc1cc2c(c(CNc3ccc(C(=O)[O-])c(C)c3)c1)O[C@@H](C)C2 ZINC001594058586 958065707 /nfs/dbraw/zinc/06/57/07/958065707.db2.gz GNAVUUYITMJYAE-LBPRGKRZSA-N -1 0 327.380 3.637 20 0 EHADRM Cc1cc(NC(=O)COCc2cccc(Cl)c2)ccc1C(=O)[O-] ZINC001594316764 958071904 /nfs/dbraw/zinc/07/19/04/958071904.db2.gz LPUAELQROCTSFO-UHFFFAOYSA-N -1 0 333.771 3.502 20 0 EHADRM CC(F)(F)c1ccc(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC001603210926 972325313 /nfs/dbraw/zinc/32/53/13/972325313.db2.gz PVUAOQPNVHPDNY-KRWDZBQOSA-N -1 0 333.334 3.528 20 0 EHADRM C[C@@H](NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)c1csc2ccccc21 ZINC001521187773 958221319 /nfs/dbraw/zinc/22/13/19/958221319.db2.gz RTYPGYRZAQAYSZ-JHJVBQTASA-N -1 0 346.452 3.715 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1cc2c(s1)CCCCCC2)C(=O)[O-] ZINC000391322550 972329226 /nfs/dbraw/zinc/32/92/26/972329226.db2.gz GDIRXEFIDJIIJF-CQSZACIVSA-N -1 0 337.485 3.884 20 0 EHADRM Cc1cc2occ(CC(=O)N(CC(=O)[O-])CC(C)(C)C)c2cc1C ZINC001594333104 958243760 /nfs/dbraw/zinc/24/37/60/958243760.db2.gz MIYAVKIQRXDGDD-UHFFFAOYSA-N -1 0 331.412 3.551 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)Nc3cccnc3C(=O)[O-])s2)o1 ZINC001594333841 958247988 /nfs/dbraw/zinc/24/79/88/958247988.db2.gz GXMRWYBETUGIOY-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cccc(Cl)c2F)c2ccccc21 ZINC000391385325 972332290 /nfs/dbraw/zinc/33/22/90/972332290.db2.gz NLQKGGQEUKBNBL-LLVKDONJSA-N -1 0 333.746 3.698 20 0 EHADRM Cc1ccc(-c2nc(C(=O)NC3(C(=O)[O-])CCCCCC3)cs2)o1 ZINC001594336033 958267860 /nfs/dbraw/zinc/26/78/60/958267860.db2.gz UZXWTKKPAXILQA-UHFFFAOYSA-N -1 0 348.424 3.619 20 0 EHADRM CSc1ccccc1NC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000391601890 972348984 /nfs/dbraw/zinc/34/89/84/972348984.db2.gz KBJCCXBAPGPLHE-LBPRGKRZSA-N -1 0 336.457 3.763 20 0 EHADRM C/C(=C\C(=O)N[C@H](CC(C)C)C(=O)[O-])c1ccccc1C(F)(F)F ZINC001573339961 958532237 /nfs/dbraw/zinc/53/22/37/958532237.db2.gz JKKQGWJCWXSWBF-CFRMROPGSA-N -1 0 343.345 3.724 20 0 EHADRM COc1cccc(-c2csc(CN3CCC[C@@H](C)[C@@H]3C(=O)[O-])n2)c1 ZINC001594120192 958595134 /nfs/dbraw/zinc/59/51/34/958595134.db2.gz ZQEKCLFGJDXNML-SJKOYZFVSA-N -1 0 346.452 3.504 20 0 EHADRM Cc1ccc2c(C(=O)N[C@H](Cc3ccccc3)C(=O)[O-])csc2c1 ZINC001594381607 958631552 /nfs/dbraw/zinc/63/15/52/958631552.db2.gz QCJWFGINUFIOCM-MRXNPFEDSA-N -1 0 339.416 3.635 20 0 EHADRM C/C(=C/c1ccccc1C(F)(F)F)CNc1cnn(CC(=O)[O-])c1 ZINC001588488480 958636042 /nfs/dbraw/zinc/63/60/42/958636042.db2.gz OQDJLWUNVJVRIM-WDZFZDKYSA-N -1 0 339.317 3.502 20 0 EHADRM Cc1ccc2c(Cl)c(C(=O)Nc3n[nH]cc3C(=O)[O-])sc2c1 ZINC001594382094 958640486 /nfs/dbraw/zinc/64/04/86/958640486.db2.gz SBIPZUMFXRSCHU-UHFFFAOYSA-N -1 0 335.772 3.537 20 0 EHADRM Cc1ccc2cc(Cl)cc(C(=O)N3[C@H](C)CCC[C@@H]3C(=O)[O-])c2n1 ZINC001594382043 958641030 /nfs/dbraw/zinc/64/10/30/958641030.db2.gz PCPXMBQRXGSYAN-IAQYHMDHSA-N -1 0 346.814 3.664 20 0 EHADRM COc1ccc(CCC(=O)Nc2ccc(C(=O)[O-])cc2C)cc1Cl ZINC000391741219 972364366 /nfs/dbraw/zinc/36/43/66/972364366.db2.gz KLZJMEKZPCHNGV-UHFFFAOYSA-N -1 0 347.798 3.927 20 0 EHADRM Cc1ccc2ccnc(NC(=O)C3(C(=O)[O-])C(C)(C)C3(C)C)c2c1 ZINC001594382573 958647188 /nfs/dbraw/zinc/64/71/88/958647188.db2.gz DOIRWXAUZBYKQT-UHFFFAOYSA-N -1 0 326.396 3.619 20 0 EHADRM Cc1cccc(-c2cc(NC(=O)CCC(=O)[O-])n(-c3ccccc3)n2)c1 ZINC001594385696 958662074 /nfs/dbraw/zinc/66/20/74/958662074.db2.gz DTHOWONLELQBPC-UHFFFAOYSA-N -1 0 349.390 3.651 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(Oc2cccc(F)c2)nc1 ZINC001573391614 958703148 /nfs/dbraw/zinc/70/31/48/958703148.db2.gz UEMOLINVRWBTFX-HNNXBMFYSA-N -1 0 346.358 3.698 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)/C=C/c1nc2ccccc2s1)C(=O)[O-] ZINC001573395795 958717625 /nfs/dbraw/zinc/71/76/25/958717625.db2.gz OYRLGNHQIVYWEL-XEHSLEBBSA-N -1 0 346.452 3.705 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC001573425548 958787866 /nfs/dbraw/zinc/78/78/66/958787866.db2.gz SMNODRUPEBHOAM-DLBZAZTESA-N -1 0 331.456 3.605 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])o1)c1ccc(Cl)cc1Cl ZINC000132574166 958790003 /nfs/dbraw/zinc/79/00/03/958790003.db2.gz XAYRKTKKXWDELC-ZETCQYMHSA-N -1 0 328.151 3.776 20 0 EHADRM CC(C)Oc1cccc([C@H](C)NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC000391810194 972377996 /nfs/dbraw/zinc/37/79/96/972377996.db2.gz MYDABLFMARAWCQ-RRQGHBQHSA-N -1 0 333.428 3.542 20 0 EHADRM CN(Cc1csc(-c2ccccn2)n1)Cc1ccc(C(=O)[O-])cc1 ZINC000391835708 972381318 /nfs/dbraw/zinc/38/13/18/972381318.db2.gz JGUHEXSAIAPOTM-UHFFFAOYSA-N -1 0 339.420 3.535 20 0 EHADRM COc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)cc(OC)c1C ZINC000391862435 972383841 /nfs/dbraw/zinc/38/38/41/972383841.db2.gz YUMQHYMIUJPUHA-UHFFFAOYSA-N -1 0 349.770 3.616 20 0 EHADRM Cc1ccccc1C1(CNC(=O)[C@H](C(=O)[O-])C(C)C)CCCCC1 ZINC001594416784 959011161 /nfs/dbraw/zinc/01/11/61/959011161.db2.gz LBGFDTWBDLOEIU-QGZVFWFLSA-N -1 0 331.456 3.670 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)NCC(C)(C)c1ccc2ccccc2c1 ZINC001573490107 959012894 /nfs/dbraw/zinc/01/28/94/959012894.db2.gz VXJMMIGGLDZMOD-KRWDZBQOSA-N -1 0 327.424 3.590 20 0 EHADRM C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C(=O)[O-])c1ccccc1C(F)(F)F ZINC001588551726 959029565 /nfs/dbraw/zinc/02/95/65/959029565.db2.gz LSZOCSXJDDGYFP-JTNHKYCSSA-N -1 0 343.345 3.663 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCC[C@H](C2CCCC2)C1)CC(=O)[O-] ZINC001573531701 959163583 /nfs/dbraw/zinc/16/35/83/959163583.db2.gz LKXZZQBMZXDWJZ-RDJZCZTQSA-N -1 0 338.492 3.735 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)N[C@@H](CCCc1ccccc1)c1ccccc1 ZINC001588568996 959169357 /nfs/dbraw/zinc/16/93/57/959169357.db2.gz YNIQAWWMLBVCSA-YJBOKZPZSA-N -1 0 325.408 3.588 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1cnc(-c2ccccc2)s1)CC(=O)[O-] ZINC001573536894 959175774 /nfs/dbraw/zinc/17/57/74/959175774.db2.gz SZPCRPDFLPTTBG-ZDUSSCGKSA-N -1 0 346.452 3.677 20 0 EHADRM CSc1ccccc1NC(=O)N[C@H](C(=O)[O-])c1cccc(C)c1 ZINC001594197982 959214843 /nfs/dbraw/zinc/21/48/43/959214843.db2.gz PZUCNPNSTGKEQM-HNNXBMFYSA-N -1 0 330.409 3.664 20 0 EHADRM C[C@@H](NC(=O)[C@]1(C(=O)[O-])CC=CCC1)c1ccc2c(c1)CCCC2 ZINC001594199958 959241470 /nfs/dbraw/zinc/24/14/70/959241470.db2.gz IKWHNSOSVVPAIT-VLIAUNLRSA-N -1 0 327.424 3.554 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000392130477 972412928 /nfs/dbraw/zinc/41/29/28/972412928.db2.gz LGEORFPIZDIBCT-GFCCVEGCSA-N -1 0 340.345 3.904 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(OCc2ccccc2Cl)cc1)C(=O)[O-] ZINC001594203864 959263787 /nfs/dbraw/zinc/26/37/87/959263787.db2.gz NZPWBTBDSKCEOW-LLVKDONJSA-N -1 0 348.786 3.514 20 0 EHADRM C[C@@H](NC(=O)c1coc(/C=C/C(=O)[O-])c1)c1ccc(Cl)s1 ZINC001594206534 959273340 /nfs/dbraw/zinc/27/33/40/959273340.db2.gz VJGCAOLVMMASLB-IBDUZEINSA-N -1 0 325.773 3.583 20 0 EHADRM O=C([O-])C1(CNC(=O)c2cc(Cl)ccc2Cl)CCCCC1 ZINC000165615355 959285941 /nfs/dbraw/zinc/28/59/41/959285941.db2.gz POOCMUYNDZCHRY-UHFFFAOYSA-N -1 0 330.211 3.758 20 0 EHADRM C[C@@H](CC(=O)N1[C@H](C)CCC[C@@H]1C(=O)[O-])c1c[nH]c2ccccc21 ZINC001573575853 959328329 /nfs/dbraw/zinc/32/83/29/959328329.db2.gz GBKYCBMTTYKOKW-OGHNNQOOSA-N -1 0 328.412 3.516 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1)C1CC1 ZINC001588589018 959330911 /nfs/dbraw/zinc/33/09/11/959330911.db2.gz AWYQOPDDHMEYNS-NSHDSACASA-N -1 0 328.412 3.543 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(C(=O)[O-])cn1)Cc1ccc(Cl)cc1 ZINC001573577623 959338322 /nfs/dbraw/zinc/33/83/22/959338322.db2.gz XIFPVVQSHZFHEM-NSHDSACASA-N -1 0 332.787 3.641 20 0 EHADRM C[C@@H](C(=O)[O-])c1noc(Cc2csc(-c3ccccc3Cl)n2)n1 ZINC001588602205 959435915 /nfs/dbraw/zinc/43/59/15/959435915.db2.gz KMQDZWVIHSNMFF-MRVPVSSYSA-N -1 0 349.799 3.625 20 0 EHADRM C[C@](CNC(=O)c1ccc(-c2ccccc2)o1)(C(=O)[O-])c1ccccc1 ZINC001573600395 959436389 /nfs/dbraw/zinc/43/63/89/959436389.db2.gz PMOKKBWJUWOIRZ-OAQYLSRUSA-N -1 0 349.386 3.719 20 0 EHADRM C[C@@H](NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(F)cc1Cl ZINC000180015823 959437999 /nfs/dbraw/zinc/43/79/99/959437999.db2.gz JILNLGWKJJQFPT-VWYCJHECSA-N -1 0 327.783 3.547 20 0 EHADRM CCN(C(=O)c1cc(C(=O)[O-])co1)[C@@H](C)c1cc2ccccc2o1 ZINC000183772987 959448764 /nfs/dbraw/zinc/44/87/64/959448764.db2.gz QULRKNZJHIIIQG-NSHDSACASA-N -1 0 327.336 3.947 20 0 EHADRM C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)c1cc(C(=O)[O-])co1 ZINC000183816569 959451532 /nfs/dbraw/zinc/45/15/32/959451532.db2.gz FGIORQBJMUINJO-QMMMGPOBSA-N -1 0 342.178 3.646 20 0 EHADRM C[C@H](C(=O)[O-])c1noc(COC(c2ccccc2)c2ccccc2)n1 ZINC001588604141 959465907 /nfs/dbraw/zinc/46/59/07/959465907.db2.gz ZTMOQTLCMCCUIK-ZDUSSCGKSA-N -1 0 338.363 3.564 20 0 EHADRM C[C@H](Cn1ccc2ccccc21)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001573610814 959479273 /nfs/dbraw/zinc/47/92/73/959479273.db2.gz KJMQZFSSJIKFIE-WBVHZDCISA-N -1 0 342.439 3.523 20 0 EHADRM C[C@H](NC(=O)Nc1cccnc1C(=O)[O-])c1cccc(C2CC2)c1 ZINC001573621025 959510906 /nfs/dbraw/zinc/51/09/06/959510906.db2.gz VZTSAIUJDMQYAI-NSHDSACASA-N -1 0 325.368 3.540 20 0 EHADRM Cc1c(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)cnn1C(C)C ZINC000190899899 959528308 /nfs/dbraw/zinc/52/83/08/959528308.db2.gz GVQDLINAQSWXTF-UHFFFAOYSA-N -1 0 343.408 3.938 20 0 EHADRM Cc1cc(C)c(CC(=O)Nc2ccc(OCC(=O)[O-])cc2C)c(C)c1 ZINC000190947359 959531661 /nfs/dbraw/zinc/53/16/61/959531661.db2.gz FFOULPJYEOWOJM-UHFFFAOYSA-N -1 0 341.407 3.565 20 0 EHADRM C[C@@H](NC(=O)c1coc(/C=C/C(=O)[O-])c1)c1c(F)cccc1Cl ZINC001573625886 959540855 /nfs/dbraw/zinc/54/08/55/959540855.db2.gz WTISGTJBMPUCRQ-VUHVRTRXSA-N -1 0 337.734 3.661 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CC(C)(C)CC(=O)[O-] ZINC000191130479 959541610 /nfs/dbraw/zinc/54/16/10/959541610.db2.gz AOOPAALZJXQWIW-JTQLQIEISA-N -1 0 346.254 3.932 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)CC(C)(C)CC(=O)[O-] ZINC000191130495 959542478 /nfs/dbraw/zinc/54/24/78/959542478.db2.gz AOOPAALZJXQWIW-SNVBAGLBSA-N -1 0 346.254 3.932 20 0 EHADRM Cc1ccc(CCC(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000191401253 959560973 /nfs/dbraw/zinc/56/09/73/959560973.db2.gz FDJYTBXLVGOXBX-OAHLLOKOSA-N -1 0 325.408 3.830 20 0 EHADRM COc1ccc(CCC(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1 ZINC000191413124 959561774 /nfs/dbraw/zinc/56/17/74/959561774.db2.gz MNTSHUIEDYLZST-AWEZNQCLSA-N -1 0 341.407 3.530 20 0 EHADRM C[C@@H](Nc1ncnc2sc3c(c21)CCC3)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603256131 972439885 /nfs/dbraw/zinc/43/98/85/972439885.db2.gz GSHBZRKQMBZTOI-ADEWGFFLSA-N -1 0 345.468 3.727 20 0 EHADRM Cc1[nH]c2c(cccc2C(=O)NCC2(C(=O)[O-])CCCCC2)c1C ZINC000191516101 959575942 /nfs/dbraw/zinc/57/59/42/959575942.db2.gz LWJARMQJAZWBCL-UHFFFAOYSA-N -1 0 328.412 3.550 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NC2(Cc3ccccc3)CCCC2)C1 ZINC000191628053 959586637 /nfs/dbraw/zinc/58/66/37/959586637.db2.gz ZMUFNTDFOGAWFP-IAGOWNOFSA-N -1 0 329.440 3.549 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1cccc(COCc2ccco2)c1 ZINC001588634311 959636556 /nfs/dbraw/zinc/63/65/56/959636556.db2.gz OTNXTKRADZKDQU-MRXNPFEDSA-N -1 0 345.395 3.682 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ccc2nc(C(F)(F)F)oc2c1 ZINC001588634821 959645292 /nfs/dbraw/zinc/64/52/92/959645292.db2.gz VOEBXIVBTHBLAT-JTQLQIEISA-N -1 0 344.289 3.532 20 0 EHADRM CC1(C)CCN(C(=O)c2coc(/C=C\C(=O)[O-])c2)c2ccccc21 ZINC001573667248 959699549 /nfs/dbraw/zinc/69/95/49/959699549.db2.gz IWUJIOXDNCXEDD-FPLPWBNLSA-N -1 0 325.364 3.706 20 0 EHADRM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N1CCC[C@]1(C)C(=O)[O-] ZINC001594266619 959745156 /nfs/dbraw/zinc/74/51/56/959745156.db2.gz KXMJLGZFODPYJW-IFXJQAMLSA-N -1 0 332.444 3.531 20 0 EHADRM Cc1noc(C)c1-c1ccc(OC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc1 ZINC001594495529 959751794 /nfs/dbraw/zinc/75/17/94/959751794.db2.gz AABWJAPAYHVUGD-OAHLLOKOSA-N -1 0 331.368 3.611 20 0 EHADRM Cc1noc(C)c1-c1ccc(OC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc1 ZINC001594495517 959752087 /nfs/dbraw/zinc/75/20/87/959752087.db2.gz AABWJAPAYHVUGD-HNNXBMFYSA-N -1 0 331.368 3.611 20 0 EHADRM C[C@@]1(c2cccc(F)c2)CCN(C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC001573689296 959754200 /nfs/dbraw/zinc/75/42/00/959754200.db2.gz GFQGTNOSAHSKFM-LJQANCHMSA-N -1 0 342.370 3.719 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ccnc(C(=O)[O-])c2)C1 ZINC001573700979 959831606 /nfs/dbraw/zinc/83/16/06/959831606.db2.gz KBOIPFCIQRCBMC-MEDUHNTESA-N -1 0 343.358 3.534 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001573701769 959837252 /nfs/dbraw/zinc/83/72/52/959837252.db2.gz RTXOUXXRMIMNNY-XJKCOSOUSA-N -1 0 339.395 3.578 20 0 EHADRM N#Cc1ccc(NCCc2ccccc2C(=O)[O-])cc1Br ZINC000228165989 959996862 /nfs/dbraw/zinc/99/68/62/959996862.db2.gz SHZUWTAORYCUAI-UHFFFAOYSA-N -1 0 345.196 3.674 20 0 EHADRM CC(C)c1ccc(CNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000392434640 972485600 /nfs/dbraw/zinc/48/56/00/972485600.db2.gz IOYJJNHNAAZRQO-UHFFFAOYSA-N -1 0 330.359 3.969 20 0 EHADRM O=C([O-])c1occc1COc1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC000231638769 960198085 /nfs/dbraw/zinc/19/80/85/960198085.db2.gz SCYBIKNHCFHADW-UHFFFAOYSA-N -1 0 332.095 3.772 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2cc3ccccc3c(Cl)n2)cc1 ZINC000392602240 972500900 /nfs/dbraw/zinc/50/09/00/972500900.db2.gz YFDBFZFDXOLOCW-UHFFFAOYSA-N -1 0 340.766 3.768 20 0 EHADRM CC(C)(C)N(Cc1ccsc1)C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001588659816 960431835 /nfs/dbraw/zinc/43/18/35/960431835.db2.gz RFLGFKOUVJQATA-UHFFFAOYSA-N -1 0 347.436 3.652 20 0 EHADRM C[C@H](CC(F)(F)F)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC001123278939 960435076 /nfs/dbraw/zinc/43/50/76/960435076.db2.gz AQPSQBNPIQMRCM-KCJUWKMLSA-N -1 0 337.725 3.561 20 0 EHADRM C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCC(=O)C[C@@H]3C)c2C(=O)[O-])C1 ZINC001573737745 960461517 /nfs/dbraw/zinc/46/15/17/960461517.db2.gz CIFFOVZCWVSWHU-JFGNBEQYSA-N -1 0 349.452 3.515 20 0 EHADRM Cc1cccc(C2(C(=O)N3CCc4ccc(C(=O)[O-])cc43)CCC2)c1 ZINC000392667644 972507921 /nfs/dbraw/zinc/50/79/21/972507921.db2.gz WJNGSUPQTQDNSH-UHFFFAOYSA-N -1 0 335.403 3.704 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(F)cc2C(C)(F)F)CC[C@H]1C(=O)[O-] ZINC001573750127 960551982 /nfs/dbraw/zinc/55/19/82/960551982.db2.gz VJRRSVQYZKCLFY-MWLCHTKSSA-N -1 0 344.333 3.512 20 0 EHADRM O=C([O-])C1(CNC(=O)c2ccc(Oc3ccccc3)cc2)CCCC1 ZINC000392717020 972513715 /nfs/dbraw/zinc/51/37/15/972513715.db2.gz DCKQWOHKJMRQMV-UHFFFAOYSA-N -1 0 339.391 3.854 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)NC2(c3ccc(Cl)cc3)CC2)c1 ZINC001605800941 972516165 /nfs/dbraw/zinc/51/61/65/972516165.db2.gz SGEGFXYGTIIKNG-UHFFFAOYSA-N -1 0 344.798 3.527 20 0 EHADRM CC[C@@H](C)Oc1cc(C(=O)Nc2c(C)cccc2C(=O)[O-])ccn1 ZINC001573776559 960691419 /nfs/dbraw/zinc/69/14/19/960691419.db2.gz NXPUPLRPEHDIKL-GFCCVEGCSA-N -1 0 328.368 3.518 20 0 EHADRM Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)cc1F ZINC000236636070 960721535 /nfs/dbraw/zinc/72/15/35/960721535.db2.gz BYBWQYHVTHPVBF-UHFFFAOYSA-N -1 0 331.343 3.872 20 0 EHADRM CC(C)[C@H](CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000236644152 960723389 /nfs/dbraw/zinc/72/33/89/960723389.db2.gz ZJXDPVOUEJBRTO-WMZOPIPTSA-N -1 0 331.456 3.920 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1cc(-c2cc(C)cc(C)c2)[nH]n1 ZINC001573784612 960731397 /nfs/dbraw/zinc/73/13/97/960731397.db2.gz HIZCDSQKUORIOT-UHFFFAOYSA-N -1 0 329.400 3.523 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])nn1C1CCCCC1 ZINC001574312752 960771452 /nfs/dbraw/zinc/77/14/52/960771452.db2.gz VRVYAHMTAVYDAW-HNNXBMFYSA-N -1 0 349.475 3.706 20 0 EHADRM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])o1 ZINC000236907905 960795970 /nfs/dbraw/zinc/79/59/70/960795970.db2.gz VLMCVMRYYSDSBC-HUUCEWRRSA-N -1 0 327.380 3.776 20 0 EHADRM CCN(Cc1ccccc1)C(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000236957871 960811075 /nfs/dbraw/zinc/81/10/75/960811075.db2.gz WZAQZPZZGJRHMR-CQSZACIVSA-N -1 0 343.448 3.914 20 0 EHADRM CCN(CC(=O)[O-])C(=O)c1ccccc1SCc1cccs1 ZINC000236972678 960819233 /nfs/dbraw/zinc/81/92/33/960819233.db2.gz LGMNHXLTOWYWPF-UHFFFAOYSA-N -1 0 335.450 3.587 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CCSc1ccccc1F ZINC000237024139 960839242 /nfs/dbraw/zinc/83/92/42/960839242.db2.gz PWJPYUICQYBGQC-UHFFFAOYSA-N -1 0 347.411 3.665 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CCSc1ccc(F)cc1 ZINC000237023999 960839898 /nfs/dbraw/zinc/83/98/98/960839898.db2.gz JMMYMMOJQJCLOK-UHFFFAOYSA-N -1 0 347.411 3.665 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CCc1ccc(Cl)cc1 ZINC000237025033 960840032 /nfs/dbraw/zinc/84/00/32/960840032.db2.gz ILFDINUMIZOLIP-UHFFFAOYSA-N -1 0 331.799 3.629 20 0 EHADRM CN(CCCOc1ccc(Cl)cc1)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000237097405 960871139 /nfs/dbraw/zinc/87/11/39/960871139.db2.gz RIEQJGRQNVLKMO-UHFFFAOYSA-N -1 0 347.798 3.579 20 0 EHADRM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(C(=O)[O-])o1 ZINC000237254517 960894366 /nfs/dbraw/zinc/89/43/66/960894366.db2.gz MZLBQGMBLQFCRN-UHFFFAOYSA-N -1 0 328.151 3.557 20 0 EHADRM COc1ccc2c(c1)CCC[C@@H]2CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000237256900 960895378 /nfs/dbraw/zinc/89/53/78/960895378.db2.gz FCRLPQXEAULOGB-CQSZACIVSA-N -1 0 339.391 3.842 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)ccc1Br ZINC001574333236 960900711 /nfs/dbraw/zinc/90/07/11/960900711.db2.gz LWTYRQDDVIEFME-ZDUSSCGKSA-N -1 0 340.217 3.587 20 0 EHADRM CC[C@H](OC(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1cccc(Br)c1 ZINC001573813677 960916189 /nfs/dbraw/zinc/91/61/89/960916189.db2.gz ORHNIOHEDMRCCG-UPJWGTAASA-N -1 0 341.201 3.554 20 0 EHADRM Cc1ccc(Cl)c(O[C@H](C)C(=O)NCCCCCCC(=O)[O-])c1 ZINC000237428912 960934533 /nfs/dbraw/zinc/93/45/33/960934533.db2.gz DLWBKSZBFRFZPA-CYBMUJFWSA-N -1 0 341.835 3.567 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)CCCc1ccccc1)C(=O)[O-] ZINC000237480805 960944307 /nfs/dbraw/zinc/94/43/07/960944307.db2.gz QTDQHYIMAMQILX-KRWDZBQOSA-N -1 0 339.435 3.759 20 0 EHADRM C[C@@H](CC1CCCCC1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000237490363 960946365 /nfs/dbraw/zinc/94/63/65/960946365.db2.gz QSBDVNQVGXXDQP-KBXCAEBGSA-N -1 0 329.440 3.631 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001319416545 960947359 /nfs/dbraw/zinc/94/73/59/960947359.db2.gz IAVGVVJONPEJFR-LBPRGKRZSA-N -1 0 327.380 3.834 20 0 EHADRM C[C@@H](C(=O)Nc1cccc(OCC(=O)[O-])c1)c1cc2ccccc2o1 ZINC000237494446 960949014 /nfs/dbraw/zinc/94/90/14/960949014.db2.gz PPWMZASAEXFNLI-GFCCVEGCSA-N -1 0 339.347 3.638 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)N[C@@H]2c3ccccc3CC[C@H]2C)C1 ZINC001573820799 960952324 /nfs/dbraw/zinc/95/23/24/960952324.db2.gz UJAUBQQQEJBQOL-LIVBEALHSA-N -1 0 344.455 3.596 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1Cl ZINC000237526355 960952734 /nfs/dbraw/zinc/95/27/34/960952734.db2.gz KASDBYVLJHEYKN-BLLLJJGKSA-N -1 0 331.799 3.840 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000237519864 960953431 /nfs/dbraw/zinc/95/34/31/960953431.db2.gz KARKGAMSEPEOIM-AWEZNQCLSA-N -1 0 343.448 3.665 20 0 EHADRM C[C@H](NC(=O)CC(C)(C)CC(=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000237569829 960965563 /nfs/dbraw/zinc/96/55/63/960965563.db2.gz KBVIAGVEBFRCJC-LBPRGKRZSA-N -1 0 346.452 3.878 20 0 EHADRM C[C@H]1CCc2c(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)csc2C1 ZINC000237613499 960974895 /nfs/dbraw/zinc/97/48/95/960974895.db2.gz LAKAOKUEWANLQW-APYUEPQZSA-N -1 0 347.480 3.731 20 0 EHADRM Cc1ccc2c(c1)S[C@H](C(=O)Nc1cc(C(=O)[O-])ccc1C)C2 ZINC001320658386 960979923 /nfs/dbraw/zinc/97/99/23/960979923.db2.gz BEDHUYFHXNBATF-INIZCTEOSA-N -1 0 327.405 3.657 20 0 EHADRM CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(C(=O)[O-])cc2C)c1 ZINC001320765142 960987158 /nfs/dbraw/zinc/98/71/58/960987158.db2.gz VUKPFZHLPYHSEQ-UHFFFAOYSA-N -1 0 346.770 3.557 20 0 EHADRM Cc1ccc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1-n1cccc1 ZINC001574351347 960991207 /nfs/dbraw/zinc/99/12/07/960991207.db2.gz PQQNHKKVJVMDJU-KRWDZBQOSA-N -1 0 340.423 3.645 20 0 EHADRM Cc1oc(-c2cccs2)nc1CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000237667700 960991466 /nfs/dbraw/zinc/99/14/66/960991466.db2.gz VXSJVMJTUASWDV-UHFFFAOYSA-N -1 0 342.376 3.591 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC001574357341 961006503 /nfs/dbraw/zinc/00/65/03/961006503.db2.gz NXDGGBYAABSVKK-BFYDXBDKSA-N -1 0 347.455 3.740 20 0 EHADRM Cc1[nH]c2ccc(C(=O)N[C@@H](CC(=O)[O-])c3cccs3)cc2c1C ZINC000237727441 961008446 /nfs/dbraw/zinc/00/84/46/961008446.db2.gz GANMRLQIKHBOJZ-HNNXBMFYSA-N -1 0 342.420 3.792 20 0 EHADRM Cc1[nH]c2c(cccc2C(=O)Nc2cc(C(=O)[O-])ccc2F)c1C ZINC000237725173 961009580 /nfs/dbraw/zinc/00/95/80/961009580.db2.gz XYCIDCMZRIEPFT-UHFFFAOYSA-N -1 0 326.327 3.874 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000237789459 961023637 /nfs/dbraw/zinc/02/36/37/961023637.db2.gz SFDLAQLAGXDZQW-KGLIPLIRSA-N -1 0 345.420 3.571 20 0 EHADRM Cc1ccc(-c2nc(C(=O)NCCCCCCC(=O)[O-])cs2)cc1 ZINC000237808032 961028004 /nfs/dbraw/zinc/02/80/04/961028004.db2.gz RPBOZJAQDBONHW-UHFFFAOYSA-N -1 0 346.452 3.883 20 0 EHADRM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001574361576 961029306 /nfs/dbraw/zinc/02/93/06/961029306.db2.gz OISDJOGXIPSQRM-NRSFXHEJSA-N -1 0 344.455 3.731 20 0 EHADRM Cc1ccc(C2=CCN(C(=O)NC[C@H](CC(C)C)C(=O)[O-])CC2)cc1 ZINC001574362742 961034558 /nfs/dbraw/zinc/03/45/58/961034558.db2.gz WECOCSNILLUXKV-SFHVURJKSA-N -1 0 344.455 3.541 20 0 EHADRM Cc1ccc(CCC2CCN(C(=O)[C@]3(C(=O)[O-])CC3(C)C)CC2)cc1 ZINC001574366622 961039579 /nfs/dbraw/zinc/03/95/79/961039579.db2.gz MHDUBFQVLXJMIH-NRFANRHFSA-N -1 0 343.467 3.667 20 0 EHADRM CCC[C@H](Cc1ccccc1)NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001573836365 961054532 /nfs/dbraw/zinc/05/45/32/961054532.db2.gz RQHJDASQOCVSQG-ZNFPLGDCSA-N -1 0 327.380 3.519 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000237982677 961066281 /nfs/dbraw/zinc/06/62/81/961066281.db2.gz QNUNKKLPNMYBPL-HNHYXYPQSA-N -1 0 346.814 3.679 20 0 EHADRM CCC[C@@H]1[C@@H](C)CCCN1C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001573840902 961071863 /nfs/dbraw/zinc/07/18/63/961071863.db2.gz JSSLHEMOWCAUKH-VPWXQRGCSA-N -1 0 346.471 3.639 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc3[nH]c(C4CCC4)nc3c2)s1 ZINC000238025267 961080980 /nfs/dbraw/zinc/08/09/80/961080980.db2.gz LKRSIXFJIDELMI-UHFFFAOYSA-N -1 0 341.392 3.842 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c1 ZINC000238037384 961083433 /nfs/dbraw/zinc/08/34/33/961083433.db2.gz JWUGEGFFSWNWMT-UHFFFAOYSA-N -1 0 344.754 3.537 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000238131733 961119362 /nfs/dbraw/zinc/11/93/62/961119362.db2.gz CLYSANFXFHKVGQ-UHFFFAOYSA-N -1 0 325.242 3.536 20 0 EHADRM CC(C)(C)Oc1cc(F)ccc1NC(=O)NC1(C(=O)[O-])CCCC1 ZINC001588734398 961120498 /nfs/dbraw/zinc/12/04/98/961120498.db2.gz AZABBKUMXZPDAT-UHFFFAOYSA-N -1 0 338.379 3.522 20 0 EHADRM CC(C)(C)OCc1ccccc1C(=O)NCc1ccccc1C(=O)[O-] ZINC001588734921 961131646 /nfs/dbraw/zinc/13/16/46/961131646.db2.gz TZWNCTUJWVDAIY-UHFFFAOYSA-N -1 0 341.407 3.630 20 0 EHADRM Cc1cccc([C@H](C)C(=O)Nc2sc3c(c2C(=O)[O-])COCC3)c1 ZINC001574388775 961151338 /nfs/dbraw/zinc/15/13/38/961151338.db2.gz LFHFDNXUXBOCRS-NSHDSACASA-N -1 0 345.420 3.570 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)CCCc2ccccc2)cc1 ZINC000238200764 961154863 /nfs/dbraw/zinc/15/48/63/961154863.db2.gz YQSGTVINHDTWCN-UHFFFAOYSA-N -1 0 327.380 3.502 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)Cc2cccc3ccccc32)cc1 ZINC000238205393 961158723 /nfs/dbraw/zinc/15/87/23/961158723.db2.gz PKSAZFHFLZOFLK-UHFFFAOYSA-N -1 0 349.386 3.875 20 0 EHADRM O=C([O-])c1cccc(C(=O)NCc2ccccc2OC2CCCC2)c1 ZINC000238209155 961161414 /nfs/dbraw/zinc/16/14/14/961161414.db2.gz UQXCNGFDVHCFGV-UHFFFAOYSA-N -1 0 339.391 3.636 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)c3ccc(Cl)nc3)ccc2s1 ZINC000238209620 961161488 /nfs/dbraw/zinc/16/14/88/961161488.db2.gz TYAZSZFFTUAWHZ-UHFFFAOYSA-N -1 0 332.768 3.900 20 0 EHADRM Cc1cccc([C@@H]2CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C2)c1 ZINC001574394945 961203536 /nfs/dbraw/zinc/20/35/36/961203536.db2.gz KIFGEXMPHTYKIO-FUHWJXTLSA-N -1 0 346.471 3.631 20 0 EHADRM Cc1ccccc1C1(NC(=O)NCc2ccccc2C(=O)[O-])CCC1 ZINC001574402242 961240151 /nfs/dbraw/zinc/24/01/51/961240151.db2.gz WEPCTTPMTHWEBF-UHFFFAOYSA-N -1 0 338.407 3.572 20 0 EHADRM COc1cccc([C@@H]2CCCN2C(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC001329287748 961261153 /nfs/dbraw/zinc/26/11/53/961261153.db2.gz KNSCCMXYZIQVOQ-SFHVURJKSA-N -1 0 339.391 3.679 20 0 EHADRM CC(C)(Oc1cccc(Cl)c1)c1nc(C2(C(=O)[O-])CCC2)no1 ZINC001588794908 961373697 /nfs/dbraw/zinc/37/36/97/961373697.db2.gz VFONQGKAPWBMSD-UHFFFAOYSA-N -1 0 336.775 3.543 20 0 EHADRM COc1ccc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c(C(=O)[O-])c1 ZINC000261719978 961389717 /nfs/dbraw/zinc/38/97/17/961389717.db2.gz QOICOLJMJLZWSR-UWVGGRQHSA-N -1 0 345.317 3.701 20 0 EHADRM CC[C@H](C)[C@H](C(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000261902604 961397102 /nfs/dbraw/zinc/39/71/02/961397102.db2.gz PCAIAWVXRRDCLP-FCEWJHQRSA-N -1 0 331.456 3.920 20 0 EHADRM CCc1ccc(F)cc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001331882644 961399798 /nfs/dbraw/zinc/39/97/98/961399798.db2.gz CJUFWXNMFSKWMZ-KRWDZBQOSA-N -1 0 329.371 3.642 20 0 EHADRM CN(C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)C1(C(=O)[O-])CCCCC1 ZINC000261924584 961399817 /nfs/dbraw/zinc/39/98/17/961399817.db2.gz SCHVGVSRYZZGJX-NWDGAFQWSA-N -1 0 335.366 3.601 20 0 EHADRM Cc1cccc(C[C@]2(C)CCCN2C(=O)c2ccc(C(=O)[O-])o2)c1 ZINC001331895549 961404912 /nfs/dbraw/zinc/40/49/12/961404912.db2.gz MDESVFCMRJRLTA-IBGZPJMESA-N -1 0 327.380 3.524 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N2CCC[C@@H]2c2ccccc2Cl)c1 ZINC000262072074 961431982 /nfs/dbraw/zinc/43/19/82/961431982.db2.gz ALMXXLPDZCFGGA-QGZVFWFLSA-N -1 0 343.810 3.944 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)N[C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC001588803446 961449018 /nfs/dbraw/zinc/44/90/18/961449018.db2.gz AAFZXKSBIDDSBL-LSDHHAIUSA-N -1 0 348.830 3.672 20 0 EHADRM O=C([O-])[C@H](CC1CC1)NC(=O)c1cc(-c2ccccc2)ccc1Cl ZINC000262140675 961493672 /nfs/dbraw/zinc/49/36/72/961493672.db2.gz AEFABNGGMTWTKK-KRWDZBQOSA-N -1 0 343.810 3.990 20 0 EHADRM Cc1ccc(CCCC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)s1 ZINC000262145276 961498274 /nfs/dbraw/zinc/49/82/74/961498274.db2.gz MKHATOZOSOXDIC-KRWDZBQOSA-N -1 0 343.448 3.590 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1CC[C@H]3CCCC[C@H]3C1)CC2 ZINC000262167556 961517011 /nfs/dbraw/zinc/51/70/11/961517011.db2.gz HKEKRAINQFJBDC-HYVNUMGLSA-N -1 0 341.451 3.876 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1CC[C@@H]3CCCC[C@@H]3C1)CC2 ZINC000262167557 961517651 /nfs/dbraw/zinc/51/76/51/961517651.db2.gz HKEKRAINQFJBDC-USXIJHARSA-N -1 0 341.451 3.876 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N(CC1CCC1)CC(F)(F)F ZINC000262196965 961544163 /nfs/dbraw/zinc/54/41/63/961544163.db2.gz RQEJHXZOSPKJDZ-UHFFFAOYSA-N -1 0 343.345 3.508 20 0 EHADRM CCOc1cccc(NCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)c1 ZINC001573925207 961546027 /nfs/dbraw/zinc/54/60/27/961546027.db2.gz USBDUEDFLNDMIT-AWEZNQCLSA-N -1 0 344.411 3.591 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N1CCC2(CCCCC2)CC1 ZINC000262204672 961550044 /nfs/dbraw/zinc/55/00/44/961550044.db2.gz OZNIOCTZLMNLBL-UHFFFAOYSA-N -1 0 329.440 3.890 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000262267987 961606498 /nfs/dbraw/zinc/60/64/98/961606498.db2.gz XOKVVSKRQXDPNG-GOSISDBHSA-N -1 0 343.810 3.848 20 0 EHADRM CC[C@@](C)(NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000262372720 961678305 /nfs/dbraw/zinc/67/83/05/961678305.db2.gz BCGSCPCMEUNKLX-ZUZCIYMTSA-N -1 0 331.334 3.569 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1F)C1CC1 ZINC000262423456 961712328 /nfs/dbraw/zinc/71/23/28/961712328.db2.gz QUKXJYRIBOAJNU-KRWDZBQOSA-N -1 0 327.355 3.713 20 0 EHADRM O=C([O-])CC1CCN(C(=O)CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000262452255 961729816 /nfs/dbraw/zinc/72/98/16/961729816.db2.gz PNAVKXVKKQKJNO-UHFFFAOYSA-N -1 0 344.238 3.639 20 0 EHADRM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001588833398 961734796 /nfs/dbraw/zinc/73/47/96/961734796.db2.gz KSBSOJUSHKGBSZ-YHWKNFMLSA-N -1 0 345.370 3.514 20 0 EHADRM CN(C(=O)NCc1ccc(C(=O)[O-])cc1)[C@H]1CCC[C@H]1C(C)(C)C ZINC001573980191 961766463 /nfs/dbraw/zinc/76/64/63/961766463.db2.gz ZELGZHQQCLMGIV-CVEARBPZSA-N -1 0 332.444 3.741 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2cc(-c3ccccc3)ccc2Cl)C1 ZINC000262681822 961804297 /nfs/dbraw/zinc/80/42/97/961804297.db2.gz ATHZSMNQAUOLPM-CABCVRRESA-N -1 0 343.810 3.990 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)Nc2ccccc2SC(F)F)CC1 ZINC000262703785 961815430 /nfs/dbraw/zinc/81/54/30/961815430.db2.gz IXMIJNYIZHXKDA-MGCOHNPYSA-N -1 0 329.368 3.831 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2CC3(CCCC3)c3c2cccc3F)CC1 ZINC000262708355 961816727 /nfs/dbraw/zinc/81/67/27/961816727.db2.gz KNVSCMMDVUZYKQ-HDJSIYSDSA-N -1 0 345.414 3.875 20 0 EHADRM CCOc1ccccc1-c1cccc(C(=O)N(C)C[C@@H](C)C(=O)[O-])c1 ZINC000262731149 961835024 /nfs/dbraw/zinc/83/50/24/961835024.db2.gz DECNSZWXWNYAOM-CQSZACIVSA-N -1 0 341.407 3.545 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)Nc2ccc3[nH]c(C4CCC4)nc3c2)CC1 ZINC000262738632 961838884 /nfs/dbraw/zinc/83/88/84/961838884.db2.gz VVOJJZKZFKVKKV-JOCQHMNTSA-N -1 0 341.411 3.660 20 0 EHADRM CC[C@H](C)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000262744789 961844052 /nfs/dbraw/zinc/84/40/52/961844052.db2.gz AKEBNVAQHUNBRB-GWCFXTLKSA-N -1 0 342.233 3.517 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000262746439 961845870 /nfs/dbraw/zinc/84/58/70/961845870.db2.gz HTRDPDPXTNJEAY-NSHDSACASA-N -1 0 331.334 3.507 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000262749094 961847683 /nfs/dbraw/zinc/84/76/83/961847683.db2.gz AEBJMGJWPQKMPS-AWEZNQCLSA-N -1 0 347.798 3.846 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000262788851 961867469 /nfs/dbraw/zinc/86/74/69/961867469.db2.gz MYXSEHKRJDMMQF-KUHUBIRLSA-N -1 0 329.396 3.813 20 0 EHADRM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1ccnc(C(=O)[O-])c1 ZINC000262817539 961884427 /nfs/dbraw/zinc/88/44/27/961884427.db2.gz PSKSTUPGQJQSMF-NSHDSACASA-N -1 0 347.440 3.501 20 0 EHADRM C[C@H](CC(=O)NCCCCCCC(=O)[O-])c1ccc(F)cc1F ZINC000262840846 961908124 /nfs/dbraw/zinc/90/81/24/961908124.db2.gz ZQPHRUMDSGGMPS-GFCCVEGCSA-N -1 0 327.371 3.610 20 0 EHADRM CC(C)C[C@H](CNC(=O)NCCc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001588851607 961932573 /nfs/dbraw/zinc/93/25/73/961932573.db2.gz BCONKPUYGAKJSA-MRXNPFEDSA-N -1 0 348.487 3.573 20 0 EHADRM COc1cc(NC(=O)C2(Cc3ccccc3)CCC2)ccc1C(=O)[O-] ZINC000262900515 961977744 /nfs/dbraw/zinc/97/77/44/961977744.db2.gz IRFWPUWBCKCZNJ-UHFFFAOYSA-N -1 0 339.391 3.745 20 0 EHADRM CC[C@@H](C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC000262916122 961996814 /nfs/dbraw/zinc/99/68/14/961996814.db2.gz IAMYSFOWBDITCQ-SJLPKXTDSA-N -1 0 341.382 3.530 20 0 EHADRM Cc1ccc(CC2CCN(C(=O)c3ccc(C(=O)[O-])s3)CC2)cc1 ZINC001339079256 961999091 /nfs/dbraw/zinc/99/90/91/961999091.db2.gz MTNILNVWQLYMQC-UHFFFAOYSA-N -1 0 343.448 3.850 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000262916334 961999650 /nfs/dbraw/zinc/99/96/50/961999650.db2.gz JBPJMOKPJWNAQU-ULKVZQIESA-N -1 0 349.430 3.655 20 0 EHADRM CC(C)Cc1ccc(C(=O)CCC(=O)NC(C)(C)CCC(=O)[O-])cc1 ZINC000262919290 962001139 /nfs/dbraw/zinc/00/11/39/962001139.db2.gz UWBLZDQYCHOEQQ-UHFFFAOYSA-N -1 0 347.455 3.608 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)c2ccc(F)c(Cl)c2)c2ccccc21 ZINC001574558566 962005340 /nfs/dbraw/zinc/00/53/40/962005340.db2.gz XXLNPKKNEAHDJW-WFASDCNBSA-N -1 0 333.746 3.522 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCC=CCCC2)c2ccccc21 ZINC001574564490 962028315 /nfs/dbraw/zinc/02/83/15/962028315.db2.gz IWCRSCJZBVGAJG-OLMNPRSZSA-N -1 0 342.439 3.735 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)CCCC1 ZINC000262943621 962029734 /nfs/dbraw/zinc/02/97/34/962029734.db2.gz QCCIYNYMWIVSEA-MSOLQXFVSA-N -1 0 337.419 3.847 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)CC1(C(F)(F)F)CC1 ZINC001339491346 962029978 /nfs/dbraw/zinc/02/99/78/962029978.db2.gz APUPJINQVRPCRM-UHFFFAOYSA-N -1 0 345.317 3.843 20 0 EHADRM CC(C)(CCNC(=O)C1(Sc2ccccc2)CCCC1)C(=O)[O-] ZINC000262951399 962036791 /nfs/dbraw/zinc/03/67/91/962036791.db2.gz IKLCBSGLQZHBLW-UHFFFAOYSA-N -1 0 335.469 3.709 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)Cc1ccc(C)cc1 ZINC000262967021 962053805 /nfs/dbraw/zinc/05/38/05/962053805.db2.gz OJANFKPSKHPKMZ-CYBMUJFWSA-N -1 0 327.380 3.519 20 0 EHADRM Cc1oc(CNC(=O)CCCCCc2cccs2)cc1C(=O)[O-] ZINC000262979069 962067820 /nfs/dbraw/zinc/06/78/20/962067820.db2.gz MTGWWVFAYVVVDC-UHFFFAOYSA-N -1 0 335.425 3.767 20 0 EHADRM C/C(=C\C(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1)c1ccc(F)cc1 ZINC001340564786 962102772 /nfs/dbraw/zinc/10/27/72/962102772.db2.gz UMONERBGSBRPAJ-GPZRYRNASA-N -1 0 341.382 3.870 20 0 EHADRM CC(C)C[C@@H](C)n1nccc1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263012078 962111716 /nfs/dbraw/zinc/11/17/16/962111716.db2.gz HTZFPIUCFTWVGH-CYBMUJFWSA-N -1 0 344.415 3.510 20 0 EHADRM Cc1oc(CNC(=O)c2oc3c(c2C)c(C)ccc3C)cc1C(=O)[O-] ZINC000263030328 962144416 /nfs/dbraw/zinc/14/44/16/962144416.db2.gz ULHYKCXEABTYKM-UHFFFAOYSA-N -1 0 341.363 3.888 20 0 EHADRM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000263044232 962171395 /nfs/dbraw/zinc/17/13/95/962171395.db2.gz PKMHXYSQTMDGIS-LLVKDONJSA-N -1 0 345.361 3.501 20 0 EHADRM COCc1cc(NC(=O)c2ccc(C(C)C)cc2)cc(C(=O)[O-])c1 ZINC000263051848 962184707 /nfs/dbraw/zinc/18/47/07/962184707.db2.gz GDQHTYJJNQTHEC-UHFFFAOYSA-N -1 0 327.380 3.907 20 0 EHADRM CC(C)C[C@H](CNC(=O)N[C@@H](C)CCCC(F)(F)F)CC(=O)[O-] ZINC001588892793 962214050 /nfs/dbraw/zinc/21/40/50/962214050.db2.gz GSNMLJFGIQMKER-RYUDHWBXSA-N -1 0 340.386 3.544 20 0 EHADRM Cc1cccc(Oc2ccccc2C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)c1 ZINC000263081290 962225390 /nfs/dbraw/zinc/22/53/90/962225390.db2.gz CYGFZQPRDVHOOG-GOEBONIOSA-N -1 0 339.391 3.723 20 0 EHADRM Cc1ccc(OCCCC(=O)NCc2ccc(C(=O)[O-])s2)cc1C ZINC000263109228 962259728 /nfs/dbraw/zinc/25/97/28/962259728.db2.gz DJPVMEMVHXATEQ-UHFFFAOYSA-N -1 0 347.436 3.539 20 0 EHADRM Cc1cc(C)c(OCC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c(C)c1 ZINC000263328373 1125481756 /nfs/dbraw/zinc/48/17/56/1125481756.db2.gz PJBQOXLHJJBYCK-HNNXBMFYSA-N -1 0 341.407 3.817 20 0 EHADRM COCc1cc(NC(=O)[C@@H]2CCCc3ccccc32)cc(C(=O)[O-])c1 ZINC000263117028 962269925 /nfs/dbraw/zinc/26/99/25/962269925.db2.gz QPFNUHCALLQQHA-GOSISDBHSA-N -1 0 339.391 3.590 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000263150234 962303922 /nfs/dbraw/zinc/30/39/22/962303922.db2.gz LTVLBRHOWIOCOJ-HZPDHXFCSA-N -1 0 327.355 3.883 20 0 EHADRM O=C([O-])C1(C(=O)NCc2cccc(Cl)c2F)CCCCCC1 ZINC001574633755 962319761 /nfs/dbraw/zinc/31/97/61/962319761.db2.gz USEGDYGOZBNATC-UHFFFAOYSA-N -1 0 327.783 3.521 20 0 EHADRM C[C@H](Oc1cccc2ccccc21)C(=O)NCCCCCCC(=O)[O-] ZINC000263173834 962327491 /nfs/dbraw/zinc/32/74/91/962327491.db2.gz QKNONQQCTHPHFI-HNNXBMFYSA-N -1 0 343.423 3.758 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCC2(c3cccs3)CCCCC2)C1 ZINC000263176853 962330049 /nfs/dbraw/zinc/33/00/49/962330049.db2.gz GRGSMOXSVIFQDG-UONOGXRCSA-N -1 0 335.469 3.567 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCC2(c3cccc(F)c3)CCCCC2)C1 ZINC000263192700 962347413 /nfs/dbraw/zinc/34/74/13/962347413.db2.gz IUBCGTMPTOUFEB-LSDHHAIUSA-N -1 0 347.430 3.645 20 0 EHADRM Cc1ccc(-c2c[nH]cc2C(=O)NCC2(CC(=O)[O-])CCCC2)s1 ZINC001346349635 962357885 /nfs/dbraw/zinc/35/78/85/962357885.db2.gz NYYSPVITVNMRQI-UHFFFAOYSA-N -1 0 346.452 3.817 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3CCC[C@H](C4CCCC4)C3)(CC1)CC2 ZINC001346383113 962369519 /nfs/dbraw/zinc/36/95/19/962369519.db2.gz MITLRFXXBKEYLH-DZIBYMRMSA-N -1 0 333.472 3.840 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)CCCc1csc2ccccc12 ZINC000263239304 962385864 /nfs/dbraw/zinc/38/58/64/962385864.db2.gz TVNMRUJXAULNCX-TZMCWYRMSA-N -1 0 331.437 3.546 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3CCC4(C[C@H]4C(=O)[O-])CC3)s2)o1 ZINC000263250086 962393761 /nfs/dbraw/zinc/39/37/61/962393761.db2.gz JHNUBZHGXBSBAV-LBPRGKRZSA-N -1 0 345.420 3.643 20 0 EHADRM CC[C@@H](CC(=O)NC(CC)(CC)CC(=O)[O-])c1ccc(OC)cc1 ZINC000263265763 962404914 /nfs/dbraw/zinc/40/49/14/962404914.db2.gz KUMVIAQGNVYEON-AWEZNQCLSA-N -1 0 335.444 3.729 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C1 ZINC000263274729 962414967 /nfs/dbraw/zinc/41/49/67/962414967.db2.gz MYZOSIBRLRPZGN-AYMQEEERSA-N -1 0 333.403 3.626 20 0 EHADRM CO[C@H](C(=O)[O-])C(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1 ZINC001574106681 962448642 /nfs/dbraw/zinc/44/86/42/962448642.db2.gz XKBORJOBOBAONF-LRDDRELGSA-N -1 0 345.420 3.578 20 0 EHADRM O=C([O-])[C@@H](c1ccsc1)N1CCO[C@H](c2ccc(Cl)s2)C1 ZINC001349590889 962474802 /nfs/dbraw/zinc/47/48/02/962474802.db2.gz CJDJQDNOHJEKQV-GXFFZTMASA-N -1 0 343.857 3.662 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N(C)[C@H](C)c1ccccc1Cl ZINC000263413181 962580443 /nfs/dbraw/zinc/58/04/43/962580443.db2.gz JIMJSUWHIWCQRS-LLVKDONJSA-N -1 0 335.787 3.702 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000263455209 962644099 /nfs/dbraw/zinc/64/40/99/962644099.db2.gz UIYVEKJLMLHZAK-LSDHHAIUSA-N -1 0 341.407 3.542 20 0 EHADRM CC(C)c1ccc([C@H]2CCCN2C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cc1 ZINC001588967087 962653469 /nfs/dbraw/zinc/65/34/69/962653469.db2.gz ZNEKTIISLONYEK-BRWVUGGUSA-N -1 0 330.428 3.520 20 0 EHADRM CN(C(=O)c1cccc(Nc2ccccc2)c1)C(C)(C)CC(=O)[O-] ZINC001354053160 962707290 /nfs/dbraw/zinc/70/72/90/962707290.db2.gz YFTBZVCDRLVEDE-UHFFFAOYSA-N -1 0 326.396 3.756 20 0 EHADRM CCOc1ccccc1[C@H](CC)NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000263544022 962719710 /nfs/dbraw/zinc/71/97/10/962719710.db2.gz SFQSOARTVQMSFO-DZKIICNBSA-N -1 0 333.428 3.544 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000263550568 962723176 /nfs/dbraw/zinc/72/31/76/962723176.db2.gz WEDBGUXTDGRRRH-CJNGLKHVSA-N -1 0 345.826 3.503 20 0 EHADRM CC(C)c1ocnc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001588981426 962733957 /nfs/dbraw/zinc/73/39/57/962733957.db2.gz XNCBJWBXIQFHKF-UHFFFAOYSA-N -1 0 326.711 3.541 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)C1 ZINC000263381346 1125485030 /nfs/dbraw/zinc/48/50/30/1125485030.db2.gz XIPIYEIEVPWMSJ-RPCUQHNUSA-N -1 0 333.472 3.552 20 0 EHADRM COc1ccc(SCCC(=O)OCc2ccc(C(=O)[O-])cc2)cc1 ZINC001574223178 962967157 /nfs/dbraw/zinc/96/71/57/962967157.db2.gz VMSRAEZCTQJXGB-UHFFFAOYSA-N -1 0 346.404 3.619 20 0 EHADRM Cc1oc(-c2ccccc2)cc1C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001549911757 962981906 /nfs/dbraw/zinc/98/19/06/962981906.db2.gz RAUDBBREXVCYSI-XLIONFOSSA-N -1 0 339.391 3.724 20 0 EHADRM CN(Cc1ccccc1)C(=O)COc1c(C(=O)[O-])ccc2ccccc21 ZINC000301135389 963063700 /nfs/dbraw/zinc/06/37/00/963063700.db2.gz JFUOUVKDLMOIFS-UHFFFAOYSA-N -1 0 349.386 3.575 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2OCc2ccccc2)nc1 ZINC000312025034 963529041 /nfs/dbraw/zinc/52/90/41/963529041.db2.gz WBJZKGHAMQGEEY-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM CCCCCNC(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000312500627 963568635 /nfs/dbraw/zinc/56/86/35/963568635.db2.gz XSNLHWIBUNPEHD-UHFFFAOYSA-N -1 0 343.221 3.767 20 0 EHADRM COc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)[O-])c1 ZINC000316765381 964053472 /nfs/dbraw/zinc/05/34/72/964053472.db2.gz WBWGQGDWUMLCEU-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccccc2Nc2ccccc2)CC[C@H]1C(=O)[O-] ZINC000262809018 967827357 /nfs/dbraw/zinc/82/73/57/967827357.db2.gz AXJXNCIUMZEMQR-GDBMZVCRSA-N -1 0 338.407 3.613 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)Nc2cc(Cl)ccc2F)C1 ZINC000314617308 967968801 /nfs/dbraw/zinc/96/88/01/967968801.db2.gz FZYOMIOVVAGGJD-JTQLQIEISA-N -1 0 328.771 3.588 20 0 EHADRM Cc1c(C(=O)Nc2ncccc2C(=O)[O-])sc2cccc(F)c12 ZINC000320727587 968008582 /nfs/dbraw/zinc/00/85/82/968008582.db2.gz TYKFKFYUGMKTPT-UHFFFAOYSA-N -1 0 330.340 3.694 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCC[C@@H](C(C)C)CC1)CC(=O)[O-] ZINC000321345962 968013439 /nfs/dbraw/zinc/01/34/39/968013439.db2.gz BGIAEWWSNRWAHP-JKSUJKDBSA-N -1 0 326.481 3.591 20 0 EHADRM Cc1ccc(CCC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1Cl ZINC000321634490 968014028 /nfs/dbraw/zinc/01/40/28/968014028.db2.gz VZNUYPRLRVUJDJ-OAHLLOKOSA-N -1 0 337.847 3.684 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2cc(Cl)nc3ccccc32)C1 ZINC000326374927 968044208 /nfs/dbraw/zinc/04/42/08/968044208.db2.gz KJWQRZLUMXUXLN-GFCCVEGCSA-N -1 0 346.814 3.605 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc3c(c2)CCCCC3)C1 ZINC000404589641 968327599 /nfs/dbraw/zinc/32/75/99/968327599.db2.gz WQEWTHIOPOXRGZ-XJKSGUPXSA-N -1 0 330.428 3.530 20 0 EHADRM Cc1cc(F)ccc1[C@H]1CCCN1C(=O)NCCCCCC(=O)[O-] ZINC000414623984 968338766 /nfs/dbraw/zinc/33/87/66/968338766.db2.gz IBASTQNSEHOHKI-MRXNPFEDSA-N -1 0 336.407 3.626 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000417775543 968345930 /nfs/dbraw/zinc/34/59/30/968345930.db2.gz NNOXKBHNUYQHLI-UHFFFAOYSA-N -1 0 343.383 3.639 20 0 EHADRM C[C@H]1CCCN(C(=O)c2ccc(CCC(F)(F)F)cc2)[C@@H]1C(=O)[O-] ZINC000424256263 968352830 /nfs/dbraw/zinc/35/28/30/968352830.db2.gz MKQDJNGSERRUSM-FZMZJTMJSA-N -1 0 343.345 3.507 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CCCCC2)C1 ZINC000532875708 968400698 /nfs/dbraw/zinc/40/06/98/968400698.db2.gz CHGAQIOBXQWZLL-OAHLLOKOSA-N -1 0 347.430 3.741 20 0 EHADRM Cc1sc(NC(=O)[C@@H](C(=O)[O-])C(C)C)nc1-c1ccc(F)cc1 ZINC000563211393 968416636 /nfs/dbraw/zinc/41/66/36/968416636.db2.gz PDEHWUSGXLEQIC-LBPRGKRZSA-N -1 0 336.388 3.553 20 0 EHADRM Cc1sc(NC(=O)[C@H](C(=O)[O-])C(C)C)nc1-c1ccc(F)cc1 ZINC000563211390 968417001 /nfs/dbraw/zinc/41/70/01/968417001.db2.gz PDEHWUSGXLEQIC-GFCCVEGCSA-N -1 0 336.388 3.553 20 0 EHADRM Cc1cc(NC(=O)N2CCC(C)(C(=O)[O-])CC2)ccc1OC(C)C ZINC000647697081 968577308 /nfs/dbraw/zinc/57/73/08/968577308.db2.gz PHQWTPGLQIWAHX-UHFFFAOYSA-N -1 0 334.416 3.501 20 0 EHADRM Cc1nc(-c2ccccc2NC(=O)NC2(CC(=O)[O-])CCC2)cs1 ZINC000649543116 968593564 /nfs/dbraw/zinc/59/35/64/968593564.db2.gz AXYJWPAGIRBSKB-UHFFFAOYSA-N -1 0 345.424 3.637 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000653315609 968656000 /nfs/dbraw/zinc/65/60/00/968656000.db2.gz KNSWZJAEVZESHQ-SJKOYZFVSA-N -1 0 343.354 3.696 20 0 EHADRM COc1cc(-c2ccccc2)sc1C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000655572560 968683646 /nfs/dbraw/zinc/68/36/46/968683646.db2.gz CKRQHYWOFUGURD-ZDUSSCGKSA-N -1 0 347.436 3.510 20 0 EHADRM CC(C)[C@H](NC(=O)NCC1(C(=O)[O-])CCC1)c1ccc(Cl)cc1 ZINC000659392168 968729695 /nfs/dbraw/zinc/72/96/95/968729695.db2.gz AXDRLRMUKUTWEA-AWEZNQCLSA-N -1 0 338.835 3.591 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000659756520 968744585 /nfs/dbraw/zinc/74/45/85/968744585.db2.gz RGZITDVKRKLCDN-UHFFFAOYSA-N -1 0 327.380 3.700 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(c2ncnc3ccccc32)CC1 ZINC000668169933 968850471 /nfs/dbraw/zinc/85/04/71/968850471.db2.gz QQFJOSUNSBFOGI-UHFFFAOYSA-N -1 0 333.391 3.712 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)NC[C@H](CC(=O)[O-])CC(C)C)cc1C ZINC000846121625 969248793 /nfs/dbraw/zinc/24/87/93/969248793.db2.gz KWMOWFNYVHOWJK-INIZCTEOSA-N -1 0 347.455 3.520 20 0 EHADRM Cc1ccccc1[C@H]1CCCN1C(=O)NCc1ccccc1C(=O)[O-] ZINC000874409404 969387818 /nfs/dbraw/zinc/38/78/18/969387818.db2.gz JOBURCNSUYSTTP-GOSISDBHSA-N -1 0 338.407 3.740 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1c(Cl)cccc1C(F)(F)F ZINC000901437872 969428465 /nfs/dbraw/zinc/42/84/65/969428465.db2.gz JMKOSJBFKPOIFG-UHFFFAOYSA-N -1 0 337.725 3.734 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)Nc2ccc3c(c2)C=CCCC3)C[C@H]1C1CC1 ZINC000926179655 969658358 /nfs/dbraw/zinc/65/83/58/969658358.db2.gz RQJYESHFISAOMM-ZWKOTPCHSA-N -1 0 340.423 3.611 20 0 EHADRM CCC[C@](C)(NC(=O)NC1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC001340493735 969743984 /nfs/dbraw/zinc/74/39/84/969743984.db2.gz ASJJFAUTCFEHAS-KJXMEXGPSA-N -1 0 332.444 3.645 20 0 EHADRM CC(C)(NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)[O-] ZINC001588791077 969898708 /nfs/dbraw/zinc/89/87/08/969898708.db2.gz BWWGLMNMSAOMIF-UHFFFAOYSA-N -1 0 341.285 3.558 20 0 EHADRM O=C([O-])c1cncc(NC(=O)N2CC3(CCCC3)c3ccccc32)c1 ZINC001606544959 970307949 /nfs/dbraw/zinc/30/79/49/970307949.db2.gz JTCITEDPPOOJNQ-UHFFFAOYSA-N -1 0 337.379 3.644 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC001606546117 970313187 /nfs/dbraw/zinc/31/31/87/970313187.db2.gz GTRCXTZYYOJACC-CVEARBPZSA-N -1 0 332.359 3.675 20 0 EHADRM COc1ccc(CCN(CC(C)(C)C)C(=O)CCCCC(=O)[O-])cc1 ZINC000289750247 970319248 /nfs/dbraw/zinc/31/92/48/970319248.db2.gz MBQQJECBVJTXRH-UHFFFAOYSA-N -1 0 349.471 3.757 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)CSCc2cccs2)cc1F ZINC000317674453 970377547 /nfs/dbraw/zinc/37/75/47/970377547.db2.gz LCXLWJXDLHEFHT-UHFFFAOYSA-N -1 0 343.376 3.596 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)COc1ccc(Cl)c(C)c1 ZINC000317943084 970398752 /nfs/dbraw/zinc/39/87/52/970398752.db2.gz RFZDUAKSDGWFPB-UHFFFAOYSA-N -1 0 339.800 3.734 20 0 EHADRM O=C([O-])c1ccc([N+](=O)[O-])c(OCc2ccc(Cl)cc2F)c1 ZINC000319136526 970507351 /nfs/dbraw/zinc/50/73/51/970507351.db2.gz BUKCRJSPTBVWRO-UHFFFAOYSA-N -1 0 325.679 3.665 20 0 EHADRM C[C@H]1CCN(C(=O)CCSc2ccccc2Cl)[C@H](C(=O)[O-])C1 ZINC000319368389 970529282 /nfs/dbraw/zinc/52/92/82/970529282.db2.gz YKNSGEFHNKCVJQ-AAEUAGOBSA-N -1 0 341.860 3.534 20 0 EHADRM Cc1nc(Cl)c(Cl)cc1C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000319510734 970542378 /nfs/dbraw/zinc/54/23/78/970542378.db2.gz YJADMQIPKAZAJR-UHFFFAOYSA-N -1 0 339.178 3.956 20 0 EHADRM Cc1cc(NC(=O)c2ccc(-n3cccc3)cc2)sc1C(=O)[O-] ZINC000320014285 970602234 /nfs/dbraw/zinc/60/22/34/970602234.db2.gz NXMXTJQHRHLAHI-UHFFFAOYSA-N -1 0 326.377 3.798 20 0 EHADRM Cc1ccccc1N(CCC(=O)[O-])C(=O)Cc1ccc(Cl)cc1 ZINC000320047936 970606149 /nfs/dbraw/zinc/60/61/49/970606149.db2.gz PRDAVVXUFMCAMH-UHFFFAOYSA-N -1 0 331.799 3.699 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2cc(F)c(F)c(F)c2F)s1 ZINC000320384852 970656882 /nfs/dbraw/zinc/65/68/82/970656882.db2.gz BXNPZJFPSRDCIK-UHFFFAOYSA-N -1 0 347.289 3.817 20 0 EHADRM Cc1ccc(Cl)c(OCC(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC000320425581 970661983 /nfs/dbraw/zinc/66/19/83/970661983.db2.gz KFPISTLKFOYDRH-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000320561774 970678879 /nfs/dbraw/zinc/67/88/79/970678879.db2.gz RUFNDIKKOXYODA-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM O=C([O-])c1ccc(SCC(=O)N2CCC[C@@H]3CCCC[C@@H]32)cc1 ZINC000320654411 970692090 /nfs/dbraw/zinc/69/20/90/970692090.db2.gz KPDKCLZNOUWQRM-BBRMVZONSA-N -1 0 333.453 3.658 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccccc2SC(F)(F)F)C1 ZINC000320810799 970717762 /nfs/dbraw/zinc/71/77/62/970717762.db2.gz ZXTFITYPVSOBDQ-CQSZACIVSA-N -1 0 347.358 3.625 20 0 EHADRM CSCCCN1CC[C@@H](C(=O)[O-])c2cc(Br)ccc21 ZINC001604958846 972544931 /nfs/dbraw/zinc/54/49/31/972544931.db2.gz QZLIKZGNPUIBEU-LLVKDONJSA-N -1 0 344.274 3.581 20 0 EHADRM CSc1ccc(Cl)c(NC(=O)NCCC(C)(C)C(=O)[O-])c1 ZINC001604965173 972556135 /nfs/dbraw/zinc/55/61/35/972556135.db2.gz ZWJSPJQHMNUITQ-UHFFFAOYSA-N -1 0 330.837 3.684 20 0 EHADRM COc1cc(NC(=O)Cc2ccc3ccccc3c2)ccc1C(=O)[O-] ZINC000393215810 972571417 /nfs/dbraw/zinc/57/14/17/972571417.db2.gz ORMNQHRESOPMLP-UHFFFAOYSA-N -1 0 335.359 3.728 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)Nc2cc(Cl)cc(Cl)c2F)C1 ZINC001605844696 972582562 /nfs/dbraw/zinc/58/25/62/972582562.db2.gz DVDXKJLRHHLLGO-SVRRBLITSA-N -1 0 335.162 3.507 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001604999816 972600953 /nfs/dbraw/zinc/60/09/53/972600953.db2.gz XHTKRKPOPIFKGI-MROQNXINSA-N -1 0 335.366 3.599 20 0 EHADRM CN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001604188578 972615297 /nfs/dbraw/zinc/61/52/97/972615297.db2.gz AYFLBLICDNDVIG-AWEZNQCLSA-N -1 0 343.345 3.555 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NCc1ccccc1Oc1ccccc1 ZINC001603321592 972643411 /nfs/dbraw/zinc/64/34/11/972643411.db2.gz UWHZXVVMWVEJHE-HXUWFJFHSA-N -1 0 339.391 3.596 20 0 EHADRM C[C@H](NC(=O)c1cc(Cl)ccc1SC1CCCC1)C(=O)[O-] ZINC001605042426 972657686 /nfs/dbraw/zinc/65/76/86/972657686.db2.gz IQNFXYZKVKPRES-VIFPVBQESA-N -1 0 327.833 3.578 20 0 EHADRM CC1(C)CCc2nc(NC(=O)Cc3ccccc3C(=O)[O-])sc2C1 ZINC001603329170 972690336 /nfs/dbraw/zinc/69/03/36/972690336.db2.gz CAJKGZBSVAYRNJ-UHFFFAOYSA-N -1 0 344.436 3.537 20 0 EHADRM CC1(C)CN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)[C@@H]1c1ccccc1 ZINC001603329331 972691989 /nfs/dbraw/zinc/69/19/89/972691989.db2.gz JIRJZQYOOXITLJ-FPISAVPCSA-N -1 0 325.364 3.601 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1ccc(Nc2ccccc2)nc1)C1CCCC1 ZINC001605900486 972722849 /nfs/dbraw/zinc/72/28/49/972722849.db2.gz CMCFRZLXVXSWJM-KRWDZBQOSA-N -1 0 339.395 3.655 20 0 EHADRM Cc1cc(-c2csc(NC(=O)[C@H](C(=O)[O-])C(C)C)n2)ccc1F ZINC001605091264 972736068 /nfs/dbraw/zinc/73/60/68/972736068.db2.gz ACZXUMZCGTYHLS-CYBMUJFWSA-N -1 0 336.388 3.553 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC[C@@H]1CCCCC1(F)F ZINC000394682333 972737278 /nfs/dbraw/zinc/73/72/78/972737278.db2.gz ZHESRJKPNOAGCN-WOLRVDTOSA-N -1 0 326.339 3.997 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CC(c3ccc(Cl)cc3)C2)c1 ZINC001605131393 972792369 /nfs/dbraw/zinc/79/23/69/972792369.db2.gz KGVCXRUYJBAQGQ-UHFFFAOYSA-N -1 0 329.783 3.586 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@H](c2ccccc2)c2ccccn2)c1 ZINC001605132621 972799255 /nfs/dbraw/zinc/79/92/55/972799255.db2.gz UONROSHMARAQPN-LJQANCHMSA-N -1 0 346.386 3.608 20 0 EHADRM Cc1cc(F)ccc1C1CCN(C(=O)[C@H](C(=O)[O-])C(C)(C)C)CC1 ZINC001605179067 972889531 /nfs/dbraw/zinc/88/95/31/972889531.db2.gz CQKSESZKKONNMN-MRXNPFEDSA-N -1 0 335.419 3.587 20 0 EHADRM Cc1cc(F)ccc1[C@@H](C)NC(=O)Nc1ccccc1CC(=O)[O-] ZINC001605187395 972904521 /nfs/dbraw/zinc/90/45/21/972904521.db2.gz SXQSQXGZTXOCOI-GFCCVEGCSA-N -1 0 330.359 3.644 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NC[C@@H](C)c2ccccc2)cc1 ZINC000396613884 972922769 /nfs/dbraw/zinc/92/27/69/972922769.db2.gz ICPBJKMGJWJVNR-ZIAGYGMSSA-N -1 0 326.396 3.800 20 0 EHADRM Cc1cc(NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cnc1C(F)F ZINC001605202595 972944335 /nfs/dbraw/zinc/94/43/35/972944335.db2.gz QQSBECOPZYUAJZ-LLVKDONJSA-N -1 0 343.374 3.729 20 0 EHADRM Cc1cc2nc(NCc3ccccc3C(=O)[O-])c3ccccc3n2n1 ZINC001605232658 972986863 /nfs/dbraw/zinc/98/68/63/972986863.db2.gz BXJQRPNMFWPYTL-UHFFFAOYSA-N -1 0 332.363 3.501 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)N2CCCC3(CCCC3)C2)c2ccccc21 ZINC001605977370 973004519 /nfs/dbraw/zinc/00/45/19/973004519.db2.gz JQJVMRFLVZRMBD-IRXDYDNUSA-N -1 0 342.439 3.665 20 0 EHADRM C[C@H]1CCC[C@H](C2CN(C(=O)Nc3cccc(CC(=O)[O-])c3)C2)C1 ZINC001603398106 973040099 /nfs/dbraw/zinc/04/00/99/973040099.db2.gz SPNLFQXUFMQCBF-ZFWWWQNUSA-N -1 0 330.428 3.604 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cccc(-c3cnco3)c2)c2ccccc21 ZINC001606008353 973105239 /nfs/dbraw/zinc/10/52/39/973105239.db2.gz RYQFKASTTLVRGF-MRXNPFEDSA-N -1 0 348.358 3.560 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)c[nH]2)C[C@@H]1C(=O)[O-] ZINC001603425329 973145821 /nfs/dbraw/zinc/14/58/21/973145821.db2.gz LBTWUBJOAPPCCM-ABAIWWIYSA-N -1 0 346.814 3.518 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC001605320191 973152341 /nfs/dbraw/zinc/15/23/41/973152341.db2.gz CCTNYTSTAIFQNL-ZYHUDNBSSA-N -1 0 345.317 3.522 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@H](C)CCOc1ccccc1 ZINC001605320147 973152825 /nfs/dbraw/zinc/15/28/25/973152825.db2.gz ADERLWYMQFYING-CQSZACIVSA-N -1 0 327.380 3.737 20 0 EHADRM Cc1cccc([C@H](NC(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)C(=O)[O-])c1 ZINC001605326878 973163774 /nfs/dbraw/zinc/16/37/74/973163774.db2.gz ASVNMEVBOXFYNG-KURKYZTESA-N -1 0 341.382 3.570 20 0 EHADRM Cc1cccc(OC(=O)c2ccc(C(=O)[O-])cc2)c1Br ZINC001605345266 973239333 /nfs/dbraw/zinc/23/93/33/973239333.db2.gz LCRQIMAHQUBNNH-UHFFFAOYSA-N -1 0 335.153 3.675 20 0 EHADRM Cc1ccccc1CCN(C)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001605355358 973262324 /nfs/dbraw/zinc/26/23/24/973262324.db2.gz AKHLDSJTZGEYND-UHFFFAOYSA-N -1 0 340.423 3.719 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cscc1C(F)(F)F ZINC001606117970 973353863 /nfs/dbraw/zinc/35/38/63/973353863.db2.gz FQTZZEPAUMZMJB-SECBINFHSA-N -1 0 335.347 3.626 20 0 EHADRM Cc1nc(C2CCC2)sc1CC(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001605401211 973389110 /nfs/dbraw/zinc/38/91/10/973389110.db2.gz ZUXUNYASEBLOTM-UHFFFAOYSA-N -1 0 345.420 3.703 20 0 EHADRM O=C([O-])CCSCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC001606210124 973456353 /nfs/dbraw/zinc/45/63/53/973456353.db2.gz LLBKFDAIGDZLRE-UHFFFAOYSA-N -1 0 341.738 3.505 20 0 EHADRM Cc1sc(NC(=O)N[C@H](C(=O)[O-])C(C)C)nc1C1CCCCC1 ZINC001605460981 973556879 /nfs/dbraw/zinc/55/68/79/973556879.db2.gz IBUUDSDAAJSFRW-LBPRGKRZSA-N -1 0 339.461 3.730 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cc(C(=O)[O-])ccn1)c1ccccc1 ZINC001603536912 973592756 /nfs/dbraw/zinc/59/27/56/973592756.db2.gz YKPAUHKBXNGCLO-UHFFFAOYSA-N -1 0 341.411 3.659 20 0 EHADRM CC[C@H](CNC(=O)N1CCC[C@@H](C)[C@H]1c1ccc(C)cc1)C(=O)[O-] ZINC001603555678 973633843 /nfs/dbraw/zinc/63/38/43/973633843.db2.gz FGISOJZTKCDUFQ-INMHGKMJSA-N -1 0 332.444 3.588 20 0 EHADRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1N1CCC2(CC2(F)F)CC1 ZINC000405135935 973767828 /nfs/dbraw/zinc/76/78/28/973767828.db2.gz JOPUGBRGCYSQPJ-UHFFFAOYSA-N -1 0 346.717 3.572 20 0 EHADRM Cc1oc(-c2cccs2)nc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000049407032 1014139866 /nfs/dbraw/zinc/13/98/66/1014139866.db2.gz KPGHLSQVFCYJAT-GFCCVEGCSA-N -1 0 338.392 3.608 20 0 EHADRM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001603592753 973793032 /nfs/dbraw/zinc/79/30/32/973793032.db2.gz PFHFMUIMEWEPIH-XMTFNYHQSA-N -1 0 344.455 3.608 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)NC(CC(C)C)CC(C)C)C1 ZINC001603601084 973849440 /nfs/dbraw/zinc/84/94/40/973849440.db2.gz QWMLTFDHSYUQRC-GOSISDBHSA-N -1 0 326.481 3.734 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N[C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC001606400328 973855233 /nfs/dbraw/zinc/85/52/33/973855233.db2.gz ZRDODZQURZWRKA-SLBVQIDZSA-N -1 0 335.831 3.593 20 0 EHADRM CC[C@@H]1CCCc2sc(NC(=O)NC(C)(C)CCC(=O)[O-])nc21 ZINC001603619924 973918662 /nfs/dbraw/zinc/91/86/62/973918662.db2.gz OUNINUCKGGCRMS-SNVBAGLBSA-N -1 0 339.461 3.738 20 0 EHADRM COc1cc(NC(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2)ccc1Cl ZINC001604732644 973942659 /nfs/dbraw/zinc/94/26/59/973942659.db2.gz JAAVKQDGLWTOIE-OAHLLOKOSA-N -1 0 348.786 3.604 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)NCCCCCC(=O)[O-])C2)cc1 ZINC000414630863 973944242 /nfs/dbraw/zinc/94/42/42/973944242.db2.gz UWVDCKCHIRBUPT-NVXWUHKLSA-N -1 0 332.444 3.527 20 0 EHADRM Cc1cc(N2CCSCC2)ccc1NCc1cccc(C(=O)[O-])c1 ZINC000414637420 973945445 /nfs/dbraw/zinc/94/54/45/973945445.db2.gz MJOFOSCWWHDRIF-UHFFFAOYSA-N -1 0 342.464 3.859 20 0 EHADRM O=C([O-])c1ccc(CNc2ccc([C@@H](O)C(F)(F)F)cc2)s1 ZINC001606494809 973977591 /nfs/dbraw/zinc/97/75/91/973977591.db2.gz DKXBRDPAINHYNW-GFCCVEGCSA-N -1 0 331.315 3.654 20 0 EHADRM CCCN(C(=O)NCCC(C)(C)C(=O)[O-])[C@@H]1CCc2ccccc21 ZINC000424398549 974028769 /nfs/dbraw/zinc/02/87/69/974028769.db2.gz OHESLIAQURLIAG-MRXNPFEDSA-N -1 0 332.444 3.596 20 0 EHADRM Nc1c(Cl)cc(NC(=O)C2(C(=O)[O-])CCCCC2)cc1Cl ZINC001605653641 974031324 /nfs/dbraw/zinc/03/13/24/974031324.db2.gz OOXGIVVPIYPKFS-UHFFFAOYSA-N -1 0 331.199 3.549 20 0 EHADRM C[C@@H]1CCCC[C@@H]1C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000425242009 974039816 /nfs/dbraw/zinc/03/98/16/974039816.db2.gz BMUILSNDQONTRH-OCCSQVGLSA-N -1 0 339.382 3.594 20 0 EHADRM O=C([O-])[C@@H](NCc1cccc(OCC(F)(F)F)c1)c1ccsc1 ZINC000426795004 974047646 /nfs/dbraw/zinc/04/76/46/974047646.db2.gz WLDFCMLEQSPROH-ZDUSSCGKSA-N -1 0 345.342 3.605 20 0 EHADRM Cc1cc(Cl)c(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cc1C ZINC000431443576 974064458 /nfs/dbraw/zinc/06/44/58/974064458.db2.gz FMGUTZWTMKALPU-KRWDZBQOSA-N -1 0 343.810 3.609 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)Cc1csc2ccc(Cl)cc12 ZINC000431528124 974067807 /nfs/dbraw/zinc/06/78/07/974067807.db2.gz JPGXQPMMBWYHAC-JTQLQIEISA-N -1 0 339.844 3.809 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cncnc1-c1ccccc1 ZINC000431987733 974080934 /nfs/dbraw/zinc/08/09/34/974080934.db2.gz QVACPEPKIAFGJT-UHFFFAOYSA-N -1 0 347.374 3.711 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000439919840 974112541 /nfs/dbraw/zinc/11/25/41/974112541.db2.gz FJFPIAZEVINUHF-INIZCTEOSA-N -1 0 345.826 3.854 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000439920469 974113165 /nfs/dbraw/zinc/11/31/65/974113165.db2.gz MJFJPGWWAYJLSO-WBMJQRKESA-N -1 0 331.799 3.840 20 0 EHADRM CC[C@@H](C(=O)N[C@](C)(CC(=O)[O-])c1cccc(F)c1)c1ccccc1 ZINC000448995669 974134680 /nfs/dbraw/zinc/13/46/80/974134680.db2.gz FAMKKXFFDHHLNS-YLJYHZDGSA-N -1 0 343.398 3.826 20 0 EHADRM CCN(Cc1cccc(Cl)c1)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001603749488 974193083 /nfs/dbraw/zinc/19/30/83/974193083.db2.gz JVIMYFYHLYYGDU-CLFYSBASSA-N -1 0 333.771 3.693 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@H](C)Oc1ccc(F)cc1 ZINC000472021801 974200376 /nfs/dbraw/zinc/20/03/76/974200376.db2.gz YDMOBSJIDCCCQQ-LBPRGKRZSA-N -1 0 331.343 3.547 20 0 EHADRM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000478848339 974211362 /nfs/dbraw/zinc/21/13/62/974211362.db2.gz AOMLCYRWBFDCOO-KRWDZBQOSA-N -1 0 347.361 3.660 20 0 EHADRM COc1ccc(F)cc1C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000507281425 974276253 /nfs/dbraw/zinc/27/62/53/974276253.db2.gz QBHOJZAMCRJQSW-UHFFFAOYSA-N -1 0 347.342 3.572 20 0 EHADRM Cc1nc(-c2ccco2)ccc1C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000514771534 974291610 /nfs/dbraw/zinc/29/16/10/974291610.db2.gz RCIFKPWUFPUETG-UHFFFAOYSA-N -1 0 342.395 3.557 20 0 EHADRM COc1ccc(-c2nc(CN3CC[C@H](C)C[C@@H]3C(=O)[O-])cs2)cc1 ZINC000517381620 974317607 /nfs/dbraw/zinc/31/76/07/974317607.db2.gz NLNFCQPCEZOVQD-BLLLJJGKSA-N -1 0 346.452 3.504 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCc2c(Cl)cc(Cl)cc2[C@@H]1C ZINC000518562729 974324586 /nfs/dbraw/zinc/32/45/86/974324586.db2.gz NIICNJZHHSUFKL-UWVGGRQHSA-N -1 0 344.238 3.940 20 0 EHADRM O=C([O-])c1cc(CN2CCO[C@H](c3ccccc3Cl)C2)cs1 ZINC000522008006 974349238 /nfs/dbraw/zinc/34/92/38/974349238.db2.gz KQAGXHYKEGYRAW-AWEZNQCLSA-N -1 0 337.828 3.673 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N3CCC(F)(F)C[C@@H]3C)c12 ZINC000530177364 974363870 /nfs/dbraw/zinc/36/38/70/974363870.db2.gz GTXBLVJQNNRUOK-ZETCQYMHSA-N -1 0 341.383 3.630 20 0 EHADRM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1nc2ccccc2n1C(F)F ZINC000530180059 974365400 /nfs/dbraw/zinc/36/54/00/974365400.db2.gz QGOQMTGWBRRZSV-QWRGUYRKSA-N -1 0 337.370 3.505 20 0 EHADRM CC(C)c1cc(C(=O)NC2(CC(=O)[O-])CCCCC2)nn1C(C)(C)C ZINC000531744005 974367459 /nfs/dbraw/zinc/36/74/59/974367459.db2.gz XAMSLUGHOOTTRJ-UHFFFAOYSA-N -1 0 349.475 3.669 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000537480170 974385555 /nfs/dbraw/zinc/38/55/55/974385555.db2.gz WUDJKYRDPQSVIF-IBGZPJMESA-N -1 0 339.435 3.715 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cccc(OCC=C(C)C)c1 ZINC000538473660 974389019 /nfs/dbraw/zinc/38/90/19/974389019.db2.gz VNHVVAMPKLLFCX-UHFFFAOYSA-N -1 0 333.428 3.795 20 0 EHADRM Cc1cccc2cc(C(=O)N3CCc4ccc(C(=O)[O-])cc4C3)oc21 ZINC000538573414 974390984 /nfs/dbraw/zinc/39/09/84/974390984.db2.gz COFGVOBYBWOAQH-UHFFFAOYSA-N -1 0 335.359 3.638 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000538577123 974391626 /nfs/dbraw/zinc/39/16/26/974391626.db2.gz LAPUEHMWOILASZ-INIZCTEOSA-N -1 0 339.476 3.656 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000538577124 974391795 /nfs/dbraw/zinc/39/17/95/974391795.db2.gz LAPUEHMWOILASZ-MRXNPFEDSA-N -1 0 339.476 3.656 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000539676024 974398304 /nfs/dbraw/zinc/39/83/04/974398304.db2.gz BXTLTOPAQJFDLE-HNNXBMFYSA-N -1 0 347.455 3.730 20 0 EHADRM CN(Cc1cccc2ccccc21)C(=O)Cc1ccccc1C(=O)[O-] ZINC000539675876 974398371 /nfs/dbraw/zinc/39/83/71/974398371.db2.gz SCDODGXAFQGWLL-UHFFFAOYSA-N -1 0 333.387 3.739 20 0 EHADRM CN(Cc1ccc2ccccc2c1)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000540774374 974407464 /nfs/dbraw/zinc/40/74/64/974407464.db2.gz LOXRFFMDSFKXHB-UHFFFAOYSA-N -1 0 333.387 3.739 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)CSc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001603926196 974417385 /nfs/dbraw/zinc/41/73/85/974417385.db2.gz GTQDECAUSPIQGC-LRDDRELGSA-N -1 0 337.485 3.692 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1)C(=O)[O-] ZINC001603951593 974430158 /nfs/dbraw/zinc/43/01/58/974430158.db2.gz IORRIKDFPVQSBD-ZDUSSCGKSA-N -1 0 349.774 3.512 20 0 EHADRM CC[C@H](NC(=O)Nc1cccc(-c2ccc(F)c(F)c2)c1)C(=O)[O-] ZINC001603951740 974432025 /nfs/dbraw/zinc/43/20/25/974432025.db2.gz SGORRMFMRWDZAI-HNNXBMFYSA-N -1 0 334.322 3.617 20 0 EHADRM CCn1c(SCCC2(C(=O)[O-])CCC2)nnc1-c1ccccc1 ZINC001604006666 974511532 /nfs/dbraw/zinc/51/15/32/974511532.db2.gz OTNQFCBWOHJTLO-UHFFFAOYSA-N -1 0 331.441 3.702 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1csc(CCc2ccccc2)n1)C1CCC1 ZINC000563730693 974538174 /nfs/dbraw/zinc/53/81/74/974538174.db2.gz IKMVLPFZMNNDQN-CQSZACIVSA-N -1 0 344.480 3.756 20 0 EHADRM CC(C)c1nnc(CN2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])s1 ZINC000564584949 974550773 /nfs/dbraw/zinc/55/07/73/974550773.db2.gz IWEXHWJMOCBBNF-UONOGXRCSA-N -1 0 337.489 3.517 20 0 EHADRM C[C@@H](NC(=O)CCc1ccccc1C(=O)[O-])[C@H]1CC2CCC1CC2 ZINC000565088163 974566805 /nfs/dbraw/zinc/56/68/05/974566805.db2.gz GGUGDTRWWZWNGE-WBTBYHMDSA-N -1 0 329.440 3.648 20 0 EHADRM CCCC[C@H](Sc1ccc2nnc(-c3ccsc3)n2n1)C(=O)[O-] ZINC000565233619 974575272 /nfs/dbraw/zinc/57/52/72/974575272.db2.gz NBFKPWMNDODRGE-NSHDSACASA-N -1 0 348.453 3.588 20 0 EHADRM COc1cccc(-c2nc(CN3CC[C@H](C)C[C@@H]3C(=O)[O-])cs2)c1 ZINC000566367347 974611910 /nfs/dbraw/zinc/61/19/10/974611910.db2.gz DKURSKYVCDNKAV-BLLLJJGKSA-N -1 0 346.452 3.504 20 0 EHADRM O=C([O-])c1cccc(Cl)c1CN1CCO[C@H](c2ccccc2F)C1 ZINC000566684344 974619967 /nfs/dbraw/zinc/61/99/67/974619967.db2.gz QTLNDOFUDOFKGS-KRWDZBQOSA-N -1 0 349.789 3.751 20 0 EHADRM CC(C)COc1ccc(NC(=O)C[C@H](C)CC(=O)[O-])cc1Cl ZINC000567406911 974634045 /nfs/dbraw/zinc/63/40/45/974634045.db2.gz WQUWEBAZJMQQNR-NSHDSACASA-N -1 0 327.808 3.814 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000567459468 974634969 /nfs/dbraw/zinc/63/49/69/974634969.db2.gz WOZLLOMWDDVVHC-LLVKDONJSA-N -1 0 337.416 3.826 20 0 EHADRM CC[C@@H]1CN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CCS1 ZINC000568098835 974662067 /nfs/dbraw/zinc/66/20/67/974662067.db2.gz VQVMFMAAISVUIO-RNCFNFMXSA-N -1 0 334.268 3.947 20 0 EHADRM Cc1sc([C@@H]2CCCN2c2nccc(C(C)(C)C)n2)nc1C(=O)[O-] ZINC000568986846 974681737 /nfs/dbraw/zinc/68/17/37/974681737.db2.gz GTLSWNRTOWSFDP-NSHDSACASA-N -1 0 346.456 3.579 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000571700954 974734318 /nfs/dbraw/zinc/73/43/18/974734318.db2.gz DOIRGYVKMDSXFB-ZDUSSCGKSA-N -1 0 339.391 3.728 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(Cl)cc2)c(C)s1 ZINC000049501703 1014216811 /nfs/dbraw/zinc/21/68/11/1014216811.db2.gz MMLMHPXPSNFGTJ-UHFFFAOYSA-N -1 0 329.830 3.712 20 0 EHADRM COc1cccc([C@H]2C[C@@H](C)CN2c2nc(C(=O)[O-])c(C)s2)c1 ZINC000580452218 974894643 /nfs/dbraw/zinc/89/46/43/974894643.db2.gz UHTBAIUKOARMLL-QMTHXVAHSA-N -1 0 332.425 3.746 20 0 EHADRM C[C@H](NCc1ccc(F)c(C(F)(F)F)c1)c1ncc(C(=O)[O-])s1 ZINC000581726875 974914730 /nfs/dbraw/zinc/91/47/30/974914730.db2.gz NMOLKXOYPHIJTF-ZETCQYMHSA-N -1 0 348.321 3.850 20 0 EHADRM C[C@H](CN(C(=O)c1cc2cccc(Cl)c2s1)C1CC1)C(=O)[O-] ZINC000582847260 974932203 /nfs/dbraw/zinc/93/22/03/974932203.db2.gz HMYVBOUACPZYMG-SECBINFHSA-N -1 0 337.828 3.880 20 0 EHADRM CC[C@H]1CN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CCS1 ZINC000583147976 974937080 /nfs/dbraw/zinc/93/70/80/974937080.db2.gz VFGQYCOPWUKKFT-QWHCGFSZSA-N -1 0 334.268 3.947 20 0 EHADRM O=C([O-])CN(CCc1ccccc1)Cc1coc(-c2cccs2)n1 ZINC000583601436 974942981 /nfs/dbraw/zinc/94/29/81/974942981.db2.gz GREFUDWNNJOJAF-UHFFFAOYSA-N -1 0 342.420 3.532 20 0 EHADRM COc1ncc(CN2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)cc1Cl ZINC000583764592 974945573 /nfs/dbraw/zinc/94/55/73/974945573.db2.gz MYOGUGVDBLZXKC-HOTGVXAUSA-N -1 0 346.814 3.534 20 0 EHADRM Cc1cc2c(ncnc2Nc2ccc(OCCCC(=O)[O-])cc2)s1 ZINC000585954092 974961399 /nfs/dbraw/zinc/96/13/99/974961399.db2.gz PPNDLZNFEZUNIC-UHFFFAOYSA-N -1 0 343.408 3.987 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)c1 ZINC000593695628 974982301 /nfs/dbraw/zinc/98/23/01/974982301.db2.gz SXRWOEXBLKJMMN-IVMMDQJWSA-N -1 0 331.437 3.545 20 0 EHADRM O=C([O-])[C@@H]1CCCCCN1C(=O)c1ccc(-c2ccccc2F)o1 ZINC000621566714 975033820 /nfs/dbraw/zinc/03/38/20/975033820.db2.gz ZNMNOVRJFASPDS-AWEZNQCLSA-N -1 0 331.343 3.555 20 0 EHADRM Cc1csc(-c2cccc(C(=O)N3CCCCC[C@@H]3C(=O)[O-])c2)n1 ZINC000621567938 975035249 /nfs/dbraw/zinc/03/52/49/975035249.db2.gz HRRGOGLOEUHVCY-OAHLLOKOSA-N -1 0 344.436 3.588 20 0 EHADRM Cc1ccc(-c2cc(C(=O)Nc3cccc(C(=O)[O-])c3C)n[nH]2)cc1 ZINC000621575478 975037737 /nfs/dbraw/zinc/03/77/37/975037737.db2.gz XZHAJLGRXVDWIN-UHFFFAOYSA-N -1 0 335.363 3.644 20 0 EHADRM CC[C@@H](C(=O)N1CCc2c(cccc2C(=O)[O-])C1)c1ccc(F)cc1 ZINC000621580071 975041467 /nfs/dbraw/zinc/04/14/67/975041467.db2.gz LPBLGBLPINSCNG-MRXNPFEDSA-N -1 0 341.382 3.602 20 0 EHADRM Cc1cc(C(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)ccc1F ZINC000621588488 975046122 /nfs/dbraw/zinc/04/61/22/975046122.db2.gz YVUMMOXYUIFWKA-IRXDYDNUSA-N -1 0 327.355 3.565 20 0 EHADRM CCCCc1ccc(CC(=O)N[C@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC000621608910 975057874 /nfs/dbraw/zinc/05/78/74/975057874.db2.gz BTHHEHJPGKSZCZ-GFCCVEGCSA-N -1 0 346.452 3.604 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000621610500 975059091 /nfs/dbraw/zinc/05/90/91/975059091.db2.gz KUMAUNHGOWSBAX-TZMCWYRMSA-N -1 0 346.452 3.533 20 0 EHADRM Cc1cc(C(F)F)oc1C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000630130230 975115579 /nfs/dbraw/zinc/11/55/79/975115579.db2.gz JJEQWWDEZZZTJV-GWCFXTLKSA-N -1 0 337.322 3.717 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)CC1CCC(F)(F)CC1)c1ccccc1 ZINC000630130479 975115677 /nfs/dbraw/zinc/11/56/77/975115677.db2.gz KCVKJAHAWXTRDY-MLGOLLRUSA-N -1 0 339.382 3.780 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)c1 ZINC000630144899 975128448 /nfs/dbraw/zinc/12/84/48/975128448.db2.gz SLRBKXMFGKIVAN-DLBZAZTESA-N -1 0 327.355 3.585 20 0 EHADRM C[C@]1(NC(=O)Cc2coc3cc(Cl)ccc23)CCCC[C@H]1C(=O)[O-] ZINC000630163400 975138204 /nfs/dbraw/zinc/13/82/04/975138204.db2.gz JNDIXVAMRYZILQ-KSSFIOAISA-N -1 0 349.814 3.778 20 0 EHADRM Cc1ccccc1CO[C@@H](C)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000630194785 975152593 /nfs/dbraw/zinc/15/25/93/975152593.db2.gz VHGYQVGXFZTADF-GJZGRUSLSA-N -1 0 341.407 3.727 20 0 EHADRM C[C@H](CC(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1)c1ccco1 ZINC000630219712 975165440 /nfs/dbraw/zinc/16/54/40/975165440.db2.gz ZMOKNBTUVIBYAF-KBMXLJTQSA-N -1 0 327.380 3.590 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)NCc2ccc(CC(=O)[O-])cc2)cc1 ZINC000630231499 975178619 /nfs/dbraw/zinc/17/86/19/975178619.db2.gz BCXLNBGUILSLBZ-HNNXBMFYSA-N -1 0 339.435 3.686 20 0 EHADRM Cc1ccc(CCCCC(=O)NCc2ccc(CC(=O)[O-])cc2)cc1 ZINC000630231873 975179300 /nfs/dbraw/zinc/17/93/00/975179300.db2.gz GJLHVKTXFHASGF-UHFFFAOYSA-N -1 0 339.435 3.651 20 0 EHADRM CCCC[C@@H](CC)C(=O)N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000630242940 975188454 /nfs/dbraw/zinc/18/84/54/975188454.db2.gz PLFABBOJYQOVNJ-GFCCVEGCSA-N -1 0 338.473 3.764 20 0 EHADRM CCC[C@@H](C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1)C(C)C ZINC000630259868 975203503 /nfs/dbraw/zinc/20/35/03/975203503.db2.gz DLRHAUKKULEJNW-DGCLKSJQSA-N -1 0 325.380 3.688 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)[C@H]2CCCC[C@H]2C2CC2)cc1F)C(=O)[O-] ZINC000630260248 975203887 /nfs/dbraw/zinc/20/38/87/975203887.db2.gz IHQCSSABWUQTQC-CQDKDKBSSA-N -1 0 349.402 3.833 20 0 EHADRM CC1(C)[C@H](c2ccc(F)cc2)CCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000630268145 975211585 /nfs/dbraw/zinc/21/15/85/975211585.db2.gz RIFZITKULAEYKG-ZDUSSCGKSA-N -1 0 347.411 3.994 20 0 EHADRM CC[C@@H](NC(=O)Cc1ccccc1C(=O)[O-])c1cc(C)ccc1C ZINC000630275184 975219908 /nfs/dbraw/zinc/21/99/08/975219908.db2.gz SGGGRONQNPLVAC-GOSISDBHSA-N -1 0 325.408 3.812 20 0 EHADRM CC[C@H](CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21)c1ccc(C)cc1 ZINC000630277368 975221762 /nfs/dbraw/zinc/22/17/62/975221762.db2.gz FXKITMZYTNBQCQ-XGXHKWSGSA-N -1 0 343.467 3.981 20 0 EHADRM Cc1ccc(C)c(S([O-])=CC(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000107967162 1014245185 /nfs/dbraw/zinc/24/51/85/1014245185.db2.gz GDCFCRDWWJRNDN-HOYKHHGWSA-N -1 0 341.476 3.605 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000630291157 975233517 /nfs/dbraw/zinc/23/35/17/975233517.db2.gz MRKBTYNJTGKCPX-LBPRGKRZSA-N -1 0 333.771 3.569 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000630296284 975235683 /nfs/dbraw/zinc/23/56/83/975235683.db2.gz AFJCVTOEDHEIGI-SFHVURJKSA-N -1 0 341.382 3.820 20 0 EHADRM CC[C@@H](c1ccccc1OC)N(C)C(=O)c1cc(C(=O)[O-])oc1C ZINC000630296334 975235786 /nfs/dbraw/zinc/23/57/86/975235786.db2.gz VIUJAMRPFMDCAD-AWEZNQCLSA-N -1 0 331.368 3.518 20 0 EHADRM CC[C@@H](CC(F)(F)F)NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000630296664 975236393 /nfs/dbraw/zinc/23/63/93/975236393.db2.gz GPSNAYUMWWEQJO-UWVGGRQHSA-N -1 0 349.374 3.713 20 0 EHADRM CC(C)c1cccc(CNC(=O)CCc2ccccc2C(=O)[O-])c1 ZINC000630298712 975237696 /nfs/dbraw/zinc/23/76/96/975237696.db2.gz IHTQATIJRUPWIA-UHFFFAOYSA-N -1 0 325.408 3.757 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N(C)[C@H]1CCC(C)(C)C1)C(=O)[O-] ZINC000630302668 975240064 /nfs/dbraw/zinc/24/00/64/975240064.db2.gz GVVTULAPXCFNGI-STQMWFEESA-N -1 0 335.469 3.903 20 0 EHADRM C[C@H](NCc1ccccc1CC(F)(F)F)c1ncc(C(=O)[O-])s1 ZINC000630461370 975265570 /nfs/dbraw/zinc/26/55/70/975265570.db2.gz AGSMMSWSVTWCTK-VIFPVBQESA-N -1 0 344.358 3.797 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000648047785 975379798 /nfs/dbraw/zinc/37/97/98/975379798.db2.gz OUCGUJXMGXWTAL-LBPRGKRZSA-N -1 0 347.367 3.888 20 0 EHADRM C[C@@H](CNC(=O)CC(C)(C)CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000648342626 975382155 /nfs/dbraw/zinc/38/21/55/975382155.db2.gz BSTIILIGZZJBKD-NSHDSACASA-N -1 0 345.361 3.816 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C1CC1)c1ccc(OCC(=O)[O-])cc1 ZINC000649251148 975389442 /nfs/dbraw/zinc/38/94/42/975389442.db2.gz MEESLKPZJZNNGR-DOPJRALCSA-N -1 0 345.439 3.544 20 0 EHADRM C[C@@H](C(=O)N(CCC(=O)[O-])Cc1ccccc1)c1ccc(Cl)cc1 ZINC000652050718 975458610 /nfs/dbraw/zinc/45/86/10/975458610.db2.gz KJACNLYUHDPRGH-CQSZACIVSA-N -1 0 345.826 3.947 20 0 EHADRM CC(C)O[C@@H](C(=O)Nc1ccc(CC(=O)[O-])c(F)c1)c1ccccc1 ZINC001591685902 975486975 /nfs/dbraw/zinc/48/69/75/975486975.db2.gz DVCGDXSGADADMQ-GOSISDBHSA-N -1 0 345.370 3.558 20 0 EHADRM C[C@H]1CN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CCc2ccc(Cl)cc21 ZINC000652092175 975488457 /nfs/dbraw/zinc/48/84/57/975488457.db2.gz DZRCPVOBXAMTID-QEJZJMRPSA-N -1 0 349.858 3.719 20 0 EHADRM CC(C)O[C@@H](C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-])c1ccccc1 ZINC001591686635 975498072 /nfs/dbraw/zinc/49/80/72/975498072.db2.gz QSCFXPHYIVGXNZ-QZTJIDSGSA-N -1 0 347.455 3.550 20 0 EHADRM CC(C)O[C@@H](C(=O)O[C@H](C)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC001591687110 975500673 /nfs/dbraw/zinc/50/06/73/975500673.db2.gz UOCMLOLJRNPFST-MLGOLLRUSA-N -1 0 332.352 3.748 20 0 EHADRM CCC[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CCO1 ZINC000652419459 975528561 /nfs/dbraw/zinc/52/85/61/975528561.db2.gz WRJBNCJWFDYFKX-QMTHXVAHSA-N -1 0 332.227 3.620 20 0 EHADRM Cc1cc([C@@H](C)N2CCO[C@H](c3ccccc3C)C2)oc1C(=O)[O-] ZINC000652417276 975528926 /nfs/dbraw/zinc/52/89/26/975528926.db2.gz IFPSSVILMGKQFK-PBHICJAKSA-N -1 0 329.396 3.729 20 0 EHADRM CC(C)Oc1ccnc(CN(CC(=O)[O-])Cc2ccc(Cl)cc2)c1 ZINC000652458464 975540435 /nfs/dbraw/zinc/54/04/35/975540435.db2.gz IAIJKWJUMFXORW-UHFFFAOYSA-N -1 0 348.830 3.609 20 0 EHADRM Cc1ccccc1C1CC(N(Cc2nc(C(=O)[O-])co2)C2CC2)C1 ZINC000579723004 1014267999 /nfs/dbraw/zinc/26/79/99/1014267999.db2.gz VFGSWFQNNWITNS-UHFFFAOYSA-N -1 0 326.396 3.592 20 0 EHADRM C[C@H]1CCN(Cc2csc(-c3ccc(F)cc3)n2)[C@@H](C(=O)[O-])C1 ZINC000652502906 975565802 /nfs/dbraw/zinc/56/58/02/975565802.db2.gz SNPZIRNTKUKNFI-XHDPSFHLSA-N -1 0 334.416 3.634 20 0 EHADRM CC1(C)CN(C(=O)c2cccc(CC(=O)[O-])c2)c2cccc(Cl)c21 ZINC000653643066 975610729 /nfs/dbraw/zinc/61/07/29/975610729.db2.gz XPDLUZPLAXLGLX-UHFFFAOYSA-N -1 0 343.810 3.905 20 0 EHADRM CC[C@@H](CN(CC)C(=O)c1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC000653645021 975614503 /nfs/dbraw/zinc/61/45/03/975614503.db2.gz IMVAAFJZQMDEDX-KRWDZBQOSA-N -1 0 339.435 3.970 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cccc3c2OC(C)(C)C3)c1 ZINC000656250595 975658202 /nfs/dbraw/zinc/65/82/02/975658202.db2.gz IEFZLZGPDBWRBI-LBPRGKRZSA-N -1 0 339.391 3.841 20 0 EHADRM COc1cc(NC(=O)C[C@@H](C)CC(=O)[O-])c(C2CC2)cc1Cl ZINC000656248932 975658257 /nfs/dbraw/zinc/65/82/57/975658257.db2.gz MKQROSMVTPWWDF-SECBINFHSA-N -1 0 325.792 3.665 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000659140008 975739076 /nfs/dbraw/zinc/73/90/76/975739076.db2.gz JWVLWWBSOFNSMR-OAHLLOKOSA-N -1 0 345.370 3.663 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1C[C@H](C)C[C@H]1c1ccccc1F ZINC000659145461 975745399 /nfs/dbraw/zinc/74/53/99/975745399.db2.gz LUNIGDNAZPUQSO-BMIGLBTASA-N -1 0 331.343 3.649 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21)c1cccc2ccccc21 ZINC000659158203 975756503 /nfs/dbraw/zinc/75/65/03/975756503.db2.gz YCJVAURSJLMHDC-DQEVTTJGSA-N -1 0 337.419 3.908 20 0 EHADRM CC(C)Oc1c(NC(=O)N[C@@H]2C[C@@]2(C)C(C)C)cccc1C(=O)[O-] ZINC001591744233 975766674 /nfs/dbraw/zinc/76/66/74/975766674.db2.gz KIZDIRUJJRDVBT-KDOFPFPSSA-N -1 0 334.416 3.728 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N[C@H]1CCCC12CCCCC2 ZINC000659168283 975767079 /nfs/dbraw/zinc/76/70/79/975767079.db2.gz UUXIRUUMAVDNES-KRWDZBQOSA-N -1 0 329.440 3.937 20 0 EHADRM C[C@@H](CC(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)C1CCCCC1 ZINC000659168439 975767177 /nfs/dbraw/zinc/76/71/77/975767177.db2.gz OETPHDCWWICEIF-YUTCNCBUSA-N -1 0 349.393 3.705 20 0 EHADRM CC(C)Oc1c(NC(=O)N2CC[C@H](C)[C@@H](C)C2)cccc1C(=O)[O-] ZINC001591744773 975772831 /nfs/dbraw/zinc/77/28/31/975772831.db2.gz SVOMFQPUJOKDIB-STQMWFEESA-N -1 0 334.416 3.682 20 0 EHADRM C[C@H](C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21)c1cccs1 ZINC000659182316 975777495 /nfs/dbraw/zinc/77/74/95/975777495.db2.gz LJPVMCBYZRJRGI-SWLSCSKDSA-N -1 0 343.448 3.786 20 0 EHADRM C[C@H](CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21)c1ccccc1F ZINC000659195610 975798817 /nfs/dbraw/zinc/79/88/17/975798817.db2.gz QAGQFPCTDJQZTR-GRZALLJUSA-N -1 0 347.430 3.811 20 0 EHADRM CC(C)c1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)cc1 ZINC000659196042 975799489 /nfs/dbraw/zinc/79/94/89/975799489.db2.gz SGAUMZFECJQZBZ-OKZBNKHCSA-N -1 0 329.440 3.916 20 0 EHADRM Cc1ccc2cc(C(=O)N3CC[C@H](C(=O)[O-])[C@@H]4CCCC[C@@H]43)[nH]c2c1 ZINC000659196702 975801191 /nfs/dbraw/zinc/80/11/91/975801191.db2.gz XJPMOIKLXODLTF-MPGHIAIKSA-N -1 0 340.423 3.582 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCCc2ccccc2)[C@@H]2CCCC[C@H]12 ZINC000659197003 975802268 /nfs/dbraw/zinc/80/22/68/975802268.db2.gz ZEEBABITRLUKJP-KZNAEPCWSA-N -1 0 329.440 3.501 20 0 EHADRM O=C([O-])C[C@@H](CNC(=O)c1cc2c(ccc3ccccc23)[nH]1)C1CC1 ZINC000659207493 975817786 /nfs/dbraw/zinc/81/77/86/975817786.db2.gz BPDMHQWJLANNRI-AWEZNQCLSA-N -1 0 336.391 3.552 20 0 EHADRM O=C([O-])C[C@@H](CNC(=O)c1cc2cc(Cl)ccc2s1)C1CC1 ZINC000659208666 975818411 /nfs/dbraw/zinc/81/84/11/975818411.db2.gz JPBKLVFEYATLOU-NSHDSACASA-N -1 0 337.828 3.785 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C ZINC001591761849 975853810 /nfs/dbraw/zinc/85/38/10/975853810.db2.gz QFAWVWDUNJGTTP-UQOMUDLDSA-N -1 0 331.412 3.793 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NCC12CCC(CC1)C2 ZINC001591767955 975885845 /nfs/dbraw/zinc/88/58/45/975885845.db2.gz WGTUJKWCUAACRZ-UHFFFAOYSA-N -1 0 346.427 3.874 20 0 EHADRM CC(C)Oc1ccc(NC(=O)CC2CCSCC2)c(C(=O)[O-])c1 ZINC001591779843 975943128 /nfs/dbraw/zinc/94/31/28/975943128.db2.gz CFJJPPVIAAORSU-UHFFFAOYSA-N -1 0 337.441 3.644 20 0 EHADRM O=C([O-])CCC1CCN(Cc2c(F)cccc2OC(F)(F)F)CC1 ZINC000665343686 975959091 /nfs/dbraw/zinc/95/90/91/975959091.db2.gz QQBBBNIGMANWMG-UHFFFAOYSA-N -1 0 349.324 3.801 20 0 EHADRM CC(C)Oc1ccc(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)cc1 ZINC000666364889 975960530 /nfs/dbraw/zinc/96/05/30/975960530.db2.gz MWHQPTKNHNFKFY-ZDUSSCGKSA-N -1 0 327.380 3.914 20 0 EHADRM Cc1ccc([C@H]2CCN(C(=O)c3ccc(C(=O)[O-])s3)C2)c(C)c1 ZINC000668322209 975997762 /nfs/dbraw/zinc/99/77/62/975997762.db2.gz OZWSFTSFAIHHJV-ZDUSSCGKSA-N -1 0 329.421 3.693 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)CCc2ccc(Cl)s2)c2ccccc21 ZINC000669435787 976002857 /nfs/dbraw/zinc/00/28/57/976002857.db2.gz RIMXWZIHYBYZIH-ZDUSSCGKSA-N -1 0 349.839 3.939 20 0 EHADRM Cc1oc(C)c(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])c1C ZINC000671666860 976012104 /nfs/dbraw/zinc/01/21/04/976012104.db2.gz DBXZWPQKICUUDY-GFCCVEGCSA-N -1 0 329.396 3.568 20 0 EHADRM CC(C)Oc1ccccc1CC(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC001591801585 976018606 /nfs/dbraw/zinc/01/86/06/976018606.db2.gz QOWIZDTWLWVWOP-QGZVFWFLSA-N -1 0 347.455 3.556 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N(CC(=O)[O-])C2CCCCC2)o1 ZINC000675993273 976024848 /nfs/dbraw/zinc/02/48/48/976024848.db2.gz CTLKNYUAVUIDGC-CJNGLKHVSA-N -1 0 333.428 3.582 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2ccccc2OC2CCC2)CCCCC1 ZINC000679098197 976042128 /nfs/dbraw/zinc/04/21/28/976042128.db2.gz RUCPMMPPAPUMLT-UHFFFAOYSA-N -1 0 345.439 3.773 20 0 EHADRM CCCC[C@H](NC(=O)c1ccccc1SCc1ccco1)C(=O)[O-] ZINC000680363283 976053814 /nfs/dbraw/zinc/05/38/14/976053814.db2.gz XEIAYXUOHNIYBU-HNNXBMFYSA-N -1 0 347.436 3.945 20 0 EHADRM CCOc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2F)cc1OCC ZINC000681355473 976059509 /nfs/dbraw/zinc/05/95/09/976059509.db2.gz GNXPATOCLGDQDP-UHFFFAOYSA-N -1 0 347.342 3.574 20 0 EHADRM CC(C)[C@@H]1C[C@H]1NC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001591853622 976143666 /nfs/dbraw/zinc/14/36/66/976143666.db2.gz JKNGIJORZHXAAN-LSDHHAIUSA-N -1 0 336.457 3.561 20 0 EHADRM CC(C)[C@H](NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)C(F)(F)F ZINC001591885229 976247499 /nfs/dbraw/zinc/24/74/99/976247499.db2.gz DOTYUIGYYJAELH-JTQLQIEISA-N -1 0 338.713 3.747 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)Nc2c3cccnc3n(C)c2C(=O)[O-])CC1 ZINC001591907304 976310836 /nfs/dbraw/zinc/31/08/36/976310836.db2.gz KUCZKOFMQDWFAJ-JOCQHMNTSA-N -1 0 343.427 3.672 20 0 EHADRM O=C([O-])c1cc(NC(=O)C2CC3(CCC3)C2)ccc1Br ZINC000691948416 976392975 /nfs/dbraw/zinc/39/29/75/976392975.db2.gz JHCSWDCEJICCIW-UHFFFAOYSA-N -1 0 338.201 3.666 20 0 EHADRM CC(C)c1cc(C(=O)N(C)C(C)(C)CC(=O)[O-])c(O)c(C(C)C)c1 ZINC001591925581 976408667 /nfs/dbraw/zinc/40/86/67/976408667.db2.gz CFBGQSGVJBYPFX-UHFFFAOYSA-N -1 0 335.444 3.964 20 0 EHADRM CC(C)c1cc(=O)oc2cc(OCc3nc(C(=O)[O-])cs3)ccc21 ZINC001591925715 976409795 /nfs/dbraw/zinc/40/97/95/976409795.db2.gz HTCCZCNPNUNBJR-UHFFFAOYSA-N -1 0 345.376 3.650 20 0 EHADRM CC(C)c1cc(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)c2ccccc2n1 ZINC001591925736 976411210 /nfs/dbraw/zinc/41/12/10/976411210.db2.gz QKDURHSEDDNXGP-QGZVFWFLSA-N -1 0 342.439 3.977 20 0 EHADRM CC(C)c1cc(C(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)no1 ZINC001591926162 976415444 /nfs/dbraw/zinc/41/54/44/976415444.db2.gz YOGAHQDNTDYIBX-AWEZNQCLSA-N -1 0 336.432 3.732 20 0 EHADRM CC(C)c1ccc(-c2nc(C(=O)NCC3(C(=O)[O-])CC3)cs2)cc1 ZINC001591936278 976458150 /nfs/dbraw/zinc/45/81/50/976458150.db2.gz SIFBPIVMWZSLAK-UHFFFAOYSA-N -1 0 344.436 3.528 20 0 EHADRM CC(C)c1cc(NC[C@@H](Oc2ccccc2)C(=O)[O-])nc(C(C)C)n1 ZINC001591936184 976458637 /nfs/dbraw/zinc/45/86/37/976458637.db2.gz SEGVQTIHISAMEX-MRXNPFEDSA-N -1 0 343.427 3.668 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@H](C(=O)[O-])c2cccc3ccccc32)cn1 ZINC001591941716 976462850 /nfs/dbraw/zinc/46/28/50/976462850.db2.gz DLCBDCBYDKNQRS-IBGZPJMESA-N -1 0 348.402 3.914 20 0 EHADRM Cc1cc(-c2cc(C(=O)[O-])c(Cl)cn2)ccc1O[C@@H]1CCOC1 ZINC000579734216 1014330199 /nfs/dbraw/zinc/33/01/99/1014330199.db2.gz VBENLFSWECZMGQ-GFCCVEGCSA-N -1 0 333.771 3.576 20 0 EHADRM CC(C)c1ccc(C(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)cn1 ZINC001591947859 976495382 /nfs/dbraw/zinc/49/53/82/976495382.db2.gz ZHQVEMXZJQHNEL-UHFFFAOYSA-N -1 0 327.380 3.786 20 0 EHADRM CC(C)c1ccc([C@H]2CCCCN2C(=O)NCCCC(=O)[O-])cc1 ZINC001591948361 976499533 /nfs/dbraw/zinc/49/95/33/976499533.db2.gz GANMPEMNCHAXGI-QGZVFWFLSA-N -1 0 332.444 3.911 20 0 EHADRM CC(C)c1ccc(CCC(=O)N(C)C2(C(=O)[O-])CCCCC2)cc1 ZINC001591952951 976513980 /nfs/dbraw/zinc/51/39/80/976513980.db2.gz QMAGKYWSIZVCGA-UHFFFAOYSA-N -1 0 331.456 3.989 20 0 EHADRM CC(C)c1ccc(NC(=O)CN2CCc3ccccc32)c(C(=O)[O-])c1 ZINC001591962361 976548266 /nfs/dbraw/zinc/54/82/66/976548266.db2.gz JVKKKGZNEVDJDC-UHFFFAOYSA-N -1 0 338.407 3.509 20 0 EHADRM CC(C)c1ccc(NC(=O)[C@@H]2CCc3ccccc3O2)c(C(=O)[O-])c1 ZINC001591963280 976553160 /nfs/dbraw/zinc/55/31/60/976553160.db2.gz XVKFSPJTOGVJKV-SFHVURJKSA-N -1 0 339.391 3.841 20 0 EHADRM CC(C)c1ccc(NC(=O)N2CC(CC(F)(F)F)C2)c(C(=O)[O-])c1 ZINC001591965804 976559489 /nfs/dbraw/zinc/55/94/89/976559489.db2.gz QZAHDAYDWNHWDE-UHFFFAOYSA-N -1 0 344.333 3.924 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)NC[C@H](CC(=O)[O-])C1CC1)CC2 ZINC001591974301 976587435 /nfs/dbraw/zinc/58/74/35/976587435.db2.gz RWOMELUKDXICQW-FUHWJXTLSA-N -1 0 344.455 3.597 20 0 EHADRM CC(C)c1ccccc1OCC(=O)Nc1c(F)ccc(F)c1C(=O)[O-] ZINC001591999172 976649148 /nfs/dbraw/zinc/64/91/48/976649148.db2.gz ZYDIVMUOVMWWTJ-UHFFFAOYSA-N -1 0 349.333 3.804 20 0 EHADRM CC(C)c1nc(NC(=O)c2cccc3[nH]ccc32)sc1C(=O)[O-] ZINC001592028985 976732945 /nfs/dbraw/zinc/73/29/45/976732945.db2.gz ZPGIWKKHJXFHEN-UHFFFAOYSA-N -1 0 329.381 3.698 20 0 EHADRM CC(C)c1nc2cc(NC(=O)c3ccsc3CC(=O)[O-])ccc2o1 ZINC001592030500 976736701 /nfs/dbraw/zinc/73/67/01/976736701.db2.gz QPBARUBSISRKQG-UHFFFAOYSA-N -1 0 344.392 3.892 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)c3ccc(C(=O)[O-])n3C)cc2s1 ZINC001592031338 976740374 /nfs/dbraw/zinc/74/03/74/976740374.db2.gz BTHZWIGYYUNMAU-UHFFFAOYSA-N -1 0 343.408 3.709 20 0 EHADRM CC(C)c1scnc1NC(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001592117622 976921664 /nfs/dbraw/zinc/92/16/64/976921664.db2.gz UQEVIVRLPLSAND-GFCCVEGCSA-N -1 0 339.461 3.669 20 0 EHADRM CC(C)n1nc(-c2ccco2)cc1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001592150094 977020610 /nfs/dbraw/zinc/02/06/10/977020610.db2.gz SVZYFZWCQYEKIZ-CHWSQXEVSA-N -1 0 345.399 3.554 20 0 EHADRM C[C@H](/C=C/C(=O)[O-])NC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl ZINC001592191831 977138048 /nfs/dbraw/zinc/13/80/48/977138048.db2.gz LAQJKPGAGLLCIY-NHLBFJKESA-N -1 0 347.720 3.518 20 0 EHADRM C[C@@H](/C=C/C(=O)[O-])NC(=O)C1(c2cccc(Cl)c2)CCCCC1 ZINC001592195218 977176548 /nfs/dbraw/zinc/17/65/48/977176548.db2.gz SFACOXHUBUTHLC-XEHSLEBBSA-N -1 0 335.831 3.687 20 0 EHADRM C[C@@H](/C=C\C(=O)[O-])NC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC001592203154 977225479 /nfs/dbraw/zinc/22/54/79/977225479.db2.gz YDPQAVFOWFOPTR-NYHXXUGCSA-N -1 0 346.386 3.661 20 0 EHADRM C[C@H](CC(=O)N1C[C@H](C(=O)[O-])Cc2ccccc21)c1cccc(F)c1 ZINC001592227873 977427124 /nfs/dbraw/zinc/42/71/24/977427124.db2.gz UDKUQPCBZNBRRG-CZUORRHYSA-N -1 0 341.382 3.609 20 0 EHADRM C[C@@H](CC(=O)N1CCOc2c(cccc2C(=O)[O-])C1)CC(C)(C)C ZINC001592236401 977445498 /nfs/dbraw/zinc/44/54/98/977445498.db2.gz OTPYRQHGJNKVCQ-ZDUSSCGKSA-N -1 0 333.428 3.568 20 0 EHADRM C[C@@H](CC(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21)c1ccco1 ZINC001592239556 977449603 /nfs/dbraw/zinc/44/96/03/977449603.db2.gz BBAQMDYCWLXSQY-DJJJIMSYSA-N -1 0 337.375 3.869 20 0 EHADRM C[C@@H](CC(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1)C1CC1 ZINC001592261394 977502224 /nfs/dbraw/zinc/50/22/24/977502224.db2.gz AYHKFBRQEPWLHN-ZETCQYMHSA-N -1 0 344.180 3.661 20 0 EHADRM C[C@H](CC(=O)Nc1cccc(Cl)c1)Nc1cccc(C(=O)[O-])c1 ZINC001592272989 977542868 /nfs/dbraw/zinc/54/28/68/977542868.db2.gz APLQHHDXMHOORW-LLVKDONJSA-N -1 0 332.787 3.867 20 0 EHADRM Cc1oc2ccc(NC(=O)N3C[C@@H]4CCC[C@H]4[C@H]3C(=O)[O-])cc2c1C ZINC000654798512 1014419888 /nfs/dbraw/zinc/41/98/88/1014419888.db2.gz XTWYUWLWVCUSKL-QEORTHHSSA-N -1 0 342.395 3.767 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N1CCC(c2ccc(C(C)(C)C)cc2)CC1 ZINC001592342349 977798113 /nfs/dbraw/zinc/79/81/13/977798113.db2.gz ZZNYXFZUCNDAHF-CQSZACIVSA-N -1 0 331.456 3.801 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCCc2cc(Cl)cc(Cl)c21 ZINC001592374943 977905491 /nfs/dbraw/zinc/90/54/91/977905491.db2.gz GVNIJQLMOQRCCB-SECBINFHSA-N -1 0 330.211 3.774 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)OCc1cc(-c2ccccc2Cl)on1 ZINC001592400160 977961916 /nfs/dbraw/zinc/96/19/16/977961916.db2.gz ASDHCXLRJZVZBG-JTQLQIEISA-N -1 0 337.759 3.539 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Oc1ccc(-c2cccnc2)cc1Cl ZINC001592402749 977970561 /nfs/dbraw/zinc/97/05/61/977970561.db2.gz PYPLXCNHAARXJD-LLVKDONJSA-N -1 0 333.771 3.808 20 0 EHADRM C[C@@H](CC(=O)[O-])SC[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001592422677 978037800 /nfs/dbraw/zinc/03/78/00/978037800.db2.gz VQQSAGZGRUEYIO-QWHCGFSZSA-N -1 0 331.478 3.620 20 0 EHADRM C[C@@H](CC(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccc(N)cc1 ZINC001592424674 978046783 /nfs/dbraw/zinc/04/67/83/978046783.db2.gz VSLDLUIGOPXSBH-APPDUMDISA-N -1 0 347.798 3.785 20 0 EHADRM C[C@H](CC(C)(C)C)C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001592439648 978092389 /nfs/dbraw/zinc/09/23/89/978092389.db2.gz NCJVMCKXQFAOLD-NOZJJQNGSA-N -1 0 329.799 3.793 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)NCC(C)(C)CC(=O)[O-] ZINC001592451682 978138385 /nfs/dbraw/zinc/13/83/85/978138385.db2.gz FXUUBPJBRPGBGS-CQSZACIVSA-N -1 0 334.460 3.543 20 0 EHADRM C[C@H](CC1CCCC1)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O ZINC001592465957 978210449 /nfs/dbraw/zinc/21/04/49/978210449.db2.gz QAGXLBCPFKFIDA-SECBINFHSA-N -1 0 325.792 3.899 20 0 EHADRM C[C@@H](CCC(C)(C)C)NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC001592477403 978242485 /nfs/dbraw/zinc/24/24/85/978242485.db2.gz HZCICXIZHMSXSN-JTQLQIEISA-N -1 0 347.864 3.531 20 0 EHADRM C[C@H](CCC(C)(C)C)C(=O)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001592478191 978249571 /nfs/dbraw/zinc/24/95/71/978249571.db2.gz QHLGIAIASVBPNR-CYBMUJFWSA-N -1 0 333.428 3.568 20 0 EHADRM C[C@@H](CCC(C)(C)C)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001592478920 978255676 /nfs/dbraw/zinc/25/56/76/978255676.db2.gz XTXPZJSDBLAZTJ-JTQLQIEISA-N -1 0 326.462 3.906 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)Nc2cc(C)[nH]c2C(=O)[O-])c1 ZINC000736343603 978321635 /nfs/dbraw/zinc/32/16/35/978321635.db2.gz KPVTWOHPAHWYDG-UHFFFAOYSA-N -1 0 328.368 3.619 20 0 EHADRM CC[C@H](Cc1ccccc1)NC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000736906640 978365448 /nfs/dbraw/zinc/36/54/48/978365448.db2.gz MRRHKHVZKCLPRK-CQSZACIVSA-N -1 0 327.384 3.919 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)(C)C ZINC000736927786 978367308 /nfs/dbraw/zinc/36/73/08/978367308.db2.gz FSYZSCOMOYZEOR-ZBFHGGJFSA-N -1 0 335.444 3.583 20 0 EHADRM C[C@H](CCNC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)CC(C)(C)C ZINC001592522220 978380344 /nfs/dbraw/zinc/38/03/44/978380344.db2.gz XYMPIJRYNPJWMK-LLVKDONJSA-N -1 0 346.431 3.845 20 0 EHADRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1nc(C2CC2)cs1 ZINC000547629666 1014486320 /nfs/dbraw/zinc/48/63/20/1014486320.db2.gz DNRJKGVJJJJDQM-UHFFFAOYSA-N -1 0 345.449 3.678 20 0 EHADRM C[C@@H](CCc1ccc2c(c1)OCO2)Nc1ccc(CCC(=O)[O-])cc1 ZINC001592540152 978422023 /nfs/dbraw/zinc/42/20/23/978422023.db2.gz GSVZBCDXHPKURV-AWEZNQCLSA-N -1 0 341.407 3.866 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)Nc1c(F)cccc1C(=O)[O-] ZINC001592545796 978430378 /nfs/dbraw/zinc/43/03/78/978430378.db2.gz DAAZHIXXGVWAEF-NSHDSACASA-N -1 0 333.334 3.870 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1cc(C)n([C@H](C)C2CC2)n1 ZINC000547631635 1014495722 /nfs/dbraw/zinc/49/57/22/1014495722.db2.gz AGIGWDFVLWQCFV-CYBMUJFWSA-N -1 0 333.457 3.526 20 0 EHADRM Cc1ccc(OC(=O)c2ccc(NC(=O)C(C)C)cc2)c(C(=O)[O-])c1 ZINC000738639318 978579009 /nfs/dbraw/zinc/57/90/09/978579009.db2.gz QFNNLRCVKFBKOL-UHFFFAOYSA-N -1 0 341.363 3.507 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N2CCC[C@H]2c2ccco2)cc1 ZINC000739760486 978653424 /nfs/dbraw/zinc/65/34/24/978653424.db2.gz PUANWUDSETYQKD-HNNXBMFYSA-N -1 0 328.368 3.666 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000740066246 978665576 /nfs/dbraw/zinc/66/55/76/978665576.db2.gz OYHCCGDUOIMYFS-RYUDHWBXSA-N -1 0 333.746 3.920 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1oc2ccccc2c1CSC ZINC000746691339 978685582 /nfs/dbraw/zinc/68/55/82/978685582.db2.gz YBLXLPHRSSFHRH-NSHDSACASA-N -1 0 335.425 3.621 20 0 EHADRM Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)CCCC(=O)[O-] ZINC000753975405 978695439 /nfs/dbraw/zinc/69/54/39/978695439.db2.gz ADFFFKPMIDXPPX-UHFFFAOYSA-N -1 0 345.370 3.907 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CCCc1ccc2ccccc2c1 ZINC000761649155 978713663 /nfs/dbraw/zinc/71/36/63/978713663.db2.gz JJHHFXVVFMLOJH-FQEVSTJZSA-N -1 0 327.424 3.922 20 0 EHADRM CC(C)(C(=O)N1CCc2cc(C(=O)[O-])ccc21)c1ccc(Cl)cc1 ZINC000766846084 978727153 /nfs/dbraw/zinc/72/71/53/978727153.db2.gz XWUQWVXUPLJGHB-UHFFFAOYSA-N -1 0 343.810 3.905 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)/C=C\c1ccccc1 ZINC000766941815 978730112 /nfs/dbraw/zinc/73/01/12/978730112.db2.gz MFYHJOFEMVZBIT-FLIBITNWSA-N -1 0 325.364 3.824 20 0 EHADRM CCN(CC(=O)[O-])C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1 ZINC000766983175 978730624 /nfs/dbraw/zinc/73/06/24/978730624.db2.gz ADAFEADDDCZEOM-NTMALXAHSA-N -1 0 333.384 3.501 20 0 EHADRM Cc1ccc(-c2nc(C(=O)N(CC(=O)[O-])C3CCCCC3)cs2)o1 ZINC000767025522 978731653 /nfs/dbraw/zinc/73/16/53/978731653.db2.gz OUQKJNRSNOUFJA-UHFFFAOYSA-N -1 0 348.424 3.571 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000774040066 978745310 /nfs/dbraw/zinc/74/53/10/978745310.db2.gz GGASNDJZTXTRSW-JTQLQIEISA-N -1 0 335.762 3.538 20 0 EHADRM COc1ccc(C(C)(C)C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000776641190 978764551 /nfs/dbraw/zinc/76/45/51/978764551.db2.gz RKWLZSRVPFFYJE-UHFFFAOYSA-N -1 0 347.798 3.963 20 0 EHADRM COc1cc(C(=O)[O-])cc(NCc2cncc3ccccc32)c1OC ZINC000789902828 978798771 /nfs/dbraw/zinc/79/87/71/978798771.db2.gz RBMJNPJPTPHJAL-UHFFFAOYSA-N -1 0 338.363 3.562 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)NC2(c3ccc(F)cc3)CCC2)c1 ZINC000811817142 978860857 /nfs/dbraw/zinc/86/08/57/978860857.db2.gz IJZCUTACQVTMIX-UHFFFAOYSA-N -1 0 347.773 3.987 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N[C@H]2CCCOc3ccccc32)c1 ZINC000811818532 978862274 /nfs/dbraw/zinc/86/22/74/978862274.db2.gz PVYXBEBJVNOPQG-HNNXBMFYSA-N -1 0 345.782 3.682 20 0 EHADRM C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000827942199 978967577 /nfs/dbraw/zinc/96/75/77/978967577.db2.gz RDUNRSBEEJOAED-BBATYDOGSA-N -1 0 347.798 3.531 20 0 EHADRM C/C=C(/C=C/C(=O)N[C@H](CC(=O)[O-])c1ccc(SC)cc1)CC ZINC000828543135 978985611 /nfs/dbraw/zinc/98/56/11/978985611.db2.gz QKQYKLPNGKLUJA-VJGVSFNGSA-N -1 0 333.453 3.953 20 0 EHADRM Cc1ccc(CC[C@@H](C)NC(=O)Nc2cc(C(=O)[O-])ccc2F)o1 ZINC000832929759 979056940 /nfs/dbraw/zinc/05/69/40/979056940.db2.gz DMLGPJLRVHCIEH-SNVBAGLBSA-N -1 0 334.347 3.568 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)O[C@H](C)c1nc(C(=O)[O-])co1 ZINC001595016060 979068380 /nfs/dbraw/zinc/06/83/80/979068380.db2.gz QMXCKBXFFSLHKX-NWDGAFQWSA-N -1 0 347.367 3.570 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC001595016264 979069558 /nfs/dbraw/zinc/06/95/58/979069558.db2.gz SIQIHQIEWLHBLJ-CQSZACIVSA-N -1 0 342.391 3.812 20 0 EHADRM CC[C@H](C)c1nnc(N2CCC[C@H](C(=O)[O-])C2)n1C[C@H]1CCC[C@H]1C ZINC001595018416 979090471 /nfs/dbraw/zinc/09/04/71/979090471.db2.gz RXCJZACLMXXFHE-JJXSEGSLSA-N -1 0 348.491 3.529 20 0 EHADRM CC[C@H](C)c1nnc(N2CCC[C@H](C(=O)[O-])C2)n1C[C@@H]1CCC[C@H]1C ZINC001595018415 979090532 /nfs/dbraw/zinc/09/05/32/979090532.db2.gz RXCJZACLMXXFHE-FZKCQIBNSA-N -1 0 348.491 3.529 20 0 EHADRM CC[C@H](C)n1nc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cc1C ZINC001595022565 979107940 /nfs/dbraw/zinc/10/79/40/979107940.db2.gz MUFGDOXTUWDBPA-AAEUAGOBSA-N -1 0 329.400 3.603 20 0 EHADRM CC[C@H](C)n1nc(NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1C ZINC001595023530 979115747 /nfs/dbraw/zinc/11/57/47/979115747.db2.gz INZOLROCAGSQJT-NSHDSACASA-N -1 0 330.388 3.813 20 0 EHADRM CC[C@@H](C)n1ncc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c1C ZINC001595023638 979116919 /nfs/dbraw/zinc/11/69/19/979116919.db2.gz JSCUNJBJRMZRHC-XFBWCDHKSA-N -1 0 341.411 3.603 20 0 EHADRM CC[C@@H](CC(=O)N1c2c(cccc2C(=O)[O-])NC(=O)[C@@H]1C)C(C)(C)C ZINC001595033257 979174100 /nfs/dbraw/zinc/17/41/00/979174100.db2.gz GVVJYIYXQFAVFK-RYUDHWBXSA-N -1 0 346.427 3.521 20 0 EHADRM CC[C@H](CC(=O)NC[C@H](Cc1cccc(C)c1)C(=O)[O-])C(C)(C)C ZINC001595033243 979174337 /nfs/dbraw/zinc/17/43/37/979174337.db2.gz GJDUHXABOOGAKG-DLBZAZTESA-N -1 0 333.472 3.817 20 0 EHADRM CC[C@H](CC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)c1ccccc1 ZINC001595033460 979175121 /nfs/dbraw/zinc/17/51/21/979175121.db2.gz KILFHBIJHZGBAH-WRWLIDTKSA-N -1 0 329.440 3.674 20 0 EHADRM CC[C@H](CC(=O)N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1)C(C)(C)C ZINC001595033604 979176412 /nfs/dbraw/zinc/17/64/12/979176412.db2.gz NFVZMJUDKXBMFJ-QJPTWQEYSA-N -1 0 337.382 3.560 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)CSc1cc(C(F)(F)F)ccn1 ZINC001595045206 979252140 /nfs/dbraw/zinc/25/21/40/979252140.db2.gz HMXVYHHOFFLOOQ-UHFFFAOYSA-N -1 0 335.347 3.653 20 0 EHADRM CCC(CC)(CC(=O)[O-])C(=O)OCc1csc(-c2ccccn2)n1 ZINC001595048694 979267193 /nfs/dbraw/zinc/26/71/93/979267193.db2.gz IDIJUKBKXCNHND-UHFFFAOYSA-N -1 0 348.424 3.529 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC001595048941 979270683 /nfs/dbraw/zinc/27/06/83/979270683.db2.gz VDVDEOXKIKLLFC-LLVKDONJSA-N -1 0 345.361 3.959 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1nc2ccccc2cc1C1CC1 ZINC001595053892 979291263 /nfs/dbraw/zinc/29/12/63/979291263.db2.gz JIAUKCBIDZAWOX-UHFFFAOYSA-N -1 0 340.423 3.876 20 0 EHADRM CCc1nc(CN[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)cs1 ZINC000841796679 979313044 /nfs/dbraw/zinc/31/30/44/979313044.db2.gz SUZKEHNBZDFMBZ-CYBMUJFWSA-N -1 0 344.358 3.640 20 0 EHADRM CCC(CC)(NC(=O)[C@H](c1ccncc1)C1CCCCC1)C(=O)[O-] ZINC001595092710 979385985 /nfs/dbraw/zinc/38/59/85/979385985.db2.gz DSRYILRKWQTYSM-INIZCTEOSA-N -1 0 332.444 3.505 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)/C=C\C2CCCCCC2)c1OC ZINC000846114444 979404715 /nfs/dbraw/zinc/40/47/15/979404715.db2.gz LHDPKVISSLCLBN-KTKRTIGZSA-N -1 0 347.411 3.867 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)/C=C\C2CCCC2)cc1 ZINC000846116360 979405923 /nfs/dbraw/zinc/40/59/23/979405923.db2.gz GIBUTBKSUOAEBE-BDJZEXMMSA-N -1 0 333.453 3.787 20 0 EHADRM CCC(CC)N(CCOC)C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001595114431 979465427 /nfs/dbraw/zinc/46/54/27/979465427.db2.gz MHPIYAHPNPCFBW-UHFFFAOYSA-N -1 0 347.415 3.535 20 0 EHADRM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851592734 979501626 /nfs/dbraw/zinc/50/16/26/979501626.db2.gz AYYZABSWRWSMHJ-HCYCVZQXSA-N -1 0 339.391 3.818 20 0 EHADRM CCC(CC)n1nc(C(=O)N(CC2CC2)[C@](C)(CC)C(=O)[O-])cc1C ZINC001595124320 979503124 /nfs/dbraw/zinc/50/31/24/979503124.db2.gz ANWJAHIUXBFWGP-LJQANCHMSA-N -1 0 349.475 3.658 20 0 EHADRM CCCC[C@@](C)(F)C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000851600663 979519913 /nfs/dbraw/zinc/51/99/13/979519913.db2.gz MPVIILFZAURBNP-QGZVFWFLSA-N -1 0 325.380 3.787 20 0 EHADRM COc1ccc(NC(=O)C[C@]23CCCC[C@H]2C3(F)F)c(C(=O)[O-])c1 ZINC000851604212 979527963 /nfs/dbraw/zinc/52/79/63/979527963.db2.gz PRSHWLVZRIEOET-CZUORRHYSA-N -1 0 339.338 3.548 20 0 EHADRM CC[C@H](CCc1ccccc1)NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001595128888 979531019 /nfs/dbraw/zinc/53/10/19/979531019.db2.gz CACLGSXRVOQDAY-GOSISDBHSA-N -1 0 340.423 3.595 20 0 EHADRM C[C@H](CSCc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001592825281 979541682 /nfs/dbraw/zinc/54/16/82/979541682.db2.gz DFKXIWBQJCYJQP-CYBMUJFWSA-N -1 0 329.421 3.893 20 0 EHADRM C[C@@H](CSCc1ccccc1)C(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC001592825880 979547010 /nfs/dbraw/zinc/54/70/10/979547010.db2.gz MNNSYWSYXMWJMK-WMLDXEAASA-N -1 0 349.496 3.706 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001592829803 979551102 /nfs/dbraw/zinc/55/11/02/979551102.db2.gz CIYMPPTWVPBHOM-LBPRGKRZSA-N -1 0 347.411 3.569 20 0 EHADRM C[C@](Cc1ccccc1)(NC(=O)c1ccc(/C=C/C(=O)[O-])o1)C1CC1 ZINC000851621789 979553007 /nfs/dbraw/zinc/55/30/07/979553007.db2.gz CUJPYUGJAFEHBC-ZAHGZRRWSA-N -1 0 339.391 3.519 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC001592830488 979555963 /nfs/dbraw/zinc/55/59/63/979555963.db2.gz WTJVZRGEAOURAX-RHSMWYFYSA-N -1 0 349.496 3.955 20 0 EHADRM O=C([O-])[C@H]1CCN(C[C@H](O)c2ccc(F)cc2Cl)c2ccccc21 ZINC000851706070 979571176 /nfs/dbraw/zinc/57/11/76/979571176.db2.gz BPLXIHYHZDFXCR-GUYCJALGSA-N -1 0 349.789 3.591 20 0 EHADRM CC[C@](CNC(=O)[C@@H]1CCC=CCCC1)(C(=O)[O-])c1ccccc1 ZINC001595139101 979587820 /nfs/dbraw/zinc/58/78/20/979587820.db2.gz AOENIFITZLDBOH-OXQOHEQNSA-N -1 0 329.440 3.672 20 0 EHADRM C[C@](Cc1ccc(Cl)cc1)(NC(=O)[C@@H]1CCC=CCCC1)C(=O)[O-] ZINC001592839512 979597881 /nfs/dbraw/zinc/59/78/81/979597881.db2.gz WJVNIQJMKQSUSO-DNVCBOLYSA-N -1 0 349.858 3.979 20 0 EHADRM C[C@](Cc1ccc(Cl)cc1)(NC(=O)[C@H]1CCC=CCCC1)C(=O)[O-] ZINC001592839514 979597959 /nfs/dbraw/zinc/59/79/59/979597959.db2.gz WJVNIQJMKQSUSO-HNAYVOBHSA-N -1 0 349.858 3.979 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)[C@H]2CCCC(F)(F)C2)cc1)C(=O)[O-] ZINC001592858642 979673895 /nfs/dbraw/zinc/67/38/95/979673895.db2.gz RYUVIAWJIPLVJO-YPMHNXCESA-N -1 0 325.355 3.714 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)[C@H](C)OC2CCCCC2)cc1)C(=O)[O-] ZINC001592859032 979679488 /nfs/dbraw/zinc/67/94/88/979679488.db2.gz XRLDAVWNDTWTHQ-KGLIPLIRSA-N -1 0 333.428 3.626 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)Cc1coc2c1ccc(Cl)c2Cl ZINC000864100090 979683981 /nfs/dbraw/zinc/68/39/81/979683981.db2.gz QRBDEVCMDUHUDM-UHFFFAOYSA-N -1 0 344.194 3.605 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N2CCC[C@@H](CCF)C2)cc1)C(=O)[O-] ZINC001592860607 979692383 /nfs/dbraw/zinc/69/23/83/979692383.db2.gz KCMIKQSTYPDYJV-ZFWWWQNUSA-N -1 0 336.407 3.553 20 0 EHADRM Cc1ccc(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)cc1C(=O)[O-] ZINC000864105658 979693174 /nfs/dbraw/zinc/69/31/74/979693174.db2.gz LCWDHDQQVRIUCV-IBGZPJMESA-N -1 0 335.403 3.985 20 0 EHADRM Cc1nc2c(s1)[C@@H](N(C)C(=O)c1ccc(C)c(C(=O)[O-])c1)CCC2 ZINC000864110788 979701731 /nfs/dbraw/zinc/70/17/31/979701731.db2.gz YPKWCSIDNVXSJA-HNNXBMFYSA-N -1 0 344.436 3.608 20 0 EHADRM Cc1cc2c(CC(=O)N(CCC(=O)[O-])CC(C)C)csc2s1 ZINC000864113155 979705343 /nfs/dbraw/zinc/70/53/43/979705343.db2.gz PJBAVAFMUJHFGT-UHFFFAOYSA-N -1 0 339.482 3.773 20 0 EHADRM O=C([O-])CCCCCNC(=O)/C=C/c1csc(C(F)(F)F)c1 ZINC000864120689 979717059 /nfs/dbraw/zinc/71/70/59/979717059.db2.gz ZWZCUROIVZXHQG-AATRIKPKSA-N -1 0 335.347 3.541 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccsc1)c1cccc(Cl)c1 ZINC000864126009 979725939 /nfs/dbraw/zinc/72/59/39/979725939.db2.gz CQVXWEIIBYSMDA-ZNMIVQPWSA-N -1 0 349.839 3.837 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2ccc(C(F)(F)F)[nH]2)cc1)C(=O)[O-] ZINC001592872311 979728558 /nfs/dbraw/zinc/72/85/58/979728558.db2.gz HPCDMYWESBMGDT-SECBINFHSA-N -1 0 340.301 3.549 20 0 EHADRM CC(C)(CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccc(F)cc1 ZINC000864132023 979733539 /nfs/dbraw/zinc/73/35/39/979733539.db2.gz ICXNSJMVCGTVDZ-AWEZNQCLSA-N -1 0 335.419 3.597 20 0 EHADRM Cc1ccccc1CO[C@@H](C)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000864134753 979736651 /nfs/dbraw/zinc/73/66/51/979736651.db2.gz CXXTVBUYDACAPQ-HNNXBMFYSA-N -1 0 341.407 3.556 20 0 EHADRM Cc1ccccc1C[C@@H](C)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000864135010 979737573 /nfs/dbraw/zinc/73/75/73/979737573.db2.gz GPRMINBSSHJKAP-OAHLLOKOSA-N -1 0 325.408 3.830 20 0 EHADRM COc1cc(C)cc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1C ZINC000864135410 979737641 /nfs/dbraw/zinc/73/76/41/979737641.db2.gz LVLMULGESHUUAC-CYBMUJFWSA-N -1 0 341.407 3.828 20 0 EHADRM CCC(CC)(NC(=O)/C=C\c1ccsc1C(F)(F)F)C(=O)[O-] ZINC000864140241 979744422 /nfs/dbraw/zinc/74/44/22/979744422.db2.gz VHKMTFRCWYYAFU-WAYWQWQTSA-N -1 0 335.347 3.540 20 0 EHADRM CCN(C(=O)/C=C\c1ccc(C(=O)[O-])o1)[C@@H](C)Cc1ccsc1 ZINC000864142307 979747291 /nfs/dbraw/zinc/74/72/91/979747291.db2.gz GAAFRSBGSIBBGJ-HWPRWLFBSA-N -1 0 333.409 3.532 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)C2([C@@H]3CCCCO3)CCC2)cc1 ZINC000864149355 979758158 /nfs/dbraw/zinc/75/81/58/979758158.db2.gz PYCFDJNTJSPSEA-CJNGLKHVSA-N -1 0 331.412 3.553 20 0 EHADRM C[C@H](Cc1cccc(F)c1)N(C)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001592884855 979766421 /nfs/dbraw/zinc/76/64/21/979766421.db2.gz DATLGLVZSWXACM-CYBMUJFWSA-N -1 0 344.386 3.548 20 0 EHADRM CC[C@@](CNc1ncnc2sc(C)cc21)(C(=O)[O-])c1ccccc1 ZINC001595176804 979771068 /nfs/dbraw/zinc/77/10/68/979771068.db2.gz ZUNYVODWNMLQMS-SFHVURJKSA-N -1 0 341.436 3.844 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC001592885950 979772268 /nfs/dbraw/zinc/77/22/68/979772268.db2.gz UWTXCDZCNBSOLK-JTQLQIEISA-N -1 0 336.746 3.962 20 0 EHADRM Cc1cc2[nH]c(C(=O)N3CC[C@H](C(=O)[O-])[C@H]4CCC[C@H]43)cc2c(C)c1 ZINC000864174154 979810416 /nfs/dbraw/zinc/81/04/16/979810416.db2.gz DJJXRQYWCLFCIA-QWQRMKEZSA-N -1 0 340.423 3.500 20 0 EHADRM O=C([O-])c1ccccc1-c1ccccc1C(=O)N1CCC(F)(F)CC1 ZINC000864174865 979812365 /nfs/dbraw/zinc/81/23/65/979812365.db2.gz VPWLHCZMWVNCDP-UHFFFAOYSA-N -1 0 345.345 3.923 20 0 EHADRM Cc1ccc(CC[C@H](C)NC(=O)c2cc(C(=O)[O-])ccc2Cl)o1 ZINC000864176934 979821187 /nfs/dbraw/zinc/82/11/87/979821187.db2.gz ABBOUUZTTQIEBW-JTQLQIEISA-N -1 0 335.787 3.691 20 0 EHADRM CCC[C@H](C(=O)N[C@](C)(CC(=O)[O-])C1CC1)c1cccc(Cl)c1 ZINC000864201142 979878001 /nfs/dbraw/zinc/87/80/01/979878001.db2.gz NUCUHRPOPFGFOK-MAUKXSAKSA-N -1 0 337.847 3.983 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)Cc1cc(Cl)cc2ccccc21)C1CC1 ZINC000864201263 979879053 /nfs/dbraw/zinc/87/90/53/979879053.db2.gz QNEAMNMBGLDFCX-IBGZPJMESA-N -1 0 345.826 3.795 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)Cc1cc(Cl)cc2ccccc21)C1CC1 ZINC000864201264 979879511 /nfs/dbraw/zinc/87/95/11/979879511.db2.gz QNEAMNMBGLDFCX-LJQANCHMSA-N -1 0 345.826 3.795 20 0 EHADRM C[C@@H](Cn1ccc2ccccc21)C(=O)OCc1ccc(C(=O)[O-])s1 ZINC001592917886 979898068 /nfs/dbraw/zinc/89/80/68/979898068.db2.gz CGCKUDMBKKGZCI-LBPRGKRZSA-N -1 0 343.404 3.781 20 0 EHADRM C[C@@H](Cn1ccc2ccccc21)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC001592918923 979911357 /nfs/dbraw/zinc/91/13/57/979911357.db2.gz SOWDCVSFVAIKIM-STQMWFEESA-N -1 0 341.363 3.873 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)[C@H]2CCCC[C@@H]2C2CC2)c2ccccc21 ZINC000864226809 979913816 /nfs/dbraw/zinc/91/38/16/979913816.db2.gz RALOXFHFJLTBHS-INMHGKMJSA-N -1 0 327.424 3.808 20 0 EHADRM CC(C)(CC(F)(F)F)C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000864227014 979914655 /nfs/dbraw/zinc/91/46/55/979914655.db2.gz UBRYIIGQMNHIMB-JTQLQIEISA-N -1 0 329.318 3.570 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001595210916 979986001 /nfs/dbraw/zinc/98/60/01/979986001.db2.gz LWCAUCOTQIPLNL-OALUTQOASA-N -1 0 345.483 3.961 20 0 EHADRM CCC(F)(F)C(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC001595216406 980013672 /nfs/dbraw/zinc/01/36/72/980013672.db2.gz FUIQPNRNZMJZCH-UHFFFAOYSA-N -1 0 349.333 3.948 20 0 EHADRM CC(F)(F)c1cc(F)ccc1NC(=O)N[C@@](C)(CC(=O)[O-])C1CC1 ZINC001592943416 980014651 /nfs/dbraw/zinc/01/46/51/980014651.db2.gz JRVHYIGMDNLCEP-HNNXBMFYSA-N -1 0 344.333 3.702 20 0 EHADRM CC[C@H](Cc1ccccc1C(F)(F)F)Nc1cncc(C(=O)[O-])n1 ZINC001595218710 980035086 /nfs/dbraw/zinc/03/50/86/980035086.db2.gz KROLXOSAQCACJX-LLVKDONJSA-N -1 0 339.317 3.627 20 0 EHADRM CC(C)OC1(C(=O)NCc2c3ccccc3sc2C(=O)[O-])CCC1 ZINC000872713407 980093099 /nfs/dbraw/zinc/09/30/99/980093099.db2.gz DBSNYAWBCNMSLL-UHFFFAOYSA-N -1 0 347.436 3.563 20 0 EHADRM COc1ccc2c(c1)CC[C@@H]2C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000872731262 980123405 /nfs/dbraw/zinc/12/34/05/980123405.db2.gz ZNIQBMBKBHXREY-XIKOKIGWSA-N -1 0 339.391 3.552 20 0 EHADRM CC[C@@H](NC(=O)Nc1c(C)sc(C)c1C(=O)[O-])c1ccncc1 ZINC001595252601 980221359 /nfs/dbraw/zinc/22/13/59/980221359.db2.gz MHVQXWIQOZEZDW-GFCCVEGCSA-N -1 0 333.413 3.731 20 0 EHADRM C[C@H](NC(=O)/C=C\C1CCCCC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593008150 980229545 /nfs/dbraw/zinc/22/95/45/980229545.db2.gz BLTYMABNUADFHW-RSRQLZNBSA-N -1 0 329.440 3.571 20 0 EHADRM O=C([O-])CC[C@H](NCc1csc(C(F)(F)F)n1)c1ccccc1 ZINC000900037058 980238829 /nfs/dbraw/zinc/23/88/29/980238829.db2.gz HALXXWTTXVUFMS-LBPRGKRZSA-N -1 0 344.358 3.858 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c2ccccc12)[C@@H]1CCCO1 ZINC001595256873 980240789 /nfs/dbraw/zinc/24/07/89/980240789.db2.gz JQPQRPOSNXTKJE-WBVHZDCISA-N -1 0 342.395 3.617 20 0 EHADRM O=C([O-])c1ncc(-c2ccc([C@H]3CC(F)(F)C3(F)F)cc2)cn1 ZINC000901102775 980259792 /nfs/dbraw/zinc/25/97/92/980259792.db2.gz XPQXPZOPEJFHFL-LLVKDONJSA-N -1 0 326.249 3.600 20 0 EHADRM CC[C@@H](NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc21)C(=O)[O-] ZINC001595263305 980266530 /nfs/dbraw/zinc/26/65/30/980266530.db2.gz KBDPBRZTZIVKLS-QGZVFWFLSA-N -1 0 348.402 3.803 20 0 EHADRM CC[C@H](NC(=O)c1cc(C)cc(C(=O)[O-])c1)c1cc(F)ccc1F ZINC001595265322 980274740 /nfs/dbraw/zinc/27/47/40/980274740.db2.gz QDMHJGRPAAXNTN-INIZCTEOSA-N -1 0 333.334 3.853 20 0 EHADRM CC[C@](NC(=O)c1cc(C)cc(F)c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595265518 980276359 /nfs/dbraw/zinc/27/63/59/980276359.db2.gz YJANJIMYIUFHPR-GOSISDBHSA-N -1 0 349.789 3.907 20 0 EHADRM C[C@](NC(=O)CCc1ccc(Cl)cc1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593020249 980279794 /nfs/dbraw/zinc/27/97/94/980279794.db2.gz ZOTVRCDSAVZISO-GOSISDBHSA-N -1 0 349.789 3.528 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC[C@@H]2CCN(c3ccccc3)C2)cc1 ZINC000901513572 980330199 /nfs/dbraw/zinc/33/01/99/980330199.db2.gz OHKMVWRLYDLQIC-INIZCTEOSA-N -1 0 338.451 3.987 20 0 EHADRM O=C([O-])/C=C/c1ccc(CN2CCC[C@](F)(c3ccccc3)C2)o1 ZINC000901543716 980371667 /nfs/dbraw/zinc/37/16/67/980371667.db2.gz KFVNJJYKSKEMFY-JBVUFVISSA-N -1 0 329.371 3.838 20 0 EHADRM CC[C@@](NCC(F)(F)C(F)F)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595288757 980373758 /nfs/dbraw/zinc/37/37/58/980373758.db2.gz AMLYMDRMPGLBLF-LBPRGKRZSA-N -1 0 327.705 3.520 20 0 EHADRM Cc1nn(C(C)C)cc1CN(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000901590746 980396702 /nfs/dbraw/zinc/39/67/02/980396702.db2.gz MOKXQGNOODXXJZ-UHFFFAOYSA-N -1 0 335.835 3.513 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)CCc1ccc(C(F)F)cc1 ZINC000901634540 980413366 /nfs/dbraw/zinc/41/33/66/980413366.db2.gz AHFMNIVEXAOTDN-UHFFFAOYSA-N -1 0 345.345 3.844 20 0 EHADRM Cc1csc(CN[C@@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])n1 ZINC000901844998 980567542 /nfs/dbraw/zinc/56/75/42/980567542.db2.gz VCFNQRJYJLNOOM-ZBFHGGJFSA-N -1 0 330.453 3.505 20 0 EHADRM COc1ccc([C@H](NCc2ccc(SC)o2)C(=O)[O-])cc1Cl ZINC000901848469 980572998 /nfs/dbraw/zinc/57/29/98/980572998.db2.gz MJPCRRHSKXCHNJ-AWEZNQCLSA-N -1 0 341.816 3.579 20 0 EHADRM Cc1cnc(CN[C@@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])s1 ZINC000901849459 980574738 /nfs/dbraw/zinc/57/47/38/980574738.db2.gz WBHIYRTZGPDZJI-ZBFHGGJFSA-N -1 0 330.453 3.505 20 0 EHADRM CC[C@@](NCc1nccn1C(C)C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000901872069 980584828 /nfs/dbraw/zinc/58/48/28/980584828.db2.gz HSVJMMZGMIVWHN-KRWDZBQOSA-N -1 0 335.835 3.597 20 0 EHADRM CC[C@H](OC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1cc(C)ccc1OC ZINC001595336667 980595195 /nfs/dbraw/zinc/59/51/95/980595195.db2.gz NUTHOMBZTZZMCR-FMKPAKJESA-N -1 0 334.412 3.889 20 0 EHADRM CC[C@@H](OC(=O)Cc1c2ccc(C)cc2oc1C(C)=O)[C@@H](C)C(=O)[O-] ZINC001595339600 980613182 /nfs/dbraw/zinc/61/31/82/980613182.db2.gz DIVCPDIRMFLYLV-IAQYHMDHSA-N -1 0 346.379 3.529 20 0 EHADRM CC[C@H](OC(=O)CCc1nc(C)c(-c2ccccc2)o1)[C@@H](C)C(=O)[O-] ZINC001595340159 980616922 /nfs/dbraw/zinc/61/69/22/980616922.db2.gz KZTYKHHMZUIWTC-DOMZBBRYSA-N -1 0 345.395 3.625 20 0 EHADRM CC[C@H](OC(=O)Cc1cccc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC001595348264 980645257 /nfs/dbraw/zinc/64/52/57/980645257.db2.gz UVOFHNLGSKJWHF-INIZCTEOSA-N -1 0 334.318 3.900 20 0 EHADRM CC[C@@H](OC(=O)c1ccc(C2SCCCS2)cc1)C(=O)[O-] ZINC001595349425 980654793 /nfs/dbraw/zinc/65/47/93/980654793.db2.gz YUVVSDGHLIYLQH-GFCCVEGCSA-N -1 0 326.439 3.575 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC001595354601 980693716 /nfs/dbraw/zinc/69/37/16/980693716.db2.gz AATRZNPFRKZFNL-ZHEXZJMTSA-N -1 0 339.476 3.510 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC001595354863 980696296 /nfs/dbraw/zinc/69/62/96/980696296.db2.gz GZNJODJABFADLK-SIXLDLHFSA-N -1 0 339.476 3.510 20 0 EHADRM CO[C@H]1CCN(Cc2ccc(-c3ccccc3Cl)o2)[C@H](C(=O)[O-])C1 ZINC000902032044 980703735 /nfs/dbraw/zinc/70/37/35/980703735.db2.gz OYPACBFNXLOBCI-LRDDRELGSA-N -1 0 349.814 3.664 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)Nc1ncc(C(=O)[O-])c2ccccc21 ZINC001595355997 980707898 /nfs/dbraw/zinc/70/78/98/980707898.db2.gz VERCUCOFUFNLNV-INIZCTEOSA-N -1 0 342.395 3.609 20 0 EHADRM O=C([O-])[C@H]1CCCCCN1Cc1csc(-c2ccc(F)cc2)n1 ZINC000902039241 980709156 /nfs/dbraw/zinc/70/91/56/980709156.db2.gz PMEVHAWLFDNBFX-OAHLLOKOSA-N -1 0 334.416 3.778 20 0 EHADRM CCNC(=O)c1cccc(N[C@H]2CCC[C@H](CCCC(=O)[O-])C2)c1 ZINC000902069722 980719750 /nfs/dbraw/zinc/71/97/50/980719750.db2.gz HPWZFELBLLWEEF-ZBFHGGJFSA-N -1 0 332.444 3.662 20 0 EHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1Nc1cccc(N2CCCCC2=O)c1 ZINC000902123374 980745640 /nfs/dbraw/zinc/74/56/40/980745640.db2.gz JKQYLLFBKDJEBI-CPUCHLNUSA-N -1 0 330.428 3.505 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)CCc1ccccc1C ZINC001595361595 980763147 /nfs/dbraw/zinc/76/31/47/980763147.db2.gz KCNRLDVNPFKJNX-IBGZPJMESA-N -1 0 339.435 3.992 20 0 EHADRM COc1cc(CN(C)Cc2ccc(/C=C/C(=O)[O-])o2)ccc1SC ZINC000902200296 980779076 /nfs/dbraw/zinc/77/90/76/980779076.db2.gz MJPXTQRNFVOENU-VQHVLOKHSA-N -1 0 347.436 3.740 20 0 EHADRM CCc1oc(CN[C@@H]2CCOc3c(CC)cccc32)cc1C(=O)[O-] ZINC000902214551 980785478 /nfs/dbraw/zinc/78/54/78/980785478.db2.gz XVYNMFYWCKQFQC-MRXNPFEDSA-N -1 0 329.396 3.716 20 0 EHADRM CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC001595364072 980789762 /nfs/dbraw/zinc/78/97/62/980789762.db2.gz OGJBGOJDJOLZAV-LBPRGKRZSA-N -1 0 333.413 3.846 20 0 EHADRM Cc1cc(CNc2cccc(C[S@@](=O)C(C)(C)C)c2)oc1C(=O)[O-] ZINC000902267164 980808316 /nfs/dbraw/zinc/80/83/16/980808316.db2.gz CLPGNMDSMNSYMS-XMMPIXPASA-N -1 0 349.452 3.946 20 0 EHADRM CC[C@H](NCc1cc(C)c(C(=O)[O-])o1)c1cccc(OC)c1OC ZINC000902274371 980813803 /nfs/dbraw/zinc/81/38/03/980813803.db2.gz ZYNVYMWXRHDUHR-AWEZNQCLSA-N -1 0 333.384 3.544 20 0 EHADRM CCCOc1ccc(NCc2cc(C(=O)[O-])c(CC)o2)cc1OC ZINC000902329586 980835446 /nfs/dbraw/zinc/83/54/46/980835446.db2.gz YYMOSUUBHPFQTA-UHFFFAOYSA-N -1 0 333.384 3.950 20 0 EHADRM CCOC(=O)c1ccc(C(F)(F)F)c(-c2cc(F)c([O-])cc2F)n1 ZINC001206767796 1014687181 /nfs/dbraw/zinc/68/71/81/1014687181.db2.gz KCQRLNUJIIWZRL-UHFFFAOYSA-N -1 0 347.239 3.928 20 0 EHADRM Cc1cccc(OCCCCC(=O)NCc2ccccc2C(=O)[O-])c1 ZINC000902365517 980855223 /nfs/dbraw/zinc/85/52/23/980855223.db2.gz TVGFXFFVOVRFLN-UHFFFAOYSA-N -1 0 341.407 3.559 20 0 EHADRM CC[C@]1(C)Oc2ccc(NC(=O)c3ccc(/C=C\C(=O)[O-])o3)cc2O1 ZINC001595372680 980864816 /nfs/dbraw/zinc/86/48/16/980864816.db2.gz QSJVJLLZXCTQHC-OTIVFRFGSA-N -1 0 343.335 3.527 20 0 EHADRM CC[C@]1(C)Oc2ccc(N[C@@H](C)c3cncc(C(=O)[O-])c3)cc2O1 ZINC001595372826 980866167 /nfs/dbraw/zinc/86/61/67/980866167.db2.gz WKHDCAWLQDLPJU-BBATYDOGSA-N -1 0 328.368 3.850 20 0 EHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1NCC(F)(F)c1ccc(F)cc1F ZINC000902497048 980910583 /nfs/dbraw/zinc/91/05/83/980910583.db2.gz NDRNZVQLELKAPY-RULNRJAQSA-N -1 0 333.325 3.536 20 0 EHADRM CCC1(CNC(=O)Nc2cccc(OCC(=O)[O-])c2)CCCCC1 ZINC001595378741 980915563 /nfs/dbraw/zinc/91/55/63/980915563.db2.gz LCSWWEAUKKXWKC-UHFFFAOYSA-N -1 0 334.416 3.632 20 0 EHADRM CC[C@]1(CO)CCCN(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])C1 ZINC001595382511 980923848 /nfs/dbraw/zinc/92/38/48/980923848.db2.gz IVOLICJJWHSAAO-IBGZPJMESA-N -1 0 348.443 3.525 20 0 EHADRM CCC1(NC(=O)Nc2cc(C(=O)[O-])cc3cccnc32)CCCC1 ZINC001595390812 980947596 /nfs/dbraw/zinc/94/75/96/980947596.db2.gz NARHHKQCWXUUBE-UHFFFAOYSA-N -1 0 327.384 3.777 20 0 EHADRM CCC1CCC(NC(=O)/C=C(\C)c2ccccc2C)(C(=O)[O-])CC1 ZINC001595421025 981039981 /nfs/dbraw/zinc/03/99/81/981039981.db2.gz XEYBHGWTDOGXRH-FYWRMAATSA-N -1 0 329.440 3.938 20 0 EHADRM CCC1CCC(NC(=O)Cc2ccc(Cl)c(F)c2)(C(=O)[O-])CC1 ZINC001595422347 981041643 /nfs/dbraw/zinc/04/16/43/981041643.db2.gz SGDCANZLHAUJKR-UHFFFAOYSA-N -1 0 341.810 3.561 20 0 EHADRM CCC1CCC(NC(=O)c2cc3sccc3c(O)c2)(C(=O)[O-])CC1 ZINC001595424606 981042702 /nfs/dbraw/zinc/04/27/02/981042702.db2.gz FZYIQCWIVRNMJL-UHFFFAOYSA-N -1 0 347.436 3.760 20 0 EHADRM CC[C@@H]1CCC[C@@H](NC(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)C1 ZINC001595432326 981056892 /nfs/dbraw/zinc/05/68/92/981056892.db2.gz PLJXPCFZPYTHFY-CHWSQXEVSA-N -1 0 348.418 3.560 20 0 EHADRM CC[C@@H]1CCC[C@@H]1C(=O)N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001595436734 981070817 /nfs/dbraw/zinc/07/08/17/981070817.db2.gz VBNXNHDQITVDDC-SWHYSGLUSA-N -1 0 343.345 3.774 20 0 EHADRM CC[C@@H]1CCCC[C@H]1CNC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001595440447 981077315 /nfs/dbraw/zinc/07/73/15/981077315.db2.gz KFLPKWNJRTZTPN-WBVHZDCISA-N -1 0 332.444 3.743 20 0 EHADRM CC[C@H]1CCCC[C@H]1N(C)C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001595444002 981084894 /nfs/dbraw/zinc/08/48/94/981084894.db2.gz HASVAKLSXVTOIT-WMLDXEAASA-N -1 0 342.439 3.767 20 0 EHADRM CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001595444353 981087435 /nfs/dbraw/zinc/08/74/35/981087435.db2.gz NOGXOWHYULNCLW-XHDPSFHLSA-N -1 0 329.400 3.956 20 0 EHADRM CC[C@H]1CCCC[C@@H]1N(C)C(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC001595445090 981091595 /nfs/dbraw/zinc/09/15/95/981091595.db2.gz VVPMTVSQHGCBON-HOCLYGCPSA-N -1 0 348.443 3.504 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001595446663 981093133 /nfs/dbraw/zinc/09/31/33/981093133.db2.gz ASDXYLUAPJQVHI-YGRLFVJLSA-N -1 0 341.354 3.587 20 0 EHADRM CC[C@@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)CC1 ZINC001595453686 981119430 /nfs/dbraw/zinc/11/94/30/981119430.db2.gz VDWQOWXWURITPL-CYBMUJFWSA-N -1 0 341.411 3.977 20 0 EHADRM Cc1cccnc1[C@@H](NCc1ccc(/C=C/C(=O)[O-])o1)C(C)(C)C ZINC000905798770 981156936 /nfs/dbraw/zinc/15/69/36/981156936.db2.gz OFROKAQTIXKAHR-QZEKMECESA-N -1 0 328.412 3.958 20 0 EHADRM CC[C@@H]1CCc2nc(NC(=O)c3ccsc3C(=O)[O-])sc2C1 ZINC001595473608 981183483 /nfs/dbraw/zinc/18/34/83/981183483.db2.gz YPLUNQMNGJKYQD-MRVPVSSYSA-N -1 0 336.438 3.670 20 0 EHADRM CC(F)(F)c1cccc(NC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c1 ZINC000907659073 981205042 /nfs/dbraw/zinc/20/50/42/981205042.db2.gz OXWIUDVYQOEQTD-DNVCBOLYSA-N -1 0 345.345 3.995 20 0 EHADRM CC[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC001595484105 981217099 /nfs/dbraw/zinc/21/70/99/981217099.db2.gz NOONVDLJOXJGOE-DRCTWCGVSA-N -1 0 332.227 3.618 20 0 EHADRM O=C([O-])c1cccc2c1CCN2C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000907976325 981248694 /nfs/dbraw/zinc/24/86/94/981248694.db2.gz HSJMYSVDCZKQOU-MNOVXSKESA-N -1 0 341.329 3.643 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000908025453 981253501 /nfs/dbraw/zinc/25/35/01/981253501.db2.gz XBDYHOWKAPCHCV-CHWSQXEVSA-N -1 0 345.361 3.728 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@H]2CCSC3(CC(C(=O)[O-])C3)C2)cc1 ZINC000908165267 981275697 /nfs/dbraw/zinc/27/56/97/981275697.db2.gz NGOMGKOSUIGUPS-WUJZJPHMSA-N -1 0 347.480 3.669 20 0 EHADRM CC[C@@H]1c2ccccc2CN1C(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC000908181980 981280676 /nfs/dbraw/zinc/28/06/76/981280676.db2.gz USYKGYCZJVLSDL-WAOWUJCRSA-N -1 0 335.403 3.738 20 0 EHADRM O=C([O-])[C@H](CNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)CC1CCCC1 ZINC000908282198 981294828 /nfs/dbraw/zinc/29/48/28/981294828.db2.gz JEOVDVDEZZQUIR-RDBSUJKOSA-N -1 0 349.393 3.752 20 0 EHADRM CC(C)(CC(=O)NC[C@H](CC1CCCC1)C(=O)[O-])CC(F)(F)F ZINC000908293980 981299064 /nfs/dbraw/zinc/29/90/64/981299064.db2.gz WAZISQGUYWLIEA-LBPRGKRZSA-N -1 0 337.382 3.752 20 0 EHADRM C[C@@H](C(=O)NCCCCC1(C(=O)[O-])CCC1)c1ccc(Cl)cc1 ZINC000908338232 981302877 /nfs/dbraw/zinc/30/28/77/981302877.db2.gz HMQRIPNQANSAPK-CYBMUJFWSA-N -1 0 337.847 3.985 20 0 EHADRM O=C([O-])C12CCC(C(=O)Nc3ccc(OC(F)F)cc3)(CC1)CC2 ZINC000908698731 981340915 /nfs/dbraw/zinc/34/09/15/981340915.db2.gz YVIFEOFOTFZWGN-UHFFFAOYSA-N -1 0 339.338 3.652 20 0 EHADRM CC(C)c1ccc(CN(C(=O)c2ccoc2CC(=O)[O-])C2CC2)cc1 ZINC000908703316 981342172 /nfs/dbraw/zinc/34/21/72/981342172.db2.gz JENIINAWUIPLCY-UHFFFAOYSA-N -1 0 341.407 3.835 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c(C)s1 ZINC000908721195 981347843 /nfs/dbraw/zinc/34/78/43/981347843.db2.gz UZWRXWUEBPSXKR-RGZNSWCXSA-N -1 0 335.469 3.967 20 0 EHADRM CCN(Cc1cccc(Cl)c1)C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000908724204 981348573 /nfs/dbraw/zinc/34/85/73/981348573.db2.gz UNAIVNIBXIFIRN-UHFFFAOYSA-N -1 0 335.831 3.724 20 0 EHADRM CCOCc1cccc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC000908771712 981359247 /nfs/dbraw/zinc/35/92/47/981359247.db2.gz JAAKCSDPNPCOQH-UHFFFAOYSA-N -1 0 331.412 3.587 20 0 EHADRM CC(C)Sc1ccc([C@@H](C)NC(=O)c2ccoc2CC(=O)[O-])cc1 ZINC000908781161 981361540 /nfs/dbraw/zinc/36/15/40/981361540.db2.gz MRQYAUCBYXJJDN-GFCCVEGCSA-N -1 0 347.436 3.898 20 0 EHADRM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000908832521 981370162 /nfs/dbraw/zinc/37/01/62/981370162.db2.gz GVNYZFHJCLFXLT-NQQMIMOSSA-N -1 0 341.451 3.816 20 0 EHADRM CCC[C@@H](C(=O)N1CCC[C@@](C)(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001595532183 981370907 /nfs/dbraw/zinc/37/09/07/981370907.db2.gz GLXALOCTWPVPEJ-CRAIPNDOSA-N -1 0 337.847 3.937 20 0 EHADRM CCC[C@H](C(=O)N1CC[C@@H](C)C[C@@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC001595532438 981371767 /nfs/dbraw/zinc/37/17/67/981371767.db2.gz JNYUJXZGMVVHCQ-UHOFOFEASA-N -1 0 337.847 3.935 20 0 EHADRM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2ccoc2CC(=O)[O-])o1 ZINC000908835490 981372466 /nfs/dbraw/zinc/37/24/66/981372466.db2.gz PKRABCPESNBBPT-IUODEOHRSA-N -1 0 345.395 3.676 20 0 EHADRM Cc1c(NC(=O)[C@@H](C)[C@H]2OCCc3sccc32)cccc1C(=O)[O-] ZINC000908845030 981376583 /nfs/dbraw/zinc/37/65/83/981376583.db2.gz URZQVHXXYWRJHR-MEDUHNTESA-N -1 0 345.420 3.643 20 0 EHADRM Cc1nc(C2CC2)ccc1C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000908941932 981390245 /nfs/dbraw/zinc/39/02/45/981390245.db2.gz CIWWIMTWCLPBEN-SFHVURJKSA-N -1 0 338.407 3.603 20 0 EHADRM CCC[C@@](C)(NC(=O)Cc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001595546552 981411734 /nfs/dbraw/zinc/41/17/34/981411734.db2.gz GEKFFLNJJOOBSW-HXUWFJFHSA-N -1 0 325.408 3.759 20 0 EHADRM Cc1c(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)cnn1C1CCCCC1 ZINC000909107058 981418190 /nfs/dbraw/zinc/41/81/90/981418190.db2.gz YVYAUFHXBMLFCP-UHFFFAOYSA-N -1 0 345.374 3.786 20 0 EHADRM CCC[C@](C)(NC(=O)c1cccc(N[C@@H](C)C(C)C)c1C)C(=O)[O-] ZINC001595554292 981435956 /nfs/dbraw/zinc/43/59/56/981435956.db2.gz YEDCAJWAEARYDK-LIRRHRJNSA-N -1 0 334.460 3.825 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)NCCCc1cccc(Cl)c1 ZINC000909406614 981486003 /nfs/dbraw/zinc/48/60/03/981486003.db2.gz GCZOYCNPZXYBLO-UHFFFAOYSA-N -1 0 345.826 3.720 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)c1ccoc1CC(=O)[O-])C(C)(C)C ZINC000909412142 981487636 /nfs/dbraw/zinc/48/76/36/981487636.db2.gz HKDYJALPJDYRHO-QGZVFWFLSA-N -1 0 329.396 3.732 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2ccoc2CC(=O)[O-])C(C)(C)C)c1 ZINC000909413277 981488317 /nfs/dbraw/zinc/48/83/17/981488317.db2.gz PUMFXYPLJXOCPJ-KRWDZBQOSA-N -1 0 329.396 3.732 20 0 EHADRM C[C@H](CN(C(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1)C1CC1)C(=O)[O-] ZINC000909456770 981498581 /nfs/dbraw/zinc/49/85/81/981498581.db2.gz HDWZRZNEWNOTPK-MNOVXSKESA-N -1 0 343.345 3.521 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]2c2ccccc2)C1 ZINC000909494954 981511155 /nfs/dbraw/zinc/51/11/55/981511155.db2.gz JAQDYMCNSHHPRQ-SQNIBIBYSA-N -1 0 343.467 3.920 20 0 EHADRM CCCc1c(C(=O)Nc2cc(C(=O)[O-])cs2)cnn1C1CCCC1 ZINC000909516231 981522937 /nfs/dbraw/zinc/52/29/37/981522937.db2.gz SYBXVQMWHRAEAM-UHFFFAOYSA-N -1 0 347.440 3.963 20 0 EHADRM CCC[C@@H](CC(C)C)C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-] ZINC001595585955 981527920 /nfs/dbraw/zinc/52/79/20/981527920.db2.gz JWYLMBPXDFXANW-HOTGVXAUSA-N -1 0 337.435 3.648 20 0 EHADRM CCC[C@@H](CCc1ccccc1)NC(=O)NCC(C)(C)CC(=O)[O-] ZINC001595592211 981550548 /nfs/dbraw/zinc/55/05/48/981550548.db2.gz WQIDFODKMWLYEX-INIZCTEOSA-N -1 0 334.460 3.588 20 0 EHADRM CCC[C@@H](NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-])C(C)(C)C ZINC001595600058 981576306 /nfs/dbraw/zinc/57/63/06/981576306.db2.gz JMLRVZCJOVNMIW-OAHLLOKOSA-N -1 0 330.428 3.740 20 0 EHADRM CCC[C@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1ccc(F)cc1F ZINC001595600083 981577087 /nfs/dbraw/zinc/57/70/87/981577087.db2.gz KIJWRTRWQXJAMC-INIZCTEOSA-N -1 0 333.334 3.934 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N1CCC[C@H]1CCCc1ccccc1 ZINC000909726711 981581422 /nfs/dbraw/zinc/58/14/22/981581422.db2.gz WGDNDRPXIWADJF-MRXNPFEDSA-N -1 0 341.407 3.534 20 0 EHADRM O=C([O-])CSCCC(=O)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000909727610 981581452 /nfs/dbraw/zinc/58/14/52/981581452.db2.gz BGGGXYVKMIHIMC-CQSZACIVSA-N -1 0 341.860 3.602 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2OC)cc1C1CC1 ZINC000909733432 981586764 /nfs/dbraw/zinc/58/67/64/981586764.db2.gz RXTQXRQZXDYMFC-UHFFFAOYSA-N -1 0 341.363 3.532 20 0 EHADRM CC[C@@H](SC)C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000909785687 981620972 /nfs/dbraw/zinc/62/09/72/981620972.db2.gz DAMUVONLOMFTLU-HZPDHXFCSA-N -1 0 331.437 3.613 20 0 EHADRM CC(C)[C@@H](C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1)c1cccnc1 ZINC000909835175 981653187 /nfs/dbraw/zinc/65/31/87/981653187.db2.gz DYGUWXZRHJJXMR-SUMWQHHRSA-N -1 0 326.396 3.648 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)CCC[C@H](O)c2ccccc2)c1 ZINC000909835334 981654060 /nfs/dbraw/zinc/65/40/60/981654060.db2.gz RQDWOMHOEZEJME-KDOFPFPSSA-N -1 0 341.407 3.717 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)NCC1(c2ccc(C(C)C)cc2)CCCC1 ZINC001594752504 981655170 /nfs/dbraw/zinc/65/51/70/981655170.db2.gz AYEJVMNASSXMCI-KRWDZBQOSA-N -1 0 331.456 3.849 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cccc(N3CCCC3)c2)cc1 ZINC000909837455 981658018 /nfs/dbraw/zinc/65/80/18/981658018.db2.gz VVVLKODVLXXXIF-CQSZACIVSA-N -1 0 338.407 3.727 20 0 EHADRM CCC[C@]1(COC)CCCN1C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001595618205 981662744 /nfs/dbraw/zinc/66/27/44/981662744.db2.gz OYLPKNSIVDTIHU-GOSISDBHSA-N -1 0 334.416 3.506 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)NCc1ccc(C)cc1O[C@H](C)CC(C)C ZINC001594756064 981671482 /nfs/dbraw/zinc/67/14/82/981671482.db2.gz DTYDZWNHGBBKTR-GDBMZVCRSA-N -1 0 335.444 3.535 20 0 EHADRM CCC[C@@H]1[C@H](C)CCCN1C(=O)Nc1cccc(C(=O)[O-])c1OC ZINC001595619404 981677587 /nfs/dbraw/zinc/67/75/87/981677587.db2.gz CPHFLTRUSPLFLU-IUODEOHRSA-N -1 0 334.416 3.826 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC001594759671 981689244 /nfs/dbraw/zinc/68/92/44/981689244.db2.gz QDDYVYSBWCSLQK-ZDUSSCGKSA-N -1 0 334.759 3.577 20 0 EHADRM CCC[C@@H]1C[C@H](C(=O)OCc2cc(C(=O)[O-])ccc2Cl)CCO1 ZINC001595620533 981690863 /nfs/dbraw/zinc/69/08/63/981690863.db2.gz LFOSSQXABDJOFU-TZMCWYRMSA-N -1 0 340.803 3.677 20 0 EHADRM C[C@H](c1ccc(C(=O)NC[C@H](CC2CC2)C(=O)[O-])cc1)C(F)(F)F ZINC000909884261 981696685 /nfs/dbraw/zinc/69/66/85/981696685.db2.gz OZCGBWCXCPNKII-YGRLFVJLSA-N -1 0 343.345 3.583 20 0 EHADRM CCC[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])cc2OCC)C1 ZINC001595622245 981708017 /nfs/dbraw/zinc/70/80/17/981708017.db2.gz KFSGVOVEGGHQAI-CYBMUJFWSA-N -1 0 334.416 3.828 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@@H]1CCCC(F)(F)C1)c1ccccc1 ZINC001594768234 981728718 /nfs/dbraw/zinc/72/87/18/981728718.db2.gz RMFRQBMJYYDSCZ-OCCSQVGLSA-N -1 0 325.355 3.708 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1cc(C)cnc1Cl)c1ccccc1 ZINC001594768470 981731087 /nfs/dbraw/zinc/73/10/87/981731087.db2.gz ZEPUDOQLOGQFLG-CQSZACIVSA-N -1 0 332.787 3.553 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)CCCc1ccc(C)cc1 ZINC001594780840 981785040 /nfs/dbraw/zinc/78/50/40/981785040.db2.gz HZJWSVUPSDSVHV-HXUWFJFHSA-N -1 0 331.456 3.810 20 0 EHADRM Cc1ccccc1[C@@H](C)C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC000910233854 981797509 /nfs/dbraw/zinc/79/75/09/981797509.db2.gz PNRIAZIOETWWFF-OLZOCXBDSA-N -1 0 345.370 3.728 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccsc1C(F)F ZINC001594785014 981802135 /nfs/dbraw/zinc/80/21/35/981802135.db2.gz JTGKIAITVLKKMU-HNNXBMFYSA-N -1 0 331.384 3.791 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)c(Cl)c1C ZINC000910239333 981806136 /nfs/dbraw/zinc/80/61/36/981806136.db2.gz JYOMSRJHWZLUJE-IPYPFGDCSA-N -1 0 335.831 3.672 20 0 EHADRM CCCC[C@H](CCC)NC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001595633048 981864517 /nfs/dbraw/zinc/86/45/17/981864517.db2.gz AJLRKROHFQTZIX-AWEZNQCLSA-N -1 0 330.428 3.815 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cc2c(s1)CCCC2 ZINC001594793585 981865564 /nfs/dbraw/zinc/86/55/64/981865564.db2.gz VCCSKCWLCRVOTL-SFHVURJKSA-N -1 0 335.469 3.732 20 0 EHADRM CCC(C)(C)C1CCC(CC(=O)N(OC)[C@@H](C)CC(=O)[O-])CC1 ZINC001594796526 981877402 /nfs/dbraw/zinc/87/74/02/981877402.db2.gz CBGGZFMPXLXKKI-NFOMZHRRSA-N -1 0 327.465 3.872 20 0 EHADRM CCCC[C@H](NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001595634584 981890108 /nfs/dbraw/zinc/89/01/08/981890108.db2.gz QIAWHFGNGSTVBW-CJNGLKHVSA-N -1 0 335.444 3.511 20 0 EHADRM CCCC[C@@H](NC(=O)Cc1csc2cc(C)sc12)C(=O)[O-] ZINC001595635631 981906373 /nfs/dbraw/zinc/90/63/73/981906373.db2.gz DMSNCGZNXOZIAC-LLVKDONJSA-N -1 0 325.455 3.573 20 0 EHADRM CCC(C)(C)OCC(=O)Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1 ZINC001594808643 981920550 /nfs/dbraw/zinc/92/05/50/981920550.db2.gz WHESTRNDVHUDTC-UHFFFAOYSA-N -1 0 348.424 3.652 20 0 EHADRM CCCC[C@@H](NC(=O)c1ccc(C(F)(F)F)c(F)c1C)C(=O)[O-] ZINC001595636722 981921642 /nfs/dbraw/zinc/92/16/42/981921642.db2.gz MUSFYMHHGITJLU-LLVKDONJSA-N -1 0 335.297 3.526 20 0 EHADRM CCC(C)(C)c1ccccc1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC001594815669 981944410 /nfs/dbraw/zinc/94/44/10/981944410.db2.gz JIXBFCVYLYQQIY-GOSISDBHSA-N -1 0 339.435 3.800 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)CCC[C@H](C)c1cccc(OC)c1 ZINC001594819017 981962748 /nfs/dbraw/zinc/96/27/48/981962748.db2.gz MAEPDNJCDMBBBW-IFXJQAMLSA-N -1 0 335.444 3.729 20 0 EHADRM C[C@@H](C(=O)N1CCc2cc(C(=O)[O-])ccc2C1)c1ccc(Cl)s1 ZINC000910506430 981972466 /nfs/dbraw/zinc/97/24/66/981972466.db2.gz PQCWXVATCVJSPJ-SNVBAGLBSA-N -1 0 349.839 3.788 20 0 EHADRM CCCC[C@@H](OC(=O)c1cc(CC)nc2onc(C(C)C)c21)C(=O)[O-] ZINC001595649440 982007001 /nfs/dbraw/zinc/00/70/01/982007001.db2.gz CEICSWIWCJINJF-CYBMUJFWSA-N -1 0 348.399 3.709 20 0 EHADRM CCCC[C@H](S[C@H](C)C(=O)N[C@H](C)c1ccccc1C)C(=O)[O-] ZINC001595652896 982037726 /nfs/dbraw/zinc/03/77/26/982037726.db2.gz YWLZOFIYMXEMBE-FMKPAKJESA-N -1 0 337.485 3.937 20 0 EHADRM CCCC[C@H](S[C@@H](C)C(=O)N[C@@H](C)c1ccccc1C)C(=O)[O-] ZINC001595652895 982038205 /nfs/dbraw/zinc/03/82/05/982038205.db2.gz YWLZOFIYMXEMBE-DZKIICNBSA-N -1 0 337.485 3.937 20 0 EHADRM CCCCNc1ccccc1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000910646114 982038711 /nfs/dbraw/zinc/03/87/11/982038711.db2.gz MALHAYVTSUPBDO-UHFFFAOYSA-N -1 0 347.440 3.625 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1C1CC1 ZINC000910649426 982041306 /nfs/dbraw/zinc/04/13/06/982041306.db2.gz XBTXGTJFFDVXMO-YUTCNCBUSA-N -1 0 333.432 3.561 20 0 EHADRM CCCC[C@H](SCC(=O)N(CC)Cc1cccc(F)c1)C(=O)[O-] ZINC001595656356 982052530 /nfs/dbraw/zinc/05/25/30/982052530.db2.gz XKUUZCYOMGVULV-HNNXBMFYSA-N -1 0 341.448 3.551 20 0 EHADRM CC[C@](C)(NC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O)C(=O)[O-] ZINC001594841563 982055713 /nfs/dbraw/zinc/05/57/13/982055713.db2.gz BBWWDJUXNDGADK-FQEVSTJZSA-N -1 0 349.471 3.970 20 0 EHADRM COc1ccccc1CCC(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC000910701703 982072019 /nfs/dbraw/zinc/07/20/19/982072019.db2.gz XAQJYFOLTUHBAX-UHFFFAOYSA-N -1 0 348.424 3.545 20 0 EHADRM CCCCC[C@@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-])C(C)C ZINC001595663478 982083909 /nfs/dbraw/zinc/08/39/09/982083909.db2.gz XPMFZRWCSSMPRR-IAGOWNOFSA-N -1 0 337.435 3.790 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)/C=C/C2CCCCC2)nc1C(=O)[O-] ZINC000910726978 982090531 /nfs/dbraw/zinc/09/05/31/982090531.db2.gz LYNDMZVDYVQHJR-HBWSCVEGSA-N -1 0 348.468 3.950 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)c2cc(C)cc(F)c2)nc1C(=O)[O-] ZINC000910733496 982095529 /nfs/dbraw/zinc/09/55/29/982095529.db2.gz UILMGGHUPXCOCF-ZDUSSCGKSA-N -1 0 348.399 3.575 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)c2cc(C)ccc2F)nc1C(=O)[O-] ZINC000910734972 982097795 /nfs/dbraw/zinc/09/77/95/982097795.db2.gz XRNZUBVHLITTBZ-ZDUSSCGKSA-N -1 0 348.399 3.575 20 0 EHADRM Cc1ccc(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)c(Cl)c1 ZINC000910735633 982097939 /nfs/dbraw/zinc/09/79/39/982097939.db2.gz UMJHPMRPYWDTQY-UHFFFAOYSA-N -1 0 336.800 3.933 20 0 EHADRM O=C([O-])c1nc(NC(=O)c2ccc(Cl)s2)sc1C1CC1 ZINC000910738247 982098596 /nfs/dbraw/zinc/09/85/96/982098596.db2.gz YQSRMAABLNGGFR-UHFFFAOYSA-N -1 0 328.802 3.686 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910741744 982105231 /nfs/dbraw/zinc/10/52/31/982105231.db2.gz LILXCHDBSVUFMO-UHFFFAOYSA-N -1 0 334.397 3.996 20 0 EHADRM CCCCC[C@H](NC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001595669361 982113141 /nfs/dbraw/zinc/11/31/41/982113141.db2.gz HKENFKNONDONDP-FZMZJTMJSA-N -1 0 345.361 3.959 20 0 EHADRM CCCCC[C@@H](CC)C(=O)Nc1cccc(-n2cc(C(=O)[O-])nn2)c1 ZINC001595669973 982116003 /nfs/dbraw/zinc/11/60/03/982116003.db2.gz LLFFKEWOBHPVNI-CYBMUJFWSA-N -1 0 344.415 3.511 20 0 EHADRM CCCCC[C@H](NC(=O)[C@@H](C)Oc1cccc(C(C)(C)C)c1)C(=O)[O-] ZINC001595670505 982119256 /nfs/dbraw/zinc/11/92/56/982119256.db2.gz QWCNYWSWOJEKOB-PBHICJAKSA-N -1 0 349.471 3.901 20 0 EHADRM CCCCC[C@@H](NC(=O)/C=C/Sc1cc(F)ccc1F)C(=O)[O-] ZINC001595672634 982136367 /nfs/dbraw/zinc/13/63/67/982136367.db2.gz SIEVSBWACBZWHM-MMQHEFTJSA-N -1 0 343.395 3.720 20 0 EHADRM CCCCC[C@H](NC(=O)[C@@H]1CCC[C@H]1Cc1ccccc1)C(=O)[O-] ZINC001595673206 982139417 /nfs/dbraw/zinc/13/94/17/982139417.db2.gz WDMIOCOPIGZEEA-KSZLIROESA-N -1 0 331.456 3.795 20 0 EHADRM CCCCC[C@@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)C(C)(C)C ZINC001595673266 982140877 /nfs/dbraw/zinc/14/08/77/982140877.db2.gz UYSXNRCTVAHYPZ-RRFJBIMHSA-N -1 0 326.481 3.734 20 0 EHADRM CC/C(C)=C(\C)C(=O)N[C@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC001594861779 982150129 /nfs/dbraw/zinc/15/01/29/982150129.db2.gz MDLYMAZKTPNUTR-LXKVQUBZSA-N -1 0 345.317 3.574 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1OC ZINC000910961502 982180161 /nfs/dbraw/zinc/18/01/61/982180161.db2.gz VBSGMEJQDRGSGK-JKSUJKDBSA-N -1 0 339.391 3.698 20 0 EHADRM CCCCCC[C@H](CC)C(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001595698625 982252827 /nfs/dbraw/zinc/25/28/27/982252827.db2.gz SISLHYDWDIANEG-UONOGXRCSA-N -1 0 335.448 3.529 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3CCc4cc(Cl)ccc43)(CC1)CC2 ZINC000911166107 982264406 /nfs/dbraw/zinc/26/44/06/982264406.db2.gz AUXSPQXNMVWTEY-UHFFFAOYSA-N -1 0 333.815 3.654 20 0 EHADRM CCCCCCN(Cc1ccc(C)o1)C(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001595708929 982288128 /nfs/dbraw/zinc/28/81/28/982288128.db2.gz LUFFCOAQWFMGET-UHFFFAOYSA-N -1 0 332.400 3.837 20 0 EHADRM CCCCCCNC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001595711904 982302003 /nfs/dbraw/zinc/30/20/03/982302003.db2.gz CYLMBWAZMXJXNL-MRXNPFEDSA-N -1 0 332.444 3.684 20 0 EHADRM CC[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])c1nc(-c2ccccc2)c[nH]1 ZINC000911262383 982320776 /nfs/dbraw/zinc/32/07/76/982320776.db2.gz FFRZIKWSFWTFKC-CQSZACIVSA-N -1 0 343.427 3.535 20 0 EHADRM CCCCCn1cc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c2ccccc21 ZINC001595728655 982361915 /nfs/dbraw/zinc/36/19/15/982361915.db2.gz WHKAESYKIJGXLS-HXUWFJFHSA-N -1 0 342.439 3.768 20 0 EHADRM CCCCN(C(=O)c1ccc(OCC(=O)[O-])cc1)[C@@H]1CCC[C@@H](C)C1 ZINC001595735522 982378636 /nfs/dbraw/zinc/37/86/36/982378636.db2.gz HJWHPHHMBXXIDJ-NVXWUHKLSA-N -1 0 347.455 3.971 20 0 EHADRM CCCCN(C)c1ccc(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)cc1 ZINC001595741311 982402421 /nfs/dbraw/zinc/40/24/21/982402421.db2.gz JEOISANBKXPXLH-UHFFFAOYSA-N -1 0 344.455 3.897 20 0 EHADRM CCCCN(Cc1c(C)oc(C)c1C)c1nc(C)cc(C(=O)[O-])n1 ZINC001595749241 982421926 /nfs/dbraw/zinc/42/19/26/982421926.db2.gz SIVNKVJBPJMELW-UHFFFAOYSA-N -1 0 331.416 3.808 20 0 EHADRM O=C([O-])C12CCC(C(=O)Nc3cc(Cl)c([O-])cc3F)(CC1)CC2 ZINC000911420775 982425033 /nfs/dbraw/zinc/42/50/33/982425033.db2.gz DQXZFYJDYBNZEC-UHFFFAOYSA-N -1 0 341.766 3.548 20 0 EHADRM CCc1nc(C)c([C@@H](C)N(C)C(=O)/C=C\c2cc(C(=O)[O-])co2)s1 ZINC000911426363 982427128 /nfs/dbraw/zinc/42/71/28/982427128.db2.gz DYFYPMKIVGQLPC-JMEBYUIHSA-N -1 0 348.424 3.538 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC001594913082 982428162 /nfs/dbraw/zinc/42/81/62/982428162.db2.gz XLOGAHBXBCXKCE-HQJQHLMTSA-N -1 0 337.725 3.588 20 0 EHADRM CC1(C)Cc2ccccc2N(C(=O)c2ccc(/C=C\C(=O)[O-])o2)C1 ZINC000911452215 982437013 /nfs/dbraw/zinc/43/70/13/982437013.db2.gz LZNLHYFYTLUICG-NTMALXAHSA-N -1 0 325.364 3.607 20 0 EHADRM C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000911589637 982521180 /nfs/dbraw/zinc/52/11/80/982521180.db2.gz IMGNTPGPUTXNLV-SCZZXKLOSA-N -1 0 349.736 3.841 20 0 EHADRM CCCCOc1ccc(C(=O)Nc2cc(C)c(C(=O)[O-])c(C)n2)cc1 ZINC001595776976 982545559 /nfs/dbraw/zinc/54/55/59/982545559.db2.gz OMLXXXBZMYJXET-UHFFFAOYSA-N -1 0 342.395 3.828 20 0 EHADRM CCCCc1ccc(C(=O)N[C@@](C)(CC(=O)[O-])c2ccncc2)cc1 ZINC000911619366 982558823 /nfs/dbraw/zinc/55/88/23/982558823.db2.gz FQCKGLDNIHMRTG-FQEVSTJZSA-N -1 0 340.423 3.544 20 0 EHADRM C/C(=C/C1CCC(C)CC1)C(=O)N[C@@](C)(CC(=O)[O-])c1ccccn1 ZINC000911623821 982567059 /nfs/dbraw/zinc/56/70/59/982567059.db2.gz NNRLGCZTANNZEL-PLJFSWTISA-N -1 0 344.455 3.660 20 0 EHADRM CCCCS[C@@H](C)C(=O)NC[C@H](C(=O)[O-])C1CCCCCC1 ZINC001595786083 982573407 /nfs/dbraw/zinc/57/34/07/982573407.db2.gz NSWXOTJBDCGGJY-ZFWWWQNUSA-N -1 0 329.506 3.696 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)[C@@H](C)c1cccc(CC(C)C)c1)C(=O)[O-] ZINC001594935885 982589404 /nfs/dbraw/zinc/58/94/04/982589404.db2.gz CEOSPDMLNQORGH-RLFYNMQTSA-N -1 0 333.472 3.994 20 0 EHADRM CCCCSCCC(=O)Oc1ccc(/C=C/C(=O)[O-])cc1OC ZINC001595791565 982589577 /nfs/dbraw/zinc/58/95/77/982589577.db2.gz CJUZLNPIJMOHKC-SOFGYWHQSA-N -1 0 338.425 3.622 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000911664178 982593402 /nfs/dbraw/zinc/59/34/02/982593402.db2.gz KPFRLUNPQKKDQN-NUJGCVRESA-N -1 0 345.414 3.769 20 0 EHADRM CCCCc1ccc(CC(=O)NCC2(CC(=O)[O-])CCCC2)cc1 ZINC001595797523 982606594 /nfs/dbraw/zinc/60/65/94/982606594.db2.gz XPTMMOUYVKXNKG-UHFFFAOYSA-N -1 0 331.456 3.723 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000911717054 982610958 /nfs/dbraw/zinc/61/09/58/982610958.db2.gz CNXSMZPUUCNYCO-JCNLHEQBSA-N -1 0 343.810 3.643 20 0 EHADRM CCOc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)cc1 ZINC000911738864 982621396 /nfs/dbraw/zinc/62/13/96/982621396.db2.gz KRFWEFPIEMNPBM-UHFFFAOYSA-N -1 0 343.379 3.823 20 0 EHADRM CC(C)Oc1c(NC(=O)CSC(C)(C)C)cccc1C(=O)[O-] ZINC000911739878 982622982 /nfs/dbraw/zinc/62/29/82/982622982.db2.gz ZWPSSYZRDUKCIF-UHFFFAOYSA-N -1 0 325.430 3.642 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)c1cc(-c2ccccc2)oc1C)C(=O)[O-] ZINC001594944452 982626957 /nfs/dbraw/zinc/62/69/57/982626957.db2.gz FJBJCDYSBQECEL-LRDDRELGSA-N -1 0 329.396 3.874 20 0 EHADRM Cc1cc(-c2ncco2)ccc1NC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000911747634 982629274 /nfs/dbraw/zinc/62/92/74/982629274.db2.gz PZMSBMVVLMTLKO-UHFFFAOYSA-N -1 0 340.379 3.624 20 0 EHADRM Cc1c(NC(=O)/C=C\c2nc3ccccc3s2)cccc1C(=O)[O-] ZINC000914731557 982658247 /nfs/dbraw/zinc/65/82/47/982658247.db2.gz BTXSUXMESQKVNX-KTKRTIGZSA-N -1 0 338.388 3.955 20 0 EHADRM CCCN(C(=O)[C@H](CC)c1cccc(C(F)(F)F)c1)[C@@H](C)C(=O)[O-] ZINC001595814747 982661552 /nfs/dbraw/zinc/66/15/52/982661552.db2.gz SXHMBWQBSBPJIO-SMDDNHRTSA-N -1 0 345.361 3.911 20 0 EHADRM CCCN(C(=O)/C=C(/C)c1ccc(C(F)(F)F)cc1)[C@@H](C)C(=O)[O-] ZINC001595816389 982672359 /nfs/dbraw/zinc/67/23/59/982672359.db2.gz HYNYWSOBJVRFFC-WEHUKYGOSA-N -1 0 343.345 3.820 20 0 EHADRM CCCN(C(=O)N[C@H]1CC=C(C(=O)[O-])C1)[C@@H](CC)c1ccccc1 ZINC001595821298 982688960 /nfs/dbraw/zinc/68/89/60/982688960.db2.gz KDPXHTHXHNEXJU-IRXDYDNUSA-N -1 0 330.428 3.733 20 0 EHADRM CCCN(C(=O)Cc1ccc(C(=O)[O-])cc1)[C@H]1CCc2ccccc21 ZINC001595821909 982691310 /nfs/dbraw/zinc/69/13/10/982691310.db2.gz NMDKGSXVVITNDZ-IBGZPJMESA-N -1 0 337.419 3.853 20 0 EHADRM CC[C@H](C)CN(CC)C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001594960329 982709192 /nfs/dbraw/zinc/70/91/92/982709192.db2.gz BVQGTWMYFLZGPI-LBPRGKRZSA-N -1 0 329.400 3.833 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)c1ccc([C@@H]2CCCOC2)cc1 ZINC000923091158 982717471 /nfs/dbraw/zinc/71/74/71/982717471.db2.gz AVRUQUFOTJJLLW-CQSZACIVSA-N -1 0 345.420 3.901 20 0 EHADRM CCCN(C(=O)c1csc(C(=O)[O-])n1)[C@H](CC)c1ccccc1 ZINC001595831986 982724849 /nfs/dbraw/zinc/72/48/49/982724849.db2.gz UPCYGWXNYNROPQ-CQSZACIVSA-N -1 0 332.425 3.845 20 0 EHADRM CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)c1cc(C(=O)[O-])oc1C ZINC001594996236 982898279 /nfs/dbraw/zinc/89/82/79/982898279.db2.gz GGKRIRMVJTUJFZ-GFCCVEGCSA-N -1 0 345.395 3.702 20 0 EHADRM CC[C@H](C)Oc1cc(C(=O)Nc2sc(C)c(C)c2C(=O)[O-])ccn1 ZINC001594996311 982900180 /nfs/dbraw/zinc/90/01/80/982900180.db2.gz JBEXLPLSAIJKLV-VIFPVBQESA-N -1 0 348.424 3.888 20 0 EHADRM CCCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001595887690 982915447 /nfs/dbraw/zinc/91/54/47/982915447.db2.gz BIELVEVYISMWMU-UHFFFAOYSA-N -1 0 344.386 3.897 20 0 EHADRM CCCN(Cc1ccccc1F)Cc1cc(C(=O)[O-])ccc1OC ZINC001595891046 982924489 /nfs/dbraw/zinc/92/44/89/982924489.db2.gz KKSHEIHFUSEICM-UHFFFAOYSA-N -1 0 331.387 3.945 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)CCOc1ccccc1 ZINC001116326181 982929050 /nfs/dbraw/zinc/92/90/50/982929050.db2.gz VVQVBLUKRWKKGA-CYBMUJFWSA-N -1 0 327.380 3.737 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)N[C@H](CC(C)(C)C)C(=O)[O-] ZINC001595013936 982950391 /nfs/dbraw/zinc/95/03/91/982950391.db2.gz OFRMQROSWBGZHG-UKRRQHHQSA-N -1 0 335.444 3.585 20 0 EHADRM CC[C@@H](C)c1cccc(NC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)c1 ZINC001595014549 982953926 /nfs/dbraw/zinc/95/39/26/982953926.db2.gz VPVGFSAVPORVDA-WTANOLMUSA-N -1 0 330.428 3.919 20 0 EHADRM CN(C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3)C(C)(C)CC(=O)[O-] ZINC001118751525 982961871 /nfs/dbraw/zinc/96/18/71/982961871.db2.gz GMJCWXPDFIBKKD-UHFFFAOYSA-N -1 0 342.439 3.762 20 0 EHADRM Cc1ccc2c(c1)N[C@H](c1ccc(-c3ccc(C(=O)[O-])cc3)o1)NC2=O ZINC001119306091 982976040 /nfs/dbraw/zinc/97/60/40/982976040.db2.gz VQRBPHDDYBXJIZ-SFHVURJKSA-N -1 0 348.358 3.807 20 0 EHADRM CCCNc1ccccc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC001595936977 983081512 /nfs/dbraw/zinc/08/15/12/983081512.db2.gz SRAKJTPKTOYXHT-UHFFFAOYSA-N -1 0 326.396 3.778 20 0 EHADRM CCCOc1cc(C)ccc1NC(=O)N1CCC(CC(=O)[O-])CC1 ZINC001595949873 983117945 /nfs/dbraw/zinc/11/79/45/983117945.db2.gz CNLIJIIAPVGNFN-UHFFFAOYSA-N -1 0 334.416 3.502 20 0 EHADRM CCCOc1cc(C)ccc1NC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001595950736 983122313 /nfs/dbraw/zinc/12/23/13/983122313.db2.gz XGJBLYIREAVNGJ-ALCCZGGFSA-N -1 0 329.352 3.727 20 0 EHADRM CCCOc1ccccc1NC(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001595970331 983195640 /nfs/dbraw/zinc/19/56/40/983195640.db2.gz YGLUCOHGAZZKTP-UHFFFAOYSA-N -1 0 344.367 3.826 20 0 EHADRM CCC[C@@H]1C[C@H]1C(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001596007699 983262946 /nfs/dbraw/zinc/26/29/46/983262946.db2.gz JJVPZEIJBNHWLG-MRVWCRGKSA-N -1 0 343.345 3.774 20 0 EHADRM CCCc1c(C(=O)OCc2csc(C3CC3)n2)[nH]c(C)c1C(=O)[O-] ZINC001596048717 983346154 /nfs/dbraw/zinc/34/61/54/983346154.db2.gz RYYMKMKNEOWFHW-UHFFFAOYSA-N -1 0 348.424 3.665 20 0 EHADRM CCCc1c(NCc2c[nH]c(C(=O)[O-])c2)cnn1-c1ccc(F)cc1 ZINC001596051478 983351390 /nfs/dbraw/zinc/35/13/90/983351390.db2.gz VLHWNIVJSLLIIE-UHFFFAOYSA-N -1 0 342.374 3.602 20 0 EHADRM CCCc1ccc(C(=O)N2c3ccccc3C[C@H](C)[C@@H]2C(=O)[O-])cc1 ZINC001596060548 983368622 /nfs/dbraw/zinc/36/86/22/983368622.db2.gz IVNJSEHZNYXGQR-IFXJQAMLSA-N -1 0 337.419 3.931 20 0 EHADRM CCCc1ccc(C(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)s1 ZINC001596060583 983369341 /nfs/dbraw/zinc/36/93/41/983369341.db2.gz LUDVKAIVPITTEQ-INIZCTEOSA-N -1 0 331.437 3.873 20 0 EHADRM CCN(C(=O)/C=C/c1cc(C)c(C)cc1C)c1ncc(C(=O)[O-])s1 ZINC001596137444 983486175 /nfs/dbraw/zinc/48/61/75/983486175.db2.gz KVEOGNOXAJZJFM-VOTSOKGWSA-N -1 0 344.436 3.833 20 0 EHADRM CCN(C(=O)CCc1ncc(C(C)(C)C)o1)c1ccccc1C(=O)[O-] ZINC001596140067 983492769 /nfs/dbraw/zinc/49/27/69/983492769.db2.gz PXCOIIBUINAOFD-UHFFFAOYSA-N -1 0 344.411 3.656 20 0 EHADRM CCN(C(=O)Nc1ccsc1C(=O)[O-])[C@H](C)Cc1ccsc1 ZINC001596158347 983520845 /nfs/dbraw/zinc/52/08/45/983520845.db2.gz OJYYDSZHGIOBLK-SNVBAGLBSA-N -1 0 338.454 3.993 20 0 EHADRM CCN(C(=O)c1cc(C)c(C(=O)[O-])o1)C12CC3CC(CC(C3)C1)C2 ZINC001596164059 983526102 /nfs/dbraw/zinc/52/61/02/983526102.db2.gz BKYDXJPKDPSXMX-UHFFFAOYSA-N -1 0 331.412 3.717 20 0 EHADRM CCN(C(=O)c1ccnc(-c2ccco2)c1)c1ccccc1C(=O)[O-] ZINC001596170366 983535050 /nfs/dbraw/zinc/53/50/50/983535050.db2.gz CWNIWCZTNHRLES-UHFFFAOYSA-N -1 0 336.347 3.707 20 0 EHADRM CCN(CC)c1ccc(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC001596289451 983709532 /nfs/dbraw/zinc/70/95/32/983709532.db2.gz INSMVNDVVICZCR-LBPRGKRZSA-N -1 0 331.368 3.742 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001596364734 983853217 /nfs/dbraw/zinc/85/32/17/983853217.db2.gz BCEDMXOBOYULQQ-XBXARRHUSA-N -1 0 339.800 3.755 20 0 EHADRM CCN(Cc1ccccc1C)C(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001596371826 983873963 /nfs/dbraw/zinc/87/39/63/983873963.db2.gz OMSYLBFALKJTDP-WIYYLYMNSA-N -1 0 337.419 3.602 20 0 EHADRM CCN(Cc1ccoc1C(=O)[O-])Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001596378686 983898459 /nfs/dbraw/zinc/89/84/59/983898459.db2.gz ZHRUCOYUMKBMMY-NSHDSACASA-N -1 0 334.441 3.581 20 0 EHADRM CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccc(/C=C\C(=O)[O-])o1 ZINC001596395041 983932258 /nfs/dbraw/zinc/93/22/58/983932258.db2.gz RVGFCKQGXRAQAY-SBSDFTTDSA-N -1 0 346.770 3.617 20 0 EHADRM CCNC(=O)Nc1ccc(C)c(NCc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001596473402 984200813 /nfs/dbraw/zinc/20/08/13/984200813.db2.gz PUIHJXLNUXXMQT-UHFFFAOYSA-N -1 0 341.411 3.755 20 0 EHADRM C=Cc1ccc(CCNC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC001588922243 984582051 /nfs/dbraw/zinc/58/20/51/984582051.db2.gz YUSJCFLRXCYYAS-UHFFFAOYSA-N -1 0 329.783 3.654 20 0 EHADRM C/C(=C/C(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1)c1cccs1 ZINC001588939660 984630768 /nfs/dbraw/zinc/63/07/68/984630768.db2.gz RDPAAVGNHINPRI-VSKPTYQZSA-N -1 0 329.421 3.792 20 0 EHADRM C/C(=C/C(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1)C1CC1 ZINC001588946510 984657400 /nfs/dbraw/zinc/65/74/00/984657400.db2.gz RKVDLBDLJRUXNP-XFFZJAGNSA-N -1 0 342.420 3.727 20 0 EHADRM C[C@H](CC1CCCCC1)NC(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001599891901 984704542 /nfs/dbraw/zinc/70/45/42/984704542.db2.gz WXCSGOYHPWLOFI-CQSZACIVSA-N -1 0 344.455 3.811 20 0 EHADRM C/C(=C\C1CCC(C)CC1)C(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001588956579 984706739 /nfs/dbraw/zinc/70/67/39/984706739.db2.gz UMAFGVVCYICVJW-UKTHLTGXSA-N -1 0 333.403 3.913 20 0 EHADRM C[C@H](Nc1cnc(C(=O)[O-])cn1)c1cccc(OCc2ccccc2)c1 ZINC001599902591 984866934 /nfs/dbraw/zinc/86/69/34/984866934.db2.gz IADOOICDNUYJOG-AWEZNQCLSA-N -1 0 349.390 3.927 20 0 EHADRM C[C@H](OC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1cc(Cl)ccc1F ZINC001599904034 984899434 /nfs/dbraw/zinc/89/94/34/984899434.db2.gz YOSLWTIFNUJUPK-DCAQKATOSA-N -1 0 328.767 3.974 20 0 EHADRM C[C@H](OC(=O)c1cc(C(=O)[O-])co1)c1ccccc1Br ZINC001599904219 984901543 /nfs/dbraw/zinc/90/15/43/984901543.db2.gz OKGCYEUZJBTJBE-QMMMGPOBSA-N -1 0 339.141 3.658 20 0 EHADRM C[C@H](OC(=O)COc1ccc2c(c1)CCC2)c1ccc(C(=O)[O-])cc1 ZINC001599904292 984903315 /nfs/dbraw/zinc/90/33/15/984903315.db2.gz BWWWNMHUKHOCLL-ZDUSSCGKSA-N -1 0 340.375 3.557 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC001599906136 984925013 /nfs/dbraw/zinc/92/50/13/984925013.db2.gz RNFFWDQJMNRGNP-GFCCVEGCSA-N -1 0 335.831 3.895 20 0 EHADRM C/C(=C\c1c(Cl)cccc1Cl)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC001588995633 984926364 /nfs/dbraw/zinc/92/63/64/984926364.db2.gz ODMCPKRVOOKIJW-TTZKWOQHSA-N -1 0 330.211 3.576 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC001588999031 984936528 /nfs/dbraw/zinc/93/65/28/984936528.db2.gz QVCODFJXDJDQRY-GKUQOKNUSA-N -1 0 345.345 3.619 20 0 EHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)NCc1ccccc1CC(=O)[O-] ZINC001588999458 984937991 /nfs/dbraw/zinc/93/79/91/984937991.db2.gz VLFBKXJHNBKYLF-RAXLEYEMSA-N -1 0 343.810 3.687 20 0 EHADRM C/C(=C/c1ccncc1)C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001589010783 984983182 /nfs/dbraw/zinc/98/31/82/984983182.db2.gz IEJPKROKIHZKMP-QBFSEMIESA-N -1 0 342.420 3.690 20 0 EHADRM C[C@H]1CN(C(=O)NCC2CC(C)(C)CC(C)(C)C2)CC[C@H]1C(=O)[O-] ZINC001599918762 985098616 /nfs/dbraw/zinc/09/86/16/985098616.db2.gz AKUKQLVWQWXGOG-DZGCQCFKSA-N -1 0 338.492 3.591 20 0 EHADRM CCO[C@@H](CC(=O)N(c1ccccc1C(=O)[O-])C1CCC1)C(C)C ZINC001596774356 985201073 /nfs/dbraw/zinc/20/10/73/985201073.db2.gz FDZJMSGHEDKIDG-KRWDZBQOSA-N -1 0 333.428 3.722 20 0 EHADRM CCO[C@@H](c1noc(C23CCC(C(=O)[O-])(CC2)C3)n1)C1CCCC1 ZINC001596791910 985279525 /nfs/dbraw/zinc/27/95/25/985279525.db2.gz WTTJCXNIIFZIRN-NLNFPOJYSA-N -1 0 334.416 3.624 20 0 EHADRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)CCCc1c[nH]c2ccccc12 ZINC000263459231 1125492451 /nfs/dbraw/zinc/49/24/51/1125492451.db2.gz PQWUDSVICNFHBI-AEFFLSMTSA-N -1 0 342.439 3.640 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)C[C@@H](C)S1 ZINC001594477069 985497430 /nfs/dbraw/zinc/49/74/30/985497430.db2.gz DOHWTOLYWFLKPD-HTQZYQBOSA-N -1 0 346.811 3.535 20 0 EHADRM Cc1[nH]c(C(=O)[C@@H](C)Sc2nc(C(C)C)c[nH]2)c(C)c1C(=O)[O-] ZINC001599949236 985579679 /nfs/dbraw/zinc/57/96/79/985579679.db2.gz WIWIXIPCSIWJHC-SNVBAGLBSA-N -1 0 335.429 3.540 20 0 EHADRM Cc1[nH]c(C(=O)[C@@H](C)SCCOc2ccccc2)c(C)c1C(=O)[O-] ZINC001599949271 985580932 /nfs/dbraw/zinc/58/09/32/985580932.db2.gz XNDJAALRFNQXDF-CYBMUJFWSA-N -1 0 347.436 3.713 20 0 EHADRM Cc1[nH]c(C(=O)NCc2ccc(C3CCC3)cc2)c(C)c1C(=O)[O-] ZINC001599951966 985623502 /nfs/dbraw/zinc/62/35/02/985623502.db2.gz DHQVXZUZXMHITQ-UHFFFAOYSA-N -1 0 326.396 3.527 20 0 EHADRM CC(=O)Nc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1C ZINC001589205434 985668321 /nfs/dbraw/zinc/66/83/21/985668321.db2.gz KZKWMMGTUIWVOE-UHFFFAOYSA-N -1 0 346.770 3.557 20 0 EHADRM CC(=O)OCCCS[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001589228353 985761080 /nfs/dbraw/zinc/76/10/80/985761080.db2.gz FMEUOEZAEQXGLR-LBPRGKRZSA-N -1 0 337.224 3.806 20 0 EHADRM CC(=O)OCCCc1cccc(NCc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001589230468 985774238 /nfs/dbraw/zinc/77/42/38/985774238.db2.gz SQGOTEDIOWFOLX-UHFFFAOYSA-N -1 0 341.407 3.801 20 0 EHADRM Cc1[nH]c2c(cccc2C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])c1C ZINC001599965041 985886900 /nfs/dbraw/zinc/88/69/00/985886900.db2.gz LFICNPPIELBGJM-OAHLLOKOSA-N -1 0 342.439 3.796 20 0 EHADRM Cc1[nH]c2ccccc2c1CC(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC001599965410 985894385 /nfs/dbraw/zinc/89/43/85/985894385.db2.gz KHDUDNRGWSCTEO-GOSISDBHSA-N -1 0 341.338 3.527 20 0 EHADRM CC(=O)c1cc(C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)ccc1C ZINC001589261546 985923096 /nfs/dbraw/zinc/92/30/96/985923096.db2.gz KYNKFCXLUFNLLD-UHFFFAOYSA-N -1 0 336.347 3.629 20 0 EHADRM CC(=O)c1cc(C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)ccc1C ZINC001589267595 985948212 /nfs/dbraw/zinc/94/82/12/985948212.db2.gz FKTBWZSGVRQVEZ-LBPRGKRZSA-N -1 0 330.336 3.715 20 0 EHADRM Cc1[nH]nc(NC(=O)CC(C)(C)CC(=O)[O-])c1-c1cccc(Cl)c1 ZINC001599968598 985961058 /nfs/dbraw/zinc/96/10/58/985961058.db2.gz HCMVMEJJXTZECZ-UHFFFAOYSA-N -1 0 349.818 3.868 20 0 EHADRM CC(=O)c1cccc(COc2cc(Br)cc(C(=O)[O-])c2)c1 ZINC001589309512 986079744 /nfs/dbraw/zinc/07/97/44/986079744.db2.gz OLRCFTYIWFABJE-UHFFFAOYSA-N -1 0 349.180 3.929 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC001599976168 986093864 /nfs/dbraw/zinc/09/38/64/986093864.db2.gz PAQRKBABUSSUFK-TVQRCGJNSA-N -1 0 335.400 3.674 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C ZINC001599978461 986128298 /nfs/dbraw/zinc/12/82/98/986128298.db2.gz FKVRFVRJNCXDKU-ZDUSSCGKSA-N -1 0 337.416 3.968 20 0 EHADRM Cc1c2cccc(Cl)c2[nH]c1C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001599981835 986173538 /nfs/dbraw/zinc/17/35/38/986173538.db2.gz ULQDRLZJQRWNFE-UHFFFAOYSA-N -1 0 348.811 3.819 20 0 EHADRM C[C@@H](C(=O)N(C)C1(C(=O)[O-])CCCC1)c1ccc(C(F)(F)F)cc1 ZINC001589338017 986233224 /nfs/dbraw/zinc/23/32/24/986233224.db2.gz XYOMXPVLCVTSFU-LLVKDONJSA-N -1 0 343.345 3.665 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)c1ccccc1F ZINC001597009755 986346533 /nfs/dbraw/zinc/34/65/33/986346533.db2.gz RJWUXNIAPBHLHV-NSHDSACASA-N -1 0 331.343 3.665 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1cccc(Cl)c1F ZINC001597025771 986432200 /nfs/dbraw/zinc/43/22/00/986432200.db2.gz NOVZCDQNKFXEBO-UHFFFAOYSA-N -1 0 337.734 3.828 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(CSC)cc1 ZINC001597025822 986432409 /nfs/dbraw/zinc/43/24/09/986432409.db2.gz OPYYBQNGCYSIDS-UHFFFAOYSA-N -1 0 345.420 3.899 20 0 EHADRM CCOc1cc(C=C(C(=O)[O-])c2ccc3cc[nH]c3n2)ccc1OC ZINC001597033478 986463981 /nfs/dbraw/zinc/46/39/81/986463981.db2.gz XAVGZBJQWVBUNG-UVTDQMKNSA-N -1 0 338.363 3.595 20 0 EHADRM CCOc1cc(/C=C/c2nc(Cl)c(C(=O)[O-])s2)ccc1O ZINC001597034036 986466212 /nfs/dbraw/zinc/46/62/12/986466212.db2.gz SREUILARNFTUDG-GQCTYLIASA-N -1 0 325.773 3.769 20 0 EHADRM CCOc1cc(F)cc(C[N@H+](CCC(=O)[O-])Cc2ccccc2)c1 ZINC001597036993 986480948 /nfs/dbraw/zinc/48/09/48/986480948.db2.gz SEPNUWHVFDCIDJ-UHFFFAOYSA-N -1 0 331.387 3.701 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001597038110 986482869 /nfs/dbraw/zinc/48/28/69/986482869.db2.gz DFURMWIXEBZING-UHFFFAOYSA-N -1 0 333.771 3.998 20 0 EHADRM C[C@H](C(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1)c1cccc(Cl)c1 ZINC001589386814 986489835 /nfs/dbraw/zinc/48/98/35/986489835.db2.gz CATKLSQHBCTIPY-KPZWWZAWSA-N -1 0 337.847 3.983 20 0 EHADRM CCOc1ccc([C@@H](Nc2cncc(C(=O)[O-])n2)c2ccccc2)cc1 ZINC001597074992 986604414 /nfs/dbraw/zinc/60/44/14/986604414.db2.gz XVCLZNBFSHSHGO-IBGZPJMESA-N -1 0 349.390 3.775 20 0 EHADRM CCOc1ccc(C[C@H](C)C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC001597084349 986641611 /nfs/dbraw/zinc/64/16/11/986641611.db2.gz DYHKDNFLTNFCSD-ZDUSSCGKSA-N -1 0 327.380 3.601 20 0 EHADRM C[C@H]1Cc2cccc(C(=O)Nc3cc(Cl)cc(C(=O)[O-])c3)c2O1 ZINC001594619868 986653749 /nfs/dbraw/zinc/65/37/49/986653749.db2.gz ILTJAMZBJXRXJM-VIFPVBQESA-N -1 0 331.755 3.614 20 0 EHADRM C[C@H](C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC001589429780 986713057 /nfs/dbraw/zinc/71/30/57/986713057.db2.gz PTZWLAYDQFEANN-VIFPVBQESA-N -1 0 347.754 3.509 20 0 EHADRM C[C@H](C(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1cn(C)c2ccccc12 ZINC001589431985 986737553 /nfs/dbraw/zinc/73/75/53/986737553.db2.gz VISSHCGXWNYGLM-NSHDSACASA-N -1 0 340.354 3.758 20 0 EHADRM CCOc1ccc(Cl)c(NC(=O)/C=C/c2cc(C(=O)[O-])co2)c1 ZINC001597106237 986745945 /nfs/dbraw/zinc/74/59/45/986745945.db2.gz LCYGJXSROINZPG-GQCTYLIASA-N -1 0 335.743 3.682 20 0 EHADRM C[C@H](C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2)[C@H](C)C(C)(C)C ZINC001589448105 986819477 /nfs/dbraw/zinc/81/94/77/986819477.db2.gz ANKHIHGFDWUSTA-UWVGGRQHSA-N -1 0 339.457 3.776 20 0 EHADRM CCOc1cccc(NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)c1 ZINC001597162246 986972551 /nfs/dbraw/zinc/97/25/51/986972551.db2.gz YJTPFIGIYSWWRN-UHFFFAOYSA-N -1 0 344.367 3.583 20 0 EHADRM CCOc1ccccc1[C@@H](CC(C)C)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001597173554 987018986 /nfs/dbraw/zinc/01/89/86/987018986.db2.gz YAAYGOSGSJNTAP-ZMSDIMECSA-N -1 0 347.455 3.790 20 0 EHADRM CCOc1ccccc1[C@H](CC(C)C)Nc1ccc(C(=O)[O-])nn1 ZINC001597173529 987019146 /nfs/dbraw/zinc/01/91/46/987019146.db2.gz XGWKWMPKBQEYKB-HNNXBMFYSA-N -1 0 329.400 3.773 20 0 EHADRM C/C=C/C[C@@H]1CCCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC001594685175 987052044 /nfs/dbraw/zinc/05/20/44/987052044.db2.gz ANPJYDXYLCZWSJ-KXMPLOMGSA-N -1 0 338.354 3.873 20 0 EHADRM C/C=C\C[C@H]1CCCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC001594685181 987052097 /nfs/dbraw/zinc/05/20/97/987052097.db2.gz ANPJYDXYLCZWSJ-QUCGXOGASA-N -1 0 338.354 3.873 20 0 EHADRM C/C=C/C[C@@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC001594686084 987060950 /nfs/dbraw/zinc/06/09/50/987060950.db2.gz MRZNZPLEPROYMJ-KXMPLOMGSA-N -1 0 338.354 3.873 20 0 EHADRM C/C=C\C[C@@H]1CCCN(C(=O)Nc2cccc(CCC(=O)[O-])c2)C1 ZINC001594686113 987062096 /nfs/dbraw/zinc/06/20/96/987062096.db2.gz NUZAWAPDMQGGJL-RXYHWBRQSA-N -1 0 330.428 3.914 20 0 EHADRM CC/C(=C\C(=O)NCCc1ccccc1C(=O)[O-])c1ccc(C)cc1 ZINC001594691373 987090610 /nfs/dbraw/zinc/09/06/10/987090610.db2.gz RYYUUTWJEPQVEV-JQIJEIRASA-N -1 0 337.419 3.846 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cc1 ZINC001589510775 987136494 /nfs/dbraw/zinc/13/64/94/987136494.db2.gz WDVATFDVCUBFNS-DJDJZGHBSA-N -1 0 340.423 3.551 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2ccc(-c3cnn(C)c3)cc2)cc1 ZINC001589521504 987166874 /nfs/dbraw/zinc/16/68/74/987166874.db2.gz QKSVOTHRXNSUOJ-ZDUSSCGKSA-N -1 0 349.390 3.528 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2Cc3ccccc3S2)c1 ZINC001589521555 987167092 /nfs/dbraw/zinc/16/70/92/987167092.db2.gz ATZQJMGULPUIBG-BZNIZROVSA-N -1 0 327.405 3.530 20 0 EHADRM CCC(=O)c1cc(C(=O)N[C@]2(C(=O)[O-])CCCC(C)(C)C2)ccc1F ZINC001594717386 987194425 /nfs/dbraw/zinc/19/44/25/987194425.db2.gz DDSJMOPYBCICPN-LJQANCHMSA-N -1 0 349.402 3.572 20 0 EHADRM CCC(=O)c1cc(OC)c(OCc2ccccc2C(=O)[O-])c(OC)c1 ZINC001594717849 987196624 /nfs/dbraw/zinc/19/66/24/987196624.db2.gz LLZKJSGVMGZTSL-UHFFFAOYSA-N -1 0 344.363 3.574 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001589531117 987199723 /nfs/dbraw/zinc/19/97/23/987199723.db2.gz BCERWKWZQKBQAC-BBRMVZONSA-N -1 0 348.443 3.686 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cc3c(cccc3F)[nH]2)c1 ZINC001589531643 987205261 /nfs/dbraw/zinc/20/52/61/987205261.db2.gz IWUVBMNQFSSJAY-SNVBAGLBSA-N -1 0 326.327 3.747 20 0 EHADRM CC[C@@H](C(=O)N(CC(=O)[O-])c1cccc(C)n1)C1CCC(C)CC1 ZINC001594725399 987230794 /nfs/dbraw/zinc/23/07/94/987230794.db2.gz VCEVGVOPQVLZHS-AVVWSFFYSA-N -1 0 332.444 3.660 20 0 EHADRM C[C@@H](C(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F)C1CCC1 ZINC001589539261 987233956 /nfs/dbraw/zinc/23/39/56/987233956.db2.gz BVWBMHPJNXCIBS-RNCFNFMXSA-N -1 0 330.302 3.968 20 0 EHADRM CC[C@H](C(=O)N(CCC(=O)[O-])C(C)C)c1cccc(C(F)(F)F)c1 ZINC001594729065 987239186 /nfs/dbraw/zinc/23/91/86/987239186.db2.gz DEUONVFPCOBHOB-AWEZNQCLSA-N -1 0 345.361 3.911 20 0 EHADRM CCS[C@@H]1CCC[C@@H]1NC(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001597255810 987255661 /nfs/dbraw/zinc/25/56/61/987255661.db2.gz FLIFSWRCLMLMGZ-WDEREUQCSA-N -1 0 342.486 3.859 20 0 EHADRM CCS[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001597258485 987269543 /nfs/dbraw/zinc/26/95/43/987269543.db2.gz NNQUQGYGKRXTQK-XUWVNRHRSA-N -1 0 348.468 3.670 20 0 EHADRM C[C@H](C(=O)OCc1ccccc1C(=O)[O-])c1cn(C)c2ccccc12 ZINC001589547999 987273510 /nfs/dbraw/zinc/27/35/10/987273510.db2.gz WCYXVBIMZRYXLZ-ZDUSSCGKSA-N -1 0 337.375 3.723 20 0 EHADRM CCSc1cc(C(=O)Nc2sc(CC)cc2C(=O)[O-])ccn1 ZINC001597267045 987300090 /nfs/dbraw/zinc/30/00/90/987300090.db2.gz BXQBTHUDQVNDRG-UHFFFAOYSA-N -1 0 336.438 3.768 20 0 EHADRM CCSc1ccc(C(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)cn1 ZINC001597270817 987313203 /nfs/dbraw/zinc/31/32/03/987313203.db2.gz FIRDADIPIYGMHF-UHFFFAOYSA-N -1 0 337.784 3.764 20 0 EHADRM CCSc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC001597272546 987322392 /nfs/dbraw/zinc/32/23/92/987322392.db2.gz KNDLXZMJLGCLIG-UHFFFAOYSA-N -1 0 348.399 3.958 20 0 EHADRM CCSc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC001597273424 987329029 /nfs/dbraw/zinc/32/90/29/987329029.db2.gz UYARTGYVPMIKPZ-INIZCTEOSA-N -1 0 347.411 3.884 20 0 EHADRM CCSc1nnc(S[C@@H](C(=O)[O-])c2ccc(F)cc2)s1 ZINC001597278949 987337997 /nfs/dbraw/zinc/33/79/97/987337997.db2.gz BBYRLQZYFOUHKD-SECBINFHSA-N -1 0 330.431 3.707 20 0 EHADRM CCSc1ccccc1C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001597279062 987339102 /nfs/dbraw/zinc/33/91/02/987339102.db2.gz BDJWTSVJXMDSFW-HNNXBMFYSA-N -1 0 347.411 3.536 20 0 EHADRM CCSc1ccccc1CCNC(=O)c1ccc(C(=O)[O-])s1 ZINC001597279193 987340202 /nfs/dbraw/zinc/34/02/02/987340202.db2.gz GFQVEWYBXNWBKQ-UHFFFAOYSA-N -1 0 335.450 3.531 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)/C=C(\C)C12CC3CC(CC(C3)C1)C2)C(=O)[O-] ZINC001597315313 987438715 /nfs/dbraw/zinc/43/87/15/987438715.db2.gz AGUXJBRFBDIHJV-LITWUQGFSA-N -1 0 333.472 3.765 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)CCCCc1ccc(Cl)cc1)C(=O)[O-] ZINC001597315331 987438823 /nfs/dbraw/zinc/43/88/23/987438823.db2.gz FSLINSDFFDKEQI-LRDDRELGSA-N -1 0 325.836 3.668 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)/C=C/CCc2ccccc2)C1 ZINC001589605848 987451267 /nfs/dbraw/zinc/45/12/67/987451267.db2.gz RLDUPCDVOFWTJN-SDSFWRRZSA-N -1 0 329.440 3.525 20 0 EHADRM CC[C@H](NC(=O)/C=C\c1cccc(-c2ccc(Cl)cc2)c1)C(=O)[O-] ZINC001597330069 987465951 /nfs/dbraw/zinc/46/59/51/987465951.db2.gz GGQSFPPLVCSWRH-KOJMWDNASA-N -1 0 343.810 4.000 20 0 EHADRM CC[C@H](NC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1)c1ccccc1F ZINC001597334186 987468749 /nfs/dbraw/zinc/46/87/49/987468749.db2.gz IKLWKGZZZXQAFF-INIZCTEOSA-N -1 0 348.374 3.718 20 0 EHADRM CC[C@H](N[C@H]1CCC[C@H](CCCC(=O)[O-])C1)C(=O)OC(C)(C)C ZINC001597349276 987483550 /nfs/dbraw/zinc/48/35/50/987483550.db2.gz CBNRHZMXKHPHEV-ILXRZTDVSA-N -1 0 327.465 3.510 20 0 EHADRM CC(C)(C(=O)[O-])N(Cc1ccccc1)C(=O)c1ccc2ccncc2c1 ZINC001589616792 987484786 /nfs/dbraw/zinc/48/47/86/987484786.db2.gz OAHXFAAVWWQHAV-UHFFFAOYSA-N -1 0 348.402 3.740 20 0 EHADRM CC[C@H]1CC[C@H](C(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)CC1 ZINC001597354534 987496253 /nfs/dbraw/zinc/49/62/53/987496253.db2.gz HVWNOUNLCZXLRT-XYPYZODXSA-N -1 0 347.440 3.991 20 0 EHADRM CCc1[nH]c(C(=O)N2CC[C@H](C)c3ccccc32)c(C)c1C(=O)[O-] ZINC001597357971 987511570 /nfs/dbraw/zinc/51/15/70/987511570.db2.gz RGRXVPZVSOIWAZ-NSHDSACASA-N -1 0 326.396 3.738 20 0 EHADRM CCc1[nH]c(C(=O)OCc2nc3ccccc3s2)c(C)c1C(=O)[O-] ZINC001597380336 987572432 /nfs/dbraw/zinc/57/24/32/987572432.db2.gz GLSWTGAAAPKBOW-UHFFFAOYSA-N -1 0 344.392 3.550 20 0 EHADRM CCc1[nH]c(C(=O)N[C@@H]2c3cc(C)ccc3C[C@H]2C)c(C)c1C(=O)[O-] ZINC001597383608 987584848 /nfs/dbraw/zinc/58/48/48/987584848.db2.gz DODYIOYSVQIFEX-DIFFPNOSSA-N -1 0 340.423 3.555 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c1 ZINC001589650291 987598149 /nfs/dbraw/zinc/59/81/49/987598149.db2.gz IWGZQRNTTCUNHE-DDTOSNHZSA-N -1 0 338.350 3.636 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(NC(=O)c2ccc3c(c2)CCC=C3)n1 ZINC001589657022 987626846 /nfs/dbraw/zinc/62/68/46/987626846.db2.gz JOKDAJHTEYXIKY-UHFFFAOYSA-N -1 0 342.420 3.717 20 0 EHADRM CCc1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cnn1C(CC)CC ZINC001597420251 987733381 /nfs/dbraw/zinc/73/33/81/987733381.db2.gz OTGWEHLIYMFGQW-UONOGXRCSA-N -1 0 335.448 3.636 20 0 EHADRM CCc1c(NC(=O)c2ccc(C(=O)[O-])cc2)cnn1-c1ccccc1C ZINC001597420395 987735087 /nfs/dbraw/zinc/73/50/87/987735087.db2.gz ULOFOABCXXRFRL-UHFFFAOYSA-N -1 0 349.390 3.694 20 0 EHADRM CCc1cc(C(=O)Nc2ccc(C)c(C)c2C(=O)[O-])cc(Cl)n1 ZINC001597433477 987776127 /nfs/dbraw/zinc/77/61/27/987776127.db2.gz FYLMPQZMNUZBSY-UHFFFAOYSA-N -1 0 332.787 3.865 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)CCCOc1ccc(Cl)cc1 ZINC001589700424 987791024 /nfs/dbraw/zinc/79/10/24/987791024.db2.gz LFLJEESWPDVIHV-CQSZACIVSA-N -1 0 341.835 3.505 20 0 EHADRM CC(C)(C)C(=O)c1ccsc1NC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001589700510 987792132 /nfs/dbraw/zinc/79/21/32/987792132.db2.gz XZXBXEUXSCIHIV-PLNGDYQASA-N -1 0 347.392 3.920 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)/C=C\c1ccc(F)c2ccccc12 ZINC001589701206 987795174 /nfs/dbraw/zinc/79/51/74/987795174.db2.gz UYVLXQZLOXHDOB-CCCPALQASA-N -1 0 343.398 3.998 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)Nc1cc(-c2ccccc2)ns1 ZINC001589702912 987803951 /nfs/dbraw/zinc/80/39/51/987803951.db2.gz RGNAGAPHQDLAKH-ZDUSSCGKSA-N -1 0 347.440 3.821 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)/C=C/c1ccc(OC)cc1 ZINC001597450284 987839766 /nfs/dbraw/zinc/83/97/66/987839766.db2.gz URYNAKVBVGDKHB-IZZDOVSWSA-N -1 0 325.364 3.608 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)Cc1ccccc1SC ZINC001597452161 987845670 /nfs/dbraw/zinc/84/56/70/987845670.db2.gz MLTBFZSNYMZUPP-UHFFFAOYSA-N -1 0 329.421 3.850 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCC[C@@H]1CC1(Cl)Cl ZINC001597457423 987873944 /nfs/dbraw/zinc/87/39/44/987873944.db2.gz KZUIZTFFQPHLJR-LLVKDONJSA-N -1 0 345.226 3.653 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cc(C=O)sc1Cl ZINC001597464409 987897171 /nfs/dbraw/zinc/89/71/71/987897171.db2.gz JWXJHTLBYSKHGH-UHFFFAOYSA-N -1 0 337.784 3.727 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1scnc1C(F)(F)F ZINC001597464997 987901079 /nfs/dbraw/zinc/90/10/79/987901079.db2.gz CYCLUFOWTLDEOL-UHFFFAOYSA-N -1 0 344.314 3.675 20 0 EHADRM CCc1cc(C)cc(CC)c1NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001597471526 987935472 /nfs/dbraw/zinc/93/54/72/987935472.db2.gz QMLQBYLGGLYPHA-MRXNPFEDSA-N -1 0 344.455 3.838 20 0 EHADRM CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001589729345 987944052 /nfs/dbraw/zinc/94/40/52/987944052.db2.gz XLYWVJJTMLYYMQ-OCCSQVGLSA-N -1 0 344.415 3.597 20 0 EHADRM CS[C@H]1CC[C@@H](N(C)C(=O)Nc2cc(C(=O)[O-])sc2C)C1 ZINC001599788224 987961038 /nfs/dbraw/zinc/96/10/38/987961038.db2.gz QAZOPDYYMSLKFS-ZJUUUORDSA-N -1 0 328.459 3.503 20 0 EHADRM CC(C)(C)[C@@H]1CCCN(C(=O)c2ccccc2CCC(=O)[O-])CC1 ZINC001589732438 987962086 /nfs/dbraw/zinc/96/20/86/987962086.db2.gz LQFQORTXWSOLGX-MRXNPFEDSA-N -1 0 331.456 3.992 20 0 EHADRM CC(C)(C)[C@H]1CCc2sc(C(=O)N[C@H]3CCC[C@H]3C(=O)[O-])cc2C1 ZINC001589734190 987978281 /nfs/dbraw/zinc/97/82/81/987978281.db2.gz DKDXLZNDIQUTDU-MJBXVCDLSA-N -1 0 349.496 3.882 20 0 EHADRM CC(C)(C)[C@@H]1Cc2ccccc2N(C(=O)c2cc(C(=O)[O-])co2)C1 ZINC001589737569 987994734 /nfs/dbraw/zinc/99/47/34/987994734.db2.gz ATSVMSKJVLJDFL-CQSZACIVSA-N -1 0 327.380 3.843 20 0 EHADRM CC(C)(C)[C@H]1Cc2ccccc2N(C(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC001589738297 988001579 /nfs/dbraw/zinc/00/15/79/988001579.db2.gz KUVAJWLWAIYOOW-AWEZNQCLSA-N -1 0 326.396 3.578 20 0 EHADRM CC(C)(C)CC(C)(C)NC(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001589741739 988015859 /nfs/dbraw/zinc/01/58/59/988015859.db2.gz FQJBFSFEBHCGIA-UHFFFAOYSA-N -1 0 327.812 3.770 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)CCCc1ccc2c(c1)CCCC2)C(=O)[O-] ZINC001589743794 988031764 /nfs/dbraw/zinc/03/17/64/988031764.db2.gz XIXCUEZBCSMMTG-GOSISDBHSA-N -1 0 345.483 3.894 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)Cc1cccc(Cl)c1Cl)C(=O)[O-] ZINC001589745428 988038131 /nfs/dbraw/zinc/03/81/31/988038131.db2.gz JAQAGYJTGZUZFV-LLVKDONJSA-N -1 0 332.227 3.542 20 0 EHADRM CC(C)(C)C[C@H](O)CC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001589756590 988065438 /nfs/dbraw/zinc/06/54/38/988065438.db2.gz AUHPIVMHIQRWDM-CQSZACIVSA-N -1 0 329.396 3.664 20 0 EHADRM CCc1ccc(C(=O)Nc2ccc(OC(C)C)cc2C(=O)[O-])cc1 ZINC001597503274 988070663 /nfs/dbraw/zinc/07/06/63/988070663.db2.gz NQXFTUJCCHYUDA-UHFFFAOYSA-N -1 0 327.380 3.987 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])cc1 ZINC001597511807 988093356 /nfs/dbraw/zinc/09/33/56/988093356.db2.gz IQQRSWBWRXPGNG-KDOFPFPSSA-N -1 0 331.456 3.750 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N(Cc2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC001597511945 988095104 /nfs/dbraw/zinc/09/51/04/988095104.db2.gz KWSLFGVUBLAAPF-HZPDHXFCSA-N -1 0 339.435 3.854 20 0 EHADRM CCc1ccc([C@@H](C)NC(=O)CNc2ccc(C(=O)[O-])cc2C)cc1 ZINC001597513103 988105048 /nfs/dbraw/zinc/10/50/48/988105048.db2.gz JRSYIUCEKAGVDQ-CQSZACIVSA-N -1 0 340.423 3.545 20 0 EHADRM CSCCCCCCC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001599797752 988124871 /nfs/dbraw/zinc/12/48/71/988124871.db2.gz YULDTJYTIREPEK-UHFFFAOYSA-N -1 0 338.473 3.703 20 0 EHADRM CC(C)(C)CCN(CCc1ccccc1)C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001589773958 988129932 /nfs/dbraw/zinc/12/99/32/988129932.db2.gz BFMNVVOJGUWTLE-DLBZAZTESA-N -1 0 331.456 3.605 20 0 EHADRM CCc1ccc(CN(C)[C@@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)cc1 ZINC001597526097 988169981 /nfs/dbraw/zinc/16/99/81/988169981.db2.gz KHDHFSJZBYQTKT-AWEZNQCLSA-N -1 0 342.439 3.595 20 0 EHADRM CCc1ccc(NC(=O)[C@@H]2C[C@@]2(F)c2ccccc2)c(C(=O)[O-])c1 ZINC001597542493 988231025 /nfs/dbraw/zinc/23/10/25/988231025.db2.gz DGJDQOMWEAHLTR-HNAYVOBHSA-N -1 0 327.355 3.771 20 0 EHADRM CSc1c(F)cc(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1F ZINC001599805973 988256465 /nfs/dbraw/zinc/25/64/65/988256465.db2.gz FWIGDTYNMIWOFM-HYXAFXHYSA-N -1 0 339.319 3.630 20 0 EHADRM CSc1c(F)cccc1C(=O)N1CCCc2ccc(C(=O)[O-])cc21 ZINC001599805978 988257281 /nfs/dbraw/zinc/25/72/81/988257281.db2.gz GAQFJMDGSXUOHV-UHFFFAOYSA-N -1 0 345.395 3.839 20 0 EHADRM CCc1ccc(NC(=O)c2ccc3c(c2)CCCC3=O)c(C(=O)[O-])c1 ZINC001597550445 988266925 /nfs/dbraw/zinc/26/69/25/988266925.db2.gz BLLZZEFDAKBNLK-UHFFFAOYSA-N -1 0 337.375 3.719 20 0 EHADRM CCc1ccc(NC(=O)N2CCC[C@H]2c2cccn2C)c(C(=O)[O-])c1 ZINC001597548775 988267246 /nfs/dbraw/zinc/26/72/46/988267246.db2.gz ZZLDCNZMXRBDEP-KRWDZBQOSA-N -1 0 341.411 3.655 20 0 EHADRM CCc1ccc(NC(=O)c2ccnc(-c3ccccc3)n2)c(C(=O)[O-])c1 ZINC001597550830 988269289 /nfs/dbraw/zinc/26/92/89/988269289.db2.gz NHBHKTDYCTYAHB-UHFFFAOYSA-N -1 0 347.374 3.657 20 0 EHADRM CSc1cc(C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)ccc1F ZINC001599808013 988287981 /nfs/dbraw/zinc/28/79/81/988287981.db2.gz ZTLRVLYCGDFGKW-AWEZNQCLSA-N -1 0 338.331 3.669 20 0 EHADRM CSc1cc(C)c(C(=O)N2CCCc3ccc(C)c(C(=O)[O-])c32)o1 ZINC001599808387 988293581 /nfs/dbraw/zinc/29/35/81/988293581.db2.gz FSQOWDVRXYQICC-UHFFFAOYSA-N -1 0 345.420 3.910 20 0 EHADRM CSc1ccc(-c2noc(-c3cccc(C(=O)[O-])n3)n2)c(Cl)c1 ZINC001599809463 988308176 /nfs/dbraw/zinc/30/81/76/988308176.db2.gz HGACJWXNJIUXKX-UHFFFAOYSA-N -1 0 347.783 3.872 20 0 EHADRM CSc1cc(SCc2ccccc2C(=O)[O-])nc(SC)n1 ZINC001599809563 988310898 /nfs/dbraw/zinc/31/08/98/988310898.db2.gz KOQNAVVAIDEYFH-UHFFFAOYSA-N -1 0 338.479 3.911 20 0 EHADRM CSc1cc(NC(=O)Nc2cccc(OCC(=O)[O-])c2)ccc1C ZINC001599809919 988316961 /nfs/dbraw/zinc/31/69/61/988316961.db2.gz UDNCOCJEDMXSBO-UHFFFAOYSA-N -1 0 346.408 3.824 20 0 EHADRM CSc1ccc(NC(=O)c2ccc3oc(=O)nc-3[n-]2)cc1Cl ZINC000646894229 1015383027 /nfs/dbraw/zinc/38/30/27/1015383027.db2.gz QBUJXUBSKKUJKL-UHFFFAOYSA-N -1 0 335.772 3.556 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)[C@H]1Cc2cc(C)c(C)cc2O1 ZINC001597573952 988359696 /nfs/dbraw/zinc/35/96/96/988359696.db2.gz WUZXJQXHOUJZMZ-QGZVFWFLSA-N -1 0 339.391 3.506 20 0 EHADRM CCc1cccc(C)c1NC(=O)CNc1cccc(C(=O)[O-])c1Cl ZINC001597578336 988371871 /nfs/dbraw/zinc/37/18/71/988371871.db2.gz AQNCYFGWAYSEMK-UHFFFAOYSA-N -1 0 346.814 3.960 20 0 EHADRM CSc1ccc(Cl)c(NC(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)c1 ZINC001599814699 988401092 /nfs/dbraw/zinc/40/10/92/988401092.db2.gz OELPNSXPXBLYLM-NXEZZACHSA-N -1 0 342.848 3.636 20 0 EHADRM CCc1cccc(NC(=S)Nc2cccc(OCC(=O)[O-])c2)c1 ZINC001597595063 988436962 /nfs/dbraw/zinc/43/69/62/988436962.db2.gz HSNWPSFIMJJYMR-UHFFFAOYSA-N -1 0 330.409 3.521 20 0 EHADRM CSc1ccc(NC(=O)NCC2(C)CC(F)(F)C2)cc1C(=O)[O-] ZINC001599818639 988472927 /nfs/dbraw/zinc/47/29/27/988472927.db2.gz JNCFXHQDWVJHOF-UHFFFAOYSA-N -1 0 344.383 3.664 20 0 EHADRM CCc1ccccc1CC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001597609052 988489912 /nfs/dbraw/zinc/48/99/12/988489912.db2.gz JDLNXZNXDLFDHM-UHFFFAOYSA-N -1 0 335.762 3.921 20 0 EHADRM CSc1ccccc1C(=O)N[C@H](CC(=O)[O-])c1cccc(C)c1 ZINC001599823291 988552480 /nfs/dbraw/zinc/55/24/80/988552480.db2.gz LUOMVLCLMHRJSX-OAHLLOKOSA-N -1 0 329.421 3.663 20 0 EHADRM CSc1cccc(NC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)c1 ZINC001599824463 988573219 /nfs/dbraw/zinc/57/32/19/988573219.db2.gz AOYBJSLAUQDOLY-UHFFFAOYSA-N -1 0 334.372 3.819 20 0 EHADRM CSc1ccccc1NC(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC001599825168 988585722 /nfs/dbraw/zinc/58/57/22/988585722.db2.gz KFTZWYKUXNNCNU-LLVKDONJSA-N -1 0 336.438 3.808 20 0 EHADRM CSc1ccccc1NC(=O)N(C)c1ccc(OCC(=O)[O-])cc1 ZINC001599825100 988585842 /nfs/dbraw/zinc/58/58/42/988585842.db2.gz HJDINRJADZXYFI-UHFFFAOYSA-N -1 0 346.408 3.540 20 0 EHADRM CSc1cccnc1C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001599825627 988593867 /nfs/dbraw/zinc/59/38/67/988593867.db2.gz IVCHDPMZYJYQDH-UHFFFAOYSA-N -1 0 346.408 3.541 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)c1ccccc1 ZINC001599831264 988678422 /nfs/dbraw/zinc/67/84/22/988678422.db2.gz ZLHHYKCIOWEPDY-SNVBAGLBSA-N -1 0 335.306 3.728 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cc(O)c2ccccc2c1 ZINC001599831738 988685395 /nfs/dbraw/zinc/68/53/95/988685395.db2.gz BWMYTRCNJKVVBB-AWEZNQCLSA-N -1 0 349.386 3.661 20 0 EHADRM CCc1nc(C)c([C@@H](C)N(C)Cc2cc(C(=O)[O-])c(C)n2C)s1 ZINC001597657950 988722038 /nfs/dbraw/zinc/72/20/38/988722038.db2.gz QMQJYKMBBJXEFA-GFCCVEGCSA-N -1 0 335.473 3.552 20 0 EHADRM CCc1nc(C)c(CNCc2ccc(-c3ccccc3C(=O)[O-])o2)o1 ZINC001597660753 988727568 /nfs/dbraw/zinc/72/75/68/988727568.db2.gz CLXRWJIZXORZIK-UHFFFAOYSA-N -1 0 340.379 3.793 20 0 EHADRM CCc1nc(C)c(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)o1 ZINC001597661335 988730634 /nfs/dbraw/zinc/73/06/34/988730634.db2.gz MXWHANCFEOOWQO-CQSZACIVSA-N -1 0 343.210 3.768 20 0 EHADRM C[C@@H](NC(=O)Cc1ccc(C(=O)[O-])cc1)c1cc(Cl)ccc1F ZINC001599838251 988779718 /nfs/dbraw/zinc/77/97/18/988779718.db2.gz JSGXIVRAKHSIFC-SNVBAGLBSA-N -1 0 335.762 3.597 20 0 EHADRM CCc1nc(NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)sc1C(=O)[O-] ZINC001597680149 988805008 /nfs/dbraw/zinc/80/50/08/988805008.db2.gz GWQLMCLUUSZBOO-OLZOCXBDSA-N -1 0 344.436 3.782 20 0 EHADRM CCc1ncsc1C(=O)Nc1c2ccc(C)nc2sc1C(=O)[O-] ZINC001597710177 988963522 /nfs/dbraw/zinc/96/35/22/988963522.db2.gz AUEMOPBNXGXATA-UHFFFAOYSA-N -1 0 347.421 3.574 20 0 EHADRM Cc1ccc(NC(=O)NO[C@H]2CCCCO2)cc1NC(=O)C(C)(C)C ZINC000274823004 1015443152 /nfs/dbraw/zinc/44/31/52/1015443152.db2.gz YUPNCTZJIHGXIG-HNNXBMFYSA-N -1 0 349.431 3.559 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1cc(Cl)c(OC)c(OC)c1 ZINC001597767214 989219047 /nfs/dbraw/zinc/21/90/47/989219047.db2.gz HWOFZBZQWICFOH-UHFFFAOYSA-N -1 0 339.775 3.823 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1cc(-c2ccnn2C)ccc1C ZINC001597767691 989224646 /nfs/dbraw/zinc/22/46/46/989224646.db2.gz RSYOTAKLDHMUJE-UHFFFAOYSA-N -1 0 339.395 3.861 20 0 EHADRM C[C@@H]1C[C@@H]([NH2+]Cc2cc(C(=O)[O-])c3n2CCCC3)c2ccccc2O1 ZINC001599871216 989352294 /nfs/dbraw/zinc/35/22/94/989352294.db2.gz SDNGFBJUUHRSDH-CXAGYDPISA-N -1 0 340.423 3.525 20 0 EHADRM CCc1oc(CN[C@@H](c2ccccc2)c2cccnc2)cc1C(=O)[O-] ZINC001597799239 989379479 /nfs/dbraw/zinc/37/94/79/989379479.db2.gz PDHSBZZRENWGDF-IBGZPJMESA-N -1 0 336.391 3.814 20 0 EHADRM CCn1c(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])cc2ccccc21 ZINC001597837418 989528660 /nfs/dbraw/zinc/52/86/60/989528660.db2.gz YJXRIGFEHAOFNB-MRXNPFEDSA-N -1 0 342.439 3.815 20 0 EHADRM CCn1c(C)cc(C(=O)N2CCCCc3cc(C(=O)[O-])ccc32)c1C ZINC001597843232 989549650 /nfs/dbraw/zinc/54/96/50/989549650.db2.gz PNUVGZBLSPZGGN-UHFFFAOYSA-N -1 0 340.423 3.806 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccc(Sc2ccc(C(=O)[O-])nn2)cc1 ZINC001590303184 989729118 /nfs/dbraw/zinc/72/91/18/989729118.db2.gz HJKSHZLHTAGPNR-UHFFFAOYSA-N -1 0 347.396 3.673 20 0 EHADRM CC(C)(C)OCCCC(=O)O[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001590382977 989901614 /nfs/dbraw/zinc/90/16/14/989901614.db2.gz VTJFJSSWZYEYTB-CQSZACIVSA-N -1 0 328.792 3.604 20 0 EHADRM CC(C)(C)OCc1ccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC001590396198 989921280 /nfs/dbraw/zinc/92/12/80/989921280.db2.gz OLMBFVUDUNLNET-HUUCEWRRSA-N -1 0 333.428 3.831 20 0 EHADRM CC(C)(C)Oc1ccc(CNC(=O)c2ccsc2C(=O)[O-])cc1 ZINC001590407805 989937363 /nfs/dbraw/zinc/93/73/63/989937363.db2.gz AYEVWAFVWCIZME-UHFFFAOYSA-N -1 0 333.409 3.554 20 0 EHADRM CC(C)(C)Oc1cccc(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)n1 ZINC001590410134 989952315 /nfs/dbraw/zinc/95/23/15/989952315.db2.gz ZVKNUXUMIPYGJB-UHFFFAOYSA-N -1 0 339.351 3.674 20 0 EHADRM CC(C)(C)Oc1cccc(CNC(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC001590419819 989962005 /nfs/dbraw/zinc/96/20/05/989962005.db2.gz IJZKHVMUYJNTEB-UHFFFAOYSA-N -1 0 345.370 3.631 20 0 EHADRM CC(C)(C)Oc1ccccc1NC(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001590420199 989962884 /nfs/dbraw/zinc/96/28/84/989962884.db2.gz OBOUDWLDETZXKF-SFHVURJKSA-N -1 0 334.416 3.583 20 0 EHADRM CC(C)(C)Sc1cc(C(=O)Oc2ccc(C(=O)[O-])cc2)ccn1 ZINC001590434841 989993445 /nfs/dbraw/zinc/99/34/45/989993445.db2.gz KWBUXEYMYZXARC-UHFFFAOYSA-N -1 0 331.393 3.890 20 0 EHADRM CC(C)(C)c1ccc(C2CCN(C(=O)[C@H]3C[C@@H](C(=O)[O-])C3)CC2)cc1 ZINC001590479456 990052893 /nfs/dbraw/zinc/05/28/93/990052893.db2.gz BCLWDBPZDSUIBO-CALCHBBNSA-N -1 0 343.467 3.801 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(Cl)[nH]2)cc1 ZINC001590480290 990062900 /nfs/dbraw/zinc/06/29/00/990062900.db2.gz NTYDMVDJWXBWQU-AWEZNQCLSA-N -1 0 348.830 3.911 20 0 EHADRM CC(C)(C)c1ccc(C2=N/C(=C/c3ccc(C(=O)[O-])o3)C(=O)O2)cc1 ZINC001590480749 990069759 /nfs/dbraw/zinc/06/97/59/990069759.db2.gz ZXMSNHHNXIJAFZ-GXDHUFHOSA-N -1 0 339.347 3.620 20 0 EHADRM CC(C)(C)c1ccc(CCCCC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cc1 ZINC001590484700 990078977 /nfs/dbraw/zinc/07/89/77/990078977.db2.gz BXQCKXKIMMZSBF-JCNLHEQBSA-N -1 0 331.456 3.676 20 0 EHADRM CC(C)(C)c1ccc(NCc2cc(C(=O)[O-])c3n2CCCC3)cn1 ZINC001590494289 990100835 /nfs/dbraw/zinc/10/08/35/990100835.db2.gz XXIRGCQGBZVNED-UHFFFAOYSA-N -1 0 327.428 3.827 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCN2C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001590500295 990114850 /nfs/dbraw/zinc/11/48/50/990114850.db2.gz GJVRPVIRUZFIGO-UHFFFAOYSA-N -1 0 339.395 3.672 20 0 EHADRM CC(C)(C)c1ccc(SCC(=O)Nc2cccc(C(=O)[O-])n2)cc1 ZINC001590501060 990116504 /nfs/dbraw/zinc/11/65/04/990116504.db2.gz QWBWYCIOXHWORT-UHFFFAOYSA-N -1 0 344.436 3.808 20 0 EHADRM CN(C(=O)[C@@H]1CCc2c1cccc2Cl)C1(C(=O)[O-])CCCCC1 ZINC001598003686 990144503 /nfs/dbraw/zinc/14/45/03/990144503.db2.gz RQDUEDIRIXIIHD-CQSZACIVSA-N -1 0 335.831 3.616 20 0 EHADRM CC(C)(C)c1nc(C[S@](=O)C[C@H]2CCCC[C@H]2C(=O)[O-])cs1 ZINC001590542465 990172843 /nfs/dbraw/zinc/17/28/43/990172843.db2.gz WHEYICVROAYNCL-WBVVSNMSSA-N -1 0 343.514 3.580 20 0 EHADRM CN(C(=O)CCSCc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC001598017469 990195024 /nfs/dbraw/zinc/19/50/24/990195024.db2.gz CQVRQTBTUOOFPU-UHFFFAOYSA-N -1 0 347.411 3.810 20 0 EHADRM CC(C)(C)c1ncc(/C=C\C(=O)NCCCCCCC(=O)[O-])s1 ZINC001590556331 990195953 /nfs/dbraw/zinc/19/59/53/990195953.db2.gz NIOFTLNOCLWFTB-KTKRTIGZSA-N -1 0 338.473 3.605 20 0 EHADRM CC(C)(C)c1ncc(COC(=O)c2ccc(C(=O)[O-])c(F)c2)s1 ZINC001590556601 990197751 /nfs/dbraw/zinc/19/77/51/990197751.db2.gz WLPWWWQOKAZADG-UHFFFAOYSA-N -1 0 337.372 3.635 20 0 EHADRM CC(C)(CC(=O)N1C[C@@H](C(=O)[O-])Cc2ccccc21)CC(F)(F)F ZINC001590616921 990295190 /nfs/dbraw/zinc/29/51/90/990295190.db2.gz VAQBMUBUBUKVHK-LBPRGKRZSA-N -1 0 343.345 3.645 20 0 EHADRM CC(C)(CC(=O)Nc1ncc(C(=O)[O-])c2ccccc21)CC(F)F ZINC001590625654 990309329 /nfs/dbraw/zinc/30/93/29/990309329.db2.gz PJJNSYPVKIMLRA-UHFFFAOYSA-N -1 0 336.338 3.943 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCCc2cc(F)cc(Cl)c21 ZINC001590627831 990317588 /nfs/dbraw/zinc/31/75/88/990317588.db2.gz NGBAJIWPRXNFHK-UHFFFAOYSA-N -1 0 327.783 3.649 20 0 EHADRM CN(C(=O)Nc1ccc(C(=O)[O-])nc1)C1CCC(C(C)(C)C)CC1 ZINC001598057088 990322579 /nfs/dbraw/zinc/32/25/79/990322579.db2.gz NAEQKALHVFPSJP-UHFFFAOYSA-N -1 0 333.432 3.848 20 0 EHADRM CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)c1ccccc1C(=O)[O-] ZINC001598068238 990363818 /nfs/dbraw/zinc/36/38/18/990363818.db2.gz MDDUHBYJKUZSPM-GHMZBOCLSA-N -1 0 335.812 3.866 20 0 EHADRM CN(C(=O)c1ccc(Cl)c2ncccc12)c1ccccc1C(=O)[O-] ZINC001598086092 990417575 /nfs/dbraw/zinc/41/75/75/990417575.db2.gz YAXZKHIQALDDED-UHFFFAOYSA-N -1 0 340.766 3.863 20 0 EHADRM CC(C)(CNC(=O)Cc1cc2c(ccc3ccccc23)o1)CC(=O)[O-] ZINC001590713582 990469157 /nfs/dbraw/zinc/46/91/57/990469157.db2.gz RUQXSEYVIGVEFE-UHFFFAOYSA-N -1 0 339.391 3.746 20 0 EHADRM CC(C)(CNC(=O)N1CCc2cccc(C(=O)[O-])c2C1)C1CCCC1 ZINC001590718538 990493240 /nfs/dbraw/zinc/49/32/40/990493240.db2.gz ZBPKZPICJKPKFX-UHFFFAOYSA-N -1 0 344.455 3.669 20 0 EHADRM CC(C)(CNC(=O)NCC1(Cc2ccccc2)CCCC1)CC(=O)[O-] ZINC001590722080 990495105 /nfs/dbraw/zinc/49/51/05/990495105.db2.gz HNMQLFBZIFAFEB-UHFFFAOYSA-N -1 0 346.471 3.590 20 0 EHADRM CC(C)(CNC(=O)Nc1cccc(CSCC(=O)[O-])c1)C1CC1 ZINC001590738142 990530620 /nfs/dbraw/zinc/53/06/20/990530620.db2.gz BAQZYJOROIHEQH-UHFFFAOYSA-N -1 0 336.457 3.562 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc2nc(C3CC3)sc2c1)CC(=O)[O-] ZINC001590738181 990531616 /nfs/dbraw/zinc/53/16/16/990531616.db2.gz FLRQREPAUHSYEZ-UHFFFAOYSA-N -1 0 347.440 3.796 20 0 EHADRM CC(C)(CNC(=O)c1[nH]c2ccccc2c1CC(=O)[O-])C1CCCC1 ZINC001590743322 990540818 /nfs/dbraw/zinc/54/08/18/990540818.db2.gz HSNHGANXGVDGNR-UHFFFAOYSA-N -1 0 342.439 3.741 20 0 EHADRM CC(C)(CNc1ncc(C(=O)[O-])cc1Cl)c1ccc2c(c1)OCO2 ZINC001590780108 990591908 /nfs/dbraw/zinc/59/19/08/990591908.db2.gz LRICHCUJVXZDBT-UHFFFAOYSA-N -1 0 348.786 3.552 20 0 EHADRM CC(C)(CNc1cncc(C(=O)[O-])n1)c1ccc(C(F)(F)F)cc1 ZINC001590780084 990592089 /nfs/dbraw/zinc/59/20/89/990592089.db2.gz KRHHHNNKGYSQFV-UHFFFAOYSA-N -1 0 339.317 3.583 20 0 EHADRM CC(C)(CNc1ncc(C(=O)[O-])cc1C(F)(F)F)c1ccccn1 ZINC001590780123 990592656 /nfs/dbraw/zinc/59/26/56/990592656.db2.gz MZRJUNGHEUCWDS-UHFFFAOYSA-N -1 0 339.317 3.583 20 0 EHADRM CC(C)(NCc1c(Cl)ccc2cccnc21)c1cc(C(=O)[O-])on1 ZINC001590871520 990778466 /nfs/dbraw/zinc/77/84/66/990778466.db2.gz YIOFATFCZPCKKR-UHFFFAOYSA-N -1 0 345.786 3.599 20 0 EHADRM CC(C)(c1noc([C@@H]2CCC[C@@H](C(=O)[O-])C2)n1)c1cccc(F)c1 ZINC001590908518 990876376 /nfs/dbraw/zinc/87/63/76/990876376.db2.gz FVAOSRNUCMNEMI-VXGBXAGGSA-N -1 0 332.375 3.893 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)N[C@H](CC(=O)[O-])c2cccc(C)c2)C1(C)C ZINC001590915219 990902154 /nfs/dbraw/zinc/90/21/54/990902154.db2.gz QPZXHYKGIKZKCW-JFIYKMOQSA-N -1 0 329.440 3.865 20 0 EHADRM CC(C)=CCC[C@H](C)NC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001590922244 990918419 /nfs/dbraw/zinc/91/84/19/990918419.db2.gz VMUZSGPFTRZMRJ-AWEZNQCLSA-N -1 0 328.412 3.591 20 0 EHADRM CC(C)=CCC[C@@H](C)NC(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001590922448 990919878 /nfs/dbraw/zinc/91/98/78/990919878.db2.gz YWOWFSCADMJUBQ-CQSZACIVSA-N -1 0 330.428 3.587 20 0 EHADRM CC(C)[C@@H](C(=O)NCc1ccccc1C(=O)[O-])c1ccc(F)cc1 ZINC001590957719 991042565 /nfs/dbraw/zinc/04/25/65/991042565.db2.gz PZXOFETZZZVUSY-QGZVFWFLSA-N -1 0 329.371 3.580 20 0 EHADRM CC(C)[C@H](C(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1)c1cccnc1 ZINC001590961803 991062929 /nfs/dbraw/zinc/06/29/29/991062929.db2.gz ZQVXZZSKJTWPNT-KRWDZBQOSA-N -1 0 341.407 3.789 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)NC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001590968360 991089567 /nfs/dbraw/zinc/08/95/67/991089567.db2.gz QJNQPPGUPDHUND-IBGZPJMESA-N -1 0 341.411 3.559 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001599697365 991168718 /nfs/dbraw/zinc/16/87/18/991168718.db2.gz DNIAJSOKRZVZLO-JLTOFOAXSA-N -1 0 347.455 3.729 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)O[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001599699161 991192848 /nfs/dbraw/zinc/19/28/48/991192848.db2.gz VFKPTZWARPNQSL-KGTBHZDVSA-N -1 0 330.336 3.694 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)OC1CCC(CC(=O)[O-])CC1 ZINC001599699378 991195493 /nfs/dbraw/zinc/19/54/93/991195493.db2.gz ZAIKPCZFWGUOKG-NFOMZHRRSA-N -1 0 334.412 3.766 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)C[C@@H]1CCCCC1(C)C ZINC001598291787 991200933 /nfs/dbraw/zinc/20/09/33/991200933.db2.gz AAXAOAGUPWOUDE-AWEZNQCLSA-N -1 0 332.444 3.996 20 0 EHADRM COc1ccccc1[C@]1(C)C[C@H]1Nc1ncc(C(=O)[O-])cc1Cl ZINC001599702312 991238386 /nfs/dbraw/zinc/23/83/86/991238386.db2.gz LNESYLFCUKIYAE-PBHICJAKSA-N -1 0 332.787 3.584 20 0 EHADRM COc1ccccc1CC(=O)Oc1c(C(=O)[O-])ccc2ccccc21 ZINC001599704386 991270408 /nfs/dbraw/zinc/27/04/08/991270408.db2.gz WLNMQSGPHUXCJC-UHFFFAOYSA-N -1 0 336.343 3.695 20 0 EHADRM CC(C)[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2)c1)C(=O)[O-] ZINC001591019163 991302284 /nfs/dbraw/zinc/30/22/84/991302284.db2.gz FXCFZVFHJJHPOD-MRXNPFEDSA-N -1 0 347.798 3.971 20 0 EHADRM CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001591061851 991505186 /nfs/dbraw/zinc/50/51/86/991505186.db2.gz PFSNWBSSWHAJDN-MEBBXXQBSA-N -1 0 340.217 3.768 20 0 EHADRM CC(C)[C@@]1(C)C[C@@H]1NC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001591062496 991508298 /nfs/dbraw/zinc/50/82/98/991508298.db2.gz WNEFORKYFKRFDE-WMLDXEAASA-N -1 0 336.457 3.561 20 0 EHADRM CC(C)C1(C)CCN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)CC1 ZINC001591062627 991510567 /nfs/dbraw/zinc/51/05/67/991510567.db2.gz ZCWWULUCWIKHFZ-UHFFFAOYSA-N -1 0 332.444 3.994 20 0 EHADRM CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)C1 ZINC001591082243 991597143 /nfs/dbraw/zinc/59/71/43/991597143.db2.gz RHBZUDLYYFPUQM-RDTXWAMCSA-N -1 0 344.455 3.667 20 0 EHADRM CC(C)[C@H]1CCC[C@@H](NC(=O)NCc2ccc(C(=O)[O-])cc2F)C1 ZINC001591082762 991600660 /nfs/dbraw/zinc/60/06/60/991600660.db2.gz XNDRCZTWZBGIAC-SWLSCSKDSA-N -1 0 336.407 3.538 20 0 EHADRM CC(C)[C@@H]1CCCN1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001591087915 991613853 /nfs/dbraw/zinc/61/38/53/991613853.db2.gz UWYXPWUAYMXOOE-INIZCTEOSA-N -1 0 345.443 3.637 20 0 EHADRM CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001591093401 991659285 /nfs/dbraw/zinc/65/92/85/991659285.db2.gz SFZKNTMXAVDEHI-DNVCBOLYSA-N -1 0 342.439 3.548 20 0 EHADRM COc1nc(C)cc(C)c1CN(C)[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001599729089 991679782 /nfs/dbraw/zinc/67/97/82/991679782.db2.gz GHYKEXXEECKZJM-MRXNPFEDSA-N -1 0 348.830 3.618 20 0 EHADRM CC(C)[C@H]1CN(C(=O)CC2(CC(=O)[O-])CCCC2)c2ccccc2N1 ZINC001591095509 991681313 /nfs/dbraw/zinc/68/13/13/991681313.db2.gz WMTDSTJMKCRMAJ-MRXNPFEDSA-N -1 0 344.455 3.895 20 0 EHADRM CC(C)[C@H]1CN(c2cc(C(F)(F)F)c(C(=O)[O-])cn2)[C@H]1C(C)C ZINC001591096184 991685481 /nfs/dbraw/zinc/68/54/81/991685481.db2.gz BMCDIYGBFUAITE-RISCZKNCSA-N -1 0 330.350 3.915 20 0 EHADRM Cc1c(Cl)cc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1Cl ZINC000608340421 1033645015 /nfs/dbraw/zinc/64/50/15/1033645015.db2.gz UGXCFMQBTALCLG-MNOVXSKESA-N -1 0 328.195 3.907 20 0 EHADRM CN(CC(F)(F)F)C(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001598429853 991788145 /nfs/dbraw/zinc/78/81/45/991788145.db2.gz NNLVAVCRPTVQCX-UHFFFAOYSA-N -1 0 332.303 3.626 20 0 EHADRM CC(C)C[C@H](C)OC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001591137451 991842156 /nfs/dbraw/zinc/84/21/56/991842156.db2.gz BCYFFWKMIOPYPR-TVQRCGJNSA-N -1 0 331.771 3.766 20 0 EHADRM COc1nsc(CNc2ccc(Cl)c(SC)c2)c1C(=O)[O-] ZINC001599741073 991857120 /nfs/dbraw/zinc/85/71/20/991857120.db2.gz CBRCGNWLGOKMRH-UHFFFAOYSA-N -1 0 344.845 3.837 20 0 EHADRM CC(C)C[C@H](C)OC(=O)N(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001591138496 991859177 /nfs/dbraw/zinc/85/91/77/991859177.db2.gz ZMJMZENWKGKNRH-LKFCYVNXSA-N -1 0 347.333 3.733 20 0 EHADRM CC(C)C[C@@H](C)n1nccc1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC001591138629 991859341 /nfs/dbraw/zinc/85/93/41/991859341.db2.gz PIJRICAFFHZWKH-LLVKDONJSA-N -1 0 333.363 3.580 20 0 EHADRM COc1nsc(CNc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1Cl ZINC001599741353 991861921 /nfs/dbraw/zinc/86/19/21/991861921.db2.gz FTEWXWJJWPVXCQ-SECBINFHSA-N -1 0 340.832 3.680 20 0 EHADRM CC(C)CC(CC(C)C)C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001591142372 991864220 /nfs/dbraw/zinc/86/42/20/991864220.db2.gz BCTBXCJDCSSTOT-KRWDZBQOSA-N -1 0 337.435 3.819 20 0 EHADRM CC(C)C[C@@H](CNC(=O)c1ccccc1NC1CCCCC1)C(=O)[O-] ZINC001591156163 991900854 /nfs/dbraw/zinc/90/08/54/991900854.db2.gz MDVYKHSYQPITSV-HNNXBMFYSA-N -1 0 346.471 3.908 20 0 EHADRM CN(C[C@H]1CC=CCC1)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001598453426 991913986 /nfs/dbraw/zinc/91/39/86/991913986.db2.gz IWWLNEMGDRPREH-JTQLQIEISA-N -1 0 340.782 3.997 20 0 EHADRM CC(C)C[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccn1)c1ccccc1 ZINC001591178147 991974316 /nfs/dbraw/zinc/97/43/16/991974316.db2.gz NPJFSAWIVNSMNN-OAHLLOKOSA-N -1 0 327.384 3.689 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC001591178704 991977431 /nfs/dbraw/zinc/97/74/31/991977431.db2.gz UEVVJYVECXEHBJ-GOSISDBHSA-N -1 0 341.407 3.667 20 0 EHADRM CC(C)C[C@]1(C)CCCN1C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001591191997 992006341 /nfs/dbraw/zinc/00/63/41/992006341.db2.gz KAUHRNNNATUXAH-SFHVURJKSA-N -1 0 344.415 3.694 20 0 EHADRM CC(C)CC1(C)CCN(C(=O)Nc2ccc(OCC(=O)[O-])cc2)CC1 ZINC001591196445 992011098 /nfs/dbraw/zinc/01/10/98/992011098.db2.gz ALRJSTWKJAPMBW-UHFFFAOYSA-N -1 0 348.443 3.830 20 0 EHADRM CC(C)C[C@H]1OCCC[C@@H]1Nc1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001591211337 992056552 /nfs/dbraw/zinc/05/65/52/992056552.db2.gz BMGDUITVYSOTNQ-QWHCGFSZSA-N -1 0 346.349 3.804 20 0 EHADRM CC(C)CCC[C@@H](C)N(CCC(C)C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001591228755 992106922 /nfs/dbraw/zinc/10/69/22/992106922.db2.gz JBQLILGBVBEYEO-ZACQAIPSSA-N -1 0 341.492 3.708 20 0 EHADRM CC(C)CCCCCC(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2 ZINC001591236558 992118660 /nfs/dbraw/zinc/11/86/60/992118660.db2.gz KQXIMJPUPCNPIL-LBPRGKRZSA-N -1 0 338.473 3.878 20 0 EHADRM CC(C)CCO[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC001591251544 992148303 /nfs/dbraw/zinc/14/83/03/992148303.db2.gz LHYLAMVANJGKCI-RDTXWAMCSA-N -1 0 343.423 3.533 20 0 EHADRM CC(C)CCOc1ccccc1NC(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001591266163 992177483 /nfs/dbraw/zinc/17/74/83/992177483.db2.gz WMCZQVYPYQUCDJ-LIRRHRJNSA-N -1 0 348.443 3.686 20 0 EHADRM CC(C)CN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)C(C)(C)C(=O)[O-] ZINC001591281386 992214712 /nfs/dbraw/zinc/21/47/12/992214712.db2.gz NDSXXACTSWIXPB-NEPJUHHUSA-N -1 0 337.382 3.703 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])c1cc(-c2ccccc2)ncn1 ZINC001591314447 992281263 /nfs/dbraw/zinc/28/12/63/992281263.db2.gz SFQONILMNMLAGW-UHFFFAOYSA-N -1 0 327.428 3.717 20 0 EHADRM CC(C)CN(Cc1ccc(F)c(Cl)c1)C(=O)[C@H](C)CC(=O)[O-] ZINC001591343337 992325480 /nfs/dbraw/zinc/32/54/80/992325480.db2.gz WVFZBQGLOCCHNH-LLVKDONJSA-N -1 0 329.799 3.575 20 0 EHADRM CC(C)CN(Cc1ccccn1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001591343941 992327022 /nfs/dbraw/zinc/32/70/22/992327022.db2.gz JGGMESZOQGVASY-UHFFFAOYSA-N -1 0 345.374 3.609 20 0 EHADRM CS[C@@H](C(=O)Nc1sc2c(c1C(=O)[O-])CCC2)c1ccccc1 ZINC001599781686 992373220 /nfs/dbraw/zinc/37/32/20/992373220.db2.gz WJZXIRBLQYCCQT-CQSZACIVSA-N -1 0 347.461 3.978 20 0 EHADRM CC(C)CSCCCNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001591416382 992497755 /nfs/dbraw/zinc/49/77/55/992497755.db2.gz XZVVXADCUQCBCE-UHFFFAOYSA-N -1 0 344.864 3.939 20 0 EHADRM CN(Cc1c(F)c(F)c(F)c(F)c1F)c1ccccc1C(=O)[O-] ZINC001598505847 992502163 /nfs/dbraw/zinc/50/21/63/992502163.db2.gz OTYUDTPVPHRVNS-UHFFFAOYSA-N -1 0 331.240 3.717 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC001598511503 992571802 /nfs/dbraw/zinc/57/18/02/992571802.db2.gz QOMKAYQFSLDTNX-BPQIPLTHSA-N -1 0 344.455 3.885 20 0 EHADRM CC(C)Cc1ccc(C[S@](=O)[C@H](C)c2nc(C(=O)[O-])co2)cc1 ZINC001591483290 992601040 /nfs/dbraw/zinc/60/10/40/992601040.db2.gz FAZFHMDBJQHRRT-SPSFWMDKSA-N -1 0 335.425 3.581 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)N2CCC(CC(=O)[O-])CC2)c1 ZINC001591488189 992615060 /nfs/dbraw/zinc/61/50/60/992615060.db2.gz AENHHYCERKRRJR-OAHLLOKOSA-N -1 0 331.456 3.702 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c1 ZINC001591489806 992621374 /nfs/dbraw/zinc/62/13/74/992621374.db2.gz YALKDJKJNLBAGL-FPDPHYFHSA-N -1 0 343.467 3.844 20 0 EHADRM CC(C)N(C(=O)/C=C/c1ccc(C(=O)[O-])o1)[C@@H](C)c1ccccc1 ZINC001591539089 992719420 /nfs/dbraw/zinc/71/94/20/992719420.db2.gz UQSPCLOJUBXOFJ-WONIAPNHSA-N -1 0 327.380 3.989 20 0 EHADRM CN(Cc1ccccc1)c1ccc(NC(=O)c2ccc(C(=O)[O-])[nH]2)cc1 ZINC001598529541 992762229 /nfs/dbraw/zinc/76/22/29/992762229.db2.gz FJTXXXQGUSKCJO-UHFFFAOYSA-N -1 0 349.390 3.602 20 0 EHADRM CC(C)N(CCc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001591595475 992819344 /nfs/dbraw/zinc/81/93/44/992819344.db2.gz ROGCBDDPLLRFLT-UHFFFAOYSA-N -1 0 326.396 3.870 20 0 EHADRM CC(C)N(Cc1cccc(Cl)c1)C(=O)NCC(C)(C)CC(=O)[O-] ZINC001591600365 992830995 /nfs/dbraw/zinc/83/09/95/992830995.db2.gz MMDWXUABHVNUDK-UHFFFAOYSA-N -1 0 340.851 3.761 20 0 EHADRM CC(C)N(Cc1cccc(F)c1)C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001591600741 992832257 /nfs/dbraw/zinc/83/22/57/992832257.db2.gz UJSIGDGBLOYOBT-VOTSOKGWSA-N -1 0 331.343 3.567 20 0 EHADRM CN(Cc1csc(C(=O)[O-])c1)c1cccc(OC(F)(F)F)c1 ZINC001598536510 992846502 /nfs/dbraw/zinc/84/65/02/992846502.db2.gz ZLALPWGSLAKTES-UHFFFAOYSA-N -1 0 331.315 3.981 20 0 EHADRM C[C@H](NC(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1)C1CCCCC1 ZINC001593071487 993624977 /nfs/dbraw/zinc/62/49/77/993624977.db2.gz YFFVCDWZYJKIGN-LBPRGKRZSA-N -1 0 348.418 3.560 20 0 EHADRM COc1ccc(NC(=O)Cc2c(C)cccc2Cl)c(C(=O)[O-])c1 ZINC001599591753 993693181 /nfs/dbraw/zinc/69/31/81/993693181.db2.gz IGBZCAZLSPUOBD-UHFFFAOYSA-N -1 0 333.771 3.536 20 0 EHADRM C[C@@H](NC(=O)NCCCCCCC(=O)[O-])c1cccc(C2CC2)c1 ZINC001593095007 993716150 /nfs/dbraw/zinc/71/61/50/993716150.db2.gz QNNBIFZDCCBEKI-CQSZACIVSA-N -1 0 332.444 3.959 20 0 EHADRM COc1ccc(NC(=O)c2ccc3cc(C)ccc3n2)c(C(=O)[O-])c1 ZINC001599596218 993751745 /nfs/dbraw/zinc/75/17/45/993751745.db2.gz GTOZQGCRTPVDNX-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM COc1ccc(N[C@H]2CCCc3ccc(C(=O)[O-])cc32)cc1OC ZINC001599596879 993759760 /nfs/dbraw/zinc/75/97/60/993759760.db2.gz COUSZYKAIWXTGL-INIZCTEOSA-N -1 0 327.380 3.892 20 0 EHADRM O=C(Nc1cccc2cccnc21)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000339881019 1015808813 /nfs/dbraw/zinc/80/88/13/1015808813.db2.gz NKDDTPWANKVURZ-UHFFFAOYSA-N -1 0 348.337 3.518 20 0 EHADRM O=C(CCc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000046928694 1015811280 /nfs/dbraw/zinc/81/12/80/1015811280.db2.gz GQSGIFNXSNWYFA-UHFFFAOYSA-N -1 0 329.830 3.680 20 0 EHADRM COc1ccc(OC)c2sc(Oc3cccc(C(=O)[O-])c3)nc21 ZINC001599606655 993895221 /nfs/dbraw/zinc/89/52/21/993895221.db2.gz NBEGZNUPMBTQDZ-UHFFFAOYSA-N -1 0 331.349 3.804 20 0 EHADRM COc1ccc(Oc2ccc(NCc3c[nH]c(C(=O)[O-])c3)cn2)cc1 ZINC001599607718 993909417 /nfs/dbraw/zinc/90/94/17/993909417.db2.gz BLESZNKVGBCDMK-UHFFFAOYSA-N -1 0 339.351 3.521 20 0 EHADRM C[C@H](NC(=O)c1cccc(CC(=O)[O-])c1)c1ccc(Cl)c(F)c1 ZINC001593175558 994047021 /nfs/dbraw/zinc/04/70/21/994047021.db2.gz QPYLNYBHSBTDNJ-JTQLQIEISA-N -1 0 335.762 3.597 20 0 EHADRM CC(C)n1cc([C@@H](C)N[C@@H](C(=O)[O-])c2c(F)cccc2Cl)cn1 ZINC001593190947 994129902 /nfs/dbraw/zinc/12/99/02/994129902.db2.gz ZGPCALJZOOFVBX-MEBBXXQBSA-N -1 0 339.798 3.733 20 0 EHADRM C[C@H](NC(C)(C)c1cc(C(=O)[O-])on1)c1nccc2ccccc21 ZINC001593194863 994141626 /nfs/dbraw/zinc/14/16/26/994141626.db2.gz ACHDRWLFRHQKLG-NSHDSACASA-N -1 0 325.368 3.507 20 0 EHADRM COc1ccc2c(c1)C[C@@H](Nc1ccc(CCC(=O)[O-])cc1)CC2 ZINC001599627139 994165036 /nfs/dbraw/zinc/16/50/36/994165036.db2.gz SMTPCIMMVGKOJC-SFHVURJKSA-N -1 0 325.408 3.682 20 0 EHADRM COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)c1ccc(C(=O)[O-])s1 ZINC001599628219 994179155 /nfs/dbraw/zinc/17/91/55/994179155.db2.gz IHCYVXGNBJIEEC-AWEZNQCLSA-N -1 0 345.420 3.605 20 0 EHADRM C[C@@H](N[C@@H](C)c1ncc(C(=O)[O-])s1)c1cc(F)c(F)c(F)c1 ZINC001593203288 994185660 /nfs/dbraw/zinc/18/56/60/994185660.db2.gz DAIUEFPPWXNKNR-RQJHMYQMSA-N -1 0 330.331 3.670 20 0 EHADRM CN=[S@@](C)(=O)c1cccc(NCc2cc(C(=O)[O-])c(C(C)C)[nH]2)c1 ZINC001598633111 994202053 /nfs/dbraw/zinc/20/20/53/994202053.db2.gz MNANCPXOTZIGGZ-DEOSSOPVSA-N -1 0 349.456 3.535 20 0 EHADRM C[C@@H](N[C@@H](C)c1ccc(OC(F)F)cc1)c1ncc(C(=O)[O-])s1 ZINC001593205156 994209326 /nfs/dbraw/zinc/20/93/26/994209326.db2.gz YFCMLQHVOMMOKN-DTWKUNHWSA-N -1 0 342.367 3.855 20 0 EHADRM C[C@H](N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cc(C(=O)[O-])co1 ZINC001593208589 994228303 /nfs/dbraw/zinc/22/83/03/994228303.db2.gz IVHISWZNUKTMBB-XNJJOIOASA-N -1 0 333.359 3.688 20 0 EHADRM COc1ccc2cc(CN(C)Cc3ncc(C(=O)[O-])s3)ccc2c1 ZINC001599634968 994273849 /nfs/dbraw/zinc/27/38/49/994273849.db2.gz IKIMENMNOUEXJH-UHFFFAOYSA-N -1 0 342.420 3.635 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)[C@@H](C)Cc1ccccc1Cl ZINC001599643474 994390488 /nfs/dbraw/zinc/39/04/88/994390488.db2.gz AKRWDFVJHKFDGV-NSHDSACASA-N -1 0 348.782 3.831 20 0 EHADRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)C[C@H]2CCCC[C@H]2C)c1 ZINC001599652479 994527683 /nfs/dbraw/zinc/52/76/83/994527683.db2.gz NLAILODKBHKHGH-SXGZJXTBSA-N -1 0 347.455 3.718 20 0 EHADRM CNC(=O)c1ccc(CNc2cccc3cc(C(=O)[O-])sc32)cc1 ZINC001598657974 994552805 /nfs/dbraw/zinc/55/28/05/994552805.db2.gz OVGOGKCUVNKJKC-UHFFFAOYSA-N -1 0 340.404 3.571 20 0 EHADRM COc1cccc([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)[O-])c1 ZINC001599654660 994559044 /nfs/dbraw/zinc/55/90/44/994559044.db2.gz WPAAVQBIWUTUTN-SNVBAGLBSA-N -1 0 333.771 3.789 20 0 EHADRM C[C@H](NCc1ccc(C(=O)[O-])[nH]1)c1nc(-c2ccccc2)cs1 ZINC001593291754 994670144 /nfs/dbraw/zinc/67/01/44/994670144.db2.gz CCTBMEZUEJAONV-NSHDSACASA-N -1 0 327.409 3.687 20 0 EHADRM C[C@@](NCc1nc2ccccc2s1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593316204 994809509 /nfs/dbraw/zinc/80/95/09/994809509.db2.gz FWUYCXZBFAIIBW-KRWDZBQOSA-N -1 0 330.384 3.525 20 0 EHADRM COc1cccc(CN[C@@H](C(=O)[O-])c2c(F)cccc2Cl)c1C ZINC001599673735 994859634 /nfs/dbraw/zinc/85/96/34/994859634.db2.gz ITZAKMVUMPUEDF-MRXNPFEDSA-N -1 0 337.778 3.712 20 0 EHADRM CNc1ccc(C(=O)NC2(CCC(=O)[O-])CCCCC2)c(Cl)c1 ZINC001598677946 994877469 /nfs/dbraw/zinc/87/74/69/994877469.db2.gz DNEJIPKPZYIQON-UHFFFAOYSA-N -1 0 338.835 3.679 20 0 EHADRM COc1cccc(N(CC(C)C)C(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC001599678000 994930662 /nfs/dbraw/zinc/93/06/62/994930662.db2.gz PPTSWRXENMEGMW-UHFFFAOYSA-N -1 0 345.370 3.835 20 0 EHADRM C[C@@H](N[C@@H](C)c1ccc(F)cc1F)c1ccccc1OCC(=O)[O-] ZINC001593353557 994982320 /nfs/dbraw/zinc/98/23/20/994982320.db2.gz ZZPZWISZAWTUPH-NWDGAFQWSA-N -1 0 335.350 3.840 20 0 EHADRM COC(=O)[C@@H](C)Cc1ccc(NCc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC001598687975 995022745 /nfs/dbraw/zinc/02/27/45/995022745.db2.gz LGAKIWMQHUCBST-AWEZNQCLSA-N -1 0 341.407 3.657 20 0 EHADRM C[C@@H](O)CCc1ccc(OCc2c(Cl)cccc2C(=O)[O-])cc1 ZINC001593447255 995322542 /nfs/dbraw/zinc/32/25/42/995322542.db2.gz RAEXUFDRYUTYKY-GFCCVEGCSA-N -1 0 334.799 3.931 20 0 EHADRM C[C@H](O)c1cc(NCc2ccnc3c(C(=O)[O-])cccc23)ccc1F ZINC001593476837 995410686 /nfs/dbraw/zinc/41/06/86/995410686.db2.gz AUZXWIFBMVDMHI-NSHDSACASA-N -1 0 340.354 3.738 20 0 EHADRM C[C@H](OC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)c1cc(C(=O)[O-])co1 ZINC001593502029 995506802 /nfs/dbraw/zinc/50/68/02/995506802.db2.gz UWPLYZOAPRHFNJ-JMJZKYOTSA-N -1 0 336.290 3.664 20 0 EHADRM C[C@H](OC(=O)c1cc(C(=O)[O-])co1)c1ccc(OC(F)(F)F)cc1 ZINC001593556750 995646140 /nfs/dbraw/zinc/64/61/40/995646140.db2.gz WWJQSUDVGFJXQI-QMMMGPOBSA-N -1 0 344.241 3.794 20 0 EHADRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])cc1F)c1nc2ccccc2o1 ZINC001593573683 995674324 /nfs/dbraw/zinc/67/43/24/995674324.db2.gz AOQCSOXMEZMRLA-SECBINFHSA-N -1 0 329.283 3.583 20 0 EHADRM C[C@@H](OCCCNC(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001593608814 995799025 /nfs/dbraw/zinc/79/90/25/995799025.db2.gz SWKXWPROXHUXKL-CQSZACIVSA-N -1 0 342.395 3.674 20 0 EHADRM C[C@@H](Oc1ccc(CNc2cccc(-c3cnco3)c2)cc1)C(=O)[O-] ZINC001593619453 995861404 /nfs/dbraw/zinc/86/14/04/995861404.db2.gz FMAOSJGYYZQQEH-CYBMUJFWSA-N -1 0 338.363 3.806 20 0 EHADRM C[C@H](Oc1cccc2ccccc21)C(=O)N[C@H](CC(=O)[O-])C(C)(C)C ZINC001593640278 995944568 /nfs/dbraw/zinc/94/45/68/995944568.db2.gz BPBXZGGBRPXLPW-SUMWQHHRSA-N -1 0 343.423 3.613 20 0 EHADRM C[C@H](SCC(=O)Nc1ccccc1C(=O)[O-])c1ccccc1F ZINC001593657145 996030909 /nfs/dbraw/zinc/03/09/09/996030909.db2.gz ZOPKMPBHKJUPMS-NSHDSACASA-N -1 0 333.384 3.957 20 0 EHADRM C[C@H](Sc1ccc(F)cc1)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC001593667055 996054839 /nfs/dbraw/zinc/05/48/39/996054839.db2.gz JJMWIWRCKDMBQZ-NHYWBVRUSA-N -1 0 345.395 3.521 20 0 EHADRM C[C@H](Sc1ccccc1)c1ccc(NC(=O)COCC(=O)[O-])cc1 ZINC001593667166 996056092 /nfs/dbraw/zinc/05/60/92/996056092.db2.gz BSXLRYFWPNOUAX-ZDUSSCGKSA-N -1 0 345.420 3.580 20 0 EHADRM C[C@H](c1ccc(Cl)cc1Cl)N(C)c1nccc(C(=O)[O-])n1 ZINC001593693166 996143149 /nfs/dbraw/zinc/14/31/49/996143149.db2.gz JYPNKRDRXFCTJX-MRVPVSSYSA-N -1 0 326.183 3.679 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001593693262 996143733 /nfs/dbraw/zinc/14/37/33/996143733.db2.gz LNPKUAHNZFMZMA-GFCCVEGCSA-N -1 0 331.799 3.994 20 0 EHADRM C[C@H](c1ccco1)N(C)Cc1oc(Br)cc1C(=O)[O-] ZINC001593719589 996244555 /nfs/dbraw/zinc/24/45/55/996244555.db2.gz PJCKJRCOHIWZHG-MRVPVSSYSA-N -1 0 328.162 3.526 20 0 EHADRM C[C@@H](C(=O)[N-]S(=O)(=O)CCCF)c1c(Cl)cccc1Cl ZINC000080318333 1016018663 /nfs/dbraw/zinc/01/86/63/1016018663.db2.gz HFPUOSLKKMDRNI-MRVPVSSYSA-N -1 0 342.219 3.743 20 0 EHADRM C[C@@H](c1nc2ccccc2o1)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001593734195 996322455 /nfs/dbraw/zinc/32/24/55/996322455.db2.gz RCQICSCFDRNFCM-NSHDSACASA-N -1 0 340.354 3.784 20 0 EHADRM C[C@@]1(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CCOc2ccccc21 ZINC001593760398 996418820 /nfs/dbraw/zinc/41/88/20/996418820.db2.gz VABSHGAEEHPDQT-GOSISDBHSA-N -1 0 345.782 3.717 20 0 EHADRM CC1(C)CC[C@H](NC(=O)N2CCC[C@](C)(C(=O)[O-])C2)c2ccccc21 ZINC001593767774 996450700 /nfs/dbraw/zinc/45/07/00/996450700.db2.gz GNYHYMDBAQYFKW-JXFKEZNVSA-N -1 0 344.455 3.695 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)Nc2ccc(Cl)c3ncccc23)C1 ZINC001593770962 996462411 /nfs/dbraw/zinc/46/24/11/996462411.db2.gz JTUGFUJDHAQXML-KRWDZBQOSA-N -1 0 347.802 3.607 20 0 EHADRM COC(=O)CC(C)(C)C[C@H](C)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001598834223 996467728 /nfs/dbraw/zinc/46/77/28/996467728.db2.gz RADVYTVDVHZHBQ-KBPBESRZSA-N -1 0 335.444 3.730 20 0 EHADRM CC[C@H](C)CS(=O)(=O)[N-][C@H](c1c(F)cccc1F)C(F)(F)F ZINC000180759708 1016039269 /nfs/dbraw/zinc/03/92/69/1016039269.db2.gz CJSYIBDSRSXSGL-QPUJVOFHSA-N -1 0 345.333 3.534 20 0 EHADRM CC1(C(=O)[O-])CN(C(=O)c2ccc(CSc3ccccc3)cc2)C1 ZINC001593804795 996533216 /nfs/dbraw/zinc/53/32/16/996533216.db2.gz ILVNNBSZQHIXPH-UHFFFAOYSA-N -1 0 341.432 3.526 20 0 EHADRM CC1(C)C(C(=O)N[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1(C)C ZINC001593825534 996569479 /nfs/dbraw/zinc/56/94/79/996569479.db2.gz HMDIBCFDPNOGJS-LLVKDONJSA-N -1 0 343.345 3.630 20 0 EHADRM CC1(C)CC(C(=O)N(CCC(F)(F)F)CC(=O)[O-])CC(C)(C)C1 ZINC001593847151 996612931 /nfs/dbraw/zinc/61/29/31/996612931.db2.gz GSEPWJRWHHHSSZ-UHFFFAOYSA-N -1 0 337.382 3.705 20 0 EHADRM CC1(C)CCC(C)(CNC(=O)Nc2ccc(OCC(=O)[O-])cc2)CC1 ZINC001593873838 996685051 /nfs/dbraw/zinc/68/50/51/996685051.db2.gz CPKGNGRFXNNJNC-UHFFFAOYSA-N -1 0 348.443 3.878 20 0 EHADRM CC1(C)CC[C@H](C(=O)Nc2cc(Cl)c(Cl)cc2C(=O)[O-])O1 ZINC001593873971 996686459 /nfs/dbraw/zinc/68/64/59/996686459.db2.gz COFDNCWKGLZCHV-LLVKDONJSA-N -1 0 332.183 3.588 20 0 EHADRM CC1(C)CC[C@@H](CCNc2ncc(C(=O)[O-])cc2C(F)(F)F)OC1 ZINC001593877360 996700467 /nfs/dbraw/zinc/70/04/67/996700467.db2.gz ZCVWTEKNGINFPX-NSHDSACASA-N -1 0 346.349 3.806 20 0 EHADRM CC1(C)CCC[C@H]1C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001593896809 996755289 /nfs/dbraw/zinc/75/52/89/996755289.db2.gz BUIRYWAWUQCSMY-STQMWFEESA-N -1 0 343.345 3.931 20 0 EHADRM CC1(C)CCC[C@@H]1[C@H]1CCN(C(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC001593896953 996756588 /nfs/dbraw/zinc/75/65/88/996756588.db2.gz GLCWRIQNGQZIGJ-DLBZAZTESA-N -1 0 329.440 3.602 20 0 EHADRM CC1(C)CCC[C@H]1NC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001593903227 996771424 /nfs/dbraw/zinc/77/14/24/996771424.db2.gz NDPQDDGXTCEWLT-MRXNPFEDSA-N -1 0 344.411 3.551 20 0 EHADRM COc1ccc(C(=O)N2CCCCc3cc(C(=O)[O-])ccc32)cc1F ZINC001599481413 996780227 /nfs/dbraw/zinc/78/02/27/996780227.db2.gz KYXVLHLRNJJUTF-UHFFFAOYSA-N -1 0 343.354 3.516 20 0 EHADRM CC1(C)CCCC[C@@H]1CC(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001593905048 996784836 /nfs/dbraw/zinc/78/48/36/996784836.db2.gz NCYGKGDKUPRQRA-QGZVFWFLSA-N -1 0 329.440 3.876 20 0 EHADRM CC1(C)CCN(C(=O)c2ccc(/C=C\C(=O)[O-])o2)c2ccccc21 ZINC001593912007 996809078 /nfs/dbraw/zinc/80/90/78/996809078.db2.gz SWIISCCCYHRNJO-NTMALXAHSA-N -1 0 325.364 3.706 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCc1sc(C)nc1C(F)(F)F ZINC001599379516 996809203 /nfs/dbraw/zinc/80/92/03/996809203.db2.gz JBQVUUGLNAVRQH-UHFFFAOYSA-N -1 0 347.314 3.756 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCc1cscc1Br ZINC001599379563 996809988 /nfs/dbraw/zinc/80/99/88/996809988.db2.gz KWYLRHHXENICOC-UHFFFAOYSA-N -1 0 343.198 3.796 20 0 EHADRM COc1ccc(C(=O)Nc2nc(C(C)C)c(C(=O)[O-])s2)c(C)c1 ZINC001599487476 996877513 /nfs/dbraw/zinc/87/75/13/996877513.db2.gz PZYAKESLBYZRNB-UHFFFAOYSA-N -1 0 334.397 3.534 20 0 EHADRM CC1(C)CN(C(=O)CCc2ccc(C(=O)[O-])cc2)[C@H]1c1cccs1 ZINC001593928732 996877736 /nfs/dbraw/zinc/87/77/36/996877736.db2.gz NYQBFFCDRBENKR-KRWDZBQOSA-N -1 0 343.448 3.989 20 0 EHADRM CC1(C)CN(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)CCS1 ZINC001593934915 996904750 /nfs/dbraw/zinc/90/47/50/996904750.db2.gz QDSXXLWFTVKSMU-UHFFFAOYSA-N -1 0 346.811 3.537 20 0 EHADRM COc1ccc(C(=O)[O-])c2c1CN(C(=O)CC1CCCCCC1)CC2 ZINC001599493489 996981733 /nfs/dbraw/zinc/98/17/33/996981733.db2.gz FQHIVNKEEUUUPL-UHFFFAOYSA-N -1 0 345.439 3.639 20 0 EHADRM COCc1cc(NC(=O)N[C@@H](C)CCCC(C)C)cc(C(=O)[O-])c1 ZINC001599286854 996993620 /nfs/dbraw/zinc/99/36/20/996993620.db2.gz XHPGYSZUFXAYCS-ZDUSSCGKSA-N -1 0 336.432 3.868 20 0 EHADRM COCc1cc(NCc2ccc(C(F)(F)F)cn2)cc(C(=O)[O-])c1 ZINC001599290017 997048019 /nfs/dbraw/zinc/04/80/19/997048019.db2.gz XCFBLTCTLODBHH-UHFFFAOYSA-N -1 0 340.301 3.557 20 0 EHADRM COCc1ccc(C(=O)Nc2cccc(SCCC(=O)[O-])c2)cc1 ZINC001599290149 997051353 /nfs/dbraw/zinc/05/13/53/997051353.db2.gz GNRJVDYQGAIVFY-UHFFFAOYSA-N -1 0 345.420 3.652 20 0 EHADRM COc1cc(C)c(NC(=O)c2ccccc2CCC(=O)[O-])cc1C ZINC001599392320 997060380 /nfs/dbraw/zinc/06/03/80/997060380.db2.gz FHFRFTAVBFAKNM-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM COc1cc(C)cc(C(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)c1C ZINC001599392713 997067066 /nfs/dbraw/zinc/06/70/66/997067066.db2.gz ZKDFDOPOAFRROL-UHFFFAOYSA-N -1 0 342.391 3.893 20 0 EHADRM COc1cc(C)ccc1N[C@@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001599395337 997115248 /nfs/dbraw/zinc/11/52/48/997115248.db2.gz YOINEDRUFHTIIY-ZDUSSCGKSA-N -1 0 342.395 3.531 20 0 EHADRM COc1cc(C2(C(=O)Nc3ccc(C(=O)[O-])cc3C)CC2)ccc1C ZINC001599395736 997122755 /nfs/dbraw/zinc/12/27/55/997122755.db2.gz YIBYTMGIWZXWDV-UHFFFAOYSA-N -1 0 339.391 3.681 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)Cc1sc(C)cc1C ZINC001599395846 997124299 /nfs/dbraw/zinc/12/42/99/997124299.db2.gz BIPGMFPLSKCEJF-ALCCZGGFSA-N -1 0 346.404 3.619 20 0 EHADRM COC1(CNC(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)CCCC1 ZINC001599090372 997181092 /nfs/dbraw/zinc/18/10/92/997181092.db2.gz WBTQBDJQAZTPKV-UHFFFAOYSA-N -1 0 342.395 3.619 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OCc1cccc2ncccc12 ZINC001599401198 997217932 /nfs/dbraw/zinc/21/79/32/997217932.db2.gz UNQJVPVZVJSLHN-CSKARUKUSA-N -1 0 335.359 3.920 20 0 EHADRM CC1(C2CC2)CCN(c2ncc(C(=O)[O-])cc2C(F)(F)F)CC1 ZINC001593991558 997253002 /nfs/dbraw/zinc/25/30/02/997253002.db2.gz JTTJPLYUXPHKRW-UHFFFAOYSA-N -1 0 328.334 3.815 20 0 EHADRM C[C@]1(CC(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)CC1(Cl)Cl ZINC001593997987 997319777 /nfs/dbraw/zinc/31/97/77/997319777.db2.gz GYKUBKXICBMONR-LBPRGKRZSA-N -1 0 349.239 3.631 20 0 EHADRM COC[C@@H]1CCCCN1C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001599203286 997356510 /nfs/dbraw/zinc/35/65/10/997356510.db2.gz OXTSKLFTWBLUKT-ZDUSSCGKSA-N -1 0 342.395 3.571 20 0 EHADRM COc1cc(CNC(=O)N[C@H](C)CC2CCCCC2)ccc1C(=O)[O-] ZINC001599410689 997415816 /nfs/dbraw/zinc/41/58/16/997415816.db2.gz CDXYZOBNFKESAM-CYBMUJFWSA-N -1 0 348.443 3.552 20 0 EHADRM COc1cc(CNC(=O)Nc2ccc(C)c(Cl)c2)ccc1C(=O)[O-] ZINC001599412128 997441448 /nfs/dbraw/zinc/44/14/48/997441448.db2.gz JLQKHNWMAUFJHG-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM CO[C@@H]1CCC[C@H]([C@@H](NC(=O)C[C@H](C)CCC=C(C)C)C(=O)[O-])C1 ZINC001599105837 997475456 /nfs/dbraw/zinc/47/54/56/997475456.db2.gz IHDVGDPWJMIXHE-KYHPRHEASA-N -1 0 339.476 3.534 20 0 EHADRM COc1cc(CNC(=O)c2cccc(C3CCC3)c2)ccc1C(=O)[O-] ZINC001599414657 997484437 /nfs/dbraw/zinc/48/44/37/997484437.db2.gz YKEUURBJVXKMLQ-UHFFFAOYSA-N -1 0 339.391 3.591 20 0 EHADRM C[C@]1(CNC(=O)NCCCCCCC(=O)[O-])CCCc2ccccc21 ZINC001594020940 997535407 /nfs/dbraw/zinc/53/54/07/997535407.db2.gz ZBFOFPNKTUBODK-HXUWFJFHSA-N -1 0 346.471 3.615 20 0 EHADRM CON(Cc1oncc1C(=O)[O-])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001599318596 997541498 /nfs/dbraw/zinc/54/14/98/997541498.db2.gz NKISJKSFUFUDPA-VIFPVBQESA-N -1 0 344.289 3.516 20 0 EHADRM CC1(CNC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CCCCC1 ZINC001594021666 997542546 /nfs/dbraw/zinc/54/25/46/997542546.db2.gz LCIUCIFNGSEYHA-JKSUJKDBSA-N -1 0 330.428 3.967 20 0 EHADRM COc1cc(Cl)cc(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])c1 ZINC001599419783 997573141 /nfs/dbraw/zinc/57/31/41/997573141.db2.gz KOWKINXQMNSSLH-UHFFFAOYSA-N -1 0 341.835 3.558 20 0 EHADRM COc1cc(Cl)ccc1[C@H](C)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001599421478 997602282 /nfs/dbraw/zinc/60/22/82/997602282.db2.gz SZMDRMCQVIJQQR-DTWKUNHWSA-N -1 0 340.832 3.915 20 0 EHADRM COc1cc(F)c(N[C@H](C)c2cc(C(=O)[O-])cs2)cc1OC ZINC001599424649 997652947 /nfs/dbraw/zinc/65/29/47/997652947.db2.gz XBXWULCXSRIVCA-MRVPVSSYSA-N -1 0 325.361 3.776 20 0 EHADRM COc1ccc([C@@H](NCc2ccc(-c3ccccc3)o2)C(=O)[O-])cc1 ZINC001599532142 997673709 /nfs/dbraw/zinc/67/37/09/997673709.db2.gz OZBJIZZCTQKJCP-LJQANCHMSA-N -1 0 337.375 3.871 20 0 EHADRM COc1c(C)cc(Cl)cc1NC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001599331250 997752912 /nfs/dbraw/zinc/75/29/12/997752912.db2.gz JRPVSMXERNTVQG-UHFFFAOYSA-N -1 0 337.803 3.631 20 0 EHADRM C[C@]1(NC(=O)C[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCCC[C@H]1C(=O)[O-] ZINC001594053765 997776116 /nfs/dbraw/zinc/77/61/16/997776116.db2.gz XXQHWJZSMHJRAL-FOCJUVANSA-N -1 0 349.393 3.895 20 0 EHADRM COc1cc(NC(=O)N2C[C@@H](C(C)C)[C@H]2C(C)C)ccc1C(=O)[O-] ZINC001599433861 997806936 /nfs/dbraw/zinc/80/69/36/997806936.db2.gz MQNOMRWZOVDENW-GOEBONIOSA-N -1 0 334.416 3.538 20 0 EHADRM C[C@@]1(NC(=O)c2coc3ccc(Cl)cc32)CCCC[C@H]1C(=O)[O-] ZINC001594057242 997808550 /nfs/dbraw/zinc/80/85/50/997808550.db2.gz YOYRSYJKVTUKHQ-SUMWQHHRSA-N -1 0 335.787 3.850 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC001599541027 997843459 /nfs/dbraw/zinc/84/34/59/997843459.db2.gz BDHCAUITYYQRKE-UEDYQVLESA-N -1 0 330.380 3.525 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)/C=C(\C)c1ccccc1 ZINC001599543189 997878951 /nfs/dbraw/zinc/87/89/51/997878951.db2.gz MJKWODIMGMBNRW-HUJVCGDBSA-N -1 0 338.359 3.802 20 0 EHADRM COC(=O)c1cc(NC(=O)CCC2CCCCCC2)ccc1C(=O)[O-] ZINC001598937500 997897698 /nfs/dbraw/zinc/89/76/98/997897698.db2.gz BUMGOARMRVGGDM-UHFFFAOYSA-N -1 0 347.411 3.861 20 0 EHADRM COc1c(NC(=O)N2CCC[C@H]2c2ccccc2)cccc1C(=O)[O-] ZINC001599340864 997920003 /nfs/dbraw/zinc/92/00/03/997920003.db2.gz VGFAWKKWDQPKMS-INIZCTEOSA-N -1 0 340.379 3.762 20 0 EHADRM COc1cc(NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)c(C)cc1C ZINC001599441523 997937056 /nfs/dbraw/zinc/93/70/56/997937056.db2.gz ZQLUOZJPQOXILX-UHFFFAOYSA-N -1 0 332.331 3.793 20 0 EHADRM COc1cc(NC(=O)c2cncc(-c3ccccc3)c2)ccc1C(=O)[O-] ZINC001599442996 997961138 /nfs/dbraw/zinc/96/11/38/997961138.db2.gz RUAIFQSNAMMUGN-UHFFFAOYSA-N -1 0 348.358 3.708 20 0 EHADRM COc1cc(NCc2c(Cl)n(C)nc2C(C)C)ccc1C(=O)[O-] ZINC001599443366 997966704 /nfs/dbraw/zinc/96/67/04/997966704.db2.gz CHPYQTDIMNDZKG-UHFFFAOYSA-N -1 0 337.807 3.516 20 0 EHADRM CC1(c2ccccc2)CCC(NC(=O)c2cc(C(=O)[O-])co2)CC1 ZINC001594079634 997971283 /nfs/dbraw/zinc/97/12/83/997971283.db2.gz LEKQOUXJPNWKJH-UHFFFAOYSA-N -1 0 327.380 3.608 20 0 EHADRM C[C@]1(c2ccccc2)CCCN1C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001594079767 997974116 /nfs/dbraw/zinc/97/41/16/997974116.db2.gz RMFTZPPFNJGDEF-CSHXORCISA-N -1 0 325.364 3.529 20 0 EHADRM COc1c(SCc2c(Cl)cccc2Cl)ncnc1C(=O)[O-] ZINC001599344428 997977016 /nfs/dbraw/zinc/97/70/16/997977016.db2.gz IVXNFVDQDNTNOV-UHFFFAOYSA-N -1 0 345.207 3.783 20 0 EHADRM COc1c(NCCc2ccc(-c3ccccc3)cc2)ncnc1C(=O)[O-] ZINC001599344588 997981234 /nfs/dbraw/zinc/98/12/34/997981234.db2.gz KWQRIIFKDXKWGI-UHFFFAOYSA-N -1 0 349.390 3.505 20 0 EHADRM COc1c(SCc2cccc3ccccc32)ncnc1C(=O)[O-] ZINC001599345230 997992579 /nfs/dbraw/zinc/99/25/79/997992579.db2.gz SKRHQAZPAGFTEM-UHFFFAOYSA-N -1 0 326.377 3.629 20 0 EHADRM COc1ccc(C[C@@H]2CCCN(c3nc(C(=O)[O-])c(C)s3)C2)cc1 ZINC001599551707 998018889 /nfs/dbraw/zinc/01/88/89/998018889.db2.gz CVSLYBWQJYQIRF-AWEZNQCLSA-N -1 0 346.452 3.617 20 0 EHADRM COc1ccc(CN(C)Cc2ccc(/C=C\C(=O)[O-])o2)cc1Cl ZINC001599557919 998127944 /nfs/dbraw/zinc/12/79/44/998127944.db2.gz GNSWRDQGZVCAAX-VURMDHGXSA-N -1 0 335.787 3.671 20 0 EHADRM COCC(C)(C)CC(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001599144478 998188536 /nfs/dbraw/zinc/18/85/36/998188536.db2.gz APJKRRMLRLXIFU-ZDUSSCGKSA-N -1 0 348.317 3.594 20 0 EHADRM CCC(CC)n1nc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1C ZINC000683326181 1016199462 /nfs/dbraw/zinc/19/94/62/1016199462.db2.gz YUJLHGVACNZOHY-CQSZACIVSA-N -1 0 349.475 3.516 20 0 EHADRM C[C@H]1C(=O)CC[C@H](C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C1(C)C ZINC001594122665 998286645 /nfs/dbraw/zinc/28/66/45/998286645.db2.gz QLDVOXBTKKXBHO-TVQRCGJNSA-N -1 0 337.803 3.618 20 0 EHADRM COC(=O)c1ccc(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)cc1 ZINC001598958713 998293294 /nfs/dbraw/zinc/29/32/94/998293294.db2.gz OYBUWJFWMYSRBJ-UHFFFAOYSA-N -1 0 349.342 3.577 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N1CCC2(CCCC2)CC1 ZINC001599369888 998393221 /nfs/dbraw/zinc/39/32/21/998393221.db2.gz BRUMPLNIEUUJKH-UHFFFAOYSA-N -1 0 332.400 3.582 20 0 EHADRM COc1ccc(-c2cc(C(=O)O[C@H](C)CC(=O)[O-])sc2C)cc1 ZINC001599467849 998395305 /nfs/dbraw/zinc/39/53/05/998395305.db2.gz UAMNSDROYBGFTJ-SNVBAGLBSA-N -1 0 334.393 3.752 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](c1ccccc1)C(C)C ZINC001599371955 998425308 /nfs/dbraw/zinc/42/53/08/998425308.db2.gz XAEDGQIZNGPHMV-QGZVFWFLSA-N -1 0 327.380 3.772 20 0 EHADRM COCCc1ccc(Oc2ncc(C(=O)[O-])cc2C(F)(F)F)cc1 ZINC001599263564 998429043 /nfs/dbraw/zinc/42/90/43/998429043.db2.gz QVXNACRDDLTXSA-UHFFFAOYSA-N -1 0 341.285 3.780 20 0 EHADRM COc1ccc(COc2c(CC(=O)[O-])cccc2OC)cc1Cl ZINC001599576194 998447351 /nfs/dbraw/zinc/44/73/51/998447351.db2.gz XJZWCLUMHVTAQO-UHFFFAOYSA-N -1 0 336.771 3.563 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)NCC1(CC(C)C)CCC1 ZINC001599374175 998460404 /nfs/dbraw/zinc/46/04/04/998460404.db2.gz WWDRZZKELFNEQU-UHFFFAOYSA-N -1 0 334.416 3.731 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)NC[C@H]1CCC=CCCC1 ZINC001599374212 998460592 /nfs/dbraw/zinc/46/05/92/998460592.db2.gz XNPNHCGUUNPQKY-ZDUSSCGKSA-N -1 0 332.400 3.651 20 0 EHADRM COc1ccc(Cl)c(CSCc2nc(C(=O)[O-])cs2)c1 ZINC001599577239 998464344 /nfs/dbraw/zinc/46/43/44/998464344.db2.gz ZWWPBQBKDDOQNU-UHFFFAOYSA-N -1 0 329.830 3.937 20 0 EHADRM COc1ccc(Cl)cc1CNc1ccc(F)c(C(=O)[O-])c1F ZINC001599578062 998478521 /nfs/dbraw/zinc/47/85/21/998478521.db2.gz OFJCDELQZHVTEP-UHFFFAOYSA-N -1 0 327.714 3.937 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)CSCc1ccc(C(C)(C)C)cc1 ZINC001594146636 998485337 /nfs/dbraw/zinc/48/53/37/998485337.db2.gz CLXGVDYDJGEGIP-CJNGLKHVSA-N -1 0 349.496 3.539 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)C[C@@]12CCCC[C@@H]1C2(F)F ZINC001599378819 998533614 /nfs/dbraw/zinc/53/36/14/998533614.db2.gz QBGOOIGPHHCVHB-BBRMVZONSA-N -1 0 340.322 3.514 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)CCCc1ccccc1Cl ZINC001599378799 998534257 /nfs/dbraw/zinc/53/42/57/998534257.db2.gz OXJIWPXMTHLFTH-UHFFFAOYSA-N -1 0 348.782 3.975 20 0 EHADRM COc1ccc(F)cc1C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001599582307 998551221 /nfs/dbraw/zinc/55/12/21/998551221.db2.gz TYTPHHIAEGMELC-UHFFFAOYSA-N -1 0 347.342 3.572 20 0 EHADRM COC(=O)c1ccc2nc(SC[C@H]3CCCC[C@H]3C(=O)[O-])oc2c1 ZINC001598991881 998745021 /nfs/dbraw/zinc/74/50/21/998745021.db2.gz WPMSOCUOBGIPRS-VXGBXAGGSA-N -1 0 349.408 3.598 20 0 EHADRM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001594197417 998764222 /nfs/dbraw/zinc/76/42/22/998764222.db2.gz SDBCGGOCVMNTGS-IUODEOHRSA-N -1 0 344.436 3.534 20 0 EHADRM COC(=O)c1cccc(CSCc2ccccc2CC(=O)[O-])c1 ZINC001598999031 998807223 /nfs/dbraw/zinc/80/72/23/998807223.db2.gz HFUWNHUMFXRROC-UHFFFAOYSA-N -1 0 330.405 3.534 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)[C@H]1C[C@H](C)C[C@H](C)C1)C(=O)[O-] ZINC001594219778 998844795 /nfs/dbraw/zinc/84/47/95/998844795.db2.gz QJRQDACUFBTZAA-UIBIWLFHSA-N -1 0 331.456 3.808 20 0 EHADRM C[C@@H]1C[C@H](CC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC(C)(C)C1 ZINC001594231489 998879565 /nfs/dbraw/zinc/87/95/65/998879565.db2.gz BUQQCLOAOIXRPW-VXGBXAGGSA-N -1 0 337.382 3.705 20 0 EHADRM C[C@H]1C[C@H](CC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])CC(C)(C)C1 ZINC001594232071 998882213 /nfs/dbraw/zinc/88/22/13/998882213.db2.gz FMJJXGNDDNSPSS-LXZKKBNFSA-N -1 0 349.446 3.790 20 0 EHADRM COC(=O)c1cnc(Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c(Cl)c1 ZINC001599009611 998886191 /nfs/dbraw/zinc/88/61/91/998886191.db2.gz QQFYQCAITMIFHP-SNVBAGLBSA-N -1 0 348.786 3.528 20 0 EHADRM C[C@@H]1C[C@H](CC(=O)N[C@](C)(CC(=O)[O-])c2ccccn2)CC(C)(C)C1 ZINC001594232691 998887355 /nfs/dbraw/zinc/88/73/55/998887355.db2.gz PLTNEMDCDZUOPO-STXHMFSFSA-N -1 0 346.471 3.740 20 0 EHADRM COC(=O)c1csc(CNc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC001599012822 998913233 /nfs/dbraw/zinc/91/32/33/998913233.db2.gz MXZJLYAJLNRGQZ-UHFFFAOYSA-N -1 0 333.409 3.509 20 0 EHADRM CO[C@@H](C(=O)[O-])c1ccccc1OCc1cccc(OC(C)(C)C)n1 ZINC001599027414 999025725 /nfs/dbraw/zinc/02/57/25/999025725.db2.gz SQMGUKNQZPXXKE-QGZVFWFLSA-N -1 0 345.395 3.610 20 0 EHADRM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001594278538 999079041 /nfs/dbraw/zinc/07/90/41/999079041.db2.gz PCKAPIUGTQDNEC-YKDSUIRESA-N -1 0 340.782 3.591 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)NC2(CC(=O)[O-])CCCCC2)c1 ZINC001599041067 999117634 /nfs/dbraw/zinc/11/76/34/999117634.db2.gz JCNVZYURNRWPSO-ZDUSSCGKSA-N -1 0 334.416 3.693 20 0 EHADRM C[C@H](NC(=O)C=C1CCC(C)CC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001594291764 999124749 /nfs/dbraw/zinc/12/47/49/999124749.db2.gz YGWNETZWCZPXKV-JGNLYWJMSA-N -1 0 329.440 3.571 20 0 EHADRM C[C@@H]1CC=C(C(=O)N[C@@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])CC1 ZINC001594291888 999125807 /nfs/dbraw/zinc/12/58/07/999125807.db2.gz HPDUUUZHKIITCJ-LJHODMEESA-N -1 0 341.451 3.812 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001594298625 999151245 /nfs/dbraw/zinc/15/12/45/999151245.db2.gz IXMNQTUBPDJHKY-XYPHTWIQSA-N -1 0 333.428 3.801 20 0 EHADRM C[C@@H]1CC[C@H](CC(=O)N[C@@H](C(=O)[O-])c2cccc3ccccc32)C1 ZINC001594302863 999171893 /nfs/dbraw/zinc/17/18/93/999171893.db2.gz RYYHQIQXLUPBSL-BIENJYKASA-N -1 0 325.408 3.908 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)[C@H](C)C1 ZINC001594312330 999198682 /nfs/dbraw/zinc/19/86/82/999198682.db2.gz AAFWTKKCZHZKJD-HFAKWTLXSA-N -1 0 329.400 3.812 20 0 EHADRM C[C@@H]1CC[C@@](NC(=O)C[C@@H]2CC=CCC2)(C(=O)[O-])c2ccccc21 ZINC001594314355 999216382 /nfs/dbraw/zinc/21/63/82/999216382.db2.gz PZEMXKHLBRAKTL-SXGZJXTBSA-N -1 0 327.424 3.726 20 0 EHADRM CO[C@@H](COC(=O)c1ccc(C(=O)[O-])s1)c1ccc(Cl)cc1 ZINC001599055264 999225232 /nfs/dbraw/zinc/22/52/32/999225232.db2.gz CWOVORRXFVKRQC-NSHDSACASA-N -1 0 340.784 3.644 20 0 EHADRM C[C@@H]1CC[C@](NC(=O)C2CCC=CCC2)(C(=O)[O-])c2ccccc21 ZINC001594321159 999233795 /nfs/dbraw/zinc/23/37/95/999233795.db2.gz NOTLJHAPIWYBCR-JLTOFOAXSA-N -1 0 327.424 3.726 20 0 EHADRM C[C@@H]1CC[C@](NC(=O)c2cccc3c2CCC3)(C(=O)[O-])c2ccccc21 ZINC001594321847 999238807 /nfs/dbraw/zinc/23/88/07/999238807.db2.gz HLENJEJKUNZATH-JLCFBVMHSA-N -1 0 349.430 3.783 20 0 EHADRM C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C1 ZINC001594330582 999271323 /nfs/dbraw/zinc/27/13/23/999271323.db2.gz VPVCTRNOLHMSOP-DDBAPUKQSA-N -1 0 329.440 3.877 20 0 EHADRM C[C@H]1CCC[C@H](CNC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)C1 ZINC001594345768 999309611 /nfs/dbraw/zinc/30/96/11/999309611.db2.gz GGKLVIRXKAKOCE-RYUDHWBXSA-N -1 0 329.400 3.814 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N[C@H]1CCC[C@@H](C)C1 ZINC001594352881 999336755 /nfs/dbraw/zinc/33/67/55/999336755.db2.gz TXVWTEDNNMAPEJ-OCCSQVGLSA-N -1 0 334.416 3.872 20 0 EHADRM C[C@@H]1CCC[C@@H]1CC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001594357889 999353381 /nfs/dbraw/zinc/35/33/81/999353381.db2.gz QMNJARAZSIWOMA-CHWSQXEVSA-N -1 0 329.396 3.616 20 0 EHADRM C[C@H]1CCC[C@@H]1CC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001594359816 999360586 /nfs/dbraw/zinc/36/05/86/999360586.db2.gz OJSKQKVWJHDLAV-VHSXEESVSA-N -1 0 340.217 3.912 20 0 EHADRM C[C@H]1CCCC[C@H]1CC(=O)Nc1cccnc1SCCC(=O)[O-] ZINC001594363454 999371782 /nfs/dbraw/zinc/37/17/82/999371782.db2.gz DICXRDXJEJICDV-STQMWFEESA-N -1 0 336.457 3.803 20 0 EHADRM C[C@@H]1CCCC[C@H]1CC(=O)Nc1cc2c(cc1C(=O)[O-])OCCCO2 ZINC001594363975 999374703 /nfs/dbraw/zinc/37/47/03/999374703.db2.gz PRORXPPVYWHJNV-OLZOCXBDSA-N -1 0 347.411 3.701 20 0 EHADRM C[C@H]1CCCN1C(=O)CCSCc1cccc(C(=O)[O-])c1Cl ZINC001594388169 999469366 /nfs/dbraw/zinc/46/93/66/999469366.db2.gz GMLAJMJJGGOUNK-NSHDSACASA-N -1 0 341.860 3.672 20 0 EHADRM C[C@@H]1CCN(C(=O)CCCc2csc3ccccc23)[C@H](C(=O)[O-])C1 ZINC001594395845 999491248 /nfs/dbraw/zinc/49/12/48/999491248.db2.gz GRQXOHXNBGIOGZ-CJNGLKHVSA-N -1 0 345.464 3.936 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc(F)cc(C(=O)[O-])c2)[C@@H]1c1ccccc1 ZINC001594407197 999526662 /nfs/dbraw/zinc/52/66/62/999526662.db2.gz PBQPWSJGCLENTP-SJCJKPOMSA-N -1 0 327.355 3.747 20 0 EHADRM CC1CCN(c2ccc(C(=O)N[C@H](CC(C)(C)C)C(=O)[O-])cc2)CC1 ZINC001594434328 999612972 /nfs/dbraw/zinc/61/29/72/999612972.db2.gz NCGFFCKENOTFAJ-QGZVFWFLSA-N -1 0 346.471 3.542 20 0 EHADRM CC1CCN(c2ccc(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)cc2)CC1 ZINC001594434543 999613575 /nfs/dbraw/zinc/61/35/75/999613575.db2.gz UUALZTICSRSGAY-KRWDZBQOSA-N -1 0 346.471 3.542 20 0 EHADRM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001594447961 999642225 /nfs/dbraw/zinc/64/22/25/999642225.db2.gz LLVDHFJVHDDSGI-ZMZPIMSZSA-N -1 0 349.390 3.566 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC[C@@H]3CCC[C@H]32)n1 ZINC000084405723 1016447709 /nfs/dbraw/zinc/44/77/09/1016447709.db2.gz ADUBHQRIFRIHAO-JKSUJKDBSA-N -1 0 339.439 3.545 20 0 EHADRM Cc1ccc2oc(C(=O)N[C@@H](C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)cc2c1 ZINC000655580149 1016452141 /nfs/dbraw/zinc/45/21/41/1016452141.db2.gz HUEQZKUGGHFJNU-FPMFFAJLSA-N -1 0 329.396 3.606 20 0 EHADRM CC[C@@H](CC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655580071 1016454543 /nfs/dbraw/zinc/45/45/43/1016454543.db2.gz GBROCGUXTXIUEU-NXNVCVFFSA-N -1 0 331.456 3.822 20 0 EHADRM Cc1ccc(CCCCC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655580606 1016474092 /nfs/dbraw/zinc/47/40/92/1016474092.db2.gz PHQGWLKMPTWWFL-RYQLBKOJSA-N -1 0 345.483 3.959 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1ccc(COC(C)(C)C)cc1 ZINC000084461120 1016503107 /nfs/dbraw/zinc/50/31/07/1016503107.db2.gz AKVHQRCXEQCHCX-UHFFFAOYSA-N -1 0 349.452 3.811 20 0 EHADRM C[C@H](CCO)N(C)C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000652959420 1016630179 /nfs/dbraw/zinc/63/01/79/1016630179.db2.gz DDBKFNVUPYXOFN-GFCCVEGCSA-N -1 0 333.815 3.556 20 0 EHADRM CC(C)C[C@H](CNC(=O)N[C@H](c1cccs1)C1CC1)CC(=O)[O-] ZINC000659392400 1016651318 /nfs/dbraw/zinc/65/13/18/1016651318.db2.gz KBRGZWWSUHYINV-LRDDRELGSA-N -1 0 338.473 3.635 20 0 EHADRM O=C([O-])C1(CNC(=O)N2CCCCC[C@H]2c2ccccc2)CCC1 ZINC000659421871 1016678939 /nfs/dbraw/zinc/67/89/39/1016678939.db2.gz SHCVIXPUDSLMQP-INIZCTEOSA-N -1 0 330.428 3.568 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccc3c(c2)C(C)(C)CO3)c1 ZINC000579900784 1016730904 /nfs/dbraw/zinc/73/09/04/1016730904.db2.gz GNSHJZQFLNPRQI-UHFFFAOYSA-N -1 0 339.391 3.907 20 0 EHADRM CCC[C@@H]1CCC[C@H]1C(=O)N[C@H](CC(=O)[O-])c1ccc(OC)cc1 ZINC000659118132 1016888944 /nfs/dbraw/zinc/88/89/44/1016888944.db2.gz VAYHXNMTXJEVPI-KBRIMQKVSA-N -1 0 333.428 3.544 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1cc(=O)[nH]c2ccc(F)cc21 ZINC000340316069 1016930359 /nfs/dbraw/zinc/93/03/59/1016930359.db2.gz MHLGDWWBUCZNKJ-UHFFFAOYSA-N -1 0 332.718 3.691 20 0 EHADRM Cc1ccc([C@@H](C)N(C)C(=O)c2cccc(OCC(=O)[O-])c2)c(C)c1 ZINC000659752227 1016982404 /nfs/dbraw/zinc/98/24/04/1016982404.db2.gz CONDOMMQPXLSRR-OAHLLOKOSA-N -1 0 341.407 3.600 20 0 EHADRM C[C@H](NC(=O)c1ccc2ccccc2c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655584688 1017011114 /nfs/dbraw/zinc/01/11/14/1017011114.db2.gz MSICIDNRPDPDCF-AFAVFJNCSA-N -1 0 325.408 3.705 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000055150051 1017045348 /nfs/dbraw/zinc/04/53/48/1017045348.db2.gz GXUFHUYLUUXKOW-YUELXQCFSA-N -1 0 327.380 3.585 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)NC2CCC(C(=O)[O-])CC2)s1 ZINC000414624601 1017064502 /nfs/dbraw/zinc/06/45/02/1017064502.db2.gz JACPEEOZPHACMO-JXQTWKCFSA-N -1 0 336.457 3.546 20 0 EHADRM CC[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1ccc(OC)cc1 ZINC000183343739 1032161871 /nfs/dbraw/zinc/16/18/71/1032161871.db2.gz YSRVGZVWMVUOIO-ZDUSSCGKSA-N -1 0 339.313 3.699 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCSC[C@@H]1c1ccccc1 ZINC000183627183 1032214166 /nfs/dbraw/zinc/21/41/66/1032214166.db2.gz LJUFGRYTBXJUEG-OAHLLOKOSA-N -1 0 335.375 3.601 20 0 EHADRM Cc1nc(C)c([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)s1 ZINC000080972367 1032233769 /nfs/dbraw/zinc/23/37/69/1032233769.db2.gz JMMDFIMEBYEPNS-UHFFFAOYSA-N -1 0 337.253 3.868 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1C ZINC000538296918 1032279545 /nfs/dbraw/zinc/27/95/45/1032279545.db2.gz QMVYPJZGSFHFIG-CQSZACIVSA-N -1 0 335.473 3.889 20 0 EHADRM Cn1ccc(-c2noc(-c3cc(Cl)c4ccccc4c3[O-])n2)n1 ZINC000904875366 1032279774 /nfs/dbraw/zinc/27/97/74/1032279774.db2.gz AERUVGMOFJBEKP-UHFFFAOYSA-N -1 0 326.743 3.649 20 0 EHADRM CCCc1ccc(-c2csc(C3(C(=O)[O-])CCOCC3)n2)cc1 ZINC000905001022 1032313932 /nfs/dbraw/zinc/31/39/32/1032313932.db2.gz CIMVAPJHMWAYTI-UHFFFAOYSA-N -1 0 331.437 3.895 20 0 EHADRM Cc1c(C(=O)NC2(CC(=O)[O-])CCCC2)oc2c1c(C)ccc2C ZINC000262953570 1032319781 /nfs/dbraw/zinc/31/97/81/1032319781.db2.gz QWLZXUFJTDKUJY-UHFFFAOYSA-N -1 0 329.396 3.875 20 0 EHADRM C[C@H]1CC[C@@H](c2nc(=O)c3snc(-c4ccc(F)cc4)c3[n-]2)O1 ZINC000905031473 1032329415 /nfs/dbraw/zinc/32/94/15/1032329415.db2.gz IHKDGYMGNRMJEB-KWQFWETISA-N -1 0 331.372 3.838 20 0 EHADRM Cc1cc(Cl)cnc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000461220110 1032339757 /nfs/dbraw/zinc/33/97/57/1032339757.db2.gz RYFXEZGTIRNNPG-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM CCc1cccc(CC)c1NC(=O)[C@@H]1C[C@@]1(C(=O)[O-])c1ccccc1 ZINC000905111661 1032347068 /nfs/dbraw/zinc/34/70/68/1032347068.db2.gz KGAZXWWZMHXZSK-LAUBAEHRSA-N -1 0 337.419 3.792 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CCCC[C@H]2c2ccc(F)cc2)C1 ZINC000905124027 1032352212 /nfs/dbraw/zinc/35/22/12/1032352212.db2.gz MWCSMLQBBMJAHL-VYDXJSESSA-N -1 0 333.403 3.770 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])[S@](=O)Cc1nc(-c2ccccc2)cs1 ZINC000584395314 1032375184 /nfs/dbraw/zinc/37/51/84/1032375184.db2.gz YTCPPIRJKDSCGO-RCDICMHDSA-N -1 0 337.466 3.558 20 0 EHADRM Cn1ccc(/C=C/c2nc3cc(C(=O)[O-])ccc3n2-c2ccccc2)n1 ZINC000536854497 1032382807 /nfs/dbraw/zinc/38/28/07/1032382807.db2.gz XMLJCZXDWCEKSK-CSKARUKUSA-N -1 0 344.374 3.628 20 0 EHADRM O=C(Nc1cccc(-c2cnco2)c1)c1cc(F)c(F)c([O-])c1F ZINC000185360882 1032384834 /nfs/dbraw/zinc/38/48/34/1032384834.db2.gz QKBAJHINMVIPAD-UHFFFAOYSA-N -1 0 334.253 3.717 20 0 EHADRM CCC(CC)(CNC(=O)[C@H](Sc1ccccc1)C(C)C)C(=O)[O-] ZINC000538466644 1032391425 /nfs/dbraw/zinc/39/14/25/1032391425.db2.gz OIWFBILDEIKWNC-OAHLLOKOSA-N -1 0 337.485 3.811 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)CCc1ccc2ccccc2c1 ZINC000262994886 1032408017 /nfs/dbraw/zinc/40/80/17/1032408017.db2.gz OKRFYOVNVXMRFM-FQEVSTJZSA-N -1 0 327.424 3.778 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)CC2CCC(C(F)(F)F)CC2)C1 ZINC000263014170 1032410486 /nfs/dbraw/zinc/41/04/86/1032410486.db2.gz PUIXDDWOQACLOV-SEEARECTSA-N -1 0 349.393 3.705 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2cncc3ccccc32)CCCCC1 ZINC000396420328 1032432786 /nfs/dbraw/zinc/43/27/86/1032432786.db2.gz GIZMLCVRXBTEMB-UHFFFAOYSA-N -1 0 326.396 3.989 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1ncnc2c1cnn2-c1ccccc1 ZINC001211618733 1032460586 /nfs/dbraw/zinc/46/05/86/1032460586.db2.gz OSRCRWHXAKETJQ-UHFFFAOYSA-N -1 0 345.362 3.566 20 0 EHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)[C@@H](C)S[C@H](C)C(=O)[O-])o1 ZINC000601989991 1032583986 /nfs/dbraw/zinc/58/39/86/1032583986.db2.gz FTWFMPTXGGAHRT-MCIONIFRSA-N -1 0 339.457 3.627 20 0 EHADRM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000606201074 1032601530 /nfs/dbraw/zinc/60/15/30/1032601530.db2.gz IYMHFGGIRZXFHI-NSHDSACASA-N -1 0 349.356 3.612 20 0 EHADRM CC1(C)CCc2ccccc2[C@H](NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])C1 ZINC000669622598 1032604341 /nfs/dbraw/zinc/60/43/41/1032604341.db2.gz NZESKJOVNOJNOJ-KZNAEPCWSA-N -1 0 341.451 3.873 20 0 EHADRM Cc1ccc(CN(C)C(=O)N=c2nc(-c3ccsc3)[n-]s2)cc1 ZINC000460132788 1032609493 /nfs/dbraw/zinc/60/94/93/1032609493.db2.gz UCEGSUFDXNURCY-UHFFFAOYSA-N -1 0 344.465 3.661 20 0 EHADRM CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000592975041 1032620076 /nfs/dbraw/zinc/62/00/76/1032620076.db2.gz GRXSRSMSUSKEOY-UHFFFAOYSA-N -1 0 343.452 3.864 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2c(C)cc(N(C)C)cc2C)sc1C ZINC000091052754 1032627139 /nfs/dbraw/zinc/62/71/39/1032627139.db2.gz MCYDTMMUZGBYGQ-UHFFFAOYSA-N -1 0 338.498 3.849 20 0 EHADRM CC(C(=O)N(C)C1CCCCC1)=S([O-])c1nc(C(C)C)cs1 ZINC000593002723 1032636958 /nfs/dbraw/zinc/63/69/58/1032636958.db2.gz ULNRWTRQJHCBTF-YTEVENLXSA-N -1 0 342.530 3.554 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@H](C)CCC(C)(C)C)c1 ZINC000755582629 1032676619 /nfs/dbraw/zinc/67/66/19/1032676619.db2.gz KVLFNWDQACZPHR-CQSZACIVSA-N -1 0 325.474 3.571 20 0 EHADRM CN(C(=O)NCCCCCC(=O)[O-])[C@H]1CCC[C@@H]1c1ccccc1 ZINC000414628639 1017081426 /nfs/dbraw/zinc/08/14/26/1017081426.db2.gz PCPIEIHZOABZRD-SJORKVTESA-N -1 0 332.444 3.609 20 0 EHADRM C[C@@H](C(=O)N(CC(=O)[O-])C1CCC1)c1c(Cl)cccc1Cl ZINC000655596238 1017127777 /nfs/dbraw/zinc/12/77/77/1017127777.db2.gz BEZGEBVXVIDDTP-SECBINFHSA-N -1 0 330.211 3.563 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2sc(C)nc2C)c2ccccc12 ZINC000088545768 1017130604 /nfs/dbraw/zinc/13/06/04/1017130604.db2.gz BUAKGSWWPYMOGW-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N2CCC[C@@H](C)[C@H]2C)s1 ZINC000471346060 1017142877 /nfs/dbraw/zinc/14/28/77/1017142877.db2.gz KVXGBVWIYYMADW-ZYHUDNBSSA-N -1 0 348.447 3.727 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)NCCC2=CCCC2)s1 ZINC000471372471 1017204938 /nfs/dbraw/zinc/20/49/38/1017204938.db2.gz GIDBXFQAOLTDKS-UHFFFAOYSA-N -1 0 346.431 3.696 20 0 EHADRM Cc1cc(C)cc(CC(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC000668283392 1017206089 /nfs/dbraw/zinc/20/60/89/1017206089.db2.gz PILUQFCRWYXSPS-HNNXBMFYSA-N -1 0 325.408 3.748 20 0 EHADRM CCc1cc(=O)c2cc(NC(=O)c3ccc([O-])c(Cl)c3)ccc2[nH]1 ZINC000183312665 1017277563 /nfs/dbraw/zinc/27/75/63/1017277563.db2.gz DZLDDCGWAIRELO-UHFFFAOYSA-N -1 0 342.782 3.702 20 0 EHADRM CN(Cc1ccccc1)C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000547916541 1017319665 /nfs/dbraw/zinc/31/96/65/1017319665.db2.gz QYOQNLZQBOEEIK-MRXNPFEDSA-N -1 0 346.814 3.697 20 0 EHADRM Cc1ccc([C@@H]2CSCCN2C(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000183632381 1017356469 /nfs/dbraw/zinc/35/64/69/1017356469.db2.gz PNWHRZAVMDGSFP-INIZCTEOSA-N -1 0 349.402 3.909 20 0 EHADRM CCC(CC)c1cc(C(=O)N[C@H](CC(=O)[O-])C2CCCCC2)on1 ZINC000537404382 1032706588 /nfs/dbraw/zinc/70/65/88/1032706588.db2.gz WHUWZOVQKBUELW-CQSZACIVSA-N -1 0 336.432 3.732 20 0 EHADRM Fc1cccc(Cc2n[n-]c(=NCc3ccc(F)cc3F)s2)c1 ZINC000537406912 1032710533 /nfs/dbraw/zinc/71/05/33/1032710533.db2.gz HWNAZOUUWVEKAM-UHFFFAOYSA-N -1 0 335.354 3.580 20 0 EHADRM CC(C)c1nc(/C=C\c2c(Cl)nc3sccn23)ncc1C(=O)[O-] ZINC000255108986 1017636000 /nfs/dbraw/zinc/63/60/00/1017636000.db2.gz DTZUFGZNIOEWAU-ARJAWSKDSA-N -1 0 348.815 3.831 20 0 EHADRM Cc1oc(-c2cccs2)nc1CONC(=O)Cc1ccc(C)cc1 ZINC000177581878 1017695382 /nfs/dbraw/zinc/69/53/82/1017695382.db2.gz WVTIESWGIYVKJN-UHFFFAOYSA-N -1 0 342.420 3.810 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCCO[C@H](c2ccccc2)C1 ZINC000683619219 1017724420 /nfs/dbraw/zinc/72/44/20/1017724420.db2.gz IMQKSPDSUOJPMT-INIZCTEOSA-N -1 0 349.789 3.789 20 0 EHADRM CSc1cccc(NS(=O)(=O)c2cc(C)c(F)c(C)c2)c1 ZINC000460431634 1017809042 /nfs/dbraw/zinc/80/90/42/1017809042.db2.gz YXUDAGFLWSJXAQ-UHFFFAOYSA-N -1 0 325.430 3.965 20 0 EHADRM C[C@H](CNC(=O)N([C@H](C)c1ccc2ccccc2c1)C1CC1)C(=O)[O-] ZINC000655886070 1017855685 /nfs/dbraw/zinc/85/56/85/1017855685.db2.gz VRXBFNJYWACVRW-ZIAGYGMSSA-N -1 0 340.423 3.796 20 0 EHADRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1ccc2c(c1)CCO2 ZINC000121067551 1017954001 /nfs/dbraw/zinc/95/40/01/1017954001.db2.gz NOZMINCHJBFXAW-INIZCTEOSA-N -1 0 344.370 3.617 20 0 EHADRM O=C(NCc1ccc(OC(F)F)cc1)C(F)(F)c1ccc(F)cc1 ZINC000147351100 1018036779 /nfs/dbraw/zinc/03/67/79/1018036779.db2.gz HWPJSOMBTWEVOO-UHFFFAOYSA-N -1 0 345.267 3.835 20 0 EHADRM Cc1cc(C)cc(C[C@@H](C)NC(=O)CC2CCC(C(=O)[O-])CC2)c1 ZINC000574208706 1032739884 /nfs/dbraw/zinc/73/98/84/1032739884.db2.gz SWEZDHSKBWYNRJ-KLHKWILBSA-N -1 0 331.456 3.632 20 0 EHADRM CCSc1cccc(CN=c2[n-]nc(Cc3ccc(F)cc3)o2)c1 ZINC000471476202 1018111124 /nfs/dbraw/zinc/11/11/24/1018111124.db2.gz NHIZUUIAFQKLJU-UHFFFAOYSA-N -1 0 343.427 3.946 20 0 EHADRM C[C@H](Nc1nccc(Oc2ccccc2)n1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656092782 1018522045 /nfs/dbraw/zinc/52/20/45/1018522045.db2.gz RCYQPDHJPYGHMZ-AEGPPILISA-N -1 0 341.411 3.816 20 0 EHADRM CCOc1cncc(Nc2ccc3ccccc3c2S(=O)(=O)[O-])c1 ZINC001210665203 1018534414 /nfs/dbraw/zinc/53/44/14/1018534414.db2.gz MFGLLKHEUVNRJH-UHFFFAOYSA-N -1 0 344.392 3.624 20 0 EHADRM COc1cc(/C=C/c2cc(C(=O)[O-])ccn2)c(SC)cc1OC ZINC000340592648 1018607249 /nfs/dbraw/zinc/60/72/49/1018607249.db2.gz URTATEVFTDAYQY-SNAWJCMRSA-N -1 0 331.393 3.689 20 0 EHADRM O=C(Cn1c2ccccc2nc1C1CCCCC1)[N-]OCC1CCC1 ZINC001167369003 1018813633 /nfs/dbraw/zinc/81/36/33/1018813633.db2.gz NOMFDCAXNXWGEM-UHFFFAOYSA-N -1 0 341.455 3.932 20 0 EHADRM CSc1cccc(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])c1 ZINC000323943997 1018948067 /nfs/dbraw/zinc/94/80/67/1018948067.db2.gz UWKYVXYCXDXUNG-OAHLLOKOSA-N -1 0 336.457 3.954 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H]1C(=O)Nc1cc(Br)ccc1Cl ZINC000128103739 1018975267 /nfs/dbraw/zinc/97/52/67/1018975267.db2.gz OSVDVOHZMZKVFN-RKDXNWHRSA-N -1 0 346.608 3.542 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cnc(Cl)c(C)c2)cc1Cl ZINC000085235613 1019031241 /nfs/dbraw/zinc/03/12/41/1019031241.db2.gz LVUIMWQPZKFIDB-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM Cc1csc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)n1 ZINC000340634783 1019033272 /nfs/dbraw/zinc/03/32/72/1019033272.db2.gz WZDBZDTUNMLLCW-UHFFFAOYSA-N -1 0 341.216 3.698 20 0 EHADRM CCCCCC[C@@H](C)CC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000728971812 1019133947 /nfs/dbraw/zinc/13/39/47/1019133947.db2.gz IKSDWPHZKLRLAD-CYBMUJFWSA-N -1 0 331.416 3.965 20 0 EHADRM COCc1ccc(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000024824740 1019353342 /nfs/dbraw/zinc/35/33/42/1019353342.db2.gz NAKIKNGRXXLVLF-GIJQJNRQSA-N -1 0 334.759 3.719 20 0 EHADRM Cc1nc(C)c(CN[C@@]2(C(=O)[O-])CCC(C)(C)c3ccccc32)s1 ZINC000340692068 1019387574 /nfs/dbraw/zinc/38/75/74/1019387574.db2.gz RDSDHNBFVQXSNO-IBGZPJMESA-N -1 0 344.480 3.901 20 0 EHADRM CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000656231289 1019470112 /nfs/dbraw/zinc/47/01/12/1019470112.db2.gz FVVOZAVMOXKZIS-BFHYXJOUSA-N -1 0 344.238 3.570 20 0 EHADRM Cc1cc(NC(=O)C[C@H](C)CC(=O)[O-])ccc1Oc1cccnc1 ZINC000656239195 1019525929 /nfs/dbraw/zinc/52/59/29/1019525929.db2.gz ZTKIPHTYBDUEOM-LBPRGKRZSA-N -1 0 328.368 3.622 20 0 EHADRM CCCCOc1ccccc1NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC000262083302 1019531982 /nfs/dbraw/zinc/53/19/82/1019531982.db2.gz HBFRSGUTZZUAPS-UHFFFAOYSA-N -1 0 343.379 3.581 20 0 EHADRM CCC[C@@](C)(NC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1)C(=O)[O-] ZINC000262144620 1019548201 /nfs/dbraw/zinc/54/82/01/1019548201.db2.gz ARFSTHCJWSLTLM-LJQANCHMSA-N -1 0 343.379 3.522 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000262216619 1019563624 /nfs/dbraw/zinc/56/36/24/1019563624.db2.gz UEGUSYLMWSTMGO-BRWVUGGUSA-N -1 0 343.810 3.656 20 0 EHADRM CCc1nc(=N[C@@H](COCc2ccccc2)c2ccccc2)s[n-]1 ZINC000433772597 1019588825 /nfs/dbraw/zinc/58/88/25/1019588825.db2.gz AYCOEBNZHKEADL-KRWDZBQOSA-N -1 0 339.464 3.892 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N2CCC[C@H]2CCc2ccccc2)CC1 ZINC000580555286 1019633649 /nfs/dbraw/zinc/63/36/49/1019633649.db2.gz LZKBOPSKDNGYMB-ACBHZAAOSA-N -1 0 343.467 3.891 20 0 EHADRM CC(C)(C)c1cc(CN2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])no1 ZINC000580572352 1019657074 /nfs/dbraw/zinc/65/70/74/1019657074.db2.gz TXFSLYBSSAGRIA-ZBFHGGJFSA-N -1 0 334.460 3.828 20 0 EHADRM C[C@@H]1CC[C@]2(CCN(C(=O)N=c3[n-]nc(-c4ccccc4)s3)C2)C1 ZINC000513441544 1019679724 /nfs/dbraw/zinc/67/97/24/1019679724.db2.gz BSWVQQSHMDMGEF-ACJLOTCBSA-N -1 0 342.468 3.671 20 0 EHADRM COc1c(C)cc(C(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)cc1C ZINC000647826065 1019707018 /nfs/dbraw/zinc/70/70/18/1019707018.db2.gz UFIOGXHDTUONEJ-UHFFFAOYSA-N -1 0 337.379 3.660 20 0 EHADRM Cc1c(S(=O)(=O)[N-]c2cccc3[nH]ccc32)c2ccccc2n1C ZINC000340731687 1019717540 /nfs/dbraw/zinc/71/75/40/1019717540.db2.gz CNMVNEGUJMSGGH-UHFFFAOYSA-N -1 0 339.420 3.769 20 0 EHADRM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1cccc(C(=O)[O-])n1 ZINC000262855429 1019747140 /nfs/dbraw/zinc/74/71/40/1019747140.db2.gz UPVDOCGCADSHOQ-NSHDSACASA-N -1 0 347.440 3.501 20 0 EHADRM Cc1ccc(CCCC(=O)N=c2nc(-c3ccccc3)[n-]s2)s1 ZINC000430029235 1019789484 /nfs/dbraw/zinc/78/94/84/1019789484.db2.gz FBZGAERQPTXWRA-UHFFFAOYSA-N -1 0 343.477 3.958 20 0 EHADRM COCc1cc(NC(=O)C(C)(C)c2cccs2)cc(C(=O)[O-])c1 ZINC000263053985 1019801732 /nfs/dbraw/zinc/80/17/32/1019801732.db2.gz GKPIFQKOERRVOT-UHFFFAOYSA-N -1 0 333.409 3.509 20 0 EHADRM O=C([O-])c1ccccc1-c1ccccc1C(=O)NCC1(C2CC2)CC1 ZINC000263079803 1019806090 /nfs/dbraw/zinc/80/60/90/1019806090.db2.gz YZYFOCYXNVGQFT-UHFFFAOYSA-N -1 0 335.403 3.972 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC[C@@H]1C(=O)[O-] ZINC000263141506 1019825342 /nfs/dbraw/zinc/82/53/42/1019825342.db2.gz YLDUZKRUBVJEEH-NEPJUHHUSA-N -1 0 347.798 3.783 20 0 EHADRM CC(C)[C@@H](CNC(=O)C1CCC(C(=O)[O-])CC1)Cc1ccccc1 ZINC000263144167 1019828538 /nfs/dbraw/zinc/82/85/38/1019828538.db2.gz YOWKCQLADPBZCX-DAWZGUTISA-N -1 0 331.456 3.509 20 0 EHADRM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2ccc(C(=O)[O-])c(C)n2)o1 ZINC000263321487 1019871523 /nfs/dbraw/zinc/87/15/23/1019871523.db2.gz IZFSYNUHZAALQA-BDJLRTHQSA-N -1 0 342.395 3.603 20 0 EHADRM CC(C)(C(=O)[O-])C(=O)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000580774503 1020002041 /nfs/dbraw/zinc/00/20/41/1020002041.db2.gz SRPUGVUWKDABBX-YPMHNXCESA-N -1 0 343.345 3.569 20 0 EHADRM CC(C)c1nc([C@H]2CCCCCN2C(=O)c2c([O-])cccc2F)no1 ZINC000548134273 1020046444 /nfs/dbraw/zinc/04/64/44/1020046444.db2.gz FZQMDRHAKJOSQN-CYBMUJFWSA-N -1 0 347.390 3.795 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)COc2cccc(CC)c2)c1 ZINC000580867277 1020158790 /nfs/dbraw/zinc/15/87/90/1020158790.db2.gz NFRXVXVNQYFITA-UHFFFAOYSA-N -1 0 327.380 3.565 20 0 EHADRM Cc1occc1C(=O)Nc1c(O)cc(Br)cc1Cl ZINC000581003490 1020349527 /nfs/dbraw/zinc/34/95/27/1020349527.db2.gz RAKNBYHNWSVZHT-UHFFFAOYSA-N -1 0 330.565 3.962 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)C1(c2cccc(F)c2)CC1 ZINC000160731983 1020363789 /nfs/dbraw/zinc/36/37/89/1020363789.db2.gz IYOPRHQJIMQSQM-UHFFFAOYSA-N -1 0 328.368 3.926 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@@H](c1ccccc1)n1cccn1 ZINC000345616771 1020389340 /nfs/dbraw/zinc/38/93/40/1020389340.db2.gz DLIZEPWOWZXHFJ-MRXNPFEDSA-N -1 0 345.761 3.609 20 0 EHADRM O=S(=O)([N-]C1(CF)CCC1)c1sc2ccccc2c1Cl ZINC000581069051 1020395166 /nfs/dbraw/zinc/39/51/66/1020395166.db2.gz LFYMAGZPGLVYIL-UHFFFAOYSA-N -1 0 333.837 3.725 20 0 EHADRM Cc1ccc(-c2cnc([N-]S(=O)(=O)c3cccnc3)s2)c(C)c1 ZINC000345624394 1020399657 /nfs/dbraw/zinc/39/96/57/1020399657.db2.gz MWQZBZYXYZAXGT-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM CCc1ccc([C@H]2CN(Cc3ccc(C(=O)[O-])cc3F)CCO2)cc1 ZINC000581076348 1020404930 /nfs/dbraw/zinc/40/49/30/1020404930.db2.gz BWHLLPODERFAEN-LJQANCHMSA-N -1 0 343.398 3.660 20 0 EHADRM O=C(Nc1n[nH]c(C(F)(F)F)n1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000581112104 1020439712 /nfs/dbraw/zinc/43/97/12/1020439712.db2.gz OYSYJLXYOOEMRS-VXGBXAGGSA-N -1 0 338.333 3.736 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2Cl)c1 ZINC000345745601 1020494118 /nfs/dbraw/zinc/49/41/18/1020494118.db2.gz IUUOHNVMRKXTMJ-STQMWFEESA-N -1 0 347.773 3.848 20 0 EHADRM CCC[C@H](C)C(=O)N[C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000345792193 1020525060 /nfs/dbraw/zinc/52/50/60/1020525060.db2.gz FVPVANWKSCXROS-TVQRCGJNSA-N -1 0 332.227 3.542 20 0 EHADRM Cc1ccc(F)c(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000345883110 1020573254 /nfs/dbraw/zinc/57/32/54/1020573254.db2.gz JSUQWPVQYUPLSD-OAHLLOKOSA-N -1 0 335.762 3.733 20 0 EHADRM COc1cccc([C@H](C(=O)[O-])N(C)C(=O)Nc2cccc(C)c2C)c1 ZINC000656475696 1020695389 /nfs/dbraw/zinc/69/53/89/1020695389.db2.gz YWSVPZIQYHEGEO-QGZVFWFLSA-N -1 0 342.395 3.602 20 0 EHADRM COc1c(F)cc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1F ZINC000055682805 1020697606 /nfs/dbraw/zinc/69/76/06/1020697606.db2.gz ROPMYWVKQHKSPC-UHFFFAOYSA-N -1 0 341.379 3.898 20 0 EHADRM C[C@H](C1CC1)n1cc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cn1 ZINC000340967425 1020698617 /nfs/dbraw/zinc/69/86/17/1020698617.db2.gz ALINGDOMOPQOCU-SNVBAGLBSA-N -1 0 341.383 3.593 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)C[C@@H](C(=O)[O-])c1ccccc1)[C@H](C)C2 ZINC000656486237 1020707739 /nfs/dbraw/zinc/70/77/39/1020707739.db2.gz WQSSJFMWNDOWOE-DJKXOVBDSA-N -1 0 337.419 3.603 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccccc1COc1ccccc1 ZINC000581380310 1020765981 /nfs/dbraw/zinc/76/59/81/1020765981.db2.gz PHKAQXPEICMMHA-CQSZACIVSA-N -1 0 327.380 3.705 20 0 EHADRM CC(C)c1nc(/C=C\c2cnc(-c3ccccc3)nc2)ncc1C(=O)[O-] ZINC000607010060 1032941824 /nfs/dbraw/zinc/94/18/24/1032941824.db2.gz RJQGQWKUNHLMPR-HJWRWDBZSA-N -1 0 346.390 3.926 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccc(Br)cc2F)c1 ZINC000035347487 1032945886 /nfs/dbraw/zinc/94/58/86/1032945886.db2.gz RVHNFKHYJCCGRP-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM CC(C)n1ccc(CC(=O)Nc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000760427724 1032945906 /nfs/dbraw/zinc/94/59/06/1032945906.db2.gz WHZRZFCONVFLDF-UHFFFAOYSA-N -1 0 328.199 3.658 20 0 EHADRM CC(C)Sc1ccc([C@@H](C)NC(=O)N2CC3CC2(C(=O)[O-])C3)cc1 ZINC000656580120 1020963808 /nfs/dbraw/zinc/96/38/08/1020963808.db2.gz YBSULBJMJWNZBC-WHENESEISA-N -1 0 348.468 3.507 20 0 EHADRM CO[C@H](CS(=O)(=O)[N-]c1ccccc1C(C)(F)F)C1CCCC1 ZINC000656632601 1021066217 /nfs/dbraw/zinc/06/62/17/1021066217.db2.gz YCVBNATZMNVWCK-OAHLLOKOSA-N -1 0 347.427 3.745 20 0 EHADRM COc1ccc(NC(=O)N(CC(=O)[O-])[C@H](C)c2ccccc2)cc1F ZINC000518471011 1021213924 /nfs/dbraw/zinc/21/39/24/1021213924.db2.gz SFWRHZWTKFDTKF-GFCCVEGCSA-N -1 0 346.358 3.514 20 0 EHADRM Cc1nnc(-c2ccc(C(=O)Nc3cccc(Cl)c3[O-])cc2)o1 ZINC000436800089 1021222467 /nfs/dbraw/zinc/22/24/67/1021222467.db2.gz HOWGLKRNCIEDLF-UHFFFAOYSA-N -1 0 329.743 3.656 20 0 EHADRM CCOc1cc(/C=C/c2nc3ccc(C(=O)[O-])cc3o2)ccc1O ZINC000436783805 1021224150 /nfs/dbraw/zinc/22/41/50/1021224150.db2.gz NPUUXDUFTOUMRL-XBXARRHUSA-N -1 0 325.320 3.801 20 0 EHADRM Cc1ccnc([N-]S(=O)(=O)c2cc(Cl)ccc2F)c1C1CC1 ZINC000656738474 1021232837 /nfs/dbraw/zinc/23/28/37/1021232837.db2.gz DWAZKKOAAUAGSP-UHFFFAOYSA-N -1 0 340.807 3.861 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCCc2n[nH]cc21 ZINC000436790803 1021233811 /nfs/dbraw/zinc/23/38/11/1021233811.db2.gz IMCFDHOHVUPXAF-UHFFFAOYSA-N -1 0 327.771 3.515 20 0 EHADRM COCCN(Cc1cccs1)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436792438 1021237772 /nfs/dbraw/zinc/23/77/72/1021237772.db2.gz OGRCPNQFCLRXIU-UHFFFAOYSA-N -1 0 343.807 3.535 20 0 EHADRM COc1ccc2c(c1)CCC[C@H]2CNC(=O)c1ccc([O-])c(Cl)c1 ZINC000436802616 1021249020 /nfs/dbraw/zinc/24/90/20/1021249020.db2.gz JFYXEDVIZASYCS-AWEZNQCLSA-N -1 0 345.826 3.904 20 0 EHADRM COc1ccc2nc(C(=O)Nc3cccc(Cl)c3[O-])ccc2c1 ZINC000436803516 1021249296 /nfs/dbraw/zinc/24/92/96/1021249296.db2.gz POJRLVFVFNAJCG-UHFFFAOYSA-N -1 0 328.755 3.855 20 0 EHADRM O=C([O-])[C@H]1CC[C@H]1C(=O)Nc1c(F)cccc1Oc1ccccc1 ZINC000507424148 1021257965 /nfs/dbraw/zinc/25/79/65/1021257965.db2.gz NVJMXPJKMLYKLF-OLZOCXBDSA-N -1 0 329.327 3.667 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CCOc2cccc(C)c2)c1 ZINC000436829242 1021259158 /nfs/dbraw/zinc/25/91/58/1021259158.db2.gz ATKPAFJMHLEGCM-UHFFFAOYSA-N -1 0 327.380 3.701 20 0 EHADRM CCC[C@H](Cc1ccccc1)N(CCC)C(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000507426981 1021260340 /nfs/dbraw/zinc/26/03/40/1021260340.db2.gz WAAWSQFLENLZPP-KURKYZTESA-N -1 0 331.456 3.747 20 0 EHADRM O=C(NCCCCCc1ccc(F)cc1)c1cc(F)c([O-])c(F)c1 ZINC000436836517 1021269320 /nfs/dbraw/zinc/26/93/20/1021269320.db2.gz ZFDDSBBLZDDBOH-UHFFFAOYSA-N -1 0 337.341 3.952 20 0 EHADRM CCOC(=O)c1cnc(C(C)=Cc2cc3cc(F)ccc3o2)[nH]c1=O ZINC000427271494 1021270279 /nfs/dbraw/zinc/27/02/79/1021270279.db2.gz FUCGCIDQUVZOIJ-UXBLZVDNSA-N -1 0 342.326 3.805 20 0 EHADRM CC(C)Oc1ccccc1CNC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436854145 1021279477 /nfs/dbraw/zinc/27/94/77/1021279477.db2.gz MVVBLUNAJYOCJY-UHFFFAOYSA-N -1 0 337.778 3.902 20 0 EHADRM C[C@H](C1CC1)n1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)cn1 ZINC000187730467 1021292441 /nfs/dbraw/zinc/29/24/41/1021292441.db2.gz OFCSDPJWQQDGHA-CYBMUJFWSA-N -1 0 341.436 3.808 20 0 EHADRM O=C([O-])c1ccc2oc(/C=C\c3cnn(Cc4ccccc4)c3)nc2c1 ZINC000439268034 1021295584 /nfs/dbraw/zinc/29/55/84/1021295584.db2.gz FLXMUIBYOLVLEJ-TWGQIWQCSA-N -1 0 345.358 3.941 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)cc1 ZINC000048582219 1021298317 /nfs/dbraw/zinc/29/83/17/1021298317.db2.gz DDUOBQSKGGUXQA-LSDHHAIUSA-N -1 0 337.441 3.579 20 0 EHADRM COc1cc(NC(=O)c2cc(F)c([O-])c(Cl)c2)cc2cccnc21 ZINC000436862767 1021300376 /nfs/dbraw/zinc/30/03/76/1021300376.db2.gz PIWMEWDJLFIGEK-UHFFFAOYSA-N -1 0 346.745 3.994 20 0 EHADRM O=C([O-])c1cccc(Cl)c1CN1CCOC[C@@H]1c1cccc(F)c1 ZINC000656766047 1021301526 /nfs/dbraw/zinc/30/15/26/1021301526.db2.gz QZPONRLUVSFOCY-QGZVFWFLSA-N -1 0 349.789 3.751 20 0 EHADRM O=C(c1cc(F)cc(Br)c1[O-])N1CCC[C@@H]2CCC[C@H]21 ZINC000436884473 1021335527 /nfs/dbraw/zinc/33/55/27/1021335527.db2.gz DBDQXEMDYMMUCA-TVQRCGJNSA-N -1 0 342.208 3.699 20 0 EHADRM C[C@@H]1CCC[C@H](C)CN1C(=O)c1cc(F)cc(Br)c1[O-] ZINC000436891406 1021347082 /nfs/dbraw/zinc/34/70/82/1021347082.db2.gz XTMZXLRLSVSJIS-VHSXEESVSA-N -1 0 344.224 3.945 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCO[C@@H](C2CCCCC2)C1 ZINC000436909415 1021355380 /nfs/dbraw/zinc/35/53/80/1021355380.db2.gz MUTOUQZHIOMHQP-OAHLLOKOSA-N -1 0 341.810 3.606 20 0 EHADRM [O-]c1ccc(Cl)cc1-c1nc(-c2ccc3c(c2)OCCO3)no1 ZINC000436900008 1021363379 /nfs/dbraw/zinc/36/33/79/1021363379.db2.gz APWCMKKKCYNZKK-UHFFFAOYSA-N -1 0 330.727 3.534 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000669493117 1032973720 /nfs/dbraw/zinc/97/37/20/1032973720.db2.gz KDAOSPHQHPDPDI-UHFFFAOYSA-N -1 0 342.370 3.935 20 0 EHADRM O=C(c1c([O-])cc(Cl)cc1Cl)N1CCCc2occc2C1 ZINC000436930610 1021368336 /nfs/dbraw/zinc/36/83/36/1021368336.db2.gz YRILHPBNMRFMOV-UHFFFAOYSA-N -1 0 326.179 3.881 20 0 EHADRM O=C(NCc1nc(-c2ccccc2)c[nH]1)c1cc(F)c([O-])c(Cl)c1 ZINC000436921773 1021379229 /nfs/dbraw/zinc/37/92/29/1021379229.db2.gz WVSFCTIAFDUPQR-UHFFFAOYSA-N -1 0 345.761 3.505 20 0 EHADRM COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)c1c([O-])cccc1F ZINC000436945707 1021407170 /nfs/dbraw/zinc/40/71/70/1021407170.db2.gz NMHVWUBCNDMKBO-MRXNPFEDSA-N -1 0 329.371 3.690 20 0 EHADRM COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)c1c([O-])cccc1F ZINC000436945704 1021407393 /nfs/dbraw/zinc/40/73/93/1021407393.db2.gz NMHVWUBCNDMKBO-INIZCTEOSA-N -1 0 329.371 3.690 20 0 EHADRM CC1(C)CN(C(=O)c2cc(F)c([O-])c(F)c2)C[C@H]1c1ccccc1 ZINC000436967880 1021414618 /nfs/dbraw/zinc/41/46/18/1021414618.db2.gz REDWDCDCWKGNFH-AWEZNQCLSA-N -1 0 331.362 3.936 20 0 EHADRM CC(=O)Nc1ccc(O)c(-c2nc(-c3ccc4c(c3)CCC4)no2)c1 ZINC000436958150 1021421094 /nfs/dbraw/zinc/42/10/94/1021421094.db2.gz ZSXJHMNXBYHQIX-UHFFFAOYSA-N -1 0 335.363 3.556 20 0 EHADRM Cc1ccc(-c2csc(C(C#N)=C([O-])C=Cc3cnn(C)c3)n2)cc1 ZINC000051150999 1021426595 /nfs/dbraw/zinc/42/65/95/1021426595.db2.gz ADXIISZWBUOMSU-WHWKNOJMSA-N -1 0 348.431 3.742 20 0 EHADRM CC[C@H](CN(CC)C(=O)N=c1[n-]nc(C2CC2)s1)c1ccccc1 ZINC000516443238 1021430678 /nfs/dbraw/zinc/43/06/78/1021430678.db2.gz IGRNNLRWNMZWEI-CYBMUJFWSA-N -1 0 344.484 3.885 20 0 EHADRM O=C(Nc1cc(F)cc(NCC(F)(F)F)c1)c1ccc(F)cc1[O-] ZINC000436983136 1021438095 /nfs/dbraw/zinc/43/80/95/1021438095.db2.gz IYZBZIBZUZGJDL-UHFFFAOYSA-N -1 0 346.255 3.897 20 0 EHADRM CC(C)Cn1cc(NC(=O)c2c([O-])cccc2F)c(C(F)F)n1 ZINC000436989320 1021444649 /nfs/dbraw/zinc/44/46/49/1021444649.db2.gz OBZVLUDIHCEVMH-UHFFFAOYSA-N -1 0 327.306 3.574 20 0 EHADRM COC(=O)c1ccc(-c2nc(CCCc3ccccc3Cl)no2)[nH]1 ZINC000426387401 1021445506 /nfs/dbraw/zinc/44/55/06/1021445506.db2.gz AGORMZDVOWFFLG-UHFFFAOYSA-N -1 0 345.786 3.680 20 0 EHADRM O=C(NCc1ccc2ncccc2c1)c1cc(F)cc(Cl)c1[O-] ZINC000436997809 1021455495 /nfs/dbraw/zinc/45/54/95/1021455495.db2.gz AMRONGQLUFZJGV-UHFFFAOYSA-N -1 0 330.746 3.663 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)N[C@H](C)c2ccccc2)s[n-]1 ZINC000437006491 1021465425 /nfs/dbraw/zinc/46/54/25/1021465425.db2.gz XVCFDJPUPCFEKT-LLVKDONJSA-N -1 0 344.465 3.880 20 0 EHADRM COc1c(Cl)cc([N-]S(=O)(=O)c2ccsc2)cc1Cl ZINC000506603050 1021523503 /nfs/dbraw/zinc/52/35/03/1021523503.db2.gz TZZSXBSWTGLKHW-UHFFFAOYSA-N -1 0 338.237 3.864 20 0 EHADRM C[C@H](CC(=O)N=c1nc(-c2ccsc2)[n-]s1)c1ccccc1 ZINC000518786984 1021560644 /nfs/dbraw/zinc/56/06/44/1021560644.db2.gz KOPNWXRTTCNTQT-LLVKDONJSA-N -1 0 329.450 3.821 20 0 EHADRM CCCCCc1nnc([N-]S(=O)(=O)c2cc(F)ccc2C)s1 ZINC000437172016 1021610955 /nfs/dbraw/zinc/61/09/55/1021610955.db2.gz NFTCLOCWXPBSBS-UHFFFAOYSA-N -1 0 343.449 3.519 20 0 EHADRM CCCCCc1nnc([N-]S(=O)(=O)c2ccc(C)cc2C)s1 ZINC000437178898 1021626908 /nfs/dbraw/zinc/62/69/08/1021626908.db2.gz GYUPWFGMVSOLFF-UHFFFAOYSA-N -1 0 339.486 3.688 20 0 EHADRM CCCc1nnc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)s1 ZINC000437180302 1021627277 /nfs/dbraw/zinc/62/72/77/1021627277.db2.gz CSLHHQHWKBEIBM-UHFFFAOYSA-N -1 0 339.486 3.589 20 0 EHADRM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)o1 ZINC000646175664 1033000003 /nfs/dbraw/zinc/00/00/03/1033000003.db2.gz NPXMRTHLVDRTQX-TTZDDIAXSA-N -1 0 348.443 3.578 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)CCc2ccc(Cl)cc2Cl)C1 ZINC000261941222 1021696092 /nfs/dbraw/zinc/69/60/92/1021696092.db2.gz LJZJYFPXUNYTNZ-MRXNPFEDSA-N -1 0 344.238 3.639 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1nc2c(s1)CCC2(C)C ZINC000519817659 1021702253 /nfs/dbraw/zinc/70/22/53/1021702253.db2.gz GIEBDCKIIPJMTB-UHFFFAOYSA-N -1 0 328.484 3.538 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2)cc1 ZINC000437301736 1021714589 /nfs/dbraw/zinc/71/45/89/1021714589.db2.gz BCYUVSLERXYABJ-UHFFFAOYSA-N -1 0 341.436 3.626 20 0 EHADRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ncc(C(C)(C)C)s1 ZINC000437301360 1021714728 /nfs/dbraw/zinc/71/47/28/1021714728.db2.gz CCESOLAKSDJVJC-UHFFFAOYSA-N -1 0 328.434 3.689 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cn2)cc1 ZINC000437302856 1021717542 /nfs/dbraw/zinc/71/75/42/1021717542.db2.gz GFEKYHGLDFDATD-UHFFFAOYSA-N -1 0 331.224 3.752 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)[C@H]2C[C@@H]2C2CCCC2)c1 ZINC000593695395 1033007865 /nfs/dbraw/zinc/00/78/65/1033007865.db2.gz NJGLEOFJSHUVNB-CVEARBPZSA-N -1 0 333.453 3.769 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1 ZINC000439927319 1021832318 /nfs/dbraw/zinc/83/23/18/1021832318.db2.gz FFYWOXFMWSOPBP-UHFFFAOYSA-N -1 0 342.782 3.940 20 0 EHADRM O=S(=O)([N-]c1cnn(-c2ccccc2)c1)c1ccc2ccccc2c1 ZINC000519993714 1021841367 /nfs/dbraw/zinc/84/13/67/1021841367.db2.gz JRGGUMNKYIRADT-UHFFFAOYSA-N -1 0 349.415 3.826 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)c(F)c1 ZINC000519150848 1021896656 /nfs/dbraw/zinc/89/66/56/1021896656.db2.gz RKQSNOWSZUCJJT-CQSZACIVSA-N -1 0 347.333 3.716 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)c2ccc(N(CC)C(C)C)cc2)s1 ZINC000520079359 1021915821 /nfs/dbraw/zinc/91/58/21/1021915821.db2.gz CFOOWZDOGSZHAP-UHFFFAOYSA-N -1 0 346.500 3.790 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2CCC[C@H]2c2cccc(C)c2C)s1 ZINC000437557259 1021941937 /nfs/dbraw/zinc/94/19/37/1021941937.db2.gz KBCZHXXUDZRBLS-HNNXBMFYSA-N -1 0 344.484 3.898 20 0 EHADRM COc1ccc2occ(C(=O)N=c3ccc(-c4ccccc4)n[n-]3)c2c1 ZINC000441071243 1021968976 /nfs/dbraw/zinc/96/89/76/1021968976.db2.gz WSBIYBZTLVWIEY-UHFFFAOYSA-N -1 0 345.358 3.573 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)Nc1ccc(OCCC(C)C)cc1)C1CC1 ZINC000517068867 1021996301 /nfs/dbraw/zinc/99/63/01/1021996301.db2.gz RRCWBODHQOVZMB-QGZVFWFLSA-N -1 0 348.443 3.971 20 0 EHADRM CCc1cccc(Oc2ccc([N-]S(=O)(=O)c3ccco3)cn2)c1 ZINC000437664285 1022027353 /nfs/dbraw/zinc/02/73/53/1022027353.db2.gz UQXASVAFFQYROD-UHFFFAOYSA-N -1 0 344.392 3.830 20 0 EHADRM O=S(=O)([N-]c1n[nH]c2cccc(F)c21)c1csc2ccccc21 ZINC000506806804 1022050252 /nfs/dbraw/zinc/05/02/52/1022050252.db2.gz PHZOQGMOUCBSGI-UHFFFAOYSA-N -1 0 347.396 3.718 20 0 EHADRM O=C([O-])c1ccc2c(c1)N(C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)CC2 ZINC000326365380 1022093795 /nfs/dbraw/zinc/09/37/95/1022093795.db2.gz SVSXWEDVCQPASS-AAEUAGOBSA-N -1 0 341.329 3.643 20 0 EHADRM O=C([O-])c1csc(CNCc2ccc(-c3ccccc3)cc2F)n1 ZINC000426639988 1022123862 /nfs/dbraw/zinc/12/38/62/1022123862.db2.gz PQVPCMJXKBTLED-UHFFFAOYSA-N -1 0 342.395 3.937 20 0 EHADRM O=Cc1ccc(-c2ccc(O)c(C(=O)N3CCC[C@H]4CCC[C@@H]43)c2)o1 ZINC000933568691 1022175478 /nfs/dbraw/zinc/17/54/78/1022175478.db2.gz SOXNKCUUIHHLDW-DYVFJYSZSA-N -1 0 339.391 3.869 20 0 EHADRM O=C(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)c1c([O-])cc(F)cc1F ZINC000607191221 1033035696 /nfs/dbraw/zinc/03/56/96/1033035696.db2.gz ZJOSIEYRBMCLEH-PRHODGIISA-N -1 0 341.716 3.749 20 0 EHADRM C[C@H](c1ccccc1)[C@H](C)NC(=O)N=c1[n-]nc(C(C)(C)C)s1 ZINC000473625087 1022269486 /nfs/dbraw/zinc/26/94/86/1022269486.db2.gz BTDUBXQVBARVEJ-RYUDHWBXSA-N -1 0 332.473 3.571 20 0 EHADRM C[C@@H](NC(=O)N=c1[n-]nc(-c2ccco2)s1)[C@@H](C)c1ccccc1 ZINC000473628302 1022279038 /nfs/dbraw/zinc/27/90/38/1022279038.db2.gz JGUDEEZWLVGWLL-VXGBXAGGSA-N -1 0 342.424 3.534 20 0 EHADRM CC(C)[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c2ccccc21 ZINC000517376612 1022293891 /nfs/dbraw/zinc/29/38/91/1022293891.db2.gz CKKKTERYPBEAEE-LTCOOKNTSA-N -1 0 329.440 3.878 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)C[C@H]3CC3(C)C)n2)c1 ZINC001167971308 1022392692 /nfs/dbraw/zinc/39/26/92/1022392692.db2.gz ALILGQUWBWIFLS-OAHLLOKOSA-N -1 0 341.455 3.819 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21)C1CC1 ZINC000581921714 1022405317 /nfs/dbraw/zinc/40/53/17/1022405317.db2.gz SIBSUEBDPJOYGZ-GJZGRUSLSA-N -1 0 348.443 3.639 20 0 EHADRM CC(C)c1n[n-]c(=N[C@H]2C[C@H](c3ccc(Br)cc3)C2)o1 ZINC000581925161 1022414496 /nfs/dbraw/zinc/41/44/96/1022414496.db2.gz VTDVOLZQOBCCKO-AULYBMBSSA-N -1 0 336.233 3.736 20 0 EHADRM COc1ccc(C(=O)[O-])cc1NCc1csc(Br)c1 ZINC000111310938 1022475016 /nfs/dbraw/zinc/47/50/16/1022475016.db2.gz OVRANEGXCOPWKJ-UHFFFAOYSA-N -1 0 342.214 3.830 20 0 EHADRM O=C(N=c1nc(-c2cccnc2)[n-]s1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000328782242 1022500436 /nfs/dbraw/zinc/50/04/36/1022500436.db2.gz GCEPOJIMTFBLJM-MELADBBJSA-N -1 0 342.468 3.567 20 0 EHADRM CC[C@@H]1CC[C@@H](C(=O)Nc2cc(Br)cc(Cl)c2[O-])O1 ZINC000330516524 1022594240 /nfs/dbraw/zinc/59/42/40/1022594240.db2.gz WNCNTINVUXKCND-KCJUWKMLSA-N -1 0 348.624 3.704 20 0 EHADRM COc1cc(C(=O)Nc2nc(C)ccc2O)ccc1OC1CCCC1 ZINC000345982588 1022622725 /nfs/dbraw/zinc/62/27/25/1022622725.db2.gz KZLWSVPNXQLCFK-UHFFFAOYSA-N -1 0 342.395 3.678 20 0 EHADRM CCC[C@@H]1CCc2nc([N-]S(=O)(=O)c3ccsc3)sc2C1 ZINC000506852176 1022629862 /nfs/dbraw/zinc/62/98/62/1022629862.db2.gz UHAPFSILTWGVEO-SNVBAGLBSA-N -1 0 342.511 3.910 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000517770554 1022636029 /nfs/dbraw/zinc/63/60/29/1022636029.db2.gz WMKNWKLHHLQGRV-OCCSQVGLSA-N -1 0 332.400 3.601 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])NC(=O)c2ccc3ccccc3c2)c1 ZINC000145491833 1033070311 /nfs/dbraw/zinc/07/03/11/1033070311.db2.gz KIHJUAMDLGDECP-LJQANCHMSA-N -1 0 349.386 3.794 20 0 EHADRM CC(C)N(C)c1ccccc1CNC(=O)c1ccc([O-])c(Cl)c1 ZINC000438470957 1022682455 /nfs/dbraw/zinc/68/24/55/1022682455.db2.gz ANVIIXZPDYMTIM-UHFFFAOYSA-N -1 0 332.831 3.820 20 0 EHADRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2F)s1 ZINC000049135692 1022700586 /nfs/dbraw/zinc/70/05/86/1022700586.db2.gz FHFWAMCGAKLZIU-UHFFFAOYSA-N -1 0 333.793 3.543 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCCCC(C)(C)C2)n1 ZINC000438513421 1022734378 /nfs/dbraw/zinc/73/43/78/1022734378.db2.gz ZIDXHSCJIUHCPY-UHFFFAOYSA-N -1 0 345.418 3.678 20 0 EHADRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(C)c(C)s2)c1C ZINC000331112139 1022748056 /nfs/dbraw/zinc/74/80/56/1022748056.db2.gz TYUWLIFXTQXCBF-SNVBAGLBSA-N -1 0 327.475 3.642 20 0 EHADRM CCc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)s1 ZINC000048518947 1022790801 /nfs/dbraw/zinc/79/08/01/1022790801.db2.gz VLLLSBWRCVAQAT-UHFFFAOYSA-N -1 0 329.830 3.657 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)C[C@@H]1CCc2ccccc2C1 ZINC000262090760 1022823985 /nfs/dbraw/zinc/82/39/85/1022823985.db2.gz CNDPNGUSIDPUSZ-MRXNPFEDSA-N -1 0 331.456 3.723 20 0 EHADRM C[C@H]1C[C@@H](CCNC(=O)c2ccc(Cl)c(Cl)c2[O-])CCO1 ZINC000334087772 1022849281 /nfs/dbraw/zinc/84/92/81/1022849281.db2.gz RGXSBWPTPRSFGX-UWVGGRQHSA-N -1 0 332.227 3.634 20 0 EHADRM Cc1cc(N2CCCC2)ccc1NC(=O)c1c([O-])cc(F)cc1F ZINC000127369410 1022862186 /nfs/dbraw/zinc/86/21/86/1022862186.db2.gz YXFKUQHSKICMHN-UHFFFAOYSA-N -1 0 332.350 3.831 20 0 EHADRM C[C@H]1CCC[C@H](CNC(=O)N=c2[n-]nc(-c3ccsc3)s2)C1 ZINC000510670355 1022867530 /nfs/dbraw/zinc/86/75/30/1022867530.db2.gz WUSAIKMUNNLELJ-QWRGUYRKSA-N -1 0 336.486 3.636 20 0 EHADRM CCn1c2ccc(C(=O)[O-])cc2nc1C[N@H+]([C@@H](C)C1CC1)C1CC1 ZINC000574405556 1033091546 /nfs/dbraw/zinc/09/15/46/1033091546.db2.gz AEUKDRGRPGTEIB-LBPRGKRZSA-N -1 0 327.428 3.517 20 0 EHADRM Cc1cc(C(=O)Nc2cc(Cl)cc(Br)c2[O-])co1 ZINC000188931491 1022933271 /nfs/dbraw/zinc/93/32/71/1022933271.db2.gz VYUVABSXYNPUGE-UHFFFAOYSA-N -1 0 330.565 3.962 20 0 EHADRM CCOCc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000438724864 1022955428 /nfs/dbraw/zinc/95/54/28/1022955428.db2.gz PJILUKXBWUCFGI-UHFFFAOYSA-N -1 0 343.807 3.816 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1O ZINC000438760571 1022975210 /nfs/dbraw/zinc/97/52/10/1022975210.db2.gz XIIYRPNLVZFGJI-UHFFFAOYSA-N -1 0 337.344 3.582 20 0 EHADRM O=C([O-])[C@H](NCc1cc2ccc(F)cc2[nH]1)c1c(F)cccc1F ZINC000426730997 1023000659 /nfs/dbraw/zinc/00/06/59/1023000659.db2.gz CCBONSJASVZWPA-MRXNPFEDSA-N -1 0 334.297 3.501 20 0 EHADRM O=C([O-])[C@@H](NCc1cc(Cl)ccc1F)c1c(F)cccc1F ZINC000426731704 1023001859 /nfs/dbraw/zinc/00/18/59/1023001859.db2.gz FXXFACQAQFSFSE-AWEZNQCLSA-N -1 0 329.705 3.673 20 0 EHADRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000438791647 1023008048 /nfs/dbraw/zinc/00/80/48/1023008048.db2.gz NQQFLEHBRWHCEM-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CC(C)Cc1ncc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)s1 ZINC000426744056 1023011710 /nfs/dbraw/zinc/01/17/10/1023011710.db2.gz BVURIJWTHDNLCE-HNNXBMFYSA-N -1 0 338.860 3.911 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)Nc2cccc(Br)c2)c1 ZINC000476279532 1033094534 /nfs/dbraw/zinc/09/45/34/1033094534.db2.gz TZPLGUMSDWUTRM-UHFFFAOYSA-N -1 0 344.205 3.697 20 0 EHADRM CO[C@@H](C)c1nc(=NCC2(c3ccc(F)cc3Cl)CC2)s[n-]1 ZINC000509547848 1023024436 /nfs/dbraw/zinc/02/44/36/1023024436.db2.gz BXEYXZHXVBEZQZ-VIFPVBQESA-N -1 0 341.839 3.604 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])[NH2+]Cc2cc3c(ccc(C)c3C)[nH]2)o1 ZINC000426769012 1023033011 /nfs/dbraw/zinc/03/30/11/1023033011.db2.gz FELICFFCMJJWRN-KRWDZBQOSA-N -1 0 326.396 3.992 20 0 EHADRM O=C([O-])[C@@H](NCc1csc(-c2ccsc2)n1)c1ccc(F)cc1 ZINC000426772227 1023035309 /nfs/dbraw/zinc/03/53/09/1023035309.db2.gz CJIAARPQYFCWTA-AWEZNQCLSA-N -1 0 348.424 3.926 20 0 EHADRM Cc1ccc([C@H]2OCCC[C@@H]2N=c2[n-]nc(C(F)(F)F)s2)cc1 ZINC000509543759 1023036869 /nfs/dbraw/zinc/03/68/69/1023036869.db2.gz UQJGEIGOJLWHQM-NWDGAFQWSA-N -1 0 343.374 3.619 20 0 EHADRM COc1ccc(C[C@H](C)CNC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000089912297 1023042782 /nfs/dbraw/zinc/04/27/82/1023042782.db2.gz GJAVKBGIEGQXLA-LBPRGKRZSA-N -1 0 333.815 3.663 20 0 EHADRM O=C([O-])[C@H](NCc1ccc(-c2ccncc2)cc1F)c1ccsc1 ZINC000426784853 1023043260 /nfs/dbraw/zinc/04/32/60/1023043260.db2.gz TYXLBEJPRPOMLY-QGZVFWFLSA-N -1 0 342.395 3.865 20 0 EHADRM Cc1ccc2[nH]c(CN[C@H](C(=O)[O-])c3ccccc3F)cc2c1C ZINC000426766872 1023044269 /nfs/dbraw/zinc/04/42/69/1023044269.db2.gz HQKBCXGHSZKBFZ-SFHVURJKSA-N -1 0 326.371 3.839 20 0 EHADRM O=C([O-])[C@H](NCc1cnc(-c2ccsc2)s1)c1ccsc1 ZINC000426795709 1023051640 /nfs/dbraw/zinc/05/16/40/1023051640.db2.gz ZDCQVBXOZOVFFL-GFCCVEGCSA-N -1 0 336.463 3.849 20 0 EHADRM O=S(=O)([O-])c1cccc2cc(Nc3cc(F)nc(F)c3)ccc21 ZINC001213082605 1023107574 /nfs/dbraw/zinc/10/75/74/1023107574.db2.gz OSFOTAKLTOGBHV-UHFFFAOYSA-N -1 0 336.319 3.503 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N(C)Cc2ccccc2C)n1 ZINC000438900666 1023133402 /nfs/dbraw/zinc/13/34/02/1023133402.db2.gz HKRGUTXMMPBKMJ-UHFFFAOYSA-N -1 0 349.434 3.721 20 0 EHADRM CC(C)Cc1ccc(CC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000262100838 1023143797 /nfs/dbraw/zinc/14/37/97/1023143797.db2.gz CIACDILQXQDMRY-SFHVURJKSA-N -1 0 331.456 3.531 20 0 EHADRM CSCc1cc(F)ccc1CNC(=O)c1c([O-])cc(F)cc1F ZINC000610674892 1023172828 /nfs/dbraw/zinc/17/28/28/1023172828.db2.gz YSBGAPATDXBMOY-UHFFFAOYSA-N -1 0 341.354 3.603 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@@H]2CC[C@H](c3ccccc3F)C2)s1 ZINC000431065371 1023187431 /nfs/dbraw/zinc/18/74/31/1023187431.db2.gz IRGIJUMITULQGJ-NWDGAFQWSA-N -1 0 348.447 3.509 20 0 EHADRM O=C(Nc1ccc(Oc2ccncc2)c(Cl)c1)c1ncccc1[O-] ZINC000427104483 1023215656 /nfs/dbraw/zinc/21/56/56/1023215656.db2.gz ZYXKCSRIMYGGBW-UHFFFAOYSA-N -1 0 341.754 3.880 20 0 EHADRM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2nc(C)sc2c1 ZINC000427133733 1023233632 /nfs/dbraw/zinc/23/36/32/1023233632.db2.gz RIRNFJHHTBJLAF-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1sc(C)cc1C ZINC000431147316 1023339107 /nfs/dbraw/zinc/33/91/07/1023339107.db2.gz UFNZRQAEEFTJBQ-UHFFFAOYSA-N -1 0 331.846 3.828 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)s1 ZINC000431165423 1023367548 /nfs/dbraw/zinc/36/75/48/1023367548.db2.gz DLRNDPKUIJYWOE-UHFFFAOYSA-N -1 0 339.467 3.617 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1cccc2nccnc21 ZINC000317710225 1023403315 /nfs/dbraw/zinc/40/33/15/1023403315.db2.gz FFWDCFGLMLKBCX-UHFFFAOYSA-N -1 0 334.162 3.895 20 0 EHADRM CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)CC)c2)c(C)c1 ZINC000132593341 1023427099 /nfs/dbraw/zinc/42/70/99/1023427099.db2.gz ANCJQYUIUCXKHC-UHFFFAOYSA-N -1 0 347.436 3.787 20 0 EHADRM COc1c(O)cccc1/C=C(\CC(=O)[O-])c1nc2ccccc2o1 ZINC000341873483 1023503756 /nfs/dbraw/zinc/50/37/56/1023503756.db2.gz ZJWGEJNBSYWREM-FMIVXFBMSA-N -1 0 325.320 3.557 20 0 EHADRM CC(C)(CCC(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21)c1ccccc1 ZINC000431218900 1023531794 /nfs/dbraw/zinc/53/17/94/1023531794.db2.gz XFRHZGYCNZUCFB-NJAFHUGGSA-N -1 0 343.467 3.989 20 0 EHADRM CC(C)c1ccc(CNC(=O)N=c2[n-]nc(-c3ccco3)s2)cc1 ZINC000510954933 1023533004 /nfs/dbraw/zinc/53/30/04/1023533004.db2.gz VZWSGMMHZUQHMM-UHFFFAOYSA-N -1 0 342.424 3.665 20 0 EHADRM COc1ccnc2c([N-]S(=O)(=O)c3cccc(Cl)c3)cccc12 ZINC000535765769 1023614415 /nfs/dbraw/zinc/61/44/15/1023614415.db2.gz PKNJWARAQXQUSR-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM COc1ccnc2c([N-]S(=O)(=O)c3ccc(C)cc3C)cccc12 ZINC000535767278 1023618323 /nfs/dbraw/zinc/61/83/23/1023618323.db2.gz CCSUBHYQIIRZSF-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM O=[N+]([O-])c1ccc([O-])c(/C=N/CCc2ccc(C(F)(F)F)cc2)c1 ZINC000022768514 1023624342 /nfs/dbraw/zinc/62/43/42/1023624342.db2.gz LYXCEESVPXHPCJ-KEBDBYFISA-N -1 0 338.285 3.981 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)sc1C ZINC000471976539 1023664547 /nfs/dbraw/zinc/66/45/47/1023664547.db2.gz FYYFJEIGQQSCHO-UHFFFAOYSA-N -1 0 335.809 3.664 20 0 EHADRM Cc1cc(Cl)ccc1S(=O)(=O)Nc1cccc(-n2ccnc2)c1 ZINC000342060960 1023812185 /nfs/dbraw/zinc/81/21/85/1023812185.db2.gz MXWGIXRLDRKPDO-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccccc2)cn1)c1c(F)cccc1F ZINC000598371358 1033165370 /nfs/dbraw/zinc/16/53/70/1033165370.db2.gz RUWCTQNISKHNFU-UHFFFAOYSA-N -1 0 346.358 3.828 20 0 EHADRM O=C([N-]c1c(F)cc(Cl)cc1F)c1cc(-c2ccccn2)no1 ZINC000342093863 1023911693 /nfs/dbraw/zinc/91/16/93/1023911693.db2.gz NCPGGWPZZTXIJJ-UHFFFAOYSA-N -1 0 335.697 3.921 20 0 EHADRM CC(C)c1csc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)n1 ZINC000535894974 1023975461 /nfs/dbraw/zinc/97/54/61/1023975461.db2.gz MYQOKUXBZRKNPF-UHFFFAOYSA-N -1 0 334.825 3.860 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N(Cc2cccs2)C(C)C)s1 ZINC000513942807 1023988034 /nfs/dbraw/zinc/98/80/34/1023988034.db2.gz UBMLMVVOHRKFKO-UHFFFAOYSA-N -1 0 338.502 3.807 20 0 EHADRM C[C@H](CNC(=O)c1cc(O)ccc1Cl)COCc1ccccc1 ZINC000290000275 1023996182 /nfs/dbraw/zinc/99/61/82/1023996182.db2.gz PLHPZGDBBYMCOQ-CYBMUJFWSA-N -1 0 333.815 3.628 20 0 EHADRM Cc1oc(CNC(=O)[C@H](C)CCCc2ccccc2)cc1C(=O)[O-] ZINC000190922597 1023996277 /nfs/dbraw/zinc/99/62/77/1023996277.db2.gz LDASVSXHMAKHQS-CYBMUJFWSA-N -1 0 329.396 3.561 20 0 EHADRM Cc1cccc(C)c1/C=C1/CCn2c1nc1cc(C(=O)[O-])ccc1c2=O ZINC000535905827 1024048090 /nfs/dbraw/zinc/04/80/90/1024048090.db2.gz LKSIHFXZVBEARP-UVTDQMKNSA-N -1 0 346.386 3.656 20 0 EHADRM Cc1[n-]n(-c2cc(C)ccc2C)c(=O)c1C(=O)Nc1cccc(C)c1 ZINC000505423244 1024053187 /nfs/dbraw/zinc/05/31/87/1024053187.db2.gz TXMWCTLAMWWOEW-SFHVURJKSA-N -1 0 335.407 3.589 20 0 EHADRM COCCOCc1cccc(-c2cccc(CCCC(=O)[O-])c2)c1 ZINC000657202974 1024067316 /nfs/dbraw/zinc/06/73/16/1024067316.db2.gz FODPZMROQNHNAZ-UHFFFAOYSA-N -1 0 328.408 3.924 20 0 EHADRM Cc1ccc(SCC(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000191400719 1024084283 /nfs/dbraw/zinc/08/42/83/1024084283.db2.gz LPJABQLXIVTPST-CQSZACIVSA-N -1 0 343.448 3.989 20 0 EHADRM O=C([O-])[C@@H]1CCO[C@H]1c1cncc(-c2ccccc2C(F)(F)F)c1 ZINC000657204711 1024087821 /nfs/dbraw/zinc/08/78/21/1024087821.db2.gz OYGJCGWCLYMPSZ-HIFRSBDPSA-N -1 0 337.297 3.930 20 0 EHADRM Cc1ccc(-c2cc(F)ccc2OCC2CCOCC2)nc1C(=O)[O-] ZINC000657204784 1024095941 /nfs/dbraw/zinc/09/59/41/1024095941.db2.gz JCXROVGXACWLJP-UHFFFAOYSA-N -1 0 345.370 3.700 20 0 EHADRM COCc1cc(-c2cc(CCC(=O)[O-])ccc2OC)ccc1OC ZINC000657204434 1024103417 /nfs/dbraw/zinc/10/34/17/1024103417.db2.gz MZRMBABMSSXKQH-UHFFFAOYSA-N -1 0 330.380 3.534 20 0 EHADRM Cc1ccc(-c2[n-][nH]c(=NC(=O)c3csc(C(C)(C)C)n3)c2C)o1 ZINC000434502340 1024104447 /nfs/dbraw/zinc/10/44/47/1024104447.db2.gz CXKDFTSAYIDUKE-UHFFFAOYSA-N -1 0 344.440 3.715 20 0 EHADRM COc1c(-c2ccc(O[C@H]3CCOC3)c(C)c2)ccc(F)c1C(=O)[O-] ZINC000657204362 1024105321 /nfs/dbraw/zinc/10/53/21/1024105321.db2.gz FTSYTVQURNYSQB-ZDUSSCGKSA-N -1 0 346.354 3.676 20 0 EHADRM C[C@H](CC(=O)N[C@@H](CC1CC1)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000262191862 1024110758 /nfs/dbraw/zinc/11/07/58/1024110758.db2.gz IBCDDGYEXOIXSG-YGRLFVJLSA-N -1 0 343.345 3.569 20 0 EHADRM COC[C@@H](C)Oc1cccc(-c2ccccc2[C@H](OC)C(=O)[O-])c1 ZINC000657205354 1024112299 /nfs/dbraw/zinc/11/22/99/1024112299.db2.gz RRFXJCUJJPWTCP-ACJLOTCBSA-N -1 0 330.380 3.539 20 0 EHADRM Cc1ccc(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)cc1C ZINC000191528333 1024118561 /nfs/dbraw/zinc/11/85/61/1024118561.db2.gz MPZALMUBXLRTLZ-GOSISDBHSA-N -1 0 325.408 3.509 20 0 EHADRM O=C([O-])[C@@H]1CCc2cc(-c3ccc(C(F)(F)F)cc3CO)ccc21 ZINC000657207463 1024130275 /nfs/dbraw/zinc/13/02/75/1024130275.db2.gz MFXQCPRYBXENDD-MRXNPFEDSA-N -1 0 336.309 3.979 20 0 EHADRM COCCCOc1ccc(-c2ccc(C)c(C(=O)[O-])c2OC)cc1 ZINC000657207587 1024130473 /nfs/dbraw/zinc/13/04/73/1024130473.db2.gz VYGKCDJPAGDWSC-UHFFFAOYSA-N -1 0 330.380 3.784 20 0 EHADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)CCCc1ccc(C(C)(C)C)cc1 ZINC000785094970 1024134947 /nfs/dbraw/zinc/13/49/47/1024134947.db2.gz XWTCQZMPDVFKQQ-AWEZNQCLSA-N -1 0 339.501 3.551 20 0 EHADRM Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C(=O)Nc1cccc(C)c1 ZINC000505431883 1024153691 /nfs/dbraw/zinc/15/36/91/1024153691.db2.gz BFJJWNPPIORQJE-SFHVURJKSA-N -1 0 335.407 3.589 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@H](C)OCCc1ccccc1 ZINC000909512109 1024187158 /nfs/dbraw/zinc/18/71/58/1024187158.db2.gz BCNGYEVIXHXAAY-HNNXBMFYSA-N -1 0 341.407 3.588 20 0 EHADRM O=C([O-])c1cc(F)c(F)cc1C(=O)N1CCC[C@@H]1c1cccs1 ZINC000321491381 1024267159 /nfs/dbraw/zinc/26/71/59/1024267159.db2.gz KJXPPYTUEPPXOA-CYBMUJFWSA-N -1 0 337.347 3.702 20 0 EHADRM O=C([N-]OC/C=C/Cl)/C(F)=C/c1ccc(F)c(C(F)(F)F)c1 ZINC001141763148 1024270494 /nfs/dbraw/zinc/27/04/94/1024270494.db2.gz IRGSRBZSUWBRGC-IWGJUVEUSA-N -1 0 341.663 3.955 20 0 EHADRM CC(C)CC1(C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)CCCC1 ZINC000563143347 1024310340 /nfs/dbraw/zinc/31/03/40/1024310340.db2.gz QRILAAGOEOSWCP-MSOLQXFVSA-N -1 0 343.467 3.920 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N2CCC(C)(CC(C)C)CC2)s1 ZINC000520650403 1024342435 /nfs/dbraw/zinc/34/24/35/1024342435.db2.gz VAFXXFXDIFWJLP-UHFFFAOYSA-N -1 0 342.534 3.752 20 0 EHADRM CC(C)[C@H]1CCC[C@@H](NC(=O)N=c2[n-]nc(C(F)F)s2)CC1 ZINC000469656908 1024419764 /nfs/dbraw/zinc/41/97/64/1024419764.db2.gz VDNYTXNDKCJLBE-VHSXEESVSA-N -1 0 332.420 3.624 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)N1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000425228570 1024463076 /nfs/dbraw/zinc/46/30/76/1024463076.db2.gz ANYGHTNLILVBQV-JXFKEZNVSA-N -1 0 331.456 3.523 20 0 EHADRM C[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000425235398 1024473303 /nfs/dbraw/zinc/47/33/03/1024473303.db2.gz CXYCMFDBWSVWGN-ZYHUDNBSSA-N -1 0 325.792 3.568 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cc1C(F)(F)F)c1cccs1 ZINC000033891682 1024512292 /nfs/dbraw/zinc/51/22/92/1024512292.db2.gz DKJVTWLMAUYYNM-UHFFFAOYSA-N -1 0 325.308 3.707 20 0 EHADRM CC(C)(C)n1cc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cn1 ZINC000065834000 1024552441 /nfs/dbraw/zinc/55/24/41/1024552441.db2.gz QDZCWJWDDXFYFH-UHFFFAOYSA-N -1 0 348.255 3.746 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000277310744 1024556305 /nfs/dbraw/zinc/55/63/05/1024556305.db2.gz SRJCAOBSVNZQTB-UHFFFAOYSA-N -1 0 345.361 3.946 20 0 EHADRM CC(C)(C(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1Cl ZINC000262235855 1024561553 /nfs/dbraw/zinc/56/15/53/1024561553.db2.gz PPKBCAXVCWZMBV-CYBMUJFWSA-N -1 0 337.847 3.721 20 0 EHADRM CCSc1cc(CNC(=O)CCCc2ccc(O)c(F)c2)ccn1 ZINC000346273423 1024563909 /nfs/dbraw/zinc/56/39/09/1024563909.db2.gz DIMMRAMPIKOBTD-UHFFFAOYSA-N -1 0 348.443 3.677 20 0 EHADRM C[C@H](C(=O)N1CCc2ccc(C(=O)[O-])cc2C1)c1cccc(Cl)c1 ZINC000262134478 1024593632 /nfs/dbraw/zinc/59/36/32/1024593632.db2.gz HUMWROQUZDEZAW-LBPRGKRZSA-N -1 0 343.810 3.727 20 0 EHADRM O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)c2ccc3c(c2)CCC=C3)C1 ZINC000514675862 1024649897 /nfs/dbraw/zinc/64/98/97/1024649897.db2.gz YRBGGKGKSOUOBY-JOCHJYFZSA-N -1 0 347.414 3.515 20 0 EHADRM CCCCOc1ccc(C(=O)N[C@H](C)CCC(=O)[O-])c(Cl)c1 ZINC000909452273 1024672657 /nfs/dbraw/zinc/67/26/57/1024672657.db2.gz YFVTWZZTQGRBQK-LLVKDONJSA-N -1 0 327.808 3.502 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])[C@@H]1COc2ccccc2C1 ZINC000317823198 1024681795 /nfs/dbraw/zinc/68/17/95/1024681795.db2.gz OMDAYAUVSNWIRC-JTQLQIEISA-N -1 0 338.190 3.889 20 0 EHADRM COCc1cc(NC(=O)CCc2cc(C)cc(C)c2)cc(C(=O)[O-])c1 ZINC000427676079 1024725705 /nfs/dbraw/zinc/72/57/05/1024725705.db2.gz CZDOMWCOZFCJHG-UHFFFAOYSA-N -1 0 341.407 3.719 20 0 EHADRM CCCC[C@H](CC)CC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000427681081 1024730186 /nfs/dbraw/zinc/73/01/86/1024730186.db2.gz AYLXYZBFDOKLDG-RYQLBKOJSA-N -1 0 331.456 3.920 20 0 EHADRM COCc1cc(NC(=O)[C@H](C)Sc2ccccc2)cc(C(=O)[O-])c1 ZINC000427691642 1024736822 /nfs/dbraw/zinc/73/68/22/1024736822.db2.gz VUPNCEUAFHRKTB-LBPRGKRZSA-N -1 0 345.420 3.651 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2csc3ccccc32)cc2n[nH]cc21 ZINC000507894475 1024756829 /nfs/dbraw/zinc/75/68/29/1024756829.db2.gz PDGDRKVJNYXNLC-UHFFFAOYSA-N -1 0 343.433 3.887 20 0 EHADRM CCC(CC)n1ncc(C(=O)NCCCCCCCC(=O)[O-])c1C ZINC000277364607 1024761778 /nfs/dbraw/zinc/76/17/78/1024761778.db2.gz BTOXXUCOQDPHDN-UHFFFAOYSA-N -1 0 337.464 3.708 20 0 EHADRM Cc1cccc(S([O-])=CC(=O)N[C@H](C)c2ccc(Cl)cc2)c1 ZINC000108103163 1024762412 /nfs/dbraw/zinc/76/24/12/1024762412.db2.gz HJZSVJDYVSCKCH-DMZKTXOQSA-N -1 0 335.856 3.633 20 0 EHADRM C[C@](CNC(=O)[C@@H]1CCCC[C@H]1C1CC1)(C(=O)[O-])c1ccc(F)cc1 ZINC000514862986 1024795774 /nfs/dbraw/zinc/79/57/74/1024795774.db2.gz LPNUPVAXRISYSB-SQGPQFPESA-N -1 0 347.430 3.501 20 0 EHADRM O=C(NCCCc1c[nH]c2ccccc12)c1c([O-])cc(F)cc1F ZINC000594175805 1033236149 /nfs/dbraw/zinc/23/61/49/1033236149.db2.gz BLLFERXDOUDRPH-UHFFFAOYSA-N -1 0 330.334 3.514 20 0 EHADRM O=S(=O)([N-]c1ccc2c(Cl)cccc2n1)c1ccc(F)cc1 ZINC000508072991 1024886094 /nfs/dbraw/zinc/88/60/94/1024886094.db2.gz IDCJDBOHTMAMDH-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(C2CCCC2)[nH]n1 ZINC000474407871 1024912966 /nfs/dbraw/zinc/91/29/66/1024912966.db2.gz DBCFBRORUWSGQY-UHFFFAOYSA-N -1 0 339.848 3.830 20 0 EHADRM CC(C)C[C@H](NC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000684715721 1024917807 /nfs/dbraw/zinc/91/78/07/1024917807.db2.gz VBLILRKPPNBQOQ-RNCFNFMXSA-N -1 0 347.242 3.853 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)[nH]n2)s1 ZINC000474417386 1024920561 /nfs/dbraw/zinc/92/05/61/1024920561.db2.gz WVTOHFNQPMUCKF-UHFFFAOYSA-N -1 0 325.459 3.628 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N=c3[n-]nc(-c4ccccc4)s3)cc2c1 ZINC000514996354 1024951404 /nfs/dbraw/zinc/95/14/04/1024951404.db2.gz QHODVQHMDUGACH-UHFFFAOYSA-N -1 0 334.404 3.669 20 0 EHADRM Cc1ccccc1[C@@H]1CCN(C(=O)N=c2[n-]nc(C(C)(C)C)s2)C1 ZINC000508260894 1024992546 /nfs/dbraw/zinc/99/25/46/1024992546.db2.gz UZBCQWDNJAKIQE-CYBMUJFWSA-N -1 0 344.484 3.587 20 0 EHADRM CCCc1nc(=NC(=O)N[C@H](C)c2oc3ccccc3c2C)s[n-]1 ZINC000515095250 1025016832 /nfs/dbraw/zinc/01/68/32/1025016832.db2.gz FJAHRKOHXMPBEP-LLVKDONJSA-N -1 0 344.440 3.850 20 0 EHADRM O=C([N-]c1nnc(-c2ccsc2)s1)c1c(F)cc(F)cc1F ZINC000151996056 1025058565 /nfs/dbraw/zinc/05/85/65/1025058565.db2.gz ZQFMLZWHIMLSBM-UHFFFAOYSA-N -1 0 341.339 3.936 20 0 EHADRM CC[C@@H]1CCC[C@H](NC(=O)N(CC(=O)[O-])[C@@H](C)c2ccccc2)C1 ZINC000684733790 1025091140 /nfs/dbraw/zinc/09/11/40/1025091140.db2.gz DJVREYZIXLMYGN-UXLLHSPISA-N -1 0 332.444 3.813 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000435717987 1025103823 /nfs/dbraw/zinc/10/38/23/1025103823.db2.gz ARODCRZGNCSIQP-WCQYABFASA-N -1 0 344.238 3.857 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)n1 ZINC000435718303 1025104223 /nfs/dbraw/zinc/10/42/23/1025104223.db2.gz CIIMAYXAUJHKMK-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000366890407 1025111297 /nfs/dbraw/zinc/11/12/97/1025111297.db2.gz DCGRQQLEKMIJBU-DOTOQJQBSA-N -1 0 346.430 3.936 20 0 EHADRM CC(C)CO[C@H]1CCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000582067628 1025149367 /nfs/dbraw/zinc/14/93/67/1025149367.db2.gz BTJVNUAWJYWKRV-WFASDCNBSA-N -1 0 346.254 3.866 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)c(C)n1 ZINC000444052928 1025205872 /nfs/dbraw/zinc/20/58/72/1025205872.db2.gz HWSOPTKYSKSTQA-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2cccc(-c3nccs3)c2)[C@H](C(=O)[O-])C1 ZINC000684745441 1025212943 /nfs/dbraw/zinc/21/29/43/1025212943.db2.gz JVUABNOJHZWRQQ-FZMZJTMJSA-N -1 0 345.424 3.527 20 0 EHADRM CCC(=O)c1cccc(NC(=O)N(CC(=O)[O-])C2CCCCC2)c1 ZINC000684745268 1025213376 /nfs/dbraw/zinc/21/33/76/1025213376.db2.gz HNCKFJYILCYDFC-UHFFFAOYSA-N -1 0 332.400 3.531 20 0 EHADRM O=C([O-])[C@H]1CCCCCN1C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000684744875 1025216781 /nfs/dbraw/zinc/21/67/81/1025216781.db2.gz SKRBEMMYIJBEQW-QGZVFWFLSA-N -1 0 346.427 3.869 20 0 EHADRM C/C=C\C[C@H](NC(=O)Nc1ccc2ccn(CCC)c2c1)C(=O)[O-] ZINC000684748853 1025257079 /nfs/dbraw/zinc/25/70/79/1025257079.db2.gz QTOGMBQOLZDZCW-QTLSWZBMSA-N -1 0 329.400 3.592 20 0 EHADRM O=c1nc(C2CCSCC2)[n-]c2c(-c3ccccc3)nsc21 ZINC000548684930 1025365861 /nfs/dbraw/zinc/36/58/61/1025365861.db2.gz HRIIKRLFULJPCN-UHFFFAOYSA-N -1 0 329.450 3.657 20 0 EHADRM CCCC(=O)Nc1cccc(CNC(=O)c2cc(Cl)ccc2O)c1 ZINC000515560234 1025369158 /nfs/dbraw/zinc/36/91/58/1025369158.db2.gz DKRUDYZDHWMARY-UHFFFAOYSA-N -1 0 346.814 3.714 20 0 EHADRM CC(C)c1n[n-]c(=N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)o1 ZINC000515595251 1025390063 /nfs/dbraw/zinc/39/00/63/1025390063.db2.gz SNDBRYWNGYEXGF-AULYBMBSSA-N -1 0 325.334 3.992 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)Nc2ccc(F)cc2OC2CCCC2)CC1 ZINC000684772239 1025405080 /nfs/dbraw/zinc/40/50/80/1025405080.db2.gz YOGIKKMUMIRHTF-JOCQHMNTSA-N -1 0 349.402 3.977 20 0 EHADRM CCOc1ncccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000515630963 1025422760 /nfs/dbraw/zinc/42/27/60/1025422760.db2.gz KNRZATSFPAAVTP-UHFFFAOYSA-N -1 0 334.441 3.579 20 0 EHADRM CCCN(Cc1ccc(C)cc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000574500935 1033282608 /nfs/dbraw/zinc/28/26/08/1033282608.db2.gz DBISANZZSUSRKK-UHFFFAOYSA-N -1 0 340.423 3.815 20 0 EHADRM Cc1sc([C@H]2CCCN2c2cc(C)nc(C(C)C)n2)nc1C(=O)[O-] ZINC000515654872 1025439467 /nfs/dbraw/zinc/43/94/67/1025439467.db2.gz BJPRTRYOZKTGQM-GFCCVEGCSA-N -1 0 346.456 3.713 20 0 EHADRM CC[C@H](C)c1ncc([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)cn1 ZINC000451045644 1025464673 /nfs/dbraw/zinc/46/46/73/1025464673.db2.gz MXZVEGBFDNGMFU-JTQLQIEISA-N -1 0 349.387 3.676 20 0 EHADRM CCCC[C@H](NC(=O)N=c1cc(C)c(C)n[n-]1)c1ccc(OC)cc1 ZINC000467465961 1025508349 /nfs/dbraw/zinc/50/83/49/1025508349.db2.gz PYMAHMVMKAZZBD-KRWDZBQOSA-N -1 0 342.443 3.577 20 0 EHADRM CCOc1cccc(S(=O)(=O)[N-]c2ccccc2C(C)(F)F)c1 ZINC000451087633 1025527662 /nfs/dbraw/zinc/52/76/62/1025527662.db2.gz PGAUCZHYGXCWLH-UHFFFAOYSA-N -1 0 341.379 3.998 20 0 EHADRM O=S(=O)([N-]c1ccc2ccoc2c1)c1cc(F)c(F)c(F)c1 ZINC000442851983 1025548215 /nfs/dbraw/zinc/54/82/15/1025548215.db2.gz SAABTPUSYZDVAS-UHFFFAOYSA-N -1 0 327.283 3.651 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1ccc(CCC(C)C)cn1 ZINC000451104455 1025567218 /nfs/dbraw/zinc/56/72/18/1025567218.db2.gz KKUQIQKHALUMPB-UHFFFAOYSA-N -1 0 340.470 3.541 20 0 EHADRM O=S(=O)([N-]c1ccc2ncccc2c1)c1cnc2ccsc2c1 ZINC000342461910 1025646028 /nfs/dbraw/zinc/64/60/28/1025646028.db2.gz LWNNOLVTYYNRDC-UHFFFAOYSA-N -1 0 341.417 3.645 20 0 EHADRM C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)N=c1[n-]ncs1 ZINC000521766594 1025662462 /nfs/dbraw/zinc/66/24/62/1025662462.db2.gz AJNGJOIIDYLDSL-GFCCVEGCSA-N -1 0 344.465 3.817 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000909559504 1025694658 /nfs/dbraw/zinc/69/46/58/1025694658.db2.gz IJFVTULITBZZCG-CQSZACIVSA-N -1 0 327.380 3.533 20 0 EHADRM Cc1ccccc1NC(=O)Cc1noc(-c2ccc([O-])c(Cl)c2)n1 ZINC000443089644 1025699787 /nfs/dbraw/zinc/69/97/87/1025699787.db2.gz AKCVSXJUGZBCMG-UHFFFAOYSA-N -1 0 343.770 3.585 20 0 EHADRM CCCCOc1ccc(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)c(C)c1 ZINC000521841740 1025730814 /nfs/dbraw/zinc/73/08/14/1025730814.db2.gz IVPOQDRHVUWPBM-OAHLLOKOSA-N -1 0 348.443 3.893 20 0 EHADRM CCCC[C@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C)C(=O)[O-] ZINC000347260163 1025754326 /nfs/dbraw/zinc/75/43/26/1025754326.db2.gz LHHFHXTXJBPDKL-HOCLYGCPSA-N -1 0 335.444 3.645 20 0 EHADRM Cc1cc(-c2ccc(O[C@@H](C)C(=O)[O-])cc2)ccc1O[C@H]1CCOC1 ZINC000521900777 1025754494 /nfs/dbraw/zinc/75/44/94/1025754494.db2.gz XCZPYSTUVXJXTL-KSSFIOAISA-N -1 0 342.391 3.682 20 0 EHADRM CCCC[C@@H](NC(=O)[C@H](Oc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000347263132 1025763303 /nfs/dbraw/zinc/76/33/03/1025763303.db2.gz QAJCROPJMIAPOO-QZTJIDSGSA-N -1 0 341.407 3.566 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)CCCCCC1 ZINC000515964911 1025797970 /nfs/dbraw/zinc/79/79/70/1025797970.db2.gz VWMHOSNEJBPJQB-JKSUJKDBSA-N -1 0 333.403 3.613 20 0 EHADRM CC(C)Oc1cccc([C@@H](C)NC(=O)CC2(C(=O)[O-])CCCC2)c1 ZINC000324425225 1025803838 /nfs/dbraw/zinc/80/38/38/1025803838.db2.gz ZSWKCVIAYQJCND-CQSZACIVSA-N -1 0 333.428 3.686 20 0 EHADRM COc1ccc(C[C@H](C)CN(C)C(=O)c2c([O-])cc(F)cc2F)cc1 ZINC000124932388 1025820484 /nfs/dbraw/zinc/82/04/84/1025820484.db2.gz FJBVSZXOVIVMIZ-LBPRGKRZSA-N -1 0 349.377 3.630 20 0 EHADRM O=C(NC[C@@H]1CCCC[C@H]1C(F)(F)F)c1cc(F)c([O-])c(F)c1 ZINC000436523658 1025824654 /nfs/dbraw/zinc/82/46/54/1025824654.db2.gz UZEMOXOASCKUNM-WCBMZHEXSA-N -1 0 337.288 3.769 20 0 EHADRM Cc1ccc(N=c2[n-]nc(SC3CCOCC3)s2)cc1Cl ZINC000472215771 1025851688 /nfs/dbraw/zinc/85/16/88/1025851688.db2.gz RDRITSKEGKCCSA-UHFFFAOYSA-N -1 0 341.889 3.937 20 0 EHADRM CN(Cc1ncc[nH]1)C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436553720 1025859174 /nfs/dbraw/zinc/85/91/74/1025859174.db2.gz GNJPBCGZVMESSM-UHFFFAOYSA-N -1 0 341.798 3.708 20 0 EHADRM C[S@](=O)c1cccc(NC(=O)c2c([O-])cc(Cl)cc2Cl)c1 ZINC000436555351 1025861026 /nfs/dbraw/zinc/86/10/26/1025861026.db2.gz MQLNLGJOJSYULR-NRFANRHFSA-N -1 0 344.219 3.689 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(Cl)cc2[O-])cc1C(=O)NC(C)C ZINC000436555853 1025861415 /nfs/dbraw/zinc/86/14/15/1025861415.db2.gz JPAHECBFTDTTKT-UHFFFAOYSA-N -1 0 346.814 3.745 20 0 EHADRM O=C(Nc1nc2c(s1)CSCC2)c1ccc(Cl)cc1[O-] ZINC000436555997 1025861719 /nfs/dbraw/zinc/86/17/19/1025861719.db2.gz MORDPEAWTJGKOF-UHFFFAOYSA-N -1 0 326.830 3.544 20 0 EHADRM O=C(Nc1ccc(N2CCCCC2)cn1)c1ccc(Cl)cc1[O-] ZINC000436543451 1025876893 /nfs/dbraw/zinc/87/68/93/1025876893.db2.gz LIXHQMBNHDJSKG-UHFFFAOYSA-N -1 0 331.803 3.683 20 0 EHADRM Cc1ccc(-c2nc(CN3CCC[C@@H](C)[C@@H]3C(=O)[O-])cs2)cc1 ZINC000324463551 1025905806 /nfs/dbraw/zinc/90/58/06/1025905806.db2.gz BYQPBOCDBCKUMX-CZUORRHYSA-N -1 0 330.453 3.804 20 0 EHADRM CC(C)Cn1cc(NC(=O)c2c([O-])cc(Cl)cc2Cl)cn1 ZINC000436572629 1025906525 /nfs/dbraw/zinc/90/65/25/1025906525.db2.gz FBDVHEPKGHFKGV-UHFFFAOYSA-N -1 0 328.199 3.804 20 0 EHADRM CC1=C(C)CN(C(=O)c2cc(Br)cc(Cl)c2[O-])CC1 ZINC000436593125 1025911414 /nfs/dbraw/zinc/91/14/14/1025911414.db2.gz AOHHUCUPIBMCPG-UHFFFAOYSA-N -1 0 344.636 3.990 20 0 EHADRM C[C@@H]1CC[C@H](N(C)C(=O)c2cc(Br)c(F)cc2[O-])C1 ZINC000451401770 1025927042 /nfs/dbraw/zinc/92/70/42/1025927042.db2.gz UNTYZIMRWCSEKU-BDAKNGLRSA-N -1 0 330.197 3.554 20 0 EHADRM CC(C)(C)OC(=O)CN(C(=O)c1cc(F)ccc1O)c1ccccc1 ZINC000436588670 1025928690 /nfs/dbraw/zinc/92/86/90/1025928690.db2.gz IRKVRPGCLCWVIF-UHFFFAOYSA-N -1 0 345.370 3.520 20 0 EHADRM C[C@H](Cc1cccc(O)c1)NC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000436602039 1025932236 /nfs/dbraw/zinc/93/22/36/1025932236.db2.gz JLRYKSUDKAXHGN-SECBINFHSA-N -1 0 340.206 3.766 20 0 EHADRM COc1c(C)cc(CN(C)C(=O)c2ccc(Cl)cc2O)cc1C ZINC000436634285 1025965185 /nfs/dbraw/zinc/96/51/85/1025965185.db2.gz GCOHOEGLDWDFQS-UHFFFAOYSA-N -1 0 333.815 3.943 20 0 EHADRM Cc1ccnc(Sc2n[n-]c(=Nc3cccc(Cl)c3C)s2)n1 ZINC000522933307 1025969239 /nfs/dbraw/zinc/96/92/39/1025969239.db2.gz CELAAQQWTIDNHU-UHFFFAOYSA-N -1 0 349.872 3.915 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)Oc2ccc(C)cc2)c1 ZINC000436650668 1025977012 /nfs/dbraw/zinc/97/70/12/1025977012.db2.gz ZQLDSRJPSIVKLB-CYBMUJFWSA-N -1 0 327.380 3.699 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H](C)Oc2cccc(C)c2)c1 ZINC000436652964 1025979862 /nfs/dbraw/zinc/97/98/62/1025979862.db2.gz RTMPVTPUZOSXSF-ZDUSSCGKSA-N -1 0 327.380 3.699 20 0 EHADRM Cc1ccc(-c2nc(Cc3cc(C(F)(F)F)ccn3)no2)c(O)c1 ZINC000436654213 1025983192 /nfs/dbraw/zinc/98/31/92/1025983192.db2.gz CYDJOAIQQAXILI-UHFFFAOYSA-N -1 0 335.285 3.755 20 0 EHADRM CCOc1cc(-c2noc(-c3ccc(OC)cn3)n2)cc(Cl)c1O ZINC000436654575 1025983243 /nfs/dbraw/zinc/98/32/43/1025983243.db2.gz GGRDTMVULCSQCA-UHFFFAOYSA-N -1 0 347.758 3.565 20 0 EHADRM C[C@H]1COCC[C@@H]1CNC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436656420 1025985507 /nfs/dbraw/zinc/98/55/07/1025985507.db2.gz QAJWSGJTPARECE-NWDGAFQWSA-N -1 0 333.815 3.601 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccc(C(F)(F)F)nc2)c1 ZINC000436656834 1025986320 /nfs/dbraw/zinc/98/63/20/1025986320.db2.gz JONNNDSFBZSOQT-UHFFFAOYSA-N -1 0 338.285 3.651 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(OC)c(OC)cc2C)c1 ZINC000436659404 1026020157 /nfs/dbraw/zinc/02/01/57/1026020157.db2.gz QYJYEWXNQJDRPX-UHFFFAOYSA-N -1 0 343.379 3.563 20 0 EHADRM Cc1nn(-c2ccccc2)cc1NC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436680763 1026031787 /nfs/dbraw/zinc/03/17/87/1026031787.db2.gz OTGABPUFRCSPDJ-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM C[C@@H](NC(=O)c1cc(F)c([O-])c(F)c1)c1ccc2ncsc2c1 ZINC000436680196 1026032585 /nfs/dbraw/zinc/03/25/85/1026032585.db2.gz JEISCOHTVJINPN-MRVPVSSYSA-N -1 0 334.347 3.771 20 0 EHADRM O=S(=O)(NCC1CCC(F)(F)CC1)c1sccc1Cl ZINC000451495937 1026038979 /nfs/dbraw/zinc/03/89/79/1026038979.db2.gz ICDKAIKTWKXXSN-UHFFFAOYSA-N -1 0 329.821 3.505 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])NC(=O)c2cc(C)cc(Cl)c2)c1 ZINC000516136921 1026040114 /nfs/dbraw/zinc/04/01/14/1026040114.db2.gz SKQHECKMHCFSFA-MRXNPFEDSA-N -1 0 347.798 3.603 20 0 EHADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000103057695 1026043004 /nfs/dbraw/zinc/04/30/04/1026043004.db2.gz XFKLAPZNMPHRFS-UHFFFAOYSA-N -1 0 349.305 3.654 20 0 EHADRM O=C(Nc1ccc(N2CCCCC2)nc1)c1ccc(Cl)cc1[O-] ZINC000436688481 1026045117 /nfs/dbraw/zinc/04/51/17/1026045117.db2.gz LGAAUGDPPSIZMG-UHFFFAOYSA-N -1 0 331.803 3.683 20 0 EHADRM COc1cc2c(cc1F)CC[C@@H]2NC(=O)c1ccc([O-])c(Cl)c1 ZINC000436690187 1026047799 /nfs/dbraw/zinc/04/77/99/1026047799.db2.gz YNYNWQLCOZZEPQ-AWEZNQCLSA-N -1 0 335.762 3.611 20 0 EHADRM C[C@@H](NC(=O)c1c([O-])cc(Cl)cc1Cl)c1ccncc1F ZINC000436691859 1026048045 /nfs/dbraw/zinc/04/80/45/1026048045.db2.gz ZZMJXOQQOYLVKO-SSDOTTSWSA-N -1 0 329.158 3.724 20 0 EHADRM COc1cc(/C=C/c2nc(-c3ccccc3)ncc2C(=O)[O-])ccc1O ZINC000443447215 1026055919 /nfs/dbraw/zinc/05/59/19/1026055919.db2.gz QXMPYQHTYYGGPN-VQHVLOKHSA-N -1 0 348.358 3.726 20 0 EHADRM C[C@@H]1C[C@@H](CCNC(=O)c2cc(F)c([O-])c(Cl)c2)C[C@H](C)O1 ZINC000436706273 1026069404 /nfs/dbraw/zinc/06/94/04/1026069404.db2.gz CDHKZSISGMHVLC-JGPRNRPPSA-N -1 0 329.799 3.508 20 0 EHADRM O=C(Nc1ncc(-c2ccccn2)s1)c1cc(F)cc(Cl)c1[O-] ZINC000436711807 1026079960 /nfs/dbraw/zinc/07/99/60/1026079960.db2.gz BSJVWNMLIQMJNG-UHFFFAOYSA-N -1 0 349.774 3.956 20 0 EHADRM O=C(Nc1ncc(-c2cccnc2)s1)c1cc(F)cc(Cl)c1[O-] ZINC000436712802 1026081380 /nfs/dbraw/zinc/08/13/80/1026081380.db2.gz OXJFRYUTXBLEFW-UHFFFAOYSA-N -1 0 349.774 3.956 20 0 EHADRM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)CC2(C(=O)[O-])CCC2)o1 ZINC000262423539 1026116908 /nfs/dbraw/zinc/11/69/08/1026116908.db2.gz AZSZEMIPDRCSGG-UKRRQHHQSA-N -1 0 333.428 3.787 20 0 EHADRM O=C(Nc1cccc(CO)c1)c1cc(Cl)c2ccccc2c1[O-] ZINC000436757956 1026127669 /nfs/dbraw/zinc/12/76/69/1026127669.db2.gz WUECDTZDMVFXES-UHFFFAOYSA-N -1 0 327.767 3.943 20 0 EHADRM Cc1nc(C(=O)Nc2cccc(Cl)c2[O-])c(Br)s1 ZINC000342534972 1026155794 /nfs/dbraw/zinc/15/57/94/1026155794.db2.gz DPVVPCLLSOUMIS-UHFFFAOYSA-N -1 0 347.621 3.825 20 0 EHADRM CCn1nc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1C1CC1 ZINC000530684997 1026198485 /nfs/dbraw/zinc/19/84/85/1026198485.db2.gz VTUIHUDXZHRDBH-UHFFFAOYSA-N -1 0 339.848 3.543 20 0 EHADRM CCCc1nc(=NC(=O)N2CCc3c(cccc3C(C)C)C2)s[n-]1 ZINC000582435086 1026246978 /nfs/dbraw/zinc/24/69/78/1026246978.db2.gz WRUARJHTVUIQAD-UHFFFAOYSA-N -1 0 344.484 3.626 20 0 EHADRM COc1ccc(SCC(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)cc1 ZINC000324728385 1026254171 /nfs/dbraw/zinc/25/41/71/1026254171.db2.gz IKLBYPNJQUFWNL-UHFFFAOYSA-N -1 0 345.420 3.741 20 0 EHADRM Cc1cccc(O[C@@H](C)C(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)c1 ZINC000324812469 1026330312 /nfs/dbraw/zinc/33/03/12/1026330312.db2.gz SWTGAZMMDJIBIX-AWEZNQCLSA-N -1 0 327.380 3.716 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@H]2CCSc3ccccc32)c1 ZINC000262460049 1026358638 /nfs/dbraw/zinc/35/86/38/1026358638.db2.gz FQUQPCFYPKBYSA-INIZCTEOSA-N -1 0 341.432 3.922 20 0 EHADRM CCCC[C@@H](NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000324880634 1026414998 /nfs/dbraw/zinc/41/49/98/1026414998.db2.gz QGSDIERTWZUOBR-QGZVFWFLSA-N -1 0 327.380 3.852 20 0 EHADRM Cc1ccc2nc([N-]S(=O)(=O)Cc3ccccc3F)sc2c1 ZINC000158402940 1026427294 /nfs/dbraw/zinc/42/72/94/1026427294.db2.gz HWEOPLWCHPICIE-UHFFFAOYSA-N -1 0 336.413 3.686 20 0 EHADRM O=C(Nc1nnc(Cc2ccccc2)s1)c1c(F)cccc1F ZINC000028879479 1026461087 /nfs/dbraw/zinc/46/10/87/1026461087.db2.gz HKSKPOVCDYUEOO-UHFFFAOYSA-N -1 0 331.347 3.659 20 0 EHADRM C[C@@H](Sc1ccccc1)c1ccc(NC(=O)c2n[nH]c(=O)[n-]2)cc1 ZINC000530991234 1026467814 /nfs/dbraw/zinc/46/78/14/1026467814.db2.gz KTGBCFQVDDVCPR-LLVKDONJSA-N -1 0 340.408 3.616 20 0 EHADRM COc1c(F)c(F)ccc1Nc1ccc(Cl)cc1S(=O)(=O)[O-] ZINC001211897676 1026635725 /nfs/dbraw/zinc/63/57/25/1026635725.db2.gz FEMRJNAKLJZMIO-UHFFFAOYSA-N -1 0 349.742 3.617 20 0 EHADRM CCCOc1ccc(NC(=O)c2s[n-]c(=O)c2Cl)c(C)c1 ZINC000582594343 1026684760 /nfs/dbraw/zinc/68/47/60/1026684760.db2.gz LSSZXUWUEYDIHP-UHFFFAOYSA-N -1 0 326.805 3.852 20 0 EHADRM O=C([O-])COc1cccc(/C=C/c2ncc(Br)s2)c1 ZINC000193049788 1026706023 /nfs/dbraw/zinc/70/60/23/1026706023.db2.gz AIJRHCDURLZSKT-SNAWJCMRSA-N -1 0 340.198 3.539 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cccc3ccc(C)nc32)c(C)c1 ZINC000531247777 1026724090 /nfs/dbraw/zinc/72/40/90/1026724090.db2.gz MWQOOEFEGNFYTF-UHFFFAOYSA-N -1 0 326.421 3.961 20 0 EHADRM COCCOc1ccc(-c2ccc(OC)c(C3(C(=O)[O-])CC3)c2)cc1 ZINC000563435811 1026941846 /nfs/dbraw/zinc/94/18/46/1026941846.db2.gz CJXJDAKWWCGORO-UHFFFAOYSA-N -1 0 342.391 3.504 20 0 EHADRM O=C(NCC[C@H]1CCc2ccccc21)c1cc(F)c(F)c([O-])c1F ZINC000452720464 1026962655 /nfs/dbraw/zinc/96/26/55/1026962655.db2.gz SQBBGZJKJCYCEI-LLVKDONJSA-N -1 0 335.325 3.659 20 0 EHADRM CCOc1cccc(CN=c2nc(C(C)C)[n-]s2)c1OC(F)F ZINC000531544149 1027029685 /nfs/dbraw/zinc/02/96/85/1027029685.db2.gz GPWBGKSVFVTIBZ-UHFFFAOYSA-N -1 0 343.399 3.696 20 0 EHADRM CSc1ccc(C)c(NS(=O)(=O)c2ccc(C(C)=O)cc2)c1 ZINC000342788492 1027057643 /nfs/dbraw/zinc/05/76/43/1027057643.db2.gz YNBAJCSEFZEMSV-UHFFFAOYSA-N -1 0 335.450 3.720 20 0 EHADRM O=S(=O)(NC1(Cc2ccccc2)CCC1)c1cc2ccccc2o1 ZINC000531603024 1027078142 /nfs/dbraw/zinc/07/81/42/1027078142.db2.gz DXAFCRXBEFBRCS-UHFFFAOYSA-N -1 0 341.432 3.877 20 0 EHADRM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(C)cc2cccnc21 ZINC000614738256 1027229154 /nfs/dbraw/zinc/22/91/54/1027229154.db2.gz RIRKKVVAXSIBCJ-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM CCN(Cc1ccccc1)c1ccc(-c2nc(C)c(C)c(=O)[nH]2)cn1 ZINC000302713045 1027251713 /nfs/dbraw/zinc/25/17/13/1027251713.db2.gz DYJCLDPNDCJVBK-UHFFFAOYSA-N -1 0 334.423 3.888 20 0 EHADRM O=C(N=c1[n-]nc(C2CC2)s1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000548759929 1027295954 /nfs/dbraw/zinc/29/59/54/1027295954.db2.gz KQYCXSVHVYILGX-HNNXBMFYSA-N -1 0 342.468 3.890 20 0 EHADRM FC(F)(F)c1ccc(CN=c2[n-]nc(C3CCOCC3)s2)s1 ZINC000453054989 1027296937 /nfs/dbraw/zinc/29/69/37/1027296937.db2.gz YFCFCWZYPMNDNX-UHFFFAOYSA-N -1 0 349.403 3.546 20 0 EHADRM CCOc1ccccc1-c1cccc(C(=O)N(C)[C@@H](C)CC(=O)[O-])c1 ZINC000659218283 1027336729 /nfs/dbraw/zinc/33/67/29/1027336729.db2.gz BACKIZVILBTJOS-AWEZNQCLSA-N -1 0 341.407 3.688 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccccc2OC2CCCCC2)C1 ZINC000414440960 1027337068 /nfs/dbraw/zinc/33/70/68/1027337068.db2.gz NGGMZDLEVYFDBT-HXUWFJFHSA-N -1 0 345.439 3.725 20 0 EHADRM C[C@H](NC(=O)C[C@@H](C(=O)[O-])c1ccccc1)c1cc2ccccc2o1 ZINC000029010804 1027374281 /nfs/dbraw/zinc/37/42/81/1027374281.db2.gz LVEPCRBJKUGIKC-XJKSGUPXSA-N -1 0 337.375 3.869 20 0 EHADRM COc1ccc2c(c1)C=C(S(=O)(=O)[N-]c1cc(C(C)C)on1)CC2 ZINC000273451179 1027433082 /nfs/dbraw/zinc/43/30/82/1027433082.db2.gz LHECNDFFANLOHV-UHFFFAOYSA-N -1 0 348.424 3.536 20 0 EHADRM CCOc1cc(C(=O)NC[C@H](SC)C(C)(C)C)cc(Cl)c1O ZINC000545881565 1027459749 /nfs/dbraw/zinc/45/97/49/1027459749.db2.gz IXCDXSCVDDIIGL-ZDUSSCGKSA-N -1 0 345.892 3.952 20 0 EHADRM CC[C@H](NC(=O)N(CC(=O)[O-])CC(C)C)c1ccc(Cl)cc1 ZINC000582744465 1027537133 /nfs/dbraw/zinc/53/71/33/1027537133.db2.gz NPOPTOMHOFLVRO-AWEZNQCLSA-N -1 0 326.824 3.543 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccccc2)cc1)c1cncc(F)c1 ZINC000501809101 1027539514 /nfs/dbraw/zinc/53/95/14/1027539514.db2.gz RPSPLAJCFVCDMB-UHFFFAOYSA-N -1 0 328.368 3.689 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2OCC)c(C)c1 ZINC000501859787 1027614985 /nfs/dbraw/zinc/61/49/85/1027614985.db2.gz YBSKECNGTGOYSH-UHFFFAOYSA-N -1 0 335.425 3.593 20 0 EHADRM c1ccc([C@H](N=c2nc(C3CCCC3)[n-]s2)[C@H]2CCOC2)cc1 ZINC000420609715 1027642882 /nfs/dbraw/zinc/64/28/82/1027642882.db2.gz KUWLFKXCNRHIKU-HOTGVXAUSA-N -1 0 329.469 3.807 20 0 EHADRM CC[C@H]1CN(C(=O)CC2(C(=O)[O-])CCC2)CC[C@@H]1c1ccccc1 ZINC000262526666 1027655917 /nfs/dbraw/zinc/65/59/17/1027655917.db2.gz OUSQMJWBFJLVGO-RDJZCZTQSA-N -1 0 329.440 3.674 20 0 EHADRM COC(=O)c1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)[O-])o1 ZINC000503258994 1027691190 /nfs/dbraw/zinc/69/11/90/1027691190.db2.gz XRFWAEFPAJYBOV-ZHACJKMWSA-N -1 0 349.342 3.799 20 0 EHADRM Cc1oc(CN(C)C(=O)c2cccc(C(C)(C)C)c2)cc1C(=O)[O-] ZINC000582796416 1027746111 /nfs/dbraw/zinc/74/61/11/1027746111.db2.gz PCVTVNIKIAZPMA-UHFFFAOYSA-N -1 0 329.396 3.856 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)NCCCC(C)(F)F)s[n-]1 ZINC000455168090 1027768934 /nfs/dbraw/zinc/76/89/34/1027768934.db2.gz ZALMFRVMSPTWME-UHFFFAOYSA-N -1 0 346.428 3.554 20 0 EHADRM Cc1cscc1[N-]S(=O)(=O)c1ccc2c(cnn2C(C)C)c1 ZINC000532673140 1027781461 /nfs/dbraw/zinc/78/14/61/1027781461.db2.gz QRARARXCHQKLCZ-UHFFFAOYSA-N -1 0 335.454 3.788 20 0 EHADRM O=C([O-])C1(CC(=O)N2CCc3cc(Cl)cc(Cl)c3C2)CCC1 ZINC000262539160 1027843100 /nfs/dbraw/zinc/84/31/00/1027843100.db2.gz QVDXGAVWDCXGHX-UHFFFAOYSA-N -1 0 342.222 3.523 20 0 EHADRM CC(C)c1cccc(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)c1 ZINC000665862475 1027850362 /nfs/dbraw/zinc/85/03/62/1027850362.db2.gz CVVJOVXTDDLNAW-UHFFFAOYSA-N -1 0 341.436 3.793 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000132064683 1027853832 /nfs/dbraw/zinc/85/38/32/1027853832.db2.gz ZGJALVHBQSGQSZ-PXAZEXFGSA-N -1 0 345.826 3.840 20 0 EHADRM O=C(CC1(O)CCCC1)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000305702915 1027869285 /nfs/dbraw/zinc/86/92/85/1027869285.db2.gz GYMUHEGHAZYZKZ-UHFFFAOYSA-N -1 0 338.618 3.986 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)c(C)s1 ZINC000031534683 1027984112 /nfs/dbraw/zinc/98/41/12/1027984112.db2.gz FGEKUUWZXHAYPW-UHFFFAOYSA-N -1 0 333.438 3.556 20 0 EHADRM COc1ccc(CNC(=O)c2cc(Cl)c3ccccc3c2[O-])nc1 ZINC000444496311 1027998291 /nfs/dbraw/zinc/99/82/91/1027998291.db2.gz UBYGBMUKGKARDT-UHFFFAOYSA-N -1 0 342.782 3.532 20 0 EHADRM Cc1nc2ccc(Nc3ccc(S(=O)(=O)[O-])cc3Cl)cc2o1 ZINC001213068284 1028032055 /nfs/dbraw/zinc/03/20/55/1028032055.db2.gz BJURPAQUUYFMOD-UHFFFAOYSA-N -1 0 338.772 3.780 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)nn1C(C)C ZINC000421189089 1028166864 /nfs/dbraw/zinc/16/68/64/1028166864.db2.gz ZEQIUHRUHWOVJT-UHFFFAOYSA-N -1 0 348.255 3.880 20 0 EHADRM Cc1cnn(Cc2cccnc2)c1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211958533 1028169968 /nfs/dbraw/zinc/16/99/68/1028169968.db2.gz VZGRRXLUWACICT-UHFFFAOYSA-N -1 0 342.786 3.730 20 0 EHADRM Cc1cc(-c2ccccc2)ccc1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000523337107 1028189504 /nfs/dbraw/zinc/18/95/04/1028189504.db2.gz JKQGRKBNWLMHRI-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM CCOC(=O)c1cnc(C)c(Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC001211960454 1028190809 /nfs/dbraw/zinc/19/08/09/1028190809.db2.gz AMKQVXMFXSSMRT-UHFFFAOYSA-N -1 0 334.759 3.662 20 0 EHADRM O=S(=O)([N-]Cc1csc2ccccc12)c1c(F)cccc1F ZINC000033693231 1028206054 /nfs/dbraw/zinc/20/60/54/1028206054.db2.gz IFCKZVAYSAASLR-UHFFFAOYSA-N -1 0 339.388 3.658 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2c[nH]c(=O)c(Br)c2)c1 ZINC001211962364 1028214140 /nfs/dbraw/zinc/21/41/40/1028214140.db2.gz AFZQURKGOOKOSJ-UHFFFAOYSA-N -1 0 343.564 3.645 20 0 EHADRM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(-c2ccccc2)cn1 ZINC000421230443 1028214660 /nfs/dbraw/zinc/21/46/60/1028214660.db2.gz VCMMSHQHBHHCTL-QGZVFWFLSA-N -1 0 348.468 3.551 20 0 EHADRM Nc1cnc(Nc2cc(Cl)cc(C(=O)[O-])c2)c(Br)c1 ZINC001211962434 1028216033 /nfs/dbraw/zinc/21/60/33/1028216033.db2.gz DVJLBTBCQDFGLR-UHFFFAOYSA-N -1 0 342.580 3.522 20 0 EHADRM CC[C@@H](C)[C@@H](C)C(=O)NCc1c(C(=O)[O-])sc2ccsc21 ZINC000431506194 1028279876 /nfs/dbraw/zinc/27/98/76/1028279876.db2.gz GKVFNMUCCXHBSM-RKDXNWHRSA-N -1 0 325.455 3.959 20 0 EHADRM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)cc1 ZINC000057123605 1028353354 /nfs/dbraw/zinc/35/33/54/1028353354.db2.gz RJNIVWUGSNOUPT-GFCCVEGCSA-N -1 0 345.424 3.541 20 0 EHADRM Cc1cccc(NC(=O)N=c2[n-]nc(-c3ccsc3)s2)c1C ZINC000502586697 1028382045 /nfs/dbraw/zinc/38/20/45/1028382045.db2.gz RWKNMFBUUGRLCL-UHFFFAOYSA-N -1 0 330.438 3.949 20 0 EHADRM CC(=O)N1CCc2c1cccc2Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211969294 1028405508 /nfs/dbraw/zinc/40/55/08/1028405508.db2.gz BGCYDJXBJCWFSE-UHFFFAOYSA-N -1 0 330.771 3.691 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)NC[C@H](CC(C)C)C(=O)[O-])s2)o1 ZINC000431511817 1028418190 /nfs/dbraw/zinc/41/81/90/1028418190.db2.gz ZIQKALNEAVQIHY-LBPRGKRZSA-N -1 0 335.425 3.793 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])c1 ZINC000401364439 1028467714 /nfs/dbraw/zinc/46/77/14/1028467714.db2.gz STVKJLNNCAWOCO-LBPRGKRZSA-N -1 0 329.849 3.681 20 0 EHADRM CC[C@@](CC(=O)[O-])(C(=O)N[C@@H](C)CC(F)(F)F)c1ccc(C)cc1 ZINC000634829809 1028521965 /nfs/dbraw/zinc/52/19/65/1028521965.db2.gz HAUABIFYOIKGNQ-LRDDRELGSA-N -1 0 345.361 3.575 20 0 EHADRM C[C@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)[C@H](c2ccco2)C1 ZINC000072905274 1028523400 /nfs/dbraw/zinc/52/34/00/1028523400.db2.gz VEXIBULKRRDSPF-AAEUAGOBSA-N -1 0 329.425 3.963 20 0 EHADRM CC(C)C[C@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC000236634757 1028559035 /nfs/dbraw/zinc/55/90/35/1028559035.db2.gz XKPFELOQSRQSNT-ZDUSSCGKSA-N -1 0 335.787 3.829 20 0 EHADRM O=S(=O)(/C=C\c1ccc(F)cc1)[N-]c1nc2c(s1)CCCC2 ZINC000255563165 1028560362 /nfs/dbraw/zinc/56/03/62/1028560362.db2.gz AKNNYTJZGIJXOY-KTKRTIGZSA-N -1 0 338.429 3.574 20 0 EHADRM CCc1cc(C(=O)N[C@H](C)c2nc(C)c(C(=O)[O-])s2)sc1C ZINC000237122980 1028642326 /nfs/dbraw/zinc/64/23/26/1028642326.db2.gz RLERNULPTSAXFS-MRVPVSSYSA-N -1 0 338.454 3.573 20 0 EHADRM COc1cc(CNC(=O)c2sccc2C(C)C)ccc1C(=O)[O-] ZINC000237365523 1028646448 /nfs/dbraw/zinc/64/64/48/1028646448.db2.gz ITSZFUXFPCKMPO-UHFFFAOYSA-N -1 0 333.409 3.508 20 0 EHADRM Cc1nc([C@H](C)NC(=O)c2cc3cc(C)ccc3o2)sc1C(=O)[O-] ZINC000237473877 1028652288 /nfs/dbraw/zinc/65/22/88/1028652288.db2.gz CGIZOUMXAAKPGW-JTQLQIEISA-N -1 0 344.392 3.695 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)C/C=C/c1ccc(F)cc1 ZINC000237577859 1028656863 /nfs/dbraw/zinc/65/68/63/1028656863.db2.gz XBXWDZLBNQDOLT-MJICGBHWSA-N -1 0 341.382 3.870 20 0 EHADRM Cc1ccccc1C1(C(=O)N2CCC(CC(=O)[O-])CC2)CCCCC1 ZINC000262223164 1028682315 /nfs/dbraw/zinc/68/23/15/1028682315.db2.gz XJLRDOPKMQSKOL-UHFFFAOYSA-N -1 0 343.467 3.910 20 0 EHADRM Clc1cccc(OCCN=c2[n-]nc(C3CC3)s2)c1Cl ZINC000532732603 1028758672 /nfs/dbraw/zinc/75/86/72/1028758672.db2.gz WJOIGOARCGIYHR-UHFFFAOYSA-N -1 0 330.240 3.635 20 0 EHADRM C[C@@H](O[C@@H](C)C(=O)Nc1ccc(SC2CCCC2)cc1)C(=O)[O-] ZINC000421802134 1028790392 /nfs/dbraw/zinc/79/03/92/1028790392.db2.gz GHSSFABWESTEIS-NWDGAFQWSA-N -1 0 337.441 3.538 20 0 EHADRM Cc1ccc(Oc2ccccc2NC(=O)[C@@H](C)O[C@H](C)C(=O)[O-])cc1 ZINC000421806731 1028793690 /nfs/dbraw/zinc/79/36/90/1028793690.db2.gz MMESDFJFPWENAP-ZIAGYGMSSA-N -1 0 343.379 3.604 20 0 EHADRM COc1cccc(Cc2n[n-]c(=NCc3cccc(C4CC4)c3)o2)c1 ZINC000421810634 1028795148 /nfs/dbraw/zinc/79/51/48/1028795148.db2.gz FYWHBPMAZPHSQP-UHFFFAOYSA-N -1 0 335.407 3.580 20 0 EHADRM CC(C)c1nc2cc([N-]S(=O)(=O)c3cn(C(C)C)cn3)ccc2o1 ZINC000532802330 1028858556 /nfs/dbraw/zinc/85/85/56/1028858556.db2.gz CLNLSTZFAFPXQP-UHFFFAOYSA-N -1 0 348.428 3.529 20 0 EHADRM CCOCCC1(CNC(=O)c2c([O-])cc(Cl)cc2Cl)CC1 ZINC000162571400 1029011084 /nfs/dbraw/zinc/01/10/84/1029011084.db2.gz UHRCVUFDIQMKNU-UHFFFAOYSA-N -1 0 332.227 3.636 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N(C)[C@H](C)c1cc2ccccc2o1)C(=O)[O-] ZINC000424424654 1029047103 /nfs/dbraw/zinc/04/71/03/1029047103.db2.gz PGMBPYZVHPEMDV-HIFRSBDPSA-N -1 0 346.427 3.882 20 0 EHADRM CC(C)[C@H]1CN(C(=O)N=c2[n-]nc(C(F)F)s2)c2ccccc21 ZINC000454579553 1029059650 /nfs/dbraw/zinc/05/96/50/1029059650.db2.gz CJNLUHYWUXANJB-SNVBAGLBSA-N -1 0 338.383 3.689 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)NCc2ccc(C)c(F)c2)s1 ZINC000503121597 1029065749 /nfs/dbraw/zinc/06/57/49/1029065749.db2.gz VBVVFSMMEZSWFK-UHFFFAOYSA-N -1 0 336.436 3.633 20 0 EHADRM CC(C)(CC(=O)NCc1ccc(OC2CCCCC2)cc1)C(=O)[O-] ZINC000262239506 1029104879 /nfs/dbraw/zinc/10/48/79/1029104879.db2.gz NTIYWUURXHYAIM-UHFFFAOYSA-N -1 0 333.428 3.515 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000321884765 1029109203 /nfs/dbraw/zinc/10/92/03/1029109203.db2.gz KGNBIFAWKRTCOI-FZMZJTMJSA-N -1 0 347.358 3.672 20 0 EHADRM CC(C)(c1nnc(NC([O-])=NOC2CCCC2)s1)c1ccccc1 ZINC000271797979 1029177434 /nfs/dbraw/zinc/17/74/34/1029177434.db2.gz JJQHCPZGYIWZCK-UHFFFAOYSA-N -1 0 346.456 3.860 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)NCCCCCCCC(=O)[O-] ZINC000271951691 1029245636 /nfs/dbraw/zinc/24/56/36/1029245636.db2.gz JISAOEKXOLNNCJ-HNNXBMFYSA-N -1 0 335.444 3.730 20 0 EHADRM O=C([O-])C1(CC(=O)N2CCC(Cc3ccccc3)CC2)CCCC1 ZINC000324899871 1029351334 /nfs/dbraw/zinc/35/13/34/1029351334.db2.gz VJORXULMRQTZQK-UHFFFAOYSA-N -1 0 329.440 3.503 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@]2(Cc2ccccc2)C(=O)[O-])s1 ZINC000583240697 1029357851 /nfs/dbraw/zinc/35/78/51/1029357851.db2.gz SDMBZIAIGPCVMK-SFHVURJKSA-N -1 0 344.436 3.750 20 0 EHADRM CC1(C)CCCC[C@@H]1CC(=O)Nc1ccccc1NS(C)(=O)=O ZINC000154994864 1029378059 /nfs/dbraw/zinc/37/80/59/1029378059.db2.gz MVDCDICOGRBPGZ-CYBMUJFWSA-N -1 0 338.473 3.603 20 0 EHADRM Cc1cccc(N=c2[n-]nc(SCC(=O)C3CCC3)s2)c1C ZINC000446074029 1029390895 /nfs/dbraw/zinc/39/08/95/1029390895.db2.gz VOGUOMLQOOFCOV-UHFFFAOYSA-N -1 0 333.482 3.782 20 0 EHADRM CCc1oc(C(=O)N2C[C@@H](C)C[C@H]2c2ccccc2F)cc1C(=O)[O-] ZINC000261607970 1029460901 /nfs/dbraw/zinc/46/09/01/1029460901.db2.gz DYXCPZGUFYQUML-NHYWBVRUSA-N -1 0 345.370 3.903 20 0 EHADRM CC(C)N(Cc1cccs1)C(=O)N=c1[n-]nc(C(C)(C)C)s1 ZINC000513872454 1029551160 /nfs/dbraw/zinc/55/11/60/1029551160.db2.gz IFHJAOAELQOTMJ-UHFFFAOYSA-N -1 0 338.502 3.762 20 0 EHADRM C[C@H](CC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccccc1F ZINC000262170138 1029570088 /nfs/dbraw/zinc/57/00/88/1029570088.db2.gz LIEAHQDYACVKFZ-CXAGYDPISA-N -1 0 341.382 3.530 20 0 EHADRM Cc1ccc(CCCC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1 ZINC000262283522 1029579633 /nfs/dbraw/zinc/57/96/33/1029579633.db2.gz ZXIXJHRSDIMUGO-LJQANCHMSA-N -1 0 337.419 3.528 20 0 EHADRM CCCSc1nc(=NC(=O)Nc2cccc(OCC)c2)s[n-]1 ZINC000446329941 1029582860 /nfs/dbraw/zinc/58/28/60/1029582860.db2.gz GJABYRJFPSGJBM-UHFFFAOYSA-N -1 0 338.458 3.505 20 0 EHADRM Cc1ccc(C[C@@H](C)N(C)C(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000262299176 1029583556 /nfs/dbraw/zinc/58/35/56/1029583556.db2.gz AAHJLWQOVCRCCB-CYBMUJFWSA-N -1 0 329.371 3.536 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N[C@@H]1CCc2ccccc21)C(=O)[O-] ZINC000237561447 1029592913 /nfs/dbraw/zinc/59/29/13/1029592913.db2.gz PNKGVSIVWHHEFA-BLLLJJGKSA-N -1 0 341.432 3.669 20 0 EHADRM CC(C)C(C)(C)CNC(=O)N=c1[n-]nc(/C=C/c2ccco2)s1 ZINC000446339522 1029596038 /nfs/dbraw/zinc/59/60/38/1029596038.db2.gz FPXMASZGLWCXIA-BQYQJAHWSA-N -1 0 334.445 3.527 20 0 EHADRM CC(C)[C@@H]1N(C(=O)N=c2[n-]nc(/C=C/c3ccco3)s2)CC1(C)C ZINC000455066455 1029597319 /nfs/dbraw/zinc/59/73/19/1029597319.db2.gz WKNGPQZPTLVFCB-NPQIQWPPSA-N -1 0 346.456 3.622 20 0 EHADRM CC(C)[C@H]1N(C(=O)N=c2[n-]nc(/C=C/c3ccco3)s2)CC1(C)C ZINC000455066443 1029597621 /nfs/dbraw/zinc/59/76/21/1029597621.db2.gz WKNGPQZPTLVFCB-HSBSLETESA-N -1 0 346.456 3.622 20 0 EHADRM COCc1ccsc1C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000262606837 1029614997 /nfs/dbraw/zinc/61/49/97/1029614997.db2.gz AMLNVUQMNABZSC-UHFFFAOYSA-N -1 0 349.408 3.632 20 0 EHADRM FC(F)(F)COc1ccccc1CN=c1[n-]nc(-c2ccccc2)o1 ZINC000508565437 1029620925 /nfs/dbraw/zinc/62/09/25/1029620925.db2.gz DHWYSTRFYDZYIT-UHFFFAOYSA-N -1 0 349.312 3.712 20 0 EHADRM Cc1nc(C(=O)N2CCC[C@@H]2CC2CCCCC2)ccc1C(=O)[O-] ZINC000262742268 1029629909 /nfs/dbraw/zinc/62/99/09/1029629909.db2.gz AMZBROQNIJYXAL-OAHLLOKOSA-N -1 0 330.428 3.663 20 0 EHADRM CC(C)(CCNC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000262925438 1029651490 /nfs/dbraw/zinc/65/14/90/1029651490.db2.gz GPMAXXVGWDPQIL-OLZOCXBDSA-N -1 0 344.238 3.714 20 0 EHADRM CC(C)(CCNC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000262925436 1029651762 /nfs/dbraw/zinc/65/17/62/1029651762.db2.gz GPMAXXVGWDPQIL-CHWSQXEVSA-N -1 0 344.238 3.714 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)C[C@@H](C)c1ccccc1C ZINC000262926798 1029652256 /nfs/dbraw/zinc/65/22/56/1029652256.db2.gz KYKIOEMEHMTDCT-CYBMUJFWSA-N -1 0 327.380 3.834 20 0 EHADRM CC(C)n1cc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)cn1 ZINC000525015827 1029652315 /nfs/dbraw/zinc/65/23/15/1029652315.db2.gz PTAXLVYNMVKHCG-UHFFFAOYSA-N -1 0 341.436 3.932 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)C(C)(C)c2ccc(Cl)cc2)C1 ZINC000262988911 1029654557 /nfs/dbraw/zinc/65/45/57/1029654557.db2.gz VBILQIIUFCYAIB-GOSISDBHSA-N -1 0 337.847 3.577 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1ccc(-c2ccco2)cc1F ZINC000263029406 1029657930 /nfs/dbraw/zinc/65/79/30/1029657930.db2.gz KJEZKCKGALUYSO-UHFFFAOYSA-N -1 0 334.347 3.851 20 0 EHADRM Cc1c2cccc(Cl)c2oc1C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000263046961 1029660179 /nfs/dbraw/zinc/66/01/79/1029660179.db2.gz RUJDISGTBBAFFX-JKOKRWQUSA-N -1 0 347.798 3.720 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2ccc(C(C)(C)C)cn2)c1 ZINC000263100533 1029665667 /nfs/dbraw/zinc/66/56/67/1029665667.db2.gz CTGBHHPWVSBGEO-GFCCVEGCSA-N -1 0 326.396 3.820 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cccc(Nc3ccccc3)c2)C1 ZINC000263150040 1029670546 /nfs/dbraw/zinc/67/05/46/1029670546.db2.gz FHFHONPQRVLUJK-ZBFHGGJFSA-N -1 0 338.407 3.613 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)Cc1ccc(Cl)s1)c1ccccc1 ZINC000263219795 1029675734 /nfs/dbraw/zinc/67/57/34/1029675734.db2.gz YLJCWDXXOQVNLF-ZUZCIYMTSA-N -1 0 337.828 3.522 20 0 EHADRM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)C[C@H](C)CC(C)C)c1 ZINC000263257339 1029681407 /nfs/dbraw/zinc/68/14/07/1029681407.db2.gz VYJZKELLGRZLGV-AUUYWEPGSA-N -1 0 335.444 3.574 20 0 EHADRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)[C@H](C)CC2CCCC2)c1 ZINC000263268390 1029682592 /nfs/dbraw/zinc/68/25/92/1029682592.db2.gz XDQKCCUOETYMLP-VLIAUNLRSA-N -1 0 347.455 3.718 20 0 EHADRM C/C=C/C[C@H](NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000263296311 1029685044 /nfs/dbraw/zinc/68/50/44/1029685044.db2.gz SOURSCLVASWOJV-MBZYNMSBSA-N -1 0 330.211 3.633 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)C1CCC(c2ccccc2)CC1 ZINC000263310665 1029686020 /nfs/dbraw/zinc/68/60/20/1029686020.db2.gz HYMNYDOPXGOBRS-AGERRDQYSA-N -1 0 329.440 3.672 20 0 EHADRM CC(C)(C)[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccc(F)cc1F ZINC000263324381 1029688888 /nfs/dbraw/zinc/68/88/88/1029688888.db2.gz OGXASMNHQWULEQ-JRPNMDOOSA-N -1 0 339.382 3.669 20 0 EHADRM CC(C)Oc1ccccc1C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000263356859 1029689990 /nfs/dbraw/zinc/68/99/90/1029689990.db2.gz XHOHYRWBVXBQRR-ZDUSSCGKSA-N -1 0 327.380 3.914 20 0 EHADRM COc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000263349107 1029690357 /nfs/dbraw/zinc/69/03/57/1029690357.db2.gz VAIQJEUOBGDSPZ-RYRKJORJSA-N -1 0 345.439 3.640 20 0 EHADRM Cc1ccc([C@H]2CCCN2Cc2c([O-])nnn2-c2ccccc2)s1 ZINC000114708384 1029693198 /nfs/dbraw/zinc/69/31/98/1029693198.db2.gz NLJUCORGQQOSHW-OAHLLOKOSA-N -1 0 340.452 3.680 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)N(C)[C@@H]2CC[C@@H](C)C2)s[n-]1 ZINC000583358501 1029698738 /nfs/dbraw/zinc/69/87/38/1029698738.db2.gz RSXADBYSDYIOPN-MWLCHTKSSA-N -1 0 336.486 3.649 20 0 EHADRM Cc1ccc(NC(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)c(C)c1 ZINC000263467021 1029700885 /nfs/dbraw/zinc/70/08/85/1029700885.db2.gz GMWJKQFOEZCBCL-QGZVFWFLSA-N -1 0 340.423 3.901 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(C(=O)N[C@@H](C)[C@H](C)C(=O)[O-])cc1F ZINC000263459138 1029701465 /nfs/dbraw/zinc/70/14/65/1029701465.db2.gz POSSELJVBGUHKB-RYUDHWBXSA-N -1 0 347.361 3.779 20 0 EHADRM CN(C(=O)CC1(CC(=O)[O-])CCC1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000634936197 1029725704 /nfs/dbraw/zinc/72/57/04/1029725704.db2.gz BSDIJNQGELUHAY-TXEJJXNPSA-N -1 0 335.366 3.601 20 0 EHADRM C[C@H](N=c1[n-]nc(-c2ccon2)s1)c1cc2cccc(F)c2o1 ZINC000343201863 1029728786 /nfs/dbraw/zinc/72/87/86/1029728786.db2.gz BRKNHHNPXPNYTL-QMMMGPOBSA-N -1 0 330.344 3.673 20 0 EHADRM COc1ccc([C@@H]2CCN(C(=O)c3ccc([O-])c(Cl)c3)C2)cc1 ZINC000156118075 1029757692 /nfs/dbraw/zinc/75/76/92/1029757692.db2.gz XEPLMKQYCWJPPX-CQSZACIVSA-N -1 0 331.799 3.684 20 0 EHADRM CCN=c1[n-]nc(SCc2ncc(-c3ccccc3C)o2)s1 ZINC000536016877 1029785168 /nfs/dbraw/zinc/78/51/68/1029785168.db2.gz GUGIEZMTDQBKIS-UHFFFAOYSA-N -1 0 332.454 3.648 20 0 EHADRM CCCCN(C(=O)N=c1[n-]nc(/C=C/c2ccco2)s1)C1CC1 ZINC000343221332 1029804844 /nfs/dbraw/zinc/80/48/44/1029804844.db2.gz URPIFERKCJGWGU-CMDGGOBGSA-N -1 0 332.429 3.520 20 0 EHADRM Fc1ccc(CN=c2[n-]nc(-c3ccccc3)o2)cc1C(F)(F)F ZINC000508575347 1029820665 /nfs/dbraw/zinc/82/06/65/1029820665.db2.gz DGGKVNZWNDSFAY-UHFFFAOYSA-N -1 0 337.276 3.929 20 0 EHADRM c1csc(-c2ncc(CN=c3[n-]nc(-c4ccccc4)o3)s2)c1 ZINC000508577025 1029854904 /nfs/dbraw/zinc/85/49/04/1029854904.db2.gz KBUGBNSKDXOVMK-UHFFFAOYSA-N -1 0 340.433 3.956 20 0 EHADRM c1sc(CN=c2[n-]nc(-c3ccccc3)o2)nc1-c1ccccc1 ZINC000508579955 1029872085 /nfs/dbraw/zinc/87/20/85/1029872085.db2.gz RICGVEIJQLAJEP-UHFFFAOYSA-N -1 0 334.404 3.894 20 0 EHADRM Cc1nc2ccccc2c(C)c1CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000237757314 1029890389 /nfs/dbraw/zinc/89/03/89/1029890389.db2.gz GHHVLONHOPLEBS-UHFFFAOYSA-N -1 0 334.375 3.731 20 0 EHADRM Cc1ccccc1C[C@H](C)N(C)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000447070625 1029920732 /nfs/dbraw/zinc/92/07/32/1029920732.db2.gz TZYZJUJLBSYWOA-NSHDSACASA-N -1 0 337.341 3.821 20 0 EHADRM CC[C@@H](C)n1ncc(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1C1CC1 ZINC000455789263 1029943234 /nfs/dbraw/zinc/94/32/34/1029943234.db2.gz LAGHDTAHENQLKG-IUODEOHRSA-N -1 0 349.475 3.741 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(C)(C)C)on2)c1 ZINC000120351229 1029967872 /nfs/dbraw/zinc/96/78/72/1029967872.db2.gz SIXIBFWEJWGYTN-UHFFFAOYSA-N -1 0 328.821 3.735 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OC(C)C)c2)s1 ZINC000447264217 1030053626 /nfs/dbraw/zinc/05/36/26/1030053626.db2.gz LVMIXOQKGXBQBV-UHFFFAOYSA-N -1 0 325.455 3.953 20 0 EHADRM CCc1ncc(S(=O)(=O)[N-]c2ccc(C)c(OC(C)C)c2)s1 ZINC000447264863 1030054143 /nfs/dbraw/zinc/05/41/43/1030054143.db2.gz PDKADTLULDKSHF-UHFFFAOYSA-N -1 0 340.470 3.602 20 0 EHADRM O=S(=O)([N-]c1ccc(Oc2ccccc2F)nc1)c1ccccc1 ZINC000447268754 1030056023 /nfs/dbraw/zinc/05/60/23/1030056023.db2.gz XLKXPHRRWLKCDU-UHFFFAOYSA-N -1 0 344.367 3.814 20 0 EHADRM COc1cc(C)cc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1C ZINC000447282481 1030064269 /nfs/dbraw/zinc/06/42/69/1030064269.db2.gz ZNGRDMAQJZHLKF-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM Cc1cc(CN=c2[n-]nc(-c3ccccc3)o2)cc(C)c1OC(F)F ZINC000508592047 1030077630 /nfs/dbraw/zinc/07/76/30/1030077630.db2.gz ZQYMNJWHNVUYDR-UHFFFAOYSA-N -1 0 345.349 3.989 20 0 EHADRM CC(C)[C@H](NC(=O)c1n[nH]c(=O)[n-]1)c1ccc(C2CCCCC2)cc1 ZINC000525757520 1030080471 /nfs/dbraw/zinc/08/04/71/1030080471.db2.gz FOKIKFNPUIQODB-INIZCTEOSA-N -1 0 342.443 3.685 20 0 EHADRM CCSCc1ccnc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000090367895 1030105550 /nfs/dbraw/zinc/10/55/50/1030105550.db2.gz SVEGJATZVVFLHA-UHFFFAOYSA-N -1 0 336.482 3.752 20 0 EHADRM CCOc1ccccc1N=c1[n-]nc(S[C@H](C)CCOC)s1 ZINC000447350283 1030130415 /nfs/dbraw/zinc/13/04/15/1030130415.db2.gz QXKAAXIXHPPNES-LLVKDONJSA-N -1 0 339.486 3.619 20 0 EHADRM CC(C)(C)c1nc(=N[C@H]2CCCc3cn(C4CCCC4)nc32)[n-]o1 ZINC000525832560 1030177318 /nfs/dbraw/zinc/17/73/18/1030177318.db2.gz NNZLXYMQCKTSRF-AWEZNQCLSA-N -1 0 329.448 3.590 20 0 EHADRM Cc1cc(C)cc(-c2nnc([N-]S(=O)(=O)c3ccccc3)s2)c1 ZINC000121265133 1030226860 /nfs/dbraw/zinc/22/68/60/1030226860.db2.gz IPSNTYMFRGHVTL-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM CCCCS(=O)(=O)[N-]C(=O)COc1cc(C(C)C)ccc1C ZINC000042343513 1030257329 /nfs/dbraw/zinc/25/73/29/1030257329.db2.gz BWRZSFHVTBZOJS-UHFFFAOYSA-N -1 0 327.446 3.584 20 0 EHADRM O=C([O-])[C@@H](c1ccsc1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000583642658 1030335161 /nfs/dbraw/zinc/33/51/61/1030335161.db2.gz PPFYKFQCKNTUHY-LSDHHAIUSA-N -1 0 337.828 3.601 20 0 EHADRM C[C@H]1CN(c2ccc(NC(=O)c3ccc([O-])c(Cl)c3)cc2)CCO1 ZINC000129179099 1030382887 /nfs/dbraw/zinc/38/28/87/1030382887.db2.gz XWBVNUUUNGUEEY-LBPRGKRZSA-N -1 0 346.814 3.523 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)c3scnc3C3CCCC3)[nH][n-]2)o1 ZINC000447799616 1030484020 /nfs/dbraw/zinc/48/40/20/1030484020.db2.gz KLGZHNOUIVWBHM-UHFFFAOYSA-N -1 0 342.424 3.766 20 0 EHADRM Cc1ccc(Nc2nccnc2OCc2ccccc2)cc1C(=O)[O-] ZINC001211594207 1030486963 /nfs/dbraw/zinc/48/69/63/1030486963.db2.gz OYWKLYSQQWHDFA-UHFFFAOYSA-N -1 0 335.363 3.806 20 0 EHADRM COc1nc(C(F)(F)F)ccc1-c1cc(CC(=O)[O-])ccc1C ZINC000583704855 1030518474 /nfs/dbraw/zinc/51/84/74/1030518474.db2.gz UGODZOGJTHPYMW-UHFFFAOYSA-N -1 0 325.286 3.712 20 0 EHADRM Cc1ccc(C(=O)C(=O)Nc2cc(C)cc(Br)c2[O-])cc1 ZINC000482573722 1030547939 /nfs/dbraw/zinc/54/79/39/1030547939.db2.gz GARGBGKHLOUUHN-UHFFFAOYSA-N -1 0 348.196 3.593 20 0 EHADRM Brc1cscc1CSc1n[n-]c(=NC2CC2)s1 ZINC000583731423 1030577897 /nfs/dbraw/zinc/57/78/97/1030577897.db2.gz SIQCNXYOTNDBMA-UHFFFAOYSA-N -1 0 348.316 3.651 20 0 EHADRM O=C(Nc1c(-c2ccco2)nc2ccccn21)c1c([O-])cccc1F ZINC000193656454 1030596530 /nfs/dbraw/zinc/59/65/30/1030596530.db2.gz PFTYSMAJQTVHPW-UHFFFAOYSA-N -1 0 337.310 3.691 20 0 EHADRM CCSc1n[n-]c(=NCc2cccc(-c3cccnc3)c2)s1 ZINC000447966539 1030614101 /nfs/dbraw/zinc/61/41/01/1030614101.db2.gz WUAYDEMTDADWRM-UHFFFAOYSA-N -1 0 328.466 3.746 20 0 EHADRM C/C=C\C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3)C(=O)[O-] ZINC000583746331 1030614021 /nfs/dbraw/zinc/61/40/21/1030614021.db2.gz LKHAVBOXNGSEBC-KVLZDYKBSA-N -1 0 340.423 3.586 20 0 EHADRM CC[C@]1(C)CCCN(C(=O)N=c2[n-]nc(/C=C/c3ccco3)s2)C1 ZINC000343384771 1030614359 /nfs/dbraw/zinc/61/43/59/1030614359.db2.gz BAHZPUXUWZAAFZ-IWAYRVGRSA-N -1 0 346.456 3.767 20 0 EHADRM CC(C)(C)c1cnc(CN=c2[n-]nc(Cc3cccc(F)c3)o2)s1 ZINC000447953234 1030622508 /nfs/dbraw/zinc/62/25/08/1030622508.db2.gz SEJNSNXDUZOEEG-UHFFFAOYSA-N -1 0 346.431 3.588 20 0 EHADRM Cc1ccc(Nc2cc(Br)c3nccn3c2)cc1C(=O)[O-] ZINC001211596550 1030651360 /nfs/dbraw/zinc/65/13/60/1030651360.db2.gz GNORYUCVIUPOFB-UHFFFAOYSA-N -1 0 346.184 3.847 20 0 EHADRM COc1ccc(F)cc1NC(=O)c1ccc(Br)c([O-])c1 ZINC000093789813 1030677948 /nfs/dbraw/zinc/67/79/48/1030677948.db2.gz VBJKGCVYTUMDOX-UHFFFAOYSA-N -1 0 340.148 3.555 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CNC(=O)CC(C)(C)CC(=O)[O-])c2ccccc21 ZINC000448108524 1030731811 /nfs/dbraw/zinc/73/18/11/1030731811.db2.gz KVXIQUGUBWRQTA-YOEHRIQHSA-N -1 0 331.456 3.921 20 0 EHADRM CC(C)(NC(=O)N=c1ccc(-c2ccccc2)n[n-]1)c1ccccc1 ZINC000448156877 1030779668 /nfs/dbraw/zinc/77/96/68/1030779668.db2.gz PXMNYAYIXYKBFG-UHFFFAOYSA-N -1 0 332.407 3.622 20 0 EHADRM O=C(N=c1nc(-c2ccsc2)[n-]s1)c1cc(F)ccc1Cl ZINC000550934497 1030819771 /nfs/dbraw/zinc/81/97/71/1030819771.db2.gz HELKDVQUUZVEPO-UHFFFAOYSA-N -1 0 339.804 3.733 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCCCC[C@@H]1CCO ZINC000671899122 1030862944 /nfs/dbraw/zinc/86/29/44/1030862944.db2.gz KZDJHWMVCRWMRE-CYBMUJFWSA-N -1 0 347.842 3.966 20 0 EHADRM C[C@H](N(C)C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C(C)(C)C ZINC000666035080 1030882975 /nfs/dbraw/zinc/88/29/75/1030882975.db2.gz VVVZZABNGNRLHH-NSHDSACASA-N -1 0 335.835 3.738 20 0 EHADRM Cn1ccnc1-c1cccc(NC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000097125748 1030897108 /nfs/dbraw/zinc/89/71/08/1030897108.db2.gz SBFZTSSBYFFHPU-UHFFFAOYSA-N -1 0 327.771 3.698 20 0 EHADRM CCN(c1ccc([N-]S(=O)(=O)c2ccccc2F)cc1)C(C)C ZINC000320996736 1030915189 /nfs/dbraw/zinc/91/51/89/1030915189.db2.gz NCSODWOXRKQUBW-UHFFFAOYSA-N -1 0 336.432 3.861 20 0 EHADRM CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)cc1 ZINC000157883984 1030918209 /nfs/dbraw/zinc/91/82/09/1030918209.db2.gz NXQBJSTVUGSMAR-UHFFFAOYSA-N -1 0 345.424 3.541 20 0 EHADRM CCN(Cc1ccc(OC)cc1)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000162612785 1031129700 /nfs/dbraw/zinc/12/97/00/1031129700.db2.gz KCJPQWXDFMOGNI-UHFFFAOYSA-N -1 0 337.778 3.856 20 0 EHADRM CCCc1csc(CN=c2[n-]nc(-c3ccc(C)cc3C)o2)n1 ZINC000551325284 1031235880 /nfs/dbraw/zinc/23/58/80/1031235880.db2.gz DIINTUAHLAKTBI-UHFFFAOYSA-N -1 0 328.441 3.796 20 0 EHADRM COCc1n[n-]c(=NCc2ccc(C)cc2O[C@H](C)CC(C)C)s1 ZINC000477112745 1031264544 /nfs/dbraw/zinc/26/45/44/1031264544.db2.gz RYZVZIIPHRZFPP-CQSZACIVSA-N -1 0 349.500 3.840 20 0 EHADRM O=C([O-])c1cccc(NCc2ccc(OCC(F)(F)F)cc2)c1 ZINC000551420731 1031315409 /nfs/dbraw/zinc/31/54/09/1031315409.db2.gz HWAISOUKNIENAE-UHFFFAOYSA-N -1 0 325.286 3.938 20 0 EHADRM O=S(=O)([N-]c1cncc2ccccc21)c1cccc(Cl)c1F ZINC000536183593 1031348258 /nfs/dbraw/zinc/34/82/58/1031348258.db2.gz HCHZRMHFCCLCTR-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)CC1CC(F)(F)C1 ZINC000668275242 1031364649 /nfs/dbraw/zinc/36/46/49/1031364649.db2.gz VUUOYFXQHFQPSD-UHFFFAOYSA-N -1 0 339.363 3.651 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cc1O)c1cc(Cl)ccc1F ZINC000551466926 1031366487 /nfs/dbraw/zinc/36/64/87/1031366487.db2.gz IZPFPLQXHQOADZ-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1ccc(C)c(OC(C)C)c1 ZINC000278562100 1031397436 /nfs/dbraw/zinc/39/74/36/1031397436.db2.gz PSPXRNHZULWRBZ-UHFFFAOYSA-N -1 0 341.454 3.653 20 0 EHADRM CC[C@@H](C)[C@@H](OC)C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000668289836 1031406019 /nfs/dbraw/zinc/40/60/19/1031406019.db2.gz FBCHRGLPCVHFOX-OMWUSAIZSA-N -1 0 343.423 3.533 20 0 EHADRM Cc1ccccc1-c1nc(=N[C@@H](C)C[C@H](O)c2cccs2)s[n-]1 ZINC000527937101 1031460683 /nfs/dbraw/zinc/46/06/83/1031460683.db2.gz BNRZHUWZKCPRRV-JSGCOSHPSA-N -1 0 345.493 3.921 20 0 EHADRM CCCCc1nnc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)o1 ZINC000194803328 1031529372 /nfs/dbraw/zinc/52/93/72/1031529372.db2.gz ZSECBUCKSWPHBL-UHFFFAOYSA-N -1 0 343.474 3.572 20 0 EHADRM COC(=O)c1cnc2ccc(Nc3ccc(C)c(C(=O)[O-])c3)cc2c1 ZINC001211608537 1031579242 /nfs/dbraw/zinc/57/92/42/1031579242.db2.gz YSTVAXOPRHCXQL-UHFFFAOYSA-N -1 0 336.347 3.772 20 0 EHADRM CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1cc(C)cc(F)c1 ZINC000484460753 1031593859 /nfs/dbraw/zinc/59/38/59/1031593859.db2.gz YHIXQJHUCGOPQQ-UHFFFAOYSA-N -1 0 339.436 3.630 20 0 EHADRM CC[C@@H](C)CN(C)C(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000084390452 1031621230 /nfs/dbraw/zinc/62/12/30/1031621230.db2.gz IESULXQZOAQPIV-MRVPVSSYSA-N -1 0 334.641 3.926 20 0 EHADRM O=C([O-])[C@@H]1C[N@H+](Cc2cscc2Cl)C[C@H]1c1ccc(F)cc1 ZINC000904030139 1031637655 /nfs/dbraw/zinc/63/76/55/1031637655.db2.gz HBIPATXRRZGFMX-UONOGXRCSA-N -1 0 339.819 3.841 20 0 EHADRM COCc1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1C ZINC000484512015 1031664037 /nfs/dbraw/zinc/66/40/37/1031664037.db2.gz DFZKKNMLSWMEPT-UHFFFAOYSA-N -1 0 325.817 3.596 20 0 EHADRM CC[C@H](NCc1cc2cc(C)c(C)cc2o1)c1nc(C(=O)[O-])c[nH]1 ZINC000904063908 1031688588 /nfs/dbraw/zinc/68/85/88/1031688588.db2.gz FZXVKDKUFQXQPJ-AWEZNQCLSA-N -1 0 327.384 3.712 20 0 EHADRM Cc1ccc(-c2noc(CN3CCCc4c(C(=O)[O-])cccc43)n2)cc1 ZINC000548818567 1031700612 /nfs/dbraw/zinc/70/06/12/1031700612.db2.gz UJJQGGSCARJNGB-UHFFFAOYSA-N -1 0 349.390 3.696 20 0 EHADRM Cc1ncc(CN(C)[C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)s1 ZINC000565103743 1031713902 /nfs/dbraw/zinc/71/39/02/1031713902.db2.gz PBSFKLOLEUUIKR-CYBMUJFWSA-N -1 0 344.358 3.728 20 0 EHADRM O=S(=O)([N-]c1cc(-c2ccccc2)on1)c1ccc(Cl)s1 ZINC000085235219 1031719941 /nfs/dbraw/zinc/71/99/41/1031719941.db2.gz BTRBUQFHFOAVBX-UHFFFAOYSA-N -1 0 340.813 3.857 20 0 EHADRM Cc1ccc(C(=O)[C@H](Sc2n[nH]c(=O)[n-]2)c2ccc(C)cc2)cc1 ZINC000484562550 1031740365 /nfs/dbraw/zinc/74/03/65/1031740365.db2.gz LPFVKNFCNZLRJT-MRXNPFEDSA-N -1 0 339.420 3.843 20 0 EHADRM CO[C@@]1(c2noc(-c3cc(Cl)cc(Cl)c3[O-])n2)CCSC1 ZINC000904161476 1031783331 /nfs/dbraw/zinc/78/33/31/1031783331.db2.gz VHCJYSXVZBPFHU-ZDUSSCGKSA-N -1 0 347.223 3.728 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(C)(C)C)no2)c1 ZINC000179542355 1031783769 /nfs/dbraw/zinc/78/37/69/1031783769.db2.gz OBFPMBQNPGUMKV-UHFFFAOYSA-N -1 0 328.821 3.735 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CC(C(F)(F)F)C1 ZINC000551989149 1031821895 /nfs/dbraw/zinc/82/18/95/1031821895.db2.gz SLNHKDUBLLRJQX-UHFFFAOYSA-N -1 0 329.705 3.833 20 0 EHADRM CCS[C@@H]1CC[C@H](N(C)C(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000180091253 1031841650 /nfs/dbraw/zinc/84/16/50/1031841650.db2.gz YSPOMCQDWQHVOK-DTWKUNHWSA-N -1 0 333.375 3.556 20 0 EHADRM CC1CCN(c2ccc(N[C@@H]3C[C@@H](NC(=O)[O-])C34CCC4)cc2)CC1 ZINC000904199591 1031845130 /nfs/dbraw/zinc/84/51/30/1031845130.db2.gz LALMQLZXSHNMHW-QZTJIDSGSA-N -1 0 343.471 3.914 20 0 EHADRM Cc1ccc(N[C@H]2C[C@@H](NC(=O)[O-])C23CCC3)cc1OCC(F)F ZINC000904199142 1031846276 /nfs/dbraw/zinc/84/62/76/1031846276.db2.gz GXAPWAOXQLSFCB-UONOGXRCSA-N -1 0 340.370 3.630 20 0 EHADRM Cc1coc(-c2cc(N[C@@H]3C[C@H](NC(=O)[O-])C34CCC4)ccc2C)n1 ZINC000904199454 1031846391 /nfs/dbraw/zinc/84/63/91/1031846391.db2.gz KEOXXPUQWYPPCG-CVEARBPZSA-N -1 0 341.411 3.949 20 0 EHADRM O=S(=O)([N-]c1cncc2ccccc21)c1cc(F)cc(Cl)c1 ZINC000533938797 1031887849 /nfs/dbraw/zinc/88/78/49/1031887849.db2.gz GYKGCVCLVJRNQX-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM CCCCCOCC(=O)N[C@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000448989816 1031998392 /nfs/dbraw/zinc/99/83/92/1031998392.db2.gz HHFGPWKZXPSTGU-GOSISDBHSA-N -1 0 343.423 3.679 20 0 EHADRM C[C@@H](C(=O)N[C@@](C)(CC(=O)[O-])c1cccc(F)c1)c1cccc(F)c1 ZINC000448996943 1032002586 /nfs/dbraw/zinc/00/25/86/1032002586.db2.gz SLDKXIAGVBRRKU-BLVKFPJESA-N -1 0 347.361 3.575 20 0 EHADRM CC(C)c1ccc(C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)s1 ZINC000448997554 1032005013 /nfs/dbraw/zinc/00/50/13/1032005013.db2.gz SYIKZDCHGHUMQL-ZDUSSCGKSA-N -1 0 335.400 3.609 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(C(=O)NC[C@@H](C)CC(=O)[O-])cc1F ZINC000537485037 1033295532 /nfs/dbraw/zinc/29/55/32/1033295532.db2.gz CXBHXBQNIASCJU-NSHDSACASA-N -1 0 347.361 3.781 20 0 EHADRM Fc1cccc(Cc2n[n-]c(=NCc3cnc(C4CC4)s3)s2)c1 ZINC000537491514 1033383780 /nfs/dbraw/zinc/38/37/80/1033383780.db2.gz DDYFZSFJDWXOIH-UHFFFAOYSA-N -1 0 346.456 3.636 20 0 EHADRM COC(=O)C1(c2ccc(Nc3ccc(C(=O)[O-])cc3C)cc2)CC1 ZINC001211624684 1033399369 /nfs/dbraw/zinc/39/93/69/1033399369.db2.gz QJGDFCHZTVNLHJ-UHFFFAOYSA-N -1 0 325.364 3.641 20 0 EHADRM CC(C)c1nc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)c[nH]1 ZINC000608007035 1033434880 /nfs/dbraw/zinc/43/48/80/1033434880.db2.gz AMDPYKFMGWQGIB-UHFFFAOYSA-N -1 0 334.228 3.641 20 0 EHADRM Cc1cc(F)c(S(=O)(=O)[N-]c2ncccc2C(C)C)c(F)c1 ZINC000424202418 1033479775 /nfs/dbraw/zinc/47/97/75/1033479775.db2.gz AMOGIPOORULSFQ-UHFFFAOYSA-N -1 0 326.368 3.592 20 0 EHADRM CCCC[C@@H](CC)CNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000046661145 1033556450 /nfs/dbraw/zinc/55/64/50/1033556450.db2.gz XHGUTZWBBYOLQU-LLVKDONJSA-N -1 0 333.457 3.944 20 0 EHADRM COCc1cc(-c2ccc3c(c2)CC[C@@]32C[C@H]2C(=O)[O-])ccc1OC ZINC000574822698 1033575094 /nfs/dbraw/zinc/57/50/94/1033575094.db2.gz CHSXKHZPFNJETB-GHTZIAJQSA-N -1 0 338.403 3.797 20 0 EHADRM O=C(c1cc(Br)c(F)cc1[O-])N1CCC[C@@H]2CCC[C@H]21 ZINC000450006756 1033581763 /nfs/dbraw/zinc/58/17/63/1033581763.db2.gz VGZRLKVZKVWGBF-TVQRCGJNSA-N -1 0 342.208 3.699 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)c2c(C)ccc(C)c2C(=O)[O-])cc1 ZINC000326654069 1033599712 /nfs/dbraw/zinc/59/97/12/1033599712.db2.gz YPGFHAAQJLOIRX-CYBMUJFWSA-N -1 0 327.380 3.501 20 0 EHADRM O=C([O-])[C@@H](CC(=O)N[C@H](CC1CC1)c1ccccc1)c1ccccc1 ZINC000608340171 1033611198 /nfs/dbraw/zinc/61/11/98/1033611198.db2.gz GDOZJRQXLQCNEH-RBUKOAKNSA-N -1 0 337.419 3.903 20 0 EHADRM O=C(c1cc(Br)c(F)cc1[O-])N1C[C@@H]2CCCC[C@H]2C1 ZINC000450066895 1033706577 /nfs/dbraw/zinc/70/65/77/1033706577.db2.gz NPLZSAZAFUGSHY-UWVGGRQHSA-N -1 0 342.208 3.556 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N(CC(=O)[O-])CC(C)(C)C ZINC000595277967 1033727364 /nfs/dbraw/zinc/72/73/64/1033727364.db2.gz SOVGJHXTMFJWSP-UHFFFAOYSA-N -1 0 349.452 3.869 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000108066485 1033752157 /nfs/dbraw/zinc/75/21/57/1033752157.db2.gz ASPKKBZJPAHRIQ-JBEBIEQOSA-N -1 0 347.455 3.934 20 0 EHADRM CC1(CS(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)CCCCC1 ZINC000431626047 1033775002 /nfs/dbraw/zinc/77/50/02/1033775002.db2.gz SIIHPMRARMPJEE-AWEZNQCLSA-N -1 0 331.428 3.883 20 0 EHADRM O=S(=O)(Cc1cccc(Cl)c1)[N-][C@H](c1ccccc1)C(F)F ZINC000431625796 1033775746 /nfs/dbraw/zinc/77/57/46/1033775746.db2.gz QFEGXNZUZAACEL-CQSZACIVSA-N -1 0 345.798 3.766 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000608755067 1033861141 /nfs/dbraw/zinc/86/11/41/1033861141.db2.gz KAVKJDWFPPWFAP-IRXDYDNUSA-N -1 0 331.412 3.717 20 0 EHADRM Cc1ccccc1N=c1[n-]nc([C@@H]2CCCO2)n1CCc1ccccc1 ZINC000460438746 1033914165 /nfs/dbraw/zinc/91/41/65/1033914165.db2.gz RAXKPLNYUPRFCO-IBGZPJMESA-N -1 0 348.450 3.846 20 0 EHADRM O=C([O-])Cc1ccc(-c2ccc(OC[C@H]3CCCCO3)cc2)cc1O ZINC000516785485 1033948883 /nfs/dbraw/zinc/94/88/83/1033948883.db2.gz LGQPCSCZHIGIAY-GOSISDBHSA-N -1 0 342.391 3.634 20 0 EHADRM CCOc1ccc(Oc2ccc(Cl)cc2[N-]S(C)(=O)=O)cc1 ZINC000612052117 1033960961 /nfs/dbraw/zinc/96/09/61/1033960961.db2.gz OCDBCUPQVIQIFE-UHFFFAOYSA-N -1 0 341.816 3.903 20 0 EHADRM CSCCc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC000609015793 1033976513 /nfs/dbraw/zinc/97/65/13/1033976513.db2.gz HUHVRYUZMWWNDY-UHFFFAOYSA-N -1 0 343.420 3.671 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cccc(C(C)C)c1 ZINC000460448223 1034071111 /nfs/dbraw/zinc/07/11/11/1034071111.db2.gz LGJDXOGSZAXQPA-UHFFFAOYSA-N -1 0 333.409 3.617 20 0 EHADRM Cc1cc(Nc2ccc3ccccc3c2S(=O)(=O)[O-])cnc1F ZINC001212188320 1034117180 /nfs/dbraw/zinc/11/71/80/1034117180.db2.gz BRFYCQZCZXPYQZ-UHFFFAOYSA-N -1 0 332.356 3.673 20 0 EHADRM Cc1ccc(F)c(C(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)c1 ZINC000599725633 1034128610 /nfs/dbraw/zinc/12/86/10/1034128610.db2.gz DYNVMTXTKRRRMK-UHFFFAOYSA-N -1 0 347.802 3.980 20 0 EHADRM CCC(=O)c1ccc(OCC(=O)Nc2cc(Cl)ccc2O)cc1 ZINC000057289346 1034137833 /nfs/dbraw/zinc/13/78/33/1034137833.db2.gz VMBUYAJGQOTKST-UHFFFAOYSA-N -1 0 333.771 3.656 20 0 EHADRM Cc1cc(C)n(-c2ccc([C@H](C)N=c3[n-]nc(C(C)C)o3)cc2)n1 ZINC000450380727 1034213451 /nfs/dbraw/zinc/21/34/51/1034213451.db2.gz SNTSHLMIBMIFSZ-AWEZNQCLSA-N -1 0 325.416 3.591 20 0 EHADRM COc1ccc2nc([N-]S(=O)(=O)Cc3ccc(C)cc3)sc2c1 ZINC000074932363 1034251822 /nfs/dbraw/zinc/25/18/22/1034251822.db2.gz MVYRCJUEYRYUET-UHFFFAOYSA-N -1 0 348.449 3.555 20 0 EHADRM Cc1ccc(-c2ncc(C(=O)N=c3cc(C)c(C)n[n-]3)s2)c(C)c1 ZINC000604233271 1034288103 /nfs/dbraw/zinc/28/81/03/1034288103.db2.gz JYSPOHKSBNWVST-UHFFFAOYSA-N -1 0 338.436 3.508 20 0 EHADRM COc1c(F)cc(F)cc1[N-]S(=O)(=O)/C=C/c1ccccc1F ZINC000799922753 1034315332 /nfs/dbraw/zinc/31/53/32/1034315332.db2.gz QESAFRJOUJALGH-VOTSOKGWSA-N -1 0 343.326 3.525 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2ccc(CC)s2)cc1OC ZINC000121057941 1034367697 /nfs/dbraw/zinc/36/76/97/1034367697.db2.gz PDMOVQVSMFREID-UHFFFAOYSA-N -1 0 341.454 3.519 20 0 EHADRM COc1cccc(CCC(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)c1F ZINC000450509036 1034447266 /nfs/dbraw/zinc/44/72/66/1034447266.db2.gz HAUVXUCZGKDLQX-UHFFFAOYSA-N -1 0 345.370 3.721 20 0 EHADRM CC(C)(C)OCc1ccccc1C(=O)N=c1nc(C2(C)CC2)[n-]s1 ZINC000529699846 1034447719 /nfs/dbraw/zinc/44/77/19/1034447719.db2.gz VKVJNUHRCIBEQE-UHFFFAOYSA-N -1 0 345.468 3.579 20 0 EHADRM CN(c1ccccc1)c1ccccc1C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000604708931 1034462889 /nfs/dbraw/zinc/46/28/89/1034462889.db2.gz UYWRHUJNQNIVKH-UHFFFAOYSA-N -1 0 344.418 3.796 20 0 EHADRM Cc1cc(F)cc([C@]2(F)CCN(C(=O)c3cccc(C(=O)[O-])c3)C2)c1 ZINC000450541943 1034494150 /nfs/dbraw/zinc/49/41/50/1034494150.db2.gz FRNHLIRVPWKVMY-IBGZPJMESA-N -1 0 345.345 3.543 20 0 EHADRM Cc1c(CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])sc2ccc(Cl)cc12 ZINC000450541834 1034494286 /nfs/dbraw/zinc/49/42/86/1034494286.db2.gz RLRBSJPIIRPNNG-WDEREUQCSA-N -1 0 337.828 3.590 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)NC2(c3ccc(F)cc3)CCC2)s[n-]1 ZINC000604800485 1034509337 /nfs/dbraw/zinc/50/93/37/1034509337.db2.gz YHCXDCSIBJPFPI-UHFFFAOYSA-N -1 0 348.447 3.598 20 0 EHADRM Cc1cccc(C)c1[C@@H](C)NC(=O)CCc1ccccc1C(=O)[O-] ZINC000450539236 1034515376 /nfs/dbraw/zinc/51/53/76/1034515376.db2.gz JCQSUKAHXMXBHG-OAHLLOKOSA-N -1 0 325.408 3.812 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](Nc2ccnc3c(Br)cccc23)C1 ZINC000647459703 1034596812 /nfs/dbraw/zinc/59/68/12/1034596812.db2.gz WJMYNCRYQUJVOS-ZJUUUORDSA-N -1 0 335.201 3.663 20 0 EHADRM C[C@H](CCC(=O)N=c1nc(-c2cccnc2)[n-]s1)c1ccccc1 ZINC000534493965 1034606316 /nfs/dbraw/zinc/60/63/16/1034606316.db2.gz MCUYNZOBBAJCQQ-CYBMUJFWSA-N -1 0 338.436 3.544 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000060493989 1034609286 /nfs/dbraw/zinc/60/92/86/1034609286.db2.gz IAEIBWTUIJPJMB-UHFFFAOYSA-N -1 0 343.326 3.707 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2cc3c(ccc4ccccc34)[nH]2)c1 ZINC000431640455 1034626318 /nfs/dbraw/zinc/62/63/18/1034626318.db2.gz QOWLUPUITDNKJE-UHFFFAOYSA-N -1 0 344.370 3.949 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc3c(s2)CCC3)c(C)c1 ZINC000060498588 1034628013 /nfs/dbraw/zinc/62/80/13/1034628013.db2.gz VIYXGLGSMNUCGJ-UHFFFAOYSA-N -1 0 335.450 3.547 20 0 EHADRM CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1N=c1[n-]nc(C2CC2)s1 ZINC000343815041 1034703754 /nfs/dbraw/zinc/70/37/54/1034703754.db2.gz SCHHDOYBXFUCJJ-OWCLPIDISA-N -1 0 329.469 3.601 20 0 EHADRM O=S(=O)([N-]c1cc(C2CCCC2)[nH]n1)c1cc2cc(F)ccc2o1 ZINC000569781209 1034709907 /nfs/dbraw/zinc/70/99/07/1034709907.db2.gz RXYXNDIMONSISQ-UHFFFAOYSA-N -1 0 349.387 3.753 20 0 EHADRM FC1(F)CCC[C@@H]1CSc1n[n-]c(=NCc2ccco2)s1 ZINC000450732289 1034738294 /nfs/dbraw/zinc/73/82/94/1034738294.db2.gz FZXJIWWOHAYRFB-SECBINFHSA-N -1 0 331.413 3.693 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(C(=O)[O-])c2)nn1-c1cc(C)cc(C)c1 ZINC000431644206 1034744201 /nfs/dbraw/zinc/74/42/01/1034744201.db2.gz HFZRVNOKSRJCSO-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM O=C(N=c1cccn[n-]1)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000605469139 1034750231 /nfs/dbraw/zinc/75/02/31/1034750231.db2.gz XEBADLUDAXJOJT-UHFFFAOYSA-N -1 0 325.755 3.597 20 0 EHADRM CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccccc1C#N ZINC000076759273 1034769386 /nfs/dbraw/zinc/76/93/86/1034769386.db2.gz YWEHKJMZXTZGNX-CQSZACIVSA-N -1 0 336.457 3.951 20 0 EHADRM COCC[C@H](N=c1[n-]c(C(C)C)no1)c1cccc(C(F)(F)F)c1 ZINC000450803895 1034815312 /nfs/dbraw/zinc/81/53/12/1034815312.db2.gz LSPHMOFQIXHVFE-ZDUSSCGKSA-N -1 0 343.349 3.823 20 0 EHADRM Cc1ccc(-c2cccnc2)cc1NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-] ZINC000601985191 1034848582 /nfs/dbraw/zinc/84/85/82/1034848582.db2.gz YCAMATCBGMWVLU-STQMWFEESA-N -1 0 344.436 3.590 20 0 EHADRM CCSCc1ccnc([N-]S(=O)(=O)c2ccc(C(F)F)o2)c1 ZINC000601962677 1034850274 /nfs/dbraw/zinc/85/02/74/1034850274.db2.gz NZSDUBCQVCLYTI-UHFFFAOYSA-N -1 0 348.396 3.666 20 0 EHADRM Cc1cc(C)cc(-c2cc([N-]S(=O)(=O)c3cccs3)n[nH]2)c1 ZINC000472428086 1034911618 /nfs/dbraw/zinc/91/16/18/1034911618.db2.gz JKKSWWIEPPZKTJ-UHFFFAOYSA-N -1 0 333.438 3.556 20 0 EHADRM O=C([O-])Cc1ccc(-c2cc(F)ccc2OC[C@@H]2CCOC2)s1 ZINC000584480535 1034931777 /nfs/dbraw/zinc/93/17/77/1034931777.db2.gz FPARQPXAJWTDKD-LLVKDONJSA-N -1 0 336.384 3.597 20 0 EHADRM CCCOc1ccc([N-]S(=O)(=O)c2cc(C)cs2)c(C)c1 ZINC000450986905 1034999395 /nfs/dbraw/zinc/99/93/95/1034999395.db2.gz SNKMLFVDLFIIPF-UHFFFAOYSA-N -1 0 325.455 3.955 20 0 EHADRM COc1cncc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(C)C)c1 ZINC000530146205 1035006832 /nfs/dbraw/zinc/00/68/32/1035006832.db2.gz ASSBKBYBQYUFEH-UHFFFAOYSA-N -1 0 340.832 3.668 20 0 EHADRM O=C([O-])[C@H]1c2ccoc2CCN1CCc1cc(Cl)ccc1Cl ZINC000530166413 1035015321 /nfs/dbraw/zinc/01/53/21/1035015321.db2.gz MMBCVZWWMCHVIN-OAHLLOKOSA-N -1 0 340.206 3.813 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)Cc2ccccc2C(=O)[O-])s1 ZINC000347355320 1035032418 /nfs/dbraw/zinc/03/24/18/1035032418.db2.gz VXJRBLQWVVRXLS-OAHLLOKOSA-N -1 0 329.421 3.661 20 0 EHADRM Cc1cccc(C(=O)Nc2ccc3c(ccn3CC(=O)[O-])c2)c1Cl ZINC000431665923 1035129141 /nfs/dbraw/zinc/12/91/41/1035129141.db2.gz HKXBUUTXSXPIQT-UHFFFAOYSA-N -1 0 342.782 3.940 20 0 EHADRM Cc1cnc([C@H](C)CNc2ncnc3sc(C(=O)[O-])c(C)c32)s1 ZINC000570216437 1035139945 /nfs/dbraw/zinc/13/99/45/1035139945.db2.gz QQWWUYXLTFTCLE-SSDOTTSWSA-N -1 0 348.453 3.678 20 0 EHADRM COc1c(F)ccc(F)c1C(=O)Nc1cc(C)c(C)c(C(=O)[O-])c1 ZINC000431674812 1035191500 /nfs/dbraw/zinc/19/15/00/1035191500.db2.gz FSZDYCMBLXXYCM-UHFFFAOYSA-N -1 0 335.306 3.541 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)NC(C)(C)c1nc(C)cc(=O)[nH]1 ZINC000636115031 1035201005 /nfs/dbraw/zinc/20/10/05/1035201005.db2.gz MKOQSXHYEWEQGS-UHFFFAOYSA-N -1 0 339.395 3.519 20 0 EHADRM Cc1ccnc(Cl)c1NS(=O)(=O)c1ccc(Cl)cc1C ZINC000235822798 1035205923 /nfs/dbraw/zinc/20/59/23/1035205923.db2.gz MIJXTVYWWYLQFW-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2ccc3ccc(Cl)cc3n2)c1 ZINC000431680827 1035209329 /nfs/dbraw/zinc/20/93/29/1035209329.db2.gz VYQKRPXRIOTITB-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM Cc1cccc(C2(C(=O)[O-])CCN(C(=O)N(C)CC(C)(C)C)CC2)c1 ZINC000548993005 1035411787 /nfs/dbraw/zinc/41/17/87/1035411787.db2.gz NBAGWSDTEFPPQI-UHFFFAOYSA-N -1 0 346.471 3.511 20 0 EHADRM Cc1ccn([C@@H](C)CC(=O)Nc2cc(Cl)c([O-])c(Cl)c2)n1 ZINC000613162136 1035430957 /nfs/dbraw/zinc/43/09/57/1035430957.db2.gz YYPMLASOVVIMBJ-VIFPVBQESA-N -1 0 328.199 3.794 20 0 EHADRM CCC[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1sccc1Cl ZINC000835947675 1035439800 /nfs/dbraw/zinc/43/98/00/1035439800.db2.gz RXHXWWHJAHHNDZ-JTQLQIEISA-N -1 0 337.894 3.669 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1cnc2ccccc2c1C ZINC000431771688 1035461047 /nfs/dbraw/zinc/46/10/47/1035461047.db2.gz WTSZRBQZRMCXMI-LJQANCHMSA-N -1 0 348.402 3.797 20 0 EHADRM CC(C)(CNC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1)c1ccccn1 ZINC000414092044 1035476729 /nfs/dbraw/zinc/47/67/29/1035476729.db2.gz MDXMJFODXIBYJV-HXUWFJFHSA-N -1 0 346.471 3.537 20 0 EHADRM CCC(CC)(CC(=O)N[C@@H]1CCCc2c(F)cc(F)cc21)C(=O)[O-] ZINC000414093932 1035479248 /nfs/dbraw/zinc/47/92/48/1035479248.db2.gz OJGTVTLXNNTTSE-OAHLLOKOSA-N -1 0 339.382 3.740 20 0 EHADRM CC1=C[C@@H](C)CN(C(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)C1 ZINC000571477870 1035503982 /nfs/dbraw/zinc/50/39/82/1035503982.db2.gz LPFRVQKZEDQQSX-SNVBAGLBSA-N -1 0 348.859 3.710 20 0 EHADRM O=C([O-])CC1(CC(=O)NCC[C@H]2CCc3ccccc32)CCCC1 ZINC000414099630 1035504735 /nfs/dbraw/zinc/50/47/35/1035504735.db2.gz USHCPJPXEZPTIY-MRXNPFEDSA-N -1 0 329.440 3.648 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCc1ccc2[nH]ccc2c1)C1CCCCC1 ZINC000431793460 1035516892 /nfs/dbraw/zinc/51/68/92/1035516892.db2.gz ZCENQZXGXYWYKD-SFHVURJKSA-N -1 0 342.439 3.640 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1nc(CC(C)(C)C)cs1 ZINC000540652528 1035540951 /nfs/dbraw/zinc/54/09/51/1035540951.db2.gz WKKJNZXIPZLDBD-UHFFFAOYSA-N -1 0 346.499 3.603 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000463479923 1035547537 /nfs/dbraw/zinc/54/75/37/1035547537.db2.gz DBUJIUFOTGCIHF-LLVKDONJSA-N -1 0 335.448 3.604 20 0 EHADRM C[C@@H](CNC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1)CC(F)(F)F ZINC000414113485 1035575490 /nfs/dbraw/zinc/57/54/90/1035575490.db2.gz YUBDUBKYWKWTBR-IAQYHMDHSA-N -1 0 337.382 3.752 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(C)c(Br)c1 ZINC000540675238 1035578269 /nfs/dbraw/zinc/57/82/69/1035578269.db2.gz MWHMZDJRXADIMK-UHFFFAOYSA-N -1 0 342.233 3.521 20 0 EHADRM CCCOc1ccc(-c2csc([N-]S(=O)(=O)CCC)n2)cc1 ZINC000540698417 1035598333 /nfs/dbraw/zinc/59/83/33/1035598333.db2.gz RSPBYDHUBOVESO-UHFFFAOYSA-N -1 0 340.470 3.751 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)CCc1cc2ccccc2o1 ZINC000540714420 1035619221 /nfs/dbraw/zinc/61/92/21/1035619221.db2.gz LYGVOWVQIGIZCP-SJORKVTESA-N -1 0 343.423 3.905 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)/C=C\c2ccc(C)o2)cc1 ZINC000492331004 1035632203 /nfs/dbraw/zinc/63/22/03/1035632203.db2.gz OIBBYUZEZIWJSZ-BJIFSAINSA-N -1 0 345.420 3.655 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)Nc1cccc(-c2nc(C)c(C)o2)c1)C(=O)[O-] ZINC000571742049 1035637403 /nfs/dbraw/zinc/63/74/03/1035637403.db2.gz AKNSLGJYXNPACL-ZUZCIYMTSA-N -1 0 345.399 3.579 20 0 EHADRM CC(C)(C)C[C@@H]1CCN(C(=O)c2nn(-c3ccccc3F)cc2[O-])C1 ZINC000457039586 1035649037 /nfs/dbraw/zinc/64/90/37/1035649037.db2.gz YYJHPIUUHBQLAZ-ZDUSSCGKSA-N -1 0 345.418 3.615 20 0 EHADRM C[C@H](Oc1n[n-]c(=O)cc1Cl)c1ccccc1Br ZINC001233587726 1035656272 /nfs/dbraw/zinc/65/62/72/1035656272.db2.gz YGXSLMCZXLCZDH-ZETCQYMHSA-N -1 0 329.581 3.738 20 0 EHADRM C[C@H](NC(=O)Cc1cccc(C(=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC000540774393 1035668071 /nfs/dbraw/zinc/66/80/71/1035668071.db2.gz MNZBTFZVNLRDIR-NSHDSACASA-N -1 0 346.452 3.559 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1occc1-c1ccccc1)CC2 ZINC000540777260 1035671068 /nfs/dbraw/zinc/67/10/68/1035671068.db2.gz NEHVIXUFUJDPNT-UHFFFAOYSA-N -1 0 347.370 3.843 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)CC1(CCc2ccccc2)CCCC1 ZINC000540783897 1035680976 /nfs/dbraw/zinc/68/09/76/1035680976.db2.gz LAEPRUXRVBYZDM-MRXNPFEDSA-N -1 0 331.456 3.939 20 0 EHADRM O=C(N[C@H](c1ccccc1)c1cccnc1)c1cc(F)c([O-])c(F)c1 ZINC000186779600 1035700569 /nfs/dbraw/zinc/70/05/69/1035700569.db2.gz LDDLFCGGYGVNGK-QGZVFWFLSA-N -1 0 340.329 3.585 20 0 EHADRM CCN(CC(C)(C)C)C(=O)N=c1[n-]nc(/C=C/c2ccco2)s1 ZINC000463635370 1035703138 /nfs/dbraw/zinc/70/31/38/1035703138.db2.gz HWTGNQVIEBRPPO-CMDGGOBGSA-N -1 0 334.445 3.623 20 0 EHADRM CCN(CC(C)(C)C)C(=O)N=c1nc(-c2cccc(OC)c2)[n-]s1 ZINC000463666611 1035724607 /nfs/dbraw/zinc/72/46/07/1035724607.db2.gz DPFJUEQGJRAZBB-UHFFFAOYSA-N -1 0 348.472 3.536 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)/C=C\c1ccc(-n2ccnc2)cc1 ZINC000492386784 1035731245 /nfs/dbraw/zinc/73/12/45/1035731245.db2.gz NVCOGOFAACAHPC-UITAMQMPSA-N -1 0 347.374 3.531 20 0 EHADRM Cc1cc(=NC(=O)Cc2csc3ccc(Cl)cc23)[n-]nc1C ZINC000507715323 1035850132 /nfs/dbraw/zinc/85/01/32/1035850132.db2.gz RRIYIDZOLZYHLG-UHFFFAOYSA-N -1 0 331.828 3.565 20 0 EHADRM COc1cc(F)c(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)c(F)c1 ZINC000588623484 1035918501 /nfs/dbraw/zinc/91/85/01/1035918501.db2.gz GNRSGMGZPZCCCH-UHFFFAOYSA-N -1 0 341.379 3.898 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(F)c(F)c2[O-])c(OCC2CC2)c1 ZINC000457301220 1035958928 /nfs/dbraw/zinc/95/89/28/1035958928.db2.gz VZPGTPYATJSTNM-UHFFFAOYSA-N -1 0 349.333 3.720 20 0 EHADRM O=C([O-])C1CCC(CC(=O)Nc2cccc(OC(F)(F)F)c2)CC1 ZINC000572123647 1036003742 /nfs/dbraw/zinc/00/37/42/1036003742.db2.gz TXGDBIWDIQSWAU-UHFFFAOYSA-N -1 0 345.317 3.805 20 0 EHADRM CC[C@H](CNC(=O)CC1(CC(=O)[O-])CCCCC1)CC(F)(F)F ZINC000402504347 1036030854 /nfs/dbraw/zinc/03/08/54/1036030854.db2.gz AGTSAWMJPXDFSM-LBPRGKRZSA-N -1 0 337.382 3.897 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)cc(F)c2)cc1Cl ZINC000541166111 1036052395 /nfs/dbraw/zinc/05/23/95/1036052395.db2.gz TUJNMARHWNROKB-UHFFFAOYSA-N -1 0 341.791 3.791 20 0 EHADRM CSc1c(F)cc([N-]S(=O)(=O)c2ccc(C)cc2F)cc1F ZINC000541305772 1036174656 /nfs/dbraw/zinc/17/46/56/1036174656.db2.gz BLNXTVOWJNYQMV-UHFFFAOYSA-N -1 0 347.383 3.935 20 0 EHADRM Cc1nc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2C)cn1C ZINC000589150134 1036280549 /nfs/dbraw/zinc/28/05/49/1036280549.db2.gz YEQUNWGDSYVECJ-UHFFFAOYSA-N -1 0 341.436 3.505 20 0 EHADRM O=S(=O)([N-]c1cc2c(cn1)CCCC2)c1cccc2ccccc21 ZINC000461208368 1036298673 /nfs/dbraw/zinc/29/86/73/1036298673.db2.gz IWUPHADOADSYNY-UHFFFAOYSA-N -1 0 338.432 3.914 20 0 EHADRM Cc1ccc(NC(=O)CSc2n[n-]c(=S)s2)cc1Cl ZINC000080464666 1036356531 /nfs/dbraw/zinc/35/65/31/1036356531.db2.gz LHPFUMIACKUZJT-UHFFFAOYSA-N -1 0 331.875 3.519 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(Cl)cc2Cl)C1 ZINC000232728606 1036369788 /nfs/dbraw/zinc/36/97/88/1036369788.db2.gz CQRVNQQXMXOWRY-HNNXBMFYSA-N -1 0 330.211 3.566 20 0 EHADRM COc1cccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000589426462 1036385573 /nfs/dbraw/zinc/38/55/73/1036385573.db2.gz AUWXOIKBFQVEHO-UHFFFAOYSA-N -1 0 332.208 3.803 20 0 EHADRM O=C(c1ccc2ccccc2c1O)N1CCC(c2ccncc2)CC1 ZINC000192273259 1036490478 /nfs/dbraw/zinc/49/04/78/1036490478.db2.gz QBZRDKRUSYZPMA-UHFFFAOYSA-N -1 0 332.403 3.960 20 0 EHADRM CCc1onc(C)c1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000192537757 1036526097 /nfs/dbraw/zinc/52/60/97/1036526097.db2.gz KLXXUIYTGJCOJQ-UHFFFAOYSA-N -1 0 330.365 3.711 20 0 EHADRM O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1cc(F)c(F)c([O-])c1F ZINC000541640065 1036532387 /nfs/dbraw/zinc/53/23/87/1036532387.db2.gz ZWHKABGPHAUIKV-OUAUKWLOSA-N -1 0 327.346 3.898 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)N2Cc3ccccc3C(C)(C)C2)s[n-]1 ZINC000535485433 1036559195 /nfs/dbraw/zinc/55/91/95/1036559195.db2.gz RZZBXCDNVPECMD-UHFFFAOYSA-N -1 0 344.484 3.583 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263169531 1036603322 /nfs/dbraw/zinc/60/33/22/1036603322.db2.gz RVOKGNGXDIQAJR-VHSXEESVSA-N -1 0 342.848 3.636 20 0 EHADRM CCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000263201990 1036627718 /nfs/dbraw/zinc/62/77/18/1036627718.db2.gz KBGHWBNKGKITNJ-ZJUUUORDSA-N -1 0 345.317 3.544 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])o1)Cc1cccc(Br)c1F ZINC000724871126 1036640741 /nfs/dbraw/zinc/64/07/41/1036640741.db2.gz DIFUVBZAOURJTD-UHFFFAOYSA-N -1 0 342.164 3.511 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(c2nccc3cc(C(F)(F)F)ccc32)C1 ZINC000263218997 1036643034 /nfs/dbraw/zinc/64/30/34/1036643034.db2.gz ORFXYAXMXWBLIC-JQWIXIFHSA-N -1 0 338.329 3.801 20 0 EHADRM O=C(Nc1nc(-c2ccco2)cs1)c1cc(F)c(F)c([O-])c1F ZINC000186227727 1036656268 /nfs/dbraw/zinc/65/62/68/1036656268.db2.gz ZXXHIYMDZOMSSP-UHFFFAOYSA-N -1 0 340.282 3.778 20 0 EHADRM CCC[C@H](C)N(C)C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000541798111 1036656544 /nfs/dbraw/zinc/65/65/44/1036656544.db2.gz AQDZEQLHTGNBPE-JTQLQIEISA-N -1 0 338.864 3.933 20 0 EHADRM O=C(N=c1nc(-c2cccc(Cl)c2)[n-]s1)N1CC[C@@H](C2CC2)C1 ZINC000541798972 1036656676 /nfs/dbraw/zinc/65/66/76/1036656676.db2.gz QIEUMRYJMYMWQS-GFCCVEGCSA-N -1 0 348.859 3.544 20 0 EHADRM CC(C)c1ccc(OCCC(=O)N=c2nc(C(C)(C)C)[n-]s2)cc1 ZINC000589937908 1036672395 /nfs/dbraw/zinc/67/23/95/1036672395.db2.gz ZBSHPHFCXUGRAR-UHFFFAOYSA-N -1 0 347.484 3.789 20 0 EHADRM CO[C@@H](C)c1nsc([N-]c2ccn([C@H](C)c3ccccc3)n2)n1 ZINC000669823864 1036767857 /nfs/dbraw/zinc/76/78/57/1036767857.db2.gz ZJRZPDYQPJLFGU-NEPJUHHUSA-N -1 0 329.429 3.795 20 0 EHADRM Cc1ccccc1C1(CNC(=O)CCCCC(=O)[O-])CCCCC1 ZINC000263341453 1036790243 /nfs/dbraw/zinc/79/02/43/1036790243.db2.gz XRZSXGXRTFBLDC-UHFFFAOYSA-N -1 0 331.456 3.958 20 0 EHADRM Cc1cnc(C(=O)Nc2cccc(Cl)c2OCC(F)F)c([O-])c1 ZINC000493162627 1036815517 /nfs/dbraw/zinc/81/55/17/1036815517.db2.gz WQQJEUWAIMLAMF-UHFFFAOYSA-N -1 0 342.729 3.645 20 0 EHADRM Cc1nc(C)c(C(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)s1 ZINC000263381254 1036838775 /nfs/dbraw/zinc/83/87/75/1036838775.db2.gz CPXVBOFGWCYSDQ-AWEZNQCLSA-N -1 0 338.473 3.694 20 0 EHADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000237722133 1036892457 /nfs/dbraw/zinc/89/24/57/1036892457.db2.gz VXIHOBPFZHCMKO-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N[C@@H](C)[C@H](C)C(=O)[O-])c(F)c2)cc1 ZINC000263457913 1036947436 /nfs/dbraw/zinc/94/74/36/1036947436.db2.gz PLXOXXWYAZKACZ-STQMWFEESA-N -1 0 329.371 3.640 20 0 EHADRM CC(C)OCCOCc1cccc(NCc2cccc(C(=O)[O-])c2)c1 ZINC000263469760 1036949015 /nfs/dbraw/zinc/94/90/15/1036949015.db2.gz LAHHNJZBDVAFML-UHFFFAOYSA-N -1 0 343.423 3.939 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCc1cccc(Cl)c1)C1CCCCC1 ZINC000539605023 1036969001 /nfs/dbraw/zinc/96/90/01/1036969001.db2.gz KIUDNQSGCJVPCK-INIZCTEOSA-N -1 0 337.847 3.812 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN1C(=O)CC(c1ccccc1)c1ccccc1 ZINC000263485844 1036979925 /nfs/dbraw/zinc/97/99/25/1036979925.db2.gz VOJDHIZAGSLYEF-OAQYLSRUSA-N -1 0 337.419 3.674 20 0 EHADRM CCCC[C@H](C)N(C)C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263495737 1036981612 /nfs/dbraw/zinc/98/16/12/1036981612.db2.gz SSPZCALAFMFXNL-RDJZCZTQSA-N -1 0 334.460 3.683 20 0 EHADRM CCC(CC)N(CC(C)C)C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000178021253 1036984544 /nfs/dbraw/zinc/98/45/44/1036984544.db2.gz OICJRIMBATXBCJ-UHFFFAOYSA-N -1 0 343.471 3.761 20 0 EHADRM CN(C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1)[C@H]1CCC(C)(C)C1 ZINC000263490497 1036988931 /nfs/dbraw/zinc/98/89/31/1036988931.db2.gz QZUOYOHBRIQALN-SJORKVTESA-N -1 0 346.471 3.683 20 0 EHADRM Cc1cc(C)c2nc(C3CC3)cc(C(=O)N[C@H](C)[C@H](C)C(=O)[O-])c2c1 ZINC000263501640 1037014555 /nfs/dbraw/zinc/01/45/55/1037014555.db2.gz ZDJPMYCBKDLJRS-QWHCGFSZSA-N -1 0 340.423 3.568 20 0 EHADRM Cc1cc(C)c2nc(C3CC3)cc(C(=O)N[C@H](C)[C@@H](C)C(=O)[O-])c2c1 ZINC000263501637 1037016128 /nfs/dbraw/zinc/01/61/28/1037016128.db2.gz ZDJPMYCBKDLJRS-CHWSQXEVSA-N -1 0 340.423 3.568 20 0 EHADRM CCSc1n[n-]c(=NC(=O)Nc2csc3ccccc23)s1 ZINC000491271880 1037022172 /nfs/dbraw/zinc/02/21/72/1037022172.db2.gz RAFSNDKMIPLTIN-UHFFFAOYSA-N -1 0 336.467 3.931 20 0 EHADRM O=C([O-])C1(CNC(=O)Cc2c[nH]c3ccc(Cl)cc23)CCCCC1 ZINC000263527625 1037041711 /nfs/dbraw/zinc/04/17/11/1037041711.db2.gz KUGRLPKOGOARLF-UHFFFAOYSA-N -1 0 348.830 3.515 20 0 EHADRM Cc1cc(C)cc(C2(C(=O)NCC3(CC(=O)[O-])CCCCC3)CC2)c1 ZINC000539677477 1037055187 /nfs/dbraw/zinc/05/51/87/1037055187.db2.gz AYIGENFYDGNEAL-UHFFFAOYSA-N -1 0 343.467 3.876 20 0 EHADRM C[C@@H](CNC(=O)c1cc(-c2ccccc2)ccc1Cl)CC(=O)[O-] ZINC000539688852 1037077214 /nfs/dbraw/zinc/07/72/14/1037077214.db2.gz SACCHLWKODVFBE-GFCCVEGCSA-N -1 0 331.799 3.848 20 0 EHADRM Cc1ccc(CN=c2[n-]nc(CC(C)(C)C)o2)c(Br)c1 ZINC000539694505 1037085230 /nfs/dbraw/zinc/08/52/30/1037085230.db2.gz MAPMWDYMHAWJGD-UHFFFAOYSA-N -1 0 338.249 3.763 20 0 EHADRM COCc1n[n-]c(=N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)s1 ZINC000542138095 1037098725 /nfs/dbraw/zinc/09/87/25/1037098725.db2.gz SVRDMNIXWBMOFS-MGCOHNPYSA-N -1 0 344.267 3.771 20 0 EHADRM Cc1nn(C)c(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)c1C(F)F ZINC000414373794 1037099124 /nfs/dbraw/zinc/09/91/24/1037099124.db2.gz SSNZGVWGWXCZPJ-UHFFFAOYSA-N -1 0 343.399 3.590 20 0 EHADRM O=C([O-])C1CCC(CC(=O)Nc2ccc(F)cc2OCC2CC2)CC1 ZINC000573003220 1037153840 /nfs/dbraw/zinc/15/38/40/1037153840.db2.gz HLFBVHUUZKJFTC-UHFFFAOYSA-N -1 0 349.402 3.834 20 0 EHADRM C/C(=C\c1cccc(Cl)c1)C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000761573880 1037167441 /nfs/dbraw/zinc/16/74/41/1037167441.db2.gz HCNASRRMCPBYDV-GXDHUFHOSA-N -1 0 343.810 3.857 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)NCCC2CCCC2)CC1 ZINC000666517612 1037175944 /nfs/dbraw/zinc/17/59/44/1037175944.db2.gz WCBFPTRYNDEPKQ-UHFFFAOYSA-N -1 0 344.455 3.854 20 0 EHADRM Cc1cccc(NC(=O)C2=C(C(=O)[O-])CCCC2)c1Br ZINC000312521529 1037186770 /nfs/dbraw/zinc/18/67/70/1037186770.db2.gz ONROUWDBRHVHLF-UHFFFAOYSA-N -1 0 338.201 3.651 20 0 EHADRM CC(C)C[C@@H](C)NC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666538793 1037195731 /nfs/dbraw/zinc/19/57/31/1037195731.db2.gz PWOJOSWBABELGX-CQSZACIVSA-N -1 0 332.444 3.708 20 0 EHADRM Cc1nc(S(=O)(=O)[N-]c2cc(Cl)ccc2SC(C)C)c[nH]1 ZINC000105390174 1037198027 /nfs/dbraw/zinc/19/80/27/1037198027.db2.gz TZYIVVYQZQWLGP-UHFFFAOYSA-N -1 0 345.877 3.673 20 0 EHADRM CC(C)[C@@H](c1ccccc1)N(C)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000666562341 1037211660 /nfs/dbraw/zinc/21/16/60/1037211660.db2.gz KOMZNEFCVXOSPZ-SFHVURJKSA-N -1 0 340.423 3.924 20 0 EHADRM CC(C)c1ccc(C[C@H]2CCN(C(=O)NCCCCC(=O)[O-])C2)cc1 ZINC000666562597 1037211671 /nfs/dbraw/zinc/21/16/71/1037211671.db2.gz SBERDXXTYQEYDA-QGZVFWFLSA-N -1 0 346.471 3.639 20 0 EHADRM CCc1ccc(NC(=O)c2nn(-c3ccccc3F)cc2[O-])cc1 ZINC000591093592 1037217575 /nfs/dbraw/zinc/21/75/75/1037217575.db2.gz DRUMBEKPHZQZTQ-UHFFFAOYSA-N -1 0 325.343 3.532 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)c1cc(SC)c(Cl)cc1Cl ZINC000089288440 1037235924 /nfs/dbraw/zinc/23/59/24/1037235924.db2.gz CTOGVGOTEKESSC-UHFFFAOYSA-N -1 0 340.253 3.536 20 0 EHADRM CCOC(=O)c1cccc(N(CC)C(=O)c2cc(CC)ccc2O)c1 ZINC000539841761 1037268963 /nfs/dbraw/zinc/26/89/63/1037268963.db2.gz IGPNUXSWNIALLX-UHFFFAOYSA-N -1 0 341.407 3.798 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)/C=C/SCc2ccco2)c1 ZINC000493356111 1037269333 /nfs/dbraw/zinc/26/93/33/1037269333.db2.gz SHRJYNUUVKARJV-VQHVLOKHSA-N -1 0 331.393 3.964 20 0 EHADRM CCN(C(=O)c1cccc(Br)c1[O-])c1ccc(F)cc1 ZINC000539846447 1037278078 /nfs/dbraw/zinc/27/80/78/1037278078.db2.gz BVCCPEITVCAYNQ-UHFFFAOYSA-N -1 0 338.176 3.961 20 0 EHADRM O=C([O-])[C@H]1CC12CCN(C(=O)c1cccc(C3CCCC3)c1)CC2 ZINC000659119971 1037285092 /nfs/dbraw/zinc/28/50/92/1037285092.db2.gz KEFXHBXYHFHWGD-QGZVFWFLSA-N -1 0 327.424 3.671 20 0 EHADRM O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cc(F)c([O-])c(F)c1 ZINC000176978775 1037297916 /nfs/dbraw/zinc/29/79/16/1037297916.db2.gz MJMRKYLLXXLFLP-CYBMUJFWSA-N -1 0 339.338 3.776 20 0 EHADRM Cc1cnn(-c2ccccc2)c1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000176970580 1037307593 /nfs/dbraw/zinc/30/75/93/1037307593.db2.gz UVIILUOROZQWIM-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM COc1ccc(CN(C(=O)c2cc(F)cc(Cl)c2[O-])C2CC2)cc1 ZINC000176972543 1037308822 /nfs/dbraw/zinc/30/88/22/1037308822.db2.gz ZAZMEAUBPVMCRS-UHFFFAOYSA-N -1 0 349.789 3.998 20 0 EHADRM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000177008061 1037319041 /nfs/dbraw/zinc/31/90/41/1037319041.db2.gz IJCDTWQYTHOOAY-QMMMGPOBSA-N -1 0 327.277 3.782 20 0 EHADRM CCC[C@@H](C(=O)NCCCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000659129458 1037332737 /nfs/dbraw/zinc/33/27/37/1037332737.db2.gz QXCDUHXBBMEDPF-OAHLLOKOSA-N -1 0 325.836 3.985 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000659133757 1037340714 /nfs/dbraw/zinc/34/07/14/1037340714.db2.gz ARRBVFQDGRPGCE-KSSFIOAISA-N -1 0 339.391 3.834 20 0 EHADRM CC(=O)Nc1ccc(C)c(NC(=O)c2cc(F)cc(Cl)c2[O-])c1 ZINC000177060325 1037345887 /nfs/dbraw/zinc/34/58/87/1037345887.db2.gz GLFBLODLKFQSGV-UHFFFAOYSA-N -1 0 336.750 3.704 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)[C@H]1CC[C@H](C2CCC2)CC1)c1ccccc1 ZINC000659136549 1037346438 /nfs/dbraw/zinc/34/64/38/1037346438.db2.gz LVYAMIZAPKKUCD-SZMVWBNQSA-N -1 0 329.440 3.578 20 0 EHADRM CCC[C@H](NC(=O)c1cc(C(=O)[O-])oc1C)c1ccc(F)cc1F ZINC000659139365 1037356504 /nfs/dbraw/zinc/35/65/04/1037356504.db2.gz BUXKZKWANGGHEE-AWEZNQCLSA-N -1 0 337.322 3.836 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1 ZINC000659144527 1037370267 /nfs/dbraw/zinc/37/02/67/1037370267.db2.gz IUPWRSQSYUHQCX-ULQDDVLXSA-N -1 0 335.488 3.942 20 0 EHADRM COc1ncccc1[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000614825313 1037373392 /nfs/dbraw/zinc/37/33/92/1037373392.db2.gz XRXLTWKZNXFENW-UHFFFAOYSA-N -1 0 340.404 3.558 20 0 EHADRM O=C(Nc1nc(-c2ccccn2)cs1)c1ccc([O-])c(Cl)c1 ZINC000006969842 1037375977 /nfs/dbraw/zinc/37/59/77/1037375977.db2.gz ZRMTWMATKVGWLX-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM CC1(C)CC(C(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)CC(C)(C)C1 ZINC000659157409 1037390947 /nfs/dbraw/zinc/39/09/47/1037390947.db2.gz VADHAJDDPPODMK-MRXNPFEDSA-N -1 0 349.393 3.705 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N(C)C[C@H]2CC=CCC2)n1 ZINC000542460366 1037403256 /nfs/dbraw/zinc/40/32/56/1037403256.db2.gz VTCDKEQLQSZCEX-HNNXBMFYSA-N -1 0 339.439 3.569 20 0 EHADRM CC(C)(CC(=O)N1CCC[C@]1(C)Cc1ccccc1Cl)C(=O)[O-] ZINC000659174285 1037407573 /nfs/dbraw/zinc/40/75/73/1037407573.db2.gz SNOHDPUXGBLJCD-GOSISDBHSA-N -1 0 337.847 3.765 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2cc(Cl)ccc2C)n1 ZINC000659182682 1037433327 /nfs/dbraw/zinc/43/33/27/1037433327.db2.gz LNZIYVZSQXRSAK-CYBMUJFWSA-N -1 0 335.791 3.523 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)[C@H](c2ccccc2)C(C)C)n1 ZINC000659189376 1037443193 /nfs/dbraw/zinc/44/31/93/1037443193.db2.gz YWAIDBONCYYYGP-WBVHZDCISA-N -1 0 343.427 3.687 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)cc1 ZINC000659189143 1037444439 /nfs/dbraw/zinc/44/44/39/1037444439.db2.gz FPHSDGPJMWWLPF-WNHJNPCNSA-N -1 0 343.467 3.666 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)CC/C=C\c2ccccc2)n1 ZINC000659186325 1037451694 /nfs/dbraw/zinc/45/16/94/1037451694.db2.gz HQPIGTZMUSZMNL-BCTQVIJGSA-N -1 0 341.411 3.741 20 0 EHADRM Cc1cc(C(=O)NCc2ccoc2C(=O)[O-])c(C)n1C1CCCCC1 ZINC000659197498 1037456424 /nfs/dbraw/zinc/45/64/24/1037456424.db2.gz FCFFLAOOKMRENY-UHFFFAOYSA-N -1 0 344.411 3.831 20 0 EHADRM O=S(=O)([N-]c1nc(C2CCC2)cs1)c1sccc1Cl ZINC000573318424 1037460683 /nfs/dbraw/zinc/46/06/83/1037460683.db2.gz CQUWGIPTXZJTHV-UHFFFAOYSA-N -1 0 334.875 3.926 20 0 EHADRM CC(C)c1cccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)c1 ZINC000659193326 1037461500 /nfs/dbraw/zinc/46/15/00/1037461500.db2.gz PQPKOFMLXUWJML-BZSNNMDCSA-N -1 0 329.440 3.916 20 0 EHADRM CC(C)Oc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)cc1 ZINC000659195219 1037465143 /nfs/dbraw/zinc/46/51/43/1037465143.db2.gz OJEXGOZQKYXFTE-SQNIBIBYSA-N -1 0 345.439 3.579 20 0 EHADRM Cc1nccc(Sc2n[n-]c(=Nc3cccc(Cl)c3C)s2)n1 ZINC000462927247 1037553912 /nfs/dbraw/zinc/55/39/12/1037553912.db2.gz TYYKNRWAYPNHFU-UHFFFAOYSA-N -1 0 349.872 3.915 20 0 EHADRM CC[C@H]1CCCCN1C(=O)[C@@H](C)OC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000928966177 1037554643 /nfs/dbraw/zinc/55/46/43/1037554643.db2.gz HNKGLORLMDMSDD-ZJUUUORDSA-N -1 0 347.242 3.658 20 0 EHADRM O=C([O-])CC1(CC(=O)NCc2ccc(C3CCC3)cc2)CCCC1 ZINC000491766061 1037658123 /nfs/dbraw/zinc/65/81/23/1037658123.db2.gz VWNZFPPWEQGLFT-UHFFFAOYSA-N -1 0 329.440 3.996 20 0 EHADRM CCCn1ccc2ccc([N-]S(=O)(=O)c3ccccc3OC)cc21 ZINC000172896224 1037730100 /nfs/dbraw/zinc/73/01/00/1037730100.db2.gz SRXPVVSJSUAKPX-UHFFFAOYSA-N -1 0 344.436 3.861 20 0 EHADRM Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(-c2ccccc2)cc1C ZINC000573877164 1037793867 /nfs/dbraw/zinc/79/38/67/1037793867.db2.gz OKWUYVSTCCGAST-UHFFFAOYSA-N -1 0 341.436 3.505 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)/C=C/c2ccc3ccccc3n2)c1 ZINC000491982497 1037817378 /nfs/dbraw/zinc/81/73/78/1037817378.db2.gz JKKSSRPTFJETBP-VAWYXSNFSA-N -1 0 346.386 3.904 20 0 EHADRM C[C@@H]1CN(C(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)CC[C@@H]1C(=O)[O-] ZINC000261751403 1037861706 /nfs/dbraw/zinc/86/17/06/1037861706.db2.gz UTRDMFJPVWWWFU-NVYCXNAJSA-N -1 0 333.472 3.552 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)c2cc(C)nn2C(CC)CC)s1 ZINC000540462807 1037961283 /nfs/dbraw/zinc/96/12/83/1037961283.db2.gz FHXBKLXVOWVMKR-UHFFFAOYSA-N -1 0 349.504 3.811 20 0 EHADRM Cc1cc(F)ccc1-c1noc(C(=O)[N-]c2c(F)cccc2F)n1 ZINC001212171569 1038009718 /nfs/dbraw/zinc/00/97/18/1038009718.db2.gz WNAQJNRNPQZBGL-UHFFFAOYSA-N -1 0 333.269 3.715 20 0 EHADRM COc1ccc([C@H](C)N(C)C(=O)/C=C\c2ccc(C(=O)[O-])cc2)cc1 ZINC000492156766 1038058775 /nfs/dbraw/zinc/05/87/75/1038058775.db2.gz QSYCQRREJOCZIZ-XMRSSTEGSA-N -1 0 339.391 3.626 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N2CCC[C@@]2(C)CC(C)C)s1 ZINC000454205116 1038100332 /nfs/dbraw/zinc/10/03/32/1038100332.db2.gz NNYNVKJZORVBKK-AWEZNQCLSA-N -1 0 328.507 3.505 20 0 EHADRM c1ccc(-c2nc(=N[C@H](c3ccccc3)[C@@H]3CCOC3)s[n-]2)cc1 ZINC000540596498 1038128150 /nfs/dbraw/zinc/12/81/50/1038128150.db2.gz BHXQHRSYESHAIV-IAGOWNOFSA-N -1 0 337.448 3.817 20 0 EHADRM CC(C)[C@@H]1CCCN1C(=O)c1cc(F)cc(Br)c1[O-] ZINC000416144432 1038233670 /nfs/dbraw/zinc/23/36/70/1038233670.db2.gz NCQAPJSKYGSCMN-LBPRGKRZSA-N -1 0 330.197 3.554 20 0 EHADRM c1cc(N=c2nc(C3CC3)[n-]s2)cc2nc3n(c12)CCCCC3 ZINC000536531008 1038246344 /nfs/dbraw/zinc/24/63/44/1038246344.db2.gz XNGPIDAIXYAFGA-UHFFFAOYSA-N -1 0 325.441 3.657 20 0 EHADRM Fc1ccccc1Cc1n[n-]c(=NCc2ccc3ccccc3c2)o1 ZINC000538592744 1038405840 /nfs/dbraw/zinc/40/58/40/1038405840.db2.gz CALJBZUNEVHRLN-UHFFFAOYSA-N -1 0 333.366 3.987 20 0 EHADRM CCCC[C@@H](C)N(C)C(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC000461430708 1038417303 /nfs/dbraw/zinc/41/73/03/1038417303.db2.gz YILHGTMAWBYQFT-CYBMUJFWSA-N -1 0 333.407 3.676 20 0 EHADRM CC(C)[C@H](C)N(C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C1CC1 ZINC000667135304 1038518140 /nfs/dbraw/zinc/51/81/40/1038518140.db2.gz WUWUAPSLUWFYBQ-LBPRGKRZSA-N -1 0 347.846 3.880 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1cccc(Cl)c1C ZINC000552029971 1038633084 /nfs/dbraw/zinc/63/30/84/1038633084.db2.gz VBGNZSCZAYXAOA-UHFFFAOYSA-N -1 0 342.786 3.700 20 0 EHADRM COCc1ccc(S(=O)(=O)[N-]c2nc3c(cccc3C)s2)cc1 ZINC000539231233 1038732708 /nfs/dbraw/zinc/73/27/08/1038732708.db2.gz RDNJRUVQEHAWOU-UHFFFAOYSA-N -1 0 348.449 3.552 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@H]3CCC[C@H](c4ccccc4)C3)(CC1)C2 ZINC000910240614 1038783243 /nfs/dbraw/zinc/78/32/43/1038783243.db2.gz BTKZBXHRXKSPRJ-AMZMEHNNSA-N -1 0 341.451 3.864 20 0 EHADRM COc1ccccc1-n1nc(C)cc1Nc1ccc(C(=O)[O-])c(C)c1 ZINC001211652501 1038798704 /nfs/dbraw/zinc/79/87/04/1038798704.db2.gz BBZJIBDCWSUFTK-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000554011498 1038800018 /nfs/dbraw/zinc/80/00/18/1038800018.db2.gz DXXRDWGJJLOPOR-UHFFFAOYSA-N -1 0 349.724 3.966 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1O ZINC000086170832 1038808680 /nfs/dbraw/zinc/80/86/80/1038808680.db2.gz LXDZQAJFYDAHBG-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(c2ncnc3scc(-c4cccs4)c32)C1 ZINC000910312197 1038822014 /nfs/dbraw/zinc/82/20/14/1038822014.db2.gz HAJIHUQHZAKGAX-MRXNPFEDSA-N -1 0 345.449 3.721 20 0 EHADRM CC1(C)c2ccccc2CCN1C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000910400883 1038883401 /nfs/dbraw/zinc/88/34/01/1038883401.db2.gz RGTUTNSDCOGECD-UHFFFAOYSA-N -1 0 329.440 3.588 20 0 EHADRM Cc1coc(-c2ccc(C(=O)N3CCC[C@H](C(=O)[O-])C3)c(C)c2)c1 ZINC000569989358 1038885388 /nfs/dbraw/zinc/88/53/88/1038885388.db2.gz XCYPJOMVRUGYCH-HNNXBMFYSA-N -1 0 327.380 3.500 20 0 EHADRM C[C@@H](CC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccccc1F ZINC000910476071 1038933518 /nfs/dbraw/zinc/93/35/18/1038933518.db2.gz OIJNKMIUHUEOQO-ULFGMLNVSA-N -1 0 341.382 3.749 20 0 EHADRM FC(F)c1n[n-]c(=NCc2cc(Cl)ccc2OCC2CC2)s1 ZINC000485365427 1038959884 /nfs/dbraw/zinc/95/98/84/1038959884.db2.gz CDJICGAWBVYBPI-UHFFFAOYSA-N -1 0 345.802 3.952 20 0 EHADRM COc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c1O ZINC000485387855 1038990302 /nfs/dbraw/zinc/99/03/02/1038990302.db2.gz HXSFTTLLBWWJNA-UHFFFAOYSA-N -1 0 348.207 3.508 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1cnc(C(C)(C)C)s1 ZINC000910622251 1038991481 /nfs/dbraw/zinc/99/14/81/1038991481.db2.gz OISMMGCDPAQCSK-UHFFFAOYSA-N -1 0 348.424 3.790 20 0 EHADRM CCCCS[C@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC ZINC000910621894 1038991927 /nfs/dbraw/zinc/99/19/27/1038991927.db2.gz NXWGTVYMQSLKIG-LLVKDONJSA-N -1 0 325.430 3.644 20 0 EHADRM CC(C)(C)c1ccc(C(=O)Nc2nc(CCC(=O)[O-])cs2)cc1 ZINC000910641897 1039000618 /nfs/dbraw/zinc/00/06/18/1039000618.db2.gz UNOYQKOBJCRCGC-UHFFFAOYSA-N -1 0 332.425 3.710 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)c2cc(C)c(C(=O)[O-])o2)c1C1CC1 ZINC000910648671 1039001788 /nfs/dbraw/zinc/00/17/88/1039001788.db2.gz MRKKPWQFDNXNCW-JTQLQIEISA-N -1 0 331.372 3.583 20 0 EHADRM CC[C@@H](C)n1ncc(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)c1C1CC1 ZINC000910647988 1039001983 /nfs/dbraw/zinc/00/19/83/1039001983.db2.gz BCOLXLRTGUZYKG-MXMFLMJRSA-N -1 0 343.383 3.675 20 0 EHADRM Cc1ccsc1C(=O)/C(C#N)=C/c1ccc(OCCC(=O)[O-])cc1 ZINC000044028466 1039007232 /nfs/dbraw/zinc/00/72/32/1039007232.db2.gz BSYUHTNWGIQILI-GXDHUFHOSA-N -1 0 341.388 3.700 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)Nc2ncc(CC(=O)[O-])s2)cc1 ZINC000910668491 1039010555 /nfs/dbraw/zinc/01/05/55/1039010555.db2.gz RBICIPGBOKBSHE-ARJAWSKDSA-N -1 0 344.436 3.936 20 0 EHADRM CC1(C)CC[C@H]1C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000910703794 1039028674 /nfs/dbraw/zinc/02/86/74/1039028674.db2.gz ZPGQBFQOQKYPBD-JTQLQIEISA-N -1 0 326.190 3.522 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)C2=CCCCCC2)nc1C(=O)[O-] ZINC000910724240 1039032831 /nfs/dbraw/zinc/03/28/31/1039032831.db2.gz QNXHRGDAYGSIIK-CYBMUJFWSA-N -1 0 334.441 3.704 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910734812 1039041677 /nfs/dbraw/zinc/04/16/77/1039041677.db2.gz XGPURNWYEUJCCN-VIFPVBQESA-N -1 0 348.399 3.675 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)[C@@H]2CCC=CCCC2)nc1C(=O)[O-] ZINC000910718824 1039055379 /nfs/dbraw/zinc/05/53/79/1039055379.db2.gz CAPMUXNAIPLEOU-ZIAGYGMSSA-N -1 0 348.468 3.950 20 0 EHADRM CCCCc1ccc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000325332105 1039062148 /nfs/dbraw/zinc/06/21/48/1039062148.db2.gz GRTHBTHLVLJGRM-KRWDZBQOSA-N -1 0 331.456 3.992 20 0 EHADRM CSc1ccc(O[C@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000500615730 1039071809 /nfs/dbraw/zinc/07/18/09/1039071809.db2.gz JCDLGBSANJSLPV-LLVKDONJSA-N -1 0 331.393 3.513 20 0 EHADRM CSC[C@H](C)N=c1[n-]c(C(F)(F)F)c(Br)s1 ZINC000418873348 1039076869 /nfs/dbraw/zinc/07/68/69/1039076869.db2.gz XOFBJDKPFPZIFO-BYPYZUCNSA-N -1 0 335.214 3.510 20 0 EHADRM CCCn1nc(C)c(CNc2cc(C(=O)[O-])cc3cccnc32)c1C ZINC000905763328 1039092745 /nfs/dbraw/zinc/09/27/45/1039092745.db2.gz YRJHOJSIJCUAHW-UHFFFAOYSA-N -1 0 338.411 3.768 20 0 EHADRM CC(C)(CNC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)CC(=O)[O-] ZINC000910823549 1039099074 /nfs/dbraw/zinc/09/90/74/1039099074.db2.gz UNBXYISJIALRAM-IAGOWNOFSA-N -1 0 325.408 3.560 20 0 EHADRM CCCS(=O)(=O)[N-][C@@H](c1cccc2ccccc21)C(F)(F)F ZINC000512431836 1039103536 /nfs/dbraw/zinc/10/35/36/1039103536.db2.gz KKKMMQLMDNVXKX-AWEZNQCLSA-N -1 0 331.359 3.773 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000910839819 1039111557 /nfs/dbraw/zinc/11/15/57/1039111557.db2.gz MSXDSTMAMGOZTN-LXZKKBNFSA-N -1 0 345.464 3.538 20 0 EHADRM COc1cc(C)cc(NC(=O)N=c2[n-]nc(C(C)(C)C)s2)c1C ZINC000488371203 1039127733 /nfs/dbraw/zinc/12/77/33/1039127733.db2.gz JCQKNRLKLGOBGD-UHFFFAOYSA-N -1 0 334.445 3.527 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[C@@H]1[C@H](C)c1ccccc1 ZINC000910935795 1039143105 /nfs/dbraw/zinc/14/31/05/1039143105.db2.gz NKPJASDEDZWCIL-MLGOLLRUSA-N -1 0 327.380 3.695 20 0 EHADRM CCCCS[C@H](C)C(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC000910949932 1039153463 /nfs/dbraw/zinc/15/34/63/1039153463.db2.gz QOEYZRDWKPNECF-SNVBAGLBSA-N -1 0 327.471 3.967 20 0 EHADRM CCCCn1ncc(C(=O)Nc2ccc(C(=O)[O-])cc2CC)c1C ZINC000910959361 1039160741 /nfs/dbraw/zinc/16/07/41/1039160741.db2.gz RAUBHEONKDXVPN-UHFFFAOYSA-N -1 0 329.400 3.505 20 0 EHADRM CC(C)(C)OCc1ccccc1NC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000910944100 1039167236 /nfs/dbraw/zinc/16/72/36/1039167236.db2.gz KTZJWUXWQBMCJA-CMDGGOBGSA-N -1 0 343.379 3.945 20 0 EHADRM CCN(C(=O)CCCc1csc(C)n1)c1cccc(C(=O)[O-])c1 ZINC000910968367 1039171386 /nfs/dbraw/zinc/17/13/86/1039171386.db2.gz VPSXXFKPCBRQEZ-UHFFFAOYSA-N -1 0 332.425 3.526 20 0 EHADRM Cc1ccc(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)CC2)c(Cl)c1 ZINC000911017606 1039186004 /nfs/dbraw/zinc/18/60/04/1039186004.db2.gz KUHWLKPPBJIOCH-UHFFFAOYSA-N -1 0 349.736 3.518 20 0 EHADRM O=C([O-])C1(C(F)(F)F)CCN(C(=O)C2CC3(C2)CCCCC3)CC1 ZINC000911021431 1039189942 /nfs/dbraw/zinc/18/99/42/1039189942.db2.gz PRSGMLKEEWIGMH-UHFFFAOYSA-N -1 0 347.377 3.603 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)CC1(C(=O)[O-])CCCCC1)CCC2 ZINC000554400698 1039309406 /nfs/dbraw/zinc/30/94/06/1039309406.db2.gz SJHSJHWRWAPKIR-KRWDZBQOSA-N -1 0 329.440 3.914 20 0 EHADRM CCc1c([N-]S(=O)(=O)c2ccc(F)cc2)cnn1C(CC)CC ZINC000480243972 1039331422 /nfs/dbraw/zinc/33/14/22/1039331422.db2.gz GFBQYUBSOHDPHO-UHFFFAOYSA-N -1 0 339.436 3.747 20 0 EHADRM CCCc1n[n-]c(=NC(=O)c2sc3cc(F)ccc3c2C)s1 ZINC000478272365 1039339455 /nfs/dbraw/zinc/33/94/55/1039339455.db2.gz KFXBWNJZLOXFCO-UHFFFAOYSA-N -1 0 335.429 3.827 20 0 EHADRM Cc1cc(N(C)C)cc(C)c1NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000911393745 1039351755 /nfs/dbraw/zinc/35/17/55/1039351755.db2.gz YACFSVDAABVNNB-UHFFFAOYSA-N -1 0 332.444 3.589 20 0 EHADRM CC(C)(C)[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000485655726 1039361003 /nfs/dbraw/zinc/36/10/03/1039361003.db2.gz XZDPDTPZVIFART-FRRDWIJNSA-N -1 0 343.345 3.630 20 0 EHADRM CC(C)(CC1CCCCCC1)NC(=O)CC1(C(=O)[O-])CCOCC1 ZINC000911477668 1039378057 /nfs/dbraw/zinc/37/80/57/1039378057.db2.gz FHFQCHMWRHHPNO-UHFFFAOYSA-N -1 0 339.476 3.513 20 0 EHADRM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C1(C(=O)[O-])CCCC1 ZINC000911494157 1039390286 /nfs/dbraw/zinc/39/02/86/1039390286.db2.gz QPLJYDIQNSXTOM-HNNXBMFYSA-N -1 0 344.455 3.957 20 0 EHADRM C[C@](CC(=O)N1CCC[C@H]1c1cccs1)(C(=O)[O-])c1ccccc1 ZINC000324365030 1039402590 /nfs/dbraw/zinc/40/25/90/1039402590.db2.gz JCXKMOAGPZJQGE-HNAYVOBHSA-N -1 0 343.448 3.844 20 0 EHADRM COc1nc(C(F)(F)F)ccc1-c1cc(C)sc1CC(=O)[O-] ZINC000906249093 1039410341 /nfs/dbraw/zinc/41/03/41/1039410341.db2.gz HYAIRTSJEOIFCM-UHFFFAOYSA-N -1 0 331.315 3.773 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)N1CCC(CC(F)(F)F)CC1 ZINC000911583419 1039422239 /nfs/dbraw/zinc/42/22/39/1039422239.db2.gz ILHPIHGSNAVLBF-UHFFFAOYSA-N -1 0 343.345 3.508 20 0 EHADRM CC(C)Oc1ccc([C@@H](C)NC(=O)CC2(C(=O)[O-])CCCC2)cc1 ZINC000324409231 1039424952 /nfs/dbraw/zinc/42/49/52/1039424952.db2.gz VGKSMAXRARRGGC-CQSZACIVSA-N -1 0 333.428 3.686 20 0 EHADRM CO[C@@H](C(=O)[O-])c1ccc(-c2ccc(NC(=O)C(C)(C)C)nc2)s1 ZINC000906241425 1039425909 /nfs/dbraw/zinc/42/59/09/1039425909.db2.gz NVMOBHJDQOANBH-CQSZACIVSA-N -1 0 348.424 3.567 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000237792313 1039428787 /nfs/dbraw/zinc/42/87/87/1039428787.db2.gz JYJHDPSTBQXPTD-HUUCEWRRSA-N -1 0 329.421 3.816 20 0 EHADRM C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000911592550 1039435681 /nfs/dbraw/zinc/43/56/81/1039435681.db2.gz TZZJDDIVZUPZCG-RISCZKNCSA-N -1 0 343.345 3.507 20 0 EHADRM C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000911679903 1039455781 /nfs/dbraw/zinc/45/57/81/1039455781.db2.gz UMMRONXHNALWAI-RYUDHWBXSA-N -1 0 335.366 3.601 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000236690806 1039458375 /nfs/dbraw/zinc/45/83/75/1039458375.db2.gz RJWHTHMYTZRAOL-LJQANCHMSA-N -1 0 330.428 3.640 20 0 EHADRM Cc1cc(F)c(NC(=O)C2([C@@H]3CCCCO3)CCC2)cc1C(=O)[O-] ZINC000911687804 1039460475 /nfs/dbraw/zinc/46/04/75/1039460475.db2.gz HGOONAMLFHGADA-HNNXBMFYSA-N -1 0 335.375 3.510 20 0 EHADRM COc1ccc2c(c1)CC[C@@H]2C(=O)Nc1cc(C(=O)[O-])c(C)cc1F ZINC000911690189 1039462795 /nfs/dbraw/zinc/46/27/95/1039462795.db2.gz YMHTUQHVQOZFRR-AWEZNQCLSA-N -1 0 343.354 3.509 20 0 EHADRM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cc(C(=O)[O-])c(C)cc1F ZINC000911690090 1039463243 /nfs/dbraw/zinc/46/32/43/1039463243.db2.gz UMVPGAWGGZRNGN-VIFPVBQESA-N -1 0 334.347 3.569 20 0 EHADRM Cc1cc(F)c(NC(=O)C2(c3cccnc3)CCCC2)cc1C(=O)[O-] ZINC000911688784 1039463453 /nfs/dbraw/zinc/46/34/53/1039463453.db2.gz NCOJOUAOGMTRKJ-UHFFFAOYSA-N -1 0 342.370 3.678 20 0 EHADRM Cc1cc(C(=O)NC23CCC(C(F)(F)F)(CC2)CC3)oc1C(=O)[O-] ZINC000911699189 1039467611 /nfs/dbraw/zinc/46/76/11/1039467611.db2.gz WCSONNABUQAQSL-UHFFFAOYSA-N -1 0 345.317 3.671 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000911742364 1039481621 /nfs/dbraw/zinc/48/16/21/1039481621.db2.gz JTSCIOOAYBPZPR-MUJYYYPQSA-N -1 0 339.391 3.837 20 0 EHADRM CC1(C)[C@H](OCc2ccccc2)C[C@@H]1N=c1[n-]nc(C(F)F)s1 ZINC000554679406 1039596293 /nfs/dbraw/zinc/59/62/93/1039596293.db2.gz PJCYLNJQZJEUPK-NWDGAFQWSA-N -1 0 339.411 3.693 20 0 EHADRM c1ccc(-c2n[n-]c(=NC[C@H]3CC[C@H](c4ccccc4)O3)s2)cc1 ZINC000554689398 1039612153 /nfs/dbraw/zinc/61/21/53/1039612153.db2.gz DIUKNSGPBAEUFU-IAGOWNOFSA-N -1 0 337.448 3.959 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)c2cc3cc(Cl)sc3[nH]2)s1 ZINC000485872825 1039652911 /nfs/dbraw/zinc/65/29/11/1039652911.db2.gz MTSDTNJPBKQPHC-UHFFFAOYSA-N -1 0 340.861 3.751 20 0 EHADRM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)N=c2cc(C)c(C)n[n-]2)o1 ZINC000480568732 1039709887 /nfs/dbraw/zinc/70/98/87/1039709887.db2.gz RITCYHLOLLOMFB-MLGOLLRUSA-N -1 0 342.443 3.676 20 0 EHADRM CCCc1ccc(C(=O)Nc2ccc3c(ccn3CC(=O)[O-])c2)cc1 ZINC000485958999 1039722030 /nfs/dbraw/zinc/72/20/30/1039722030.db2.gz SECSLIAEDFSUIB-UHFFFAOYSA-N -1 0 336.391 3.931 20 0 EHADRM O=C([N-]Oc1ccc(F)cc1)C1(c2ccccc2Cl)CCOCC1 ZINC000912261157 1039762661 /nfs/dbraw/zinc/76/26/61/1039762661.db2.gz BLPNEZWTYAYDJV-UHFFFAOYSA-N -1 0 349.789 3.638 20 0 EHADRM Cc1cc(Cl)c(C(=O)N=c2nc(-c3cccnc3)[n-]s2)cc1C ZINC000511623974 1039773446 /nfs/dbraw/zinc/77/34/46/1039773446.db2.gz DYZKQJYXMLYDQP-UHFFFAOYSA-N -1 0 344.827 3.545 20 0 EHADRM CC(C)c1n[n-]c(=N[C@H](c2ccn(C)n2)c2ccc(Cl)cc2)s1 ZINC000364120155 1039834420 /nfs/dbraw/zinc/83/44/20/1039834420.db2.gz ICKFGFWKOBCQHX-AWEZNQCLSA-N -1 0 347.875 3.672 20 0 EHADRM CN(Cc1c(F)cccc1Cl)C(=O)c1s[n-]c(=O)c1Cl ZINC000339230012 1039896890 /nfs/dbraw/zinc/89/68/90/1039896890.db2.gz DEHDGQCTHPUKNP-UHFFFAOYSA-N -1 0 335.187 3.567 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N[C@H](C)c2cccc(Cl)c2)s1 ZINC000486142876 1039914903 /nfs/dbraw/zinc/91/49/03/1039914903.db2.gz KHSMKXLKDMWKOT-MRVPVSSYSA-N -1 0 342.877 3.608 20 0 EHADRM CC(C)CC[C@@H](NC(=O)CSCC(=O)[O-])c1ccc(Cl)cc1 ZINC000549804628 1039920046 /nfs/dbraw/zinc/92/00/46/1039920046.db2.gz VTABHPRUHGYCKN-CQSZACIVSA-N -1 0 343.876 3.751 20 0 EHADRM COCCC[C@H](CN=c1[n-]c(C(C)C)no1)c1ccc(Cl)cc1 ZINC000553267902 1039920738 /nfs/dbraw/zinc/92/07/38/1039920738.db2.gz OTYFMTPTOGZFJI-CQSZACIVSA-N -1 0 337.851 3.891 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1nc2c(s1)CCCCC2 ZINC000479066692 1039930771 /nfs/dbraw/zinc/93/07/71/1039930771.db2.gz UUIBFYBQVAYQEM-UHFFFAOYSA-N -1 0 340.445 3.660 20 0 EHADRM CSCc1cnc(CN[C@H](C(=O)[O-])c2cccc(C)c2C)s1 ZINC000417562464 1040011320 /nfs/dbraw/zinc/01/13/20/1040011320.db2.gz MNBOOWRTBYAWGD-HNNXBMFYSA-N -1 0 336.482 3.538 20 0 EHADRM COCc1ccc(CN[C@]2(C(=O)[O-])C[C@@H](C(C)C)c3ccccc32)o1 ZINC000417577345 1040020792 /nfs/dbraw/zinc/02/07/92/1040020792.db2.gz JDIRCFNRMVSMPK-FXAWDEMLSA-N -1 0 343.423 3.639 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cc1O)c1cc(F)cc(Cl)c1 ZINC000534402332 1040037632 /nfs/dbraw/zinc/03/76/32/1040037632.db2.gz TYSLHFVSHXZJCU-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM CCc1nc(CN[C@@]2(C(=O)[O-])C[C@@H](C(C)C)c3ccccc32)cs1 ZINC000417575348 1040039125 /nfs/dbraw/zinc/03/91/25/1040039125.db2.gz FPNAFKNSWDUVPL-KXBFYZLASA-N -1 0 344.480 3.919 20 0 EHADRM CCCc1csc(CN[C@H](C(=O)[O-])C23CC4CC(CC(C4)C2)C3)n1 ZINC000417589845 1040043415 /nfs/dbraw/zinc/04/34/15/1040043415.db2.gz WGFIEYYMGOVOLR-DUKHMXAISA-N -1 0 348.512 3.855 20 0 EHADRM CC(=O)Nc1cccc(N=c2[n-]nc(S[C@@H]3CC[C@H](C)C3)s2)c1 ZINC000555015548 1040063450 /nfs/dbraw/zinc/06/34/50/1040063450.db2.gz GPGPDKZIUQCDNU-IINYFYTJSA-N -1 0 348.497 3.943 20 0 EHADRM COc1cccc(-c2cccc(C(=O)C[C@@H](C)C(=O)[O-])c2)c1OC ZINC000584848790 1040066787 /nfs/dbraw/zinc/06/67/87/1040066787.db2.gz BNFYJUWZAUWDQO-GFCCVEGCSA-N -1 0 328.364 3.664 20 0 EHADRM COc1ccc(CNc2ccccc2CCCC(=O)[O-])cc1OC ZINC000417618720 1040069621 /nfs/dbraw/zinc/06/96/21/1040069621.db2.gz GWUDYCWBPUILLM-UHFFFAOYSA-N -1 0 329.396 3.723 20 0 EHADRM CCOc1cccc(CNc2ccc(C[C@@H](CC)C(=O)[O-])cc2)n1 ZINC000417611680 1040079389 /nfs/dbraw/zinc/07/93/89/1040079389.db2.gz PRXJDQUKZWXBGY-OAHLLOKOSA-N -1 0 328.412 3.746 20 0 EHADRM CCN(Cc1cccs1)C(=O)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000322118198 1040080596 /nfs/dbraw/zinc/08/05/96/1040080596.db2.gz QOPHLRKOEFTXCR-SFHVURJKSA-N -1 0 331.437 3.529 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c1 ZINC000512553532 1040081489 /nfs/dbraw/zinc/08/14/89/1040081489.db2.gz FRXKDLOJBDGARW-LBPRGKRZSA-N -1 0 347.798 3.963 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1ccccc1C1CCC1)Cc1ccccc1 ZINC000907586338 1040101396 /nfs/dbraw/zinc/10/13/96/1040101396.db2.gz NJMDTTWWFAFDBR-QGZVFWFLSA-N -1 0 337.419 3.627 20 0 EHADRM CC(C)[C@H](C)CC(=O)NCc1c(C(=O)[O-])sc2ccsc21 ZINC000486408383 1040111045 /nfs/dbraw/zinc/11/10/45/1040111045.db2.gz NPJDQCAAEFMWBG-SECBINFHSA-N -1 0 325.455 3.959 20 0 EHADRM COc1cccc(NS(=O)(=O)c2ccc(OC(C)C)cc2)c1C ZINC000629315717 1040150257 /nfs/dbraw/zinc/15/02/57/1040150257.db2.gz BKHMRRJELKEBJZ-UHFFFAOYSA-N -1 0 335.425 3.592 20 0 EHADRM Cc1cc(NC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)c(C)c(C)c1O ZINC000907830231 1040192968 /nfs/dbraw/zinc/19/29/68/1040192968.db2.gz JQUFEAAZONJEDC-MGPUTAFESA-N -1 0 339.391 3.514 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC[C@H]2CCCN(c3ccccc3)C2)s1 ZINC000432926341 1040194388 /nfs/dbraw/zinc/19/43/88/1040194388.db2.gz FRBSNUXPKIKVNI-CQSZACIVSA-N -1 0 330.501 3.586 20 0 EHADRM CC(C)C[C@](C)(CNC(=O)c1cc(C2CC2)oc1C1CC1)C(=O)[O-] ZINC000907853232 1040201514 /nfs/dbraw/zinc/20/15/14/1040201514.db2.gz HIKQXJWFNDVWBX-LJQANCHMSA-N -1 0 333.428 3.901 20 0 EHADRM CCC1(CC)CCN(C(=O)N=c2ncn(C3CCCCC3)[n-]2)CC1 ZINC000486516013 1040205783 /nfs/dbraw/zinc/20/57/83/1040205783.db2.gz ITUHOTRPZHGPBZ-UHFFFAOYSA-N -1 0 333.480 3.639 20 0 EHADRM C[C@@]1(CN=c2[n-]nc(-c3ccccc3)s2)OCCc2sccc21 ZINC000555139816 1040223514 /nfs/dbraw/zinc/22/35/14/1040223514.db2.gz WMSXIEKQZGQIMG-KRWDZBQOSA-N -1 0 343.477 3.589 20 0 EHADRM CCc1ccc2c(c1)[C@@H](NC(=O)c1cccc(Cl)c1[O-])CCO2 ZINC001267879258 1040240614 /nfs/dbraw/zinc/24/06/14/1040240614.db2.gz GYFXJUJOXBQPLZ-HNNXBMFYSA-N -1 0 331.799 3.862 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)C1(C2CCCCC2)CC1 ZINC000907956500 1040246475 /nfs/dbraw/zinc/24/64/75/1040246475.db2.gz FFHUKGCPOUQVSJ-UHFFFAOYSA-N -1 0 340.427 3.785 20 0 EHADRM C[C@H](C(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@H]12)c1ccc2ccccc2c1 ZINC000907961739 1040247687 /nfs/dbraw/zinc/24/76/87/1040247687.db2.gz WETBLSQKSQRUMH-JGBSRCSISA-N -1 0 337.419 3.559 20 0 EHADRM CCC(C)(C)c1ccccc1C(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@H]12 ZINC000907970181 1040252503 /nfs/dbraw/zinc/25/25/03/1040252503.db2.gz OABXGQPSNWFWHF-GZIXRCOHSA-N -1 0 329.440 3.603 20 0 EHADRM CCc1cccnc1[N-]S(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000432953027 1040265252 /nfs/dbraw/zinc/26/52/52/1040265252.db2.gz CWARLBSIQWYOGI-UHFFFAOYSA-N -1 0 348.468 3.885 20 0 EHADRM CN(C(=O)CC[C@H]1CCc2ccccc21)c1cccc(CC(=O)[O-])c1 ZINC000908084136 1040280782 /nfs/dbraw/zinc/28/07/82/1040280782.db2.gz FWSCBHSUCQKNIE-QGZVFWFLSA-N -1 0 337.419 3.787 20 0 EHADRM CN(C(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1)c1cccc(CC(=O)[O-])c1 ZINC000908078585 1040289582 /nfs/dbraw/zinc/28/95/82/1040289582.db2.gz DKCAVGARIYTFMS-QZTJIDSGSA-N -1 0 341.382 3.609 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)N(C)c1cccc(CC(=O)[O-])c1 ZINC000908079838 1040290476 /nfs/dbraw/zinc/29/04/76/1040290476.db2.gz IRMNJQTUPGUCJU-CQSZACIVSA-N -1 0 343.398 3.685 20 0 EHADRM CC(C)Cc1nc(=N[C@H](C)c2ccc(-n3cccn3)c(F)c2)s[n-]1 ZINC000555207365 1040290669 /nfs/dbraw/zinc/29/06/69/1040290669.db2.gz XZABKAPYDBYADI-GFCCVEGCSA-N -1 0 345.447 3.656 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)Cc1ccc(C(=O)[O-])cc1)C(C)(C)C ZINC000908119345 1040297073 /nfs/dbraw/zinc/29/70/73/1040297073.db2.gz KBYVRAALWICMIL-SFHVURJKSA-N -1 0 340.423 3.534 20 0 EHADRM Fc1ccc2c(c1)[C@@H](Sc1n[n-]c(=NCC(F)(F)F)s1)CC2 ZINC000481041029 1040307490 /nfs/dbraw/zinc/30/74/90/1040307490.db2.gz AOPDBOIEJOFPMC-JTQLQIEISA-N -1 0 349.378 3.853 20 0 EHADRM COc1cc(C)c(C)cc1NC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000899314384 1040316919 /nfs/dbraw/zinc/31/69/19/1040316919.db2.gz YMEXSHMTVMGTTA-CQSZACIVSA-N -1 0 334.416 3.563 20 0 EHADRM COc1cc(C)cc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1C ZINC000899313819 1040316998 /nfs/dbraw/zinc/31/69/98/1040316998.db2.gz QWJQOAJEIMSDDO-CQSZACIVSA-N -1 0 334.416 3.563 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000236949126 1040369598 /nfs/dbraw/zinc/36/95/98/1040369598.db2.gz XZDCFZYLMLUQJB-MAUKXSAKSA-N -1 0 331.456 3.989 20 0 EHADRM O=c1c(C(F)(F)F)c(C2CC2)[n-]n1-c1ccc(OC(F)F)cc1 ZINC000899350235 1040372329 /nfs/dbraw/zinc/37/23/29/1040372329.db2.gz XBXCSXOLBJELPF-SNVBAGLBSA-N -1 0 334.244 3.579 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)Nc2cc(C)cc(OC)c2C)s1 ZINC000486749045 1040401484 /nfs/dbraw/zinc/40/14/84/1040401484.db2.gz VTIPLQPWGPMMNP-UHFFFAOYSA-N -1 0 334.445 3.572 20 0 EHADRM CC(C)(C(=O)NCCCCC1(C(=O)[O-])CCC1)c1ccccc1F ZINC000908340601 1040401784 /nfs/dbraw/zinc/40/17/84/1040401784.db2.gz DUDRGJSRZQSURU-UHFFFAOYSA-N -1 0 335.419 3.645 20 0 EHADRM CC(C)[C@@H](SCc1ccccc1)C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1 ZINC000908367673 1040415411 /nfs/dbraw/zinc/41/54/11/1040415411.db2.gz XNYRRWBWRVBWRY-LZLYRXPVSA-N -1 0 349.496 3.704 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)[C@H]1CC=CCC1)c1ccc(C(F)(F)F)cc1 ZINC000908408093 1040434556 /nfs/dbraw/zinc/43/45/56/1040434556.db2.gz PDLSPQZLKPKAQU-GXTWGEPZSA-N -1 0 341.329 3.694 20 0 EHADRM CC/C=C(\C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000908408147 1040435307 /nfs/dbraw/zinc/43/53/07/1040435307.db2.gz HDPKKTWXGZSVAR-CFDVYZKQSA-N -1 0 329.318 3.694 20 0 EHADRM CCCc1cc(=O)n(-c2nnc(-c3ccccc3)n2-c2ccccc2)[n-]1 ZINC000614189678 1040465109 /nfs/dbraw/zinc/46/51/09/1040465109.db2.gz OXGCLSPOBRXSDC-UHFFFAOYSA-N -1 0 345.406 3.827 20 0 EHADRM Cc1cc(F)ccc1CN(C)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000490324532 1040483421 /nfs/dbraw/zinc/48/34/21/1040483421.db2.gz DXNKLPXTYVAZPJ-UHFFFAOYSA-N -1 0 327.277 3.529 20 0 EHADRM COC(=O)c1sc2ccncc2c1Nc1ccc(C(=O)[O-])c(C)c1 ZINC001211654899 1040493288 /nfs/dbraw/zinc/49/32/88/1040493288.db2.gz DALDEYSDGPRRJH-UHFFFAOYSA-N -1 0 342.376 3.833 20 0 EHADRM COc1ccc(-n2ncc(C)c2Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC001211654997 1040523248 /nfs/dbraw/zinc/52/32/48/1040523248.db2.gz JFWQOOHYIIMVGF-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM C/C=C\C[C@@H](NC(=O)Nc1cccc(COC(C)(C)C)c1)C(=O)[O-] ZINC000908634388 1040542079 /nfs/dbraw/zinc/54/20/79/1040542079.db2.gz IBJBAXRSDFSWBI-IYKSTZQJSA-N -1 0 334.416 3.543 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)cc1 ZINC000499503519 1040547174 /nfs/dbraw/zinc/54/71/74/1040547174.db2.gz HCAMGJPONHUNDP-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM Cc1ccnc(NC(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)c1C1CC1 ZINC000908684209 1040572955 /nfs/dbraw/zinc/57/29/55/1040572955.db2.gz PRKXHLINGVBLPO-MRXNPFEDSA-N -1 0 339.395 3.557 20 0 EHADRM O=C([O-])C12CCC(C(=O)NCc3ccc(F)c(Cl)c3)(CC1)CC2 ZINC000908713992 1040607698 /nfs/dbraw/zinc/60/76/98/1040607698.db2.gz YEWLRJXFMGXTCP-UHFFFAOYSA-N -1 0 339.794 3.521 20 0 EHADRM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1csc(C(=O)[O-])n1 ZINC000908767294 1040640867 /nfs/dbraw/zinc/64/08/67/1040640867.db2.gz BIUHWDVWEPIHMH-HIFRSBDPSA-N -1 0 344.436 3.640 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000908766878 1040640900 /nfs/dbraw/zinc/64/09/00/1040640900.db2.gz UNWRVVYXYSVHHY-XHSDSOJGSA-N -1 0 335.831 3.895 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000908787329 1040648403 /nfs/dbraw/zinc/64/84/03/1040648403.db2.gz MFENZLAVSGFOGL-UHFFFAOYSA-N -1 0 349.333 3.584 20 0 EHADRM O=C([O-])C12CCC(C(=O)NCC3(c4ccc(Cl)cc4)CC3)(CC1)C2 ZINC000908777746 1040658481 /nfs/dbraw/zinc/65/84/81/1040658481.db2.gz DVCWEFBMQOJTPW-UHFFFAOYSA-N -1 0 347.842 3.523 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000908832122 1040679998 /nfs/dbraw/zinc/67/99/98/1040679998.db2.gz UOTRXJRXKRFZND-UKRRQHHQSA-N -1 0 327.380 3.552 20 0 EHADRM Cc1nc(C2CCCCC2)sc1C(=O)N(CCC(=O)[O-])C1CC1 ZINC000908872097 1040685933 /nfs/dbraw/zinc/68/59/33/1040685933.db2.gz YETRMGARRASIII-UHFFFAOYSA-N -1 0 336.457 3.579 20 0 EHADRM CC[C@](C)(NC(=O)c1sc2cccc(F)c2c1Cl)C(=O)[O-] ZINC000908921721 1040704741 /nfs/dbraw/zinc/70/47/41/1040704741.db2.gz FZHZSBYBBOSPSX-AWEZNQCLSA-N -1 0 329.780 3.677 20 0 EHADRM CC(C)(C)OC1CC(CC(=O)N[C@H](CCC(=O)[O-])c2ccccc2)C1 ZINC000908941411 1040716230 /nfs/dbraw/zinc/71/62/30/1040716230.db2.gz BXMVDQDKBSMLOB-BDVYOWHSSA-N -1 0 347.455 3.693 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1ccc2c(c1)CCCC2 ZINC000555528548 1040771596 /nfs/dbraw/zinc/77/15/96/1040771596.db2.gz HCZYBKQJWCTLRT-UHFFFAOYSA-N -1 0 348.406 3.617 20 0 EHADRM Cc1sc(CC(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)nc1C(C)C ZINC000909097297 1040800442 /nfs/dbraw/zinc/80/04/42/1040800442.db2.gz QBEITMIREBJKNK-RMKNXTFCSA-N -1 0 344.436 3.854 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1sc2cccc(F)c2c1Cl)C1CC1 ZINC000909079594 1040811579 /nfs/dbraw/zinc/81/15/79/1040811579.db2.gz NZSMKJXBHFHTTO-VIFPVBQESA-N -1 0 341.791 3.677 20 0 EHADRM CC[C@H](c1ccccc1OC)N(C)C(=O)c1s[n-]c(=O)c1Cl ZINC000490929188 1040828659 /nfs/dbraw/zinc/82/86/59/1040828659.db2.gz WCKOXSDEVUZDHE-SNVBAGLBSA-N -1 0 340.832 3.734 20 0 EHADRM CCSc1ccccc1CC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000909134942 1040837676 /nfs/dbraw/zinc/83/76/76/1040837676.db2.gz WWOHDPSNMCNABY-UHFFFAOYSA-N -1 0 343.448 3.698 20 0 EHADRM Cc1cccc(CS(=O)(=O)[N-]c2cc(-c3ccccc3F)on2)c1 ZINC000433125549 1040856933 /nfs/dbraw/zinc/85/69/33/1040856933.db2.gz LBIORMYCFPXGDM-UHFFFAOYSA-N -1 0 346.383 3.731 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCC[C@@H]2c2ccccc2)C1 ZINC000909701481 1040943416 /nfs/dbraw/zinc/94/34/16/1040943416.db2.gz SYQJIROHWPZZMF-HLIPFELVSA-N -1 0 329.440 3.530 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1occc1Br ZINC000163583525 1040948627 /nfs/dbraw/zinc/94/86/27/1040948627.db2.gz NEZORBZLEWQEFY-UHFFFAOYSA-N -1 0 339.170 3.724 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000909722521 1040966991 /nfs/dbraw/zinc/96/69/91/1040966991.db2.gz YLFWEGZSTNJPSM-GJZGRUSLSA-N -1 0 349.477 3.641 20 0 EHADRM Cc1ccc(F)c(OCC(=O)Nc2ccc3[n-]c(=S)oc3c2)c1 ZINC000163654663 1040980898 /nfs/dbraw/zinc/98/08/98/1040980898.db2.gz XANMTVPRVQDOHB-UHFFFAOYSA-N -1 0 332.356 3.582 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)Cc1cccc(C(F)F)c1 ZINC000909748694 1041002239 /nfs/dbraw/zinc/00/22/39/1041002239.db2.gz IVHYKUZJZVOUQN-ZDUSSCGKSA-N -1 0 347.361 3.669 20 0 EHADRM Cc1cc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)nn1[C@@H](C)C1CC1 ZINC000909837505 1041033842 /nfs/dbraw/zinc/03/38/42/1041033842.db2.gz WWLYZOZEOQKNRC-STQMWFEESA-N -1 0 341.411 3.603 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2ccc(C)cc2Cl)n1 ZINC000909950956 1041078016 /nfs/dbraw/zinc/07/80/16/1041078016.db2.gz LMMLNBJUVQYPNL-ZDUSSCGKSA-N -1 0 335.791 3.523 20 0 EHADRM CCCC(=O)Nc1cccc(NC(=O)[C@H](CC(=O)[O-])CC(C)C)c1C ZINC000899767928 1041096843 /nfs/dbraw/zinc/09/68/43/1041096843.db2.gz VWWPFIAMABBTFC-AWEZNQCLSA-N -1 0 348.443 3.809 20 0 EHADRM COc1cccc(C)c1NC(=O)C[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000899780204 1041101971 /nfs/dbraw/zinc/10/19/71/1041101971.db2.gz WWZQIDAINGDNJC-OAHLLOKOSA-N -1 0 327.380 3.509 20 0 EHADRM COc1cccc(C)c1NC(=O)C[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC000899780203 1041103124 /nfs/dbraw/zinc/10/31/24/1041103124.db2.gz WWZQIDAINGDNJC-HNNXBMFYSA-N -1 0 327.380 3.509 20 0 EHADRM CC(C)CCn1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)n1 ZINC000481582500 1041114267 /nfs/dbraw/zinc/11/42/67/1041114267.db2.gz RKAVPCCLZZTULF-UHFFFAOYSA-N -1 0 335.473 3.853 20 0 EHADRM Cc1ccccc1NC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000555767920 1041121948 /nfs/dbraw/zinc/12/19/48/1041121948.db2.gz JPSJVVPHJGFTSZ-WBVHZDCISA-N -1 0 330.428 3.882 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000899785417 1041122405 /nfs/dbraw/zinc/12/24/05/1041122405.db2.gz GYDCEZOJIDZGEW-CQSZACIVSA-N -1 0 342.395 3.949 20 0 EHADRM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000909988931 1041124584 /nfs/dbraw/zinc/12/45/84/1041124584.db2.gz JKVAHEFFQHQXOH-KBMXLJTQSA-N -1 0 346.471 3.634 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000899801911 1041140552 /nfs/dbraw/zinc/14/05/52/1041140552.db2.gz VZNBKLHWOFYLIP-GUYCJALGSA-N -1 0 345.443 3.513 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)N(Cc1ccco1)Cc1ccco1 ZINC000899796324 1041149702 /nfs/dbraw/zinc/14/97/02/1041149702.db2.gz JYMQIYCAMWZZTP-AWEZNQCLSA-N -1 0 333.384 3.538 20 0 EHADRM CC(C)(C)n1cc(C(=O)[O-])c(-c2ccccc2OC(F)(F)F)n1 ZINC000570986511 1041158619 /nfs/dbraw/zinc/15/86/19/1041158619.db2.gz FCZQFAMONVTLAX-UHFFFAOYSA-N -1 0 328.290 3.902 20 0 EHADRM COc1ccc(C2CCN(C(=O)[C@H](CC(=O)[O-])CC(C)C)CC2)cc1 ZINC000899820662 1041177008 /nfs/dbraw/zinc/17/70/08/1041177008.db2.gz VSLZDGKIXQNQMI-KRWDZBQOSA-N -1 0 347.455 3.538 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@H]2c2nc(C(=O)[O-])cs2)cc(C)c1F ZINC000910106092 1041192266 /nfs/dbraw/zinc/19/22/66/1041192266.db2.gz GGXAMTAWCWUCLM-ZDUSSCGKSA-N -1 0 348.399 3.575 20 0 EHADRM C[C@H]1C[C@H](C(=O)N2CCC[C@H]2c2nc(C(=O)[O-])cs2)C[C@@H](C)C1 ZINC000910111278 1041194174 /nfs/dbraw/zinc/19/41/74/1041194174.db2.gz ZUDKQPGFCYMXKV-SFTQSGBHSA-N -1 0 336.457 3.577 20 0 EHADRM CC1(C)CCC(C(=O)N2CCC[C@H]2c2nc(C(=O)[O-])cs2)CC1 ZINC000910110934 1041195437 /nfs/dbraw/zinc/19/54/37/1041195437.db2.gz WCQQZUYWFAIYOH-ZDUSSCGKSA-N -1 0 336.457 3.721 20 0 EHADRM CC1(C)C[C@H](CNC(=O)CC2(C(=O)[O-])CCCCCC2)C(C)(C)O1 ZINC000899847284 1041202494 /nfs/dbraw/zinc/20/24/94/1041202494.db2.gz NYRPKURRMZLKHJ-CQSZACIVSA-N -1 0 339.476 3.512 20 0 EHADRM COc1cc([C@H](C)NC(=O)CC2(C(=O)[O-])CCC2)cc2ccccc21 ZINC000899856164 1041237183 /nfs/dbraw/zinc/23/71/83/1041237183.db2.gz MWAIDKRFOYOHAY-ZDUSSCGKSA-N -1 0 341.407 3.671 20 0 EHADRM CC(C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F)=C1CCCC1 ZINC000910218964 1041239728 /nfs/dbraw/zinc/23/97/28/1041239728.db2.gz FFYBAXMWFVFPFO-UHFFFAOYSA-N -1 0 339.338 3.858 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)c1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000652080003 1041320574 /nfs/dbraw/zinc/32/05/74/1041320574.db2.gz WTNIDHHSBQGVFD-ZDUSSCGKSA-N -1 0 345.361 3.801 20 0 EHADRM CCCC[C@H](NC(=O)Cc1cc2c(ccc3ccccc23)o1)C(=O)[O-] ZINC000431999281 1041455514 /nfs/dbraw/zinc/45/55/14/1041455514.db2.gz PVUVEILGFJNGPX-KRWDZBQOSA-N -1 0 339.391 3.888 20 0 EHADRM COc1ccc2cccc(CC(=O)Nc3ccc(CC(=O)[O-])cc3)c2c1 ZINC000432001008 1041461174 /nfs/dbraw/zinc/46/11/74/1041461174.db2.gz VFSKVRFFRRCKOL-UHFFFAOYSA-N -1 0 349.386 3.657 20 0 EHADRM CC(C)c1ccc(CCC(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])cc1 ZINC000432093774 1041583920 /nfs/dbraw/zinc/58/39/20/1041583920.db2.gz FGMLMDSHOKYFIR-YLJYHZDGSA-N -1 0 331.456 3.892 20 0 EHADRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)CCC1CCCCC1 ZINC000432114181 1041609785 /nfs/dbraw/zinc/60/97/85/1041609785.db2.gz BBRHYYRGNSIJQZ-SFHVURJKSA-N -1 0 331.456 3.939 20 0 EHADRM C[C@]1(NC(=O)Cc2cc(Cl)ccc2Cl)CCCC[C@@H]1C(=O)[O-] ZINC000432116878 1041611798 /nfs/dbraw/zinc/61/17/98/1041611798.db2.gz NIQYDPGBOBFLAU-WBMJQRKESA-N -1 0 344.238 3.686 20 0 EHADRM C[C@]1(NC(=O)Cc2c(Cl)cccc2Cl)CCCC[C@@H]1C(=O)[O-] ZINC000432122692 1041618790 /nfs/dbraw/zinc/61/87/90/1041618790.db2.gz OORSXFHVBLXYSD-BZNIZROVSA-N -1 0 344.238 3.686 20 0 EHADRM CCCCOc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c(C)c1 ZINC000647693851 1041702153 /nfs/dbraw/zinc/70/21/53/1041702153.db2.gz PDMQVJNZUPYLMF-CJNGLKHVSA-N -1 0 348.443 3.748 20 0 EHADRM CCCc1nc(=NC(=O)c2ccc(Oc3ccccc3)o2)s[n-]1 ZINC000466937246 1041817188 /nfs/dbraw/zinc/81/71/88/1041817188.db2.gz BPVLABPQPLDIOR-UHFFFAOYSA-N -1 0 329.381 3.550 20 0 EHADRM CC(C)c1ccc(-c2nc(CN(C)Cc3n[n-]c(=O)o3)cs2)cc1 ZINC000660849737 1041846725 /nfs/dbraw/zinc/84/67/25/1041846725.db2.gz FBRFXEFTJANKNQ-UHFFFAOYSA-N -1 0 344.440 3.654 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CSC[C@H]2c2ccccc2)c1 ZINC000651667710 1041875881 /nfs/dbraw/zinc/87/58/81/1041875881.db2.gz OMTPIPWLKPMKOO-JKSUJKDBSA-N -1 0 341.432 3.680 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)NCCCCCC(=O)[O-] ZINC000236723412 1042085895 /nfs/dbraw/zinc/08/58/95/1042085895.db2.gz IFCFQWHQOXRLJK-HNNXBMFYSA-N -1 0 335.444 3.647 20 0 EHADRM CCc1oc(C(=O)NCCc2ccc(C(C)(C)C)cc2)cc1C(=O)[O-] ZINC000549548521 1042203196 /nfs/dbraw/zinc/20/31/96/1042203196.db2.gz DAJKERWGZGZNGD-UHFFFAOYSA-N -1 0 343.423 3.810 20 0 EHADRM Cc1cc(C)c(CC(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)s1 ZINC000909376462 1042320744 /nfs/dbraw/zinc/32/07/44/1042320744.db2.gz QFVPDNJZXDBQIP-HNNXBMFYSA-N -1 0 331.437 3.548 20 0 EHADRM Cc1nc(-c2ccccc2)sc1NC(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC000663045877 1042391154 /nfs/dbraw/zinc/39/11/54/1042391154.db2.gz LVWWGYMNLDMXIA-LBPRGKRZSA-N -1 0 332.425 3.804 20 0 EHADRM Cc1cc(NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)ccc1Oc1ccncc1 ZINC000663052298 1042398319 /nfs/dbraw/zinc/39/83/19/1042398319.db2.gz RULPFRADIHYMMW-LJQANCHMSA-N -1 0 340.379 3.622 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000048652140 1042399823 /nfs/dbraw/zinc/39/98/23/1042399823.db2.gz PDECOBUMGMBAAJ-UHFFFAOYSA-N -1 0 344.205 3.697 20 0 EHADRM O=C([O-])C1(C(=O)NC[C@H](Cc2ccccc2)c2ccccc2)CC=CC1 ZINC000663083439 1042431941 /nfs/dbraw/zinc/43/19/41/1042431941.db2.gz BVKVGQJIMZBJCO-IBGZPJMESA-N -1 0 349.430 3.550 20 0 EHADRM CCc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)sc1C ZINC000013257625 1042438547 /nfs/dbraw/zinc/43/85/47/1042438547.db2.gz JGSCIQPXCZLGTH-AWEZNQCLSA-N -1 0 335.400 3.704 20 0 EHADRM O=C(Nc1ccc(-c2ncc[nH]2)cc1)c1cc(F)c([O-])c(Cl)c1 ZINC000184345427 1042470225 /nfs/dbraw/zinc/47/02/25/1042470225.db2.gz BKIXQIALXJABGZ-UHFFFAOYSA-N -1 0 331.734 3.827 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)CCCc1ccc2ccccc2c1)C1CCC1 ZINC000663153339 1042496803 /nfs/dbraw/zinc/49/68/03/1042496803.db2.gz OEOACZUKMSYPIK-IBGZPJMESA-N -1 0 339.435 3.780 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)CCCc1csc2ccccc12)C1CCC1 ZINC000663154708 1042499705 /nfs/dbraw/zinc/49/97/05/1042499705.db2.gz MGTFCTJIVGIYMA-INIZCTEOSA-N -1 0 345.464 3.841 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)c2cc(F)c([O-])c(Cl)c2)s1 ZINC000184427604 1042540816 /nfs/dbraw/zinc/54/08/16/1042540816.db2.gz GNIIWTAJPHXRRZ-MRVPVSSYSA-N -1 0 327.808 3.916 20 0 EHADRM CCS[C@@H]1CC[C@H](N(C)C(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000184459753 1042551919 /nfs/dbraw/zinc/55/19/19/1042551919.db2.gz XJBBRNWMBRGWAR-WDEREUQCSA-N -1 0 331.840 3.931 20 0 EHADRM CCc1ccc(CN[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)o1 ZINC000663261892 1042608301 /nfs/dbraw/zinc/60/83/01/1042608301.db2.gz OCDYRLCLYHLRDW-AWEZNQCLSA-N -1 0 327.302 3.776 20 0 EHADRM Oc1ccccc1C=Nn1c(=S)[n-]nc1-c1cccc(Cl)c1 ZINC000254525441 1042609143 /nfs/dbraw/zinc/60/91/43/1042609143.db2.gz HJDJLVIVDLCDEF-UHFFFAOYSA-N -1 0 330.800 3.849 20 0 EHADRM COC[C@H](C)Oc1ccc(CNc2cccc(C(=O)[O-])c2C)cc1 ZINC000663259449 1042609666 /nfs/dbraw/zinc/60/96/66/1042609666.db2.gz BLGFECCJKWCCMH-ZDUSSCGKSA-N -1 0 329.396 3.719 20 0 EHADRM CCOc1ccc(-c2nc(CN(CC)[C@H](C)C(=O)[O-])cs2)cc1 ZINC000662216274 1042610440 /nfs/dbraw/zinc/61/04/40/1042610440.db2.gz NXFACXNQKSTKRG-GFCCVEGCSA-N -1 0 334.441 3.504 20 0 EHADRM CC(=O)c1ccc(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)c(F)c1 ZINC001213192392 1042617420 /nfs/dbraw/zinc/61/74/20/1042617420.db2.gz QWWHIXRQLLMACA-UHFFFAOYSA-N -1 0 344.342 3.575 20 0 EHADRM CCS[C@H]1CCCC[C@@H]1NC(=O)c1c(C)ccc(C)c1C(=O)[O-] ZINC000601999657 1042652290 /nfs/dbraw/zinc/65/22/90/1042652290.db2.gz JVRKYKXLCWKKBP-KBPBESRZSA-N -1 0 335.469 3.796 20 0 EHADRM Cc1cc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c(C)n1C(C)C ZINC000236785657 1042666701 /nfs/dbraw/zinc/66/67/01/1042666701.db2.gz SPYZVJWFJXNOHF-PVAVHDDUSA-N -1 0 332.444 3.544 20 0 EHADRM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000186571388 1042671239 /nfs/dbraw/zinc/67/12/39/1042671239.db2.gz VFWHSRYXBJJITR-QMMMGPOBSA-N -1 0 327.277 3.782 20 0 EHADRM Cc1c(CNC(=O)c2cc(F)c([O-])c(F)c2)oc2ccc(F)cc12 ZINC000186699908 1042690542 /nfs/dbraw/zinc/69/05/42/1042690542.db2.gz MAOPOTXMEXHWBK-UHFFFAOYSA-N -1 0 335.281 3.794 20 0 EHADRM Cc1c2nc(NC(=O)c3cc(F)c([O-])c(F)c3)sc2ccc1F ZINC000186861292 1042718747 /nfs/dbraw/zinc/71/87/47/1042718747.db2.gz PHTFANHAGWOAAZ-UHFFFAOYSA-N -1 0 338.310 3.980 20 0 EHADRM O=C([O-])[C@H](CNC(=O)Nc1ccc(Cl)cc1Cl)C1CCC1 ZINC000663339476 1042722188 /nfs/dbraw/zinc/72/21/88/1042722188.db2.gz VJWOCBPSUALVOG-SNVBAGLBSA-N -1 0 331.199 3.616 20 0 EHADRM COc1c(Cl)cccc1NC(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC000663343501 1042727535 /nfs/dbraw/zinc/72/75/35/1042727535.db2.gz SPBYVVDHSCNHFP-NSHDSACASA-N -1 0 342.823 3.607 20 0 EHADRM CCc1nc2cc(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)ccc2o1 ZINC000663345904 1042731398 /nfs/dbraw/zinc/73/13/98/1042731398.db2.gz OKRMWLCUIXENJP-LBPRGKRZSA-N -1 0 347.415 3.649 20 0 EHADRM COCCn1ccc2ccc(NC(=O)c3cc(F)c([O-])c(F)c3)cc21 ZINC000186984627 1042736828 /nfs/dbraw/zinc/73/68/28/1042736828.db2.gz KMJVGUGULYOYGL-UHFFFAOYSA-N -1 0 346.333 3.524 20 0 EHADRM CC(C)Sc1ccccc1NC(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663349234 1042737704 /nfs/dbraw/zinc/73/77/04/1042737704.db2.gz TUHCYAHAXDSPET-ZDUSSCGKSA-N -1 0 336.457 3.810 20 0 EHADRM O=C([O-])[C@H](CNC(=O)Nc1cc(Cl)c(Cl)cc1F)C1CCC1 ZINC000663354828 1042747100 /nfs/dbraw/zinc/74/71/00/1042747100.db2.gz ZMMSOOVRKZOJEJ-MRVPVSSYSA-N -1 0 349.189 3.755 20 0 EHADRM COc1cc(C)cc(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)c1C ZINC000663368724 1042759485 /nfs/dbraw/zinc/75/94/85/1042759485.db2.gz QBOSXTOSIPTNMU-AWEZNQCLSA-N -1 0 336.432 3.571 20 0 EHADRM N#Cc1ccc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)cc1[O-] ZINC000188342403 1042923788 /nfs/dbraw/zinc/92/37/88/1042923788.db2.gz KPNSODVPEXCBEZ-UHFFFAOYSA-N -1 0 341.798 3.770 20 0 EHADRM CC(C)(CC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC000653331649 1042967855 /nfs/dbraw/zinc/96/78/55/1042967855.db2.gz UUFRZLMPVSCRBK-ROUUACIJSA-N -1 0 337.419 3.784 20 0 EHADRM CC(C)COc1ccc(C(C)(C)CN=c2[n-]nc(C(F)F)o2)cc1 ZINC000432342366 1042975588 /nfs/dbraw/zinc/97/55/88/1042975588.db2.gz IWFQKXMJLRXZPR-UHFFFAOYSA-N -1 0 339.386 3.854 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)Nc2c(Cl)cccc2C(=O)[O-])s1 ZINC000314981453 1042984873 /nfs/dbraw/zinc/98/48/73/1042984873.db2.gz UJLCSRVWBPDWGC-UHFFFAOYSA-N -1 0 345.829 3.517 20 0 EHADRM CC(C)COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)n2)cc1 ZINC000317732338 1043051161 /nfs/dbraw/zinc/05/11/61/1043051161.db2.gz LMWVSMOIRDORRZ-UHFFFAOYSA-N -1 0 340.832 3.571 20 0 EHADRM Cc1noc(C(C)C)c1C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1 ZINC000077879574 1043077375 /nfs/dbraw/zinc/07/73/75/1043077375.db2.gz KANTVZGIPHSQOP-GFCCVEGCSA-N -1 0 336.413 3.502 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(OC3CCCCC3)cc2)C[C@@H]1C(=O)[O-] ZINC000647752463 1043252919 /nfs/dbraw/zinc/25/29/19/1043252919.db2.gz MYDNICSVBDEWGJ-KSSFIOAISA-N -1 0 345.439 3.581 20 0 EHADRM C[C@@H]1C[C@H](CCNS(=O)(=O)c2cc([O-])cc(F)c2)CC(C)(C)C1 ZINC001211705977 1044447981 /nfs/dbraw/zinc/44/79/81/1044447981.db2.gz ZSHZRBCLTHSZGB-OLZOCXBDSA-N -1 0 343.464 3.662 20 0 EHADRM C[C@H](C(=O)N1CCC(C)(C(=O)[O-])CC1)c1ccccc1C(F)(F)F ZINC000647762187 1044452857 /nfs/dbraw/zinc/45/28/57/1044452857.db2.gz OXZWNHQZBZIBFG-NSHDSACASA-N -1 0 343.345 3.522 20 0 EHADRM Cc1nn(-c2ccccc2)cc1[N-]c1nc(C2CCOCC2)ns1 ZINC000663786342 1044518140 /nfs/dbraw/zinc/51/81/40/1044518140.db2.gz WIOMBNPZZCNCAC-UHFFFAOYSA-N -1 0 341.440 3.670 20 0 EHADRM CCCCC[C@H](C)NC(=O)c1ccc(-n2ncc(C(=O)[O-])c2C)cc1 ZINC000236859391 1044766719 /nfs/dbraw/zinc/76/67/19/1044766719.db2.gz TYPLZTHUEPLQIF-ZDUSSCGKSA-N -1 0 343.427 3.578 20 0 EHADRM CC[C@H](SC)C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000153521320 1125513492 /nfs/dbraw/zinc/51/34/92/1125513492.db2.gz SZDOFXARSUJUJP-VIFPVBQESA-N -1 0 338.654 3.888 20 0 EHADRM CC(C)C(=O)Nc1ccc(NC(=O)CC2(CC(=O)[O-])CCCC2)cc1 ZINC000336884089 1126814928 /nfs/dbraw/zinc/81/49/28/1126814928.db2.gz AJDMZNQABMBTKD-UHFFFAOYSA-N -1 0 346.427 3.645 20 0 EHADRM Cc1c(-c2nc(-c3ccc4[n-]c(=S)sc4c3)no2)ccn1C ZINC001213060633 1126864820 /nfs/dbraw/zinc/86/48/20/1126864820.db2.gz NBDHHFVTDXLLPH-UHFFFAOYSA-N -1 0 328.422 3.949 20 0 EHADRM CS(=O)(=O)c1ccc(-c2csc3ccc(C(=O)[O-])cc32)cc1 ZINC000623329364 1126916604 /nfs/dbraw/zinc/91/66/04/1126916604.db2.gz VERGCMJBAZZUAA-UHFFFAOYSA-N -1 0 332.402 3.670 20 0 EHADRM CCOC(=O)c1cnc(C(C)=Cc2ccc(Cl)c(F)c2)[nH]c1=O ZINC000347481553 1126987871 /nfs/dbraw/zinc/98/78/71/1126987871.db2.gz JIGDFWSXPLYWBQ-TWGQIWQCSA-N -1 0 336.750 3.712 20 0 EHADRM CN(C)C(=O)Sc1cccc(NC(=O)c2c([O-])cccc2F)c1 ZINC000185732226 1126991736 /nfs/dbraw/zinc/99/17/36/1126991736.db2.gz HABKOTLVBCZJFI-UHFFFAOYSA-N -1 0 334.372 3.557 20 0 EHADRM Cc1n[nH]cc1[N-]S(=O)(=O)c1ccc(Oc2cccc(C)c2)cc1 ZINC000179094444 1127044819 /nfs/dbraw/zinc/04/48/19/1127044819.db2.gz ZJYIMSMFMWHPKA-UHFFFAOYSA-N -1 0 343.408 3.620 20 0 EHADRM [O-]c1ccc(-c2nc(-c3ccc(-c4nnco4)cc3)no2)cc1Cl ZINC000350778789 1127101637 /nfs/dbraw/zinc/10/16/37/1127101637.db2.gz SIRNINHDOJOMBD-UHFFFAOYSA-N -1 0 340.726 3.813 20 0 EHADRM Cc1nc2ccc([N-]S(=O)(=O)c3cccc(C)c3Cl)cc2o1 ZINC000179967245 1127104724 /nfs/dbraw/zinc/10/47/24/1127104724.db2.gz ZVADMWJGXFHEGE-UHFFFAOYSA-N -1 0 336.800 3.899 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cccc(C)c2Cl)cc1F ZINC000179974299 1127105622 /nfs/dbraw/zinc/10/56/22/1127105622.db2.gz TZSNNRLRDLTIHR-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2c(C)cccc2OC(F)F)c(C)o1 ZINC000182791115 1127347598 /nfs/dbraw/zinc/34/75/98/1127347598.db2.gz VZXHWHZBWXWVEG-UHFFFAOYSA-N -1 0 331.340 3.607 20 0 EHADRM CSCc1ccccc1[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000184034467 1127392793 /nfs/dbraw/zinc/39/27/93/1127392793.db2.gz SEQNJKSCEOQCFG-UHFFFAOYSA-N -1 0 325.430 3.798 20 0 EHADRM CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1cccc(Cl)c1[O-] ZINC000764422784 1127491643 /nfs/dbraw/zinc/49/16/43/1127491643.db2.gz YVJBOHVADNFYIQ-AWEZNQCLSA-N -1 0 344.842 3.787 20 0 EHADRM CC(C)COc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000385955578 1127616566 /nfs/dbraw/zinc/61/65/66/1127616566.db2.gz FRVJEHRCDFQNFU-UHFFFAOYSA-N -1 0 340.832 3.571 20 0 EHADRM CC(C)[C@H](CNC(=O)c1ccc([O-])c(Cl)c1)Nc1ccccc1 ZINC000042790432 1127900555 /nfs/dbraw/zinc/90/05/55/1127900555.db2.gz AGMGEDBWJVQWRO-INIZCTEOSA-N -1 0 332.831 3.912 20 0 EHADRM CC(C)CCOc1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000064374062 1128166410 /nfs/dbraw/zinc/16/64/10/1128166410.db2.gz PTCTUYVSZYQYOT-UHFFFAOYSA-N -1 0 325.455 3.974 20 0 EHADRM CCCC[C@@H](NC(=O)Nc1ccc(C)c(Br)c1)C(=O)[O-] ZINC000109437648 1128202387 /nfs/dbraw/zinc/20/23/87/1128202387.db2.gz UZSLPXKFGFHJSL-GFCCVEGCSA-N -1 0 343.221 3.522 20 0 EHADRM CSCc1ccc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000066965949 1128230957 /nfs/dbraw/zinc/23/09/57/1128230957.db2.gz RGOURDWZHHXDLG-IBGZPJMESA-N -1 0 343.448 3.921 20 0 EHADRM COc1c(Cl)cccc1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000067456347 1128241248 /nfs/dbraw/zinc/24/12/48/1128241248.db2.gz BFXRQCDWESBVSJ-UHFFFAOYSA-N -1 0 325.792 3.712 20 0 EHADRM COc1c(Cl)cccc1NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000067456324 1128241478 /nfs/dbraw/zinc/24/14/78/1128241478.db2.gz LTHQYMQUSVMCQC-GOSISDBHSA-N -1 0 347.798 3.720 20 0 EHADRM CCCCN(C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)[C@@H](C)CC ZINC000073488739 1128323253 /nfs/dbraw/zinc/32/32/53/1128323253.db2.gz GRKKMBPVPAFCRV-HNNXBMFYSA-N -1 0 329.444 3.515 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)c2nccc3ccsc32)s1 ZINC000624515953 1128382745 /nfs/dbraw/zinc/38/27/45/1128382745.db2.gz RZAZVYJPKZBAIV-UHFFFAOYSA-N -1 0 332.454 3.726 20 0 EHADRM CC[C@@H](N=c1[n-]nc(C2CCOCC2)s1)c1cc(F)ccc1F ZINC000338671928 1128445132 /nfs/dbraw/zinc/44/51/32/1128445132.db2.gz GXHQGTCYYSLHSO-CQSZACIVSA-N -1 0 339.411 3.695 20 0 EHADRM CC[C@@H](NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccc(C)cc1 ZINC000655858917 1128508841 /nfs/dbraw/zinc/50/88/41/1128508841.db2.gz BJVNVHKZVWZJCJ-QMCVQRASSA-N -1 0 346.471 3.881 20 0 EHADRM CC(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000055590382 1128524163 /nfs/dbraw/zinc/52/41/63/1128524163.db2.gz DUNJDUACDIMZRI-UHFFFAOYSA-N -1 0 331.846 3.990 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)c(C)c1 ZINC000055663414 1128526464 /nfs/dbraw/zinc/52/64/64/1128526464.db2.gz BOQYXLLDXOLKFL-UHFFFAOYSA-N -1 0 331.846 3.909 20 0 EHADRM Fc1ccccc1-c1ccc(CN=c2[n-]nc(C(F)(F)F)s2)o1 ZINC000542753290 1128577278 /nfs/dbraw/zinc/57/72/78/1128577278.db2.gz OXMSIKQDPLWEFP-UHFFFAOYSA-N -1 0 343.305 3.990 20 0 EHADRM O=C(NOCc1ccc(F)cc1)c1c([O-])cc(Cl)cc1Cl ZINC000186486498 1128763630 /nfs/dbraw/zinc/76/36/30/1128763630.db2.gz YYOICQKFQPHYCB-UHFFFAOYSA-N -1 0 330.142 3.700 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000074562106 1128814987 /nfs/dbraw/zinc/81/49/87/1128814987.db2.gz RSFGJKUREQDLLF-ZDUSSCGKSA-N -1 0 329.400 3.987 20 0 EHADRM CC[C@@H](C)C[C@@H](C)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cn1 ZINC001168692929 1128887713 /nfs/dbraw/zinc/88/77/13/1128887713.db2.gz ZRMNQODBLAQFSU-ZIAGYGMSSA-N -1 0 348.472 3.514 20 0 EHADRM CCC[C@@H](CNC(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000263092638 1120314935 /nfs/dbraw/zinc/31/49/35/1120314935.db2.gz DUEYTJCUPGQSTJ-AAEUAGOBSA-N -1 0 345.361 3.501 20 0 EHADRM CC[C@@H](NCc1cc2ccccc2cc1OC)c1nc(C(=O)[O-])c[nH]1 ZINC000904064789 1120351699 /nfs/dbraw/zinc/35/16/99/1120351699.db2.gz MRJYBAPYOQIBDE-OAHLLOKOSA-N -1 0 339.395 3.511 20 0 EHADRM COc1ccc(CCC2CCN(c3ncccc3C(=O)[O-])CC2)cc1 ZINC000013279917 1128912214 /nfs/dbraw/zinc/91/22/14/1128912214.db2.gz ZMTQJKKLLBLAOZ-UHFFFAOYSA-N -1 0 340.423 3.638 20 0 EHADRM Cc1coc(-c2cccc([N-]S(=O)(=O)c3c(C)cccc3F)c2)n1 ZINC000187022822 1120484148 /nfs/dbraw/zinc/48/41/48/1120484148.db2.gz ODRVSFUMNXZNCY-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM CCC[C@H](C)[C@H]1CCCN1C(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000494226785 1120507328 /nfs/dbraw/zinc/50/73/28/1120507328.db2.gz KCCVPQZMVRIBLM-NWDGAFQWSA-N -1 0 334.445 3.653 20 0 EHADRM C[C@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000494326760 1120535805 /nfs/dbraw/zinc/53/58/05/1120535805.db2.gz GPUHAHOCYOQVHF-SSDOTTSWSA-N -1 0 349.296 3.503 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2nnc(-c3cccs3)o2)cc1 ZINC000190350488 1120634670 /nfs/dbraw/zinc/63/46/70/1120634670.db2.gz MOCLKHPZSWBLRW-UHFFFAOYSA-N -1 0 349.437 3.551 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1ccc(-c2ccccc2)nn1 ZINC000191032557 1120659133 /nfs/dbraw/zinc/65/91/33/1120659133.db2.gz KCEURMWQMVOQOH-UHFFFAOYSA-N -1 0 339.420 3.507 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(-c2ccccn2)ccc1Cl ZINC000761653412 1120713556 /nfs/dbraw/zinc/71/35/56/1120713556.db2.gz YQHYEWGEVTZOPS-SFHVURJKSA-N -1 0 346.814 3.775 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2ccccc2OC(F)F)c1C ZINC000195437835 1120784250 /nfs/dbraw/zinc/78/42/50/1120784250.db2.gz QOHAIDDLGPOWMK-UHFFFAOYSA-N -1 0 327.352 3.706 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC[C@H]1c1ccc(O)cc1 ZINC000761746506 1120869715 /nfs/dbraw/zinc/86/97/15/1120869715.db2.gz VXSCCZUWPCGYGI-HNNXBMFYSA-N -1 0 340.404 3.799 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cn1)c1ccc(C(F)(F)F)cc1 ZINC000008697858 1128951551 /nfs/dbraw/zinc/95/15/51/1128951551.db2.gz TXUYMGZMTKGTGA-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM CCC[C@H](C)[C@@H]1CCCN1C(=O)N=c1[n-]nc(SCC)s1 ZINC000495145751 1120969390 /nfs/dbraw/zinc/96/93/90/1120969390.db2.gz HDMYEYJGTUNXJO-QWRGUYRKSA-N -1 0 328.507 3.505 20 0 EHADRM O=S(=O)([N-]c1ccc2[nH]ccc2c1)c1cccc2c1N=S=N2 ZINC000112850755 1128955584 /nfs/dbraw/zinc/95/55/84/1128955584.db2.gz VVORLIVBVNKMMP-UHFFFAOYSA-N -1 0 330.394 3.695 20 0 EHADRM CCCCCC[C@](C)(NC(=O)c1cncc2ccccc21)C(=O)[O-] ZINC000761952865 1121015703 /nfs/dbraw/zinc/01/57/03/1121015703.db2.gz ZINBCIRKLYWCPR-IBGZPJMESA-N -1 0 328.412 3.778 20 0 EHADRM COc1ccc(/C=C/C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000762157099 1121139047 /nfs/dbraw/zinc/13/90/47/1121139047.db2.gz HREVKOCAPGIVIW-WEKMIXOTSA-N -1 0 339.391 3.610 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)CCCC(C)(C)C)c(Cl)cc1F ZINC000762170040 1121143000 /nfs/dbraw/zinc/14/30/00/1121143000.db2.gz FLFVUNBUMBSZRV-UHFFFAOYSA-N -1 0 349.855 3.809 20 0 EHADRM CC(C)CN(CC(C)(C)C)C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000762554632 1121355605 /nfs/dbraw/zinc/35/56/05/1121355605.db2.gz AARCBAYWKVNFBH-UHFFFAOYSA-N -1 0 347.434 3.861 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)c3cc(F)c([O-])c(F)c3)cc2)co1 ZINC000762554574 1121355800 /nfs/dbraw/zinc/35/58/00/1121355800.db2.gz DRDOPXDTWNNOGS-UHFFFAOYSA-N -1 0 330.290 3.886 20 0 EHADRM COC(=O)c1oc([C@H](C)OC(=O)c2ccc([O-])c(Cl)c2)cc1C ZINC000762821843 1121449100 /nfs/dbraw/zinc/44/91/00/1121449100.db2.gz GAACGWKBXWRVRI-VIFPVBQESA-N -1 0 338.743 3.652 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccccc1 ZINC000237761111 1121493884 /nfs/dbraw/zinc/49/38/84/1121493884.db2.gz KFWTYFBEGDCFIF-KUHUBIRLSA-N -1 0 337.419 3.757 20 0 EHADRM Cc1ccc(-c2nc(C(=O)NC(C)(C)CCC(=O)[O-])cs2)c(C)c1 ZINC000237807092 1121494835 /nfs/dbraw/zinc/49/48/35/1121494835.db2.gz XUGFDYSFRIOSDB-UHFFFAOYSA-N -1 0 346.452 3.800 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)c2cccc(-n3cccc3)c2)cc1 ZINC000237957198 1121498995 /nfs/dbraw/zinc/49/89/95/1121498995.db2.gz ZTARHBXBOMNURI-DHZHZOJOSA-N -1 0 332.359 3.827 20 0 EHADRM CCCCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000325973817 1121711880 /nfs/dbraw/zinc/71/18/80/1121711880.db2.gz XHEWOSIBZREOHC-UHFFFAOYSA-N -1 0 331.343 3.955 20 0 EHADRM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccccc3F)c2)oc1C ZINC000054294074 1121751128 /nfs/dbraw/zinc/75/11/28/1121751128.db2.gz STPZZXHHDSZRDF-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM O=c1nc(CSc2c(F)cc(F)cc2F)[n-]c2ccsc21 ZINC000054476271 1121762013 /nfs/dbraw/zinc/76/20/13/1121762013.db2.gz GJNBSWSGMISAOW-UHFFFAOYSA-N -1 0 328.340 3.694 20 0 EHADRM CCC(CC)c1nnc([N-]C(=O)c2cc(-c3ccco3)on2)s1 ZINC000054847280 1121783302 /nfs/dbraw/zinc/78/33/02/1121783302.db2.gz MOGWQOATXDIMFH-UHFFFAOYSA-N -1 0 332.385 3.942 20 0 EHADRM O=C([O-])[C@@H]1CCO[C@H]1c1cncc(-c2ccc(C(F)F)c(F)c2)c1 ZINC000901100067 1121864558 /nfs/dbraw/zinc/86/45/58/1121864558.db2.gz UXZGDMRVXDATFY-HIFRSBDPSA-N -1 0 337.297 3.988 20 0 EHADRM Cc1cnc(C(=O)Nc2cccc(C3SCCS3)c2)c([O-])c1 ZINC000763234486 1121917300 /nfs/dbraw/zinc/91/73/00/1121917300.db2.gz VITUWLHTTLACGT-UHFFFAOYSA-N -1 0 332.450 3.827 20 0 EHADRM CC(C)COc1ccc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1 ZINC000326662508 1121972937 /nfs/dbraw/zinc/97/29/37/1121972937.db2.gz FUZVILFOPYPJTN-NXHRZFHOSA-N -1 0 345.439 3.579 20 0 EHADRM O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1ncccc1[O-] ZINC000127005717 1122268789 /nfs/dbraw/zinc/26/87/89/1122268789.db2.gz BBBNBALBMMJQLL-UHFFFAOYSA-N -1 0 330.347 3.583 20 0 EHADRM COc1c(F)ccc(F)c1C(=O)[N-]c1nc(-c2ccccc2)ns1 ZINC000125482947 1122317776 /nfs/dbraw/zinc/31/77/76/1122317776.db2.gz AINQPUWSBUPNSF-UHFFFAOYSA-N -1 0 347.346 3.744 20 0 EHADRM CCSc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000916762527 1122343970 /nfs/dbraw/zinc/34/39/70/1122343970.db2.gz OLQVHLBGWZUWPQ-UHFFFAOYSA-N -1 0 349.477 3.534 20 0 EHADRM O=C([N-]S(=O)(=O)/C=C/c1ccccc1)c1cccc2ccccc21 ZINC000916782661 1122347627 /nfs/dbraw/zinc/34/76/27/1122347627.db2.gz ZHYRAUGTOCBRBZ-BUHFOSPRSA-N -1 0 337.400 3.570 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)CC2CCCCC2)c1C ZINC000916804814 1122351582 /nfs/dbraw/zinc/35/15/82/1122351582.db2.gz UVLZTBNAIMQSEY-UHFFFAOYSA-N -1 0 337.485 3.696 20 0 EHADRM Cc1ccc(C)c([C@H]2CN(C(=O)c3c([O-])cccc3F)[C@@H](C)CO2)c1 ZINC000126537346 1122411506 /nfs/dbraw/zinc/41/15/06/1122411506.db2.gz HKJCWSJTBULUFX-KBXCAEBGSA-N -1 0 343.398 3.750 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CC[C@@H](CSc2ccccc2)C1 ZINC000126997412 1122456179 /nfs/dbraw/zinc/45/61/79/1122456179.db2.gz KSCIHUGZIGSKOW-CYBMUJFWSA-N -1 0 331.412 3.786 20 0 EHADRM O=C([O-])c1cccc2oc(/C=C/c3ccc(-n4cccn4)cc3)nc21 ZINC000670369752 1122580158 /nfs/dbraw/zinc/58/01/58/1122580158.db2.gz ZTMVHKABGYLRTJ-JXMROGBWSA-N -1 0 331.331 3.882 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)/C=C\c1ccccc1Cl ZINC000324740942 1122718672 /nfs/dbraw/zinc/71/86/72/1122718672.db2.gz MEWVHUREWGHWLX-HJCTWCACSA-N -1 0 341.794 3.564 20 0 EHADRM Cc1nc(SC[C@@H]2CC[C@@H](C(F)(F)F)O2)[nH]c(=O)c1C1CC1 ZINC000918464320 1122814195 /nfs/dbraw/zinc/81/41/95/1122814195.db2.gz ZHTHCGNVNSHPQJ-UWVGGRQHSA-N -1 0 334.363 3.570 20 0 EHADRM CCc1n[n-]c(=NCc2cnc(-c3ccc(Cl)cc3)s2)s1 ZINC000556327785 1122930260 /nfs/dbraw/zinc/93/02/60/1122930260.db2.gz ALMBYJHTXBLDCP-UHFFFAOYSA-N -1 0 336.873 3.911 20 0 EHADRM CC(C)(C)n1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)cn1 ZINC000065834020 1129095956 /nfs/dbraw/zinc/09/59/56/1129095956.db2.gz HRPLYJQWMKDEHE-UHFFFAOYSA-N -1 0 329.425 3.592 20 0 EHADRM CCCN(C(=O)N[C@@H](C)c1cc2ccccc2s1)[C@H](C)C(=O)[O-] ZINC000556707693 1123089447 /nfs/dbraw/zinc/08/94/47/1123089447.db2.gz CODDLPMVHNYCQY-NWDGAFQWSA-N -1 0 334.441 3.857 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000262920244 1123098631 /nfs/dbraw/zinc/09/86/31/1123098631.db2.gz JGMBOZREFHTSRP-RKVPGOIHSA-N -1 0 331.456 3.873 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cn(C(C)C)cn2)cccc1C(F)(F)F ZINC000132180510 1123207169 /nfs/dbraw/zinc/20/71/69/1123207169.db2.gz QNCKPVQJJJQJOP-UHFFFAOYSA-N -1 0 347.362 3.592 20 0 EHADRM O=C(Nc1ccc(N2CCCCC2)cn1)c1c([O-])cccc1Cl ZINC000920452610 1123370722 /nfs/dbraw/zinc/37/07/22/1123370722.db2.gz SZKKVUYVJXMYQN-UHFFFAOYSA-N -1 0 331.803 3.683 20 0 EHADRM O=S(=O)(Cc1ccccc1F)[N-][C@H](c1ccccc1)C(F)(F)F ZINC000076351490 1123489597 /nfs/dbraw/zinc/48/95/97/1123489597.db2.gz RRHPXZSJSZAPKA-CQSZACIVSA-N -1 0 347.333 3.549 20 0 EHADRM CC[C@@H](NC(=O)C[C@@H](C(=O)[O-])c1ccccc1)c1ccc(OC)cc1 ZINC000013467975 1129125630 /nfs/dbraw/zinc/12/56/30/1129125630.db2.gz ARFDSXOLMFIWBC-QZTJIDSGSA-N -1 0 341.407 3.521 20 0 EHADRM CCN(CC(C)C)C(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000135789643 1123645647 /nfs/dbraw/zinc/64/56/47/1123645647.db2.gz MHWVGUVSOZHKAL-UHFFFAOYSA-N -1 0 334.641 3.926 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1C[C@H](C(=O)[O-])[C@@H](C2CC2)C1 ZINC000263294765 1123747243 /nfs/dbraw/zinc/74/72/43/1123747243.db2.gz MCZAIBMMFGEJFH-KGLIPLIRSA-N -1 0 347.411 3.532 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccnn2C(C)C)cc1C(F)(F)F ZINC000066248552 1129142548 /nfs/dbraw/zinc/14/25/48/1129142548.db2.gz VUYMFSYVUPNEEF-UHFFFAOYSA-N -1 0 347.362 3.592 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N([C@@H](C)C(C)C)C2CC2)n1 ZINC000080474253 1123755616 /nfs/dbraw/zinc/75/56/16/1123755616.db2.gz ZKLKEMTZTPFIGE-ZDUSSCGKSA-N -1 0 345.418 3.675 20 0 EHADRM Cc1ccccc1OCCCC(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000237551882 1123768165 /nfs/dbraw/zinc/76/81/65/1123768165.db2.gz QNDHYVFFFHUNAI-JLHYYAGUSA-N -1 0 339.391 3.891 20 0 EHADRM O=C(Nc1c(=O)[nH][n-]c1-c1ccccc1)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000615280488 1123770898 /nfs/dbraw/zinc/77/08/98/1123770898.db2.gz FBZLMFNDLFSLKY-WDEREUQCSA-N -1 0 339.317 3.699 20 0 EHADRM CC(=O)[C@H]1CCCCN1C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000615520173 1123820119 /nfs/dbraw/zinc/82/01/19/1123820119.db2.gz KTZWPPMZPCZFME-MRXNPFEDSA-N -1 0 331.799 3.783 20 0 EHADRM Cc1c(NC(=O)c2cc(-c3ccccc3F)on2)cccc1C(=O)[O-] ZINC000615939117 1123911107 /nfs/dbraw/zinc/91/11/07/1123911107.db2.gz SDSRTTPJGVGDKQ-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000238098526 1123979475 /nfs/dbraw/zinc/97/94/75/1123979475.db2.gz USQQPUJSZPRZDQ-UKRRQHHQSA-N -1 0 339.382 3.610 20 0 EHADRM C[C@@H](Oc1cccc(C(=O)/C=C/c2c(F)cccc2F)c1)C(=O)[O-] ZINC000068726417 1124011036 /nfs/dbraw/zinc/01/10/36/1124011036.db2.gz MHKKUFMJXJBATB-ANYFNZRUSA-N -1 0 332.302 3.713 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)CCCC1 ZINC000263545676 1124063395 /nfs/dbraw/zinc/06/33/95/1124063395.db2.gz TYGKDJUPZRRNAH-CYBMUJFWSA-N -1 0 347.308 3.620 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1cc(F)cc2nc[nH]c21 ZINC000357083223 1129170816 /nfs/dbraw/zinc/17/08/16/1129170816.db2.gz AYVUDYAXMARXCV-UHFFFAOYSA-N -1 0 340.141 3.967 20 0 EHADRM C[C@@H]1CCC[C@H](CCNC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)C1 ZINC000734558437 1131249062 /nfs/dbraw/zinc/24/90/62/1131249062.db2.gz UMILSXBJZXBFJQ-VXGBXAGGSA-N -1 0 345.468 3.570 20 0 EHADRM O=C([O-])c1coc(C(=O)N2CCC[C@H]2CCCc2ccccc2)c1 ZINC000263569174 1124516035 /nfs/dbraw/zinc/51/60/35/1124516035.db2.gz HISAEFRMXRHNNV-MRXNPFEDSA-N -1 0 327.380 3.605 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC(c3ccsc3)CC2)c(F)c1 ZINC000263573754 1124627628 /nfs/dbraw/zinc/62/76/28/1124627628.db2.gz MTYJSVUDYFMHCB-UHFFFAOYSA-N -1 0 333.384 3.605 20 0 EHADRM O=C([O-])/C=C/c1cnc(/C=C/c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000181449846 1124847796 /nfs/dbraw/zinc/84/77/96/1124847796.db2.gz LTUMIOPLPVTUIY-YBSXJGAUSA-N -1 0 336.756 3.973 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)C(C)(C)c2ccccc2)cc1C ZINC000069534743 1124861043 /nfs/dbraw/zinc/86/10/43/1124861043.db2.gz OOUONUGDUBGOLS-UHFFFAOYSA-N -1 0 331.437 3.926 20 0 EHADRM CCCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000735204342 1131316509 /nfs/dbraw/zinc/31/65/09/1131316509.db2.gz UCCWDVGFHWIAOP-GFCCVEGCSA-N -1 0 347.427 3.766 20 0 EHADRM Cc1ccc(C(=O)[N-]S(=O)(=O)C(C)C)c(Sc2ccccc2)c1 ZINC000181527074 1124919514 /nfs/dbraw/zinc/91/95/14/1124919514.db2.gz VMBRWPOORSSRHL-UHFFFAOYSA-N -1 0 349.477 3.614 20 0 EHADRM COc1cc(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)cc(Cl)c1O ZINC000618054118 1124942243 /nfs/dbraw/zinc/94/22/43/1124942243.db2.gz GQISTVVBNFAXJV-ZUZCIYMTSA-N -1 0 331.799 3.512 20 0 EHADRM CC[C@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000182582151 1125333873 /nfs/dbraw/zinc/33/38/73/1125333873.db2.gz AFRAWRZMOXHKGC-BQBZGAKWSA-N -1 0 344.285 3.542 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000261892010 1125389102 /nfs/dbraw/zinc/38/91/02/1125389102.db2.gz ZTMYIHNZJCNJSS-UONOGXRCSA-N -1 0 325.364 3.918 20 0 EHADRM COc1ncccc1NC(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000153008177 1125417200 /nfs/dbraw/zinc/41/72/00/1125417200.db2.gz MPZNXDGPWLHDEK-UHFFFAOYSA-N -1 0 328.155 3.747 20 0 EHADRM COc1cccc(N=c2[n-]nc(S[C@H](C)c3ccncc3)s2)c1 ZINC000619948774 1125433062 /nfs/dbraw/zinc/43/30/62/1125433062.db2.gz GGTUBQLRMOERLH-LLVKDONJSA-N -1 0 344.465 3.961 20 0 EHADRM O=C([O-])c1cnc(C=Cc2ccc(-c3ccc(F)cc3)s2)[nH]c1=O ZINC000670369755 1129206878 /nfs/dbraw/zinc/20/68/78/1129206878.db2.gz ACOLETQASNTKCY-VURMDHGXSA-N -1 0 342.351 3.918 20 0 EHADRM CCc1noc(C)c1CSc1n[n-]c(=Nc2ccccc2)s1 ZINC000466146823 1129254027 /nfs/dbraw/zinc/25/40/27/1129254027.db2.gz PRTCNFKCRHVSBF-UHFFFAOYSA-N -1 0 332.454 3.855 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1F)c1cc2ccccc2o1 ZINC000478851876 1129280862 /nfs/dbraw/zinc/28/08/62/1129280862.db2.gz HXAPDCKONCIQSH-SNVBAGLBSA-N -1 0 327.311 3.761 20 0 EHADRM CSc1c(F)cc([N-]S(=O)(=O)c2cc(C)ccc2F)cc1F ZINC000543165057 1129304175 /nfs/dbraw/zinc/30/41/75/1129304175.db2.gz MFCSLWXGOGCHST-UHFFFAOYSA-N -1 0 347.383 3.935 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000358583035 1129400535 /nfs/dbraw/zinc/40/05/35/1129400535.db2.gz DLBLDXZCTOOHJB-QGZVFWFLSA-N -1 0 327.355 3.810 20 0 EHADRM C[C@H]1C[C@H](C(=O)Nc2cc(Cl)cc(Br)c2[O-])CCO1 ZINC000272066696 1129403892 /nfs/dbraw/zinc/40/38/92/1129403892.db2.gz OMHPUYVSVWZVJM-JGVFFNPUSA-N -1 0 348.624 3.562 20 0 EHADRM Cc1cc(Cl)ccc1NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000499727843 1129422669 /nfs/dbraw/zinc/42/26/69/1129422669.db2.gz QQQRXAAXRUSVJU-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM O=C(Nc1n[nH]c(-c2ccccc2F)n1)c1coc(C2CCCC2)n1 ZINC000338840112 1129432217 /nfs/dbraw/zinc/43/22/17/1129432217.db2.gz DEYCSDHSVSHHFA-UHFFFAOYSA-N -1 0 341.346 3.509 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnn(-c3ccc(C)cc3C)c2)s1 ZINC000466429198 1129442463 /nfs/dbraw/zinc/44/24/63/1129442463.db2.gz WBXVQPRIAFUYSX-UHFFFAOYSA-N -1 0 347.465 3.660 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cc2ccccc2o1)c1ccc(F)cc1 ZINC000013176885 1129509054 /nfs/dbraw/zinc/50/90/54/1129509054.db2.gz PBKOSEQPUFXJPO-CQSZACIVSA-N -1 0 327.311 3.518 20 0 EHADRM CCc1ccc(C(=O)[C@H](C)OC(=O)c2c(F)cc([O-])cc2F)cc1 ZINC000735952718 1131393307 /nfs/dbraw/zinc/39/33/07/1131393307.db2.gz RPQUARGVIXWIHP-JTQLQIEISA-N -1 0 334.318 3.661 20 0 EHADRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc2[nH]c(C)cc2c1 ZINC000509104294 1129752480 /nfs/dbraw/zinc/75/24/80/1129752480.db2.gz VAIOCADDEHXLEA-UHFFFAOYSA-N -1 0 344.436 3.903 20 0 EHADRM CCNc1ccnc(Cl)c1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212511019 1129872824 /nfs/dbraw/zinc/87/28/24/1129872824.db2.gz OIDNOSDDDGOKAH-UHFFFAOYSA-N -1 0 327.718 3.887 20 0 EHADRM CCC(CC)c1n[n-]c(=NCc2cn(C)nc2-c2ccccc2)s1 ZINC000347828096 1129894959 /nfs/dbraw/zinc/89/49/59/1129894959.db2.gz WDHMXYZBGQSGQG-UHFFFAOYSA-N -1 0 341.484 3.876 20 0 EHADRM CN(CC(=O)Nc1cc(Cl)c([O-])c(Cl)c1)c1ccccc1 ZINC000159307533 1129901476 /nfs/dbraw/zinc/90/14/76/1129901476.db2.gz NNDUYLFTLLSPHJ-UHFFFAOYSA-N -1 0 325.195 3.774 20 0 EHADRM O=C([O-])c1ccc(Nc2nc(F)ccc2Br)c(F)c1F ZINC001212512110 1129920265 /nfs/dbraw/zinc/92/02/65/1129920265.db2.gz VXCSRIQHLYRADA-UHFFFAOYSA-N -1 0 347.090 3.703 20 0 EHADRM COCCCOc1ccc(Nc2ccc(C(=O)[O-])c(F)c2F)cc1 ZINC001212513213 1129924175 /nfs/dbraw/zinc/92/41/75/1129924175.db2.gz FVZKBFCRTJUKTI-UHFFFAOYSA-N -1 0 337.322 3.822 20 0 EHADRM CCOc1cc(CN=c2[n-]nc(CC3CCCCC3)o2)ccc1OC ZINC000347869415 1129949164 /nfs/dbraw/zinc/94/91/64/1129949164.db2.gz FMJVLELNQGQGDE-UHFFFAOYSA-N -1 0 345.443 3.634 20 0 EHADRM O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1cc(F)c(F)c([O-])c1F ZINC000543540180 1129950773 /nfs/dbraw/zinc/95/07/73/1129950773.db2.gz VCECEWGLHWESIY-ZDUSSCGKSA-N -1 0 349.230 3.843 20 0 EHADRM CCOc1ccccc1CN=c1[n-]nc(CCCc2cccs2)o1 ZINC000347887458 1129982170 /nfs/dbraw/zinc/98/21/70/1129982170.db2.gz HZLASZHHSGRPIZ-UHFFFAOYSA-N -1 0 343.452 3.739 20 0 EHADRM CCOc1ccc(S(=O)(=O)Nc2cccc3[nH]ccc32)c(C)c1 ZINC000171180325 1130029506 /nfs/dbraw/zinc/02/95/06/1130029506.db2.gz ZJURFAIIASEILF-UHFFFAOYSA-N -1 0 330.409 3.676 20 0 EHADRM CC(C)(CC(=O)N(Cc1c(F)cccc1F)C1CCCC1)C(=O)[O-] ZINC000674992248 1130237817 /nfs/dbraw/zinc/23/78/17/1130237817.db2.gz PXCFLQQOCNJCGD-UHFFFAOYSA-N -1 0 339.382 3.737 20 0 EHADRM CC(C)(CNC(=O)CC1(CC(=O)[O-])CCCCC1)[C@H]1CCCCO1 ZINC000675149172 1130264664 /nfs/dbraw/zinc/26/46/64/1130264664.db2.gz JBOFRKVWJVICTC-OAHLLOKOSA-N -1 0 339.476 3.513 20 0 EHADRM CCC[C@H](NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-])c1ccc(F)cc1F ZINC000675149579 1130264743 /nfs/dbraw/zinc/26/47/43/1130264743.db2.gz OVTZYIBCNJQWDA-ZENOOKHLSA-N -1 0 337.366 3.589 20 0 EHADRM CCOc1c(F)cccc1Nc1c(C)cc(C)cc1S(=O)(=O)[O-] ZINC001212536761 1130321270 /nfs/dbraw/zinc/32/12/70/1130321270.db2.gz BSNYGTWZWVDLKR-UHFFFAOYSA-N -1 0 339.388 3.832 20 0 EHADRM C[C@@H](C[C@H]1CCOC1)NC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000675415721 1130361227 /nfs/dbraw/zinc/36/12/27/1130361227.db2.gz IMOVXSNNXHCSKH-NWDGAFQWSA-N -1 0 333.815 3.744 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC000675965126 1130511599 /nfs/dbraw/zinc/51/15/99/1130511599.db2.gz AJEMALPYHPEOPC-UHFFFAOYSA-N -1 0 325.364 3.603 20 0 EHADRM O=C([O-])CCN(CC1CC1)C(=O)CCc1ccc(Cl)cc1Cl ZINC000675970934 1130512088 /nfs/dbraw/zinc/51/20/88/1130512088.db2.gz IYTAOBNIKYVWAV-UHFFFAOYSA-N -1 0 344.238 3.639 20 0 EHADRM Cc1cc(O[C@@H](C)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)ccc1C(C)C ZINC000676218337 1130546741 /nfs/dbraw/zinc/54/67/41/1130546741.db2.gz MUKMGXRXLJUTNJ-HOTGVXAUSA-N -1 0 347.455 3.599 20 0 EHADRM O=S(=O)([N-]c1cc(F)cc(F)c1)c1cccc(C(F)(F)F)c1 ZINC000028781179 1130645622 /nfs/dbraw/zinc/64/56/22/1130645622.db2.gz KQHGAQZSOZBGGY-UHFFFAOYSA-N -1 0 337.269 3.784 20 0 EHADRM CCCC[C@H](CCC)OC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O ZINC000730299288 1130696904 /nfs/dbraw/zinc/69/69/04/1130696904.db2.gz CUGUUDOQLVQOGV-ZDUSSCGKSA-N -1 0 345.436 3.713 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(Cl)c2)s1 ZINC000731783496 1130846613 /nfs/dbraw/zinc/84/66/13/1130846613.db2.gz LVTBRDWJJFEFKC-UHFFFAOYSA-N -1 0 344.889 3.831 20 0 EHADRM CC(C)CCS(=O)(=O)[N-]C(=O)c1ccccc1Oc1ccccc1 ZINC000732512288 1130929445 /nfs/dbraw/zinc/92/94/45/1130929445.db2.gz NPZCHGGJFSOILR-UHFFFAOYSA-N -1 0 347.436 3.585 20 0 EHADRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)CCc1ccc2ccccc2c1 ZINC000732906708 1130972478 /nfs/dbraw/zinc/97/24/78/1130972478.db2.gz PGKXGNATYBAOCK-OAHLLOKOSA-N -1 0 347.480 3.655 20 0 EHADRM CCC(CC)CS(=O)(=O)[N-]C(=O)c1cc2cc(F)ccc2s1 ZINC000733059806 1130989671 /nfs/dbraw/zinc/98/96/71/1130989671.db2.gz DBIHBROVPTVKSQ-UHFFFAOYSA-N -1 0 343.445 3.536 20 0 EHADRM CCC(CC)CS(=O)(=O)[N-]C(=O)c1cc2cc(Cl)ccc2o1 ZINC000733060215 1130990262 /nfs/dbraw/zinc/99/02/62/1130990262.db2.gz RIJOEFQKFLUIOZ-UHFFFAOYSA-N -1 0 343.832 3.582 20 0 EHADRM CCC(CC)CS(=O)(=O)[N-]C(=O)/C=C(\C)c1ccccc1Cl ZINC000733060950 1130990356 /nfs/dbraw/zinc/99/03/56/1130990356.db2.gz DVSSTZOOIPNEAS-ZRDIBKRKSA-N -1 0 343.876 3.626 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)c1ccccc1Oc1ccccc1 ZINC000733713194 1131073433 /nfs/dbraw/zinc/07/34/33/1131073433.db2.gz WIHVHQHLIAYNNE-UHFFFAOYSA-N -1 0 347.436 3.727 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000734080385 1131193814 /nfs/dbraw/zinc/19/38/14/1131193814.db2.gz OBIQQNFIYRHYCT-CQSZACIVSA-N -1 0 341.448 3.627 20 0 EHADRM CC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000780418065 1131227799 /nfs/dbraw/zinc/22/77/99/1131227799.db2.gz ODCSFKWYBZNGAW-UHFFFAOYSA-N -1 0 341.791 3.791 20 0 EHADRM CCC(CC)CS(=O)(=O)[N-]C(=O)[C@H](CC(C)C)c1ccccc1 ZINC000741118045 1131578328 /nfs/dbraw/zinc/57/83/28/1131578328.db2.gz CKTUWBZTEZFVHI-QGZVFWFLSA-N -1 0 339.501 3.699 20 0 EHADRM CS[C@H]1CC[C@H](NS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000742328100 1131706074 /nfs/dbraw/zinc/70/60/74/1131706074.db2.gz IIWFDKGSJPRQPE-IUCAKERBSA-N -1 0 340.297 3.556 20 0 EHADRM Cc1nnc(-c2ccc(NC(=O)c3ccc([O-])c(Cl)c3)cc2)o1 ZINC000743476407 1131929885 /nfs/dbraw/zinc/92/98/85/1131929885.db2.gz BASKKWFAPFNDGR-UHFFFAOYSA-N -1 0 329.743 3.656 20 0 EHADRM CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000744010530 1132007935 /nfs/dbraw/zinc/00/79/35/1132007935.db2.gz LHVZTTBEYBJJSA-LBPRGKRZSA-N -1 0 331.865 3.751 20 0 EHADRM CCCCCC(=O)[N-]S(=O)(=O)c1ccc(OCC)c2ccccc21 ZINC000744260103 1132057324 /nfs/dbraw/zinc/05/73/24/1132057324.db2.gz MFMBJILSNLCDIH-UHFFFAOYSA-N -1 0 349.452 3.624 20 0 EHADRM CCOc1ccc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)cc1 ZINC001173854363 1132156001 /nfs/dbraw/zinc/15/60/01/1132156001.db2.gz XEVRJPITJOUQEZ-UHFFFAOYSA-N -1 0 327.789 3.729 20 0 EHADRM COc1ccc(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)cc1F ZINC001173865723 1132159051 /nfs/dbraw/zinc/15/90/51/1132159051.db2.gz FLLQUNCHPYPKMO-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM COc1ccc(F)c(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)c1 ZINC001174208988 1132286322 /nfs/dbraw/zinc/28/63/22/1132286322.db2.gz NGZDXAKTOUNAPE-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM CN(C)S(=O)(=O)c1ccc(Nc2ccc(Cl)cc2[S-])cc1 ZINC001174259481 1132303850 /nfs/dbraw/zinc/30/38/50/1132303850.db2.gz QVBAOKLRRSTSRA-UHFFFAOYSA-N -1 0 342.873 3.623 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccn2)c(C)s1 ZINC000182950006 1132311295 /nfs/dbraw/zinc/31/12/95/1132311295.db2.gz WXKLPGWSUDNWMN-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM COc1ccc(Cn2cc(Nc3ccc([S-])c(OC)c3)cn2)cc1 ZINC001174438862 1132355882 /nfs/dbraw/zinc/35/58/82/1132355882.db2.gz RRTGXWJSKMPMKT-UHFFFAOYSA-N -1 0 341.436 3.981 20 0 EHADRM COc1cc(Nc2cccc(C=CC(=O)[O-])c2)c(C(C)=O)cc1OC ZINC001174496479 1132371852 /nfs/dbraw/zinc/37/18/52/1132371852.db2.gz LDTXHCIYGIVQSA-BQYQJAHWSA-N -1 0 341.363 3.748 20 0 EHADRM COC(Cc1ccc(Nc2cccc(/C=C/C(=O)[O-])c2)cc1)OC ZINC001174499887 1132379441 /nfs/dbraw/zinc/37/94/41/1132379441.db2.gz ZZKQPQDFZIVMLG-DHZHZOJOSA-N -1 0 327.380 3.689 20 0 EHADRM Cc1ccc(CN(C(=O)c2ccc3[n-]c(=S)oc3c2)C2CC2)o1 ZINC000746131302 1132380471 /nfs/dbraw/zinc/38/04/71/1132380471.db2.gz SZHMAXHNDDTMAF-UHFFFAOYSA-N -1 0 328.393 3.823 20 0 EHADRM CC(C)COc1ccc(NC(=O)c2ccc3[n-]c(=S)oc3c2)cn1 ZINC000746277187 1132400356 /nfs/dbraw/zinc/40/03/56/1132400356.db2.gz GKJBFFRIHBOVNX-UHFFFAOYSA-N -1 0 343.408 3.799 20 0 EHADRM COc1cc(NC(=O)c2c([O-])cc(F)cc2F)ccc1OC(C)C ZINC000185827150 1132418954 /nfs/dbraw/zinc/41/89/54/1132418954.db2.gz QJRBRDAPFCKQLZ-UHFFFAOYSA-N -1 0 337.322 3.719 20 0 EHADRM COc1ccc(C(C)=O)c(Nc2ccc(C(=O)[O-])cc2OC)c1C ZINC001174676017 1132432724 /nfs/dbraw/zinc/43/27/24/1132432724.db2.gz BPMLGVLQMLCODE-UHFFFAOYSA-N -1 0 329.352 3.657 20 0 EHADRM CCc1nc(Cl)c(Nc2ccc(C(=O)[O-])cc2OC)c(Cl)n1 ZINC001174673757 1132432865 /nfs/dbraw/zinc/43/28/65/1132432865.db2.gz MWCWROUBVAZWFT-UHFFFAOYSA-N -1 0 342.182 3.796 20 0 EHADRM COC(=O)c1cc(C)c(Nc2ccc(C(=O)[O-])cc2OC)cc1C ZINC001174675495 1132432912 /nfs/dbraw/zinc/43/29/12/1132432912.db2.gz LXELAMHBKFWZLQ-UHFFFAOYSA-N -1 0 329.352 3.540 20 0 EHADRM COc1cc(Nc2c(C)cnn2-c2ccc(F)cc2)ccc1C(=O)[O-] ZINC001174682894 1132434805 /nfs/dbraw/zinc/43/48/05/1132434805.db2.gz GREJDAGVVCGUMQ-UHFFFAOYSA-N -1 0 341.342 3.770 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cccc(C2=NC(C)(C)CO2)c1 ZINC001174679756 1132435041 /nfs/dbraw/zinc/43/50/41/1132435041.db2.gz FIRZMGUMWBRAPE-UHFFFAOYSA-N -1 0 340.379 3.692 20 0 EHADRM COC(=O)c1ccc(Cl)cc1Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001174683501 1132435713 /nfs/dbraw/zinc/43/57/13/1132435713.db2.gz NKAJPZRZPTXPAI-UHFFFAOYSA-N -1 0 335.743 3.577 20 0 EHADRM COc1cc(Nc2ccnn2-c2ccc(Cl)cc2)ccc1C(=O)[O-] ZINC001174684226 1132435849 /nfs/dbraw/zinc/43/58/49/1132435849.db2.gz HOJFCYRSWZHDLC-UHFFFAOYSA-N -1 0 343.770 3.976 20 0 EHADRM COc1cc(Nc2cccc3c2CC(C)(C)C(=O)N3)ccc1C(=O)[O-] ZINC001174687837 1132436596 /nfs/dbraw/zinc/43/65/96/1132436596.db2.gz GMDLIGADCGJROK-UHFFFAOYSA-N -1 0 340.379 3.658 20 0 EHADRM CC(C)Oc1ccc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)cn1 ZINC001174764343 1132458678 /nfs/dbraw/zinc/45/86/78/1132458678.db2.gz BIGBKSWQVFZEEF-UHFFFAOYSA-N -1 0 342.804 3.513 20 0 EHADRM COc1ccccc1-n1ncc(C)c1Nc1ccc(C(=O)[O-])s1 ZINC001174807227 1132479427 /nfs/dbraw/zinc/47/94/27/1132479427.db2.gz IAXNVWITDBKOOT-UHFFFAOYSA-N -1 0 329.381 3.693 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(Br)c3nccn3c2)s1 ZINC001174809073 1132480056 /nfs/dbraw/zinc/48/00/56/1132480056.db2.gz XMRNEKRSAMBBMU-UHFFFAOYSA-N -1 0 338.186 3.600 20 0 EHADRM COCc1ccc(Nc2ccc3ccccc3c2S(=O)(=O)[O-])cc1 ZINC001174922448 1132505787 /nfs/dbraw/zinc/50/57/87/1132505787.db2.gz YLFHCVLKDBZXRM-UHFFFAOYSA-N -1 0 343.404 3.977 20 0 EHADRM O=C([O-])Cc1ccc(Nc2cccc(C(=O)Nc3cccnc3)c2)cc1 ZINC001174953758 1132517313 /nfs/dbraw/zinc/51/73/13/1132517313.db2.gz YYYAPAWKTOOLQD-UHFFFAOYSA-N -1 0 347.374 3.705 20 0 EHADRM COc1c(N)cc(C(C)(C)C)cc1Nc1ccc(CC(=O)[O-])cc1 ZINC001174956867 1132518495 /nfs/dbraw/zinc/51/84/95/1132518495.db2.gz REAZGOWFZKJTHY-UHFFFAOYSA-N -1 0 328.412 3.946 20 0 EHADRM O=S(=O)([O-])c1cc(Cl)ccc1Nc1cc(F)c(F)c(F)c1 ZINC001174959838 1132519100 /nfs/dbraw/zinc/51/91/00/1132519100.db2.gz NACFYFNXNYHSNB-UHFFFAOYSA-N -1 0 337.706 3.748 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1ccc(S(=O)(=O)C(C)C)cc1 ZINC001174981697 1132533788 /nfs/dbraw/zinc/53/37/88/1132533788.db2.gz GKWWJCYVZYLTLI-UHFFFAOYSA-N -1 0 333.409 3.619 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1cc(Br)cn2ccnc12 ZINC001174981998 1132534622 /nfs/dbraw/zinc/53/46/22/1132534622.db2.gz TZSSEHUVSRABCL-UHFFFAOYSA-N -1 0 346.184 3.847 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1cc(Cl)ccc1N1CCOCC1 ZINC001174982134 1132535516 /nfs/dbraw/zinc/53/55/16/1132535516.db2.gz LSMGSEADFMNIIX-UHFFFAOYSA-N -1 0 346.814 3.927 20 0 EHADRM COc1ccccc1-n1ncc(C)c1Nc1cc(C(=O)[O-])ccc1C ZINC001174982592 1132535583 /nfs/dbraw/zinc/53/55/83/1132535583.db2.gz UEMLNTKWGLBQJL-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1c(N)ccc(F)c1Br ZINC001174986718 1132536140 /nfs/dbraw/zinc/53/61/40/1132536140.db2.gz UUTLFOWXDAEMOA-UHFFFAOYSA-N -1 0 339.164 3.921 20 0 EHADRM CC(C)(C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1)C1CCCCC1 ZINC000766429620 1132542769 /nfs/dbraw/zinc/54/27/69/1132542769.db2.gz OLOPKILFXLOHRZ-UHFFFAOYSA-N -1 0 329.400 3.575 20 0 EHADRM O=C([O-])c1ccc(Nc2cccc(F)c2OC[C@@H]2CCCO2)cc1F ZINC001175162441 1132587302 /nfs/dbraw/zinc/58/73/02/1132587302.db2.gz ZXCIUQTYGKIZOL-LBPRGKRZSA-N -1 0 349.333 3.964 20 0 EHADRM O=C([O-])c1cc(Nc2ccc3nnc(-c4ccccc4)n3c2)ccc1F ZINC001175217931 1132597872 /nfs/dbraw/zinc/59/78/72/1132597872.db2.gz XVFAXKRXLWYHDH-UHFFFAOYSA-N -1 0 348.337 3.977 20 0 EHADRM CCOc1cccc(F)c1Nc1cc(S(=O)(=O)[O-])ccc1Cl ZINC001175228057 1132601568 /nfs/dbraw/zinc/60/15/68/1132601568.db2.gz YIFKXBKNVSXTDM-UHFFFAOYSA-N -1 0 345.779 3.868 20 0 EHADRM COC(=O)c1nc(Cl)ccc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175314048 1132635427 /nfs/dbraw/zinc/63/54/27/1132635427.db2.gz APFOVUMQAMADSC-UHFFFAOYSA-N -1 0 341.150 3.617 20 0 EHADRM O=C([O-])c1ccc(Nc2ccccc2N2CCOCC2)cc1Cl ZINC001175315780 1132635840 /nfs/dbraw/zinc/63/58/40/1132635840.db2.gz KZMUTERNJALXRZ-UHFFFAOYSA-N -1 0 332.787 3.618 20 0 EHADRM Cc1cnn(-c2ccccn2)c1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175316210 1132635902 /nfs/dbraw/zinc/63/59/02/1132635902.db2.gz OADLGSSPWBJPBT-UHFFFAOYSA-N -1 0 328.759 3.671 20 0 EHADRM CCOC(=O)c1nc(C)sc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175316975 1132635948 /nfs/dbraw/zinc/63/59/48/1132635948.db2.gz POXCQPCTGSDROG-UHFFFAOYSA-N -1 0 340.788 3.723 20 0 EHADRM Cc1cc(Nc2ccc(C(=O)[O-])c(Cl)c2)n(CC2CCOCC2)n1 ZINC001175317417 1132636964 /nfs/dbraw/zinc/63/69/64/1132636964.db2.gz ZPGACRCIUMFCLS-UHFFFAOYSA-N -1 0 349.818 3.713 20 0 EHADRM O=C([O-])c1cccc(Nc2cccn3c(Br)cnc23)c1 ZINC001175327546 1132639132 /nfs/dbraw/zinc/63/91/32/1132639132.db2.gz MPAFHNSKIYBELN-UHFFFAOYSA-N -1 0 332.157 3.539 20 0 EHADRM CCOC(=O)c1ccc(Nc2ccc(C(=O)[O-])c(Cl)c2)c(OC)c1 ZINC001175321865 1132639387 /nfs/dbraw/zinc/63/93/87/1132639387.db2.gz OSGJWWMIXHVMTC-UHFFFAOYSA-N -1 0 349.770 3.967 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccc(Nc2cccc(C(=O)[O-])c2)cn1 ZINC001175329010 1132640224 /nfs/dbraw/zinc/64/02/24/1132640224.db2.gz PZWLCKVLAPKQTN-UHFFFAOYSA-N -1 0 329.356 3.870 20 0 EHADRM COC(=O)c1sc2cccnc2c1Nc1cccc(C(=O)[O-])c1 ZINC001175327995 1132640368 /nfs/dbraw/zinc/64/03/68/1132640368.db2.gz ABRWHQHGOJOKAV-UHFFFAOYSA-N -1 0 328.349 3.525 20 0 EHADRM COc1cccc(C(=O)C(F)(F)F)c1Nc1cccc(C(=O)[O-])c1 ZINC001175335315 1132641927 /nfs/dbraw/zinc/64/19/27/1132641927.db2.gz ZZWICRMUEAYFQZ-UHFFFAOYSA-N -1 0 339.269 3.882 20 0 EHADRM O=c1[n-]c(F)c(Cl)c(Nc2ccc(N3CCCC3)nc2)c1Cl ZINC001175349195 1132643077 /nfs/dbraw/zinc/64/30/77/1132643077.db2.gz MHEAEBDJUBQALN-UHFFFAOYSA-N -1 0 343.189 3.972 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccc(Nc2cc(=O)[n-]c(Cl)n2)cc1 ZINC001175548201 1132690527 /nfs/dbraw/zinc/69/05/27/1132690527.db2.gz XOJZOHXFNHSCKM-UHFFFAOYSA-N -1 0 336.779 3.926 20 0 EHADRM Cc1ccc(CCCNc2ccc(Br)cc2C(=O)[O-])cn1 ZINC001169256085 1132710890 /nfs/dbraw/zinc/71/08/90/1132710890.db2.gz IBNFSHMVUYENRF-UHFFFAOYSA-N -1 0 349.228 3.895 20 0 EHADRM CSc1ccc(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)cn1 ZINC001175655543 1132731991 /nfs/dbraw/zinc/73/19/91/1132731991.db2.gz LVWMBOVFSHLQIK-UHFFFAOYSA-N -1 0 346.433 3.947 20 0 EHADRM COc1cc(F)c(Nc2cc(S(=O)(=O)[O-])ccc2Cl)c(F)c1 ZINC001175725451 1132744821 /nfs/dbraw/zinc/74/48/21/1132744821.db2.gz FBVUENVLQJYWTE-UHFFFAOYSA-N -1 0 349.742 3.617 20 0 EHADRM O=S(=O)([O-])c1ccc(Cl)c(Nc2ccc3ccncc3c2)c1 ZINC001175708419 1132754319 /nfs/dbraw/zinc/75/43/19/1132754319.db2.gz PXTFOEQYPIFKQZ-UHFFFAOYSA-N -1 0 334.784 3.879 20 0 EHADRM O=C([O-])c1cncc(Nc2cnc3cccc(Br)c3c2)c1 ZINC001175839797 1132772451 /nfs/dbraw/zinc/77/24/51/1132772451.db2.gz CCFLOERTVKYRJJ-UHFFFAOYSA-N -1 0 344.168 3.834 20 0 EHADRM Cc1c(Br)cnc(Cl)c1Nc1cncc(C(=O)[O-])c1 ZINC001175840626 1132772756 /nfs/dbraw/zinc/77/27/56/1132772756.db2.gz PSASRSCUGQBUII-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM O=S(=O)([O-])c1cc(Cl)ccc1Nc1ccc(Cl)c(O)c1 ZINC001212593230 1132808833 /nfs/dbraw/zinc/80/88/33/1132808833.db2.gz GUZCCZZGKYVLGJ-UHFFFAOYSA-N -1 0 334.180 3.689 20 0 EHADRM CCN(CC)C(=O)c1ccc(F)c([N-]c2nnc(-c3ccco3)o2)c1 ZINC001176071670 1132828632 /nfs/dbraw/zinc/82/86/32/1132828632.db2.gz TVOVDJXIRGASDR-UHFFFAOYSA-N -1 0 344.346 3.694 20 0 EHADRM COc1ccc(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)cc1O ZINC001176259990 1132897238 /nfs/dbraw/zinc/89/72/38/1132897238.db2.gz YPOPDSKDLBOYJU-UHFFFAOYSA-N -1 0 345.376 3.544 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N(CCC(=O)[O-])CC1CC1 ZINC000766913452 1132913379 /nfs/dbraw/zinc/91/33/79/1132913379.db2.gz MUCYFTIXRGAITH-UHFFFAOYSA-N -1 0 347.436 3.623 20 0 EHADRM COC(=O)c1cccc2c(Nc3csc(C(=O)[O-])c3)ccnc12 ZINC001176437015 1132929211 /nfs/dbraw/zinc/92/92/11/1132929211.db2.gz RFKISAZTWJBUBT-UHFFFAOYSA-N -1 0 328.349 3.525 20 0 EHADRM CC(C)(C)[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000767020265 1132931517 /nfs/dbraw/zinc/93/15/17/1132931517.db2.gz MQPDITXUDVJUBI-GBIKHYSHSA-N -1 0 344.238 3.712 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000767092350 1132947949 /nfs/dbraw/zinc/94/79/49/1132947949.db2.gz RBDIQRZJIOUYCZ-GXJZLWQJSA-N -1 0 327.355 3.741 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3cc(=O)[nH]n3C3CCCC3)cc2)CC1 ZINC001176582867 1132959701 /nfs/dbraw/zinc/95/97/01/1132959701.db2.gz QNDUPLZCFRTSHJ-UHFFFAOYSA-N -1 0 327.384 3.564 20 0 EHADRM COc1cc(Nc2ccc(/C=C/C(=O)[O-])cc2)cnc1Br ZINC001176588928 1132961409 /nfs/dbraw/zinc/96/14/09/1132961409.db2.gz KCHJNBANELSXMG-QPJJXVBHSA-N -1 0 349.184 3.694 20 0 EHADRM CCOC(=O)c1ccccc1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176588936 1132961652 /nfs/dbraw/zinc/96/16/52/1132961652.db2.gz RAMQEMGGQZCQIJ-UHFFFAOYSA-N -1 0 325.364 3.723 20 0 EHADRM COC(=O)c1ccc(F)c(F)c1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176595038 1132963190 /nfs/dbraw/zinc/96/31/90/1132963190.db2.gz FWAZJRJTYOSUSY-RUDMXATFSA-N -1 0 333.290 3.593 20 0 EHADRM COC(=O)c1ccc(Nc2ccc(C=CC(=O)[O-])cc2)c(C(C)=O)c1 ZINC001176595274 1132964105 /nfs/dbraw/zinc/96/41/05/1132964105.db2.gz HQTNCEXZRCMDDI-BJMVGYQFSA-N -1 0 339.347 3.517 20 0 EHADRM CC(C)(C)OC(=O)c1ccc(Nc2ccc(C(=O)[O-])cc2)cc1O ZINC001176713745 1132994988 /nfs/dbraw/zinc/99/49/88/1132994988.db2.gz OIOCQHZQGXBYRO-UHFFFAOYSA-N -1 0 329.352 3.789 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)/C=C\C1CCCCC1 ZINC000767566295 1133020225 /nfs/dbraw/zinc/02/02/25/1133020225.db2.gz BRXPNKXEPDZAKQ-KHPPLWFESA-N -1 0 341.860 3.590 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)/C=C/C1CCCCC1 ZINC000767566296 1133020432 /nfs/dbraw/zinc/02/04/32/1133020432.db2.gz BRXPNKXEPDZAKQ-ZHACJKMWSA-N -1 0 341.860 3.590 20 0 EHADRM Cc1[nH]c(=S)sc1CC(=O)Nc1c(Cl)ccc([O-])c1Cl ZINC001177600154 1133085041 /nfs/dbraw/zinc/08/50/41/1133085041.db2.gz AGQSLWMDFOFOIK-UHFFFAOYSA-N -1 0 349.264 3.934 20 0 EHADRM CC(C)(C)Oc1cccc(COC(=O)c2c(F)cc([O-])cc2F)n1 ZINC000768557296 1133155418 /nfs/dbraw/zinc/15/54/18/1133155418.db2.gz BMYHIHGYANHDTF-UHFFFAOYSA-N -1 0 337.322 3.600 20 0 EHADRM O=C([N-]CCCSc1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000768553707 1133155546 /nfs/dbraw/zinc/15/55/46/1133155546.db2.gz QZAMWPSDFLRYEH-UHFFFAOYSA-N -1 0 331.281 3.866 20 0 EHADRM CC(=O)c1cc(F)c([O-])c(NC(=O)c2cnc3c(F)cccc3c2)c1 ZINC001178433198 1133163513 /nfs/dbraw/zinc/16/35/13/1133163513.db2.gz NLIWSMKVDPGFEC-UHFFFAOYSA-N -1 0 342.301 3.674 20 0 EHADRM CC(=O)Nc1ccc(Cl)cc1NC(=O)c1c([O-])cccc1Cl ZINC000769743457 1133342117 /nfs/dbraw/zinc/34/21/17/1133342117.db2.gz YRUYHCXROHBYMM-UHFFFAOYSA-N -1 0 339.178 3.910 20 0 EHADRM O=C([O-])C1(C(=O)NC2(c3cccc4ccccc43)CC2)CCCCC1 ZINC001180439735 1133371032 /nfs/dbraw/zinc/37/10/32/1133371032.db2.gz IKTXKNOQAGNSKL-UHFFFAOYSA-N -1 0 337.419 3.980 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@H](C)[C@@H](O)c2ccc(F)cc2)c(O)c1 ZINC000770039199 1133381111 /nfs/dbraw/zinc/38/11/11/1133381111.db2.gz PEIXDFWVPXIHLM-KZULUSFZSA-N -1 0 331.387 3.507 20 0 EHADRM O=C(Cc1ccc(O)cc1F)Nc1ccc2[n-]c(=S)sc2c1 ZINC001180651072 1133402842 /nfs/dbraw/zinc/40/28/42/1133402842.db2.gz WBHFBIHVYXPGQH-UHFFFAOYSA-N -1 0 334.397 3.611 20 0 EHADRM CC(C)[C@H](CNC(=O)OC(C)(C)C)C(=O)Nc1ccccc1[S-] ZINC001181234807 1133472748 /nfs/dbraw/zinc/47/27/48/1133472748.db2.gz SODIYEKURVLXOA-LBPRGKRZSA-N -1 0 338.473 3.711 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)nc2)c1 ZINC000771137376 1133516728 /nfs/dbraw/zinc/51/67/28/1133516728.db2.gz YRXADRLPJJDEKO-UHFFFAOYSA-N -1 0 344.408 3.760 20 0 EHADRM [O-]c1c(Cl)cccc1-c1nc(-c2cnn(-c3ccccc3)c2)no1 ZINC000771189796 1133523148 /nfs/dbraw/zinc/52/31/48/1133523148.db2.gz QAALUKMKXGKQDX-UHFFFAOYSA-N -1 0 338.754 3.948 20 0 EHADRM CCc1cc(CNC(=O)C(F)(F)c2cc(Cl)ccc2Cl)[nH]n1 ZINC000817533109 1133532338 /nfs/dbraw/zinc/53/23/38/1133532338.db2.gz LUERYQXSGAYURF-UHFFFAOYSA-N -1 0 348.180 3.687 20 0 EHADRM Cc1c2ccccc2oc(=O)c1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000771503724 1133567366 /nfs/dbraw/zinc/56/73/66/1133567366.db2.gz HUMOFKUYPOOSIJ-UHFFFAOYSA-N -1 0 347.729 3.852 20 0 EHADRM Cc1nc2ccc(Cl)cn2c1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000785552556 1133721444 /nfs/dbraw/zinc/72/14/44/1133721444.db2.gz VVXKYGYMPKNANL-UHFFFAOYSA-N -1 0 349.843 3.714 20 0 EHADRM Cc1cc(=NC(=O)c2cc(Oc3ccccc3)ccc2[O-])cc(C)[nH]1 ZINC001182911898 1133749000 /nfs/dbraw/zinc/74/90/00/1133749000.db2.gz YHEBWMPYIMBLMP-UHFFFAOYSA-N -1 0 334.375 3.871 20 0 EHADRM C[C@@](O)(C(=O)Nc1c(Cl)ccc([O-])c1Cl)c1ccccc1 ZINC001182931168 1133753007 /nfs/dbraw/zinc/75/30/07/1133753007.db2.gz BFIYHAHZQBRORM-HNNXBMFYSA-N -1 0 326.179 3.545 20 0 EHADRM CCOC(=O)c1c(C)csc1NC(=O)Cc1ccc([S-])cc1 ZINC001183186278 1133776447 /nfs/dbraw/zinc/77/64/47/1133776447.db2.gz LLLCZUVSANRCSB-UHFFFAOYSA-N -1 0 335.450 3.703 20 0 EHADRM CC[C@@H]1C[C@H]1CNC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC001183459329 1133809669 /nfs/dbraw/zinc/80/96/69/1133809669.db2.gz CVYGPISOSOALDX-SFYZADRCSA-N -1 0 332.625 3.584 20 0 EHADRM Cc1c(Cl)cc(NC(=O)[C@@H]2C[C@@]23CCCOC3)c([O-])c1Cl ZINC001183726016 1133846652 /nfs/dbraw/zinc/84/66/52/1133846652.db2.gz WQVCOURFRJARIJ-BJOHPYRUSA-N -1 0 330.211 3.763 20 0 EHADRM CC(C)[C@H]([N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1)C(F)(F)F ZINC000786891958 1133916631 /nfs/dbraw/zinc/91/66/31/1133916631.db2.gz SPKLGZGXAHCANC-GUOLPTJISA-N -1 0 341.782 3.817 20 0 EHADRM C[C@]12CN(C(=O)c3c([O-])cc(Cl)cc3Cl)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001184384517 1133933814 /nfs/dbraw/zinc/93/38/14/1133933814.db2.gz ZSTXCICJEPJERV-DKQCNTTFSA-N -1 0 338.234 3.983 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2cccc(C(C)(C)C)c2)cc1C(=O)[O-] ZINC001184695909 1133976040 /nfs/dbraw/zinc/97/60/40/1133976040.db2.gz NQJXVKOCXVPAFH-UHFFFAOYSA-N -1 0 347.436 3.792 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000788090730 1134078766 /nfs/dbraw/zinc/07/87/66/1134078766.db2.gz NYWNQDSBZWPYNE-UHFFFAOYSA-N -1 0 327.167 3.889 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2cc3ccccc3s2)cc1 ZINC001185421439 1134082371 /nfs/dbraw/zinc/08/23/71/1134082371.db2.gz RMZSRNKZMKQXEK-UHFFFAOYSA-N -1 0 331.418 3.905 20 0 EHADRM Cc1cn2c(cccc2[N-]S(=O)(=O)c2cc3ccccc3s2)n1 ZINC001185421951 1134082620 /nfs/dbraw/zinc/08/26/20/1134082620.db2.gz YDGRQNIHTBHNDW-UHFFFAOYSA-N -1 0 343.433 3.658 20 0 EHADRM O=S(=O)([N-]c1ccc2nsnc2c1)c1cc2ccccc2s1 ZINC001185421990 1134083006 /nfs/dbraw/zinc/08/30/06/1134083006.db2.gz ZOTNZSDCCUIIEV-UHFFFAOYSA-N -1 0 347.446 3.707 20 0 EHADRM CC1(C)OCCC12CCN(C(=O)C=C([O-])c1ccccc1Cl)CC2 ZINC001185436293 1134086519 /nfs/dbraw/zinc/08/65/19/1134086519.db2.gz QNWGDMRSXUAUMQ-UHFFFAOYSA-N -1 0 349.858 3.721 20 0 EHADRM COC1CCC(CCNC(=O)C=C([O-])c2ccccc2Cl)CC1 ZINC001185444015 1134086821 /nfs/dbraw/zinc/08/68/21/1134086821.db2.gz KOXPXAYCOUJRPP-UHFFFAOYSA-N -1 0 337.847 3.624 20 0 EHADRM O=C(NCc1ccc(F)cc1)Nc1c(Cl)c(F)[n-]c(=O)c1Cl ZINC001185441799 1134087053 /nfs/dbraw/zinc/08/70/53/1134087053.db2.gz WYAUATODCRWIMZ-UHFFFAOYSA-N -1 0 348.136 3.694 20 0 EHADRM C[C@H](NC(=O)C=C([O-])c1ccccc1Cl)c1cccc(N(C)C)c1 ZINC001185444139 1134087259 /nfs/dbraw/zinc/08/72/59/1134087259.db2.gz PESLLIUISVPMQE-ZDUSSCGKSA-N -1 0 344.842 3.856 20 0 EHADRM COc1ccc(OC)c([N-]S(=O)(=O)c2cc3ccccc3s2)c1 ZINC001185454611 1134090302 /nfs/dbraw/zinc/09/03/02/1134090302.db2.gz QGBHRCGFHSVNQZ-UHFFFAOYSA-N -1 0 349.433 3.719 20 0 EHADRM O=S(=O)([N-]c1ccc(F)c(F)c1O)c1cc2ccccc2s1 ZINC001185463656 1134093034 /nfs/dbraw/zinc/09/30/34/1134093034.db2.gz AVDSLDIYNJCLMS-UHFFFAOYSA-N -1 0 341.360 3.686 20 0 EHADRM Cc1ccc(CO)c([N-]S(=O)(=O)c2cc3ccccc3s2)c1 ZINC001185463786 1134093070 /nfs/dbraw/zinc/09/30/70/1134093070.db2.gz DNEJVWIJCSHVAM-UHFFFAOYSA-N -1 0 333.434 3.503 20 0 EHADRM O=C([O-])/C=C\c1cnc(/C=C\c2ncc(C(F)(F)F)s2)s1 ZINC000788353696 1134114869 /nfs/dbraw/zinc/11/48/69/1134114869.db2.gz BEPZVMLNFKRGPS-QEFWFIIXSA-N -1 0 332.328 3.887 20 0 EHADRM O=S(=O)([N-]c1ccnc(-c2ccccc2)c1)c1ccc(Cl)nc1 ZINC001185649657 1134117199 /nfs/dbraw/zinc/11/71/99/1134117199.db2.gz CLUVVUWGBHBMTP-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM CCCCOc1cc([N-]S(=O)(=O)c2cccc(F)c2C)ccn1 ZINC001185797024 1134134744 /nfs/dbraw/zinc/13/47/44/1134134744.db2.gz ZYDHWMOJRBBRLF-UHFFFAOYSA-N -1 0 338.404 3.509 20 0 EHADRM O=C(Nc1nccnc1OCc1ccccc1)c1cccc([S-])c1 ZINC001186130158 1134172433 /nfs/dbraw/zinc/17/24/33/1134172433.db2.gz FMPKIWPQDUBSNI-UHFFFAOYSA-N -1 0 337.404 3.597 20 0 EHADRM Cc1ccc([C@]2(C)CN(C(=O)c3cccc([S-])c3)CCO2)cc1 ZINC001186149039 1134175555 /nfs/dbraw/zinc/17/55/55/1134175555.db2.gz LXYLROSSRBBYDV-IBGZPJMESA-N -1 0 327.449 3.672 20 0 EHADRM Cc1c(Br)ccc(N)c1NC(=O)c1cccc([S-])c1 ZINC001186152827 1134176535 /nfs/dbraw/zinc/17/65/35/1134176535.db2.gz QJXLMNUXIBQQLH-UHFFFAOYSA-N -1 0 337.242 3.881 20 0 EHADRM Cc1cc(C)n(-c2ccc(CNC(=O)c3cccc([S-])c3)cc2)n1 ZINC001186157140 1134176892 /nfs/dbraw/zinc/17/68/92/1134176892.db2.gz VRANMYSDHMQJOM-UHFFFAOYSA-N -1 0 337.448 3.708 20 0 EHADRM CC1(C)Cc2c(NC(=O)c3cccc([S-])c3)cccc2NC1=O ZINC001186156858 1134177229 /nfs/dbraw/zinc/17/72/29/1134177229.db2.gz UIXHITSYVGWKRJ-UHFFFAOYSA-N -1 0 326.421 3.748 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2)sc1Cl ZINC000788843431 1134181170 /nfs/dbraw/zinc/18/11/70/1134181170.db2.gz RGMLIMVAQMELGS-UHFFFAOYSA-N -1 0 330.862 3.577 20 0 EHADRM O=C(Nc1n[nH]c2c1cccc2Cl)c1ccc2[n-]c(=S)oc2c1 ZINC000772730802 1134223894 /nfs/dbraw/zinc/22/38/94/1134223894.db2.gz YDTLVGQNZMGGBK-UHFFFAOYSA-N -1 0 344.783 3.899 20 0 EHADRM O=C(N[C@H]1CCc2c1c(F)ccc2F)c1cc(F)c(F)c([O-])c1F ZINC001186800856 1134254600 /nfs/dbraw/zinc/25/46/00/1134254600.db2.gz ANSDBJLFVGXKQI-NSHDSACASA-N -1 0 343.251 3.505 20 0 EHADRM C[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1cc(F)cc(F)c1 ZINC001186798754 1134258858 /nfs/dbraw/zinc/25/88/58/1134258858.db2.gz RXLVKTNLWAWJOR-ZCFIWIBFSA-N -1 0 331.240 3.579 20 0 EHADRM COc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccco3)cc2)cc1 ZINC001186857673 1134269309 /nfs/dbraw/zinc/26/93/09/1134269309.db2.gz WAECWNHWDFIWIK-UHFFFAOYSA-N -1 0 345.376 3.881 20 0 EHADRM CCc1nccc(C)c1[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187188933 1134307088 /nfs/dbraw/zinc/30/70/88/1134307088.db2.gz MVMCPWLZDIOQPA-UHFFFAOYSA-N -1 0 336.482 3.694 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cc1O)c1cc2c(s1)CCCC2 ZINC001187209374 1134314624 /nfs/dbraw/zinc/31/46/24/1134314624.db2.gz LBHZNHNKZFAKED-UHFFFAOYSA-N -1 0 343.857 3.787 20 0 EHADRM CC(=O)c1ccc(C)cc1[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187215254 1134315485 /nfs/dbraw/zinc/31/54/85/1134315485.db2.gz NDMGHJGSXYSQPP-UHFFFAOYSA-N -1 0 349.477 3.939 20 0 EHADRM CC(=O)c1ccccc1[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187210761 1134315612 /nfs/dbraw/zinc/31/56/12/1134315612.db2.gz ZSHWRYKVFPTTEZ-UHFFFAOYSA-N -1 0 335.450 3.630 20 0 EHADRM Cc1oncc1S(=O)(=O)[N-]c1ccc(Oc2ccc(F)cc2)cc1 ZINC001187369393 1134328003 /nfs/dbraw/zinc/32/80/03/1134328003.db2.gz VETBLPIASSVWEY-UHFFFAOYSA-N -1 0 348.355 3.715 20 0 EHADRM CC(C)(O)c1cccc(NC(=O)c2ccc3[n-]c(=S)oc3c2)c1 ZINC000789930016 1134345713 /nfs/dbraw/zinc/34/57/13/1134345713.db2.gz NACVNMIEIQEXCU-UHFFFAOYSA-N -1 0 328.393 3.596 20 0 EHADRM Cc1cc(C)cc(-n2ncc(CNc3ccc(C)c(C(=O)[O-])c3)n2)c1 ZINC000789902929 1134347741 /nfs/dbraw/zinc/34/77/41/1134347741.db2.gz SIFKLJYEMXJVHK-UHFFFAOYSA-N -1 0 336.395 3.503 20 0 EHADRM Cc1c(C(=O)Nc2ccc3[n-]c(=S)oc3c2)cnn1C1CCCC1 ZINC000155673783 1134361760 /nfs/dbraw/zinc/36/17/60/1134361760.db2.gz TVZFUWLDFQSGMB-UHFFFAOYSA-N -1 0 342.424 3.989 20 0 EHADRM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc([O-])c(Cl)c1 ZINC000075536269 1134368806 /nfs/dbraw/zinc/36/88/06/1134368806.db2.gz JPHPZMHOTNMXSS-NVXWUHKLSA-N -1 0 340.810 3.958 20 0 EHADRM COc1ccc(-c2ccc([N-]S(=O)(=O)c3nccs3)cc2)cc1 ZINC001187894893 1134393635 /nfs/dbraw/zinc/39/36/35/1134393635.db2.gz RJPIWTBKVDJYBV-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM COc1ccccc1-c1cccc([N-]S(=O)(=O)c2nccs2)c1 ZINC001187891224 1134399771 /nfs/dbraw/zinc/39/97/71/1134399771.db2.gz JQDNPPADVFBQFI-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM COc1ccc(Cl)cc1NC(=O)Nc1ccc(F)c(F)c1[O-] ZINC001187929785 1134401806 /nfs/dbraw/zinc/40/18/06/1134401806.db2.gz WQZAYMSMQBVLIG-UHFFFAOYSA-N -1 0 328.702 3.976 20 0 EHADRM CSc1cccc(NC(=O)Nc2cc3ccc(O)cc3oc2=O)c1 ZINC001188024494 1134418681 /nfs/dbraw/zinc/41/86/81/1134418681.db2.gz YXFONTJJTINVRC-UHFFFAOYSA-N -1 0 342.376 3.865 20 0 EHADRM CCn1cc([N-]S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)cn1 ZINC001188423498 1134461768 /nfs/dbraw/zinc/46/17/68/1134461768.db2.gz HCKWSOKOOUFRAB-UHFFFAOYSA-N -1 0 345.399 3.510 20 0 EHADRM COc1cc2c(cc1NC(=O)c1ccncc1[O-])oc1ccccc12 ZINC001188636427 1134492453 /nfs/dbraw/zinc/49/24/53/1134492453.db2.gz HQZGMNOSLCCTJG-UHFFFAOYSA-N -1 0 334.331 3.948 20 0 EHADRM O=S(=O)([N-]c1cccs1)c1ccc(Oc2cccnc2)cc1 ZINC001188857544 1134518097 /nfs/dbraw/zinc/51/80/97/1134518097.db2.gz HBMSWHHBBVJJOY-UHFFFAOYSA-N -1 0 332.406 3.736 20 0 EHADRM O=C(Nc1cnccc1-c1ccccc1)c1n[n-]c2ccccc2c1=O ZINC000791231062 1134519109 /nfs/dbraw/zinc/51/91/09/1134519109.db2.gz YJUHEZHSEJIAOK-UHFFFAOYSA-N -1 0 342.358 3.650 20 0 EHADRM CC(C)[C@@H]1CCc2ccccc2[C@H]1NS(=O)(=O)c1ccccc1[O-] ZINC001189019360 1134533892 /nfs/dbraw/zinc/53/38/92/1134533892.db2.gz GRJIEQOQMULFEJ-KXBFYZLASA-N -1 0 345.464 3.630 20 0 EHADRM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc3sccc32)c1 ZINC001189236351 1134554835 /nfs/dbraw/zinc/55/48/35/1134554835.db2.gz YVBUBBZEYUVVKX-UHFFFAOYSA-N -1 0 331.418 3.905 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3ccoc32)c1 ZINC001189609467 1134606067 /nfs/dbraw/zinc/60/60/67/1134606067.db2.gz NGYIISZHHWBKCR-UHFFFAOYSA-N -1 0 337.784 3.896 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)C[C@H]2CCCCC2(C)C)sc1C ZINC000775297225 1134619724 /nfs/dbraw/zinc/61/97/24/1134619724.db2.gz PWGVGEAYCPFHLB-CYBMUJFWSA-N -1 0 343.514 3.776 20 0 EHADRM CCCC[C@H](CC)CC(=O)[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000791962804 1134638555 /nfs/dbraw/zinc/63/85/55/1134638555.db2.gz OPGBBCYJNBLTDN-AWEZNQCLSA-N -1 0 348.468 3.646 20 0 EHADRM COc1cccc2c1OCC[C@@H]2NC(=O)c1cc(O)c2ccccc2c1 ZINC000792123395 1134660302 /nfs/dbraw/zinc/66/03/02/1134660302.db2.gz NUCNCDGPTQPJLZ-KRWDZBQOSA-N -1 0 349.386 3.808 20 0 EHADRM COc1cc(Cl)ccc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000775359232 1134664629 /nfs/dbraw/zinc/66/46/29/1134664629.db2.gz ZCJUHGVMPMGTAG-UHFFFAOYSA-N -1 0 331.677 3.724 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)ccc1Cl ZINC001190387947 1134689384 /nfs/dbraw/zinc/68/93/84/1134689384.db2.gz PLZDJAPIWCHKND-UHFFFAOYSA-N -1 0 335.734 3.867 20 0 EHADRM COC(=O)c1cc(C)c(Nc2cc(F)c(C(=O)[O-])c(F)c2)cc1C ZINC001203332169 1134757637 /nfs/dbraw/zinc/75/76/37/1134757637.db2.gz LCABEZUFDNOJCS-UHFFFAOYSA-N -1 0 335.306 3.810 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cc1C(F)(F)F)c1ccncc1 ZINC001190886938 1134763038 /nfs/dbraw/zinc/76/30/38/1134763038.db2.gz GWFKIDVCNMLAGR-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cc(Cl)ncc2O)cc1 ZINC001191232079 1134832111 /nfs/dbraw/zinc/83/21/11/1134832111.db2.gz CSHGLTKBQQOHKZ-UHFFFAOYSA-N -1 0 340.832 3.584 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cc(F)nc(F)c2)cc1 ZINC001191234102 1134832275 /nfs/dbraw/zinc/83/22/75/1134832275.db2.gz YSUMBCNAADUTJD-UHFFFAOYSA-N -1 0 326.368 3.503 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2c(OC)cccc2OC)cc1 ZINC001191249417 1134836456 /nfs/dbraw/zinc/83/64/56/1134836456.db2.gz UEZQWCXNRPNJJG-UHFFFAOYSA-N -1 0 349.452 3.847 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cccc3c2OCC3)cc1 ZINC001191249191 1134836929 /nfs/dbraw/zinc/83/69/29/1134836929.db2.gz PXSVLIPZTMKFFO-UHFFFAOYSA-N -1 0 331.437 3.765 20 0 EHADRM Cc1c(F)ccc(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1Cl ZINC001191379171 1134853107 /nfs/dbraw/zinc/85/31/07/1134853107.db2.gz IFDNOCGUYUBQDJ-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM CC(C)c1ccoc1C(=O)[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000793177737 1134869153 /nfs/dbraw/zinc/86/91/53/1134869153.db2.gz JSHXUBXPDSXQBJ-UHFFFAOYSA-N -1 0 335.425 3.645 20 0 EHADRM Cc1ccncc1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1Cl ZINC001191722337 1134904601 /nfs/dbraw/zinc/90/46/01/1134904601.db2.gz LBCHATNRCMJVRZ-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc([C@H](C)O)cc1 ZINC001191696224 1134908663 /nfs/dbraw/zinc/90/86/63/1134908663.db2.gz DMAIFYAYKLHAGX-ZDUSSCGKSA-N -1 0 349.452 3.673 20 0 EHADRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccccc1[C@H](C)O ZINC001191701452 1134909941 /nfs/dbraw/zinc/90/99/41/1134909941.db2.gz JHWXVTWOHGNNCW-ZDUSSCGKSA-N -1 0 349.452 3.673 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1nccc2ccccc21 ZINC001191780337 1134921058 /nfs/dbraw/zinc/92/10/58/1134921058.db2.gz OSQADNSLNDATSU-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cnc2ccsc2c1 ZINC001191788311 1134922888 /nfs/dbraw/zinc/92/28/88/1134922888.db2.gz QJFGLHAYIBNWEX-UHFFFAOYSA-N -1 0 348.449 3.804 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cncc(C(C)(C)C)c1 ZINC001191793346 1134924209 /nfs/dbraw/zinc/92/42/09/1134924209.db2.gz SCGHCQPNHBEJQQ-UHFFFAOYSA-N -1 0 348.468 3.887 20 0 EHADRM O=S(=O)(Cc1ccc(Cl)cc1F)Nc1cc(F)ccc1F ZINC001191856952 1134928172 /nfs/dbraw/zinc/92/81/72/1134928172.db2.gz TZTOEUWPAMFHLX-UHFFFAOYSA-N -1 0 335.734 3.699 20 0 EHADRM Cc1nn(C)cc1[N-]S(=O)(=O)c1ccc(-c2ccc(C)cc2)cc1 ZINC001192062857 1134963393 /nfs/dbraw/zinc/96/33/93/1134963393.db2.gz CKIQRQZNPPJLQB-UHFFFAOYSA-N -1 0 341.436 3.505 20 0 EHADRM COC(=O)[C@@H]1C[C@@H]1c1ccc(C(=O)Nc2ccccc2[S-])cc1 ZINC001192191113 1134976734 /nfs/dbraw/zinc/97/67/34/1134976734.db2.gz SSSBFRTWUNPRTD-ZIAGYGMSSA-N -1 0 327.405 3.504 20 0 EHADRM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1cncc(C2CCC2)c1 ZINC001192320503 1134997859 /nfs/dbraw/zinc/99/78/59/1134997859.db2.gz BBONREXYRGCBOO-UHFFFAOYSA-N -1 0 337.832 3.507 20 0 EHADRM CC(C)CCO[C@@H](C)C(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000747150396 1135000213 /nfs/dbraw/zinc/00/02/13/1135000213.db2.gz RSMDTLLMUMGYOS-LBPRGKRZSA-N -1 0 333.350 3.704 20 0 EHADRM COC(=O)c1ccc([O-])c(C(=O)N(C(C)C)[C@@H](C)c2ccccc2)c1 ZINC001192386787 1135009812 /nfs/dbraw/zinc/00/98/12/1135009812.db2.gz OYDXMPDWBBSLCV-AWEZNQCLSA-N -1 0 341.407 3.791 20 0 EHADRM Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1c([O-])cccc1Cl ZINC000794211106 1135033416 /nfs/dbraw/zinc/03/34/16/1135033416.db2.gz AHQQOORKWCGTDH-UHFFFAOYSA-N -1 0 327.771 3.996 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2c(C)cc(F)cc2C)cnc1Cl ZINC001192576878 1135033830 /nfs/dbraw/zinc/03/38/30/1135033830.db2.gz ZWTFDJVFFPZQLN-UHFFFAOYSA-N -1 0 328.796 3.600 20 0 EHADRM O=C(Nc1ccc(N2CCOCC2)c(F)c1)Nc1ccccc1[S-] ZINC001192670796 1135043708 /nfs/dbraw/zinc/04/37/08/1135043708.db2.gz UUQQLVIDRFYMCZ-UHFFFAOYSA-N -1 0 347.415 3.595 20 0 EHADRM O=C(Nc1cnnc2ccc(Cl)cc21)c1c([O-])ccc(F)c1F ZINC001192730451 1135048595 /nfs/dbraw/zinc/04/85/95/1135048595.db2.gz UICUKCMCTAOJBC-UHFFFAOYSA-N -1 0 335.697 3.519 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2c(C)ccnc2C(C)C)c1 ZINC001192774334 1135053335 /nfs/dbraw/zinc/05/33/35/1135053335.db2.gz STRHCQKCIKXSCS-UHFFFAOYSA-N -1 0 348.468 3.885 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccnc(C3CCC3)c2)c1 ZINC001192774979 1135053736 /nfs/dbraw/zinc/05/37/36/1135053736.db2.gz GDHXIGUUVXRUNP-UHFFFAOYSA-N -1 0 346.452 3.721 20 0 EHADRM CCC[C@@H](C(=O)c1ccccc1)N(C)C(=O)c1ccc(F)c(F)c1[O-] ZINC001192806784 1135057443 /nfs/dbraw/zinc/05/74/43/1135057443.db2.gz LECUDLNWLYSDGQ-HNNXBMFYSA-N -1 0 347.361 3.794 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)c1 ZINC001192816144 1135057817 /nfs/dbraw/zinc/05/78/17/1135057817.db2.gz KGQUZFLWZHIQBB-UHFFFAOYSA-N -1 0 331.437 3.936 20 0 EHADRM COc1ccc(CNC(=O)c2ccc(F)c(F)c2[O-])c2ccccc12 ZINC001192817602 1135058725 /nfs/dbraw/zinc/05/87/25/1135058725.db2.gz GYLAVTKFSCRZCF-UHFFFAOYSA-N -1 0 343.329 3.762 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C)c(C)cc2C)c1 ZINC001192816903 1135059156 /nfs/dbraw/zinc/05/91/56/1135059156.db2.gz ZHWXUSHWVYZAPH-UHFFFAOYSA-N -1 0 333.453 3.984 20 0 EHADRM COc1cc(C(F)(F)F)ccc1NC(=O)c1ccc([O-])c(F)c1F ZINC001192839054 1135062994 /nfs/dbraw/zinc/06/29/94/1135062994.db2.gz AUQIHURTRRTEDJ-UHFFFAOYSA-N -1 0 347.239 3.950 20 0 EHADRM COC(=O)c1c(F)ccc(SC)c1-c1ccsc1C(=O)[O-] ZINC001205614247 1135067975 /nfs/dbraw/zinc/06/79/75/1135067975.db2.gz LBADKDQOMXBSCD-UHFFFAOYSA-N -1 0 326.370 3.761 20 0 EHADRM O=C(Nc1ccc(-n2ccnc2)cc1)c1cc(Cl)nc(Cl)c1[O-] ZINC001193083943 1135097611 /nfs/dbraw/zinc/09/76/11/1135097611.db2.gz GPKNVSROPJGRSP-UHFFFAOYSA-N -1 0 349.177 3.532 20 0 EHADRM CCCC[C@H](C)NC(=O)Nc1cc(Cl)c(C)cc1S(=O)(=O)[O-] ZINC001193060449 1135100881 /nfs/dbraw/zinc/10/08/81/1135100881.db2.gz IPLVFQSJAVKTCI-JTQLQIEISA-N -1 0 348.852 3.595 20 0 EHADRM O=C(Nc1ccc2ccccc2c1S(=O)(=O)[O-])OC1CCCC1 ZINC001193563263 1135152773 /nfs/dbraw/zinc/15/27/73/1135152773.db2.gz VBVMUHIFHABSNQ-UHFFFAOYSA-N -1 0 335.381 3.578 20 0 EHADRM COc1cc(NC(=O)c2cccc(Cl)c2[O-])c(Cl)c(OC)c1 ZINC001129778943 1135160207 /nfs/dbraw/zinc/16/02/07/1135160207.db2.gz DTUSCASMQOLGRA-UHFFFAOYSA-N -1 0 342.178 3.969 20 0 EHADRM CC(C)Oc1ccc(C(=O)Nc2cncc(O)c2)cc1C(F)(F)F ZINC001193709089 1135176455 /nfs/dbraw/zinc/17/64/55/1135176455.db2.gz IXZNOFLRXYDACM-UHFFFAOYSA-N -1 0 340.301 3.846 20 0 EHADRM CCCCCOC(=O)Nc1cc(Cl)c(C)cc1S(=O)(=O)[O-] ZINC001193770452 1135177149 /nfs/dbraw/zinc/17/71/49/1135177149.db2.gz XKPXURBMJNNLEN-UHFFFAOYSA-N -1 0 335.809 3.634 20 0 EHADRM CCN(C(=O)c1ccc(F)c([O-])c1F)[C@@H](C)Cc1ccc(OC)cc1 ZINC001193771138 1135178345 /nfs/dbraw/zinc/17/83/45/1135178345.db2.gz WVWXQHXENAOCJN-LBPRGKRZSA-N -1 0 349.377 3.772 20 0 EHADRM CCCCCOC(=O)Nc1ccc(S(=O)(=O)[O-])c2ccccc12 ZINC001193769390 1135184715 /nfs/dbraw/zinc/18/47/15/1135184715.db2.gz HVHUJHGGWMYUGY-UHFFFAOYSA-N -1 0 337.397 3.825 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnn(C(C)(C)C)c2)c2ccccc12 ZINC001193833643 1135190962 /nfs/dbraw/zinc/19/09/62/1135190962.db2.gz PMUNIBPQRQBPSP-UHFFFAOYSA-N -1 0 343.452 3.901 20 0 EHADRM COc1cccc(SC)c1NC(=O)c1nccc2cccnc21 ZINC001129982027 1135211068 /nfs/dbraw/zinc/21/10/68/1135211068.db2.gz UGTJNOJOSIOBMC-UHFFFAOYSA-N -1 0 325.393 3.613 20 0 EHADRM Cc1cc(=O)oc2cc(N(C)C(=O)c3cccc(Cl)c3[O-])ccc12 ZINC000805351258 1135262645 /nfs/dbraw/zinc/26/26/45/1135262645.db2.gz VRKIKIZTQOGOPT-UHFFFAOYSA-N -1 0 343.766 3.737 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cccc3c(Cl)nccc32)c(C)n1 ZINC001194447872 1135274834 /nfs/dbraw/zinc/27/48/34/1135274834.db2.gz ZCADVNNYNALODD-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM C[C@@H](c1ccccc1)n1cc(NC(=O)c2cccc(F)c2[O-])cn1 ZINC001130222621 1135280386 /nfs/dbraw/zinc/28/03/86/1135280386.db2.gz KKDUHMXNQGJVHD-LBPRGKRZSA-N -1 0 325.343 3.589 20 0 EHADRM Cc1cc(C)cc([N-]S(=O)(=O)c2ncccc2C(F)(F)F)c1 ZINC001194524518 1135281305 /nfs/dbraw/zinc/28/13/05/1135281305.db2.gz RVUPZFZOMBDDNQ-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ncccc2C(F)(F)F)cc(C)c1F ZINC001194568598 1135286455 /nfs/dbraw/zinc/28/64/55/1135286455.db2.gz HVDGUIPFJMNXBS-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1cccnc1-c1ccccn1 ZINC001194615932 1135299888 /nfs/dbraw/zinc/29/98/88/1135299888.db2.gz MPFJDWYXGGGKQR-UHFFFAOYSA-N -1 0 339.420 3.561 20 0 EHADRM CCC(CC)COC(=O)Nc1cc(S(=O)(=O)[O-])ccc1Cl ZINC001194712922 1135311398 /nfs/dbraw/zinc/31/13/98/1135311398.db2.gz HRXBVKVQYFZPSY-UHFFFAOYSA-N -1 0 335.809 3.571 20 0 EHADRM O=C([O-])c1ccc(CO[C@@H]2Cc3cccc(Br)c3C2)cc1 ZINC001205680988 1135342784 /nfs/dbraw/zinc/34/27/84/1135342784.db2.gz OYSFAJCUWRZNMT-CQSZACIVSA-N -1 0 347.208 3.831 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)c1sc2cc(F)ccc2c1C ZINC000805881448 1135350924 /nfs/dbraw/zinc/35/09/24/1135350924.db2.gz AJPWEIFDOUMCDR-UHFFFAOYSA-N -1 0 343.445 3.597 20 0 EHADRM COc1cccc(OC)c1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC001195154414 1135382194 /nfs/dbraw/zinc/38/21/94/1135382194.db2.gz ZUBCUEOLSDUBTL-UHFFFAOYSA-N -1 0 335.425 3.628 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc3c2C(=O)CC3)c1 ZINC001195159337 1135384212 /nfs/dbraw/zinc/38/42/12/1135384212.db2.gz NUUNMPNSIHEHND-UHFFFAOYSA-N -1 0 329.421 3.740 20 0 EHADRM COc1ccccc1OC(=O)Nc1cc(Br)ccc1O ZINC001195261885 1135400961 /nfs/dbraw/zinc/40/09/61/1135400961.db2.gz LNOJSBJRUDQACZ-UHFFFAOYSA-N -1 0 338.157 3.774 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ncc(Cl)cc1F ZINC001195271233 1135402480 /nfs/dbraw/zinc/40/24/80/1135402480.db2.gz KHYPSCBBMMQSSZ-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2c(C)cccc2Cl)cc1F ZINC001195267922 1135402499 /nfs/dbraw/zinc/40/24/99/1135402499.db2.gz MFLAGSZUZVYJQY-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CCOC([O-])=NC(=S)N=c1cc[nH]c2cc(C(F)(F)F)ccc21 ZINC001195455552 1135425390 /nfs/dbraw/zinc/42/53/90/1135425390.db2.gz YVAZOHBBAPQJMU-UHFFFAOYSA-N -1 0 343.330 3.697 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1c[nH]nc1[C@H]1CCCO1 ZINC000867118203 1135425752 /nfs/dbraw/zinc/42/57/52/1135425752.db2.gz MSLHPTNFNYICAU-LLVKDONJSA-N -1 0 342.182 3.526 20 0 EHADRM COc1cc(C)c([C@H](C)NC(=O)c2cccc(Cl)c2[O-])cc1OC ZINC000775659978 1135432628 /nfs/dbraw/zinc/43/26/28/1135432628.db2.gz QNMAQYWFMYLGBU-NSHDSACASA-N -1 0 349.814 3.862 20 0 EHADRM CCOC(=O)NC(=S)Nc1cc(Cl)c(CC)c(Cl)c1[O-] ZINC001195490604 1135432697 /nfs/dbraw/zinc/43/26/97/1135432697.db2.gz JPCZKNAYBIWEOK-UHFFFAOYSA-N -1 0 337.228 3.704 20 0 EHADRM CCOC(=O)NC(=S)Nc1cccc(F)c1OC1CCCC1 ZINC001195492915 1135432730 /nfs/dbraw/zinc/43/27/30/1135432730.db2.gz QSMOCMLEXCIAKS-UHFFFAOYSA-N -1 0 326.393 3.590 20 0 EHADRM O=C(Nc1ccn(Cc2ccccc2)n1)c1cccc(Cl)c1[O-] ZINC000775664798 1135440063 /nfs/dbraw/zinc/44/00/63/1135440063.db2.gz VYAVYUWOBJCFRI-UHFFFAOYSA-N -1 0 327.771 3.543 20 0 EHADRM Cc1nc(F)ccc1/C=C/c1nc(C(=O)[O-])c(Br)s1 ZINC000806564985 1135461522 /nfs/dbraw/zinc/46/15/22/1135461522.db2.gz IERPMLGQDPQVPQ-HWKANZROSA-N -1 0 343.177 3.617 20 0 EHADRM Cc1ccc(C)n1C1CCN(C(=O)c2cccc(Cl)c2[O-])CC1 ZINC000775684902 1135509833 /nfs/dbraw/zinc/50/98/33/1135509833.db2.gz VYCALLZBNVLJSQ-UHFFFAOYSA-N -1 0 332.831 3.941 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1ccccc1OC1CC1 ZINC000807075675 1135517700 /nfs/dbraw/zinc/51/77/00/1135517700.db2.gz HLVKYHBDDJNVEE-UHFFFAOYSA-N -1 0 326.377 3.910 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(C)nc3sccc32)c(F)c1 ZINC001196354797 1135551356 /nfs/dbraw/zinc/55/13/56/1135551356.db2.gz WTFQNWJBNZRFKR-UHFFFAOYSA-N -1 0 336.413 3.853 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccncc3)c2)c(F)c1 ZINC001196382563 1135552832 /nfs/dbraw/zinc/55/28/32/1135552832.db2.gz GMKONLJCJSKNLZ-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cccnc3)cc2)c(F)c1 ZINC001196382500 1135552861 /nfs/dbraw/zinc/55/28/61/1135552861.db2.gz DEPUGAHSNRDNFT-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM CCC[C@H](C(=O)c1ccccc1)N(C)C(=O)c1cc(Cl)ncc1[O-] ZINC001196395609 1135554197 /nfs/dbraw/zinc/55/41/97/1135554197.db2.gz HJQRODUOXSKGMF-CQSZACIVSA-N -1 0 346.814 3.564 20 0 EHADRM O=C(Nc1c(Cl)ccc2ncccc21)c1cc(Cl)ncc1[O-] ZINC001196395118 1135554843 /nfs/dbraw/zinc/55/48/43/1135554843.db2.gz BSVUCEREOMNLLG-UHFFFAOYSA-N -1 0 334.162 3.895 20 0 EHADRM COc1cc2[nH]ccc2c(NC(=O)c2cc(Cl)c(F)cc2[O-])c1 ZINC001196467998 1135564294 /nfs/dbraw/zinc/56/42/94/1135564294.db2.gz WRDQVRPUKBADFP-UHFFFAOYSA-N -1 0 334.734 3.927 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)CC/C=C/c2ccccc2)cc1C ZINC000121464530 1135593700 /nfs/dbraw/zinc/59/37/00/1135593700.db2.gz BPQNKQSZCRQWPP-UXBLZVDNSA-N -1 0 343.448 3.602 20 0 EHADRM CN(C(=S)Nc1ccc(C(=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 ZINC001197095759 1135645703 /nfs/dbraw/zinc/64/57/03/1135645703.db2.gz MBIPQXWWJGTSMT-UHFFFAOYSA-N -1 0 344.480 3.982 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NC2(c3ccccc3F)CCC2)cc1 ZINC001197138719 1135648687 /nfs/dbraw/zinc/64/86/87/1135648687.db2.gz NDQRKZNBVBZGSP-UHFFFAOYSA-N -1 0 344.411 3.890 20 0 EHADRM C[C@@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)c1cccc(F)c1F ZINC001197139459 1135649277 /nfs/dbraw/zinc/64/92/77/1135649277.db2.gz GZCOEWSGIUAFDQ-SECBINFHSA-N -1 0 336.363 3.711 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N2CC=C(c3ccccc3)CC2)cc1 ZINC001197103319 1135650138 /nfs/dbraw/zinc/65/01/38/1135650138.db2.gz LCBQXWJFBLPYMR-UHFFFAOYSA-N -1 0 338.432 3.871 20 0 EHADRM CCN(Cc1cccc(OC)c1)C(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197102811 1135650195 /nfs/dbraw/zinc/65/01/95/1135650195.db2.gz DVRCFZPZOWPOQH-UHFFFAOYSA-N -1 0 344.436 3.612 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2cccc3cc(F)cnc32)cc1 ZINC001197119105 1135651566 /nfs/dbraw/zinc/65/15/66/1135651566.db2.gz ANPOQOGVBCSRFK-UHFFFAOYSA-N -1 0 341.367 3.881 20 0 EHADRM COc1ccc(C(C)(C)NC(=S)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001197126734 1135652714 /nfs/dbraw/zinc/65/27/14/1135652714.db2.gz DTIZONQTIVGSCS-UHFFFAOYSA-N -1 0 344.436 3.615 20 0 EHADRM CCOc1cncc(C(=O)Nc2c(Cl)ccc([O-])c2Cl)c1 ZINC001197620123 1135709549 /nfs/dbraw/zinc/70/95/49/1135709549.db2.gz PKGLLXSYINOLLB-UHFFFAOYSA-N -1 0 327.167 3.745 20 0 EHADRM O=S(=O)(Cc1ccc(Cl)c(F)c1)[N-]c1scnc1C1CC1 ZINC001197650962 1135716098 /nfs/dbraw/zinc/71/60/98/1135716098.db2.gz SHFRJTVBKAYUIE-UHFFFAOYSA-N -1 0 346.836 3.755 20 0 EHADRM CCc1nc(-c2ccccc2NC(=O)c2cccc(Cl)c2[O-])n[nH]1 ZINC000775784108 1135723578 /nfs/dbraw/zinc/72/35/78/1135723578.db2.gz CDWVZUXRIUBYQR-UHFFFAOYSA-N -1 0 342.786 3.645 20 0 EHADRM O=C(N[C@@H](C[C@H]1CCOC1)c1ccccc1)c1cccc(Cl)c1[O-] ZINC000775783235 1135728756 /nfs/dbraw/zinc/72/87/56/1135728756.db2.gz HTGHQBRSUXADSL-DYVFJYSZSA-N -1 0 345.826 3.943 20 0 EHADRM COc1cc(NC(=O)c2cccc(Cl)c2[O-])ccc1OC(F)F ZINC001131471488 1135745828 /nfs/dbraw/zinc/74/58/28/1135745828.db2.gz ZGLZOQJESIURQU-UHFFFAOYSA-N -1 0 343.713 3.908 20 0 EHADRM O=C([N-]Cc1cnccc1C(F)(F)F)C(F)(F)c1ccc(F)cc1 ZINC001131485352 1135752249 /nfs/dbraw/zinc/75/22/49/1135752249.db2.gz XJTMLZZFEPLHTE-UHFFFAOYSA-N -1 0 348.246 3.648 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCc2c3ccccc3[nH]c2C1 ZINC000775798604 1135752314 /nfs/dbraw/zinc/75/23/14/1135752314.db2.gz FWUOLMWYFJXDLE-UHFFFAOYSA-N -1 0 326.783 3.725 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2c(C)cccc2C(F)(F)F)c1 ZINC001197998396 1135760282 /nfs/dbraw/zinc/76/02/82/1135760282.db2.gz AXCVSTRONKZCAJ-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2cc(Cl)c(C)c(Cl)c2)c1 ZINC001197998289 1135760468 /nfs/dbraw/zinc/76/04/68/1135760468.db2.gz ZVZAGGHJZVBAOX-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2cccc(-c3ccc(O)cc3)c2)c1 ZINC001198009777 1135761772 /nfs/dbraw/zinc/76/17/72/1135761772.db2.gz VTKSFSZAJPECGL-UHFFFAOYSA-N -1 0 340.404 3.563 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2-c2ccccc2)cn1 ZINC001198321469 1135800380 /nfs/dbraw/zinc/80/03/80/1135800380.db2.gz RWTUDVZTOAHYSA-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM CCOc1cccc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c1 ZINC000081669480 1135807248 /nfs/dbraw/zinc/80/72/48/1135807248.db2.gz UKVFXAMPPHUHNT-UHFFFAOYSA-N -1 0 347.223 3.588 20 0 EHADRM CSc1ccccc1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000081670687 1135807402 /nfs/dbraw/zinc/80/74/02/1135807402.db2.gz UCOBBRLWOYNUFX-UHFFFAOYSA-N -1 0 349.264 3.911 20 0 EHADRM Cn1nc(-c2ccccc2)cc1Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203315912 1135807836 /nfs/dbraw/zinc/80/78/36/1135807836.db2.gz FTVMWAUISZVCQO-UHFFFAOYSA-N -1 0 329.306 3.807 20 0 EHADRM Cc1ccc2c(cccc2NS(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC001198790311 1135853808 /nfs/dbraw/zinc/85/38/08/1135853808.db2.gz RFVKSIANBLPKCN-UHFFFAOYSA-N -1 0 341.388 3.647 20 0 EHADRM Cn1ccc2c1cccc2[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198859709 1135862262 /nfs/dbraw/zinc/86/22/62/1135862262.db2.gz ZSKHHARCZBPPCV-UHFFFAOYSA-N -1 0 326.377 3.725 20 0 EHADRM O=C(Nc1ccccc1[S-])c1nccn1Cc1ccccc1F ZINC001199468313 1135906103 /nfs/dbraw/zinc/90/61/03/1135906103.db2.gz QWIOBQWBMLNYDV-UHFFFAOYSA-N -1 0 327.384 3.612 20 0 EHADRM O=C([O-])c1c(F)cc(Nc2cnc3cc(C4CCC4)nn3c2)cc1F ZINC001203322431 1135912159 /nfs/dbraw/zinc/91/21/59/1135912159.db2.gz DVKDRVWLEJPNJM-UHFFFAOYSA-N -1 0 344.321 3.717 20 0 EHADRM CCOc1ccccc1NC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001202150912 1136107759 /nfs/dbraw/zinc/10/77/59/1136107759.db2.gz IYBUQJJTQUEPIU-UHFFFAOYSA-N -1 0 338.367 3.621 20 0 EHADRM Cc1c(Cl)nccc1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000811835752 1136142703 /nfs/dbraw/zinc/14/27/03/1136142703.db2.gz NAMBPZDWXXBIBO-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)NCc2nc3ccccc3s2)c1 ZINC000811813567 1136144655 /nfs/dbraw/zinc/14/46/55/1136144655.db2.gz BXMAQAOHMCMQHB-UHFFFAOYSA-N -1 0 346.795 3.578 20 0 EHADRM CC(C)(CNC(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccccc1 ZINC000811816016 1136145125 /nfs/dbraw/zinc/14/51/25/1136145125.db2.gz IQFMTPIASWACLF-UHFFFAOYSA-N -1 0 331.799 3.746 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)NCc2ccc(Cl)s2)c1 ZINC000811820078 1136145299 /nfs/dbraw/zinc/14/52/99/1136145299.db2.gz MLNZXJFOHUSBOY-UHFFFAOYSA-N -1 0 330.192 3.683 20 0 EHADRM O=S(=O)([N-]c1ccc(N2CCCC2)c(Cl)c1)c1cccs1 ZINC000107532375 1136172209 /nfs/dbraw/zinc/17/22/09/1136172209.db2.gz UJHAUURPZDIBSR-UHFFFAOYSA-N -1 0 342.873 3.803 20 0 EHADRM CN(C(=O)c1c([O-])cnc2c(F)cccc21)c1cccc2cc[nH]c21 ZINC001170669024 1136186843 /nfs/dbraw/zinc/18/68/43/1136186843.db2.gz QILYBUIHMVPOPK-UHFFFAOYSA-N -1 0 335.338 3.837 20 0 EHADRM O=C(Cc1csc(-c2ccc(Cl)s2)n1)[N-]OC/C=C/Cl ZINC000812403804 1136202416 /nfs/dbraw/zinc/20/24/16/1136202416.db2.gz WNZUJQGAXFHIIK-DAFODLJHSA-N -1 0 349.264 3.868 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C(F)(F)c2ccc(F)cc2)c1 ZINC000812703572 1136235497 /nfs/dbraw/zinc/23/54/97/1136235497.db2.gz DQYFLXCSVPYLSM-UHFFFAOYSA-N -1 0 337.297 3.855 20 0 EHADRM O=C(N[C@@H]1CCCCC12CCCC2)c1n[n-]c2ccccc2c1=O ZINC000812724636 1136237642 /nfs/dbraw/zinc/23/76/42/1136237642.db2.gz INHVHJAZGNQWNV-OAHLLOKOSA-N -1 0 325.412 3.568 20 0 EHADRM CCC[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C(C)(C)C)ccc1C ZINC000813058764 1136283686 /nfs/dbraw/zinc/28/36/86/1136283686.db2.gz NZEIGFQMTHYUCA-UKRRQHHQSA-N -1 0 337.485 3.534 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)C1CC2(C1)CCCCC2 ZINC000850730696 1136298265 /nfs/dbraw/zinc/29/82/65/1136298265.db2.gz FNKVGADCHZEIHS-UHFFFAOYSA-N -1 0 341.860 3.505 20 0 EHADRM Cc1cc(C)c([N-]S(=O)(=O)C(F)(F)F)c(C)c1Br ZINC001252354815 1136302411 /nfs/dbraw/zinc/30/24/11/1136302411.db2.gz BZXUXSCRGSMBNX-UHFFFAOYSA-N -1 0 346.168 3.636 20 0 EHADRM CC1=CC[C@](C)(C(=O)[N-]S(=O)(=O)c2cccc3ccccc32)CC1 ZINC000850972396 1136324140 /nfs/dbraw/zinc/32/41/40/1136324140.db2.gz ADPFVKLOGBNMAU-IBGZPJMESA-N -1 0 343.448 3.781 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H]1CCCC[C@H]1CC ZINC000814015088 1136386602 /nfs/dbraw/zinc/38/66/02/1136386602.db2.gz SGRFLCHOUJGWJF-PVAVHDDUSA-N -1 0 337.485 3.800 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H]1CCCC(C)(C)C1 ZINC000814015438 1136386612 /nfs/dbraw/zinc/38/66/12/1136386612.db2.gz FLOAVCSXLUBAGL-JKSUJKDBSA-N -1 0 337.485 3.800 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc(SC(F)F)c2)CC2(CCC2)C1 ZINC000851596433 1136395260 /nfs/dbraw/zinc/39/52/60/1136395260.db2.gz RZSGZYCDUJUFMJ-UHFFFAOYSA-N -1 0 341.379 3.975 20 0 EHADRM CC(C)Oc1ccccc1[C@H](C)NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851602640 1136395798 /nfs/dbraw/zinc/39/57/98/1136395798.db2.gz XEIVFGYLBNKWPX-FUWURINLSA-N -1 0 343.379 3.656 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C1CCC2(CC2)CC1)c1ccc(F)cc1F ZINC000851602074 1136395871 /nfs/dbraw/zinc/39/58/71/1136395871.db2.gz XJXDMYOHRSBXQJ-HNNXBMFYSA-N -1 0 337.366 3.567 20 0 EHADRM CC1(C)C[C@H](c2ccccc2)N(C(=O)c2ccc(/C=C/C(=O)[O-])o2)C1 ZINC000851609553 1136396114 /nfs/dbraw/zinc/39/61/14/1136396114.db2.gz WNARGNVLSVQNQO-PXUDHTSWSA-N -1 0 339.391 3.991 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)o1 ZINC000851604951 1136396163 /nfs/dbraw/zinc/39/61/63/1136396163.db2.gz DCEWZSLOOTWJOY-BVPRHBRVSA-N -1 0 339.391 3.519 20 0 EHADRM C/C(=C/C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21)c1ccccc1 ZINC000851617984 1136396176 /nfs/dbraw/zinc/39/61/76/1136396176.db2.gz GZACOQKRCWXLGM-BFWQYQEMSA-N -1 0 327.424 3.582 20 0 EHADRM CC(C)c1ccccc1C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000852944236 1136493830 /nfs/dbraw/zinc/49/38/30/1136493830.db2.gz KOWQCBRPKOQBDM-MOPGFXCFSA-N -1 0 337.419 3.750 20 0 EHADRM O=C([N-]C1(c2csc(NC3CC3)n2)CCCCC1)C(F)(F)F ZINC000853001322 1136496557 /nfs/dbraw/zinc/49/65/57/1136496557.db2.gz YOUYJXCBJVUZMU-UHFFFAOYSA-N -1 0 333.379 3.555 20 0 EHADRM C[C@@H](CC1CCCC1)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000776660371 1136528774 /nfs/dbraw/zinc/52/87/74/1136528774.db2.gz WCBHPNMVEUUQBR-MEDUHNTESA-N -1 0 339.382 3.813 20 0 EHADRM C/C(=C\C(=O)N[C@@H](CC(=O)[O-])c1ccccc1C)c1ccc(F)cc1 ZINC000776675643 1136531816 /nfs/dbraw/zinc/53/18/16/1136531816.db2.gz WZVIUFDYDSGTBP-BJRSVTDJSA-N -1 0 341.382 3.870 20 0 EHADRM Cc1ccc2c(c1)SCCCN2C(=O)c1s[n-]c(=O)c1Cl ZINC000854515635 1136622816 /nfs/dbraw/zinc/62/28/16/1136622816.db2.gz VIJVXQXPUKRRJF-UHFFFAOYSA-N -1 0 340.857 3.953 20 0 EHADRM CON(C(=O)c1ccc2oc(=S)[n-]c2c1)[C@@H](C)c1csc(C)n1 ZINC000854754042 1136641435 /nfs/dbraw/zinc/64/14/35/1136641435.db2.gz JWBYRGDCBNNCEF-QMMMGPOBSA-N -1 0 349.437 3.646 20 0 EHADRM CCCOc1ccc(COC(=O)c2nc[nH]c2C(F)(F)F)c(C)c1 ZINC000855049123 1136663556 /nfs/dbraw/zinc/66/35/56/1136663556.db2.gz SLHWQTJATRYOAS-UHFFFAOYSA-N -1 0 342.317 3.883 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C(C)(C)C(C)(C)C ZINC000816096324 1136672506 /nfs/dbraw/zinc/67/25/06/1136672506.db2.gz YROPXAOBIGIXAF-AWEZNQCLSA-N -1 0 325.474 3.656 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@H]1CC[C@@H](C)C1 ZINC000816108930 1136677159 /nfs/dbraw/zinc/67/71/59/1136677159.db2.gz QWTHFTWBIBTFLP-VKJFTORMSA-N -1 0 337.485 3.656 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000816108927 1136677163 /nfs/dbraw/zinc/67/71/63/1136677163.db2.gz QWTHFTWBIBTFLP-IIDMSEBBSA-N -1 0 337.485 3.656 20 0 EHADRM Cc1cscc1C(=O)[N-]S(=O)(=O)[C@@H](c1ccccc1)C(C)C ZINC000816107250 1136677189 /nfs/dbraw/zinc/67/71/89/1136677189.db2.gz FPBBADJHHSKVML-OAHLLOKOSA-N -1 0 337.466 3.513 20 0 EHADRM CCC1(C(=O)[N-]S(=O)(=O)[C@@H](c2ccccc2)C(C)C)CCCC1 ZINC000816111997 1136677596 /nfs/dbraw/zinc/67/75/96/1136677596.db2.gz KYYGGSMELSTBIP-MRXNPFEDSA-N -1 0 337.485 3.800 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CC1(C)CCCC1 ZINC000816111227 1136677617 /nfs/dbraw/zinc/67/76/17/1136677617.db2.gz SRPKWIMWELSQHU-QGZVFWFLSA-N -1 0 337.485 3.800 20 0 EHADRM O=C(CSc1n[n-]c(=S)s1)Nc1ccc2c(c1)C=CCCC2 ZINC000855859389 1136737212 /nfs/dbraw/zinc/73/72/12/1136737212.db2.gz RNWWTVPPZQXMLV-UHFFFAOYSA-N -1 0 349.506 3.907 20 0 EHADRM C[C@H](Cc1ccccc1F)NC(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000816898396 1136762314 /nfs/dbraw/zinc/76/23/14/1136762314.db2.gz ZXFKOIREFCCCBI-SNVBAGLBSA-N -1 0 330.384 3.617 20 0 EHADRM O=C(N[C@@H]1CCCOc2ccccc21)c1ccc2oc(=S)[n-]c2c1 ZINC000816913666 1136765688 /nfs/dbraw/zinc/76/56/88/1136765688.db2.gz PSICJGRSIXZLAM-CYBMUJFWSA-N -1 0 340.404 3.760 20 0 EHADRM COc1ccc(NC(=O)c2c([O-])cnc3c(F)cccc32)cc1Cl ZINC001135763668 1136766545 /nfs/dbraw/zinc/76/65/45/1136766545.db2.gz ZKYJAWVNUFFNHH-UHFFFAOYSA-N -1 0 346.745 3.994 20 0 EHADRM C[C@@H](c1ccc(C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])cc1)C(F)(F)F ZINC000856723034 1136803126 /nfs/dbraw/zinc/80/31/26/1136803126.db2.gz VJJBJMHRLQPKOO-GWCFXTLKSA-N -1 0 345.361 3.972 20 0 EHADRM O=C([N-]c1ccccc1SC(F)F)c1nnc(-c2ccco2)o1 ZINC001135897059 1136803403 /nfs/dbraw/zinc/80/34/03/1136803403.db2.gz PKZVSXMYJJQTDO-UHFFFAOYSA-N -1 0 337.307 3.897 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N2CCc3cccc(C)c3C2)s1 ZINC000429537809 1136808150 /nfs/dbraw/zinc/80/81/50/1136808150.db2.gz FZLXSJQIWOROES-UHFFFAOYSA-N -1 0 344.484 3.591 20 0 EHADRM O=C(NCC1(c2ccccc2)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC001135942185 1136819773 /nfs/dbraw/zinc/81/97/73/1136819773.db2.gz PJUWWEZCUFNUBL-UHFFFAOYSA-N -1 0 335.325 3.873 20 0 EHADRM O=C([N-]Cc1c(F)cc(F)cc1F)C(F)(F)c1ccc(F)cc1 ZINC000818523708 1136879123 /nfs/dbraw/zinc/87/91/23/1136879123.db2.gz YBEMFYSPBHBNEH-UHFFFAOYSA-N -1 0 333.231 3.651 20 0 EHADRM Cc1ccccc1OCCNC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001136349546 1136996422 /nfs/dbraw/zinc/99/64/22/1136996422.db2.gz ANGXQJRCGPYNMG-UHFFFAOYSA-N -1 0 340.206 3.816 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC000116591188 1137005678 /nfs/dbraw/zinc/00/56/78/1137005678.db2.gz DSOORZLMMKSHFM-DBTPVHCXSA-N -1 0 343.448 3.606 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc3ocnc32)sc1Cl ZINC000821089156 1137017122 /nfs/dbraw/zinc/01/71/22/1137017122.db2.gz CRXXZMAMMHCVQO-UHFFFAOYSA-N -1 0 328.802 3.652 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)Cc2csc(C3CCCC3)n2)c1 ZINC000821743443 1137036887 /nfs/dbraw/zinc/03/68/87/1137036887.db2.gz RQPILZPUMSWYRO-UHFFFAOYSA-N -1 0 344.436 3.890 20 0 EHADRM COc1c(Cl)cc(NC(=O)c2ncc(C)cc2[O-])cc1Cl ZINC001136523291 1137045760 /nfs/dbraw/zinc/04/57/60/1137045760.db2.gz MZMIQSYXKMHWQU-UHFFFAOYSA-N -1 0 327.167 3.663 20 0 EHADRM CCN(Cc1c(F)cccc1F)C(=O)c1ccc(Cl)c([O-])c1 ZINC001136537863 1137049561 /nfs/dbraw/zinc/04/95/61/1137049561.db2.gz AARHMPGFWXJDJD-UHFFFAOYSA-N -1 0 325.742 3.986 20 0 EHADRM Cc1ccc(NC(=O)c2cc(F)cc(F)c2[O-])cc1OCC(F)F ZINC001136556009 1137053300 /nfs/dbraw/zinc/05/33/00/1137053300.db2.gz LPFLNUMCJIWYQM-UHFFFAOYSA-N -1 0 343.276 3.875 20 0 EHADRM C/C(=C\C(=O)N1CCC[C@]1(C)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000823338206 1137095572 /nfs/dbraw/zinc/09/55/72/1137095572.db2.gz CSKVGELMDDDMMA-SIFUEBAJSA-N -1 0 341.329 3.574 20 0 EHADRM O=C(Cc1csc(C2CCCC2)n1)Nc1ccc(F)c(F)c1[O-] ZINC000823499587 1137102674 /nfs/dbraw/zinc/10/26/74/1137102674.db2.gz SKXPJUITZCLNAG-UHFFFAOYSA-N -1 0 338.379 3.966 20 0 EHADRM CN(C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])C1CC(C)(C)C1 ZINC000823535163 1137103419 /nfs/dbraw/zinc/10/34/19/1137103419.db2.gz ZVDZBBMDDNSOOH-UHFFFAOYSA-N -1 0 327.380 3.725 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccc3c(c2)-c2ccccc2C3)C1 ZINC000823855451 1137116750 /nfs/dbraw/zinc/11/67/50/1137116750.db2.gz SYYQCYCQOKVDQK-HNNXBMFYSA-N -1 0 349.430 3.975 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCc3cc(OC)ccc32)c1 ZINC000861789140 1137120876 /nfs/dbraw/zinc/12/08/76/1137120876.db2.gz CZBNBSNPUUKFPS-MRXNPFEDSA-N -1 0 339.391 3.662 20 0 EHADRM CC(C)(C)c1csc(CNC(=O)c2ccc3[n-]c(=S)oc3c2)n1 ZINC000118786065 1137131645 /nfs/dbraw/zinc/13/16/45/1137131645.db2.gz PQFJLSIIKCKBOS-UHFFFAOYSA-N -1 0 347.465 3.801 20 0 EHADRM CC(C)c1cc(NC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)n[nH]1 ZINC000824459155 1137140211 /nfs/dbraw/zinc/14/02/11/1137140211.db2.gz KNJXOGWBUVQGIW-JTQLQIEISA-N -1 0 331.376 3.506 20 0 EHADRM Cc1ccc(NC(=O)CSc2n[n-]c(=S)s2)c(Cl)c1C ZINC000843964557 1137191911 /nfs/dbraw/zinc/19/19/11/1137191911.db2.gz JMMSLYMQUQRPEQ-UHFFFAOYSA-N -1 0 345.902 3.828 20 0 EHADRM O=c1cc(CN2CC[C@@H](C(F)(F)F)C2)c2cc(Cl)c([O-])cc2o1 ZINC000794562366 1137203728 /nfs/dbraw/zinc/20/37/28/1137203728.db2.gz OBCKEAZBXMQNIZ-SECBINFHSA-N -1 0 347.720 3.536 20 0 EHADRM Cc1ccc(SC2(CNC(=O)CCCC(=O)[O-])CCCC2)cc1 ZINC000844253662 1137205232 /nfs/dbraw/zinc/20/52/32/1137205232.db2.gz FCQBIJSYLZOJHL-UHFFFAOYSA-N -1 0 335.469 3.771 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)NCC[C@@]1(C)C[C@@]1(F)Cl)C1CCCCC1 ZINC000844267875 1137207479 /nfs/dbraw/zinc/20/74/79/1137207479.db2.gz LJTZDVQNLKCFQX-BBWFWOEESA-N -1 0 347.858 3.869 20 0 EHADRM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(F)c2)c1 ZINC000794579158 1137207811 /nfs/dbraw/zinc/20/78/11/1137207811.db2.gz RLTDJXHOLNRPLD-UHFFFAOYSA-N -1 0 341.791 3.873 20 0 EHADRM COc1c(C)cc(CN(C)C(=O)c2ccc(C)c(C(=O)[O-])c2)cc1C ZINC000864107964 1137215559 /nfs/dbraw/zinc/21/55/59/1137215559.db2.gz GQBZKZCMBPEUJV-UHFFFAOYSA-N -1 0 341.407 3.591 20 0 EHADRM Cc1c(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)sc2c1CCCC2 ZINC000864113232 1137215802 /nfs/dbraw/zinc/21/58/02/1137215802.db2.gz NABWBOPJMMBKTO-VQHVLOKHSA-N -1 0 331.393 3.878 20 0 EHADRM CC[C@H]1c2ccccc2CCN1C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000864128902 1137216411 /nfs/dbraw/zinc/21/64/11/1137216411.db2.gz YZKBLLZJEXZQLJ-YHWKNFMLSA-N -1 0 325.364 3.527 20 0 EHADRM COc1ccc2cc(C(=O)N3CCCC[C@@H]3CCC(=O)[O-])sc2c1 ZINC000864131817 1137216550 /nfs/dbraw/zinc/21/65/50/1137216550.db2.gz CCCZSXILOLEMFN-CYBMUJFWSA-N -1 0 347.436 3.769 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)CCc2cccc3ccccc32)C1 ZINC000864132879 1137216607 /nfs/dbraw/zinc/21/66/07/1137216607.db2.gz XHWIVGGKLOUTMW-INIZCTEOSA-N -1 0 339.435 3.876 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)c2cc3c(ccc4ccccc34)o2)CC1 ZINC000864132866 1137216728 /nfs/dbraw/zinc/21/67/28/1137216728.db2.gz XCRYYAXTLBFURD-UHFFFAOYSA-N -1 0 337.375 3.913 20 0 EHADRM O=C([O-])c1coc(/C=C\C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000864143097 1137217158 /nfs/dbraw/zinc/21/71/58/1137217158.db2.gz BJMAEUVIARZWSW-SYYCQZAKSA-N -1 0 343.354 3.583 20 0 EHADRM CC1(C)[C@H](c2ccccc2)CCN1C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000864148753 1137217208 /nfs/dbraw/zinc/21/72/08/1137217208.db2.gz GCIGWNGOCMRROI-IJDCCNJMSA-N -1 0 339.391 3.786 20 0 EHADRM Cc1cccc(C)c1[C@@H]1CCCN1C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000864152936 1137217322 /nfs/dbraw/zinc/21/73/22/1137217322.db2.gz SXJLCRIIHBJAAV-JJEJIETFSA-N -1 0 339.391 3.972 20 0 EHADRM CSCCCCCCC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000864156170 1137217418 /nfs/dbraw/zinc/21/74/18/1137217418.db2.gz ZHEZUCSCXUSROP-PMPSAXMXSA-N -1 0 341.517 3.792 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)CCc1ccc(F)c2ccccc12 ZINC000864159854 1137217606 /nfs/dbraw/zinc/21/76/06/1137217606.db2.gz NEBPQFUHBCSWOY-AEFFLSMTSA-N -1 0 343.398 3.671 20 0 EHADRM O=C([O-])[C@@H]1CCCCCN1C(=O)c1cc2c(cccc2C2CC2)[nH]1 ZINC000864158518 1137217672 /nfs/dbraw/zinc/21/76/72/1137217672.db2.gz MVTRWVMABMEZSV-KRWDZBQOSA-N -1 0 326.396 3.515 20 0 EHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC000864176307 1137217798 /nfs/dbraw/zinc/21/77/98/1137217798.db2.gz QQTICOZEKHIKQU-PMCDXHSFSA-N -1 0 347.842 3.845 20 0 EHADRM CC(C)(C)[C@@H]1Cc2ccccc2N(C(=O)c2ccc(C(=O)[O-])cn2)C1 ZINC000864175012 1137217839 /nfs/dbraw/zinc/21/78/39/1137217839.db2.gz MMAXEBCQOHCYMA-OAHLLOKOSA-N -1 0 338.407 3.645 20 0 EHADRM Cc1ccc(N(CC2CC2)C(=O)c2ccc(C(=O)[O-])c(C)n2)cc1F ZINC000864179062 1137218205 /nfs/dbraw/zinc/21/82/05/1137218205.db2.gz PEYMAFZNVRVJFR-UHFFFAOYSA-N -1 0 342.370 3.593 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)NCc2cc(C(=O)[O-])co2)cc1 ZINC000864193932 1137218710 /nfs/dbraw/zinc/21/87/10/1137218710.db2.gz XCRXROVZLAIXGV-CYBMUJFWSA-N -1 0 329.396 3.911 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)c1ccc2c(c1)Cc1ccccc1-2)C1CC1 ZINC000864203995 1137218986 /nfs/dbraw/zinc/21/89/86/1137218986.db2.gz OEMXNZJOBIBJQL-OAQYLSRUSA-N -1 0 335.403 3.631 20 0 EHADRM CC1(C)[C@H](c2ccccc2F)CCN1C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000864217080 1137219046 /nfs/dbraw/zinc/21/90/46/1137219046.db2.gz MIPNVPQJTZQEOD-FMKPAKJESA-N -1 0 347.430 3.811 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)C2[C@H]3CCCCCC[C@H]23)c2ccccc21 ZINC000864229745 1137219394 /nfs/dbraw/zinc/21/93/94/1137219394.db2.gz ZYKCNVHQONRRHC-KBMXLJTQSA-N -1 0 327.424 3.808 20 0 EHADRM CSc1ccc(C)c(C(=O)N[C@@H](CC(=O)[O-])c2cccc(C)c2)c1 ZINC000864227875 1137219418 /nfs/dbraw/zinc/21/94/18/1137219418.db2.gz HKORBQKKZKPSID-KRWDZBQOSA-N -1 0 343.448 3.971 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)c2csc(C(C)C)n2)c1 ZINC000864230118 1137219539 /nfs/dbraw/zinc/21/95/39/1137219539.db2.gz RAKJVOZSLBPPOG-ZDUSSCGKSA-N -1 0 332.425 3.521 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(Cl)c(Cl)[nH]2)c1 ZINC000794611266 1137220851 /nfs/dbraw/zinc/22/08/51/1137220851.db2.gz XNFDREWVKDLDSX-UHFFFAOYSA-N -1 0 327.167 3.872 20 0 EHADRM CC(C)(C)c1csc(CN[C@@H](CCc2ccccc2)C(=O)[O-])n1 ZINC000864505671 1137230493 /nfs/dbraw/zinc/23/04/93/1137230493.db2.gz CNWDNFCCKYIGKR-AWEZNQCLSA-N -1 0 332.469 3.616 20 0 EHADRM CC(C)OC[C@H](NCc1ccc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC000864516907 1137231619 /nfs/dbraw/zinc/23/16/19/1137231619.db2.gz RBSNEPNRIKEDCY-HNNXBMFYSA-N -1 0 337.803 3.568 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)Nc1cccc(SC(F)(F)F)c1)C1CC1 ZINC000864583984 1137235622 /nfs/dbraw/zinc/23/56/22/1137235622.db2.gz FSWWWBVKLVFSTI-QMMMGPOBSA-N -1 0 348.346 3.768 20 0 EHADRM O=C([O-])[C@@H]1CCCCCN1C(=O)Nc1ccc(F)c(C(F)F)c1 ZINC000864585122 1137235733 /nfs/dbraw/zinc/23/57/33/1137235733.db2.gz RCEMGFBNUZTNJQ-LBPRGKRZSA-N -1 0 330.306 3.624 20 0 EHADRM Cc1ccc(OCCC(=O)[O-])c(-c2ccc(C3(O)CCC3)cc2)c1 ZINC000864612961 1137236555 /nfs/dbraw/zinc/23/65/55/1137236555.db2.gz YMCAYADTDWPTMU-UHFFFAOYSA-N -1 0 326.392 3.887 20 0 EHADRM O=C(N[C@H]1C[C@H]1c1cccc(F)c1)c1ccc2[n-]c(=S)oc2c1 ZINC000120306000 1137253784 /nfs/dbraw/zinc/25/37/84/1137253784.db2.gz YBESKVJONOLILF-JSGCOSHPSA-N -1 0 328.368 3.542 20 0 EHADRM O=C([O-])[C@]1(C(=O)N2CCC[C@@H](c3ccccc3)CC2)CC=CCC1 ZINC000846708492 1137363164 /nfs/dbraw/zinc/36/31/64/1137363164.db2.gz RISTXCRDOAEXBL-YLJYHZDGSA-N -1 0 327.424 3.594 20 0 EHADRM Cc1cccc(NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1Cl ZINC000846797674 1137367733 /nfs/dbraw/zinc/36/77/33/1137367733.db2.gz WLIGTSPZHPTTBL-SDDRHHMPSA-N -1 0 338.835 3.905 20 0 EHADRM C[C@@H](N=c1[n-]c(-c2cc(Cl)cc(Cl)c2)no1)[C@@H]1CCCOC1 ZINC000543727010 1137379028 /nfs/dbraw/zinc/37/90/28/1137379028.db2.gz AGPPUMXLPSDTNL-NXEZZACHSA-N -1 0 342.226 3.692 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2cnc(C)s2)cc1Cl ZINC000339077468 1137385891 /nfs/dbraw/zinc/38/58/91/1137385891.db2.gz OVCZLUDRFKSDIX-UHFFFAOYSA-N -1 0 334.875 3.628 20 0 EHADRM O=C([O-])c1cc(Br)ccc1N[C@H]1COCc2ccccc21 ZINC001171292313 1137397131 /nfs/dbraw/zinc/39/71/31/1137397131.db2.gz RADQDHCYOOILHF-HNNXBMFYSA-N -1 0 348.196 3.831 20 0 EHADRM Cc1nc(C)c(CNC(=O)c2cc(Cl)cc(Cl)c2[O-])s1 ZINC001148205870 1137419504 /nfs/dbraw/zinc/41/95/04/1137419504.db2.gz NPGAYJSKFQSTLR-UHFFFAOYSA-N -1 0 331.224 3.702 20 0 EHADRM O=C(c1cc(Br)cc(F)c1[O-])N1CCC[C@@H](CCF)C1 ZINC000869267541 1137444463 /nfs/dbraw/zinc/44/44/63/1137444463.db2.gz QFASBMJQXWQDQW-VIFPVBQESA-N -1 0 348.187 3.506 20 0 EHADRM Cc1ccc(NC(=S)[N-]c2ccccc2SCC(N)=O)c(C)c1 ZINC000018164808 1137489841 /nfs/dbraw/zinc/48/98/41/1137489841.db2.gz KINGQJXMGSRDIQ-UHFFFAOYSA-N -1 0 345.493 3.690 20 0 EHADRM CC1(C)CCc2c([n-]n(-c3nnc(-c4ccccc4)s3)c2=O)C1 ZINC000871949410 1137563598 /nfs/dbraw/zinc/56/35/98/1137563598.db2.gz ZWBQNGAFZLELPQ-GFCCVEGCSA-N -1 0 326.425 3.734 20 0 EHADRM O=c1c(F)c(C(F)(F)F)[n-]n1Cc1cccc(Cl)c1Cl ZINC000871958991 1137563771 /nfs/dbraw/zinc/56/37/71/1137563771.db2.gz JGKGLYVPZQSMFW-QMMMGPOBSA-N -1 0 329.080 3.592 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cccc(Cl)c2)noc1C(C)(C)C ZINC000872007045 1137564367 /nfs/dbraw/zinc/56/43/67/1137564367.db2.gz IDPCODZJCRLUEG-UHFFFAOYSA-N -1 0 328.821 3.735 20 0 EHADRM Cc1ccc(CN2CCO[C@@H](c3ccccc3Cl)C2)cc1C(=O)[O-] ZINC000872156552 1137574197 /nfs/dbraw/zinc/57/41/97/1137574197.db2.gz BWUUXCSFZSMOJH-GOSISDBHSA-N -1 0 345.826 3.920 20 0 EHADRM CC(C)c1nc(S(=O)(=O)[N-]c2ccc(F)cc2C(C)(F)F)c[nH]1 ZINC000872404241 1137579419 /nfs/dbraw/zinc/57/94/19/1137579419.db2.gz PNSHRQMABUGURL-UHFFFAOYSA-N -1 0 347.362 3.585 20 0 EHADRM CCO[C@H](CS(=O)(=O)[N-]c1ccccc1C(F)(F)CC)C1CC1 ZINC000872409801 1137579557 /nfs/dbraw/zinc/57/95/57/1137579557.db2.gz GPCBSWIZFJXINK-OAHLLOKOSA-N -1 0 347.427 3.745 20 0 EHADRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2cnn(CC)c2C)c1 ZINC000872422467 1137579905 /nfs/dbraw/zinc/57/99/05/1137579905.db2.gz OJCNRYNZGCHOEL-UHFFFAOYSA-N -1 0 341.864 3.618 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1sccc1C(F)F ZINC000872715614 1137583198 /nfs/dbraw/zinc/58/31/98/1137583198.db2.gz NANIPPNPZSPCHC-GFCCVEGCSA-N -1 0 339.363 3.940 20 0 EHADRM CC(C)c1cc(Cl)ccc1NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC000872738141 1137583629 /nfs/dbraw/zinc/58/36/29/1137583629.db2.gz CIYRJOQBTRCOJV-WCQYABFASA-N -1 0 339.819 3.672 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)c1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000872767412 1137584101 /nfs/dbraw/zinc/58/41/01/1137584101.db2.gz YTKQKEDCJTUDEK-KNQAVFIVSA-N -1 0 347.414 3.727 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000872833929 1137585283 /nfs/dbraw/zinc/58/52/83/1137585283.db2.gz YRNXVJBLMSYLGX-CQSZACIVSA-N -1 0 341.860 3.504 20 0 EHADRM CC[C@](C)(CC(=O)[O-])C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000872914481 1137586457 /nfs/dbraw/zinc/58/64/57/1137586457.db2.gz JICJTIZRKHRZRJ-HXUWFJFHSA-N -1 0 342.439 3.765 20 0 EHADRM CC(C)[C@@H]1C[C@H](NC(=O)C(C)(C)SCC(=O)[O-])c2ccccc21 ZINC000872987944 1137587573 /nfs/dbraw/zinc/58/75/73/1137587573.db2.gz CJIATPXWRWIAHA-GJZGRUSLSA-N -1 0 335.469 3.584 20 0 EHADRM O=C([O-])[C@@H](CC(=O)N[C@@H]1CCc2ccc(Cl)cc21)c1ccccc1 ZINC000872993704 1137587603 /nfs/dbraw/zinc/58/76/03/1137587603.db2.gz FBQVDIBFCPYRGW-DLBZAZTESA-N -1 0 343.810 3.702 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1F)C(=O)[O-] ZINC000873001351 1137587739 /nfs/dbraw/zinc/58/77/39/1137587739.db2.gz LIZVSMVIQUETSI-WDSKDSINSA-N -1 0 340.203 3.666 20 0 EHADRM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000825777635 1137631134 /nfs/dbraw/zinc/63/11/34/1137631134.db2.gz AAJGLHFPDDKVSF-KBXCAEBGSA-N -1 0 338.407 3.724 20 0 EHADRM CC[C@@H]1CCC[C@]1(C)C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000878033145 1137700092 /nfs/dbraw/zinc/70/00/92/1137700092.db2.gz RZHMGZOVWUCWAU-DIFFPNOSSA-N -1 0 333.457 3.572 20 0 EHADRM Cc1ccc(NC(=O)COC(=O)c2cc3ccsc3[nH]2)cc1C ZINC000023345569 1137748738 /nfs/dbraw/zinc/74/87/38/1137748738.db2.gz XALSDEYFBZLENJ-UHFFFAOYSA-N -1 0 328.393 3.642 20 0 EHADRM CC(C)c1ncsc1[N-]S(=O)(=O)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000882735809 1137832973 /nfs/dbraw/zinc/83/29/73/1137832973.db2.gz UZTNJFVCSSGQCF-CHWSQXEVSA-N -1 0 340.445 3.703 20 0 EHADRM Cc1ccc2cccc(S(=O)(=O)[N-]c3ncsc3C3CC3)c2n1 ZINC000882771455 1137833840 /nfs/dbraw/zinc/83/38/40/1137833840.db2.gz CWINRCVOIGESNT-UHFFFAOYSA-N -1 0 345.449 3.678 20 0 EHADRM O=S(=O)([N-]c1ncsc1C1CC1)c1ccc(Cl)c(F)c1 ZINC000882772671 1137833866 /nfs/dbraw/zinc/83/38/66/1137833866.db2.gz GOSOWPHZJISFCS-UHFFFAOYSA-N -1 0 332.809 3.614 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)s1 ZINC000028807951 1137870212 /nfs/dbraw/zinc/87/02/12/1137870212.db2.gz UOPBIJJYBZIKKL-UHFFFAOYSA-N -1 0 337.253 3.746 20 0 EHADRM O=C(Nc1ccc(S(=O)(=O)[O-])c2ccccc12)NC1CCCCC1 ZINC001202615419 1137885896 /nfs/dbraw/zinc/88/58/96/1137885896.db2.gz ZHIRIFYOPZLEHF-UHFFFAOYSA-N -1 0 348.424 3.541 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000108068180 1137888631 /nfs/dbraw/zinc/88/86/31/1137888631.db2.gz ITGVHFWNZLVTTG-IQMFZBJNSA-N -1 0 329.465 3.795 20 0 EHADRM CC[C@@H](NC(=O)CC(CC)(CC)C(=O)[O-])c1ccc(F)cc1F ZINC000348281269 1137893311 /nfs/dbraw/zinc/89/33/11/1137893311.db2.gz LLNDSTRAIMEQLG-CQSZACIVSA-N -1 0 327.371 3.813 20 0 EHADRM CC[C@H](C)[C@@H]([N-]S(=O)(=O)/C=C/c1ccccc1F)C(F)(F)F ZINC000800045595 1137895617 /nfs/dbraw/zinc/89/56/17/1137895617.db2.gz PIOBGICKSINLEF-NBICGZMJSA-N -1 0 339.354 3.693 20 0 EHADRM CC[C@H]1CCCN1C(=O)N=c1[n-]nc(C(C)(C)c2ccccc2)s1 ZINC000331432908 1137908119 /nfs/dbraw/zinc/90/81/19/1137908119.db2.gz MMIIWOCANCTMJA-AWEZNQCLSA-N -1 0 344.484 3.692 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2C[C@H](C)C[C@@H]2c2ccccc2F)s1 ZINC000331469959 1137909677 /nfs/dbraw/zinc/90/96/77/1137909677.db2.gz CNTFXLSQQXEZNT-BXUZGUMPSA-N -1 0 348.447 3.667 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2C[C@@H](C)C[C@H]2c2cccc(F)c2)s1 ZINC000331566074 1137912928 /nfs/dbraw/zinc/91/29/28/1137912928.db2.gz QGMSIWYIKRODBY-FZMZJTMJSA-N -1 0 348.447 3.667 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2c(C)nn(CC)c2C)cc1 ZINC000014227558 1137930995 /nfs/dbraw/zinc/93/09/95/1137930995.db2.gz XENCQHJGPHXWQX-LBPRGKRZSA-N -1 0 335.473 3.834 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)N3CCC[C@H]3CC(C)(C)C)cc2=O)cc1 ZINC000332152190 1137933613 /nfs/dbraw/zinc/93/36/13/1137933613.db2.gz OXZGEGIRERNDON-INIZCTEOSA-N -1 0 341.455 3.515 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N(Cc1cccs1)C1CC1 ZINC000118767938 1137935009 /nfs/dbraw/zinc/93/50/09/1137935009.db2.gz HJWQVVVKVCFSPF-UHFFFAOYSA-N -1 0 330.434 3.983 20 0 EHADRM CC(C)c1nc(CCNC(=O)c2ccc3[n-]c(=S)oc3c2)cs1 ZINC000118784740 1137935179 /nfs/dbraw/zinc/93/51/79/1137935179.db2.gz XMPKASGCKPQYTJ-UHFFFAOYSA-N -1 0 347.465 3.669 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)N=c2ccc(C3CC3)n[n-]2)C1 ZINC000333177151 1137957290 /nfs/dbraw/zinc/95/72/90/1137957290.db2.gz LRZXJMCXNZNJSA-SJCJKPOMSA-N -1 0 340.402 3.530 20 0 EHADRM CC[C@@]1(C)CCCN(C(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)C1 ZINC000075213300 1138126519 /nfs/dbraw/zinc/12/65/19/1138126519.db2.gz VIRJKCLVPTVVQE-KRWDZBQOSA-N -1 0 331.441 3.650 20 0 EHADRM CCCCC[C@H](C)CC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000079427820 1138155811 /nfs/dbraw/zinc/15/58/11/1138155811.db2.gz ZOJOZZTZBWQTTK-LBPRGKRZSA-N -1 0 335.473 3.550 20 0 EHADRM C[C@@H](C(=O)[N-]Oc1ccccc1F)c1ccc(Br)cc1 ZINC001154215613 1138182418 /nfs/dbraw/zinc/18/24/18/1138182418.db2.gz KIHBSHOHUXVDAU-SNVBAGLBSA-N -1 0 338.176 3.802 20 0 EHADRM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1ccc(-c2ccco2)cc1F ZINC000887293218 1138257336 /nfs/dbraw/zinc/25/73/36/1138257336.db2.gz XBFGIJLMBPWVIN-AWBCAMRRSA-N -1 0 341.338 3.547 20 0 EHADRM Cc1ccc(C)c(C(=O)N[C@H]2c3ccccc3CC[C@@H]2F)c1C(=O)[O-] ZINC000887317457 1138263674 /nfs/dbraw/zinc/26/36/74/1138263674.db2.gz KSSWLQNTJNVGAM-YJBOKZPZSA-N -1 0 341.382 3.757 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC000887382618 1138294371 /nfs/dbraw/zinc/29/43/71/1138294371.db2.gz NAMRXWQESOIRBK-GFCCVEGCSA-N -1 0 336.285 3.586 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C3CCCC3)nn2C)s1 ZINC000333680797 1138319083 /nfs/dbraw/zinc/31/90/83/1138319083.db2.gz LGAKOTVVJHVQCF-UHFFFAOYSA-N -1 0 339.486 3.557 20 0 EHADRM Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(Oc2ccc(C)cc2)cc1 ZINC000336877771 1138419495 /nfs/dbraw/zinc/41/94/95/1138419495.db2.gz VZDDZRCRKIAGGU-UHFFFAOYSA-N -1 0 343.408 3.620 20 0 EHADRM CCc1ncc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)s1 ZINC000337150687 1138479893 /nfs/dbraw/zinc/47/98/93/1138479893.db2.gz JCEUYAUFSUJACO-UHFFFAOYSA-N -1 0 326.418 3.523 20 0 EHADRM Cc1ccc(C)c(S([O-])=CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)c1 ZINC000264576729 1138564418 /nfs/dbraw/zinc/56/44/18/1138564418.db2.gz UVVCYWFEPNQHFA-IZHWHUGBSA-N -1 0 347.455 3.770 20 0 EHADRM O=C(Nc1ccc2ccc(Cl)cc2n1)c1cc(F)cc2n[nH]nc21 ZINC000337518829 1138592668 /nfs/dbraw/zinc/59/26/68/1138592668.db2.gz SGQMYHDPIGCFRN-UHFFFAOYSA-N -1 0 341.733 3.551 20 0 EHADRM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccnn1C(C)C ZINC000337768074 1138663786 /nfs/dbraw/zinc/66/37/86/1138663786.db2.gz NKLRSQWHMDGTAV-UHFFFAOYSA-N -1 0 347.362 3.592 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCCCC2)cn1 ZINC000337779997 1138666187 /nfs/dbraw/zinc/66/61/87/1138666187.db2.gz SKORCXMPJPWVHL-UHFFFAOYSA-N -1 0 345.468 3.571 20 0 EHADRM CCc1onc(C)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C ZINC000337865148 1138685184 /nfs/dbraw/zinc/68/51/84/1138685184.db2.gz NVZLAYJKUQQEAV-UHFFFAOYSA-N -1 0 348.346 3.673 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@H](c2ccc(C)cc2)c2ccccn2)s[n-]1 ZINC000337945402 1138703844 /nfs/dbraw/zinc/70/38/44/1138703844.db2.gz RMLSKMOCFZDGAU-XJKSGUPXSA-N -1 0 340.452 3.572 20 0 EHADRM O=S(=O)([N-]c1ccccc1Oc1ccccc1Cl)c1cn[nH]c1 ZINC000338060964 1138737049 /nfs/dbraw/zinc/73/70/49/1138737049.db2.gz VVCHXLCDPDDGKO-UHFFFAOYSA-N -1 0 349.799 3.656 20 0 EHADRM CCCn1ccc2ccc([N-]S(=O)(=O)c3cn(C(C)C)cn3)cc21 ZINC000338221989 1138792546 /nfs/dbraw/zinc/79/25/46/1138792546.db2.gz VQFDQKXCLJRUHY-UHFFFAOYSA-N -1 0 346.456 3.630 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000826634131 1139196521 /nfs/dbraw/zinc/19/65/21/1139196521.db2.gz YLDKJEDFOYRELG-MLGOLLRUSA-N -1 0 334.416 3.692 20 0 EHADRM CCCc1ccccc1NC(=O)CSc1n[n-]c(=S)s1 ZINC000176005304 1139533782 /nfs/dbraw/zinc/53/37/82/1139533782.db2.gz LJJGHJLQLQTWBS-UHFFFAOYSA-N -1 0 325.484 3.884 20 0 EHADRM CC1(O)CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])CC1 ZINC000178595546 1139706102 /nfs/dbraw/zinc/70/61/02/1139706102.db2.gz VHESOCJGBIQPRA-UHFFFAOYSA-N -1 0 345.826 3.700 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)C1 ZINC000179985536 1139798556 /nfs/dbraw/zinc/79/85/56/1139798556.db2.gz VNGNEBGVZMLWSZ-YCPHGPKFSA-N -1 0 335.831 3.895 20 0 EHADRM CCC[C@H](NC(=O)c1ccccc1SCc1ccco1)C(=O)[O-] ZINC000777373211 1139907584 /nfs/dbraw/zinc/90/75/84/1139907584.db2.gz QRFSZVIFDFSPOT-AWEZNQCLSA-N -1 0 333.409 3.555 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1 ZINC000777376437 1139927250 /nfs/dbraw/zinc/92/72/50/1139927250.db2.gz DKIZIAIVMDGFAU-CUZBXDDWSA-N -1 0 347.411 3.937 20 0 EHADRM COC(=O)[C@H]1CCC[C@H](C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC000185470143 1140151270 /nfs/dbraw/zinc/15/12/70/1140151270.db2.gz JDSNQNUHXHBATL-IUCAKERBSA-N -1 0 346.210 3.617 20 0 EHADRM CCCN(CCc1cccs1)C(=O)c1cc(OC)c(O)c(OC)c1 ZINC000185654611 1140160991 /nfs/dbraw/zinc/16/09/91/1140160991.db2.gz GRZKZIRRMVSLQY-UHFFFAOYSA-N -1 0 349.452 3.566 20 0 EHADRM CC(C)(C)OCc1cc(C(=O)Nc2cc(F)c(F)cc2F)no1 ZINC000185648068 1140161076 /nfs/dbraw/zinc/16/10/76/1140161076.db2.gz LBADBFNRBXCNCU-UHFFFAOYSA-N -1 0 328.290 3.659 20 0 EHADRM CC(F)(F)c1cccc(NC(=O)CSc2n[n-]c(=S)s2)c1 ZINC000187350702 1140251079 /nfs/dbraw/zinc/25/10/79/1140251079.db2.gz VFPCUVGUPLKEOJ-UHFFFAOYSA-N -1 0 347.437 3.669 20 0 EHADRM CCCCCC[C@](C)(NC(=O)C[C@@H](C)c1c(C)noc1C)C(=O)[O-] ZINC000191146350 1140439903 /nfs/dbraw/zinc/43/99/03/1140439903.db2.gz VIQCJHBTHRQOCI-XIKOKIGWSA-N -1 0 338.448 3.715 20 0 EHADRM Cc1cc(=O)[nH]c([C@@H](C)N[C@H](C)c2ccc(-c3cccnc3)cc2)n1 ZINC000192762092 1140548938 /nfs/dbraw/zinc/54/89/38/1140548938.db2.gz DLNPJBHBNBXEJF-HUUCEWRRSA-N -1 0 334.423 3.964 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)C1CCC(C(=O)[O-])CC1 ZINC000194404369 1140607227 /nfs/dbraw/zinc/60/72/27/1140607227.db2.gz IQPTZAMZMJSLFV-FHERZECASA-N -1 0 331.456 3.750 20 0 EHADRM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)C2CCC(C(=O)[O-])CC2)C1 ZINC000194419549 1140608849 /nfs/dbraw/zinc/60/88/49/1140608849.db2.gz WOHOXVIEYHKTEE-OTBWCIGPSA-N -1 0 329.440 3.590 20 0 EHADRM O=C([O-])[C@H]1CC[C@@H](NC(=O)c2ccc(-c3ccc(F)cc3)s2)C1 ZINC000194449201 1140610715 /nfs/dbraw/zinc/61/07/15/1140610715.db2.gz TUKSGRLXTXQANU-WCQYABFASA-N -1 0 333.384 3.537 20 0 EHADRM O=C([O-])[C@H]1CC12CCN(C(=O)/C=C/c1cccc3ccccc13)CC2 ZINC000268939599 1141031355 /nfs/dbraw/zinc/03/13/55/1141031355.db2.gz KEQFTBYULDPFJY-GFOMBABLSA-N -1 0 335.403 3.566 20 0 EHADRM COc1cccc(C=C2CCN(C(=O)c3ccc(F)cc3[O-])CC2)c1 ZINC000269689644 1141136508 /nfs/dbraw/zinc/13/65/08/1141136508.db2.gz GFIDVLIKNRTDHD-UHFFFAOYSA-N -1 0 341.382 3.860 20 0 EHADRM Cc1sc(C=Cc2c[nH]nc2-c2ccccc2F)nc1C(=O)[O-] ZINC000339114221 1141500816 /nfs/dbraw/zinc/50/08/16/1141500816.db2.gz PQIJKTCSETYWRY-VOTSOKGWSA-N -1 0 329.356 3.849 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)c2[nH]c(C)cc2C)s1)c1ccccc1 ZINC000348787069 1141579977 /nfs/dbraw/zinc/57/99/77/1141579977.db2.gz PHYUFKULQNQXBS-CQSZACIVSA-N -1 0 340.452 3.699 20 0 EHADRM CC(C)n1cc2cc(NC(=O)c3cc(F)c(F)c([O-])c3F)ccc2n1 ZINC000349112930 1141640758 /nfs/dbraw/zinc/64/07/58/1141640758.db2.gz XCFJXXIJYMQHNC-UHFFFAOYSA-N -1 0 349.312 3.992 20 0 EHADRM Cc1cccc(O)c1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000038052574 213198747 /nfs/dbraw/zinc/19/87/47/213198747.db2.gz PIRAAMMDUCPNQB-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N2CCCC[C@H]2CC(=O)[O-])c1 ZINC000038026608 213193105 /nfs/dbraw/zinc/19/31/05/213193105.db2.gz YGKIUXQLTOWKAL-JTQLQIEISA-N -1 0 327.833 3.531 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(Br)cc2)c(C(=O)[O-])c1 ZINC000019807058 212070704 /nfs/dbraw/zinc/07/07/04/212070704.db2.gz BQCXGFAQIKICBO-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM Cc1cc(Cl)ccc1NS(=O)(=O)c1cccc(Cl)c1[O-] ZINC000555530633 450602142 /nfs/dbraw/zinc/60/21/42/450602142.db2.gz KMYDHQHITIXEJI-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM O=C([O-])C1(CC(=O)NCc2cccc3cccnc32)CCCCCC1 ZINC000299288138 527553336 /nfs/dbraw/zinc/55/33/36/527553336.db2.gz BNAQJXJDENYWEB-UHFFFAOYSA-N -1 0 340.423 3.666 20 0 EHADRM C[C@@H](c1ccc2ccccc2c1)N(C(=O)CSCC(=O)[O-])C1CC1 ZINC000739057716 597089446 /nfs/dbraw/zinc/08/94/46/597089446.db2.gz NDICWMHGEBNHPV-ZDUSSCGKSA-N -1 0 343.448 3.710 20 0 EHADRM C[C@@H](OC(=O)CCCN(C)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000736687966 599871545 /nfs/dbraw/zinc/87/15/45/599871545.db2.gz YEYXXZPGZSSOPJ-SNVBAGLBSA-N -1 0 333.306 3.700 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)CCc2ccc(Cl)cc2Cl)C1 ZINC000314958799 597098085 /nfs/dbraw/zinc/09/80/85/597098085.db2.gz XFSJWHZNDYMHFP-NSHDSACASA-N -1 0 344.238 3.639 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)C2CCC(c3ccccc3)CC2)C1 ZINC000676217865 597098788 /nfs/dbraw/zinc/09/87/88/597098788.db2.gz DEEZKZKQIXVBKY-ZLPCBKJTSA-N -1 0 329.440 3.674 20 0 EHADRM COc1cccc(CNc2cccc(CC(=O)[O-])c2)c1OC(F)F ZINC000818622414 597138485 /nfs/dbraw/zinc/13/84/85/597138485.db2.gz GUGLMIVWRYVGFR-UHFFFAOYSA-N -1 0 337.322 3.536 20 0 EHADRM O=C([O-])Cc1cccc(NCc2cnn(-c3ccc(Cl)cc3)c2)c1 ZINC000819585686 597138839 /nfs/dbraw/zinc/13/88/39/597138839.db2.gz BOFCEFAZYNWJQY-UHFFFAOYSA-N -1 0 341.798 3.765 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2cc(Cl)sc2Cl)cc1 ZINC000219099484 597148630 /nfs/dbraw/zinc/14/86/30/597148630.db2.gz XVGFZBPMCYJHAB-UHFFFAOYSA-N -1 0 330.192 3.683 20 0 EHADRM CN(Cc1ccc(Cl)cc1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000321419296 597188551 /nfs/dbraw/zinc/18/85/51/597188551.db2.gz ZUBCNVSHAGOYSO-UHFFFAOYSA-N -1 0 332.787 3.631 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N(Cc2ccco2)C2CCCC2)c1 ZINC000738623108 597201737 /nfs/dbraw/zinc/20/17/37/597201737.db2.gz AQDHQWVRXSWOLZ-UHFFFAOYSA-N -1 0 342.395 3.883 20 0 EHADRM C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NCCCCCC(=O)[O-] ZINC000414630489 597234398 /nfs/dbraw/zinc/23/43/98/597234398.db2.gz UHKXASQVNNSAJJ-LBPRGKRZSA-N -1 0 349.456 3.644 20 0 EHADRM O=C([O-])CCCNC(=S)Nc1ccccc1Oc1ccccc1 ZINC000819460031 597282981 /nfs/dbraw/zinc/28/29/81/597282981.db2.gz JYMPSVUQWYZFSN-UHFFFAOYSA-N -1 0 330.409 3.630 20 0 EHADRM O=C([O-])c1ccc(C[S@](=O)Cc2c(F)cccc2Cl)cc1 ZINC000526854471 597284088 /nfs/dbraw/zinc/28/40/88/597284088.db2.gz PWJIESISZYTEAJ-NRFANRHFSA-N -1 0 326.776 3.626 20 0 EHADRM C[C@H](CNC(=O)Nc1ccccc1CC(=O)[O-])c1ccc(F)cc1F ZINC000818009286 597331718 /nfs/dbraw/zinc/33/17/18/597331718.db2.gz ZNOAAEPRIDTCCX-LLVKDONJSA-N -1 0 348.349 3.517 20 0 EHADRM CC(C)(C)[C@@H]1CCCN(C(=O)Nc2ccccc2CC(=O)[O-])CC1 ZINC000324726181 597334358 /nfs/dbraw/zinc/33/43/58/597334358.db2.gz ZQQIGDNEGOSIQD-OAHLLOKOSA-N -1 0 332.444 3.994 20 0 EHADRM CC(C)[C@H](CNC(=O)Nc1ccccc1CC(=O)[O-])c1ccccc1 ZINC000817853495 597336001 /nfs/dbraw/zinc/33/60/01/597336001.db2.gz QCGIRBPYBDKVHQ-KRWDZBQOSA-N -1 0 340.423 3.875 20 0 EHADRM C[C@H]1c2ccsc2CCN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000321168338 597336023 /nfs/dbraw/zinc/33/60/23/597336023.db2.gz XPXHICRIXFZQDY-NSHDSACASA-N -1 0 330.409 3.526 20 0 EHADRM CC(C)N(Cc1ccc(F)cc1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000817909743 597342576 /nfs/dbraw/zinc/34/25/76/597342576.db2.gz HXWQVYMRZQQVHZ-UHFFFAOYSA-N -1 0 344.386 3.895 20 0 EHADRM CC[C@H](C)n1ncc(C(=O)Nc2cccc(CC(=O)[O-])c2)c1C1CC1 ZINC000263032677 597454921 /nfs/dbraw/zinc/45/49/21/597454921.db2.gz ZSJZGCLSYKCQGU-LBPRGKRZSA-N -1 0 341.411 3.611 20 0 EHADRM Cc1cn(C2CCCCC2)nc1NC(=O)c1cccc(C(=O)[O-])c1 ZINC000821135730 597796205 /nfs/dbraw/zinc/79/62/05/597796205.db2.gz DLFWZDOLQGILTN-UHFFFAOYSA-N -1 0 327.384 3.647 20 0 EHADRM Cc1cn(C2CCCCC2)nc1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000821135840 597796242 /nfs/dbraw/zinc/79/62/42/597796242.db2.gz IRCGINRZLAAEOF-UHFFFAOYSA-N -1 0 327.384 3.647 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=S)Nc1ccccc1-c1ccccc1 ZINC000820009482 598058244 /nfs/dbraw/zinc/05/82/44/598058244.db2.gz KSGZCCYZKWTXHL-UHFFFAOYSA-N -1 0 328.437 3.845 20 0 EHADRM CCN(C(=O)Nc1ccccc1C(=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000820332706 598176869 /nfs/dbraw/zinc/17/68/69/598176869.db2.gz DZCCWHQDCLHAJX-GFCCVEGCSA-N -1 0 328.368 3.705 20 0 EHADRM CCc1[nH]c(C(=O)N(CC(C)(C)C)CC(F)(F)F)c(C)c1C(=O)[O-] ZINC000737238246 599704739 /nfs/dbraw/zinc/70/47/39/599704739.db2.gz ZHGXULQFXXEYBR-UHFFFAOYSA-N -1 0 348.365 3.634 20 0 EHADRM CN(CCOc1ccc(Cl)cc1)C(=O)c1ccccc1NC(=O)[O-] ZINC000737448912 599705851 /nfs/dbraw/zinc/70/58/51/599705851.db2.gz HPOBLKNXBSJQHA-UHFFFAOYSA-N -1 0 348.786 3.581 20 0 EHADRM CCCC[C@@H](Sc1nnc(-c2ccco2)n1CC(C)C)C(=O)[O-] ZINC000736986662 599710491 /nfs/dbraw/zinc/71/04/91/599710491.db2.gz YCHUYPLWVWVUBG-CYBMUJFWSA-N -1 0 337.445 3.930 20 0 EHADRM O=C([O-])NCCCC(=O)Nc1ccccc1SCc1ccccc1 ZINC000739967824 599712149 /nfs/dbraw/zinc/71/21/49/599712149.db2.gz ZDISVMGALKEZPN-UHFFFAOYSA-N -1 0 344.436 3.965 20 0 EHADRM Cc1ccc(CNC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1F ZINC000738602016 599717164 /nfs/dbraw/zinc/71/71/64/599717164.db2.gz HEIGQYHESHWLCF-UHFFFAOYSA-N -1 0 335.310 3.685 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)NCCSc2ccccc2)ccc1F ZINC000740007825 599717218 /nfs/dbraw/zinc/71/72/18/599717218.db2.gz KAEDZTPZNKOCRZ-UHFFFAOYSA-N -1 0 349.387 3.829 20 0 EHADRM O=C([O-])NCCCC(=O)N(Cc1c(Cl)cccc1Cl)C1CC1 ZINC000739950401 599718993 /nfs/dbraw/zinc/71/89/93/599718993.db2.gz HKQJOHYJHRSCPH-UHFFFAOYSA-N -1 0 345.226 3.532 20 0 EHADRM C[C@@H](Cc1ccsc1)NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736628775 599719038 /nfs/dbraw/zinc/71/90/38/599719038.db2.gz DYTFNJGWAIKQCQ-VIFPVBQESA-N -1 0 337.376 3.730 20 0 EHADRM O=C([O-])CCCCCNC(=O)N1CCC[C@H](c2ccccc2)CC1 ZINC000414627890 599719240 /nfs/dbraw/zinc/71/92/40/599719240.db2.gz NVRKVSDSWOBXHM-KRWDZBQOSA-N -1 0 332.444 3.611 20 0 EHADRM C[C@H]1CCc2c(C(=O)Nc3cccc(C(=O)[O-])c3O)csc2C1 ZINC000322181687 599720221 /nfs/dbraw/zinc/72/02/21/599720221.db2.gz HLNYVVNTPCUJIW-VIFPVBQESA-N -1 0 331.393 3.529 20 0 EHADRM O=C([O-])NCCCC(=O)Nc1cccc(Cl)c1Oc1cccnc1 ZINC000739960968 599726399 /nfs/dbraw/zinc/72/63/99/599726399.db2.gz NWGZQIKBBDNHPK-UHFFFAOYSA-N -1 0 349.774 3.514 20 0 EHADRM COc1ccc([C@H]2CCCCCN2C(=O)CCCN(C)C(=O)[O-])cc1 ZINC000737987680 599727208 /nfs/dbraw/zinc/72/72/08/599727208.db2.gz YAGUVTUWXLVIBA-QGZVFWFLSA-N -1 0 348.443 3.529 20 0 EHADRM CCC[C@@H](NC(=O)CCCNC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000736970774 599728166 /nfs/dbraw/zinc/72/81/66/599728166.db2.gz PBVYLZNTFDODCP-CYBMUJFWSA-N -1 0 347.242 3.999 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)O[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000739554357 599729464 /nfs/dbraw/zinc/72/94/64/599729464.db2.gz BUOWLTXUOWBGRJ-OWCLPIDISA-N -1 0 330.767 3.693 20 0 EHADRM Cc1c(NC(=O)Cc2ccccc2C(F)(F)F)cccc1C(=O)[O-] ZINC000678975582 599730270 /nfs/dbraw/zinc/73/02/70/599730270.db2.gz KYPUCVMVSLKXNB-UHFFFAOYSA-N -1 0 337.297 3.893 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)c2ccc(-n3cccc3)c(F)c2)c1 ZINC000740040041 599736299 /nfs/dbraw/zinc/73/62/99/599736299.db2.gz DKSUEQWOTZRJKN-UHFFFAOYSA-N -1 0 339.326 3.959 20 0 EHADRM CN(Cc1ccccc1-c1ccccc1)C(=O)NCCCCC(=O)[O-] ZINC000666558765 599737230 /nfs/dbraw/zinc/73/72/30/599737230.db2.gz XCKDZURTLMWHJQ-UHFFFAOYSA-N -1 0 340.423 3.750 20 0 EHADRM O=C([O-])CSCCC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000739854292 599740823 /nfs/dbraw/zinc/74/08/23/599740823.db2.gz WFGWBMXUIZETLI-UHFFFAOYSA-N -1 0 331.393 3.625 20 0 EHADRM Cc1cc(C)cc(-c2cc(NC(=O)c3cccc(C(=O)[O-])c3)n[nH]2)c1 ZINC000738358378 599741017 /nfs/dbraw/zinc/74/10/17/599741017.db2.gz VBLGZXPODCXPRU-UHFFFAOYSA-N -1 0 335.363 3.644 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1cc(C)n(C2CCCCC2)c1C)C(=O)[O-] ZINC000236986826 599743455 /nfs/dbraw/zinc/74/34/55/599743455.db2.gz CHVOXJITARLWFX-SJCJKPOMSA-N -1 0 334.460 3.839 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)c1sc(CC(C)C)nc1C ZINC000737863280 599744428 /nfs/dbraw/zinc/74/44/28/599744428.db2.gz CHJTZXDTXKNZAD-UHFFFAOYSA-N -1 0 349.408 3.576 20 0 EHADRM CCC/C=C/C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000736973267 599752790 /nfs/dbraw/zinc/75/27/90/599752790.db2.gz IAVCZRMWPUNDKP-SNAWJCMRSA-N -1 0 331.290 3.621 20 0 EHADRM CCC[C@](C)(NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000236821314 599763156 /nfs/dbraw/zinc/76/31/56/599763156.db2.gz UXESPFRHYFZAAS-UVWXRNBGSA-N -1 0 344.238 3.857 20 0 EHADRM CCC[C@@H](Cc1ccccc1)NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736969498 599765374 /nfs/dbraw/zinc/76/53/74/599765374.db2.gz HXOTXOUWAWWGMK-KRWDZBQOSA-N -1 0 326.396 3.918 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)cn1 ZINC000238026846 599765677 /nfs/dbraw/zinc/76/56/77/599765677.db2.gz SQNKLNOSOLZTHH-INIZCTEOSA-N -1 0 344.798 3.704 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)/C=C/Sc2ccccc2)cc1 ZINC000739755972 599768598 /nfs/dbraw/zinc/76/85/98/599768598.db2.gz HSUCOGVMNJXJEK-OUKQBFOZSA-N -1 0 327.405 3.948 20 0 EHADRM Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000237710861 599769797 /nfs/dbraw/zinc/76/97/97/599769797.db2.gz OONFFHVERKYHCG-UHFFFAOYSA-N -1 0 336.391 3.675 20 0 EHADRM C[C@H](CNC(=O)c1sc2cc(Cl)ccc2c1Cl)C(=O)[O-] ZINC000054310347 599777012 /nfs/dbraw/zinc/77/70/12/599777012.db2.gz QYJFMWSZVNJFPM-ZCFIWIBFSA-N -1 0 332.208 3.659 20 0 EHADRM CCCC[C@@H]1CCC[C@H]1NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000736986415 599781741 /nfs/dbraw/zinc/78/17/41/599781741.db2.gz WNVKQFAWKOFVBP-NVXWUHKLSA-N -1 0 332.444 3.885 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)OC(=O)C[C@H](C)CC(C)C ZINC000738525568 599785717 /nfs/dbraw/zinc/78/57/17/599785717.db2.gz LRBRFCLGFIQUPE-OCCSQVGLSA-N -1 0 349.427 3.636 20 0 EHADRM O=C([O-])c1ccc(CN2CCc3c(Cl)c(Cl)ccc3C2)o1 ZINC000740125455 599786433 /nfs/dbraw/zinc/78/64/33/599786433.db2.gz DLIIJAIZKZQWRC-UHFFFAOYSA-N -1 0 326.179 3.843 20 0 EHADRM Cc1nc(CC(C)C)sc1C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000738851253 599787379 /nfs/dbraw/zinc/78/73/79/599787379.db2.gz KBHZBSYECCVXHR-JTQLQIEISA-N -1 0 337.397 3.859 20 0 EHADRM COc1ccc(Cl)cc1CN[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000738013822 599788761 /nfs/dbraw/zinc/78/87/61/599788761.db2.gz NGOSJOIWWLKZDZ-HNNXBMFYSA-N -1 0 341.741 3.542 20 0 EHADRM CCCC[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000736986396 599789296 /nfs/dbraw/zinc/78/92/96/599789296.db2.gz VMQCKXVBNSBIMC-CJNGLKHVSA-N -1 0 334.416 3.630 20 0 EHADRM COc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000738125436 599789457 /nfs/dbraw/zinc/78/94/57/599789457.db2.gz VVDWZNQYAMAMEJ-INIZCTEOSA-N -1 0 340.379 3.762 20 0 EHADRM Cc1cc(C(=O)OCc2ccoc2C(=O)[O-])cc(C)c1OC(F)F ZINC000738351861 599790047 /nfs/dbraw/zinc/79/00/47/599790047.db2.gz NOIILNAWRNWSKW-UHFFFAOYSA-N -1 0 340.278 3.553 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)C1CCCCCC1 ZINC000738525345 599790112 /nfs/dbraw/zinc/79/01/12/599790112.db2.gz KLNQMMQZIGWTHC-CYBMUJFWSA-N -1 0 347.411 3.534 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)N(CC2CC2)C2CCCCC2)cc1 ZINC000740121089 599790353 /nfs/dbraw/zinc/79/03/53/599790353.db2.gz AFRSBMGLLXCSGC-UHFFFAOYSA-N -1 0 344.455 3.682 20 0 EHADRM COc1ccc2cc([C@H](C)C(=O)NCCCCCC(=O)[O-])ccc2c1 ZINC000237321074 599794093 /nfs/dbraw/zinc/79/40/93/599794093.db2.gz WPFHOQRWETVFRS-AWEZNQCLSA-N -1 0 343.423 3.713 20 0 EHADRM COc1ccc2cc(/C=C\C(=O)NCCCCCC(=O)[O-])ccc2c1 ZINC000738080057 599794630 /nfs/dbraw/zinc/79/46/30/599794630.db2.gz VIILATZTXBZOAK-XFFZJAGNSA-N -1 0 341.407 3.623 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)Oc2ccsc2C(=O)[O-])cc1 ZINC000736300133 599800898 /nfs/dbraw/zinc/80/08/98/599800898.db2.gz USCLPXOMNROKMG-UHFFFAOYSA-N -1 0 340.422 3.512 20 0 EHADRM O=C([O-])c1sccc1NC(=O)c1cc(Cl)nc2ccccc21 ZINC000318366034 599802672 /nfs/dbraw/zinc/80/26/72/599802672.db2.gz HMYAQNXIXBCIST-UHFFFAOYSA-N -1 0 332.768 3.900 20 0 EHADRM O=C([O-])c1sccc1NC(=O)Cc1coc2cc3c(cc12)CCC3 ZINC000739350850 599803039 /nfs/dbraw/zinc/80/30/39/599803039.db2.gz KPHDBQDDCBCIHS-UHFFFAOYSA-N -1 0 341.388 3.862 20 0 EHADRM Cc1cc(NC(=S)N[C@@H](C)c2cccs2)sc1C(=O)[O-] ZINC000738238792 599805709 /nfs/dbraw/zinc/80/57/09/599805709.db2.gz CWDARFLMTGKTLE-QMMMGPOBSA-N -1 0 326.468 3.864 20 0 EHADRM C[C@@H](NC(=S)N(C)Cc1ccc(C(=O)[O-])cc1)c1cccs1 ZINC000736661229 599806283 /nfs/dbraw/zinc/80/62/83/599806283.db2.gz UAUKQGPDWNHYIA-LLVKDONJSA-N -1 0 334.466 3.514 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C[C@@H]1CCCc2ccccc21 ZINC000358599831 599816236 /nfs/dbraw/zinc/81/62/36/599816236.db2.gz XKRQTLKBVXLMFL-DKKFBQAASA-N -1 0 341.451 3.741 20 0 EHADRM O=C([O-])c1cc(NC(=O)NCc2cc(F)ccc2F)ccc1Cl ZINC000320420766 599816764 /nfs/dbraw/zinc/81/67/64/599816764.db2.gz PWDKHNUFZCMRDH-UHFFFAOYSA-N -1 0 340.713 3.638 20 0 EHADRM Cc1cccc2c1CC[C@@H]2NC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000738746999 599817162 /nfs/dbraw/zinc/81/71/62/599817162.db2.gz CDKBUJAXYZFUTL-HNNXBMFYSA-N -1 0 328.343 3.641 20 0 EHADRM CC(C)Sc1ccc(Cl)cc1NC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000263504481 599822108 /nfs/dbraw/zinc/82/21/08/599822108.db2.gz VALOIFLKAVLFGR-JTQLQIEISA-N -1 0 342.848 3.779 20 0 EHADRM CN(Cc1ccccc1F)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000325560072 599824786 /nfs/dbraw/zinc/82/47/86/599824786.db2.gz WTJSIFASARMVPO-UHFFFAOYSA-N -1 0 330.359 3.507 20 0 EHADRM CCCOc1ccc(/C=C(\C(=O)[O-])c2ccncc2)cc1OCC ZINC000737031813 599830940 /nfs/dbraw/zinc/83/09/40/599830940.db2.gz RDUSFVADVDJGAL-VBKFSLOCSA-N -1 0 327.380 3.894 20 0 EHADRM O=C([O-])CCCCNC(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000390752544 599832315 /nfs/dbraw/zinc/83/23/15/599832315.db2.gz DTUUBRITMHCIEI-UHFFFAOYSA-N -1 0 340.423 3.653 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCC[C@H]2c2ccsc2)c(F)c1 ZINC000740146796 599837864 /nfs/dbraw/zinc/83/78/64/599837864.db2.gz GSVAKJRXORGFBW-AWEZNQCLSA-N -1 0 334.372 3.954 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000738122013 599842961 /nfs/dbraw/zinc/84/29/61/599842961.db2.gz WQCOTTPPWXYVKF-LLVKDONJSA-N -1 0 331.343 3.665 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)CCc1ccc(Cl)s1 ZINC000739260916 599844145 /nfs/dbraw/zinc/84/41/45/599844145.db2.gz OSEFNBSNQMRQPN-UHFFFAOYSA-N -1 0 327.764 3.810 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000196360093 599846990 /nfs/dbraw/zinc/84/69/90/599846990.db2.gz YUOAARIASKYOPT-UHFFFAOYSA-N -1 0 343.232 3.675 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)c1n[nH]c2ccccc21 ZINC000013426742 599848801 /nfs/dbraw/zinc/84/88/01/599848801.db2.gz UQHNENBXZCCRLL-UHFFFAOYSA-N -1 0 331.331 3.667 20 0 EHADRM O=C([O-])CSCCC(=O)Nc1cccc(Sc2ccccc2)c1 ZINC000739854598 599853370 /nfs/dbraw/zinc/85/33/70/599853370.db2.gz YSQINFPFKZSRIZ-UHFFFAOYSA-N -1 0 347.461 3.984 20 0 EHADRM CC(C)c1ccccc1NC(=O)CNc1ccc(CCC(=O)[O-])cc1 ZINC000736524037 599857427 /nfs/dbraw/zinc/85/74/27/599857427.db2.gz ZCCLOIPRBCTHDG-UHFFFAOYSA-N -1 0 340.423 3.878 20 0 EHADRM O=C([O-])CCc1ccc(NCC(=O)Nc2ccc3ccccc3c2)cc1 ZINC000739763161 599858157 /nfs/dbraw/zinc/85/81/57/599858157.db2.gz HIYZMRXBKQDHJK-UHFFFAOYSA-N -1 0 348.402 3.908 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)NC2CCCCC2)cc1 ZINC000738199382 599863143 /nfs/dbraw/zinc/86/31/43/599863143.db2.gz ADDCVYZJVDUQLX-HNNXBMFYSA-N -1 0 336.457 3.556 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)OCc1cccc(OC(F)F)c1 ZINC000740053931 599866926 /nfs/dbraw/zinc/86/69/26/599866926.db2.gz LQDDQZWMYZVRHI-UHFFFAOYSA-N -1 0 337.278 3.735 20 0 EHADRM CCCO[C@@H]1CCCN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)CC1 ZINC000737028032 599881150 /nfs/dbraw/zinc/88/11/50/599881150.db2.gz OEXOKRBOHPQFLF-QGZVFWFLSA-N -1 0 348.443 3.517 20 0 EHADRM Cc1sc(NC(=O)N2CCC[C@H]2c2cccn2C)c(C(=O)[O-])c1C ZINC000738998117 599881169 /nfs/dbraw/zinc/88/11/69/599881169.db2.gz XYJVXFNKVPBHRM-ZDUSSCGKSA-N -1 0 347.440 3.771 20 0 EHADRM O=C([O-])c1coc(COC(=O)c2cccc3c4c([nH]c32)CCCC4)c1 ZINC000740272891 599882558 /nfs/dbraw/zinc/88/25/58/599882558.db2.gz ZQKMCVHELBTSKE-UHFFFAOYSA-N -1 0 339.347 3.695 20 0 EHADRM CCC[C@](C)(NC(=O)/C=C/c1ccccc1O[C@@H](C)CC)C(=O)[O-] ZINC000236830647 599884824 /nfs/dbraw/zinc/88/48/24/599884824.db2.gz HNODRKGQEATKPI-HBBBSCFVSA-N -1 0 333.428 3.637 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)NC2CC(c3ccccc3)C2)cc1 ZINC000737329782 599887273 /nfs/dbraw/zinc/88/72/73/599887273.db2.gz AFFQZWCTCBIQKQ-UHFFFAOYSA-N -1 0 339.395 3.869 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)Nc1nc2c(ccc3ccccc23)s1 ZINC000736381251 599888802 /nfs/dbraw/zinc/88/88/02/599888802.db2.gz JMZRXGSWPYIRJV-ZDUSSCGKSA-N -1 0 343.408 3.680 20 0 EHADRM Cc1ccc(Cl)c(NC(=S)N2CCC(C(=O)[O-])CC2)c1Cl ZINC000738280191 599891406 /nfs/dbraw/zinc/89/14/06/599891406.db2.gz BJVWKTQSYNSTJB-UHFFFAOYSA-N -1 0 347.267 3.795 20 0 EHADRM CCOCc1cccc(NC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c1 ZINC000737178137 599894097 /nfs/dbraw/zinc/89/40/97/599894097.db2.gz QFEBUYBWDKHKDM-KRWDZBQOSA-N -1 0 342.395 3.561 20 0 EHADRM CCCCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000071806857 599904814 /nfs/dbraw/zinc/90/48/14/599904814.db2.gz YZPFKYYCLVBJBN-UHFFFAOYSA-N -1 0 347.436 3.689 20 0 EHADRM CC(C)c1nc(C(=O)Oc2cc(Cl)ccc2C(=O)[O-])cs1 ZINC000736526622 599905173 /nfs/dbraw/zinc/90/51/73/599905173.db2.gz ZCSJNOGIDBCFGZ-UHFFFAOYSA-N -1 0 325.773 3.837 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000738120857 599905896 /nfs/dbraw/zinc/90/58/96/599905896.db2.gz OTUYMZLNXQKZNM-LLVKDONJSA-N -1 0 331.343 3.665 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N[C@H]2CCc3c2cccc3Cl)c1 ZINC000740030429 599909861 /nfs/dbraw/zinc/90/98/61/599909861.db2.gz XXGXIFMAKVHOAU-HNNXBMFYSA-N -1 0 330.771 3.847 20 0 EHADRM C[C@@H](CC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccccc1F ZINC000237290569 599912772 /nfs/dbraw/zinc/91/27/72/599912772.db2.gz SDZZIGZCTRLVEG-ZDUSSCGKSA-N -1 0 329.371 3.676 20 0 EHADRM Cc1cccc(CC(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)c1 ZINC000236626191 599913958 /nfs/dbraw/zinc/91/39/58/599913958.db2.gz CUKHYQAEVCIFQA-UHFFFAOYSA-N -1 0 327.380 3.662 20 0 EHADRM Cc1cc(NC(=O)COc2ccccc2C(C)C)ccc1C(=O)[O-] ZINC000324474746 599918397 /nfs/dbraw/zinc/91/83/97/599918397.db2.gz HSBYZNIGSVCORH-UHFFFAOYSA-N -1 0 327.380 3.834 20 0 EHADRM Cc1ccc(F)cc1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000237562307 599921060 /nfs/dbraw/zinc/92/10/60/599921060.db2.gz PBXAYJDKDXPBRT-UHFFFAOYSA-N -1 0 333.384 3.704 20 0 EHADRM CC(C)C[C@@H](NC(=O)CCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000557977049 599926104 /nfs/dbraw/zinc/92/61/04/599926104.db2.gz DHUFAFCBKUHHBL-CYBMUJFWSA-N -1 0 331.334 3.774 20 0 EHADRM O=C([O-])CC[C@@H](NC(=S)Nc1ccc(Cl)nc1)c1ccccc1 ZINC000739662485 599927396 /nfs/dbraw/zinc/92/73/96/599927396.db2.gz KCWHAYOYPGCHSV-CYBMUJFWSA-N -1 0 349.843 3.628 20 0 EHADRM O=C([O-])CCSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 ZINC000738596391 599927759 /nfs/dbraw/zinc/92/77/59/599927759.db2.gz GOZIQNNFKKPBAF-UHFFFAOYSA-N -1 0 343.383 3.640 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)Cc1cccc(Cl)c1)c1ccccc1 ZINC000194684017 599930722 /nfs/dbraw/zinc/93/07/22/599930722.db2.gz NMYONLYVZRSWHW-INIZCTEOSA-N -1 0 331.799 3.605 20 0 EHADRM C/C(=C/C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1)c1ccc(F)cc1 ZINC000736120946 599931425 /nfs/dbraw/zinc/93/14/25/599931425.db2.gz MPBAVFQUKKOWLG-HWOXTHGCSA-N -1 0 341.382 3.951 20 0 EHADRM CCCc1ccc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000362341758 599931460 /nfs/dbraw/zinc/93/14/60/599931460.db2.gz XIMNJYLLTPPQJP-GOSISDBHSA-N -1 0 325.408 3.975 20 0 EHADRM Cc1ccc(OCCCCNC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000738644224 599931553 /nfs/dbraw/zinc/93/15/53/599931553.db2.gz WINHJSZXOLIHSC-UHFFFAOYSA-N -1 0 342.395 3.674 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1OS(=O)(=O)C1CCCCC1 ZINC000740096456 599931718 /nfs/dbraw/zinc/93/17/18/599931718.db2.gz ISQORBLHZVUZEB-UHFFFAOYSA-N -1 0 334.393 3.579 20 0 EHADRM CC(C)(C)Sc1ccc(NC(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC000236602207 599931835 /nfs/dbraw/zinc/93/18/35/599931835.db2.gz MTJLFCFPMQQHMM-UHFFFAOYSA-N -1 0 330.409 3.923 20 0 EHADRM Cc1ccc(CC(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)cc1C ZINC000324314014 599937092 /nfs/dbraw/zinc/93/70/92/599937092.db2.gz FQZZJQLAOUNADP-SFHVURJKSA-N -1 0 325.408 3.568 20 0 EHADRM O=C([O-])CCNC(=O)[C@H](Sc1ccccc1Cl)c1ccccc1 ZINC000357392699 599939464 /nfs/dbraw/zinc/93/94/64/599939464.db2.gz OAEDFBFWLAOZPH-MRXNPFEDSA-N -1 0 349.839 3.764 20 0 EHADRM C[C@@H](CC(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-])CC(C)(C)C ZINC000736541531 599944318 /nfs/dbraw/zinc/94/43/18/599944318.db2.gz KOWSRGCJEQTVAZ-ZFWWWQNUSA-N -1 0 337.435 3.648 20 0 EHADRM O=C([O-])c1sc2ccccc2c1COC(=O)COC1CCCCC1 ZINC000739322919 599944569 /nfs/dbraw/zinc/94/45/69/599944569.db2.gz WKUUJBMRMRTANM-UHFFFAOYSA-N -1 0 348.420 3.992 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2ccc(OC3CCCC3)cc2)c1O ZINC000739484677 599949171 /nfs/dbraw/zinc/94/91/71/599949171.db2.gz YAPGXBGMMRFTSU-UHFFFAOYSA-N -1 0 341.363 3.664 20 0 EHADRM CC1(CNC(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)CCCC1 ZINC000736737449 599953754 /nfs/dbraw/zinc/95/37/54/599953754.db2.gz IFCDQAKCFSQKLH-UHFFFAOYSA-N -1 0 345.443 3.687 20 0 EHADRM O=C([O-])c1occc1COC(=O)c1cccc(OC2CCCC2)c1 ZINC000740296338 599953782 /nfs/dbraw/zinc/95/37/82/599953782.db2.gz KPXAHJXRECNPBG-UHFFFAOYSA-N -1 0 330.336 3.656 20 0 EHADRM CCCc1ccc(NC(=O)NCCOc2ccc(C(=O)[O-])cc2)cc1 ZINC000737044326 599954130 /nfs/dbraw/zinc/95/41/30/599954130.db2.gz AVWSWVWDAMRMRL-UHFFFAOYSA-N -1 0 342.395 3.538 20 0 EHADRM O=C([O-])CSCCC(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000739850567 599962432 /nfs/dbraw/zinc/96/24/32/599962432.db2.gz VZGDBAFFVPSSFS-UHFFFAOYSA-N -1 0 330.409 3.577 20 0 EHADRM Cc1c(NC(=O)c2ccccc2OCC(C)C)cccc1C(=O)[O-] ZINC000738306555 599971503 /nfs/dbraw/zinc/97/15/03/599971503.db2.gz RZSDHVINFLSWNG-UHFFFAOYSA-N -1 0 327.380 3.980 20 0 EHADRM Cc1c2ccccc2oc1C(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000738259834 599980650 /nfs/dbraw/zinc/98/06/50/599980650.db2.gz QXSIKABBJNBTLR-HNNXBMFYSA-N -1 0 345.301 3.575 20 0 EHADRM CCc1[nH]c(C(=O)Nc2cccc([C@@H](C)OC)c2)c(C)c1C(=O)[O-] ZINC000737246905 599981795 /nfs/dbraw/zinc/98/17/95/599981795.db2.gz ZPBKWKMSEYGOCU-LLVKDONJSA-N -1 0 330.384 3.543 20 0 EHADRM CC(C)Oc1ccccc1C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000736493444 599991200 /nfs/dbraw/zinc/99/12/00/599991200.db2.gz UXDYQOPOCUMPHW-UHFFFAOYSA-N -1 0 332.327 3.668 20 0 EHADRM O=C([O-])c1cccc(C(=O)NCC2(c3ccc(Cl)cc3)CCC2)c1 ZINC000740214833 599992660 /nfs/dbraw/zinc/99/26/60/599992660.db2.gz MLWCHMMKVHMRMX-UHFFFAOYSA-N -1 0 343.810 3.890 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000738542375 599995928 /nfs/dbraw/zinc/99/59/28/599995928.db2.gz XXUGJBIWYYMUTQ-STQMWFEESA-N -1 0 332.302 3.681 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1c[nH]c2cc(Cl)ccc12)c1cccs1 ZINC000739628594 599997203 /nfs/dbraw/zinc/99/72/03/599997203.db2.gz QYLPYVGVULXITQ-ZDUSSCGKSA-N -1 0 348.811 3.829 20 0 EHADRM CCc1ccc(CCC(=O)Nc2cc(OC)ccc2C(=O)[O-])cc1 ZINC000325416244 599998517 /nfs/dbraw/zinc/99/85/17/599998517.db2.gz MISANLBEYGNDJS-UHFFFAOYSA-N -1 0 327.380 3.527 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)OCC(=O)c2cc3ccccc3o2)c1 ZINC000740037479 600001145 /nfs/dbraw/zinc/00/11/45/600001145.db2.gz UFEQVBZKAAYMHA-UHFFFAOYSA-N -1 0 339.303 3.562 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC000738119954 600001918 /nfs/dbraw/zinc/00/19/18/600001918.db2.gz JWPZRCQFWZQRJE-UGSOOPFHSA-N -1 0 328.364 3.558 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)COc2ccccc2C(C)C)c1 ZINC000327347356 600001980 /nfs/dbraw/zinc/00/19/80/600001980.db2.gz DQBDUGVUJQTYGI-UHFFFAOYSA-N -1 0 343.379 3.534 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)NC(C)(C)c2ccc(F)cc2)cc1 ZINC000737332489 600009763 /nfs/dbraw/zinc/00/97/63/600009763.db2.gz PAMFJIWZIKAGTA-UHFFFAOYSA-N -1 0 345.374 3.997 20 0 EHADRM CC(C)(C)c1csc(NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)n1 ZINC000326357038 600010289 /nfs/dbraw/zinc/01/02/89/600010289.db2.gz QFWRYLPXMVSIQF-UHFFFAOYSA-N -1 0 345.424 3.687 20 0 EHADRM Cc1cc(NC(=O)N[C@@H](C)CCc2ccccc2)ccc1C(=O)[O-] ZINC000324494692 600016439 /nfs/dbraw/zinc/01/64/39/600016439.db2.gz MLBCERKNUUQVJC-AWEZNQCLSA-N -1 0 326.396 3.836 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263065418 600016472 /nfs/dbraw/zinc/01/64/72/600016472.db2.gz SMHJVKIGHMIBQV-PIMMBPRGSA-N -1 0 348.443 3.544 20 0 EHADRM O=C([O-])C1CCC(NC(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000263137071 600019742 /nfs/dbraw/zinc/01/97/42/600019742.db2.gz ZHEAQVUQUGVAIN-ZGUYJTEBSA-N -1 0 344.455 3.655 20 0 EHADRM CC(C)CC[C@H](C)NC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000736428572 600020499 /nfs/dbraw/zinc/02/04/99/600020499.db2.gz LAESAVYCLNXJTE-ZDUSSCGKSA-N -1 0 338.473 3.951 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)[O-])ccc1Cl ZINC000738465614 600022298 /nfs/dbraw/zinc/02/22/98/600022298.db2.gz VFMXIWLFIUQCLA-LLVKDONJSA-N -1 0 333.771 3.753 20 0 EHADRM CC(C)[C@H]1CCCC[C@H]1NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000326095234 600023787 /nfs/dbraw/zinc/02/37/87/600023787.db2.gz BFQPRJIHQNCERR-IAGOWNOFSA-N -1 0 330.428 3.625 20 0 EHADRM CCc1ccccc1NC(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)[O-] ZINC000737274033 600025141 /nfs/dbraw/zinc/02/51/41/600025141.db2.gz GODPJQMIPFKISU-QGZVFWFLSA-N -1 0 340.423 3.622 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)C2(c3cccc(Cl)c3)CCC2)c1 ZINC000739888857 600026214 /nfs/dbraw/zinc/02/62/14/600026214.db2.gz HZNLGUCTLSSUJU-UHFFFAOYSA-N -1 0 344.794 3.994 20 0 EHADRM CCCN(Cc1ccc(C)cc1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000563795811 600026631 /nfs/dbraw/zinc/02/66/31/600026631.db2.gz OLJLOFXKFNJREQ-UHFFFAOYSA-N -1 0 332.444 3.560 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)c2ccccc2Oc2cccnc2)c1 ZINC000739888423 600026910 /nfs/dbraw/zinc/02/69/10/600026910.db2.gz LDWDAMHHZHBOIO-UHFFFAOYSA-N -1 0 349.342 3.720 20 0 EHADRM Cc1[nH]c(-c2ccccc2)nc1C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000738228200 600029767 /nfs/dbraw/zinc/02/97/67/600029767.db2.gz OSZMDPLTYXZYGC-NSHDSACASA-N -1 0 340.335 3.594 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H](c2ccccc2)c2cccnc2)cc1 ZINC000738512426 600031230 /nfs/dbraw/zinc/03/12/30/600031230.db2.gz TZUXTPSIISGZAD-GOSISDBHSA-N -1 0 347.374 3.691 20 0 EHADRM COc1cc(Cl)c(C)cc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237167264 600032827 /nfs/dbraw/zinc/03/28/27/600032827.db2.gz ZNTVXUVCOZWIPM-UHFFFAOYSA-N -1 0 347.798 3.927 20 0 EHADRM CCc1cccc(CC)c1NC(=S)NC1CCC(C(=O)[O-])CC1 ZINC000737267554 600034037 /nfs/dbraw/zinc/03/40/37/600034037.db2.gz QMGBQXGNNCLZLI-UHFFFAOYSA-N -1 0 334.485 3.741 20 0 EHADRM O=C([O-])c1cc(Br)ccc1NC(=O)CC1=CCCCC1 ZINC000110534559 600034382 /nfs/dbraw/zinc/03/43/82/600034382.db2.gz NRHQJFANKZVGDU-UHFFFAOYSA-N -1 0 338.201 3.976 20 0 EHADRM COc1cccc([C@H]2C[C@H]2C(=O)Nc2cc(C(=O)[O-])ccc2Cl)c1 ZINC000738096512 600035478 /nfs/dbraw/zinc/03/54/78/600035478.db2.gz PBHIZUYJQASRFK-ZIAGYGMSSA-N -1 0 345.782 3.789 20 0 EHADRM O=C([O-])c1ccc(N2CCCC2)c(NC(=O)CC2=CCCCC2)c1 ZINC000739218286 600036532 /nfs/dbraw/zinc/03/65/32/600036532.db2.gz HIKGCLATPPUITF-UHFFFAOYSA-N -1 0 328.412 3.814 20 0 EHADRM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237593619 600036550 /nfs/dbraw/zinc/03/65/50/600036550.db2.gz QUDVJADEURPJRL-LBPRGKRZSA-N -1 0 347.361 3.815 20 0 EHADRM Cc1ccc(NC(=O)c2ccc3[nH]c(C(F)F)nc3c2)c(C(=O)[O-])c1 ZINC000542518646 600037546 /nfs/dbraw/zinc/03/75/46/600037546.db2.gz YWZXZHXWGYGQSU-UHFFFAOYSA-N -1 0 345.305 3.759 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N(CC(=O)[O-])C(C)C)c(F)c2)cc1 ZINC000362332416 600037814 /nfs/dbraw/zinc/03/78/14/600037814.db2.gz HWKSDQUSYMSYCN-UHFFFAOYSA-N -1 0 329.371 3.736 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)C2 ZINC000326097078 600041008 /nfs/dbraw/zinc/04/10/08/600041008.db2.gz BZINVDMYWMVYTA-IINYFYTJSA-N -1 0 341.329 3.596 20 0 EHADRM Cc1oc(CN(C)C(=O)N[C@@H]2CCCC[C@H]2C(C)C)cc1C(=O)[O-] ZINC000738968285 600041779 /nfs/dbraw/zinc/04/17/79/600041779.db2.gz XVOHHTUKLPPHJJ-GOEBONIOSA-N -1 0 336.432 3.642 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1cc3c(cccc3F)s1)C2 ZINC000326363266 600044300 /nfs/dbraw/zinc/04/43/00/600044300.db2.gz SGHOHBOOFPAPNI-UHFFFAOYSA-N -1 0 341.363 3.895 20 0 EHADRM COc1ccc(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c2ccccc12 ZINC000737923624 600046493 /nfs/dbraw/zinc/04/64/93/600046493.db2.gz ZRXVGAUVPBAIAK-UHFFFAOYSA-N -1 0 347.370 3.703 20 0 EHADRM Cc1cc(C(=O)[O-])c2sc(NC(=O)C[C@H]3CCC[C@H](C)C3)nc2n1 ZINC000738340815 600049159 /nfs/dbraw/zinc/04/91/59/600049159.db2.gz BOLGYABBKWCOCN-ONGXEEELSA-N -1 0 347.440 3.853 20 0 EHADRM Cc1cn(-c2ccccc2)nc1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000738798021 600057048 /nfs/dbraw/zinc/05/70/48/600057048.db2.gz FQWFSRVPZUKFPP-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM Cc1ccccc1-n1cnnc1SCc1ccc(F)cc1C(=O)[O-] ZINC000738755536 600058146 /nfs/dbraw/zinc/05/81/46/600058146.db2.gz WXLTYKIDZXKLSU-UHFFFAOYSA-N -1 0 343.383 3.705 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)cc2F)C1 ZINC000178275235 600059292 /nfs/dbraw/zinc/05/92/92/600059292.db2.gz WSWGZCSNILENRW-CYBMUJFWSA-N -1 0 347.773 3.693 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc(F)c(Cl)nc2Cl)ccc1F ZINC000740089571 600061643 /nfs/dbraw/zinc/06/16/43/600061643.db2.gz FNHHTWYEBNPVEM-UHFFFAOYSA-N -1 0 347.104 3.617 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ccccc1SCc1ccccc1 ZINC000739553020 600062527 /nfs/dbraw/zinc/06/25/27/600062527.db2.gz LEZHPHZNOQRJJQ-ZIAGYGMSSA-N -1 0 327.405 3.638 20 0 EHADRM Cc1cccc(C[C@H](CNC(=O)c2ccc(C(C)C)cc2)C(=O)[O-])c1 ZINC000738711540 600068917 /nfs/dbraw/zinc/06/89/17/600068917.db2.gz KHTBELSRJNDSGK-LJQANCHMSA-N -1 0 339.435 3.792 20 0 EHADRM Cc1ccc(NC(=O)CCC(=O)c2ccc(F)cc2F)c(C(=O)[O-])c1 ZINC000738617613 600073406 /nfs/dbraw/zinc/07/34/06/600073406.db2.gz YIJJSMFAJALPSN-UHFFFAOYSA-N -1 0 347.317 3.573 20 0 EHADRM CCC[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000362489402 600078322 /nfs/dbraw/zinc/07/83/22/600078322.db2.gz OIECAASUVAHENF-NRUUGDAUSA-N -1 0 330.211 3.672 20 0 EHADRM Cc1cccc(N(C(C)C)S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1 ZINC000738721688 600084254 /nfs/dbraw/zinc/08/42/54/600084254.db2.gz NXFCQDLZNYYOSL-UHFFFAOYSA-N -1 0 347.436 3.605 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)[C@H]2Cc3ccccc3S2)ccc1F ZINC000740005205 600088066 /nfs/dbraw/zinc/08/80/66/600088066.db2.gz DYMVRNOFMGKXCO-CQSZACIVSA-N -1 0 332.356 3.571 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)[C@H]2CCCc3ccccc32)ccc1F ZINC000740004901 600088322 /nfs/dbraw/zinc/08/83/22/600088322.db2.gz AHPFOKNRPZRRLD-AWEZNQCLSA-N -1 0 328.343 3.974 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2coc(Br)c2)ccc1F ZINC000740013216 600088534 /nfs/dbraw/zinc/08/85/34/600088534.db2.gz ZSGCKUOIIDDXPT-UHFFFAOYSA-N -1 0 343.108 3.523 20 0 EHADRM CN(CCc1ccccc1F)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000737447109 600095664 /nfs/dbraw/zinc/09/56/64/600095664.db2.gz KMZJFUWCXNLHBE-UHFFFAOYSA-N -1 0 349.337 3.761 20 0 EHADRM O=C([O-])c1cccc(CN2CCO[C@@H](c3ccccc3Cl)C2)c1 ZINC000262946060 600102695 /nfs/dbraw/zinc/10/26/95/600102695.db2.gz AFPIICWVYJAMPM-QGZVFWFLSA-N -1 0 331.799 3.612 20 0 EHADRM C[C@H](OC(=O)c1ccc(Cl)c(Cl)c1O)c1ccc(C(=O)[O-])o1 ZINC000736692982 600109123 /nfs/dbraw/zinc/10/91/23/600109123.db2.gz ZWEYWIOCCFMCFM-LURJTMIESA-N -1 0 345.134 3.908 20 0 EHADRM O=C([O-])CSCCc1nc(-c2ccc(-c3ccccc3)cc2)no1 ZINC000739868277 600110927 /nfs/dbraw/zinc/11/09/27/600110927.db2.gz PINZHQUNZLHDIV-UHFFFAOYSA-N -1 0 340.404 3.764 20 0 EHADRM CCOc1ccc(NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c(C)c1 ZINC000737202356 600113794 /nfs/dbraw/zinc/11/37/94/600113794.db2.gz CYJMDQXTOKCTTO-UHFFFAOYSA-N -1 0 340.379 3.640 20 0 EHADRM O=C([O-])c1ccc(-c2noc(COc3ccc4c(c3)CCC4)n2)cc1 ZINC000740101249 600114071 /nfs/dbraw/zinc/11/40/71/600114071.db2.gz BXJAEXUHKIAJQI-UHFFFAOYSA-N -1 0 336.347 3.503 20 0 EHADRM O=C([O-])c1ccc(-c2noc(CCCOCc3ccccc3)n2)cc1 ZINC000740101628 600115121 /nfs/dbraw/zinc/11/51/21/600115121.db2.gz PJEYYRALYSYXQQ-UHFFFAOYSA-N -1 0 338.363 3.584 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)Nc1ccc3scnc3c1)C2 ZINC000740199413 600115276 /nfs/dbraw/zinc/11/52/76/600115276.db2.gz NFJZHDZJOISHAT-UHFFFAOYSA-N -1 0 339.376 3.542 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)c1c[nH]cc1-c1ccccc1 ZINC000740077570 600115414 /nfs/dbraw/zinc/11/54/14/600115414.db2.gz LQODMQWAXBNQNA-UHFFFAOYSA-N -1 0 339.322 3.876 20 0 EHADRM Cc1cccc2[nH]cc(CC(=O)O[C@@H](C)c3ccc(C(=O)[O-])o3)c21 ZINC000738745994 600118950 /nfs/dbraw/zinc/11/89/50/600118950.db2.gz AMOAJTBBGRDTGM-NSHDSACASA-N -1 0 327.336 3.614 20 0 EHADRM CC[C@H](C)[C@@H](C)NC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000736870978 600124083 /nfs/dbraw/zinc/12/40/83/600124083.db2.gz MSZLPFAEBSMLFN-QWHCGFSZSA-N -1 0 338.473 3.951 20 0 EHADRM O=C([O-])c1cccc(CN2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c1 ZINC000263441210 600141234 /nfs/dbraw/zinc/14/12/34/600141234.db2.gz DOSGFHWELUSIDA-KRWDZBQOSA-N -1 0 349.789 3.751 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000238035557 600141359 /nfs/dbraw/zinc/14/13/59/600141359.db2.gz WUEYQVUMWJUTGC-DYEKYZERSA-N -1 0 342.222 3.563 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)c2sccc2SC(F)F)cc1 ZINC000739883035 600142960 /nfs/dbraw/zinc/14/29/60/600142960.db2.gz CDVSENNFFIPEDB-UHFFFAOYSA-N -1 0 344.360 3.909 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000262285850 600143483 /nfs/dbraw/zinc/14/34/83/600143483.db2.gz MIIFYIOXHBYIPL-CQSZACIVSA-N -1 0 341.407 3.530 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000432009813 600143489 /nfs/dbraw/zinc/14/34/89/600143489.db2.gz YUFANQRWMTYJCL-OAHLLOKOSA-N -1 0 347.455 3.558 20 0 EHADRM C[C@@H]1C[C@H](CC(=O)OCC(=O)c2cc(C(=O)[O-])co2)CC(C)(C)C1 ZINC000736755680 600144216 /nfs/dbraw/zinc/14/42/16/600144216.db2.gz OQSYJVJPTRVBAV-VXGBXAGGSA-N -1 0 336.384 3.556 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000738126039 600145246 /nfs/dbraw/zinc/14/52/46/600145246.db2.gz QMWBRPMIUOLFIQ-CQSZACIVSA-N -1 0 341.407 3.909 20 0 EHADRM Cc1sc2ncnc(SCC(=O)c3cc(C(=O)[O-])co3)c2c1C ZINC000738995401 600146858 /nfs/dbraw/zinc/14/68/58/600146858.db2.gz ADEVZABJSDTBCC-UHFFFAOYSA-N -1 0 348.405 3.574 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1sccc1SC(F)F)c1cccs1 ZINC000739369814 600147753 /nfs/dbraw/zinc/14/77/53/600147753.db2.gz BLJOGLNNXXBHFG-MRVPVSSYSA-N -1 0 349.405 3.680 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000738125479 600147973 /nfs/dbraw/zinc/14/79/73/600147973.db2.gz DDBNGDNBVCCLMI-GFCCVEGCSA-N -1 0 345.370 3.740 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)/C=C/c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000738554674 600156018 /nfs/dbraw/zinc/15/60/18/600156018.db2.gz SPEXCJSQMIPNRW-SCBHQAGPSA-N -1 0 343.810 3.646 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000486385541 600163608 /nfs/dbraw/zinc/16/36/08/600163608.db2.gz HZWVGGBCEVISRY-DNVCBOLYSA-N -1 0 339.435 3.646 20 0 EHADRM Cc1ccc([C@H](CNC(=O)Nc2nc(C(C)C)cs2)C(=O)[O-])cc1 ZINC000738558625 600173336 /nfs/dbraw/zinc/17/33/36/600173336.db2.gz FECGVTSTTLSITN-ZDUSSCGKSA-N -1 0 347.440 3.565 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000738125629 600175753 /nfs/dbraw/zinc/17/57/53/600175753.db2.gz HSHXAAVRQRHAOI-OLZOCXBDSA-N -1 0 346.379 3.860 20 0 EHADRM Cc1ccc(C[C@@H]2CCCN2C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000738590038 600178204 /nfs/dbraw/zinc/17/82/04/600178204.db2.gz YYGZNOZNGRQYCE-SFHVURJKSA-N -1 0 338.407 3.932 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c(C)c1)C(C)C ZINC000738442158 600183778 /nfs/dbraw/zinc/18/37/78/600183778.db2.gz NMVDDAZDHFZFTC-INIZCTEOSA-N -1 0 341.411 3.915 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)NCCCCCCC(=O)[O-] ZINC000736761674 600185717 /nfs/dbraw/zinc/18/57/17/600185717.db2.gz PAAGZXWNHBHANP-NVXWUHKLSA-N -1 0 332.444 3.609 20 0 EHADRM Cc1oc(CN(C)C(=O)N[C@@H](C)c2cccc(C)c2C)cc1C(=O)[O-] ZINC000738693121 600191392 /nfs/dbraw/zinc/19/13/92/600191392.db2.gz SMIOQQWQHAKROC-ZDUSSCGKSA-N -1 0 344.411 3.806 20 0 EHADRM O=C([O-])CN(C(=O)c1[nH]c2ccccc2c1Cl)c1ccccc1 ZINC000739785041 600198101 /nfs/dbraw/zinc/19/81/01/600198101.db2.gz YRPAVGNNKLIESN-UHFFFAOYSA-N -1 0 328.755 3.553 20 0 EHADRM O=C([O-])c1ccc(Cl)cc1OC(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000739337791 600202760 /nfs/dbraw/zinc/20/27/60/600202760.db2.gz FUNALROTBZFCMR-UHFFFAOYSA-N -1 0 347.729 3.807 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2c[nH]c(-c3ccccc3)n2)c1 ZINC000740072812 600203520 /nfs/dbraw/zinc/20/35/20/600203520.db2.gz SAGALOIAVMUWAV-UHFFFAOYSA-N -1 0 341.754 3.681 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000237498407 600206679 /nfs/dbraw/zinc/20/66/79/600206679.db2.gz NXTINFYBNHZJLI-CQSZACIVSA-N -1 0 327.380 3.591 20 0 EHADRM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cccc(C(=O)[O-])c1 ZINC000736903484 600211009 /nfs/dbraw/zinc/21/10/09/600211009.db2.gz JXCLQAZGVPNVHS-MRXNPFEDSA-N -1 0 331.799 3.789 20 0 EHADRM CCOc1ccccc1NC(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000737217172 600230639 /nfs/dbraw/zinc/23/06/39/600230639.db2.gz FULMDNFSFGCETN-UHFFFAOYSA-N -1 0 329.356 3.844 20 0 EHADRM CCOc1ccc(OC)cc1NC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000737204249 600234793 /nfs/dbraw/zinc/23/47/93/600234793.db2.gz WJWJPMNTAQFPRD-UHFFFAOYSA-N -1 0 345.355 3.828 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)N2CCC[C@H]2c2ccco2)cc1 ZINC000737333566 600241039 /nfs/dbraw/zinc/24/10/39/600241039.db2.gz XWSZOZXPRNUEAW-AWEZNQCLSA-N -1 0 329.356 3.763 20 0 EHADRM CCCC(C)(C)NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736954212 600241934 /nfs/dbraw/zinc/24/19/34/600241934.db2.gz HGQYBDKDPSEWJB-UHFFFAOYSA-N -1 0 330.331 3.686 20 0 EHADRM CCOc1ncc(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)cc1Cl ZINC000737220280 600245726 /nfs/dbraw/zinc/24/57/26/600245726.db2.gz KZRYIUYIEWTHCL-UHFFFAOYSA-N -1 0 345.742 3.549 20 0 EHADRM O=C([O-])c1ccc(-c2noc(C[C@@H]3CCc4ccccc4C3)n2)cc1 ZINC000740101430 600245769 /nfs/dbraw/zinc/24/57/69/600245769.db2.gz LHZKIKLRMVMBEO-CYBMUJFWSA-N -1 0 334.375 3.782 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)CCc1ccc(Cl)s1 ZINC000738083409 600247993 /nfs/dbraw/zinc/24/79/93/600247993.db2.gz BHKJNDZJYAMAGE-UHFFFAOYSA-N -1 0 340.784 3.647 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC000738084284 600248330 /nfs/dbraw/zinc/24/83/30/600248330.db2.gz GEOZMKPPMDDTMK-LLVKDONJSA-N -1 0 332.327 3.632 20 0 EHADRM Cc1c(Cl)cccc1NC(=S)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000738291338 600248344 /nfs/dbraw/zinc/24/83/44/600248344.db2.gz QNPDZMNQRNOGJO-LLVKDONJSA-N -1 0 338.860 3.532 20 0 EHADRM CN(CCCC(=O)O[C@H]1CCCC[C@@H]1c1ccc(F)cc1)C(=O)[O-] ZINC000737432767 600250413 /nfs/dbraw/zinc/25/04/13/600250413.db2.gz FIMTUJHBIZXTDW-CVEARBPZSA-N -1 0 337.391 3.785 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)CCc1cc(Cl)cs1 ZINC000739250928 600252007 /nfs/dbraw/zinc/25/20/07/600252007.db2.gz ABORQQKTJVZGHL-UHFFFAOYSA-N -1 0 327.764 3.810 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c(C(=O)[O-])[nH]1 ZINC000317705386 600253553 /nfs/dbraw/zinc/25/35/53/600253553.db2.gz HSJBVRZVIWZDGN-SECBINFHSA-N -1 0 338.816 3.794 20 0 EHADRM Cc1cc(F)cc2[nH]c(C(=O)Nc3cc(C(=O)[O-])ccc3C)cc21 ZINC000120202450 600254321 /nfs/dbraw/zinc/25/43/21/600254321.db2.gz RIXJLVLXPXHPBY-UHFFFAOYSA-N -1 0 326.327 3.874 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N3[C@@H]4CCCC[C@@H]4C[C@H]3C(=O)[O-])cc2c1C ZINC000262615096 600255248 /nfs/dbraw/zinc/25/52/48/600255248.db2.gz LTSQOHAVSPDYTK-XWIAVFTESA-N -1 0 340.423 3.643 20 0 EHADRM Cc1cc(F)cc2[nH]c(C(=O)Nc3cccc(C(=O)[O-])c3C)cc21 ZINC000675967389 600255346 /nfs/dbraw/zinc/25/53/46/600255346.db2.gz ZYKYESSZBKTVEG-UHFFFAOYSA-N -1 0 326.327 3.874 20 0 EHADRM Cc1ccccc1C1(C(=O)NCCSCCC(=O)[O-])CCCCC1 ZINC000738761273 600255739 /nfs/dbraw/zinc/25/57/39/600255739.db2.gz RRWNFTSFABHBLY-UHFFFAOYSA-N -1 0 349.496 3.521 20 0 EHADRM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000237356282 600258830 /nfs/dbraw/zinc/25/88/30/600258830.db2.gz UHGSPWSSLQJQPR-PWSUYJOCSA-N -1 0 333.384 3.604 20 0 EHADRM CC(C)[C@H](Sc1ccccc1)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000531999957 600267373 /nfs/dbraw/zinc/26/73/73/600267373.db2.gz KCUADLUTAHXDJD-CVEARBPZSA-N -1 0 347.480 3.517 20 0 EHADRM COc1ccccc1-c1cccc(NC(=O)c2cccc(C(=O)[O-])n2)c1 ZINC000362492454 600268697 /nfs/dbraw/zinc/26/86/97/600268697.db2.gz MEXJDGSAPYDCKJ-UHFFFAOYSA-N -1 0 348.358 3.708 20 0 EHADRM CCc1ccc(CCNC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000737260409 600277376 /nfs/dbraw/zinc/27/73/76/600277376.db2.gz KWYCOZJDLGJYFE-UHFFFAOYSA-N -1 0 345.374 3.842 20 0 EHADRM CC(=O)Nc1cccc(CSc2nc3ccc(C(=O)[O-])cc3o2)c1 ZINC000736166713 600277852 /nfs/dbraw/zinc/27/78/52/600277852.db2.gz AKNOQXCNCFWPOL-UHFFFAOYSA-N -1 0 342.376 3.777 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)c2ccccc2n1 ZINC000738336112 600281887 /nfs/dbraw/zinc/28/18/87/600281887.db2.gz XHELECNQMYQCEW-UHFFFAOYSA-N -1 0 349.390 3.905 20 0 EHADRM CCN(Cc1noc(CCCC(=O)[O-])n1)c1cccc2ccccc21 ZINC000737107791 600284834 /nfs/dbraw/zinc/28/48/34/600284834.db2.gz KTSPDOOLIOLCDJ-UHFFFAOYSA-N -1 0 339.395 3.657 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736903989 600288804 /nfs/dbraw/zinc/28/88/04/600288804.db2.gz NINPBBDFXJYMPV-INIZCTEOSA-N -1 0 326.396 3.662 20 0 EHADRM CC[C@H](CC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccccc1 ZINC000736893447 600289475 /nfs/dbraw/zinc/28/94/75/600289475.db2.gz ZSWCTFSBFAYXGC-OAHLLOKOSA-N -1 0 326.396 3.977 20 0 EHADRM O=C([O-])CCCc1nc(CN2CCCCC[C@@H]2c2ccccc2)no1 ZINC000652403594 600290429 /nfs/dbraw/zinc/29/04/29/600290429.db2.gz ZRQKZRWFKAQSQO-MRXNPFEDSA-N -1 0 343.427 3.594 20 0 EHADRM C[C@H]1CCc2sc(C(=O)Nc3ccc(CNC(=O)[O-])cc3)cc2C1 ZINC000736805600 600295083 /nfs/dbraw/zinc/29/50/83/600295083.db2.gz PVWMWTYFKNCICJ-NSHDSACASA-N -1 0 344.436 3.893 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)c2cccn2Cc2ccccc2)cc1 ZINC000739991428 600309135 /nfs/dbraw/zinc/30/91/35/600309135.db2.gz HKCAESHYDMERSW-UHFFFAOYSA-N -1 0 349.390 3.556 20 0 EHADRM C[S@](=O)Cc1ccc(Cl)c(NCc2cccc(C(=O)[O-])c2)c1 ZINC000738179096 600317016 /nfs/dbraw/zinc/31/70/16/600317016.db2.gz ICIMFTQYRFYEFG-QFIPXVFZSA-N -1 0 337.828 3.529 20 0 EHADRM O=C([O-])[C@@H](OC(=O)[C@@H]1Cc2ccccc2S1)c1cccc(Cl)c1 ZINC000740290343 600322851 /nfs/dbraw/zinc/32/28/51/600322851.db2.gz IOIUVHFDGIHKII-GJZGRUSLSA-N -1 0 348.807 3.726 20 0 EHADRM Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(CNC(=O)[O-])cc2)cc1C ZINC000738615430 600328624 /nfs/dbraw/zinc/32/86/24/600328624.db2.gz MHBIZYOMQNMMSL-CQSZACIVSA-N -1 0 341.411 3.510 20 0 EHADRM CS[C@H]1CCC[C@H](NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000738181566 600339572 /nfs/dbraw/zinc/33/95/72/600339572.db2.gz LPVQJEOCIZREOM-ONGXEEELSA-N -1 0 341.408 3.711 20 0 EHADRM CN(Cc1ccc(NC(=O)N(C)C2CCCCCC2)cc1)C(=O)[O-] ZINC000737479716 600345190 /nfs/dbraw/zinc/34/51/90/600345190.db2.gz XUIHFABUTNEONO-UHFFFAOYSA-N -1 0 333.432 3.983 20 0 EHADRM CN(Cc1ccc(NC(=O)N2CCC[C@H]2C2CCC2)cc1)C(=O)[O-] ZINC000737484501 600345426 /nfs/dbraw/zinc/34/54/26/600345426.db2.gz YLPDRUWBCXLMSM-INIZCTEOSA-N -1 0 331.416 3.593 20 0 EHADRM CN(Cc1ccc(NC(=O)NC/C=C\c2ccccc2)cc1)C(=O)[O-] ZINC000737481346 600346354 /nfs/dbraw/zinc/34/63/54/600346354.db2.gz FCWYTNPKTYHIOR-YVMONPNESA-N -1 0 339.395 3.631 20 0 EHADRM Cc1ccc([C@@H](C)N(C)C(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000738550798 600349392 /nfs/dbraw/zinc/34/93/92/600349392.db2.gz IPOAGHNQCBKZIZ-CQSZACIVSA-N -1 0 341.411 3.988 20 0 EHADRM CC(C)(C)C1CCN(C(=O)Nc2ccc(CNC(=O)[O-])cc2)CC1 ZINC000736250219 600354553 /nfs/dbraw/zinc/35/45/53/600354553.db2.gz IDXBHTKFMYBBFQ-UHFFFAOYSA-N -1 0 333.432 3.744 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)Nc1ccc(CNC(=O)[O-])cc1)CC2 ZINC000738669198 600357062 /nfs/dbraw/zinc/35/70/62/600357062.db2.gz CTCJSRCJKCYEOK-KRWDZBQOSA-N -1 0 339.395 3.572 20 0 EHADRM CC(C)[C@H]1CCC[C@H](NC(=O)Nc2ccc(CNC(=O)[O-])cc2)C1 ZINC000736393767 600357421 /nfs/dbraw/zinc/35/74/21/600357421.db2.gz ADPPWWDLQZVFSL-HOCLYGCPSA-N -1 0 333.432 3.791 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)C2(c3cccs3)CCCCC2)cc1 ZINC000238106444 600366601 /nfs/dbraw/zinc/36/66/01/600366601.db2.gz GTHCHDOYUAAXDS-UHFFFAOYSA-N -1 0 343.448 3.965 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000736624863 600367247 /nfs/dbraw/zinc/36/72/47/600367247.db2.gz BWGSHPMJOAAITL-JTQLQIEISA-N -1 0 347.411 3.891 20 0 EHADRM Cc1cc(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)sc1C(=O)[O-] ZINC000738234107 600371515 /nfs/dbraw/zinc/37/15/15/600371515.db2.gz HAWRKSOYWSWCEW-UWVGGRQHSA-N -1 0 337.347 3.775 20 0 EHADRM Cc1cc(NC(=O)Cc2ccccc2OC(F)F)sc1C(=O)[O-] ZINC000738238922 600372062 /nfs/dbraw/zinc/37/20/62/600372062.db2.gz XBEPRLHFKSGFBW-UHFFFAOYSA-N -1 0 341.335 3.537 20 0 EHADRM Cc1cc(NC(=O)c2cnc(-c3ccco3)s2)sc1C(=O)[O-] ZINC000738238810 600372716 /nfs/dbraw/zinc/37/27/16/600372716.db2.gz DQIJFLYUJJQNCA-UHFFFAOYSA-N -1 0 334.378 3.724 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)c1coc(-c2ccccc2)n1 ZINC000740242788 600374891 /nfs/dbraw/zinc/37/48/91/600374891.db2.gz UZLFKDRXQFZAKX-UHFFFAOYSA-N -1 0 348.358 3.633 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)CC/C=C/c2ccccc2)cc1 ZINC000238200412 600376809 /nfs/dbraw/zinc/37/68/09/600376809.db2.gz SCMLOGUKOVSOIA-XBXARRHUSA-N -1 0 339.391 3.972 20 0 EHADRM CCCNc1nnc(S[C@H](C(=O)[O-])c2cccc(Cl)c2)s1 ZINC000737029246 600377832 /nfs/dbraw/zinc/37/78/32/600377832.db2.gz FJEVQRJDUWLODW-JTQLQIEISA-N -1 0 343.861 3.931 20 0 EHADRM C[C@H](C(=O)Nc1cccc(CSCC(=O)[O-])c1)c1cccs1 ZINC000237458622 600377973 /nfs/dbraw/zinc/37/79/73/600377973.db2.gz VZBDCQYFJVVDBN-NSHDSACASA-N -1 0 335.450 3.808 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1ccc(C)c(OC)c1)c1ccccc1 ZINC000736850591 600380004 /nfs/dbraw/zinc/38/00/04/600380004.db2.gz BHSUPANPILFUII-MRXNPFEDSA-N -1 0 327.380 3.514 20 0 EHADRM O=C([O-])c1cc(NC(=O)NC[C@H]2CCc3ccccc32)ccc1Cl ZINC000739413974 600380770 /nfs/dbraw/zinc/38/07/70/600380770.db2.gz GISKQIHVTSLPSS-GFCCVEGCSA-N -1 0 344.798 3.890 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc3cc(F)ccc3o2)c(F)cc1F ZINC000739458233 600382179 /nfs/dbraw/zinc/38/21/79/600382179.db2.gz IXDAGSDDPLLDPV-UHFFFAOYSA-N -1 0 335.237 3.801 20 0 EHADRM CC(C)Oc1ccc(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000736495067 600384389 /nfs/dbraw/zinc/38/43/89/600384389.db2.gz VDCQZGVLUCFPGO-UHFFFAOYSA-N -1 0 346.358 3.633 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)CCc1ccccc1C)c1ccccc1 ZINC000736850572 600384882 /nfs/dbraw/zinc/38/48/82/600384882.db2.gz BAIFATQHEGMCSL-SFHVURJKSA-N -1 0 325.408 3.824 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1cncc2ccccc21)c1ccccc1 ZINC000736850466 600385013 /nfs/dbraw/zinc/38/50/13/600385013.db2.gz IXKGTXNKCPVTAN-SFHVURJKSA-N -1 0 334.375 3.745 20 0 EHADRM Cc1cccc(C(C)(C)CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC000738693618 600385521 /nfs/dbraw/zinc/38/55/21/600385521.db2.gz TZAPJMJQWBYAPF-UHFFFAOYSA-N -1 0 344.386 3.932 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@H](C)Cc1ccccc1)c1ccccc1 ZINC000736850997 600385610 /nfs/dbraw/zinc/38/56/10/600385610.db2.gz ZTAUHKJCMZUCEK-QAPCUYQASA-N -1 0 325.408 3.762 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)CCc2ccccc2Cl)cc1 ZINC000740017395 600386719 /nfs/dbraw/zinc/38/67/19/600386719.db2.gz MWXPYMKQKXSOKM-UHFFFAOYSA-N -1 0 346.814 3.721 20 0 EHADRM CCc1cccc(OCC(=O)N(c2ccccc2)[C@H](CC)C(=O)[O-])c1 ZINC000737270358 600388164 /nfs/dbraw/zinc/38/81/64/600388164.db2.gz QOFSYNOFTSJTEY-GOSISDBHSA-N -1 0 341.407 3.524 20 0 EHADRM CCOc1ccc(C(=O)N(c2ccccc2)[C@H](CC)C(=O)[O-])cc1 ZINC000737194459 600388724 /nfs/dbraw/zinc/38/87/24/600388724.db2.gz JMHBOBQFMTZXHO-QGZVFWFLSA-N -1 0 327.380 3.595 20 0 EHADRM CCCOc1cccc(C(=O)N(c2ccccc2)[C@H](CC)C(=O)[O-])c1 ZINC000737034233 600388935 /nfs/dbraw/zinc/38/89/35/600388935.db2.gz FBQCYNJVLJGJPT-GOSISDBHSA-N -1 0 341.407 3.985 20 0 EHADRM CC[C@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1F ZINC000236997522 600389430 /nfs/dbraw/zinc/38/94/30/600389430.db2.gz IJVGSTUIBXYHFV-KRWDZBQOSA-N -1 0 347.361 3.863 20 0 EHADRM C[C@H]1c2ccccc2CCN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000736840324 600401246 /nfs/dbraw/zinc/40/12/46/600401246.db2.gz MAJDAQAJEXJNHY-NSHDSACASA-N -1 0 328.343 3.675 20 0 EHADRM CC(C)N(Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000302992884 600403012 /nfs/dbraw/zinc/40/30/12/600403012.db2.gz RZPPVRFTJCMKIL-UHFFFAOYSA-N -1 0 330.359 3.966 20 0 EHADRM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCO[C@H](c2ccccc2F)C1 ZINC000576522237 600403334 /nfs/dbraw/zinc/40/33/34/600403334.db2.gz BNHXYJKNWZUDMK-IRXDYDNUSA-N -1 0 349.789 3.678 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCCC2CCCC2)c(OC(F)F)c1 ZINC000739415032 600406383 /nfs/dbraw/zinc/40/63/83/600406383.db2.gz AXVOYXSWTKLKKL-UHFFFAOYSA-N -1 0 342.342 3.688 20 0 EHADRM CC(C)CC[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736427905 600406724 /nfs/dbraw/zinc/40/67/24/600406724.db2.gz GVPDVDGGIIHVJR-SNVBAGLBSA-N -1 0 344.358 3.932 20 0 EHADRM C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736787258 600408331 /nfs/dbraw/zinc/40/83/31/600408331.db2.gz YIZPARWZZFOFKA-KOLCDFICSA-N -1 0 342.342 3.686 20 0 EHADRM CC(C)(C)/C=C/C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000736252371 600409025 /nfs/dbraw/zinc/40/90/25/600409025.db2.gz XKQKYUWSCZAWBT-VOTSOKGWSA-N -1 0 345.317 3.867 20 0 EHADRM Cc1ccc2cc(C(=O)NCCc3ccc(NC(=O)[O-])cc3)[nH]c2c1 ZINC000738674882 600411135 /nfs/dbraw/zinc/41/11/35/600411135.db2.gz FLMMJXFXANCDRG-UHFFFAOYSA-N -1 0 337.379 3.539 20 0 EHADRM CC[C@@H]1c2ccccc2CCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000678993150 600411683 /nfs/dbraw/zinc/41/16/83/600411683.db2.gz XKZZGAWWZZJBEC-LJQANCHMSA-N -1 0 337.419 3.853 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000485798957 600414025 /nfs/dbraw/zinc/41/40/25/600414025.db2.gz UMWJHPKZFDSCKA-IAGOWNOFSA-N -1 0 349.446 3.792 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)CCCSc1ccc(Cl)cc1 ZINC000236822848 600418059 /nfs/dbraw/zinc/41/80/59/600418059.db2.gz XFHMAQMDQDGUTL-UHFFFAOYSA-N -1 0 343.876 3.972 20 0 EHADRM CC(=O)Nc1ccc(N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1Cl ZINC000736160469 600418775 /nfs/dbraw/zinc/41/87/75/600418775.db2.gz ZHOTWPSNWQULLZ-HNNXBMFYSA-N -1 0 336.750 3.675 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)C[C@@H]1CCc2ccccc2C1 ZINC000739220846 600426867 /nfs/dbraw/zinc/42/68/67/600426867.db2.gz CZDQEEVOUYYZLV-GFCCVEGCSA-N -1 0 327.355 3.658 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)c2ccc3c(c2)-c2ccccc2C3)c1 ZINC000740244110 600435212 /nfs/dbraw/zinc/43/52/12/600435212.db2.gz DSSHIERIUIHWFB-UHFFFAOYSA-N -1 0 330.343 3.603 20 0 EHADRM Cc1[nH]c2ccc(C(=O)O[C@H](C(=O)[O-])c3ccc(F)cc3)cc2c1C ZINC000738246860 600443538 /nfs/dbraw/zinc/44/35/38/600443538.db2.gz OWMLDTPNPWAXHB-KRWDZBQOSA-N -1 0 341.338 3.907 20 0 EHADRM O=C([O-])c1cc(OCc2cc(-c3ccccc3)on2)ccc1[N+](=O)[O-] ZINC000328082197 600443653 /nfs/dbraw/zinc/44/36/53/600443653.db2.gz SPIOLKGKVGZYHU-UHFFFAOYSA-N -1 0 340.291 3.527 20 0 EHADRM O=C([O-])[C@H](OC(=O)/C=C\c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000739217280 600445336 /nfs/dbraw/zinc/44/53/36/600445336.db2.gz YJXWTKFQNUTPSD-BPAYBPMLSA-N -1 0 334.730 3.861 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)c1cccc(OCC(=O)[O-])c1)C(C)C ZINC000539575656 600449846 /nfs/dbraw/zinc/44/98/46/600449846.db2.gz NGHSYTWZLRFTDZ-LJQANCHMSA-N -1 0 341.407 3.586 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)s1 ZINC000738465608 600454699 /nfs/dbraw/zinc/45/46/99/600454699.db2.gz VBIRCSHKGPSBQG-ZETCQYMHSA-N -1 0 346.307 3.867 20 0 EHADRM Cc1cccc2[nH]cc(CC(=O)O[C@H](C(=O)[O-])c3ccc(F)cc3)c21 ZINC000738746609 600455907 /nfs/dbraw/zinc/45/59/07/600455907.db2.gz IEVLDFPYLMAFET-SFHVURJKSA-N -1 0 341.338 3.527 20 0 EHADRM CC[C@@H](NC(=O)NC1CCC(C(=O)[O-])CC1)c1ccc(Cl)s1 ZINC000263266157 600457246 /nfs/dbraw/zinc/45/72/46/600457246.db2.gz RBKYXGDUSTZJCL-VQXHTEKXSA-N -1 0 344.864 3.795 20 0 EHADRM C[C@H](CCC(C)(C)C)NC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736562776 600460042 /nfs/dbraw/zinc/46/00/42/600460042.db2.gz NBBIUIVLBUZMAZ-CYBMUJFWSA-N -1 0 335.448 3.833 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)C(C)C ZINC000738759472 600465867 /nfs/dbraw/zinc/46/58/67/600465867.db2.gz YNKMRVXYEROUCZ-SFHVURJKSA-N -1 0 340.423 3.890 20 0 EHADRM Cc1c2ccccc2oc1[C@H](NC(=O)N1CC[C@H](C(=O)[O-])C1)C(C)C ZINC000263295667 600470371 /nfs/dbraw/zinc/47/03/71/600470371.db2.gz WAVIRDAAXODYBL-XJKSGUPXSA-N -1 0 344.411 3.554 20 0 EHADRM Cc1c2ccccc2oc1[C@H](NC(=O)NCCCCC(=O)[O-])C(C)C ZINC000666527706 600470385 /nfs/dbraw/zinc/47/03/85/600470385.db2.gz YQNWJWPMYJYBTO-QGZVFWFLSA-N -1 0 346.427 3.992 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C[C@@H]2OCCc3ccccc32)cc1Cl ZINC000238169916 600477021 /nfs/dbraw/zinc/47/70/21/600477021.db2.gz NRAWJEUZQQARSW-INIZCTEOSA-N -1 0 345.782 3.681 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000736904634 600477378 /nfs/dbraw/zinc/47/73/78/600477378.db2.gz VSFGVNPSJCNYHB-HUUCEWRRSA-N -1 0 331.437 3.649 20 0 EHADRM CC[C@H](C)[C@@H]1CCCCN1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000736880368 600479858 /nfs/dbraw/zinc/47/98/58/600479858.db2.gz OYGHSURONSUOPZ-YOEHRIQHSA-N -1 0 348.443 3.973 20 0 EHADRM CCC(=O)Nc1cccc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000236822236 600480056 /nfs/dbraw/zinc/48/00/56/600480056.db2.gz JJMMWVNZCBBQTJ-UHFFFAOYSA-N -1 0 346.770 3.639 20 0 EHADRM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000237659838 600480113 /nfs/dbraw/zinc/48/01/13/600480113.db2.gz BHFSEBBLTSKHLM-NSHDSACASA-N -1 0 333.771 3.753 20 0 EHADRM CC(C)(C(=O)Nc1ccc(OCCCC(=O)[O-])cc1)c1ccccc1 ZINC000236727961 600481344 /nfs/dbraw/zinc/48/13/44/600481344.db2.gz BPXWPFWBGJRAIX-UHFFFAOYSA-N -1 0 341.407 3.847 20 0 EHADRM CC[C@H](C)[C@@H]1CCCCN1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736879970 600483625 /nfs/dbraw/zinc/48/36/25/600483625.db2.gz JRNWSJHXJKEJNX-BBRMVZONSA-N -1 0 333.432 3.887 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(-c3ccco3)on2)cc1Cl ZINC000238187264 600486298 /nfs/dbraw/zinc/48/62/98/600486298.db2.gz DTWWELQMKIOLOI-UHFFFAOYSA-N -1 0 332.699 3.539 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000263097539 600488379 /nfs/dbraw/zinc/48/83/79/600488379.db2.gz WDQNHQWCQIRICR-CVEARBPZSA-N -1 0 332.444 3.670 20 0 EHADRM Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[O-] ZINC000738757793 600496942 /nfs/dbraw/zinc/49/69/42/600496942.db2.gz DZDTYXFBYUOZIN-DLBZAZTESA-N -1 0 334.460 3.881 20 0 EHADRM CC(C)c1ccc2cc(C(=O)NCc3ccc(C(=O)[O-])o3)[nH]c2c1 ZINC000736521719 600497134 /nfs/dbraw/zinc/49/71/34/600497134.db2.gz SIPBNNKFQWSOIN-UHFFFAOYSA-N -1 0 326.352 3.513 20 0 EHADRM CC(C)[C@H]1CCCCN1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736396446 600498317 /nfs/dbraw/zinc/49/83/17/600498317.db2.gz VISNCWNAKZKDSX-MRXNPFEDSA-N -1 0 333.432 3.539 20 0 EHADRM C[C@@H]1CCCC[C@H]1N(C)C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736784348 600498695 /nfs/dbraw/zinc/49/86/95/600498695.db2.gz IDLQYFZMIDBLJE-CZUORRHYSA-N -1 0 333.432 3.539 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C ZINC000738533655 600502564 /nfs/dbraw/zinc/50/25/64/600502564.db2.gz QQTAHXFYGFBFCE-GDBMZVCRSA-N -1 0 348.443 3.656 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2ccccc2OC2CCC2)cc1 ZINC000740135032 600505222 /nfs/dbraw/zinc/50/52/22/600505222.db2.gz WFWXOAHLMMEWIP-UHFFFAOYSA-N -1 0 326.348 3.673 20 0 EHADRM CC(C)(CNC(=O)Nc1cc(C(=O)[O-])ccc1F)c1cccc(F)c1 ZINC000736322522 600505483 /nfs/dbraw/zinc/50/54/83/600505483.db2.gz ZTGZSPMWVBTEAW-UHFFFAOYSA-N -1 0 348.349 3.762 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCC[C@@H]2c2ccccn2)cc1Cl ZINC000740145677 600510261 /nfs/dbraw/zinc/51/02/61/600510261.db2.gz DUKONTVMLVRDNB-OAHLLOKOSA-N -1 0 345.786 3.802 20 0 EHADRM CC(C)N(Cc1ccccn1)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736471660 600512046 /nfs/dbraw/zinc/51/20/46/600512046.db2.gz KNOGXDUBLNHSRM-UHFFFAOYSA-N -1 0 346.362 3.753 20 0 EHADRM O=C([O-])c1ccc(C(=O)OCc2cnc(-c3cccs3)o2)s1 ZINC000740122336 600512576 /nfs/dbraw/zinc/51/25/76/600512576.db2.gz ZTYGCULWELWNAT-UHFFFAOYSA-N -1 0 335.362 3.520 20 0 EHADRM CCC(CC)N(CCOC)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000321458927 600516245 /nfs/dbraw/zinc/51/62/45/600516245.db2.gz INQSXTAYGUNQHL-UHFFFAOYSA-N -1 0 342.823 3.707 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)Cc1coc2ccc3ccccc3c12)C(=O)[O-] ZINC000675986743 600520618 /nfs/dbraw/zinc/52/06/18/600520618.db2.gz NGPMWFMXWRDOGH-SFHVURJKSA-N -1 0 339.391 3.744 20 0 EHADRM Cc1cccc([C@@H](C)C(=O)Nc2ccc(OCCC(=O)[O-])cc2)c1 ZINC000237492813 600525011 /nfs/dbraw/zinc/52/50/11/600525011.db2.gz GKYHAWVATYUAIQ-CQSZACIVSA-N -1 0 327.380 3.591 20 0 EHADRM C/C(=C/C(=O)N[C@H](C(=O)[O-])C(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC000736122280 600529002 /nfs/dbraw/zinc/52/90/02/600529002.db2.gz YZZUKXDJTQAZHQ-CFYYFVFUSA-N -1 0 343.345 3.724 20 0 EHADRM CCN(C(=O)CCc1cccc(F)c1F)c1ccccc1C(=O)[O-] ZINC000737053192 600532154 /nfs/dbraw/zinc/53/21/54/600532154.db2.gz NRVVZLVJGSAXKW-UHFFFAOYSA-N -1 0 333.334 3.649 20 0 EHADRM CCN(C(=O)CSCc1cccc(C)c1)c1ccccc1C(=O)[O-] ZINC000737060043 600532376 /nfs/dbraw/zinc/53/23/76/600532376.db2.gz FTVVYJCSSVRAEX-UHFFFAOYSA-N -1 0 343.448 3.980 20 0 EHADRM C[C@H](CC(=O)N[C@H](C(=O)[O-])C(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC000675985759 600533476 /nfs/dbraw/zinc/53/34/76/600533476.db2.gz DZAQZVZDNMWPJX-QMTHXVAHSA-N -1 0 345.361 3.815 20 0 EHADRM CC(C)Cc1ccc([C@H](C)NC(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000736453632 600534033 /nfs/dbraw/zinc/53/40/33/600534033.db2.gz MCCOAGBPFKEKMA-ZDUSSCGKSA-N -1 0 344.411 3.737 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N[C@@H](c2ccccc2)C2CCCC2)o1 ZINC000739438508 600534040 /nfs/dbraw/zinc/53/40/40/600534040.db2.gz ZWBOVJWZVKFALZ-KRWDZBQOSA-N -1 0 342.395 3.709 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)C2CCSCC2)s1 ZINC000736294344 600534721 /nfs/dbraw/zinc/53/47/21/600534721.db2.gz NSAQBPJFCRILMR-UHFFFAOYSA-N -1 0 327.471 3.826 20 0 EHADRM C[C@@H](CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1F ZINC000237552924 600542979 /nfs/dbraw/zinc/54/29/79/600542979.db2.gz PTRPYNLWPFUNPT-JTQLQIEISA-N -1 0 346.314 3.564 20 0 EHADRM C[C@@H](NC(=O)NCc1ccc(C(=O)[O-])o1)c1cccc2ccccc21 ZINC000736646537 600543978 /nfs/dbraw/zinc/54/39/78/600543978.db2.gz LRYLMKMWRDDPMR-GFCCVEGCSA-N -1 0 338.363 3.691 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@@H](Cc2ccccc2)C(C)C)cc1C(=O)[O-] ZINC000262419819 600546486 /nfs/dbraw/zinc/54/64/86/600546486.db2.gz CKYJDISGEZHUFJ-KRWDZBQOSA-N -1 0 343.423 3.760 20 0 EHADRM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccccc1C(=O)[O-] ZINC000681679918 600550007 /nfs/dbraw/zinc/55/00/07/600550007.db2.gz SZPXBCGGZLSHLP-SECBINFHSA-N -1 0 337.734 3.583 20 0 EHADRM CC(C)[C@@H](C)C(=O)N(Cc1ccoc1C(=O)[O-])[C@H](C)c1ccccn1 ZINC000736349510 600554848 /nfs/dbraw/zinc/55/48/48/600554848.db2.gz MZBMNDGINRFTMQ-ZIAGYGMSSA-N -1 0 344.411 3.755 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000236746638 600556876 /nfs/dbraw/zinc/55/68/76/600556876.db2.gz IFIWXZYBUCLBJD-NWDGAFQWSA-N -1 0 344.238 3.809 20 0 EHADRM CC(C)[C@H](CC1CCCCC1)C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000736354709 600571102 /nfs/dbraw/zinc/57/11/02/600571102.db2.gz ZRIBMWGABSFPNE-AWEZNQCLSA-N -1 0 338.473 3.951 20 0 EHADRM CC[C@@H](CC1CCCCC1)C(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC000236944064 600577034 /nfs/dbraw/zinc/57/70/34/600577034.db2.gz BEUCVAVVAGIVHY-KRWDZBQOSA-N -1 0 347.455 3.763 20 0 EHADRM CCC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)[O-] ZINC000736969882 600577210 /nfs/dbraw/zinc/57/72/10/600577210.db2.gz IRSPFRKTOUJKLD-HNNXBMFYSA-N -1 0 326.396 3.918 20 0 EHADRM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1cccc(Oc2ccnc3ccccc32)c1 ZINC000739553100 600579763 /nfs/dbraw/zinc/57/97/63/600579763.db2.gz MJPQYWOAUXCVJR-CVEARBPZSA-N -1 0 348.358 3.686 20 0 EHADRM C[C@@H](CC(=O)[O-])SCC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000736554287 600582779 /nfs/dbraw/zinc/58/27/79/600582779.db2.gz XLOBRNLBWZWEJM-HZMBPMFUSA-N -1 0 329.487 3.548 20 0 EHADRM COc1cc(-c2nc(CS[C@H](C)CC(=O)[O-])cs2)ccc1O ZINC000737845425 600583121 /nfs/dbraw/zinc/58/31/21/600583121.db2.gz IMFGUIVHFLFSOR-SECBINFHSA-N -1 0 339.438 3.621 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1cc2occc2s1 ZINC000737879286 600584316 /nfs/dbraw/zinc/58/43/16/600584316.db2.gz PPVJPSWXOGMNCP-HWKANZROSA-N -1 0 344.344 3.820 20 0 EHADRM Cc1c(Cl)cccc1OCC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000479513269 600587054 /nfs/dbraw/zinc/58/70/54/600587054.db2.gz FGWMCEFFNGJNGS-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)c1cc2occc2s1)c1ccccc1 ZINC000739662536 600587995 /nfs/dbraw/zinc/58/79/95/600587995.db2.gz OXXGVVUMSMRVPZ-LBPRGKRZSA-N -1 0 329.377 3.830 20 0 EHADRM Cc1sc2[nH]c([C@H](C)S[C@@H](C)CC(=O)[O-])nc(=O)c2c1C ZINC000738399037 600589736 /nfs/dbraw/zinc/58/97/36/600589736.db2.gz QLZKHXWQHWFDCR-RCOVLWMOSA-N -1 0 326.443 3.671 20 0 EHADRM CCCCc1ccc(CC(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000737001370 600592580 /nfs/dbraw/zinc/59/25/80/600592580.db2.gz TZIBLPUSCHEJLN-HXUWFJFHSA-N -1 0 339.435 3.856 20 0 EHADRM CC(C)[C@@H](SC[C@H](C)C(=O)[O-])C(=O)Nc1cccc2ncccc21 ZINC000736607719 600597424 /nfs/dbraw/zinc/59/74/24/600597424.db2.gz WOCBHVBKQFUMKL-BLLLJJGKSA-N -1 0 346.452 3.652 20 0 EHADRM O=C([O-])[C@H](CNC(=O)C1CCCCC1)Cc1cccc2ccccc21 ZINC000486396104 600598470 /nfs/dbraw/zinc/59/84/70/600598470.db2.gz PHXRXMJOLJXVLW-SFHVURJKSA-N -1 0 339.435 3.780 20 0 EHADRM C[C@@H](NC(=O)[C@H](C)SC[C@@H](C)C(=O)[O-])c1cccc2ccccc21 ZINC000736613556 600599653 /nfs/dbraw/zinc/59/96/53/600599653.db2.gz AMILEAAJSXMGIX-MCIONIFRSA-N -1 0 345.464 3.859 20 0 EHADRM Cc1ccc(OCc2nc(CSC[C@@H](C)C(=O)[O-])cs2)cc1 ZINC000738649747 600600802 /nfs/dbraw/zinc/60/08/02/600600802.db2.gz XKZCWHWYXXENHT-GFCCVEGCSA-N -1 0 337.466 3.984 20 0 EHADRM CC[C@H](c1ccncc1)N(CC)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000736928873 600601276 /nfs/dbraw/zinc/60/12/76/600601276.db2.gz GWWXYGNQJBONRT-MRXNPFEDSA-N -1 0 327.384 3.785 20 0 EHADRM Cc1cc(C(=O)CSC[C@H](C)C(=O)[O-])c(C)n1CCC(C)C ZINC000738319310 600601342 /nfs/dbraw/zinc/60/13/42/600601342.db2.gz IGKTXBQYLPIIOE-LBPRGKRZSA-N -1 0 325.474 3.788 20 0 EHADRM Cc1ccccc1C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000237680003 600604442 /nfs/dbraw/zinc/60/44/42/600604442.db2.gz FYGQMMQZVKRIKQ-LJQANCHMSA-N -1 0 347.414 3.822 20 0 EHADRM Cc1ccc(-c2noc(CCCSC[C@@H](C)C(=O)[O-])n2)cc1F ZINC000738494431 600604966 /nfs/dbraw/zinc/60/49/66/600604966.db2.gz KESNSHWOCWCRHB-LLVKDONJSA-N -1 0 338.404 3.571 20 0 EHADRM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ccccc1OCc1cccc(Cl)c1 ZINC000561697306 600607999 /nfs/dbraw/zinc/60/79/99/600607999.db2.gz XQXLXWQXNUIBIO-KBPBESRZSA-N -1 0 345.782 3.578 20 0 EHADRM C[C@@H](C(=O)Oc1ccc(C(=O)[O-])cc1Br)C(C)(C)C ZINC000736222975 600608623 /nfs/dbraw/zinc/60/86/23/600608623.db2.gz ICGJAVNFZGYSNJ-QMMMGPOBSA-N -1 0 329.190 3.735 20 0 EHADRM CCc1[nH]c(C(=O)NC(C)(C)c2cccc(C)c2)c(C)c1C(=O)[O-] ZINC000737240135 600608706 /nfs/dbraw/zinc/60/87/06/600608706.db2.gz HUYQHEFTPXNGFL-UHFFFAOYSA-N -1 0 328.412 3.557 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C[C@@H]1CCc2ccccc21)c1ccc(F)cc1 ZINC000675948179 600608774 /nfs/dbraw/zinc/60/87/74/600608774.db2.gz VBLBUJWIYYZEHJ-YJBOKZPZSA-N -1 0 341.382 3.578 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)CCc2ccc(C(=O)[O-])cc2)c1C ZINC000237579995 600611225 /nfs/dbraw/zinc/61/12/25/600611225.db2.gz OEXDLXWHVFAFBH-OAHLLOKOSA-N -1 0 325.408 3.812 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2ccnc3ccccc32)c1 ZINC000322616303 600619668 /nfs/dbraw/zinc/61/96/68/600619668.db2.gz DTRZEUHBGJGZTC-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM CC[C@H](c1ccncc1)N(CC)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000736929405 600623905 /nfs/dbraw/zinc/62/39/05/600623905.db2.gz KLNXXIUDNMOQLY-MRXNPFEDSA-N -1 0 345.374 3.924 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)CCc2cc(F)ccc2F)c1 ZINC000739250934 600625428 /nfs/dbraw/zinc/62/54/28/600625428.db2.gz AIUOYNFMOXYQMV-UHFFFAOYSA-N -1 0 339.725 3.888 20 0 EHADRM CC1CCC(N(C(=O)COc2ccc(NC(=O)[O-])cc2)C2CC2)CC1 ZINC000736763378 600638909 /nfs/dbraw/zinc/63/89/09/600638909.db2.gz XCQJIEVYJJMATN-UHFFFAOYSA-N -1 0 346.427 3.725 20 0 EHADRM Cc1cc(OCC(=O)Nc2ccc(C)c(Cl)c2)c(C(=O)[O-])s1 ZINC000387452134 600638926 /nfs/dbraw/zinc/63/89/26/600638926.db2.gz QOZNKNHKUGEORG-UHFFFAOYSA-N -1 0 339.800 3.734 20 0 EHADRM CCCn1c(C)cc(C(=O)COc2cc(C)sc2C(=O)[O-])c1C ZINC000737049642 600639744 /nfs/dbraw/zinc/63/97/44/600639744.db2.gz GDDVIPACEBMOOT-UHFFFAOYSA-N -1 0 335.425 3.845 20 0 EHADRM Cc1ccc(-c2ncc(CNCc3ccc(C(=O)[O-])o3)s2)cc1 ZINC000738490668 600639764 /nfs/dbraw/zinc/63/97/64/600639764.db2.gz QWXKEQWOTSADRR-UHFFFAOYSA-N -1 0 328.393 3.700 20 0 EHADRM O=C([O-])c1cccc(NC(=O)NC2(C(F)(F)F)CCCCC2)c1 ZINC000739480325 600641238 /nfs/dbraw/zinc/64/12/38/600641238.db2.gz NWJKMDNFXQVFBE-UHFFFAOYSA-N -1 0 330.306 3.772 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)C(=O)[O-] ZINC000736243818 600642346 /nfs/dbraw/zinc/64/23/46/600642346.db2.gz HNIKXLVZKMUKCI-GFCCVEGCSA-N -1 0 343.210 3.704 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@@H](C(=O)[O-])C(C)(C)C ZINC000736621963 600643071 /nfs/dbraw/zinc/64/30/71/600643071.db2.gz HYXUTCNQLRCJNT-RNCFNFMXSA-N -1 0 346.254 3.788 20 0 EHADRM CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)c1ccccc1C(=O)[O-] ZINC000737052645 600647452 /nfs/dbraw/zinc/64/74/52/600647452.db2.gz MSMVYIJELDJHPD-ZIAGYGMSSA-N -1 0 345.345 3.820 20 0 EHADRM CC[C@H]1CCCCCN1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736942692 600653570 /nfs/dbraw/zinc/65/35/70/600653570.db2.gz XHCNEZIVDJQYEZ-INIZCTEOSA-N -1 0 333.432 3.683 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000832589187 600658952 /nfs/dbraw/zinc/65/89/52/600658952.db2.gz LZRZILAYHAOJNV-JYBLJSLWSA-N -1 0 344.338 3.607 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NC2(c3ccc(Cl)cc3)CCC2)C1 ZINC000179977887 600660691 /nfs/dbraw/zinc/66/06/91/600660691.db2.gz NJQWEJAYUYNQGL-OLZOCXBDSA-N -1 0 335.831 3.726 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)NCCc2cc(Cl)cc(Cl)c2)C1 ZINC000179981497 600661791 /nfs/dbraw/zinc/66/17/91/600661791.db2.gz OIIJYJRQRMRDJJ-RYUDHWBXSA-N -1 0 344.238 3.543 20 0 EHADRM CSc1ccc(O[C@H](C)C(=O)Nc2sccc2C(=O)[O-])cc1 ZINC000738212231 600661948 /nfs/dbraw/zinc/66/19/48/600661948.db2.gz LTYKVSTUFHJSOZ-SECBINFHSA-N -1 0 337.422 3.574 20 0 EHADRM CSc1ccc(O[C@@H](C)C(=O)Nc2cccc(NC(=O)[O-])c2)cc1 ZINC000738210962 600662033 /nfs/dbraw/zinc/66/20/33/600662033.db2.gz DZHYKGVCQOTJAQ-NSHDSACASA-N -1 0 346.408 3.904 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000262104048 600662901 /nfs/dbraw/zinc/66/29/01/600662901.db2.gz FVSRWIQCDPTZCS-JKSUJKDBSA-N -1 0 327.380 3.521 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2F)C1 ZINC000108657312 600665464 /nfs/dbraw/zinc/66/54/64/600665464.db2.gz FASYPPDPULIXOA-DTWKUNHWSA-N -1 0 333.281 3.674 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2cccc(Oc3ccncc3)c2)C1 ZINC000191593787 600669130 /nfs/dbraw/zinc/66/91/30/600669130.db2.gz KRKZSXFQEFUDAY-ZIAGYGMSSA-N -1 0 340.379 3.703 20 0 EHADRM O=C([O-])[C@H](CNc1nc(C(F)F)nc2ccccc21)c1ccccc1 ZINC000739501060 600671045 /nfs/dbraw/zinc/67/10/45/600671045.db2.gz FOCCYFZMVOJALM-CYBMUJFWSA-N -1 0 343.333 3.848 20 0 EHADRM O=C([O-])c1ccccc1NCc1cccc(OCC(F)(F)F)c1 ZINC000740239570 600675513 /nfs/dbraw/zinc/67/55/13/600675513.db2.gz HWMNRNKMOHNXMD-UHFFFAOYSA-N -1 0 325.286 3.938 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)c1cc(Cl)sc1Cl ZINC000739891925 600677046 /nfs/dbraw/zinc/67/70/46/600677046.db2.gz MOBWMWVAJUZHDC-UHFFFAOYSA-N -1 0 331.176 3.901 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000832976943 600678017 /nfs/dbraw/zinc/67/80/17/600678017.db2.gz JHVRHSCARXMLCQ-FZKQIMNGSA-N -1 0 330.355 3.997 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000827593010 600679724 /nfs/dbraw/zinc/67/97/24/600679724.db2.gz YLFRTZUXEWUAGR-BZNIZROVSA-N -1 0 334.318 3.513 20 0 EHADRM O=C([O-])[C@@H](OC(=O)CC/C=C\c1ccccc1)c1ccccc1F ZINC000833097475 600680114 /nfs/dbraw/zinc/68/01/14/600680114.db2.gz NTGRPTGEYZKHSS-JDTSAYOFSA-N -1 0 328.339 3.988 20 0 EHADRM Cc1cccc2c(CCC(=O)O[C@H](C(=O)[O-])c3ccccc3)c[nH]c21 ZINC000832975990 600686797 /nfs/dbraw/zinc/68/67/97/600686797.db2.gz FZMMNHOVXDKJFU-IBGZPJMESA-N -1 0 337.375 3.778 20 0 EHADRM CCc1ccccc1CNC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000237004711 600690050 /nfs/dbraw/zinc/69/00/50/600690050.db2.gz DNRZIVSYCPDHJT-CYBMUJFWSA-N -1 0 343.448 3.744 20 0 EHADRM CCO[C@H](C)c1ncc(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)s1 ZINC000829900756 600693057 /nfs/dbraw/zinc/69/30/57/600693057.db2.gz FCGZCFWVSCXYML-SECBINFHSA-N -1 0 345.380 3.656 20 0 EHADRM O=C([O-])c1cccc(-c2noc(Cc3ccc4c(c3)CCCC4)n2)c1 ZINC000833327647 600693322 /nfs/dbraw/zinc/69/33/22/600693322.db2.gz RLKJWXBYRBJCSL-UHFFFAOYSA-N -1 0 334.375 3.904 20 0 EHADRM O=C([O-])c1ccc(-c2noc([C@H]3C[C@@]34CCc3ccccc34)n2)cc1 ZINC000833309076 600693334 /nfs/dbraw/zinc/69/33/34/600693334.db2.gz XUPKBUZAUKKHBB-OXQOHEQNSA-N -1 0 332.359 3.806 20 0 EHADRM COc1ccccc1[C@@H](C)Cc1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000832589795 600695710 /nfs/dbraw/zinc/69/57/10/600695710.db2.gz TXLFCPPYECIOSJ-LBPRGKRZSA-N -1 0 338.363 3.790 20 0 EHADRM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)c1ccc(C(=O)[O-])cn1 ZINC000190654021 600701452 /nfs/dbraw/zinc/70/14/52/600701452.db2.gz OKXFDMMAZJIOLP-CQSZACIVSA-N -1 0 338.407 3.783 20 0 EHADRM Cc1[nH]c(C(=O)N(Cc2ccc(C)c(C)c2)C2CC2)c(C)c1C(=O)[O-] ZINC000738592735 600701659 /nfs/dbraw/zinc/70/16/59/600701659.db2.gz OMYSISYCPQICCW-UHFFFAOYSA-N -1 0 340.423 3.751 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)cc1 ZINC000830508576 600704178 /nfs/dbraw/zinc/70/41/78/600704178.db2.gz XANPKAVJNKKFDX-FXAWDEMLSA-N -1 0 336.391 3.643 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)[C@@H](C)CCc1cccc(F)c1 ZINC000833025187 600722517 /nfs/dbraw/zinc/72/25/17/600722517.db2.gz GOMSXQPPEINQAX-NSHDSACASA-N -1 0 334.343 3.737 20 0 EHADRM Cc1cc(COC(=O)[C@@]2(C)CCc3ccccc3C2)oc1C(=O)[O-] ZINC000832886617 600734693 /nfs/dbraw/zinc/73/46/93/600734693.db2.gz VVWBHRZFZOROSE-IBGZPJMESA-N -1 0 328.364 3.525 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cc(Oc3ccccc3)ccn2)cc1 ZINC000833316243 600741542 /nfs/dbraw/zinc/74/15/42/600741542.db2.gz WSOSTHFXFOZKLN-UHFFFAOYSA-N -1 0 349.342 3.929 20 0 EHADRM CCO[C@H]1C[C@H](N(C)C(=O)Nc2ccc(C(=O)[O-])cc2)C12CCCC2 ZINC000737158827 600743109 /nfs/dbraw/zinc/74/31/09/600743109.db2.gz SNTNVMGPUPYQIY-HOTGVXAUSA-N -1 0 346.427 3.586 20 0 EHADRM Cc1cccc([C@H]2CCCCN2C(=O)NCCCCC(=O)[O-])c1C ZINC000666561735 600744108 /nfs/dbraw/zinc/74/41/08/600744108.db2.gz CKUJQIUVZOAMAV-QGZVFWFLSA-N -1 0 332.444 3.795 20 0 EHADRM O=C([O-])[C@H](NCc1sccc1Br)c1ccccc1F ZINC000426789334 600744909 /nfs/dbraw/zinc/74/49/09/600744909.db2.gz SYJLJLZDQZEJKB-GFCCVEGCSA-N -1 0 344.205 3.565 20 0 EHADRM C[C@H](N[C@@H](C(=O)[O-])c1ccccc1F)c1nc2ccccc2s1 ZINC000827718278 600750245 /nfs/dbraw/zinc/75/02/45/600750245.db2.gz PWKWFZRBEXJWMI-ZUZCIYMTSA-N -1 0 330.384 3.912 20 0 EHADRM Cc1cccc2c(CC(=O)Nc3ccc(F)c(NC(=O)[O-])c3)c[nH]c21 ZINC000738747299 600772145 /nfs/dbraw/zinc/77/21/45/600772145.db2.gz HMSFBYVVFNDZSI-UHFFFAOYSA-N -1 0 341.342 3.887 20 0 EHADRM CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000516547232 600773634 /nfs/dbraw/zinc/77/36/34/600773634.db2.gz GGYHQKJHFXGSNE-UHFFFAOYSA-N -1 0 347.436 3.525 20 0 EHADRM C[C@H](CC(=O)NC(C)(C)CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000736542095 600781781 /nfs/dbraw/zinc/78/17/81/600781781.db2.gz VMTWXCMWSMQKAS-SNVBAGLBSA-N -1 0 331.334 3.569 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2C[C@]23CCc2ccccc23)ccc1Cl ZINC000685019930 600784369 /nfs/dbraw/zinc/78/43/69/600784369.db2.gz IEUTVBOKSQZOFV-BEFAXECRSA-N -1 0 341.794 3.881 20 0 EHADRM COc1ccc2cc([C@@H](C)OC(=O)[C@@H](NC(=O)[O-])C(C)C)ccc2c1 ZINC000832504216 600802757 /nfs/dbraw/zinc/80/27/57/600802757.db2.gz INISAZXFJYLRPT-PXAZEXFGSA-N -1 0 345.395 3.745 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)cc1C ZINC000776676030 600805688 /nfs/dbraw/zinc/80/56/88/600805688.db2.gz ZYZYCPWIOBNYSM-INIZCTEOSA-N -1 0 331.799 3.903 20 0 EHADRM C[C@H](OC(=O)c1ccc(Oc2ccc(C(C)(C)C)cc2)nc1)C(=O)[O-] ZINC000736686991 600806818 /nfs/dbraw/zinc/80/68/18/600806818.db2.gz BNQHCTWVEKWGCU-LBPRGKRZSA-N -1 0 343.379 3.801 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(Nc2nccc(C(F)(F)F)n2)cc1 ZINC000826127327 600817646 /nfs/dbraw/zinc/81/76/46/600817646.db2.gz QUCLJBOWDARVTO-UHFFFAOYSA-N -1 0 325.290 3.601 20 0 EHADRM Cc1ccc(N2CC[C@@H](SCc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000738618359 600817861 /nfs/dbraw/zinc/81/78/61/600817861.db2.gz ZWZFOQZQIAEJOJ-QGZVFWFLSA-N -1 0 341.432 3.732 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1cccc2cnccc21)c1ccccc1 ZINC000828595481 600818246 /nfs/dbraw/zinc/81/82/46/600818246.db2.gz ZNFBDEMEJMEHFM-SFHVURJKSA-N -1 0 334.375 3.745 20 0 EHADRM Cc1ccc2c(CCC(=O)Nc3cccc(F)c3C(=O)[O-])c[nH]c2c1 ZINC000832959585 600818777 /nfs/dbraw/zinc/81/87/77/600818777.db2.gz HWJZOHNVFMNAGO-UHFFFAOYSA-N -1 0 340.354 3.885 20 0 EHADRM C[C@@H](CS[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1)C(=O)[O-] ZINC000736617533 600819363 /nfs/dbraw/zinc/81/93/63/600819363.db2.gz OEGFNJCTOXJCRR-UWVGGRQHSA-N -1 0 340.832 3.829 20 0 EHADRM C[C@@H]1CCCC[C@H]1NC(=S)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000736783844 600819900 /nfs/dbraw/zinc/81/99/00/600819900.db2.gz HTINYVDJIZTMDS-UMVBOHGHSA-N -1 0 332.469 3.518 20 0 EHADRM Cc1ccc(O[C@@H](C)CNc2nc(Cl)c(C(=O)[O-])s2)cc1 ZINC000832950993 600822073 /nfs/dbraw/zinc/82/20/73/600822073.db2.gz PWEFTOIYAXCXJF-VIFPVBQESA-N -1 0 326.805 3.683 20 0 EHADRM C[C@@H](C(=O)Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1)c1ccco1 ZINC000736220169 600823505 /nfs/dbraw/zinc/82/35/05/600823505.db2.gz YZNYJFIBOXWORF-SNVBAGLBSA-N -1 0 342.376 3.844 20 0 EHADRM Cc1cc(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)sc1C(=O)[O-] ZINC000738235451 600826368 /nfs/dbraw/zinc/82/63/68/600826368.db2.gz UOPDCJHHZIJRAT-UWVGGRQHSA-N -1 0 337.347 3.775 20 0 EHADRM O=C([O-])[C@H](Sc1ccc2c(c1)OCCCO2)c1ccccc1F ZINC000833170233 600833108 /nfs/dbraw/zinc/83/31/08/600833108.db2.gz OPMATZCDELGTEP-MRXNPFEDSA-N -1 0 334.368 3.905 20 0 EHADRM Cc1nnc(S[C@H](C(=O)[O-])c2ccccc2F)n1-c1ccccc1 ZINC000833020727 600834065 /nfs/dbraw/zinc/83/40/65/600834065.db2.gz ASVZLIWVAQOFJP-HNNXBMFYSA-N -1 0 343.383 3.633 20 0 EHADRM Cc1ccc(C)c([C@H]2CN(Cc3cc(C(=O)[O-])co3)[C@@H](C)CO2)c1 ZINC000567905929 600835135 /nfs/dbraw/zinc/83/51/35/600835135.db2.gz WZXOQADRVZDMKP-KBXCAEBGSA-N -1 0 329.396 3.557 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N1CCN(Cc2occc2C(=O)[O-])CC1 ZINC000827935642 600838070 /nfs/dbraw/zinc/83/80/70/600838070.db2.gz UHQVFAWKFDTNPF-CYBMUJFWSA-N -1 0 348.830 3.510 20 0 EHADRM CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000179962964 600838672 /nfs/dbraw/zinc/83/86/72/600838672.db2.gz VCPANEHVNKXMDS-CABCVRRESA-N -1 0 337.847 3.968 20 0 EHADRM COC(=O)[C@H](C)CS[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000831058808 600840165 /nfs/dbraw/zinc/84/01/65/600840165.db2.gz AWDLDLGLOMLJRU-HQJQHLMTSA-N -1 0 337.224 3.661 20 0 EHADRM C[C@H]1CCC[C@@H](C(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)C1 ZINC000237511183 600841572 /nfs/dbraw/zinc/84/15/72/600841572.db2.gz JMINHCYDHXDYEA-GXTWGEPZSA-N -1 0 339.382 3.594 20 0 EHADRM CC[C@H]1C[C@H](C)CN1C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000829074605 600841646 /nfs/dbraw/zinc/84/16/46/600841646.db2.gz IHHFOUCHSHQVPG-JSGCOSHPSA-N -1 0 334.416 3.824 20 0 EHADRM CC(C)(C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21)c1ccccc1F ZINC000736224502 600846245 /nfs/dbraw/zinc/84/62/45/600846245.db2.gz QVVRALLOHVYMKF-ZDUSSCGKSA-N -1 0 341.382 3.708 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cc(OCc3ccccc3)ccn2)c1 ZINC000833330317 600849198 /nfs/dbraw/zinc/84/91/98/600849198.db2.gz PTXQVTLSSSSKGN-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000237524656 600851017 /nfs/dbraw/zinc/85/10/17/600851017.db2.gz IQXLDZKPGCXJRU-KDOFPFPSSA-N -1 0 343.398 3.727 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000767095230 600851788 /nfs/dbraw/zinc/85/17/88/600851788.db2.gz GPBDHGIGEZAKHY-NSHDSACASA-N -1 0 333.334 3.870 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)c2ccccc21 ZINC000739641028 600854398 /nfs/dbraw/zinc/85/43/98/600854398.db2.gz IDUPEUKJRDGWOH-HYVNUMGLSA-N -1 0 327.424 3.808 20 0 EHADRM CC(C)[C@@H](C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)c1ccccc1 ZINC000236652423 600855832 /nfs/dbraw/zinc/85/58/32/600855832.db2.gz USMZZEDMMCNUOS-MRXNPFEDSA-N -1 0 337.379 3.639 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)C[C@H]2CCc3ccccc3C2)c2ccccc21 ZINC000739640641 600857564 /nfs/dbraw/zinc/85/75/64/600857564.db2.gz FKGMXQUOHQXFMC-MAUKXSAKSA-N -1 0 349.430 3.787 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)c2cc3occc3s2)c2ccccc21 ZINC000739647973 600859941 /nfs/dbraw/zinc/85/99/41/600859941.db2.gz XVIFQFZUUHGKGZ-SNVBAGLBSA-N -1 0 327.361 3.713 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)[C@@H]2CCCc3ccccc32)c2ccccc21 ZINC000327514857 600863386 /nfs/dbraw/zinc/86/33/86/600863386.db2.gz HGABKPJRFVNMOC-MAUKXSAKSA-N -1 0 335.403 3.712 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N3CCC(CC(=O)[O-])CC3)o2)cc1 ZINC000262498916 600866265 /nfs/dbraw/zinc/86/62/65/600866265.db2.gz YCOMCVGOJDJHME-UHFFFAOYSA-N -1 0 341.407 3.836 20 0 EHADRM CC(C)CCC(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000736429175 600867470 /nfs/dbraw/zinc/86/74/70/600867470.db2.gz SKPSPUUXPRHOKK-UHFFFAOYSA-N -1 0 332.169 3.661 20 0 EHADRM C[C@@H](OC(=O)C[C@H](C)C(=O)c1cccc(F)c1)c1ccc(C(=O)[O-])o1 ZINC000827391761 600869313 /nfs/dbraw/zinc/86/93/13/600869313.db2.gz JWHDPKAAPDTKBM-WDEREUQCSA-N -1 0 348.326 3.630 20 0 EHADRM CC1CCN(c2ccc(NC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)cc2)CC1 ZINC000327904587 600872236 /nfs/dbraw/zinc/87/22/36/600872236.db2.gz FDPDNODQALJKQQ-HZPDHXFCSA-N -1 0 344.455 3.752 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C)CC(=O)c2ccccc2F)ccc1C(=O)[O-] ZINC000832893632 600876756 /nfs/dbraw/zinc/87/67/56/600876756.db2.gz VDSSKDFCNGZSGV-LBPRGKRZSA-N -1 0 343.354 3.680 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@@H]2CCOc3ccccc32)cc1 ZINC000262281252 600878768 /nfs/dbraw/zinc/87/87/68/600878768.db2.gz URMMRLDVQQLTJP-MRXNPFEDSA-N -1 0 339.391 3.554 20 0 EHADRM Cc1ccc2oc(C(=O)Nc3ccc(C(C)(C)C(=O)[O-])cc3)cc2n1 ZINC000362783460 600879064 /nfs/dbraw/zinc/87/90/64/600879064.db2.gz VTNPCBVKCFVFPG-UHFFFAOYSA-N -1 0 338.363 3.751 20 0 EHADRM Cc1c(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cnn1C(C)(C)C ZINC000262262035 600879902 /nfs/dbraw/zinc/87/99/02/600879902.db2.gz YYMLOYLCGPDVFR-UHFFFAOYSA-N -1 0 343.427 3.561 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000736625216 600880726 /nfs/dbraw/zinc/88/07/26/600880726.db2.gz DOCSQZBGPQDVPT-CQSZACIVSA-N -1 0 325.408 3.866 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2cc(Cl)cc3cccnc32)C1 ZINC000323486258 600881911 /nfs/dbraw/zinc/88/19/11/600881911.db2.gz QXAMNUNNGYSJDK-NEPJUHHUSA-N -1 0 332.787 3.718 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Cn2ccc3ccccc32)cc1 ZINC000362776014 600883128 /nfs/dbraw/zinc/88/31/28/600883128.db2.gz UCDYXEXUJNFJTB-UHFFFAOYSA-N -1 0 336.391 3.642 20 0 EHADRM COc1ccc([C@@H](C)C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC000262709027 600883153 /nfs/dbraw/zinc/88/31/53/600883153.db2.gz DZHXHMFUHLPXHJ-CYBMUJFWSA-N -1 0 341.407 3.800 20 0 EHADRM Cc1cc2c(cc1C)O[C@H](C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)C2 ZINC000237897806 600888861 /nfs/dbraw/zinc/88/88/61/600888861.db2.gz MEHKMSQIMXNVMD-INIZCTEOSA-N -1 0 345.782 3.597 20 0 EHADRM CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000506676272 600889878 /nfs/dbraw/zinc/88/98/78/600889878.db2.gz OUETVYQEUMDZTB-UHFFFAOYSA-N -1 0 347.436 3.525 20 0 EHADRM Cc1cc(S(=O)(=O)N(C)c2cccc(C(C)C)c2)ccc1C(=O)[O-] ZINC000505807462 600889889 /nfs/dbraw/zinc/88/98/89/600889889.db2.gz BJWSTIVRVIFTGS-UHFFFAOYSA-N -1 0 347.436 3.642 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@H](c2ccccc2)C2CCCC2)C1 ZINC000245651454 600898799 /nfs/dbraw/zinc/89/87/99/600898799.db2.gz COXCXHYVCYMNMY-RCCFBDPRSA-N -1 0 329.440 3.925 20 0 EHADRM CCCOc1ccc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1Cl ZINC000323908758 600899759 /nfs/dbraw/zinc/89/97/59/600899759.db2.gz JHBILYQLQZCERM-NEPJUHHUSA-N -1 0 339.819 3.958 20 0 EHADRM COc1ccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c(C(F)(F)F)c1 ZINC000326599103 600903839 /nfs/dbraw/zinc/90/38/39/600903839.db2.gz FVRCKZDZGXIUTD-NXEZZACHSA-N -1 0 345.317 3.544 20 0 EHADRM CC[C@@H](NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)C(C)(C)c1ccccc1 ZINC000736913323 600912921 /nfs/dbraw/zinc/91/29/21/600912921.db2.gz AOOCZVJNLVHZED-OAHLLOKOSA-N -1 0 342.439 3.816 20 0 EHADRM COc1cccc(N(CC(C)C)C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000832558957 600915570 /nfs/dbraw/zinc/91/55/70/600915570.db2.gz USTQBVIMBSMXQK-HUUCEWRRSA-N -1 0 333.428 3.575 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000237844843 600929829 /nfs/dbraw/zinc/92/98/29/600929829.db2.gz NWGAXQLUCNMQHJ-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM Cc1cccc([C@@H]2CCCCN2C(=O)c2ccc(C(=O)[O-])cn2)c1C ZINC000190660256 600932416 /nfs/dbraw/zinc/93/24/16/600932416.db2.gz ZLKOULTWKOFVNX-SFHVURJKSA-N -1 0 338.407 3.764 20 0 EHADRM Cc1cccc([C@@H]2CCCCN2C(=O)CCCN(C)C(=O)[O-])c1C ZINC000832966219 600933386 /nfs/dbraw/zinc/93/33/86/600933386.db2.gz UCKIFGZBTNWABU-KRWDZBQOSA-N -1 0 332.444 3.747 20 0 EHADRM COc1ccccc1[C@@H]1CCCCN1C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000832601155 600935346 /nfs/dbraw/zinc/93/53/46/600935346.db2.gz FXUPFEQBMJTWKJ-UXLLHSPISA-N -1 0 345.439 3.640 20 0 EHADRM O=C([O-])Nc1cccc(OCc2ccn(-c3cccc(F)c3)n2)c1 ZINC000738669898 600943759 /nfs/dbraw/zinc/94/37/59/600943759.db2.gz PASFECVEZCICFR-UHFFFAOYSA-N -1 0 327.315 3.680 20 0 EHADRM CC(C)C[C@@H](OC(=O)[C@H](C)Oc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000826812619 600956643 /nfs/dbraw/zinc/95/66/43/600956643.db2.gz KRQRGZWQIVWMHI-GXFFZTMASA-N -1 0 348.317 3.515 20 0 EHADRM O=C([O-])C[C@@H]1CN(CCOc2ccccc2Cl)c2ccccc21 ZINC000321720083 600958854 /nfs/dbraw/zinc/95/88/54/600958854.db2.gz HGASXJVJMFAHEB-CYBMUJFWSA-N -1 0 331.799 3.797 20 0 EHADRM Cc1ccc(C)c(OCCN2C[C@@H](CC(=O)[O-])c3ccccc32)c1 ZINC000325258555 600959984 /nfs/dbraw/zinc/95/99/84/600959984.db2.gz IXASQMYUXSANEM-MRXNPFEDSA-N -1 0 325.408 3.761 20 0 EHADRM CCO[C@H]1C[C@H](OC(=O)c2ccc(C(=O)[O-])s2)C12CCCCC2 ZINC000829931951 600960966 /nfs/dbraw/zinc/96/09/66/600960966.db2.gz YIODDTAACMTSGA-KBPBESRZSA-N -1 0 338.425 3.731 20 0 EHADRM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2cccc(C(=O)[O-])c2)o1 ZINC000237531227 600962161 /nfs/dbraw/zinc/96/21/61/600962161.db2.gz XNAQXOJZRWATHU-MLGOLLRUSA-N -1 0 327.380 3.900 20 0 EHADRM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)Oc2ccc(C(=O)[O-])cc2)cc1 ZINC000832927644 600964187 /nfs/dbraw/zinc/96/41/87/600964187.db2.gz GKYIGLNZCOJVIO-MSOLQXFVSA-N -1 0 340.375 3.767 20 0 EHADRM CC1CCN(c2cccc(NC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)c2)CC1 ZINC000828303876 600964916 /nfs/dbraw/zinc/96/49/16/600964916.db2.gz ZBHXBZYEAHYWKW-JKSUJKDBSA-N -1 0 344.455 3.752 20 0 EHADRM Cc1nc(C2CCCC2)sc1C(=O)Nc1ncc(C(=O)[O-])s1 ZINC000832995885 600967267 /nfs/dbraw/zinc/96/72/67/600967267.db2.gz NIUAITZKDYTUJI-UHFFFAOYSA-N -1 0 337.426 3.516 20 0 EHADRM CC[C@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)C(C)(C)c1ccccc1 ZINC000180020367 600968507 /nfs/dbraw/zinc/96/85/07/600968507.db2.gz GNONZYUQDCENAS-VYDXJSESSA-N -1 0 331.456 3.750 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N(Cc2ccoc2)C2CCCCC2)C1 ZINC000180017348 600968534 /nfs/dbraw/zinc/96/85/34/600968534.db2.gz SFLYQIAIWJJQFD-JKSUJKDBSA-N -1 0 333.428 3.832 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000829009974 600970230 /nfs/dbraw/zinc/97/02/30/600970230.db2.gz XLJTXRNVXFGHAI-FFSVYQOJSA-N -1 0 337.391 3.836 20 0 EHADRM Cc1cc(NC(=S)N[C@H]2CCc3ccccc3C2)ccc1C(=O)[O-] ZINC000832897759 600971029 /nfs/dbraw/zinc/97/10/29/600971029.db2.gz WJDAFIAHIBDADN-INIZCTEOSA-N -1 0 340.448 3.537 20 0 EHADRM Cc1nc(-c2cccc(C(=O)N3CCCC[C@H]3CC(=O)[O-])c2)cs1 ZINC000679394409 600971127 /nfs/dbraw/zinc/97/11/27/600971127.db2.gz NWNXDVNPWCTNTR-HNNXBMFYSA-N -1 0 344.436 3.588 20 0 EHADRM O=C([O-])c1ccc(OCc2nnc(-c3cccc(F)c3)o2)c(Cl)c1 ZINC000740168286 600983659 /nfs/dbraw/zinc/98/36/59/600983659.db2.gz PNJUIGQPNUSYBV-UHFFFAOYSA-N -1 0 348.717 3.806 20 0 EHADRM Cc1ccc(-c2ocnc2C(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000120224914 600993306 /nfs/dbraw/zinc/99/33/06/600993306.db2.gz YVVFSXLASDXCKP-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM CCC[C@@](C)(NC(=O)[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000736955004 601002481 /nfs/dbraw/zinc/00/24/81/601002481.db2.gz WMVDXJQGUDJPSG-MEBBXXQBSA-N -1 0 331.334 3.569 20 0 EHADRM C[C@H](C(=O)Nc1ccc(OCC(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000499197243 601002949 /nfs/dbraw/zinc/00/29/49/601002949.db2.gz YQTMISKRELXFEO-NSHDSACASA-N -1 0 333.771 3.546 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1ccc2oc(C3CC3)nc2c1)C(=O)[O-] ZINC000424477684 601003695 /nfs/dbraw/zinc/00/36/95/601003695.db2.gz WFIIXVSKAQWLPJ-LBPRGKRZSA-N -1 0 345.399 3.574 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000828901548 601006387 /nfs/dbraw/zinc/00/63/87/601006387.db2.gz WFWBRGJJFKOLET-KRWDZBQOSA-N -1 0 326.396 3.870 20 0 EHADRM CCN(C(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1C(=O)[O-] ZINC000737049160 601013349 /nfs/dbraw/zinc/01/33/49/601013349.db2.gz CJTRBZUWXAZNQF-UHFFFAOYSA-N -1 0 327.424 3.954 20 0 EHADRM C[C@H](C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC000736202513 601018902 /nfs/dbraw/zinc/01/89/02/601018902.db2.gz NPXORYDYVPTDJI-BLLLJJGKSA-N -1 0 331.799 3.728 20 0 EHADRM C[C@@H](C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC000736202521 601019016 /nfs/dbraw/zinc/01/90/16/601019016.db2.gz NPXORYDYVPTDJI-MLGOLLRUSA-N -1 0 331.799 3.728 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2cnc3ccsc3c2)c1 ZINC000740071749 601020439 /nfs/dbraw/zinc/02/04/39/601020439.db2.gz ACFRTSVXRXZZSD-UHFFFAOYSA-N -1 0 332.768 3.900 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000739892799 601024187 /nfs/dbraw/zinc/02/41/87/601024187.db2.gz UXBMLSPKFAZLSH-UHFFFAOYSA-N -1 0 343.766 3.597 20 0 EHADRM C[C@H]1CN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C[C@H](C)S1 ZINC000571929994 601024818 /nfs/dbraw/zinc/02/48/18/601024818.db2.gz MJMOYSLBUQKMHK-RYUDHWBXSA-N -1 0 348.493 3.834 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)Nc1cccc(C(F)F)c1)c1ccccc1 ZINC000386237884 601035965 /nfs/dbraw/zinc/03/59/65/601035965.db2.gz OAAQZMNMSFNTNN-AWEZNQCLSA-N -1 0 334.322 3.614 20 0 EHADRM O=C([O-])c1cnc(N(C(=O)C23CC4CC(CC(C4)C2)C3)C2CC2)s1 ZINC000740252485 601036585 /nfs/dbraw/zinc/03/65/85/601036585.db2.gz FALIBLLPPSSLFA-UHFFFAOYSA-N -1 0 346.452 3.553 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(CNC(=O)[O-])cc1)Cc1cccs1 ZINC000827485948 601051360 /nfs/dbraw/zinc/05/13/60/601051360.db2.gz DSMAHCIEDVGRBE-LBPRGKRZSA-N -1 0 347.440 3.516 20 0 EHADRM Cc1cc(NC(=O)c2ccc(N3CCCCC3)cc2)sc1C(=O)[O-] ZINC000832896183 601056642 /nfs/dbraw/zinc/05/66/42/601056642.db2.gz LLXYVYFDWMIEEN-UHFFFAOYSA-N -1 0 344.436 3.997 20 0 EHADRM Cc1ccc(SCC(=O)O[C@@H](C(=O)[O-])c2ccccc2F)c(C)c1 ZINC000832958080 601058562 /nfs/dbraw/zinc/05/85/62/601058562.db2.gz VEKZKHCWDPUZBJ-QGZVFWFLSA-N -1 0 348.395 3.904 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)NC[C@H](CC(C)C)C(=O)[O-])c1 ZINC000486276584 601063475 /nfs/dbraw/zinc/06/34/75/601063475.db2.gz AHWAAUILPMIHII-INIZCTEOSA-N -1 0 333.428 3.508 20 0 EHADRM COc1ccc(Cl)cc1CC(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000320560562 601064013 /nfs/dbraw/zinc/06/40/13/601064013.db2.gz KGFCQSXJQDEWNM-UHFFFAOYSA-N -1 0 333.771 3.536 20 0 EHADRM Cc1cc(NC(=O)[C@H](C)CCOc2ccccc2)ccc1C(=O)[O-] ZINC000237479513 601066339 /nfs/dbraw/zinc/06/63/39/601066339.db2.gz ZJONQTVVNOICJN-CYBMUJFWSA-N -1 0 327.380 3.737 20 0 EHADRM CCSCC[C@H](C)NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000160626569 601069715 /nfs/dbraw/zinc/06/97/15/601069715.db2.gz AXGPHFULXXDGFE-VIFPVBQESA-N -1 0 330.837 3.691 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1ccc(CC(F)(F)F)cc1)C(=O)[O-] ZINC000826775282 601074005 /nfs/dbraw/zinc/07/40/05/601074005.db2.gz WLPISEVZSBSTHR-LBPRGKRZSA-N -1 0 346.349 3.660 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)/C=C\c1cccs1 ZINC000833177821 601082539 /nfs/dbraw/zinc/08/25/39/601082539.db2.gz RPEBUQMHRXUYNN-PLDWVVQRSA-N -1 0 333.453 3.643 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)c1ccc(C(=O)[O-])nc1 ZINC000607878659 601087151 /nfs/dbraw/zinc/08/71/51/601087151.db2.gz KHWMYAOODXFFIQ-KRWDZBQOSA-N -1 0 340.423 3.572 20 0 EHADRM CN(C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)C(C1CC1)C1CC1 ZINC000830500347 601087726 /nfs/dbraw/zinc/08/77/26/601087726.db2.gz OSDDAQZQMVJZAU-UHFFFAOYSA-N -1 0 330.428 3.701 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)c1ccc2cc[nH]c2c1 ZINC000833178094 601088705 /nfs/dbraw/zinc/08/87/05/601088705.db2.gz DZZHVZHMFXVCHB-WMZOPIPTSA-N -1 0 340.423 3.664 20 0 EHADRM C[C@H](C(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-])c1ccsc1 ZINC000825978011 601093006 /nfs/dbraw/zinc/09/30/06/601093006.db2.gz VKTDDXTXEYGQRX-MAZHCROVSA-N -1 0 335.469 3.734 20 0 EHADRM C/C(=C\CSc1nnc(Cc2c(F)cccc2Cl)o1)C(=O)[O-] ZINC000736122470 601099928 /nfs/dbraw/zinc/09/99/28/601099928.db2.gz VNDHPFIYKYZXNI-VMPITWQZSA-N -1 0 342.779 3.576 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NCc2ccc(Cl)cc2Cl)C1 ZINC000183961192 601125660 /nfs/dbraw/zinc/12/56/60/601125660.db2.gz APIFLWAOKDPLQG-NXEZZACHSA-N -1 0 330.211 3.501 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NCC2(c3ccccc3)CCCC2)C1 ZINC000183972033 601126358 /nfs/dbraw/zinc/12/63/58/601126358.db2.gz NWXMIJULDDZOMC-HZPDHXFCSA-N -1 0 329.440 3.506 20 0 EHADRM C[C@H]1c2ccccc2CN1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000828527444 601133520 /nfs/dbraw/zinc/13/35/20/601133520.db2.gz LJTANISUCBWSJM-LBPRGKRZSA-N -1 0 325.368 3.563 20 0 EHADRM CCC(C)(C)OCc1cccc(NC(=O)N2CC[C@H](C(=O)[O-])C2)c1C ZINC000818132483 601138755 /nfs/dbraw/zinc/13/87/55/601138755.db2.gz WRAPTANRXKXFTJ-AWEZNQCLSA-N -1 0 348.443 3.639 20 0 EHADRM COc1ccc([C@H](C)NC(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1F ZINC000832226681 601141505 /nfs/dbraw/zinc/14/15/05/601141505.db2.gz QXXTYZLYGPYNIW-NSHDSACASA-N -1 0 346.358 3.724 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC000832849161 601142836 /nfs/dbraw/zinc/14/28/36/601142836.db2.gz ZMFWVDPZZKSUGL-UHFFFAOYSA-N -1 0 341.338 3.920 20 0 EHADRM C[C@H](OC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1nc2ccccc2s1 ZINC000827825290 601147377 /nfs/dbraw/zinc/14/73/77/601147377.db2.gz DFHHMONDGWTPBJ-QJPTWQEYSA-N -1 0 333.409 3.792 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2nc3cc(Cl)ccc3s2)C1 ZINC000833185377 601149111 /nfs/dbraw/zinc/14/91/11/601149111.db2.gz HADKVKCHDHFRDK-BDAKNGLRSA-N -1 0 338.816 3.779 20 0 EHADRM Cc1ccc(CCCC(=O)Nc2ccc(OCC(=O)[O-])cc2C)s1 ZINC000237700140 601151136 /nfs/dbraw/zinc/15/11/36/601151136.db2.gz HLCWNZFKBVGLLV-UHFFFAOYSA-N -1 0 347.436 3.790 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc(F)cc2C(F)(F)F)C1 ZINC000833186439 601154802 /nfs/dbraw/zinc/15/48/02/601154802.db2.gz MFMXOAXYTUAGLP-BDAKNGLRSA-N -1 0 333.281 3.674 20 0 EHADRM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000828310793 601161062 /nfs/dbraw/zinc/16/10/62/601161062.db2.gz OXTADSIDUXPWJP-GTNSWQLSSA-N -1 0 342.370 3.969 20 0 EHADRM Cc1c(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cnc2ccccc12 ZINC000431667395 601165672 /nfs/dbraw/zinc/16/56/72/601165672.db2.gz YQMMCDRRHHDFJY-LIRRHRJNSA-N -1 0 348.402 3.735 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cccc(C(F)F)c1)c1ccccc1 ZINC000826044018 601166136 /nfs/dbraw/zinc/16/61/36/601166136.db2.gz AZLBLEJKSCHVTB-ABAIWWIYSA-N -1 0 333.334 3.816 20 0 EHADRM C[C@H](OC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ncc(-c2ccccc2)o1 ZINC000827827133 601175691 /nfs/dbraw/zinc/17/56/91/601175691.db2.gz QKRYUPGXUWOXTN-QEJZJMRPSA-N -1 0 343.379 3.837 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)OCc2ccc(Cl)c3cccnc23)C1 ZINC000833189262 601176881 /nfs/dbraw/zinc/17/68/81/601176881.db2.gz QWCMBNNOQWRHPW-NWDGAFQWSA-N -1 0 347.798 3.822 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C1CC(OCc2ccccc2)C1 ZINC000832917630 601178799 /nfs/dbraw/zinc/17/87/99/601178799.db2.gz ZTYNWYIDYATFPY-UHFFFAOYSA-N -1 0 339.391 3.627 20 0 EHADRM Cc1ccc(-c2nc(COC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)co2)cc1 ZINC000832908104 601184813 /nfs/dbraw/zinc/18/48/13/601184813.db2.gz FRWRGOJJXGLBSD-HUUCEWRRSA-N -1 0 343.379 3.584 20 0 EHADRM Cc1cc(COC(=O)c2cc(N)cc(Cl)c2Cl)oc1C(=O)[O-] ZINC000832886312 601190082 /nfs/dbraw/zinc/19/00/82/601190082.db2.gz XBVABSIMXUQUBQ-UHFFFAOYSA-N -1 0 344.150 3.532 20 0 EHADRM CC(C)=C(C)C(=O)OCc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000826641700 601194263 /nfs/dbraw/zinc/19/42/63/601194263.db2.gz FZCWYJVYKRKOQZ-UHFFFAOYSA-N -1 0 331.393 3.908 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1c(Cl)cccc1Cl ZINC000237053546 601196197 /nfs/dbraw/zinc/19/61/97/601196197.db2.gz IMXUWHSKSSJAFR-UHFFFAOYSA-N -1 0 338.190 3.964 20 0 EHADRM CC(C)c1ccccc1OS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000827140066 601204991 /nfs/dbraw/zinc/20/49/91/601204991.db2.gz XRUPZJGQZIWMDO-XFXZXTDPSA-N -1 0 346.404 3.676 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2cc(-c3cccc(Cl)c3)[nH]n2)C1 ZINC000833185717 601209960 /nfs/dbraw/zinc/20/99/60/601209960.db2.gz ILTAVNZVKBTTBT-RYUDHWBXSA-N -1 0 347.802 3.560 20 0 EHADRM CO[C@@H](C)c1nc(CNc2ccc(Cl)c(C(=O)[O-])c2)cs1 ZINC000831501605 601223234 /nfs/dbraw/zinc/22/32/34/601223234.db2.gz UQLPXPNVHWMHOI-QMMMGPOBSA-N -1 0 326.805 3.814 20 0 EHADRM O=C([O-])c1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)ccn1 ZINC000238159023 601242546 /nfs/dbraw/zinc/24/25/46/601242546.db2.gz HHQKUIITDXUYCE-UHFFFAOYSA-N -1 0 346.386 3.622 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)c1ccccc1 ZINC000237622377 601244266 /nfs/dbraw/zinc/24/42/66/601244266.db2.gz LARIKTMBHXEWGY-UFBFGSQYSA-N -1 0 341.194 3.513 20 0 EHADRM O=C([O-])c1cc(C(=O)N2CCC[C@@H]2c2cccc3ccccc32)ccn1 ZINC000237979316 601244530 /nfs/dbraw/zinc/24/45/30/601244530.db2.gz ORZAJYNEKDBMOF-LJQANCHMSA-N -1 0 346.386 3.910 20 0 EHADRM O=C([O-])Nc1cc(NCc2cc3c(c(Cl)c2)OCO3)ccc1F ZINC000833282445 601249843 /nfs/dbraw/zinc/24/98/43/601249843.db2.gz HGWMRNLFZBGXEA-UHFFFAOYSA-N -1 0 338.722 3.910 20 0 EHADRM COc1cccc(/C(C)=C\C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000832528438 601253333 /nfs/dbraw/zinc/25/33/33/601253333.db2.gz LPZDIRFWQJYTPY-POHAHGRESA-N -1 0 347.317 3.714 20 0 EHADRM CN(C(=O)c1cc(C2CC2)nc2ccc(Cl)cc21)C(C)(C)C(=O)[O-] ZINC000262731080 601264175 /nfs/dbraw/zinc/26/41/75/601264175.db2.gz DDSJHSYSGBEANU-UHFFFAOYSA-N -1 0 346.814 3.701 20 0 EHADRM COc1cccc(/C(C)=C\C(=O)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC000776644437 601265365 /nfs/dbraw/zinc/26/53/65/601265365.db2.gz TZPKASYCBMVJOT-OWBHPGMISA-N -1 0 339.391 3.754 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000237055824 601276984 /nfs/dbraw/zinc/27/69/84/601276984.db2.gz SWNWHQZLSXIXQO-GOSISDBHSA-N -1 0 341.407 3.509 20 0 EHADRM C[C@]1(CCc2ccccc2)CCN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000262525458 601278555 /nfs/dbraw/zinc/27/85/55/601278555.db2.gz GJVJIMFFDNMGHJ-OPYAIIAOSA-N -1 0 343.467 3.749 20 0 EHADRM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237389088 601278695 /nfs/dbraw/zinc/27/86/95/601278695.db2.gz KBLYCUIAVPZURR-BEFAXECRSA-N -1 0 337.419 3.722 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H](C)C2CCCC2)cc1 ZINC000832777719 601283279 /nfs/dbraw/zinc/28/32/79/601283279.db2.gz ZBDAQTYSIPHXGD-MLGOLLRUSA-N -1 0 335.469 3.867 20 0 EHADRM C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000827942191 601288122 /nfs/dbraw/zinc/28/81/22/601288122.db2.gz QUTDWKDIQYJXOE-BBATYDOGSA-N -1 0 347.798 3.531 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ccnc(C(=O)[O-])c1 ZINC000237393911 601293283 /nfs/dbraw/zinc/29/32/83/601293283.db2.gz AKGIIJUHQWTYLW-NEPJUHHUSA-N -1 0 346.814 3.697 20 0 EHADRM Cc1c2ccccc2oc1C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000237544707 601295399 /nfs/dbraw/zinc/29/53/99/601295399.db2.gz GIDVBYBZBNJZDD-SUMWQHHRSA-N -1 0 337.375 3.933 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)CCc1ccc(Cl)cc1)c1ccccc1 ZINC000237502022 601296804 /nfs/dbraw/zinc/29/68/04/601296804.db2.gz BQDMWKCAJCXINV-SCLBCKFNSA-N -1 0 345.826 3.851 20 0 EHADRM COc1cc(NCc2cc(C(=O)[O-])c(C)o2)ccc1Br ZINC000234928451 601301758 /nfs/dbraw/zinc/30/17/58/601301758.db2.gz ORVOOQRHNXKZES-UHFFFAOYSA-N -1 0 340.173 3.669 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)NCCCCC(=O)[O-] ZINC000666559452 601302938 /nfs/dbraw/zinc/30/29/38/601302938.db2.gz VSRNOPPPSRVTLK-QWHCGFSZSA-N -1 0 340.851 3.728 20 0 EHADRM Cn1cc(NC(=O)c2cccc(Oc3ccccc3)c2)cc1C(=O)[O-] ZINC000833051310 601316014 /nfs/dbraw/zinc/31/60/14/601316014.db2.gz SXUFVMRFUNAJMT-UHFFFAOYSA-N -1 0 336.347 3.768 20 0 EHADRM CC(C)[C@@H](SCc1ccccc1)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000826722377 601323562 /nfs/dbraw/zinc/32/35/62/601323562.db2.gz HILBJCFLMPVJNA-MRXNPFEDSA-N -1 0 346.452 3.620 20 0 EHADRM CS/C=C\C(=O)Nc1ccc(Oc2ccccc2)cc1C(=O)[O-] ZINC000832747690 601341977 /nfs/dbraw/zinc/34/19/77/601341977.db2.gz IGZBARQFEBNOMF-KTKRTIGZSA-N -1 0 329.377 3.992 20 0 EHADRM COCc1ccc(S[C@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)cc1 ZINC000831817693 601348618 /nfs/dbraw/zinc/34/86/18/601348618.db2.gz RUJXXKSNUHSHKS-GFCCVEGCSA-N -1 0 347.436 3.840 20 0 EHADRM C[C@@H](c1ccsc1)c1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC000827957738 601365979 /nfs/dbraw/zinc/36/59/79/601365979.db2.gz PDMKOJRGHXWPSQ-JTQLQIEISA-N -1 0 330.365 3.560 20 0 EHADRM O=C([O-])c1cccc(OCc2noc(CCCc3ccccc3)n2)c1 ZINC000833333933 601368580 /nfs/dbraw/zinc/36/85/80/601368580.db2.gz RKDTUIPSNZOXHA-UHFFFAOYSA-N -1 0 338.363 3.522 20 0 EHADRM CCOC(=O)/C=C/c1ccc(NCc2cc(C(=O)[O-])oc2CC)cc1 ZINC000829837909 601390024 /nfs/dbraw/zinc/39/00/24/601390024.db2.gz PGJAKROSGDNZKK-JXMROGBWSA-N -1 0 343.379 3.729 20 0 EHADRM C/C(=C\C(=O)Nc1cccc(OCC(=O)[O-])c1)c1cccc(Cl)c1 ZINC000825724168 601394672 /nfs/dbraw/zinc/39/46/72/601394672.db2.gz JOXIIKUGQAHKEO-XYOKQWHBSA-N -1 0 345.782 3.845 20 0 EHADRM O=C([O-])c1nn(CN2CCC[C@H]2c2cccs2)c2ccccc21 ZINC000833347287 601396810 /nfs/dbraw/zinc/39/68/10/601396810.db2.gz XEAATCKQQAEQRN-AWEZNQCLSA-N -1 0 327.409 3.591 20 0 EHADRM Cc1nc(CCCC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)cs1 ZINC000832999189 601397031 /nfs/dbraw/zinc/39/70/31/601397031.db2.gz VERWAMRTTXJMIM-UHFFFAOYSA-N -1 0 333.413 3.527 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CSc1nnc(-c2ccoc2C)o1 ZINC000830398404 601405235 /nfs/dbraw/zinc/40/52/35/601405235.db2.gz LIVIIVDOJGFJJD-UHFFFAOYSA-N -1 0 334.353 3.784 20 0 EHADRM Cc1cc([C@H](C)NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)ccc1F ZINC000832871480 601425975 /nfs/dbraw/zinc/42/59/75/601425975.db2.gz SALANOKTPYOLPZ-LBPRGKRZSA-N -1 0 342.370 3.619 20 0 EHADRM C/C(=C\COC(=O)c1ccc(Oc2ccccc2Cl)nc1)C(=O)[O-] ZINC000825780861 601429128 /nfs/dbraw/zinc/42/91/28/601429128.db2.gz JZQLUKCLPHCWQZ-DHZHZOJOSA-N -1 0 347.754 3.715 20 0 EHADRM C/C(=C/COC(=O)c1cc(C2CC2)nc2ccc(C)cc21)C(=O)[O-] ZINC000825770150 601429390 /nfs/dbraw/zinc/42/93/90/601429390.db2.gz VKMBSENADAKYFM-GHXNOFRVSA-N -1 0 325.364 3.608 20 0 EHADRM CC1(C)CCC[C@H]1N(Cc1ccccc1)C(=O)CCSCC(=O)[O-] ZINC000828060020 601430656 /nfs/dbraw/zinc/43/06/56/601430656.db2.gz AEIQXJGMZXCYNI-MRXNPFEDSA-N -1 0 349.496 3.802 20 0 EHADRM O=C([O-])[C@@H](OC(=O)Cc1coc2cc(F)ccc12)c1ccccc1F ZINC000833120420 601431182 /nfs/dbraw/zinc/43/11/82/601431182.db2.gz ZIHCPTXAEWAWBO-KRWDZBQOSA-N -1 0 346.285 3.623 20 0 EHADRM Cc1cccc2sc(C(=O)NC3(CC(=O)[O-])CCC3)c(Cl)c21 ZINC000678979001 601437761 /nfs/dbraw/zinc/43/77/61/601437761.db2.gz KEQKLLKXKPUJOB-UHFFFAOYSA-N -1 0 337.828 3.990 20 0 EHADRM CCO[C@H]1C[C@@H](NC(=O)c2ccc(NC(=O)[O-])cc2)C12CCCCC2 ZINC000829931616 601438733 /nfs/dbraw/zinc/43/87/33/601438733.db2.gz RFZLKXGEVFWUPD-CVEARBPZSA-N -1 0 346.427 3.634 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000237011942 601445484 /nfs/dbraw/zinc/44/54/84/601445484.db2.gz DNYZGYRGVPABHU-HNNXBMFYSA-N -1 0 331.343 3.628 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000666362101 601445635 /nfs/dbraw/zinc/44/56/35/601445635.db2.gz PYLZGXJRSLKSNC-MRXNPFEDSA-N -1 0 327.380 3.798 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)cc1 ZINC000828758672 601445942 /nfs/dbraw/zinc/44/59/42/601445942.db2.gz NHRLGOHUJNWDAA-ZDUSSCGKSA-N -1 0 339.391 3.765 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000776629268 601457614 /nfs/dbraw/zinc/45/76/14/601457614.db2.gz XTMXAPOHXYLXDB-ABSDTBQOSA-N -1 0 325.408 3.703 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000237108887 601458382 /nfs/dbraw/zinc/45/83/82/601458382.db2.gz VVIZEMKQGSXEBC-RFAUZJTJSA-N -1 0 348.226 3.520 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000237005767 601461837 /nfs/dbraw/zinc/46/18/37/601461837.db2.gz ACKLNEWSDVTEHG-ZBEGNZNMSA-N -1 0 345.361 3.959 20 0 EHADRM COc1ccc(C2(C(=O)O[C@@H](C)c3ccc(C(=O)[O-])o3)CCC2)cc1 ZINC000832264415 601464687 /nfs/dbraw/zinc/46/46/87/601464687.db2.gz CIVXYJQJFFSEBE-LBPRGKRZSA-N -1 0 344.363 3.713 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC000829014160 601469037 /nfs/dbraw/zinc/46/90/37/601469037.db2.gz DNMSQKNUGWUXHF-IRXDYDNUSA-N -1 0 328.364 3.522 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)CCc1ccc(Cl)s1 ZINC000262493400 601471013 /nfs/dbraw/zinc/47/10/13/601471013.db2.gz GUNAEYGBRFOHBT-INIZCTEOSA-N -1 0 349.839 3.545 20 0 EHADRM Cc1[nH]ccc1C(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000832847588 601474673 /nfs/dbraw/zinc/47/46/73/601474673.db2.gz NMMOTHYFMXKELP-UHFFFAOYSA-N -1 0 342.376 3.502 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)O[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000832220814 601475234 /nfs/dbraw/zinc/47/52/34/601475234.db2.gz ICNWEKPFRCOCRR-SGTLLEGYSA-N -1 0 346.354 3.697 20 0 EHADRM CCS[C@H]1CCCC[C@H]1NC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000830158569 601478059 /nfs/dbraw/zinc/47/80/59/601478059.db2.gz XZWMDYIBYQUCOU-OCCSQVGLSA-N -1 0 340.420 3.710 20 0 EHADRM CCS[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000830158321 601479543 /nfs/dbraw/zinc/47/95/43/601479543.db2.gz UCYSQVBDGWZJHT-UONOGXRCSA-N -1 0 337.445 3.962 20 0 EHADRM CCC1CCC(NCc2nc(-c3ccccc3C)no2)(C(=O)[O-])CC1 ZINC000829107802 601494420 /nfs/dbraw/zinc/49/44/20/601494420.db2.gz PKQHMDBPPNRWKO-UHFFFAOYSA-N -1 0 343.427 3.558 20 0 EHADRM Cc1ccc(/C=C/CC(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000237795931 601498594 /nfs/dbraw/zinc/49/85/94/601498594.db2.gz KUPYYWPHBVDTIY-OMDKTOEGSA-N -1 0 329.421 3.792 20 0 EHADRM Cc1ccc(/C=C\CC(=O)NCCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000832930647 601503242 /nfs/dbraw/zinc/50/32/42/601503242.db2.gz YXKHNDOTEAFORZ-IHWYPQMZSA-N -1 0 338.407 3.847 20 0 EHADRM Cc1cc2occ(CC(=O)N[C@H](CC(=O)[O-])C3CC3)c2cc1C(C)C ZINC000767071049 601529925 /nfs/dbraw/zinc/52/99/25/601529925.db2.gz DFIPDEDCWDFXMF-QGZVFWFLSA-N -1 0 343.423 3.777 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000826647194 601540118 /nfs/dbraw/zinc/54/01/18/601540118.db2.gz AENAGEJVXJFVIN-HNNXBMFYSA-N -1 0 333.453 3.728 20 0 EHADRM CCCCc1nc(CN2CCc3ccccc3[C@H]2C(=O)[O-])cs1 ZINC000829441293 601545700 /nfs/dbraw/zinc/54/57/00/601545700.db2.gz SRDOMJGWWALIKT-KRWDZBQOSA-N -1 0 330.453 3.670 20 0 EHADRM Cc1cc(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)cc(C)c1OCC(=O)[O-] ZINC000262266971 601564481 /nfs/dbraw/zinc/56/44/81/601564481.db2.gz XMMMSCGLLSRUNZ-HLLBOEOZSA-N -1 0 345.439 3.560 20 0 EHADRM CC[C@](NC(=O)/C=C/SCc1ccco1)(C(=O)[O-])c1ccccc1 ZINC000492831796 601572004 /nfs/dbraw/zinc/57/20/04/601572004.db2.gz BPDJCNLZTBPZDS-NCUBBLFSSA-N -1 0 345.420 3.533 20 0 EHADRM CN(Cc1ccc(NC(=O)/C=C\SCc2ccco2)cc1)C(=O)[O-] ZINC000830831463 601572466 /nfs/dbraw/zinc/57/24/66/601572466.db2.gz YSJZYMXVHSMOKZ-NTMALXAHSA-N -1 0 346.408 3.775 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000776650848 601585929 /nfs/dbraw/zinc/58/59/29/601585929.db2.gz NCZKZDOTHIRWPB-MEDUHNTESA-N -1 0 349.789 3.600 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccc(C2CC2)cn1)c1cccc(Cl)c1 ZINC000833352135 601600622 /nfs/dbraw/zinc/60/06/22/601600622.db2.gz ZOYURJVVEQCUPW-OAHLLOKOSA-N -1 0 331.755 3.595 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)/C=C\SCc1ccco1)c1ccccc1 ZINC000492344858 601611792 /nfs/dbraw/zinc/61/17/92/601611792.db2.gz CFVYDBQXBCMZCM-HCUKFCKBSA-N -1 0 345.420 3.605 20 0 EHADRM CSc1cccc(NC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000832790809 601614418 /nfs/dbraw/zinc/61/44/18/601614418.db2.gz VLABTDLNJOLWHX-BLLLJJGKSA-N -1 0 344.436 3.992 20 0 EHADRM Cc1ccc(F)cc1NC(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832934037 601614672 /nfs/dbraw/zinc/61/46/72/601614672.db2.gz HKWYSDAIPSFYSP-MLGOLLRUSA-N -1 0 330.359 3.718 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Nc1ccc2c(c1)CCC2)c1ccccc1 ZINC000826038551 601615010 /nfs/dbraw/zinc/61/50/10/601615010.db2.gz GLNXIZGTGDZDMI-FZKQIMNGSA-N -1 0 338.407 3.759 20 0 EHADRM Cc1cccc(C)c1NC(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832965583 601615240 /nfs/dbraw/zinc/61/52/40/601615240.db2.gz QQHVBUSTAXSANK-PBHICJAKSA-N -1 0 326.396 3.887 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1cc(Oc2ccccc2)ccn1 ZINC000238094507 601615918 /nfs/dbraw/zinc/61/59/18/601615918.db2.gz ZIWIGMKLFAYZAC-UHFFFAOYSA-N -1 0 348.358 3.753 20 0 EHADRM Cc1ccc(C(=O)Nc2ccccc2CC(=O)[O-])cc1-n1cccc1 ZINC000738258794 601617092 /nfs/dbraw/zinc/61/70/92/601617092.db2.gz VKGZVBBJWSNCCC-UHFFFAOYSA-N -1 0 334.375 3.665 20 0 EHADRM C[C@H](c1ccco1)N(C(=O)Nc1cccc(OCC(=O)[O-])c1)C1CC1 ZINC000827957230 601618936 /nfs/dbraw/zinc/61/89/36/601618936.db2.gz MIKQECKOACRGHV-GFCCVEGCSA-N -1 0 344.367 3.501 20 0 EHADRM O=C([O-])C[C@H](NC(=O)/C=C/c1ccccc1)c1ccc(Cl)cc1 ZINC000013173661 601619614 /nfs/dbraw/zinc/61/96/14/601619614.db2.gz QEHXNFJMGNAEFO-RFKZRZAASA-N -1 0 329.783 3.685 20 0 EHADRM O=C([O-])c1ccc(CSc2nnc(C3CC3)n2C2CC2)cc1F ZINC000322982867 601620664 /nfs/dbraw/zinc/62/06/64/601620664.db2.gz ZPTMCJKYANJDTN-UHFFFAOYSA-N -1 0 333.388 3.620 20 0 EHADRM Cc1cc(Sc2ccccc2)ccc1NC(=O)NC[C@@H](C)C(=O)[O-] ZINC000832905027 601621443 /nfs/dbraw/zinc/62/14/43/601621443.db2.gz NJOXKSUZQQAAHQ-CYBMUJFWSA-N -1 0 344.436 3.988 20 0 EHADRM CSc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)o1 ZINC000345909556 601622204 /nfs/dbraw/zinc/62/22/04/601622204.db2.gz PAFYBVHLGJTRCP-NSHDSACASA-N -1 0 339.800 3.601 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000830168825 601624301 /nfs/dbraw/zinc/62/43/01/601624301.db2.gz JLKJLYFCBMMTMC-UHFFFAOYSA-N -1 0 338.816 3.741 20 0 EHADRM C[C@@H](c1ccco1)N(C(=O)Nc1ccc(CNC(=O)[O-])cc1)C1CC1 ZINC000827956141 601625149 /nfs/dbraw/zinc/62/51/49/601625149.db2.gz FWBRBKBNBQIHPQ-LBPRGKRZSA-N -1 0 343.383 3.805 20 0 EHADRM CC(C)Sc1c(Cl)cccc1NC(=O)NC[C@H](C)C(=O)[O-] ZINC000653539572 601626091 /nfs/dbraw/zinc/62/60/91/601626091.db2.gz DZWBLMUABFNZBB-VIFPVBQESA-N -1 0 330.837 3.683 20 0 EHADRM O=C([O-])CN(C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)C1CC1 ZINC000238084120 601636208 /nfs/dbraw/zinc/63/62/08/601636208.db2.gz JOEFDROYYGJEOK-CSKARUKUSA-N -1 0 345.395 3.643 20 0 EHADRM CCCCC[C@H](NC(=O)Cc1c[nH]c2cc(Cl)ccc12)C(=O)[O-] ZINC000236649962 601641383 /nfs/dbraw/zinc/64/13/83/601641383.db2.gz JTNNWZVGUBJEFP-AWEZNQCLSA-N -1 0 336.819 3.514 20 0 EHADRM CCCCC[C@@H](NC(=O)Cc1c(C)nc2ccccc2c1C)C(=O)[O-] ZINC000236822309 601641713 /nfs/dbraw/zinc/64/17/13/601641713.db2.gz LZNWVPZXXSBWKD-GOSISDBHSA-N -1 0 342.439 3.544 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NCc1cc(-c2cccs2)on1)c1ccccc1 ZINC000826054467 601657662 /nfs/dbraw/zinc/65/76/62/601657662.db2.gz NJLKVIWPOCXTHT-PXAZEXFGSA-N -1 0 342.420 3.955 20 0 EHADRM O=C([O-])c1ccc(CSc2n[nH]c(-c3ccccc3)n2)cc1F ZINC000833316775 601672366 /nfs/dbraw/zinc/67/23/66/601672366.db2.gz DQZZRUCVOIOMSX-UHFFFAOYSA-N -1 0 329.356 3.601 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc(F)cc(Cl)c1)c1ccc(Cl)cc1 ZINC000833124481 601678775 /nfs/dbraw/zinc/67/87/75/601678775.db2.gz CQXOWQNJWVLWCC-ZDUSSCGKSA-N -1 0 342.153 3.688 20 0 EHADRM CC(C)C[C@H](C)OCCC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000262538782 601681057 /nfs/dbraw/zinc/68/10/57/601681057.db2.gz UQZXIOIDLFCPSH-AWEZNQCLSA-N -1 0 335.444 3.829 20 0 EHADRM CC(C)(CNC(=O)N1CCC[C@@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000826567354 601682208 /nfs/dbraw/zinc/68/22/08/601682208.db2.gz CYNTVZUEEUVOJB-QGZVFWFLSA-N -1 0 340.423 3.797 20 0 EHADRM O=C([O-])[C@H](OC(=O)C1(Cc2ccccc2)CC1)c1ccccc1F ZINC000833168435 601684724 /nfs/dbraw/zinc/68/47/24/601684724.db2.gz AWBMEHCTBZDZAH-MRXNPFEDSA-N -1 0 328.339 3.518 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2ccccc2SC(F)F)CCCC1 ZINC000391281065 601685579 /nfs/dbraw/zinc/68/55/79/601685579.db2.gz OQHGBLQRQTXYCT-UHFFFAOYSA-N -1 0 344.383 3.768 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCCc1csc2ccccc12)C1CC1 ZINC000776634307 601689450 /nfs/dbraw/zinc/68/94/50/601689450.db2.gz WPVZZPLUILNYDY-OAHLLOKOSA-N -1 0 331.437 3.594 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCC(=Cc3ccccc3F)CC2)c1 ZINC000833327629 601690319 /nfs/dbraw/zinc/69/03/19/601690319.db2.gz QTHNYYUDMMOIQS-UHFFFAOYSA-N -1 0 339.366 3.844 20 0 EHADRM C[C@H]1CN(C(=O)CC2CCC(c3ccccc3)CC2)C[C@@H]1C(=O)[O-] ZINC000828334675 601702610 /nfs/dbraw/zinc/70/26/10/601702610.db2.gz PFUHSVQODYXGHP-OBHHBEAMSA-N -1 0 329.440 3.530 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1ccc2ncsc2c1 ZINC000833032565 601702926 /nfs/dbraw/zinc/70/29/26/601702926.db2.gz BDPHLCQXOYCCIA-UHFFFAOYSA-N -1 0 333.390 3.721 20 0 EHADRM Cc1cccc2sc(C(=O)N3C[C@H](C(=O)[O-])[C@H](C)C3)c(Cl)c21 ZINC000832973426 601709264 /nfs/dbraw/zinc/70/92/64/601709264.db2.gz BIDYVDMILUGUCP-ZJUUUORDSA-N -1 0 337.828 3.656 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000827586396 601725736 /nfs/dbraw/zinc/72/57/36/601725736.db2.gz LWLLXJBKPKLBPU-NSHDSACASA-N -1 0 334.318 3.585 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1[nH]c2ccc(F)cc2c1Cl ZINC000738630681 601730432 /nfs/dbraw/zinc/73/04/32/601730432.db2.gz FENCVBVZZNFIOW-UHFFFAOYSA-N -1 0 346.745 3.840 20 0 EHADRM CCc1ccc(CC)c(NC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000830245144 601730685 /nfs/dbraw/zinc/73/06/85/601730685.db2.gz RDLLYXAKYWOUGX-HNNXBMFYSA-N -1 0 330.428 3.530 20 0 EHADRM C[C@@H](CC(=O)Nc1nc(CCCC(=O)[O-])cs1)CC(C)(C)C ZINC000387869917 601747531 /nfs/dbraw/zinc/74/75/31/601747531.db2.gz BADMOYBFVLLOAA-NSHDSACASA-N -1 0 326.462 3.951 20 0 EHADRM CCOc1cc(C)ccc1CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000830044684 601753066 /nfs/dbraw/zinc/75/30/66/601753066.db2.gz PMMAEZATVWUWTC-UHFFFAOYSA-N -1 0 346.358 3.553 20 0 EHADRM CCOc1cc(C)ccc1CNC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000830044787 601753197 /nfs/dbraw/zinc/75/31/97/601753197.db2.gz SXNTWOZYRDUGAB-UHFFFAOYSA-N -1 0 343.383 3.805 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC000832994683 601753548 /nfs/dbraw/zinc/75/35/48/601753548.db2.gz WPRGGXIUIMVCTE-GFCCVEGCSA-N -1 0 338.473 3.512 20 0 EHADRM COc1ccc2oc(C(=O)N[C@H](C(=O)[O-])C3CCCCC3)c(C)c2c1 ZINC000832510483 601754474 /nfs/dbraw/zinc/75/44/74/601754474.db2.gz QEADCKYNMYPROO-INIZCTEOSA-N -1 0 345.395 3.513 20 0 EHADRM COc1ccc2oc(C(=O)N[C@@H](C(=O)[O-])C3CCCCC3)c(C)c2c1 ZINC000832510484 601754477 /nfs/dbraw/zinc/75/44/77/601754477.db2.gz QEADCKYNMYPROO-MRXNPFEDSA-N -1 0 345.395 3.513 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)N3C[C@H](C(=O)[O-])[C@H](C)C3)cc2s1 ZINC000827153623 601789561 /nfs/dbraw/zinc/78/95/61/601789561.db2.gz VESURTHLZOUQKA-PWSUYJOCSA-N -1 0 347.440 3.604 20 0 EHADRM COc1cccc([C@H](C)CC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000237322194 601801262 /nfs/dbraw/zinc/80/12/62/601801262.db2.gz BMMRXJZHUSSSHH-CQSZACIVSA-N -1 0 341.407 3.546 20 0 EHADRM CN(C)c1ccc(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])cc1 ZINC000830635857 601809973 /nfs/dbraw/zinc/80/99/73/601809973.db2.gz RYZIBALZXMUJAO-UHFFFAOYSA-N -1 0 330.409 3.642 20 0 EHADRM COCc1cccc(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])c1 ZINC000831817314 601810014 /nfs/dbraw/zinc/81/00/14/601810014.db2.gz ITKLFMWLPHJMOT-UHFFFAOYSA-N -1 0 331.393 3.722 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000392038782 601814385 /nfs/dbraw/zinc/81/43/85/601814385.db2.gz ODMPCBFWWBPCSW-UHFFFAOYSA-N -1 0 347.308 3.562 20 0 EHADRM C[C@@H](C(=O)N1CCC(CCC(=O)[O-])CC1)c1ccc(Cl)s1 ZINC000574258423 601822112 /nfs/dbraw/zinc/82/21/12/601822112.db2.gz NVAVWHCRDMLOFW-SNVBAGLBSA-N -1 0 329.849 3.608 20 0 EHADRM CCO[C@@H](C)c1nc(CN(C)Cc2ccsc2C(=O)[O-])cs1 ZINC000569009816 601834116 /nfs/dbraw/zinc/83/41/16/601834116.db2.gz AVDCEASVIUGNTO-JTQLQIEISA-N -1 0 340.470 3.632 20 0 EHADRM CC(C)c1cccc(NC(=S)NCc2cccc(C(=O)[O-])c2)c1 ZINC000827134294 601846052 /nfs/dbraw/zinc/84/60/52/601846052.db2.gz PRCKMOGJCXXZQZ-UHFFFAOYSA-N -1 0 328.437 3.995 20 0 EHADRM C[C@H](SCc1ccc(C(=O)[O-])s1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000827909114 601846848 /nfs/dbraw/zinc/84/68/48/601846848.db2.gz RYENFYNQMSRWLY-GMXVVIOVSA-N -1 0 341.498 3.763 20 0 EHADRM O=C([O-])c1ccc(CSCC(=O)NC2CCCCCC2)s1 ZINC000833116227 601847142 /nfs/dbraw/zinc/84/71/42/601847142.db2.gz WQUSXDOWGXKWHY-UHFFFAOYSA-N -1 0 327.471 3.519 20 0 EHADRM O=C([O-])c1ccc(CSCCCn2c(=O)[nH]c3ccccc32)s1 ZINC000833316389 601847393 /nfs/dbraw/zinc/84/73/93/601847393.db2.gz DAKLMDCQXPDEJS-UHFFFAOYSA-N -1 0 348.449 3.825 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000828645332 601868244 /nfs/dbraw/zinc/86/82/44/601868244.db2.gz MPKNPHOGPQTUKQ-SFHVURJKSA-N -1 0 346.814 3.775 20 0 EHADRM Cc1nc(CN[C@@H](C(=O)[O-])C(C)(C)C)oc1-c1ccc(Cl)cc1 ZINC000832997576 601871552 /nfs/dbraw/zinc/87/15/52/601871552.db2.gz FXPATMLYCYQWGA-HNNXBMFYSA-N -1 0 336.819 3.892 20 0 EHADRM O=C([O-])c1sccc1CSc1nc2cc(F)c(F)cc2[nH]1 ZINC000833348201 601894065 /nfs/dbraw/zinc/89/40/65/601894065.db2.gz DCXXYUZNUWOZIN-UHFFFAOYSA-N -1 0 326.349 3.893 20 0 EHADRM Cc1ccc(CN(C(=O)C2CCC(NC(=O)[O-])CC2)C(C)C)s1 ZINC000740121266 601905342 /nfs/dbraw/zinc/90/53/42/601905342.db2.gz HEJIXQNGALLNHK-UHFFFAOYSA-N -1 0 338.473 3.620 20 0 EHADRM C[C@@H]1CCCC[C@H]1N(C)C(=O)CSCc1ccc(C(=O)[O-])s1 ZINC000828245760 601911822 /nfs/dbraw/zinc/91/18/22/601911822.db2.gz NQOHXYUOOZCYPW-DGCLKSJQSA-N -1 0 341.498 3.717 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)c1 ZINC000537369644 601924449 /nfs/dbraw/zinc/92/44/49/601924449.db2.gz UMKWEDXFWBXBCE-PMACEKPBSA-N -1 0 345.398 3.958 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)CCCc2ccc(Cl)cc2)c1 ZINC000532256134 601925191 /nfs/dbraw/zinc/92/51/91/601925191.db2.gz UZSGPYZJBJOTJK-UHFFFAOYSA-N -1 0 331.799 3.677 20 0 EHADRM CC(C)Oc1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)ccn1 ZINC000827038969 601976765 /nfs/dbraw/zinc/97/67/65/601976765.db2.gz XOQXIJBLGIAAAE-OAHLLOKOSA-N -1 0 349.770 3.505 20 0 EHADRM CC(C)Oc1ccc(NC(=S)Nc2ccc(NC(=O)[O-])nc2)cc1 ZINC000738865980 601978048 /nfs/dbraw/zinc/97/80/48/601978048.db2.gz URYJIJGQLRXHQY-UHFFFAOYSA-N -1 0 346.412 3.768 20 0 EHADRM O=C([O-])c1ccc(-c2nc(COC(=O)[C@@H]3CC34CCC4)cs2)cc1 ZINC000833308032 601984030 /nfs/dbraw/zinc/98/40/30/601984030.db2.gz LADLAKAHNMVODE-AWEZNQCLSA-N -1 0 343.404 3.742 20 0 EHADRM Cc1cc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2F)c(Cl)cc1F ZINC000832867929 601985209 /nfs/dbraw/zinc/98/52/09/601985209.db2.gz GNPAKUGMIKMZNJ-CQSZACIVSA-N -1 0 340.709 3.909 20 0 EHADRM Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(NC(=O)[O-])nc2)c1 ZINC000740109322 601996597 /nfs/dbraw/zinc/99/65/97/601996597.db2.gz HWEMBABACHKMFJ-UHFFFAOYSA-N -1 0 343.383 3.621 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)OCc1ccc(C(=O)[O-])s1 ZINC000832607905 602008145 /nfs/dbraw/zinc/00/81/45/602008145.db2.gz OAQXWTYUWZAXAT-GFCCVEGCSA-N -1 0 348.420 3.767 20 0 EHADRM Cc1ccc(-c2ocnc2C(=O)OCc2ccc(C(=O)[O-])s2)cc1 ZINC000832910202 602011376 /nfs/dbraw/zinc/01/13/76/602011376.db2.gz SXHBLFVKQNXSEE-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)OCc3ccc(C(=O)[O-])s3)c2c1 ZINC000832961013 602012621 /nfs/dbraw/zinc/01/26/21/602012621.db2.gz WFYDRTRFEBPOHE-UHFFFAOYSA-N -1 0 343.404 3.912 20 0 EHADRM Cn1cc(CCC(=O)OCc2ccc(C(=O)[O-])s2)c2ccccc21 ZINC000833044795 602012896 /nfs/dbraw/zinc/01/28/96/602012896.db2.gz GRMRMVFTJMUYEI-UHFFFAOYSA-N -1 0 343.404 3.614 20 0 EHADRM CC[C@@H](C(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC000236955090 602014907 /nfs/dbraw/zinc/01/49/07/602014907.db2.gz WWWINPAGAZXIPL-CZUORRHYSA-N -1 0 343.345 3.522 20 0 EHADRM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1C(=O)c1cccc(Cl)c1Cl ZINC000739011968 602021253 /nfs/dbraw/zinc/02/12/53/602021253.db2.gz QZUHRGXPYNQILF-CABZTGNLSA-N -1 0 345.226 3.644 20 0 EHADRM CCSc1cc(C(=O)Nc2cc(NC(=O)[O-])ccc2F)ccn1 ZINC000739515858 602025825 /nfs/dbraw/zinc/02/58/25/602025825.db2.gz BIBIQXSZOUIZIG-UHFFFAOYSA-N -1 0 335.360 3.675 20 0 EHADRM CSc1cccc(NC(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])c1 ZINC000832790225 602026057 /nfs/dbraw/zinc/02/60/57/602026057.db2.gz KKSJUSLZJZULPP-CABCVRRESA-N -1 0 336.457 3.954 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)c2cc3cc(F)ccc3[nH]2)c1 ZINC000740706109 602027442 /nfs/dbraw/zinc/02/74/42/602027442.db2.gz YYHMTSABRBVJCE-UHFFFAOYSA-N -1 0 331.278 3.788 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)CCC(=O)c2ccccc2)c1 ZINC000740708126 602027532 /nfs/dbraw/zinc/02/75/32/602027532.db2.gz ZCPHYVOZEPIFGK-UHFFFAOYSA-N -1 0 330.315 3.517 20 0 EHADRM CC1(CNC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)CCC1 ZINC000828102708 602027984 /nfs/dbraw/zinc/02/79/84/602027984.db2.gz WAVDKEGGJZONIO-UHFFFAOYSA-N -1 0 330.306 3.715 20 0 EHADRM Cc1nc2ccc(NC(=O)N[C@H]3CCCCCC[C@@H]3C(=O)[O-])cc2o1 ZINC000833006682 602028976 /nfs/dbraw/zinc/02/89/76/602028976.db2.gz SKCFKOGEKQQEEE-KBPBESRZSA-N -1 0 345.399 3.681 20 0 EHADRM Cc1ccc2cccc(NC(=O)CCCCCCNC(=O)[O-])c2n1 ZINC000740156086 602033927 /nfs/dbraw/zinc/03/39/27/602033927.db2.gz KGXDAXFQJOTFNJ-UHFFFAOYSA-N -1 0 329.400 3.700 20 0 EHADRM CCCOc1ccc(NC(=O)NCc2cccc(C(=O)[O-])c2)c(C)c1 ZINC000669496840 602034194 /nfs/dbraw/zinc/03/41/94/602034194.db2.gz YLUARGQHXWDRBA-UHFFFAOYSA-N -1 0 342.395 3.804 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)Nc1cccc2[nH]ccc21 ZINC000833159949 602037692 /nfs/dbraw/zinc/03/76/92/602037692.db2.gz NRAPMIDDUPTSTH-CZUORRHYSA-N -1 0 329.400 3.713 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)Nc1cccc2[nH]ccc21 ZINC000833159948 602037970 /nfs/dbraw/zinc/03/79/70/602037970.db2.gz NRAPMIDDUPTSTH-CJNGLKHVSA-N -1 0 329.400 3.713 20 0 EHADRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)[C@@H]1CC12CCC2 ZINC000832848068 602054461 /nfs/dbraw/zinc/05/44/61/602054461.db2.gz MSWXTVLYXLSVLF-JTQLQIEISA-N -1 0 338.201 3.584 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)/C=C\SCc1ccco1)c1ccccc1 ZINC000828595342 602054694 /nfs/dbraw/zinc/05/46/94/602054694.db2.gz WTTVZXGEQNHMAS-DMIOIOJGSA-N -1 0 345.420 3.923 20 0 EHADRM Cc1cc(Br)ccc1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000087844637 602065789 /nfs/dbraw/zinc/06/57/89/602065789.db2.gz KYIFRONEXTULDL-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000263186065 602069026 /nfs/dbraw/zinc/06/90/26/602069026.db2.gz WTXPTVISISZKJP-XYPHTWIQSA-N -1 0 333.428 3.626 20 0 EHADRM Cc1ccc(-c2cc(C(=O)Nc3cccc(CC(=O)[O-])c3)on2)cc1 ZINC000237710369 602072130 /nfs/dbraw/zinc/07/21/30/602072130.db2.gz YRXRRXMOIHQKFN-UHFFFAOYSA-N -1 0 336.347 3.529 20 0 EHADRM Cc1ccc(C(=O)O[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)n1C ZINC000832917869 602082295 /nfs/dbraw/zinc/08/22/95/602082295.db2.gz CCZFKQHORJXWMG-ZDUSSCGKSA-N -1 0 342.178 3.623 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC000582290662 602097176 /nfs/dbraw/zinc/09/71/76/602097176.db2.gz QQAOCKZDYRTKSS-UHFFFAOYSA-N -1 0 339.395 3.558 20 0 EHADRM CSCCc1ccc(NC(=O)c2ccc(CNC(=O)[O-])cc2)cc1 ZINC000740015024 602099622 /nfs/dbraw/zinc/09/96/22/602099622.db2.gz SVTRRGCLAGIGAN-UHFFFAOYSA-N -1 0 344.436 3.612 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000827256618 602106597 /nfs/dbraw/zinc/10/65/97/602106597.db2.gz JLIITARIPCJHLS-ZANVPECISA-N -1 0 330.211 3.768 20 0 EHADRM CCO[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)C12CCC2 ZINC000829918090 602107635 /nfs/dbraw/zinc/10/76/35/602107635.db2.gz MRGOVIGKOCNEQE-CVEARBPZSA-N -1 0 346.427 3.505 20 0 EHADRM CS/C=C/C(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C1CC1 ZINC000832752832 602111583 /nfs/dbraw/zinc/11/15/83/602111583.db2.gz CDLLYVMCPOPVAW-BQYQJAHWSA-N -1 0 331.393 3.765 20 0 EHADRM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1ccc2sccc2c1 ZINC000346012626 602112542 /nfs/dbraw/zinc/11/25/42/602112542.db2.gz GOYAHTLPNNERBE-MRXNPFEDSA-N -1 0 337.400 3.553 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000262041055 602121478 /nfs/dbraw/zinc/12/14/78/602121478.db2.gz CXEGZJDXFUHUDH-QGZVFWFLSA-N -1 0 349.427 3.525 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)Nc1ccc2oc(C(C)C)nc2c1 ZINC000739230761 602121520 /nfs/dbraw/zinc/12/15/20/602121520.db2.gz GHIOFJAPNCLQQY-YGRLFVJLSA-N -1 0 333.388 3.572 20 0 EHADRM Cc1ccccc1-c1nc(COc2ccccc2NC(=O)[O-])no1 ZINC000832974342 602126950 /nfs/dbraw/zinc/12/69/50/602126950.db2.gz JMHJMPWAXNHJCZ-UHFFFAOYSA-N -1 0 325.324 3.714 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N(Cc1ccccc1)[C@@H](C)c1ccccc1 ZINC000827247603 602129348 /nfs/dbraw/zinc/12/93/48/602129348.db2.gz OPPKMVZGWIUAFZ-CVEARBPZSA-N -1 0 325.408 3.887 20 0 EHADRM CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 ZINC000739295019 602133525 /nfs/dbraw/zinc/13/35/25/602133525.db2.gz JRRUVDDZWFHJIG-GOSISDBHSA-N -1 0 345.399 3.723 20 0 EHADRM CC(C)[C@H](NC(=O)[C@H](C)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000827270888 602140867 /nfs/dbraw/zinc/14/08/67/602140867.db2.gz FEIJYBAMACLQPR-YGRLFVJLSA-N -1 0 331.334 3.630 20 0 EHADRM COc1ccc(Sc2ccc(NC(=O)[C@H](C)CC(=O)[O-])cc2)cc1 ZINC000832476005 602147075 /nfs/dbraw/zinc/14/70/75/602147075.db2.gz BOMTXHYSCFAALK-GFCCVEGCSA-N -1 0 345.420 3.896 20 0 EHADRM CCO[C@H](CC(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1)C(C)C ZINC000829912152 602159705 /nfs/dbraw/zinc/15/97/05/602159705.db2.gz GMCQWZICKVRWNM-SNVBAGLBSA-N -1 0 342.461 3.529 20 0 EHADRM CCOc1cc(N[C@H](C(=O)[O-])c2cc(OC)cc(OC)c2)ccc1C ZINC000830049523 602169708 /nfs/dbraw/zinc/16/97/08/602169708.db2.gz FPPWIKZEZJXXLC-SFHVURJKSA-N -1 0 345.395 3.649 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N(C)[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000827240531 602175136 /nfs/dbraw/zinc/17/51/36/602175136.db2.gz MANRHHILHCTODL-HUUCEWRRSA-N -1 0 325.408 3.984 20 0 EHADRM Cc1ccccc1OCCCC(=O)Nc1ccccc1NC(=O)[O-] ZINC000740194877 602176176 /nfs/dbraw/zinc/17/61/76/602176176.db2.gz RHWSCTDHSTZSJA-UHFFFAOYSA-N -1 0 328.368 3.883 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000740715788 602179425 /nfs/dbraw/zinc/17/94/25/602179425.db2.gz OYULZLPPTQKQRG-UHFFFAOYSA-N -1 0 338.285 3.977 20 0 EHADRM CCCOc1ccc(OCC(=O)Nc2ccccc2NC(=O)[O-])cc1 ZINC000739372806 602179490 /nfs/dbraw/zinc/17/94/90/602179490.db2.gz RNCQFTGYKLTICB-UHFFFAOYSA-N -1 0 344.367 3.583 20 0 EHADRM CCn1cc(CC(=O)Nc2cc(C(=O)[O-])cs2)c2ccccc21 ZINC000191330982 602180205 /nfs/dbraw/zinc/18/02/05/602180205.db2.gz DEVOLVHIQKZUET-UHFFFAOYSA-N -1 0 328.393 3.602 20 0 EHADRM Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC000582702976 602183575 /nfs/dbraw/zinc/18/35/75/602183575.db2.gz ZWMBVENKLCIZJF-UHFFFAOYSA-N -1 0 333.409 3.896 20 0 EHADRM O=C([O-])c1csc(NC(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000191361391 602185404 /nfs/dbraw/zinc/18/54/04/602185404.db2.gz XNBYDUQKXXTHAQ-UHFFFAOYSA-N -1 0 330.192 3.934 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000832958683 602186007 /nfs/dbraw/zinc/18/60/07/602186007.db2.gz MGNSZILJPBAFLI-UHFFFAOYSA-N -1 0 338.363 3.500 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2cccc(C(F)(F)F)c2F)c1 ZINC000833342688 602187158 /nfs/dbraw/zinc/18/71/58/602187158.db2.gz LODYTALQNJYRSH-UHFFFAOYSA-N -1 0 333.262 3.857 20 0 EHADRM COc1cc(C2(C(=O)Nc3cc(C(=O)[O-])cs3)CCC2)ccc1C ZINC000831972615 602189215 /nfs/dbraw/zinc/18/92/15/602189215.db2.gz MUERDTFYBZLGAA-UHFFFAOYSA-N -1 0 345.420 3.824 20 0 EHADRM Cc1c(NC(=O)[C@@H](CC(C)C)NC(=O)[O-])cccc1C(F)(F)F ZINC000832857348 602198648 /nfs/dbraw/zinc/19/86/48/602198648.db2.gz JYXVLIVCHAALAI-GFCCVEGCSA-N -1 0 332.322 3.635 20 0 EHADRM CC(C)OCc1ccc(C(=O)Nc2cccc(CNC(=O)[O-])c2)cc1 ZINC000738862904 602201237 /nfs/dbraw/zinc/20/12/37/602201237.db2.gz FGVABKXCVIUSPQ-UHFFFAOYSA-N -1 0 342.395 3.632 20 0 EHADRM CC[C@H](C)N(C)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000828753043 602222379 /nfs/dbraw/zinc/22/23/79/602222379.db2.gz CNRLFYYKDHDMJN-LBPRGKRZSA-N -1 0 330.384 3.565 20 0 EHADRM CC[C@@H](C)CN(C)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000828747501 602229186 /nfs/dbraw/zinc/22/91/86/602229186.db2.gz QAYDQQWYBYQVHS-CYBMUJFWSA-N -1 0 344.411 3.813 20 0 EHADRM Cc1ccc(NC(=O)c2cccn2C2CCN(C(=O)[O-])CC2)cc1C ZINC000740140517 602229742 /nfs/dbraw/zinc/22/97/42/602229742.db2.gz BPOZUBDDNBLNKB-UHFFFAOYSA-N -1 0 341.411 3.672 20 0 EHADRM C[C@H](NC(=S)Nc1ccc2c(c1)CCN2C(=O)[O-])c1ccccc1 ZINC000739030386 602234703 /nfs/dbraw/zinc/23/47/03/602234703.db2.gz NPNWQRFEJLYVLD-LBPRGKRZSA-N -1 0 341.436 3.775 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000740214911 602238638 /nfs/dbraw/zinc/23/86/38/602238638.db2.gz OWMMBBPLNLYZST-UHFFFAOYSA-N -1 0 345.424 3.868 20 0 EHADRM C[C@@H](NC(=O)[C@H](Sc1ccccc1Cl)c1ccccc1)C(=O)[O-] ZINC000237424735 602242352 /nfs/dbraw/zinc/24/23/52/602242352.db2.gz WQEKMVIOOUVWPL-IAQYHMDHSA-N -1 0 349.839 3.763 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(-c2ccco2)s1)c1ccccc1 ZINC000833124620 602243748 /nfs/dbraw/zinc/24/37/48/602243748.db2.gz MFVCMSHIEMWHMI-HNNXBMFYSA-N -1 0 327.361 3.564 20 0 EHADRM O=C([O-])NC1CCC(C(=O)Nc2scnc2-c2ccccc2)CC1 ZINC000740552672 602252095 /nfs/dbraw/zinc/25/20/95/602252095.db2.gz NDSYQMQZBNMRRB-UHFFFAOYSA-N -1 0 345.424 3.575 20 0 EHADRM CCCCC[C@H](NC(=O)N1CC[C@@H](CNC(=O)[O-])C1)c1ccccc1 ZINC000739330180 602261159 /nfs/dbraw/zinc/26/11/59/602261159.db2.gz LHSFKJCUWOMYNO-RDJZCZTQSA-N -1 0 347.459 3.607 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2ccc(F)cc2)c2ccccc12 ZINC000237965028 602261890 /nfs/dbraw/zinc/26/18/90/602261890.db2.gz NLVJTBJAIHCOEO-UHFFFAOYSA-N -1 0 339.322 3.695 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cc(C(F)(F)F)ccc1F)c1ccccc1 ZINC000833349006 602263093 /nfs/dbraw/zinc/26/30/93/602263093.db2.gz ALNVTOJNKJPIJJ-ZDUSSCGKSA-N -1 0 342.244 3.827 20 0 EHADRM C/C(=C\C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12)C1CC1 ZINC000271922299 602263460 /nfs/dbraw/zinc/26/34/60/602263460.db2.gz WHFUOKCBOXNGRP-ZRDIBKRKSA-N -1 0 325.364 3.598 20 0 EHADRM CSc1cc(C(=O)OC/C=C(/C)C(=O)[O-])c(Cl)cc1Cl ZINC000832774407 602265296 /nfs/dbraw/zinc/26/52/96/602265296.db2.gz KDQSMXSBFAUOCC-CLTKARDFSA-N -1 0 335.208 3.903 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)OC(c1ccccc1F)c1ccccc1F ZINC000827333244 602266255 /nfs/dbraw/zinc/26/62/55/602266255.db2.gz IPTPVKYMDHWOKU-LLVKDONJSA-N -1 0 334.318 3.708 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000829009817 602271397 /nfs/dbraw/zinc/27/13/97/602271397.db2.gz RPUFLIQASSBKKG-CYBMUJFWSA-N -1 0 326.414 3.617 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)NC2(Cc3ccccc3)CCC2)cc1 ZINC000833266634 602276808 /nfs/dbraw/zinc/27/68/08/602276808.db2.gz UNAUYYFUPCXNSA-UHFFFAOYSA-N -1 0 338.407 3.601 20 0 EHADRM C[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739100493 602277693 /nfs/dbraw/zinc/27/76/93/602277693.db2.gz QSKXVOUIQSBFDF-WFASDCNBSA-N -1 0 331.416 3.770 20 0 EHADRM CC(C)[C@H](CC(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)[O-])C1)c1ccccc1 ZINC000738773223 602293626 /nfs/dbraw/zinc/29/36/26/602293626.db2.gz IUVNQHUJWKWVNW-JQHSSLGASA-N -1 0 346.471 3.711 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12)C(C)(C)C ZINC000826021032 602299810 /nfs/dbraw/zinc/29/98/10/602299810.db2.gz KWJVKGPBJLYEFZ-LBPRGKRZSA-N -1 0 329.396 3.924 20 0 EHADRM O=C([O-])NCCCCCCC(=O)N1CCCSc2ccccc21 ZINC000740648760 602322795 /nfs/dbraw/zinc/32/27/95/602322795.db2.gz YNKHZOMWRSLKLL-UHFFFAOYSA-N -1 0 336.457 3.734 20 0 EHADRM CC(C)c1cccc(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)n1 ZINC000827134251 602344137 /nfs/dbraw/zinc/34/41/37/602344137.db2.gz NLJZCUCJESZLSE-HNNXBMFYSA-N -1 0 333.771 3.841 20 0 EHADRM CC(C)Sc1ccccc1C(=O)NCCCN(C(=O)[O-])C(C)C ZINC000738869079 602353724 /nfs/dbraw/zinc/35/37/24/602353724.db2.gz HVNXTWHUOYOBBD-UHFFFAOYSA-N -1 0 338.473 3.695 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)cc1F ZINC000776645888 602353819 /nfs/dbraw/zinc/35/38/19/602353819.db2.gz CWTSONCQOSNVBV-JXFKEZNVSA-N -1 0 339.366 3.757 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)cc1F ZINC000776645757 602353882 /nfs/dbraw/zinc/35/38/82/602353882.db2.gz AZNVVCKTQFQSIA-VXGBXAGGSA-N -1 0 335.281 3.544 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000767200580 602354701 /nfs/dbraw/zinc/35/47/01/602354701.db2.gz KPFJTZMMQWLUCV-LLVKDONJSA-N -1 0 333.384 3.891 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)cc1F ZINC000767199995 602354832 /nfs/dbraw/zinc/35/48/32/602354832.db2.gz BQOBWSJEELTXGB-NWDGAFQWSA-N -1 0 335.281 3.544 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)cc1F ZINC000767206569 602355302 /nfs/dbraw/zinc/35/53/02/602355302.db2.gz TZHWWNXRWSASKW-KBPBESRZSA-N -1 0 333.746 3.920 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc(-c3cscn3)c2)cc1F ZINC000833153164 602356876 /nfs/dbraw/zinc/35/68/76/602356876.db2.gz GJXHCTUHOAAFBE-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000761747864 602357392 /nfs/dbraw/zinc/35/73/92/602357392.db2.gz BDDMHSSUNLYMMK-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM O=C([O-])c1cc(Oc2ccccc2)ccc1NC(=O)[C@@H]1CCSC1 ZINC000833301320 602362633 /nfs/dbraw/zinc/36/26/33/602362633.db2.gz WTXFQVIYANCTHV-GFCCVEGCSA-N -1 0 343.404 3.869 20 0 EHADRM Cc1ccc(Cl)c(NC(=O)NCCc2ccc(C(=O)[O-])cc2)c1 ZINC000323278358 602367775 /nfs/dbraw/zinc/36/77/75/602367775.db2.gz HXTMLPAXVNFCNX-UHFFFAOYSA-N -1 0 332.787 3.711 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1cccs1 ZINC000323167634 602379656 /nfs/dbraw/zinc/37/96/56/602379656.db2.gz VDXDJXDJJVIBCB-UHFFFAOYSA-N -1 0 336.388 3.685 20 0 EHADRM Cc1oc(-c2cccs2)nc1CN1CCC(CN(C)C(=O)[O-])CC1 ZINC000740272056 602384824 /nfs/dbraw/zinc/38/48/24/602384824.db2.gz BFCVGNNGYLKSPC-UHFFFAOYSA-N -1 0 349.456 3.533 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCCCCc2ccccc2)cc1F ZINC000833138374 602386190 /nfs/dbraw/zinc/38/61/90/602386190.db2.gz UEWPPSDCZFWOBW-UHFFFAOYSA-N -1 0 330.359 3.668 20 0 EHADRM CC(C)COc1ccccc1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000826905548 602394127 /nfs/dbraw/zinc/39/41/27/602394127.db2.gz NCNWLALGGDSUHL-UHFFFAOYSA-N -1 0 331.343 3.811 20 0 EHADRM Cc1c(C(=O)N(CC(=O)[O-])C2CCCC2)sc2cccc(F)c12 ZINC000319815686 602398542 /nfs/dbraw/zinc/39/85/42/602398542.db2.gz PTEYEZDVZOMJNN-UHFFFAOYSA-N -1 0 335.400 3.818 20 0 EHADRM O=C([O-])N1CCC[C@@H](c2nc(-c3c(Cl)cccc3Cl)no2)C1 ZINC000738642760 602405464 /nfs/dbraw/zinc/40/54/64/602405464.db2.gz SNVKYQIPMWDIPQ-MRVPVSSYSA-N -1 0 342.182 3.901 20 0 EHADRM O=C([O-])N1CCC(c2nc(-c3c(Cl)cccc3Cl)no2)CC1 ZINC000738642845 602405531 /nfs/dbraw/zinc/40/55/31/602405531.db2.gz SXMQLARRYSBZGL-UHFFFAOYSA-N -1 0 342.182 3.901 20 0 EHADRM Cc1ccc2cc(-c3nc([C@@H](CC(C)C)NC(=O)[O-])no3)[nH]c2c1 ZINC000740152730 602408045 /nfs/dbraw/zinc/40/80/45/602408045.db2.gz GWMHBYMZCXWUFR-CYBMUJFWSA-N -1 0 328.372 3.881 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(-c2cc3ccccc3n2C)n1 ZINC000738818843 602409227 /nfs/dbraw/zinc/40/92/27/602409227.db2.gz ZMJCLEZWEUREKY-GFCCVEGCSA-N -1 0 328.372 3.583 20 0 EHADRM COc1cccc([C@@H]2C[C@@H]2c2nc([C@H](CC(C)C)NC(=O)[O-])no2)c1 ZINC000739950679 602410717 /nfs/dbraw/zinc/41/07/17/602410717.db2.gz PNVURBNUXUTBSH-KKUMJFAQSA-N -1 0 345.399 3.704 20 0 EHADRM O=C([O-])NC1(c2noc(-c3cc4cc(Cl)ccc4[nH]3)n2)CCCC1 ZINC000740547602 602413003 /nfs/dbraw/zinc/41/30/03/602413003.db2.gz HDBIEKJLUCJPIG-UHFFFAOYSA-N -1 0 346.774 3.908 20 0 EHADRM O=C([O-])NC1(c2noc(CCc3cccc(Cl)c3)n2)CCCC1 ZINC000740549830 602413726 /nfs/dbraw/zinc/41/37/26/602413726.db2.gz IGIJYIKAFZBEAL-UHFFFAOYSA-N -1 0 335.791 3.545 20 0 EHADRM O=C([O-])NC1(c2noc(Cc3ccc(Cl)c(Cl)c3)n2)CCC1 ZINC000740548980 602416857 /nfs/dbraw/zinc/41/68/57/602416857.db2.gz LNEJQXPJKSPMCX-UHFFFAOYSA-N -1 0 342.182 3.614 20 0 EHADRM O=C([O-])NC1(c2noc(-c3cnc(-c4ccccc4)s3)n2)CCC1 ZINC000740549417 602416908 /nfs/dbraw/zinc/41/69/08/602416908.db2.gz SKHFZZDTMXRBDZ-UHFFFAOYSA-N -1 0 342.380 3.507 20 0 EHADRM CCOc1ccc(NC(=S)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000739503359 602431400 /nfs/dbraw/zinc/43/14/00/602431400.db2.gz DNMYMNMNKOLXQA-UHFFFAOYSA-N -1 0 331.397 3.984 20 0 EHADRM CCC(CC)(CNC(=O)[O-])NC(=O)c1ccc(Cl)cc1Cl ZINC000739252450 602444091 /nfs/dbraw/zinc/44/40/91/602444091.db2.gz LZMKOIZNNXINOZ-UHFFFAOYSA-N -1 0 333.215 3.550 20 0 EHADRM C[C@H](c1ccccc1)N(C)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739057940 602450634 /nfs/dbraw/zinc/45/06/34/602450634.db2.gz KNRQGEJXAZKPRD-CYBMUJFWSA-N -1 0 327.384 3.679 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)Nc1cc(F)cc(F)c1)c1ccccc1 ZINC000740537828 602456103 /nfs/dbraw/zinc/45/61/03/602456103.db2.gz BIKYRJUQERPGFU-HNNXBMFYSA-N -1 0 334.322 3.692 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)CC[C@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000740114622 602457315 /nfs/dbraw/zinc/45/73/15/602457315.db2.gz SRQTZKGYNRNVNY-QAPCUYQASA-N -1 0 340.423 3.961 20 0 EHADRM CCN(Cc1cccc(NC(=O)[C@@H]2CCc3ccccc32)c1)C(=O)[O-] ZINC000739440559 602458936 /nfs/dbraw/zinc/45/89/36/602458936.db2.gz DAFKOSAFEXVHRO-GOSISDBHSA-N -1 0 338.407 3.855 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)Nc1ccc2ccccc2n1)c1ccccc1 ZINC000740540749 602460357 /nfs/dbraw/zinc/46/03/57/602460357.db2.gz UUXHFUCEDUUJIJ-QGZVFWFLSA-N -1 0 349.390 3.962 20 0 EHADRM COc1ccc(NC(=O)CC[C@H](NC(=O)[O-])c2ccccc2)cc1F ZINC000739922384 602460937 /nfs/dbraw/zinc/46/09/37/602460937.db2.gz XMGKNZKWLKYRAI-HNNXBMFYSA-N -1 0 346.358 3.562 20 0 EHADRM C[C@@H](NC(=O)[O-])C1CCN(C(=O)Nc2cccc(C(F)F)c2)CC1 ZINC000739010434 602469601 /nfs/dbraw/zinc/46/96/01/602469601.db2.gz UHHZWHQXYBUYBP-SNVBAGLBSA-N -1 0 341.358 3.524 20 0 EHADRM O=C([O-])Nc1cc(C(=O)NCCc2ccc(Cl)cc2)ccc1F ZINC000740695317 602481277 /nfs/dbraw/zinc/48/12/77/602481277.db2.gz GLZWQRHIGHGSQF-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM O=C([O-])Nc1cc(C(=O)NCCCSc2ccccc2)ccc1F ZINC000740696261 602481913 /nfs/dbraw/zinc/48/19/13/602481913.db2.gz PXRZSYQWKZCIHZ-UHFFFAOYSA-N -1 0 348.399 3.828 20 0 EHADRM CN(C(=O)c1ccc(F)c(NC(=O)[O-])c1)c1nc2ccccc2s1 ZINC000739593564 602482378 /nfs/dbraw/zinc/48/23/78/602482378.db2.gz QJGLYTGNPDZZNO-UHFFFAOYSA-N -1 0 345.355 3.802 20 0 EHADRM CN(C)c1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000737375971 602488385 /nfs/dbraw/zinc/48/83/85/602488385.db2.gz AJVXWMRNODIOLC-DLBZAZTESA-N -1 0 339.395 3.585 20 0 EHADRM C[C@H](NC(=O)CC[C@@H](NC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000738962407 602488403 /nfs/dbraw/zinc/48/84/03/602488403.db2.gz WFQUZVWSWKMREH-WMLDXEAASA-N -1 0 326.396 3.653 20 0 EHADRM O=C([O-])Nc1cc(C(=O)NCC2(c3ccccc3)CCC2)ccc1F ZINC000740696928 602495850 /nfs/dbraw/zinc/49/58/50/602495850.db2.gz VZCHNEZCSWMRDK-UHFFFAOYSA-N -1 0 342.370 3.767 20 0 EHADRM CC(C)(C)[C@@H]1CCCN1C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000738676812 602499175 /nfs/dbraw/zinc/49/91/75/602499175.db2.gz TWCFBLJSZFJXLI-CVEARBPZSA-N -1 0 332.444 3.813 20 0 EHADRM Cc1cc(OCC(=O)Nc2ccc(NC(=O)[O-])cc2)ccc1Cl ZINC000740089372 602499269 /nfs/dbraw/zinc/49/92/69/602499269.db2.gz RVFGLCAINPSREV-UHFFFAOYSA-N -1 0 334.759 3.756 20 0 EHADRM Cc1cccc(CSCC(=O)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000740167486 602500151 /nfs/dbraw/zinc/50/01/51/602500151.db2.gz YEYIKRIZHGTQHX-UHFFFAOYSA-N -1 0 330.409 3.957 20 0 EHADRM CCC[C@H](NC(=O)[O-])C(=O)Nc1ccc(Nc2nc(C)cs2)cc1 ZINC000739320131 602500222 /nfs/dbraw/zinc/50/02/22/602500222.db2.gz CTWRDCWRHVWYAC-ZDUSSCGKSA-N -1 0 348.428 3.570 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)CSCc2ccc(F)cc2)cc1 ZINC000740710056 602500369 /nfs/dbraw/zinc/50/03/69/602500369.db2.gz XEZHJQUAJBFBMP-UHFFFAOYSA-N -1 0 334.372 3.788 20 0 EHADRM Cc1cc(C)cc(OCCC(=O)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000740066899 602501986 /nfs/dbraw/zinc/50/19/86/602501986.db2.gz FBZIADAEHGJHQT-UHFFFAOYSA-N -1 0 328.368 3.801 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)COc2ccc(F)c(Cl)c2)cc1 ZINC000740709650 602502323 /nfs/dbraw/zinc/50/23/23/602502323.db2.gz PQNRAMGFTDHKEQ-UHFFFAOYSA-N -1 0 338.722 3.587 20 0 EHADRM CC(C)CCO[C@H](C)C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000738822614 602508942 /nfs/dbraw/zinc/50/89/42/602508942.db2.gz PLIMTSAFASQUTQ-CYBMUJFWSA-N -1 0 334.416 3.507 20 0 EHADRM CC(C)c1nc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])cs1 ZINC000738879964 602509993 /nfs/dbraw/zinc/50/99/93/602509993.db2.gz PXIHIXVUHCSBAZ-UHFFFAOYSA-N -1 0 345.424 3.949 20 0 EHADRM CN(C)c1ccc([C@H]2C[C@H]2C(=O)Nc2ccccc2NC(=O)[O-])cc1 ZINC000739616428 602512508 /nfs/dbraw/zinc/51/25/08/602512508.db2.gz CCSDCTLNGXFHTA-HUUCEWRRSA-N -1 0 339.395 3.585 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000738944078 602513992 /nfs/dbraw/zinc/51/39/92/602513992.db2.gz BCXPQSZALDWRJV-CYBMUJFWSA-N -1 0 344.436 3.821 20 0 EHADRM CN(C[C@H]1CCN(Cc2csc(C3CCCCC3)n2)C1)C(=O)[O-] ZINC000739665876 602529206 /nfs/dbraw/zinc/52/92/06/602529206.db2.gz NIYOAHZMOBZYGK-CYBMUJFWSA-N -1 0 337.489 3.623 20 0 EHADRM COc1cc(NC(=O)N[C@@H](C)c2ccccc2)ccc1NC(=O)[O-] ZINC000739870558 602559981 /nfs/dbraw/zinc/55/99/81/602559981.db2.gz MVSIDYLJCWXECV-NSHDSACASA-N -1 0 329.356 3.668 20 0 EHADRM CC[C@@](C)(NC(=O)c1ccc(CNC(=O)[O-])cc1)c1ccccc1 ZINC000739219416 602568410 /nfs/dbraw/zinc/56/84/10/602568410.db2.gz QADONTPCZFAFMO-LJQANCHMSA-N -1 0 326.396 3.509 20 0 EHADRM CN(C(=O)[O-])[C@H]1CCCN(C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000739582311 602580104 /nfs/dbraw/zinc/58/01/04/602580104.db2.gz DMNUEODLDRQDHV-JTQLQIEISA-N -1 0 346.214 3.600 20 0 EHADRM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000739583237 602580239 /nfs/dbraw/zinc/58/02/39/602580239.db2.gz LCWUIXRLAURJPM-SECBINFHSA-N -1 0 346.214 3.600 20 0 EHADRM CC(C)CCc1ccccc1NC(=O)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738819788 602593444 /nfs/dbraw/zinc/59/34/44/602593444.db2.gz BOGMDDNCOORUNG-HNNXBMFYSA-N -1 0 347.459 3.739 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccc(NC(=O)[O-])cc2C(F)(F)F)C1 ZINC000739114758 602597212 /nfs/dbraw/zinc/59/72/12/602597212.db2.gz YFNLXNVDRFGTPF-QMMMGPOBSA-N -1 0 331.294 3.669 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC000738665445 602599341 /nfs/dbraw/zinc/59/93/41/602599341.db2.gz MRYVLNKLDPZGAU-CYBMUJFWSA-N -1 0 343.358 3.937 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N[C@@H]2CCc3cc(F)ccc32)cc1 ZINC000740710626 602600422 /nfs/dbraw/zinc/60/04/22/602600422.db2.gz VWRFCQWDJNKODP-OAHLLOKOSA-N -1 0 329.331 3.725 20 0 EHADRM COc1ccccc1[C@@H](C)NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739960300 602601648 /nfs/dbraw/zinc/60/16/48/602601648.db2.gz PCRKBXAQQCDESF-LLVKDONJSA-N -1 0 329.356 3.668 20 0 EHADRM C[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739205802 602602107 /nfs/dbraw/zinc/60/21/07/602602107.db2.gz HEAVHFOPYLXHMX-JTQLQIEISA-N -1 0 331.397 3.989 20 0 EHADRM CC(C)Oc1ccccc1CNC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738869465 602604037 /nfs/dbraw/zinc/60/40/37/602604037.db2.gz ZZFUGQMPSUICRK-UHFFFAOYSA-N -1 0 343.383 3.885 20 0 EHADRM C[C@H](CNC(=O)[O-])N(C)C(=O)Nc1ccc(SC(C)(C)C)cc1 ZINC000738932248 602604366 /nfs/dbraw/zinc/60/43/66/602604366.db2.gz JUGUQGSJCGIIFD-LLVKDONJSA-N -1 0 339.461 3.697 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)NCc3ccsc3)ccc21 ZINC000740452001 602607538 /nfs/dbraw/zinc/60/75/38/602607538.db2.gz RFWFQFUVZFWHLB-UHFFFAOYSA-N -1 0 331.397 3.500 20 0 EHADRM CCC(CC)[C@@H](NC(=O)N(C)[C@@H](C)CNC(=O)[O-])c1cccs1 ZINC000739253665 602620567 /nfs/dbraw/zinc/62/05/67/602620567.db2.gz SIFKDFBQAIQDAM-SMDDNHRTSA-N -1 0 341.477 3.523 20 0 EHADRM CC(C)N(CC(F)(F)F)C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000738836251 602642423 /nfs/dbraw/zinc/64/24/23/602642423.db2.gz FXGYUYBTEXHZIJ-CYBMUJFWSA-N -1 0 346.349 3.575 20 0 EHADRM O=C([O-])NCc1ccc2c(c1)CCCN2C(=O)c1cc2ccccc2[nH]1 ZINC000740676550 602647416 /nfs/dbraw/zinc/64/74/16/602647416.db2.gz TZIBLNYYQFXVQC-UHFFFAOYSA-N -1 0 349.390 3.529 20 0 EHADRM Cc1cc(F)cc2c1N(C(=O)c1cccc(NC(=O)[O-])c1)CCC2 ZINC000738397817 602685063 /nfs/dbraw/zinc/68/50/63/602685063.db2.gz ZQLOAKGKCCPNDN-UHFFFAOYSA-N -1 0 328.343 3.817 20 0 EHADRM Cc1ccc2nc(NC(=O)[C@H](NC(=O)[O-])c3ccccc3)sc2c1 ZINC000740157019 602692649 /nfs/dbraw/zinc/69/26/49/602692649.db2.gz LIBXMOFIUAYRDN-CQSZACIVSA-N -1 0 341.392 3.552 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(NC(=O)[O-])cc1)C(=O)c1ccccc1 ZINC000736549481 602712234 /nfs/dbraw/zinc/71/22/34/602712234.db2.gz WAZBJFFRBIKFKY-GFCCVEGCSA-N -1 0 326.352 3.624 20 0 EHADRM Cc1ccccc1[C@H](CC(C)C)NC(=O)N1CCC(NC(=O)[O-])CC1 ZINC000740186164 602727517 /nfs/dbraw/zinc/72/75/17/602727517.db2.gz YIEXIEULDZSWRO-KRWDZBQOSA-N -1 0 347.459 3.524 20 0 EHADRM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2ccccc2NC(=O)[O-])c1 ZINC000739947897 602733322 /nfs/dbraw/zinc/73/33/22/602733322.db2.gz FATMWQRMMVLTJP-KGLIPLIRSA-N -1 0 326.352 3.527 20 0 EHADRM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739103413 602750699 /nfs/dbraw/zinc/75/06/99/602750699.db2.gz ZZXZJTOWECJEDV-GUYCJALGSA-N -1 0 346.427 3.651 20 0 EHADRM CC(C)[C@@H](NC(=O)C1CCN(C(=O)[O-])CC1)c1ccccc1Cl ZINC000737613685 602759232 /nfs/dbraw/zinc/75/92/32/602759232.db2.gz ZEKBSXGUAJUTSQ-OAHLLOKOSA-N -1 0 338.835 3.543 20 0 EHADRM CC(C)(C(=O)Nc1cc(NC(=O)[O-])ccc1F)c1ccccc1F ZINC000738662961 602784213 /nfs/dbraw/zinc/78/42/13/602784213.db2.gz XNLQKMXYEHTYHF-UHFFFAOYSA-N -1 0 334.322 3.971 20 0 EHADRM COc1cc(NC(=O)[C@@H](C)Cc2ccccc2F)ccc1NC(=O)[O-] ZINC000739868367 602792206 /nfs/dbraw/zinc/79/22/06/602792206.db2.gz SBODBSXBYIZLEV-NSHDSACASA-N -1 0 346.358 3.742 20 0 EHADRM CCN(Cc1ccccc1NC(=O)[C@H](C)c1ccsc1)C(=O)[O-] ZINC000739443422 602792353 /nfs/dbraw/zinc/79/23/53/602792353.db2.gz JMXJKPATYSQQKK-GFCCVEGCSA-N -1 0 332.425 3.990 20 0 EHADRM Cc1ccc(-c2nc(CN3CC[C@@H](NC(=O)[O-])[C@H](C)C3)cs2)cc1 ZINC000740092299 602795894 /nfs/dbraw/zinc/79/58/94/602795894.db2.gz ASCDLTABRJDIOP-CZUORRHYSA-N -1 0 345.468 3.597 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)CCC(C)(C)NC(=O)[O-])cc1C ZINC000740117041 602797384 /nfs/dbraw/zinc/79/73/84/602797384.db2.gz FNZNFOOKFVVCHF-INIZCTEOSA-N -1 0 332.444 3.793 20 0 EHADRM CC(C)C(=O)Nc1cccc(OC(=O)c2ccc(NC(=O)[O-])cc2)c1 ZINC000736348233 602798124 /nfs/dbraw/zinc/79/81/24/602798124.db2.gz UKPDXEZPUWXACV-UHFFFAOYSA-N -1 0 342.351 3.590 20 0 EHADRM CC(C)(CCC(=O)Nc1ccccc1CC(F)(F)F)NC(=O)[O-] ZINC000738744842 602810692 /nfs/dbraw/zinc/81/06/92/602810692.db2.gz SGLDAZNZFNMCTR-UHFFFAOYSA-N -1 0 332.322 3.556 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)CCC(C)(C)NC(=O)[O-])C1 ZINC000740182386 602810920 /nfs/dbraw/zinc/81/09/20/602810920.db2.gz VFYGTMGJVAYALR-HUUCEWRRSA-N -1 0 332.444 3.526 20 0 EHADRM Cc1ccc(C[C@H](C)N(C)C(=O)Cc2ccc(NC(=O)[O-])cc2)cc1 ZINC000740121601 602816216 /nfs/dbraw/zinc/81/62/16/602816216.db2.gz GYIQNTHELPYENT-HNNXBMFYSA-N -1 0 340.423 3.717 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N(C)CC(C)(C)C ZINC000829167414 602819250 /nfs/dbraw/zinc/81/92/50/602819250.db2.gz KPXCKXVWZMNJSI-UHFFFAOYSA-N -1 0 328.796 3.557 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)N2CC[C@@H](CN(C)C(=O)[O-])C2)cc1 ZINC000738879485 602833218 /nfs/dbraw/zinc/83/32/18/602833218.db2.gz VSKNPERBLMONGE-HOTGVXAUSA-N -1 0 346.471 3.762 20 0 EHADRM CCO[C@H](C)c1ncc(C(=O)Nc2ccccc2NC(=O)[O-])s1 ZINC000827361793 602834892 /nfs/dbraw/zinc/83/48/92/602834892.db2.gz KUFGFZSCGJVXEC-SECBINFHSA-N -1 0 335.385 3.583 20 0 EHADRM CCSc1ccc([C@@H](C)NC(=O)c2ccc(CNC(=O)[O-])o2)cc1 ZINC000827509029 602851457 /nfs/dbraw/zinc/85/14/57/602851457.db2.gz VPKQXZVCIAKZCO-LLVKDONJSA-N -1 0 348.424 3.650 20 0 EHADRM Cc1ccc([C@H](C)C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])o1 ZINC000830252002 602859822 /nfs/dbraw/zinc/85/98/22/602859822.db2.gz UYBBXHIXVWWJJX-LBPRGKRZSA-N -1 0 328.368 3.761 20 0 EHADRM CC(C)(CCC(=O)OCc1csc(C2CCCC2)n1)NC(=O)[O-] ZINC000738746429 602894125 /nfs/dbraw/zinc/89/41/25/602894125.db2.gz SQFJMYWVAWCKTO-UHFFFAOYSA-N -1 0 340.445 3.670 20 0 EHADRM C[C@H](CC(=O)N(Cc1ccccc1F)c1ccc(F)cc1)NC(=O)[O-] ZINC000824565502 602903836 /nfs/dbraw/zinc/90/38/36/602903836.db2.gz OAHYAHJRINUPPD-GFCCVEGCSA-N -1 0 348.349 3.544 20 0 EHADRM CC(C)(CCC(=O)O[C@@H](c1ccccc1)c1cccnc1)NC(=O)[O-] ZINC000738744202 602927464 /nfs/dbraw/zinc/92/74/64/602927464.db2.gz GLZDZEWYFLUESL-KRWDZBQOSA-N -1 0 342.395 3.541 20 0 EHADRM CC(C)(CC(=O)Nc1ccccc1Oc1ccccc1)NC(=O)[O-] ZINC000738738857 602932685 /nfs/dbraw/zinc/93/26/85/602932685.db2.gz OEXOBJIMLQXMSR-UHFFFAOYSA-N -1 0 328.368 3.854 20 0 EHADRM CCc1cccc(NC(=O)Nc2ccc(OC)c(NC(=O)[O-])c2)c1 ZINC000739546563 602942958 /nfs/dbraw/zinc/94/29/58/602942958.db2.gz AOUTXDPQQITXIP-UHFFFAOYSA-N -1 0 329.356 3.992 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)OC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000740185039 602949064 /nfs/dbraw/zinc/94/90/64/602949064.db2.gz RRDPUIPGHTUDDI-LSVZVQIISA-N -1 0 331.412 3.705 20 0 EHADRM Cc1ccccc1[C@@H](C)Cc1nc(C2(NC(=O)[O-])CCCC2)no1 ZINC000740186007 602950203 /nfs/dbraw/zinc/95/02/03/602950203.db2.gz XJIYAMCRLZALGI-ZDUSSCGKSA-N -1 0 329.400 3.761 20 0 EHADRM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)CC(C)(C)NC(=O)[O-] ZINC000739055937 602951329 /nfs/dbraw/zinc/95/13/29/602951329.db2.gz YLTVDUKKXVOROK-SECBINFHSA-N -1 0 347.242 3.949 20 0 EHADRM C[C@H](CC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1)NC(=O)[O-] ZINC000824583942 602957641 /nfs/dbraw/zinc/95/76/41/602957641.db2.gz WKJMBNDLJHTNCO-DOMZBBRYSA-N -1 0 338.835 3.830 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000738668175 602961485 /nfs/dbraw/zinc/96/14/85/602961485.db2.gz XAYKMVJXYXUIHG-QWHCGFSZSA-N -1 0 333.290 3.764 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](c2ccccn2)C(C)C)cc1NC(=O)[O-] ZINC000830204242 602968008 /nfs/dbraw/zinc/96/80/08/602968008.db2.gz FABHMOTXAKQIPM-MRXNPFEDSA-N -1 0 327.384 3.607 20 0 EHADRM CC(C)[C@@H]1CCCCN1C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000738802947 602979859 /nfs/dbraw/zinc/97/98/59/602979859.db2.gz ZLTZEZKQLPHKQU-SJORKVTESA-N -1 0 332.444 3.813 20 0 EHADRM O=C([O-])NCCCCCCC(=O)Nc1nc2ccsc2s1 ZINC000740648517 603018238 /nfs/dbraw/zinc/01/82/38/603018238.db2.gz QRQDDAKFXJGBGA-UHFFFAOYSA-N -1 0 327.431 3.514 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)Nc1cccc(NC2CCCC2)c1 ZINC000739241721 603028051 /nfs/dbraw/zinc/02/80/51/603028051.db2.gz VZESMRFAKSEJDS-WBMJQRKESA-N -1 0 333.432 3.662 20 0 EHADRM C[C@H](c1ccncc1)N(C)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739061240 603032586 /nfs/dbraw/zinc/03/25/86/603032586.db2.gz RXQVXXQVHPKYBV-SNVBAGLBSA-N -1 0 332.335 3.536 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000740707653 603038690 /nfs/dbraw/zinc/03/86/90/603038690.db2.gz RZLVLWJLOPKWGX-GXTWGEPZSA-N -1 0 329.331 3.593 20 0 EHADRM COc1ccc([C@H](C)C(=O)Oc2ccc(N(C)C(=O)[O-])cc2)cc1 ZINC000829294248 603041482 /nfs/dbraw/zinc/04/14/82/603041482.db2.gz QCWOAZATDIGLPF-LBPRGKRZSA-N -1 0 329.352 3.519 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)c2csc(C(C)(C)C)n2)cc1 ZINC000827921677 603043626 /nfs/dbraw/zinc/04/36/26/603043626.db2.gz PCFZKPXQLZKDHO-UHFFFAOYSA-N -1 0 334.397 3.774 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)/C=C\c2ccc3ccccc3n2)cc1 ZINC000827909391 603046136 /nfs/dbraw/zinc/04/61/36/603046136.db2.gz YWHLBARIJFQFMP-JYRVWZFOSA-N -1 0 348.358 3.968 20 0 EHADRM C[C@@H](Oc1ccccc1Cl)C(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000825616392 603050880 /nfs/dbraw/zinc/05/08/80/603050880.db2.gz CLFBVWRCCLFDND-LLVKDONJSA-N -1 0 349.770 3.827 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)[C@@H]2SCCc3ccccc32)cc1 ZINC000827907736 603054168 /nfs/dbraw/zinc/05/41/68/603054168.db2.gz BSKXELULMSIYIY-MRXNPFEDSA-N -1 0 343.404 3.737 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)NCc2ccccc2OC2CCC2)c1 ZINC000740031657 603056110 /nfs/dbraw/zinc/05/61/10/603056110.db2.gz SKWOLIQBEGAMKE-UHFFFAOYSA-N -1 0 340.379 3.638 20 0 EHADRM CC[C@@H](CC(=O)NC1CCC(NC(=O)[O-])CC1)c1ccc(C)cc1 ZINC000739250355 603075180 /nfs/dbraw/zinc/07/51/80/603075180.db2.gz SFFPVOZIXFLZBU-OOHWJJMZSA-N -1 0 332.444 3.574 20 0 EHADRM CC(C)n1cc2cc(NC(=O)c3cccc(NC(=O)[O-])c3)ccc2n1 ZINC000736532219 603087525 /nfs/dbraw/zinc/08/75/25/603087525.db2.gz CLDGILYRVPEJKX-UHFFFAOYSA-N -1 0 338.367 3.959 20 0 EHADRM Cc1ccc(NC(=O)CNc2ccc([C@H](C)NC(=O)[O-])cc2)c(C)c1 ZINC000740137082 603104431 /nfs/dbraw/zinc/10/44/31/603104431.db2.gz WDFKQTIKRUJQCN-AWEZNQCLSA-N -1 0 341.411 3.683 20 0 EHADRM Cc1cccc2c1CCCN2C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000740179153 603104777 /nfs/dbraw/zinc/10/47/77/603104777.db2.gz JHAFAKSNLMLEHG-UHFFFAOYSA-N -1 0 328.343 3.817 20 0 EHADRM CCN(Cc1cccc(NC(=O)NCc2ccccc2)c1)C(=O)[O-] ZINC000739444716 603142982 /nfs/dbraw/zinc/14/29/82/603142982.db2.gz ALXSCBJFEIJVRT-UHFFFAOYSA-N -1 0 327.384 3.508 20 0 EHADRM CCN(Cc1cccc(NC(=O)N[C@@H](C)Cc2ccco2)c1)C(=O)[O-] ZINC000739443183 603143043 /nfs/dbraw/zinc/14/30/43/603143043.db2.gz PVGXOKCNUOSXMN-ZDUSSCGKSA-N -1 0 345.399 3.532 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739883660 603151768 /nfs/dbraw/zinc/15/17/68/603151768.db2.gz CSYODFYHXWABDH-GXTWGEPZSA-N -1 0 348.443 3.758 20 0 EHADRM Cc1ccc(NC(=O)COc2ccc(NC(=O)[O-])cc2)cc1Cl ZINC000738280363 603156635 /nfs/dbraw/zinc/15/66/35/603156635.db2.gz LJIBBOPFKGNFIZ-UHFFFAOYSA-N -1 0 334.759 3.756 20 0 EHADRM CN(C(=O)[O-])c1ccc(OCc2ccn(-c3ccc(F)cc3)n2)cc1 ZINC000827921476 603159767 /nfs/dbraw/zinc/15/97/67/603159767.db2.gz LNVMJPKMOWSXKZ-UHFFFAOYSA-N -1 0 341.342 3.705 20 0 EHADRM CCN(Cc1ccccc1Cl)C(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739443292 603165958 /nfs/dbraw/zinc/16/59/58/603165958.db2.gz JBFLLQHHLXOZEV-JSGCOSHPSA-N -1 0 338.835 3.515 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)c1cnc(-c2ccncc2)s1 ZINC000740715799 603172547 /nfs/dbraw/zinc/17/25/47/603172547.db2.gz PEEQUOZVAXMXQB-UHFFFAOYSA-N -1 0 340.364 3.547 20 0 EHADRM CC(C)C[C@@](C)(CNC(=O)[O-])NC(=S)Nc1ccccc1Cl ZINC000738808283 603173451 /nfs/dbraw/zinc/17/34/51/603173451.db2.gz SKKUMMUNHSQVAW-HNNXBMFYSA-N -1 0 343.880 3.699 20 0 EHADRM Cc1ccc(O[C@H](C)C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)cc1 ZINC000830401538 603175854 /nfs/dbraw/zinc/17/58/54/603175854.db2.gz YJJLGKWCUYYHEK-UONOGXRCSA-N -1 0 342.395 3.730 20 0 EHADRM Cc1cc(OC(C)C)ccc1NC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000740088213 603176181 /nfs/dbraw/zinc/17/61/81/603176181.db2.gz FQAJWVSGKCBCPB-ZIAGYGMSSA-N -1 0 334.416 3.547 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)[C@@H](C)c2cccc(F)c2)cc1 ZINC000825415601 603176703 /nfs/dbraw/zinc/17/67/03/603176703.db2.gz HAAHYHDNLPEUEI-RYUDHWBXSA-N -1 0 330.359 3.897 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000740015546 603183055 /nfs/dbraw/zinc/18/30/55/603183055.db2.gz DFJLLQYTYGQDSA-KOLCDFICSA-N -1 0 342.848 3.827 20 0 EHADRM Cc1ccc(C)c(OCC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)c1 ZINC000830274837 603193777 /nfs/dbraw/zinc/19/37/77/603193777.db2.gz NAGDSFCPAYPBBH-AWEZNQCLSA-N -1 0 342.395 3.650 20 0 EHADRM CCCc1nc(C)c(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)s1 ZINC000826953735 603195725 /nfs/dbraw/zinc/19/57/25/603195725.db2.gz KYRQBQBIYILXMX-JTQLQIEISA-N -1 0 347.440 3.985 20 0 EHADRM CCOc1c(F)cccc1C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000827407837 603196800 /nfs/dbraw/zinc/19/68/00/603196800.db2.gz AIFHPXLZXQJJHE-NSHDSACASA-N -1 0 346.358 3.805 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NCCc2ccc(F)cc2)c(Cl)c1 ZINC000740699446 603202275 /nfs/dbraw/zinc/20/22/75/603202275.db2.gz SFUOFGKUKCKSHP-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NCCc2ccccc2F)c(Cl)c1 ZINC000740698548 603206038 /nfs/dbraw/zinc/20/60/38/603206038.db2.gz NAVHTIOGAZJRRR-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2cccc(NC(=O)[O-])c2)s1 ZINC000737282073 603213524 /nfs/dbraw/zinc/21/35/24/603213524.db2.gz QXHUPMKAHIQEMK-LLVKDONJSA-N -1 0 347.440 3.937 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2ccc(Cl)nc2)c(Cl)c1 ZINC000740700369 603214173 /nfs/dbraw/zinc/21/41/73/603214173.db2.gz JKFWUBPDFLTINH-UHFFFAOYSA-N -1 0 326.139 3.731 20 0 EHADRM C[C@H](C(=O)NCc1ccccc1Cl)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823703506 603216226 /nfs/dbraw/zinc/21/62/26/603216226.db2.gz OUYBJJXMRYJSRE-LRDDRELGSA-N -1 0 346.814 3.601 20 0 EHADRM CC[C@@H]1CN(C(=O)c2cc3ccccc3cc2NC(=O)[O-])CCS1 ZINC000826680645 603216395 /nfs/dbraw/zinc/21/63/95/603216395.db2.gz BWWCWDZOTNHHNT-CQSZACIVSA-N -1 0 344.436 3.897 20 0 EHADRM O=C([O-])N1CC[C@@H](C(=O)Nc2ccccc2SC2CCCC2)C1 ZINC000740475534 603218138 /nfs/dbraw/zinc/21/81/38/603218138.db2.gz DPNZTTUVLYQUSP-GFCCVEGCSA-N -1 0 334.441 3.660 20 0 EHADRM CCCCn1nccc1NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739348831 603219891 /nfs/dbraw/zinc/21/98/91/603219891.db2.gz GFKOXCNBHWXKFN-UHFFFAOYSA-N -1 0 336.779 3.679 20 0 EHADRM Cc1cc(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)nc(C(C)C)n1 ZINC000740091506 603233090 /nfs/dbraw/zinc/23/30/90/603233090.db2.gz PKZWIXYJMWNUAR-UHFFFAOYSA-N -1 0 348.790 3.904 20 0 EHADRM CN(C)c1ccc(N(C)C(=O)c2ccc(NC(=O)[O-])cc2Cl)cc1 ZINC000739619485 603242358 /nfs/dbraw/zinc/24/23/58/603242358.db2.gz WSJFEVWVNAUHGW-UHFFFAOYSA-N -1 0 347.802 3.773 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)Nc2ccc(N(C)C)cc2)cc1 ZINC000825443126 603244445 /nfs/dbraw/zinc/24/44/45/603244445.db2.gz YIZCWQAVNSZHKK-GFCCVEGCSA-N -1 0 342.399 3.725 20 0 EHADRM CCc1cccc(C)c1NC(=O)NC[C@H](NC(=O)[O-])c1ccccc1 ZINC000827596561 603245075 /nfs/dbraw/zinc/24/50/75/603245075.db2.gz VQHUETTUTXJLBI-INIZCTEOSA-N -1 0 341.411 3.688 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000830471427 603252856 /nfs/dbraw/zinc/25/28/56/603252856.db2.gz HXTLPMNKIAVCHO-GOOCMWNKSA-N -1 0 345.443 3.913 20 0 EHADRM CC[C@H](NC(=O)c1ccc(CNC(=O)[O-])cc1)c1cc(F)ccc1F ZINC000739271417 603258789 /nfs/dbraw/zinc/25/87/89/603258789.db2.gz NWDCNOKUWJEMAW-INIZCTEOSA-N -1 0 348.349 3.614 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)Nc2nc(C3CC3)cs2)cc1 ZINC000825442478 603261664 /nfs/dbraw/zinc/26/16/64/603261664.db2.gz IGEGRJQIOOWLOU-VIFPVBQESA-N -1 0 346.412 3.993 20 0 EHADRM Cc1ccc(NC(=O)[C@H](NC(=O)[O-])c2cccc(Cl)c2)c(C)c1 ZINC000740137509 603262879 /nfs/dbraw/zinc/26/28/79/603262879.db2.gz ZWDQHBYSIAWHSC-OAHLLOKOSA-N -1 0 332.787 3.904 20 0 EHADRM COc1ccc(NC(=O)N2C[C@@H](C)CCC[C@H]2C)cc1NC(=O)[O-] ZINC000829461117 603270945 /nfs/dbraw/zinc/27/09/45/603270945.db2.gz UEXXKEGNHFHSKJ-NWDGAFQWSA-N -1 0 335.404 3.828 20 0 EHADRM CC[C@@H](NC(=O)C1CCC(NC(=O)[O-])CC1)C(C)(C)c1ccccc1 ZINC000739259738 603274456 /nfs/dbraw/zinc/27/44/56/603274456.db2.gz NADGGNYBBUSXDO-BDVYOWHSSA-N -1 0 346.471 3.685 20 0 EHADRM Cc1cc(CNC(=O)[O-])ccc1N(C(=O)/C=C/c1ccco1)C1CC1 ZINC000740077397 603297132 /nfs/dbraw/zinc/29/71/32/603297132.db2.gz TXEIWFDYTIRVDE-VQHVLOKHSA-N -1 0 340.379 3.564 20 0 EHADRM CCCCCC(=O)N(c1ccccc1F)C1CCN(C(=O)[O-])CC1 ZINC000739328820 603299444 /nfs/dbraw/zinc/29/94/44/603299444.db2.gz GQOOHVWTRYQIRJ-UHFFFAOYSA-N -1 0 336.407 3.881 20 0 EHADRM Cc1ccc(CCC(=O)N2CCCN(C(=O)[O-])c3ccccc32)cc1 ZINC000740119714 603300405 /nfs/dbraw/zinc/30/04/05/603300405.db2.gz BSXCLELRSLAUPE-UHFFFAOYSA-N -1 0 338.407 3.849 20 0 EHADRM Cc1ccc(C(=O)N[C@H](C)c2cc(F)ccc2F)cc1NC(=O)[O-] ZINC000830204248 603301470 /nfs/dbraw/zinc/30/14/70/603301470.db2.gz FBJUITBYRCQCKP-SNVBAGLBSA-N -1 0 334.322 3.854 20 0 EHADRM CCOc1ccccc1[C@@H](C)NC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000827452683 603301727 /nfs/dbraw/zinc/30/17/27/603301727.db2.gz DPCQQXAMFVIESP-CYBMUJFWSA-N -1 0 342.395 3.975 20 0 EHADRM O=C([O-])NC1CCC(C(=O)N2CCCCC[C@@H]2c2ccco2)CC1 ZINC000740550938 603301756 /nfs/dbraw/zinc/30/17/56/603301756.db2.gz CRJDWYJREUQQRI-YMAMQOFZSA-N -1 0 334.416 3.550 20 0 EHADRM Cc1ccc(C(=O)NCC(C)(C)c2ccccc2)cc1NC(=O)[O-] ZINC000830211453 603312431 /nfs/dbraw/zinc/31/24/31/603312431.db2.gz QXIPITZBBMRXTM-UHFFFAOYSA-N -1 0 326.396 3.793 20 0 EHADRM CN(CCCNC(=O)[O-])C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000739677041 603316191 /nfs/dbraw/zinc/31/61/91/603316191.db2.gz HPCTTYOSDSXHDI-UHFFFAOYSA-N -1 0 341.367 3.707 20 0 EHADRM C[C@@H](CNC(=O)Nc1cccc(CNC(=O)[O-])c1)Cc1cccs1 ZINC000824946774 603318095 /nfs/dbraw/zinc/31/80/95/603318095.db2.gz TXOMIBBBCMBZSQ-GFCCVEGCSA-N -1 0 347.440 3.516 20 0 EHADRM CCC[C@H]1[C@@H](C)CCCN1C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000826767977 603320011 /nfs/dbraw/zinc/32/00/11/603320011.db2.gz ATKJYGQGHBGMDB-BBRMVZONSA-N -1 0 333.432 3.887 20 0 EHADRM CCN(C(=O)Nc1ccccc1CN(C)C(=O)[O-])C1CCCCC1 ZINC000739382473 603333372 /nfs/dbraw/zinc/33/33/72/603333372.db2.gz PZRGYHPMDUDDEI-UHFFFAOYSA-N -1 0 333.432 3.983 20 0 EHADRM CC(C)CCN(C(=O)Nc1ccccc1CN(C)C(=O)[O-])C1CC1 ZINC000738818169 603333473 /nfs/dbraw/zinc/33/34/73/603333473.db2.gz LXHQPTPSNCISQX-UHFFFAOYSA-N -1 0 333.432 3.839 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)cc1NC(=O)[O-] ZINC000830230965 603335990 /nfs/dbraw/zinc/33/59/90/603335990.db2.gz UJYKWNPVIDROFM-UHFFFAOYSA-N -1 0 342.351 3.845 20 0 EHADRM CC[C@@]1(C)CCCN(C(=O)Nc2cccc(CN(C)C(=O)[O-])c2)C1 ZINC000826645962 603336384 /nfs/dbraw/zinc/33/63/84/603336384.db2.gz XKTJTWSOGKMGKH-SFHVURJKSA-N -1 0 333.432 3.840 20 0 EHADRM C[C@H](NC(=O)Nc1ccccc1CN(C)C(=O)[O-])c1ccccc1 ZINC000738978620 603340898 /nfs/dbraw/zinc/34/08/98/603340898.db2.gz KEAQJYOYBPLWIR-ZDUSSCGKSA-N -1 0 327.384 3.679 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N(C)C1CCCCC1)C(=O)[O-] ZINC000739441709 603351314 /nfs/dbraw/zinc/35/13/14/603351314.db2.gz AJZMBRAWVCHKHM-UHFFFAOYSA-N -1 0 333.432 3.983 20 0 EHADRM C[C@H](C(=O)N(C)[C@@H](C)c1cccs1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823654560 603351919 /nfs/dbraw/zinc/35/19/19/603351919.db2.gz KQEHHGHLXUQEAC-HEHGZKQESA-N -1 0 346.452 3.913 20 0 EHADRM C[C@@H](c1ccco1)N(C)C(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000739061499 603362861 /nfs/dbraw/zinc/36/28/61/603362861.db2.gz VNALZZHUWMOTJC-LBPRGKRZSA-N -1 0 331.372 3.614 20 0 EHADRM CC[C@@H]1CCCN(C(=O)Nc2cccc(CN(C)C(=O)[O-])c2)CC1 ZINC000739266829 603362951 /nfs/dbraw/zinc/36/29/51/603362951.db2.gz IIZHRQOLXNMXOP-CQSZACIVSA-N -1 0 333.432 3.840 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)NCc2cccc(Cl)c2)cc1 ZINC000825433289 603363734 /nfs/dbraw/zinc/36/37/34/603363734.db2.gz AHCIZTRRZDFOIR-NSHDSACASA-N -1 0 347.802 3.990 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)N[C@H](c2ccccc2)C2CCCC2)o1 ZINC000832683960 603370646 /nfs/dbraw/zinc/37/06/46/603370646.db2.gz LBKJVVMVNUZRIW-QGZVFWFLSA-N -1 0 342.395 3.709 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1)c1nccs1 ZINC000826613482 603371086 /nfs/dbraw/zinc/37/10/86/603371086.db2.gz KCFGMYSQUDTBHA-ZWNOBZJWSA-N -1 0 348.428 3.745 20 0 EHADRM COc1cc(C)ccc1NC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000829100959 603373071 /nfs/dbraw/zinc/37/30/71/603373071.db2.gz BTLHRNBEHRHGPR-SUMWQHHRSA-N -1 0 342.395 3.587 20 0 EHADRM O=C([O-])N1CC[C@H](CSc2nnc(-c3ccc(Cl)s3)o2)C1 ZINC000740499563 603374403 /nfs/dbraw/zinc/37/44/03/603374403.db2.gz AFFYORQVTXEMFM-ZETCQYMHSA-N -1 0 345.833 3.544 20 0 EHADRM CC(C)c1ccc(NC(=S)N[C@@H]2CCC[C@H]2CNC(=O)[O-])cc1 ZINC000738875294 603374415 /nfs/dbraw/zinc/37/44/15/603374415.db2.gz FWHYWFACJSZHIJ-DZGCQCFKSA-N -1 0 335.473 3.533 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N[C@H]2C[C@H]2c2ccccc2)cc1 ZINC000825426329 603375741 /nfs/dbraw/zinc/37/57/41/603375741.db2.gz BXJWJCKWDOWFQT-ZLIFDBKOSA-N -1 0 339.395 3.693 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1)c1cccs1 ZINC000825427640 603378836 /nfs/dbraw/zinc/37/88/36/603378836.db2.gz XUNSBXRYKPABIM-GHMZBOCLSA-N -1 0 333.413 3.959 20 0 EHADRM Cc1cccc(OC[C@H](C)NC(=O)c2ccc(C)c(NC(=O)[O-])c2)c1 ZINC000830528206 603392663 /nfs/dbraw/zinc/39/26/63/603392663.db2.gz UPPOGCCIEIMSCW-AWEZNQCLSA-N -1 0 342.395 3.591 20 0 EHADRM Cc1ccnc(-c2ccc(NC(=O)c3cccc(NC(=O)[O-])c3)cc2)n1 ZINC000738792591 603393059 /nfs/dbraw/zinc/39/30/59/603393059.db2.gz NLZZJQDZLJZIHB-UHFFFAOYSA-N -1 0 348.362 3.794 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)C[C@@H]2CCc3ccccc32)c1 ZINC000740707008 603397618 /nfs/dbraw/zinc/39/76/18/603397618.db2.gz LBUOBOCMNAINMH-LBPRGKRZSA-N -1 0 328.343 3.974 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2CCSC[C@H]2c2ccccc2)c1 ZINC000740030052 603399355 /nfs/dbraw/zinc/39/93/55/603399355.db2.gz VLZTVSCIDTWEDW-INIZCTEOSA-N -1 0 342.420 3.707 20 0 EHADRM Cc1ccc(C(=O)Nc2cnn(-c3ccccc3)c2)cc1NC(=O)[O-] ZINC000830234249 603417910 /nfs/dbraw/zinc/41/79/10/603417910.db2.gz PNNNQSIAUDGMNZ-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM CCN(CC(=O)N1CCC[C@@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000739391882 603426424 /nfs/dbraw/zinc/42/64/24/603426424.db2.gz XNSCDVFXCJFUGN-QGZVFWFLSA-N -1 0 326.396 3.503 20 0 EHADRM Cn1c(C(=O)N2CCCN(C(=O)[O-])c3ccccc32)cc2ccccc21 ZINC000740280619 603431038 /nfs/dbraw/zinc/43/10/38/603431038.db2.gz XELYSAHKTYGSKG-UHFFFAOYSA-N -1 0 349.390 3.713 20 0 EHADRM C[C@H]1CCN(C)c2ccccc2N1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736795846 603432465 /nfs/dbraw/zinc/43/24/65/603432465.db2.gz APVGBVPJOPSTAW-ZDUSSCGKSA-N -1 0 339.395 3.652 20 0 EHADRM CC[C@H](Cc1ccccc1)N(C)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736903123 603434564 /nfs/dbraw/zinc/43/45/64/603434564.db2.gz HFPREBLNZIWNLK-QGZVFWFLSA-N -1 0 326.396 3.870 20 0 EHADRM Cc1ccc(NC(=O)N2CCC(N(CC3CC3)C(=O)[O-])CC2)c(C)c1 ZINC000830382212 603452308 /nfs/dbraw/zinc/45/23/08/603452308.db2.gz OIBJMOCPKUNQRS-UHFFFAOYSA-N -1 0 345.443 3.690 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(-c2ccccc2)cc1F)NC(=O)[O-] ZINC000823941541 603457894 /nfs/dbraw/zinc/45/78/94/603457894.db2.gz OLEXARCBGJSNJJ-UHFFFAOYSA-N -1 0 345.374 3.660 20 0 EHADRM Cc1ccc(NC(=S)NCCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738629060 603461454 /nfs/dbraw/zinc/46/14/54/603461454.db2.gz XJSGYLJZLMNWIU-UHFFFAOYSA-N -1 0 329.425 3.614 20 0 EHADRM C[C@@]1(c2ccccc2)CCN(C(=O)Nc2ccc(NC(=O)[O-])cc2)C1 ZINC000825772936 603470250 /nfs/dbraw/zinc/47/02/50/603470250.db2.gz UCLDEJHYJHFOKC-LJQANCHMSA-N -1 0 339.395 3.972 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-] ZINC000829866803 603477184 /nfs/dbraw/zinc/47/71/84/603477184.db2.gz DGOXNPIZLNOYPU-GDBMZVCRSA-N -1 0 348.443 3.685 20 0 EHADRM CC[C@H]1CCCCN1C(=O)c1cc(Cl)c(NC(=O)[O-])cc1OC ZINC000826669620 603525019 /nfs/dbraw/zinc/52/50/19/603525019.db2.gz XZMKUKQATBYVKD-JTQLQIEISA-N -1 0 340.807 3.843 20 0 EHADRM CCC[C@H](CC)NC(=O)c1cc(Cl)c(NC(=O)[O-])cc1OC ZINC000826733323 603532573 /nfs/dbraw/zinc/53/25/73/603532573.db2.gz BCWFXZHEEIRDKL-VIFPVBQESA-N -1 0 328.796 3.747 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NC1(C)CCCCC1 ZINC000829174461 603533700 /nfs/dbraw/zinc/53/37/00/603533700.db2.gz UCBDFUJKBMZUGY-UHFFFAOYSA-N -1 0 340.807 3.891 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N[C@@H](C)C1CCCC1 ZINC000829173306 603538666 /nfs/dbraw/zinc/53/86/66/603538666.db2.gz HOHSTALYQJVUBL-VIFPVBQESA-N -1 0 340.807 3.747 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)c1cccc(Cl)c1Cl ZINC000825081165 603632914 /nfs/dbraw/zinc/63/29/14/603632914.db2.gz AFMUWCQZGKSJBN-AEJSXWLSSA-N -1 0 345.226 3.607 20 0 EHADRM Cc1c(NC(=O)[C@H](NC(=O)[O-])c2ccccc2)sc2c1CCCC2 ZINC000829885061 603634223 /nfs/dbraw/zinc/63/42/23/603634223.db2.gz YSKCKYNJZTZYMR-OAHLLOKOSA-N -1 0 344.436 3.883 20 0 EHADRM CCN(CC1CCN(C(=O)CC/C=C\c2ccccc2)CC1)C(=O)[O-] ZINC000827059796 603753960 /nfs/dbraw/zinc/75/39/60/603753960.db2.gz SJEWXJVSPLVKEN-POHAHGRESA-N -1 0 344.455 3.719 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)[O-])cc1)c1nnc(-c2ccccc2)o1 ZINC000825616797 603767827 /nfs/dbraw/zinc/76/78/27/603767827.db2.gz KMACBALHTWGJPN-NSHDSACASA-N -1 0 325.324 3.967 20 0 EHADRM CC[C@@H](NCc1cccc2c1N(C(=O)[O-])CC2)c1nc(C)cs1 ZINC000826619398 603859090 /nfs/dbraw/zinc/85/90/90/603859090.db2.gz JUOIGZZJFDFNCC-CQSZACIVSA-N -1 0 331.441 3.733 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1 ZINC000828828818 603873982 /nfs/dbraw/zinc/87/39/82/603873982.db2.gz CEWDRIOZZOXTFL-MACMSNGSSA-N -1 0 346.427 3.644 20 0 EHADRM CC[C@H](SCc1nc(C(C)(C)NC(=O)[O-])no1)c1ccccc1 ZINC000826630952 603879387 /nfs/dbraw/zinc/87/93/87/603879387.db2.gz AVWDQSMOFQKQBS-LBPRGKRZSA-N -1 0 335.429 3.957 20 0 EHADRM COc1ccc(NC(=O)CCCc2csc(C)n2)cc1NC(=O)[O-] ZINC000829454510 603879822 /nfs/dbraw/zinc/87/98/22/603879822.db2.gz ZEBDRXVFWNPCPW-UHFFFAOYSA-N -1 0 349.412 3.511 20 0 EHADRM CC(C)(CCC(=O)Nc1cnccc1-c1cccc(F)c1)NC(=O)[O-] ZINC000823889696 603885737 /nfs/dbraw/zinc/88/57/37/603885737.db2.gz CKKNSGRMHHUEDD-UHFFFAOYSA-N -1 0 345.374 3.653 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2cc(C(F)(F)F)no2)c(Cl)c1 ZINC000832838716 603926561 /nfs/dbraw/zinc/92/65/61/603926561.db2.gz LLRRBMXLMUUSEA-UHFFFAOYSA-N -1 0 349.652 3.689 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)Nc2ccc(-c3ccccc3)cc2F)C1 ZINC000832287683 603947526 /nfs/dbraw/zinc/94/75/26/603947526.db2.gz OYJGVHSLLKLSKV-LSDHHAIUSA-N -1 0 342.370 3.868 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000826939165 603950818 /nfs/dbraw/zinc/95/08/18/603950818.db2.gz CBULRKFRSPSLFG-PWSUYJOCSA-N -1 0 340.807 3.504 20 0 EHADRM C[C@H](C(=O)N1Cc2ccccc2[C@@H]1C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823677952 603951531 /nfs/dbraw/zinc/95/15/31/603951531.db2.gz PQDQUCSUJMWLPX-SUNYJGFJSA-N -1 0 338.407 3.735 20 0 EHADRM Cc1ccc(C(=O)O[C@H](C)c2nc(C(C)C)no2)cc1NC(=O)[O-] ZINC000830237266 603953557 /nfs/dbraw/zinc/95/35/57/603953557.db2.gz HGFWYTAIVDTLRQ-SNVBAGLBSA-N -1 0 333.344 3.509 20 0 EHADRM CCC(CC)[C@H](NC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1)c1cccs1 ZINC000826566801 603954855 /nfs/dbraw/zinc/95/48/55/603954855.db2.gz XPEVLMXPXYIDCA-GUTXKFCHSA-N -1 0 338.473 3.778 20 0 EHADRM Cc1ccc(C(=O)OCCCC(=O)c2ccccc2)cc1NC(=O)[O-] ZINC000830236551 603957207 /nfs/dbraw/zinc/95/72/07/603957207.db2.gz BPLVWXQCSLNNLO-UHFFFAOYSA-N -1 0 341.363 3.905 20 0 EHADRM C[C@H]1CCN(C(=O)CCC(C)(C)NC(=O)[O-])[C@@H]1c1cccc(F)c1 ZINC000825939370 603961531 /nfs/dbraw/zinc/96/15/31/603961531.db2.gz UKXPOBYBFKTFED-LRDDRELGSA-N -1 0 336.407 3.562 20 0 EHADRM Cc1c(COc2ccccc2)cccc1NC(=O)C[C@H](C)NC(=O)[O-] ZINC000829866520 603966146 /nfs/dbraw/zinc/96/61/46/603966146.db2.gz AENNJHVMSSXMLF-ZDUSSCGKSA-N -1 0 342.395 3.559 20 0 EHADRM C[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000825895541 603986105 /nfs/dbraw/zinc/98/61/05/603986105.db2.gz MAZMBOVGIUDIQA-IUODEOHRSA-N -1 0 331.416 3.770 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)[C@@]1(C)CCN(C(=O)[O-])C1 ZINC000829867385 603996444 /nfs/dbraw/zinc/99/64/44/603996444.db2.gz MHNPZOVKCCWLKF-IBGZPJMESA-N -1 0 348.443 3.639 20 0 EHADRM Cc1nc(Cl)sc1C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000830765125 603998520 /nfs/dbraw/zinc/99/85/20/603998520.db2.gz PKHPMTBVWJXHMS-UHFFFAOYSA-N -1 0 329.740 3.586 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N(C2CC2)C2CCCC2)cc1 ZINC000825423893 604015390 /nfs/dbraw/zinc/01/53/90/604015390.db2.gz WIRFOORBZOBXEV-GFCCVEGCSA-N -1 0 331.416 3.954 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@H]2CCCc3[nH]ccc32)c(Cl)c1 ZINC000832833370 604016735 /nfs/dbraw/zinc/01/67/35/604016735.db2.gz KNUDTTHHCKJILK-AWEZNQCLSA-N -1 0 333.775 3.565 20 0 EHADRM CCS[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000827503906 604042095 /nfs/dbraw/zinc/04/20/95/604042095.db2.gz NUSNMCIVNJYWRV-GXTWGEPZSA-N -1 0 340.420 3.710 20 0 EHADRM Cc1ccccc1-c1cnc(CN2CCCC[C@@H]2[C@H](C)NC(=O)[O-])o1 ZINC000830546802 604048236 /nfs/dbraw/zinc/04/82/36/604048236.db2.gz ZDSMRYRMANEOFS-GOEBONIOSA-N -1 0 343.427 3.661 20 0 EHADRM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)Nc2ccc(C(C)(C)C)cc2)C1 ZINC000825235717 604061123 /nfs/dbraw/zinc/06/11/23/604061123.db2.gz HDSNFLBWXVDSFW-KBPBESRZSA-N -1 0 347.459 3.884 20 0 EHADRM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)Nc2ccccc2C(C)(C)C)C1 ZINC000825238269 604065386 /nfs/dbraw/zinc/06/53/86/604065386.db2.gz XWJQRCAUQAFBHF-KBPBESRZSA-N -1 0 347.459 3.884 20 0 EHADRM CC(C)c1ccccc1NC(=O)N(C)CC[C@H](NC(=O)[O-])C(C)C ZINC000824476471 604118590 /nfs/dbraw/zinc/11/85/90/604118590.db2.gz LCXUNBBNEAWHJS-HNNXBMFYSA-N -1 0 335.448 3.956 20 0 EHADRM CCS[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000827504280 604136775 /nfs/dbraw/zinc/13/67/75/604136775.db2.gz SVQHZHHOEIOWJS-UONOGXRCSA-N -1 0 337.445 3.962 20 0 EHADRM CN(Cc1cccc(NC(=O)N2CCC[C@@H]3CCC[C@H]32)c1)C(=O)[O-] ZINC000828375494 604137898 /nfs/dbraw/zinc/13/78/98/604137898.db2.gz JVGKCAAKESZWSM-GOEBONIOSA-N -1 0 331.416 3.593 20 0 EHADRM Cc1ccc(-c2nc(CN3CCC[C@@H]([C@H](C)NC(=O)[O-])C3)cs2)o1 ZINC000830154236 604164502 /nfs/dbraw/zinc/16/45/02/604164502.db2.gz GOOBXWKSSASHLM-QWHCGFSZSA-N -1 0 349.456 3.580 20 0 EHADRM C[C@H](OC(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1)c1cccs1 ZINC000825536190 604246713 /nfs/dbraw/zinc/24/67/13/604246713.db2.gz QIFOXQWCLKRTMQ-HUBLWGQQSA-N -1 0 333.409 3.997 20 0 EHADRM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)c2c(Cl)cccc2Cl)C1 ZINC000825235918 604260839 /nfs/dbraw/zinc/26/08/39/604260839.db2.gz IVFOULVIUVQAMD-UWVGGRQHSA-N -1 0 345.226 3.502 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2OC(F)(F)F)cc1F ZINC000833160712 604273477 /nfs/dbraw/zinc/27/34/77/604273477.db2.gz PAHIWMZMTFILNL-UHFFFAOYSA-N -1 0 343.232 3.675 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828901078 604289728 /nfs/dbraw/zinc/28/97/28/604289728.db2.gz ONBDHJQFLBDWDJ-HNNXBMFYSA-N -1 0 329.371 3.617 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)N[C@](C)(CNC(=O)[O-])C1CC1 ZINC000823858942 604337505 /nfs/dbraw/zinc/33/75/05/604337505.db2.gz FJJVFYABWFWVCU-GOSISDBHSA-N -1 0 333.432 3.542 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2CCC2CCCCC2)cn1 ZINC000430372378 604342548 /nfs/dbraw/zinc/34/25/48/604342548.db2.gz ZLJNMDQKIACXAN-MRXNPFEDSA-N -1 0 330.428 3.745 20 0 EHADRM CCC(CC)(C(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccccc1 ZINC000828770239 604344146 /nfs/dbraw/zinc/34/41/46/604344146.db2.gz GTGCKWDAMZBKGO-UHFFFAOYSA-N -1 0 346.452 3.857 20 0 EHADRM C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000828252564 604380308 /nfs/dbraw/zinc/38/03/08/604380308.db2.gz UYQYXMBDRLNPDZ-HFTRVMKXSA-N -1 0 347.455 3.550 20 0 EHADRM Cc1cc([C@H](C)N2CCO[C@H](c3ccc(F)cc3)C2)oc1C(=O)[O-] ZINC000519638722 604381353 /nfs/dbraw/zinc/38/13/53/604381353.db2.gz GAPWQOGINUELEC-LRDDRELGSA-N -1 0 333.359 3.560 20 0 EHADRM Cc1cc(F)c(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1F ZINC000832887291 604381945 /nfs/dbraw/zinc/38/19/45/604381945.db2.gz NLNJBNNWVDJFLH-INIZCTEOSA-N -1 0 347.361 3.855 20 0 EHADRM Cc1ccc(F)c(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])c1 ZINC000832935188 604387698 /nfs/dbraw/zinc/38/76/98/604387698.db2.gz BEDPYLKIGWCSIG-MRXNPFEDSA-N -1 0 329.371 3.716 20 0 EHADRM C[C@@H]1CCC[C@@H](OCC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000828244820 604392055 /nfs/dbraw/zinc/39/20/55/604392055.db2.gz DFRPNQFFPSPQMM-QGPMSJSTSA-N -1 0 347.455 3.550 20 0 EHADRM Cc1ccc(OCCCC(=O)Oc2cccc(CC(=O)[O-])c2)c(C)c1 ZINC000832952603 604410825 /nfs/dbraw/zinc/41/08/25/604410825.db2.gz UORPWLLZOIJIRG-UHFFFAOYSA-N -1 0 342.391 3.695 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)[C@H](C)c2cccc(F)c2)cc1 ZINC000825372494 604445361 /nfs/dbraw/zinc/44/53/61/604445361.db2.gz NSWIJJFAOZJOSA-CHWSQXEVSA-N -1 0 344.386 3.574 20 0 EHADRM C[C@@H](C(=O)NCc1ccc([C@H](C)NC(=O)[O-])cc1)c1cccc(F)c1 ZINC000825372495 604445479 /nfs/dbraw/zinc/44/54/79/604445479.db2.gz NSWIJJFAOZJOSA-OLZOCXBDSA-N -1 0 344.386 3.574 20 0 EHADRM C[C@@H](C(=O)NCc1ccc([C@H](C)NC(=O)[O-])cc1)c1ccccc1F ZINC000825372375 604453308 /nfs/dbraw/zinc/45/33/08/604453308.db2.gz NFOWEIMMJGFMBC-OLZOCXBDSA-N -1 0 344.386 3.574 20 0 EHADRM C[C@H](NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])c1cccs1 ZINC000827659230 604454542 /nfs/dbraw/zinc/45/45/42/604454542.db2.gz OMGODYPSSCECNX-SWLSCSKDSA-N -1 0 346.452 3.960 20 0 EHADRM Cc1cccc(CNC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c1 ZINC000832967234 604461351 /nfs/dbraw/zinc/46/13/51/604461351.db2.gz VVSYILFCRFHSAC-KRWDZBQOSA-N -1 0 340.423 3.646 20 0 EHADRM CC(C)[C@@H](NC(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccc(Cl)cc1 ZINC000826698890 604480041 /nfs/dbraw/zinc/48/00/41/604480041.db2.gz ASODWSXUUUFYTR-GDBMZVCRSA-N -1 0 338.835 3.686 20 0 EHADRM CC(C)[C@H](NC(=O)N1CCC[C@H]1CC(=O)[O-])c1ccc(Cl)cc1 ZINC000826698895 604480106 /nfs/dbraw/zinc/48/01/06/604480106.db2.gz ASODWSXUUUFYTR-HOCLYGCPSA-N -1 0 338.835 3.686 20 0 EHADRM O=C([O-])c1csc(NC(=O)N2CCC[C@H]2c2cccc(F)c2)c1 ZINC000833342341 604488966 /nfs/dbraw/zinc/48/89/66/604488966.db2.gz JSRNMNKYMJMQKA-ZDUSSCGKSA-N -1 0 334.372 3.954 20 0 EHADRM C[C@H](Oc1ccccc1Cl)C(=O)OC1CCC(CC(=O)[O-])CC1 ZINC000833541727 604498194 /nfs/dbraw/zinc/49/81/94/604498194.db2.gz FAPFRDDEDSKNCS-HIFPTAJRSA-N -1 0 340.803 3.684 20 0 EHADRM CN(C(=O)Nc1cc(C(=O)[O-])cs1)[C@H]1CCCc2ccccc21 ZINC000830500532 604500013 /nfs/dbraw/zinc/50/00/13/604500013.db2.gz RTTXGVSAZSIQIN-AWEZNQCLSA-N -1 0 330.409 3.988 20 0 EHADRM O=C([O-])c1csc(NC(=O)N[C@@H]2CCc3cc(Cl)ccc32)c1 ZINC000833151950 604500924 /nfs/dbraw/zinc/50/09/24/604500924.db2.gz WKMZUVWNDYISLR-GFCCVEGCSA-N -1 0 336.800 3.909 20 0 EHADRM C/C(=C/COC(=O)c1cc(-c2ccccn2)ccc1Cl)C(=O)[O-] ZINC000833382855 604515625 /nfs/dbraw/zinc/51/56/25/604515625.db2.gz IZBJPLNIQOZBIK-XFFZJAGNSA-N -1 0 331.755 3.590 20 0 EHADRM CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2cc(C(=O)[O-])cs2)C1 ZINC000830150040 604515942 /nfs/dbraw/zinc/51/59/42/604515942.db2.gz MIELZUIZLJEPEM-WDEREUQCSA-N -1 0 328.459 3.584 20 0 EHADRM Cc1cccc(Oc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])c1[N+](=O)[O-] ZINC000327368397 604528071 /nfs/dbraw/zinc/52/80/71/604528071.db2.gz KRKCCHNUEJIQPJ-VURMDHGXSA-N -1 0 344.279 3.702 20 0 EHADRM CC(C)[C@H]1CCN(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000826735892 604531518 /nfs/dbraw/zinc/53/15/18/604531518.db2.gz JOYDDIUDIWAKAW-JKSUJKDBSA-N -1 0 332.444 3.526 20 0 EHADRM C[C@@H](c1ccccc1Br)N(C)Cc1c[nH]c(C(=O)[O-])c1 ZINC000833550755 604532726 /nfs/dbraw/zinc/53/27/26/604532726.db2.gz XAYSSXKKHWXXMW-JTQLQIEISA-N -1 0 337.217 3.668 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)CSc2ccccc2C)oc1C(=O)[O-] ZINC000832981425 604542959 /nfs/dbraw/zinc/54/29/59/604542959.db2.gz HDUDBDVLMNXKPB-GFCCVEGCSA-N -1 0 334.393 3.991 20 0 EHADRM CC(C)[C@@H](C(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccc(F)cc1 ZINC000833464627 604543447 /nfs/dbraw/zinc/54/34/47/604543447.db2.gz AONUOMSXUOUUMS-GOSISDBHSA-N -1 0 345.370 3.667 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2cc(-c3ccccc3)[nH]n2)oc1C(=O)[O-] ZINC000832876988 604551067 /nfs/dbraw/zinc/55/10/67/604551067.db2.gz WLDPQJJECPKYBJ-NSHDSACASA-N -1 0 340.335 3.594 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)[C@@H]2Cc3ccccc3S2)oc1C(=O)[O-] ZINC000832873787 604552303 /nfs/dbraw/zinc/55/23/03/604552303.db2.gz HYMVCHIRTXEFHE-YGRLFVJLSA-N -1 0 332.377 3.607 20 0 EHADRM CC[C@H](C(=O)N1CCC[C@@H]1CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000262842213 604559960 /nfs/dbraw/zinc/55/99/60/604559960.db2.gz CIOCHFFIOYZKGA-KGLIPLIRSA-N -1 0 343.345 3.665 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2cc3c(cccc3F)[nH]2)oc1C(=O)[O-] ZINC000832877374 604565151 /nfs/dbraw/zinc/56/51/51/604565151.db2.gz XSKJKWRZZQGLFC-VIFPVBQESA-N -1 0 331.299 3.825 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)CC(c1ccccc1)c1ccccc1 ZINC000263028305 604573386 /nfs/dbraw/zinc/57/33/86/604573386.db2.gz URHGSRALERVDNN-GOSISDBHSA-N -1 0 337.419 3.674 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)[C@@H](C)Cc2cccc(F)c2)oc1C(=O)[O-] ZINC000832877911 604576022 /nfs/dbraw/zinc/57/60/22/604576022.db2.gz VHFKRUJONVUVBO-NWDGAFQWSA-N -1 0 334.343 3.908 20 0 EHADRM CC(C)[C@@H](C(=O)NCCc1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000833465756 604586354 /nfs/dbraw/zinc/58/63/54/604586354.db2.gz NCFVMGGKYQJJOZ-GOSISDBHSA-N -1 0 343.398 3.622 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)C[C@@H]2CCOc3ccccc32)oc1C(=O)[O-] ZINC000832875919 604587896 /nfs/dbraw/zinc/58/78/96/604587896.db2.gz PJRPBNYUUPDGCH-OLZOCXBDSA-N -1 0 344.363 3.847 20 0 EHADRM CC1(C)CC[C@H](NC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)C1 ZINC000833557980 604589147 /nfs/dbraw/zinc/58/91/47/604589147.db2.gz AFRAJWWUDVPYDX-NSHDSACASA-N -1 0 340.807 3.504 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)Nc2cccc(SCCC(=O)[O-])c2)C1 ZINC000833558003 604589436 /nfs/dbraw/zinc/58/94/36/604589436.db2.gz AVWJOKJBTUQUHI-CYBMUJFWSA-N -1 0 336.457 3.954 20 0 EHADRM Cc1cc([C@H](C)OC(=O)[C@@H]2C[C@@]23CCc2ccccc23)oc1C(=O)[O-] ZINC000832878960 604594301 /nfs/dbraw/zinc/59/43/01/604594301.db2.gz ZOFXYBBKECNNSI-NRKGENKXSA-N -1 0 340.375 3.795 20 0 EHADRM CC(C)N(Cc1cccs1)C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000325059493 604599723 /nfs/dbraw/zinc/59/97/23/604599723.db2.gz RYWHUKQGNXXFDZ-UHFFFAOYSA-N -1 0 346.452 3.609 20 0 EHADRM CC(C)CN(C(=O)NCCc1cccc(C(=O)[O-])c1)C1CCCC1 ZINC000325745180 604599797 /nfs/dbraw/zinc/59/97/97/604599797.db2.gz YKFQLCRBZXAMQW-UHFFFAOYSA-N -1 0 332.444 3.538 20 0 EHADRM Cc1cc([C@H](C)OC(=O)COC/C=C/c2ccccc2)oc1C(=O)[O-] ZINC000832872682 604601603 /nfs/dbraw/zinc/60/16/03/604601603.db2.gz TYAISNCDEKWMBA-MRZGDXHCSA-N -1 0 344.363 3.620 20 0 EHADRM CC(C)n1nccc1C(=O)OCc1c2ccccc2sc1C(=O)[O-] ZINC000827206677 604605633 /nfs/dbraw/zinc/60/56/33/604605633.db2.gz BFQVOOHMWNQONU-UHFFFAOYSA-N -1 0 344.392 3.734 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)O[C@H](C)Cc1ccc(Cl)s1 ZINC000833484717 604614959 /nfs/dbraw/zinc/61/49/59/604614959.db2.gz REOGVACBHCBBJL-KOLCDFICSA-N -1 0 333.837 3.558 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)Nc1ccc(-c2ccccc2)cc1F ZINC000833209256 604619125 /nfs/dbraw/zinc/61/91/25/604619125.db2.gz DBCRTIJKUKNYQE-OAHLLOKOSA-N -1 0 342.370 3.964 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)N3CCC[C@@H]3CC(=O)[O-])ccc21 ZINC000826917720 604624717 /nfs/dbraw/zinc/62/47/17/604624717.db2.gz IQLQIUZHFCIUOZ-MRXNPFEDSA-N -1 0 343.427 3.768 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)Nc1cccc(-c2cccs2)c1 ZINC000833213333 604626430 /nfs/dbraw/zinc/62/64/30/604626430.db2.gz GXNARUISXFZNSS-AWEZNQCLSA-N -1 0 330.409 3.886 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)N2CCC[C@@H]2CC(=O)[O-])cc1 ZINC000826860883 604634778 /nfs/dbraw/zinc/63/47/78/604634778.db2.gz HLMJVSDWBRAGPH-OAHLLOKOSA-N -1 0 334.416 3.583 20 0 EHADRM O=C([O-])c1cccc(NC2CCN(c3ccc(Cl)cn3)CC2)c1 ZINC000833331966 604641243 /nfs/dbraw/zinc/64/12/43/604641243.db2.gz VYSYXLWAHMPGDG-UHFFFAOYSA-N -1 0 331.803 3.514 20 0 EHADRM CCN(CC)c1ncc(CNc2ccc(N(C)C(=O)[O-])cc2)s1 ZINC000829687697 604643319 /nfs/dbraw/zinc/64/33/19/604643319.db2.gz OHYVSHBIMAATKN-UHFFFAOYSA-N -1 0 334.445 3.716 20 0 EHADRM CN(C(=O)[O-])c1ccc(NCc2cnc3ccc(Cl)cn23)cc1 ZINC000830519726 604644294 /nfs/dbraw/zinc/64/42/94/604644294.db2.gz UQNGVQWIWWGQEK-UHFFFAOYSA-N -1 0 330.775 3.714 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1cccc(OCC(F)(F)F)c1 ZINC000833162088 604646985 /nfs/dbraw/zinc/64/69/85/604646985.db2.gz HSLZLMXBYSNTGJ-UHFFFAOYSA-N -1 0 345.298 3.640 20 0 EHADRM C[C@@H](Oc1ccc(CN2CC[C@@H]2c2cccc(F)c2)cc1)C(=O)[O-] ZINC000833542636 604664575 /nfs/dbraw/zinc/66/45/75/604664575.db2.gz RNNKPKRGLSMWHY-FZKQIMNGSA-N -1 0 329.371 3.625 20 0 EHADRM CCCCn1ncc(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)c1C ZINC000829446833 604665001 /nfs/dbraw/zinc/66/50/01/604665001.db2.gz GWOZPPSALVJMRV-ZDUSSCGKSA-N -1 0 330.384 3.608 20 0 EHADRM COc1ccccc1CSc1ccccc1NC(=O)CCC(=O)[O-] ZINC000338187073 604670690 /nfs/dbraw/zinc/67/06/90/604670690.db2.gz DZJZAZNNQWIRIQ-UHFFFAOYSA-N -1 0 345.420 3.791 20 0 EHADRM CCOc1ccc([C@H](C)NC(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC000679094492 604671910 /nfs/dbraw/zinc/67/19/10/604671910.db2.gz VXXFJVZXYMIXMP-AWEZNQCLSA-N -1 0 341.407 3.594 20 0 EHADRM Cc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000832977013 604685195 /nfs/dbraw/zinc/68/51/95/604685195.db2.gz MPLCOKPFTYXNSU-DOTOQJQBSA-N -1 0 332.444 3.731 20 0 EHADRM CCC[C@H](C)[C@@H]1CCCN1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000829208905 604685716 /nfs/dbraw/zinc/68/57/16/604685716.db2.gz PAKIAYVYXCMFDL-YOEHRIQHSA-N -1 0 347.459 3.929 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccc(F)c(Cl)c1)c1ccc(F)cc1 ZINC000833349110 604694748 /nfs/dbraw/zinc/69/47/48/604694748.db2.gz BNGTVNZQVRMTQA-CYBMUJFWSA-N -1 0 326.682 3.601 20 0 EHADRM CC(C)(C)c1ncc(C(=O)OCc2ccc(C(=O)[O-])cc2F)s1 ZINC000833451469 604700829 /nfs/dbraw/zinc/70/08/29/604700829.db2.gz VKMZNBDQEHQLFO-UHFFFAOYSA-N -1 0 337.372 3.635 20 0 EHADRM CC(C)Cc1ccc(CC(=O)Nc2nc(CCC(=O)[O-])cs2)cc1 ZINC000826913502 604729654 /nfs/dbraw/zinc/72/96/54/604729654.db2.gz YBYYNIHEVOJZHH-UHFFFAOYSA-N -1 0 346.452 3.540 20 0 EHADRM O=C([O-])CCc1csc(NC(=O)c2cccc3ccccc32)n1 ZINC000833244278 604732076 /nfs/dbraw/zinc/73/20/76/604732076.db2.gz YKAXQKMWNZAZAS-UHFFFAOYSA-N -1 0 326.377 3.566 20 0 EHADRM CC/C(=C/C(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccccc1 ZINC000828548905 604732568 /nfs/dbraw/zinc/73/25/68/604732568.db2.gz HCCAQCPRYHCDDN-BENRWUELSA-N -1 0 330.409 3.592 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1cccc(C(=O)[O-])c1 ZINC000432119329 604742788 /nfs/dbraw/zinc/74/27/88/604742788.db2.gz DFAVAQZCKKJAOM-VXGBXAGGSA-N -1 0 327.355 3.672 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000357444866 604744283 /nfs/dbraw/zinc/74/42/83/604744283.db2.gz YRFJRXWQCDYLTF-NEPJUHHUSA-N -1 0 327.355 3.672 20 0 EHADRM Cc1cc([C@@H](C)Sc2nccn2Cc2ccccn2)oc1C(=O)[O-] ZINC000832876806 604745367 /nfs/dbraw/zinc/74/53/67/604745367.db2.gz YHUGJXJOBSNYQF-GFCCVEGCSA-N -1 0 343.408 3.779 20 0 EHADRM O=C([O-])c1ccc(OC[C@@H](O)c2ccc(Cl)cc2Cl)cc1 ZINC000833781471 604746503 /nfs/dbraw/zinc/74/65/03/604746503.db2.gz CEVYJCAVBQCRCG-CQSZACIVSA-N -1 0 327.163 3.804 20 0 EHADRM Cc1ccc(-n2c(S[C@H](C)C(=O)[O-])nnc2-c2cccs2)cc1 ZINC000832910255 604751309 /nfs/dbraw/zinc/75/13/09/604751309.db2.gz WIEVBCZXYUYQIS-LLVKDONJSA-N -1 0 345.449 3.869 20 0 EHADRM CC(C)C[C@@H](CNC(=O)c1ccccc1CCC(F)(F)F)C(=O)[O-] ZINC000263517612 604760461 /nfs/dbraw/zinc/76/04/61/604760461.db2.gz FNOGAJWTBTVIAL-ZDUSSCGKSA-N -1 0 345.361 3.658 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC000262800669 604762224 /nfs/dbraw/zinc/76/22/24/604762224.db2.gz MJVVIXYCKAWDER-ACJLOTCBSA-N -1 0 341.382 3.676 20 0 EHADRM CC(C)(NC(=O)CCc1ccccc1C(=O)[O-])c1ccc(F)c(F)c1 ZINC000262073721 604775934 /nfs/dbraw/zinc/77/59/34/604775934.db2.gz DFTBWZQGRBJYGO-UHFFFAOYSA-N -1 0 347.361 3.647 20 0 EHADRM CC(C)(C)[S@@](=O)Cc1cccc(NCc2ccoc2C(=O)[O-])c1 ZINC000833447545 604777639 /nfs/dbraw/zinc/77/76/39/604777639.db2.gz TXDHCUDSKNHVCK-QHCPKHFHSA-N -1 0 335.425 3.637 20 0 EHADRM C/C(=C\c1cccc(Cl)c1)C(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC000761864311 604779895 /nfs/dbraw/zinc/77/98/95/604779895.db2.gz HLQLHDLJNMKVCB-SOGBHIHOSA-N -1 0 347.773 3.825 20 0 EHADRM Cc1cccc(Oc2ccccc2NC(=O)c2cnc(C(=O)[O-])cn2)c1 ZINC000439927364 604781014 /nfs/dbraw/zinc/78/10/14/604781014.db2.gz TTZJMJISUHUFAU-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM C[C@H]1CCC[C@@H](C(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)C1 ZINC000828233831 604782671 /nfs/dbraw/zinc/78/26/71/604782671.db2.gz SVHWRRAFXZFGFQ-LSDHHAIUSA-N -1 0 344.455 3.614 20 0 EHADRM CC(C)(C)c1ccc(O)c(NC(=O)Cc2ccccc2C(=O)[O-])c1 ZINC000833448627 604789624 /nfs/dbraw/zinc/78/96/24/604789624.db2.gz ADBQZIPUZOIIIK-UHFFFAOYSA-N -1 0 327.380 3.569 20 0 EHADRM CC(C)(C(=O)Nc1cccc(C(=O)[O-])c1O)c1cccc(Cl)c1 ZINC000833411849 604797371 /nfs/dbraw/zinc/79/73/71/604797371.db2.gz SDROAFCRGPUBJJ-UHFFFAOYSA-N -1 0 333.771 3.660 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CC=C(c3ccc(F)cc3)CC2)cc1F ZINC000833309703 604807379 /nfs/dbraw/zinc/80/73/79/604807379.db2.gz ZAWMCZKUCRVWHV-UHFFFAOYSA-N -1 0 343.329 3.593 20 0 EHADRM C[C@H](CSCc1ccccc1)C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC000827581579 604811498 /nfs/dbraw/zinc/81/14/98/604811498.db2.gz OYZHGLRDLUJKTI-CQSZACIVSA-N -1 0 344.432 3.789 20 0 EHADRM CCOc1cccc(CCNc2nc(Cl)c(C(=O)[O-])s2)c1 ZINC000830099509 604812872 /nfs/dbraw/zinc/81/28/72/604812872.db2.gz GYLAGFCZJPCTPE-UHFFFAOYSA-N -1 0 326.805 3.548 20 0 EHADRM CCC[C@@H](Cc1ccccc1)NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000829223270 604818553 /nfs/dbraw/zinc/81/85/53/604818553.db2.gz OBHKVSSUCINQFW-HNNXBMFYSA-N -1 0 329.371 3.665 20 0 EHADRM CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000236799002 604818561 /nfs/dbraw/zinc/81/85/61/604818561.db2.gz ZYELYMRDEMHPRM-UHFFFAOYSA-N -1 0 346.770 3.557 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)cc1F ZINC000833132052 604824816 /nfs/dbraw/zinc/82/48/16/604824816.db2.gz QHVIHCIJSQQWKH-KSSFIOAISA-N -1 0 341.382 3.665 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1cnc(C(C)C)s1)c1ccccc1 ZINC000828595235 604826590 /nfs/dbraw/zinc/82/65/90/604826590.db2.gz UVIIATAFTVDYPL-CYBMUJFWSA-N -1 0 332.425 3.777 20 0 EHADRM CN(Cc1cc2ccccc2o1)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000830810598 604828875 /nfs/dbraw/zinc/82/88/75/604828875.db2.gz BZFPHOGJEMOPDV-UHFFFAOYSA-N -1 0 327.311 3.542 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)[C@@H](C)CSCc1ccccc1 ZINC000833025854 604842909 /nfs/dbraw/zinc/84/29/09/604842909.db2.gz SVBZXKJORZESAF-LBPRGKRZSA-N -1 0 348.420 3.899 20 0 EHADRM Cc1ccc2cc(C(=O)O[C@H](C(=O)[O-])c3ccc(F)cc3)ccc2n1 ZINC000832961945 604844474 /nfs/dbraw/zinc/84/44/74/604844474.db2.gz JLACVAVQWGXHAP-KRWDZBQOSA-N -1 0 339.322 3.665 20 0 EHADRM C[C@H](c1ncc(C(C)(C)C)o1)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000584178571 604848964 /nfs/dbraw/zinc/84/89/64/604848964.db2.gz XQOFRABAAAJDJF-GFCCVEGCSA-N -1 0 328.412 3.790 20 0 EHADRM CCCCc1nc(COC(=O)c2ccc(C(=O)[O-])c(F)c2)cs1 ZINC000829440817 604849782 /nfs/dbraw/zinc/84/97/82/604849782.db2.gz QMXBSKLIOQNUDB-UHFFFAOYSA-N -1 0 337.372 3.680 20 0 EHADRM Cc1cc(C)cc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)c1 ZINC000237831024 604852880 /nfs/dbraw/zinc/85/28/80/604852880.db2.gz XZZFTMUGRBQUCH-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM C[C@@H](CC(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21)c1ccc(F)cc1 ZINC000669435750 604858622 /nfs/dbraw/zinc/85/86/22/604858622.db2.gz QHPLKBDZKAGEQB-SUMWQHHRSA-N -1 0 341.382 3.924 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000669435791 604860128 /nfs/dbraw/zinc/86/01/28/604860128.db2.gz RIXLVJQWDAKETD-RDTXWAMCSA-N -1 0 337.419 3.958 20 0 EHADRM CC[C@@](NC(=O)[C@H]1CCCc2sccc21)(C(=O)[O-])c1ccccc1 ZINC000431427347 604861525 /nfs/dbraw/zinc/86/15/25/604861525.db2.gz MYPCAKAMUMKQIL-KXBFYZLASA-N -1 0 343.448 3.674 20 0 EHADRM CC(C)[C@@H](C(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1)c1ccccc1 ZINC000833465848 604868681 /nfs/dbraw/zinc/86/86/81/604868681.db2.gz NUMZWNDXCWIDFA-OAHLLOKOSA-N -1 0 337.379 3.639 20 0 EHADRM C[C@@H](CC(=O)N1Cc2ccccc2[C@H]1C)C1CCN(C(=O)[O-])CC1 ZINC000824604435 604881961 /nfs/dbraw/zinc/88/19/61/604881961.db2.gz DJKKGRXXLBCYLM-UONOGXRCSA-N -1 0 330.428 3.506 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000325493300 604885249 /nfs/dbraw/zinc/88/52/49/604885249.db2.gz YVWFBHRWDYRSCA-ZDUSSCGKSA-N -1 0 343.345 3.668 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)/C=C/c2ccc(Cl)s2)C1 ZINC000317087156 604886723 /nfs/dbraw/zinc/88/67/23/604886723.db2.gz AHMMLWKELGKODE-LXSSAFMLSA-N -1 0 341.860 3.764 20 0 EHADRM CC1=C(C(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])CCC1 ZINC000262096639 604893517 /nfs/dbraw/zinc/89/35/17/604893517.db2.gz MHXKNMSOEWWYGV-GOSISDBHSA-N -1 0 337.419 3.700 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000679103170 604896578 /nfs/dbraw/zinc/89/65/78/604896578.db2.gz AICMZKXJOOAGHN-YOEHRIQHSA-N -1 0 331.456 3.702 20 0 EHADRM CC(C)c1cc(C(=O)Nc2cncc(C(=O)[O-])c2)c2ccccc2n1 ZINC000827107120 604899512 /nfs/dbraw/zinc/89/95/12/604899512.db2.gz LVQSCZVTEOTCKG-UHFFFAOYSA-N -1 0 335.363 3.704 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cccc(-c2ccoc2)c1)c1ccccc1 ZINC000190472921 604902209 /nfs/dbraw/zinc/90/22/09/604902209.db2.gz SMBDUQXDXMWEPR-GOSISDBHSA-N -1 0 335.359 3.892 20 0 EHADRM CCCn1c2ccccc2nc1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000829580549 604924522 /nfs/dbraw/zinc/92/45/22/604924522.db2.gz ZEUNLLBFFOLMLT-UHFFFAOYSA-N -1 0 341.342 3.536 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)Cc1ccccc1Cl ZINC000237937409 604935107 /nfs/dbraw/zinc/93/51/07/604935107.db2.gz IRJVYKVIJDLSBG-UHFFFAOYSA-N -1 0 345.826 3.776 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1ccc2ncccc2c1 ZINC000237952154 604936013 /nfs/dbraw/zinc/93/60/13/604936013.db2.gz OHSRWBIVOYVVCX-UHFFFAOYSA-N -1 0 348.402 3.742 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(-c3ccccc3)cn2)cc1F ZINC000833152475 604943521 /nfs/dbraw/zinc/94/35/21/604943521.db2.gz APELEOAFRJXJTO-UHFFFAOYSA-N -1 0 336.322 3.838 20 0 EHADRM O=C([O-])c1ccc(OC(=O)c2cccc([C@@H]3CCOC3)c2)c(Cl)c1 ZINC000833781482 604956005 /nfs/dbraw/zinc/95/60/05/604956005.db2.gz CLRNLNDMKQUAPG-CQSZACIVSA-N -1 0 346.766 3.761 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)N[C@H]2CC3CCC2CC3)c1 ZINC000833263329 604956651 /nfs/dbraw/zinc/95/66/51/604956651.db2.gz MJWNHRVSNAZLSQ-PXCJXSSVSA-N -1 0 348.468 3.705 20 0 EHADRM C[C@]1(NC(=O)c2ccc(-c3ccco3)s2)CCCC[C@H]1C(=O)[O-] ZINC000833567054 604963669 /nfs/dbraw/zinc/96/36/69/604963669.db2.gz FNTCHSNOUVOMCS-GTNSWQLSSA-N -1 0 333.409 3.771 20 0 EHADRM C[C@@H](CC(=O)N1CC[C@H]1c1cccc(F)c1)C1CCN(C(=O)[O-])CC1 ZINC000824570003 604967383 /nfs/dbraw/zinc/96/73/83/604967383.db2.gz AHYBKONUQUYNGT-GUYCJALGSA-N -1 0 348.418 3.515 20 0 EHADRM CC(C)Cc1ccc([C@@H](C)C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000833492260 604971746 /nfs/dbraw/zinc/97/17/46/604971746.db2.gz DNQPCMBPARAAPG-CRAIPNDOSA-N -1 0 343.467 3.702 20 0 EHADRM O=C([O-])[C@H](N[C@H](Cc1ccccc1)c1cccs1)c1cccnc1 ZINC000833167836 604973856 /nfs/dbraw/zinc/97/38/56/604973856.db2.gz QNCWDUOSKZWSIP-SJLPKXTDSA-N -1 0 338.432 3.842 20 0 EHADRM CCc1ccc([C@H](C)NC(=O)Nc2nc(CCC(=O)[O-])cs2)cc1 ZINC000830237276 604982007 /nfs/dbraw/zinc/98/20/07/604982007.db2.gz IMLWDQRSHURMRG-NSHDSACASA-N -1 0 347.440 3.605 20 0 EHADRM CCc1nc(NC(=O)C/C=C\c2ccc(C)cc2)sc1C(=O)[O-] ZINC000833676191 604994287 /nfs/dbraw/zinc/99/42/87/604994287.db2.gz MMQJVSFNFYYDQK-PLNGDYQASA-N -1 0 330.409 3.754 20 0 EHADRM Cc1scc(C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)c1C ZINC000263553986 605008719 /nfs/dbraw/zinc/00/87/19/605008719.db2.gz XYMLZCKRRBSJDR-UHFFFAOYSA-N -1 0 347.436 3.539 20 0 EHADRM Cc1scc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)c1C ZINC000263119570 605008739 /nfs/dbraw/zinc/00/87/39/605008739.db2.gz KLLASHRMVCFITI-UHFFFAOYSA-N -1 0 335.450 3.935 20 0 EHADRM Cc1scc(C(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)c1C ZINC000833759044 605011667 /nfs/dbraw/zinc/01/16/67/605011667.db2.gz ILPFJYBGXVJJNK-UHFFFAOYSA-N -1 0 347.421 3.767 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)OCc1csc(-c2ccsc2)n1 ZINC000833455770 605034233 /nfs/dbraw/zinc/03/42/33/605034233.db2.gz ZIANKLOFOGDLRX-UHFFFAOYSA-N -1 0 339.438 3.806 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)N[C@H](C(=O)[O-])c2ccccn2)cc1 ZINC000833510346 605045292 /nfs/dbraw/zinc/04/52/92/605045292.db2.gz RWYXKSAFVYEBPM-VOFKWLDRSA-N -1 0 338.407 3.550 20 0 EHADRM C[C@H](c1ccc(C(=O)[O-])o1)N1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000833547705 605049791 /nfs/dbraw/zinc/04/97/91/605049791.db2.gz HTIQLPLKXYYJED-UONOGXRCSA-N -1 0 346.402 3.557 20 0 EHADRM C[C@@H](CC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1F ZINC000190918536 605053473 /nfs/dbraw/zinc/05/34/73/605053473.db2.gz MDCVTAVNBMIDRV-LBPRGKRZSA-N -1 0 347.361 3.815 20 0 EHADRM C[C@H]1CC(=O)c2c1c(F)ccc2OCc1ccccc1CC(=O)[O-] ZINC000833591708 605058097 /nfs/dbraw/zinc/05/80/97/605058097.db2.gz HMXPEXTVHGLCOW-NSHDSACASA-N -1 0 328.339 3.722 20 0 EHADRM CC[C@H](C)OCC(=O)OCc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000833640975 605060246 /nfs/dbraw/zinc/06/02/46/605060246.db2.gz LBJCOQICUKXLDO-VIFPVBQESA-N -1 0 340.372 3.597 20 0 EHADRM CC(C)(C)c1cc(NC(=O)CC(C)(C)CC(=O)[O-])n(C(C)(C)C)n1 ZINC000833455559 605067058 /nfs/dbraw/zinc/06/70/58/605067058.db2.gz JGEULLBHMBKZPX-UHFFFAOYSA-N -1 0 337.464 3.765 20 0 EHADRM CC(C)[C@H]1C[C@H](CC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)CCO1 ZINC000833470784 605073368 /nfs/dbraw/zinc/07/33/68/605073368.db2.gz LPZNHLFEQMTRCF-IAQYHMDHSA-N -1 0 338.379 3.695 20 0 EHADRM CC(C)Cc1ccc([C@H](C)NC(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000194383286 605079589 /nfs/dbraw/zinc/07/95/89/605079589.db2.gz VAIDLSYOOXOEMS-NNGSBXSVSA-N -1 0 331.456 3.953 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Oc1ccc(Cl)cc1Br ZINC000833455501 605096109 /nfs/dbraw/zinc/09/61/09/605096109.db2.gz TYVABJLRYDSQNR-UHFFFAOYSA-N -1 0 349.608 3.899 20 0 EHADRM CCC(CC)(CNC(=O)N(C)Cc1cccc2ccccc21)C(=O)[O-] ZINC000424412158 605096302 /nfs/dbraw/zinc/09/63/02/605096302.db2.gz MNEUSLGTTODDAZ-UHFFFAOYSA-N -1 0 342.439 3.872 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc2cnn(C(C)C)c2c1)C(=O)[O-] ZINC000424475640 605097992 /nfs/dbraw/zinc/09/79/92/605097992.db2.gz SVXHROLLFLURKN-UHFFFAOYSA-N -1 0 346.431 3.630 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)NCC1(C2CC2)CCC1)C(=O)[O-] ZINC000193020577 605098692 /nfs/dbraw/zinc/09/86/92/605098692.db2.gz XVIAFVZQUAJZJI-GFCCVEGCSA-N -1 0 333.453 3.562 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)/C=C/c1ccc2[nH]ccc2c1)c1ccccc1 ZINC000833410961 605129382 /nfs/dbraw/zinc/12/93/82/605129382.db2.gz JQQBMIHEYJSNBA-FTIDZICGSA-N -1 0 348.402 3.759 20 0 EHADRM O=C([O-])c1ccccc1OC(=O)c1coc(-c2ccccc2Cl)n1 ZINC000833785596 605129533 /nfs/dbraw/zinc/12/95/33/605129533.db2.gz HNQIZUKNOYDZGO-UHFFFAOYSA-N -1 0 343.722 3.912 20 0 EHADRM C[C@@H]1CCCCN1C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000390107879 605135985 /nfs/dbraw/zinc/13/59/85/605135985.db2.gz SCVNAZIKAJSTDU-SECBINFHSA-N -1 0 330.306 3.810 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCCN2C(=O)c1ccnc(C(=O)[O-])c1 ZINC000833448906 605136785 /nfs/dbraw/zinc/13/67/85/605136785.db2.gz AXKUGTGZOLFFCC-UHFFFAOYSA-N -1 0 338.407 3.670 20 0 EHADRM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cccc2ccccc21 ZINC000832234958 605144156 /nfs/dbraw/zinc/14/41/56/605144156.db2.gz QEHTZZSVPOEJER-MQVJKMGUSA-N -1 0 338.407 3.633 20 0 EHADRM C[C@H]1CC[C@H](C(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)(F)F)C1 ZINC000833601212 605147152 /nfs/dbraw/zinc/14/71/52/605147152.db2.gz KGLOYOTVTFJSNX-UWVGGRQHSA-N -1 0 345.317 3.701 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2ccc(Oc3ccccc3)nc2)CC1 ZINC000833772054 605149824 /nfs/dbraw/zinc/14/98/24/605149824.db2.gz DIVWJILHYJUAHL-UHFFFAOYSA-N -1 0 340.379 3.703 20 0 EHADRM Cc1ccccc1-c1nnc(S[C@@H](CC(C)(C)C)C(=O)[O-])n1C ZINC000833753096 605150824 /nfs/dbraw/zinc/15/08/24/605150824.db2.gz KHUZIXLFLNRSOR-ZDUSSCGKSA-N -1 0 333.457 3.772 20 0 EHADRM CCOc1ccc(CCC(=O)Nc2scc(C(=O)[O-])c2C)cc1 ZINC000833663757 605159302 /nfs/dbraw/zinc/15/93/02/605159302.db2.gz GJDXBPQHKBHTFE-UHFFFAOYSA-N -1 0 333.409 3.725 20 0 EHADRM CC(C)[C@H](Sc1ccccc1)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000833472985 605167010 /nfs/dbraw/zinc/16/70/10/605167010.db2.gz YBUSTDMVUGNVTQ-HNNXBMFYSA-N -1 0 330.409 3.535 20 0 EHADRM CC1=C(C(=O)[O-])[C@@H](c2cc(Cl)ccc2Cl)NC(=O)N1C1CC1 ZINC000833575462 605167562 /nfs/dbraw/zinc/16/75/62/605167562.db2.gz CTNUXJFDQQCOLJ-CYBMUJFWSA-N -1 0 341.194 3.581 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)N(c2ccccn2)C2CCCC2)cc1 ZINC000832840860 605168626 /nfs/dbraw/zinc/16/86/26/605168626.db2.gz MIWLETGLTVFZOO-UHFFFAOYSA-N -1 0 339.395 3.690 20 0 EHADRM CC[C@H](C)Oc1cc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)ccn1 ZINC000191020402 605211787 /nfs/dbraw/zinc/21/17/87/605211787.db2.gz GKMWIGBAJMRTOS-ZDUSSCGKSA-N -1 0 342.395 3.528 20 0 EHADRM CC1=C(C(=O)[O-])C[C@@H](CSc2nnc(Nc3ccccc3)s2)O1 ZINC000833581652 605233939 /nfs/dbraw/zinc/23/39/39/605233939.db2.gz PKPFSODZHQMPLR-NSHDSACASA-N -1 0 349.437 3.521 20 0 EHADRM C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4ccc(C(=O)[O-])nc4)cc3c2C1 ZINC000833616991 605250594 /nfs/dbraw/zinc/25/05/94/605250594.db2.gz LQJNZEVUPMEPJJ-NSHDSACASA-N -1 0 349.390 3.638 20 0 EHADRM Cc1ccc(NCC2CCN(C(=O)[O-])CC2)cc1NC(=O)C(C)(C)C ZINC000830395874 605255968 /nfs/dbraw/zinc/25/59/68/605255968.db2.gz MKDRPHRQGJUSIE-UHFFFAOYSA-N -1 0 347.459 3.782 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000833452924 605258709 /nfs/dbraw/zinc/25/87/09/605258709.db2.gz YPKVBVRENKLKCX-UHFFFAOYSA-N -1 0 343.345 3.702 20 0 EHADRM CCOc1ccc(CCC(=O)Nc2ccc(NC(=O)[O-])c(F)c2)cc1 ZINC000833664721 605275484 /nfs/dbraw/zinc/27/54/84/605275484.db2.gz YBRCTRVATNIOMV-UHFFFAOYSA-N -1 0 346.358 3.886 20 0 EHADRM C[C@H](c1ccccn1)N(C)C(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833548885 605281828 /nfs/dbraw/zinc/28/18/28/605281828.db2.gz HTQJTQIJSAGHMU-SNVBAGLBSA-N -1 0 332.335 3.536 20 0 EHADRM C[C@@H](c1cc(F)ccc1F)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000833546549 605293996 /nfs/dbraw/zinc/29/39/96/605293996.db2.gz IZUOSSOXSXKXTH-LBPRGKRZSA-N -1 0 335.350 3.621 20 0 EHADRM CC(C)(C)OC(=O)N1CCC[C@H](Nc2cccc(C(=O)[O-])c2)CC1 ZINC000309995699 605300942 /nfs/dbraw/zinc/30/09/42/605300942.db2.gz VQQNKJGGZYMYKS-AWEZNQCLSA-N -1 0 334.416 3.586 20 0 EHADRM C[C@@H](C(=O)OCc1ccc(NC(=O)[O-])cc1)c1c(F)cccc1F ZINC000833410034 605303472 /nfs/dbraw/zinc/30/34/72/605303472.db2.gz UGHPHDYHJZPLLK-SNVBAGLBSA-N -1 0 335.306 3.902 20 0 EHADRM CC(C)Oc1ccccc1C(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833507332 605304051 /nfs/dbraw/zinc/30/40/51/605304051.db2.gz FSMNVBPNAKDRQX-UHFFFAOYSA-N -1 0 332.331 3.955 20 0 EHADRM CC[C@H]1CN(C(=O)c2ccc(Cl)cc2Cl)CC[C@H]1NC(=O)[O-] ZINC000833850841 605340445 /nfs/dbraw/zinc/34/04/45/605340445.db2.gz KNZJNMCRRQGPOG-TVQRCGJNSA-N -1 0 345.226 3.502 20 0 EHADRM CC[C@H]1CN(C(=O)CCCCc2ccc(C)cc2)CC[C@@H]1NC(=O)[O-] ZINC000833851001 605341122 /nfs/dbraw/zinc/34/11/22/605341122.db2.gz YJSIBINJDYGNGZ-ROUUACIJSA-N -1 0 346.471 3.603 20 0 EHADRM C[C@@H]1CCC[C@@H]1C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000833607673 605350437 /nfs/dbraw/zinc/35/04/37/605350437.db2.gz FOVRMXMYNPKJKX-SFYZADRCSA-N -1 0 344.180 3.661 20 0 EHADRM CC(C)CCn1ccc(N[C@H](C(=O)[O-])c2c(F)cccc2Cl)n1 ZINC000833485488 605360673 /nfs/dbraw/zinc/36/06/73/605360673.db2.gz VDCAKBHQKLXZBT-HNNXBMFYSA-N -1 0 339.798 3.960 20 0 EHADRM CCn1c2ccc(F)cc2nc1NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000833684217 605370446 /nfs/dbraw/zinc/37/04/46/605370446.db2.gz SXWRKQKJTOYSKN-UHFFFAOYSA-N -1 0 342.330 3.538 20 0 EHADRM Cc1ccc(C[C@@H](C)C(=O)Nc2ccc(OCC(=O)[O-])cc2C)cc1 ZINC000192880409 605436726 /nfs/dbraw/zinc/43/67/26/605436726.db2.gz MACVEQDJROEUNL-OAHLLOKOSA-N -1 0 341.407 3.584 20 0 EHADRM CN(C(=O)c1cc2ccccc2s1)c1ccc(OCC(=O)[O-])cc1 ZINC000833685786 605461281 /nfs/dbraw/zinc/46/12/81/605461281.db2.gz HTPHOXCFRYZHEH-UHFFFAOYSA-N -1 0 341.388 3.641 20 0 EHADRM C[C@@H](CSCc1ccccc1)c1nc([C@@H](C)CN(C)C(=O)[O-])no1 ZINC000824902481 605475754 /nfs/dbraw/zinc/47/57/54/605475754.db2.gz MNOASPKFHWPWJT-STQMWFEESA-N -1 0 349.456 3.820 20 0 EHADRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1c1nc(-c2ccc(F)cc2)cs1 ZINC000825844772 605484645 /nfs/dbraw/zinc/48/46/45/605484645.db2.gz LOEVPKXNTVVBAS-ZWNOBZJWSA-N -1 0 335.404 3.574 20 0 EHADRM CC(C)OCCCC(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833503953 605488261 /nfs/dbraw/zinc/48/82/61/605488261.db2.gz VVHMOWRBAIGWBT-CQSZACIVSA-N -1 0 349.210 3.868 20 0 EHADRM CCc1nc(NC(=O)[C@H](C)Cc2ccc(C)cc2)sc1C(=O)[O-] ZINC000833674668 605500774 /nfs/dbraw/zinc/50/07/74/605500774.db2.gz STFHEZXVXHUSLI-LLVKDONJSA-N -1 0 332.425 3.529 20 0 EHADRM CC(C)CCO[C@H](C)C(=O)O[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833483350 605506244 /nfs/dbraw/zinc/50/62/44/605506244.db2.gz ISQYGPMJFRDQCF-YGRLFVJLSA-N -1 0 346.782 3.599 20 0 EHADRM Cc1nc([C@H](C)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)c(C)s1 ZINC000830710161 605513279 /nfs/dbraw/zinc/51/32/79/605513279.db2.gz ZQFIDGGLIPOVCA-MNOVXSKESA-N -1 0 333.457 3.939 20 0 EHADRM CC(C)c1ncc(C(=O)Nc2cccc(CN(C)C(=O)[O-])c2)s1 ZINC000824495330 605526254 /nfs/dbraw/zinc/52/62/54/605526254.db2.gz NAXAHIOEHRXUMH-UHFFFAOYSA-N -1 0 333.413 3.629 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CC=C(c2cccc3ccccc32)C1 ZINC000833450978 605573410 /nfs/dbraw/zinc/57/34/10/605573410.db2.gz HESGUSPFNORZTO-UHFFFAOYSA-N -1 0 337.419 3.956 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(N(C)C)cc2C)ccc1NC(=O)[O-] ZINC000829966238 605620403 /nfs/dbraw/zinc/62/04/03/605620403.db2.gz VGMXTTKOEQGGKC-UHFFFAOYSA-N -1 0 327.384 3.712 20 0 EHADRM Cc1cc(C(=O)N2CCC(OCCC(C)C)CC2)ccc1NC(=O)[O-] ZINC000829925151 605625824 /nfs/dbraw/zinc/62/58/24/605625824.db2.gz POSKJYUGFMYIQE-UHFFFAOYSA-N -1 0 348.443 3.752 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)cn1 ZINC000824463639 605663983 /nfs/dbraw/zinc/66/39/83/605663983.db2.gz MPGOVFIUMAEDRP-GFCCVEGCSA-N -1 0 327.384 3.786 20 0 EHADRM CC(C)Oc1ccc(F)cc1NC(=O)CN(C(=O)[O-])c1ccccc1 ZINC000824411846 605692015 /nfs/dbraw/zinc/69/20/15/605692015.db2.gz PQPPZNSOFQBYNK-UHFFFAOYSA-N -1 0 346.358 3.736 20 0 EHADRM CC(C)c1ccc(C(=O)N2CCCN(C(=O)[O-])c3ccccc32)cn1 ZINC000824464725 605698587 /nfs/dbraw/zinc/69/85/87/605698587.db2.gz VJWFAEWWWSAJEP-UHFFFAOYSA-N -1 0 339.395 3.740 20 0 EHADRM Cc1cc(C(=O)N(CC2CCC2)CC(F)(F)F)ccc1NC(=O)[O-] ZINC000829914328 605707586 /nfs/dbraw/zinc/70/75/86/605707586.db2.gz GKVQKMYJWHYBJE-UHFFFAOYSA-N -1 0 344.333 3.890 20 0 EHADRM Cc1cc(C(=O)NCc2ccnc3ccccc23)ccc1NC(=O)[O-] ZINC000829956325 605708345 /nfs/dbraw/zinc/70/83/45/605708345.db2.gz FHAJORJGZJUESM-UHFFFAOYSA-N -1 0 335.363 3.563 20 0 EHADRM CC1(OCC(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CCC1 ZINC000833572088 605715240 /nfs/dbraw/zinc/71/52/40/605715240.db2.gz NXTNHHUSICSERZ-ZDUSSCGKSA-N -1 0 347.194 3.622 20 0 EHADRM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000833604088 605715843 /nfs/dbraw/zinc/71/58/43/605715843.db2.gz CVQJGTFKUFXWEP-DTWKUNHWSA-N -1 0 348.296 3.719 20 0 EHADRM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000833605915 605715906 /nfs/dbraw/zinc/71/59/06/605715906.db2.gz MRDQZYOEIGNWDU-BDAKNGLRSA-N -1 0 348.296 3.719 20 0 EHADRM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccsc1C(=O)[O-] ZINC000833606499 605716001 /nfs/dbraw/zinc/71/60/01/605716001.db2.gz QJPZPHWQSBVCCC-YUMQZZPRSA-N -1 0 336.335 3.641 20 0 EHADRM Cc1c(C(=O)N2CC[C@@H](NC(=O)[O-])C[C@@H]2C)oc2c1c(C)ccc2C ZINC000830274253 605723960 /nfs/dbraw/zinc/72/39/60/605723960.db2.gz GWIOFORKTGRZPE-GXTWGEPZSA-N -1 0 344.411 3.619 20 0 EHADRM C[C@H](C(=O)N1CC[C@@H](NC(=O)[O-])C[C@@H]1C)c1ccc2ccccc2c1 ZINC000823662075 605753493 /nfs/dbraw/zinc/75/34/93/605753493.db2.gz MFKKCFLAICYLSP-SUNYJGFJSA-N -1 0 340.423 3.590 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)Nc2ncccc2-c2ccccc2)C1 ZINC000834167918 605762484 /nfs/dbraw/zinc/76/24/84/605762484.db2.gz DTAKTUGOORUXIV-CABCVRRESA-N -1 0 339.395 3.514 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)Nc2ncccc2-c2ccccc2)C1 ZINC000834167920 605762675 /nfs/dbraw/zinc/76/26/75/605762675.db2.gz DTAKTUGOORUXIV-HUUCEWRRSA-N -1 0 339.395 3.514 20 0 EHADRM CCc1noc([C@@H](C)SCc2cc(C(=O)[O-])ccc2Cl)n1 ZINC000833678220 605788793 /nfs/dbraw/zinc/78/87/93/605788793.db2.gz BFZMZFTUDFTYEG-MRVPVSSYSA-N -1 0 326.805 3.978 20 0 EHADRM C[C@H](CCC(=O)N(C1CC1)C1CCN(C(=O)[O-])CC1)c1ccccc1 ZINC000833802837 605789813 /nfs/dbraw/zinc/78/98/13/605789813.db2.gz FEYYPIYTJSCWQU-OAHLLOKOSA-N -1 0 344.455 3.704 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)Oc2ccc(CC(=O)[O-])cc2F)cc1 ZINC000833748993 605797517 /nfs/dbraw/zinc/79/75/17/605797517.db2.gz YDHUUPFAMFFZPR-ZDUSSCGKSA-N -1 0 330.355 3.545 20 0 EHADRM CCc1ccc(CCC(=O)Oc2ccc(CC(=O)[O-])cc2F)cc1 ZINC000833670007 605799439 /nfs/dbraw/zinc/79/94/39/605799439.db2.gz KJSFBWXIUHIPGV-UHFFFAOYSA-N -1 0 330.355 3.553 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)C2(c3ccc(F)cc3)CCC2)c(F)c1 ZINC000833775203 605801773 /nfs/dbraw/zinc/80/17/73/605801773.db2.gz BXNQBKJDMCLTLX-UHFFFAOYSA-N -1 0 346.329 3.619 20 0 EHADRM CCCN(C(=O)c1ccc(C)c(Cl)c1)C1CCN(C(=O)[O-])CC1 ZINC000826884643 605820898 /nfs/dbraw/zinc/82/08/98/605820898.db2.gz RTWUZNDHYYVHNH-UHFFFAOYSA-N -1 0 338.835 3.643 20 0 EHADRM C[C@H](C(=O)Nc1cc(NC(=O)[O-])ccc1F)c1c(F)cccc1F ZINC000833791016 605922770 /nfs/dbraw/zinc/92/27/70/605922770.db2.gz SBKANWZWJXPXHJ-QMMMGPOBSA-N -1 0 338.285 3.936 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N2CC[C@@H]2Cc2ccccc2)c1 ZINC000834262744 605929510 /nfs/dbraw/zinc/92/95/10/605929510.db2.gz XUWXUCSPRCJFIG-CQSZACIVSA-N -1 0 343.358 3.765 20 0 EHADRM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2Cc1csc(-c2cccs2)n1 ZINC000834094200 605963945 /nfs/dbraw/zinc/96/39/45/605963945.db2.gz AMMMQFLHLIERNS-OLZOCXBDSA-N -1 0 349.481 3.588 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCCSC(C)(C)C ZINC000833907007 606011470 /nfs/dbraw/zinc/01/14/70/606011470.db2.gz VUYKLLIHGARVKW-UHFFFAOYSA-N -1 0 325.434 3.738 20 0 EHADRM O=C([O-])Nc1cnc(C(=O)N2CCC[C@@H]2CCC2CCCCC2)cn1 ZINC000834276313 606035819 /nfs/dbraw/zinc/03/58/19/606035819.db2.gz PTRYCTJZWGDQME-CQSZACIVSA-N -1 0 346.431 3.532 20 0 EHADRM O=C([O-])N1CCCc2cccc(OC[C@H](O)c3ccc(F)cc3F)c21 ZINC000834117558 606037050 /nfs/dbraw/zinc/03/70/50/606037050.db2.gz ZYHCWXLEMSGUEU-HNNXBMFYSA-N -1 0 349.333 3.508 20 0 EHADRM O=C([O-])Nc1cccc(OC[C@H](O)c2ccc(C(F)(F)F)cc2)c1 ZINC000834268706 606039954 /nfs/dbraw/zinc/03/99/54/606039954.db2.gz UZNDZEWVSVIULN-AWEZNQCLSA-N -1 0 341.285 3.908 20 0 EHADRM O=C([O-])C1(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2)CCCC1 ZINC000037419490 939031158 /nfs/dbraw/zinc/03/11/58/939031158.db2.gz ZQNLVDKTCQPSSS-ONEGZZNKSA-N -1 0 328.195 3.520 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CCc1ccsc1)c1ccc2ccccc2c1 ZINC000191471881 939036874 /nfs/dbraw/zinc/03/68/74/939036874.db2.gz QGGDSOJUMXTNLB-SFHVURJKSA-N -1 0 339.416 3.776 20 0 EHADRM O=C([O-])[C@@H](NC(=O)C1CCC(F)(F)CC1)c1ccc2ccccc2c1 ZINC000191492474 939039128 /nfs/dbraw/zinc/03/91/28/939039128.db2.gz BSNWBLIVFKAZPP-INIZCTEOSA-N -1 0 347.361 3.907 20 0 EHADRM CC(C)c1ccc(-c2nc(C(=O)NC3(C(=O)[O-])CCC3)cs2)cc1 ZINC000236850919 939045141 /nfs/dbraw/zinc/04/51/41/939045141.db2.gz SNXZBEMZEHSIOC-UHFFFAOYSA-N -1 0 344.436 3.671 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000237355011 939046480 /nfs/dbraw/zinc/04/64/80/939046480.db2.gz OKVSZTPIFSKQKA-ABAIWWIYSA-N -1 0 349.839 3.763 20 0 EHADRM Cn1c2ccccc2c(Cl)c1C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000237716114 939048953 /nfs/dbraw/zinc/04/89/53/939048953.db2.gz MNKOXGQZWDKLIK-UHFFFAOYSA-N -1 0 348.830 3.739 20 0 EHADRM O=C(/C=C\c1ccccc1)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000762206146 939071507 /nfs/dbraw/zinc/07/15/07/939071507.db2.gz LDBZQOOBQCXEBR-IMTHGLKYSA-N -1 0 331.371 3.795 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC000263136759 939103044 /nfs/dbraw/zinc/10/30/44/939103044.db2.gz TXKPNNGLAADRRB-PMPSAXMXSA-N -1 0 343.448 3.719 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1cc(F)cc(Cl)c1)C1CCCCC1 ZINC000318015781 939122746 /nfs/dbraw/zinc/12/27/46/939122746.db2.gz SODDLEFAVYJZCY-ZDUSSCGKSA-N -1 0 328.771 3.634 20 0 EHADRM CCOc1ccc(NC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)c(C)c1 ZINC000780456436 939123989 /nfs/dbraw/zinc/12/39/89/939123989.db2.gz RMLURHISZVKDLA-MRXNPFEDSA-N -1 0 334.416 3.549 20 0 EHADRM Cc1ccc(SCCC(=O)N[C@@H](C(=O)[O-])c2cccs2)cc1C ZINC000322912240 939124716 /nfs/dbraw/zinc/12/47/16/939124716.db2.gz JSGXXKDSZIJRRN-MRXNPFEDSA-N -1 0 349.477 3.789 20 0 EHADRM Cc1cc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)c(C)n1C1CC1 ZINC000345766460 939128487 /nfs/dbraw/zinc/12/84/87/939128487.db2.gz BCSSCBRYKSCPEE-INIZCTEOSA-N -1 0 346.814 3.649 20 0 EHADRM O=C([O-])C1(NC(=O)CCc2cc3ccccc3o2)CCCCCC1 ZINC000347712210 939129257 /nfs/dbraw/zinc/12/92/57/939129257.db2.gz DRINQRWXFOLLGA-UHFFFAOYSA-N -1 0 329.396 3.659 20 0 EHADRM C[C@@](NC(=O)c1ccc(Cl)c(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC000385814238 939132862 /nfs/dbraw/zinc/13/28/62/939132862.db2.gz SJISZVFPXKWERN-INIZCTEOSA-N -1 0 338.190 3.723 20 0 EHADRM C[C@@H](NC(=O)N[C@](C)(C(=O)[O-])C1CC1)c1csc2ccccc21 ZINC000780564935 939133389 /nfs/dbraw/zinc/13/33/89/939133389.db2.gz GLRIPEUUEQVUKP-QGHHPUGFSA-N -1 0 332.425 3.515 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2nc3ccccc3s2)CCCCCC1 ZINC000390672987 939135857 /nfs/dbraw/zinc/13/58/57/939135857.db2.gz QRCNVHDJPYOBJL-UHFFFAOYSA-N -1 0 333.413 3.595 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2ccccc2[nH]1)c1ccc2ccccc2c1 ZINC000431854202 939162498 /nfs/dbraw/zinc/16/24/98/939162498.db2.gz MWYFCMKWYCJPCD-IBGZPJMESA-N -1 0 344.370 3.877 20 0 EHADRM O=C([O-])C1(NC(=O)Cc2csc3ccccc23)CCCCCC1 ZINC000431970425 939170301 /nfs/dbraw/zinc/17/03/01/939170301.db2.gz CFGFSGOTKVOXMH-UHFFFAOYSA-N -1 0 331.437 3.738 20 0 EHADRM C[C@@H](C(=O)NC1(C(=O)[O-])CCCCCC1)c1cc2ccccc2o1 ZINC000431977864 939170357 /nfs/dbraw/zinc/17/03/57/939170357.db2.gz QOEMBQKDHCJEMV-CYBMUJFWSA-N -1 0 329.396 3.830 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cccc2c1CCC2)c1ccc(Cl)c(F)c1 ZINC000439915925 939203491 /nfs/dbraw/zinc/20/34/91/939203491.db2.gz YSPCXZDKTWJEJM-INIZCTEOSA-N -1 0 347.773 3.524 20 0 EHADRM CCCC[C@@H](CC)C(=O)N[C@@H](C(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000447892324 939204490 /nfs/dbraw/zinc/20/44/90/939204490.db2.gz GWUFPCZKUAJQBM-BXUZGUMPSA-N -1 0 343.370 3.746 20 0 EHADRM CC[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000447897787 939204613 /nfs/dbraw/zinc/20/46/13/939204613.db2.gz PCTXFHALWKATOE-CJNGLKHVSA-N -1 0 349.789 3.915 20 0 EHADRM CC[C@@H](CC(=O)N[C@H](C(=O)[O-])c1cccs1)c1ccc(C)cc1 ZINC000448992839 939205518 /nfs/dbraw/zinc/20/55/18/939205518.db2.gz MHIRYBOMOFBSLK-GUYCJALGSA-N -1 0 331.437 3.882 20 0 EHADRM CC[C@@](NC(=O)Cc1ccc(C)cc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507308063 939232737 /nfs/dbraw/zinc/23/27/37/939232737.db2.gz BGVKTTNBHPQDLG-IBGZPJMESA-N -1 0 345.826 3.697 20 0 EHADRM Cc1cc(C)cc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)c1 ZINC000515030860 939239419 /nfs/dbraw/zinc/23/94/19/939239419.db2.gz DIMZPLJETZDGBL-MRXNPFEDSA-N -1 0 330.359 3.698 20 0 EHADRM CC[C@@](NC(=O)Nc1ccc(C)c(C)c1)(C(=O)[O-])c1ccccc1 ZINC000515454990 939241448 /nfs/dbraw/zinc/24/14/48/939241448.db2.gz IAIJWSYOXZEFHR-IBGZPJMESA-N -1 0 326.396 3.815 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1cccc(C(F)F)c1)c1ccsc1 ZINC000516617578 939245026 /nfs/dbraw/zinc/24/50/26/939245026.db2.gz NUDPLEDUCUXBFG-LLVKDONJSA-N -1 0 326.324 3.633 20 0 EHADRM COc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2C)c(C)c1 ZINC000900327825 939274842 /nfs/dbraw/zinc/27/48/42/939274842.db2.gz BEMGXOHYFDPNNV-QGZVFWFLSA-N -1 0 342.395 3.568 20 0 EHADRM COc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(C)c(C)c2)c1C ZINC000900330063 939275059 /nfs/dbraw/zinc/27/50/59/939275059.db2.gz GJPXFDQRWPTHNK-KRWDZBQOSA-N -1 0 342.395 3.568 20 0 EHADRM CCOCc1ccc(NC(=O)NC2(C(=O)[O-])CCC(CC)CC2)cc1 ZINC000567552501 939363057 /nfs/dbraw/zinc/36/30/57/939363057.db2.gz ZTNOPJIWRGASCT-UHFFFAOYSA-N -1 0 348.443 3.768 20 0 EHADRM O=C([O-])[C@@H](NC(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1cccs1 ZINC000568584782 939368350 /nfs/dbraw/zinc/36/83/50/939368350.db2.gz QHHPFIKFPIFXKX-XPCVCDNBSA-N -1 0 336.457 3.532 20 0 EHADRM COc1ccc([C@H](NC(=O)Nc2cccc(C(C)C)c2)C(=O)[O-])cc1 ZINC000573280200 939406646 /nfs/dbraw/zinc/40/66/46/939406646.db2.gz AJZUJPWUEPEDTJ-KRWDZBQOSA-N -1 0 342.395 3.766 20 0 EHADRM C[C@](NC(=O)Nc1cccc(CCC(F)(F)F)c1)(C(=O)[O-])C1CC1 ZINC000574186941 939724520 /nfs/dbraw/zinc/72/45/20/939724520.db2.gz LHQUNYIIBUXECH-OAHLLOKOSA-N -1 0 344.333 3.556 20 0 EHADRM CC(C)(CCC(=O)N[C@H](C(=O)[O-])c1ccsc1)c1ccccc1 ZINC000579496004 939762958 /nfs/dbraw/zinc/76/29/58/939762958.db2.gz UFBLDNYDQDDTCS-INIZCTEOSA-N -1 0 331.437 3.748 20 0 EHADRM O=C([O-])[C@@H](NC(=O)C[C@@H]1CCCc2ccccc21)c1ccsc1 ZINC000581381617 939777456 /nfs/dbraw/zinc/77/74/56/939777456.db2.gz PHIWDFMZGJDAJT-GUYCJALGSA-N -1 0 329.421 3.500 20 0 EHADRM Cc1cc(C(F)F)oc1C(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC000630247184 939819814 /nfs/dbraw/zinc/81/98/14/939819814.db2.gz FFCKDVWWGQYKEV-INIZCTEOSA-N -1 0 329.343 3.679 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1ccc2nc(C3CC3)oc2c1)C1CCCC1 ZINC000656851940 939847256 /nfs/dbraw/zinc/84/72/56/939847256.db2.gz IXZOXDSZNFGWDC-OAHLLOKOSA-N -1 0 328.368 3.535 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CCCC2(CC2)C1)c1ccc(Cl)c(F)c1 ZINC000659140506 939847756 /nfs/dbraw/zinc/84/77/56/939847756.db2.gz PTICDYMQFISRLE-RISCZKNCSA-N -1 0 339.794 3.691 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000675983185 939866271 /nfs/dbraw/zinc/86/62/71/939866271.db2.gz YVFDXZNORGQKPU-HXUWFJFHSA-N -1 0 337.375 3.779 20 0 EHADRM Cc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c(C)s1 ZINC000678990826 939869689 /nfs/dbraw/zinc/86/96/89/939869689.db2.gz PADHOIFOXIZTSN-CYBMUJFWSA-N -1 0 341.791 3.713 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000683307200 939870248 /nfs/dbraw/zinc/87/02/48/939870248.db2.gz IMOKHRZUESSRRP-YJYMSZOUSA-N -1 0 345.826 3.635 20 0 EHADRM CC(C)c1ccccc1NC(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC000683921281 939871184 /nfs/dbraw/zinc/87/11/84/939871184.db2.gz RMBXBBOJKJJCNT-MRXNPFEDSA-N -1 0 330.359 3.897 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1F ZINC000683922937 939871260 /nfs/dbraw/zinc/87/12/60/939871260.db2.gz YZTMPLDQXSYJDT-ZDUSSCGKSA-N -1 0 340.713 3.566 20 0 EHADRM Cc1ccc(SCCC(=O)NCC2(C(=O)[O-])CCCCC2)cc1 ZINC000321558347 970782235 /nfs/dbraw/zinc/78/22/35/970782235.db2.gz KRYWMHAFEZNKAG-UHFFFAOYSA-N -1 0 335.469 3.629 20 0 EHADRM Cc1cc(NC(=O)c2cc3c(cc2O)CCCC3)ccc1C(=O)[O-] ZINC001600274196 970791787 /nfs/dbraw/zinc/79/17/87/970791787.db2.gz CBSUVQSBDIWKRM-UHFFFAOYSA-N -1 0 325.364 3.530 20 0 EHADRM O=C([O-])[C@H]1CCCCCN1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000321686334 970796668 /nfs/dbraw/zinc/79/66/68/970796668.db2.gz XXMWOPJNYRXYNA-OAHLLOKOSA-N -1 0 334.803 3.824 20 0 EHADRM Cc1ccc(Cl)c2ccc(NC(=O)N3CCC(C(=O)[O-])CC3)nc12 ZINC001600424485 970807493 /nfs/dbraw/zinc/80/74/93/970807493.db2.gz FEIJKLZLWGNIQF-UHFFFAOYSA-N -1 0 347.802 3.525 20 0 EHADRM Cc1ccc(SC[C@H](C)NC(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC001600484565 970813908 /nfs/dbraw/zinc/81/39/08/970813908.db2.gz NXYUTHJALFFHKT-ZDUSSCGKSA-N -1 0 329.421 3.604 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1c1nc(-c2cnc3ccsc3c2)no1 ZINC000321865759 970818623 /nfs/dbraw/zinc/81/86/23/970818623.db2.gz ZEPFNLDSOYSHNT-WDEREUQCSA-N -1 0 329.381 3.705 20 0 EHADRM O=C([O-])C1(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCC1 ZINC000322103256 970847008 /nfs/dbraw/zinc/84/70/08/970847008.db2.gz SRJPSOSBUFVTFZ-UHFFFAOYSA-N -1 0 332.278 3.671 20 0 EHADRM Cc1c(C(=O)N2CC[C@@H](C)C[C@H]2C(=O)[O-])sc2cccc(F)c12 ZINC000322573416 970905177 /nfs/dbraw/zinc/90/51/77/970905177.db2.gz HHCGGLNIFRXSSI-SKDRFNHKSA-N -1 0 335.400 3.674 20 0 EHADRM Cc1cccc(CN(C)c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC000323515444 971012096 /nfs/dbraw/zinc/01/20/96/971012096.db2.gz IXNLUTSNEKMSMF-UHFFFAOYSA-N -1 0 334.759 3.891 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)N[C@@H]2CCc3ccc(Cl)cc32)c1 ZINC001601542369 971013070 /nfs/dbraw/zinc/01/30/70/971013070.db2.gz XGRBYOFJSSGFRA-MRXNPFEDSA-N -1 0 344.798 3.525 20 0 EHADRM CCC(CC)(C(=O)[O-])c1csc(Nc2ccc3c(c2)OCO3)n1 ZINC000323603917 971021265 /nfs/dbraw/zinc/02/12/65/971021265.db2.gz JJYFLLYYZGIRPH-UHFFFAOYSA-N -1 0 334.397 3.758 20 0 EHADRM CC[C@@H]1CC[C@@H](C)N(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C1 ZINC000323638523 971025174 /nfs/dbraw/zinc/02/51/74/971025174.db2.gz RBMREWPIOPXVAF-NXEZZACHSA-N -1 0 326.343 3.705 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)[C@H]1CCCc2sccc21 ZINC000323952243 971065208 /nfs/dbraw/zinc/06/52/08/971065208.db2.gz XHLWHQADKIAZID-GJZGRUSLSA-N -1 0 335.469 3.708 20 0 EHADRM Cc1oc(CNC(=O)Nc2cc(C)c(F)cc2Cl)cc1C(=O)[O-] ZINC000324086232 971082831 /nfs/dbraw/zinc/08/28/31/971082831.db2.gz ZVGINHKWPHLHQE-UHFFFAOYSA-N -1 0 340.738 3.709 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)c1cnc2ccccc2c1O ZINC000324131306 971087091 /nfs/dbraw/zinc/08/70/91/971087091.db2.gz SCFINJQZBRNCNO-UHFFFAOYSA-N -1 0 342.738 3.544 20 0 EHADRM CCCc1sc(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc1CC ZINC000324483111 971124693 /nfs/dbraw/zinc/12/46/93/971124693.db2.gz JKTZXYRDTCNLAL-IBGZPJMESA-N -1 0 345.464 3.993 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)CCc2ccc(F)cc2F)c1 ZINC001602043718 971128925 /nfs/dbraw/zinc/12/89/25/971128925.db2.gz RRCJNILKFQHPOY-UHFFFAOYSA-N -1 0 333.334 3.553 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)Nc2cccc3c2CCCC3)C1 ZINC000324636720 971142247 /nfs/dbraw/zinc/14/22/47/971142247.db2.gz WCYBVENBENJTOX-AWEZNQCLSA-N -1 0 330.428 3.674 20 0 EHADRM C[C@@H](NC(=O)NCCc1ccccc1C(=O)[O-])c1ccc(Cl)cc1 ZINC000324934952 971170792 /nfs/dbraw/zinc/17/07/92/971170792.db2.gz OPAXLSDTPKXBTD-GFCCVEGCSA-N -1 0 346.814 3.641 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)N1CCCc2ccccc2C1 ZINC000325022166 971176703 /nfs/dbraw/zinc/17/67/03/971176703.db2.gz IWVQLENFHJQQCL-UHFFFAOYSA-N -1 0 328.343 3.504 20 0 EHADRM O=C([O-])c1ccccc1CCNC(=O)c1cc2ccc(F)cc2s1 ZINC000325184643 971192437 /nfs/dbraw/zinc/19/24/37/971192437.db2.gz DWWHZMCJBPXVRA-UHFFFAOYSA-N -1 0 343.379 3.711 20 0 EHADRM O=C([O-])c1ccc(COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000325231767 971196158 /nfs/dbraw/zinc/19/61/58/971196158.db2.gz FFDQEGWBYCAFFR-UHFFFAOYSA-N -1 0 341.241 3.891 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000325253399 971198516 /nfs/dbraw/zinc/19/85/16/971198516.db2.gz HXWNJOYKEUDIOS-HNNXBMFYSA-N -1 0 330.428 3.530 20 0 EHADRM CCC1CCC(CNC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)CC1 ZINC000325282521 971200811 /nfs/dbraw/zinc/20/08/11/971200811.db2.gz PBXXDVPLEJRHHZ-UYSNPLJNSA-N -1 0 338.492 3.735 20 0 EHADRM Cc1ccc(F)c(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)c1F ZINC000325363774 971207644 /nfs/dbraw/zinc/20/76/44/971207644.db2.gz NPWCDTRXVOIPJT-CQSZACIVSA-N -1 0 333.334 3.609 20 0 EHADRM Cc1c2ccccc2oc1C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000325418855 971213865 /nfs/dbraw/zinc/21/38/65/971213865.db2.gz HLNNFPFBHFEZRQ-UHFFFAOYSA-N -1 0 331.274 3.970 20 0 EHADRM O=C([O-])[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)c2ccccc21 ZINC000325430979 971214932 /nfs/dbraw/zinc/21/49/32/971214932.db2.gz ZOVVGJZLPSNLDO-CQSZACIVSA-N -1 0 346.770 3.827 20 0 EHADRM O=C([O-])[C@@H]1CCN(Cc2coc(-c3cccs3)n2)c2ccccc21 ZINC000325523565 971222557 /nfs/dbraw/zinc/22/25/57/971222557.db2.gz QCQLHJOAWKAYDU-CQSZACIVSA-N -1 0 340.404 3.982 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)N2CC[C@H]3CCCC[C@@H]3C2)cc1F ZINC000325538851 971224969 /nfs/dbraw/zinc/22/49/69/971224969.db2.gz GORPFEVCEXOFEG-GHMZBOCLSA-N -1 0 338.354 3.707 20 0 EHADRM O=C([O-])c1ccc(C(=O)O[C@@H]2CCCc3ccc(Cl)cc32)cn1 ZINC001602619259 971225279 /nfs/dbraw/zinc/22/52/79/971225279.db2.gz QIZCQRCMAAHNRB-OAHLLOKOSA-N -1 0 331.755 3.668 20 0 EHADRM O=C([O-])[C@H]1CCN(Cc2cc(-c3cccs3)on2)c2ccccc21 ZINC000325871851 971250944 /nfs/dbraw/zinc/25/09/44/971250944.db2.gz LKTZAKDGDSORQM-AWEZNQCLSA-N -1 0 340.404 3.982 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)N[C@@H]1CCCc3sccc31)C2 ZINC000326094975 971267366 /nfs/dbraw/zinc/26/73/66/971267366.db2.gz BDEXBZFFEIDVHJ-OAHLLOKOSA-N -1 0 342.420 3.549 20 0 EHADRM CC1(C)CC(NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)CC(C)(C)C1 ZINC000326161086 971271709 /nfs/dbraw/zinc/27/17/09/971271709.db2.gz ANLJLBRGOQPGBX-AWEZNQCLSA-N -1 0 338.492 3.878 20 0 EHADRM CCO[C@@H](c1noc([C@H]2CCC[C@@H](C(=O)[O-])C2)n1)c1ccccc1 ZINC000326507083 971299205 /nfs/dbraw/zinc/29/92/05/971299205.db2.gz JPJTWYQUNVERIS-RRFJBIMHSA-N -1 0 330.384 3.554 20 0 EHADRM CCc1cc(NC(=O)NCc2ccccc2CC(=O)[O-])ccc1C ZINC000326514621 971300669 /nfs/dbraw/zinc/30/06/69/971300669.db2.gz NRLSFZRLNRZVOU-UHFFFAOYSA-N -1 0 326.396 3.506 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)o1 ZINC000326654458 971314232 /nfs/dbraw/zinc/31/42/32/971314232.db2.gz BSOCOOAEXFODFT-ZAZJUGBXSA-N -1 0 345.439 3.580 20 0 EHADRM CCC1CCC(NC(=O)CCOc2cc(C)ccc2C)(C(=O)[O-])CC1 ZINC000326741217 971323721 /nfs/dbraw/zinc/32/37/21/971323721.db2.gz JLROQFCYXLMOHU-UHFFFAOYSA-N -1 0 347.455 3.612 20 0 EHADRM Cc1cccc(CN(C)C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)c1 ZINC000326802880 971329475 /nfs/dbraw/zinc/32/94/75/971329475.db2.gz BRMSIIHQXOIICE-UHFFFAOYSA-N -1 0 334.322 3.635 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)N2CC[C@H]3CCCC[C@@H]3C2)c1F ZINC000326810449 971330796 /nfs/dbraw/zinc/33/07/96/971330796.db2.gz DCCBQMOAMFDLKA-GHMZBOCLSA-N -1 0 338.354 3.707 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c(OC)c1)c1ccccc1 ZINC000326872956 971339054 /nfs/dbraw/zinc/33/90/54/971339054.db2.gz AJJKTTPQVUHZAD-OAHLLOKOSA-N -1 0 328.368 3.666 20 0 EHADRM COc1cc(NC(=O)NCC(C)(C)c2cccs2)ccc1C(=O)[O-] ZINC000326883874 971340007 /nfs/dbraw/zinc/34/00/07/971340007.db2.gz BDSLXEJQGKBLNJ-UHFFFAOYSA-N -1 0 348.424 3.554 20 0 EHADRM CC(C)c1ccccc1OCC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000326897595 971342450 /nfs/dbraw/zinc/34/24/50/971342450.db2.gz HYIWRDKARPLAJN-UHFFFAOYSA-N -1 0 349.333 3.804 20 0 EHADRM CCCCOc1ccc(C(=O)Nc2ccc(OC)cc2C(=O)[O-])cc1 ZINC000327073312 971363569 /nfs/dbraw/zinc/36/35/69/971363569.db2.gz DUSSXNPDNRJZRU-UHFFFAOYSA-N -1 0 343.379 3.825 20 0 EHADRM CC[C@@H](C)[C@H](C(=O)NCCc1ccccc1C(=O)[O-])c1ccccc1 ZINC000327178973 971375344 /nfs/dbraw/zinc/37/53/44/971375344.db2.gz AGQONGQOQLBBRZ-BEFAXECRSA-N -1 0 339.435 3.873 20 0 EHADRM CCCOc1ccc(NC(=O)NCCc2ccccc2C(=O)[O-])cc1 ZINC000327259880 971380988 /nfs/dbraw/zinc/38/09/88/971380988.db2.gz QFRMLXFBLDXXKB-UHFFFAOYSA-N -1 0 342.395 3.538 20 0 EHADRM CC1CCN(c2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2)CC1 ZINC000327292517 971384369 /nfs/dbraw/zinc/38/43/69/971384369.db2.gz KGYMCFJWYVJGGE-UHFFFAOYSA-N -1 0 338.407 3.873 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCCc2c[nH]c3ccccc23)ccc1F ZINC000327370757 971393559 /nfs/dbraw/zinc/39/35/59/971393559.db2.gz LMPQCTINSJDQCX-UHFFFAOYSA-N -1 0 340.354 3.967 20 0 EHADRM C[C@H](CCNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1ccccc1 ZINC000327443496 971399690 /nfs/dbraw/zinc/39/96/90/971399690.db2.gz VFFUWPNVKAUVOU-LLVKDONJSA-N -1 0 348.349 3.978 20 0 EHADRM C[C@@H]1Cc2ccccc2N(CCOc2ccc(/C=C\C(=O)[O-])cc2)C1 ZINC000327646816 971415168 /nfs/dbraw/zinc/41/51/68/971415168.db2.gz UPKVYSWRTNLASI-JXMNSVBMSA-N -1 0 337.419 3.862 20 0 EHADRM COc1cc(F)cc(NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000327816351 971426181 /nfs/dbraw/zinc/42/61/81/971426181.db2.gz LSJXZKVWKXZTCK-UHFFFAOYSA-N -1 0 346.358 3.841 20 0 EHADRM Cc1ccccc1OCCCC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000327878631 971430997 /nfs/dbraw/zinc/43/09/97/971430997.db2.gz YYJMQYATKQDWNG-UHFFFAOYSA-N -1 0 349.333 3.769 20 0 EHADRM Cc1nnc(SCc2ccc(C(=O)[O-])cc2)n1-c1ccccc1 ZINC000013236841 948777150 /nfs/dbraw/zinc/77/71/50/948777150.db2.gz RFBOSKCRCSKSBO-UHFFFAOYSA-N -1 0 325.393 3.566 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000013255264 948777792 /nfs/dbraw/zinc/77/77/92/948777792.db2.gz YEPHENCPCDELDQ-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)CSc1ccc(F)c(F)c1 ZINC000013276326 948779975 /nfs/dbraw/zinc/77/99/75/948779975.db2.gz ZBQGGHMXBUNONQ-UHFFFAOYSA-N -1 0 337.347 3.702 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1ccc(Br)cc1 ZINC000042317970 948874645 /nfs/dbraw/zinc/87/46/45/948874645.db2.gz CILCEKAQQIHQMX-SNVBAGLBSA-N -1 0 348.196 3.638 20 0 EHADRM CCN(C(=O)Cc1ccccc1C(=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000336879895 971516292 /nfs/dbraw/zinc/51/62/92/971516292.db2.gz NVKIIVXXABPJAI-ZDUSSCGKSA-N -1 0 329.371 3.676 20 0 EHADRM CCCC[C@@H](NC(=O)CSc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000345250865 971518452 /nfs/dbraw/zinc/51/84/52/971518452.db2.gz YYBAMKDGVKQCRK-GFCCVEGCSA-N -1 0 349.374 3.557 20 0 EHADRM CC(C)C[C@@H](Nc1ncnc2sc3c(c21)CC[C@H](C)C3)C(=O)[O-] ZINC000058279148 948939982 /nfs/dbraw/zinc/93/99/82/948939982.db2.gz GATROXNCJNSDQH-CMPLNLGQSA-N -1 0 333.457 3.727 20 0 EHADRM O=C([O-])CN(Cc1ccccc1)C(=O)c1[nH]c2ccccc2c1Cl ZINC000347360962 971523914 /nfs/dbraw/zinc/52/39/14/971523914.db2.gz ICTVNCASWYBWCB-UHFFFAOYSA-N -1 0 342.782 3.548 20 0 EHADRM CCC[C@@H](NC(=O)C1(Sc2ccc(C)cc2)CCCC1)C(=O)[O-] ZINC000347382471 971524716 /nfs/dbraw/zinc/52/47/16/971524716.db2.gz JTNNDAAAWZESQM-OAHLLOKOSA-N -1 0 335.469 3.769 20 0 EHADRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)c1ccccc1Cl ZINC000348006740 971527903 /nfs/dbraw/zinc/52/79/03/971527903.db2.gz STRQTZOYOOEOLB-UHFFFAOYSA-N -1 0 338.190 3.720 20 0 EHADRM Cc1cc(C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)sc1C ZINC000347997165 971527982 /nfs/dbraw/zinc/52/79/82/971527982.db2.gz LZCYYIDWHUSDOU-UHFFFAOYSA-N -1 0 337.828 3.745 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1cc(Cl)ccc1Cl ZINC000353848025 971528433 /nfs/dbraw/zinc/52/84/33/971528433.db2.gz WNQAQTWQRRXPKI-MRVPVSSYSA-N -1 0 339.178 3.578 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1cc(C(=O)[O-])co1)c1ccc(F)cc1F ZINC000352379947 971529018 /nfs/dbraw/zinc/52/90/18/971529018.db2.gz ZGJBMGOBCAPGPK-AWEZNQCLSA-N -1 0 337.322 3.773 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)cc1 ZINC000354171078 971530432 /nfs/dbraw/zinc/53/04/32/971530432.db2.gz FHKNAUOVRZHPDS-CVEARBPZSA-N -1 0 345.782 3.546 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1F)c1ccc(F)cc1F ZINC000358606057 971531563 /nfs/dbraw/zinc/53/15/63/971531563.db2.gz IBSIZXMFOKBYAD-OAHLLOKOSA-N -1 0 337.297 3.683 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000357415429 971531783 /nfs/dbraw/zinc/53/17/83/971531783.db2.gz FFDICYXNMSVQDV-HNNXBMFYSA-N -1 0 345.782 3.682 20 0 EHADRM CC[C@H](SC)C(=O)Nc1sc2c(c1C(=O)[O-])C[C@@H](C)O[C@@H]2C ZINC001589585620 949044427 /nfs/dbraw/zinc/04/44/27/949044427.db2.gz QXYJRYRIZRNKEB-MRTMQBJTSA-N -1 0 343.470 3.549 20 0 EHADRM C[C@@H](C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-])c1ccsc1 ZINC000362527368 971536023 /nfs/dbraw/zinc/53/60/23/971536023.db2.gz AIKPRRMUZSFMOC-UONOGXRCSA-N -1 0 331.437 3.601 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1ncccc1C(=O)[O-] ZINC001589587469 949067563 /nfs/dbraw/zinc/06/75/63/949067563.db2.gz SXRZVXFXIMJEAV-HNNXBMFYSA-N -1 0 342.395 3.699 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc3c(ccc(C)c3C)[nH]2)C1 ZINC001589602771 949201199 /nfs/dbraw/zinc/20/11/99/949201199.db2.gz AWIJQAKYKIOVEN-LJQANCHMSA-N -1 0 328.412 3.502 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc3ccccc3cc2OC)C1 ZINC001589604570 949227594 /nfs/dbraw/zinc/22/75/94/949227594.db2.gz WJSZLNFDAQSMJR-FQEVSTJZSA-N -1 0 341.407 3.565 20 0 EHADRM CC[C@]1(C)Oc2ccc(NC(=O)/C=C/c3ccc(C(=O)[O-])o3)cc2O1 ZINC001589611061 949322721 /nfs/dbraw/zinc/32/27/21/949322721.db2.gz UVHCNEKQZNMUMV-AHKGRUIUSA-N -1 0 343.335 3.527 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H](Oc2ccccc2)c2ccccc2)nc1 ZINC001595236237 949408432 /nfs/dbraw/zinc/40/84/32/949408432.db2.gz QTBUFGFPTHSVCZ-GOSISDBHSA-N -1 0 348.358 3.539 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc(SC(F)(F)F)c2)nc1 ZINC001595237108 949418393 /nfs/dbraw/zinc/41/83/93/949418393.db2.gz QCBFCVXBGGHVRE-UHFFFAOYSA-N -1 0 342.298 3.644 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)c1nccc2ccsc21 ZINC001595239486 949440870 /nfs/dbraw/zinc/44/08/70/949440870.db2.gz XYRYPDWGVIJWKH-UHFFFAOYSA-N -1 0 338.388 3.588 20 0 EHADRM O=C([O-])CCC(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000182163335 949491810 /nfs/dbraw/zinc/49/18/10/949491810.db2.gz IWKCRFBPIXJPJO-UHFFFAOYSA-N -1 0 340.988 3.559 20 0 EHADRM C[C@H](C(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccc(Cl)s1 ZINC000191209275 949508511 /nfs/dbraw/zinc/50/85/11/949508511.db2.gz NHQRHOTXGJAXDV-WDEREUQCSA-N -1 0 329.849 3.608 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N(Cc1ccccc1)c1ccccn1 ZINC001595254090 949576406 /nfs/dbraw/zinc/57/64/06/949576406.db2.gz VPZPJYVMPKQLDD-UHFFFAOYSA-N -1 0 346.386 3.556 20 0 EHADRM CCCC[C@@H](CC)COC(=O)c1ccc(NC(=O)[C@H](C)C(=O)[O-])cc1 ZINC001589640972 949689635 /nfs/dbraw/zinc/68/96/35/949689635.db2.gz NUHKMJDHKDAZDX-UONOGXRCSA-N -1 0 349.427 3.719 20 0 EHADRM CCCC[C@@H](CCC)NC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001589641568 949694946 /nfs/dbraw/zinc/69/49/46/949694946.db2.gz UZATVMBUCSXYFX-APWZRJJASA-N -1 0 334.460 3.687 20 0 EHADRM CCCCOc1cccc(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])c1 ZINC001589654600 949805442 /nfs/dbraw/zinc/80/54/42/949805442.db2.gz SXPZWHPQKZBQGU-CQSZACIVSA-N -1 0 336.432 3.734 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000236882670 949942731 /nfs/dbraw/zinc/94/27/31/949942731.db2.gz CBMJKEOWKOXAKB-HZPDHXFCSA-N -1 0 347.455 3.682 20 0 EHADRM C[C@@H]1CCc2c(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)csc2C1 ZINC000237435975 949961635 /nfs/dbraw/zinc/96/16/35/949961635.db2.gz SUPFUGOGGOMKCC-OLZOCXBDSA-N -1 0 335.469 3.590 20 0 EHADRM CCCO[C@H]1CCCN(C(=O)Nc2cccc(CCC(=O)[O-])c2)CC1 ZINC001589677854 950020392 /nfs/dbraw/zinc/02/03/92/950020392.db2.gz SBBWOQRQZORPSZ-KRWDZBQOSA-N -1 0 348.443 3.517 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)CCc2cc(Cl)cs2)Cc2ccccc21 ZINC000262106717 950065241 /nfs/dbraw/zinc/06/52/41/950065241.db2.gz FCPFOKKVLVOBLA-HNNXBMFYSA-N -1 0 349.839 3.545 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000262224129 950089928 /nfs/dbraw/zinc/08/99/28/950089928.db2.gz UVKILGRGFVPRKY-RBSFLKMASA-N -1 0 349.839 3.718 20 0 EHADRM CCCc1ccc(CCCC(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])cc1 ZINC001589691230 950111710 /nfs/dbraw/zinc/11/17/10/950111710.db2.gz DMMXXKWBOYKQAQ-KXBFYZLASA-N -1 0 331.456 3.674 20 0 EHADRM C[C@@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC[C@@H]1C(=O)[O-] ZINC000262829740 950170431 /nfs/dbraw/zinc/17/04/31/950170431.db2.gz CEBNPQYOQSZYIZ-CJNGLKHVSA-N -1 0 349.858 3.721 20 0 EHADRM CC(C)(C)NC(=O)c1cccc(NCc2cccc(C(=O)[O-])c2)c1 ZINC000262952666 950198107 /nfs/dbraw/zinc/19/81/07/950198107.db2.gz AYDQYDJASGOKFX-UHFFFAOYSA-N -1 0 326.396 3.525 20 0 EHADRM CC1CCN(c2cccc(NC(=O)NC(C)(C)CCC(=O)[O-])c2)CC1 ZINC000263011767 950212528 /nfs/dbraw/zinc/21/25/28/950212528.db2.gz HQPOODKKUICKOR-UHFFFAOYSA-N -1 0 347.459 3.688 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000263040420 950227227 /nfs/dbraw/zinc/22/72/27/950227227.db2.gz CFOXMNMGNMFXNK-BDAKNGLRSA-N -1 0 331.199 3.568 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263094463 950259424 /nfs/dbraw/zinc/25/94/24/950259424.db2.gz AOMLQTGUSZJLIX-ONGXEEELSA-N -1 0 335.787 3.577 20 0 EHADRM CCCn1ccc2ccc(NC(=O)N3C[C@@H](C)C[C@H](C(=O)[O-])C3)cc21 ZINC000263115980 950272335 /nfs/dbraw/zinc/27/23/35/950272335.db2.gz LMAJIEIPZKAXDT-ZFWWWQNUSA-N -1 0 343.427 3.626 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)C1CCC(c2ccccc2)CC1 ZINC000263127530 950283111 /nfs/dbraw/zinc/28/31/11/950283111.db2.gz FSKBWGZBXZPICJ-KUQKPQIMSA-N -1 0 329.440 3.672 20 0 EHADRM C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)CC[C@@H]1C(=O)[O-] ZINC000263138771 950289039 /nfs/dbraw/zinc/28/90/39/950289039.db2.gz YGSDLFKZHYHRAI-OPGCRTJHSA-N -1 0 337.419 3.513 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)N[C@H](c2ccccc2)C(C)(C)C)C1 ZINC000263157793 950302011 /nfs/dbraw/zinc/30/20/11/950302011.db2.gz FXDBDVMZGULONR-FVQBIDKESA-N -1 0 332.444 3.526 20 0 EHADRM Cc1ccc(C)c(OCCCCC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC000263225248 950335167 /nfs/dbraw/zinc/33/51/67/950335167.db2.gz PXHAOJQUEOOBIQ-IRXDYDNUSA-N -1 0 347.455 3.564 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1ccccc1SC(F)(F)F)C(=O)[O-] ZINC000314073427 950807596 /nfs/dbraw/zinc/80/75/96/950807596.db2.gz CTUKUNHOMCOXGB-SNVBAGLBSA-N -1 0 335.347 3.528 20 0 EHADRM O=C([O-])CC1(C(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)CCC1 ZINC001594970502 950840977 /nfs/dbraw/zinc/84/09/77/950840977.db2.gz GUAHUVWRJJTPKL-UHFFFAOYSA-N -1 0 349.377 3.616 20 0 EHADRM CCCc1sc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc1CC ZINC000317248847 950904075 /nfs/dbraw/zinc/90/40/75/950904075.db2.gz PJWODWVGETUVJS-CYBMUJFWSA-N -1 0 325.474 3.740 20 0 EHADRM Cc1nc(Cl)c(Cl)cc1C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000319255817 950953744 /nfs/dbraw/zinc/95/37/44/950953744.db2.gz CCYDDXHBJRHSHI-UHFFFAOYSA-N -1 0 345.226 3.604 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)Cc1ccccc1Cl ZINC000319807338 950968015 /nfs/dbraw/zinc/96/80/15/950968015.db2.gz JZRJOFYVDPCYCO-UHFFFAOYSA-N -1 0 329.783 3.560 20 0 EHADRM O=C([O-])c1c(NC(=O)Cc2ccccc2F)sc2c1CCCC2 ZINC000320099066 950976420 /nfs/dbraw/zinc/97/64/20/950976420.db2.gz YDLLDWFHGIPSIN-UHFFFAOYSA-N -1 0 333.384 3.645 20 0 EHADRM CC(C)CCCCCC(=O)N(C)[C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC001574195499 950990777 /nfs/dbraw/zinc/99/07/77/950990777.db2.gz QCFVTUFPMZNWFF-OAHLLOKOSA-N -1 0 343.475 3.993 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)C1(Sc2ccccc2)CC1)C(=O)[O-] ZINC001602859356 971709884 /nfs/dbraw/zinc/70/98/84/971709884.db2.gz HTUZSWXOFXTYBB-CQSZACIVSA-N -1 0 335.469 3.707 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)Nc2ccccc2-c2nccs2)C1 ZINC001594991000 951049196 /nfs/dbraw/zinc/04/91/96/951049196.db2.gz YSPMQEJABZQQLD-GFCCVEGCSA-N -1 0 345.424 3.529 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)cc2)cs1 ZINC000323622029 951051066 /nfs/dbraw/zinc/05/10/66/951051066.db2.gz UMXWXEPTOUBLEE-QWHCGFSZSA-N -1 0 330.409 3.558 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2oc3c(cccc3F)c2C)C1 ZINC000324847296 951076204 /nfs/dbraw/zinc/07/62/04/951076204.db2.gz DZUXALAMRJWSSL-SFHVURJKSA-N -1 0 333.359 3.597 20 0 EHADRM O=C([O-])CCC(=O)N1CCC[C@@H](Cc2csc3ccccc23)C1 ZINC001594995745 951076642 /nfs/dbraw/zinc/07/66/42/951076642.db2.gz IJJSSJJHTKVQJC-ZDUSSCGKSA-N -1 0 331.437 3.547 20 0 EHADRM CC(C)C[C@H](CNC(=O)NCC[C@H](C)c1ccccc1)CC(=O)[O-] ZINC000325026854 951079382 /nfs/dbraw/zinc/07/93/82/951079382.db2.gz FRCKKQFQKIEYHH-HOTGVXAUSA-N -1 0 334.460 3.616 20 0 EHADRM CC(C)[C@H](CNC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000325652914 951089566 /nfs/dbraw/zinc/08/95/66/951089566.db2.gz YYNRQKPJFRNPHY-KRWDZBQOSA-N -1 0 327.380 3.566 20 0 EHADRM O=C([O-])CCC(=O)OCc1cc(Cl)ccc1OC1CCCC1 ZINC001594998022 951095162 /nfs/dbraw/zinc/09/51/62/951095162.db2.gz ANLZTDPDZSKUAB-UHFFFAOYSA-N -1 0 326.776 3.569 20 0 EHADRM Cc1ccc2oc(C(=O)N3Cc4ccccc4[C@H](C(=O)[O-])C3)cc2c1 ZINC000326976716 951107132 /nfs/dbraw/zinc/10/71/32/951107132.db2.gz UUFLWIYQHUSZFZ-MRXNPFEDSA-N -1 0 335.359 3.565 20 0 EHADRM CC[C@H](NC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)C1CCCCC1 ZINC000327486071 951115576 /nfs/dbraw/zinc/11/55/76/951115576.db2.gz INQQRJPEBDTJCL-MSOLQXFVSA-N -1 0 344.455 3.739 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)CSc1ccc2c(c1)CCC2)C(=O)[O-] ZINC001602861102 971717834 /nfs/dbraw/zinc/71/78/34/971717834.db2.gz IPOACOFWRIODDN-MRXNPFEDSA-N -1 0 349.496 3.663 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2cnc(-c3ccco3)s2)c1 ZINC000344007468 951131546 /nfs/dbraw/zinc/13/15/46/951131546.db2.gz FNENIEUJFHIIER-UHFFFAOYSA-N -1 0 342.376 3.673 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2ccc(-c3cnco3)cc2)c1 ZINC000344049169 951132955 /nfs/dbraw/zinc/13/29/55/951132955.db2.gz PQYFKHJDOIXEJF-UHFFFAOYSA-N -1 0 336.347 3.611 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000347513780 951134030 /nfs/dbraw/zinc/13/40/30/951134030.db2.gz HYNBGRKHNDMGJI-CABCVRRESA-N -1 0 335.469 3.661 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)N[C@H](C(C)(C)C)C(F)(F)F)C(=O)[O-] ZINC001602861194 971718787 /nfs/dbraw/zinc/71/87/87/971718787.db2.gz MFGNVUGYVAKMLH-MWLCHTKSSA-N -1 0 340.386 3.542 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)c1ccccc1OC1CCC1)C(=O)[O-] ZINC001602861495 971721363 /nfs/dbraw/zinc/72/13/63/971721363.db2.gz ZHIFZSCRCRWSKP-OAHLLOKOSA-N -1 0 333.428 3.627 20 0 EHADRM O=C([O-])CC[C@H]1C[C@H](C(=O)Oc2ccc(-c3ccccc3)cc2)CO1 ZINC001595007858 951225416 /nfs/dbraw/zinc/22/54/16/951225416.db2.gz ZDOULSUHXUTXIC-WMZOPIPTSA-N -1 0 340.375 3.529 20 0 EHADRM O=C([O-])CC[C@H]1C[C@@H](C(=O)Oc2ccc(Cl)c3ccccc23)CO1 ZINC001595007867 951225944 /nfs/dbraw/zinc/22/59/44/951225944.db2.gz ZEPTXFCRLLBMCE-NEPJUHHUSA-N -1 0 348.782 3.669 20 0 EHADRM CCOc1ccc(-c2nnc(-c3cccc(C(=O)[O-])c3)o2)cc1OC ZINC001592255170 951316223 /nfs/dbraw/zinc/31/62/23/951316223.db2.gz AKXNQVWGDAKNSZ-UHFFFAOYSA-N -1 0 340.335 3.509 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@H](C)c2ccccc2Cl)C1 ZINC000389954356 951363536 /nfs/dbraw/zinc/36/35/36/951363536.db2.gz OEIQYSDFOMBLEU-SJKOYZFVSA-N -1 0 338.835 3.687 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000397019091 951500301 /nfs/dbraw/zinc/50/03/01/951500301.db2.gz HEKUCVFSHPEIEJ-UONOGXRCSA-N -1 0 348.196 3.652 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000397019092 951500783 /nfs/dbraw/zinc/50/07/83/951500783.db2.gz HEKUCVFSHPEIEJ-ZIAGYGMSSA-N -1 0 348.196 3.652 20 0 EHADRM O=C([O-])c1cccc(CS(=O)(=O)c2ccccc2Cl)c1Cl ZINC000381760224 971776700 /nfs/dbraw/zinc/77/67/00/971776700.db2.gz XAHYPRBOAINSLC-UHFFFAOYSA-N -1 0 345.203 3.666 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N1CCc2ccc(Cl)cc2C1 ZINC001595135966 952052143 /nfs/dbraw/zinc/05/21/43/952052143.db2.gz JPRNUNAEKYJMPR-UHFFFAOYSA-N -1 0 344.798 3.557 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1c1nc(-c2cccnc2Oc2ccccc2)no1 ZINC001595183925 952256196 /nfs/dbraw/zinc/25/61/96/952256196.db2.gz DCBAMCLYMBJDIM-CHWSQXEVSA-N -1 0 337.335 3.502 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)N(Cc2ccccc2)C2CC2)c1F ZINC000383542531 971875436 /nfs/dbraw/zinc/87/54/36/971875436.db2.gz DZYKZVCFYDTCOT-UHFFFAOYSA-N -1 0 346.333 3.860 20 0 EHADRM CC(C)(CCNC(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1)C(=O)[O-] ZINC001602940578 971907963 /nfs/dbraw/zinc/90/79/63/971907963.db2.gz FHCGQLVNFRPRQI-SJORKVTESA-N -1 0 346.471 3.588 20 0 EHADRM CCSc1ccc(CNC(=O)c2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001593598351 953385874 /nfs/dbraw/zinc/38/58/74/953385874.db2.gz BWAXNAKACXHSRG-UHFFFAOYSA-N -1 0 329.421 3.735 20 0 EHADRM C[C@@H]1C[C@H]1[C@H](NC(=O)N(C)CCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000414635210 953405537 /nfs/dbraw/zinc/40/55/37/953405537.db2.gz ZUBKGYRVXISERI-DJSGYFEHSA-N -1 0 338.835 3.543 20 0 EHADRM CC1CC(C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)(c2cccc(Cl)c2)C1 ZINC001589269595 953405910 /nfs/dbraw/zinc/40/59/10/953405910.db2.gz XGSHDYUWUYVAJM-PNBPBRNGSA-N -1 0 349.858 3.577 20 0 EHADRM COCCSc1ccc([C@H](C)Nc2cccc(C(=O)[O-])n2)cc1 ZINC000416408004 953409256 /nfs/dbraw/zinc/40/92/56/953409256.db2.gz NIJMCINEFUQSBJ-LBPRGKRZSA-N -1 0 332.425 3.691 20 0 EHADRM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)N(C)CCCC(=O)[O-] ZINC000417773103 953419140 /nfs/dbraw/zinc/41/91/40/953419140.db2.gz ZXRRQFMBQAUPAH-OAHLLOKOSA-N -1 0 347.459 3.702 20 0 EHADRM CC(C)Oc1c(F)cc(NC(=O)NCCCCCC(=O)[O-])cc1F ZINC000417804342 953420485 /nfs/dbraw/zinc/42/04/85/953420485.db2.gz YMHXHESKJYUPGP-UHFFFAOYSA-N -1 0 344.358 3.519 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)NC[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000424402646 953466486 /nfs/dbraw/zinc/46/64/86/953466486.db2.gz AACYIWQIWXEBSU-SJORKVTESA-N -1 0 332.444 3.588 20 0 EHADRM CC[C@H]1CN(C(=O)NCCC(C)(C)C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000424406242 953472315 /nfs/dbraw/zinc/47/23/15/953472315.db2.gz QJFYYIWHIKUGCH-DOTOQJQBSA-N -1 0 346.471 3.713 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2C(=O)NCCC(C)(C)C(=O)[O-])cc1 ZINC000424410384 953473801 /nfs/dbraw/zinc/47/38/01/953473801.db2.gz YYYXYXNFJDYGCY-INIZCTEOSA-N -1 0 332.444 3.733 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1 ZINC000427737276 953496513 /nfs/dbraw/zinc/49/65/13/953496513.db2.gz RNXWKNUFHHGWBD-SJKOYZFVSA-N -1 0 347.411 3.639 20 0 EHADRM CC[C@H](NC(=O)c1ccccc1Nc1cccc(C)c1C)C(=O)[O-] ZINC001593622297 953534353 /nfs/dbraw/zinc/53/43/53/953534353.db2.gz KVMOZHYRAWJBLB-HNNXBMFYSA-N -1 0 326.396 3.640 20 0 EHADRM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1(CC(=O)[O-])CCC1 ZINC000520819799 953552683 /nfs/dbraw/zinc/55/26/83/953552683.db2.gz MSWVLEOYWDHPHP-UHFFFAOYSA-N -1 0 330.211 3.597 20 0 EHADRM Cc1ccc(-c2nc(C(=O)NC3(CC(=O)[O-])CCCCC3)cs2)o1 ZINC000532258163 953563537 /nfs/dbraw/zinc/56/35/37/953563537.db2.gz WSWHHWXCXZAKTD-UHFFFAOYSA-N -1 0 348.424 3.619 20 0 EHADRM O=C([O-])c1cccc(C(=O)NCCc2csc3ccccc23)c1 ZINC000536409551 953572286 /nfs/dbraw/zinc/57/22/86/953572286.db2.gz JBXGBQMIVKHDHR-UHFFFAOYSA-N -1 0 325.389 3.572 20 0 EHADRM Cc1[nH]c2c(cccc2C(=O)N2CCC(CCC(=O)[O-])CC2)c1C ZINC000540785993 953576014 /nfs/dbraw/zinc/57/60/14/953576014.db2.gz DOXGTBOMNVCKFI-UHFFFAOYSA-N -1 0 328.412 3.502 20 0 EHADRM CCc1ccc(-c2nc(C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)cs2)cc1 ZINC001593634092 953599720 /nfs/dbraw/zinc/59/97/20/953599720.db2.gz YJNAHYMDBINCRN-NHYWBVRUSA-N -1 0 346.452 3.602 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000566181953 953620465 /nfs/dbraw/zinc/62/04/65/953620465.db2.gz SYZXKJWPZMQKHS-LNSITVRQSA-N -1 0 344.411 3.554 20 0 EHADRM C[C@@H]1CCN(C(=O)N[C@@H](CC2CCC2)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000567807139 953635067 /nfs/dbraw/zinc/63/50/67/953635067.db2.gz YAUHSXSXFJSJAB-JLSDUUJJSA-N -1 0 344.455 3.670 20 0 EHADRM C[C@@H]1C[C@@H]1[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001589295070 953638210 /nfs/dbraw/zinc/63/82/10/953638210.db2.gz OOPKKWGZXJNFSZ-RSOJBWMYSA-N -1 0 335.831 3.654 20 0 EHADRM C[C@@H]1C[C@H]1[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001589295066 953638498 /nfs/dbraw/zinc/63/84/98/953638498.db2.gz OOPKKWGZXJNFSZ-FESDDOHESA-N -1 0 335.831 3.654 20 0 EHADRM Cc1ccc(-c2csc(NC(=O)C3(CC(=O)[O-])CCC3)n2)cc1 ZINC000568889063 953646703 /nfs/dbraw/zinc/64/67/03/953646703.db2.gz MYCXHHFBBXAZSD-UHFFFAOYSA-N -1 0 330.409 3.702 20 0 EHADRM CCCn1ccc2cc(NC(=O)N3CC[C@@H](C)[C@H](C(=O)[O-])C3)ccc21 ZINC000570802786 953658591 /nfs/dbraw/zinc/65/85/91/953658591.db2.gz BDQPEHTYFGZPPZ-CZUORRHYSA-N -1 0 343.427 3.626 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCC[C@H](CCCc2ccccc2)C1 ZINC001602960812 971948331 /nfs/dbraw/zinc/94/83/31/971948331.db2.gz KISSUANZDRIIKZ-ROUUACIJSA-N -1 0 331.456 3.605 20 0 EHADRM CC(F)(F)c1cccc(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000577593141 953695935 /nfs/dbraw/zinc/69/59/35/953695935.db2.gz WDUBSISWXDVGIX-NSHDSACASA-N -1 0 326.343 3.517 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCCCC[C@@H]2/C=C/c2ccccc2)C1 ZINC001594793339 953699878 /nfs/dbraw/zinc/69/98/78/953699878.db2.gz JIQYBTRNOYYWPL-CAIRHXIQSA-N -1 0 342.439 3.517 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1ccccc1COC(C)(C)C ZINC001589306887 953752682 /nfs/dbraw/zinc/75/26/82/953752682.db2.gz YNWQAAUGSFSAAY-ZIAGYGMSSA-N -1 0 348.443 3.719 20 0 EHADRM CCc1oc2ccccc2c1CC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001593657927 953766292 /nfs/dbraw/zinc/76/62/92/953766292.db2.gz CQHDGFIVLVZMDM-UHFFFAOYSA-N -1 0 337.375 3.552 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)Nc2ccc3cc[nH]c3c2)c2ccccc21 ZINC001594806323 953781568 /nfs/dbraw/zinc/78/15/68/953781568.db2.gz GAFUSABNZOUYLY-RDJZCZTQSA-N -1 0 335.363 3.603 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC001589310599 953789749 /nfs/dbraw/zinc/78/97/49/953789749.db2.gz TUZJXBJRVLRUGP-HACGYAERSA-N -1 0 349.427 3.506 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N[C@H](C(F)F)C2CCCCC2)c1 ZINC001594809499 953803124 /nfs/dbraw/zinc/80/31/24/953803124.db2.gz YRRNQERKDKRSPY-ZDUSSCGKSA-N -1 0 326.343 3.720 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])cn1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000630294855 953850877 /nfs/dbraw/zinc/85/08/77/953850877.db2.gz ONSLMAYETXBZGC-WMZOPIPTSA-N -1 0 338.407 3.578 20 0 EHADRM C[C@@H](C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1c(Cl)cccc1Cl ZINC000643434370 953909773 /nfs/dbraw/zinc/90/97/73/953909773.db2.gz TZWGSRNCVZTNCK-MXWKQRLJSA-N -1 0 344.238 3.666 20 0 EHADRM C[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3)s2)[C@H]1C(=O)[O-] ZINC001589329634 953942907 /nfs/dbraw/zinc/94/29/07/953942907.db2.gz NWYPOXFTJRUVTH-MLGOLLRUSA-N -1 0 329.421 3.740 20 0 EHADRM CC(C)(C)[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)CCC(=O)[O-] ZINC000649255503 953988185 /nfs/dbraw/zinc/98/81/85/953988185.db2.gz KWDFUEOLYGRVBW-CYBMUJFWSA-N -1 0 345.361 3.644 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)CCc2ccc(F)cc2F)c2ccccc21 ZINC000649421304 953995391 /nfs/dbraw/zinc/99/53/91/953995391.db2.gz CLIHYYRMJKCCFY-HNNXBMFYSA-N -1 0 345.345 3.503 20 0 EHADRM Cc1ccc(-c2ncccc2NC(=O)NC2(CC(=O)[O-])CCC2)s1 ZINC000649542730 954005195 /nfs/dbraw/zinc/00/51/95/954005195.db2.gz NUDNCASKFIVHHB-UHFFFAOYSA-N -1 0 345.424 3.637 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001602974319 971982682 /nfs/dbraw/zinc/98/26/82/971982682.db2.gz FVPXVUWNJTZBOV-IBGZPJMESA-N -1 0 326.396 3.623 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N(C)Cc1ccccc1C(F)(F)F ZINC000653281581 954093437 /nfs/dbraw/zinc/09/34/37/954093437.db2.gz PWSIWLBLBRIWII-UHFFFAOYSA-N -1 0 331.334 3.555 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(Oc2ccncc2)cc1 ZINC000653294469 954103479 /nfs/dbraw/zinc/10/34/79/954103479.db2.gz NZCOMHOMDSCMPL-UHFFFAOYSA-N -1 0 328.368 3.703 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)NCc1ccc(-c2csc(C)n2)cc1 ZINC000653298753 954107560 /nfs/dbraw/zinc/10/75/60/954107560.db2.gz GJAWRKMZNAQADM-UHFFFAOYSA-N -1 0 346.452 3.626 20 0 EHADRM Cc1cccc(CC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c1Cl ZINC000653328802 954158616 /nfs/dbraw/zinc/15/86/16/954158616.db2.gz NGMXTMFYEJOUAM-HOTGVXAUSA-N -1 0 343.810 3.620 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)CCc2ccc(Cl)cc2)c2ccccc21 ZINC000653332582 954162910 /nfs/dbraw/zinc/16/29/10/954162910.db2.gz FOWDBLHKPIMFDL-SJORKVTESA-N -1 0 343.810 3.702 20 0 EHADRM Cc1ccc(CCC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c(C)c1 ZINC000653332904 954163698 /nfs/dbraw/zinc/16/36/98/954163698.db2.gz JUIQZXBCNQWAIJ-OALUTQOASA-N -1 0 337.419 3.665 20 0 EHADRM CCCOc1cccc(NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000653535498 954182763 /nfs/dbraw/zinc/18/27/63/954182763.db2.gz UMAIOMYKDOLFNI-UHOFOFEASA-N -1 0 348.443 3.732 20 0 EHADRM C[C@@H]1CCc2nc(NC(=O)Nc3cccc(CC(=O)[O-])c3)sc2C1 ZINC001589365667 954189184 /nfs/dbraw/zinc/18/91/84/954189184.db2.gz UXROWUJKLVDTCG-SNVBAGLBSA-N -1 0 345.424 3.539 20 0 EHADRM O=C([O-])[C@]1(C(=O)NCC2(Cc3ccccc3)CCCC2)CC=CCC1 ZINC001594855744 954232035 /nfs/dbraw/zinc/23/20/35/954232035.db2.gz BSUWLQPZEAVSJP-OAQYLSRUSA-N -1 0 341.451 3.717 20 0 EHADRM C[C@H](NC(=O)NCC(C)(C)C1=CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655878336 954264706 /nfs/dbraw/zinc/26/47/06/954264706.db2.gz DOGBAJXRJAOMKC-AEGPPILISA-N -1 0 336.476 3.558 20 0 EHADRM C[C@@H](NC(=O)NCC(C)(C)C1=CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655878340 954264716 /nfs/dbraw/zinc/26/47/16/954264716.db2.gz DOGBAJXRJAOMKC-VHDGCEQUSA-N -1 0 336.476 3.558 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2C(=O)NC[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000655893477 954274040 /nfs/dbraw/zinc/27/40/40/954274040.db2.gz NYJMEUCGVTVMSY-SJORKVTESA-N -1 0 332.444 3.588 20 0 EHADRM Cc1ccc([C@H]2CCCCCN2C(=O)NC[C@H](C(=O)[O-])C(C)C)o1 ZINC000655894046 954276110 /nfs/dbraw/zinc/27/61/10/954276110.db2.gz UVSCMWDKUGCIHA-LSDHHAIUSA-N -1 0 336.432 3.572 20 0 EHADRM C[C@H](CN(C)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655907531 954290451 /nfs/dbraw/zinc/29/04/51/954290451.db2.gz QJUUMJKBYOJEOF-YQFWSFKMSA-N -1 0 346.471 3.567 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@@H]1c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655908670 954291516 /nfs/dbraw/zinc/29/15/16/954291516.db2.gz RNBICIRDTOBDNB-XLNGHYISSA-N -1 0 344.455 3.669 20 0 EHADRM CC(C)N(Cc1ccccc1)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655908798 954292482 /nfs/dbraw/zinc/29/24/82/954292482.db2.gz ZWUPWBUFZPDQCM-BHYGNILZSA-N -1 0 346.471 3.742 20 0 EHADRM C[C@H]1CN(C(=O)c2cc3cc(C(C)(C)C)ccc3[nH]2)CC[C@H]1C(=O)[O-] ZINC001589392714 954340944 /nfs/dbraw/zinc/34/09/44/954340944.db2.gz QNGFKPMZEUYOFP-SWLSCSKDSA-N -1 0 342.439 3.648 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc([C@H]3CCOC3)cc2)CCCCCC1 ZINC001594870077 954344369 /nfs/dbraw/zinc/34/43/69/954344369.db2.gz RHAOIXJNSZBDBF-HNNXBMFYSA-N -1 0 331.412 3.554 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(SC(F)(F)F)nc2)CCCCC1 ZINC001594870531 954349893 /nfs/dbraw/zinc/34/98/93/954349893.db2.gz MCGCDBTVVXSVFA-UHFFFAOYSA-N -1 0 348.346 3.667 20 0 EHADRM CC(C)[C@@H](CNC(=O)NCC1CCC(c2ccccc2)CC1)C(=O)[O-] ZINC001602983831 972007669 /nfs/dbraw/zinc/00/76/69/972007669.db2.gz RAXSQACUMFFGEC-VMWRSERWSA-N -1 0 346.471 3.616 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc(NCC(F)(F)F)c2)CCCCC1 ZINC001594871357 954359514 /nfs/dbraw/zinc/35/95/14/954359514.db2.gz ZGOIVCARAOWEGU-UHFFFAOYSA-N -1 0 344.333 3.634 20 0 EHADRM CCCCC[C@@H]1CCCCN1C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000659783854 954373848 /nfs/dbraw/zinc/37/38/48/954373848.db2.gz BRBQKLUZRBGSFX-MRXNPFEDSA-N -1 0 333.428 3.725 20 0 EHADRM C[C@@H]1CN(Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)c2ccccc21 ZINC001589399001 954397528 /nfs/dbraw/zinc/39/75/28/954397528.db2.gz LIXDXHJHCSHPEH-HUUCEWRRSA-N -1 0 340.423 3.704 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)ccc1OCC(F)(F)F ZINC000663091839 954473036 /nfs/dbraw/zinc/47/30/36/954473036.db2.gz KWXBRJZHSFVWML-LBPRGKRZSA-N -1 0 347.333 3.622 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)[C@]3(C(=O)[O-])CC3(C)C)cc2)cs1 ZINC000663094403 954476316 /nfs/dbraw/zinc/47/63/16/954476316.db2.gz MXRCDONWADTZJI-KRWDZBQOSA-N -1 0 330.409 3.558 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)NCC1(C(=O)[O-])CCC1 ZINC000663347810 954538382 /nfs/dbraw/zinc/53/83/82/954538382.db2.gz WNQLBKDSHJEUHK-UHFFFAOYSA-N -1 0 340.807 3.504 20 0 EHADRM CC/C(=C\C(=O)NCc1cccc(C(=O)[O-])c1)c1ccc(OC)cc1 ZINC001589419708 954586707 /nfs/dbraw/zinc/58/67/07/954586707.db2.gz GLHBKCXMNSTFPM-NTCAYCPXSA-N -1 0 339.391 3.503 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)N2CCCCCCCC2)c2ccccc21 ZINC001594899265 954604540 /nfs/dbraw/zinc/60/45/40/954604540.db2.gz BGZYZEZLOJMRHF-IRXDYDNUSA-N -1 0 330.428 3.665 20 0 EHADRM O=C([O-])CC1(NC(=O)Cc2c(Cl)cccc2Cl)CCCCC1 ZINC000386083540 972030515 /nfs/dbraw/zinc/03/05/15/972030515.db2.gz LDFLHYZSRJVACN-UHFFFAOYSA-N -1 0 344.238 3.830 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)C[C@@H](Cc1ccccc1)c1ccccc1 ZINC001589434004 954677545 /nfs/dbraw/zinc/67/75/45/954677545.db2.gz VLWTZOBCEROWHX-MOPGFXCFSA-N -1 0 339.435 3.725 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)CCn1c2ccccc2c2ccccc21 ZINC001589434131 954678533 /nfs/dbraw/zinc/67/85/33/954678533.db2.gz WMMWBBOJJIVEEQ-INIZCTEOSA-N -1 0 338.407 3.506 20 0 EHADRM CCC(C)(C)C1CCC(NC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)CC1 ZINC001589448194 954784332 /nfs/dbraw/zinc/78/43/32/954784332.db2.gz XXNZCRGOEZZOFU-QVOMUQBLSA-N -1 0 338.492 3.734 20 0 EHADRM COc1cc(NC(=O)c2cccc3ccsc32)ccc1C(=O)[O-] ZINC000386294455 972042893 /nfs/dbraw/zinc/04/28/93/972042893.db2.gz IUPHBRADWYPLJX-UHFFFAOYSA-N -1 0 327.361 3.860 20 0 EHADRM C[C@H](CCC(C)(C)C)NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000386322029 972044829 /nfs/dbraw/zinc/04/48/29/972044829.db2.gz YJHJNIVMBLADAA-SNVBAGLBSA-N -1 0 347.864 3.531 20 0 EHADRM CC(C)CC(CC(C)C)NC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001603002461 972045715 /nfs/dbraw/zinc/04/57/15/972045715.db2.gz SDJMHJCPYVZSTN-OAHLLOKOSA-N -1 0 326.481 3.734 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)N1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC001589463441 954873708 /nfs/dbraw/zinc/87/37/08/954873708.db2.gz AQDUJSVYZSUGDH-KDUZZVNYSA-N -1 0 345.439 3.589 20 0 EHADRM COC(=O)[C@@H](Cc1ccc(C)cc1)SCc1ccc(C(=O)[O-])cc1 ZINC001593810025 954926796 /nfs/dbraw/zinc/92/67/96/954926796.db2.gz FAXLTHOKRQEFQM-QGZVFWFLSA-N -1 0 344.432 3.711 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1cc(C)n(-c2cccc(Cl)c2)n1 ZINC001589477346 954961432 /nfs/dbraw/zinc/96/14/32/954961432.db2.gz DHPZVOJZNMNHMW-UHFFFAOYSA-N -1 0 349.818 3.664 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(OC(C)=O)c2ccccc12 ZINC001589480312 954968533 /nfs/dbraw/zinc/96/85/33/954968533.db2.gz QGVMYONPQZFWIT-UHFFFAOYSA-N -1 0 343.379 3.595 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)[C@@H](F)CC1CCCCC1 ZINC001594966126 955057512 /nfs/dbraw/zinc/05/75/12/955057512.db2.gz UWUYXUSBGXBQAV-IRXDYDNUSA-N -1 0 333.403 3.506 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)N[C@H](c2ccc(F)cc2F)C2CC2)co1 ZINC001594967165 955070262 /nfs/dbraw/zinc/07/02/62/955070262.db2.gz YJQWEUNLMOQYSK-YXMMZVCTSA-N -1 0 347.317 3.537 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)NCc2cc(Cl)cc(Cl)c2)co1 ZINC001594967560 955071465 /nfs/dbraw/zinc/07/14/65/955071465.db2.gz AYCBZLMRKODYDC-OWOJBTEDSA-N -1 0 340.162 3.614 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)NC2(Cc3cccc(Cl)c3)CC2)co1 ZINC001594970075 955101856 /nfs/dbraw/zinc/10/18/56/955101856.db2.gz QPVGVZNCJLLKBC-SNAWJCMRSA-N -1 0 345.782 3.536 20 0 EHADRM CC[C@H](CNC(=O)N[C@H](C)c1sc2ccccc2c1C)C(=O)[O-] ZINC001589539540 955190451 /nfs/dbraw/zinc/19/04/51/955190451.db2.gz WAZQEOUEEQEQGU-VXGBXAGGSA-N -1 0 334.441 3.681 20 0 EHADRM CC[C@H](CNC(=O)c1cc(F)c(Oc2ccccc2)c(F)c1)C(=O)[O-] ZINC001589549428 955210358 /nfs/dbraw/zinc/21/03/58/955210358.db2.gz PFJCBVBWQLVFQR-LLVKDONJSA-N -1 0 349.333 3.598 20 0 EHADRM CC(C)[C@@H](NC(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000769560656 955322891 /nfs/dbraw/zinc/32/28/91/955322891.db2.gz XWSUTCOKIZPAAR-ACVFHECNSA-N -1 0 349.736 3.597 20 0 EHADRM C[C@@](CNC(=O)C=C1CCC(C)(C)CC1)(C(=O)[O-])c1ccccc1 ZINC000799251597 955352882 /nfs/dbraw/zinc/35/28/82/955352882.db2.gz IWOYOCQMODEJDM-FQEVSTJZSA-N -1 0 329.440 3.672 20 0 EHADRM CC(C)C[C@@H](NC(=O)/C=C/c1ccc(F)c2ccccc12)C(=O)[O-] ZINC001603036282 972095928 /nfs/dbraw/zinc/09/59/28/972095928.db2.gz BWZKLLGOGQGNPJ-SYJIQKIWSA-N -1 0 329.371 3.608 20 0 EHADRM CC(C)C[C@H](CNC(=O)NCCC1CCC(F)(F)CC1)CC(=O)[O-] ZINC001603041645 972102215 /nfs/dbraw/zinc/10/22/15/972102215.db2.gz QOAOTTIGRQDMJA-AWEZNQCLSA-N -1 0 348.434 3.638 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCC(C)(C(C)C)CC1)CC(=O)[O-] ZINC001603042853 972108801 /nfs/dbraw/zinc/10/88/01/972108801.db2.gz XOLCXKRKKWCFSO-HNNXBMFYSA-N -1 0 326.481 3.591 20 0 EHADRM O=C([O-])c1cccc(CNc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)c1 ZINC000840994801 955582889 /nfs/dbraw/zinc/58/28/89/955582889.db2.gz MYFZVQBKVRENAL-RTBURBONSA-N -1 0 341.407 3.679 20 0 EHADRM CC(C)C[C@H](CNC(=O)C1(Sc2ccccc2)CC1)CC(=O)[O-] ZINC001603042851 972109015 /nfs/dbraw/zinc/10/90/15/972109015.db2.gz ZPWGMFQSOLROBA-AWEZNQCLSA-N -1 0 335.469 3.565 20 0 EHADRM C[C@H](NC(=O)CCCC(=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000844246669 955660566 /nfs/dbraw/zinc/66/05/66/955660566.db2.gz NCUGFVCXSJMTTH-HNNXBMFYSA-N -1 0 325.408 3.578 20 0 EHADRM CC(C)Cc1ccc([C@H](NC(=O)N(C)C[C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC001603054448 972121107 /nfs/dbraw/zinc/12/11/07/972121107.db2.gz VGHNDZLAMPCVOH-KDOFPFPSSA-N -1 0 346.471 3.698 20 0 EHADRM C[C@H](Cc1cccc(F)c1)N(C)C(=O)C1(C(=O)[O-])CCCCCC1 ZINC001589080633 955848520 /nfs/dbraw/zinc/84/85/20/955848520.db2.gz JYPWVBKDWYZKFF-CQSZACIVSA-N -1 0 335.419 3.640 20 0 EHADRM Cc1cc2c(CC(=O)NCCCCCC(=O)[O-])csc2s1 ZINC000864119476 955947547 /nfs/dbraw/zinc/94/75/47/955947547.db2.gz DPCKOXRITKVGDZ-UHFFFAOYSA-N -1 0 325.455 3.575 20 0 EHADRM CC1(C)[C@H](C(=O)N2CCCC[C@@H]2CCC(=O)[O-])[C@H]1c1ccccc1 ZINC000864132400 955956286 /nfs/dbraw/zinc/95/62/86/955956286.db2.gz SAIJIKSDPYVRJR-NXHRZFHOSA-N -1 0 329.440 3.672 20 0 EHADRM C[C@@H]1CN(C(=O)/C=C\c2ccc(F)c3ccccc23)CC[C@H]1C(=O)[O-] ZINC000864139146 955961899 /nfs/dbraw/zinc/96/18/99/955961899.db2.gz DULBHJZDQONPSM-VVDJSUPNSA-N -1 0 341.382 3.561 20 0 EHADRM C[C@@](Cc1ccccc1)(NC(=O)/C=C/c1ccc(C(=O)[O-])o1)C1CC1 ZINC000864153198 955969775 /nfs/dbraw/zinc/96/97/75/955969775.db2.gz AUKWUIFZQBDQPN-XETPZZHUSA-N -1 0 339.391 3.519 20 0 EHADRM CC(C)c1ccc(Oc2cc(C(=O)N(C)CCC(=O)[O-])ccn2)cc1 ZINC000868435294 956012054 /nfs/dbraw/zinc/01/20/54/956012054.db2.gz VDHVWLABILKTDW-UHFFFAOYSA-N -1 0 342.395 3.544 20 0 EHADRM CC(C)OCCC(=O)Nc1sc2c(c1C(=O)[O-])CCC(C)(C)C2 ZINC001603076118 972148801 /nfs/dbraw/zinc/14/88/01/972148801.db2.gz SSTOBTXZSNRRGV-UHFFFAOYSA-N -1 0 339.457 3.715 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)c2cc(C(F)(F)F)ccc2Cl)C1 ZINC000901454862 956316708 /nfs/dbraw/zinc/31/67/08/956316708.db2.gz YDOGLWGVNRZVFK-SECBINFHSA-N -1 0 349.736 3.686 20 0 EHADRM C[C@@H](Sc1nc2c(F)cccc2cc1Br)C(=O)[O-] ZINC001589173203 956475363 /nfs/dbraw/zinc/47/53/63/956475363.db2.gz UQEMXRFQVOQGMO-ZCFIWIBFSA-N -1 0 330.178 3.702 20 0 EHADRM C[C@H](c1ccc2ccccc2c1)N(C(=O)c1cc(C(=O)[O-])n[nH]1)C1CC1 ZINC001589175179 956492319 /nfs/dbraw/zinc/49/23/19/956492319.db2.gz RCRQESLMHJGWIP-GFCCVEGCSA-N -1 0 349.390 3.627 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)CCSc1ccccc1Cl ZINC000388765421 972190768 /nfs/dbraw/zinc/19/07/68/972190768.db2.gz KZYHMFPODDJGDL-ZDUSSCGKSA-N -1 0 343.876 3.828 20 0 EHADRM C[C@@H](NC(=O)c1cccc(C(F)F)c1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000902029700 956619378 /nfs/dbraw/zinc/61/93/78/956619378.db2.gz JEMIJOAUIJSSCJ-JFUSQASVSA-N -1 0 343.345 3.629 20 0 EHADRM O=C(/C=C/c1ccc(C(=O)[O-])o1)O[C@H](c1ccccc1)c1ccccn1 ZINC001594675339 956654800 /nfs/dbraw/zinc/65/48/00/956654800.db2.gz XBBFSDFIIWSPOG-FMAYLGMYSA-N -1 0 349.342 3.719 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2Cl)CC[C@H]1C(=O)[O-] ZINC000902175460 956676097 /nfs/dbraw/zinc/67/60/97/956676097.db2.gz DYBFJYUFGSFNQK-PSASIEDQSA-N -1 0 349.736 3.542 20 0 EHADRM CC1(C)C(c2cc(NC(=O)C3(C(=O)[O-])C(C)(C)C3(C)C)n[nH]2)C1(C)C ZINC001589210102 956681672 /nfs/dbraw/zinc/68/16/72/956681672.db2.gz WALRGJSGBRVKNX-UHFFFAOYSA-N -1 0 347.459 3.635 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCC(Cc2ccccc2Cl)CC1 ZINC001589211397 956691475 /nfs/dbraw/zinc/69/14/75/956691475.db2.gz KJYDQMFSOAAQMP-LJQANCHMSA-N -1 0 349.858 3.622 20 0 EHADRM C[C@@H]1CCN(C(=O)c2coc(/C=C\C(=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000902730752 956782906 /nfs/dbraw/zinc/78/29/06/956782906.db2.gz GHFKPGSGSHVLNI-FIORAYAUSA-N -1 0 325.364 3.601 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(Br)s1 ZINC000008189367 956883364 /nfs/dbraw/zinc/88/33/64/956883364.db2.gz HYTDJPLABDZDRQ-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)COc1ccc(CC(=O)[O-])cc1 ZINC000013015094 956905857 /nfs/dbraw/zinc/90/58/57/956905857.db2.gz GDTBHMSYBBPPKB-UHFFFAOYSA-N -1 0 341.407 3.629 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2sccc2s1)c1ccc(F)cc1 ZINC001594716352 956931659 /nfs/dbraw/zinc/93/16/59/956931659.db2.gz RPNZVVFJIQUJIT-ZDUSSCGKSA-N -1 0 335.381 3.658 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(-c2ccccc2)o1)c1ccc(F)cc1 ZINC001594716427 956933993 /nfs/dbraw/zinc/93/39/93/956933993.db2.gz SZVCGQRIYRWQHZ-KRWDZBQOSA-N -1 0 339.322 3.641 20 0 EHADRM Cc1cccc(NC(=O)COc2cc(Cl)ccc2C(=O)[O-])c1C ZINC000013085175 956935896 /nfs/dbraw/zinc/93/58/96/956935896.db2.gz WNCCXRVDILFFGX-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM C[C@]1(Cc2cccs2)CCCN1C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001589247587 956945703 /nfs/dbraw/zinc/94/57/03/956945703.db2.gz OYMBWAZTXLQXGT-OOFWQKGWSA-N -1 0 345.420 3.676 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)[C@@H](F)CC2CCCCC2)c2ccccc21 ZINC001594725757 956997726 /nfs/dbraw/zinc/99/77/26/956997726.db2.gz DUBISWMOJUDUSJ-YESZJQIVSA-N -1 0 333.403 3.724 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)c2c[nH]cc2-c2ccccc2)c2ccccc21 ZINC001594726777 957012207 /nfs/dbraw/zinc/01/22/07/957012207.db2.gz OEZNOBHSJCQIKI-APWZRJJASA-N -1 0 346.386 3.725 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc(C(=O)[O-])cc1 ZINC000013308767 957015065 /nfs/dbraw/zinc/01/50/65/957015065.db2.gz SBWSORXDQJZLMK-LLVKDONJSA-N -1 0 333.771 3.753 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1 ZINC000389636698 972236198 /nfs/dbraw/zinc/23/61/98/972236198.db2.gz WDHYRYUKBYXXMH-UHFFFAOYSA-N -1 0 328.771 3.588 20 0 EHADRM O=C([O-])c1cccc(OCC(=O)Nc2c(Cl)cccc2Cl)c1 ZINC000013418756 957057949 /nfs/dbraw/zinc/05/79/49/957057949.db2.gz BPJPOLHOPXOYER-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1F ZINC000013429409 957069363 /nfs/dbraw/zinc/06/93/63/957069363.db2.gz TXFBAXFDJHEVIF-UHFFFAOYSA-N -1 0 335.762 3.596 20 0 EHADRM Cc1ccc(SCC(=O)Nc2ccc(CC(=O)[O-])cc2)c(C)c1 ZINC000013438818 957075761 /nfs/dbraw/zinc/07/57/61/957075761.db2.gz BJXLPKKMQAUSBT-UHFFFAOYSA-N -1 0 329.421 3.661 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1ccc(Cl)cc1Cl ZINC000013448531 957086649 /nfs/dbraw/zinc/08/66/49/957086649.db2.gz NRCCCGDLTRZKIL-UHFFFAOYSA-N -1 0 336.174 3.895 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000013447751 957086663 /nfs/dbraw/zinc/08/66/63/957086663.db2.gz PMDBFSRTWMAEGV-UHFFFAOYSA-N -1 0 341.794 3.659 20 0 EHADRM O=C([O-])c1ccc(CSCCC(=O)Nc2cccc(F)c2)cc1 ZINC000013465143 957093989 /nfs/dbraw/zinc/09/39/89/957093989.db2.gz PYBRTUOFPZMIMQ-UHFFFAOYSA-N -1 0 333.384 3.786 20 0 EHADRM COc1cccc(C[C@H](C)CC(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000923066238 957099508 /nfs/dbraw/zinc/09/95/08/957099508.db2.gz HXWUXERUWYGEOB-AWEZNQCLSA-N -1 0 341.407 3.530 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)Nc2cccc(C3CCC3)c2)C[C@H]1C1CC1 ZINC000926122054 957145994 /nfs/dbraw/zinc/14/59/94/957145994.db2.gz AZGMQZXMGKGXSV-DLBZAZTESA-N -1 0 328.412 3.529 20 0 EHADRM CCC(CC)(CNC(=O)N[C@H](c1ncccc1C)C(C)(C)C)C(=O)[O-] ZINC001121815695 957209670 /nfs/dbraw/zinc/20/96/70/957209670.db2.gz MIMHSOWGQVTYOF-OAHLLOKOSA-N -1 0 349.475 3.667 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(Br)cc2)ccc1F ZINC000037402701 957275067 /nfs/dbraw/zinc/27/50/67/957275067.db2.gz HKPNNWZLYKDQFD-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)Cc1ccc(Cl)cc1Cl ZINC000037450787 957294303 /nfs/dbraw/zinc/29/43/03/957294303.db2.gz VMDQFHRVPLPGSA-UHFFFAOYSA-N -1 0 330.192 3.934 20 0 EHADRM Cc1cc(C(=O)[O-])c(NC(=O)COc2cccc(C(C)C)c2)s1 ZINC000389908707 972254970 /nfs/dbraw/zinc/25/49/70/972254970.db2.gz BEIHVGCDROOJPE-UHFFFAOYSA-N -1 0 333.409 3.896 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1sc2ccccc2c1Cl ZINC000037589801 957310567 /nfs/dbraw/zinc/31/05/67/957310567.db2.gz JMMVBQYJPKSXDD-VIFPVBQESA-N -1 0 325.817 3.880 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H]2CCCc3sccc32)cc1C(=O)[O-] ZINC000390014879 972260960 /nfs/dbraw/zinc/26/09/60/972260960.db2.gz PTAWJBBEVFSNEY-CQSZACIVSA-N -1 0 330.409 3.954 20 0 EHADRM C[C@](NCc1nccs1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000041835679 957400336 /nfs/dbraw/zinc/40/03/36/957400336.db2.gz KUUDNOCFOXQITP-CYBMUJFWSA-N -1 0 331.224 3.540 20 0 EHADRM Cc1sc2ncnc(NCCc3ccc(C(=O)[O-])cc3)c2c1C ZINC000390336910 972276808 /nfs/dbraw/zinc/27/68/08/972276808.db2.gz UVURQPTXOYHWCV-UHFFFAOYSA-N -1 0 327.409 3.661 20 0 EHADRM Cc1ccc(C(C)C)c(OCC(=O)Oc2ccc(C(=O)[O-])cc2)c1 ZINC000066144574 957642589 /nfs/dbraw/zinc/64/25/89/957642589.db2.gz RRUYDMGFIDUEPB-UHFFFAOYSA-N -1 0 328.364 3.801 20 0 EHADRM Cc1cc(Br)cc(NC[C@H](CC(=O)[O-])CC(C)C)n1 ZINC001594272404 957687720 /nfs/dbraw/zinc/68/77/20/957687720.db2.gz ZYUFYODXLPRKAE-NSHDSACASA-N -1 0 329.238 3.701 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2C[C@H](C)Cc3cccc(F)c32)c1 ZINC001594281869 957753647 /nfs/dbraw/zinc/75/36/47/957753647.db2.gz FVZZCAUFUJWPHF-GFCCVEGCSA-N -1 0 327.355 3.671 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)Nc2ccc3c(c2)CCCCC3)C[C@H]1C1CC1 ZINC001574777476 957773179 /nfs/dbraw/zinc/77/31/79/957773179.db2.gz OOWGKYYADWDUPW-ZWKOTPCHSA-N -1 0 342.439 3.530 20 0 EHADRM Cc1cc(NC(=O)c2cnn(C3CCCCC3)c2)ccc1C(=O)[O-] ZINC001336069124 957827804 /nfs/dbraw/zinc/82/78/04/957827804.db2.gz ZQQSIJABPSHBNJ-UHFFFAOYSA-N -1 0 327.384 3.647 20 0 EHADRM O=C([O-])c1ccc(COC(=O)C2(c3ccc(F)cc3)CCC2)cc1 ZINC001574802510 957840590 /nfs/dbraw/zinc/84/05/90/957840590.db2.gz IFUUFQHLODHSDB-UHFFFAOYSA-N -1 0 328.339 3.689 20 0 EHADRM CON(C(=O)c1sc2cc(Cl)ccc2c1Cl)[C@H](C)C(=O)[O-] ZINC001594040661 957868061 /nfs/dbraw/zinc/86/80/61/957868061.db2.gz ORVHPGKJVZRJKG-ZCFIWIBFSA-N -1 0 348.207 3.685 20 0 EHADRM O=C([O-])c1cc(NC(=O)NCCc2ccc(F)cc2)ccc1Cl ZINC000390696207 972300065 /nfs/dbraw/zinc/30/00/65/972300065.db2.gz DFEVJFXLUUIDOK-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC001603199798 972305064 /nfs/dbraw/zinc/30/50/64/972305064.db2.gz MIGGSSQZKIHMJT-SNVBAGLBSA-N -1 0 333.771 3.561 20 0 EHADRM C[C@@H]1c2ccccc2CN1C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001340585253 957941655 /nfs/dbraw/zinc/94/16/55/957941655.db2.gz LITRHXGCERLGIY-OCBCSQNSSA-N -1 0 336.391 3.586 20 0 EHADRM C[C@@H]1c2ccccc2CN1C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001340585254 957941794 /nfs/dbraw/zinc/94/17/94/957941794.db2.gz LITRHXGCERLGIY-PJSAGSTRSA-N -1 0 336.391 3.586 20 0 EHADRM CC(C)c1ccc(C[C@@H](C)NC(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC001603200115 972307637 /nfs/dbraw/zinc/30/76/37/972307637.db2.gz UHEVASFUFKYSJI-NVXWUHKLSA-N -1 0 346.471 3.637 20 0 EHADRM C[C@H](CSc1ccccc1)N(C)C(=O)c1cccc(C(=O)[O-])c1 ZINC001603200180 972308328 /nfs/dbraw/zinc/30/83/28/972308328.db2.gz WVTXNVINFLADDJ-CYBMUJFWSA-N -1 0 329.421 3.638 20 0 EHADRM Cc1cc(Cl)ncc1NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001594308819 957993923 /nfs/dbraw/zinc/99/39/23/957993923.db2.gz GGXDJSGBLZRMKA-UHFFFAOYSA-N -1 0 333.775 3.705 20 0 EHADRM Cc1cc(F)c2c(c1)CCCN2CCOc1ccccc1C(=O)[O-] ZINC001594310784 958014482 /nfs/dbraw/zinc/01/44/82/958014482.db2.gz MPHDZPYGCFCQCU-UHFFFAOYSA-N -1 0 329.371 3.664 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Nc1ccn(C2CCCCC2)n1 ZINC001343346880 958040702 /nfs/dbraw/zinc/04/07/02/958040702.db2.gz HNUKCMLXTPCRBO-CQSZACIVSA-N -1 0 348.447 3.640 20 0 EHADRM COc1cc(C)ccc1Oc1ccc(NC(=O)[C@H](C)C(=O)[O-])cc1F ZINC001594057800 958055040 /nfs/dbraw/zinc/05/50/40/958055040.db2.gz NYBDKAGZXBNROT-NSHDSACASA-N -1 0 347.342 3.594 20 0 EHADRM Cc1cc(NC(=O)c2ccc3c(c2)C(C)(C)CO3)ccc1C(=O)[O-] ZINC001594325424 958165397 /nfs/dbraw/zinc/16/53/97/958165397.db2.gz AUNFRRQRKGANTL-UHFFFAOYSA-N -1 0 325.364 3.616 20 0 EHADRM Cc1cc(NC(=O)c2ccc(OCC(=O)[O-])cc2)c(Cl)cc1F ZINC001594325572 958168080 /nfs/dbraw/zinc/16/80/80/958168080.db2.gz ORZWVPAVKWDJHY-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])ccc1C(C)C ZINC001594326398 958176716 /nfs/dbraw/zinc/17/67/16/958176716.db2.gz DIGCNQLRMOJHRX-SIIHOXLZSA-N -1 0 347.455 3.597 20 0 EHADRM C[C@H](NC(=O)[C@H](C(=O)[O-])C1CC1)c1cccc(SC(F)(F)F)c1 ZINC001603211266 972326302 /nfs/dbraw/zinc/32/63/02/972326302.db2.gz WJMCQWRRRAJNBV-QPUJVOFHSA-N -1 0 347.358 3.587 20 0 EHADRM C[C@H](NC(=O)[C@@H](C(=O)[O-])C1CC1)c1cccc(SC(F)(F)F)c1 ZINC001603211267 972326596 /nfs/dbraw/zinc/32/65/96/972326596.db2.gz WJMCQWRRRAJNBV-UFBFGSQYSA-N -1 0 347.358 3.587 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(c1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000391275414 972327188 /nfs/dbraw/zinc/32/71/88/972327188.db2.gz ZGCIQZPMRVIQKO-UHFFFAOYSA-N -1 0 332.743 3.509 20 0 EHADRM COc1ccc(-c2nccc(Oc3ccc(CC(=O)[O-])cc3)n2)cc1 ZINC001594074361 958203749 /nfs/dbraw/zinc/20/37/49/958203749.db2.gz RYMBJOHIEYDTIN-UHFFFAOYSA-N -1 0 336.347 3.572 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001594331093 958218788 /nfs/dbraw/zinc/21/87/88/958218788.db2.gz ILEMLUZKJLEATL-CQSZACIVSA-N -1 0 343.383 3.516 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3CCC[C@H](C)[C@H]3C(=O)[O-])s2)o1 ZINC001594334191 958251382 /nfs/dbraw/zinc/25/13/82/958251382.db2.gz PIJKVYVKNHIGIK-BONVTDFDSA-N -1 0 333.409 3.642 20 0 EHADRM Cc1ccc(-c2nc(C(=O)Nc3sccc3C(=O)[O-])cs2)o1 ZINC001594335645 958264262 /nfs/dbraw/zinc/26/42/62/958264262.db2.gz XVAKRHLIEPRILD-UHFFFAOYSA-N -1 0 334.378 3.724 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CC=C(C(F)(F)F)CC2)cc1Cl ZINC000391400998 972333701 /nfs/dbraw/zinc/33/37/01/972333701.db2.gz BYMVOMSFZGLXRW-UHFFFAOYSA-N -1 0 348.708 3.765 20 0 EHADRM Cc1cc(C(=O)Nc2ccccc2C(=O)[O-])sc1Br ZINC000094533253 958291118 /nfs/dbraw/zinc/29/11/18/958291118.db2.gz AZFFPFCTYKARJG-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000096583962 958337441 /nfs/dbraw/zinc/33/74/41/958337441.db2.gz JJFFRABLLZSFDT-UONOGXRCSA-N -1 0 345.782 3.789 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000391638665 972352268 /nfs/dbraw/zinc/35/22/68/972352268.db2.gz PXYOSJWXHILQOA-UHFFFAOYSA-N -1 0 329.783 3.545 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000391639467 972353016 /nfs/dbraw/zinc/35/30/16/972353016.db2.gz QSFIJOVCPMWUQH-OAHLLOKOSA-N -1 0 329.783 3.867 20 0 EHADRM COc1ccc2c(c1)CCCN2C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001594115403 958548222 /nfs/dbraw/zinc/54/82/22/958548222.db2.gz MSCXVFCGLLGISH-UHFFFAOYSA-N -1 0 344.342 3.517 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2c(F)cccc2Br)cc1 ZINC000127590118 958618738 /nfs/dbraw/zinc/61/87/38/958618738.db2.gz OCNBNKCHSXKQOE-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM Cc1ccc2c(c1C)N(C(=O)/C=C/c1ccc(C(=O)[O-])o1)CCC2 ZINC001594382291 958645413 /nfs/dbraw/zinc/64/54/13/958645413.db2.gz YIDMCGNWYZMNFM-CSKARUKUSA-N -1 0 325.364 3.587 20 0 EHADRM CCC1CCC(NC(=O)CSc2cc(C)ccc2C)(C(=O)[O-])CC1 ZINC000391757398 972367801 /nfs/dbraw/zinc/36/78/01/972367801.db2.gz VDKKOZVQXHZTND-UHFFFAOYSA-N -1 0 349.496 3.935 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)Nc1snc2ccccc21)C(=O)[O-] ZINC001573394972 958712002 /nfs/dbraw/zinc/71/20/02/958712002.db2.gz JSVIRXFETHBDPS-LBPRGKRZSA-N -1 0 335.429 3.697 20 0 EHADRM O=C([O-])[C@H](NC(=O)Cc1c(Cl)cccc1Cl)c1cccs1 ZINC000129603136 958712245 /nfs/dbraw/zinc/71/22/45/958712245.db2.gz URYNWRSUPOSATQ-CYBMUJFWSA-N -1 0 344.219 3.540 20 0 EHADRM O=C(N[C@H](c1ccc(F)cc1)C1CCCCC1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605735366 972373172 /nfs/dbraw/zinc/37/31/72/972373172.db2.gz OOFCNQYEHFCERJ-UAGQMJEPSA-N -1 0 348.418 3.610 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1 ZINC001594394543 958758310 /nfs/dbraw/zinc/75/83/10/958758310.db2.gz UYMVCHNCKOYIMQ-GOSISDBHSA-N -1 0 336.391 3.649 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2ccc(C(F)F)c(F)c2)C(=O)[O-])c1 ZINC001594395356 958765991 /nfs/dbraw/zinc/76/59/91/958765991.db2.gz ZRCXKRXJADHIRL-CQSZACIVSA-N -1 0 337.297 3.627 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)c1sccc1-n1cccc1)C(=O)[O-] ZINC001573423924 958784005 /nfs/dbraw/zinc/78/40/05/958784005.db2.gz FJCXJWAABAPIBY-GFCCVEGCSA-N -1 0 334.441 3.548 20 0 EHADRM Cc1ccc(NC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1C(F)(F)F ZINC000263064017 1125468872 /nfs/dbraw/zinc/46/88/72/1125468872.db2.gz FWDQCNNHCNBSLS-KOLCDFICSA-N -1 0 344.333 3.588 20 0 EHADRM CC(C)[C@@H](C(=O)Nc1ccc(O)c(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001573484371 958984058 /nfs/dbraw/zinc/98/40/58/958984058.db2.gz HPXKGHUAPAEBJW-MRXNPFEDSA-N -1 0 331.343 3.608 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)NC(=O)Nc1cccnc1C(=O)[O-] ZINC001573489241 958995083 /nfs/dbraw/zinc/99/50/83/958995083.db2.gz BSSCQVGYOFGKNE-LJQANCHMSA-N -1 0 341.411 3.559 20 0 EHADRM Cc1ccccc1[C@@H]1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1 ZINC001594416829 959010963 /nfs/dbraw/zinc/01/09/63/959010963.db2.gz LWCFMEAVMVGUJK-DLBZAZTESA-N -1 0 346.471 3.631 20 0 EHADRM CSC[C@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001594185396 959119890 /nfs/dbraw/zinc/11/98/90/959119890.db2.gz IDQONMWURKUTGK-IUCAKERBSA-N -1 0 327.471 3.509 20 0 EHADRM CC(C)Cc1ccccc1C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001573543409 959193537 /nfs/dbraw/zinc/19/35/37/959193537.db2.gz BUNROSHVSALZMY-NRFANRHFSA-N -1 0 339.435 3.657 20 0 EHADRM CC[C@H](NC(=O)CC1(CC(=O)[O-])CCCC1)c1ccccc1OC ZINC000392109569 972410711 /nfs/dbraw/zinc/41/07/11/972410711.db2.gz QDPXSQLEPZIEEK-HNNXBMFYSA-N -1 0 333.428 3.688 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc(CSCc2ccccc2)c1)C(=O)[O-] ZINC001594203658 959261008 /nfs/dbraw/zinc/26/10/08/959261008.db2.gz FRGYKAMSZNABBD-CYBMUJFWSA-N -1 0 344.436 3.715 20 0 EHADRM CC(C)c1cccc(CNC(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC001573564554 959278999 /nfs/dbraw/zinc/27/89/99/959278999.db2.gz IDEXXINMEPIMAH-UHFFFAOYSA-N -1 0 326.396 3.508 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)CCC2 ZINC001573566111 959287736 /nfs/dbraw/zinc/28/77/36/959287736.db2.gz ABHTVFGBDCKWGY-WMZOPIPTSA-N -1 0 344.455 3.694 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)CSCc1ccc(C(C)(C)C)cc1)C1CC1 ZINC001588584572 959292124 /nfs/dbraw/zinc/29/21/24/959292124.db2.gz KVYZXJQBLZNXOE-ZDUSSCGKSA-N -1 0 349.496 3.681 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)CSc1ccc(C(C)(C)C)cc1)C1CC1 ZINC001588584863 959295898 /nfs/dbraw/zinc/29/58/98/959295898.db2.gz QKXJCZNPMDUCGH-GFCCVEGCSA-N -1 0 335.469 3.540 20 0 EHADRM Cc1nc(-c2ccccc2NC(=O)NC2(C(=O)[O-])CCCC2)cs1 ZINC001594445711 959326639 /nfs/dbraw/zinc/32/66/39/959326639.db2.gz ACWRAVUWZMYSHB-UHFFFAOYSA-N -1 0 345.424 3.637 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCc3cc(C(=O)[O-])ccc32)o1 ZINC000392214258 972427238 /nfs/dbraw/zinc/42/72/38/972427238.db2.gz ULNJNZURCIUWBP-MLGOLLRUSA-N -1 0 339.391 3.623 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001594450050 959362638 /nfs/dbraw/zinc/36/26/38/959362638.db2.gz ZFHDQOBOZZGFGK-LLVKDONJSA-N -1 0 326.462 3.584 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OCCCCC1CCOCC1 ZINC000392187051 972423891 /nfs/dbraw/zinc/42/38/91/972423891.db2.gz SIFCATMOVJGRQT-VURMDHGXSA-N -1 0 334.412 3.769 20 0 EHADRM Cc1nc(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])sc1-c1ccccc1 ZINC001594456309 959419824 /nfs/dbraw/zinc/41/98/24/959419824.db2.gz KIOBBMUFEHXBHB-ZDUSSCGKSA-N -1 0 347.440 3.739 20 0 EHADRM O=C([O-])c1coc(C(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000183768085 959445337 /nfs/dbraw/zinc/44/53/37/959445337.db2.gz OATVJORJPXSNHN-QGZVFWFLSA-N -1 0 339.322 3.636 20 0 EHADRM O=C([O-])c1coc(C(=O)N2CC3(CCCC3)c3c2cccc3F)c1 ZINC000183780300 959449678 /nfs/dbraw/zinc/44/96/78/959449678.db2.gz ZNLFHOYSSXKCAA-UHFFFAOYSA-N -1 0 329.327 3.589 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1cc(C(=O)[O-])co1 ZINC000183809433 959452325 /nfs/dbraw/zinc/45/23/25/959452325.db2.gz CWTFADCVUAAPHT-MRVPVSSYSA-N -1 0 342.178 3.646 20 0 EHADRM CN(Cc1ccccc1C(F)(F)F)C(=O)CC(C)(C)CC(=O)[O-] ZINC000190612931 959513838 /nfs/dbraw/zinc/51/38/38/959513838.db2.gz TZPXFIIBPREFQE-UHFFFAOYSA-N -1 0 331.334 3.555 20 0 EHADRM Cc1cc(NC(=O)CC(C)(C)CC(=O)[O-])ccc1OCC(F)(F)F ZINC000190650311 959515939 /nfs/dbraw/zinc/51/59/39/959515939.db2.gz OLLWKUGPNVATCH-UHFFFAOYSA-N -1 0 347.333 3.766 20 0 EHADRM CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)CC(C)(C)CC(=O)[O-] ZINC000190651396 959516394 /nfs/dbraw/zinc/51/63/94/959516394.db2.gz JQJOKQFQYLJIGJ-CYBMUJFWSA-N -1 0 345.443 3.685 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)C(F)(F)c2ccccc2)cc1)C(=O)[O-] ZINC000191387629 959556452 /nfs/dbraw/zinc/55/64/52/959556452.db2.gz SBHHBCVRSCEFSU-GFCCVEGCSA-N -1 0 333.334 3.680 20 0 EHADRM Cc1ccc(OCC(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c(C)c1 ZINC000191400874 959560614 /nfs/dbraw/zinc/56/06/14/959560614.db2.gz WQVDYJNTVVTWHS-HNNXBMFYSA-N -1 0 341.407 3.584 20 0 EHADRM COc1cc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)ccc1C ZINC000191429985 959566227 /nfs/dbraw/zinc/56/62/27/959566227.db2.gz KSMSPVCMVYBZJW-ZDUSSCGKSA-N -1 0 327.380 3.519 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2ccn(C3CCCC3)n2)cc1)C(=O)[O-] ZINC000191447194 959569401 /nfs/dbraw/zinc/56/94/01/959569401.db2.gz VAAJKIIBFOXZIR-CYBMUJFWSA-N -1 0 341.411 3.514 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)C2CCC(F)(F)CC2)cc1)C(=O)[O-] ZINC000191447359 959570226 /nfs/dbraw/zinc/57/02/26/959570226.db2.gz WUSYQWYYOHQEHK-LLVKDONJSA-N -1 0 325.355 3.714 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2ccc3ccccc3n2)cc1)C(=O)[O-] ZINC000191447221 959570525 /nfs/dbraw/zinc/57/05/25/959570525.db2.gz NUJBZROTRRYUTK-ZDUSSCGKSA-N -1 0 334.375 3.750 20 0 EHADRM Cc1c(-c2cc(CSCc3ccc(C(=O)[O-])cc3)on2)cnn1C ZINC001594254210 959641854 /nfs/dbraw/zinc/64/18/54/959641854.db2.gz UWQWRFHGMBTBJT-UHFFFAOYSA-N -1 0 343.408 3.515 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC001594256456 959648668 /nfs/dbraw/zinc/64/86/68/959648668.db2.gz CUUXJXGRIJTMLO-OTYXRUKQSA-N -1 0 335.400 3.674 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001594259626 959683725 /nfs/dbraw/zinc/68/37/25/959683725.db2.gz RSWUXWYHRVETIA-NSHDSACASA-N -1 0 339.351 3.717 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)Nc1n[nH]cc1C(=O)[O-] ZINC001594260715 959694090 /nfs/dbraw/zinc/69/40/90/959694090.db2.gz RJYLCMCXEXUEPE-UHFFFAOYSA-N -1 0 335.319 3.568 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1cc(Br)ccc1Cl ZINC001573666989 959696214 /nfs/dbraw/zinc/69/62/14/959696214.db2.gz DMGHYFKCUAVQBO-CYBMUJFWSA-N -1 0 346.608 3.542 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)/C=C\c1ccnc2ccccc12)C(=O)[O-] ZINC001588645188 959727694 /nfs/dbraw/zinc/72/76/94/959727694.db2.gz JEJOPKFQIUVALD-XZVRFQMRSA-N -1 0 340.423 3.644 20 0 EHADRM C[C@]1(CCNC(=O)Nc2cccc(CCC(=O)[O-])c2)C[C@]1(F)Cl ZINC001573683130 959737497 /nfs/dbraw/zinc/73/74/97/959737497.db2.gz AZIHDRSMQZHDKC-JKSUJKDBSA-N -1 0 342.798 3.530 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)CCc1cnc2ccccc2c1)C(=O)[O-] ZINC001588650589 959762063 /nfs/dbraw/zinc/76/20/63/959762063.db2.gz MOVJNUQGLYHZFU-KRWDZBQOSA-N -1 0 342.439 3.563 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC001573697917 959795912 /nfs/dbraw/zinc/79/59/12/959795912.db2.gz GYSCWZYDUNDCJF-DZJNRPSUSA-N -1 0 329.440 3.530 20 0 EHADRM O=C([O-])c1coc(C(=O)Nc2cc(Cl)ccc2Br)c1 ZINC000228150664 959993133 /nfs/dbraw/zinc/99/31/33/959993133.db2.gz USSIYJUTYSUXRW-UHFFFAOYSA-N -1 0 344.548 3.646 20 0 EHADRM C[C@@H]1CCCN(C(=O)c2cccc(SC(F)(F)F)c2)[C@@H]1C(=O)[O-] ZINC001573725492 960400897 /nfs/dbraw/zinc/40/08/97/960400897.db2.gz FSADDXNTTZMDDW-SKDRFNHKSA-N -1 0 347.358 3.624 20 0 EHADRM C[C@@H]1CCN(C(=O)NCC2CC(C)(C)CC(C)(C)C2)C[C@H]1C(=O)[O-] ZINC001573726708 960413669 /nfs/dbraw/zinc/41/36/69/960413669.db2.gz QPXUKXYTKVEVNR-UKRRQHHQSA-N -1 0 338.492 3.591 20 0 EHADRM COc1ccccc1C1(C(=O)N[C@H](CC(C)C)C(=O)[O-])CCCCC1 ZINC001574236876 960435043 /nfs/dbraw/zinc/43/50/43/960435043.db2.gz IEKMIWUFIJWUNC-MRXNPFEDSA-N -1 0 347.455 3.513 20 0 EHADRM C[C@H](C(=O)Nc1ccc(Br)cc1C(=O)[O-])c1ccccc1 ZINC000235449455 960435242 /nfs/dbraw/zinc/43/52/42/960435242.db2.gz VWVWHTRDAQLYGG-JTQLQIEISA-N -1 0 348.196 3.890 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC000235512219 960446362 /nfs/dbraw/zinc/44/63/62/960446362.db2.gz ZUSWBVMLEAMIBH-LPEHRKFASA-N -1 0 330.211 3.672 20 0 EHADRM C[C@H]1CN(C(=O)[C@]2(C(=O)[O-])CC=CCC2)CCc2ccc(Cl)cc21 ZINC001573738970 960475186 /nfs/dbraw/zinc/47/51/86/960475186.db2.gz MGYRGGIPKWDANP-DJJJIMSYSA-N -1 0 347.842 3.639 20 0 EHADRM C[C@@H]1Cc2c(C(=O)[O-])c(NC(=O)Cc3ccccc3)sc2[C@@H](C)O1 ZINC001573747589 960508653 /nfs/dbraw/zinc/50/86/53/960508653.db2.gz QDLZUQPCDJAOHU-GHMZBOCLSA-N -1 0 345.420 3.650 20 0 EHADRM Cn1c2ccc(C(=O)[O-])cc2nc1-c1csc(Br)c1 ZINC000236090014 960548895 /nfs/dbraw/zinc/54/88/95/960548895.db2.gz BTWBZPSJUXSINF-UHFFFAOYSA-N -1 0 337.198 3.763 20 0 EHADRM C[C@@H](NC(=O)/C(=C\c1cccc(Cl)c1)c1cccs1)C(=O)[O-] ZINC001574259974 960564619 /nfs/dbraw/zinc/56/46/19/960564619.db2.gz SGECIYIBXRJFDD-PEHNMLCRSA-N -1 0 335.812 3.531 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c2ccc(F)cc2n1 ZINC001253147668 960645692 /nfs/dbraw/zinc/64/56/92/960645692.db2.gz REZHCVKVUYWFRW-UHFFFAOYSA-N -1 0 342.301 3.772 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1nc(-c2ccccc2)oc1C1CC1 ZINC000236584908 960710833 /nfs/dbraw/zinc/71/08/33/960710833.db2.gz HUXITWNWYKBYPC-UHFFFAOYSA-N -1 0 342.395 3.592 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(F)cc1F ZINC000236636939 960721197 /nfs/dbraw/zinc/72/11/97/960721197.db2.gz RYYUIURQMUMSLV-UHFFFAOYSA-N -1 0 335.306 3.703 20 0 EHADRM CCCCCCOc1ccc(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])cc1 ZINC000236663600 960727714 /nfs/dbraw/zinc/72/77/14/960727714.db2.gz CMGOUBORIYKZDN-SJORKVTESA-N -1 0 333.428 3.629 20 0 EHADRM CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCCCCCC(=O)[O-] ZINC000236711308 960739698 /nfs/dbraw/zinc/73/96/98/960739698.db2.gz ZZLKAKHYPJATMF-UHFFFAOYSA-N -1 0 341.835 3.649 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1(C)C ZINC000236744943 960749681 /nfs/dbraw/zinc/74/96/81/960749681.db2.gz XZQGBJXPVRZECQ-NVXWUHKLSA-N -1 0 331.412 3.717 20 0 EHADRM Cc1cc(Br)cc(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)c1 ZINC001574308029 960755340 /nfs/dbraw/zinc/75/53/40/960755340.db2.gz RWJLWCYWIBYEBO-ZDUSSCGKSA-N -1 0 340.217 3.587 20 0 EHADRM CC(C)(C)c1ncsc1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000236771551 960756134 /nfs/dbraw/zinc/75/61/34/960756134.db2.gz ONZHHNFZNDQKMH-UHFFFAOYSA-N -1 0 332.425 3.710 20 0 EHADRM CC(C)c1ccc(-c2nc(C(=O)NCC(C)(C)C(=O)[O-])cs2)cc1 ZINC000236785966 960757507 /nfs/dbraw/zinc/75/75/07/960757507.db2.gz CHWQCUTZEKLETC-UHFFFAOYSA-N -1 0 346.452 3.774 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000236825840 960765715 /nfs/dbraw/zinc/76/57/15/960765715.db2.gz PJOOYERHZJQWFZ-UHFFFAOYSA-N -1 0 348.830 3.684 20 0 EHADRM CCC(CC)(CNC(=O)C1(c2cccc(F)c2)CCCC1)C(=O)[O-] ZINC000236828195 960767734 /nfs/dbraw/zinc/76/77/34/960767734.db2.gz RAFHZARHXUIUBK-UHFFFAOYSA-N -1 0 335.419 3.645 20 0 EHADRM CCCCC[C@@H](NC(=O)c1sc(C2CCCC2)nc1C)C(=O)[O-] ZINC000236849656 960774700 /nfs/dbraw/zinc/77/47/00/960774700.db2.gz LWUYRKUXKAWWNW-CYBMUJFWSA-N -1 0 338.473 3.872 20 0 EHADRM CCC[C@@H](NC(=O)c1cc(SC)c(Cl)cc1Cl)C(=O)[O-] ZINC000236883440 960789291 /nfs/dbraw/zinc/78/92/91/960789291.db2.gz ONDSIAHGCJBTOR-SNVBAGLBSA-N -1 0 336.240 3.698 20 0 EHADRM CCCc1cc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)sc1C ZINC000236895452 960791895 /nfs/dbraw/zinc/79/18/95/960791895.db2.gz ZGLNHXWMXJFJRZ-UHFFFAOYSA-N -1 0 331.437 3.979 20 0 EHADRM CCC[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000236998183 960831240 /nfs/dbraw/zinc/83/12/40/960831240.db2.gz CMSVEJVXLCINLA-GWCFXTLKSA-N -1 0 347.333 3.653 20 0 EHADRM CCC[C@H](C)CC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000237002233 960832183 /nfs/dbraw/zinc/83/21/83/960832183.db2.gz XFOAURQFPAHGPW-LBPRGKRZSA-N -1 0 328.412 3.577 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000237006572 960832985 /nfs/dbraw/zinc/83/29/85/960832985.db2.gz AQNRARZRQQAFMP-KRWDZBQOSA-N -1 0 327.380 3.798 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC000237066433 960862094 /nfs/dbraw/zinc/86/20/94/960862094.db2.gz RYMQNZXGJXDHQK-UHFFFAOYSA-N -1 0 342.782 3.792 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000237112889 960872804 /nfs/dbraw/zinc/87/28/04/960872804.db2.gz XEJUVAACUKTDNT-QLJPJBMISA-N -1 0 346.254 3.932 20 0 EHADRM CCn1c(C(=O)N[C@H](CC(=O)[O-])c2cccs2)cc2ccccc21 ZINC000237199517 960886714 /nfs/dbraw/zinc/88/67/14/960886714.db2.gz CPQMHPUGTWTMQF-CYBMUJFWSA-N -1 0 342.420 3.669 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000237256857 960894202 /nfs/dbraw/zinc/89/42/02/960894202.db2.gz MCIXJTUNHPMGDL-UHFFFAOYSA-N -1 0 332.227 3.639 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)N1CCC[C@](CC)(C(=O)[O-])C1 ZINC001573812858 960912115 /nfs/dbraw/zinc/91/21/15/960912115.db2.gz HGNKRXFQSNCPPP-YJBOKZPZSA-N -1 0 335.469 3.661 20 0 EHADRM Cc1ccsc1CNC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000237378761 960921740 /nfs/dbraw/zinc/92/17/40/960921740.db2.gz KGBGYFPXCADTET-LLVKDONJSA-N -1 0 335.450 3.552 20 0 EHADRM C[C@@H](CN(C)C(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2)C(=O)[O-] ZINC000237410481 960929341 /nfs/dbraw/zinc/92/93/41/960929341.db2.gz GXCHBLYVDFFFCX-AAEUAGOBSA-N -1 0 337.485 3.692 20 0 EHADRM C/C(=C/C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-])c1ccccc1 ZINC000237487900 960944033 /nfs/dbraw/zinc/94/40/33/960944033.db2.gz WYBXZRNFZZXDSP-NOCRFKNCSA-N -1 0 337.419 3.839 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1cc2ccccc2[nH]1)C(=O)[O-] ZINC000237492424 960946304 /nfs/dbraw/zinc/94/63/04/960946304.db2.gz IMQSFWFSFGIKKV-AWEZNQCLSA-N -1 0 336.391 3.531 20 0 EHADRM Cc1ccccc1OCCCC(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000237550881 960957640 /nfs/dbraw/zinc/95/76/40/960957640.db2.gz VLPNZCRZLKFHRZ-AWEZNQCLSA-N -1 0 347.436 3.548 20 0 EHADRM Cc1ccc(CNC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])s1 ZINC000237558433 960960969 /nfs/dbraw/zinc/96/09/69/960960969.db2.gz VGNGNQGHIGXYSB-NSHDSACASA-N -1 0 335.450 3.552 20 0 EHADRM CC(C)(C)c1ccc(C2(C(=O)NCc3ccc(C(=O)[O-])o3)CC2)cc1 ZINC001319856064 960962996 /nfs/dbraw/zinc/96/29/96/960962996.db2.gz HHFQJBSYFUAWNY-UHFFFAOYSA-N -1 0 341.407 3.623 20 0 EHADRM Cc1ccc(-c2ccc(CNc3cnn(CC(=O)[O-])c3)s2)cc1 ZINC001574347143 960968019 /nfs/dbraw/zinc/96/80/19/960968019.db2.gz BVBQWLYTCRGKBJ-UHFFFAOYSA-N -1 0 327.409 3.617 20 0 EHADRM Cc1cc(/C=C/C(=O)N2CC[C@@H](C(=O)[O-])C2)c(C)n1C1CCCCC1 ZINC000237643029 960984342 /nfs/dbraw/zinc/98/43/42/960984342.db2.gz UTNXMCVAWLZHDF-KBOKABMXSA-N -1 0 344.455 3.556 20 0 EHADRM Cc1ccc(-c2cc(C(=O)NCCC(=O)[O-])c3ccccc3n2)c(C)c1 ZINC000237704473 961001512 /nfs/dbraw/zinc/00/15/12/961001512.db2.gz YEGSLLQOAIWIMP-UHFFFAOYSA-N -1 0 348.402 3.723 20 0 EHADRM Cc1ccc(CCCCC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000237701533 961001945 /nfs/dbraw/zinc/00/19/45/961001945.db2.gz AEMVVZLXHOVXLI-SFHVURJKSA-N -1 0 331.456 3.811 20 0 EHADRM CC[C@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC[C@H]1c1ccccc1 ZINC001573829796 961004880 /nfs/dbraw/zinc/00/48/80/961004880.db2.gz GKJWBJBMKNKKHN-DZJNRPSUSA-N -1 0 329.440 3.530 20 0 EHADRM Cc1nc(-c2ccccc2)sc1CNC(=O)CC(C)(C)CC(=O)[O-] ZINC000237714468 961006022 /nfs/dbraw/zinc/00/60/22/961006022.db2.gz NRZVDQUDLBDOJY-UHFFFAOYSA-N -1 0 346.452 3.626 20 0 EHADRM C[C@H]1CCc2[nH]c3ccc(C(=O)NCCCCCC(=O)[O-])cc3c2C1 ZINC000237715880 961006928 /nfs/dbraw/zinc/00/69/28/961006928.db2.gz DTAAVWYRQUBHSQ-ZDUSSCGKSA-N -1 0 342.439 3.668 20 0 EHADRM Cc1cc(C(=O)NCCCCCCC(=O)[O-])c(C)n1Cc1ccco1 ZINC001322667458 961013316 /nfs/dbraw/zinc/01/33/16/961013316.db2.gz MHJXGJURCDQBEW-UHFFFAOYSA-N -1 0 346.427 3.511 20 0 EHADRM Cc1ccc2[nH]c(C(=O)NCC3(C(=O)[O-])CCCC3)c(Cl)c2c1 ZINC001323486858 961015790 /nfs/dbraw/zinc/01/57/90/961015790.db2.gz HAGVYLNCQTYPKD-UHFFFAOYSA-N -1 0 334.803 3.505 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(C(=O)[O-])c2)c(C)n1-c1nccs1 ZINC000237793611 961026339 /nfs/dbraw/zinc/02/63/39/961026339.db2.gz HZSAIXYWYUXUIU-UHFFFAOYSA-N -1 0 341.392 3.501 20 0 EHADRM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001574361575 961029691 /nfs/dbraw/zinc/02/96/91/961029691.db2.gz OISDJOGXIPSQRM-BGTYHANMSA-N -1 0 344.455 3.731 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1ccc(C(=O)[O-])s1 ZINC000237903269 961040423 /nfs/dbraw/zinc/04/04/23/961040423.db2.gz CAWXKCQWKMWJGY-LLVKDONJSA-N -1 0 333.409 3.791 20 0 EHADRM COc1ccc2cc(C(=O)Nc3cccc(CC(=O)[O-])c3)ccc2c1 ZINC001324647473 961041018 /nfs/dbraw/zinc/04/10/18/961041018.db2.gz XTSIPWAZMHLYCC-UHFFFAOYSA-N -1 0 335.359 3.728 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2C[C@]23CCc2ccccc23)cc1 ZINC001325142460 961052328 /nfs/dbraw/zinc/05/23/28/961052328.db2.gz DRTCTHWIUBGHMK-IPJJNNNSSA-N -1 0 349.430 3.531 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(CCc2cccc(F)c2)C2CCCC2)o1 ZINC000237966839 961057631 /nfs/dbraw/zinc/05/76/31/961057631.db2.gz LKAOJCXHXRMXLJ-UHFFFAOYSA-N -1 0 345.370 3.744 20 0 EHADRM O=C([O-])c1cccc(CN2CC(Cc3c(F)cccc3Cl)C2)c1 ZINC001325611315 961060005 /nfs/dbraw/zinc/06/00/05/961060005.db2.gz SATPJMUWBGRYEV-UHFFFAOYSA-N -1 0 333.790 3.852 20 0 EHADRM CCCCC1CCC(C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)CC1 ZINC001573840273 961063442 /nfs/dbraw/zinc/06/34/42/961063442.db2.gz FKIIDPRROVSFIU-UHFFFAOYSA-N -1 0 335.448 3.638 20 0 EHADRM CCCCCC[C@H](O)CCC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC001573840619 961067595 /nfs/dbraw/zinc/06/75/95/961067595.db2.gz ILNQPUZDZIIEFM-RDJZCZTQSA-N -1 0 347.455 3.703 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000238003215 961070922 /nfs/dbraw/zinc/07/09/22/961070922.db2.gz BBDTZFLSEVSEAB-LLVKDONJSA-N -1 0 344.238 3.639 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)c2cc3ccccc3s2)c1 ZINC000238037743 961084901 /nfs/dbraw/zinc/08/49/01/961084901.db2.gz YFPZBEYORFJBCH-UHFFFAOYSA-N -1 0 327.361 3.617 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000238103273 961096863 /nfs/dbraw/zinc/09/68/63/961096863.db2.gz MQSGGDRDLFNYMJ-UHFFFAOYSA-N -1 0 341.260 3.724 20 0 EHADRM O=C([O-])[C@@H](c1ccccc1)N1CCO[C@H](c2ccc(Cl)s2)C1 ZINC001326503547 961103410 /nfs/dbraw/zinc/10/34/10/961103410.db2.gz VIEJFSBSBMQMOD-SWLSCSKDSA-N -1 0 337.828 3.601 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000238127826 961117452 /nfs/dbraw/zinc/11/74/52/961117452.db2.gz JRNIQNXLKJVSBX-UHFFFAOYSA-N -1 0 335.297 3.609 20 0 EHADRM O=C([O-])CCCCCNC(=O)C1(c2cccc(Cl)c2)CCCC1 ZINC000238137957 961121728 /nfs/dbraw/zinc/12/17/28/961121728.db2.gz SZNHEIHPKHULPF-UHFFFAOYSA-N -1 0 337.847 3.913 20 0 EHADRM CCCN(CC)c1ccc(C(=O)NCc2ccccc2C(=O)[O-])cc1 ZINC001573855058 961146658 /nfs/dbraw/zinc/14/66/58/961146658.db2.gz SQKUJOTUIJQRNY-UHFFFAOYSA-N -1 0 340.423 3.551 20 0 EHADRM Cc1ccccc1CN(Cc1ccccc1)C(=O)CCCC(=O)[O-] ZINC001327208790 961151059 /nfs/dbraw/zinc/15/10/59/961151059.db2.gz PMDNRLIHZPHBPI-UHFFFAOYSA-N -1 0 325.408 3.779 20 0 EHADRM O=C([O-])[C@@H](c1ccccc1Cl)N1CC[C@H](Oc2ccccc2)C1 ZINC001327340952 961152787 /nfs/dbraw/zinc/15/27/87/961152787.db2.gz KZZAKAGCHVXCDZ-WMLDXEAASA-N -1 0 331.799 3.619 20 0 EHADRM CCCOc1ccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1OCCC ZINC001573862077 961176277 /nfs/dbraw/zinc/17/62/77/961176277.db2.gz JAWRSXGBPWZGQI-UONOGXRCSA-N -1 0 349.427 3.704 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2ccc(C(=O)[O-])cc2)c2ccccn2)c1 ZINC001574390815 961177453 /nfs/dbraw/zinc/17/74/53/961177453.db2.gz FJWCDPQONHOSCC-LJQANCHMSA-N -1 0 346.386 3.608 20 0 EHADRM Cc1cccc([C@H](NCc2sccc2Br)C(=O)[O-])c1 ZINC001574394850 961200346 /nfs/dbraw/zinc/20/03/46/961200346.db2.gz GEXCPBHAAUDELR-ZDUSSCGKSA-N -1 0 340.242 3.735 20 0 EHADRM Cc1cccc(OC(F)F)c1NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001574397240 961215646 /nfs/dbraw/zinc/21/56/46/961215646.db2.gz LPHHUXOFHNOERU-WAYWQWQTSA-N -1 0 337.278 3.540 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1c1nc(-c2ccccc2)nc2ccccc21 ZINC001328607196 961218361 /nfs/dbraw/zinc/21/83/61/961218361.db2.gz WKSFPJBZGCKPGE-UKRRQHHQSA-N -1 0 333.391 3.596 20 0 EHADRM CC(C)(CCNC(=O)C1(c2ccccc2)CC2(CCC2)C1)C(=O)[O-] ZINC001588767661 961249809 /nfs/dbraw/zinc/24/98/09/961249809.db2.gz QZCXQOMLABXAEZ-UHFFFAOYSA-N -1 0 329.440 3.506 20 0 EHADRM CCc1cc2c(CC(=O)N(C)C(C)(C)CC(=O)[O-])csc2s1 ZINC001329657642 961291593 /nfs/dbraw/zinc/29/15/93/961291593.db2.gz SXIZIIZAIFCCQD-UHFFFAOYSA-N -1 0 339.482 3.779 20 0 EHADRM CC(C)(C)c1ccccc1C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000261605516 961382827 /nfs/dbraw/zinc/38/28/27/961382827.db2.gz CQDHHNXWLUBNHT-MRXNPFEDSA-N -1 0 325.408 3.582 20 0 EHADRM COc1ccc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c(C(=O)[O-])c1 ZINC000261719982 961389615 /nfs/dbraw/zinc/38/96/15/961389615.db2.gz QOICOLJMJLZWSR-VHSXEESVSA-N -1 0 345.317 3.701 20 0 EHADRM CC[C@H]1c2ccsc2CCN1C(=O)Cc1ccccc1C(=O)[O-] ZINC000261911728 961399107 /nfs/dbraw/zinc/39/91/07/961399107.db2.gz QIUVVSKLFNPJEF-HNNXBMFYSA-N -1 0 329.421 3.525 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)CCSc2ccccc2Cl)C1 ZINC000261968432 961403430 /nfs/dbraw/zinc/40/34/30/961403430.db2.gz PTYIIQOJACUBRW-INIZCTEOSA-N -1 0 341.860 3.536 20 0 EHADRM O=C([O-])CCCCCNC(=O)C1(c2ccc(F)cc2)CCCCC1 ZINC000261980676 961405318 /nfs/dbraw/zinc/40/53/18/961405318.db2.gz HUFMQGLVHBRFJZ-UHFFFAOYSA-N -1 0 335.419 3.789 20 0 EHADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)CCCSc1ccc(Cl)cc1 ZINC000262047256 961416239 /nfs/dbraw/zinc/41/62/39/961416239.db2.gz CMCQNHRQKGGDNV-SMDDNHRTSA-N -1 0 341.860 3.534 20 0 EHADRM CC(C)(C)Cc1nc2cc(NC(=O)c3ccc(C(=O)[O-])o3)ccc2o1 ZINC000262100915 961458551 /nfs/dbraw/zinc/45/85/51/961458551.db2.gz DMOKAAYGFRSHJU-UHFFFAOYSA-N -1 0 342.351 3.960 20 0 EHADRM Cc1cc(CCCC(=O)NCCc2cccc(C(=O)[O-])c2)c(C)s1 ZINC000262104152 961461699 /nfs/dbraw/zinc/46/16/99/961461699.db2.gz FWOGDAQCIFNIHH-UHFFFAOYSA-N -1 0 345.464 3.745 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)NC[C@H](c1ccc(Cl)cc1)C(C)C ZINC001588805384 961476710 /nfs/dbraw/zinc/47/67/10/961476710.db2.gz VYPLFNYMWLWPTB-LSDHHAIUSA-N -1 0 325.836 3.553 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000262121552 961478048 /nfs/dbraw/zinc/47/80/48/961478048.db2.gz JRSSSCNORYMOHW-MJGOQNOKSA-N -1 0 337.419 3.770 20 0 EHADRM CCOc1c(Cl)cccc1NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001573918658 961507880 /nfs/dbraw/zinc/50/78/80/961507880.db2.gz ARKBCDNQHRIWMM-VQHVLOKHSA-N -1 0 335.743 3.682 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(NCCc2ccccc2)cc1 ZINC001588809297 961510180 /nfs/dbraw/zinc/51/01/80/961510180.db2.gz KAQHUMMQVGDLDA-GOSISDBHSA-N -1 0 340.423 3.637 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1 ZINC001588809389 961512429 /nfs/dbraw/zinc/51/24/29/961512429.db2.gz OUWIZMUCPRQHBM-JTQLQIEISA-N -1 0 339.697 3.534 20 0 EHADRM Cc1ccccc1C(C)(C)CNC(=O)CCc1ccccc1C(=O)[O-] ZINC000262179321 961527047 /nfs/dbraw/zinc/52/70/47/961527047.db2.gz MEYOJDRFWQRHNR-UHFFFAOYSA-N -1 0 339.435 3.720 20 0 EHADRM CC(C)[C@@H](CCc1ccccc1)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001588815386 961568866 /nfs/dbraw/zinc/56/88/66/961568866.db2.gz OCXJEZRXEFPNCC-QZTJIDSGSA-N -1 0 331.456 3.605 20 0 EHADRM CC[C@H](NC(=O)CCc1ccccc1C(=O)[O-])c1ccc(F)cc1F ZINC000262274018 961610955 /nfs/dbraw/zinc/61/09/55/961610955.db2.gz YMEBYNKCIBDZIT-KRWDZBQOSA-N -1 0 347.361 3.863 20 0 EHADRM CCc1ccc([C@@H](C)NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC001573956634 961673902 /nfs/dbraw/zinc/67/39/02/961673902.db2.gz JMDMLRPYEGLRAQ-GDBMZVCRSA-N -1 0 332.444 3.596 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)c(C)n1CC1CC1 ZINC001333519791 961712002 /nfs/dbraw/zinc/71/20/02/961712002.db2.gz FMFFQISIRKXZDE-HNNXBMFYSA-N -1 0 346.452 3.522 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@@H]2SCCc3sccc32)c1 ZINC000262427859 961714146 /nfs/dbraw/zinc/71/41/46/961714146.db2.gz RXGQLJXHWURIIY-MRXNPFEDSA-N -1 0 347.461 3.734 20 0 EHADRM CCc1oc2ccccc2c1CC(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC001573970583 961720881 /nfs/dbraw/zinc/72/08/81/961720881.db2.gz RNCKZEVACSTFAD-UHFFFAOYSA-N -1 0 339.347 3.580 20 0 EHADRM C[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1)c1ccc(F)cc1 ZINC000262594226 961783829 /nfs/dbraw/zinc/78/38/29/961783829.db2.gz IMNFXZAUHGGTRR-YVEFUNNKSA-N -1 0 347.361 3.791 20 0 EHADRM C[C@H](CC(=O)N(C)C(C)(C)CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC001334657578 961809184 /nfs/dbraw/zinc/80/91/84/961809184.db2.gz ZULCTOILXZFBEI-LBPRGKRZSA-N -1 0 325.836 3.620 20 0 EHADRM C[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)[C@@H]1c1cccc(F)c1 ZINC000262716728 961823374 /nfs/dbraw/zinc/82/33/74/961823374.db2.gz NWGCAJMWRFDIKV-WBOJAVRRSA-N -1 0 333.403 3.626 20 0 EHADRM Cc1cccc(C2(C(=O)Nc3ccc(C[C@@H](C)C(=O)[O-])cc3)CC2)c1 ZINC000262763721 961856257 /nfs/dbraw/zinc/85/62/57/961856257.db2.gz KQLPUUIDSSFTSW-OAHLLOKOSA-N -1 0 337.419 3.929 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)CCCc2ccsc2)c2ccccc21 ZINC001574524249 961867098 /nfs/dbraw/zinc/86/70/98/961867098.db2.gz IXPROZROWMIPHL-JKSUJKDBSA-N -1 0 329.421 3.500 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC000262828742 961894492 /nfs/dbraw/zinc/89/44/92/961894492.db2.gz BCCSZRKQEIOGFO-NWDGAFQWSA-N -1 0 345.370 3.502 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c(C)c1 ZINC000262844111 961909636 /nfs/dbraw/zinc/90/96/36/961909636.db2.gz SMJBGUAJNDADOG-ZDUSSCGKSA-N -1 0 327.380 3.519 20 0 EHADRM CC(C)C[C@H](CNC(=O)C[C@H]1CCC[C@H](C(F)(F)F)C1)C(=O)[O-] ZINC001588848546 961912768 /nfs/dbraw/zinc/91/27/68/961912768.db2.gz URGUYDKCFXOBKL-XQQFMLRXSA-N -1 0 337.382 3.608 20 0 EHADRM C[C@@H](C(=O)N1CCc2ccc(C(=O)[O-])cc2C1)c1ccc(Cl)s1 ZINC000262854211 961919801 /nfs/dbraw/zinc/91/98/01/961919801.db2.gz CGIWINUJUBEKHS-SNVBAGLBSA-N -1 0 349.839 3.788 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cccc(C)c1Br ZINC000262861986 961928161 /nfs/dbraw/zinc/92/81/61/961928161.db2.gz DJHUSYVITLCQJS-UHFFFAOYSA-N -1 0 342.233 3.521 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)c(Cl)c2c1 ZINC001336242959 961955540 /nfs/dbraw/zinc/95/55/40/961955540.db2.gz LBCHKJHCGKRATE-GFCCVEGCSA-N -1 0 336.819 3.749 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccnc(-c2ccccc2)c1)C(=O)[O-] ZINC001588855028 961966942 /nfs/dbraw/zinc/96/69/42/961966942.db2.gz UHRNKKJJHIAJBP-OAHLLOKOSA-N -1 0 341.411 3.617 20 0 EHADRM CC(C)(CCNC(=O)Cc1cc2c(ccc3ccccc23)o1)C(=O)[O-] ZINC000262896277 961972845 /nfs/dbraw/zinc/97/28/45/961972845.db2.gz DJBRQHMREHCMEN-UHFFFAOYSA-N -1 0 339.391 3.746 20 0 EHADRM CCc1sc(C(=O)N[C@@H](C)c2ccc(OCC(=O)[O-])cc2)cc1C ZINC000262907750 961986827 /nfs/dbraw/zinc/98/68/27/961986827.db2.gz DIZDVCICGXEVKK-LBPRGKRZSA-N -1 0 347.436 3.573 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)c2ccc(Cl)c(F)c2)c2ccccc21 ZINC001574557305 961996596 /nfs/dbraw/zinc/99/65/96/961996596.db2.gz IUEQAHWJUOZQCZ-DOMZBBRYSA-N -1 0 333.746 3.522 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2cccc(-n3cccc3)c2)c2ccccc21 ZINC001574558168 962002755 /nfs/dbraw/zinc/00/27/55/962002755.db2.gz OOUZNGNEAXPVNC-RTBURBONSA-N -1 0 346.386 3.520 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)c1cc(Cl)c2ccccc2n1 ZINC001574576185 962076141 /nfs/dbraw/zinc/07/61/41/962076141.db2.gz BHQYFPZCKVUBRR-UHFFFAOYSA-N -1 0 340.766 3.516 20 0 EHADRM CC(C)CN(CC(C)C)C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001588871064 962080166 /nfs/dbraw/zinc/08/01/66/962080166.db2.gz LSEJTWKVCLLPRD-SJORKVTESA-N -1 0 332.444 3.623 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)ccc2o1 ZINC000262993895 962085076 /nfs/dbraw/zinc/08/50/76/962085076.db2.gz VYACWNNLXAGURO-HAQNSBGRSA-N -1 0 344.411 3.955 20 0 EHADRM C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCCCCC(=O)[O-] ZINC001340495416 962098932 /nfs/dbraw/zinc/09/89/32/962098932.db2.gz ZOVJTCZSQLXLBN-RDJZCZTQSA-N -1 0 332.444 3.609 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H](C)CC2CCCCC2)cc1 ZINC001340565522 962103054 /nfs/dbraw/zinc/10/30/54/962103054.db2.gz ZBUPSEGYPGKEDO-RDTXWAMCSA-N -1 0 347.455 3.934 20 0 EHADRM CC(C)CON(CC1CCCCC1)C(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC001588875392 962109817 /nfs/dbraw/zinc/10/98/17/962109817.db2.gz GGSBSFPCNGOBAY-OAHLLOKOSA-N -1 0 327.465 3.730 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC000263024177 962133665 /nfs/dbraw/zinc/13/36/65/962133665.db2.gz UGMXQHOBQOGOCX-SNVBAGLBSA-N -1 0 345.420 3.832 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)NC2(c3ccc(Cl)cc3)CCC2)c1 ZINC001574599790 962156284 /nfs/dbraw/zinc/15/62/84/962156284.db2.gz WZDDCWIUYIRPDR-UHFFFAOYSA-N -1 0 345.786 3.634 20 0 EHADRM Cc1ccc(O[C@H](C)C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cc1 ZINC000263041063 962164002 /nfs/dbraw/zinc/16/40/02/962164002.db2.gz DAKVZOMZMHIDNN-UONOGXRCSA-N -1 0 327.380 3.589 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)Nc2ccc(C(=O)[O-])c(OC)c2)c1 ZINC000263042165 962166851 /nfs/dbraw/zinc/16/68/51/962166851.db2.gz VUMYUDSOYXYTKZ-LBPRGKRZSA-N -1 0 343.379 3.534 20 0 EHADRM CC(C)C[C@@H](NC(=O)Nc1ccc(COC(C)(C)C)cc1)C(=O)[O-] ZINC001588884340 962168611 /nfs/dbraw/zinc/16/86/11/962168611.db2.gz RQTULWZNSNGORC-OAHLLOKOSA-N -1 0 336.432 3.623 20 0 EHADRM CCCCC[C@H](C)CC(=O)N1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001344539801 962191997 /nfs/dbraw/zinc/19/19/97/962191997.db2.gz AYHQATCAWLIIGM-ZDUSSCGKSA-N -1 0 336.432 3.685 20 0 EHADRM C[C@H]1CN(C(=O)C2(c3cccs3)CCCCC2)CC[C@H]1C(=O)[O-] ZINC000263059495 962197769 /nfs/dbraw/zinc/19/77/69/962197769.db2.gz SOWZXNZPBPTQNT-UONOGXRCSA-N -1 0 335.469 3.519 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1)C1CC1 ZINC001574616934 962226490 /nfs/dbraw/zinc/22/64/90/962226490.db2.gz LYEHYQGHSLDOOZ-INIZCTEOSA-N -1 0 329.327 3.667 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC001574621179 962249696 /nfs/dbraw/zinc/24/96/96/962249696.db2.gz MSSQMRCIZJPMFN-JFIYKMOQSA-N -1 0 341.382 3.652 20 0 EHADRM CC(C)(CCNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000263099886 962250842 /nfs/dbraw/zinc/25/08/42/962250842.db2.gz UATPMXALHCGWCM-DLBZAZTESA-N -1 0 325.408 3.560 20 0 EHADRM COCc1cc(NC(=O)CCCc2ccc(C)s2)cc(C(=O)[O-])c1 ZINC000263108695 962260048 /nfs/dbraw/zinc/26/00/48/962260048.db2.gz POFBYPQFKFGGAV-UHFFFAOYSA-N -1 0 347.436 3.863 20 0 EHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)CCc2ccoc2)cc1 ZINC000263115044 962266939 /nfs/dbraw/zinc/26/69/39/962266939.db2.gz JZXYRTKFNVIOCF-QGZVFWFLSA-N -1 0 343.423 3.842 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)cc1 ZINC001588905956 962270679 /nfs/dbraw/zinc/27/06/79/962270679.db2.gz BQWILAUVOBZBPN-RLFYNMQTSA-N -1 0 331.456 3.700 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000263127526 962281002 /nfs/dbraw/zinc/28/10/02/962281002.db2.gz FSEMESQCDYFGIK-JKSUJKDBSA-N -1 0 327.355 3.503 20 0 EHADRM COCc1cc(NC(=O)[C@@H]2C[C@H]2c2sccc2C)cc(C(=O)[O-])c1 ZINC000263129095 962282652 /nfs/dbraw/zinc/28/26/52/962282652.db2.gz SRXVXLKUDFTBTK-HUUCEWRRSA-N -1 0 345.420 3.643 20 0 EHADRM CC(C)Cc1ccccc1CNC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588906542 962287167 /nfs/dbraw/zinc/28/71/67/962287167.db2.gz OSEBRMTWIOBCMI-MRXNPFEDSA-N -1 0 346.471 3.672 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2SCCc3sccc32)cc1 ZINC000263173577 962325654 /nfs/dbraw/zinc/32/56/54/962325654.db2.gz GGJYDLWRKPYKQL-MEBBXXQBSA-N -1 0 347.461 3.905 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ncc(Cc3ccccc3)s2)CCCCC1 ZINC001574640735 962348842 /nfs/dbraw/zinc/34/88/42/962348842.db2.gz HFNMFOYCVNRFCQ-UHFFFAOYSA-N -1 0 344.436 3.708 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ncc(C(F)(F)F)s2)CCCCCC1 ZINC001574641258 962355000 /nfs/dbraw/zinc/35/50/00/962355000.db2.gz QBHLYSBSZLNZLJ-UHFFFAOYSA-N -1 0 336.335 3.526 20 0 EHADRM CC(C)N(Cc1cccc(F)c1)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001588920276 962367668 /nfs/dbraw/zinc/36/76/68/962367668.db2.gz FPBINIPHNZWYPZ-CLFYSBASSA-N -1 0 331.343 3.567 20 0 EHADRM CC(C)c1cccc(OCC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)c1 ZINC000263212908 962368652 /nfs/dbraw/zinc/36/86/52/962368652.db2.gz NSEKQZGBPZLHQG-UHFFFAOYSA-N -1 0 345.370 3.594 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N1CCC[C@H](C2CCCC2)C1 ZINC001346383362 962370992 /nfs/dbraw/zinc/37/09/92/962370992.db2.gz QGYIVWSNUPKRPF-KRWDZBQOSA-N -1 0 329.440 3.746 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)c2ccc(C(=O)[O-])o2)c(F)c1 ZINC001346540152 962374734 /nfs/dbraw/zinc/37/47/34/962374734.db2.gz JPNLKLNPSNAVOI-UHFFFAOYSA-N -1 0 335.331 3.794 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3CC[C@@H](C(=O)[O-])[C@@H]3C)c(F)c2)cc1 ZINC000263228358 962379388 /nfs/dbraw/zinc/37/93/88/962379388.db2.gz RTMJRXDOCKEYIJ-XJKSGUPXSA-N -1 0 341.382 3.736 20 0 EHADRM CC(C)[C@@H](NC(=O)NCCCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000263256935 962398164 /nfs/dbraw/zinc/39/81/64/962398164.db2.gz PTFUTNMWUVJTBO-CQSZACIVSA-N -1 0 346.349 3.567 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263267640 962405164 /nfs/dbraw/zinc/40/51/64/962405164.db2.gz HRUGCHAZNAFNST-UHFFFAOYSA-N -1 0 335.400 3.722 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)C[C@H]2OCCc3ccccc32)cc1 ZINC000263295180 962437741 /nfs/dbraw/zinc/43/77/41/962437741.db2.gz MWQVVTXDXSBSSR-SCLBCKFNSA-N -1 0 339.391 3.517 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)C[C@H]2OCCc3ccccc32)cc1 ZINC000263295177 962437867 /nfs/dbraw/zinc/43/78/67/962437867.db2.gz MWQVVTXDXSBSSR-FZKQIMNGSA-N -1 0 339.391 3.517 20 0 EHADRM Cc1ccc2c(c1)S[C@@H](C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1)C2 ZINC001348492440 962448638 /nfs/dbraw/zinc/44/86/38/962448638.db2.gz KRDFSQOCGROZMW-SJKOYZFVSA-N -1 0 341.432 3.839 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N2CCC[C@H]2CCc2ccccc2)cc1 ZINC000263330513 962477187 /nfs/dbraw/zinc/47/71/87/962477187.db2.gz LWDYGQXUMHGLKY-IBGZPJMESA-N -1 0 337.419 3.551 20 0 EHADRM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000263366887 962525683 /nfs/dbraw/zinc/52/56/83/962525683.db2.gz WKLWLRZHUBUGAX-FZKQIMNGSA-N -1 0 341.382 3.676 20 0 EHADRM COc1cc(C[N@H+](C)Cc2cccc(C(=O)[O-])c2)ccc1SC ZINC000263378489 962537401 /nfs/dbraw/zinc/53/74/01/962537401.db2.gz CIOZCOYHFMJOGV-UHFFFAOYSA-N -1 0 331.437 3.747 20 0 EHADRM CC1(C)CCCC[C@@H]1CC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000263482924 962668633 /nfs/dbraw/zinc/66/86/33/962668633.db2.gz BAGLJIMULSULPW-NVXWUHKLSA-N -1 0 329.440 3.804 20 0 EHADRM C[C@H]1CC[C@H](c2ccccc2)N(C(=O)NC2CCC(C(=O)[O-])CC2)C1 ZINC000263492502 962675573 /nfs/dbraw/zinc/67/55/73/962675573.db2.gz RQHGSHVRNPKHPC-IWCVFHTOSA-N -1 0 344.455 3.813 20 0 EHADRM CC(C)c1nc(C(=O)N2CCCc3cc(C(=O)[O-])ccc32)cs1 ZINC001588975017 962687173 /nfs/dbraw/zinc/68/71/73/962687173.db2.gz RGOTWFWCPLEGQG-UHFFFAOYSA-N -1 0 330.409 3.558 20 0 EHADRM CC(C)c1nc2cc(NC(=O)N3C[C@@H](C(=O)[O-])CC[C@@H]3C)ccc2o1 ZINC001588975642 962693045 /nfs/dbraw/zinc/69/30/45/962693045.db2.gz YXFIBUAYJRZCLQ-RYUDHWBXSA-N -1 0 345.399 3.668 20 0 EHADRM CC(C)c1nc2cc(NC(=O)N3C[C@H](C(=O)[O-])CC[C@H]3C)ccc2o1 ZINC001588975644 962695640 /nfs/dbraw/zinc/69/56/40/962695640.db2.gz YXFIBUAYJRZCLQ-VXGBXAGGSA-N -1 0 345.399 3.668 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000263528815 962710278 /nfs/dbraw/zinc/71/02/78/962710278.db2.gz LJYZCNDSSVLSPY-WBVHZDCISA-N -1 0 327.355 3.590 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)cc1 ZINC000263531255 962712561 /nfs/dbraw/zinc/71/25/61/962712561.db2.gz MLVYKWJEWUZQQI-FUHWJXTLSA-N -1 0 341.382 3.519 20 0 EHADRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(C(F)F)c1 ZINC000263558191 962728503 /nfs/dbraw/zinc/72/85/03/962728503.db2.gz ZXBDDJXATNKCPE-INIZCTEOSA-N -1 0 347.361 3.830 20 0 EHADRM O=C([O-])CC1(CC(=O)N2CCC(Nc3ccccc3)CC2)CCCC1 ZINC001517468932 962809630 /nfs/dbraw/zinc/80/96/30/962809630.db2.gz ZXRORHIHPNWHNQ-UHFFFAOYSA-N -1 0 344.455 3.515 20 0 EHADRM O=C([O-])CNc1nc(C2CC2)nc2scc(-c3ccccc3)c21 ZINC001574727140 962819580 /nfs/dbraw/zinc/81/95/80/962819580.db2.gz QAFMNBHLRYSPOL-UHFFFAOYSA-N -1 0 325.393 3.732 20 0 EHADRM C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2O)cc1 ZINC000153417843 1125484528 /nfs/dbraw/zinc/48/45/28/1125484528.db2.gz CUBAAPGITNTIAC-HZMBPMFUSA-N -1 0 344.798 3.892 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)CCSc1ccccc1Cl ZINC000263376718 1125485143 /nfs/dbraw/zinc/48/51/43/1125485143.db2.gz WSGXGIJRRKBTTL-VXGBXAGGSA-N -1 0 341.860 3.534 20 0 EHADRM C[C@@H]1OCC[C@H]1SCc1ccc(C(=O)[O-])cc1Br ZINC000300442146 963006613 /nfs/dbraw/zinc/00/66/13/963006613.db2.gz UOKQUCYUEYRCJZ-QPUJVOFHSA-N -1 0 331.231 3.558 20 0 EHADRM CCCC[C@H](C)C(=O)Nc1cc(Br)ccc1C(=O)[O-] ZINC000302351098 963077457 /nfs/dbraw/zinc/07/74/57/963077457.db2.gz KCHTVIRYFUXWDA-VIFPVBQESA-N -1 0 328.206 3.912 20 0 EHADRM Cc1oc(CNC(=O)N[C@H]2CCCC23CCCCC3)cc1C(=O)[O-] ZINC000313070668 963616946 /nfs/dbraw/zinc/61/69/46/963616946.db2.gz IZRQQTWQDCAODK-HNNXBMFYSA-N -1 0 334.416 3.588 20 0 EHADRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)Cc1ccccc1 ZINC000314473900 963758167 /nfs/dbraw/zinc/75/81/67/963758167.db2.gz OAYLQWPJDQZDOS-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM O=C([O-])CC1(CNC(=O)CSCc2cccs2)CCCCC1 ZINC000315349603 963886645 /nfs/dbraw/zinc/88/66/45/963886645.db2.gz OTAHTVSJKYQWES-UHFFFAOYSA-N -1 0 341.498 3.523 20 0 EHADRM CCC(CC)(CNC(=O)N[C@@H](C)c1ccccc1Cl)C(=O)[O-] ZINC000316554712 964024203 /nfs/dbraw/zinc/02/42/03/964024203.db2.gz DEKZOKGKRZRTLQ-NSHDSACASA-N -1 0 326.824 3.591 20 0 EHADRM Cc1c(C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)sc2cccc(F)c12 ZINC000261618927 967806066 /nfs/dbraw/zinc/80/60/66/967806066.db2.gz BYCWBDXSECIHKM-ONGXEEELSA-N -1 0 335.400 3.532 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)Nc2ccc(Cl)cc2F)Cc2ccccc21 ZINC000325725699 968039504 /nfs/dbraw/zinc/03/95/04/968039504.db2.gz NYYCABCQWXZAKK-ZDUSSCGKSA-N -1 0 348.761 3.695 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)CC1 ZINC000364193717 968055887 /nfs/dbraw/zinc/05/58/87/968055887.db2.gz FDOQURYBSOQJRT-QZTJIDSGSA-N -1 0 337.419 3.657 20 0 EHADRM CCC(CC)(CNC(=O)N(Cc1cccc(F)c1)C(C)C)C(=O)[O-] ZINC000424410766 968364390 /nfs/dbraw/zinc/36/43/90/968364390.db2.gz IXBROOCUCHBWDX-UHFFFAOYSA-N -1 0 338.423 3.637 20 0 EHADRM CCC(CC)(CNC(=O)c1ccc2ccc(Cl)cc2n1)C(=O)[O-] ZINC000431778916 968373211 /nfs/dbraw/zinc/37/32/11/968373211.db2.gz OPMARDMQFMGHLS-UHFFFAOYSA-N -1 0 334.803 3.509 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cc3cccc(Cl)c3s2)C1 ZINC000566973837 968431118 /nfs/dbraw/zinc/43/11/18/968431118.db2.gz IHDYMIKAPSVLGS-MWLCHTKSSA-N -1 0 337.828 3.738 20 0 EHADRM Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)[C@@H](C(=O)[O-])C(C)C ZINC000578656499 968466575 /nfs/dbraw/zinc/46/65/75/968466575.db2.gz YZYCQTWKRSYZNA-RISCZKNCSA-N -1 0 346.452 3.653 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)[C@@]3(C(=O)[O-])CC=CCC3)cc2)oc1C ZINC000653293626 968642452 /nfs/dbraw/zinc/64/24/52/968642452.db2.gz BQFRSYAJASIMOL-LJQANCHMSA-N -1 0 340.379 3.708 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)Cc2ccc3c(c2)CCCC3)c2ccccc21 ZINC000653333738 968665942 /nfs/dbraw/zinc/66/59/42/968665942.db2.gz SPADIXUKXXPXOO-PMACEKPBSA-N -1 0 349.430 3.537 20 0 EHADRM C[C@@H](NC(=O)Nc1cc(Cl)ccc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653534278 968670405 /nfs/dbraw/zinc/67/04/05/968670405.db2.gz FUQNIHDWQSRYPH-DVVUODLYSA-N -1 0 342.798 3.736 20 0 EHADRM C[C@@H](NC(=O)Cc1ccc2ccccc2c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655583396 968687961 /nfs/dbraw/zinc/68/79/61/968687961.db2.gz HCEBCFNWONQFRH-JEBQAFNWSA-N -1 0 339.435 3.634 20 0 EHADRM O=C([O-])[C@@H](C(=O)N1CC[C@H](CSc2ccccc2)C1)C1CCCC1 ZINC000656851441 968722110 /nfs/dbraw/zinc/72/21/10/968722110.db2.gz BENZMJSVFUKJCB-WMLDXEAASA-N -1 0 347.480 3.518 20 0 EHADRM CSc1cc(N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)nc(SC)n1 ZINC000662884461 968759417 /nfs/dbraw/zinc/75/94/17/968759417.db2.gz UNTDFEHIVQMHSF-NWDGAFQWSA-N -1 0 347.465 3.646 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(CCC(F)(F)F)cc2)CC=CC1 ZINC000663075240 968787514 /nfs/dbraw/zinc/78/75/14/968787514.db2.gz HRLVJPCWEUYWBE-UHFFFAOYSA-N -1 0 327.302 3.541 20 0 EHADRM CC[C@@H](C)[C@@H](C)NC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666522930 968838937 /nfs/dbraw/zinc/83/89/37/968838937.db2.gz MQXMCKAZDAQZQJ-ZIAGYGMSSA-N -1 0 332.444 3.708 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)CCc2ccc(F)c3ccccc23)CC1 ZINC000864130330 969320430 /nfs/dbraw/zinc/32/04/30/969320430.db2.gz IFJMFGBRMMWXHL-UHFFFAOYSA-N -1 0 343.398 3.625 20 0 EHADRM CCSc1ccccc1CC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000902026330 969508637 /nfs/dbraw/zinc/50/86/37/969508637.db2.gz LOZSUYXZWKCNOP-AEGPPILISA-N -1 0 349.496 3.593 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1F ZINC001319355138 969698329 /nfs/dbraw/zinc/69/83/29/969698329.db2.gz BBDUECWOYGEUFL-JTQLQIEISA-N -1 0 335.762 3.739 20 0 EHADRM CCc1cnc(CNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])s1 ZINC000318664294 970459269 /nfs/dbraw/zinc/45/92/69/970459269.db2.gz UFGLYSJQZSTZQN-UHFFFAOYSA-N -1 0 341.776 3.577 20 0 EHADRM CCc1cc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc(Cl)n1 ZINC000318913892 970488127 /nfs/dbraw/zinc/48/81/27/970488127.db2.gz UTZCOEOUHMIPSM-UHFFFAOYSA-N -1 0 339.178 3.901 20 0 EHADRM C=CCOc1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000319511008 970542715 /nfs/dbraw/zinc/54/27/15/970542715.db2.gz DGKORSAWLVDSGE-UHFFFAOYSA-N -1 0 331.755 3.855 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)c1ccc(Cl)nc1Cl ZINC000319515157 970544152 /nfs/dbraw/zinc/54/41/52/970544152.db2.gz KSKQIFPGPXDVHK-NSHDSACASA-N -1 0 345.226 3.542 20 0 EHADRM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000319571353 970549983 /nfs/dbraw/zinc/54/99/83/970549983.db2.gz MCIMINWOGQWCAD-NSHDSACASA-N -1 0 333.771 3.753 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)c2c(F)cccc2Cl)c1F ZINC000319737059 970566841 /nfs/dbraw/zinc/56/68/41/970566841.db2.gz SRNLUDFKKXNWLH-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM O=C([O-])c1cccc(OCc2nnc(-c3ccccc3Cl)o2)c1 ZINC000319737285 970566893 /nfs/dbraw/zinc/56/68/93/970566893.db2.gz XILYTJJDKZIXPO-UHFFFAOYSA-N -1 0 330.727 3.667 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)c1cc(Cl)ccc1F ZINC000319832485 970576889 /nfs/dbraw/zinc/57/68/89/970576889.db2.gz LDSKXBGKJHZQJD-UHFFFAOYSA-N -1 0 333.746 3.770 20 0 EHADRM CCc1cc2c(ncnc2NCCc2ccc(C(=O)[O-])cc2)s1 ZINC000319928004 970591450 /nfs/dbraw/zinc/59/14/50/970591450.db2.gz AKBLZCUDRHZMSK-UHFFFAOYSA-N -1 0 327.409 3.607 20 0 EHADRM O=C([O-])c1sc2cccc(F)c2c1Cn1nnc2ccccc21 ZINC000320024589 970603159 /nfs/dbraw/zinc/60/31/59/970603159.db2.gz ORDMUVBYJHAHDM-UHFFFAOYSA-N -1 0 327.340 3.532 20 0 EHADRM Cc1nn(C)c2sc(C(=O)Nc3sc(C)c(C)c3C(=O)[O-])cc12 ZINC000320646221 970690261 /nfs/dbraw/zinc/69/02/61/970690261.db2.gz JBBXKIYUFALGCQ-UHFFFAOYSA-N -1 0 349.437 3.572 20 0 EHADRM Cc1cc(C(=O)[O-])c(NC(=O)Cc2coc3cc(C)ccc23)s1 ZINC000320871953 970723866 /nfs/dbraw/zinc/72/38/66/970723866.db2.gz RWJBYHUIWVXABA-UHFFFAOYSA-N -1 0 329.377 3.991 20 0 EHADRM C[C@H](c1ccc(C(=O)Nc2cncc(C(=O)[O-])c2)cc1)C(F)(F)F ZINC001603287485 972534768 /nfs/dbraw/zinc/53/47/68/972534768.db2.gz YHGMVUJOLBBVFZ-SECBINFHSA-N -1 0 338.285 3.698 20 0 EHADRM C[C@@H](OC(=O)C1(CC(=O)[O-])CCC1)c1cccc(OC(F)F)c1 ZINC001604998595 972592743 /nfs/dbraw/zinc/59/27/43/972592743.db2.gz LISCVSKDJDFVMR-SNVBAGLBSA-N -1 0 328.311 3.537 20 0 EHADRM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccnc1C(=O)[O-] ZINC001604187127 972612487 /nfs/dbraw/zinc/61/24/87/972612487.db2.gz GFGXUBSRFIZPQZ-UHFFFAOYSA-N -1 0 341.411 3.741 20 0 EHADRM O=C(Nc1cccc(COC2CCCCC2)c1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605860670 972612488 /nfs/dbraw/zinc/61/24/88/972612488.db2.gz KSZNSTLMARIISF-FZNQNYSPSA-N -1 0 346.427 3.521 20 0 EHADRM O=C([O-])c1cc(NC(=O)NC2(c3ccccc3Cl)CCC2)ccn1 ZINC001605867993 972628206 /nfs/dbraw/zinc/62/82/06/972628206.db2.gz CAQGZIJLOHSUOJ-UHFFFAOYSA-N -1 0 345.786 3.634 20 0 EHADRM O=C([O-])[C@H](C(=O)N1CCC[C@@H](c2ccccc2)CC1)C1CCCC1 ZINC001605892359 972692059 /nfs/dbraw/zinc/69/20/59/972692059.db2.gz BLPPEUJPRIZHKM-AEFFLSMTSA-N -1 0 329.440 3.674 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC001605077406 972713633 /nfs/dbraw/zinc/71/36/33/972713633.db2.gz VMRWTRZAGMMFEZ-YMTOWFKASA-N -1 0 335.400 3.674 20 0 EHADRM Cc1cc(-c2csc(NC(=O)[C@]3(C(=O)[O-])CC3(C)C)n2)ccc1F ZINC001605092995 972745217 /nfs/dbraw/zinc/74/52/17/972745217.db2.gz UOSZNGUTURDGHK-KRWDZBQOSA-N -1 0 348.399 3.697 20 0 EHADRM COc1cc(F)cc(NC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c1 ZINC000396361434 972864896 /nfs/dbraw/zinc/86/48/96/972864896.db2.gz IWNRXOPQRCPGKF-JTQLQIEISA-N -1 0 332.331 3.666 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NCc2ccccc2Cl)cc1 ZINC000396422621 972879147 /nfs/dbraw/zinc/87/91/47/972879147.db2.gz FCRWUPBRURGTOU-NSHDSACASA-N -1 0 332.787 3.850 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc3oc(C4CC4)nc3c2)CCCCC1 ZINC001605942141 972889052 /nfs/dbraw/zinc/88/90/52/972889052.db2.gz LZHPLQVEAAIJEJ-UHFFFAOYSA-N -1 0 328.368 3.679 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1 ZINC000396507923 972910068 /nfs/dbraw/zinc/91/00/68/972910068.db2.gz QRNIGPMRKCFNIP-SNVBAGLBSA-N -1 0 335.306 3.728 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)CCOc2ccccc2Cl)cc1 ZINC000396612140 972922682 /nfs/dbraw/zinc/92/26/82/972922682.db2.gz HNONFYMSRDFBES-GFCCVEGCSA-N -1 0 347.798 3.936 20 0 EHADRM C[C@@H]1C[C@@H](CC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC(C)(C)C1 ZINC001603375815 972928850 /nfs/dbraw/zinc/92/88/50/972928850.db2.gz HPUCGCADFCVTDV-PVAVHDDUSA-N -1 0 331.456 3.651 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)COc2ccccc2Cl)cc1 ZINC000396656664 972932050 /nfs/dbraw/zinc/93/20/50/972932050.db2.gz WOWWCOIRINRVCX-NSHDSACASA-N -1 0 333.771 3.546 20 0 EHADRM CC(C)[C@@H](CNC(=O)N[C@@H]1C[C@H](c2ccccc2)C[C@H](C)C1)C(=O)[O-] ZINC001603380172 972946022 /nfs/dbraw/zinc/94/60/22/972946022.db2.gz LBTYNDAFFKGQBX-XOYOTBSWSA-N -1 0 346.471 3.615 20 0 EHADRM Cc1ccc(-c2cnc(NC(=O)N(C)C[C@H](C)C(=O)[O-])s2)c(C)c1 ZINC001605231946 972983826 /nfs/dbraw/zinc/98/38/26/972983826.db2.gz SBELRNDCKRRHMK-LBPRGKRZSA-N -1 0 347.440 3.611 20 0 EHADRM Cc1cc2scc(CC(=O)N3C[C@H](C(=O)[O-])CC[C@@H]3C)c2s1 ZINC001605232627 972986188 /nfs/dbraw/zinc/98/61/88/972986188.db2.gz BILHZYYUAYPKTM-GXSJLCMTSA-N -1 0 337.466 3.525 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1cccc(SC(F)F)c1 ZINC001603388115 972987200 /nfs/dbraw/zinc/98/72/00/972987200.db2.gz FMXHYTOEEHEBEH-NXEZZACHSA-N -1 0 344.383 3.718 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1ccccc1OC1CCCC1 ZINC001603388880 972996830 /nfs/dbraw/zinc/99/68/30/972996830.db2.gz SHSWPPVSJBLSGX-UONOGXRCSA-N -1 0 346.427 3.725 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)N2CCC3(CCCC3)CC2)c2ccccc21 ZINC001605976474 972998319 /nfs/dbraw/zinc/99/83/19/972998319.db2.gz AEGWVHCJWBDESP-IRXDYDNUSA-N -1 0 342.439 3.665 20 0 EHADRM Cc1ccc(C2(CNC(=O)C3(C(=O)[O-])CC=CC3)CCCC2)c(C)c1 ZINC001605262389 973038350 /nfs/dbraw/zinc/03/83/50/973038350.db2.gz GGEAXKDDTBQRAF-UHFFFAOYSA-N -1 0 341.451 3.652 20 0 EHADRM Cc1ccc([C@@H]2CCN(C(=O)Nc3ccccc3CC(=O)[O-])C2)cc1 ZINC001605263607 973043295 /nfs/dbraw/zinc/04/32/95/973043295.db2.gz ZPCCPKSJVNZHHZ-QGZVFWFLSA-N -1 0 338.407 3.644 20 0 EHADRM C[C@H]1CCCN(C(=O)CCc2ccc(F)c3ccccc23)[C@@H]1C(=O)[O-] ZINC001603407892 973076679 /nfs/dbraw/zinc/07/66/79/973076679.db2.gz WTENOHIGFDZYFS-DJJJIMSYSA-N -1 0 343.398 3.623 20 0 EHADRM Cc1ccc2c(ccc(C)c2C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC001605310177 973134981 /nfs/dbraw/zinc/13/49/81/973134981.db2.gz OWASRTNMWUFDGN-DYVFJYSZSA-N -1 0 325.408 3.639 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccc(COC(C)(C)C)cc2)C[C@H]1C(=O)[O-] ZINC001603422022 973137742 /nfs/dbraw/zinc/13/77/42/973137742.db2.gz RFBIKRPHSVYTQT-XJKSGUPXSA-N -1 0 348.443 3.576 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(-c3cccc(F)c3)s2)C[C@@H]1C(=O)[O-] ZINC001603425789 973152638 /nfs/dbraw/zinc/15/26/38/973152638.db2.gz USDMQEOLJJXEIV-FZMZJTMJSA-N -1 0 347.411 3.737 20 0 EHADRM Cc1cccc(C)c1OC[C@H](C)NC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001605335950 973223800 /nfs/dbraw/zinc/22/38/00/973223800.db2.gz VQVGPORAQHGLFL-INIZCTEOSA-N -1 0 347.455 3.612 20 0 EHADRM Cc1ccsc1CCCC(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001605367400 973310775 /nfs/dbraw/zinc/31/07/75/973310775.db2.gz WESLWZXYVWOWGB-AWEZNQCLSA-N -1 0 325.474 3.632 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)CCSc1ccc(C)c(C)c1)C(=O)[O-] ZINC000400755883 973312496 /nfs/dbraw/zinc/31/24/96/973312496.db2.gz XJFVTRGAXLSWIQ-BLLLJJGKSA-N -1 0 337.485 3.791 20 0 EHADRM CO[C@](C)(C(=O)[O-])C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 ZINC001604464466 973335000 /nfs/dbraw/zinc/33/50/00/973335000.db2.gz SDXWZLSHACXXLW-KRWDZBQOSA-N -1 0 349.770 3.561 20 0 EHADRM CO[C@@](C)(C(=O)[O-])C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 ZINC001604464467 973335661 /nfs/dbraw/zinc/33/56/61/973335661.db2.gz SDXWZLSHACXXLW-QGZVFWFLSA-N -1 0 349.770 3.561 20 0 EHADRM CC[C@@H](C)n1nc(NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc1C ZINC001603516811 973536225 /nfs/dbraw/zinc/53/62/25/973536225.db2.gz WZYLQQMBNBFMDG-YPMHNXCESA-N -1 0 338.452 3.564 20 0 EHADRM Cc1sc(CN2CCC[C@H](C)[C@H]2C(=O)[O-])cc1Br ZINC001605461429 973560368 /nfs/dbraw/zinc/56/03/68/973560368.db2.gz YVAXNTBRFMVBDV-UFBFGSQYSA-N -1 0 332.263 3.504 20 0 EHADRM CCC(CC)(CNC(=O)CCc1ccc(F)c2c1CCCC2)C(=O)[O-] ZINC001603532329 973582027 /nfs/dbraw/zinc/58/20/27/973582027.db2.gz LYNWHDBHMLPKJX-UHFFFAOYSA-N -1 0 349.446 3.644 20 0 EHADRM CCC(CC)(CNC(=O)NCC(CC)(CC)C(F)(F)F)C(=O)[O-] ZINC001603535480 973588672 /nfs/dbraw/zinc/58/86/72/973588672.db2.gz RDBHMKGMYKGPKC-UHFFFAOYSA-N -1 0 340.386 3.545 20 0 EHADRM CC[C@@H](CNC(=O)C(C)(C)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001603549812 973613872 /nfs/dbraw/zinc/61/38/72/973613872.db2.gz CKCQFHKIPIYIAP-LBPRGKRZSA-N -1 0 345.361 3.501 20 0 EHADRM O=C([O-])c1cc(Br)ccc1NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403263695 973669448 /nfs/dbraw/zinc/66/94/48/973669448.db2.gz YMDBUQNTOLOBRS-AEJSXWLSSA-N -1 0 338.201 3.522 20 0 EHADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000538011336 1032083533 /nfs/dbraw/zinc/08/35/33/1032083533.db2.gz LCILSSDGQOHKDF-UHFFFAOYSA-N -1 0 331.846 3.828 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N1CCC=C(c2ccccc2)C1 ZINC001606317821 973731710 /nfs/dbraw/zinc/73/17/10/973731710.db2.gz AQBFCCVRULULTN-UHFFFAOYSA-N -1 0 336.391 3.635 20 0 EHADRM CC[C@H](NC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)C1CCCCC1 ZINC001603582921 973746863 /nfs/dbraw/zinc/74/68/63/973746863.db2.gz UFHHKCUVBYIVAJ-PXNSSMCTSA-N -1 0 346.471 3.687 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)CCc2c[nH]c3cc(C)ccc23)C1 ZINC001603593275 973800974 /nfs/dbraw/zinc/80/09/74/973800974.db2.gz FFLMKORIBAMOTF-FQEVSTJZSA-N -1 0 342.439 3.512 20 0 EHADRM CC[C@H](OC(=O)c1coc(/C=C\C(=O)[O-])c1)c1cccc(OC)c1 ZINC001603594018 973815034 /nfs/dbraw/zinc/81/50/34/973815034.db2.gz VCTDVNUODMABMS-PTZVLDCSSA-N -1 0 330.336 3.694 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)[C@H](C)CSCc2ccccc2)C1 ZINC001603594447 973823743 /nfs/dbraw/zinc/82/37/43/973823743.db2.gz WQRQJQYCWDUPOQ-BEFAXECRSA-N -1 0 349.496 3.659 20 0 EHADRM O=C([O-])[C@@H]1CN(CC(F)(F)c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC001606435012 973886266 /nfs/dbraw/zinc/88/62/66/973886266.db2.gz VASTZLOXBFNSON-DLBZAZTESA-N -1 0 349.352 3.718 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)C2(c3cccc(F)c3)CC2)c1 ZINC000414446823 973940029 /nfs/dbraw/zinc/94/00/29/973940029.db2.gz JQUVFVGXBUKZDG-LBPRGKRZSA-N -1 0 327.355 3.684 20 0 EHADRM CC(C)[C@@H](NC(=O)NCCCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000414591217 973940884 /nfs/dbraw/zinc/94/08/84/973940884.db2.gz AZJQWMUNXFEOEE-MRXNPFEDSA-N -1 0 340.851 3.981 20 0 EHADRM CCC[C@@H](CC)C(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)[O-] ZINC001603633096 973957849 /nfs/dbraw/zinc/95/78/49/973957849.db2.gz VQHKLPWFOUTIKQ-SNVBAGLBSA-N -1 0 341.429 3.696 20 0 EHADRM C[C@@H](Cc1ccc(NCc2cncc(Br)c2)cc1)C(=O)[O-] ZINC000417613302 973965196 /nfs/dbraw/zinc/96/51/96/973965196.db2.gz SKLXXEGYUGPFPQ-NSHDSACASA-N -1 0 349.228 3.719 20 0 EHADRM CSCc1cnc(CN[C@@H](CCC(=O)[O-])c2ccccc2)s1 ZINC000417605664 973965620 /nfs/dbraw/zinc/96/56/20/973965620.db2.gz YYOVCTJUXFRWDY-AWEZNQCLSA-N -1 0 336.482 3.702 20 0 EHADRM CCC[C@@H](Cc1ccccc1)NC(=O)NCc1ccccc1C(=O)[O-] ZINC001603634130 973968598 /nfs/dbraw/zinc/96/85/98/973968598.db2.gz YIIQJQBYMSLUIA-KRWDZBQOSA-N -1 0 340.423 3.595 20 0 EHADRM COc1ccc([C@@H](NC(=O)[C@@H](C(=O)[O-])C2CCCC2)C2CCC2)cc1 ZINC001604772821 973994596 /nfs/dbraw/zinc/99/45/96/973994596.db2.gz RHPPRCNRQFNYMD-ROUUACIJSA-N -1 0 345.439 3.544 20 0 EHADRM COc1cc(Cl)c(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])cc1C ZINC000424393742 974027216 /nfs/dbraw/zinc/02/72/16/974027216.db2.gz XDLZWFRINFPXFN-NSHDSACASA-N -1 0 342.823 3.525 20 0 EHADRM C[C@H]1CCCC[C@H]1C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000425242007 974039635 /nfs/dbraw/zinc/03/96/35/974039635.db2.gz BMUILSNDQONTRH-GXTWGEPZSA-N -1 0 339.382 3.594 20 0 EHADRM Cc1ccc(C2CC2)c(C(=O)Nc2ccc(OCC(=O)[O-])cc2)c1 ZINC000425239819 974039880 /nfs/dbraw/zinc/03/98/80/974039880.db2.gz KZENGRPHQHNILG-UHFFFAOYSA-N -1 0 325.364 3.588 20 0 EHADRM O=C([O-])[C@@H](NCc1cc(F)ccc1F)c1ccc(Cl)c(F)c1 ZINC000426754805 974046210 /nfs/dbraw/zinc/04/62/10/974046210.db2.gz UGEFTUNODSTZRY-AWEZNQCLSA-N -1 0 329.705 3.673 20 0 EHADRM COCc1cc(NC(=O)c2ccc3sccc3c2)cc(C(=O)[O-])c1 ZINC000427698556 974055591 /nfs/dbraw/zinc/05/55/91/974055591.db2.gz YUMLRTVKNMSARE-UHFFFAOYSA-N -1 0 341.388 3.998 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000431650007 974070423 /nfs/dbraw/zinc/07/04/23/974070423.db2.gz YDPNEYXQZBTLGB-NSHDSACASA-N -1 0 333.771 3.725 20 0 EHADRM CCCOc1ccc(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1Cl ZINC001603680218 974071339 /nfs/dbraw/zinc/07/13/39/974071339.db2.gz BTGWYLIGGIYRST-MNOVXSKESA-N -1 0 340.807 3.504 20 0 EHADRM O=C([O-])C1(CNC(=O)c2csc(-c3ccccc3)n2)CCCCC1 ZINC000431881369 974077208 /nfs/dbraw/zinc/07/72/08/974077208.db2.gz GFKCSAMXBZOSBO-UHFFFAOYSA-N -1 0 344.436 3.575 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000431996491 974083177 /nfs/dbraw/zinc/08/31/77/974083177.db2.gz XCUWOEKQXDYMFV-LBPRGKRZSA-N -1 0 347.798 3.621 20 0 EHADRM O=C([O-])c1cccnc1NC(=O)CCCc1ccc2c(c1)CCCC2 ZINC001605675976 974085773 /nfs/dbraw/zinc/08/57/73/974085773.db2.gz DYNDIXIBEXGOBI-UHFFFAOYSA-N -1 0 338.407 3.620 20 0 EHADRM C[C@H](CC1CCCC1)C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000432124698 974090566 /nfs/dbraw/zinc/09/05/66/974090566.db2.gz BKUVSYHYXARGTR-CRAIPNDOSA-N -1 0 331.456 3.795 20 0 EHADRM Cc1cccc(C2=CCN(C(=O)c3ccc(C(=O)[O-])cc3F)CC2)c1 ZINC000432130504 974091572 /nfs/dbraw/zinc/09/15/72/974091572.db2.gz REGDMMVMCQJVER-UHFFFAOYSA-N -1 0 339.366 3.762 20 0 EHADRM CC1(C)CC[C@H](CNC(=O)c2ccc(C(=O)[O-])o2)c2ccccc21 ZINC000439716108 974108827 /nfs/dbraw/zinc/10/88/27/974108827.db2.gz HBBKOSPPSNGOSH-GFCCVEGCSA-N -1 0 327.380 3.563 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)CCCc1cccs1)c1cccc(F)c1 ZINC000449006472 974144065 /nfs/dbraw/zinc/14/40/65/974144065.db2.gz YQEDITRWTQDJGE-SFHVURJKSA-N -1 0 349.427 3.716 20 0 EHADRM CCCC[C@H](C)C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000450508441 974145960 /nfs/dbraw/zinc/14/59/60/974145960.db2.gz ZSZTXYNTSAOUNQ-LBPRGKRZSA-N -1 0 327.371 3.594 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)CCCc2cc(F)ccc2F)c2ccccc21 ZINC000450524447 974147223 /nfs/dbraw/zinc/14/72/23/974147223.db2.gz CBEASPJNVDRRKU-HNNXBMFYSA-N -1 0 345.345 3.503 20 0 EHADRM CCN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000466357450 974190555 /nfs/dbraw/zinc/19/05/55/974190555.db2.gz OJJMAGUXDBJOQJ-UHFFFAOYSA-N -1 0 347.436 3.525 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)c2ccc(C(=O)[O-])cc2F)c(C)c1 ZINC000478862534 974214493 /nfs/dbraw/zinc/21/44/93/974214493.db2.gz IAVFPNFMAVIZNX-ZDUSSCGKSA-N -1 0 329.371 3.502 20 0 EHADRM Cc1oc(CN(C)C(=O)/C=C/c2ccc(Cl)s2)cc1C(=O)[O-] ZINC000492184411 974257855 /nfs/dbraw/zinc/25/78/55/974257855.db2.gz URLFHBBVZHJPDM-GQCTYLIASA-N -1 0 339.800 3.673 20 0 EHADRM CCSc1ccccc1C(=O)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC000514704989 974291036 /nfs/dbraw/zinc/29/10/36/974291036.db2.gz ZLULWGLFHBGCST-UHFFFAOYSA-N -1 0 345.420 3.896 20 0 EHADRM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000520612864 974340241 /nfs/dbraw/zinc/34/02/41/974340241.db2.gz ZEIQRMNGXQMQOD-CKEIUWERSA-N -1 0 333.428 3.799 20 0 EHADRM CC(C)c1ncc2c(n1)CCN(Cc1c(Cl)cccc1C(=O)[O-])C2 ZINC000527617017 974352914 /nfs/dbraw/zinc/35/29/14/974352914.db2.gz ACLRYVZJHBMLIM-UHFFFAOYSA-N -1 0 345.830 3.510 20 0 EHADRM CCOc1cccc([C@@H](C)NC(=O)Nc2ccccc2C(=O)[O-])c1 ZINC001603875465 974376346 /nfs/dbraw/zinc/37/63/46/974376346.db2.gz HJBAYOBXPMXDEM-GFCCVEGCSA-N -1 0 328.368 3.666 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)Cc1cccc(C(=O)[O-])c1)C(C)C ZINC000539675711 974398298 /nfs/dbraw/zinc/39/82/98/974398298.db2.gz LEQNLHDTXWPYHQ-LJQANCHMSA-N -1 0 325.408 3.749 20 0 EHADRM Cc1ccc(CCCC(=O)NCC2(CC(=O)[O-])CCCCC2)s1 ZINC000540774309 974407582 /nfs/dbraw/zinc/40/75/82/974407582.db2.gz PSEKHQXTZOFYLR-UHFFFAOYSA-N -1 0 337.485 3.921 20 0 EHADRM CC(C)(NC(=O)c1cc(C(=O)[O-])co1)c1ccc(Cl)c(Cl)c1 ZINC000542765127 974416567 /nfs/dbraw/zinc/41/65/67/974416567.db2.gz OSGDSIFYHVLJLR-UHFFFAOYSA-N -1 0 342.178 3.950 20 0 EHADRM CCc1ccc(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc1CC ZINC001603969799 974459475 /nfs/dbraw/zinc/45/94/75/974459475.db2.gz YOIQTMBIYWJWBH-FQEVSTJZSA-N -1 0 325.408 3.541 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)c1 ZINC000553934795 974480571 /nfs/dbraw/zinc/48/05/71/974480571.db2.gz KOBJETUUCKLULS-UHFFFAOYSA-N -1 0 341.754 3.681 20 0 EHADRM COc1cc(C(=O)[O-])cc(NCc2cc(Cl)ccc2F)c1OC ZINC000559981539 974499478 /nfs/dbraw/zinc/49/94/78/974499478.db2.gz ORXPSDUBAQYBMY-UHFFFAOYSA-N -1 0 339.750 3.807 20 0 EHADRM Cc1oc(CN2CCO[C@@H](c3cccc(Cl)c3)C2)cc1C(=O)[O-] ZINC000563282184 974527612 /nfs/dbraw/zinc/52/76/12/974527612.db2.gz GTTNMCOWDCDMMZ-MRXNPFEDSA-N -1 0 335.787 3.513 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCCC[C@H]1CCCc1ccccc1 ZINC000564226420 974546025 /nfs/dbraw/zinc/54/60/25/974546025.db2.gz XDYPXCUFKMEKCS-WMZOPIPTSA-N -1 0 331.456 3.891 20 0 EHADRM COc1ccc2c(c1)C1(CC1)CN(Cc1ccsc1C(=O)[O-])C2 ZINC000565108329 974573044 /nfs/dbraw/zinc/57/30/44/974573044.db2.gz XONANUITHHLIOR-UHFFFAOYSA-N -1 0 329.421 3.502 20 0 EHADRM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000565366516 974580996 /nfs/dbraw/zinc/58/09/96/974580996.db2.gz SUXNTJSOACDZTJ-MEDUHNTESA-N -1 0 335.787 3.766 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc2ccccc2c1 ZINC000565533659 974583930 /nfs/dbraw/zinc/58/39/30/974583930.db2.gz CDECKZJQZIQQPE-OWYHZJEWSA-N -1 0 337.419 3.908 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCc2cccc(Cl)c2Cl)s1 ZINC000565532246 974584044 /nfs/dbraw/zinc/58/40/44/974584044.db2.gz NZLDHEKSUDXKNR-UHFFFAOYSA-N -1 0 330.192 3.683 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC000566287361 974601093 /nfs/dbraw/zinc/60/10/93/974601093.db2.gz DVXPOWXNYJHPCY-UHFFFAOYSA-N -1 0 344.798 3.549 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(NCCCCOC(C)C)c12 ZINC000566290237 974603454 /nfs/dbraw/zinc/60/34/54/974603454.db2.gz DFPRUAWGOJDMTK-UHFFFAOYSA-N -1 0 337.445 3.623 20 0 EHADRM COc1cccc(-c2nc(CN3CC[C@@H](C)C[C@H]3C(=O)[O-])cs2)c1 ZINC000566367350 974611663 /nfs/dbraw/zinc/61/16/63/974611663.db2.gz DKURSKYVCDNKAV-WBMJQRKESA-N -1 0 346.452 3.504 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1cc(Cl)ccc1OCC1CCC1 ZINC000566927057 974624542 /nfs/dbraw/zinc/62/45/42/974624542.db2.gz TYOPOWCJAFYBGB-NSHDSACASA-N -1 0 339.819 3.958 20 0 EHADRM O=C([O-])[C@@]1(c2ccccc2)CCN(C(=O)CC/C=C\c2ccccc2)C1 ZINC000567504348 974635963 /nfs/dbraw/zinc/63/59/63/974635963.db2.gz KUAXNHNTRNYPKV-KCYOGNPLSA-N -1 0 349.430 3.735 20 0 EHADRM C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000568059209 974654979 /nfs/dbraw/zinc/65/49/79/974654979.db2.gz ZUIXGHDFOGCJDN-PIGZYNQJSA-N -1 0 349.818 3.638 20 0 EHADRM CC[C@H]1CN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CCS1 ZINC000568062970 974658153 /nfs/dbraw/zinc/65/81/53/974658153.db2.gz XOPZNYZKNXCHFC-GWCFXTLKSA-N -1 0 334.268 3.947 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N2CCC[C@H](c3ccccc3)C2)cc1 ZINC000568285623 974666384 /nfs/dbraw/zinc/66/63/84/974666384.db2.gz CMLGVKWLUKNURE-IBGZPJMESA-N -1 0 337.419 3.724 20 0 EHADRM CO[C@H](C)c1nc(CN(CCCC(=O)[O-])Cc2ccccc2)cs1 ZINC000569111793 974684931 /nfs/dbraw/zinc/68/49/31/974684931.db2.gz ZDVNLVPLSZPTMT-CQSZACIVSA-N -1 0 348.468 3.718 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC000569401896 974691274 /nfs/dbraw/zinc/69/12/74/974691274.db2.gz KAHAQQMFPFSPGM-INIZCTEOSA-N -1 0 326.396 3.687 20 0 EHADRM COc1cc(NC(=O)C2(c3ccccc3C)CCC2)ccc1C(=O)[O-] ZINC000569592867 974694684 /nfs/dbraw/zinc/69/46/84/974694684.db2.gz LPJSZZBNNXUJJT-UHFFFAOYSA-N -1 0 339.391 3.762 20 0 EHADRM CCOc1ccc(-c2nc(CN(CC(=O)[O-])CC(C)C)cs2)cc1 ZINC000569612003 974695570 /nfs/dbraw/zinc/69/55/70/974695570.db2.gz OFESOZKAZRKWSF-UHFFFAOYSA-N -1 0 348.468 3.751 20 0 EHADRM Cc1ccccc1[C@H](C(=O)[O-])N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000569700540 974696953 /nfs/dbraw/zinc/69/69/53/974696953.db2.gz AZKQCJYPOXEDOW-KFKAGJAMSA-N -1 0 325.408 3.583 20 0 EHADRM Cc1ccccc1[C@H](C(=O)[O-])N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000569700539 974697086 /nfs/dbraw/zinc/69/70/86/974697086.db2.gz AZKQCJYPOXEDOW-AYOQOUSVSA-N -1 0 325.408 3.583 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000571374193 974727426 /nfs/dbraw/zinc/72/74/26/974727426.db2.gz FYVYYGILJZSCRO-ZDUSSCGKSA-N -1 0 337.847 3.622 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1coc(-c2ccc(Cl)cc2)n1)C1CCC1 ZINC000571658665 974733495 /nfs/dbraw/zinc/73/34/95/974733495.db2.gz PLPPTXFWQZFFSE-NSHDSACASA-N -1 0 334.803 3.823 20 0 EHADRM CCc1ccc([C@H]2CN([C@@H](C(=O)[O-])c3ccsc3)CCO2)cc1 ZINC000572168901 974742825 /nfs/dbraw/zinc/74/28/25/974742825.db2.gz PXIIEYRUZZLZRL-IAGOWNOFSA-N -1 0 331.437 3.510 20 0 EHADRM O=C([N-]c1nnc(C(F)F)s1)c1cc(-c2ccccc2F)on1 ZINC000144602631 1014214073 /nfs/dbraw/zinc/21/40/73/1014214073.db2.gz KWFSEIQSYYHQGY-UHFFFAOYSA-N -1 0 340.286 3.522 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc3c(c2)NC(=O)C3)cc1C(F)(F)F ZINC001211487836 1014215590 /nfs/dbraw/zinc/21/55/90/1014215590.db2.gz RLUDLBWSOSLJMX-UHFFFAOYSA-N -1 0 336.269 3.642 20 0 EHADRM O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)CCCC2CCCC2)C1 ZINC000575871788 974803134 /nfs/dbraw/zinc/80/31/34/974803134.db2.gz QCKTVKUYMLXMDD-HXUWFJFHSA-N -1 0 329.440 3.602 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1csc(-c2ccc(F)cc2)n1)C1CCC1 ZINC000576958809 974826604 /nfs/dbraw/zinc/82/66/04/974826604.db2.gz QXRZYBKLGFKHKT-NSHDSACASA-N -1 0 334.416 3.777 20 0 EHADRM COc1cccc([C@H]2C[C@H](C)CN2c2nc(C(=O)[O-])c(C)s2)c1 ZINC000580452217 974894578 /nfs/dbraw/zinc/89/45/78/974894578.db2.gz UHTBAIUKOARMLL-IINYFYTJSA-N -1 0 332.425 3.746 20 0 EHADRM Cc1ccc(C[C@@H](Sc2ccc(C(F)(F)F)nn2)C(=O)[O-])cc1 ZINC000580785072 974900026 /nfs/dbraw/zinc/90/00/26/974900026.db2.gz NKNAFSWMPXOQLU-LLVKDONJSA-N -1 0 342.342 3.592 20 0 EHADRM Cc1ccc(C[C@H](Sc2nc(C(F)(F)F)ns2)C(=O)[O-])cc1 ZINC000583944978 974948214 /nfs/dbraw/zinc/94/82/14/974948214.db2.gz CSJVZGTZKTXVIB-VIFPVBQESA-N -1 0 348.371 3.653 20 0 EHADRM CCSC1(CNc2nc(C)nc3sc(C(=O)[O-])c(C)c32)CC1 ZINC000595278266 974994552 /nfs/dbraw/zinc/99/45/52/974994552.db2.gz XEWMPEBAGYXYIJ-UHFFFAOYSA-N -1 0 337.470 3.704 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2cccc(CSC3CCCC3)c2)CC1 ZINC000596057995 974999373 /nfs/dbraw/zinc/99/93/73/974999373.db2.gz ATZIROZBTNOAHL-UHFFFAOYSA-N -1 0 348.468 3.849 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000606149468 975016100 /nfs/dbraw/zinc/01/61/00/975016100.db2.gz XWVAHJCLZQHWQT-UHFFFAOYSA-N -1 0 346.452 3.692 20 0 EHADRM CC[C@H](CC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC000621610472 975059254 /nfs/dbraw/zinc/05/92/54/975059254.db2.gz KHQBBRRRVSTRKW-NWDGAFQWSA-N -1 0 332.425 3.602 20 0 EHADRM O=C([O-])[C@]12CN(C(=O)c3cc(Cl)sc3Cl)C[C@H]1CCCC2 ZINC000621614036 975062137 /nfs/dbraw/zinc/06/21/37/975062137.db2.gz XGDQJKRBNCBHER-XLKFXECMSA-N -1 0 348.251 3.772 20 0 EHADRM O=C([O-])c1cnc(C2CCN(Cc3csc(C4CC4)n3)CC2)s1 ZINC000629369071 975086230 /nfs/dbraw/zinc/08/62/30/975086230.db2.gz KXXLGELKWHAFIB-UHFFFAOYSA-N -1 0 349.481 3.555 20 0 EHADRM Cc1ccccc1CO[C@H](C)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000630142558 975126548 /nfs/dbraw/zinc/12/65/48/975126548.db2.gz WGKROXUUJOZEKW-CQSZACIVSA-N -1 0 327.380 3.545 20 0 EHADRM C[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)C(F)(F)F ZINC000630145943 975128868 /nfs/dbraw/zinc/12/88/68/975128868.db2.gz FGSCINDQDPXUFX-KCJUWKMLSA-N -1 0 337.725 3.561 20 0 EHADRM O=C([O-])C1(CNC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)CCCCC1 ZINC000630162559 975137436 /nfs/dbraw/zinc/13/74/36/975137436.db2.gz NEDGMPVPCLBLEH-IAGOWNOFSA-N -1 0 329.440 3.722 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@H]2CCCc2ccccc2)oc1C(=O)[O-] ZINC000630180081 975145306 /nfs/dbraw/zinc/14/53/06/975145306.db2.gz CCBUETOLAKIAAU-MRXNPFEDSA-N -1 0 341.407 3.914 20 0 EHADRM COc1cc(NC(=O)C2(C)CCC(F)(F)CC2)ccc1C(=O)[O-] ZINC000630184913 975146226 /nfs/dbraw/zinc/14/62/26/975146226.db2.gz UKERXWFYVOCMGC-UHFFFAOYSA-N -1 0 327.327 3.548 20 0 EHADRM Cc1ccccc1CO[C@@H](C)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000630194614 975152683 /nfs/dbraw/zinc/15/26/83/975152683.db2.gz QKDMILZWAZWYFG-GJZGRUSLSA-N -1 0 341.407 3.727 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)CCc1ccc(C(F)F)cc1)C(=O)[O-] ZINC000630201416 975157862 /nfs/dbraw/zinc/15/78/62/975157862.db2.gz TXSMYZWBGAMSEK-FZMZJTMJSA-N -1 0 327.371 3.562 20 0 EHADRM Cc1cc(C)c(C(=O)Nc2ccc(O[C@@H](C)C(=O)[O-])c(F)c2)c(C)c1 ZINC000630258273 975201648 /nfs/dbraw/zinc/20/16/48/975201648.db2.gz MRWFDCFWOQXGSX-ZDUSSCGKSA-N -1 0 345.370 3.855 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)C/C=C\c1ccc(F)cc1)C1CCCCC1 ZINC000630264861 975207754 /nfs/dbraw/zinc/20/77/54/975207754.db2.gz JCZVGLUALBPIGS-CHYADLBTSA-N -1 0 333.403 3.626 20 0 EHADRM CC1(C)[C@H](c2ccc(F)cc2)CCN1C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000630267059 975210938 /nfs/dbraw/zinc/21/09/38/975210938.db2.gz GDDUSZACOAPHGH-VYDXJSESSA-N -1 0 347.430 3.811 20 0 EHADRM O=C([O-])[C@H](CNC(=O)[C@H](c1ccccc1)C1CC1)C1CCCCC1 ZINC000630268105 975211964 /nfs/dbraw/zinc/21/19/64/975211964.db2.gz VZPAHNDETLLIHR-QZTJIDSGSA-N -1 0 329.440 3.578 20 0 EHADRM Cc1cc2cc(C(=O)N3CC[C@H](C(=O)[O-])[C@H]4CCC[C@H]43)oc2cc1C ZINC000630281505 975226274 /nfs/dbraw/zinc/22/62/74/975226274.db2.gz CGQGZEJHIDJUGJ-OWCLPIDISA-N -1 0 341.407 3.765 20 0 EHADRM Cc1ccc([C@@H]2C[C@H]2C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)cc1C ZINC000630285088 975229750 /nfs/dbraw/zinc/22/97/50/975229750.db2.gz PXSFAUJKGLXBIR-FKSLSLAPSA-N -1 0 341.451 3.509 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CC[C@@H]2CCCCO2)c2ccccc12 ZINC000630287252 975231635 /nfs/dbraw/zinc/23/16/35/975231635.db2.gz LIAYVOLPBIBEMG-ZDUSSCGKSA-N -1 0 327.380 3.826 20 0 EHADRM CC[C@@H](c1ccccc1OC)N(C)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000630295834 975235665 /nfs/dbraw/zinc/23/56/65/975235665.db2.gz MXTLKOWZPKTANW-INIZCTEOSA-N -1 0 345.370 3.756 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000630302552 975240370 /nfs/dbraw/zinc/24/03/70/975240370.db2.gz XVRCHCWMPREEAO-OAHLLOKOSA-N -1 0 325.355 3.663 20 0 EHADRM C[C@H](C(=O)N1C2CCC1(C(=O)[O-])CC2)c1c(Cl)cccc1Cl ZINC000630325187 975252740 /nfs/dbraw/zinc/25/27/40/975252740.db2.gz SEYNCOWIBVAODW-CYWKSYIRSA-N -1 0 342.222 3.705 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@]2(C)Cc2cccc(C)c2)oc1C(=O)[O-] ZINC000630341922 975263742 /nfs/dbraw/zinc/26/37/42/975263742.db2.gz QUPVWLJRQDHNMF-HXUWFJFHSA-N -1 0 341.407 3.832 20 0 EHADRM CCCn1ccc2cc(NC(=O)N3CC[C@H](C(=O)[O-])[C@H](C)C3)ccc21 ZINC000630562507 975267886 /nfs/dbraw/zinc/26/78/86/975267886.db2.gz WLLWHHYBMKMBCC-CJNGLKHVSA-N -1 0 343.427 3.626 20 0 EHADRM Cc1ccc(-c2nc(C[N@H+]3CC[C@@H](C)[C@@H](C(=O)[O-])C3)cs2)cc1 ZINC000579711668 1014248125 /nfs/dbraw/zinc/24/81/25/1014248125.db2.gz HMDJYJGLGZKUME-CJNGLKHVSA-N -1 0 330.453 3.661 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000634835630 975278491 /nfs/dbraw/zinc/27/84/91/975278491.db2.gz KJKLTOLXBQHUML-ZETCQYMHSA-N -1 0 328.340 3.673 20 0 EHADRM O=C([O-])CC1(CC(=O)N2CCC(c3ccsc3)CC2)CCCC1 ZINC000634917687 975281207 /nfs/dbraw/zinc/28/12/07/975281207.db2.gz AQCPODVSBXBMRB-UHFFFAOYSA-N -1 0 335.469 3.879 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CCCc2ccccc21)c1cccs1 ZINC000642146481 975289125 /nfs/dbraw/zinc/28/91/25/975289125.db2.gz KMVKQBBKMSYDES-CABCVRRESA-N -1 0 329.421 3.500 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1 ZINC000643429317 975302678 /nfs/dbraw/zinc/30/26/78/975302678.db2.gz OFTCIYSDIFMUCS-UHFFFAOYSA-N -1 0 345.370 3.559 20 0 EHADRM O=C([O-])c1cnc(N2CCC[C@@H]2c2ccc3c(c2)OCO3)c(Cl)c1 ZINC000647449810 975362400 /nfs/dbraw/zinc/36/24/00/975362400.db2.gz RZDFEOIICVLUIR-CYBMUJFWSA-N -1 0 346.770 3.503 20 0 EHADRM O=C([O-])c1cccc2c1CN(C(=O)CCc1ccccc1Cl)CC2 ZINC000649257292 975396144 /nfs/dbraw/zinc/39/61/44/975396144.db2.gz DSBYOJMTMDVYMJ-UHFFFAOYSA-N -1 0 343.810 3.556 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC000649258160 975398883 /nfs/dbraw/zinc/39/88/83/975398883.db2.gz JSQQDCJHPMZVFG-OAHLLOKOSA-N -1 0 337.419 3.772 20 0 EHADRM C[C@H](C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)c1ccc(Cl)cc1 ZINC000652068554 975466465 /nfs/dbraw/zinc/46/64/65/975466465.db2.gz HBVFUGWHDQEILA-DJJJIMSYSA-N -1 0 345.826 3.602 20 0 EHADRM CCCC(C)(C)C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC000652068985 975466782 /nfs/dbraw/zinc/46/67/82/975466782.db2.gz WIAFTWCCFSYJHH-LSDHHAIUSA-N -1 0 337.847 3.793 20 0 EHADRM CC(C)O[C@H](C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC001591686842 975499175 /nfs/dbraw/zinc/49/91/75/975499175.db2.gz UHYJMIUXGIWOEE-LRDDRELGSA-N -1 0 332.352 3.748 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)c1cccc(Nc2ccccc2)c1)C(=O)[O-] ZINC000339347164 1014264673 /nfs/dbraw/zinc/26/46/73/1014264673.db2.gz GCSGCMWULLKSPG-SUMWQHHRSA-N -1 0 326.396 3.659 20 0 EHADRM O=C([O-])[C@H](c1ccsc1)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000652434642 975529992 /nfs/dbraw/zinc/52/99/92/975529992.db2.gz AHEMWQGLICAWAO-WFASDCNBSA-N -1 0 337.828 3.681 20 0 EHADRM O=C([O-])[C@@H](c1ccccc1F)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000652435206 975531025 /nfs/dbraw/zinc/53/10/25/975531025.db2.gz UHBODUNUEHZVGT-YVEFUNNKSA-N -1 0 349.789 3.758 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@@H]2CCCc3ccccc32)c(C)c1 ZINC000107971740 1014267961 /nfs/dbraw/zinc/26/79/61/1014267961.db2.gz NOSGGIFFBFOMBH-HOYKHHGWSA-N -1 0 341.476 3.605 20 0 EHADRM Cc1c(CN(C)Cc2nc(C(=O)[O-])cs2)oc2c1cccc2C ZINC000652510537 975568295 /nfs/dbraw/zinc/56/82/95/975568295.db2.gz DCEOZBFGMWSOSV-UHFFFAOYSA-N -1 0 330.409 3.836 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)c2csc3c2CCCC3)c2ccccc21 ZINC000653332934 975591437 /nfs/dbraw/zinc/59/14/37/975591437.db2.gz KARVSPOGBZWSCG-ZBFHGGJFSA-N -1 0 341.432 3.670 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2ccc(C(F)F)cc2F)CCCCC1 ZINC000656239066 975653702 /nfs/dbraw/zinc/65/37/02/975653702.db2.gz VEQIXTJCQNNJJM-UHFFFAOYSA-N -1 0 343.345 3.918 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(Cc2ccc(F)c(Cl)c2)C1 ZINC000656756557 975684384 /nfs/dbraw/zinc/68/43/84/975684384.db2.gz FBGUIKGRVHURMS-ZJUUUORDSA-N -1 0 339.716 3.564 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(Cc2cc(Cl)ccc2F)C1 ZINC000656758058 975686611 /nfs/dbraw/zinc/68/66/11/975686611.db2.gz WPGSOSUQFMHVRU-ZJUUUORDSA-N -1 0 339.716 3.564 20 0 EHADRM CC1(C)CO[C@@H](c2cccc(Cl)c2)CN1Cc1occc1C(=O)[O-] ZINC000656766206 975699355 /nfs/dbraw/zinc/69/93/55/975699355.db2.gz SGYMEHBHGVHKCD-OAHLLOKOSA-N -1 0 349.814 3.983 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(C(C)C)c2)cc1 ZINC000659117577 975713481 /nfs/dbraw/zinc/71/34/81/975713481.db2.gz HWUCIPXNUSPHFI-SFHVURJKSA-N -1 0 341.407 3.764 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N(Cc1ccccc1)[C@H](C)C1CC1 ZINC000659118280 975714441 /nfs/dbraw/zinc/71/44/41/975714441.db2.gz FPWRJXBDWDLKII-GFCCVEGCSA-N -1 0 327.380 3.727 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(C(=O)c1cc3cc(Cl)ccc3s1)CC2 ZINC000659119906 975717201 /nfs/dbraw/zinc/71/72/01/975717201.db2.gz JZDDECMFOSPQIO-LBPRGKRZSA-N -1 0 349.839 3.882 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000659122368 975721919 /nfs/dbraw/zinc/72/19/19/975721919.db2.gz LKYJESJFUHDVES-GXTWGEPZSA-N -1 0 327.380 3.613 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)c2ccccc12 ZINC000659129194 975727955 /nfs/dbraw/zinc/72/79/55/975727955.db2.gz HHIIFEWVNVYLNF-WQVCFCJDSA-N -1 0 339.391 3.678 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000659145464 975745567 /nfs/dbraw/zinc/74/55/67/975745567.db2.gz LUNIGDNAZPUQSO-BONVTDFDSA-N -1 0 331.343 3.649 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000659148062 975749000 /nfs/dbraw/zinc/74/90/00/975749000.db2.gz ONRKZJAOLOUIOX-CQSZACIVSA-N -1 0 327.380 3.533 20 0 EHADRM CC(C)Oc1c(NC(=O)N([C@@H](C)C2CC2)C2CC2)cccc1C(=O)[O-] ZINC001591741520 975755763 /nfs/dbraw/zinc/75/57/63/975755763.db2.gz KHGYWKQNMJIMFP-LBPRGKRZSA-N -1 0 346.427 3.967 20 0 EHADRM CC[C@H](CNC(=O)C1(c2c(Cl)cccc2Cl)CCC1)C(=O)[O-] ZINC000659162971 975761617 /nfs/dbraw/zinc/76/16/17/975761617.db2.gz FMXQFVVWUVECRX-SNVBAGLBSA-N -1 0 344.238 3.642 20 0 EHADRM CC(C)Oc1c(NC(=O)N2CCC[C@](C)(F)C2)cccc1C(=O)[O-] ZINC001591744054 975765257 /nfs/dbraw/zinc/76/52/57/975765257.db2.gz IOHFJHYAMLLIFP-KRWDZBQOSA-N -1 0 338.379 3.528 20 0 EHADRM O=C([O-])c1ccc2c(c1)[C@H](CNC(=O)[C@@H]1CC13CCCC3)CCC2 ZINC000659184065 975780088 /nfs/dbraw/zinc/78/00/88/975780088.db2.gz IDNJLYQKOGINDH-RDJZCZTQSA-N -1 0 327.424 3.501 20 0 EHADRM CSc1ccc(C)c(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)c1 ZINC000659190955 975788177 /nfs/dbraw/zinc/78/81/77/975788177.db2.gz BZJCAIXFFSXHBF-YQQAZPJKSA-N -1 0 347.480 3.822 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(Cl)cc2F)[C@H]2CCCC[C@H]12 ZINC000659191066 975788467 /nfs/dbraw/zinc/78/84/67/975788467.db2.gz WNSFXXCQCJJVJQ-JMSVASOKSA-N -1 0 339.794 3.585 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3c(s2)CCCC3)[C@@H]2CCCC[C@@H]12 ZINC000659194606 975795447 /nfs/dbraw/zinc/79/54/47/975795447.db2.gz MFCCZYUACZNRHE-RRFJBIMHSA-N -1 0 347.480 3.732 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)C/C=C\c2cccc(F)c2)[C@@H]2CCCC[C@@H]12 ZINC000659195688 975798806 /nfs/dbraw/zinc/79/88/06/975798806.db2.gz QYGNFKVYJMFYEZ-WPEJPFCHSA-N -1 0 345.414 3.721 20 0 EHADRM C[C@](CCF)(NC(=O)CCCSc1ccc(Cl)cc1)C(=O)[O-] ZINC000659214192 975824602 /nfs/dbraw/zinc/82/46/02/975824602.db2.gz VDHGWKVYHJRJAO-OAHLLOKOSA-N -1 0 347.839 3.531 20 0 EHADRM C[C@@](CCF)(NC(=O)CCCSc1ccc(Cl)cc1)C(=O)[O-] ZINC000659214190 975824921 /nfs/dbraw/zinc/82/49/21/975824921.db2.gz VDHGWKVYHJRJAO-HNNXBMFYSA-N -1 0 347.839 3.531 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1CC2CCC1CC2 ZINC001591762430 975859396 /nfs/dbraw/zinc/85/93/96/975859396.db2.gz WTZDESNLSAYNTJ-SSDMNJCBSA-N -1 0 331.412 3.937 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC[C@@H]1C[C@]1(C)Br ZINC001591771964 975902500 /nfs/dbraw/zinc/90/25/00/975902500.db2.gz SKPNYNNCAWDCBG-NHYWBVRUSA-N -1 0 342.233 3.757 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1coc(C(C)(C)C)n1 ZINC001591771966 975902778 /nfs/dbraw/zinc/90/27/78/975902778.db2.gz SNIXHJWRIDUXJH-UHFFFAOYSA-N -1 0 346.383 3.710 20 0 EHADRM CC(C)Oc1ccc(C(=O)Oc2ccc(SCC(=O)[O-])cc2)cc1 ZINC001591773280 975912332 /nfs/dbraw/zinc/91/23/32/975912332.db2.gz WVDQOGNWTAKCPG-UHFFFAOYSA-N -1 0 346.404 3.870 20 0 EHADRM CC(C)Oc1ccc(COC(=O)c2ccc(C(=O)[O-])o2)cc1Cl ZINC001591774930 975913343 /nfs/dbraw/zinc/91/33/43/975913343.db2.gz AGAMJPIYKPZSCM-UHFFFAOYSA-N -1 0 338.743 3.775 20 0 EHADRM CC(C)Oc1ccc(Cc2noc(-c3ccc(C(=O)[O-])cc3)n2)cc1 ZINC001591774992 975914879 /nfs/dbraw/zinc/91/48/79/975914879.db2.gz DOFOTWYNVCHIGQ-UHFFFAOYSA-N -1 0 338.363 3.813 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc([C@@H]3CCCOC3)c2)cc1 ZINC000668268513 975978308 /nfs/dbraw/zinc/97/83/08/975978308.db2.gz SZHONQMWAAZNLW-MRXNPFEDSA-N -1 0 325.364 3.531 20 0 EHADRM C[C@H](NC(=O)C(C1CCC1)C1CCC1)c1ccc(OCC(=O)[O-])cc1 ZINC000668290252 975986630 /nfs/dbraw/zinc/98/66/30/975986630.db2.gz NAVQZAZOCKXZAE-ZDUSSCGKSA-N -1 0 345.439 3.544 20 0 EHADRM CC(C)Oc1ccc2ccccc2c1CNc1cncc(C(=O)[O-])n1 ZINC001591791813 975989934 /nfs/dbraw/zinc/98/99/34/975989934.db2.gz OYVILNOQWOHTMJ-UHFFFAOYSA-N -1 0 337.379 3.727 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N[C@H](C2CCCCC2)C(F)(F)F)CC1 ZINC000668301798 975991108 /nfs/dbraw/zinc/99/11/08/975991108.db2.gz RYSCHYMVXSHQFS-JHJVBQTASA-N -1 0 335.366 3.505 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)C2)cc1 ZINC000668300473 975991412 /nfs/dbraw/zinc/99/14/12/975991412.db2.gz OCVDZKIRMLNBKZ-LEUOFYLZSA-N -1 0 329.440 3.590 20 0 EHADRM CC(C)Oc1cccc([C@H](C)NC(=O)c2ccsc2CC(=O)[O-])c1 ZINC001591791951 975991643 /nfs/dbraw/zinc/99/16/43/975991643.db2.gz UJWZMTGEFOSFMI-LBPRGKRZSA-N -1 0 347.436 3.653 20 0 EHADRM CC(C)Oc1ccccc1C(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001591795652 975999098 /nfs/dbraw/zinc/99/90/98/975999098.db2.gz BHNDFMWIXRKMGI-UHFFFAOYSA-N -1 0 335.306 3.703 20 0 EHADRM C[C@@H](CC(=O)N(CCC(=O)[O-])Cc1ccccc1)c1ccc(F)cc1 ZINC000675948067 976018212 /nfs/dbraw/zinc/01/82/12/976018212.db2.gz XHMSLOUPVJWDRD-HNNXBMFYSA-N -1 0 343.398 3.823 20 0 EHADRM CC(C)Oc1ccccc1CC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001591801983 976019622 /nfs/dbraw/zinc/01/96/22/976019622.db2.gz ZDTMSXNYNULFRQ-UHFFFAOYSA-N -1 0 349.333 3.631 20 0 EHADRM Cc1cccc2cc(C(=O)N[C@@H](CC(=O)[O-])c3cccs3)oc21 ZINC000675950974 976020224 /nfs/dbraw/zinc/02/02/24/976020224.db2.gz LWUYADOQOIOOQW-LBPRGKRZSA-N -1 0 329.377 3.749 20 0 EHADRM CC(C)Oc1ccnc(COC(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC001591803347 976022336 /nfs/dbraw/zinc/02/23/36/976022336.db2.gz HAXVEJJRTBZGEP-UHFFFAOYSA-N -1 0 349.770 3.577 20 0 EHADRM Cc1oc(CN(C)C(=O)CCc2ccc(C)c(Cl)c2)cc1C(=O)[O-] ZINC000678979246 976034397 /nfs/dbraw/zinc/03/43/97/976034397.db2.gz OBCAYTBHJNPJJO-UHFFFAOYSA-N -1 0 349.814 3.839 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000679107226 976047710 /nfs/dbraw/zinc/04/77/10/976047710.db2.gz XYXKYNPRFIRGGH-CVEARBPZSA-N -1 0 331.456 3.838 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000679107228 976048303 /nfs/dbraw/zinc/04/83/03/976048303.db2.gz XYXKYNPRFIRGGH-HOTGVXAUSA-N -1 0 331.456 3.838 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)CCCOc1ccccc1Cl ZINC000681681443 976072775 /nfs/dbraw/zinc/07/27/75/976072775.db2.gz KAGKCBRCCUCEBM-UHFFFAOYSA-N -1 0 333.771 3.836 20 0 EHADRM CC[C@H](C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccc(F)cc1 ZINC000683323539 976085675 /nfs/dbraw/zinc/08/56/75/976085675.db2.gz CKJZJMOGPVMFQS-HOCLYGCPSA-N -1 0 335.419 3.669 20 0 EHADRM Cc1cc(C)cc(CCC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000683324413 976087698 /nfs/dbraw/zinc/08/76/98/976087698.db2.gz GTIPLMTUPBNROF-KRWDZBQOSA-N -1 0 331.456 3.585 20 0 EHADRM CC[C@@H](C(=O)Nc1cccc(C(=O)[O-])c1C)c1ccc(OC)cc1 ZINC000685019041 976093385 /nfs/dbraw/zinc/09/33/85/976093385.db2.gz OPIYIBCSSFXZSY-OAHLLOKOSA-N -1 0 327.380 3.834 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CC(=O)N[C@H](CC(F)F)C(=O)[O-])c2ccccc21 ZINC001591846863 976132151 /nfs/dbraw/zinc/13/21/51/976132151.db2.gz ZMGNYCNMTFNDJE-TUKIKUTGSA-N -1 0 339.382 3.528 20 0 EHADRM CC(C)c1[nH]c(CNc2ccc3c(c2)COC(=O)N3)cc1C(=O)[O-] ZINC001591918781 976386493 /nfs/dbraw/zinc/38/64/93/976386493.db2.gz YIAZNHJEBUQDOK-UHFFFAOYSA-N -1 0 329.356 3.511 20 0 EHADRM CC(C)c1cc(C(=O)Nc2cccc(C(=O)[O-])n2)c2ccccc2n1 ZINC001591931109 976431459 /nfs/dbraw/zinc/43/14/59/976431459.db2.gz RKVGXQXYJSMBEO-UHFFFAOYSA-N -1 0 335.363 3.704 20 0 EHADRM CC(C)c1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)nn1-c1ccccc1 ZINC001591931239 976434855 /nfs/dbraw/zinc/43/48/55/976434855.db2.gz VOGWFYGZDMRCKL-UHFFFAOYSA-N -1 0 349.390 3.946 20 0 EHADRM CC(C)c1cc(NC(=O)Nc2cccc(SCCC(=O)[O-])c2)n[nH]1 ZINC001591935878 976455056 /nfs/dbraw/zinc/45/50/56/976455056.db2.gz JJZCZPNEKVEVLA-UHFFFAOYSA-N -1 0 348.428 3.744 20 0 EHADRM CC(C)c1ccc(C2(C(=O)N3CC[C@@](C)(C(=O)[O-])C3)CCCC2)cc1 ZINC001591948999 976504513 /nfs/dbraw/zinc/50/45/13/976504513.db2.gz OKVKPRDLKFDYRV-HXUWFJFHSA-N -1 0 343.467 3.945 20 0 EHADRM CC(C)c1ccc([C@@H]2CCCCN2C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cc1 ZINC001591949356 976507394 /nfs/dbraw/zinc/50/73/94/976507394.db2.gz VOCFSMCGYBSRDK-KSZLIROESA-N -1 0 344.455 3.910 20 0 EHADRM CC(C)c1ccc(NC(=O)c2cnc3n2[C@H](C)CCC3)c(C(=O)[O-])c1 ZINC001591969217 976569370 /nfs/dbraw/zinc/56/93/70/976569370.db2.gz ZBYAUEIMGPPBRC-GFCCVEGCSA-N -1 0 341.411 3.854 20 0 EHADRM CC(C)c1cccc(CNC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC001591987803 976612291 /nfs/dbraw/zinc/61/22/91/976612291.db2.gz QBSCVLNEYIVSJE-UHFFFAOYSA-N -1 0 340.423 3.850 20 0 EHADRM CC(C)c1ccccc1OCCC(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1 ZINC001592003633 976664230 /nfs/dbraw/zinc/66/42/30/976664230.db2.gz CBRPGACJCJNDNQ-SGNKCFNYSA-N -1 0 347.455 3.729 20 0 EHADRM CC(C)c1csc(CN[C@@H](C)c2ccccc2OCC(=O)[O-])n1 ZINC001592008700 976679913 /nfs/dbraw/zinc/67/99/13/976679913.db2.gz SASZICORQUAYJA-LBPRGKRZSA-N -1 0 334.441 3.581 20 0 EHADRM CC(C)c1nc(NC(=O)c2ccc(C(C)(C)C)cn2)sc1C(=O)[O-] ZINC001592028480 976728266 /nfs/dbraw/zinc/72/82/66/976728266.db2.gz KGILTEJJUJIVOU-UHFFFAOYSA-N -1 0 347.440 3.910 20 0 EHADRM CC(C)c1ncsc1C(=O)OCc1c(F)cc(C(=O)[O-])cc1F ZINC001592042907 976773815 /nfs/dbraw/zinc/77/38/15/976773815.db2.gz YCWJTRWGOMDIJV-UHFFFAOYSA-N -1 0 341.335 3.600 20 0 EHADRM CC(C)c1sc(NC(=O)[C@H]2CCc3ccccc3C2)nc1C(=O)[O-] ZINC001592111537 976899800 /nfs/dbraw/zinc/89/98/00/976899800.db2.gz CARNUDWIIGSXFU-ZDUSSCGKSA-N -1 0 344.436 3.708 20 0 EHADRM CC(C)c1sc(NC(=O)c2cc3ccccc3o2)nc1C(=O)[O-] ZINC001592114865 976909719 /nfs/dbraw/zinc/90/97/19/976909719.db2.gz LVMBXYJLWYNMSV-UHFFFAOYSA-N -1 0 330.365 3.963 20 0 EHADRM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001592181469 977105644 /nfs/dbraw/zinc/10/56/44/977105644.db2.gz VFAZKVLQDBJHBD-CYBMUJFWSA-N -1 0 339.395 3.612 20 0 EHADRM C[C@@H](C1CC1)n1cc(NCc2ccnc3c(C(=O)[O-])cccc23)cn1 ZINC001592181594 977108552 /nfs/dbraw/zinc/10/85/52/977108552.db2.gz OXAKGTRIMWBCBZ-LBPRGKRZSA-N -1 0 336.395 3.713 20 0 EHADRM C[C@H](/C=C\C(=O)[O-])NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC001592195197 977176628 /nfs/dbraw/zinc/17/66/28/977176628.db2.gz RYKYKIZFFXCPRN-FDSUEATNSA-N -1 0 341.432 3.666 20 0 EHADRM C[C@@H](CC(=O)N1C[C@H](C(=O)[O-])c2ccccc21)c1c[nH]c2ccccc21 ZINC001592228176 977428938 /nfs/dbraw/zinc/42/89/38/977428938.db2.gz ZSOYFSMSSZWPTQ-GUYCJALGSA-N -1 0 348.402 3.877 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21)c1ccco1 ZINC001592239557 977449487 /nfs/dbraw/zinc/44/94/87/977449487.db2.gz BBAQMDYCWLXSQY-ORAYPTAESA-N -1 0 337.375 3.869 20 0 EHADRM C[C@H](CC(=O)N[C@@H](C)[C@H](Cc1ccccc1)C(=O)[O-])CC(C)(C)C ZINC001592243020 977464964 /nfs/dbraw/zinc/46/49/64/977464964.db2.gz RKRXMMSRLAAACC-VYDXJSESSA-N -1 0 333.472 3.897 20 0 EHADRM C[C@@H](CC(=O)NC[C@@H](CC1CCCC1)C(=O)[O-])c1cccc(F)c1 ZINC001592254347 977489282 /nfs/dbraw/zinc/48/92/82/977489282.db2.gz FUZJAVLMBAPUSE-XJKSGUPXSA-N -1 0 335.419 3.717 20 0 EHADRM Cc1c(C(=O)Nc2cc(F)cc(Cl)c2[O-])[nH]c2c1C(=O)CCC2 ZINC000274647328 1014400521 /nfs/dbraw/zinc/40/05/21/1014400521.db2.gz DPDFKHQXLJPSTP-UHFFFAOYSA-N -1 0 336.750 3.593 20 0 EHADRM C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)Nc1cccc2ccncc21 ZINC001592274254 977547125 /nfs/dbraw/zinc/54/71/25/977547125.db2.gz MFPIPBRFKPTJHS-CYBMUJFWSA-N -1 0 349.390 3.762 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)CCSc1cccc(Cl)c1)C1CC1 ZINC001592283035 977592040 /nfs/dbraw/zinc/59/20/40/977592040.db2.gz UPKQLMGJQRZAQJ-INIZCTEOSA-N -1 0 341.860 3.582 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)Nc1ccc(F)c(C(F)F)c1)C1CC1 ZINC001592296551 977627448 /nfs/dbraw/zinc/62/74/48/977627448.db2.gz BPRDWEQCPQVDFD-OAHLLOKOSA-N -1 0 330.306 3.528 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)Nc1ccccc1CC(F)(F)F)C1CC1 ZINC001592296696 977629378 /nfs/dbraw/zinc/62/93/78/977629378.db2.gz GMIGXXKKDSENBJ-HNNXBMFYSA-N -1 0 344.333 3.556 20 0 EHADRM CC(C)c1ccc(C2(CNC(=O)[C@H](C)CC(=O)[O-])CCCC2)cc1 ZINC001592351499 977826616 /nfs/dbraw/zinc/82/66/16/977826616.db2.gz MJIPOISSXKVHGL-OAHLLOKOSA-N -1 0 331.456 3.849 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)NCC1(c2ccc(C(C)(C)C)cc2)CCC1 ZINC001592351756 977831224 /nfs/dbraw/zinc/83/12/24/977831224.db2.gz VWUKZUHNBDJOJA-AWEZNQCLSA-N -1 0 331.456 3.633 20 0 EHADRM NC(=O)Nc1cccc(Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1 ZINC001211489750 1014431272 /nfs/dbraw/zinc/43/12/72/1014431272.db2.gz GQVIXNVYJMTQTC-UHFFFAOYSA-N -1 0 339.273 3.638 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N(Cc1ccco1)c1cccc(Cl)c1 ZINC001592370446 977884319 /nfs/dbraw/zinc/88/43/19/977884319.db2.gz JJIQTDPJGCCARV-GFCCVEGCSA-N -1 0 335.787 3.967 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCSc2ccc(C(F)(F)F)cc21 ZINC001592375345 977907737 /nfs/dbraw/zinc/90/77/37/977907737.db2.gz OFZBQUALURWCQR-SECBINFHSA-N -1 0 347.358 3.645 20 0 EHADRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)C1(C)CCC1 ZINC000720665475 978054373 /nfs/dbraw/zinc/05/43/73/978054373.db2.gz BMJOFKAASFZFPN-UHFFFAOYSA-N -1 0 326.190 3.584 20 0 EHADRM C[C@H](CC(=O)O[C@@H](C)c1cc(C(=O)[O-])co1)C(=O)c1cccc(F)c1 ZINC001592429614 978056500 /nfs/dbraw/zinc/05/65/00/978056500.db2.gz ODKQQPYGLFBGQB-MNOVXSKESA-N -1 0 348.326 3.630 20 0 EHADRM C[C@@H](CC(=O)Oc1cccc2c(CC(=O)[O-])cccc12)C(F)(F)F ZINC001592437171 978079404 /nfs/dbraw/zinc/07/94/04/978079404.db2.gz JIMSHQMDNGLEKT-JTQLQIEISA-N -1 0 340.297 3.961 20 0 EHADRM C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)Oc1cccc(C(=O)[O-])c1 ZINC001592438297 978082512 /nfs/dbraw/zinc/08/25/12/978082512.db2.gz RFKPDDZEAQJXBC-LLVKDONJSA-N -1 0 346.766 3.853 20 0 EHADRM C[C@@H](CC(C)(C)C)C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC001592439367 978089637 /nfs/dbraw/zinc/08/96/37/978089637.db2.gz GUWIBIXXYOAHSZ-QWRGUYRKSA-N -1 0 325.380 3.688 20 0 EHADRM C[C@@H](CC(C)(C)C)NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001592444213 978101761 /nfs/dbraw/zinc/10/17/61/978101761.db2.gz LRWBYHYZWXZWNY-DZGCQCFKSA-N -1 0 334.460 3.962 20 0 EHADRM C[C@H](CC(C)(C)C)NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001592444215 978101978 /nfs/dbraw/zinc/10/19/78/978101978.db2.gz LRWBYHYZWXZWNY-HIFRSBDPSA-N -1 0 334.460 3.962 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2cc(C)c(Cl)s2)cn1 ZINC000530440380 1014469006 /nfs/dbraw/zinc/46/90/06/1014469006.db2.gz FDDIYUFHNBHVPR-UHFFFAOYSA-N -1 0 334.875 3.628 20 0 EHADRM C[C@@H](CCC(C)(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001592478957 978256135 /nfs/dbraw/zinc/25/61/35/978256135.db2.gz YRGBTAGFTUIICM-GUYCJALGSA-N -1 0 344.455 3.742 20 0 EHADRM CC(C)[C@H](OC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000736389491 978328593 /nfs/dbraw/zinc/32/85/93/978328593.db2.gz IWPAZPCTVVVUPF-GVXVVHGQSA-N -1 0 331.195 3.749 20 0 EHADRM C[C@H](CCNC(=O)NCc1ccc(C(=O)[O-])cc1F)CC(C)(C)C ZINC001592520364 978367760 /nfs/dbraw/zinc/36/77/60/978367760.db2.gz HVZNKIYLWUSKOB-GFCCVEGCSA-N -1 0 338.423 3.786 20 0 EHADRM C[C@@H](CCNC(=O)c1[nH]c2ccccc2c1CC(=O)[O-])CC(C)(C)C ZINC001592520821 978370607 /nfs/dbraw/zinc/37/06/07/978370607.db2.gz JPLGLCRTVWIYRP-ZDUSSCGKSA-N -1 0 344.455 3.987 20 0 EHADRM CCOc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000737204814 978388995 /nfs/dbraw/zinc/38/89/95/978388995.db2.gz YCEKVTVFNHJKJB-UHFFFAOYSA-N -1 0 348.786 3.759 20 0 EHADRM C[C@H](CCNc1ncncc1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001592530921 978403362 /nfs/dbraw/zinc/40/33/62/978403362.db2.gz NRJNKKYHTVXFJD-SNVBAGLBSA-N -1 0 339.317 3.799 20 0 EHADRM C[C@H](CCc1cccc(F)c1)c1nc(-c2cc(C(=O)[O-])co2)no1 ZINC001592541183 978428320 /nfs/dbraw/zinc/42/83/20/978428320.db2.gz WAFPXFPTLJARIJ-SNVBAGLBSA-N -1 0 330.315 3.903 20 0 EHADRM C[C@@H](CCc1ccccc1F)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001592546295 978432419 /nfs/dbraw/zinc/43/24/19/978432419.db2.gz LXDLTWGTHDGROJ-ZDUSSCGKSA-N -1 0 341.386 3.693 20 0 EHADRM CC(C)c1ncsc1C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC001592604542 978544151 /nfs/dbraw/zinc/54/41/51/978544151.db2.gz FNOQZMITSRRUFY-ZDUSSCGKSA-N -1 0 346.452 3.630 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Oc2ccc(C)cc2C(=O)[O-])s1 ZINC000738640840 978579562 /nfs/dbraw/zinc/57/95/62/978579562.db2.gz OEQQECAVGKOGIH-UHFFFAOYSA-N -1 0 332.377 3.632 20 0 EHADRM Cc1ccc(OC(=O)CCSc2ccccc2F)c(C(=O)[O-])c1 ZINC000738641380 978580308 /nfs/dbraw/zinc/58/03/08/978580308.db2.gz QQEWWBWJACKOHB-UHFFFAOYSA-N -1 0 334.368 3.920 20 0 EHADRM Cc1nc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)sc1-c1ccccc1 ZINC000738864607 978605915 /nfs/dbraw/zinc/60/59/15/978605915.db2.gz OADLBEFRFLWLHB-ZIAGYGMSSA-N -1 0 344.436 3.948 20 0 EHADRM O=C([O-])[C@@H](Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc(F)cc1 ZINC000739511200 978643515 /nfs/dbraw/zinc/64/35/15/978643515.db2.gz DDLVKHZUSXGZCZ-MSOLQXFVSA-N -1 0 345.370 3.621 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CC[C@H](c3ccccc3F)C2)c(F)c1 ZINC000740148298 978670758 /nfs/dbraw/zinc/67/07/58/978670758.db2.gz UJGDWELUXKLOFM-LBPRGKRZSA-N -1 0 346.333 3.684 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000761418810 978710200 /nfs/dbraw/zinc/71/02/00/978710200.db2.gz IBIHWXQDYZGTHK-GFCCVEGCSA-N -1 0 343.810 3.806 20 0 EHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000761690750 978714604 /nfs/dbraw/zinc/71/46/04/978714604.db2.gz RQGJBNLSPPABIB-XFXZXTDPSA-N -1 0 329.783 3.758 20 0 EHADRM C/C(=C/C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000766827931 978725686 /nfs/dbraw/zinc/72/56/86/978725686.db2.gz MVEOILAZTSSHBV-QAAVPBIRSA-N -1 0 327.355 3.561 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000776630780 978762461 /nfs/dbraw/zinc/76/24/61/978762461.db2.gz YXDYNUWAOBQPBX-UHFFFAOYSA-N -1 0 331.343 3.954 20 0 EHADRM CCC(CC)(NC(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000808520289 978852649 /nfs/dbraw/zinc/85/26/49/978852649.db2.gz PGJSDPGMPWPJOP-ZHACJKMWSA-N -1 0 343.345 3.868 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000811816051 978860119 /nfs/dbraw/zinc/86/01/19/978860119.db2.gz JVHQHILASJDPRX-UHFFFAOYSA-N -1 0 333.815 3.737 20 0 EHADRM COc1c(F)cc(NC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1F ZINC000811820248 978864908 /nfs/dbraw/zinc/86/49/08/978864908.db2.gz SUFJRBHYQJNWAG-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM CC(=O)Nc1nc(CNc2ccc(C(C)C)cc2C(=O)[O-])cs1 ZINC000825922581 978942564 /nfs/dbraw/zinc/94/25/64/978942564.db2.gz FYQKOPSBAUICLV-UHFFFAOYSA-N -1 0 333.413 3.535 20 0 EHADRM C[C@@H](NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)[C@H](C)c1ccccc1 ZINC000827646041 978962917 /nfs/dbraw/zinc/96/29/17/978962917.db2.gz NTJPNWSQKRNXQJ-LSDHHAIUSA-N -1 0 340.423 3.718 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000829005320 978991530 /nfs/dbraw/zinc/99/15/30/978991530.db2.gz YTHIBTRRJISGOJ-NRSFXHEJSA-N -1 0 347.455 3.645 20 0 EHADRM CC[C@@H](C)c1ccccc1OS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC001595015937 979068774 /nfs/dbraw/zinc/06/87/74/979068774.db2.gz PNUPNEYWKNBSPJ-GFCCVEGCSA-N -1 0 348.420 3.974 20 0 EHADRM CC[C@@H](C)n1nc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cc1C ZINC001595022568 979107789 /nfs/dbraw/zinc/10/77/89/979107789.db2.gz MUFGDOXTUWDBPA-YPMHNXCESA-N -1 0 329.400 3.603 20 0 EHADRM O=C([O-])C[C@H]1CCCN1Cn1cc(-c2ccc(F)cc2)oc1=S ZINC000833211177 979119034 /nfs/dbraw/zinc/11/90/34/979119034.db2.gz FCYLVBUBFWDRKN-CYBMUJFWSA-N -1 0 336.388 3.513 20 0 EHADRM CC[C@@H](C)n1ncc(N[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])c1C ZINC001595026364 979135766 /nfs/dbraw/zinc/13/57/66/979135766.db2.gz HJVKLJZWCURWBL-ABAIWWIYSA-N -1 0 335.835 3.924 20 0 EHADRM CC[C@@H](C)n1ncc(NCc2cc(C)c(OCC(=O)[O-])c(C)c2)c1C ZINC001595026946 979139194 /nfs/dbraw/zinc/13/91/94/979139194.db2.gz NMSDEVUKGRQOOB-CQSZACIVSA-N -1 0 345.443 3.855 20 0 EHADRM CC[C@@H](C)n1ncc(NCc2ccccc2O[C@H](C)C(=O)[O-])c1C ZINC001595027451 979143672 /nfs/dbraw/zinc/14/36/72/979143672.db2.gz VTEDWDGFOMJGQZ-TZMCWYRMSA-N -1 0 331.416 3.627 20 0 EHADRM Fc1ccccc1-c1ccc(CN=c2[n-]ncn2Cc2ccccc2)o1 ZINC000547636551 1014553331 /nfs/dbraw/zinc/55/33/31/1014553331.db2.gz WPWMOQAAHKGXMP-UHFFFAOYSA-N -1 0 348.381 3.760 20 0 EHADRM CC[C@@H](CC(=O)NC[C@](CC)(C(=O)[O-])c1ccccc1)C(C)(C)C ZINC001595033900 979179137 /nfs/dbraw/zinc/17/91/37/979179137.db2.gz SULSXSMCLLSWRO-YWZLYKJASA-N -1 0 333.472 3.998 20 0 EHADRM CC[C@@H](CC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)c1ccc(OC)cc1 ZINC001595033989 979180244 /nfs/dbraw/zinc/18/02/44/979180244.db2.gz XDMPUDMIUAVCSB-BBRMVZONSA-N -1 0 335.444 3.585 20 0 EHADRM CC[C@@H](CC(C)C)C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001595035561 979186516 /nfs/dbraw/zinc/18/65/16/979186516.db2.gz HVGVFQOWDZBELO-QWHCGFSZSA-N -1 0 338.473 3.886 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Oc1cc(Br)ccc1Cl ZINC000833455051 979188161 /nfs/dbraw/zinc/18/81/61/979188161.db2.gz GLXHTVCTAHDESJ-UHFFFAOYSA-N -1 0 349.608 3.899 20 0 EHADRM CC[C@H](CC(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2)C(C)(C)C ZINC001595036396 979194849 /nfs/dbraw/zinc/19/48/49/979194849.db2.gz DDXIIFXAYXESSY-WDEREUQCSA-N -1 0 338.473 3.734 20 0 EHADRM C[C@H](OC(=O)Cc1cccc(C(=O)[O-])c1)c1nc2ccccc2s1 ZINC000833531314 979199485 /nfs/dbraw/zinc/19/94/85/979199485.db2.gz KWEOBHKEKXJOPD-NSHDSACASA-N -1 0 341.388 3.841 20 0 EHADRM C[C@@H](CNc1nccc(C(=O)[O-])n1)c1c(Cl)cccc1Cl ZINC001592729082 979241121 /nfs/dbraw/zinc/24/11/21/979241121.db2.gz KXVMDSUOAOODAR-QMMMGPOBSA-N -1 0 326.183 3.697 20 0 EHADRM C[C@](CNc1nccc(Oc2ccccc2)n1)(C(=O)[O-])c1ccccc1 ZINC001592730466 979248366 /nfs/dbraw/zinc/24/83/66/979248366.db2.gz WFJPYMFYQWUPSI-HXUWFJFHSA-N -1 0 349.390 3.723 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC000836755424 979262499 /nfs/dbraw/zinc/26/24/99/979262499.db2.gz YXOZDLPBKQTHBU-SMDDNHRTSA-N -1 0 347.436 3.621 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1cccc(-c2ncco2)c1C ZINC001595049832 979276124 /nfs/dbraw/zinc/27/61/24/979276124.db2.gz HCTOZKOJSGEOKK-UHFFFAOYSA-N -1 0 345.399 3.805 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)CO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC001595051394 979283821 /nfs/dbraw/zinc/28/38/21/979283821.db2.gz YSDYTEUNPSYVBZ-BZUAXINKSA-N -1 0 341.492 3.614 20 0 EHADRM O=C([O-])CN(CCc1ccccc1)Cc1cnc(C2CCC2)s1 ZINC000840995248 979295081 /nfs/dbraw/zinc/29/50/81/979295081.db2.gz XXOZPVQWEFDWBE-UHFFFAOYSA-N -1 0 330.453 3.540 20 0 EHADRM CCC(CC)(CCOC(=O)c1ncoc1-c1ccccc1)C(=O)[O-] ZINC001595059964 979313284 /nfs/dbraw/zinc/31/32/84/979313284.db2.gz XTBSZMLFBYRPGQ-UHFFFAOYSA-N -1 0 331.368 3.780 20 0 EHADRM C[C@](COC(=O)/C=C/c1ccc2[nH]ccc2c1)(C(=O)[O-])c1ccccc1 ZINC001592762694 979358781 /nfs/dbraw/zinc/35/87/81/979358781.db2.gz ACILEBMTXABNJM-ZQAUEJBPSA-N -1 0 349.386 3.767 20 0 EHADRM C[C@](COC(=O)C[C@@]1(C)CC1(Cl)Cl)(C(=O)[O-])c1ccccc1 ZINC001592764938 979368054 /nfs/dbraw/zinc/36/80/54/979368054.db2.gz MQMYJTYRSAAQOO-LSDHHAIUSA-N -1 0 345.222 3.546 20 0 EHADRM CCC(CC)(CNc1ccc(C(=O)[O-])nn1)c1ccc(Cl)cc1 ZINC001595084050 979373836 /nfs/dbraw/zinc/37/38/36/979373836.db2.gz AMAWGAONSHGQHD-UHFFFAOYSA-N -1 0 333.819 3.998 20 0 EHADRM CCC(CC)(NC(=O)c1cc(Oc2ccccc2)ccc1O)C(=O)[O-] ZINC001595098254 979401803 /nfs/dbraw/zinc/40/18/03/979401803.db2.gz YTGKVIVGRTYTAK-UHFFFAOYSA-N -1 0 343.379 3.558 20 0 EHADRM CCC(CC)C(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001595105176 979420546 /nfs/dbraw/zinc/42/05/46/979420546.db2.gz CJVHZCQJWDCAGG-UHFFFAOYSA-N -1 0 328.368 3.947 20 0 EHADRM CCC(CC)[C@@H](NC(=O)NC1CC(CC(=O)[O-])C1)c1ccccc1 ZINC001595109221 979440621 /nfs/dbraw/zinc/44/06/21/979440621.db2.gz FCSGLWUZBFDKIG-PVCYVWKFSA-N -1 0 332.444 3.716 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)OCc1cccc(C(=O)[O-])c1 ZINC001595126415 979517076 /nfs/dbraw/zinc/51/70/76/979517076.db2.gz RMVUJBPMZSGPII-UHFFFAOYSA-N -1 0 330.384 3.608 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N2CCC[C@@H]2CCc2ccccc2)o1 ZINC000851601192 979520534 /nfs/dbraw/zinc/52/05/34/979520534.db2.gz JJCLKHVRJKCUTM-SICOMBFOSA-N -1 0 339.391 3.615 20 0 EHADRM Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2ccc(/C=C\C(=O)[O-])o2)c1 ZINC000851602555 979523242 /nfs/dbraw/zinc/52/32/42/979523242.db2.gz WRNCANIQYMASTC-PXAMLJHWSA-N -1 0 339.391 3.972 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)NC2(Cc3ccccc3)CCCC2)o1 ZINC000851603242 979525478 /nfs/dbraw/zinc/52/54/78/979525478.db2.gz MFQVQBOGSHCKKK-PKNBQFBNSA-N -1 0 339.391 3.663 20 0 EHADRM C[C@@H](CSCC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001592824204 979537272 /nfs/dbraw/zinc/53/72/72/979537272.db2.gz HLOCQRYLIPZZKL-ZDUSSCGKSA-N -1 0 329.421 3.860 20 0 EHADRM C[C@@H](CS[C@@H](C)c1nnc(-c2ccccc2F)s1)C(=O)[O-] ZINC001592825245 979541670 /nfs/dbraw/zinc/54/16/70/979541670.db2.gz SVQLTYXERLGRRB-IUCAKERBSA-N -1 0 326.418 3.859 20 0 EHADRM C/C(=C/C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21)c1ccc(F)cc1 ZINC000851619300 979546737 /nfs/dbraw/zinc/54/67/37/979546737.db2.gz TXGGZZLMUKZCME-NSKSQELHSA-N -1 0 345.414 3.721 20 0 EHADRM C[C@@H](CSCc1nc2ccc(Br)cc2o1)C(=O)[O-] ZINC001592830354 979554084 /nfs/dbraw/zinc/55/40/84/979554084.db2.gz OEUJYUNPDQLFGM-ZETCQYMHSA-N -1 0 330.203 3.544 20 0 EHADRM O=C([O-])[C@H]1CCN(Cc2cncc(C(F)(F)F)c2)c2ccccc21 ZINC000851706602 979572837 /nfs/dbraw/zinc/57/28/37/979572837.db2.gz RPQRMWMVPKVIOV-AWEZNQCLSA-N -1 0 336.313 3.679 20 0 EHADRM CC(C)c1ccc(C[C@@H](C)NC(=O)Nc2cccc(C(=O)[O-])n2)cc1 ZINC001592833901 979573412 /nfs/dbraw/zinc/57/34/12/979573412.db2.gz LAWPLFFEOUFVDM-CYBMUJFWSA-N -1 0 341.411 3.656 20 0 EHADRM CC[C@@H](CNC(=O)C1(c2ccc(Cl)cc2)CCCCC1)C(=O)[O-] ZINC001595137861 979580748 /nfs/dbraw/zinc/58/07/48/979580748.db2.gz CHKUSCWOKTVNOM-ZDUSSCGKSA-N -1 0 337.847 3.769 20 0 EHADRM CC(C)c1ccc(C[C@H](C)NC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1 ZINC001592834866 979581301 /nfs/dbraw/zinc/58/13/01/979581301.db2.gz YWMRPTXGPJJVSO-VUZGARFFSA-N -1 0 343.467 3.892 20 0 EHADRM C[C@](Cc1ccc(Cl)cc1)(NC(=O)C1CCC=CCC1)C(=O)[O-] ZINC001592837806 979583477 /nfs/dbraw/zinc/58/34/77/979583477.db2.gz DNEZPNWSTDLBKI-GOSISDBHSA-N -1 0 335.831 3.588 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1 ZINC000856723236 979610398 /nfs/dbraw/zinc/61/03/98/979610398.db2.gz ZLVZWVZPHULDNH-LBPRGKRZSA-N -1 0 345.370 3.882 20 0 EHADRM C[C@](Cc1ccc(F)cc1)(NC(=O)C1CCC(C2CC2)CC1)C(=O)[O-] ZINC001592845535 979615236 /nfs/dbraw/zinc/61/52/36/979615236.db2.gz CKEJPENSRDTPGD-ALLBUHFWSA-N -1 0 347.430 3.544 20 0 EHADRM Cc1nc2scc(C3CC3)n2c1CNc1cccc(C(=O)[O-])c1 ZINC000859807591 979637333 /nfs/dbraw/zinc/63/73/33/979637333.db2.gz HOFDOQMYSLWOFC-UHFFFAOYSA-N -1 0 327.409 3.892 20 0 EHADRM CC[C@](CNC(=O)Nc1cc(C)ccc1F)(C(=O)[O-])c1ccccc1 ZINC001595152520 979647509 /nfs/dbraw/zinc/64/75/09/979647509.db2.gz LFVADAHNHWXZKG-LJQANCHMSA-N -1 0 344.386 3.688 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)[C@H]2C[C@]2(F)c2ccccc2)cc1)C(=O)[O-] ZINC001592857737 979666197 /nfs/dbraw/zinc/66/61/97/979666197.db2.gz LIMBYPSNSCWSBU-DUXSXAKTSA-N -1 0 341.382 3.773 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N(C)[C@@H](C)c2ccco2)cc1)C(=O)[O-] ZINC001592858231 979670681 /nfs/dbraw/zinc/67/06/81/979670681.db2.gz GJSCYQXJNFBOOC-STQMWFEESA-N -1 0 330.384 3.768 20 0 EHADRM C[C@H](c1ccccn1)N(C)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001592858726 979675998 /nfs/dbraw/zinc/67/59/98/979675998.db2.gz KJLCYLGLMNCCBM-UONOGXRCSA-N -1 0 341.411 3.570 20 0 EHADRM CC[C@H](NC(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccc(OC)cc1 ZINC000864101383 979684718 /nfs/dbraw/zinc/68/47/18/979684718.db2.gz YAZAFSPKZBDNQD-KRWDZBQOSA-N -1 0 327.380 3.583 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N2CC[C@@H](C)C3(CCC3)C2)cc1)C(=O)[O-] ZINC001592860274 979689576 /nfs/dbraw/zinc/68/95/76/979689576.db2.gz GWWXMBFHWOOEGO-HUUCEWRRSA-N -1 0 344.455 3.994 20 0 EHADRM CC[C@H]1c2ccsc2CCN1C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000864104948 979690918 /nfs/dbraw/zinc/69/09/18/979690918.db2.gz WULRHJYXHXYMDT-NQHOJNORSA-N -1 0 331.393 3.589 20 0 EHADRM Cc1ccccc1C1CCN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)CC1 ZINC000864109053 979699809 /nfs/dbraw/zinc/69/98/09/979699809.db2.gz MPROLOOZZYYZPE-VQHVLOKHSA-N -1 0 339.391 3.706 20 0 EHADRM CC(C)[C@H](c1ccccc1)N(C)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000864110286 979700377 /nfs/dbraw/zinc/70/03/77/979700377.db2.gz PCVXWGFBLPBVRG-NCUBBLFSSA-N -1 0 327.380 3.847 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)/C=C/c2cc(C(=O)[O-])co2)C1 ZINC000864111685 979702645 /nfs/dbraw/zinc/70/26/45/979702645.db2.gz LJFHONWBJJLJEI-MHKRFPNSSA-N -1 0 339.391 3.704 20 0 EHADRM CC[C@](CNC(=O)c1cccc(Cl)c1C)(C(=O)[O-])c1ccccc1 ZINC001595164257 979706285 /nfs/dbraw/zinc/70/62/85/979706285.db2.gz QFAAQCQKDSLHAX-LJQANCHMSA-N -1 0 345.826 3.811 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(-c2ccccc2OC)s1 ZINC000864119168 979713453 /nfs/dbraw/zinc/71/34/53/979713453.db2.gz WQSMAGMTIULNLX-SFHVURJKSA-N -1 0 347.436 3.797 20 0 EHADRM CC(C)C[C@H](CNC(=O)/C=C\c1ccsc1C(F)(F)F)C(=O)[O-] ZINC000864122581 979720051 /nfs/dbraw/zinc/72/00/51/979720051.db2.gz SWUNHWRUEJTMEV-DLRQAJBASA-N -1 0 349.374 3.643 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)Cc1csc2sc(C)cc12 ZINC000864124233 979723614 /nfs/dbraw/zinc/72/36/14/979723614.db2.gz LBTFDGSKHZLEGD-VIFPVBQESA-N -1 0 325.455 3.525 20 0 EHADRM CSCCCCCCC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000864129973 979731139 /nfs/dbraw/zinc/73/11/39/979731139.db2.gz KAMRCFWXJOBNAK-MRXNPFEDSA-N -1 0 335.469 3.511 20 0 EHADRM C[C@@H](Cc1ccc(NC[C@H](O)c2cccc(Cl)c2)cc1)C(=O)[O-] ZINC001592876591 979740233 /nfs/dbraw/zinc/74/02/33/979740233.db2.gz AWPWMDHHTHGSGK-SJCJKPOMSA-N -1 0 333.815 3.749 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2nc(C(C)(C)C)cs2)cc1)C(=O)[O-] ZINC001592877017 979742456 /nfs/dbraw/zinc/74/24/56/979742456.db2.gz GURVKKLEFZHONF-LLVKDONJSA-N -1 0 346.452 3.956 20 0 EHADRM CCC(CC)(NC(=O)/C=C/c1ccsc1C(F)(F)F)C(=O)[O-] ZINC000864140240 979744513 /nfs/dbraw/zinc/74/45/13/979744513.db2.gz VHKMTFRCWYYAFU-AATRIKPKSA-N -1 0 335.347 3.540 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2coc3cc(O)ccc32)cc1)C(=O)[O-] ZINC001592877576 979744611 /nfs/dbraw/zinc/74/46/11/979744611.db2.gz NFFFOEPAVRCKGZ-LLVKDONJSA-N -1 0 339.347 3.654 20 0 EHADRM C[C@]1(Cc2ccccc2)CCCN1C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000864144393 979749623 /nfs/dbraw/zinc/74/96/23/979749623.db2.gz RYQBZDBRIRWFDI-ZTBDEIDFSA-N -1 0 339.391 3.615 20 0 EHADRM COc1ccccc1-c1ccc(C(=O)N2CCC[C@@H]2CC(=O)[O-])s1 ZINC000864146211 979751131 /nfs/dbraw/zinc/75/11/31/979751131.db2.gz VGWGKMWEWGZTBZ-GFCCVEGCSA-N -1 0 345.420 3.503 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)C2([C@H]3CCCCO3)CCC2)cc1 ZINC000864149356 979758134 /nfs/dbraw/zinc/75/81/34/979758134.db2.gz PYCFDJNTJSPSEA-CZUORRHYSA-N -1 0 331.412 3.553 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)C2([C@H]3CCCCO3)CCC2)cc1 ZINC000864149357 979758214 /nfs/dbraw/zinc/75/82/14/979758214.db2.gz PYCFDJNTJSPSEA-XJKSGUPXSA-N -1 0 331.412 3.553 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)N1[C@@H](C)CC(C(=O)[O-])C[C@@H]1C ZINC001592883424 979760317 /nfs/dbraw/zinc/76/03/17/979760317.db2.gz QPSJQKLTWLFMJH-AGIUHOORSA-N -1 0 337.847 3.619 20 0 EHADRM Cc1cc2[nH]c(C(=O)N3CC[C@H](C(=O)[O-])[C@H]4CCC[C@@H]43)cc2c(C)c1 ZINC000864174151 979809978 /nfs/dbraw/zinc/80/99/78/979809978.db2.gz DJJXRQYWCLFCIA-GLJUWKHASA-N -1 0 340.423 3.500 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3c(cccc3F)s2)[C@H]2CCC[C@@H]21 ZINC000864175926 979817051 /nfs/dbraw/zinc/81/70/51/979817051.db2.gz ODWAPHAZZWIKCZ-GYSYKLTISA-N -1 0 347.411 3.756 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2ccc(/C=C\C(=O)[O-])o2)C(C)C)c1 ZINC000864175936 979817190 /nfs/dbraw/zinc/81/71/90/979817190.db2.gz UDEAXPRBALVCSM-IQBZNYMQSA-N -1 0 327.380 3.813 20 0 EHADRM CC(C)n1ccc(C[C@H](C)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)n1 ZINC001592902488 979827459 /nfs/dbraw/zinc/82/74/59/979827459.db2.gz IRAOBSIQANELFT-LBPRGKRZSA-N -1 0 326.400 3.687 20 0 EHADRM Cc1c(C(=O)N[C@](C)(CC(=O)[O-])C2CC2)oc2c1c(C)ccc2C ZINC000864198674 979871064 /nfs/dbraw/zinc/87/10/64/979871064.db2.gz JIWBPJFQSBCOAX-LJQANCHMSA-N -1 0 329.396 3.731 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@@](C)(CC(=O)[O-])C2CC2)c1 ZINC000864199278 979873327 /nfs/dbraw/zinc/87/33/27/979873327.db2.gz SBEMELQOEBYWFE-XOBRGWDASA-N -1 0 347.455 3.645 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000864227439 979915991 /nfs/dbraw/zinc/91/59/91/979915991.db2.gz ZDDPWCXSVLTUSQ-JCGIZDLHSA-N -1 0 335.403 3.704 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N[C@H](CC(=O)[O-])c1cccc(C)c1 ZINC000864233868 979931951 /nfs/dbraw/zinc/93/19/51/979931951.db2.gz ZNDDYNBGDAIVKV-MRXNPFEDSA-N -1 0 329.396 3.966 20 0 EHADRM C[C@@H](c1ccc(C(=O)NCc2cc(C(=O)[O-])co2)cc1)C(F)(F)F ZINC000864358548 979932750 /nfs/dbraw/zinc/93/27/50/979932750.db2.gz AHXYWCLZKZJKPN-VIFPVBQESA-N -1 0 341.285 3.574 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)N(CC1CC1)[C@](C)(CC)C(=O)[O-] ZINC001595210690 979985250 /nfs/dbraw/zinc/98/52/50/979985250.db2.gz JJEHMMMYYKOBTQ-FXAWDEMLSA-N -1 0 331.456 3.747 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001595212127 979996546 /nfs/dbraw/zinc/99/65/46/979996546.db2.gz XCJFMXFXPAUQIA-HNNXBMFYSA-N -1 0 343.398 3.969 20 0 EHADRM CC[C@H](Cc1cn(C2c3ccccc3-c3ccccc32)nn1)C(=O)[O-] ZINC001595218108 980030153 /nfs/dbraw/zinc/03/01/53/980030153.db2.gz JUEVULLWNPYDLF-CYBMUJFWSA-N -1 0 333.391 3.550 20 0 EHADRM CC[C@@H](Cc1ccccc1C(F)(F)F)Nc1cncc(C(=O)[O-])n1 ZINC001595218893 980035096 /nfs/dbraw/zinc/03/50/96/980035096.db2.gz KROLXOSAQCACJX-NSHDSACASA-N -1 0 339.317 3.627 20 0 EHADRM COc1ccc2c(c1)CC[C@@H]2C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000872718778 980099199 /nfs/dbraw/zinc/09/91/99/980099199.db2.gz GPTPNYUFMKJCDA-INIZCTEOSA-N -1 0 339.391 3.679 20 0 EHADRM CC[C@](NC(=O)/C=C/c1ccc2[nH]ccc2c1)(C(=O)[O-])c1ccccc1 ZINC001595237864 980151540 /nfs/dbraw/zinc/15/15/40/980151540.db2.gz XWLNGAWQAYBOAI-FKVRIVCVSA-N -1 0 348.402 3.687 20 0 EHADRM CC[C@@](NC(=O)Cc1cccc(C)c1Cl)(C(=O)[O-])c1ccccc1 ZINC001595242589 980166999 /nfs/dbraw/zinc/16/69/99/980166999.db2.gz BXRXCZMSNUOMEQ-IBGZPJMESA-N -1 0 345.826 3.697 20 0 EHADRM CC[C@H](NC(=O)N1CCc2cc(C(=O)[O-])ccc2C1)C1CCCCC1 ZINC001595247339 980189943 /nfs/dbraw/zinc/18/99/43/980189943.db2.gz LSKOWFWCXZSCFT-SFHVURJKSA-N -1 0 344.455 3.811 20 0 EHADRM C[C@H](NC(=O)C1(C(=O)[O-])CC2(CCC2)C1)c1ccc2ncsc2c1 ZINC001592994459 980204252 /nfs/dbraw/zinc/20/42/52/980204252.db2.gz YXHVIUSPNKHJGH-NSHDSACASA-N -1 0 344.436 3.509 20 0 EHADRM CC[C@@H](NC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccc(C)cc1 ZINC001595251263 980211076 /nfs/dbraw/zinc/21/10/76/980211076.db2.gz YJVGIOOXAKKEGZ-WCQYABFASA-N -1 0 347.440 3.661 20 0 EHADRM CCOC(=O)/C(=C\c1cc(C(=O)[O-])co1)c1nc(C(C)C)c(C)s1 ZINC000899363641 980228540 /nfs/dbraw/zinc/22/85/40/980228540.db2.gz FRUPUAGODCKWAS-QPEQYQDCSA-N -1 0 349.408 3.970 20 0 EHADRM CC(C)(CCNc1nc(-c2ccccn2)nc2sccc21)C(=O)[O-] ZINC000900961138 980254031 /nfs/dbraw/zinc/25/40/31/980254031.db2.gz GEZNFWFTLSMESK-UHFFFAOYSA-N -1 0 342.424 3.666 20 0 EHADRM CC[C@@H](NC(=O)c1cc(C(=O)[O-])ccn1)c1cccc2ccccc21 ZINC001595264088 980268939 /nfs/dbraw/zinc/26/89/39/980268939.db2.gz SULJKIBJDRUEPD-QGZVFWFLSA-N -1 0 334.375 3.814 20 0 EHADRM C[C@@H](NC(=O)CCc1ccccc1C(=O)[O-])C1CCC(F)(F)CC1 ZINC001593020127 980278387 /nfs/dbraw/zinc/27/83/87/980278387.db2.gz VJTMWQLIKIHJPH-GFCCVEGCSA-N -1 0 339.382 3.648 20 0 EHADRM Cc1nc(C2CCC2)sc1CC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000901437328 980285966 /nfs/dbraw/zinc/28/59/66/980285966.db2.gz HPFDKKRCKDUDRN-UHFFFAOYSA-N -1 0 344.436 3.527 20 0 EHADRM [O-]c1cc(F)c(-c2ncnc3cc(C(F)(F)F)cnc32)cc1F ZINC001206767562 1014644168 /nfs/dbraw/zinc/64/41/68/1014644168.db2.gz GAFRILXPXYEJLM-UHFFFAOYSA-N -1 0 327.212 3.694 20 0 EHADRM O=C([O-])/C=C/c1ccc(CN[C@@H]2CCCOc3c(F)cccc32)o1 ZINC000901440182 980289174 /nfs/dbraw/zinc/28/91/74/980289174.db2.gz ZXHZCIFDODSECQ-ROJDOSBLSA-N -1 0 331.343 3.520 20 0 EHADRM O=C([O-])/C=C/c1ccc(CN[C@H]2CCCOc3c(F)cccc32)o1 ZINC000901440179 980289402 /nfs/dbraw/zinc/28/94/02/980289402.db2.gz ZXHZCIFDODSECQ-FDMDGMSGSA-N -1 0 331.343 3.520 20 0 EHADRM C[C@@H](CC(C)(C)CC(=O)[O-])Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000901443380 980290858 /nfs/dbraw/zinc/29/08/58/980290858.db2.gz YTFUZVKKWUMSQC-KPWVOAKYSA-N -1 0 345.892 3.910 20 0 EHADRM CN(C)C(=O)c1ccc(N[C@@H]2CCC[C@H](CCCC(=O)[O-])C2)cc1 ZINC000901470477 980302261 /nfs/dbraw/zinc/30/22/61/980302261.db2.gz QXDBBZRMGXOTGD-RHSMWYFYSA-N -1 0 332.444 3.614 20 0 EHADRM CC(C)(CC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)CC(F)(F)F ZINC000901501182 980319520 /nfs/dbraw/zinc/31/95/20/980319520.db2.gz DOYJHGOHOOHWJG-SRVKXCTJSA-N -1 0 335.366 3.599 20 0 EHADRM CC[C@](NCc1ccc(Br)o1)(C(=O)[O-])c1ccccc1 ZINC000901650949 980429174 /nfs/dbraw/zinc/42/91/74/980429174.db2.gz LKSHPZSBJFGHPV-OAHLLOKOSA-N -1 0 338.201 3.522 20 0 EHADRM CN(C)c1cc(Cl)cc(Cl)c1CNCc1ccc(C(=O)[O-])o1 ZINC000901660881 980431571 /nfs/dbraw/zinc/43/15/71/980431571.db2.gz KPBHGBUFKMOPTD-UHFFFAOYSA-N -1 0 343.210 3.640 20 0 EHADRM COCc1cc(NCc2c(C)nn(C(C)(C)C)c2C)cc(C(=O)[O-])c1 ZINC000901738722 980472152 /nfs/dbraw/zinc/47/21/52/980472152.db2.gz WPIXUKOWKAEBSL-UHFFFAOYSA-N -1 0 345.443 3.712 20 0 EHADRM COCc1cc(NCc2ccc(SC)c(OC)c2)cc(C(=O)[O-])c1 ZINC000901739678 980472912 /nfs/dbraw/zinc/47/29/12/980472912.db2.gz RVKIFWAVPGVZFK-UHFFFAOYSA-N -1 0 347.436 3.874 20 0 EHADRM CCn1c(CNc2cc(COC)cc(C(=O)[O-])c2)nc2ccccc21 ZINC000901739380 980472928 /nfs/dbraw/zinc/47/29/28/980472928.db2.gz NPOLBDQTCUBVMD-UHFFFAOYSA-N -1 0 339.395 3.513 20 0 EHADRM CCc1nocc1CNc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC000901777452 980507309 /nfs/dbraw/zinc/50/73/09/980507309.db2.gz RXHLOZAONYAUKD-UHFFFAOYSA-N -1 0 329.400 3.538 20 0 EHADRM CC(C)n1nccc1CNc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC000901776543 980507522 /nfs/dbraw/zinc/50/75/22/980507522.db2.gz OVAHBPQAXUQRLA-UHFFFAOYSA-N -1 0 342.443 3.765 20 0 EHADRM COCCOc1cccc(CNc2cccc([C@H](C)C(=O)[O-])c2)c1 ZINC000901813276 980534323 /nfs/dbraw/zinc/53/43/23/980534323.db2.gz DDCAPGRFINRUNR-AWEZNQCLSA-N -1 0 329.396 3.512 20 0 EHADRM CC(C)N(C)c1ccc(CNc2cccc([C@@H](C)C(=O)[O-])c2)cn1 ZINC000901818258 980538163 /nfs/dbraw/zinc/53/81/63/980538163.db2.gz WKEYGLRYRWDYEY-CQSZACIVSA-N -1 0 327.428 3.726 20 0 EHADRM CC[C@](NCc1cnc(C2CC2)o1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000901872434 980585823 /nfs/dbraw/zinc/58/58/23/980585823.db2.gz KPBVSYPVKIMNSN-QGZVFWFLSA-N -1 0 334.803 3.685 20 0 EHADRM CC[C@H](OC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)[C@H](C)C(=O)[O-] ZINC001595338755 980609275 /nfs/dbraw/zinc/60/92/75/980609275.db2.gz ZLGUWHJERXISCU-UWJYBYFXSA-N -1 0 336.281 3.759 20 0 EHADRM CCc1nc(C)c([C@H](C)N(C)C(=O)/C=C/c2ccc(C(=O)[O-])o2)s1 ZINC000901922426 980628794 /nfs/dbraw/zinc/62/87/94/980628794.db2.gz NLIUZRAQJBITTG-DJYGCBNOSA-N -1 0 348.424 3.538 20 0 EHADRM Cc1cc(CNCc2c(Cl)cccc2OC(F)F)oc1C(=O)[O-] ZINC000901938523 980640321 /nfs/dbraw/zinc/64/03/21/980640321.db2.gz IRALFMLTVHBNDI-UHFFFAOYSA-N -1 0 345.729 3.831 20 0 EHADRM CC(C)N(C)c1ccc(CNc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)cn1 ZINC000901944524 980643772 /nfs/dbraw/zinc/64/37/72/980643772.db2.gz BEHFGISDDCFNCZ-ZWKOTPCHSA-N -1 0 339.439 3.726 20 0 EHADRM CC[C@@H](OC(=O)c1ccc(Oc2ccccc2Cl)nc1)C(=O)[O-] ZINC001595352204 980666844 /nfs/dbraw/zinc/66/68/44/980666844.db2.gz UZJXJVXPRFSHIG-GFCCVEGCSA-N -1 0 335.743 3.547 20 0 EHADRM CC[C@@H](OC)C(=O)Nc1ccc(Oc2ccccc2)cc1C(=O)[O-] ZINC001595354609 980693982 /nfs/dbraw/zinc/69/39/82/980693982.db2.gz AEOPZKZAEFXHEY-MRXNPFEDSA-N -1 0 329.352 3.541 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001595354960 980697658 /nfs/dbraw/zinc/69/76/58/980697658.db2.gz JMKBPQGYRWEEBV-NOLJZWGESA-N -1 0 349.427 3.706 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC001595355916 980707228 /nfs/dbraw/zinc/70/72/28/980707228.db2.gz RGCWLKYGGBXNIC-GOSISDBHSA-N -1 0 345.439 3.792 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001595356902 980717326 /nfs/dbraw/zinc/71/73/26/980717326.db2.gz MIJVBWOOAPACEV-ZDUSSCGKSA-N -1 0 349.333 3.768 20 0 EHADRM O=C([O-])CCC[C@H]1CCC[C@@H](Nc2cccc(Cn3cncn3)c2)C1 ZINC000902120079 980744006 /nfs/dbraw/zinc/74/40/06/980744006.db2.gz YFDPWCPPMNCRBN-NVXWUHKLSA-N -1 0 342.443 3.552 20 0 EHADRM CC[C@H](c1ccccc1)[C@H]1CCCN1c1nc(C)cc(C(=O)[O-])n1 ZINC001595360386 980751388 /nfs/dbraw/zinc/75/13/88/980751388.db2.gz VWUBDVSYDCZRLZ-NVXWUHKLSA-N -1 0 325.412 3.646 20 0 EHADRM CC[C@@H](C)C(=O)Nc1cccc(CNCc2cc(C)c(C(=O)[O-])o2)c1 ZINC000902144397 980755915 /nfs/dbraw/zinc/75/59/15/980755915.db2.gz OBURJBKSLVEAMP-GFCCVEGCSA-N -1 0 344.411 3.561 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)C[C@@H](C)c1ccco1 ZINC001595362048 980767841 /nfs/dbraw/zinc/76/78/41/980767841.db2.gz VEYLVMJKYWHBAP-GDBMZVCRSA-N -1 0 329.396 3.838 20 0 EHADRM O=C([O-])/C=C\c1ccc(CN[C@@H]2CCCOc3ccc(F)cc32)o1 ZINC000902176494 980769697 /nfs/dbraw/zinc/76/96/97/980769697.db2.gz KWVSSHQKIFDIDH-QKIRZYONSA-N -1 0 331.343 3.520 20 0 EHADRM CC[C@H](c1ccccc1)N(CC)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001595363938 980788503 /nfs/dbraw/zinc/78/85/03/980788503.db2.gz MPMRLCARNDCDOR-DVFVSVACSA-N -1 0 327.380 3.991 20 0 EHADRM CC[C@H](c1ccccc1)N(CC)C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001595364590 980795262 /nfs/dbraw/zinc/79/52/62/980795262.db2.gz SVCFPOYNHKBCAD-MRXNPFEDSA-N -1 0 327.384 3.785 20 0 EHADRM Cc1cc(CNc2cccc(C[S@](=O)C(C)(C)C)c2)oc1C(=O)[O-] ZINC000902267142 980808462 /nfs/dbraw/zinc/80/84/62/980808462.db2.gz CLPGNMDSMNSYMS-DEOSSOPVSA-N -1 0 349.452 3.946 20 0 EHADRM CC(C)(C)[C@H](NCc1cccc(C(=O)[O-])n1)c1ccc(F)cc1F ZINC000902381411 980864114 /nfs/dbraw/zinc/86/41/14/980864114.db2.gz NDIZRPRAAKPFSX-MRXNPFEDSA-N -1 0 334.366 3.935 20 0 EHADRM O=C([O-])/C=C/c1ccc(CNC2(c3c(F)cccc3F)CCC2)o1 ZINC000902491543 980908253 /nfs/dbraw/zinc/90/82/53/980908253.db2.gz LRLUZSGNTWBHGN-BQYQJAHWSA-N -1 0 333.334 3.825 20 0 EHADRM CCc1oc(CNCC(F)(F)c2ccc(F)cc2F)cc1C(=O)[O-] ZINC000902496796 980910497 /nfs/dbraw/zinc/91/04/97/980910497.db2.gz KSIMVNIBFKJWNE-UHFFFAOYSA-N -1 0 345.292 3.700 20 0 EHADRM CC[C@H]1CN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)[C@H](C)CO1 ZINC000902534880 980926582 /nfs/dbraw/zinc/92/65/82/980926582.db2.gz VENUAZVNMZTJLP-KGLIPLIRSA-N -1 0 329.396 3.644 20 0 EHADRM CO[C@@H](CNc1ccc(SC)c(C(=O)[O-])c1)Cc1ccccc1 ZINC000902569200 980938327 /nfs/dbraw/zinc/93/83/27/980938327.db2.gz FZPZQHVYSWTQRU-OAHLLOKOSA-N -1 0 331.437 3.776 20 0 EHADRM CC[C@H]1C[C@H](C(=O)Oc2c(C(=O)[O-])ccc3ccccc32)CCO1 ZINC001595408092 980996398 /nfs/dbraw/zinc/99/63/98/980996398.db2.gz GDMZBVNXUJICIX-KGLIPLIRSA-N -1 0 328.364 3.649 20 0 EHADRM CC[C@@H]1C[C@H](CC(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)CCO1 ZINC001595412279 981009667 /nfs/dbraw/zinc/00/96/67/981009667.db2.gz BRHVSSQDSHTEBN-UKRRQHHQSA-N -1 0 334.412 3.550 20 0 EHADRM CC[C@@H]1C[C@@H](CC(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)CCO1 ZINC001595413751 981016588 /nfs/dbraw/zinc/01/65/88/981016588.db2.gz RSIFXQMILKIKRC-SGIREYDYSA-N -1 0 340.803 3.604 20 0 EHADRM CC[C@H]1C[C@@H](CC(=O)OCc2cc(C(=O)[O-])ccc2Cl)CCO1 ZINC001595413686 981016693 /nfs/dbraw/zinc/01/66/93/981016693.db2.gz QPRJHQVXPLVMEU-FZMZJTMJSA-N -1 0 340.803 3.677 20 0 EHADRM CCC1CCC(N(C)C(=O)Nc2cc(COC)cc(C(=O)[O-])c2)CC1 ZINC001595420409 981035056 /nfs/dbraw/zinc/03/50/56/981035056.db2.gz JXPWTUCDVSLBSQ-UHFFFAOYSA-N -1 0 348.443 3.964 20 0 EHADRM CCC1CCC(NC(=O)[C@@H](C)c2c(F)cccc2F)(C(=O)[O-])CC1 ZINC001595420718 981037678 /nfs/dbraw/zinc/03/76/78/981037678.db2.gz XMZAJRSUSIYLOC-OMTHAAKESA-N -1 0 339.382 3.608 20 0 EHADRM CCC1CCC(NC(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)(C(=O)[O-])CC1 ZINC001595420925 981039360 /nfs/dbraw/zinc/03/93/60/981039360.db2.gz QFNCWVMDHITKMV-BFASVIAVSA-N -1 0 347.430 3.859 20 0 EHADRM CC[C@H]1CCC[C@@H]1C(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC001595436974 981073005 /nfs/dbraw/zinc/07/30/05/981073005.db2.gz ZCULUKRCNGIJMD-ZFWWWQNUSA-N -1 0 341.411 3.644 20 0 EHADRM CC[C@@H]1CCCC[C@H]1N(C)C(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC001595445087 981091488 /nfs/dbraw/zinc/09/14/88/981091488.db2.gz VVPMTVSQHGCBON-GDBMZVCRSA-N -1 0 348.443 3.504 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001595448062 981096880 /nfs/dbraw/zinc/09/68/80/981096880.db2.gz LHBIUYRDCVNCKZ-OLZOCXBDSA-N -1 0 339.457 3.987 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001595449037 981101702 /nfs/dbraw/zinc/10/17/02/981101702.db2.gz YVSMCFPXXXZAMN-DOMZBBRYSA-N -1 0 337.391 3.756 20 0 EHADRM Cc1ccc([C@@H](NCc2nc(C(F)(F)F)cs2)C(=O)[O-])cc1C ZINC000905380473 981101938 /nfs/dbraw/zinc/10/19/38/981101938.db2.gz KUULXAQLGNGRFO-CYBMUJFWSA-N -1 0 344.358 3.694 20 0 EHADRM CC[C@@H]1CCN(C(=O)Nc2cccc(SCCC(=O)[O-])c2)[C@@H]1C ZINC001595460019 981141838 /nfs/dbraw/zinc/14/18/38/981141838.db2.gz QGQHMCAUKXXGCR-CHWSQXEVSA-N -1 0 336.457 3.906 20 0 EHADRM CC(C)(C)c1ncc(CNc2cc(C(=O)[O-])cc3cccnc32)cn1 ZINC000905759498 981145195 /nfs/dbraw/zinc/14/51/95/981145195.db2.gz MMWUCYNIAGOGKD-UHFFFAOYSA-N -1 0 336.395 3.633 20 0 EHADRM Cc1cc(CN[C@H](C)c2cc(Cl)cc3c2OCC3)oc1C(=O)[O-] ZINC000905769702 981146906 /nfs/dbraw/zinc/14/69/06/981146906.db2.gz IGZBHHKVULQWFY-SNVBAGLBSA-N -1 0 335.787 3.725 20 0 EHADRM CC[C@@H]1CCc2ccccc2N1CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001595467121 981154532 /nfs/dbraw/zinc/15/45/32/981154532.db2.gz DXCQNDHUHQPQMV-QGZVFWFLSA-N -1 0 338.407 3.555 20 0 EHADRM CC[C@H]1CCc2nc(NC(=O)c3ccsc3C(=O)[O-])sc2C1 ZINC001595473611 981183665 /nfs/dbraw/zinc/18/36/65/981183665.db2.gz YPLUNQMNGJKYQD-QMMMGPOBSA-N -1 0 336.438 3.670 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2ccccc2C2(C)CC2)C1 ZINC000907625821 981201521 /nfs/dbraw/zinc/20/15/21/981201521.db2.gz BEQAXGQBADQBTC-CQSZACIVSA-N -1 0 329.440 3.701 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2ccccc2C2CCC2)C1 ZINC000907629757 981202089 /nfs/dbraw/zinc/20/20/89/981202089.db2.gz SSMBUFSMASUJOI-HNNXBMFYSA-N -1 0 329.440 3.917 20 0 EHADRM CC(C)Cc1ncc(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)s1 ZINC000907680917 981207034 /nfs/dbraw/zinc/20/70/34/981207034.db2.gz CSJVVOHGEVJSNN-NSHDSACASA-N -1 0 332.425 3.782 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2ccccc2C2CCC2)cc1F ZINC000907684571 981207682 /nfs/dbraw/zinc/20/76/82/981207682.db2.gz XRPBSXQHUHKYSA-UHFFFAOYSA-N -1 0 327.355 3.973 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2ccc(C3CC3)cc2F)C[C@H]1c1ccccc1 ZINC000907750680 981215138 /nfs/dbraw/zinc/21/51/38/981215138.db2.gz RAYXKTMZXDLBBK-YWZLYKJASA-N -1 0 339.366 3.900 20 0 EHADRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)c3cccc(C4CCCC4)c3)[C@@H]2C1 ZINC000907946407 981244055 /nfs/dbraw/zinc/24/40/55/981244055.db2.gz OWOWBVHETMIMGP-XDNAFOTISA-N -1 0 327.424 3.573 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)NCCCCC2(C(=O)[O-])CCC2)c1 ZINC000908340539 981304396 /nfs/dbraw/zinc/30/43/96/981304396.db2.gz ZHELZVSMMNVBPA-HNNXBMFYSA-N -1 0 347.455 3.730 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)CCc2cccc3ccccc32)C1 ZINC000908376920 981310775 /nfs/dbraw/zinc/31/07/75/981310775.db2.gz ZUOACUZJXJMAPV-PBHICJAKSA-N -1 0 325.408 3.532 20 0 EHADRM CC(C(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1)=C1CCC1 ZINC000908420071 981316453 /nfs/dbraw/zinc/31/64/53/981316453.db2.gz SSKSDSQAKDBWAX-CQSZACIVSA-N -1 0 341.329 3.838 20 0 EHADRM CC/C=C\[C@@H](OC(=O)c1csc(-c2ccccc2C)n1)C(=O)[O-] ZINC001595515214 981321953 /nfs/dbraw/zinc/32/19/53/981321953.db2.gz QFAHBYDURUOJPG-RXTQTKKPSA-N -1 0 331.393 3.695 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C1CCC(C(F)(F)F)CC1)c1cccs1 ZINC000908642070 981331484 /nfs/dbraw/zinc/33/14/84/981331484.db2.gz PIBXFEGAAAFMDG-ILDUYXDCSA-N -1 0 349.374 3.749 20 0 EHADRM O=C([O-])c1cc(C(=O)Nc2ccccc2SC2CCCC2)no1 ZINC000908729458 981349213 /nfs/dbraw/zinc/34/92/13/981349213.db2.gz KDOPLIPKNBLIBZ-UHFFFAOYSA-N -1 0 332.381 3.660 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000908752862 981354194 /nfs/dbraw/zinc/35/41/94/981354194.db2.gz RYWCRAUAPOGGHC-KRWDZBQOSA-N -1 0 343.810 3.775 20 0 EHADRM CC[C@H](C)Sc1ccc(NC(=O)c2cc(C(=O)[O-])on2)c(C)c1 ZINC000908766862 981357864 /nfs/dbraw/zinc/35/78/64/981357864.db2.gz TYTRUSRHIQMACM-JTQLQIEISA-N -1 0 334.397 3.824 20 0 EHADRM Cc1cc(C)cc([C@H](C)NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC000908784710 981362302 /nfs/dbraw/zinc/36/23/02/981362302.db2.gz DJUDDOJDRDYBSG-VMEOHVCESA-N -1 0 329.440 3.906 20 0 EHADRM CCC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001595532706 981373409 /nfs/dbraw/zinc/37/34/09/981373409.db2.gz MDRUYYVNLSUHSB-QOKNQOGYSA-N -1 0 349.858 3.937 20 0 EHADRM Cc1c(NC(=O)c2ccc(OC(C)(C)C)cn2)cccc1C(=O)[O-] ZINC000908841550 981375178 /nfs/dbraw/zinc/37/51/78/981375178.db2.gz FBTUNJCDFJFSOO-UHFFFAOYSA-N -1 0 328.368 3.518 20 0 EHADRM Cc1c(NC(=O)c2ccn(C3CCCCC3)n2)cccc1C(=O)[O-] ZINC000908845489 981376390 /nfs/dbraw/zinc/37/63/90/981376390.db2.gz YFELCRNVEIDDLW-UHFFFAOYSA-N -1 0 327.384 3.647 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)C[C@@H](C)c1c[nH]c2ccccc21 ZINC000908860400 981379522 /nfs/dbraw/zinc/37/95/22/981379522.db2.gz FXDZTLDBUSMRNB-CQSZACIVSA-N -1 0 330.428 3.621 20 0 EHADRM CCC[C@H](C(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)[O-])C(C)C ZINC001595536068 981379806 /nfs/dbraw/zinc/37/98/06/981379806.db2.gz NUEYCZNKLBAJDP-HOTGVXAUSA-N -1 0 331.412 3.617 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC000908902481 981385969 /nfs/dbraw/zinc/38/59/69/981385969.db2.gz SEXGGONVSQTLNH-AGUYFDCRSA-N -1 0 349.452 3.785 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)[C@@H]2CCCCC2(C)C)c1OC ZINC000909045605 981406776 /nfs/dbraw/zinc/40/67/76/981406776.db2.gz RDZLGKIYJMYYML-LBPRGKRZSA-N -1 0 335.400 3.557 20 0 EHADRM CC1(C)C[C@H](C(=O)Nc2ccccc2CC(=O)[O-])c2ccccc2O1 ZINC000909071002 981412200 /nfs/dbraw/zinc/41/22/00/981412200.db2.gz MHPFUOAAXRYPTP-HNNXBMFYSA-N -1 0 339.391 3.597 20 0 EHADRM CCC[C@@](C)(NC(=O)CCCOc1cccc2ccccc21)C(=O)[O-] ZINC001595546696 981413307 /nfs/dbraw/zinc/41/33/07/981413307.db2.gz FTHJSADMSAXYAP-HXUWFJFHSA-N -1 0 343.423 3.758 20 0 EHADRM CCC[C@@](C)(NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC001595546787 981414826 /nfs/dbraw/zinc/41/48/26/981414826.db2.gz SVAIBBKXXZSXAV-LEVJEWGPSA-N -1 0 327.380 3.823 20 0 EHADRM C[C@H](C(=O)NC1CCC(C(=O)[O-])CC1)c1ccc(C(F)(F)F)cc1 ZINC000909156866 981428294 /nfs/dbraw/zinc/42/82/94/981428294.db2.gz DGGMOPHIVPJPFS-JKDOVBDQSA-N -1 0 343.345 3.569 20 0 EHADRM CCC[C@](C)(NC(=O)c1ccc(-c2ccc(C=O)s2)cc1)C(=O)[O-] ZINC001595554281 981435863 /nfs/dbraw/zinc/43/58/63/981435863.db2.gz XSTOVLPRYIOHNR-SFHVURJKSA-N -1 0 345.420 3.601 20 0 EHADRM Cc1ccc(NC(=O)[C@@H](C)[C@H]2OCCc3sccc32)cc1C(=O)[O-] ZINC000909295129 981462851 /nfs/dbraw/zinc/46/28/51/981462851.db2.gz PNCYFVHGEIMRAK-MEDUHNTESA-N -1 0 345.420 3.643 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000653344148 1014736543 /nfs/dbraw/zinc/73/65/43/1014736543.db2.gz PGZZOZJYIKWZRM-INIZCTEOSA-N -1 0 346.814 3.701 20 0 EHADRM CCC[C@H](CC(C)C)C(=O)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001595578708 981502125 /nfs/dbraw/zinc/50/21/25/981502125.db2.gz HPLHOCBAMBYVQG-OLZOCXBDSA-N -1 0 338.473 3.620 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3)o2)C1 ZINC000909478872 981504967 /nfs/dbraw/zinc/50/49/67/981504967.db2.gz PTRKJRCWBWJSKO-CQSZACIVSA-N -1 0 327.380 3.664 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cc(O)c3ccccc3c2)C1 ZINC000909487895 981507227 /nfs/dbraw/zinc/50/72/27/981507227.db2.gz NVVNVHISLHLJNA-OAHLLOKOSA-N -1 0 341.407 3.508 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cccc3cc(O)ccc32)C1 ZINC000909491353 981508524 /nfs/dbraw/zinc/50/85/24/981508524.db2.gz HNIXBRLQYYLBHG-AWEZNQCLSA-N -1 0 341.407 3.508 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2coc(C3CCCCC3)n2)C1 ZINC000909491444 981508590 /nfs/dbraw/zinc/50/85/90/981508590.db2.gz PHOYBTYMGIHJSM-CQSZACIVSA-N -1 0 348.443 3.685 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)c(C(F)(F)F)o1 ZINC000909492003 981509508 /nfs/dbraw/zinc/50/95/08/981509508.db2.gz KQJYDXIBJBUKGX-JTQLQIEISA-N -1 0 347.333 3.570 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2coc(C3CCCCC3)n2)cc1 ZINC000909505659 981514080 /nfs/dbraw/zinc/51/40/80/981514080.db2.gz UXLDWJYYISRYQZ-UHFFFAOYSA-N -1 0 328.368 3.602 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@@H](c2ccncc2)C2CCCC2)cc1 ZINC000909505828 981514185 /nfs/dbraw/zinc/51/41/85/981514185.db2.gz JOMZLGFHSSFYID-LJQANCHMSA-N -1 0 338.407 3.621 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2ccn(C3CCCCC3)n2)c1 ZINC000909509684 981517148 /nfs/dbraw/zinc/51/71/48/981517148.db2.gz AYMWBOPYKVSXPP-UHFFFAOYSA-N -1 0 341.411 3.658 20 0 EHADRM CC[C@](O)(CC(=O)Nc1cc(C(=O)[O-])c(C)cc1C)c1ccccc1 ZINC000909512474 981519882 /nfs/dbraw/zinc/51/98/82/981519882.db2.gz FBPCAMAAFHTWLZ-FQEVSTJZSA-N -1 0 341.407 3.628 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C[C@H]1CCO[C@@H](C(C)C)C1 ZINC000909513052 981520449 /nfs/dbraw/zinc/52/04/49/981520449.db2.gz NHNHMKYUKSFOIT-WMLDXEAASA-N -1 0 333.428 3.781 20 0 EHADRM CCC[C@H](CC(C)C)C(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1 ZINC001595585777 981526051 /nfs/dbraw/zinc/52/60/51/981526051.db2.gz CGAIVXRRXLLTCF-GFCCVEGCSA-N -1 0 335.400 3.572 20 0 EHADRM Cc1ccc(F)c(CC(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC000909520195 981526110 /nfs/dbraw/zinc/52/61/10/981526110.db2.gz OFMKPHNJOZQOLP-ZDUSSCGKSA-N -1 0 329.371 3.579 20 0 EHADRM CCC[C@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1)C(C)(C)C ZINC001595598297 981567979 /nfs/dbraw/zinc/56/79/79/981567979.db2.gz JKERCELETRCZBO-ZACQAIPSSA-N -1 0 346.471 3.711 20 0 EHADRM CCC[C@@H](NC(=O)N1CCOc2cc(C(=O)[O-])ccc2C1)C(C)(C)C ZINC001595598871 981569613 /nfs/dbraw/zinc/56/96/13/981569613.db2.gz QABKFMVULHICHU-MRXNPFEDSA-N -1 0 348.443 3.504 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)C12CCC(C(=O)[O-])(CC1)CC2)C(F)(F)F ZINC000909728794 981582750 /nfs/dbraw/zinc/58/27/50/981582750.db2.gz DHFHICMRJPAJEO-VHWKEVPUSA-N -1 0 349.393 3.895 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(OC2CCC2)cc1 ZINC000909733051 981586102 /nfs/dbraw/zinc/58/61/02/981586102.db2.gz KLLSVJQEVYOYNO-UHFFFAOYSA-N -1 0 341.363 3.577 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)CC(C)(C)CC(F)(F)F ZINC000909733735 981586567 /nfs/dbraw/zinc/58/65/67/981586567.db2.gz ZCAHQSCLFLRKCV-UHFFFAOYSA-N -1 0 333.306 3.701 20 0 EHADRM CCC[C@H](OCC)C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC001595614667 981632145 /nfs/dbraw/zinc/63/21/45/981632145.db2.gz BXUGNABHHHXTGB-LBPRGKRZSA-N -1 0 339.457 3.859 20 0 EHADRM CCCC1(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)CCC1 ZINC001595615662 981637576 /nfs/dbraw/zinc/63/75/76/981637576.db2.gz RESCFHQETOJFEF-JKSUJKDBSA-N -1 0 349.858 3.937 20 0 EHADRM CCC[C@]1(C)CCCN(C(=O)N[C@@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001595616450 981644281 /nfs/dbraw/zinc/64/42/81/981644281.db2.gz WIPVXUFNQUUPDC-MEDUHNTESA-N -1 0 339.461 3.514 20 0 EHADRM CCCC1(CCC)CCCN1C(=O)NCc1ccccc1CC(=O)[O-] ZINC001595617147 981649500 /nfs/dbraw/zinc/64/95/00/981649500.db2.gz FWOBLLWRFHBJKT-UHFFFAOYSA-N -1 0 346.471 3.958 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)CCC[C@@H](O)c2ccccc2)c1 ZINC000909835336 981654199 /nfs/dbraw/zinc/65/41/99/981654199.db2.gz RQDWOMHOEZEJME-RDTXWAMCSA-N -1 0 341.407 3.717 20 0 EHADRM Cc1cccc(C)c1NCC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000909835570 981654893 /nfs/dbraw/zinc/65/48/93/981654893.db2.gz SVTCPGOTBSLOPW-AWEZNQCLSA-N -1 0 326.396 3.542 20 0 EHADRM Cc1nc(CC(C)C)oc1C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000909835618 981655101 /nfs/dbraw/zinc/65/51/01/981655101.db2.gz UJKMAHJTARZJQH-LLVKDONJSA-N -1 0 330.384 3.622 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)CCSCc2ccccn2)cc1 ZINC000909838241 981659283 /nfs/dbraw/zinc/65/92/83/981659283.db2.gz AKEICLCFZXUOIG-CYBMUJFWSA-N -1 0 344.436 3.532 20 0 EHADRM CC[C@@H]1C[C@H](C(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)CCO1 ZINC000909845231 981669184 /nfs/dbraw/zinc/66/91/84/981669184.db2.gz RFSCEFKZTADBMH-BRWVUGGUSA-N -1 0 339.476 3.512 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N[C@H](C)c1ccccc1OCc1ccccc1 ZINC001594757873 981682896 /nfs/dbraw/zinc/68/28/96/981682896.db2.gz SDROUJDWJHEJHV-ZBFHGGJFSA-N -1 0 341.407 3.554 20 0 EHADRM CCC[C@@H]1C[C@@H](C(=O)O[C@H](C(=O)[O-])c2ccccc2Cl)CCO1 ZINC001595620417 981689331 /nfs/dbraw/zinc/68/93/31/981689331.db2.gz HLVSDMBXSUFREQ-ZOWXZIJZSA-N -1 0 340.803 3.604 20 0 EHADRM CCC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001595621463 981700419 /nfs/dbraw/zinc/70/04/19/981700419.db2.gz IQHGEELLHOHYSS-SWLSCSKDSA-N -1 0 334.416 3.874 20 0 EHADRM CSc1ccccc1[C@H](C)NC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000909920170 981701953 /nfs/dbraw/zinc/70/19/53/981701953.db2.gz COCBQCUMJQIZDM-KAMYHZANSA-N -1 0 333.453 3.621 20 0 EHADRM CCC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001595622641 981712789 /nfs/dbraw/zinc/71/27/89/981712789.db2.gz UXXQMKIVNPDIJU-MLGOLLRUSA-N -1 0 336.407 3.682 20 0 EHADRM Cc1ccsc1CCCC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000909960182 981713481 /nfs/dbraw/zinc/71/34/81/981713481.db2.gz PJRZCLCVYPLKTG-HRCADAONSA-N -1 0 349.496 3.871 20 0 EHADRM CCC[C@@H]1CCC[C@@H]1C(=O)Nc1nc2nc(C)cc(C(=O)[O-])c2s1 ZINC001595622958 981715653 /nfs/dbraw/zinc/71/56/53/981715653.db2.gz YISHQCHZNUNBIF-MNOVXSKESA-N -1 0 347.440 3.853 20 0 EHADRM CCC[C@@H]1CCC[C@H]1C(=O)Oc1cc(/C=C/C(=O)[O-])ccc1OC ZINC001595622941 981715673 /nfs/dbraw/zinc/71/56/73/981715673.db2.gz XZGUNBQANIRVEG-IANUHJRKSA-N -1 0 332.396 3.915 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)Cc1ccc2cccnc2c1)c1ccccc1 ZINC001594767879 981726550 /nfs/dbraw/zinc/72/65/50/981726550.db2.gz KBASKAYJPMAQAQ-LJQANCHMSA-N -1 0 348.402 3.674 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@H](C)CSc1ccccc1 ZINC001594778020 981771865 /nfs/dbraw/zinc/77/18/65/981771865.db2.gz HOVZGNDGXXQKLL-KUHUBIRLSA-N -1 0 349.496 3.907 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001594782548 981791556 /nfs/dbraw/zinc/79/15/56/981791556.db2.gz RMIUUQVCCVDDJX-YJYMSZOUSA-N -1 0 335.419 3.811 20 0 EHADRM CCCC[C@H](C)C(=O)Oc1ccc(C(=O)[O-])cc1Br ZINC001595631519 981840152 /nfs/dbraw/zinc/84/01/52/981840152.db2.gz SFDNBQPMDGDGOM-VIFPVBQESA-N -1 0 329.190 3.879 20 0 EHADRM COc1cc(C)c([C@H](C)Nc2ccc(C(=O)[O-])c(C)n2)cc1OC ZINC000910286800 981841712 /nfs/dbraw/zinc/84/17/12/981841712.db2.gz DGPCHLFDACOODR-LBPRGKRZSA-N -1 0 330.384 3.587 20 0 EHADRM C[C@@H](c1ccc(C(=O)N2C3CCC2(C(=O)[O-])CC3)cc1)C(F)(F)F ZINC000910294243 981848178 /nfs/dbraw/zinc/84/81/78/981848178.db2.gz FUXCRXHDWLOSKQ-UFRSZFPASA-N -1 0 341.329 3.574 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cc(C2CC2)[nH]c1C1CC1 ZINC001594791373 981850117 /nfs/dbraw/zinc/85/01/17/981850117.db2.gz ISPJAYUNNFKGJJ-HXUWFJFHSA-N -1 0 344.455 3.875 20 0 EHADRM CCCC[C@@H](CCC)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001595632185 981850689 /nfs/dbraw/zinc/85/06/89/981850689.db2.gz BWODXUKUIHKMLH-CQSZACIVSA-N -1 0 341.473 3.578 20 0 EHADRM CCCC[C@@H](CC)CNC(=S)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001595632873 981861821 /nfs/dbraw/zinc/86/18/21/981861821.db2.gz UKXYRWINMRWWTP-CYBMUJFWSA-N -1 0 340.489 3.809 20 0 EHADRM CCCC[C@H](CC)CNC(=S)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001595632874 981862405 /nfs/dbraw/zinc/86/24/05/981862405.db2.gz UKXYRWINMRWWTP-ZDUSSCGKSA-N -1 0 340.489 3.809 20 0 EHADRM CCCC[C@@H](NC(=O)[C@@H](C)Oc1cccc(C(C)(C)C)c1)C(=O)[O-] ZINC001595634067 981881942 /nfs/dbraw/zinc/88/19/42/981881942.db2.gz FQGAOVRJNOJBQI-CZUORRHYSA-N -1 0 335.444 3.511 20 0 EHADRM CCC(C)(C)CNC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001594801839 981898741 /nfs/dbraw/zinc/89/87/41/981898741.db2.gz RYLOPVWSEVKLLD-UHFFFAOYSA-N -1 0 330.331 3.544 20 0 EHADRM CCCC[C@@H](NC(=O)CCCc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001595635536 981905277 /nfs/dbraw/zinc/90/52/77/981905277.db2.gz ZRJWHWORFBEGAU-CQSZACIVSA-N -1 0 345.361 3.788 20 0 EHADRM CCCC[C@@H](NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1)C(=O)[O-] ZINC001595636566 981918410 /nfs/dbraw/zinc/91/84/10/981918410.db2.gz BVVJXKYBFAOCMO-LLVKDONJSA-N -1 0 342.317 3.560 20 0 EHADRM CCC(C)(C)c1ccc(CNC(=O)c2ccsc2CC(=O)[O-])cc1 ZINC001594813981 981935414 /nfs/dbraw/zinc/93/54/14/981935414.db2.gz BGVUXPLFMCMIOZ-UHFFFAOYSA-N -1 0 345.464 3.993 20 0 EHADRM CCC(C)(C)c1ccc(CNC(=O)/C=C\c2cc(C(=O)[O-])co2)cc1 ZINC001594814629 981939774 /nfs/dbraw/zinc/93/97/74/981939774.db2.gz SLVWJKXKDZLWAC-KTKRTIGZSA-N -1 0 341.407 3.995 20 0 EHADRM CCC(C)(C)c1ccc(OC(=O)CCc2ocnc2C(=O)[O-])cc1 ZINC001594815506 981942107 /nfs/dbraw/zinc/94/21/07/981942107.db2.gz BLMDOCNWXNLQLC-UHFFFAOYSA-N -1 0 331.368 3.599 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1ccc(-c2cnco2)cc1 ZINC000910509967 981974373 /nfs/dbraw/zinc/97/43/73/981974373.db2.gz UDPLWCYAPJFHAV-UHFFFAOYSA-N -1 0 344.411 3.551 20 0 EHADRM CCCC[C@H](S[C@@H](C)C(=O)Nc1ccc(C)cc1F)C(=O)[O-] ZINC001595652191 982031542 /nfs/dbraw/zinc/03/15/42/982031542.db2.gz PUUKDBIUQMNFKJ-FZMZJTMJSA-N -1 0 327.421 3.838 20 0 EHADRM CCCC[C@H](S[C@H](C(=O)N1CCc2ccccc21)C(C)C)C(=O)[O-] ZINC001595652739 982036116 /nfs/dbraw/zinc/03/61/16/982036116.db2.gz XBRGYNCTAFRZMC-IRXDYDNUSA-N -1 0 349.496 3.977 20 0 EHADRM Cc1ccc([C@@H]2C[C@H]2C(=O)Nc2nc(CCC(=O)[O-])cs2)cc1C ZINC000910646313 982038568 /nfs/dbraw/zinc/03/85/68/982038568.db2.gz PCHGRFXNFIQLTN-LSDHHAIUSA-N -1 0 344.436 3.519 20 0 EHADRM CCCC[C@@H](S[C@@H]1CCCN(c2ccc(C)cc2)C1=O)C(=O)[O-] ZINC001595654459 982040656 /nfs/dbraw/zinc/04/06/56/982040656.db2.gz CGKBHFUAKYSGNE-HZPDHXFCSA-N -1 0 335.469 3.867 20 0 EHADRM CCCC[C@@H](SCC(=O)Nc1ccc(F)cc1Cl)C(=O)[O-] ZINC001595654895 982041902 /nfs/dbraw/zinc/04/19/02/982041902.db2.gz FXVYENMDLVJJCK-GFCCVEGCSA-N -1 0 333.812 3.794 20 0 EHADRM CCc1c(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)cnn1C(CC)CC ZINC000910657346 982044338 /nfs/dbraw/zinc/04/43/38/982044338.db2.gz WSBVUDAQKFPMRK-CSKARUKUSA-N -1 0 345.399 3.750 20 0 EHADRM CCc1c(NC(=O)c2ccc(C(=O)[O-])cc2F)cnn1C(CC)CC ZINC000910657355 982044419 /nfs/dbraw/zinc/04/44/19/982044419.db2.gz WZGXMFIXJSYFOA-UHFFFAOYSA-N -1 0 347.390 3.896 20 0 EHADRM Cc1c(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cnn1C1CCCC1 ZINC000910656833 982044890 /nfs/dbraw/zinc/04/48/90/982044890.db2.gz QWFMCTQUCSWPMA-UHFFFAOYSA-N -1 0 345.443 3.670 20 0 EHADRM Cc1cc(NC(=O)/C=C/c2cc(C(=O)[O-])co2)nn1C1CCCCC1 ZINC000910665996 982047185 /nfs/dbraw/zinc/04/71/85/982047185.db2.gz PTLJBPWZZLASHF-BQYQJAHWSA-N -1 0 343.383 3.640 20 0 EHADRM CC(C)c1ccccc1C(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2 ZINC000910686640 982062654 /nfs/dbraw/zinc/06/26/54/982062654.db2.gz YBSABCAUKWDHIG-LLVKDONJSA-N -1 0 344.436 3.708 20 0 EHADRM CCCCSCCC(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC000910698711 982068933 /nfs/dbraw/zinc/06/89/33/982068933.db2.gz GQHLIXDYKOHOLZ-UHFFFAOYSA-N -1 0 330.475 3.827 20 0 EHADRM CCCCC[C@H](C(=O)N1CCOc2cc(C(=O)[O-])ccc2C1)C(C)C ZINC001595662411 982078679 /nfs/dbraw/zinc/07/86/79/982078679.db2.gz CQUFLBHFPYXSJZ-KRWDZBQOSA-N -1 0 347.455 3.958 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)/C=C2/CC[C@H](C)C2)nc1C(=O)[O-] ZINC000910720388 982083279 /nfs/dbraw/zinc/08/32/79/982083279.db2.gz GPYLMNNCYOYMSW-OZKDWXSISA-N -1 0 334.441 3.560 20 0 EHADRM C[C@H](C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)c1cccc(F)c1 ZINC000910732248 982093994 /nfs/dbraw/zinc/09/39/94/982093994.db2.gz LASPILGUNMRRHF-QMMMGPOBSA-N -1 0 334.372 3.600 20 0 EHADRM CCCCC[C@H](C)CC(=O)N[C@@](C)(Cc1ccc(F)cc1)C(=O)[O-] ZINC001595666332 982099049 /nfs/dbraw/zinc/09/90/49/982099049.db2.gz IMQHWPJFTGOOEW-LIRRHRJNSA-N -1 0 337.435 3.934 20 0 EHADRM CCCCC[C@@](C)(CC)C(=O)N1CCc2ccc(C(=O)[O-])nc2C1 ZINC001595666546 982102662 /nfs/dbraw/zinc/10/26/62/982102662.db2.gz MKJHHJZFXMPNMH-LJQANCHMSA-N -1 0 332.444 3.661 20 0 EHADRM O=C([O-])c1nc(NC(=O)[C@@H](c2ccccc2)C2CC2)sc1C1CC1 ZINC000910744007 982107229 /nfs/dbraw/zinc/10/72/29/982107229.db2.gz SSLYEEIKXKGRAL-ZDUSSCGKSA-N -1 0 342.420 3.851 20 0 EHADRM CCCCC[C@@H](CC)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001595668998 982112497 /nfs/dbraw/zinc/11/24/97/982112497.db2.gz FRIYJTCVPMCHBT-BPQIPLTHSA-N -1 0 331.456 3.920 20 0 EHADRM CCCCC[C@H](NC(=O)C[C@@H]1CCC[C@H](C(F)(F)F)C1)C(=O)[O-] ZINC001595671855 982126686 /nfs/dbraw/zinc/12/66/86/982126686.db2.gz GXGPYBPLPUGIBE-AGIUHOORSA-N -1 0 337.382 3.895 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccccc2Nc2ccccc2)C[C@H]1CC(=O)[O-] ZINC000910868026 982156927 /nfs/dbraw/zinc/15/69/27/982156927.db2.gz APHWEQMQWJYSMU-HUUCEWRRSA-N -1 0 338.407 3.613 20 0 EHADRM CC(C)(C)OCc1ccccc1NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000910944070 982169693 /nfs/dbraw/zinc/16/96/93/982169693.db2.gz KKGOWTJEYZKRSY-LUAWRHEFSA-N -1 0 343.379 3.945 20 0 EHADRM CC(C)(C)OCc1ccccc1NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000910944071 982169789 /nfs/dbraw/zinc/16/97/89/982169789.db2.gz KKGOWTJEYZKRSY-PKNBQFBNSA-N -1 0 343.379 3.945 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N(Cc2cccc(F)c2)C2CCC2)o1 ZINC000910951666 982174178 /nfs/dbraw/zinc/17/41/78/982174178.db2.gz KSQFXWMSEJEMFP-NTMALXAHSA-N -1 0 343.354 3.711 20 0 EHADRM CCCCC[C@@H]1CCCN1C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001595690719 982200734 /nfs/dbraw/zinc/20/07/34/982200734.db2.gz ULFNKEVEPXHNJE-OAHLLOKOSA-N -1 0 342.439 3.911 20 0 EHADRM CCCCC[C@@H]1CCCN1C(=O)NCc1ccc(C(=O)[O-])c(OC)c1 ZINC001595690855 982202533 /nfs/dbraw/zinc/20/25/33/982202533.db2.gz VJLGUEBDEJNGKF-OAHLLOKOSA-N -1 0 348.443 3.648 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)/C=C/c2cc(C(=O)[O-])co2)c1 ZINC000911082650 982229069 /nfs/dbraw/zinc/22/90/69/982229069.db2.gz MEKDYSJMHFEKDI-BQYQJAHWSA-N -1 0 343.379 3.945 20 0 EHADRM CCCCCC[C@H](C)CC(=O)N[C@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC001595696973 982235846 /nfs/dbraw/zinc/23/58/46/982235846.db2.gz GPLXVUWFSDCNID-LIRRHRJNSA-N -1 0 347.455 3.860 20 0 EHADRM CCCCCCO[C@H](C)C(=O)N1c2ccccc2C[C@H](C)[C@@H]1C(=O)[O-] ZINC001595710072 982292621 /nfs/dbraw/zinc/29/26/21/982292621.db2.gz BHVXUBVHBKWHFA-HDMKZQKVSA-N -1 0 347.455 3.650 20 0 EHADRM CC(C)N(C)c1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1F ZINC000911228245 982301720 /nfs/dbraw/zinc/30/17/20/982301720.db2.gz SEBPLFURKPQIPS-UHFFFAOYSA-N -1 0 348.418 3.644 20 0 EHADRM CCCCCCOc1cccc([C@H]2NC(=S)NC(C)=C2C(=O)[O-])c1 ZINC001595715203 982312597 /nfs/dbraw/zinc/31/25/97/982312597.db2.gz PHTYUBLJKQTXFL-MRXNPFEDSA-N -1 0 348.468 3.523 20 0 EHADRM CCCCCc1ccc(NC(=O)Cc2ccc(C(=O)[O-])nc2)cc1 ZINC001595728446 982360798 /nfs/dbraw/zinc/36/07/98/982360798.db2.gz VRCSSTJLHZVKMB-UHFFFAOYSA-N -1 0 326.396 3.694 20 0 EHADRM CCN(C(=O)CCCC(=O)[O-])[C@H](c1ccc(C)cc1)c1cccnc1 ZINC000911353569 982376506 /nfs/dbraw/zinc/37/65/06/982376506.db2.gz UOAKBGUGCIKMFS-HXUWFJFHSA-N -1 0 340.423 3.583 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)c1cc2c(cccc2Cl)s1)C(=O)[O-] ZINC001594912201 982421248 /nfs/dbraw/zinc/42/12/48/982421248.db2.gz OGMFMFAYBWJJCX-ISVAXAHUSA-N -1 0 325.817 3.784 20 0 EHADRM CC[C@H](C)[C@@H](Nc1ccc(NC(=O)c2ccco2)c(C)c1)C(=O)[O-] ZINC001594920048 982461058 /nfs/dbraw/zinc/46/10/58/982461058.db2.gz GVNZWAAKIKXVQA-MEDUHNTESA-N -1 0 330.384 3.752 20 0 EHADRM CCCCO[C@@H]1C[C@H](NC(=O)Nc2cc(C(=O)[O-])ccc2C)C1(C)C ZINC001595769248 982497681 /nfs/dbraw/zinc/49/76/81/982497681.db2.gz ABSQUZUJUYAUOX-JKSUJKDBSA-N -1 0 348.443 3.799 20 0 EHADRM CCCCOc1ccc(C(=O)N(CCC(=O)[O-])C(C)C)c(Cl)c1 ZINC001595773981 982526679 /nfs/dbraw/zinc/52/66/79/982526679.db2.gz CZXWCSIKGLGYAC-UHFFFAOYSA-N -1 0 341.835 3.844 20 0 EHADRM C[C@H]1CCCC[C@@H]1C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000911598071 982529992 /nfs/dbraw/zinc/52/99/92/982529992.db2.gz HSZWTTHYIKHIBK-KSSFIOAISA-N -1 0 344.455 3.614 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)CCCC1CCCCC1)c1ccccn1 ZINC000911613156 982542243 /nfs/dbraw/zinc/54/22/43/982542243.db2.gz DDHPDXRAPUJYLZ-LJQANCHMSA-N -1 0 332.444 3.638 20 0 EHADRM CC[C@@H](C)C[C@H](C)NC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001594933854 982573203 /nfs/dbraw/zinc/57/32/03/982573203.db2.gz AMGWUMQIWKCEIW-ZJUUUORDSA-N -1 0 342.233 3.702 20 0 EHADRM O=C([O-])CC1(CC(=O)N2CCC[C@@H](CC(F)(F)F)C2)CCCC1 ZINC000911653241 982584011 /nfs/dbraw/zinc/58/40/11/982584011.db2.gz BMEZGWBPSMAXJF-LBPRGKRZSA-N -1 0 335.366 3.603 20 0 EHADRM CC/C(=C\C(=O)N[C@@H](CC(=O)[O-])c1ccncc1)c1ccc(C)cc1 ZINC000911658769 982588123 /nfs/dbraw/zinc/58/81/23/982588123.db2.gz HHBPYROADIRMTG-XOVFHRFOSA-N -1 0 338.407 3.516 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)NC23CCC(C(F)(F)F)(CC2)CC3)C1 ZINC000911696390 982603091 /nfs/dbraw/zinc/60/30/91/982603091.db2.gz CVHVHQFRMHBKMQ-RBAVJSINSA-N -1 0 347.377 3.649 20 0 EHADRM COCc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)cc1 ZINC000911739129 982621506 /nfs/dbraw/zinc/62/15/06/982621506.db2.gz LYLLVNBXCYIUBZ-UHFFFAOYSA-N -1 0 343.379 3.571 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)C1 ZINC000911743568 982625624 /nfs/dbraw/zinc/62/56/24/982625624.db2.gz RXVURRAVRJYOSL-APAFKAMOSA-N -1 0 341.451 3.815 20 0 EHADRM CCCCn1ncc(NC(=O)c2cc(F)cc(C(=O)[O-])c2)c1C(C)C ZINC001595807428 982634367 /nfs/dbraw/zinc/63/43/67/982634367.db2.gz MEUSKNGXIYIROR-UHFFFAOYSA-N -1 0 347.390 3.896 20 0 EHADRM CCn1cc(N(CC(C)C)C(=O)c2cc(C(=O)[O-])ccc2Cl)cn1 ZINC000911759232 982635859 /nfs/dbraw/zinc/63/58/59/982635859.db2.gz JNWVVSGXCYWXPM-UHFFFAOYSA-N -1 0 349.818 3.557 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)c1ccc(Oc2ccccc2)o1)C(=O)[O-] ZINC001594946151 982639326 /nfs/dbraw/zinc/63/93/26/982639326.db2.gz LKKRDPLJWYSKJC-TZMCWYRMSA-N -1 0 331.368 3.691 20 0 EHADRM O=C([O-])C[C@H](NC(=O)/C=C\c1ccc(Cl)s1)c1cccs1 ZINC000914731107 982657365 /nfs/dbraw/zinc/65/73/65/982657365.db2.gz QTZRWHCIVKOCBF-OAQKJQOQSA-N -1 0 341.841 3.808 20 0 EHADRM CCCN(C(=O)Cc1ccc(C(=O)[O-])nc1)[C@@H](CC)c1ccccc1 ZINC001595821774 982690363 /nfs/dbraw/zinc/69/03/63/982690363.db2.gz MFHZKLVNENIXML-SFHVURJKSA-N -1 0 340.423 3.712 20 0 EHADRM COc1cccc(C[C@@H](C)CC(=O)Nc2ccc(CC(=O)[O-])cc2)c1 ZINC000923076768 982709106 /nfs/dbraw/zinc/70/91/06/982709106.db2.gz VQYRHAJLWVLDRO-CQSZACIVSA-N -1 0 341.407 3.530 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)C[C@@H]1CCc2sccc2C1=O ZINC000923092653 982717894 /nfs/dbraw/zinc/71/78/94/982717894.db2.gz ODXUJHUMQMNBFG-VIFPVBQESA-N -1 0 349.433 3.590 20 0 EHADRM CCCN(C(=O)c1oc(C(=O)[O-])cc1C)[C@H](C)c1ccccc1OC ZINC001595831655 982722973 /nfs/dbraw/zinc/72/29/73/982722973.db2.gz NTBYAFJMNZKWNH-CYBMUJFWSA-N -1 0 345.395 3.908 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)c2ccsc2C(F)F)c1 ZINC000923104244 982727169 /nfs/dbraw/zinc/72/71/69/982727169.db2.gz UJUDFCVOQLJBSB-LBPRGKRZSA-N -1 0 339.363 3.940 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)CC(C)(C)CC(=O)c1ccc(C)cc1 ZINC001594970962 982738533 /nfs/dbraw/zinc/73/85/33/982738533.db2.gz BPNSBNQLCRYPOJ-OAHLLOKOSA-N -1 0 347.455 3.696 20 0 EHADRM Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2F)c1C ZINC000064696700 1014876936 /nfs/dbraw/zinc/87/69/36/1014876936.db2.gz XOMVSKNMFZXCOI-UHFFFAOYSA-N -1 0 341.791 3.789 20 0 EHADRM Cc1cc(C(F)F)oc1C(=O)NC[C@H](C(=O)[O-])C1CCCCCC1 ZINC000923175562 982826391 /nfs/dbraw/zinc/82/63/91/982826391.db2.gz VTXOZLQKONNMKN-LBPRGKRZSA-N -1 0 343.370 3.927 20 0 EHADRM O=C([O-])C12CCC(C(=O)Nc3cccc(-c4ccon4)c3)(CC1)CC2 ZINC000923219310 982849860 /nfs/dbraw/zinc/84/98/60/982849860.db2.gz AJAVWSLGHQTMBC-UHFFFAOYSA-N -1 0 340.379 3.705 20 0 EHADRM Cc1cc2c(cc1Br)C[N@H+]([C@H](CC(C)C)C(=O)[O-])CC2 ZINC000923271087 982853103 /nfs/dbraw/zinc/85/31/03/982853103.db2.gz KKRYQCXZIZKNOZ-OAHLLOKOSA-N -1 0 340.261 3.615 20 0 EHADRM CC[C@H](C)Oc1cc(Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)nc(C)n1 ZINC001595000856 982914296 /nfs/dbraw/zinc/91/42/96/982914296.db2.gz ZKGCKPPXXSOFEE-OLZOCXBDSA-N -1 0 343.427 3.969 20 0 EHADRM CCCN(Cc1ccc(F)cc1F)C(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001595889031 982920469 /nfs/dbraw/zinc/92/04/69/982920469.db2.gz WSBHZAJETQOKPZ-UHFFFAOYSA-N -1 0 337.322 3.617 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)N(C)C1(C(=O)[O-])CCCC1 ZINC001595006012 982922530 /nfs/dbraw/zinc/92/25/30/982922530.db2.gz UVFBQGFVRXSQSF-SSCKCOOKSA-N -1 0 345.439 3.733 20 0 EHADRM CCCN(Cc1ccccc1F)Cn1ncc2cc(C(=O)[O-])ccc21 ZINC001595891186 982925277 /nfs/dbraw/zinc/92/52/77/982925277.db2.gz NZHWKQCYKUSWFS-UHFFFAOYSA-N -1 0 341.386 3.743 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2CSc3ccccc32)cc1 ZINC001116479179 982930261 /nfs/dbraw/zinc/93/02/61/982930261.db2.gz MQKXJHOGYMQXGE-HOTGVXAUSA-N -1 0 341.432 3.517 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1[nH]c2ccc(C)cc2c1Cl ZINC001116492282 982932027 /nfs/dbraw/zinc/93/20/27/982932027.db2.gz YTUQVBGVEIOTKL-UHFFFAOYSA-N -1 0 336.819 3.893 20 0 EHADRM CC[C@H](C)c1ccc(OS(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1 ZINC001595009092 982932188 /nfs/dbraw/zinc/93/21/88/982932188.db2.gz CVRDRLPFFHQWGG-LBPRGKRZSA-N -1 0 348.420 3.974 20 0 EHADRM CC[C@@H](C)c1ccc(OS(=O)(=O)CC2(C(=O)[O-])CCCC2)cc1 ZINC001595010166 982939096 /nfs/dbraw/zinc/93/90/96/982939096.db2.gz OCZAMKCXYCKSFF-CYBMUJFWSA-N -1 0 340.441 3.554 20 0 EHADRM CO[C@H]1CCC[C@H](CC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC001118576886 982960294 /nfs/dbraw/zinc/96/02/94/982960294.db2.gz DESWHDSRVIHPEI-HZMBPMFUSA-N -1 0 325.792 3.572 20 0 EHADRM CCCNc1ccc(C(F)(F)F)cc1NC(=O)C[C@H](C)CC(=O)[O-] ZINC001595936978 983081208 /nfs/dbraw/zinc/08/12/08/983081208.db2.gz SSKXHXJCIWQHBR-JTQLQIEISA-N -1 0 346.349 3.967 20 0 EHADRM CCCOC1(c2noc(C34CCC(C(=O)[O-])(CC3)C4)n2)CCCCC1 ZINC001595941573 983094529 /nfs/dbraw/zinc/09/45/29/983094529.db2.gz FODCTZABVMUYDA-UHFFFAOYSA-N -1 0 348.443 3.942 20 0 EHADRM CCCOCc1ccccc1CNC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001595946129 983106451 /nfs/dbraw/zinc/10/64/51/983106451.db2.gz HEVNQTZSGIDPDN-UHFFFAOYSA-N -1 0 342.395 3.633 20 0 EHADRM CCCOc1cc(F)ccc1NC(=O)c1ccccc1CCC(=O)[O-] ZINC001595952008 983125848 /nfs/dbraw/zinc/12/58/48/983125848.db2.gz LHSSRBYRPWBSPE-UHFFFAOYSA-N -1 0 345.370 3.884 20 0 EHADRM CCCOc1cc(F)ccc1NC(=O)Nc1cc(C)c(C(=O)[O-])cn1 ZINC001595952790 983130333 /nfs/dbraw/zinc/13/03/33/983130333.db2.gz VRJLFTHLOCRHFH-UHFFFAOYSA-N -1 0 347.346 3.660 20 0 EHADRM CCCOc1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)c(C)c1 ZINC001595961585 983161416 /nfs/dbraw/zinc/16/14/16/983161416.db2.gz OAZKCEKTHDATQN-UHFFFAOYSA-N -1 0 331.412 3.757 20 0 EHADRM CCCOc1ccc(NCc2ccc(OCC(=O)[O-])cc2)cc1C ZINC001595966472 983173357 /nfs/dbraw/zinc/17/33/57/983173357.db2.gz LHKDCURVCVIKKI-UHFFFAOYSA-N -1 0 329.396 3.859 20 0 EHADRM CCCOc1ccc(N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1OC ZINC001595966643 983173465 /nfs/dbraw/zinc/17/34/65/983173465.db2.gz MZLKPNMNCOWQIU-QGZVFWFLSA-N -1 0 333.359 3.861 20 0 EHADRM CCC[C@H](NC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2)C(=O)[O-] ZINC001596020326 983283450 /nfs/dbraw/zinc/28/34/50/983283450.db2.gz XDJRVURCMSINEJ-STQMWFEESA-N -1 0 337.485 3.882 20 0 EHADRM CCCc1c(C(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)[nH]c(C)c1C(=O)[O-] ZINC001596032357 983309745 /nfs/dbraw/zinc/30/97/45/983309745.db2.gz UHDZIVUSTKYLOZ-BLVKFPJESA-N -1 0 332.444 3.626 20 0 EHADRM CCCc1c(C(=O)Nc2ccc3ccccc3n2)[nH]c(C)c1C(=O)[O-] ZINC001596045288 983331610 /nfs/dbraw/zinc/33/16/10/983331610.db2.gz IKORHSYQUGKNOQ-UHFFFAOYSA-N -1 0 337.379 3.774 20 0 EHADRM CCCc1c(N[C@H](C)[C@H]2C[C@@H]2C(=O)[O-])cnn1-c1ccc(C)cc1 ZINC001596050753 983349080 /nfs/dbraw/zinc/34/90/80/983349080.db2.gz LGMAFVAWSJBCAU-BMFZPTHFSA-N -1 0 327.428 3.654 20 0 EHADRM CCCc1c(NC[C@@H]2[C@H](C(=O)[O-])C2(F)F)cnn1-c1ccc(C)cc1 ZINC001596050759 983349454 /nfs/dbraw/zinc/34/94/54/983349454.db2.gz LIONQZROIWAMKI-CZUORRHYSA-N -1 0 349.381 3.511 20 0 EHADRM CCCc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)ccc1Cl ZINC001596055391 983358409 /nfs/dbraw/zinc/35/84/09/983358409.db2.gz QKIHWOUXQZJTFG-MRXNPFEDSA-N -1 0 331.799 3.848 20 0 EHADRM CCCc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])no1 ZINC001596056988 983362663 /nfs/dbraw/zinc/36/26/63/983362663.db2.gz RCWVAWJDQHQMOT-UHFFFAOYSA-N -1 0 342.273 3.596 20 0 EHADRM CCCc1ccc(C[S@@](=O)CCc2ccccc2C(=O)[O-])cc1 ZINC001596064789 983378419 /nfs/dbraw/zinc/37/84/19/983378419.db2.gz NIGYVMVGMZAOIU-QHCPKHFHSA-N -1 0 330.449 3.829 20 0 EHADRM CCCc1ccccc1OC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001596070643 983386587 /nfs/dbraw/zinc/38/65/87/983386587.db2.gz RENVHKVOIAIVKU-UHFFFAOYSA-N -1 0 337.375 3.898 20 0 EHADRM CCCc1nc(C)c(CN[C@H](C(=O)[O-])c2c(F)cccc2Cl)o1 ZINC001596082861 983402804 /nfs/dbraw/zinc/40/28/04/983402804.db2.gz BATCQGXMCMYWJO-HNNXBMFYSA-N -1 0 340.782 3.644 20 0 EHADRM CCCc1occc1C(=O)Oc1cc(/C=C\C(=O)[O-])ccc1OC ZINC001596102674 983428347 /nfs/dbraw/zinc/42/83/47/983428347.db2.gz NUKBBDCPQDRCFF-VURMDHGXSA-N -1 0 330.336 3.558 20 0 EHADRM CCCn1c2ccccc2c2nnc(SC/C(C)=C/C(=O)[O-])nc21 ZINC001596111193 983438209 /nfs/dbraw/zinc/43/82/09/983438209.db2.gz JPKWXZVYXIIMAM-PKNBQFBNSA-N -1 0 342.424 3.513 20 0 EHADRM CCCn1ccc2cc(NC(=O)N3CCC[C@@](C)(C(=O)[O-])C3)ccc21 ZINC001596115997 983446263 /nfs/dbraw/zinc/44/62/63/983446263.db2.gz OGMGOJMEPUCIGT-LJQANCHMSA-N -1 0 343.427 3.770 20 0 EHADRM CCN(CC(=O)Nc1cc(C(=O)[O-])ccc1C)c1ccc(C)cc1C ZINC001596208395 983597940 /nfs/dbraw/zinc/59/79/40/983597940.db2.gz UMGQRGZZANBQLB-UHFFFAOYSA-N -1 0 340.423 3.775 20 0 EHADRM CCN(CC(=O)[O-])C(=O)C(CC)(CC)c1ccc(Cl)c(Cl)c1 ZINC001596212326 983602927 /nfs/dbraw/zinc/60/29/27/983602927.db2.gz ISXQNFPXRYFYFC-UHFFFAOYSA-N -1 0 346.254 3.984 20 0 EHADRM CCN(CC(F)F)C(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001596236802 983632780 /nfs/dbraw/zinc/63/27/80/983632780.db2.gz CRCYIJGKNMWUGW-UHFFFAOYSA-N -1 0 333.334 3.779 20 0 EHADRM CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CC(C)(C)CC(=O)[O-] ZINC001596357903 983831050 /nfs/dbraw/zinc/83/10/50/983831050.db2.gz RWBQFEPREIQHMN-UHFFFAOYSA-N -1 0 345.361 3.945 20 0 EHADRM CCN(Cc1ccncc1)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001596375275 983884280 /nfs/dbraw/zinc/88/42/80/983884280.db2.gz SQMAZQVNGGGWFC-UHFFFAOYSA-N -1 0 349.390 3.987 20 0 EHADRM CCOC(=O)CCSCc1c(C(=O)[O-])sc2cccc(F)c21 ZINC001596613501 984576582 /nfs/dbraw/zinc/57/65/82/984576582.db2.gz FRUSBSMYTSRUBO-UHFFFAOYSA-N -1 0 342.413 3.925 20 0 EHADRM C/C(=C\C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])c1ccc(F)cc1 ZINC001588938297 984620907 /nfs/dbraw/zinc/62/09/07/984620907.db2.gz AMXFPYJOTHKPCY-HVJHFUJKSA-N -1 0 333.403 3.769 20 0 EHADRM C/C(=C\C(=O)NC[C@H](C(=O)[O-])C1CCCCC1)c1ccc(F)cc1 ZINC001588938960 984625685 /nfs/dbraw/zinc/62/56/85/984625685.db2.gz OJQKPBUXNZAXKD-HVJHFUJKSA-N -1 0 333.403 3.626 20 0 EHADRM C/C(=C/C(=O)N1CCc2cc(C(=O)[O-])ccc2C1)c1ccccc1C ZINC001588940070 984632830 /nfs/dbraw/zinc/63/28/30/984632830.db2.gz XKQGQRCSERBABR-PTNGSMBKSA-N -1 0 335.403 3.681 20 0 EHADRM C/C(=C/C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C)c1cccs1 ZINC001588943910 984642930 /nfs/dbraw/zinc/64/29/30/984642930.db2.gz IOJDMLQGYUBXQR-LUAWRHEFSA-N -1 0 330.409 3.554 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)Nc1ccc(-c2cccc(F)c2)c(F)c1 ZINC001599887721 984656392 /nfs/dbraw/zinc/65/63/92/984656392.db2.gz SNWWRCVDLWADNJ-SNVBAGLBSA-N -1 0 334.322 3.617 20 0 EHADRM CC(C)[C@@H](NC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2)C(=O)[O-] ZINC001588950179 984680258 /nfs/dbraw/zinc/68/02/58/984680258.db2.gz KNHJCKBWMPLWPS-IUODEOHRSA-N -1 0 337.485 3.738 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(C(=O)[O-])c2ccccc12)c1cccnc1 ZINC001599895006 984742280 /nfs/dbraw/zinc/74/22/80/984742280.db2.gz NUPYCIPEBRABFY-LBPRGKRZSA-N -1 0 335.363 3.816 20 0 EHADRM C[C@H](OC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(C(F)(F)F)nc1 ZINC001599904003 984898471 /nfs/dbraw/zinc/89/84/71/984898471.db2.gz XCGSUFDRKKEKTM-DCAQKATOSA-N -1 0 345.317 3.596 20 0 EHADRM C[C@H](OC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(C(F)(F)F)nc1 ZINC001599904005 984898867 /nfs/dbraw/zinc/89/88/67/984898867.db2.gz XCGSUFDRKKEKTM-HBNTYKKESA-N -1 0 345.317 3.596 20 0 EHADRM C[C@H](OC(=O)c1ccc(C(=O)[O-])[nH]1)c1ccc(C(F)(F)F)cc1 ZINC001599904399 984904233 /nfs/dbraw/zinc/90/42/33/984904233.db2.gz VSVLEBFLHHNMOT-QMMMGPOBSA-N -1 0 327.258 3.650 20 0 EHADRM C/C(=C/COC(=O)c1c(F)ccc(SCC2CC2)c1F)C(=O)[O-] ZINC001588989195 984906965 /nfs/dbraw/zinc/90/69/65/984906965.db2.gz KGICXWQVLDYHMF-TWGQIWQCSA-N -1 0 342.363 3.655 20 0 EHADRM C/C(=C/c1c(Cl)cccc1Cl)C(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001588994984 984921120 /nfs/dbraw/zinc/92/11/20/984921120.db2.gz CGRDPFWPXGFXPH-WQZSMZHOSA-N -1 0 342.222 3.766 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)N(C)c1ccc(OCC(=O)[O-])cc1 ZINC001588995343 984922839 /nfs/dbraw/zinc/92/28/39/984922839.db2.gz HKGJFJNMUZJYGZ-NTCAYCPXSA-N -1 0 339.391 3.525 20 0 EHADRM C/C(=C/c1c(Cl)cccc1Cl)C(=O)N[C@@H](CC1CC1)C(=O)[O-] ZINC001588995765 984928250 /nfs/dbraw/zinc/92/82/50/984928250.db2.gz RDJYCSWGNTXYIX-LEJCZOIISA-N -1 0 342.222 3.766 20 0 EHADRM CC(=Cc1ccc(C)cc1)C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001588998936 984935683 /nfs/dbraw/zinc/93/56/83/984935683.db2.gz NUECBKDMMFCFJX-XFXZXTDPSA-N -1 0 335.363 3.612 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)c2ccc(-c3ccccc3)o2)(C(=O)[O-])CC1 ZINC001599907248 984939854 /nfs/dbraw/zinc/93/98/54/984939854.db2.gz OXQDCMYGEKXFQM-HJGJAMNPSA-N -1 0 327.380 3.710 20 0 EHADRM C/C(=C\c1cccc(Cl)c1)C(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001589001910 984946162 /nfs/dbraw/zinc/94/61/62/984946162.db2.gz NHSJSXQXKJGYHO-UKTHLTGXSA-N -1 0 343.810 3.687 20 0 EHADRM C/C(=C\c1ccccc1Cl)C(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC001589003915 984958811 /nfs/dbraw/zinc/95/88/11/984958811.db2.gz QIRQKVGOROUSOY-CSKARUKUSA-N -1 0 331.755 3.786 20 0 EHADRM CCn1c(C)cc(C([O-])=C[S@@](=O)Cc2ccc(Cl)cc2)c1C ZINC000126900929 1015085452 /nfs/dbraw/zinc/08/54/52/1015085452.db2.gz PVLMIXZSPDFQKF-JOCHJYFZSA-N -1 0 337.872 3.910 20 0 EHADRM CC(=O)CC(C)(C)CC(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001589030048 985056942 /nfs/dbraw/zinc/05/69/42/985056942.db2.gz NZRVIVAMEVSARF-INIZCTEOSA-N -1 0 332.396 3.701 20 0 EHADRM C[C@H]1CN(C(=O)N[C@@H](CC2CCC2)c2ccccc2)CC[C@H]1C(=O)[O-] ZINC001599917546 985080281 /nfs/dbraw/zinc/08/02/81/985080281.db2.gz SPDQMRYHIGMWFO-QGTPRVQTSA-N -1 0 344.455 3.670 20 0 EHADRM CC(=O)CCC(C)(C)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001589035267 985081489 /nfs/dbraw/zinc/08/14/89/985081489.db2.gz PLERHJFCCRJOTM-UHFFFAOYSA-N -1 0 329.755 3.511 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc3c(c2)C=CCCC3)C[C@]1(C)C(=O)[O-] ZINC001599922530 985155401 /nfs/dbraw/zinc/15/54/01/985155401.db2.gz RVRVBALBLNEUNZ-DJJJIMSYSA-N -1 0 328.412 3.611 20 0 EHADRM CCO[C@H](C)c1nc(CS[C@H](C)c2nc(C(=O)[O-])co2)cs1 ZINC001596775819 985209573 /nfs/dbraw/zinc/20/95/73/985209573.db2.gz FWIIBUPBKCMFEV-RKDXNWHRSA-N -1 0 342.442 3.921 20 0 EHADRM CCOC1CC(CC(=O)Nc2c(C(=O)[O-])ccc3ccccc32)C1 ZINC001596803524 985316198 /nfs/dbraw/zinc/31/61/98/985316198.db2.gz WKTHFCWSOFYODL-UHFFFAOYSA-N -1 0 327.380 3.682 20 0 EHADRM C[C@]1(c2ccccc2)C[C@H]1C(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC001599938464 985425284 /nfs/dbraw/zinc/42/52/84/985425284.db2.gz IAYAFPRBSYCMBR-QFBILLFUSA-N -1 0 342.416 3.747 20 0 EHADRM Cc1[nH]c(C(=O)CN(c2cccc(F)c2)C(C)C)c(C)c1C(=O)[O-] ZINC001599944925 985509904 /nfs/dbraw/zinc/50/99/04/985509904.db2.gz ROZOCFCSEBOPJQ-UHFFFAOYSA-N -1 0 332.375 3.567 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cc(C(=O)[O-])ccc2F)[C@H]1c1ccccc1 ZINC001594479156 985511521 /nfs/dbraw/zinc/51/15/21/985511521.db2.gz UCUKIAXOVVSJNF-MEDUHNTESA-N -1 0 328.343 3.749 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)SCCc2ccccc2)c(C)c1C(=O)[O-] ZINC001599948741 985573259 /nfs/dbraw/zinc/57/32/59/985573259.db2.gz RQZINWUHVDSSSQ-ZDUSSCGKSA-N -1 0 331.437 3.877 20 0 EHADRM Cc1[nH]c(C(=O)N2C[C@@H](c3ccccc3)CC2(C)C)c(C)c1C(=O)[O-] ZINC001599950086 985592995 /nfs/dbraw/zinc/59/29/95/985592995.db2.gz DKDPPSUJMYBUGV-HNNXBMFYSA-N -1 0 340.423 3.738 20 0 EHADRM Cc1[nH]c(C(=O)N[C@H](c2ccccc2F)C(C)C)c(C)c1C(=O)[O-] ZINC001599952377 985630883 /nfs/dbraw/zinc/63/08/83/985630883.db2.gz JRMPBEWCFOEMAB-HNNXBMFYSA-N -1 0 332.375 3.596 20 0 EHADRM Cc1[nH]c(C(=O)NC[C@@H]2CCC[C@@H]2c2ccccc2)c(C)c1C(=O)[O-] ZINC001599953227 985645426 /nfs/dbraw/zinc/64/54/26/985645426.db2.gz QBKVTDMGWUOOBK-JKSUJKDBSA-N -1 0 340.423 3.643 20 0 EHADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN(c1ccccc1F)C1CCCC1 ZINC001599958720 985736651 /nfs/dbraw/zinc/73/66/51/985736651.db2.gz GGOOTGAKYGGJOX-UHFFFAOYSA-N -1 0 344.386 3.792 20 0 EHADRM Cc1[nH]c(CN2C[C@@H](c3cccc(Cl)c3)OC[C@@H]2C)cc1C(=O)[O-] ZINC001599961393 985788079 /nfs/dbraw/zinc/78/80/79/985788079.db2.gz DXZUEUWTWWXRNM-GTNSWQLSSA-N -1 0 348.830 3.637 20 0 EHADRM CCOC[C@@H]1CCCN(c2c(Cl)cc(Cl)cc2C(=O)[O-])C1 ZINC001596893046 985835792 /nfs/dbraw/zinc/83/57/92/985835792.db2.gz TXVJOESDTIXNKZ-SNVBAGLBSA-N -1 0 332.227 3.945 20 0 EHADRM CCOCCC1(CNc2ncc(C(=O)[O-])cc2C(F)(F)F)CCC1 ZINC001596905071 985885431 /nfs/dbraw/zinc/88/54/31/985885431.db2.gz QFASYJPJVNUGKF-UHFFFAOYSA-N -1 0 346.349 3.807 20 0 EHADRM CCOCCCCCC(=O)Nc1c(C)cc(Cl)cc1C(=O)[O-] ZINC001596907538 985890280 /nfs/dbraw/zinc/89/02/80/985890280.db2.gz LOYHUXMYQGESBC-UHFFFAOYSA-N -1 0 327.808 3.882 20 0 EHADRM Cc1[nH]c(S[C@H](C)c2nc(C(=O)[O-])co2)nc1-c1ccccc1 ZINC001599965872 985904362 /nfs/dbraw/zinc/90/43/62/985904362.db2.gz KGYJVFFPGIBYBR-SNVBAGLBSA-N -1 0 329.381 3.925 20 0 EHADRM CC(=O)c1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)cs1 ZINC001589267918 985949960 /nfs/dbraw/zinc/94/99/60/985949960.db2.gz JRCVVDLAZVKLKT-ZDUSSCGKSA-N -1 0 338.768 3.587 20 0 EHADRM CC(=O)c1cc(NC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)ccc1F ZINC001589270301 985960469 /nfs/dbraw/zinc/96/04/69/985960469.db2.gz JQKMHAZHCQJJLE-JTQLQIEISA-N -1 0 344.342 3.860 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2c(C)c(C(=O)[O-])ccc2Cl)c(F)c1 ZINC001589277714 985997937 /nfs/dbraw/zinc/99/79/37/985997937.db2.gz XMQUMZFTOROKBM-UHFFFAOYSA-N -1 0 349.745 3.941 20 0 EHADRM CC(=O)c1ccc(CN2CCC[C@H]2c2nc(C(=O)[O-])c(C)s2)cc1 ZINC001589283183 986008381 /nfs/dbraw/zinc/00/83/81/986008381.db2.gz FDJKGIXVQFPNGC-HNNXBMFYSA-N -1 0 344.436 3.689 20 0 EHADRM CC(=O)c1ccc(NC(=S)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC001589290812 986029241 /nfs/dbraw/zinc/02/92/41/986029241.db2.gz ZXQTVMPEYLBBLA-UHFFFAOYSA-N -1 0 328.393 3.705 20 0 EHADRM CCOCc1nc(C)c(C(=O)Nc2ccc(C)c(C)c2C(=O)[O-])s1 ZINC001596952903 986126424 /nfs/dbraw/zinc/12/64/24/986126424.db2.gz ZQRPPBIIKSDBLX-UHFFFAOYSA-N -1 0 348.424 3.555 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001599979075 986136355 /nfs/dbraw/zinc/13/63/55/986136355.db2.gz SKVXOUFRCGSOGZ-QMMMGPOBSA-N -1 0 348.355 3.526 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001599983998 986204787 /nfs/dbraw/zinc/20/47/87/986204787.db2.gz MWRDDTDOBKACGV-UHFFFAOYSA-N -1 0 344.754 3.669 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)[C@H]3C[C@H]3C3CCCC3)ccc2n1C ZINC001599985679 986224527 /nfs/dbraw/zinc/22/45/27/986224527.db2.gz JYLDOLRMANJBKX-GJZGRUSLSA-N -1 0 341.407 3.917 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)[C@@H]3C[C@H]3C3CCCC3)ccc2n1C ZINC001599985681 986224889 /nfs/dbraw/zinc/22/48/89/986224889.db2.gz JYLDOLRMANJBKX-LSDHHAIUSA-N -1 0 341.407 3.917 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)[C@@H]3CC[C@@H]4C[C@@H]4C3)ccc2n1C ZINC001599986306 986229980 /nfs/dbraw/zinc/22/99/80/986229980.db2.gz VTOSUQCWYUTMBA-JHJVBQTASA-N -1 0 327.380 3.527 20 0 EHADRM C[C@H](C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])c1ccc2ccccc2c1 ZINC001589345600 986279638 /nfs/dbraw/zinc/27/96/38/986279638.db2.gz CLDGYDKIQSYQLU-ZQEOTTOMSA-N -1 0 337.419 3.655 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1CCc2ccccc2C1 ZINC001597009690 986344963 /nfs/dbraw/zinc/34/49/63/986344963.db2.gz PJODSXJLZMMNMN-OAHLLOKOSA-N -1 0 339.391 3.527 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)c1cccc(C)c1 ZINC001597009957 986346632 /nfs/dbraw/zinc/34/66/32/986346632.db2.gz SLKFEBHYBHMGPT-ZDUSSCGKSA-N -1 0 327.380 3.834 20 0 EHADRM C[C@H](C(=O)N1CCCc2ccc(C(=O)[O-])cc21)c1cccc(F)c1 ZINC001589358740 986351122 /nfs/dbraw/zinc/35/11/22/986351122.db2.gz FGSIGBUETHSVQJ-LBPRGKRZSA-N -1 0 327.355 3.607 20 0 EHADRM C[C@@H](C(=O)N1CCCCc2cc(C(=O)[O-])ccc21)c1ccccc1F ZINC001589359640 986359992 /nfs/dbraw/zinc/35/99/92/986359992.db2.gz WMWZVJALHPASPX-CYBMUJFWSA-N -1 0 341.382 3.997 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@H](C)c1ccsc1 ZINC001597017100 986391379 /nfs/dbraw/zinc/39/13/79/986391379.db2.gz SYKWXINCEPXTDD-SNVBAGLBSA-N -1 0 334.397 3.728 20 0 EHADRM C[C@@H](C(=O)N1CCc2ccc(C(=O)[O-])cc21)c1cc2ccccc2o1 ZINC001589368061 986394001 /nfs/dbraw/zinc/39/40/01/986394001.db2.gz AHMWPTMIOLQXIJ-GFCCVEGCSA-N -1 0 335.359 3.824 20 0 EHADRM C[C@H](C(=O)N[C@H](C(=O)[O-])C1CCCCC1)c1cc2ccccc2o1 ZINC001589373715 986423936 /nfs/dbraw/zinc/42/39/36/986423936.db2.gz FMSOYWUKRMVHSN-SJCJKPOMSA-N -1 0 329.396 3.686 20 0 EHADRM CCOc1cc(CN2CCCCc3cc(C(=O)[O-])ccc32)ccc1O ZINC001597032958 986459187 /nfs/dbraw/zinc/45/91/87/986459187.db2.gz WNCCBBURPZAQTI-UHFFFAOYSA-N -1 0 341.407 3.832 20 0 EHADRM C[C@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1)C1CCC1 ZINC001589381139 986463321 /nfs/dbraw/zinc/46/33/21/986463321.db2.gz MQXYQZWZFRXDBM-IINYFYTJSA-N -1 0 343.345 3.774 20 0 EHADRM C[C@H](C(=O)N[C@](C)(CC(=O)[O-])C1CC1)c1ccccc1C(F)(F)F ZINC001589382836 986469229 /nfs/dbraw/zinc/46/92/29/986469229.db2.gz XLUQSMYXIUJYTM-MGPLVRAMSA-N -1 0 343.345 3.569 20 0 EHADRM CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2C(=O)[O-])cc1OC ZINC001597062234 986555030 /nfs/dbraw/zinc/55/50/30/986555030.db2.gz TZRBKEFTXKQKBM-UHFFFAOYSA-N -1 0 343.379 3.661 20 0 EHADRM C[C@@H](C(=O)NC[C@H](CC1CCCC1)C(=O)[O-])c1ccc(Cl)s1 ZINC001589404766 986584710 /nfs/dbraw/zinc/58/47/10/986584710.db2.gz SHXKUDZBWGHWSU-PWSUYJOCSA-N -1 0 343.876 3.902 20 0 EHADRM C[C@H]1CSC(S[C@@H](C(=O)[O-])c2ccccc2Br)=N1 ZINC001594609592 986596577 /nfs/dbraw/zinc/59/65/77/986596577.db2.gz HZXPWGJAGQQMFF-OIBJUYFYSA-N -1 0 346.271 3.799 20 0 EHADRM CCOc1ccc(C[C@@H](C)C(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC001597085563 986655175 /nfs/dbraw/zinc/65/51/75/986655175.db2.gz ZYTWGBBWAJWSPW-LLVKDONJSA-N -1 0 333.409 3.662 20 0 EHADRM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21)c1ccncc1 ZINC001589422638 986667293 /nfs/dbraw/zinc/66/72/93/986667293.db2.gz MFNCLJNCLYLRHD-AUUYWEPGSA-N -1 0 348.402 3.671 20 0 EHADRM C[C@H](C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])c1ccccc1C(F)(F)F ZINC001589423902 986683884 /nfs/dbraw/zinc/68/38/84/986683884.db2.gz NYXPFIMOKFCLLA-COPLHBTASA-N -1 0 343.345 3.569 20 0 EHADRM C[C@H](C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21)c1ccccn1 ZINC001589423870 986684188 /nfs/dbraw/zinc/68/41/88/986684188.db2.gz WRKBWPLKSRORGD-IFXJQAMLSA-N -1 0 348.402 3.671 20 0 EHADRM C[C@H](C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)c1c(F)cccc1F ZINC001589430312 986717370 /nfs/dbraw/zinc/71/73/70/986717370.db2.gz UPWOOBODQUWSEB-VIFPVBQESA-N -1 0 344.317 3.887 20 0 EHADRM C[C@H](C(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1ccc(F)cc1F ZINC001589430481 986718795 /nfs/dbraw/zinc/71/87/95/986718795.db2.gz SUMPSSGOGDYMNK-ZETCQYMHSA-N -1 0 341.260 3.683 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000263535482 1125496897 /nfs/dbraw/zinc/49/68/97/1125496897.db2.gz YYYAZHPKYCFAJN-HOCLYGCPSA-N -1 0 339.391 3.804 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1cn(C)c2ccccc12 ZINC001589431984 986737198 /nfs/dbraw/zinc/73/71/98/986737198.db2.gz VISSHCGXWNYGLM-LLVKDONJSA-N -1 0 340.354 3.758 20 0 EHADRM C[C@@H](C(=O)Nc1ccc2c(c1)[nH]cc2C(=O)[O-])c1c(F)cccc1F ZINC001589437634 986757962 /nfs/dbraw/zinc/75/79/62/986757962.db2.gz FVNRNXAOMNSBSK-SECBINFHSA-N -1 0 344.317 3.887 20 0 EHADRM C[C@@H](C(=O)Nc1ncc(C(=O)[O-])c2ccccc12)c1ccsc1 ZINC001589448089 986817799 /nfs/dbraw/zinc/81/77/99/986817799.db2.gz AHDJDYKNRRQICW-SNVBAGLBSA-N -1 0 326.377 3.737 20 0 EHADRM CCOc1ccc(Oc2ccccc2NC(=O)[C@H](CC)C(=O)[O-])cc1 ZINC001597134399 986865453 /nfs/dbraw/zinc/86/54/53/986865453.db2.gz QMXYPHPHHQVTAY-HNNXBMFYSA-N -1 0 343.379 3.927 20 0 EHADRM CCOc1cccc(CCC(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001597153506 986938425 /nfs/dbraw/zinc/93/84/25/986938425.db2.gz KPVAGEYCEWBNJJ-UHFFFAOYSA-N -1 0 348.782 3.975 20 0 EHADRM C[C@H]1SCC[C@H]1NC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001594664591 986953310 /nfs/dbraw/zinc/95/33/10/986953310.db2.gz UQSCHPAJPMNNRY-LDYMZIIASA-N -1 0 336.438 3.615 20 0 EHADRM CCOc1cccc(CN[C@@H](C(=O)[O-])c2ccc3ccccc3c2)n1 ZINC001597155877 986955067 /nfs/dbraw/zinc/95/50/67/986955067.db2.gz UTMSPGAVMWYXBR-LJQANCHMSA-N -1 0 336.391 3.549 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)C[C@H](c1ccccc1)C(F)(F)F)C1CCC1 ZINC001589471000 986958968 /nfs/dbraw/zinc/95/89/68/986958968.db2.gz FMBGVWBYLSCXSE-SMDDNHRTSA-N -1 0 343.345 3.577 20 0 EHADRM C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1c1ccc(C(=O)[O-])nn1 ZINC001594665410 986959136 /nfs/dbraw/zinc/95/91/36/986959136.db2.gz FIYCJCRWKKACPJ-MRVPVSSYSA-N -1 0 338.194 3.605 20 0 EHADRM C[C@H]1c2cc(F)cc(F)c2CCN1c1nc(Cl)c(C(=O)[O-])s1 ZINC001594666859 986967901 /nfs/dbraw/zinc/96/79/01/986967901.db2.gz AKEFUFRRWQRUIV-LURJTMIESA-N -1 0 344.770 3.897 20 0 EHADRM C[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001594671108 986981708 /nfs/dbraw/zinc/98/17/08/986981708.db2.gz JEVRYCOQZFSTOK-JTQLQIEISA-N -1 0 348.399 3.666 20 0 EHADRM CCOc1ccccc1C(=O)Nc1c(C)c(C(=O)[O-])ccc1Cl ZINC001597167686 986991961 /nfs/dbraw/zinc/99/19/61/986991961.db2.gz AFKVUBUMWNNMDO-UHFFFAOYSA-N -1 0 333.771 3.998 20 0 EHADRM CCOc1ccccc1-c1cccc(C(=O)O[C@H](C(=O)[O-])C2CC2)c1 ZINC001597168097 986995343 /nfs/dbraw/zinc/99/53/43/986995343.db2.gz XYPXLNVNVNLNBG-SFHVURJKSA-N -1 0 340.375 3.772 20 0 EHADRM CC/C(=C\C(=O)OCc1nc(C(=O)[O-])cs1)c1ccc(C)cc1 ZINC001594693906 987104467 /nfs/dbraw/zinc/10/44/67/987104467.db2.gz GUUAYNOJJBOHJW-XYOKQWHBSA-N -1 0 331.393 3.687 20 0 EHADRM CCC(=O)N(C)c1ccc(N[C@H](C(=O)[O-])c2ccccc2Cl)cc1 ZINC001594696571 987122260 /nfs/dbraw/zinc/12/22/60/987122260.db2.gz WHGSSFSBHBXASM-KRWDZBQOSA-N -1 0 346.814 3.951 20 0 EHADRM CC(C)[C@@H]1N(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)CC12CCC2 ZINC001589508665 987129778 /nfs/dbraw/zinc/12/97/78/987129778.db2.gz LJJLOLMCWDTGDQ-BBRMVZONSA-N -1 0 330.428 3.917 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NCCc2cc(F)ccc2F)cc1 ZINC001589513124 987155368 /nfs/dbraw/zinc/15/53/68/987155368.db2.gz NYFLPEFVBJBTJL-LLVKDONJSA-N -1 0 348.349 3.517 20 0 EHADRM CCC(=O)Nc1ccc(C)c(NCc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001594710569 987170850 /nfs/dbraw/zinc/17/08/50/987170850.db2.gz PHUGMOVYCMEUEI-UHFFFAOYSA-N -1 0 330.359 3.793 20 0 EHADRM CCC(=O)Nc1ccc(C)c(NCc2ccc(C(=O)[O-])cc2F)c1 ZINC001594710827 987172320 /nfs/dbraw/zinc/17/23/20/987172320.db2.gz VSKPKMAAFSTFHI-UHFFFAOYSA-N -1 0 330.359 3.793 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cc(F)cc(Cl)c2N)cc1 ZINC001589522065 987173239 /nfs/dbraw/zinc/17/32/39/987173239.db2.gz ZAAZXUWZDUTCPY-QMMMGPOBSA-N -1 0 336.750 3.502 20 0 EHADRM CCC(=O)c1cc(C(=O)OCc2ccc(C(=O)[O-])c(F)c2)ccc1F ZINC001594718861 987200339 /nfs/dbraw/zinc/20/03/39/987200339.db2.gz YQFTYYIWKMXTPO-UHFFFAOYSA-N -1 0 348.301 3.613 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cc3c(ccnc3Cl)o2)c1 ZINC001589531445 987202939 /nfs/dbraw/zinc/20/29/39/987202939.db2.gz GMNXVCMKMOZNDT-VIFPVBQESA-N -1 0 344.754 3.922 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001589531551 987204257 /nfs/dbraw/zinc/20/42/57/987204257.db2.gz HBWSDWKHOKYEOV-HEHGZKQESA-N -1 0 348.443 3.590 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cc(C(F)(F)F)ccn2)c1 ZINC001589532178 987211303 /nfs/dbraw/zinc/21/13/03/987211303.db2.gz NOZSBOQVKGQYNO-VIFPVBQESA-N -1 0 338.285 3.541 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC2CCN(C(=O)CC(C)(C)C)CC2)c1 ZINC001589532954 987221152 /nfs/dbraw/zinc/22/11/52/987221152.db2.gz WSTMDRCGIZLMKI-CQSZACIVSA-N -1 0 346.471 3.714 20 0 EHADRM CCS[C@H]1CCC[C@@H]1NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001597258483 987269242 /nfs/dbraw/zinc/26/92/42/987269242.db2.gz NNQUQGYGKRXTQK-FZKCQIBNSA-N -1 0 348.468 3.670 20 0 EHADRM C[C@@H](C(=O)OCc1oncc1C(=O)[O-])c1c(Cl)cccc1Cl ZINC001589547981 987273285 /nfs/dbraw/zinc/27/32/85/987273285.db2.gz WASFXZJPRUJHSX-SSDOTTSWSA-N -1 0 344.150 3.527 20 0 EHADRM CCSCC[C@@H](C)NC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001597258992 987275885 /nfs/dbraw/zinc/27/58/85/987275885.db2.gz BVIHANDEGYYLFI-QWHCGFSZSA-N -1 0 338.473 3.603 20 0 EHADRM CCSCc1ccc(NC(=O)NC[C@H](CC(=O)[O-])C2CC2)cc1 ZINC001597264900 987292931 /nfs/dbraw/zinc/29/29/31/987292931.db2.gz CDJKLXKXQVKZJZ-AWEZNQCLSA-N -1 0 336.457 3.562 20 0 EHADRM CCSCc1ccccc1C(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC001597265409 987296637 /nfs/dbraw/zinc/29/66/37/987296637.db2.gz UGJBRNQWAIQIFY-CRAIPNDOSA-N -1 0 335.469 3.703 20 0 EHADRM CCSc1cccnc1-c1noc(C23CCC(C(=O)[O-])(CC2)C3)n1 ZINC001597279013 987339377 /nfs/dbraw/zinc/33/93/77/987339377.db2.gz BUVPTJAJHHXMGA-UHFFFAOYSA-N -1 0 345.424 3.530 20 0 EHADRM CCSc1ccccc1CCNC(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001597280131 987350348 /nfs/dbraw/zinc/35/03/48/987350348.db2.gz ZWLQLDMOOJXWQF-UHFFFAOYSA-N -1 0 347.411 3.608 20 0 EHADRM CC(C)(C(=O)Nc1ccc2c(c1)[nH]cc2C(=O)[O-])c1cccc(F)c1 ZINC001589576487 987355565 /nfs/dbraw/zinc/35/55/65/987355565.db2.gz OTMLHPNEKRMGQP-UHFFFAOYSA-N -1 0 340.354 3.922 20 0 EHADRM CC(C)(C(=O)Nc1cccc(C(=O)[O-])c1N)c1ccc(Cl)cc1 ZINC001589577015 987357151 /nfs/dbraw/zinc/35/71/51/987357151.db2.gz ZVLFHQWJLOVPHY-UHFFFAOYSA-N -1 0 332.787 3.537 20 0 EHADRM CC(C)(C(=O)Nc1ncc(C(=O)[O-])s1)c1cccc(Cl)c1F ZINC001589582670 987364424 /nfs/dbraw/zinc/36/44/24/987364424.db2.gz IXMSUMJAMAWOBX-UHFFFAOYSA-N -1 0 342.779 3.550 20 0 EHADRM CC(C)(C(=O)[O-])C(=O)CSc1ncc(-c2ccc(Cl)cc2)o1 ZINC001589588809 987386876 /nfs/dbraw/zinc/38/68/76/987386876.db2.gz KJPROVDUMLAXMM-UHFFFAOYSA-N -1 0 339.800 3.767 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)N1CCC[C@@H](C2CC2)C1)c1ccccc1 ZINC001589594666 987411501 /nfs/dbraw/zinc/41/15/01/987411501.db2.gz QOVDAVWNKHETQO-IAGOWNOFSA-N -1 0 344.455 3.670 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1)C(=O)[O-] ZINC001597320145 987447640 /nfs/dbraw/zinc/44/76/40/987447640.db2.gz FGPBYAYFFPVJON-ZBEGNZNMSA-N -1 0 330.428 3.695 20 0 EHADRM CC[C@H](NC(=O)NCc1ccc(C(=O)[O-])s1)c1ccc(F)cc1 ZINC001597335871 987472766 /nfs/dbraw/zinc/47/27/66/987472766.db2.gz FYFHNHCXULTCRT-ZDUSSCGKSA-N -1 0 336.388 3.536 20 0 EHADRM CC[C@H](NC(=O)Nc1cccc(C(=O)[O-])c1OC(C)C)C(F)(F)F ZINC001597336704 987475473 /nfs/dbraw/zinc/47/54/73/987475473.db2.gz SXHGPEUOGCDBQZ-NSHDSACASA-N -1 0 348.321 3.634 20 0 EHADRM CC(C)(C(=O)[O-])N(Cc1ccccc1)C(=O)C[C@@H]1CCCC1(F)F ZINC001589616579 987481879 /nfs/dbraw/zinc/48/18/79/987481879.db2.gz INMODXMWDSJPOH-AWEZNQCLSA-N -1 0 339.382 3.704 20 0 EHADRM CCc1[nH]c(C(=O)N(C)Cc2ccc(Cl)s2)c(C)c1C(=O)[O-] ZINC001597354515 987495953 /nfs/dbraw/zinc/49/59/53/987495953.db2.gz GUJUVXUSZQSDOM-UHFFFAOYSA-N -1 0 340.832 3.571 20 0 EHADRM CCc1[nH]c(C(=O)N2CCC(CCC(C)C)CC2)c(C)c1C(=O)[O-] ZINC001597358264 987512877 /nfs/dbraw/zinc/51/28/77/987512877.db2.gz XOOZZNGVUMMYRT-UHFFFAOYSA-N -1 0 334.460 3.872 20 0 EHADRM CCc1[nH]c(C(=O)N2c3ccccc3C(C)(C)[C@H]2C)c(C)c1C(=O)[O-] ZINC001597361579 987521124 /nfs/dbraw/zinc/52/11/24/987521124.db2.gz JQLOHGFHPHUFQF-GFCCVEGCSA-N -1 0 340.423 3.910 20 0 EHADRM CCc1[nH]c(C(=O)N[C@@H](C)c2cccc(C3CC3)c2)c(C)c1C(=O)[O-] ZINC001597364544 987534840 /nfs/dbraw/zinc/53/48/40/987534840.db2.gz VIMYSBBPVPNAMR-LBPRGKRZSA-N -1 0 340.423 3.952 20 0 EHADRM CCc1[nH]c(C(=O)N[C@H](C)c2cccc(C3CC3)c2)c(C)c1C(=O)[O-] ZINC001597364542 987534944 /nfs/dbraw/zinc/53/49/44/987534944.db2.gz VIMYSBBPVPNAMR-GFCCVEGCSA-N -1 0 340.423 3.952 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@@H](O)C2CCCCCCC2)cc1 ZINC001589633781 987546841 /nfs/dbraw/zinc/54/68/41/987546841.db2.gz CFFUGGLFIVJUNQ-KRWDZBQOSA-N -1 0 347.455 3.709 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NCCC2CC(F)(F)C2)cc1 ZINC001589637448 987555833 /nfs/dbraw/zinc/55/58/33/987555833.db2.gz AYEHTQZBMGWXFK-UHFFFAOYSA-N -1 0 340.370 3.606 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N2CCC[C@H](CCF)C2)cc1 ZINC001589636552 987555855 /nfs/dbraw/zinc/55/58/55/987555855.db2.gz YTAOVTMRONIIIY-CYBMUJFWSA-N -1 0 336.407 3.652 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NCCC[C@@H]2C=CCC2)cc1 ZINC001589637796 987557200 /nfs/dbraw/zinc/55/72/00/987557200.db2.gz MDOZVYBFVQVHFV-CQSZACIVSA-N -1 0 330.428 3.917 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NCc2ccc(-n3cccn3)cc2)cc1 ZINC001589641139 987562829 /nfs/dbraw/zinc/56/28/29/987562829.db2.gz LETPYMWCECBMRS-UHFFFAOYSA-N -1 0 335.407 3.847 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(NC(=O)CCC[Si](C)(C)C)n1 ZINC001589648928 987584016 /nfs/dbraw/zinc/58/40/16/987584016.db2.gz GEFKIEZTVXWYEV-UHFFFAOYSA-N -1 0 328.510 3.562 20 0 EHADRM CCc1[nH]c(C(=O)N[C@H](C)c2ccc(SC)cc2)c(C)c1C(=O)[O-] ZINC001597385758 987598223 /nfs/dbraw/zinc/59/82/23/987598223.db2.gz PQVLMDLNERDFKQ-LLVKDONJSA-N -1 0 346.452 3.797 20 0 EHADRM CCc1[nH]c(CN2CCCSc3ccc(F)cc32)cc1C(=O)[O-] ZINC001597386007 987600275 /nfs/dbraw/zinc/60/02/75/987600275.db2.gz APZQUDWBCZIBIQ-UHFFFAOYSA-N -1 0 334.416 3.917 20 0 EHADRM CCc1[nH]c(C(=O)N[C@H](C)c2ccccc2Cl)c(C)c1C(=O)[O-] ZINC001597386668 987606202 /nfs/dbraw/zinc/60/62/02/987606202.db2.gz ZTUMCEBNBMBDJE-SNVBAGLBSA-N -1 0 334.803 3.728 20 0 EHADRM CCc1c(C(=O)Nc2ccc(C)c(C)c2C(=O)[O-])[nH]c(C)c1C(C)=O ZINC001597411427 987699809 /nfs/dbraw/zinc/69/98/09/987699809.db2.gz AENOMQQBUSXQMY-UHFFFAOYSA-N -1 0 342.395 3.655 20 0 EHADRM CCc1c(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)cnn1C(C)(C)C ZINC001597411821 987703350 /nfs/dbraw/zinc/70/33/50/987703350.db2.gz SZKUCVLGJMKYNQ-UHFFFAOYSA-N -1 0 349.818 3.804 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)Nc1ccccc1CC(F)(F)F ZINC001589702440 987799214 /nfs/dbraw/zinc/79/92/14/987799214.db2.gz HBGCDBKWFKHMEV-GFCCVEGCSA-N -1 0 346.349 3.802 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)[C@H](OC)C2CCCCC2)s1 ZINC001597441284 987803977 /nfs/dbraw/zinc/80/39/77/987803977.db2.gz UUKRZRCQCVMCQS-CYBMUJFWSA-N -1 0 325.430 3.543 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)Cc1coc2cc(Cl)ccc12 ZINC001589703497 987806849 /nfs/dbraw/zinc/80/68/49/987806849.db2.gz ZHNVBDXRAKCMFV-CQSZACIVSA-N -1 0 337.803 3.634 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)c1cc2ccnc(Cl)c2s1 ZINC001589704179 987808982 /nfs/dbraw/zinc/80/89/82/987808982.db2.gz CUOQTZBMNRCWCK-SNVBAGLBSA-N -1 0 340.832 3.569 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2cc(F)c(C)cc2F)s1 ZINC001597443623 987809716 /nfs/dbraw/zinc/80/97/16/987809716.db2.gz OYFTZKBQTJMECQ-UHFFFAOYSA-N -1 0 325.336 3.848 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)N2CC(c3ccc(F)cc3)C2)s1 ZINC001597444092 987812532 /nfs/dbraw/zinc/81/25/32/987812532.db2.gz YHVKBZLZXCNLIX-UHFFFAOYSA-N -1 0 348.399 3.779 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2ccc3cccnc3c2)s1 ZINC001597445998 987820443 /nfs/dbraw/zinc/82/04/43/987820443.db2.gz VERLESSHCRQOJM-UHFFFAOYSA-N -1 0 326.377 3.809 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1C[C@@H](C)OC2(CCCC2)C1 ZINC001597453211 987854564 /nfs/dbraw/zinc/85/45/64/987854564.db2.gz MXOIVWDFLIEERL-CYBMUJFWSA-N -1 0 346.427 3.513 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@H]1CCCO[C@@H]1CC(C)C ZINC001597456886 987866391 /nfs/dbraw/zinc/86/63/91/987866391.db2.gz DAJNACAMIAUBCX-DLBZAZTESA-N -1 0 348.443 3.662 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1C[C@H]1c1ccc(C)cc1 ZINC001597465602 987906663 /nfs/dbraw/zinc/90/66/63/987906663.db2.gz XSGVSAFEQCQVOE-FUHWJXTLSA-N -1 0 338.407 3.933 20 0 EHADRM CC(C)(C)C1CCC(CC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)CC1 ZINC001589726797 987914512 /nfs/dbraw/zinc/91/45/12/987914512.db2.gz QAIPOJRSAAZKEU-QMOQVAMLSA-N -1 0 335.488 3.942 20 0 EHADRM CC(C)(C)[C@H]1CCC[C@H]1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001589727766 987924797 /nfs/dbraw/zinc/92/47/97/987924797.db2.gz BCTKQVBILJOQLM-GXSJLCMTSA-N -1 0 340.370 3.999 20 0 EHADRM CC(C)(C)[C@H]1CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC001589733299 987975103 /nfs/dbraw/zinc/97/51/03/987975103.db2.gz ZECLIOJRHWPJGZ-CWRNSKLLSA-N -1 0 330.428 3.775 20 0 EHADRM CS[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2C)C1 ZINC001599789138 987976998 /nfs/dbraw/zinc/97/69/98/987976998.db2.gz QQXWJNLUWSSEPX-GHMZBOCLSA-N -1 0 340.420 3.628 20 0 EHADRM CCc1ccc(-c2nc(S[C@@H](C(=O)[O-])c3ccccc3)n[nH]2)cc1 ZINC001597492352 988027818 /nfs/dbraw/zinc/02/78/18/988027818.db2.gz SXJIREVAQXMVPV-OAHLLOKOSA-N -1 0 339.420 3.952 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)NC1CC(CC(=O)[O-])C1)c1ccccc1 ZINC001589745437 988038034 /nfs/dbraw/zinc/03/80/34/988038034.db2.gz JHLNEENBGTUARA-BCLQGDPASA-N -1 0 332.444 3.716 20 0 EHADRM CCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1CC ZINC001597500422 988055670 /nfs/dbraw/zinc/05/56/70/988055670.db2.gz MATGZKKQHFSZIM-OAHLLOKOSA-N -1 0 331.437 3.819 20 0 EHADRM CCc1ccc(C(=O)[O-])c(OC(=O)/C=C/SCc2ccco2)c1 ZINC001597506547 988075969 /nfs/dbraw/zinc/07/59/69/988075969.db2.gz FXHCQIABEWQVII-VQHVLOKHSA-N -1 0 332.377 3.893 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)c1ccc(Cn2cccc2)cc1)C(=O)[O-] ZINC001589761504 988087925 /nfs/dbraw/zinc/08/79/25/988087925.db2.gz AMVPLGFZBGSLQJ-MRXNPFEDSA-N -1 0 329.396 3.583 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC001597511527 988091009 /nfs/dbraw/zinc/09/10/09/988091009.db2.gz BAOVJGNMWFNCKM-ZNOIYHFQSA-N -1 0 337.419 3.782 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)N(CC(=O)[O-])C2CCCCC2)cc1 ZINC001597511581 988091378 /nfs/dbraw/zinc/09/13/78/988091378.db2.gz FAWCBEWCMQETJI-HNNXBMFYSA-N -1 0 331.456 3.989 20 0 EHADRM CCc1ccc([C@H](C)C(=O)Oc2ccc(N(C)C)c(C(=O)[O-])c2)cc1 ZINC001597511969 988094353 /nfs/dbraw/zinc/09/43/53/988094353.db2.gz MKGOIHSWBSOMBG-ZDUSSCGKSA-N -1 0 341.407 3.722 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)N(CC)c2ncc(C(=O)[O-])s2)cc1 ZINC001597511991 988095965 /nfs/dbraw/zinc/09/59/65/988095965.db2.gz NQAHPLSMLUYHFI-LBPRGKRZSA-N -1 0 346.452 3.950 20 0 EHADRM CCc1ccc([C@@H](C)NC(=O)CSc2ccc(C(=O)[O-])cc2)cc1 ZINC001597513423 988110520 /nfs/dbraw/zinc/11/05/20/988110520.db2.gz UNCQNKURBODSOP-CYBMUJFWSA-N -1 0 343.448 3.917 20 0 EHADRM CC(C)(C)CCCCC(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001589771883 988126558 /nfs/dbraw/zinc/12/65/58/988126558.db2.gz MRYYCFFTBWLDQT-UHFFFAOYSA-N -1 0 331.416 3.666 20 0 EHADRM CCc1ccc([C@H]2CCCN(C(=O)c3oc(C(=O)[O-])cc3C)C2)cc1 ZINC001597517014 988131604 /nfs/dbraw/zinc/13/16/04/988131604.db2.gz JQUSDIDWBZATIG-INIZCTEOSA-N -1 0 341.407 3.868 20 0 EHADRM CSCc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCCC(C)(C)C2)cc1 ZINC001599802265 988196736 /nfs/dbraw/zinc/19/67/36/988196736.db2.gz JBMIKNGMINESLE-SFHVURJKSA-N -1 0 335.469 3.703 20 0 EHADRM CSCc1cccc(NC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)c1 ZINC001599803037 988209224 /nfs/dbraw/zinc/20/92/24/988209224.db2.gz GGPBBYOWKCNECV-RDTXWAMCSA-N -1 0 348.468 3.658 20 0 EHADRM CCc1ccc(NC(=O)[C@@H](C)c2cccc(OC)c2)c(C(=O)[O-])c1 ZINC001597542985 988235680 /nfs/dbraw/zinc/23/56/80/988235680.db2.gz NYPGHNCFPJVRKR-LBPRGKRZSA-N -1 0 327.380 3.698 20 0 EHADRM CSc1c(F)cccc1C(=O)N(CC(C)C)C(C)(C)C(=O)[O-] ZINC001599806387 988262621 /nfs/dbraw/zinc/26/26/21/988262621.db2.gz TYGKNPJFAFPBPZ-UHFFFAOYSA-N -1 0 327.421 3.509 20 0 EHADRM CSc1cc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)ccc1F ZINC001599807298 988276223 /nfs/dbraw/zinc/27/62/23/988276223.db2.gz CABVHSQACVOIHU-ZDUSSCGKSA-N -1 0 345.395 3.766 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC001599808475 988294260 /nfs/dbraw/zinc/29/42/60/988294260.db2.gz HJEJCNBWVAFUCE-SNVBAGLBSA-N -1 0 344.864 3.930 20 0 EHADRM CCc1ccc2occ(C(=O)N[C@]3(C)CCCC[C@H]3C(=O)[O-])c2c1 ZINC001597570481 988345518 /nfs/dbraw/zinc/34/55/18/988345518.db2.gz LICHJERUDMWPER-HNAYVOBHSA-N -1 0 329.396 3.759 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cc(C)n([C@H](C)C2CC2)n1 ZINC001597571361 988350377 /nfs/dbraw/zinc/35/03/77/988350377.db2.gz CQUAUNWGZXCOAT-GFCCVEGCSA-N -1 0 341.411 3.675 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)Cc1cc(Cl)ccc1OC ZINC001597571624 988351964 /nfs/dbraw/zinc/35/19/64/988351964.db2.gz DXTWZJVQRVOYIH-UHFFFAOYSA-N -1 0 347.798 3.790 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)[C@H]1SCCc2ccccc21 ZINC001597573521 988356637 /nfs/dbraw/zinc/35/66/37/988356637.db2.gz SFGOVCROLMWLJW-KRWDZBQOSA-N -1 0 341.432 3.916 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)[C@@H]1SCCc2ccccc21 ZINC001597573524 988357106 /nfs/dbraw/zinc/35/71/06/988357106.db2.gz SFGOVCROLMWLJW-QGZVFWFLSA-N -1 0 341.432 3.916 20 0 EHADRM CCc1cccc(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)c1O ZINC001597575740 988361878 /nfs/dbraw/zinc/36/18/78/988361878.db2.gz FKWVTJBCRIGWGZ-UHFFFAOYSA-N -1 0 337.734 3.698 20 0 EHADRM CCc1cccc(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)n1 ZINC001597576273 988364254 /nfs/dbraw/zinc/36/42/54/988364254.db2.gz JKYVMYUOHYQCCM-UHFFFAOYSA-N -1 0 344.436 3.604 20 0 EHADRM CSc1ccc(Cl)c(NC(=O)c2ccoc2CC(=O)[O-])c1 ZINC001599813891 988385666 /nfs/dbraw/zinc/38/56/66/988385666.db2.gz BOYNZZZEUJYIQJ-UHFFFAOYSA-N -1 0 325.773 3.534 20 0 EHADRM CCc1cccc(CC)c1NC(=S)NCc1cc(C(=O)[O-])co1 ZINC001597585455 988396119 /nfs/dbraw/zinc/39/61/19/988396119.db2.gz OJQFRDVCBHPGEF-UHFFFAOYSA-N -1 0 332.425 3.589 20 0 EHADRM CSc1ccc(NC(=O)/C=C\c2cnc(C)s2)cc1C(=O)[O-] ZINC001599815640 988417591 /nfs/dbraw/zinc/41/75/91/988417591.db2.gz DKEURKXXJRRPDI-XQRVVYSFSA-N -1 0 334.422 3.524 20 0 EHADRM CCc1cccc(N(C)C(=O)Cn2cc(C(=O)[O-])c3ccccc32)c1 ZINC001597592863 988422180 /nfs/dbraw/zinc/42/21/80/988422180.db2.gz LAOFBHGUYBHRCL-UHFFFAOYSA-N -1 0 336.391 3.565 20 0 EHADRM CC(C)(C)OC(=O)[C@@H]1CCN(CCCCC(=O)[O-])c2ccccc21 ZINC001589860214 988427046 /nfs/dbraw/zinc/42/70/46/988427046.db2.gz MXLRWFWFEQJPCD-OAHLLOKOSA-N -1 0 333.428 3.577 20 0 EHADRM CSc1ccc(NC(=O)N2C[C@H](C3CC3)[C@H]2C2CC2)cc1C(=O)[O-] ZINC001599816920 988442765 /nfs/dbraw/zinc/44/27/65/988442765.db2.gz PAXDNSTUVGPXST-GDBMZVCRSA-N -1 0 346.452 3.759 20 0 EHADRM CSc1ccc(NC(=O)N2CC[C@@H](c3ccco3)C2)cc1C(=O)[O-] ZINC001599816906 988443124 /nfs/dbraw/zinc/44/31/24/988443124.db2.gz OYQWYCWSTQCQHN-LLVKDONJSA-N -1 0 346.408 3.721 20 0 EHADRM CSc1ccc(NC(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC001599818270 988466569 /nfs/dbraw/zinc/46/65/69/988466569.db2.gz PUAXKZHNYVBZAI-GFCCVEGCSA-N -1 0 336.438 3.808 20 0 EHADRM CSc1ccc(NC(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC001599818272 988466602 /nfs/dbraw/zinc/46/66/02/988466602.db2.gz PUAXKZHNYVBZAI-LBPRGKRZSA-N -1 0 336.438 3.808 20 0 EHADRM CCc1cccc2c1OCC[C@@H]2NC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001597603499 988467904 /nfs/dbraw/zinc/46/79/04/988467904.db2.gz GAXDYEWOTSQYQY-KRWDZBQOSA-N -1 0 339.391 3.509 20 0 EHADRM CSc1ccc(NC(=O)NCC2C(C)(C)C2(C)C)cc1C(=O)[O-] ZINC001599818440 988469239 /nfs/dbraw/zinc/46/92/39/988469239.db2.gz GPOLLYXJQCZKLS-UHFFFAOYSA-N -1 0 336.457 3.910 20 0 EHADRM CSc1ccc(NC(=O)NCC[C@@H]2CC[C@H]3C[C@H]32)cc1C(=O)[O-] ZINC001599818735 988474469 /nfs/dbraw/zinc/47/44/69/988474469.db2.gz KREBXEVEUPDNAA-GVXVVHGQSA-N -1 0 334.441 3.664 20 0 EHADRM CCc1ccccc1CNC(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC001597608886 988488650 /nfs/dbraw/zinc/48/86/50/988488650.db2.gz DSZWOORSOIMHSM-UHFFFAOYSA-N -1 0 344.436 3.991 20 0 EHADRM CSc1ccc(O)c(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC001599820235 988499972 /nfs/dbraw/zinc/49/99/72/988499972.db2.gz UIAZFFSMXFKQFP-UHFFFAOYSA-N -1 0 337.784 3.718 20 0 EHADRM CSc1ccc(NCc2cn3cccc(F)c3n2)cc1C(=O)[O-] ZINC001599820717 988509138 /nfs/dbraw/zinc/50/91/38/988509138.db2.gz KHRUOMSLLBECBP-UHFFFAOYSA-N -1 0 331.372 3.506 20 0 EHADRM CSc1cccc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC001599821856 988527936 /nfs/dbraw/zinc/52/79/36/988527936.db2.gz KOHQYXHYFZTWJA-GFCCVEGCSA-N -1 0 329.421 3.924 20 0 EHADRM CC(C)(C)OC(=O)CCSCc1ccc(C(=O)[O-])c2cccnc12 ZINC001589877588 988538190 /nfs/dbraw/zinc/53/81/90/988538190.db2.gz AKOLAHSQEZALQV-UHFFFAOYSA-N -1 0 347.436 3.898 20 0 EHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(OC)cc1C(=O)[O-] ZINC001597621958 988555952 /nfs/dbraw/zinc/55/59/52/988555952.db2.gz STDWLRSSJFCUEA-JKSUJKDBSA-N -1 0 339.391 3.698 20 0 EHADRM CSc1cccc(F)c1C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001599823680 988559073 /nfs/dbraw/zinc/55/90/73/988559073.db2.gz HFDOAFLXXOLJET-LBPRGKRZSA-N -1 0 339.432 3.559 20 0 EHADRM CSc1ccccc1CC(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1 ZINC001599824271 988570660 /nfs/dbraw/zinc/57/06/60/988570660.db2.gz UJHNWVJWDFGWIZ-UHFFFAOYSA-N -1 0 348.449 3.622 20 0 EHADRM CCc1ccsc1C(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21 ZINC001597625732 988573960 /nfs/dbraw/zinc/57/39/60/988573960.db2.gz FSANMCWSBVHWQX-CWTRNNRKSA-N -1 0 343.448 3.918 20 0 EHADRM CSc1ccccc1[C@@H](C)NC(=O)Nc1cc(C)c(C(=O)[O-])cn1 ZINC001599826278 988602368 /nfs/dbraw/zinc/60/23/68/988602368.db2.gz KBIUAYBNGQCQAU-LLVKDONJSA-N -1 0 345.424 3.693 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C ZINC001599832774 988698926 /nfs/dbraw/zinc/69/89/26/988698926.db2.gz LYTNGLJTVCUDJL-ZDUSSCGKSA-N -1 0 349.471 3.640 20 0 EHADRM CCc1nc(C(=O)Oc2cccc3c(CC(=O)[O-])cccc23)c(C)o1 ZINC001597652517 988699152 /nfs/dbraw/zinc/69/91/52/988699152.db2.gz OFSIOMSABCHZAQ-UHFFFAOYSA-N -1 0 339.347 3.545 20 0 EHADRM C[C@@H](CC(=O)[O-])OC(=O)c1cc(Br)cc2ccccc21 ZINC001599834879 988726727 /nfs/dbraw/zinc/72/67/27/988726727.db2.gz KBJMWXKSDRKNNW-VIFPVBQESA-N -1 0 337.169 3.622 20 0 EHADRM CCc1nc(CC(=O)O[C@H]2CCCc3cc(C(=O)[O-])ccc32)cs1 ZINC001597663345 988742074 /nfs/dbraw/zinc/74/20/74/988742074.db2.gz WSHJLXSCUWCNIR-HNNXBMFYSA-N -1 0 345.420 3.567 20 0 EHADRM C[C@@H](NC(=O)/C=C/c1cc(C(=O)[O-])co1)c1ccc(Cl)s1 ZINC001599838118 988777720 /nfs/dbraw/zinc/77/77/20/988777720.db2.gz UANBNPDXTNEUSB-IBDUZEINSA-N -1 0 325.773 3.583 20 0 EHADRM C[C@@H](NC(=O)/C=C\c1cc(C(=O)[O-])co1)c1ccc(F)cc1Cl ZINC001599838156 988778333 /nfs/dbraw/zinc/77/83/33/988778333.db2.gz XJXITQFYAABNCY-AZVKUDOFSA-N -1 0 337.734 3.661 20 0 EHADRM C[C@@H](OC(=O)CC(C)(C)CC(=O)[O-])c1cccc(OC(F)F)c1 ZINC001599846639 988943716 /nfs/dbraw/zinc/94/37/16/988943716.db2.gz SQCIBJONPSXWRJ-SNVBAGLBSA-N -1 0 330.327 3.783 20 0 EHADRM CCc1nnc(-c2cccc(N[C@@H](C)CC(C)(C)CC(=O)[O-])c2)o1 ZINC001597724203 989017986 /nfs/dbraw/zinc/01/79/86/989017986.db2.gz ILZCVGOJJHGCSQ-LBPRGKRZSA-N -1 0 331.416 3.990 20 0 EHADRM CCc1noc(C)c1C(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1 ZINC001597742617 989109290 /nfs/dbraw/zinc/10/92/90/989109290.db2.gz URFCOGYQQQMGNY-UHFFFAOYSA-N -1 0 349.412 3.610 20 0 EHADRM CCc1nocc1CSCCOc1ccc(/C=C\C(=O)[O-])cc1 ZINC001597756985 989177067 /nfs/dbraw/zinc/17/70/67/989177067.db2.gz TUVSRQYXRCAXMI-YVMONPNESA-N -1 0 333.409 3.647 20 0 EHADRM CCc1nocc1CNc1ccc(Br)c(C(=O)[O-])c1C ZINC001597757360 989178361 /nfs/dbraw/zinc/17/83/61/989178361.db2.gz XGKYOMIGQOIOCC-UHFFFAOYSA-N -1 0 339.189 3.618 20 0 EHADRM CCc1oc(CNc2cc(-c3ccnn3C)ccc2C)cc1C(=O)[O-] ZINC001597805155 989410801 /nfs/dbraw/zinc/41/08/01/989410801.db2.gz UTVBQWNEPDCITM-UHFFFAOYSA-N -1 0 339.395 3.861 20 0 EHADRM CCc1oc2ccccc2c1CC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C ZINC001597808021 989422532 /nfs/dbraw/zinc/42/25/32/989422532.db2.gz QDHPADOCCZJWSR-INIZCTEOSA-N -1 0 331.412 3.543 20 0 EHADRM CCc1onc(C)c1CN[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001597813556 989433745 /nfs/dbraw/zinc/43/37/45/989433745.db2.gz GNXGOXLZRPLCAA-AWEZNQCLSA-N -1 0 343.210 3.768 20 0 EHADRM CCc1sc(C(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)cc1C ZINC001597818346 989452945 /nfs/dbraw/zinc/45/29/45/989452945.db2.gz QGCOMIFDJQUVLA-UHFFFAOYSA-N -1 0 336.438 3.903 20 0 EHADRM C[C@@H]1C[C@H](C(=O)OCc2ccc(C3CCCCC3)cc2)O[C@H]1C(=O)[O-] ZINC001599879068 989459458 /nfs/dbraw/zinc/45/94/58/989459458.db2.gz GFPYRVVEEFOBIP-FSPWUOQZSA-N -1 0 346.423 3.656 20 0 EHADRM CCn1c(CSCc2cccc(C(=O)[O-])n2)nc2c1cccc2F ZINC001597856142 989610067 /nfs/dbraw/zinc/61/00/67/989610067.db2.gz KNILEURTCHMBQQ-UHFFFAOYSA-N -1 0 345.399 3.722 20 0 EHADRM CCn1cc([C@H](C)N[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)cn1 ZINC001597882855 989715287 /nfs/dbraw/zinc/71/52/87/989715287.db2.gz WHKCBOJYDLBHEC-XPTSAGLGSA-N -1 0 342.226 3.686 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccc2c(c1)CCCN2CCCC(=O)[O-] ZINC001590314598 989742612 /nfs/dbraw/zinc/74/26/12/989742612.db2.gz GWDNKMIGKHCDMS-UHFFFAOYSA-N -1 0 334.416 3.651 20 0 EHADRM CCn1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)c1C ZINC001597901864 989774805 /nfs/dbraw/zinc/77/48/05/989774805.db2.gz APPMDBYWYOTEPC-SFHVURJKSA-N -1 0 336.391 3.525 20 0 EHADRM CC(C)(C)OC(=O)c1ccc(/C=C(\C(=O)[O-])c2ccncc2)cc1 ZINC001590364875 989833107 /nfs/dbraw/zinc/83/31/07/989833107.db2.gz VMNKLDPPDHHBQF-VBKFSLOCSA-N -1 0 325.364 3.662 20 0 EHADRM CC(C)(C)OCCCC(=O)O[C@H](C(=O)[O-])c1ccccc1Cl ZINC001590382976 989901573 /nfs/dbraw/zinc/90/15/73/989901573.db2.gz VTJFJSSWZYEYTB-AWEZNQCLSA-N -1 0 328.792 3.604 20 0 EHADRM CC(C)(C)OCc1ccc(NC(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC001590395518 989917126 /nfs/dbraw/zinc/91/71/26/989917126.db2.gz BGUQNVVFXGEZQC-UHFFFAOYSA-N -1 0 346.383 3.615 20 0 EHADRM Cc1noc(C)c1[N-]S(=O)(=O)c1cc(Cl)c(C)c(Cl)c1 ZINC000339687255 1015520265 /nfs/dbraw/zinc/52/02/65/1015520265.db2.gz HVACTNUVUSWCDM-UHFFFAOYSA-N -1 0 335.212 3.707 20 0 EHADRM CC(C)(C)[C@H](Nc1ncnc2c(-c3ccccc3)nsc21)C(=O)[O-] ZINC001590451093 990010783 /nfs/dbraw/zinc/01/07/83/990010783.db2.gz AJBDNKOGJGCMMP-CQSZACIVSA-N -1 0 342.424 3.665 20 0 EHADRM CN(C(=O)/C(=C\c1ccccc1)C(F)(F)F)c1ccccc1C(=O)[O-] ZINC001597983260 990057822 /nfs/dbraw/zinc/05/78/22/990057822.db2.gz XDHDEHYBGHIGLE-SDNWHVSQSA-N -1 0 349.308 3.994 20 0 EHADRM CC(C)(C)c1cccc(C(=O)NCc2ccc(Cl)c(C(=O)[O-])n2)c1 ZINC001590499345 990111941 /nfs/dbraw/zinc/11/19/41/990111941.db2.gz SLXHCGCLJZQOAU-UHFFFAOYSA-N -1 0 346.814 3.661 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCCN2C(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001590501107 990117453 /nfs/dbraw/zinc/11/74/53/990117453.db2.gz UEKNIVQVNJQXKV-UHFFFAOYSA-N -1 0 326.396 3.603 20 0 EHADRM CC(C)(C)c1ccccc1OCC(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC001590505225 990119397 /nfs/dbraw/zinc/11/93/97/990119397.db2.gz GZSQVJNEFYYJCD-GOSISDBHSA-N -1 0 342.391 3.732 20 0 EHADRM CC(C)(C)c1ccccc1OCC(=O)NCC1(C(=O)[O-])CCCCC1 ZINC001590506069 990121337 /nfs/dbraw/zinc/12/13/37/990121337.db2.gz QGTJNUYYVWJEPY-UHFFFAOYSA-N -1 0 347.455 3.514 20 0 EHADRM CC(C)(C)c1cnc(CN2CCc3ccccc3[C@H]2C(=O)[O-])s1 ZINC001590515752 990130737 /nfs/dbraw/zinc/13/07/37/990130737.db2.gz FJFIXSCUTYDPQE-INIZCTEOSA-N -1 0 330.453 3.625 20 0 EHADRM CC(C)(C)c1csc(C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)n1 ZINC001590533314 990146142 /nfs/dbraw/zinc/14/61/42/990146142.db2.gz VNJYGBINTYSDAF-UHFFFAOYSA-N -1 0 343.408 3.872 20 0 EHADRM CN(C(=O)CC(C)(C)CC(=O)[O-])c1nc2cccc(Cl)c2s1 ZINC001598008744 990172774 /nfs/dbraw/zinc/17/27/74/990172774.db2.gz ZNHTYODMSWCLGK-UHFFFAOYSA-N -1 0 340.832 3.804 20 0 EHADRM CC(C)(C)c1nc2ccc(NC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)cc2s1 ZINC001590545824 990185429 /nfs/dbraw/zinc/18/54/29/990185429.db2.gz QHFUEBBBFSBRLI-JGZJWPJOSA-N -1 0 347.440 3.579 20 0 EHADRM O=C(N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1c([O-])cc(F)cc1F ZINC000119864787 1015546725 /nfs/dbraw/zinc/54/67/25/1015546725.db2.gz HUNRVTODBMPLHW-BLLLJJGKSA-N -1 0 347.361 3.568 20 0 EHADRM CN(C(=O)Cc1cccc(C(=O)[O-])c1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001598036527 990263846 /nfs/dbraw/zinc/26/38/46/990263846.db2.gz LFHILGVJFXFNPV-MOPGFXCFSA-N -1 0 337.419 3.722 20 0 EHADRM CN(C(=O)Nc1cc(C(=O)[O-])n(C)c1)[C@H]1CCC[C@H]1c1ccccc1 ZINC001598056706 990318096 /nfs/dbraw/zinc/31/80/96/990318096.db2.gz STMRLMYETXVTBH-HOTGVXAUSA-N -1 0 341.411 3.523 20 0 EHADRM CN(C(=O)Nc1cccc(SCCC(=O)[O-])c1)c1cccc(O)c1 ZINC001598062338 990338242 /nfs/dbraw/zinc/33/82/42/990338242.db2.gz WJIQHEJVWZMAKJ-UHFFFAOYSA-N -1 0 346.408 3.627 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)C1=CCCC1 ZINC001590738166 990530712 /nfs/dbraw/zinc/53/07/12/990530712.db2.gz DIXOYUXTPVMCJB-UHFFFAOYSA-N -1 0 342.399 3.519 20 0 EHADRM CC(C)(CNC(=O)c1c(F)cccc1Sc1ccccc1)C(=O)[O-] ZINC001590747270 990545754 /nfs/dbraw/zinc/54/57/54/990545754.db2.gz QOGBOXXXQGQJFZ-UHFFFAOYSA-N -1 0 347.411 3.818 20 0 EHADRM CN(C)C(=O)c1cccc(CSCCc2ccccc2C(=O)[O-])c1 ZINC001598157248 990649834 /nfs/dbraw/zinc/64/98/34/990649834.db2.gz OVNKNISSBXTTEN-UHFFFAOYSA-N -1 0 343.448 3.563 20 0 EHADRM CC(C)(NC(=O)Nc1cc(C(=O)[O-])cc2cccnc21)C1CCC1 ZINC001590854887 990736858 /nfs/dbraw/zinc/73/68/58/990736858.db2.gz OEQDPGQGVLGREI-UHFFFAOYSA-N -1 0 327.384 3.633 20 0 EHADRM CC(C)(NC(=O)c1ccc(/C=C\C(=O)[O-])o1)c1ccc(Cl)cc1 ZINC001590861365 990751935 /nfs/dbraw/zinc/75/19/35/990751935.db2.gz ACJFOBVTUZVVTF-NTMALXAHSA-N -1 0 333.771 3.696 20 0 EHADRM CC(C)=C(C)CC(=O)N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001590912653 990889108 /nfs/dbraw/zinc/88/91/08/990889108.db2.gz NDUDJJWUFOLZRP-AWEZNQCLSA-N -1 0 329.318 3.694 20 0 EHADRM CC(C)=CCC[C@H](C)NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001590922057 990917106 /nfs/dbraw/zinc/91/71/06/990917106.db2.gz RVZCLAHUJSFSRY-JTQLQIEISA-N -1 0 326.343 3.919 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001590926878 990928345 /nfs/dbraw/zinc/92/83/45/990928345.db2.gz JWZAUYJSNVDYAX-HUUCEWRRSA-N -1 0 347.480 3.928 20 0 EHADRM COc1cccc(SCC(=O)c2c[nH]c3ccc(C(=O)[O-])cc32)c1 ZINC001599683894 990955534 /nfs/dbraw/zinc/95/55/34/990955534.db2.gz DJCJZMGAVMLSAV-UHFFFAOYSA-N -1 0 341.388 3.850 20 0 EHADRM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(F)c(C(=O)[O-])c2C)c1 ZINC001599685003 990973555 /nfs/dbraw/zinc/97/35/55/990973555.db2.gz ZIHNDRQVTSUHLM-UONOGXRCSA-N -1 0 343.354 3.583 20 0 EHADRM COc1cccc2[nH]c(C(=O)Nc3ccc(C(=O)[O-])c(Cl)c3)cc21 ZINC001599688602 991028444 /nfs/dbraw/zinc/02/84/44/991028444.db2.gz QMKGPPADWOBPGC-UHFFFAOYSA-N -1 0 344.754 3.780 20 0 EHADRM COc1cccc2c(C(=O)Nc3cc(F)cc(C(=O)[O-])c3F)coc21 ZINC001599689318 991041132 /nfs/dbraw/zinc/04/11/32/991041132.db2.gz IWONGHVDJAKTPC-UHFFFAOYSA-N -1 0 347.273 3.670 20 0 EHADRM COc1cccc2c(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)coc21 ZINC001599689929 991051112 /nfs/dbraw/zinc/05/11/12/991051112.db2.gz WLNRGTHTDUSDGF-UHFFFAOYSA-N -1 0 329.283 3.531 20 0 EHADRM COc1cccc2c(C(=O)Nc3scc(C)c3C(=O)[O-])coc21 ZINC001599690002 991052530 /nfs/dbraw/zinc/05/25/30/991052530.db2.gz ZCMMHZYWESAGTI-UHFFFAOYSA-N -1 0 331.349 3.762 20 0 EHADRM COc1cccc2cc(CNCc3ccc(C(=O)[O-])cc3F)oc21 ZINC001599691556 991078262 /nfs/dbraw/zinc/07/82/62/991078262.db2.gz AJQHAJCZZHJXRQ-UHFFFAOYSA-N -1 0 329.327 3.569 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)C(=O)OCc1ccc(C(=O)[O-])o1 ZINC001590967806 991086503 /nfs/dbraw/zinc/08/65/03/991086503.db2.gz IOYLDXOLZVLMII-IBGZPJMESA-N -1 0 330.380 3.926 20 0 EHADRM CC(C)[C@@H](C)N(c1ccccc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001590974362 991109068 /nfs/dbraw/zinc/10/90/68/991109068.db2.gz IPLDNOCDVHLMQT-CQSZACIVSA-N -1 0 347.436 3.625 20 0 EHADRM COc1cccc2ncnc(Nc3ccc([C@@H]4C[C@H]4C(=O)[O-])cc3)c21 ZINC001599693722 991114259 /nfs/dbraw/zinc/11/42/59/991114259.db2.gz UJGWIXWJIHCBJQ-UONOGXRCSA-N -1 0 335.363 3.570 20 0 EHADRM CC(C)[C@@H](CNC(=O)NCC1(CC(=O)[O-])CCCC1)c1ccccc1 ZINC001590983222 991158475 /nfs/dbraw/zinc/15/84/75/991158475.db2.gz FEOCHUVDFAOIRZ-QGZVFWFLSA-N -1 0 346.471 3.761 20 0 EHADRM COc1ccccc1[C@H](C)N(Cc1ccc(C)c(C(=O)[O-])c1)OC ZINC001599697507 991170697 /nfs/dbraw/zinc/17/06/97/991170697.db2.gz GKPFWLQGBICQAK-AWEZNQCLSA-N -1 0 329.396 3.826 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001599698413 991182984 /nfs/dbraw/zinc/18/29/84/991182984.db2.gz ZESUWEIPAQNSDU-CMQXMCPJSA-N -1 0 345.439 3.638 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)N(C1CC1)C1CCCCC1 ZINC001598295077 991223730 /nfs/dbraw/zinc/22/37/30/991223730.db2.gz QXLWKNQGJAJIIX-UHFFFAOYSA-N -1 0 345.443 3.780 20 0 EHADRM CC(C)[C@H](NC(=O)CSc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001591001863 991261030 /nfs/dbraw/zinc/26/10/30/991261030.db2.gz JCQHSHYDDQTQMU-SFHVURJKSA-N -1 0 343.448 3.990 20 0 EHADRM CC(C)[C@@H](NC(=O)Nc1cc(C(=O)[O-])cnc1Cl)c1ccccc1 ZINC001591012855 991278460 /nfs/dbraw/zinc/27/84/60/991278460.db2.gz AWZOUBAIYHUBCF-CQSZACIVSA-N -1 0 347.802 3.952 20 0 EHADRM CC(C)[C@@H](NC(=O)Nc1cc(C(=O)[O-])n(C)c1)c1ccc(Cl)cc1 ZINC001591013467 991285024 /nfs/dbraw/zinc/28/50/24/991285024.db2.gz QSFJIQRYHARLTK-OAHLLOKOSA-N -1 0 349.818 3.896 20 0 EHADRM CN(C)c1ccc(OC(=O)[C@H]2CCCC[C@H]2C2CC2)cc1C(=O)[O-] ZINC001598328787 991356385 /nfs/dbraw/zinc/35/63/85/991356385.db2.gz BNGMGTNGVFBBRI-GJZGRUSLSA-N -1 0 331.412 3.573 20 0 EHADRM CC(C)[C@@H](OC(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccccn1 ZINC001591047082 991440825 /nfs/dbraw/zinc/44/08/25/991440825.db2.gz LMZPZDQLRKDPSE-OAHLLOKOSA-N -1 0 333.771 3.987 20 0 EHADRM CC(C)[C@H](SCc1ccccc1)C(=O)NCC(C)(C)CC(=O)[O-] ZINC001591051422 991449981 /nfs/dbraw/zinc/44/99/81/991449981.db2.gz BUMRLNVGWKJFOO-INIZCTEOSA-N -1 0 337.485 3.562 20 0 EHADRM CC(C)[C@@]1(C)C[C@H]1C(=O)OCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001591062052 991506152 /nfs/dbraw/zinc/50/61/52/991506152.db2.gz SEITUOIYKKDBGP-HNAYVOBHSA-N -1 0 343.379 3.765 20 0 EHADRM CC(C)[C@@]1(C)C[C@@H]1C(=O)OCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001591062050 991506229 /nfs/dbraw/zinc/50/62/29/991506229.db2.gz SEITUOIYKKDBGP-DNVCBOLYSA-N -1 0 343.379 3.765 20 0 EHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)C1 ZINC001591081056 991590400 /nfs/dbraw/zinc/59/04/00/991590400.db2.gz GOQCCUBBQYWNHZ-CABCVRRESA-N -1 0 342.439 3.671 20 0 EHADRM CC(C)[C@H]1CCCN(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CC1 ZINC001591086674 991602066 /nfs/dbraw/zinc/60/20/66/991602066.db2.gz ARCMYQWZGOKOEN-ZDUSSCGKSA-N -1 0 336.407 3.743 20 0 EHADRM CC(C)[C@H]1CCCCCN1C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001591088158 991618967 /nfs/dbraw/zinc/61/89/67/991618967.db2.gz DADNDJVIRDUXSF-OAHLLOKOSA-N -1 0 344.415 3.694 20 0 EHADRM COc1cncc(/C=C/CCNc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC001599726184 991629385 /nfs/dbraw/zinc/62/93/85/991629385.db2.gz GIOGHZBECIIZBR-SJDLMVEWSA-N -1 0 340.423 3.869 20 0 EHADRM CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001591093371 991657369 /nfs/dbraw/zinc/65/73/69/991657369.db2.gz RJHHHTUKFUQBFS-SJLPKXTDSA-N -1 0 332.444 3.848 20 0 EHADRM CC(C)[C@H]1N(C(=O)NCc2ccc(C(=O)[O-])s2)CC12CCCC2 ZINC001591098268 991697989 /nfs/dbraw/zinc/69/79/89/991697989.db2.gz ALCPDNVDRPDZIT-CQSZACIVSA-N -1 0 336.457 3.557 20 0 EHADRM CC(C)[C@H]1N(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)CC1(C)C ZINC001591099075 991707365 /nfs/dbraw/zinc/70/73/65/991707365.db2.gz JZPPRIUJWIQIDC-MRXNPFEDSA-N -1 0 341.411 3.831 20 0 EHADRM CC(C)[C@H]1N(C(=O)Nc2cccc(F)c2C(=O)[O-])CC12CC=CC2 ZINC001591099931 991717384 /nfs/dbraw/zinc/71/73/84/991717384.db2.gz SHMCZXNOPAEYKG-OAHLLOKOSA-N -1 0 332.375 3.732 20 0 EHADRM CC(C)[C@H]1c2ccccc2CCN1C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001591104459 991727693 /nfs/dbraw/zinc/72/76/93/991727693.db2.gz DKNBYNUTVNHPCR-FQEVSTJZSA-N -1 0 337.419 3.709 20 0 EHADRM COc1ncc(CN2CCc3ccc(C(=O)[O-])cc32)c2ccccc21 ZINC001599735210 991765204 /nfs/dbraw/zinc/76/52/04/991765204.db2.gz SIJOJBFYVFZSGN-UHFFFAOYSA-N -1 0 334.375 3.504 20 0 EHADRM CC(C)C[C@@H](C)C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001591131656 991828461 /nfs/dbraw/zinc/82/84/61/991828461.db2.gz WKELVFORDVOCBM-UHOFOFEASA-N -1 0 337.847 3.649 20 0 EHADRM CC(C)C[C@@H](C)NC(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001591137569 991844540 /nfs/dbraw/zinc/84/45/40/991844540.db2.gz HRSKAXBDGRIJBX-SECBINFHSA-N -1 0 343.221 3.703 20 0 EHADRM CC(C)C[C@@H](C)n1nccc1NC(=O)c1ccccc1CCC(=O)[O-] ZINC001591143921 991874104 /nfs/dbraw/zinc/87/41/04/991874104.db2.gz XCHYBVQOKASAKG-CQSZACIVSA-N -1 0 343.427 3.760 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1ccc(-c2ccc[nH]2)cc1)C(=O)[O-] ZINC001591150556 991892143 /nfs/dbraw/zinc/89/21/43/991892143.db2.gz FIBPNDFBZMDNLW-AWEZNQCLSA-N -1 0 329.400 3.550 20 0 EHADRM CN(CC1CCC1)C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001598453155 991912005 /nfs/dbraw/zinc/91/20/05/991912005.db2.gz BVKJPZNTFXFDSS-UHFFFAOYSA-N -1 0 345.443 3.639 20 0 EHADRM CC(C)C[C@@H](NC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)c1ccccc1 ZINC001591178458 991976512 /nfs/dbraw/zinc/97/65/12/991976512.db2.gz REFSBCGVJKHECN-HLIPFELVSA-N -1 0 344.455 3.813 20 0 EHADRM CC(C)C[C@@H](Sc1nnc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC001591191338 992001840 /nfs/dbraw/zinc/00/18/40/992001840.db2.gz WJCMPRHAHOLHDW-LLVKDONJSA-N -1 0 326.805 3.981 20 0 EHADRM COCC1(CNC(=O)c2cccc(C(F)(F)F)c2[O-])CCCCC1 ZINC001625821158 1015681025 /nfs/dbraw/zinc/68/10/25/1015681025.db2.gz HBVUILFMAZIVTH-UHFFFAOYSA-N -1 0 345.361 3.738 20 0 EHADRM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)NCCc1ccccc1C(=O)[O-] ZINC001591223353 992095179 /nfs/dbraw/zinc/09/51/79/992095179.db2.gz YAPHEEONCVBGTN-WMZOPIPTSA-N -1 0 346.471 3.831 20 0 EHADRM CC(C)CCOCCNC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001591256665 992156212 /nfs/dbraw/zinc/15/62/12/992156212.db2.gz MXNKZICQTKTVPW-UHFFFAOYSA-N -1 0 344.411 3.722 20 0 EHADRM CC(C)CCOc1ccccc1NC(=O)NCc1ccc(C(=O)[O-])o1 ZINC001591265913 992175030 /nfs/dbraw/zinc/17/50/30/992175030.db2.gz FWUWPZQLAVHKII-UHFFFAOYSA-N -1 0 346.383 3.724 20 0 EHADRM CC(C)CN(C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2)C1CCCC1 ZINC001591280231 992207149 /nfs/dbraw/zinc/20/71/49/992207149.db2.gz GURFXRCFHXCCCY-UHFFFAOYSA-N -1 0 348.399 3.546 20 0 EHADRM CC(C)CN(C(=O)C[C@@]12CCCC[C@@H]1C2(F)F)C(C)(C)C(=O)[O-] ZINC001591281481 992215885 /nfs/dbraw/zinc/21/58/85/992215885.db2.gz PJCIYRBPGIGYPX-LRDDRELGSA-N -1 0 331.403 3.550 20 0 EHADRM CC(C)CN(C(=O)c1ccc(-c2cccs2)o1)C(C)(C)C(=O)[O-] ZINC001591284875 992220574 /nfs/dbraw/zinc/22/05/74/992220574.db2.gz GQQFPAAAVMFLIF-UHFFFAOYSA-N -1 0 335.425 3.970 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)CCc1cccc(OC2CCCC2)c1 ZINC001591294636 992245558 /nfs/dbraw/zinc/24/55/58/992245558.db2.gz RHJVYSVFTDYFEV-UHFFFAOYSA-N -1 0 347.455 3.510 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CCCCc1cccc(O)c1 ZINC001591308873 992263139 /nfs/dbraw/zinc/26/31/39/992263139.db2.gz CXEHMLRJAKLICX-UHFFFAOYSA-N -1 0 349.471 3.700 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CSCc1cccs1 ZINC001591309231 992265540 /nfs/dbraw/zinc/26/55/40/992265540.db2.gz QFPBKEFDTCVUEH-UHFFFAOYSA-N -1 0 343.514 3.577 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)/C=C/SCc1ccco1 ZINC001591309917 992270779 /nfs/dbraw/zinc/27/07/79/992270779.db2.gz OQZOSSQSUYAOFY-VQHVLOKHSA-N -1 0 339.457 3.622 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)NCC(C1CCC1)C1CCC1 ZINC001598511650 992571753 /nfs/dbraw/zinc/57/17/53/992571753.db2.gz TZALLBCPWPPUGC-UHFFFAOYSA-N -1 0 344.455 3.743 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001591483204 992601049 /nfs/dbraw/zinc/60/10/49/992601049.db2.gz BYEPXJOKGQFKAX-HXUWFJFHSA-N -1 0 345.483 3.967 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c1 ZINC001591489807 992621311 /nfs/dbraw/zinc/62/13/11/992621311.db2.gz YALKDJKJNLBAGL-KLHJMIIUSA-N -1 0 343.467 3.844 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)N(C)[C@H]3C[C@@H](C(=O)[O-])C3)ccc21 ZINC001591521429 992690774 /nfs/dbraw/zinc/69/07/74/992690774.db2.gz JCLGVDLSQIQBAR-FZNQNYSPSA-N -1 0 343.427 3.624 20 0 EHADRM CC(C)Cn1ncc(N[C@H](C(=O)[O-])c2ccc(F)cc2)c1C1CC1 ZINC001591533538 992711306 /nfs/dbraw/zinc/71/13/06/992711306.db2.gz LJUVEZMKPPERCK-INIZCTEOSA-N -1 0 331.391 3.793 20 0 EHADRM CC(C)Cn1ncc(NC(=O)c2ccccc2C(=O)[O-])c1C(C)C ZINC001591533922 992713503 /nfs/dbraw/zinc/71/35/03/992713503.db2.gz RWFNGLBFMANCGZ-UHFFFAOYSA-N -1 0 329.400 3.613 20 0 EHADRM CC(C)N(C(=O)c1csc(C(=O)[O-])n1)c1ccc(F)cc1Cl ZINC001591542338 992722192 /nfs/dbraw/zinc/72/21/92/992722192.db2.gz HUDMMTPODYQYRN-UHFFFAOYSA-N -1 0 342.779 3.689 20 0 EHADRM CN(Cc1ccccc1Cl)C(=O)c1ccccc1CCC(=O)[O-] ZINC001598529496 992760622 /nfs/dbraw/zinc/76/06/22/992760622.db2.gz NTGZODUNBJTIRA-UHFFFAOYSA-N -1 0 331.799 3.629 20 0 EHADRM CC(C)[C@@H]1CCCCCN1C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001593062470 993577329 /nfs/dbraw/zinc/57/73/29/993577329.db2.gz IXPGWVXCOTZIJG-NEPJUHHUSA-N -1 0 339.461 3.513 20 0 EHADRM C[C@H](NC(=O)NCC(C)(C)CC(=O)[O-])c1csc2ccccc21 ZINC001593082647 993673471 /nfs/dbraw/zinc/67/34/71/993673471.db2.gz NYIXTPLOGUTVSH-NSHDSACASA-N -1 0 334.441 3.762 20 0 EHADRM COc1ccc(NC(=O)CC(C)(C)c2ccc(F)cc2)c(C(=O)[O-])c1 ZINC001599590715 993678320 /nfs/dbraw/zinc/67/83/20/993678320.db2.gz URJSKIHBSCDPSG-UHFFFAOYSA-N -1 0 345.370 3.839 20 0 EHADRM COc1ccc(N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1OC(C)C ZINC001599596483 993755481 /nfs/dbraw/zinc/75/54/81/993755481.db2.gz DUZGJPPNJMDHGM-KRWDZBQOSA-N -1 0 333.359 3.859 20 0 EHADRM C[C@@H](NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)[C@@H](C)c1ccccc1 ZINC001593112623 993787565 /nfs/dbraw/zinc/78/75/65/993787565.db2.gz OOETYWBTGPFFDX-GHMZBOCLSA-N -1 0 348.349 3.977 20 0 EHADRM COc1ccc(OC(=O)Cc2ccc(C(=O)[O-])cc2)c2ccccc12 ZINC001599599818 993799158 /nfs/dbraw/zinc/79/91/58/993799158.db2.gz REFKOZSCVSLPTM-UHFFFAOYSA-N -1 0 336.343 3.695 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)C1CCC(F)(F)CC1 ZINC001593115669 993802761 /nfs/dbraw/zinc/80/27/61/993802761.db2.gz PWBDGXDXBAAOLE-VIFPVBQESA-N -1 0 344.333 3.859 20 0 EHADRM C[C@H](NC(=O)Nc1ccc2sccc2c1)c1ncc(C(=O)[O-])s1 ZINC001593118749 993833484 /nfs/dbraw/zinc/83/34/84/993833484.db2.gz UNDPKXUGDFENSY-QMMMGPOBSA-N -1 0 347.421 3.939 20 0 EHADRM COc1ccc(S[C@@H](C(=O)[O-])c2cc(OC)cc(OC)c2)cc1 ZINC001599618867 994053821 /nfs/dbraw/zinc/05/38/21/994053821.db2.gz AXNMBCSUYVVQOK-MRXNPFEDSA-N -1 0 334.393 3.630 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)CCc2ccc(C(=O)[O-])cc2)cc1C ZINC001599620466 994074010 /nfs/dbraw/zinc/07/40/10/994074010.db2.gz QTJMWZQNMZSRGL-CQSZACIVSA-N -1 0 341.407 3.512 20 0 EHADRM C[C@@H](NC(=O)c1csc(C(=O)[O-])n1)c1csc2ccccc21 ZINC001593189323 994111869 /nfs/dbraw/zinc/11/18/69/994111869.db2.gz PUESYEUVWFMDAR-MRVPVSSYSA-N -1 0 332.406 3.547 20 0 EHADRM COc1ccc2c(CC(=O)Nc3ccc(C(=O)[O-])cc3)coc2c1C ZINC001599624635 994131075 /nfs/dbraw/zinc/13/10/75/994131075.db2.gz ZDPYXQYBBWUKSG-UHFFFAOYSA-N -1 0 339.347 3.629 20 0 EHADRM C[C@H](N[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl)c1ccccn1 ZINC001593194709 994139365 /nfs/dbraw/zinc/13/93/65/994139365.db2.gz MAASMWFIQDYZAC-LKFCYVNXSA-N -1 0 325.195 3.865 20 0 EHADRM C[C@@H](N[C@H](C)c1nc(-c2cccc(F)c2)no1)c1ccc(C(=O)[O-])o1 ZINC001593203034 994184955 /nfs/dbraw/zinc/18/49/55/994184955.db2.gz CDKMCQRHWZNUDG-NXEZZACHSA-N -1 0 345.330 3.579 20 0 EHADRM O=C(Nc1ccccc1Cl)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000339893664 1015842044 /nfs/dbraw/zinc/84/20/44/1015842044.db2.gz YKEYAHCOFIAYGC-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM C[C@@H](N[C@@H](C)c1nc2ccccc2o1)c1ccc(OCC(=O)[O-])cc1 ZINC001593205350 994212710 /nfs/dbraw/zinc/21/27/10/994212710.db2.gz ZZMKTFVXFISHDL-OLZOCXBDSA-N -1 0 340.379 3.703 20 0 EHADRM COc1ccc2cc(C(=O)O[C@H](C(=O)[O-])c3ccccc3)ccc2c1 ZINC001599634442 994266044 /nfs/dbraw/zinc/26/60/44/994266044.db2.gz CQVLPURBCSLWKL-SFHVURJKSA-N -1 0 336.343 3.831 20 0 EHADRM COc1ccc2nc(NCc3ccc(OC)c(C(=O)[O-])c3)ccc2c1 ZINC001599634857 994272177 /nfs/dbraw/zinc/27/21/77/994272177.db2.gz JBWBUAQMVRQBJU-UHFFFAOYSA-N -1 0 338.363 3.562 20 0 EHADRM C[C@@H](N[C@@H]1CCCc2ccc(C(=O)[O-])cc21)c1c(F)cncc1F ZINC001593219674 994303299 /nfs/dbraw/zinc/30/32/99/994303299.db2.gz PCNCWMPEVFRWBN-QLJPJBMISA-N -1 0 332.350 3.786 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)CC(C1CCC1)C1CCC1 ZINC001599643913 994397964 /nfs/dbraw/zinc/39/79/64/994397964.db2.gz IPMQBHPRWMHXDN-UHFFFAOYSA-N -1 0 332.396 3.905 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)[C@@H](C)Cc1cccc(Cl)c1 ZINC001599644651 994407938 /nfs/dbraw/zinc/40/79/38/994407938.db2.gz RGFTUFMGPLZDCJ-NSHDSACASA-N -1 0 348.782 3.831 20 0 EHADRM C[C@@H](NCC(F)(F)c1cc(F)cc(F)c1)c1ncc(C(=O)[O-])s1 ZINC001593249080 994474885 /nfs/dbraw/zinc/47/48/85/994474885.db2.gz WDMJVGHCPZLBAV-SSDOTTSWSA-N -1 0 348.321 3.562 20 0 EHADRM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)[C@@H]2CCC(C)=C(C)C2)c1 ZINC001599649655 994477301 /nfs/dbraw/zinc/47/73/01/994477301.db2.gz MNYBLPPCZSYKRT-FOIQADDNSA-N -1 0 345.439 3.638 20 0 EHADRM COc1cccc([C@H](C)C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)c1 ZINC001599654516 994556771 /nfs/dbraw/zinc/55/67/71/994556771.db2.gz PPRZQDOZYCTXPI-NSHDSACASA-N -1 0 338.363 3.617 20 0 EHADRM COc1cccc([C@@H](Sc2ccc3c(c2)OCCCO3)C(=O)[O-])c1 ZINC001599660602 994649489 /nfs/dbraw/zinc/64/94/89/994649489.db2.gz HHEJGLNQLDSHTE-QGZVFWFLSA-N -1 0 346.404 3.775 20 0 EHADRM C[C@@](NCc1cc(-c2ccccc2)on1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593289742 994666091 /nfs/dbraw/zinc/66/60/91/994666091.db2.gz WTXRDSCNVZGZFS-IBGZPJMESA-N -1 0 340.354 3.570 20 0 EHADRM COc1cccc([C@H](OC(=O)c2cncc(C(=O)[O-])c2)C(C)(C)C)c1 ZINC001599662816 994682191 /nfs/dbraw/zinc/68/21/91/994682191.db2.gz TVCGHUGQUBILRJ-INIZCTEOSA-N -1 0 343.379 3.733 20 0 EHADRM C[C@H](NCc1ccc(Cl)c(C(=O)[O-])n1)c1nccc2ccccc21 ZINC001593298344 994713822 /nfs/dbraw/zinc/71/38/22/994713822.db2.gz IMDWZQZTEJNZIG-NSHDSACASA-N -1 0 341.798 3.832 20 0 EHADRM C[C@@](NCc1ccnc(Cl)c1Cl)(C(=O)[O-])c1ccc(F)cc1 ZINC001593303991 994740637 /nfs/dbraw/zinc/74/06/37/994740637.db2.gz JJTFWMHJWAFPKJ-HNNXBMFYSA-N -1 0 343.185 3.617 20 0 EHADRM C[C@@H](NCc1ncc(C(=O)[O-])s1)c1ccc(F)c2ccccc21 ZINC001593316003 994808380 /nfs/dbraw/zinc/80/83/80/994808380.db2.gz DVMFZSVHXZHGJY-SNVBAGLBSA-N -1 0 330.384 3.984 20 0 EHADRM C[C@@](NCc1oc2ccccc2c1Br)(C(=O)[O-])C1CC1 ZINC001593317012 994815533 /nfs/dbraw/zinc/81/55/33/994815533.db2.gz LOXPENIZUAWGMP-HNNXBMFYSA-N -1 0 338.201 3.538 20 0 EHADRM COc1cccc(NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])c1C ZINC001599675880 994895713 /nfs/dbraw/zinc/89/57/13/994895713.db2.gz BVMDJQBWPYUGCF-GFCCVEGCSA-N -1 0 345.420 3.821 20 0 EHADRM C[C@@H](N[C@H](C)c1ccc(C(F)(F)F)nc1)c1ncc(C(=O)[O-])s1 ZINC001593354825 994997297 /nfs/dbraw/zinc/99/72/97/994997297.db2.gz YIXQCOXPLOKSMX-HTQZYQBOSA-N -1 0 345.346 3.667 20 0 EHADRM COc1cccc(OCc2coc(-c3ccc(C(=O)[O-])cc3)n2)c1 ZINC001599682127 994999066 /nfs/dbraw/zinc/99/90/66/994999066.db2.gz MXTDNPKZGGZAIL-UHFFFAOYSA-N -1 0 325.320 3.627 20 0 EHADRM COc1cccc(OCCSCc2ccccc2CC(=O)[O-])c1 ZINC001599682660 995007313 /nfs/dbraw/zinc/00/73/13/995007313.db2.gz UWHPBDJLHYUPCC-UHFFFAOYSA-N -1 0 332.421 3.635 20 0 EHADRM C[C@H](Nc1ccc(Cl)cc1SCCC(=O)[O-])c1cnccn1 ZINC001593362413 995031855 /nfs/dbraw/zinc/03/18/55/995031855.db2.gz GZZPXFMMUPBRRH-JTQLQIEISA-N -1 0 337.832 3.870 20 0 EHADRM C[C@H](Nc1nc(Cl)nc2ccccc21)c1ncc(C(=O)[O-])s1 ZINC001593374194 995072131 /nfs/dbraw/zinc/07/21/31/995072131.db2.gz PVUOPBBJAMVSIG-ZETCQYMHSA-N -1 0 334.788 3.611 20 0 EHADRM COC(=O)[C@@H](C)c1cccc(NCc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001598693146 995095355 /nfs/dbraw/zinc/09/53/55/995095355.db2.gz SODPKSZPTIWWJO-NSHDSACASA-N -1 0 347.798 3.927 20 0 EHADRM CN(C)c1ccccc1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000109424093 1015933788 /nfs/dbraw/zinc/93/37/88/1015933788.db2.gz CRMQBNCLDDTYHJ-UHFFFAOYSA-N -1 0 345.251 3.860 20 0 EHADRM C[C@H](OC(=O)C1(C(=O)[O-])CC1)c1ccc(SC(F)(F)F)cc1 ZINC001593491171 995460316 /nfs/dbraw/zinc/46/03/16/995460316.db2.gz KTWGKVAMKJWXJT-QMMMGPOBSA-N -1 0 334.315 3.768 20 0 EHADRM C[C@H](OC(=O)[C@H]1CCSc2ccccc21)c1cc(C(=O)[O-])co1 ZINC001593513154 995521155 /nfs/dbraw/zinc/52/11/55/995521155.db2.gz DCNDCSWUEPCBOX-GWCFXTLKSA-N -1 0 332.377 3.862 20 0 EHADRM C[C@H](OC(=O)CCCOc1cccc(F)c1)c1cc(C(=O)[O-])co1 ZINC001593526305 995567704 /nfs/dbraw/zinc/56/77/04/995567704.db2.gz VDKUWHNWCNUUSF-NSHDSACASA-N -1 0 336.315 3.580 20 0 EHADRM C[C@H](OC(=O)c1ccc(OC2CCCC2)nc1)c1cc(C(=O)[O-])co1 ZINC001593584777 995698769 /nfs/dbraw/zinc/69/87/69/995698769.db2.gz ISNYSFPOJFJVOD-NSHDSACASA-N -1 0 345.351 3.612 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC001593602611 995764449 /nfs/dbraw/zinc/76/44/49/995764449.db2.gz IKNKUCDUMFZQPZ-WMLDXEAASA-N -1 0 339.476 3.654 20 0 EHADRM C[C@H](OC(=O)c1sccc1OC(F)F)c1cc(C(=O)[O-])co1 ZINC001593603526 995770816 /nfs/dbraw/zinc/77/08/16/995770816.db2.gz WMTINRIMWLLJPV-LURJTMIESA-N -1 0 332.280 3.559 20 0 EHADRM C[C@@H](OC1CCCCC1)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001593603585 995771252 /nfs/dbraw/zinc/77/12/52/995771252.db2.gz XCOWYSMUVOYPPH-LLVKDONJSA-N -1 0 330.384 3.542 20 0 EHADRM C[C@@H](OC1CCCCC1)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001593603615 995771261 /nfs/dbraw/zinc/77/12/61/995771261.db2.gz XXEYCQBDCVUKLO-SECBINFHSA-N -1 0 343.782 3.854 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1)C1CCC1 ZINC001593635077 995930762 /nfs/dbraw/zinc/93/07/62/995930762.db2.gz LSIVNLYHSXWVBJ-KGLIPLIRSA-N -1 0 347.455 3.606 20 0 EHADRM C[C@@H](Oc1cccc2ccccc21)C(=O)OCc1occc1C(=O)[O-] ZINC001593640660 995947006 /nfs/dbraw/zinc/94/70/06/995947006.db2.gz MRLSSCZYJFBRIC-GFCCVEGCSA-N -1 0 340.331 3.642 20 0 EHADRM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC001593652576 996017670 /nfs/dbraw/zinc/01/76/70/996017670.db2.gz YKOPDCNKGUZDFN-NWDGAFQWSA-N -1 0 347.798 3.934 20 0 EHADRM C[C@@H](SCC(=O)Nc1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001593656506 996026289 /nfs/dbraw/zinc/02/62/89/996026289.db2.gz GVZHVVKWSXWOIQ-LLVKDONJSA-N -1 0 333.384 3.957 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)Nc1ccc2cc[nH]c2c1)C(=O)[O-] ZINC001593672547 996077171 /nfs/dbraw/zinc/07/71/71/996077171.db2.gz VQXRSFHOVPPPBG-NSHDSACASA-N -1 0 340.404 3.985 20 0 EHADRM C[C@@H](Sc1nnc(-c2ccccc2)s1)c1nc(C(=O)[O-])co1 ZINC001593678034 996089476 /nfs/dbraw/zinc/08/94/76/996089476.db2.gz BXALIRHMPIQJDZ-MRVPVSSYSA-N -1 0 333.394 3.745 20 0 EHADRM C[C@@H](Sc1ccnc(C(=O)[O-])n1)c1ccc(OC(F)(F)F)cc1 ZINC001593679357 996099627 /nfs/dbraw/zinc/09/96/27/996099627.db2.gz JCOSVUSQVABKBZ-MRVPVSSYSA-N -1 0 344.314 3.927 20 0 EHADRM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001593692988 996141876 /nfs/dbraw/zinc/14/18/76/996141876.db2.gz IICFZAAASSEQNL-SNVBAGLBSA-N -1 0 334.322 3.888 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)S(=O)(=O)Cc1csc(C(=O)[O-])c1 ZINC001593693851 996146533 /nfs/dbraw/zinc/14/65/33/996146533.db2.gz QWZZMAMIQHPOGT-VIFPVBQESA-N -1 0 344.841 3.776 20 0 EHADRM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1ccc(C(=O)[O-])n1C ZINC001593694493 996150789 /nfs/dbraw/zinc/15/07/89/996150789.db2.gz WOGBNFBCFJCVRE-VXGBXAGGSA-N -1 0 348.830 3.641 20 0 EHADRM C[C@@H](c1ccccc1)N(C(=O)c1ccc(C(=O)[O-])n1C)C1CCCC1 ZINC001593705242 996189187 /nfs/dbraw/zinc/18/91/87/996189187.db2.gz HSAKQHXWZVRWJS-AWEZNQCLSA-N -1 0 340.423 3.869 20 0 EHADRM C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1cccc(C(=O)[O-])c1 ZINC001593707745 996202626 /nfs/dbraw/zinc/20/26/26/996202626.db2.gz ZDFPZTIDFWQLTL-BEFAXECRSA-N -1 0 337.419 3.722 20 0 EHADRM C[C@@H](c1ccco1)N(C)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001593719896 996246546 /nfs/dbraw/zinc/24/65/46/996246546.db2.gz VMDKZUWFFOFYCC-TUKIKUTGSA-N -1 0 328.368 3.693 20 0 EHADRM C[C@H](c1nc(C(=O)[O-])co1)N1CCc2c(cccc2C(F)(F)F)C1 ZINC001593731045 996299122 /nfs/dbraw/zinc/29/91/22/996299122.db2.gz WTDSJGCNGGDWCN-SECBINFHSA-N -1 0 340.301 3.511 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)c1ccc(C(F)F)cc1F)C(=O)[O-] ZINC000655541201 1016021965 /nfs/dbraw/zinc/02/19/65/1016021965.db2.gz YMFDVSWDUSSHBJ-GFCCVEGCSA-N -1 0 331.334 3.773 20 0 EHADRM C[C@@]1(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CCc2ccccc2C1 ZINC001593750154 996394293 /nfs/dbraw/zinc/39/42/93/996394293.db2.gz XCIUYQNGVXIDLM-WIYYLYMNSA-N -1 0 343.467 3.721 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@@H](CC2CCC2)c2ccccc2)C1 ZINC001593767445 996449317 /nfs/dbraw/zinc/44/93/17/996449317.db2.gz BKXFLIABDPSAGR-FXAWDEMLSA-N -1 0 344.455 3.814 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2cc(Cl)cc(Cl)c2F)C1 ZINC001593771379 996464296 /nfs/dbraw/zinc/46/42/96/996464296.db2.gz QAJDMTIYCHVESI-CQSZACIVSA-N -1 0 349.189 3.851 20 0 EHADRM COC(=O)C[C@@H](C)S[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001598837525 996497853 /nfs/dbraw/zinc/49/78/53/996497853.db2.gz FPASTMRLUIIAOW-PRHODGIISA-N -1 0 336.331 3.516 20 0 EHADRM CC1(C)CC(C)(C)c2cc(NC(=O)NC3(CC(=O)[O-])CC3)ccc21 ZINC001593848493 996620088 /nfs/dbraw/zinc/62/00/88/996620088.db2.gz TXGDENFZJVUVKK-UHFFFAOYSA-N -1 0 330.428 3.774 20 0 EHADRM CC1(C)CC(C)(C)c2cc(NC(=O)c3c[nH]c(C(=O)[O-])c3)ccc21 ZINC001593849162 996622965 /nfs/dbraw/zinc/62/29/65/996622965.db2.gz IDTYXISZFLQQLO-UHFFFAOYSA-N -1 0 326.396 3.924 20 0 EHADRM CC1(C)C[C@@H](O)c2cccc(NCc3cc(C(=O)[O-])cs3)c2O1 ZINC001593862035 996658450 /nfs/dbraw/zinc/65/84/50/996658450.db2.gz RCHGUWOBOUVMAA-CQSZACIVSA-N -1 0 333.409 3.653 20 0 EHADRM CC1(C)C[C@]1(C(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC001593864738 996668389 /nfs/dbraw/zinc/66/83/89/996668389.db2.gz FIHMQVUMUJDVHB-LJQANCHMSA-N -1 0 327.355 3.830 20 0 EHADRM CC1(C)CCC(C)(CNC(=O)NCCCCCCC(=O)[O-])CC1 ZINC001593874013 996687126 /nfs/dbraw/zinc/68/71/26/996687126.db2.gz IZVDXFXDJKBADV-UHFFFAOYSA-N -1 0 326.481 3.927 20 0 EHADRM CC1(C)CC[C@@H](CC(=O)Nc2cc(F)cc(Cl)c2C(=O)[O-])OC1 ZINC001593876356 996697473 /nfs/dbraw/zinc/69/74/73/996697473.db2.gz MPAZUHGJLWEYBH-JTQLQIEISA-N -1 0 343.782 3.711 20 0 EHADRM CC1(C)CC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)[C@@H](c2ccccc2)C1 ZINC001593882009 996712309 /nfs/dbraw/zinc/71/23/09/996712309.db2.gz KLNKLLKTHGDLLV-MLHJIOFPSA-N -1 0 343.467 3.966 20 0 EHADRM CC1(C)CC[C@H](NC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])c2ccccc21 ZINC001593882593 996714359 /nfs/dbraw/zinc/71/43/59/996714359.db2.gz ZDERKXIZDDIBNL-XKQJLSEDSA-N -1 0 344.455 3.742 20 0 EHADRM CC1(C)CC[C@H](NC(=O)NCCCCC(=O)[O-])[C@H](c2ccccc2)C1 ZINC001593882541 996714378 /nfs/dbraw/zinc/71/43/78/996714378.db2.gz XJORTISBWPJPNG-IRXDYDNUSA-N -1 0 346.471 3.903 20 0 EHADRM CC1(C)CCC[C@](NC(=O)c2cc(F)cc3ccoc32)(C(=O)[O-])C1 ZINC001593891276 996735438 /nfs/dbraw/zinc/73/54/38/996735438.db2.gz AHLROPMYSNUJCV-GOSISDBHSA-N -1 0 333.359 3.725 20 0 EHADRM CC1(C)CCC[C@H]1[C@@H]1CCN(C(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC001593896956 996756471 /nfs/dbraw/zinc/75/64/71/996756471.db2.gz GLCWRIQNGQZIGJ-SJORKVTESA-N -1 0 329.440 3.602 20 0 EHADRM CC1(C)CCCC[C@@H]1C(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001593905041 996784868 /nfs/dbraw/zinc/78/48/68/996784868.db2.gz MZKVQXCHTWQIAQ-CVEARBPZSA-N -1 0 343.423 3.761 20 0 EHADRM COc1ccc(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)c(OC(C)C)c1 ZINC001599485943 996849373 /nfs/dbraw/zinc/84/93/73/996849373.db2.gz RSNLJJMFXUSSPO-UHFFFAOYSA-N -1 0 343.379 3.741 20 0 EHADRM COc1ccc(C(=O)Nc2cc(C(=O)[O-])cc(Cl)c2Cl)o1 ZINC001599486112 996853099 /nfs/dbraw/zinc/85/30/99/996853099.db2.gz SRKXOTNUTOAJMX-UHFFFAOYSA-N -1 0 330.123 3.546 20 0 EHADRM CC1(C)CN(C(=O)NCC2(CC(=O)[O-])CCCC2)c2cc(F)ccc21 ZINC001593929159 996887235 /nfs/dbraw/zinc/88/72/35/996887235.db2.gz LTKWCKHSVBVMEX-UHFFFAOYSA-N -1 0 348.418 3.668 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)[C@@H](C)C(C)(C)C)c1F ZINC001599489792 996917492 /nfs/dbraw/zinc/91/74/92/996917492.db2.gz QFAAFASBIIBDGY-VHSXEESVSA-N -1 0 325.380 3.789 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cccc(C(C)(C)C)c2)c1 ZINC001599490054 996922981 /nfs/dbraw/zinc/92/29/81/996922981.db2.gz JUEPNULZRAYWJT-UHFFFAOYSA-N -1 0 327.380 3.943 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cc3cc(C)ccc3o2)c1F ZINC001599490337 996927389 /nfs/dbraw/zinc/92/73/89/996927389.db2.gz YGVHQPMQJANPLC-UHFFFAOYSA-N -1 0 343.310 3.839 20 0 EHADRM COCc1cc(NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)cc(C(=O)[O-])c1 ZINC001599283841 996939889 /nfs/dbraw/zinc/93/98/89/996939889.db2.gz GUHLHTHNHAMIMM-FVQHAEBGSA-N -1 0 331.412 3.686 20 0 EHADRM COCc1cc(NC(=O)/C=C\CCc2ccccc2)cc(C(=O)[O-])c1 ZINC001599284362 996949629 /nfs/dbraw/zinc/94/96/29/996949629.db2.gz QZSNTCXRKHMTMC-POHAHGRESA-N -1 0 339.391 3.659 20 0 EHADRM COCc1cc(NC(=O)N(C)c2cc(C)ccc2C)cc(C(=O)[O-])c1 ZINC001599284616 996954474 /nfs/dbraw/zinc/95/44/74/996954474.db2.gz GDFMCRWACPXIAI-UHFFFAOYSA-N -1 0 342.395 3.816 20 0 EHADRM COCc1cc(NC(=O)NCc2ccccc2Cl)cc(C(=O)[O-])c1 ZINC001599286272 996983570 /nfs/dbraw/zinc/98/35/70/996983570.db2.gz PPKNAUNOVDAXEI-UHFFFAOYSA-N -1 0 348.786 3.506 20 0 EHADRM CC1(C)CN(Cn2ncc3cc(C(=O)[O-])ccc32)[C@H]1c1cccs1 ZINC001593945384 996991640 /nfs/dbraw/zinc/99/16/40/996991640.db2.gz XUVKZVUIUMQJBX-INIZCTEOSA-N -1 0 341.436 3.837 20 0 EHADRM CC1(C)CO[C@@H](CCC(=O)N(c2ccccc2C(=O)[O-])C2CCC2)C1 ZINC001593952655 997023401 /nfs/dbraw/zinc/02/34/01/997023401.db2.gz GOPAOFDLLBDQMW-HNNXBMFYSA-N -1 0 345.439 3.866 20 0 EHADRM COCc1cc(NC(=O)c2ccc3c(c2)CCC=C3)cc(C(=O)[O-])c1 ZINC001599288900 997028044 /nfs/dbraw/zinc/02/80/44/997028044.db2.gz WXPYTUKNNSRHGQ-UHFFFAOYSA-N -1 0 337.375 3.743 20 0 EHADRM COc1cc(C)c(C)cc1NCc1cc(C(=O)[O-])c2n1CCCC2 ZINC001599390806 997031564 /nfs/dbraw/zinc/03/15/64/997031564.db2.gz PRCJWVBMDOTYMT-UHFFFAOYSA-N -1 0 328.412 3.760 20 0 EHADRM COc1cc(C)c([C@H](C)OC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1C ZINC001599390893 997032651 /nfs/dbraw/zinc/03/26/51/997032651.db2.gz SWBWWNVAVSRLIM-JAGHRAMZSA-N -1 0 346.423 3.951 20 0 EHADRM COCc1cc(NCc2cc(Cl)ccc2OC)cc(C(=O)[O-])c1 ZINC001599289286 997035720 /nfs/dbraw/zinc/03/57/20/997035720.db2.gz ALPOUJTYBBLTDQ-UHFFFAOYSA-N -1 0 335.787 3.805 20 0 EHADRM COCc1cc(NCCOc2ccccc2Cl)cc(C(=O)[O-])c1 ZINC001599289916 997046636 /nfs/dbraw/zinc/04/66/36/997046636.db2.gz QSIFABGXNSGFRW-UHFFFAOYSA-N -1 0 335.787 3.676 20 0 EHADRM COC1(CC(=O)O[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CCC1 ZINC001599087663 997128752 /nfs/dbraw/zinc/12/87/52/997128752.db2.gz STKFJPWLXNXOBX-ZDUSSCGKSA-N -1 0 347.194 3.622 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC[C@H]1CCCC2(CCC2)O1 ZINC001599398534 997173764 /nfs/dbraw/zinc/17/37/64/997173764.db2.gz GQZCWRBFADEBKO-DDJMYBDESA-N -1 0 332.396 3.664 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC001599399777 997193112 /nfs/dbraw/zinc/19/31/12/997193112.db2.gz ORUPJXVNIOCJSL-UEDYQVLESA-N -1 0 330.380 3.525 20 0 EHADRM COc1ccc(C(C)C)cc1CN[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001599507404 997235048 /nfs/dbraw/zinc/23/50/48/997235048.db2.gz ZKRJBYLQYYDAER-NSHDSACASA-N -1 0 334.441 3.824 20 0 EHADRM COCc1nc(NC(=O)C[C@@H]2CCCCC2(C)C)sc1C(=O)[O-] ZINC001599304290 997287708 /nfs/dbraw/zinc/28/77/08/997287708.db2.gz JRVTVRQADYZYCC-JTQLQIEISA-N -1 0 340.445 3.533 20 0 EHADRM COC1CCC(CCNc2ncc(C(=O)[O-])cc2C(F)(F)F)CC1 ZINC001599101415 997391390 /nfs/dbraw/zinc/39/13/90/997391390.db2.gz RIZQCXDJCOZRJD-UHFFFAOYSA-N -1 0 346.349 3.806 20 0 EHADRM COc1cc(CNC(=O)N2CCCCC[C@H]2C(C)C)ccc1C(=O)[O-] ZINC001599411424 997428391 /nfs/dbraw/zinc/42/83/91/997428391.db2.gz NKAJFRKVBJJFPA-INIZCTEOSA-N -1 0 348.443 3.504 20 0 EHADRM COc1ccc(C(F)(F)c2nc(-c3ccc(C(=O)[O-])cc3)no2)cc1 ZINC001599521610 997491116 /nfs/dbraw/zinc/49/11/16/997491116.db2.gz XMWAOZXQVDXWJV-UHFFFAOYSA-N -1 0 346.289 3.584 20 0 EHADRM CC1(CNC(=O)NC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)CCCC1 ZINC001594019933 997522597 /nfs/dbraw/zinc/52/25/97/997522597.db2.gz MZIAHIYDSQITEY-INIZCTEOSA-N -1 0 344.455 3.684 20 0 EHADRM CON(Cc1ccccc1)C(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001599318934 997547254 /nfs/dbraw/zinc/54/72/54/997547254.db2.gz NOBCWAQXUYZCJK-UHFFFAOYSA-N -1 0 334.397 3.659 20 0 EHADRM COc1cc(CNc2ccc(C(=O)[O-])cc2C)ccc1OC(F)F ZINC001599418737 997556823 /nfs/dbraw/zinc/55/68/23/997556823.db2.gz PMIIQZGTRMKTPZ-UHFFFAOYSA-N -1 0 337.322 3.915 20 0 EHADRM COc1cc(Cl)cc(C(=O)N[C@H](C(=O)[O-])c2ccc(C)c(C)c2)c1 ZINC001599419841 997574325 /nfs/dbraw/zinc/57/43/25/997574325.db2.gz OMMUIMVMRJWWCM-INIZCTEOSA-N -1 0 347.798 3.521 20 0 EHADRM CO[C@@H]1CCC[C@@H](CC(=O)OCc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC001599111850 997583506 /nfs/dbraw/zinc/58/35/06/997583506.db2.gz GQXPUFOCFJCDSE-DGCLKSJQSA-N -1 0 340.803 3.677 20 0 EHADRM COCC[C@@H]1CCN([C@H](C(=O)[O-])c2ccccc2)c2ccccc21 ZINC001599220796 997664036 /nfs/dbraw/zinc/66/40/36/997664036.db2.gz OWOQICFFFBIRBB-KXBFYZLASA-N -1 0 325.408 3.843 20 0 EHADRM COc1ccc(C)cc1[C@H](C)NC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001599535720 997741056 /nfs/dbraw/zinc/74/10/56/997741056.db2.gz BNALACYOBMGYCJ-ZDUSSCGKSA-N -1 0 342.395 3.513 20 0 EHADRM COc1c(C)cc(Cl)cc1NC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001599330712 997744039 /nfs/dbraw/zinc/74/40/39/997744039.db2.gz ASDDMYRBGPNJIM-ARJAWSKDSA-N -1 0 335.743 3.600 20 0 EHADRM C[C@]1(NC(=O)c2cnc(Cl)c3ccccc23)CCCC[C@@H]1C(=O)[O-] ZINC001594055859 997791413 /nfs/dbraw/zinc/79/14/13/997791413.db2.gz KPUMDFCSLMYTKT-KDOFPFPSSA-N -1 0 346.814 3.652 20 0 EHADRM COc1cc(NC(=O)[C@@H](C)SCc2ccccc2)ccc1C(=O)[O-] ZINC001599433795 997805984 /nfs/dbraw/zinc/80/59/84/997805984.db2.gz YYQZQYPUSHATRJ-GFCCVEGCSA-N -1 0 345.420 3.654 20 0 EHADRM COc1c(C)cnc(CN2CCCCc3cc(C(=O)[O-])ccc32)c1C ZINC001599334340 997806949 /nfs/dbraw/zinc/80/69/49/997806949.db2.gz UNDARQLLPTYFDS-UHFFFAOYSA-N -1 0 340.423 3.748 20 0 EHADRM C[C@]1(NC(=O)c2cc(Cl)c(F)cc2Cl)CCCC[C@H]1C(=O)[O-] ZINC001594057149 997808014 /nfs/dbraw/zinc/80/80/14/997808014.db2.gz XCAQBZXYMRHGSL-VFZGTOFNSA-N -1 0 348.201 3.896 20 0 EHADRM COc1ccc(/C=C(\C)C(=O)Nc2cc(C)c(C(=O)[O-])s2)cc1F ZINC001599540708 997837127 /nfs/dbraw/zinc/83/71/27/997837127.db2.gz BBVMMQPZTSQTNW-UXBLZVDNSA-N -1 0 349.383 3.944 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1c(F)cc(C)cc1F ZINC001599541646 997854073 /nfs/dbraw/zinc/85/40/73/997854073.db2.gz DRAADTKUCBIRAJ-GQCTYLIASA-N -1 0 348.301 3.599 20 0 EHADRM COc1c(NC(=O)N(C)C[C@@H](C)c2ccccc2)cccc1C(=O)[O-] ZINC001599338784 997885878 /nfs/dbraw/zinc/88/58/78/997885878.db2.gz VAAMCVGTOZVUSH-CYBMUJFWSA-N -1 0 342.395 3.661 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1cncc2ccccc21 ZINC001599545349 997913454 /nfs/dbraw/zinc/91/34/54/997913454.db2.gz MJPJZEZJEIJQAG-VQHVLOKHSA-N -1 0 349.342 3.560 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC[C@@H]1CCC2(CCC2)CO1 ZINC001599545417 997913914 /nfs/dbraw/zinc/91/39/14/997913914.db2.gz FAWKQVLUCNVUCN-DRDHIDPGSA-N -1 0 332.396 3.521 20 0 EHADRM COc1cc(NC(=O)Nc2ccc(C(=O)[O-])cc2F)c(C)cc1C ZINC001599441487 997936165 /nfs/dbraw/zinc/93/61/65/997936165.db2.gz XEAMFZCDIVLBPI-UHFFFAOYSA-N -1 0 332.331 3.793 20 0 EHADRM COc1cc(NC(=O)c2cccc3c2CCCC3)ccc1C(=O)[O-] ZINC001599441747 997940555 /nfs/dbraw/zinc/94/05/55/997940555.db2.gz DBMBPCHMZYIPIW-UHFFFAOYSA-N -1 0 325.364 3.525 20 0 EHADRM COc1cc(NCc2cc(C(=O)[O-])c(C)[nH]2)ccc1C(F)(F)F ZINC001599443397 997967057 /nfs/dbraw/zinc/96/70/57/997967057.db2.gz DQNNTYXQMKWNEY-UHFFFAOYSA-N -1 0 328.290 3.661 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN1C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001594079769 997973992 /nfs/dbraw/zinc/97/39/92/997973992.db2.gz RMFTZPPFNJGDEF-QWUACUGRSA-N -1 0 325.364 3.529 20 0 EHADRM COc1cc(NCc2cc(C(=O)[O-])oc2C)cc(OC)c1Cl ZINC001599444139 997979433 /nfs/dbraw/zinc/97/94/33/997979433.db2.gz XRQJQQYWIPSLHQ-UHFFFAOYSA-N -1 0 325.748 3.569 20 0 EHADRM COc1cc(NCc2cc(C)c(C(=O)[O-])o2)ccc1C(F)(F)F ZINC001599444193 997980552 /nfs/dbraw/zinc/98/05/52/997980552.db2.gz ZOSWHOYOKBPVGL-UHFFFAOYSA-N -1 0 329.274 3.926 20 0 EHADRM COc1cc(-c2nc3ccc(C(=O)[O-])cc3n2C)ccc1OC(C)C ZINC001599347116 998027359 /nfs/dbraw/zinc/02/73/59/998027359.db2.gz SIJMPRUYVQAJPK-UHFFFAOYSA-N -1 0 340.379 3.734 20 0 EHADRM COc1ccc(CC[C@@H](C)Nc2ccc(C(=O)[O-])cc2OC)cc1O ZINC001599553582 998051967 /nfs/dbraw/zinc/05/19/67/998051967.db2.gz LEKMPFVLKLZBFS-GFCCVEGCSA-N -1 0 345.395 3.541 20 0 EHADRM COc1cc(OC)c(N[C@@H]2CC[C@H](CC(=O)[O-])[C@@H]2C)cc1Cl ZINC001599448723 998054799 /nfs/dbraw/zinc/05/47/99/998054799.db2.gz IEJUNJXWIWASQU-HOSYDEDBSA-N -1 0 327.808 3.659 20 0 EHADRM COC(=O)c1cc(NCc2cccc(C(=O)[O-])c2)cc(Cl)c1F ZINC001598948013 998092839 /nfs/dbraw/zinc/09/28/39/998092839.db2.gz ISKWJQOUYLJKKG-UHFFFAOYSA-N -1 0 337.734 3.576 20 0 EHADRM CC1=C(C(=O)[O-])C[C@@H](CN(Cc2ccsc2)c2ccccc2)O1 ZINC001594099350 998095967 /nfs/dbraw/zinc/09/59/67/998095967.db2.gz CKVLRFWBIPCMJC-INIZCTEOSA-N -1 0 329.421 3.902 20 0 EHADRM COC(=O)c1cc(OC(=O)[C@H](C)CC2CCCCC2)cc(C(=O)[O-])c1 ZINC001598949990 998131495 /nfs/dbraw/zinc/13/14/95/998131495.db2.gz IYWFBERFNNPBHV-GFCCVEGCSA-N -1 0 348.395 3.683 20 0 EHADRM CC1=C(C)C[C@H](C(=O)N2CCC(c3ncc(C(=O)[O-])s3)CC2)CC1 ZINC001594108257 998176567 /nfs/dbraw/zinc/17/65/67/998176567.db2.gz FTHMLAXWPYMDNN-CQSZACIVSA-N -1 0 348.468 3.684 20 0 EHADRM CC1=C(C)C[C@@H](C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])CC1 ZINC001594108335 998177646 /nfs/dbraw/zinc/17/76/46/998177646.db2.gz INENFNAAAJQNBF-WMZOPIPTSA-N -1 0 329.440 3.872 20 0 EHADRM COc1ccc(CN2CCc3cc(C(=O)[O-])ccc3C2)cc1Cl ZINC001599560836 998191068 /nfs/dbraw/zinc/19/10/68/998191068.db2.gz VMUNHLTWEIEMPA-UHFFFAOYSA-N -1 0 331.799 3.605 20 0 EHADRM COc1cc(OCc2cc(-c3ccccc3)no2)ccc1C(=O)[O-] ZINC001599456832 998202285 /nfs/dbraw/zinc/20/22/85/998202285.db2.gz JYRUXVMXQZUWTI-UHFFFAOYSA-N -1 0 325.320 3.627 20 0 EHADRM COCCOCc1cccc(N[C@@H](C)c2cc(C(=O)[O-])cs2)c1 ZINC001599252765 998261120 /nfs/dbraw/zinc/26/11/20/998261120.db2.gz NXECXYNAIIMFPE-LBPRGKRZSA-N -1 0 335.425 3.782 20 0 EHADRM COc1cc(C(=O)[O-])ccc1CCNC(=O)/C=C\C1CCCCCC1 ZINC001599363863 998305138 /nfs/dbraw/zinc/30/51/38/998305138.db2.gz ZDFHEGCFYVLPLT-FLIBITNWSA-N -1 0 345.439 3.579 20 0 EHADRM COc1cc2ccccc2cc1C(=O)Nc1sccc1C(=O)[O-] ZINC001599466468 998369899 /nfs/dbraw/zinc/36/98/99/998369899.db2.gz DZHCNPWPMNBNGN-UHFFFAOYSA-N -1 0 327.361 3.860 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC001599369824 998392431 /nfs/dbraw/zinc/39/24/31/998392431.db2.gz CMGYZZLCFGGLQY-XUJVJEKNSA-N -1 0 332.400 3.578 20 0 EHADRM C[C@@H]1[C@H](C(=O)N(CCC(=O)[O-])c2cccc(F)c2)[C@H]1c1ccccc1 ZINC001594138025 998398552 /nfs/dbraw/zinc/39/85/52/998398552.db2.gz ZTJVZBZBPGTFPX-BKTGTZMESA-N -1 0 341.382 3.683 20 0 EHADRM COc1ccc(CNc2ccc(C(=O)[O-])c(C)c2)c(Cl)c1OC ZINC001599573897 998409441 /nfs/dbraw/zinc/40/94/41/998409441.db2.gz PGWFIXWPEKIESI-UHFFFAOYSA-N -1 0 335.787 3.976 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N(C)[C@H](C)c1ccccc1F ZINC001599371855 998422820 /nfs/dbraw/zinc/42/28/20/998422820.db2.gz YVNSBDDWKJMSCM-LLVKDONJSA-N -1 0 346.358 3.757 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N[C@H](C)c1cc(C)sc1C ZINC001599372408 998431494 /nfs/dbraw/zinc/43/14/94/998431494.db2.gz HRJKUGWXMCOVMW-SNVBAGLBSA-N -1 0 348.424 3.954 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)NC1(C2CCCCC2)CC1 ZINC001599372974 998440533 /nfs/dbraw/zinc/44/05/33/998440533.db2.gz SYLCFVKHYNVBIB-UHFFFAOYSA-N -1 0 332.400 3.628 20 0 EHADRM COc1ccc(CSC[C@@H]2CC(C(=O)[O-])=C(C)O2)cc1Cl ZINC001599576653 998455307 /nfs/dbraw/zinc/45/53/07/998455307.db2.gz QXSRSXLJEQZAEB-NSHDSACASA-N -1 0 328.817 3.729 20 0 EHADRM COc1ccc(Cl)c(COc2cnc(Cl)cc2C(=O)[O-])c1 ZINC001599577169 998463287 /nfs/dbraw/zinc/46/32/87/998463287.db2.gz VUFTYQPXQOBQBJ-UHFFFAOYSA-N -1 0 328.151 3.674 20 0 EHADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C1(c2ccccc2)CCCCCC1 ZINC001594145604 998477590 /nfs/dbraw/zinc/47/75/90/998477590.db2.gz UCQLTPVIKQNRSP-RDJZCZTQSA-N -1 0 329.440 3.600 20 0 EHADRM COC(=O)c1ccc([C@@H](C)S[C@H](Cc2ccc(C)cc2)C(=O)[O-])o1 ZINC001598969882 998494356 /nfs/dbraw/zinc/49/43/56/998494356.db2.gz QHESFBIRYLBCIK-MLGOLLRUSA-N -1 0 348.420 3.865 20 0 EHADRM COc1ccc(Cn2ccnc2S[C@H](C(=O)[O-])C(C)(C)C)cc1 ZINC001599579570 998504243 /nfs/dbraw/zinc/50/42/43/998504243.db2.gz COUPUVIOJSZWQZ-CQSZACIVSA-N -1 0 334.441 3.531 20 0 EHADRM COc1ccc(Cl)cc1C(C)(C)NCc1cc(C(=O)[O-])c(C)o1 ZINC001599579564 998504930 /nfs/dbraw/zinc/50/49/30/998504930.db2.gz PFVJFWVCGSBNEQ-UHFFFAOYSA-N -1 0 337.803 3.973 20 0 EHADRM CCc1cccc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000045946808 1016223033 /nfs/dbraw/zinc/22/30/33/1016223033.db2.gz CLNLXYIZJVCZRL-UHFFFAOYSA-N -1 0 347.436 3.673 20 0 EHADRM COC[C@@H](CNc1nc(C(=O)[O-])c(C)s1)c1ccc(Cl)cc1 ZINC001599164810 998522754 /nfs/dbraw/zinc/52/27/54/998522754.db2.gz CEKCCBNAMIPASH-LLVKDONJSA-N -1 0 340.832 3.645 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)Nc1ccccc1-c1cccs1 ZINC001594156916 998573029 /nfs/dbraw/zinc/57/30/29/998573029.db2.gz OZKFQLNXAJBHND-NEPJUHHUSA-N -1 0 330.409 3.742 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)[C@@H]1CCCC[C@H]1c1cccc(Cl)c1 ZINC001594157782 998579500 /nfs/dbraw/zinc/57/95/00/998579500.db2.gz XPPKFPPCFQAUBG-ISWURRPUSA-N -1 0 349.858 3.935 20 0 EHADRM COC(=O)c1ccc(OCc2ccc(C)c(C(=O)[O-])c2)cc1Cl ZINC001598985610 998693850 /nfs/dbraw/zinc/69/38/50/998693850.db2.gz FCHKPGDXYCHLGF-UHFFFAOYSA-N -1 0 334.755 3.712 20 0 EHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@H]1Nc1cccc(OCC(F)(F)F)c1 ZINC001594183802 998711199 /nfs/dbraw/zinc/71/11/99/998711199.db2.gz AIPWJCUYKATISW-JTNHKYCSSA-N -1 0 331.334 3.929 20 0 EHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@H]1Nc1ccc(SC(F)(F)F)nc1 ZINC001594185112 998717522 /nfs/dbraw/zinc/71/75/22/998717522.db2.gz MYTDNEPEHGAQNH-FXPVBKGRSA-N -1 0 334.363 3.995 20 0 EHADRM CC(C)[C@@H]1CCc2[n-]n(-c3cc(C(F)(F)F)ccn3)c(=O)c2C1 ZINC000634608903 1016248315 /nfs/dbraw/zinc/24/83/15/1016248315.db2.gz PRMKFZMYJAXJGK-PWSUYJOCSA-N -1 0 325.334 3.875 20 0 EHADRM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001594217286 998837299 /nfs/dbraw/zinc/83/72/99/998837299.db2.gz QNDOEUVTIWHBLK-KOLCDFICSA-N -1 0 340.370 3.999 20 0 EHADRM COC(=O)c1csc(SCc2ccc(C(=O)[O-])c(Cl)c2)n1 ZINC001599015659 998936021 /nfs/dbraw/zinc/93/60/21/998936021.db2.gz YCLWVHCAEWTTNI-UHFFFAOYSA-N -1 0 343.813 3.574 20 0 EHADRM CC[C@@H](C)Sc1ccc([N-]S(=O)(=O)c2c[nH]c(C)n2)c(C)c1 ZINC000340093165 1016266082 /nfs/dbraw/zinc/26/60/82/1016266082.db2.gz UYJXVLGFAGNBNS-LLVKDONJSA-N -1 0 339.486 3.718 20 0 EHADRM C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)C[C@@H](c2ccccc2)C1 ZINC001594253999 998977921 /nfs/dbraw/zinc/97/79/21/998977921.db2.gz VEXKEJGPWLKUCI-DZRGKWQISA-N -1 0 343.467 3.966 20 0 EHADRM CO[C@H](C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1Cl)C1CCCC1 ZINC001599026731 999021507 /nfs/dbraw/zinc/02/15/07/999021507.db2.gz LHHZTECWYZYYKY-ZDUSSCGKSA-N -1 0 346.210 3.835 20 0 EHADRM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccccc1C(=O)[O-] ZINC001594266411 999033013 /nfs/dbraw/zinc/03/30/13/999033013.db2.gz OEJVJFVRSQRQTB-TZMCWYRMSA-N -1 0 327.355 3.542 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CNC(=O)NCCCCC2(C(=O)[O-])CCC2)o1 ZINC001594279822 999085610 /nfs/dbraw/zinc/08/56/10/999085610.db2.gz LKVFXMGGTHGCSN-UKRRQHHQSA-N -1 0 348.443 3.627 20 0 EHADRM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001594285883 999106745 /nfs/dbraw/zinc/10/67/45/999106745.db2.gz PYQUFKBTIJVVOT-STLJJKNPSA-N -1 0 341.451 3.603 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)Nc2cc(-c3ccncc3)sc2C(=O)[O-])C1 ZINC001594294753 999133420 /nfs/dbraw/zinc/13/34/20/999133420.db2.gz ACPILMPTANSCIA-PWSUYJOCSA-N -1 0 330.409 3.883 20 0 EHADRM C[C@H]1CC[C@H](C(=O)Nc2cc(-c3ccncc3)sc2C(=O)[O-])C1 ZINC001594294752 999133426 /nfs/dbraw/zinc/13/34/26/999133426.db2.gz ACPILMPTANSCIA-JQWIXIFHSA-N -1 0 330.409 3.883 20 0 EHADRM C[C@@H]1CC[C@](C)(/C=C/C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])C1(C)C ZINC001594295786 999138958 /nfs/dbraw/zinc/13/89/58/999138958.db2.gz HAAFYURYNPVNFK-SQLCXHCZSA-N -1 0 343.467 3.817 20 0 EHADRM C[C@@H]1CC[C@@H](CC(=O)N[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)C1 ZINC001594301727 999165097 /nfs/dbraw/zinc/16/50/97/999165097.db2.gz GHOUQEUNZFLJQS-HFAKWTLXSA-N -1 0 343.345 3.774 20 0 EHADRM CO[C@@H](CNc1cc(C(=O)[O-])cc2cccnc21)C1CCCCC1 ZINC001599056815 999235801 /nfs/dbraw/zinc/23/58/01/999235801.db2.gz ZYQVWAHJLYBCQW-KRWDZBQOSA-N -1 0 328.412 3.940 20 0 EHADRM C[C@H]1CC[C@@](NCc2noc3c2CCCC3)(C(=O)[O-])c2ccccc21 ZINC001594321885 999238835 /nfs/dbraw/zinc/23/88/35/999238835.db2.gz XLSUTTCHKJVUQF-RBZFPXEDSA-N -1 0 340.423 3.520 20 0 EHADRM CC(C)[C@@]1(C)C[C@H]1C(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21 ZINC001594323742 999247658 /nfs/dbraw/zinc/24/76/58/999247658.db2.gz UNLLKBMJINPWBN-HCAQKZJRSA-N -1 0 329.440 3.662 20 0 EHADRM C[C@H]1CCC[C@H](C2CN(C(=O)Nc3cc(C(=O)[O-])ccc3F)C2)C1 ZINC001594344413 999302726 /nfs/dbraw/zinc/30/27/26/999302726.db2.gz CXFLJXKRHKDBDS-RYUDHWBXSA-N -1 0 334.391 3.814 20 0 EHADRM C[C@H]1CCCN(C(=O)Nc2cc(-c3ccncc3)sc2C(=O)[O-])C1 ZINC001594377782 999423930 /nfs/dbraw/zinc/42/39/30/999423930.db2.gz HDSJPYNBPCEKNC-NSHDSACASA-N -1 0 345.424 3.772 20 0 EHADRM C[C@H]1CCN(C(=O)CCCc2csc3ccccc23)[C@@H](C(=O)[O-])C1 ZINC001594395847 999491385 /nfs/dbraw/zinc/49/13/85/999491385.db2.gz GRQXOHXNBGIOGZ-XJKSGUPXSA-N -1 0 345.464 3.936 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2)[C@H](c2ccco2)C1 ZINC001594404049 999513391 /nfs/dbraw/zinc/51/33/91/999513391.db2.gz XTVJUWKIAVGCEO-DOMZBBRYSA-N -1 0 328.368 3.983 20 0 EHADRM C[C@@H]1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c2ccccc2S1 ZINC001594407297 999527107 /nfs/dbraw/zinc/52/71/07/999527107.db2.gz RFCIJVHVERZQEJ-HZSPNIEDSA-N -1 0 333.453 3.795 20 0 EHADRM C[C@H]1CCc2ccccc2N1C(=O)CSc1ccc(C(=O)[O-])cc1 ZINC001594444816 999635568 /nfs/dbraw/zinc/63/55/68/999635568.db2.gz AXURBQDPOKQOEK-ZDUSSCGKSA-N -1 0 341.432 3.845 20 0 EHADRM C[C@H]1CCc2c(sc3ncnc(N[C@@H]4CCC[C@H]4CC(=O)[O-])c32)C1 ZINC001594445658 999638283 /nfs/dbraw/zinc/63/82/83/999638283.db2.gz OOPJWTMDMZRMEX-GMXVVIOVSA-N -1 0 345.468 3.871 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)N[C@]3(C)CCCC[C@@H]3C(=O)[O-])cc2C1 ZINC001594450553 999647890 /nfs/dbraw/zinc/64/78/90/999647890.db2.gz HUVNUWJLEIRROQ-AEDCBLDQSA-N -1 0 335.469 3.636 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)NC[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000655573929 1016367314 /nfs/dbraw/zinc/36/73/14/1016367314.db2.gz DGSRYCXWINAJNU-OAHLLOKOSA-N -1 0 331.437 3.810 20 0 EHADRM C[C@H](CC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1cccc(F)c1 ZINC000655579806 1016457265 /nfs/dbraw/zinc/45/72/65/1016457265.db2.gz YXRZTNQBLNJGTI-AVRGHOLYSA-N -1 0 335.419 3.571 20 0 EHADRM C[C@@H](NC(=O)N=c1[n-]nc(-c2ccco2)s1)c1ccc(Cl)cc1 ZINC000510241002 1016606778 /nfs/dbraw/zinc/60/67/78/1016606778.db2.gz LOGQHKLWLGKNCT-SECBINFHSA-N -1 0 348.815 3.756 20 0 EHADRM Cc1ccc2c(c1)[C@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)CCC2 ZINC000659404779 1016661566 /nfs/dbraw/zinc/66/15/66/1016661566.db2.gz PBVGEWBZENIOBN-GOSISDBHSA-N -1 0 344.455 3.659 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccc2[nH]c(C(F)F)nc2c1 ZINC000340215935 1016712615 /nfs/dbraw/zinc/71/26/15/1016712615.db2.gz MWCMOHYZGKMAHG-UHFFFAOYSA-N -1 0 343.380 3.671 20 0 EHADRM C[C@@H](CNC(=O)c1cc(F)c([O-])c(F)c1)Oc1ccccc1Cl ZINC000180080708 1016886297 /nfs/dbraw/zinc/88/62/97/1016886297.db2.gz HPZLNNUMSADOEI-VIFPVBQESA-N -1 0 341.741 3.521 20 0 EHADRM Cc1cnn(-c2ccc(C)cc2NC(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000180181468 1016890779 /nfs/dbraw/zinc/89/07/79/1016890779.db2.gz FRAZOUYVGTUYNQ-UHFFFAOYSA-N -1 0 343.333 3.725 20 0 EHADRM Cc1ccc(C)c(OC2CCN(C(=O)c3ccc(O)cc3F)CC2)c1 ZINC000181173876 1016910030 /nfs/dbraw/zinc/91/00/30/1016910030.db2.gz DUQQBUAPVPDFAP-UHFFFAOYSA-N -1 0 343.398 3.832 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655583868 1016964136 /nfs/dbraw/zinc/96/41/36/1016964136.db2.gz RLVLXUYCSIWEGR-DDTOSNHZSA-N -1 0 347.386 3.746 20 0 EHADRM CC1=CC[C@@](C)(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)CC1 ZINC000659767285 1016993540 /nfs/dbraw/zinc/99/35/40/1016993540.db2.gz ZCZMFLGCQVHZEG-YLJYHZDGSA-N -1 0 329.440 3.715 20 0 EHADRM CC1=CC[C@@](C)(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)CC1 ZINC000659767279 1016993662 /nfs/dbraw/zinc/99/36/62/1016993662.db2.gz ZCZMFLGCQVHZEG-FXAWDEMLSA-N -1 0 329.440 3.715 20 0 EHADRM C[C@H](NC(=O)N(C)CCCC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000414593991 1017001880 /nfs/dbraw/zinc/00/18/80/1017001880.db2.gz FJXNFKVDWRRFQB-VIFPVBQESA-N -1 0 333.215 3.561 20 0 EHADRM Cc1c(NCC(C)(C)C)cccc1C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000659781784 1017013349 /nfs/dbraw/zinc/01/33/49/1017013349.db2.gz KNFKTOLMXGEYGI-UHFFFAOYSA-N -1 0 346.471 3.780 20 0 EHADRM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)NCCCCCC(=O)[O-])cc1 ZINC000414617074 1017060353 /nfs/dbraw/zinc/06/03/53/1017060353.db2.gz XWSNPHXIJLYLFG-QZTJIDSGSA-N -1 0 346.471 3.918 20 0 EHADRM C[C@@H]1CCN(C(=O)N=c2ccc(-c3ccccc3)n[n-]2)CC12CCC2 ZINC000536698292 1032157109 /nfs/dbraw/zinc/15/71/09/1032157109.db2.gz JCOOEDZDXSYVBB-OAHLLOKOSA-N -1 0 336.439 3.610 20 0 EHADRM CSc1ccc(O)c(-c2nc(-c3ccc4c(c3)CCO4)no2)c1 ZINC000904688756 1032181613 /nfs/dbraw/zinc/18/16/13/1032181613.db2.gz YPQXLCGHYRLCKP-UHFFFAOYSA-N -1 0 326.377 3.766 20 0 EHADRM CN(Cc1ccc(Cl)cc1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000183309160 1032189543 /nfs/dbraw/zinc/18/95/43/1032189543.db2.gz RRSOHLOWQSHMGV-UHFFFAOYSA-N -1 0 329.705 3.735 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](NC(=O)N(C)CCCC(=O)[O-])C(C)C ZINC000414621911 1017071627 /nfs/dbraw/zinc/07/16/27/1017071627.db2.gz VZTKLLNUILDSDU-KRWDZBQOSA-N -1 0 346.427 3.945 20 0 EHADRM Cc1cc(C)cc(C2=CCN(C(=O)NCCCCCC(=O)[O-])CC2)c1 ZINC000414621931 1017072317 /nfs/dbraw/zinc/07/23/17/1017072317.db2.gz FWBBQTHLZPRLNT-UHFFFAOYSA-N -1 0 344.455 3.747 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1cnc(F)c(Br)c1 ZINC001211616230 1032272285 /nfs/dbraw/zinc/27/22/85/1032272285.db2.gz CKPDEYBYORDPED-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM CCc1ccc(O)c([N-]S(=O)(=O)c2cccc(C)c2Cl)c1 ZINC000538297012 1032278010 /nfs/dbraw/zinc/27/80/10/1032278010.db2.gz SLTGYGSVYOIQCU-UHFFFAOYSA-N -1 0 325.817 3.717 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)ccc1F ZINC000485103862 1032307212 /nfs/dbraw/zinc/30/72/12/1032307212.db2.gz VGGQGVMBISRVGU-UHFFFAOYSA-N -1 0 349.305 3.834 20 0 EHADRM Cc1cc(C)c(-c2csc(C3(C(=O)[O-])CCOCC3)n2)c(C)c1 ZINC000905002879 1032315264 /nfs/dbraw/zinc/31/52/64/1032315264.db2.gz SWCIPGIDWODZES-UHFFFAOYSA-N -1 0 331.437 3.868 20 0 EHADRM Cc1cc(F)c(-c2csc(C3(C(=O)[O-])CCOCC3)n2)cc1F ZINC000905003727 1032315483 /nfs/dbraw/zinc/31/54/83/1032315483.db2.gz WBZJIUDLSRNMDN-UHFFFAOYSA-N -1 0 339.363 3.530 20 0 EHADRM CC[C@H](C)C(=O)Cc1nc(=O)c2snc(-c3ccc(F)cc3)c2[n-]1 ZINC000905032178 1032320609 /nfs/dbraw/zinc/32/06/09/1032320609.db2.gz ZJYWPEUEZDILFT-VIFPVBQESA-N -1 0 345.399 3.756 20 0 EHADRM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000905124690 1032352586 /nfs/dbraw/zinc/35/25/86/1032352586.db2.gz DROMGHDYZGSJMO-FQUUOJAGSA-N -1 0 333.403 3.551 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000905124757 1032352786 /nfs/dbraw/zinc/35/27/86/1032352786.db2.gz HJXNOMYHJDREPQ-RHQZKXFESA-N -1 0 341.451 3.672 20 0 EHADRM CSC1CCC(CNC(=O)[C@@](C)(CC(=O)[O-])CC(C)C)CC1 ZINC000905127120 1032356486 /nfs/dbraw/zinc/35/64/86/1032356486.db2.gz MEFGRJSWYPBWGV-MQBCKMQZSA-N -1 0 329.506 3.552 20 0 EHADRM COC(=O)c1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)[O-])[nH]1 ZINC000083522732 1032395402 /nfs/dbraw/zinc/39/54/02/1032395402.db2.gz CATBGJFZFWIICC-KHPPLWFESA-N -1 0 348.358 3.535 20 0 EHADRM CC(C)C[C@@H](NC(=O)C[C@@]1(C(=O)[O-])CCSC1)c1cccs1 ZINC000147026819 1032411230 /nfs/dbraw/zinc/41/12/30/1032411230.db2.gz XXSFADQYLOOWIZ-WBMJQRKESA-N -1 0 341.498 3.550 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CN(C(=O)NCCCCCC(=O)[O-])C2CC2)o1 ZINC000414632731 1017093763 /nfs/dbraw/zinc/09/37/63/1017093763.db2.gz YQVPXOQKKBHTPL-CZUORRHYSA-N -1 0 348.443 3.722 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)NCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000414634101 1017096193 /nfs/dbraw/zinc/09/61/93/1017096193.db2.gz WTFKRFGKWQIPEW-XHDPSFHLSA-N -1 0 326.824 3.591 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)N(CC(=O)[O-])Cc2ccccc2)c1C ZINC000579912066 1017098463 /nfs/dbraw/zinc/09/84/63/1017098463.db2.gz XSQHLZDBINBOKY-MRXNPFEDSA-N -1 0 340.423 3.661 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000601988394 1032583354 /nfs/dbraw/zinc/58/33/54/1032583354.db2.gz JFFVVJOEALXIQL-RQJHMYQMSA-N -1 0 337.775 3.811 20 0 EHADRM CCCN(C(=O)N=c1[n-]nc(C(C)(C)c2ccccc2)s1)C1CC1 ZINC000537257207 1032583796 /nfs/dbraw/zinc/58/37/96/1032583796.db2.gz HSBLPQQHYDKJMH-UHFFFAOYSA-N -1 0 344.484 3.692 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)S[C@H](C)C(=O)[O-])cc1C ZINC000601994044 1032585528 /nfs/dbraw/zinc/58/55/28/1032585528.db2.gz LHGZSFXERMWZSN-FMKPAKJESA-N -1 0 335.469 3.562 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-])c1cc2ccccc2s1 ZINC000592982352 1032648557 /nfs/dbraw/zinc/64/85/57/1032648557.db2.gz MJRXOBJJHFAWRZ-IACUBPJLSA-N -1 0 329.421 3.746 20 0 EHADRM CCn1c(Cc2cccc3ccccc32)n[n-]c1=Nc1c(C)n[nH]c1C ZINC000460213919 1032678256 /nfs/dbraw/zinc/67/82/56/1032678256.db2.gz UEAZALQVYZAORY-UHFFFAOYSA-N -1 0 346.438 3.547 20 0 EHADRM CCOc1ccc([C@@H]2CCCN2C(=O)NCCCCCC(=O)[O-])cc1 ZINC000414629761 1017089795 /nfs/dbraw/zinc/08/97/95/1017089795.db2.gz RZEWPSSYVRFRTA-KRWDZBQOSA-N -1 0 348.443 3.577 20 0 EHADRM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)CC1(CC(=O)[O-])CCCCC1 ZINC000237592604 1017094296 /nfs/dbraw/zinc/09/42/96/1017094296.db2.gz RPJUNIVPZIILAF-IFXJQAMLSA-N -1 0 329.440 3.851 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)Cc2csc3ccccc23)c1 ZINC000537401349 1032680527 /nfs/dbraw/zinc/68/05/27/1032680527.db2.gz QZMBDQYLRUPTGH-UHFFFAOYSA-N -1 0 329.352 3.920 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N(C)[C@@H](C)C(C)C)s1 ZINC000471361433 1017184900 /nfs/dbraw/zinc/18/49/00/1017184900.db2.gz DTALCMPIADJJBU-NSHDSACASA-N -1 0 336.436 3.583 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)C1(C2CC2)CCOCC1 ZINC000376947162 1017209839 /nfs/dbraw/zinc/20/98/39/1017209839.db2.gz GPOVXSXJVLOZDG-UHFFFAOYSA-N -1 0 330.211 3.844 20 0 EHADRM Cc1ccc([C@H]([N-]S(=O)(=O)CCC(C)(C)C)C(F)(F)F)o1 ZINC000655660427 1017348389 /nfs/dbraw/zinc/34/83/89/1017348389.db2.gz YWYNDCFKXWRAJM-NSHDSACASA-N -1 0 327.368 3.547 20 0 EHADRM Cc1ccc(C[C@@H]2CCCN2C(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000183617859 1017353250 /nfs/dbraw/zinc/35/32/50/1017353250.db2.gz LEFCXGGXSBWMEL-HNNXBMFYSA-N -1 0 331.362 3.826 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCCn2c(cc3ccccc32)C1 ZINC000377139864 1017361019 /nfs/dbraw/zinc/36/10/19/1017361019.db2.gz QTCVJLVJMKMIML-UHFFFAOYSA-N -1 0 342.345 3.671 20 0 EHADRM C[C@@H](CC(=O)N[C@H](CC(=O)[O-])C1CCCCC1)c1ccc(F)cc1 ZINC000537401146 1032703133 /nfs/dbraw/zinc/70/31/33/1032703133.db2.gz NAMQOXRUISRORB-SUMWQHHRSA-N -1 0 335.419 3.859 20 0 EHADRM C[C@@H](CC(=O)N[C@H](CC(=O)[O-])C1CCCCC1)Cc1cccc(F)c1 ZINC000537403538 1032704119 /nfs/dbraw/zinc/70/41/19/1032704119.db2.gz RDWHJRBBBCQZIQ-RDTXWAMCSA-N -1 0 349.446 3.934 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)[C@@H]3CC[C@H](C)C3)n2)cc1 ZINC000430446255 1017519614 /nfs/dbraw/zinc/51/96/14/1017519614.db2.gz CHLXGIDCGBIENI-WMLDXEAASA-N -1 0 341.455 3.962 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)c2oc3c(cccc3F)c2C)s1 ZINC000613663084 1017635255 /nfs/dbraw/zinc/63/52/55/1017635255.db2.gz FBNMLPJCNPMWKB-UHFFFAOYSA-N -1 0 333.388 3.749 20 0 EHADRM CC(C)OCc1ccc(C(=O)N[C@H](CC(=O)[O-])C2CCCCC2)cc1 ZINC000537412928 1032713919 /nfs/dbraw/zinc/71/39/19/1032713919.db2.gz AQBRYGBJYSUGLN-GOSISDBHSA-N -1 0 347.455 3.765 20 0 EHADRM COc1cnc(Br)c(Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001211649919 1017881312 /nfs/dbraw/zinc/88/13/12/1017881312.db2.gz GESVGKLFHPAJPK-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM O=C([O-])c1cc2c(cccc2-c2ccccc2OC[C@H]2CCOC2)[nH]1 ZINC000515500799 1032729804 /nfs/dbraw/zinc/72/98/04/1032729804.db2.gz PPSCPGMFLBAYLU-ZDUSSCGKSA-N -1 0 337.375 3.948 20 0 EHADRM CCc1nc2cc(CN=c3nc(C(C)(C)C)o[n-]3)ccc2n1C1CC1 ZINC000549265081 1017954201 /nfs/dbraw/zinc/95/42/01/1017954201.db2.gz BFIYRYYCSNYAGS-UHFFFAOYSA-N -1 0 339.443 3.648 20 0 EHADRM CC(C)(CC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1)C(=O)[O-] ZINC000377572957 1017997912 /nfs/dbraw/zinc/99/79/12/1017997912.db2.gz VKRHFOOUADGWPO-MRXNPFEDSA-N -1 0 328.412 3.722 20 0 EHADRM Cc1ccccc1[C@H](CC(C)C)NC(=O)C[C@@]1(C(=O)[O-])CCSC1 ZINC000602270847 1032743196 /nfs/dbraw/zinc/74/31/96/1032743196.db2.gz HRKIVAAWGCBANZ-LPHOPBHVSA-N -1 0 349.496 3.796 20 0 EHADRM CCCC[C@H](NC(=O)Nc1cccc(-c2nccs2)c1)C(=O)[O-] ZINC000580031254 1018238094 /nfs/dbraw/zinc/23/80/94/1018238094.db2.gz PSWFLEWRJSSSAN-ZDUSSCGKSA-N -1 0 333.413 3.575 20 0 EHADRM CC(=O)c1ccc(NC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)cc1 ZINC000236660539 1018431162 /nfs/dbraw/zinc/43/11/62/1018431162.db2.gz QAUSPWWHCSBCMI-LJQANCHMSA-N -1 0 331.412 3.889 20 0 EHADRM Cc1ccnc(N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1Br ZINC000656091513 1018520205 /nfs/dbraw/zinc/52/02/05/1018520205.db2.gz FKNUVRTURKAGSS-OUAUKWLOSA-N -1 0 341.249 3.700 20 0 EHADRM O=C(CC1(C(=O)[O-])CCCC1)NCc1ccc(OC2CCCC2)cc1 ZINC000340582246 1018585696 /nfs/dbraw/zinc/58/56/96/1018585696.db2.gz UTUAHJMLQZLAKO-UHFFFAOYSA-N -1 0 345.439 3.659 20 0 EHADRM COC(C)(C)c1nsc(NC(=O)c2cscc2C(F)F)n1 ZINC000893139762 1018607640 /nfs/dbraw/zinc/60/76/40/1018607640.db2.gz ILHJTZNTXNTUDD-UHFFFAOYSA-N -1 0 333.385 3.671 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000319221270 1018743544 /nfs/dbraw/zinc/74/35/44/1018743544.db2.gz PVOBDDLCXCZLGV-JQEORGNBSA-N -1 0 343.210 3.710 20 0 EHADRM COc1ccc(/C=C/C(=O)c2cccc(O[C@@H](C)C(=O)[O-])c2)cc1C ZINC000062692692 1032788129 /nfs/dbraw/zinc/78/81/29/1032788129.db2.gz MHNZTIQDRGQVEO-KGXGESDWSA-N -1 0 340.375 3.752 20 0 EHADRM [O-]c1c(Cl)nccc1-c1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC001214064067 1018858104 /nfs/dbraw/zinc/85/81/04/1018858104.db2.gz ZADWKRSAVHZJKD-UHFFFAOYSA-N -1 0 327.649 3.575 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)N(C)C1(C(=O)[O-])CCCC1 ZINC000571382842 1018863455 /nfs/dbraw/zinc/86/34/55/1018863455.db2.gz CPGDDELWAPEOBV-ZDUSSCGKSA-N -1 0 344.411 3.841 20 0 EHADRM CCSc1cccc([N-]S(=O)(=O)c2sc(C)nc2C)c1 ZINC000433488079 1019015930 /nfs/dbraw/zinc/01/59/30/1019015930.db2.gz MORLAWDMDZYBOR-UHFFFAOYSA-N -1 0 328.484 3.673 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)CCCc1ccc2ccccc2c1)CC1CC1 ZINC000580318866 1019022449 /nfs/dbraw/zinc/02/24/49/1019022449.db2.gz JRQHHGRQTBXOED-LJQANCHMSA-N -1 0 339.435 3.780 20 0 EHADRM COc1ccc(S(=O)(=O)Nc2ccc(C)c(C(F)(F)F)c2)cc1 ZINC000010514280 1019047706 /nfs/dbraw/zinc/04/77/06/1019047706.db2.gz QCLRUQQXLWPVPQ-UHFFFAOYSA-N -1 0 345.342 3.823 20 0 EHADRM O=C(N=c1nc(-c2cccnc2)[n-]s1)c1cccc(-c2ccoc2)c1 ZINC000340638631 1019050443 /nfs/dbraw/zinc/05/04/43/1019050443.db2.gz MQHLZPOAKYYKAS-UHFFFAOYSA-N -1 0 348.387 3.534 20 0 EHADRM Cc1noc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)c1C ZINC000340640469 1019053527 /nfs/dbraw/zinc/05/35/27/1019053527.db2.gz XCQLYLMLPHLZNR-UHFFFAOYSA-N -1 0 339.175 3.538 20 0 EHADRM COc1nc(Nc2cc(Cl)c([O-])c(Cl)c2)c(C)c(OC)n1 ZINC001210927938 1019072749 /nfs/dbraw/zinc/07/27/49/1019072749.db2.gz WHFVXXBQCYHMRR-UHFFFAOYSA-N -1 0 330.171 3.558 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N(Cc2ccccn2)C(C)C)s1 ZINC000602349162 1032805872 /nfs/dbraw/zinc/80/58/72/1032805872.db2.gz FLVBOCKGSDZODU-UHFFFAOYSA-N -1 0 347.488 3.530 20 0 EHADRM Fc1cc(I)cnc1Nc1cccc([S-])c1 ZINC001210945368 1019093823 /nfs/dbraw/zinc/09/38/23/1019093823.db2.gz OHUATTSGICONJX-UHFFFAOYSA-N -1 0 346.168 3.858 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nc(C(C)(C)C)ns2)ccc1Cl ZINC000656182460 1019094626 /nfs/dbraw/zinc/09/46/26/1019094626.db2.gz LNCQORNKQICOPB-UHFFFAOYSA-N -1 0 345.877 3.598 20 0 EHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)C1 ZINC000728981905 1019144861 /nfs/dbraw/zinc/14/48/61/1019144861.db2.gz KWODHWBGQJKDKV-YPMHNXCESA-N -1 0 345.468 3.569 20 0 EHADRM CC[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1C)c1ccccc1 ZINC000729066061 1019171503 /nfs/dbraw/zinc/17/15/03/1019171503.db2.gz MEMOUZSENBMATR-MRXNPFEDSA-N -1 0 345.464 3.692 20 0 EHADRM Cc1c(NCc2ccc(Oc3cnccn3)cc2)cccc1C(=O)[O-] ZINC000340678294 1019184124 /nfs/dbraw/zinc/18/41/24/1019184124.db2.gz ICZUKWBAGFUETA-UHFFFAOYSA-N -1 0 335.363 3.888 20 0 EHADRM CC(C)(C)c1ncc(CN[C@]2(C(=O)[O-])CCc3c2cccc3F)s1 ZINC000340684803 1019292442 /nfs/dbraw/zinc/29/24/42/1019292442.db2.gz VGWRGERMLJVMGB-GOSISDBHSA-N -1 0 348.443 3.596 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cccc3ccn(C)c32)c1Cl ZINC000471575527 1019331752 /nfs/dbraw/zinc/33/17/52/1019331752.db2.gz USEMFKZXQIYOFI-UHFFFAOYSA-N -1 0 334.828 3.941 20 0 EHADRM CSc1ccc2ncnc(N3CCC(C(C)(C)C(=O)[O-])CC3)c2c1 ZINC000580452196 1019391615 /nfs/dbraw/zinc/39/16/15/1019391615.db2.gz UAORPVAUPNCELD-UHFFFAOYSA-N -1 0 345.468 3.679 20 0 EHADRM CCCc1ccc(-c2cc(NC(=O)CCCCC(=O)[O-])n[nH]2)cc1 ZINC000656232104 1019462553 /nfs/dbraw/zinc/46/25/53/1019462553.db2.gz VJUYURVHWBUORG-UHFFFAOYSA-N -1 0 329.400 3.613 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1cnn(-c2ccccc2F)c1 ZINC000548106546 1019546074 /nfs/dbraw/zinc/54/60/74/1019546074.db2.gz GAYHCUHRKIGFQJ-UHFFFAOYSA-N -1 0 349.724 3.762 20 0 EHADRM C[C@]1(C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC=CCC1 ZINC000408479300 1019557966 /nfs/dbraw/zinc/55/79/66/1019557966.db2.gz ADQURWOIPIDJHY-AWEZNQCLSA-N -1 0 348.251 3.545 20 0 EHADRM O=C([O-])[C@H]1CC[C@H]1C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000262664365 1019698359 /nfs/dbraw/zinc/69/83/59/1019698359.db2.gz OANPNTXWTNOYJG-SFYZADRCSA-N -1 0 349.786 3.747 20 0 EHADRM O=C(N=c1nc(-c2ccccc2)[n-]s1)N1CCC[C@H]1C1CCCC1 ZINC000549937438 1019714384 /nfs/dbraw/zinc/71/43/84/1019714384.db2.gz YBLIXCDANUOWBE-HNNXBMFYSA-N -1 0 342.468 3.814 20 0 EHADRM CCSCc1ccc(C(=O)N2CC[C@](C(=O)[O-])(C(C)C)C2)cc1 ZINC000262920573 1019767411 /nfs/dbraw/zinc/76/74/11/1019767411.db2.gz NYDJTBHQCLFVDJ-GOSISDBHSA-N -1 0 335.469 3.513 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000262967637 1019779434 /nfs/dbraw/zinc/77/94/34/1019779434.db2.gz MLXIWBPTWGMBDM-SKDRFNHKSA-N -1 0 335.400 3.532 20 0 EHADRM CC1(C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)CCCCCC1 ZINC000263037998 1019797737 /nfs/dbraw/zinc/79/77/37/1019797737.db2.gz ZJTYTRKTKSEPJG-SJORKVTESA-N -1 0 329.440 3.674 20 0 EHADRM Cc1cc(F)ccc1C(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1 ZINC000433945950 1019815913 /nfs/dbraw/zinc/81/59/13/1019815913.db2.gz MLBMUOQIRBYMPS-UHFFFAOYSA-N -1 0 347.802 3.980 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC[C@@H]1C(=O)[O-] ZINC000263141510 1019826290 /nfs/dbraw/zinc/82/62/90/1019826290.db2.gz YLDUZKRUBVJEEH-RYUDHWBXSA-N -1 0 347.798 3.783 20 0 EHADRM Cc1cc(NC(=O)CC(C)(C)CC(=O)[O-])c(F)cc1Br ZINC000312956561 1019845606 /nfs/dbraw/zinc/84/56/06/1019845606.db2.gz LYCRXLXNDFZCFU-UHFFFAOYSA-N -1 0 346.196 3.726 20 0 EHADRM O=C([O-])CCCCC(=O)N(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000263229409 1019845670 /nfs/dbraw/zinc/84/56/70/1019845670.db2.gz APUZTEPRAVHSTD-UHFFFAOYSA-N -1 0 343.398 4.000 20 0 EHADRM C[C@@H](CCNC(=O)CCCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000263261265 1019854396 /nfs/dbraw/zinc/85/43/96/1019854396.db2.gz GMWPYCUNGDZBQB-LBPRGKRZSA-N -1 0 345.361 3.960 20 0 EHADRM CC(C)c1ccoc1C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000263526125 1019923564 /nfs/dbraw/zinc/92/35/64/1019923564.db2.gz JWFRUMWZMMBOCV-UHFFFAOYSA-N -1 0 345.395 3.577 20 0 EHADRM Cc1ccc(NC(=O)N([C@H](Cc2ccccc2)C(=O)[O-])C2CC2)cc1 ZINC000580751646 1019975853 /nfs/dbraw/zinc/97/58/53/1019975853.db2.gz JGJOHBMCPBXWEZ-GOSISDBHSA-N -1 0 338.407 3.687 20 0 EHADRM COc1cccc([C@H](C)C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC000588388005 1019998796 /nfs/dbraw/zinc/99/87/96/1019998796.db2.gz BEXUALVQOVUPAD-ZWXCPPHNSA-N -1 0 325.364 3.535 20 0 EHADRM CSc1ccccc1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000345171971 1020007610 /nfs/dbraw/zinc/00/76/10/1020007610.db2.gz KALKRQKIMPOKQL-UHFFFAOYSA-N -1 0 333.356 3.627 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)N[C@@H](C)c1cccc(Cl)c1Cl)C1CC1 ZINC000580871196 1020164414 /nfs/dbraw/zinc/16/44/14/1020164414.db2.gz SPCGMFBHSZNHSA-DTWKUNHWSA-N -1 0 345.226 3.702 20 0 EHADRM CO[C@@]1(C)CCCN(C(=O)c2c([O-])cc(Cl)cc2Cl)CC1 ZINC000280177621 1020168904 /nfs/dbraw/zinc/16/89/04/1020168904.db2.gz ZNWMLUTWHZJSAD-HNNXBMFYSA-N -1 0 332.227 3.730 20 0 EHADRM CCO[C@@H](C)c1ncc(C(=O)Nc2cc(Cl)c([O-])cc2F)s1 ZINC000345652140 1020427149 /nfs/dbraw/zinc/42/71/49/1020427149.db2.gz JUZHPXYDBIANQN-ZETCQYMHSA-N -1 0 344.795 3.991 20 0 EHADRM C[C@@H]1CCc2ccccc2N1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000647141996 1020432801 /nfs/dbraw/zinc/43/28/01/1020432801.db2.gz JHOMBBWMQARAJC-CQSZACIVSA-N -1 0 333.391 3.559 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCSc1ccccc1Cl ZINC000263504423 1020439751 /nfs/dbraw/zinc/43/97/51/1020439751.db2.gz LPTFPXLIJXWIPI-VXGBXAGGSA-N -1 0 341.860 3.534 20 0 EHADRM CSCc1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1 ZINC000340852667 1020443034 /nfs/dbraw/zinc/44/30/34/1020443034.db2.gz VZPPQENODMTZQG-UHFFFAOYSA-N -1 0 344.461 3.899 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc(Br)c(Cl)c1 ZINC000263534945 1020508915 /nfs/dbraw/zinc/50/89/15/1020508915.db2.gz YQPDXJHDRZWJGG-ONGXEEELSA-N -1 0 346.652 3.788 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000345806354 1020517464 /nfs/dbraw/zinc/51/74/64/1020517464.db2.gz NEXDHRYTMIEDIW-GFCCVEGCSA-N -1 0 347.798 3.637 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)Nc1cccc(F)c1F)C(=O)[O-] ZINC000345827609 1020530309 /nfs/dbraw/zinc/53/03/09/1020530309.db2.gz SXEPWDWMBFWTDI-SECBINFHSA-N -1 0 337.347 3.782 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1ccc2sccc2c1)Cc1ccccc1 ZINC000345941498 1020607550 /nfs/dbraw/zinc/60/75/50/1020607550.db2.gz QYFGJAOTOHHCHF-MRXNPFEDSA-N -1 0 339.416 3.575 20 0 EHADRM CC(C)Cc1nc(=N[C@H](C)c2nccn2-c2ccccc2)s[n-]1 ZINC000340920937 1020613106 /nfs/dbraw/zinc/61/31/06/1020613106.db2.gz TYKWBOOSIHZSAS-CYBMUJFWSA-N -1 0 327.457 3.517 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1C ZINC000340929947 1020643497 /nfs/dbraw/zinc/64/34/97/1020643497.db2.gz BKZCYELUFJXNJI-JTQLQIEISA-N -1 0 343.399 3.901 20 0 EHADRM C[C@@H]1[C@@H](C(=O)N=c2nc(Cc3ccccc3)[n-]s2)[C@H]1c1ccccc1 ZINC000430550420 1020647254 /nfs/dbraw/zinc/64/72/54/1020647254.db2.gz ONLKERQGQMPASM-MORSLUCNSA-N -1 0 349.459 3.539 20 0 EHADRM O=c1cc(CSCc2ccc(-n3ccnc3)cc2)nc(C2CC2)[nH]1 ZINC000419460797 1020652249 /nfs/dbraw/zinc/65/22/49/1020652249.db2.gz GMFNINCMFWHGAM-UHFFFAOYSA-N -1 0 338.436 3.679 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1Cl ZINC000050921114 1020707839 /nfs/dbraw/zinc/70/78/39/1020707839.db2.gz WUXFGHOZSBWOMD-LLVKDONJSA-N -1 0 330.211 3.853 20 0 EHADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cccc(-c2ccccc2)c1 ZINC000340987265 1020764337 /nfs/dbraw/zinc/76/43/37/1020764337.db2.gz VZRDFSOQAFQHJC-UHFFFAOYSA-N -1 0 341.436 3.505 20 0 EHADRM FC(F)(F)Cn1cc(N=c2nc(C3CCCCC3)[n-]s2)cn1 ZINC000581481910 1021003623 /nfs/dbraw/zinc/00/36/23/1021003623.db2.gz HCHYAFLOUJVRKG-UHFFFAOYSA-N -1 0 331.367 3.510 20 0 EHADRM O=S(=O)(CCC1CCC1)[N-][C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000349445797 1021051148 /nfs/dbraw/zinc/05/11/48/1021051148.db2.gz AESBWLXHKKXARH-ZDUSSCGKSA-N -1 0 339.354 3.539 20 0 EHADRM Cc1ccc(CC(=O)[N-]S(=O)(=O)c2ccccc2Cl)cc1C ZINC000075799020 1021181989 /nfs/dbraw/zinc/18/19/89/1021181989.db2.gz ZYQOXMLDKDMSJE-UHFFFAOYSA-N -1 0 337.828 3.845 20 0 EHADRM Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000319848317 1021203759 /nfs/dbraw/zinc/20/37/59/1021203759.db2.gz KQMGWERMCNIANV-UHFFFAOYSA-N -1 0 336.844 3.723 20 0 EHADRM O=C(Nc1ccc(F)c(F)c1[O-])c1ccc(C(F)(F)F)c(O)c1 ZINC001625987750 1032963426 /nfs/dbraw/zinc/96/34/26/1032963426.db2.gz BFSMDBLNACLMBW-UHFFFAOYSA-N -1 0 333.212 3.647 20 0 EHADRM CCOC1CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])C1 ZINC000436786557 1021230311 /nfs/dbraw/zinc/23/03/11/1021230311.db2.gz JQAXZRHMSCGMTN-UHFFFAOYSA-N -1 0 331.799 3.574 20 0 EHADRM Cc1ccnc([N-]S(=O)(=O)c2cccc(Cl)c2F)c1C1CC1 ZINC000656738526 1021232121 /nfs/dbraw/zinc/23/21/21/1021232121.db2.gz KNQVIBIRUBPQEB-UHFFFAOYSA-N -1 0 340.807 3.861 20 0 EHADRM CO[C@H]1CCOc2c(NC(=O)c3ccc([O-])c(Cl)c3)cccc21 ZINC000436804140 1021247727 /nfs/dbraw/zinc/24/77/27/1021247727.db2.gz ASSKRHJBBSKRNX-HNNXBMFYSA-N -1 0 333.771 3.768 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cc(F)c([O-])c(F)c3)C2)cc1 ZINC000436830110 1021262391 /nfs/dbraw/zinc/26/23/91/1021262391.db2.gz UPBQFBHJTYKKJO-IUODEOHRSA-N -1 0 331.362 3.997 20 0 EHADRM O=C(N[C@@H](CCO)c1ccco1)c1cc(Cl)c2ccccc2c1[O-] ZINC000436823503 1021274947 /nfs/dbraw/zinc/27/49/47/1021274947.db2.gz VIBHOXHWIHZUPT-HNNXBMFYSA-N -1 0 345.782 3.645 20 0 EHADRM O=C(N[C@H]1CCC[C@H]1c1ccccc1)c1nn(-c2ccccc2)cc1[O-] ZINC000439264064 1021288497 /nfs/dbraw/zinc/28/84/97/1021288497.db2.gz UQXNAANNSLDPOW-ROUUACIJSA-N -1 0 347.418 3.644 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)c1 ZINC000436859785 1021298084 /nfs/dbraw/zinc/29/80/84/1021298084.db2.gz DHTWTHGBCBSOFJ-UHFFFAOYSA-N -1 0 342.782 3.911 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2ccccc2Br)c1 ZINC000436863202 1021301958 /nfs/dbraw/zinc/30/19/58/1021301958.db2.gz SVESRKUELVKIKK-UHFFFAOYSA-N -1 0 334.169 3.610 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CCOc2cc(C)ccc2C)c1 ZINC000436877013 1021304412 /nfs/dbraw/zinc/30/44/12/1021304412.db2.gz MJOUTHQFFMURBY-UHFFFAOYSA-N -1 0 327.380 3.619 20 0 EHADRM COc1ccc(OCc2noc(-c3cc(Cl)ccc3[O-])n2)cc1 ZINC000436893921 1021323584 /nfs/dbraw/zinc/32/35/84/1021323584.db2.gz PIQFUNLUMUTWDI-UHFFFAOYSA-N -1 0 332.743 3.683 20 0 EHADRM [O-]c1ccc(Cl)cc1-c1nc(-c2ccnc(N3CCCC3)c2)no1 ZINC000436890843 1021344169 /nfs/dbraw/zinc/34/41/69/1021344169.db2.gz DFTZUJGLAZAIKF-UHFFFAOYSA-N -1 0 342.786 3.758 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cc(C)oc2C(F)(F)F)c1 ZINC000436893221 1021346169 /nfs/dbraw/zinc/34/61/69/1021346169.db2.gz OOXSIMAOPPMEQA-UHFFFAOYSA-N -1 0 327.258 3.767 20 0 EHADRM O=C(Nc1cc(-c2ccccc2)on1)c1cc(F)c([O-])c(Cl)c1 ZINC000436904445 1021351936 /nfs/dbraw/zinc/35/19/36/1021351936.db2.gz LDOHNJXQWKUARW-UHFFFAOYSA-N -1 0 332.718 3.514 20 0 EHADRM C[C@H](COc1cccc(F)c1)NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436921054 1021376960 /nfs/dbraw/zinc/37/69/60/1021376960.db2.gz RJUJWEVPRXYOPO-SECBINFHSA-N -1 0 341.741 3.521 20 0 EHADRM C[C@@H](COc1cccc(F)c1)NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436921055 1021377966 /nfs/dbraw/zinc/37/79/66/1021377966.db2.gz RJUJWEVPRXYOPO-VIFPVBQESA-N -1 0 341.741 3.521 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)c2cc(F)c([O-])c(F)c2)c1C1CC1 ZINC000436967538 1021415152 /nfs/dbraw/zinc/41/51/52/1021415152.db2.gz PXLRPYBTDBYRJA-VIFPVBQESA-N -1 0 335.354 3.968 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)Nc3ccccc3O)n2)c1 ZINC000436950455 1021416915 /nfs/dbraw/zinc/41/69/15/1021416915.db2.gz OOJJBPQDVKDRFL-UHFFFAOYSA-N -1 0 337.379 3.659 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc(Br)ccc2O)CC1(C)C ZINC000436957607 1021421039 /nfs/dbraw/zinc/42/10/39/1021421039.db2.gz YZWDOOQQMHXAAK-JTQLQIEISA-N -1 0 326.234 3.663 20 0 EHADRM O=C(NCC[C@@H](c1ccccc1)C(F)(F)F)c1ccc(O)cc1O ZINC000436955960 1021421518 /nfs/dbraw/zinc/42/15/18/1021421518.db2.gz OCUMOXHJZDTSHD-AWEZNQCLSA-N -1 0 339.313 3.564 20 0 EHADRM O=C(Nc1ccccc1OCc1cscn1)c1c([O-])cccc1F ZINC000436959284 1021422757 /nfs/dbraw/zinc/42/27/57/1021422757.db2.gz CKEMAJAPMHAOOM-UHFFFAOYSA-N -1 0 344.367 3.819 20 0 EHADRM CCOC(=O)c1nc(Cl)sc1Nc1ccc(C(=O)[O-])cc1C ZINC001211620971 1032979677 /nfs/dbraw/zinc/97/96/77/1032979677.db2.gz QAZDRPULDAKUPY-UHFFFAOYSA-N -1 0 340.788 3.723 20 0 EHADRM Cc1c(NC(=O)c2cc(F)cc(Cl)c2[O-])cnn1-c1ccccc1 ZINC000436995962 1021450849 /nfs/dbraw/zinc/45/08/49/1021450849.db2.gz JUSOVPNGLIUCMA-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM CC(C)OC(=O)CC[C@H](C)NC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000437000457 1021471841 /nfs/dbraw/zinc/47/18/41/1021471841.db2.gz MHAGREIQGMHWEJ-VIFPVBQESA-N -1 0 348.226 3.549 20 0 EHADRM O=C(Nc1ccccc1-n1ccnc1)c1cc(F)c([O-])c(Cl)c1 ZINC000437002310 1021473989 /nfs/dbraw/zinc/47/39/89/1021473989.db2.gz GXCPFTJSWSGQRT-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM C[C@H](CN=c1nc(C(F)(F)F)[n-]s1)Oc1ccccc1Cl ZINC000581683961 1021489409 /nfs/dbraw/zinc/48/94/09/1021489409.db2.gz OQCGDKGJEWXZMJ-SSDOTTSWSA-N -1 0 337.754 3.512 20 0 EHADRM Cc1cc(C)nc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000162374805 1021537245 /nfs/dbraw/zinc/53/72/45/1021537245.db2.gz WFXQDYKUJVYXAY-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM O=S(=O)(Nc1ccc2oc(C3CC3)nc2c1)c1cccc(F)c1 ZINC000032097246 1021582451 /nfs/dbraw/zinc/58/24/51/1021582451.db2.gz FFNMLUKZUUJRCI-UHFFFAOYSA-N -1 0 332.356 3.645 20 0 EHADRM CC(C)(C)c1ccc(OCC(=O)N=c2cccn[n-]2)c(C(C)(C)C)c1 ZINC000605471017 1021645108 /nfs/dbraw/zinc/64/51/08/1021645108.db2.gz DDJLJEMSVCEWEK-UHFFFAOYSA-N -1 0 341.455 3.511 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl ZINC000519862209 1021736024 /nfs/dbraw/zinc/73/60/24/1021736024.db2.gz SCDKETHIODNZIL-SNVBAGLBSA-N -1 0 347.242 3.603 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cccc(F)c2)c2cccnc2c1C ZINC000437330997 1021741291 /nfs/dbraw/zinc/74/12/91/1021741291.db2.gz DLFUKNWZANIJDL-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM CCc1sc([N-]S(=O)(=O)CCCCF)nc1-c1ccccc1 ZINC000516807865 1021758599 /nfs/dbraw/zinc/75/85/99/1021758599.db2.gz IBMOAPYRNHBXDA-UHFFFAOYSA-N -1 0 342.461 3.864 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ncccc2C)c(Cl)c1Cl ZINC000437401179 1021797108 /nfs/dbraw/zinc/79/71/08/1021797108.db2.gz VMHRJCHSEIZBRO-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CC(C)c1csc(C(C#N)=C([O-])c2ccc(Cn3cccn3)o2)n1 ZINC000080452769 1021808173 /nfs/dbraw/zinc/80/81/73/1021808173.db2.gz YOIFFWBBSJBGQD-ZDUSSCGKSA-N -1 0 340.408 3.594 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nc(C(C)(C)C)cs2)cc(C)c1F ZINC000437421227 1021813744 /nfs/dbraw/zinc/81/37/44/1021813744.db2.gz NBOFJGDQIXJBLV-UHFFFAOYSA-N -1 0 342.461 3.997 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)c2ccc(C3CCC3)cc2)C(=O)[O-])cc1 ZINC000439929767 1021818454 /nfs/dbraw/zinc/81/84/54/1021818454.db2.gz IMZXZUNMHFQCJA-LJQANCHMSA-N -1 0 337.419 3.861 20 0 EHADRM Cc1ccc(NC(=O)NCCCCC(=O)[O-])cc1OCCC(C)C ZINC000669500096 1033011111 /nfs/dbraw/zinc/01/11/11/1033011111.db2.gz PBYPLGYERPDTHL-UHFFFAOYSA-N -1 0 336.432 3.796 20 0 EHADRM COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)[C@H](C)C(=O)[O-])cc1 ZINC000516926717 1021860103 /nfs/dbraw/zinc/86/01/03/1021860103.db2.gz IMHNWPNKBRMARN-KBPBESRZSA-N -1 0 341.407 3.602 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N(C)[C@@H](CC)Cc2ccc(C)cc2)s1 ZINC000437554301 1021938514 /nfs/dbraw/zinc/93/85/14/1021938514.db2.gz CLKHSZQOKFMIJI-HNNXBMFYSA-N -1 0 346.500 3.706 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N(C)CC(C)(C)c2ccc(C)cc2)s1 ZINC000437560328 1021951114 /nfs/dbraw/zinc/95/11/14/1021951114.db2.gz QVTRFUIMJGGIHG-UHFFFAOYSA-N -1 0 346.500 3.662 20 0 EHADRM CCc1n[n-]c(=NC(=O)N(CC)[C@H](CC)Cc2ccc(C)cc2)s1 ZINC000437579280 1021966797 /nfs/dbraw/zinc/96/67/97/1021966797.db2.gz HSOAKKXTOLCAIL-OAHLLOKOSA-N -1 0 346.500 3.706 20 0 EHADRM O=C(N=c1nc(-c2ccccc2)[n-]s1)C1(Cc2ccccc2)CC1 ZINC000437673968 1022045315 /nfs/dbraw/zinc/04/53/15/1022045315.db2.gz YYZATTOTJFKASQ-UHFFFAOYSA-N -1 0 335.432 3.588 20 0 EHADRM Cc1cc(-c2ncccc2[N-]S(=O)(=O)c2ccccc2)cs1 ZINC000437681392 1022052976 /nfs/dbraw/zinc/05/29/76/1022052976.db2.gz XCEOHYUOBCZZMC-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM Cc1ccc(C2CC2)c(C(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)c1 ZINC000519406222 1022070618 /nfs/dbraw/zinc/07/06/18/1022070618.db2.gz NXWDCNBVMSPQPA-QFIPXVFZSA-N -1 0 349.430 3.741 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1cnc2ccccc2c1 ZINC000188318379 1022092263 /nfs/dbraw/zinc/09/22/63/1022092263.db2.gz CPLPPSWQRBFLLR-UHFFFAOYSA-N -1 0 330.434 3.758 20 0 EHADRM C[C@@H](CCC(=O)[N-]S(=O)(=O)/C=C\c1ccccc1)c1ccccc1 ZINC000255372060 1022109133 /nfs/dbraw/zinc/10/91/33/1022109133.db2.gz AJSOKROSMGOYGS-FCFCDCELSA-N -1 0 343.448 3.687 20 0 EHADRM O=S(=O)([N-]c1nccn1-c1ccccc1)c1cccc2ccccc21 ZINC000430672353 1022117594 /nfs/dbraw/zinc/11/75/94/1022117594.db2.gz TVJKITDUYWCXRZ-UHFFFAOYSA-N -1 0 349.415 3.826 20 0 EHADRM CCC[C@H]1[C@H](C)CCCN1C(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000437813369 1022163894 /nfs/dbraw/zinc/16/38/94/1022163894.db2.gz CKRVBEGNQNPHBM-NEPJUHHUSA-N -1 0 334.445 3.653 20 0 EHADRM CCc1nc(SCc2cnc3c(cnn3C(C)C)c2)[nH]c(=O)c1C ZINC000581895385 1022189211 /nfs/dbraw/zinc/18/92/11/1022189211.db2.gz CWNDAODQTJLUFC-UHFFFAOYSA-N -1 0 343.456 3.671 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)N1CCC[C@@H](CC(=O)[O-])C1)C(C)(C)C ZINC000517326653 1022259945 /nfs/dbraw/zinc/25/99/45/1022259945.db2.gz BHPYLRAARIHUIC-MAUKXSAKSA-N -1 0 346.471 3.979 20 0 EHADRM CC(C)[C@H](CNC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000655568262 1022267602 /nfs/dbraw/zinc/26/76/02/1022267602.db2.gz FVVOZAVMOXKZIS-RDBSUJKOSA-N -1 0 344.238 3.570 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000655572966 1022358104 /nfs/dbraw/zinc/35/81/04/1022358104.db2.gz IHSPENAMPKYNTD-LBPRGKRZSA-N -1 0 329.849 3.539 20 0 EHADRM CN(CC1(O)CCCC1)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000123891853 1022423090 /nfs/dbraw/zinc/42/30/90/1022423090.db2.gz AHNMOCLJABCXME-UHFFFAOYSA-N -1 0 333.815 3.576 20 0 EHADRM Cc1ccc(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c(F)c1Cl ZINC000655576220 1022424070 /nfs/dbraw/zinc/42/40/70/1022424070.db2.gz NYMFPOROZUYOBD-ADEWGFFLSA-N -1 0 341.810 3.653 20 0 EHADRM CC(C)(c1ccc(NC(=O)NCCCCC(=O)[O-])cc1)C(F)(F)F ZINC000669505086 1033060914 /nfs/dbraw/zinc/06/09/14/1033060914.db2.gz XPIUOQIUNGNSML-UHFFFAOYSA-N -1 0 346.349 3.903 20 0 EHADRM Clc1cc(Cl)cc(-c2n[n-]c(=NCC[C@H]3CCOC3)s2)c1 ZINC000581966594 1022567930 /nfs/dbraw/zinc/56/79/30/1022567930.db2.gz JDJCUWJXGMHBDQ-VIFPVBQESA-N -1 0 344.267 3.772 20 0 EHADRM CO[C@@H](C)c1nc(CN=c2nc(C3CCCCC3)[n-]s2)cs1 ZINC000517728233 1022616933 /nfs/dbraw/zinc/61/69/33/1022616933.db2.gz VBOJYWZEKUUBIB-JTQLQIEISA-N -1 0 338.502 3.784 20 0 EHADRM Cc1cccc([C@H]([N-]S(=O)(=O)CCC2CCC2)C(F)(F)F)c1 ZINC000517783565 1022650751 /nfs/dbraw/zinc/65/07/51/1022650751.db2.gz RXJKWEDJENMEQD-AWEZNQCLSA-N -1 0 335.391 3.708 20 0 EHADRM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)N=c2[n-]nc(-c3ccccc3)s2)C1 ZINC000473770636 1022709349 /nfs/dbraw/zinc/70/93/49/1022709349.db2.gz MBTIKLRAAJIVHF-AGIUHOORSA-N -1 0 330.457 3.525 20 0 EHADRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(Cl)cc2C)c1C ZINC000331082556 1022736981 /nfs/dbraw/zinc/73/69/81/1022736981.db2.gz AYYFXDDGYNCHHD-LLVKDONJSA-N -1 0 341.864 3.925 20 0 EHADRM CC(C)(C)[C@@H]1CCCN(C(=O)c2nn(-c3ccccc3F)cc2[O-])C1 ZINC000331088934 1022751370 /nfs/dbraw/zinc/75/13/70/1022751370.db2.gz UGSVSYBGNKRMBY-CYBMUJFWSA-N -1 0 345.418 3.615 20 0 EHADRM O=S(=O)(Nc1ccc(F)cc1)c1ccc(F)c(Br)c1 ZINC000146480382 1022782139 /nfs/dbraw/zinc/78/21/39/1022782139.db2.gz SGCVKRQIFQCYTF-UHFFFAOYSA-N -1 0 348.168 3.528 20 0 EHADRM O=c1nc(Cc2ccc(OCc3cccnc3)cc2)[n-]c2ccsc21 ZINC000050186680 1022833021 /nfs/dbraw/zinc/83/30/21/1022833021.db2.gz JVHGYIOYHMFJEO-UHFFFAOYSA-N -1 0 349.415 3.549 20 0 EHADRM O=S(=O)([N-]c1cc(C2CCCC2)[nH]n1)c1ccc(Cl)s1 ZINC000126811459 1022839022 /nfs/dbraw/zinc/83/90/22/1022839022.db2.gz LJVDTFUGTCHYFS-UHFFFAOYSA-N -1 0 331.850 3.583 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)N2CC[C@H](C(C)C)C2)s[n-]1 ZINC000473825851 1022888137 /nfs/dbraw/zinc/88/81/37/1022888137.db2.gz DAKDKHMAMKHPAJ-NSHDSACASA-N -1 0 336.486 3.507 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)N2CCC[C@H]2C(C)C)s[n-]1 ZINC000473829047 1022904663 /nfs/dbraw/zinc/90/46/63/1022904663.db2.gz ZFDLLVMHXYRGII-NSHDSACASA-N -1 0 336.486 3.649 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)ccc2C)c1 ZINC000112266085 1022914163 /nfs/dbraw/zinc/91/41/63/1022914163.db2.gz JVPWEHFEAFLKCW-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CCOc1cc(-c2noc([C@@H]3CC[C@@H](OC)C3)n2)cc(Cl)c1O ZINC000664846590 1022918563 /nfs/dbraw/zinc/91/85/63/1022918563.db2.gz RGNCRARTTLZYGM-MWLCHTKSSA-N -1 0 338.791 3.777 20 0 EHADRM Cc1nc(CNCc2cccc(-c3ccncc3)c2)sc1C(=O)[O-] ZINC000426685344 1022961843 /nfs/dbraw/zinc/96/18/43/1022961843.db2.gz HGDCJSAMBWGAJH-UHFFFAOYSA-N -1 0 339.420 3.502 20 0 EHADRM Cc1nc(CNCc2cc(F)cc(C(F)(F)F)c2)sc1C(=O)[O-] ZINC000426679030 1022966915 /nfs/dbraw/zinc/96/69/15/1022966915.db2.gz FYCNKRAMSYWSLM-UHFFFAOYSA-N -1 0 348.321 3.597 20 0 EHADRM CCOc1ccc(S(=O)(=O)C(C)=C([O-])c2cc(C)ccc2C)cc1 ZINC000487388667 1022967301 /nfs/dbraw/zinc/96/73/01/1022967301.db2.gz MJWZPDSLLZAWMW-HNNXBMFYSA-N -1 0 346.448 3.747 20 0 EHADRM COc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2F)ccc1OC(C)C ZINC000346014762 1022967642 /nfs/dbraw/zinc/96/76/42/1022967642.db2.gz LAIFRIFTFYNROS-UHFFFAOYSA-N -1 0 347.342 3.572 20 0 EHADRM O=C([O-])[C@H](C[NH2+]Cc1c(F)cccc1F)Cc1ccc(Cl)cc1 ZINC000426689182 1022976307 /nfs/dbraw/zinc/97/63/07/1022976307.db2.gz YGWYYTAKSCJGOD-LBPRGKRZSA-N -1 0 339.769 3.651 20 0 EHADRM CCOc1cc(-c2noc([C@H](OC)C3CCC3)n2)cc(Cl)c1O ZINC000664847208 1022977026 /nfs/dbraw/zinc/97/70/26/1022977026.db2.gz WMMRWQPFJQJSNO-CQSZACIVSA-N -1 0 338.791 3.982 20 0 EHADRM CC(C)Cn1cc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cn1 ZINC000438776374 1022992548 /nfs/dbraw/zinc/99/25/48/1022992548.db2.gz SMJZEXVXAIUMLT-UHFFFAOYSA-N -1 0 348.255 3.647 20 0 EHADRM O=C([O-])[C@H](NCc1cc2c(cccc2F)[nH]1)c1c(F)cccc1F ZINC000426729442 1023000159 /nfs/dbraw/zinc/00/01/59/1023000159.db2.gz CVKDHIUGXZFGKT-MRXNPFEDSA-N -1 0 334.297 3.501 20 0 EHADRM COc1ccccc1[C@H]([NH2+]Cc1ccc(OCC(C)C)cc1)C(=O)[O-] ZINC000426768917 1023032742 /nfs/dbraw/zinc/03/27/42/1023032742.db2.gz DITRPLCVVIVWKI-IBGZPJMESA-N -1 0 343.423 3.646 20 0 EHADRM CCSc1cccc(C[NH2+][C@H](C(=O)[O-])c2ccccc2OC)c1 ZINC000426772618 1023034381 /nfs/dbraw/zinc/03/43/81/1023034381.db2.gz FPBGGMUNMCDRKD-KRWDZBQOSA-N -1 0 331.437 3.723 20 0 EHADRM COc1cc(CCN=c2[n-]nc(-c3ccccc3)s2)ccc1C ZINC000607356638 1033101314 /nfs/dbraw/zinc/10/13/14/1033101314.db2.gz WURIECJYIJGXQW-UHFFFAOYSA-N -1 0 325.437 3.599 20 0 EHADRM CCc1ccc([C@H](NCc2c[nH]c(-c3ccccc3)n2)C(=O)[O-])cc1 ZINC000426812111 1023062188 /nfs/dbraw/zinc/06/21/88/1023062188.db2.gz PNCCAZRYHFAJJG-SFHVURJKSA-N -1 0 335.407 3.555 20 0 EHADRM COc1cnccc1[C@@H](C)NC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000189614179 1023063649 /nfs/dbraw/zinc/06/36/49/1023063649.db2.gz GIDGQAXSYHLZLD-MRVPVSSYSA-N -1 0 341.194 3.594 20 0 EHADRM COc1ccc([C@H](NCc2cc3ccccc3s2)C(=O)[O-])cc1F ZINC000426825584 1023071140 /nfs/dbraw/zinc/07/11/40/1023071140.db2.gz BGFYDONJBLWYJU-KRWDZBQOSA-N -1 0 345.395 3.965 20 0 EHADRM COCCc1nc(=NCC2(Sc3ccccc3)CCCC2)s[n-]1 ZINC000426902624 1023105047 /nfs/dbraw/zinc/10/50/47/1023105047.db2.gz BCAFEVCBUWDMCY-UHFFFAOYSA-N -1 0 349.525 3.666 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000237175439 1023109878 /nfs/dbraw/zinc/10/98/78/1023109878.db2.gz CMJAEOLRNCORAR-CLUXPMKYSA-N -1 0 339.391 3.925 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2c3c(nn2C(C)C)CCC3)c(C)c1 ZINC000471909217 1023117131 /nfs/dbraw/zinc/11/71/31/1023117131.db2.gz YHDKMGRXZZLVKO-UHFFFAOYSA-N -1 0 347.484 3.679 20 0 EHADRM CCCCOc1ccc(C([O-])=CS(=O)(=O)c2ccccc2)cc1 ZINC000196120290 1033107029 /nfs/dbraw/zinc/10/70/29/1033107029.db2.gz MQTYZJIAYIWDME-UHFFFAOYSA-N -1 0 332.421 3.522 20 0 EHADRM O=C([O-])c1cccc(CC(=O)Nc2ccc(F)c(C(F)(F)F)c2)c1 ZINC000537472991 1033107488 /nfs/dbraw/zinc/10/74/88/1033107488.db2.gz BWCDRPIRSGLPSB-UHFFFAOYSA-N -1 0 341.260 3.724 20 0 EHADRM CC1(C)CC[C@@H](C(=O)Nc2cc(Br)cc(Cl)c2[O-])O1 ZINC000426995466 1023149878 /nfs/dbraw/zinc/14/98/78/1023149878.db2.gz QKHPNVVIVNWBKS-JTQLQIEISA-N -1 0 348.624 3.704 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)sc1C ZINC000091019308 1023192928 /nfs/dbraw/zinc/19/29/28/1023192928.db2.gz XZASJLBYGJRNHT-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM Cc1ccc(C(=O)NCC2CC2)cc1NCc1cc(O)cc(F)c1 ZINC000190356657 1023195066 /nfs/dbraw/zinc/19/50/66/1023195066.db2.gz XUFRMGOCZPISAU-UHFFFAOYSA-N -1 0 328.387 3.592 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCC1(c2ccc(Cl)cc2)CCCCC1 ZINC000507337045 1023244907 /nfs/dbraw/zinc/24/49/07/1023244907.db2.gz BANAADYJAIRRQY-JKSUJKDBSA-N -1 0 349.858 3.769 20 0 EHADRM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000518380257 1023267263 /nfs/dbraw/zinc/26/72/63/1023267263.db2.gz XHPAJBVXQGRXDE-ZUJMUWTESA-N -1 0 347.430 3.941 20 0 EHADRM O=C([O-])c1ccc2nc(/C=C/c3cnn(CC(F)F)c3)sc2c1 ZINC000431168644 1023371314 /nfs/dbraw/zinc/37/13/14/1023371314.db2.gz QAEXZHVLGSMDOH-DAFODLJHSA-N -1 0 335.335 3.627 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(-c3ccccc3)[nH]n2)s1 ZINC000431168859 1023373225 /nfs/dbraw/zinc/37/32/25/1023373225.db2.gz SZWHOCKBEWNXJX-UHFFFAOYSA-N -1 0 333.438 3.556 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cn(-c3ccccc3)nc2C)s1 ZINC000431167066 1023374904 /nfs/dbraw/zinc/37/49/04/1023374904.db2.gz BCKQFDKKEFISDI-UHFFFAOYSA-N -1 0 347.465 3.660 20 0 EHADRM O=C([O-])c1ccccc1CN1CCc2cc(Br)ccc2C1 ZINC001140499077 1023413414 /nfs/dbraw/zinc/41/34/14/1023413414.db2.gz ZVBODWHVUJLURU-UHFFFAOYSA-N -1 0 346.224 3.706 20 0 EHADRM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cnc3ccccc3c2)c1 ZINC000132615860 1023433690 /nfs/dbraw/zinc/43/36/90/1023433690.db2.gz RMTQKSYCAVNHQN-UHFFFAOYSA-N -1 0 340.404 3.628 20 0 EHADRM Cc1cc(OC(C)C)ccc1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000548478937 1023449663 /nfs/dbraw/zinc/44/96/63/1023449663.db2.gz JBAFZKSZQGXVTO-UHFFFAOYSA-N -1 0 331.343 3.872 20 0 EHADRM C[C@@H](CCc1ccc(Br)cc1)N=c1[n-]nc(C2CC2)o1 ZINC000341849977 1023453824 /nfs/dbraw/zinc/45/38/24/1023453824.db2.gz WACHQEHVGVBQEV-JTQLQIEISA-N -1 0 336.233 3.565 20 0 EHADRM COC(=O)c1ccc(-c2nc(-c3ccccc3C(F)(F)F)no2)[nH]1 ZINC000426410962 1023504230 /nfs/dbraw/zinc/50/42/30/1023504230.db2.gz KNIJJOUDMKTHMG-UHFFFAOYSA-N -1 0 337.257 3.537 20 0 EHADRM Cc1nc2ccc([N-]S(=O)(=O)c3cc4ccccc4o3)cc2o1 ZINC000131698460 1023513972 /nfs/dbraw/zinc/51/39/72/1023513972.db2.gz JGJLMORQCWOAIB-UHFFFAOYSA-N -1 0 328.349 3.683 20 0 EHADRM CCc1c(NC(=O)c2cc(F)c([O-])c(F)c2)cnn1CCC(C)C ZINC000277037062 1023716242 /nfs/dbraw/zinc/71/62/42/1023716242.db2.gz GXQJASQXIWETPU-UHFFFAOYSA-N -1 0 337.370 3.728 20 0 EHADRM Cc1nc(CNCc2cc(C(F)(F)F)ccc2F)ccc1C(=O)[O-] ZINC000277142672 1023828625 /nfs/dbraw/zinc/82/86/25/1023828625.db2.gz CEJSSJSYNHSIBL-UHFFFAOYSA-N -1 0 342.292 3.536 20 0 EHADRM O=C([O-])CCOc1ccc(/C=C/c2ccc3cccc(O)c3n2)cc1 ZINC000044025650 1023854367 /nfs/dbraw/zinc/85/43/67/1023854367.db2.gz GLFTYBAJTKBPRP-XBXARRHUSA-N -1 0 335.359 3.964 20 0 EHADRM COCCCOc1ccc(Nc2ccc(C(=O)[O-])cc2C)cc1F ZINC001211623115 1033168061 /nfs/dbraw/zinc/16/80/61/1033168061.db2.gz XYPDRZKVIXFIAZ-UHFFFAOYSA-N -1 0 333.359 3.991 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)/C=C/c1ccc(Cl)cc1 ZINC000320341318 1023955780 /nfs/dbraw/zinc/95/57/80/1023955780.db2.gz OIKNJXCFQPCKLS-WCKKVKJMSA-N -1 0 333.815 3.598 20 0 EHADRM COCCc1ccc(S(=O)(=O)[N-]c2cccc3ccsc32)cc1 ZINC000443463653 1023986118 /nfs/dbraw/zinc/98/61/18/1023986118.db2.gz UMBLJMJRGXTPEU-UHFFFAOYSA-N -1 0 347.461 3.891 20 0 EHADRM CC[C@H](C)Cc1c(C)sc2nc(-c3ncc(C)cn3)[n-]c(=O)c12 ZINC000133651475 1023999364 /nfs/dbraw/zinc/99/93/64/1023999364.db2.gz MKYKKUVUSCLJEI-VIFPVBQESA-N -1 0 328.441 3.647 20 0 EHADRM CCc1nc(CNCc2c(F)cc(C)cc2Cl)ccc1C(=O)[O-] ZINC000417553613 1024014046 /nfs/dbraw/zinc/01/40/46/1024014046.db2.gz BDJCPNJLZRCTTM-UHFFFAOYSA-N -1 0 336.794 3.733 20 0 EHADRM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccccc1Cl ZINC000181659743 1024031102 /nfs/dbraw/zinc/03/11/02/1024031102.db2.gz CWYBBGWXRGMJOQ-UHFFFAOYSA-N -1 0 341.864 3.610 20 0 EHADRM Cc1ccc(-c2[n-][nH]c(=NC(=O)c3csc(CC(C)C)n3)c2C)o1 ZINC000434436559 1024044484 /nfs/dbraw/zinc/04/44/84/1024044484.db2.gz ILJWGHNKOZABHU-UHFFFAOYSA-N -1 0 344.440 3.616 20 0 EHADRM O=C(Cc1ccc(-c2ccccc2)cc1)N=c1ccc(C2CC2)n[n-]1 ZINC000522540236 1024049901 /nfs/dbraw/zinc/04/99/01/1024049901.db2.gz ZCJIZEXRPFLMRT-UHFFFAOYSA-N -1 0 329.403 3.624 20 0 EHADRM O=C([O-])C1(S(=O)(=O)c2ccc(-c3ccsc3)cc2)CCCC1 ZINC000657205116 1024085401 /nfs/dbraw/zinc/08/54/01/1024085401.db2.gz YFWZFRWOXVNCJP-UHFFFAOYSA-N -1 0 336.434 3.586 20 0 EHADRM CC(C)Oc1ccc(=NC(=O)c2ccccc2Cc2ccccc2)[n-]n1 ZINC000441563600 1024088127 /nfs/dbraw/zinc/08/81/27/1024088127.db2.gz JAXRIGFEHUEQBW-UHFFFAOYSA-N -1 0 347.418 3.529 20 0 EHADRM COCCOc1ccc(-c2ccc(OC(C)(C)C(=O)[O-])cc2)cc1 ZINC000657204300 1024105360 /nfs/dbraw/zinc/10/53/60/1024105360.db2.gz VFOKTCHREPWYQE-UHFFFAOYSA-N -1 0 330.380 3.621 20 0 EHADRM CC(C)(Oc1ccc(-c2cccc3c2OCCCO3)cc1)C(=O)[O-] ZINC000657206914 1024113225 /nfs/dbraw/zinc/11/32/25/1024113225.db2.gz COLUALZHEYENAE-UHFFFAOYSA-N -1 0 328.364 3.757 20 0 EHADRM C[C@@H](NC(=O)N=c1nc(C(C)(C)C)[n-]s1)C(C)(C)c1ccccc1 ZINC000522619577 1024119657 /nfs/dbraw/zinc/11/96/57/1024119657.db2.gz SQXKEGSPTBEZCA-GFCCVEGCSA-N -1 0 346.500 3.745 20 0 EHADRM CCC(=O)Nc1ccc(C)c(NC(=O)CC2(CC(=O)[O-])CCCC2)c1 ZINC000327035030 1024125412 /nfs/dbraw/zinc/12/54/12/1024125412.db2.gz SKZQYLDKKLMIIM-UHFFFAOYSA-N -1 0 346.427 3.707 20 0 EHADRM Cc1[nH]c2ccc(-c3ccc(C4(CO)CC4)cc3)cc2c1CC(=O)[O-] ZINC000657206751 1024129072 /nfs/dbraw/zinc/12/90/72/1024129072.db2.gz LRADACCTBHSXEP-UHFFFAOYSA-N -1 0 335.403 3.794 20 0 EHADRM CCOc1cc(CC(=O)[O-])c(-c2cc(C)ccc2CO)cc1OCC ZINC000657206879 1024129139 /nfs/dbraw/zinc/12/91/39/1024129139.db2.gz BYXCIOUYEVGMQW-UHFFFAOYSA-N -1 0 344.407 3.579 20 0 EHADRM COCCCOc1ccc(-c2ccc3[nH]cc(CC(=O)[O-])c3c2)cc1 ZINC000657207407 1024131229 /nfs/dbraw/zinc/13/12/29/1024131229.db2.gz PMQWHIAQUSDCOU-UHFFFAOYSA-N -1 0 339.391 3.877 20 0 EHADRM Cc1ccc([C@@H](C)N(C)C(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC000262196731 1024147149 /nfs/dbraw/zinc/14/71/49/1024147149.db2.gz OCGAJEZVMBVYIW-OAHLLOKOSA-N -1 0 325.408 3.845 20 0 EHADRM O=S(=O)([N-]c1ccnc(Cl)c1)c1cc(Cl)cc(Cl)c1 ZINC000226511626 1033190901 /nfs/dbraw/zinc/19/09/01/1033190901.db2.gz MIPJLPFPJPCVRM-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM CCCc1n[n-]c(=NC(=O)c2ccc(-c3ccc(C)o3)s2)s1 ZINC000514172925 1024198952 /nfs/dbraw/zinc/19/89/52/1024198952.db2.gz CNRIQMYBWAGLNF-UHFFFAOYSA-N -1 0 333.438 3.795 20 0 EHADRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc2[nH]c(C)cc2c1 ZINC000434627820 1024228280 /nfs/dbraw/zinc/22/82/80/1024228280.db2.gz OUKVIMAFYVDRDO-UHFFFAOYSA-N -1 0 344.436 3.903 20 0 EHADRM Cc1ccccc1S([O-])=CC(=O)N[C@H](C)c1ccccc1Cl ZINC000108090656 1024235017 /nfs/dbraw/zinc/23/50/17/1024235017.db2.gz ZYJQMRLJZQVXTE-MCMMXHMISA-N -1 0 335.856 3.633 20 0 EHADRM Cc1ccc2c(c1)CCN2C(=O)c1ccc(Br)cc1[O-] ZINC000091103746 1024292465 /nfs/dbraw/zinc/29/24/65/1024292465.db2.gz KAPRRVNZMAVDQQ-UHFFFAOYSA-N -1 0 332.197 3.666 20 0 EHADRM CCc1c(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)[nH]c(C)c1C(C)=O ZINC000614631053 1024297316 /nfs/dbraw/zinc/29/73/16/1024297316.db2.gz ZWLYQUCZXSRRHZ-UHFFFAOYSA-N -1 0 348.786 3.692 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC000191405623 1024306906 /nfs/dbraw/zinc/30/69/06/1024306906.db2.gz WVXCBJYRNBWHPA-GFCCVEGCSA-N -1 0 347.798 3.621 20 0 EHADRM CCC(=O)Nc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000614631201 1024310598 /nfs/dbraw/zinc/31/05/98/1024310598.db2.gz UGTWILUNRDVVSO-UHFFFAOYSA-N -1 0 346.770 3.639 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000472016784 1024312100 /nfs/dbraw/zinc/31/21/00/1024312100.db2.gz GWFFKPRBCXTOJN-OAHLLOKOSA-N -1 0 339.439 3.632 20 0 EHADRM CCC(CC)(CC(=O)Nc1ccc(Br)c(C)c1)C(=O)[O-] ZINC000011248007 1024315546 /nfs/dbraw/zinc/31/55/46/1024315546.db2.gz ITMLQXYMHCPWBX-UHFFFAOYSA-N -1 0 342.233 3.977 20 0 EHADRM CCOC(=O)c1cnc(NC(=O)[C@@H](c2cccc(Cl)c2)C(C)C)[n-]1 ZINC000510013714 1024384045 /nfs/dbraw/zinc/38/40/45/1024384045.db2.gz KLNCHTPAQFRDME-CQSZACIVSA-N -1 0 349.818 3.618 20 0 EHADRM COC(=O)c1ccc(NC(=O)c2cc(O)c3ccccc3c2)cc1C ZINC000472031949 1024402143 /nfs/dbraw/zinc/40/21/43/1024402143.db2.gz BBIMUAOGZQWCTN-UHFFFAOYSA-N -1 0 335.359 3.893 20 0 EHADRM CCN(C(=O)N(Cc1cccc(F)c1)[C@H](C(=O)[O-])C(C)C)C(C)C ZINC000548552220 1024412234 /nfs/dbraw/zinc/41/22/34/1024412234.db2.gz SVLPBIBUHGQYHE-INIZCTEOSA-N -1 0 338.423 3.587 20 0 EHADRM C[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000425235396 1024472802 /nfs/dbraw/zinc/47/28/02/1024472802.db2.gz CXYCMFDBWSVWGN-PWSUYJOCSA-N -1 0 325.792 3.568 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccccc2)n(C(C)(C)C)n1 ZINC000066242164 1024591903 /nfs/dbraw/zinc/59/19/03/1024591903.db2.gz PPSQNDPMGZSAKB-UHFFFAOYSA-N -1 0 335.473 3.736 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)n(C)n1 ZINC000066247771 1024592097 /nfs/dbraw/zinc/59/20/97/1024592097.db2.gz GGMZWMCJUVPDIL-UHFFFAOYSA-N -1 0 333.457 3.577 20 0 EHADRM CCCCCOc1cc(CN=c2[n-]nc(C)n2C2CC2)ccc1OC ZINC000340714450 1024636012 /nfs/dbraw/zinc/63/60/12/1024636012.db2.gz XWFHVULKMBVWRH-UHFFFAOYSA-N -1 0 344.459 3.533 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2Cc3ccccc3S2)cc(C(=O)[O-])c1C ZINC000320837178 1024670756 /nfs/dbraw/zinc/67/07/56/1024670756.db2.gz FQEOBEONKAYAQF-INIZCTEOSA-N -1 0 327.405 3.657 20 0 EHADRM C[C@H](CCNC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000327327535 1024691375 /nfs/dbraw/zinc/69/13/75/1024691375.db2.gz ABMGKXCJBFQGCQ-IIBYNOLFSA-N -1 0 339.435 3.729 20 0 EHADRM O=S(=O)([N-]c1noc2ccc(Cl)cc21)c1c(F)cccc1F ZINC000427655504 1024707518 /nfs/dbraw/zinc/70/75/18/1024707518.db2.gz RQSRHGDWMZXWFX-UHFFFAOYSA-N -1 0 344.726 3.560 20 0 EHADRM Cc1cc(NC(=O)c2cc3ccccc3c(=O)[nH]2)cc(C(=O)[O-])c1C ZINC000327351775 1024727201 /nfs/dbraw/zinc/72/72/01/1024727201.db2.gz IYBUKRZTMCOXKY-UHFFFAOYSA-N -1 0 336.347 3.508 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OC(F)F)c2)s1 ZINC000114674311 1024730974 /nfs/dbraw/zinc/73/09/74/1024730974.db2.gz NJYQTEPVBLBWJZ-UHFFFAOYSA-N -1 0 333.381 3.767 20 0 EHADRM Cc1cccc(S([O-])=CC(=O)N[C@H](c2ccccc2)C(C)C)c1 ZINC000108100683 1024749083 /nfs/dbraw/zinc/74/90/83/1024749083.db2.gz ZQMGAJXBCIKKKO-WMZHIEFXSA-N -1 0 329.465 3.616 20 0 EHADRM O=C([O-])CN(CCc1ccccc1)C(=O)c1csc2ccccc12 ZINC000427744104 1024761693 /nfs/dbraw/zinc/76/16/93/1024761693.db2.gz WWDWILYIFMXPSO-UHFFFAOYSA-N -1 0 339.416 3.671 20 0 EHADRM C[C@](CNC(=O)[C@H]1CCCC[C@H]1C1CC1)(C(=O)[O-])c1ccc(F)cc1 ZINC000514862980 1024795762 /nfs/dbraw/zinc/79/57/62/1024795762.db2.gz LPNUPVAXRISYSB-ABSDTBQOSA-N -1 0 347.430 3.501 20 0 EHADRM CCn1nc([N-]S(=O)(=O)c2csc3ccccc32)cc1C1CC1 ZINC000514879575 1024822573 /nfs/dbraw/zinc/82/25/73/1024822573.db2.gz HZNAVSVYTHOTSB-UHFFFAOYSA-N -1 0 347.465 3.796 20 0 EHADRM C[C@@H](NC(=O)c1ccc2ccccc2c1O)c1nc2ccccc2[nH]1 ZINC000327406997 1024829669 /nfs/dbraw/zinc/82/96/69/1024829669.db2.gz CZUUQROCUCSTRE-GFCCVEGCSA-N -1 0 331.375 3.913 20 0 EHADRM CC[C@@H](CC(=O)NCCCCCCC(=O)[O-])c1ccc(OC)cc1 ZINC000281334603 1024908894 /nfs/dbraw/zinc/90/88/94/1024908894.db2.gz LGJUOGZWHFQQMB-HNNXBMFYSA-N -1 0 335.444 3.730 20 0 EHADRM Cc1cc(Cl)c(NC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1Cl ZINC000399078758 1024913711 /nfs/dbraw/zinc/91/37/11/1024913711.db2.gz SOIHBXWYMCWERY-PSASIEDQSA-N -1 0 345.226 3.876 20 0 EHADRM CC(C)Cc1cc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)n[nH]1 ZINC000474423042 1024940328 /nfs/dbraw/zinc/94/03/28/1024940328.db2.gz YZJNZJMTXXYIFI-UHFFFAOYSA-N -1 0 348.255 3.716 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2cc(CC(C)(C)C)[nH]n2)cc1 ZINC000474430355 1024953975 /nfs/dbraw/zinc/95/39/75/1024953975.db2.gz GTHNCCVWXKWIGR-UHFFFAOYSA-N -1 0 339.486 3.521 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1cc(C2CCCCC2)[nH]n1 ZINC000474431480 1024956941 /nfs/dbraw/zinc/95/69/41/1024956941.db2.gz YVTHXZWPMBLQLK-UHFFFAOYSA-N -1 0 325.459 3.628 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1noc2cc(Cl)ccc21 ZINC000515010733 1024967660 /nfs/dbraw/zinc/96/76/60/1024967660.db2.gz XDLXSUYLGVBWCU-UHFFFAOYSA-N -1 0 336.800 3.844 20 0 EHADRM Fc1cc([C@@H]2C[C@H]2N=c2[n-]nc(-c3ccccn3)s2)ccc1Cl ZINC000435575179 1025009854 /nfs/dbraw/zinc/00/98/54/1025009854.db2.gz QKOHTXUTGWHPIR-IINYFYTJSA-N -1 0 346.818 3.783 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Cc2cccc(C(=O)[O-])c2)o1 ZINC000262152695 1025038877 /nfs/dbraw/zinc/03/88/77/1025038877.db2.gz JRYIGFUCERHKTE-DYVFJYSZSA-N -1 0 341.407 3.829 20 0 EHADRM CC(C)Oc1ccc([C@@H](C)NC(=O)N(C)C2(C(=O)[O-])CCCC2)cc1 ZINC000684724745 1025043618 /nfs/dbraw/zinc/04/36/18/1025043618.db2.gz IEXMKXZQUSRQDZ-CQSZACIVSA-N -1 0 348.443 3.574 20 0 EHADRM CCOc1cccc([C@@H](C)NC(=O)N(CC(=O)[O-])C2CCCCC2)c1 ZINC000684728098 1025071851 /nfs/dbraw/zinc/07/18/51/1025071851.db2.gz ZMERWUPKMFQHPB-CQSZACIVSA-N -1 0 348.443 3.575 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)N[C@@H]1CCCc2sccc21)C(=O)[O-] ZINC000684729522 1025075460 /nfs/dbraw/zinc/07/54/60/1025075460.db2.gz YQTWZKZTLKWGAS-CHWSQXEVSA-N -1 0 338.473 3.704 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000262155618 1025091864 /nfs/dbraw/zinc/09/18/64/1025091864.db2.gz OGYADCZUHJJDQE-QFBILLFUSA-N -1 0 339.435 3.773 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)N(CC(=O)[O-])C2CCCCC2)c1C ZINC000684734073 1025093751 /nfs/dbraw/zinc/09/37/51/1025093751.db2.gz DSZYHLVAUQAOJY-OAHLLOKOSA-N -1 0 332.444 3.793 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2cc(F)c(Cl)cc2Cl)cc1 ZINC000013261564 1025102388 /nfs/dbraw/zinc/10/23/88/1025102388.db2.gz DJBFTGCLWILRIA-UHFFFAOYSA-N -1 0 342.153 3.761 20 0 EHADRM C[C@@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccccc1C(F)(F)F ZINC000435719137 1025103517 /nfs/dbraw/zinc/10/35/17/1025103517.db2.gz IXLQNSZMOVYEDJ-IJLUTSLNSA-N -1 0 343.345 3.774 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1cnn(-c2ccccc2F)c1 ZINC000533965035 1033259091 /nfs/dbraw/zinc/25/90/91/1033259091.db2.gz CMWUGCAIMALYGH-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM Cc1cccnc1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435720160 1025104436 /nfs/dbraw/zinc/10/44/36/1025104436.db2.gz VVWWDVDKXNUKSF-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM COc1cc(C)c([N-]S(=O)(=O)c2ccc(Cl)s2)cc1C ZINC000435725519 1025109126 /nfs/dbraw/zinc/10/91/26/1025109126.db2.gz YACWDZWEUQBOEJ-UHFFFAOYSA-N -1 0 331.846 3.828 20 0 EHADRM CC1(C)CN(Cc2c([O-])nnn2-c2ccccc2)[C@H]1c1cccs1 ZINC000515247528 1025109811 /nfs/dbraw/zinc/10/98/11/1025109811.db2.gz LJBMCPGGLCTJGN-INIZCTEOSA-N -1 0 340.452 3.618 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1noc2cc(Cl)ccc21 ZINC000515249310 1025112125 /nfs/dbraw/zinc/11/21/25/1025112125.db2.gz HMUSAWBIVWQVPV-UHFFFAOYSA-N -1 0 340.763 3.730 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccccc1CCC(=O)[O-] ZINC000909550333 1025120280 /nfs/dbraw/zinc/12/02/80/1025120280.db2.gz CIYBJWNWPASOCU-CRAIPNDOSA-N -1 0 337.419 3.722 20 0 EHADRM COc1ccc(-c2ccccc2C)cc1CN=c1[n-]nc(C2CC2)o1 ZINC000520996727 1025164089 /nfs/dbraw/zinc/16/40/89/1025164089.db2.gz SOOXJTJNGFTLEZ-UHFFFAOYSA-N -1 0 335.407 3.965 20 0 EHADRM COC(=O)c1cccc2c(Nc3cc(C)cc(C(=O)[O-])c3)ccnc12 ZINC001211539301 1025172688 /nfs/dbraw/zinc/17/26/88/1025172688.db2.gz QAGVOIPJEFCTJZ-UHFFFAOYSA-N -1 0 336.347 3.772 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccccc3)s2)c(C)c1 ZINC000442115007 1025173955 /nfs/dbraw/zinc/17/39/55/1025173955.db2.gz SZBGUMBKWHIBER-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM CCCc1nc(=NC(=O)N2CC=C(c3cccc(C)c3)CC2)s[n-]1 ZINC000515333969 1025176845 /nfs/dbraw/zinc/17/68/45/1025176845.db2.gz JWBUASZTQYDMOO-UHFFFAOYSA-N -1 0 342.468 3.542 20 0 EHADRM O=C(N=c1nc(-c2ccccc2)[n-]s1)N(C1CC1)C1CCCC1 ZINC000531103415 1025196406 /nfs/dbraw/zinc/19/64/06/1025196406.db2.gz OGPZGQVXYBCTDU-UHFFFAOYSA-N -1 0 328.441 3.566 20 0 EHADRM O=C([O-])[C@H]1CCCCCN1C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000684748425 1025255857 /nfs/dbraw/zinc/25/58/57/1025255857.db2.gz LQGSWBPBJLMRLV-CYBMUJFWSA-N -1 0 344.333 3.653 20 0 EHADRM CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1 ZINC000442339774 1025275252 /nfs/dbraw/zinc/27/52/52/1025275252.db2.gz GSNAOZTUJICDOA-UHFFFAOYSA-N -1 0 347.436 3.788 20 0 EHADRM Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000436029632 1025314512 /nfs/dbraw/zinc/31/45/12/1025314512.db2.gz YFUNXBSZQNOMDS-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM C[C@@H]1CCC[C@H](C)N1C(=O)N1CCC[C@@H]1c1ccc(C(=O)[O-])s1 ZINC000548682948 1025340373 /nfs/dbraw/zinc/34/03/73/1025340373.db2.gz JZUDWXBKJRZUFR-FRRDWIJNSA-N -1 0 336.457 3.966 20 0 EHADRM O=C(N=c1nc(Sc2ccccc2)[n-]s1)c1ccc(F)cc1 ZINC000521360930 1025341282 /nfs/dbraw/zinc/34/12/82/1025341282.db2.gz OJZMYSKBZRMLBB-UHFFFAOYSA-N -1 0 331.397 3.503 20 0 EHADRM C[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])c1ccc(Br)s1 ZINC000442659030 1025414005 /nfs/dbraw/zinc/41/40/05/1025414005.db2.gz JZUGBYUALPDIQP-MRVPVSSYSA-N -1 0 348.262 3.579 20 0 EHADRM Clc1cc(Cl)cc(-c2n[n-]c(=NC3CCOCC3)s2)c1 ZINC000444083270 1025422900 /nfs/dbraw/zinc/42/29/00/1025422900.db2.gz BLYUBNVNXKAFLP-UHFFFAOYSA-N -1 0 330.240 3.525 20 0 EHADRM O=C([O-])CN(Cc1nc(-c2ccccc2Cl)cs1)C1CCC1 ZINC000515671273 1025457144 /nfs/dbraw/zinc/45/71/44/1025457144.db2.gz DAJCTAHSVDBUTH-UHFFFAOYSA-N -1 0 336.844 3.903 20 0 EHADRM C[C@@](O)(CN=c1[n-]nc(-c2cc(Cl)cc(Cl)c2)s1)C1CC1 ZINC000444090086 1025458804 /nfs/dbraw/zinc/45/88/04/1025458804.db2.gz YTABYEHIEXVZAF-CQSZACIVSA-N -1 0 344.267 3.507 20 0 EHADRM CCOc1ccc(CN=c2[n-]nc(-c3ccccc3)s2)cc1F ZINC000521574160 1025486767 /nfs/dbraw/zinc/48/67/67/1025486767.db2.gz CJCXGDLOSFTCCF-UHFFFAOYSA-N -1 0 329.400 3.777 20 0 EHADRM Cc1nc(-c2ccccc2)c([N-]S(=O)(=O)CCCCF)s1 ZINC000342439696 1025489794 /nfs/dbraw/zinc/48/97/94/1025489794.db2.gz AOVCAGNYRABULY-UHFFFAOYSA-N -1 0 328.434 3.610 20 0 EHADRM O=C(c1nn(-c2ccccc2)cc1[O-])N1CCCCc2sccc21 ZINC000684785190 1025506062 /nfs/dbraw/zinc/50/60/62/1025506062.db2.gz CWJADFKSXZLHCW-UHFFFAOYSA-N -1 0 339.420 3.623 20 0 EHADRM COc1ccccc1-c1cccc(NC(=O)C2(C(=O)[O-])CCCC2)c1 ZINC000582183239 1025540870 /nfs/dbraw/zinc/54/08/70/1025540870.db2.gz FZEWKJJDSLDEBL-UHFFFAOYSA-N -1 0 339.391 3.946 20 0 EHADRM Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000342445265 1025545229 /nfs/dbraw/zinc/54/52/29/1025545229.db2.gz WGTNVWJBCXZGFD-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM Cc1ccc(C(=O)N(CCc2ccccc2)Cc2ccncc2)c(O)c1 ZINC000102839237 1025550028 /nfs/dbraw/zinc/55/00/28/1025550028.db2.gz OMAFKTGTZLCTME-UHFFFAOYSA-N -1 0 346.430 3.981 20 0 EHADRM CC(C)(C)SCC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000262074536 1025610648 /nfs/dbraw/zinc/61/06/48/1025610648.db2.gz CVZSMQIFGWLOBA-LBPRGKRZSA-N -1 0 329.849 3.504 20 0 EHADRM CSc1ccc(NC(=O)N2CC[C@H](C)C[C@@H]2C(=O)[O-])cc1Cl ZINC000582219342 1025623348 /nfs/dbraw/zinc/62/33/48/1025623348.db2.gz KVRRESHSVRVDMU-JOYOIKCWSA-N -1 0 342.848 3.779 20 0 EHADRM O=S(=O)([N-]c1nc2ccsc2s1)c1ccccc1Cl ZINC000522821874 1025678207 /nfs/dbraw/zinc/67/82/07/1025678207.db2.gz PECZMYZETLJQDF-UHFFFAOYSA-N -1 0 330.843 3.812 20 0 EHADRM CC[C@@H](Oc1ccccc1F)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000262396419 1025686343 /nfs/dbraw/zinc/68/63/43/1025686343.db2.gz NAOHZRPXPTVUEW-MRXNPFEDSA-N -1 0 345.370 3.639 20 0 EHADRM CSCc1cccc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000521861279 1025738485 /nfs/dbraw/zinc/73/84/85/1025738485.db2.gz JKLWANIYKWVPFF-LJQANCHMSA-N -1 0 343.448 3.921 20 0 EHADRM C/C=C/C[C@H](NC(=O)N[C@H](C)c1oc2ccccc2c1C)C(=O)[O-] ZINC000582285233 1025764456 /nfs/dbraw/zinc/76/44/56/1025764456.db2.gz VJKKGCLPSZMHHE-JUGZCIIYSA-N -1 0 330.384 3.521 20 0 EHADRM C=Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)cc1 ZINC000436476928 1025771955 /nfs/dbraw/zinc/77/19/55/1025771955.db2.gz KJSKYWGWXWPFNH-UHFFFAOYSA-N -1 0 343.326 3.855 20 0 EHADRM CCCC[C@H](NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000347270461 1025775889 /nfs/dbraw/zinc/77/58/89/1025775889.db2.gz UFUCFILWXJRHCW-RISCZKNCSA-N -1 0 345.361 3.959 20 0 EHADRM O=C(Nc1nc(C(F)(F)F)c[nH]1)c1c([O-])cc(Cl)cc1Cl ZINC000436512865 1025806388 /nfs/dbraw/zinc/80/63/88/1025806388.db2.gz LCMWWWDDCGWZEX-UHFFFAOYSA-N -1 0 340.088 3.693 20 0 EHADRM COC(=O)c1ccc(O)c(NC(=O)C2(c3ccc(Cl)cc3)CC2)c1 ZINC000436511416 1025809372 /nfs/dbraw/zinc/80/93/72/1025809372.db2.gz VYMVZZWPWJWQLE-UHFFFAOYSA-N -1 0 345.782 3.503 20 0 EHADRM Cc1ccc(-n2cccn2)cc1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000530435365 1025828119 /nfs/dbraw/zinc/82/81/19/1025828119.db2.gz WNIMSMCMELYKEL-UHFFFAOYSA-N -1 0 341.411 3.544 20 0 EHADRM C[C@H](Cc1ccncc1)NC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436571945 1025901608 /nfs/dbraw/zinc/90/16/08/1025901608.db2.gz DNJKBZCNCYFJDQ-GFCCVEGCSA-N -1 0 340.810 3.955 20 0 EHADRM Cc1cc2n[nH]cc2cc1NC(=O)c1cccc(Br)c1[O-] ZINC000522052809 1025905816 /nfs/dbraw/zinc/90/58/16/1025905816.db2.gz YEDGEMVVDCXWIU-UHFFFAOYSA-N -1 0 346.184 3.592 20 0 EHADRM O=C(N[C@@H]1CC[C@H](c2ccccc2F)C1)c1cc(F)c([O-])c(F)c1 ZINC000436593142 1025910804 /nfs/dbraw/zinc/91/08/04/1025910804.db2.gz ASQPCXGWKRRUGK-CMPLNLGQSA-N -1 0 335.325 3.876 20 0 EHADRM O=C(c1ccc(F)cc1[O-])N1CCC(=Cc2ccccc2F)CC1 ZINC000436584247 1025925871 /nfs/dbraw/zinc/92/58/71/1025925871.db2.gz GXGDOQYKKFIZLS-UHFFFAOYSA-N -1 0 329.346 3.990 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N[C@H]2CCC[C@H]2c2ccccc2)s1 ZINC000522072404 1025938964 /nfs/dbraw/zinc/93/89/64/1025938964.db2.gz LVLBRGMEOIEFPB-GJZGRUSLSA-N -1 0 344.484 3.616 20 0 EHADRM C[C@@H]1C[C@H](C)CN(C(=O)c2cc(Cl)cc(Br)c2[O-])C1 ZINC000436625298 1025950272 /nfs/dbraw/zinc/95/02/72/1025950272.db2.gz DHWVQEPQAHSLJD-DTORHVGOSA-N -1 0 346.652 3.926 20 0 EHADRM CC(C)Oc1ccc([C@@H](C)NC(=O)C2=C(C(=O)[O-])CCCC2)cc1 ZINC000326911661 1025951003 /nfs/dbraw/zinc/95/10/03/1025951003.db2.gz OLPGBPDHHIYADO-CYBMUJFWSA-N -1 0 331.412 3.606 20 0 EHADRM Cc1cc(Nc2ccc(N3CCOCC3)c(Cl)c2)cc(C(=O)[O-])c1 ZINC001211542801 1025972675 /nfs/dbraw/zinc/97/26/75/1025972675.db2.gz QOBYSBOONCXUMR-UHFFFAOYSA-N -1 0 346.814 3.927 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc3nc(C4CC4)sc3c2)CCCC1 ZINC000516070866 1025972543 /nfs/dbraw/zinc/97/25/43/1025972543.db2.gz SBOPADIQEDMQIO-UHFFFAOYSA-N -1 0 330.409 3.757 20 0 EHADRM O=C(N=c1nc(-c2cccc(Cl)c2)[n-]s1)Nc1ccc(O)cc1 ZINC000443392128 1025980472 /nfs/dbraw/zinc/98/04/72/1025980472.db2.gz WGBUTEQIKWMUPF-UHFFFAOYSA-N -1 0 346.799 3.630 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)COc2ccsc2Cl)c1 ZINC000436653593 1025981347 /nfs/dbraw/zinc/98/13/47/1025981347.db2.gz BCCCEWZJQWPIGB-UHFFFAOYSA-N -1 0 339.800 3.717 20 0 EHADRM CNC(=O)c1ccc(-c2cc(OC(C)C)cc(C(=O)[O-])c2)cc1C ZINC000582371420 1025987523 /nfs/dbraw/zinc/98/75/23/1025987523.db2.gz YIOYHCHLFDNEHF-UHFFFAOYSA-N -1 0 327.380 3.507 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CCc2ncc(C(C)(C)C)o2)c1 ZINC000436643460 1025991906 /nfs/dbraw/zinc/99/19/06/1025991906.db2.gz FBBSXGWDPOYEGJ-UHFFFAOYSA-N -1 0 344.411 3.842 20 0 EHADRM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccccc3O)c2)n1 ZINC000443404187 1026001386 /nfs/dbraw/zinc/00/13/86/1026001386.db2.gz RJCXXJSAYMRMRZ-UHFFFAOYSA-N -1 0 346.433 3.625 20 0 EHADRM CN(Cc1c(F)cccc1F)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436662129 1026001551 /nfs/dbraw/zinc/00/15/51/1026001551.db2.gz FLFRZXLZIAEJMI-UHFFFAOYSA-N -1 0 329.705 3.735 20 0 EHADRM COc1nc2ccc(NC(=O)c3ccc([O-])c(Cl)c3)cc2s1 ZINC000436666211 1026004575 /nfs/dbraw/zinc/00/45/75/1026004575.db2.gz QBWPGSNRMOBNMF-UHFFFAOYSA-N -1 0 334.784 3.916 20 0 EHADRM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ncccc2C(C)C)c1 ZINC000443424655 1026020850 /nfs/dbraw/zinc/02/08/50/1026020850.db2.gz VRBRYJWNCXMOAW-UHFFFAOYSA-N -1 0 332.425 3.599 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cccc([C@H]3CCCOC3)c2)c1 ZINC000436678720 1026027736 /nfs/dbraw/zinc/02/77/36/1026027736.db2.gz HNYKXVOQZQZFRG-KRWDZBQOSA-N -1 0 339.391 3.741 20 0 EHADRM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)N=c1cc(C)c(C)n[n-]1 ZINC000467475653 1026028305 /nfs/dbraw/zinc/02/83/05/1026028305.db2.gz MFAXVBGYGMVLDW-SFHVURJKSA-N -1 0 326.444 3.685 20 0 EHADRM COCCN(C[C@H]1CC=CCC1)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436688672 1026044745 /nfs/dbraw/zinc/04/47/45/1026044745.db2.gz UQPBHOFYYPZSFH-LBPRGKRZSA-N -1 0 341.810 3.630 20 0 EHADRM CCCN(C(=O)NC[C@H](C(=O)[O-])C1CCC1)[C@@H]1CCc2ccccc21 ZINC000665326522 1026048352 /nfs/dbraw/zinc/04/83/52/1026048352.db2.gz ALJLYBFHTIMDMZ-ZWKOTPCHSA-N -1 0 344.455 3.596 20 0 EHADRM COC(=O)c1c(C)c(NC(=O)c2ccc(Cl)cc2[O-])ccc1F ZINC000436699643 1026061116 /nfs/dbraw/zinc/06/11/16/1026061116.db2.gz VXMVTZOXXKJHEB-UHFFFAOYSA-N -1 0 337.734 3.532 20 0 EHADRM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000665329544 1026067460 /nfs/dbraw/zinc/06/74/60/1026067460.db2.gz JYRLVWAEUWBEHJ-SWLSCSKDSA-N -1 0 344.411 3.636 20 0 EHADRM COc1ccnc(CNC(=O)c2cc(Cl)c3ccccc3c2[O-])c1 ZINC000436734509 1026099998 /nfs/dbraw/zinc/09/99/98/1026099998.db2.gz DNCYGUUQCRCRAJ-UHFFFAOYSA-N -1 0 342.782 3.532 20 0 EHADRM CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000436736422 1026101051 /nfs/dbraw/zinc/10/10/51/1026101051.db2.gz GSXYROSSSHCLDZ-QLJPJBMISA-N -1 0 337.778 3.691 20 0 EHADRM COc1cc(CCNC(=O)c2ccc([O-])c(Cl)c2)ccc1Cl ZINC000436749011 1026138463 /nfs/dbraw/zinc/13/84/63/1026138463.db2.gz QYDLCMOHSBZVPH-UHFFFAOYSA-N -1 0 340.206 3.680 20 0 EHADRM CCN(CC)C(=O)c1ccc(NC(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000436756868 1026146336 /nfs/dbraw/zinc/14/63/36/1026146336.db2.gz QVYGKJLIFVGDPS-UHFFFAOYSA-N -1 0 346.814 3.780 20 0 EHADRM CC(F)(F)CC[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451614156 1026173454 /nfs/dbraw/zinc/17/34/54/1026173454.db2.gz PFVFQXXRBLACNE-UHFFFAOYSA-N -1 0 339.816 3.878 20 0 EHADRM CCn1nc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cc1C1CC1 ZINC000530684980 1026199517 /nfs/dbraw/zinc/19/95/17/1026199517.db2.gz RPDIWFPLMPGNJU-UHFFFAOYSA-N -1 0 339.848 3.543 20 0 EHADRM CCOc1cc(CCCN=c2nc(C(C)C)[n-]s2)ccc1OC ZINC000530692602 1026207085 /nfs/dbraw/zinc/20/70/85/1026207085.db2.gz HEOPYBYWHCQFGY-UHFFFAOYSA-N -1 0 335.473 3.535 20 0 EHADRM CC(C)[C@@H]1CCCN(C(=O)N=c2nc(-c3ccsc3)[n-]s2)C1 ZINC000582428092 1026230627 /nfs/dbraw/zinc/23/06/27/1026230627.db2.gz QGNUJBTZYNDMGH-LLVKDONJSA-N -1 0 336.486 3.588 20 0 EHADRM C[C@@H](C(=O)[O-])N(C)C(=O)CCCc1ccc2c(c1)-c1ccccc1C2 ZINC000342577723 1026339450 /nfs/dbraw/zinc/33/94/50/1026339450.db2.gz VBKCYJWVZLEFOZ-AWEZNQCLSA-N -1 0 337.419 3.512 20 0 EHADRM CCN1C(=O)CCc2cc(NC(=O)c3c([O-])cccc3Cl)ccc21 ZINC000760108223 1026401648 /nfs/dbraw/zinc/40/16/48/1026401648.db2.gz GTAGHLXAKMDQGS-UHFFFAOYSA-N -1 0 344.798 3.597 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cccnc2C(F)(F)F)cc1C ZINC000582491867 1026417747 /nfs/dbraw/zinc/41/77/47/1026417747.db2.gz LHVWWNAGHZZNJE-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM O=S(=O)([N-]c1nccn1-c1ccccc1)c1ccc(C(F)F)cc1 ZINC000342596593 1026421491 /nfs/dbraw/zinc/42/14/91/1026421491.db2.gz YAHAKFNXSSYXPD-UHFFFAOYSA-N -1 0 349.362 3.611 20 0 EHADRM CCC(C)(C)N(C)C(=O)N(Cc1ccccc1)[C@@H](C(=O)[O-])C1CC1 ZINC000684896554 1026445067 /nfs/dbraw/zinc/44/50/67/1026445067.db2.gz XLNUHMRCFNOUJE-MRXNPFEDSA-N -1 0 332.444 3.592 20 0 EHADRM CC[C@H]1CCCN(C(=O)c2nn(-c3cccc(C(C)C)c3)cc2[O-])C1 ZINC000530986569 1026458263 /nfs/dbraw/zinc/45/82/63/1026458263.db2.gz SWADBBAATYQGDH-HNNXBMFYSA-N -1 0 341.455 3.964 20 0 EHADRM [O-]c1c(F)c(F)ccc1NC(=S)NCCCCC(F)(F)F ZINC000840838569 1026488360 /nfs/dbraw/zinc/48/83/60/1026488360.db2.gz HIOUQAKMADVEDN-UHFFFAOYSA-N -1 0 328.306 3.689 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@@H](Cc2ccccc2)c2cccs2)CCC1 ZINC000262488961 1026605033 /nfs/dbraw/zinc/60/50/33/1026605033.db2.gz IXDOJEYLEOBNKZ-HNNXBMFYSA-N -1 0 343.448 3.793 20 0 EHADRM CC[C@H](Cc1ccccc1)NC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000909579898 1026657617 /nfs/dbraw/zinc/65/76/17/1026657617.db2.gz KHLIWEYWAYZHQO-PBPGXSGUSA-N -1 0 329.440 3.549 20 0 EHADRM CCOC(=O)N(C)CCCC(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000897273183 1026661301 /nfs/dbraw/zinc/66/13/01/1026661301.db2.gz OIQWNFWCEPTXFX-UHFFFAOYSA-N -1 0 349.214 3.506 20 0 EHADRM CCOC(=O)Cc1ccc(F)c(Nc2cc(C)cc(C(=O)[O-])c2)c1 ZINC001211549925 1026685025 /nfs/dbraw/zinc/68/50/25/1026685025.db2.gz QGZSAIILEMWYOK-UHFFFAOYSA-N -1 0 331.343 3.682 20 0 EHADRM C[C@H](C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000564977540 1026907189 /nfs/dbraw/zinc/90/71/89/1026907189.db2.gz GAIYNFCMEHXVSX-JFGNBEQYSA-N -1 0 344.238 3.666 20 0 EHADRM O=C([O-])c1ccc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)c(Cl)c1 ZINC000783685421 1026920962 /nfs/dbraw/zinc/92/09/62/1026920962.db2.gz XMLDVEVTVALCDU-RIYZIHGNSA-N -1 0 345.713 3.522 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCc1ccc(C(F)F)cc1)c1ccccc1 ZINC000630097238 1026967708 /nfs/dbraw/zinc/96/77/08/1026967708.db2.gz HMGHADIVJXJEJQ-MRXNPFEDSA-N -1 0 347.361 3.889 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2cc(C)c(C)s2)cc1C ZINC000342780504 1027026456 /nfs/dbraw/zinc/02/64/56/1027026456.db2.gz LXZOSUHAUHETEG-JTQLQIEISA-N -1 0 327.475 3.642 20 0 EHADRM CO[C@H](C)CCC(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000273032110 1027236781 /nfs/dbraw/zinc/23/67/81/1027236781.db2.gz FSRRUEFEFFPOKZ-SSDOTTSWSA-N -1 0 336.613 3.562 20 0 EHADRM CC[C@@H](c1n[n-]c(=NCc2ncc(C)s2)s1)c1ccccc1 ZINC000453046013 1027256402 /nfs/dbraw/zinc/25/64/02/1027256402.db2.gz LBIOEMGSLQHTNN-CYBMUJFWSA-N -1 0 330.482 3.879 20 0 EHADRM CC(C)C[C@H](NC(=O)Cc1coc2ccc3ccccc3c12)C(=O)[O-] ZINC000531745806 1027301393 /nfs/dbraw/zinc/30/13/93/1027301393.db2.gz NLMYBZBXTSLEIN-INIZCTEOSA-N -1 0 339.391 3.744 20 0 EHADRM CC(C)Sc1ccc([C@@H](C)NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000414442645 1027360878 /nfs/dbraw/zinc/36/08/78/1027360878.db2.gz HBFHNXLAZFHRMV-YUELXQCFSA-N -1 0 335.469 3.865 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c2ccccc21 ZINC000392043370 1027406419 /nfs/dbraw/zinc/40/64/19/1027406419.db2.gz GJKKDQXXZFAYCS-KCYZZUKISA-N -1 0 327.424 3.808 20 0 EHADRM COc1ccccc1-c1n[n-]c(=NCc2ccc(SC)cc2)o1 ZINC000428354630 1027443849 /nfs/dbraw/zinc/44/38/49/1027443849.db2.gz YYVGQYVHULSFER-UHFFFAOYSA-N -1 0 327.409 3.501 20 0 EHADRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)c1cc(Cl)sc1Cl ZINC000224790973 1027533318 /nfs/dbraw/zinc/53/33/18/1027533318.db2.gz FIKJNSMMZYJDAY-APPZFPTMSA-N -1 0 336.240 3.818 20 0 EHADRM CN(CCc1ccc(Cl)cc1)C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000521464417 1027544620 /nfs/dbraw/zinc/54/46/20/1027544620.db2.gz VUMORMITRXZMDU-UHFFFAOYSA-N -1 0 337.847 3.622 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)s1 ZINC000475519162 1027558968 /nfs/dbraw/zinc/55/89/68/1027558968.db2.gz BTETUDCIKBMPRD-TZMCWYRMSA-N -1 0 348.447 3.509 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N2Cc3cccc(F)c3C2)s1 ZINC000459319295 1027559866 /nfs/dbraw/zinc/55/98/66/1027559866.db2.gz DDBCVANWUKJCFD-UHFFFAOYSA-N -1 0 334.420 3.550 20 0 EHADRM CCN(CCc1cccs1)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000277877041 1027568732 /nfs/dbraw/zinc/56/87/32/1027568732.db2.gz KRGBBMGHIZKCMO-UHFFFAOYSA-N -1 0 327.808 3.951 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)c(C)cc1Cl ZINC000475525315 1027572530 /nfs/dbraw/zinc/57/25/30/1027572530.db2.gz JCYUEEFLTHPOQU-UHFFFAOYSA-N -1 0 343.770 3.552 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)C2(Oc3ccccc3F)CC2)c1 ZINC000414462527 1027642298 /nfs/dbraw/zinc/64/22/98/1027642298.db2.gz ZSHRSJBHNHFJEJ-GFCCVEGCSA-N -1 0 343.354 3.564 20 0 EHADRM c1ccc([C@H]2OCC[C@@H]2CN=c2nc(C3CCCC3)[n-]s2)cc1 ZINC000420613792 1027645490 /nfs/dbraw/zinc/64/54/90/1027645490.db2.gz TXLORQJQDVVJQQ-HZPDHXFCSA-N -1 0 329.469 3.807 20 0 EHADRM C[C@H](Sc1n[n-]c(=NC2CCCCC2)s1)C(=O)OC(C)(C)C ZINC000609960457 1027653146 /nfs/dbraw/zinc/65/31/46/1027653146.db2.gz QLPFPBGZAXQYPU-JTQLQIEISA-N -1 0 343.518 3.527 20 0 EHADRM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC000349783076 1027684025 /nfs/dbraw/zinc/68/40/25/1027684025.db2.gz JCZGJRBAMDUPQG-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM Cc1cc(N=c2[n-]nc(C(F)F)s2)cnc1N1CCCC[C@H]1C ZINC000503276426 1027700782 /nfs/dbraw/zinc/70/07/82/1027700782.db2.gz QUVJXHFXWNPRDN-SNVBAGLBSA-N -1 0 339.415 3.723 20 0 EHADRM CC(C)[C@@H](NC(=O)c1cc(=O)n(C)[n-]1)c1ccc(C(C)(C)C)cc1 ZINC000665819027 1027715645 /nfs/dbraw/zinc/71/56/45/1027715645.db2.gz ZLAGMQDVJXGTDA-QGZVFWFLSA-N -1 0 329.444 3.550 20 0 EHADRM CN(CC(=O)[O-])c1ccc(-c2nc(-c3ccccc3Cl)no2)cc1 ZINC001211942457 1027757967 /nfs/dbraw/zinc/75/79/67/1027757967.db2.gz MYQWAYAGDVGISL-UHFFFAOYSA-N -1 0 343.770 3.578 20 0 EHADRM CCSCc1cccc(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)c1 ZINC000422543454 1027784734 /nfs/dbraw/zinc/78/47/34/1027784734.db2.gz RZAZMPRAGKQMPN-GXTWGEPZSA-N -1 0 336.457 3.514 20 0 EHADRM CC(C)[C@@H](Sc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])s1 ZINC000422563509 1027793558 /nfs/dbraw/zinc/79/35/58/1027793558.db2.gz GARKIACMPFAONZ-OAHLLOKOSA-N -1 0 349.477 3.879 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)c1cccc(OC2CCCCC2)c1 ZINC000422579152 1027805644 /nfs/dbraw/zinc/80/56/44/1027805644.db2.gz GXCPPXBJCDWQAE-RDTXWAMCSA-N -1 0 345.439 3.723 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000422581453 1027808023 /nfs/dbraw/zinc/80/80/23/1027808023.db2.gz PXTKIFVGCWYIJY-CZUORRHYSA-N -1 0 335.403 3.583 20 0 EHADRM Cc1cc(=NC(=O)N[C@@H](C)c2ccc(SC(C)C)cc2)[n-]nc1C ZINC000467485687 1027829940 /nfs/dbraw/zinc/82/99/40/1027829940.db2.gz OORIATDGESBACK-AWEZNQCLSA-N -1 0 344.484 3.899 20 0 EHADRM COc1ccnc2c([N-]S(=O)(=O)c3cc(C)ccc3C)cccc12 ZINC000536609664 1027831600 /nfs/dbraw/zinc/83/16/00/1027831600.db2.gz FAUIYXKBZYZRHT-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CNC(=O)N=c2ccc(-c3ccccc3)n[n-]2)o1 ZINC000533452135 1027886681 /nfs/dbraw/zinc/88/66/81/1027886681.db2.gz NLISGDOGRQRIFX-XJKSGUPXSA-N -1 0 348.406 3.604 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c(F)c1 ZINC000653473549 1027921249 /nfs/dbraw/zinc/92/12/49/1027921249.db2.gz FHJLOULXQLFEKH-LSDHHAIUSA-N -1 0 349.402 3.856 20 0 EHADRM COc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000614866008 1027940533 /nfs/dbraw/zinc/94/05/33/1027940533.db2.gz OAWZDTBAFPNICB-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CC(C)c1nc(C=Cc2nc(-c3ccccc3)c[nH]2)ncc1C(=O)[O-] ZINC000193136480 1028088744 /nfs/dbraw/zinc/08/87/44/1028088744.db2.gz SMRDZRVPCZAWOF-CMDGGOBGSA-N -1 0 334.379 3.859 20 0 EHADRM Cc1ccc(-c2ncco2)cc1NS(=O)(=O)c1ccc(F)c(C)c1 ZINC000134678109 1028138142 /nfs/dbraw/zinc/13/81/42/1028138142.db2.gz NVKLIRGAPXFKOW-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000614838759 1028157710 /nfs/dbraw/zinc/15/77/10/1028157710.db2.gz ITLRKZNOYREZAO-UHFFFAOYSA-N -1 0 335.400 3.514 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2c(C)cccc2Cl)nn1C(C)C ZINC000421187367 1028163169 /nfs/dbraw/zinc/16/31/69/1028163169.db2.gz VQPJIZMDBZLNRK-UHFFFAOYSA-N -1 0 327.837 3.535 20 0 EHADRM COC(=O)c1c(F)ccc(Nc2cc(Cl)cc(C(=O)[O-])c2)c1F ZINC001211966571 1028286086 /nfs/dbraw/zinc/28/60/86/1028286086.db2.gz FTBAOSQKAXBJFU-UHFFFAOYSA-N -1 0 341.697 3.847 20 0 EHADRM CCc1n[n-]c(=NC(=O)N2CCC[C@H](C)[C@H]2c2ccc(C)cc2)s1 ZINC000523439215 1028334261 /nfs/dbraw/zinc/33/42/61/1028334261.db2.gz OIMFPCRVGJMBDF-BBRMVZONSA-N -1 0 344.484 3.836 20 0 EHADRM NC(=O)c1ccc(Cl)cc1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211967230 1028336404 /nfs/dbraw/zinc/33/64/04/1028336404.db2.gz XCQPMUWFDXIANY-UHFFFAOYSA-N -1 0 325.151 3.534 20 0 EHADRM CCc1n[n-]c(=NC(=O)N2CCC[C@H](C)[C@@H]2c2ccc(C)cc2)s1 ZINC000523439218 1028336920 /nfs/dbraw/zinc/33/69/20/1028336920.db2.gz OIMFPCRVGJMBDF-XJKSGUPXSA-N -1 0 344.484 3.836 20 0 EHADRM COc1cc(O)cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)c1 ZINC000504017755 1028339202 /nfs/dbraw/zinc/33/92/02/1028339202.db2.gz BJHFPOPDTRWLJW-UHFFFAOYSA-N -1 0 341.454 3.561 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc([O-])c(Cl)c2)C[C@H](c2ccccc2)O1 ZINC000067860251 1028377480 /nfs/dbraw/zinc/37/74/80/1028377480.db2.gz VWORUAQGJSHHTP-YVEFUNNKSA-N -1 0 331.799 3.648 20 0 EHADRM CCc1ncsc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000161972013 1028387335 /nfs/dbraw/zinc/38/73/35/1028387335.db2.gz YFTVSCFSUYMUEC-UHFFFAOYSA-N -1 0 336.360 3.525 20 0 EHADRM Fc1ccc(Cc2n[n-]c(=N[C@@H]3CSc4ccccc43)s2)cc1 ZINC000544394483 1028421162 /nfs/dbraw/zinc/42/11/62/1028421162.db2.gz JUEFDJJWQXLEAX-CQSZACIVSA-N -1 0 343.452 3.949 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)c1cc(F)c(Cl)cc1Cl)C(=O)[O-] ZINC000401349483 1028427049 /nfs/dbraw/zinc/42/70/49/1028427049.db2.gz OQPWLSRIUUWXGI-LLVKDONJSA-N -1 0 336.190 3.752 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Cn1ccc2ccc(Cl)cc21 ZINC000237930458 1028441342 /nfs/dbraw/zinc/44/13/42/1028441342.db2.gz YZSQTZSVSVWTLK-HNNXBMFYSA-N -1 0 348.830 3.541 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C1 ZINC000237971059 1028539031 /nfs/dbraw/zinc/53/90/31/1028539031.db2.gz LUJDSDJXIHZJTD-ZDUSSCGKSA-N -1 0 345.370 3.803 20 0 EHADRM CC(C)C[C@H](NC(=O)c1cccc(OCc2cccs2)c1)C(=O)[O-] ZINC000236637072 1028559531 /nfs/dbraw/zinc/55/95/31/1028559531.db2.gz BVJIJKYOCJMYFR-INIZCTEOSA-N -1 0 347.436 3.556 20 0 EHADRM CCOc1ncccc1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000237008279 1028617978 /nfs/dbraw/zinc/61/79/78/1028617978.db2.gz NINOLPQRGHKSAK-UHFFFAOYSA-N -1 0 342.376 3.646 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])s1)c1nc(C(C)(C)C)cs1 ZINC000237524812 1028653848 /nfs/dbraw/zinc/65/38/48/1028653848.db2.gz XMBOBDMYOQQFIG-MRVPVSSYSA-N -1 0 338.454 3.691 20 0 EHADRM C[C@H](Sc1ccccc1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000237547334 1028656174 /nfs/dbraw/zinc/65/61/74/1028656174.db2.gz SEXVENMGZDOMNV-ZDUSSCGKSA-N -1 0 329.421 3.823 20 0 EHADRM O=C(Nc1nnc(/C=C\c2ccco2)s1)c1ccc(Cl)c([O-])c1 ZINC001167651560 1028658160 /nfs/dbraw/zinc/65/81/60/1028658160.db2.gz RZWLNNSZKKTSPB-XQRVVYSFSA-N -1 0 347.783 3.913 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)Cc1c(F)cccc1Cl ZINC000237651958 1028659960 /nfs/dbraw/zinc/65/99/60/1028659960.db2.gz ZSNOCFCCOGSOTG-INIZCTEOSA-N -1 0 349.789 3.662 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H](c2cccc(F)c2)C2CCCC2)cn1 ZINC000238035363 1028673339 /nfs/dbraw/zinc/67/33/39/1028673339.db2.gz ZKJGWBRSCKQDDT-QGZVFWFLSA-N -1 0 342.370 3.580 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000238082719 1028675716 /nfs/dbraw/zinc/67/57/16/1028675716.db2.gz YKSILBNQIFHTKK-ZIAGYGMSSA-N -1 0 329.783 3.709 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)N[C@@H](c2cccs2)C2CC2)s[n-]1 ZINC000523930665 1028721313 /nfs/dbraw/zinc/72/13/13/1028721313.db2.gz VTCKOIFXBDIXLK-LLVKDONJSA-N -1 0 336.486 3.592 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)N[C@H](c2cccs2)C2CC2)s[n-]1 ZINC000523930666 1028721730 /nfs/dbraw/zinc/72/17/30/1028721730.db2.gz VTCKOIFXBDIXLK-NSHDSACASA-N -1 0 336.486 3.592 20 0 EHADRM CN(C(=O)N=c1nc(C(C)(C)C)[n-]s1)[C@H]1CCCc2ccccc21 ZINC000523930955 1028722109 /nfs/dbraw/zinc/72/21/09/1028722109.db2.gz DQPWUPGBVYTNIG-AWEZNQCLSA-N -1 0 344.484 3.799 20 0 EHADRM O=C([O-])[C@@H](Cc1ccco1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000583077547 1028747255 /nfs/dbraw/zinc/74/72/55/1028747255.db2.gz LABMOTAYWCVJIW-MRXNPFEDSA-N -1 0 345.782 3.979 20 0 EHADRM C[C@]1(C(=O)Nc2cc(Cl)cc(Br)c2[O-])CC1(F)F ZINC000421792116 1028800118 /nfs/dbraw/zinc/80/01/18/1028800118.db2.gz MSYALQNTKZLTBM-SNVBAGLBSA-N -1 0 340.551 3.792 20 0 EHADRM Oc1ccc(-c2noc(CCOCc3ccccc3)n2)c(Cl)c1 ZINC000445443253 1028800405 /nfs/dbraw/zinc/80/04/05/1028800405.db2.gz FYKYJGSEMUQDDP-UHFFFAOYSA-N -1 0 330.771 3.855 20 0 EHADRM CC[C@H](Cc1ccc(NCc2nn(C)c(C)c2Cl)cc1)C(=O)[O-] ZINC000421816827 1028833710 /nfs/dbraw/zinc/83/37/10/1028833710.db2.gz RBQHJNIZEFBCTI-CYBMUJFWSA-N -1 0 335.835 3.647 20 0 EHADRM Cc1c(Cl)c(CNc2ccc(S[C@H](C)C(=O)[O-])cc2)nn1C ZINC000421816323 1028835713 /nfs/dbraw/zinc/83/57/13/1028835713.db2.gz PKJCCLPKCYQZLS-SNVBAGLBSA-N -1 0 339.848 3.559 20 0 EHADRM C[C@H](Sc1n[n-]c(=NCCc2cccs2)s1)c1cccnc1 ZINC000524115479 1028883107 /nfs/dbraw/zinc/88/31/07/1028883107.db2.gz WDLUFSNXWVLHQE-NSHDSACASA-N -1 0 348.522 3.924 20 0 EHADRM C[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)[C@@H]1C(=O)[O-] ZINC000424260724 1028916046 /nfs/dbraw/zinc/91/60/46/1028916046.db2.gz PMDWQAPLNOQNHO-BZNIZROVSA-N -1 0 347.798 3.925 20 0 EHADRM CC1(C)CN(C(=O)N=c2nc(-c3ccsc3)[n-]s2)[C@H]2CCC[C@H]21 ZINC000583127294 1028916618 /nfs/dbraw/zinc/91/66/18/1028916618.db2.gz ZRZGGBHIVOTQLT-NEPJUHHUSA-N -1 0 348.497 3.731 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000262233291 1028939065 /nfs/dbraw/zinc/93/90/65/1028939065.db2.gz SQFPCICHJFBVAY-LJQANCHMSA-N -1 0 341.382 3.724 20 0 EHADRM CC1(C)CCCC[C@@H]1CC(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000502981044 1028941506 /nfs/dbraw/zinc/94/15/06/1028941506.db2.gz ISPRKJQIDLQNFE-CYBMUJFWSA-N -1 0 329.400 3.575 20 0 EHADRM [O-]c1ccc(Cl)cc1-c1nc(CCc2ccc3c(c2)CCO3)no1 ZINC000445603682 1028966076 /nfs/dbraw/zinc/96/60/76/1028966076.db2.gz GEJFWVBOQFJPLN-UHFFFAOYSA-N -1 0 342.782 3.816 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC[C@H](CC(F)(F)F)C1 ZINC000421959814 1028967500 /nfs/dbraw/zinc/96/75/00/1028967500.db2.gz KFKVPQOPSYROGB-MRVPVSSYSA-N -1 0 339.716 3.989 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000246751601 1028995004 /nfs/dbraw/zinc/99/50/04/1028995004.db2.gz HFCKIVMQZYZBBZ-IPMKNSEASA-N -1 0 337.419 3.821 20 0 EHADRM CCSc1cccc(CN[C@@H](C(=O)[O-])c2c(F)cccc2F)c1 ZINC000426739257 1029014603 /nfs/dbraw/zinc/01/46/03/1029014603.db2.gz AYIBPKCEPPVUEH-MRXNPFEDSA-N -1 0 337.391 3.992 20 0 EHADRM CC(C)C[C@H](CNC(=O)N[C@@H](C)c1cc2ccccc2o1)C(=O)[O-] ZINC000424385554 1029038836 /nfs/dbraw/zinc/03/88/36/1029038836.db2.gz GPVONALQGKXKOJ-GXTWGEPZSA-N -1 0 332.400 3.540 20 0 EHADRM COc1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000424425723 1029048271 /nfs/dbraw/zinc/04/82/71/1029048271.db2.gz ZJMVIOSHVMKLMT-RNCFNFMXSA-N -1 0 332.227 3.687 20 0 EHADRM Cc1ccc(N2CCC(C(=O)Nc3cccc(Cl)c3[O-])CC2)nc1 ZINC000077012783 1029071394 /nfs/dbraw/zinc/07/13/94/1029071394.db2.gz DSNGMKFYCFLDQW-UHFFFAOYSA-N -1 0 345.830 3.604 20 0 EHADRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccn(-c2ccccc2)n1 ZINC000505002113 1029102253 /nfs/dbraw/zinc/10/22/53/1029102253.db2.gz CPGKTWZZIGRYDI-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM C[C@@H](O[C@@H](C)C(=O)Nc1ccccc1SC1CCCC1)C(=O)[O-] ZINC000634863492 1029119117 /nfs/dbraw/zinc/11/91/17/1029119117.db2.gz IWXKPYVNVICCBV-NWDGAFQWSA-N -1 0 337.441 3.538 20 0 EHADRM CCCCS[C@@H](C)C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000271898205 1029220390 /nfs/dbraw/zinc/22/03/90/1029220390.db2.gz WYJKPKDRIVYTQU-ZDUSSCGKSA-N -1 0 339.457 3.791 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)CCCOc1ccccc1F ZINC000271968034 1029250559 /nfs/dbraw/zinc/25/05/59/1029250559.db2.gz PTGRUSHUNQTEMR-UHFFFAOYSA-N -1 0 339.407 3.526 20 0 EHADRM O=C([O-])Cc1cc(-c2ccccc2OC[C@@H]2CCOC2)ccc1F ZINC000583214884 1029283643 /nfs/dbraw/zinc/28/36/43/1029283643.db2.gz JSXPJQTWXJOSHR-CYBMUJFWSA-N -1 0 330.355 3.535 20 0 EHADRM Cc1cc(C(=O)NC[C@@H](C)CC(=O)[O-])sc1-c1ccc(F)cc1 ZINC000262254256 1029289332 /nfs/dbraw/zinc/28/93/32/1029289332.db2.gz SQKFOIXRRJYOHE-JTQLQIEISA-N -1 0 335.400 3.703 20 0 EHADRM CCC(CC)(CC(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)[O-] ZINC000634887364 1029377091 /nfs/dbraw/zinc/37/70/91/1029377091.db2.gz FNJIGBZMFOABTL-ZDUSSCGKSA-N -1 0 344.411 3.800 20 0 EHADRM O=C(N=c1[n-]nc(C(F)F)s1)N1CCC[C@@H]1CCC1CCCC1 ZINC000533181265 1029418898 /nfs/dbraw/zinc/41/88/98/1029418898.db2.gz CVKVWTZDBZJBNQ-LLVKDONJSA-N -1 0 344.431 3.864 20 0 EHADRM CCc1oc(C(=O)N2C[C@H](c3ccccc3)C[C@H]2C)cc1C(=O)[O-] ZINC000261601654 1029458975 /nfs/dbraw/zinc/45/89/75/1029458975.db2.gz BVZYZOBJSZBGAJ-TZMCWYRMSA-N -1 0 327.380 3.558 20 0 EHADRM CC(C)c1noc([C@H](C)N2CCC(C(=O)c3ccc(O)cc3)CC2)n1 ZINC000078901017 1029498267 /nfs/dbraw/zinc/49/82/67/1029498267.db2.gz UWVLAUUDKMRAOZ-ZDUSSCGKSA-N -1 0 343.427 3.555 20 0 EHADRM COCCN(C(=O)c1cccc(C(F)(F)F)c1[O-])[C@@H]1CC[C@H](C)C1 ZINC000583272903 1029500945 /nfs/dbraw/zinc/50/09/45/1029500945.db2.gz YNPGGQNAOFUJGD-NWDGAFQWSA-N -1 0 345.361 3.688 20 0 EHADRM OCCC[C@H](N=c1[n-]nc(-c2ccccc2)s1)c1ccccc1 ZINC000524841172 1029553494 /nfs/dbraw/zinc/55/34/94/1029553494.db2.gz BTWIZMUEHLMQBN-INIZCTEOSA-N -1 0 325.437 3.553 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)CN(CC(=O)[O-])c1ccccc1 ZINC000262306315 1029583242 /nfs/dbraw/zinc/58/32/42/1029583242.db2.gz RMGUYKDSDKXVLI-UHFFFAOYSA-N -1 0 340.423 3.514 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)NCCCCCC(=O)[O-] ZINC000192871896 1029610925 /nfs/dbraw/zinc/61/09/25/1029610925.db2.gz FOBDLFCFUSOZJE-UHFFFAOYSA-N -1 0 329.849 3.827 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccccc2Oc2ccccc2)C1 ZINC000262834500 1029642790 /nfs/dbraw/zinc/64/27/90/1029642790.db2.gz BXNZIUKXXJOYFW-HXUWFJFHSA-N -1 0 339.391 3.806 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCC[N@@H+]1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000263035545 1029659310 /nfs/dbraw/zinc/65/93/10/1029659310.db2.gz HXRUZCLCIWJQAU-MWLCHTKSSA-N -1 0 333.762 3.627 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000263051794 1029660885 /nfs/dbraw/zinc/66/08/85/1029660885.db2.gz DZETXYQVULFUGK-KBXCAEBGSA-N -1 0 341.407 3.979 20 0 EHADRM Cc1c(Cl)cc(F)c(NC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c1F ZINC000263086127 1029664585 /nfs/dbraw/zinc/66/45/85/1029664585.db2.gz IJDFTWBQTJVPJH-APPZFPTMSA-N -1 0 346.761 3.501 20 0 EHADRM COCc1cc(NC(=O)[C@@H](C)OC2CCCCCC2)cc(C(=O)[O-])c1 ZINC000263102641 1029667867 /nfs/dbraw/zinc/66/78/67/1029667867.db2.gz OLWNQPMKWVLNIF-CYBMUJFWSA-N -1 0 349.427 3.598 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])s1 ZINC000263146940 1029668933 /nfs/dbraw/zinc/66/89/33/1029668933.db2.gz HEHYYRZJRHFTLL-CYBMUJFWSA-N -1 0 335.450 3.633 20 0 EHADRM Cc1cc2ccccc2c(NC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1 ZINC000263156344 1029669978 /nfs/dbraw/zinc/66/99/78/1029669978.db2.gz PYLSYSLQPKRWQF-UKRRQHHQSA-N -1 0 326.396 3.723 20 0 EHADRM CCC[C@@H](CNC(=O)c1sccc1-c1ccc(C)cc1)C(=O)[O-] ZINC000263198383 1029673399 /nfs/dbraw/zinc/67/33/99/1029673399.db2.gz NIPUUHBXOJLJEA-AWEZNQCLSA-N -1 0 331.437 3.954 20 0 EHADRM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000263212902 1029674324 /nfs/dbraw/zinc/67/43/24/1029674324.db2.gz NSCVCAPAXQEOID-QWHCGFSZSA-N -1 0 333.384 3.565 20 0 EHADRM CCC[C@H](CNC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000263257319 1029680709 /nfs/dbraw/zinc/68/07/09/1029680709.db2.gz VYCLGGFSTQONLW-KZNAEPCWSA-N -1 0 325.408 3.560 20 0 EHADRM CC(C)(CCC(=O)[O-])C(=O)N1CCC(c2cccc(F)c2F)CC1 ZINC000634923192 1029681754 /nfs/dbraw/zinc/68/17/54/1029681754.db2.gz UDQCERZFLRVKPI-UHFFFAOYSA-N -1 0 339.382 3.562 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(c2ccc3cc(Br)ccc3n2)C1 ZINC000263287157 1029683567 /nfs/dbraw/zinc/68/35/67/1029683567.db2.gz YFICTLZPQRAZNU-JQWIXIFHSA-N -1 0 349.228 3.544 20 0 EHADRM C[C@H]1CN(C(=O)Cc2ccc(C(=O)[O-])cc2)CC[C@@H]1c1ccccc1 ZINC000263325211 1029688933 /nfs/dbraw/zinc/68/89/33/1029688933.db2.gz KDZZGRFFNVKQAE-KXBFYZLASA-N -1 0 337.419 3.580 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Cc1cccc(Cl)c1Cl ZINC000263380541 1029693500 /nfs/dbraw/zinc/69/35/00/1029693500.db2.gz BODQCSNVBFSJCZ-LBPRGKRZSA-N -1 0 344.238 3.782 20 0 EHADRM CCOc1ccccc1-c1cccc(C(=O)N[C@H](C)[C@H](C)C(=O)[O-])c1 ZINC000263403690 1029695159 /nfs/dbraw/zinc/69/51/59/1029695159.db2.gz FQQIZNYYFGWJKJ-UONOGXRCSA-N -1 0 341.407 3.591 20 0 EHADRM O=C([O-])CCCNc1nnc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000263437264 1029697549 /nfs/dbraw/zinc/69/75/49/1029697549.db2.gz VSQGCOYRZPXNCI-UHFFFAOYSA-N -1 0 332.212 3.789 20 0 EHADRM CC(C)c1ccc(CN(C)C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000263435878 1029697691 /nfs/dbraw/zinc/69/76/91/1029697691.db2.gz ZTTKISWFFOWHCM-UHFFFAOYSA-N -1 0 340.423 3.850 20 0 EHADRM CC(C)[C@@H](c1ccccc1)N(C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263439974 1029698218 /nfs/dbraw/zinc/69/82/18/1029698218.db2.gz DIWSSSTYBIFMAO-SFHVURJKSA-N -1 0 340.423 3.924 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccc(CC(F)(F)F)cc2)[C@@H](C(=O)[O-])C1 ZINC000583359667 1029709008 /nfs/dbraw/zinc/70/90/08/1029709008.db2.gz DFTZLQCWCIDWCZ-GXFFZTMASA-N -1 0 344.333 3.508 20 0 EHADRM CC[C@@H](C)Sc1ccc([N-]S(=O)(=O)c2c[nH]nc2C)c(C)c1 ZINC000347397139 1029716467 /nfs/dbraw/zinc/71/64/67/1029716467.db2.gz NAEKYUYNILMJOG-LLVKDONJSA-N -1 0 339.486 3.718 20 0 EHADRM Cc1ccccc1C[C@H](C)N(C)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000487523267 1029750986 /nfs/dbraw/zinc/75/09/86/1029750986.db2.gz ZDHXSHQOACPSKD-INIZCTEOSA-N -1 0 349.434 3.590 20 0 EHADRM O=C([O-])CCc1cc(F)ccc1-c1ccc(O[C@@H]2CCOC2)cc1 ZINC000583392772 1029759367 /nfs/dbraw/zinc/75/93/67/1029759367.db2.gz PJZMWIZKMZYWPW-QGZVFWFLSA-N -1 0 330.355 3.678 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-]c2cc(Cl)c(Cl)cn2)c(F)c1 ZINC000446819788 1029799792 /nfs/dbraw/zinc/79/97/92/1029799792.db2.gz ZMKHSFJHLJOLAC-UHFFFAOYSA-N -1 0 349.214 3.778 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)nnc1C ZINC000446809769 1029805767 /nfs/dbraw/zinc/80/57/67/1029805767.db2.gz KRCUEDRUCYNMGF-UHFFFAOYSA-N -1 0 346.239 3.509 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)s1 ZINC000525368957 1029815716 /nfs/dbraw/zinc/81/57/16/1029815716.db2.gz GKBDPEWRPBWJGG-UHFFFAOYSA-N -1 0 337.466 3.900 20 0 EHADRM CC(C)CC1(CNC(=O)N=c2[n-]nc(C(F)F)s2)CCCC1 ZINC000446910226 1029851110 /nfs/dbraw/zinc/85/11/10/1029851110.db2.gz JCIXMMKUTDGWLT-UHFFFAOYSA-N -1 0 332.420 3.626 20 0 EHADRM Cc1ccc(-c2n[n-]c(=NCc3c[nH]nc3-c3ccsc3)o2)s1 ZINC000446967165 1029868182 /nfs/dbraw/zinc/86/81/82/1029868182.db2.gz QTXRVHCFFOASGM-UHFFFAOYSA-N -1 0 343.437 3.592 20 0 EHADRM O=C(c1cccc(Br)c1[O-])N1CC[C@H]1Cc1ccccc1 ZINC000531125076 1029871442 /nfs/dbraw/zinc/87/14/42/1029871442.db2.gz MSVRZKSMPZFCOX-ZDUSSCGKSA-N -1 0 346.224 3.612 20 0 EHADRM C[C@@H]1C[C@H](CSc2n[n-]c(=NC3CCCCC3)s2)CCO1 ZINC000447104705 1029942613 /nfs/dbraw/zinc/94/26/13/1029942613.db2.gz BEKVPWOAIVWIEP-VXGBXAGGSA-N -1 0 327.519 3.612 20 0 EHADRM Cc1n[n-]c(=NCC2(c3cccc(C(F)(F)F)c3)CCC2)s1 ZINC000525706904 1030046100 /nfs/dbraw/zinc/04/61/00/1030046100.db2.gz DBCZFIWUURNDMM-UHFFFAOYSA-N -1 0 327.375 3.821 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1ccc(C)c(OC(C)C)c1 ZINC000447274427 1030050582 /nfs/dbraw/zinc/05/05/82/1030050582.db2.gz MRXSTHOTANUBRF-UHFFFAOYSA-N -1 0 335.425 3.592 20 0 EHADRM O=C(N=c1nc(-c2ccccc2Cl)[n-]s1)c1sccc1F ZINC000556027482 1030076323 /nfs/dbraw/zinc/07/63/23/1030076323.db2.gz UDTDZXIYKYCBMC-UHFFFAOYSA-N -1 0 339.804 3.733 20 0 EHADRM O=S(=O)(C=C([O-])c1ccccc1F)c1ccc(C(F)(F)F)cc1 ZINC000323621421 1030114570 /nfs/dbraw/zinc/11/45/70/1030114570.db2.gz UJMSXHZOAZQXDW-UHFFFAOYSA-N -1 0 346.301 3.501 20 0 EHADRM CC[C@@H]1CCCN1C(=O)N=c1[n-]nc(-c2cc(C)cc(C)c2)s1 ZINC000481974453 1030141478 /nfs/dbraw/zinc/14/14/78/1030141478.db2.gz SKVJSJBJQAVAMR-CQSZACIVSA-N -1 0 330.457 3.650 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccc(Cl)cc2)s1 ZINC000042317729 1030141550 /nfs/dbraw/zinc/14/15/50/1030141550.db2.gz WXIMGJYVWGFFNQ-UHFFFAOYSA-N -1 0 329.830 3.598 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccc(OC2CCC2)c(F)c1 ZINC000481986765 1030148801 /nfs/dbraw/zinc/14/88/01/1030148801.db2.gz ZSUPRBPYKUPNKQ-UHFFFAOYSA-N -1 0 341.429 3.928 20 0 EHADRM CC(C)Oc1ccc(Cl)cc1C(=O)Nc1n[nH]c(-c2ccco2)n1 ZINC000508596547 1030171645 /nfs/dbraw/zinc/17/16/45/1030171645.db2.gz SURHGQLXXMMNSC-UHFFFAOYSA-N -1 0 346.774 3.758 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)CC2(CCc3ccccc3)CCCC2)C1 ZINC000532008958 1030228299 /nfs/dbraw/zinc/22/82/99/1030228299.db2.gz CESDJJVVRTWWBX-FQEVSTJZSA-N -1 0 343.467 3.893 20 0 EHADRM Cc1c(F)cccc1NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000447523277 1030246461 /nfs/dbraw/zinc/24/64/61/1030246461.db2.gz LGZTVAHCJCQLPY-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000126900985 1030269782 /nfs/dbraw/zinc/26/97/82/1030269782.db2.gz JZEKUYBNMXUSGZ-UHFFFAOYSA-N -1 0 347.223 3.968 20 0 EHADRM CCOCc1ccc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)cc1 ZINC000121679131 1030328559 /nfs/dbraw/zinc/32/85/59/1030328559.db2.gz IYIYCVKVSNTGMA-UHFFFAOYSA-N -1 0 341.379 3.611 20 0 EHADRM O=S(=O)(CCc1ccccc1)[N-]c1nc(-c2ccccc2)cs1 ZINC000532065954 1030329735 /nfs/dbraw/zinc/32/97/35/1030329735.db2.gz OKLAYTHWLYYWJJ-UHFFFAOYSA-N -1 0 344.461 3.795 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCC[C@H](Cc2ccccc2)C1 ZINC000583660873 1030386488 /nfs/dbraw/zinc/38/64/88/1030386488.db2.gz QFCAUMVTNTZAAX-CYBMUJFWSA-N -1 0 349.352 3.904 20 0 EHADRM COC(=O)c1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000536096546 1030390458 /nfs/dbraw/zinc/39/04/58/1030390458.db2.gz UHBKQHUNWQXMNA-UHFFFAOYSA-N -1 0 340.162 3.738 20 0 EHADRM CN(C)c1nc2ccc(NC(=O)c3ccc([O-])c(Cl)c3)cc2o1 ZINC000158964985 1030453069 /nfs/dbraw/zinc/45/30/69/1030453069.db2.gz UZWAWAUEJMFGCA-UHFFFAOYSA-N -1 0 331.759 3.505 20 0 EHADRM C[C@@H](C(=O)N=c1nc(C(C)(C)C)[n-]s1)c1cc2ccccc2o1 ZINC000482534268 1030515767 /nfs/dbraw/zinc/51/57/67/1030515767.db2.gz NQDOHZNEXIOGPS-SNVBAGLBSA-N -1 0 329.425 3.746 20 0 EHADRM CC(C)C[C@H](CNC(=O)C[C@@H](C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000431536909 1030524554 /nfs/dbraw/zinc/52/45/54/1030524554.db2.gz MWDAEFMSRVINSZ-DZGCQCFKSA-N -1 0 339.863 3.772 20 0 EHADRM O=C(Nc1ccc(OCC(F)(F)F)nc1)c1ccc([O-])c(Cl)c1 ZINC000060689762 1030653404 /nfs/dbraw/zinc/65/34/04/1030653404.db2.gz CUTBUYLIBQHDFX-UHFFFAOYSA-N -1 0 346.692 3.634 20 0 EHADRM C[C@@H]1CCN(C(=O)N=c2[n-]nc(/C=C/c3ccco3)s2)C[C@@H](C)C1 ZINC000343390421 1030656005 /nfs/dbraw/zinc/65/60/05/1030656005.db2.gz CVWSFLUMSZKNIF-PBJSTTKNSA-N -1 0 346.456 3.623 20 0 EHADRM CCC[C@H]1CCCN(C(=O)N=c2nc(-c3ccsc3)[n-]s2)C1 ZINC000448007566 1030665342 /nfs/dbraw/zinc/66/53/42/1030665342.db2.gz ARRUHMPAWSMYLQ-NSHDSACASA-N -1 0 336.486 3.733 20 0 EHADRM Cc1cc(C([O-])=C[S@](=O)Cc2ccccc2C2CC2)c(C)n1C ZINC000527209737 1030710539 /nfs/dbraw/zinc/71/05/39/1030710539.db2.gz ZTGIXXIWBMWDCU-HSZRJFAPSA-N -1 0 329.465 3.651 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Cc1ccc2ccccc2c1 ZINC000237986892 1030736313 /nfs/dbraw/zinc/73/63/13/1030736313.db2.gz MFIQOYOCUXBPAC-GOSISDBHSA-N -1 0 325.408 3.628 20 0 EHADRM CC(C)N(Cc1cccc(Cl)c1)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000448153836 1030776093 /nfs/dbraw/zinc/77/60/93/1030776093.db2.gz HNUHFXQONGBNRZ-UHFFFAOYSA-N -1 0 344.846 3.872 20 0 EHADRM CC(C)n1cc(S(=O)(=O)[N-]c2cccc(-c3cccs3)c2)cn1 ZINC000157729922 1030789346 /nfs/dbraw/zinc/78/93/46/1030789346.db2.gz SUOCRUVSMLGCMJ-UHFFFAOYSA-N -1 0 347.465 3.993 20 0 EHADRM CCOc1ccccc1N=c1[n-]nc(SCCCSC)s1 ZINC000610208065 1030800946 /nfs/dbraw/zinc/80/09/46/1030800946.db2.gz CDJLJHABKUGNJB-UHFFFAOYSA-N -1 0 341.527 3.948 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(c2ccc(OC(F)F)cn2)CC1 ZINC000668168632 1030831604 /nfs/dbraw/zinc/83/16/04/1030831604.db2.gz NELNAMPAAXARNP-UHFFFAOYSA-N -1 0 348.349 3.765 20 0 EHADRM COc1ccccc1-n1ncc(C)c1Nc1ccc(C)c(C(=O)[O-])c1 ZINC001211599623 1030861599 /nfs/dbraw/zinc/86/15/99/1030861599.db2.gz QDYLSXLHORQMGH-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM C[C@@H]1C[C@H](Nc2ccc(OCC3CCOCC3)cc2)CC[C@H]1C(=O)[O-] ZINC000902284356 1030869830 /nfs/dbraw/zinc/86/98/30/1030869830.db2.gz QBRCGAREASSULR-LSBZLQRGSA-N -1 0 347.455 3.793 20 0 EHADRM CCCS(=O)(=O)[N-]c1ncc(Cc2cccc(C)c2Cl)s1 ZINC000583844797 1030914017 /nfs/dbraw/zinc/91/40/17/1030914017.db2.gz FEKJSTWIILNSCP-UHFFFAOYSA-N -1 0 344.889 3.847 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccsc2)cc1OCC(F)F ZINC000349945100 1030917855 /nfs/dbraw/zinc/91/78/55/1030917855.db2.gz NXGXHOAFUDJYTG-UHFFFAOYSA-N -1 0 333.381 3.501 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000448353212 1031000872 /nfs/dbraw/zinc/00/08/72/1031000872.db2.gz GORMQKYGKWPIHT-NRFANRHFSA-N -1 0 348.450 3.920 20 0 EHADRM CCSCc1ccccc1C(=O)N=c1cc(-c2ccc(C)o2)[n-][nH]1 ZINC000448376481 1031006696 /nfs/dbraw/zinc/00/66/96/1031006696.db2.gz RBPQUVWGNVKXHV-UHFFFAOYSA-N -1 0 341.436 3.905 20 0 EHADRM CC(C)N(CC1CCC1)C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000194602113 1031030361 /nfs/dbraw/zinc/03/03/61/1031030361.db2.gz MCNYWVDYZHJNLL-UHFFFAOYSA-N -1 0 347.846 3.882 20 0 EHADRM O=C([O-])CS(=O)(=O)Cc1ccc(-c2ccc(C3CCC3)cc2)cc1 ZINC000583883083 1031033585 /nfs/dbraw/zinc/03/35/85/1031033585.db2.gz FKFUTFVUIXFUMG-UHFFFAOYSA-N -1 0 344.432 3.621 20 0 EHADRM CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1cc(C)cc(F)c1 ZINC000476915378 1031068023 /nfs/dbraw/zinc/06/80/23/1031068023.db2.gz SJRIFXNGJPFDIW-UHFFFAOYSA-N -1 0 347.415 3.695 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]c1cccc(Cl)c1-n1cccn1 ZINC000320984060 1031069196 /nfs/dbraw/zinc/06/91/96/1031069196.db2.gz HNGQKLCRJMRLHF-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)N[C@@H](C)c1ccccc1C(F)(F)F ZINC000572601057 1031154239 /nfs/dbraw/zinc/15/42/39/1031154239.db2.gz ICCXHRAIXCANTP-MNOVXSKESA-N -1 0 346.349 3.661 20 0 EHADRM COCc1n[n-]c(=N[C@@H](Cc2ccccc2)c2sccc2C)s1 ZINC000477129927 1031278515 /nfs/dbraw/zinc/27/85/15/1031278515.db2.gz YENTXGUBMKGHQM-AWEZNQCLSA-N -1 0 345.493 3.872 20 0 EHADRM O=S(=O)([N-]c1ccc(C2CCC2)cn1)c1sccc1Cl ZINC000564531909 1031283025 /nfs/dbraw/zinc/28/30/25/1031283025.db2.gz NURQFQGGDIWSOK-UHFFFAOYSA-N -1 0 328.846 3.865 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)Cc1cccc(C2CC2)c1)c1ccccc1 ZINC000668272535 1031371300 /nfs/dbraw/zinc/37/13/00/1031371300.db2.gz GXVZMCLYEDSQDU-XOBRGWDASA-N -1 0 337.419 3.685 20 0 EHADRM CC(C)CN(C(=O)c1cc(Br)c(F)cc1[O-])C1CC1 ZINC000448653449 1031391894 /nfs/dbraw/zinc/39/18/94/1031391894.db2.gz DIONGXBUUFQCSR-UHFFFAOYSA-N -1 0 330.197 3.554 20 0 EHADRM CC(C)(C(=O)[O-])C(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000668299624 1031426742 /nfs/dbraw/zinc/42/67/42/1031426742.db2.gz NBVZQSXGZROPTL-GFCCVEGCSA-N -1 0 343.345 3.522 20 0 EHADRM COc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1O ZINC000484148233 1031470298 /nfs/dbraw/zinc/47/02/98/1031470298.db2.gz YUGJHFNPNGQBRM-UHFFFAOYSA-N -1 0 348.207 3.508 20 0 EHADRM CC[C@@H](Cc1ccc(NCc2cncc(OC)c2C)cc1)C(=O)[O-] ZINC000904015391 1031603391 /nfs/dbraw/zinc/60/33/91/1031603391.db2.gz NAZUIRIXHDGDQY-HNNXBMFYSA-N -1 0 328.412 3.664 20 0 EHADRM Cc1ccccc1-c1nc(=NC[C@H]2CCOC3(CCC3)C2)s[n-]1 ZINC000528031697 1031611406 /nfs/dbraw/zinc/61/14/06/1031611406.db2.gz SNZJVFMZYGNFIS-AWEZNQCLSA-N -1 0 329.469 3.697 20 0 EHADRM C/C(=C\c1ccccc1C(F)(F)F)CNCc1nocc1C(=O)[O-] ZINC000904023061 1031617022 /nfs/dbraw/zinc/61/70/22/1031617022.db2.gz GGHDBSTVZVZAGC-UXBLZVDNSA-N -1 0 340.301 3.585 20 0 EHADRM COc1ccc([C@@H](CCC(=O)[O-])NCc2nc3ccccc3o2)cc1 ZINC000904004562 1031620893 /nfs/dbraw/zinc/62/08/93/1031620893.db2.gz CZWJUOIYGDIIKR-OAHLLOKOSA-N -1 0 340.379 3.532 20 0 EHADRM Cc1cc(F)c(S(=O)(=O)[N-]c2cccc3cccnc32)cc1F ZINC000178117482 1031657093 /nfs/dbraw/zinc/65/70/93/1031657093.db2.gz BWKCGTAXDFABSQ-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NCc2ncc(C(F)(F)F)s2)c1 ZINC000904045752 1031665390 /nfs/dbraw/zinc/66/53/90/1031665390.db2.gz NCTFKIOXELRRSN-LLVKDONJSA-N -1 0 344.358 3.776 20 0 EHADRM CC[C@@H](NCc1csc(-c2cccs2)n1)c1nc(C(=O)[O-])c[nH]1 ZINC000904066130 1031691244 /nfs/dbraw/zinc/69/12/44/1031691244.db2.gz YEISFKZXKDILRH-SNVBAGLBSA-N -1 0 348.453 3.534 20 0 EHADRM Cc1cc2cc([N-]S(=O)(=O)c3cc(F)c(C)cc3F)ccc2[nH]1 ZINC000475737418 1031719270 /nfs/dbraw/zinc/71/92/70/1031719270.db2.gz ZNOCLLODGLXZRW-UHFFFAOYSA-N -1 0 336.363 3.864 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cnccc2C)c(Cl)c1Cl ZINC000085235424 1031720351 /nfs/dbraw/zinc/72/03/51/1031720351.db2.gz GBGIRBGFMNZUKX-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM O=C(N=c1nc(-c2cccnc2)[n-]s1)c1ccc(C2CCC2)cc1 ZINC000484641106 1031810984 /nfs/dbraw/zinc/81/09/84/1031810984.db2.gz HZVRIXATWXXLAQ-UHFFFAOYSA-N -1 0 336.420 3.542 20 0 EHADRM Cc1cc(N2CCCC2)ccc1N[C@@H]1C[C@H](NC(=O)[O-])C12CCC2 ZINC000904195473 1031841880 /nfs/dbraw/zinc/84/18/80/1031841880.db2.gz OQQOMNPUQWEAAU-SJORKVTESA-N -1 0 329.444 3.586 20 0 EHADRM CCOc1ccc(NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)cc1 ZINC000904196490 1031842530 /nfs/dbraw/zinc/84/25/30/1031842530.db2.gz ZAEUFEHLSXQFGI-UHFFFAOYSA-N -1 0 344.411 3.591 20 0 EHADRM Cc1ccc(NC(=O)C(C)C)cc1N[C@H]1C[C@H](NC(=O)[O-])C12CCC2 ZINC000904194726 1031843307 /nfs/dbraw/zinc/84/33/07/1031843307.db2.gz DNQLLPOJGBTJOO-HOTGVXAUSA-N -1 0 345.443 3.580 20 0 EHADRM O=C(c1cc(Br)c(F)cc1[O-])N1CCC[C@@H]1C1CCC1 ZINC000448894829 1031845944 /nfs/dbraw/zinc/84/59/44/1031845944.db2.gz AUPUXRYZUAMSHZ-CYBMUJFWSA-N -1 0 342.208 3.699 20 0 EHADRM O=C([O-])N[C@H]1C[C@@H](Nc2ccc(OC3CCC3)c(F)c2)C12CCC2 ZINC000904201224 1031847905 /nfs/dbraw/zinc/84/79/05/1031847905.db2.gz YQIGINARQZHDGC-CVEARBPZSA-N -1 0 334.391 3.748 20 0 EHADRM O=C([O-])N[C@@H]1C[C@@H](Nc2ccc(N3CCCC3)c(Cl)c2)C12CCC2 ZINC000904200385 1031848645 /nfs/dbraw/zinc/84/86/45/1031848645.db2.gz TWCPBJOWVWNAIJ-HZPDHXFCSA-N -1 0 349.862 3.931 20 0 EHADRM C[C@@H]1CCC[C@H](C)N1C(=O)c1cc(Br)c(F)cc1[O-] ZINC000448904998 1031862743 /nfs/dbraw/zinc/86/27/43/1031862743.db2.gz WTGMALMSBKAKEA-DTORHVGOSA-N -1 0 330.197 3.697 20 0 EHADRM CC[C@H](C)n1ncc(N[C@H]2C[C@@H](NC(=O)[O-])C23CCC3)c1C1CC1 ZINC000904228146 1031864528 /nfs/dbraw/zinc/86/45/28/1031864528.db2.gz KFBBGCZKEPXCOK-TUKIKUTGSA-N -1 0 332.448 3.722 20 0 EHADRM Cc1ncoc1-c1ccc(N[C@H]2C[C@@H](NC(=O)[O-])C23CCC3)cc1 ZINC000904257721 1031904987 /nfs/dbraw/zinc/90/49/87/1031904987.db2.gz CHHGBLWWEGQRIT-LSDHHAIUSA-N -1 0 327.384 3.641 20 0 EHADRM O=C([O-])c1ccc([C@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C(F)(F)F)cc1 ZINC000455911459 1031963611 /nfs/dbraw/zinc/96/36/11/1031963611.db2.gz BTLDVSYLUVEICX-DGAVXFQQSA-N -1 0 341.329 3.541 20 0 EHADRM O=C(N=c1ncn(C2CCCCC2)[n-]1)c1ccc2c3c(cccc31)CC2 ZINC000484842631 1032005182 /nfs/dbraw/zinc/00/51/82/1032005182.db2.gz BKONMODJAHILTR-UHFFFAOYSA-N -1 0 346.434 3.709 20 0 EHADRM CCSc1ccc(C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000448987005 1032017247 /nfs/dbraw/zinc/01/72/47/1032017247.db2.gz AAVPYAOYWFSITD-KRWDZBQOSA-N -1 0 343.448 3.567 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)c2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000448987182 1032017487 /nfs/dbraw/zinc/01/74/87/1032017487.db2.gz APDJMERKTASKCK-QFIPXVFZSA-N -1 0 349.430 3.831 20 0 EHADRM CCC(CC)(CC(=O)NCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000343804319 1033358363 /nfs/dbraw/zinc/35/83/63/1033358363.db2.gz JFWMDWXYWMAJQW-UHFFFAOYSA-N -1 0 332.227 3.891 20 0 EHADRM CCCc1n[n-]c(=NCc2cccc(OCc3ccccc3F)c2)o1 ZINC000537491078 1033378568 /nfs/dbraw/zinc/37/85/68/1033378568.db2.gz ZDHPSPJPQYHNRQ-UHFFFAOYSA-N -1 0 341.386 3.774 20 0 EHADRM C[C@]1(C(=O)Nc2ccc(F)c(Br)c2[O-])CC=CCC1 ZINC001142545402 1033393646 /nfs/dbraw/zinc/39/36/46/1033393646.db2.gz BCBAYOFPERNIBA-AWEZNQCLSA-N -1 0 328.181 3.979 20 0 EHADRM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000044253738 1033479059 /nfs/dbraw/zinc/47/90/59/1033479059.db2.gz RWDUQMNKRBZCTE-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM COc1ccc2c(c1)OCC[C@H]2N=c1nc(-c2ccccc2)[n-]s1 ZINC000608089697 1033486590 /nfs/dbraw/zinc/48/65/90/1033486590.db2.gz JOVIBGYUKIWBFM-OAHLLOKOSA-N -1 0 339.420 3.571 20 0 EHADRM C[C@@H]1C[C@@H]1c1nc(=O)c2sc(-c3ccc4c(c3)OCO4)cc2[n-]1 ZINC000608102969 1033495685 /nfs/dbraw/zinc/49/56/85/1033495685.db2.gz LTTGILPPCWQAQI-SCZZXKLOSA-N -1 0 326.377 3.504 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(Cl)cc2F)c(C)c1 ZINC000059250699 1033512519 /nfs/dbraw/zinc/51/25/19/1033512519.db2.gz UFDXRUPSSGMHEO-UHFFFAOYSA-N -1 0 341.791 3.789 20 0 EHADRM O=C(N=c1[n-]nc(C2CC2)s1)N1CCCC[C@H]1c1ccccc1 ZINC000548845246 1033528889 /nfs/dbraw/zinc/52/88/89/1033528889.db2.gz MHZVDPFGCLSKBE-AWEZNQCLSA-N -1 0 328.441 3.597 20 0 EHADRM Cn1ccc2c1cccc2[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000548847151 1033573864 /nfs/dbraw/zinc/57/38/64/1033573864.db2.gz GDWMXIRHGHMASE-UHFFFAOYSA-N -1 0 337.404 3.527 20 0 EHADRM COC(=O)Cc1ccc(Cl)c(Nc2ccc(C(=O)[O-])cc2C)c1 ZINC001211626800 1033613539 /nfs/dbraw/zinc/61/35/39/1033613539.db2.gz XWLCFYXMYMGPHY-UHFFFAOYSA-N -1 0 333.771 3.806 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(Br)c1[O-] ZINC000608366576 1033640407 /nfs/dbraw/zinc/64/04/07/1033640407.db2.gz LNIUFTXDMBVRTI-JTNHKYCSSA-N -1 0 338.245 3.948 20 0 EHADRM Cc1ccnc([C@@H]2CCN(C(=O)c3cc(F)c([O-])c(Cl)c3)C2)c1 ZINC000574890227 1033675667 /nfs/dbraw/zinc/67/56/67/1033675667.db2.gz SKUPUNSIYSBFRZ-LLVKDONJSA-N -1 0 334.778 3.518 20 0 EHADRM COc1ccc([C@H](C)CCNC(=O)c2c([O-])cc(F)cc2F)cc1 ZINC000608441197 1033691575 /nfs/dbraw/zinc/69/15/75/1033691575.db2.gz FBIHYXPCMMIATM-LLVKDONJSA-N -1 0 335.350 3.603 20 0 EHADRM C[C@H](NC(=O)NCCC(C)(C)C(=O)[O-])c1ccc(F)c2ccccc21 ZINC000424397432 1033701302 /nfs/dbraw/zinc/70/13/02/1033701302.db2.gz JZOGTKDDOYCDMF-LBPRGKRZSA-N -1 0 346.402 3.840 20 0 EHADRM COc1ccc(OC)c([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1 ZINC000460413167 1033743738 /nfs/dbraw/zinc/74/37/38/1033743738.db2.gz RTZYXTMVEXVMCA-UHFFFAOYSA-N -1 0 335.425 3.628 20 0 EHADRM O=C([O-])C1(C(=O)N2Cc3ccccc3-c3ccccc3C2)CCCC1 ZINC000575062227 1033773181 /nfs/dbraw/zinc/77/31/81/1033773181.db2.gz AUVJCIFUCLMWSW-UHFFFAOYSA-N -1 0 335.403 3.841 20 0 EHADRM Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)c1C ZINC000046928739 1033896621 /nfs/dbraw/zinc/89/66/21/1033896621.db2.gz UDPJGLGSVRJJGC-UHFFFAOYSA-N -1 0 329.830 3.712 20 0 EHADRM COc1ccc([C@H](C)N=c2[n-]nc(C(C)C)o2)cc1Br ZINC000450231839 1033948974 /nfs/dbraw/zinc/94/89/74/1033948974.db2.gz USXDZFKZZWZGRK-VIFPVBQESA-N -1 0 340.221 3.559 20 0 EHADRM Cc1cc(CCC(=O)[O-])ccc1-c1cccc(CO[C@@H]2CCOC2)c1 ZINC000514614364 1034005094 /nfs/dbraw/zinc/00/50/94/1034005094.db2.gz FFDRLDSQAFRAHT-LJQANCHMSA-N -1 0 340.419 3.985 20 0 EHADRM CCCc1nc(C)c([N-]S(=O)(=O)c2cnc3ccccc3c2)s1 ZINC000548860889 1034057081 /nfs/dbraw/zinc/05/70/81/1034057081.db2.gz WDISSQZAGADRTR-UHFFFAOYSA-N -1 0 347.465 3.753 20 0 EHADRM CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000056973660 1034083698 /nfs/dbraw/zinc/08/36/98/1034083698.db2.gz SUJWZTWPLHSCIC-UHFFFAOYSA-N -1 0 346.814 3.826 20 0 EHADRM Cc1onc(C2CC2)c1C(=O)Nc1nnc(/C=C\c2ccco2)s1 ZINC000450312557 1034089763 /nfs/dbraw/zinc/08/97/63/1034089763.db2.gz IADYRLLRILKTPU-SREVYHEPSA-N -1 0 342.380 3.728 20 0 EHADRM Cc1onc(C2CC2)c1C(=O)Nc1nnc(/C=C/c2ccco2)s1 ZINC000450312560 1034090587 /nfs/dbraw/zinc/09/05/87/1034090587.db2.gz IADYRLLRILKTPU-VOTSOKGWSA-N -1 0 342.380 3.728 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccccc1C(C)(C)C ZINC000460458240 1034175356 /nfs/dbraw/zinc/17/53/56/1034175356.db2.gz KISPGOZKKDUFQL-UHFFFAOYSA-N -1 0 347.436 3.792 20 0 EHADRM CCCOc1ccc(CN=c2[n-]nc(C(C)C)o2)c(OC(F)F)c1 ZINC000450385640 1034242583 /nfs/dbraw/zinc/24/25/83/1034242583.db2.gz FBAPJKIRVXZJMK-UHFFFAOYSA-N -1 0 341.358 3.617 20 0 EHADRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(OC)cc2)c1C1CC1 ZINC000534239056 1034280443 /nfs/dbraw/zinc/28/04/43/1034280443.db2.gz ZHZHDPIVAXBYHT-LBPRGKRZSA-N -1 0 349.456 3.541 20 0 EHADRM CC(C)(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000604305884 1034319892 /nfs/dbraw/zinc/31/98/92/1034319892.db2.gz IVEXZYBFAYJBMP-UHFFFAOYSA-N -1 0 347.436 3.695 20 0 EHADRM COc1cccc(S(=O)(=O)[N-]c2ccccc2OC(C)(C)C)c1 ZINC000604305949 1034321245 /nfs/dbraw/zinc/32/12/45/1034321245.db2.gz SCZDFKMTRYNPQL-UHFFFAOYSA-N -1 0 335.425 3.673 20 0 EHADRM Cc1sc(CN2CCCCC[C@@H]2C(=O)[O-])cc1Br ZINC000227980581 1034401912 /nfs/dbraw/zinc/40/19/12/1034401912.db2.gz SDFRPTPSCCZSFI-GFCCVEGCSA-N -1 0 332.263 3.648 20 0 EHADRM CN(C(=O)c1ccc(Cl)c(Cl)c1[O-])[C@H](CO)CC(C)(C)C ZINC000456427149 1034422437 /nfs/dbraw/zinc/42/24/37/1034422437.db2.gz BDISMFRMOZCZLS-VIFPVBQESA-N -1 0 334.243 3.568 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cccc(C(F)F)c1)C1CCCCC1 ZINC000450514092 1034453519 /nfs/dbraw/zinc/45/35/19/1034453519.db2.gz YVLQVJNAVNORRL-CQSZACIVSA-N -1 0 325.355 3.778 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000604708365 1034461885 /nfs/dbraw/zinc/46/18/85/1034461885.db2.gz LCQWXXSCHONDQF-ZIAGYGMSSA-N -1 0 347.340 3.537 20 0 EHADRM C[C@@H](C(=O)[O-])N(C)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000404253370 1034483982 /nfs/dbraw/zinc/48/39/82/1034483982.db2.gz NMKURXKGXFMIBV-YFKPBYRVSA-N -1 0 325.579 3.584 20 0 EHADRM Cc1cc([C@H](C)NC(=O)N=c2nc(C(C)(C)C)[n-]s2)c(C)s1 ZINC000604801360 1034509184 /nfs/dbraw/zinc/50/91/84/1034509184.db2.gz DKANFYMCPUSMHW-VIFPVBQESA-N -1 0 338.502 3.819 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)N2CCC3(CCCCC3)CC2)s[n-]1 ZINC000604800907 1034511159 /nfs/dbraw/zinc/51/11/59/1034511159.db2.gz OPIAIFWZHDNHRH-UHFFFAOYSA-N -1 0 336.505 3.836 20 0 EHADRM CN(Cc1cccc(Cl)c1Cl)C(=O)CC(C)(C)CC(=O)[O-] ZINC000061826878 1034541080 /nfs/dbraw/zinc/54/10/80/1034541080.db2.gz PMMIEDQVNUOWAG-UHFFFAOYSA-N -1 0 332.227 3.843 20 0 EHADRM CCCC[C@@H](CC)CC(=O)Nc1cc(S(=O)(=O)CC)ccc1[O-] ZINC000605021698 1034595977 /nfs/dbraw/zinc/59/59/77/1034595977.db2.gz KPSZVWAIRNNWBC-CYBMUJFWSA-N -1 0 341.473 3.731 20 0 EHADRM O=C(NC1(Cc2ccccc2)CCOCC1)c1ccc([O-])c(Cl)c1 ZINC000456798134 1034719996 /nfs/dbraw/zinc/71/99/96/1034719996.db2.gz YNXFMYJEYNNAMC-UHFFFAOYSA-N -1 0 345.826 3.567 20 0 EHADRM CCC[C@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])C1 ZINC000612295973 1034735630 /nfs/dbraw/zinc/73/56/30/1034735630.db2.gz VOPVQMMOBURDNR-LBPRGKRZSA-N -1 0 349.381 3.508 20 0 EHADRM Cc1ccc(S[C@H](C(=O)N=c2cccn[n-]2)c2ccccc2)c(C)c1 ZINC000605469814 1034751026 /nfs/dbraw/zinc/75/10/26/1034751026.db2.gz HXRMCRQJNCQCQD-IBGZPJMESA-N -1 0 349.459 3.987 20 0 EHADRM CCc1cccc(CC)c1S(=O)(=O)[N-]c1cc(OC)ccc1OC ZINC000605492601 1034768578 /nfs/dbraw/zinc/76/85/78/1034768578.db2.gz OPNLCZXQQSQWDD-UHFFFAOYSA-N -1 0 349.452 3.629 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@H](C)S[C@H](C)C(=O)[O-])cc1Cl ZINC000601983602 1034846944 /nfs/dbraw/zinc/84/69/44/1034846944.db2.gz GUPSCXFKKRZITQ-VHSXEESVSA-N -1 0 345.848 3.661 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1cccc(-c2cccs2)c1 ZINC000601983949 1034847635 /nfs/dbraw/zinc/84/76/35/1034847635.db2.gz MWDMGXTZVVRFDE-MNOVXSKESA-N -1 0 335.450 3.948 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)s1 ZINC000511345576 1034855335 /nfs/dbraw/zinc/85/53/35/1034855335.db2.gz RJPDFDGBNRKPJN-UHFFFAOYSA-N -1 0 334.422 3.766 20 0 EHADRM O=C(Nc1cc(Cc2ccccc2)ccc1O)C(=O)c1ccccc1 ZINC000472426292 1034885627 /nfs/dbraw/zinc/88/56/27/1034885627.db2.gz APYDQEOXOQWFBA-UHFFFAOYSA-N -1 0 331.371 3.804 20 0 EHADRM C[C@@H](Cc1ccc(-c2cccc(CO[C@H]3CCOC3)c2)cc1)C(=O)[O-] ZINC000569942787 1034906702 /nfs/dbraw/zinc/90/67/02/1034906702.db2.gz XGGQAUZPWDWFLL-YWZLYKJASA-N -1 0 340.419 3.922 20 0 EHADRM CCCC[C@@H](Sc1nc(-c2cccnc2)nc2c1CCC2)C(=O)[O-] ZINC000584480821 1034927351 /nfs/dbraw/zinc/92/73/51/1034927351.db2.gz PIUPXUVDEVUVBN-OAHLLOKOSA-N -1 0 343.452 3.763 20 0 EHADRM COCCc1nc(=N[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)s[n-]1 ZINC000450951213 1034973195 /nfs/dbraw/zinc/97/31/95/1034973195.db2.gz PGWBRMWDXKJNRE-OCCSQVGLSA-N -1 0 337.876 3.551 20 0 EHADRM O=C([O-])[C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)C[C@H]1C(F)(F)F ZINC000262690878 1034987743 /nfs/dbraw/zinc/98/77/43/1034987743.db2.gz AGPFATGABUWAEY-RKDXNWHRSA-N -1 0 342.144 3.688 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2nccc(C3CC3)n2)cc1 ZINC000530157937 1035025811 /nfs/dbraw/zinc/02/58/11/1035025811.db2.gz YXSDCQQRCCYCDT-GFCCVEGCSA-N -1 0 331.441 3.668 20 0 EHADRM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1cnc(C(=O)[O-])cn1 ZINC000530162413 1035033191 /nfs/dbraw/zinc/03/31/91/1035033191.db2.gz ORMWFAZCXDSHGO-SECBINFHSA-N -1 0 340.210 3.675 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000548948464 1035116578 /nfs/dbraw/zinc/11/65/78/1035116578.db2.gz HMUQXHYOSNPIFZ-BCDXTJNWSA-N -1 0 348.450 3.718 20 0 EHADRM Cc1ccnc(Cl)c1NS(=O)(=O)c1cccc(Cl)c1F ZINC000235823219 1035206219 /nfs/dbraw/zinc/20/62/19/1035206219.db2.gz HHLBOGVJWMJKPA-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CCC1(CC)CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)c2ccccc21 ZINC000612855977 1035269280 /nfs/dbraw/zinc/26/92/80/1035269280.db2.gz ATWFNQMVAVKXEK-UHFFFAOYSA-N -1 0 337.379 3.647 20 0 EHADRM C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)[N-]OCc1ccccc1 ZINC000782661486 1035293117 /nfs/dbraw/zinc/29/31/17/1035293117.db2.gz PGBNYPBUUZHBKV-LBPRGKRZSA-N -1 0 339.313 3.721 20 0 EHADRM FC(F)(F)c1nc(=N[C@H](c2ccccc2)C2CCOCC2)s[n-]1 ZINC000376176245 1035379431 /nfs/dbraw/zinc/37/94/31/1035379431.db2.gz ZSKXQQNLZHWQSW-GFCCVEGCSA-N -1 0 343.374 3.559 20 0 EHADRM Cc1cc(C)cc(CCC(=O)N[C@H](CC(=O)[O-])c2ccccc2C)c1 ZINC000431773392 1035470202 /nfs/dbraw/zinc/47/02/02/1035470202.db2.gz OUCIDNOXLXQWPR-LJQANCHMSA-N -1 0 339.435 3.877 20 0 EHADRM CCOc1ccccc1[C@@H](CC)NC(=O)N=c1[n-]nc(C2CC2)s1 ZINC000549013898 1035486432 /nfs/dbraw/zinc/48/64/32/1035486432.db2.gz CZPLNHKIOVUUTB-CYBMUJFWSA-N -1 0 346.456 3.509 20 0 EHADRM O=C([O-])CC1(CC(=O)NCc2c(F)cc(F)cc2F)CCCCC1 ZINC000414103798 1035517078 /nfs/dbraw/zinc/51/70/78/1035517078.db2.gz YNUAYRXOMYQHHS-UHFFFAOYSA-N -1 0 343.345 3.535 20 0 EHADRM COc1ccc2oc([C@@H](C)N=c3nc([C@@H](C)OC)[n-]s3)c(C)c2c1 ZINC000509710878 1035519623 /nfs/dbraw/zinc/51/96/23/1035519623.db2.gz HCUOIFXNZHRTIJ-GHMZBOCLSA-N -1 0 347.440 3.904 20 0 EHADRM Cc1cc(C(=O)NCC2(C(=O)[O-])CCC2)sc1-c1ccc(F)cc1 ZINC000540672589 1035544853 /nfs/dbraw/zinc/54/48/53/1035544853.db2.gz PJXJRIRPLKAHKM-UHFFFAOYSA-N -1 0 347.411 3.847 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)N[C@H](CC(=O)[O-])C1CCCCC1 ZINC000540705416 1035584648 /nfs/dbraw/zinc/58/46/48/1035584648.db2.gz RTCJSGYZFJURIA-RHSMWYFYSA-N -1 0 347.455 3.729 20 0 EHADRM COc1ccc(CN=c2[n-]nc(Cc3cccc(F)c3)s2)cc1C ZINC000540707008 1035587196 /nfs/dbraw/zinc/58/71/96/1035587196.db2.gz ZBCFEMYSNFMIPH-UHFFFAOYSA-N -1 0 343.427 3.619 20 0 EHADRM Cc1c(C(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])cnc2ccccc12 ZINC000431802912 1035599309 /nfs/dbraw/zinc/59/93/09/1035599309.db2.gz ZNOPZZKRDNXOIG-MAUKXSAKSA-N -1 0 340.423 3.697 20 0 EHADRM COc1ccc([C@H](C)CC(=O)N[C@H](CC(=O)[O-])C2CCCCC2)cc1 ZINC000540716051 1035602932 /nfs/dbraw/zinc/60/29/32/1035602932.db2.gz YTZTWMDSGWPMPV-RDTXWAMCSA-N -1 0 347.455 3.729 20 0 EHADRM CCC(CC)n1ncc(C(=O)N[C@H](CC(=O)[O-])C2CCCCC2)c1C ZINC000431813867 1035670219 /nfs/dbraw/zinc/67/02/19/1035670219.db2.gz UWSRTBVTJXJKMO-QGZVFWFLSA-N -1 0 349.475 3.706 20 0 EHADRM Cc1nc(-c2ccc(C)cc2C)sc1C(=O)NC[C@H](C)CC(=O)[O-] ZINC000540786934 1035680570 /nfs/dbraw/zinc/68/05/70/1035680570.db2.gz SQUUNGJPGKBZJK-LLVKDONJSA-N -1 0 346.452 3.576 20 0 EHADRM CC(C)CCn1ccc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)n1 ZINC000164635840 1035718392 /nfs/dbraw/zinc/71/83/92/1035718392.db2.gz TWMYEGBHJLJTBO-UHFFFAOYSA-N -1 0 345.468 3.658 20 0 EHADRM O=C(Nc1cccc(CN=c2[n-]c(-c3ccccc3)no2)c1)C1CCC1 ZINC000588161057 1035732260 /nfs/dbraw/zinc/73/22/60/1035732260.db2.gz XQOLOGYYAZSOHT-UHFFFAOYSA-N -1 0 348.406 3.509 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)N(C)CC2CCCCC2)cc1 ZINC000463692251 1035747312 /nfs/dbraw/zinc/74/73/12/1035747312.db2.gz WQZBPRMDSATISQ-QHCPKHFHSA-N -1 0 335.513 3.956 20 0 EHADRM Cc1c(C(=O)N2CCC(C)(C(=O)[O-])CC2)sc2cccc(F)c12 ZINC000321420773 1035780264 /nfs/dbraw/zinc/78/02/64/1035780264.db2.gz SLOLURSUGOPJEI-UHFFFAOYSA-N -1 0 335.400 3.676 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)C1(C)C ZINC000045099941 1035845375 /nfs/dbraw/zinc/84/53/75/1035845375.db2.gz MGOTWILCDAEULF-CABCVRRESA-N -1 0 339.432 3.850 20 0 EHADRM CCCC[C@@H](NC(=O)N[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000572029204 1035951978 /nfs/dbraw/zinc/95/19/78/1035951978.db2.gz MYDWZNRLZKRUTC-ZWNOBZJWSA-N -1 0 346.349 3.709 20 0 EHADRM O=S(=O)([N-]c1ncc(C2CCCCC2)s1)c1cncc(F)c1 ZINC000541069923 1035967331 /nfs/dbraw/zinc/96/73/31/1035967331.db2.gz BXSFXXUNDGETDR-UHFFFAOYSA-N -1 0 341.433 3.526 20 0 EHADRM Cc1ccc(C(=O)N=c2nc(-c3cccnc3)[n-]s2)c(Cl)c1C ZINC000541218535 1036097754 /nfs/dbraw/zinc/09/77/54/1036097754.db2.gz NSAHBXLIZQKZCI-UHFFFAOYSA-N -1 0 344.827 3.545 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)C1CCC(C(=O)[O-])CC1 ZINC000175061332 1036171842 /nfs/dbraw/zinc/17/18/42/1036171842.db2.gz WVYGTCSWWBYUFB-UHFFFAOYSA-N -1 0 329.318 3.843 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N2CC=C(C)CC2)s1)c1ccccc1 ZINC000535217400 1036200759 /nfs/dbraw/zinc/20/07/59/1036200759.db2.gz WZPASRBTIJITPQ-OAHLLOKOSA-N -1 0 342.468 3.686 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)c(C)s1 ZINC000175008970 1036309676 /nfs/dbraw/zinc/30/96/76/1036309676.db2.gz SOUVJJNXPIFGRX-UHFFFAOYSA-N -1 0 335.450 3.685 20 0 EHADRM Cc1ccc(C(=O)N=c2[n-]nc(Cc3cccc(Cl)c3)s2)cc1 ZINC000464322417 1036322708 /nfs/dbraw/zinc/32/27/08/1036322708.db2.gz SXHUMNAJDHBHDP-UHFFFAOYSA-N -1 0 343.839 3.765 20 0 EHADRM O=C([O-])C1CCC(CC(=O)NCc2ccc(Cl)c(Cl)c2)CC1 ZINC000659197761 1036329509 /nfs/dbraw/zinc/32/95/09/1036329509.db2.gz GTBHEAJDPBQZTK-UHFFFAOYSA-N -1 0 344.238 3.891 20 0 EHADRM Cc1nc(=NC(=O)c2ccc(-c3ccc(C)c(C)c3)cc2F)s[n-]1 ZINC000464420487 1036426410 /nfs/dbraw/zinc/42/64/10/1036426410.db2.gz YYUVZRIQPITWHG-UHFFFAOYSA-N -1 0 341.411 3.944 20 0 EHADRM CCCCc1nc2cc([N-]S(=O)(=O)c3cccs3)ccc2[nH]1 ZINC000535388215 1036431123 /nfs/dbraw/zinc/43/11/23/1036431123.db2.gz LPAIIHAKARHJJU-UHFFFAOYSA-N -1 0 335.454 3.768 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000261947145 1036460498 /nfs/dbraw/zinc/46/04/98/1036460498.db2.gz VUOWSEWMOZMFNJ-YUTCNCBUSA-N -1 0 341.329 3.563 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)N[C@@H](CC)c1ccc(Cl)s1)C(=O)[O-] ZINC000780575115 1036469005 /nfs/dbraw/zinc/46/90/05/1036469005.db2.gz MQKPRXLZDHUIQU-AUTRQRHGSA-N -1 0 332.853 3.651 20 0 EHADRM COc1ccc(C)cc1S(=O)(=O)[N-]c1ncc(C(C)(C)C)s1 ZINC000572721845 1036469486 /nfs/dbraw/zinc/46/94/86/1036469486.db2.gz HHNKRTXJSQMFSQ-UHFFFAOYSA-N -1 0 340.470 3.558 20 0 EHADRM COc1c(C)ccc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1C ZINC000170933037 1036527523 /nfs/dbraw/zinc/52/75/23/1036527523.db2.gz SQQIZFZXFIQHKA-UHFFFAOYSA-N -1 0 345.342 3.530 20 0 EHADRM O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1cc(F)c(F)c([O-])c1F ZINC000541640063 1036532772 /nfs/dbraw/zinc/53/27/72/1036532772.db2.gz ZWHKABGPHAUIKV-GMTAPVOTSA-N -1 0 327.346 3.898 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc(-c2ccoc2)c1 ZINC000249318646 1036591455 /nfs/dbraw/zinc/59/14/55/1036591455.db2.gz QEHCXBKOKJHWAN-JLSDUUJJSA-N -1 0 339.391 3.805 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(C)[C@H]2CCCC[C@@H]2C)n1 ZINC000176267904 1036591394 /nfs/dbraw/zinc/59/13/94/1036591394.db2.gz LVGPTCJDHALHRB-WFASDCNBSA-N -1 0 345.418 3.676 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000263175395 1036607569 /nfs/dbraw/zinc/60/75/69/1036607569.db2.gz LCJYZKLVPGGANY-IAQYHMDHSA-N -1 0 345.345 3.567 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)C1CC1 ZINC000263198464 1036619534 /nfs/dbraw/zinc/61/95/34/1036619534.db2.gz JOBNGEMITYMXBE-BNOWGMLFSA-N -1 0 335.831 3.893 20 0 EHADRM Cc1cccc(C(C)(C)NC(=O)N=c2ncn(C3CCCCC3)[n-]2)c1 ZINC000541790926 1036648626 /nfs/dbraw/zinc/64/86/26/1036648626.db2.gz OKKMETNJYACNHI-UHFFFAOYSA-N -1 0 341.459 3.570 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)[C@H]2C[C@]23CCc2ccccc23)cc1)C(=O)[O-] ZINC000249626515 1036653268 /nfs/dbraw/zinc/65/32/68/1036653268.db2.gz UDPFJKHONWJDHU-WTGRHJARSA-N -1 0 349.430 3.792 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)Cc2cc(Cl)ccc2Cl)s[n-]1 ZINC000589936996 1036667364 /nfs/dbraw/zinc/66/73/64/1036667364.db2.gz AHBDROGTRBBJEM-UHFFFAOYSA-N -1 0 344.267 3.746 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)c2ccc(OC3CCCC3)cc2)s[n-]1 ZINC000589937213 1036667922 /nfs/dbraw/zinc/66/79/22/1036667922.db2.gz IIHUBENWSPZDHY-UHFFFAOYSA-N -1 0 345.468 3.831 20 0 EHADRM CC[C@@](C)(NC(=O)c1oc2c(ccc3ccccc23)c1C)C(=O)[O-] ZINC000263286230 1036752454 /nfs/dbraw/zinc/75/24/54/1036752454.db2.gz UUIFOZCKFCIILW-LJQANCHMSA-N -1 0 325.364 3.878 20 0 EHADRM CC[C@](C)(NC(=O)c1oc2c(ccc3ccccc23)c1C)C(=O)[O-] ZINC000263286229 1036754135 /nfs/dbraw/zinc/75/41/35/1036754135.db2.gz UUIFOZCKFCIILW-IBGZPJMESA-N -1 0 325.364 3.878 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCCc1ccc2ccccc2c1 ZINC000263293982 1036759379 /nfs/dbraw/zinc/75/93/79/1036759379.db2.gz ZEIZVZHALKVWHX-BEFAXECRSA-N -1 0 339.435 3.874 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)cc1 ZINC000103060022 1036802691 /nfs/dbraw/zinc/80/26/91/1036802691.db2.gz XAVACPRLIXBFDW-GFCCVEGCSA-N -1 0 331.441 3.668 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000263345107 1036805648 /nfs/dbraw/zinc/80/56/48/1036805648.db2.gz TUZJKJPYAIHYCW-WMLDXEAASA-N -1 0 341.407 3.979 20 0 EHADRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N3CC[C@H](CC(C)C)C3)n2)c1 ZINC000539488340 1036806880 /nfs/dbraw/zinc/80/68/80/1036806880.db2.gz DOJIQWVVOZROSR-CQSZACIVSA-N -1 0 345.418 3.534 20 0 EHADRM CCN1CCc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc21 ZINC000590264530 1036829804 /nfs/dbraw/zinc/82/98/04/1036829804.db2.gz BMIVVJKOJGHPQH-UHFFFAOYSA-N -1 0 342.873 3.585 20 0 EHADRM Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)c1 ZINC000464841079 1036875769 /nfs/dbraw/zinc/87/57/69/1036875769.db2.gz WFALVRCYODJMIR-UHFFFAOYSA-N -1 0 335.425 3.536 20 0 EHADRM Cc1nc(=NC[C@@H]2CC3c4ccccc4C2c2ccccc23)s[n-]1 ZINC000462382471 1036905240 /nfs/dbraw/zinc/90/52/40/1036905240.db2.gz BCMGBEGHFYKUSF-MDAWKPQNSA-N -1 0 333.460 3.978 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)NCc1ccoc1C(=O)[O-] ZINC000659199824 1036959890 /nfs/dbraw/zinc/95/98/90/1036959890.db2.gz AZVRMMFNKVQJCY-HNNXBMFYSA-N -1 0 345.395 3.575 20 0 EHADRM CCOc1cc(C(=O)NCCOc2ccccc2C)cc(Cl)c1O ZINC000186669064 1036969306 /nfs/dbraw/zinc/96/93/06/1036969306.db2.gz CLCLHQQMBXUGED-UHFFFAOYSA-N -1 0 349.814 3.562 20 0 EHADRM CCOc1ccccc1CCC(=O)N[C@@H](CC(=O)[O-])C1CCCCC1 ZINC000539617047 1036984603 /nfs/dbraw/zinc/98/46/03/1036984603.db2.gz WTWVCPKLJTWTMM-KRWDZBQOSA-N -1 0 347.455 3.558 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccc(Cl)s1)C1CCCCCCC1 ZINC000173880194 1037031998 /nfs/dbraw/zinc/03/19/98/1037031998.db2.gz GTGHCOQUHKWFKP-UHFFFAOYSA-N -1 0 335.878 3.567 20 0 EHADRM Cc1ccc(CN=c2[n-]nc(CCCc3cccs3)o2)cc1F ZINC000539693805 1037084344 /nfs/dbraw/zinc/08/43/44/1037084344.db2.gz OWJLWKZJLSJLNK-UHFFFAOYSA-N -1 0 331.416 3.788 20 0 EHADRM Fc1ccc(Cc2n[n-]c(=NCc3cccc(Cl)c3F)o2)cc1 ZINC000539694035 1037085622 /nfs/dbraw/zinc/08/56/22/1037085622.db2.gz PTSXZEJYZOKBRH-UHFFFAOYSA-N -1 0 335.741 3.626 20 0 EHADRM Cn1ncc(-c2nc(-c3ccc4[n-]c(=S)sc4c3)no2)c1Cl ZINC001213067831 1037126573 /nfs/dbraw/zinc/12/65/73/1037126573.db2.gz AHNXZZOCUFREJY-UHFFFAOYSA-N -1 0 349.828 3.689 20 0 EHADRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(-c2ccccc2)cc1 ZINC000007708304 1037131087 /nfs/dbraw/zinc/13/10/87/1037131087.db2.gz CTLVFIBSUKOHKO-UHFFFAOYSA-N -1 0 341.436 3.505 20 0 EHADRM CC[C@H](C)n1ncc2c1nc(/C=C\c1cccnc1C)cc2C(=O)[O-] ZINC000573005358 1037153033 /nfs/dbraw/zinc/15/30/33/1037153033.db2.gz MVHSMSMKRCBCBW-KRZKBDHCSA-N -1 0 336.395 3.974 20 0 EHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000761575929 1037158152 /nfs/dbraw/zinc/15/81/52/1037158152.db2.gz MGIRSMLCHBCUPT-SDNWHVSQSA-N -1 0 343.810 3.857 20 0 EHADRM CC(C)[C@H](C)CNC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666530078 1037190386 /nfs/dbraw/zinc/19/03/86/1037190386.db2.gz XCUODEHPVWJFTM-CQSZACIVSA-N -1 0 332.444 3.566 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC000666543448 1037200989 /nfs/dbraw/zinc/20/09/89/1037200989.db2.gz HJLFLNDWGPTMRW-JQHSSLGASA-N -1 0 344.455 3.609 20 0 EHADRM CCN(C(=O)NCc1cccc(C(=O)[O-])c1)[C@@H](C)Cc1ccsc1 ZINC000666562519 1037210925 /nfs/dbraw/zinc/21/09/25/1037210925.db2.gz LGFVMSOFJPGVCO-ZDUSSCGKSA-N -1 0 346.452 3.609 20 0 EHADRM C[C@H](N(Cc1ccccc1)C(=O)NCCCCC(=O)[O-])C(C)(C)C ZINC000666562897 1037212171 /nfs/dbraw/zinc/21/21/71/1037212171.db2.gz XCZPLUIAJWXMHY-HNNXBMFYSA-N -1 0 334.460 3.888 20 0 EHADRM Cc1cc2cc([N-]S(=O)(=O)c3cc(F)c(F)cc3F)ccc2[nH]1 ZINC000105590388 1037218597 /nfs/dbraw/zinc/21/85/97/1037218597.db2.gz JECZFTKZNJDUNH-UHFFFAOYSA-N -1 0 340.326 3.694 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)NCCCc1cccs1)C1CCCCC1 ZINC000539828060 1037255325 /nfs/dbraw/zinc/25/53/25/1037255325.db2.gz DRARCXOYKQLBPM-GOSISDBHSA-N -1 0 337.485 3.858 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)NCC1(c2ccccc2)CCCC1 ZINC000659119980 1037285330 /nfs/dbraw/zinc/28/53/30/1037285330.db2.gz WXTMVWAWMKPKDJ-UHFFFAOYSA-N -1 0 327.380 3.528 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000659119300 1037286017 /nfs/dbraw/zinc/28/60/17/1037286017.db2.gz OCHUMIYJHLQNPP-HZMBPMFUSA-N -1 0 343.379 3.807 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C1CCC(C2CC2)CC1)c1ccc(F)cc1 ZINC000659118065 1037290163 /nfs/dbraw/zinc/29/01/63/1037290163.db2.gz SSPGFPRQVMYKFU-PUJMQQBBSA-N -1 0 333.403 3.674 20 0 EHADRM Cc1ccc(OCCN(C)C(=O)c2cc(F)cc(Cl)c2[O-])cc1 ZINC000176977754 1037299063 /nfs/dbraw/zinc/29/90/63/1037299063.db2.gz HLOTVXYLPJOTTL-UHFFFAOYSA-N -1 0 337.778 3.644 20 0 EHADRM O=S(=O)([N-]c1cnccc1-c1cccc(F)c1)c1cccs1 ZINC000176979567 1037299485 /nfs/dbraw/zinc/29/94/85/1037299485.db2.gz OFJOFQGTOZKTSL-UHFFFAOYSA-N -1 0 334.397 3.750 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000659123033 1037303160 /nfs/dbraw/zinc/30/31/60/1037303160.db2.gz SRTKKWUSQUCWRL-IUODEOHRSA-N -1 0 327.380 3.552 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C3CC3)cc2)c1 ZINC000659126865 1037313533 /nfs/dbraw/zinc/31/35/33/1037313533.db2.gz PVJXVHMVTLPDJV-SFHVURJKSA-N -1 0 339.391 3.518 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N2CC[C@H](c3ccc(C)cc3)C2)s1 ZINC000542357762 1037319315 /nfs/dbraw/zinc/31/93/15/1037319315.db2.gz SUYVUKRDGSOREZ-HNNXBMFYSA-N -1 0 344.484 3.632 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ncccc2-c2ccccc2)cc1F ZINC000539944254 1037379584 /nfs/dbraw/zinc/37/95/84/1037379584.db2.gz ZZFGNNDFXYRZAK-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)C1CCC2(CC2)CC1)c1cccc(F)c1 ZINC000659153900 1037385704 /nfs/dbraw/zinc/38/57/04/1037385704.db2.gz XPYKMAYGRMKQKR-GOSISDBHSA-N -1 0 333.403 3.602 20 0 EHADRM CC(C)(CC(=O)N1CCC[C@@]1(C)Cc1ccccc1Cl)C(=O)[O-] ZINC000659174288 1037406207 /nfs/dbraw/zinc/40/62/07/1037406207.db2.gz SNOHDPUXGBLJCD-SFHVURJKSA-N -1 0 337.847 3.765 20 0 EHADRM CC[C@@H]1c2ccsc2CCN1C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000573252607 1037431880 /nfs/dbraw/zinc/43/18/80/1037431880.db2.gz BAYBABGAMLCAHN-SSDMNJCBSA-N -1 0 335.469 3.865 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)[C@H](CC)c2ccc(F)cc2)n1 ZINC000659183231 1037435846 /nfs/dbraw/zinc/43/58/46/1037435846.db2.gz RDEQOHOSFCEDBH-HUUCEWRRSA-N -1 0 347.390 3.580 20 0 EHADRM O=C([O-])c1ccc2c(c1)[C@@H](CNC(=O)c1cc(F)ccc1F)CCC2 ZINC000659184348 1037438042 /nfs/dbraw/zinc/43/80/42/1037438042.db2.gz LBVLARJZDQLBJI-CYBMUJFWSA-N -1 0 345.345 3.513 20 0 EHADRM O=C([N-]S(=O)(=O)C1CCCCC1)c1cc2c(s1)CCCCC2 ZINC000058069988 1037449050 /nfs/dbraw/zinc/44/90/50/1037449050.db2.gz UDLBLLRCBGTCAQ-UHFFFAOYSA-N -1 0 341.498 3.984 20 0 EHADRM CC(C)Cc1nc(=NC(=O)c2ccc(Cl)c3ncccc23)s[n-]1 ZINC000618349165 1037449210 /nfs/dbraw/zinc/44/92/10/1037449210.db2.gz MRBXZRSBYNKOIX-UHFFFAOYSA-N -1 0 346.843 3.612 20 0 EHADRM CC(C)[C@H](C(=O)NC[C@@H](CC(=O)[O-])C1CC1)c1cccc(Cl)c1 ZINC000659211323 1037482878 /nfs/dbraw/zinc/48/28/78/1037482878.db2.gz XLYPQQSGGKWCIH-PBHICJAKSA-N -1 0 337.847 3.697 20 0 EHADRM CC(C)CC(=O)Nc1ccc(NC(=O)C2=C(C(=O)[O-])CCCC2)cc1 ZINC000327717730 1037539383 /nfs/dbraw/zinc/53/93/83/1037539383.db2.gz FHJUFSAXXPVQAU-UHFFFAOYSA-N -1 0 344.411 3.565 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)C1CCC(c2ccccc2)CC1 ZINC000659235987 1037551016 /nfs/dbraw/zinc/55/10/16/1037551016.db2.gz DSJNKVQUWGVHJE-CVVKJMNTSA-N -1 0 329.440 3.720 20 0 EHADRM CCc1c([N-]S(=O)(=O)c2ccc(C)cc2)cnn1CCC(C)C ZINC000491606218 1037583840 /nfs/dbraw/zinc/58/38/40/1037583840.db2.gz CSYHXWKTODLPTJ-UHFFFAOYSA-N -1 0 335.473 3.601 20 0 EHADRM CCc1ccccc1-c1noc(-c2nc[n-]c2C(=O)c2ccccc2)n1 ZINC000573523893 1037594525 /nfs/dbraw/zinc/59/45/25/1037594525.db2.gz QNVIXSSVUQQTHM-UHFFFAOYSA-N -1 0 344.374 3.920 20 0 EHADRM CNC(=O)c1ccc(-c2cccc(C3(C(=O)[O-])CCCC3)c2)cc1C ZINC000573578067 1037619541 /nfs/dbraw/zinc/61/95/41/1037619541.db2.gz CXDWFAPKVPTXMU-UHFFFAOYSA-N -1 0 337.419 3.918 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)sc1C(=O)[O-] ZINC000659141945 1037633025 /nfs/dbraw/zinc/63/30/25/1037633025.db2.gz BRAWCGUQMBXLKE-NDBYEHHHSA-N -1 0 336.457 3.543 20 0 EHADRM COc1ccccc1[C@H](NC(=O)c1ccc(C)cc1O)c1ccccn1 ZINC000089848902 1037732627 /nfs/dbraw/zinc/73/26/27/1037732627.db2.gz MZUAZYIEIBJWBE-FQEVSTJZSA-N -1 0 348.402 3.624 20 0 EHADRM O=C([O-])C1CCC(CC(=O)Nc2ccc(F)cc2OC(F)F)CC1 ZINC000573805657 1037755436 /nfs/dbraw/zinc/75/54/36/1037755436.db2.gz IVOQVQHYCXYLPU-UHFFFAOYSA-N -1 0 345.317 3.647 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)Nc1cccc(OCCC(C)C)c1)C1CC1 ZINC000573783177 1037765476 /nfs/dbraw/zinc/76/54/76/1037765476.db2.gz PSKHNNJUWUOMEL-QGZVFWFLSA-N -1 0 348.443 3.971 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)s1 ZINC000032097356 1037795354 /nfs/dbraw/zinc/79/53/54/1037795354.db2.gz RUOBDHMTDUWRRF-UHFFFAOYSA-N -1 0 334.422 3.876 20 0 EHADRM CC(C)C[C@H](C(=O)[O-])[S@](=O)[C@@H](C)c1ccc(Br)cc1 ZINC000573897414 1037796008 /nfs/dbraw/zinc/79/60/08/1037796008.db2.gz ITARAGNISQRCIX-KEVGGSHVSA-N -1 0 347.274 3.758 20 0 EHADRM Cc1cc(C(=O)N=c2[n-]nc(Cc3cccc(Cl)c3)s2)oc1C ZINC000532622828 1037929806 /nfs/dbraw/zinc/92/98/06/1037929806.db2.gz FPKINKDPAPUNNJ-UHFFFAOYSA-N -1 0 347.827 3.666 20 0 EHADRM CCOc1ccc(C(=O)/C=C/c2cccc(OCCC(=O)[O-])c2)cc1 ZINC000058464597 1037938039 /nfs/dbraw/zinc/93/80/39/1037938039.db2.gz DLGBMDJUVVHAKT-IZZDOVSWSA-N -1 0 340.375 3.835 20 0 EHADRM O=S(=O)([N-]c1nccs1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000187998893 1037956754 /nfs/dbraw/zinc/95/67/54/1037956754.db2.gz VLLWBYVOCLSWQX-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM CCC[C@@H](C)NC(=O)N=c1[n-]nc(C(C)(C)c2ccccc2)s1 ZINC000592472061 1038000789 /nfs/dbraw/zinc/00/07/89/1038000789.db2.gz CYTUUCHOYCOBRE-GFCCVEGCSA-N -1 0 332.473 3.596 20 0 EHADRM O=C(Nc1ccn(Cc2ccccc2)n1)Nc1ccc(O)c(Cl)c1 ZINC000190955238 1038025456 /nfs/dbraw/zinc/02/54/56/1038025456.db2.gz QEYDRAXSBJLQBK-UHFFFAOYSA-N -1 0 342.786 3.934 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N[C@H]2CCc3ccc(F)cc32)s1 ZINC000592546536 1038034655 /nfs/dbraw/zinc/03/46/55/1038034655.db2.gz NYQPKWCAXZSLGL-AWEZNQCLSA-N -1 0 348.447 3.641 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ncccc2Cl)s1 ZINC000180192052 1038075147 /nfs/dbraw/zinc/07/51/47/1038075147.db2.gz UIHCJEUCRXKOCV-UHFFFAOYSA-N -1 0 330.862 3.895 20 0 EHADRM Cc1cc(NC(=O)Cc2ccc(OCC(C)C)cc2)ccc1C(=O)[O-] ZINC000236671404 1038277621 /nfs/dbraw/zinc/27/76/21/1038277621.db2.gz QPLCAWJDLZTXNN-UHFFFAOYSA-N -1 0 341.407 3.909 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)C1CCCCC1 ZINC000538506224 1038346665 /nfs/dbraw/zinc/34/66/65/1038346665.db2.gz KNCIOUDGZLBLSX-ZACQAIPSSA-N -1 0 349.858 3.983 20 0 EHADRM CC(C)(c1n[n-]c(=NCc2cccc3c[nH]nc32)s1)c1ccccc1 ZINC000538593167 1038404850 /nfs/dbraw/zinc/40/48/50/1038404850.db2.gz DBJMKCHAHIIUOX-UHFFFAOYSA-N -1 0 349.463 3.774 20 0 EHADRM C[C@@H](CNC(=O)CC1(CCc2ccccc2)CCCC1)CC(=O)[O-] ZINC000538588916 1038419707 /nfs/dbraw/zinc/41/97/07/1038419707.db2.gz XDLLVDZMMLAJQP-MRXNPFEDSA-N -1 0 331.456 3.797 20 0 EHADRM CCCCc1n[n-]c(=NCc2ccc(Cl)c(Br)c2)o1 ZINC000538592536 1038421753 /nfs/dbraw/zinc/42/17/53/1038421753.db2.gz FPQMZBKLHDDVQZ-UHFFFAOYSA-N -1 0 344.640 3.862 20 0 EHADRM C[C@@H]1[C@@H](C(=O)Nc2cc(Br)cc(Cl)c2[O-])C1(F)F ZINC000461455689 1038438576 /nfs/dbraw/zinc/43/85/76/1038438576.db2.gz DXFKXCLXRNLQDJ-VHWMUFPASA-N -1 0 340.551 3.648 20 0 EHADRM COCC[C@H](N=c1[n-]c(-c2cccc(Cl)c2)no1)c1ccc(C)o1 ZINC000538673107 1038465620 /nfs/dbraw/zinc/46/56/20/1038465620.db2.gz ISIAMXYEQLONSB-AWEZNQCLSA-N -1 0 347.802 3.903 20 0 EHADRM O=C([O-])C1(CNC(=O)c2ccc3c4c(cccc42)CC3)CCCCC1 ZINC000431861250 1038471384 /nfs/dbraw/zinc/47/13/84/1038471384.db2.gz XVABCVAHOJDHLU-UHFFFAOYSA-N -1 0 337.419 3.703 20 0 EHADRM C[C@H](CC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)n1cccc1 ZINC000538728532 1038495395 /nfs/dbraw/zinc/49/53/95/1038495395.db2.gz DMARVYBDOTYDQQ-LLVKDONJSA-N -1 0 328.393 3.991 20 0 EHADRM COCCOc1ccc(NC(=O)c2cc(Cl)ccc2[O-])c(C)c1 ZINC000538743672 1038509431 /nfs/dbraw/zinc/50/94/31/1038509431.db2.gz ZWSGVYMSPXMDPR-UHFFFAOYSA-N -1 0 335.787 3.632 20 0 EHADRM C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)C1 ZINC000910244903 1038784094 /nfs/dbraw/zinc/78/40/94/1038784094.db2.gz IJKPLVXSPWNUPF-ZBEGNZNMSA-N -1 0 349.390 3.566 20 0 EHADRM CCc1c2ccccc2oc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000910239472 1038784390 /nfs/dbraw/zinc/78/43/90/1038784390.db2.gz KZJPWFRYEGHKDW-BPUTZDHNSA-N -1 0 341.407 3.711 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)cc1 ZINC000910246141 1038787050 /nfs/dbraw/zinc/78/70/50/1038787050.db2.gz NHQUCVBCQDAZPB-HNONPPJISA-N -1 0 345.439 3.579 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2CCOC3(CCC3)C2)c2ccccc12 ZINC000910245663 1038787772 /nfs/dbraw/zinc/78/77/72/1038787772.db2.gz MAKYTJFSKFQTHH-ZDUSSCGKSA-N -1 0 339.391 3.826 20 0 EHADRM CC[C@H](C[N-]S(=O)(=O)c1c(F)cccc1Cl)CC(F)(F)F ZINC000416586827 1038806945 /nfs/dbraw/zinc/80/69/45/1038806945.db2.gz CXUWMXYMQFRUQW-QMMMGPOBSA-N -1 0 347.761 3.736 20 0 EHADRM O=C([O-])c1ccc(C(F)(F)F)nc1N1CCC[C@H]1c1ccccn1 ZINC000910286831 1038808518 /nfs/dbraw/zinc/80/85/18/1038808518.db2.gz FKNGJLTXQSWOHU-LBPRGKRZSA-N -1 0 337.301 3.535 20 0 EHADRM COc1ncc(Nc2ccc(C(=O)[O-])c(C)c2)cc1C(F)(F)F ZINC001211652518 1038812738 /nfs/dbraw/zinc/81/27/38/1038812738.db2.gz CELYRUGPANPOER-UHFFFAOYSA-N -1 0 326.274 3.859 20 0 EHADRM COc1ccc([C@H](C)Nc2ccc(C(=O)[O-])c(C)n2)c(C)c1OC ZINC000910307704 1038820102 /nfs/dbraw/zinc/82/01/02/1038820102.db2.gz BWPGPTOHFOUTEE-NSHDSACASA-N -1 0 330.384 3.587 20 0 EHADRM CC(C)CO[C@@H]1CCN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000582067626 1038847918 /nfs/dbraw/zinc/84/79/18/1038847918.db2.gz BTJVNUAWJYWKRV-IUODEOHRSA-N -1 0 346.254 3.866 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2cccc3cccnc32)cc1 ZINC000018996219 1038848017 /nfs/dbraw/zinc/84/80/17/1038848017.db2.gz RVCAZHUIUDKZEK-UHFFFAOYSA-N -1 0 326.421 3.988 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N2C[C@H](C)C[C@@H]2c2ccccc2)s1 ZINC000554052645 1038858549 /nfs/dbraw/zinc/85/85/49/1038858549.db2.gz QBWUJRRKZNRAPJ-UKRRQHHQSA-N -1 0 344.484 3.774 20 0 EHADRM O=C([O-])c1csc(C=C(Cc2ccccc2)c2nccc(=O)[nH]2)c1 ZINC000432708101 1038871937 /nfs/dbraw/zinc/87/19/37/1038871937.db2.gz OSUPUVYZDIHGOC-UKTHLTGXSA-N -1 0 338.388 3.725 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](Nc2nc(-c3cccnc3)nc3ccccc32)C1 ZINC000910397992 1038881690 /nfs/dbraw/zinc/88/16/90/1038881690.db2.gz VLFBKACABZFGPM-HIFRSBDPSA-N -1 0 348.406 3.747 20 0 EHADRM Cc1ccc2c(C)cc(N[C@@H]3CCOC4(CC(C(=O)[O-])C4)C3)nc2c1 ZINC000910488334 1038936983 /nfs/dbraw/zinc/93/69/83/1038936983.db2.gz QIOUVUJYCBSCAZ-RDYUPDBUSA-N -1 0 340.423 3.676 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1csc(C(C)(C)C)n1 ZINC000910510325 1038940696 /nfs/dbraw/zinc/94/06/96/1038940696.db2.gz FBUFODHRIQILMY-UHFFFAOYSA-N -1 0 340.489 3.650 20 0 EHADRM CCCCN(C(=O)CC1(C(=O)[O-])CCOCC1)[C@@H](C)c1ccccc1 ZINC000910534952 1038956841 /nfs/dbraw/zinc/95/68/41/1038956841.db2.gz BKDXTPFHKJQMPY-INIZCTEOSA-N -1 0 347.455 3.648 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cc1O)c1ccc(Cl)cc1Cl ZINC000485387101 1038989659 /nfs/dbraw/zinc/98/96/59/1038989659.db2.gz GLUBDRQOBBBOBD-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM CC[C@@H](C)n1nc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1C ZINC000910650686 1039002132 /nfs/dbraw/zinc/00/21/32/1039002132.db2.gz YCDUMIFELLVGFM-RGZNSWCXSA-N -1 0 333.432 3.526 20 0 EHADRM Cc1c(NC(=O)C(C)(C)CCC(=O)[O-])cnn1-c1cc(C)ccc1C ZINC000910648170 1039002396 /nfs/dbraw/zinc/00/23/96/1039002396.db2.gz HLXVUPGOBMJDTD-UHFFFAOYSA-N -1 0 343.427 3.627 20 0 EHADRM Cc1oc([C@H](C)N2CCO[C@@H](c3ccc(F)c(C)c3)C2)cc1C(=O)[O-] ZINC000567173291 1039004729 /nfs/dbraw/zinc/00/47/29/1039004729.db2.gz UJBXBQZSTZVOAK-KPZWWZAWSA-N -1 0 347.386 3.868 20 0 EHADRM Cc1c(NC(=O)CC2CCC(C(=O)[O-])CC2)cnn1C1CCCC1 ZINC000910656878 1039005109 /nfs/dbraw/zinc/00/51/09/1039005109.db2.gz SSIAPQHIJIYUPK-UHFFFAOYSA-N -1 0 333.432 3.526 20 0 EHADRM Cc1ccc(NC(=O)c2nn(-c3ccccc3F)cc2[O-])cc1C ZINC000552124322 1039007576 /nfs/dbraw/zinc/00/75/76/1039007576.db2.gz MEYUPKSBYWEMNX-UHFFFAOYSA-N -1 0 325.343 3.586 20 0 EHADRM Cc1cc(NC(=O)Cc2ccc(C(=O)[O-])cc2)nn1C1CCCCC1 ZINC000910659815 1039008395 /nfs/dbraw/zinc/00/83/95/1039008395.db2.gz BSMGUPGLAMPHPZ-UHFFFAOYSA-N -1 0 341.411 3.576 20 0 EHADRM CC(C)Sc1ccccc1C(=O)Nc1ncc(CC(=O)[O-])s1 ZINC000910671709 1039013602 /nfs/dbraw/zinc/01/36/02/1039013602.db2.gz MFFPJDMMAPAUAB-UHFFFAOYSA-N -1 0 336.438 3.523 20 0 EHADRM CC(C)(C)C[C@@H]1CCN(C(=O)N=c2[n-]nc(C(F)F)s2)C1(C)C ZINC000416779066 1039025063 /nfs/dbraw/zinc/02/50/63/1039025063.db2.gz PBYHHNAZBPQDGU-VIFPVBQESA-N -1 0 346.447 3.966 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)c2ccc(C)c(C)c2)nc1C(=O)[O-] ZINC000910724203 1039032974 /nfs/dbraw/zinc/03/29/74/1039032974.db2.gz UJDDUULKIDYCTN-CQSZACIVSA-N -1 0 344.436 3.744 20 0 EHADRM Cc1nc2ccc([N-]S(=O)(=O)c3c[nH]c4cccc(F)c43)cc2o1 ZINC000185187114 1039041933 /nfs/dbraw/zinc/04/19/33/1039041933.db2.gz CCNWRKRBSFHWFR-UHFFFAOYSA-N -1 0 345.355 3.557 20 0 EHADRM Cc1cc(=NC(=O)N(Cc2ccccc2Cl)CC2CC2)[n-]nc1C ZINC000554207038 1039060935 /nfs/dbraw/zinc/06/09/35/1039060935.db2.gz WYAUNAGNSQZAOL-UHFFFAOYSA-N -1 0 344.846 3.613 20 0 EHADRM COc1ccc2nc(/C=C\c3ccnn3C(C)C)cc(C(=O)[O-])c2c1 ZINC000480038612 1039064075 /nfs/dbraw/zinc/06/40/75/1039064075.db2.gz QWSVBCHYVTYAST-PLNGDYQASA-N -1 0 337.379 3.889 20 0 EHADRM O=C([O-])CC1CC(NC(=O)C2(c3cccc(Cl)c3)CCCC2)C1 ZINC000910812288 1039089712 /nfs/dbraw/zinc/08/97/12/1039089712.db2.gz JFSHQZBVVBVAEK-UHFFFAOYSA-N -1 0 335.831 3.521 20 0 EHADRM C[C@H](CC(=O)NCC(C)(C)CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000910822220 1039096451 /nfs/dbraw/zinc/09/64/51/1039096451.db2.gz QEGBHBMRRQECSF-LLVKDONJSA-N -1 0 345.361 3.816 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)N2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])cc1 ZINC000910843344 1039111457 /nfs/dbraw/zinc/11/14/57/1039111457.db2.gz RDHCDLJVWRVZQJ-XHSDSOJGSA-N -1 0 341.432 3.516 20 0 EHADRM C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(CC(=O)[O-])c1 ZINC000910934762 1039142991 /nfs/dbraw/zinc/14/29/91/1039142991.db2.gz BJHLMQQIUSSADM-BEFAXECRSA-N -1 0 337.419 3.722 20 0 EHADRM CSc1ccc(NC(=O)c2cc(C)n(C(C)(C)C)n2)cc1C(=O)[O-] ZINC000910949175 1039153596 /nfs/dbraw/zinc/15/35/96/1039153596.db2.gz GSAILEVOABTGHQ-UHFFFAOYSA-N -1 0 347.440 3.619 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cc(OC)c(OC)cc1C ZINC000910964675 1039163073 /nfs/dbraw/zinc/16/30/73/1039163073.db2.gz HVZIASPUPQTWFJ-UHFFFAOYSA-N -1 0 343.379 3.525 20 0 EHADRM CSc1ccc(NC(=O)C(C)(C)[C@@H]2CCCCO2)cc1C(=O)[O-] ZINC000910943426 1039167258 /nfs/dbraw/zinc/16/72/58/1039167258.db2.gz CEVWYCYTKUXDKH-AWEZNQCLSA-N -1 0 337.441 3.641 20 0 EHADRM CCN(C(=O)c1ccc(OC(C)(C)C)cn1)c1cccc(C(=O)[O-])c1 ZINC000910969026 1039171264 /nfs/dbraw/zinc/17/12/64/1039171264.db2.gz YXIBLVUQKXPTFJ-UHFFFAOYSA-N -1 0 342.395 3.624 20 0 EHADRM CCN(C(=O)[C@H]1C[C@@H]1c1ccccc1OC)c1cccc(C(=O)[O-])c1 ZINC000910972374 1039174169 /nfs/dbraw/zinc/17/41/69/1039174169.db2.gz WEUBQMKXQZPZHN-SJORKVTESA-N -1 0 339.391 3.550 20 0 EHADRM CC(C)[C@H](Sc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000485519313 1039195475 /nfs/dbraw/zinc/19/54/75/1039195475.db2.gz QWVXCBYSOXXANC-KRWDZBQOSA-N -1 0 343.448 3.818 20 0 EHADRM CCNc1ccc(C(=O)[O-])cc1NC(=O)c1oc(C(F)F)cc1C ZINC000911084178 1039216298 /nfs/dbraw/zinc/21/62/98/1039216298.db2.gz HGDFMGBLVFBNMD-UHFFFAOYSA-N -1 0 338.310 3.908 20 0 EHADRM C[C@@]1(Cc2cccs2)CCCN1C(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000911060323 1039218742 /nfs/dbraw/zinc/21/87/42/1039218742.db2.gz CJLLMNJBZVIQTH-VKJFTORMSA-N -1 0 335.469 3.563 20 0 EHADRM CC1(C)C[C@H](c2ccccc2)CN1C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000911060350 1039220133 /nfs/dbraw/zinc/22/01/33/1039220133.db2.gz CUWQAOBEYPQRDL-BBWFWOEESA-N -1 0 329.440 3.672 20 0 EHADRM CC(C)CN(C)C(=O)N1CC[C@@H](C2(C(=O)[O-])CC2)c2ccccc21 ZINC000906000059 1039230232 /nfs/dbraw/zinc/23/02/32/1039230232.db2.gz SFFIUSPIJHKWCW-OAHLLOKOSA-N -1 0 330.428 3.553 20 0 EHADRM CC(C)c1ccccc1[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C ZINC000416940140 1039241179 /nfs/dbraw/zinc/24/11/79/1039241179.db2.gz FIBLMIBZAZWKHF-CYBMUJFWSA-N -1 0 333.457 3.705 20 0 EHADRM CC(C)(C)c1ncsc1C(=O)NCCCCCCCC(=O)[O-] ZINC000236769407 1039252642 /nfs/dbraw/zinc/25/26/42/1039252642.db2.gz HLFPFNATGSFFOF-UHFFFAOYSA-N -1 0 326.462 3.596 20 0 EHADRM COC(=O)c1cc(Cl)sc1Nc1ccc(C(=O)[O-])c(C)c1 ZINC001211652768 1039273740 /nfs/dbraw/zinc/27/37/40/1039273740.db2.gz OTLBEQSEXOXFCU-UHFFFAOYSA-N -1 0 325.773 3.938 20 0 EHADRM CN(C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])[C@@H]1CCC(C)(C)C1 ZINC000478180898 1039277114 /nfs/dbraw/zinc/27/71/14/1039277114.db2.gz KDMHCTUNRXSYAB-CQSZACIVSA-N -1 0 347.846 3.882 20 0 EHADRM Cc1ccc(Cl)c(OCC(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC000325896494 1039290587 /nfs/dbraw/zinc/29/05/87/1039290587.db2.gz VFTRITHVSQDIAX-UHFFFAOYSA-N -1 0 347.798 3.683 20 0 EHADRM C[C@H](Nc1ccc(NC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])cc1)c1ccccc1 ZINC000911246980 1039298221 /nfs/dbraw/zinc/29/82/21/1039298221.db2.gz IOXCCCORHLXJKX-VHSSKADRSA-N -1 0 338.407 3.909 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000364003816 1039340188 /nfs/dbraw/zinc/34/01/88/1039340188.db2.gz PDHCKJSUXPNZOK-LLVKDONJSA-N -1 0 337.753 3.954 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 ZINC000911388928 1039341049 /nfs/dbraw/zinc/34/10/49/1039341049.db2.gz FDIBLHIEQSZMID-UHFFFAOYSA-N -1 0 329.352 3.767 20 0 EHADRM CC(C)(CCC(=O)[O-])C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000911422504 1039370554 /nfs/dbraw/zinc/37/05/54/1039370554.db2.gz ALCCHTBEABDBST-UHFFFAOYSA-N -1 0 332.444 3.897 20 0 EHADRM Cc1cccc2c1CCN2C(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000237550497 1039385831 /nfs/dbraw/zinc/38/58/31/1039385831.db2.gz XCOPSYAQXJNALO-ZDUSSCGKSA-N -1 0 341.432 3.763 20 0 EHADRM CC[C@H](C(=O)N[C@H](CC(=O)[O-])c1ccncc1)C1CCC(C)CC1 ZINC000911665192 1039446136 /nfs/dbraw/zinc/44/61/36/1039446136.db2.gz ZLHXEQUYHUAVCJ-YQEWQEHLSA-N -1 0 332.444 3.566 20 0 EHADRM COc1ccccc1[C@H]1C[C@H]1C(=O)Nc1cc(C(=O)[O-])c(C)cc1F ZINC000911680207 1039455088 /nfs/dbraw/zinc/45/50/88/1039455088.db2.gz BGPLJQPATBUZPP-ZIAGYGMSSA-N -1 0 343.354 3.583 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1cc(C(=O)[O-])c(C)cc1F ZINC000911682248 1039457617 /nfs/dbraw/zinc/45/76/17/1039457617.db2.gz XCBKUWINRVKPJS-VXGBXAGGSA-N -1 0 333.384 3.944 20 0 EHADRM COc1ccc2c(c1)[C@@H](C(=O)Nc1cc(C(=O)[O-])c(C)cc1F)CC2 ZINC000911685669 1039459781 /nfs/dbraw/zinc/45/97/81/1039459781.db2.gz CTZKRGCLNHQWRO-ZDUSSCGKSA-N -1 0 343.354 3.509 20 0 EHADRM CC[C@@H](C(=O)Nc1cc(C(=O)[O-])c(C)cc1F)c1ccc(OC)cc1 ZINC000911687209 1039460089 /nfs/dbraw/zinc/46/00/89/1039460089.db2.gz BVYUKDLYDTZOHY-CQSZACIVSA-N -1 0 345.370 3.973 20 0 EHADRM Cc1cc(F)c(NC(=O)CCC[C@H](O)c2ccccc2)cc1C(=O)[O-] ZINC000911688282 1039460134 /nfs/dbraw/zinc/46/01/34/1039460134.db2.gz KQDBGUSABVWCPZ-KRWDZBQOSA-N -1 0 345.370 3.675 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)[C@H]2SCCc3sccc32)cc1 ZINC000237951046 1039461939 /nfs/dbraw/zinc/46/19/39/1039461939.db2.gz JZAXOIFHEZXFRF-GIZXNFQBSA-N -1 0 345.445 3.815 20 0 EHADRM Cc1ccc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2F)c(C2CC2)n1 ZINC000911688804 1039462260 /nfs/dbraw/zinc/46/22/60/1039462260.db2.gz NRWPRQKKXJYPLZ-UHFFFAOYSA-N -1 0 328.343 3.665 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CC2(CCC2)c2c1cccc2F ZINC000911696301 1039466491 /nfs/dbraw/zinc/46/64/91/1039466491.db2.gz MCMQZZGWOKYFRN-UHFFFAOYSA-N -1 0 329.327 3.507 20 0 EHADRM O=C([O-])c1cccc(C(=O)NC23CCC(C(F)(F)F)(CC2)CC3)c1 ZINC000911696115 1039466596 /nfs/dbraw/zinc/46/65/96/1039466596.db2.gz BFKSNOPSAFUTEY-UHFFFAOYSA-N -1 0 341.329 3.770 20 0 EHADRM CCCN(C(=O)c1ccc(-c2ccccc2OC)s1)[C@H](C)C(=O)[O-] ZINC000911700695 1039473661 /nfs/dbraw/zinc/47/36/61/1039473661.db2.gz HLIWJOLENWNCLN-GFCCVEGCSA-N -1 0 347.436 3.749 20 0 EHADRM CC(C)Oc1c(NC(=O)C[C@@H](C)n2cccc2)cccc1C(=O)[O-] ZINC000911738805 1039481158 /nfs/dbraw/zinc/48/11/58/1039481158.db2.gz IISIDZLRJWKPLY-CYBMUJFWSA-N -1 0 330.384 3.563 20 0 EHADRM CC(C)(C(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000236691143 1039487137 /nfs/dbraw/zinc/48/71/37/1039487137.db2.gz VUGATESSLFEWQV-CYBMUJFWSA-N -1 0 337.847 3.721 20 0 EHADRM CCc1ccc([C@@H]2CCN(C(=O)c3cccc(CC(=O)[O-])c3)C2)cc1 ZINC000911755471 1039487461 /nfs/dbraw/zinc/48/74/61/1039487461.db2.gz BPXWBJOOPCYSBS-LJQANCHMSA-N -1 0 337.419 3.506 20 0 EHADRM CC(C)(C)c1ccc(CCCC(=O)[N-]S(=O)(=O)CCCF)cc1 ZINC000080315921 1039528050 /nfs/dbraw/zinc/52/80/50/1039528050.db2.gz GMCXGFWBWQZQJE-UHFFFAOYSA-N -1 0 343.464 3.953 20 0 EHADRM CC(C)Cc1n[n-]c(=NCc2ccc(-c3cccc(F)c3F)o2)o1 ZINC000478564865 1039528684 /nfs/dbraw/zinc/52/86/84/1039528684.db2.gz ZJOGBPYLNQCFIF-UHFFFAOYSA-N -1 0 333.338 3.840 20 0 EHADRM Cc1cc2[nH]c(CN=c3[n-]nc(CC(F)(F)F)s3)cc2c(C)c1 ZINC000478611973 1039565514 /nfs/dbraw/zinc/56/55/14/1039565514.db2.gz SUCOPTRLDGJNLE-UHFFFAOYSA-N -1 0 340.374 3.775 20 0 EHADRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N3CC(C)(C)[C@H]3C(C)C)n2)c1 ZINC000480496800 1039605021 /nfs/dbraw/zinc/60/50/21/1039605021.db2.gz WVORJATVIUGHFU-QGZVFWFLSA-N -1 0 345.418 3.532 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccnc(-c3ccccc3)c2)c(C)o1 ZINC000345078417 1039625987 /nfs/dbraw/zinc/62/59/87/1039625987.db2.gz RAADCMUNJXMBJD-UHFFFAOYSA-N -1 0 328.393 3.759 20 0 EHADRM CCSc1n[n-]c(=NC(=O)c2cc3cc(Cl)sc3[nH]2)s1 ZINC000485858280 1039635878 /nfs/dbraw/zinc/63/58/78/1039635878.db2.gz MPFQCXFNVIPNHG-UHFFFAOYSA-N -1 0 344.874 3.521 20 0 EHADRM CC(C)C[C@H]1C[C@H](N=c2[n-]nc(Cc3ccccc3)s2)CCO1 ZINC000554734701 1039651134 /nfs/dbraw/zinc/65/11/34/1039651134.db2.gz LTQAGEPMRGMYKO-CVEARBPZSA-N -1 0 331.485 3.556 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nc3c(ccc(F)c3C)s2)c(C)o1 ZINC000345079782 1039652760 /nfs/dbraw/zinc/65/27/60/1039652760.db2.gz LLYJJWRFUOGUNZ-UHFFFAOYSA-N -1 0 340.401 3.754 20 0 EHADRM FC(F)(F)c1nc(=N[C@@H]2CCOc3c(Cl)cccc32)s[n-]1 ZINC000552987716 1039689573 /nfs/dbraw/zinc/68/95/73/1039689573.db2.gz DBQLXVJXHUXZRK-MRVPVSSYSA-N -1 0 335.738 3.568 20 0 EHADRM COc1ccc(CCC(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)cc1F ZINC000485919732 1039703763 /nfs/dbraw/zinc/70/37/63/1039703763.db2.gz JAYQWBZQMYJDPU-UHFFFAOYSA-N -1 0 345.370 3.721 20 0 EHADRM CC(C)c1n[n-]c(=N[C@@H]2CCc3c2ccc(F)c3Br)o1 ZINC000584761351 1039733365 /nfs/dbraw/zinc/73/33/65/1039733365.db2.gz RKARORKCOIIXGD-LLVKDONJSA-N -1 0 340.196 3.616 20 0 EHADRM Cc1cccc(CO[N-]C(=O)[C@@H](C)Sc2ccc(Cl)cc2)n1 ZINC000898937852 1039743793 /nfs/dbraw/zinc/74/37/93/1039743793.db2.gz MFHWEJFOZRSZNQ-GFCCVEGCSA-N -1 0 336.844 3.772 20 0 EHADRM Cc1cccc(CO[N-]C(=O)CSCc2ccc(Cl)cc2)n1 ZINC000898938041 1039744595 /nfs/dbraw/zinc/74/45/95/1039744595.db2.gz QKRHKQZRXPZENK-UHFFFAOYSA-N -1 0 336.844 3.525 20 0 EHADRM O=C([O-])c1ccc2oc(/C=C\c3ccnn3-c3ccccc3)nc2c1 ZINC000485982150 1039746318 /nfs/dbraw/zinc/74/63/18/1039746318.db2.gz VADAMCGZBWUTNA-CLFYSBASSA-N -1 0 331.331 3.882 20 0 EHADRM O=S(=O)(CC1CCCC1)[N-][C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000485994910 1039768273 /nfs/dbraw/zinc/76/82/73/1039768273.db2.gz WGEZSELLZIXLFQ-ZDUSSCGKSA-N -1 0 339.354 3.539 20 0 EHADRM COc1ccccc1/C=C\c1nc(C(=O)[O-])c(Br)s1 ZINC000486004951 1039779960 /nfs/dbraw/zinc/77/99/60/1039779960.db2.gz VPSZNUBKFWJDEK-SREVYHEPSA-N -1 0 340.198 3.783 20 0 EHADRM CCCn1nc(C)c(/C=C/c2nc3cc(C(=O)[O-])ccc3o2)c1C ZINC000486107697 1039887533 /nfs/dbraw/zinc/88/75/33/1039887533.db2.gz ZTTOAJLNSXWZBL-SOFGYWHQSA-N -1 0 325.368 3.920 20 0 EHADRM FC(F)c1n[n-]c(=NCCc2csc(-c3ccccc3)n2)s1 ZINC000584799700 1039906872 /nfs/dbraw/zinc/90/68/72/1039906872.db2.gz AXTOXGLMCFNAKB-UHFFFAOYSA-N -1 0 338.408 3.676 20 0 EHADRM C[C@@H](CCSc1n[n-]c(=NC2CC2)s1)OCc1ccccc1 ZINC000473405094 1039931974 /nfs/dbraw/zinc/93/19/74/1039931974.db2.gz JNAIVMPIVCIRDT-LBPRGKRZSA-N -1 0 335.498 3.622 20 0 EHADRM Clc1cccc(Cl)c1CN=c1[n-]nc(-c2ccon2)s1 ZINC000553339092 1039988086 /nfs/dbraw/zinc/98/80/86/1039988086.db2.gz XNIVHVWLNUINAP-UHFFFAOYSA-N -1 0 327.196 3.534 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)c2ccc(OCC)c(C)c2)n1 ZINC000534320511 1039989993 /nfs/dbraw/zinc/98/99/93/1039989993.db2.gz YAUFRXULSCZPQX-UHFFFAOYSA-N -1 0 340.470 3.604 20 0 EHADRM CC(C)c1ncc(CN[C@@H](CC(=O)[O-])c2ccc(F)cc2F)s1 ZINC000417566688 1040017185 /nfs/dbraw/zinc/01/71/85/1040017185.db2.gz RIEOBEDLAYAPJP-AWEZNQCLSA-N -1 0 340.395 3.850 20 0 EHADRM Cc1cc(NCc2cnn(C(C)C)c2)ccc1-n1cccc1C(=O)[O-] ZINC000417587284 1040042591 /nfs/dbraw/zinc/04/25/91/1040042591.db2.gz DBXRTQVVAIGMAK-UHFFFAOYSA-N -1 0 338.411 3.873 20 0 EHADRM Cc1ccc2[nH]c(CN[C@@H](C)c3ncc(C(=O)[O-])s3)cc2c1C ZINC000584840349 1040044321 /nfs/dbraw/zinc/04/43/21/1040044321.db2.gz YSWOFGOGEVBOKS-NSHDSACASA-N -1 0 329.425 3.790 20 0 EHADRM CC(C)C[C@@H](CNC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000486275085 1040045223 /nfs/dbraw/zinc/04/52/23/1040045223.db2.gz YHBDQSLMOTTWCS-PWSUYJOCSA-N -1 0 346.254 3.960 20 0 EHADRM CCc1ccc([C@@H](NCc2cnc(C(F)(F)F)s2)C(=O)[O-])cc1 ZINC000417592768 1040046059 /nfs/dbraw/zinc/04/60/59/1040046059.db2.gz ZETXYHNMKHWBAB-GFCCVEGCSA-N -1 0 344.358 3.640 20 0 EHADRM CCc1ccc([C@H](NCc2cnc(C(F)(F)F)s2)C(=O)[O-])cc1 ZINC000417592770 1040048350 /nfs/dbraw/zinc/04/83/50/1040048350.db2.gz ZETXYHNMKHWBAB-LBPRGKRZSA-N -1 0 344.358 3.640 20 0 EHADRM C[C@@H]1C[C@@H](Sc2n[n-]c(=Nc3cccc(F)c3)s2)C[C@H](C)O1 ZINC000555006660 1040049684 /nfs/dbraw/zinc/04/96/84/1040049684.db2.gz UEZFMLYQFGOHQQ-DDFAGTSDSA-N -1 0 339.461 3.891 20 0 EHADRM C[C@H](Cc1ccc(NCc2ccnn2C2CCCC2)cc1)C(=O)[O-] ZINC000417606379 1040057711 /nfs/dbraw/zinc/05/77/11/1040057711.db2.gz DUMFRKGHYXFDBL-CQSZACIVSA-N -1 0 327.428 3.874 20 0 EHADRM CC(C)OC(=O)C[C@H](N=c1nc(C(C)(C)C)[n-]s1)c1ccccc1 ZINC000489581750 1040081766 /nfs/dbraw/zinc/08/17/66/1040081766.db2.gz GFGNQQZGFUIYOL-AWEZNQCLSA-N -1 0 347.484 3.752 20 0 EHADRM O=C([O-])CCCc1ccccc1NCc1cncc(Br)c1 ZINC000417625901 1040102832 /nfs/dbraw/zinc/10/28/32/1040102832.db2.gz QFCIHORXCCGBCW-UHFFFAOYSA-N -1 0 349.228 3.864 20 0 EHADRM Cc1oc(C(C)(C)C)cc1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000907627611 1040110704 /nfs/dbraw/zinc/11/07/04/1040110704.db2.gz HMKAWYOYGDUUAU-UHFFFAOYSA-N -1 0 331.368 3.601 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)[C@]2(C)CCC(C)=C(C)C2)sc1C(=O)[O-] ZINC000907629777 1040111015 /nfs/dbraw/zinc/11/10/15/1040111015.db2.gz TWVXBHQYAKGPNY-SJKOYZFVSA-N -1 0 336.457 3.854 20 0 EHADRM CCc1nn(C)c(CC)c1CNc1ccc(S[C@H](C)C(=O)[O-])cc1 ZINC000417660246 1040123397 /nfs/dbraw/zinc/12/33/97/1040123397.db2.gz QBOOBXZKLKKMJL-GFCCVEGCSA-N -1 0 347.484 3.722 20 0 EHADRM CC(C)(C)Cc1ccccc1C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000907646592 1040127544 /nfs/dbraw/zinc/12/75/44/1040127544.db2.gz XBDROEFIEJLWJJ-UHFFFAOYSA-N -1 0 343.427 3.544 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2cc(C3CC3)oc2C2CC2)s1 ZINC000907684142 1040129326 /nfs/dbraw/zinc/12/93/26/1040129326.db2.gz TXRYFRAHNFFQDS-UHFFFAOYSA-N -1 0 331.393 3.724 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2nc(C3CCC3)cs2)C[C@H]1c1ccccc1 ZINC000907767317 1040158840 /nfs/dbraw/zinc/15/88/40/1040158840.db2.gz SKUMZIBTJWXNBQ-SCLBCKFNSA-N -1 0 342.420 3.608 20 0 EHADRM COc1ccc(-c2csc(N3CCC(C)CC3)n2)c2occ([O-])c21 ZINC000555121109 1040172154 /nfs/dbraw/zinc/17/21/54/1040172154.db2.gz SFTAXKBNAUDBGJ-UHFFFAOYSA-N -1 0 344.436 3.630 20 0 EHADRM Cc1c(CSC(C)C)cccc1NC(=O)N(C)CCCC(=O)[O-] ZINC000417745845 1040210824 /nfs/dbraw/zinc/21/08/24/1040210824.db2.gz GDFFWVXJLWLBEA-UHFFFAOYSA-N -1 0 338.473 3.965 20 0 EHADRM CC[C@H](CC(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC000236930981 1040241818 /nfs/dbraw/zinc/24/18/18/1040241818.db2.gz OTZGIEHYIYLNFS-IEBWSBKVSA-N -1 0 339.435 3.630 20 0 EHADRM CC(C)(C)Cc1ccccc1C(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@H]12 ZINC000907969318 1040251533 /nfs/dbraw/zinc/25/15/33/1040251533.db2.gz KNLLGBBDRRXUCX-NXNVCVFFSA-N -1 0 329.440 3.504 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)c1cccc(Oc2nccs2)c1 ZINC000908025378 1040265556 /nfs/dbraw/zinc/26/55/56/1040265556.db2.gz VPEPQKKAESQCDI-ZDUSSCGKSA-N -1 0 348.424 3.555 20 0 EHADRM Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000668642268 1040268263 /nfs/dbraw/zinc/26/82/63/1040268263.db2.gz UDKGMZXGGZNSMW-OAHLLOKOSA-N -1 0 339.395 3.754 20 0 EHADRM C[C@@H](CC(=O)N(C)c1cccc(CC(=O)[O-])c1)c1cccc(F)c1 ZINC000908079918 1040289732 /nfs/dbraw/zinc/28/97/32/1040289732.db2.gz LUNXQWWFSLJXNV-ZDUSSCGKSA-N -1 0 329.371 3.609 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000479499283 1040306983 /nfs/dbraw/zinc/30/69/83/1040306983.db2.gz NUCZYURCPPZDCJ-UHFFFAOYSA-N -1 0 344.205 3.697 20 0 EHADRM O=C(CCC1CCCCC1)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC000908159984 1040312448 /nfs/dbraw/zinc/31/24/48/1040312448.db2.gz IBSBXXNEPTWPJG-SWKXRBFHSA-N -1 0 339.501 3.592 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCc2cc3ccccc3o2)c(F)c1 ZINC000479528089 1040324875 /nfs/dbraw/zinc/32/48/75/1040324875.db2.gz MWYYOSTYKPETHW-UHFFFAOYSA-N -1 0 327.311 3.841 20 0 EHADRM Cc1cccc(CN(CC(C)C)C(=O)c2ccc3oc(=O)nc-3[n-]2)c1 ZINC000667508111 1040329909 /nfs/dbraw/zinc/32/99/09/1040329909.db2.gz STPBZLQBYUYNFT-UHFFFAOYSA-N -1 0 339.395 3.535 20 0 EHADRM O=c1c(C(F)(F)F)c(C2CC2)[n-]n1-c1cccc(Br)c1 ZINC000899346457 1040351497 /nfs/dbraw/zinc/35/14/97/1040351497.db2.gz OMHYKCKMKOBXGH-SNVBAGLBSA-N -1 0 347.134 3.740 20 0 EHADRM Cc1cc2ccccc2nc1-n1[n-]c(C2CC2)c(C(F)(F)F)c1=O ZINC000899352770 1040358548 /nfs/dbraw/zinc/35/85/48/1040358548.db2.gz OTYBVXNHZVPMPG-ZDUSSCGKSA-N -1 0 333.313 3.834 20 0 EHADRM O=C([O-])C[C@@H](Cc1ccccc1)NC(=O)c1ccsc1C(F)F ZINC000908233797 1040361715 /nfs/dbraw/zinc/36/17/15/1040361715.db2.gz BARQMOINKXIYCE-LLVKDONJSA-N -1 0 339.363 3.502 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)c2cscc2C(F)(F)F)CCC1 ZINC000908338738 1040398757 /nfs/dbraw/zinc/39/87/57/1040398757.db2.gz PDRCWFOLGNKTLL-UHFFFAOYSA-N -1 0 349.374 3.922 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)c2cnc(-c3ccco3)s2)CCC1 ZINC000908340984 1040402684 /nfs/dbraw/zinc/40/26/84/1040402684.db2.gz INVGKSWXEZGOEH-UHFFFAOYSA-N -1 0 348.424 3.558 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)c2cc(F)cc3ccoc32)CCC1 ZINC000908328307 1040410192 /nfs/dbraw/zinc/41/01/92/1040410192.db2.gz KNOHLOSVHSNCPW-UHFFFAOYSA-N -1 0 333.359 3.727 20 0 EHADRM C[C@H](C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000908374373 1040417433 /nfs/dbraw/zinc/41/74/33/1040417433.db2.gz YSEYECIYPZOIFE-JBLDHEPKSA-N -1 0 344.238 3.857 20 0 EHADRM CCC[C@@H](C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1)c1cccc(Cl)c1 ZINC000908376721 1040420450 /nfs/dbraw/zinc/42/04/50/1040420450.db2.gz UEPDOZFUUNBDKX-APHBMKBZSA-N -1 0 337.847 3.983 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)C1 ZINC000908376508 1040420735 /nfs/dbraw/zinc/42/07/35/1040420735.db2.gz YINYZPIAAQIARV-OPGCRTJHSA-N -1 0 337.419 3.703 20 0 EHADRM CCC[C@@](C)(NC(=O)Nc1cccc(COC(C)(C)C)c1)C(=O)[O-] ZINC000908635996 1040541205 /nfs/dbraw/zinc/54/12/05/1040541205.db2.gz OXHAMTGDORCRAF-GOSISDBHSA-N -1 0 336.432 3.767 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)Nc1nc(C2CC2)cs1 ZINC000908648758 1040555181 /nfs/dbraw/zinc/55/51/81/1040555181.db2.gz WQPYHEHJCRDUEE-LLVKDONJSA-N -1 0 345.424 3.528 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1coc(C2CCCCC2)n1 ZINC000908650360 1040556053 /nfs/dbraw/zinc/55/60/53/1040556053.db2.gz ZUNTXDYAKCGVKE-UHFFFAOYSA-N -1 0 340.379 3.623 20 0 EHADRM CCc1oc(C(=O)N[C@@H](C)c2ccccc2OC(C)C)cc1C(=O)[O-] ZINC000555424564 1040569400 /nfs/dbraw/zinc/56/94/00/1040569400.db2.gz KKBJGYLTOGGFHA-LBPRGKRZSA-N -1 0 345.395 3.818 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000908697880 1040581228 /nfs/dbraw/zinc/58/12/28/1040581228.db2.gz MAQTWPSQOJDDTN-UHFFFAOYSA-N -1 0 341.285 3.577 20 0 EHADRM CCOc1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1Cl ZINC000908718492 1040588007 /nfs/dbraw/zinc/58/80/07/1040588007.db2.gz WBRXFXQIYJOMIA-UHFFFAOYSA-N -1 0 337.803 3.712 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)(CC1)CC2 ZINC000908707169 1040602756 /nfs/dbraw/zinc/60/27/56/1040602756.db2.gz PXRLDWQJDUYJBF-XRQSOVCCSA-N -1 0 333.472 3.887 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)NCCCc1ccc(Cl)cc1 ZINC000908771156 1040644722 /nfs/dbraw/zinc/64/47/22/1040644722.db2.gz QUDWLBWWOAOZGG-UHFFFAOYSA-N -1 0 345.826 3.720 20 0 EHADRM CC/C(C)=C\C(=O)N[C@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000908858506 1040693210 /nfs/dbraw/zinc/69/32/10/1040693210.db2.gz WSYGJKMZFDQNQZ-CHOZFAJLSA-N -1 0 345.317 3.574 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)CC(C)(C)CC(F)F)c1ccccc1 ZINC000909064720 1040787094 /nfs/dbraw/zinc/78/70/94/1040787094.db2.gz FVTSNFACWDWMNZ-IAQYHMDHSA-N -1 0 327.371 3.636 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)CC(C)(C)CC(F)(F)F)c1ccccc1 ZINC000909067780 1040789507 /nfs/dbraw/zinc/78/95/07/1040789507.db2.gz SNGBTIHLAOHMLI-RISCZKNCSA-N -1 0 345.361 3.933 20 0 EHADRM O=C(C=CCc1cccc(F)c1)N=c1nc(-c2ccsc2)[n-]s1 ZINC000487272720 1040866976 /nfs/dbraw/zinc/86/69/76/1040866976.db2.gz WOLINFBQYDNWHK-DUXPYHPUSA-N -1 0 345.424 3.870 20 0 EHADRM CCOCc1ccc(-c2nc(C(F)(F)F)c(C(=O)[O-])o2)cc1F ZINC000899633567 1040883915 /nfs/dbraw/zinc/88/39/15/1040883915.db2.gz COBRDXMSDNLKGJ-UHFFFAOYSA-N -1 0 333.237 3.734 20 0 EHADRM O=C(N[C@@H]1CCc2c1cccc2O)c1ccc2[n-]c(=S)oc2c1 ZINC000074677378 1040987089 /nfs/dbraw/zinc/98/70/89/1040987089.db2.gz ZWADMRBERIRBAS-GFCCVEGCSA-N -1 0 326.377 3.613 20 0 EHADRM CC(C(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1)=C1CCC1 ZINC000909806902 1041018487 /nfs/dbraw/zinc/01/84/87/1041018487.db2.gz GWNDMFMZSRKDBP-UHFFFAOYSA-N -1 0 342.420 3.625 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)s1 ZINC000909845772 1041037498 /nfs/dbraw/zinc/03/74/98/1041037498.db2.gz GLNLGCZZEPDWMP-OLZOCXBDSA-N -1 0 335.812 3.520 20 0 EHADRM CCC[C@@H](OC)c1noc(-c2ccc(Br)cc2[O-])n1 ZINC000157390718 1041045903 /nfs/dbraw/zinc/04/59/03/1041045903.db2.gz LZEFTKUEEOXIKX-LLVKDONJSA-N -1 0 327.178 3.692 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1ccccc1OCc1ccccc1 ZINC000909899685 1041058602 /nfs/dbraw/zinc/05/86/02/1041058602.db2.gz BBTXFZAOTLEGLF-KRWDZBQOSA-N -1 0 327.380 3.561 20 0 EHADRM Cc1ccc([C@@H](NC(=O)c2cc(F)c(F)c([O-])c2F)C2CC2)cc1 ZINC000509809660 1041071211 /nfs/dbraw/zinc/07/12/11/1041071211.db2.gz QQEPOBPLTVQATP-MRXNPFEDSA-N -1 0 335.325 3.999 20 0 EHADRM CC(C)c1ccc2c(c1)CN(C(=O)C13CCC(C(=O)[O-])(CC1)C3)CC2 ZINC000909942017 1041073184 /nfs/dbraw/zinc/07/31/84/1041073184.db2.gz DUMRSYNCCDOCQJ-UHFFFAOYSA-N -1 0 341.451 3.730 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1ccccc1Br ZINC000899760134 1041086954 /nfs/dbraw/zinc/08/69/54/1041086954.db2.gz XSDNXXNPHZCACC-SNVBAGLBSA-N -1 0 328.206 3.525 20 0 EHADRM CC(C)(C)c1ccc(OCC(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000555741694 1041087957 /nfs/dbraw/zinc/08/79/57/1041087957.db2.gz ROTAZBPSBXOYRX-UHFFFAOYSA-N -1 0 333.409 3.761 20 0 EHADRM CCC[C@@H](NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-])c1ccccc1 ZINC000899762783 1041091352 /nfs/dbraw/zinc/09/13/52/1041091352.db2.gz XAXJFNUBHNZOLG-SUFIHLRJSA-N -1 0 327.424 3.557 20 0 EHADRM Cc1ccc([C@H](CC(=O)N[C@H](C)c2c(F)cccc2F)C(=O)[O-])cc1 ZINC000899765014 1041092622 /nfs/dbraw/zinc/09/26/22/1041092622.db2.gz OENQWJPFESOKHJ-OCCSQVGLSA-N -1 0 347.361 3.709 20 0 EHADRM CCC[C@@H](NC(=O)C[C@@H](C(=O)[O-])c1ccc(C)cc1)c1ccccn1 ZINC000899765255 1041093261 /nfs/dbraw/zinc/09/32/61/1041093261.db2.gz CBKWHVQGQLLJQY-SJLPKXTDSA-N -1 0 340.423 3.606 20 0 EHADRM Cc1ccc([C@H](CC(=O)Nc2ccccc2OC(C)C)C(=O)[O-])cc1 ZINC000899766746 1041094521 /nfs/dbraw/zinc/09/45/21/1041094521.db2.gz VQZSSGOEFOYQHG-INIZCTEOSA-N -1 0 341.407 3.979 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)N[C@H](C)c1ccc2ncsc2c1 ZINC000899779500 1041103414 /nfs/dbraw/zinc/10/34/14/1041103414.db2.gz AFEKDUKGMVZHBI-YPMHNXCESA-N -1 0 334.441 3.611 20 0 EHADRM COc1cc(C)c(NC(=O)C[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1C ZINC000899779343 1041103533 /nfs/dbraw/zinc/10/35/33/1041103533.db2.gz OONQHQOUNALVHI-MRXNPFEDSA-N -1 0 341.407 3.817 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)N[C@H](C)c1nc2ccccc2s1 ZINC000899771560 1041107157 /nfs/dbraw/zinc/10/71/57/1041107157.db2.gz SENLYVKVFPXKMX-VXGBXAGGSA-N -1 0 334.441 3.611 20 0 EHADRM CC(F)(F)c1cccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C(=O)[O-])c1 ZINC000899782422 1041108066 /nfs/dbraw/zinc/10/80/66/1041108066.db2.gz UUOXCAPEGCOWPC-IWBURCCVSA-N -1 0 335.350 3.650 20 0 EHADRM Cc1ccc([C@H](CC(=O)N[C@@H](C)C2CCC(F)CC2)C(=O)[O-])cc1 ZINC000899792154 1041117996 /nfs/dbraw/zinc/11/79/96/1041117996.db2.gz MQDBBPMXJPNQSH-DXCHVLGVSA-N -1 0 335.419 3.586 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccc(C)c(-c2ncco2)c1 ZINC000481600096 1041131600 /nfs/dbraw/zinc/13/16/00/1041131600.db2.gz QUFAEHGZWRJBHT-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N2CCC[C@@H]2c2ccsc2)C(=O)[O-])cc1 ZINC000899799528 1041136705 /nfs/dbraw/zinc/13/67/05/1041136705.db2.gz RCVNIQZNHIJJMM-IAGOWNOFSA-N -1 0 343.448 3.979 20 0 EHADRM Cc1c(NC(=O)C2(C3CC3)CC2)cc(Br)cc1C(=O)[O-] ZINC000910081801 1041165821 /nfs/dbraw/zinc/16/58/21/1041165821.db2.gz LFQYEBGPVHOREM-UHFFFAOYSA-N -1 0 338.201 3.584 20 0 EHADRM Cc1c(NC(=O)C(C)(C)C2CC2)cc(Br)cc1C(=O)[O-] ZINC000910084454 1041167627 /nfs/dbraw/zinc/16/76/27/1041167627.db2.gz UVMITIYEKNNQAY-UHFFFAOYSA-N -1 0 340.217 3.830 20 0 EHADRM Cc1cc(-c2ccc3c(c2)CC[C@H]3C(=O)[O-])ccc1O[C@@H]1CCOC1 ZINC000571060161 1041172814 /nfs/dbraw/zinc/17/28/14/1041172814.db2.gz APSSVCNMGTZUNS-IEBWSBKVSA-N -1 0 338.403 3.944 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N2CCc3ccccc3[C@H]2C)C(=O)[O-])cc1 ZINC000899818796 1041175704 /nfs/dbraw/zinc/17/57/04/1041175704.db2.gz IJBYBJJUQCWNNY-DNVCBOLYSA-N -1 0 337.419 3.699 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)C[C@H](C(=O)[O-])c1ccc(C)cc1)C(F)(F)F ZINC000899829497 1041188115 /nfs/dbraw/zinc/18/81/15/1041188115.db2.gz CSAALWCYPNPIRQ-CORIIIEPSA-N -1 0 345.361 3.647 20 0 EHADRM CC(C)C[C@@](C)(CC(=O)[O-])C(=O)Nc1cccc(-c2ccon2)c1 ZINC000899847163 1041197035 /nfs/dbraw/zinc/19/70/35/1041197035.db2.gz QEVUTPBCVMUFLB-SFHVURJKSA-N -1 0 330.384 3.807 20 0 EHADRM C/C=C\C[C@H](NC(=O)Nc1ccc(SC)c(Cl)c1)C(=O)[O-] ZINC000555851182 1041226221 /nfs/dbraw/zinc/22/62/21/1041226221.db2.gz MKSNSGUFYRMYKE-BYCRGOAPSA-N -1 0 328.821 3.603 20 0 EHADRM CCC[C@]1(C)CCCN(C(=O)c2nn(-c3cccc(F)c3)cc2[O-])C1 ZINC000555849421 1041237515 /nfs/dbraw/zinc/23/75/15/1041237515.db2.gz PHNVXGBMQVRTNW-LJQANCHMSA-N -1 0 345.418 3.759 20 0 EHADRM C[C@@H](NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-])c1cccc2ccccc21 ZINC000899855870 1041238399 /nfs/dbraw/zinc/23/83/99/1041238399.db2.gz LJEXPLASJJKCOQ-JHJVBQTASA-N -1 0 331.437 3.612 20 0 EHADRM C[C@]1(NC(=O)Cc2ccc(Cl)cc2Cl)CCCC[C@H]1C(=O)[O-] ZINC000432104491 1041594474 /nfs/dbraw/zinc/59/44/74/1041594474.db2.gz AFQBNFMLZIKNTN-LRDDRELGSA-N -1 0 344.238 3.686 20 0 EHADRM C[C@]1(NC(=O)C[C@@H]2CCCc3ccccc32)CCCC[C@@H]1C(=O)[O-] ZINC000432109987 1041604356 /nfs/dbraw/zinc/60/43/56/1041604356.db2.gz UXCPTFYTVPZKLI-VPWXQRGCSA-N -1 0 329.440 3.646 20 0 EHADRM Cc1ccc(OCCCC(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])cc1C ZINC000432112761 1041608859 /nfs/dbraw/zinc/60/88/59/1041608859.db2.gz DBBSGISBALRDCK-PXNSSMCTSA-N -1 0 347.455 3.612 20 0 EHADRM CCc1ccc(CN(Cc2c([O-])nnn2-c2ccccc2)C2CC2)cc1 ZINC000511787259 1041617675 /nfs/dbraw/zinc/61/76/75/1041617675.db2.gz QLCNTPUWWPUZGG-UHFFFAOYSA-N -1 0 348.450 3.700 20 0 EHADRM C[C@H](N=c1[n-]nc(C(F)F)o1)c1ccc(Oc2cccnc2)cc1 ZINC000432134228 1041630493 /nfs/dbraw/zinc/63/04/93/1041630493.db2.gz CLZFGLNMZIRQMT-JTQLQIEISA-N -1 0 332.310 3.790 20 0 EHADRM CC(C)c1n[n-]c(=NCc2ccc(N(C)c3ccccc3)nc2)s1 ZINC000432132949 1041632776 /nfs/dbraw/zinc/63/27/76/1041632776.db2.gz JFCLYFVYFVEDLZ-UHFFFAOYSA-N -1 0 339.468 3.858 20 0 EHADRM Cc1ccccc1[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000909343388 1041673116 /nfs/dbraw/zinc/67/31/16/1041673116.db2.gz SAZYZMVWBHEGFY-PXAZEXFGSA-N -1 0 347.361 3.709 20 0 EHADRM Cc1cc(Nc2cc(OC(F)(F)F)ccc2N)ccc1C(=O)[O-] ZINC001211660833 1041703530 /nfs/dbraw/zinc/70/35/30/1041703530.db2.gz OBAQUPPLEZFDDE-UHFFFAOYSA-N -1 0 326.274 3.918 20 0 EHADRM Cc1cc(Nc2ccc3c(c2)C(C)(C)NC(=O)N3)ccc1C(=O)[O-] ZINC001211663401 1041858814 /nfs/dbraw/zinc/85/88/14/1041858814.db2.gz ILARGNBTBKSZHR-UHFFFAOYSA-N -1 0 325.368 3.807 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)c(Cl)n1)c1ccccc1Cl ZINC000187755896 1042043470 /nfs/dbraw/zinc/04/34/70/1042043470.db2.gz ZGGGWAVIFAKBNT-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM COCc1cc(N2CCC(CCC(=O)[O-])CC2)c2cc(F)ccc2n1 ZINC000662883648 1042183313 /nfs/dbraw/zinc/18/33/13/1042183313.db2.gz NWCOKBQYMPDOBC-UHFFFAOYSA-N -1 0 346.402 3.602 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)CC(C)(C)CC(F)(F)F ZINC000909370962 1042250562 /nfs/dbraw/zinc/25/05/62/1042250562.db2.gz PXYMCGWFTWEUTJ-ZDUSSCGKSA-N -1 0 345.361 3.996 20 0 EHADRM CC(C)[C@@H](NC(=O)CC1CCC(C(=O)[O-])CC1)c1ccccc1F ZINC000659180309 1042276469 /nfs/dbraw/zinc/27/64/69/1042276469.db2.gz UIDYTYMDELSDEW-WTNGLUPJSA-N -1 0 335.419 3.920 20 0 EHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)N=c2ncn(C(C)(C)C)[n-]2)o1 ZINC000408189360 1042304828 /nfs/dbraw/zinc/30/48/28/1042304828.db2.gz NCTMIQWCSPFRCD-AWEZNQCLSA-N -1 0 345.447 3.506 20 0 EHADRM O=C([O-])C1(C(=O)NCc2ccc(C(F)F)cc2)CCCCCC1 ZINC000663045772 1042392314 /nfs/dbraw/zinc/39/23/14/1042392314.db2.gz YPKQZMIDDXXDFA-UHFFFAOYSA-N -1 0 325.355 3.666 20 0 EHADRM CCCN(C(=O)c1ccc(C(=O)[O-])s1)[C@H]1CCc2ccccc2C1 ZINC000236757361 1042401946 /nfs/dbraw/zinc/40/19/46/1042401946.db2.gz SLWWPTMLGUAPHH-HNNXBMFYSA-N -1 0 343.448 3.856 20 0 EHADRM Cc1c(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)cccc1OCC(F)(F)F ZINC000663079669 1042428504 /nfs/dbraw/zinc/42/85/04/1042428504.db2.gz MMDVNVNOKQSGDN-GFCCVEGCSA-N -1 0 347.333 3.622 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c1 ZINC000487370507 1042445677 /nfs/dbraw/zinc/44/56/77/1042445677.db2.gz JLMUAUXSHGSGKT-UHFFFAOYSA-N -1 0 337.828 3.638 20 0 EHADRM CC[C@@H]1CN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CCS1 ZINC000652418736 1042466895 /nfs/dbraw/zinc/46/68/95/1042466895.db2.gz JNWFRKVFVXWQGT-MFKMUULPSA-N -1 0 334.268 3.947 20 0 EHADRM O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000652435164 1042474985 /nfs/dbraw/zinc/47/49/85/1042474985.db2.gz RWKGHGJPNTWQRG-PBHICJAKSA-N -1 0 331.799 3.619 20 0 EHADRM O=C([O-])[C@@H](c1ccccc1)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000652435166 1042475161 /nfs/dbraw/zinc/47/51/61/1042475161.db2.gz RWKGHGJPNTWQRG-WMLDXEAASA-N -1 0 331.799 3.619 20 0 EHADRM O=C([O-])c1ccccc1CN1CCO[C@@H](c2c(F)cccc2Cl)C1 ZINC000652436558 1042478842 /nfs/dbraw/zinc/47/88/42/1042478842.db2.gz OIBMILDIOKFNQP-MRXNPFEDSA-N -1 0 349.789 3.751 20 0 EHADRM CC(C)[C@H](C(=O)NC[C@@H](C(=O)[O-])C1CCC1)c1cccc(Cl)c1 ZINC000663147775 1042492486 /nfs/dbraw/zinc/49/24/86/1042492486.db2.gz OJBOMDNJQRGQCB-CVEARBPZSA-N -1 0 337.847 3.697 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1sccc1-c1ccccc1)C1CCC1 ZINC000663147306 1042494434 /nfs/dbraw/zinc/49/44/34/1042494434.db2.gz MRNARLNEKIYKNK-HNNXBMFYSA-N -1 0 329.421 3.646 20 0 EHADRM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663154630 1042500171 /nfs/dbraw/zinc/50/01/71/1042500171.db2.gz KENAPJAPWCTPLJ-YOEHRIQHSA-N -1 0 346.471 3.682 20 0 EHADRM O=C([O-])c1cccc2c1C[N@H+](CCOc1ccc(F)cc1Cl)CC2 ZINC000652487462 1042504142 /nfs/dbraw/zinc/50/41/42/1042504142.db2.gz GQKKHDSSFZMQMH-UHFFFAOYSA-N -1 0 349.789 3.614 20 0 EHADRM CN(C)c1nc2cc(NC(=O)c3cc(F)c([O-])c(Cl)c3)ccc2o1 ZINC000184508473 1042569559 /nfs/dbraw/zinc/56/95/59/1042569559.db2.gz BWIJXBQOSTUJAB-UHFFFAOYSA-N -1 0 349.749 3.644 20 0 EHADRM C[C@H]1SCCN(C(=O)c2cccc(F)c2[O-])[C@H]1c1ccccc1 ZINC001126204875 1042573183 /nfs/dbraw/zinc/57/31/83/1042573183.db2.gz TWKMHYWHZGLDQD-MLGOLLRUSA-N -1 0 331.412 3.850 20 0 EHADRM COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000185100292 1042625070 /nfs/dbraw/zinc/62/50/70/1042625070.db2.gz NNRLMJPPZJPGBB-NSHDSACASA-N -1 0 347.798 3.650 20 0 EHADRM COc1cc(/C=C\c2ncc(C(=O)[O-])c(C(C)C)n2)cc(Cl)c1O ZINC000255759074 1042639997 /nfs/dbraw/zinc/63/99/97/1042639997.db2.gz JZOQVOSWJXJSJH-PLNGDYQASA-N -1 0 348.786 3.836 20 0 EHADRM Cn1c2ccccc2nc1C(C)(C)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000186406436 1042660586 /nfs/dbraw/zinc/66/05/86/1042660586.db2.gz AOQFZGQPPXENED-UHFFFAOYSA-N -1 0 343.814 3.597 20 0 EHADRM CSc1cccc(C)c1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000185336634 1042660910 /nfs/dbraw/zinc/66/09/10/1042660910.db2.gz DQIUOVMZYACRFY-UHFFFAOYSA-N -1 0 329.393 3.796 20 0 EHADRM COc1ccc(C[C@H](C)CN(C)C(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000186978957 1042735810 /nfs/dbraw/zinc/73/58/10/1042735810.db2.gz LNYHQRFUYFBZDM-LBPRGKRZSA-N -1 0 349.377 3.630 20 0 EHADRM Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)ccc1Cl ZINC000659194754 1042741131 /nfs/dbraw/zinc/74/11/31/1042741131.db2.gz UTSULXQXENICRE-YCPHGPKFSA-N -1 0 335.831 3.754 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1cccc2ncccc12 ZINC000187016989 1042744754 /nfs/dbraw/zinc/74/47/54/1042744754.db2.gz FWDCKVCADLPVDC-UHFFFAOYSA-N -1 0 330.434 3.758 20 0 EHADRM Cc1oc2ccc(NC(=O)NC[C@H](C(=O)[O-])C3CCC3)cc2c1C ZINC000663352849 1042744816 /nfs/dbraw/zinc/74/48/16/1042744816.db2.gz VWJQQFMDDUFKIE-HNNXBMFYSA-N -1 0 330.384 3.672 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2N(C)C)c(F)c1 ZINC000303263749 1042920287 /nfs/dbraw/zinc/92/02/87/1042920287.db2.gz IGFRKOGYYWOHCW-UHFFFAOYSA-N -1 0 342.823 3.654 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1CCC[C@]1(C)C(=O)[O-] ZINC000317654253 1043016297 /nfs/dbraw/zinc/01/62/97/1043016297.db2.gz DCHWDMXHVPAYON-WNMQOVRZSA-N -1 0 341.860 3.580 20 0 EHADRM COc1cccc2c1OCC[C@H]2N=c1[n-]nc(-c2ccccc2)s1 ZINC000585743608 1043017989 /nfs/dbraw/zinc/01/79/89/1043017989.db2.gz GDSOGKWBUPRBJN-CQSZACIVSA-N -1 0 339.420 3.571 20 0 EHADRM Fc1ccc(CN=c2[n-]nc(-c3ccco3)o2)c(Cl)c1Cl ZINC000432413784 1043119854 /nfs/dbraw/zinc/11/98/54/1043119854.db2.gz OPYFUVNDPHWCSP-UHFFFAOYSA-N -1 0 328.130 3.810 20 0 EHADRM COc1cccc(Cl)c1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000344050991 1043170650 /nfs/dbraw/zinc/17/06/50/1043170650.db2.gz QPLFCKYRJITCND-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)C[C@@H]1C(=O)[O-] ZINC000647755596 1043374326 /nfs/dbraw/zinc/37/43/26/1043374326.db2.gz UNTDGJXLASVUEJ-KSSFIOAISA-N -1 0 339.391 3.662 20 0 EHADRM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)[C@H]1CCC[C@@H](O)C1 ZINC000473222037 1043756407 /nfs/dbraw/zinc/75/64/07/1043756407.db2.gz WANAKEFACJBALD-NKWVEPMBSA-N -1 0 338.618 3.842 20 0 EHADRM COc1ccc(CCCCC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000512259296 1044440941 /nfs/dbraw/zinc/44/09/41/1044440941.db2.gz JJVNYOCDJDRGGY-UHFFFAOYSA-N -1 0 327.380 3.745 20 0 EHADRM CSc1cccc(S(=O)(=O)[N-]c2cc(-c3ccc(C)o3)[nH]n2)c1 ZINC000337786111 1044452013 /nfs/dbraw/zinc/45/20/13/1044452013.db2.gz XFCWMABVVZKHCC-UHFFFAOYSA-N -1 0 349.437 3.501 20 0 EHADRM O=C(Nc1cccc2cccnc21)c1nn(-c2ccccc2F)cc1[O-] ZINC000344817021 1044463227 /nfs/dbraw/zinc/46/32/27/1044463227.db2.gz SNXWPRFNXBOMNL-UHFFFAOYSA-N -1 0 348.337 3.518 20 0 EHADRM Cc1ccc(C2CC2)c(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1 ZINC000644874681 1044485432 /nfs/dbraw/zinc/48/54/32/1044485432.db2.gz MHYOAVVIPSPKSN-IBGZPJMESA-N -1 0 335.403 3.697 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@@H]2COc3c2ccc(Cl)c3Cl)s[n-]1 ZINC000337847497 1044497648 /nfs/dbraw/zinc/49/76/48/1044497648.db2.gz DNAUWOKYBGMCTR-IMTBSYHQSA-N -1 0 346.239 3.520 20 0 EHADRM O=C(CCCn1cccn1)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000344949580 1044718370 /nfs/dbraw/zinc/71/83/70/1044718370.db2.gz LATRDNNYYDUMRB-UHFFFAOYSA-N -1 0 348.617 3.968 20 0 EHADRM COC(=O)c1c[nH]c(S[C@H](C)C(=O)c2ccc(C(C)C)cc2)n1 ZINC000432674781 1044731170 /nfs/dbraw/zinc/73/11/70/1044731170.db2.gz DVNSEVKFHKBKRI-LLVKDONJSA-N -1 0 332.425 3.683 20 0 EHADRM CN(C[C@@H]1CCc2ccccc21)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000620687529 1125645238 /nfs/dbraw/zinc/64/52/38/1125645238.db2.gz NVOVGNMGSPMAIS-LBPRGKRZSA-N -1 0 333.790 3.987 20 0 EHADRM O=C(CSCc1ccccn1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000154692842 1125745892 /nfs/dbraw/zinc/74/58/92/1125745892.db2.gz AZJJQGHTYQTHKA-UHFFFAOYSA-N -1 0 343.235 3.966 20 0 EHADRM Cc1nc(CN[C@@H](Cc2cccc3ccccc32)C(=O)[O-])sc1C ZINC000900035824 1126127895 /nfs/dbraw/zinc/12/78/95/1126127895.db2.gz ODNCRICNBIINSU-KRWDZBQOSA-N -1 0 340.448 3.699 20 0 EHADRM CC[C@](NCc1cnc(C2CCC2)s1)(C(=O)[O-])c1ccccc1 ZINC000901645920 1126128730 /nfs/dbraw/zinc/12/87/30/1126128730.db2.gz IFMQPLQNLGRMNB-GOSISDBHSA-N -1 0 330.453 3.890 20 0 EHADRM CC[C@@](NCc1cnc(C2CCC2)s1)(C(=O)[O-])c1ccccc1 ZINC000901645921 1126128845 /nfs/dbraw/zinc/12/88/45/1126128845.db2.gz IFMQPLQNLGRMNB-SFHVURJKSA-N -1 0 330.453 3.890 20 0 EHADRM COc1ccc(F)cc1NC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000622476800 1126705340 /nfs/dbraw/zinc/70/53/40/1126705340.db2.gz AXVZKIQPJXICTF-UHFFFAOYSA-N -1 0 329.249 3.811 20 0 EHADRM C[C@@H](Cc1c[nH]cn1)C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000622481202 1126706061 /nfs/dbraw/zinc/70/60/61/1126706061.db2.gz KAOKNTZJWJJRLX-LURJTMIESA-N -1 0 348.617 3.893 20 0 EHADRM Cc1cnc([C@@H](C)CNC(=O)c2cccc(C(F)(F)F)c2[O-])s1 ZINC000622510995 1126713098 /nfs/dbraw/zinc/71/30/98/1126713098.db2.gz SUYQTJQNMUTCBW-QMMMGPOBSA-N -1 0 344.358 3.709 20 0 EHADRM COC[C@@](C)([N-]C(=O)C(F)(F)c1cccc(Cl)c1)C(F)(F)F ZINC000072534752 1126750188 /nfs/dbraw/zinc/75/01/88/1126750188.db2.gz RICUXAMWKSEVOI-LLVKDONJSA-N -1 0 345.695 3.515 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1Cl ZINC000336849700 1126811861 /nfs/dbraw/zinc/81/18/61/1126811861.db2.gz SVILMWIPTMSANQ-ICCXJUOJSA-N -1 0 342.222 3.851 20 0 EHADRM Cc1c(Cl)c(CN2CCC[C@H](C)[C@@H]2C(=O)[O-])nc2ccccc12 ZINC000336874343 1126813820 /nfs/dbraw/zinc/81/38/20/1126813820.db2.gz YRGJUKLUTIYBQR-APPDUMDISA-N -1 0 332.831 3.882 20 0 EHADRM CC[C@H](CC(F)F)C(=O)N=c1ccc(-c2ccc(Cl)s2)n[n-]1 ZINC000622929321 1126835171 /nfs/dbraw/zinc/83/51/71/1126835171.db2.gz MDLDTGBHCUBXPI-MRVPVSSYSA-N -1 0 345.802 3.900 20 0 EHADRM CSCCCC(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000174922864 1126863423 /nfs/dbraw/zinc/86/34/23/1126863423.db2.gz AXPQFQBYZBERQZ-UHFFFAOYSA-N -1 0 338.654 3.890 20 0 EHADRM CN(Cc1ccc(Cl)nc1)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000072865766 1126908673 /nfs/dbraw/zinc/90/86/73/1126908673.db2.gz BUGVDPIXOVGOHJ-UHFFFAOYSA-N -1 0 333.800 3.811 20 0 EHADRM Cc1cc(NC(=O)c2ccc3[n-]c(=S)oc3c2)c(C)c(C)c1O ZINC000185696548 1126987878 /nfs/dbraw/zinc/98/78/78/1126987878.db2.gz HGELZDYAWRMKKK-UHFFFAOYSA-N -1 0 328.393 4.000 20 0 EHADRM Cc1cc(F)cc2c(O)c(C(=O)Nc3cccc(Cl)c3[O-])cnc12 ZINC000178357938 1127015470 /nfs/dbraw/zinc/01/54/70/1127015470.db2.gz BDKSCACHKHFTDC-UHFFFAOYSA-N -1 0 346.745 3.587 20 0 EHADRM COc1c(F)cc([N-]S(=O)(=O)c2cccc(C)c2Cl)cc1F ZINC000179978459 1127106535 /nfs/dbraw/zinc/10/65/35/1127106535.db2.gz WMCDLILHCVNIOG-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM CCOC(=O)c1cc(NC(=O)c2sccc2-c2ccccc2)[nH]n1 ZINC000180936744 1127192449 /nfs/dbraw/zinc/19/24/49/1127192449.db2.gz LJAZEQCRAKQYDD-UHFFFAOYSA-N -1 0 341.392 3.567 20 0 EHADRM CCCc1cnc([N-]S(=O)(=O)c2cc(F)ccc2Cl)s1 ZINC000183197938 1127367026 /nfs/dbraw/zinc/36/70/26/1127367026.db2.gz RBDIATNDHREKLO-UHFFFAOYSA-N -1 0 334.825 3.689 20 0 EHADRM CO[C@@H](CNC(=O)c1c(O)cccc1Cl)c1ccccc1Cl ZINC000764341839 1127482805 /nfs/dbraw/zinc/48/28/05/1127482805.db2.gz LNYPKSYMERTEKY-AWEZNQCLSA-N -1 0 340.206 3.817 20 0 EHADRM O=C(NCc1csc(-c2ccco2)n1)c1c(O)cccc1Cl ZINC000764341299 1127482836 /nfs/dbraw/zinc/48/28/36/1127482836.db2.gz FVLQCDKHDUOHBQ-UHFFFAOYSA-N -1 0 334.784 3.692 20 0 EHADRM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NCCCCCC(=O)[O-] ZINC000385304363 1127600506 /nfs/dbraw/zinc/60/05/06/1127600506.db2.gz PVRIYSOUAPQQSC-HNNXBMFYSA-N -1 0 332.444 3.642 20 0 EHADRM COc1ccc2nc(/C=C\c3ccc(OCC(=O)[O-])cc3)sc2c1 ZINC000213686701 1127678054 /nfs/dbraw/zinc/67/80/54/1127678054.db2.gz DJPQMPSZOPMOGG-WTKPLQERSA-N -1 0 341.388 3.939 20 0 EHADRM CCSc1nnc([N-]C(=O)c2cc(-c3ccccc3)no2)s1 ZINC000033148079 1127863484 /nfs/dbraw/zinc/86/34/84/1127863484.db2.gz CBLHMRCUQYIQIF-UHFFFAOYSA-N -1 0 332.410 3.557 20 0 EHADRM Cc1noc(C)c1CSCC(=O)Nc1cccc(Cl)c1[O-] ZINC000172356956 1127910852 /nfs/dbraw/zinc/91/08/52/1127910852.db2.gz NBPUZWNLUKMZEV-UHFFFAOYSA-N -1 0 326.805 3.522 20 0 EHADRM Cc1sc(C(=O)N[C@H](CC2CC2)C(=O)[O-])cc1-c1ccc(F)cc1 ZINC000347522133 1128037081 /nfs/dbraw/zinc/03/70/81/1128037081.db2.gz PXXAGVJXUDIUPZ-OAHLLOKOSA-N -1 0 347.411 3.846 20 0 EHADRM CC(C)COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000068076032 1128258196 /nfs/dbraw/zinc/25/81/96/1128258196.db2.gz PAHHDPKPURGTIV-UHFFFAOYSA-N -1 0 347.436 3.552 20 0 EHADRM CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000068075993 1128258387 /nfs/dbraw/zinc/25/83/87/1128258387.db2.gz AQMMVITZURVUCQ-UHFFFAOYSA-N -1 0 347.436 3.615 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCOC[C@@H]1c1ccccc1 ZINC000074191800 1128336594 /nfs/dbraw/zinc/33/65/94/1128336594.db2.gz JYJFTYVQAYQALY-OAHLLOKOSA-N -1 0 340.404 3.704 20 0 EHADRM Fc1ccc([C@@H](N=c2nc(C3CCCC3)[n-]s2)c2ncc[nH]2)cc1 ZINC000624537567 1128389596 /nfs/dbraw/zinc/38/95/96/1128389596.db2.gz ICFOGOZTFDEKOF-CQSZACIVSA-N -1 0 343.431 3.681 20 0 EHADRM N#C/C(=C/c1ccc([O-])c([N+](=O)[O-])c1)C(=O)c1ccc(Cl)cc1F ZINC000090988202 1128429790 /nfs/dbraw/zinc/42/97/90/1128429790.db2.gz YEBPVSKHAUUKMQ-YHYXMXQVSA-N -1 0 346.701 3.883 20 0 EHADRM CC[C@H](NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccc(C)cc1 ZINC000655858916 1128509268 /nfs/dbraw/zinc/50/92/68/1128509268.db2.gz BJVNVHKZVWZJCJ-LLLHUVSDSA-N -1 0 346.471 3.881 20 0 EHADRM CC(C)CN(CC(C)(C)C)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655902853 1128528775 /nfs/dbraw/zinc/52/87/75/1128528775.db2.gz VJDUTYQJUGJNGU-QLFBSQMISA-N -1 0 340.508 3.836 20 0 EHADRM O=C(N=c1nc(-c2ccccc2Cl)[n-]s1)NC(C1CC1)C1CC1 ZINC000542721236 1128560826 /nfs/dbraw/zinc/56/08/26/1128560826.db2.gz ACCZXZUPHISHFN-UHFFFAOYSA-N -1 0 348.859 3.591 20 0 EHADRM CCCN(C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1)C1CC1 ZINC000542730949 1128565390 /nfs/dbraw/zinc/56/53/90/1128565390.db2.gz YOQCTOCIEGDYBJ-UHFFFAOYSA-N -1 0 336.848 3.687 20 0 EHADRM CC(C)Cc1nc(=N[C@H]2CCCc3cn(C4CCCC4)nc32)s[n-]1 ZINC000499406204 1128585222 /nfs/dbraw/zinc/58/52/22/1128585222.db2.gz IGEXGYIVTOWJLG-HNNXBMFYSA-N -1 0 345.516 3.960 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc(-n2cccn2)nc1 ZINC000765860395 1128624126 /nfs/dbraw/zinc/62/41/26/1128624126.db2.gz QLBXUROBPQQPTI-UHFFFAOYSA-N -1 0 349.177 3.532 20 0 EHADRM Cc1cccc(O)c1C(=O)N1CCC[C@@H]1c1nc2ccccc2n1C ZINC000624755032 1128643055 /nfs/dbraw/zinc/64/30/55/1128643055.db2.gz ZBNXWUOOVLFREV-MRXNPFEDSA-N -1 0 335.407 3.565 20 0 EHADRM CCc1sc(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)cc1C ZINC000057754110 1128664260 /nfs/dbraw/zinc/66/42/60/1128664260.db2.gz POANLLCAPPSLFL-UHFFFAOYSA-N -1 0 329.381 3.627 20 0 EHADRM CC[C@H](NC(=O)Nc1cc(Cl)c(Cl)c(Cl)c1)C(=O)[O-] ZINC000404213912 1128680549 /nfs/dbraw/zinc/68/05/49/1128680549.db2.gz ASALPHMKGABUTD-QMMMGPOBSA-N -1 0 325.579 3.632 20 0 EHADRM Clc1ccc2c(c1)[C@H](N=c1[n-]nc(C3CCOCC3)s1)CCC2 ZINC000624767997 1128706654 /nfs/dbraw/zinc/70/66/54/1128706654.db2.gz NUAKRIMEMGHUMO-OAHLLOKOSA-N -1 0 349.887 3.997 20 0 EHADRM O=C(CCCC1CCCCC1)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000110636834 1128797070 /nfs/dbraw/zinc/79/70/70/1128797070.db2.gz SKYBPMTUXYMDHE-UHFFFAOYSA-N -1 0 329.400 3.719 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)nn2C)s1 ZINC000129001574 1128800459 /nfs/dbraw/zinc/80/04/59/1128800459.db2.gz FQYGDRXHWWCLKW-UHFFFAOYSA-N -1 0 339.486 3.639 20 0 EHADRM CCCCCC[C@H](C)C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000172721034 1128854795 /nfs/dbraw/zinc/85/47/95/1128854795.db2.gz PZYYZSWCZDYDGI-LBPRGKRZSA-N -1 0 335.473 3.550 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c1 ZINC000499492671 1128862696 /nfs/dbraw/zinc/86/26/96/1128862696.db2.gz OAZKEFOWBXXYQQ-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000007428433 1128866344 /nfs/dbraw/zinc/86/63/44/1128866344.db2.gz XCERUJMTJNJBFX-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2cccnc2)C1 ZINC000007587348 1128873496 /nfs/dbraw/zinc/87/34/96/1128873496.db2.gz KXJDONVMJDQPNH-XNTDXEJSSA-N -1 0 345.402 3.704 20 0 EHADRM O=C(c1c([O-])cc(F)cc1F)N1CCC[C@H]1c1ccc(F)cc1F ZINC001648845487 1120053125 /nfs/dbraw/zinc/05/31/25/1120053125.db2.gz OYMXSFTUEBXBDT-AWEZNQCLSA-N -1 0 339.288 3.926 20 0 EHADRM CC(C)c1cnc(SCc2nc(=O)c3sccc3[n-]2)n1C1CC1 ZINC000129055791 1120140615 /nfs/dbraw/zinc/14/06/15/1120140615.db2.gz FNUNPMQCMNKDFD-UHFFFAOYSA-N -1 0 346.481 3.932 20 0 EHADRM Cc1ncc(NC(=O)c2ccc(Cl)cc2[O-])cc1Br ZINC001648945042 1120243001 /nfs/dbraw/zinc/24/30/01/1120243001.db2.gz RGXVHJSACUZPRG-UHFFFAOYSA-N -1 0 341.592 3.764 20 0 EHADRM O=C(NCc1csc(C(F)(F)F)c1)c1c([O-])cc(F)cc1F ZINC001648958816 1120279857 /nfs/dbraw/zinc/27/98/57/1120279857.db2.gz LTVINKSQFLERRZ-UHFFFAOYSA-N -1 0 337.269 3.681 20 0 EHADRM CC[C@](CNC(=O)c1c(C)cc(C)cc1C)(C(=O)[O-])c1ccccc1 ZINC000263006747 1120312957 /nfs/dbraw/zinc/31/29/57/1120312957.db2.gz NGLDDMXQBMXWAM-OAQYLSRUSA-N -1 0 339.435 3.774 20 0 EHADRM CC[C@@H](NCc1c(Cl)oc2ccccc21)c1nc(C(=O)[O-])c[nH]1 ZINC000904065499 1120351069 /nfs/dbraw/zinc/35/10/69/1120351069.db2.gz SIMRUTIYIUQVFU-LLVKDONJSA-N -1 0 333.775 3.748 20 0 EHADRM COc1cc(C)c([N-]S(=O)(=O)c2ccccc2Cl)cc1F ZINC000187067347 1120485343 /nfs/dbraw/zinc/48/53/43/1120485343.db2.gz YJCPAMARISTEIV-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM COc1cc(C)c([N-]S(=O)(=O)c2cc(C)ccc2Cl)cc1F ZINC000187070276 1120485545 /nfs/dbraw/zinc/48/55/45/1120485545.db2.gz FHQHRSNCIJPRPH-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1n[nH]c(-c2ccc(C)o2)c1C ZINC000187580893 1120504616 /nfs/dbraw/zinc/50/46/16/1120504616.db2.gz LKKYZOLSCRJVFU-UHFFFAOYSA-N -1 0 345.424 3.650 20 0 EHADRM CC[C@@H](C)[C@@H](C)N(C(=O)c1nn(-c2ccccc2)cc1[O-])C1CC1 ZINC000162977552 1120557264 /nfs/dbraw/zinc/55/72/64/1120557264.db2.gz RSGAILZIZASSJQ-ZIAGYGMSSA-N -1 0 327.428 3.617 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc3c(cc2C)OCO3)sc1Cl ZINC000190337750 1120633889 /nfs/dbraw/zinc/63/38/89/1120633889.db2.gz NXWIYDKVILENDD-UHFFFAOYSA-N -1 0 345.829 3.548 20 0 EHADRM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc3ccn(C)c32)c1 ZINC000190848618 1120651391 /nfs/dbraw/zinc/65/13/91/1120651391.db2.gz XZFMYBKPRFFOOJ-UHFFFAOYSA-N -1 0 342.420 3.572 20 0 EHADRM O=C([O-])c1cc(/C=C/c2cocn2)nc2ccc(Br)cc21 ZINC000191290148 1120667335 /nfs/dbraw/zinc/66/73/35/1120667335.db2.gz JFWNIADWAFSHLR-NSCUHMNNSA-N -1 0 345.152 3.854 20 0 EHADRM COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2cccc(Cl)c2[O-])c1 ZINC000191940509 1120703259 /nfs/dbraw/zinc/70/32/59/1120703259.db2.gz USTCLWADBFBAMH-YPMHNXCESA-N -1 0 347.798 3.805 20 0 EHADRM [O-]c1c(Cl)cccc1-c1nc(-c2ccc3c(c2)OCCO3)no1 ZINC000761659176 1120736138 /nfs/dbraw/zinc/73/61/38/1120736138.db2.gz PWPUNHFCFFDAMK-UHFFFAOYSA-N -1 0 330.727 3.534 20 0 EHADRM CC[C@H](C)Oc1cc(C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)ccn1 ZINC000761671343 1120780119 /nfs/dbraw/zinc/78/01/19/1120780119.db2.gz RDXOHNAZYDIRGR-XURPKSDJSA-N -1 0 340.379 3.609 20 0 EHADRM CC[C@H](C)Oc1cc(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)ccn1 ZINC000761671341 1120780302 /nfs/dbraw/zinc/78/03/02/1120780302.db2.gz RDXOHNAZYDIRGR-PPGNKHEKSA-N -1 0 340.379 3.609 20 0 EHADRM O=S(=O)([N-]c1ccc2ncsc2c1)c1c(F)cc(F)cc1F ZINC000193705779 1120793381 /nfs/dbraw/zinc/79/33/81/1120793381.db2.gz CQBUCJGPCVOYJZ-UHFFFAOYSA-N -1 0 344.339 3.514 20 0 EHADRM C/C(=C/c1ccccc1Cl)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000761743989 1120867368 /nfs/dbraw/zinc/86/73/68/1120867368.db2.gz VWANJTNXKGBDGK-DVFVSVACSA-N -1 0 343.810 3.728 20 0 EHADRM Cc1cc(-c2noc(-c3cccc(Cl)c3[O-])n2)cc2[nH]cnc21 ZINC000762181111 1121158122 /nfs/dbraw/zinc/15/81/22/1121158122.db2.gz XEHZMASNQMGFCM-UHFFFAOYSA-N -1 0 326.743 3.947 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)c1Cl ZINC000672430994 1128975321 /nfs/dbraw/zinc/97/53/21/1128975321.db2.gz OZQMNOWPPLEQKB-SECBINFHSA-N -1 0 344.210 3.768 20 0 EHADRM O=C(N[C@@H]1CC2(CCC2)Oc2ccccc21)c1cc(F)c([O-])c(F)c1 ZINC000762624229 1121381000 /nfs/dbraw/zinc/38/10/00/1121381000.db2.gz WBRNQDRNMFSBJX-OAHLLOKOSA-N -1 0 345.345 3.847 20 0 EHADRM CC(C)Oc1cc(O)ccc1NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000762697529 1121418751 /nfs/dbraw/zinc/41/87/51/1121418751.db2.gz XOCCFBURSAGAFR-UHFFFAOYSA-N -1 0 344.392 3.862 20 0 EHADRM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1c([O-])cc(F)cc1F ZINC000077108666 1128989622 /nfs/dbraw/zinc/98/96/22/1128989622.db2.gz TWLXXUWHELHVLG-JQWIXIFHSA-N -1 0 335.325 3.828 20 0 EHADRM CC(C)C[C@@H](NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000236577203 1121457648 /nfs/dbraw/zinc/45/76/48/1121457648.db2.gz LDRFCHMOIUOTFZ-UHIISALHSA-N -1 0 344.238 3.712 20 0 EHADRM CC(C)C[C@@H](NC(=O)C(C)(C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000236758810 1121461993 /nfs/dbraw/zinc/46/19/93/1121461993.db2.gz DQVQALYWCMQJRI-CYBMUJFWSA-N -1 0 345.361 3.599 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000237038171 1121471501 /nfs/dbraw/zinc/47/15/01/1121471501.db2.gz HHUHCTLCJFRESF-NWDGAFQWSA-N -1 0 345.361 3.911 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2ccccc2CC(=O)[O-])o1 ZINC000237359570 1121480387 /nfs/dbraw/zinc/48/03/87/1121480387.db2.gz XVBYPBRTIFCGRU-VJFPMYOSSA-N -1 0 325.364 3.682 20 0 EHADRM Cc1cccc([C@@H](C)C(=O)Nc2ccccc2-n2ccc(C(=O)[O-])n2)c1 ZINC000237495887 1121486068 /nfs/dbraw/zinc/48/60/68/1121486068.db2.gz IBKHLXAFYCOFBQ-CQSZACIVSA-N -1 0 349.390 3.621 20 0 EHADRM Cc1nc(-c2c[nH]c(C(=O)NCCCCCCCC(=O)[O-])c2)cs1 ZINC000237675637 1121491842 /nfs/dbraw/zinc/49/18/42/1121491842.db2.gz UGUBGDUIPKRGQB-UHFFFAOYSA-N -1 0 349.456 3.602 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCCc1ccc(Cl)cc1 ZINC000237966625 1121499455 /nfs/dbraw/zinc/49/94/55/1121499455.db2.gz HHDAMURPGXTJAK-XIRDDKMYSA-N -1 0 349.858 3.907 20 0 EHADRM COc1ccc(-c2c(C)c3cc4c(cc3nc2C(=O)[O-])OCO4)cc1 ZINC000053999163 1121732396 /nfs/dbraw/zinc/73/23/96/1121732396.db2.gz BMERNMDRXNGIMW-UHFFFAOYSA-N -1 0 337.331 3.646 20 0 EHADRM CC(C)(CCC(=O)[O-])Nc1cc(Br)c(C#N)cc1F ZINC000311397092 1129006140 /nfs/dbraw/zinc/00/61/40/1129006140.db2.gz GADNIEOFZQGBIS-UHFFFAOYSA-N -1 0 329.169 3.515 20 0 EHADRM Cc1[nH]c2c(cccc2C(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1C ZINC000326483256 1121953766 /nfs/dbraw/zinc/95/37/66/1121953766.db2.gz DJOVATFXYQDPBV-UHFFFAOYSA-N -1 0 326.327 3.874 20 0 EHADRM Cc1cc(S(=O)(=O)N(CC(C)C)c2ccccc2)ccc1C(=O)[O-] ZINC000326606639 1121970045 /nfs/dbraw/zinc/97/00/45/1121970045.db2.gz IBQYWICTTUWESA-UHFFFAOYSA-N -1 0 347.436 3.545 20 0 EHADRM CN(Cc1ccccc1C(F)(F)F)C(=O)c1ccc(F)cc1[O-] ZINC000123341012 1122090841 /nfs/dbraw/zinc/09/08/41/1122090841.db2.gz YFANCPQREMNEPZ-UHFFFAOYSA-N -1 0 327.277 3.822 20 0 EHADRM Cc1cc(-c2nnc(COC(=O)c3ccc([O-])c(Cl)c3)o2)c(C)o1 ZINC000916506465 1122175240 /nfs/dbraw/zinc/17/52/40/1122175240.db2.gz QTOAGXMEESABND-UHFFFAOYSA-N -1 0 348.742 3.662 20 0 EHADRM O=C(NOCc1ccc(C(F)(F)F)cc1)c1ccc([O-])c(Cl)c1 ZINC000154104104 1122237752 /nfs/dbraw/zinc/23/77/52/1122237752.db2.gz VOPYUOOSNFLHAX-UHFFFAOYSA-N -1 0 345.704 3.926 20 0 EHADRM CCN(C(=O)c1c([O-])cccc1F)[C@@H](C)Cc1ccc(OC)cc1 ZINC000123809178 1122266068 /nfs/dbraw/zinc/26/60/68/1122266068.db2.gz YSBBEILBPQEBGJ-ZDUSSCGKSA-N -1 0 331.387 3.633 20 0 EHADRM CCN(C(=O)c1ccc(OC)cc1O)[C@H](C)c1cccc(OC)c1 ZINC000124656551 1122291310 /nfs/dbraw/zinc/29/13/10/1122291310.db2.gz TYUATRRDEZRJCO-CYBMUJFWSA-N -1 0 329.396 3.633 20 0 EHADRM CCN(C(=O)c1ccc(OC)cc1O)[C@@H](C)c1cccc(OC)c1 ZINC000124656316 1122291367 /nfs/dbraw/zinc/29/13/67/1122291367.db2.gz TYUATRRDEZRJCO-ZDUSSCGKSA-N -1 0 329.396 3.633 20 0 EHADRM O=C(CCCC1CCCCC1)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000916816016 1122359603 /nfs/dbraw/zinc/35/96/03/1122359603.db2.gz LKUWPOKCGOSRNX-UHFFFAOYSA-N -1 0 345.411 3.520 20 0 EHADRM CC(C)Cc1nc(=Nc2cnn(CC(C)C)c2C(F)F)s[n-]1 ZINC000497748875 1122655138 /nfs/dbraw/zinc/65/51/38/1122655138.db2.gz LBYUOZWCHZCCJR-UHFFFAOYSA-N -1 0 329.420 3.692 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(COc3ccccc3)c2)nc1 ZINC000917854360 1122697173 /nfs/dbraw/zinc/69/71/73/1122697173.db2.gz HEGZJLHARJTTKB-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)Cc1cccc2ccccc21 ZINC000013428924 1129073261 /nfs/dbraw/zinc/07/32/61/1129073261.db2.gz BQLSMNGYOZXDFZ-UHFFFAOYSA-N -1 0 347.414 3.886 20 0 EHADRM CCOc1cccc([N-]S(=O)(=O)c2cc(C)ccc2Cl)c1 ZINC000498034397 1122738248 /nfs/dbraw/zinc/73/82/48/1122738248.db2.gz SORLPSMTUYFUIW-UHFFFAOYSA-N -1 0 325.817 3.848 20 0 EHADRM O=C(N=c1nc(-c2ccccc2)[n-]s1)c1ccc(Cl)c(F)c1 ZINC000498185387 1122789411 /nfs/dbraw/zinc/78/94/11/1122789411.db2.gz JRUISVSKBKJXCX-UHFFFAOYSA-N -1 0 333.775 3.672 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NC2(c3ccccc3)CCCCC2)C1 ZINC000498628573 1122997985 /nfs/dbraw/zinc/99/79/85/1122997985.db2.gz WFDXEKPRUNDDKG-HZPDHXFCSA-N -1 0 329.440 3.853 20 0 EHADRM CCOc1ccc(C2=CCN(C(=O)c3c([O-])cccc3F)CC2)cc1 ZINC000131168070 1123054913 /nfs/dbraw/zinc/05/49/13/1123054913.db2.gz JATHEGIKJYMCOL-UHFFFAOYSA-N -1 0 341.382 3.860 20 0 EHADRM COc1cc(-c2nc(-c3cc4ccccc4o3)no2)cc(OC)c1O ZINC000132024009 1123196318 /nfs/dbraw/zinc/19/63/18/1123196318.db2.gz DEACXXDYEQQVNA-UHFFFAOYSA-N -1 0 338.319 3.873 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)N[C@@H](C)c3cccc(C)c3C)cc2=O)cc1 ZINC000073732955 1123218494 /nfs/dbraw/zinc/21/84/94/1123218494.db2.gz IHOSKCGKBYUZLL-INIZCTEOSA-N -1 0 349.434 3.582 20 0 EHADRM CC[C@@H](NC(=O)c1cc(F)cc(Cl)c1[O-])c1nc(C)cs1 ZINC000133126489 1123348253 /nfs/dbraw/zinc/34/82/53/1123348253.db2.gz LYWITQBPODJYLE-LLVKDONJSA-N -1 0 328.796 3.831 20 0 EHADRM O=c1nc(-c2cc(F)cc(Br)c2)[n-]c2ccsc21 ZINC000075078727 1123361050 /nfs/dbraw/zinc/36/10/50/1123361050.db2.gz APEJWUZKMVLHCG-UHFFFAOYSA-N -1 0 325.162 3.553 20 0 EHADRM O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1c([O-])cccc1Cl ZINC000920454824 1123371066 /nfs/dbraw/zinc/37/10/66/1123371066.db2.gz ZKGLPONCTLPICW-CQSZACIVSA-N -1 0 347.798 3.856 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000263077326 1123397717 /nfs/dbraw/zinc/39/77/17/1123397717.db2.gz UOZOYBQDXYJZJB-CABCVRRESA-N -1 0 347.480 3.928 20 0 EHADRM O=C(Nc1ccccc1NCC(F)(F)F)c1c([O-])cccc1F ZINC000133912993 1123463268 /nfs/dbraw/zinc/46/32/68/1123463268.db2.gz IRMKWVCCGTZGSO-UHFFFAOYSA-N -1 0 328.265 3.758 20 0 EHADRM CC1=NN(c2ccc(C(=O)Nc3ccc(C)cc3C(=O)[O-])cc2)CC1 ZINC000236778395 1123465834 /nfs/dbraw/zinc/46/58/34/1123465834.db2.gz KAUUCEYKEZUODO-UHFFFAOYSA-N -1 0 337.379 3.532 20 0 EHADRM C[C@H](NC(=O)c1c([O-])cc(F)cc1F)c1ccc(OC(F)F)cc1 ZINC000066044154 1129125582 /nfs/dbraw/zinc/12/55/82/1129125582.db2.gz NKJAMFLNFFWNCW-QMMMGPOBSA-N -1 0 343.276 3.763 20 0 EHADRM Cc1cc(C(=O)N2CCCC[C@H]2C2CCC2)cc(C)c1OCC(=O)[O-] ZINC000649265759 1123514395 /nfs/dbraw/zinc/51/43/95/1123514395.db2.gz PEIKPWNZUSETHG-KRWDZBQOSA-N -1 0 345.439 3.562 20 0 EHADRM O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc([O-])c(Cl)c1 ZINC000077283993 1123544515 /nfs/dbraw/zinc/54/45/15/1123544515.db2.gz CFEVARJZHDZWHP-HNNXBMFYSA-N -1 0 347.798 3.856 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1C ZINC000134768548 1123552425 /nfs/dbraw/zinc/55/24/25/1123552425.db2.gz WMVAXHGHNZTKLM-UHFFFAOYSA-N -1 0 341.791 3.791 20 0 EHADRM O=S(=O)([N-]c1cccc(N2CCCCCC2)c1)c1cccs1 ZINC000077966443 1123591044 /nfs/dbraw/zinc/59/10/44/1123591044.db2.gz FAYKMVZALUSXLJ-UHFFFAOYSA-N -1 0 336.482 3.929 20 0 EHADRM O=S(=O)([N-]c1cccc(Cl)c1O)c1ccc(F)cc1Cl ZINC000078002312 1123592530 /nfs/dbraw/zinc/59/25/30/1123592530.db2.gz WZTTWEGMYDTCEH-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM Cc1ccccc1SCC(=O)N[C@@H](CC(=O)[O-])c1ccccc1C ZINC000237575254 1123778993 /nfs/dbraw/zinc/77/89/93/1123778993.db2.gz FMNHROKBGUOFRM-INIZCTEOSA-N -1 0 343.448 3.728 20 0 EHADRM C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000237691100 1123814655 /nfs/dbraw/zinc/81/46/55/1123814655.db2.gz DZAPZWAAMKIPRW-OBIHZWKSSA-N -1 0 345.782 3.844 20 0 EHADRM CN(C(=O)N=c1[n-]nc(C(C)(C)C)s1)[C@@H]1CCCc2ccccc21 ZINC000615567153 1123826493 /nfs/dbraw/zinc/82/64/93/1123826493.db2.gz CQWVDJBBNSIQCR-CQSZACIVSA-N -1 0 344.484 3.799 20 0 EHADRM Cc1cc2scc(CC(=O)NC(C)(C)CCC(=O)[O-])c2s1 ZINC000901445299 1123900659 /nfs/dbraw/zinc/90/06/59/1123900659.db2.gz OFUQZGDLYQOZPJ-UHFFFAOYSA-N -1 0 325.455 3.573 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2ccc(SC(F)F)cc2)C1 ZINC000238005426 1123947603 /nfs/dbraw/zinc/94/76/03/1123947603.db2.gz IURLQWDKEAXYBK-LLVKDONJSA-N -1 0 343.395 3.718 20 0 EHADRM C[C@H](CCC(=O)NC[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000263534058 1124014205 /nfs/dbraw/zinc/01/42/05/1124014205.db2.gz NTDLSFJTENHTBW-QAPCUYQASA-N -1 0 325.408 3.555 20 0 EHADRM CCCCc1nnc(NC(=O)c2cc(Cl)cc(Cl)n2)s1 ZINC000181096876 1124523937 /nfs/dbraw/zinc/52/39/37/1124523937.db2.gz JGSZALPHLCNEBC-UHFFFAOYSA-N -1 0 331.228 3.835 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)n2)cc1 ZINC000734975889 1131301563 /nfs/dbraw/zinc/30/15/63/1131301563.db2.gz RORZKNFSFFZYTN-UHFFFAOYSA-N -1 0 344.358 3.854 20 0 EHADRM CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000181800994 1125043169 /nfs/dbraw/zinc/04/31/69/1125043169.db2.gz MVHYNAGSEZIIRT-UHFFFAOYSA-N -1 0 345.395 3.757 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2C(C)=O)cc1 ZINC000181803711 1125046248 /nfs/dbraw/zinc/04/62/48/1125046248.db2.gz QICLLQRRIKKLFU-UHFFFAOYSA-N -1 0 339.413 3.551 20 0 EHADRM CC(C)[C@@H]1CCc2[n-]n(-c3ccc(Br)cn3)c(=O)c2C1 ZINC000634593683 1125133436 /nfs/dbraw/zinc/13/34/36/1125133436.db2.gz XHFACEPSTMFQRV-ZYHUDNBSSA-N -1 0 336.233 3.619 20 0 EHADRM CCCC[C@@H](CC)CC(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000735397945 1131339343 /nfs/dbraw/zinc/33/93/43/1131339343.db2.gz ZHMPRUJTHJSDLP-SNVBAGLBSA-N -1 0 337.894 3.813 20 0 EHADRM CCCC[C@H](CC)CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000735395808 1131339401 /nfs/dbraw/zinc/33/94/01/1131339401.db2.gz DWLPTAYGMNAYCD-HNNXBMFYSA-N -1 0 325.474 3.715 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC([C@H]2CCCCO2)CC1 ZINC000619165994 1125298850 /nfs/dbraw/zinc/29/88/50/1125298850.db2.gz XQLSJJULDYPXSI-OAHLLOKOSA-N -1 0 341.810 3.606 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000619195002 1125311455 /nfs/dbraw/zinc/31/14/55/1125311455.db2.gz LDAJFTSZYYSXHP-IAQYHMDHSA-N -1 0 341.810 3.606 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N2CC(C)(C)[C@H]2c2ccccc2)s1 ZINC000619274343 1125329099 /nfs/dbraw/zinc/32/90/99/1125329099.db2.gz IPJODQDHYKXLKY-OAHLLOKOSA-N -1 0 344.484 3.774 20 0 EHADRM N#CC(=C([O-])c1cccc(Cl)n1)c1nc(-c2ccncc2)cs1 ZINC000182941066 1125402390 /nfs/dbraw/zinc/40/23/90/1125402390.db2.gz GEWWWZAYUZEATN-LLVKDONJSA-N -1 0 340.795 3.744 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(C)c2)c(C)o1 ZINC000183118045 1125447150 /nfs/dbraw/zinc/44/71/50/1125447150.db2.gz XBBXDKWFLCEPLT-UHFFFAOYSA-N -1 0 334.441 3.606 20 0 EHADRM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000314576747 1129267371 /nfs/dbraw/zinc/26/73/71/1129267371.db2.gz YNLRZMFJNDCSBW-VXGBXAGGSA-N -1 0 342.222 3.619 20 0 EHADRM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000478843165 1129278300 /nfs/dbraw/zinc/27/83/00/1129278300.db2.gz UINNYGNEAKHOFH-ZDUSSCGKSA-N -1 0 341.382 3.965 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)/C=C/C2CCCCC2)c1C ZINC000735596442 1131364312 /nfs/dbraw/zinc/36/43/12/1131364312.db2.gz MVQTXERYOAMRIK-ZHACJKMWSA-N -1 0 349.496 3.862 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000068256631 1129355884 /nfs/dbraw/zinc/35/58/84/1129355884.db2.gz DRWCWQMBQBZKKN-QWRGUYRKSA-N -1 0 325.817 3.667 20 0 EHADRM Cc1ccc([C@@H]2CCN(C(=O)N=c3[n-]nc(C(C)(C)C)s3)C2)cc1 ZINC000543294834 1129394670 /nfs/dbraw/zinc/39/46/70/1129394670.db2.gz VPUMAOAUPNOMAN-CQSZACIVSA-N -1 0 344.484 3.587 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000358613726 1129405730 /nfs/dbraw/zinc/40/57/30/1129405730.db2.gz XGSUNKOKFSZCHK-QGZVFWFLSA-N -1 0 327.355 3.810 20 0 EHADRM CCCCOc1ccc(CN=c2[n-]c(C3CC3)no2)cc1OCC ZINC000347739458 1129674650 /nfs/dbraw/zinc/67/46/50/1129674650.db2.gz FQWVQSBCBZIGGI-UHFFFAOYSA-N -1 0 331.416 3.559 20 0 EHADRM CSc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)c1 ZINC000509074780 1129722306 /nfs/dbraw/zinc/72/23/06/1129722306.db2.gz LUOYEEFAENBLOI-UHFFFAOYSA-N -1 0 329.830 3.568 20 0 EHADRM CSc1cccc(S(=O)(=O)[N-]c2ccccc2OC(F)F)c1 ZINC000509102387 1129748812 /nfs/dbraw/zinc/74/88/12/1129748812.db2.gz HNPCPIRGHHLALH-UHFFFAOYSA-N -1 0 345.392 3.811 20 0 EHADRM CCCOc1ccc(CN=c2[n-]nc(CC(C)C)s2)cc1OC ZINC000347814341 1129865830 /nfs/dbraw/zinc/86/58/30/1129865830.db2.gz PFSVGCRAVALYBI-UHFFFAOYSA-N -1 0 335.473 3.568 20 0 EHADRM O=C(CC1CCC(F)(F)CC1)N=c1nc(-c2ccsc2)[n-]s1 ZINC000625422981 1129870122 /nfs/dbraw/zinc/87/01/22/1129870122.db2.gz PSIHLPRNRUBEFX-UHFFFAOYSA-N -1 0 343.424 3.843 20 0 EHADRM Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)c2c([O-])cc(F)cc2F)cc1 ZINC000673917304 1129906484 /nfs/dbraw/zinc/90/64/84/1129906484.db2.gz BSQCZUXTBDERGC-MAUKXSAKSA-N -1 0 347.361 3.629 20 0 EHADRM CCc1cc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)no1 ZINC000673930179 1129907521 /nfs/dbraw/zinc/90/75/21/1129907521.db2.gz SSLAVIRQSHGCLF-UHFFFAOYSA-N -1 0 328.393 3.705 20 0 EHADRM CC(C)(C)c1ccc([C@H]([N-]S(=O)(=O)CC2CC2)C(F)(F)F)cc1 ZINC000673927791 1129909090 /nfs/dbraw/zinc/90/90/90/1129909090.db2.gz OPJULXYQSVESDH-AWEZNQCLSA-N -1 0 349.418 3.917 20 0 EHADRM O=C([O-])c1ccc(Nc2cnc(Br)s2)c(F)c1F ZINC001212511717 1129910419 /nfs/dbraw/zinc/91/04/19/1129910419.db2.gz BBZQZPSZWHLUNA-UHFFFAOYSA-N -1 0 335.129 3.626 20 0 EHADRM Cc1c(Br)nccc1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212512151 1129920223 /nfs/dbraw/zinc/92/02/23/1129920223.db2.gz XTPWGLHXBIQVLH-UHFFFAOYSA-N -1 0 343.127 3.873 20 0 EHADRM CCOC(=O)CCc1ccc(Nc2ccc(C(=O)[O-])c(F)c2F)cc1 ZINC001212516055 1129928320 /nfs/dbraw/zinc/92/83/20/1129928320.db2.gz WZMJKWLGCLGCKL-UHFFFAOYSA-N -1 0 349.333 3.902 20 0 EHADRM Nc1ccc(OC(F)(F)F)cc1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212515252 1129929164 /nfs/dbraw/zinc/92/91/64/1129929164.db2.gz UGSAVGXHQFVXSW-UHFFFAOYSA-N -1 0 348.227 3.887 20 0 EHADRM CCCOc1ccc(CN=c2[n-]nc(CC3CCCC3)o2)cc1OC ZINC000347863067 1129942105 /nfs/dbraw/zinc/94/21/05/1129942105.db2.gz AMPLWOBREZUBRT-UHFFFAOYSA-N -1 0 345.443 3.634 20 0 EHADRM C[C@@H](Cc1n[n-]c(=NCc2ccc3c(c2)ncn3C)o1)CC(C)(C)C ZINC000347866964 1129946677 /nfs/dbraw/zinc/94/66/77/1129946677.db2.gz AHGIXGQNXIIVIE-ZDUSSCGKSA-N -1 0 341.459 3.605 20 0 EHADRM CC(C)[C@H]1CCC[C@@H](NC(=O)N=c2[n-]nc(-c3ccco3)s2)C1 ZINC000509199605 1129959114 /nfs/dbraw/zinc/95/91/14/1129959114.db2.gz YQWNIUXKFAVKOF-NWDGAFQWSA-N -1 0 334.445 3.556 20 0 EHADRM O=S(=O)([N-]c1cc(F)ccc1N1CCCCC1)c1cccs1 ZINC000243111074 1130042862 /nfs/dbraw/zinc/04/28/62/1130042862.db2.gz JEQGISGLRQPCQC-UHFFFAOYSA-N -1 0 340.445 3.678 20 0 EHADRM O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1c([O-])cc(F)cc1F ZINC000674605948 1130144459 /nfs/dbraw/zinc/14/44/59/1130144459.db2.gz GAUWXCACTPNUME-IUCAKERBSA-N -1 0 337.288 3.769 20 0 EHADRM O=S(=O)(Cc1cccc(Cl)c1)Nc1cc(C2CCCC2)n[nH]1 ZINC000675125839 1130262935 /nfs/dbraw/zinc/26/29/35/1130262935.db2.gz HNISYQQKYJXQCJ-UHFFFAOYSA-N -1 0 339.848 3.663 20 0 EHADRM Cc1ccc(-c2cnc([N-]S(=O)(=O)CCCCF)s2)c(C)c1 ZINC000675241981 1130293178 /nfs/dbraw/zinc/29/31/78/1130293178.db2.gz ZVIKXQQAZZUNQH-UHFFFAOYSA-N -1 0 342.461 3.918 20 0 EHADRM CCCn1nc(C)c(CN=c2[n-]nc(C[C@@H](C)CC(C)(C)C)o2)c1C ZINC000347897737 1130300415 /nfs/dbraw/zinc/30/04/15/1130300415.db2.gz OKVNDBDKRINGQK-CYBMUJFWSA-N -1 0 347.507 3.942 20 0 EHADRM CC(C)[C@@H](Sc1ccccc1)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000676214566 1130549210 /nfs/dbraw/zinc/54/92/10/1130549210.db2.gz HIDBWMNIFFSDKL-RHSMWYFYSA-N -1 0 335.469 3.517 20 0 EHADRM O=C(C[C@@H]1CCCc2ccccc21)[N-]S(=O)(=O)CC1CCCCC1 ZINC000731138780 1130771995 /nfs/dbraw/zinc/77/19/95/1130771995.db2.gz FJWFHXCNFLRXOE-KRWDZBQOSA-N -1 0 349.496 3.523 20 0 EHADRM CC(C)[C@H](CNC(=O)c1n[n-]c2ccccc2c1=O)c1ccccc1 ZINC000731869616 1130857077 /nfs/dbraw/zinc/85/70/77/1130857077.db2.gz UCGDXTODSNLYID-INIZCTEOSA-N -1 0 335.407 3.505 20 0 EHADRM CCC/C(C)=C/C(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000732613966 1130942244 /nfs/dbraw/zinc/94/22/44/1130942244.db2.gz UXFGLIUKOCZTQB-CCEZHUSRSA-N -1 0 343.448 3.905 20 0 EHADRM Cc1nonc1C(=O)Nc1nc(-c2ccccc2)c(C(C)C)s1 ZINC000733874635 1131087014 /nfs/dbraw/zinc/08/70/14/1131087014.db2.gz HXDMXAGNRLHJHC-UHFFFAOYSA-N -1 0 328.397 3.877 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@H](CC(C)C)c1ccccc1 ZINC000741108221 1131576593 /nfs/dbraw/zinc/57/65/93/1131576593.db2.gz SXYNPVAKRVHULD-QGZVFWFLSA-N -1 0 345.464 3.630 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)[C@H](CC(C)C)c2ccccc2)c1 ZINC000741108733 1131576645 /nfs/dbraw/zinc/57/66/45/1131576645.db2.gz DQZYNDTUIHMODC-GOSISDBHSA-N -1 0 345.464 3.630 20 0 EHADRM CCC(=CC(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1ccc(C)cc1 ZINC000741554723 1131621734 /nfs/dbraw/zinc/62/17/34/1131621734.db2.gz SZOLGBIIKQKKNB-WYMLVPIESA-N -1 0 349.390 3.770 20 0 EHADRM CS[C@H]1CC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000742327847 1131706109 /nfs/dbraw/zinc/70/61/09/1131706109.db2.gz HNMQNJBMMAXVSE-ZJUUUORDSA-N -1 0 340.297 3.556 20 0 EHADRM Cc1cc(-c2nc(-c3ccc4[n-]c(=S)sc4c3)no2)cn1C ZINC001212678927 1131825434 /nfs/dbraw/zinc/82/54/34/1131825434.db2.gz YYLTWINYMFJKDV-UHFFFAOYSA-N -1 0 328.422 3.949 20 0 EHADRM COc1ccc(-c2nc(-c3ccc4[n-]c(=S)sc4c3)no2)nc1 ZINC001212701552 1131941580 /nfs/dbraw/zinc/94/15/80/1131941580.db2.gz YHAAJHGOICKWRD-UHFFFAOYSA-N -1 0 342.405 3.706 20 0 EHADRM Cc1cc(CO)cc(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)c1 ZINC001212757028 1132147628 /nfs/dbraw/zinc/14/76/28/1132147628.db2.gz UZCGZXPACDWTLN-UHFFFAOYSA-N -1 0 343.404 3.631 20 0 EHADRM O=S(=O)([O-])c1cc(Cl)ccc1Nc1cnc2ccccc2c1 ZINC001174002495 1132199846 /nfs/dbraw/zinc/19/98/46/1132199846.db2.gz NWTJRFADTNXCNJ-UHFFFAOYSA-N -1 0 334.784 3.879 20 0 EHADRM COc1ccc(F)c(Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)c1 ZINC001174208621 1132286329 /nfs/dbraw/zinc/28/63/29/1132286329.db2.gz DRJBAJXHGPRZHB-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc3[nH]c(C4CCC4)nc3c2)c(C)o1 ZINC000183126104 1132332173 /nfs/dbraw/zinc/33/21/73/1132332173.db2.gz DECPHPUSLJWVGT-UHFFFAOYSA-N -1 0 345.424 3.841 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2cnc3[nH]ccc3c2)c2ccccc21 ZINC001174398421 1132332504 /nfs/dbraw/zinc/33/25/04/1132332504.db2.gz FSKTUWPSQUTSFO-UHFFFAOYSA-N -1 0 339.376 3.658 20 0 EHADRM COC(=O)c1c(F)ccc(F)c1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174500477 1132389923 /nfs/dbraw/zinc/38/99/23/1132389923.db2.gz SHAZCBFVQKUMRN-VMPITWQZSA-N -1 0 333.290 3.593 20 0 EHADRM Cn1ccc2ccc(Nc3cc(S(=O)(=O)[O-])ccc3Cl)cc21 ZINC001174517519 1132397564 /nfs/dbraw/zinc/39/75/64/1132397564.db2.gz PJTMOBQPDYHKGP-UHFFFAOYSA-N -1 0 336.800 3.822 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cc(C)nc(Br)c1 ZINC001174673268 1132432689 /nfs/dbraw/zinc/43/26/89/1132432689.db2.gz BBTRDRCMCVUHHT-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cc(O)ccc1Br ZINC001174677619 1132433807 /nfs/dbraw/zinc/43/38/07/1132433807.db2.gz PCLIXRMMYSUXSF-UHFFFAOYSA-N -1 0 338.157 3.605 20 0 EHADRM COc1cc(Nc2nc(F)cc(C(F)(F)F)c2F)ccc1C(=O)[O-] ZINC001174681710 1132434730 /nfs/dbraw/zinc/43/47/30/1132434730.db2.gz XBIWKPYTSOMJJK-UHFFFAOYSA-N -1 0 348.227 3.829 20 0 EHADRM CCN(CC)C(=O)c1ccccc1Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001174685903 1132435989 /nfs/dbraw/zinc/43/59/89/1132435989.db2.gz CPTVSXKZZXLCQS-UHFFFAOYSA-N -1 0 342.395 3.619 20 0 EHADRM COc1cc(Nc2cc(C(F)(F)F)ccc2O)ccc1C(=O)[O-] ZINC001174685628 1132436005 /nfs/dbraw/zinc/43/60/05/1132436005.db2.gz WZTLWTUAJYPIQQ-UHFFFAOYSA-N -1 0 327.258 3.861 20 0 EHADRM COc1cc(Nc2cc(C)nc(Br)c2)ccc1C(=O)[O-] ZINC001174683429 1132436041 /nfs/dbraw/zinc/43/60/41/1132436041.db2.gz XYCWCOFDKFNTRN-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM COc1cc(Nc2cc3nsnc3cc2Cl)ccc1C(=O)[O-] ZINC001174686211 1132436600 /nfs/dbraw/zinc/43/66/00/1132436600.db2.gz MHDVHGQYMIQDMZ-UHFFFAOYSA-N -1 0 335.772 3.795 20 0 EHADRM CSc1ccc(F)cc1CNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000746332698 1132459091 /nfs/dbraw/zinc/45/90/91/1132459091.db2.gz PFHIAWPYPMLHKW-UHFFFAOYSA-N -1 0 348.424 3.908 20 0 EHADRM COc1ccccc1Cn1nc(C)cc1Nc1ccc(C(=O)[O-])s1 ZINC001174806211 1132478315 /nfs/dbraw/zinc/47/83/15/1132478315.db2.gz WZNAUUQBFUUZHL-UHFFFAOYSA-N -1 0 343.408 3.752 20 0 EHADRM Cc1cc(C)c(Nc2ccc(C(=O)[O-])s2)c(Br)n1 ZINC001174804800 1132478351 /nfs/dbraw/zinc/47/83/51/1132478351.db2.gz DMWWRVUVZDZDLF-UHFFFAOYSA-N -1 0 327.203 3.964 20 0 EHADRM Cc1cc(O)c(Nc2ccc(C(=O)[O-])s2)cc1Br ZINC001174808101 1132479315 /nfs/dbraw/zinc/47/93/15/1132479315.db2.gz RRPXNSVGSMJWFX-UHFFFAOYSA-N -1 0 328.187 3.966 20 0 EHADRM CCOC(=O)c1[n-]cnc1-c1nc(-c2ccc(C)c3ccccc23)no1 ZINC001212766925 1132490349 /nfs/dbraw/zinc/49/03/49/1132490349.db2.gz GBXLLPZFYABTAY-UHFFFAOYSA-N -1 0 348.362 3.765 20 0 EHADRM CC[C@](C)([N-]S(=O)(=O)/C=C/c1ccccc1Cl)C(F)(F)F ZINC000746400230 1132510665 /nfs/dbraw/zinc/51/06/65/1132510665.db2.gz CTOBQGXCGUZJOT-BCPZQOPPSA-N -1 0 341.782 3.961 20 0 EHADRM CCOc1cc(Nc2c(C)cc(C)cc2S(=O)(=O)[O-])ccc1F ZINC001175054847 1132551570 /nfs/dbraw/zinc/55/15/70/1132551570.db2.gz QBLNZYFWYHCEAP-UHFFFAOYSA-N -1 0 339.388 3.832 20 0 EHADRM O=C([O-])c1ccc(Nc2nccnc2OCc2ccccc2)cc1F ZINC001175154766 1132568982 /nfs/dbraw/zinc/56/89/82/1132568982.db2.gz SPTUZUMLMCKHRU-UHFFFAOYSA-N -1 0 339.326 3.637 20 0 EHADRM CC(C)(C)NC(=O)c1ccccc1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175157859 1132569541 /nfs/dbraw/zinc/56/95/41/1132569541.db2.gz VQNJAJYKMXJFMB-UHFFFAOYSA-N -1 0 330.359 3.796 20 0 EHADRM COC(=O)c1cccc2c(Nc3ccc(C(=O)[O-])c(F)c3)ccnc12 ZINC001175158831 1132570484 /nfs/dbraw/zinc/57/04/84/1132570484.db2.gz SEOSPRXBGFSSRX-UHFFFAOYSA-N -1 0 340.310 3.602 20 0 EHADRM CC1(C)CC(=O)Nc2cc(Nc3ccc(C(=O)[O-])c(F)c3)ccc21 ZINC001175160708 1132571224 /nfs/dbraw/zinc/57/12/24/1132571224.db2.gz SCTDUXXLBSNLNP-UHFFFAOYSA-N -1 0 328.343 3.887 20 0 EHADRM CC(C)(C)OC(=O)c1ccc(Nc2ccc(C(=O)[O-])c(F)c2)cc1O ZINC001175160847 1132571792 /nfs/dbraw/zinc/57/17/92/1132571792.db2.gz NUEBGDPXTVVFQY-UHFFFAOYSA-N -1 0 347.342 3.928 20 0 EHADRM CC(=O)c1ccccc1Nc1ccc(Cl)cc1S(=O)(=O)[O-] ZINC001175181692 1132590408 /nfs/dbraw/zinc/59/04/08/1132590408.db2.gz ZYSLWXRANHITCR-UHFFFAOYSA-N -1 0 325.773 3.533 20 0 EHADRM COc1cccc(-n2nc(C)cc2Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC001175220074 1132598744 /nfs/dbraw/zinc/59/87/44/1132598744.db2.gz KSKISLDNCILVIX-UHFFFAOYSA-N -1 0 341.342 3.770 20 0 EHADRM CCOC(=O)c1c(F)cc(F)cc1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175221820 1132598821 /nfs/dbraw/zinc/59/88/21/1132598821.db2.gz NWKRMEBVUQBSKB-UHFFFAOYSA-N -1 0 339.269 3.722 20 0 EHADRM COc1cc(Nc2ccc(F)c(C(=O)[O-])c2)ncc1C(F)(F)F ZINC001175220427 1132599080 /nfs/dbraw/zinc/59/90/80/1132599080.db2.gz PGMKBWHCBXDNKM-UHFFFAOYSA-N -1 0 330.237 3.690 20 0 EHADRM O=C(Nc1ccc(-n2ccc(=O)[nH]2)cc1)[C@H]1CCCC[C@H]1C1CC1 ZINC001168921577 1132606556 /nfs/dbraw/zinc/60/65/56/1132606556.db2.gz DKELUNHNVKFFAX-IRXDYDNUSA-N -1 0 325.412 3.733 20 0 EHADRM Cc1nc(Nc2ccc(C(=O)[O-])c(Cl)c2)cnc1Br ZINC001175314647 1132635131 /nfs/dbraw/zinc/63/51/31/1132635131.db2.gz WFMREPPFYJADQL-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM O=C([O-])c1ccc(Nc2cccc3c2CN(C2CC2)C3=O)cc1Cl ZINC001175320696 1132638193 /nfs/dbraw/zinc/63/81/93/1132638193.db2.gz JKICGMDRKCZVMU-UHFFFAOYSA-N -1 0 342.782 3.900 20 0 EHADRM CCOc1cc(Nc2ccc(C(=O)[O-])c(Cl)c2)cc(C(=O)OC)c1 ZINC001175322019 1132639462 /nfs/dbraw/zinc/63/94/62/1132639462.db2.gz QKDBOIWNPXDXBD-UHFFFAOYSA-N -1 0 349.770 3.967 20 0 EHADRM [S-]c1cc(Br)ccc1Nc1ccc(-c2nn[nH]n2)cc1 ZINC001175432847 1132668176 /nfs/dbraw/zinc/66/81/76/1132668176.db2.gz MJFKOQHMHZGSND-UHFFFAOYSA-N -1 0 348.229 3.662 20 0 EHADRM O=C(Nc1ccc2[nH]c(=O)n(C3CC3)c2c1)c1ccc(Cl)c([O-])c1 ZINC001175447721 1132684394 /nfs/dbraw/zinc/68/43/94/1132684394.db2.gz WWHDGTNIMHBTJJ-UHFFFAOYSA-N -1 0 343.770 3.688 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccc(-n2[n-]c(=O)c3cc(N)ccc32)cc1 ZINC001175552264 1132709354 /nfs/dbraw/zinc/70/93/54/1132709354.db2.gz YZECEVDDRDPZND-UHFFFAOYSA-N -1 0 340.383 3.660 20 0 EHADRM O=c1cc(CNc2cc(-c3ccncc3)c(-c3ccccc3)nn2)o[n-]1 ZINC001169482896 1132765744 /nfs/dbraw/zinc/76/57/44/1132765744.db2.gz WYLSLETWSWDEHC-UHFFFAOYSA-N -1 0 345.362 3.511 20 0 EHADRM O=C([O-])c1cncc(Nc2ccc(OC(F)(F)C(F)F)cc2)c1 ZINC001175841858 1132772710 /nfs/dbraw/zinc/77/27/10/1132772710.db2.gz AQFGXXZJKAZJRW-UHFFFAOYSA-N -1 0 330.237 3.760 20 0 EHADRM O=S(=O)([O-])c1cccc(NCc2ccc(-c3ccccn3)cc2)c1 ZINC001169899987 1132890664 /nfs/dbraw/zinc/89/06/64/1132890664.db2.gz PFRPNCFTDMUPCE-UHFFFAOYSA-N -1 0 340.404 3.607 20 0 EHADRM O=C([O-])c1cc(Nc2c(F)cccc2OC[C@@H]2CCCO2)cs1 ZINC001176440056 1132929742 /nfs/dbraw/zinc/92/97/42/1132929742.db2.gz DOCQBGBTIBUCKY-NSHDSACASA-N -1 0 337.372 3.887 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)[C@H]2SCCc3sccc32)cc1 ZINC000767088379 1132946922 /nfs/dbraw/zinc/94/69/22/1132946922.db2.gz JZAXOIFHEZXFRF-UYZDIKGJSA-N -1 0 345.445 3.815 20 0 EHADRM COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000767089129 1132947448 /nfs/dbraw/zinc/94/74/48/1132947448.db2.gz UQWLWZIYEWXOHA-VESHTZQJSA-N -1 0 337.375 3.535 20 0 EHADRM COc1ccccc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000767089120 1132947921 /nfs/dbraw/zinc/94/79/21/1132947921.db2.gz UQWLWZIYEWXOHA-BAMWUGHESA-N -1 0 337.375 3.535 20 0 EHADRM CCOC(=O)c1ccsc1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176582937 1132959924 /nfs/dbraw/zinc/95/99/24/1132959924.db2.gz RVSAWIUCTQNCTB-UHFFFAOYSA-N -1 0 331.393 3.785 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3cc(Cl)c4nccn4c3)cc2)CC1 ZINC001176584843 1132960639 /nfs/dbraw/zinc/96/06/39/1132960639.db2.gz RMZAQJMRRNUBLH-UHFFFAOYSA-N -1 0 327.771 3.848 20 0 EHADRM COC(=O)c1scc(C)c1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176583329 1132960688 /nfs/dbraw/zinc/96/06/88/1132960688.db2.gz YAANTGNBGGYWRW-UHFFFAOYSA-N -1 0 331.393 3.703 20 0 EHADRM COc1ccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c(C(C)=O)c1 ZINC001176588137 1132962039 /nfs/dbraw/zinc/96/20/39/1132962039.db2.gz JJNWGYUNARBXQC-UHFFFAOYSA-N -1 0 325.364 3.758 20 0 EHADRM COC(=O)c1cc(F)c(Nc2ccc(/C=C/C(=O)[O-])cc2)cc1F ZINC001176596707 1132964583 /nfs/dbraw/zinc/96/45/83/1132964583.db2.gz JODHRGJOAAINGI-QPJJXVBHSA-N -1 0 333.290 3.593 20 0 EHADRM COCCOc1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)cc1F ZINC001176595376 1132964693 /nfs/dbraw/zinc/96/46/93/1132964693.db2.gz JKYRUVWYSLGQSZ-RUDMXATFSA-N -1 0 331.343 3.692 20 0 EHADRM CC(C)(C)c1nnc([N-]c2cc(C(=O)N3CCCCC3)ccc2F)o1 ZINC001176684322 1132982575 /nfs/dbraw/zinc/98/25/75/1132982575.db2.gz VIMNNAKOCZIRJY-UHFFFAOYSA-N -1 0 346.406 3.876 20 0 EHADRM CCOC(=O)c1cnc2cc(Nc3ccc(C(=O)[O-])cc3)ccc2c1 ZINC001176713301 1132994972 /nfs/dbraw/zinc/99/49/72/1132994972.db2.gz BVOWECJZBWHHOM-UHFFFAOYSA-N -1 0 336.347 3.853 20 0 EHADRM COc1ccc(Cn2ncc(C)c2Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001176710115 1132995188 /nfs/dbraw/zinc/99/51/88/1132995188.db2.gz FEDRORUPXDXQEO-UHFFFAOYSA-N -1 0 337.379 3.690 20 0 EHADRM COC(=O)c1ccc(Nc2ccc(C(=O)[O-])cc2)cc1C(F)(F)F ZINC001176714670 1132996088 /nfs/dbraw/zinc/99/60/88/1132996088.db2.gz SDNITIWBRZUPRM-UHFFFAOYSA-N -1 0 339.269 3.934 20 0 EHADRM Cc1cc(C)c(C=CC(=O)N2Cc3nc(C4CC4)[nH]c(=O)c3C2)cc1C ZINC001176858754 1133009273 /nfs/dbraw/zinc/00/92/73/1133009273.db2.gz KVAWPNFFDHVGLL-SREVYHEPSA-N -1 0 349.434 3.540 20 0 EHADRM O=C(Nc1ccccc1[S-])C(O)(c1cccs1)c1cccs1 ZINC001177768962 1133100103 /nfs/dbraw/zinc/10/01/03/1133100103.db2.gz PPQCUEMNZIOGBB-UHFFFAOYSA-N -1 0 347.486 3.973 20 0 EHADRM CCc1csc([N-]S(=O)(=O)/C=C/c2cccc(Cl)c2)n1 ZINC000768859207 1133187197 /nfs/dbraw/zinc/18/71/97/1133187197.db2.gz UDVZOANZKGWJCW-VOTSOKGWSA-N -1 0 328.846 3.772 20 0 EHADRM COc1ccc(F)cc1[N-]S(=O)(=O)/C=C\c1cccc(Cl)c1 ZINC000768890398 1133197397 /nfs/dbraw/zinc/19/73/97/1133197397.db2.gz VCBOKWNJXYNEEB-FPLPWBNLSA-N -1 0 341.791 3.900 20 0 EHADRM CCC1(C(=O)Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)CCC1 ZINC001179023953 1133219062 /nfs/dbraw/zinc/21/90/62/1133219062.db2.gz POJYAGMLFYWTAY-UHFFFAOYSA-N -1 0 333.409 3.605 20 0 EHADRM CCc1cccc(OCC(=O)Nc2ccc3[n-]c(=S)oc3c2)c1 ZINC000769245589 1133250490 /nfs/dbraw/zinc/25/04/90/1133250490.db2.gz IYAABYFPGVGZPX-UHFFFAOYSA-N -1 0 328.393 3.696 20 0 EHADRM O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1c([O-])cccc1Cl ZINC000769646309 1133319980 /nfs/dbraw/zinc/31/99/80/1133319980.db2.gz DYYMHFSSZJKBRD-UHFFFAOYSA-N -1 0 344.798 3.534 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)c(Cl)n1 ZINC000769651678 1133326161 /nfs/dbraw/zinc/32/61/61/1133326161.db2.gz PUYPRLGAQCJJMM-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM COC1(CNC(=O)c2ccc3[n-]c(=S)oc3c2)CCCCCC1 ZINC001180171618 1133342225 /nfs/dbraw/zinc/34/22/25/1133342225.db2.gz UHEMYLVEYDLIOP-UHFFFAOYSA-N -1 0 334.441 3.586 20 0 EHADRM Cc1cccc(NC(=O)C2(C(=O)[O-])CCCCC2)c1Br ZINC001180436441 1133369593 /nfs/dbraw/zinc/36/95/93/1133369593.db2.gz KOEFLPVYAXODCP-UHFFFAOYSA-N -1 0 340.217 3.731 20 0 EHADRM CC(C)Cc1coc(NC(=O)c2ccc(C(F)(F)F)c(O)c2)n1 ZINC001180596385 1133397212 /nfs/dbraw/zinc/39/72/12/1133397212.db2.gz PMNWMFIWEXTKFQ-UHFFFAOYSA-N -1 0 328.290 3.850 20 0 EHADRM O=C(/C=C\c1cncc(F)c1)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000770452949 1133432365 /nfs/dbraw/zinc/43/23/65/1133432365.db2.gz SERYFIYKSVMZEX-UPHRSURJSA-N -1 0 327.142 3.885 20 0 EHADRM O=C(CCc1ccccc1)C(=O)Nc1ccc2[n-]c(=S)sc2c1 ZINC001180965483 1133437052 /nfs/dbraw/zinc/43/70/52/1133437052.db2.gz LXLHXZCBDXMKKC-UHFFFAOYSA-N -1 0 342.445 3.725 20 0 EHADRM O=C(Nc1ccccc1[S-])C12CC(C1)CCN2Cc1ccccc1 ZINC001181486464 1133496838 /nfs/dbraw/zinc/49/68/38/1133496838.db2.gz DMSKPEIZLMSQOJ-UHFFFAOYSA-N -1 0 338.476 3.969 20 0 EHADRM O=C(NOCc1ccccc1)C1(CCOCc2ccccc2)CC1 ZINC000771099205 1133509257 /nfs/dbraw/zinc/50/92/57/1133509257.db2.gz QLPRQGFKCQRXNE-UHFFFAOYSA-N -1 0 325.408 3.622 20 0 EHADRM O=C(N[C@@H]1C[C@@H]2CC[C@H]1O2)C(F)(F)c1cccc(Cl)c1Cl ZINC001181735317 1133525510 /nfs/dbraw/zinc/52/55/10/1133525510.db2.gz YATWOIIARDOWIR-WHGOUJPWSA-N -1 0 336.165 3.521 20 0 EHADRM CC(C)c1ccc(C2(C(=O)[N-]S(=O)(=O)C3CCC3)CCCC2)cc1 ZINC000774284257 1133656484 /nfs/dbraw/zinc/65/64/84/1133656484.db2.gz RWASJSNJRLNNCP-UHFFFAOYSA-N -1 0 349.496 3.620 20 0 EHADRM CC(C)c1cccc(-c2ccc(C(=O)[N-]S(=O)(=O)C3CCC3)o2)c1 ZINC000774288689 1133657502 /nfs/dbraw/zinc/65/75/02/1133657502.db2.gz BPUNGSGLKPTDFT-UHFFFAOYSA-N -1 0 347.436 3.682 20 0 EHADRM COc1ccccc1[C@@H]1CCN(C(=O)Cc2ccc([S-])cc2)C1 ZINC001183184039 1133776646 /nfs/dbraw/zinc/77/66/46/1133776646.db2.gz FSCDYSITICWDGL-OAHLLOKOSA-N -1 0 327.449 3.543 20 0 EHADRM O=C(Nc1ccc([C@@H]2CCOC2)cc1)c1cc(F)cc(Cl)c1[O-] ZINC001183609536 1133828106 /nfs/dbraw/zinc/82/81/06/1133828106.db2.gz BNVVTCNNJDYHPT-LLVKDONJSA-N -1 0 335.762 3.941 20 0 EHADRM COC(=O)c1ccc(-c2cc(Cl)c([O-])c(Cl)c2)c(OC)n1 ZINC001242854208 1133846230 /nfs/dbraw/zinc/84/62/30/1133846230.db2.gz VAUQTIAEBYNAAY-UHFFFAOYSA-N -1 0 328.151 3.556 20 0 EHADRM Cc1c(Cl)cc(NC(=O)[C@H]2C[C@@]23CCCOC3)c([O-])c1Cl ZINC001183726018 1133846419 /nfs/dbraw/zinc/84/64/19/1133846419.db2.gz WQVCOURFRJARIJ-RFAUZJTJSA-N -1 0 330.211 3.763 20 0 EHADRM COc1cccc(/C(C)=C\C(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC000786615985 1133878393 /nfs/dbraw/zinc/87/83/93/1133878393.db2.gz YUQIPBHCYOQMBE-KAMYIIQDSA-N -1 0 339.391 3.754 20 0 EHADRM Cc1c(Cl)cc(NC(=O)[C@H]2CC[C@H](CO)CC2)c([O-])c1Cl ZINC001184758040 1133983447 /nfs/dbraw/zinc/98/34/47/1133983447.db2.gz LAERVCFEQFCRKL-MGCOHNPYSA-N -1 0 332.227 3.745 20 0 EHADRM O=S(=O)([N-]c1ccccc1-c1ccccn1)c1cccnc1Cl ZINC001184867340 1134000539 /nfs/dbraw/zinc/00/05/39/1134000539.db2.gz SAWYIKPJURCEAR-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM O=S(=O)([N-]c1cccc(Oc2cccnc2)c1)c1ccsc1 ZINC001185391130 1134077713 /nfs/dbraw/zinc/07/77/13/1134077713.db2.gz SYZZCKJTDSDNGR-UHFFFAOYSA-N -1 0 332.406 3.736 20 0 EHADRM O=S(=O)([N-]c1nsc2ncccc12)c1cc2ccccc2s1 ZINC001185429101 1134084258 /nfs/dbraw/zinc/08/42/58/1134084258.db2.gz KHJDKCZXROAZCP-UHFFFAOYSA-N -1 0 347.446 3.707 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)[N-]c1c(C)onc1OC(F)F ZINC000788112320 1134085661 /nfs/dbraw/zinc/08/56/61/1134085661.db2.gz REPRCESORNUWFQ-UHFFFAOYSA-N -1 0 349.293 3.800 20 0 EHADRM C[C@H](O)c1ccccc1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185464107 1134092873 /nfs/dbraw/zinc/09/28/73/1134092873.db2.gz MHEZYXPZQJHDFL-NSHDSACASA-N -1 0 333.434 3.755 20 0 EHADRM Cc1cc(S(=O)(=O)Nc2cccc([C@@H](C)O)c2)ccc1Cl ZINC001185484267 1134096241 /nfs/dbraw/zinc/09/62/41/1134096241.db2.gz DMHICICELJHMFX-LLVKDONJSA-N -1 0 325.817 3.503 20 0 EHADRM CCC(CC)[C@H]([N-]S(=O)(=O)c1conc1C)c1cccs1 ZINC001185720854 1134124939 /nfs/dbraw/zinc/12/49/39/1134124939.db2.gz JOLHNXXTWMCAKK-AWEZNQCLSA-N -1 0 328.459 3.500 20 0 EHADRM O=S(=O)(Nc1ccc2sccc2c1)c1ccc2nsnc2c1 ZINC001186271734 1134191163 /nfs/dbraw/zinc/19/11/63/1134191163.db2.gz YONMTVPMHGUOMR-UHFFFAOYSA-N -1 0 347.446 3.707 20 0 EHADRM Cc1cn2cccc([N-]S(=O)(=O)c3csc4ccccc43)c2n1 ZINC001186451805 1134214504 /nfs/dbraw/zinc/21/45/04/1134214504.db2.gz LCPXSSIPGGUNHV-UHFFFAOYSA-N -1 0 343.433 3.658 20 0 EHADRM Cn1nc(C2CCC2)cc1[N-]S(=O)(=O)c1csc2ccccc21 ZINC001186463564 1134225227 /nfs/dbraw/zinc/22/52/27/1134225227.db2.gz DLIIPXXVPULPKT-UHFFFAOYSA-N -1 0 347.465 3.703 20 0 EHADRM CN(C(=O)c1cc(F)c(F)c([O-])c1F)[C@@H](C1CCC1)C(F)(F)F ZINC001186778375 1134256416 /nfs/dbraw/zinc/25/64/16/1134256416.db2.gz BVUAITLXWNLENT-LBPRGKRZSA-N -1 0 341.251 3.613 20 0 EHADRM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccco3)cc2)ccn1 ZINC001186859287 1134269569 /nfs/dbraw/zinc/26/95/69/1134269569.db2.gz VJKQMUSJKGNUHT-UHFFFAOYSA-N -1 0 330.365 3.576 20 0 EHADRM O=S(=O)([N-]c1ccc(C2CC2)nc1)c1cc2c(s1)CCCC2 ZINC001187184922 1134306290 /nfs/dbraw/zinc/30/62/90/1134306290.db2.gz LOBFAOZHPVNQCJ-UHFFFAOYSA-N -1 0 334.466 3.700 20 0 EHADRM O=S(=O)([N-]c1ccc2cnccc2c1)c1cc2c(s1)CCCC2 ZINC001187174166 1134311901 /nfs/dbraw/zinc/31/19/01/1134311901.db2.gz UDWRKXHQGDJPAU-UHFFFAOYSA-N -1 0 344.461 3.976 20 0 EHADRM O=C(NCC(F)(F)c1ccccc1)c1ccc2[n-]c(=S)oc2c1 ZINC000789862928 1134342498 /nfs/dbraw/zinc/34/24/98/1134342498.db2.gz UZVJRXIYLLHWIE-UHFFFAOYSA-N -1 0 334.347 3.638 20 0 EHADRM O=C([O-])c1cc(NCc2cc(Cl)ccc2F)cc2c1OCCO2 ZINC000789902170 1134348097 /nfs/dbraw/zinc/34/80/97/1134348097.db2.gz LTPMVYRVTHYARA-UHFFFAOYSA-N -1 0 337.734 3.561 20 0 EHADRM CCc1ccccc1NC(=O)Nc1cc(F)c(O)cc1C(=O)OC ZINC001187641249 1134361395 /nfs/dbraw/zinc/36/13/95/1134361395.db2.gz KOWTZRKRCCVXBB-UHFFFAOYSA-N -1 0 332.331 3.524 20 0 EHADRM O=S(=O)([N-]c1c(Cl)cccc1C(F)(F)F)c1nccs1 ZINC001187894233 1134393684 /nfs/dbraw/zinc/39/36/84/1134393684.db2.gz FOSHUMKLCFOWBW-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cc1-c1ccccc1)c1nccs1 ZINC001187898913 1134394008 /nfs/dbraw/zinc/39/40/08/1134394008.db2.gz AYGGDGYXMWIHPK-UHFFFAOYSA-N -1 0 334.397 3.750 20 0 EHADRM COc1ccc(Cl)cc1NC(=O)Nc1ccnc(Cl)c1[O-] ZINC001187905805 1134395350 /nfs/dbraw/zinc/39/53/50/1134395350.db2.gz WGKQFCSMCIQWLO-UHFFFAOYSA-N -1 0 328.155 3.747 20 0 EHADRM C=Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c1 ZINC001187969645 1134405891 /nfs/dbraw/zinc/40/58/91/1134405891.db2.gz RPXJGIQOBCMRBS-UHFFFAOYSA-N -1 0 329.208 3.832 20 0 EHADRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1F)c1ccccc1 ZINC000790477570 1134422133 /nfs/dbraw/zinc/42/21/33/1134422133.db2.gz GAMKHGUEBQGGOO-YOEHRIQHSA-N -1 0 347.361 3.791 20 0 EHADRM Cc1cc(F)cc(C)c1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC001188079271 1134425024 /nfs/dbraw/zinc/42/50/24/1134425024.db2.gz SRCHXTRVKCSRRB-UHFFFAOYSA-N -1 0 349.214 3.945 20 0 EHADRM O=S(=O)([N-]c1cccc2occc21)c1cnc(Cl)c(Cl)c1 ZINC001188076848 1134425111 /nfs/dbraw/zinc/42/51/11/1134425111.db2.gz QGWKFAJQWRFCLM-UHFFFAOYSA-N -1 0 343.191 3.935 20 0 EHADRM CC(C)CC[C@@H]1CCCCN1S(=O)(=O)c1cc([O-])cc(F)c1 ZINC001188184475 1134437739 /nfs/dbraw/zinc/43/77/39/1134437739.db2.gz NJNNXQXAWMARJB-AWEZNQCLSA-N -1 0 329.437 3.511 20 0 EHADRM Cc1cc(C2CC2)nc([N-]S(=O)(=O)/C=C\c2ccccc2Cl)n1 ZINC000790641737 1134449922 /nfs/dbraw/zinc/44/99/22/1134449922.db2.gz BEFXWQFJXABOAI-HJWRWDBZSA-N -1 0 349.843 3.728 20 0 EHADRM Cc1cc(SCC(=O)[N-]OCC(C)C)c(C)cc1Br ZINC000156153936 1134458532 /nfs/dbraw/zinc/45/85/32/1134458532.db2.gz PAAKWBJDLDBARC-UHFFFAOYSA-N -1 0 346.290 3.862 20 0 EHADRM COc1ccc(NC(=O)Nc2ncc(Cl)cc2[O-])cc1Cl ZINC001188442471 1134464522 /nfs/dbraw/zinc/46/45/22/1134464522.db2.gz KFAAKSVXPLIWMA-UHFFFAOYSA-N -1 0 328.155 3.747 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(N2CCCC2)cc1 ZINC000775161091 1134465234 /nfs/dbraw/zinc/46/52/34/1134465234.db2.gz VVVMQSAHJMXRQH-UHFFFAOYSA-N -1 0 334.416 3.535 20 0 EHADRM C[C@H](NC(=O)c1ccc([O-])c(C(F)(F)F)c1)c1nc2ccccc2[nH]1 ZINC001188589311 1134485522 /nfs/dbraw/zinc/48/55/22/1134485522.db2.gz RHIKUFRWDOUQSJ-VIFPVBQESA-N -1 0 349.312 3.778 20 0 EHADRM O=S(=O)(CCc1ccc(Cl)cc1)Nc1ccc(Cl)cc1O ZINC001189103067 1134544841 /nfs/dbraw/zinc/54/48/41/1134544841.db2.gz DFLKUMRFHLTABD-UHFFFAOYSA-N -1 0 346.235 3.683 20 0 EHADRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)Cc2ccc(F)c(F)c2)on1 ZINC001189273493 1134566040 /nfs/dbraw/zinc/56/60/40/1134566040.db2.gz ZHYFTOCQBDFYQO-SNVBAGLBSA-N -1 0 344.383 3.798 20 0 EHADRM O=S(=O)(Cc1ccc(F)c(F)c1)Nc1ccc(Cl)cc1[S-] ZINC001189318490 1134569976 /nfs/dbraw/zinc/56/99/76/1134569976.db2.gz RZAHIXQVTBJUQF-UHFFFAOYSA-N -1 0 349.811 3.849 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2csc(Cl)c2)c1 ZINC001189577424 1134602502 /nfs/dbraw/zinc/60/25/02/1134602502.db2.gz RHZPOUVYRSHPQK-UHFFFAOYSA-N -1 0 338.237 3.864 20 0 EHADRM O=S(=O)(Cc1cc(F)ccc1F)[N-]c1cc(C2CCCC2)no1 ZINC001189644652 1134605762 /nfs/dbraw/zinc/60/57/62/1134605762.db2.gz FNOUMAXSBCQLJA-UHFFFAOYSA-N -1 0 342.367 3.552 20 0 EHADRM O=S(=O)(Cc1cc(F)ccc1F)[N-]c1c(O)ccc2ccccc21 ZINC001189688701 1134611378 /nfs/dbraw/zinc/61/13/78/1134611378.db2.gz SKCAPMUXEFVNLO-UHFFFAOYSA-N -1 0 349.358 3.766 20 0 EHADRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000775296762 1134617428 /nfs/dbraw/zinc/61/74/28/1134617428.db2.gz KCFAWDGAOZJOLU-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM CCCCC(=O)[N-]S(=O)(=O)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000772787440 1134632717 /nfs/dbraw/zinc/63/27/17/1134632717.db2.gz UVYSITDPCNYYPK-VIFPVBQESA-N -1 0 338.256 3.691 20 0 EHADRM CCc1ccc(NC(=O)c2cc(Br)ccc2[S-])cn1 ZINC001189950537 1134640482 /nfs/dbraw/zinc/64/04/82/1134640482.db2.gz CQSIFXBROMBRAP-UHFFFAOYSA-N -1 0 337.242 3.948 20 0 EHADRM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190347681 1134686042 /nfs/dbraw/zinc/68/60/42/1134686042.db2.gz GHDPPIINGZRXMM-UHFFFAOYSA-N -1 0 335.734 3.867 20 0 EHADRM O=S(=O)([N-]c1cccc(C2CCC2)n1)c1cc(F)cc(F)c1F ZINC001190359652 1134687793 /nfs/dbraw/zinc/68/77/93/1134687793.db2.gz GSSVFZLKDOFMEQ-UHFFFAOYSA-N -1 0 342.342 3.567 20 0 EHADRM CCc1ccc([C@@H](C)NS(=O)(=O)c2cc(F)cc(F)c2F)cc1 ZINC001190414417 1134695947 /nfs/dbraw/zinc/69/59/47/1134695947.db2.gz RPLUZRCOSPZUJA-SNVBAGLBSA-N -1 0 343.370 3.706 20 0 EHADRM COc1cc(NS(=O)(=O)c2ccc(C3CC3)cc2)ccc1[S-] ZINC001190505473 1134707876 /nfs/dbraw/zinc/70/78/76/1134707876.db2.gz AFWNRMSAEXMGER-UHFFFAOYSA-N -1 0 335.450 3.662 20 0 EHADRM CC(C)(c1ccccc1)c1ccc([N-]S(=O)(=O)c2ncc[nH]2)cc1 ZINC001190731282 1134744325 /nfs/dbraw/zinc/74/43/25/1134744325.db2.gz NUMMVOXYXQDKIY-UHFFFAOYSA-N -1 0 341.436 3.536 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)sc2c1)c1ccc(=O)[nH]c1Cl ZINC001190915669 1134769828 /nfs/dbraw/zinc/76/98/28/1134769828.db2.gz DDAJINBJEQGNJA-UHFFFAOYSA-N -1 0 337.813 3.591 20 0 EHADRM CCCc1ccnc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)c1 ZINC001191157853 1134804374 /nfs/dbraw/zinc/80/43/74/1134804374.db2.gz MXARMGQXBUUJKL-UHFFFAOYSA-N -1 0 341.436 3.692 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc3ccncc3c2)c1 ZINC001191185890 1134822198 /nfs/dbraw/zinc/82/21/98/1134822198.db2.gz FFADNYZLZFOYKV-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM O=S(=O)(CC1CCCC1)[N-]c1cc(-c2ccccc2Cl)no1 ZINC001191488349 1134872192 /nfs/dbraw/zinc/87/21/92/1134872192.db2.gz AWYRNOWUHHKZQS-UHFFFAOYSA-N -1 0 340.832 3.927 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2Cl)cnc1F ZINC001191728942 1134906123 /nfs/dbraw/zinc/90/61/23/1134906123.db2.gz OHWHBWINWFDNGZ-UHFFFAOYSA-N -1 0 349.214 3.945 20 0 EHADRM Cc1ncc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2Cl)c(C)n1 ZINC001191732217 1134914332 /nfs/dbraw/zinc/91/43/32/1134914332.db2.gz ZNHKOGRMFJZFBB-UHFFFAOYSA-N -1 0 346.239 3.509 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(Cl)cs1 ZINC001191791916 1134924838 /nfs/dbraw/zinc/92/48/38/1134924838.db2.gz HSZRVNXSBJXLJE-UHFFFAOYSA-N -1 0 331.846 3.909 20 0 EHADRM C[C@H]1CC[C@H](NC(=O)Nc2cc(Br)cc(F)c2[O-])CC1 ZINC001191825419 1134931220 /nfs/dbraw/zinc/93/12/20/1134931220.db2.gz GZUFMXVMZZKBBH-CZMCAQCFSA-N -1 0 345.212 3.994 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cccc2occc21 ZINC001191828994 1134932301 /nfs/dbraw/zinc/93/23/01/1134932301.db2.gz NZLRTWXADQSLKS-UHFFFAOYSA-N -1 0 331.393 3.941 20 0 EHADRM Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3cncc(C)n3)cc2)cc1 ZINC001192063759 1134964167 /nfs/dbraw/zinc/96/41/67/1134964167.db2.gz BOXHVXHEQGAQJB-UHFFFAOYSA-N -1 0 339.420 3.561 20 0 EHADRM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1cccc2ccccc21 ZINC001192357565 1135005519 /nfs/dbraw/zinc/00/55/19/1135005519.db2.gz BFLRLRYDCNQFDK-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(C)c3ccccc3n2)cnc1Cl ZINC001192529316 1135031556 /nfs/dbraw/zinc/03/15/56/1135031556.db2.gz HWVLHMFZOFAQCL-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM CCC[C@H]([NH2+]CC(=O)[N-]OCc1ccccc1)c1ccc(F)cc1F ZINC000775543179 1135046242 /nfs/dbraw/zinc/04/62/42/1135046242.db2.gz SFUMFDOSTKGBCI-SFHVURJKSA-N -1 0 348.393 3.644 20 0 EHADRM COc1cc(OC)c(NC(=O)c2c(F)ccc(F)c2[O-])cc1Cl ZINC001192695240 1135046392 /nfs/dbraw/zinc/04/63/92/1135046392.db2.gz WHLRJYNDBYKSGN-UHFFFAOYSA-N -1 0 343.713 3.593 20 0 EHADRM COc1ccc(CNC(=O)c2c(F)ccc(F)c2[O-])c2ccccc12 ZINC001192718504 1135051647 /nfs/dbraw/zinc/05/16/47/1135051647.db2.gz AQIQLROQTPXEAU-UHFFFAOYSA-N -1 0 343.329 3.762 20 0 EHADRM O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1c(F)ccc(F)c1[O-] ZINC001192721075 1135052070 /nfs/dbraw/zinc/05/20/70/1135052070.db2.gz XUALOXGZHJHKLI-ZDUSSCGKSA-N -1 0 331.240 3.704 20 0 EHADRM Cc1ccc(NC(=O)c2c([O-])ccc(F)c2F)cc1OC(F)F ZINC001192765462 1135052100 /nfs/dbraw/zinc/05/21/00/1135052100.db2.gz YRJNTQHCDFZMLZ-UHFFFAOYSA-N -1 0 329.249 3.833 20 0 EHADRM O=C(Nc1ccc2ncnc(Cl)c2c1)c1c([O-])ccc(F)c1F ZINC001192770679 1135053234 /nfs/dbraw/zinc/05/32/34/1135053234.db2.gz XRDRSHODXCUYPM-UHFFFAOYSA-N -1 0 335.697 3.519 20 0 EHADRM Cc1ccccc1-c1cc(NC(=O)c2ccc([O-])c(F)c2F)n(C)n1 ZINC001192831866 1135060063 /nfs/dbraw/zinc/06/00/63/1135060063.db2.gz JCJLREXAXCYRFK-UHFFFAOYSA-N -1 0 343.333 3.632 20 0 EHADRM O=C(Nc1ccc(-c2cccnc2)cc1)c1ccc([O-])c(F)c1F ZINC001192840640 1135063743 /nfs/dbraw/zinc/06/37/43/1135063743.db2.gz VEOZWIJLXCZKDW-UHFFFAOYSA-N -1 0 326.302 3.985 20 0 EHADRM O=C(NCCc1ccccc1C(F)(F)F)c1ccc([O-])c(F)c1F ZINC001192841639 1135063920 /nfs/dbraw/zinc/06/39/20/1135063920.db2.gz AKRMQUKXAYFGBQ-UHFFFAOYSA-N -1 0 345.267 3.662 20 0 EHADRM C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC000804528981 1135108222 /nfs/dbraw/zinc/10/82/22/1135108222.db2.gz PEDFJOOEFGMBSU-RDTXWAMCSA-N -1 0 347.418 3.949 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c3ccccc32)c(O)c1 ZINC001193857959 1135196563 /nfs/dbraw/zinc/19/65/63/1135196563.db2.gz QSQMUBMFFOXSMR-UHFFFAOYSA-N -1 0 327.405 3.963 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccccc2N)snc1-c1ccccc1 ZINC001193901432 1135202389 /nfs/dbraw/zinc/20/23/89/1135202389.db2.gz ZWZLAXWHVZCDAN-UHFFFAOYSA-N -1 0 345.449 3.502 20 0 EHADRM CCCC[C@@H](CC)COC(=O)Nc1cc(S(C)(=O)=O)ccc1[O-] ZINC001193966828 1135207847 /nfs/dbraw/zinc/20/78/47/1135207847.db2.gz CDPBNHBDWWWIGY-GFCCVEGCSA-N -1 0 343.445 3.561 20 0 EHADRM Cc1ccnc([N-]S(=O)(=O)c2ccc(-c3cccs3)cc2)c1 ZINC001194131334 1135230250 /nfs/dbraw/zinc/23/02/50/1135230250.db2.gz VHKILFXGBCTMDT-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)N1CCC(C(C)(C)C)CC1 ZINC001194261851 1135252019 /nfs/dbraw/zinc/25/20/19/1135252019.db2.gz XRINWSRMZMLMCN-UHFFFAOYSA-N -1 0 341.455 3.785 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cccc(NC(=O)C2CC2)c1 ZINC000805257336 1135253237 /nfs/dbraw/zinc/25/32/37/1135253237.db2.gz YMIUNCPCYMBLJO-UHFFFAOYSA-N -1 0 348.761 3.786 20 0 EHADRM CC(C)(C)COC(=O)Nc1ccc2c(cccc2S(=O)(=O)[O-])c1 ZINC001194386809 1135263134 /nfs/dbraw/zinc/26/31/34/1135263134.db2.gz OAQIGVZEZDVJHZ-UHFFFAOYSA-N -1 0 337.397 3.681 20 0 EHADRM CCn1ncc([N-]S(=O)(=O)c2cccc3c(Cl)cccc32)c1C ZINC001194410486 1135265637 /nfs/dbraw/zinc/26/56/37/1135265637.db2.gz AXRDWMTWVNPAIJ-UHFFFAOYSA-N -1 0 349.843 3.819 20 0 EHADRM COc1cnc2c(cccc2[N-]S(=O)(=O)c2c(C)cccc2C)c1 ZINC001194643079 1135296239 /nfs/dbraw/zinc/29/62/39/1135296239.db2.gz HUKUMYADUAYIAT-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc(F)c2cccnc12 ZINC001194643064 1135296658 /nfs/dbraw/zinc/29/66/58/1135296658.db2.gz HPGSUAJENVYTIJ-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM CC[C@H](C)COC(=O)Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1 ZINC001194807205 1135323573 /nfs/dbraw/zinc/32/35/73/1135323573.db2.gz PPIOUVAJQZGKFX-NSHDSACASA-N -1 0 337.397 3.681 20 0 EHADRM Cc1c(O)ccc2c(C[N@@H+]3CCC[C@@H]3c3cccnc3)cc(=O)oc12 ZINC000805746703 1135323758 /nfs/dbraw/zinc/32/37/58/1135323758.db2.gz GDWNKGPJNOHVHT-QGZVFWFLSA-N -1 0 336.391 3.539 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C(C)C)no2)c(C)c1C ZINC001194839191 1135329166 /nfs/dbraw/zinc/32/91/66/1135329166.db2.gz RGAJAQIPRYPIGE-UHFFFAOYSA-N -1 0 338.429 3.533 20 0 EHADRM COc1ccccc1OC(=O)Nc1c(Cl)c(F)[n-]c(=O)c1Cl ZINC001195234597 1135389864 /nfs/dbraw/zinc/38/98/64/1135389864.db2.gz NTKYUKPHYZMQMB-UHFFFAOYSA-N -1 0 347.129 3.853 20 0 EHADRM CC(C)(CNC(=O)c1c([O-])c(F)c(F)c(F)c1F)c1ccccc1 ZINC001195303611 1135409691 /nfs/dbraw/zinc/40/96/91/1135409691.db2.gz ZVZKIGTWNXMURU-UHFFFAOYSA-N -1 0 341.304 3.656 20 0 EHADRM COc1cc(CNC(=O)c2cccc(Cl)c2[O-])ccc1OC(C)C ZINC000775658281 1135423559 /nfs/dbraw/zinc/42/35/59/1135423559.db2.gz JAGVUQSRODJFFQ-UHFFFAOYSA-N -1 0 349.814 3.771 20 0 EHADRM O=S(=O)([N-]c1ccccc1OC1CCCCC1)c1ccc(O)cc1 ZINC001195802653 1135472605 /nfs/dbraw/zinc/47/26/05/1135472605.db2.gz IENMDCHBTGQVLP-UHFFFAOYSA-N -1 0 347.436 3.905 20 0 EHADRM O=C(Nc1cc(Br)cc(Cl)c1[O-])c1cccnc1F ZINC000807172377 1135525031 /nfs/dbraw/zinc/52/50/31/1135525031.db2.gz XPAHVFOOKDMVIY-UHFFFAOYSA-N -1 0 345.555 3.595 20 0 EHADRM O=S(=O)([N-]c1ccnc(-c2ccccc2)c1)c1ccc(Cl)cn1 ZINC001196203783 1135530365 /nfs/dbraw/zinc/53/03/65/1135530365.db2.gz NGOIRVRVYOXJQX-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM O=C([O-])c1nnc(-c2ccc(F)c(Cl)c2F)cc1C(F)(F)F ZINC001244037546 1135532191 /nfs/dbraw/zinc/53/21/91/1135532191.db2.gz NXHSCTSCIMBVMC-UHFFFAOYSA-N -1 0 338.619 3.792 20 0 EHADRM CCc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC001196247070 1135535318 /nfs/dbraw/zinc/53/53/18/1135535318.db2.gz XPULOEQUCMXMCK-UHFFFAOYSA-N -1 0 331.224 3.752 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccncc2)cc1)c1ccc(Cl)cn1 ZINC001196243954 1135540130 /nfs/dbraw/zinc/54/01/30/1135540130.db2.gz CMLLIGDUCVTEMS-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(C)nc3c(F)cccc23)c(F)c1 ZINC001196353272 1135550183 /nfs/dbraw/zinc/55/01/83/1135550183.db2.gz IELLQNVHEQQXAT-UHFFFAOYSA-N -1 0 348.374 3.931 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2cnco2)c(F)c1 ZINC001196382434 1135552717 /nfs/dbraw/zinc/55/27/17/1135552717.db2.gz ASXQJHZDVAZAJP-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM O=S(=O)([N-]c1ccnc(F)c1)c1ccc2cc(Cl)ccc2c1 ZINC001196414643 1135561162 /nfs/dbraw/zinc/56/11/62/1135561162.db2.gz SPAYRKSERGBQEQ-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM CCOc1cc([N-]S(=O)(=O)c2ccc(Cl)nc2C)ccc1C ZINC000808086600 1135616334 /nfs/dbraw/zinc/61/63/34/1135616334.db2.gz DDNYGBSNHBMVRB-UHFFFAOYSA-N -1 0 340.832 3.551 20 0 EHADRM Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000808111745 1135618540 /nfs/dbraw/zinc/61/85/40/1135618540.db2.gz FNXRUNFRXFIIIE-UHFFFAOYSA-N -1 0 332.759 3.782 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000775749582 1135635103 /nfs/dbraw/zinc/63/51/03/1135635103.db2.gz IOTWUYQCHAHBIJ-CYBMUJFWSA-N -1 0 333.790 3.890 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N2CCC[C@@H]2c2cccs2)cc1 ZINC001197096254 1135645563 /nfs/dbraw/zinc/64/55/63/1135645563.db2.gz WPNXCKLBSLLWAQ-CYBMUJFWSA-N -1 0 332.450 3.980 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2ccc(N3CCCC3)cc2)cc1 ZINC001197069069 1135646837 /nfs/dbraw/zinc/64/68/37/1135646837.db2.gz APUHQKOXFOGKES-UHFFFAOYSA-N -1 0 341.436 3.794 20 0 EHADRM CC(C)(Cc1ccccc1F)NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197136702 1135648952 /nfs/dbraw/zinc/64/89/52/1135648952.db2.gz JJHSPVUPNCIJJU-UHFFFAOYSA-N -1 0 346.427 3.832 20 0 EHADRM COc1ccc([C@H](C)NC(=S)Nc2ccc(C(=O)[O-])cc2)cc1F ZINC001197137478 1135648968 /nfs/dbraw/zinc/64/89/68/1135648968.db2.gz SCJZOSZGKZRBSP-JTQLQIEISA-N -1 0 348.399 3.580 20 0 EHADRM CCN(Cc1ccc(F)cc1)C(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197102345 1135649572 /nfs/dbraw/zinc/64/95/72/1135649572.db2.gz APWNVRDVQLGAQG-UHFFFAOYSA-N -1 0 332.400 3.743 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N2CCC3(CC[C@@H](F)C3)CC2)cc1 ZINC001197102432 1135649632 /nfs/dbraw/zinc/64/96/32/1135649632.db2.gz BEDNBBCYLRQEGO-CYBMUJFWSA-N -1 0 336.432 3.686 20 0 EHADRM Cc1ccc(CN(C)C(=S)Nc2ccc(C(=O)[O-])cc2)cc1C ZINC001197104713 1135650038 /nfs/dbraw/zinc/65/00/38/1135650038.db2.gz AJBPKQQORBPXDF-UHFFFAOYSA-N -1 0 328.437 3.830 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2ccc3c(c2)[C@@H](O)CCC3)cc1 ZINC001197114994 1135651438 /nfs/dbraw/zinc/65/14/38/1135651438.db2.gz IBBJWWKCTTXBMR-INIZCTEOSA-N -1 0 342.420 3.563 20 0 EHADRM C[C@H](CNC(=O)c1cccc(Cl)c1[O-])c1nc2ccccc2o1 ZINC000775769048 1135677840 /nfs/dbraw/zinc/67/78/40/1135677840.db2.gz ZGSMXADVKVNISG-SNVBAGLBSA-N -1 0 330.771 3.720 20 0 EHADRM O=S(=O)(Cc1cccc(Cl)c1)[N-]c1nc2ccsc2s1 ZINC000808537289 1135690887 /nfs/dbraw/zinc/69/08/87/1135690887.db2.gz WGRWEJJWMUNPRS-UHFFFAOYSA-N -1 0 344.870 3.953 20 0 EHADRM Cc1cc(F)nc([N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)c1 ZINC001197508690 1135697418 /nfs/dbraw/zinc/69/74/18/1135697418.db2.gz PUIYCSZOIIBGKT-UHFFFAOYSA-N -1 0 349.214 3.778 20 0 EHADRM COc1cccc2c(C(=O)OCc3ccc(C(F)F)cc3)n[nH]c21 ZINC000808676741 1135715143 /nfs/dbraw/zinc/71/51/43/1135715143.db2.gz QBZDCUJLBOTCDA-UHFFFAOYSA-N -1 0 332.306 3.866 20 0 EHADRM CN(C)c1nc2cc(NC(=O)c3cccc(Cl)c3[O-])ccc2o1 ZINC000775780904 1135722224 /nfs/dbraw/zinc/72/22/24/1135722224.db2.gz SJPNTKVGATVAFH-UHFFFAOYSA-N -1 0 331.759 3.505 20 0 EHADRM CCCCC[C@@H](CC)C(=O)Nc1cc(S(=O)(=O)CC)ccc1[O-] ZINC000775781601 1135725653 /nfs/dbraw/zinc/72/56/53/1135725653.db2.gz PWQJASKKQKXHMX-CYBMUJFWSA-N -1 0 341.473 3.731 20 0 EHADRM Cc1cccc(NS(=O)(=O)Cc2cccc(Cl)c2Cl)c1O ZINC001197744374 1135733410 /nfs/dbraw/zinc/73/34/10/1135733410.db2.gz FTZUOJRHOWBHQW-UHFFFAOYSA-N -1 0 346.235 3.949 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2cccnc2)cc1)c1cccc(Cl)n1 ZINC001198232734 1135789744 /nfs/dbraw/zinc/78/97/44/1135789744.db2.gz FYEGPHOEQUNBBI-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM COc1cccc2c([N-]S(=O)(=O)c3cccc(Cl)n3)cccc12 ZINC001198237638 1135790627 /nfs/dbraw/zinc/79/06/27/1135790627.db2.gz HTPUWQPXRDGPNB-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cccc(O)c3)cc2)cn1 ZINC001198324783 1135801096 /nfs/dbraw/zinc/80/10/96/1135801096.db2.gz ADPUWIUASRAELM-UHFFFAOYSA-N -1 0 340.404 3.563 20 0 EHADRM CSc1cc(C)nc(SC)c1[N-]C(=O)c1n[nH]c2c1CC[C@H]2C ZINC001198425720 1135813341 /nfs/dbraw/zinc/81/33/41/1135813341.db2.gz SGUCQYDUWUGCGI-MRVPVSSYSA-N -1 0 348.497 3.859 20 0 EHADRM O=S(=O)([N-]c1nc2ccccc2s1)c1ccc2occc2c1 ZINC001198819321 1135859594 /nfs/dbraw/zinc/85/95/94/1135859594.db2.gz AEQJBKBZMFVTKA-UHFFFAOYSA-N -1 0 330.390 3.843 20 0 EHADRM O=C(CC/C=C/c1ccccc1)[N-]S(=O)(=O)c1ccccc1Cl ZINC000121533621 1135909861 /nfs/dbraw/zinc/90/98/61/1135909861.db2.gz ZFKTZXZQMJQRLJ-ONNFQVAWSA-N -1 0 349.839 3.639 20 0 EHADRM S=C(Nc1cccnc1)Nc1ccc(Br)cc1[S-] ZINC001199902660 1135935060 /nfs/dbraw/zinc/93/50/60/1135935060.db2.gz HIZBADFGUVEAGX-UHFFFAOYSA-N -1 0 340.271 3.942 20 0 EHADRM CCCc1cccc(C(C)C)c1NC(=O)C(=O)[N-]OC/C=C/Cl ZINC000810500921 1135968239 /nfs/dbraw/zinc/96/82/39/1135968239.db2.gz LYFZZRNXCCUWFN-UXBLZVDNSA-N -1 0 338.835 3.501 20 0 EHADRM Cc1ccnc(C)c1[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1F ZINC001201251215 1135999254 /nfs/dbraw/zinc/99/92/54/1135999254.db2.gz DENHDDGTIMKNGK-UHFFFAOYSA-N -1 0 349.214 3.945 20 0 EHADRM O=S(=O)([N-]c1cscn1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC001201347368 1136010568 /nfs/dbraw/zinc/01/05/68/1136010568.db2.gz KXTGGEVRBWTMIC-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)Nc1c(F)cccc1F ZINC001202046383 1136085968 /nfs/dbraw/zinc/08/59/68/1136085968.db2.gz HWPIKYKPFCPGFG-UHFFFAOYSA-N -1 0 330.294 3.500 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccnc(Cl)c2C)c1 ZINC000811836271 1136142954 /nfs/dbraw/zinc/14/29/54/1136142954.db2.gz LTDUKCMRWPRNEE-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N2CC[C@H](c3ccccc3)C2)c1 ZINC000811816415 1136144918 /nfs/dbraw/zinc/14/49/18/1136144918.db2.gz WXSAUQZFLGEDQK-AWEZNQCLSA-N -1 0 329.783 3.668 20 0 EHADRM CCCCOc1ccc(NC(=O)N[C@](C)(CCC)C(=O)[O-])c(C)c1 ZINC000780458454 1136188810 /nfs/dbraw/zinc/18/88/10/1136188810.db2.gz HJRMBROQUCZQSA-GOSISDBHSA-N -1 0 336.432 3.939 20 0 EHADRM O=C(CSc1ccc2c3c(cccc31)CC2)[N-]OC/C=C\Cl ZINC000812403239 1136201697 /nfs/dbraw/zinc/20/16/97/1136201697.db2.gz PHWZDFXHGSGWOK-MBXJOHMKSA-N -1 0 333.840 3.831 20 0 EHADRM CC(C)(C(=O)[N-]OC/C=C\Cl)c1ccc(OC(F)(F)F)cc1 ZINC000812402594 1136202333 /nfs/dbraw/zinc/20/23/33/1136202333.db2.gz GZDQYYISPJCWDO-BAQGIRSFSA-N -1 0 337.725 3.663 20 0 EHADRM C[C@@H](Sc1ccc(Br)cc1)C(=O)[N-]OC1CCC1 ZINC000812790583 1136247938 /nfs/dbraw/zinc/24/79/38/1136247938.db2.gz ZBMJDUPEACHGEB-SECBINFHSA-N -1 0 330.247 3.530 20 0 EHADRM CCCC[C@@](C)(F)C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000850731019 1136298312 /nfs/dbraw/zinc/29/83/12/1136298312.db2.gz ICHQEXDIFZVFOT-QGZVFWFLSA-N -1 0 337.416 3.563 20 0 EHADRM CCC[C@@H](C(=O)OCc1n[n-]c(C)cc1=O)c1ccc(Cl)cc1 ZINC000850955913 1136322629 /nfs/dbraw/zinc/32/26/29/1136322629.db2.gz DDSWNUSPILCHMS-CQSZACIVSA-N -1 0 334.803 3.771 20 0 EHADRM CCCC[C@@](C)(F)C(=O)[N-]S(=O)(=O)[C@H](CC)c1ccccc1 ZINC000851043002 1136331741 /nfs/dbraw/zinc/33/17/41/1136331741.db2.gz BBDCLUIJSHSINS-GDBMZVCRSA-N -1 0 329.437 3.502 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])[C@H](O)c1ccc(Cl)cc1 ZINC000813521853 1136341644 /nfs/dbraw/zinc/34/16/44/1136341644.db2.gz QXWSGZNALKZNDP-GFCCVEGCSA-N -1 0 330.142 3.510 20 0 EHADRM CCCCC(=O)O[C@H]1C[C@@H]([N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000851176336 1136346582 /nfs/dbraw/zinc/34/65/82/1136346582.db2.gz OQALIEOOYWLOGQ-OLZOCXBDSA-N -1 0 329.318 3.584 20 0 EHADRM CC1(CC(=O)O[C@@H]2C[C@@H]([N-]C(=O)C(F)(F)F)c3ccccc32)CC1 ZINC000851179775 1136347053 /nfs/dbraw/zinc/34/70/53/1136347053.db2.gz WQQHPSQHXQQTOY-CHWSQXEVSA-N -1 0 341.329 3.584 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cc(C)ccc1C ZINC000814015120 1136386522 /nfs/dbraw/zinc/38/65/22/1136386522.db2.gz SYUQHFRBASJBID-QGZVFWFLSA-N -1 0 331.437 3.514 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H]1CCCCC1(C)C ZINC000814020607 1136386987 /nfs/dbraw/zinc/38/69/87/1136386987.db2.gz DJMIUMRLSZZUJJ-JKSUJKDBSA-N -1 0 337.485 3.800 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN(C(=O)c2ccc(/C=C/C(=O)[O-])o2)C1 ZINC000851594012 1136394969 /nfs/dbraw/zinc/39/49/69/1136394969.db2.gz FVUNURDGUNGDNI-WAEYIKQSSA-N -1 0 339.391 3.571 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCN2C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851596990 1136395502 /nfs/dbraw/zinc/39/55/02/1136395502.db2.gz VVFXNPHFFSDPEI-RMKNXTFCSA-N -1 0 339.391 3.878 20 0 EHADRM CCCN(Cc1ccc(C)cc1)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851601512 1136395776 /nfs/dbraw/zinc/39/57/76/1136395776.db2.gz LKYJGJLGWMMTKH-LUAWRHEFSA-N -1 0 327.380 3.738 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2ccc(/C=C/C(=O)[O-])o2)C1 ZINC000851603645 1136395848 /nfs/dbraw/zinc/39/58/48/1136395848.db2.gz CQOGKKTZAJIOFH-GGMIUFRYSA-N -1 0 343.354 3.740 20 0 EHADRM CC(C)c1ccc2cc(C(=O)NC[C@H](CC(=O)[O-])C3CC3)[nH]c2c1 ZINC000851619393 1136396354 /nfs/dbraw/zinc/39/63/54/1136396354.db2.gz AABKPZFUQAQGQQ-HNNXBMFYSA-N -1 0 328.412 3.522 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)C3CCC(C(=O)[O-])CC3)c2)[nH]c1C ZINC000851692557 1136399676 /nfs/dbraw/zinc/39/96/76/1136399676.db2.gz BOVCABBEDBGEQU-UHFFFAOYSA-N -1 0 341.411 3.523 20 0 EHADRM CCCC[C@@H](NC(=O)C1CCC(C(=O)[O-])CC1)c1ccc(OC)cc1 ZINC000851692671 1136399799 /nfs/dbraw/zinc/39/97/99/1136399799.db2.gz JGORVYZMUIDCGU-LEOMRAHMSA-N -1 0 347.455 3.934 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2cccc(N3CCCCCC3)c2)CC1 ZINC000851693921 1136399826 /nfs/dbraw/zinc/39/98/26/1136399826.db2.gz NFVOZMJNKVWQMQ-UHFFFAOYSA-N -1 0 344.455 3.897 20 0 EHADRM CCOC(=O)c1[n-]c(NC(=O)CCCC2CCCCC2)nc1Cl ZINC001134101822 1136406661 /nfs/dbraw/zinc/40/66/61/1136406661.db2.gz VTTJUHRKCMNPRM-UHFFFAOYSA-N -1 0 341.839 3.929 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)COc1ccc(Cl)c2ccccc12 ZINC000776629424 1136491390 /nfs/dbraw/zinc/49/13/90/1136491390.db2.gz JXKJWQLJQYACEM-SFHVURJKSA-N -1 0 349.814 3.632 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000776629118 1136491460 /nfs/dbraw/zinc/49/14/60/1136491460.db2.gz BLJVEWXCFMBCSN-HXUWFJFHSA-N -1 0 342.439 3.810 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCC[C@H]1c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000852953393 1136494517 /nfs/dbraw/zinc/49/45/17/1136494517.db2.gz OCTXPHXZXHEDTR-PEJOBZMASA-N -1 0 343.467 3.822 20 0 EHADRM Cc1nc(C)c(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)s1 ZINC000853036847 1136500815 /nfs/dbraw/zinc/50/08/15/1136500815.db2.gz AFDJYGXKSAYCMB-CYBMUJFWSA-N -1 0 345.251 3.982 20 0 EHADRM CC(C)Oc1cccc(CO[N-]C(=O)C(C)(C)c2ccccc2)c1 ZINC000111190203 1136520200 /nfs/dbraw/zinc/52/02/00/1136520200.db2.gz JVQUWOUZQYJZAL-UHFFFAOYSA-N -1 0 327.424 3.999 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cccc(Cl)c1)c1ccc(F)cc1F ZINC000776657283 1136526750 /nfs/dbraw/zinc/52/67/50/1136526750.db2.gz CFLYLRONBNCWQI-AWEZNQCLSA-N -1 0 339.725 3.564 20 0 EHADRM CON(C(=O)c1s[n-]c(=O)c1Cl)[C@@H](C)c1ccccc1C ZINC000854520558 1136623293 /nfs/dbraw/zinc/62/32/93/1136623293.db2.gz ICBJUCPVLGVQOD-VIFPVBQESA-N -1 0 326.805 3.575 20 0 EHADRM CC[C@H](C)CO[N-]C(=O)C(=O)Nc1cc(Cl)ccc1C(C)(C)C ZINC000815711064 1136631851 /nfs/dbraw/zinc/63/18/51/1136631851.db2.gz DYGHZOOXOMVWGD-NSHDSACASA-N -1 0 340.851 3.670 20 0 EHADRM Cc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)[C@@H](c2ccccc2)C(C)C)o1 ZINC000816108355 1136677320 /nfs/dbraw/zinc/67/73/20/1136677320.db2.gz FFKSZIHBBDIOFB-RHSMWYFYSA-N -1 0 349.452 3.535 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H](C)c1ccccc1 ZINC000816112080 1136677599 /nfs/dbraw/zinc/67/75/99/1136677599.db2.gz MIHSBEACSYBUBR-CRAIPNDOSA-N -1 0 345.464 3.633 20 0 EHADRM CCCC1(C(=O)[N-]S(=O)(=O)[C@H](c2ccccc2)C(C)C)CCC1 ZINC000816111736 1136677607 /nfs/dbraw/zinc/67/76/07/1136677607.db2.gz FFLRHZKZZGYHMH-INIZCTEOSA-N -1 0 337.485 3.800 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@@H]1CCC[C@H]1C ZINC000816111404 1136677650 /nfs/dbraw/zinc/67/76/50/1136677650.db2.gz XPICALNCEUIMJU-UWWQBHOKSA-N -1 0 337.485 3.656 20 0 EHADRM Cc1ccc(F)cc1C(=O)[N-]S(=O)(=O)[C@H](c1ccccc1)C(C)C ZINC000816110176 1136677668 /nfs/dbraw/zinc/67/76/68/1136677668.db2.gz UWPDPOLIQXHORT-KRWDZBQOSA-N -1 0 349.427 3.591 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H](F)c1ccccc1 ZINC000816113603 1136678021 /nfs/dbraw/zinc/67/80/21/1136678021.db2.gz WSJOXFCAGFVPDO-IAGOWNOFSA-N -1 0 349.427 3.541 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cccn1C(C)C ZINC000816112440 1136678169 /nfs/dbraw/zinc/67/81/69/1136678169.db2.gz VABPKMHDLWTXSB-QGZVFWFLSA-N -1 0 348.468 3.526 20 0 EHADRM CCCNc1ccc(Cl)cc1NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001137532596 1136699833 /nfs/dbraw/zinc/69/98/33/1136699833.db2.gz IALGKNYBVMHFIA-UHFFFAOYSA-N -1 0 346.774 3.656 20 0 EHADRM C[C@H](CCc1ccccc1)NC(=O)c1cccc(Br)c1[O-] ZINC001135583235 1136718482 /nfs/dbraw/zinc/71/84/82/1136718482.db2.gz NQOKAMGICORQEM-GFCCVEGCSA-N -1 0 348.240 3.906 20 0 EHADRM C[C@@H](Cc1ccccc1F)NC(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000816898395 1136762334 /nfs/dbraw/zinc/76/23/34/1136762334.db2.gz ZXFKOIREFCCCBI-JTQLQIEISA-N -1 0 330.384 3.617 20 0 EHADRM Cc1cc(CC(C)(C)[N-]C(=O)C(F)(F)F)ccc1Br ZINC000817031277 1136771821 /nfs/dbraw/zinc/77/18/21/1136771821.db2.gz YJXXLLWETIGASW-UHFFFAOYSA-N -1 0 338.167 3.757 20 0 EHADRM C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccccc2[S-])CC1=O ZINC000170195278 1136783612 /nfs/dbraw/zinc/78/36/12/1136783612.db2.gz NFKHTOKOBCIUHY-ZFWWWQNUSA-N -1 0 340.448 3.524 20 0 EHADRM O=C([N-]OCC1CC1)C1(c2cccc(Br)c2)CCCC1 ZINC000817344299 1136800331 /nfs/dbraw/zinc/80/03/31/1136800331.db2.gz AARRIPSJSJITFT-UHFFFAOYSA-N -1 0 338.245 3.719 20 0 EHADRM O=C([N-]OCC1CC1)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC000817368609 1136801407 /nfs/dbraw/zinc/80/14/07/1136801407.db2.gz WYDTUGBQRRTGEL-KRWDZBQOSA-N -1 0 331.799 3.918 20 0 EHADRM O=C(c1n[n-]c2ccccc2c1=O)N1CC2(CCC2)[C@H]1c1ccccc1 ZINC000817564938 1136820033 /nfs/dbraw/zinc/82/00/33/1136820033.db2.gz HAAVLQCVEPXVEF-LJQANCHMSA-N -1 0 345.402 3.703 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCc2c1c(F)ccc2F ZINC000817827549 1136841468 /nfs/dbraw/zinc/84/14/68/1136841468.db2.gz OSRXDYUQAWOBRN-UHFFFAOYSA-N -1 0 332.331 3.598 20 0 EHADRM Cc1ccc(C(C)C)cc1OCC(=O)[N-]OCc1ccc(F)cc1 ZINC000857484618 1136876207 /nfs/dbraw/zinc/87/62/07/1136876207.db2.gz JERJCTFRBBLVLV-UHFFFAOYSA-N -1 0 331.387 3.884 20 0 EHADRM O=C([N-]Cc1cccc(C(F)(F)F)n1)C(F)(F)c1ccccc1F ZINC000857518670 1136879535 /nfs/dbraw/zinc/87/95/35/1136879535.db2.gz LLSMGESPLMLGHY-UHFFFAOYSA-N -1 0 348.246 3.648 20 0 EHADRM CCCCOc1ccc(OC)cc1NC(=O)c1ncc(C)cc1[O-] ZINC001136193075 1136913416 /nfs/dbraw/zinc/91/34/16/1136913416.db2.gz FRUYSZSUZYLDOI-UHFFFAOYSA-N -1 0 330.384 3.535 20 0 EHADRM Cc1noc(C)c1[C@@H](C)NC(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC000819993163 1136971553 /nfs/dbraw/zinc/97/15/53/1136971553.db2.gz UQDOGMWFYWEAMQ-SSDOTTSWSA-N -1 0 330.281 3.539 20 0 EHADRM O=C([N-]Oc1ccccc1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000820044224 1136974791 /nfs/dbraw/zinc/97/47/91/1136974791.db2.gz YUENLKMIZJMPQH-UHFFFAOYSA-N -1 0 339.288 3.986 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])C(C)(C)C1 ZINC000820528639 1136995964 /nfs/dbraw/zinc/99/59/64/1136995964.db2.gz VWMKQJSZNJPZED-GFCCVEGCSA-N -1 0 327.380 3.725 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)C[C@H](C)c2ccccc2C)c1 ZINC000116590931 1137005633 /nfs/dbraw/zinc/00/56/33/1137005633.db2.gz VXNJTYMERIYUOG-INIZCTEOSA-N -1 0 345.464 3.611 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@H](C)c2ccccc2C)cc1C ZINC000116590977 1137005765 /nfs/dbraw/zinc/00/57/65/1137005765.db2.gz UQTFTDOYJNPIRS-INIZCTEOSA-N -1 0 345.464 3.611 20 0 EHADRM CO[C@]12CCC[C@@]1(C(=O)Nc1cc(Cl)cc(Cl)c1[O-])CCO2 ZINC000821474327 1137029035 /nfs/dbraw/zinc/02/90/35/1137029035.db2.gz HWSLLZFUDMHVQB-GJZGRUSLSA-N -1 0 346.210 3.571 20 0 EHADRM Cc1cc(OCC(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)ccc1Cl ZINC000013403638 1137080860 /nfs/dbraw/zinc/08/08/60/1137080860.db2.gz HQGVOSSWTLUMLY-RUDMXATFSA-N -1 0 345.782 3.764 20 0 EHADRM CCCCN(CC(F)(F)F)C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000823233317 1137089876 /nfs/dbraw/zinc/08/98/76/1137089876.db2.gz FMUJGOMUTZUYMG-UHFFFAOYSA-N -1 0 332.347 3.921 20 0 EHADRM C[C@H]1C[C@H](NC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])C[C@@H](C)C1 ZINC001136870514 1137135591 /nfs/dbraw/zinc/13/55/91/1137135591.db2.gz FGDDHUFHROOEFM-IMRBUKKESA-N -1 0 347.846 3.786 20 0 EHADRM Cc1ccc(CNc2cc(C)cc(C[N-]C(=O)C(F)(F)F)c2)o1 ZINC000825011478 1137160201 /nfs/dbraw/zinc/16/02/01/1137160201.db2.gz LKISPVGNACYCJI-UHFFFAOYSA-N -1 0 326.318 3.687 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2cnc(C3CC3)s2)cc1 ZINC000825449671 1137178019 /nfs/dbraw/zinc/17/80/19/1137178019.db2.gz WHSKFQNPDRHIIF-SECBINFHSA-N -1 0 331.397 3.601 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000864099184 1137214798 /nfs/dbraw/zinc/21/47/98/1137214798.db2.gz CZCJSNFVJNEFIP-FXAWDEMLSA-N -1 0 343.467 3.605 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000864099213 1137215042 /nfs/dbraw/zinc/21/50/42/1137215042.db2.gz DVRVADZHPCOPOV-FQEVSTJZSA-N -1 0 331.456 3.605 20 0 EHADRM Cc1ccc(C(=O)NCc2ccccc2OC2CCC2)cc1C(=O)[O-] ZINC000864112114 1137215857 /nfs/dbraw/zinc/21/58/57/1137215857.db2.gz UZTZLZJIESXPDI-UHFFFAOYSA-N -1 0 339.391 3.555 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)/C=C\c1csc(C(F)(F)F)c1 ZINC000864118965 1137215973 /nfs/dbraw/zinc/21/59/73/1137215973.db2.gz RORISLCOBOPVPY-DSYXLKISSA-N -1 0 335.347 3.540 20 0 EHADRM C[C@H](CC(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1)c1ccco1 ZINC000864126037 1137216295 /nfs/dbraw/zinc/21/62/95/1137216295.db2.gz DHGWCNIRFIKDMH-BXUZGUMPSA-N -1 0 335.787 3.759 20 0 EHADRM CC(C)Oc1ccccc1[C@@H](C)NC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000864125329 1137216299 /nfs/dbraw/zinc/21/62/99/1137216299.db2.gz UAWPFNIKKFNZSV-LJTDUEICSA-N -1 0 343.379 3.656 20 0 EHADRM C[C@H](CN(C(=O)/C=C/c1ccc(F)c2ccccc12)C1CC1)C(=O)[O-] ZINC000864131241 1137216515 /nfs/dbraw/zinc/21/65/15/1137216515.db2.gz UPXHNQDGOUSINA-SVTZGKHISA-N -1 0 341.382 3.704 20 0 EHADRM Cc1cc([C@@H](NC(=O)/C=C\c2cc(C(=O)[O-])co2)C2CC2)ccc1F ZINC000864152916 1137217392 /nfs/dbraw/zinc/21/73/92/1137217392.db2.gz SPRSIMJFLYVMHD-YEODSOHDSA-N -1 0 343.354 3.706 20 0 EHADRM Cc1cc2c(CC(=O)N[C@@H]3CCCC[C@@H]3C(=O)[O-])csc2s1 ZINC000864159847 1137217617 /nfs/dbraw/zinc/21/76/17/1137217617.db2.gz MSCOKPWBBNBJGU-WCQYABFASA-N -1 0 337.466 3.573 20 0 EHADRM C/C(=C/c1ccccc1Cl)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC000864174437 1137217907 /nfs/dbraw/zinc/21/79/07/1137217907.db2.gz FSZBLCQCGGQOES-YURAVVLCSA-N -1 0 347.842 3.845 20 0 EHADRM CN(C(=O)c1cc(C(=O)[O-])ccc1Cl)C1CCC(F)(F)CC1 ZINC000864177976 1137217950 /nfs/dbraw/zinc/21/79/50/1137217950.db2.gz UYVWVAMTEVFFBU-UHFFFAOYSA-N -1 0 331.746 3.688 20 0 EHADRM CC(C)(C)c1ccc(SCC(=O)NCc2cc(C(=O)[O-])co2)cc1 ZINC000864192002 1137218527 /nfs/dbraw/zinc/21/85/27/1137218527.db2.gz QJEZFMBGZPKZTG-UHFFFAOYSA-N -1 0 347.436 3.684 20 0 EHADRM C[C@](Cc1ccc(Cl)cc1)(NC(=O)C=C(C1CC1)C1CC1)C(=O)[O-] ZINC000864196782 1137218688 /nfs/dbraw/zinc/21/86/88/1137218688.db2.gz STOXDZWGEFQHDZ-LJQANCHMSA-N -1 0 347.842 3.588 20 0 EHADRM Cc1cc2c(CC(=O)N[C@@](C)(CC(=O)[O-])C3CC3)csc2s1 ZINC000864200523 1137218885 /nfs/dbraw/zinc/21/88/85/1137218885.db2.gz ABXCIJPCDBZJHB-INIZCTEOSA-N -1 0 337.466 3.573 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCC(Cc2ccc(Cl)cc2)CC1 ZINC000864217750 1137219150 /nfs/dbraw/zinc/21/91/50/1137219150.db2.gz PWAYOBYILXWIJK-UHFFFAOYSA-N -1 0 337.847 3.766 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)[C@@H](C)OC2CCCCCC2)c1 ZINC000864229346 1137219285 /nfs/dbraw/zinc/21/92/85/1137219285.db2.gz KGYRYQOADMTNBR-QAPCUYQASA-N -1 0 347.455 3.755 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)[C@H](C)c2cccc(F)c2)c1 ZINC000864229949 1137219358 /nfs/dbraw/zinc/21/93/58/1137219358.db2.gz PAFJJJWTHNBJGG-CXAGYDPISA-N -1 0 329.371 3.570 20 0 EHADRM CC(C)(C)c1csc(CNCc2cc(F)c(C(=O)[O-])c(F)c2)n1 ZINC000864514588 1137231256 /nfs/dbraw/zinc/23/12/56/1137231256.db2.gz WUYMQACVLONEFY-UHFFFAOYSA-N -1 0 340.395 3.707 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C2CC2)cc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000864607498 1137236404 /nfs/dbraw/zinc/23/64/04/1137236404.db2.gz SWDPPVSUPAUSTB-DDTOSNHZSA-N -1 0 348.418 3.960 20 0 EHADRM CC[C@@H](OCCOC(=O)c1c(F)cc([O-])cc1F)c1ccccc1 ZINC000845119497 1137275071 /nfs/dbraw/zinc/27/50/71/1137275071.db2.gz CLURVPKNHBMJFN-MRXNPFEDSA-N -1 0 336.334 3.995 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000846707518 1137361758 /nfs/dbraw/zinc/36/17/58/1137361758.db2.gz WAMROOIVUMUQSG-UHFFFAOYSA-N -1 0 342.439 3.765 20 0 EHADRM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H]2C(=O)Nc1ccccc1[S-] ZINC001146308526 1137388903 /nfs/dbraw/zinc/38/89/03/1137388903.db2.gz ZDSFHBWFVAFZOJ-SGMGOOAPSA-N -1 0 348.468 3.702 20 0 EHADRM COc1cccc([C@@]2(C)CCN(C(=O)c3ccc(Cl)c([O-])c3)C2)c1 ZINC001147427364 1137406005 /nfs/dbraw/zinc/40/60/05/1137406005.db2.gz GSFVSYLUHOMVKX-IBGZPJMESA-N -1 0 345.826 3.858 20 0 EHADRM Cc1nc2cc(NC(=O)c3cccc(C(F)(F)F)c3[O-])ccc2n1C ZINC001148069364 1137417267 /nfs/dbraw/zinc/41/72/67/1137417267.db2.gz MBHGIHLCLYMCHM-UHFFFAOYSA-N -1 0 349.312 3.858 20 0 EHADRM CCOC(=O)CCCCCCCNC(=O)c1ccc([O-])c(Cl)c1 ZINC001148603471 1137428376 /nfs/dbraw/zinc/42/83/76/1137428376.db2.gz LQGHPYNJUUZFEQ-UHFFFAOYSA-N -1 0 341.835 3.679 20 0 EHADRM O=C(Nc1ncnc2sccc21)c1cc(Cl)cc(Cl)c1[O-] ZINC001148805951 1137435337 /nfs/dbraw/zinc/43/53/37/1137435337.db2.gz JKODSXJOQKPDDO-UHFFFAOYSA-N -1 0 340.191 3.956 20 0 EHADRM CCc1oc(C(=O)Nc2ccccc2OC(F)(F)F)cc1C(=O)[O-] ZINC000339087298 1137435374 /nfs/dbraw/zinc/43/53/74/1137435374.db2.gz BQMZICNPQWXVJP-UHFFFAOYSA-N -1 0 343.257 3.691 20 0 EHADRM O=C(Nc1ccc2oc(=O)[nH]c2c1)c1cc(Cl)cc(Cl)c1[O-] ZINC001148811882 1137435545 /nfs/dbraw/zinc/43/55/45/1137435545.db2.gz PYWWBTUSWGQPNY-UHFFFAOYSA-N -1 0 339.134 3.798 20 0 EHADRM CC(C)(C)[C@H]1CCC[C@H]1NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000839892809 1137439348 /nfs/dbraw/zinc/43/93/48/1137439348.db2.gz SVZMKHPFMITGDZ-QWHCGFSZSA-N -1 0 345.468 3.569 20 0 EHADRM Cc1cc([C@H](C)NC(=O)N=c2nc(-c3ccccc3)[n-]s2)c(C)o1 ZINC000339105212 1137500335 /nfs/dbraw/zinc/50/03/35/1137500335.db2.gz LPMIBGFYIMYZMU-NSHDSACASA-N -1 0 342.424 3.720 20 0 EHADRM CC(C)(CNC(=O)c1cccc(Br)c1[O-])C(C)(F)F ZINC001171708442 1137505799 /nfs/dbraw/zinc/50/57/99/1137505799.db2.gz PVZWRZJFIFNYTO-UHFFFAOYSA-N -1 0 336.176 3.566 20 0 EHADRM CC(C)(C)Oc1cccc(NC(=O)c2s[n-]c(=O)c2Cl)c1 ZINC000888558133 1137526969 /nfs/dbraw/zinc/52/69/69/1137526969.db2.gz PEQABZNFOHLCGL-UHFFFAOYSA-N -1 0 326.805 3.932 20 0 EHADRM CCCOc1c(F)cc(F)c(-n2[n-]c(=O)c3ccc(N)cc32)c1F ZINC001212649557 1137544097 /nfs/dbraw/zinc/54/40/97/1137544097.db2.gz LRVITNVVXVWOHZ-UHFFFAOYSA-N -1 0 337.301 3.519 20 0 EHADRM COCCOCc1ccc(CNc2ccc(C)c(C(=O)[O-])c2C)cc1 ZINC000871885655 1137562546 /nfs/dbraw/zinc/56/25/46/1137562546.db2.gz ZONCQQJQVWVHOO-UHFFFAOYSA-N -1 0 343.423 3.777 20 0 EHADRM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cn(C)nc1C(C)(C)C ZINC000872004609 1137564376 /nfs/dbraw/zinc/56/43/76/1137564376.db2.gz SCHRAXAUKXEXQI-UHFFFAOYSA-N -1 0 349.500 3.950 20 0 EHADRM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cncc(C(F)F)c2)cc1 ZINC000872010439 1137564529 /nfs/dbraw/zinc/56/45/29/1137564529.db2.gz RHWYPZGWVGROEB-UHFFFAOYSA-N -1 0 342.367 3.607 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(-c3cccc(F)c3)s2)CC[C@H]1C(=O)[O-] ZINC000872726040 1137583268 /nfs/dbraw/zinc/58/32/68/1137583268.db2.gz ZXRWVHMYAXVNIF-BXUZGUMPSA-N -1 0 347.411 3.737 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N2CC[C@]3(C(=O)[O-])CCC[C@H]23)cc1 ZINC000872767035 1137584147 /nfs/dbraw/zinc/58/41/47/1137584147.db2.gz ICLJSWMEOHPFAD-CFLQYTFWSA-N -1 0 329.440 3.598 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)C(C)(C)SCC(=O)[O-] ZINC000872836833 1137585215 /nfs/dbraw/zinc/58/52/15/1137585215.db2.gz OOWRIAKKVUNRCB-LLVKDONJSA-N -1 0 335.425 3.515 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(-c2ccccc2)cc1F ZINC000872834068 1137585226 /nfs/dbraw/zinc/58/52/26/1137585226.db2.gz CDUGKUCBLXQQQZ-LSDHHAIUSA-N -1 0 327.355 3.932 20 0 EHADRM CC[C@](C)(CC(=O)[O-])C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000872851150 1137585545 /nfs/dbraw/zinc/58/55/45/1137585545.db2.gz QERKJETWNVOBBH-ZUZCIYMTSA-N -1 0 347.333 3.653 20 0 EHADRM CC(C)C[C@@](C)(CC(=O)[O-])C(=O)NCC[C@]1(C)CC1(Cl)Cl ZINC000872871786 1137585865 /nfs/dbraw/zinc/58/58/65/1137585865.db2.gz IINDCBAEGFHEAO-UONOGXRCSA-N -1 0 338.275 3.604 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)C(C)(C)SCC(=O)[O-])CC2 ZINC000872970090 1137587214 /nfs/dbraw/zinc/58/72/14/1137587214.db2.gz DQYNEYDYISRQBQ-OAHLLOKOSA-N -1 0 335.469 3.510 20 0 EHADRM O=C([O-])[C@@H](CC(=O)N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1)c1ccccc1 ZINC000872989238 1137587503 /nfs/dbraw/zinc/58/75/03/1137587503.db2.gz OXAMVRGJOZCIIV-LWYYNNOASA-N -1 0 349.430 3.507 20 0 EHADRM C[C@H](NC(=O)[C@](C)(CC(=O)[O-])c1ccsc1)[C@@]12C[C@@H]1CCCC2 ZINC000872993743 1137587650 /nfs/dbraw/zinc/58/76/50/1137587650.db2.gz GHLVWCOKHKKOHW-RPLLJCPNSA-N -1 0 335.469 3.566 20 0 EHADRM O=C([O-])CN(CCc1ccccc1)Cc1c(Cl)cncc1Cl ZINC000873641265 1137605583 /nfs/dbraw/zinc/60/55/83/1137605583.db2.gz QYSUEOUISSDYJM-UHFFFAOYSA-N -1 0 339.222 3.518 20 0 EHADRM C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000874351766 1137613282 /nfs/dbraw/zinc/61/32/82/1137613282.db2.gz MMLDKFOBCGBGIY-BETUJISGSA-N -1 0 327.380 3.868 20 0 EHADRM C[C@@]1(C(F)(F)F)CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000874477971 1137615021 /nfs/dbraw/zinc/61/50/21/1137615021.db2.gz NKTCNSOYAUCLPJ-GFCCVEGCSA-N -1 0 325.689 3.599 20 0 EHADRM C[C@]1(C(F)(F)F)CCN(C(=O)c2ccc3oc(=S)[n-]c3c2)C1 ZINC000874477470 1137615095 /nfs/dbraw/zinc/61/50/95/1137615095.db2.gz QKBQYAUZMWDLEU-ZDUSSCGKSA-N -1 0 330.331 3.531 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3)o2)cc1 ZINC000874970943 1137627294 /nfs/dbraw/zinc/62/72/94/1137627294.db2.gz IVOYGQPDLBOJLH-UHFFFAOYSA-N -1 0 335.315 3.710 20 0 EHADRM Cc1sc(C(=O)N2CCCC[C@H]2C(=O)[O-])cc1-c1ccc(F)cc1 ZINC000128627920 1137789946 /nfs/dbraw/zinc/78/99/46/1137789946.db2.gz UHQIEJZROCHKEP-HNNXBMFYSA-N -1 0 347.411 3.942 20 0 EHADRM CC(C)(C(=O)[N-]OCCCC(F)(F)F)c1ccc(F)cc1F ZINC000881430142 1137806997 /nfs/dbraw/zinc/80/69/97/1137806997.db2.gz BQZYLBFRHWZGKC-UHFFFAOYSA-N -1 0 325.277 3.633 20 0 EHADRM COc1ccc(-c2cc(C(=O)[N-]c3nc(C(C)C)ns3)no2)cc1 ZINC000881463033 1137807843 /nfs/dbraw/zinc/80/78/43/1137807843.db2.gz FTERXZSCPTVWDU-UHFFFAOYSA-N -1 0 344.396 3.577 20 0 EHADRM O=S(=O)([N-][C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)C1CCC1 ZINC000882132871 1137821863 /nfs/dbraw/zinc/82/18/63/1137821863.db2.gz UUSQORJBYBQARK-NSHDSACASA-N -1 0 345.745 3.554 20 0 EHADRM O=S(=O)([N-]c1ncsc1C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000882770861 1137833925 /nfs/dbraw/zinc/83/39/25/1137833925.db2.gz DSQRLEZGENRZDR-UHFFFAOYSA-N -1 0 348.371 3.840 20 0 EHADRM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c1 ZINC000130499523 1137838855 /nfs/dbraw/zinc/83/88/55/1137838855.db2.gz RWAFPQHORQOLPE-UHFFFAOYSA-N -1 0 348.811 3.825 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N(C)[C@@H]2CCCc3ccccc32)cc1 ZINC000107943650 1137888274 /nfs/dbraw/zinc/88/82/74/1137888274.db2.gz WFMZXNJGYYGHNL-NTKDMRAZSA-N -1 0 341.476 3.639 20 0 EHADRM Cc1ccccc1[C@@H]1CCCN1C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000331551973 1137912277 /nfs/dbraw/zinc/91/22/77/1137912277.db2.gz OJHAREKFYKUCIG-AWEZNQCLSA-N -1 0 344.484 3.935 20 0 EHADRM CCc1ccc([C@@H]2CCCN2C(=O)N=c2[n-]nc(C(C)(C)C)s2)o1 ZINC000331683545 1137917129 /nfs/dbraw/zinc/91/71/29/1137917129.db2.gz WQVSHAJDLXYLOT-LBPRGKRZSA-N -1 0 348.472 3.782 20 0 EHADRM CC(C)(C)[C@H]1CCCN1C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000332107674 1137931873 /nfs/dbraw/zinc/93/18/73/1137931873.db2.gz IGBUUIGRIXWLGE-OAHLLOKOSA-N -1 0 347.846 3.882 20 0 EHADRM CC[C@@H]1CC[C@@H](C)N1C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000332156088 1137933834 /nfs/dbraw/zinc/93/38/34/1137933834.db2.gz UIYFIFNYDOFEON-DGCLKSJQSA-N -1 0 333.819 3.634 20 0 EHADRM O=C(N=c1cc(-c2cc(F)cc(F)c2)[nH][nH]1)C1CCC(F)(F)CC1 ZINC000332639525 1137949913 /nfs/dbraw/zinc/94/99/13/1137949913.db2.gz GAJBOFHVTSKBOR-UHFFFAOYSA-N -1 0 341.308 3.541 20 0 EHADRM CC1(C)CN(C(=O)N=c2[n-]nc(-c3ccsc3)s2)[C@H]2CCC[C@H]21 ZINC000333048937 1137953868 /nfs/dbraw/zinc/95/38/68/1137953868.db2.gz BSBRTONFZMTHOH-NEPJUHHUSA-N -1 0 348.497 3.731 20 0 EHADRM CC1(C)C[C@@H](O)c2cccc(NC(=O)c3cc(F)c([O-])c(F)c3)c2O1 ZINC000885657015 1138015714 /nfs/dbraw/zinc/01/57/14/1138015714.db2.gz PKOXYCCLRKQXFD-CQSZACIVSA-N -1 0 349.333 3.517 20 0 EHADRM Cc1csc(C[C@H]2CCN(C(=O)c3cccc(Cl)c3[O-])C2)n1 ZINC000886228445 1138061041 /nfs/dbraw/zinc/06/10/41/1138061041.db2.gz ZFRBRRQEIRECGT-LLVKDONJSA-N -1 0 336.844 3.515 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)nc1 ZINC000886444843 1138078753 /nfs/dbraw/zinc/07/87/53/1138078753.db2.gz MATVLUYPWWBYHF-UHFFFAOYSA-N -1 0 344.358 3.550 20 0 EHADRM Cc1cc(Br)cc(C)c1NC(=O)CC(C)(C)C(=O)[O-] ZINC000078880870 1138153272 /nfs/dbraw/zinc/15/32/72/1138153272.db2.gz PZOCAPXCDHSTQJ-UHFFFAOYSA-N -1 0 328.206 3.505 20 0 EHADRM CC(C)c1ccccc1NC(=O)CSc1n[n-]c(=S)s1 ZINC000080511182 1138162993 /nfs/dbraw/zinc/16/29/93/1138162993.db2.gz KGMTYGHHNQZHNN-UHFFFAOYSA-N -1 0 325.484 3.681 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(C)c1 ZINC000121700788 1138248961 /nfs/dbraw/zinc/24/89/61/1138248961.db2.gz GTUUDGPVUYQDQY-UHFFFAOYSA-N -1 0 341.454 3.653 20 0 EHADRM O=c1c2c([n-]n1-c1cccc(OC(F)F)c1Br)CCC2 ZINC000887295072 1138258012 /nfs/dbraw/zinc/25/80/12/1138258012.db2.gz WDASETRJUXWMHU-ZETCQYMHSA-N -1 0 345.143 3.553 20 0 EHADRM CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000826565015 1138261543 /nfs/dbraw/zinc/26/15/43/1138261543.db2.gz KWXQIBXZWIGSGY-HPFXQQBRSA-N -1 0 329.440 3.563 20 0 EHADRM Cc1ccc(NC(=O)Nc2c(C)cc(C)cc2S(=O)(=O)[O-])c(C)c1 ZINC001202746595 1138264934 /nfs/dbraw/zinc/26/49/34/1138264934.db2.gz HUVAPEPYSPGVPV-UHFFFAOYSA-N -1 0 348.424 3.811 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc2c(c1)C=CC1(CCC1)O2 ZINC000887323997 1138265888 /nfs/dbraw/zinc/26/58/88/1138265888.db2.gz NWAGYHKKYMSHAW-HZPDHXFCSA-N -1 0 339.391 3.620 20 0 EHADRM C/C=C\C[C@H](NC(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1)C(=O)[O-] ZINC000887382410 1138294126 /nfs/dbraw/zinc/29/41/26/1138294126.db2.gz HGUPQJKKRUNASK-KRURLVKSSA-N -1 0 348.296 3.800 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)Nc2ccc([C@H](F)C(F)(F)F)cc2)C1 ZINC000887394458 1138302830 /nfs/dbraw/zinc/30/28/30/1138302830.db2.gz RUROJKIZMMUXOT-PWSUYJOCSA-N -1 0 348.296 3.588 20 0 EHADRM O=C(c1s[n-]c(=O)c1Cl)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000333945654 1138351934 /nfs/dbraw/zinc/35/19/34/1138351934.db2.gz TVBDYRYLAUECEV-LBPRGKRZSA-N -1 0 348.855 3.912 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N[C@H]2C[C@H]2c2ccccc2)s1 ZINC000336917673 1138427020 /nfs/dbraw/zinc/42/70/20/1138427020.db2.gz DAEUTSVNMIOBBA-KBPBESRZSA-N -1 0 330.457 3.541 20 0 EHADRM O=S(=O)([N-]c1ccc(F)c(C2CC2)c1)c1ccc(F)c(F)c1F ZINC000337129002 1138473892 /nfs/dbraw/zinc/47/38/92/1138473892.db2.gz BDYOMIGENSBIFJ-UHFFFAOYSA-N -1 0 345.317 3.921 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C)cn1 ZINC000350802210 1138543158 /nfs/dbraw/zinc/54/31/58/1138543158.db2.gz NJCJBNUKZSTKER-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@@H](C)c2ccccc2SC)s1 ZINC000337560702 1138606136 /nfs/dbraw/zinc/60/61/36/1138606136.db2.gz VDVAVRAHPNZBNC-JTQLQIEISA-N -1 0 336.486 3.517 20 0 EHADRM O=C([O-])CC1(CC(=O)NCC2CCC(F)(F)CC2)CCCCC1 ZINC000337662272 1138637045 /nfs/dbraw/zinc/63/70/45/1138637045.db2.gz MNAJHTMFURQGNV-UHFFFAOYSA-N -1 0 331.403 3.743 20 0 EHADRM Cc1cccnc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C ZINC000337738339 1138656401 /nfs/dbraw/zinc/65/64/01/1138656401.db2.gz ACMUSYVTYDSUJV-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM CC(C)c1cccnc1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000337779801 1138666083 /nfs/dbraw/zinc/66/60/83/1138666083.db2.gz SESRLPGKBBRSNS-UHFFFAOYSA-N -1 0 327.409 3.554 20 0 EHADRM CCC[C@H](C)C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000265060022 1138715641 /nfs/dbraw/zinc/71/56/41/1138715641.db2.gz SWCVUIWMCALRJU-AWEZNQCLSA-N -1 0 346.452 3.862 20 0 EHADRM CO[C@H](C)c1nc(=NC(=O)C[C@H]2C[C@H](C)c3c2cccc3C)s[n-]1 ZINC000338028956 1138727608 /nfs/dbraw/zinc/72/76/08/1138727608.db2.gz POBOJFNQZPJNLW-YNEHKIRRSA-N -1 0 345.468 3.595 20 0 EHADRM Cc1n[n-]c(=NC(=O)NC[C@H](C)c2c(Cl)cccc2Cl)s1 ZINC000338427617 1138908534 /nfs/dbraw/zinc/90/85/34/1138908534.db2.gz WHOJONJWEAFKJF-ZETCQYMHSA-N -1 0 345.255 3.500 20 0 EHADRM O=C([N-]c1c(F)cc(F)cc1F)c1ncsc1C(F)(F)F ZINC000338525297 1138956311 /nfs/dbraw/zinc/95/63/11/1138956311.db2.gz KLFGLRHTJBBNHJ-UHFFFAOYSA-N -1 0 326.221 3.832 20 0 EHADRM Cc1nc(CC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)c(C)s1 ZINC000152134025 1139075610 /nfs/dbraw/zinc/07/56/10/1139075610.db2.gz XOARGJBEDODEGQ-UHFFFAOYSA-N -1 0 344.358 3.569 20 0 EHADRM CC(C)c1cccc(-c2ccc(C(=O)[N-]N3CCCCC3=O)o2)c1 ZINC000180475502 1139838067 /nfs/dbraw/zinc/83/80/67/1139838067.db2.gz HUNSRMLSEBQRFF-UHFFFAOYSA-N -1 0 326.396 3.727 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N(Cc1ccco1)C1CCCC1 ZINC000183464876 1140040129 /nfs/dbraw/zinc/04/01/29/1140040129.db2.gz NIUVXNWBRAJPOC-UHFFFAOYSA-N -1 0 339.313 3.988 20 0 EHADRM CCCCc1nnc(NC(=O)c2cc(F)c([O-])c(Cl)c2)s1 ZINC000184301534 1140094173 /nfs/dbraw/zinc/09/41/73/1140094173.db2.gz OKWCIVGMOHIZCQ-UHFFFAOYSA-N -1 0 329.784 3.631 20 0 EHADRM Cc1csc(C(C)(C)NC(=O)c2cc(F)c([O-])c(Cl)c2)n1 ZINC000184415650 1140101680 /nfs/dbraw/zinc/10/16/80/1140101680.db2.gz HMJYSMGDLYVUJU-UHFFFAOYSA-N -1 0 328.796 3.615 20 0 EHADRM O=C(c1cc(Cl)cc(Br)c1[O-])N1CCCC2(CC2)C1 ZINC000184513056 1140106639 /nfs/dbraw/zinc/10/66/39/1140106639.db2.gz HKBSWEKIRMEFHO-UHFFFAOYSA-N -1 0 344.636 3.824 20 0 EHADRM C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1cccc(Cl)c1[O-] ZINC000191876854 1140491101 /nfs/dbraw/zinc/49/11/01/1140491101.db2.gz PANSRMNPQTYTIG-VHSXEESVSA-N -1 0 342.823 3.533 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC(c2ccncc2)CC1 ZINC000192685927 1140543998 /nfs/dbraw/zinc/54/39/98/1140543998.db2.gz KJHWJXSZGRTHFA-UHFFFAOYSA-N -1 0 334.778 3.600 20 0 EHADRM Cc1cc(-c2noc([C@@H]([N-]C(=O)C(F)(F)F)C(C)C)n2)ccc1F ZINC000193936238 1140591209 /nfs/dbraw/zinc/59/12/09/1140591209.db2.gz SLHGCSFOPOKOGA-NSHDSACASA-N -1 0 345.296 3.560 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)C2CCC(C(=O)[O-])CC2)C1 ZINC000194419526 1140608401 /nfs/dbraw/zinc/60/84/01/1140608401.db2.gz WOHOXVIEYHKTEE-ZGRYLRDCSA-N -1 0 329.440 3.590 20 0 EHADRM CC[C@@H](NC(=O)C1CCC(C(=O)[O-])CC1)C(C)(C)c1ccccc1 ZINC000194422258 1140608542 /nfs/dbraw/zinc/60/85/42/1140608542.db2.gz KAONGDOFXOEFGR-VMBOVVBDSA-N -1 0 331.456 3.750 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)C2CCC(C(=O)[O-])CC2)c1C ZINC000194422071 1140608999 /nfs/dbraw/zinc/60/89/99/1140608999.db2.gz ISCMJSYVZFXXCJ-HTWSVDAQSA-N -1 0 329.440 3.858 20 0 EHADRM C[C@H]1CCN(C(=O)C2CCC(C(=O)[O-])CC2)[C@@H]1c1cccc(F)c1 ZINC000194433857 1140609859 /nfs/dbraw/zinc/60/98/59/1140609859.db2.gz NWGCAJMWRFDIKV-VWLISTAJSA-N -1 0 333.403 3.626 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@H](c2ccccc2)C2CC2)c(C)c1 ZINC000194496908 1140612260 /nfs/dbraw/zinc/61/22/60/1140612260.db2.gz XCIHKUYGUKTUSG-HYBUGGRVSA-N -1 0 341.476 3.679 20 0 EHADRM C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000194561202 1140614643 /nfs/dbraw/zinc/61/46/43/1140614643.db2.gz CGFJJVVNEIUDRV-BZNIZROVSA-N -1 0 349.789 3.787 20 0 EHADRM Cc1cc(=O)[nH]c([C@H](C)Sc2ncccc2Br)n1 ZINC000268349223 1140923811 /nfs/dbraw/zinc/92/38/11/1140923811.db2.gz QPVMZIUGQURPHL-QMMMGPOBSA-N -1 0 326.219 3.501 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(CC(F)F)C3CC3)n2)cc1 ZINC000268434808 1140938719 /nfs/dbraw/zinc/93/87/19/1140938719.db2.gz NZBZDSWXHJRENM-UHFFFAOYSA-N -1 0 349.381 3.571 20 0 EHADRM O=C([O-])CCCCCCNC(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000268936689 1141029568 /nfs/dbraw/zinc/02/95/68/1141029568.db2.gz OYVVZLGEEKSYFU-AWEZNQCLSA-N -1 0 345.361 3.874 20 0 EHADRM COc1cc(/C=C/c2nc(C(=O)[O-])c(C)s2)cc(Cl)c1OC ZINC000339114574 1141501165 /nfs/dbraw/zinc/50/11/65/1141501165.db2.gz QWTCAXNHKRYETI-SNAWJCMRSA-N -1 0 339.800 3.991 20 0 EHADRM O=C(N[C@H]1CCOC2(CCCCC2)C1)c1cc(F)c([O-])c(Cl)c1 ZINC000274397310 1141515172 /nfs/dbraw/zinc/51/51/72/1141515172.db2.gz CQRMPKQKOYRFHI-LBPRGKRZSA-N -1 0 341.810 3.796 20 0 EHADRM O=C(Nc1ccc2oc(C3CC3)nc2c1)c1s[n-]c(=O)c1Cl ZINC000339249002 1141539441 /nfs/dbraw/zinc/53/94/41/1141539441.db2.gz WDQFLJWXHUGUAN-UHFFFAOYSA-N -1 0 335.772 3.773 20 0 EHADRM CCC(CC)c1nnc(NC(=O)c2s[n-]c(=O)c2Cl)s1 ZINC000283170185 1141566527 /nfs/dbraw/zinc/56/65/27/1141566527.db2.gz XAZNUBPKUOVNFV-UHFFFAOYSA-N -1 0 332.838 3.510 20 0 EHADRM COCCC1(CNC(=O)CC2(C(=O)[O-])CCCCCC2)CCCC1 ZINC000348727781 1141571368 /nfs/dbraw/zinc/57/13/68/1141571368.db2.gz GMTPGPBPJSFWTM-UHFFFAOYSA-N -1 0 339.476 3.515 20 0 EHADRM O=C([O-])c1ccc(Nc2ccccc2I)cc1 ZINC000050913079 214071822 /nfs/dbraw/zinc/07/18/22/214071822.db2.gz SVCWRRDDFBUEHG-UHFFFAOYSA-N -1 0 339.132 3.733 20 0 EHADRM COc1ccc(CNc2ccc(C(=O)[O-])cc2)cc1Br ZINC000037510219 213153156 /nfs/dbraw/zinc/15/31/56/213153156.db2.gz WCBOOWMLFCHFFI-UHFFFAOYSA-N -1 0 336.185 3.768 20 0 EHADRM Cc1cc(Br)cc(C)c1NC(=O)CCCCC(=O)[O-] ZINC000036137052 213072541 /nfs/dbraw/zinc/07/25/41/213072541.db2.gz QYIYWUASMLEUKY-UHFFFAOYSA-N -1 0 328.206 3.649 20 0 EHADRM COc1cccc(/C=C/C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)c1 ZINC000020334781 212120392 /nfs/dbraw/zinc/12/03/92/212120392.db2.gz ZCTVWUIVZGIVCC-CMDGGOBGSA-N -1 0 343.404 3.596 20 0 EHADRM O=C(Nc1ccc(Br)cc1)c1cc(F)c(F)c([O-])c1F ZINC000019836479 212074577 /nfs/dbraw/zinc/07/45/77/212074577.db2.gz GUZUXECUTAPTPI-UHFFFAOYSA-N -1 0 346.102 3.824 20 0 EHADRM O=C([O-])c1cccnc1SCc1ccc(F)cc1Br ZINC000019392299 212023732 /nfs/dbraw/zinc/02/37/32/212023732.db2.gz OVHFLRZLRCPEJC-UHFFFAOYSA-N -1 0 342.189 3.974 20 0 EHADRM O=C([O-])CCCCC(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000037794938 527577919 /nfs/dbraw/zinc/57/79/19/527577919.db2.gz FLWJQSXLLQPOFO-LBPRGKRZSA-N -1 0 327.833 3.638 20 0 EHADRM O=C([O-])c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl ZINC000082160229 563972808 /nfs/dbraw/zinc/97/28/08/563972808.db2.gz CNQOGLFQRUQWHK-UHFFFAOYSA-N -1 0 340.635 3.877 20 0 EHADRM O=C([O-])c1ccc(NCc2csc(Br)c2)cc1F ZINC000397353531 602303102 /nfs/dbraw/zinc/30/31/02/602303102.db2.gz DINPCBACQAXQGE-UHFFFAOYSA-N -1 0 330.178 3.960 20 0 EHADRM C[C@@H](NC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(Cl)c(Cl)c1 ZINC000262907359 596938244 /nfs/dbraw/zinc/93/82/44/596938244.db2.gz DKQWRWKMTILTGJ-SECBINFHSA-N -1 0 345.226 3.561 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1ccc(-c2nccs2)cc1 ZINC000263515630 597013631 /nfs/dbraw/zinc/01/36/31/597013631.db2.gz ZPNFLUPXBLEWDG-UHFFFAOYSA-N -1 0 333.413 3.575 20 0 EHADRM Cc1ccccc1C1(C(=O)N2CCC(C(=O)[O-])CC2)CCCCC1 ZINC000237688233 597019318 /nfs/dbraw/zinc/01/93/18/597019318.db2.gz NWIQXZCIWZQFRJ-UHFFFAOYSA-N -1 0 329.440 3.520 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)CCc2ccc(Cl)cc2Cl)C1 ZINC000314958798 597098104 /nfs/dbraw/zinc/09/81/04/597098104.db2.gz XFSJWHZNDYMHFP-LLVKDONJSA-N -1 0 344.238 3.639 20 0 EHADRM O=C([O-])c1sccc1NS(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000035306422 599873328 /nfs/dbraw/zinc/87/33/28/599873328.db2.gz HVFCWQPRCUTUQT-SOFGYWHQSA-N -1 0 343.813 3.512 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)Nc2ccc(-c3nccs3)cc2)C1 ZINC000562806559 597116189 /nfs/dbraw/zinc/11/61/89/597116189.db2.gz MPHXNXZEGPZEPB-LBPRGKRZSA-N -1 0 345.424 3.529 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000263410777 597230221 /nfs/dbraw/zinc/23/02/21/597230221.db2.gz USYRDTWUMYOVKM-KRWDZBQOSA-N -1 0 342.370 3.571 20 0 EHADRM C[C@@H](c1ncc(C(C)(C)C)o1)[S@](=O)Cc1ccc(C(=O)[O-])cc1 ZINC000818075839 597287547 /nfs/dbraw/zinc/28/75/47/597287547.db2.gz OYNNVWFZLCCYRQ-BSNNYGBQSA-N -1 0 335.425 3.680 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000818885319 597325018 /nfs/dbraw/zinc/32/50/18/597325018.db2.gz INKZOKMLCNIFRG-GOSISDBHSA-N -1 0 338.407 3.991 20 0 EHADRM CCN(Cc1ccccc1C)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818202894 597328077 /nfs/dbraw/zinc/32/80/77/597328077.db2.gz WWCILAYDKZQUAI-UHFFFAOYSA-N -1 0 326.396 3.676 20 0 EHADRM CC(C)(C)[C@H]1CCCN(C(=O)Nc2ccccc2CC(=O)[O-])CC1 ZINC000324726179 597334298 /nfs/dbraw/zinc/33/42/98/597334298.db2.gz ZQQIGDNEGOSIQD-HNNXBMFYSA-N -1 0 332.444 3.994 20 0 EHADRM Cc1cccc(C(C)(C)NC(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000818939355 597335000 /nfs/dbraw/zinc/33/50/00/597335000.db2.gz UJVODZRDHRCJMZ-UHFFFAOYSA-N -1 0 326.396 3.679 20 0 EHADRM C[C@@H](NC(=O)Nc1ccccc1CC(=O)[O-])c1cccc(Cl)c1 ZINC000320198259 597336434 /nfs/dbraw/zinc/33/64/34/597336434.db2.gz VVEGOVWJCYKPQG-LLVKDONJSA-N -1 0 332.787 3.850 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1ccccc1CCC(F)(F)F)C(=O)[O-] ZINC000820443642 597405458 /nfs/dbraw/zinc/40/54/58/597405458.db2.gz MNNXDVXJCWPSFP-GWCFXTLKSA-N -1 0 346.349 3.802 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)CCCc2ccc3ccccc3c2)C1 ZINC000560110829 598184574 /nfs/dbraw/zinc/18/45/74/598184574.db2.gz NDXBHYKGBPKBDA-KRWDZBQOSA-N -1 0 339.435 3.876 20 0 EHADRM Cc1cccc([C@H](NCc2cccc(C(=O)[O-])c2)c2ccccn2)c1 ZINC000821112148 598205136 /nfs/dbraw/zinc/20/51/36/598205136.db2.gz HJFDIHVEIDYVCK-FQEVSTJZSA-N -1 0 332.403 3.967 20 0 EHADRM C[C@H](NC(=O)N1CCC(CC(=O)[O-])CC1)c1cc2ccccc2s1 ZINC000736640927 599701965 /nfs/dbraw/zinc/70/19/65/599701965.db2.gz AGWOIIDJFPZTJL-LBPRGKRZSA-N -1 0 346.452 3.859 20 0 EHADRM COc1c(Cl)cc(NC(=O)[C@@H](CC(C)C)NC(=O)[O-])cc1Cl ZINC000737840109 599703509 /nfs/dbraw/zinc/70/35/09/599703509.db2.gz QZATUNMUSGAHPT-LLVKDONJSA-N -1 0 349.214 3.623 20 0 EHADRM CCCc1c(C(=O)Nc2ccc3c(c2)CCCO3)[nH]c(C)c1C(=O)[O-] ZINC000737044087 599703852 /nfs/dbraw/zinc/70/38/52/599703852.db2.gz PZGCEWQWZBTGGC-UHFFFAOYSA-N -1 0 342.395 3.551 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCOc2ccc(Cl)cc2)c(F)c1 ZINC000739250680 599704434 /nfs/dbraw/zinc/70/44/34/599704434.db2.gz GSYXLVXFEISIBH-UHFFFAOYSA-N -1 0 337.734 3.585 20 0 EHADRM CC[C@@H](C)N(Cc1ccccc1)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000736884630 599704774 /nfs/dbraw/zinc/70/47/74/599704774.db2.gz SYEALEUEUYHOGW-GFCCVEGCSA-N -1 0 328.412 3.771 20 0 EHADRM CCCC[C@H](Sc1nnc(Cc2ccccc2)n1CC)C(=O)[O-] ZINC000736986133 599708776 /nfs/dbraw/zinc/70/87/76/599708776.db2.gz UGJSGPFQUXGJOQ-AWEZNQCLSA-N -1 0 333.457 3.624 20 0 EHADRM CCCC[C@@H](Sc1nnnn1-c1ccc(C(C)C)cc1)C(=O)[O-] ZINC000736984419 599709881 /nfs/dbraw/zinc/70/98/81/599709881.db2.gz HNRTVOWRPXSJGK-CQSZACIVSA-N -1 0 334.445 3.521 20 0 EHADRM COc1ccc(CC[C@H](C)NC(=O)c2ccccc2NC(=O)[O-])cc1 ZINC000737992940 599709941 /nfs/dbraw/zinc/70/99/41/599709941.db2.gz PUDSXDNTZXOBLN-ZDUSSCGKSA-N -1 0 342.395 3.536 20 0 EHADRM CCCC[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1C)C(=O)[O-] ZINC000736986387 599710424 /nfs/dbraw/zinc/71/04/24/599710424.db2.gz VFXQFSAGXPCYCN-GFCCVEGCSA-N -1 0 339.848 3.871 20 0 EHADRM C[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736724650 599713236 /nfs/dbraw/zinc/71/32/36/599713236.db2.gz NJYHCEAMSBCQCU-JTQLQIEISA-N -1 0 332.335 3.536 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)NC2(c3ccccc3)CC2)ccc1F ZINC000740006677 599719544 /nfs/dbraw/zinc/71/95/44/599719544.db2.gz VICYHOPWZVGLJV-UHFFFAOYSA-N -1 0 329.331 3.726 20 0 EHADRM CN(CCCC(=O)N(Cc1ccccc1)Cc1ccccc1)C(=O)[O-] ZINC000737418717 599729767 /nfs/dbraw/zinc/72/97/67/599729767.db2.gz SPVPVGULCVAVRO-UHFFFAOYSA-N -1 0 340.423 3.605 20 0 EHADRM CC(C)Cc1ccc([C@@H](NC(=O)CCCNC(=O)[O-])C2CC2)cc1 ZINC000736454237 599730000 /nfs/dbraw/zinc/73/00/00/599730000.db2.gz SGFTYBQRYSPFON-GOSISDBHSA-N -1 0 332.444 3.500 20 0 EHADRM CC(C)C[C@H](C)N(C(=O)CCCNC(=O)[O-])c1ccc2[nH]ccc2c1 ZINC000736404266 599730008 /nfs/dbraw/zinc/73/00/08/599730008.db2.gz YLGNTJVWYOWGOQ-AWEZNQCLSA-N -1 0 345.443 3.983 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1cc2c3ccccc3n(C)c2s1)C(=O)[O-] ZINC000737235888 599743096 /nfs/dbraw/zinc/74/30/96/599743096.db2.gz NOSONIWHWCMFMI-BONVTDFDSA-N -1 0 344.436 3.622 20 0 EHADRM Cc1nc(CC(C)C)sc1C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000362574273 599745116 /nfs/dbraw/zinc/74/51/16/599745116.db2.gz CDFBREXCLQPHSA-UHFFFAOYSA-N -1 0 346.452 3.620 20 0 EHADRM Cc1nc(CC(C)C)sc1C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000675966539 599745559 /nfs/dbraw/zinc/74/55/59/599745559.db2.gz PFLPRJMMYVZQFY-UHFFFAOYSA-N -1 0 332.425 3.909 20 0 EHADRM O=C([O-])CSCCC(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000739847630 599759224 /nfs/dbraw/zinc/75/92/24/599759224.db2.gz YSHTWXRIBFPQLN-INIZCTEOSA-N -1 0 341.860 3.505 20 0 EHADRM Cc1nc(-c2ccsc2)ccc1C(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000683324043 599764689 /nfs/dbraw/zinc/76/46/89/599764689.db2.gz FDDPFFYRSFXOQZ-CQSZACIVSA-N -1 0 344.436 3.588 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)CCSc2ccccc2)cc1 ZINC000322440040 599766635 /nfs/dbraw/zinc/76/66/35/599766635.db2.gz RPNNDYGJFGSLPI-UHFFFAOYSA-N -1 0 329.421 3.825 20 0 EHADRM C[C@H](CNC(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)C(=O)[O-] ZINC000237480629 599773561 /nfs/dbraw/zinc/77/35/61/599773561.db2.gz FQXQABMIAUXWBQ-MXMFLMJRSA-N -1 0 349.839 3.919 20 0 EHADRM CCCc1c(C(=O)N[C@H](CC)c2nc(C)cs2)[nH]c(C)c1C(=O)[O-] ZINC000737042881 599775983 /nfs/dbraw/zinc/77/59/83/599775983.db2.gz WFWRHQJLYQJWHY-GFCCVEGCSA-N -1 0 349.456 3.620 20 0 EHADRM CSCCc1ccc(NC(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000738147027 599780713 /nfs/dbraw/zinc/78/07/13/599780713.db2.gz QDGSPJLUDANYNT-UHFFFAOYSA-N -1 0 344.436 3.612 20 0 EHADRM O=C([O-])c1ccoc1CN1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000740248623 599796237 /nfs/dbraw/zinc/79/62/37/599796237.db2.gz FYTRQPHOIHEMPR-UHFFFAOYSA-N -1 0 330.771 3.671 20 0 EHADRM Cc1ccc2[nH]c3c(c2c1)CN([C@H](C(=O)[O-])c1ccc(F)cc1)CC3 ZINC000738667840 599796298 /nfs/dbraw/zinc/79/62/98/599796298.db2.gz UQPACTJQMJQILB-IBGZPJMESA-N -1 0 338.382 3.799 20 0 EHADRM Cc1nc(CN2CCCc3c(C(=O)[O-])cccc32)nc2ccccc12 ZINC000738858443 599803723 /nfs/dbraw/zinc/80/37/23/599803723.db2.gz RYQQIKGLGQOIAX-UHFFFAOYSA-N -1 0 333.391 3.589 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)C[C@@H]2CCCc3ccccc32)cc1 ZINC000262595442 599816082 /nfs/dbraw/zinc/81/60/82/599816082.db2.gz WNQCZCQRLANGQC-HNNXBMFYSA-N -1 0 339.391 3.599 20 0 EHADRM CCC1(C)CCN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC000389911735 599816754 /nfs/dbraw/zinc/81/67/54/599816754.db2.gz AZQRHADFTXQGRY-UHFFFAOYSA-N -1 0 326.343 3.707 20 0 EHADRM Cc1ccccc1OCCCNC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000738783969 599818480 /nfs/dbraw/zinc/81/84/80/599818480.db2.gz FTIGQRCDBXFVNV-UHFFFAOYSA-N -1 0 342.395 3.592 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)c1nccc2ccccc21)C(=O)[O-] ZINC000190672114 599818664 /nfs/dbraw/zinc/81/86/64/599818664.db2.gz ZZCYHZNFUHDWBF-OAHLLOKOSA-N -1 0 348.402 3.598 20 0 EHADRM CCCN(CC)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000737018162 599819547 /nfs/dbraw/zinc/81/95/47/599819547.db2.gz KAVKIOQAGFNCCY-UHFFFAOYSA-N -1 0 348.321 3.590 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(CC(=O)[O-])cc1)C(C)(C)c1ccccc1 ZINC000736648867 599819575 /nfs/dbraw/zinc/81/95/75/599819575.db2.gz MBTRMOVIZVYVOQ-CQSZACIVSA-N -1 0 340.423 3.802 20 0 EHADRM Cc1ccc(CN(C)C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)s1 ZINC000738283601 599820017 /nfs/dbraw/zinc/82/00/17/599820017.db2.gz XKYVSTJLDIWCMZ-UHFFFAOYSA-N -1 0 333.413 3.835 20 0 EHADRM Cc1cc(NC(=O)NCc2nc(C(C)(C)C)cs2)ccc1C(=O)[O-] ZINC000738444692 599821594 /nfs/dbraw/zinc/82/15/94/599821594.db2.gz TZEJPNOBJKPVCG-UHFFFAOYSA-N -1 0 347.440 3.769 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Nc1cc(F)c(F)cc1F)c1cccs1 ZINC000739627072 599823001 /nfs/dbraw/zinc/82/30/01/599823001.db2.gz CYDBOSPKZMSYLP-NSHDSACASA-N -1 0 344.314 3.503 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)NCc2cc3ccccc3o2)cc1 ZINC000739759505 599824301 /nfs/dbraw/zinc/82/43/01/599824301.db2.gz CJYWBCCFKPPURV-UHFFFAOYSA-N -1 0 338.363 3.772 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000325421875 599824689 /nfs/dbraw/zinc/82/46/89/599824689.db2.gz XCFNGLIBEZRALN-AWEZNQCLSA-N -1 0 326.396 3.895 20 0 EHADRM O=C([O-])c1ccccc1C(=O)OCc1csc(-c2cccs2)n1 ZINC000740239554 599829092 /nfs/dbraw/zinc/82/90/92/599829092.db2.gz HMSBRFTWLYOZDQ-UHFFFAOYSA-N -1 0 345.401 3.927 20 0 EHADRM CN(CCCC(=O)Oc1ccccc1SC(F)(F)F)C(=O)[O-] ZINC000737438366 599841548 /nfs/dbraw/zinc/84/15/48/599841548.db2.gz MVDVBSPDVFQQNR-UHFFFAOYSA-N -1 0 337.319 3.594 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)/C=C\c1ccc(Cl)s1 ZINC000208792117 599844488 /nfs/dbraw/zinc/84/44/88/599844488.db2.gz LNWSTCMJADCKSV-ALCCZGGFSA-N -1 0 325.748 3.891 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)CCCc1c[nH]c2ccccc12 ZINC000327267791 599847450 /nfs/dbraw/zinc/84/74/50/599847450.db2.gz FQJCJVOUDPPZIM-UHFFFAOYSA-N -1 0 340.354 3.967 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2sccc2C)cc1 ZINC000237355783 599848525 /nfs/dbraw/zinc/84/85/25/599848525.db2.gz XJHGKSPQXBFYBM-CYBMUJFWSA-N -1 0 335.450 3.724 20 0 EHADRM O=C([O-])c1c(F)cccc1NCC(=O)Nc1ccc2ccccc2c1 ZINC000739307994 599856921 /nfs/dbraw/zinc/85/69/21/599856921.db2.gz GVTNWHMTTPMMFR-UHFFFAOYSA-N -1 0 338.338 3.728 20 0 EHADRM Cc1cc(Cl)ccc1NC(=O)CNc1ccc(CCC(=O)[O-])cc1 ZINC000738400184 599857672 /nfs/dbraw/zinc/85/76/72/599857672.db2.gz ZVLVYPNADVLSIJ-UHFFFAOYSA-N -1 0 346.814 3.716 20 0 EHADRM C[C@@H](Cc1nc(-c2cc(C(=O)[O-])co2)cs1)n1cc(Cl)cn1 ZINC000736628356 599858679 /nfs/dbraw/zinc/85/86/79/599858679.db2.gz CGHZFBINYNGULE-QMMMGPOBSA-N -1 0 337.788 3.755 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)CCc1cccs1 ZINC000676018239 599869041 /nfs/dbraw/zinc/86/90/41/599869041.db2.gz DBOIMZIMRJIGKW-UHFFFAOYSA-N -1 0 345.445 3.910 20 0 EHADRM O=C([O-])[C@H](OC(=O)Cc1ccccc1C(F)(F)F)c1ccccc1 ZINC000739345797 599871220 /nfs/dbraw/zinc/87/12/20/599871220.db2.gz RBAMCRMSCVASNA-OAHLLOKOSA-N -1 0 338.281 3.617 20 0 EHADRM C[C@H](OC(=O)CCCN(C)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000736687965 599871738 /nfs/dbraw/zinc/87/17/38/599871738.db2.gz YEYXXZPGZSSOPJ-JTQLQIEISA-N -1 0 333.306 3.700 20 0 EHADRM Cc1ccc(CC(=O)NCc2c3ccccc3sc2C(=O)[O-])s1 ZINC000676018563 599873271 /nfs/dbraw/zinc/87/32/71/599873271.db2.gz LOSQAXKUZOLGOB-UHFFFAOYSA-N -1 0 345.445 3.828 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)c1cccc(F)c1 ZINC000676019537 599873258 /nfs/dbraw/zinc/87/32/58/599873258.db2.gz YWLWBMIYRKAXKC-UHFFFAOYSA-N -1 0 329.352 3.669 20 0 EHADRM Cc1sc(NC(=O)N2CCC[C@@H]2c2cccn2C)c(C(=O)[O-])c1C ZINC000738998115 599881056 /nfs/dbraw/zinc/88/10/56/599881056.db2.gz XYJVXFNKVPBHRM-CYBMUJFWSA-N -1 0 347.440 3.771 20 0 EHADRM CCC[C@@H]1CCCC[C@H]1NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000736974592 599881591 /nfs/dbraw/zinc/88/15/91/599881591.db2.gz NQHPXCZNWJSQKW-NVXWUHKLSA-N -1 0 332.444 3.885 20 0 EHADRM O=C([O-])CCCCNC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000666557943 599881770 /nfs/dbraw/zinc/88/17/70/599881770.db2.gz DZAMVMFPSUIBQY-KRWDZBQOSA-N -1 0 343.427 3.659 20 0 EHADRM CCC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000736971418 599886274 /nfs/dbraw/zinc/88/62/74/599886274.db2.gz BKNUEVIZOHQIQC-CZUORRHYSA-N -1 0 334.416 3.630 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000736373334 599892379 /nfs/dbraw/zinc/89/23/79/599892379.db2.gz AHBXZIXEOMJZDR-HNNXBMFYSA-N -1 0 336.457 3.952 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000236735116 599894288 /nfs/dbraw/zinc/89/42/88/599894288.db2.gz ACGQIUDEEDRPMH-OALUTQOASA-N -1 0 339.435 3.903 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000679400384 599895369 /nfs/dbraw/zinc/89/53/69/599895369.db2.gz NFDYQECWXGJCOL-OTWHNJEPSA-N -1 0 337.419 3.799 20 0 EHADRM COc1ccc(CN(C(=O)c2cccc(NC(=O)[O-])c2)C2CC2)cc1 ZINC000737991827 599898294 /nfs/dbraw/zinc/89/82/94/599898294.db2.gz XALALHUWKFYILC-UHFFFAOYSA-N -1 0 340.379 3.590 20 0 EHADRM O=C([O-])C1CCC(NC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)CC1 ZINC000238074738 599899095 /nfs/dbraw/zinc/89/90/95/599899095.db2.gz ONFOQGZSPPDMJY-CTVCJKGISA-N -1 0 337.419 3.703 20 0 EHADRM CC(C)[C@H](CC(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000236646179 599899615 /nfs/dbraw/zinc/89/96/15/599899615.db2.gz VNRVBGAIJAYJTD-IBGZPJMESA-N -1 0 339.435 3.873 20 0 EHADRM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736717184 599899800 /nfs/dbraw/zinc/89/98/00/599899800.db2.gz LWHCXFQGBHKIHE-JTQLQIEISA-N -1 0 334.322 3.888 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2ccc(N3CCCC3)c(F)c2)c1 ZINC000740033285 599908020 /nfs/dbraw/zinc/90/80/20/599908020.db2.gz JTSBNFBSJXSSRT-UHFFFAOYSA-N -1 0 343.358 3.768 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCc1nc(-c2ccsc2)oc1C ZINC000737863720 599908351 /nfs/dbraw/zinc/90/83/51/599908351.db2.gz PSHMVYVJUUHLQL-UHFFFAOYSA-N -1 0 345.376 3.997 20 0 EHADRM O=Cc1cc(C(=O)[O-])ccc1OCc1coc(-c2cccc(F)c2)n1 ZINC000740318460 599910040 /nfs/dbraw/zinc/91/00/40/599910040.db2.gz ZOHUIDCOHXXPND-UHFFFAOYSA-N -1 0 341.294 3.570 20 0 EHADRM CC(C)(CNC(=O)c1cccc(NC(=O)[O-])c1)c1ccccc1F ZINC000736323771 599911172 /nfs/dbraw/zinc/91/11/72/599911172.db2.gz KMXBVCIPACUKRG-UHFFFAOYSA-N -1 0 330.359 3.623 20 0 EHADRM Cc1c(NC(=O)c2cn(C)nc2C2CCCCC2)cccc1C(=O)[O-] ZINC000738306657 599913188 /nfs/dbraw/zinc/91/31/88/599913188.db2.gz YLLZNKBPCYERET-UHFFFAOYSA-N -1 0 341.411 3.727 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1 ZINC000485671438 599913658 /nfs/dbraw/zinc/91/36/58/599913658.db2.gz YHBRMKACCMIHAW-ZIAGYGMSSA-N -1 0 333.746 3.805 20 0 EHADRM COc1ccc(CCCC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000237203340 599914569 /nfs/dbraw/zinc/91/45/69/599914569.db2.gz IHWODKGCBDLFQY-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM Cc1cc(NC(=O)CCCOCCc2ccccc2)ccc1C(=O)[O-] ZINC000237698781 599915194 /nfs/dbraw/zinc/91/51/94/599915194.db2.gz DHVPXUZMOQIFTH-UHFFFAOYSA-N -1 0 341.407 3.671 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000236972055 599915376 /nfs/dbraw/zinc/91/53/76/599915376.db2.gz PDTGLFKGRHTIKV-LSZYVWPRSA-N -1 0 325.408 3.559 20 0 EHADRM Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000237843521 599916298 /nfs/dbraw/zinc/91/62/98/599916298.db2.gz OEJGNYCSMIIMAQ-UHFFFAOYSA-N -1 0 342.376 3.970 20 0 EHADRM Cc1cc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)ccc1C(=O)[O-] ZINC000237662923 599917574 /nfs/dbraw/zinc/91/75/74/599917574.db2.gz UYDBWIFWEQVXIW-NSHDSACASA-N -1 0 333.771 3.753 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2ccc(C(=O)[O-])c(C)c2)s1 ZINC000738503481 599917593 /nfs/dbraw/zinc/91/75/93/599917593.db2.gz PMBOZZJVOLBBIY-UHFFFAOYSA-N -1 0 331.393 3.665 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)sc1C ZINC000237795061 599922783 /nfs/dbraw/zinc/92/27/83/599922783.db2.gz KKSMJKMIGSVOFL-UHFFFAOYSA-N -1 0 335.450 3.935 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)s1 ZINC000736192139 599922855 /nfs/dbraw/zinc/92/28/55/599922855.db2.gz JMQDHAXULOUAFK-UHFFFAOYSA-N -1 0 349.433 3.521 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)[C@H](CC)Oc1ccccc1C(C)C)C(=O)[O-] ZINC000736929546 599926822 /nfs/dbraw/zinc/92/68/22/599926822.db2.gz QTCKPKKBEBVLKT-JLJPHGGASA-N -1 0 335.444 3.583 20 0 EHADRM Cc1ccc(NC(=S)N[C@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000738627674 599927269 /nfs/dbraw/zinc/92/72/69/599927269.db2.gz IZALDHJHPBTIOA-MRXNPFEDSA-N -1 0 328.437 3.888 20 0 EHADRM O=C([O-])CC[C@H](NC(=S)Nc1ccc(F)cc1)c1ccccc1 ZINC000739662423 599927329 /nfs/dbraw/zinc/92/73/29/599927329.db2.gz FEUYOHUQQHXFKH-HNNXBMFYSA-N -1 0 332.400 3.718 20 0 EHADRM Cc1ccc(S[C@H](C(=O)N[C@@H](C)C(=O)[O-])c2ccccc2)c(C)c1 ZINC000237441499 599927763 /nfs/dbraw/zinc/92/77/63/599927763.db2.gz SGASAZRCBSTUIX-YOEHRIQHSA-N -1 0 343.448 3.726 20 0 EHADRM C[C@H](NC(=O)[C@H](Sc1ccccc1Cl)c1ccccc1)C(=O)[O-] ZINC000237510949 599927791 /nfs/dbraw/zinc/92/77/91/599927791.db2.gz WQEKMVIOOUVWPL-XHDPSFHLSA-N -1 0 349.839 3.763 20 0 EHADRM CCC[C@@](C)(NC(=O)[C@@H](CC)Oc1ccccc1C(C)C)C(=O)[O-] ZINC000736955064 599928436 /nfs/dbraw/zinc/92/84/36/599928436.db2.gz YMKFCRYFLNWXTI-DNVCBOLYSA-N -1 0 335.444 3.727 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)C1(C)C ZINC000675980770 599935549 /nfs/dbraw/zinc/93/55/49/599935549.db2.gz BUCKTYHCRPHHQX-RYRKJORJSA-N -1 0 329.440 3.947 20 0 EHADRM O=Cc1ccc(C(=O)OCc2c3ccccc3sc2C(=O)[O-])cc1 ZINC000740319128 599945038 /nfs/dbraw/zinc/94/50/38/599945038.db2.gz TZXKXYAGQXQCFN-UHFFFAOYSA-N -1 0 340.356 3.769 20 0 EHADRM Cc1ccc(CC(=O)OCc2c3ccccc3sc2C(=O)[O-])cn1 ZINC000738585378 599945294 /nfs/dbraw/zinc/94/52/94/599945294.db2.gz YATNHOGBWRVKGP-UHFFFAOYSA-N -1 0 341.388 3.589 20 0 EHADRM Cn1cc(C(=O)OCc2ccc(C(=O)[O-])cc2)c(C2CCCCC2)n1 ZINC000739027145 599946539 /nfs/dbraw/zinc/94/65/39/599946539.db2.gz OTDXJVSQLWELCK-UHFFFAOYSA-N -1 0 342.395 3.523 20 0 EHADRM O=C([O-])c1cccc(NC(=O)CCc2ccc3ccccc3c2)c1O ZINC000739260050 599946775 /nfs/dbraw/zinc/94/67/75/599946775.db2.gz AVJKGTOAKZAJIR-UHFFFAOYSA-N -1 0 335.359 3.815 20 0 EHADRM Cc1cc(NC(=O)c2cccn2Cc2cccs2)ccc1C(=O)[O-] ZINC000178232819 599948398 /nfs/dbraw/zinc/94/83/98/599948398.db2.gz UZKIQYASIWEXDL-UHFFFAOYSA-N -1 0 340.404 3.857 20 0 EHADRM CCCCN(Cc1ccccc1Cl)C(=O)NCCCC(=O)[O-] ZINC000263503049 599953187 /nfs/dbraw/zinc/95/31/87/599953187.db2.gz WEJLBAXQKGGKEV-UHFFFAOYSA-N -1 0 326.824 3.517 20 0 EHADRM CC(C)c1cccc(NC(=O)NCCOc2ccc(C(=O)[O-])cc2)c1 ZINC000736520460 599953654 /nfs/dbraw/zinc/95/36/54/599953654.db2.gz HQIRZXYFIOFTKZ-UHFFFAOYSA-N -1 0 342.395 3.709 20 0 EHADRM CC[C@H](Nc1ccccc1)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000736925667 599954472 /nfs/dbraw/zinc/95/44/72/599954472.db2.gz WEULNRWIQQPWAN-INIZCTEOSA-N -1 0 327.384 3.630 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)Nc2ccc(CC(=O)[O-])cc2)c(C)c1 ZINC000738588369 599956536 /nfs/dbraw/zinc/95/65/36/599956536.db2.gz DNEGSXRNKZHFCZ-HNNXBMFYSA-N -1 0 340.423 3.683 20 0 EHADRM O=C([O-])CSCc1cccc(Nc2nccc(C(F)(F)F)n2)c1 ZINC000739874613 599960202 /nfs/dbraw/zinc/96/02/02/599960202.db2.gz UBMRTMZJFJIDLJ-UHFFFAOYSA-N -1 0 343.330 3.557 20 0 EHADRM O=C([O-])c1cccc(OCc2coc(-c3ccc(F)c(F)c3)n2)c1 ZINC000740232736 599960550 /nfs/dbraw/zinc/96/05/50/599960550.db2.gz USLACZJZRUOLDI-UHFFFAOYSA-N -1 0 331.274 3.897 20 0 EHADRM CC(C)COc1ccccc1C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000736447638 599971173 /nfs/dbraw/zinc/97/11/73/599971173.db2.gz DGWZQAAGVFOPJH-UHFFFAOYSA-N -1 0 339.391 3.623 20 0 EHADRM Cc1cnc(-c2cccc(NC(=O)c3ccc(C(=O)[O-])s3)c2)o1 ZINC000237905423 599976252 /nfs/dbraw/zinc/97/62/52/599976252.db2.gz URTLCZQRDIINAE-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2c[nH]c3cc(Cl)ccc23)cc1 ZINC000739880219 599997273 /nfs/dbraw/zinc/99/72/73/599997273.db2.gz YCCWYZKZZGBFNE-UHFFFAOYSA-N -1 0 328.755 3.701 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2ccc(COC(C)C)cc2)c1 ZINC000327364453 599998586 /nfs/dbraw/zinc/99/85/86/599998586.db2.gz JNPKEBLUJGCCHS-UHFFFAOYSA-N -1 0 343.379 3.571 20 0 EHADRM COc1ccc(Cl)cc1COC(=O)c1cccc(NC(=O)[O-])c1 ZINC000738013516 599999173 /nfs/dbraw/zinc/99/91/73/599999173.db2.gz KBJQVSGNRHBIFV-UHFFFAOYSA-N -1 0 335.743 3.796 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)CC(C)(C)c2ccccc2)c1 ZINC000737934988 600002568 /nfs/dbraw/zinc/00/25/68/600002568.db2.gz LWWGQCWPBXJOIU-UHFFFAOYSA-N -1 0 327.380 3.700 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cc3c(s2)CCCC3)c1 ZINC000321836051 600002951 /nfs/dbraw/zinc/00/29/51/600002951.db2.gz HHDPTRPSRDRESO-UHFFFAOYSA-N -1 0 331.393 3.586 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cc(C)nc3ccccc32)c1 ZINC000327529751 600003335 /nfs/dbraw/zinc/00/33/35/600003335.db2.gz SNABRDYYXSHJAL-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM CCC[C@](C)(NC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000736954489 600008207 /nfs/dbraw/zinc/00/82/07/600008207.db2.gz LOHPKOCTXQQNPM-VFZGTOFNSA-N -1 0 348.226 3.520 20 0 EHADRM Cc1cc(NC(=O)N(C)C[C@@H](C)c2ccccc2)ccc1C(=O)[O-] ZINC000738437050 600011981 /nfs/dbraw/zinc/01/19/81/600011981.db2.gz BHUHEOAQHMOKKR-CQSZACIVSA-N -1 0 326.396 3.961 20 0 EHADRM C[C@H](NC(=O)NC1CCC(C(=O)[O-])CC1)C12CC3CC(CC(C3)C1)C2 ZINC000326493953 600012351 /nfs/dbraw/zinc/01/23/51/600012351.db2.gz NQNDDJWFIBXOHU-KHWDYSKJSA-N -1 0 348.487 3.534 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)N[C@@H]1CC[C@H]3CCCC[C@H]3C1)C2 ZINC000740201787 600014476 /nfs/dbraw/zinc/01/44/76/600014476.db2.gz AXECLULICFBXCL-QWQRMKEZSA-N -1 0 342.439 3.769 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)Cc2c[nH]c3cc(Cl)ccc23)c1 ZINC000739887907 600023194 /nfs/dbraw/zinc/02/31/94/600023194.db2.gz GKBZJTXFQWRCFN-UHFFFAOYSA-N -1 0 343.766 3.597 20 0 EHADRM CC(C)[C@H]1CCC[C@H](NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)C1 ZINC000736394107 600023352 /nfs/dbraw/zinc/02/33/52/600023352.db2.gz FXMPNANAUBAXST-GUYCJALGSA-N -1 0 330.428 3.625 20 0 EHADRM Cc1cccc(C2(NC(=O)NC3CCC(C(=O)[O-])CC3)CCCC2)c1 ZINC000738309429 600024180 /nfs/dbraw/zinc/02/41/80/600024180.db2.gz YOBNOYWIWDZAQM-UHFFFAOYSA-N -1 0 344.455 3.707 20 0 EHADRM COc1ccc2oc(C)c(C(=O)Oc3cccc(CC(=O)[O-])c3)c2c1 ZINC000738079395 600027326 /nfs/dbraw/zinc/02/73/26/600027326.db2.gz OBQVQRQKJLNPHT-UHFFFAOYSA-N -1 0 340.331 3.596 20 0 EHADRM O=C([O-])C1CCC(NC(=O)Nc2ccccc2SC(F)F)CC1 ZINC000261764708 600027953 /nfs/dbraw/zinc/02/79/53/600027953.db2.gz QDJTYLNKQVXTCF-UHFFFAOYSA-N -1 0 344.383 3.766 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)Cc2csc3ccccc23)c1 ZINC000739888450 600029079 /nfs/dbraw/zinc/02/90/79/600029079.db2.gz MCTWPJDDTHXMEA-UHFFFAOYSA-N -1 0 326.373 3.677 20 0 EHADRM C[C@H](c1cc2ccccc2o1)N(C)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263503875 600030772 /nfs/dbraw/zinc/03/07/72/600030772.db2.gz WKPJIDQSYRWBIX-DNOWBOINSA-N -1 0 344.411 3.779 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Oc2cccc(C(F)(F)F)c2)cc1 ZINC000739261616 600033751 /nfs/dbraw/zinc/03/37/51/600033751.db2.gz VXNUQDWHLZGCJX-UHFFFAOYSA-N -1 0 338.281 3.942 20 0 EHADRM O=C([O-])C1CCC(NC(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000739563810 600034487 /nfs/dbraw/zinc/03/44/87/600034487.db2.gz OKZLUTPMDKCMCR-UHFFFAOYSA-N -1 0 346.374 3.635 20 0 EHADRM C[C@@H]1c2ccsc2CCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000262680955 600035818 /nfs/dbraw/zinc/03/58/18/600035818.db2.gz ZTZMUDFQEBQFTE-GFCCVEGCSA-N -1 0 329.421 3.525 20 0 EHADRM CC(C)COc1ccc(CC(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000236671262 600036191 /nfs/dbraw/zinc/03/61/91/600036191.db2.gz CZMZWWXWYSQIHB-UHFFFAOYSA-N -1 0 345.370 3.740 20 0 EHADRM C[C@H](c1c(F)cccc1F)N(C)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000736714857 600037924 /nfs/dbraw/zinc/03/79/24/600037924.db2.gz JRHZSYYZTSJNEN-GFCCVEGCSA-N -1 0 347.361 3.815 20 0 EHADRM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000738096139 600040490 /nfs/dbraw/zinc/04/04/90/600040490.db2.gz NGJGJBAEQPNAGD-KBPBESRZSA-N -1 0 344.342 3.666 20 0 EHADRM CCN(CC(=O)[O-])C(=O)c1ccc(-c2ccc(Cl)cc2)cc1F ZINC000737075892 600040680 /nfs/dbraw/zinc/04/06/80/600040680.db2.gz INIWXQMHUFDJQI-UHFFFAOYSA-N -1 0 335.762 3.693 20 0 EHADRM CC(C)(CCNC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000736319908 600041125 /nfs/dbraw/zinc/04/11/25/600041125.db2.gz BJMPQURKYDFHHH-UHFFFAOYSA-N -1 0 339.435 3.802 20 0 EHADRM CC(C)OCc1ccc(NC(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000630289476 600041433 /nfs/dbraw/zinc/04/14/33/600041433.db2.gz DCXCRTLOEHWQMY-UHFFFAOYSA-N -1 0 341.407 3.881 20 0 EHADRM CC[C@@](C)(NC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000736862071 600044781 /nfs/dbraw/zinc/04/47/81/600044781.db2.gz WZTUMBMMPIFJTB-HXUWFJFHSA-N -1 0 325.408 3.759 20 0 EHADRM COc1ccc([C@H](C)OC(=O)c2ccc(C(=O)[O-])cc2)cc1Cl ZINC000737950585 600057182 /nfs/dbraw/zinc/05/71/82/600057182.db2.gz RRFAWCUATRIDJX-JTQLQIEISA-N -1 0 334.755 3.965 20 0 EHADRM C/C(=C\C(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1Cl ZINC000736121416 600057760 /nfs/dbraw/zinc/05/77/60/600057760.db2.gz QBXUEBOINQEGKW-ZRDIBKRKSA-N -1 0 329.783 3.758 20 0 EHADRM C[C@@H]1CC(=O)c2c1c(F)ccc2OCc1ccc(F)cc1C(=O)[O-] ZINC000736749194 600058453 /nfs/dbraw/zinc/05/84/53/600058453.db2.gz INMNJDBHMQOVJJ-SECBINFHSA-N -1 0 332.302 3.932 20 0 EHADRM O=C([O-])CCCNC(=O)c1ccc(-c2ccc(Cl)cc2)cc1F ZINC000738576627 600058459 /nfs/dbraw/zinc/05/84/59/600058459.db2.gz NRGBGCOHFVQTRZ-UHFFFAOYSA-N -1 0 335.762 3.741 20 0 EHADRM CC(C)(C)CCCC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000736251870 600062363 /nfs/dbraw/zinc/06/23/63/600062363.db2.gz STITYJOUUCAKDX-UHFFFAOYSA-N -1 0 325.836 3.970 20 0 EHADRM Cc1cccc2[nH]cc(CC(=O)Nc3ccc(N(C)C(=O)[O-])cc3)c21 ZINC000738310560 600062836 /nfs/dbraw/zinc/06/28/36/600062836.db2.gz GNSQAXIDUSKJAL-UHFFFAOYSA-N -1 0 337.379 3.772 20 0 EHADRM CC(C)c1ccc([C@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])c2cccs2)cc1 ZINC000485658286 600062965 /nfs/dbraw/zinc/06/29/65/600062965.db2.gz CCYRQZFWIIBEBY-ZOBUZTSGSA-N -1 0 343.448 3.798 20 0 EHADRM CC(C)(C)CCCC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000236599159 600071189 /nfs/dbraw/zinc/07/11/89/600071189.db2.gz LBJUQZIKOFCUCB-UHFFFAOYSA-N -1 0 342.439 3.967 20 0 EHADRM Cc1ccc2c(CNc3cc(C(=O)[O-])ccc3F)cc(=O)oc2c1 ZINC000738666066 600076388 /nfs/dbraw/zinc/07/63/88/600076388.db2.gz ROIBDJDDIFYDAC-UHFFFAOYSA-N -1 0 327.311 3.551 20 0 EHADRM Cc1ccc(-c2cnn(CN3Cc4ccc(C(=O)[O-])cc4C3)c2)cc1 ZINC000738487837 600077064 /nfs/dbraw/zinc/07/70/64/600077064.db2.gz FODCNFFBUBITHD-UHFFFAOYSA-N -1 0 333.391 3.530 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ccccc1Oc1ccc(Cl)cc1 ZINC000739552674 600077380 /nfs/dbraw/zinc/07/73/80/600077380.db2.gz JQNMENZZYFMYCU-CHWSQXEVSA-N -1 0 331.755 3.792 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OCc1cn2cc(Cl)ccc2n1 ZINC000314983845 600080269 /nfs/dbraw/zinc/08/02/69/600080269.db2.gz PIYRXBSRGLXTFN-UHFFFAOYSA-N -1 0 337.162 3.918 20 0 EHADRM Cc1oc(CSCc2noc(Cc3ccccc3)n2)cc1C(=O)[O-] ZINC000738975784 600085177 /nfs/dbraw/zinc/08/51/77/600085177.db2.gz MKPWLHXWJPPSPU-UHFFFAOYSA-N -1 0 344.392 3.693 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)CCCOCc2ccccc2)ccc1F ZINC000740004897 600086506 /nfs/dbraw/zinc/08/65/06/600086506.db2.gz ADHMZWZWAKTYJH-UHFFFAOYSA-N -1 0 346.358 3.851 20 0 EHADRM COc1ccccc1C(C)=CC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000738120789 600086606 /nfs/dbraw/zinc/08/66/06/600086606.db2.gz MZEMQQTVWCQLMD-LUAWRHEFSA-N -1 0 344.342 3.966 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2cc(-c3ccccc3)no2)ccc1F ZINC000740007855 600087913 /nfs/dbraw/zinc/08/79/13/600087913.db2.gz LDQFTEKGIGEOPA-UHFFFAOYSA-N -1 0 341.298 3.823 20 0 EHADRM COc1ccc(C=CC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000737981372 600089979 /nfs/dbraw/zinc/08/99/79/600089979.db2.gz FIKFLMLYSMRGLV-RUDMXATFSA-N -1 0 330.315 3.576 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2ccc(C(F)(F)F)cn2)ccc1F ZINC000740008495 600090195 /nfs/dbraw/zinc/09/01/95/600090195.db2.gz NTTBYEFSZHMNIZ-UHFFFAOYSA-N -1 0 343.236 3.582 20 0 EHADRM CCc1[nH]c(C(=O)Nc2ccc(CSC)cc2)c(C)c1C(=O)[O-] ZINC000737246794 600091715 /nfs/dbraw/zinc/09/17/15/600091715.db2.gz WBSAEYLUYYESAG-UHFFFAOYSA-N -1 0 332.425 3.699 20 0 EHADRM COc1ccccc1C/C(C)=C/C(=O)OCc1cccc(C(=O)[O-])c1 ZINC000738124142 600108685 /nfs/dbraw/zinc/10/86/85/600108685.db2.gz LKVGFCLKNVRBLX-SDNWHVSQSA-N -1 0 340.375 3.626 20 0 EHADRM COc1ccccc1C/C(C)=C/C(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC000738124532 600108819 /nfs/dbraw/zinc/10/88/19/600108819.db2.gz QMWLHMSBLQFNCL-KQDNUWKFSA-N -1 0 340.375 3.553 20 0 EHADRM Cc1cc(Cl)ccc1NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000323928290 600111074 /nfs/dbraw/zinc/11/10/74/600111074.db2.gz PUAGLTMEFIYACT-UHFFFAOYSA-N -1 0 330.771 3.894 20 0 EHADRM O=C([O-])c1ccc(-c2noc(-c3cc(-c4cccs4)on3)n2)cc1 ZINC000740098697 600112705 /nfs/dbraw/zinc/11/27/05/600112705.db2.gz CJCBWGYTSZEISP-UHFFFAOYSA-N -1 0 339.332 3.818 20 0 EHADRM Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2cccc(C(=O)[O-])c2C)s1 ZINC000738844788 600112793 /nfs/dbraw/zinc/11/27/93/600112793.db2.gz OMBCWZKVONSCBW-LLVKDONJSA-N -1 0 347.440 3.991 20 0 EHADRM O=C([O-])c1ccc(-c2noc(CCSc3ccccc3)n2)cc1 ZINC000740101621 600113929 /nfs/dbraw/zinc/11/39/29/600113929.db2.gz PAAPYLAKMUKUDB-UHFFFAOYSA-N -1 0 326.377 3.770 20 0 EHADRM CC(C)[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC000736394411 600120729 /nfs/dbraw/zinc/12/07/29/600120729.db2.gz GXUWEZXLKHVSPI-GDBMZVCRSA-N -1 0 348.443 3.876 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)C[C@H](C)c1ccccc1F ZINC000736187280 600123154 /nfs/dbraw/zinc/12/31/54/600123154.db2.gz UPXQSVVMKGCUMZ-NSHDSACASA-N -1 0 344.338 3.826 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000738503526 600123254 /nfs/dbraw/zinc/12/32/54/600123254.db2.gz QRSFTPWTDQTQOP-UHFFFAOYSA-N -1 0 344.342 3.826 20 0 EHADRM CC(C)(C)CCNC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000736249173 600123768 /nfs/dbraw/zinc/12/37/68/600123768.db2.gz RGCJBFDMTFPUGC-UHFFFAOYSA-N -1 0 338.473 3.952 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)C=Cc1ccc(Cl)cc1 ZINC000736187749 600123942 /nfs/dbraw/zinc/12/39/42/600123942.db2.gz ZMOJKFQVCHIETJ-RUDMXATFSA-N -1 0 344.750 3.860 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)/C=C\Sc1ccccc1 ZINC000736187330 600124665 /nfs/dbraw/zinc/12/46/65/600124665.db2.gz VRDOWKXQYLDAER-KTKRTIGZSA-N -1 0 342.372 3.799 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)c1csc(C(C)(C)C)n1 ZINC000736185665 600125433 /nfs/dbraw/zinc/12/54/33/600125433.db2.gz PEONNCYSZORERO-UHFFFAOYSA-N -1 0 347.392 3.561 20 0 EHADRM CN(C(=O)CCSCC(=O)[O-])c1ccccc1-c1ccccc1 ZINC000737320125 600126372 /nfs/dbraw/zinc/12/63/72/600126372.db2.gz ULXRZXLIWRGIIZ-UHFFFAOYSA-N -1 0 329.421 3.524 20 0 EHADRM CC[C@@](NC(=O)c1ccc(Cl)cc1F)(C(=O)[O-])c1ccccc1 ZINC000485376526 600133133 /nfs/dbraw/zinc/13/31/33/600133133.db2.gz PQCNDVAPGDYKNM-KRWDZBQOSA-N -1 0 335.762 3.599 20 0 EHADRM CC[C@@](NC(=O)c1sc(C(C)C)nc1C)(C(=O)[O-])c1ccccc1 ZINC000562921481 600134242 /nfs/dbraw/zinc/13/42/42/600134242.db2.gz FCPPOXUZDQCZPU-SFHVURJKSA-N -1 0 346.452 3.695 20 0 EHADRM O=C([O-])c1cccc(OC(=O)c2sccc2SC(F)F)c1 ZINC000740227751 600143375 /nfs/dbraw/zinc/14/33/75/600143375.db2.gz UHKOCCMUYBVDAM-UHFFFAOYSA-N -1 0 330.333 3.980 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)Nc1ccsc1C(=O)[O-] ZINC000738126462 600144078 /nfs/dbraw/zinc/14/40/78/600144078.db2.gz UUFQDVQQKACCHF-NSHDSACASA-N -1 0 333.409 3.662 20 0 EHADRM CCCCc1ccc2nc(NC(=O)C(C)(C)NC(=O)[O-])sc2c1 ZINC000737003868 600149825 /nfs/dbraw/zinc/14/98/25/600149825.db2.gz LRCHNESKSBFCPS-UHFFFAOYSA-N -1 0 335.429 3.624 20 0 EHADRM CCOc1ccc(C(=O)Nc2ccc(F)cc2C(=O)[O-])cc1OCC ZINC000327303294 600155272 /nfs/dbraw/zinc/15/52/72/600155272.db2.gz NQSFRBVTIAZRSA-UHFFFAOYSA-N -1 0 347.342 3.574 20 0 EHADRM Cc1ccc2oc(C(=O)Oc3ccc(Cl)cc3C(=O)[O-])cc2n1 ZINC000738679926 600157605 /nfs/dbraw/zinc/15/76/05/600157605.db2.gz FPXKJRXJYSFTPM-UHFFFAOYSA-N -1 0 331.711 3.707 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)/C=C\Sc2ccccc2)C(=O)[O-])cc1 ZINC000738554596 600161800 /nfs/dbraw/zinc/16/18/00/600161800.db2.gz QDXGQGGWIGBAKE-WFTPILKQSA-N -1 0 341.432 3.585 20 0 EHADRM CCCCN(C)c1ccc(NC(=O)[C@H](CC(C)C)NC(=O)[O-])cc1 ZINC000736992627 600166539 /nfs/dbraw/zinc/16/65/39/600166539.db2.gz NHMSVXUCXSWQRW-INIZCTEOSA-N -1 0 335.448 3.544 20 0 EHADRM Cc1ccc(C)c(SCC(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC000320973743 600167519 /nfs/dbraw/zinc/16/75/19/600167519.db2.gz XQSGCTKIFKWFLF-UHFFFAOYSA-N -1 0 333.384 3.872 20 0 EHADRM Cc1ccc([C@H](CNc2ccnc(-c3ccccc3)n2)C(=O)[O-])cc1 ZINC000738569058 600167829 /nfs/dbraw/zinc/16/78/29/600167829.db2.gz QAEXPBLKEKQNMD-KRWDZBQOSA-N -1 0 333.391 3.732 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC000738125612 600175608 /nfs/dbraw/zinc/17/56/08/600175608.db2.gz HJEHKTBBYZVCMH-AUUYWEPGSA-N -1 0 342.391 3.633 20 0 EHADRM Cc1ccc([C@H](CNC(=O)Nc2ccc(C)cc2C)C(=O)[O-])cc1 ZINC000738559444 600176680 /nfs/dbraw/zinc/17/66/80/600176680.db2.gz IFCCPDGDXAREEI-INIZCTEOSA-N -1 0 326.396 3.602 20 0 EHADRM Cc1c(NC(=O)N2CC[C@@H](c3ccccc3F)C2)cccc1C(=O)[O-] ZINC000738302701 600177548 /nfs/dbraw/zinc/17/75/48/600177548.db2.gz CHFMYEZRWCCPTB-CYBMUJFWSA-N -1 0 342.370 3.854 20 0 EHADRM O=C([O-])c1sccc1NC(=O)N1CCC[C@H](Oc2ccccc2)C1 ZINC000740288759 600178233 /nfs/dbraw/zinc/17/82/33/600178233.db2.gz GZLMTJPGDAQISH-ZDUSSCGKSA-N -1 0 346.408 3.522 20 0 EHADRM CCN(C(=O)c1cc(C)nc2ccccc21)c1ccccc1C(=O)[O-] ZINC000737058154 600178925 /nfs/dbraw/zinc/17/89/25/600178925.db2.gz MXDLLBIQODJZRN-UHFFFAOYSA-N -1 0 334.375 3.908 20 0 EHADRM Cc1cccc(C)c1NC(=S)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000738689852 600189016 /nfs/dbraw/zinc/18/90/16/600189016.db2.gz SFKLDEJOKPWRBS-CQSZACIVSA-N -1 0 326.421 3.689 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)[C@@H](C)CSc2ccccc2)c1 ZINC000737939838 600190766 /nfs/dbraw/zinc/19/07/66/600190766.db2.gz LYFHREBRLZZODW-LBPRGKRZSA-N -1 0 346.404 3.727 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000362420170 600191208 /nfs/dbraw/zinc/19/12/08/600191208.db2.gz QFHDVIYHPRHOHQ-RHSMWYFYSA-N -1 0 343.448 3.747 20 0 EHADRM Cc1oc(CN(C)C(=O)N[C@H](C)c2cccc(C)c2C)cc1C(=O)[O-] ZINC000738693112 600191412 /nfs/dbraw/zinc/19/14/12/600191412.db2.gz SMIOQQWQHAKROC-CYBMUJFWSA-N -1 0 344.411 3.806 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000358610247 600194220 /nfs/dbraw/zinc/19/42/20/600194220.db2.gz PXMMZGZKYBMGSF-WTTBNOFXSA-N -1 0 347.480 3.659 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)c(F)c1 ZINC000740146954 600200927 /nfs/dbraw/zinc/20/09/27/600200927.db2.gz ZXXYARWOOPGXGB-QWHCGFSZSA-N -1 0 333.746 3.920 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000621558040 600202524 /nfs/dbraw/zinc/20/25/24/600202524.db2.gz WHOWURXRQJJRBD-KRWDZBQOSA-N -1 0 341.432 3.798 20 0 EHADRM O=C([O-])CCc1ccc(Nc2cnc3cc(F)c(F)cc3n2)cc1 ZINC000739765898 600206789 /nfs/dbraw/zinc/20/67/89/600206789.db2.gz HPIHPDMWTWJAOA-UHFFFAOYSA-N -1 0 329.306 3.669 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1cccc(F)c1 ZINC000237464702 600207937 /nfs/dbraw/zinc/20/79/37/600207937.db2.gz SNFUBXCOTZFRHL-CYBMUJFWSA-N -1 0 329.371 3.975 20 0 EHADRM C[C@@H](CC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21)c1cccc(F)c1 ZINC000192949080 600208076 /nfs/dbraw/zinc/20/80/76/600208076.db2.gz CJHCHQLGSQITLO-BLLLJJGKSA-N -1 0 327.355 3.534 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NCc2nc(-c3ccsc3)no2)c1 ZINC000740072970 600208586 /nfs/dbraw/zinc/20/85/86/600208586.db2.gz YUGJDEBTPAYTAT-UHFFFAOYSA-N -1 0 335.772 3.762 20 0 EHADRM Cc1ccc(C)c(CC(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)c1 ZINC000738573692 600210282 /nfs/dbraw/zinc/21/02/82/600210282.db2.gz TWRIEIRCCOLZCY-UHFFFAOYSA-N -1 0 349.333 3.784 20 0 EHADRM Cc1ccc(CCNC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])cc1 ZINC000237556109 600212841 /nfs/dbraw/zinc/21/28/41/600212841.db2.gz ZXPMFGXXZXXEAD-AWEZNQCLSA-N -1 0 343.448 3.533 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCc2ccsc2)c(OC(F)F)c1 ZINC000739259795 600213172 /nfs/dbraw/zinc/21/31/72/600213172.db2.gz ZQGVCYURIRUROJ-UHFFFAOYSA-N -1 0 341.335 3.619 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C2(c3ccccc3)CCCC2)c2ccccc21 ZINC000393124274 600224619 /nfs/dbraw/zinc/22/46/19/600224619.db2.gz SUUSAXHQFDQYTO-QGZVFWFLSA-N -1 0 335.403 3.713 20 0 EHADRM Cc1cc2occ(CC(=O)N3C[C@H](C(=O)[O-])c4ccccc43)c2cc1C ZINC000192947957 600226925 /nfs/dbraw/zinc/22/69/25/600226925.db2.gz RXDOSGZEMZZMBB-KRWDZBQOSA-N -1 0 349.386 3.807 20 0 EHADRM CCOc1cc(F)ccc1NC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000737191968 600229460 /nfs/dbraw/zinc/22/94/60/600229460.db2.gz MDQUKLAWVBBSNQ-UHFFFAOYSA-N -1 0 333.319 3.958 20 0 EHADRM CSc1cccc(NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)c1 ZINC000738214068 600232631 /nfs/dbraw/zinc/23/26/31/600232631.db2.gz JPDJUYWAYCFOIY-UHFFFAOYSA-N -1 0 346.408 3.906 20 0 EHADRM Cc1csc(C(C)(C)NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)n1 ZINC000738817226 600242341 /nfs/dbraw/zinc/24/23/41/600242341.db2.gz WRICSGBQZVRCOS-UHFFFAOYSA-N -1 0 333.413 3.515 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)C[C@@H](C)c1ccccc1C ZINC000736186946 600245195 /nfs/dbraw/zinc/24/51/95/600245195.db2.gz QHBUCVLTFLUTNN-CYBMUJFWSA-N -1 0 340.375 3.995 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000738085325 600248522 /nfs/dbraw/zinc/24/85/22/600248522.db2.gz NONGKEGERVEYEJ-UWVGGRQHSA-N -1 0 346.301 3.668 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1cccc(OCC(C)C)c1 ZINC000738087673 600249612 /nfs/dbraw/zinc/24/96/12/600249612.db2.gz ACDWERGUDAMFBZ-UHFFFAOYSA-N -1 0 344.363 3.647 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)Cc1ccc(CC(C)C)cc1 ZINC000738085622 600251235 /nfs/dbraw/zinc/25/12/35/600251235.db2.gz RCKHDFSTUVRQKM-UHFFFAOYSA-N -1 0 342.391 3.740 20 0 EHADRM CC(C)(C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21)c1cccc(Cl)c1 ZINC000736223603 600251506 /nfs/dbraw/zinc/25/15/06/600251506.db2.gz LYRYIIOXBXYLDB-OAHLLOKOSA-N -1 0 343.810 3.833 20 0 EHADRM CC(C)(C(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1cccc(Cl)c1 ZINC000621557072 600251620 /nfs/dbraw/zinc/25/16/20/600251620.db2.gz ZALCBUAPEDSXAS-UHFFFAOYSA-N -1 0 343.810 3.858 20 0 EHADRM Cc1cc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c(C(=O)[O-])[nH]1 ZINC000738553245 600256903 /nfs/dbraw/zinc/25/69/03/600256903.db2.gz VKNOGVNXDMXBTI-ZDUSSCGKSA-N -1 0 344.411 3.859 20 0 EHADRM CC[C@@](NC(=O)c1cc2cc(C)ccc2[nH]1)(C(=O)[O-])c1ccccc1 ZINC000581859676 600258996 /nfs/dbraw/zinc/25/89/96/600258996.db2.gz CKLPFYJVHVRKLZ-FQEVSTJZSA-N -1 0 336.391 3.596 20 0 EHADRM CCO[C@@H](C)c1noc(CNc2cc3ccccc3cc2C(=O)[O-])n1 ZINC000737156927 600261093 /nfs/dbraw/zinc/26/10/93/600261093.db2.gz IKEYWNDSANXSQO-NSHDSACASA-N -1 0 341.367 3.631 20 0 EHADRM O=C([O-])[C@H]1CC12CCN(C(=O)C(c1ccccc1)c1ccccc1)CC2 ZINC000262483558 600266560 /nfs/dbraw/zinc/26/65/60/600266560.db2.gz UYQILBXIVRMPEJ-GOSISDBHSA-N -1 0 349.430 3.532 20 0 EHADRM Cc1nc(C(C)(C)NC(=O)Nc2cccc(C(=O)[O-])c2)sc1C ZINC000738841923 600267599 /nfs/dbraw/zinc/26/75/99/600267599.db2.gz UKUXDYRLRYXMID-UHFFFAOYSA-N -1 0 333.413 3.515 20 0 EHADRM Cc1cccc(C(C)(C)NC(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC000738692608 600278929 /nfs/dbraw/zinc/27/89/29/600278929.db2.gz LTCNITKBPDDKAZ-UHFFFAOYSA-N -1 0 330.359 3.889 20 0 EHADRM Cc1noc(C)c1[C@@H](C)Nc1nc(C)nc2sc(C(=O)[O-])c(C)c21 ZINC000649389684 600281575 /nfs/dbraw/zinc/28/15/75/600281575.db2.gz BEQBGFMTFXUJNV-SSDOTTSWSA-N -1 0 346.412 3.784 20 0 EHADRM CN(Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)cc1)C(=O)[O-] ZINC000737477603 600283634 /nfs/dbraw/zinc/28/36/34/600283634.db2.gz IIFWDQYGTIEIBK-IRXDYDNUSA-N -1 0 342.370 3.678 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736626241 600285421 /nfs/dbraw/zinc/28/54/21/600285421.db2.gz LMRRDIIVQJLHPY-ZDUSSCGKSA-N -1 0 344.386 3.753 20 0 EHADRM CS[C@@H]1CCC[C@@H](NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC000390063857 600287494 /nfs/dbraw/zinc/28/74/94/600287494.db2.gz KUOHLRAQNQHEMS-DGCLKSJQSA-N -1 0 342.848 3.834 20 0 EHADRM CC(C)OCc1ccc(C(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000736486348 600291531 /nfs/dbraw/zinc/29/15/31/600291531.db2.gz QXUGFUYQSQWAIE-UHFFFAOYSA-N -1 0 342.395 3.632 20 0 EHADRM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736704202 600291679 /nfs/dbraw/zinc/29/16/79/600291679.db2.gz PKVFKCOVGFJUQT-LLVKDONJSA-N -1 0 348.786 3.514 20 0 EHADRM Cc1ccc(CCC(=O)Nc2ccc(CNC(=O)[O-])cc2)c(C)c1 ZINC000738589695 600293963 /nfs/dbraw/zinc/29/39/63/600293963.db2.gz UUNUQNCFNDWYKQ-UHFFFAOYSA-N -1 0 326.396 3.642 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)CCc2cccc(Cl)c2)cc1 ZINC000739984388 600295779 /nfs/dbraw/zinc/29/57/79/600295779.db2.gz FCYSRIKAXNEPJT-UHFFFAOYSA-N -1 0 332.787 3.679 20 0 EHADRM Cn1c2ccccc2nc1[C@@H]1CCCCN1Cc1cc(C(=O)[O-])co1 ZINC000739012885 600314897 /nfs/dbraw/zinc/31/48/97/600314897.db2.gz SWTLXIYXFUTAEY-KRWDZBQOSA-N -1 0 339.395 3.592 20 0 EHADRM Cc1ccc(OCC(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)c(C)c1 ZINC000738637957 600320519 /nfs/dbraw/zinc/32/05/19/600320519.db2.gz CFJGGJOZLSYEFC-KRWDZBQOSA-N -1 0 348.782 3.705 20 0 EHADRM Cc1oc(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1C(=O)[O-] ZINC000574696838 600321035 /nfs/dbraw/zinc/32/10/35/600321035.db2.gz BERPYMDKVHBQSR-UHFFFAOYSA-N -1 0 345.239 3.603 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccc2ccccc2n1)c1cccc(Cl)c1 ZINC000740296762 600321839 /nfs/dbraw/zinc/32/18/39/600321839.db2.gz DBUKGKPLKZAYJA-MRXNPFEDSA-N -1 0 341.750 3.871 20 0 EHADRM CCOc1cccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000737210829 600326317 /nfs/dbraw/zinc/32/63/17/600326317.db2.gz LFVUSTDECCLYIL-OAHLLOKOSA-N -1 0 334.755 3.721 20 0 EHADRM Cc1noc(C)c1[C@@H](C)NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000390176198 600334897 /nfs/dbraw/zinc/33/48/97/600334897.db2.gz PJZBJYYQDYUUJX-SSDOTTSWSA-N -1 0 337.763 3.526 20 0 EHADRM CCOc1cc(F)ccc1NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737192079 600336959 /nfs/dbraw/zinc/33/69/59/600336959.db2.gz QOPSDZRWKBMDLJ-UHFFFAOYSA-N -1 0 347.346 3.636 20 0 EHADRM C[C@H](c1ccco1)N(C)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736724063 600345868 /nfs/dbraw/zinc/34/58/68/600345868.db2.gz HYPJLRKJSJATTQ-GFCCVEGCSA-N -1 0 331.372 3.614 20 0 EHADRM CCC[C@@H](NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)C1CCCCC1 ZINC000736972460 600351662 /nfs/dbraw/zinc/35/16/62/600351662.db2.gz FUAUWRYFMOPSSG-JKSUJKDBSA-N -1 0 336.476 3.632 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000736648784 600352198 /nfs/dbraw/zinc/35/21/98/600352198.db2.gz KSYLTFCFETZNQX-JTQLQIEISA-N -1 0 349.337 3.615 20 0 EHADRM CCN(Cc1ccccc1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737103828 600353307 /nfs/dbraw/zinc/35/33/07/600353307.db2.gz KOQCOWACPVQJSG-UHFFFAOYSA-N -1 0 327.384 3.508 20 0 EHADRM CC(C)(NC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccccc1 ZINC000736324280 600357378 /nfs/dbraw/zinc/35/73/78/600357378.db2.gz IYYVWNVSWYLKEX-UHFFFAOYSA-N -1 0 327.384 3.511 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC000736629524 600368262 /nfs/dbraw/zinc/36/82/62/600368262.db2.gz NVLUDGPOJODETK-JTQLQIEISA-N -1 0 336.746 3.962 20 0 EHADRM Cc1cc(NC(=O)c2cc(Br)cs2)sc1C(=O)[O-] ZINC000738444663 600369173 /nfs/dbraw/zinc/36/91/73/600369173.db2.gz SJTUUMMGJPEXQX-UHFFFAOYSA-N -1 0 346.227 3.831 20 0 EHADRM Cc1cc(NC(=O)C[C@H]2CCOc3ccccc32)sc1C(=O)[O-] ZINC000738232638 600371495 /nfs/dbraw/zinc/37/14/95/600371495.db2.gz WSNQARFQBAIDIH-LLVKDONJSA-N -1 0 331.393 3.650 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)Nc1cc(C)c(C(=O)[O-])s1 ZINC000738120222 600371543 /nfs/dbraw/zinc/37/15/43/600371543.db2.gz LJWMIPGISGOZAS-SNVBAGLBSA-N -1 0 333.409 3.896 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)Nc1cc(C)c(C(=O)[O-])s1 ZINC000738126442 600371742 /nfs/dbraw/zinc/37/17/42/600371742.db2.gz TZDPSSFJZGZZPV-LLVKDONJSA-N -1 0 347.436 3.971 20 0 EHADRM O=C([O-])c1cnc(NC(=O)C2(c3cccs3)CCCCC2)s1 ZINC000740257789 600373498 /nfs/dbraw/zinc/37/34/98/600373498.db2.gz CNEXSCOBMGGXDW-UHFFFAOYSA-N -1 0 336.438 3.743 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2coc(-c3ccccc3)n2)c(F)cc1F ZINC000739459010 600374285 /nfs/dbraw/zinc/37/42/85/600374285.db2.gz MCTDKRKJUWTUBG-UHFFFAOYSA-N -1 0 344.273 3.570 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)Cc2csc(-c3ccoc3)n2)c1 ZINC000740043496 600376048 /nfs/dbraw/zinc/37/60/48/600376048.db2.gz UJNDSGGXDAZIJZ-UHFFFAOYSA-N -1 0 343.364 3.674 20 0 EHADRM C[C@H]1CCC[C@H](Sc2nc3ccccc3c(=O)n2CCC(=O)[O-])C1 ZINC000736777446 600377899 /nfs/dbraw/zinc/37/78/99/600377899.db2.gz CJYQFHYNNWVDPP-STQMWFEESA-N -1 0 346.452 3.542 20 0 EHADRM CCCc1cc(=O)[nH]c(S[C@@H](C(=O)[O-])c2cccc(Cl)c2)n1 ZINC000737045546 600378023 /nfs/dbraw/zinc/37/80/23/600378023.db2.gz WVGGPJHVBZZIHF-CYBMUJFWSA-N -1 0 338.816 3.706 20 0 EHADRM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(C)(C)CCC(=O)[O-] ZINC000237628264 600381928 /nfs/dbraw/zinc/38/19/28/600381928.db2.gz NDHMBBRYIOSNES-VIFPVBQESA-N -1 0 348.226 3.520 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)c2cc3cc(F)ccc3o2)cc1 ZINC000238208880 600382499 /nfs/dbraw/zinc/38/24/99/600382499.db2.gz NCFLLKDEFSAOFZ-UHFFFAOYSA-N -1 0 343.310 3.678 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)c1ccc(OC2CCCCC2)cc1 ZINC000739636687 600383072 /nfs/dbraw/zinc/38/30/72/600383072.db2.gz LFVGDSHVBFCVBS-INIZCTEOSA-N -1 0 345.439 3.868 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1ccc(-n2cccc2)cc1)c1ccccc1 ZINC000736851877 600384948 /nfs/dbraw/zinc/38/49/48/600384948.db2.gz LGTBFHSGALULLK-LJQANCHMSA-N -1 0 348.402 3.987 20 0 EHADRM Cc1cc(C(=O)NC(C)(C)CCC(=O)[O-])c(C)n1C1CCCCC1 ZINC000237577413 600385088 /nfs/dbraw/zinc/38/50/88/600385088.db2.gz NMEPEWWUINOZMQ-UHFFFAOYSA-N -1 0 334.460 3.983 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)Cc1cc2ccccc2o1)c1ccccc1 ZINC000736853026 600385139 /nfs/dbraw/zinc/38/51/39/600385139.db2.gz QQWFWGGFJVVXPB-QGZVFWFLSA-N -1 0 337.375 3.872 20 0 EHADRM CCc1cccc(OCC(=O)N(c2ccccc2)[C@@H](CC)C(=O)[O-])c1 ZINC000737270360 600387957 /nfs/dbraw/zinc/38/79/57/600387957.db2.gz QOFSYNOFTSJTEY-SFHVURJKSA-N -1 0 341.407 3.524 20 0 EHADRM C[C@H]1c2ccc(F)cc2CCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000678992165 600389795 /nfs/dbraw/zinc/38/97/95/600389795.db2.gz MLPWMQUVMMENHZ-ZDUSSCGKSA-N -1 0 341.382 3.602 20 0 EHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)CC(F)(F)F)cc1 ZINC000236747027 600390940 /nfs/dbraw/zinc/39/09/40/600390940.db2.gz FYWRSSJPPDWNDK-GFCCVEGCSA-N -1 0 331.334 3.569 20 0 EHADRM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)CCSCC(=O)[O-])cc1 ZINC000738584611 600391406 /nfs/dbraw/zinc/39/14/06/600391406.db2.gz ZNZIKYNGNYNMOA-KSSFIOAISA-N -1 0 335.469 3.503 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)NC[C@@H]2CCc3ccccc32)cc1 ZINC000739761390 600404528 /nfs/dbraw/zinc/40/45/28/600404528.db2.gz UWMCYDCGFPTSPV-INIZCTEOSA-N -1 0 338.407 3.555 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000485798955 600414014 /nfs/dbraw/zinc/41/40/14/600414014.db2.gz UMWJHPKZFDSCKA-DLBZAZTESA-N -1 0 349.446 3.792 20 0 EHADRM O=C([O-])[C@H](Nc1ccc(N2CCCC2=O)cc1)c1cccc(Cl)c1 ZINC000739513346 600417719 /nfs/dbraw/zinc/41/77/19/600417719.db2.gz SIIAQHRKKWFNCP-QGZVFWFLSA-N -1 0 344.798 3.705 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C[C@H]1CCc2ccccc2C1)c1cccs1 ZINC000675950822 600425130 /nfs/dbraw/zinc/42/51/30/600425130.db2.gz ZGWKXMFNKVXJNI-BBRMVZONSA-N -1 0 343.448 3.575 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)C[C@H]2CCc3ccccc3C2)c1 ZINC000262066615 600426350 /nfs/dbraw/zinc/42/63/50/600426350.db2.gz CJBYFULCRVCBME-LBPRGKRZSA-N -1 0 327.355 3.658 20 0 EHADRM Cc1cc(OCCCC(=O)Nc2cc(C(=O)[O-])ccn2)ccc1Cl ZINC000738474501 600428714 /nfs/dbraw/zinc/42/87/14/600428714.db2.gz OJKQEALDJAUQMP-UHFFFAOYSA-N -1 0 348.786 3.539 20 0 EHADRM O=C([O-])c1cc(OCc2csc(-c3ccco3)n2)ccc1[N+](=O)[O-] ZINC000326966897 600442787 /nfs/dbraw/zinc/44/27/87/600442787.db2.gz KNZCTYPNBQJKSB-UHFFFAOYSA-N -1 0 346.320 3.589 20 0 EHADRM Cc1cccc(C)c1OCCC(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738688501 600450555 /nfs/dbraw/zinc/45/05/55/600450555.db2.gz JCWFOCRNLFDYSG-SFHVURJKSA-N -1 0 346.354 3.581 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cc2ccc(Cl)cc2[nH]1)c1ccc(F)cc1 ZINC000740290444 600450893 /nfs/dbraw/zinc/45/08/93/600450893.db2.gz JETDNVOPPVEXRW-OAHLLOKOSA-N -1 0 347.729 3.943 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CCNC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736779029 600452002 /nfs/dbraw/zinc/45/20/02/600452002.db2.gz HYPHZLZOQYXZNY-ZIAGYGMSSA-N -1 0 330.428 3.626 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736616801 600456346 /nfs/dbraw/zinc/45/63/46/600456346.db2.gz AYGUJOVCYAWUBN-BLLLJJGKSA-N -1 0 348.395 3.923 20 0 EHADRM CN(C(=O)Nc1ccc(C(=O)[O-])cc1F)[C@@H]1CCc2ccccc2C1 ZINC000737328014 600456592 /nfs/dbraw/zinc/45/65/92/600456592.db2.gz ZQKPCAZMBIYUDD-OAHLLOKOSA-N -1 0 342.370 3.545 20 0 EHADRM Cc1ccc2cccc(NC(=O)NCCc3ccc(C(=O)[O-])cc3)c2n1 ZINC000738674701 600456979 /nfs/dbraw/zinc/45/69/79/600456979.db2.gz AGESXMVOLWZKLN-UHFFFAOYSA-N -1 0 349.390 3.606 20 0 EHADRM CCC1CCC(CNC(=O)NCCc2ccc(NC(=O)[O-])cc2)CC1 ZINC000736942046 600460102 /nfs/dbraw/zinc/46/01/02/600460102.db2.gz SFEHLQJKADAPFU-UHFFFAOYSA-N -1 0 347.459 3.835 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000738682679 600463039 /nfs/dbraw/zinc/46/30/39/600463039.db2.gz AZUAHJDQZAGXHQ-MRXNPFEDSA-N -1 0 342.420 3.707 20 0 EHADRM O=C([O-])[C@H](OC(=O)CC/C=C\c1ccccc1)c1ccc(F)cc1 ZINC000739235423 600466316 /nfs/dbraw/zinc/46/63/16/600466316.db2.gz JSDQCRXJGJZLCC-MPYGFJLXSA-N -1 0 328.339 3.988 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)[C@@H]1CSc2ccccc21)c1ccccc1 ZINC000173955423 600475468 /nfs/dbraw/zinc/47/54/68/600475468.db2.gz JCYGPGKQXDYSIA-CVEARBPZSA-N -1 0 341.432 3.598 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2ccccc2Oc2ccccc2)o1 ZINC000238128580 600476873 /nfs/dbraw/zinc/47/68/73/600476873.db2.gz ZQSKEEJKGYPVRB-UHFFFAOYSA-N -1 0 337.331 3.700 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCCOCc2ccccc2)cc1Cl ZINC000362397653 600477801 /nfs/dbraw/zinc/47/78/01/600477801.db2.gz RNJVDRYTRFNDJN-UHFFFAOYSA-N -1 0 347.798 3.974 20 0 EHADRM C[C@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000736840004 600478290 /nfs/dbraw/zinc/47/82/90/600478290.db2.gz INTUSXWWMGGLIK-JTQLQIEISA-N -1 0 346.333 3.814 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc3ncccc3c2)cc1Cl ZINC000238190744 600478779 /nfs/dbraw/zinc/47/87/79/600478779.db2.gz OBPGSVNFTUPYAC-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2CCOc3ccccc32)cc1Cl ZINC000238179525 600479990 /nfs/dbraw/zinc/47/99/90/600479990.db2.gz LGXYIAAREJOYAW-LBPRGKRZSA-N -1 0 331.755 3.543 20 0 EHADRM CC(C)(C)c1ccc(SCC(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000236601564 600480297 /nfs/dbraw/zinc/48/02/97/600480297.db2.gz LMPDUEXPUAXSDS-UHFFFAOYSA-N -1 0 347.436 3.684 20 0 EHADRM Cc1cc(C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)sc1C ZINC000237745465 600481501 /nfs/dbraw/zinc/48/15/01/600481501.db2.gz MKVQXJXZLUUBHU-UHFFFAOYSA-N -1 0 347.436 3.539 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1ccc(Oc2ccccn2)cc1 ZINC000417748870 600483462 /nfs/dbraw/zinc/48/34/62/600483462.db2.gz IQGFLBWXZMDMNA-UHFFFAOYSA-N -1 0 343.383 3.640 20 0 EHADRM CCC[C@@](C)(NC(=O)c1cccc(Nc2ccccc2)c1)C(=O)[O-] ZINC000736961651 600484614 /nfs/dbraw/zinc/48/46/14/600484614.db2.gz VTBMQURGDGQDCV-LJQANCHMSA-N -1 0 326.396 3.803 20 0 EHADRM CC(C)CCN(C(=O)NCCc1ccc(NC(=O)[O-])cc1)C1CC1 ZINC000736428262 600498218 /nfs/dbraw/zinc/49/82/18/600498218.db2.gz YAGVWUZGEYTJDK-UHFFFAOYSA-N -1 0 333.432 3.539 20 0 EHADRM CC(C)[C@@H]1CCCCN1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736396444 600498281 /nfs/dbraw/zinc/49/82/81/600498281.db2.gz VISNCWNAKZKDSX-INIZCTEOSA-N -1 0 333.432 3.539 20 0 EHADRM Cc1ccccc1[C@H](CC(C)C)NC(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738757529 600505691 /nfs/dbraw/zinc/50/56/91/600505691.db2.gz BHNICFJFLQZITM-WBVHZDCISA-N -1 0 347.459 3.524 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCCc2ccc(F)cc2)cc1Cl ZINC000320922442 600506539 /nfs/dbraw/zinc/50/65/39/600506539.db2.gz BSFQTNRUZRDZFS-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCC[C@@H]2c2ccncc2)cc1Cl ZINC000740145592 600511296 /nfs/dbraw/zinc/51/12/96/600511296.db2.gz ALWZKUVPUQQWRS-OAHLLOKOSA-N -1 0 345.786 3.802 20 0 EHADRM O=C([O-])c1ccc(Cl)cc1OC(=O)c1coc(-c2ccccc2)n1 ZINC000740297081 600511643 /nfs/dbraw/zinc/51/16/43/600511643.db2.gz NLFSPFHTUDGXJR-UHFFFAOYSA-N -1 0 343.722 3.912 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000739337827 600525047 /nfs/dbraw/zinc/52/50/47/600525047.db2.gz GEFFQBXXBYWCCV-UHFFFAOYSA-N -1 0 346.745 3.840 20 0 EHADRM O=C([O-])c1cc(Oc2ccccc2)ccc1NC(=O)C[C@H]1CCOC1 ZINC000739220699 600525417 /nfs/dbraw/zinc/52/54/17/600525417.db2.gz BOKNFSJDTCXOOH-CYBMUJFWSA-N -1 0 341.363 3.542 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000736357874 600527115 /nfs/dbraw/zinc/52/71/15/600527115.db2.gz CXZBCWIENDRYMN-ROUUACIJSA-N -1 0 337.419 3.716 20 0 EHADRM CCN(C(=O)[C@@H](C)Oc1ccccc1Cl)c1ccccc1C(=O)[O-] ZINC000737051368 600532169 /nfs/dbraw/zinc/53/21/69/600532169.db2.gz SBDGMTCCBUQSHE-GFCCVEGCSA-N -1 0 347.798 3.859 20 0 EHADRM CC(C)C[C@H](NC(=O)NCc1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000736413919 600533323 /nfs/dbraw/zinc/53/33/23/600533323.db2.gz DYFAAIYGSLRLFR-HNNXBMFYSA-N -1 0 330.384 3.564 20 0 EHADRM CC[C@@H](NC(=O)NCc1ccc(C(=O)[O-])o1)c1ccc(Cl)s1 ZINC000736914984 600534617 /nfs/dbraw/zinc/53/46/17/600534617.db2.gz YNVCDQHDOLDYFS-SECBINFHSA-N -1 0 342.804 3.643 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000236751444 600559855 /nfs/dbraw/zinc/55/98/55/600559855.db2.gz KATYZSVRIADFOY-OLZOCXBDSA-N -1 0 344.238 3.809 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000236745598 600560021 /nfs/dbraw/zinc/56/00/21/600560021.db2.gz KATYZSVRIADFOY-CHWSQXEVSA-N -1 0 344.238 3.809 20 0 EHADRM Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccccc1NC(=O)[O-])CC3 ZINC000738667119 600570158 /nfs/dbraw/zinc/57/01/58/600570158.db2.gz BJPFDETVLVAZIR-UHFFFAOYSA-N -1 0 349.390 3.765 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000740057544 600572031 /nfs/dbraw/zinc/57/20/31/600572031.db2.gz YAMNHMVDIXNECX-UHFFFAOYSA-N -1 0 340.257 3.769 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000740045723 600574465 /nfs/dbraw/zinc/57/44/65/600574465.db2.gz KBFXEQYIIXRPDJ-OAHLLOKOSA-N -1 0 330.771 3.847 20 0 EHADRM C[C@@H](CCC1CCCCC1)NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC000736562141 600579269 /nfs/dbraw/zinc/57/92/69/600579269.db2.gz LFZSAEFRXVEBMK-AWEZNQCLSA-N -1 0 333.428 3.629 20 0 EHADRM C[C@@H](CC(=O)[O-])SCC(=O)Nc1ccccc1-c1ccccc1 ZINC000736553143 600587575 /nfs/dbraw/zinc/58/75/75/600587575.db2.gz TXFFQSSAXZUEBM-ZDUSSCGKSA-N -1 0 329.421 3.889 20 0 EHADRM C[C@H](CC(=O)[O-])S[C@@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000736551333 600588429 /nfs/dbraw/zinc/58/84/29/600588429.db2.gz JJMGYIXRJNCDTQ-UTUOFQBUSA-N -1 0 335.425 3.595 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N1CCC[C@H](Cc2ccccc2)C1 ZINC000740041899 600589548 /nfs/dbraw/zinc/58/95/48/600589548.db2.gz XFMFZYXFUCEQNC-MRXNPFEDSA-N -1 0 338.407 3.871 20 0 EHADRM CN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737336002 600589807 /nfs/dbraw/zinc/58/98/07/600589807.db2.gz GQANJXSLFGNPKU-GOSISDBHSA-N -1 0 334.375 3.580 20 0 EHADRM Cc1ccc(C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)cc1-n1cccc1 ZINC000738505216 600593071 /nfs/dbraw/zinc/59/30/71/600593071.db2.gz YBLPMPNRTFHVML-LJQANCHMSA-N -1 0 348.402 3.684 20 0 EHADRM C/C(=C\C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1)c1cccc(F)c1 ZINC000736118895 600596015 /nfs/dbraw/zinc/59/60/15/600596015.db2.gz ZAXWDFTXBFKULC-IYPOZPNPSA-N -1 0 327.355 3.513 20 0 EHADRM CC1(C(=O)NC[C@H](Cc2cccc3ccccc32)C(=O)[O-])CCCC1 ZINC000486396481 600598518 /nfs/dbraw/zinc/59/85/18/600598518.db2.gz QQORYKXPBYUUHX-KRWDZBQOSA-N -1 0 339.435 3.780 20 0 EHADRM C[C@@H](CSCc1nc(-c2cccc(C(F)(F)F)c2)no1)C(=O)[O-] ZINC000321259450 600598780 /nfs/dbraw/zinc/59/87/80/600598780.db2.gz YIBBAAHDUKZCAE-QMMMGPOBSA-N -1 0 346.330 3.709 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NCCc1cc2ccccc2o1 ZINC000738536170 600600285 /nfs/dbraw/zinc/60/02/85/600600285.db2.gz YEIXSLUZKGYPJN-UHFFFAOYSA-N -1 0 338.363 3.804 20 0 EHADRM C[C@H](CSCC(=O)Nc1ccccc1-c1ccccc1)C(=O)[O-] ZINC000736613844 600601128 /nfs/dbraw/zinc/60/11/28/600601128.db2.gz PZVASPJHSREHPQ-CYBMUJFWSA-N -1 0 329.421 3.746 20 0 EHADRM O=C([O-])CN(C(=O)Cc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000337757944 600602529 /nfs/dbraw/zinc/60/25/29/600602529.db2.gz ULKUUMJUWSAKPC-UHFFFAOYSA-N -1 0 338.190 3.654 20 0 EHADRM O=C([O-])[C@H](CNC(=O)[C@@H]1CC=CCC1)Cc1ccc2ccccc2c1 ZINC000262815162 600605757 /nfs/dbraw/zinc/60/57/57/600605757.db2.gz QPAWJRIAJSIWQB-MJGOQNOKSA-N -1 0 337.419 3.556 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)N(CC(=O)[O-])c1ccccc1 ZINC000337751405 600606848 /nfs/dbraw/zinc/60/68/48/600606848.db2.gz QEPVDASWEWGBQH-LBPRGKRZSA-N -1 0 349.839 3.938 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N3CC[C@@H]3c3ccccc3)c12 ZINC000738362468 600611220 /nfs/dbraw/zinc/61/12/20/600611220.db2.gz OHMCIFFHADJESX-CYBMUJFWSA-N -1 0 339.420 3.958 20 0 EHADRM CCOc1cc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)ccc1C ZINC000236898029 600617933 /nfs/dbraw/zinc/61/79/33/600617933.db2.gz PICOVPIFAVWIDJ-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM CO[C@@](C)(C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1ccccc1 ZINC000737724118 600621924 /nfs/dbraw/zinc/62/19/24/600621924.db2.gz WFAVZRPLRQKSSL-QGZVFWFLSA-N -1 0 333.771 3.539 20 0 EHADRM Cc1csc(-c2cccc(C(=O)OCc3ccoc3C(=O)[O-])c2)n1 ZINC000738813715 600622099 /nfs/dbraw/zinc/62/20/99/600622099.db2.gz HEQGTXHEYAPVGB-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)CCNC(=O)[O-])[C@@H]1CCC[C@H](C)C1 ZINC000738759386 600624033 /nfs/dbraw/zinc/62/40/33/600624033.db2.gz WXGRLWHDHYAGFF-JCKWVBRZSA-N -1 0 332.444 3.636 20 0 EHADRM CN(CCc1ccc(Cl)cc1)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000570177934 600624472 /nfs/dbraw/zinc/62/44/72/600624472.db2.gz MXZOKKAEKCTEJZ-UHFFFAOYSA-N -1 0 345.826 3.672 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1cccc(NC(=O)[O-])c1)c1nccs1 ZINC000736861809 600624680 /nfs/dbraw/zinc/62/46/80/600624680.db2.gz QHNKPTAGQMNZII-OAHLLOKOSA-N -1 0 334.401 3.680 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)NC2(c3cccc(F)c3)CC2)cc1 ZINC000737332088 600625420 /nfs/dbraw/zinc/62/54/20/600625420.db2.gz NVKKGUWBUYLDBZ-UHFFFAOYSA-N -1 0 343.358 3.751 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)CCc2cccc(F)c2F)c1 ZINC000739261478 600625507 /nfs/dbraw/zinc/62/55/07/600625507.db2.gz STMKMVPHIMBPRC-UHFFFAOYSA-N -1 0 339.725 3.888 20 0 EHADRM CCN(C(=O)COc1c(C)cc(C)cc1C)c1ccccc1C(=O)[O-] ZINC000737059558 600647744 /nfs/dbraw/zinc/64/77/44/600647744.db2.gz AAVJHYAFKFSNMY-UHFFFAOYSA-N -1 0 341.407 3.742 20 0 EHADRM CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000827868015 600658825 /nfs/dbraw/zinc/65/88/25/600658825.db2.gz UDLGHERYJQFORK-CYBMUJFWSA-N -1 0 340.375 3.936 20 0 EHADRM CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000262104044 600662944 /nfs/dbraw/zinc/66/29/44/600662944.db2.gz FVSRWIQCDPTZCS-HZPDHXFCSA-N -1 0 327.380 3.521 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)c1cc(Cl)cc2cccnc21 ZINC000833025842 600669245 /nfs/dbraw/zinc/66/92/45/600669245.db2.gz SNYDLYQUYGCUKC-UHFFFAOYSA-N -1 0 345.738 3.845 20 0 EHADRM Cc1sc(NC(=O)CNc2ccc(F)c(C(=O)[O-])c2)c(C)c1C ZINC000738996352 600675412 /nfs/dbraw/zinc/67/54/12/600675412.db2.gz GFEVTFMGXWJGII-UHFFFAOYSA-N -1 0 336.388 3.561 20 0 EHADRM O=C([O-])c1c(F)cccc1NCc1csc(Br)c1 ZINC000397413812 600676304 /nfs/dbraw/zinc/67/63/04/600676304.db2.gz XCEFWKKQKNJPQW-UHFFFAOYSA-N -1 0 330.178 3.960 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)CCCc1ccc(Cl)cc1 ZINC000739891081 600676381 /nfs/dbraw/zinc/67/63/81/600676381.db2.gz BRDVAHCMRIQFRD-UHFFFAOYSA-N -1 0 332.783 3.895 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NCc1ccccc1OC(F)F ZINC000738474515 600676693 /nfs/dbraw/zinc/67/66/93/600676693.db2.gz OLXOHTJMBANXNU-UHFFFAOYSA-N -1 0 337.322 3.672 20 0 EHADRM Cc1ncc(Cl)c(C(=O)Oc2cc3ccccc3cc2C(=O)[O-])n1 ZINC000738885283 600677890 /nfs/dbraw/zinc/67/78/90/600677890.db2.gz IMAQDTGVTZOQHJ-UHFFFAOYSA-N -1 0 342.738 3.509 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cc2cc(F)ccc2o1)c1ccccc1F ZINC000833351880 600679675 /nfs/dbraw/zinc/67/96/75/600679675.db2.gz PMMJTVAUMBZHLS-OAHLLOKOSA-N -1 0 332.258 3.694 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000827593011 600679687 /nfs/dbraw/zinc/67/96/87/600679687.db2.gz YLFRTZUXEWUAGR-MEDUHNTESA-N -1 0 334.318 3.513 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N[C@H]2C[C@H]2c2c(F)cccc2Cl)c1 ZINC000740028975 600690326 /nfs/dbraw/zinc/69/03/26/600690326.db2.gz MJNJEZLJXZJPNS-RISCZKNCSA-N -1 0 348.761 3.855 20 0 EHADRM O=C([O-])c1cccc(-c2noc(CCc3cccc(Cl)c3)n2)c1 ZINC000833328016 600693403 /nfs/dbraw/zinc/69/34/03/600693403.db2.gz QQIREPFNIWZBPR-UHFFFAOYSA-N -1 0 328.755 3.873 20 0 EHADRM O=C([O-])c1ccc(-c2noc([C@H]3C[C@H]3c3cc(F)ccc3F)n2)cc1 ZINC000833309055 600693482 /nfs/dbraw/zinc/69/34/82/600693482.db2.gz XKKNBVGOOJSYSP-JSGCOSHPSA-N -1 0 342.301 3.984 20 0 EHADRM COc1ccc(CCCc2nc(-c3cccc(C(=O)[O-])c3)no2)cc1 ZINC000832299718 600694232 /nfs/dbraw/zinc/69/42/32/600694232.db2.gz LBKQEVXIMVVWQD-UHFFFAOYSA-N -1 0 338.363 3.619 20 0 EHADRM CC(=O)N(C)c1cccc(N[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000825822506 600694667 /nfs/dbraw/zinc/69/46/67/600694667.db2.gz GBMSXLQYSJORJG-MRXNPFEDSA-N -1 0 332.787 3.561 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CCC(CC(=O)[O-])CC2)cc1 ZINC000262411402 600695305 /nfs/dbraw/zinc/69/53/05/600695305.db2.gz JHAAZCZQGCZNPW-ZWKOTPCHSA-N -1 0 329.440 3.627 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2C[C@H]2c2c(F)cccc2Cl)s1 ZINC000432119579 600699729 /nfs/dbraw/zinc/69/97/29/600699729.db2.gz GVFJFBHJPVEWNW-XCBNKYQSSA-N -1 0 339.775 3.525 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@@H]2CCSc3ccccc32)cc1 ZINC000833316189 600710881 /nfs/dbraw/zinc/71/08/81/600710881.db2.gz UFKPYOZAMMNBMC-OAHLLOKOSA-N -1 0 328.389 3.708 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC000827428346 600721958 /nfs/dbraw/zinc/72/19/58/600721958.db2.gz UQFOCJIGSLBLGA-CYBMUJFWSA-N -1 0 330.355 3.836 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)[C@@H](C)CCc1ccccc1F ZINC000833025407 600722410 /nfs/dbraw/zinc/72/24/10/600722410.db2.gz JYDRPGVDJKNJHI-NSHDSACASA-N -1 0 334.343 3.737 20 0 EHADRM Cc1nc(C2CCCC2)sc1C(=O)OCc1occc1C(=O)[O-] ZINC000832996821 600724968 /nfs/dbraw/zinc/72/49/68/600724968.db2.gz GRYQOVXODGASHA-UHFFFAOYSA-N -1 0 335.381 3.757 20 0 EHADRM COc1ccccc1CN[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000832618572 600732211 /nfs/dbraw/zinc/73/22/11/600732211.db2.gz YPBKYEULQJTGRA-OAHLLOKOSA-N -1 0 340.206 3.918 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)OCc2ccc(F)cc2Cl)cc1O ZINC000833283089 600732948 /nfs/dbraw/zinc/73/29/48/600732948.db2.gz AREYNCGGOVNQEQ-UHFFFAOYSA-N -1 0 339.706 3.632 20 0 EHADRM O=C([O-])[C@H](Nc1cccc(OC(F)(F)F)c1)c1ccccc1F ZINC000833169654 600736343 /nfs/dbraw/zinc/73/63/43/600736343.db2.gz LSMJNLFAZNEVSF-CYBMUJFWSA-N -1 0 329.249 3.962 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000833025668 600737976 /nfs/dbraw/zinc/73/79/76/600737976.db2.gz QJFKQTGQIFGIGM-OXJNMPFZSA-N -1 0 340.375 3.624 20 0 EHADRM C[C@H](Nc1ccc(NC(=O)[O-])cc1)c1nc(Cc2ccccc2)no1 ZINC000827773448 600740606 /nfs/dbraw/zinc/74/06/06/600740606.db2.gz MHRYVUMMOMWZPP-LBPRGKRZSA-N -1 0 338.367 3.923 20 0 EHADRM C[C@H](CCOc1ccccc1)C(=O)OCc1cccc(C(=O)[O-])c1 ZINC000827422141 600742063 /nfs/dbraw/zinc/74/20/63/600742063.db2.gz MLXNFRVJISIMLW-CQSZACIVSA-N -1 0 328.364 3.533 20 0 EHADRM Cc1ccc(N(C(C)C)S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000832935809 600743805 /nfs/dbraw/zinc/74/38/05/600743805.db2.gz PZZHFYXTKYFODI-UHFFFAOYSA-N -1 0 347.436 3.605 20 0 EHADRM CCC[C@@H](CCc1ccccc1)NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263219296 600746910 /nfs/dbraw/zinc/74/69/10/600746910.db2.gz KEQZFRWKMYYVDJ-ADKAHSJRSA-N -1 0 346.471 3.731 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000417747747 600748227 /nfs/dbraw/zinc/74/82/27/600748227.db2.gz IZXIXRJRAZTWFA-UHFFFAOYSA-N -1 0 347.459 3.834 20 0 EHADRM CCC(CC)(CNC(=O)N1CCC(CC(=O)[O-])CC1)c1ccccc1 ZINC000828815034 600760522 /nfs/dbraw/zinc/76/05/22/600760522.db2.gz FOUSNCAQBFEOPE-UHFFFAOYSA-N -1 0 346.471 3.641 20 0 EHADRM Cc1cccc2c(CC(=O)Nc3ccc(N(C)C(=O)[O-])cc3)c[nH]c21 ZINC000738311606 600770944 /nfs/dbraw/zinc/77/09/44/600770944.db2.gz UYRZDUQTKIAFRL-UHFFFAOYSA-N -1 0 337.379 3.772 20 0 EHADRM CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000055675423 600773662 /nfs/dbraw/zinc/77/36/62/600773662.db2.gz GWKWAVDTAPSZKV-UHFFFAOYSA-N -1 0 347.436 3.525 20 0 EHADRM Cc1ccc(CC(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)s1 ZINC000776674159 600797615 /nfs/dbraw/zinc/79/76/15/600797615.db2.gz QCJNVPZPHQSVKN-AWEZNQCLSA-N -1 0 337.828 3.585 20 0 EHADRM Cc1ccccc1CC(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000776673572 600799152 /nfs/dbraw/zinc/79/91/52/600799152.db2.gz NFQHMNZVYGHDLK-INIZCTEOSA-N -1 0 331.799 3.523 20 0 EHADRM O=C([O-])Cc1ccc(OCc2ccc(OCC(F)(F)F)cc2)cc1 ZINC000833266725 600801977 /nfs/dbraw/zinc/80/19/77/600801977.db2.gz DXODBNBVMAFABN-UHFFFAOYSA-N -1 0 340.297 3.834 20 0 EHADRM Cc1nc(C)c(COc2ccc(Br)cc2C(=O)[O-])s1 ZINC000691894590 600802413 /nfs/dbraw/zinc/80/24/13/600802413.db2.gz HWABVJHZPPPTRY-UHFFFAOYSA-N -1 0 342.214 3.800 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cccc2cc[nH]c21)c1cccc(Cl)c1 ZINC000776674942 600803075 /nfs/dbraw/zinc/80/30/75/600803075.db2.gz NVPMTCYDLMAUSQ-HNNXBMFYSA-N -1 0 342.782 3.767 20 0 EHADRM Cc1cc(NC(=O)[C@H](C)CCOc2ccccc2)sc1C(=O)[O-] ZINC000832892828 600807314 /nfs/dbraw/zinc/80/73/14/600807314.db2.gz FWUUZBSTPNYLRX-LLVKDONJSA-N -1 0 333.409 3.798 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cccc(F)c1F)c1cccc(Cl)c1 ZINC000833200193 600807669 /nfs/dbraw/zinc/80/76/69/600807669.db2.gz JSAONAWKQLGOFF-CYBMUJFWSA-N -1 0 339.725 3.564 20 0 EHADRM C[C@@H](NC(=S)N1C[C@H](CC(=O)[O-])c2ccccc21)c1ccccc1 ZINC000736660571 600820009 /nfs/dbraw/zinc/82/00/09/600820009.db2.gz LLEFKKRUSAEVIV-HIFRSBDPSA-N -1 0 340.448 3.701 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=S)Nc2cccc(C)c2)c1OC ZINC000737856002 600822106 /nfs/dbraw/zinc/82/21/06/600822106.db2.gz YDDDWLLMHDCLMO-UHFFFAOYSA-N -1 0 346.408 3.519 20 0 EHADRM CCc1ccc(CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)cc1 ZINC000737260388 600823724 /nfs/dbraw/zinc/82/37/24/600823724.db2.gz KIYKNLHNVLLBET-UHFFFAOYSA-N -1 0 329.421 3.679 20 0 EHADRM CCCC[C@@H](Sc1n[nH]c(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000829296121 600833527 /nfs/dbraw/zinc/83/35/27/600833527.db2.gz NUTJZDDTQFWHOJ-LLVKDONJSA-N -1 0 325.821 3.861 20 0 EHADRM Cc1oc(CN2C[C@@H](c3ccccc3C)OC[C@H]2C)cc1C(=O)[O-] ZINC000652423302 600834418 /nfs/dbraw/zinc/83/44/18/600834418.db2.gz RUKDSDGTWQYUMX-ACJLOTCBSA-N -1 0 329.396 3.557 20 0 EHADRM CC/C(=C/C(=O)N[C@@H](C(=O)[O-])c1cccs1)c1ccc(C)cc1 ZINC000736833403 600837312 /nfs/dbraw/zinc/83/73/12/600837312.db2.gz CKRUHPLJKJPKNE-QAAVPBIRSA-N -1 0 329.421 3.792 20 0 EHADRM COC(=O)C[C@@H](C)S[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000831129671 600839964 /nfs/dbraw/zinc/83/99/64/600839964.db2.gz ZCXPTYDSHNXMTB-JMCQJSRRSA-N -1 0 337.224 3.804 20 0 EHADRM Cc1ccc(CCN(Cc2ccoc2C(=O)[O-])CC(F)(F)F)cc1 ZINC000832931373 600840246 /nfs/dbraw/zinc/84/02/46/600840246.db2.gz ZDTBSIKEOJRJIZ-UHFFFAOYSA-N -1 0 341.329 3.893 20 0 EHADRM COc1ccccc1[C@@H](C)SCC(=O)Nc1ccccc1C(=O)[O-] ZINC000832595540 600842293 /nfs/dbraw/zinc/84/22/93/600842293.db2.gz MERRUBFTHPLQSF-GFCCVEGCSA-N -1 0 345.420 3.826 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1SCCc2sccc21 ZINC000120258749 600847459 /nfs/dbraw/zinc/84/74/59/600847459.db2.gz WYLXFVWGSQKCIM-AWEZNQCLSA-N -1 0 333.434 3.724 20 0 EHADRM C[C@H](CC(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21)c1cccc(F)c1 ZINC000736545955 600847847 /nfs/dbraw/zinc/84/78/47/600847847.db2.gz UCVYDQFCZBFJRY-UKRRQHHQSA-N -1 0 341.382 3.924 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)CC(=O)c1ccccc1F ZINC000832914705 600847898 /nfs/dbraw/zinc/84/78/98/600847898.db2.gz GKDSYDACFYQNDS-GFCCVEGCSA-N -1 0 343.354 3.680 20 0 EHADRM C[C@H](CC(=O)c1ccccc1F)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000827398311 600851688 /nfs/dbraw/zinc/85/16/88/600851688.db2.gz WHIVSOFRBNFYLX-SNVBAGLBSA-N -1 0 347.317 3.511 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000262265617 600853523 /nfs/dbraw/zinc/85/35/23/600853523.db2.gz HDELWJOJGBAVHQ-ZDUSSCGKSA-N -1 0 329.371 3.660 20 0 EHADRM C/C(=C/C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21)c1cccc(F)c1 ZINC000736120987 600858870 /nfs/dbraw/zinc/85/88/70/600858870.db2.gz NLDMTAGWUCVUTE-CTXBLAANSA-N -1 0 339.366 3.834 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000739641654 600863717 /nfs/dbraw/zinc/86/37/17/600863717.db2.gz KZSQQLXNXBQLDO-XYPHTWIQSA-N -1 0 339.366 3.534 20 0 EHADRM Cc1ccc([C@H]2CCCCN2C(=O)CCc2ccc(C(=O)[O-])cc2)o1 ZINC000630288999 600866147 /nfs/dbraw/zinc/86/61/47/600866147.db2.gz LRZKOTPDRQMPRD-QGZVFWFLSA-N -1 0 341.407 3.973 20 0 EHADRM CCC[C@](C)(NC(=O)/C=C(\C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000766913687 600866989 /nfs/dbraw/zinc/86/69/89/600866989.db2.gz FSOVVKMFYIIMLC-SOGBHIHOSA-N -1 0 343.345 3.868 20 0 EHADRM Cc1cc(F)cc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)c1 ZINC000236634364 600869512 /nfs/dbraw/zinc/86/95/12/600869512.db2.gz XKSPMIMPFZKMPO-UHFFFAOYSA-N -1 0 331.343 3.872 20 0 EHADRM O=C([O-])c1cc(NC(=O)CC2CCCC2)c(Br)cc1F ZINC000739217947 600869881 /nfs/dbraw/zinc/86/98/81/600869881.db2.gz CMAMIDRBFWOIMX-UHFFFAOYSA-N -1 0 344.180 3.805 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000245983156 600873696 /nfs/dbraw/zinc/87/36/96/600873696.db2.gz PRMFTVAMEPXBJV-SQWLQELKSA-N -1 0 335.831 3.798 20 0 EHADRM Cc1ccc(NC(=O)[C@@H](C)CC(=O)c2ccccc2F)c(C(=O)[O-])c1 ZINC000832943326 600877468 /nfs/dbraw/zinc/87/74/68/600877468.db2.gz WALQPUZXQWEGKN-LBPRGKRZSA-N -1 0 343.354 3.680 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccc(Cl)c3ncccc23)C1 ZINC000323967597 600878628 /nfs/dbraw/zinc/87/86/28/600878628.db2.gz VJYRUCUAPUASDI-QWRGUYRKSA-N -1 0 332.787 3.718 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc(Cl)c3ncccc23)C1 ZINC000323967595 600878762 /nfs/dbraw/zinc/87/87/62/600878762.db2.gz VJYRUCUAPUASDI-MNOVXSKESA-N -1 0 332.787 3.718 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)C1 ZINC000245760728 600883680 /nfs/dbraw/zinc/88/36/80/600883680.db2.gz VNGNEBGVZMLWSZ-FMKPAKJESA-N -1 0 335.831 3.895 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N[C@H]1C[C@H]1C1CCCCC1)C(=O)[O-] ZINC000262390051 600884057 /nfs/dbraw/zinc/88/40/57/600884057.db2.gz KHDLFSVIUPKPKU-RCBQFDQVSA-N -1 0 347.480 3.950 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)NCc2cccc(Cl)c2Cl)C1 ZINC000565043892 600885296 /nfs/dbraw/zinc/88/52/96/600885296.db2.gz NSHIRRGDIZLLQU-UWVGGRQHSA-N -1 0 330.211 3.501 20 0 EHADRM CN(Cc1c(Cl)cccc1Cl)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000647117269 600885346 /nfs/dbraw/zinc/88/53/46/600885346.db2.gz OFFYQMJHTXACAN-WDEREUQCSA-N -1 0 344.238 3.843 20 0 EHADRM CCO[C@H](C)c1ncc(C(=O)N(CC)c2ccccc2C(=O)[O-])s1 ZINC000829901241 600887460 /nfs/dbraw/zinc/88/74/60/600887460.db2.gz KMCTWFSFHXATJZ-LLVKDONJSA-N -1 0 348.424 3.606 20 0 EHADRM CC(C)[C@H](C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000236621358 600888740 /nfs/dbraw/zinc/88/87/40/600888740.db2.gz JJQDXPPQGUJWMO-INIZCTEOSA-N -1 0 342.351 3.671 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2cccnc2Oc2ccccc2)C1 ZINC000833188229 600889666 /nfs/dbraw/zinc/88/96/66/600889666.db2.gz WZFIDENIYXJSAQ-UONOGXRCSA-N -1 0 340.379 3.703 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000832777393 600911331 /nfs/dbraw/zinc/91/13/31/600911331.db2.gz KNCVEXFGQCPWBV-ZJUUUORDSA-N -1 0 327.833 3.891 20 0 EHADRM CCOc1ccc(CN(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)C(C)C)cc1 ZINC000830070745 600915591 /nfs/dbraw/zinc/91/55/91/600915591.db2.gz GUSBEBSWCKUSAG-DLBZAZTESA-N -1 0 347.455 3.713 20 0 EHADRM COc1ccc(N(CC(C)C)C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000832383480 600915593 /nfs/dbraw/zinc/91/55/93/600915593.db2.gz IFQWVKMUWONORV-HUUCEWRRSA-N -1 0 333.428 3.575 20 0 EHADRM Cc1cccc(CN(CC(C)C)C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000832968421 600915651 /nfs/dbraw/zinc/91/56/51/600915651.db2.gz WEUBTBFAMGWWJR-ZWKOTPCHSA-N -1 0 331.456 3.871 20 0 EHADRM Cc1nc(-c2ccsc2)ccc1C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000191027852 600916006 /nfs/dbraw/zinc/91/60/06/600916006.db2.gz XAIOQABBNOSJED-AWEZNQCLSA-N -1 0 346.452 3.595 20 0 EHADRM CC(C)CCOc1ccccc1CNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000498621464 600921224 /nfs/dbraw/zinc/92/12/24/600921224.db2.gz XGOCUNPSQXUFGV-HZPDHXFCSA-N -1 0 347.455 3.619 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccc(N3CCCCCC3)cc2)C1 ZINC000328087958 600928226 /nfs/dbraw/zinc/92/82/26/600928226.db2.gz YJGDKIZEFOLAPO-HZPDHXFCSA-N -1 0 344.455 3.897 20 0 EHADRM CCC(CC)(NC(=O)CCOc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000828829403 600929113 /nfs/dbraw/zinc/92/91/13/600929113.db2.gz RJYFXSSDUFNMSS-UHFFFAOYSA-N -1 0 348.226 3.522 20 0 EHADRM CCCC[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(OC)cc1 ZINC000829285342 600929972 /nfs/dbraw/zinc/92/99/72/600929972.db2.gz KZKHGRHMQNASMP-JZXOWHBKSA-N -1 0 347.455 3.934 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CC[C@H](CSc3ccccc3)C2)cc1 ZINC000238001324 600930633 /nfs/dbraw/zinc/93/06/33/600930633.db2.gz PZKUTRMDUPRICB-AWEZNQCLSA-N -1 0 341.432 3.639 20 0 EHADRM O=C([O-])c1ccc(Cl)cc1OC(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000833317540 600939957 /nfs/dbraw/zinc/93/99/57/600939957.db2.gz URCMVKATZRZAFS-DNVCBOLYSA-N -1 0 342.778 3.848 20 0 EHADRM Cc1ccc(-c2csc(NC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)n2)cc1 ZINC000832907082 600941983 /nfs/dbraw/zinc/94/19/83/600941983.db2.gz LTKZJFAKCSUILJ-ZIAGYGMSSA-N -1 0 344.436 3.948 20 0 EHADRM Cc1ccc(OC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)c(C(=O)[O-])c1 ZINC000832952757 600946473 /nfs/dbraw/zinc/94/64/73/600946473.db2.gz CHPPHDSAGBBMLR-VXGBXAGGSA-N -1 0 332.302 3.681 20 0 EHADRM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000826694532 600954373 /nfs/dbraw/zinc/95/43/73/600954373.db2.gz YFLFKDMDTWAHRT-QGZVFWFLSA-N -1 0 344.386 3.913 20 0 EHADRM Cc1nc(-c2cccc(C(=O)O[C@H](CC(C)C)C(=O)[O-])c2)cs1 ZINC000832991558 600954740 /nfs/dbraw/zinc/95/47/40/600954740.db2.gz KZFLPDNEJVLLSD-OAHLLOKOSA-N -1 0 333.409 3.775 20 0 EHADRM Cc1ccccc1OCCCN1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000738785485 600959309 /nfs/dbraw/zinc/95/93/09/600959309.db2.gz RYMNOSVSFHWQHY-MRXNPFEDSA-N -1 0 325.408 3.842 20 0 EHADRM CCOc1ccc(OCCN2C[C@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000393038893 600960077 /nfs/dbraw/zinc/96/00/77/600960077.db2.gz KHNCMGXISBCGAT-HNNXBMFYSA-N -1 0 341.407 3.543 20 0 EHADRM O=C([O-])C[C@H]1CN(Cc2cc(-c3ccccc3)no2)c2ccccc21 ZINC000327511022 600962467 /nfs/dbraw/zinc/96/24/67/600962467.db2.gz GNNYNJDRUIDCAJ-HNNXBMFYSA-N -1 0 334.375 3.920 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2SCCc3ccccc32)sc1C(=O)[O-] ZINC000832892475 600965593 /nfs/dbraw/zinc/96/55/93/600965593.db2.gz BBXONVYKYGZQBP-CQSZACIVSA-N -1 0 333.434 3.724 20 0 EHADRM Cc1cc(NC(=O)[C@H]2C[C@]23CCc2ccccc23)sc1C(=O)[O-] ZINC000832892761 600965677 /nfs/dbraw/zinc/96/56/77/600965677.db2.gz DLAYYRRBTFVANF-ACJLOTCBSA-N -1 0 327.405 3.597 20 0 EHADRM O=C([O-])C[C@@H]1CN(Cc2csc(-c3ccoc3)n2)c2ccccc21 ZINC000739654366 600966552 /nfs/dbraw/zinc/96/65/52/600966552.db2.gz SXKHSAIUCMXGDN-CYBMUJFWSA-N -1 0 340.404 3.982 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccccc2CC(F)(F)F)C1 ZINC000180020682 600971028 /nfs/dbraw/zinc/97/10/28/600971028.db2.gz FWLJATWKXRLXNW-GHMZBOCLSA-N -1 0 329.318 3.621 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000180129049 600973359 /nfs/dbraw/zinc/97/33/59/600973359.db2.gz CXXCFFNSGAYSEZ-FGTMMUONSA-N -1 0 331.456 3.666 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccc(OC3CCCC3)c(F)c2)C1 ZINC000180024700 600973405 /nfs/dbraw/zinc/97/34/05/600973405.db2.gz HZZHJMZAYLSQOV-QWHCGFSZSA-N -1 0 349.402 3.977 20 0 EHADRM COc1ccc(Cl)cc1CN(C)[C@H](C(=O)[O-])c1ccccc1F ZINC000832367582 600984529 /nfs/dbraw/zinc/98/45/29/600984529.db2.gz JAFBPUNRWLZZBQ-INIZCTEOSA-N -1 0 337.778 3.745 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000094704862 600994092 /nfs/dbraw/zinc/99/40/92/600994092.db2.gz OCJLVGPTLFTAKZ-SECBINFHSA-N -1 0 333.215 3.862 20 0 EHADRM Cc1cccc(NC(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000832970925 600994124 /nfs/dbraw/zinc/99/41/24/600994124.db2.gz MSVKXEWEFHAKGP-HNNXBMFYSA-N -1 0 332.787 3.986 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000736343885 600994935 /nfs/dbraw/zinc/99/49/35/600994935.db2.gz QVVMQJSYBNNWOK-UHFFFAOYSA-N -1 0 325.364 3.982 20 0 EHADRM C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-])c1cccnc1 ZINC000826012086 600995316 /nfs/dbraw/zinc/99/53/16/600995316.db2.gz CVMPQLDZDNQDNU-SECBINFHSA-N -1 0 338.285 3.541 20 0 EHADRM CCCc1ccc(NC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000324993081 600997926 /nfs/dbraw/zinc/99/79/26/600997926.db2.gz WDFJXXYPCXLEBU-QGZVFWFLSA-N -1 0 326.396 3.629 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@@H]2CCSc3ccccc32)c1 ZINC000740140834 601000949 /nfs/dbraw/zinc/00/09/49/601000949.db2.gz OYDWEIOVOQPLBK-GFCCVEGCSA-N -1 0 331.368 3.742 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2c(F)cccc2NC2CC2)c1 ZINC000833287822 601001739 /nfs/dbraw/zinc/00/17/39/601001739.db2.gz AJRFOHCHVVCLKZ-UHFFFAOYSA-N -1 0 329.331 3.742 20 0 EHADRM COc1ccc(NC(=O)[C@H]2CCSc3ccccc32)c(C(=O)[O-])c1 ZINC000738024408 601005720 /nfs/dbraw/zinc/00/57/20/601005720.db2.gz BOBBYGBXXGKXSX-ZDUSSCGKSA-N -1 0 343.404 3.612 20 0 EHADRM C[C@@H](CNC(=O)Nc1cccc(C(=O)[O-])c1)Oc1cccc(Cl)c1 ZINC000827492835 601007202 /nfs/dbraw/zinc/00/72/02/601007202.db2.gz GHCHRQUPXQWOJN-NSHDSACASA-N -1 0 348.786 3.627 20 0 EHADRM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000828121402 601012512 /nfs/dbraw/zinc/01/25/12/601012512.db2.gz GJRKLGHSDZLNNK-YJBOKZPZSA-N -1 0 346.333 3.515 20 0 EHADRM Cc1cccc(N(CC(=O)[O-])C(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)n1 ZINC000738720307 601014367 /nfs/dbraw/zinc/01/43/67/601014367.db2.gz PHSAROKMPJCGBQ-HIFRSBDPSA-N -1 0 332.444 3.660 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)c2cc3cccc(F)c3o2)cc1 ZINC000739991773 601018270 /nfs/dbraw/zinc/01/82/70/601018270.db2.gz MZQHZYRTPPPPDG-UHFFFAOYSA-N -1 0 328.299 3.592 20 0 EHADRM C[C@@H](C(=O)NCCc1ccc(NC(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000736213987 601020734 /nfs/dbraw/zinc/02/07/34/601020734.db2.gz HHBULMJOKMZOTM-GFCCVEGCSA-N -1 0 346.814 3.892 20 0 EHADRM Cc1ccc(CCCCC(=O)Oc2ccccc2CC(=O)[O-])cc1 ZINC000738588884 601021732 /nfs/dbraw/zinc/02/17/32/601021732.db2.gz IVXXHSQERPTLBL-UHFFFAOYSA-N -1 0 326.392 3.941 20 0 EHADRM Cc1cnc([C@H](NC(=O)Nc2cccc(NC(=O)[O-])c2)C2CC2)s1 ZINC000832985509 601022372 /nfs/dbraw/zinc/02/23/72/601022372.db2.gz GDUPBYRJLNSMPC-CYBMUJFWSA-N -1 0 346.412 3.814 20 0 EHADRM C[C@H](CNC(=O)Nc1cccc(NC(=O)[O-])c1)c1ccc(F)cc1F ZINC000827493405 601023117 /nfs/dbraw/zinc/02/31/17/601023117.db2.gz SYFXHWRIUIIPCX-SNVBAGLBSA-N -1 0 349.337 3.980 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC000736622358 601025022 /nfs/dbraw/zinc/02/50/22/601025022.db2.gz NBMJXFASFDZFFY-CYBMUJFWSA-N -1 0 347.361 3.651 20 0 EHADRM C/C(=C\C(=O)N(CCC(=O)[O-])c1cccc(F)c1)c1ccccc1 ZINC000736117455 601028304 /nfs/dbraw/zinc/02/83/04/601028304.db2.gz KJWYMMPJHZMNGL-WYMLVPIESA-N -1 0 327.355 3.737 20 0 EHADRM C[C@H](C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1cccc(F)c1 ZINC000262558801 601029047 /nfs/dbraw/zinc/02/90/47/601029047.db2.gz YYEUEWFBWCUBJX-LBPRGKRZSA-N -1 0 329.371 3.930 20 0 EHADRM CCCc1ncc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)s1 ZINC000262424382 601029056 /nfs/dbraw/zinc/02/90/56/601029056.db2.gz DACBVVROSMKFMP-UHFFFAOYSA-N -1 0 332.425 3.710 20 0 EHADRM CN1CCCN(C(=O)c2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc21 ZINC000737518983 601030014 /nfs/dbraw/zinc/03/00/14/601030014.db2.gz VHMURYXVVHTXIZ-UHFFFAOYSA-N -1 0 344.798 3.525 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)N2CCC3(C2)CCCCC3)cc1 ZINC000830513730 601030076 /nfs/dbraw/zinc/03/00/76/601030076.db2.gz GXQIOTCMPCVSHW-UHFFFAOYSA-N -1 0 331.416 3.989 20 0 EHADRM C[C@@H]1C[C@H]1[C@@H](NC(=O)CCCN(C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000736766306 601034124 /nfs/dbraw/zinc/03/41/24/601034124.db2.gz RBABKQWERSJVDR-XFJVYGCCSA-N -1 0 338.835 3.543 20 0 EHADRM C[C@@H]1CCC[C@@H](C)N(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC000828240448 601035012 /nfs/dbraw/zinc/03/50/12/601035012.db2.gz WAUVSIIXIRBPFP-ZIAGYGMSSA-N -1 0 334.416 3.583 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1)c1ccncc1 ZINC000828951245 601035962 /nfs/dbraw/zinc/03/59/62/601035962.db2.gz HJHUPYWRETXOJY-ZDUSSCGKSA-N -1 0 332.335 3.583 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N(c1ncc(C(=O)[O-])s1)C1CC1 ZINC000738755681 601040724 /nfs/dbraw/zinc/04/07/24/601040724.db2.gz CAPKBYBKVZTMSG-GFCCVEGCSA-N -1 0 344.436 3.839 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1cccc(C(=O)[O-])c1 ZINC000537364918 601044767 /nfs/dbraw/zinc/04/47/67/601044767.db2.gz YMPPLHMVXPVPIM-GOSISDBHSA-N -1 0 325.408 3.787 20 0 EHADRM CC(C)[C@H](NC(=O)C[C@@H](Cc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000346018541 601053343 /nfs/dbraw/zinc/05/33/43/601053343.db2.gz RBQRCRJQJIJRNU-QUCCMNQESA-N -1 0 339.435 3.628 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)c2ccc(N3CCCCC3)cc2)cc1 ZINC000833266712 601055920 /nfs/dbraw/zinc/05/59/20/601055920.db2.gz DCKRQBLWQDOUMW-UHFFFAOYSA-N -1 0 339.391 3.523 20 0 EHADRM Cc1nc(NC(=O)CCCOc2ccc(C)c(C)c2)sc1C(=O)[O-] ZINC000832952638 601056892 /nfs/dbraw/zinc/05/68/92/601056892.db2.gz WSKOHQPZZYVRQX-UHFFFAOYSA-N -1 0 348.424 3.564 20 0 EHADRM CC[C@](C)(NC(=O)c1ccc(Oc2ccccc2Cl)nc1)C(=O)[O-] ZINC000828693262 601058009 /nfs/dbraw/zinc/05/80/09/601058009.db2.gz TWKZWFMXGNSTID-KRWDZBQOSA-N -1 0 348.786 3.510 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccccc1O)c1ccc(Cl)cc1Cl ZINC000833351619 601063306 /nfs/dbraw/zinc/06/33/06/601063306.db2.gz SPSIUAHTCUVZSQ-ZDUSSCGKSA-N -1 0 341.146 3.682 20 0 EHADRM Cc1ccc(-c2ocnc2C(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000237699984 601063501 /nfs/dbraw/zinc/06/35/01/601063501.db2.gz MFMWTJSEJOKBKG-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM CCc1c(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)cnn1-c1ccccc1 ZINC000237113346 601063841 /nfs/dbraw/zinc/06/38/41/601063841.db2.gz QSSWPXAFTXJSRX-UHFFFAOYSA-N -1 0 349.390 3.694 20 0 EHADRM O=C([O-])c1cccc(C(=O)NC2CC(c3cccc(Cl)c3)C2)c1 ZINC000740214103 601066112 /nfs/dbraw/zinc/06/61/12/601066112.db2.gz HCBMBTRKKGPHFD-UHFFFAOYSA-N -1 0 329.783 3.714 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC000540703572 601067923 /nfs/dbraw/zinc/06/79/23/601067923.db2.gz IKPWKPOKPFFNKK-UONOGXRCSA-N -1 0 331.318 3.714 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000315576044 601072551 /nfs/dbraw/zinc/07/25/51/601072551.db2.gz OFIZQIZADFTCAN-CYBMUJFWSA-N -1 0 338.190 3.592 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1cc2cc(F)ccc2s1)c1ccccc1 ZINC000325026531 601078824 /nfs/dbraw/zinc/07/88/24/601078824.db2.gz KMALLHASHHUDQG-CQSZACIVSA-N -1 0 343.379 3.639 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cc(F)c(F)cc1Cl)c1ccccc1F ZINC000833351950 601079045 /nfs/dbraw/zinc/07/90/45/601079045.db2.gz RBCRMPQYDHUFBU-ZDUSSCGKSA-N -1 0 344.672 3.740 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000262171374 601079076 /nfs/dbraw/zinc/07/90/76/601079076.db2.gz NWUFDUARMNQTJU-SJORKVTESA-N -1 0 343.448 3.542 20 0 EHADRM CCOc1cccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1 ZINC000830099499 601080315 /nfs/dbraw/zinc/08/03/15/601080315.db2.gz GNDUJFSPEJGXRM-WMZOPIPTSA-N -1 0 345.439 3.581 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000739394319 601080997 /nfs/dbraw/zinc/08/09/97/601080997.db2.gz ZAMUSTHYZJXVPU-HXUWFJFHSA-N -1 0 345.398 3.952 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1coc2ccccc12 ZINC000833178358 601084539 /nfs/dbraw/zinc/08/45/39/601084539.db2.gz GXZICDKGKDBLCA-PBHICJAKSA-N -1 0 341.407 3.928 20 0 EHADRM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000262795083 601085416 /nfs/dbraw/zinc/08/54/16/601085416.db2.gz LOEKDDVAKTWBRG-GWCFXTLKSA-N -1 0 333.384 3.809 20 0 EHADRM Cc1cc(C(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])c(C)s1 ZINC000832860486 601089146 /nfs/dbraw/zinc/08/91/46/601089146.db2.gz CJNYDLKCONFRJK-ZBFHGGJFSA-N -1 0 335.469 3.861 20 0 EHADRM COc1ccc(CNc2nc(-c3ccccc3)ns2)cc1C(=O)[O-] ZINC000738008117 601092567 /nfs/dbraw/zinc/09/25/67/601092567.db2.gz DITRJGVHHREERA-UHFFFAOYSA-N -1 0 341.392 3.524 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N[C@@H]2CCCc3occc32)cc1 ZINC000826118184 601093388 /nfs/dbraw/zinc/09/33/88/601093388.db2.gz CEQKHMLFZJDGLR-OAHLLOKOSA-N -1 0 342.395 3.841 20 0 EHADRM Cc1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1C(=O)[O-] ZINC000390016376 601109172 /nfs/dbraw/zinc/10/91/72/601109172.db2.gz QOHAJENYEJILON-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM CC(C)CO[C@@H](C)C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000826895083 601109675 /nfs/dbraw/zinc/10/96/75/601109675.db2.gz BXWZHVBCJUEISC-ZANVPECISA-N -1 0 349.210 3.723 20 0 EHADRM CCN(C(=O)c1cccc(Cl)c1Cl)c1ncc(C(=O)[O-])s1 ZINC000737059541 601113737 /nfs/dbraw/zinc/11/37/37/601113737.db2.gz QGFXACNXUQWQGM-UHFFFAOYSA-N -1 0 345.207 3.815 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)O[C@H](C)C(=O)c1ccc(C(C)C)cc1 ZINC000826806074 601120535 /nfs/dbraw/zinc/12/05/35/601120535.db2.gz CXEHWNOOWWEIDK-CJNGLKHVSA-N -1 0 349.427 3.607 20 0 EHADRM CC(C)(CC(=O)O[C@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000826541947 601122489 /nfs/dbraw/zinc/12/24/89/601122489.db2.gz BXKOQXROTXZFDZ-KRWDZBQOSA-N -1 0 330.355 3.863 20 0 EHADRM CCN(C(=O)CCCCc1ccc(C)cc1)c1ncc(C(=O)[O-])s1 ZINC000737051617 601124940 /nfs/dbraw/zinc/12/49/40/601124940.db2.gz AIWRWOGMJCILGW-UHFFFAOYSA-N -1 0 346.452 3.916 20 0 EHADRM CCN(C(=O)/C=C\c1ccc(Cl)cc1)c1ncc(C(=O)[O-])s1 ZINC000737054042 601124949 /nfs/dbraw/zinc/12/49/49/601124949.db2.gz YUWASETVJVYDMP-YVMONPNESA-N -1 0 336.800 3.561 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccccc2N2CCCCC2)C1 ZINC000392151543 601125671 /nfs/dbraw/zinc/12/56/71/601125671.db2.gz LIDSBDREXFLFSY-CABCVRRESA-N -1 0 330.428 3.506 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccc2c(c1)CCCC2 ZINC000326313977 601126050 /nfs/dbraw/zinc/12/60/50/601126050.db2.gz MIAYGNWMVHKSDJ-VHSSKADRSA-N -1 0 329.440 3.634 20 0 EHADRM CCC(CC)N(C(=O)Nc1ccc(OCCC(=O)[O-])cc1)C1CC1 ZINC000828862515 601127025 /nfs/dbraw/zinc/12/70/25/601127025.db2.gz LVHLZMGFZDRNGY-UHFFFAOYSA-N -1 0 334.416 3.725 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C(C)(C)C1 ZINC000828370884 601127631 /nfs/dbraw/zinc/12/76/31/601127631.db2.gz UZIIJBFXWXAXMG-CYBMUJFWSA-N -1 0 345.443 3.637 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)NC1(CC(=O)[O-])CCC1 ZINC000832853082 601133461 /nfs/dbraw/zinc/13/34/61/601133461.db2.gz CHWPCTBYHBHDAZ-UHFFFAOYSA-N -1 0 348.443 3.829 20 0 EHADRM CC[C@@H](C)c1ccccc1OS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000013068013 601136419 /nfs/dbraw/zinc/13/64/19/601136419.db2.gz STEFLGANWHMPHE-GFCCVEGCSA-N -1 0 334.393 3.666 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2nc3ccc(Cl)cc3s2)C1 ZINC000316080561 601146033 /nfs/dbraw/zinc/14/60/33/601146033.db2.gz QLMSPUASZIGULX-IUCAKERBSA-N -1 0 338.816 3.779 20 0 EHADRM N#Cc1c(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)sc2c1CCCCC2 ZINC000326335628 601146174 /nfs/dbraw/zinc/14/61/74/601146174.db2.gz TTXQCBWHRHFDLF-NWDGAFQWSA-N -1 0 346.452 3.718 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1cccc(C(F)(F)F)c1F ZINC000238128291 601148362 /nfs/dbraw/zinc/14/83/62/601148362.db2.gz IABZOGPIMLAKQI-UHFFFAOYSA-N -1 0 335.297 3.609 20 0 EHADRM O=C([O-])c1ccccc1OC(=O)CCc1ccc(Br)cc1 ZINC000833102285 601151427 /nfs/dbraw/zinc/15/14/27/601151427.db2.gz QOZDETAKBXHWJA-UHFFFAOYSA-N -1 0 349.180 3.686 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCCc3c(Cl)ccc(F)c32)C1 ZINC000833183976 601155421 /nfs/dbraw/zinc/15/54/21/601155421.db2.gz BSPHUCNQIBPZGP-WDEREUQCSA-N -1 0 339.794 3.649 20 0 EHADRM Cc1ccc(SC2(C(=O)N3CCC(C(=O)[O-])CC3)CCCC2)cc1 ZINC000237860581 601157801 /nfs/dbraw/zinc/15/78/01/601157801.db2.gz UDBZJHCOOSUZND-UHFFFAOYSA-N -1 0 347.480 3.723 20 0 EHADRM Cc1cccc([C@H](C)C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000486066331 601172309 /nfs/dbraw/zinc/17/23/09/601172309.db2.gz UUTRAULLOORPAA-MPGHIAIKSA-N -1 0 325.408 3.677 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Oc2ccc(-c3cscn3)cc2)C1 ZINC000833187905 601173429 /nfs/dbraw/zinc/17/34/29/601173429.db2.gz SJQYFOMGYBKGHX-CHWSQXEVSA-N -1 0 331.393 3.607 20 0 EHADRM C[C@H]1Sc2ccccc2N(C(=O)c2ccc(C(=O)[O-])cc2)[C@@H]1C ZINC000828521233 601173857 /nfs/dbraw/zinc/17/38/57/601173857.db2.gz IZPFDSIZYLPXGS-VXGBXAGGSA-N -1 0 327.405 3.914 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)OCc2ccc(OC(F)(F)F)cc2)C1 ZINC000833185044 601179993 /nfs/dbraw/zinc/17/99/93/601179993.db2.gz BDLRFEIZKCCEPE-NWDGAFQWSA-N -1 0 346.301 3.519 20 0 EHADRM Cc1oc(-c2ccccc2)nc1COC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833023765 601185085 /nfs/dbraw/zinc/18/50/85/601185085.db2.gz GVQLIPVRNMDGGM-HUUCEWRRSA-N -1 0 343.379 3.584 20 0 EHADRM Cc1ccc(-c2nc(COC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)cs2)o1 ZINC000832907897 601185709 /nfs/dbraw/zinc/18/57/09/601185709.db2.gz BADIFDBGVDNZGT-VXGBXAGGSA-N -1 0 349.408 3.646 20 0 EHADRM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000828162306 601193247 /nfs/dbraw/zinc/19/32/47/601193247.db2.gz VXRMSGWSJXSGPC-WFASDCNBSA-N -1 0 333.432 3.791 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C/C=C/c1ccc(F)cc1)c1cccs1 ZINC000238201526 601195389 /nfs/dbraw/zinc/19/53/89/601195389.db2.gz YDYNHXUEGRPZGR-YOUVMVQBSA-N -1 0 333.384 3.623 20 0 EHADRM CC(C)(NC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000826621459 601196767 /nfs/dbraw/zinc/19/67/67/601196767.db2.gz VFVDDBWEFSUXLR-UHFFFAOYSA-N -1 0 334.322 3.720 20 0 EHADRM O=C([O-])C1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000114896415 601199328 /nfs/dbraw/zinc/19/93/28/601199328.db2.gz DUWFFHCMHRTJFT-UHFFFAOYSA-N -1 0 332.278 3.669 20 0 EHADRM CCO[C@@H](CCNc1nc(Cl)c(C(=O)[O-])s1)C1CCCC1 ZINC000829917832 601202816 /nfs/dbraw/zinc/20/28/16/601202816.db2.gz JHMDPGANJXFMPO-JTQLQIEISA-N -1 0 332.853 3.892 20 0 EHADRM CC[C@H](Oc1ccccc1Cl)C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000829021246 601206593 /nfs/dbraw/zinc/20/65/93/601206593.db2.gz PIUOOTQVTQUSRL-HNNXBMFYSA-N -1 0 348.782 3.730 20 0 EHADRM COc1ccc(OCCCNc2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000832444302 601209953 /nfs/dbraw/zinc/20/99/53/601209953.db2.gz MCXXZBODKYZRCA-UHFFFAOYSA-N -1 0 337.322 3.553 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)C(C)(C)C ZINC000263280243 601213764 /nfs/dbraw/zinc/21/37/64/601213764.db2.gz SWYNTPQMFWLVTG-GOEBONIOSA-N -1 0 332.444 3.588 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1C[C@@H](C)CC[C@H]1C ZINC000828213607 601222504 /nfs/dbraw/zinc/22/25/04/601222504.db2.gz BEMIBDBZSWSKTO-QWHCGFSZSA-N -1 0 334.416 3.824 20 0 EHADRM O=C([O-])c1cc(C(=O)NCc2ccccc2Oc2ccccc2)ccn1 ZINC000238173957 601244840 /nfs/dbraw/zinc/24/48/40/601244840.db2.gz RWCSHEFONZDJQG-UHFFFAOYSA-N -1 0 348.358 3.502 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(NC[C@H](C)c3ccncc3)c12 ZINC000833003287 601253130 /nfs/dbraw/zinc/25/31/30/601253130.db2.gz RRDZGVOZAZBHBD-VIFPVBQESA-N -1 0 342.424 3.617 20 0 EHADRM COc1cccc(C(C)=CC(=O)Nc2cccc(NC(=O)[O-])c2)c1 ZINC000832529282 601255681 /nfs/dbraw/zinc/25/56/81/601255681.db2.gz XWMLJXOGKJMGMN-FMIVXFBMSA-N -1 0 326.352 3.827 20 0 EHADRM CC(C)c1ccccc1N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000827139417 601263273 /nfs/dbraw/zinc/26/32/73/601263273.db2.gz JOOQKQCZXGALOZ-OAHLLOKOSA-N -1 0 344.436 3.787 20 0 EHADRM CCCc1ccccc1N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000829567078 601264525 /nfs/dbraw/zinc/26/45/25/601264525.db2.gz YAYNIRJPXKJFQT-HNNXBMFYSA-N -1 0 344.436 3.616 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N(C[C@H]1CCCO1)C1CCCC1 ZINC000832915656 601271357 /nfs/dbraw/zinc/27/13/57/601271357.db2.gz IAGINJGQSDKKCX-MRXNPFEDSA-N -1 0 346.427 3.649 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)c1ccc(C(=O)[O-])cn1 ZINC000832853938 601272080 /nfs/dbraw/zinc/27/20/80/601272080.db2.gz ZDWBOGINSKCSTJ-UHFFFAOYSA-N -1 0 342.395 3.656 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000666361568 601276462 /nfs/dbraw/zinc/27/64/62/601276462.db2.gz BWFHZPKQCXTAOH-GJZGRUSLSA-N -1 0 347.436 3.546 20 0 EHADRM Cc1cscc1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000832990177 601276814 /nfs/dbraw/zinc/27/68/14/601276814.db2.gz OTKVYCPBULEPAP-UHFFFAOYSA-N -1 0 330.409 3.607 20 0 EHADRM CC(C)[C@H](C(=O)NCCCCCC(=O)[O-])c1cccc(Cl)c1 ZINC000236614642 601277387 /nfs/dbraw/zinc/27/73/87/601277387.db2.gz PXXOCQWCDIUCHD-INIZCTEOSA-N -1 0 325.836 3.841 20 0 EHADRM C[C@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1ccc(C(C)(C)C)cc1 ZINC000827709558 601277483 /nfs/dbraw/zinc/27/74/83/601277483.db2.gz BZBKKXNFMUIEHH-LBPRGKRZSA-N -1 0 326.396 3.568 20 0 EHADRM CC(C)[C@@H](C(=O)N1CCC(CC(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000262221643 601280622 /nfs/dbraw/zinc/28/06/22/601280622.db2.gz XFTGHGHTMQUWLC-QGZVFWFLSA-N -1 0 337.847 3.793 20 0 EHADRM O=C([O-])Nc1cc(NCC(=O)N2CCC[C@H]3CCCC[C@@H]32)ccc1F ZINC000833282430 601301591 /nfs/dbraw/zinc/30/15/91/601301591.db2.gz GVSQWVVDQGSPMO-WBMJQRKESA-N -1 0 349.406 3.509 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cccc(Oc2nccs2)c1 ZINC000678989533 601306550 /nfs/dbraw/zinc/30/65/50/601306550.db2.gz QXYGJBZJSVOJCN-UHFFFAOYSA-N -1 0 348.424 3.699 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2cc(C(=O)[O-])n(C)c2)c1 ZINC000832921565 601322693 /nfs/dbraw/zinc/32/26/93/601322693.db2.gz OFRGSRXDUZISEJ-ZDUSSCGKSA-N -1 0 344.411 3.561 20 0 EHADRM O=C([O-])[C@@H](NCc1cnc(-c2ccccc2)s1)c1ccccc1F ZINC000426787537 601347946 /nfs/dbraw/zinc/34/79/46/601347946.db2.gz FPUWWDGIFUBWJG-INIZCTEOSA-N -1 0 342.395 3.865 20 0 EHADRM COc1cccc(/C(C)=C/C(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC000832528530 601359158 /nfs/dbraw/zinc/35/91/58/601359158.db2.gz NVHUHEFKONRFOH-ZKQHCESOSA-N -1 0 330.336 3.694 20 0 EHADRM CSc1ccc(-c2nc(COc3cccc(C(=O)[O-])c3)no2)cc1 ZINC000832774562 601364592 /nfs/dbraw/zinc/36/45/92/601364592.db2.gz PMVGDGLUXXDTIC-UHFFFAOYSA-N -1 0 342.376 3.736 20 0 EHADRM CC(C)Oc1ccc(NC(=S)Nc2ccccc2CC(=O)[O-])cc1 ZINC000817921825 601367178 /nfs/dbraw/zinc/36/71/78/601367178.db2.gz VZDWYKVLAWBHNM-UHFFFAOYSA-N -1 0 344.436 3.910 20 0 EHADRM CC(C)c1cccc(NC(=O)COc2ccccc2NC(=O)[O-])c1 ZINC000827134139 601368589 /nfs/dbraw/zinc/36/85/89/601368589.db2.gz FUYUMBVGKGYFJS-UHFFFAOYSA-N -1 0 328.368 3.917 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000237175321 601391506 /nfs/dbraw/zinc/39/15/06/601391506.db2.gz BDMYMEKCSYBRNS-NSHDSACASA-N -1 0 331.343 3.665 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000828758234 601392416 /nfs/dbraw/zinc/39/24/16/601392416.db2.gz IWEGUDOASDERFB-SWLSCSKDSA-N -1 0 347.436 3.871 20 0 EHADRM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1cccs1)c1ccc(Cl)s1 ZINC000683298512 601392502 /nfs/dbraw/zinc/39/25/02/601392502.db2.gz DXWVRMDVSMFCPY-RKDXNWHRSA-N -1 0 343.857 3.899 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)CCc1cccc(Cl)c1)c1ccccc1 ZINC000237502394 601393558 /nfs/dbraw/zinc/39/35/58/601393558.db2.gz YJWRUHCSROJGEC-SCLBCKFNSA-N -1 0 345.826 3.851 20 0 EHADRM O=C([O-])c1nn(CN2CCC[C@H]2c2cccc(F)c2)c2ccccc21 ZINC000833347270 601398125 /nfs/dbraw/zinc/39/81/25/601398125.db2.gz WOXZGUICIONAHX-INIZCTEOSA-N -1 0 339.370 3.668 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000479515174 601400687 /nfs/dbraw/zinc/40/06/87/601400687.db2.gz INZIIDOTUFODQZ-NSHDSACASA-N -1 0 331.343 3.954 20 0 EHADRM Cc1cnc([C@H](C)Nc2nc(C)nc3sc(C(=O)[O-])c(C)c32)s1 ZINC000577282220 601410263 /nfs/dbraw/zinc/41/02/63/601410263.db2.gz AKUWECWZIZWUNS-QMMMGPOBSA-N -1 0 348.453 3.944 20 0 EHADRM CCN(Cc1cccc(Cl)c1)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000829722282 601422671 /nfs/dbraw/zinc/42/26/71/601422671.db2.gz JIGGYHDDPCCNNE-UHFFFAOYSA-N -1 0 338.835 3.517 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2CCC(c3cccc(F)c3)CC2)c1 ZINC000833289856 601427694 /nfs/dbraw/zinc/42/76/94/601427694.db2.gz KAYYVYCTGSEATM-UHFFFAOYSA-N -1 0 342.370 3.935 20 0 EHADRM C[C@@H](OC(=O)Cc1coc2cc(F)ccc12)c1ccc(C(=O)[O-])o1 ZINC000827839289 601430425 /nfs/dbraw/zinc/43/04/25/601430425.db2.gz PXAFAFSLPFNKOR-SECBINFHSA-N -1 0 332.283 3.710 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)Cc1coc2cc(F)ccc12 ZINC000833120263 601431249 /nfs/dbraw/zinc/43/12/49/601431249.db2.gz VLUIVCGXYUNKOB-UHFFFAOYSA-N -1 0 346.285 3.695 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NC1(CC(=O)[O-])CCC1 ZINC000262505680 601432080 /nfs/dbraw/zinc/43/20/80/601432080.db2.gz OEMSGBXLNMOYHU-JTQLQIEISA-N -1 0 344.238 3.686 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CCC1 ZINC000262556574 601438209 /nfs/dbraw/zinc/43/82/09/601438209.db2.gz WRLFPKJPDKQXRN-STQMWFEESA-N -1 0 342.222 3.611 20 0 EHADRM Cc1nc(Cl)sc1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000833000255 601451945 /nfs/dbraw/zinc/45/19/45/601451945.db2.gz GBEPWCFGGAEBQW-UHFFFAOYSA-N -1 0 331.180 3.709 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)c1ccc2ncsc2c1 ZINC000830390742 601457812 /nfs/dbraw/zinc/45/78/12/601457812.db2.gz OSINASUXNXHGGU-UHFFFAOYSA-N -1 0 331.349 3.507 20 0 EHADRM COc1ccc(C2(C(=O)O[C@H](C)c3ccc(C(=O)[O-])o3)CCC2)cc1 ZINC000832264414 601464719 /nfs/dbraw/zinc/46/47/19/601464719.db2.gz CIVXYJQJFFSEBE-GFCCVEGCSA-N -1 0 344.363 3.713 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000237108768 601464928 /nfs/dbraw/zinc/46/49/28/601464928.db2.gz GBMNSTBVQJBJRX-RFAUZJTJSA-N -1 0 348.226 3.520 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000829014996 601471723 /nfs/dbraw/zinc/47/17/23/601471723.db2.gz WLAKAZPXSLEGIK-STQMWFEESA-N -1 0 332.352 3.748 20 0 EHADRM COc1ccc([C@H](C)CC(=O)OCc2cc(C)c(C(=O)[O-])o2)cc1 ZINC000832220754 601474459 /nfs/dbraw/zinc/47/44/59/601474459.db2.gz FLIQAXUBWBKWBX-LLVKDONJSA-N -1 0 332.352 3.532 20 0 EHADRM CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000830157470 601478077 /nfs/dbraw/zinc/47/80/77/601478077.db2.gz JVMNXVBQBKJWIS-HUUCEWRRSA-N -1 0 336.457 3.879 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2ccc(CCC(F)(F)F)cc2)CCC1 ZINC000649541021 601486832 /nfs/dbraw/zinc/48/68/32/601486832.db2.gz OFPHPYGNSCHEEY-UHFFFAOYSA-N -1 0 344.333 3.700 20 0 EHADRM CC[C@@H](C(=O)N(CC)CCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000236952581 601535055 /nfs/dbraw/zinc/53/50/55/601535055.db2.gz FKGVDJUTDPLQNP-CYBMUJFWSA-N -1 0 331.334 3.522 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])C2CC2)sc1-c1ccc(F)cc1 ZINC000776630439 601538785 /nfs/dbraw/zinc/53/87/85/601538785.db2.gz VUFAANQLJXLFRA-AWEZNQCLSA-N -1 0 347.411 3.846 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1Cc1cc(-c2ccccc2)no1 ZINC000326684797 601543118 /nfs/dbraw/zinc/54/31/18/601543118.db2.gz PERYSEGRPXNDCL-IBGZPJMESA-N -1 0 334.375 3.526 20 0 EHADRM Cc1ccc(Oc2ccccc2)c(NC(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000263058042 601552969 /nfs/dbraw/zinc/55/29/69/601552969.db2.gz OBIIJVGONMWNDX-CQSZACIVSA-N -1 0 340.379 3.726 20 0 EHADRM Cc1cccc(Cl)c1NC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000832970262 601581149 /nfs/dbraw/zinc/58/11/49/601581149.db2.gz VVSDVHVBGTZELY-UHFFFAOYSA-N -1 0 347.798 3.981 20 0 EHADRM Cc1cccc(Cl)c1NC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000832969667 601581221 /nfs/dbraw/zinc/58/12/21/601581221.db2.gz NSDNVXSTTXPYAB-UHFFFAOYSA-N -1 0 342.782 3.940 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000538465479 601581320 /nfs/dbraw/zinc/58/13/20/601581320.db2.gz AZTLPENJGJYQNA-APPDUMDISA-N -1 0 349.789 3.915 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cccc(F)c1Cl)c1ccc(Cl)cc1 ZINC000345795708 601583617 /nfs/dbraw/zinc/58/36/17/601583617.db2.gz XDKJXUSNOGLYEI-ZDUSSCGKSA-N -1 0 342.153 3.688 20 0 EHADRM O=C([O-])[C@H](NC(=O)/C=C\Sc1ccccc1)c1ccc(Cl)cc1 ZINC000833092266 601584848 /nfs/dbraw/zinc/58/48/48/601584848.db2.gz ACBXEZRXNZXHGG-BLIJAFNYSA-N -1 0 347.823 3.888 20 0 EHADRM Cn1cc(CCC(=O)OCc2cccc(C(=O)[O-])c2)c2ccccc21 ZINC000833045032 601599247 /nfs/dbraw/zinc/59/92/47/601599247.db2.gz MFNMMCNLEUBQRV-UHFFFAOYSA-N -1 0 337.375 3.553 20 0 EHADRM O=C([O-])C1(CNC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)CCCC1 ZINC000678983478 601603125 /nfs/dbraw/zinc/60/31/25/601603125.db2.gz SDAHANMQDFUQST-ZWKOTPCHSA-N -1 0 337.419 3.705 20 0 EHADRM CN(C(=O)[O-])c1ccccc1C(=O)OCc1nc(C(C)(C)C)cs1 ZINC000830518948 601604018 /nfs/dbraw/zinc/60/40/18/601604018.db2.gz KFMODJHZINQQRW-UHFFFAOYSA-N -1 0 348.424 3.912 20 0 EHADRM COC(=O)c1ccc(NCc2csc(C(C)(C)C)n2)cc1C(=O)[O-] ZINC000831435488 601607150 /nfs/dbraw/zinc/60/71/50/601607150.db2.gz ZNUIWRMIJQNPPL-UHFFFAOYSA-N -1 0 348.424 3.538 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)CCc1ccc(-c2ccccc2)[nH]1 ZINC000738630685 601613160 /nfs/dbraw/zinc/61/31/60/601613160.db2.gz FITKYMBFSLROLL-UHFFFAOYSA-N -1 0 348.402 3.880 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)Nc1cc(F)ccc1F)c1ccccc1 ZINC000826039408 601614444 /nfs/dbraw/zinc/61/44/44/601614444.db2.gz SJHCNTYQSDPVPH-ZUZCIYMTSA-N -1 0 334.322 3.548 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Nc1ccc2oc3ccccc3c2c1)C1CC1 ZINC000833199278 601614599 /nfs/dbraw/zinc/61/45/99/601614599.db2.gz PKBQHVXSUZEYRP-HNNXBMFYSA-N -1 0 338.363 3.961 20 0 EHADRM Cc1ccc(F)c(NC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000832936097 601615394 /nfs/dbraw/zinc/61/53/94/601615394.db2.gz XVZUEXDLGORHFZ-BLLLJJGKSA-N -1 0 330.359 3.718 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000237526485 601615791 /nfs/dbraw/zinc/61/57/91/601615791.db2.gz QSUJARYEVCFCSD-CYBMUJFWSA-N -1 0 329.371 3.660 20 0 EHADRM Cc1cccc(Oc2ccc(NC(=O)NC[C@H](C)C(=O)[O-])cc2)c1 ZINC000832975399 601615978 /nfs/dbraw/zinc/61/59/78/601615978.db2.gz UEZYMVOSKGJQGG-ZDUSSCGKSA-N -1 0 328.368 3.630 20 0 EHADRM Cc1ccc(CC(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000013256854 601619508 /nfs/dbraw/zinc/61/95/08/601619508.db2.gz XMUYYFRFFHWIEQ-INIZCTEOSA-N -1 0 331.799 3.523 20 0 EHADRM COc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)ccc1C ZINC000345979321 601619979 /nfs/dbraw/zinc/61/99/79/601619979.db2.gz ZKQGOGXOYKAXGG-HNNXBMFYSA-N -1 0 347.798 3.603 20 0 EHADRM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)c1cccs1 ZINC000262149568 601622154 /nfs/dbraw/zinc/62/21/54/601622154.db2.gz TUXDHMMQIMSLDV-MFKMUULPSA-N -1 0 337.828 3.837 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Nc1ccc2[nH]ccc2c1)c1ccccc1 ZINC000826038756 601622418 /nfs/dbraw/zinc/62/24/18/601622418.db2.gz HAFQBVRZBIBJIJ-SJKOYZFVSA-N -1 0 337.379 3.751 20 0 EHADRM Cc1cc(=O)oc2cc(OCc3ccc(C(=O)[O-])c(F)c3)ccc12 ZINC000326146091 601627616 /nfs/dbraw/zinc/62/76/16/601627616.db2.gz KSIJXOQQAPAXGT-UHFFFAOYSA-N -1 0 328.295 3.518 20 0 EHADRM O=C([O-])[C@H]1CCCCN1C(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000136476373 601628194 /nfs/dbraw/zinc/62/81/94/601628194.db2.gz FYFVARZGBBIBDB-QGZVFWFLSA-N -1 0 345.345 3.711 20 0 EHADRM CCC(C)(C)OCc1cccc(NC(=O)NC[C@H](C)C(=O)[O-])c1C ZINC000828612040 601628469 /nfs/dbraw/zinc/62/84/69/601628469.db2.gz MKDQZQCDYVWYCU-LBPRGKRZSA-N -1 0 336.432 3.542 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000159816494 601628525 /nfs/dbraw/zinc/62/85/25/601628525.db2.gz HTHPMQQAATUJEW-MRXNPFEDSA-N -1 0 337.375 3.974 20 0 EHADRM C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000828510113 601635164 /nfs/dbraw/zinc/63/51/64/601635164.db2.gz WRSGMBHXGWLUHF-PJIJBLCYSA-N -1 0 343.398 3.874 20 0 EHADRM Cc1ccccc1-c1csc(=O)n1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000832973780 601636432 /nfs/dbraw/zinc/63/64/32/601636432.db2.gz CQBYEKXSVQXKAL-UHFFFAOYSA-N -1 0 343.379 3.771 20 0 EHADRM CCCCC[C@@H](NC(=O)c1cnc(-c2ccccc2)s1)C(=O)[O-] ZINC000236847515 601637738 /nfs/dbraw/zinc/63/77/38/601637738.db2.gz PYKHINXHNRMDFY-CYBMUJFWSA-N -1 0 332.425 3.573 20 0 EHADRM CCCCC[C@@H](NC(=O)c1cccc(-c2cscn2)c1)C(=O)[O-] ZINC000829333979 601643109 /nfs/dbraw/zinc/64/31/09/601643109.db2.gz YOJSZRXIBWYGJO-CQSZACIVSA-N -1 0 332.425 3.573 20 0 EHADRM CN(C(=O)c1cc(F)cc(C(F)(F)F)c1)c1ccccc1C(=O)[O-] ZINC000830523201 601657112 /nfs/dbraw/zinc/65/71/12/601657112.db2.gz HDSFSBCNSAKEKX-UHFFFAOYSA-N -1 0 341.260 3.819 20 0 EHADRM CCCCO[C@H]1C[C@H](N(C)C(=O)c2ccc(C(=O)[O-])s2)C1(C)C ZINC000236865013 601663788 /nfs/dbraw/zinc/66/37/88/601663788.db2.gz MAXJNFNKNJEIJB-KBPBESRZSA-N -1 0 339.457 3.502 20 0 EHADRM Cn1cc(CCC(=O)Nc2cccc(NC(=O)[O-])c2)c2ccccc21 ZINC000833045494 601668823 /nfs/dbraw/zinc/66/88/23/601668823.db2.gz YBMFJQCOLXBUDL-UHFFFAOYSA-N -1 0 337.379 3.840 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)Cc1cccc(F)c1F ZINC000190737580 601672146 /nfs/dbraw/zinc/67/21/46/601672146.db2.gz BVUSKALPQNNHRD-UHFFFAOYSA-N -1 0 349.333 3.631 20 0 EHADRM CC[C@](C)(NC(=O)CCCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000262201888 601672214 /nfs/dbraw/zinc/67/22/14/601672214.db2.gz SFNTYYVYWXFODD-ZDUSSCGKSA-N -1 0 338.256 3.747 20 0 EHADRM Cn1cc(CCC(=O)Nc2ccc(C(=O)[O-])cc2F)c2ccccc21 ZINC000833044818 601674919 /nfs/dbraw/zinc/67/49/19/601674919.db2.gz HNHKVKYVURXJQO-UHFFFAOYSA-N -1 0 340.354 3.587 20 0 EHADRM Cc1oc(CN(C)C(=O)N[C@@H](C)c2ccc(C)c(F)c2)cc1C(=O)[O-] ZINC000832920772 601677690 /nfs/dbraw/zinc/67/76/90/601677690.db2.gz GDHLWMLANXBUPQ-NSHDSACASA-N -1 0 348.374 3.636 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1Oc1c(F)c(F)nc(F)c1F ZINC000831976648 601679092 /nfs/dbraw/zinc/67/90/92/601679092.db2.gz NLVDSGDOZUWUAU-HYXAFXHYSA-N -1 0 343.232 3.537 20 0 EHADRM CC[C@@H](C(=O)OC/C=C(\C)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000828604317 601682271 /nfs/dbraw/zinc/68/22/71/601682271.db2.gz ZWBITZKEPVEREG-UTSBKAFOSA-N -1 0 330.302 3.773 20 0 EHADRM CC(C)(CNC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1)C(=O)[O-] ZINC000236638492 601712598 /nfs/dbraw/zinc/71/25/98/601712598.db2.gz YVABPOVONXCGLF-UHFFFAOYSA-N -1 0 344.238 3.642 20 0 EHADRM O=C([O-])c1ccc(COC(=O)CCc2cccc(Cl)c2)cc1F ZINC000833102116 601720430 /nfs/dbraw/zinc/72/04/30/601720430.db2.gz COKNWKXJUCIQPT-UHFFFAOYSA-N -1 0 336.746 3.853 20 0 EHADRM O=C([O-])c1cn(CC(=O)Nc2cccc3ccncc32)c2ccccc12 ZINC000833120246 601727197 /nfs/dbraw/zinc/72/71/97/601727197.db2.gz RLLPKRCHRLYTBM-UHFFFAOYSA-N -1 0 345.358 3.526 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1coc(-c2ccccc2)n1 ZINC000833030801 601729875 /nfs/dbraw/zinc/72/98/75/601729875.db2.gz CCUHYPSDXXXDFN-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2cc(Cl)ccc2o1)c1ccccc1F ZINC000678988874 601734606 /nfs/dbraw/zinc/73/46/06/601734606.db2.gz OXLDPVITBQJARN-HNNXBMFYSA-N -1 0 347.729 3.781 20 0 EHADRM CSc1ccccc1C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC000316459102 601742465 /nfs/dbraw/zinc/74/24/65/601742465.db2.gz KSARGPNULKPXSY-UHFFFAOYSA-N -1 0 336.438 3.525 20 0 EHADRM CCCCOc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000678985727 601745358 /nfs/dbraw/zinc/74/53/58/601745358.db2.gz HSBGGMRQOYDQKM-QGZVFWFLSA-N -1 0 345.370 3.560 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc(Cl)sc1Cl)C1CCCCC1 ZINC000236442570 601752416 /nfs/dbraw/zinc/75/24/16/601752416.db2.gz MXHRZVXEJUTJSJ-JTQLQIEISA-N -1 0 336.240 3.818 20 0 EHADRM Cc1ccc2c(CCC(=O)N[C@H](C(=O)[O-])C3CCCCC3)c[nH]c2c1 ZINC000832960091 601755327 /nfs/dbraw/zinc/75/53/27/601755327.db2.gz MEFCHKHLLCYHTN-IBGZPJMESA-N -1 0 342.439 3.559 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)C1CCCCC1 ZINC000833125801 601756746 /nfs/dbraw/zinc/75/67/46/601756746.db2.gz QHKQLQSUGQKIJE-XHSDSOJGSA-N -1 0 335.831 3.593 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)N1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000830169110 601792703 /nfs/dbraw/zinc/79/27/03/601792703.db2.gz OFQXTYNWEDHBTF-GXSJLCMTSA-N -1 0 342.848 3.636 20 0 EHADRM Cc1ccc(NC(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1OCCC(C)C ZINC000832944518 601794953 /nfs/dbraw/zinc/79/49/53/601794953.db2.gz GIEBZPFFZKYHQP-GDBMZVCRSA-N -1 0 348.443 3.604 20 0 EHADRM COc1cccc([C@H](C)CC(=O)N[C@H](CC(=O)[O-])c2cccs2)c1 ZINC000237324964 601800894 /nfs/dbraw/zinc/80/08/94/601800894.db2.gz WIDNRFQNWLZHOC-IUODEOHRSA-N -1 0 347.436 3.583 20 0 EHADRM COc1cc(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])ccc1C ZINC000738073662 601807761 /nfs/dbraw/zinc/80/77/61/601807761.db2.gz LIEPGLJADURAOC-UHFFFAOYSA-N -1 0 331.393 3.893 20 0 EHADRM C[C@@H](OCc1ccccc1)C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000827879289 601807961 /nfs/dbraw/zinc/80/79/61/601807961.db2.gz NGUATYPRGCUPIW-LLVKDONJSA-N -1 0 345.420 3.868 20 0 EHADRM O=C([O-])c1c(C2CC2)csc1NC(=O)[C@@H]1CCc2ccccc21 ZINC000738668513 601808626 /nfs/dbraw/zinc/80/86/26/601808626.db2.gz BIBKJSRMUHYISU-CYBMUJFWSA-N -1 0 327.405 3.992 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@]3(CCCc4ccccc43)C2)cc1 ZINC000833310043 601813473 /nfs/dbraw/zinc/81/34/73/601813473.db2.gz RRGZSCFNDCXGGX-QFIPXVFZSA-N -1 0 349.430 3.895 20 0 EHADRM CC[C@@H]1CCCCN1C(=O)CSCc1ccc(C(=O)[O-])c(F)c1 ZINC000829118964 601815269 /nfs/dbraw/zinc/81/52/69/601815269.db2.gz LXZKMSZNQKXDHS-CYBMUJFWSA-N -1 0 339.432 3.548 20 0 EHADRM Cc1cc(OCC(=O)N2CCC(CCC(=O)[O-])CC2)ccc1C(C)C ZINC000554283040 601816541 /nfs/dbraw/zinc/81/65/41/601816541.db2.gz ORADZQQJCBHEJC-UHFFFAOYSA-N -1 0 347.455 3.601 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)/C=C/c2ccc(Cl)s2)CC1 ZINC000050922642 601818176 /nfs/dbraw/zinc/81/81/76/601818176.db2.gz PHEQYDMWKWRXPX-HWKANZROSA-N -1 0 327.833 3.518 20 0 EHADRM O=C([O-])CCC1CCN(c2ccc(C(F)(F)F)c(Cl)n2)CC1 ZINC000833224581 601830176 /nfs/dbraw/zinc/83/01/76/601830176.db2.gz BYQYZAVAFSDMAL-UHFFFAOYSA-N -1 0 336.741 3.835 20 0 EHADRM CCc1cccc(C)c1NC(=O)CNc1cc(F)c(F)cc1C(=O)[O-] ZINC000830260159 601830862 /nfs/dbraw/zinc/83/08/62/601830862.db2.gz UWNCUDLZWMDZRE-UHFFFAOYSA-N -1 0 348.349 3.584 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)CN1CCC(CCC(=O)[O-])CC1 ZINC000662218760 601842243 /nfs/dbraw/zinc/84/22/43/601842243.db2.gz BARXXSLMGVSPFX-UHFFFAOYSA-N -1 0 346.471 3.634 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000761747928 601850266 /nfs/dbraw/zinc/85/02/66/601850266.db2.gz CSKRJXXVIXHXFM-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM CN(C(=O)c1cncc(-c2ccccc2)c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000830537166 601866016 /nfs/dbraw/zinc/86/60/16/601866016.db2.gz BYAWLNYDVGGMMQ-LJQANCHMSA-N -1 0 346.386 3.647 20 0 EHADRM Cc1cc(F)c(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1F ZINC000678982633 601866437 /nfs/dbraw/zinc/86/64/37/601866437.db2.gz JSLQLUBODQFTNT-UHFFFAOYSA-N -1 0 333.334 3.888 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)[C@H]2C[C@H]2Cc2ccccc2)cc1 ZINC000833262072 601875287 /nfs/dbraw/zinc/87/52/87/601875287.db2.gz ATRGLUJCWXQLKQ-PBHICJAKSA-N -1 0 342.416 3.648 20 0 EHADRM Cc1ccc(CCC(=O)Oc2ccc(SCC(=O)[O-])cc2)cc1 ZINC000832930812 601875471 /nfs/dbraw/zinc/87/54/71/601875471.db2.gz OYBUELQPBZVGSF-UHFFFAOYSA-N -1 0 330.405 3.710 20 0 EHADRM O=C([O-])c1cc(-c2csc(NC(=O)C(F)=C3CCCC3)n2)c[nH]1 ZINC000833165375 601881708 /nfs/dbraw/zinc/88/17/08/601881708.db2.gz HRCCXKVNVPRSRG-UHFFFAOYSA-N -1 0 335.360 3.573 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NCC1(C)CCCCC1)C(=O)[O-] ZINC000827914578 601885353 /nfs/dbraw/zinc/88/53/53/601885353.db2.gz ABCYNROMDJBSGL-ZDUSSCGKSA-N -1 0 335.469 3.952 20 0 EHADRM C[C@H](SCC(=O)[O-])c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000827901804 601891306 /nfs/dbraw/zinc/89/13/06/601891306.db2.gz AHIRIFXZWPURFU-LURJTMIESA-N -1 0 333.196 3.922 20 0 EHADRM CC(C)Oc1cccc(CC(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])c1 ZINC000537410727 601904177 /nfs/dbraw/zinc/90/41/77/601904177.db2.gz IOCLSBMGIBRTOK-MSOLQXFVSA-N -1 0 347.455 3.556 20 0 EHADRM COc1cccc(CCCNc2ccc(OCC(=O)[O-])cc2C)c1 ZINC000832549434 601908109 /nfs/dbraw/zinc/90/81/09/601908109.db2.gz LUPOLDNDTZQKJA-UHFFFAOYSA-N -1 0 329.396 3.512 20 0 EHADRM O=C([O-])c1cccc(CNc2nc(C(F)(F)F)nc3ccccc32)c1 ZINC000833328970 601935111 /nfs/dbraw/zinc/93/51/11/601935111.db2.gz IDVGPWBNZYQVGB-UHFFFAOYSA-N -1 0 347.296 3.959 20 0 EHADRM Cc1ccc(NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])c(C)c1O ZINC000832947969 601936244 /nfs/dbraw/zinc/93/62/44/601936244.db2.gz JWGSDGLOYAHXDX-LBPRGKRZSA-N -1 0 345.420 3.827 20 0 EHADRM O=C([O-])c1ccc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)s1 ZINC000575130164 601943887 /nfs/dbraw/zinc/94/38/87/601943887.db2.gz MFKLZMBZSYVTLU-HNNXBMFYSA-N -1 0 331.437 3.628 20 0 EHADRM CCCn1nc(C)c(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1C ZINC000237056490 601959010 /nfs/dbraw/zinc/95/90/10/601959010.db2.gz APCGFAGEXJAISK-UHFFFAOYSA-N -1 0 335.791 3.514 20 0 EHADRM O=C([O-])Cc1cccc(NCc2cc(F)cc(Br)c2)c1 ZINC000833268168 601968360 /nfs/dbraw/zinc/96/83/60/601968360.db2.gz GUIKMRWVDYBXIX-UHFFFAOYSA-N -1 0 338.176 3.827 20 0 EHADRM O=C([O-])[C@@H](Nc1ccc2c(c1)OCO2)c1cc(Cl)cc(Cl)c1 ZINC000833171605 601971697 /nfs/dbraw/zinc/97/16/97/601971697.db2.gz ZENWMWFZQLGJFU-AWEZNQCLSA-N -1 0 340.162 3.960 20 0 EHADRM O=C([O-])[C@H](Nc1cccc(CO)c1)c1cc(Cl)cc(Cl)c1 ZINC000833170655 601972042 /nfs/dbraw/zinc/97/20/42/601972042.db2.gz RTICMHFXAZYKGX-CQSZACIVSA-N -1 0 326.179 3.724 20 0 EHADRM COc1ccccc1C(C)=CC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739954707 601978980 /nfs/dbraw/zinc/97/89/80/601978980.db2.gz KQJBLROYHGPCKJ-PKNBQFBNSA-N -1 0 344.342 3.966 20 0 EHADRM CC(C)(CCc1ccccc1)NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736320606 601998280 /nfs/dbraw/zinc/99/82/80/601998280.db2.gz YOQPQDDYIFVNQM-UHFFFAOYSA-N -1 0 326.396 3.918 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000833314866 602008487 /nfs/dbraw/zinc/00/84/87/602008487.db2.gz KWNOHPTYKDJMIB-GHMZBOCLSA-N -1 0 338.331 3.571 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)Nc2cccc(CCC(F)(F)F)c2)C1 ZINC000263134112 602020666 /nfs/dbraw/zinc/02/06/66/602020666.db2.gz YRCHGEHMMUHAJG-HNNXBMFYSA-N -1 0 344.333 3.510 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1cncc(-c2ccc(Cl)cc2)c1)C(=O)[O-] ZINC000236998178 602023831 /nfs/dbraw/zinc/02/38/31/602023831.db2.gz LHYNWPUGNOXROR-ZBEGNZNMSA-N -1 0 346.814 3.631 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)Nc1cc(F)ccc1F ZINC000833152497 602025956 /nfs/dbraw/zinc/02/59/56/602025956.db2.gz DVCNBJXJZFWRAL-AAEUAGOBSA-N -1 0 326.343 3.510 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3CC[C@](C)(C(=O)[O-])C3)c(F)c2)cc1 ZINC000237713879 602030303 /nfs/dbraw/zinc/03/03/03/602030303.db2.gz OSCVQNHHXCTUMI-FQEVSTJZSA-N -1 0 341.382 3.738 20 0 EHADRM CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2cccc(NC(=O)[O-])c2)C1 ZINC000830148829 602033162 /nfs/dbraw/zinc/03/31/62/602033162.db2.gz AFGXUUOCMMDKEV-UONOGXRCSA-N -1 0 337.445 3.914 20 0 EHADRM O=C([O-])c1ccc(OC(=O)COC/C=C\c2ccccc2)c(Cl)c1 ZINC000833114397 602034026 /nfs/dbraw/zinc/03/40/26/602034026.db2.gz MQZVNNWDCJDLAT-DAXSKMNVSA-N -1 0 346.766 3.674 20 0 EHADRM O=C([O-])N1CCC(CC(=O)Nc2cccc(SC(F)F)c2)CC1 ZINC000740348509 602040968 /nfs/dbraw/zinc/04/09/68/602040968.db2.gz DEDDWJHLEPOTCC-UHFFFAOYSA-N -1 0 344.383 3.720 20 0 EHADRM CN(Cc1ccc(NC(=O)N[C@@H]2CCCCC2(C)C)cc1)C(=O)[O-] ZINC000830836513 602042142 /nfs/dbraw/zinc/04/21/42/602042142.db2.gz XIHZONYJFDDLGZ-OAHLLOKOSA-N -1 0 333.432 3.887 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2cc(Cl)ccc2NC2CC2)C1 ZINC000833186746 602047165 /nfs/dbraw/zinc/04/71/65/602047165.db2.gz NWARLYYXKRGESV-WDEREUQCSA-N -1 0 336.819 3.744 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)c1[nH]c2ccccc2c1Cl ZINC000262134121 602050188 /nfs/dbraw/zinc/05/01/88/602050188.db2.gz QYZQXVRJHYSCJK-JSGCOSHPSA-N -1 0 348.830 3.975 20 0 EHADRM CC(C)C1CCC(NC(=O)NCCc2ccc(NC(=O)[O-])cc2)CC1 ZINC000826727377 602052157 /nfs/dbraw/zinc/05/21/57/602052157.db2.gz NIUIHTRLDNDIMB-UHFFFAOYSA-N -1 0 347.459 3.833 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)/C=C\SCc1ccco1)c1ccccc1 ZINC000828595345 602054314 /nfs/dbraw/zinc/05/43/14/602054314.db2.gz WTTVZXGEQNHMAS-UILAEWCASA-N -1 0 345.420 3.923 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000827318317 602059582 /nfs/dbraw/zinc/05/95/82/602059582.db2.gz UMOJOHPPJPLVGE-VIFPVBQESA-N -1 0 336.185 3.652 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2sccc2SC(F)F)c1 ZINC000738624830 602070366 /nfs/dbraw/zinc/07/03/66/602070366.db2.gz HSKODWFAFQFZKP-UHFFFAOYSA-N -1 0 343.376 3.942 20 0 EHADRM Cc1nc(CC(C)C)sc1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000345767456 602073080 /nfs/dbraw/zinc/07/30/80/602073080.db2.gz BUXMHJNTYZNARS-UHFFFAOYSA-N -1 0 332.425 3.529 20 0 EHADRM Cc1ccc(N(C)C(C)C)c(C(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000738279074 602076862 /nfs/dbraw/zinc/07/68/62/602076862.db2.gz BXKVHXMSCNRUCH-UHFFFAOYSA-N -1 0 340.423 3.719 20 0 EHADRM CC(C)[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000826748171 602080213 /nfs/dbraw/zinc/08/02/13/602080213.db2.gz XLNHTMOTUKCLKW-JFIYKMOQSA-N -1 0 329.440 3.659 20 0 EHADRM Cn1nc(C2CCCCC2)cc1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000833060125 602103376 /nfs/dbraw/zinc/10/33/76/602103376.db2.gz RGQZENBXKSVVGD-UHFFFAOYSA-N -1 0 342.399 3.810 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2c[nH]c3ccc(F)cc23)cc1F ZINC000833314980 602105392 /nfs/dbraw/zinc/10/53/92/602105392.db2.gz CCRDMWARHLPXKN-UHFFFAOYSA-N -1 0 331.274 3.501 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000739237979 602107917 /nfs/dbraw/zinc/10/79/17/602107917.db2.gz PSYORURIUKQJGL-ZUZCIYMTSA-N -1 0 347.440 3.739 20 0 EHADRM CN(C(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1)C1CC1 ZINC000830500276 602112693 /nfs/dbraw/zinc/11/26/93/602112693.db2.gz NLMGPLHFIRWPEN-UHFFFAOYSA-N -1 0 340.379 3.590 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2ccc3sccc3c2)cc1 ZINC000354175578 602118995 /nfs/dbraw/zinc/11/89/95/602118995.db2.gz BMIJYEILZUEIEF-UHFFFAOYSA-N -1 0 327.361 3.617 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)c1cc(SC)c(Cl)cc1Cl ZINC000236818840 602121173 /nfs/dbraw/zinc/12/11/73/602121173.db2.gz LWMURAKHCYTQGQ-UHFFFAOYSA-N -1 0 336.240 3.652 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000827311751 602121771 /nfs/dbraw/zinc/12/17/71/602121771.db2.gz WYXCVMQOXKMRGC-JTQLQIEISA-N -1 0 334.759 3.577 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 ZINC000739238004 602133073 /nfs/dbraw/zinc/13/30/73/602133073.db2.gz PVAAMTQSTUPPAT-ZUZCIYMTSA-N -1 0 345.399 3.579 20 0 EHADRM CCC[C@](C)(NC(=O)[O-])C(=O)N[C@H](C)c1ccccc1C(F)(F)F ZINC000739287455 602137367 /nfs/dbraw/zinc/13/73/67/602137367.db2.gz DIYQXIZDODGWIE-BMIGLBTASA-N -1 0 346.349 3.709 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(Oc2ccncc2)c(Cl)c1 ZINC000827310796 602137377 /nfs/dbraw/zinc/13/73/77/602137377.db2.gz MQHCAVYAQLBPPS-JTQLQIEISA-N -1 0 334.759 3.577 20 0 EHADRM Cc1cccc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)c1F ZINC000832963095 602139482 /nfs/dbraw/zinc/13/94/82/602139482.db2.gz KFTAUKAANKFUIH-UHFFFAOYSA-N -1 0 333.384 3.704 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC000827304459 602141155 /nfs/dbraw/zinc/14/11/55/602141155.db2.gz VJDIHQUYGPSPQG-CYBMUJFWSA-N -1 0 341.411 3.579 20 0 EHADRM CC(C)N(C(=O)CCSCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000826924325 602142287 /nfs/dbraw/zinc/14/22/87/602142287.db2.gz BPZNQYCKOGVXOU-UHFFFAOYSA-N -1 0 349.374 3.655 20 0 EHADRM CCN(C(=O)[C@H](C)OC1CCCCCC1)c1ccccc1C(=O)[O-] ZINC000829591211 602148636 /nfs/dbraw/zinc/14/86/36/602148636.db2.gz PEJRPKATPKHOJL-AWEZNQCLSA-N -1 0 333.428 3.866 20 0 EHADRM CC(C)Oc1cncc(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000827065774 602149275 /nfs/dbraw/zinc/14/92/75/602149275.db2.gz CDPOAVCIRMRHCD-OAHLLOKOSA-N -1 0 349.770 3.505 20 0 EHADRM CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1ccc(-c2nc(C)cs2)cc1 ZINC000739301079 602150136 /nfs/dbraw/zinc/15/01/36/602150136.db2.gz JJCQCIXYVBWNLV-QGZVFWFLSA-N -1 0 347.440 3.883 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000827873927 602152302 /nfs/dbraw/zinc/15/23/02/602152302.db2.gz SRUDUMGLCVWBDM-CABCVRRESA-N -1 0 345.439 3.719 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)Nc1nc(-c2cc3ccccc3o2)cs1 ZINC000827325535 602154692 /nfs/dbraw/zinc/15/46/92/602154692.db2.gz VHBQKWRYDRQDKY-SECBINFHSA-N -1 0 330.365 3.606 20 0 EHADRM COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)[C@H](C)CC(=O)[O-] ZINC000832367464 602169176 /nfs/dbraw/zinc/16/91/76/602169176.db2.gz FPEMDVQOILGIDB-BXUZGUMPSA-N -1 0 341.835 3.663 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)c2cc3cc(C)ccc3[nH]2)c1 ZINC000739916948 602171264 /nfs/dbraw/zinc/17/12/64/602171264.db2.gz BSUSXKHMYKFNCD-UHFFFAOYSA-N -1 0 339.351 3.827 20 0 EHADRM CCN(c1ccccc1)c1ccc(CNC(=O)[C@H](C)CC(=O)[O-])cc1 ZINC000829740490 602174504 /nfs/dbraw/zinc/17/45/04/602174504.db2.gz MJLIJSBIUACIHD-OAHLLOKOSA-N -1 0 340.423 3.572 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000740714566 602174706 /nfs/dbraw/zinc/17/47/06/602174706.db2.gz SQHBJXIRDKVTGF-UHFFFAOYSA-N -1 0 327.315 3.578 20 0 EHADRM COc1ccc2cc(C(=O)Nc3ccccc3NC(=O)[O-])[nH]c2c1 ZINC000739938598 602176376 /nfs/dbraw/zinc/17/63/76/602176376.db2.gz SRAGDHFHIPLRPG-UHFFFAOYSA-N -1 0 325.324 3.519 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2c3c(nc4ccccc42)CCC3)c1 ZINC000516529935 602178563 /nfs/dbraw/zinc/17/85/63/602178563.db2.gz MAVWLYSQGDAHGA-UHFFFAOYSA-N -1 0 338.388 3.736 20 0 EHADRM O=C([O-])c1csc(NC(=O)CSc2ccc3c(c2)CCC3)c1 ZINC000573424225 602179720 /nfs/dbraw/zinc/17/97/20/602179720.db2.gz BGCGISGGTBPOPA-UHFFFAOYSA-N -1 0 333.434 3.666 20 0 EHADRM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000191346791 602182118 /nfs/dbraw/zinc/18/21/18/602182118.db2.gz MNVLDHURDLFNOS-UHFFFAOYSA-N -1 0 339.800 3.896 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000562401699 602183673 /nfs/dbraw/zinc/18/36/73/602183673.db2.gz IWMOPYUHEYEZCX-WXHSDQCUSA-N -1 0 325.430 3.759 20 0 EHADRM CCc1cccc2c(CC(=O)Nc3cc(C(=O)[O-])cs3)c[nH]c21 ZINC000191358498 602186593 /nfs/dbraw/zinc/18/65/93/602186593.db2.gz HRGIRAPULIFYQX-UHFFFAOYSA-N -1 0 328.393 3.671 20 0 EHADRM CC(C)Oc1ncc(C(=O)Nc2cc(C(=O)[O-])cs2)cc1Cl ZINC000683329269 602187944 /nfs/dbraw/zinc/18/79/44/602187944.db2.gz LQYALOBGYAGYMI-UHFFFAOYSA-N -1 0 340.788 3.534 20 0 EHADRM Cc1nc(-c2ccccc2)sc1[C@H](C)OC(=O)[C@H](C)CC(=O)[O-] ZINC000832992201 602192955 /nfs/dbraw/zinc/19/29/55/602192955.db2.gz BLJXYTLEXDIBIJ-PWSUYJOCSA-N -1 0 333.409 3.834 20 0 EHADRM Cc1nc(Cc2ccccc2)sc1[C@H](C)OC(=O)[C@H](C)CC(=O)[O-] ZINC000833000222 602194887 /nfs/dbraw/zinc/19/48/87/602194887.db2.gz DTVUGZQORCZNSI-YPMHNXCESA-N -1 0 347.436 3.757 20 0 EHADRM C[C@@H](OC(=O)[C@@H](C)CC(=O)[O-])c1cc(Cl)ccc1OC(F)F ZINC000827325318 602195476 /nfs/dbraw/zinc/19/54/76/602195476.db2.gz RYJFJSHSWVTYNU-JGVFFNPUSA-N -1 0 336.718 3.656 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)CCc2ccc(Cl)s2)c1 ZINC000740675798 602200653 /nfs/dbraw/zinc/20/06/53/602200653.db2.gz INZMWJQUZYRKOM-UHFFFAOYSA-N -1 0 338.816 3.740 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)N[C@H]2CC=CCC2)c2ccccc12 ZINC000833256425 602224642 /nfs/dbraw/zinc/22/46/42/602224642.db2.gz PPLZOHGOXLVESB-ZDUSSCGKSA-N -1 0 340.379 3.533 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)NCCC2CCC2)c2ccccc12 ZINC000833256725 602231610 /nfs/dbraw/zinc/23/16/10/602231610.db2.gz KXMCAESSVNIFQH-UHFFFAOYSA-N -1 0 342.395 3.615 20 0 EHADRM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCO[C@@H](c2cccs2)C1 ZINC000583030249 602232616 /nfs/dbraw/zinc/23/26/16/602232616.db2.gz NDPHHDXRHKRSNY-HIFRSBDPSA-N -1 0 337.828 3.601 20 0 EHADRM CCCC1=C(C(=O)[O-])[C@@H](c2cc3ccccc3s2)NC(=S)N1 ZINC000829245637 602232664 /nfs/dbraw/zinc/23/26/64/602232664.db2.gz NHGKNIWTVZVGQK-CQSZACIVSA-N -1 0 332.450 3.559 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1 ZINC000832945996 602234575 /nfs/dbraw/zinc/23/45/75/602234575.db2.gz CWUPXZDPESNNOU-INIZCTEOSA-N -1 0 326.396 3.969 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000826103739 602235252 /nfs/dbraw/zinc/23/52/52/602235252.db2.gz VWDKDFIHUXOGGA-OAHLLOKOSA-N -1 0 330.359 3.799 20 0 EHADRM Cc1nc(NC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])sc1C ZINC000833004069 602236442 /nfs/dbraw/zinc/23/64/42/602236442.db2.gz QMEUHQYIRUWVSD-ZDUSSCGKSA-N -1 0 347.440 3.734 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)Nc2cc(C(=O)[O-])ccc2C)n1 ZINC000832967138 602236644 /nfs/dbraw/zinc/23/66/44/602236644.db2.gz CJCWAJODOPMPTM-QGZVFWFLSA-N -1 0 339.395 3.766 20 0 EHADRM O=C([O-])CCC(=O)N[C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000579428180 602238886 /nfs/dbraw/zinc/23/88/86/602238886.db2.gz LWEMDAYRQRHSSX-KRWDZBQOSA-N -1 0 335.762 3.550 20 0 EHADRM O=C([O-])CSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1 ZINC000002523583 602240085 /nfs/dbraw/zinc/24/00/85/602240085.db2.gz WMFKMEYUGVYWOJ-UHFFFAOYSA-N -1 0 345.811 3.764 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc(-c2ccco2)s1)c1cccs1 ZINC000833126947 602241389 /nfs/dbraw/zinc/24/13/89/602241389.db2.gz SQLSMZJRZKSWEC-CYBMUJFWSA-N -1 0 333.390 3.625 20 0 EHADRM Cn1c(SCc2ccc(C(=O)[O-])o2)nnc1-c1cccc(Cl)c1 ZINC000833039280 602243995 /nfs/dbraw/zinc/24/39/95/602243995.db2.gz GPPZZQGEKCVPGQ-UHFFFAOYSA-N -1 0 349.799 3.719 20 0 EHADRM O=C([O-])N1CCN(C(=O)c2c(F)cccc2Cl)c2ccccc2C1 ZINC000740526369 602247024 /nfs/dbraw/zinc/24/70/24/602247024.db2.gz MBPYRFIIOOXBRN-UHFFFAOYSA-N -1 0 348.761 3.620 20 0 EHADRM Cc1ccccc1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000237681259 602258743 /nfs/dbraw/zinc/25/87/43/602258743.db2.gz XDBOEKTWWPQMGI-UHFFFAOYSA-N -1 0 335.359 3.864 20 0 EHADRM C[C@@H]1CC/C(=C/C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)C1 ZINC000828208151 602261103 /nfs/dbraw/zinc/26/11/03/602261103.db2.gz ZTDQTWNPUNFEOU-KECPUOCWSA-N -1 0 339.391 3.988 20 0 EHADRM CCCCC[C@@H](NC(=O)N1CC[C@H](CNC(=O)[O-])C1)c1ccccc1 ZINC000739330179 602261322 /nfs/dbraw/zinc/26/13/22/602261322.db2.gz LHSFKJCUWOMYNO-NVXWUHKLSA-N -1 0 347.459 3.607 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)c1cc(C(F)(F)F)ccc1F ZINC000833026135 602264207 /nfs/dbraw/zinc/26/42/07/602264207.db2.gz XBPSZLDCFUACSU-UHFFFAOYSA-N -1 0 346.232 3.801 20 0 EHADRM CC(C)CCN(C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])C1CC1 ZINC000738819954 602275145 /nfs/dbraw/zinc/27/51/45/602275145.db2.gz WXTSBJUKVNUFNW-UHFFFAOYSA-N -1 0 331.416 3.770 20 0 EHADRM CCc1ccc(-c2nc(COC(=O)[C@@H](C)CC(=O)[O-])cs2)cc1 ZINC000830228889 602276015 /nfs/dbraw/zinc/27/60/15/602276015.db2.gz GTNNFTKXGTZHDL-NSHDSACASA-N -1 0 333.409 3.527 20 0 EHADRM CN(Cc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739709745 602281152 /nfs/dbraw/zinc/28/11/52/602281152.db2.gz LGNIXQNXAQIJSO-UHFFFAOYSA-N -1 0 343.358 3.530 20 0 EHADRM Cc1ccccc1[C@@H](C)NC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000740185721 602281721 /nfs/dbraw/zinc/28/17/21/602281721.db2.gz WGJQBDYIIUSATP-CYBMUJFWSA-N -1 0 339.395 3.918 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@@H](c2ccccc2)c2cccnc2)cc1 ZINC000738662071 602296054 /nfs/dbraw/zinc/29/60/54/602296054.db2.gz RECWCKNDEJKIMF-SFHVURJKSA-N -1 0 347.374 3.691 20 0 EHADRM C[C@H](CCNC(=O)Nc1ccc(SC(C)(C)C)cc1)NC(=O)[O-] ZINC000738902365 602300810 /nfs/dbraw/zinc/30/08/10/602300810.db2.gz SAXSDOURUROZMB-LLVKDONJSA-N -1 0 339.461 3.745 20 0 EHADRM Cc1c(Cl)cccc1NC(=O)CNc1ccc(C(=O)[O-])c(F)c1 ZINC000832854597 602303620 /nfs/dbraw/zinc/30/36/20/602303620.db2.gz MKLSQUMNFAVEBA-UHFFFAOYSA-N -1 0 336.750 3.536 20 0 EHADRM CC(C)C[C@H](C)N(C(=O)CCNC(=O)[O-])c1ccc2[nH]ccc2c1 ZINC000736403967 602304946 /nfs/dbraw/zinc/30/49/46/602304946.db2.gz MFENBDMABFEXRG-ZDUSSCGKSA-N -1 0 331.416 3.593 20 0 EHADRM O=C([O-])c1ccc(NCC(=O)Nc2cccc3ccccc32)cc1F ZINC000833110082 602305691 /nfs/dbraw/zinc/30/56/91/602305691.db2.gz AUNMGSMBZWDSHE-UHFFFAOYSA-N -1 0 338.338 3.728 20 0 EHADRM O=C([O-])N1CCC(N(C(=O)c2cccc3ccccc32)C2CC2)CC1 ZINC000740499730 602309614 /nfs/dbraw/zinc/30/96/14/602309614.db2.gz ILPKOPHAMFUENJ-UHFFFAOYSA-N -1 0 338.407 3.587 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)C[C@H]2CC[C@H](C)C2)cc1 ZINC000832777565 602311724 /nfs/dbraw/zinc/31/17/24/602311724.db2.gz SFGHBUYQOLUIGM-XEZPLFJOSA-N -1 0 335.469 3.867 20 0 EHADRM O=C([O-])NC1CCC(C(=O)Nc2ccc(SC(F)F)cc2)CC1 ZINC000740557150 602327316 /nfs/dbraw/zinc/32/73/16/602327316.db2.gz HUCFOPJGBAGPHQ-UHFFFAOYSA-N -1 0 344.383 3.766 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000828901153 602329576 /nfs/dbraw/zinc/32/95/76/602329576.db2.gz QGWDJKRPQWDMQF-INIZCTEOSA-N -1 0 342.439 3.813 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N(C)c2ncc(C(=O)[O-])s2)cc1 ZINC000827117591 602329950 /nfs/dbraw/zinc/32/99/50/602329950.db2.gz DPXVTQQMJCAQPG-UONOGXRCSA-N -1 0 344.436 3.731 20 0 EHADRM CN(C(=O)c1cc2cc(Cl)ccc2o1)c1ncc(C(=O)[O-])s1 ZINC000830524061 602336294 /nfs/dbraw/zinc/33/62/94/602336294.db2.gz SMXOMNBAJFGAAS-UHFFFAOYSA-N -1 0 336.756 3.518 20 0 EHADRM C[C@H](NC(=O)[C@H](NC(=O)[O-])c1ccccc1)c1ccccc1Cl ZINC000739023012 602340863 /nfs/dbraw/zinc/34/08/63/602340863.db2.gz WYLUKBOFJAUJRS-XHDPSFHLSA-N -1 0 332.787 3.526 20 0 EHADRM CC(C)c1cccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)n1 ZINC000827134252 602344224 /nfs/dbraw/zinc/34/42/24/602344224.db2.gz NLJZCUCJESZLSE-OAHLLOKOSA-N -1 0 333.771 3.841 20 0 EHADRM O=C([O-])c1ccc(NC(=O)/C=C/c2nc3ccccc3s2)cc1F ZINC000767200746 602353404 /nfs/dbraw/zinc/35/34/04/602353404.db2.gz VEMFBEAEBPMBBS-BQYQJAHWSA-N -1 0 342.351 3.786 20 0 EHADRM CC(C)c1ccc([C@@H](CNC(=O)c2ccsc2)NC(=O)[O-])cc1 ZINC000738882649 602361389 /nfs/dbraw/zinc/36/13/89/602361389.db2.gz NEABOICRACUOOM-OAHLLOKOSA-N -1 0 332.425 3.610 20 0 EHADRM CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000829032702 602382743 /nfs/dbraw/zinc/38/27/43/602382743.db2.gz ALBKPWUKTHYOSP-INIZCTEOSA-N -1 0 345.374 3.924 20 0 EHADRM CCC[C@@H](NC(=O)[O-])C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000739319759 602389151 /nfs/dbraw/zinc/38/91/51/602389151.db2.gz APBXBBOHHZPLKV-LLVKDONJSA-N -1 0 333.388 3.500 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(C(=O)[O-])c(F)c1)Cc1cccs1 ZINC000827486725 602390649 /nfs/dbraw/zinc/39/06/49/602390649.db2.gz SVABIHHRILQHLQ-JTQLQIEISA-N -1 0 336.388 3.586 20 0 EHADRM Cc1ccc(CC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c(Cl)c1 ZINC000832928671 602397136 /nfs/dbraw/zinc/39/71/36/602397136.db2.gz HNYNISZJZFKVJB-UHFFFAOYSA-N -1 0 339.725 3.806 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc3[nH]c(C(F)F)nc3c2)cc1F ZINC000767206056 602403154 /nfs/dbraw/zinc/40/31/54/602403154.db2.gz LKTJUJPOYJZHIH-UHFFFAOYSA-N -1 0 349.268 3.590 20 0 EHADRM O=C([O-])NC1(c2noc(-c3[nH]c4ccccc4c3Cl)n2)CCC1 ZINC000740549118 602416848 /nfs/dbraw/zinc/41/68/48/602416848.db2.gz XTOVUSACNHHTTN-UHFFFAOYSA-N -1 0 332.747 3.518 20 0 EHADRM C[C@H](Oc1ccccc1Cl)c1nc(C2(NC(=O)[O-])CCC2)no1 ZINC000739056324 602417087 /nfs/dbraw/zinc/41/70/87/602417087.db2.gz SBKYIGDIXVRTMH-VIFPVBQESA-N -1 0 337.763 3.510 20 0 EHADRM O=C([O-])Nc1ccc(NC(=S)NCCSc2ccccc2)cc1 ZINC000740713418 602431971 /nfs/dbraw/zinc/43/19/71/602431971.db2.gz VOXCDJUYJKYIDH-UHFFFAOYSA-N -1 0 347.465 3.855 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)N2CCC[C@@H]2c2ccsc2)c1 ZINC000740676116 602452959 /nfs/dbraw/zinc/45/29/59/602452959.db2.gz MGTNDRCYGDMGIM-OAHLLOKOSA-N -1 0 345.424 3.885 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)NCc1ccccc1Cl)c1ccccc1 ZINC000740539860 602453972 /nfs/dbraw/zinc/45/39/72/602453972.db2.gz QQYWZCBHOHCTMJ-MRXNPFEDSA-N -1 0 346.814 3.745 20 0 EHADRM C[C@H](Cc1cccs1)NC(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000738949333 602457697 /nfs/dbraw/zinc/45/76/97/602457697.db2.gz NIMSXCPOHAYEFC-CZUORRHYSA-N -1 0 346.452 3.584 20 0 EHADRM CN(Cc1ccccc1NC(=O)c1ccnc2ccccc21)C(=O)[O-] ZINC000739718710 602460691 /nfs/dbraw/zinc/46/06/91/602460691.db2.gz USGWTUWKSCIWBE-UHFFFAOYSA-N -1 0 335.363 3.597 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000738951010 602462150 /nfs/dbraw/zinc/46/21/50/602462150.db2.gz NIZZZOHMVXSREB-LLVKDONJSA-N -1 0 331.397 3.538 20 0 EHADRM COc1cc(C)ccc1NC(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000739857418 602462444 /nfs/dbraw/zinc/46/24/44/602462444.db2.gz RCUUBCARNLMJTQ-OAHLLOKOSA-N -1 0 342.395 3.731 20 0 EHADRM O=C([O-])N1CCC(CC(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)CC1 ZINC000740346762 602476750 /nfs/dbraw/zinc/47/67/50/602476750.db2.gz QSLFTWLBRUMCMS-GOSISDBHSA-N -1 0 348.418 3.563 20 0 EHADRM O=C([O-])NCCC(=O)N[C@@H](c1ccccc1)c1cccc2ccccc21 ZINC000738657929 602481660 /nfs/dbraw/zinc/48/16/60/602481660.db2.gz RYYMRALGCUCZNY-FQEVSTJZSA-N -1 0 348.402 3.703 20 0 EHADRM Cc1cc(NC(=O)c2ccc(F)c(NC(=O)[O-])c2)ccc1N(C)C ZINC000740086580 602484294 /nfs/dbraw/zinc/48/42/94/602484294.db2.gz OJIXGXZASXNOLW-UHFFFAOYSA-N -1 0 331.347 3.542 20 0 EHADRM CCCOc1ccc(CNC(=O)c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000739362694 602484562 /nfs/dbraw/zinc/48/45/62/602484562.db2.gz DZTYSEMGBJEGBL-UHFFFAOYSA-N -1 0 346.358 3.634 20 0 EHADRM COc1ccc(NC(=O)c2sccc2SC)cc1NC(=O)[O-] ZINC000739918520 602484922 /nfs/dbraw/zinc/48/49/22/602484922.db2.gz LMZMTVWCVITSDE-UHFFFAOYSA-N -1 0 338.410 3.821 20 0 EHADRM CCc1cccc2c1N(C(=O)c1ccc(F)c(NC(=O)[O-])c1)CC2 ZINC000739548354 602486759 /nfs/dbraw/zinc/48/67/59/602486759.db2.gz QLLKWDTVMDFLQS-UHFFFAOYSA-N -1 0 328.343 3.681 20 0 EHADRM O=C([O-])Nc1cc(C(=O)NCCc2ccccc2Cl)ccc1F ZINC000740696474 602487399 /nfs/dbraw/zinc/48/73/99/602487399.db2.gz SUCJJBSTAPTKLK-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CC[C@H](c3ccccc3F)C2)ccc1F ZINC000740692533 602490364 /nfs/dbraw/zinc/49/03/64/602490364.db2.gz DSIAOKWZEKBTAI-LBPRGKRZSA-N -1 0 346.333 3.684 20 0 EHADRM O=C([O-])Nc1cc(C(=O)NC2CC(c3ccccc3)C2)ccc1F ZINC000740697596 602513518 /nfs/dbraw/zinc/51/35/18/602513518.db2.gz XLPUHKAYLJZRJG-UHFFFAOYSA-N -1 0 328.343 3.592 20 0 EHADRM CCCN(C(=O)c1csc2ccccc12)[C@H]1CCN(C(=O)[O-])C1 ZINC000739344828 602514548 /nfs/dbraw/zinc/51/45/48/602514548.db2.gz KJEAKIXAQVNMMB-LBPRGKRZSA-N -1 0 332.425 3.506 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000740027166 602522327 /nfs/dbraw/zinc/52/23/27/602522327.db2.gz MZPIJVLZTDJCGF-AWEZNQCLSA-N -1 0 328.343 3.545 20 0 EHADRM O=C([O-])NC[C@H](NC(=O)c1sccc1C1CC1)C1CCCCC1 ZINC000740610544 602541207 /nfs/dbraw/zinc/54/12/07/602541207.db2.gz HAJHGARHMRPLHW-AWEZNQCLSA-N -1 0 336.457 3.572 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CCC[C@H]2c2ccc(O)cc2)ccc1F ZINC000740692551 602547150 /nfs/dbraw/zinc/54/71/50/602547150.db2.gz DWDBNFILAVATTG-INIZCTEOSA-N -1 0 344.342 3.599 20 0 EHADRM CC(C)CCc1ccc(NC(=O)N2CCC(N(C)C(=O)[O-])CC2)cc1 ZINC000737623184 602560071 /nfs/dbraw/zinc/56/00/71/602560071.db2.gz LMDFCSJYORTOKH-UHFFFAOYSA-N -1 0 347.459 3.881 20 0 EHADRM CC(C)C[C@@H](NC(=O)N1CCC(N(C)C(=O)[O-])CC1)c1ccccc1 ZINC000737623932 602560951 /nfs/dbraw/zinc/56/09/51/602560951.db2.gz WXPPCZCPRYAHCZ-QGZVFWFLSA-N -1 0 347.459 3.558 20 0 EHADRM Cc1ccc(F)cc1NC(=O)N1CCC[C@H]([C@H]2CCCN2C(=O)[O-])C1 ZINC000740128854 602581082 /nfs/dbraw/zinc/58/10/82/602581082.db2.gz BYEZOYNBDKAEMC-XJKSGUPXSA-N -1 0 349.406 3.520 20 0 EHADRM Cc1cccc(C)c1NC(=O)N1CCC[C@@H]([C@H]2CCCN2C(=O)[O-])C1 ZINC000740165621 602581588 /nfs/dbraw/zinc/58/15/88/602581588.db2.gz GKMYHLQDUMSMEZ-HZPDHXFCSA-N -1 0 345.443 3.690 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)N(C)[C@@H](C)CNC(=O)[O-] ZINC000739540812 602597243 /nfs/dbraw/zinc/59/72/43/602597243.db2.gz BKMMPVNCOPGGKQ-JTQLQIEISA-N -1 0 341.839 3.585 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NCCCOc2ccc(F)cc2)cc1 ZINC000740711337 602601419 /nfs/dbraw/zinc/60/14/19/602601419.db2.gz ZTIISJHAFBGUTN-UHFFFAOYSA-N -1 0 347.346 3.506 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(NC(=O)[O-])cc1)c1cc(F)ccc1F ZINC000738978955 602602741 /nfs/dbraw/zinc/60/27/41/602602741.db2.gz DWJHZOBVXXWNQC-VIFPVBQESA-N -1 0 335.310 3.937 20 0 EHADRM O=C([O-])N1CCC[C@@H](CCNC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000740424688 602633849 /nfs/dbraw/zinc/63/38/49/602633849.db2.gz MAKSRAKPRFIDNM-JTQLQIEISA-N -1 0 345.226 3.503 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)Nc1cc(F)ccc1F)c1ccccc1 ZINC000740540085 602643183 /nfs/dbraw/zinc/64/31/83/602643183.db2.gz MJSHWZWQVWAOBR-CQSZACIVSA-N -1 0 334.322 3.692 20 0 EHADRM Cc1ccc(C)c(-c2csc(CN3CCC(NC(=O)[O-])CC3)n2)c1 ZINC000740118761 602650510 /nfs/dbraw/zinc/65/05/10/602650510.db2.gz XLUUEEYZTNGYBZ-UHFFFAOYSA-N -1 0 345.468 3.659 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)[C@@H](C)Cc2ccccc2)c1 ZINC000739922147 602656902 /nfs/dbraw/zinc/65/69/02/602656902.db2.gz QBMHRUGRRJWVCO-LBPRGKRZSA-N -1 0 328.368 3.602 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)OCc1ccnc(Cl)c1)c1ccccc1 ZINC000740539655 602657531 /nfs/dbraw/zinc/65/75/31/602657531.db2.gz KWXCIWMWZCDFQW-AWEZNQCLSA-N -1 0 348.786 3.567 20 0 EHADRM Cc1ccccc1[C@@H](CC(C)C)NC(=O)NC1CCN(C(=O)[O-])CC1 ZINC000738322510 602719045 /nfs/dbraw/zinc/71/90/45/602719045.db2.gz VBCGWUVLWMCFHW-QGZVFWFLSA-N -1 0 347.459 3.524 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)Oc1cccc(CNC(=O)[O-])c1 ZINC000739053338 602729041 /nfs/dbraw/zinc/72/90/41/602729041.db2.gz CKHUHDFBQCMBRN-CYBMUJFWSA-N -1 0 345.420 3.682 20 0 EHADRM Cc1nc2ccccc2cc1C(=O)Oc1cccc(CNC(=O)[O-])c1 ZINC000740233482 602729159 /nfs/dbraw/zinc/72/91/59/602729159.db2.gz XHBGXDXAVLUJAS-UHFFFAOYSA-N -1 0 336.347 3.530 20 0 EHADRM Cc1nc2c(s1)[C@@H](OC(=O)c1ccc(NC(=O)[O-])cc1)CCC2 ZINC000738366271 602748818 /nfs/dbraw/zinc/74/88/18/602748818.db2.gz XHCMRWBRTBKKTG-ZDUSSCGKSA-N -1 0 332.381 3.776 20 0 EHADRM CC(C)(CCC(=O)Nc1cnccc1Oc1ccccc1)NC(=O)[O-] ZINC000738745688 602798459 /nfs/dbraw/zinc/79/84/59/602798459.db2.gz ZIAOSXDGFDMFBE-UHFFFAOYSA-N -1 0 343.383 3.639 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N[C@@H](C)[C@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000739544582 602801586 /nfs/dbraw/zinc/80/15/86/602801586.db2.gz JLODLWMJGUEXNY-VKJFTORMSA-N -1 0 346.471 3.637 20 0 EHADRM Cc1cc2cc(C(=O)N[C@H](C)[C@H]3CCCN(C(=O)[O-])C3)oc2cc1C ZINC000830143603 602802084 /nfs/dbraw/zinc/80/20/84/602802084.db2.gz KDVDYDMITZRTNX-KGLIPLIRSA-N -1 0 344.411 3.558 20 0 EHADRM C[C@@H](C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2)c1ccsc1 ZINC000738633250 602806675 /nfs/dbraw/zinc/80/66/75/602806675.db2.gz XHMSFQFMTMNWSD-LLVKDONJSA-N -1 0 330.409 3.526 20 0 EHADRM CC(C)c1ccc([C@H](C)NC(=O)N2CC[C@H](NC(=O)[O-])[C@@H](C)C2)cc1 ZINC000738879143 602812107 /nfs/dbraw/zinc/81/21/07/602812107.db2.gz TWELUHOFLATDRS-ZQIUZPCESA-N -1 0 347.459 3.559 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)NC2CCN(C(=O)[O-])CC2)cc1 ZINC000736512617 602822909 /nfs/dbraw/zinc/82/29/09/602822909.db2.gz KATYZUCNNKGRFR-CQSZACIVSA-N -1 0 332.444 3.562 20 0 EHADRM Cc1cccc(N(C)C(=O)[C@H](C)[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000830506279 602823799 /nfs/dbraw/zinc/82/37/99/602823799.db2.gz YHAVDMNCDBTCGO-PBHICJAKSA-N -1 0 326.396 3.603 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)N2CC[C@H](CN(C)C(=O)[O-])C2)cc1 ZINC000738879488 602833302 /nfs/dbraw/zinc/83/33/02/602833302.db2.gz VSKNPERBLMONGE-JKSUJKDBSA-N -1 0 346.471 3.762 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN(C(=O)c2ccc(NC(=O)[O-])cc2)C1 ZINC000736743518 602855074 /nfs/dbraw/zinc/85/50/74/602855074.db2.gz ZSKGBGMCEOHZBS-HXUWFJFHSA-N -1 0 338.407 3.970 20 0 EHADRM CCCCCC[C@H](C)C(=O)N1CCC[C@H]([C@@H]2CCCN2C(=O)[O-])C1 ZINC000739333536 602875195 /nfs/dbraw/zinc/87/51/95/602875195.db2.gz YABFAVYLXYIAEX-ULQDDVLXSA-N -1 0 338.492 3.974 20 0 EHADRM CC(C)(C)[C@H]1CCCN(C(=O)c2ccc(CNC(=O)[O-])cc2)CC1 ZINC000738676537 602879827 /nfs/dbraw/zinc/87/98/27/602879827.db2.gz RYJSXNTYLYYOGR-INIZCTEOSA-N -1 0 332.444 3.743 20 0 EHADRM COc1ccc(NC(=O)N2CCC3(CCCC3)CC2)cc1NC(=O)[O-] ZINC000739917071 602898642 /nfs/dbraw/zinc/89/86/42/602898642.db2.gz AOFALENSARCLHA-UHFFFAOYSA-N -1 0 347.415 3.973 20 0 EHADRM Cc1ccc([C@@H](C)CNC(=O)Nc2cccc(CNC(=O)[O-])c2)cc1 ZINC000740108851 602902029 /nfs/dbraw/zinc/90/20/29/602902029.db2.gz FEFBIHUCXZNTQX-AWEZNQCLSA-N -1 0 341.411 3.688 20 0 EHADRM Cc1cc(C)cc(CCNC(=O)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000738223051 602920855 /nfs/dbraw/zinc/92/08/55/602920855.db2.gz VJWZHFKCLSEPAN-UHFFFAOYSA-N -1 0 327.384 3.758 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCC[C@@H]1NC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000738963892 602936480 /nfs/dbraw/zinc/93/64/80/602936480.db2.gz YQDPYGCSNZPPJS-FWDPORAESA-N -1 0 345.226 3.607 20 0 EHADRM C[C@H](Cc1nc(C2(NC(=O)[O-])CCCC2)no1)c1cccc(F)c1 ZINC000738943777 602950266 /nfs/dbraw/zinc/95/02/66/602950266.db2.gz HMHPOAGRXSNNDD-LLVKDONJSA-N -1 0 333.363 3.592 20 0 EHADRM COc1ccc2nc(C(=O)Oc3ccc(NC(=O)[O-])cc3)ccc2c1 ZINC000738114172 602957459 /nfs/dbraw/zinc/95/74/59/602957459.db2.gz KHESEZMSTUFCNJ-UHFFFAOYSA-N -1 0 338.319 3.553 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)c2cc(Br)cs2)cc1 ZINC000738670305 602958189 /nfs/dbraw/zinc/95/81/89/602958189.db2.gz PIBWAADZUVVQTP-UHFFFAOYSA-N -1 0 342.170 3.820 20 0 EHADRM CC(C)OCc1ccc(C(=O)Oc2ccc(NC(=O)[O-])cc2)cc1 ZINC000737644846 602962118 /nfs/dbraw/zinc/96/21/18/602962118.db2.gz SUVDFNMGGNGNIX-UHFFFAOYSA-N -1 0 329.352 3.921 20 0 EHADRM Cc1ccc(C(=O)NC(C)(C)c2cccc(F)c2)cc1NC(=O)[O-] ZINC000830205233 602968017 /nfs/dbraw/zinc/96/80/17/602968017.db2.gz NKNSIFAHZSPYNX-UHFFFAOYSA-N -1 0 330.359 3.889 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)OCC2(C(F)(F)F)CC2)c(Cl)c1 ZINC000740701013 602972140 /nfs/dbraw/zinc/97/21/40/602972140.db2.gz GYYPMZRXXAKJLZ-UHFFFAOYSA-N -1 0 337.681 3.929 20 0 EHADRM COc1ccc(-c2noc(-c3ccc(NC(=O)[O-])cc3Cl)n2)cn1 ZINC000739885443 602972851 /nfs/dbraw/zinc/97/28/51/602972851.db2.gz ZPKDPZJJBJMGHZ-UHFFFAOYSA-N -1 0 346.730 3.551 20 0 EHADRM Cc1ccc([C@H]2CCCCCN2C(=O)C[C@@H]2CCCN2C(=O)[O-])o1 ZINC000830284033 602975632 /nfs/dbraw/zinc/97/56/32/602975632.db2.gz YPYDWLACJVFSQY-LSDHHAIUSA-N -1 0 334.416 3.564 20 0 EHADRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)c1ccccc1SC(C)C ZINC000738809442 602996970 /nfs/dbraw/zinc/99/69/70/602996970.db2.gz NMWNNCIEMUYOFD-ZDUSSCGKSA-N -1 0 338.473 3.599 20 0 EHADRM Cc1ccc2cccc(C(=O)Oc3cccc(CNC(=O)[O-])c3)c2n1 ZINC000740152152 603002958 /nfs/dbraw/zinc/00/29/58/603002958.db2.gz CJPPNGPNINMLAY-UHFFFAOYSA-N -1 0 336.347 3.530 20 0 EHADRM CCc1ccc([C@H]2CCCCCN2C(=O)CC(C)(C)NC(=O)[O-])o1 ZINC000739543515 603008653 /nfs/dbraw/zinc/00/86/53/603008653.db2.gz NXHVGMSXYOYMRJ-CQSZACIVSA-N -1 0 336.432 3.722 20 0 EHADRM CC(C)[C@H](C(=O)NC[C@H](NC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000824057438 603010373 /nfs/dbraw/zinc/01/03/73/603010373.db2.gz RJLDLUYONLMURL-ROUUACIJSA-N -1 0 340.423 3.551 20 0 EHADRM COc1ccc2oc(-c3nc([C@H](C)CN(C)C(=O)[O-])no3)c(C)c2c1 ZINC000739939232 603013090 /nfs/dbraw/zinc/01/30/90/603013090.db2.gz BEDKRFPVQIITLX-SECBINFHSA-N -1 0 345.355 3.513 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)NC1CCN(C(=O)[O-])CC1 ZINC000736343601 603016588 /nfs/dbraw/zinc/01/65/88/603016588.db2.gz KNRVZMNDCHQWLN-UHFFFAOYSA-N -1 0 348.468 3.617 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc(-c2ccc(F)c(C(F)(F)F)c2)n1 ZINC000738911364 603018798 /nfs/dbraw/zinc/01/87/98/603018798.db2.gz TVFHWAXWCKWXQT-SSDOTTSWSA-N -1 0 347.268 3.608 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NCC(=O)Nc2cccc(Cl)c2)c1 ZINC000740703328 603020445 /nfs/dbraw/zinc/02/04/45/603020445.db2.gz LQYJCXZVOLWTNC-UHFFFAOYSA-N -1 0 337.738 3.620 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N(CCc2cccc(F)c2)C2CC2)cc1 ZINC000738661181 603025798 /nfs/dbraw/zinc/02/57/98/603025798.db2.gz JXDIAGGIWNNGNE-UHFFFAOYSA-N -1 0 342.370 3.763 20 0 EHADRM CCC[C@](C)(NC(=O)[O-])C(=O)Nc1cccc(NC2CCCC2)c1 ZINC000739292837 603027968 /nfs/dbraw/zinc/02/79/68/603027968.db2.gz AZFIBZFAZMULIJ-SFHVURJKSA-N -1 0 333.432 3.806 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N[C@@H]2CCc3ccccc3C2)c1 ZINC000740706361 603035456 /nfs/dbraw/zinc/03/54/56/603035456.db2.gz JXQSNSDTIUDNJX-CYBMUJFWSA-N -1 0 343.358 3.595 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)NCc2cccc(Cl)c2)c1 ZINC000740703973 603035530 /nfs/dbraw/zinc/03/55/30/603035530.db2.gz FWZYHIMFDWBMBU-UHFFFAOYSA-N -1 0 337.738 3.891 20 0 EHADRM CC(C)n1cc([C@@H](C)NC(=O)Nc2cc(NC(=O)[O-])ccc2F)cn1 ZINC000738991707 603036177 /nfs/dbraw/zinc/03/61/77/603036177.db2.gz VLDBOPMEWXJTKY-SNVBAGLBSA-N -1 0 349.366 3.576 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)c2cc3cc(F)ccc3o2)cc1 ZINC000827914189 603039483 /nfs/dbraw/zinc/03/94/83/603039483.db2.gz GXHUWWDPIKJSLY-UHFFFAOYSA-N -1 0 329.283 3.905 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)NC/C=C/c2ccccc2)c1 ZINC000740707076 603039955 /nfs/dbraw/zinc/03/99/55/603039955.db2.gz MJDFAWJOFTXAJH-QPJJXVBHSA-N -1 0 329.331 3.751 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)cc1 ZINC000827898978 603047634 /nfs/dbraw/zinc/04/76/34/603047634.db2.gz BUOLMRGVEPQTMS-DZGCQCFKSA-N -1 0 347.317 3.788 20 0 EHADRM COc1cccc2cc(C(=O)Oc3ccc(N(C)C(=O)[O-])cc3)oc21 ZINC000829580670 603048816 /nfs/dbraw/zinc/04/88/16/603048816.db2.gz JQRRUJWISVKENM-UHFFFAOYSA-N -1 0 341.319 3.775 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)[C@H]2CSc3ccccc32)c1 ZINC000740707445 603054117 /nfs/dbraw/zinc/05/41/17/603054117.db2.gz QIRUZDMVNNSGHX-NSHDSACASA-N -1 0 332.356 3.744 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2ccccc2OC2CCC2)cc1 ZINC000738666354 603054172 /nfs/dbraw/zinc/05/41/72/603054172.db2.gz FJJASBFDVUGMCO-UHFFFAOYSA-N -1 0 326.352 3.960 20 0 EHADRM CC(C)Nc1cc(F)ccc1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000736484198 603055518 /nfs/dbraw/zinc/05/55/18/603055518.db2.gz VGMUBOGOYAEATF-UHFFFAOYSA-N -1 0 331.347 3.988 20 0 EHADRM CCc1ccc([C@H]2CCCCCN2C(=O)CCCN(C)C(=O)[O-])o1 ZINC000737259777 603059515 /nfs/dbraw/zinc/05/95/15/603059515.db2.gz XNTXCXZJAADZMG-OAHLLOKOSA-N -1 0 336.432 3.676 20 0 EHADRM Cc1ccc(NC(=O)[C@@H](CNC(=O)[O-])c2ccccc2)c(Cl)c1 ZINC000740137283 603078506 /nfs/dbraw/zinc/07/85/06/603078506.db2.gz XVRHLJYOVCKPSR-ZDUSSCGKSA-N -1 0 332.787 3.638 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)N1CCC[C@H](CN(C)C(=O)[O-])C1 ZINC000739256818 603107769 /nfs/dbraw/zinc/10/77/69/603107769.db2.gz AAKFSDYVQWCWMF-IAGOWNOFSA-N -1 0 338.492 3.831 20 0 EHADRM CCN(Cc1cccc(NC(=O)NCc2ccc(C)s2)c1)C(=O)[O-] ZINC000739445778 603143001 /nfs/dbraw/zinc/14/30/01/603143001.db2.gz HCEMILDTUZVYBU-UHFFFAOYSA-N -1 0 347.440 3.878 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000740576356 603149233 /nfs/dbraw/zinc/14/92/33/603149233.db2.gz UCKIRSREVIQMOD-WCBMZHEXSA-N -1 0 331.199 3.758 20 0 EHADRM C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)c2ccccc2S1 ZINC000739114427 603159798 /nfs/dbraw/zinc/15/97/98/603159798.db2.gz WMQKMADNVRXXEV-MCIONIFRSA-N -1 0 348.468 3.730 20 0 EHADRM CSCCCC(=O)Nc1cc(C(F)(F)F)ccc1NC(=O)[O-] ZINC000740010473 603175535 /nfs/dbraw/zinc/17/55/35/603175535.db2.gz RHKAFJAVCXYSHF-UHFFFAOYSA-N -1 0 336.335 3.877 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)Cc2ccc3c(c2)CCC3)cc1 ZINC000825424005 603179422 /nfs/dbraw/zinc/17/94/22/603179422.db2.gz YLAUHIMBPHKHQT-CYBMUJFWSA-N -1 0 338.407 3.685 20 0 EHADRM Cc1ccc(CN(C(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)C(C)C)s1 ZINC000740122624 603181856 /nfs/dbraw/zinc/18/18/56/603181856.db2.gz QTHWFAABUIPUQG-KBPBESRZSA-N -1 0 338.473 3.620 20 0 EHADRM O=C([O-])N1CCc2c(cccc2NC(=O)c2ccc(F)cc2Cl)C1 ZINC000740474936 603182143 /nfs/dbraw/zinc/18/21/43/603182143.db2.gz YPBRMYSHHGWTMU-UHFFFAOYSA-N -1 0 348.761 3.768 20 0 EHADRM COc1ccc(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)c(C)c1 ZINC000829283902 603185301 /nfs/dbraw/zinc/18/53/01/603185301.db2.gz AKRRLIDPIDDIKD-LBPRGKRZSA-N -1 0 328.368 3.585 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000825022333 603190707 /nfs/dbraw/zinc/19/07/07/603190707.db2.gz DQEDXACGRXZRHY-CHWSQXEVSA-N -1 0 344.386 3.972 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2cc(Cl)c(Cl)[nH]2)cc1 ZINC000825442576 603191435 /nfs/dbraw/zinc/19/14/35/603191435.db2.gz KMFOZUZXFUTRMF-ZETCQYMHSA-N -1 0 342.182 3.902 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1 ZINC000825442875 603191833 /nfs/dbraw/zinc/19/18/33/603191833.db2.gz SAOWFZUMMVUIMQ-JTQLQIEISA-N -1 0 341.342 3.888 20 0 EHADRM Cc1ccc(C)c(CC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)c1 ZINC000830268117 603192140 /nfs/dbraw/zinc/19/21/40/603192140.db2.gz KKWNPIORDHNEKG-AWEZNQCLSA-N -1 0 326.396 3.813 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)Nc2ccc(F)cc2C(F)(F)F)C1 ZINC000740572367 603194060 /nfs/dbraw/zinc/19/40/60/603194060.db2.gz LPWSFNNJEDAJQC-WCBMZHEXSA-N -1 0 348.296 3.609 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)[C@@H](C)Oc2ccccc2F)cc1 ZINC000825619547 603195612 /nfs/dbraw/zinc/19/56/12/603195612.db2.gz ZZBKDPKEHSVZIS-VXGBXAGGSA-N -1 0 346.358 3.560 20 0 EHADRM CN(C)c1ccc(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)cc1 ZINC000739618125 603199150 /nfs/dbraw/zinc/19/91/50/603199150.db2.gz SNPWVYMXQCWSCX-UHFFFAOYSA-N -1 0 333.775 3.748 20 0 EHADRM CC(=O)Nc1ccc(OC(=O)c2ccc(NC(=O)[O-])cc2Cl)cc1 ZINC000738571475 603202252 /nfs/dbraw/zinc/20/22/52/603202252.db2.gz GKHMZOXZKKVULT-UHFFFAOYSA-N -1 0 348.742 3.608 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@@H]2CCOc3ccccc32)c(Cl)c1 ZINC000740697002 603207257 /nfs/dbraw/zinc/20/72/57/603207257.db2.gz DIXLAXTYYJTRCT-CQSZACIVSA-N -1 0 346.770 3.684 20 0 EHADRM CCO[C@H]1C[C@@H](NC(=O)c2ccc(C)c(NC(=O)[O-])c2)C12CCCC2 ZINC000827381249 603211712 /nfs/dbraw/zinc/21/17/12/603211712.db2.gz QWCSPMVURYSITD-CVEARBPZSA-N -1 0 346.427 3.553 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2ccc3c(c2)CCO3)c(Cl)c1 ZINC000740700273 603214548 /nfs/dbraw/zinc/21/45/48/603214548.db2.gz DEVKJTTUVMUNDM-UHFFFAOYSA-N -1 0 332.743 3.617 20 0 EHADRM C[C@@H](C(=O)NCc1ccccc1Cl)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823703508 603216311 /nfs/dbraw/zinc/21/63/11/603216311.db2.gz OUYBJJXMRYJSRE-MLGOLLRUSA-N -1 0 346.814 3.601 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccc(CNC(=O)[O-])o2)o1 ZINC000830282182 603231020 /nfs/dbraw/zinc/23/10/20/603231020.db2.gz OOPDXPCQFNTHKT-FZMZJTMJSA-N -1 0 346.383 3.562 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=S)NCc2ccccc2)cc1 ZINC000825449428 603239466 /nfs/dbraw/zinc/23/94/66/603239466.db2.gz QBNLBWYNWGQIMY-LBPRGKRZSA-N -1 0 329.425 3.502 20 0 EHADRM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)Nc1cc(Cl)ccc1Cl ZINC000832475881 603246023 /nfs/dbraw/zinc/24/60/23/603246023.db2.gz QXDKOARGVIGIPR-GZMMTYOYSA-N -1 0 346.214 3.551 20 0 EHADRM O=C([O-])NC[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(Cl)cc1Cl ZINC000832474969 603248233 /nfs/dbraw/zinc/24/82/33/603248233.db2.gz KKTRERNCOXFVDV-KCJUWKMLSA-N -1 0 346.214 3.551 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N2CCc3ccccc32)cc1 ZINC000825426511 603249052 /nfs/dbraw/zinc/24/90/52/603249052.db2.gz FVURCEQYDYFLRF-LBPRGKRZSA-N -1 0 325.368 3.610 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)Nc2c(F)cccc2F)cc1 ZINC000825442277 603249189 /nfs/dbraw/zinc/24/91/89/603249189.db2.gz CASVUJSXGOQCCR-SECBINFHSA-N -1 0 335.310 3.937 20 0 EHADRM Cc1cc(C)cc(CCNC(=O)c2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000740066549 603258666 /nfs/dbraw/zinc/25/86/66/603258666.db2.gz LSZOOAHTYUWZFV-UHFFFAOYSA-N -1 0 330.359 3.505 20 0 EHADRM O=C([O-])N[C@@H](C(=O)Nc1ccccc1Cl)c1cccc(Cl)c1 ZINC000740535582 603263455 /nfs/dbraw/zinc/26/34/55/603263455.db2.gz WLXTXMDQSORLHF-CYBMUJFWSA-N -1 0 339.178 3.941 20 0 EHADRM O=C([O-])N1CCC[C@@H](CNc2cccc(COCc3ccco3)c2)C1 ZINC000740513909 603269130 /nfs/dbraw/zinc/26/91/30/603269130.db2.gz BLVSJAMFMQVOOU-INIZCTEOSA-N -1 0 344.411 3.798 20 0 EHADRM CSc1ccccc1NC(=O)[C@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000829772015 603277474 /nfs/dbraw/zinc/27/74/74/603277474.db2.gz LHIBUHUICIUYRO-WBMJQRKESA-N -1 0 344.436 3.992 20 0 EHADRM CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000739302879 603277524 /nfs/dbraw/zinc/27/75/24/603277524.db2.gz QGKQUULHKDEVGM-CQSZACIVSA-N -1 0 332.322 3.556 20 0 EHADRM Cc1cc(NC(=O)C2CCC(NC(=O)[O-])CC2)ccc1OC(C)C ZINC000740083208 603285616 /nfs/dbraw/zinc/28/56/16/603285616.db2.gz KYRJMXQDGDXESO-UHFFFAOYSA-N -1 0 334.416 3.547 20 0 EHADRM C[C@H](NC(=O)Nc1cccc2c1CCN(C(=O)[O-])C2)c1ccccc1 ZINC000738982136 603289824 /nfs/dbraw/zinc/28/98/24/603289824.db2.gz WLUVXIJDTRWALH-ZDUSSCGKSA-N -1 0 339.395 3.605 20 0 EHADRM CCN(Cc1cccc(NC(=O)c2ccc(C(C)=O)cc2)c1)C(=O)[O-] ZINC000739445090 603295833 /nfs/dbraw/zinc/29/58/33/603295833.db2.gz CXPNTJNVTOKHKY-UHFFFAOYSA-N -1 0 340.379 3.641 20 0 EHADRM Cc1cc(CNC(=O)[O-])ccc1N(C(=O)c1cccc(F)c1)C1CC1 ZINC000740074835 603296632 /nfs/dbraw/zinc/29/66/32/603296632.db2.gz ACEWNPQKHXXVCI-UHFFFAOYSA-N -1 0 342.370 3.711 20 0 EHADRM Cc1cc(CNC(=O)[O-])ccc1N(C(=O)c1ccccc1F)C1CC1 ZINC000740077407 603297068 /nfs/dbraw/zinc/29/70/68/603297068.db2.gz UHIFUZLQQXPCFR-UHFFFAOYSA-N -1 0 342.370 3.711 20 0 EHADRM CC(C)Cn1ccnc1NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000738833041 603297332 /nfs/dbraw/zinc/29/73/32/603297332.db2.gz ACTLMDRUBSDMAT-UHFFFAOYSA-N -1 0 336.779 3.535 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1 ZINC000829301716 603299172 /nfs/dbraw/zinc/29/91/72/603299172.db2.gz DBZFARLSDLGLNR-GFCCVEGCSA-N -1 0 328.368 3.585 20 0 EHADRM O=C([O-])NC[C@H]1CCCN1C(=O)Nc1cccc(-c2cccs2)c1 ZINC000832557164 603300634 /nfs/dbraw/zinc/30/06/34/603300634.db2.gz TWJGTVDBKYCTEX-CQSZACIVSA-N -1 0 345.424 3.679 20 0 EHADRM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)c1ccc(CNC(=O)[O-])o1 ZINC000825630261 603300717 /nfs/dbraw/zinc/30/07/17/603300717.db2.gz PJSASCUQYAWVRS-JTQLQIEISA-N -1 0 336.775 3.534 20 0 EHADRM COc1ccc(NC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)c(C)c1 ZINC000829469312 603303307 /nfs/dbraw/zinc/30/33/07/603303307.db2.gz LAMQDWJZDYUXPX-GFCCVEGCSA-N -1 0 343.383 3.976 20 0 EHADRM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000825772259 603311002 /nfs/dbraw/zinc/31/10/02/603311002.db2.gz GLGAXYJVANVHRM-MAUKXSAKSA-N -1 0 325.368 3.628 20 0 EHADRM Cc1ccccc1O[C@H](C)CNC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000830587021 603311656 /nfs/dbraw/zinc/31/16/56/603311656.db2.gz RLSICYSYKBJNIQ-CYBMUJFWSA-N -1 0 343.383 3.674 20 0 EHADRM CN(Cc1ccccc1NC(=O)N1CCCC(C)(C)CC1)C(=O)[O-] ZINC000828399613 603327674 /nfs/dbraw/zinc/32/76/74/603327674.db2.gz CSTNABHYVJMRPH-UHFFFAOYSA-N -1 0 333.432 3.840 20 0 EHADRM CCSCC[C@H](C)NC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000827503669 603328006 /nfs/dbraw/zinc/32/80/06/603328006.db2.gz KEEBIUGWCZURCT-VIFPVBQESA-N -1 0 329.397 3.569 20 0 EHADRM CCN(Cc1cccc(NC(=O)N2CCC3(CCCC3)C2)c1)C(=O)[O-] ZINC000827172243 603331720 /nfs/dbraw/zinc/33/17/20/603331720.db2.gz VQMOXAZMZBVRAN-UHFFFAOYSA-N -1 0 345.443 3.985 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccccc2CN(C)C(=O)[O-])c2ccccc21 ZINC000739144491 603335457 /nfs/dbraw/zinc/33/54/57/603335457.db2.gz JCPWIEYSLBTPNF-CYBMUJFWSA-N -1 0 339.395 3.952 20 0 EHADRM CN(Cc1ccccc1NC(=O)N1CCC[C@H]1C1CCC1)C(=O)[O-] ZINC000739716582 603337853 /nfs/dbraw/zinc/33/78/53/603337853.db2.gz XNMATIDVDYEEHR-INIZCTEOSA-N -1 0 331.416 3.593 20 0 EHADRM CN(Cc1ccccc1NC(=O)NC/C=C\c1ccccc1)C(=O)[O-] ZINC000739718745 603339603 /nfs/dbraw/zinc/33/96/03/603339603.db2.gz WKHRFQZLGGKGSN-YFHOEESVSA-N -1 0 339.395 3.631 20 0 EHADRM CC(C)[C@H](CC1CCCCC1)C(=O)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000738773168 603343098 /nfs/dbraw/zinc/34/30/98/603343098.db2.gz IAYIENZGKXUEER-PVAVHDDUSA-N -1 0 338.492 3.734 20 0 EHADRM CCN(Cc1cccc(NC(=O)N2C[C@@H](C)C[C@H](C)C2)c1)C(=O)[O-] ZINC000739441013 603344241 /nfs/dbraw/zinc/34/42/41/603344241.db2.gz CRLYTEVAYXRZCJ-KBPBESRZSA-N -1 0 333.432 3.696 20 0 EHADRM C[C@@H](CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1)NC(=O)[O-] ZINC000824614687 603351615 /nfs/dbraw/zinc/35/16/15/603351615.db2.gz MXIKAJRAWCOUBY-YVEFUNNKSA-N -1 0 346.814 3.592 20 0 EHADRM C[C@H](C(=O)N(C)[C@@H](C)c1cccs1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823654562 603351703 /nfs/dbraw/zinc/35/17/03/603351703.db2.gz KQEHHGHLXUQEAC-XEZPLFJOSA-N -1 0 346.452 3.913 20 0 EHADRM Cc1ccc(C(=O)NCc2cc3c(s2)CCCC3)cc1NC(=O)[O-] ZINC000830220313 603356624 /nfs/dbraw/zinc/35/66/24/603356624.db2.gz QRONYAADRXKCQU-UHFFFAOYSA-N -1 0 344.436 3.955 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2cccc(CN(C)C(=O)[O-])c2)cc1 ZINC000740114590 603357261 /nfs/dbraw/zinc/35/72/61/603357261.db2.gz SHQVVJFYCDJPLA-AWEZNQCLSA-N -1 0 341.411 3.988 20 0 EHADRM Cc1ccc(CNC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1F ZINC000830316802 603373248 /nfs/dbraw/zinc/37/32/48/603373248.db2.gz GVDFEYACJUYLEA-GFCCVEGCSA-N -1 0 345.374 3.784 20 0 EHADRM CC(C)c1ccc(NC(=S)N[C@H]2CCC[C@H]2CNC(=O)[O-])cc1 ZINC000738875313 603374448 /nfs/dbraw/zinc/37/44/48/603374448.db2.gz FWHYWFACJSZHIJ-ZFWWWQNUSA-N -1 0 335.473 3.533 20 0 EHADRM Cc1ccccc1CNC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000830573600 603379492 /nfs/dbraw/zinc/37/94/92/603379492.db2.gz PLKAXYBQDPPIIV-ZDUSSCGKSA-N -1 0 327.384 3.645 20 0 EHADRM O=C([O-])N[C@H](CNC(=S)Nc1cccc(Cl)c1)c1ccccc1 ZINC000740537986 603379663 /nfs/dbraw/zinc/37/96/63/603379663.db2.gz WADCGJISSOKPNX-CQSZACIVSA-N -1 0 349.843 3.635 20 0 EHADRM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)C1CCN(C(=O)[O-])CC1 ZINC000737722626 603389340 /nfs/dbraw/zinc/38/93/40/603389340.db2.gz XABIOCVPXLAGJQ-HNNXBMFYSA-N -1 0 344.455 3.766 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000739085002 603392905 /nfs/dbraw/zinc/39/29/05/603392905.db2.gz SMXCSIKHWJEJRQ-PBHICJAKSA-N -1 0 338.407 3.724 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1sc2ccccc2c1Cl)NC(=O)[O-] ZINC000738793020 603414108 /nfs/dbraw/zinc/41/41/08/603414108.db2.gz ISIDNUPEOHTFBE-SNVBAGLBSA-N -1 0 340.832 3.577 20 0 EHADRM Cc1cc2c(cc1C)O[C@H](c1nc([C@H](CC(C)C)NC(=O)[O-])no1)C2 ZINC000830143700 603416564 /nfs/dbraw/zinc/41/65/64/603416564.db2.gz LWVPEVUZZZEVID-ZFWWWQNUSA-N -1 0 345.399 3.717 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H](c2nc(Cc3cccc(Cl)c3)no2)C1 ZINC000832340081 603419719 /nfs/dbraw/zinc/41/97/19/603419719.db2.gz PYLGTYOMPKKSTJ-DGCLKSJQSA-N -1 0 335.791 3.608 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC000825081223 603430452 /nfs/dbraw/zinc/43/04/52/603430452.db2.gz AUMQEXCIPQJYDG-IQJOONFLSA-N -1 0 345.226 3.607 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)N2CCCC[C@H]2c2nccs2)cc1 ZINC000740702258 603431398 /nfs/dbraw/zinc/43/13/98/603431398.db2.gz WVLKHAHVDKSBLP-AWEZNQCLSA-N -1 0 345.424 3.529 20 0 EHADRM CC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000739258318 603434740 /nfs/dbraw/zinc/43/47/40/603434740.db2.gz CWYGECCFGJYERG-GOSISDBHSA-N -1 0 340.423 3.548 20 0 EHADRM CN(Cc1ccccc1NC(=O)C/C=C\c1cccc(F)c1)C(=O)[O-] ZINC000828393210 603437448 /nfs/dbraw/zinc/43/74/48/603437448.db2.gz IWTOBEOGPCWYGG-ALCCZGGFSA-N -1 0 342.370 3.978 20 0 EHADRM Cc1cc(C)cc(NC(=O)N2CCC(N(CC3CC3)C(=O)[O-])CC2)c1 ZINC000830005565 603451040 /nfs/dbraw/zinc/45/10/40/603451040.db2.gz ZHSDNDNRYMUAOT-UHFFFAOYSA-N -1 0 345.443 3.690 20 0 EHADRM CCc1cccc(NC(=O)N2CCC(N(CC3CC3)C(=O)[O-])CC2)c1 ZINC000827600354 603451127 /nfs/dbraw/zinc/45/11/27/603451127.db2.gz OJCKLJFVSMFHMK-UHFFFAOYSA-N -1 0 345.443 3.635 20 0 EHADRM COc1ccc(Cl)cc1CC(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000738098842 603474448 /nfs/dbraw/zinc/47/44/48/603474448.db2.gz CFCNIBVYTQRKSF-UHFFFAOYSA-N -1 0 335.743 3.587 20 0 EHADRM O=C([O-])NCCCn1ccc2cc(C(=O)Nc3ccsc3)ccc21 ZINC000832636207 603518678 /nfs/dbraw/zinc/51/86/78/603518678.db2.gz PMUWYSOQNXDYFA-UHFFFAOYSA-N -1 0 343.408 3.613 20 0 EHADRM O=C([O-])NC1CCN(Cn2c(-c3ccccc3)csc2=S)CC1 ZINC000832391987 603521066 /nfs/dbraw/zinc/52/10/66/603521066.db2.gz LJZVPPRWUJJBNR-UHFFFAOYSA-N -1 0 349.481 3.636 20 0 EHADRM CCCCN(C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)[C@@H](C)c1ccc(C)o1 ZINC000826825513 603528935 /nfs/dbraw/zinc/52/89/35/603528935.db2.gz FRFSSBVSRVPQPX-ZNMIVQPWSA-N -1 0 336.432 3.714 20 0 EHADRM Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)n2)cc1NC(=O)[O-] ZINC000830234544 603535862 /nfs/dbraw/zinc/53/58/62/603535862.db2.gz SYNVYRDOTHKDLI-UHFFFAOYSA-N -1 0 339.273 3.751 20 0 EHADRM CCC[C@@H](NC(=O)[O-])c1nc(-c2ccc(N3CCCCC3)cc2)no1 ZINC000826765663 603542753 /nfs/dbraw/zinc/54/27/53/603542753.db2.gz UBYFVSSMIKHQSK-OAHLLOKOSA-N -1 0 344.415 3.836 20 0 EHADRM COc1ccc(NC(=O)N2CC[C@@H](CC(C)C)C2)cc1NC(=O)[O-] ZINC000829461384 603584526 /nfs/dbraw/zinc/58/45/26/603584526.db2.gz ZXCGWQYFRZZQMN-LBPRGKRZSA-N -1 0 335.404 3.685 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)Nc2cccc(NC3CCCC3)c2)o1 ZINC000832705312 603586491 /nfs/dbraw/zinc/58/64/91/603586491.db2.gz ICXYKUVJQPFSIM-UHFFFAOYSA-N -1 0 343.383 3.654 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)c2cccc3cnccc32)c1 ZINC000829469080 603616124 /nfs/dbraw/zinc/61/61/24/603616124.db2.gz ASJSOAZLHNSEQY-UHFFFAOYSA-N -1 0 337.335 3.586 20 0 EHADRM C[C@@H](NC(=O)CC1CN(C(=O)[O-])C1)c1ccc(-c2ccccc2)cc1 ZINC000825107934 603634027 /nfs/dbraw/zinc/63/40/27/603634027.db2.gz IOXNNMVFGBLYAA-CQSZACIVSA-N -1 0 338.407 3.531 20 0 EHADRM CC(C)CC1(C(=O)N2CCC([C@H]3CCCN3C(=O)[O-])CC2)CCC1 ZINC000824224687 603646295 /nfs/dbraw/zinc/64/62/95/603646295.db2.gz MKIBXZBSSYKXHL-MRXNPFEDSA-N -1 0 336.476 3.584 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)N(C)C2CCC(NC(=O)[O-])CC2)c1C ZINC000830472061 603660309 /nfs/dbraw/zinc/66/03/09/603660309.db2.gz MQVSGYPRPQWEPU-QQFBHYJXSA-N -1 0 347.459 3.585 20 0 EHADRM Cc1ccc2c(c1)N(C(=O)c1cccc(NC(=O)[O-])c1)C[C@@H](C)O2 ZINC000830445386 603679352 /nfs/dbraw/zinc/67/93/52/603679352.db2.gz GFEWAWUSHWJZIH-GFCCVEGCSA-N -1 0 326.352 3.513 20 0 EHADRM CCCN(C(=O)CC1CN(C(=O)[O-])C1)[C@@H](C)c1cc2ccccc2o1 ZINC000826856850 603689921 /nfs/dbraw/zinc/68/99/21/603689921.db2.gz GYDDCYLUZVYNDD-ZDUSSCGKSA-N -1 0 344.411 3.732 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N(CC2CCC2)CC(F)(F)F)ccc1F ZINC000832818060 603757838 /nfs/dbraw/zinc/75/78/38/603757838.db2.gz SGYDBFNVXXQBCJ-UHFFFAOYSA-N -1 0 348.296 3.720 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(C2(c3cccc(F)c3)CC2)n1 ZINC000824216940 603767015 /nfs/dbraw/zinc/76/70/15/603767015.db2.gz AEKFTDRAFWVGMS-CYBMUJFWSA-N -1 0 333.363 3.643 20 0 EHADRM Cc1cccc(NC(=O)C[C@H](Cc2ccccc2)NC(=O)[O-])c1Cl ZINC000830516467 603770548 /nfs/dbraw/zinc/77/05/48/603770548.db2.gz FAXLINQVBHKQED-AWEZNQCLSA-N -1 0 346.814 3.856 20 0 EHADRM C[C@H](OC(=O)C(C)(C)C(C)(C)NC(=O)[O-])c1ncc(C(C)(C)C)o1 ZINC000825534444 603774125 /nfs/dbraw/zinc/77/41/25/603774125.db2.gz BNEHYWNMRFEKPG-JTQLQIEISA-N -1 0 340.420 3.649 20 0 EHADRM CC[C@H]1CC[C@H](C(=O)Nc2ccc(NC(=O)[O-])cc2C(F)(F)F)O1 ZINC000826661546 603797819 /nfs/dbraw/zinc/79/78/19/603797819.db2.gz RUZGVYSUSQKSBF-JOYOIKCWSA-N -1 0 346.305 3.691 20 0 EHADRM CCCCN(C(=O)CC1CN(C(=O)[O-])C1)[C@H](CC)c1ccccc1 ZINC000826826617 603801190 /nfs/dbraw/zinc/80/11/90/603801190.db2.gz UNLCDFOQQOQTCK-QGZVFWFLSA-N -1 0 332.444 3.766 20 0 EHADRM CC(C)[C@@H](CCN(C)Cc1csc(-c2ccoc2)n1)NC(=O)[O-] ZINC000824105482 603826698 /nfs/dbraw/zinc/82/66/98/603826698.db2.gz WNIMQEAHRJQEAQ-CQSZACIVSA-N -1 0 337.445 3.517 20 0 EHADRM Cc1ccc(C)c(NC(=S)N(C)C2CCC(NC(=O)[O-])CC2)c1 ZINC000830274103 603829176 /nfs/dbraw/zinc/82/91/76/603829176.db2.gz FNDYJKGFASJVGB-UHFFFAOYSA-N -1 0 335.473 3.511 20 0 EHADRM CCc1ccc(NC(=S)N(C)CC[C@H](NC(=O)[O-])C(C)C)cc1 ZINC000827589408 603830636 /nfs/dbraw/zinc/83/06/36/603830636.db2.gz KGBPDXRUGRZWCL-HNNXBMFYSA-N -1 0 337.489 3.560 20 0 EHADRM Cc1ccc(C)c(NC(=S)N(C)CC[C@H](NC(=O)[O-])C(C)C)c1 ZINC000830275267 603831652 /nfs/dbraw/zinc/83/16/52/603831652.db2.gz QRFYLDNTOQIPIM-AWEZNQCLSA-N -1 0 337.489 3.614 20 0 EHADRM Cc1ccc(NC(=S)N(C)CC[C@@H](NC(=O)[O-])C(C)C)c(C)c1 ZINC000830395435 603831880 /nfs/dbraw/zinc/83/18/80/603831880.db2.gz FAFZMBJUCWFPBC-CQSZACIVSA-N -1 0 337.489 3.614 20 0 EHADRM C/C(=C\c1ccc(F)cc1)c1nc(C2(NC(=O)[O-])CCCC2)no1 ZINC000823528523 603831954 /nfs/dbraw/zinc/83/19/54/603831954.db2.gz VKFNLYNYXWWLLF-ZHACJKMWSA-N -1 0 331.347 3.806 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)Nc2ccc(CCC(F)(F)F)cc2)C1 ZINC000832285107 603887214 /nfs/dbraw/zinc/88/72/14/603887214.db2.gz CYXCLDXGNZBFSS-DGCLKSJQSA-N -1 0 344.333 3.556 20 0 EHADRM O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)N1CCC(C3CCCC3)CC1)C2 ZINC000831298530 603929674 /nfs/dbraw/zinc/92/96/74/603929674.db2.gz GZCSIDPTXLXKDT-DODVFSASSA-N -1 0 348.487 3.726 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000831793976 603957907 /nfs/dbraw/zinc/95/79/07/603957907.db2.gz SZLHDIVLKNEIBG-GJZGRUSLSA-N -1 0 340.354 3.608 20 0 EHADRM Cc1ccc(C(=O)O[C@H](C)C(=O)c2ccc(F)cc2)cc1NC(=O)[O-] ZINC000830239364 603958044 /nfs/dbraw/zinc/95/80/44/603958044.db2.gz YTCLSHYYTQGSNU-LLVKDONJSA-N -1 0 345.326 3.652 20 0 EHADRM O=C(CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])N[C@H](c1cccs1)C1CC1 ZINC000831300596 603972271 /nfs/dbraw/zinc/97/22/71/603972271.db2.gz ZNYCJWQGAJHOSA-HOWNWNINSA-N -1 0 348.468 3.627 20 0 EHADRM C[C@@H](c1ccco1)N(C)C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000825644623 603983365 /nfs/dbraw/zinc/98/33/65/603983365.db2.gz HKAAUJQHVSSLLT-NSHDSACASA-N -1 0 329.356 3.545 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)N[C@@H]1CCCc2occc21 ZINC000831793320 603985435 /nfs/dbraw/zinc/98/54/35/603985435.db2.gz JCKCCLSVIQJZNN-CQSZACIVSA-N -1 0 341.367 3.519 20 0 EHADRM CN(C(=O)Nc1ccc(C(C)(C)C)cc1)C1CCN(C(=O)[O-])CC1 ZINC000827807261 604007044 /nfs/dbraw/zinc/00/70/44/604007044.db2.gz WIUGXWKCYKBYPA-UHFFFAOYSA-N -1 0 333.432 3.590 20 0 EHADRM COc1cc(NC(=O)N2Cc3ccccc3[C@@H]2C)ccc1NC(=O)[O-] ZINC000829158655 604009993 /nfs/dbraw/zinc/00/99/93/604009993.db2.gz HAUSICYCTDTNRJ-NSHDSACASA-N -1 0 341.367 3.894 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NCc1cc(-c2ccccc2)no1 ZINC000832079124 604011391 /nfs/dbraw/zinc/01/13/91/604011391.db2.gz DZEPPTMCSNDYOL-UHFFFAOYSA-N -1 0 335.363 3.994 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N1C[C@H](C)CC1(C)C)C(=O)[O-] ZINC000827182299 604012651 /nfs/dbraw/zinc/01/26/51/604012651.db2.gz KUXXYXXZNJQMPD-CYBMUJFWSA-N -1 0 333.432 3.839 20 0 EHADRM CN(Cc1cccc(NC(=O)N(C2CC2)C2CCCC2)c1)C(=O)[O-] ZINC000828375536 604016317 /nfs/dbraw/zinc/01/63/17/604016317.db2.gz KXZBOZATCYCGEI-UHFFFAOYSA-N -1 0 331.416 3.735 20 0 EHADRM Cc1c(Cl)cccc1NC(=O)N1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000829871517 604061819 /nfs/dbraw/zinc/06/18/19/604061819.db2.gz BQESELJGVOXVOZ-NWDGAFQWSA-N -1 0 339.823 3.548 20 0 EHADRM CN(C(=O)Nc1ccc2ccccc2c1)C1CCC(NC(=O)[O-])CC1 ZINC000827811031 604119267 /nfs/dbraw/zinc/11/92/67/604119267.db2.gz VJWIINHVDWIHDD-UHFFFAOYSA-N -1 0 341.411 3.882 20 0 EHADRM CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000827504278 604136538 /nfs/dbraw/zinc/13/65/38/604136538.db2.gz SVQHZHHOEIOWJS-KBPBESRZSA-N -1 0 337.445 3.962 20 0 EHADRM CC(C)(C)c1ncsc1C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000823869375 604143325 /nfs/dbraw/zinc/14/33/25/604143325.db2.gz JFQZJGVWMFAYAW-UHFFFAOYSA-N -1 0 337.376 3.922 20 0 EHADRM Cc1cnc([C@H](C)NC(=O)Nc2cc(NC(=O)[O-])ccc2F)s1 ZINC000830625313 604144421 /nfs/dbraw/zinc/14/44/21/604144421.db2.gz QIVXRZLXQYXXSY-QMMMGPOBSA-N -1 0 338.364 3.563 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N[C@H]2CCCc3[nH]ccc32)cc1 ZINC000825427009 604147113 /nfs/dbraw/zinc/14/71/13/604147113.db2.gz NLDOUKZECXNIGK-ZBEGNZNMSA-N -1 0 342.399 3.542 20 0 EHADRM Cc1ccc(-c2nc(CN3CCC[C@@H]([C@@H](C)NC(=O)[O-])C3)cs2)o1 ZINC000830154234 604164614 /nfs/dbraw/zinc/16/46/14/604164614.db2.gz GOOBXWKSSASHLM-CHWSQXEVSA-N -1 0 349.456 3.580 20 0 EHADRM O=C([O-])Nc1ccc(C(F)(F)F)cc1NC(=O)C[C@@H]1CCCCO1 ZINC000832839370 604174227 /nfs/dbraw/zinc/17/42/27/604174227.db2.gz VZRXKAQGGZBAFZ-JTQLQIEISA-N -1 0 346.305 3.693 20 0 EHADRM C[C@H](OC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1)c1cnc2ccccc2c1 ZINC000825560134 604246621 /nfs/dbraw/zinc/24/66/21/604246621.db2.gz HNJRKAHDAVPCGY-DUVNUKRYSA-N -1 0 342.395 3.665 20 0 EHADRM CC(C)(C)c1ncsc1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000823869390 604249053 /nfs/dbraw/zinc/24/90/53/604249053.db2.gz JVODTNFZSKRGPW-UHFFFAOYSA-N -1 0 347.440 3.503 20 0 EHADRM CSc1ccc(C)c(C(=O)NCCc2ccc(NC(=O)[O-])cc2)c1 ZINC000738210010 604250764 /nfs/dbraw/zinc/25/07/64/604250764.db2.gz FATBDZUUHUQAJP-UHFFFAOYSA-N -1 0 344.436 3.779 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=S)Nc2ccccc2F)cc1 ZINC000825397480 604284489 /nfs/dbraw/zinc/28/44/89/604284489.db2.gz MKOQMFUXEWCNQG-LLVKDONJSA-N -1 0 347.415 3.641 20 0 EHADRM Cc1ccc(NC(=S)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1 ZINC000830396314 604285409 /nfs/dbraw/zinc/28/54/09/604285409.db2.gz XVQDSVFLXNPXRP-CYBMUJFWSA-N -1 0 343.452 3.810 20 0 EHADRM Cc1ccc(NC(=O)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)s1 ZINC000830390093 604309215 /nfs/dbraw/zinc/30/92/15/604309215.db2.gz GFSFOTFKATZZQB-LLVKDONJSA-N -1 0 333.413 3.707 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCSc3ccncc32)c(Cl)c1 ZINC000832832705 604327500 /nfs/dbraw/zinc/32/75/00/604327500.db2.gz BHBLBHKKNVYLJG-UHFFFAOYSA-N -1 0 349.799 3.577 20 0 EHADRM C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828527928 604337448 /nfs/dbraw/zinc/33/74/48/604337448.db2.gz QHOXQJLFCGCSGI-VIFPVBQESA-N -1 0 349.308 3.562 20 0 EHADRM CCc1cnc(NC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])s1 ZINC000830299420 604348868 /nfs/dbraw/zinc/34/88/68/604348868.db2.gz PAXOPCCNEZXSNG-ZDUSSCGKSA-N -1 0 347.440 3.679 20 0 EHADRM Cc1cccc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)c1C ZINC000237601554 604349789 /nfs/dbraw/zinc/34/97/89/604349789.db2.gz UDQIMVYKPJNFQO-UHFFFAOYSA-N -1 0 325.408 3.811 20 0 EHADRM C[C@@H](CC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])c1cccnc1 ZINC000827226730 604373356 /nfs/dbraw/zinc/37/33/56/604373356.db2.gz PPTIHHZCKKRPLU-KBXCAEBGSA-N -1 0 340.423 3.544 20 0 EHADRM CC(=O)c1cccc(C(=O)Oc2c(C(=O)[O-])ccc3ccccc32)c1 ZINC000825959898 604379920 /nfs/dbraw/zinc/37/99/20/604379920.db2.gz BWGAFBCAQZUYBM-UHFFFAOYSA-N -1 0 334.327 3.960 20 0 EHADRM CCn1c(C)cc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])c1C ZINC000830408322 604381794 /nfs/dbraw/zinc/38/17/94/604381794.db2.gz VJAJUDKHGKFZKM-QGZVFWFLSA-N -1 0 342.439 3.707 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OC(=O)Cc1cc(F)c(F)cc1F ZINC000833116719 604388419 /nfs/dbraw/zinc/38/84/19/604388419.db2.gz BPSQQSIJRCAQMG-UHFFFAOYSA-N -1 0 344.672 3.604 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(F)cc1C(F)(F)F)C1CCCCC1 ZINC000833124295 604392219 /nfs/dbraw/zinc/39/22/19/604392219.db2.gz WZPSWJCSSRHSSL-ZDUSSCGKSA-N -1 0 347.308 3.608 20 0 EHADRM COc1cccc(C[C@H](OC(=O)[C@H](C)CC(=O)[O-])c2ccccc2)c1 ZINC000832546014 604415081 /nfs/dbraw/zinc/41/50/81/604415081.db2.gz RWXYKXALFDDZCZ-KDOFPFPSSA-N -1 0 342.391 3.633 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)CCc1ccccc1 ZINC000829026179 604428781 /nfs/dbraw/zinc/42/87/81/604428781.db2.gz HJIXEQMAESFCGV-GOSISDBHSA-N -1 0 325.408 3.684 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)C=Cc2ccnc(Cl)c2)ccc1F ZINC000833284237 604432383 /nfs/dbraw/zinc/43/23/83/604432383.db2.gz RRKMULAUGRVCBA-RJRFIUFISA-N -1 0 335.722 3.616 20 0 EHADRM CCc1ccccc1C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000683311729 604435482 /nfs/dbraw/zinc/43/54/82/604435482.db2.gz IWXGIUHGYBOJRM-UHFFFAOYSA-N -1 0 348.402 3.627 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)C[C@H](C)c2ccccc2)cc1 ZINC000824654786 604442664 /nfs/dbraw/zinc/44/26/64/604442664.db2.gz HNQGKBMOISOXPU-LSDHHAIUSA-N -1 0 340.423 3.825 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)c2ccc(C(F)F)cc2)cc1 ZINC000825397446 604451652 /nfs/dbraw/zinc/45/16/52/604451652.db2.gz LXDBRDXXDQHQDN-NSHDSACASA-N -1 0 348.349 3.883 20 0 EHADRM COc1cccc(-c2nc(CN(C)C3(C(=O)[O-])CCCC3)cs2)c1 ZINC000832515841 604457630 /nfs/dbraw/zinc/45/76/30/604457630.db2.gz WLBVDFNRQANAJZ-UHFFFAOYSA-N -1 0 346.452 3.648 20 0 EHADRM CC(C)(C)SCCCC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000833446443 604463701 /nfs/dbraw/zinc/46/37/01/604463701.db2.gz BJZWAXBTHGLKNC-INIZCTEOSA-N -1 0 335.469 3.509 20 0 EHADRM CC(C)(C)O[C@H](C(=O)OCc1occc1C(=O)[O-])c1ccccc1 ZINC000833445970 604470819 /nfs/dbraw/zinc/47/08/19/604470819.db2.gz KRWZWXHCSNSPAG-HNNXBMFYSA-N -1 0 332.352 3.577 20 0 EHADRM Cc1ccsc1CNC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000832984140 604478829 /nfs/dbraw/zinc/47/88/29/604478829.db2.gz JTLRTNWEAWYPOH-OAHLLOKOSA-N -1 0 346.452 3.708 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@H]1CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000827653550 604486474 /nfs/dbraw/zinc/48/64/74/604486474.db2.gz QAWGSRGVKHXXQX-CJNGLKHVSA-N -1 0 332.444 3.694 20 0 EHADRM Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2cc(C(=O)[O-])cs2)s1 ZINC000832994495 604498383 /nfs/dbraw/zinc/49/83/83/604498383.db2.gz KZTIFMYUNMLUAD-MRVPVSSYSA-N -1 0 339.442 3.745 20 0 EHADRM C[C@H](NC(=O)Nc1cc(C(=O)[O-])cs1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000827664931 604499014 /nfs/dbraw/zinc/49/90/14/604499014.db2.gz MGPVPBRRVSITCC-AMJWSMQMSA-N -1 0 346.408 3.521 20 0 EHADRM O=C([O-])c1csc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000833343102 604501717 /nfs/dbraw/zinc/50/17/17/604501717.db2.gz WPBRXXISLTXJSP-CYBMUJFWSA-N -1 0 334.372 3.954 20 0 EHADRM CC(C)Oc1cccc(CNC(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC000827058725 604506418 /nfs/dbraw/zinc/50/64/18/604506418.db2.gz SVDXXYXRFSRBGP-UHFFFAOYSA-N -1 0 334.397 3.555 20 0 EHADRM CCO[C@H](CCNC(=O)Nc1cc(C(=O)[O-])cs1)C1CCCC1 ZINC000829918505 604509342 /nfs/dbraw/zinc/50/93/42/604509342.db2.gz QVJWWSRBQOJPCQ-CYBMUJFWSA-N -1 0 340.445 3.553 20 0 EHADRM C[C@@H]1c2ccc(F)cc2CCN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000828528198 604522825 /nfs/dbraw/zinc/52/28/25/604522825.db2.gz SCYDEJMNJXNGCO-SECBINFHSA-N -1 0 334.372 3.737 20 0 EHADRM Cc1cccc(C(=O)N(CCC(=O)[O-])c2cccc(F)c2)c1Cl ZINC000833752425 604523630 /nfs/dbraw/zinc/52/36/30/604523630.db2.gz UCKAYWFLMCYWPX-UHFFFAOYSA-N -1 0 335.762 3.909 20 0 EHADRM CCN(C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])C1CCCC1 ZINC000829596748 604532586 /nfs/dbraw/zinc/53/25/86/604532586.db2.gz BHQKGEFYDZZVQD-INIZCTEOSA-N -1 0 332.444 3.813 20 0 EHADRM CC(C)Cn1ncc(C(=O)Nc2ccc(NC(=O)[O-])cc2)c1C1CC1 ZINC000833493146 604535187 /nfs/dbraw/zinc/53/51/87/604535187.db2.gz GPKAISIXCOSTKI-UHFFFAOYSA-N -1 0 342.399 3.759 20 0 EHADRM CCc1ccc(OCC(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC000830259716 604543698 /nfs/dbraw/zinc/54/36/98/604543698.db2.gz FUULHHCHSRBVRY-LBPRGKRZSA-N -1 0 332.352 3.532 20 0 EHADRM C/C(=C/c1ccccc1Cl)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000761576124 604548121 /nfs/dbraw/zinc/54/81/21/604548121.db2.gz AOJNGEINBHNSPL-YUQCYMQKSA-N -1 0 329.783 3.685 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccc(F)cc2OC2CCCC2)C1 ZINC000683339511 604563056 /nfs/dbraw/zinc/56/30/56/604563056.db2.gz PVBSNEUDWWQWQP-STQMWFEESA-N -1 0 349.402 3.977 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)c1sc2cc(F)ccc2c1Cl ZINC000386749507 604564159 /nfs/dbraw/zinc/56/41/59/604564159.db2.gz BMETZLDMGACHRN-SECBINFHSA-N -1 0 341.791 3.773 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2c(Cl)nc3ccccn32)oc1C(=O)[O-] ZINC000832872134 604566559 /nfs/dbraw/zinc/56/65/59/604566559.db2.gz MMBHFDBEAISDRI-SECBINFHSA-N -1 0 348.742 3.505 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000262942437 604571431 /nfs/dbraw/zinc/57/14/31/604571431.db2.gz MFVFBWFLRSTION-WCFLWFBJSA-N -1 0 342.222 3.563 20 0 EHADRM Cc1nc(CC(C)C)c(NC(=O)c2ccc(CNC(=O)[O-])cc2)s1 ZINC000830741180 604573277 /nfs/dbraw/zinc/57/32/77/604573277.db2.gz AHMCGCWAAGSEST-UHFFFAOYSA-N -1 0 347.440 3.670 20 0 EHADRM Cc1cc([C@H](C)OC(=O)[C@H](C)Cc2ccc(F)cc2)oc1C(=O)[O-] ZINC000832873641 604575444 /nfs/dbraw/zinc/57/54/44/604575444.db2.gz HOQHVIDJDQSNGP-NEPJUHHUSA-N -1 0 334.343 3.908 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2cccc3c2ccn3C)oc1C(=O)[O-] ZINC000832874359 604580050 /nfs/dbraw/zinc/58/00/50/604580050.db2.gz JEBPIWNTMMPUCF-NSHDSACASA-N -1 0 327.336 3.696 20 0 EHADRM CC(C)Oc1ccc(NC(=O)NCCc2cccc(C(=O)[O-])c2)cc1 ZINC000393168796 604580835 /nfs/dbraw/zinc/58/08/35/604580835.db2.gz NYQPPIIARMTSEY-UHFFFAOYSA-N -1 0 342.395 3.536 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000263070529 604584493 /nfs/dbraw/zinc/58/44/93/604584493.db2.gz YCZTUTCVPACXAZ-SDDRHHMPSA-N -1 0 342.222 3.563 20 0 EHADRM CC(C)(C)c1ccccc1C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000325506019 604585538 /nfs/dbraw/zinc/58/55/38/604585538.db2.gz MZUBEEPGLMPVOT-UHFFFAOYSA-N -1 0 325.408 3.655 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2ncoc2-c2ccccc2)oc1C(=O)[O-] ZINC000832873102 604585741 /nfs/dbraw/zinc/58/57/41/604585741.db2.gz GHTNIBKGKHMWQY-LLVKDONJSA-N -1 0 341.319 3.859 20 0 EHADRM C[C@@H]1CCCN(C(=O)Nc2cccc(SCCC(=O)[O-])c2)[C@@H]1C ZINC000833615017 604589900 /nfs/dbraw/zinc/58/99/00/604589900.db2.gz ZAUJSIJCWFGJLQ-CHWSQXEVSA-N -1 0 336.457 3.906 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)[C@@H](C)Cc2ccccc2F)oc1C(=O)[O-] ZINC000832878954 604590644 /nfs/dbraw/zinc/59/06/44/604590644.db2.gz ZNMYEWWTGBADDD-NWDGAFQWSA-N -1 0 334.343 3.908 20 0 EHADRM CCN(C(=O)NCc1ccc([C@@H](C)NC(=O)[O-])cc1)[C@H](C)C(C)C ZINC000826980440 604620700 /nfs/dbraw/zinc/62/07/00/604620700.db2.gz VHNJKAXPYYIIQH-ZIAGYGMSSA-N -1 0 335.448 3.591 20 0 EHADRM CCC(CC)n1ccc(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)n1 ZINC000828869940 604625892 /nfs/dbraw/zinc/62/58/92/604625892.db2.gz HMPMUTQWIXOCTQ-LBPRGKRZSA-N -1 0 330.384 3.860 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000830168552 604628031 /nfs/dbraw/zinc/62/80/31/604628031.db2.gz DGKXXPVJUREWSG-NSHDSACASA-N -1 0 342.848 3.923 20 0 EHADRM Cc1ccc([C@@H](CNc2nc(C(F)(F)F)cs2)C(=O)[O-])cc1 ZINC000832923105 604631158 /nfs/dbraw/zinc/63/11/58/604631158.db2.gz JVQXNRMBJBXERF-SNVBAGLBSA-N -1 0 330.331 3.751 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000833214414 604636931 /nfs/dbraw/zinc/63/69/31/604636931.db2.gz SDGRQEAOBZDOJV-ZDUSSCGKSA-N -1 0 344.333 3.653 20 0 EHADRM O=C([O-])N1CCC(Nc2cccc(OCCc3ccccc3)c2)CC1 ZINC000833279165 604642554 /nfs/dbraw/zinc/64/25/54/604642554.db2.gz UNHPIOHHFVFPIL-UHFFFAOYSA-N -1 0 340.423 3.862 20 0 EHADRM CCS[C@H](C)c1noc(COc2ccc(N(C)C(=O)[O-])cc2)n1 ZINC000827494863 604648061 /nfs/dbraw/zinc/64/80/61/604648061.db2.gz DTEMKANIZVPCNN-SNVBAGLBSA-N -1 0 337.401 3.577 20 0 EHADRM O=C([O-])c1cc(CN2CCSC[C@@H]2c2ccc(Cl)cc2)c[nH]1 ZINC000833779600 604656077 /nfs/dbraw/zinc/65/60/77/604656077.db2.gz NULUYFRJDHBYBP-OAHLLOKOSA-N -1 0 336.844 3.656 20 0 EHADRM CCC(CC)n1ccc(C(=O)Oc2ccc(SCC(=O)[O-])cc2)n1 ZINC000828869608 604664020 /nfs/dbraw/zinc/66/40/20/604664020.db2.gz AVSMWMUXMZWTLB-UHFFFAOYSA-N -1 0 348.424 3.640 20 0 EHADRM CCC(CC)n1nccc1C(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC000828874553 604664103 /nfs/dbraw/zinc/66/41/03/604664103.db2.gz LCLYUFRBYLMSMV-UHFFFAOYSA-N -1 0 348.424 3.640 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000833210711 604676262 /nfs/dbraw/zinc/67/62/62/604676262.db2.gz OMQOLFQDNYQUPY-AEFFLSMTSA-N -1 0 348.418 3.706 20 0 EHADRM COC1CCC(CC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CC1 ZINC000833718486 604680277 /nfs/dbraw/zinc/68/02/77/604680277.db2.gz BQTYDYBXCUFTAU-UHFFFAOYSA-N -1 0 325.792 3.572 20 0 EHADRM Cc1cc([C@@H](C)Sc2nnc(-c3ccoc3C)n2C)oc1C(=O)[O-] ZINC000832873499 604698087 /nfs/dbraw/zinc/69/80/87/604698087.db2.gz KLVGLNYZDTVQKC-SNVBAGLBSA-N -1 0 347.396 3.836 20 0 EHADRM CC(C)[C@H](C(=O)OCC(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000833464632 604707692 /nfs/dbraw/zinc/70/76/92/604707692.db2.gz APKNUOQJCQXWDP-SFHVURJKSA-N -1 0 340.375 3.551 20 0 EHADRM C[C@H](Nc1cccc(C(=O)[O-])n1)c1nc2ccccc2n1C(F)F ZINC000833524876 604709819 /nfs/dbraw/zinc/70/98/19/604709819.db2.gz KETSCZMDPZVWAG-VIFPVBQESA-N -1 0 332.310 3.698 20 0 EHADRM CCCOc1cc(C)ccc1NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000262114233 604714165 /nfs/dbraw/zinc/71/41/65/604714165.db2.gz FSYDBBVTTVUAAZ-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM CC(C)C[C@@H](NC(=O)Cc1cccc(C(=O)[O-])c1)c1cccs1 ZINC000540775251 604718855 /nfs/dbraw/zinc/71/88/55/604718855.db2.gz JAINSVBMVXPTPQ-OAHLLOKOSA-N -1 0 331.437 3.892 20 0 EHADRM Cc1ccc(-c2nc(C(=O)N(C)C3(C(=O)[O-])CCCC3)cs2)cc1 ZINC000832907446 604722102 /nfs/dbraw/zinc/72/21/02/604722102.db2.gz VMJDZSSGBYFOII-UHFFFAOYSA-N -1 0 344.436 3.588 20 0 EHADRM CC1(CNC(=O)Nc2ccc(NC(=O)[O-])cc2)Cc2ccccc2C1 ZINC000833563352 604724345 /nfs/dbraw/zinc/72/43/45/604724345.db2.gz JAAUINOXSVYWFJ-UHFFFAOYSA-N -1 0 339.395 3.703 20 0 EHADRM COC1CCC(CC(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)CC1 ZINC000833719261 604725699 /nfs/dbraw/zinc/72/56/99/604725699.db2.gz KSOFQJJBRVJTAD-UHFFFAOYSA-N -1 0 349.427 3.706 20 0 EHADRM C[C@H](CC(=O)N([C@H](C)c1ccco1)C1CC1)C1CCN(C(=O)[O-])CC1 ZINC000824558236 604743088 /nfs/dbraw/zinc/74/30/88/604743088.db2.gz MGBCRJCPBMULSX-ZIAGYGMSSA-N -1 0 348.443 3.748 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)Nc1n[nH]c2c1cccc2Cl ZINC000833288155 604748759 /nfs/dbraw/zinc/74/87/59/604748759.db2.gz SRJTVAQSSAKRKN-UHFFFAOYSA-N -1 0 330.731 3.559 20 0 EHADRM O=C([O-])CCSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1 ZINC000833237797 604751204 /nfs/dbraw/zinc/75/12/04/604751204.db2.gz ADNWEWZEVMJGHH-UHFFFAOYSA-N -1 0 349.799 3.748 20 0 EHADRM COC1CCC(CC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC000833719479 604752830 /nfs/dbraw/zinc/75/28/30/604752830.db2.gz PCTNUUPQEVQSJJ-UHFFFAOYSA-N -1 0 325.792 3.572 20 0 EHADRM CN(C)c1cccc([C@H]2CCCN2[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000830643093 604770220 /nfs/dbraw/zinc/77/02/20/604770220.db2.gz CAZINRBMTXHXFK-RTBURBONSA-N -1 0 342.414 3.855 20 0 EHADRM O=C([O-])c1occc1CNc1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000833785221 604778239 /nfs/dbraw/zinc/77/82/39/604778239.db2.gz KOVPAGZXGVRUEC-UHFFFAOYSA-N -1 0 337.379 3.790 20 0 EHADRM COc1ccc(NC(=O)Nc2cc(F)cc(F)c2)cc1NC(=O)[O-] ZINC000829469718 604779031 /nfs/dbraw/zinc/77/90/31/604779031.db2.gz UZGLABFLRDINSX-UHFFFAOYSA-N -1 0 337.282 3.707 20 0 EHADRM CC1(C)C[C@@H](NC(=O)CCc2ccccc2C(=O)[O-])c2ccccc21 ZINC000263540560 604791639 /nfs/dbraw/zinc/79/16/39/604791639.db2.gz QPQWSFDOOJQHDX-GOSISDBHSA-N -1 0 337.419 3.856 20 0 EHADRM C[C@H](SCC(=O)NCc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000827902872 604800305 /nfs/dbraw/zinc/80/03/05/604800305.db2.gz WKMKJLHFOLJMBB-ZDUSSCGKSA-N -1 0 344.436 3.887 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCCC(F)(F)F)c1ccc(Cl)cc1 ZINC000833775677 604808378 /nfs/dbraw/zinc/80/83/78/604808378.db2.gz KCEASOGPWQMZQB-NSHDSACASA-N -1 0 337.725 3.705 20 0 EHADRM Cc1cc(F)c2c(c1)CCCN2C(=O)CCc1ccccc1C(=O)[O-] ZINC000833744859 604812734 /nfs/dbraw/zinc/81/27/34/604812734.db2.gz KOHXPGJYNNJHOU-UHFFFAOYSA-N -1 0 341.382 3.744 20 0 EHADRM CC(C)c1ncc(C(=O)Oc2cc(Cl)ccc2C(=O)[O-])s1 ZINC000827158858 604812776 /nfs/dbraw/zinc/81/27/76/604812776.db2.gz SMKPFFXRNBRYHD-UHFFFAOYSA-N -1 0 325.773 3.837 20 0 EHADRM Cc1cccc(C2=CCN(C(=O)Cc3cccc(C(=O)[O-])c3)CC2)c1 ZINC000432129224 604816887 /nfs/dbraw/zinc/81/68/87/604816887.db2.gz KAAHRGBSYKIGJA-UHFFFAOYSA-N -1 0 335.403 3.552 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828184212 604823914 /nfs/dbraw/zinc/82/39/14/604823914.db2.gz OMHNBRQUGUQGLW-IUODEOHRSA-N -1 0 327.355 3.542 20 0 EHADRM Cc1ccc2cc(C(=O)N3C[C@H](CC(=O)[O-])c4ccccc43)ccc2n1 ZINC000832958898 604828781 /nfs/dbraw/zinc/82/87/81/604828781.db2.gz BBIAQQKTTRNOOI-INIZCTEOSA-N -1 0 346.386 3.762 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1F ZINC000833141711 604832225 /nfs/dbraw/zinc/83/22/25/604832225.db2.gz XXVZVGZEBCHSOY-GXSJLCMTSA-N -1 0 347.308 3.622 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)C2CCCCCC2)cc1Cl ZINC000237955806 604849497 /nfs/dbraw/zinc/84/94/97/604849497.db2.gz RALDVXSTDGKGOV-UHFFFAOYSA-N -1 0 325.792 3.712 20 0 EHADRM C[C@@H]1CC[C@H](CC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)C1 ZINC000828221856 604850273 /nfs/dbraw/zinc/85/02/73/604850273.db2.gz ZTTDJOODNNMYSP-MNOVXSKESA-N -1 0 325.792 3.568 20 0 EHADRM COc1ccc2oc(C(=O)N(C)C3(C(=O)[O-])CCCCC3)c(C)c2c1 ZINC000582099532 604868213 /nfs/dbraw/zinc/86/82/13/604868213.db2.gz LAXQALBRWILBCA-UHFFFAOYSA-N -1 0 345.395 3.609 20 0 EHADRM Cc1cnc(CNc2cc(C(=O)[O-])c(F)cc2Br)s1 ZINC000833754224 604871912 /nfs/dbraw/zinc/87/19/12/604871912.db2.gz SQMQIBLFRLSXTO-UHFFFAOYSA-N -1 0 345.193 3.663 20 0 EHADRM C/C=C\c1ccc(OC(=O)c2ccc(C(=O)[O-])c(F)c2)c(OC)c1 ZINC000828543371 604878327 /nfs/dbraw/zinc/87/83/27/604878327.db2.gz SQWXJBARXIVJQS-ARJAWSKDSA-N -1 0 330.311 3.785 20 0 EHADRM Cc1ccc2c(CC(=O)N[C@@H](CC(=O)[O-])c3ccccc3)coc2c1 ZINC000013224579 604879847 /nfs/dbraw/zinc/87/98/47/604879847.db2.gz ZQVWGOJCQVAZIH-KRWDZBQOSA-N -1 0 337.375 3.616 20 0 EHADRM CC[C@H](OC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccc(OC)cc1 ZINC000829005325 604883111 /nfs/dbraw/zinc/88/31/11/604883111.db2.gz YZZMMKFWEXEVRZ-INIZCTEOSA-N -1 0 332.327 3.841 20 0 EHADRM Cc1nc(SC[C@@H]2CC(C(=O)[O-])=C(C)O2)[nH]c1Cc1ccccc1 ZINC000833580787 604885572 /nfs/dbraw/zinc/88/55/72/604885572.db2.gz JAOIQHPJERCXIP-AWEZNQCLSA-N -1 0 344.436 3.549 20 0 EHADRM Cc1nc(SC[C@H]2CC(C(=O)[O-])=C(C)O2)[nH]c1Cc1ccccc1 ZINC000833580788 604885809 /nfs/dbraw/zinc/88/58/09/604885809.db2.gz JAOIQHPJERCXIP-CQSZACIVSA-N -1 0 344.436 3.549 20 0 EHADRM Cc1cccc(-c2cncc(C(=O)Oc3ccccc3CC(=O)[O-])c2)c1 ZINC000832961310 604886001 /nfs/dbraw/zinc/88/60/01/604886001.db2.gz SWUTZIHJZZFEMD-UHFFFAOYSA-N -1 0 347.370 3.903 20 0 EHADRM CC1=C(C(=O)[O-])C[C@H](CSc2nnc(-c3cc(C)cc(C)c3)o2)O1 ZINC000833582652 604888653 /nfs/dbraw/zinc/88/86/53/604888653.db2.gz XOALYKZBBNJMFM-CYBMUJFWSA-N -1 0 346.408 3.593 20 0 EHADRM C[C@]1(NC(=O)Cc2ccc(Cl)c(Cl)c2)CCCC[C@H]1C(=O)[O-] ZINC000262850946 604890146 /nfs/dbraw/zinc/89/01/46/604890146.db2.gz SHCCRZWBQROISH-ZBEGNZNMSA-N -1 0 344.238 3.686 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1cccc(F)c1 ZINC000679104920 604891953 /nfs/dbraw/zinc/89/19/53/604891953.db2.gz FMRPMVAIPPQQSX-UKRRQHHQSA-N -1 0 335.419 3.669 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2Cc3ccccc3C(F)(F)C2)cc1 ZINC000833320336 604892202 /nfs/dbraw/zinc/89/22/02/604892202.db2.gz YRCBIEXBSCTUFE-UHFFFAOYSA-N -1 0 332.306 3.524 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cc3ccccc3s2)C1 ZINC000321966650 604892841 /nfs/dbraw/zinc/89/28/41/604892841.db2.gz AOHRHAOCZGHAEF-CYBMUJFWSA-N -1 0 331.437 3.864 20 0 EHADRM O=C([O-])c1cncc(NC(=O)c2cc3c(ccc4ccccc34)[nH]2)c1 ZINC000833341156 604905139 /nfs/dbraw/zinc/90/51/39/604905139.db2.gz JURDMIUEUVRSLS-UHFFFAOYSA-N -1 0 331.331 3.667 20 0 EHADRM Cc1cc(C)cc(CCC(=O)NCCc2ccc(NC(=O)[O-])cc2)c1 ZINC000832876875 604905181 /nfs/dbraw/zinc/90/51/81/604905181.db2.gz PXSVTGFASHVMIV-UHFFFAOYSA-N -1 0 340.423 3.685 20 0 EHADRM CCC(=O)c1cccc(NC(=O)N[C@@H](CC(=O)[O-])c2cccs2)c1 ZINC000828580237 604906674 /nfs/dbraw/zinc/90/66/74/604906674.db2.gz DLFAUFCNBZSRAB-ZDUSSCGKSA-N -1 0 346.408 3.678 20 0 EHADRM Nc1c(Cl)cc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1Cl ZINC000833090596 604919455 /nfs/dbraw/zinc/91/94/55/604919455.db2.gz PABPGQFCLKPKPH-UHFFFAOYSA-N -1 0 343.141 3.665 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000827682424 604920189 /nfs/dbraw/zinc/92/01/89/604920189.db2.gz XOALGIBKDDOOOI-NSHDSACASA-N -1 0 348.786 3.686 20 0 EHADRM C[C@H](CC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21)C1CCN(C(=O)[O-])CC1 ZINC000824565907 604921430 /nfs/dbraw/zinc/92/14/30/604921430.db2.gz UGAQDNCWRVQVAE-TXCZRRACSA-N -1 0 336.476 3.582 20 0 EHADRM CCC(C)(CC)NC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000828677317 604925381 /nfs/dbraw/zinc/92/53/81/604925381.db2.gz KKJWWMYTNFNTLJ-UHFFFAOYSA-N -1 0 328.796 3.504 20 0 EHADRM CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000829722053 604928917 /nfs/dbraw/zinc/92/89/17/604928917.db2.gz FZUVVQHYRIHUCQ-UHFFFAOYSA-N -1 0 335.762 3.840 20 0 EHADRM CCCCC[C@@H]1CCCN1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000829347494 604945108 /nfs/dbraw/zinc/94/51/08/604945108.db2.gz KAUDPFNYIQOHAH-OAHLLOKOSA-N -1 0 334.416 3.727 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)N[C@@H]2CCOC3(CCCCC3)C2)c1 ZINC000833287992 604949543 /nfs/dbraw/zinc/94/95/43/604949543.db2.gz IHOGDLOEDOJLBB-OAHLLOKOSA-N -1 0 347.415 3.780 20 0 EHADRM CCC[C@@H](C)[C@@H]1CCCN1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000829209300 604952673 /nfs/dbraw/zinc/95/26/73/604952673.db2.gz UIBXEBFQRYATII-PBHICJAKSA-N -1 0 348.443 3.973 20 0 EHADRM CC(C)CC[C@@H]1CCCN1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000826845498 604952704 /nfs/dbraw/zinc/95/27/04/604952704.db2.gz VKDGYEZSXYZADX-INIZCTEOSA-N -1 0 348.443 3.973 20 0 EHADRM CC(C)Cc1ccc(-c2csc(NC(=O)[C@H](C)NC(=O)[O-])n2)cc1 ZINC000833491158 604969665 /nfs/dbraw/zinc/96/96/65/604969665.db2.gz HWIHDWFMFYIULD-NSHDSACASA-N -1 0 347.440 3.603 20 0 EHADRM CC(C)C[C@@H]1CCCCN1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000826831543 604977203 /nfs/dbraw/zinc/97/72/03/604977203.db2.gz DBLAODDBWDQZJN-ZDUSSCGKSA-N -1 0 339.461 3.593 20 0 EHADRM C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1cccc(C(=O)[O-])c1O ZINC000827580361 604997714 /nfs/dbraw/zinc/99/77/14/604997714.db2.gz ARXJFVYIRRHAIZ-JTQLQIEISA-N -1 0 349.383 3.596 20 0 EHADRM Cc1ccccc1-c1noc([C@@H](C)OC(=O)CC(C)(C)CC(=O)[O-])n1 ZINC000833752878 605033551 /nfs/dbraw/zinc/03/35/51/605033551.db2.gz COZFAZMIAPSXFN-GFCCVEGCSA-N -1 0 346.383 3.540 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccccc2F)ccc1Br ZINC000132334294 605063837 /nfs/dbraw/zinc/06/38/37/605063837.db2.gz SXXGBDRVGKFGEI-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccnc(Oc2ccccc2)c1 ZINC000833454844 605068373 /nfs/dbraw/zinc/06/83/73/605068373.db2.gz VDJLNNRHIMASQZ-UHFFFAOYSA-N -1 0 328.368 3.703 20 0 EHADRM CC(C)Cn1c(S[C@@H](C(=O)[O-])C2CC2)nnc1-c1ccccc1F ZINC000833494332 605070132 /nfs/dbraw/zinc/07/01/32/605070132.db2.gz NZASQHXQWQAGLL-CQSZACIVSA-N -1 0 349.431 3.696 20 0 EHADRM CC(C)N(C(=O)CNc1cc(C(=O)[O-])ccc1Cl)c1ccccc1 ZINC000833495496 605079440 /nfs/dbraw/zinc/07/94/40/605079440.db2.gz DZCZSZOVUSOMGJ-UHFFFAOYSA-N -1 0 346.814 3.892 20 0 EHADRM Cc1nc(C2CCCCC2)sc1C(=O)NCCCCCC(=O)[O-] ZINC000833755121 605081213 /nfs/dbraw/zinc/08/12/13/605081213.db2.gz AILRCVWRTDHXKN-UHFFFAOYSA-N -1 0 338.473 3.874 20 0 EHADRM C[C@@H](c1ccccc1Br)N(C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833549766 605104282 /nfs/dbraw/zinc/10/42/82/605104282.db2.gz NZAVUTRIKBGLSL-JTQLQIEISA-N -1 0 337.217 3.668 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000833452105 605110019 /nfs/dbraw/zinc/11/00/19/605110019.db2.gz ZZEZBLQKGQWSDR-CQSZACIVSA-N -1 0 344.411 3.772 20 0 EHADRM CCOc1cc(Cl)ccc1CNC(=O)c1ccccc1NC(=O)[O-] ZINC000833660402 605111808 /nfs/dbraw/zinc/11/18/08/605111808.db2.gz LAAYNOBSPZEGKT-UHFFFAOYSA-N -1 0 348.786 3.759 20 0 EHADRM CC(C)C[C@@H](OC(=O)c1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000833481999 605116634 /nfs/dbraw/zinc/11/66/34/605116634.db2.gz YYZLWIMUNCPFRT-CYBMUJFWSA-N -1 0 332.318 3.838 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N1CCS[C@H](c2ccccc2)C1 ZINC000833783729 605122817 /nfs/dbraw/zinc/12/28/17/605122817.db2.gz HJOUKHBPJXVIDZ-INIZCTEOSA-N -1 0 342.420 3.707 20 0 EHADRM CC[C@@H](C)[C@H](C)NC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000132522096 605128629 /nfs/dbraw/zinc/12/86/29/605128629.db2.gz DJXVQVQJEPVBHP-BDAKNGLRSA-N -1 0 343.221 3.703 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N1CCSC[C@H]1c1ccccc1 ZINC000833783808 605130288 /nfs/dbraw/zinc/13/02/88/605130288.db2.gz SAVZAYWNSSYXKE-INIZCTEOSA-N -1 0 342.420 3.707 20 0 EHADRM C[C@H](c1ccco1)N(C(=O)Nc1ccc(F)cc1C(=O)[O-])C1CC1 ZINC000833549361 605134314 /nfs/dbraw/zinc/13/43/14/605134314.db2.gz LQSDEHMAMYCFMI-SNVBAGLBSA-N -1 0 332.331 3.874 20 0 EHADRM CC(C)(C)[C@H](NC(=O)Cc1cc2c(ccc3ccccc23)o1)C(=O)[O-] ZINC000683309076 605149120 /nfs/dbraw/zinc/14/91/20/605149120.db2.gz VSBPPGVXUWBDBR-GOSISDBHSA-N -1 0 339.391 3.744 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2cc(F)ccc2N2CCCCC2)CC1 ZINC000833772257 605149767 /nfs/dbraw/zinc/14/97/67/605149767.db2.gz MWDVWWWFLBJFRP-UHFFFAOYSA-N -1 0 348.418 3.646 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)Nc2nc(CCCC(=O)[O-])cs2)CC1 ZINC000833508581 605150454 /nfs/dbraw/zinc/15/04/54/605150454.db2.gz NHZFKJXSPXTHAD-JOCQHMNTSA-N -1 0 338.473 3.951 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)OCc2cc(C(=O)[O-])c(C)o2)c1C(C)C ZINC000833400218 605159378 /nfs/dbraw/zinc/15/93/78/605159378.db2.gz DLHVQVCBWCVIBQ-UHFFFAOYSA-N -1 0 347.367 3.606 20 0 EHADRM Cc1c(C(=O)[O-])csc1NC(=O)c1coc(-c2ccccc2)n1 ZINC000833741668 605160066 /nfs/dbraw/zinc/16/00/66/605160066.db2.gz SUURVUDWNRVPPL-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM CC(C)(C)Cc1csc(NC(=O)Cc2cccc(C(=O)[O-])c2)n1 ZINC000833430064 605161187 /nfs/dbraw/zinc/16/11/87/605161187.db2.gz GVONOIQSRALAPZ-UHFFFAOYSA-N -1 0 332.425 3.611 20 0 EHADRM CCC(CC)n1ccc(-c2nc([C@H](CC(C)C)NC(=O)[O-])no2)n1 ZINC000826574847 605179431 /nfs/dbraw/zinc/17/94/31/605179431.db2.gz ATSAODOLVXUAGW-ZDUSSCGKSA-N -1 0 335.408 3.649 20 0 EHADRM CC1=C(C(=O)OCc2coc(-c3ccc(C(=O)[O-])cc3)n2)CCC1 ZINC000833579719 605192922 /nfs/dbraw/zinc/19/29/22/605192922.db2.gz QONMHQGQVPPLRR-UHFFFAOYSA-N -1 0 327.336 3.583 20 0 EHADRM CC(C)(C)SCCCC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000833446489 605198229 /nfs/dbraw/zinc/19/82/29/605198229.db2.gz DOLMSZLXXDPRLC-CQSZACIVSA-N -1 0 345.411 3.519 20 0 EHADRM CC[C@H](C)Oc1cc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)ccn1 ZINC000683313859 605203122 /nfs/dbraw/zinc/20/31/22/605203122.db2.gz VRORWYWNJDYJFN-JTQLQIEISA-N -1 0 348.786 3.863 20 0 EHADRM CC[C@@H](C)Oc1cc(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)ccn1 ZINC000833641211 605213530 /nfs/dbraw/zinc/21/35/30/605213530.db2.gz QOXGSCKRAOZCPN-SNVBAGLBSA-N -1 0 347.346 3.740 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(F)c(Cl)c1F)c1ccccc1 ZINC000833772943 605216496 /nfs/dbraw/zinc/21/64/96/605216496.db2.gz NDLYLIPFOHKQFQ-GFCCVEGCSA-N -1 0 339.725 3.564 20 0 EHADRM C[C@H](Nc1ccc(CN(C)C(=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC000833524098 605218050 /nfs/dbraw/zinc/21/80/50/605218050.db2.gz ADTGFHWFZLMDLP-LBPRGKRZSA-N -1 0 328.368 3.698 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)c1cncc(-c2ccccc2)c1)C(=O)[O-] ZINC000833429528 605230211 /nfs/dbraw/zinc/23/02/11/605230211.db2.gz MDLQOOMYTFLOJW-INIZCTEOSA-N -1 0 327.380 3.795 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)c1ccc2ccc(Cl)cc2n1)C(=O)[O-] ZINC000833430449 605233889 /nfs/dbraw/zinc/23/38/89/605233889.db2.gz WPSGUBNKLQHLHY-CQSZACIVSA-N -1 0 335.787 3.934 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1ccc(NC(=O)[O-])c(OC)c1 ZINC000826581889 605240208 /nfs/dbraw/zinc/24/02/08/605240208.db2.gz QZZQLEUTAILMEB-UHFFFAOYSA-N -1 0 346.387 3.595 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000820278021 605243736 /nfs/dbraw/zinc/24/37/36/605243736.db2.gz DVGUHCNREGJSIN-UHFFFAOYSA-N -1 0 333.363 3.642 20 0 EHADRM COc1cccc(CN(CC(C)C)C(=O)CC(C)(C)CC(=O)[O-])c1 ZINC000630227611 605257389 /nfs/dbraw/zinc/25/73/89/605257389.db2.gz PPEDDTSJPBWZEN-UHFFFAOYSA-N -1 0 335.444 3.571 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)[C@H](CC)c1ccc(OC)cc1 ZINC000833680523 605276332 /nfs/dbraw/zinc/27/63/32/605276332.db2.gz KQRYFSMRZTUUIZ-OAHLLOKOSA-N -1 0 346.379 3.786 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(NC(=O)[O-])c(F)c1)c1ccncc1 ZINC000833643013 605283295 /nfs/dbraw/zinc/28/32/95/605283295.db2.gz LNPHEXXNRUQEDR-CYBMUJFWSA-N -1 0 332.335 3.583 20 0 EHADRM CC(C)[C@@H](C)C(=O)O[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000833469416 605283968 /nfs/dbraw/zinc/28/39/68/605283968.db2.gz WWZCFYFWHOEZRW-ZWNOBZJWSA-N -1 0 332.318 3.536 20 0 EHADRM C[C@@H](Cc1noc(-c2cccc(Cl)c2Cl)n1)N(C)C(=O)[O-] ZINC000825036350 605308733 /nfs/dbraw/zinc/30/87/33/605308733.db2.gz MVPICWGKDAPTFE-ZETCQYMHSA-N -1 0 330.171 3.584 20 0 EHADRM COCCC[C@H](C)C(=O)OCc1c2ccccc2sc1C(=O)[O-] ZINC000833724495 605314810 /nfs/dbraw/zinc/31/48/10/605314810.db2.gz DWZGWXOUTYETHC-NSHDSACASA-N -1 0 336.409 3.705 20 0 EHADRM COc1ccc(NC(=O)[C@H]2CCCc3sccc32)cc1NC(=O)[O-] ZINC000829446710 605364889 /nfs/dbraw/zinc/36/48/89/605364889.db2.gz BSLGZXOWHVMXMN-LBPRGKRZSA-N -1 0 346.408 3.905 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)[C@@H]2CCCc3sccc32)c1 ZINC000829469642 605367356 /nfs/dbraw/zinc/36/73/56/605367356.db2.gz UDWMLAOFHXSWHV-GFCCVEGCSA-N -1 0 346.408 3.905 20 0 EHADRM CN(C(=O)CC[C@@H]1CCN(C(=O)[O-])C1)c1cccc2ccccc21 ZINC000833870269 605423774 /nfs/dbraw/zinc/42/37/74/605423774.db2.gz XXKLXWDDPLLFKH-CQSZACIVSA-N -1 0 326.396 3.583 20 0 EHADRM C/C(=C/CN1CCC[C@@H]1c1ccc(Br)s1)C(=O)[O-] ZINC000833381885 605430585 /nfs/dbraw/zinc/43/05/85/605430585.db2.gz FPCACBGICHORNV-ABRRARGCSA-N -1 0 330.247 3.678 20 0 EHADRM Cc1ccc(C[C@@H](C)C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)cc1 ZINC000833748611 605442537 /nfs/dbraw/zinc/44/25/37/605442537.db2.gz PQJOOHCRZLWSCR-CQSZACIVSA-N -1 0 326.396 3.927 20 0 EHADRM Cc1ccc(C[C@@H](C)C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000833748221 605450411 /nfs/dbraw/zinc/45/04/11/605450411.db2.gz DYAGRGQWPCIQDG-WBVHZDCISA-N -1 0 337.419 3.779 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000832828648 605509765 /nfs/dbraw/zinc/50/97/65/605509765.db2.gz JNBZFBFJAJVPHU-UHFFFAOYSA-N -1 0 340.354 3.845 20 0 EHADRM CC(C)(C)c1ncc(/C=C/C(=O)OCc2ccccc2C(=O)[O-])s1 ZINC000833451423 605513781 /nfs/dbraw/zinc/51/37/81/605513781.db2.gz UQCHAKWWQMTNRU-CMDGGOBGSA-N -1 0 345.420 3.895 20 0 EHADRM CN(C(=O)[O-])c1ccc(OCc2noc(C3CCCCC3)n2)cc1 ZINC000827921233 605514291 /nfs/dbraw/zinc/51/42/91/605514291.db2.gz IJTGMHVZSZDUGD-UHFFFAOYSA-N -1 0 331.372 3.811 20 0 EHADRM CCCN(C(=O)Nc1cc(C)ccc1F)C1CCN(C(=O)[O-])CC1 ZINC000826875647 605539006 /nfs/dbraw/zinc/53/90/06/605539006.db2.gz MDUGXCPTLAZSHL-UHFFFAOYSA-N -1 0 337.395 3.520 20 0 EHADRM CCCN(C(=O)Nc1ccc(C)cc1C)C1CCN(C(=O)[O-])CC1 ZINC000826879500 605539215 /nfs/dbraw/zinc/53/92/15/605539215.db2.gz MVTHNYAQLKIOKA-UHFFFAOYSA-N -1 0 333.432 3.690 20 0 EHADRM O=C([O-])N1CCC[C@@H](NC(=O)Nc2cc(C(F)F)ccc2Cl)C1 ZINC000831752216 605557215 /nfs/dbraw/zinc/55/72/15/605557215.db2.gz HUPYUISKUAFXCD-SECBINFHSA-N -1 0 347.749 3.542 20 0 EHADRM O=C([O-])N[C@H](CC(=O)Nc1cccc2ncccc21)c1ccccc1 ZINC000832113282 605567261 /nfs/dbraw/zinc/56/72/61/605567261.db2.gz AAYNNVHSMUKDAO-QGZVFWFLSA-N -1 0 335.363 3.572 20 0 EHADRM C[C@H]1CN(C(=O)C[C@@H](NC(=O)[O-])c2ccccc2)Cc2ccccc21 ZINC000825974405 605568372 /nfs/dbraw/zinc/56/83/72/605568372.db2.gz IPIORTUSFNKFRU-KBXCAEBGSA-N -1 0 338.407 3.531 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)CC(C)(C)C1 ZINC000649253350 605623558 /nfs/dbraw/zinc/62/35/58/605623558.db2.gz FNEXGJZMZSZJAK-TZMCWYRMSA-N -1 0 344.455 3.736 20 0 EHADRM Cc1cc(C(=O)N(Cc2ccccn2)C(C)C)ccc1NC(=O)[O-] ZINC000829919406 605629860 /nfs/dbraw/zinc/62/98/60/605629860.db2.gz JPXIJKHAVHYBCB-UHFFFAOYSA-N -1 0 327.384 3.531 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cnc(-c3cccnc3)s2)cc1 ZINC000834262059 605637905 /nfs/dbraw/zinc/63/79/05/605637905.db2.gz NDAKZZQZZGNAPP-UHFFFAOYSA-N -1 0 340.364 3.547 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2ccccc2CN(C)C(=O)[O-])cn1 ZINC000824464883 605651985 /nfs/dbraw/zinc/65/19/85/605651985.db2.gz WZEZBYGWOSJSHS-UHFFFAOYSA-N -1 0 327.384 3.567 20 0 EHADRM Cc1ncc(-c2ccc(NC(=O)c3ccccc3NC(=O)[O-])cc2)o1 ZINC000738881323 605676147 /nfs/dbraw/zinc/67/61/47/605676147.db2.gz HCAMCVLPNDEEHZ-UHFFFAOYSA-N -1 0 337.335 3.992 20 0 EHADRM O=C([O-])NC1CCC(Nc2ccccc2OCC(F)(F)F)CC1 ZINC000834170294 605696301 /nfs/dbraw/zinc/69/63/01/605696301.db2.gz YJLWYUAXQXHZHP-UHFFFAOYSA-N -1 0 332.322 3.618 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)c2ccc(NC(=O)[O-])c(C)c2)s1 ZINC000830289227 605698046 /nfs/dbraw/zinc/69/80/46/605698046.db2.gz REGQDRXDTDDGNM-NSHDSACASA-N -1 0 332.425 3.816 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000683301915 605699661 /nfs/dbraw/zinc/69/96/61/605699661.db2.gz AUKWDUQPJVCIOT-UHFFFAOYSA-N -1 0 333.403 3.723 20 0 EHADRM CCC(CC)c1cc(CNC(=O)c2ccc(NC(=O)[O-])c(C)c2)on1 ZINC000826576703 605701188 /nfs/dbraw/zinc/70/11/88/605701188.db2.gz YRZSRYQUCDQDEW-UHFFFAOYSA-N -1 0 345.399 3.907 20 0 EHADRM Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)CCC3)ccc1NC(=O)[O-] ZINC000829966102 605708133 /nfs/dbraw/zinc/70/81/33/605708133.db2.gz SWCNZPIOBSBQJE-UHFFFAOYSA-N -1 0 338.363 3.856 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)NCC2(c3ccccc3)CCC2)c1 ZINC000834267165 605757651 /nfs/dbraw/zinc/75/76/51/605757651.db2.gz ORIDRNGPKWUEEZ-UHFFFAOYSA-N -1 0 338.407 3.557 20 0 EHADRM CCOc1ccc([C@H](NC(=O)CCCC(=O)[O-])c2ccccc2)cc1 ZINC000833664380 605760756 /nfs/dbraw/zinc/76/07/56/605760756.db2.gz VCVOFKCCHLPWSD-HXUWFJFHSA-N -1 0 341.407 3.546 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N2CCc3ccc(Cl)cc3C2)c1 ZINC000834264188 605776631 /nfs/dbraw/zinc/77/66/31/605776631.db2.gz BYFVHJJWOKRTKG-UHFFFAOYSA-N -1 0 344.798 3.557 20 0 EHADRM Cc1coc(-c2cc(NC(=O)[C@H](CC(C)C)NC(=O)[O-])ccc2C)n1 ZINC000830650197 605797479 /nfs/dbraw/zinc/79/74/79/605797479.db2.gz BMMVLUQWXHBECQ-HNNXBMFYSA-N -1 0 345.399 3.579 20 0 EHADRM CCC(CC)n1nc(C(=O)Oc2ccc(CC(=O)[O-])cc2F)cc1C ZINC000833642012 605801591 /nfs/dbraw/zinc/80/15/91/605801591.db2.gz VYJDXUNCZMLJME-UHFFFAOYSA-N -1 0 348.374 3.538 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)NC2(C(F)(F)F)CCCCC2)c1 ZINC000834265648 605813538 /nfs/dbraw/zinc/81/35/38/605813538.db2.gz PBGVSQLFFJEEML-UHFFFAOYSA-N -1 0 344.333 3.700 20 0 EHADRM C[C@H](OC(=O)c1cc(C(=O)[O-])no1)c1ccc(Cl)c(Cl)c1 ZINC000833531991 605825550 /nfs/dbraw/zinc/82/55/50/605825550.db2.gz MPMUOTZCAVWSQD-LURJTMIESA-N -1 0 330.123 3.598 20 0 EHADRM CCC1CCC(N(C)C(=O)c2sc(NC(=O)[O-])nc2C)CC1 ZINC000833844184 605940800 /nfs/dbraw/zinc/94/08/00/605940800.db2.gz IBGXNAWTEIJSDL-UHFFFAOYSA-N -1 0 325.434 3.582 20 0 EHADRM O=C([O-])NC[C@H]1CCCCN1C(=O)Nc1cccc(Cl)c1Cl ZINC000834217158 605958254 /nfs/dbraw/zinc/95/82/54/605958254.db2.gz BNMWOGUAVYJXGG-SECBINFHSA-N -1 0 346.214 3.647 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)Nc2ncc(C3CCCCC3)s2)o1 ZINC000834249472 605963319 /nfs/dbraw/zinc/96/33/19/605963319.db2.gz WKXWIMLLXJIEJE-UHFFFAOYSA-N -1 0 349.412 3.804 20 0 EHADRM CC(C)(C)Oc1ccccc1NC(=O)[C@@H]1CC12CCN(C(=O)[O-])CC2 ZINC000833791934 605964207 /nfs/dbraw/zinc/96/42/07/605964207.db2.gz YOAOXXXAKIYMBI-ZDUSSCGKSA-N -1 0 346.427 3.583 20 0 EHADRM Cc1cccnc1CN[C@@H](CNC(=O)[O-])c1ccc2ccccc2c1 ZINC000833909526 605973818 /nfs/dbraw/zinc/97/38/18/605973818.db2.gz CSZBDPPXGVKHNF-IBGZPJMESA-N -1 0 335.407 3.642 20 0 EHADRM O=C([O-])NCCCCCCC(=O)Nc1cccc2ccc(O)cc21 ZINC000834237969 605982097 /nfs/dbraw/zinc/98/20/97/605982097.db2.gz MIPDDXOUVJNYHO-UHFFFAOYSA-N -1 0 330.384 3.702 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)CCCc1ccsc1 ZINC000833992486 606005599 /nfs/dbraw/zinc/00/55/99/606005599.db2.gz ZORKEGZFYRRXSC-UHFFFAOYSA-N -1 0 330.409 3.750 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)c1c(F)c(F)cc(F)c1F ZINC000833906665 606008687 /nfs/dbraw/zinc/00/86/87/606008687.db2.gz WGIQYEASHAQRPE-UHFFFAOYSA-N -1 0 342.248 3.894 20 0 EHADRM O=C([O-])N[C@H](CC(F)F)c1nc(-c2cccc3ccccc32)no1 ZINC000834136205 606009238 /nfs/dbraw/zinc/00/92/38/606009238.db2.gz CFFHAKKAGSUFOX-GFCCVEGCSA-N -1 0 333.294 3.854 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCCC[C@@H]1CCCC[C@@H]1O ZINC000833907169 606012696 /nfs/dbraw/zinc/01/26/96/606012696.db2.gz YZLVUEFLYLVJID-BBRMVZONSA-N -1 0 349.431 3.538 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCCC[C@H]1CCCC[C@H]1O ZINC000833907173 606013033 /nfs/dbraw/zinc/01/30/33/606013033.db2.gz YZLVUEFLYLVJID-CZUORRHYSA-N -1 0 349.431 3.538 20 0 EHADRM CCCN(C(=O)c1cnc(NC(=O)[O-])cn1)[C@@H](CC)c1ccccc1 ZINC000833854456 606016417 /nfs/dbraw/zinc/01/64/17/606016417.db2.gz URSSQIQHAHSFJX-HNNXBMFYSA-N -1 0 342.399 3.570 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)c2ccc(Cl)c(F)c2)c1 ZINC000834260909 606034112 /nfs/dbraw/zinc/03/41/12/606034112.db2.gz BWFOKMOYQDEHOJ-UHFFFAOYSA-N -1 0 326.686 3.960 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)NC[C@H]1CCCc2ccccc21 ZINC000834274769 606045402 /nfs/dbraw/zinc/04/54/02/606045402.db2.gz YDHNEEHZCIMJHE-MRXNPFEDSA-N -1 0 338.407 3.555 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N[C@H]1CCc2c1cccc2Cl ZINC000834270707 606051787 /nfs/dbraw/zinc/05/17/87/606051787.db2.gz AEKZADBVFHDIAV-INIZCTEOSA-N -1 0 344.798 3.776 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)NC1(Cc2ccccc2)CCC1 ZINC000834273933 606070438 /nfs/dbraw/zinc/07/04/38/606070438.db2.gz ZEOIZNARULJMKK-UHFFFAOYSA-N -1 0 338.407 3.601 20 0 EHADRM Cc1ccccc1CCNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000321357373 970763815 /nfs/dbraw/zinc/76/38/15/970763815.db2.gz MKRZQVHICHWILV-UHFFFAOYSA-N -1 0 332.787 3.711 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cccc2[nH]ccc21)c1ccc(Cl)c(F)c1 ZINC000181908280 939035030 /nfs/dbraw/zinc/03/50/30/939035030.db2.gz NXARLYKJOXNOOQ-OAHLLOKOSA-N -1 0 346.745 3.516 20 0 EHADRM Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)s1 ZINC000191475428 939037313 /nfs/dbraw/zinc/03/73/13/939037313.db2.gz YQPJLLOWFDBXSZ-INIZCTEOSA-N -1 0 325.389 3.765 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc(F)ccc1F)c1ccc2ccccc2c1 ZINC000191478140 939037563 /nfs/dbraw/zinc/03/75/63/939037563.db2.gz ZUBDKJYHGPNZRF-KRWDZBQOSA-N -1 0 341.313 3.674 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cccc2cc[nH]c21)c1ccc2ccccc2c1 ZINC000191486486 939037882 /nfs/dbraw/zinc/03/78/82/939037882.db2.gz OKVREOXNYAQCTD-IBGZPJMESA-N -1 0 344.370 3.877 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000237388240 939046597 /nfs/dbraw/zinc/04/65/97/939046597.db2.gz PIMROOLYAQKDQB-LLVKDONJSA-N -1 0 341.860 3.724 20 0 EHADRM Cc1c(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)oc2c1c(C)ccc2C ZINC000237664310 939048266 /nfs/dbraw/zinc/04/82/66/939048266.db2.gz PHBSZNPZLARBGJ-MRXNPFEDSA-N -1 0 337.375 3.914 20 0 EHADRM Cc1sc(C(=O)N[C@](C)(C(=O)[O-])C2CC2)cc1-c1ccc(F)cc1 ZINC000237700931 939048314 /nfs/dbraw/zinc/04/83/14/939048314.db2.gz DMPIDPYIXIOAIQ-SFHVURJKSA-N -1 0 347.411 3.846 20 0 EHADRM Cc1ccc(SCCC(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1C ZINC000237770095 939049554 /nfs/dbraw/zinc/04/95/54/939049554.db2.gz DVDBPTJTCWXKCO-SFHVURJKSA-N -1 0 343.448 3.728 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)c1ccccc1 ZINC000238002792 939054080 /nfs/dbraw/zinc/05/40/80/939054080.db2.gz NUSQIGNEYXIWPJ-AQNXPRMDSA-N -1 0 345.398 3.885 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2c(s1)CCCCC2)c1ccccc1 ZINC000238016737 939054679 /nfs/dbraw/zinc/05/46/79/939054679.db2.gz ZKANOFXBLJZTPQ-INIZCTEOSA-N -1 0 329.421 3.573 20 0 EHADRM CC[C@](NC(=O)/C=C(/C)c1cccc(F)c1)(C(=O)[O-])c1ccccc1 ZINC000766970979 939085117 /nfs/dbraw/zinc/08/51/17/939085117.db2.gz JLJQUHRNTIHLRP-XYELWLDHSA-N -1 0 341.382 3.735 20 0 EHADRM CC[C@@](NC(=O)/C=C(\C)c1cccc(F)c1)(C(=O)[O-])c1ccccc1 ZINC000766970976 939085235 /nfs/dbraw/zinc/08/52/35/939085235.db2.gz JLJQUHRNTIHLRP-PKHIPVCBSA-N -1 0 341.382 3.735 20 0 EHADRM C[C@](NC(=O)CC1CCC1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000263033057 939094902 /nfs/dbraw/zinc/09/49/02/939094902.db2.gz ORPKYIFXRKULCT-OAHLLOKOSA-N -1 0 330.211 3.600 20 0 EHADRM C[C@@](NC(=O)[C@@H]1CC=CCC1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000263044261 939095379 /nfs/dbraw/zinc/09/53/79/939095379.db2.gz PLHMDDANKUQYJW-HWPZZCPQSA-N -1 0 342.222 3.766 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@H](C(=O)[O-])c1cccc(C)c1C ZINC000263118804 939101467 /nfs/dbraw/zinc/10/14/67/939101467.db2.gz SBQDJHVXMFNAPP-OAGGEKHMSA-N -1 0 343.448 3.719 20 0 EHADRM Cc1ccsc1[C@H]1C[C@H]1C(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC000263136760 939103145 /nfs/dbraw/zinc/10/31/45/939103145.db2.gz TXKPNNGLAADRRB-XHSDSOJGSA-N -1 0 343.448 3.719 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1ccccc1C(F)(F)F)c1cccs1 ZINC000322442759 939125101 /nfs/dbraw/zinc/12/51/01/939125101.db2.gz SBKDAMHOHCEASG-NSHDSACASA-N -1 0 344.314 3.714 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2cccc(Oc3ccccc3)c2)CCC1 ZINC000326030375 939127213 /nfs/dbraw/zinc/12/72/13/939127213.db2.gz SOIHGJYMIAQHES-UHFFFAOYSA-N -1 0 326.352 3.608 20 0 EHADRM CCC1CCC(NC(=O)[C@H]2C[C@@H]2c2sccc2C)(C(=O)[O-])CC1 ZINC000346015876 939128508 /nfs/dbraw/zinc/12/85/08/939128508.db2.gz NIQDKBMFMKMFRK-HPGRBHQUSA-N -1 0 335.469 3.700 20 0 EHADRM CC(C)(C)c1ccc2cc(C(=O)NC3(C(=O)[O-])CCCC3)[nH]c2c1 ZINC000354174362 939129011 /nfs/dbraw/zinc/12/90/11/939129011.db2.gz XGCJHHFIONZVRP-UHFFFAOYSA-N -1 0 328.412 3.593 20 0 EHADRM Cc1cc([C@H](C)NC(=O)N[C@H](C(=O)[O-])c2cccs2)c(C)s1 ZINC000388645854 939133655 /nfs/dbraw/zinc/13/36/55/939133655.db2.gz RCXPMWHSWRGVMX-ZANVPECISA-N -1 0 338.454 3.613 20 0 EHADRM CC[C@@](NC(=O)CSC(C)(C)C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000795547365 939157958 /nfs/dbraw/zinc/15/79/58/939157958.db2.gz SJLZFQAVOYAFAN-INIZCTEOSA-N -1 0 343.876 3.678 20 0 EHADRM C[C@H](CC(=O)NC1(C(=O)[O-])CCCCC1)c1c[nH]c2ccccc21 ZINC000797432411 939158318 /nfs/dbraw/zinc/15/83/18/939158318.db2.gz YOIVOXDFPFGHEX-CYBMUJFWSA-N -1 0 328.412 3.565 20 0 EHADRM CCC1CCC(NC(=O)c2ccc(Cl)c(OC)c2)(C(=O)[O-])CC1 ZINC000431793186 939158631 /nfs/dbraw/zinc/15/86/31/939158631.db2.gz YLHYYFAAEVYPEQ-UHFFFAOYSA-N -1 0 339.819 3.502 20 0 EHADRM C[C@H](CC(=O)NC1(C(=O)[O-])CCCCCC1)c1ccc(F)cc1F ZINC000431987735 939170687 /nfs/dbraw/zinc/17/06/87/939170687.db2.gz QVZYZIHHQVAQMB-GFCCVEGCSA-N -1 0 339.382 3.752 20 0 EHADRM CC1(C)CCC[C@@](NC(=O)c2sccc2C(F)F)(C(=O)[O-])C1 ZINC000872739034 939263576 /nfs/dbraw/zinc/26/35/76/939263576.db2.gz XTHUTKOHTFQGLN-HNNXBMFYSA-N -1 0 331.384 3.839 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)N[C@@H](C(=O)[O-])C3CC3)cc2)cc1 ZINC000555851695 939306390 /nfs/dbraw/zinc/30/63/90/939306390.db2.gz KGICRDWZXWFDKM-QGZVFWFLSA-N -1 0 340.379 3.772 20 0 EHADRM CC(C)(C)c1ccc(CNC(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000567073432 939359502 /nfs/dbraw/zinc/35/95/02/939359502.db2.gz BSPIYMGKDYZBHO-QGZVFWFLSA-N -1 0 340.423 3.609 20 0 EHADRM O=C([O-])[C@@H](NC(=O)NC1CCCCCC1)c1ccc(Cl)c(F)c1 ZINC000567328240 939361225 /nfs/dbraw/zinc/36/12/25/939361225.db2.gz QRHKSGMGFCQCFC-AWEZNQCLSA-N -1 0 342.798 3.627 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccoc1C1CC1)c1ccc(Cl)c(F)c1 ZINC000567971205 939364424 /nfs/dbraw/zinc/36/44/24/939364424.db2.gz ZRVLBLCBXPHOGV-CYBMUJFWSA-N -1 0 337.734 3.505 20 0 EHADRM Cc1cc(C(=O)N[C@](C)(C(=O)[O-])C2CC2)sc1-c1ccccc1 ZINC000568246040 939365258 /nfs/dbraw/zinc/36/52/58/939365258.db2.gz DIJGUXXQLNFGRF-SFHVURJKSA-N -1 0 329.421 3.707 20 0 EHADRM CSCc1cccc(NC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)c1 ZINC000568670752 939368984 /nfs/dbraw/zinc/36/89/84/939368984.db2.gz AUNKVXOAVWAVDI-OAHLLOKOSA-N -1 0 336.457 3.705 20 0 EHADRM Cc1cccc([C@@H](NC(=O)Nc2ccc(F)c(C)c2)C(=O)[O-])c1C ZINC000570268899 939382312 /nfs/dbraw/zinc/38/23/12/939382312.db2.gz PMKXDTSAAYUHOU-MRXNPFEDSA-N -1 0 330.359 3.698 20 0 EHADRM CCc1cc(NC(=O)N[C@H](C(=O)[O-])c2ccc(F)c(C)c2)ccc1C ZINC000574354960 939725967 /nfs/dbraw/zinc/72/59/67/939725967.db2.gz AXNWWAISYBQWSU-KRWDZBQOSA-N -1 0 344.386 3.952 20 0 EHADRM Cc1ccc([C@H](NC(=O)CC2CC(OC(C)(C)C)C2)C(=O)[O-])cc1C ZINC000909698121 939726782 /nfs/dbraw/zinc/72/67/82/939726782.db2.gz YDUZMAVVTYHFAZ-PVARCSIZSA-N -1 0 347.455 3.529 20 0 EHADRM CCCOc1cccc(NC(=O)NC2(C(=O)[O-])CCCCCC2)c1 ZINC000579069239 939759048 /nfs/dbraw/zinc/75/90/48/939759048.db2.gz IFQUOTLAXJSMNR-UHFFFAOYSA-N -1 0 334.416 3.775 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)N[C@@H](C(=O)[O-])c2cccnc2)cc1 ZINC000910985650 939765544 /nfs/dbraw/zinc/76/55/44/939765544.db2.gz BEAHAHXLXGBXST-SIEMBAAWSA-N -1 0 338.407 3.550 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)N[C@@H](C(=O)[O-])c2cccnc2)cc1 ZINC000910985648 939765566 /nfs/dbraw/zinc/76/55/66/939765566.db2.gz BEAHAHXLXGBXST-MEDHRJKHSA-N -1 0 338.407 3.550 20 0 EHADRM O=C([O-])[C@@H](NC(=O)NCc1ccc2ccccc2c1)c1cccs1 ZINC000580691572 939773472 /nfs/dbraw/zinc/77/34/72/939773472.db2.gz VDCHCRMRBGBWDC-INIZCTEOSA-N -1 0 340.404 3.526 20 0 EHADRM CC[C@@](NC(=O)Nc1cccc(SC)c1)(C(=O)[O-])c1ccccc1 ZINC000583478187 939791099 /nfs/dbraw/zinc/79/10/99/939791099.db2.gz LKECELRWEDFLIX-SFHVURJKSA-N -1 0 344.436 3.920 20 0 EHADRM CCC[C@@H](C(=O)NC1(C(=O)[O-])CCC(CC)CC1)c1ccccn1 ZINC000630145498 939812609 /nfs/dbraw/zinc/81/26/09/939812609.db2.gz USFNRQAPXUGILJ-XAUUPUKJSA-N -1 0 332.444 3.505 20 0 EHADRM CCC[C@H](C(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1)c1ccccn1 ZINC000630193054 939816994 /nfs/dbraw/zinc/81/69/94/939816994.db2.gz ZXDRXAWAUXGTEH-WMZOPIPTSA-N -1 0 340.423 3.524 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@H]1CCCC2(CC2)C1)c1ccc(Cl)c(F)c1 ZINC000659140505 939847763 /nfs/dbraw/zinc/84/77/63/939847763.db2.gz PTICDYMQFISRLE-FZMZJTMJSA-N -1 0 339.794 3.691 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1ccc(CC(F)(F)F)cc1)C1CCCC1 ZINC000663036250 939850743 /nfs/dbraw/zinc/85/07/43/939850743.db2.gz NWGUOEKUXSEEBH-CYBMUJFWSA-N -1 0 329.318 3.621 20 0 EHADRM CC[C@@](NC(=O)C[C@H](C)n1cccc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000671667450 939863391 /nfs/dbraw/zinc/86/33/91/939863391.db2.gz GCWWCPWTZXNXGJ-UGSOOPFHSA-N -1 0 348.830 3.599 20 0 EHADRM CC[C@@H](CC(=O)N[C@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000675980486 939864998 /nfs/dbraw/zinc/86/49/98/939864998.db2.gz UEFOTHHXYSLSOW-YWZLYKJASA-N -1 0 325.408 3.687 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2c(s1)CCCCC2)c1ccccc1F ZINC000678989130 939869498 /nfs/dbraw/zinc/86/94/98/939869498.db2.gz WQFZONSBPUIUOJ-INIZCTEOSA-N -1 0 347.411 3.712 20 0 EHADRM CCCn1ccc2cc(NC(=O)NC3(C(=O)[O-])CCCC3)ccc21 ZINC000679556322 939869941 /nfs/dbraw/zinc/86/99/41/939869941.db2.gz WHBRSMSGKSTTPQ-UHFFFAOYSA-N -1 0 329.400 3.570 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000683306520 939870236 /nfs/dbraw/zinc/87/02/36/939870236.db2.gz DINZZBYIJJVNQP-IIBYNOLFSA-N -1 0 339.435 3.762 20 0 EHADRM O=C([O-])[C@@H](NC(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccccc1F ZINC000684714858 939871655 /nfs/dbraw/zinc/87/16/55/939871655.db2.gz GHWPUWRKDCVKSN-CFAJVAMVSA-N -1 0 348.418 3.610 20 0 EHADRM CC[C@@H](NC(=O)N[C@H](C(=O)[O-])c1ccccc1F)c1ccc(C)cc1 ZINC000684727858 939873480 /nfs/dbraw/zinc/87/34/80/939873480.db2.gz BIEPUAXIUICSLY-SJORKVTESA-N -1 0 344.386 3.710 20 0 EHADRM C[C@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000321564102 970783694 /nfs/dbraw/zinc/78/36/94/970783694.db2.gz NBCWAJFBALXJDK-NSHDSACASA-N -1 0 332.787 3.599 20 0 EHADRM CC1(C)CCCN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CC1 ZINC000321735510 970802232 /nfs/dbraw/zinc/80/22/32/970802232.db2.gz MUVPCURQLJYBSZ-UHFFFAOYSA-N -1 0 326.343 3.707 20 0 EHADRM CC(C)(C)c1csc(NC(=O)NC2(CC(=O)[O-])CCCCC2)n1 ZINC000321812121 970811248 /nfs/dbraw/zinc/81/12/48/970811248.db2.gz WMKSBPPEOJUNKC-UHFFFAOYSA-N -1 0 339.461 3.740 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)/C=C/c1ccc(Cl)s1)C2 ZINC000322351773 970874822 /nfs/dbraw/zinc/87/48/22/970874822.db2.gz DQYGRDLNTUKVJV-FNORWQNLSA-N -1 0 347.823 3.698 20 0 EHADRM O=C([O-])c1ccc([N+](=O)[O-])c(Sc2ccc3ccccc3c2)n1 ZINC000322443815 970887759 /nfs/dbraw/zinc/88/77/59/970887759.db2.gz GGNPOZRESIILTI-UHFFFAOYSA-N -1 0 326.333 3.992 20 0 EHADRM CC(C)(C)[C@H]1CCN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000322516127 970897325 /nfs/dbraw/zinc/89/73/25/970897325.db2.gz HWHDAIYDDQAGNZ-VIFPVBQESA-N -1 0 326.343 3.563 20 0 EHADRM COc1ccc(C(=O)[O-])cc1COc1c(F)c(F)cc(F)c1F ZINC000323062084 970963558 /nfs/dbraw/zinc/96/35/58/970963558.db2.gz LYGXQXBYTWWPMR-UHFFFAOYSA-N -1 0 330.233 3.529 20 0 EHADRM Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Cl)c(C(=O)[O-])c1 ZINC000323049169 970962301 /nfs/dbraw/zinc/96/23/01/970962301.db2.gz FPBUDDOZDPCNRH-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM O=C([O-])C1(NC(=O)CCc2ccccc2C(F)(F)F)CCCCC1 ZINC001601291350 970971496 /nfs/dbraw/zinc/97/14/96/970971496.db2.gz BAVNYMMCBWEYHB-UHFFFAOYSA-N -1 0 343.345 3.542 20 0 EHADRM O=C(Nc1ccc(-c2cccc(F)c2)c(F)c1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001601594463 971027465 /nfs/dbraw/zinc/02/74/65/971027465.db2.gz VEWORQWCHYNJDU-YEORSEQZSA-N -1 0 346.333 3.617 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3)c[nH]2)C1 ZINC001611407802 971033260 /nfs/dbraw/zinc/03/32/60/971033260.db2.gz XTWKGDRAKWYOEI-LBPRGKRZSA-N -1 0 346.814 3.662 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](c2nc(-c3cnc4ccsc4c3)no2)C1 ZINC000323912054 971055929 /nfs/dbraw/zinc/05/59/29/971055929.db2.gz KATZYALZAOYGLT-UWVGGRQHSA-N -1 0 329.381 3.705 20 0 EHADRM Cc1ccc(C)c(OCCC(=O)Nc2ccc(C)cc2C(=O)[O-])c1 ZINC000323923082 971059445 /nfs/dbraw/zinc/05/94/45/971059445.db2.gz WACHWJGYMVQNHD-UHFFFAOYSA-N -1 0 327.380 3.718 20 0 EHADRM CC[C@H](C)[C@H](C(=O)Nc1ccc(C(=O)[O-])c(O)c1)c1ccccc1 ZINC000323994595 971071305 /nfs/dbraw/zinc/07/13/05/971071305.db2.gz DDWGFDZPQINQBG-SJCJKPOMSA-N -1 0 327.380 3.859 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000324109893 971084814 /nfs/dbraw/zinc/08/48/14/971084814.db2.gz NIFIZKPVIQNZTG-XHDPSFHLSA-N -1 0 327.380 3.981 20 0 EHADRM C[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC000324144720 971088196 /nfs/dbraw/zinc/08/81/96/971088196.db2.gz WVOKNZRFVDABFO-NXEZZACHSA-N -1 0 326.343 3.753 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2CCCc3ccccc32)c(F)cc1F ZINC000324229022 971098810 /nfs/dbraw/zinc/09/88/10/971098810.db2.gz RKJXDLJJBMJTAV-GFCCVEGCSA-N -1 0 331.318 3.722 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000324372732 971113409 /nfs/dbraw/zinc/11/34/09/971113409.db2.gz LDZXUROWUYXCIZ-GUTXKFCHSA-N -1 0 333.428 3.609 20 0 EHADRM O=C([O-])CCc1cccc(NCC2(c3ccc4c(c3)OCO4)CC2)c1 ZINC001602044015 971129920 /nfs/dbraw/zinc/12/99/20/971129920.db2.gz FDEAOWVJDJKJLO-UHFFFAOYSA-N -1 0 339.391 3.576 20 0 EHADRM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000324547301 971131541 /nfs/dbraw/zinc/13/15/41/971131541.db2.gz LFTVCFBRPAXQAN-GFCCVEGCSA-N -1 0 339.382 3.909 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2cc(C(=O)[O-])ccc2F)o1 ZINC000324581214 971135053 /nfs/dbraw/zinc/13/50/53/971135053.db2.gz AULNOSAWPMRGMB-GXFFZTMASA-N -1 0 331.343 3.812 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)cc1O ZINC000324635625 971142317 /nfs/dbraw/zinc/14/23/17/971142317.db2.gz VSEMNUZVBXOLSF-UHFFFAOYSA-N -1 0 343.232 3.501 20 0 EHADRM Cc1sc(NC(=O)N(Cc2ccccn2)C2CC2)c(C(=O)[O-])c1C ZINC000325046115 971179335 /nfs/dbraw/zinc/17/93/35/971179335.db2.gz RFMMWAQYWJXZFW-UHFFFAOYSA-N -1 0 345.424 3.655 20 0 EHADRM Cc1[nH]c2ccccc2c1C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC000325179873 971191254 /nfs/dbraw/zinc/19/12/54/971191254.db2.gz CTTCMCACZWUOJA-UHFFFAOYSA-N -1 0 343.408 3.592 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC000325253554 971198129 /nfs/dbraw/zinc/19/81/29/971198129.db2.gz LNEZHKLNGGSTJC-BRWVUGGUSA-N -1 0 329.440 3.650 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(Cc1coc(-c3cccs3)n1)CC2 ZINC000325283232 971201748 /nfs/dbraw/zinc/20/17/48/971201748.db2.gz UQKARBOJSFSGHX-UHFFFAOYSA-N -1 0 340.404 3.660 20 0 EHADRM COc1ccc(C(=O)[O-])cc1CSc1ccc2c(c1)OCCCO2 ZINC000325404136 971212396 /nfs/dbraw/zinc/21/23/96/971212396.db2.gz HYYZPCWMBJABDT-UHFFFAOYSA-N -1 0 346.404 3.847 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)N3CCC[C@@H](C(C)(C)C(=O)[O-])C3)cc2C1 ZINC000325439496 971215824 /nfs/dbraw/zinc/21/58/24/971215824.db2.gz LGUZWTFMPZJKMZ-TZMCWYRMSA-N -1 0 349.496 3.836 20 0 EHADRM C[C@H]1CCc2sc(C(=O)N3CCC[C@@H](C(C)(C)C(=O)[O-])C3)cc2C1 ZINC000325439487 971216077 /nfs/dbraw/zinc/21/60/77/971216077.db2.gz LGUZWTFMPZJKMZ-GXTWGEPZSA-N -1 0 349.496 3.836 20 0 EHADRM Cc1cc(OCC(=O)Nc2cccc(CCC(=O)[O-])c2)ccc1Cl ZINC000325571954 971228482 /nfs/dbraw/zinc/22/84/82/971228482.db2.gz YZQBLWXIPXTWCW-UHFFFAOYSA-N -1 0 347.798 3.683 20 0 EHADRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)Nc1ccccc1C(F)(F)F ZINC000325644602 971233083 /nfs/dbraw/zinc/23/30/83/971233083.db2.gz YCOOIJRBINCUNY-PWSUYJOCSA-N -1 0 344.333 3.860 20 0 EHADRM CC(C)CCC[C@H](C)NC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000325770404 971241725 /nfs/dbraw/zinc/24/17/25/971241725.db2.gz UCJFDNUKPSACNG-WMLDXEAASA-N -1 0 332.444 3.595 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)Nc1ccccc1OC(F)(F)F ZINC000325808925 971245272 /nfs/dbraw/zinc/24/52/72/971245272.db2.gz OZUJPFKOMOUDOL-NSHDSACASA-N -1 0 348.321 3.596 20 0 EHADRM Cc1ccccc1N(CCC(=O)[O-])C(=O)[C@H]1CSc2ccccc21 ZINC000325820504 971246258 /nfs/dbraw/zinc/24/62/58/971246258.db2.gz MLAMJJOBGFFZOK-HNNXBMFYSA-N -1 0 341.432 3.692 20 0 EHADRM Cc1ccccc1N(CCC(=O)[O-])C(=O)[C@@H]1CSc2ccccc21 ZINC000325820507 971246564 /nfs/dbraw/zinc/24/65/64/971246564.db2.gz MLAMJJOBGFFZOK-OAHLLOKOSA-N -1 0 341.432 3.692 20 0 EHADRM O=C([O-])CC1CCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000325884710 971251656 /nfs/dbraw/zinc/25/16/56/971251656.db2.gz ONQJBQLEWYXKNQ-UHFFFAOYSA-N -1 0 348.296 3.563 20 0 EHADRM CC(C)Oc1ccc(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])cc1 ZINC000326609292 971309558 /nfs/dbraw/zinc/30/95/58/971309558.db2.gz MQOJTLJMXIMKTP-KRWDZBQOSA-N -1 0 333.428 3.627 20 0 EHADRM CCC1CCC(NC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)(C(=O)[O-])CC1 ZINC000326793321 971328076 /nfs/dbraw/zinc/32/80/76/971328076.db2.gz XUZKGQACWIAQNN-HPUUMLKRSA-N -1 0 347.455 3.875 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])CC(C)(C)C ZINC000326769860 971325759 /nfs/dbraw/zinc/32/57/59/971325759.db2.gz QSSAYQKZFQZGDO-GUYCJALGSA-N -1 0 344.455 3.742 20 0 EHADRM O=C([O-])c1ccc([N+](=O)[O-])c(OCc2ccccc2C(F)(F)F)c1 ZINC000326763225 971325924 /nfs/dbraw/zinc/32/59/24/971325924.db2.gz OQXDVTXRMQYJRN-UHFFFAOYSA-N -1 0 341.241 3.891 20 0 EHADRM COc1cc(NC(=O)N2CC=C(C(C)(C)C)CC2)ccc1C(=O)[O-] ZINC000326981705 971353520 /nfs/dbraw/zinc/35/35/20/971353520.db2.gz PWRZKGKBWVTBIE-UHFFFAOYSA-N -1 0 332.400 3.604 20 0 EHADRM CC(C)Oc1ccc(NC(=O)NCCc2ccccc2C(=O)[O-])cc1 ZINC000327051428 971360747 /nfs/dbraw/zinc/36/07/47/971360747.db2.gz INIIMUOWQHPCGZ-UHFFFAOYSA-N -1 0 342.395 3.536 20 0 EHADRM CC(C)OCc1ccc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000327069694 971363768 /nfs/dbraw/zinc/36/37/68/971363768.db2.gz QKCUBTKHDLTYFQ-QGZVFWFLSA-N -1 0 347.455 3.575 20 0 EHADRM Cc1ccccc1OCCC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000327215482 971377339 /nfs/dbraw/zinc/37/73/39/971377339.db2.gz OVHNPYVMHYSHIP-UHFFFAOYSA-N -1 0 341.407 3.765 20 0 EHADRM CCc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(C(=O)[O-])c1 ZINC000327683945 971418558 /nfs/dbraw/zinc/41/85/58/971418558.db2.gz FSAJIWOMLPHLAF-UXBLZVDNSA-N -1 0 340.335 3.507 20 0 EHADRM CCCCc1ccc(C(=O)N2C[C@H](C(=O)[O-])Cc3ccccc32)cc1 ZINC000327773632 971424678 /nfs/dbraw/zinc/42/46/78/971424678.db2.gz USRCTXUUAIOSGQ-GOSISDBHSA-N -1 0 337.419 3.933 20 0 EHADRM Cc1ccc(OCCC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])cc1C ZINC000327850945 971428465 /nfs/dbraw/zinc/42/84/65/971428465.db2.gz UJMKXACXZJTPOP-SFHVURJKSA-N -1 0 347.455 3.612 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(c1ccc(C(F)F)cc1[N+](=O)[O-])CC2 ZINC000327915103 971434606 /nfs/dbraw/zinc/43/46/06/971434606.db2.gz KTZMFSKPWRJVGA-UHFFFAOYSA-N -1 0 348.305 3.793 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)[C@@H]1CCc2ccccc2C1)c1ccccc1 ZINC000328034420 971442942 /nfs/dbraw/zinc/44/29/42/971442942.db2.gz LLHLGCTXNOSLQC-MOPGFXCFSA-N -1 0 337.419 3.514 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)COc1c(Cl)cccc1Cl ZINC000013165978 948777583 /nfs/dbraw/zinc/77/75/83/948777583.db2.gz CIHQWPBVZYRGLN-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM CC[C@H](CNc1nnc(-c2ccccc2)cc1C(F)(F)F)C(=O)[O-] ZINC001589555337 948787377 /nfs/dbraw/zinc/78/73/77/948787377.db2.gz QWJLZJYUDRFVDJ-SNVBAGLBSA-N -1 0 339.317 3.685 20 0 EHADRM C[C@@H](NC(=O)CCC(=O)[O-])c1ccc(Oc2ccccc2)c(F)c1 ZINC000338191241 971516786 /nfs/dbraw/zinc/51/67/86/971516786.db2.gz MSNFVKAGNMDFGR-GFCCVEGCSA-N -1 0 331.343 3.660 20 0 EHADRM CCCC[C@H](NC(=O)CCCC(=O)c1c(C)cc(C)cc1C)C(=O)[O-] ZINC000347264297 971522625 /nfs/dbraw/zinc/52/26/25/971522625.db2.gz SSUAVHSXTMMZHO-INIZCTEOSA-N -1 0 347.455 3.724 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2[nH]c3ccc(F)cc3c2Cl)cc1 ZINC000347732296 971526676 /nfs/dbraw/zinc/52/66/76/971526676.db2.gz JTNXJDIBMGEACQ-UHFFFAOYSA-N -1 0 346.745 3.840 20 0 EHADRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)c1cc2ccccc2[nH]1 ZINC000347994912 971527751 /nfs/dbraw/zinc/52/77/51/971527751.db2.gz JZVAUGJTVICKBE-UHFFFAOYSA-N -1 0 342.782 3.548 20 0 EHADRM O=C([O-])c1coc(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000352389943 971528995 /nfs/dbraw/zinc/52/89/95/971528995.db2.gz AKLVRCMGDQXWHH-MRXNPFEDSA-N -1 0 331.343 3.778 20 0 EHADRM CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000358611935 971532275 /nfs/dbraw/zinc/53/22/75/971532275.db2.gz UARLFVQBXNTVIZ-UHFFFAOYSA-N -1 0 339.725 3.589 20 0 EHADRM CC[C@@](C)(NC(=O)c1ccc(-c2nc3ccccc3s2)o1)C(=O)[O-] ZINC000362340003 971534881 /nfs/dbraw/zinc/53/48/81/971534881.db2.gz PFFXSXXNMXDLCO-QGZVFWFLSA-N -1 0 344.392 3.539 20 0 EHADRM CCOc1cccc(NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])c1 ZINC000362492215 971535277 /nfs/dbraw/zinc/53/52/77/971535277.db2.gz JRBSXWGELDZQJV-GFCCVEGCSA-N -1 0 345.420 3.903 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C[C@@H]2CCCc3ccccc32)C1 ZINC001589591864 949097595 /nfs/dbraw/zinc/09/75/95/949097595.db2.gz SXWDVXNBEXVMGN-OXJNMPFZSA-N -1 0 329.440 3.600 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)NCc2cc3cc(C)ccc3o2)C1 ZINC001589595485 949141146 /nfs/dbraw/zinc/14/11/46/949141146.db2.gz ZARCDVJVDNINAQ-IBGZPJMESA-N -1 0 344.411 3.528 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2c[nH]cc2-c2ccccc2F)C1 ZINC001589597811 949176086 /nfs/dbraw/zinc/17/60/86/949176086.db2.gz HPYPPVVJTAAIFG-IBGZPJMESA-N -1 0 344.386 3.538 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)NCc2ccc3ccccc3c2)cc1 ZINC000116537514 949235770 /nfs/dbraw/zinc/23/57/70/949235770.db2.gz CBVUGTPEVVEFNU-UHFFFAOYSA-N -1 0 334.375 3.537 20 0 EHADRM O=C([O-])c1ccc(CN2CCN(C3CC3)c3ccc(F)cc32)s1 ZINC001595227383 949313315 /nfs/dbraw/zinc/31/33/15/949313315.db2.gz ALQIJAIELAZQKU-UHFFFAOYSA-N -1 0 332.400 3.574 20 0 EHADRM CC[C@@H]1CCc2c(sc(NC(=O)c3nocc3C)c2C(=O)[O-])C1 ZINC001589624500 949458326 /nfs/dbraw/zinc/45/83/26/949458326.db2.gz IGSTTZQUFWTEOW-SECBINFHSA-N -1 0 334.397 3.510 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2nc3ccccc3cc2C2CC2)c1 ZINC001595244500 949500471 /nfs/dbraw/zinc/50/04/71/949500471.db2.gz QTIGBVZGVGILDE-UHFFFAOYSA-N -1 0 346.386 3.740 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2ccnc(OCc3ccccc3)c2)c1 ZINC000190875766 949501304 /nfs/dbraw/zinc/50/13/04/949501304.db2.gz MXCMDIQUNLMXPK-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000193077176 949517049 /nfs/dbraw/zinc/51/70/49/949517049.db2.gz ZZVLHOHZMVHQGF-KKSFZXQISA-N -1 0 339.435 3.647 20 0 EHADRM O=C([O-])c1cccc(NC(=O)C2(c3c(F)cccc3F)CCC2)c1 ZINC001595248811 949530139 /nfs/dbraw/zinc/53/01/39/949530139.db2.gz KIMCHWOHQRMSIL-UHFFFAOYSA-N -1 0 331.318 3.723 20 0 EHADRM CCC[C@@H](Cc1ccccc1)NC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C ZINC001589631887 949554921 /nfs/dbraw/zinc/55/49/21/949554921.db2.gz AAHUTPLRUTYLHT-HNNXBMFYSA-N -1 0 331.456 3.651 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N1CCC(OCC2CCCC2)CC1 ZINC001595256057 949614464 /nfs/dbraw/zinc/61/44/64/949614464.db2.gz OQMSECCDRNZFSI-UHFFFAOYSA-N -1 0 346.427 3.588 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)c1cc(Cl)cc2cccnc21 ZINC001595256128 949617719 /nfs/dbraw/zinc/61/77/19/949617719.db2.gz OJVYVRABZZURQN-UHFFFAOYSA-N -1 0 340.766 3.516 20 0 EHADRM CCCCC[C@H](NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)C(C)(C)C ZINC001589641859 949699570 /nfs/dbraw/zinc/69/95/70/949699570.db2.gz CVAHYUKCGREXRP-ILXRZTDVSA-N -1 0 326.481 3.734 20 0 EHADRM CCCCOc1ccccc1NC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC001589654364 949804463 /nfs/dbraw/zinc/80/44/63/949804463.db2.gz DJSIBXMSLQPJDX-ZIAGYGMSSA-N -1 0 334.416 3.583 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000235512194 949870011 /nfs/dbraw/zinc/87/00/11/949870011.db2.gz KBJRZSAOVVXGOY-INTQDDNPSA-N -1 0 330.211 3.672 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN1Cc1cc(Br)ccc1Cl ZINC000235718580 949877718 /nfs/dbraw/zinc/87/77/18/949877718.db2.gz BLNFCTSPTSSWPP-CYBMUJFWSA-N -1 0 332.625 3.542 20 0 EHADRM Cc1cc2occ(CC(=O)N(C)C[C@@H](C)C(=O)[O-])c2cc1C(C)C ZINC000236622411 949928728 /nfs/dbraw/zinc/92/87/28/949928728.db2.gz SUIDLWVSLAGIFZ-CYBMUJFWSA-N -1 0 331.412 3.586 20 0 EHADRM O=C([O-])CCCCC(=O)NCc1ccc(OCc2ccccc2)cc1 ZINC000261577480 950045735 /nfs/dbraw/zinc/04/57/35/950045735.db2.gz OKFVSKAFKQBPGZ-UHFFFAOYSA-N -1 0 341.407 3.527 20 0 EHADRM CCCOc1ccc(NC(=O)NCc2ccccc2C(=O)[O-])cc1F ZINC001589681050 950049188 /nfs/dbraw/zinc/04/91/88/950049188.db2.gz FRJOCWVKBHBCPN-UHFFFAOYSA-N -1 0 346.358 3.634 20 0 EHADRM CCCc1ccc(CCCC(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])cc1 ZINC001589691227 950112788 /nfs/dbraw/zinc/11/27/88/950112788.db2.gz DMMXXKWBOYKQAQ-BEFAXECRSA-N -1 0 331.456 3.674 20 0 EHADRM C[C@H]1CN(C(=O)C2(Sc3ccccc3)CCCC2)CC[C@@H]1C(=O)[O-] ZINC000262872847 950178388 /nfs/dbraw/zinc/17/83/88/950178388.db2.gz GEIQVNCKFLWXJR-HOCLYGCPSA-N -1 0 347.480 3.661 20 0 EHADRM CCCc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc1 ZINC000262925875 950190249 /nfs/dbraw/zinc/19/02/49/950190249.db2.gz OLRLZYDVWAMOFE-RBUKOAKNSA-N -1 0 337.419 3.580 20 0 EHADRM CC(C)c1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)c2ccccc2n1 ZINC000262952011 950198125 /nfs/dbraw/zinc/19/81/25/950198125.db2.gz LIFPHMUXUOODJI-KGLIPLIRSA-N -1 0 340.423 3.541 20 0 EHADRM CCN(C(=O)C[C@H](Cc1ccccc1)c1ccccc1)[C@H](C)C(=O)[O-] ZINC001589698722 950207173 /nfs/dbraw/zinc/20/71/73/950207173.db2.gz FNRVUQCSUAVGSA-APWZRJJASA-N -1 0 339.435 3.725 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263094460 950259778 /nfs/dbraw/zinc/25/97/78/950259778.db2.gz AOMLQTGUSZJLIX-MWLCHTKSSA-N -1 0 335.787 3.577 20 0 EHADRM CCN(C(=O)Nc1ccc2nc(C3CC3)sc2c1)[C@@H](C)C(=O)[O-] ZINC001589707274 950305378 /nfs/dbraw/zinc/30/53/78/950305378.db2.gz QSSBPQUYVVVUET-VIFPVBQESA-N -1 0 333.413 3.501 20 0 EHADRM Cc1c(C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)oc2c1c(C)ccc2C ZINC000263345141 950386647 /nfs/dbraw/zinc/38/66/47/950386647.db2.gz OIOXYXMUSOBMOO-QMTHXVAHSA-N -1 0 329.396 3.541 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263369746 950410868 /nfs/dbraw/zinc/41/08/68/950410868.db2.gz VADRRTLTFAHOFI-ONGXEEELSA-N -1 0 335.400 3.532 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccccc2Nc2ccccc2)C1 ZINC000263393611 950434656 /nfs/dbraw/zinc/43/46/56/950434656.db2.gz ZCMWBXZDQCDXNG-LSDHHAIUSA-N -1 0 338.407 3.613 20 0 EHADRM CC(C)[C@H]1N(C(=O)NC2CCC(C(=O)[O-])CC2)CC12CCCCC2 ZINC000263453665 950471949 /nfs/dbraw/zinc/47/19/49/950471949.db2.gz GVKAVZKCDHURSX-UYSNPLJNSA-N -1 0 336.476 3.630 20 0 EHADRM CC(=O)c1cc(Br)ccc1OCc1ccoc1C(=O)[O-] ZINC000380391355 971694505 /nfs/dbraw/zinc/69/45/05/971694505.db2.gz YZHDLKCKGAMSDM-UHFFFAOYSA-N -1 0 339.141 3.522 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)Oc2ccc(OC3CCC3)cc2)co1 ZINC001594971186 950854887 /nfs/dbraw/zinc/85/48/87/950854887.db2.gz OPQLVNPVDBJMJP-HJWRWDBZSA-N -1 0 328.320 3.528 20 0 EHADRM O=C([O-])CC1(C(=O)N[C@@H]2CC=C(c3ccc(F)cc3)CC2)CCC1 ZINC001594972968 950877859 /nfs/dbraw/zinc/87/78/59/950877859.db2.gz DTRKZDRJXUDQDC-MRXNPFEDSA-N -1 0 331.387 3.523 20 0 EHADRM C[C@H](c1ccccc1)n1c(SCC(=O)[O-])nnc1-c1ccccc1 ZINC000323850539 951053655 /nfs/dbraw/zinc/05/36/55/951053655.db2.gz MLCZQVRSVBRKKT-CYBMUJFWSA-N -1 0 339.420 3.731 20 0 EHADRM CC(C)C[C@H](CNC(=O)NCC1CCC(C)(C)CC1)CC(=O)[O-] ZINC000324297379 951064158 /nfs/dbraw/zinc/06/41/58/951064158.db2.gz KCQTUPZDFNVOEQ-HNNXBMFYSA-N -1 0 326.481 3.639 20 0 EHADRM CSc1ccc(NC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1 ZINC000325731219 951091065 /nfs/dbraw/zinc/09/10/65/951091065.db2.gz VWFDNGNATHZYRS-MRXNPFEDSA-N -1 0 342.420 3.624 20 0 EHADRM O=C([O-])CCC(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC001594997585 951095414 /nfs/dbraw/zinc/09/54/14/951095414.db2.gz WWLYBTYNLQJMSA-UHFFFAOYSA-N -1 0 344.314 3.632 20 0 EHADRM CC[C@H](NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)C1CCCCC1 ZINC000327486074 951116094 /nfs/dbraw/zinc/11/60/94/951116094.db2.gz INQQRJPEBDTJCL-ROUUACIJSA-N -1 0 344.455 3.739 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)C1CC1 ZINC000362462267 951136158 /nfs/dbraw/zinc/13/61/58/951136158.db2.gz AXOKVODYLWCZQQ-WZYXQFPFSA-N -1 0 342.222 3.561 20 0 EHADRM O=C([O-])CC[C@H]1Cc2ccccc2N(C(=O)c2cc3ccccn3c2)C1 ZINC001595024762 951332797 /nfs/dbraw/zinc/33/27/97/951332797.db2.gz LRYTVLMMPBUVME-HNNXBMFYSA-N -1 0 348.402 3.623 20 0 EHADRM O=C([O-])CC[C@H]1Cc2ccccc2N(CC(=O)c2ccccc2F)C1 ZINC001595024722 951333406 /nfs/dbraw/zinc/33/34/06/951333406.db2.gz KCMNVAQIRPTDGH-AWEZNQCLSA-N -1 0 341.382 3.552 20 0 EHADRM CCOc1ccccc1[C@@H](CC)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001593042864 951387734 /nfs/dbraw/zinc/38/77/34/951387734.db2.gz KNGGATASZZEVHO-MRXNPFEDSA-N -1 0 327.380 3.665 20 0 EHADRM Cc1ccc(NC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1C(F)(F)F ZINC000397078829 951517066 /nfs/dbraw/zinc/51/70/66/951517066.db2.gz GNGWRVYKHRSTSF-QWRGUYRKSA-N -1 0 344.333 3.731 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)c1 ZINC001595066536 951553761 /nfs/dbraw/zinc/55/37/61/951553761.db2.gz LXNIRJZNUQZTIO-IAGOWNOFSA-N -1 0 342.370 3.521 20 0 EHADRM O=C([O-])CNC(=O)Nc1ccc(Sc2ccccc2Cl)cc1 ZINC001595102049 951855483 /nfs/dbraw/zinc/85/54/83/951855483.db2.gz IQEMYUUBWOMUNI-UHFFFAOYSA-N -1 0 336.800 3.697 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N2CCc3ccc(Cl)cc3C2)c1 ZINC001595132272 952041752 /nfs/dbraw/zinc/04/17/52/952041752.db2.gz QPNHEMUZWQRFDW-UHFFFAOYSA-N -1 0 344.798 3.557 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)NC[C@@H](c1ccccc1)C1CC1 ZINC001595135907 952051201 /nfs/dbraw/zinc/05/12/01/952051201.db2.gz GXAFUACSLXIEKZ-KRWDZBQOSA-N -1 0 338.407 3.629 20 0 EHADRM O=C([O-])c1cc(C(=O)Nc2cccc(OCc3ccccc3)c2)ccn1 ZINC000382284636 971806600 /nfs/dbraw/zinc/80/66/00/971806600.db2.gz HNOIWOWGBOGECZ-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2CCC[C@@H]2c2ccccc2)ccc1O ZINC001595208248 952347777 /nfs/dbraw/zinc/34/77/77/952347777.db2.gz ULGGQOQIHVXODM-CABCVRRESA-N -1 0 325.364 3.613 20 0 EHADRM COc1cc(NC(=O)N(C)[C@@H](C)c2ccccc2)ccc1C(=O)[O-] ZINC000383609347 971879972 /nfs/dbraw/zinc/87/99/72/971879972.db2.gz ABVCWZVPHCDDLY-LBPRGKRZSA-N -1 0 328.368 3.618 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC001602934082 971902167 /nfs/dbraw/zinc/90/21/67/971902167.db2.gz XGHOSTUVRBCDQI-WCQYABFASA-N -1 0 341.810 3.732 20 0 EHADRM CCSCc1cccc(NC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC001593597350 953381178 /nfs/dbraw/zinc/38/11/78/953381178.db2.gz KJNBRVYEWQVVKD-JSGCOSHPSA-N -1 0 336.457 3.657 20 0 EHADRM O=C([O-])C1(CNC(=O)NCC2CCC(c3ccccc3)CC2)CCC1 ZINC001594747777 953396602 /nfs/dbraw/zinc/39/66/02/953396602.db2.gz CRKJQCLNBFFUTB-UHFFFAOYSA-N -1 0 344.455 3.515 20 0 EHADRM CCS[C@H]1CCC[C@H](NC(=O)C2(C(=O)[O-])CCCCCC2)C1 ZINC001593599413 953401465 /nfs/dbraw/zinc/40/14/65/953401465.db2.gz ZNWXMXZBIQVDPR-KBPBESRZSA-N -1 0 327.490 3.592 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)/C=C\c2ccc(F)c3ccccc23)C1 ZINC001589269585 953405229 /nfs/dbraw/zinc/40/52/29/953405229.db2.gz WYZQBXYXGMIXRX-VVDJSUPNSA-N -1 0 341.382 3.561 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc(COC(C)(C)C)cc2)C1 ZINC001589271609 953411478 /nfs/dbraw/zinc/41/14/78/953411478.db2.gz JEGAIFMENGJGAO-DZGCQCFKSA-N -1 0 348.443 3.576 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1cccc(F)c1C(C)(F)F)C(=O)[O-] ZINC001593609853 953459037 /nfs/dbraw/zinc/45/90/37/953459037.db2.gz NWXJMAJJYVPLDZ-UFBFGSQYSA-N -1 0 332.322 3.558 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1ccc(-c2ccco2)cc1F)C(=O)[O-] ZINC001593609882 953459561 /nfs/dbraw/zinc/45/95/61/953459561.db2.gz MTJAJHQONDWCHV-BONVTDFDSA-N -1 0 334.347 3.707 20 0 EHADRM CCC(CC)(CNC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1)C(=O)[O-] ZINC000424432860 953487297 /nfs/dbraw/zinc/48/72/97/953487297.db2.gz QXOZDYMUYXJNFX-KGLIPLIRSA-N -1 0 336.432 3.653 20 0 EHADRM CCC(CC)(CNC(=O)N[C@H](C)c1ccccc1SC)C(=O)[O-] ZINC000424445861 953489007 /nfs/dbraw/zinc/48/90/07/953489007.db2.gz FIYQKFHTILUSMF-GFCCVEGCSA-N -1 0 338.473 3.660 20 0 EHADRM CC[C@H](C)Oc1cc(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)ccn1 ZINC000431651593 953502945 /nfs/dbraw/zinc/50/29/45/953502945.db2.gz LNKOCIYKSKWTOS-LBPRGKRZSA-N -1 0 328.368 3.518 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)N1CCC[C@H](CC(=O)[O-])C1)C(C)C ZINC000519529227 953549511 /nfs/dbraw/zinc/54/95/11/953549511.db2.gz RATAIZXWTBYNPV-CRAIPNDOSA-N -1 0 332.444 3.588 20 0 EHADRM O=C([O-])CC1(C(=O)N2CCc3c(Cl)c(Cl)ccc3C2)CCC1 ZINC000522060489 953556162 /nfs/dbraw/zinc/55/61/62/953556162.db2.gz LQYIKWUIOLEJMM-UHFFFAOYSA-N -1 0 342.222 3.523 20 0 EHADRM CCc1c(C(=O)Nc2ccc(C(=O)[O-])cc2F)cnn1C1CCCC1 ZINC001593627457 953564342 /nfs/dbraw/zinc/56/43/42/953564342.db2.gz NYQPPAPJCYEYIN-UHFFFAOYSA-N -1 0 345.374 3.650 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)c1cc2c(s1)CCCCC2 ZINC001594771932 953567302 /nfs/dbraw/zinc/56/73/02/953567302.db2.gz IKICGHKFEIDTDC-UHFFFAOYSA-N -1 0 329.421 3.645 20 0 EHADRM CCCN(Cc1ccc(C)cc1)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000540665065 953574477 /nfs/dbraw/zinc/57/44/77/953574477.db2.gz LAGBCEAFOSRFEJ-UHFFFAOYSA-N -1 0 341.407 3.511 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)c1ccc(Oc2ccccc2)nc1 ZINC001594776754 953589222 /nfs/dbraw/zinc/58/92/22/953589222.db2.gz SUYOAZVZKDQCDM-UHFFFAOYSA-N -1 0 348.358 3.502 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccccc2Nc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000563144945 953596563 /nfs/dbraw/zinc/59/65/63/953596563.db2.gz YUQNHHOBDJFCJQ-YOEHRIQHSA-N -1 0 338.407 3.613 20 0 EHADRM CCc1ccc(C2=CCN(C(=O)[C@@H](C(=O)[O-])C(C)(C)C)CC2)cc1 ZINC001593636269 953610074 /nfs/dbraw/zinc/61/00/74/953610074.db2.gz BESNTVOQBPGPHB-KRWDZBQOSA-N -1 0 329.440 3.612 20 0 EHADRM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NCC2(C(=O)[O-])CCC2)o1 ZINC001593637343 953617908 /nfs/dbraw/zinc/61/79/08/953617908.db2.gz SXFLHRNHNAWEES-ZFWWWQNUSA-N -1 0 348.443 3.580 20 0 EHADRM CCc1ccc([C@@H]2CCCN(C(=O)[C@H](C(=O)[O-])C(C)(C)C)C2)cc1 ZINC001593637396 953618118 /nfs/dbraw/zinc/61/81/18/953618118.db2.gz VUVDISUKIZXLMH-IAGOWNOFSA-N -1 0 331.456 3.702 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C[C@H](c2ccccc2)C1 ZINC001589293705 953624339 /nfs/dbraw/zinc/62/43/39/953624339.db2.gz QUEBNLSVTMQGEN-IREHDKGXSA-N -1 0 344.455 3.511 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000570632551 953658523 /nfs/dbraw/zinc/65/85/23/953658523.db2.gz RPNKPLQJRMGBEU-RBUKOAKNSA-N -1 0 337.419 3.518 20 0 EHADRM CC[C@H](NC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)c1ccc(Cl)s1 ZINC000571759558 953663364 /nfs/dbraw/zinc/66/33/64/953663364.db2.gz XHNHIESVQVSJEN-VWYCJHECSA-N -1 0 344.864 3.605 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1ccccc1C(C)(F)F ZINC001589302828 953702513 /nfs/dbraw/zinc/70/25/13/953702513.db2.gz BHWLVNWVOKUDST-MNOVXSKESA-N -1 0 326.343 3.515 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)NC(C2CCCC2)C2CCCC2)c1 ZINC001594802239 953749609 /nfs/dbraw/zinc/74/96/09/953749609.db2.gz PYLBGCLVRITBNK-UHFFFAOYSA-N -1 0 331.416 3.650 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594461581 953763678 /nfs/dbraw/zinc/76/36/78/953763678.db2.gz IDPBZQKXACNJRY-LUYZLQTOSA-N -1 0 349.496 3.560 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001589310047 953780763 /nfs/dbraw/zinc/78/07/63/953780763.db2.gz CASRSMNFDDHDAX-QGPMSJSTSA-N -1 0 347.455 3.588 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F)C1CCC1 ZINC000384844850 971961092 /nfs/dbraw/zinc/96/10/92/971961092.db2.gz JSYTTYNPYIOQIV-UHFFFAOYSA-N -1 0 326.343 3.611 20 0 EHADRM CC(C)[C@@H]1C[C@H](NC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c2ccccc21 ZINC000626777236 953820204 /nfs/dbraw/zinc/82/02/04/953820204.db2.gz LRIMUQUGOZHDDV-DACLVMHWSA-N -1 0 344.455 3.623 20 0 EHADRM CC[C@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)c1cc(C)ccc1C ZINC000626778552 953821207 /nfs/dbraw/zinc/82/12/07/953821207.db2.gz QKAGKEUMJVIKQR-ZOBUZTSGSA-N -1 0 332.444 3.507 20 0 EHADRM CCCc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)s1 ZINC000630173705 953845238 /nfs/dbraw/zinc/84/52/38/953845238.db2.gz SHLFCNOHADCPIC-JKSUJKDBSA-N -1 0 343.448 3.641 20 0 EHADRM CC(C)c1nc2cc(NC(=O)N3CC[C@@H](C(=O)[O-])[C@H](C)C3)ccc2o1 ZINC000630560181 953857867 /nfs/dbraw/zinc/85/78/67/953857867.db2.gz AEWIITMMHWNVLL-DGCLKSJQSA-N -1 0 345.399 3.526 20 0 EHADRM Cc1c(NC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cccc1C(F)(F)F ZINC000630563429 953860765 /nfs/dbraw/zinc/86/07/65/953860765.db2.gz KHVKXFUMBCBGRZ-KOLCDFICSA-N -1 0 344.333 3.588 20 0 EHADRM Cc1cc(NC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)ccc1C(F)(F)F ZINC000630562317 953861987 /nfs/dbraw/zinc/86/19/87/953861987.db2.gz POTFLWNIEQUSPA-JQWIXIFHSA-N -1 0 344.333 3.588 20 0 EHADRM CCc1cc(C)cc(CC)c1NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000630569426 953866579 /nfs/dbraw/zinc/86/65/79/953866579.db2.gz XQINILSCPOUELU-XJKSGUPXSA-N -1 0 332.444 3.694 20 0 EHADRM C[C@@H]1CCCN(C(=O)CCSc2cccc(Cl)c2)[C@H]1C(=O)[O-] ZINC001589325792 953906896 /nfs/dbraw/zinc/90/68/96/953906896.db2.gz KOKDYQQNUVYYPO-IAQYHMDHSA-N -1 0 341.860 3.534 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)N1CCC(C)(C(=O)[O-])CC1)c1ccccc1 ZINC000646143221 953923224 /nfs/dbraw/zinc/92/32/24/953923224.db2.gz TYTXTXBFZCFBNG-HNNXBMFYSA-N -1 0 332.444 3.670 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000646144086 953924924 /nfs/dbraw/zinc/92/49/24/953924924.db2.gz UMCLPFRXKWONSI-PVAVHDDUSA-N -1 0 348.418 3.610 20 0 EHADRM C[C@H](NC(=O)N1CCC(C)(C(=O)[O-])CC1)c1cccc(C2CC2)c1 ZINC000646159847 953939401 /nfs/dbraw/zinc/93/94/01/953939401.db2.gz WEAWHDVMRAMADO-ZDUSSCGKSA-N -1 0 330.428 3.521 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)Nc2ncc(C3CCCCC3)s2)C1 ZINC000647699084 953968530 /nfs/dbraw/zinc/96/85/30/953968530.db2.gz UQMIIFOPNBLXJQ-NEPJUHHUSA-N -1 0 337.445 3.566 20 0 EHADRM CSc1ccc(CCCC(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000647743544 953972350 /nfs/dbraw/zinc/97/23/50/953972350.db2.gz MGAXNLPREIUTJL-OAHLLOKOSA-N -1 0 337.485 3.594 20 0 EHADRM CN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC001593682960 953973511 /nfs/dbraw/zinc/97/35/11/953973511.db2.gz PUWSZQFVYISCLG-XWTMOSNGSA-N -1 0 329.440 3.672 20 0 EHADRM Cc1sc(NC(=O)C2(CC(=O)[O-])CCC2)nc1-c1ccccc1 ZINC000649456784 953995032 /nfs/dbraw/zinc/99/50/32/953995032.db2.gz ARBZJBPLKLCSDW-UHFFFAOYSA-N -1 0 330.409 3.702 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1ccc2ccnc(Cl)c2c1)C1CCCC1 ZINC001594838044 954044833 /nfs/dbraw/zinc/04/48/33/954044833.db2.gz SDJUBJOAYJDTPS-CQSZACIVSA-N -1 0 332.787 3.718 20 0 EHADRM Cc1nc(-c2ccco2)ccc1C(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC000652088416 954046552 /nfs/dbraw/zinc/04/65/52/954046552.db2.gz OLMRKFWWRJVYTF-AWEZNQCLSA-N -1 0 344.411 3.517 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)CCc2cccc(Cl)c2)c2ccccc21 ZINC000653333296 954164199 /nfs/dbraw/zinc/16/41/99/954164199.db2.gz NNKZEUBRWMJJQY-IRXDYDNUSA-N -1 0 343.810 3.702 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)C2(c3ccccc3)CCC2)c2ccccc21 ZINC000653335852 954168293 /nfs/dbraw/zinc/16/82/93/954168293.db2.gz XWTUIXZAQFMVNL-ROUUACIJSA-N -1 0 335.403 3.538 20 0 EHADRM Cc1cc(NC(=O)NC[C@H](C(=O)[O-])C(C)C)ccc1-c1ccncc1 ZINC000653545706 954192712 /nfs/dbraw/zinc/19/27/12/954192712.db2.gz KAFHVVDQTFLKEY-KRWDZBQOSA-N -1 0 341.411 3.535 20 0 EHADRM O=C([O-])C1CCC(NC(=O)CCc2c(Cl)cccc2Cl)CC1 ZINC000655535682 954197000 /nfs/dbraw/zinc/19/70/00/954197000.db2.gz ABBSNPOYABTRLU-UHFFFAOYSA-N -1 0 344.238 3.686 20 0 EHADRM Cc1ccc(Cc2ccccn2)cc1NC(=O)CCCCC(=O)[O-] ZINC000655545074 954198690 /nfs/dbraw/zinc/19/86/90/954198690.db2.gz YKCXSAQGWINLDD-UHFFFAOYSA-N -1 0 326.396 3.564 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(F)F)cc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655575085 954213103 /nfs/dbraw/zinc/21/31/03/954213103.db2.gz YSQNPERHKRKXTA-JFUSQASVSA-N -1 0 343.345 3.629 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2cc(C3CCCCCC3)[nH]n2)CC=CCC1 ZINC001594869394 954336593 /nfs/dbraw/zinc/33/65/93/954336593.db2.gz RRPVESZTRVQDHX-GOSISDBHSA-N -1 0 331.416 3.597 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1c1nc2cccc(OC(F)F)c2s1 ZINC000662892972 954400023 /nfs/dbraw/zinc/40/00/23/954400023.db2.gz HKUZLUQSQBZTES-BDAKNGLRSA-N -1 0 342.367 3.587 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc(OC(F)F)c2)CCCCCC1 ZINC000663032245 954405423 /nfs/dbraw/zinc/40/54/23/954405423.db2.gz NKHJDCJDSMUAKY-UHFFFAOYSA-N -1 0 327.327 3.652 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc2)oc1C ZINC000663065570 954438253 /nfs/dbraw/zinc/43/82/53/954438253.db2.gz ABZHJKJWFVBJKU-AWEZNQCLSA-N -1 0 330.384 3.644 20 0 EHADRM CCOCCC1(CNC(=O)C2(C(=O)[O-])CCCCCC2)CCCC1 ZINC000663073590 954448821 /nfs/dbraw/zinc/44/88/21/954448821.db2.gz VSOVFLWIIGOSLN-UHFFFAOYSA-N -1 0 339.476 3.515 20 0 EHADRM CC(=O)Nc1c(C)ccc(NC(=O)C2(C(=O)[O-])CCCCCC2)c1C ZINC000663079710 954457030 /nfs/dbraw/zinc/45/70/30/954457030.db2.gz NGOXLTJXYPUQJL-UHFFFAOYSA-N -1 0 346.427 3.626 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000668323936 954568016 /nfs/dbraw/zinc/56/80/16/954568016.db2.gz HRCYAQKMCHOAML-BETUJISGSA-N -1 0 329.318 3.578 20 0 EHADRM Cc1[nH]c2ccccc2c1CC(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000669434763 954569697 /nfs/dbraw/zinc/56/96/97/954569697.db2.gz XTOQEQLDNWSWLW-MRXNPFEDSA-N -1 0 348.402 3.624 20 0 EHADRM O=C([O-])CCCCNC(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000669506236 954578294 /nfs/dbraw/zinc/57/82/94/954578294.db2.gz XJWFNUGNPVTDEO-UHFFFAOYSA-N -1 0 343.355 3.610 20 0 EHADRM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000679396545 954594148 /nfs/dbraw/zinc/59/41/48/954594148.db2.gz LWXSKFXTWLVUDW-HOCLYGCPSA-N -1 0 347.455 3.607 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)c2ccc(-n3cccc3)cc2)c2ccccc21 ZINC001594927837 954821301 /nfs/dbraw/zinc/82/13/01/954821301.db2.gz MEUCIEHLQACQJA-SFHVURJKSA-N -1 0 346.386 3.696 20 0 EHADRM CC(C)C[C@@H](C)OCCC(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC001603002455 972045721 /nfs/dbraw/zinc/04/57/21/972045721.db2.gz RWOFRMRIWQHLSM-CQSZACIVSA-N -1 0 333.428 3.505 20 0 EHADRM CC[C@H](C)[C@@H]1CCCCN1C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001589457055 954836798 /nfs/dbraw/zinc/83/67/98/954836798.db2.gz CTWRFXNAGXOULI-RIFZZMRRSA-N -1 0 346.471 3.639 20 0 EHADRM CC[C@H](C)[C@H](OC)C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001589457893 954847534 /nfs/dbraw/zinc/84/75/34/954847534.db2.gz UIZQHQLITAIQSD-BFVZDQMLSA-N -1 0 339.457 3.571 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC001589471140 954926318 /nfs/dbraw/zinc/92/63/18/954926318.db2.gz CJNJHUMIGABJCL-OAHLLOKOSA-N -1 0 343.427 3.508 20 0 EHADRM Cc1cc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)sc1C(=O)[O-] ZINC000386565547 972065193 /nfs/dbraw/zinc/06/51/93/972065193.db2.gz OUJQWAYSMJLEAU-VIFPVBQESA-N -1 0 339.800 3.814 20 0 EHADRM CC[C@@H](CCc1ccccc1)NC(=O)N1CCC[C@@](CC)(C(=O)[O-])C1 ZINC001589515422 955066456 /nfs/dbraw/zinc/06/64/56/955066456.db2.gz ZXAHKDOYCLLBIN-FXAWDEMLSA-N -1 0 346.471 3.684 20 0 EHADRM CC[C@@H](CCc1ccccc1)NC(=O)N1CCC[C@](CC)(C(=O)[O-])C1 ZINC001589515424 955066537 /nfs/dbraw/zinc/06/65/37/955066537.db2.gz ZXAHKDOYCLLBIN-PXNSSMCTSA-N -1 0 346.471 3.684 20 0 EHADRM CC(C)C[C@@H]1CCCCN1C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001603018059 972074046 /nfs/dbraw/zinc/07/40/46/972074046.db2.gz FVZABKPZXHMTHA-FXAWDEMLSA-N -1 0 346.471 3.639 20 0 EHADRM O=C([O-])C1(CNC(=O)c2ccc(-c3ccc(F)cc3)cc2F)CCC1 ZINC000738497728 955243371 /nfs/dbraw/zinc/24/33/71/955243371.db2.gz OWNQCLSUHIXATB-UHFFFAOYSA-N -1 0 345.345 3.617 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)c2ccc(C(=O)[O-])cn2)cc1F ZINC001603024424 972083462 /nfs/dbraw/zinc/08/34/62/972083462.db2.gz PEJNHVQYDDBGNG-UHFFFAOYSA-N -1 0 346.358 3.596 20 0 EHADRM C/C(=C\C(=O)N[C@H](Cc1ccccc1)C(=O)[O-])c1cccc(Cl)c1 ZINC000766937568 955316064 /nfs/dbraw/zinc/31/60/64/955316064.db2.gz ALXDFPUGUOECEW-JIIJFUIFSA-N -1 0 343.810 3.555 20 0 EHADRM CC(C)C[C@H](NC(=O)Nc1ccc(SC(F)F)cc1)C(=O)[O-] ZINC000797734796 955348711 /nfs/dbraw/zinc/34/87/11/955348711.db2.gz WHHMJYGZXUYGRC-NSHDSACASA-N -1 0 332.372 3.622 20 0 EHADRM Cc1sc(CC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])nc1C(C)C ZINC001594512611 955401901 /nfs/dbraw/zinc/40/19/01/955401901.db2.gz ZAMYITBXVGIFGG-GFCCVEGCSA-N -1 0 340.489 3.513 20 0 EHADRM C[C@@H](CCCC(F)(F)F)NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001589013797 955408529 /nfs/dbraw/zinc/40/85/29/955408529.db2.gz CIWATYYCOPUQLJ-JTQLQIEISA-N -1 0 332.322 3.556 20 0 EHADRM CC(C)Oc1ccc(CC[C@H](C)NC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc1 ZINC001589016221 955439070 /nfs/dbraw/zinc/43/90/70/955439070.db2.gz BYNWJYSOVSAGEO-WMLDXEAASA-N -1 0 349.471 3.658 20 0 EHADRM CC1(C)CCC[C@@H]1CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000387016223 972097195 /nfs/dbraw/zinc/09/71/95/972097195.db2.gz KASPKVLBJVAJPL-SECBINFHSA-N -1 0 326.343 3.611 20 0 EHADRM Cc1cc(C(=O)[O-])c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000387246551 972113593 /nfs/dbraw/zinc/11/35/93/972113593.db2.gz LGMMHKAULUFREX-UHFFFAOYSA-N -1 0 340.744 3.569 20 0 EHADRM C[C@@H](CNC(=O)N[C@H](c1cccc(Cl)c1)C1CCCC1)C(=O)[O-] ZINC001589050499 955656636 /nfs/dbraw/zinc/65/66/36/955656636.db2.gz CYOGBXPGAVWADC-NHYWBVRUSA-N -1 0 338.835 3.591 20 0 EHADRM CC(C)Cc1ccc([C@@H](NC(=O)[C@H]2CC[C@H]2C(=O)[O-])C2CC2)cc1 ZINC001603054009 972118025 /nfs/dbraw/zinc/11/80/25/972118025.db2.gz FTGNCXFIIRMZKL-RCCFBDPRSA-N -1 0 329.440 3.563 20 0 EHADRM CC(C)c1ccc(C[C@H](C)NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)cc1 ZINC001589078812 955834759 /nfs/dbraw/zinc/83/47/59/955834759.db2.gz BKKBCJNMYNJDPH-MGPUTAFESA-N -1 0 329.440 3.668 20 0 EHADRM C[C@@H](NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)c1cccs1 ZINC000387651733 972131275 /nfs/dbraw/zinc/13/12/75/972131275.db2.gz DQHWCIATPFJXGH-SSDOTTSWSA-N -1 0 326.324 3.607 20 0 EHADRM C[C@@H](Cc1ccc(C(F)(F)F)cc1)c1nc([C@H](C)C(=O)[O-])no1 ZINC001589079008 955837386 /nfs/dbraw/zinc/83/73/86/955837386.db2.gz HXMRBFNJLSYIKE-IUCAKERBSA-N -1 0 328.290 3.623 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001589080826 955852550 /nfs/dbraw/zinc/85/25/50/955852550.db2.gz UJTNEEGRIFJOFO-LBPRGKRZSA-N -1 0 331.799 3.533 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000864119323 955947247 /nfs/dbraw/zinc/94/72/47/955947247.db2.gz AHNIFIPMPQRGER-CVEARBPZSA-N -1 0 327.355 3.585 20 0 EHADRM O=C(/C=C/c1ccc(C(=O)[O-])o1)N[C@@H](c1ccccc1)C1CCC1 ZINC000864128446 955953611 /nfs/dbraw/zinc/95/36/11/955953611.db2.gz HEBPGYQFSKSVIT-KSEUIEODSA-N -1 0 325.364 3.649 20 0 EHADRM C[C@H](NC(=O)N1CC(C)(C)[C@@H]1c1ccco1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589101521 956000572 /nfs/dbraw/zinc/00/05/72/956000572.db2.gz KSRXZIFPXHMYEO-XPCVCDNBSA-N -1 0 348.443 3.508 20 0 EHADRM C[C@H](NC(=O)Nc1nsc2ccccc21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589113989 956074190 /nfs/dbraw/zinc/07/41/90/956074190.db2.gz VQMAYLUBPCHMNX-ZMLRMANQSA-N -1 0 347.440 3.553 20 0 EHADRM C[C@@H]1CCN(C(=O)NCc2ccccc2C(=O)[O-])[C@@H](c2ccco2)C1 ZINC000874410361 956185386 /nfs/dbraw/zinc/18/53/86/956185386.db2.gz RJZDLSBLNRNBDY-CZUORRHYSA-N -1 0 342.395 3.661 20 0 EHADRM CC(C)[C@H](NC(=O)c1cc(F)c(Oc2ccccc2)c(F)c1)C(=O)[O-] ZINC001603096451 972170894 /nfs/dbraw/zinc/17/08/94/972170894.db2.gz HPBLQLCCAWCUCO-HNNXBMFYSA-N -1 0 349.333 3.596 20 0 EHADRM CO[C@@H](CNC(=O)Nc1ccccc1C(=O)[O-])c1cccc(Cl)c1 ZINC001593940833 956271143 /nfs/dbraw/zinc/27/11/43/956271143.db2.gz VFUYQXVTRFAKFK-HNNXBMFYSA-N -1 0 348.786 3.547 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N([C@@H](C)C(=O)[O-])C2CC2)c(Cl)c1 ZINC000900342362 956294377 /nfs/dbraw/zinc/29/43/77/956294377.db2.gz OGZMJENSRJSUNZ-JTQLQIEISA-N -1 0 340.807 3.597 20 0 EHADRM C[C@@H]1CN(C(=O)c2coc(/C=C\C(=O)[O-])c2)CC[C@@H]1c1ccccc1 ZINC000901598095 956363694 /nfs/dbraw/zinc/36/36/94/956363694.db2.gz ALXGCZONWNDQLE-OANZSSJVSA-N -1 0 339.391 3.643 20 0 EHADRM C[C@@H](Sc1nn2cc(-c3ccc(Cl)cc3)nc2s1)C(=O)[O-] ZINC001589172202 956470126 /nfs/dbraw/zinc/47/01/26/956470126.db2.gz AWWSJAFMMAEJRZ-SSDOTTSWSA-N -1 0 339.829 3.676 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C)C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001589175407 956496641 /nfs/dbraw/zinc/49/66/41/956496641.db2.gz DCTBKHYOWDRPGJ-GFCCVEGCSA-N -1 0 347.798 3.637 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)N2CCC[C@H]2CCc2ccccc2)co1 ZINC000901841218 956499483 /nfs/dbraw/zinc/49/94/83/956499483.db2.gz VPUYHMFRVAWWLY-DVQDXYAYSA-N -1 0 339.391 3.615 20 0 EHADRM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2coc(/C=C\C(=O)[O-])c2)C1 ZINC000901857069 956504627 /nfs/dbraw/zinc/50/46/27/956504627.db2.gz IAPCAUPGIPVKOM-XVNHHZQISA-N -1 0 343.354 3.740 20 0 EHADRM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2coc(/C=C\C(=O)[O-])c2)s1 ZINC000901922402 956545401 /nfs/dbraw/zinc/54/54/01/956545401.db2.gz MTVWVRAXFWFWIC-JMEBYUIHSA-N -1 0 348.424 3.538 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN1C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC001589188826 956582752 /nfs/dbraw/zinc/58/27/52/956582752.db2.gz ISFQQMPQVCGPLN-HXUWFJFHSA-N -1 0 340.423 3.516 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)Nc2ccc(CC(F)(F)F)cc2)CC1 ZINC001589192789 956602753 /nfs/dbraw/zinc/60/27/53/956602753.db2.gz QXEAHAUNAOZBEM-UHFFFAOYSA-N -1 0 344.333 3.510 20 0 EHADRM C[C@]1(Cc2ccccc2)CCCN1C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC000902033590 956623725 /nfs/dbraw/zinc/62/37/25/956623725.db2.gz GADWMLTWKUPPJQ-ZTBDEIDFSA-N -1 0 339.391 3.615 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NCC1(c2ccccc2F)CCC1 ZINC001589204874 956657436 /nfs/dbraw/zinc/65/74/36/956657436.db2.gz PTWBWIUYYVVUOW-UHFFFAOYSA-N -1 0 347.430 3.501 20 0 EHADRM O=C(C[C@@H]1CCC[C@H](C(F)(F)F)C1)NC1(C(=O)[O-])CCCCC1 ZINC001594677637 956671654 /nfs/dbraw/zinc/67/16/54/956671654.db2.gz SWHFTIJFELOZEA-NEPJUHHUSA-N -1 0 335.366 3.649 20 0 EHADRM CC1(C)C[C@H](c2ccccc2)CN1C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001589211842 956696278 /nfs/dbraw/zinc/69/62/78/956696278.db2.gz MUZRJMUZWWMHEM-HNNXBMFYSA-N -1 0 339.395 3.580 20 0 EHADRM Cc1csc(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)c1Cl ZINC000389189637 972211184 /nfs/dbraw/zinc/21/11/84/972211184.db2.gz MGFABXMMHBZTQN-GFCCVEGCSA-N -1 0 335.812 3.534 20 0 EHADRM CC1(C)C[C@]1(NC(=O)NCc1ccccc1C(=O)[O-])c1ccccc1 ZINC001589220508 956770300 /nfs/dbraw/zinc/77/03/00/956770300.db2.gz YOESYWMIQFQSTE-FQEVSTJZSA-N -1 0 338.407 3.509 20 0 EHADRM CC1(C)CCc2nc(NC(=O)/C=C/c3ccc(C(=O)[O-])o3)sc2C1 ZINC001589227447 956811544 /nfs/dbraw/zinc/81/15/44/956811544.db2.gz XCBGUYTXIFGLSJ-GQCTYLIASA-N -1 0 346.408 3.601 20 0 EHADRM CCCCCC(C)(C)CNS(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC000389277934 972216180 /nfs/dbraw/zinc/21/61/80/972216180.db2.gz TUKMCZSHJCDJKZ-UHFFFAOYSA-N -1 0 347.502 3.640 20 0 EHADRM O=C([O-])CC[C@H]1Cc2ccccc2N(C(=O)[C@H]2CC23CCCC3)C1 ZINC000902826743 956817402 /nfs/dbraw/zinc/81/74/02/956817402.db2.gz VJLQQSUXNVILOW-GOEBONIOSA-N -1 0 327.424 3.637 20 0 EHADRM CCO[C@@H](CC(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21)C(C)C ZINC000902827209 956817846 /nfs/dbraw/zinc/81/78/46/956817846.db2.gz XQROIKFKKONQBP-YJBOKZPZSA-N -1 0 347.455 3.508 20 0 EHADRM COc1ccc(-c2csc3ncnc(SCC(=O)[O-])c23)cc1 ZINC000005414315 956873242 /nfs/dbraw/zinc/87/32/42/956873242.db2.gz JVSGORVJYNHAAX-UHFFFAOYSA-N -1 0 332.406 3.544 20 0 EHADRM Cc1ccc(C(C)C)cc1OS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000013067422 956923589 /nfs/dbraw/zinc/92/35/89/956923589.db2.gz GFSUSQMGPQENED-UHFFFAOYSA-N -1 0 334.393 3.584 20 0 EHADRM CC[C@H](C)c1ccc(NC(=O)COc2ccc(C(=O)[O-])cc2)cc1 ZINC000013079807 956930849 /nfs/dbraw/zinc/93/08/49/956930849.db2.gz SLQMXTSKTYVUSQ-ZDUSSCGKSA-N -1 0 327.380 3.916 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc(-c2ccccc2)o1)c1ccc(F)cc1 ZINC001594716428 956933789 /nfs/dbraw/zinc/93/37/89/956933789.db2.gz SZVCGQRIYRWQHZ-QGZVFWFLSA-N -1 0 339.322 3.641 20 0 EHADRM C[C@@]1(Cc2cccs2)CCCN1C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001589247589 956946049 /nfs/dbraw/zinc/94/60/49/956946049.db2.gz OYMBWAZTXLQXGT-XFHJGTJQSA-N -1 0 345.420 3.676 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2c(F)cccc2Cl)cc1 ZINC000013178964 956960703 /nfs/dbraw/zinc/96/07/03/956960703.db2.gz LAHPLFUIRWYUFF-MRXNPFEDSA-N -1 0 349.789 3.662 20 0 EHADRM CSCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(C)cc2)cc1 ZINC000013181003 956967265 /nfs/dbraw/zinc/96/72/65/956967265.db2.gz ISWHHJSWLLJDMN-QGZVFWFLSA-N -1 0 343.448 3.804 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000013187026 956970065 /nfs/dbraw/zinc/97/00/65/956970065.db2.gz UUSIHOYPOXQWIZ-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM COc1ccccc1CCC(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000013187895 956972893 /nfs/dbraw/zinc/97/28/93/956972893.db2.gz JTUNTCMGVRENLT-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM O=C([O-])C1(NC(=O)[C@H]2[C@@H]3c4ccc(Cl)cc4C[C@H]23)CCCCCC1 ZINC001594721490 956973076 /nfs/dbraw/zinc/97/30/76/956973076.db2.gz CJUNCGCGANVXKR-ARFHVFGLSA-N -1 0 347.842 3.520 20 0 EHADRM C[C@@H](c1ccc(C(=O)NCCCCCC(=O)[O-])cc1)C(F)(F)F ZINC000909085212 957003547 /nfs/dbraw/zinc/00/35/47/957003547.db2.gz AIJRSAKSKAOAHJ-NSHDSACASA-N -1 0 331.334 3.727 20 0 EHADRM C[C@H]1CCc2sc(C(=O)N[C@@H](CC(=O)[O-])c3cccs3)cc2C1 ZINC000013388402 957039547 /nfs/dbraw/zinc/03/95/47/957039547.db2.gz ZAUAFMSZOSNMFC-JQWIXIFHSA-N -1 0 349.477 3.880 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)/C=C/c1ccccc1Cl)c1cccs1 ZINC000013389303 957041321 /nfs/dbraw/zinc/04/13/21/957041321.db2.gz SBEFCSOSYLVGEU-SBDDDAINSA-N -1 0 335.812 3.747 20 0 EHADRM Cc1ccc(C)c(SCC(=O)N[C@@H](CC(=O)[O-])c2cccs2)c1 ZINC000013389740 957042248 /nfs/dbraw/zinc/04/22/48/957042248.db2.gz UTXRYZAUGAUMOE-ZDUSSCGKSA-N -1 0 349.477 3.789 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)CCc1ccc(Cl)cc1 ZINC000013390726 957045108 /nfs/dbraw/zinc/04/51/08/957045108.db2.gz NASNUDXMIGERIE-UHFFFAOYSA-N -1 0 343.810 3.950 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000013391234 957047571 /nfs/dbraw/zinc/04/75/71/957047571.db2.gz FOBMMLVRARPFAB-UHFFFAOYSA-N -1 0 339.269 3.844 20 0 EHADRM C[C@@H](NC(=O)COc1cccc(C(=O)[O-])c1)c1cccc2ccccc21 ZINC000013419309 957060988 /nfs/dbraw/zinc/06/09/88/957060988.db2.gz WRRCJVWHZQXFRA-CQSZACIVSA-N -1 0 349.386 3.794 20 0 EHADRM O=C([O-])Cc1ccc(OCc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000013421273 957066167 /nfs/dbraw/zinc/06/61/67/957066167.db2.gz GXHRZMYYCJPOFS-UHFFFAOYSA-N -1 0 332.224 3.588 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)/C=C/c1ccccc1Cl ZINC000013429098 957070230 /nfs/dbraw/zinc/07/02/30/957070230.db2.gz YYGOSRUWCOPUQY-ZHACJKMWSA-N -1 0 343.810 3.857 20 0 EHADRM C[C@H]1CCc2c(C(=O)N(C)c3ccccc3C(=O)[O-])csc2C1 ZINC000013440953 957079066 /nfs/dbraw/zinc/07/90/66/957079066.db2.gz SRKYJOUTCXDZKG-NSHDSACASA-N -1 0 329.421 3.848 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OCC(=O)N[C@H](c1ccccc1)C(C)C ZINC000013457846 957091965 /nfs/dbraw/zinc/09/19/65/957091965.db2.gz DUZWUKUJTOTCRI-IBGZPJMESA-N -1 0 341.407 3.586 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccnc3cc(Cl)ccc32)C1 ZINC000923068045 957099437 /nfs/dbraw/zinc/09/94/37/957099437.db2.gz CILYTISLKACMMD-LBPRGKRZSA-N -1 0 346.814 3.605 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCSc1ccccc1Cl ZINC000389718539 972242732 /nfs/dbraw/zinc/24/27/32/972242732.db2.gz JPNRQKZQZSHTAC-VXGBXAGGSA-N -1 0 341.860 3.534 20 0 EHADRM O=C([O-])c1ccc(CC(=O)Nc2ccccc2N2CCCCC2)cc1 ZINC000034144618 957191535 /nfs/dbraw/zinc/19/15/35/957191535.db2.gz IZBPTLOZIOHVRN-UHFFFAOYSA-N -1 0 338.407 3.556 20 0 EHADRM C[C@@H](SCCOc1ccc(Cl)cc1Br)C(=O)[O-] ZINC000036967190 957248718 /nfs/dbraw/zinc/24/87/18/957248718.db2.gz MUTRETISZUAQIQ-SSDOTTSWSA-N -1 0 339.638 3.688 20 0 EHADRM O=C([O-])c1c(NC(=O)c2ccc(Cl)o2)sc2c1CCCC2 ZINC000037326440 957269535 /nfs/dbraw/zinc/26/95/35/957269535.db2.gz FBAABFXTCCNULU-UHFFFAOYSA-N -1 0 325.773 3.824 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1sc2ccccc2c1Cl)C(=O)[O-] ZINC000037410959 957278746 /nfs/dbraw/zinc/27/87/46/957278746.db2.gz FLSCWVIEBNLUKT-UFBFGSQYSA-N -1 0 325.817 3.784 20 0 EHADRM Cc1cc(C(=O)[O-])c(NC(=O)c2cc(-c3ccccc3)on2)s1 ZINC000389984573 972259284 /nfs/dbraw/zinc/25/92/84/972259284.db2.gz ZMTLMTSGEIBIHK-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM CC(C)(CC(=O)[O-])Cc1nnc(-c2ccc(Br)s2)o1 ZINC000061827945 957586521 /nfs/dbraw/zinc/58/65/21/957586521.db2.gz DBDDNUDJCMEPDQ-UHFFFAOYSA-N -1 0 345.218 3.604 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)C1 ZINC000062118244 957599677 /nfs/dbraw/zinc/59/96/77/957599677.db2.gz PRWRYVBLNRHJOY-SSDOTTSWSA-N -1 0 344.219 3.755 20 0 EHADRM Cc1ccc(C(C)C)c(OCC(=O)Oc2ccccc2C(=O)[O-])c1 ZINC000066143811 957641871 /nfs/dbraw/zinc/64/18/71/957641871.db2.gz HHMXWWHQDBZNGJ-UHFFFAOYSA-N -1 0 328.364 3.801 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)Oc1ccc(C(=O)[O-])cc1 ZINC000066144496 957642670 /nfs/dbraw/zinc/64/26/70/957642670.db2.gz QWSXEDLZROHPFA-ZDUSSCGKSA-N -1 0 328.364 3.883 20 0 EHADRM O=C([O-])c1ccc(OC(=O)C2CCCCC2)c(Br)c1 ZINC000066144969 957643560 /nfs/dbraw/zinc/64/35/60/957643560.db2.gz YKDZNMYDRMKCBV-UHFFFAOYSA-N -1 0 327.174 3.633 20 0 EHADRM C[C@](CNC(=O)Nc1ccc(C2CC2)cc1)(C(=O)[O-])c1ccccc1 ZINC001603183628 972282948 /nfs/dbraw/zinc/28/29/48/972282948.db2.gz LEDUCVORMMUYHM-HXUWFJFHSA-N -1 0 338.407 3.728 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)NC2CCC(F)(F)CC2)c1 ZINC000390500142 972289590 /nfs/dbraw/zinc/28/95/90/972289590.db2.gz NXGKDJGFHRIARU-UHFFFAOYSA-N -1 0 332.734 3.738 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@@H](CCc2ccccc2)C(F)F)c1 ZINC001594286913 957787447 /nfs/dbraw/zinc/78/74/47/957787447.db2.gz RCUZRRNEKLIFBO-INIZCTEOSA-N -1 0 347.361 3.690 20 0 EHADRM O=C([O-])c1c(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)nc2ccccn21 ZINC001574788726 957798002 /nfs/dbraw/zinc/79/80/02/957798002.db2.gz WBQJWSHWIDVIOL-BFHYXJOUSA-N -1 0 341.411 3.578 20 0 EHADRM COc1cccc(SCCOc2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC000390556728 972293479 /nfs/dbraw/zinc/29/34/79/972293479.db2.gz LNEVXICWOHWZBC-YFHOEESVSA-N -1 0 330.405 3.964 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N2CCCSc3ccccc32)o1 ZINC001574799649 957831039 /nfs/dbraw/zinc/83/10/39/957831039.db2.gz JEQXONVYGPTLJY-VQHVLOKHSA-N -1 0 329.377 3.520 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(Cl)c3cccnc23)C1 ZINC001341240774 957953100 /nfs/dbraw/zinc/95/31/00/957953100.db2.gz WMTSKWYOYOAMTG-SFHVURJKSA-N -1 0 346.814 3.605 20 0 EHADRM COc1cc(Cl)c(C)cc1NC(=O)NCc1ccccc1C(=O)[O-] ZINC001594058719 958068519 /nfs/dbraw/zinc/06/85/19/958068519.db2.gz LAXSIKZWKJNXCM-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM Cc1cc(NC(=O)NC[C@@H]2CCc3ccccc3C2)ccc1C(=O)[O-] ZINC001594319244 958108687 /nfs/dbraw/zinc/10/86/87/958108687.db2.gz FHDCTGAZWLSOIR-CQSZACIVSA-N -1 0 338.407 3.620 20 0 EHADRM Cc1cc(NC(=O)NCc2cnccc2C(C)(C)C)ccc1C(=O)[O-] ZINC001594322740 958132525 /nfs/dbraw/zinc/13/25/25/958132525.db2.gz ABYNUTVPOFCAGK-UHFFFAOYSA-N -1 0 341.411 3.707 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])ccc1C(C)C ZINC001594326395 958176417 /nfs/dbraw/zinc/17/64/17/958176417.db2.gz DIGCNQLRMOJHRX-JCKWVBRZSA-N -1 0 347.455 3.597 20 0 EHADRM CC(C)[C@@H](CNC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1 ZINC001356608568 958177537 /nfs/dbraw/zinc/17/75/37/958177537.db2.gz PJQJXGZFWIDHJT-FUHWJXTLSA-N -1 0 346.471 3.713 20 0 EHADRM COc1ccc(-c2csc3ncnc(N[C@H](C)CC(=O)[O-])c23)cc1 ZINC001594071305 958186549 /nfs/dbraw/zinc/18/65/49/958186549.db2.gz RJJWZVIGAQLAJY-SNVBAGLBSA-N -1 0 343.408 3.642 20 0 EHADRM CN(Cc1ccc(F)cc1)c1nc(C(F)(F)F)ccc1C(=O)[O-] ZINC000391369364 972331767 /nfs/dbraw/zinc/33/17/67/972331767.db2.gz PIVGOEJWUGWIHU-UHFFFAOYSA-N -1 0 328.265 3.574 20 0 EHADRM Cc1cc2cc[nH]c2cc1NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001594332264 958236501 /nfs/dbraw/zinc/23/65/01/958236501.db2.gz OFMSRDRMTVNQSJ-ZDUSSCGKSA-N -1 0 329.400 3.585 20 0 EHADRM Cc1nc(-c2ccc(C)cc2)sc1C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC001594335600 958261489 /nfs/dbraw/zinc/26/14/89/958261489.db2.gz VYHCHWHFBIFDEU-CQSZACIVSA-N -1 0 346.452 3.514 20 0 EHADRM Cc1ccc(C)c(C2CCN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)c1 ZINC001551453117 958298513 /nfs/dbraw/zinc/29/85/13/958298513.db2.gz CHNRYLHHLNYBNN-DLBZAZTESA-N -1 0 329.440 3.510 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC001594350316 958346845 /nfs/dbraw/zinc/34/68/45/958346845.db2.gz YUUNICNEJNZZLA-GDBMZVCRSA-N -1 0 335.444 3.501 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)COc1cccc(C(C)C)c1 ZINC000391487481 972341146 /nfs/dbraw/zinc/34/11/46/972341146.db2.gz IMQZHVAKVVLAIV-UHFFFAOYSA-N -1 0 333.409 3.896 20 0 EHADRM Cc1ccc(CC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1Cl ZINC001594353961 958394648 /nfs/dbraw/zinc/39/46/48/958394648.db2.gz XUTMYWGXCOMVNI-NVXWUHKLSA-N -1 0 343.810 3.620 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2cccnc2C(=O)[O-])o1 ZINC001594355062 958405955 /nfs/dbraw/zinc/40/59/55/958405955.db2.gz ZRCCUZXNIDWILN-RISCZKNCSA-N -1 0 343.383 3.686 20 0 EHADRM N#Cc1ccc(Oc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])c(F)c1 ZINC000391566883 972347048 /nfs/dbraw/zinc/34/70/48/972347048.db2.gz BFKIGEMTJMHAKU-UHFFFAOYSA-N -1 0 336.662 3.749 20 0 EHADRM O=C([O-])c1sccc1NC(=O)c1sccc1Br ZINC000111527714 958435653 /nfs/dbraw/zinc/43/56/53/958435653.db2.gz QJBWJWWDIXZBLD-UHFFFAOYSA-N -1 0 332.200 3.523 20 0 EHADRM Cc1ccc(Cl)cc1CNC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC001594363442 958474749 /nfs/dbraw/zinc/47/47/49/958474749.db2.gz YWARPHSBOQIXND-OAHLLOKOSA-N -1 0 338.835 3.577 20 0 EHADRM Cc1ccc(Oc2ccc(C(=O)Nc3ccc(C(=O)[O-])cn3)nc2)cc1 ZINC001594375968 958587859 /nfs/dbraw/zinc/58/78/59/958587859.db2.gz NSJZIFBWILABCH-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC001588482078 958598020 /nfs/dbraw/zinc/59/80/20/958598020.db2.gz RWLCPPFJPLZANX-LLLGYDHXSA-N -1 0 335.403 3.609 20 0 EHADRM COc1cccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)c1F ZINC001594122269 958606384 /nfs/dbraw/zinc/60/63/84/958606384.db2.gz YFNOFESFALWITD-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM C[C@@H](C(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001573364799 958617382 /nfs/dbraw/zinc/61/73/82/958617382.db2.gz QTWHGTWRQBGVRC-JRKPZEMJSA-N -1 0 330.211 3.561 20 0 EHADRM Cc1cccc(-c2ccc(C(=O)NCc3cccc(C(=O)[O-])c3)n2C)c1 ZINC001594385854 958665868 /nfs/dbraw/zinc/66/58/68/958665868.db2.gz JHVASGBYGLUYJN-UHFFFAOYSA-N -1 0 348.402 3.629 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCc2oc(-c3ccccc3)cc2C1 ZINC001573390157 958690866 /nfs/dbraw/zinc/69/08/66/958690866.db2.gz ITLAFCIJFNAAJN-QGZVFWFLSA-N -1 0 341.407 3.578 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1cccs1 ZINC000129589886 958713070 /nfs/dbraw/zinc/71/30/70/958713070.db2.gz HKCNKDFZHZFNHY-LLVKDONJSA-N -1 0 330.192 3.611 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)Cc1cccc(OC(C)C)c1 ZINC001594391155 958722216 /nfs/dbraw/zinc/72/22/16/958722216.db2.gz XMQGYJSJIIKOFJ-UHFFFAOYSA-N -1 0 327.380 3.662 20 0 EHADRM COc1ccccc1C[C@@H]1CCC[C@H]1OC(=O)CCCCC(=O)[O-] ZINC001594145339 958756571 /nfs/dbraw/zinc/75/65/71/958756571.db2.gz PTBSETDPJBYNGP-DOTOQJQBSA-N -1 0 334.412 3.595 20 0 EHADRM Cc1cccc([C@@H](NCc2csc(-c3ccoc3)n2)C(=O)[O-])c1 ZINC001594398583 958805889 /nfs/dbraw/zinc/80/58/89/958805889.db2.gz YJULVZRBCBREIK-OAHLLOKOSA-N -1 0 328.393 3.627 20 0 EHADRM CC(=O)Nc1cc(Cl)c(NC(=O)CCCCC(=O)[O-])c(Cl)c1 ZINC001588517881 958809956 /nfs/dbraw/zinc/80/99/56/958809956.db2.gz ZBOCCOSKXJOSEY-UHFFFAOYSA-N -1 0 347.198 3.535 20 0 EHADRM CC(=O)c1cc(C(=O)Nc2sccc2C(=O)[O-])ccc1OC(C)C ZINC001588528274 958883619 /nfs/dbraw/zinc/88/36/19/958883619.db2.gz WJHSZOCVIVZXMH-UHFFFAOYSA-N -1 0 347.392 3.688 20 0 EHADRM Cc1cccc(NC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c1F ZINC001594407606 958908175 /nfs/dbraw/zinc/90/81/75/958908175.db2.gz BHUYXNCMMJCLFW-ZFWWWQNUSA-N -1 0 328.343 3.569 20 0 EHADRM CC(=O)c1ccc2ccccc2c1NC(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC001588534757 958925188 /nfs/dbraw/zinc/92/51/88/958925188.db2.gz SSTFHKBXPVMWEN-HNNXBMFYSA-N -1 0 327.380 3.728 20 0 EHADRM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC001594410990 958950114 /nfs/dbraw/zinc/95/01/14/958950114.db2.gz IMKSMJWSOODAQS-QKPAOTATSA-N -1 0 329.440 3.688 20 0 EHADRM Cc1cccc2c1CN(C(=O)Nc1cccc(CCC(=O)[O-])c1)CC2 ZINC001594412273 958955139 /nfs/dbraw/zinc/95/51/39/958955139.db2.gz BOYUREMADMFYHH-UHFFFAOYSA-N -1 0 338.407 3.602 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)NC[C@H](CC(C)C)C(=O)[O-])C(C)C ZINC001594415060 958986822 /nfs/dbraw/zinc/98/68/22/958986822.db2.gz AYRVZIQHEGJRMR-DOTOQJQBSA-N -1 0 334.460 3.738 20 0 EHADRM Cc1cc(S(=O)(=O)NCCCCCCC(C)C)ccc1C(=O)[O-] ZINC000391928315 972392001 /nfs/dbraw/zinc/39/20/01/972392001.db2.gz KXWVCXSXBSXAPS-UHFFFAOYSA-N -1 0 341.473 3.578 20 0 EHADRM CC(C)[C@@H](CNC(=O)N(C)C1CC(C)(C)CC(C)(C)C1)C(=O)[O-] ZINC001573493136 959032427 /nfs/dbraw/zinc/03/24/27/959032427.db2.gz XXFDINVIKKKFPM-CQSZACIVSA-N -1 0 326.481 3.590 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2c(F)cccc2Cl)c2ccccc21 ZINC001605745041 972396205 /nfs/dbraw/zinc/39/62/05/972396205.db2.gz YKRQMEZKJLPNAU-BXUZGUMPSA-N -1 0 333.746 3.522 20 0 EHADRM O=C([O-])c1cccc(F)c1NC(=O)c1ccc(Br)cc1 ZINC000150245649 959037349 /nfs/dbraw/zinc/03/73/49/959037349.db2.gz DEZGKGVZEUNERO-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM Cc1ccccc1OCCCN(C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001594419670 959045418 /nfs/dbraw/zinc/04/54/18/959045418.db2.gz HUCJTVMFVPKOEG-UHFFFAOYSA-N -1 0 342.395 3.626 20 0 EHADRM CC(C)C[C@H](CNC(=O)N(C)[C@@H]1CCC[C@@H]1C(C)(C)C)C(=O)[O-] ZINC001573509936 959088160 /nfs/dbraw/zinc/08/81/60/959088160.db2.gz WZYYURPQPACLQV-QLFBSQMISA-N -1 0 326.481 3.590 20 0 EHADRM CC(C)C[C@H](CNC(=O)N[C@H](C)c1ccc(Cl)c(F)c1)C(=O)[O-] ZINC001573511249 959097441 /nfs/dbraw/zinc/09/74/41/959097441.db2.gz SPFAOXXILBCXEB-ZYHUDNBSSA-N -1 0 344.814 3.586 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)N(CCSc1ccc(F)cc1)c1ccccc1 ZINC001588561950 959102906 /nfs/dbraw/zinc/10/29/06/959102906.db2.gz AXKFZDFUKXSUPQ-CYBMUJFWSA-N -1 0 347.411 3.672 20 0 EHADRM O=C([O-])CC1CCN(Cc2ccc(Br)cc2Cl)CC1 ZINC000159115980 959111611 /nfs/dbraw/zinc/11/16/11/959111611.db2.gz VKLVZMUUCJPMIA-UHFFFAOYSA-N -1 0 346.652 3.789 20 0 EHADRM CC(C)CN(CCc1ccccc1)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001573518155 959117399 /nfs/dbraw/zinc/11/73/99/959117399.db2.gz OTULHNOFOMIIDV-LUAWRHEFSA-N -1 0 341.407 3.718 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1(C)C ZINC001588565222 959134889 /nfs/dbraw/zinc/13/48/89/959134889.db2.gz QAFFRMZNSQFDAZ-GXFFZTMASA-N -1 0 343.345 3.521 20 0 EHADRM CSCc1cc(F)ccc1CNC(=O)Nc1ccccc1C(=O)[O-] ZINC001594188033 959139298 /nfs/dbraw/zinc/13/92/98/959139298.db2.gz KCDJOCFTNLGQGZ-UHFFFAOYSA-N -1 0 348.399 3.709 20 0 EHADRM CSCCc1ccccc1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001594188264 959142934 /nfs/dbraw/zinc/14/29/34/959142934.db2.gz WKTZGOMYPIIQEY-UHFFFAOYSA-N -1 0 344.436 3.612 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)N[C@@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC001588569142 959173153 /nfs/dbraw/zinc/17/31/53/959173153.db2.gz CNXDRZFKPMZEGD-YVEFUNNKSA-N -1 0 343.448 3.553 20 0 EHADRM CSCC[C@@H](C)N(C)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000161794713 959193071 /nfs/dbraw/zinc/19/30/71/959193071.db2.gz UGSQXOPUEYXWQG-SECBINFHSA-N -1 0 330.837 3.644 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)CC(C)(C)Cc1ccc(Cl)cc1 ZINC001573546242 959207663 /nfs/dbraw/zinc/20/76/63/959207663.db2.gz QWNJQXRYZQYHJQ-UHFFFAOYSA-N -1 0 325.836 3.620 20 0 EHADRM CSc1ccccc1[C@@H](C)NC(=O)Cc1ccccc1C(=O)[O-] ZINC001594198069 959216456 /nfs/dbraw/zinc/21/64/56/959216456.db2.gz WAGAXFNUJZZKSY-GFCCVEGCSA-N -1 0 329.421 3.527 20 0 EHADRM COc1ccc(C)cc1COc1cc(/C=C\C(=O)[O-])ccc1OC ZINC000392124413 972412006 /nfs/dbraw/zinc/41/20/06/972412006.db2.gz YYTIOKULRLNHLM-TWGQIWQCSA-N -1 0 328.364 3.689 20 0 EHADRM CC(C)c1cc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)no1 ZINC001573559343 959270681 /nfs/dbraw/zinc/27/06/81/959270681.db2.gz LJKRPUIWNNKQBV-UHFFFAOYSA-N -1 0 326.711 3.541 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)/C=C/c1ccsc1C(F)(F)F ZINC001594212234 959300827 /nfs/dbraw/zinc/30/08/27/959300827.db2.gz JFIRDCJULAEVJS-PFLKOTLJSA-N -1 0 347.358 3.634 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC001573581781 959359604 /nfs/dbraw/zinc/35/96/04/959359604.db2.gz YUXQULVEDGMUIZ-CYBMUJFWSA-N -1 0 327.380 3.688 20 0 EHADRM C[C@@H](CN(C)c1nc(C2CC2)nc2sc3c(c21)CCCC3)C(=O)[O-] ZINC001573588810 959387021 /nfs/dbraw/zinc/38/70/21/959387021.db2.gz XKDNQISOIWHIFB-JTQLQIEISA-N -1 0 345.468 3.604 20 0 EHADRM C[C@H](C(=O)[O-])c1noc(-c2cc(-c3ccco3)nc3ccccc32)n1 ZINC001588600316 959419086 /nfs/dbraw/zinc/41/90/86/959419086.db2.gz WWOSBRZSQKZNNG-JTQLQIEISA-N -1 0 335.319 3.733 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000178158499 959426260 /nfs/dbraw/zinc/42/62/60/959426260.db2.gz YTZCHKYAFUEJNK-OAHLLOKOSA-N -1 0 325.364 3.733 20 0 EHADRM Cc1ccccc1C(C)(C)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000178211302 959429834 /nfs/dbraw/zinc/42/98/34/959429834.db2.gz YFMAFVOOYMQILE-UHFFFAOYSA-N -1 0 325.408 3.629 20 0 EHADRM C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001573608466 959466033 /nfs/dbraw/zinc/46/60/33/959466033.db2.gz RPHPBEOBXCIUPZ-OUAUKWLOSA-N -1 0 344.238 3.542 20 0 EHADRM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])cn1 ZINC000190626282 959513902 /nfs/dbraw/zinc/51/39/02/959513902.db2.gz PGVPCEMTNKRSAA-WMZOPIPTSA-N -1 0 338.407 3.578 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)CC2CCC(C(F)(F)F)CC2)c1 ZINC000190894561 959528677 /nfs/dbraw/zinc/52/86/77/959528677.db2.gz DDGYPDXPDAWRGV-UHFFFAOYSA-N -1 0 343.345 3.760 20 0 EHADRM C[C@H](CNC(=O)c1cc(Cl)ccc1Sc1ccccc1)C(=O)[O-] ZINC000190970227 959531616 /nfs/dbraw/zinc/53/16/16/959531616.db2.gz BAFLDFWSSSOYRR-LLVKDONJSA-N -1 0 349.839 3.942 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)C2(Cc3ccccc3)CC2)cc1)C(=O)[O-] ZINC000191397507 959558264 /nfs/dbraw/zinc/55/82/64/959558264.db2.gz QWQDMFIHLQNIHP-OAHLLOKOSA-N -1 0 337.419 3.911 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)/C=C/SCc2ccco2)cc1)C(=O)[O-] ZINC000191404414 959560553 /nfs/dbraw/zinc/56/05/53/959560553.db2.gz CDQFJGFPQWIVLK-FROQITRMSA-N -1 0 345.420 3.928 20 0 EHADRM Cc1cc(F)c(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1F ZINC000191410277 959562471 /nfs/dbraw/zinc/56/24/71/959562471.db2.gz VLQCUJXTMIORAM-LLVKDONJSA-N -1 0 333.334 3.789 20 0 EHADRM O=C([O-])C1(CNC(=O)c2ccc(SC(F)F)cc2)CCCCC1 ZINC000191509758 959574098 /nfs/dbraw/zinc/57/40/98/959574098.db2.gz XZNAVGKBEAQDEO-UHFFFAOYSA-N -1 0 343.395 3.766 20 0 EHADRM Cc1ccc(CCC(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)cc1 ZINC000191528781 959577943 /nfs/dbraw/zinc/57/79/43/959577943.db2.gz DXYSLOCBLTYSAK-IBGZPJMESA-N -1 0 339.435 3.520 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001573665133 959687062 /nfs/dbraw/zinc/68/70/62/959687062.db2.gz PYRAUNUBGOYSTK-RVZJWNSFSA-N -1 0 335.831 3.593 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N[C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001573665217 959688912 /nfs/dbraw/zinc/68/89/12/959688912.db2.gz UBVZEDUKLGLPFA-XAYKYTGQSA-N -1 0 335.831 3.593 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Oc1ccc(Oc2ccccn2)cc1 ZINC001588641139 959696855 /nfs/dbraw/zinc/69/68/55/959696855.db2.gz XJRNVMZPOPLSSQ-OAHLLOKOSA-N -1 0 329.352 3.526 20 0 EHADRM Cc1c(Cl)cccc1NC(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001594262099 959702500 /nfs/dbraw/zinc/70/25/00/959702500.db2.gz GHZKXEVROKYLQU-AWEZNQCLSA-N -1 0 336.750 3.735 20 0 EHADRM CC1(C)CCc2c(sc(NC(=O)c3ccccn3)c2C(=O)[O-])C1 ZINC001573675805 959725212 /nfs/dbraw/zinc/72/52/12/959725212.db2.gz PWVYOINHRHISEC-UHFFFAOYSA-N -1 0 330.409 3.609 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)C1(c2cccc(F)c2)CCC1)C(=O)[O-] ZINC001588645610 959734378 /nfs/dbraw/zinc/73/43/78/959734378.db2.gz QIZBFCVEHTXVES-OAHLLOKOSA-N -1 0 335.419 3.643 20 0 EHADRM Cc1c(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])noc1C(C)(C)C ZINC001594266223 959739790 /nfs/dbraw/zinc/73/97/90/959739790.db2.gz DTOXEFSRHMUDRM-GFCCVEGCSA-N -1 0 337.420 3.532 20 0 EHADRM Cc1c(NCC(C)(C)C)cccc1C(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC001594267366 959751567 /nfs/dbraw/zinc/75/15/67/959751567.db2.gz WIRYDTQGXAAECH-ZDUSSCGKSA-N -1 0 332.444 3.531 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)C1 ZINC001573699623 959818018 /nfs/dbraw/zinc/81/80/18/959818018.db2.gz SXTOEXGAZPAEOW-LSDHHAIUSA-N -1 0 343.467 3.585 20 0 EHADRM Cc1cc(C)c(OCC(=O)NCC2(CC(=O)[O-])CCCCC2)c(C)c1 ZINC000392312930 972469652 /nfs/dbraw/zinc/46/96/52/972469652.db2.gz OQGWZHRWOGQGTB-UHFFFAOYSA-N -1 0 347.455 3.532 20 0 EHADRM Cc1ccc(NC(=O)NCC2(C(=O)[O-])CCCC2)cc1C(F)(F)F ZINC000392440863 972486791 /nfs/dbraw/zinc/48/67/91/972486791.db2.gz AOYQPNZDEINVHH-UHFFFAOYSA-N -1 0 344.333 3.780 20 0 EHADRM C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCC(=O)C[C@H]3C)c2C(=O)[O-])C1 ZINC001573737733 960460603 /nfs/dbraw/zinc/46/06/03/960460603.db2.gz CIFFOVZCWVSWHU-CKYFFXLPSA-N -1 0 349.452 3.515 20 0 EHADRM O=C([O-])CC[C@H](CC1CCCCC1)NC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001123379966 960462945 /nfs/dbraw/zinc/46/29/45/960462945.db2.gz HOPMKRNUHYXXDL-FGTMMUONSA-N -1 0 344.455 3.505 20 0 EHADRM O=C([O-])CC1(CNC(=O)CC2CCC(C(F)(F)F)CC2)CCCC1 ZINC001123388615 960468876 /nfs/dbraw/zinc/46/88/76/960468876.db2.gz DLRINWNJNDOINT-UHFFFAOYSA-N -1 0 349.393 3.897 20 0 EHADRM C[C@H]1OCC[C@@H]1SCc1ccc(C(=O)[O-])cc1Br ZINC000235638648 960471380 /nfs/dbraw/zinc/47/13/80/960471380.db2.gz UOKQUCYUEYRCJZ-PELKAZGASA-N -1 0 331.231 3.558 20 0 EHADRM Cc1cc(C)c(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c(Br)c1 ZINC000235818132 960504293 /nfs/dbraw/zinc/50/42/93/960504293.db2.gz AJBOAIADHOFMPG-WDEREUQCSA-N -1 0 340.217 3.505 20 0 EHADRM C[C@H]1CN(C(=O)c2coc(/C=C\C(=O)[O-])c2)c2ccccc2S1 ZINC001573747527 960506223 /nfs/dbraw/zinc/50/62/23/960506223.db2.gz DYHPEABOMLPJEE-ZADCQDASSA-N -1 0 329.377 3.518 20 0 EHADRM O=C([O-])COc1ccccc1CN1CCC[C@H]1c1ccc(F)cc1F ZINC001231793479 960625706 /nfs/dbraw/zinc/62/57/06/960625706.db2.gz BEZHQVDJYGVJJC-KRWDZBQOSA-N -1 0 347.361 3.765 20 0 EHADRM C[C@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)c1cc2ccccc2o1 ZINC001574288259 960666943 /nfs/dbraw/zinc/66/69/43/960666943.db2.gz MNIJRSWCWKCFJI-LBPRGKRZSA-N -1 0 338.363 3.691 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)N2CCc3c(cccc3C(=O)[O-])C2)cc1 ZINC000392794331 972523284 /nfs/dbraw/zinc/52/32/84/972523284.db2.gz HHEDJXLNNGTBEG-CQSZACIVSA-N -1 0 338.407 3.522 20 0 EHADRM C[C@H](OC(=O)[C@]1(C(=O)[O-])CC1(C)C)c1ccc(OC(F)(F)F)cc1 ZINC001574289097 960670854 /nfs/dbraw/zinc/67/08/54/960670854.db2.gz BAHLRBHQWSVANS-BJOHPYRUSA-N -1 0 346.301 3.690 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001573777002 960699892 /nfs/dbraw/zinc/69/98/92/960699892.db2.gz VIPVDPMLHRCYLZ-FUWURINLSA-N -1 0 340.379 3.609 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000236578943 960710469 /nfs/dbraw/zinc/71/04/69/960710469.db2.gz BILLTUKZLCGGIW-CQSZACIVSA-N -1 0 347.436 3.871 20 0 EHADRM CCC(CC)(CNC(=O)N1CC[C@H]([C@@H]2CCCC2(C)C)C1)C(=O)[O-] ZINC001573783773 960721491 /nfs/dbraw/zinc/72/14/91/960721491.db2.gz ALZCQLQCHVPXLA-GJZGRUSLSA-N -1 0 338.492 3.735 20 0 EHADRM CCC(CC)(CNC(=O)N1CC[C@@H]([C@@H]2CCCC2(C)C)C1)C(=O)[O-] ZINC001573783772 960721625 /nfs/dbraw/zinc/72/16/25/960721625.db2.gz ALZCQLQCHVPXLA-CABCVRRESA-N -1 0 338.492 3.735 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)OC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001574307281 960747517 /nfs/dbraw/zinc/74/75/17/960747517.db2.gz YGICYGBJBFDOTP-HZSPNIEDSA-N -1 0 346.379 3.615 20 0 EHADRM CCCCC[C@@H](NC(=O)C[C@H](c1ccccc1)C(F)(F)F)C(=O)[O-] ZINC000236819697 960764747 /nfs/dbraw/zinc/76/47/47/960764747.db2.gz QXRZFAWGLDLUSH-ZIAGYGMSSA-N -1 0 345.361 3.872 20 0 EHADRM CCC[C@](C)(NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000236825059 960765220 /nfs/dbraw/zinc/76/52/20/960765220.db2.gz QLBVVLNYRZLTKT-VFZGTOFNSA-N -1 0 348.226 3.520 20 0 EHADRM CCC[C@](C)(NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC000236844729 960772544 /nfs/dbraw/zinc/77/25/44/960772544.db2.gz KVYHEIYUQNIBRB-IBGZPJMESA-N -1 0 327.380 3.852 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N(C)[C@@H](C)Cc2cccc(F)c2)c1 ZINC001574315619 960782125 /nfs/dbraw/zinc/78/21/25/960782125.db2.gz PKLQTWHUKCEOSC-ZDUSSCGKSA-N -1 0 329.371 3.536 20 0 EHADRM CCC(CC)(CNC(=O)c1ccc(SC(F)(F)F)cc1)C(=O)[O-] ZINC000236881996 960789450 /nfs/dbraw/zinc/78/94/50/960789450.db2.gz CMKKUIPHHXLFNO-UHFFFAOYSA-N -1 0 349.374 3.919 20 0 EHADRM CC/C=C(/C)C(=O)N[C@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000236904203 960795551 /nfs/dbraw/zinc/79/55/51/960795551.db2.gz YGTICYPCCUTCPX-JTMRULEUSA-N -1 0 345.317 3.574 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000236972269 960818711 /nfs/dbraw/zinc/81/87/11/960818711.db2.gz BGYOWCRYLNZWEK-QMTMVMCOSA-N -1 0 339.435 3.931 20 0 EHADRM Cc1cc(C)cc(C2(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])CC2)c1 ZINC001574321610 960824180 /nfs/dbraw/zinc/82/41/80/960824180.db2.gz BIFVUEMPALMTCZ-INIZCTEOSA-N -1 0 331.456 3.731 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H](C)Oc1cccc(C(C)(C)C)c1 ZINC000237016434 960836692 /nfs/dbraw/zinc/83/66/92/960836692.db2.gz IMGATYZOOOTJHG-YJYMSZOUSA-N -1 0 335.444 3.511 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)c1ccccc1SCc1cccs1 ZINC000237018345 960837488 /nfs/dbraw/zinc/83/74/88/960837488.db2.gz HKQDVKTUQHIZQN-UHFFFAOYSA-N -1 0 349.477 3.977 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1 ZINC000237023762 960840127 /nfs/dbraw/zinc/84/01/27/960840127.db2.gz IMGATYZOOOTJHG-DJJJIMSYSA-N -1 0 335.444 3.511 20 0 EHADRM COc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1-c1ccccc1 ZINC000237169670 960881314 /nfs/dbraw/zinc/88/13/14/960881314.db2.gz SMHNDDTUWFUCMP-KRWDZBQOSA-N -1 0 341.407 3.591 20 0 EHADRM COc1ccc(C(=O)N(CCC(=O)[O-])C(C)C)cc1-c1ccccc1 ZINC000237165594 960882162 /nfs/dbraw/zinc/88/21/62/960882162.db2.gz STXQOBZDMNTMAL-UHFFFAOYSA-N -1 0 341.407 3.688 20 0 EHADRM CC[C@H](NC(=O)Nc1cncc(C(=O)[O-])c1)C(C)(C)c1ccccc1 ZINC001573810498 960889843 /nfs/dbraw/zinc/88/98/43/960889843.db2.gz LJBYIJIPYRJTFK-INIZCTEOSA-N -1 0 341.411 3.658 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000237277191 960902159 /nfs/dbraw/zinc/90/21/59/960902159.db2.gz ZTQMSZVBAIPWFQ-GOSISDBHSA-N -1 0 343.448 3.843 20 0 EHADRM Cc1cc(NC(=O)C2(C(=O)[O-])CCSCC2)ccc1C(F)(F)F ZINC001574337668 960906544 /nfs/dbraw/zinc/90/65/44/960906544.db2.gz CCLXIUOJMMIVHN-UHFFFAOYSA-N -1 0 347.358 3.550 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001573812959 960911239 /nfs/dbraw/zinc/91/12/39/960911239.db2.gz IRNJWPXXLLGZFC-MRXNPFEDSA-N -1 0 342.395 3.699 20 0 EHADRM Cc1cc(NC(=O)CO[C@H]2CCCc3ccccc32)ccc1C(=O)[O-] ZINC001574337882 960913112 /nfs/dbraw/zinc/91/31/12/960913112.db2.gz NXXJQFMFHNTVDV-SFHVURJKSA-N -1 0 339.391 3.726 20 0 EHADRM Cc1cc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cnc1C(F)F ZINC001574337886 960913870 /nfs/dbraw/zinc/91/38/70/960913870.db2.gz OGYPSFXCYVCGLE-GFCCVEGCSA-N -1 0 341.358 3.579 20 0 EHADRM C[C@H](NC(=O)CC(C)(C)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000237569235 960962923 /nfs/dbraw/zinc/96/29/23/960962923.db2.gz XWZNCWCLZVYQBB-JTQLQIEISA-N -1 0 331.334 3.774 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(C(=O)[O-])nc1)C1CC1 ZINC000237622629 960976245 /nfs/dbraw/zinc/97/62/45/960976245.db2.gz IIDXLFYHWRMNQH-NSHDSACASA-N -1 0 344.798 3.799 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N[C@@]3(C)CCCC[C@H]3C(=O)[O-])c(Cl)c2c1 ZINC001321134474 960994804 /nfs/dbraw/zinc/99/48/04/960994804.db2.gz BUTJWRVIPMWVKV-SGTLLEGYSA-N -1 0 348.830 3.893 20 0 EHADRM Cc1cccc(OCCC(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1C ZINC000237704077 961000760 /nfs/dbraw/zinc/00/07/60/961000760.db2.gz AQMGXIWBDNPCJO-UHFFFAOYSA-N -1 0 327.380 3.718 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N[C@@H]3CCC[C@@H]3C(=O)[O-])c(F)c2)cc1 ZINC000237715422 961007543 /nfs/dbraw/zinc/00/75/43/961007543.db2.gz RXVJIVMWVNXQGI-FUHWJXTLSA-N -1 0 341.382 3.784 20 0 EHADRM Cc1ccc(C(C)C)c(OCCC(=O)N2[C@H](C)CCC[C@@H]2C(=O)[O-])c1 ZINC001574357437 961008747 /nfs/dbraw/zinc/00/87/47/961008747.db2.gz QKGDNPYMAFSVOR-NVXWUHKLSA-N -1 0 347.455 3.742 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)nc2ccccc12 ZINC000237754596 961016437 /nfs/dbraw/zinc/01/64/37/961016437.db2.gz SQQGKKMPZDYQPF-AWEZNQCLSA-N -1 0 340.404 3.551 20 0 EHADRM Cc1ccc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1Cl ZINC000237754451 961016996 /nfs/dbraw/zinc/01/69/96/961016996.db2.gz KASDBYVLJHEYKN-WBMJQRKESA-N -1 0 331.799 3.840 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1cccc2ccccc21 ZINC000237767462 961020160 /nfs/dbraw/zinc/02/01/60/961020160.db2.gz URJLYULWHHKWPJ-UHFFFAOYSA-N -1 0 335.359 3.864 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccc(Oc3ccccc3)o2)C1 ZINC000237970836 961059799 /nfs/dbraw/zinc/05/97/99/961059799.db2.gz QDAXRKYGWIHSNS-AWEZNQCLSA-N -1 0 343.379 3.789 20 0 EHADRM CCCCCC[C@@H](O)CCC(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC001573840618 961067382 /nfs/dbraw/zinc/06/73/82/961067382.db2.gz ILNQPUZDZIIEFM-NVXWUHKLSA-N -1 0 347.455 3.703 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)c3noc4c3CCCC4)ccc2s1 ZINC000238009336 961073123 /nfs/dbraw/zinc/07/31/23/961073123.db2.gz FQLBXJKFLUGBAP-UHFFFAOYSA-N -1 0 342.376 3.719 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCC2(Sc3ccccc3)CCCC2)o1 ZINC000238008304 961073789 /nfs/dbraw/zinc/07/37/89/961073789.db2.gz CGPXQGWEWSSTDA-UHFFFAOYSA-N -1 0 345.420 3.813 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)o1 ZINC000238013552 961076030 /nfs/dbraw/zinc/07/60/30/961076030.db2.gz DOEPMDVTGVHGKM-NSHDSACASA-N -1 0 342.376 3.565 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2Cc3ccccc3-c3ccccc3C2)o1 ZINC000238017949 961076598 /nfs/dbraw/zinc/07/65/98/961076598.db2.gz RCTDLEJKXXSTGM-UHFFFAOYSA-N -1 0 333.343 3.801 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2csc(-c3ccccc3)n2)C1 ZINC000238022691 961079606 /nfs/dbraw/zinc/07/96/06/961079606.db2.gz RZWNZWNHVNXMDL-CYBMUJFWSA-N -1 0 344.436 3.527 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2Cc2ccccc2)o1 ZINC000238029724 961081951 /nfs/dbraw/zinc/08/19/51/961081951.db2.gz YRYHDNZNBVJBRO-HUUCEWRRSA-N -1 0 327.380 3.509 20 0 EHADRM Cc1ccc(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)c(Br)c1 ZINC001574374521 961084652 /nfs/dbraw/zinc/08/46/52/961084652.db2.gz YKAONKSHINORDC-OAHLLOKOSA-N -1 0 338.201 3.507 20 0 EHADRM O=C([O-])CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CC1CCCC1 ZINC000238125855 961114879 /nfs/dbraw/zinc/11/48/79/961114879.db2.gz JOAUPYBCTSPYAY-UHFFFAOYSA-N -1 0 343.345 3.699 20 0 EHADRM Cc1ccc(Sc2ccc(Cl)cc2)c(C(=O)NCC(=O)[O-])c1 ZINC001574382480 961117468 /nfs/dbraw/zinc/11/74/68/961117468.db2.gz OMJVKMCVGRJRLJ-UHFFFAOYSA-N -1 0 335.812 3.614 20 0 EHADRM O=C([O-])CCCCCNC(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000238137517 961121799 /nfs/dbraw/zinc/12/17/99/961121799.db2.gz NSAYSRBXTYZZMI-UHFFFAOYSA-N -1 0 337.847 3.913 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000238143713 961126405 /nfs/dbraw/zinc/12/64/05/961126405.db2.gz JZEITTLNZSGRAR-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM CC(C)(C)Oc1cccc(NC(=O)N2CCC(C)(C(=O)[O-])CC2)c1 ZINC001588734742 961127936 /nfs/dbraw/zinc/12/79/36/961127936.db2.gz XIEQEBPOAXJZNE-UHFFFAOYSA-N -1 0 334.416 3.583 20 0 EHADRM Cc1cccc(-c2ccc(C(=O)NCc3ccc(C(=O)[O-])cc3)n2C)c1 ZINC001574384945 961130013 /nfs/dbraw/zinc/13/00/13/961130013.db2.gz VGCOZLNNJVMMTI-UHFFFAOYSA-N -1 0 348.402 3.629 20 0 EHADRM Cc1ccc2sc(CN[C@@](C)(C(=O)[O-])c3ccccc3)nc2c1 ZINC001574384891 961130327 /nfs/dbraw/zinc/13/03/27/961130327.db2.gz STWROCCDJUJDKM-GOSISDBHSA-N -1 0 326.421 3.694 20 0 EHADRM Cc1ccc2c(c1)S[C@@H](C(=O)NCC1(CC(=O)[O-])CCCCC1)C2 ZINC001327797404 961179737 /nfs/dbraw/zinc/17/97/37/961179737.db2.gz OAXVEYQDICOGBN-MRXNPFEDSA-N -1 0 347.480 3.553 20 0 EHADRM CCCc1[nH]ccc1C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001573864314 961183137 /nfs/dbraw/zinc/18/31/37/961183137.db2.gz CUIOHKBGFGRWJV-UHFFFAOYSA-N -1 0 340.423 3.685 20 0 EHADRM CC(C)(C)n1nc(C(=O)Nc2sccc2C(=O)[O-])cc1C1CC1 ZINC001588748645 961204488 /nfs/dbraw/zinc/20/44/88/961204488.db2.gz LTXTYDWVWDHNMK-UHFFFAOYSA-N -1 0 333.413 3.528 20 0 EHADRM Cc1cccc(C2=CCN(C(=O)[C@]3(C(=O)[O-])CC=CCC3)CC2)c1C ZINC001574395220 961208586 /nfs/dbraw/zinc/20/85/86/961208586.db2.gz WVWIRQFPEKVIRD-NRFANRHFSA-N -1 0 339.435 3.730 20 0 EHADRM CC(C)(CC(=O)Nc1sc2c(c1C(=O)[O-])CCOC2)CC(F)F ZINC001588755999 961222194 /nfs/dbraw/zinc/22/21/94/961222194.db2.gz HSOGPFCOWUPERK-UHFFFAOYSA-N -1 0 347.383 3.529 20 0 EHADRM Cc1cccc2c1N(C(=O)c1cccc(OCC(=O)[O-])c1)CC[C@H]2C ZINC001574403446 961248657 /nfs/dbraw/zinc/24/86/57/961248657.db2.gz TTXQNGWKKDHFOA-CYBMUJFWSA-N -1 0 339.391 3.612 20 0 EHADRM CC(C)(CCNC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C)c1ccccc1 ZINC001588767484 961249067 /nfs/dbraw/zinc/24/90/67/961249067.db2.gz IQQNTCPWOYJOIB-UHFFFAOYSA-N -1 0 331.456 3.608 20 0 EHADRM CC(C)(CCNC(=O)/C=C\c1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC001588770300 961260113 /nfs/dbraw/zinc/26/01/13/961260113.db2.gz OULPVNJWEQEVBG-KHPPLWFESA-N -1 0 345.439 3.638 20 0 EHADRM CC(C)(CCNC(=O)Nc1ccc2c(c1)C=CC1(CCC1)O2)C(=O)[O-] ZINC001588775193 961276330 /nfs/dbraw/zinc/27/63/30/961276330.db2.gz SZYKMWDDRBNQDR-UHFFFAOYSA-N -1 0 344.411 3.637 20 0 EHADRM CC(C)(O)c1cccc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC001588794804 961370261 /nfs/dbraw/zinc/37/02/61/961370261.db2.gz NTRPRRDNCHGFBW-UHFFFAOYSA-N -1 0 342.395 3.575 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CCC[C@H]1c1ccccc1Cl ZINC000261692295 961386963 /nfs/dbraw/zinc/38/69/63/961386963.db2.gz NVQJFJQEDOEWAZ-KRWDZBQOSA-N -1 0 343.810 3.944 20 0 EHADRM CCCOc1cccc(C(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC000261698166 961388250 /nfs/dbraw/zinc/38/82/50/961388250.db2.gz OLYFWKLJALUYFY-UHFFFAOYSA-N -1 0 327.380 3.745 20 0 EHADRM COc1ccc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(C(=O)[O-])c1 ZINC000261719967 961389406 /nfs/dbraw/zinc/38/94/06/961389406.db2.gz QOICOLJMJLZWSR-NXEZZACHSA-N -1 0 345.317 3.701 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC(c3cccc(Cl)c3)CC2)o1 ZINC001331894806 961404270 /nfs/dbraw/zinc/40/42/70/961404270.db2.gz HJDVVLVPDQXUQQ-UHFFFAOYSA-N -1 0 333.771 3.651 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)N[C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC001588803443 961446826 /nfs/dbraw/zinc/44/68/26/961446826.db2.gz AAFZXKSBIDDSBL-CABCVRRESA-N -1 0 348.830 3.672 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Cc2ccccc2C(=O)[O-])o1 ZINC000262099121 961457129 /nfs/dbraw/zinc/45/71/29/961457129.db2.gz DHSILSXCGDCTPS-DYVFJYSZSA-N -1 0 341.407 3.829 20 0 EHADRM Cc1cccc(OCCC(=O)Nc2cccc(CCC(=O)[O-])c2)c1C ZINC000262114137 961471301 /nfs/dbraw/zinc/47/13/01/961471301.db2.gz BEQBOGYZKLQVDZ-UHFFFAOYSA-N -1 0 341.407 3.728 20 0 EHADRM O=C([O-])[C@@H](CC1CC1)NC(=O)c1cc(-c2ccccc2)ccc1Cl ZINC000262140676 961493149 /nfs/dbraw/zinc/49/31/49/961493149.db2.gz AEFABNGGMTWTKK-QGZVFWFLSA-N -1 0 343.810 3.990 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(OCc2ccccc2F)cc1 ZINC001588809117 961507238 /nfs/dbraw/zinc/50/72/38/961507238.db2.gz ATOOIJNIERJLAF-KRWDZBQOSA-N -1 0 345.370 3.700 20 0 EHADRM Cc1ccc(CCC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)c(C)c1 ZINC000262173475 961522312 /nfs/dbraw/zinc/52/23/12/961522312.db2.gz LPIOQFSEPPCTBL-UHFFFAOYSA-N -1 0 337.419 3.519 20 0 EHADRM CCSCc1ccc(C(=O)NCCc2cccc(C(=O)[O-])c2)cc1 ZINC000262219369 961563456 /nfs/dbraw/zinc/56/34/56/961563456.db2.gz ZNOUVMIVZRDJJN-UHFFFAOYSA-N -1 0 343.448 3.610 20 0 EHADRM CC(C)[C@H](CCc1ccccc1)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001588815385 961568812 /nfs/dbraw/zinc/56/88/12/961568812.db2.gz OCXJEZRXEFPNCC-MSOLQXFVSA-N -1 0 331.456 3.605 20 0 EHADRM C[C@]1(NC(=O)CCc2ccccc2C(=O)[O-])CCCc2ccccc21 ZINC000262231622 961575148 /nfs/dbraw/zinc/57/51/48/961575148.db2.gz SMEOTRFAOBJWTQ-NRFANRHFSA-N -1 0 337.419 3.685 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)NCC1(c2ccccc2)CCCC1 ZINC000262231788 961576561 /nfs/dbraw/zinc/57/65/61/961576561.db2.gz SOFMYEKMRUJMCI-UHFFFAOYSA-N -1 0 337.419 3.556 20 0 EHADRM C[C@H]1c2ccsc2CCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000262234756 961577662 /nfs/dbraw/zinc/57/76/62/961577662.db2.gz STFAOJKGWJCPBC-LBPRGKRZSA-N -1 0 329.421 3.525 20 0 EHADRM CCS[C@@H]1CC[C@H](N(C)C(=O)C2(C(=O)[O-])CCCCCC2)C1 ZINC001573932008 961584106 /nfs/dbraw/zinc/58/41/06/961584106.db2.gz KZRIMQZKQSDBCO-UONOGXRCSA-N -1 0 327.490 3.544 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)CCc2ccc3ccccc3c2)C1 ZINC000262268934 961605544 /nfs/dbraw/zinc/60/55/44/961605544.db2.gz WAERQUBHRCRPNQ-KRWDZBQOSA-N -1 0 339.435 3.876 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N(C2CC2)[C@H]2CCCc3ccccc32)c1 ZINC000262275261 961610245 /nfs/dbraw/zinc/61/02/45/961610245.db2.gz YSHLQXQDEJKFAF-FQEVSTJZSA-N -1 0 349.430 3.996 20 0 EHADRM C[C@@H](CCOc1ccccc1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000262387213 961688241 /nfs/dbraw/zinc/68/82/41/961688241.db2.gz LOFQJMKSFOGIES-HNNXBMFYSA-N -1 0 341.407 3.748 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)/C=C\c1cc(Cl)cc(Cl)c1 ZINC001333549390 961717062 /nfs/dbraw/zinc/71/70/62/961717062.db2.gz BGWFNPQHTSQSKJ-XVWMLYKFSA-N -1 0 330.211 3.766 20 0 EHADRM CO[C@H]1CCC[C@H](CC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC001333945793 961734838 /nfs/dbraw/zinc/73/48/38/961734838.db2.gz RDXMRFSHCHXICR-JQWIXIFHSA-N -1 0 325.792 3.572 20 0 EHADRM CC[C@](C)(NC(=O)CC(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000262489490 961748861 /nfs/dbraw/zinc/74/88/61/961748861.db2.gz WHFIHSXBMRWCDR-FQEVSTJZSA-N -1 0 325.408 3.578 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C1(c2ccccc2F)CC1 ZINC000262543838 961765733 /nfs/dbraw/zinc/76/57/33/961765733.db2.gz ROWRNYXNKIVMEP-UHFFFAOYSA-N -1 0 327.355 3.811 20 0 EHADRM Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000262606811 961785907 /nfs/dbraw/zinc/78/59/07/961785907.db2.gz AMAQBWCYZOVAOR-LLVKDONJSA-N -1 0 344.411 3.786 20 0 EHADRM Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC[C@H]3C(=O)[O-])cn2)c1C ZINC000262653276 961795750 /nfs/dbraw/zinc/79/57/50/961795750.db2.gz KYMSBEMFRAQLHP-LSDHHAIUSA-N -1 0 340.379 3.540 20 0 EHADRM Cc1ccc(Oc2ccccc2CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])cc1 ZINC000262658937 961798345 /nfs/dbraw/zinc/79/83/45/961798345.db2.gz MJKLEYJSPOJKLD-DLBZAZTESA-N -1 0 339.391 3.514 20 0 EHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1 ZINC001588841597 961806881 /nfs/dbraw/zinc/80/68/81/961806881.db2.gz MNGOZDPOSKDXFI-RBGFHDKUSA-N -1 0 338.492 3.636 20 0 EHADRM CC(C)(Nc1ccccc1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001334780462 961828263 /nfs/dbraw/zinc/82/82/63/961828263.db2.gz WLMOCHPRZOZXBL-UHFFFAOYSA-N -1 0 326.396 3.533 20 0 EHADRM CCC(CC)n1nc(C(=O)Nc2cccc(CCC(=O)[O-])c2)cc1C ZINC000262724151 961828899 /nfs/dbraw/zinc/82/88/99/961828899.db2.gz GAYHRCKUYQRBDR-UHFFFAOYSA-N -1 0 343.427 3.822 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)NC(c2cccs2)c2cccs2)CC1 ZINC000262728903 961832300 /nfs/dbraw/zinc/83/23/00/961832300.db2.gz UBVYBJRQCWXNHP-HAQNSBGRSA-N -1 0 349.477 3.906 20 0 EHADRM CC(C)[C@H]1CN(C(=O)Nc2cncc(C(=O)[O-])c2)c2ccccc21 ZINC001588843048 961834622 /nfs/dbraw/zinc/83/46/22/961834622.db2.gz XSGYEDDHXMEZJC-OAHLLOKOSA-N -1 0 325.368 3.572 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N(C2CC2)[C@H]2CCCc3ccccc32)CC1 ZINC000262740028 961840458 /nfs/dbraw/zinc/84/04/58/961840458.db2.gz WFRDAMBFPVJLDZ-BXWFABGCSA-N -1 0 341.451 3.946 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262744232 961843761 /nfs/dbraw/zinc/84/37/61/961843761.db2.gz WVYGTCSWWBYUFB-XYPYZODXSA-N -1 0 329.318 3.843 20 0 EHADRM C[C@H]1CCN(C(=O)c2cccc(OCC(=O)[O-])c2)CC12CCCCC2 ZINC000262799998 961873911 /nfs/dbraw/zinc/87/39/11/961873911.db2.gz ODWFOMARUUGTAF-HNNXBMFYSA-N -1 0 345.439 3.583 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)CC1CC(c2ccccc2)C1 ZINC000262827299 961892692 /nfs/dbraw/zinc/89/26/92/961892692.db2.gz AZAHQZYEYVMIJI-UHFFFAOYSA-N -1 0 339.391 3.916 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c(C)c1 ZINC000262844109 961910582 /nfs/dbraw/zinc/91/05/82/961910582.db2.gz SMJBGUAJNDADOG-CYBMUJFWSA-N -1 0 327.380 3.519 20 0 EHADRM C[C@H](C(=O)N1CCc2ccc(C(=O)[O-])cc2C1)c1ccc(Cl)s1 ZINC000262854210 961919698 /nfs/dbraw/zinc/91/96/98/961919698.db2.gz CGIWINUJUBEKHS-JTQLQIEISA-N -1 0 349.839 3.788 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000262877405 961949125 /nfs/dbraw/zinc/94/91/25/961949125.db2.gz VPOVMVDNVMYJBB-ZXYWRSMDSA-N -1 0 335.419 3.544 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1cccc(OC(C)(C)C)c1)C(=O)[O-] ZINC001588853263 961957283 /nfs/dbraw/zinc/95/72/83/961957283.db2.gz VQTDFEYZZHYXNG-ZDUSSCGKSA-N -1 0 336.432 3.732 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)CC(C2CC2)C2CC2)cc1Cl ZINC001337294209 961982265 /nfs/dbraw/zinc/98/22/65/961982265.db2.gz QQNZBGHTTAQYRB-UHFFFAOYSA-N -1 0 337.803 3.568 20 0 EHADRM C[C@H](NC(=O)NCCCC(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000262958741 962044698 /nfs/dbraw/zinc/04/46/98/962044698.db2.gz IUWHGCFHJGHPOB-AWEZNQCLSA-N -1 0 326.396 3.579 20 0 EHADRM CNc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001574038340 962068433 /nfs/dbraw/zinc/06/84/33/962068433.db2.gz REOSMFWSGWYTGU-UHFFFAOYSA-N -1 0 338.285 3.698 20 0 EHADRM CC(C)c1ccc(C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000262984019 962075374 /nfs/dbraw/zinc/07/53/74/962075374.db2.gz UQSZOMPTHCWRKH-KRWDZBQOSA-N -1 0 329.371 3.547 20 0 EHADRM CC(C)CN(CCc1ccccc1)C(=O)c1cccc(C(=O)[O-])c1 ZINC001588871207 962083253 /nfs/dbraw/zinc/08/32/53/962083253.db2.gz PTQLUQBKRJVOEY-UHFFFAOYSA-N -1 0 325.408 3.726 20 0 EHADRM CC(C)CN(C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)C1CCCC1 ZINC001588872140 962092508 /nfs/dbraw/zinc/09/25/08/962092508.db2.gz FQUSTCQGFDCMBM-HXUWFJFHSA-N -1 0 346.471 3.639 20 0 EHADRM CN(C(=O)NCCCCC(=O)[O-])[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001341434650 962138914 /nfs/dbraw/zinc/13/89/14/962138914.db2.gz WERRRRGPHGDHFO-IAGOWNOFSA-N -1 0 332.444 3.609 20 0 EHADRM CC(C)OCCCC(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000263044148 962171264 /nfs/dbraw/zinc/17/12/64/962171264.db2.gz NLPYPVFSONBWMT-SFHVURJKSA-N -1 0 343.423 3.677 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@H](C)CSc1ccccc1)CC(=O)[O-] ZINC001588887478 962186335 /nfs/dbraw/zinc/18/63/35/962186335.db2.gz JCLOIFJDZZAYCV-CABCVRRESA-N -1 0 337.485 3.668 20 0 EHADRM CC[C@H](C(=O)NC[C@](CC)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000263060873 962199723 /nfs/dbraw/zinc/19/97/23/962199723.db2.gz RZRMZOFXCFFPFK-RXVVDRJESA-N -1 0 339.435 3.729 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)C1 ZINC000263066545 962207384 /nfs/dbraw/zinc/20/73/84/962207384.db2.gz SOKZXUODWYHNGS-LQWHRVPQSA-N -1 0 337.419 3.657 20 0 EHADRM Cc1ccc(C(C)(C)C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1 ZINC000263083305 962228710 /nfs/dbraw/zinc/22/87/10/962228710.db2.gz BMXZXFHIYWHMBJ-UHFFFAOYSA-N -1 0 329.371 3.678 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C2CCCCC2)C[C@H]1c1ccc(Cl)cc1 ZINC000263087535 962234615 /nfs/dbraw/zinc/23/46/15/962234615.db2.gz MMUYNWFOZVBJQZ-JKSUJKDBSA-N -1 0 335.831 3.547 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2[nH]c3ccccc3c2Cl)CCCC1 ZINC001345145326 962245914 /nfs/dbraw/zinc/24/59/14/962245914.db2.gz OCQYEBIDJZYHSB-UHFFFAOYSA-N -1 0 334.803 3.586 20 0 EHADRM CC(C)C[C@H](NC(=O)Nc1ccccc1OC1CCCC1)C(=O)[O-] ZINC001588900804 962253610 /nfs/dbraw/zinc/25/36/10/962253610.db2.gz CBKDDDXQDKADTC-HNNXBMFYSA-N -1 0 334.416 3.629 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCCC(C)(C)C1)c1ccc(OCC(=O)[O-])cc1 ZINC000263125481 962279571 /nfs/dbraw/zinc/27/95/71/962279571.db2.gz SMBSBPRMNLPHPP-DZGCQCFKSA-N -1 0 333.428 3.544 20 0 EHADRM CC(C)(C)Sc1c(F)cc(NC(=O)NCCCC(=O)[O-])cc1F ZINC000263143374 962298332 /nfs/dbraw/zinc/29/83/32/962298332.db2.gz OMCQMHQPBXEQSX-UHFFFAOYSA-N -1 0 346.399 3.842 20 0 EHADRM COCc1cc(NC(=O)c2ccccc2OC(C)C)cc(C(=O)[O-])c1 ZINC000263147722 962301040 /nfs/dbraw/zinc/30/10/40/962301040.db2.gz WKDOFKXNKKLTIF-UHFFFAOYSA-N -1 0 343.379 3.571 20 0 EHADRM CC(C)(CCNC(=O)CCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000263152849 962305355 /nfs/dbraw/zinc/30/53/55/962305355.db2.gz XMHNSPSUXGBMMB-UHFFFAOYSA-N -1 0 332.227 3.543 20 0 EHADRM Cc1cc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)c(C)n1C1CCCCC1 ZINC000263156743 962308936 /nfs/dbraw/zinc/30/89/36/962308936.db2.gz VEQKWSLKJOELOC-XJKSGUPXSA-N -1 0 332.444 3.545 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)c1 ZINC000263168744 962321259 /nfs/dbraw/zinc/32/12/59/962321259.db2.gz QXCBMTYKUURHKV-IAGOWNOFSA-N -1 0 327.355 3.585 20 0 EHADRM O=C([O-])C1(CCSc2n[nH]c(-c3ccc4c(c3)CCC4)n2)CCC1 ZINC001574638281 962323810 /nfs/dbraw/zinc/32/38/10/962323810.db2.gz HXGXBNCURROMRT-UHFFFAOYSA-N -1 0 343.452 3.698 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000263173632 962327104 /nfs/dbraw/zinc/32/71/04/962327104.db2.gz GHUWBLVXAMKPMA-KRWDZBQOSA-N -1 0 335.400 3.676 20 0 EHADRM Cc1cc(C)c(OCC(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c(C)c1 ZINC000263175648 962329037 /nfs/dbraw/zinc/32/90/37/962329037.db2.gz GNNQBOJUMSBVQP-OAHLLOKOSA-N -1 0 341.407 3.817 20 0 EHADRM C[C@H](CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C)c1ccccc1C(F)(F)F ZINC000263186431 962342056 /nfs/dbraw/zinc/34/20/56/962342056.db2.gz MCXSWYRZEFWUFI-MDZLAQPJSA-N -1 0 343.345 3.521 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)CCCc1cccc(C(F)(F)F)c1 ZINC000263205208 962361239 /nfs/dbraw/zinc/36/12/39/962361239.db2.gz VSLWCFOMGMDWHX-UHFFFAOYSA-N -1 0 345.361 3.788 20 0 EHADRM C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263234959 962382609 /nfs/dbraw/zinc/38/26/09/962382609.db2.gz MXRZZFGMFUTHPZ-VDINOMKWSA-N -1 0 344.455 3.643 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](CCCc3ccccc3)C2)C1 ZINC000263292273 962431800 /nfs/dbraw/zinc/43/18/00/962431800.db2.gz MIXXIOMBAMHFJF-CEXWTWQISA-N -1 0 343.467 3.749 20 0 EHADRM COc1ccccc1C1(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)CC1 ZINC000263292296 962432134 /nfs/dbraw/zinc/43/21/34/962432134.db2.gz MJQLICQVQBAVPD-ZDUSSCGKSA-N -1 0 339.391 3.554 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)c1 ZINC000263292972 962432537 /nfs/dbraw/zinc/43/25/37/962432537.db2.gz MLJVKUHDRWFQMK-FSBGKCOPSA-N -1 0 345.345 3.895 20 0 EHADRM C[C@@H](CC(=O)N(C)C(C)(C)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001347929769 962434912 /nfs/dbraw/zinc/43/49/12/962434912.db2.gz ZDFITKNTTYGGMW-NSHDSACASA-N -1 0 345.361 3.911 20 0 EHADRM O=C([O-])CCCCC(=O)N(CCc1cccc(F)c1)C1CCCC1 ZINC000263296895 962438922 /nfs/dbraw/zinc/43/89/22/962438922.db2.gz MOELFCQFDNBQLO-UHFFFAOYSA-N -1 0 335.419 3.784 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)N1CCC(C(=O)[O-])CC1)CCC2 ZINC000263308220 962449585 /nfs/dbraw/zinc/44/95/85/962449585.db2.gz YBZPFACWFALNRU-GOSISDBHSA-N -1 0 344.455 3.694 20 0 EHADRM Cc1c(C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)oc2c1c(C)ccc2C ZINC000263319566 962461102 /nfs/dbraw/zinc/46/11/02/962461102.db2.gz NFMPYZPRKROZGP-LJQANCHMSA-N -1 0 329.396 3.685 20 0 EHADRM CC[C@](C)(NC(=O)c1cc(C)cc(C(=O)[O-])c1)c1nc(C)cs1 ZINC000263327795 962472893 /nfs/dbraw/zinc/47/28/93/962472893.db2.gz PDGWJZWDLHLOFQ-KRWDZBQOSA-N -1 0 332.425 3.513 20 0 EHADRM O=C([O-])[C@H]1CN(Cc2cnc3c(F)cccc3c2)Cc2ccccc21 ZINC001574660783 962486489 /nfs/dbraw/zinc/48/64/89/962486489.db2.gz ATSBBQXSVXYLPM-KRWDZBQOSA-N -1 0 336.366 3.558 20 0 EHADRM CC[C@@H](C)n1nccc1C(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC001349954187 962504469 /nfs/dbraw/zinc/50/44/69/962504469.db2.gz OBNZZYQFLRJONF-SNVBAGLBSA-N -1 0 333.413 3.527 20 0 EHADRM Cc1ccccc1OCCCC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000263355452 962509783 /nfs/dbraw/zinc/50/97/83/962509783.db2.gz WUJIYWUDNJPICF-OAHLLOKOSA-N -1 0 341.407 3.981 20 0 EHADRM Cc1ccccc1OCCCC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000263355451 962510121 /nfs/dbraw/zinc/51/01/21/962510121.db2.gz WUJIYWUDNJPICF-HNNXBMFYSA-N -1 0 341.407 3.981 20 0 EHADRM CC[C@@H]1c2ccsc2CCN1C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000263357446 962514061 /nfs/dbraw/zinc/51/40/61/962514061.db2.gz SFGLOWCIHVAKJK-OAHLLOKOSA-N -1 0 329.421 3.525 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2csc(C(C)(C)C)n2)cc1 ZINC000263361094 962517334 /nfs/dbraw/zinc/51/73/34/962517334.db2.gz YLQMUVNOTCHFNR-JTQLQIEISA-N -1 0 332.425 3.881 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)C1 ZINC000263363651 962521559 /nfs/dbraw/zinc/52/15/59/962521559.db2.gz ZCXDBLPFVQKUHH-HDMKZQKVSA-N -1 0 327.424 3.556 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)Nc2ccc(CC(F)(F)F)cc2)co1 ZINC001574668310 962531445 /nfs/dbraw/zinc/53/14/45/962531445.db2.gz YMXAWFVJBVZPPL-AATRIKPKSA-N -1 0 339.269 3.735 20 0 EHADRM O=C(/C=C\c1nccs1)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001350142247 962535410 /nfs/dbraw/zinc/53/54/10/962535410.db2.gz DCYMAVDDBSEJCZ-ARJAWSKDSA-N -1 0 330.390 3.708 20 0 EHADRM CC[C@H](C)NC(=O)c1ccc(NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000263378147 962535567 /nfs/dbraw/zinc/53/55/67/962535567.db2.gz BAFCWBPXPYOWDY-ZDUSSCGKSA-N -1 0 326.396 3.525 20 0 EHADRM CCc1ccc([C@@H](NC(=O)c2c(C)coc2CC(=O)[O-])C(C)C)cc1 ZINC000263395827 962557492 /nfs/dbraw/zinc/55/74/92/962557492.db2.gz FLDGTZJNWDJPKN-IBGZPJMESA-N -1 0 343.423 3.905 20 0 EHADRM O=C([O-])c1cccc(CNc2ccc(F)cc2OC2CCOCC2)c1 ZINC000263408415 962573657 /nfs/dbraw/zinc/57/36/57/962573657.db2.gz KOPQLMJIDCLFTR-UHFFFAOYSA-N -1 0 345.370 3.694 20 0 EHADRM CCCOc1ccc(C[NH+]2CCC(C(=O)[O-])CC2)c(OCCC)c1 ZINC000263412157 962578186 /nfs/dbraw/zinc/57/81/86/962578186.db2.gz LTYIUNLIOQDDEC-UHFFFAOYSA-N -1 0 335.444 3.561 20 0 EHADRM O=C([O-])c1cccc(CN(CCC(F)(F)F)CC(F)(F)F)c1 ZINC000263447334 962631530 /nfs/dbraw/zinc/63/15/30/962631530.db2.gz YGTYKQNWJYEKAU-UHFFFAOYSA-N -1 0 329.240 3.702 20 0 EHADRM CC(C)c1cc(C(=O)Nc2ccnc(C(=O)[O-])c2)c2ccccc2n1 ZINC001588964171 962644396 /nfs/dbraw/zinc/64/43/96/962644396.db2.gz VFNYJGBPJMVNPW-UHFFFAOYSA-N -1 0 335.363 3.704 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N(CC1CCC1)c1ccccc1 ZINC000263460220 962648235 /nfs/dbraw/zinc/64/82/35/962648235.db2.gz VMQKIXICPJYTFV-UHFFFAOYSA-N -1 0 327.380 3.662 20 0 EHADRM CC(C)c1ccc([C@@H]2CCCN2C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cc1 ZINC001588967088 962653409 /nfs/dbraw/zinc/65/34/09/962653409.db2.gz ZNEKTIISLONYEK-ULQDDVLXSA-N -1 0 330.428 3.520 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001574693612 962661022 /nfs/dbraw/zinc/66/10/22/962661022.db2.gz OHLJKGINSPHBEY-JKSUJKDBSA-N -1 0 335.831 3.547 20 0 EHADRM Cc1cccc(NC(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c1C ZINC000263509649 962691806 /nfs/dbraw/zinc/69/18/06/962691806.db2.gz XCUWZWDIAKEIEF-KRWDZBQOSA-N -1 0 340.423 3.901 20 0 EHADRM O=C([O-])CCc1cccc(NCCCc2ccc3c(c2)CCO3)c1 ZINC000263510742 962692112 /nfs/dbraw/zinc/69/21/12/962692112.db2.gz NHCZMFDJWFXSMC-UHFFFAOYSA-N -1 0 325.408 3.683 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])cc1Cl ZINC000263523495 962703007 /nfs/dbraw/zinc/70/30/07/962703007.db2.gz IMUKDIURIYNNGJ-NSHDSACASA-N -1 0 337.725 3.599 20 0 EHADRM O=C([O-])CCc1cccc(NCc2ccc3c(c2)OCCCCO3)c1 ZINC000263525763 962708402 /nfs/dbraw/zinc/70/84/02/962708402.db2.gz TXMKAHQRJVDXFI-UHFFFAOYSA-N -1 0 341.407 3.867 20 0 EHADRM CC(C)n1c(NC(=O)c2coc(/C=C/C(=O)[O-])c2)nc2ccccc21 ZINC001588980512 962712485 /nfs/dbraw/zinc/71/24/85/962712485.db2.gz CLADYCUDCFJOCO-BQYQJAHWSA-N -1 0 339.351 3.560 20 0 EHADRM CCc1occc1C(=O)N[C@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC000263535635 962715387 /nfs/dbraw/zinc/71/53/87/962715387.db2.gz OKXYURFJSMIPMS-CQSZACIVSA-N -1 0 333.409 3.510 20 0 EHADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1cccc(C(F)F)c1 ZINC000263558192 962727589 /nfs/dbraw/zinc/72/75/89/962727589.db2.gz ZXBDDJXATNKCPE-MRXNPFEDSA-N -1 0 347.361 3.830 20 0 EHADRM CC(C)(C)c1ccc(OCCCC(=O)NCCCCC(=O)[O-])cc1 ZINC000271394925 962778547 /nfs/dbraw/zinc/77/85/47/962778547.db2.gz SOEXRPYKTQKVAL-UHFFFAOYSA-N -1 0 335.444 3.514 20 0 EHADRM Cn1c(C(=O)[O-])ccc1[C@@H]1CCCCN1C(=O)C=C(C1CC1)C1CC1 ZINC001526766683 962909625 /nfs/dbraw/zinc/90/96/25/962909625.db2.gz SHXUWUQRQVTMOK-KRWDZBQOSA-N -1 0 342.439 3.523 20 0 EHADRM Cc1csc(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])c1Cl ZINC000313911254 963689868 /nfs/dbraw/zinc/68/98/68/963689868.db2.gz RCNQTDWTRYFDJV-NSHDSACASA-N -1 0 329.849 3.863 20 0 EHADRM COc1ccc(NC(=O)CC2(CC(=O)[O-])CCCC2)cc1Cl ZINC000314955404 963834680 /nfs/dbraw/zinc/83/46/80/963834680.db2.gz TVYCTQYMQVHLLX-UHFFFAOYSA-N -1 0 325.792 3.712 20 0 EHADRM Cc1cc(NC(=O)c2ccc(OC(F)F)cc2)sc1C(=O)[O-] ZINC000315219447 963866286 /nfs/dbraw/zinc/86/62/86/963866286.db2.gz NWUQMEPVKKPRRB-UHFFFAOYSA-N -1 0 327.308 3.608 20 0 EHADRM CC[C@H](CNC(=O)Nc1ccc(C(F)(F)F)cc1Cl)C(=O)[O-] ZINC000315926613 963954610 /nfs/dbraw/zinc/95/46/10/963954610.db2.gz QLHRYCPTMUHEHN-SSDOTTSWSA-N -1 0 338.713 3.591 20 0 EHADRM COc1ccc(NC(=O)c2cccc(Cl)c2Cl)c(C(=O)[O-])c1 ZINC000317049569 964091686 /nfs/dbraw/zinc/09/16/86/964091686.db2.gz WQETXYXESRIWPI-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM O=C([O-])CCCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000035318549 967502798 /nfs/dbraw/zinc/50/27/98/967502798.db2.gz OEPQJZIHQFPTPK-UHFFFAOYSA-N -1 0 349.390 3.733 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1Cc1ccc(Br)cc1Cl ZINC000158464849 967651560 /nfs/dbraw/zinc/65/15/60/967651560.db2.gz ICROCFFQSUBFCI-LBPRGKRZSA-N -1 0 332.625 3.542 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(CCc2ccccc2)c2ccccc2)nc1 ZINC000191130190 967683049 /nfs/dbraw/zinc/68/30/49/967683049.db2.gz WFFXDZIKQQGJKO-UHFFFAOYSA-N -1 0 346.386 3.669 20 0 EHADRM CC[C@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)[O-] ZINC000225649233 967699230 /nfs/dbraw/zinc/69/92/30/967699230.db2.gz BZMUEJLSTLPIHF-AWEZNQCLSA-N -1 0 343.408 3.542 20 0 EHADRM CC(C)[C@H](NC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000236727872 967779449 /nfs/dbraw/zinc/77/94/49/967779449.db2.gz XWSUTCOKIZPAAR-YIALFULDSA-N -1 0 349.736 3.597 20 0 EHADRM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCCCCCC(=O)[O-] ZINC000237490682 967782439 /nfs/dbraw/zinc/78/24/39/967782439.db2.gz OWMZRLFKVJTNQW-GFCCVEGCSA-N -1 0 345.361 3.645 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCC(c2cccc3ccccc32)CC1 ZINC000262152371 967812082 /nfs/dbraw/zinc/81/20/82/967812082.db2.gz PIEAWTWSTAXRER-RTBURBONSA-N -1 0 337.419 3.657 20 0 EHADRM O=C([O-])CCCNC(=O)N[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000263344368 967876786 /nfs/dbraw/zinc/87/67/86/967876786.db2.gz GGSFQAMMUXPDEX-CQSZACIVSA-N -1 0 345.226 3.609 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccccc2SC(F)F)CC[C@H]1C(=O)[O-] ZINC000324267751 968029741 /nfs/dbraw/zinc/02/97/41/968029741.db2.gz KQHOYBLYGKEBNC-NXEZZACHSA-N -1 0 344.383 3.576 20 0 EHADRM O=C([O-])[C@H]1CCN(Cc2ccn(C3CCCC3)n2)c2ccccc21 ZINC000325889571 968040934 /nfs/dbraw/zinc/04/09/34/968040934.db2.gz RIUBXYYHWSUNDN-KRWDZBQOSA-N -1 0 325.412 3.577 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)N2CC[C@@H](c3ccccc3)C2)c1 ZINC000392742484 968203725 /nfs/dbraw/zinc/20/37/25/968203725.db2.gz ZDBCNDYUPSSKOH-QGZVFWFLSA-N -1 0 338.407 3.725 20 0 EHADRM CCOc1ccc(NC(=O)NCCCCCC(=O)[O-])cc1Cl ZINC000417743125 968344823 /nfs/dbraw/zinc/34/48/23/968344823.db2.gz WRFYOSFMBKXNSD-UHFFFAOYSA-N -1 0 328.796 3.505 20 0 EHADRM CC(C)(CCNC(=O)Nc1ccc2c3c(cccc31)CC2)C(=O)[O-] ZINC000424473664 968369395 /nfs/dbraw/zinc/36/93/95/968369395.db2.gz QOYNMTLMANCTMA-UHFFFAOYSA-N -1 0 326.396 3.561 20 0 EHADRM CC(C)(C)c1ccc(CCNC(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC000537473019 968403285 /nfs/dbraw/zinc/40/32/85/968403285.db2.gz DNRFYRBLFYADFE-UHFFFAOYSA-N -1 0 339.435 3.584 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)N1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 ZINC000566071522 968426144 /nfs/dbraw/zinc/42/61/44/968426144.db2.gz PBAPIKSNCOTWLJ-YVEFUNNKSA-N -1 0 343.810 3.687 20 0 EHADRM Cc1ccc(Cc2ccccn2)cc1NC(=O)C1(CC(=O)[O-])CCC1 ZINC000576108123 968459263 /nfs/dbraw/zinc/45/92/63/968459263.db2.gz NGALUVVASNSEBG-UHFFFAOYSA-N -1 0 338.407 3.564 20 0 EHADRM CC(C)(C)c1ccc2cc(C(=O)N(CC(=O)[O-])C3CCC3)[nH]c2c1 ZINC000621580545 968512386 /nfs/dbraw/zinc/51/23/86/968512386.db2.gz HNBOTSBFCMFMDO-UHFFFAOYSA-N -1 0 328.412 3.545 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653535867 968672410 /nfs/dbraw/zinc/67/24/10/968672410.db2.gz GUHJJCGKYIDCNW-MELADBBJSA-N -1 0 348.443 3.731 20 0 EHADRM C[C@@H](CNC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000655888914 968705673 /nfs/dbraw/zinc/70/56/73/968705673.db2.gz PEFYGQCKGUQVAU-XJKSGUPXSA-N -1 0 332.444 3.551 20 0 EHADRM CC(C)[C@@H](CNC(=O)N1C[C@H](C)CC[C@@H]1c1ccccc1)C(=O)[O-] ZINC000655897021 968708969 /nfs/dbraw/zinc/70/89/69/968708969.db2.gz QJBWSANGBLHTDK-DJIMGWMZSA-N -1 0 332.444 3.526 20 0 EHADRM C[C@H](NC(=O)N1C[C@@H](C)[C@H]1c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655905265 968712882 /nfs/dbraw/zinc/71/28/82/968712882.db2.gz RSJMCCQFUKGDFY-XLTGGDBASA-N -1 0 344.455 3.524 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cc(Cl)cc3ccccc32)C1 ZINC000659764662 968747565 /nfs/dbraw/zinc/74/75/65/968747565.db2.gz MPZWECWSKWMYOO-DGCLKSJQSA-N -1 0 331.799 3.676 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)/C=C\SCc2ccco2)c1 ZINC000786620160 969173818 /nfs/dbraw/zinc/17/38/18/969173818.db2.gz WRTVLJQODMRPEH-NTMALXAHSA-N -1 0 331.393 3.682 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000844251016 969245593 /nfs/dbraw/zinc/24/55/93/969245593.db2.gz AAARWMZTLWVKEC-OAHLLOKOSA-N -1 0 338.835 3.626 20 0 EHADRM Cc1nc(NC(=O)NC[C@@H](C(=O)[O-])C(C)C)sc1-c1ccccc1 ZINC000846793780 969259132 /nfs/dbraw/zinc/25/91/32/969259132.db2.gz ODRRGYZNBDXCHL-CYBMUJFWSA-N -1 0 347.440 3.597 20 0 EHADRM C/C(=C\C(=O)N(CC(=O)[O-])C1CCC1)c1ccc(C(F)(F)F)cc1 ZINC000848455109 969262659 /nfs/dbraw/zinc/26/26/59/969262659.db2.gz HWBGYRPXLJJGAN-PKNBQFBNSA-N -1 0 341.329 3.574 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)Nc2ccc([C@H](F)C(F)(F)F)cc2)C1 ZINC000887394220 969411197 /nfs/dbraw/zinc/41/11/97/969411197.db2.gz IMDACQRDYZWZND-SMDDNHRTSA-N -1 0 348.296 3.588 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2coc(/C=C\C(=O)[O-])c2)C1 ZINC000901600092 969446130 /nfs/dbraw/zinc/44/61/30/969446130.db2.gz VUAADGNJVHLHNN-PRQMKSPXSA-N -1 0 339.391 3.704 20 0 EHADRM Cc1csc(Sc2ccc(NC(=O)[C@@H]3CC[C@H]3C(=O)[O-])cc2)n1 ZINC000901787440 969474883 /nfs/dbraw/zinc/47/48/83/969474883.db2.gz VUHYADXQWAHLNO-CHWSQXEVSA-N -1 0 348.449 3.652 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2cscc2C(F)F)Cc2ccccc21 ZINC000902070088 969514274 /nfs/dbraw/zinc/51/42/74/969514274.db2.gz QZHCYAJYBAOTAO-LLVKDONJSA-N -1 0 337.347 3.510 20 0 EHADRM C[C@H](CC(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21)C(F)(F)F ZINC000902819341 969568313 /nfs/dbraw/zinc/56/83/13/969568313.db2.gz GUDWSANSJZSINO-NEPJUHHUSA-N -1 0 343.345 3.645 20 0 EHADRM C[C@@H](CC(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21)C(F)(F)F ZINC000902819342 969568370 /nfs/dbraw/zinc/56/83/70/969568370.db2.gz GUDWSANSJZSINO-NWDGAFQWSA-N -1 0 343.345 3.645 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)c2ccc(F)cc2Cl)cc1F ZINC000317124068 970330031 /nfs/dbraw/zinc/33/00/31/970330031.db2.gz DCSNISPGNMHANX-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2cccc(Cl)c2F)CCCCC1 ZINC000317320200 970348083 /nfs/dbraw/zinc/34/80/83/970348083.db2.gz OXTZPLNUPYNTAF-UHFFFAOYSA-N -1 0 327.783 3.634 20 0 EHADRM CC(C)(C)SCC(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000317583242 970371539 /nfs/dbraw/zinc/37/15/39/970371539.db2.gz CEINQTPKXDYYCC-UHFFFAOYSA-N -1 0 335.347 3.874 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)c1c(F)cccc1Cl ZINC000318849951 970480556 /nfs/dbraw/zinc/48/05/56/970480556.db2.gz GFPWYWHSJFUMPP-CYBMUJFWSA-N -1 0 327.783 3.633 20 0 EHADRM CCC1(CC)CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000318923471 970489796 /nfs/dbraw/zinc/48/97/96/970489796.db2.gz OEAUFGSCMHGAAX-UHFFFAOYSA-N -1 0 326.780 3.963 20 0 EHADRM O=C([O-])c1cc(OCc2cccc(F)c2Cl)ccc1[N+](=O)[O-] ZINC000319060112 970501087 /nfs/dbraw/zinc/50/10/87/970501087.db2.gz LINODLDKMPCCSH-UHFFFAOYSA-N -1 0 325.679 3.665 20 0 EHADRM O=C([O-])c1cccc(OCc2noc(-c3ccc(Cl)cc3)n2)c1 ZINC000319726970 970565624 /nfs/dbraw/zinc/56/56/24/970565624.db2.gz QKPRHENHLJPKPX-UHFFFAOYSA-N -1 0 330.727 3.667 20 0 EHADRM Cc1cc(OCC(=O)Nc2ccc(F)c(C(=O)[O-])c2)ccc1Cl ZINC000319920280 970589729 /nfs/dbraw/zinc/58/97/29/970589729.db2.gz QCSRSANOTFVQKQ-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM CCc1cccc(C)c1NC(=O)CSc1ccc(C(=O)[O-])cc1 ZINC000320079914 970611203 /nfs/dbraw/zinc/61/12/03/970611203.db2.gz VWBMDQUNBWVWQN-UHFFFAOYSA-N -1 0 329.421 3.986 20 0 EHADRM Cc1sc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)c(C(=O)[O-])c1C ZINC000320085011 970611336 /nfs/dbraw/zinc/61/13/36/970611336.db2.gz WOERSWOFROPCMJ-SECBINFHSA-N -1 0 337.372 3.608 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2nccc3ccccc32)ccc1Cl ZINC000320262637 970639992 /nfs/dbraw/zinc/63/99/92/970639992.db2.gz ACPLHEWBSVAMGQ-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM O=C([O-])c1cccc(-c2nc(Cc3c(F)cccc3Cl)no2)c1 ZINC000320470491 970668313 /nfs/dbraw/zinc/66/83/13/970668313.db2.gz QPDRFERHRYZVJV-UHFFFAOYSA-N -1 0 332.718 3.818 20 0 EHADRM Cc1nc(C)c(CNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])s1 ZINC000320514829 970672710 /nfs/dbraw/zinc/67/27/10/970672710.db2.gz QMYNUCNRWWTMND-UHFFFAOYSA-N -1 0 341.776 3.632 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2csc(-c3ccco3)n2)s1 ZINC000320536879 970675102 /nfs/dbraw/zinc/67/51/02/970675102.db2.gz GKOQTUBKKIYYBY-UHFFFAOYSA-N -1 0 348.405 3.978 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000320587999 970682027 /nfs/dbraw/zinc/68/20/27/970682027.db2.gz BTOORUIIQRFLSS-ARFHVFGLSA-N -1 0 335.831 3.895 20 0 EHADRM O=C([O-])c1cccnc1SCc1nc(-c2cccc(Cl)c2)no1 ZINC000320634516 970689288 /nfs/dbraw/zinc/68/92/88/970689288.db2.gz GVLZEGVSZNPUFQ-UHFFFAOYSA-N -1 0 347.783 3.776 20 0 EHADRM Cc1sc(NC(=O)[C@H](C)Oc2ccc(C)cc2)c(C(=O)[O-])c1C ZINC000320693940 970701478 /nfs/dbraw/zinc/70/14/78/970701478.db2.gz QTAYFEKMUURBDW-NSHDSACASA-N -1 0 333.409 3.778 20 0 EHADRM Cc1c(NC(=O)COc2ccc(F)cc2Cl)cccc1C(=O)[O-] ZINC000321112158 970744491 /nfs/dbraw/zinc/74/44/91/970744491.db2.gz OPDHDGKPEQSUFK-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM COc1ccc(C(=O)[O-])c(OCc2cc(-c3cccs3)on2)c1 ZINC000321209372 970752843 /nfs/dbraw/zinc/75/28/43/970752843.db2.gz ZDNZFBCCEHLVJB-UHFFFAOYSA-N -1 0 331.349 3.689 20 0 EHADRM CN(CCC(=O)[O-])C(=O)C1(c2ccc(Cl)cc2Cl)CCCC1 ZINC001604134464 972547627 /nfs/dbraw/zinc/54/76/27/972547627.db2.gz ZFRVYWLXJRPGDD-UHFFFAOYSA-N -1 0 344.238 3.738 20 0 EHADRM CSc1ccc(CCCC(=O)N(CC(=O)[O-])CC(C)(C)C)cc1 ZINC001604965117 972554389 /nfs/dbraw/zinc/55/43/89/972554389.db2.gz UWTTVLDQVYHFBN-UHFFFAOYSA-N -1 0 337.485 3.691 20 0 EHADRM CC(C)c1ccccc1NC(=O)CSc1nc(C(=O)[O-])cs1 ZINC000393526597 972608182 /nfs/dbraw/zinc/60/81/82/972608182.db2.gz XTESKIKIYFLPOX-UHFFFAOYSA-N -1 0 336.438 3.696 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NCC1(c2ccc(Cl)cc2)CC1 ZINC001603312857 972611479 /nfs/dbraw/zinc/61/14/79/972611479.db2.gz TUDABZKQQCJYLQ-UHFFFAOYSA-N -1 0 349.858 3.625 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCC(C)(C)[C@@H](c2ccccc2)C1 ZINC001603328883 972684517 /nfs/dbraw/zinc/68/45/17/972684517.db2.gz LVRLGINDIZSVNQ-QRWLVFNGSA-N -1 0 329.440 3.530 20 0 EHADRM Cc1c(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)ccc(F)c1F ZINC001605091117 972735074 /nfs/dbraw/zinc/73/50/74/972735074.db2.gz CBHBTZSUEJJMMP-DOMZBBRYSA-N -1 0 346.333 3.708 20 0 EHADRM Cc1c(F)c(F)ccc1NC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC001605091749 972738709 /nfs/dbraw/zinc/73/87/09/972738709.db2.gz MPVPALPXLCTPHF-LLVKDONJSA-N -1 0 326.343 3.524 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1)C1CC1 ZINC001605901696 972738910 /nfs/dbraw/zinc/73/89/10/972738910.db2.gz WCPTVINKCNWFSE-GFCCVEGCSA-N -1 0 336.800 3.513 20 0 EHADRM C[C@@H](Cc1cncc2ccccc21)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001604240305 972756879 /nfs/dbraw/zinc/75/68/79/972756879.db2.gz FGVJKTLJYVTTNO-AWEZNQCLSA-N -1 0 348.402 3.679 20 0 EHADRM C[C@H](CCC(C)(C)C)NC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000395147813 972778001 /nfs/dbraw/zinc/77/80/01/972778001.db2.gz KPZMDMYWUUUXHP-ZIAGYGMSSA-N -1 0 326.481 3.734 20 0 EHADRM C[C@@H](CCC(C)(C)C)NC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000395178106 972778964 /nfs/dbraw/zinc/77/89/64/972778964.db2.gz ZXALCCPHTUNYDJ-ZDUSSCGKSA-N -1 0 332.444 3.667 20 0 EHADRM O=C([O-])C1(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)CCCCC1 ZINC001605928559 972845411 /nfs/dbraw/zinc/84/54/11/972845411.db2.gz KBQHZGVKIDJKIQ-UHFFFAOYSA-N -1 0 348.830 3.515 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c(C)o1 ZINC000396388210 972871413 /nfs/dbraw/zinc/87/14/13/972871413.db2.gz PVJGTVXSEPOTEA-NWDGAFQWSA-N -1 0 330.384 3.967 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NCc2ccc(Cl)s2)cc1 ZINC000396444347 972890774 /nfs/dbraw/zinc/89/07/74/972890774.db2.gz PACAMXYWELDLQA-VIFPVBQESA-N -1 0 338.816 3.911 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)CSCc2ccc(F)cc2)cc1 ZINC000396597666 972920553 /nfs/dbraw/zinc/92/05/53/972920553.db2.gz BZVVUXBGBUZXAX-LBPRGKRZSA-N -1 0 347.411 3.886 20 0 EHADRM COc1cc(NC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cc(OC)c1 ZINC000396658778 972931556 /nfs/dbraw/zinc/93/15/56/972931556.db2.gz XKBABUBXPWLGOP-LLVKDONJSA-N -1 0 344.367 3.536 20 0 EHADRM Cc1cc(NC(=O)N2CCC[C@H]([C@@H]3CCCCO3)C2)ccc1C(=O)[O-] ZINC001605201639 972935213 /nfs/dbraw/zinc/93/52/13/972935213.db2.gz ZONGYDCZZCCFJL-YOEHRIQHSA-N -1 0 346.427 3.506 20 0 EHADRM C[C@H]1C[C@H](C)CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)C1 ZINC001603376137 972935479 /nfs/dbraw/zinc/93/54/79/972935479.db2.gz OVOHUTGUEVZIGI-IUCAKERBSA-N -1 0 328.771 3.687 20 0 EHADRM Cc1cc2cc[nH]c2cc1NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001605233224 972989257 /nfs/dbraw/zinc/98/92/57/972989257.db2.gz QDZABJMTLXHQHQ-INIZCTEOSA-N -1 0 349.390 3.692 20 0 EHADRM Cc1cc(C)c(CNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])cn1 ZINC000397555292 973010044 /nfs/dbraw/zinc/01/00/44/973010044.db2.gz KQHLDNAFSTURGN-UHFFFAOYSA-N -1 0 335.747 3.570 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)[C@]3(C(=O)[O-])CC3(C)C)cn2)cc1 ZINC001605302717 973116932 /nfs/dbraw/zinc/11/69/32/973116932.db2.gz CNDFNIIGZIKFRJ-IBGZPJMESA-N -1 0 340.379 3.622 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccccc2COC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC001603425506 973149805 /nfs/dbraw/zinc/14/98/05/973149805.db2.gz QARDLCFGIOOFLY-HIFRSBDPSA-N -1 0 348.443 3.576 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)NCc2cc3ccccc3s2)co1 ZINC001606063378 973189593 /nfs/dbraw/zinc/18/95/93/973189593.db2.gz AFJTXFMJHQSEMH-WAYWQWQTSA-N -1 0 327.361 3.522 20 0 EHADRM C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4ncccc4C(=O)[O-])cc3c2C1 ZINC001603435063 973203082 /nfs/dbraw/zinc/20/30/82/973203082.db2.gz XEFMYHWHTRZVMR-NSHDSACASA-N -1 0 349.390 3.638 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)C(=O)[O-])c1 ZINC001605329879 973203318 /nfs/dbraw/zinc/20/33/18/973203318.db2.gz ZWJOMJWVXJNSNT-INIZCTEOSA-N -1 0 342.782 3.685 20 0 EHADRM O=C([O-])CC1(C(=O)Oc2ccc(Cl)c(Br)c2)CCC1 ZINC001606077852 973236372 /nfs/dbraw/zinc/23/63/72/973236372.db2.gz JLEYQHGOYFVHLT-UHFFFAOYSA-N -1 0 347.592 3.653 20 0 EHADRM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001605347457 973244140 /nfs/dbraw/zinc/24/41/40/973244140.db2.gz MWWAXAIQLWSMCU-MIGQKNRLSA-N -1 0 329.440 3.545 20 0 EHADRM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC001605348008 973247017 /nfs/dbraw/zinc/24/70/17/973247017.db2.gz XWYZMTUPIUQVCA-DEXNDLTESA-N -1 0 329.440 3.688 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NC[C@@H]2CC3CCC2CC3)cc1 ZINC000400107516 973251695 /nfs/dbraw/zinc/25/16/95/973251695.db2.gz IWNDSHSJQWPQMU-NRXISQOPSA-N -1 0 344.455 3.997 20 0 EHADRM Cc1cncc(/C=C/C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)c1 ZINC001605376292 973333113 /nfs/dbraw/zinc/33/31/13/973333113.db2.gz WDKCFALDOUYGBK-GORDUTHDSA-N -1 0 334.734 3.533 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)N[C@@H](C(F)F)C1CCCCC1 ZINC001606117646 973351598 /nfs/dbraw/zinc/35/15/98/973351598.db2.gz XZELBKOVAPGQHC-DZGCQCFKSA-N -1 0 346.418 3.629 20 0 EHADRM Cc1ccc(CCC(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])cc1Cl ZINC000401384062 973361131 /nfs/dbraw/zinc/36/11/31/973361131.db2.gz PROCQCUKPYQRRJ-AWEZNQCLSA-N -1 0 325.836 3.587 20 0 EHADRM Cc1nc2sc3c(c2c(N2CC[C@](C)(C(=O)[O-])C2)n1)CCCCC3 ZINC001605408804 973408320 /nfs/dbraw/zinc/40/83/20/973408320.db2.gz JEJOSAAGXJIGIZ-SFHVURJKSA-N -1 0 345.468 3.570 20 0 EHADRM Cc1nc2sc3c(c2c(N[C@H]2C[C@H](C(=O)[O-])C2)n1)CCCCC3 ZINC001605410992 973414982 /nfs/dbraw/zinc/41/49/82/973414982.db2.gz RLHBJBZZQDGDGM-XYPYZODXSA-N -1 0 331.441 3.544 20 0 EHADRM O=C([O-])CCCCNC(=O)Nc1ccc(COc2ccccc2)cc1 ZINC001606165793 973415366 /nfs/dbraw/zinc/41/53/66/973415366.db2.gz DJSDKHBSWOFONW-UHFFFAOYSA-N -1 0 342.395 3.642 20 0 EHADRM Cc1nc2cc(F)ccc2cc1C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001605416824 973429080 /nfs/dbraw/zinc/42/90/80/973429080.db2.gz OOLVSTMJCXGILQ-HNNXBMFYSA-N -1 0 346.402 3.692 20 0 EHADRM O=C([O-])CCSc1nc2c(F)cccc2cc1Br ZINC001606210171 973456163 /nfs/dbraw/zinc/45/61/63/973456163.db2.gz MDLAWDVOBCZTQB-UHFFFAOYSA-N -1 0 330.178 3.703 20 0 EHADRM O=C([O-])CN(CC1CC1)c1ncnc2sc(-c3ccccc3)cc21 ZINC001606226102 973478910 /nfs/dbraw/zinc/47/89/10/973478910.db2.gz NLDAPZOKCIQSMN-UHFFFAOYSA-N -1 0 339.420 3.659 20 0 EHADRM Cc1cc(CCNC(=O)CC2(CC(=O)[O-])CCCC2)ccc1Cl ZINC000460845790 1032082370 /nfs/dbraw/zinc/08/23/70/1032082370.db2.gz KJTLGEQHHNGFRT-UHFFFAOYSA-N -1 0 337.847 3.732 20 0 EHADRM CC[C@H](CNC(=O)[C@@H](CC(C)C)c1ccc(Cl)cc1)C(=O)[O-] ZINC001603550982 973624083 /nfs/dbraw/zinc/62/40/83/973624083.db2.gz XUYRSIJQFSKENK-DOMZBBRYSA-N -1 0 325.836 3.697 20 0 EHADRM Nc1c(Cl)cc(C(=O)NCCCCCCCC(=O)[O-])cc1Cl ZINC000403181419 973665600 /nfs/dbraw/zinc/66/56/00/973665600.db2.gz FYOPLVRGSCHDDI-UHFFFAOYSA-N -1 0 347.242 3.731 20 0 EHADRM O=C([O-])[C@H](CNC(=O)Nc1cc(Cl)c(F)c(Cl)c1)CC1CC1 ZINC000405250138 973802952 /nfs/dbraw/zinc/80/29/52/973802952.db2.gz HTZSNTHDVMAIAU-QMMMGPOBSA-N -1 0 349.189 3.755 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC001606400326 973855178 /nfs/dbraw/zinc/85/51/78/973855178.db2.gz ZRDODZQURZWRKA-DTZQCDIJSA-N -1 0 335.831 3.593 20 0 EHADRM Cc1cc(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c(C)n1C1CC1 ZINC000414447549 973939824 /nfs/dbraw/zinc/93/98/24/973939824.db2.gz KZHXLTZGSDSRIA-GFCCVEGCSA-N -1 0 326.396 3.880 20 0 EHADRM CC1(C)CC[C@H](NC(=O)NCCCCCC(=O)[O-])c2ccccc21 ZINC000414606167 973941094 /nfs/dbraw/zinc/94/10/94/973941094.db2.gz DKBFEFALMWYDAV-INIZCTEOSA-N -1 0 332.444 3.743 20 0 EHADRM CCc1oc2ccccc2c1CN(C)C(=O)NCCCCCC(=O)[O-] ZINC000414632543 973943713 /nfs/dbraw/zinc/94/37/13/973943713.db2.gz YFCWBVFUSDXEHY-UHFFFAOYSA-N -1 0 346.427 3.782 20 0 EHADRM CCC[C@H](CC)C(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)[O-] ZINC001603633095 973957495 /nfs/dbraw/zinc/95/74/95/973957495.db2.gz VQHKLPWFOUTIKQ-JTQLQIEISA-N -1 0 341.429 3.696 20 0 EHADRM CCC[C@@H](CCc1ccccc1)NC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001603633456 973960164 /nfs/dbraw/zinc/96/01/64/973960164.db2.gz BXIZGQYFIKQALE-FXAWDEMLSA-N -1 0 329.440 3.715 20 0 EHADRM O=C([O-])c1cccc(C(=O)NCCCCCc2ccc(F)cc2)c1 ZINC001606508564 973999641 /nfs/dbraw/zinc/99/96/41/973999641.db2.gz PVZFJALBJXVOQH-UHFFFAOYSA-N -1 0 329.371 3.667 20 0 EHADRM CCCCc1nc2cc(NC(=O)C(CC)(CC)C(=O)[O-])ccc2[nH]1 ZINC001603653463 974021714 /nfs/dbraw/zinc/02/17/14/974021714.db2.gz WYYWTUSVQBWAOK-UHFFFAOYSA-N -1 0 331.416 3.735 20 0 EHADRM CC(C)(CCNC(=O)Nc1ncc(C2CCCCC2)s1)C(=O)[O-] ZINC000424387764 974025088 /nfs/dbraw/zinc/02/50/88/974025088.db2.gz XOKXFCNCQOMSQC-UHFFFAOYSA-N -1 0 339.461 3.813 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)NCCC(C)(C)C(=O)[O-])cc1C ZINC000424397778 974028262 /nfs/dbraw/zinc/02/82/62/974028262.db2.gz LGQCUEZESRKDDL-MRXNPFEDSA-N -1 0 332.444 3.651 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)NCCC(C)(C)C(=O)[O-])c2)oc1C ZINC000424462473 974037837 /nfs/dbraw/zinc/03/78/37/974037837.db2.gz ASGAYCNXZDYEAG-UHFFFAOYSA-N -1 0 345.399 3.581 20 0 EHADRM Cc1cc(F)c(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)c(F)c1 ZINC000424611147 974038386 /nfs/dbraw/zinc/03/83/86/974038386.db2.gz DUKUIJYWPKUVDF-UHFFFAOYSA-N -1 0 332.350 3.534 20 0 EHADRM CC(C)(CCNC(=O)Nc1ccc2nc(C3CC3)sc2c1)C(=O)[O-] ZINC000424472823 974038669 /nfs/dbraw/zinc/03/86/69/974038669.db2.gz PSCCEYHSWGNPJB-UHFFFAOYSA-N -1 0 347.440 3.796 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000425228722 974039067 /nfs/dbraw/zinc/03/90/67/974039067.db2.gz AUVBZWZUQQGHHY-OAHLLOKOSA-N -1 0 341.407 3.666 20 0 EHADRM O=C([O-])[C@H](NCc1cc(F)ccc1Br)c1ccsc1 ZINC000426818577 974049414 /nfs/dbraw/zinc/04/94/14/974049414.db2.gz SDXKDMQHYZMPJQ-GFCCVEGCSA-N -1 0 344.205 3.565 20 0 EHADRM CCN(CC(=O)[O-])C(=O)c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000431435836 974064093 /nfs/dbraw/zinc/06/40/93/974064093.db2.gz QOEYFUCNHINLRN-UHFFFAOYSA-N -1 0 339.800 3.631 20 0 EHADRM CCC[C@@](C)(NC(=O)CCCc1ccc2ccccc2c1)C(=O)[O-] ZINC000431458580 974065633 /nfs/dbraw/zinc/06/56/33/974065633.db2.gz LPOLYGFJQBRETK-HXUWFJFHSA-N -1 0 327.424 3.922 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)Cc2cc3c(ccc4ccccc34)o2)o1 ZINC000431515454 974066605 /nfs/dbraw/zinc/06/66/05/974066605.db2.gz AJVQMANAUXBPSI-UHFFFAOYSA-N -1 0 349.342 3.736 20 0 EHADRM CC[C@@H](C(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1)c1ccc(F)cc1 ZINC000431535397 974067449 /nfs/dbraw/zinc/06/74/49/974067449.db2.gz ZRPYVYALXPAGFL-MSOLQXFVSA-N -1 0 343.398 3.612 20 0 EHADRM O=C([O-])C1(CNC(=O)Cc2cc(Cl)ccc2Cl)CCCCC1 ZINC000431859984 974077043 /nfs/dbraw/zinc/07/70/43/974077043.db2.gz HIDWBBHGGIAHIG-UHFFFAOYSA-N -1 0 344.238 3.687 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])cc1 ZINC000432090383 974085199 /nfs/dbraw/zinc/08/51/99/974085199.db2.gz RHXAKCSYYSSQBT-BEFAXECRSA-N -1 0 333.428 3.627 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)NCC2(Cc3ccccc3)CCCC2)C1 ZINC000432105086 974086910 /nfs/dbraw/zinc/08/69/10/974086910.db2.gz CPIVTHZBGNQNLA-ROUUACIJSA-N -1 0 343.467 3.797 20 0 EHADRM COc1ccc2nc(CN[C@@H](C(=O)[O-])c3cccc(C)c3)sc2c1 ZINC001604850959 974090202 /nfs/dbraw/zinc/09/02/02/974090202.db2.gz FADYXACTCOHBKQ-QGZVFWFLSA-N -1 0 342.420 3.529 20 0 EHADRM Cc1cc2[nH]c(C(=O)N[C@]3(C)CCCC[C@@H]3C(=O)[O-])cc2c(C)c1 ZINC000432127544 974090527 /nfs/dbraw/zinc/09/05/27/974090527.db2.gz GUMHXNXCQWAYGT-AUUYWEPGSA-N -1 0 328.412 3.548 20 0 EHADRM Cc1cc(C)cc([C@H]2CCN(C(=O)Cc3cccc(C(=O)[O-])c3)C2)c1 ZINC000432134664 974091044 /nfs/dbraw/zinc/09/10/44/974091044.db2.gz FPCQUSYSYWFGKA-SFHVURJKSA-N -1 0 337.419 3.560 20 0 EHADRM O=C([O-])c1cccnc1NC(=O)CCc1ccc(F)c2ccccc12 ZINC001605687375 974102885 /nfs/dbraw/zinc/10/28/85/974102885.db2.gz SKMOAFOYSTWIDI-UHFFFAOYSA-N -1 0 338.338 3.643 20 0 EHADRM CC(C)(C)C1CCC(CC(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)CC1 ZINC000439721391 974108278 /nfs/dbraw/zinc/10/82/78/974108278.db2.gz SNIQGVQQJAYOMX-UHFFFAOYSA-N -1 0 349.475 3.884 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000439919841 974112511 /nfs/dbraw/zinc/11/25/11/974112511.db2.gz FJFPIAZEVINUHF-MRXNPFEDSA-N -1 0 345.826 3.854 20 0 EHADRM C[C@@H](C(=O)Nc1cccc(CSCC(=O)[O-])c1)c1ccccc1 ZINC000439932651 974112739 /nfs/dbraw/zinc/11/27/39/974112739.db2.gz MJQBBLNQMGZGKY-CYBMUJFWSA-N -1 0 329.421 3.747 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)CCC(=O)c1ccc2ccccc2c1 ZINC000442743115 974118286 /nfs/dbraw/zinc/11/82/86/974118286.db2.gz QAQGVAMZZGREJP-CQSZACIVSA-N -1 0 341.407 3.514 20 0 EHADRM CC[C@H](C(=O)N(CC(=O)[O-])Cc1ccc(F)c(F)c1)c1ccccc1 ZINC000447896086 974125178 /nfs/dbraw/zinc/12/51/78/974125178.db2.gz HSYXSSSVORRKEL-HNNXBMFYSA-N -1 0 347.361 3.572 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)CCCc1ccc(C(C)(C)C)cc1 ZINC000455892629 974164324 /nfs/dbraw/zinc/16/43/24/974164324.db2.gz NCZFYTSKEQAXBM-PBHICJAKSA-N -1 0 331.456 3.628 20 0 EHADRM CCCc1ccccc1[N-]S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000322136593 1032085507 /nfs/dbraw/zinc/08/55/07/1032085507.db2.gz VNLNJURPAJPJDE-UHFFFAOYSA-N -1 0 349.843 3.741 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN(C(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC000478825463 974208109 /nfs/dbraw/zinc/20/81/09/974208109.db2.gz IXQSNDSOTJDBBP-HXUWFJFHSA-N -1 0 341.382 3.718 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)c(F)c1 ZINC000478840671 974210099 /nfs/dbraw/zinc/21/00/99/974210099.db2.gz OZJZMYFRTPHSLD-KDOFPFPSSA-N -1 0 341.382 3.665 20 0 EHADRM COCc1cccc(CNc2cccc(C(=O)[O-])c2OC(C)C)c1 ZINC000485383657 974228372 /nfs/dbraw/zinc/22/83/72/974228372.db2.gz NUHXUBOHFNXBGC-UHFFFAOYSA-N -1 0 329.396 3.931 20 0 EHADRM CN(c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000518080371 974321286 /nfs/dbraw/zinc/32/12/86/974321286.db2.gz GZTPLWJLIFSCOT-UHFFFAOYSA-N -1 0 347.436 3.507 20 0 EHADRM CC[C@@H]1CO[C@H](C)CN1Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000518547147 974324303 /nfs/dbraw/zinc/32/43/03/974324303.db2.gz WUXLZPLBBYNMSR-MLGOLLRUSA-N -1 0 346.452 3.508 20 0 EHADRM Cc1cc2[nH]c(C(=O)NC3(CC(=O)[O-])CCCCC3)cc2c(C)c1 ZINC000531743976 974366858 /nfs/dbraw/zinc/36/68/58/974366858.db2.gz UCPUPXFLFNKKIQ-UHFFFAOYSA-N -1 0 328.412 3.692 20 0 EHADRM Cc1oc(CN(C)C(=O)CCc2cccc(Cl)c2)cc1C(=O)[O-] ZINC000532001368 974370494 /nfs/dbraw/zinc/37/04/94/974370494.db2.gz NMDRIQQMPQGOJA-UHFFFAOYSA-N -1 0 335.787 3.531 20 0 EHADRM Cc1cccc2c(CC(=O)NCC3(CC(=O)[O-])CCCCC3)c[nH]c21 ZINC000537474812 974384280 /nfs/dbraw/zinc/38/42/80/974384280.db2.gz ILNRXMAIDMPHRU-UHFFFAOYSA-N -1 0 342.439 3.560 20 0 EHADRM C[C@@H](C(=O)N1CCc2ccc(C(=O)[O-])cc2C1)c1cc2ccccc2o1 ZINC000539676945 974399022 /nfs/dbraw/zinc/39/90/22/974399022.db2.gz MBSKYMURXASKMG-CYBMUJFWSA-N -1 0 349.386 3.819 20 0 EHADRM CC(C)c1cc(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)on1 ZINC000539821706 974402461 /nfs/dbraw/zinc/40/24/61/974402461.db2.gz KHYGWKQUNJKMHN-UHFFFAOYSA-N -1 0 330.365 3.963 20 0 EHADRM CC[C@H](NC(=O)c1ccnc(Oc2ccc(C(C)C)cc2)c1)C(=O)[O-] ZINC001603954856 974434123 /nfs/dbraw/zinc/43/41/23/974434123.db2.gz LAELMBCEUIPGDU-INIZCTEOSA-N -1 0 342.395 3.590 20 0 EHADRM CCc1ccc2nc(NC(=O)[C@@H](C(=O)[O-])C3CCCC3)sc2c1 ZINC001603975572 974468922 /nfs/dbraw/zinc/46/89/22/974468922.db2.gz VULASBCBBUMDAR-AWEZNQCLSA-N -1 0 332.425 3.688 20 0 EHADRM CCn1c2ccc(F)cc2nc1NC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001604007253 974513572 /nfs/dbraw/zinc/51/35/72/974513572.db2.gz ALPHXKHWOIGSKV-UHFFFAOYSA-N -1 0 347.390 3.559 20 0 EHADRM C[C@H](c1nc(-c2ccccc2)no1)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000563976723 974542357 /nfs/dbraw/zinc/54/23/57/974542357.db2.gz NPJADGJPUJXWOL-CYBMUJFWSA-N -1 0 349.390 3.554 20 0 EHADRM COc1cc(CN2CCc3c(cccc3C(=O)[O-])C2)ccc1SC ZINC000565250796 974577230 /nfs/dbraw/zinc/57/72/30/974577230.db2.gz QGCLMELLFYNFJU-UHFFFAOYSA-N -1 0 343.448 3.674 20 0 EHADRM COc1ccc(C2CCN(c3nc(C(=O)[O-])c(C)s3)CC2)cc1 ZINC000565777491 974587794 /nfs/dbraw/zinc/58/77/94/974587794.db2.gz QZDWCOYVNGJAAF-UHFFFAOYSA-N -1 0 332.425 3.542 20 0 EHADRM CN(CCOc1ccccc1Cl)[C@H](C(=O)[O-])c1ccsc1 ZINC000565837808 974590054 /nfs/dbraw/zinc/59/00/54/974590054.db2.gz HFFTWKMYKIXNOF-AWEZNQCLSA-N -1 0 325.817 3.538 20 0 EHADRM C[C@@H](CN(C)[C@H](C(=O)[O-])c1c(F)cccc1Cl)c1nccs1 ZINC000566921106 974624394 /nfs/dbraw/zinc/62/43/94/974624394.db2.gz WOJCZSNVUZYWNN-ZANVPECISA-N -1 0 342.823 3.797 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc(COc2ccccc2)cc1 ZINC000567062209 974626375 /nfs/dbraw/zinc/62/63/75/974626375.db2.gz VXHAYWRIKBWPOL-CQSZACIVSA-N -1 0 327.380 3.705 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(-c2ccc(NC(=O)C(C)(C)C)nc2)s1 ZINC000569020875 974684027 /nfs/dbraw/zinc/68/40/27/974684027.db2.gz JIQSUEWVLBUGPE-SNVBAGLBSA-N -1 0 332.425 3.983 20 0 EHADRM COC(=O)CCC[C@H]1CCC[C@@H](Nc2cccc(CC(=O)[O-])c2)C1 ZINC000569319012 974687877 /nfs/dbraw/zinc/68/78/77/974687877.db2.gz RZRPBRFTNSPXCB-GDBMZVCRSA-N -1 0 333.428 3.628 20 0 EHADRM CC(C)c1ccc(-c2noc(CN([C@H](C)C(=O)[O-])C3CCC3)n2)cc1 ZINC000573140822 974761066 /nfs/dbraw/zinc/76/10/66/974761066.db2.gz HFJOFYWKDLBWGT-CYBMUJFWSA-N -1 0 343.427 3.688 20 0 EHADRM Cc1nn(C(C)(C)C)cc1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000576053839 974807075 /nfs/dbraw/zinc/80/70/75/974807075.db2.gz AYXQZJKKFUENLI-UHFFFAOYSA-N -1 0 335.791 3.550 20 0 EHADRM O=C([O-])[C@@H](NCc1cccc(F)c1F)c1ccc(Cl)c(F)c1 ZINC000576097893 974808272 /nfs/dbraw/zinc/80/82/72/974808272.db2.gz XAWRIXYRTBODSO-AWEZNQCLSA-N -1 0 329.705 3.673 20 0 EHADRM Cc1cccc(CCC(=O)N[C@](C)(CC(=O)[O-])c2cccc(F)c2)c1 ZINC000577466562 974836150 /nfs/dbraw/zinc/83/61/50/974836150.db2.gz MKQNBMDAKVBRLX-HXUWFJFHSA-N -1 0 343.398 3.573 20 0 EHADRM C[C@@H](CN(Cc1csc(C2CC2)n1)Cc1ccccc1)C(=O)[O-] ZINC000577957771 974844948 /nfs/dbraw/zinc/84/49/48/974844948.db2.gz HJGKTAIJUUWRGO-ZDUSSCGKSA-N -1 0 330.453 3.743 20 0 EHADRM O=C([O-])c1ccc(Cl)c(CN2CCO[C@H](c3ccsc3)C2)c1 ZINC000578199520 974850253 /nfs/dbraw/zinc/85/02/53/974850253.db2.gz LEXHMFBZULADPA-HNNXBMFYSA-N -1 0 337.828 3.673 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CCCC[C@@H]2C2CC2)C[C@H]1c1ccccc1 ZINC000578891407 974864617 /nfs/dbraw/zinc/86/46/17/974864617.db2.gz AGPMSUMMLKJUNM-YDZRNGNQSA-N -1 0 341.451 3.530 20 0 EHADRM CCN(Cc1cccc(-c2ccncc2)c1)C(=O)C[C@H](C)CC(=O)[O-] ZINC000579614193 974879142 /nfs/dbraw/zinc/87/91/42/974879142.db2.gz VBLPATCZQAPEPL-HNNXBMFYSA-N -1 0 340.423 3.598 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1F ZINC000580095569 974888816 /nfs/dbraw/zinc/88/88/16/974888816.db2.gz YUWXYOXZUDIHJU-KSSFIOAISA-N -1 0 343.398 3.727 20 0 EHADRM COC1([C@H](C(=O)[O-])N2Cc3ccccc3-c3ccccc3C2)CCC1 ZINC000580456451 974894456 /nfs/dbraw/zinc/89/44/56/974894456.db2.gz BOPHBLXFSGVDGL-IBGZPJMESA-N -1 0 337.419 3.692 20 0 EHADRM CS[C@H](C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC000593921707 974987851 /nfs/dbraw/zinc/98/78/51/974987851.db2.gz HVMNXJCKONMSQO-IKGGRYGDSA-N -1 0 341.432 3.520 20 0 EHADRM CC(C)(C)Oc1ccc(CNC(=O)CC2(CC(=O)[O-])CCCC2)cc1 ZINC000620149394 975026550 /nfs/dbraw/zinc/02/65/50/975026550.db2.gz OFQVNTMBSVATOU-UHFFFAOYSA-N -1 0 347.455 3.905 20 0 EHADRM O=C([O-])[C@H]1CCCCCN1C(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000621569377 975036189 /nfs/dbraw/zinc/03/61/89/975036189.db2.gz ICVOTEGPTHEJER-CQSZACIVSA-N -1 0 343.345 3.651 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)Cc1ccccc1Cl ZINC000621586594 975043536 /nfs/dbraw/zinc/04/35/36/975043536.db2.gz GIHAJRHOBBAUPQ-IRXDYDNUSA-N -1 0 343.810 3.699 20 0 EHADRM CC(C)CN(Cc1cccc(Cl)c1)C(=O)NCCCCC(=O)[O-] ZINC000621836126 975063879 /nfs/dbraw/zinc/06/38/79/975063879.db2.gz YHBUHQOZMKWMPL-UHFFFAOYSA-N -1 0 340.851 3.763 20 0 EHADRM CCSc1ccc(CN(CC(=O)[O-])C2CC2)c(Br)c1 ZINC000629358756 975082089 /nfs/dbraw/zinc/08/20/89/975082089.db2.gz LIRGVFRBMVYAMQ-UHFFFAOYSA-N -1 0 344.274 3.610 20 0 EHADRM CCc1ccc([C@@H]2CCCCCN2C(=O)c2cncc(C(=O)[O-])c2)o1 ZINC000630121872 975110249 /nfs/dbraw/zinc/11/02/49/975110249.db2.gz UNRVMIAIXNIKIA-INIZCTEOSA-N -1 0 342.395 3.693 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000630140613 975124672 /nfs/dbraw/zinc/12/46/72/975124672.db2.gz HTRPIVPPCBIVIW-AEFFLSMTSA-N -1 0 347.455 3.763 20 0 EHADRM Cc1ccccc1CO[C@@H](C)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000630142554 975126469 /nfs/dbraw/zinc/12/64/69/975126469.db2.gz WGKROXUUJOZEKW-AWEZNQCLSA-N -1 0 327.380 3.545 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(OCCCC(=O)[O-])cc1)c1ccco1 ZINC000630144967 975128299 /nfs/dbraw/zinc/12/82/99/975128299.db2.gz USLAOIFFXWVHTC-ZDUSSCGKSA-N -1 0 331.368 3.656 20 0 EHADRM Cc1oc(-c2ccccc2)cc1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000630161362 975136782 /nfs/dbraw/zinc/13/67/82/975136782.db2.gz ZBEJJFGRNSWGCX-HNNXBMFYSA-N -1 0 341.407 3.972 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(C(=O)[C@H]2CCCC23CC3)CC1 ZINC000630185541 975147036 /nfs/dbraw/zinc/14/70/36/975147036.db2.gz CPKNPBPZRCSCHX-GOSISDBHSA-N -1 0 341.451 3.746 20 0 EHADRM CC(C)CN(Cc1ccccc1F)C(=O)c1cccc(CC(=O)[O-])c1 ZINC000630226110 975173684 /nfs/dbraw/zinc/17/36/84/975173684.db2.gz AXIJPJVQNICSIE-UHFFFAOYSA-N -1 0 343.398 3.751 20 0 EHADRM CC(C)(C(=O)NCc1ccc(CC(=O)[O-])cc1)c1ccccc1Cl ZINC000630233811 975181474 /nfs/dbraw/zinc/18/14/74/975181474.db2.gz YABBDAXWMWZBEK-UHFFFAOYSA-N -1 0 345.826 3.561 20 0 EHADRM CCC(F)(F)C(C)(C)CNC(=O)CCc1ccccc1C(=O)[O-] ZINC000630263042 975206730 /nfs/dbraw/zinc/20/67/30/975206730.db2.gz UBIXKIBHQKTIIJ-UHFFFAOYSA-N -1 0 327.371 3.505 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2csc3ccccc23)[C@@H]2CCC[C@H]21 ZINC000630279630 975224549 /nfs/dbraw/zinc/22/45/49/975224549.db2.gz KFETVHUUVZXPHG-NJZAAPMLSA-N -1 0 329.421 3.617 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)NCc1ccc(C2CC2)cc1F ZINC000630300711 975238855 /nfs/dbraw/zinc/23/88/55/975238855.db2.gz XXJOQKWUQJYOQL-UHFFFAOYSA-N -1 0 341.382 3.650 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N[C@@H]2CCCc3ccc(Cl)cc32)C1 ZINC000630304097 975240965 /nfs/dbraw/zinc/24/09/65/975240965.db2.gz DXFZINLOSZXCGY-HEHGZKQESA-N -1 0 335.831 3.725 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2CCC=CCC2)c(OC(F)F)c1 ZINC000634805402 975276745 /nfs/dbraw/zinc/27/67/45/975276745.db2.gz NIXYQUSSCYHYRK-UHFFFAOYSA-N -1 0 325.311 3.671 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000634828347 975277467 /nfs/dbraw/zinc/27/74/67/975277467.db2.gz UCWYAEZVVMNYTN-TUAOUCFPSA-N -1 0 345.361 3.815 20 0 EHADRM COc1ccccc1[C@H]1CCCN1C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000634878131 975279963 /nfs/dbraw/zinc/27/99/63/975279963.db2.gz DUUUGCQAOXEQIJ-MRXNPFEDSA-N -1 0 345.439 3.784 20 0 EHADRM CCOc1cc(Cl)ccc1NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000584294042 1032087410 /nfs/dbraw/zinc/08/74/10/1032087410.db2.gz ABZRVXOUBKUIJD-UHFFFAOYSA-N -1 0 339.819 3.958 20 0 EHADRM Cc1nn(C(C)(C)C)cc1[C@@H](C)Nc1ncc(C(=O)[O-])cc1Cl ZINC000647453145 975364030 /nfs/dbraw/zinc/36/40/30/975364030.db2.gz YDXQQTYFMPRMGY-SECBINFHSA-N -1 0 336.823 3.866 20 0 EHADRM O=C([O-])c1ccc(N2CCC(c3c[nH]c4ccc(F)cc43)CC2)nc1 ZINC000647455141 975364794 /nfs/dbraw/zinc/36/47/94/975364794.db2.gz NWWDPPYGZKQJDN-UHFFFAOYSA-N -1 0 339.370 3.784 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)CC2CC(c3ccccc3)C2)C1 ZINC000648333739 975380819 /nfs/dbraw/zinc/38/08/19/975380819.db2.gz RGRGMJSOPLGAQL-VMWRSERWSA-N -1 0 343.467 3.920 20 0 EHADRM O=C([O-])c1cccc2c1CN(C(=O)CC1CC(c3ccccc3)C1)CC2 ZINC000649259097 975401795 /nfs/dbraw/zinc/40/17/95/975401795.db2.gz POJMOMVUYIDVLI-UHFFFAOYSA-N -1 0 349.430 3.853 20 0 EHADRM C[C@@H](C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)c1ccc(Cl)cc1 ZINC000652068553 975466313 /nfs/dbraw/zinc/46/63/13/975466313.db2.gz HBVFUGWHDQEILA-BFUOFWGJSA-N -1 0 345.826 3.602 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCc2oc(-c3ccccc3)cc2C1 ZINC000652083225 975477017 /nfs/dbraw/zinc/47/70/17/975477017.db2.gz ULKNFWYBQADFGU-UHFFFAOYSA-N -1 0 341.407 3.722 20 0 EHADRM C[C@H]1CN(C(=O)CC(C)(C)CC(=O)[O-])CCc2ccc(Cl)cc21 ZINC000652092295 975487865 /nfs/dbraw/zinc/48/78/65/975487865.db2.gz IFVKBALKNCYCOA-LBPRGKRZSA-N -1 0 337.847 3.719 20 0 EHADRM CC(C)O[C@H](C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-])c1ccccc1 ZINC001591686633 975498041 /nfs/dbraw/zinc/49/80/41/975498041.db2.gz QSCFXPHYIVGXNZ-MSOLQXFVSA-N -1 0 347.455 3.550 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CN1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000652401459 975522824 /nfs/dbraw/zinc/52/28/24/975522824.db2.gz GNOSEEPCHRVREH-LRDDRELGSA-N -1 0 331.437 3.717 20 0 EHADRM CC(C)CO[C@@H]1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000652440875 975534955 /nfs/dbraw/zinc/53/49/55/975534955.db2.gz DJEBNDKGWYZNAZ-DOMZBBRYSA-N -1 0 346.254 3.866 20 0 EHADRM CC(C)CO[C@@H]1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000652440876 975535149 /nfs/dbraw/zinc/53/51/49/975535149.db2.gz DJEBNDKGWYZNAZ-IUODEOHRSA-N -1 0 346.254 3.866 20 0 EHADRM CCC[C@H](NC(=O)c1cccc(CC(=O)[O-])c1)c1ccc(F)cc1F ZINC000653642900 975611189 /nfs/dbraw/zinc/61/11/89/975611189.db2.gz CMAGNASWKYNQSI-KRWDZBQOSA-N -1 0 347.361 3.863 20 0 EHADRM CC[C@@H](C)Oc1ccc(NC(=O)c2cccc(CC(=O)[O-])c2)cc1 ZINC000653644362 975614480 /nfs/dbraw/zinc/61/44/80/975614480.db2.gz IVPXMTRLOCCCOL-CYBMUJFWSA-N -1 0 327.380 3.743 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cc1 ZINC000656474346 975657635 /nfs/dbraw/zinc/65/76/35/975657635.db2.gz CSGASFNEQAAWLZ-UYHISHBKSA-N -1 0 339.391 3.626 20 0 EHADRM CC(C)OCCCC(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001591722108 975658641 /nfs/dbraw/zinc/65/86/41/975658641.db2.gz HCVIQPRUNDERFI-CQSZACIVSA-N -1 0 349.210 3.868 20 0 EHADRM C[C@]1(C2CC2)CN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CCO1 ZINC000656757189 975684763 /nfs/dbraw/zinc/68/47/63/975684763.db2.gz LOPBRBHJJIHFHL-GDBMZVCRSA-N -1 0 344.238 3.620 20 0 EHADRM CCC1(C(=O)NCCc2ccc(C(=O)[O-])cc2)CCC(F)(F)CC1 ZINC000659118742 975714328 /nfs/dbraw/zinc/71/43/28/975714328.db2.gz ZJSJGVABYAULMS-UHFFFAOYSA-N -1 0 339.382 3.649 20 0 EHADRM CCOc1ccc([C@@H]2CCCN2C(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC000659119238 975715871 /nfs/dbraw/zinc/71/58/71/975715871.db2.gz RPQOVFUTRHVIBP-INIZCTEOSA-N -1 0 343.379 3.662 20 0 EHADRM C[C@@H](NC(=O)C1(C(=O)[O-])CC2(CCC2)C1)C(C)(C)c1ccccc1 ZINC000659121776 975720399 /nfs/dbraw/zinc/72/03/99/975720399.db2.gz KWTKUASTJXHBCP-CQSZACIVSA-N -1 0 329.440 3.504 20 0 EHADRM CC(C)n1ncc2ccc(NC(=O)C3(C(=O)[O-])CC4(CCC4)C3)cc21 ZINC000659122494 975721646 /nfs/dbraw/zinc/72/16/46/975721646.db2.gz VFDPZJSBXIKHHS-UHFFFAOYSA-N -1 0 341.411 3.591 20 0 EHADRM O=C([O-])C1CCC(NC(=O)c2cc3cc(Cl)ccc3s2)CC1 ZINC000659131726 975732211 /nfs/dbraw/zinc/73/22/11/975732211.db2.gz VYBPSIMOFDTQMD-UHFFFAOYSA-N -1 0 337.828 3.928 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@H]2CCC[C@@H]2Cc2ccccc2)CCCC1 ZINC000659152096 975752813 /nfs/dbraw/zinc/75/28/13/975752813.db2.gz PTQGFKYJJIFWRK-SJORKVTESA-N -1 0 329.440 3.549 20 0 EHADRM CC(C)Oc1c(NC(=O)N(C)c2ccccc2)cccc1C(=O)[O-] ZINC001591741729 975757187 /nfs/dbraw/zinc/75/71/87/975757187.db2.gz OUTSYWLMBQGJRZ-UHFFFAOYSA-N -1 0 328.368 3.840 20 0 EHADRM CC(C)Oc1c(NC(=O)CCCc2cccnc2)cccc1C(=O)[O-] ZINC001591742390 975761719 /nfs/dbraw/zinc/76/17/19/975761719.db2.gz ZINFGHIGZDVBKH-UHFFFAOYSA-N -1 0 342.395 3.528 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)C2CC3(C2)CCCCC3)[C@@H]2CCCC[C@@H]12 ZINC000659192392 975790610 /nfs/dbraw/zinc/79/06/10/975790610.db2.gz NJCVWBXDSBJTGO-GVDBMIGSSA-N -1 0 333.472 3.839 20 0 EHADRM Cc1cccc2c(C(=O)N3CC[C@H](C(=O)[O-])[C@@H]4CCCC[C@@H]43)coc21 ZINC000659194539 975795925 /nfs/dbraw/zinc/79/59/25/975795925.db2.gz UNXIVSVFZUGRAO-QRTARXTBSA-N -1 0 341.407 3.847 20 0 EHADRM Cc1cccc2c1CCC[C@@H]2NC(=O)CCc1ccccc1C(=O)[O-] ZINC000659235492 975843298 /nfs/dbraw/zinc/84/32/98/975843298.db2.gz YKSCPEKQOIWQHR-IBGZPJMESA-N -1 0 337.419 3.820 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)NCc2ccc(C3CCC3)cc2)CC1 ZINC000659401811 975845722 /nfs/dbraw/zinc/84/57/22/975845722.db2.gz SCLTVFKMUKJDIM-UHFFFAOYSA-N -1 0 344.455 3.741 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)N[C@@H](C2CCC2)C2CCCC2)CC1 ZINC000659409370 975848795 /nfs/dbraw/zinc/84/87/95/975848795.db2.gz CKONYZKYGCLJRR-GOSISDBHSA-N -1 0 336.476 3.632 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N[C@@H]1CCCC[C@H]1F ZINC001591769545 975893862 /nfs/dbraw/zinc/89/38/62/975893862.db2.gz NQAPVFSULJWJJK-CHWSQXEVSA-N -1 0 338.379 3.574 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)C2[C@@H]3CCCCCC[C@@H]23)c2ccccc21 ZINC000663121318 975926144 /nfs/dbraw/zinc/92/61/44/975926144.db2.gz XZCNLVJUXMIGMU-VQHPVUNQSA-N -1 0 327.424 3.632 20 0 EHADRM Cc1cc(C)cc(CC(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c1 ZINC000668278426 975983249 /nfs/dbraw/zinc/98/32/49/975983249.db2.gz DSGQHTGTBRQOIX-UHFFFAOYSA-N -1 0 341.407 3.728 20 0 EHADRM CC(C)Oc1ccc2ccccc2c1CNc1ccc(C(=O)[O-])nn1 ZINC001591791786 975990209 /nfs/dbraw/zinc/99/02/09/975990209.db2.gz NXWNCMCEFLNPLP-UHFFFAOYSA-N -1 0 337.379 3.727 20 0 EHADRM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000676003688 976026781 /nfs/dbraw/zinc/02/67/81/976026781.db2.gz TYFQKGHHIIGRBE-YGRLFVJLSA-N -1 0 325.792 3.572 20 0 EHADRM Cc1ccc(/C=C/CC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1 ZINC000679094872 976039400 /nfs/dbraw/zinc/03/94/00/976039400.db2.gz SDJRWOKQBRXEES-VZSQWMKGSA-N -1 0 335.403 3.609 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000679100698 976043042 /nfs/dbraw/zinc/04/30/42/976043042.db2.gz DMGPNEUAGTTZRR-MCIONIFRSA-N -1 0 335.469 3.509 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCCCc2cccc(Cl)c2)c(F)c1 ZINC000681355743 976058571 /nfs/dbraw/zinc/05/85/71/976058571.db2.gz IZLNRTXIPALDDJ-UHFFFAOYSA-N -1 0 335.762 3.540 20 0 EHADRM Cc1ccc(CCCNC(=O)c2ccc(C(=O)[O-])cc2F)c(C)c1 ZINC000681355864 976058912 /nfs/dbraw/zinc/05/89/12/976058912.db2.gz YXBMGESFRIQTSV-UHFFFAOYSA-N -1 0 329.371 3.503 20 0 EHADRM O=C([O-])[C@@H](NCc1cc2cc(F)ccc2o1)c1cc(F)ccc1F ZINC000683172283 976078254 /nfs/dbraw/zinc/07/82/54/976078254.db2.gz BZTYYDVWSPVNIY-INIZCTEOSA-N -1 0 335.281 3.766 20 0 EHADRM C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)CC(C)(C)CC(=O)[O-] ZINC000683302201 976083487 /nfs/dbraw/zinc/08/34/87/976083487.db2.gz FOHHCWWXQFQGOL-CQSZACIVSA-N -1 0 349.471 3.759 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)CNc2ccccc2Cl)cc1)C(=O)[O-] ZINC000683331948 976090151 /nfs/dbraw/zinc/09/01/51/976090151.db2.gz VXWYOLGDOAVALT-GFCCVEGCSA-N -1 0 346.814 3.654 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CC(=O)N2CCC[C@@H]2CC(=O)[O-])c2ccccc21 ZINC001591845907 976125116 /nfs/dbraw/zinc/12/51/16/976125116.db2.gz GKDZJDQTHTUEEX-DAYGRLMNSA-N -1 0 329.440 3.769 20 0 EHADRM CC(C)[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2CC(=O)[O-])c2ccccc21 ZINC001591846132 976126325 /nfs/dbraw/zinc/12/63/25/976126325.db2.gz LLCLDLQRRXTPGI-COXVUDFISA-N -1 0 330.428 3.520 20 0 EHADRM CC(C)c1ccc(-c2nc(C(=O)O[C@H](C(=O)[O-])C3CC3)cs2)cc1 ZINC001591936350 976459555 /nfs/dbraw/zinc/45/95/55/976459555.db2.gz UZPDTAQKTUNMPW-HNNXBMFYSA-N -1 0 345.420 3.954 20 0 EHADRM CC(C)c1ccc(NC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])c(C(C)C)c1 ZINC001591965901 976561160 /nfs/dbraw/zinc/56/11/60/976561160.db2.gz VPCVBQGHGLGTEY-RHSMWYFYSA-N -1 0 348.443 3.545 20 0 EHADRM CC(C)c1ccc(NC(=O)N(C)C[C@@H]2CCCCO2)c(C(=O)[O-])c1 ZINC001591966033 976562032 /nfs/dbraw/zinc/56/20/32/976562032.db2.gz XRDYBQLUTUMLMG-AWEZNQCLSA-N -1 0 334.416 3.541 20 0 EHADRM CC(C)c1ccc(NCC(=O)N[C@@H](C)c2cccs2)c(C(=O)[O-])c1 ZINC001591967458 976563387 /nfs/dbraw/zinc/56/33/87/976563387.db2.gz BJYNBMCEBVHXIS-LBPRGKRZSA-N -1 0 346.452 3.859 20 0 EHADRM CC(C)c1ccc(NC(=O)c2ccc3c(c2)OCCO3)c(C(=O)[O-])c1 ZINC001591967550 976564662 /nfs/dbraw/zinc/56/46/62/976564662.db2.gz FQMKRQVNFPBTIV-UHFFFAOYSA-N -1 0 341.363 3.532 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)Nc1cc(C(=O)[O-])n(C)c1)CC2 ZINC001591973466 976575008 /nfs/dbraw/zinc/57/50/08/976575008.db2.gz AGFXDHSSQOKZJE-INIZCTEOSA-N -1 0 341.411 3.656 20 0 EHADRM CC(C)c1cccc(-c2ccc(C(=O)N[C@H](C(=O)[O-])C(C)C)o2)c1 ZINC001591982755 976599903 /nfs/dbraw/zinc/59/99/03/976599903.db2.gz FRJMEPFYEQLWCM-KRWDZBQOSA-N -1 0 329.396 3.909 20 0 EHADRM CC(C)c1cccc(C(=O)N[C@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC001591982722 976600367 /nfs/dbraw/zinc/60/03/67/976600367.db2.gz CAWCCVMGZMTKEW-DNVCBOLYSA-N -1 0 339.435 3.872 20 0 EHADRM CC(C)c1cccc(N(CCO)Cc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001591992224 976622559 /nfs/dbraw/zinc/62/25/59/976622559.db2.gz RXNHNAIKDUVJFJ-UHFFFAOYSA-N -1 0 331.387 3.646 20 0 EHADRM CC(C)c1cnc(CN[C@@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])o1 ZINC001592002785 976655575 /nfs/dbraw/zinc/65/55/75/976655575.db2.gz ICMLEBAVUNNJGK-KRWDZBQOSA-N -1 0 336.819 3.627 20 0 EHADRM CC(C)c1nc2cc(NC(=O)NCC(C)(C)CC(=O)[O-])ccc2o1 ZINC001592030327 976735074 /nfs/dbraw/zinc/73/50/74/976735074.db2.gz LULGYZNZIYDCFR-UHFFFAOYSA-N -1 0 333.388 3.574 20 0 EHADRM CC(C)c1nn(C)cc1NCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001592050196 976786692 /nfs/dbraw/zinc/78/66/92/976786692.db2.gz KGNAFCYJJKZAKA-UHFFFAOYSA-N -1 0 340.383 3.509 20 0 EHADRM CC(C)c1nnc(SCc2cccc(C(=O)[O-])c2Cl)n1C ZINC001592075317 976822840 /nfs/dbraw/zinc/82/28/40/976822840.db2.gz DBUSRIAESSQCHY-UHFFFAOYSA-N -1 0 325.821 3.582 20 0 EHADRM C[C@H](/C=C\C(=O)[O-])NC(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1 ZINC001592193916 977156032 /nfs/dbraw/zinc/15/60/32/977156032.db2.gz RYYNPLGFAAVDOC-GKPFQZBBSA-N -1 0 345.395 3.713 20 0 EHADRM C[C@@H](CC(=O)N1CCCc2nc(C(=O)[O-])ccc21)C1CCCCC1 ZINC001592236423 977445320 /nfs/dbraw/zinc/44/53/20/977445320.db2.gz PMEJFCOYPNEVLR-ZDUSSCGKSA-N -1 0 330.428 3.666 20 0 EHADRM C[C@@H](CC(=O)N[C@H](CC(C)(C)C)C(=O)[O-])Cc1ccc(Cl)cc1 ZINC001592242451 977461410 /nfs/dbraw/zinc/46/14/10/977461410.db2.gz IDODKTFMUCLHBH-IUODEOHRSA-N -1 0 339.863 3.914 20 0 EHADRM C[C@@H](CC(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-])C(F)(F)F ZINC001592261433 977502326 /nfs/dbraw/zinc/50/23/26/977502326.db2.gz CCQKMPQUNRULCD-YFKPBYRVSA-N -1 0 327.661 3.704 20 0 EHADRM C[C@H](CC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)Cc1ccc(Cl)cc1 ZINC001592261492 977503072 /nfs/dbraw/zinc/50/30/72/977503072.db2.gz DDIYZAFNLIGPBF-LJWYFPFNSA-N -1 0 349.858 3.524 20 0 EHADRM C[C@H](CC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)C1CCCCC1 ZINC001592268894 977525604 /nfs/dbraw/zinc/52/56/04/977525604.db2.gz KVKOKNQGGJYAPT-LLVKDONJSA-N -1 0 329.400 3.806 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(CC(=O)[O-])cc1)c1c[nH]c2ccccc21 ZINC001592269577 977529615 /nfs/dbraw/zinc/52/96/15/977529615.db2.gz MWUYPEKTYHAARE-CYBMUJFWSA-N -1 0 336.391 3.927 20 0 EHADRM C[C@@H](CC(=O)Nc1cccc(Cl)c1)Nc1cccc(CC(=O)[O-])c1 ZINC001592274260 977547316 /nfs/dbraw/zinc/54/73/16/977547316.db2.gz MGCJCWNRZYVEBF-LBPRGKRZSA-N -1 0 346.814 3.796 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)Nc1ccc(F)c(C(F)F)c1)C1CC1 ZINC001592296550 977627453 /nfs/dbraw/zinc/62/74/53/977627453.db2.gz BPRDWEQCPQVDFD-HNNXBMFYSA-N -1 0 330.306 3.528 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc3o[nH]c(=O)c3c2)cc1C(F)(F)F ZINC001211489583 1014419701 /nfs/dbraw/zinc/41/97/01/1014419701.db2.gz CVPOYTYMIVZKNN-UHFFFAOYSA-N -1 0 338.241 3.994 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1nc2cc(C(F)(F)F)ccc2s1 ZINC001592396533 977959624 /nfs/dbraw/zinc/95/96/24/977959624.db2.gz VZHDMFSJUCKAMW-SSDOTTSWSA-N -1 0 346.330 3.755 20 0 EHADRM C[C@@H](CC(=O)OC1CC(CC(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC001592429606 978056365 /nfs/dbraw/zinc/05/63/65/978056365.db2.gz OABXHDGJSAXAQD-IFQILLTASA-N -1 0 344.329 3.996 20 0 EHADRM C[C@@H](CC(=O)Oc1c(C(=O)[O-])ccc2ccccc21)[C@@H]1CCCO1 ZINC001592434356 978073878 /nfs/dbraw/zinc/07/38/78/978073878.db2.gz XXCQWEYQWBQNCL-LRDDRELGSA-N -1 0 328.364 3.649 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1 ZINC001592465696 978208668 /nfs/dbraw/zinc/20/86/68/978208668.db2.gz KEGNLJSUMVPLEO-CRAIPNDOSA-N -1 0 331.456 3.795 20 0 EHADRM Cc1nc2ccccc2cc1C(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000728154868 978293343 /nfs/dbraw/zinc/29/33/43/978293343.db2.gz RUSKSLMZYCEJEK-UHFFFAOYSA-N -1 0 348.402 3.660 20 0 EHADRM C[C@H](NC(=O)CC1(CC(=O)[O-])CCCC1)c1nc2ccccc2s1 ZINC000734158507 978300323 /nfs/dbraw/zinc/30/03/23/978300323.db2.gz OEFMSTUTNNPFOU-LBPRGKRZSA-N -1 0 346.452 3.899 20 0 EHADRM C[C@H](C(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1cccc(Cl)c1 ZINC000736213357 978309776 /nfs/dbraw/zinc/30/97/76/978309776.db2.gz ZDCIRIWQSKFBHL-NSHDSACASA-N -1 0 329.783 3.684 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@H](C)Cc1ccccc1F)c1ccccc1 ZINC000736850370 978362064 /nfs/dbraw/zinc/36/20/64/978362064.db2.gz WDUAVELPVHCAMM-RDTXWAMCSA-N -1 0 343.398 3.901 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1ccc(OC)c2cccnc12 ZINC000547631379 1014484344 /nfs/dbraw/zinc/48/43/44/1014484344.db2.gz NEFASIFUONJWRH-UHFFFAOYSA-N -1 0 342.420 3.607 20 0 EHADRM C[C@@H](CCSc1ccccc1)OC(=O)c1cncc(C(=O)[O-])c1 ZINC001592538229 978414384 /nfs/dbraw/zinc/41/43/84/978414384.db2.gz SEFLZCVBTSZBOP-LBPRGKRZSA-N -1 0 331.393 3.508 20 0 EHADRM C[C@@H](CN(C(=O)CSc1ccc(C(C)(C)C)cc1)C1CC1)C(=O)[O-] ZINC001592556499 978444550 /nfs/dbraw/zinc/44/45/50/978444550.db2.gz XEIKERVBRUREIM-ZDUSSCGKSA-N -1 0 349.496 3.788 20 0 EHADRM C[C@@H](CN(C(=O)C1(c2ccccc2)CCCCCC1)C1CC1)C(=O)[O-] ZINC001592557828 978448669 /nfs/dbraw/zinc/44/86/69/978448669.db2.gz SOUVXRUAWMSKJO-INIZCTEOSA-N -1 0 343.467 3.990 20 0 EHADRM CC(C)c1cc(C(=O)N(C[C@H](C)C(=O)[O-])C2CC2)c(O)c(C(C)C)c1 ZINC001592562699 978450653 /nfs/dbraw/zinc/45/06/53/978450653.db2.gz IADHTENUSBTSHY-ZDUSSCGKSA-N -1 0 347.455 3.964 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@@H]2CCSc3ccccc32)c(F)c1 ZINC000739467152 978641691 /nfs/dbraw/zinc/64/16/91/978641691.db2.gz MFLVCYILITXMMN-CYBMUJFWSA-N -1 0 346.383 3.883 20 0 EHADRM Cc1cc(C)c(/C=C\C(=O)Nc2cccc(OCC(=O)[O-])c2)cc1C ZINC000746372080 978684020 /nfs/dbraw/zinc/68/40/20/978684020.db2.gz IASYBXVFADDZCA-FPLPWBNLSA-N -1 0 339.391 3.727 20 0 EHADRM CCc1ccc(C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)s1 ZINC000746377478 978684936 /nfs/dbraw/zinc/68/49/36/978684936.db2.gz UCNLEJYDWUCZIY-UHFFFAOYSA-N -1 0 337.828 3.691 20 0 EHADRM Cc1cc(Cl)c(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)cc1C ZINC000761622340 978712009 /nfs/dbraw/zinc/71/20/09/978712009.db2.gz YTULAGINPQDPMR-INIZCTEOSA-N -1 0 331.799 3.855 20 0 EHADRM C/C(=C/c1cccc(Cl)c1)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000761743648 978714597 /nfs/dbraw/zinc/71/45/97/978714597.db2.gz DMCJXOKIJWNKNJ-OJNOIJSXSA-N -1 0 343.810 3.728 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)/C=C\c1ccc(Cl)cc1)c1ccccc1 ZINC000767067650 978732518 /nfs/dbraw/zinc/73/25/18/978732518.db2.gz OLHIRMJSKQKZBM-XXEMMNBPSA-N -1 0 343.810 3.931 20 0 EHADRM COc1ccc(C[C@@H](C)C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000776641073 978764348 /nfs/dbraw/zinc/76/43/48/978764348.db2.gz QJSKWPDMDOTPQN-LLVKDONJSA-N -1 0 347.798 3.864 20 0 EHADRM Cc1cc(C)c(/C=C\C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1C ZINC000777364883 978776838 /nfs/dbraw/zinc/77/68/38/978776838.db2.gz FWQVMAAMEJRNTJ-GWQNQTGSSA-N -1 0 349.430 3.836 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cc(Cl)c(Cl)n1C ZINC000788091999 978796892 /nfs/dbraw/zinc/79/68/92/978796892.db2.gz XADQAHCALKLADI-UHFFFAOYSA-N -1 0 341.194 3.899 20 0 EHADRM COCc1cc(NC(=O)/C=C(\C)c2ccccc2)cc(C(=O)[O-])c1 ZINC000794003174 978812061 /nfs/dbraw/zinc/81/20/61/978812061.db2.gz PWPVWYGQNQYQIK-MDWZMJQESA-N -1 0 325.364 3.573 20 0 EHADRM CCc1ccc(N(CC(C)C)C(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC000797345921 978833060 /nfs/dbraw/zinc/83/30/60/978833060.db2.gz VWXCALKKZNOZKH-UHFFFAOYSA-N -1 0 326.396 3.645 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)NCc2ccc(F)c(Cl)c2)c1 ZINC000811814420 978857426 /nfs/dbraw/zinc/85/74/26/978857426.db2.gz JCRJJUUQVAUVLD-UHFFFAOYSA-N -1 0 342.153 3.761 20 0 EHADRM CCc1nc([C@H](C)NC(=O)c2cc(C(=O)[O-])ccc2Cl)cs1 ZINC000811817471 978861780 /nfs/dbraw/zinc/86/17/80/978861780.db2.gz VJJKNKIORFCZPB-QMMMGPOBSA-N -1 0 338.816 3.548 20 0 EHADRM CCS[C@@H]1CC[C@H](N(C)C(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000811820986 978864957 /nfs/dbraw/zinc/86/49/57/978864957.db2.gz RQFJKTPKIAFDRV-NWDGAFQWSA-N -1 0 341.860 3.784 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc2cc(OC)ccc2c1)C(=O)[O-] ZINC000818624566 978920944 /nfs/dbraw/zinc/92/09/44/978920944.db2.gz ZJIUTWRHDZBXDT-UHFFFAOYSA-N -1 0 344.411 3.861 20 0 EHADRM CC(C)CN(C(=O)c1cccc(C(=O)[O-])n1)c1ccc(Cl)cc1 ZINC000826865697 978950406 /nfs/dbraw/zinc/95/04/06/978950406.db2.gz SEAQVPYBMAUYRM-UHFFFAOYSA-N -1 0 332.787 3.736 20 0 EHADRM CCOc1c(F)cccc1C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000830027256 979011507 /nfs/dbraw/zinc/01/15/07/979011507.db2.gz UXLLPLNWTQRBHT-UHFFFAOYSA-N -1 0 332.331 3.591 20 0 EHADRM CSCCCC(=O)Nc1c(C)c(Br)ccc1C(=O)[O-] ZINC000832762894 979048864 /nfs/dbraw/zinc/04/88/64/979048864.db2.gz GZNDSXYZKYURIJ-UHFFFAOYSA-N -1 0 346.246 3.537 20 0 EHADRM C[C@H](CNC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21)C(C)(C)C ZINC001592672257 979075282 /nfs/dbraw/zinc/07/52/82/979075282.db2.gz AZQWDQBBZWGASS-CJNGLKHVSA-N -1 0 346.471 3.786 20 0 EHADRM CC[C@@H](C)n1nc(C(=O)NC[C@@H](C(=O)[O-])C2CCCCCC2)cc1C ZINC001595023516 979115679 /nfs/dbraw/zinc/11/56/79/979115679.db2.gz UCFVLHWENXJCHV-CZUORRHYSA-N -1 0 349.475 3.564 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1C ZINC001595025700 979131178 /nfs/dbraw/zinc/13/11/78/979131178.db2.gz BCPPEDJPNHRKNY-VIFPVBQESA-N -1 0 334.351 3.644 20 0 EHADRM CC[C@@H](C)n1ncc(NC(=O)Nc2ccc(C(=O)[O-])c(OC)c2)c1C ZINC001595026007 979133467 /nfs/dbraw/zinc/13/34/67/979133467.db2.gz DRCZJRWHHUUFHR-SNVBAGLBSA-N -1 0 346.387 3.513 20 0 EHADRM CC[C@@H](CC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C)c1ccccc1 ZINC001595036662 979198813 /nfs/dbraw/zinc/19/88/13/979198813.db2.gz HXRIXYJARCAHRA-AWEZNQCLSA-N -1 0 340.423 3.973 20 0 EHADRM CCC(CC)(C(=O)OCc1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC001595047850 979261163 /nfs/dbraw/zinc/26/11/63/979261163.db2.gz MCYDVUUGFHXIAH-UHFFFAOYSA-N -1 0 327.380 3.581 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1ccc(Cl)c(N(C)C)c1 ZINC001595049858 979276297 /nfs/dbraw/zinc/27/62/97/979276297.db2.gz HPTJLLBZUGXUJO-UHFFFAOYSA-N -1 0 341.839 3.561 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cc(C(F)(F)F)ccc1NC ZINC001595053791 979289732 /nfs/dbraw/zinc/28/97/32/979289732.db2.gz ZHJNZCBOKVAQBD-UHFFFAOYSA-N -1 0 346.349 3.510 20 0 EHADRM CCC(CC)(CCOC(=O)c1coc(-c2ccccc2)n1)C(=O)[O-] ZINC001595059586 979308677 /nfs/dbraw/zinc/30/86/77/979308677.db2.gz GUAZSEBVKAYSFI-UHFFFAOYSA-N -1 0 331.368 3.780 20 0 EHADRM CCC(CC)(NC(=O)CCSc1cccc(Cl)c1)C(=O)[O-] ZINC001595090989 979383876 /nfs/dbraw/zinc/38/38/76/979383876.db2.gz SUORNAHAOWEMTI-UHFFFAOYSA-N -1 0 329.849 3.582 20 0 EHADRM O=C([O-])CCCC(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000844244136 979389607 /nfs/dbraw/zinc/38/96/07/979389607.db2.gz AYDRMFGNAIYZMT-INIZCTEOSA-N -1 0 337.828 3.862 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)/C=C/C2CCCC2)cc1 ZINC000846116362 979405677 /nfs/dbraw/zinc/40/56/77/979405677.db2.gz GIBUTBKSUOAEBE-RFKZRZAASA-N -1 0 333.453 3.787 20 0 EHADRM CCC(CC)CCCN(C)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001595110105 979451578 /nfs/dbraw/zinc/45/15/78/979451578.db2.gz YHGGSACMAFNVIZ-UHFFFAOYSA-N -1 0 326.481 3.879 20 0 EHADRM CCC(CC)N(CC(C)C)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001595114389 979464230 /nfs/dbraw/zinc/46/42/30/979464230.db2.gz ITCFZGCMZVVIHA-UHFFFAOYSA-N -1 0 326.481 3.878 20 0 EHADRM CCC(CC)N(CCOC)C(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001595114652 979466451 /nfs/dbraw/zinc/46/64/51/979466451.db2.gz WACAIFCGMLOUOT-UHFFFAOYSA-N -1 0 342.461 3.732 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)o1 ZINC000851593854 979503591 /nfs/dbraw/zinc/50/35/91/979503591.db2.gz DVOKMZWGDMJJOS-MFLSKIGUSA-N -1 0 339.391 3.519 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1ccc(/C=C/C(=O)[O-])o1)Cc1ccccc1 ZINC000851606632 979531738 /nfs/dbraw/zinc/53/17/38/979531738.db2.gz VKDRZTLHJDKRJY-PXUDHTSWSA-N -1 0 341.407 3.622 20 0 EHADRM C[C@H](CSCC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001592824203 979536868 /nfs/dbraw/zinc/53/68/68/979536868.db2.gz HLOCQRYLIPZZKL-CYBMUJFWSA-N -1 0 329.421 3.860 20 0 EHADRM C[C@H](CSCc1ccccc1)C(=O)Oc1ccc(C(=O)[O-])cc1 ZINC001592826357 979550367 /nfs/dbraw/zinc/55/03/67/979550367.db2.gz ZVBBZJWCUPPBBT-CYBMUJFWSA-N -1 0 330.405 3.860 20 0 EHADRM C[C@@H](CSc1ccc(F)cc1)C(=O)N[C@H](CC(C)(C)C)C(=O)[O-] ZINC001592830085 979552369 /nfs/dbraw/zinc/55/23/69/979552369.db2.gz GZUIMJCEZXCWCZ-SMDDNHRTSA-N -1 0 341.448 3.560 20 0 EHADRM CC[C@H](CNC(=O)C1(c2ccc(Cl)cc2)CCCCC1)C(=O)[O-] ZINC001595137857 979580868 /nfs/dbraw/zinc/58/08/68/979580868.db2.gz CHKUSCWOKTVNOM-CYBMUJFWSA-N -1 0 337.847 3.769 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2scnc2C(C)C)c(C)c1 ZINC000579796861 1014586583 /nfs/dbraw/zinc/58/65/83/1014586583.db2.gz IXUMOWDNUBKGEQ-UHFFFAOYSA-N -1 0 340.470 3.693 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CCC[C@H]2c2ccccc2)Cc2ccccc21 ZINC000852957284 979590292 /nfs/dbraw/zinc/59/02/92/979590292.db2.gz MUAVOTUEXSQDNR-YSIASYRMSA-N -1 0 349.430 3.781 20 0 EHADRM CC[C@@](CNC(=O)Nc1cc(C)ccc1F)(C(=O)[O-])c1ccccc1 ZINC001595152518 979647813 /nfs/dbraw/zinc/64/78/13/979647813.db2.gz LFVADAHNHWXZKG-IBGZPJMESA-N -1 0 344.386 3.688 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)CCCc2ccsc2)cc1)C(=O)[O-] ZINC001592858947 979678825 /nfs/dbraw/zinc/67/88/25/979678825.db2.gz NVRSZIBJBFVMAW-ZDUSSCGKSA-N -1 0 331.437 3.973 20 0 EHADRM CC[C@H](CNC(=O)c1ccc(-c2ccc(Cl)cc2)s1)C(=O)[O-] ZINC001595160919 979689808 /nfs/dbraw/zinc/68/98/08/979689808.db2.gz YEIYGLNUPDEWCU-SNVBAGLBSA-N -1 0 337.828 3.909 20 0 EHADRM CC[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000864104949 979691104 /nfs/dbraw/zinc/69/11/04/979691104.db2.gz WULRHJYXHXYMDT-RDFMZFSFSA-N -1 0 331.393 3.589 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)/C=C/c2cc(C(=O)[O-])co2)o1 ZINC000864112512 979704203 /nfs/dbraw/zinc/70/42/03/979704203.db2.gz ITTXXVBLWMKVMH-QTYSSTRNSA-N -1 0 343.379 3.892 20 0 EHADRM CCc1cc2c(CC(=O)NC(C)(C)CCC(=O)[O-])csc2s1 ZINC000864116587 979709362 /nfs/dbraw/zinc/70/93/62/979709362.db2.gz SZTQXRGPVLCYGT-UHFFFAOYSA-N -1 0 339.482 3.827 20 0 EHADRM Cc1ccc(C)c([C@@H]2CCCN2C(=O)/C=C\c2cc(C(=O)[O-])co2)c1 ZINC000864130016 979731057 /nfs/dbraw/zinc/73/10/57/979731057.db2.gz QLBGDGZCKROUMY-ZEVQVBBLSA-N -1 0 339.391 3.972 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)NCC[C@@]2(C)CC2(F)F)cc1)C(=O)[O-] ZINC001592873924 979738025 /nfs/dbraw/zinc/73/80/25/979738025.db2.gz WRTWLXOBXCTGIV-ZBEGNZNMSA-N -1 0 340.370 3.507 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)C2([C@@H]3CCCCO3)CCC2)cc1)C(=O)[O-] ZINC000864135691 979738289 /nfs/dbraw/zinc/73/82/89/979738289.db2.gz OOZLFHIKCOXCCC-YOEHRIQHSA-N -1 0 345.439 3.628 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)CCc2ccc(F)c3ccccc23)C1 ZINC000864148214 979754555 /nfs/dbraw/zinc/75/45/55/979754555.db2.gz FMPXLRMOUHYWFW-HXUWFJFHSA-N -1 0 343.398 3.625 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)CCc2ccc(F)c3ccccc23)C1 ZINC000864148212 979754568 /nfs/dbraw/zinc/75/45/68/979754568.db2.gz FMPXLRMOUHYWFW-FQEVSTJZSA-N -1 0 343.398 3.625 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC001592885442 979769195 /nfs/dbraw/zinc/76/91/95/979769195.db2.gz NKELRAQQRWJWBH-GFCCVEGCSA-N -1 0 332.783 3.751 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)NC1(CCC(=O)[O-])CCCCC1 ZINC001592886176 979773251 /nfs/dbraw/zinc/77/32/51/979773251.db2.gz YVGKUVRBWQQMDD-AWEZNQCLSA-N -1 0 335.419 3.688 20 0 EHADRM C[C@](Cc1ccccc1)(NC(=O)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC001592892372 979791942 /nfs/dbraw/zinc/79/19/42/979791942.db2.gz WEKQAMRDJKKIMR-OAQYLSRUSA-N -1 0 349.386 3.866 20 0 EHADRM Cc1cc2[nH]c(C(=O)N3CC[C@H](C(=O)[O-])[C@@H]4CCC[C@@H]43)cc2c(C)c1 ZINC000864174147 979810568 /nfs/dbraw/zinc/81/05/68/979810568.db2.gz DJJXRQYWCLFCIA-DEYYWGMASA-N -1 0 340.423 3.500 20 0 EHADRM C[C@H](Cc1ccco1)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001592899197 979813757 /nfs/dbraw/zinc/81/37/57/979813757.db2.gz DLFFTXXJFJVQCF-MRVPVSSYSA-N -1 0 325.723 3.588 20 0 EHADRM CC[C@H](COC(=O)c1cnc(-c2ccccc2Cl)s1)C(=O)[O-] ZINC001595183660 979819828 /nfs/dbraw/zinc/81/98/28/979819828.db2.gz QSUKMAQRAAAFMQ-SECBINFHSA-N -1 0 339.800 3.731 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000864178206 979823792 /nfs/dbraw/zinc/82/37/92/979823792.db2.gz ZFGRQBHXGVAGNL-XXUXLKQBSA-N -1 0 339.391 3.784 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)o1 ZINC000864179757 979827001 /nfs/dbraw/zinc/82/70/01/979827001.db2.gz DGQINBPGDLJNOK-SLWQEBJJSA-N -1 0 343.354 3.884 20 0 EHADRM Cc1ccsc1C(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000864197282 979864488 /nfs/dbraw/zinc/86/44/88/979864488.db2.gz XCRFGGOZNXWUAR-MRXNPFEDSA-N -1 0 337.828 3.526 20 0 EHADRM Cc1c(C(=O)N[C@@](C)(CC(=O)[O-])C2CC2)oc2c1c(C)ccc2C ZINC000864198673 979871092 /nfs/dbraw/zinc/87/10/92/979871092.db2.gz JIWBPJFQSBCOAX-IBGZPJMESA-N -1 0 329.396 3.731 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000864227073 979914608 /nfs/dbraw/zinc/91/46/08/979914608.db2.gz USPCHNSZRMKZAQ-YUELXQCFSA-N -1 0 341.432 3.765 20 0 EHADRM CC[C@H](CSC)NC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001595203098 979961378 /nfs/dbraw/zinc/96/13/78/979961378.db2.gz JWLLLFAGIFBPCM-SNVBAGLBSA-N -1 0 338.454 3.863 20 0 EHADRM CC(C)(CNC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)C(C)(F)F ZINC001592934113 979990597 /nfs/dbraw/zinc/99/05/97/979990597.db2.gz DEEATNMRUGOXRK-UHFFFAOYSA-N -1 0 339.342 3.669 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC001595219258 980037812 /nfs/dbraw/zinc/03/78/12/980037812.db2.gz NDZVSWSGMGGEKF-CYBMUJFWSA-N -1 0 327.380 3.606 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-] ZINC001595219945 980042915 /nfs/dbraw/zinc/04/29/15/980042915.db2.gz UCIBTHUNDXCGKI-SYNHAJSKSA-N -1 0 331.456 3.713 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)Nc1nc(C)c(C(=O)[O-])s1 ZINC001595219924 980042952 /nfs/dbraw/zinc/04/29/52/980042952.db2.gz SMRDGQINTJBORM-LBPRGKRZSA-N -1 0 332.425 3.666 20 0 EHADRM Cc1occ(C(F)(F)F)c1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000872718694 980099135 /nfs/dbraw/zinc/09/91/35/980099135.db2.gz DIEQKHCDNOHFFT-UHFFFAOYSA-N -1 0 341.285 3.876 20 0 EHADRM COc1ccc2c(c1)CC[C@H]2C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000872731259 980123163 /nfs/dbraw/zinc/12/31/63/980123163.db2.gz ZNIQBMBKBHXREY-KPZWWZAWSA-N -1 0 339.391 3.552 20 0 EHADRM CC[C@@](NC(=O)[C@@H](C)c1ccc(F)cc1F)(C(=O)[O-])c1ccccc1 ZINC001595232859 980127954 /nfs/dbraw/zinc/12/79/54/980127954.db2.gz KNUSYTRLWAXNNH-BUXKBTBVSA-N -1 0 347.361 3.575 20 0 EHADRM CC[C@](NC(=O)[C@H]1C[C@@H]1C1CCCC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595236594 980136738 /nfs/dbraw/zinc/13/67/38/980136738.db2.gz JPUBKHCKBPLPFO-JTDSTZFVSA-N -1 0 349.858 3.972 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)Nc1ccc(C)c(C(F)(F)F)c1)C(=O)[O-] ZINC000321392553 1014633365 /nfs/dbraw/zinc/63/33/65/1014633365.db2.gz YNCSGODOKDWVGH-QPUJVOFHSA-N -1 0 332.322 3.635 20 0 EHADRM C[C@H](NC(=O)C(C)(C)CC(C)(C)C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001592989894 980175807 /nfs/dbraw/zinc/17/58/07/980175807.db2.gz LDYVSAXPFSEMEG-GOEBONIOSA-N -1 0 333.472 3.897 20 0 EHADRM CC[C@H](NC(=O)N1CCC(CC(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC001595247620 980192890 /nfs/dbraw/zinc/19/28/90/980192890.db2.gz QUBGMGISNLLNKG-HNNXBMFYSA-N -1 0 338.835 3.687 20 0 EHADRM O=C([O-])c1ccc([C@H]2Nc3c4ccccc4sc3C(=O)N2)cc1F ZINC000877852810 980204189 /nfs/dbraw/zinc/20/41/89/980204189.db2.gz DZUPVMCJVANEIY-HNNXBMFYSA-N -1 0 342.351 3.593 20 0 EHADRM CC[C@@H](NC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)[C@@H]1CCCO1 ZINC001595251730 980213413 /nfs/dbraw/zinc/21/34/13/980213413.db2.gz CXWDTXDXYQNRAH-SJORKVTESA-N -1 0 342.395 3.617 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCC=CCCC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593002675 980216299 /nfs/dbraw/zinc/21/62/99/980216299.db2.gz KOVAILHQQPLLOW-RYQLBKOJSA-N -1 0 329.440 3.571 20 0 EHADRM CC[C@@H](NC(=O)NCc1ccc(C(=O)[O-])cc1F)C1CCCCC1 ZINC001595252508 980220143 /nfs/dbraw/zinc/22/01/43/980220143.db2.gz GMNRBPUQFKPJMK-MRXNPFEDSA-N -1 0 336.407 3.682 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)cc1 ZINC000899294401 980224718 /nfs/dbraw/zinc/22/47/18/980224718.db2.gz AVIIRUPILGCVLY-HPEXNQPKSA-N -1 0 345.345 3.895 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccccc2Oc2ccccn2)C1 ZINC000899843150 980232447 /nfs/dbraw/zinc/23/24/47/980232447.db2.gz PPECHNIHAGZDJS-KGLIPLIRSA-N -1 0 340.379 3.703 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F)[C@@H]1CC1(C)C ZINC001595257324 980244736 /nfs/dbraw/zinc/24/47/36/980244736.db2.gz RBMMILILUZHDBA-WPRPVWTQSA-N -1 0 326.343 3.609 20 0 EHADRM CC[C@@H](NC(=O)c1c(F)cccc1Sc1ccccc1)C(=O)[O-] ZINC001595263210 980266877 /nfs/dbraw/zinc/26/68/77/980266877.db2.gz GNLOAOVIMXSKTH-CYBMUJFWSA-N -1 0 333.384 3.570 20 0 EHADRM Cc1ncc(CN(C)Cc2ccc(C(=O)[O-])cc2C(F)(F)F)s1 ZINC000901425195 980270921 /nfs/dbraw/zinc/27/09/21/980270921.db2.gz WUELNLFLBZQZMZ-UHFFFAOYSA-N -1 0 344.358 3.801 20 0 EHADRM CCOC[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2C(F)(F)F)C1 ZINC000901431482 980280041 /nfs/dbraw/zinc/28/00/41/980280041.db2.gz ODTYARQTUQQODP-LBPRGKRZSA-N -1 0 345.361 3.652 20 0 EHADRM CC[C@@](NC(=O)c1ccc(F)c(C)c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595269183 980283591 /nfs/dbraw/zinc/28/35/91/980283591.db2.gz QJHZOXJDGLZASR-SFHVURJKSA-N -1 0 349.789 3.907 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(/C=C/C(=O)[O-])o1)c1ccc(F)cc1F ZINC001595269287 980285207 /nfs/dbraw/zinc/28/52/07/980285207.db2.gz YCJRSGDVDXLPEA-LHRNQBEKSA-N -1 0 335.306 3.537 20 0 EHADRM O=C([O-])/C=C\c1ccc(CN2CCO[C@H](c3cccc(Cl)c3)C2)o1 ZINC000901450628 980292565 /nfs/dbraw/zinc/29/25/65/980292565.db2.gz WODAUXWFLCAMEY-TUYSUELWSA-N -1 0 347.798 3.604 20 0 EHADRM CC[C@@H](N[C@H](C)c1cc(C(=O)[O-])cs1)c1nnc2n1CCCCC2 ZINC001595278402 980310481 /nfs/dbraw/zinc/31/04/81/980310481.db2.gz DEVGOGVJOSCJIA-DGCLKSJQSA-N -1 0 348.472 3.566 20 0 EHADRM Cc1nn2c(nc(C(C)C)c2CNc2cccc(C(=O)[O-])c2)s1 ZINC000901486878 980310945 /nfs/dbraw/zinc/31/09/45/980310945.db2.gz UYBIOHFROWOGBZ-UHFFFAOYSA-N -1 0 330.413 3.533 20 0 EHADRM C[C@H](NC(=O)CSCc1csc(C(=O)[O-])c1)c1cccs1 ZINC001593036480 980314299 /nfs/dbraw/zinc/31/42/99/980314299.db2.gz NFWAXBVGZLLWEG-VIFPVBQESA-N -1 0 341.479 3.618 20 0 EHADRM COC[C@H](Cc1ccccc1)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000901511821 980328776 /nfs/dbraw/zinc/32/87/76/980328776.db2.gz BYCWYKXRYNRUCG-SFHVURJKSA-N -1 0 327.424 3.718 20 0 EHADRM O=C([O-])[C@@]1(F)CCN(Cc2ccc(Sc3ccccc3)cc2)C1 ZINC000901518044 980335569 /nfs/dbraw/zinc/33/55/69/980335569.db2.gz KOEGFEAIYIINMD-GOSISDBHSA-N -1 0 331.412 3.836 20 0 EHADRM CCO[P@](C)(=O)CC[C@@H](C)Nc1cccc(CCC(=O)[O-])c1 ZINC000901554948 980380578 /nfs/dbraw/zinc/38/05/78/980380578.db2.gz JEFFYNCGSOXLSB-DMZKTXOQSA-N -1 0 327.361 3.839 20 0 EHADRM COCC[N@H+](CCC(=O)[O-])Cc1c(Cl)cccc1SC(C)C ZINC000901660556 980431481 /nfs/dbraw/zinc/43/14/81/980431481.db2.gz CXYBZOJBLMDMDA-UHFFFAOYSA-N -1 0 345.892 3.764 20 0 EHADRM CC[C@](NCc1csc(Cl)n1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595305281 980444075 /nfs/dbraw/zinc/44/40/75/980444075.db2.gz MWMGZJFKFWPSBU-CQSZACIVSA-N -1 0 345.251 3.930 20 0 EHADRM CC[C@@](NCc1nccc(Cl)c1Cl)(C(=O)[O-])c1ccccc1 ZINC001595306213 980456209 /nfs/dbraw/zinc/45/62/09/980456209.db2.gz WOYYUJWLEYDYFB-INIZCTEOSA-N -1 0 339.222 3.868 20 0 EHADRM CCn1nc(CNc2cc(COC)cc(C(=O)[O-])c2)c2ccccc21 ZINC000901738620 980472040 /nfs/dbraw/zinc/47/20/40/980472040.db2.gz URSZDOMEZWYBBQ-UHFFFAOYSA-N -1 0 339.395 3.513 20 0 EHADRM CC[C@H](Nc1ccccc1)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001595318405 980500114 /nfs/dbraw/zinc/50/01/14/980500114.db2.gz KVSATNUBLLMVMU-KSZLIROESA-N -1 0 338.407 3.704 20 0 EHADRM CC1(C)C[C@H](Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)CCO1 ZINC000901777487 980508469 /nfs/dbraw/zinc/50/84/69/980508469.db2.gz SIRNUPIINPVWDO-OAHLLOKOSA-N -1 0 332.444 3.745 20 0 EHADRM COc1cc(OC)c(CNc2cccc([C@@H](C)C(=O)[O-])c2)c(OC)c1 ZINC000901815101 980536092 /nfs/dbraw/zinc/53/60/92/980536092.db2.gz IOCIMXUYTOZZKV-GFCCVEGCSA-N -1 0 345.395 3.513 20 0 EHADRM CC[C@@H](OC(=O)/C(=C\c1ccccc1OC)c1ccccc1)C(=O)[O-] ZINC001595331529 980571514 /nfs/dbraw/zinc/57/15/14/980571514.db2.gz GBAGLBNBJPKTOJ-VZVUQDNOSA-N -1 0 340.375 3.642 20 0 EHADRM CC[C@@H](OC(=O)c1c(C)coc1CC(=O)[O-])c1cccc(OC)c1 ZINC001595344425 980626953 /nfs/dbraw/zinc/62/69/53/980626953.db2.gz KPDRARKBCKJWMI-CQSZACIVSA-N -1 0 332.352 3.532 20 0 EHADRM Cc1cc(CNCc2cc(Cl)ccc2OC(F)F)oc1C(=O)[O-] ZINC000901942590 980642799 /nfs/dbraw/zinc/64/27/99/980642799.db2.gz KQYSUJKQUPWCAB-UHFFFAOYSA-N -1 0 345.729 3.831 20 0 EHADRM CC[C@H](OC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC001595351395 980656399 /nfs/dbraw/zinc/65/63/99/980656399.db2.gz CMNHLLADEUZQQW-HNNXBMFYSA-N -1 0 346.766 3.591 20 0 EHADRM CC[C@@H](OC(=O)c1cccc(CC(=O)[O-])c1)c1ccnc(Cl)c1 ZINC001595351517 980658311 /nfs/dbraw/zinc/65/83/11/980658311.db2.gz FYKNHWMGUYLJJQ-CQSZACIVSA-N -1 0 333.771 3.670 20 0 EHADRM CC[C@@H](OC(=O)c1csc(N(C)c2ccccc2)n1)[C@@H](C)C(=O)[O-] ZINC001595354488 980692054 /nfs/dbraw/zinc/69/20/54/980692054.db2.gz XQKSQOJFHXBSOD-BXUZGUMPSA-N -1 0 348.424 3.567 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001595354958 980697687 /nfs/dbraw/zinc/69/76/87/980697687.db2.gz JMKBPQGYRWEEBV-BJJXKVORSA-N -1 0 349.427 3.706 20 0 EHADRM CC[C@@H](Oc1ccccc1Cl)C(=O)NC(CC)(CC)CC(=O)[O-] ZINC001595356389 980711408 /nfs/dbraw/zinc/71/14/08/980711408.db2.gz CZPOZKOGFOTULC-CYBMUJFWSA-N -1 0 341.835 3.647 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC001595356498 980712688 /nfs/dbraw/zinc/71/26/88/980712688.db2.gz LFZGALHKVGCJJO-MSOLQXFVSA-N -1 0 347.455 3.692 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC001595358210 980729854 /nfs/dbraw/zinc/72/98/54/980729854.db2.gz FORWWKHYKZGRPH-SJORKVTESA-N -1 0 343.448 3.842 20 0 EHADRM CC[C@@H](c1ccccc1)[C@@H]1CCCN1c1nc(C)cc(C(=O)[O-])n1 ZINC001595360388 980751220 /nfs/dbraw/zinc/75/12/20/980751220.db2.gz VWUBDVSYDCZRLZ-RDJZCZTQSA-N -1 0 325.412 3.646 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccc2ncccc2c1 ZINC001595361166 980759178 /nfs/dbraw/zinc/75/91/78/980759178.db2.gz UHJGRVYXETVLGE-LJQANCHMSA-N -1 0 348.402 3.913 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)OCCc1ccccc1 ZINC001595361593 980763218 /nfs/dbraw/zinc/76/32/18/980763218.db2.gz KBNQBUCSKLOKCI-GOSISDBHSA-N -1 0 341.407 3.904 20 0 EHADRM CCC1(C(=O)N2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)CCCC1 ZINC001595365017 980799631 /nfs/dbraw/zinc/79/96/31/980799631.db2.gz GTXMSDGWNWYFKP-LBPRGKRZSA-N -1 0 336.457 3.518 20 0 EHADRM CCC1(CC)CN(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC001595375901 980900857 /nfs/dbraw/zinc/90/08/57/980900857.db2.gz YECOXXCYQDYUBI-UHFFFAOYSA-N -1 0 345.443 3.639 20 0 EHADRM CC(C)C(=O)c1ccc([C@@H](C)C(=O)NC2(CC(=O)[O-])CCCC2)cc1 ZINC000902768807 980944226 /nfs/dbraw/zinc/94/42/26/980944226.db2.gz QSXKOQFWCPXYRN-CQSZACIVSA-N -1 0 345.439 3.533 20 0 EHADRM CCC1(c2ccccc2)CN(C(=O)Nc2ccc(C(=O)[O-])cc2C)C1 ZINC001595397222 980963638 /nfs/dbraw/zinc/96/36/38/980963638.db2.gz GIFUHBNWFZAMJX-UHFFFAOYSA-N -1 0 338.407 3.889 20 0 EHADRM CCC1=C(C(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)CCCO1 ZINC001595399661 980972689 /nfs/dbraw/zinc/97/26/89/980972689.db2.gz VXMNNVBDLXBJEQ-HNNXBMFYSA-N -1 0 337.460 3.781 20 0 EHADRM CC[C@H]1[C@H](C)CCN1C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001595404954 980984244 /nfs/dbraw/zinc/98/42/44/980984244.db2.gz NMOSJQWHFBDQAP-DOMZBBRYSA-N -1 0 336.457 3.906 20 0 EHADRM CC[C@H]1C[C@@H](C(=O)Oc2cccc3c(CC(=O)[O-])cccc23)CCO1 ZINC001595408931 981003349 /nfs/dbraw/zinc/00/33/49/981003349.db2.gz PFYUFGWVNCDTDG-GJZGRUSLSA-N -1 0 342.391 3.578 20 0 EHADRM CC[C@@H]1CCC[C@H](CNc2ccc(C(=O)NCCC(=O)[O-])cc2)C1 ZINC001595432070 981055874 /nfs/dbraw/zinc/05/58/74/981055874.db2.gz IKECSHDOWYSFJA-CABCVRRESA-N -1 0 332.444 3.519 20 0 EHADRM CC[C@@H]1CCC[C@@H]1C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC001595435398 981064275 /nfs/dbraw/zinc/06/42/75/981064275.db2.gz JJFLWLXGVQNKOE-KOLCDFICSA-N -1 0 333.413 3.601 20 0 EHADRM CC[C@@H]1CCC[C@]1(C)C(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)[O-] ZINC001595435382 981064311 /nfs/dbraw/zinc/06/43/11/981064311.db2.gz JINXSENMDDGYPG-HLIPFELVSA-N -1 0 331.456 3.571 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001595439035 981073805 /nfs/dbraw/zinc/07/38/05/981073805.db2.gz BNHWMYRXBNIJSG-BZUAXINKSA-N -1 0 338.492 3.735 20 0 EHADRM CC[C@@H]1CCCC[C@H]1OCC(=O)OC1CCC(CC(=O)[O-])CC1 ZINC001595448487 981098852 /nfs/dbraw/zinc/09/88/52/981098852.db2.gz RBCMQKULOMRQJJ-GYTBAZASSA-N -1 0 326.433 3.549 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001595448498 981099312 /nfs/dbraw/zinc/09/93/12/981099312.db2.gz RNHVAONYKPCIDN-OLZOCXBDSA-N -1 0 339.457 3.987 20 0 EHADRM CC[C@H]1CCC[C@H]1CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001595459243 981137002 /nfs/dbraw/zinc/13/70/02/981137002.db2.gz XZKJSSCILUINFG-UWVGGRQHSA-N -1 0 326.343 3.611 20 0 EHADRM CC[C@@H]1CCCc2sc(NC(=O)c3c(C)[nH]c(C(=O)[O-])c3C)nc21 ZINC001595459814 981140704 /nfs/dbraw/zinc/14/07/04/981140704.db2.gz LYLVRNOLVJMQRV-SNVBAGLBSA-N -1 0 347.440 3.868 20 0 EHADRM CC(C)(CNc1nc(-c2cccnc2)nc2ccccc21)CC(=O)[O-] ZINC000906149896 981168791 /nfs/dbraw/zinc/16/87/91/981168791.db2.gz YTVFQVMUGVRCTR-UHFFFAOYSA-N -1 0 336.395 3.605 20 0 EHADRM CCOc1ccc(NC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)c(C)c1 ZINC000907640812 981203524 /nfs/dbraw/zinc/20/35/24/981203524.db2.gz VMWNSQYOYLIBIJ-OXJNMPFZSA-N -1 0 339.391 3.591 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1cc(C(C)(C)C)oc1C ZINC000907660696 981205054 /nfs/dbraw/zinc/20/50/54/981205054.db2.gz IGNJTPWGLJTKSG-UHFFFAOYSA-N -1 0 331.368 3.845 20 0 EHADRM CC[C@@H]1CN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)C[C@@H](CC)O1 ZINC001595482952 981210089 /nfs/dbraw/zinc/21/00/89/981210089.db2.gz JADQLZOIAXBVBH-JMSVASOKSA-N -1 0 345.361 3.721 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2ccc(C3CC3)cc2F)C[C@@H]1c1ccccc1 ZINC000907750679 981215212 /nfs/dbraw/zinc/21/52/12/981215212.db2.gz RAYXKTMZXDLBBK-QRWLVFNGSA-N -1 0 339.366 3.900 20 0 EHADRM CC1=C(C)C[C@](C)(C(=O)N2CC[C@H](c3ncc(C(=O)[O-])s3)C2)CC1 ZINC000907788181 981219788 /nfs/dbraw/zinc/21/97/88/981219788.db2.gz GWEMCRYWXVKINT-SCLBCKFNSA-N -1 0 348.468 3.684 20 0 EHADRM CC[C@@H]1c2ccccc2CCN1C(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC001595504777 981279409 /nfs/dbraw/zinc/27/94/09/981279409.db2.gz OYSLMCKGFNKSER-QGZVFWFLSA-N -1 0 342.395 3.505 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C=C1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000908413810 981314022 /nfs/dbraw/zinc/31/40/22/981314022.db2.gz YCZLWTMGGIEFSR-CQSZACIVSA-N -1 0 341.329 3.838 20 0 EHADRM COc1c(NC(=O)c2cc3c(s2)CCCC3)cccc1C(=O)[O-] ZINC000908508686 981320692 /nfs/dbraw/zinc/32/06/92/981320692.db2.gz XKCFSNZXWLSPIN-UHFFFAOYSA-N -1 0 331.393 3.586 20 0 EHADRM Cc1ccccc1[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000908607236 981329181 /nfs/dbraw/zinc/32/91/81/981329181.db2.gz ZSUUCHZGGOILGC-CXAGYDPISA-N -1 0 329.371 3.570 20 0 EHADRM CC(C)c1ccc2occ(C(=O)N3CCC4(C[C@@H]4C(=O)[O-])CC3)c2c1 ZINC000908657078 981335755 /nfs/dbraw/zinc/33/57/55/981335755.db2.gz GMRUJBUICFOIJR-MRXNPFEDSA-N -1 0 341.407 3.883 20 0 EHADRM CC[C@@H]1C[C@H](CC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CCO1 ZINC000908685633 981339773 /nfs/dbraw/zinc/33/97/73/981339773.db2.gz GVDGCFCBLGMJSK-ZYHUDNBSSA-N -1 0 325.792 3.572 20 0 EHADRM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccoc1CC(=O)[O-] ZINC000908767430 981357784 /nfs/dbraw/zinc/35/77/84/981357784.db2.gz BXFVDNXOYBSQEV-WBVHZDCISA-N -1 0 341.407 3.705 20 0 EHADRM CCC[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)c1cccc(Cl)c1 ZINC001595533099 981373896 /nfs/dbraw/zinc/37/38/96/981373896.db2.gz RDEZIIOFQOATIK-QOKNQOGYSA-N -1 0 349.858 3.937 20 0 EHADRM CCC[C@H](C(=O)Nc1cccc(CC(=O)[O-])n1)c1ccc(Cl)cc1 ZINC001595537917 981388927 /nfs/dbraw/zinc/38/89/27/981388927.db2.gz OMQWDGUSXZJOQC-HNNXBMFYSA-N -1 0 346.814 3.885 20 0 EHADRM CCC[C@H](C(=O)Nc1cc(C(=O)[O-])cnc1Cl)c1ccccc1 ZINC001595538239 981391004 /nfs/dbraw/zinc/39/10/04/981391004.db2.gz QXJNKAAOBZFZLE-ZDUSSCGKSA-N -1 0 332.787 3.956 20 0 EHADRM CCC[C@@H]1C[C@@H](C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CCO1 ZINC000909109152 981419402 /nfs/dbraw/zinc/41/94/02/981419402.db2.gz YUVOZSTYUZOTDS-CMPLNLGQSA-N -1 0 325.792 3.572 20 0 EHADRM CC1(C)CC[C@H](CC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)OC1 ZINC000909113251 981420124 /nfs/dbraw/zinc/42/01/24/981420124.db2.gz QIQSHTDVUDMODK-LLVKDONJSA-N -1 0 325.792 3.572 20 0 EHADRM CCC[C@@](C)(NC(=O)CCSc1cccc(Cl)c1)C(=O)[O-] ZINC001595547451 981420813 /nfs/dbraw/zinc/42/08/13/981420813.db2.gz PMQZKKXEBRDHLF-OAHLLOKOSA-N -1 0 329.849 3.582 20 0 EHADRM Cc1cc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c(C(F)(F)F)o1 ZINC000909136194 981425395 /nfs/dbraw/zinc/42/53/95/981425395.db2.gz DYQLCKLCUMNYTA-UHFFFAOYSA-N -1 0 341.285 3.577 20 0 EHADRM CCC/C(C)=C/C(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC001595565487 981455460 /nfs/dbraw/zinc/45/54/60/981455460.db2.gz HDWWBOUUIRIUHL-XYOKQWHBSA-N -1 0 327.384 3.564 20 0 EHADRM O=C([O-])C12CCC(C(=O)NCCCCc3ccccc3)(CC1)CC2 ZINC000909397394 981483527 /nfs/dbraw/zinc/48/35/27/981483527.db2.gz QQADGCBTIKHJFJ-UHFFFAOYSA-N -1 0 329.440 3.551 20 0 EHADRM O=C([O-])C12CCC(C(=O)NCc3cc4c(s3)CCCC4)(CC1)CC2 ZINC000909405761 981486270 /nfs/dbraw/zinc/48/62/70/981486270.db2.gz IKMSDBJEEPPXMQ-UHFFFAOYSA-N -1 0 347.480 3.668 20 0 EHADRM CCC[C@@H](C)c1cc(NC(=O)Nc2cccc(C(=O)[O-])c2C)n[nH]1 ZINC001595579485 981508371 /nfs/dbraw/zinc/50/83/71/981508371.db2.gz PXEDNTKSOBDRHX-SNVBAGLBSA-N -1 0 330.388 3.964 20 0 EHADRM C[C@H](CC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-])c1c[nH]c2ccccc21 ZINC000909530485 981534111 /nfs/dbraw/zinc/53/41/11/981534111.db2.gz IEARKQUEHZAPAQ-PSGMQZRDSA-N -1 0 342.439 3.811 20 0 EHADRM CSc1cc(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c(C)o1 ZINC000909537094 981536520 /nfs/dbraw/zinc/53/65/20/981536520.db2.gz UOJQQPFBIZCMBX-AWEZNQCLSA-N -1 0 347.436 3.516 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000909557526 981541692 /nfs/dbraw/zinc/54/16/92/981541692.db2.gz KPWSKVCMTXBUHU-BOLDSZDNSA-N -1 0 325.364 3.604 20 0 EHADRM CCC[C@H](CC1CCCCC1)C(=O)NCc1ccc(C(=O)[O-])nc1 ZINC001595587498 981542466 /nfs/dbraw/zinc/54/24/66/981542466.db2.gz OJDUFAMCXXKAKG-MRXNPFEDSA-N -1 0 332.444 3.783 20 0 EHADRM CCC[C@H](CC1CCCCC1)C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001595587854 981544681 /nfs/dbraw/zinc/54/46/81/981544681.db2.gz YGKRRVDUTLEOMH-OAHLLOKOSA-N -1 0 335.448 3.601 20 0 EHADRM CCC[C@@H](NC(=O)N1CCc2cccc(C(=O)[O-])c2C1)C(C)(C)C ZINC001595598664 981568990 /nfs/dbraw/zinc/56/89/90/981568990.db2.gz NGDYZNNEEMJSQT-MRXNPFEDSA-N -1 0 332.444 3.667 20 0 EHADRM CCC[C@H](NC(=O)Cc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1F ZINC001595599074 981570832 /nfs/dbraw/zinc/57/08/32/981570832.db2.gz TUPSJLXRGXSJIG-KRWDZBQOSA-N -1 0 347.361 3.863 20 0 EHADRM CCC[C@@H](NC(=O)NCc1ccc(C(=O)[O-])c(OC)c1)C1CCCC1 ZINC001595600132 981576820 /nfs/dbraw/zinc/57/68/20/981576820.db2.gz LHIVHTHFEFFEAC-MRXNPFEDSA-N -1 0 348.443 3.552 20 0 EHADRM C[C@@H](CC(=O)NC1(CC(=O)[O-])CCCC1)c1c[nH]c2ccccc21 ZINC000909709149 981578747 /nfs/dbraw/zinc/57/87/47/981578747.db2.gz QCAAYOYRWHEGMZ-ZDUSSCGKSA-N -1 0 328.412 3.565 20 0 EHADRM CCc1ccc(CN[C@H](C(=O)[O-])c2cccc(Br)c2)o1 ZINC000683175573 1014746995 /nfs/dbraw/zinc/74/69/95/1014746995.db2.gz XMOYEFXNSQTDEK-AWEZNQCLSA-N -1 0 338.201 3.520 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N(Cc1ccccc1)[C@@H](C)Cc1ccccc1 ZINC001594741433 981611305 /nfs/dbraw/zinc/61/13/05/981611305.db2.gz PDFFZMQHWWHFSM-LPHOPBHVSA-N -1 0 339.435 3.757 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N(Cc1cccc(C(F)(F)F)c1)CC(C)C ZINC001594741941 981616493 /nfs/dbraw/zinc/61/64/93/981616493.db2.gz ZMSOTVFLIPFAFF-CQSZACIVSA-N -1 0 345.361 3.801 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N1CCCCC[C@@H]1Cc1ccccc1Cl ZINC001594743472 981623683 /nfs/dbraw/zinc/62/36/83/981623683.db2.gz SERKSHSQMKJMDZ-HUUCEWRRSA-N -1 0 337.847 3.765 20 0 EHADRM CCCC1(CNC(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)CC1 ZINC001595617202 981650296 /nfs/dbraw/zinc/65/02/96/981650296.db2.gz UCKNLAUTTYDSSC-UHFFFAOYSA-N -1 0 334.416 3.874 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@H]2CCC(=O)c3ccccc32)c1 ZINC000909833707 981651483 /nfs/dbraw/zinc/65/14/83/981651483.db2.gz JEMLQIPTSJMPDJ-SJCJKPOMSA-N -1 0 337.375 3.574 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2CCCc3c(O)cccc32)cc1 ZINC000909833901 981651568 /nfs/dbraw/zinc/65/15/68/981651568.db2.gz OTDVSNPSBVJACW-YVEFUNNKSA-N -1 0 339.391 3.639 20 0 EHADRM C[C@@H](OCc1ccc(F)cc1)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000909835181 981653121 /nfs/dbraw/zinc/65/31/21/981653121.db2.gz DYXSRTMTCPVGRB-QWHCGFSZSA-N -1 0 345.370 3.558 20 0 EHADRM Cc1nc(CC2CC2)sc1C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000909835648 981654737 /nfs/dbraw/zinc/65/47/37/981654737.db2.gz HSYQIWVCKQOYDH-SNVBAGLBSA-N -1 0 344.436 3.844 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)NCC1(c2ccc(C(C)C)cc2)CCCC1 ZINC001594752505 981655327 /nfs/dbraw/zinc/65/53/27/981655327.db2.gz AYEJVMNASSXMCI-QGZVFWFLSA-N -1 0 331.456 3.849 20 0 EHADRM CCC[C@H]1[C@@H](C)CCCN1C(=O)Nc1cccc(C(=O)[O-])c1OC ZINC001595619406 981677573 /nfs/dbraw/zinc/67/75/73/981677573.db2.gz CPHFLTRUSPLFLU-WFASDCNBSA-N -1 0 334.416 3.826 20 0 EHADRM CCC[C@H]1C[C@@H](C(=O)Nc2c(C)c(C(=O)[O-])ccc2Cl)CCO1 ZINC001595619753 981680911 /nfs/dbraw/zinc/68/09/11/981680911.db2.gz NCXWZEWINCXZAV-RYUDHWBXSA-N -1 0 339.819 3.880 20 0 EHADRM CCC[C@H]1C[C@H](C(=O)Oc2cc(Cl)ccc2C(=O)[O-])CCO1 ZINC001595620425 981689346 /nfs/dbraw/zinc/68/93/46/981689346.db2.gz HRTFPKQSQJSBFU-PWSUYJOCSA-N -1 0 326.776 3.539 20 0 EHADRM CCC[C@@H]1CCC[C@H]1C(=O)Oc1ccc(/C=C/C(=O)[O-])cc1OC ZINC001595621611 981701663 /nfs/dbraw/zinc/70/16/63/981701663.db2.gz LSGWQPXPJUOZSH-IANUHJRKSA-N -1 0 332.396 3.915 20 0 EHADRM CCC[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(C(=O)[O-])c(OC)c1 ZINC001595621782 981703248 /nfs/dbraw/zinc/70/32/48/981703248.db2.gz OLHNPMYEZXLZHV-GOEBONIOSA-N -1 0 348.443 3.552 20 0 EHADRM CCC[C@@H]1CCCC[C@H]1NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001595622463 981710318 /nfs/dbraw/zinc/71/03/18/981710318.db2.gz TZYDCMJTKLWGPL-YKTARERQSA-N -1 0 336.476 3.632 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1c(F)cc(C)cc1F)c1ccccc1 ZINC001594768285 981729386 /nfs/dbraw/zinc/72/93/86/981729386.db2.gz UFESTNHVCXZDLU-HNNXBMFYSA-N -1 0 333.334 3.783 20 0 EHADRM CSC(C)(C)C(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC000910078421 981753528 /nfs/dbraw/zinc/75/35/28/981753528.db2.gz HVPUSMZJQLJQJS-UHFFFAOYSA-N -1 0 346.246 3.536 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@H](C)CSc1ccccc1 ZINC001594778018 981771805 /nfs/dbraw/zinc/77/18/05/981771805.db2.gz HOVZGNDGXXQKLL-AUUYWEPGSA-N -1 0 349.496 3.907 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)/C(C)=C\c1ccc(F)cc1 ZINC001594778137 981772767 /nfs/dbraw/zinc/77/27/67/981772767.db2.gz IRQKTJZGKPAPOT-NJBZPOFQSA-N -1 0 333.403 3.721 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)Cc1ccc(F)c(Cl)c1 ZINC001594782105 981789251 /nfs/dbraw/zinc/78/92/51/981789251.db2.gz NBVFUMVPNVUATC-KRWDZBQOSA-N -1 0 341.810 3.514 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)C/C=C\c1ccc(F)cc1 ZINC001594782410 981790586 /nfs/dbraw/zinc/79/05/86/981790586.db2.gz OYVQGCBVIHKKEH-HMECNJMJSA-N -1 0 333.403 3.721 20 0 EHADRM CC(C)c1ccc(CN(C)C(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1 ZINC000910244236 981812286 /nfs/dbraw/zinc/81/22/86/981812286.db2.gz FBQFFJBAZSZKEK-UHFFFAOYSA-N -1 0 329.440 3.804 20 0 EHADRM CSCCc1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1 ZINC000910245162 981815747 /nfs/dbraw/zinc/81/57/47/981815747.db2.gz YAGITGKXOFAEKP-UHFFFAOYSA-N -1 0 347.480 3.956 20 0 EHADRM CCCC[C@H](CC)C(=O)NCc1ccccc1-c1cc(C(=O)[O-])n[nH]1 ZINC001595631913 981846504 /nfs/dbraw/zinc/84/65/04/981846504.db2.gz JUSMNODYMVHBSN-ZDUSSCGKSA-N -1 0 343.427 3.608 20 0 EHADRM CCCC[C@@H](CC)C(=O)N[C@@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC001595631953 981847128 /nfs/dbraw/zinc/84/71/28/981847128.db2.gz LOZCTXUTDXBKHV-IAQYHMDHSA-N -1 0 341.835 3.807 20 0 EHADRM CCCC[C@H](CC)CC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001595632531 981856635 /nfs/dbraw/zinc/85/66/35/981856635.db2.gz IDLZYLVRZQOYQS-LBPRGKRZSA-N -1 0 335.400 3.716 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(OC2CCC2)cc1 ZINC001594794282 981869498 /nfs/dbraw/zinc/86/94/98/981869498.db2.gz ZDMJDPBXIODWKN-FQEVSTJZSA-N -1 0 345.439 3.723 20 0 EHADRM O=C([O-])c1ccc2[nH]cc(C3CCN(c4nccs4)CC3)c2c1 ZINC000910332971 981875374 /nfs/dbraw/zinc/87/53/74/981875374.db2.gz GJWQCXBNRHAWKA-UHFFFAOYSA-N -1 0 327.409 3.707 20 0 EHADRM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)CC1 ZINC001594796819 981881466 /nfs/dbraw/zinc/88/14/66/981881466.db2.gz MUSWQJQZHXFYLO-KMFGOTIKSA-N -1 0 333.472 3.909 20 0 EHADRM CCC(C)(C)CNC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001594802084 981899645 /nfs/dbraw/zinc/89/96/45/981899645.db2.gz WDIMAXHRPVMKBV-UHFFFAOYSA-N -1 0 338.473 3.952 20 0 EHADRM CCCC[C@@H](NC(=O)NCc1ccc(OC)c(C(=O)[O-])c1)C1CCC1 ZINC001595635608 981906389 /nfs/dbraw/zinc/90/63/89/981906389.db2.gz CNQRRXTXBSESMC-MRXNPFEDSA-N -1 0 348.443 3.552 20 0 EHADRM CCC(C)(C)NC(=S)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC001594806207 981913196 /nfs/dbraw/zinc/91/31/96/981913196.db2.gz ZCKZXOPDGOMILC-UHFFFAOYSA-N -1 0 348.512 3.702 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](Nc2ccnc(CSc3ccccc3)n2)C1 ZINC000910396884 981917676 /nfs/dbraw/zinc/91/76/76/981917676.db2.gz KWFCGHCPYPEFQJ-KGLIPLIRSA-N -1 0 343.452 3.824 20 0 EHADRM CCC(C)(C)[C@H]1CCc2nc(NC(=O)[C@H](C)CC(=O)[O-])sc2C1 ZINC001594808883 981922436 /nfs/dbraw/zinc/92/24/36/981922436.db2.gz RCZCCXDEVLMMDD-MNOVXSKESA-N -1 0 338.473 3.734 20 0 EHADRM CCCC[C@H](Nc1ccc(Oc2ccc(Cl)nn2)cc1)C(=O)[O-] ZINC001595647356 982004213 /nfs/dbraw/zinc/00/42/13/982004213.db2.gz YALQMYUQGOMUBT-ZDUSSCGKSA-N -1 0 335.791 3.978 20 0 EHADRM CCCC[C@@H](Nc1ccc(Oc2ccc(Cl)nn2)cc1)C(=O)[O-] ZINC001595647354 982004322 /nfs/dbraw/zinc/00/43/22/982004322.db2.gz YALQMYUQGOMUBT-CYBMUJFWSA-N -1 0 335.791 3.978 20 0 EHADRM CCCC[C@@H](S[C@H](C)C(=O)Nc1ccc(F)c(F)c1)C(=O)[O-] ZINC001595650944 982014864 /nfs/dbraw/zinc/01/48/64/982014864.db2.gz ABEQXVVEHRMKQR-NOZJJQNGSA-N -1 0 331.384 3.668 20 0 EHADRM CCc1nc(C)c(NC(=O)c2cccc(Br)c2[O-])s1 ZINC000547660126 1014791540 /nfs/dbraw/zinc/79/15/40/1014791540.db2.gz TVRPGOHBTZWBQF-UHFFFAOYSA-N -1 0 341.230 3.734 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000910620519 982026268 /nfs/dbraw/zinc/02/62/68/982026268.db2.gz NKXYTZWTJDBWSZ-QWHCGFSZSA-N -1 0 345.420 3.896 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1CCCc2sccc21 ZINC000910623163 982030950 /nfs/dbraw/zinc/03/09/50/982030950.db2.gz AQQNXHPZOIQHRL-CYBMUJFWSA-N -1 0 345.420 3.904 20 0 EHADRM CCCC[C@@H](SCC(=O)Nc1ccc(Cl)c(F)c1)C(=O)[O-] ZINC001595654080 982038815 /nfs/dbraw/zinc/03/88/15/982038815.db2.gz ALENIPVLCSELSY-GFCCVEGCSA-N -1 0 333.812 3.794 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2 ZINC000910678660 982053252 /nfs/dbraw/zinc/05/32/52/982053252.db2.gz ACJDUOOKXMKORW-SNVBAGLBSA-N -1 0 348.424 3.610 20 0 EHADRM CCCCC1(C(=O)N2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)CC1 ZINC001595656720 982054960 /nfs/dbraw/zinc/05/49/60/982054960.db2.gz FSJFCDNZSPSTPY-LBPRGKRZSA-N -1 0 336.457 3.518 20 0 EHADRM CCCCC1(C(=O)Nc2ccc(OCC(=O)[O-])c3ncccc23)CC1 ZINC001595657240 982060484 /nfs/dbraw/zinc/06/04/84/982060484.db2.gz PEMZOOGNGLWZPS-UHFFFAOYSA-N -1 0 342.395 3.607 20 0 EHADRM CC(C)c1sc(NC(=O)CCc2ccccc2F)nc1C(=O)[O-] ZINC000910700999 982071686 /nfs/dbraw/zinc/07/16/86/982071686.db2.gz PFOZJMDHEJMUNO-UHFFFAOYSA-N -1 0 336.388 3.675 20 0 EHADRM C/C(=C/C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1)c1ccco1 ZINC000910717604 982080094 /nfs/dbraw/zinc/08/00/94/982080094.db2.gz DMBDWCYUZNKTJJ-ZWLSGLHFSA-N -1 0 346.408 3.510 20 0 EHADRM O=C([O-])c1nc(NC(=O)C23CC4CC(CC(C4)C2)C3)sc1C1CC1 ZINC000910731483 982094400 /nfs/dbraw/zinc/09/44/00/982094400.db2.gz YHJHHFRADCNKSA-UHFFFAOYSA-N -1 0 346.452 3.874 20 0 EHADRM CCCCC[C@@H](C)CC(=O)Nc1nc(COC)c(C(=O)[O-])s1 ZINC001595666315 982099227 /nfs/dbraw/zinc/09/92/27/982099227.db2.gz IFEGQCKNSLSCKY-SNVBAGLBSA-N -1 0 328.434 3.533 20 0 EHADRM CCc1sc(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)cc1C ZINC000910736675 982099631 /nfs/dbraw/zinc/09/96/31/982099631.db2.gz NNYKDNGEIZKLMB-UHFFFAOYSA-N -1 0 336.438 3.903 20 0 EHADRM O=C([O-])CC1CC(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)C1 ZINC000910806421 982128190 /nfs/dbraw/zinc/12/81/90/982128190.db2.gz GIVVLVZKQLWYLK-UHFFFAOYSA-N -1 0 349.858 3.911 20 0 EHADRM CCCCC[C@H](NC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)C(C)(C)C ZINC001595673480 982143085 /nfs/dbraw/zinc/14/30/85/982143085.db2.gz ZRUFBVTXJZJLTA-DOXZYTNZSA-N -1 0 338.492 3.878 20 0 EHADRM CC/C(C)=C(/C)C(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001594861757 982149979 /nfs/dbraw/zinc/14/99/79/982149979.db2.gz LFHSFTPGLVJTSK-FPLPWBNLSA-N -1 0 344.180 3.971 20 0 EHADRM CC[C@@H](C)[C@@H](C(=O)Nc1cc(C)c(C(=O)[O-])cn1)c1ccccc1 ZINC001594865505 982167321 /nfs/dbraw/zinc/16/73/21/982167321.db2.gz IJLGFQSGNWIUBE-SJKOYZFVSA-N -1 0 326.396 3.857 20 0 EHADRM CC[C@@H](C)C(=O)Nc1c(OCc2ccccc2)cccc1C(=O)[O-] ZINC001594865869 982170780 /nfs/dbraw/zinc/17/07/80/982170780.db2.gz LZGGYQLBQUXWIU-CYBMUJFWSA-N -1 0 327.380 3.948 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCC[C@@]1(C)Cc1ccc(Cl)s1 ZINC000911062994 982220583 /nfs/dbraw/zinc/22/05/83/982220583.db2.gz QXZDDRZQMPVKDC-ZBEGNZNMSA-N -1 0 343.876 3.826 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)oc1C(=O)[O-] ZINC000911087908 982230410 /nfs/dbraw/zinc/23/04/10/982230410.db2.gz VGAUYRCJUCFEPD-UHFFFAOYSA-N -1 0 328.368 3.529 20 0 EHADRM CC[C@H](C)[C@H](C)C(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001594881009 982233089 /nfs/dbraw/zinc/23/30/89/982233089.db2.gz KOPNQEMVHQFBSK-IUCAKERBSA-N -1 0 328.206 3.768 20 0 EHADRM CC[C@H](C)[C@H](C)N(C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1)C1CC1 ZINC001594882520 982248664 /nfs/dbraw/zinc/24/86/64/982248664.db2.gz YAMCIJSMFGBUCS-AXFHLTTASA-N -1 0 339.461 3.511 20 0 EHADRM CC[C@H](C)[C@H](CNc1ccc(N2CCCCC2)c(C(=O)[O-])c1)OC ZINC001594884312 982262349 /nfs/dbraw/zinc/26/23/49/982262349.db2.gz PNQXZKUNUFSYNY-KSSFIOAISA-N -1 0 334.460 3.848 20 0 EHADRM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc(C)s3)cc2)n1 ZINC000029403745 1014822794 /nfs/dbraw/zinc/82/27/94/1014822794.db2.gz JIWLLDFMFZUINR-UHFFFAOYSA-N -1 0 347.465 3.660 20 0 EHADRM CCCCCCO[C@@H](C)C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1 ZINC001595711312 982299136 /nfs/dbraw/zinc/29/91/36/982299136.db2.gz ULPWMXCLFDCDRA-JTQLQIEISA-N -1 0 340.445 3.643 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1cccc(N2CCCCC2)c1 ZINC000911248014 982311595 /nfs/dbraw/zinc/31/15/95/982311595.db2.gz LXNXBLQUFLGRNU-UHFFFAOYSA-N -1 0 328.368 3.529 20 0 EHADRM CCCCCCOc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)cc1 ZINC001595715641 982315110 /nfs/dbraw/zinc/31/51/10/982315110.db2.gz XZDWJBZPNUJAOO-WMLDXEAASA-N -1 0 333.428 3.581 20 0 EHADRM CCCCN(C)c1ccc(NC(=O)N[C@](C)(CC(=O)[O-])C2CC2)cc1 ZINC001595742323 982406445 /nfs/dbraw/zinc/40/64/45/982406445.db2.gz YNKPPIQOMNYZQQ-LJQANCHMSA-N -1 0 347.459 3.688 20 0 EHADRM CCCCN(Cc1ccccc1Cl)C(=O)C12CC(C(=O)[O-])(C1)C2 ZINC001595749315 982422574 /nfs/dbraw/zinc/42/25/74/982422574.db2.gz XCEJRTZWEJTLCY-UHFFFAOYSA-N -1 0 335.831 3.724 20 0 EHADRM CC[C@H](c1ccncc1)N(CC)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000911417025 982423052 /nfs/dbraw/zinc/42/30/52/982423052.db2.gz YGUXLJRRSFNPQB-MRXNPFEDSA-N -1 0 330.359 3.532 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)c1cccc(SC(F)(F)F)c1)C(=O)[O-] ZINC001594912862 982426284 /nfs/dbraw/zinc/42/62/84/982426284.db2.gz PZKOHFDNQZWYHH-LDYMZIIASA-N -1 0 335.347 3.528 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)c1ccc(OCC2CCCCC2)cc1)C(=O)[O-] ZINC001594913059 982428139 /nfs/dbraw/zinc/42/81/39/982428139.db2.gz WXBJRXDZONVACC-RDTXWAMCSA-N -1 0 347.455 3.875 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN(C(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000911460062 982442725 /nfs/dbraw/zinc/44/27/25/982442725.db2.gz STOQDJXCCXIWND-LJQANCHMSA-N -1 0 327.380 3.562 20 0 EHADRM CC[C@@H](C)[C@H](Nc1ccc(Oc2ccc(Cl)nn2)cc1)C(=O)[O-] ZINC001594922267 982476201 /nfs/dbraw/zinc/47/62/01/982476201.db2.gz YPFMWZQBRQZGNO-BMIGLBTASA-N -1 0 335.791 3.834 20 0 EHADRM Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)c1cc(C(=O)[O-])co1 ZINC000911541924 982485178 /nfs/dbraw/zinc/48/51/78/982485178.db2.gz QRCOZGBSKRXXEB-GFCCVEGCSA-N -1 0 341.285 3.710 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1ccccc1N[C@H](C)c1ccccc1 ZINC000911557824 982500687 /nfs/dbraw/zinc/50/06/87/982500687.db2.gz JTFAQHWLKZXIDZ-UKRRQHHQSA-N -1 0 326.396 3.909 20 0 EHADRM CC[C@@H](C)[C@H](Sc1nnc(-c2ccccc2Cl)n1C)C(=O)[O-] ZINC001594928821 982542918 /nfs/dbraw/zinc/54/29/18/982542918.db2.gz NLEURMOFRFFRKX-SKDRFNHKSA-N -1 0 339.848 3.727 20 0 EHADRM CC[C@H](C)[C@H]1CCCCN1C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001594929255 982546430 /nfs/dbraw/zinc/54/64/30/982546430.db2.gz RGQPWLPUFHPHAJ-SDDRHHMPSA-N -1 0 339.461 3.513 20 0 EHADRM CC[C@H](C)[C@@H](Sc1nnc(-c2ccc(C)cc2)n1CC)C(=O)[O-] ZINC001594930153 982551417 /nfs/dbraw/zinc/55/14/17/982551417.db2.gz VVADQLQYPLKTGT-GXTWGEPZSA-N -1 0 333.457 3.865 20 0 EHADRM CCCCS[C@H](C)C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1 ZINC001595786082 982573235 /nfs/dbraw/zinc/57/32/35/982573235.db2.gz NSWXOTJBDCGGJY-UKRRQHHQSA-N -1 0 329.506 3.696 20 0 EHADRM CCCCSCCC(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1 ZINC001595789220 982587763 /nfs/dbraw/zinc/58/77/63/982587763.db2.gz QGPYPODQKZRMHM-OAHLLOKOSA-N -1 0 329.506 3.697 20 0 EHADRM CCCCSc1ccc(Cl)cc1C(=O)NC[C@@H](C)C(=O)[O-] ZINC001595791573 982590082 /nfs/dbraw/zinc/59/00/82/982590082.db2.gz CRTUEVMJYYLOLR-SNVBAGLBSA-N -1 0 329.849 3.683 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(C2CCCC2)cc1)c1ccncc1 ZINC000911661575 982591465 /nfs/dbraw/zinc/59/14/65/982591465.db2.gz AXWDNCWYVWNJHB-GOSISDBHSA-N -1 0 338.407 3.685 20 0 EHADRM CCCCc1ccc(N(C)CC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)cc1 ZINC001595795871 982599794 /nfs/dbraw/zinc/59/97/94/982599794.db2.gz CVBDQUDPVIVEGM-UHFFFAOYSA-N -1 0 342.439 3.991 20 0 EHADRM CCCN(C(=O)c1ccc([C@H](C)C(F)(F)F)cc1)[C@H](C)C(=O)[O-] ZINC000911706017 982606480 /nfs/dbraw/zinc/60/64/80/982606480.db2.gz FSCCKQNZNWLGMU-WDEREUQCSA-N -1 0 331.334 3.678 20 0 EHADRM CCCCc1nc(COc2c(CC(=O)[O-])cccc2OC)cs1 ZINC001595799176 982612964 /nfs/dbraw/zinc/61/29/64/982612964.db2.gz ODQARZBZMAJSCO-UHFFFAOYSA-N -1 0 335.425 3.700 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)c1cc(Cl)ccc1OC(C)C)C(=O)[O-] ZINC001594945011 982630561 /nfs/dbraw/zinc/63/05/61/982630561.db2.gz MTJGDTBICAULET-RISCZKNCSA-N -1 0 341.835 3.746 20 0 EHADRM CCCN(C(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)[O-] ZINC001595814208 982658254 /nfs/dbraw/zinc/65/82/54/982658254.db2.gz PODHLVLVYRYTLU-WDEREUQCSA-N -1 0 346.254 3.884 20 0 EHADRM Cc1ccc(-c2cc(C(=O)Nc3ccc(F)c(C(=O)[O-])c3)on2)cc1 ZINC000915150131 982664221 /nfs/dbraw/zinc/66/42/21/982664221.db2.gz LGFRVXGHPMGXHQ-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM CCCN(C(=O)/C=C/c1cccc(OC2CCCC2)c1)[C@H](C)C(=O)[O-] ZINC001595817219 982678915 /nfs/dbraw/zinc/67/89/15/982678915.db2.gz PVVZWQHLDMOMQE-AYJWMTRPSA-N -1 0 345.439 3.733 20 0 EHADRM COc1cc2ccccc2cc1C(=O)NCCCCCCC(=O)[O-] ZINC000920935016 982694910 /nfs/dbraw/zinc/69/49/10/982694910.db2.gz DANFPKLWKDNVRI-UHFFFAOYSA-N -1 0 329.396 3.613 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)C[C@@H]2CC=CCC2)cc1 ZINC000923065361 982703761 /nfs/dbraw/zinc/70/37/61/982703761.db2.gz ADGJGKFJYNYHFJ-CZUORRHYSA-N -1 0 333.453 3.787 20 0 EHADRM CCCN(C(=O)c1ccc(/C=C/C(=O)[O-])o1)[C@H]1CCc2ccccc21 ZINC001595827377 982713009 /nfs/dbraw/zinc/71/30/09/982713009.db2.gz QUMCVCZZZFLJAR-KQPPXVQYSA-N -1 0 339.391 3.917 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000923090223 982716401 /nfs/dbraw/zinc/71/64/01/982716401.db2.gz FKRHOLNFGZKWDY-ONGXEEELSA-N -1 0 337.347 3.775 20 0 EHADRM CC(C)Oc1c(NC(=O)[C@@H]2CCO[C@H](C(C)C)C2)cccc1C(=O)[O-] ZINC000923111380 982731496 /nfs/dbraw/zinc/73/14/96/982731496.db2.gz RADQTDYOKPRDEF-CJNGLKHVSA-N -1 0 349.427 3.562 20 0 EHADRM O=C([O-])c1ccccc1CCNC(=O)CCc1ccc(C(F)F)cc1 ZINC000923124955 982743801 /nfs/dbraw/zinc/74/38/01/982743801.db2.gz VJFMICBBUGOGLO-UHFFFAOYSA-N -1 0 347.361 3.614 20 0 EHADRM CCCN(C)c1ccccc1NC(=O)NCC(CC)(CC)C(=O)[O-] ZINC001595839209 982750790 /nfs/dbraw/zinc/75/07/90/982750790.db2.gz BQKFWZJVKWBXNL-UHFFFAOYSA-N -1 0 335.448 3.545 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc(Oc2cc(C)ccn2)cc1 ZINC001594977259 982754833 /nfs/dbraw/zinc/75/48/33/982754833.db2.gz HJLOVNPMNUORNX-CQSZACIVSA-N -1 0 342.395 3.508 20 0 EHADRM O=C([O-])[C@]12C[C@H]1CCCN2C(=O)c1cc2cc(Cl)ccc2s1 ZINC000923147939 982757362 /nfs/dbraw/zinc/75/73/62/982757362.db2.gz WTBMZWPTLJGQBD-HWPZZCPQSA-N -1 0 335.812 3.634 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000923151696 982763009 /nfs/dbraw/zinc/76/30/09/982763009.db2.gz ZFBFWACVCXRTRI-GDBMZVCRSA-N -1 0 331.456 3.628 20 0 EHADRM Cc1ccc(C)c(OCCCCC(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C)c1 ZINC000923153477 982767010 /nfs/dbraw/zinc/76/70/10/982767010.db2.gz SABDEQCVNXGHTD-IAGOWNOFSA-N -1 0 347.455 3.564 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2cc(F)cc(Cl)c2[O-])CCO1 ZINC000274757750 1014871781 /nfs/dbraw/zinc/87/17/81/1014871781.db2.gz YDUZBVSDJGVGCG-HZMBPMFUSA-N -1 0 329.799 3.965 20 0 EHADRM CC[C@@H](C)N1C(=O)N[C@H](c2sccc2Cl)C(C(=O)[O-])=C1C ZINC001594985473 982801096 /nfs/dbraw/zinc/80/10/96/982801096.db2.gz QSNPRWWSAIBMDO-HQJQHLMTSA-N -1 0 328.821 3.625 20 0 EHADRM CCCN(CCC)c1ccc(NC(=O)c2cc(C(=O)[O-])ccn2)cc1 ZINC001595880061 982884827 /nfs/dbraw/zinc/88/48/27/982884827.db2.gz VEKBKKKVVFMENS-UHFFFAOYSA-N -1 0 341.411 3.659 20 0 EHADRM CC[C@H](C)Oc1cc(C(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)ccn1 ZINC001594996777 982902278 /nfs/dbraw/zinc/90/22/78/982902278.db2.gz QLSWLJCIELBDDP-JTQLQIEISA-N -1 0 349.770 3.830 20 0 EHADRM CC[C@@H](C)Oc1ccc(NC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)cc1 ZINC001595008285 982928914 /nfs/dbraw/zinc/92/89/14/982928914.db2.gz NNUPOICXNLHMTQ-SNVBAGLBSA-N -1 0 330.384 3.759 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H]2CSc3ccccc32)cc1 ZINC001116479181 982929996 /nfs/dbraw/zinc/92/99/96/982929996.db2.gz MQKXJHOGYMQXGE-JKSUJKDBSA-N -1 0 341.432 3.517 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC001116479255 982931086 /nfs/dbraw/zinc/93/10/86/982931086.db2.gz PMCFBIFHENASKQ-UTKZUKDTSA-N -1 0 335.403 3.926 20 0 EHADRM CC[C@@H](C)Oc1ccc(NC(=O)/C=C\c2cc(C(=O)[O-])co2)cc1 ZINC001595009353 982934487 /nfs/dbraw/zinc/93/44/87/982934487.db2.gz WDMWOMBUTJTQFD-JLVNDZCYSA-N -1 0 329.352 3.807 20 0 EHADRM CC[C@H](C)c1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cc1 ZINC001595010821 982943642 /nfs/dbraw/zinc/94/36/42/982943642.db2.gz YQMQBFWTQSXWDL-LIRRHRJNSA-N -1 0 337.419 3.852 20 0 EHADRM CCCN(Cc1ccc(OC)cc1)[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595899204 982948304 /nfs/dbraw/zinc/94/83/04/982948304.db2.gz IZSIFYBDNSOHHJ-LBPRGKRZSA-N -1 0 334.441 3.823 20 0 EHADRM C[C@@H](C(=O)N(C)C(C)(C)CC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001118806717 982962714 /nfs/dbraw/zinc/96/27/14/982962714.db2.gz BMBCOSCTJULEQO-SECBINFHSA-N -1 0 332.227 3.809 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2F)o1 ZINC001118975072 982972343 /nfs/dbraw/zinc/97/23/43/982972343.db2.gz LYWUYKAELPXNPF-CYBMUJFWSA-N -1 0 335.306 3.623 20 0 EHADRM CCCNc1ccc(CNC(=O)Nc2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001595936668 983078111 /nfs/dbraw/zinc/07/81/11/983078111.db2.gz KZIBYPAYVXZQHP-UHFFFAOYSA-N -1 0 341.411 3.837 20 0 EHADRM CCCOc1ccc(C(C)(C)NC(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC001595954532 983138375 /nfs/dbraw/zinc/13/83/75/983138375.db2.gz LSWYECFCWLMNIO-UHFFFAOYSA-N -1 0 341.407 3.839 20 0 EHADRM CCCOc1ccc(NC(=O)NCc2ccc(C(=O)[O-])cc2)cc1C ZINC001595960540 983152400 /nfs/dbraw/zinc/15/24/00/983152400.db2.gz LCZQFWLYQNKIRL-UHFFFAOYSA-N -1 0 342.395 3.804 20 0 EHADRM CCCOc1cccc(/C=C2/C(=O)Nc3cc(F)c(C(=O)[O-])cc32)c1 ZINC001595967219 983178093 /nfs/dbraw/zinc/17/80/93/983178093.db2.gz FREMPQSLBQJXDO-RIYZIHGNSA-N -1 0 341.338 3.805 20 0 EHADRM CCCSc1cccc(NC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)n1 ZINC001595987627 983239814 /nfs/dbraw/zinc/23/98/14/983239814.db2.gz LLKGDDNWJCVUNL-NSHDSACASA-N -1 0 339.461 3.595 20 0 EHADRM CCC[C@H](NC(=O)/C(C)=C\c1c(Cl)cccc1Cl)C(=O)[O-] ZINC001596010707 983270676 /nfs/dbraw/zinc/27/06/76/983270676.db2.gz BKIVIJNOYBPDJL-YXVBKTCISA-N -1 0 330.211 3.766 20 0 EHADRM CCC[C@H](NC(=O)C(C)(C)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001596011044 983272130 /nfs/dbraw/zinc/27/21/30/983272130.db2.gz LYPTYOHOKXPYMG-ZDUSSCGKSA-N -1 0 345.361 3.644 20 0 EHADRM CCC[C@H](NC(=O)c1cc(F)c(Oc2ccccc2)c(F)c1)C(=O)[O-] ZINC001596018266 983280109 /nfs/dbraw/zinc/28/01/09/983280109.db2.gz DGBLRVDOSVYHPI-HNNXBMFYSA-N -1 0 349.333 3.740 20 0 EHADRM CCCc1c(C(=O)Nc2ccc(OCC)c(F)c2)[nH]c(C)c1C(=O)[O-] ZINC001596045289 983332479 /nfs/dbraw/zinc/33/24/79/983332479.db2.gz IKSRTKZXXCHEQO-UHFFFAOYSA-N -1 0 348.374 3.764 20 0 EHADRM CCCc1c(C(=O)N[C@H](C)c2ccc(F)cc2)[nH]c(C)c1C(=O)[O-] ZINC001596045393 983333056 /nfs/dbraw/zinc/33/30/56/983333056.db2.gz AWJCBMTXCOCPQP-SNVBAGLBSA-N -1 0 332.375 3.604 20 0 EHADRM CCCc1c(NCc2cc(C(=O)[O-])c(C)[nH]2)cnn1-c1ccccc1 ZINC001596050357 983348424 /nfs/dbraw/zinc/34/84/24/983348424.db2.gz GMZBDWZIBKEGGL-UHFFFAOYSA-N -1 0 338.411 3.772 20 0 EHADRM CCCc1c(NCc2ccc(C(=O)[O-])[nH]2)cnn1-c1cccc(F)c1 ZINC001596051557 983351638 /nfs/dbraw/zinc/35/16/38/983351638.db2.gz XTCHZCFEQQOPEJ-UHFFFAOYSA-N -1 0 342.374 3.602 20 0 EHADRM CCCc1ccc(CCCC(=O)N[C@@](C)(CC(=O)[O-])C2CC2)cc1 ZINC001596062858 983373092 /nfs/dbraw/zinc/37/30/92/983373092.db2.gz LJJAPIHGLZNUOQ-FQEVSTJZSA-N -1 0 331.456 3.721 20 0 EHADRM CCCc1ccc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2O)cc1 ZINC001596062909 983373783 /nfs/dbraw/zinc/37/37/83/983373783.db2.gz MMSNTMFRYPKLRZ-UHFFFAOYSA-N -1 0 333.771 3.949 20 0 EHADRM CCCn1c(C(=O)Nc2ccc(CC(=O)[O-])cc2)cc2ccccc21 ZINC001596107683 983432428 /nfs/dbraw/zinc/43/24/28/983432428.db2.gz IYUJPHQVMKQYNP-UHFFFAOYSA-N -1 0 336.391 3.931 20 0 EHADRM CCCn1c(C)nnc1CNc1cccc2cc(C(=O)[O-])sc21 ZINC001596108577 983434617 /nfs/dbraw/zinc/43/46/17/983434617.db2.gz DJIJXWNAOQDSQC-UHFFFAOYSA-N -1 0 330.413 3.522 20 0 EHADRM CCN(C(=O)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F)C(C)(C)C(=O)[O-] ZINC001596136691 983484309 /nfs/dbraw/zinc/48/43/09/983484309.db2.gz DLMFFGVLMIFYBE-DGCLKSJQSA-N -1 0 341.810 3.684 20 0 EHADRM CCN(C(=O)Cc1cccc(C(=O)[O-])c1)c1nc2ccccc2s1 ZINC001596143053 983495732 /nfs/dbraw/zinc/49/57/32/983495732.db2.gz JKOVZRLAHHBYKF-UHFFFAOYSA-N -1 0 340.404 3.590 20 0 EHADRM CCN(CC(=O)[O-])C(=O)CSc1cccc2cccc(Cl)c21 ZINC001596215901 983609076 /nfs/dbraw/zinc/60/90/76/983609076.db2.gz MAPUNBJDPYDMDP-UHFFFAOYSA-N -1 0 337.828 3.518 20 0 EHADRM CCN(Cc1ccc(C2(C(=O)[O-])CC2)cc1)c1cccc(OC)c1 ZINC001596359386 983834139 /nfs/dbraw/zinc/83/41/39/983834139.db2.gz GPERSCBBCHEOCX-UHFFFAOYSA-N -1 0 325.408 3.838 20 0 EHADRM CCN(Cc1ccccc1F)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001596371953 983875943 /nfs/dbraw/zinc/87/59/43/983875943.db2.gz WPPGXSAPBVBPJU-UHFFFAOYSA-N -1 0 346.358 3.587 20 0 EHADRM CCN(c1ccc(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)cc1)C(C)C ZINC001596383233 983907636 /nfs/dbraw/zinc/90/76/36/983907636.db2.gz YMDMEBPXZNNJLY-MRXNPFEDSA-N -1 0 334.460 3.541 20 0 EHADRM C=C/C=C\CC(=O)N(C)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001588719627 983962278 /nfs/dbraw/zinc/96/22/78/983962278.db2.gz CCHTUMPAEBOKEZ-WSNITJDQSA-N -1 0 328.195 3.710 20 0 EHADRM C[C@H](NC(=O)c1c(F)ccc(O)c1F)c1ccc(OC(F)F)cc1 ZINC000538020374 1032107480 /nfs/dbraw/zinc/10/74/80/1032107480.db2.gz DFQANLPGANEWAT-QMMMGPOBSA-N -1 0 343.276 3.763 20 0 EHADRM C=Cc1ccc(C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)cc1 ZINC001588920223 984576170 /nfs/dbraw/zinc/57/61/70/984576170.db2.gz WWXHQUVFSQMMIM-UHFFFAOYSA-N -1 0 329.783 3.710 20 0 EHADRM CCOC(=O)CN(Cc1csc(C(=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC001596622123 984597953 /nfs/dbraw/zinc/59/79/53/984597953.db2.gz GYQDQDGSHYQNIM-ZDUSSCGKSA-N -1 0 347.436 3.573 20 0 EHADRM C/C(=C/C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21)c1cccs1 ZINC001588937874 984619745 /nfs/dbraw/zinc/61/97/45/984619745.db2.gz WCOOJYGTMYFMLJ-SUIFULHWSA-N -1 0 327.405 3.757 20 0 EHADRM C/C(=C\C(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1)c1cccs1 ZINC001588938612 984622984 /nfs/dbraw/zinc/62/29/84/984622984.db2.gz DFFQZTIPWXICFB-RTGRKSDTSA-N -1 0 329.421 3.710 20 0 EHADRM C/C(=C/C(=O)NCc1ccc(C(=O)[O-])cc1F)c1ccccc1Cl ZINC001588943242 984639843 /nfs/dbraw/zinc/63/98/43/984639843.db2.gz XMVKAYBCCURCNW-FLIBITNWSA-N -1 0 347.773 3.897 20 0 EHADRM C/C(=C/C(=O)Nc1cc(CCC(=O)[O-])ccc1O)c1ccc(F)cc1 ZINC001588944138 984645098 /nfs/dbraw/zinc/64/50/98/984645098.db2.gz QEDGHCVCDRWFTD-BENRWUELSA-N -1 0 343.354 3.591 20 0 EHADRM C[C@H](Nc1nccc(C(=O)[O-])n1)c1cc(Cl)ccc1OC(F)F ZINC001599902447 984864119 /nfs/dbraw/zinc/86/41/19/984864119.db2.gz FWJKHDYDONQBLQ-ZETCQYMHSA-N -1 0 343.717 3.603 20 0 EHADRM C[C@H](Nc1cccc(C(=O)[O-])n1)c1ccc(OC(F)(F)F)cc1 ZINC001599902709 984870068 /nfs/dbraw/zinc/87/00/68/984870068.db2.gz LPCFDMSJHLXHKL-VIFPVBQESA-N -1 0 326.274 3.852 20 0 EHADRM CC(=Cc1ccc(C)cc1)C(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1 ZINC001588999430 984937728 /nfs/dbraw/zinc/93/77/28/984937728.db2.gz UWRGXJOZHJDXAG-ZRDIBKRKSA-N -1 0 335.363 3.612 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)c2ccnc3cc(Cl)ccc32)(C(=O)[O-])CC1 ZINC001599907839 984946697 /nfs/dbraw/zinc/94/66/97/984946697.db2.gz QFCZJWCDVVBHAI-CKSWESSHSA-N -1 0 346.814 3.652 20 0 EHADRM CCOC(=O)c1ccc(SCc2cc(C)c(C(=O)[O-])o2)c(F)c1 ZINC001596728548 984986389 /nfs/dbraw/zinc/98/63/89/984986389.db2.gz FHVBSRUOUMUIIJ-UHFFFAOYSA-N -1 0 338.356 3.894 20 0 EHADRM CCOC(=O)c1ccc(SC[C@H]2CCCC[C@@H]2C(=O)[O-])c(F)c1 ZINC001596729698 984990343 /nfs/dbraw/zinc/99/03/43/984990343.db2.gz UCXJVTXDXWRRSJ-OLZOCXBDSA-N -1 0 340.416 3.986 20 0 EHADRM CCO[C@@H](CC(=O)OCc1cccc(C(=O)[O-])c1Cl)C(C)C ZINC001596782494 985239148 /nfs/dbraw/zinc/23/91/48/985239148.db2.gz PRJLIDHDIPKUIH-ZDUSSCGKSA-N -1 0 328.792 3.533 20 0 EHADRM CCO[C@H](CC(=O)Nc1c(C(=O)[O-])ccc2ccccc21)C(C)C ZINC001596782614 985240198 /nfs/dbraw/zinc/24/01/98/985240198.db2.gz UKCVBQXKNAUOTE-MRXNPFEDSA-N -1 0 329.396 3.928 20 0 EHADRM O=C(NO[C@H]1CCCCO1)Nc1ccc(Cl)cc1-n1cccc1 ZINC000160250956 1015116390 /nfs/dbraw/zinc/11/63/90/1015116390.db2.gz KOAZZEKFRLHCMG-HNNXBMFYSA-N -1 0 335.791 3.710 20 0 EHADRM C[C@H]1CN(c2nc3cc(Cl)cc(Cl)c3o2)C[C@]1(C)C(=O)[O-] ZINC001599931887 985330304 /nfs/dbraw/zinc/33/03/04/985330304.db2.gz CKLMHBOKJGORBF-WJWGPLDTSA-N -1 0 329.183 3.682 20 0 EHADRM C[C@]1(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)C[C@@H]1c1ccccc1 ZINC001599937607 985415315 /nfs/dbraw/zinc/41/53/15/985415315.db2.gz BFAWNNUTYYPFEJ-XIKOKIGWSA-N -1 0 342.420 3.851 20 0 EHADRM C[C@]1(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C[C@@H]1c1ccccc1 ZINC001599937784 985417906 /nfs/dbraw/zinc/41/79/06/985417906.db2.gz HLNCTZDXAIBTLL-XIKOKIGWSA-N -1 0 331.318 3.795 20 0 EHADRM C[C@]1(C(=O)N2CCCc3ccc(C(=O)[O-])cc32)C[C@@H]1c1ccccc1 ZINC001599938072 985421346 /nfs/dbraw/zinc/42/13/46/985421346.db2.gz YWSPRRACQSNINA-UTKZUKDTSA-N -1 0 335.403 3.858 20 0 EHADRM C[C@]1(CN2C[C@H](C(=O)[O-])Oc3cc(F)ccc32)C[C@@H]1c1ccccc1 ZINC001599938658 985427872 /nfs/dbraw/zinc/42/78/72/985427872.db2.gz OASFAWWGBAGULV-XFQXTVEOSA-N -1 0 341.382 3.672 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)[C@H]2CCCC[C@@H]12 ZINC001594479583 985517638 /nfs/dbraw/zinc/51/76/38/985517638.db2.gz LUKXQXRPCVBERS-COXVUDFISA-N -1 0 346.427 3.583 20 0 EHADRM CCO[C@H]1C[C@@H](Nc2nc(Cl)c(C(=O)[O-])s2)C1(CC)CC ZINC001596841703 985526804 /nfs/dbraw/zinc/52/68/04/985526804.db2.gz CIMZKSXPTQSUBM-BDAKNGLRSA-N -1 0 332.853 3.890 20 0 EHADRM CC(=O)Nc1ccc(C)c(N[C@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC001589189861 985587330 /nfs/dbraw/zinc/58/73/30/985587330.db2.gz JEMUEAHOHHQQAD-INIZCTEOSA-N -1 0 332.787 3.845 20 0 EHADRM Cc1[nH]c(C(=O)N2CCC[C@@]2(C)Cc2ccccc2)c(C)c1C(=O)[O-] ZINC001599951251 985611342 /nfs/dbraw/zinc/61/13/42/985611342.db2.gz UYISEMSZIKEBCM-FQEVSTJZSA-N -1 0 340.423 3.567 20 0 EHADRM CC(=O)Nc1ccc(NC(=O)Nc2cc(C(=O)[O-])sc2C)cc1C ZINC001589195956 985624862 /nfs/dbraw/zinc/62/48/62/985624862.db2.gz QAURVXQXDGZQMF-UHFFFAOYSA-N -1 0 347.396 3.666 20 0 EHADRM Cc1[nH]c(C(=O)NCCc2csc3ccccc23)c(C)c1C(=O)[O-] ZINC001599952568 985634513 /nfs/dbraw/zinc/63/45/13/985634513.db2.gz RJWFLLZNUJPECJ-UHFFFAOYSA-N -1 0 342.420 3.517 20 0 EHADRM Cc1[nH]c(C(=O)N[C@H]2CCC[C@H](c3ccccc3)C2)c(C)c1C(=O)[O-] ZINC001599952687 985635649 /nfs/dbraw/zinc/63/56/49/985635649.db2.gz LPBLEZBWCRMGMU-HOTGVXAUSA-N -1 0 340.423 3.786 20 0 EHADRM CC(=O)Nc1cccc(C(=O)O[C@@H](CC2CCCCC2)C(=O)[O-])c1C ZINC001589206231 985676078 /nfs/dbraw/zinc/67/60/78/985676078.db2.gz VLDIWPBOFFJZOC-KRWDZBQOSA-N -1 0 347.411 3.534 20 0 EHADRM CC(=O)[C@@H]1C[C@H](CC(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)C1(C)C ZINC001589234554 985792690 /nfs/dbraw/zinc/79/26/90/985792690.db2.gz UPFFIOOPOMQRNL-ZBFHGGJFSA-N -1 0 346.423 3.596 20 0 EHADRM CC(=O)c1c(F)cccc1OCc1ccc(C(=O)[O-])c2cccnc12 ZINC001589253759 985877360 /nfs/dbraw/zinc/87/73/60/985877360.db2.gz RXVIIJGNOSDALW-UHFFFAOYSA-N -1 0 339.322 3.854 20 0 EHADRM CC(=O)c1c(C)cc(OC(=O)CCc2ccc(C(=O)[O-])cc2)cc1C ZINC001589253922 985882014 /nfs/dbraw/zinc/88/20/14/985882014.db2.gz CTBUVSAFJRHUNR-UHFFFAOYSA-N -1 0 340.375 3.742 20 0 EHADRM CC(=O)c1c(C)cc(NC(=O)c2ccc(C(=O)[O-])cc2F)cc1C ZINC001589255002 985888614 /nfs/dbraw/zinc/88/86/14/985888614.db2.gz QPAHDQJVXJRVRR-UHFFFAOYSA-N -1 0 329.327 3.596 20 0 EHADRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N(CC(=O)[O-])C1CCCC1 ZINC001599966700 985918450 /nfs/dbraw/zinc/91/84/50/985918450.db2.gz VXZHJOPIUQYKGB-UHFFFAOYSA-N -1 0 334.803 3.599 20 0 EHADRM Cc1[nH]c2ccccc2c1Cc1noc([C@H]2CCC[C@@H](C(=O)[O-])C2)n1 ZINC001599967225 985927515 /nfs/dbraw/zinc/92/75/15/985927515.db2.gz YOTLFFHIWGHTHR-QWHCGFSZSA-N -1 0 339.395 3.809 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2c(C)c(C(=O)[O-])ccc2Cl)s1 ZINC001589277242 985993482 /nfs/dbraw/zinc/99/34/82/985993482.db2.gz ISLCFTWBINWLBW-UHFFFAOYSA-N -1 0 337.784 3.863 20 0 EHADRM CC(=O)c1ccc(CC(=O)Nc2cc3ccccc3cc2C(=O)[O-])cc1 ZINC001589283207 986008033 /nfs/dbraw/zinc/00/80/33/986008033.db2.gz FJFXSZJWDLTLII-UHFFFAOYSA-N -1 0 347.370 3.922 20 0 EHADRM CC(=O)c1ccc(NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1C ZINC001589290103 986023521 /nfs/dbraw/zinc/02/35/21/986023521.db2.gz JDGQRHATVOYEIT-UHFFFAOYSA-N -1 0 340.379 3.560 20 0 EHADRM CCC[C@@H](CC)S(=O)(=O)Nc1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000579844942 1015190500 /nfs/dbraw/zinc/19/05/00/1015190500.db2.gz RZKBFTSZJAZBRU-SWLSCSKDSA-N -1 0 327.446 3.585 20 0 EHADRM C[C@@H]1CN(Cc2ccc(C(=O)[O-])c(F)c2)c2cccc(Cl)c2O1 ZINC001594537716 986162550 /nfs/dbraw/zinc/16/25/50/986162550.db2.gz ISRLTCZPDKMOGZ-SNVBAGLBSA-N -1 0 335.762 3.965 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)[C@H](C)c3ccccc3)ccc2n1C ZINC001599985618 986223238 /nfs/dbraw/zinc/22/32/38/986223238.db2.gz HFOGPYYLUWAWRE-GFCCVEGCSA-N -1 0 337.375 3.894 20 0 EHADRM C[C@@H](C(=O)N(Cc1ccccc1)C(C)(C)C(=O)[O-])c1ccsc1 ZINC001589341797 986257302 /nfs/dbraw/zinc/25/73/02/986257302.db2.gz BKWBEBHXLZQIDC-CYBMUJFWSA-N -1 0 331.437 3.744 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)[C@@H](C)c1ccccc1C(F)(F)F)C1CCC1 ZINC001589342199 986264885 /nfs/dbraw/zinc/26/48/85/986264885.db2.gz ZKHMCPFWWURZJJ-WDEREUQCSA-N -1 0 343.345 3.663 20 0 EHADRM C[C@@H]1CN(c2cc(C(F)(F)F)c(C(=O)[O-])cn2)[C@@H]2CCCC[C@H]21 ZINC001594561643 986320371 /nfs/dbraw/zinc/32/03/71/986320371.db2.gz LSSYZLUAVQEAJL-GBIKHYSHSA-N -1 0 328.334 3.814 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC001597016155 986375306 /nfs/dbraw/zinc/37/53/06/986375306.db2.gz MQXVQNFLUCCTDP-AWEZNQCLSA-N -1 0 345.782 3.715 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NC(C)(C)c1ccccc1 ZINC001597016871 986386472 /nfs/dbraw/zinc/38/64/72/986386472.db2.gz MHQZEOGVUIVUCH-UHFFFAOYSA-N -1 0 342.395 3.840 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@H](C(C)C)C1 ZINC001597016837 986386672 /nfs/dbraw/zinc/38/66/72/986386672.db2.gz LHIMNCYFTIQBSM-AWEZNQCLSA-N -1 0 334.416 3.683 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NC[C@@H]1CCCC1(C)C ZINC001597020792 986404647 /nfs/dbraw/zinc/40/46/47/986404647.db2.gz GVFYBMBFWKSLOD-ZDUSSCGKSA-N -1 0 334.416 3.731 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1cc2c(s1)CCCC2 ZINC001597025757 986432312 /nfs/dbraw/zinc/43/23/12/986432312.db2.gz NIXIWOMJEXWXTL-UHFFFAOYSA-N -1 0 345.420 3.976 20 0 EHADRM CCOc1cc(/C=C/C(=O)Nc2scc(C(=O)[O-])c2C)ccc1O ZINC001597032538 986456841 /nfs/dbraw/zinc/45/68/41/986456841.db2.gz HITMVDLBQUEWJM-FNORWQNLSA-N -1 0 347.392 3.511 20 0 EHADRM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001589385659 986478295 /nfs/dbraw/zinc/47/82/95/986478295.db2.gz LBAZIFKSMNQRJJ-BDJLRTHQSA-N -1 0 349.789 3.915 20 0 EHADRM C[C@@H](C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F)c1ccco1 ZINC001589387040 986490807 /nfs/dbraw/zinc/49/08/07/986490807.db2.gz DBELQSGRZRUAMW-RNCFNFMXSA-N -1 0 341.285 3.501 20 0 EHADRM CCOc1ccc([C@H](C)Nc2cc(CC(=O)[O-])ccn2)cc1OCC ZINC001597074991 986604310 /nfs/dbraw/zinc/60/43/10/986604310.db2.gz XSRYIJHLKISGQM-ZDUSSCGKSA-N -1 0 344.411 3.679 20 0 EHADRM C[C@@H]1CSc2ccc(Cl)cc2N(C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001594612510 986610299 /nfs/dbraw/zinc/61/02/99/986610299.db2.gz QLQQSMFZHABYEJ-GARJFASQSA-N -1 0 339.844 3.526 20 0 EHADRM CCOc1ccc(C[C@H](C)C(=O)N(CC(=O)[O-])C2CCCCC2)cc1 ZINC001597082229 986633770 /nfs/dbraw/zinc/63/37/70/986633770.db2.gz BIPONJMSBURHNQ-HNNXBMFYSA-N -1 0 347.455 3.510 20 0 EHADRM C[C@H]1Cc2cccc(C(=O)Nc3cc(F)cc(Cl)c3C(=O)[O-])c2O1 ZINC001594619354 986650537 /nfs/dbraw/zinc/65/05/37/986650537.db2.gz CQUAZEMOJRFOMH-QMMMGPOBSA-N -1 0 349.745 3.753 20 0 EHADRM C[C@H]1Cc2cccc(C(=O)Nc3ccc(C(=O)[O-])c(Cl)c3)c2O1 ZINC001594622052 986664461 /nfs/dbraw/zinc/66/44/61/986664461.db2.gz ZGRPAQWMSLAFFI-VIFPVBQESA-N -1 0 331.755 3.614 20 0 EHADRM C[C@@H]1Cc2ccccc2N(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])C1 ZINC001594622575 986668170 /nfs/dbraw/zinc/66/81/70/986668170.db2.gz LYXACMRFAGVWTI-CYBMUJFWSA-N -1 0 348.402 3.634 20 0 EHADRM CCOc1ccc(CCN(C)C(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC001597094438 986679192 /nfs/dbraw/zinc/67/91/92/986679192.db2.gz BBDOURCAYRKMST-UHFFFAOYSA-N -1 0 348.424 3.551 20 0 EHADRM CCOc1ccc(CCC(=O)Oc2cc(C(=O)[O-])ccc2C)cc1 ZINC001597095476 986691364 /nfs/dbraw/zinc/69/13/64/986691364.db2.gz CRUIKRDVMVSEIA-UHFFFAOYSA-N -1 0 328.364 3.630 20 0 EHADRM C[C@@H]1N(Cc2ccc(-c3ccccc3C(=O)[O-])o2)CCOC1(C)C ZINC001594628092 986703075 /nfs/dbraw/zinc/70/30/75/986703075.db2.gz ZRITVBJFAJQLFG-ZDUSSCGKSA-N -1 0 329.396 3.644 20 0 EHADRM C[C@H](C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)c1ccc2ccccc2c1 ZINC001589431046 986724121 /nfs/dbraw/zinc/72/41/21/986724121.db2.gz WETBLSQKSQRUMH-IQRYMVJYSA-N -1 0 337.419 3.559 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)c1cccs1 ZINC001589435833 986747702 /nfs/dbraw/zinc/74/77/02/986747702.db2.gz MIRRHCHLZYCKSU-SSDOTTSWSA-N -1 0 327.764 3.981 20 0 EHADRM CCOc1ccc(NC(=O)N[C@@H](CC(=O)[O-])c2cccs2)c(C)c1 ZINC001597119379 986806501 /nfs/dbraw/zinc/80/65/01/986806501.db2.gz UJJFLCPFCIGRTH-AWEZNQCLSA-N -1 0 348.424 3.793 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1ccc2c(c1)CCC=C2)c1ccccc1 ZINC001589461491 986911105 /nfs/dbraw/zinc/91/11/05/986911105.db2.gz FCNALVBWHJQULR-LIRRHRJNSA-N -1 0 335.403 3.838 20 0 EHADRM CCOc1cccc(/C=C/C(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001597149343 986918920 /nfs/dbraw/zinc/91/89/20/986918920.db2.gz JDZCJRTZRHKBFP-JXMROGBWSA-N -1 0 325.364 3.744 20 0 EHADRM CCOc1cccc(CCC(=O)N(CC2CC2)[C@](C)(CC)C(=O)[O-])c1 ZINC001597150537 986927580 /nfs/dbraw/zinc/92/75/80/986927580.db2.gz ULYSAXBRLHYZPH-HXUWFJFHSA-N -1 0 347.455 3.510 20 0 EHADRM C[C@H]1c2cc(Cl)c(Cl)cc2CCN1c1ccc(C(=O)[O-])nn1 ZINC001594665411 986959055 /nfs/dbraw/zinc/95/90/55/986959055.db2.gz FIYCJCRWKKACPJ-QMMMGPOBSA-N -1 0 338.194 3.605 20 0 EHADRM C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1c1nccc(C(=O)[O-])n1 ZINC001594666671 986966892 /nfs/dbraw/zinc/96/68/92/986966892.db2.gz YJMVAJGQUVZCKQ-MRVPVSSYSA-N -1 0 338.194 3.605 20 0 EHADRM CCOc1ccccc1-c1nnc(S[C@@H](C(=O)[O-])[C@@H](C)CC)o1 ZINC001597168068 986995543 /nfs/dbraw/zinc/99/55/43/986995543.db2.gz WNPMNLYYJPDJBR-GXFFZTMASA-N -1 0 336.413 3.727 20 0 EHADRM CCOc1ccccc1C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC001597168606 986998622 /nfs/dbraw/zinc/99/86/22/986998622.db2.gz XLJCIOGWKREZIC-OAHLLOKOSA-N -1 0 347.798 3.685 20 0 EHADRM C/C=C(/C=C/C(=O)N1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1)CC ZINC001594677297 987013607 /nfs/dbraw/zinc/01/36/07/987013607.db2.gz JHNGCRNBECUMLM-QQOZUKOZSA-N -1 0 349.377 3.504 20 0 EHADRM CC/C(=C\C(=O)N[C@@H](CC(=O)[O-])C1CCCC1)c1ccc(OC)cc1 ZINC001594691043 987087130 /nfs/dbraw/zinc/08/71/30/987087130.db2.gz OEBQFNJHTMRYRD-SZEUEKNRSA-N -1 0 345.439 3.638 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)cc1 ZINC001589510865 987137271 /nfs/dbraw/zinc/13/72/71/987137271.db2.gz XEIFJWGXOKTDFH-MGBSGCIJSA-N -1 0 330.428 3.917 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2ncsc2C(F)(F)F)cc1 ZINC001589521434 987166288 /nfs/dbraw/zinc/16/62/88/987166288.db2.gz OWEMDMTWOIIPKN-ZETCQYMHSA-N -1 0 344.314 3.602 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cnc(CC3CC3)s2)cc1 ZINC001589522068 987173216 /nfs/dbraw/zinc/17/32/16/987173216.db2.gz ZCUSUERNNBBRGI-JTQLQIEISA-N -1 0 330.409 3.536 20 0 EHADRM CCC(=O)Nc1ccc(Nc2nc(Cl)c(C(=O)[O-])s2)cc1 ZINC001594713140 987180392 /nfs/dbraw/zinc/18/03/92/987180392.db2.gz DNNHUFQBNCPNHE-UHFFFAOYSA-N -1 0 325.777 3.587 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NCC(C)(C)NC(=O)OC(C)(C)C)c1 ZINC001589531264 987201440 /nfs/dbraw/zinc/20/14/40/987201440.db2.gz CENJWRMFMUVKGA-LBPRGKRZSA-N -1 0 336.432 3.590 20 0 EHADRM CCC(=O)c1cccc(NC(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)c1 ZINC001594722301 987211018 /nfs/dbraw/zinc/21/10/18/987211018.db2.gz NTPUPBWFVSYQHW-MRXNPFEDSA-N -1 0 346.427 3.682 20 0 EHADRM CC[C@H](C(=O)N[C@@H](CC1CC1)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001594729047 987239020 /nfs/dbraw/zinc/23/90/20/987239020.db2.gz MOEYDJCXHLWLQS-KBPBESRZSA-N -1 0 343.345 3.569 20 0 EHADRM CC[C@@H](C(=O)N[C@H](CC1CC1)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001594729084 987239201 /nfs/dbraw/zinc/23/92/01/987239201.db2.gz MOEYDJCXHLWLQS-ZIAGYGMSSA-N -1 0 343.345 3.569 20 0 EHADRM C[C@H](C(=O)OCc1ccsc1C(=O)[O-])c1cn(C)c2ccccc12 ZINC001589546862 987269065 /nfs/dbraw/zinc/26/90/65/987269065.db2.gz JLNDTZYLKADGAV-NSHDSACASA-N -1 0 343.404 3.785 20 0 EHADRM CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001597258832 987273641 /nfs/dbraw/zinc/27/36/41/987273641.db2.gz WNYPDRTTZCVINV-GJZGRUSLSA-N -1 0 336.457 3.879 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)NCc1cc(C(=O)[O-])co1 ZINC001597271172 987318013 /nfs/dbraw/zinc/31/80/13/987318013.db2.gz XWKXOQAVFOGZSF-UHFFFAOYSA-N -1 0 339.800 3.673 20 0 EHADRM CCSc1cccc(C(=O)Nc2nc3c(cccc3C(=O)[O-])[nH]2)c1 ZINC001597272703 987323172 /nfs/dbraw/zinc/32/31/72/987323172.db2.gz JOXZPJQMVATRDX-UHFFFAOYSA-N -1 0 341.392 3.625 20 0 EHADRM CCSc1ccc(CC(=O)N(CC(=O)[O-])c2cccc(F)c2)cc1 ZINC001597273172 987327414 /nfs/dbraw/zinc/32/74/14/987327414.db2.gz SGQQZLXSEBVGSD-UHFFFAOYSA-N -1 0 347.411 3.598 20 0 EHADRM CC(C)(C(=O)NC[C@@H](CC1CC1)C(=O)[O-])c1cccc2ccccc21 ZINC001589566806 987330679 /nfs/dbraw/zinc/33/06/79/987330679.db2.gz FQPVQLQPKMQEMW-MRXNPFEDSA-N -1 0 339.435 3.735 20 0 EHADRM CCSc1cccc(F)c1NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001597277621 987337048 /nfs/dbraw/zinc/33/70/48/987337048.db2.gz WZZGQOXDEGFVGD-MNOVXSKESA-N -1 0 340.420 3.703 20 0 EHADRM CCSc1nnc(S[C@@H](C(=O)[O-])c2ccccc2C)s1 ZINC001597279720 987344477 /nfs/dbraw/zinc/34/44/77/987344477.db2.gz JLOLXGTYANFGSH-SNVBAGLBSA-N -1 0 326.468 3.877 20 0 EHADRM CC[C@H](NC(=O)NCCc1ccccc1C(=O)[O-])c1ccccc1F ZINC001597335802 987471724 /nfs/dbraw/zinc/47/17/24/987471724.db2.gz DHYWYPLUBYTHCL-KRWDZBQOSA-N -1 0 344.386 3.517 20 0 EHADRM CCc1[nH]c(C(=O)N2CC[C@@H]([C@@H]3CCCC3(C)C)C2)c(C)c1C(=O)[O-] ZINC001597357888 987511506 /nfs/dbraw/zinc/51/15/06/987511506.db2.gz NXLKSCOWFUCDNJ-KGLIPLIRSA-N -1 0 346.471 3.872 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2ccc3scnc3c2)cc1 ZINC001589638456 987559646 /nfs/dbraw/zinc/55/96/46/987559646.db2.gz ARCMUVZGZVJFBF-UHFFFAOYSA-N -1 0 340.404 3.911 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(NC(=O)C/C=C/Cc2ccccc2)n1 ZINC001589648773 987582351 /nfs/dbraw/zinc/58/23/51/987582351.db2.gz CCYUVSGXIQLFGW-VOTSOKGWSA-N -1 0 344.436 3.633 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(NC(=O)C2C3CC4CC(C3)CC2C4)n1 ZINC001589649088 987585198 /nfs/dbraw/zinc/58/51/98/987585198.db2.gz IDYNLICNTYEQDG-UHFFFAOYSA-N -1 0 348.468 3.516 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(NC(=O)c2sccc2C2CC2)n1 ZINC001589657004 987626719 /nfs/dbraw/zinc/62/67/19/987626719.db2.gz ITSYBXKFGSHSER-UHFFFAOYSA-N -1 0 336.438 3.697 20 0 EHADRM CCc1[nH]c(CNc2nc3ccccc3n2C(C)C)cc1C(=O)[O-] ZINC001597398684 987652971 /nfs/dbraw/zinc/65/29/71/987652971.db2.gz QFQSQOGSQLJVPE-UHFFFAOYSA-N -1 0 326.400 3.818 20 0 EHADRM CC(C)(C)C(=O)CS[C@H](C(=O)[O-])c1ccccc1Br ZINC001589685958 987729099 /nfs/dbraw/zinc/72/90/99/987729099.db2.gz LLQVCSCWFVCYHW-LBPRGKRZSA-N -1 0 345.258 3.923 20 0 EHADRM CCc1cc(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)oc1CC ZINC001597433734 987776938 /nfs/dbraw/zinc/77/69/38/987776938.db2.gz JQKAXLIDIFVIMT-UHFFFAOYSA-N -1 0 326.352 3.836 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)/C=C\c1ccsc1C(F)(F)F ZINC001589700388 987790815 /nfs/dbraw/zinc/79/08/15/987790815.db2.gz KJSIFAKBTUBOKU-UMCURTJPSA-N -1 0 349.374 3.786 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)[C@H]2C[C@]2(F)c2ccccc2)s1 ZINC001597440352 987798488 /nfs/dbraw/zinc/79/84/88/987798488.db2.gz DEEBBNRIWSFAIH-DYVFJYSZSA-N -1 0 333.384 3.832 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC001589702616 987801809 /nfs/dbraw/zinc/80/18/09/987801809.db2.gz NACIPJFVQPRYFT-GFCCVEGCSA-N -1 0 346.349 3.802 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2noc3c2CC(C)(C)CC3)s1 ZINC001597446168 987823235 /nfs/dbraw/zinc/82/32/35/987823235.db2.gz ZYGAGWQTGHFJOX-UHFFFAOYSA-N -1 0 348.424 3.764 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC001597450364 987840373 /nfs/dbraw/zinc/84/03/73/987840373.db2.gz XGTWXDUKFSOFNB-OAHLLOKOSA-N -1 0 329.783 3.879 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)COc1cccc(Cl)c1 ZINC001597452863 987852203 /nfs/dbraw/zinc/85/22/03/987852203.db2.gz ZCDXIAWHIUKPQW-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM CC(C)(C)[C@H](NC(=O)Cc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC001589716890 987862431 /nfs/dbraw/zinc/86/24/31/987862431.db2.gz UATFIZDVABKLDA-GOSISDBHSA-N -1 0 343.398 3.970 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cc(Cl)cc(OC)c1 ZINC001597465005 987901258 /nfs/dbraw/zinc/90/12/58/987901258.db2.gz OMMQIGUCPDGDCD-UHFFFAOYSA-N -1 0 333.771 3.862 20 0 EHADRM CC(C)(C)[C@H]1CCN1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001589731572 987948010 /nfs/dbraw/zinc/94/80/10/987948010.db2.gz DHZPWFYZEKCKQG-CQSZACIVSA-N -1 0 336.457 3.657 20 0 EHADRM CS[C@H]1CC[C@H](N(C)C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC001599787788 987953586 /nfs/dbraw/zinc/95/35/86/987953586.db2.gz HWWDVPKNYTUSNR-QWRGUYRKSA-N -1 0 342.848 3.786 20 0 EHADRM CCc1cc(Cl)cnc1NC(=O)NC1(CC(=O)[O-])CCCCC1 ZINC001597478193 987957538 /nfs/dbraw/zinc/95/75/38/987957538.db2.gz GCNNSZSAILPETM-UHFFFAOYSA-N -1 0 339.823 3.597 20 0 EHADRM CC(C)(C)/C=C\C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001589738615 988004556 /nfs/dbraw/zinc/00/45/56/988004556.db2.gz PYSZGFMBIQCQRM-KTKRTIGZSA-N -1 0 330.428 3.916 20 0 EHADRM CSC1CCN(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CC1 ZINC001599790804 988005090 /nfs/dbraw/zinc/00/50/90/988005090.db2.gz MEBVEHVKEBTFHY-UHFFFAOYSA-N -1 0 344.436 3.897 20 0 EHADRM CCc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001597494908 988039545 /nfs/dbraw/zinc/03/95/45/988039545.db2.gz LBVLCWNINGKAIT-UHFFFAOYSA-N -1 0 348.196 3.962 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)NCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC001589745654 988041336 /nfs/dbraw/zinc/04/13/36/988041336.db2.gz RWAAUORPYYZMRM-AWEZNQCLSA-N -1 0 340.851 3.981 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)Cc1scnc1-c1ccccc1)C(=O)[O-] ZINC001589760090 988082572 /nfs/dbraw/zinc/08/25/72/988082572.db2.gz NGEHTMRHYBLZJI-ZDUSSCGKSA-N -1 0 347.436 3.785 20 0 EHADRM CCc1ccc(C(C)(C)C(=O)Nc2cc(C)c(C(=O)[O-])c(C)n2)cc1 ZINC001597508341 988087546 /nfs/dbraw/zinc/08/75/46/988087546.db2.gz NUBLDQVARLPYNR-UHFFFAOYSA-N -1 0 340.423 3.875 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)NCc2ccccc2C(=O)[O-])cc1 ZINC001597511971 988094943 /nfs/dbraw/zinc/09/49/43/988094943.db2.gz MNRNWAYWOQLQJN-CQSZACIVSA-N -1 0 325.408 3.757 20 0 EHADRM CC(C)(C)C[C@@H]1CCN(C(=O)NC[C@H](CC(=O)[O-])C2CC2)C1(C)C ZINC001589764637 988105172 /nfs/dbraw/zinc/10/51/72/988105172.db2.gz QMFNDXNMLNDSOW-GJZGRUSLSA-N -1 0 338.492 3.734 20 0 EHADRM CC(C)(C)CCCC(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001589766652 988115498 /nfs/dbraw/zinc/11/54/98/988115498.db2.gz MPTSRSMXYRJJRW-OAHLLOKOSA-N -1 0 331.412 3.761 20 0 EHADRM CC(C)(C)CCCCNC(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001589771805 988125105 /nfs/dbraw/zinc/12/51/05/988125105.db2.gz IJXHBXNDLBKKOQ-UHFFFAOYSA-N -1 0 332.444 3.669 20 0 EHADRM CCc1ccc([C@@H]2CN(c3ncc(C(=O)[O-])cc3Cl)CCO2)cc1 ZINC001597520022 988145135 /nfs/dbraw/zinc/14/51/35/988145135.db2.gz KYDHTPUEWOHBPN-INIZCTEOSA-N -1 0 346.814 3.574 20 0 EHADRM CC(C)(C)CN(C(=O)c1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC001589779994 988145922 /nfs/dbraw/zinc/14/59/22/988145922.db2.gz DIEHBGNCSAUOAL-UHFFFAOYSA-N -1 0 341.407 3.843 20 0 EHADRM CCc1ccc([C@H]2CN(c3ncc(C(=O)[O-])cc3Cl)CCO2)cc1 ZINC001597520023 988146718 /nfs/dbraw/zinc/14/67/18/988146718.db2.gz KYDHTPUEWOHBPN-MRXNPFEDSA-N -1 0 346.814 3.574 20 0 EHADRM CCc1ccc(CC(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)nc1 ZINC001597521257 988154690 /nfs/dbraw/zinc/15/46/90/988154690.db2.gz LUVBKSUQJLNVDT-GOSISDBHSA-N -1 0 346.471 3.507 20 0 EHADRM CC(C)(C)N(Cc1ccc(F)cc1)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001589795527 988190141 /nfs/dbraw/zinc/19/01/41/988190141.db2.gz FILDNZLHGILOPK-HUUCEWRRSA-N -1 0 335.419 3.844 20 0 EHADRM CCc1ccc(N(CC2CC2)C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC001597532512 988192801 /nfs/dbraw/zinc/19/28/01/988192801.db2.gz GPNQBINOLRQUHA-ZWKOTPCHSA-N -1 0 329.440 3.883 20 0 EHADRM CSCc1cc(C(=O)Nc2cc(C)c(C(=O)[O-])c(C)n2)ccc1F ZINC001599802159 988194359 /nfs/dbraw/zinc/19/43/59/988194359.db2.gz DLPCOKTYMHQVKI-UHFFFAOYSA-N -1 0 348.399 3.651 20 0 EHADRM CCc1ccc(NC(=O)C(F)(F)c2ccc(C)cc2)c(C(=O)[O-])c1 ZINC001597542676 988232627 /nfs/dbraw/zinc/23/26/27/988232627.db2.gz GQIZTYISZQUDKH-UHFFFAOYSA-N -1 0 333.334 3.986 20 0 EHADRM CCc1ccc(NC(=O)Cc2ccc3cccnc3c2)c(C(=O)[O-])c1 ZINC001597545007 988244912 /nfs/dbraw/zinc/24/49/12/988244912.db2.gz LJPYJQBKCTWDDM-UHFFFAOYSA-N -1 0 334.375 3.677 20 0 EHADRM CCc1ccc(NC(=O)Cc2c[nH]c3cc(F)ccc23)c(C(=O)[O-])c1 ZINC001597545073 988246389 /nfs/dbraw/zinc/24/63/89/988246389.db2.gz PLLQGPGPWNLCEX-UHFFFAOYSA-N -1 0 340.354 3.749 20 0 EHADRM CCc1ccc(NC(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)cc1 ZINC001597546588 988250698 /nfs/dbraw/zinc/25/06/98/988250698.db2.gz GYVIVDCBHNVWKO-UHFFFAOYSA-N -1 0 333.413 3.712 20 0 EHADRM CSc1c(F)cccc1NC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001599806449 988263463 /nfs/dbraw/zinc/26/34/63/988263463.db2.gz WSCDYPJGYNYEBY-UHFFFAOYSA-N -1 0 337.416 3.911 20 0 EHADRM CCc1ccc(NC(=O)c2cnn(CCC(C)C)c2C)c(C(=O)[O-])c1 ZINC001597550939 988270490 /nfs/dbraw/zinc/27/04/90/988270490.db2.gz QCWHHZJYGGFKQI-UHFFFAOYSA-N -1 0 343.427 3.751 20 0 EHADRM CSc1cc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)ccc1F ZINC001599807507 988279095 /nfs/dbraw/zinc/27/90/95/988279095.db2.gz IBKMRSFLLNPCBV-UHFFFAOYSA-N -1 0 333.384 3.518 20 0 EHADRM CSc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)ccn1 ZINC001599807794 988283983 /nfs/dbraw/zinc/28/39/83/988283983.db2.gz WRMBXEZITCRVRQ-UHFFFAOYSA-N -1 0 346.408 3.541 20 0 EHADRM CCc1ccc2c(c1)CCN2C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001597568421 988325368 /nfs/dbraw/zinc/32/53/68/988325368.db2.gz FCIIPHHILIXBTJ-UHFFFAOYSA-N -1 0 338.407 3.861 20 0 EHADRM CCc1ccc2c(c1)[C@H](N[C@H](C)c1ncc(C(=O)[O-])s1)CCO2 ZINC001597569622 988337249 /nfs/dbraw/zinc/33/72/49/988337249.db2.gz YANVPZAUABEMBX-ZWNOBZJWSA-N -1 0 332.425 3.578 20 0 EHADRM CCc1ccc2occ(C(=O)Nc3nc(CCC(=O)[O-])cs3)c2c1 ZINC001597570623 988348214 /nfs/dbraw/zinc/34/82/14/988348214.db2.gz UMLLWBQETNWXSY-UHFFFAOYSA-N -1 0 344.392 3.721 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)COc1cccc(Cl)c1C ZINC001597572831 988355461 /nfs/dbraw/zinc/35/54/61/988355461.db2.gz NPOWQSHGDALEPP-UHFFFAOYSA-N -1 0 347.798 3.927 20 0 EHADRM CSc1ccc(C)c(C(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)c1 ZINC001599812565 988363581 /nfs/dbraw/zinc/36/35/81/988363581.db2.gz ZMZVIWNDZJNZLR-KRWDZBQOSA-N -1 0 343.448 3.889 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)[C@H](C)c1cccc(OC)c1 ZINC001597576040 988364278 /nfs/dbraw/zinc/36/42/78/988364278.db2.gz IPAGDLIKJOTQAB-GFCCVEGCSA-N -1 0 327.380 3.698 20 0 EHADRM CCc1cccc(CC)c1NC(=O)NCc1cc(C)c(C(=O)[O-])o1 ZINC001597584899 988392720 /nfs/dbraw/zinc/39/27/20/988392720.db2.gz IMKHAUAVCSEXSQ-UHFFFAOYSA-N -1 0 330.384 3.733 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)c1ccoc1CC(=O)[O-] ZINC001599814524 988398836 /nfs/dbraw/zinc/39/88/36/988398836.db2.gz NUMPTCRRUAIUBP-UHFFFAOYSA-N -1 0 325.773 3.534 20 0 EHADRM CSc1ccc(NC(=O)[C@H](C)Sc2ncccc2C(=O)[O-])cc1 ZINC001599815461 988415630 /nfs/dbraw/zinc/41/56/30/988415630.db2.gz AYMZDIUOFHTTHW-JTQLQIEISA-N -1 0 348.449 3.621 20 0 EHADRM CSc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1C(=O)[O-] ZINC001599815606 988417744 /nfs/dbraw/zinc/41/77/44/988417744.db2.gz DEEXCQHIBCITCA-GFCCVEGCSA-N -1 0 345.420 3.821 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cnc(-c2ccco2)s1 ZINC001597593198 988426661 /nfs/dbraw/zinc/42/66/61/988426661.db2.gz NWYUGEZQTXYZKM-UHFFFAOYSA-N -1 0 342.376 3.916 20 0 EHADRM CSc1ccc(NC(=O)N(C)Cc2ccc(F)cc2)cc1C(=O)[O-] ZINC001599816360 988432069 /nfs/dbraw/zinc/43/20/69/988432069.db2.gz FEDVLXCDGFTXNI-UHFFFAOYSA-N -1 0 348.399 3.910 20 0 EHADRM CSc1ccc([C@H](C)NC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)cc1 ZINC001599821112 988515975 /nfs/dbraw/zinc/51/59/75/988515975.db2.gz IJKFJHQYNFAGDV-JTQLQIEISA-N -1 0 332.425 3.543 20 0 EHADRM CCc1ccccc1NC(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001597614326 988517324 /nfs/dbraw/zinc/51/73/24/988517324.db2.gz BBGBCTNQLSKESC-SJORKVTESA-N -1 0 338.407 3.581 20 0 EHADRM CCc1ccccc1OCC(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC001597616600 988540333 /nfs/dbraw/zinc/54/03/33/988540333.db2.gz OSZOSRACHOAEMP-UHFFFAOYSA-N -1 0 334.755 3.585 20 0 EHADRM CSc1ccccc1OC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001599825325 988589143 /nfs/dbraw/zinc/58/91/43/988589143.db2.gz SZGSVJZYCMWAGQ-UHFFFAOYSA-N -1 0 341.388 3.667 20 0 EHADRM CSc1ccccc1[C@H](C)NC(=O)Nc1cc(C)c(C(=O)[O-])cn1 ZINC001599826279 988602764 /nfs/dbraw/zinc/60/27/64/988602764.db2.gz KBIUAYBNGQCQAU-NSHDSACASA-N -1 0 345.424 3.693 20 0 EHADRM CCc1cncc(C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])c1 ZINC001597633416 988606908 /nfs/dbraw/zinc/60/69/08/988606908.db2.gz DGUYNJWEKKQJMS-UHFFFAOYSA-N -1 0 332.425 3.954 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)c2cc(OC)ccc2Cl)n1 ZINC000127326548 1015406648 /nfs/dbraw/zinc/40/66/48/1015406648.db2.gz AXIBSIRRNZFPEJ-UHFFFAOYSA-N -1 0 346.861 3.558 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)Nc1cccc(CCCc2ccccc2)c1 ZINC001599833011 988701951 /nfs/dbraw/zinc/70/19/51/988701951.db2.gz WZHIZLQKVNHVFS-HNNXBMFYSA-N -1 0 340.423 3.847 20 0 EHADRM CCc1nc([C@@H](C)NC(=O)Nc2cc(C(=O)[O-])sc2C)cs1 ZINC001597655690 988703680 /nfs/dbraw/zinc/70/36/80/988703680.db2.gz BDOPRMJMSDEEEB-SSDOTTSWSA-N -1 0 339.442 3.656 20 0 EHADRM CCc1nc([C@H]2CCCCN2Cc2cc(C(=O)[O-])c(C(C)C)[nH]2)no1 ZINC001597662938 988738681 /nfs/dbraw/zinc/73/86/81/988738681.db2.gz GTUSJYBQEHZEOD-CQSZACIVSA-N -1 0 346.431 3.509 20 0 EHADRM C[C@@H](NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(F)cc1Cl ZINC001599837458 988767016 /nfs/dbraw/zinc/76/70/16/988767016.db2.gz JILNLGWKJJQFPT-OUAUKWLOSA-N -1 0 327.783 3.547 20 0 EHADRM CCc1nc(NC(=O)[C@@H](OC(C)C)c2ccccc2)sc1C(=O)[O-] ZINC001597675457 988784404 /nfs/dbraw/zinc/78/44/04/988784404.db2.gz CVBWJVDXFSRSDT-ZDUSSCGKSA-N -1 0 348.424 3.509 20 0 EHADRM CCc1nc(NC(=O)CCc2ccc(C)cc2C)sc1C(=O)[O-] ZINC001597678013 988794582 /nfs/dbraw/zinc/79/45/82/988794582.db2.gz IICTXBXSSNEIAW-UHFFFAOYSA-N -1 0 332.425 3.592 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001599847171 988953470 /nfs/dbraw/zinc/95/34/70/988953470.db2.gz IYZCQNSONLSIJL-AEZGRPFRSA-N -1 0 333.771 3.864 20 0 EHADRM CCc1nn(C)cc1NC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001597723787 989011797 /nfs/dbraw/zinc/01/17/97/989011797.db2.gz SOGKGXFXKFPQST-UHFFFAOYSA-N -1 0 344.396 3.539 20 0 EHADRM C[C@H](C(=O)N(Cc1ccccc1)C(C)(C)C(=O)[O-])c1ccccc1 ZINC001599884963 989539895 /nfs/dbraw/zinc/53/98/95/989539895.db2.gz QREMQXYBDSKBJZ-HNNXBMFYSA-N -1 0 325.408 3.682 20 0 EHADRM CCn1c(C)cc(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)c1C ZINC001597843694 989552847 /nfs/dbraw/zinc/55/28/47/989552847.db2.gz TWWQHAUSTCFSKO-UHFFFAOYSA-N -1 0 338.766 3.868 20 0 EHADRM CCn1c(C)nnc1S[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001597844764 989559599 /nfs/dbraw/zinc/55/95/99/989559599.db2.gz RNJXVSJWWNIEPH-LLVKDONJSA-N -1 0 346.239 3.831 20 0 EHADRM CCn1c(C)nnc1S[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001597845489 989562233 /nfs/dbraw/zinc/56/22/33/989562233.db2.gz XQZGDSFXCIOLCV-NSHDSACASA-N -1 0 346.239 3.831 20 0 EHADRM CCn1cc([C@@H](C)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)cn1 ZINC001597882856 989715683 /nfs/dbraw/zinc/71/56/83/989715683.db2.gz WHKCBOJYDLBHEC-YMTOWFKASA-N -1 0 342.226 3.686 20 0 EHADRM CC(C)(C)OC(=O)Nc1cc(NCc2c[nH]c(C(=O)[O-])c2)ccc1F ZINC001590297473 989723774 /nfs/dbraw/zinc/72/37/74/989723774.db2.gz SKDDKZRKHHAQNL-UHFFFAOYSA-N -1 0 349.362 3.811 20 0 EHADRM CCn1cc(CNc2ccc(N3CCCCC3)c(C(=O)[O-])c2)c(C)n1 ZINC001597890306 989744339 /nfs/dbraw/zinc/74/43/39/989744339.db2.gz JKNCBXGFEYRYOO-UHFFFAOYSA-N -1 0 342.443 3.512 20 0 EHADRM CC(C)(C)OCCCC(=O)OCc1c(Cl)cccc1C(=O)[O-] ZINC001590381447 989893984 /nfs/dbraw/zinc/89/39/84/989893984.db2.gz AUQLCOFEXKQODG-UHFFFAOYSA-N -1 0 328.792 3.677 20 0 EHADRM CC(C)(C)OCc1ccc(NC(=O)N2CCC[C@@](C)(C(=O)[O-])C2)cc1 ZINC001590396157 989921237 /nfs/dbraw/zinc/92/12/37/989921237.db2.gz OGCBKYYTHDBMIT-LJQANCHMSA-N -1 0 348.443 3.720 20 0 EHADRM CC(C)(C)O[C@@H]1C[C@H]1C(=O)Nc1c(C(=O)[O-])ccc2ccccc21 ZINC001590397936 989928603 /nfs/dbraw/zinc/92/86/03/989928603.db2.gz ZSOJGGDVHOVCJG-HUUCEWRRSA-N -1 0 327.380 3.680 20 0 EHADRM CC(C)(C)O[C@H]1C[C@@H](Nc2ncc(C(=O)[O-])cc2C(F)(F)F)C1 ZINC001590409762 989948705 /nfs/dbraw/zinc/94/87/05/989948705.db2.gz YZARYMUCBMOVCB-AOOOYVTPSA-N -1 0 332.322 3.557 20 0 EHADRM CC(C)(C)Oc1cccc(NC(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC001590419578 989960918 /nfs/dbraw/zinc/96/09/18/989960918.db2.gz DEZUVGBFOCCHGK-UHFFFAOYSA-N -1 0 342.395 3.884 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)c2ncc3ccccn32)s1 ZINC001590464062 990039595 /nfs/dbraw/zinc/03/95/95/990039595.db2.gz VBZYGKHWVMMKLC-UHFFFAOYSA-N -1 0 343.408 3.644 20 0 EHADRM CC(C)(C)c1ccc(CC(=O)N2CCc3ccc(C(=O)[O-])cc32)cc1 ZINC001590480650 990068645 /nfs/dbraw/zinc/06/86/45/990068645.db2.gz XRLNRSZGXBEFJX-UHFFFAOYSA-N -1 0 337.419 3.814 20 0 EHADRM CC(C)(C)c1ccc(C[S@](=O)Cc2cccc(C(=O)[O-])n2)cc1 ZINC001590487576 990088914 /nfs/dbraw/zinc/08/89/14/990088914.db2.gz QTQAXXDAZSHREA-QHCPKHFHSA-N -1 0 331.437 3.526 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)N2CCC(CC(=O)[O-])CC2)cc1F ZINC001590494559 990102509 /nfs/dbraw/zinc/10/25/09/990102509.db2.gz WSJLDSHGSWFJGC-UHFFFAOYSA-N -1 0 336.407 3.842 20 0 EHADRM CC(C)(C)c1cccc(NC(=O)c2ccc(/C=C/C(=O)[O-])o2)c1O ZINC001590498859 990110133 /nfs/dbraw/zinc/11/01/33/990110133.db2.gz LNIDOPLTBZWLMC-CSKARUKUSA-N -1 0 329.352 3.633 20 0 EHADRM CC(C)(C)c1cccc(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC001590499078 990110995 /nfs/dbraw/zinc/11/09/95/990110995.db2.gz PVYNDGDZXKJFGZ-OAQYLSRUSA-N -1 0 339.435 3.756 20 0 EHADRM CC(C)(C)c1cccc(OCC(=O)Nc2ccccc2C(=O)[O-])c1 ZINC001590499539 990113073 /nfs/dbraw/zinc/11/30/73/990113073.db2.gz YFYGBRMJRWGVPI-UHFFFAOYSA-N -1 0 327.380 3.700 20 0 EHADRM CC(C)(C)c1csc(-c2nc(-c3cccc(C(=O)[O-])c3)no2)n1 ZINC001590526641 990137104 /nfs/dbraw/zinc/13/71/04/990137104.db2.gz HBKYSSFPMRRGDW-UHFFFAOYSA-N -1 0 329.381 3.856 20 0 EHADRM CC(C)(C)c1n[nH]cc1C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001590536799 990149479 /nfs/dbraw/zinc/14/94/79/990149479.db2.gz HOQFPUHAVBNDPS-UHFFFAOYSA-N -1 0 337.379 3.811 20 0 EHADRM CC(C)(C)c1nc(C(=O)NC2(CCC(=O)[O-])CCCCC2)cs1 ZINC001590537724 990156425 /nfs/dbraw/zinc/15/64/25/990156425.db2.gz OQEJIVHFPJDUHC-UHFFFAOYSA-N -1 0 338.473 3.738 20 0 EHADRM CC(C)(C)c1nc(NC(=O)C[C@H]2CCCC2(F)F)sc1C(=O)[O-] ZINC001590545410 990180520 /nfs/dbraw/zinc/18/05/20/990180520.db2.gz UMRLKGLAODSYDK-MRVPVSSYSA-N -1 0 346.399 3.903 20 0 EHADRM CC(C)(C)c1ncsc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001590573233 990210578 /nfs/dbraw/zinc/21/05/78/990210578.db2.gz OMKJFVOCFBABFK-UHFFFAOYSA-N -1 0 340.351 3.669 20 0 EHADRM CC(C)(C)n1cc(CNc2ccc3sc(C(=O)[O-])cc3c2)nn1 ZINC001590593749 990249397 /nfs/dbraw/zinc/24/93/97/990249397.db2.gz QCFKMFGNIHDCPU-UHFFFAOYSA-N -1 0 330.413 3.558 20 0 EHADRM CC(C)(C)n1nc(C(=O)OCc2cccc(C(=O)[O-])c2)cc1C1CC1 ZINC001590601564 990259264 /nfs/dbraw/zinc/25/92/64/990259264.db2.gz MALINRROPIVLMA-UHFFFAOYSA-N -1 0 342.395 3.571 20 0 EHADRM CN(C(=O)NC[C@@H](CC(=O)[O-])C1CC1)C1CC(C)(C)CC(C)(C)C1 ZINC001598046750 990284564 /nfs/dbraw/zinc/28/45/64/990284564.db2.gz IOLGWSNKKDYQPR-CQSZACIVSA-N -1 0 338.492 3.734 20 0 EHADRM CC(C)(CC(=O)[O-])C(=O)OCc1ncc(-c2cccc(Cl)c2)o1 ZINC001590625684 990310112 /nfs/dbraw/zinc/31/01/12/990310112.db2.gz QVJMNAYEULQZBP-UHFFFAOYSA-N -1 0 337.759 3.539 20 0 EHADRM CC(C)(CC(=O)[O-])C(=O)OCc1coc(-c2ccc(Cl)cc2)n1 ZINC001590625838 990311858 /nfs/dbraw/zinc/31/18/58/990311858.db2.gz YYBVVYPKQUHNNK-UHFFFAOYSA-N -1 0 337.759 3.539 20 0 EHADRM CN(C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)[C@H]1CCSC1 ZINC001598056313 990315585 /nfs/dbraw/zinc/31/55/85/990315585.db2.gz IYUBVEFWZFZGNQ-ZDUSSCGKSA-N -1 0 330.409 3.507 20 0 EHADRM CN(C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1)[C@@H]1CCC(C)(C)C1 ZINC001598064317 990347356 /nfs/dbraw/zinc/34/73/56/990347356.db2.gz ZEMKHAHCQCKYMO-SNVBAGLBSA-N -1 0 339.461 3.548 20 0 EHADRM CN(C(=O)[C@H]1CC[C@H]1C(=O)[O-])c1ccccc1Oc1ccccc1 ZINC001598072351 990369633 /nfs/dbraw/zinc/36/96/33/990369633.db2.gz JNYIRVWCGOCJTE-LSDHHAIUSA-N -1 0 325.364 3.553 20 0 EHADRM CN(C(=O)c1cc(Cl)cc(Cl)c1F)C1(C(=O)[O-])CCCCC1 ZINC001598077617 990383528 /nfs/dbraw/zinc/38/35/28/990383528.db2.gz NWLMRYPABVAXGU-UHFFFAOYSA-N -1 0 348.201 3.992 20 0 EHADRM CN(C(=O)c1ccc(C(F)F)c(F)c1)[C@H](C(=O)[O-])c1ccccc1 ZINC001598083149 990407676 /nfs/dbraw/zinc/40/76/76/990407676.db2.gz QPFJHUZALGQHDU-AWEZNQCLSA-N -1 0 337.297 3.661 20 0 EHADRM CN(C(=O)c1ccc(OC2CCCC2)cc1)C1(C(=O)[O-])CCCCC1 ZINC001598088019 990421308 /nfs/dbraw/zinc/42/13/08/990421308.db2.gz UAARYFKTUJAVOC-UHFFFAOYSA-N -1 0 345.439 3.868 20 0 EHADRM CC(C)(CNC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)CC(=O)[O-] ZINC001590708365 990458518 /nfs/dbraw/zinc/45/85/18/990458518.db2.gz XNNKUKUMGBOFRS-CHWSQXEVSA-N -1 0 344.238 3.714 20 0 EHADRM CC(C)(CNC(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1)CC(=O)[O-] ZINC001590723753 990506137 /nfs/dbraw/zinc/50/61/37/990506137.db2.gz CYPTZCZFDQDZDI-IAGOWNOFSA-N -1 0 346.471 3.588 20 0 EHADRM CC(C)(CNC(=O)Nc1cccc(OC2CCCC2)c1)CC(=O)[O-] ZINC001590738532 990534125 /nfs/dbraw/zinc/53/41/25/990534125.db2.gz XACQUKHSTZBEKD-UHFFFAOYSA-N -1 0 334.416 3.630 20 0 EHADRM CC(C)(CNC(=O)c1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001590749097 990547124 /nfs/dbraw/zinc/54/71/24/990547124.db2.gz FKEVVVTUVADGFZ-UHFFFAOYSA-N -1 0 331.799 3.746 20 0 EHADRM CC(C)(Nc1ccccc1)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC001590881166 990800672 /nfs/dbraw/zinc/80/06/72/990800672.db2.gz XSJXKTXPFBQYIU-UHFFFAOYSA-N -1 0 345.424 3.548 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(O[C@H](C)C(=O)[O-])c(F)c2)C1(C)C ZINC001590915109 990902043 /nfs/dbraw/zinc/90/20/43/990902043.db2.gz PKSMPWWLWSBLME-KFNAQCHYSA-N -1 0 349.402 3.855 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])c1 ZINC001590924207 990921055 /nfs/dbraw/zinc/92/10/55/990921055.db2.gz BUWACDZHWRWNTG-INIZCTEOSA-N -1 0 333.428 3.651 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)c1 ZINC001590924489 990922353 /nfs/dbraw/zinc/92/23/53/990922353.db2.gz JSFJADKHQYRVTK-SGNKCFNYSA-N -1 0 345.439 3.795 20 0 EHADRM CC(C)=CCOc1cccc(CC(=O)Nc2ccccc2C(=O)[O-])c1 ZINC001590926892 990928142 /nfs/dbraw/zinc/92/81/42/990928142.db2.gz KQHPATPDBNMURG-UHFFFAOYSA-N -1 0 339.391 3.911 20 0 EHADRM COc1cccc2c(C(=O)N[C@H](CC3CCCCC3)C(=O)[O-])coc21 ZINC001599688334 991025125 /nfs/dbraw/zinc/02/51/25/991025125.db2.gz FDCUZMBGWPQBAN-OAHLLOKOSA-N -1 0 345.395 3.595 20 0 EHADRM COc1cccc2c(C(=O)Nc3cccc(F)c3C(=O)[O-])coc21 ZINC001599689055 991036321 /nfs/dbraw/zinc/03/63/21/991036321.db2.gz ASSPTACAJCBZLP-UHFFFAOYSA-N -1 0 329.283 3.531 20 0 EHADRM CC(C)[C@H](C(=O)Nc1cccc(CC(=O)[O-])n1)c1cccc(Cl)c1 ZINC001590957539 991040664 /nfs/dbraw/zinc/04/06/64/991040664.db2.gz VRFKOZRCSDMTIH-KRWDZBQOSA-N -1 0 346.814 3.740 20 0 EHADRM CC(C)C(C)(C)C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC001590960360 991050015 /nfs/dbraw/zinc/05/00/15/991050015.db2.gz BWUILPOCDRAOLO-GOSISDBHSA-N -1 0 341.451 3.882 20 0 EHADRM CC(C)C(C)(C)CNC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001590963188 991064140 /nfs/dbraw/zinc/06/41/40/991064140.db2.gz BJBWDBXWKHTIBO-UHFFFAOYSA-N -1 0 344.358 3.790 20 0 EHADRM COc1cccc2c1CC[C@H]2OC(=O)CCc1ccccc1C(=O)[O-] ZINC001599690743 991064635 /nfs/dbraw/zinc/06/46/35/991064635.db2.gz RNOHAEUNGZIRDI-GOSISDBHSA-N -1 0 340.375 3.557 20 0 EHADRM CC(C)[C@@H](C)N(CC(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001590974537 991111813 /nfs/dbraw/zinc/11/18/13/991111813.db2.gz QVDDRLTUVSQJDT-OAHLLOKOSA-N -1 0 340.423 3.874 20 0 EHADRM CC(C)[C@H](CC(=O)N(C1CC1)C1(C(=O)[O-])CCC1)c1ccccc1 ZINC001590975672 991118742 /nfs/dbraw/zinc/11/87/42/991118742.db2.gz FFSGKELHKJKQEI-KRWDZBQOSA-N -1 0 329.440 3.815 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)OCc1cc(C(=O)[O-])ccc1F ZINC001599696832 991160732 /nfs/dbraw/zinc/16/07/32/991160732.db2.gz CGNRSFYWVYLADK-GFCCVEGCSA-N -1 0 346.354 3.770 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)OCc1cc(C(=O)[O-])ccc1F ZINC001599696949 991162596 /nfs/dbraw/zinc/16/25/96/991162596.db2.gz NSHUJOVZGQKCCF-UHFFFAOYSA-N -1 0 346.354 3.554 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001599697686 991172364 /nfs/dbraw/zinc/17/23/64/991172364.db2.gz LVLOORMFFDQWMC-XFXZXTDPSA-N -1 0 343.354 3.503 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)OC1CCC(CC(=O)[O-])CC1 ZINC001599699380 991195663 /nfs/dbraw/zinc/19/56/63/991195663.db2.gz ZAIKPCZFWGUOKG-WLYUNCDWSA-N -1 0 334.412 3.766 20 0 EHADRM C[C@@H](NC(=O)N=c1[n-]ncs1)c1ccc(Oc2ccccc2)cc1 ZINC000510135272 1015618134 /nfs/dbraw/zinc/61/81/34/1015618134.db2.gz ZWHIDGSQXLKFCR-GFCCVEGCSA-N -1 0 340.408 3.635 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)CCCSC(C)(C)C ZINC001598293868 991212771 /nfs/dbraw/zinc/21/27/71/991212771.db2.gz SOZWLTOKMZUERE-UHFFFAOYSA-N -1 0 338.473 3.701 20 0 EHADRM COc1ccccc1C1(C(=O)Oc2ccc(C(=O)[O-])cc2Cl)CC1 ZINC001599701744 991229473 /nfs/dbraw/zinc/22/94/73/991229473.db2.gz ARVCKMOPDAVDDA-UHFFFAOYSA-N -1 0 346.766 3.684 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)NC1(C)CCC(C)(C)CC1 ZINC001598298271 991231909 /nfs/dbraw/zinc/23/19/09/991231909.db2.gz IZGLFADHEJALOL-UHFFFAOYSA-N -1 0 347.459 3.931 20 0 EHADRM CC(C)[C@H](F)C(=O)N(C)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001590996606 991232678 /nfs/dbraw/zinc/23/26/78/991232678.db2.gz PFCSGOMDUYGZLV-NWDGAFQWSA-N -1 0 336.190 3.572 20 0 EHADRM CC(C)[C@@H](NC(=O)CCc1ccccc1C(=O)[O-])c1ccc(F)cc1 ZINC001591002203 991263541 /nfs/dbraw/zinc/26/35/41/991263541.db2.gz QDLPBNJIWLROOH-LJQANCHMSA-N -1 0 343.398 3.970 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)O[C@H](C)c1cc(C(=O)[O-])co1 ZINC001599709407 991345410 /nfs/dbraw/zinc/34/54/10/991345410.db2.gz RNGYVZGVIGHTLD-CHWSQXEVSA-N -1 0 346.379 3.860 20 0 EHADRM CN(C)c1ccc(OC(=O)c2ccc3c(c2)CCC=C3)cc1C(=O)[O-] ZINC001598328546 991351488 /nfs/dbraw/zinc/35/14/88/991351488.db2.gz RSAYJBPIJDJBPX-UHFFFAOYSA-N -1 0 337.375 3.629 20 0 EHADRM CN(C)c1cccc(C(=O)N(c2ccccc2C(=O)[O-])C2CCC2)c1 ZINC001598335695 991390943 /nfs/dbraw/zinc/39/09/43/991390943.db2.gz WEVARPXUDXWHEB-UHFFFAOYSA-N -1 0 338.407 3.650 20 0 EHADRM CC(C)[C@]1(C)C[C@H]1C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001591059078 991481226 /nfs/dbraw/zinc/48/12/26/991481226.db2.gz ZIEXHWAEOQNBBU-XEZPLFJOSA-N -1 0 343.345 3.787 20 0 EHADRM COc1ccccc1[C@@H]1C[C@H]1C(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC001599719111 991506268 /nfs/dbraw/zinc/50/62/68/991506268.db2.gz QNPVYZPUPWBIDM-QWHCGFSZSA-N -1 0 346.766 3.756 20 0 EHADRM CC(C)C1(c2ccccc2)CN(C(=O)CC2(CC(=O)[O-])CCCC2)C1 ZINC001591067822 991517584 /nfs/dbraw/zinc/51/75/84/991517584.db2.gz MIOHPZVXKBWPCM-UHFFFAOYSA-N -1 0 343.467 3.848 20 0 EHADRM COc1cnc(F)c(CNc2cc3ccccc3c(C(=O)[O-])c2)c1 ZINC001599724304 991591408 /nfs/dbraw/zinc/59/14/08/991591408.db2.gz GAOKMMJPHXXFOR-UHFFFAOYSA-N -1 0 326.327 3.693 20 0 EHADRM CC(C)[C@H]1CCC[C@H](NC(=O)NCCc2ccc(C(=O)[O-])cc2)CC1 ZINC001591081979 991596187 /nfs/dbraw/zinc/59/61/87/991596187.db2.gz OKTACTFUQQAKBC-WMZOPIPTSA-N -1 0 346.471 3.831 20 0 EHADRM COc1cncc(/C=C/CCOc2ccc(C(=O)[O-])cc2Cl)c1 ZINC001599725977 991625282 /nfs/dbraw/zinc/62/52/82/991625282.db2.gz DCXKLFOSSUEUJZ-DUXPYHPUSA-N -1 0 333.771 3.924 20 0 EHADRM CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001591093668 991662213 /nfs/dbraw/zinc/66/22/13/991662213.db2.gz YEUGHSJGSOWUSC-RHSMWYFYSA-N -1 0 347.459 3.595 20 0 EHADRM CC(C)[C@@H]1[C@@H](C(C)C)CN1c1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001591096182 991685686 /nfs/dbraw/zinc/68/56/86/991685686.db2.gz BMCDIYGBFUAITE-BXUZGUMPSA-N -1 0 330.350 3.915 20 0 EHADRM CC(C)[C@@H]1N(C(=O)c2cc(C(=O)[O-])ccn2)CC12CCCCCC2 ZINC001591098672 991704651 /nfs/dbraw/zinc/70/46/51/991704651.db2.gz HSKYURAENSNRJF-INIZCTEOSA-N -1 0 330.428 3.601 20 0 EHADRM COc1nc2ccccc2cc1CN(C)Cc1ccc(C(=O)[O-])cc1 ZINC001599731887 991720946 /nfs/dbraw/zinc/72/09/46/991720946.db2.gz KVNFXZCDTCDEHK-UHFFFAOYSA-N -1 0 336.391 3.574 20 0 EHADRM CC(C)C[C@H](C)n1nccc1NC(=O)c1ccccc1CCC(=O)[O-] ZINC001591143919 991874268 /nfs/dbraw/zinc/87/42/68/991874268.db2.gz XCHYBVQOKASAKG-AWEZNQCLSA-N -1 0 343.427 3.760 20 0 EHADRM CC(C)C[C@H](OC(=O)c1ccc(C(=O)[O-])cc1F)c1ccccn1 ZINC001591190890 991997058 /nfs/dbraw/zinc/99/70/58/991997058.db2.gz CNIBAOMEHJLBFD-INIZCTEOSA-N -1 0 331.343 3.863 20 0 EHADRM CN(CCC1CCCCC1)C(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001598471869 992037306 /nfs/dbraw/zinc/03/73/06/992037306.db2.gz FNVZZAQLAHTEEZ-XLIONFOSSA-N -1 0 329.440 3.674 20 0 EHADRM CC(C)CCC[C@@H](C)NC(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001591229838 992114165 /nfs/dbraw/zinc/11/41/65/992114165.db2.gz WPENSCYZNSCNQT-UZLBHIALSA-N -1 0 346.471 3.639 20 0 EHADRM CC(C)CCOc1ccc(CNc2cccc(CC(=O)[O-])n2)cc1 ZINC001591260249 992167648 /nfs/dbraw/zinc/16/76/48/992167648.db2.gz IYWTWMOAUOUTTR-UHFFFAOYSA-N -1 0 328.412 3.746 20 0 EHADRM CC(C)CCc1noc(CNc2cc(C(=O)[O-])ccc2OC(C)C)n1 ZINC001591270604 992190907 /nfs/dbraw/zinc/19/09/07/992190907.db2.gz WPTTTXBCPIHRQQ-UHFFFAOYSA-N -1 0 347.415 3.756 20 0 EHADRM CN(CCCc1ccccc1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001598485659 992203271 /nfs/dbraw/zinc/20/32/71/992203271.db2.gz UTVAXMHLLOOXAM-UHFFFAOYSA-N -1 0 330.359 3.620 20 0 EHADRM CC(C)CN(C(=O)CCSCC(=O)[O-])c1ccccc1Cl ZINC001591281712 992218942 /nfs/dbraw/zinc/21/89/42/992218942.db2.gz YRLIMZPBEHXJQQ-UHFFFAOYSA-N -1 0 329.849 3.537 20 0 EHADRM CC(C)CN(C(=O)c1ccc(Cl)c(Cl)c1)C(C)(C)C(=O)[O-] ZINC001591284680 992220406 /nfs/dbraw/zinc/22/04/06/992220406.db2.gz DGBNVBKGOVMRBH-UHFFFAOYSA-N -1 0 332.227 3.955 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C/C=C/Cc1ccccc1 ZINC001591308876 992263199 /nfs/dbraw/zinc/26/31/99/992263199.db2.gz DDGWDBVLNYQGAS-CMDGGOBGSA-N -1 0 331.456 3.771 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1ccc(F)c(C(F)F)c1 ZINC001591313356 992276733 /nfs/dbraw/zinc/27/67/33/992276733.db2.gz YDRBSRHERHZCRD-UHFFFAOYSA-N -1 0 345.361 3.972 20 0 EHADRM CC(C)CN(CC(C)C)C(=O)CSCc1ccccc1C(=O)[O-] ZINC001591320566 992286112 /nfs/dbraw/zinc/28/61/12/992286112.db2.gz NLPCYJBDAOLNSB-UHFFFAOYSA-N -1 0 337.485 3.759 20 0 EHADRM CS[C@@H](C)CC(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001599782680 992386078 /nfs/dbraw/zinc/38/60/78/992386078.db2.gz IFILVCNZEQUHFC-MADCSZMMSA-N -1 0 337.224 3.804 20 0 EHADRM CS[C@@H](C)CCC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001599782764 992386896 /nfs/dbraw/zinc/38/68/96/992386896.db2.gz KABJDFBXFQTTSF-NSHDSACASA-N -1 0 327.471 3.724 20 0 EHADRM CC(C)COC[C@H](N[C@H](C(=O)[O-])c1ccccc1F)c1ccco1 ZINC001591390688 992445626 /nfs/dbraw/zinc/44/56/26/992445626.db2.gz JRUWZDMQTFRBAU-RDJZCZTQSA-N -1 0 335.375 3.548 20 0 EHADRM CC(C)COc1ccc(C(C)(C)CNc2nccc(C(=O)[O-])n2)cc1 ZINC001591396369 992458732 /nfs/dbraw/zinc/45/87/32/992458732.db2.gz DDFYLZJEFVQLDG-UHFFFAOYSA-N -1 0 343.427 3.599 20 0 EHADRM CC(C)COc1cccc(NC(=O)NCC2(C(=O)[O-])CCCCC2)c1 ZINC001591401886 992479340 /nfs/dbraw/zinc/47/93/40/992479340.db2.gz GDHRPOGVWVNAHG-UHFFFAOYSA-N -1 0 348.443 3.878 20 0 EHADRM CC(C)C[C@@H]1C[C@H]1NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001591444836 992544008 /nfs/dbraw/zinc/54/40/08/992544008.db2.gz YHQWWUKKXXXHJG-BZUAXINKSA-N -1 0 332.444 3.572 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC001598512273 992576471 /nfs/dbraw/zinc/57/64/71/992576471.db2.gz DKWNIZQQMWFMPJ-MSOLQXFVSA-N -1 0 337.419 3.783 20 0 EHADRM CC(C)C[C@H](NC(=O)c1cc2cccc(Cl)c2s1)C(=O)[O-] ZINC001591468720 992583080 /nfs/dbraw/zinc/58/30/80/992583080.db2.gz VPHXNHJLEBYPDV-NSHDSACASA-N -1 0 325.817 3.784 20 0 EHADRM CC(C)Cc1ccc(CC(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])cc1 ZINC001591484274 992609189 /nfs/dbraw/zinc/60/91/89/992609189.db2.gz MAQSUVDGMWOICS-PXNSSMCTSA-N -1 0 331.456 3.577 20 0 EHADRM CN(Cc1ccc(C(=O)OC(C)(C)C)cc1)c1ccccc1C(=O)[O-] ZINC001598516178 992620080 /nfs/dbraw/zinc/62/00/80/992620080.db2.gz FOVGSNAPUXZWQF-UHFFFAOYSA-N -1 0 341.407 3.977 20 0 EHADRM CC(C)Cc1noc(CNc2cccc3cc(C(=O)[O-])sc32)n1 ZINC001591497858 992635251 /nfs/dbraw/zinc/63/52/51/992635251.db2.gz MJOBWMSFIFAVIA-UHFFFAOYSA-N -1 0 331.397 3.793 20 0 EHADRM CN(Cc1ccc(Cl)nc1)[C@H](C(=O)[O-])c1ccccc1Cl ZINC001598518125 992643821 /nfs/dbraw/zinc/64/38/21/992643821.db2.gz RCUCGQFPWWFXMY-AWEZNQCLSA-N -1 0 325.195 3.646 20 0 EHADRM CC(C)N(C(=O)CCc1ccc(C(=O)[O-])cc1)c1cccc(F)c1 ZINC001591538130 992715215 /nfs/dbraw/zinc/71/52/15/992715215.db2.gz AGDRTZCLVKSRSO-UHFFFAOYSA-N -1 0 329.371 3.898 20 0 EHADRM CC(C)N(CC(=O)Nc1ccc(C(=O)[O-])cc1)[C@H](C)c1ccsc1 ZINC001591561654 992766194 /nfs/dbraw/zinc/76/61/94/992766194.db2.gz ZKSPOLOHXCQOFP-CYBMUJFWSA-N -1 0 346.452 3.856 20 0 EHADRM O=C([O-])c1cccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)c1 ZINC000535622002 1015739110 /nfs/dbraw/zinc/73/91/10/1015739110.db2.gz ZQNBKVMRFDTTJW-DZGCQCFKSA-N -1 0 349.308 3.690 20 0 EHADRM COc1ccc(N(C)C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)cc1 ZINC001599582886 993574547 /nfs/dbraw/zinc/57/45/47/993574547.db2.gz HXFBUOFKRKXBNM-UHFFFAOYSA-N -1 0 339.351 3.543 20 0 EHADRM COc1ccc(NC(=S)Nc2ccc(F)c(C(=O)[O-])c2C)cc1 ZINC001599596703 993757791 /nfs/dbraw/zinc/75/77/91/993757791.db2.gz QVDXZRXMCPGZGZ-UHFFFAOYSA-N -1 0 334.372 3.650 20 0 EHADRM COc1ccc(N[C@@H](Cc2ccc(C)cc2)C(=O)[O-])cc1OC(C)C ZINC001599599297 993792330 /nfs/dbraw/zinc/79/23/30/993792330.db2.gz PFZLPYMKLWBXMC-KRWDZBQOSA-N -1 0 343.423 3.899 20 0 EHADRM COc1ccc(N[C@@H](C(=O)[O-])c2ccccc2F)cc1OC(C)C ZINC001599599446 993794573 /nfs/dbraw/zinc/79/45/73/993794573.db2.gz RMMAMQKEWFPRAL-QGZVFWFLSA-N -1 0 333.359 3.859 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C2CCCC2)cc1)c1ncc(C(=O)[O-])s1 ZINC001593159250 993984368 /nfs/dbraw/zinc/98/43/68/993984368.db2.gz AIXUJNYNMVRORD-LLVKDONJSA-N -1 0 344.436 3.990 20 0 EHADRM COc1ccc(SCCC(=O)Nc2ccsc2C(=O)[O-])cc1 ZINC001599619029 994054962 /nfs/dbraw/zinc/05/49/62/994054962.db2.gz DKQNWMGHHXKKMR-UHFFFAOYSA-N -1 0 337.422 3.576 20 0 EHADRM C[C@H](NC(=O)c1ccsc1CC(=O)[O-])c1cccc(C2CC2)c1 ZINC001593183752 994081074 /nfs/dbraw/zinc/08/10/74/994081074.db2.gz NTKYQOCSLUHGAW-NSHDSACASA-N -1 0 329.421 3.744 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2CC(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC001599620885 994082061 /nfs/dbraw/zinc/08/20/61/994082061.db2.gz PJULYPNZCRVCSE-YOEHRIQHSA-N -1 0 339.391 3.550 20 0 EHADRM C[C@H](N[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1)c1cscn1 ZINC001593190890 994128632 /nfs/dbraw/zinc/12/86/32/994128632.db2.gz YATPWVPGSFJYMK-MADCSZMMSA-N -1 0 331.224 3.926 20 0 EHADRM COc1ccc2c(c1)[C@H](C(=O)O[C@H](C(=O)[O-])c1ccsc1)CCC2 ZINC001599625622 994144324 /nfs/dbraw/zinc/14/43/24/994144324.db2.gz OCBHTHQRERBUGA-ZBFHGGJFSA-N -1 0 346.404 3.546 20 0 EHADRM C[C@@H](N[C@H](C)c1cc(F)c(F)c(F)c1)c1ncc(C(=O)[O-])s1 ZINC001593203287 994185599 /nfs/dbraw/zinc/18/55/99/994185599.db2.gz DAIUEFPPWXNKNR-RNFRBKRXSA-N -1 0 330.331 3.670 20 0 EHADRM C[C@@H](N[C@H](C)c1ncc(C(=O)[O-])s1)c1cc(-c2ccccc2)no1 ZINC001593204305 994199473 /nfs/dbraw/zinc/19/94/73/994199473.db2.gz PMBNNGFZUDQLHL-GHMZBOCLSA-N -1 0 343.408 3.908 20 0 EHADRM COc1ccc2c(c1)N(C(=O)c1cc(F)cc(C(=O)[O-])c1)CCCC2 ZINC001599630441 994209320 /nfs/dbraw/zinc/20/93/20/994209320.db2.gz XLBKVBQPJBAKIC-UHFFFAOYSA-N -1 0 343.354 3.516 20 0 EHADRM C[C@@H](N[C@H](C)c1ccc(OC(F)F)cc1)c1ncc(C(=O)[O-])s1 ZINC001593205158 994209991 /nfs/dbraw/zinc/20/99/91/994209991.db2.gz YFCMLQHVOMMOKN-RKDXNWHRSA-N -1 0 342.367 3.855 20 0 EHADRM C[C@@H](N[C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1cc(C(=O)[O-])co1 ZINC001593208850 994232348 /nfs/dbraw/zinc/23/23/48/994232348.db2.gz GRIPBUDVSLAZLK-QMTHXVAHSA-N -1 0 330.384 3.513 20 0 EHADRM COc1ccc2cc(NC(=O)N[C@](C)(CC(=O)[O-])C3CC3)ccc2c1 ZINC001599634548 994267695 /nfs/dbraw/zinc/26/76/95/994267695.db2.gz QOGLLBVEQPVVFR-LJQANCHMSA-N -1 0 342.395 3.613 20 0 EHADRM O=C(Nc1ccccc1OCC1CC1)c1cc(F)c(F)c([O-])c1F ZINC000180057618 1015847682 /nfs/dbraw/zinc/84/76/82/1015847682.db2.gz VEQXGFWBHFUBAJ-UHFFFAOYSA-N -1 0 337.297 3.851 20 0 EHADRM COc1ccc2cc([C@H](C)Nc3cnn(CC(=O)[O-])c3C)ccc2c1 ZINC001599635545 994282266 /nfs/dbraw/zinc/28/22/66/994282266.db2.gz RUTVSEYMZQUVJV-LBPRGKRZSA-N -1 0 339.395 3.611 20 0 EHADRM COc1ccc2cc(C(=O)Nc3ccc(F)c(C(=O)[O-])c3C)[nH]c2c1 ZINC001599636599 994297454 /nfs/dbraw/zinc/29/74/54/994297454.db2.gz SDTVGNKZMIIKGK-UHFFFAOYSA-N -1 0 342.326 3.575 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)C=C(C)C(C)(C)C)cc1 ZINC000076756906 1015854863 /nfs/dbraw/zinc/85/48/63/1015854863.db2.gz WAZPNACSXOPSLB-QXMHVHEDSA-N -1 0 325.430 3.723 20 0 EHADRM C[C@@H](N[C@@H]1CCc2cc(F)c(F)c(F)c21)c1cncc(C(=O)[O-])c1 ZINC001593233664 994393583 /nfs/dbraw/zinc/39/35/83/994393583.db2.gz RVHZMWBHTJVFLK-AMIZOPFISA-N -1 0 336.313 3.535 20 0 EHADRM COc1cccc(C(C)(C)C(=O)NCC2(CC(=O)[O-])CCCCC2)c1 ZINC001599648951 994466204 /nfs/dbraw/zinc/46/62/04/994466204.db2.gz FOSRJDIMLXYBBQ-UHFFFAOYSA-N -1 0 347.455 3.514 20 0 EHADRM COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)c2ccccc2C(F)F)c1 ZINC001599649137 994469635 /nfs/dbraw/zinc/46/96/35/994469635.db2.gz OFHFVKNVDWNMEV-HNNXBMFYSA-N -1 0 349.333 3.531 20 0 EHADRM COc1cccc([C@H](Sc2ncnc3ccccc32)C(=O)[O-])c1 ZINC001599660048 994642562 /nfs/dbraw/zinc/64/25/62/994642562.db2.gz BCBWTNFWQAIKFL-HNNXBMFYSA-N -1 0 326.377 3.556 20 0 EHADRM COc1cccc([C@@H](OC(=O)c2ccc(C(=O)[O-])nc2)C(C)(C)C)c1 ZINC001599662566 994678296 /nfs/dbraw/zinc/67/82/96/994678296.db2.gz NKYMOIRZCNYBFR-MRXNPFEDSA-N -1 0 343.379 3.733 20 0 EHADRM C[C@@H](NCc1ccc(C(=O)[O-])[nH]1)c1ccc(C(F)(F)F)nc1Cl ZINC001593293762 994686486 /nfs/dbraw/zinc/68/64/86/994686486.db2.gz XVOHFLDJUKTAFX-SSDOTTSWSA-N -1 0 347.724 3.631 20 0 EHADRM C[C@@H](NCc1cc(Cl)cc(Cl)c1N)c1ncc(C(=O)[O-])s1 ZINC001593293950 994688417 /nfs/dbraw/zinc/68/84/17/994688417.db2.gz ZQXDNAHSDXJIAG-ZCFIWIBFSA-N -1 0 346.239 3.581 20 0 EHADRM C[C@H](NCc1ccc(C(=O)[O-])n1C)c1nc(-c2ccccc2)cs1 ZINC001593295235 994689730 /nfs/dbraw/zinc/68/97/30/994689730.db2.gz DBPSWUORSIMADJ-LBPRGKRZSA-N -1 0 341.436 3.698 20 0 EHADRM C[C@H](NCc1ccc(/C=C/C(=O)[O-])o1)c1nc(C(F)(F)F)cs1 ZINC001593296852 994699500 /nfs/dbraw/zinc/69/95/00/994699500.db2.gz QUZHMXFRABZQCK-ZJELKQJVSA-N -1 0 346.330 3.704 20 0 EHADRM COc1cccc(C[C@H](C)CC(=O)Nc2ccc(C(=O)[O-])s2)c1 ZINC001599665866 994728450 /nfs/dbraw/zinc/72/84/50/994728450.db2.gz LKAZPQPRHRKHHH-NSHDSACASA-N -1 0 333.409 3.662 20 0 EHADRM COc1cccc(CC(=O)[O-])c1OCc1ncc(Cl)cc1Cl ZINC001599666105 994732594 /nfs/dbraw/zinc/73/25/94/994732594.db2.gz VAWJBFJBKLPATA-UHFFFAOYSA-N -1 0 342.178 3.603 20 0 EHADRM COc1cccc([C@@H]2CCCN2C(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC001599666295 994734636 /nfs/dbraw/zinc/73/46/36/994734636.db2.gz OXAWQHCRSBTTTD-KRWDZBQOSA-N -1 0 343.354 3.510 20 0 EHADRM CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)c(Cl)c1 ZINC001598678921 994893652 /nfs/dbraw/zinc/89/36/52/994893652.db2.gz VOIXOBKSJSQMDD-INIZCTEOSA-N -1 0 346.814 3.718 20 0 EHADRM CNc1ccc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c(Cl)c1 ZINC001598679008 994896550 /nfs/dbraw/zinc/89/65/50/994896550.db2.gz ZMVOKZARKKMWJW-BZNIZROVSA-N -1 0 346.814 3.574 20 0 EHADRM COc1cccc(NC(=S)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC001599679766 994960599 /nfs/dbraw/zinc/96/05/99/994960599.db2.gz GDFIMOSARGCDCN-UHFFFAOYSA-N -1 0 330.409 3.521 20 0 EHADRM COc1cccc(Nc2ccc(Nc3ncc(C(=O)[O-])cn3)cc2)c1 ZINC001599680432 994971595 /nfs/dbraw/zinc/97/15/95/994971595.db2.gz QAQAUVPLXHKDKM-UHFFFAOYSA-N -1 0 336.351 3.671 20 0 EHADRM C[C@@H](N[C@H](C)c1ccccc1OCC(=O)[O-])c1ccc(F)cc1F ZINC001593354890 994997922 /nfs/dbraw/zinc/99/79/22/994997922.db2.gz ZZPZWISZAWTUPH-VXGBXAGGSA-N -1 0 335.350 3.840 20 0 EHADRM C[C@@H](Nc1ccc(O[C@@H]2CC2(F)F)cc1)c1cncc(C(=O)[O-])c1 ZINC001593362996 995034098 /nfs/dbraw/zinc/03/40/98/995034098.db2.gz MRPPEFLMCICUKN-MEBBXXQBSA-N -1 0 334.322 3.739 20 0 EHADRM C[C@H](Nc1ccccc1OC(F)F)c1ccccc1OCC(=O)[O-] ZINC001593367481 995058708 /nfs/dbraw/zinc/05/87/08/995058708.db2.gz OFKSWJNAFBYTFR-NSHDSACASA-N -1 0 337.322 3.925 20 0 EHADRM C[C@H](Nc1ncc(C(=O)[O-])cc1Cl)c1cc(F)ccc1N(C)C ZINC001593373692 995068146 /nfs/dbraw/zinc/06/81/46/995068146.db2.gz HHUCTPQGGJUEBR-VIFPVBQESA-N -1 0 337.782 3.811 20 0 EHADRM COC(=O)[C@H](Cc1ccc(C)cc1)S[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC001598705592 995282505 /nfs/dbraw/zinc/28/25/05/995282505.db2.gz WDFDURRKCLSPOY-LRDDRELGSA-N -1 0 348.420 3.865 20 0 EHADRM COC(=O)[C@H](N[C@H](C)c1cc(C)ccc1C)c1cccc(C(=O)[O-])c1 ZINC001598706121 995289520 /nfs/dbraw/zinc/28/95/20/995289520.db2.gz NVAMZMIUNWBFKV-RDTXWAMCSA-N -1 0 341.407 3.567 20 0 EHADRM C[C@@H](OC(=O)COc1ccc2ccccc2c1)c1ccc(C(=O)[O-])o1 ZINC001593534579 995590352 /nfs/dbraw/zinc/59/03/52/995590352.db2.gz DPGLTYUKMVJNAT-GFCCVEGCSA-N -1 0 340.331 3.814 20 0 EHADRM C[C@@H](OC(=O)Cn1cc(C(=O)[O-])c2ccccc21)c1cccc(F)c1 ZINC001593542418 995613985 /nfs/dbraw/zinc/61/39/85/995613985.db2.gz QVTYZWFQFYFAOB-GFCCVEGCSA-N -1 0 341.338 3.783 20 0 EHADRM C[C@H](OC(=O)c1cc(-c2cccc(F)c2)no1)c1cc(C(=O)[O-])co1 ZINC001593552621 995629792 /nfs/dbraw/zinc/62/97/92/995629792.db2.gz DDLSLKUSPUMWEP-VIFPVBQESA-N -1 0 345.282 3.690 20 0 EHADRM C[C@@H](c1nc2ccccc2s1)[C@H](C)OC(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001593572770 995668844 /nfs/dbraw/zinc/66/88/44/995668844.db2.gz HPVAVDBYFRIKLU-ZJUUUORDSA-N -1 0 344.392 3.672 20 0 EHADRM C[C@H](OC(=O)c1ccccc1Br)c1ccc(C(=O)[O-])o1 ZINC001593592039 995717526 /nfs/dbraw/zinc/71/75/26/995717526.db2.gz NJOIUVOOKSMMRR-QMMMGPOBSA-N -1 0 339.141 3.658 20 0 EHADRM C[C@H](OC(=O)c1occc1C(=O)[O-])c1cccc(Br)c1 ZINC001593601160 995755711 /nfs/dbraw/zinc/75/57/11/995755711.db2.gz IHPOAJKLFXYBMT-QMMMGPOBSA-N -1 0 339.141 3.658 20 0 EHADRM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)OCc1ccc(C(=O)[O-])o1 ZINC001593611713 995809968 /nfs/dbraw/zinc/80/99/68/995809968.db2.gz DUKGZFLFRPRPTN-GFCCVEGCSA-N -1 0 346.379 3.786 20 0 EHADRM C[C@@H](Oc1ccc(NC(=O)c2cc(Cl)cs2)cc1F)C(=O)[O-] ZINC001593632317 995919704 /nfs/dbraw/zinc/91/97/04/995919704.db2.gz UEOPMXMYMMIBEW-SSDOTTSWSA-N -1 0 343.763 3.645 20 0 EHADRM C[C@@H](SCCCCOc1ccc(Br)cc1)C(=O)[O-] ZINC001593656751 996028396 /nfs/dbraw/zinc/02/83/96/996028396.db2.gz PRAHHSJAPICHKJ-SNVBAGLBSA-N -1 0 333.247 3.814 20 0 EHADRM C[C@@H](Oc1ccccc1CNc1nc2cc(Cl)ccc2[nH]1)C(=O)[O-] ZINC001593652580 996018226 /nfs/dbraw/zinc/01/82/26/996018226.db2.gz YMOXGQQEEKYESA-SNVBAGLBSA-N -1 0 345.786 3.680 20 0 EHADRM C[C@H](SCc1cccc(C(=O)[O-])c1Cl)C(=O)N1CCCCC1 ZINC001593661826 996039568 /nfs/dbraw/zinc/03/95/68/996039568.db2.gz NNZDDQLYIUWXJO-NSHDSACASA-N -1 0 341.860 3.672 20 0 EHADRM C[C@H](SCc1cncc(C(F)(F)F)c1)c1nc(C(=O)[O-])co1 ZINC001593663964 996047636 /nfs/dbraw/zinc/04/76/36/996047636.db2.gz VGWWVICRIMSZQR-ZETCQYMHSA-N -1 0 332.303 3.781 20 0 EHADRM C[C@@H](SCc1noc(-c2cccc(Cl)c2Cl)n1)C(=O)[O-] ZINC001593664470 996051942 /nfs/dbraw/zinc/05/19/42/996051942.db2.gz VENXXAKQHLXGHN-ZCFIWIBFSA-N -1 0 333.196 3.750 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N[C@@H](C1CC1)C1CCC1)C(=O)[O-] ZINC001593668475 996064118 /nfs/dbraw/zinc/06/41/18/996064118.db2.gz DOUDQSJFAKOCAN-BDJLRTHQSA-N -1 0 333.453 3.560 20 0 EHADRM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cc(C(=O)[O-])on1 ZINC001593692506 996139982 /nfs/dbraw/zinc/13/99/82/996139982.db2.gz CCSPSXOVCWBCDK-SSDOTTSWSA-N -1 0 343.166 3.513 20 0 EHADRM C[C@@H](c1nc(C(=O)[O-])co1)N1CCn2c(cc3c2cccc3Cl)C1 ZINC001593729529 996292208 /nfs/dbraw/zinc/29/22/08/996292208.db2.gz KLECSERAHMFFPW-JTQLQIEISA-N -1 0 345.786 3.558 20 0 EHADRM C[C@H](c1nc2ccccc2s1)N(C)Cc1ncc(C(=O)[O-])s1 ZINC001593733836 996321095 /nfs/dbraw/zinc/32/10/95/996321095.db2.gz MPMSKSNAQCCPMF-SECBINFHSA-N -1 0 333.438 3.644 20 0 EHADRM C[C@@H](c1nc2cc(Cl)ccc2[nH]1)N(C)Cc1cccc(C(=O)[O-])n1 ZINC001593734414 996324040 /nfs/dbraw/zinc/32/40/40/996324040.db2.gz UYFSIUVFOFHNJH-JTQLQIEISA-N -1 0 344.802 3.503 20 0 EHADRM C[C@@]1(C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])CCc2ccccc2C1 ZINC001593749993 996392647 /nfs/dbraw/zinc/39/26/47/996392647.db2.gz XHXPQYCLZJAETO-GHTZIAJQSA-N -1 0 343.467 3.579 20 0 EHADRM CC1(C(=O)Nc2cccc(SCCC(=O)[O-])c2)CC(F)(F)C1 ZINC001593761370 996421252 /nfs/dbraw/zinc/42/12/52/996421252.db2.gz IDZTUURMAQUCIZ-UHFFFAOYSA-N -1 0 329.368 3.627 20 0 EHADRM Cc1cccc(F)c1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000180742199 1016033342 /nfs/dbraw/zinc/03/33/42/1016033342.db2.gz KKFDKJICVRIIGI-UHFFFAOYSA-N -1 0 333.306 3.954 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)N[C@H](c2ccccc2)C2CCCC2)C1 ZINC001593769276 996456017 /nfs/dbraw/zinc/45/60/17/996456017.db2.gz RGGQGAXHARUDQC-XLIONFOSSA-N -1 0 344.455 3.814 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)N2CCC[C@@](C)(C(=O)[O-])C2)cc1F ZINC001593771680 996466102 /nfs/dbraw/zinc/46/61/02/996466102.db2.gz WCYQDSYYYYSNGN-GOSISDBHSA-N -1 0 336.407 3.842 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(c2nc3ccccc3c(-c3ccccc3)n2)C1 ZINC001593778402 996487176 /nfs/dbraw/zinc/48/71/76/996487176.db2.gz JDUVPRDGPJDNIL-NRFANRHFSA-N -1 0 347.418 3.988 20 0 EHADRM CC1(C)CC(C)(C)c2cc(NC(=O)N[C@H]3CC=C(C(=O)[O-])C3)ccc21 ZINC001593848142 996617947 /nfs/dbraw/zinc/61/79/47/996617947.db2.gz KIQZPHAGOPGPCL-ZDUSSCGKSA-N -1 0 342.439 3.940 20 0 EHADRM CC1(C)C[C@H](OC(=O)/C=C\c2ccc(C(=O)[O-])o2)c2ccccc2O1 ZINC001593862195 996659704 /nfs/dbraw/zinc/65/97/04/996659704.db2.gz WSCKJDLGYSFEHM-YHWKNFMLSA-N -1 0 342.347 3.837 20 0 EHADRM COC(=O)CCc1ccc(NCc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001598859414 996662161 /nfs/dbraw/zinc/66/21/61/996662161.db2.gz XXBGHBIDBIHHPC-UHFFFAOYSA-N -1 0 347.798 3.756 20 0 EHADRM CC1(C)C[C@@H](c2ccccc2)N(C(=O)/C=C\c2cc(C(=O)[O-])co2)C1 ZINC001593863599 996663805 /nfs/dbraw/zinc/66/38/05/996663805.db2.gz KWJSWXDDNSGKGX-JJEJIETFSA-N -1 0 339.391 3.991 20 0 EHADRM CC1(C)C[C@]1(C(=O)N1CCc2c(cccc2C(=O)[O-])C1)c1ccccc1 ZINC001593864507 996666832 /nfs/dbraw/zinc/66/68/32/996666832.db2.gz VZCHXDSSDCEQRK-JOCHJYFZSA-N -1 0 349.430 3.637 20 0 EHADRM CC1(C)C[C@@]1(CNC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001593864621 996667961 /nfs/dbraw/zinc/66/79/61/996667961.db2.gz AGGNLTHEIZSWEI-HXUWFJFHSA-N -1 0 338.407 3.874 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)NCCCCC(=O)[O-])[C@H](c2ccccc2)C1 ZINC001593882539 996714270 /nfs/dbraw/zinc/71/42/70/996714270.db2.gz XJORTISBWPJPNG-DLBZAZTESA-N -1 0 346.471 3.903 20 0 EHADRM CC1(C)CCC[C@H](CNC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)C1 ZINC001593888347 996732039 /nfs/dbraw/zinc/73/20/39/996732039.db2.gz XDYFKKMXDUIAJL-YOEHRIQHSA-N -1 0 344.455 3.596 20 0 EHADRM CC1(C)Cc2cc(C(=O)N[C@@]3(C(=O)[O-])CCCC(C)(C)C3)ccc2O1 ZINC001593892455 996740793 /nfs/dbraw/zinc/74/07/93/996740793.db2.gz NPJPTBILENOCGS-FQEVSTJZSA-N -1 0 345.439 3.554 20 0 EHADRM CC1(C)CCC[C@@H]1[C@@H]1CCN(C(=O)Nc2ccc(CC(=O)[O-])cc2)C1 ZINC001593898720 996761700 /nfs/dbraw/zinc/76/17/00/996761700.db2.gz WMDLNYUVSKAJFL-NVXWUHKLSA-N -1 0 344.455 3.994 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)NCC[C@@H]2CCCC2(C)C)C1 ZINC001593903409 996773382 /nfs/dbraw/zinc/77/33/82/996773382.db2.gz SNLHVJGEKURJEM-LSDHHAIUSA-N -1 0 338.492 3.735 20 0 EHADRM CC1(C)CCCC[C@H]1CC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC001593904320 996781087 /nfs/dbraw/zinc/78/10/87/996781087.db2.gz BDWZFRYOHZWQEK-MAUKXSAKSA-N -1 0 329.440 3.804 20 0 EHADRM CC1(C)CCCC[C@H]1CC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001593904400 996781812 /nfs/dbraw/zinc/78/18/12/996781812.db2.gz FBGRLRFIOABHAD-RCCFBDPRSA-N -1 0 343.467 3.920 20 0 EHADRM CC1(C)CCN(C(=O)Nc2cccc(OCC(=O)[O-])c2)CC(C)(C)C1 ZINC001593911619 996804395 /nfs/dbraw/zinc/80/43/95/996804395.db2.gz KKRLUIZAFZIXPM-UHFFFAOYSA-N -1 0 348.443 3.830 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCc1ccc(-c2ncco2)cc1F ZINC001599380159 996824486 /nfs/dbraw/zinc/82/44/86/996824486.db2.gz YYTROHNIFOEEIL-UHFFFAOYSA-N -1 0 343.310 3.767 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)CCCCCCSC)c1 ZINC001599488224 996891787 /nfs/dbraw/zinc/89/17/87/996891787.db2.gz VLGFWMXBHAJYPB-UHFFFAOYSA-N -1 0 325.430 3.645 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)CCSCc2ccccc2)c1 ZINC001599491249 996943526 /nfs/dbraw/zinc/94/35/26/996943526.db2.gz LRPCEHLIOLQBLJ-UHFFFAOYSA-N -1 0 346.404 3.622 20 0 EHADRM COCc1cc(NC(=O)/C(C)=C/c2ccc(C)cc2)cc(C(=O)[O-])c1 ZINC001599284221 996946972 /nfs/dbraw/zinc/94/69/72/996946972.db2.gz HOGKDOQLCDNUEQ-RIYZIHGNSA-N -1 0 339.391 3.882 20 0 EHADRM COCc1cc(NC(=O)C2(C(F)(F)F)CCCC2)cc(C(=O)[O-])c1 ZINC001599284349 996948999 /nfs/dbraw/zinc/94/89/99/996948999.db2.gz QPXUJADNAFEKPV-UHFFFAOYSA-N -1 0 345.317 3.592 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)OCc2cccc(Cl)c2)c1 ZINC001599491807 996953026 /nfs/dbraw/zinc/95/30/26/996953026.db2.gz DGJCKKHOAKVNJF-UHFFFAOYSA-N -1 0 336.727 3.762 20 0 EHADRM COCc1cc(NC(=O)N(C)c2ccc(C)cc2C)cc(C(=O)[O-])c1 ZINC001599286422 996985997 /nfs/dbraw/zinc/98/59/97/996985997.db2.gz YAEPMJVHGQDEEW-UHFFFAOYSA-N -1 0 342.395 3.816 20 0 EHADRM COc1cc(C)c(C)cc1NC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001599390847 997033009 /nfs/dbraw/zinc/03/30/09/997033009.db2.gz RJEZWYCFHIWEQS-MGPUTAFESA-N -1 0 339.391 3.509 20 0 EHADRM COCc1cc(NC/C=C\c2ccccc2OC)cc(C(=O)[O-])c1 ZINC001599289724 997043279 /nfs/dbraw/zinc/04/32/79/997043279.db2.gz MAHNKPMUCRMARE-ALCCZGGFSA-N -1 0 327.380 3.665 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)[C@H]1CCCC2(CC2)C1 ZINC001599395875 997125654 /nfs/dbraw/zinc/12/56/54/997125654.db2.gz BZEUOANUYWUINT-DYLGSBMWSA-N -1 0 330.380 3.669 20 0 EHADRM CC1(C)Cc2cccc(NCc3[nH]cc(C(=O)[O-])c3C3CC3)c2O1 ZINC001593969452 997134929 /nfs/dbraw/zinc/13/49/29/997134929.db2.gz RQEZMZQECGYTFZ-UHFFFAOYSA-N -1 0 326.396 3.916 20 0 EHADRM COCc1cccc(CN2CCC[C@@H]2c2nc(C(=O)[O-])c(C)s2)c1 ZINC001599295662 997136706 /nfs/dbraw/zinc/13/67/06/997136706.db2.gz BYFPEDSMXFYWSR-OAHLLOKOSA-N -1 0 346.452 3.633 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1Oc1nc(CC(C)C)ns1 ZINC001599399921 997196123 /nfs/dbraw/zinc/19/61/23/997196123.db2.gz KLNNISZCLQBTPT-FNORWQNLSA-N -1 0 334.397 3.635 20 0 EHADRM COc1ccc(/C(C)=C\C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])cc1 ZINC001599506516 997219983 /nfs/dbraw/zinc/21/99/83/997219983.db2.gz RZMLJSUBQNIWIY-FFWXCITRSA-N -1 0 345.439 3.638 20 0 EHADRM COc1ccc([C@@H](C)N(C)C(=O)Nc2ccc(F)cc2C(=O)[O-])cc1 ZINC001599507427 997235506 /nfs/dbraw/zinc/23/55/06/997235506.db2.gz NAVWUPOKZKPWPM-LLVKDONJSA-N -1 0 346.358 3.757 20 0 EHADRM COCc1nc2scc(-c3ccccc3)c2c(SCC(=O)[O-])n1 ZINC001599302864 997261482 /nfs/dbraw/zinc/26/14/82/997261482.db2.gz NKOUANLDEHBPOX-UHFFFAOYSA-N -1 0 346.433 3.681 20 0 EHADRM C[C@]1(C2CCCCC2)CCN1C(=O)c1ccccc1CCC(=O)[O-] ZINC001593992081 997263613 /nfs/dbraw/zinc/26/36/13/997263613.db2.gz BJMYTUNZQWYROS-HXUWFJFHSA-N -1 0 329.440 3.889 20 0 EHADRM C[C@]1(CC(=O)OCc2ccc(C(=O)[O-])c(F)c2)CC1(Cl)Cl ZINC001593998568 997329796 /nfs/dbraw/zinc/32/97/96/997329796.db2.gz TUTVIPMZYRVUCI-ZDUSSCGKSA-N -1 0 335.158 3.541 20 0 EHADRM C[C@@]1(CCNC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C[C@@]1(F)Cl ZINC001594008592 997436390 /nfs/dbraw/zinc/43/63/90/997436390.db2.gz YVFAAOGZMQNMNK-KGLIPLIRSA-N -1 0 349.189 3.864 20 0 EHADRM COc1ccc([C@@H](NC(=O)/C(C)=C\C2CCC(C)CC2)C(=O)[O-])cc1 ZINC001599521604 997489781 /nfs/dbraw/zinc/48/97/81/997489781.db2.gz XJTMDSVQCYPTMP-BRTVXSHYSA-N -1 0 345.439 3.710 20 0 EHADRM COc1ccc([C@H](NC(=O)Nc2ccc(C(=O)[O-])cc2)C(C)C)cc1 ZINC001599522644 997507809 /nfs/dbraw/zinc/50/78/09/997507809.db2.gz UULPAZVSJPTZTG-QGZVFWFLSA-N -1 0 342.395 3.912 20 0 EHADRM CO[C@@H](C(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21)c1ccccc1 ZINC001599320180 997567700 /nfs/dbraw/zinc/56/77/00/997567700.db2.gz XNWLPYAHUSSTSJ-QZTJIDSGSA-N -1 0 340.375 3.693 20 0 EHADRM COc1cc(F)c(C(=O)Nc2scc(C(=O)[O-])c2C)c(Cl)c1 ZINC001599421978 997610919 /nfs/dbraw/zinc/61/09/19/997610919.db2.gz MOWSHVFXRZYJKW-UHFFFAOYSA-N -1 0 343.763 3.808 20 0 EHADRM CO[C@H]1C[C@@H](COc2c(Cl)cc(C(=O)[O-])cc2Br)C1 ZINC001599326132 997667683 /nfs/dbraw/zinc/66/76/83/997667683.db2.gz PRGZHXOPQIIDGQ-OTSSQURYSA-N -1 0 349.608 3.605 20 0 EHADRM COc1ccc([C@H](NCc2sccc2Cl)C(=O)[O-])cc1Cl ZINC001599531826 997668983 /nfs/dbraw/zinc/66/89/83/997668983.db2.gz SLGXUULOTBWWJC-ZDUSSCGKSA-N -1 0 346.235 3.979 20 0 EHADRM COC(=O)c1cc(/C=C(\C(=O)[O-])c2nc(C(C)(C)C)cs2)c(C)o1 ZINC001598928012 997686806 /nfs/dbraw/zinc/68/68/06/997686806.db2.gz HKVMIVLEHBHMHC-WDZFZDKYSA-N -1 0 349.408 3.754 20 0 EHADRM COc1ccc([C@@H](Nc2ccc(C(=O)[O-])c(OC)n2)C(C)C)cc1 ZINC001599533067 997694209 /nfs/dbraw/zinc/69/42/09/997694209.db2.gz YLTZRSWHRAAHBC-INIZCTEOSA-N -1 0 330.384 3.606 20 0 EHADRM COCCCCC(=O)Nc1ccc(Oc2ccccc2)cc1C(=O)[O-] ZINC001599223388 997711447 /nfs/dbraw/zinc/71/14/47/997711447.db2.gz KVFFNVDVJUMNFU-UHFFFAOYSA-N -1 0 343.379 3.932 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1cnc2ccsc2c1 ZINC000683319589 1016155758 /nfs/dbraw/zinc/15/57/58/1016155758.db2.gz RBXCDJBBKUXREM-HNNXBMFYSA-N -1 0 340.404 3.551 20 0 EHADRM C[C@@]1(NC(=O)c2ccc(C(F)F)c(F)c2)CCCC[C@H]1C(=O)[O-] ZINC001594056716 997803058 /nfs/dbraw/zinc/80/30/58/997803058.db2.gz SFVRUTJZVBTYRA-MEDUHNTESA-N -1 0 329.318 3.527 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2nc(C(C)C)cs2)c1 ZINC000340040692 1016157437 /nfs/dbraw/zinc/15/74/37/1016157437.db2.gz GEGBEOMCGSIIRM-UHFFFAOYSA-N -1 0 347.465 3.924 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)C(C)(C)c1ccccc1 ZINC001599541175 997845862 /nfs/dbraw/zinc/84/58/62/997845862.db2.gz DIMOFZZEDKORGJ-BENRWUELSA-N -1 0 340.375 3.676 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)C12CCC(CC1)C2(C)C ZINC001599541985 997859567 /nfs/dbraw/zinc/85/95/67/997859567.db2.gz HTCSIXMQVSKHGP-FNORWQNLSA-N -1 0 344.407 3.915 20 0 EHADRM COc1c(NC(=O)[C@@H](C)CSc2ccccc2)cccc1C(=O)[O-] ZINC001599337862 997868885 /nfs/dbraw/zinc/86/88/85/997868885.db2.gz OCDGMORDWOVAKF-LBPRGKRZSA-N -1 0 345.420 3.760 20 0 EHADRM COc1c(NC(=O)Cc2cccc(C(C)C)c2)cccc1C(=O)[O-] ZINC001599338705 997884725 /nfs/dbraw/zinc/88/47/25/997884725.db2.gz SHLSKJBUNFJSQV-UHFFFAOYSA-N -1 0 327.380 3.698 20 0 EHADRM COc1c(NC(=O)NCc2ccc(C(C)C)cc2)cccc1C(=O)[O-] ZINC001599339152 997892226 /nfs/dbraw/zinc/89/22/26/997892226.db2.gz HWRRGCRLGNDXAF-UHFFFAOYSA-N -1 0 342.395 3.839 20 0 EHADRM CC1(c2cc(NCc3ccc(OCC(=O)[O-])cc3)no2)CCCC1 ZINC001594069342 997899140 /nfs/dbraw/zinc/89/91/40/997899140.db2.gz AMZWCJFYJRGNRH-UHFFFAOYSA-N -1 0 330.384 3.582 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1cccc2c1CCC2 ZINC001599545166 997911350 /nfs/dbraw/zinc/91/13/50/997911350.db2.gz LTWUVZQJLJFCBE-PKNBQFBNSA-N -1 0 338.359 3.501 20 0 EHADRM COc1cc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])ccc1C(F)(F)F ZINC001599441216 997932099 /nfs/dbraw/zinc/93/20/99/997932099.db2.gz VKDBYRQQLJXACA-WDEREUQCSA-N -1 0 345.317 3.544 20 0 EHADRM COc1cc(N[C@@H](C)c2ncc(C(=O)[O-])s2)cc(Cl)c1OC ZINC001599442490 997953096 /nfs/dbraw/zinc/95/30/96/997953096.db2.gz CWPPYSPSEGGZPF-ZETCQYMHSA-N -1 0 342.804 3.685 20 0 EHADRM CC1(c2ccccc2)CN(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC001594078947 997958067 /nfs/dbraw/zinc/95/80/67/997958067.db2.gz DMONLNUWYKQXJU-UHFFFAOYSA-N -1 0 344.798 3.844 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN1C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001594079648 997971869 /nfs/dbraw/zinc/97/18/69/997971869.db2.gz LQKMFGRDIUCECO-IBGZPJMESA-N -1 0 327.355 3.675 20 0 EHADRM C[C@]1(c2ccccc2)CCCN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC001594079765 997974223 /nfs/dbraw/zinc/97/42/23/997974223.db2.gz RKNLVVOJVPLGDU-LZJOCLMNSA-N -1 0 343.467 3.848 20 0 EHADRM COc1cc(NC(=S)Nc2ccccc2Cl)ccc1C(=O)[O-] ZINC001599443969 997976894 /nfs/dbraw/zinc/97/68/94/997976894.db2.gz AMQJJPQJARNHPK-UHFFFAOYSA-N -1 0 336.800 3.856 20 0 EHADRM COc1cc(NCc2ccc(OCC(=O)[O-])cc2)ccc1OC(C)C ZINC001599444095 997978252 /nfs/dbraw/zinc/97/82/52/997978252.db2.gz VNSDDBTXUSVFBO-UHFFFAOYSA-N -1 0 345.395 3.558 20 0 EHADRM COc1c(Oc2ccc(Cl)c(C(F)(F)F)c2)ncnc1C(=O)[O-] ZINC001599344725 997983396 /nfs/dbraw/zinc/98/33/96/997983396.db2.gz NLSZMJJJRLBAQP-UHFFFAOYSA-N -1 0 348.664 3.648 20 0 EHADRM COc1cc(N[C@@H](C(=O)[O-])c2ccsc2)ccc1OC(F)F ZINC001599444669 997989181 /nfs/dbraw/zinc/98/91/81/997989181.db2.gz SOBZRCAJGXMXCQ-GFCCVEGCSA-N -1 0 329.324 3.596 20 0 EHADRM COc1ccc(C[C@@H](C)CN2CCc3cc(C(=O)[O-])ccc32)cc1F ZINC001599549969 997989127 /nfs/dbraw/zinc/98/91/27/997989127.db2.gz GTZXHIDWSARFBM-CYBMUJFWSA-N -1 0 343.398 3.774 20 0 EHADRM COc1ccc(C[C@@H](C)Nc2cc(C)cc(C(=O)[O-])c2)cc1OC ZINC001599550654 998000481 /nfs/dbraw/zinc/00/04/81/998000481.db2.gz HNYUBQYNHULSHV-CYBMUJFWSA-N -1 0 329.396 3.754 20 0 EHADRM C[C@]12CCN(C(=O)Nc3ccc(Cl)c(C(=O)[O-])c3)C[C@H]1C2(F)F ZINC001594089805 998032309 /nfs/dbraw/zinc/03/23/09/998032309.db2.gz ZPEGSADQHZZCBA-RISCZKNCSA-N -1 0 344.745 3.547 20 0 EHADRM C[C@@]12CCN(C(=O)Nc3ccc(Cl)c(C(=O)[O-])c3)C[C@@H]1C2(F)F ZINC001594089806 998032435 /nfs/dbraw/zinc/03/24/35/998032435.db2.gz ZPEGSADQHZZCBA-SMDDNHRTSA-N -1 0 344.745 3.547 20 0 EHADRM COc1cc(OC)c(NC2CCC(CC(=O)[O-])CC2)cc1Cl ZINC001599448605 998052143 /nfs/dbraw/zinc/05/21/43/998052143.db2.gz CZFNNKYRDXNNIQ-UHFFFAOYSA-N -1 0 327.808 3.803 20 0 EHADRM Cc1ccsc1[C@H]1NC(=O)N(Cc2ccccc2)C(C)=C1C(=O)[O-] ZINC001594098541 998082344 /nfs/dbraw/zinc/08/23/44/998082344.db2.gz HKWBSOULGRUAKT-HNNXBMFYSA-N -1 0 342.420 3.682 20 0 EHADRM COC(=O)c1cc(NC(=O)c2ccc3ccccc3c2)cc(C(=O)[O-])c1 ZINC001598948465 998099758 /nfs/dbraw/zinc/09/97/58/998099758.db2.gz ZJWXOWKQAHRSGP-UHFFFAOYSA-N -1 0 349.342 3.577 20 0 EHADRM COc1cc(OC)cc([C@H](SC[C@@H]2CC[C@@H]3C[C@@H]3C2)C(=O)[O-])c1 ZINC001599452186 998123022 /nfs/dbraw/zinc/12/30/22/998123022.db2.gz YKHUZADQDSVJMI-FJZAXULXSA-N -1 0 336.453 3.999 20 0 EHADRM COc1cc(OC)cc([C@H](N[C@@H](C)c2cc(C)sc2C)C(=O)[O-])c1 ZINC001599452412 998127057 /nfs/dbraw/zinc/12/70/57/998127057.db2.gz HHJIZAIHKDWYNA-GTNSWQLSSA-N -1 0 349.452 3.859 20 0 EHADRM COc1cc(OC)cc(Oc2cc(C(F)(F)F)c(C(=O)[O-])cn2)c1 ZINC001599453172 998141316 /nfs/dbraw/zinc/14/13/16/998141316.db2.gz DCAIJDLNZJOUAZ-UHFFFAOYSA-N -1 0 343.257 3.608 20 0 EHADRM CC1=CC[C@@](C)(c2nc(COc3cccc(C(=O)[O-])c3)no2)CC1 ZINC001594113665 998229152 /nfs/dbraw/zinc/22/91/52/998229152.db2.gz PWQHHBGEFBIWLE-GOSISDBHSA-N -1 0 328.368 3.735 20 0 EHADRM CCC(CC)n1nc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1C ZINC000683326180 1016199216 /nfs/dbraw/zinc/19/92/16/1016199216.db2.gz YUJLHGVACNZOHY-AWEZNQCLSA-N -1 0 349.475 3.516 20 0 EHADRM COc1cc(C(=O)[O-])cc(N[C@H](C)CSC(C)(C)C)c1OC ZINC001599361899 998274349 /nfs/dbraw/zinc/27/43/49/998274349.db2.gz FFQBEHAMEHSPBA-SNVBAGLBSA-N -1 0 327.446 3.734 20 0 EHADRM COc1cc(C(=O)[O-])cc(N[C@@H](C)c2cc3cnccc3o2)c1OC ZINC001599362044 998276866 /nfs/dbraw/zinc/27/68/66/998276866.db2.gz KQOBELKZSHVXNK-JTQLQIEISA-N -1 0 342.351 3.716 20 0 EHADRM COc1ccc(CNC(C)(C)c2cc(C(=O)[O-])on2)cc1C(C)(C)C ZINC001599571100 998366597 /nfs/dbraw/zinc/36/65/97/998366597.db2.gz KWTJQYKCXATMRF-UHFFFAOYSA-N -1 0 346.427 3.704 20 0 EHADRM COCCOc1ccc(SCc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001599259881 998367195 /nfs/dbraw/zinc/36/71/95/998367195.db2.gz GHMSVHCXLSFUPZ-UHFFFAOYSA-N -1 0 336.384 3.841 20 0 EHADRM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)CC2CCCCC2)c1 ZINC001598964063 998383303 /nfs/dbraw/zinc/38/33/03/998383303.db2.gz QRTVZAKMJZRUQO-GFCCVEGCSA-N -1 0 347.411 3.716 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)CCCCc1ccccc1 ZINC001599370153 998397299 /nfs/dbraw/zinc/39/72/99/998397299.db2.gz SCMOPERWNKAPLD-UHFFFAOYSA-N -1 0 327.380 3.745 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)c1ccc(Cl)cc1 ZINC001599371634 998419772 /nfs/dbraw/zinc/41/97/72/998419772.db2.gz SVLJYKJIWYFJDL-SNVBAGLBSA-N -1 0 333.771 3.789 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1cc(O)c2ccccc2c1 ZINC001599373757 998453907 /nfs/dbraw/zinc/45/39/07/998453907.db2.gz DHSLJITWUZZFEW-UHFFFAOYSA-N -1 0 337.331 3.505 20 0 EHADRM COc1ccc(Cl)cc1CN(C)C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001599578239 998482438 /nfs/dbraw/zinc/48/24/38/998482438.db2.gz YGZIHEKCIRLXIJ-UHFFFAOYSA-N -1 0 347.798 3.627 20 0 EHADRM COc1ccc(-n2ccnc2SC[C@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC001599474280 998502588 /nfs/dbraw/zinc/50/25/88/998502588.db2.gz JMEKZQCMEQXVSY-CZUORRHYSA-N -1 0 346.452 3.864 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC001599377892 998518957 /nfs/dbraw/zinc/51/89/57/998518957.db2.gz OJILXYQFHIUVJB-GJZGRUSLSA-N -1 0 344.338 3.632 20 0 EHADRM COc1ccc(F)c(NCc2cc(C)c(OCC(=O)[O-])c(C)c2)c1 ZINC001599581812 998543671 /nfs/dbraw/zinc/54/36/71/998543671.db2.gz OKORBKODHYZKNM-UHFFFAOYSA-N -1 0 333.359 3.527 20 0 EHADRM C[C@H]1[C@H](Nc2ccc(-n3cccn3)c(Cl)c2)CC[C@H]1CC(=O)[O-] ZINC001594185716 998719770 /nfs/dbraw/zinc/71/97/70/998719770.db2.gz RGVSFBGLPUMAJK-TYNCELHUSA-N -1 0 333.819 3.827 20 0 EHADRM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1C(=O)CCc1ccc(C(F)F)cc1 ZINC001594206010 998792171 /nfs/dbraw/zinc/79/21/71/998792171.db2.gz NYIOUTRICNDVTG-VXGBXAGGSA-N -1 0 339.382 3.657 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1C(=O)CC1CC(c2ccccc2)C1 ZINC001594207072 998796932 /nfs/dbraw/zinc/79/69/32/998796932.db2.gz WFXQHSZGBRJSSR-NZYCMMBZSA-N -1 0 329.440 3.671 20 0 EHADRM C[C@H]1CC(C)(C)CN1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001594216327 998831760 /nfs/dbraw/zinc/83/17/60/998831760.db2.gz DYWYPTNPQGFDFB-VIFPVBQESA-N -1 0 342.342 3.639 20 0 EHADRM C[C@H]1CC(C)(C)CN1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001594216732 998833325 /nfs/dbraw/zinc/83/33/25/998833325.db2.gz HNIPZQLDBJBMMC-LBPRGKRZSA-N -1 0 336.457 3.657 20 0 EHADRM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001594217696 998839313 /nfs/dbraw/zinc/83/93/13/998839313.db2.gz XCBXTLLATNJQKK-XJKSGUPXSA-N -1 0 348.443 3.876 20 0 EHADRM Cc1ccc(Oc2ccccc2)c(NC(=O)C2CC(C(=O)[O-])C2)c1 ZINC000683337764 1016255889 /nfs/dbraw/zinc/25/58/89/1016255889.db2.gz BLUTYNCVKMOBGY-UHFFFAOYSA-N -1 0 325.364 3.837 20 0 EHADRM C[C@H]1C[C@@H](CCNC(=O)N2CCC(CC(=O)[O-])CC2)CC(C)(C)C1 ZINC001594233747 998891460 /nfs/dbraw/zinc/89/14/60/998891460.db2.gz ZWTNJTUXJYCEMZ-GOEBONIOSA-N -1 0 338.492 3.735 20 0 EHADRM C[C@H]1CC(F)(F)CCN1C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC001594244997 998934077 /nfs/dbraw/zinc/93/40/77/998934077.db2.gz CUHFBAZCSPTVPI-QMMMGPOBSA-N -1 0 332.734 3.690 20 0 EHADRM CO[C@H](C(=O)[O-])c1ccccc1OCc1cc(F)cc2cccnc21 ZINC001599026592 999020661 /nfs/dbraw/zinc/02/06/61/999020661.db2.gz MVQGPQXROGZXPO-SFHVURJKSA-N -1 0 341.338 3.725 20 0 EHADRM CO[C@@H](C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-])c1ccccc1 ZINC001599026987 999023315 /nfs/dbraw/zinc/02/33/15/999023315.db2.gz NGNFXWZCBISUOD-QGZVFWFLSA-N -1 0 327.380 3.834 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2ccccc2CCC(=O)[O-])C1 ZINC001594269607 999042267 /nfs/dbraw/zinc/04/22/67/999042267.db2.gz LFDUTIXXESEXAM-BEFAXECRSA-N -1 0 337.419 3.927 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)NCC2(C(=O)[O-])CCCCC2)c1 ZINC001599040928 999117025 /nfs/dbraw/zinc/11/70/25/999117025.db2.gz DBXUKPWODGYLJO-ZDUSSCGKSA-N -1 0 334.416 3.551 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)NC2(CC(=O)[O-])CCCCC2)c1 ZINC001599041066 999117692 /nfs/dbraw/zinc/11/76/92/999117692.db2.gz JCNVZYURNRWPSO-CYBMUJFWSA-N -1 0 334.416 3.693 20 0 EHADRM C[C@@H]1CC/C(=C\C(=O)N[C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)C1 ZINC001594291482 999123818 /nfs/dbraw/zinc/12/38/18/999123818.db2.gz WCIZRCJTLCPNTE-CRQUIYHXSA-N -1 0 341.329 3.851 20 0 EHADRM C[C@H]1CC=C(C(=O)N[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)CC1 ZINC001594292422 999128160 /nfs/dbraw/zinc/12/81/60/999128160.db2.gz KXSQRHVZHYZFTD-HZMBPMFUSA-N -1 0 341.329 3.694 20 0 EHADRM CO[C@@H](C)c1nc(CNc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)cs1 ZINC001599042793 999129675 /nfs/dbraw/zinc/12/96/75/999129675.db2.gz QGEGHFQSIAKQQJ-NZVBXONLSA-N -1 0 332.425 3.651 20 0 EHADRM C[C@@H]1CC[C@](C)(/C=C/C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])C1(C)C ZINC001594295787 999138925 /nfs/dbraw/zinc/13/89/25/999138925.db2.gz HAAFYURYNPVNFK-XMKYYNPASA-N -1 0 343.467 3.817 20 0 EHADRM CO[C@@H](CC(C)C)C(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001599045151 999145668 /nfs/dbraw/zinc/14/56/68/999145668.db2.gz LVEUCIIZYHBXIA-STQMWFEESA-N -1 0 348.317 3.593 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1ccsc1C(=O)[O-] ZINC001594299189 999154963 /nfs/dbraw/zinc/15/49/63/999154963.db2.gz UJADDAYYQXFSOJ-DYEKYZERSA-N -1 0 339.457 3.862 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001594299342 999155915 /nfs/dbraw/zinc/15/59/15/999155915.db2.gz YCJBMTQVCJJBJO-IJEWVQPXSA-N -1 0 347.459 3.539 20 0 EHADRM C[C@@H]1CC[C@@H](CC(=O)Nc2ccc(Br)c(C(=O)[O-])c2)C1 ZINC001594303148 999172699 /nfs/dbraw/zinc/17/26/99/999172699.db2.gz VDHPRWWIDFSBMB-NXEZZACHSA-N -1 0 340.217 3.912 20 0 EHADRM C[C@H]1CC[C@@H](CC(=O)Nc2ccc(Br)c(C(=O)[O-])c2)C1 ZINC001594303150 999172815 /nfs/dbraw/zinc/17/28/15/999172815.db2.gz VDHPRWWIDFSBMB-VHSXEESVSA-N -1 0 340.217 3.912 20 0 EHADRM CC1CCC(CNC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)CC1 ZINC001594308030 999189733 /nfs/dbraw/zinc/18/97/33/999189733.db2.gz GESPWKWXMAVBMZ-UHFFFAOYSA-N -1 0 329.400 3.814 20 0 EHADRM CC(C)[C@H](CNC(=O)CCCc1ccc2ccccc2c1)C(=O)[O-] ZINC000655565245 1016300525 /nfs/dbraw/zinc/30/05/25/1016300525.db2.gz WJYOETCHLIQFBL-SFHVURJKSA-N -1 0 327.424 3.636 20 0 EHADRM C[C@@H]1CCC[C@@H](CNC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)C1 ZINC001594345769 999309522 /nfs/dbraw/zinc/30/95/22/999309522.db2.gz GGKLVIRXKAKOCE-VXGBXAGGSA-N -1 0 329.400 3.814 20 0 EHADRM C[C@@H]1CCC[C@H](CNC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)[C@H]1C ZINC001594346936 999314217 /nfs/dbraw/zinc/31/42/17/999314217.db2.gz TYYWNSHDTFMZLX-QKPAOTATSA-N -1 0 338.492 3.591 20 0 EHADRM C[C@@H]1CCC[C@@H](N(C)C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC001594348311 999319620 /nfs/dbraw/zinc/31/96/20/999319620.db2.gz KRKAIHIPZKRVBV-VDNDLQMASA-N -1 0 330.428 3.917 20 0 EHADRM C[C@@H]1CCC[C@H](OC(=O)c2cc(Br)cc(C(=O)[O-])c2)C1 ZINC001594352215 999332975 /nfs/dbraw/zinc/33/29/75/999332975.db2.gz ACQRCGGNTVWZCX-RNCFNFMXSA-N -1 0 341.201 3.883 20 0 EHADRM C[C@@H]1CCC[C@@H](OCCCCCC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1 ZINC001594354266 999338718 /nfs/dbraw/zinc/33/87/18/999338718.db2.gz BHUZRFYRTAYINC-BFYDXBDKSA-N -1 0 341.492 3.758 20 0 EHADRM C[C@@H]1CCC[C@H]1CC(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC001594357931 999353681 /nfs/dbraw/zinc/35/36/81/999353681.db2.gz RJCSSBNFBQTUQL-WTANOLMUSA-N -1 0 325.408 3.908 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CC(=O)N[C@](C)(Cc1ccc(F)cc1)C(=O)[O-] ZINC001594364257 999376233 /nfs/dbraw/zinc/37/62/33/999376233.db2.gz XCMRBFLBGFZCKY-ZXYWRSMDSA-N -1 0 335.419 3.544 20 0 EHADRM C[C@@H]1CCCC[C@H]1CC(=O)N[C@@](C)(Cc1ccc(F)cc1)C(=O)[O-] ZINC001594364256 999376344 /nfs/dbraw/zinc/37/63/44/999376344.db2.gz XCMRBFLBGFZCKY-WTANOLMUSA-N -1 0 335.419 3.544 20 0 EHADRM C[C@@H]1CCCC[C@H]1CC(=O)N[C@](C)(Cc1ccc(F)cc1)C(=O)[O-] ZINC001594364254 999376410 /nfs/dbraw/zinc/37/64/10/999376410.db2.gz XCMRBFLBGFZCKY-FRIZHTMISA-N -1 0 335.419 3.544 20 0 EHADRM C[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001594366149 999383654 /nfs/dbraw/zinc/38/36/54/999383654.db2.gz NEUWIEQBMJWGOC-SJWGOKEGSA-N -1 0 330.428 3.917 20 0 EHADRM C[C@@H]1CCCC[C@@H]1NC(=S)Nc1ccc2c(c1)[nH]cc2C(=O)[O-] ZINC001594369838 999392539 /nfs/dbraw/zinc/39/25/39/999392539.db2.gz APHUMUGPARBMAA-YGRLFVJLSA-N -1 0 331.441 3.731 20 0 EHADRM CC(C)Oc1c(NC(=O)N2CCC[C@@H](C)CC2)cccc1C(=O)[O-] ZINC001594380557 999437410 /nfs/dbraw/zinc/43/74/10/999437410.db2.gz PCEAGQOVTJGBNG-CYBMUJFWSA-N -1 0 334.416 3.826 20 0 EHADRM C[C@H]1CCCc2ccccc2[C@H]1NC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001594388095 999468998 /nfs/dbraw/zinc/46/89/98/999468998.db2.gz HNBKKGGZUMLUPC-SJCJKPOMSA-N -1 0 339.395 3.615 20 0 EHADRM C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001594389115 999473442 /nfs/dbraw/zinc/47/34/42/999473442.db2.gz RINRGNSTGIDAJF-KZULUSFZSA-N -1 0 341.382 3.967 20 0 EHADRM C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001594389117 999473972 /nfs/dbraw/zinc/47/39/72/999473972.db2.gz RINRGNSTGIDAJF-XIKOKIGWSA-N -1 0 341.382 3.967 20 0 EHADRM COc1cc(CNc2ccc(CC(=O)[O-])cc2)ccc1OC(C)C ZINC000076274997 1016348808 /nfs/dbraw/zinc/34/88/08/1016348808.db2.gz XJNNTUOMNNNIQT-UHFFFAOYSA-N -1 0 329.396 3.722 20 0 EHADRM CC(C)[C@H](CNC(=O)c1ccccc1Oc1ccccc1)C(=O)[O-] ZINC000655575112 1016371330 /nfs/dbraw/zinc/37/13/30/1016371330.db2.gz ZPXRGEOLZJECMS-INIZCTEOSA-N -1 0 327.380 3.566 20 0 EHADRM C[C@@H](NC(=O)CC/C=C/c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655575248 1016372808 /nfs/dbraw/zinc/37/28/08/1016372808.db2.gz HAPBAEKNSKWVAK-BWHYYWTOSA-N -1 0 329.440 3.732 20 0 EHADRM C[C@@H]1C[C@@H](C)[C@H](C(=O)Nc2cc(Cl)cc(Br)c2[O-])O1 ZINC000407962863 1016513435 /nfs/dbraw/zinc/51/34/35/1016513435.db2.gz FZBSHDVEYIIVDK-NQYJQULFSA-N -1 0 348.624 3.560 20 0 EHADRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cc(F)cc(C(F)(F)F)c1 ZINC000166160516 1016589883 /nfs/dbraw/zinc/58/98/83/1016589883.db2.gz FQYGIZOBKLWKFR-UHFFFAOYSA-N -1 0 344.220 3.711 20 0 EHADRM CCN(C(=O)NCC1(C(=O)[O-])CCC1)[C@H](C)c1cc2ccccc2o1 ZINC000659421459 1016669831 /nfs/dbraw/zinc/66/98/31/1016669831.db2.gz KBQMGZMXCRAQKS-CYBMUJFWSA-N -1 0 344.411 3.780 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC000648353200 1016742705 /nfs/dbraw/zinc/74/27/05/1016742705.db2.gz JQCSYQSKQQUEIZ-BHYNMZESSA-N -1 0 344.238 3.542 20 0 EHADRM CCS(=O)(=O)[N-]c1nc2ccc(Oc3ccccc3)cc2s1 ZINC000547818588 1016778045 /nfs/dbraw/zinc/77/80/45/1016778045.db2.gz FOCWUIKLCFRRQF-UHFFFAOYSA-N -1 0 334.422 3.850 20 0 EHADRM O=S(=O)([N-]c1ccnc(Cl)c1)c1ccccc1C(F)(F)F ZINC000180253045 1016895340 /nfs/dbraw/zinc/89/53/40/1016895340.db2.gz RRJUIXKTACLENE-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM Cc1cc(Nc2nc(Cl)cnc2Br)ccc1C(=O)[O-] ZINC001211647670 1016917030 /nfs/dbraw/zinc/91/70/30/1016917030.db2.gz BWEJPQJWAQHKFM-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM CCO[C@H](C)c1nc(CC(=O)Nc2cccc(Cl)c2[O-])cs1 ZINC000340319994 1016938404 /nfs/dbraw/zinc/93/84/04/1016938404.db2.gz XACVZSKTGNUGMP-SECBINFHSA-N -1 0 340.832 3.781 20 0 EHADRM O=C(Nc1nnc(/C=C/c2ccco2)s1)c1c([O-])cc(F)cc1F ZINC000135261524 1016983170 /nfs/dbraw/zinc/98/31/70/1016983170.db2.gz FACKSXVBOCLTLM-ONEGZZNKSA-N -1 0 349.318 3.538 20 0 EHADRM CCC(CC)n1ccc(CN(CCC(=O)[O-])Cc2ccccc2)n1 ZINC000659790783 1017021202 /nfs/dbraw/zinc/02/12/02/1017021202.db2.gz YEXCUEPJDACEAU-UHFFFAOYSA-N -1 0 329.444 3.721 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N2CC[C@H](C)[C@@H](C)C2)s1 ZINC000471319385 1017043483 /nfs/dbraw/zinc/04/34/83/1017043483.db2.gz FVTFKWFXGBOUGE-JQWIXIFHSA-N -1 0 348.447 3.584 20 0 EHADRM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000183341894 1032163103 /nfs/dbraw/zinc/16/31/03/1032163103.db2.gz ZNEJJPMPYOFRPR-ZETCQYMHSA-N -1 0 345.267 3.921 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c(O)c1 ZINC000135577042 1017235409 /nfs/dbraw/zinc/23/54/09/1017235409.db2.gz ZELOSCYARFCDGI-UHFFFAOYSA-N -1 0 348.207 3.508 20 0 EHADRM O=C([O-])c1coc(C(=O)Nc2cccc(COCc3ccco3)c2)c1 ZINC000183763001 1032204438 /nfs/dbraw/zinc/20/44/38/1032204438.db2.gz PLWBVLFIHBFMLY-UHFFFAOYSA-N -1 0 341.319 3.540 20 0 EHADRM CCOc1cccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000485021206 1032249463 /nfs/dbraw/zinc/24/94/63/1032249463.db2.gz BGLNTPOQCJPEQA-UHFFFAOYSA-N -1 0 329.780 3.679 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccc[nH]2)cc1)c1cc(F)ccc1F ZINC000538259545 1032255372 /nfs/dbraw/zinc/25/53/72/1032255372.db2.gz JCKJZGVLAIQOJY-UHFFFAOYSA-N -1 0 334.347 3.761 20 0 EHADRM CN(C(=O)NCCCCCC(=O)[O-])[C@@H]1CCC[C@H]1c1ccccc1 ZINC000414628633 1017079426 /nfs/dbraw/zinc/07/94/26/1017079426.db2.gz PCPIEIHZOABZRD-DLBZAZTESA-N -1 0 332.444 3.609 20 0 EHADRM CCCc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)n(C)n1 ZINC000536768710 1032262001 /nfs/dbraw/zinc/26/20/01/1032262001.db2.gz WIUKKIVFEVSPTF-UHFFFAOYSA-N -1 0 341.502 3.532 20 0 EHADRM CCOc1ccccc1[N-]S(=O)(=O)c1cccc(C)c1Cl ZINC000538307793 1032271319 /nfs/dbraw/zinc/27/13/19/1032271319.db2.gz HTJRJKGLEPICIP-UHFFFAOYSA-N -1 0 325.817 3.848 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cc(CC(C)(C)C)[nH]n2)c1Cl ZINC000538364087 1032310944 /nfs/dbraw/zinc/31/09/44/1032310944.db2.gz JPBGHMQIDAYLFO-UHFFFAOYSA-N -1 0 341.864 3.761 20 0 EHADRM CC[C@H]1CC[C@@H](C)N1C(=O)N=c1[n-]nc(Cc2ccc(C)cc2)s1 ZINC000536818660 1032321336 /nfs/dbraw/zinc/32/13/36/1032321336.db2.gz YTDQZOWHWZSBLI-HIFRSBDPSA-N -1 0 344.484 3.654 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc(-c3ccco3)cc2F)C1 ZINC000905116173 1032348666 /nfs/dbraw/zinc/34/86/66/1032348666.db2.gz ZJQRQMJPNFVPGJ-OLZOCXBDSA-N -1 0 331.343 3.915 20 0 EHADRM COc1cc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc(OC)c1C(C)C ZINC000905117868 1032348963 /nfs/dbraw/zinc/34/89/63/1032348963.db2.gz LTUONTDUYBOXHI-OLZOCXBDSA-N -1 0 349.427 3.657 20 0 EHADRM CC(C)[C@H](SCc1ccccc1)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000262958020 1032364879 /nfs/dbraw/zinc/36/48/79/1032364879.db2.gz LVBYXCOXFBJHAL-OIISXLGYSA-N -1 0 349.496 3.514 20 0 EHADRM c1cc(N2CCCCC2)ncc1CN=c1nc(C2CCCC2)[n-]s1 ZINC000563879266 1032365735 /nfs/dbraw/zinc/36/57/35/1032365735.db2.gz FQVXYSMWTMBSFU-UHFFFAOYSA-N -1 0 343.500 3.615 20 0 EHADRM CC(C)(C)Cc1csc([N-]S(=O)(=O)c2cncc(Cl)c2)n1 ZINC000538453055 1032380281 /nfs/dbraw/zinc/38/02/81/1032380281.db2.gz SIFVFBRTCLMUPL-UHFFFAOYSA-N -1 0 345.877 3.581 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)C[C@@H]2CCCC[C@@H]2C)c1 ZINC000538474170 1032395588 /nfs/dbraw/zinc/39/55/88/1032395588.db2.gz VILADCDPQCMBDP-ZQIUZPCESA-N -1 0 333.428 3.544 20 0 EHADRM CC(C)C[C@H](CNC(=O)C(C)(C)Cc1cccc(Cl)c1)C(=O)[O-] ZINC000538503442 1032402160 /nfs/dbraw/zinc/40/21/60/1032402160.db2.gz QVYQSESVSAVPPY-CQSZACIVSA-N -1 0 339.863 3.772 20 0 EHADRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000536899479 1032410138 /nfs/dbraw/zinc/41/01/38/1032410138.db2.gz DXOUOBZPVHKIAL-UHFFFAOYSA-N -1 0 329.418 3.704 20 0 EHADRM CCc1cccc(C)c1[N-]S(=O)(=O)c1cnc2ccsc2c1 ZINC000084460537 1032430548 /nfs/dbraw/zinc/43/05/48/1032430548.db2.gz UECVQUOYTBJAPZ-UHFFFAOYSA-N -1 0 332.450 3.968 20 0 EHADRM O=C([O-])CCCCCNC(=O)N1CC2(CCCC2)c2c1cccc2F ZINC000414628730 1017082332 /nfs/dbraw/zinc/08/23/32/1017082332.db2.gz PLTJGRSXTGAZEE-UHFFFAOYSA-N -1 0 348.418 3.812 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)N[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000414633587 1017096144 /nfs/dbraw/zinc/09/61/44/1017096144.db2.gz UVUDVFRGJRMKTD-QGZVFWFLSA-N -1 0 336.407 3.563 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-])cc1 ZINC000601987429 1032580805 /nfs/dbraw/zinc/58/08/05/1032580805.db2.gz XPICCFCBLQBMDP-QJPTWQEYSA-N -1 0 341.498 3.571 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-] ZINC000601992728 1032584486 /nfs/dbraw/zinc/58/44/86/1032584486.db2.gz QSHJOQBUWISAAQ-IJLUTSLNSA-N -1 0 335.425 3.513 20 0 EHADRM CC[C@H](NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000601999754 1032586928 /nfs/dbraw/zinc/58/69/28/1032586928.db2.gz XEYVCLPLFAFGQL-BREBYQMCSA-N -1 0 329.849 3.502 20 0 EHADRM Cc1cccc(C)c1[C@@H]1CCCN1C(=O)[C@H](C)S[C@H](C)C(=O)[O-] ZINC000602008670 1032590976 /nfs/dbraw/zinc/59/09/76/1032590976.db2.gz QKIGEGLPUBEUJX-ZNMIVQPWSA-N -1 0 335.469 3.562 20 0 EHADRM CCC[C@H](NC(=O)c1cccc(Br)c1[O-])c1ccccn1 ZINC000592873013 1032600468 /nfs/dbraw/zinc/60/04/68/1032600468.db2.gz VBZPPNRNQNTAKE-AWEZNQCLSA-N -1 0 349.228 3.821 20 0 EHADRM CC(C(=O)N(C(C)C)C(C)C)=S([O-])c1ccc(Cl)c(F)c1 ZINC000593009596 1032641512 /nfs/dbraw/zinc/64/15/12/1032641512.db2.gz VMLWXJNFXCBBAM-WIUDPPPLSA-N -1 0 333.856 3.621 20 0 EHADRM Cc1cc(C)cc([C@@H](C)NC(=O)C[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000592983468 1032651793 /nfs/dbraw/zinc/65/17/93/1032651793.db2.gz YAEAVZLOWHETIU-QAPCUYQASA-N -1 0 325.408 3.739 20 0 EHADRM CCCCN(C(=O)N=c1[n-]nc(-c2cc(F)ccc2C)s1)C1CC1 ZINC000471345122 1017141315 /nfs/dbraw/zinc/14/13/15/1017141315.db2.gz DSAPCBSXJKTRFZ-UHFFFAOYSA-N -1 0 348.447 3.871 20 0 EHADRM CC[C@@H]1C[C@H](C)CN1C(=O)N=c1[n-]nc(-c2cc(F)ccc2C)s1 ZINC000471356440 1017188153 /nfs/dbraw/zinc/18/81/53/1017188153.db2.gz HVQLMWIYBLCFDV-GXFFZTMASA-N -1 0 348.447 3.727 20 0 EHADRM Cc1ccc(C[C@H]2CCCN2C(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000183617879 1017354409 /nfs/dbraw/zinc/35/44/09/1017354409.db2.gz LEFCXGGXSBWMEL-OAHLLOKOSA-N -1 0 331.362 3.826 20 0 EHADRM Cc1cc(NC(=O)C2CCC(C(=O)[O-])CC2)ccc1Br ZINC000111470737 1017511589 /nfs/dbraw/zinc/51/15/89/1017511589.db2.gz FZQQMCRXPHNGIT-UHFFFAOYSA-N -1 0 340.217 3.587 20 0 EHADRM COc1cccc(CNc2cccc(C(=O)[O-])c2OC(C)C)c1F ZINC000669474192 1032715380 /nfs/dbraw/zinc/71/53/80/1032715380.db2.gz DMTBHOTVMJVEPB-UHFFFAOYSA-N -1 0 333.359 3.932 20 0 EHADRM Cc1cc(Br)c(S(=O)(=O)[N-]c2ccccc2C)s1 ZINC000460408261 1017736302 /nfs/dbraw/zinc/73/63/02/1017736302.db2.gz GYDOKAJWQLMRKY-UHFFFAOYSA-N -1 0 346.271 3.928 20 0 EHADRM C[C@H](c1ccc2ccccc2c1)N(C(=O)NC[C@H](C)C(=O)[O-])C1CC1 ZINC000655886068 1017855388 /nfs/dbraw/zinc/85/53/88/1017855388.db2.gz VRXBFNJYWACVRW-UONOGXRCSA-N -1 0 340.423 3.796 20 0 EHADRM C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)C(C)(C)C(=O)[O-])c2)C1 ZINC000584530534 1017892961 /nfs/dbraw/zinc/89/29/61/1017892961.db2.gz XCZZAKQBHOKHBP-CJNGLKHVSA-N -1 0 333.428 3.831 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@@H]1CC(C)(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655908486 1017904179 /nfs/dbraw/zinc/90/41/79/1017904179.db2.gz XWKDTANMLVQQIN-APIJFGDWSA-N -1 0 338.492 3.732 20 0 EHADRM O=C([O-])c1ccc(-c2cccc(C(=O)C3CCOCC3)c2)c(F)c1 ZINC000579973100 1017917001 /nfs/dbraw/zinc/91/70/01/1017917001.db2.gz VTODYGHUUDFOCW-UHFFFAOYSA-N -1 0 328.339 3.800 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)CCCSc1ccc(Cl)cc1 ZINC000070309600 1017920528 /nfs/dbraw/zinc/92/05/28/1017920528.db2.gz PKQLUPYPDJUOCW-LLVKDONJSA-N -1 0 329.849 3.582 20 0 EHADRM CC(C)c1nc(=NCCc2cnc(SC3CCCC3)nc2)s[n-]1 ZINC000549268643 1017974005 /nfs/dbraw/zinc/97/40/05/1017974005.db2.gz IUIPRSQXNWBKBA-UHFFFAOYSA-N -1 0 349.529 3.563 20 0 EHADRM Cc1cc(Nc2ccnn2Cc2ccc(F)cc2)ccc1C(=O)[O-] ZINC001211650162 1018034698 /nfs/dbraw/zinc/03/46/98/1018034698.db2.gz SLEHDHYZPDHSGK-UHFFFAOYSA-N -1 0 325.343 3.821 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N2CCc3cc(F)ccc3[C@@H]2C)s1 ZINC000606543869 1032743185 /nfs/dbraw/zinc/74/31/85/1032743185.db2.gz JVLBOYKXHKTXJA-NSHDSACASA-N -1 0 348.447 3.593 20 0 EHADRM O=C(Nc1cccc([N-]S(=O)(=O)c2ccco2)c1)C1CCCCC1 ZINC000275735238 1018398469 /nfs/dbraw/zinc/39/84/69/1018398469.db2.gz QDBIMWBLJFQZDI-UHFFFAOYSA-N -1 0 348.424 3.599 20 0 EHADRM CCCCOc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC000013225296 1018442368 /nfs/dbraw/zinc/44/23/68/1018442368.db2.gz QRKMMWBZTRNECM-SZMVWBNQSA-N -1 0 345.439 3.723 20 0 EHADRM CC(C)Oc1ccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)c(F)c1 ZINC000052080375 1018748648 /nfs/dbraw/zinc/74/86/48/1018748648.db2.gz WOGDPFAADOYUEC-UHFFFAOYSA-N -1 0 340.354 3.707 20 0 EHADRM COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000580265133 1018889386 /nfs/dbraw/zinc/88/93/86/1018889386.db2.gz FAMXUNJIMRLWKB-UHFFFAOYSA-N -1 0 349.358 3.927 20 0 EHADRM Cc1ccccc1-c1ccccc1CN=c1[n-]nc([C@H]2CCCO2)o1 ZINC000580284900 1018918242 /nfs/dbraw/zinc/91/82/42/1018918242.db2.gz PMQXQKQKQSBOIA-GOSISDBHSA-N -1 0 335.407 3.931 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H]1C(=O)Nc1cc(Br)ccc1Cl ZINC000128103313 1018974677 /nfs/dbraw/zinc/97/46/77/1018974677.db2.gz OSVDVOHZMZKVFN-BDAKNGLRSA-N -1 0 346.608 3.542 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(COC(C)C)cc2)cc1 ZINC000048421549 1018975542 /nfs/dbraw/zinc/97/55/42/1018975542.db2.gz NDAZIPXIABOLRF-UHFFFAOYSA-N -1 0 347.436 3.614 20 0 EHADRM O=S(=O)([N-]c1ccc2ncccc2c1)c1cc(Cl)ccc1F ZINC000340633641 1019020739 /nfs/dbraw/zinc/02/07/39/1019020739.db2.gz JQWGAKXETSXDCU-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM CCc1nc([N-]S(=O)(=O)c2c(C)n(C)c3ccccc32)sc1C ZINC000340633702 1019022834 /nfs/dbraw/zinc/02/28/34/1019022834.db2.gz QEURYLLWMFJMKU-UHFFFAOYSA-N -1 0 349.481 3.615 20 0 EHADRM O=C([O-])CCOc1cccc(-c2ccccc2OC[C@@H]2CCOC2)c1 ZINC000580330798 1019043246 /nfs/dbraw/zinc/04/32/46/1019043246.db2.gz VCPSLBWTHDJCQL-OAHLLOKOSA-N -1 0 342.391 3.622 20 0 EHADRM O=S(=O)([N-]c1cccnc1)c1ccccc1Oc1ccccc1 ZINC000168213053 1019058017 /nfs/dbraw/zinc/05/80/17/1019058017.db2.gz BRDMSNSKILPLTI-UHFFFAOYSA-N -1 0 326.377 3.675 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)n[nH]1 ZINC000322349808 1019063771 /nfs/dbraw/zinc/06/37/71/1019063771.db2.gz FMEDEVWXEFQPAB-UHFFFAOYSA-N -1 0 335.473 3.806 20 0 EHADRM Cc1nnc([C@H](C)Sc2n[n-]c(=Nc3ccccc3)s2)s1 ZINC000340647321 1019065976 /nfs/dbraw/zinc/06/59/76/1019065976.db2.gz CFQJPAJOOXNXOB-QMMMGPOBSA-N -1 0 335.483 3.717 20 0 EHADRM O=C(Nc1cccc(Br)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000052634095 1019129047 /nfs/dbraw/zinc/12/90/47/1019129047.db2.gz DWWBXFPCHRXLOK-UHFFFAOYSA-N -1 0 343.180 3.543 20 0 EHADRM COCCCOc1cccc(CNc2ccc(C)c(C(=O)[O-])c2)c1 ZINC000340673409 1019151753 /nfs/dbraw/zinc/15/17/53/1019151753.db2.gz VCLNFEJFLGIQBL-UHFFFAOYSA-N -1 0 329.396 3.721 20 0 EHADRM Cc1cc(-c2cc(F)ccc2OC[C@H]2CCOC2)ccc1CC(=O)[O-] ZINC000580466736 1019415399 /nfs/dbraw/zinc/41/53/99/1019415399.db2.gz KWKIRWBWWFDBPP-AWEZNQCLSA-N -1 0 344.382 3.844 20 0 EHADRM COCCOCc1cccc(-c2ccc(CCCC(=O)[O-])s2)c1 ZINC000580467480 1019417582 /nfs/dbraw/zinc/41/75/82/1019417582.db2.gz YPVUKDCNIQOGDH-UHFFFAOYSA-N -1 0 334.437 3.985 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1cccc(OCCc2ccccc2)c1 ZINC000656232953 1019471214 /nfs/dbraw/zinc/47/12/14/1019471214.db2.gz SJBPSQDMHBNNRZ-HNNXBMFYSA-N -1 0 341.407 3.748 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)CCCc1ccc(F)cc1 ZINC000656236209 1019498472 /nfs/dbraw/zinc/49/84/72/1019498472.db2.gz FLRSTQIVSLTXLX-GOSISDBHSA-N -1 0 343.398 3.789 20 0 EHADRM CCOc1cc(/C=C\c2ncc(C(=O)OC)s2)cc(Cl)c1O ZINC000255567093 1019511000 /nfs/dbraw/zinc/51/10/00/1019511000.db2.gz QKEUHELQAIRCKT-PLNGDYQASA-N -1 0 339.800 3.858 20 0 EHADRM CC(C)[C@H](NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000262034079 1019519579 /nfs/dbraw/zinc/51/95/79/1019519579.db2.gz HAYPEBCEURZRSG-MCIONIFRSA-N -1 0 343.345 3.630 20 0 EHADRM C[C@@H]1CCN(C(=O)Cc2cccc(C(=O)[O-])c2)[C@H](c2ccco2)C1 ZINC000262240500 1019569768 /nfs/dbraw/zinc/56/97/68/1019569768.db2.gz XYOHBPQVXKICDQ-CJNGLKHVSA-N -1 0 327.380 3.520 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@@H]1CCOc2ccccc21 ZINC000262531388 1019657476 /nfs/dbraw/zinc/65/74/76/1019657476.db2.gz POYDGFXRWVKLKY-CQSZACIVSA-N -1 0 325.364 3.506 20 0 EHADRM CN(Cc1ccc2ccccc2c1)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262752069 1019723164 /nfs/dbraw/zinc/72/31/64/1019723164.db2.gz YGZFOTRWAGHTCZ-QAQDUYKDSA-N -1 0 325.408 3.689 20 0 EHADRM CCc1ccc([C@H]2CCCCN2C(=O)c2c(C)coc2CC(=O)[O-])o1 ZINC000262869658 1019752338 /nfs/dbraw/zinc/75/23/38/1019752338.db2.gz FXJLXJLHIUXZID-CQSZACIVSA-N -1 0 345.395 3.738 20 0 EHADRM CC(C)(CCNC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000262878904 1019755658 /nfs/dbraw/zinc/75/56/58/1019755658.db2.gz CALNYJRPALFULE-QWRGUYRKSA-N -1 0 344.238 3.714 20 0 EHADRM CC(C)c1ccc(CCC(=O)N2CC[C@](C(=O)[O-])(C(C)C)C2)cc1 ZINC000262939369 1019772641 /nfs/dbraw/zinc/77/26/41/1019772641.db2.gz PSSYXCWHUUBXGZ-HXUWFJFHSA-N -1 0 331.456 3.702 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)[C@H](C(=O)[O-])C1 ZINC000263039128 1019798349 /nfs/dbraw/zinc/79/83/49/1019798349.db2.gz PAWXKGLQLFWRPL-RISCZKNCSA-N -1 0 347.798 3.925 20 0 EHADRM Cc1csc(-c2cccc(C(=O)N[C@](C)(CC(=O)[O-])C(C)C)c2)n1 ZINC000263048386 1019800154 /nfs/dbraw/zinc/80/01/54/1019800154.db2.gz RWVYCECTGQJJPQ-GOSISDBHSA-N -1 0 346.452 3.738 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ccccc2SC)c(Cl)c1 ZINC000580671526 1019820694 /nfs/dbraw/zinc/82/06/94/1019820694.db2.gz DMNKAWIWNXWROA-UHFFFAOYSA-N -1 0 343.857 3.871 20 0 EHADRM CCC[C@@H](CNC(=O)c1cc(Cl)ccc1SCC)C(=O)[O-] ZINC000263202137 1019838841 /nfs/dbraw/zinc/83/88/41/1019838841.db2.gz NUOMMYCHGXMGKO-JTQLQIEISA-N -1 0 329.849 3.683 20 0 EHADRM CC[C@H](CC(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccc(OC)cc1 ZINC000263287898 1019862441 /nfs/dbraw/zinc/86/24/41/1019862441.db2.gz QBSWGJGLIJIAIF-OAHLLOKOSA-N -1 0 341.407 3.845 20 0 EHADRM CC(=O)Nc1ccc(C)c(NS(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000057497976 1019887037 /nfs/dbraw/zinc/88/70/37/1019887037.db2.gz VDZQESONPJDWMN-UHFFFAOYSA-N -1 0 346.452 3.878 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)Nc1ccc(OC(C)(C)C)cc1 ZINC000263397246 1019897486 /nfs/dbraw/zinc/89/74/86/1019897486.db2.gz FPMOUPSIYCSIDI-UHFFFAOYSA-N -1 0 331.368 3.645 20 0 EHADRM Cc1c(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c2ccccc2n1C ZINC000340742529 1019902997 /nfs/dbraw/zinc/90/29/97/1019902997.db2.gz QRVQFDRJOBZQKF-UHFFFAOYSA-N -1 0 336.363 3.566 20 0 EHADRM O=C(N=c1[n-]nc(C2CC2)s1)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000549943873 1019939610 /nfs/dbraw/zinc/93/96/10/1019939610.db2.gz KBIXADGVWPREPF-HUUCEWRRSA-N -1 0 342.468 3.685 20 0 EHADRM CN(CC(=O)[O-])C(=O)c1ccc(-c2cccc3ccccc32)s1 ZINC000580810243 1020042766 /nfs/dbraw/zinc/04/27/66/1020042766.db2.gz QWJKYRKDMHXQHP-UHFFFAOYSA-N -1 0 325.389 3.725 20 0 EHADRM Cc1cc(C)c(C(=O)Nc2ccc(OCC(=O)[O-])cc2C)c(C)c1 ZINC000261671043 1020044513 /nfs/dbraw/zinc/04/45/13/1020044513.db2.gz GEKBBUXIBXBOGG-UHFFFAOYSA-N -1 0 327.380 3.636 20 0 EHADRM CC[C@H](NC(=O)N(C)C1(C(=O)[O-])CCCCC1)c1ccc(C)cc1 ZINC000580931065 1020262648 /nfs/dbraw/zinc/26/26/48/1020262648.db2.gz VQWKNOOTXAXMEY-INIZCTEOSA-N -1 0 332.444 3.875 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)s1 ZINC000089750271 1020316881 /nfs/dbraw/zinc/31/68/81/1020316881.db2.gz VAWHIVNRCWTSAC-UHFFFAOYSA-N -1 0 337.344 3.582 20 0 EHADRM COc1cc(-c2cccc(O[C@H](C)C(=O)[O-])c2)cnc1C(F)(F)F ZINC000581083180 1020411569 /nfs/dbraw/zinc/41/15/69/1020411569.db2.gz PYRGBZIWSHWRSB-SECBINFHSA-N -1 0 341.285 3.628 20 0 EHADRM O=C(CCn1cnc2ccccc21)Nc1cc(Cl)c([O-])cc1F ZINC000345661681 1020433549 /nfs/dbraw/zinc/43/35/49/1020433549.db2.gz SPHDJGJAECBMAJ-UHFFFAOYSA-N -1 0 333.750 3.563 20 0 EHADRM CC(C)c1nc(=Nc2ccc3c(c2)CN(CC(F)(F)F)C3)s[n-]1 ZINC000581118488 1020445080 /nfs/dbraw/zinc/44/50/80/1020445080.db2.gz KFVUTGQFXYAEBB-UHFFFAOYSA-N -1 0 342.390 3.705 20 0 EHADRM COc1c(F)cc(F)cc1[N-]S(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000760364115 1032903334 /nfs/dbraw/zinc/90/33/34/1032903334.db2.gz IIFBEAFDASDOIM-SREVYHEPSA-N -1 0 343.326 3.525 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2Cl)c1 ZINC000345745594 1020493254 /nfs/dbraw/zinc/49/32/54/1020493254.db2.gz IUUOHNVMRKXTMJ-CHWSQXEVSA-N -1 0 347.773 3.848 20 0 EHADRM CCSc1ccc([C@@H](C)NC(=O)N([C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC000581169493 1020499423 /nfs/dbraw/zinc/49/94/23/1020499423.db2.gz UUBRPRHAZUCFOV-NEPJUHHUSA-N -1 0 336.457 3.507 20 0 EHADRM O=C([O-])COc1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000345800994 1020514365 /nfs/dbraw/zinc/51/43/65/1020514365.db2.gz CYBMYNGAJPCFIG-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)C/C=C\c1ccc(F)cc1 ZINC000345894346 1020594188 /nfs/dbraw/zinc/59/41/88/1020594188.db2.gz XBXWDZLBNQDOLT-SUZKBHRPSA-N -1 0 341.382 3.870 20 0 EHADRM O=C([O-])c1sc2ccsc2c1CNC(=O)Cc1ccccc1 ZINC000345907509 1020602781 /nfs/dbraw/zinc/60/27/81/1020602781.db2.gz ORPFQRQXZRNOPP-UHFFFAOYSA-N -1 0 331.418 3.520 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(F)cc1OC(F)F ZINC000128668279 1020640355 /nfs/dbraw/zinc/64/03/55/1020640355.db2.gz VXMPTCSDEKKXHU-UHFFFAOYSA-N -1 0 339.269 3.686 20 0 EHADRM O=C(CSc1cc(Cl)ccc1Cl)[N-]OCc1cccnc1 ZINC000160847283 1020658650 /nfs/dbraw/zinc/65/86/50/1020658650.db2.gz SWEVRRNFXQAPCX-UHFFFAOYSA-N -1 0 343.235 3.729 20 0 EHADRM CCc1ccc(NC(=O)N(C)[C@H](C(=O)[O-])c2cccc(OC)c2)cc1 ZINC000656475504 1020695852 /nfs/dbraw/zinc/69/58/52/1020695852.db2.gz WGWMNGVLUBZBIH-KRWDZBQOSA-N -1 0 342.395 3.547 20 0 EHADRM CC(C)[C@H](NC(=O)C[C@H](C(=O)[O-])c1ccccc1)c1ccccc1F ZINC000656485699 1020707497 /nfs/dbraw/zinc/70/74/97/1020707497.db2.gz DNSJZZJZEBYPSM-LPHOPBHVSA-N -1 0 343.398 3.898 20 0 EHADRM C[C@H]1CC[C@H](C(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)CC1 ZINC000581374536 1020757686 /nfs/dbraw/zinc/75/76/86/1020757686.db2.gz QCBKJUGCGMCTHU-MQMHXKEQSA-N -1 0 339.382 3.594 20 0 EHADRM Cc1noc(C)c1C[C@H](C)NC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000933256503 1020830488 /nfs/dbraw/zinc/83/04/88/1020830488.db2.gz MRUNWFHZYWWTDP-ZETCQYMHSA-N -1 0 343.210 3.665 20 0 EHADRM COCc1csc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(C)c2)c1 ZINC000656572316 1020942052 /nfs/dbraw/zinc/94/20/52/1020942052.db2.gz HBZSFKDYPKPBHP-HNNXBMFYSA-N -1 0 339.844 3.772 20 0 EHADRM CC1(C)[C@H](C(F)(F)F)CCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000276237972 1020953908 /nfs/dbraw/zinc/95/39/08/1020953908.db2.gz LPKINYVFZADGNL-SECBINFHSA-N -1 0 331.363 3.560 20 0 EHADRM CO[C@@H](CS(=O)(=O)[N-]c1cccc2cc[nH]c21)C1CCCCC1 ZINC000656628093 1021059608 /nfs/dbraw/zinc/05/96/08/1021059608.db2.gz KEGPZAOAKVIAIP-INIZCTEOSA-N -1 0 336.457 3.505 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)CSc1n[n-]c(=S)s1 ZINC000176012422 1021161813 /nfs/dbraw/zinc/16/18/13/1021161813.db2.gz UMGFUVDHROAECH-OUAUKWLOSA-N -1 0 345.559 3.870 20 0 EHADRM C[C@@H](NC(=O)c1sc2cccc(F)c2c1Cl)[C@H](C)C(=O)[O-] ZINC000909654017 1032958715 /nfs/dbraw/zinc/95/87/15/1032958715.db2.gz PNSGPNRXDXHSFG-NKWVEPMBSA-N -1 0 329.780 3.533 20 0 EHADRM CCCN(C(=O)N[C@H]1CC(C)(C)c2ccccc21)[C@@H](CC)C(=O)[O-] ZINC000518470874 1021214333 /nfs/dbraw/zinc/21/43/33/1021214333.db2.gz FRKQKZDWVKVXIV-HOTGVXAUSA-N -1 0 332.444 3.694 20 0 EHADRM O=C(Nc1c[nH]nc1-c1ccccc1F)c1cc(F)cc(Cl)c1[O-] ZINC000436794977 1021237070 /nfs/dbraw/zinc/23/70/70/1021237070.db2.gz PTWOAESKTKEAFX-UHFFFAOYSA-N -1 0 349.724 3.966 20 0 EHADRM C[C@H]1CCN(C(=O)N=c2nc(-c3ccccc3)[n-]s2)CC1(C)C ZINC000546131812 1021242054 /nfs/dbraw/zinc/24/20/54/1021242054.db2.gz LZLQOJHMXULWEB-LBPRGKRZSA-N -1 0 330.457 3.527 20 0 EHADRM CCC1(CC)CN(C(=O)c2cc(F)cc(Cl)c2[O-])CCS1 ZINC000436817547 1021243540 /nfs/dbraw/zinc/24/35/40/1021243540.db2.gz BHOKLWXOAKLWMJ-UHFFFAOYSA-N -1 0 331.840 3.933 20 0 EHADRM C[C@@]1(CNC(=O)c2c([O-])cc(Cl)cc2Cl)CCO[C@@H]1C1CC1 ZINC000436818771 1021246036 /nfs/dbraw/zinc/24/60/36/1021246036.db2.gz WAWMWJGBEWBKOU-ZBFHGGJFSA-N -1 0 344.238 3.634 20 0 EHADRM c1ccc(OCCc2n[n-]c(=NCc3ccc4c(c3)CCCC4)o2)cc1 ZINC000427264294 1021267964 /nfs/dbraw/zinc/26/79/64/1021267964.db2.gz CXBOOLJRIAIBCC-UHFFFAOYSA-N -1 0 349.434 3.604 20 0 EHADRM C[C@]1(C2CC2)CN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CCO1 ZINC000656757694 1021279434 /nfs/dbraw/zinc/27/94/34/1021279434.db2.gz RBQKSCYHWTYPRS-GDBMZVCRSA-N -1 0 344.238 3.620 20 0 EHADRM Cn1c2cc(Br)ccc2nc1-c1cc(F)c([O-])c(F)c1 ZINC000436854850 1021280318 /nfs/dbraw/zinc/28/03/18/1021280318.db2.gz HMOWBGJMVKNIKV-UHFFFAOYSA-N -1 0 339.139 3.987 20 0 EHADRM C[C@@H]1CCN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000656764435 1021290055 /nfs/dbraw/zinc/29/00/55/1021290055.db2.gz BFTYKTIJOXXDDB-ISTVAULSSA-N -1 0 332.227 3.618 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc(F)cc(Br)c2[O-])C[C@@H](C)C1 ZINC000436862758 1021301659 /nfs/dbraw/zinc/30/16/59/1021301659.db2.gz IBXATZNYAISVKO-ZJUUUORDSA-N -1 0 344.224 3.802 20 0 EHADRM COc1cccc(OC)c1/C=C\c1nc2c(cccc2C(=O)[O-])o1 ZINC000439272477 1021307525 /nfs/dbraw/zinc/30/75/25/1021307525.db2.gz IPOHOQQLTCTAMO-KTKRTIGZSA-N -1 0 325.320 3.714 20 0 EHADRM COc1cccc(OC)c1/C=C/c1nc2ccc(C(=O)[O-])cc2o1 ZINC000439273599 1021308021 /nfs/dbraw/zinc/30/80/21/1021308021.db2.gz IWJYMTAPYGBBMY-VQHVLOKHSA-N -1 0 325.320 3.714 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cc3ccc(F)cc3nc2C)c1 ZINC000436867532 1021308497 /nfs/dbraw/zinc/30/84/97/1021308497.db2.gz CQXHYGMOSGFBPP-UHFFFAOYSA-N -1 0 338.338 3.843 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)c1 ZINC000436877388 1021327400 /nfs/dbraw/zinc/32/74/00/1021327400.db2.gz OUHAJZISLQAFJX-ZIAGYGMSSA-N -1 0 331.318 3.615 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N3CCC[C@@H](CCF)C3)c12 ZINC000656783981 1021338116 /nfs/dbraw/zinc/33/81/16/1021338116.db2.gz PGJRTVPQQVWKGU-NSHDSACASA-N -1 0 337.420 3.582 20 0 EHADRM Cc1cnccc1C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000436905334 1021348348 /nfs/dbraw/zinc/34/83/48/1021348348.db2.gz RZTFMUUDECMBIO-UHFFFAOYSA-N -1 0 341.592 3.764 20 0 EHADRM CCC(CC)[C@@H]1C[C@H](NC(=O)c2cc(F)cc(Cl)c2[O-])CCO1 ZINC000436907635 1021351826 /nfs/dbraw/zinc/35/18/26/1021351826.db2.gz GGKADFHSODPXOK-DOMZBBRYSA-N -1 0 343.826 3.898 20 0 EHADRM Cc1noc(-c2ccccc2C(=O)Nc2cc(F)cc(Cl)c2[O-])n1 ZINC000436908645 1021352939 /nfs/dbraw/zinc/35/29/39/1021352939.db2.gz WFAQLDLLMINKBY-UHFFFAOYSA-N -1 0 347.733 3.795 20 0 EHADRM CC[C@]1(CNC(=O)c2ccc([O-])c(Cl)c2)OCCc2ccccc21 ZINC000436923801 1021381554 /nfs/dbraw/zinc/38/15/54/1021381554.db2.gz APHOHZLYTOFENW-LJQANCHMSA-N -1 0 345.826 3.654 20 0 EHADRM [O-]c1ccc(Cl)cc1-c1nc(-c2ccc(N3CCCC3)cn2)no1 ZINC000436926316 1021383997 /nfs/dbraw/zinc/38/39/97/1021383997.db2.gz JSMXGGLNFPQSDL-UHFFFAOYSA-N -1 0 342.786 3.758 20 0 EHADRM [O-]c1ccc(Cl)cc1-c1nc(-c2cccc(-n3cccn3)c2)no1 ZINC000436938439 1021401538 /nfs/dbraw/zinc/40/15/38/1021401538.db2.gz LFMRBALBBXOVJR-UHFFFAOYSA-N -1 0 338.754 3.948 20 0 EHADRM Cc1cc(C)cc(C2(C(=O)[N-]S(=O)(=O)c3ccccc3F)CC2)c1 ZINC000048593043 1021402293 /nfs/dbraw/zinc/40/22/93/1021402293.db2.gz XHDDSPMPFSNMGI-UHFFFAOYSA-N -1 0 347.411 3.820 20 0 EHADRM CN(C(=O)c1cc(Cl)ccc1O)[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000436956579 1021421333 /nfs/dbraw/zinc/42/13/33/1021421333.db2.gz SISVOBBOIBXHII-MRXNPFEDSA-N -1 0 341.798 3.630 20 0 EHADRM CCc1cc([N-]S(=O)(=O)c2ccc(Br)o2)ccc1F ZINC000507645416 1021422377 /nfs/dbraw/zinc/42/23/77/1021422377.db2.gz QVJHVRYULHCMDW-UHFFFAOYSA-N -1 0 348.193 3.544 20 0 EHADRM COc1ccnc(Br)c1Nc1ccc(C(=O)[O-])cc1C ZINC001211621092 1032979871 /nfs/dbraw/zinc/97/98/71/1032979871.db2.gz WFLZSMNJZXQMSS-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM O=C([O-])C1(CC(=O)NC[C@@H]2CCCC(F)(F)C2)CCCCCC1 ZINC000507694476 1021446874 /nfs/dbraw/zinc/44/68/74/1021446874.db2.gz YTBKVMCLPBPFRY-CYBMUJFWSA-N -1 0 331.403 3.743 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCC(=Cc2ccccc2F)CC1 ZINC000436994816 1021451382 /nfs/dbraw/zinc/45/13/82/1021451382.db2.gz AUJNHAVMVGATMA-UHFFFAOYSA-N -1 0 329.346 3.990 20 0 EHADRM O=C(Nc1cnns1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436986016 1021457813 /nfs/dbraw/zinc/45/78/13/1021457813.db2.gz FCOOOUWGBOEHMT-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM Cc1c(C(=O)N(C)[C@@H](CC(C)C)C(=O)[O-])cccc1-c1ccccn1 ZINC000581678590 1021467732 /nfs/dbraw/zinc/46/77/32/1021467732.db2.gz TXCIZLKBJQZQEJ-SFHVURJKSA-N -1 0 340.423 3.628 20 0 EHADRM Cc1sc(NC(=O)C2(C(=O)[O-])CC=CC2)nc1-c1ccc(C)cc1 ZINC000656846997 1021475504 /nfs/dbraw/zinc/47/55/04/1021475504.db2.gz AFYVRYKOWONPOJ-UHFFFAOYSA-N -1 0 342.420 3.786 20 0 EHADRM CC(C)[C@H](Sc1ccccc1)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000341346478 1021479622 /nfs/dbraw/zinc/47/96/22/1021479622.db2.gz GRJSSOZQFVHPFI-QOKNQOGYSA-N -1 0 347.480 3.517 20 0 EHADRM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(Cl)c1O ZINC000607102019 1032985615 /nfs/dbraw/zinc/98/56/15/1032985615.db2.gz KKKQXRAPOIGMKI-UHFFFAOYSA-N -1 0 348.207 3.508 20 0 EHADRM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(Cl)ccc1O ZINC000607103995 1032985498 /nfs/dbraw/zinc/98/54/98/1032985498.db2.gz XZPBESBKYPCIKF-UHFFFAOYSA-N -1 0 348.207 3.508 20 0 EHADRM COc1c(C)ccc([N-]S(=O)(=O)c2cnc3ccsc3c2)c1C ZINC000439572590 1021565115 /nfs/dbraw/zinc/56/51/15/1021565115.db2.gz QXIILENKQHUDCG-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM CCC[C@@H]1CCC[C@H]1C(=O)N[C@H](CC(=O)[O-])c1cccc(OC)c1 ZINC000518797129 1021578717 /nfs/dbraw/zinc/57/87/17/1021578717.db2.gz KQQUJZWMEJTBHR-KBRIMQKVSA-N -1 0 333.428 3.544 20 0 EHADRM O=S(=O)(CCC1CCCC1)[N-]c1ncc(-c2cccnc2)s1 ZINC000581707637 1021586821 /nfs/dbraw/zinc/58/68/21/1021586821.db2.gz OKPRGCAJPCZBLZ-UHFFFAOYSA-N -1 0 337.470 3.527 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(C)c1 ZINC000157908996 1021595827 /nfs/dbraw/zinc/59/58/27/1021595827.db2.gz VADZUNPTNKIBHE-UHFFFAOYSA-N -1 0 335.425 3.592 20 0 EHADRM COc1cccc(NC(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c1 ZINC000519680328 1021606439 /nfs/dbraw/zinc/60/64/39/1021606439.db2.gz GKFVGUPVHUPHQT-WMLDXEAASA-N -1 0 346.427 3.583 20 0 EHADRM CN(CCOc1ccccc1Cl)C(=O)c1ccc([O-])c(Cl)c1 ZINC000139003566 1033000082 /nfs/dbraw/zinc/00/00/82/1033000082.db2.gz QMQQLZYVEWYXOG-UHFFFAOYSA-N -1 0 340.206 3.850 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)N[C@@H](C)c1ccc(OC(C)C)cc1)C1CC1 ZINC000519803081 1021692552 /nfs/dbraw/zinc/69/25/52/1021692552.db2.gz CTPYMYNVNDKPRR-SUMWQHHRSA-N -1 0 348.443 3.572 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)N[C@H](C)c1ccc(OC(C)C)cc1)C1CC1 ZINC000519803074 1021692580 /nfs/dbraw/zinc/69/25/80/1021692580.db2.gz CTPYMYNVNDKPRR-CXAGYDPISA-N -1 0 348.443 3.572 20 0 EHADRM [O-]c1c(Cl)nc(Cl)cc1-c1nc(-c2cccc(F)c2)no1 ZINC001213235010 1021707331 /nfs/dbraw/zinc/70/73/31/1021707331.db2.gz WOTIJIILJOFFBL-UHFFFAOYSA-N -1 0 326.114 3.950 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ncc(C(C)C)s2)cc(C)c1F ZINC000437306178 1021718319 /nfs/dbraw/zinc/71/83/19/1021718319.db2.gz PRPMTYMFMYADSN-UHFFFAOYSA-N -1 0 328.434 3.823 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1cc(Cl)ccc1N(C)C ZINC000437309498 1021731758 /nfs/dbraw/zinc/73/17/58/1021731758.db2.gz NUJKOXDLYDJXII-UHFFFAOYSA-N -1 0 330.862 3.577 20 0 EHADRM CCCN(C(=O)N=c1[n-]nc(CC)s1)[C@@H](C)c1ccccc1OC ZINC000519905443 1021772179 /nfs/dbraw/zinc/77/21/79/1021772179.db2.gz LGLSBTPAVUIDPO-LBPRGKRZSA-N -1 0 348.472 3.536 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cccc(C)n2)c(Cl)c1Cl ZINC000437392934 1021779428 /nfs/dbraw/zinc/77/94/28/1021779428.db2.gz DXXMWOZTQDSPAB-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CC[C@H](C)NC(=O)c1ccc(-n2[n-]c(Cc3ccccc3)cc2=O)cc1 ZINC000516840274 1021781268 /nfs/dbraw/zinc/78/12/68/1021781268.db2.gz LGQRLVANBDURFN-HNNXBMFYSA-N -1 0 349.434 3.550 20 0 EHADRM CCSc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000439890875 1021789529 /nfs/dbraw/zinc/78/95/29/1021789529.db2.gz BCTSVLOWCXTSJH-MRXNPFEDSA-N -1 0 347.411 3.884 20 0 EHADRM CC1(C)C[N@H+](CCOc2cccc(C(=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000516872870 1021804308 /nfs/dbraw/zinc/80/43/08/1021804308.db2.gz SFGQKIBDAUCRMN-AWEZNQCLSA-N -1 0 345.361 3.674 20 0 EHADRM CCSc1ccc(C(=O)N[C@H](CC(=O)[O-])C2CCCCC2)cc1 ZINC000439901260 1021813668 /nfs/dbraw/zinc/81/36/68/1021813668.db2.gz KLBBCECKLIVSNO-MRXNPFEDSA-N -1 0 335.469 3.952 20 0 EHADRM CCSc1ccc(C(=O)N[C@@H](CC(=O)[O-])C2CCCCC2)cc1 ZINC000439901259 1021813736 /nfs/dbraw/zinc/81/37/36/1021813736.db2.gz KLBBCECKLIVSNO-INIZCTEOSA-N -1 0 335.469 3.952 20 0 EHADRM Cc1nn(C(C)C)cc1CN=c1[n-]nc(C[C@H](C)CC(C)(C)C)o1 ZINC000341426035 1021843773 /nfs/dbraw/zinc/84/37/73/1021843773.db2.gz OHFDYHFKLSEGRR-ZDUSSCGKSA-N -1 0 333.480 3.804 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(C)c2Cl)c1 ZINC000516947196 1021883140 /nfs/dbraw/zinc/88/31/40/1021883140.db2.gz CFNHGKPVSHEZNB-OAHLLOKOSA-N -1 0 347.798 3.603 20 0 EHADRM C[C@H](Nc1cc(Br)cc(C(=O)[O-])c1)c1ccc(F)cn1 ZINC001167486089 1021941093 /nfs/dbraw/zinc/94/10/93/1021941093.db2.gz MUKNXUWYDWHZRJ-QMMMGPOBSA-N -1 0 339.164 3.855 20 0 EHADRM CCc1n[n-]c(=NC(=O)N2CCCC[C@H]2c2cccc(C)c2C)s1 ZINC000437593915 1021968230 /nfs/dbraw/zinc/96/82/30/1021968230.db2.gz OUPPZAPKFUNGOP-HNNXBMFYSA-N -1 0 344.484 3.898 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N(C)[C@@H](CC)Cc2ccccc2)s1 ZINC000437593650 1021968474 /nfs/dbraw/zinc/96/84/74/1021968474.db2.gz UMEFBTWEFKBCNM-HNNXBMFYSA-N -1 0 346.500 3.788 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N[C@@H]2CCC[C@@H]2C)s1)c1ccccc1 ZINC000519340824 1022020466 /nfs/dbraw/zinc/02/04/66/1022020466.db2.gz IZLZSLNYVPYWIO-NWANDNLSSA-N -1 0 344.484 3.812 20 0 EHADRM Cc1cnc(C(=O)Nc2nnc(-c3ccccc3Cl)s2)c([O-])c1 ZINC000426625470 1022078389 /nfs/dbraw/zinc/07/83/89/1022078389.db2.gz KUGNFVBBOQEAMN-UHFFFAOYSA-N -1 0 346.799 3.520 20 0 EHADRM CCc1nc([N-]S(=O)(=O)CCc2cccc(Cl)c2)sc1C ZINC000506823148 1022092417 /nfs/dbraw/zinc/09/24/17/1022092417.db2.gz SMWMRWSAADRKAV-UHFFFAOYSA-N -1 0 344.889 3.652 20 0 EHADRM Clc1ccc([C@H](CN=c2[n-]nc(C3CC3)o2)OCC2CC2)cc1 ZINC000343218664 1022096848 /nfs/dbraw/zinc/09/68/48/1022096848.db2.gz BQWIHHMMXDDZMW-HNNXBMFYSA-N -1 0 333.819 3.602 20 0 EHADRM CC(C)c1cc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)n[nH]1 ZINC000126156243 1022157076 /nfs/dbraw/zinc/15/70/76/1022157076.db2.gz BLOABIXSROMXEG-UHFFFAOYSA-N -1 0 340.257 3.702 20 0 EHADRM CCC(CC)(NC(=O)Nc1ccc2nc(C3CC3)sc2c1)C(=O)[O-] ZINC000519518876 1022198121 /nfs/dbraw/zinc/19/81/21/1022198121.db2.gz MJSDKHXJUIEBHL-UHFFFAOYSA-N -1 0 347.440 3.939 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2ccccc2SC)cc1F ZINC000188389335 1022217104 /nfs/dbraw/zinc/21/71/04/1022217104.db2.gz HXKLKHQGMAMHCR-UHFFFAOYSA-N -1 0 341.429 3.747 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)CC1 ZINC000165034258 1022227484 /nfs/dbraw/zinc/22/74/84/1022227484.db2.gz XAJMLQIPTQXUIQ-UHFFFAOYSA-N -1 0 345.782 3.722 20 0 EHADRM Cc1cccc(-c2nsc([N-]c3cnn4c3NC[C@@H](C)C4)n2)c1 ZINC000894949181 1022288384 /nfs/dbraw/zinc/28/83/84/1022288384.db2.gz OQMPROJTTSXVQT-LLVKDONJSA-N -1 0 326.429 3.515 20 0 EHADRM CC[C@H]1CCCN(C(=O)N=c2[n-]nc(Cc3ccc(C)cc3)s2)C1 ZINC000517473756 1022355405 /nfs/dbraw/zinc/35/54/05/1022355405.db2.gz SGRFCZDVBPILIG-AWEZNQCLSA-N -1 0 344.484 3.513 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1cccc(Cl)c1O ZINC000188445305 1022370554 /nfs/dbraw/zinc/37/05/54/1022370554.db2.gz FFGLYIDQMCERIK-UHFFFAOYSA-N -1 0 329.830 3.568 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655574624 1022391752 /nfs/dbraw/zinc/39/17/52/1022391752.db2.gz BXVXEFLBNDPRTH-MXSMSXNCSA-N -1 0 345.483 3.897 20 0 EHADRM C[C@@H](C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-])c1cccc(Cl)c1 ZINC000262034937 1022395564 /nfs/dbraw/zinc/39/55/64/1022395564.db2.gz BRJOMQDJKWCKIX-CZUORRHYSA-N -1 0 345.826 3.503 20 0 EHADRM Fc1ccc(Cc2n[n-]c(=NCc3ccc(Cl)cc3F)o2)cc1 ZINC000438238474 1022482628 /nfs/dbraw/zinc/48/26/28/1022482628.db2.gz NEDTWUWFEYIAJG-UHFFFAOYSA-N -1 0 335.741 3.626 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1cncc2ccccc21 ZINC000548359884 1022495212 /nfs/dbraw/zinc/49/52/12/1022495212.db2.gz YJJAQGXZKOHGEA-UHFFFAOYSA-N -1 0 330.434 3.758 20 0 EHADRM Fc1cc(Cl)ccc1CN=c1[n-]nc(CCc2ccccc2)o1 ZINC000438248268 1022503213 /nfs/dbraw/zinc/50/32/13/1022503213.db2.gz SQCANCDHDQLFEQ-UHFFFAOYSA-N -1 0 331.778 3.681 20 0 EHADRM Cc1cc(Br)cc(NC(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000188461456 1022552625 /nfs/dbraw/zinc/55/26/25/1022552625.db2.gz GAPVWLRRGXVUDK-UHFFFAOYSA-N -1 0 342.139 3.994 20 0 EHADRM CC(C)c1n[n-]c(=NCc2ccc(Cn3cnc4ccccc43)cc2)o1 ZINC000517682540 1022564089 /nfs/dbraw/zinc/56/40/89/1022564089.db2.gz MPNBZBFSEUZBPM-UHFFFAOYSA-N -1 0 347.422 3.625 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1ccc(C(C)=O)c(C)c1 ZINC000188489772 1022613695 /nfs/dbraw/zinc/61/36/95/1022613695.db2.gz ZUPNBBSHLLPWJF-UHFFFAOYSA-N -1 0 335.450 3.720 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000517770553 1022635508 /nfs/dbraw/zinc/63/55/08/1022635508.db2.gz WMKNWKLHHLQGRV-JSGCOSHPSA-N -1 0 332.400 3.601 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2cc(C)c(Cl)s2)nc1 ZINC000473759569 1022675382 /nfs/dbraw/zinc/67/53/82/1022675382.db2.gz UZVYHMQBKNRILM-UHFFFAOYSA-N -1 0 334.875 3.628 20 0 EHADRM COC(=O)[C@@H]1CCC[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000330846696 1022695750 /nfs/dbraw/zinc/69/57/50/1022695750.db2.gz CFJDRECIQPQRMV-DTWKUNHWSA-N -1 0 346.210 3.617 20 0 EHADRM CC(F)(F)c1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000188559850 1022825589 /nfs/dbraw/zinc/82/55/89/1022825589.db2.gz QIIXMVWWIJUTCE-UHFFFAOYSA-N -1 0 333.306 3.877 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)cc1Cl ZINC000341654022 1022837423 /nfs/dbraw/zinc/83/74/23/1022837423.db2.gz FHNIVYMYGQDMBR-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM CC(C)Cn1cc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)cn1 ZINC000438765727 1022981709 /nfs/dbraw/zinc/98/17/09/1022981709.db2.gz JSPDTTYRYBUZMR-UHFFFAOYSA-N -1 0 348.255 3.647 20 0 EHADRM Cc1cccc([C@@H](NCc2nc3c(s2)C[C@H](C)CC3)C(=O)[O-])c1C ZINC000426729634 1022998374 /nfs/dbraw/zinc/99/83/74/1022998374.db2.gz FLIRRQLQYHMJRW-ADLMAVQZSA-N -1 0 344.480 3.800 20 0 EHADRM Cc1cccc([C@H](NCc2cc(-c3ccccc3)n[nH]2)C(=O)[O-])c1C ZINC000426729486 1023000484 /nfs/dbraw/zinc/00/04/84/1023000484.db2.gz DCYVRTMGWVVWMH-IBGZPJMESA-N -1 0 335.407 3.609 20 0 EHADRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C[C@H]1CCCC(C)(C)C1 ZINC000161768580 1023024458 /nfs/dbraw/zinc/02/44/58/1023024458.db2.gz JAXIXVCQVBTYEA-GFCCVEGCSA-N -1 0 347.484 3.550 20 0 EHADRM C[C@@H]1CCc2nc(CN[C@@H](CC(=O)[O-])c3ccc(F)cc3)sc2C1 ZINC000426766873 1023044875 /nfs/dbraw/zinc/04/48/75/1023044875.db2.gz HSTDBBIATSKXDT-ABAIWWIYSA-N -1 0 348.443 3.713 20 0 EHADRM O=C([O-])[C@@H](NCc1cnc(-c2ccsc2)s1)c1cccs1 ZINC000426808404 1023059279 /nfs/dbraw/zinc/05/92/79/1023059279.db2.gz RDWNJQRXBCBNKJ-LBPRGKRZSA-N -1 0 336.463 3.849 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)Cc2cccc(C(=O)[O-])c2)c1C ZINC000262063822 1023088067 /nfs/dbraw/zinc/08/80/67/1023088067.db2.gz BZSSARHZQVJKRY-IBGZPJMESA-N -1 0 337.419 3.908 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N[C@@H](C)Cc2ccsc2)s1 ZINC000518183814 1023111309 /nfs/dbraw/zinc/11/13/09/1023111309.db2.gz WEENSMSOAWYZIN-NSHDSACASA-N -1 0 338.502 3.507 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)C(=O)[O-] ZINC000346017624 1023125009 /nfs/dbraw/zinc/12/50/09/1023125009.db2.gz POLMFZVUYSGONH-UHLUBPPHSA-N -1 0 343.210 3.704 20 0 EHADRM C[C@@H](C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-])c1cc2ccccc2o1 ZINC000346018811 1023150276 /nfs/dbraw/zinc/15/02/76/1023150276.db2.gz BTRMGMCHUBPLKR-YJYMSZOUSA-N -1 0 349.386 3.747 20 0 EHADRM Cc1cnc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c([O-])c1 ZINC000426999565 1023160615 /nfs/dbraw/zinc/16/06/15/1023160615.db2.gz XMGPUMJRSRJGHE-UHFFFAOYSA-N -1 0 344.374 3.891 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2noc3ccccc23)ccc1OC(C)C ZINC000438982305 1023191214 /nfs/dbraw/zinc/19/12/14/1023191214.db2.gz FDZUKZZNXPVMGZ-UHFFFAOYSA-N -1 0 346.408 3.724 20 0 EHADRM CC[C@H](C(=O)[N-]S(=O)(=O)c1cccc(C(C)=O)c1)c1ccccc1 ZINC000048559623 1023221629 /nfs/dbraw/zinc/22/16/29/1023221629.db2.gz MQPWBCXZDHGMOC-KRWDZBQOSA-N -1 0 345.420 3.728 20 0 EHADRM CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC000507282809 1023229935 /nfs/dbraw/zinc/22/99/35/1023229935.db2.gz JVPSHGIZLZSXRL-FRRDWIJNSA-N -1 0 344.238 3.542 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cn(CC(C)C)nc2C(F)F)cc1 ZINC000341750648 1023258218 /nfs/dbraw/zinc/25/82/18/1023258218.db2.gz SWUSYTVGWKVLNM-UHFFFAOYSA-N -1 0 343.399 3.586 20 0 EHADRM CCCCc1oc2ccccc2c1CN(C)C(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC000507350648 1023260799 /nfs/dbraw/zinc/26/07/99/1023260799.db2.gz VJDDVFOHWPXONF-HUUCEWRRSA-N -1 0 343.423 3.845 20 0 EHADRM C[C@@H](Sc1ccccc1)C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000346024933 1023279737 /nfs/dbraw/zinc/27/97/37/1023279737.db2.gz JTTSGRQBPFMGTD-RHSMWYFYSA-N -1 0 343.448 3.890 20 0 EHADRM Cc1ccc(C(C)(C)C)cc1S([O-])=CC(=O)NCc1ccccc1 ZINC000341787927 1023313489 /nfs/dbraw/zinc/31/34/89/1023313489.db2.gz IKTLOMZPQOAXJX-DEOSSOPVSA-N -1 0 343.492 3.717 20 0 EHADRM Cc1ccc(-c2cccnc2)cc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000684559486 1023333561 /nfs/dbraw/zinc/33/35/61/1023333561.db2.gz XKBVCVAAWDOFKE-IAGOWNOFSA-N -1 0 336.391 3.663 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)s1 ZINC000431152062 1023346793 /nfs/dbraw/zinc/34/67/93/1023346793.db2.gz ULDAFTPMOKNVAI-UHFFFAOYSA-N -1 0 325.455 3.953 20 0 EHADRM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1ccccc1F ZINC000016122669 1023360170 /nfs/dbraw/zinc/36/01/70/1023360170.db2.gz WMBGDNLVEBQBJE-UHFFFAOYSA-N -1 0 334.416 3.535 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)s1 ZINC000431163590 1023363525 /nfs/dbraw/zinc/36/35/25/1023363525.db2.gz OXONLNRFDIYXFW-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM [O-]c1ccc(-c2nc(-c3cccnc3N3CCCC3)no2)cc1Cl ZINC000445208780 1023363703 /nfs/dbraw/zinc/36/37/03/1023363703.db2.gz FDLKOXONSXFBKU-UHFFFAOYSA-N -1 0 342.786 3.758 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2-n2nccc2C)s1 ZINC000431174169 1023380247 /nfs/dbraw/zinc/38/02/47/1023380247.db2.gz ZTDYSJRIWQGNKU-UHFFFAOYSA-N -1 0 347.465 3.660 20 0 EHADRM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2OC(C)C)c1 ZINC000132583584 1023430337 /nfs/dbraw/zinc/43/03/37/1023430337.db2.gz VMVOLLUBLGQDMN-UHFFFAOYSA-N -1 0 347.436 3.867 20 0 EHADRM COc1cccc(-c2nc(=NC(=O)c3ccc(Cl)cc3)s[n-]2)c1 ZINC000476348150 1033135323 /nfs/dbraw/zinc/13/53/23/1033135323.db2.gz KPXOBZXSSYDUFL-UHFFFAOYSA-N -1 0 345.811 3.541 20 0 EHADRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)CC1CCC(c2ccccc2)CC1 ZINC000785086147 1023862201 /nfs/dbraw/zinc/86/22/01/1023862201.db2.gz REWNBMAGKREDBE-HPUBIQBYSA-N -1 0 337.485 3.595 20 0 EHADRM Cc1cc(=NC(=O)c2cc(Cl)ccc2OC2CCCC2)[n-]nc1C ZINC000427587944 1023955887 /nfs/dbraw/zinc/95/58/87/1023955887.db2.gz QQPMFRIUWYTBPC-UHFFFAOYSA-N -1 0 345.830 3.742 20 0 EHADRM Cc1oc(CNC(=O)CC2CCC(C(F)(F)F)CC2)cc1C(=O)[O-] ZINC000190922807 1023995623 /nfs/dbraw/zinc/99/56/23/1023995623.db2.gz TXWLPNDDFMTBKJ-UHFFFAOYSA-N -1 0 347.333 3.661 20 0 EHADRM c1ccc(-c2nc(=NCc3cccc(-c4cccnc4)c3)[n-]o2)cc1 ZINC000475019841 1024017882 /nfs/dbraw/zinc/01/78/82/1024017882.db2.gz UYJZHDQESFFYCN-UHFFFAOYSA-N -1 0 328.375 3.833 20 0 EHADRM Cc1cccc([C@@H](NCc2cnc(C(F)(F)F)s2)C(=O)[O-])c1C ZINC000417560972 1024040085 /nfs/dbraw/zinc/04/00/85/1024040085.db2.gz KTZSLZHXEYUCLC-GFCCVEGCSA-N -1 0 344.358 3.694 20 0 EHADRM O=C([O-])Cc1ccc(-c2ccccc2OC[C@@H]2CCOC2)cc1F ZINC000657203717 1024083381 /nfs/dbraw/zinc/08/33/81/1024083381.db2.gz SWSYQLANKVGNHT-CYBMUJFWSA-N -1 0 330.355 3.535 20 0 EHADRM COc1c(-c2ccc(NC(=O)C(C)(C)C)nc2)ccc(F)c1C(=O)[O-] ZINC000657205090 1024085295 /nfs/dbraw/zinc/08/52/95/1024085295.db2.gz YIZOFFXPCQTFCC-UHFFFAOYSA-N -1 0 346.358 3.579 20 0 EHADRM C[C@H](CC(=O)[O-])n1cc(-c2ccc(OC[C@@H]3CCCCO3)cc2)cn1 ZINC000657204147 1024085890 /nfs/dbraw/zinc/08/58/90/1024085890.db2.gz VSJIMMJTRXVMHA-KDOFPFPSSA-N -1 0 344.411 3.534 20 0 EHADRM COc1cc(OC(F)F)ccc1-c1nn(C(C)(C)C)cc1C(=O)[O-] ZINC000657205805 1024094520 /nfs/dbraw/zinc/09/45/20/1024094520.db2.gz QOMOJVSWNYGGRB-UHFFFAOYSA-N -1 0 340.326 3.613 20 0 EHADRM Cc1cc(-c2ccc(CC(=O)[O-])c(F)c2)ccc1O[C@H]1CCOC1 ZINC000657204815 1024095861 /nfs/dbraw/zinc/09/58/61/1024095861.db2.gz OLXYPMFYCCTEAO-INIZCTEOSA-N -1 0 330.355 3.596 20 0 EHADRM Cn1nc(C(F)(F)F)cc1-c1ccc(OCCCCC(=O)[O-])cc1 ZINC000657205871 1024096478 /nfs/dbraw/zinc/09/64/78/1024096478.db2.gz NGLCGUHPJBAHOF-UHFFFAOYSA-N -1 0 342.317 3.740 20 0 EHADRM O=C([O-])Cc1c(Cl)cccc1-c1ccc(O[C@@H]2CCOC2)cc1 ZINC000657204418 1024103537 /nfs/dbraw/zinc/10/35/37/1024103537.db2.gz LGYLBWNSALGMFO-CQSZACIVSA-N -1 0 332.783 3.802 20 0 EHADRM O=C(NCCC[C@H]1CCCC[C@H]1O)c1c([O-])cc(Cl)cc1Cl ZINC000134503476 1024124612 /nfs/dbraw/zinc/12/46/12/1024124612.db2.gz BAETXXSVYQVWSL-ZWNOBZJWSA-N -1 0 346.254 3.760 20 0 EHADRM O=C([O-])C1(c2cc(F)cc(-c3ccc(C4(CO)CC4)cc3)c2)CC1 ZINC000657206785 1024128703 /nfs/dbraw/zinc/12/87/03/1024128703.db2.gz WIEYYMPFIIDMGI-UHFFFAOYSA-N -1 0 326.367 3.633 20 0 EHADRM COCCCOc1ccc(-c2nc(C(=O)[O-])c(C3CC3)s2)cc1 ZINC000657207355 1024130989 /nfs/dbraw/zinc/13/09/89/1024130989.db2.gz OJLCHFYYLCQNAY-UHFFFAOYSA-N -1 0 333.409 3.801 20 0 EHADRM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1cnc2ccccc2c1 ZINC000349778113 1024148664 /nfs/dbraw/zinc/14/86/64/1024148664.db2.gz PJYRLWLWJKVZIW-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM CC[C@H](C)[C@@H]([N-]S(=O)(=O)C[C@@H](C)c1ccccc1)C(F)(F)F ZINC000443939572 1024153335 /nfs/dbraw/zinc/15/33/35/1024153335.db2.gz YIDQFRUPAGZNBU-OUCADQQQSA-N -1 0 337.407 3.687 20 0 EHADRM CC(C)=CCSC[C@H](NCc1cnc(C2CCC2)s1)C(=O)[O-] ZINC000417621017 1024193261 /nfs/dbraw/zinc/19/32/61/1024193261.db2.gz DTIWLMHXECCFED-AWEZNQCLSA-N -1 0 340.514 3.653 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C1CCC(C(C)(C)O)CC1 ZINC000909512184 1024194147 /nfs/dbraw/zinc/19/41/47/1024194147.db2.gz CACRWULNOOSAJV-UHFFFAOYSA-N -1 0 333.428 3.517 20 0 EHADRM Cc1noc(C)c1C(C)(C)C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000909512510 1024208449 /nfs/dbraw/zinc/20/84/49/1024208449.db2.gz FRIQBMGXXWXXCN-UHFFFAOYSA-N -1 0 330.384 3.523 20 0 EHADRM CCC[C@](C)(NC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)[O-] ZINC000262203066 1024231201 /nfs/dbraw/zinc/23/12/01/1024231201.db2.gz JRQHNYUFGIUDIY-SFHVURJKSA-N -1 0 345.420 3.681 20 0 EHADRM COc1ccc2c(CC(=O)Nc3ccc(F)c(F)c3[O-])coc2c1C ZINC001625992109 1033195065 /nfs/dbraw/zinc/19/50/65/1033195065.db2.gz MBOQMAJHIFSHDD-UHFFFAOYSA-N -1 0 347.317 3.915 20 0 EHADRM COc1ccc(C(F)(F)C(=O)Nc2cccc(Cl)c2[O-])cc1 ZINC000178987368 1024266192 /nfs/dbraw/zinc/26/61/92/1024266192.db2.gz WDAVVTXTWNYRAK-UHFFFAOYSA-N -1 0 327.714 3.785 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2cnc(C(C)(C)C)s2)cc1)C(=O)[O-] ZINC000191399835 1024297577 /nfs/dbraw/zinc/29/75/77/1024297577.db2.gz VTNRFERXCKEEIH-LLVKDONJSA-N -1 0 346.452 3.956 20 0 EHADRM CC(C)(C)c1nc(CN[C@H](CCc2ccccc2)C(=O)[O-])cs1 ZINC000277258107 1024362688 /nfs/dbraw/zinc/36/26/88/1024362688.db2.gz KLHWSINXYAXUAO-OAHLLOKOSA-N -1 0 332.469 3.616 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnc(C(C)(C)C)nc2)c(Cl)c1 ZINC000063850280 1024373962 /nfs/dbraw/zinc/37/39/62/1024373962.db2.gz VUVUHHAYIOSXSP-UHFFFAOYSA-N -1 0 339.848 3.537 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])[NH2+]Cc2ccccc2Cl)cc1OC ZINC000277278654 1024426151 /nfs/dbraw/zinc/42/61/51/1024426151.db2.gz LWLWBPABRWGBLU-HNNXBMFYSA-N -1 0 349.814 3.663 20 0 EHADRM CCC(CC)n1ccc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)n1 ZINC000909520387 1024445708 /nfs/dbraw/zinc/44/57/08/1024445708.db2.gz POPOJTASQJHALG-CYBMUJFWSA-N -1 0 343.427 3.760 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000425237534 1024490984 /nfs/dbraw/zinc/49/09/84/1024490984.db2.gz HLVYICARZUKXQN-LPHOPBHVSA-N -1 0 339.435 3.548 20 0 EHADRM Cc1c(C(=O)[O-])cnn1-c1cccc(NC(=O)[C@@H]2CCCC[C@H]2C)c1 ZINC000425247649 1024505851 /nfs/dbraw/zinc/50/58/51/1024505851.db2.gz YMENWKBNMDOHKE-MLGOLLRUSA-N -1 0 341.411 3.644 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)[nH]n2)s1 ZINC000434970199 1024532133 /nfs/dbraw/zinc/53/21/33/1024532133.db2.gz AMGUAFDDJWDJRC-UHFFFAOYSA-N -1 0 333.438 3.501 20 0 EHADRM Cc1ccc(C2CC2)c(C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1 ZINC000425258685 1024534241 /nfs/dbraw/zinc/53/42/41/1024534241.db2.gz RJJFNWOMMLKYLB-UXHICEINSA-N -1 0 349.430 3.813 20 0 EHADRM O=S(=O)([N-]c1ccc2n[nH]cc2c1)c1ccc(Cl)cc1Cl ZINC000033892431 1024554164 /nfs/dbraw/zinc/55/41/64/1024554164.db2.gz DWWWBUNHZZMTJW-UHFFFAOYSA-N -1 0 342.207 3.671 20 0 EHADRM C[C@H](CC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC000262131433 1024573945 /nfs/dbraw/zinc/57/39/45/1024573945.db2.gz KTMHBTVQNQMAJX-ACJLOTCBSA-N -1 0 341.382 3.530 20 0 EHADRM O=S(=O)([N-]c1noc2ccc(Cl)cc21)c1ccc(Cl)s1 ZINC000427637473 1024596607 /nfs/dbraw/zinc/59/66/07/1024596607.db2.gz GRLGNLDQTHMTHU-UHFFFAOYSA-N -1 0 349.220 3.997 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)C[C@H]2CCC3(CCC3)CO2)cc1)C(=O)[O-] ZINC000909525197 1024662429 /nfs/dbraw/zinc/66/24/29/1024662429.db2.gz WFPTWLKDCPHXNG-RHSMWYFYSA-N -1 0 345.439 3.628 20 0 EHADRM O=S(=O)([N-]c1cc(Cc2ccccc2)ccc1O)c1ccsc1 ZINC000507889557 1024753182 /nfs/dbraw/zinc/75/31/82/1024753182.db2.gz PDROIZRVFVPFJA-UHFFFAOYSA-N -1 0 345.445 3.845 20 0 EHADRM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1nc(C(C)(C)C)co1 ZINC000427780314 1024791229 /nfs/dbraw/zinc/79/12/29/1024791229.db2.gz NHKKCIBMZHTKDD-UHFFFAOYSA-N -1 0 345.424 3.630 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccccc2OCC(F)F)cc1 ZINC000474388476 1024868256 /nfs/dbraw/zinc/86/82/56/1024868256.db2.gz FTKFCDZQFRMLPV-UHFFFAOYSA-N -1 0 341.379 3.694 20 0 EHADRM CCC(CC)(NC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000684712314 1024881491 /nfs/dbraw/zinc/88/14/91/1024881491.db2.gz IPEXMKNGWJPFBJ-JTQLQIEISA-N -1 0 346.349 3.709 20 0 EHADRM O=C([O-])CC1(CNC(=O)Cc2cccc(C(F)F)c2)CCCCC1 ZINC000909463415 1024893413 /nfs/dbraw/zinc/89/34/13/1024893413.db2.gz FMECKWWJVPOAPO-UHFFFAOYSA-N -1 0 339.382 3.708 20 0 EHADRM Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)CC(C)(C)CC(=O)[O-] ZINC000435418650 1024906737 /nfs/dbraw/zinc/90/67/37/1024906737.db2.gz QYOHBYUSVLAFAZ-ZDUSSCGKSA-N -1 0 345.361 3.996 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2ccn(C(C)C)n2)cc1Cl ZINC000281322352 1024923249 /nfs/dbraw/zinc/92/32/49/1024923249.db2.gz ZYAVXKJXQISMCB-UHFFFAOYSA-N -1 0 345.877 3.640 20 0 EHADRM O=S(=O)([N-]c1cc(C2CCCC2)[nH]n1)c1cccc(Cl)c1F ZINC000474419663 1024924626 /nfs/dbraw/zinc/92/46/26/1024924626.db2.gz CALITGNVSDUDNI-UHFFFAOYSA-N -1 0 343.811 3.661 20 0 EHADRM Cc1oc2ccccc2c1CC(=O)NCCCCCCCC(=O)[O-] ZINC000909465960 1024930278 /nfs/dbraw/zinc/93/02/78/1024930278.db2.gz GKZDPPWWDSQHEX-UHFFFAOYSA-N -1 0 331.412 3.825 20 0 EHADRM O=S(=O)([N-]c1nc(C2CCC2)cs1)c1cnc2ccccc2c1 ZINC000515001624 1024954851 /nfs/dbraw/zinc/95/48/51/1024954851.db2.gz VHDPOVHXWBZHQH-UHFFFAOYSA-N -1 0 345.449 3.760 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cc(C3CCCCCC3)[nH]n2)cc1 ZINC000474432729 1024960208 /nfs/dbraw/zinc/96/02/08/1024960208.db2.gz NNIPWUBYFOCERO-UHFFFAOYSA-N -1 0 349.456 3.657 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)[C@@H]3CC3(C)C)n2)cc1 ZINC000428082442 1024962890 /nfs/dbraw/zinc/96/28/90/1024962890.db2.gz ZQJRCJOYFNHQAQ-MRXNPFEDSA-N -1 0 327.428 3.572 20 0 EHADRM O=S(=O)([N-]c1cc(-c2cccs2)[nH]n1)c1ccc(Cl)cc1 ZINC000346633669 1024974782 /nfs/dbraw/zinc/97/47/82/1024974782.db2.gz ZDLDQKQRJMFPQE-UHFFFAOYSA-N -1 0 339.829 3.592 20 0 EHADRM CCCCN(C(=O)c1cc(Br)cc(C(=O)[O-])c1)C1CC1 ZINC000262643676 1033253562 /nfs/dbraw/zinc/25/35/62/1033253562.db2.gz HXOGAHWTGPDBGM-UHFFFAOYSA-N -1 0 340.217 3.552 20 0 EHADRM Fc1cccc([C@H]2C[C@H](N=c3[n-]nc(-c4ccccn4)s3)C2)c1 ZINC000435599759 1025013955 /nfs/dbraw/zinc/01/39/55/1025013955.db2.gz YKBBALDAAZPSRX-MQMHXKEQSA-N -1 0 326.400 3.519 20 0 EHADRM CC(C)([N-]C(=O)C(F)(F)C(F)F)c1ccc(Br)cc1 ZINC000226606285 1033257167 /nfs/dbraw/zinc/25/71/67/1033257167.db2.gz PYTPCRDBQOLAOT-UHFFFAOYSA-N -1 0 342.130 3.701 20 0 EHADRM Cc1sc(C(=O)NC[C@@H](C)CC(=O)[O-])cc1-c1ccc(F)cc1 ZINC000262155944 1025093617 /nfs/dbraw/zinc/09/36/17/1025093617.db2.gz CFKJLVITVDCLHL-JTQLQIEISA-N -1 0 335.400 3.703 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(F)ccc2Br)cc1 ZINC000013259834 1025101124 /nfs/dbraw/zinc/10/11/24/1025101124.db2.gz FDJRGGJEZXFAMS-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM Cc1ccc([C@@H](C)CNC(=O)N(CC(=O)[O-])C2CCCCC2)cc1 ZINC000684736506 1025120898 /nfs/dbraw/zinc/12/08/98/1025120898.db2.gz SKYDBPNABCONAT-HNNXBMFYSA-N -1 0 332.444 3.527 20 0 EHADRM Brc1cccc(Oc2ccc(CN=c3[n-]nco3)cc2)c1 ZINC000508458155 1025138927 /nfs/dbraw/zinc/13/89/27/1025138927.db2.gz MOFZORARZGTTJJ-UHFFFAOYSA-N -1 0 346.184 3.658 20 0 EHADRM O=C(Nc1nnc(-c2cc3ccccc3o2)s1)c1ccc(F)cn1 ZINC000191845506 1025161194 /nfs/dbraw/zinc/16/11/94/1025161194.db2.gz ZYMDMCXVHDDQOH-UHFFFAOYSA-N -1 0 340.339 3.738 20 0 EHADRM Cc1cc(=O)[nH]c2cc(C(=O)Nc3cccc(Cl)c3[O-])ccc12 ZINC000348532720 1025189038 /nfs/dbraw/zinc/18/90/38/1025189038.db2.gz ILABFLFFYAYSRS-UHFFFAOYSA-N -1 0 328.755 3.860 20 0 EHADRM Cc1nc([C@H](C)NC(=O)C[C@@H](C)C2CCCCC2)sc1C(=O)[O-] ZINC000237364862 1025190564 /nfs/dbraw/zinc/19/05/64/1025190564.db2.gz KUGNBDYBAORTKQ-PWSUYJOCSA-N -1 0 338.473 3.933 20 0 EHADRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)c1 ZINC000444052021 1025203690 /nfs/dbraw/zinc/20/36/90/1025203690.db2.gz VXCKSXOKKQVQRH-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cn1 ZINC000444055833 1025212183 /nfs/dbraw/zinc/21/21/83/1025212183.db2.gz IBALBJAGMFNHGQ-UHFFFAOYSA-N -1 0 349.264 3.911 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1cc(C)c(Cl)c(C)c1 ZINC000442218089 1025218018 /nfs/dbraw/zinc/21/80/18/1025218018.db2.gz KWPBCIYFEJRALZ-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM Cc1nc(-c2ccc(CCN=c3[n-]c(C(C)C)no3)cc2)cs1 ZINC000346865834 1025239803 /nfs/dbraw/zinc/23/98/03/1025239803.db2.gz ODDFWMFVWNZQAP-UHFFFAOYSA-N -1 0 328.441 3.701 20 0 EHADRM COCC1(NC(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])CC1 ZINC000515443858 1025240250 /nfs/dbraw/zinc/24/02/50/1025240250.db2.gz TXKGDQCCMGBTSC-UHFFFAOYSA-N -1 0 331.799 3.621 20 0 EHADRM O=C(C[C@@H](c1ncc[nH]1)c1ccccc1)Nc1ccc(F)c(F)c1[O-] ZINC001625992516 1033269693 /nfs/dbraw/zinc/26/96/93/1033269693.db2.gz UTKGYVOFYCLMAR-GFCCVEGCSA-N -1 0 343.333 3.554 20 0 EHADRM CC[C@@H](CCO)N=c1[n-]nc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000444070689 1025300609 /nfs/dbraw/zinc/30/06/09/1025300609.db2.gz KKQMKIDQRVEWRO-NSHDSACASA-N -1 0 332.256 3.507 20 0 EHADRM Cc1sc([N-]S(=O)(=O)CCCCF)nc1-c1ccc(C)cc1 ZINC000342439759 1025492124 /nfs/dbraw/zinc/49/21/24/1025492124.db2.gz AZPWRCPMTWELGU-UHFFFAOYSA-N -1 0 342.461 3.918 20 0 EHADRM Cc1ccnc([C@@H]2CCN(C(=O)c3cc(F)cc(Cl)c3[O-])C2)c1 ZINC000582190743 1025553443 /nfs/dbraw/zinc/55/34/43/1025553443.db2.gz CHWSXODIXAYYJR-LLVKDONJSA-N -1 0 334.778 3.518 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2scnc2C(C)C)c(Cl)c1 ZINC000451103506 1025565359 /nfs/dbraw/zinc/56/53/59/1025565359.db2.gz OIWKADOEBPNTRZ-UHFFFAOYSA-N -1 0 346.861 3.729 20 0 EHADRM CC(C)(C)c1cccc([N-]S(=O)(=O)c2ccc(F)cc2F)c1O ZINC000479545438 1025611115 /nfs/dbraw/zinc/61/11/15/1025611115.db2.gz SJHOJCUJGHXGRP-UHFFFAOYSA-N -1 0 341.379 3.769 20 0 EHADRM CCCC[C@@H](NC(=O)C(C)(C)Cc1cccc(Cl)c1)C(=O)[O-] ZINC000347254821 1025736798 /nfs/dbraw/zinc/73/67/98/1025736798.db2.gz CAUKUXZKJHQJPO-CQSZACIVSA-N -1 0 325.836 3.668 20 0 EHADRM CCCC[C@H](NC(=O)[C@H](CC)Oc1ccccc1C(C)C)C(=O)[O-] ZINC000347268413 1025773167 /nfs/dbraw/zinc/77/31/67/1025773167.db2.gz QFHDVAOKOMMWLV-HOTGVXAUSA-N -1 0 335.444 3.727 20 0 EHADRM CCOc1ccncc1S(=O)(=O)[N-]c1ccc2oc(C)c(C)c2c1 ZINC000436478707 1025775006 /nfs/dbraw/zinc/77/50/06/1025775006.db2.gz RMNVXQIEZRIAAO-UHFFFAOYSA-N -1 0 346.408 3.644 20 0 EHADRM COc1ccc(C2CCN(C(=O)c3c([O-])cccc3F)CC2)cc1 ZINC000436509807 1025801425 /nfs/dbraw/zinc/80/14/25/1025801425.db2.gz BXULADDHNNXWTH-UHFFFAOYSA-N -1 0 329.371 3.560 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2ccc(Br)o2)cc1F ZINC000582308589 1025807416 /nfs/dbraw/zinc/80/74/16/1025807416.db2.gz LMQOJNGSLPWZGW-UHFFFAOYSA-N -1 0 348.193 3.544 20 0 EHADRM CN(C[C@H]1CCCCO1)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436551270 1025857133 /nfs/dbraw/zinc/85/71/33/1025857133.db2.gz YAZXBTGBUMEFHM-GFCCVEGCSA-N -1 0 333.815 3.840 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)C[C@@H]1CCCC[C@H]1C ZINC000522012541 1025872343 /nfs/dbraw/zinc/87/23/43/1025872343.db2.gz PGSORSYOHZCVFP-YPMHNXCESA-N -1 0 328.416 3.641 20 0 EHADRM CCc1ccc(-c2nc(CN3CCCC[C@@H]3C(=O)[O-])cs2)cc1 ZINC000158381359 1025883381 /nfs/dbraw/zinc/88/33/81/1025883381.db2.gz VJQWBUUCVOWVSH-MRXNPFEDSA-N -1 0 330.453 3.812 20 0 EHADRM O=C(c1cc(-c2ccccc2)cc(Cl)c1[O-])N1CCSCC1 ZINC000436562030 1025891410 /nfs/dbraw/zinc/89/14/10/1025891410.db2.gz IHANTNOXHPLXKT-UHFFFAOYSA-N -1 0 333.840 3.902 20 0 EHADRM O=C(NCc1cccc(CO)c1)c1cc(Cl)c2ccccc2c1[O-] ZINC000436582700 1025921386 /nfs/dbraw/zinc/92/13/86/1025921386.db2.gz IYXLRPMKLLZMSP-UHFFFAOYSA-N -1 0 341.794 3.621 20 0 EHADRM CCc1cnc(CN=c2[n-]c(-c3cc(Cl)cc(Cl)c3)no2)o1 ZINC000530486710 1025925137 /nfs/dbraw/zinc/92/51/37/1025925137.db2.gz WXKXUPRTJLLXAO-UHFFFAOYSA-N -1 0 339.182 3.628 20 0 EHADRM Cc1ccc(C(=O)N(Cc2ccccc2)CC2(O)CCCC2)c(O)c1 ZINC000436588410 1025926576 /nfs/dbraw/zinc/92/65/76/1025926576.db2.gz SXQPOAXWCWQHDP-UHFFFAOYSA-N -1 0 339.435 3.648 20 0 EHADRM Cc1c(NC(=O)c2ccc(Cl)cc2[O-])cnn1-c1ccccc1F ZINC000436601512 1025932609 /nfs/dbraw/zinc/93/26/09/1025932609.db2.gz IDLSONPYWKBPBB-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436626326 1025954153 /nfs/dbraw/zinc/95/41/53/1025954153.db2.gz HECFSEYKEMOGRK-HTRCEHHLSA-N -1 0 325.689 3.598 20 0 EHADRM C[C@]1(CCc2ccccc2)CCN(C(=O)c2ccc(O)cc2O)C1 ZINC000436628154 1025956694 /nfs/dbraw/zinc/95/66/94/1025956694.db2.gz XCJBIGBOARHZJG-FQEVSTJZSA-N -1 0 325.408 3.583 20 0 EHADRM Cn1ncc2c1CCC[C@H]2N=c1[n-]nc(-c2ccccc2Cl)s1 ZINC000329523250 1025957529 /nfs/dbraw/zinc/95/75/29/1025957529.db2.gz PVYYOJOOVQVWFK-CYBMUJFWSA-N -1 0 345.859 3.503 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)Nc2ccc(O)c(C)c2)s[n-]1 ZINC000443364405 1025958048 /nfs/dbraw/zinc/95/80/48/1025958048.db2.gz ADPGKPWCYLLGDT-UHFFFAOYSA-N -1 0 346.437 3.655 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2ccc([C@H]3CCCOC3)cc2)c1 ZINC000436632187 1025962112 /nfs/dbraw/zinc/96/21/12/1025962112.db2.gz VSQAOWOIWBOJMZ-KRWDZBQOSA-N -1 0 339.391 3.741 20 0 EHADRM CN(C[C@@H]1OCCc2ccccc21)C(=O)c1cc2ccccc2cc1O ZINC000436637033 1025965415 /nfs/dbraw/zinc/96/54/15/1025965415.db2.gz YRIIZBAHDBILQS-NRFANRHFSA-N -1 0 347.414 3.931 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N(Cc1ccccc1)CC(F)F ZINC000436640041 1025969982 /nfs/dbraw/zinc/96/99/82/1025969982.db2.gz STOCMOKQDGKSOJ-UHFFFAOYSA-N -1 0 327.277 3.578 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H](C)Oc2ccc(C)cc2)c1 ZINC000436650669 1025978417 /nfs/dbraw/zinc/97/84/17/1025978417.db2.gz ZQLDSRJPSIVKLB-ZDUSSCGKSA-N -1 0 327.380 3.699 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2csc([C@@H]3CCCO3)n2)c1 ZINC000436651897 1025978960 /nfs/dbraw/zinc/97/89/60/1025978960.db2.gz INXIOZPWBJSWDY-HNNXBMFYSA-N -1 0 346.408 3.545 20 0 EHADRM CCOc1ccc(CN(C)C(=O)c2cc(F)cc(Cl)c2[O-])cc1 ZINC000436640592 1025988009 /nfs/dbraw/zinc/98/80/09/1025988009.db2.gz YAYJAQLVPYTJFG-UHFFFAOYSA-N -1 0 337.778 3.856 20 0 EHADRM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccsc3)c2)n1 ZINC000443410841 1025991456 /nfs/dbraw/zinc/99/14/56/1025991456.db2.gz OXTUKXOYIMKGOO-UHFFFAOYSA-N -1 0 336.463 3.981 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H](c2ccccc2)N(C)CC)c1 ZINC000436646331 1025997343 /nfs/dbraw/zinc/99/73/43/1025997343.db2.gz OBRBFEFPFCNAIN-IBGZPJMESA-N -1 0 340.423 3.616 20 0 EHADRM CCCCOc1ccc([C@@H](C)N=c2[n-]c(C(C)C)no2)cc1OC ZINC000522966711 1026009598 /nfs/dbraw/zinc/00/95/98/1026009598.db2.gz SQWNPTHIHOWELK-CYBMUJFWSA-N -1 0 333.432 3.976 20 0 EHADRM Cn1nc(C(C)(C)C)cc1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000436669878 1026009991 /nfs/dbraw/zinc/00/99/91/1026009991.db2.gz CJHXGHFILSKCLJ-UHFFFAOYSA-N -1 0 342.226 3.982 20 0 EHADRM COc1c(C)cc(S(=O)(=O)[N-]c2ncccc2C(C)C)cc1C ZINC000443420496 1026015679 /nfs/dbraw/zinc/01/56/79/1026015679.db2.gz UPGJFGBIMNUMCB-UHFFFAOYSA-N -1 0 334.441 3.631 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)COc2c(C)cc(C)cc2C)c1 ZINC000436680798 1026030035 /nfs/dbraw/zinc/03/00/35/1026030035.db2.gz PHZRUVQKRMZMCN-UHFFFAOYSA-N -1 0 327.380 3.538 20 0 EHADRM CO[C@@H](C)c1nc(=NC(=O)[C@@H](CCc2ccccc2)C(C)C)s[n-]1 ZINC000451501379 1026046361 /nfs/dbraw/zinc/04/63/61/1026046361.db2.gz PICWKDSIBMSNHG-ZFWWWQNUSA-N -1 0 347.484 3.511 20 0 EHADRM CCOc1ccc(CNC(=O)c2cc(F)c([O-])c(F)c2)cc1Cl ZINC000436693903 1026052422 /nfs/dbraw/zinc/05/24/22/1026052422.db2.gz XCTHJFWPIXSLAB-UHFFFAOYSA-N -1 0 341.741 3.653 20 0 EHADRM C[C@@H](NC(=O)N=c1[n-]nc(C(C)(C)C)s1)c1ccccc1Cl ZINC000436694683 1026053125 /nfs/dbraw/zinc/05/31/25/1026053125.db2.gz HYKHFTVHGDMJQS-SECBINFHSA-N -1 0 338.864 3.794 20 0 EHADRM CC[C@H](C)CS(=O)(=O)[N-][C@@H](c1c[nH]c2ccccc12)C(F)(F)F ZINC000443451287 1026056942 /nfs/dbraw/zinc/05/69/42/1026056942.db2.gz GWTHSKBGUTUDDS-HZMBPMFUSA-N -1 0 348.390 3.737 20 0 EHADRM CO[C@H](C)CN(C)C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436706781 1026070816 /nfs/dbraw/zinc/07/08/16/1026070816.db2.gz DEBJVGTWQYKONL-GFCCVEGCSA-N -1 0 333.815 3.820 20 0 EHADRM O=c1[n-]c([C@@H]2CCCCN2CCc2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000329610913 1026073889 /nfs/dbraw/zinc/07/38/89/1026073889.db2.gz RFGFEAMMAVKIAK-ZDUSSCGKSA-N -1 0 341.242 3.587 20 0 EHADRM CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000436716081 1026084212 /nfs/dbraw/zinc/08/42/12/1026084212.db2.gz RTQHKASSVNNWII-HWPZZCPQSA-N -1 0 337.778 3.691 20 0 EHADRM C[C@H](NC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-])c1cn[nH]c1 ZINC000436722430 1026096980 /nfs/dbraw/zinc/09/69/80/1026096980.db2.gz NHMQPGHHGRKKPP-NSHDSACASA-N -1 0 341.798 3.927 20 0 EHADRM CCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(O)cc1O ZINC000436750235 1026140090 /nfs/dbraw/zinc/14/00/90/1026140090.db2.gz FHZQKTQINLEXJW-UHFFFAOYSA-N -1 0 341.285 3.768 20 0 EHADRM O=S(=O)([N-]C[C@H]1CCCCC1(F)F)c1c(F)cccc1Cl ZINC000451637853 1026193220 /nfs/dbraw/zinc/19/32/20/1026193220.db2.gz BWWDFJZHRJXWIM-SECBINFHSA-N -1 0 341.782 3.583 20 0 EHADRM CC(C)(CC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-])c1ccccc1 ZINC000262434524 1026237537 /nfs/dbraw/zinc/23/75/37/1026237537.db2.gz RZWABXKJPPZPCW-OIISXLGYSA-N -1 0 329.440 3.599 20 0 EHADRM CCOc1cccc2c1OCC(C(=O)Nc1cccc(Cl)c1[O-])=C2 ZINC000530779052 1026298652 /nfs/dbraw/zinc/29/86/52/1026298652.db2.gz QHCPLCQOFVZHEP-UHFFFAOYSA-N -1 0 345.782 3.859 20 0 EHADRM CCCC[C@H](NC(=O)Nc1cccc(SC(F)F)c1)C(=O)[O-] ZINC000780534859 1026385477 /nfs/dbraw/zinc/38/54/77/1026385477.db2.gz YDDRQLRUKYTHSN-NSHDSACASA-N -1 0 332.372 3.766 20 0 EHADRM CCC(C)(C)N(C)C(=O)Nc1ccc(N2CCCC2)cc1C(=O)[O-] ZINC000684894867 1026443179 /nfs/dbraw/zinc/44/31/79/1026443179.db2.gz ICJSFPPZMUHKNT-UHFFFAOYSA-N -1 0 333.432 3.637 20 0 EHADRM CCC(C)(C)N(C)C(=O)Nc1cc(C(=O)[O-])ccc1OC(F)(F)F ZINC000684895328 1026446762 /nfs/dbraw/zinc/44/67/62/1026446762.db2.gz URJAVVGGLBRWQP-UHFFFAOYSA-N -1 0 348.321 3.936 20 0 EHADRM Cc1cc(NC(=O)c2ccccc2OC(F)F)cc(C(=O)[O-])c1C ZINC000324906343 1026455829 /nfs/dbraw/zinc/45/58/29/1026455829.db2.gz OZJCMOGMYZDISL-UHFFFAOYSA-N -1 0 335.306 3.855 20 0 EHADRM Cc1ccc(CNC(=O)CC(C)(C)C(=O)[O-])c(OCCC(C)C)c1 ZINC000531026063 1026498823 /nfs/dbraw/zinc/49/88/23/1026498823.db2.gz ATEDDSPZWHQKSA-UHFFFAOYSA-N -1 0 335.444 3.537 20 0 EHADRM CCO[C@H](CC(=O)N[C@@H](CCC(=O)[O-])c1ccccc1)C1=CCCC1 ZINC000431438688 1026504366 /nfs/dbraw/zinc/50/43/66/1026504366.db2.gz NHBBJSBFMSNMRV-ZWKOTPCHSA-N -1 0 345.439 3.614 20 0 EHADRM CC(C)(C)Cc1nc2cc(NC(=O)CC3(C(=O)[O-])CCC3)ccc2o1 ZINC000262474216 1026507146 /nfs/dbraw/zinc/50/71/46/1026507146.db2.gz HFTDFVRNDVOQNG-UHFFFAOYSA-N -1 0 344.411 4.000 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)C[C@@H](C)Cc1ccc(Cl)cc1 ZINC000431438160 1026516807 /nfs/dbraw/zinc/51/68/07/1026516807.db2.gz HMHRFJIYGBQNCR-AWEZNQCLSA-N -1 0 339.863 3.868 20 0 EHADRM C[C@@H](NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)c1ccccc1Cl ZINC000325011211 1026525343 /nfs/dbraw/zinc/52/53/43/1026525343.db2.gz BVUBFBZFLQFTQC-YJYMSZOUSA-N -1 0 345.826 3.950 20 0 EHADRM CCCN(Cc1c(F)cccc1Cl)C(=O)CC1(C(=O)[O-])CCC1 ZINC000262479099 1026552238 /nfs/dbraw/zinc/55/22/38/1026552238.db2.gz HRWUWQFVPUXLKQ-UHFFFAOYSA-N -1 0 341.810 3.863 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)c(F)c1 ZINC000262482020 1026565480 /nfs/dbraw/zinc/56/54/80/1026565480.db2.gz YCUNUFULCKWECK-SFHVURJKSA-N -1 0 339.366 3.816 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2noc3cc(Cl)ccc32)c(C)s1 ZINC000342650096 1026578569 /nfs/dbraw/zinc/57/85/69/1026578569.db2.gz JWLCKEUURNMMPS-UHFFFAOYSA-N -1 0 342.829 3.960 20 0 EHADRM CCC[C@@](C)(NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000431461844 1026692513 /nfs/dbraw/zinc/69/25/13/1026692513.db2.gz VZXSGXKQUTZTLI-YVEFUNNKSA-N -1 0 325.836 3.668 20 0 EHADRM Cc1c(C(=O)Nc2cc(Br)cc(Cl)c2[O-])ccn1C ZINC000684978974 1026939083 /nfs/dbraw/zinc/93/90/83/1026939083.db2.gz NOQYIJRBAYOSGP-UHFFFAOYSA-N -1 0 343.608 3.707 20 0 EHADRM O=C(NCCc1ccc(OC(F)F)cc1)c1ccc([O-])c(Cl)c1 ZINC000060962585 1027033684 /nfs/dbraw/zinc/03/36/84/1027033684.db2.gz LGWBKCMGRADQBM-UHFFFAOYSA-N -1 0 341.741 3.620 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cnc(C)nc2C2CC2)cc1CC ZINC000685007945 1027044153 /nfs/dbraw/zinc/04/41/53/1027044153.db2.gz YJHMNQUWHCQDDX-UHFFFAOYSA-N -1 0 345.468 3.588 20 0 EHADRM COc1ccc(C)cc1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000614738246 1027223315 /nfs/dbraw/zinc/22/33/15/1027223315.db2.gz PITQGJOGJBQNGN-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CC[C@](CNC(=O)c1sccc1C1CC1)(C(=O)[O-])c1ccccc1 ZINC000414434182 1027242790 /nfs/dbraw/zinc/24/27/90/1027242790.db2.gz CRUOJAXTLRPCPR-LJQANCHMSA-N -1 0 343.448 3.788 20 0 EHADRM COc1cc(S(=O)(=O)[N-]c2ncccc2C(C)C)ccc1Cl ZINC000414438581 1027295215 /nfs/dbraw/zinc/29/52/15/1027295215.db2.gz DSTXICVTIJUDEP-UHFFFAOYSA-N -1 0 340.832 3.668 20 0 EHADRM Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2nc3ccccc3c(=O)[nH]2)c1 ZINC000127750459 1027350501 /nfs/dbraw/zinc/35/05/01/1027350501.db2.gz IZDSGRIJTPJSMH-SFHVURJKSA-N -1 0 347.418 3.517 20 0 EHADRM CC(C)Cn1cc(C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)c2ccccc21 ZINC000414441615 1027352296 /nfs/dbraw/zinc/35/22/96/1027352296.db2.gz OFRLAKPUHGQXGI-HXUWFJFHSA-N -1 0 342.439 3.624 20 0 EHADRM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)c(C)n1 ZINC000414452592 1027491516 /nfs/dbraw/zinc/49/15/16/1027491516.db2.gz AOPYPLKEMYYHJT-UHFFFAOYSA-N -1 0 346.452 3.646 20 0 EHADRM O=C([N-]c1nnc(C2CC2)s1)c1c(F)cc(C(F)(F)F)cc1F ZINC000582754076 1027576845 /nfs/dbraw/zinc/57/68/45/1027576845.db2.gz SSPYRSLFYACGOB-UHFFFAOYSA-N -1 0 349.284 3.965 20 0 EHADRM C[C@H](NC(=O)NC1CCC(C(=O)[O-])CC1)c1cc2cccc(F)c2o1 ZINC000414638459 1027581206 /nfs/dbraw/zinc/58/12/06/1027581206.db2.gz HAWVZWRIQBYBRI-ZBOXLXRLSA-N -1 0 348.374 3.576 20 0 EHADRM CC(C)n1ncc(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c1C1CC1 ZINC000414460127 1027611234 /nfs/dbraw/zinc/61/12/34/1027611234.db2.gz XPHXDIKVDFENMT-GFCCVEGCSA-N -1 0 341.411 3.782 20 0 EHADRM FC(F)(F)c1nc(=NCc2ccc(-c3cccnc3)cc2)s[n-]1 ZINC000342847919 1027634567 /nfs/dbraw/zinc/63/45/67/1027634567.db2.gz KSKXKUTUDMYUOO-UHFFFAOYSA-N -1 0 336.342 3.653 20 0 EHADRM c1coc(-c2nc(CN=c3nc(C4CCCC4)[n-]s3)cs2)c1 ZINC000420596734 1027647646 /nfs/dbraw/zinc/64/76/46/1027647646.db2.gz HZVCVPUZYFDOCR-UHFFFAOYSA-N -1 0 332.454 3.946 20 0 EHADRM COCC[C@@H](N=c1[n-]c(-c2cccc(Cl)c2)no1)c1ccco1 ZINC000503300958 1027713364 /nfs/dbraw/zinc/71/33/64/1027713364.db2.gz UEUMURNHFVMWJW-CYBMUJFWSA-N -1 0 333.775 3.595 20 0 EHADRM O=C(/C=C\c1ccc[nH]1)Nc1cc(Cl)cc(Br)c1[O-] ZINC000588549582 1027790467 /nfs/dbraw/zinc/79/04/67/1027790467.db2.gz RMBBRJAFRNSJLD-ARJAWSKDSA-N -1 0 341.592 3.788 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cccc(OC2CCCCC2)c1 ZINC000422581491 1027805409 /nfs/dbraw/zinc/80/54/09/1027805409.db2.gz QCWVEXKZJSLCHA-GOEBONIOSA-N -1 0 345.439 3.723 20 0 EHADRM O=C(c1cc(-c2ccccc2)cc(Cl)c1[O-])N1CCC[C@H](CO)C1 ZINC000305118869 1027807107 /nfs/dbraw/zinc/80/71/07/1027807107.db2.gz LTBXADNQDGAZKF-ZDUSSCGKSA-N -1 0 345.826 3.557 20 0 EHADRM CN(C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C1CCCCC1 ZINC000665853310 1027819036 /nfs/dbraw/zinc/81/90/36/1027819036.db2.gz FEZOYHHULNZVPY-UHFFFAOYSA-N -1 0 333.819 3.636 20 0 EHADRM CCc1ccc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)cc1F ZINC000502145936 1027840350 /nfs/dbraw/zinc/84/03/50/1027840350.db2.gz YTDMOOFISOFDBY-UHFFFAOYSA-N -1 0 337.354 3.595 20 0 EHADRM COc1ccc(CCCCCC(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000532677070 1027895432 /nfs/dbraw/zinc/89/54/32/1027895432.db2.gz CZXSEPOLEGAGAX-QGZVFWFLSA-N -1 0 347.455 3.511 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)n2)c1 ZINC000783607816 1027939573 /nfs/dbraw/zinc/93/95/73/1027939573.db2.gz XFALBGSGZBIPIK-UHFFFAOYSA-N -1 0 331.224 3.752 20 0 EHADRM CCN=c1[n-]nc(SCCOc2ccc(C(F)(F)F)cc2)s1 ZINC000503667303 1028024724 /nfs/dbraw/zinc/02/47/24/1028024724.db2.gz PUXXMFSFLQXHHH-UHFFFAOYSA-N -1 0 349.403 3.582 20 0 EHADRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)NCC1CCCCCC1 ZINC000455378616 1028088757 /nfs/dbraw/zinc/08/87/57/1028088757.db2.gz XJZBHLTYLFOBOZ-UHFFFAOYSA-N -1 0 348.472 3.509 20 0 EHADRM CCCN(C(=O)Nc1ccc(Br)cc1)[C@@H](CC)C(=O)[O-] ZINC000582882520 1028138758 /nfs/dbraw/zinc/13/87/58/1028138758.db2.gz MHPPIDJVCJIRNU-LBPRGKRZSA-N -1 0 343.221 3.556 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)c2csc(C)c2C)s[n-]1 ZINC000472271494 1028183907 /nfs/dbraw/zinc/18/39/07/1028183907.db2.gz BOVPUJHNQRBNQK-UHFFFAOYSA-N -1 0 335.479 3.928 20 0 EHADRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000614852182 1028211658 /nfs/dbraw/zinc/21/16/58/1028211658.db2.gz CEXZLFVVTPKEFR-UHFFFAOYSA-N -1 0 331.437 3.683 20 0 EHADRM CCC(CC)c1cc(C(=O)Nc2nc3c(s2)C(=O)CCC3)on1 ZINC000153590072 1028259494 /nfs/dbraw/zinc/25/94/94/1028259494.db2.gz IMSUDIGIVQRSBO-UHFFFAOYSA-N -1 0 333.413 3.806 20 0 EHADRM Cc1ccc(F)c(-c2cc(=NC(=O)[C@@H](C)c3ccsc3)[nH][nH]2)c1 ZINC000444814175 1028317528 /nfs/dbraw/zinc/31/75/28/1028317528.db2.gz SDFOCKLGLJVSFO-NSHDSACASA-N -1 0 329.400 3.750 20 0 EHADRM CCOc1cccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1 ZINC000533690133 1028347242 /nfs/dbraw/zinc/34/72/42/1028347242.db2.gz RCBDGGSMPDPVDL-UHFFFAOYSA-N -1 0 329.780 3.679 20 0 EHADRM CC(C)COc1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000614863274 1028378425 /nfs/dbraw/zinc/37/84/25/1028378425.db2.gz UGGHEYOFQSOVFI-UHFFFAOYSA-N -1 0 341.379 3.800 20 0 EHADRM Cc1ccccc1C[C@H](C)N(C)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000444901249 1028383002 /nfs/dbraw/zinc/38/30/02/1028383002.db2.gz UKWCPXNMRFFVBB-ZDUSSCGKSA-N -1 0 346.500 3.661 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2CCC[C@H]2c2ccc(F)cc2C)s1 ZINC000454286983 1028385748 /nfs/dbraw/zinc/38/57/48/1028385748.db2.gz FKTRPBKRUYVUEZ-AWEZNQCLSA-N -1 0 348.447 3.729 20 0 EHADRM COCCCN(c1cc(Cl)cc(C(=O)[O-])c1)c1ccccc1N ZINC001211969682 1028438186 /nfs/dbraw/zinc/43/81/86/1028438186.db2.gz VJDDOTNEMDKURS-UHFFFAOYSA-N -1 0 334.803 3.795 20 0 EHADRM CCOc1cc(-c2noc(-c3cnc(C)nc3C)n2)cc(Cl)c1O ZINC000278011049 1028502830 /nfs/dbraw/zinc/50/28/30/1028502830.db2.gz VDNDLZQXWQUVFJ-UHFFFAOYSA-N -1 0 346.774 3.568 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)N=c1[n-]nc(C(C)(C)C)s1 ZINC000502647944 1028510085 /nfs/dbraw/zinc/51/00/85/1028510085.db2.gz NRTXNTMDBMWFIU-UHFFFAOYSA-N -1 0 334.445 3.689 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1ccc(F)cc1 ZINC000548783339 1028530407 /nfs/dbraw/zinc/53/04/07/1028530407.db2.gz ZAPRLFVFOCNHMZ-INIZCTEOSA-N -1 0 344.386 3.826 20 0 EHADRM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(Cl)cc1O ZINC000513812979 1028560992 /nfs/dbraw/zinc/56/09/92/1028560992.db2.gz VKTNAJGVAMUOQT-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM CCN(C(=O)c1ccc(C(=O)[O-])o1)[C@H](C)c1cc2ccccc2o1 ZINC000237044865 1028616012 /nfs/dbraw/zinc/61/60/12/1028616012.db2.gz XJHJVTVBIXYUPT-LLVKDONJSA-N -1 0 327.336 3.947 20 0 EHADRM C[C@H](CCC1CCCCC1)NC(=O)N=c1[n-]nc(C(F)F)s1 ZINC000523783118 1028619342 /nfs/dbraw/zinc/61/93/42/1028619342.db2.gz UPUIKPZBOBUUSJ-SECBINFHSA-N -1 0 332.420 3.768 20 0 EHADRM O=C1CCc2cc(-c3noc(-c4ccc([O-])c(Cl)c4)n3)ccc2N1 ZINC000445231438 1028623573 /nfs/dbraw/zinc/62/35/73/1028623573.db2.gz CDLVHJRWIGEXRV-UHFFFAOYSA-N -1 0 341.754 3.647 20 0 EHADRM Cn1ncc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000074563267 1028624376 /nfs/dbraw/zinc/62/43/76/1028624376.db2.gz CBXHYUXMNHDIAI-UHFFFAOYSA-N -1 0 347.827 3.541 20 0 EHADRM CSCc1cc(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)ccc1F ZINC000237383876 1028650664 /nfs/dbraw/zinc/65/06/64/1028650664.db2.gz MYQBIZLGCCPYJF-UHFFFAOYSA-N -1 0 333.384 3.948 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)c1ccccc1Cl)C(=O)[O-] ZINC000237407981 1028651258 /nfs/dbraw/zinc/65/12/58/1028651258.db2.gz PGFOVXGJUJTMGC-CYBMUJFWSA-N -1 0 331.799 3.703 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)CCCc1cccs1)C(=O)[O-] ZINC000237480832 1028652327 /nfs/dbraw/zinc/65/23/27/1028652327.db2.gz XRXAIQBSVPQGID-HNNXBMFYSA-N -1 0 345.464 3.820 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)C/C=C/c2cccc(F)c2)sc1C(=O)[O-] ZINC000237484854 1028652473 /nfs/dbraw/zinc/65/24/73/1028652473.db2.gz GFCJKJTZDHXOEI-DUMNWFOQSA-N -1 0 348.399 3.570 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1cc2cc(F)ccc2[nH]1 ZINC000237666116 1028660330 /nfs/dbraw/zinc/66/03/30/1028660330.db2.gz CNEMTWMUYCITIW-INIZCTEOSA-N -1 0 340.354 3.561 20 0 EHADRM Cc1ccc(CCC(=O)N[C@H](CC(=O)[O-])c2ccccc2C)c(C)c1 ZINC000237686113 1028662072 /nfs/dbraw/zinc/66/20/72/1028662072.db2.gz PWTFIGQXFSYSON-LJQANCHMSA-N -1 0 339.435 3.877 20 0 EHADRM Cc1cc(Cl)c2ccccc2c1NC(=O)[C@@H](C)O[C@H](C)C(=O)[O-] ZINC000421809214 1028795629 /nfs/dbraw/zinc/79/56/29/1028795629.db2.gz UZUDZBNNHAAVBM-GHMZBOCLSA-N -1 0 335.787 3.618 20 0 EHADRM CC(=O)Nc1ccc(Cc2nc(-c3ccc(O)cc3Cl)no2)cc1 ZINC000445443234 1028801290 /nfs/dbraw/zinc/80/12/90/1028801290.db2.gz FWMBUAFQSKONNM-UHFFFAOYSA-N -1 0 343.770 3.645 20 0 EHADRM Cc1nc(CN2CCC[C@H](C)[C@@H]2C(=O)[O-])oc1-c1ccc(Cl)cc1 ZINC000424267027 1028922456 /nfs/dbraw/zinc/92/24/56/1028922456.db2.gz JSGOZZXCNLXOMJ-MEDUHNTESA-N -1 0 348.830 3.989 20 0 EHADRM COc1ccc(-c2nc(CN3CCC[C@@H](C)[C@@H]3C(=O)[O-])cs2)cc1 ZINC000424271153 1028944475 /nfs/dbraw/zinc/94/44/75/1028944475.db2.gz ORLZSMNCBPGWFG-MLGOLLRUSA-N -1 0 346.452 3.504 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCC[C@H](CC(F)(F)F)C1 ZINC000421972662 1028972704 /nfs/dbraw/zinc/97/27/04/1028972704.db2.gz VGALMUGTUVAYBO-MRVPVSSYSA-N -1 0 339.716 3.989 20 0 EHADRM CCC(CC)(CNC(=O)N[C@@H](c1ccco1)c1ccccc1)C(=O)[O-] ZINC000424392926 1029028549 /nfs/dbraw/zinc/02/85/49/1029028549.db2.gz VDVAOMPPRWNFCA-MRXNPFEDSA-N -1 0 344.411 3.559 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)N=c1[nH][n-]c(-c2ccc(C)o2)c1C ZINC000532914473 1029036718 /nfs/dbraw/zinc/03/67/18/1029036718.db2.gz SJWSVMWVIMRWRY-INIZCTEOSA-N -1 0 337.423 3.916 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N=c1[nH][n-]c(-c2ccc(C)o2)c1C ZINC000532914475 1029038188 /nfs/dbraw/zinc/03/81/88/1029038188.db2.gz SJWSVMWVIMRWRY-MRXNPFEDSA-N -1 0 337.423 3.916 20 0 EHADRM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)NCCC(C)(C)C(=O)[O-])o1 ZINC000424405154 1029053945 /nfs/dbraw/zinc/05/39/45/1029053945.db2.gz NSXBANXZJUJHPL-TZMCWYRMSA-N -1 0 336.432 3.572 20 0 EHADRM CCN(C(=O)NC[C@H](CC(C)C)C(=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000424406830 1029054071 /nfs/dbraw/zinc/05/40/71/1029054071.db2.gz GRCHDYLAMJFRIK-ZFWWWQNUSA-N -1 0 338.423 3.665 20 0 EHADRM Cc1cc(Br)c(CN2CCC[C@@H](C)[C@H]2C(=O)[O-])s1 ZINC000424413817 1029058151 /nfs/dbraw/zinc/05/81/51/1029058151.db2.gz PRUSBVPXZRWHMI-PELKAZGASA-N -1 0 332.263 3.504 20 0 EHADRM Cc1nc([C@H](C)NC(=O)C[C@@H](C)c2ccccc2)sc1C(=O)[O-] ZINC000237365088 1029075465 /nfs/dbraw/zinc/07/54/65/1029075465.db2.gz FYGHDJNHZLYBNZ-PWSUYJOCSA-N -1 0 332.425 3.521 20 0 EHADRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)Nc3ccccc3C)n2)c1 ZINC000504931572 1029077459 /nfs/dbraw/zinc/07/74/59/1029077459.db2.gz ZLTMCCPJQFWTLF-UHFFFAOYSA-N -1 0 325.343 3.586 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)CCSc2ccc(F)cc2)s[n-]1 ZINC000524319275 1029078515 /nfs/dbraw/zinc/07/85/15/1029078515.db2.gz NPXWUBPIXJLTCF-UHFFFAOYSA-N -1 0 339.461 3.518 20 0 EHADRM CCC(CC)N(CC)C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000614941634 1029134569 /nfs/dbraw/zinc/13/45/69/1029134569.db2.gz YIVXYRVUJAXKDX-UHFFFAOYSA-N -1 0 335.835 3.882 20 0 EHADRM CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@@H]3CCC[C@@H](F)C3)c2)n1 ZINC000424607140 1029167438 /nfs/dbraw/zinc/16/74/38/1029167438.db2.gz QTOJPFDUNPHCEW-ZIAGYGMSSA-N -1 0 343.402 3.878 20 0 EHADRM Cc1cc(=NC(=O)c2csc(-c3ccc(Cl)cc3)n2)[n-]nc1C ZINC000524514131 1029258625 /nfs/dbraw/zinc/25/86/25/1029258625.db2.gz RFOSZQDQTPKZKC-UHFFFAOYSA-N -1 0 344.827 3.545 20 0 EHADRM CCC[C@](C)(NC(=O)N[C@H](C)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000583222785 1029307474 /nfs/dbraw/zinc/30/74/74/1029307474.db2.gz PGRYTFOHYGMRAV-PSLIRLAXSA-N -1 0 347.242 3.997 20 0 EHADRM CCc1ncsc1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000161979824 1029332060 /nfs/dbraw/zinc/33/20/60/1029332060.db2.gz QNMLQSMUKQKZAD-UHFFFAOYSA-N -1 0 337.253 3.813 20 0 EHADRM CCC(CC)(CC(=O)Nc1ccc(F)cc1OC(C)C)C(=O)[O-] ZINC000272218148 1029365845 /nfs/dbraw/zinc/36/58/45/1029365845.db2.gz PEOCDBIMVVPFGZ-UHFFFAOYSA-N -1 0 325.380 3.833 20 0 EHADRM CC(C)c1nc(/C=C\c2cn(C)nc2-c2ccccc2)ncc1C(=O)[O-] ZINC000255663474 1029371747 /nfs/dbraw/zinc/37/17/47/1029371747.db2.gz VQJXPYJOLZFYOK-KTKRTIGZSA-N -1 0 348.406 3.869 20 0 EHADRM CCc1ncsc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000162018220 1029415059 /nfs/dbraw/zinc/41/50/59/1029415059.db2.gz OBKJUJNTNGESHC-UHFFFAOYSA-N -1 0 337.253 3.813 20 0 EHADRM CCc1oc(C(=O)N2CC[C@H](c3ccccc3)[C@@H](C)C2)cc1C(=O)[O-] ZINC000261607108 1029460158 /nfs/dbraw/zinc/46/01/58/1029460158.db2.gz DSDKWQYYGLIGEZ-ZFWWWQNUSA-N -1 0 341.407 3.806 20 0 EHADRM CCc1oc(C(=O)N2CCC[C@H](c3ccccc3)CC2)cc1C(=O)[O-] ZINC000261628809 1029463009 /nfs/dbraw/zinc/46/30/09/1029463009.db2.gz JDBAJNDJCFUUQZ-HNNXBMFYSA-N -1 0 341.407 3.950 20 0 EHADRM CCc1oc(C(=O)N2CCC[C@H]2c2cccc(C)c2)cc1C(=O)[O-] ZINC000261624486 1029477156 /nfs/dbraw/zinc/47/71/56/1029477156.db2.gz IKFDFLKTZPHRMN-HNNXBMFYSA-N -1 0 327.380 3.826 20 0 EHADRM CCc1oc(C(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)cc1C(=O)[O-] ZINC000261737812 1029494174 /nfs/dbraw/zinc/49/41/74/1029494174.db2.gz ZCFVMKCGQOQVQW-WCQYABFASA-N -1 0 331.368 3.747 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])[S@@](=O)Cc1csc(-c2cccs2)n1 ZINC000567346056 1029496423 /nfs/dbraw/zinc/49/64/23/1029496423.db2.gz MWPDVHGYRXRMBM-QKVFXAPYSA-N -1 0 343.495 3.620 20 0 EHADRM CCS[C@H]1CCCCN(C(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000272564874 1029515350 /nfs/dbraw/zinc/51/53/50/1029515350.db2.gz AZYJLKPUYPDYFF-VIFPVBQESA-N -1 0 333.375 3.557 20 0 EHADRM Cc1ncccc1[N-]S(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000524796072 1029516162 /nfs/dbraw/zinc/51/61/62/1029516162.db2.gz AQXPFWSXLBETDV-UHFFFAOYSA-N -1 0 336.416 3.762 20 0 EHADRM COc1ccccc1[C@@H]1CCN(C(=O)[C@](C)(CC(=O)[O-])CC(C)C)C1 ZINC000634899422 1029518192 /nfs/dbraw/zinc/51/81/92/1029518192.db2.gz KZDFNBYJRUPDRK-QRWLVFNGSA-N -1 0 347.455 3.538 20 0 EHADRM CCCOc1cccc(CC(=O)Nc2cc(C(C)=O)ccc2[O-])c1 ZINC000272701408 1029573530 /nfs/dbraw/zinc/57/35/30/1029573530.db2.gz SDGZJWRCJVSYQI-UHFFFAOYSA-N -1 0 327.380 3.565 20 0 EHADRM C[C@H](CC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1cccc(F)c1 ZINC000262238667 1029576034 /nfs/dbraw/zinc/57/60/34/1029576034.db2.gz TZAGLVNTOIXTGQ-FZKQIMNGSA-N -1 0 341.382 3.530 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262272751 1029577459 /nfs/dbraw/zinc/57/74/59/1029577459.db2.gz IUHOTNVZFVAGAU-BBATYDOGSA-N -1 0 347.411 3.676 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)N1CCCC2(CCCC2)C1 ZINC000446326402 1029578828 /nfs/dbraw/zinc/57/88/28/1029578828.db2.gz NACLKFNJWIACHP-UHFFFAOYSA-N -1 0 336.439 3.754 20 0 EHADRM CC(C)[C@@H]1CCCCN1C(=O)N=c1[n-]nc(/C=C\c2ccco2)s1 ZINC000446339684 1029595783 /nfs/dbraw/zinc/59/57/83/1029595783.db2.gz GFRXEOUEPRUIGM-CKXPSTMWSA-N -1 0 346.456 3.766 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N2CC3(CCCC3)[C@H]2C(C)C)s1 ZINC000583304960 1029610657 /nfs/dbraw/zinc/61/06/57/1029610657.db2.gz GZPHZUMJICPEJX-LLVKDONJSA-N -1 0 340.518 3.505 20 0 EHADRM COc1cc(CN=c2[n-]nc(-c3ccccc3)o2)ccc1SC ZINC000508564227 1029618905 /nfs/dbraw/zinc/61/89/05/1029618905.db2.gz ANOHLTCFZDZUCW-UHFFFAOYSA-N -1 0 327.409 3.501 20 0 EHADRM Cc1nc([C@H](C)NC(=O)c2cccc(C)c2Cl)sc1C(=O)[O-] ZINC000262795863 1029636439 /nfs/dbraw/zinc/63/64/39/1029636439.db2.gz NTRMYQGFNJKVMV-VIFPVBQESA-N -1 0 338.816 3.603 20 0 EHADRM CC(C)[C@@H](NC(=O)CC1(C(=O)[O-])CCC1)c1ccc(Cl)cc1F ZINC000262860893 1029645950 /nfs/dbraw/zinc/64/59/50/1029645950.db2.gz VJBHNRBBHJEQHZ-OAHLLOKOSA-N -1 0 341.810 3.937 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)C(C)(C)c2ccccc2Cl)C1 ZINC000262886331 1029647320 /nfs/dbraw/zinc/64/73/20/1029647320.db2.gz HELMMHNEWBEIGT-GOSISDBHSA-N -1 0 337.847 3.577 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000262878943 1029648175 /nfs/dbraw/zinc/64/81/75/1029648175.db2.gz GQARNDVVSCIXIO-SFHVURJKSA-N -1 0 333.359 3.705 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000263029846 1029657699 /nfs/dbraw/zinc/65/76/99/1029657699.db2.gz QVELHRCZOPXJKP-OPYAIIAOSA-N -1 0 339.435 3.949 20 0 EHADRM CCCc1ccc([C@@H](NC(=O)NCCC(=O)[O-])c2cccs2)cc1 ZINC000263060611 1029661598 /nfs/dbraw/zinc/66/15/98/1029661598.db2.gz RYIZHRILZIUNOD-QGZVFWFLSA-N -1 0 346.452 3.564 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)Nc2scnc2C2CC2)c1 ZINC000263076747 1029664948 /nfs/dbraw/zinc/66/49/48/1029664948.db2.gz QRERGOCZUKMETJ-UHFFFAOYSA-N -1 0 331.397 3.682 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N[C@@](C)(CC(=O)[O-])C(C)C ZINC000263031063 1029665794 /nfs/dbraw/zinc/66/57/94/1029665794.db2.gz QWROHPAYDVNWAR-KRWDZBQOSA-N -1 0 337.416 3.968 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000263100573 1029665909 /nfs/dbraw/zinc/66/59/09/1029665909.db2.gz CTRBOVJPMPJXTJ-NEPJUHHUSA-N -1 0 347.798 3.925 20 0 EHADRM CCc1oc(C(=O)N(CC)[C@H](C)Cc2ccsc2)cc1C(=O)[O-] ZINC000263158367 1029670003 /nfs/dbraw/zinc/67/00/03/1029670003.db2.gz ZOBBNLLCLARJFQ-LLVKDONJSA-N -1 0 335.425 3.695 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCCc1csc2ccccc12 ZINC000263252545 1029680236 /nfs/dbraw/zinc/68/02/36/1029680236.db2.gz SZCDPSFASNYXBP-ZIAGYGMSSA-N -1 0 345.464 3.936 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC000263315128 1029687419 /nfs/dbraw/zinc/68/74/19/1029687419.db2.gz YTWURENJTUJDGC-HNNXBMFYSA-N -1 0 325.408 3.830 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000263319409 1029687840 /nfs/dbraw/zinc/68/78/40/1029687840.db2.gz IJXUMIHVAXJALK-MAUKXSAKSA-N -1 0 337.419 3.640 20 0 EHADRM Cc1c2cccc(Cl)c2oc1C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000263325037 1029688945 /nfs/dbraw/zinc/68/89/45/1029688945.db2.gz ONLJOJBUDDKHOU-QGZVFWFLSA-N -1 0 335.787 3.722 20 0 EHADRM CCc1c(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cnn1C(C)(C)C ZINC000263341103 1029689654 /nfs/dbraw/zinc/68/96/54/1029689654.db2.gz RYNHKKNEQJLMAA-GFCCVEGCSA-N -1 0 343.427 3.641 20 0 EHADRM CC1(c2ccccc2)CCN(C(=O)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000263351861 1029690283 /nfs/dbraw/zinc/69/02/83/1029690283.db2.gz PZUXSPKFYUYZBB-UHFFFAOYSA-N -1 0 337.419 3.508 20 0 EHADRM CC(C)(NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000263346160 1029690577 /nfs/dbraw/zinc/69/05/77/1029690577.db2.gz UCSSXICAMDFMSC-ZJUUUORDSA-N -1 0 344.238 3.846 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2nc(-c3ccccc3)cs2)C1 ZINC000263437033 1029697857 /nfs/dbraw/zinc/69/78/57/1029697857.db2.gz OUJHJJUKSQZHAH-ZDUSSCGKSA-N -1 0 344.436 3.527 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c(F)c1 ZINC000263484134 1029703655 /nfs/dbraw/zinc/70/36/55/1029703655.db2.gz MAAXQSSPXFMNAQ-HNNXBMFYSA-N -1 0 344.386 3.732 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c1 ZINC000263484527 1029704430 /nfs/dbraw/zinc/70/44/30/1029704430.db2.gz MBBVXNXEYQLZBI-BIENJYKASA-N -1 0 346.427 3.583 20 0 EHADRM CCC(CC)N(CC)C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263502906 1029705989 /nfs/dbraw/zinc/70/59/89/1029705989.db2.gz WBZWZBDCQCGMSY-INIZCTEOSA-N -1 0 334.460 3.683 20 0 EHADRM CC(C)c1ccc(C(=O)NCc2nc(C(=O)[O-])cs2)cc1Cl ZINC000263527067 1029709442 /nfs/dbraw/zinc/70/94/42/1029709442.db2.gz KKYTVHIASMZUSW-UHFFFAOYSA-N -1 0 338.816 3.548 20 0 EHADRM CC(C)COc1ccccc1CN[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000583381576 1029738582 /nfs/dbraw/zinc/73/85/82/1029738582.db2.gz QWCVMMHJXQGVNK-GFCCVEGCSA-N -1 0 334.441 3.727 20 0 EHADRM CC(C)n1cc(N=c2[n-]nc(-c3c[nH]c4ccccc34)n2C(C)C)cn1 ZINC000583391385 1029757811 /nfs/dbraw/zinc/75/78/11/1029757811.db2.gz UAMHBCXVIGTBFB-UHFFFAOYSA-N -1 0 349.442 3.950 20 0 EHADRM CC[C@]1(C)CCCN(C(=O)c2cccc(Br)c2[O-])C1 ZINC000525262898 1029773172 /nfs/dbraw/zinc/77/31/72/1029773172.db2.gz JKKXEELWMTVHBC-OAHLLOKOSA-N -1 0 326.234 3.807 20 0 EHADRM CCCc1cnc([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)s1 ZINC000446759217 1029792913 /nfs/dbraw/zinc/79/29/13/1029792913.db2.gz FFTVTTFCUBRPRT-UHFFFAOYSA-N -1 0 348.852 3.830 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccoc2C2CC2)cc1 ZINC000583443360 1029839316 /nfs/dbraw/zinc/83/93/16/1029839316.db2.gz KARVUMRRZWLCJS-OAHLLOKOSA-N -1 0 345.420 3.825 20 0 EHADRM CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2)c1C ZINC000525533064 1029889268 /nfs/dbraw/zinc/88/92/68/1029889268.db2.gz PJXLKRBKGXSYMA-UHFFFAOYSA-N -1 0 335.473 3.618 20 0 EHADRM Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000119986033 1029892606 /nfs/dbraw/zinc/89/26/06/1029892606.db2.gz CCBRCSBNLZIRDU-UHFFFAOYSA-N -1 0 349.305 3.675 20 0 EHADRM COc1ccccc1C1(CN=c2nc([C@H](C)OC)[n-]s2)CCCC1 ZINC000509697381 1029975013 /nfs/dbraw/zinc/97/50/13/1029975013.db2.gz LDLOATLCFMQOMJ-ZDUSSCGKSA-N -1 0 347.484 3.600 20 0 EHADRM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000481863828 1030057820 /nfs/dbraw/zinc/05/78/20/1030057820.db2.gz GMGWUNIUZIAFHF-UHFFFAOYSA-N -1 0 335.473 3.698 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)cc1C ZINC000090167006 1030078657 /nfs/dbraw/zinc/07/86/57/1030078657.db2.gz CTGVRRMXHCDRCM-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM CC(C)c1cnc(NC(=O)c2ccc(Br)c([O-])c2)s1 ZINC000120765055 1030087622 /nfs/dbraw/zinc/08/76/22/1030087622.db2.gz UEZAITPOSSWQNI-UHFFFAOYSA-N -1 0 341.230 3.987 20 0 EHADRM CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1sccc1OC ZINC000120936913 1030131417 /nfs/dbraw/zinc/13/14/17/1030131417.db2.gz WTTKFJCVRVOWPB-UHFFFAOYSA-N -1 0 341.454 3.655 20 0 EHADRM CCC[C@@H](C)N(C)C(=O)N=c1[n-]nc(-c2cc(C)cc(C)c2)s1 ZINC000481944653 1030135726 /nfs/dbraw/zinc/13/57/26/1030135726.db2.gz HPACTESRCLFBBZ-CYBMUJFWSA-N -1 0 332.473 3.896 20 0 EHADRM O=C([O-])c1sc2ccsc2c1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000532008278 1030229209 /nfs/dbraw/zinc/22/92/09/1030229209.db2.gz INQITMPDTJXSJD-GDGBQDQQSA-N -1 0 335.450 3.713 20 0 EHADRM O=C([O-])[C@H](c1ccsc1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000583642657 1030336033 /nfs/dbraw/zinc/33/60/33/1030336033.db2.gz PPFYKFQCKNTUHY-GJZGRUSLSA-N -1 0 337.828 3.601 20 0 EHADRM CCC[C@@H](NC(=O)N[C@H](C)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000583652612 1030366102 /nfs/dbraw/zinc/36/61/02/1030366102.db2.gz HDKFHGIRSJFRNG-LDYMZIIASA-N -1 0 333.215 3.607 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)cc1 ZINC000058625846 1030466534 /nfs/dbraw/zinc/46/65/34/1030466534.db2.gz OFFBCZMVXCQSTE-UHFFFAOYSA-N -1 0 326.421 3.906 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)N=c2cc(-c3ccc(C)o3)[n-][nH]2)c1 ZINC000447799641 1030483462 /nfs/dbraw/zinc/48/34/62/1030483462.db2.gz KRLCNDFXWMOELC-LBPRGKRZSA-N -1 0 339.395 3.541 20 0 EHADRM O=S(=O)([N-]c1ccsc1)c1ccc(C(F)(F)F)c(F)c1 ZINC000447784863 1030487867 /nfs/dbraw/zinc/48/78/67/1030487867.db2.gz GDEULTHYVNDNPF-UHFFFAOYSA-N -1 0 325.308 3.707 20 0 EHADRM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)sc1Cl)C(F)(F)F ZINC000476606858 1030529843 /nfs/dbraw/zinc/52/98/43/1030529843.db2.gz QRUWCWCQJSRYTP-SCSAIBSYSA-N -1 0 342.191 3.532 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCc2c1cc(F)cc2F ZINC000194460742 1030634227 /nfs/dbraw/zinc/63/42/27/1030634227.db2.gz OJLDKTHYRFCYQD-UHFFFAOYSA-N -1 0 327.689 3.666 20 0 EHADRM O=C([O-])c1csc(C2CCN(c3ccc4ccccc4n3)CC2)n1 ZINC000583756233 1030648742 /nfs/dbraw/zinc/64/87/42/1030648742.db2.gz UZOMDEKZDFGFTC-UHFFFAOYSA-N -1 0 339.420 3.774 20 0 EHADRM Cc1cc(C)c2nc(C3CC3)cc(C(=O)N(C)[C@H](C)CC(=O)[O-])c2c1 ZINC000583764874 1030672419 /nfs/dbraw/zinc/67/24/19/1030672419.db2.gz XUXIGCOXIRWXMU-CYBMUJFWSA-N -1 0 340.423 3.664 20 0 EHADRM COc1ncc(CN2[C@@H](C(=O)[O-])CC[C@H]2c2ccccc2)cc1Cl ZINC000583764593 1030675016 /nfs/dbraw/zinc/67/50/16/1030675016.db2.gz MYOGUGVDBLZXKC-JKSUJKDBSA-N -1 0 346.814 3.534 20 0 EHADRM Cc1ccc(C(C)(C)C(=O)N=c2nc(-c3ccccc3)[n-]s2)cc1 ZINC000482783944 1030711231 /nfs/dbraw/zinc/71/12/31/1030711231.db2.gz WIKDWCAHNGIVQN-UHFFFAOYSA-N -1 0 337.448 3.852 20 0 EHADRM CCN(C(=O)c1cccc(Br)c1[O-])[C@H](C)c1cccnc1 ZINC000537642670 1030738721 /nfs/dbraw/zinc/73/87/21/1030738721.db2.gz PEIHPFVCHLSOPI-LLVKDONJSA-N -1 0 349.228 3.773 20 0 EHADRM Cc1cc(Br)c(O)c(NC(=O)C2SCCCS2)c1 ZINC000841414515 1030757302 /nfs/dbraw/zinc/75/73/02/1030757302.db2.gz POFIXIIDFDZXRS-UHFFFAOYSA-N -1 0 348.287 3.598 20 0 EHADRM CC[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000194516004 1030768728 /nfs/dbraw/zinc/76/87/28/1030768728.db2.gz IWAHEQDADCLQGC-CQSZACIVSA-N -1 0 347.798 3.698 20 0 EHADRM CCC1CCC(N(C(=O)N=c2ccc(C3CC3)n[n-]2)C2CC2)CC1 ZINC000448149755 1030772393 /nfs/dbraw/zinc/77/23/93/1030772393.db2.gz XMNLMRVAFZMKQX-UHFFFAOYSA-N -1 0 328.460 3.741 20 0 EHADRM CC(C)[C@@H]1CCCCN1C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000527332254 1030807883 /nfs/dbraw/zinc/80/78/83/1030807883.db2.gz KNFDRQCIQJVHQX-AWEZNQCLSA-N -1 0 330.457 3.669 20 0 EHADRM O=C(N=c1nc(-c2cccc(Cl)c2)[n-]s1)c1sccc1F ZINC000550962080 1030839377 /nfs/dbraw/zinc/83/93/77/1030839377.db2.gz KRGBODIOFWNGIE-UHFFFAOYSA-N -1 0 339.804 3.733 20 0 EHADRM O=C([O-])c1cc(F)c(F)cc1C(=O)N[C@H]1CCCc2sccc21 ZINC000321535330 1030841725 /nfs/dbraw/zinc/84/17/25/1030841725.db2.gz PTZMZUOVCWYQQL-ZDUSSCGKSA-N -1 0 337.347 3.532 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)CCCOc2ccccc2)c1 ZINC000262833080 1030927313 /nfs/dbraw/zinc/92/73/13/1030927313.db2.gz BUFRKUPWNILYHR-CQSZACIVSA-N -1 0 327.380 3.672 20 0 EHADRM Cc1cccc(-c2c[nH]c([C@H]3CCCN3c3ccnc(C(=O)[O-])c3)n2)c1 ZINC000650767389 1031013559 /nfs/dbraw/zinc/01/35/59/1031013559.db2.gz STQXBSJMHYSDOF-GOSISDBHSA-N -1 0 348.406 3.820 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1)c1ccccc1F ZINC000343537505 1031311237 /nfs/dbraw/zinc/31/12/37/1031311237.db2.gz HBQPDEOEYKYDAP-LLVKDONJSA-N -1 0 325.343 3.664 20 0 EHADRM Cc1nc(C)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)s1 ZINC000175687734 1031329618 /nfs/dbraw/zinc/32/96/18/1031329618.db2.gz XJFCITVIRFDWJN-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM CC(C)(c1ccc(C(=O)N2CCCC[C@H]2C(=O)[O-])cc1)C(F)(F)F ZINC000668266985 1031344081 /nfs/dbraw/zinc/34/40/81/1031344081.db2.gz BJVAAXARQQBLMV-ZDUSSCGKSA-N -1 0 343.345 3.606 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)CC3CC(F)(F)C3)ccc2s1 ZINC000668273491 1031373943 /nfs/dbraw/zinc/37/39/43/1031373943.db2.gz CCZGOOGLMAYQMS-UHFFFAOYSA-N -1 0 325.336 3.973 20 0 EHADRM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2O)c1 ZINC000551477833 1031376698 /nfs/dbraw/zinc/37/66/98/1031376698.db2.gz VKNQICWQKVUWNM-UHFFFAOYSA-N -1 0 325.817 3.970 20 0 EHADRM CC[C@@H](C)[C@H](OC)C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000668289837 1031405413 /nfs/dbraw/zinc/40/54/13/1031405413.db2.gz FBCHRGLPCVHFOX-XVSDVWIESA-N -1 0 343.423 3.533 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cccc(CC(=O)[O-])c3)C2)cc1 ZINC000668300161 1031426906 /nfs/dbraw/zinc/42/69/06/1031426906.db2.gz CMXPYSHRLUGGGB-DNVCBOLYSA-N -1 0 337.419 3.640 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCCC[C@@H]3C)n2)c1 ZINC000176263625 1031448247 /nfs/dbraw/zinc/44/82/47/1031448247.db2.gz ONIDSANLHAADCF-AWEZNQCLSA-N -1 0 327.428 3.716 20 0 EHADRM Cc1ccccc1-c1nc(=N[C@H]2CCOC3(CCCC3)C2)s[n-]1 ZINC000527935129 1031500157 /nfs/dbraw/zinc/50/01/57/1031500157.db2.gz SGEVBMIYQMAMLN-AWEZNQCLSA-N -1 0 329.469 3.839 20 0 EHADRM CC[C@@H](Cc1ccc(NCc2nn(C)c3ccccc23)cc1)C(=O)[O-] ZINC000904015544 1031603677 /nfs/dbraw/zinc/60/36/77/1031603677.db2.gz RCDMIVLPFNLSQC-HNNXBMFYSA-N -1 0 337.423 3.839 20 0 EHADRM CC[C@@H](Cc1ccc(NCc2c(C)nc3ccccn32)cc1)C(=O)[O-] ZINC000904015715 1031603688 /nfs/dbraw/zinc/60/36/88/1031603688.db2.gz VMFMXVKRJJAATL-INIZCTEOSA-N -1 0 337.423 3.908 20 0 EHADRM O=C([O-])C[C@@H]([NH2+]Cc1ccc(F)nc1)c1cccc(C(F)(F)F)c1 ZINC000904010508 1031627756 /nfs/dbraw/zinc/62/77/56/1031627756.db2.gz KAECNGQHPDOBBP-CYBMUJFWSA-N -1 0 342.292 3.545 20 0 EHADRM CC(C)(C)c1csc(CN[C@H](CC(=O)[O-])c2ccccc2F)n1 ZINC000904046228 1031666570 /nfs/dbraw/zinc/66/65/70/1031666570.db2.gz XUKDMASHEWXJSZ-CYBMUJFWSA-N -1 0 336.432 3.885 20 0 EHADRM COc1cc(C)cc(CN[C@H](C(=O)[O-])c2ccccc2Cl)c1OC ZINC000904026395 1031668927 /nfs/dbraw/zinc/66/89/27/1031668927.db2.gz STZNQKBNBJUTTE-INIZCTEOSA-N -1 0 349.814 3.581 20 0 EHADRM CCCCc1oc2ccccc2c1CNCc1cc(C(=O)[O-])no1 ZINC000904054475 1031676495 /nfs/dbraw/zinc/67/64/95/1031676495.db2.gz WWAJKKULGAGXNY-UHFFFAOYSA-N -1 0 328.368 3.751 20 0 EHADRM COc1cccc(OC)c1S(=O)(=O)[N-]c1ccc(C2CCC2)cc1 ZINC000278637469 1031771470 /nfs/dbraw/zinc/77/14/70/1031771470.db2.gz YUEKCWNNEVIJPB-UHFFFAOYSA-N -1 0 347.436 3.772 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)c(C)s1 ZINC000179525557 1031781907 /nfs/dbraw/zinc/78/19/07/1031781907.db2.gz XKGYMDNLIPJJJL-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM Cc1nc(-c2cccc(N[C@H]3C[C@H](NC(=O)[O-])C34CCC4)c2)oc1C ZINC000904199343 1031844683 /nfs/dbraw/zinc/84/46/83/1031844683.db2.gz HTORQMAAJLWBRT-HOTGVXAUSA-N -1 0 341.411 3.949 20 0 EHADRM O=C([O-])N[C@H]1C[C@H](Nc2cccc(OCC(F)(F)F)c2)C12CCC2 ZINC000904199376 1031844897 /nfs/dbraw/zinc/84/48/97/1031844897.db2.gz IIJJYIVELKVAAH-STQMWFEESA-N -1 0 344.333 3.618 20 0 EHADRM O=C([O-])N[C@H]1C[C@@H](Nc2ccc(SC(F)F)cc2)C12CCC2 ZINC000904199657 1031847743 /nfs/dbraw/zinc/84/77/43/1031847743.db2.gz QPISSESBRJQYNA-NEPJUHHUSA-N -1 0 328.384 3.992 20 0 EHADRM O=C([O-])N[C@@H]1C[C@@H](Nc2ccc3nc(C4CC4)oc3c2)C12CCC2 ZINC000904224413 1031861384 /nfs/dbraw/zinc/86/13/84/1031861384.db2.gz VWMPQEQXPVAHRS-HUUCEWRRSA-N -1 0 327.384 3.696 20 0 EHADRM O=C([O-])[C@H](CC(=O)N[C@H]1CCCc2c(F)cccc21)c1ccccc1 ZINC000666105683 1031872462 /nfs/dbraw/zinc/87/24/62/1031872462.db2.gz MWRGWZZSEZPFFX-AEFFLSMTSA-N -1 0 341.382 3.578 20 0 EHADRM CCCCn1ncc(N[C@@H]2C[C@@H](NC(=O)[O-])C23CCC3)c1C(C)C ZINC000904234413 1031883165 /nfs/dbraw/zinc/88/31/65/1031883165.db2.gz KUJYHRDQWYAJRP-HUUCEWRRSA-N -1 0 334.464 3.797 20 0 EHADRM FC(F)(F)c1nc(=Nc2cccc(C3CCOCC3)c2)s[n-]1 ZINC000528198796 1031887951 /nfs/dbraw/zinc/88/79/51/1031887951.db2.gz SGKNBHHLIJDLNJ-UHFFFAOYSA-N -1 0 329.347 3.616 20 0 EHADRM O=C([O-])N[C@@H]1C[C@H](Nc2ccc(N3CCCCC3)c(F)c2)C12CCC2 ZINC000904256676 1031905226 /nfs/dbraw/zinc/90/52/26/1031905226.db2.gz FRVAHOHDWJFQNU-DLBZAZTESA-N -1 0 347.434 3.807 20 0 EHADRM Cc1cccc(C)c1NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000180827073 1031913728 /nfs/dbraw/zinc/91/37/28/1031913728.db2.gz YARZKEJQFCKDBH-UHFFFAOYSA-N -1 0 325.343 3.586 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)[C@@H]1CCCc2sccc21 ZINC000455912179 1031947597 /nfs/dbraw/zinc/94/75/97/1031947597.db2.gz VXPGJUPRFDQXOO-XJKSGUPXSA-N -1 0 343.448 3.670 20 0 EHADRM COCC[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1ccc(C)o1 ZINC000278681544 1031980446 /nfs/dbraw/zinc/98/04/46/1031980446.db2.gz PDLDCFFUMJNBTF-ZDUSSCGKSA-N -1 0 341.766 3.594 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2sccc2C2CC2)C[C@@H]1c1ccccc1 ZINC000448992141 1031998475 /nfs/dbraw/zinc/99/84/75/1031998475.db2.gz KPCSYJCCZTUGSL-CVEARBPZSA-N -1 0 341.432 3.566 20 0 EHADRM Cc1c(C(=O)[O-])cnn1-c1cccc(NC(=O)[C@@H]2CCC[C@@H](C)C2)c1 ZINC000448989554 1031999184 /nfs/dbraw/zinc/99/91/84/1031999184.db2.gz GVRYVNICNFHNHK-TZMCWYRMSA-N -1 0 341.411 3.644 20 0 EHADRM CCCCSCCC(=O)N[C@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC000448991481 1032001082 /nfs/dbraw/zinc/00/10/82/1032001082.db2.gz KDVIHDRTMJWGJB-QGZVFWFLSA-N -1 0 341.448 3.555 20 0 EHADRM CC(=O)N1CC2(CC2)c2ccc(Nc3ccc(C(=O)[O-])cc3C)cc21 ZINC001211624418 1033351893 /nfs/dbraw/zinc/35/18/93/1033351893.db2.gz GXRUEWBSSJNEBK-UHFFFAOYSA-N -1 0 336.391 3.835 20 0 EHADRM CO[C@H](C)c1nc(=Nc2ccc(OC3CCCC3)c(F)c2)s[n-]1 ZINC000574705152 1033363958 /nfs/dbraw/zinc/36/39/58/1033363958.db2.gz FVEZDPWFWKCYSA-SNVBAGLBSA-N -1 0 337.420 3.872 20 0 EHADRM Cc1cc(C)c(CN=c2[n-]nc([C@@H]3Cc4ccccc4O3)o2)cc1C ZINC000537489049 1033367932 /nfs/dbraw/zinc/36/79/32/1033367932.db2.gz DDWZPSGDBIPWTG-SFHVURJKSA-N -1 0 335.407 3.705 20 0 EHADRM CS[C@@H](C)c1nc(-c2cc(F)c([O-])c(Br)c2)no1 ZINC000598685207 1033384708 /nfs/dbraw/zinc/38/47/08/1033384708.db2.gz YIPJJDZWAAEZCY-YFKPBYRVSA-N -1 0 333.182 3.768 20 0 EHADRM C[C@H](Cc1n[n-]c(=NCc2cn(C)nc2C(C)(C)C)o1)CC(C)(C)C ZINC000537490263 1033390446 /nfs/dbraw/zinc/39/04/46/1033390446.db2.gz CFBIPAGHOQJWNW-CYBMUJFWSA-N -1 0 347.507 3.749 20 0 EHADRM O=C(c1ccc2ccc(O)cc2c1O)N1CCC[C@@]2(CC2(F)F)C1 ZINC000898294964 1033439482 /nfs/dbraw/zinc/43/94/82/1033439482.db2.gz RCVIJCDGNMSNSA-QGZVFWFLSA-N -1 0 333.334 3.512 20 0 EHADRM O=S(=O)([N-][C@H](CC1CC1)c1ccccc1)c1c(F)cccc1F ZINC000608036129 1033446733 /nfs/dbraw/zinc/44/67/33/1033446733.db2.gz NHFHALYYIGOXAP-MRXNPFEDSA-N -1 0 337.391 3.785 20 0 EHADRM O=S(=O)([N-]c1cccc2ccncc21)c1c(F)cccc1Cl ZINC000547330456 1033455067 /nfs/dbraw/zinc/45/50/67/1033455067.db2.gz LTXANQCYMTUZHP-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c(C)c1 ZINC000170708154 1033485308 /nfs/dbraw/zinc/48/53/08/1033485308.db2.gz BPDDZNKCWQUEFT-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM C[C@H](NC(=O)NC(C)(C)C(=O)[O-])c1ccc(Oc2ccccc2)cc1 ZINC000780513970 1033498581 /nfs/dbraw/zinc/49/85/81/1033498581.db2.gz QIMBGRFNAULKCV-ZDUSSCGKSA-N -1 0 342.395 3.702 20 0 EHADRM COC(=O)c1ccc(CN=c2[n-]nc(C3CCCCC3)o2)cc1Cl ZINC000594733921 1033508023 /nfs/dbraw/zinc/50/80/23/1033508023.db2.gz KLBZRWSKJRZHMA-UHFFFAOYSA-N -1 0 349.818 3.591 20 0 EHADRM CSCc1cccc(-c2cncc([C@@H]3OCC[C@H]3C(=O)[O-])c2)c1 ZINC000594873998 1033528892 /nfs/dbraw/zinc/52/88/92/1033528892.db2.gz HBPUAFICSMRXOL-SJORKVTESA-N -1 0 329.421 3.774 20 0 EHADRM CSCCCCC(=O)N=c1ccc(-c2ccc(Cl)s2)n[n-]1 ZINC000598870175 1033541775 /nfs/dbraw/zinc/54/17/75/1033541775.db2.gz PWNOKLOLFTYIJO-UHFFFAOYSA-N -1 0 341.889 3.752 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@H](C)CCc2cccc(F)c2)c1 ZINC000476382169 1033716438 /nfs/dbraw/zinc/71/64/38/1033716438.db2.gz RPERLLVKQXFBSG-GFCCVEGCSA-N -1 0 329.371 3.941 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)nc1 ZINC000116603813 1033723201 /nfs/dbraw/zinc/72/32/01/1033723201.db2.gz SBKHBBLPUKCDNR-UHFFFAOYSA-N -1 0 348.371 3.623 20 0 EHADRM CC[C@]1(C)CCN(C(=O)c2cc(Br)c(F)cc2[O-])C1 ZINC000450100292 1033738894 /nfs/dbraw/zinc/73/88/94/1033738894.db2.gz KCTKEGRSAMOAJS-CQSZACIVSA-N -1 0 330.197 3.556 20 0 EHADRM Cc1ccc(C[C@@H]2CCCN2C(=O)c2c([O-])cc(F)cc2F)cc1 ZINC000603551066 1033742759 /nfs/dbraw/zinc/74/27/59/1033742759.db2.gz JCZOIJZCNAVDMC-HNNXBMFYSA-N -1 0 331.362 3.826 20 0 EHADRM Cc1ccc(C(=O)N=c2nc(Sc3ccccc3)[n-]s2)cc1 ZINC000599131054 1033750963 /nfs/dbraw/zinc/75/09/63/1033750963.db2.gz LXLIFQHNYMAALN-UHFFFAOYSA-N -1 0 327.434 3.672 20 0 EHADRM Cc1cc(Br)c(S(=O)(=O)[N-]c2ccc(C)cc2)s1 ZINC000460419698 1033764109 /nfs/dbraw/zinc/76/41/09/1033764109.db2.gz KXTAKIFFOUSGBZ-UHFFFAOYSA-N -1 0 346.271 3.928 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000005259904 1033775816 /nfs/dbraw/zinc/77/58/16/1033775816.db2.gz WQJFYUOPRKDOGA-UHFFFAOYSA-N -1 0 344.219 3.997 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2c(C)nn(C)c2C)cc1 ZINC000146266363 1033778128 /nfs/dbraw/zinc/77/81/28/1033778128.db2.gz BYRQJMBHIVXFTI-UHFFFAOYSA-N -1 0 335.473 3.525 20 0 EHADRM CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1ccc(Cl)cc1O ZINC000450221610 1033929305 /nfs/dbraw/zinc/92/93/05/1033929305.db2.gz UOMGQAAIWAEOLY-ZDUSSCGKSA-N -1 0 340.851 3.561 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)s1 ZINC000055652225 1033991872 /nfs/dbraw/zinc/99/18/72/1033991872.db2.gz RQWJNVPKHDLFCP-UHFFFAOYSA-N -1 0 325.455 3.953 20 0 EHADRM O=C(N=c1nc(-c2ccccc2)[n-]s1)N1CCCC12CCCCC2 ZINC000534039613 1034047921 /nfs/dbraw/zinc/04/79/21/1034047921.db2.gz FAPVVNNZTDEUOG-UHFFFAOYSA-N -1 0 342.468 3.958 20 0 EHADRM CCOC(=O)c1csc(=N[C@@H](CC)c2cc(F)ccc2F)[n-]1 ZINC000450348778 1034157687 /nfs/dbraw/zinc/15/76/87/1034157687.db2.gz NAGAAUOBXOUNJK-LBPRGKRZSA-N -1 0 326.368 3.583 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c(O)c1 ZINC000119513302 1034176681 /nfs/dbraw/zinc/17/66/81/1034176681.db2.gz SLLRFZFPQCISOC-UHFFFAOYSA-N -1 0 331.315 3.520 20 0 EHADRM CCOC(=O)c1csc(=N[C@@H](C)c2c(F)cccc2Cl)[n-]1 ZINC000450366711 1034180800 /nfs/dbraw/zinc/18/08/00/1034180800.db2.gz UPGYFWDJVMBLIE-QMMMGPOBSA-N -1 0 328.796 3.707 20 0 EHADRM CN(C)c1ccc(NC(=O)c2cc(F)c([O-])c(F)c2)cc1Cl ZINC000177087968 1034436339 /nfs/dbraw/zinc/43/63/39/1034436339.db2.gz OHMBYPWDWZVPKP-UHFFFAOYSA-N -1 0 326.730 3.642 20 0 EHADRM CCc1nc(C)c(CSc2n[n-]c(=NCc3ccccc3)s2)o1 ZINC000450635839 1034624438 /nfs/dbraw/zinc/62/44/38/1034624438.db2.gz LOUCFCUUBMEGRD-UHFFFAOYSA-N -1 0 346.481 3.723 20 0 EHADRM CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1N=c1[n-]nc(C2CC2)s1 ZINC000343815037 1034704303 /nfs/dbraw/zinc/70/43/03/1034704303.db2.gz SCHHDOYBXFUCJJ-BZUAXINKSA-N -1 0 329.469 3.601 20 0 EHADRM Cc1oc(CN(C)C(=O)c2ccc3c4c(cccc42)CC3)cc1C(=O)[O-] ZINC000431645243 1034762813 /nfs/dbraw/zinc/76/28/13/1034762813.db2.gz WXBLPCKYRQSUGZ-UHFFFAOYSA-N -1 0 349.386 3.810 20 0 EHADRM COc1ccc(O)c(C(=O)Nc2cccc(C3CCOCC3)c2)c1 ZINC000529937881 1034768425 /nfs/dbraw/zinc/76/84/25/1034768425.db2.gz DPWQGPSTWNCVCO-UHFFFAOYSA-N -1 0 327.380 3.547 20 0 EHADRM Cc1c(Cl)cccc1N=c1[n-]nc(SCC(=O)C2CC2)s1 ZINC000597503496 1034777904 /nfs/dbraw/zinc/77/79/04/1034777904.db2.gz OZTLBZLHDMCNII-UHFFFAOYSA-N -1 0 339.873 3.737 20 0 EHADRM CCOC(=O)CCc1c(C)[n-]n(-c2cc(Cl)ccc2Cl)c1=O ZINC000601941612 1034844171 /nfs/dbraw/zinc/84/41/71/1034844171.db2.gz YLGUWPQAHDORLY-NSHDSACASA-N -1 0 343.210 3.675 20 0 EHADRM CC[C@H](c1n[n-]c(=NC(=O)N[C@@H]2CC=CCC2)s1)c1ccccc1 ZINC000605924889 1034846657 /nfs/dbraw/zinc/84/66/57/1034846657.db2.gz UDVOUUVLSASENO-CABCVRRESA-N -1 0 342.468 3.732 20 0 EHADRM CSc1ccc(NC(=O)[C@H](C)S[C@H](C)C(=O)[O-])cc1Cl ZINC000601987543 1034856050 /nfs/dbraw/zinc/85/60/50/1034856050.db2.gz IFUJLWZVYQXWNY-JGVFFNPUSA-N -1 0 333.862 3.595 20 0 EHADRM C[C@H](c1ccccc1F)N(C)C(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000326848463 1034877981 /nfs/dbraw/zinc/87/79/81/1034877981.db2.gz NWGMXQVDHDOIBD-JLTOFOAXSA-N -1 0 343.398 3.778 20 0 EHADRM Cc1cc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])nc2ccccc12 ZINC000431652197 1034881629 /nfs/dbraw/zinc/88/16/29/1034881629.db2.gz ATVFHOZLSLTHNE-IFXJQAMLSA-N -1 0 348.402 3.735 20 0 EHADRM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1sccc1F ZINC000450964103 1034989962 /nfs/dbraw/zinc/98/99/62/1034989962.db2.gz BNSWMVKJENNJKX-UHFFFAOYSA-N -1 0 340.445 3.597 20 0 EHADRM Cc1csc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)c1 ZINC000450981282 1035010871 /nfs/dbraw/zinc/01/08/71/1035010871.db2.gz XBMBTBAYNSWJLJ-UHFFFAOYSA-N -1 0 334.422 3.876 20 0 EHADRM CC(C)([N-]S(=O)(=O)c1cc(Cl)sc1Cl)C(F)(F)F ZINC000451033438 1035034607 /nfs/dbraw/zinc/03/46/07/1035034607.db2.gz UFZBGXILTGHTDB-UHFFFAOYSA-N -1 0 342.191 3.674 20 0 EHADRM C[C@H](C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1cc2ccccc2o1 ZINC000347355346 1035041055 /nfs/dbraw/zinc/04/10/55/1035041055.db2.gz WHUAABDVTXXMMR-GUYCJALGSA-N -1 0 349.386 3.747 20 0 EHADRM CC1(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])CCCCCC1 ZINC000431679533 1035205827 /nfs/dbraw/zinc/20/58/27/1035205827.db2.gz QNMSDNTWBROYFJ-OAHLLOKOSA-N -1 0 335.419 3.546 20 0 EHADRM C[C@H](CC(=O)NCc1cccc(C(=O)[O-])c1)Cc1ccc(Cl)cc1 ZINC000431688730 1035245418 /nfs/dbraw/zinc/24/54/18/1035245418.db2.gz VTWFDVJZXHMLSZ-ZDUSSCGKSA-N -1 0 345.826 3.923 20 0 EHADRM CCC(C)(C)c1ccc(CNC(=O)c2ccc3oc(=O)nc-3[n-]2)cc1 ZINC000612842301 1035254086 /nfs/dbraw/zinc/25/40/86/1035254086.db2.gz GTAMENHCLSYBHP-UHFFFAOYSA-N -1 0 339.395 3.546 20 0 EHADRM O=C(Nc1ccccc1N1CCCC1=O)c1cc(F)cc(Cl)c1[O-] ZINC000161712469 1035430212 /nfs/dbraw/zinc/43/02/12/1035430212.db2.gz LQNJHHQPKHMQJX-UHFFFAOYSA-N -1 0 348.761 3.564 20 0 EHADRM CCc1ccc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)cc1OC ZINC000414090070 1035477047 /nfs/dbraw/zinc/47/70/47/1035477047.db2.gz KOEKTHNFQUDWNF-FQEVSTJZSA-N -1 0 341.407 3.629 20 0 EHADRM Cc1ccc2cccc(C(=O)N[C@@H](CC(=O)[O-])C3CCCCC3)c2n1 ZINC000431796282 1035544530 /nfs/dbraw/zinc/54/45/30/1035544530.db2.gz KAVUEYYXMGUUDY-KRWDZBQOSA-N -1 0 340.423 3.697 20 0 EHADRM Cc1cc2cc(C(=O)N=c3nc(C(C)(C)C)[n-]s3)oc2cc1C ZINC000463477996 1035544531 /nfs/dbraw/zinc/54/45/31/1035544531.db2.gz LFZMVKVKPHXWEW-UHFFFAOYSA-N -1 0 329.425 3.873 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2[nH]c3ccccc3c2Cl)c1 ZINC000540701709 1035582643 /nfs/dbraw/zinc/58/26/43/1035582643.db2.gz CXDMVJIGSKABRN-UHFFFAOYSA-N -1 0 332.718 3.911 20 0 EHADRM O=C(c1nn(-c2cccc(Cl)c2)cc1[O-])N1CCC[C@@H]2CCC[C@@H]21 ZINC000669225231 1035607148 /nfs/dbraw/zinc/60/71/48/1035607148.db2.gz HINDZNLUSMYUGL-WFASDCNBSA-N -1 0 345.830 3.636 20 0 EHADRM Cc1c(C(=O)N[C@H](CC(=O)[O-])C2CCCCC2)cnc2ccccc12 ZINC000431804749 1035619912 /nfs/dbraw/zinc/61/99/12/1035619912.db2.gz MGENYKJXCVEWCT-GOSISDBHSA-N -1 0 340.423 3.697 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)Nc1cccc(-c2nc(C)c(C)o2)c1)C(=O)[O-] ZINC000571742046 1035638180 /nfs/dbraw/zinc/63/81/80/1035638180.db2.gz AKNSLGJYXNPACL-BMIGLBTASA-N -1 0 345.399 3.579 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000540775157 1035672387 /nfs/dbraw/zinc/67/23/87/1035672387.db2.gz HRYPMKIUFZWLRQ-OAHLLOKOSA-N -1 0 349.496 3.956 20 0 EHADRM C[C@H](CNC(=O)c1cc2sc3ccccc3c2s1)CC(=O)[O-] ZINC000540786408 1035680645 /nfs/dbraw/zinc/68/06/45/1035680645.db2.gz LLOOTRKDCSVCAY-VIFPVBQESA-N -1 0 333.434 3.957 20 0 EHADRM Cc1nc2ccccn2c1CN=c1[n-]nc(C[C@@H](C)CC(C)(C)C)o1 ZINC000540792451 1035687533 /nfs/dbraw/zinc/68/75/33/1035687533.db2.gz HBRJZLOJOHPTLU-CYBMUJFWSA-N -1 0 341.459 3.675 20 0 EHADRM c1ccc(-c2noc(=NC[C@@H]3CCCO[C@@H]3c3ccccc3)[n-]2)cc1 ZINC000588162338 1035734809 /nfs/dbraw/zinc/73/48/09/1035734809.db2.gz URKBXLMUZZMUKO-ZWKOTPCHSA-N -1 0 335.407 3.738 20 0 EHADRM CO[C@H](c1ccccc1Cl)[C@H](C)N=c1nc(C(C)C)[n-]s1 ZINC000540869573 1035749263 /nfs/dbraw/zinc/74/92/63/1035749263.db2.gz WYVBHCRNMJTGSE-GWCFXTLKSA-N -1 0 325.865 3.925 20 0 EHADRM COc1ccc(C)cc1CNC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1 ZINC000588176233 1035801349 /nfs/dbraw/zinc/80/13/49/1035801349.db2.gz NBBGAQYHRRBDRY-HXUWFJFHSA-N -1 0 347.455 3.681 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N2[C@H](C)C[C@H]2C)s1)c1ccccc1 ZINC000571970448 1035852603 /nfs/dbraw/zinc/85/26/03/1035852603.db2.gz WKBZJJOJBPKNLI-YRGRVCCFSA-N -1 0 330.457 3.517 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)c1F ZINC000541014950 1035915619 /nfs/dbraw/zinc/91/56/19/1035915619.db2.gz MRLWPFCXAURQHO-AWEZNQCLSA-N -1 0 347.333 3.716 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)c1F ZINC000541014951 1035917596 /nfs/dbraw/zinc/91/75/96/1035917596.db2.gz MRLWPFCXAURQHO-CQSZACIVSA-N -1 0 347.333 3.716 20 0 EHADRM COc1cc(F)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C)c(F)c1 ZINC000588623358 1035918025 /nfs/dbraw/zinc/91/80/25/1035918025.db2.gz GBPURTTWZSWDLT-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM COc1cc(F)c(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)c(F)c1 ZINC000588627988 1035921278 /nfs/dbraw/zinc/92/12/78/1035921278.db2.gz YVEAQBMBPSIZJJ-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM CC[C@H](NC(=O)c1c(C)ccc(C)c1C(=O)[O-])c1ccc(OC)cc1 ZINC000327788658 1035930537 /nfs/dbraw/zinc/93/05/37/1035930537.db2.gz RIIALJVGSRWVTP-INIZCTEOSA-N -1 0 341.407 3.891 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3c2ccn3C)c1 ZINC000535025197 1035930952 /nfs/dbraw/zinc/93/09/52/1035930952.db2.gz FSIGIHOCHVJFKE-UHFFFAOYSA-N -1 0 334.828 3.941 20 0 EHADRM C[C@@H]1CCCN(c2cc(C(=O)Nc3ccc(F)c(F)c3[O-])ccn2)C1 ZINC000457316617 1035946189 /nfs/dbraw/zinc/94/61/89/1035946189.db2.gz PZNPNIRHGAOXMO-LLVKDONJSA-N -1 0 347.365 3.554 20 0 EHADRM C[C@@H]1CN(C(=O)N=c2ccc(-c3ccccc3)n[n-]2)[C@H]2CCCC[C@H]12 ZINC000541092526 1035976912 /nfs/dbraw/zinc/97/69/12/1035976912.db2.gz NEEPACDTMYRFPA-KYJSFNMBSA-N -1 0 336.439 3.608 20 0 EHADRM CCCCOc1ccc(CNc2ncccc2C(=O)[O-])cc1OC ZINC000613477777 1036009549 /nfs/dbraw/zinc/00/95/49/1036009549.db2.gz FHSWOAQPMOTVNI-UHFFFAOYSA-N -1 0 330.384 3.579 20 0 EHADRM CC[C@H](CNC(=O)CC1(C(=O)[O-])CCCCCC1)CC(F)(F)F ZINC000402503872 1036030524 /nfs/dbraw/zinc/03/05/24/1036030524.db2.gz AARKEMLVDBTRGA-LBPRGKRZSA-N -1 0 337.382 3.897 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N(Cc1cccnc1)C1CC1 ZINC000572300682 1036058726 /nfs/dbraw/zinc/05/87/26/1036058726.db2.gz IVACPEILBXEEMS-UHFFFAOYSA-N -1 0 336.313 3.611 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)c2cccc(OC3CCCC3)c2)C1 ZINC000263115479 1036096421 /nfs/dbraw/zinc/09/64/21/1036096421.db2.gz WTKWDEAIRCYPPM-FQEVSTJZSA-N -1 0 345.439 3.581 20 0 EHADRM Cc1ccnc(Oc2cc(NC(=O)[C@H](C(=O)[O-])C(C)C)ccc2C)c1 ZINC000514676452 1036173381 /nfs/dbraw/zinc/17/33/81/1036173381.db2.gz VNIPDBPVHOOATP-QGZVFWFLSA-N -1 0 342.395 3.786 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)cc1F ZINC000174972555 1036186771 /nfs/dbraw/zinc/18/67/71/1036186771.db2.gz KIAVBAZAPMCDBF-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM Cc1csc([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)n1 ZINC000190413306 1036239232 /nfs/dbraw/zinc/23/92/32/1036239232.db2.gz WJEBOIMLAWKUPB-UHFFFAOYSA-N -1 0 337.253 3.700 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Nc1cc(F)ccc1Cl ZINC000318501074 1036319831 /nfs/dbraw/zinc/31/98/31/1036319831.db2.gz FBTJIEHRBAWLQR-LLVKDONJSA-N -1 0 328.771 3.730 20 0 EHADRM CCn1nccc1[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000589264954 1036327282 /nfs/dbraw/zinc/32/72/82/1036327282.db2.gz HNIDRADBBAWRHO-UHFFFAOYSA-N -1 0 348.255 3.627 20 0 EHADRM CC(C)Cn1nccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000589266248 1036332847 /nfs/dbraw/zinc/33/28/47/1036332847.db2.gz RBLOCMHCHDGNPV-UHFFFAOYSA-N -1 0 335.473 3.637 20 0 EHADRM C[C@]1(C(=O)Nc2cc(Br)cc(Cl)c2[O-])CCCCO1 ZINC000457690678 1036399884 /nfs/dbraw/zinc/39/98/84/1036399884.db2.gz PIMQMSOBASVJRX-CYBMUJFWSA-N -1 0 348.624 3.706 20 0 EHADRM O=S(=O)([N-]c1cncc2ccccc21)c1cc(F)ccc1Cl ZINC000535386675 1036430279 /nfs/dbraw/zinc/43/02/79/1036430279.db2.gz BOEAQFTZYZTDSA-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM CCc1csc([N-]S(=O)(=O)c2ccc(SC)c(Cl)c2)n1 ZINC000464408833 1036432755 /nfs/dbraw/zinc/43/27/55/1036432755.db2.gz FFAFBGRGCRVHPQ-UHFFFAOYSA-N -1 0 348.902 3.882 20 0 EHADRM O=C(Nc1ccc(O)c(C(F)(F)F)c1)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000134216963 1036463725 /nfs/dbraw/zinc/46/37/25/1036463725.db2.gz QHWFYQOAMZEAGN-ZACCUICWSA-N -1 0 341.329 3.745 20 0 EHADRM COc1cccc(S(=O)(=O)[N-]c2cc(C)n(C3CCCCC3)n2)c1 ZINC000685902939 1036518902 /nfs/dbraw/zinc/51/89/02/1036518902.db2.gz HAXCCLYGBRBEAG-UHFFFAOYSA-N -1 0 349.456 3.506 20 0 EHADRM CC[C@H](CC(=O)N[C@](C)(CC(=O)[O-])C(C)C)c1ccc(OC)cc1 ZINC000263159700 1036536597 /nfs/dbraw/zinc/53/65/97/1036536597.db2.gz ZSLQCKMKDVGEIN-AUUYWEPGSA-N -1 0 335.444 3.585 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2OCCC3)c(Cl)c1 ZINC000464543381 1036546356 /nfs/dbraw/zinc/54/63/56/1036546356.db2.gz MFOYLBDVBKBPHV-UHFFFAOYSA-N -1 0 337.828 3.774 20 0 EHADRM CO[C@@H](C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)c1ccccc1 ZINC000192874524 1036559320 /nfs/dbraw/zinc/55/93/20/1036559320.db2.gz VZEYYZIDNGHMFE-MRXNPFEDSA-N -1 0 341.388 3.926 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000653537977 1036575634 /nfs/dbraw/zinc/57/56/34/1036575634.db2.gz NNWIPDWDIPEBTQ-AVRGHOLYSA-N -1 0 348.443 3.651 20 0 EHADRM CSc1ccc(N(C)C(=O)c2cc(F)c(F)c([O-])c2F)cc1 ZINC000541731709 1036585230 /nfs/dbraw/zinc/58/52/30/1036585230.db2.gz OQIMVLHBEPYQCI-UHFFFAOYSA-N -1 0 327.327 3.808 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H]1C(=O)Nc1ccccc1SCC(F)(F)F ZINC000391199063 1036596832 /nfs/dbraw/zinc/59/68/32/1036596832.db2.gz PETAILYGMSWMES-ZJUUUORDSA-N -1 0 347.358 3.780 20 0 EHADRM C[C@H](CCOc1ccccc1)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000263194592 1036617326 /nfs/dbraw/zinc/61/73/26/1036617326.db2.gz IZQXPUAGIYVGKJ-HUUCEWRRSA-N -1 0 341.407 3.918 20 0 EHADRM CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1 ZINC000541804187 1036670361 /nfs/dbraw/zinc/67/03/61/1036670361.db2.gz FTJZYKPENRCRDN-UHFFFAOYSA-N -1 0 333.409 3.519 20 0 EHADRM CCCCN(CC(=O)OCC)Cc1cc(Cl)c([O-])c(Cl)c1 ZINC001140832041 1036694507 /nfs/dbraw/zinc/69/45/07/1036694507.db2.gz CNZFMISWSFGVLV-UHFFFAOYSA-N -1 0 334.243 3.864 20 0 EHADRM Cc1cc2[nH]c(C(=O)N=c3nc(C(C)(C)C)[n-]s3)cc2c(C)c1 ZINC000590120098 1036764099 /nfs/dbraw/zinc/76/40/99/1036764099.db2.gz AFQLMJNZEIOBOV-UHFFFAOYSA-N -1 0 328.441 3.608 20 0 EHADRM Cc1nc(C)c(S(=O)(=O)[N-]c2cc(C)c(C)c3ncccc23)s1 ZINC000177088324 1036765408 /nfs/dbraw/zinc/76/54/08/1036765408.db2.gz ISMIGMVWCNMAMA-UHFFFAOYSA-N -1 0 347.465 3.726 20 0 EHADRM CO[C@@H](C)c1nsc([N-]c2ccn([C@@H](C)c3ccccc3)n2)n1 ZINC000669823866 1036768478 /nfs/dbraw/zinc/76/84/78/1036768478.db2.gz ZJRZPDYQPJLFGU-RYUDHWBXSA-N -1 0 329.429 3.795 20 0 EHADRM CCCCc1ccc(N(C)C(=O)c2ccc(C(=O)[O-])c(C)n2)cc1 ZINC000263326613 1036777649 /nfs/dbraw/zinc/77/76/49/1036777649.db2.gz KQIZIOYIZZFAEF-UHFFFAOYSA-N -1 0 326.396 3.707 20 0 EHADRM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)N=c1[n-]nc(C(F)F)s1 ZINC000590139997 1036789659 /nfs/dbraw/zinc/78/96/59/1036789659.db2.gz YKENEKLVFIJYHD-ZJUUUORDSA-N -1 0 332.420 3.624 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000263345105 1036805995 /nfs/dbraw/zinc/80/59/95/1036805995.db2.gz TUZJKJPYAIHYCW-PBHICJAKSA-N -1 0 341.407 3.979 20 0 EHADRM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000263371144 1036831827 /nfs/dbraw/zinc/83/18/27/1036831827.db2.gz YESORCXIWWEMMJ-OAHLLOKOSA-N -1 0 337.419 3.755 20 0 EHADRM C[C@H](NC(=O)c1cccc(Br)c1[O-])c1ccsc1 ZINC000669918054 1036836027 /nfs/dbraw/zinc/83/60/27/1036836027.db2.gz XIXQBZDUTBTHNH-QMMMGPOBSA-N -1 0 326.215 3.707 20 0 EHADRM CCC[C@@H]1CCCC[C@@H]1CNS(=O)(=O)c1cnc(Cl)c(F)c1 ZINC001212163321 1036853654 /nfs/dbraw/zinc/85/36/54/1036853654.db2.gz UHLDITFERHFFCD-VXGBXAGGSA-N -1 0 348.871 3.759 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@]3(C(=O)[O-])CC=CCC3)c2)cs1 ZINC000653281099 1036874744 /nfs/dbraw/zinc/87/47/44/1036874744.db2.gz YISQMELREWAFJS-SFHVURJKSA-N -1 0 342.420 3.868 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000263421669 1036890339 /nfs/dbraw/zinc/89/03/39/1036890339.db2.gz LGYFVEBWPDDHFH-LLVKDONJSA-N -1 0 347.308 3.704 20 0 EHADRM Cc1cc(O[C@@H](C)C(=O)[N-]OCc2cccnc2)ccc1C(C)C ZINC000152481996 1036899114 /nfs/dbraw/zinc/89/91/14/1036899114.db2.gz LLUIFGFOSYZMCY-HNNXBMFYSA-N -1 0 328.412 3.529 20 0 EHADRM Clc1cc(Cl)cc(-c2n[n-]c(=N[C@H]3CCCOCC3)s2)c1 ZINC000539551065 1036906474 /nfs/dbraw/zinc/90/64/74/1036906474.db2.gz PYCFFCQZJLUXQD-LBPRGKRZSA-N -1 0 344.267 3.915 20 0 EHADRM COc1ccc(F)cc1[C@@H](C)NC(=O)c1c(C)ccc(C)c1C(=O)[O-] ZINC000328024763 1036956403 /nfs/dbraw/zinc/95/64/03/1036956403.db2.gz UQFMEYBNBWWIST-GFCCVEGCSA-N -1 0 345.370 3.640 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCc1ccc(Cl)cc1Cl ZINC000263527524 1037040513 /nfs/dbraw/zinc/04/05/13/1037040513.db2.gz UTJHUDHYLXCHHS-PWSUYJOCSA-N -1 0 344.238 3.638 20 0 EHADRM CC(C)(C)Cc1n[n-]c(=NCc2ccccc2OCC(F)(F)F)o1 ZINC000539693141 1037085487 /nfs/dbraw/zinc/08/54/87/1037085487.db2.gz WLQIXVUAXRKSJE-UHFFFAOYSA-N -1 0 343.349 3.633 20 0 EHADRM CC[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(C(C)C)c1)C(C)C ZINC000753611565 1037089015 /nfs/dbraw/zinc/08/90/15/1037089015.db2.gz UMZFJNYLPUCANE-CQSZACIVSA-N -1 0 325.474 3.687 20 0 EHADRM CCCCCc1n[n-]c(=NCc2c[nH]nc2-c2cccs2)s1 ZINC000539708034 1037096933 /nfs/dbraw/zinc/09/69/33/1037096933.db2.gz XLVJOPSWRUDSJV-UHFFFAOYSA-N -1 0 333.486 3.756 20 0 EHADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C1(c3cccs3)CCCCC1)C2 ZINC000542140299 1037099626 /nfs/dbraw/zinc/09/96/26/1037099626.db2.gz BMXXKRJJFNPLOM-IFXJQAMLSA-N -1 0 347.480 3.663 20 0 EHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 ZINC000263557893 1037128191 /nfs/dbraw/zinc/12/81/91/1037128191.db2.gz ZRSGESWIDXWMRM-UKRRQHHQSA-N -1 0 349.324 3.722 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)NC/C=C\c1ccccc1)C1CCCCC1 ZINC000539772887 1037174152 /nfs/dbraw/zinc/17/41/52/1037174152.db2.gz QMFPSADJDMJMQQ-NHHWLVAYSA-N -1 0 329.440 3.877 20 0 EHADRM CC1(C)CCC[C@@H]1NC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666533762 1037206557 /nfs/dbraw/zinc/20/65/57/1037206557.db2.gz AJDOSRDWQLTHOT-KRWDZBQOSA-N -1 0 344.455 3.853 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1 ZINC000089286378 1037231332 /nfs/dbraw/zinc/23/13/32/1037231332.db2.gz ADTMIHCNDWAKPK-HUUCEWRRSA-N -1 0 331.478 3.614 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000659119029 1037292829 /nfs/dbraw/zinc/29/28/29/1037292829.db2.gz PEHVLVUOJKTOPZ-OAHLLOKOSA-N -1 0 333.771 3.821 20 0 EHADRM c1cc(CCCSc2n[n-]c(=NC3CCCCC3)s2)ccn1 ZINC000542338464 1037306889 /nfs/dbraw/zinc/30/68/89/1037306889.db2.gz JDSAZQHJLONLPL-UHFFFAOYSA-N -1 0 334.514 3.825 20 0 EHADRM CCSc1ccc([C@@H](C)NC(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC000659121918 1037313719 /nfs/dbraw/zinc/31/37/19/1037313719.db2.gz NDWMAIDGBNGLNA-SNVBAGLBSA-N -1 0 333.409 3.889 20 0 EHADRM COCc1ccc(S(=O)(=O)Nc2ccc(C)cc2SC)cc1 ZINC000414398001 1037336007 /nfs/dbraw/zinc/33/60/07/1037336007.db2.gz SOZLSHYHFGTIJA-UHFFFAOYSA-N -1 0 337.466 3.664 20 0 EHADRM COCc1csc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000659136055 1037343284 /nfs/dbraw/zinc/34/32/84/1037343284.db2.gz BKYFOGLBMCNSQO-UHFFFAOYSA-N -1 0 333.409 3.509 20 0 EHADRM O=C(/C=C\c1cnc2ccccc2n1)Nc1c(O)cccc1Cl ZINC000493430400 1037356774 /nfs/dbraw/zinc/35/67/74/1037356774.db2.gz UINNEJFFMAIWHA-HJWRWDBZSA-N -1 0 325.755 3.641 20 0 EHADRM O=c1nc(-c2ccco2)[n-]c2cc(-c3ccc4c(c3)OCO4)sc21 ZINC000053854825 1037394583 /nfs/dbraw/zinc/39/45/83/1037394583.db2.gz NMBRPRFZNFKHCE-UHFFFAOYSA-N -1 0 338.344 3.640 20 0 EHADRM Cc1cc(F)ccc1C[C@H](C)NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000659165352 1037400881 /nfs/dbraw/zinc/40/08/81/1037400881.db2.gz AMFFAHWSCRXBOR-AWEZNQCLSA-N -1 0 343.398 3.512 20 0 EHADRM C[C@@H](CC(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1)n1cccc1 ZINC000591447432 1037411416 /nfs/dbraw/zinc/41/14/16/1037411416.db2.gz HATTZSIIOJSWOC-NSHDSACASA-N -1 0 346.843 3.672 20 0 EHADRM C/C=C\C[C@H](NC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000573283119 1037420850 /nfs/dbraw/zinc/42/08/50/1037420850.db2.gz SOURSCLVASWOJV-ILAUXJOESA-N -1 0 330.211 3.633 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCc2ccccc2Cl)[C@@H]2CCCC[C@@H]12 ZINC000659190295 1037446943 /nfs/dbraw/zinc/44/69/43/1037446943.db2.gz SSUYSZIHWOXVCF-ZMSDIMECSA-N -1 0 349.858 3.765 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N3CC[C@H](C(=O)[O-])[C@H]4CCCC[C@@H]43)cc2c1 ZINC000659197034 1037454368 /nfs/dbraw/zinc/45/43/68/1037454368.db2.gz ZIKHUHHPVQJCJM-VKJFTORMSA-N -1 0 340.423 3.582 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc3ccccc3c2)[C@@H]2CCCC[C@H]12 ZINC000659196805 1037454500 /nfs/dbraw/zinc/45/45/00/1037454500.db2.gz XYEMLEFAUMHPMM-GUDVDZBRSA-N -1 0 337.419 3.945 20 0 EHADRM C[C@H](CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21)c1ccccc1 ZINC000659191345 1037460019 /nfs/dbraw/zinc/46/00/19/1037460019.db2.gz CIPZFZFLMZOKAP-NRSFXHEJSA-N -1 0 329.440 3.672 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(C3CC3)cc2)[C@@H]2CCCC[C@H]12 ZINC000659193797 1037462684 /nfs/dbraw/zinc/46/26/84/1037462684.db2.gz QOUQNEPUOPVNBN-KZNAEPCWSA-N -1 0 327.424 3.670 20 0 EHADRM C[C@H](CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21)c1ccc(F)cc1 ZINC000659196022 1037464902 /nfs/dbraw/zinc/46/49/02/1037464902.db2.gz RYSZMDJEZUEHJY-XFKAJCMBSA-N -1 0 347.430 3.811 20 0 EHADRM C[C@H](CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21)c1ccc(F)cc1 ZINC000659196021 1037465274 /nfs/dbraw/zinc/46/52/74/1037465274.db2.gz RYSZMDJEZUEHJY-QCSYZSNVSA-N -1 0 347.430 3.811 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)NC[C@H](CC(=O)[O-])C2CC2)cc1 ZINC000659209940 1037479312 /nfs/dbraw/zinc/47/93/12/1037479312.db2.gz RCQDDJFRVLUVNC-WHLIDYPQSA-N -1 0 329.440 3.830 20 0 EHADRM O=C(COC(=O)CCCC1CCCCC1)[N-]OCc1ccccc1 ZINC000058082231 1037486440 /nfs/dbraw/zinc/48/64/40/1037486440.db2.gz PMBXAQHXKSYQDJ-UHFFFAOYSA-N -1 0 333.428 3.528 20 0 EHADRM CCCN(Cc1ccccc1F)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000659215761 1037492621 /nfs/dbraw/zinc/49/26/21/1037492621.db2.gz QTTQNNGSCFHQAE-UHFFFAOYSA-N -1 0 329.371 3.505 20 0 EHADRM CC(C)Cc1nc(=NC(=O)c2ccc(C(C)(F)F)cc2)s[n-]1 ZINC000618350043 1037493809 /nfs/dbraw/zinc/49/38/09/1037493809.db2.gz MZABQQKKMOPCEO-UHFFFAOYSA-N -1 0 325.384 3.523 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)C3(C(=O)[O-])CCCC3)cc2)cs1 ZINC000573448748 1037499093 /nfs/dbraw/zinc/49/90/93/1037499093.db2.gz IZORHUAMSGBIMU-UHFFFAOYSA-N -1 0 330.409 3.702 20 0 EHADRM CC[C@H](CC(=O)NCc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000659226104 1037520576 /nfs/dbraw/zinc/52/05/76/1037520576.db2.gz UQIOSMYXDPYZJI-CYBMUJFWSA-N -1 0 329.371 3.724 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)C2(Cc3ccccc3)CCC2)c(F)c1 ZINC000659223986 1037524861 /nfs/dbraw/zinc/52/48/61/1037524861.db2.gz ZXHMUZPGSDNMJU-UHFFFAOYSA-N -1 0 341.382 3.553 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CO[C@@H]2CCCC[C@H]2CC)c1 ZINC000462925113 1037550300 /nfs/dbraw/zinc/55/03/00/1037550300.db2.gz NMXJFVAEPHJLIR-FZKQIMNGSA-N -1 0 333.428 3.909 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000653288234 1037550802 /nfs/dbraw/zinc/55/08/02/1037550802.db2.gz OAVMWNRLEMKIAX-CYBMUJFWSA-N -1 0 339.819 3.561 20 0 EHADRM C[C@@H](CC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC000659231465 1037553630 /nfs/dbraw/zinc/55/36/30/1037553630.db2.gz PRXWYJXIRNAGGK-VHRBIJSZSA-N -1 0 343.345 3.521 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N[C@@H]1CCC[C@]1(C)C(=O)[O-] ZINC000659239436 1037559461 /nfs/dbraw/zinc/55/94/61/1037559461.db2.gz LPEOFERAELZWIN-DYVFJYSZSA-N -1 0 335.400 3.722 20 0 EHADRM C[C@H](CC(=O)N[C@@H]1CCC[C@]1(C)C(=O)[O-])Cc1ccc(Cl)cc1 ZINC000659239451 1037559854 /nfs/dbraw/zinc/55/98/54/1037559854.db2.gz LRMHEQILMWWYDF-PNPHSEOMSA-N -1 0 337.847 3.668 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N[C@@H]3CCC[C@@]3(C)C(=O)[O-])s2)o1 ZINC000659239341 1037562553 /nfs/dbraw/zinc/56/25/53/1037562553.db2.gz LAFPQMUUOFVQCV-RHSMWYFYSA-N -1 0 333.409 3.690 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)C1(c2cccs2)CCCCC1 ZINC000659236442 1037565991 /nfs/dbraw/zinc/56/59/91/1037565991.db2.gz GEEQKUCJTFRJRZ-CXAGYDPISA-N -1 0 335.469 3.710 20 0 EHADRM COc1cccc(S(=O)(=O)[N-]C(=O)CCCc2ccc(C)cc2)c1 ZINC000058187275 1037569650 /nfs/dbraw/zinc/56/96/50/1037569650.db2.gz FIDQVFAZIJRRNH-UHFFFAOYSA-N -1 0 347.436 3.672 20 0 EHADRM C[C@@H](CC(=O)[O-])N(C)C(=O)/C=C\c1ccc(Cl)c(C(F)(F)F)c1 ZINC000493723512 1037581753 /nfs/dbraw/zinc/58/17/53/1037581753.db2.gz VFLWOCGMZKWRHE-RNEXMXFGSA-N -1 0 349.736 3.694 20 0 EHADRM CCCc1nc(=NC(=O)N[C@@H](CC)c2ccc(Cl)s2)s[n-]1 ZINC000573490419 1037584955 /nfs/dbraw/zinc/58/49/55/1037584955.db2.gz TWVQIMIKJGXADO-QMMMGPOBSA-N -1 0 344.893 3.900 20 0 EHADRM O=S(=O)([N-]c1ccc2ccccc2n1)c1ccc2c(c1)CCCC2 ZINC000591769036 1037611589 /nfs/dbraw/zinc/61/15/89/1037611589.db2.gz HUBNJSAIZQHCRT-UHFFFAOYSA-N -1 0 338.432 3.914 20 0 EHADRM O=C([O-])c1occc1CN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000573571534 1037615942 /nfs/dbraw/zinc/61/59/42/1037615942.db2.gz WUKKSVILOYFCBM-CYBMUJFWSA-N -1 0 328.393 3.925 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)s1 ZINC000460832853 1037658837 /nfs/dbraw/zinc/65/88/37/1037658837.db2.gz RPDGIZUFBHWVKU-UHFFFAOYSA-N -1 0 335.372 3.962 20 0 EHADRM FC(F)(F)Cc1n[n-]c(=NCc2ccc(C3CCC3)cc2)s1 ZINC000491822933 1037692829 /nfs/dbraw/zinc/69/28/29/1037692829.db2.gz YRTLIHISEZGIQB-UHFFFAOYSA-N -1 0 327.375 3.944 20 0 EHADRM Cc1cc(C)c([N-]S(=O)(=O)c2cc(F)c(C)cc2F)c(C)c1 ZINC000540211682 1037694493 /nfs/dbraw/zinc/69/44/93/1037694493.db2.gz XCKTWUPECJFKEC-UHFFFAOYSA-N -1 0 325.380 3.999 20 0 EHADRM CCc1c(NC(=O)c2ccc3[n-]c(=S)oc3c2)cnn1CC(C)C ZINC000157643994 1037791018 /nfs/dbraw/zinc/79/10/18/1037791018.db2.gz OKRKJJZAUPTLIB-UHFFFAOYSA-N -1 0 344.440 3.784 20 0 EHADRM CCCCOc1ccccc1[N-]S(=O)(=O)c1ccc(COC)cc1 ZINC000540337483 1037816615 /nfs/dbraw/zinc/81/66/15/1037816615.db2.gz DJTZVMIKMRVVCE-UHFFFAOYSA-N -1 0 349.452 3.813 20 0 EHADRM Cc1cc(F)c(S(=O)(=O)[N-]C(=O)C[C@@H](C)CC(C)(C)C)cc1F ZINC000761474001 1037929151 /nfs/dbraw/zinc/92/91/51/1037929151.db2.gz QALUIWFRSVEKBX-SNVBAGLBSA-N -1 0 347.427 3.541 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2N(C)C)s1 ZINC000431144499 1037931934 /nfs/dbraw/zinc/93/19/34/1037931934.db2.gz SINLKAMHUYRTML-UHFFFAOYSA-N -1 0 344.889 3.885 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)Cc1coc2ccc3ccccc3c12 ZINC000532618086 1037934131 /nfs/dbraw/zinc/93/41/31/1037934131.db2.gz VOZYLLXKGUYKAQ-ZDUSSCGKSA-N -1 0 339.391 3.840 20 0 EHADRM O=C(N[C@@H]1CCc2c1cccc2Cl)c1cc(F)c(F)c([O-])c1F ZINC000183476587 1037949912 /nfs/dbraw/zinc/94/99/12/1037949912.db2.gz GVCXXDCBXJLKKB-GFCCVEGCSA-N -1 0 341.716 3.880 20 0 EHADRM O=S(=O)([N-]c1cccnc1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000188020230 1037986877 /nfs/dbraw/zinc/98/68/77/1037986877.db2.gz ATUVEJFULXJAJB-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM Cc1ccc(-c2noc(C(=O)[N-]c3c(F)cccc3F)n2)cc1F ZINC001212171588 1038000040 /nfs/dbraw/zinc/00/00/40/1038000040.db2.gz WXTVMBQFEJOIQZ-UHFFFAOYSA-N -1 0 333.269 3.715 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccccc2-c2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000327682707 1038038714 /nfs/dbraw/zinc/03/87/14/1038038714.db2.gz OEHKGASHYUKAQS-HOCLYGCPSA-N -1 0 338.407 3.928 20 0 EHADRM O=C([N-]c1c(F)cccc1F)c1nc(-c2cc(F)cc(F)c2)no1 ZINC001212171653 1038055217 /nfs/dbraw/zinc/05/52/17/1038055217.db2.gz YPFDWHLBYLTLOK-UHFFFAOYSA-N -1 0 337.232 3.545 20 0 EHADRM CCCN(CC(C)C)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000416138506 1038220534 /nfs/dbraw/zinc/22/05/34/1038220534.db2.gz OVHQEIKMPMRXMU-UHFFFAOYSA-N -1 0 332.213 3.802 20 0 EHADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cccc(C2CCC2)c1 ZINC000461350660 1038342906 /nfs/dbraw/zinc/34/29/06/1038342906.db2.gz YZJUXUUTDJRBRA-UHFFFAOYSA-N -1 0 345.420 3.762 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)CCO2)c1ccc(C(F)(F)F)s1 ZINC000461335061 1038352014 /nfs/dbraw/zinc/35/20/14/1038352014.db2.gz YOZMHTRMHRDRQP-UHFFFAOYSA-N -1 0 349.355 3.503 20 0 EHADRM CCCOc1ccc(CN=c2[n-]nc(Cc3ccccc3F)o2)cc1 ZINC000538591820 1038421117 /nfs/dbraw/zinc/42/11/17/1038421117.db2.gz KNJGGMSGGQVWCZ-UHFFFAOYSA-N -1 0 341.386 3.622 20 0 EHADRM CCCCc1n[n-]c(=NCc2ccc(OC(C)C)c(OC)c2)s1 ZINC000538608034 1038433029 /nfs/dbraw/zinc/43/30/29/1038433029.db2.gz QPBAJMXXNLHPJI-UHFFFAOYSA-N -1 0 335.473 3.711 20 0 EHADRM CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000181801132 1038488124 /nfs/dbraw/zinc/48/81/24/1038488124.db2.gz UKDBCFWTUSJDGW-UHFFFAOYSA-N -1 0 345.754 3.622 20 0 EHADRM CCc1ccc(NC(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)cc1C ZINC000538808837 1038546615 /nfs/dbraw/zinc/54/66/15/1038546615.db2.gz VSOMTMPPUNBRCM-UHFFFAOYSA-N -1 0 335.407 3.597 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(C)c(C)c2)nn1-c1ccccc1 ZINC000538940587 1038605351 /nfs/dbraw/zinc/60/53/51/1038605351.db2.gz ORRIVGJHSYUQEF-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM CCCc1nc(=Nc2cccc(COCc3ccco3)c2)s[n-]1 ZINC000461788847 1038610419 /nfs/dbraw/zinc/61/04/19/1038610419.db2.gz TUHRXISGEGHBDX-UHFFFAOYSA-N -1 0 329.425 3.966 20 0 EHADRM Cc1cc(=O)[nH]c(-c2ccc(NC(=O)[C@H]3CCCC4(CC4)C3)cc2)n1 ZINC000667199055 1038665917 /nfs/dbraw/zinc/66/59/17/1038665917.db2.gz BCWMYZJQBNMOSQ-HNNXBMFYSA-N -1 0 337.423 3.654 20 0 EHADRM CC[C@@H](OCCN=c1[n-]c(C(F)(F)F)ns1)c1ccccc1 ZINC000651393266 1038763528 /nfs/dbraw/zinc/76/35/28/1038763528.db2.gz QKCQCMMBFIGFHC-LLVKDONJSA-N -1 0 331.363 3.559 20 0 EHADRM Cc1cc2occ(CC(=O)N[C@@]3(C)CCCC[C@@H]3C(=O)[O-])c2cc1C ZINC000431888196 1038773275 /nfs/dbraw/zinc/77/32/75/1038773275.db2.gz UZXHAMFOGAKXCJ-UZLBHIALSA-N -1 0 343.423 3.742 20 0 EHADRM O=S(=O)(NC1CCC(C(F)F)CC1)c1ccc(Cl)cc1F ZINC000416566322 1038773360 /nfs/dbraw/zinc/77/33/60/1038773360.db2.gz UNNVSMYYIUDTOH-UHFFFAOYSA-N -1 0 341.782 3.581 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCCCc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000910248814 1038786724 /nfs/dbraw/zinc/78/67/24/1038786724.db2.gz SELHJWZSMZQAOJ-KZNAEPCWSA-N -1 0 329.440 3.501 20 0 EHADRM O=C(COc1ccccc1Cl)Nc1cc(Cl)c([O-])cc1F ZINC000554026683 1038794345 /nfs/dbraw/zinc/79/43/45/1038794345.db2.gz KROZNDJGQXHPRR-UHFFFAOYSA-N -1 0 330.142 3.856 20 0 EHADRM Cc1cc(CNC(=O)C[C@H](C)c2c[nH]c3ccccc32)oc1C(=O)[O-] ZINC000910301104 1038813639 /nfs/dbraw/zinc/81/36/39/1038813639.db2.gz AIXIBOLFJMZWPI-NSHDSACASA-N -1 0 340.379 3.578 20 0 EHADRM Cc1cc(CNC(=O)C[C@@H](C)c2c[nH]c3ccccc32)oc1C(=O)[O-] ZINC000910301103 1038813923 /nfs/dbraw/zinc/81/39/23/1038813923.db2.gz AIXIBOLFJMZWPI-LLVKDONJSA-N -1 0 340.379 3.578 20 0 EHADRM CCc1nc(C)c([N-]S(=O)(=O)c2c(F)cccc2Cl)s1 ZINC000360804158 1038842749 /nfs/dbraw/zinc/84/27/49/1038842749.db2.gz VTKNOTLZFISTRB-UHFFFAOYSA-N -1 0 334.825 3.607 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cc3n[nH]cc3cc2C)c1Cl ZINC000539399339 1038892082 /nfs/dbraw/zinc/89/20/82/1038892082.db2.gz JSUUIPJZILOWDU-UHFFFAOYSA-N -1 0 335.816 3.634 20 0 EHADRM CC[C@]1(C)CCCN(C(=O)N=c2[n-]nc(-c3ccccc3)s2)C1 ZINC000479953509 1038942842 /nfs/dbraw/zinc/94/28/42/1038942842.db2.gz HAQISPJHZFBPEO-QGZVFWFLSA-N -1 0 330.457 3.671 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1cnc2ccc(F)cc2c1 ZINC000910507478 1038951385 /nfs/dbraw/zinc/95/13/85/1038951385.db2.gz MYECELKSLPXKFJ-UHFFFAOYSA-N -1 0 346.402 3.583 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN(C(=O)CC1CC(c3ccccc3)C1)C2 ZINC000910505339 1038953288 /nfs/dbraw/zinc/95/32/88/1038953288.db2.gz IFXFANZPRBONJC-UHFFFAOYSA-N -1 0 349.430 3.853 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-])c1cccc(SC(F)(F)F)c1 ZINC000910568620 1038967047 /nfs/dbraw/zinc/96/70/47/1038967047.db2.gz LJLXYQWRGBVVQA-AXTRIDKLSA-N -1 0 347.358 3.587 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C1CCCC1 ZINC000910566914 1038969446 /nfs/dbraw/zinc/96/94/46/1038969446.db2.gz JHUPMHDGPHPWDV-CYBMUJFWSA-N -1 0 330.211 3.757 20 0 EHADRM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccsc2)c2ccccc12 ZINC000182388225 1038991680 /nfs/dbraw/zinc/99/16/80/1038991680.db2.gz FMCZSPFOLSOZBC-UHFFFAOYSA-N -1 0 346.433 3.661 20 0 EHADRM CCCCn1ncc(NC(=O)/C=C/c2cc(C(=O)[O-])co2)c1C(C)C ZINC000910654796 1039002334 /nfs/dbraw/zinc/00/23/34/1039002334.db2.gz AAEWCBZQJMBJAG-VOTSOKGWSA-N -1 0 345.399 3.750 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)c1C1CC1 ZINC000910647986 1039002992 /nfs/dbraw/zinc/00/29/92/1039002992.db2.gz BCOLXLRTGUZYKG-DVBBHNHCSA-N -1 0 343.383 3.675 20 0 EHADRM Cc1cc(C(=O)Nc2cnn(CC(C)C)c2C(C)C)oc1C(=O)[O-] ZINC000910649332 1039003111 /nfs/dbraw/zinc/00/31/11/1039003111.db2.gz HIVSPXLWAFWUEM-UHFFFAOYSA-N -1 0 333.388 3.514 20 0 EHADRM CCc1c(NC(=O)C[C@@H](C)CC(=O)[O-])cnn1-c1cccc(Cl)c1 ZINC000910658443 1039008488 /nfs/dbraw/zinc/00/84/88/1039008488.db2.gz KNTMIZSRHFQQRI-LLVKDONJSA-N -1 0 349.818 3.528 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)Nc1ncc(CC(=O)[O-])s1)c1ccccc1 ZINC000910673697 1039013230 /nfs/dbraw/zinc/01/32/30/1039013230.db2.gz QLFJFPUQCFHARF-XHDPSFHLSA-N -1 0 332.425 3.539 20 0 EHADRM CCC[C@@H](C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC000236841401 1039063527 /nfs/dbraw/zinc/06/35/27/1039063527.db2.gz KBJIEIQUJCPOAK-RTBURBONSA-N -1 0 339.435 3.630 20 0 EHADRM C[C@@H](NCc1ccc(O[C@@H](C)C(=O)[O-])cc1)c1c(F)cccc1F ZINC000905728374 1039063906 /nfs/dbraw/zinc/06/39/06/1039063906.db2.gz RQYXQAFRFXOQAN-NEPJUHHUSA-N -1 0 335.350 3.668 20 0 EHADRM C[C@H](Oc1ccc(CN[C@@H](C)c2c(F)cccc2F)cc1)C(=O)[O-] ZINC000905728383 1039064245 /nfs/dbraw/zinc/06/42/45/1039064245.db2.gz RQYXQAFRFXOQAN-RYUDHWBXSA-N -1 0 335.350 3.668 20 0 EHADRM CCOC(=O)c1coc(=N[C@@H](C)c2oc3ccc(OC)cc3c2C)[n-]1 ZINC000418862218 1039067520 /nfs/dbraw/zinc/06/75/20/1039067520.db2.gz HOKLFHFCBOCWGL-NSHDSACASA-N -1 0 344.367 3.510 20 0 EHADRM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cnn([C@H](C)C3CC3)c2)cc1 ZINC000488315924 1039081365 /nfs/dbraw/zinc/08/13/65/1039081365.db2.gz FQXRSVPLLHDIKC-CQSZACIVSA-N -1 0 347.484 3.853 20 0 EHADRM Cn1ncc(C2CCC2)c1CNc1cc(C(=O)[O-])cc2cccnc21 ZINC000905763369 1039093602 /nfs/dbraw/zinc/09/36/02/1039093602.db2.gz ZTTXWUATASXBDX-UHFFFAOYSA-N -1 0 336.395 3.546 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)NCCC1(c2ccccc2)CC1 ZINC000910805897 1039102550 /nfs/dbraw/zinc/10/25/50/1039102550.db2.gz SOPRJIZGNBYGPL-UHFFFAOYSA-N -1 0 337.419 3.556 20 0 EHADRM CC(C)(C)c1ccc(OCCCC(=O)NC2CC(CC(=O)[O-])C2)cc1 ZINC000910809213 1039104822 /nfs/dbraw/zinc/10/48/22/1039104822.db2.gz CLRWHCLGGLUWSF-UHFFFAOYSA-N -1 0 347.455 3.513 20 0 EHADRM Cc1cccc([C@H]([N-]S(=O)(=O)c2cccc(F)c2)C(F)(F)F)c1 ZINC000512432139 1039106744 /nfs/dbraw/zinc/10/67/44/1039106744.db2.gz NPLRCKBMCDBSOT-AWEZNQCLSA-N -1 0 347.333 3.716 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)CCCc1nc(C)cs1 ZINC000910965585 1039162221 /nfs/dbraw/zinc/16/22/21/1039162221.db2.gz OFPNJLKAJSZQAE-UHFFFAOYSA-N -1 0 332.425 3.674 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cnn(CC2CCCC2)c1 ZINC000910967112 1039165630 /nfs/dbraw/zinc/16/56/30/1039165630.db2.gz WBENUXMIHGJGOF-UHFFFAOYSA-N -1 0 341.411 3.586 20 0 EHADRM CCCC(=CC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)CC1)CCC ZINC000911023069 1039189404 /nfs/dbraw/zinc/18/94/04/1039189404.db2.gz VDVPCTCZAXVKGG-UHFFFAOYSA-N -1 0 335.366 3.769 20 0 EHADRM C[C@H]1CSC[C@@H]1N=c1[n-]c(C(F)(F)F)c(Br)s1 ZINC000418975983 1039192618 /nfs/dbraw/zinc/19/26/18/1039192618.db2.gz ULBUUOIKTSGVTG-WHFBIAKZSA-N -1 0 347.225 3.510 20 0 EHADRM c1ccc(OCC2CC2)c(CN=c2[n-]nc(C3CCCCC3)o2)c1 ZINC000554320378 1039204925 /nfs/dbraw/zinc/20/49/25/1039204925.db2.gz WYTFKCQAEATKNQ-UHFFFAOYSA-N -1 0 327.428 3.940 20 0 EHADRM COc1ccc(C(=O)N=c2[n-]nc(C(C)(C)C)s2)c2ccccc12 ZINC000615153656 1039213015 /nfs/dbraw/zinc/21/30/15/1039213015.db2.gz WNVRJIQLSHWIDS-UHFFFAOYSA-N -1 0 341.436 3.672 20 0 EHADRM O=C(/C=C/c1cc(C(=O)[O-])co1)Nc1ccccc1N1CCCCC1 ZINC000911092523 1039230142 /nfs/dbraw/zinc/23/01/42/1039230142.db2.gz RAECRXYDARFANX-CMDGGOBGSA-N -1 0 340.379 3.620 20 0 EHADRM CC(C)c1ccc(-c2nc(C(=O)N[C@@H](C)CCC(=O)[O-])cs2)cc1 ZINC000236786495 1039255056 /nfs/dbraw/zinc/25/50/56/1039255056.db2.gz JHCDRUVQXKCOMN-LBPRGKRZSA-N -1 0 346.452 3.917 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cccc(SC)c2C)c(F)c1 ZINC000480193294 1039297808 /nfs/dbraw/zinc/29/78/08/1039297808.db2.gz RDCFYXOIFMDGKZ-UHFFFAOYSA-N -1 0 341.429 3.665 20 0 EHADRM CC[C@@H]1C[C@H]1C(=O)N(Cc1ccoc1C(=O)[O-])[C@H](C)c1ccccn1 ZINC000911329900 1039324559 /nfs/dbraw/zinc/32/45/59/1039324559.db2.gz QDSWLAXKROPNCF-UMVBOHGHSA-N -1 0 342.395 3.509 20 0 EHADRM O=C([O-])c1coc(N2CCC[C@@H]2c2ccccc2C(F)(F)F)n1 ZINC000906152920 1039346298 /nfs/dbraw/zinc/34/62/98/1039346298.db2.gz PKNTUCDAJOJYIK-GFCCVEGCSA-N -1 0 326.274 3.733 20 0 EHADRM Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)c1cc(C(=O)[O-])cnc1C ZINC000911400892 1039354196 /nfs/dbraw/zinc/35/41/96/1039354196.db2.gz ZTGHUOURZFAZHJ-KRWDZBQOSA-N -1 0 342.370 3.513 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N(CC)CCc2ccccc2)s1 ZINC000509758936 1039369782 /nfs/dbraw/zinc/36/97/82/1039369782.db2.gz ASGXOEDYGDNLPV-UHFFFAOYSA-N -1 0 346.500 3.960 20 0 EHADRM C[C@H](CCOc1ccccc1)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000237479469 1039370929 /nfs/dbraw/zinc/37/09/29/1039370929.db2.gz SVKSEXDWNRVNQZ-SAAWKEMMSA-N -1 0 339.391 3.828 20 0 EHADRM CC(C)(Cc1ccc(-c2ccc([C@H]3CCC(=O)N3)cc2)cc1)C(=O)[O-] ZINC000906206563 1039382949 /nfs/dbraw/zinc/38/29/49/1039382949.db2.gz QTPMTLRSMQESAB-GOSISDBHSA-N -1 0 337.419 3.958 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)N1CCc2sccc2C1)C1CCCCC1 ZINC000237575450 1039391465 /nfs/dbraw/zinc/39/14/65/1039391465.db2.gz FXOXJVBCABTFOI-SFHVURJKSA-N -1 0 335.469 3.694 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)CCc1cccc(F)c1F ZINC000237584255 1039391821 /nfs/dbraw/zinc/39/18/21/1039391821.db2.gz OAFRXAMXKUCJSO-MRXNPFEDSA-N -1 0 347.361 3.538 20 0 EHADRM C[N@H+](Cc1ccc(C(=O)[O-])o1)Cc1ccc(OC(F)(F)F)cc1 ZINC000584637841 1039399494 /nfs/dbraw/zinc/39/94/94/1039399494.db2.gz FBJHGFXXHSOOJQ-UHFFFAOYSA-N -1 0 329.274 3.508 20 0 EHADRM CCC(C)(C)c1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccncc2)cc1 ZINC000911661455 1039445348 /nfs/dbraw/zinc/44/53/48/1039445348.db2.gz ANPTUTXRXVVJBT-KRWDZBQOSA-N -1 0 340.423 3.715 20 0 EHADRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccncc1)C1CCC(C)CC1 ZINC000911665190 1039447051 /nfs/dbraw/zinc/44/70/51/1039447051.db2.gz ZLHXEQUYHUAVCJ-LCSXWQTCSA-N -1 0 332.444 3.566 20 0 EHADRM Cn1ccnc1[C@H](N=c1nc(-c2ccccc2)[n-]s1)c1ccccc1 ZINC000552697138 1039461190 /nfs/dbraw/zinc/46/11/90/1039461190.db2.gz SYPPBEJKUVNEFJ-MRXNPFEDSA-N -1 0 347.447 3.562 20 0 EHADRM Cc1cc(F)c(NC(=O)[C@H]2CCCc3sccc32)cc1C(=O)[O-] ZINC000911688437 1039462754 /nfs/dbraw/zinc/46/27/54/1039462754.db2.gz HBCWSYHGZLTESN-NSHDSACASA-N -1 0 333.384 3.952 20 0 EHADRM CC(C)(C)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1onc(C2CC2)c1Cl ZINC001212132037 1039464259 /nfs/dbraw/zinc/46/42/59/1039464259.db2.gz OVPZEIYISMEGHF-MNOVXSKESA-N -1 0 346.880 3.699 20 0 EHADRM CCC[C@H]1C[C@H](C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)CCO1 ZINC000911738378 1039479460 /nfs/dbraw/zinc/47/94/60/1039479460.db2.gz REXVWSIPFOLGKW-KGLIPLIRSA-N -1 0 349.427 3.706 20 0 EHADRM CC(C)Oc1c(NC(=O)c2csc(C3CC3)n2)cccc1C(=O)[O-] ZINC000911739823 1039480570 /nfs/dbraw/zinc/48/05/70/1039480570.db2.gz XWUGVOWBZZUCDA-UHFFFAOYSA-N -1 0 346.408 3.758 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000911741792 1039480986 /nfs/dbraw/zinc/48/09/86/1039480986.db2.gz DFQOXKBDMPUSSP-BJWYYQGGSA-N -1 0 329.440 3.815 20 0 EHADRM CCc1cc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])sc1C ZINC000485737992 1039489605 /nfs/dbraw/zinc/48/96/05/1039489605.db2.gz NCLTTWMAZRYHIF-CYBMUJFWSA-N -1 0 345.464 3.982 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1ccc(Oc2ccccc2)nc1 ZINC000238132073 1039497204 /nfs/dbraw/zinc/49/72/04/1039497204.db2.gz WMNAXNYDDSEJDN-UHFFFAOYSA-N -1 0 342.395 3.639 20 0 EHADRM CC(C)[C@H](CC(=O)[N-]S(=O)(=O)C1CCCCC1)c1ccccc1 ZINC000728770557 1039518086 /nfs/dbraw/zinc/51/80/86/1039518086.db2.gz RSFGMLFRLREYAB-KRWDZBQOSA-N -1 0 337.485 3.595 20 0 EHADRM CCCn1ccc2cc(NC(=O)N3CCCC[C@@H]3C(=O)[O-])ccc21 ZINC000554602485 1039528243 /nfs/dbraw/zinc/52/82/43/1039528243.db2.gz KGUJGLXMXXUFDB-MRXNPFEDSA-N -1 0 329.400 3.522 20 0 EHADRM Cc1cc(Nc2ccc(OCC(F)(F)F)nc2)ccc1C(=O)[O-] ZINC001211653024 1039535634 /nfs/dbraw/zinc/53/56/34/1039535634.db2.gz XITHYBPMXZMDBA-UHFFFAOYSA-N -1 0 326.274 3.773 20 0 EHADRM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(F)cc2C)n[nH]1 ZINC000485880317 1039645348 /nfs/dbraw/zinc/64/53/48/1039645348.db2.gz IOEYNWNQTPZCDM-UHFFFAOYSA-N -1 0 345.399 3.633 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)N=c1[n-]nc(C(C)(C)C)s1 ZINC000480643975 1039798937 /nfs/dbraw/zinc/79/89/37/1039798937.db2.gz NFXDJJRRHKUQCH-UHFFFAOYSA-N -1 0 328.441 3.608 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(Br)c(C)cc2C)o1 ZINC000486113485 1039894471 /nfs/dbraw/zinc/89/44/71/1039894471.db2.gz DFUZHNITHFFZCP-UHFFFAOYSA-N -1 0 344.230 3.768 20 0 EHADRM CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1c(C)cccc1F ZINC000479083898 1039935932 /nfs/dbraw/zinc/93/59/32/1039935932.db2.gz GPHSKNQAPZCCAP-UHFFFAOYSA-N -1 0 347.415 3.695 20 0 EHADRM CCOc1ccc(S(=O)(=O)Nc2cccc(CC)c2)cc1OCC ZINC000007927777 1039944515 /nfs/dbraw/zinc/94/45/15/1039944515.db2.gz QNNJHASWPXSBBX-UHFFFAOYSA-N -1 0 349.452 3.847 20 0 EHADRM C[C@@H]1CC(CCN=c2[n-]nc(Cc3ccc(F)cc3)s2)C[C@@H](C)O1 ZINC000554933906 1039950058 /nfs/dbraw/zinc/95/00/58/1039950058.db2.gz VPNAWHUBVCCVOF-CHWSQXEVSA-N -1 0 349.475 3.696 20 0 EHADRM CC(C)c1cnc(CN[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])s1 ZINC000417558329 1040000508 /nfs/dbraw/zinc/00/05/08/1040000508.db2.gz UTKKNSBAMUPANE-OAHLLOKOSA-N -1 0 343.452 3.533 20 0 EHADRM CC(C)c1cnc(CN[C@@H](CCCc2ccccc2)C(=O)[O-])s1 ZINC000417560700 1040003589 /nfs/dbraw/zinc/00/35/89/1040003589.db2.gz AKNYNHRWMCBERT-HNNXBMFYSA-N -1 0 332.469 3.832 20 0 EHADRM Cc1ccc(N=c2nc(C(F)(F)F)[n-]s2)cc1OCC(F)F ZINC000553378989 1040021648 /nfs/dbraw/zinc/02/16/48/1040021648.db2.gz OIXFRCKXQCTUAK-UHFFFAOYSA-N -1 0 339.289 3.675 20 0 EHADRM Cc1ccc(-c2n[nH]cc2CNc2ccc(CCCC(=O)[O-])cc2)o1 ZINC000417583968 1040032994 /nfs/dbraw/zinc/03/29/94/1040032994.db2.gz LPFOKUQEIITLST-UHFFFAOYSA-N -1 0 339.395 3.998 20 0 EHADRM O=C([O-])CCCc1ccc(NCc2ccc(N3CCCC3)nc2)cc1 ZINC000417589022 1040041783 /nfs/dbraw/zinc/04/17/83/1040041783.db2.gz UZBZSFNEKWAKRN-UHFFFAOYSA-N -1 0 339.439 3.701 20 0 EHADRM CC(=O)Nc1ccc(CNc2cccc(C(=O)[O-])c2OC(C)C)cc1 ZINC000417595719 1040050475 /nfs/dbraw/zinc/05/04/75/1040050475.db2.gz YDVJLFOPXPCVLK-UHFFFAOYSA-N -1 0 342.395 3.743 20 0 EHADRM CCCc1ccc(C(=O)CCC(=O)NOCc2cccc(C)n2)cc1 ZINC000912631218 1040050825 /nfs/dbraw/zinc/05/08/25/1040050825.db2.gz NQZIUMGKPJIDSN-UHFFFAOYSA-N -1 0 340.423 3.553 20 0 EHADRM CC[C@H](Cc1ccc(NCc2cc(OC)cc(C)n2)cc1)C(=O)[O-] ZINC000417606990 1040057217 /nfs/dbraw/zinc/05/72/17/1040057217.db2.gz FMNKIIRVPQMNIH-OAHLLOKOSA-N -1 0 328.412 3.664 20 0 EHADRM CC[C@H](Cc1ccc(NCc2ccc3c(c2)ncn3C)cc1)C(=O)[O-] ZINC000417607063 1040057344 /nfs/dbraw/zinc/05/73/44/1040057344.db2.gz FXNNUAJKSWBCDB-MRXNPFEDSA-N -1 0 337.423 3.839 20 0 EHADRM O=S(=O)([N-]c1ccnc(-c2ccccc2)c1)c1ccccc1F ZINC000479252982 1040072981 /nfs/dbraw/zinc/07/29/81/1040072981.db2.gz WXQNMLNCMVGENZ-UHFFFAOYSA-N -1 0 328.368 3.689 20 0 EHADRM C[C@@H](CC(=O)[O-])c1ccc(NCc2ccc([S@](C)=O)cc2)cc1 ZINC000417611178 1040078315 /nfs/dbraw/zinc/07/83/15/1040078315.db2.gz OKBCMVVYUHKBEN-NPMABZOXSA-N -1 0 331.437 3.614 20 0 EHADRM COc1cc(CNc2ccccc2CCCC(=O)[O-])cc(OC)c1 ZINC000417631102 1040088907 /nfs/dbraw/zinc/08/89/07/1040088907.db2.gz XGPMNLOMTZNLFD-UHFFFAOYSA-N -1 0 329.396 3.723 20 0 EHADRM C[C@@H](Cc1ccncc1)N=c1[n-]nc(Cc2ccc(Cl)cc2)s1 ZINC000489609566 1040102961 /nfs/dbraw/zinc/10/29/61/1040102961.db2.gz SATNMDZWNDKUTM-LBPRGKRZSA-N -1 0 344.871 3.642 20 0 EHADRM Cc1ccc(C[C@H](NCc2ncc(C(C)C)s2)C(=O)[O-])cc1C ZINC000417654138 1040132609 /nfs/dbraw/zinc/13/26/09/1040132609.db2.gz RNHAYLZROKUXFD-HNNXBMFYSA-N -1 0 332.469 3.669 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(Cl)c3occc32)[C@H]2CCC[C@H]21 ZINC000907735191 1040150128 /nfs/dbraw/zinc/15/01/28/1040150128.db2.gz GMKJIZAWYJGJNA-ZBINZKHDSA-N -1 0 347.798 3.802 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)c2ccc(F)c3ccccc23)s[n-]1 ZINC000479367887 1040169503 /nfs/dbraw/zinc/16/95/03/1040169503.db2.gz PYBWYRSUTKPUHZ-UHFFFAOYSA-N -1 0 329.400 3.802 20 0 EHADRM Cc1cc(F)ccc1[C@@H](C)NC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC000907785460 1040170519 /nfs/dbraw/zinc/17/05/19/1040170519.db2.gz NAXSWPZXRFARMI-ASUYLVSUSA-N -1 0 341.382 3.570 20 0 EHADRM CCSc1ccc(Cl)cc1[N-]S(=O)(=O)C[C@@H](OC)C1CC1 ZINC000575401330 1040179793 /nfs/dbraw/zinc/17/97/93/1040179793.db2.gz UGFJDMPPYSCOLU-CYBMUJFWSA-N -1 0 349.905 3.619 20 0 EHADRM O=C([O-])[C@]12C[C@H]1CCCN2C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000899237799 1040224543 /nfs/dbraw/zinc/22/45/43/1040224543.db2.gz AYVRGXUYLOTUGH-UZLBHIALSA-N -1 0 336.391 3.825 20 0 EHADRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)c3sccc3-c3ccccc3)[C@@H]2C1 ZINC000907924607 1040234690 /nfs/dbraw/zinc/23/46/90/1040234690.db2.gz JRYSSQNUFRILPQ-CLWVCHIJSA-N -1 0 341.432 3.644 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N[C@@H]3C[C@@H]4C[C@@H](C(=O)[O-])C[C@H]34)[nH]c2c1 ZINC000907928476 1040234921 /nfs/dbraw/zinc/23/49/21/1040234921.db2.gz BPOILSHPUASGJR-QSJFSLAZSA-N -1 0 340.423 3.520 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@H]12 ZINC000907943871 1040239307 /nfs/dbraw/zinc/23/93/07/1040239307.db2.gz FSWYSOPFDGOOLQ-TXFQPVFDSA-N -1 0 347.411 3.578 20 0 EHADRM CC(C)(C)Oc1cccc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)c1 ZINC000907970860 1040252359 /nfs/dbraw/zinc/25/23/59/1040252359.db2.gz NJQGUNPPDHSTGI-UHFFFAOYSA-N -1 0 331.412 3.838 20 0 EHADRM Cc1nc(-c2cccc(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)c2)cs1 ZINC000908018973 1040266418 /nfs/dbraw/zinc/26/64/18/1040266418.db2.gz OCKKKKMEOGSJFP-OAHLLOKOSA-N -1 0 346.452 3.738 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C ZINC000908019299 1040266897 /nfs/dbraw/zinc/26/68/97/1040266897.db2.gz VRDAQZVSZNGWKU-AWEZNQCLSA-N -1 0 349.452 3.915 20 0 EHADRM Cc1oc2ccccc2c1CCN=c1[n-]nc(C2CCOCC2)s1 ZINC000555193235 1040267092 /nfs/dbraw/zinc/26/70/92/1040267092.db2.gz CJYJSZDOGQOHDY-UHFFFAOYSA-N -1 0 343.452 3.563 20 0 EHADRM Cc1occ(C(F)(F)F)c1C(=O)N(C)c1cccc(CC(=O)[O-])c1 ZINC000908084333 1040281374 /nfs/dbraw/zinc/28/13/74/1040281374.db2.gz IOZFLBDJNCAGGI-UHFFFAOYSA-N -1 0 341.285 3.511 20 0 EHADRM CN(C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)c1cccc(CC(=O)[O-])c1 ZINC000908079111 1040289709 /nfs/dbraw/zinc/28/97/09/1040289709.db2.gz HREGXRREPIGQMS-QZTJIDSGSA-N -1 0 337.419 3.860 20 0 EHADRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)c(F)c1 ZINC000189773598 1040290273 /nfs/dbraw/zinc/29/02/73/1040290273.db2.gz QRFFCOAKNDLQPU-UHFFFAOYSA-N -1 0 344.220 3.711 20 0 EHADRM CN(C(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1)c1cccc(CC(=O)[O-])c1 ZINC000908078589 1040291102 /nfs/dbraw/zinc/29/11/02/1040291102.db2.gz DKCAVGARIYTFMS-ZWKOTPCHSA-N -1 0 341.382 3.609 20 0 EHADRM CC(C)(C)c1cnc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])s1 ZINC000899311473 1040310667 /nfs/dbraw/zinc/31/06/67/1040310667.db2.gz NSOSRUAAYFCVGJ-LLVKDONJSA-N -1 0 339.461 3.692 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)c(F)c1 ZINC000479545668 1040356629 /nfs/dbraw/zinc/35/66/29/1040356629.db2.gz WJNYQDWOJBQWBF-NEPJUHHUSA-N -1 0 335.281 3.544 20 0 EHADRM C[C@@H]1CCC[C@H](CNC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)[C@H]1C ZINC000479564678 1040386768 /nfs/dbraw/zinc/38/67/68/1040386768.db2.gz GRWKXDIVNWYXIR-ASKKUZCQSA-N -1 0 331.456 3.608 20 0 EHADRM O=C(C[C@H]1C=CCCC1)N=c1nc(Cc2ccc(F)cc2F)[n-]s1 ZINC000490204147 1040386865 /nfs/dbraw/zinc/38/68/65/1040386865.db2.gz QHJGVJMODMRADB-NSHDSACASA-N -1 0 349.406 3.514 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1cscc1C(F)(F)F)CC1CCCC1 ZINC000908292619 1040387970 /nfs/dbraw/zinc/38/79/70/1040387970.db2.gz QXJNHYSDUGNLTK-SNVBAGLBSA-N -1 0 349.374 3.778 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1cscc1C(F)(F)F)CC1CCCC1 ZINC000908292617 1040388613 /nfs/dbraw/zinc/38/86/13/1040388613.db2.gz QXJNHYSDUGNLTK-JTQLQIEISA-N -1 0 349.374 3.778 20 0 EHADRM Cc1ccc(C(C)(C)C(=O)NCCCCC2(C(=O)[O-])CCC2)cc1 ZINC000908340158 1040401613 /nfs/dbraw/zinc/40/16/13/1040401613.db2.gz AIWHFAKCHNFRIL-UHFFFAOYSA-N -1 0 331.456 3.814 20 0 EHADRM CCCCC[C@H]1CCCN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000486747312 1040402388 /nfs/dbraw/zinc/40/23/88/1040402388.db2.gz SUWXWOCAYSXBPS-HNNXBMFYSA-N -1 0 327.428 3.763 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)c2ccccc2C(F)(F)F)CCC1 ZINC000908352451 1040406895 /nfs/dbraw/zinc/40/68/95/1040406895.db2.gz RUGFYIIIQFHDBR-UHFFFAOYSA-N -1 0 343.345 3.860 20 0 EHADRM Cc1ccc2cc(Cl)cc(C(=O)N[C@@H]3CC[C@H](CC(=O)[O-])C3)c2n1 ZINC000908374812 1040419989 /nfs/dbraw/zinc/41/99/89/1040419989.db2.gz WUIVNHFACUUIDI-SMDDNHRTSA-N -1 0 346.814 3.570 20 0 EHADRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1 ZINC000908384218 1040424306 /nfs/dbraw/zinc/42/43/06/1040424306.db2.gz QVTXUINTDDTDLX-CMPLNLGQSA-N -1 0 334.803 3.503 20 0 EHADRM C[C@@H](c1ccc(C(=O)N[C@@H]2CC[C@H](CC(=O)[O-])C2)cc1)C(F)(F)F ZINC000908383218 1040425433 /nfs/dbraw/zinc/42/54/33/1040425433.db2.gz LXQUFAWBJDZDSN-COPLHBTASA-N -1 0 343.345 3.726 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1nc(F)ccc1Br ZINC001174983398 1132534846 /nfs/dbraw/zinc/53/48/46/1132534846.db2.gz LILZIIFITNCBBE-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)Nc1cccc(C(=O)[O-])c1OC ZINC000908500575 1040484668 /nfs/dbraw/zinc/48/46/68/1040484668.db2.gz IRZGXKOMOIKENC-UHFFFAOYSA-N -1 0 345.399 3.512 20 0 EHADRM CSc1nc(C(C)C)nc(C)c1C(=O)Nc1cccc(F)c1O ZINC000628960428 1040500543 /nfs/dbraw/zinc/50/05/43/1040500543.db2.gz BOSYBTHJQUFEFN-UHFFFAOYSA-N -1 0 335.404 3.727 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)Nc2nc(CC(=O)[O-])cs2)c1 ZINC000908583827 1040512414 /nfs/dbraw/zinc/51/24/14/1040512414.db2.gz YQGJVDLCBQYRAI-GFCCVEGCSA-N -1 0 346.452 3.711 20 0 EHADRM Cc1cscc1NC(=O)N1c2ccccc2C[C@@H](C)[C@H]1C(=O)[O-] ZINC000908626284 1040536151 /nfs/dbraw/zinc/53/61/51/1040536151.db2.gz WJGDKIJLDKEHIV-BMIGLBTASA-N -1 0 330.409 3.740 20 0 EHADRM C/C=C\C[C@H](NC(=O)Nc1cccc(COC(C)(C)C)c1)C(=O)[O-] ZINC000908634391 1040541006 /nfs/dbraw/zinc/54/10/06/1040541006.db2.gz IBJBAXRSDFSWBI-YVACAVLKSA-N -1 0 334.416 3.543 20 0 EHADRM CCN(CC(=O)[O-])C(=O)/C=C/c1cc(C)n(C2CCCCC2)c1C ZINC000236964995 1040550122 /nfs/dbraw/zinc/55/01/22/1040550122.db2.gz LMDBTIUPLHRTPX-ZHACJKMWSA-N -1 0 332.444 3.556 20 0 EHADRM CN(C(=O)Nc1nc(C2CCC2)cs1)[C@H](C(=O)[O-])c1ccccc1 ZINC000908680702 1040570791 /nfs/dbraw/zinc/57/07/91/1040570791.db2.gz ZTZBWNJUZNOMKC-AWEZNQCLSA-N -1 0 345.424 3.700 20 0 EHADRM CN(Cc1ccccc1Cl)C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000908698332 1040581402 /nfs/dbraw/zinc/58/14/02/1040581402.db2.gz TYKJWFPAJTWRQF-UHFFFAOYSA-N -1 0 335.831 3.724 20 0 EHADRM CCCn1ncc([N-]c2nc(C3CCOCC3)ns2)c1C1CC1 ZINC000663954861 1040589741 /nfs/dbraw/zinc/58/97/41/1040589741.db2.gz DFMSOSGHIJHGKU-UHFFFAOYSA-N -1 0 333.461 3.660 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000908741690 1040622414 /nfs/dbraw/zinc/62/24/14/1040622414.db2.gz GCWDYGRNUGPHOR-OCCSQVGLSA-N -1 0 337.828 3.718 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CCC[C@@H](c2ccccc2)CC1 ZINC000908776776 1040633720 /nfs/dbraw/zinc/63/37/20/1040633720.db2.gz TZOYYEUBYSVRLC-OAHLLOKOSA-N -1 0 327.380 3.696 20 0 EHADRM CC(C)OCc1cccc(NC(=O)c2ccccc2CCC(=O)[O-])c1 ZINC000908764237 1040639347 /nfs/dbraw/zinc/63/93/47/1040639347.db2.gz VCPRXHBUGULTKO-UHFFFAOYSA-N -1 0 341.407 3.881 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3CCCC4(CCCCC4)C3)(CC1)CC2 ZINC000908800192 1040656076 /nfs/dbraw/zinc/65/60/76/1040656076.db2.gz OPLJYPIAQJLCRO-UHFFFAOYSA-N -1 0 333.472 3.985 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1C[C@H](c2ccccc2C)C[C@H]1C ZINC000908819005 1040666663 /nfs/dbraw/zinc/66/66/63/1040666663.db2.gz AGEMWSNRUQEZPL-ZIAGYGMSSA-N -1 0 327.380 3.613 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)c2ccoc2CC(=O)[O-])c1C ZINC000908822655 1040668271 /nfs/dbraw/zinc/66/82/71/1040668271.db2.gz DRQPIXCPVWYBCP-MRXNPFEDSA-N -1 0 327.380 3.501 20 0 EHADRM O=C(N[C@@H]1CCCC12CCOCC2)c1cc(Cl)cc(Cl)c1[O-] ZINC001625920874 1040672314 /nfs/dbraw/zinc/67/23/14/1040672314.db2.gz VCECAXJUOLLONQ-CYBMUJFWSA-N -1 0 344.238 3.778 20 0 EHADRM CC(C)(CC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1)CC(F)F ZINC000908882936 1040700204 /nfs/dbraw/zinc/70/02/04/1040700204.db2.gz RTBVIOUPTKMDBU-UHFFFAOYSA-N -1 0 347.789 3.825 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2F)c(C)c1 ZINC000569700011 1040706683 /nfs/dbraw/zinc/70/66/83/1040706683.db2.gz WUECBVYOJHOXQD-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM COCCC[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000909006170 1040738870 /nfs/dbraw/zinc/73/88/70/1040738870.db2.gz JVDZXVQBAUIAER-RHSMWYFYSA-N -1 0 349.471 3.679 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)c2ccc3oc(=O)nc-3[n-]2)c1C ZINC000669116923 1040878556 /nfs/dbraw/zinc/87/85/56/1040878556.db2.gz HBSXCKGZSVTZEA-OAHLLOKOSA-N -1 0 337.379 3.523 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(-c3ccccc3F)on2)c1 ZINC000433140333 1040888578 /nfs/dbraw/zinc/88/85/78/1040888578.db2.gz GOKHSJUCYYGJOZ-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM CC1(C)COc2ccc(-c3ccc4c(c3)[C@@H](CC(=O)[O-])C(=O)N4)cc21 ZINC000899640419 1040907172 /nfs/dbraw/zinc/90/71/72/1040907172.db2.gz HJUHYVNNARAMCZ-CQSZACIVSA-N -1 0 337.375 3.534 20 0 EHADRM Cc1sc(CC(=O)Nc2ccc(C)c(C(=O)[O-])c2)nc1C(C)C ZINC000909295178 1040913873 /nfs/dbraw/zinc/91/38/73/1040913873.db2.gz RCUJTPDIIBDXAR-UHFFFAOYSA-N -1 0 332.425 3.763 20 0 EHADRM Cc1ccc(-c2c[nH]cc2C(=O)N2CC[C@@](C(=O)[O-])(C(C)C)C2)s1 ZINC000909700311 1040942253 /nfs/dbraw/zinc/94/22/53/1040942253.db2.gz WWZIFDOQXUZZJJ-SFHVURJKSA-N -1 0 346.452 3.625 20 0 EHADRM CC[C@H](c1n[n-]c(=NC(=O)N2CC[C@@H]2CC)s1)c1ccccc1 ZINC000433175841 1040983704 /nfs/dbraw/zinc/98/37/04/1040983704.db2.gz PIMYGEGWVMITFZ-KBPBESRZSA-N -1 0 330.457 3.518 20 0 EHADRM O=C(N=c1[n-]nc(-c2cccc(Cl)c2)s1)NC(C1CC1)C1CC1 ZINC000481509992 1041005686 /nfs/dbraw/zinc/00/56/86/1041005686.db2.gz OMVHWKWDEJITLU-UHFFFAOYSA-N -1 0 348.859 3.591 20 0 EHADRM Cc1nc(CC(C)C)oc1C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000909835155 1041030956 /nfs/dbraw/zinc/03/09/56/1041030956.db2.gz DRVPEVBTOBZVFM-LLVKDONJSA-N -1 0 330.384 3.622 20 0 EHADRM CCC(C)(C)c1ccc(C(=O)N[C@@H](CC2(OC)CCC2)C(=O)[O-])cc1 ZINC000909892195 1041054902 /nfs/dbraw/zinc/05/49/02/1041054902.db2.gz BQVUXZVJSQENRT-INIZCTEOSA-N -1 0 347.455 3.516 20 0 EHADRM Cc1ccnc(-c2cccc(NC(=O)[C@H](CC(=O)[O-])CC(C)C)c2)n1 ZINC000899769902 1041084047 /nfs/dbraw/zinc/08/40/47/1041084047.db2.gz IQUXESMAJFGILS-HNNXBMFYSA-N -1 0 341.411 3.528 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000899769635 1041084140 /nfs/dbraw/zinc/08/41/40/1041084140.db2.gz FMOPAGQLILHKRM-BEFAXECRSA-N -1 0 340.379 3.559 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2C[C@@H]2C2CCCC2)cc1 ZINC000652061338 1041085368 /nfs/dbraw/zinc/08/53/68/1041085368.db2.gz AMHILWQXMFLBGL-IKGGRYGDSA-N -1 0 347.480 3.867 20 0 EHADRM C[C@H](c1ccc(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)cc1)C(F)(F)F ZINC000909967780 1041085913 /nfs/dbraw/zinc/08/59/13/1041085913.db2.gz FXUYIMXXRJAFCI-QMTHXVAHSA-N -1 0 343.345 3.583 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000899762029 1041088443 /nfs/dbraw/zinc/08/84/43/1041088443.db2.gz MLSNOHOCRJTCSJ-YJBOKZPZSA-N -1 0 329.396 3.622 20 0 EHADRM Cc1ccc(-c2cccnc2)cc1NC(=O)[C@@H]1C[C@]1(C(=O)[O-])C(C)C ZINC000899778999 1041103262 /nfs/dbraw/zinc/10/32/62/1041103262.db2.gz LZAPXTQPIVESRZ-JXFKEZNVSA-N -1 0 338.407 3.742 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)N2CC(C3CCCC3)C2)s[n-]1 ZINC000555753353 1041107604 /nfs/dbraw/zinc/10/76/04/1041107604.db2.gz KOUULUQOCXHJSU-UHFFFAOYSA-N -1 0 348.497 3.651 20 0 EHADRM Cc1ccc([C@H](CC(=O)Nc2cccc(OCCF)c2)C(=O)[O-])cc1 ZINC000899773777 1041109694 /nfs/dbraw/zinc/10/96/94/1041109694.db2.gz NQCBJMUCVXKRFP-KRWDZBQOSA-N -1 0 345.370 3.540 20 0 EHADRM CCC(=O)c1cccc(NC(=O)C[C@@H](C(=O)[O-])c2ccc(C)cc2)c1 ZINC000899775203 1041113138 /nfs/dbraw/zinc/11/31/38/1041113138.db2.gz KHMHTKHYLHRAQT-QGZVFWFLSA-N -1 0 339.391 3.785 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccccc1OCCc1ccccc1 ZINC000570942884 1041123191 /nfs/dbraw/zinc/12/31/91/1041123191.db2.gz WQZFLAOBWXRPRL-HNNXBMFYSA-N -1 0 341.407 3.748 20 0 EHADRM CC[C@@H](CNC(=O)C[C@@H](C(=O)[O-])c1ccc(C)cc1)CC(F)(F)F ZINC000899789839 1041128916 /nfs/dbraw/zinc/12/89/16/1041128916.db2.gz XYBIAUMMXSSEQI-TZMCWYRMSA-N -1 0 345.361 3.648 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)NCc1ccsc1C(F)(F)F ZINC000899795546 1041146653 /nfs/dbraw/zinc/14/66/53/1041146653.db2.gz XTRRKGKQLRWQBH-SNVBAGLBSA-N -1 0 337.363 3.520 20 0 EHADRM COc1ccc(C(C)=O)c(Nc2ccc(C(=O)[O-])c(C)c2)c1OC ZINC001211657656 1041151365 /nfs/dbraw/zinc/15/13/65/1041151365.db2.gz UTPNHWUDYKHQQG-UHFFFAOYSA-N -1 0 329.352 3.657 20 0 EHADRM Cc1ccc([C@H](CC(=O)N[C@H](C(C)(C)C)C(F)(F)F)C(=O)[O-])cc1 ZINC000899812106 1041158630 /nfs/dbraw/zinc/15/86/30/1041158630.db2.gz MOEKWVGABAYHTA-SWLSCSKDSA-N -1 0 345.361 3.647 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)c1cscc1C(F)F)C2 ZINC000910071848 1041177355 /nfs/dbraw/zinc/17/73/55/1041177355.db2.gz ZOHLSYWUGLDULB-UHFFFAOYSA-N -1 0 337.347 3.582 20 0 EHADRM Cc1ccc(C)c(C(=O)N[C@@H](C)c2ccc(F)cc2C)c1C(=O)[O-] ZINC000899834913 1041181629 /nfs/dbraw/zinc/18/16/29/1041181629.db2.gz CMJVDXORYLDAAH-ZDUSSCGKSA-N -1 0 329.371 3.940 20 0 EHADRM CC[C@@H]1CCCC[C@H]1C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])cs1 ZINC000910100998 1041189509 /nfs/dbraw/zinc/18/95/09/1041189509.db2.gz GDJCGLXLGJTXIG-BZPMIXESSA-N -1 0 336.457 3.721 20 0 EHADRM Cc1ccccc1[C@@H](C)C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])cs1 ZINC000910103877 1041192258 /nfs/dbraw/zinc/19/22/58/1041192258.db2.gz OYTNIJUNWFTATL-IUODEOHRSA-N -1 0 344.436 3.617 20 0 EHADRM CC1(C)CCCC[C@@H]1C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])cs1 ZINC000910108027 1041192312 /nfs/dbraw/zinc/19/23/12/1041192312.db2.gz FCCQSQVBZZCHTD-YPMHNXCESA-N -1 0 336.457 3.721 20 0 EHADRM CC1(CC(=O)N2CCC[C@H]2c2nc(C(=O)[O-])cs2)CCCCC1 ZINC000910102646 1041192345 /nfs/dbraw/zinc/19/23/45/1041192345.db2.gz KQKKEXMALCUDCM-ZDUSSCGKSA-N -1 0 336.457 3.865 20 0 EHADRM C/C(=C\C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])cs1)c1ccccc1 ZINC000910111378 1041194546 /nfs/dbraw/zinc/19/45/46/1041194546.db2.gz DLGHHGFEFYUYCF-PABFRNLHSA-N -1 0 342.420 3.608 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)C1=C(C(=O)[O-])CCCC1)C(C)(C)C ZINC000899853707 1041214676 /nfs/dbraw/zinc/21/46/76/1041214676.db2.gz ZAOACBURFCFZSS-MRXNPFEDSA-N -1 0 330.428 3.549 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000237532704 1041224199 /nfs/dbraw/zinc/22/41/99/1041224199.db2.gz SVUIVFRYYVKREH-AWEZNQCLSA-N -1 0 343.448 3.962 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)N2CC[C@@H](C)C[C@@H]2C(=O)[O-])c1 ZINC000555851970 1041225105 /nfs/dbraw/zinc/22/51/05/1041225105.db2.gz SBVNIYWXZWYDCX-RHSMWYFYSA-N -1 0 348.443 3.829 20 0 EHADRM C/C=C/C[C@H](NC(=O)Nc1ccc(SC)c(Cl)c1)C(=O)[O-] ZINC000555851185 1041225169 /nfs/dbraw/zinc/22/51/69/1041225169.db2.gz MKSNSGUFYRMYKE-UFFNRZRYSA-N -1 0 328.821 3.603 20 0 EHADRM C[C@H](C(=O)[O-])N(C)C(=O)Nc1ccc(OCC2CCCCC2)cc1 ZINC000555851136 1041225344 /nfs/dbraw/zinc/22/53/44/1041225344.db2.gz JKQJETDSDLRPBL-CYBMUJFWSA-N -1 0 334.416 3.583 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccc(OC3CCCC3)cc2)[C@H](C(=O)[O-])C1 ZINC000555852342 1041225962 /nfs/dbraw/zinc/22/59/62/1041225962.db2.gz DLFVVSGNVUODJI-GUYCJALGSA-N -1 0 346.427 3.725 20 0 EHADRM C[C@@H](C(=O)[O-])N(C)C(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000054051828 1041262129 /nfs/dbraw/zinc/26/21/29/1041262129.db2.gz KCBQWMKIQMOUNW-LURJTMIESA-N -1 0 332.208 3.753 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N2CCCC[C@@H]2CC(C)C)s1 ZINC000467220377 1041384913 /nfs/dbraw/zinc/38/49/13/1041384913.db2.gz WLYCDNRPYSGZSD-LLVKDONJSA-N -1 0 328.507 3.505 20 0 EHADRM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC000511699406 1041476864 /nfs/dbraw/zinc/47/68/64/1041476864.db2.gz SPECDNFGLSHXSN-LLVKDONJSA-N -1 0 341.379 3.943 20 0 EHADRM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000511730368 1041485031 /nfs/dbraw/zinc/48/50/31/1041485031.db2.gz RFYVSYXJMJFQDG-LLVKDONJSA-N -1 0 341.379 3.943 20 0 EHADRM CCN(Cc1c([O-])nnn1-c1ccccc1)Cc1cccc(Cl)c1 ZINC000511781957 1041608482 /nfs/dbraw/zinc/60/84/82/1041608482.db2.gz UZTISLPZJRDRAY-UHFFFAOYSA-N -1 0 342.830 3.648 20 0 EHADRM COc1ccc(CCCCC(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])cc1 ZINC000432117934 1041614153 /nfs/dbraw/zinc/61/41/53/1041614153.db2.gz UKSHQCBOPWZUTL-PXNSSMCTSA-N -1 0 347.455 3.558 20 0 EHADRM CC(C)[C@H](CC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000432131127 1041626866 /nfs/dbraw/zinc/62/68/66/1041626866.db2.gz RUZXDIAJHZOCFT-SQGPQFPESA-N -1 0 331.456 3.966 20 0 EHADRM CCC[C@H](N=c1ccc(C(=O)NC2CCCC2)n[n-]1)c1ccccc1 ZINC000432142767 1041648240 /nfs/dbraw/zinc/64/82/40/1041648240.db2.gz GQHOBDMMDPFUFL-KRWDZBQOSA-N -1 0 338.455 3.524 20 0 EHADRM O=C([O-])C1CCC(C(=O)N2CCCC[C@H]2Cc2ccccc2F)CC1 ZINC000652121627 1041657503 /nfs/dbraw/zinc/65/75/03/1041657503.db2.gz PUEGRSMWDMSBRU-DQPZFDDXSA-N -1 0 347.430 3.640 20 0 EHADRM [O-]C(Nc1nc(-c2cccc(Cl)c2)ns1)=C1Cc2ccccc21 ZINC000607811838 1041760408 /nfs/dbraw/zinc/76/04/08/1041760408.db2.gz PCHRLARVAKXQBK-AWEZNQCLSA-N -1 0 341.823 3.559 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)n2)c(C)s1 ZINC000187755971 1042042824 /nfs/dbraw/zinc/04/28/24/1042042824.db2.gz NPQZCIAWMGQFJN-UHFFFAOYSA-N -1 0 337.253 3.868 20 0 EHADRM Cc1cc(-c2cccc(F)c2)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000662887644 1042190675 /nfs/dbraw/zinc/19/06/75/1042190675.db2.gz LXDWAGFSRJSRBO-AWEZNQCLSA-N -1 0 343.402 3.672 20 0 EHADRM O=S(=O)(CCc1ccccc1)[N-]c1ccccc1OC(F)(F)F ZINC000047992191 1042270219 /nfs/dbraw/zinc/27/02/19/1042270219.db2.gz LXGMXUJODROPSG-UHFFFAOYSA-N -1 0 345.342 3.570 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000653328044 1042391514 /nfs/dbraw/zinc/39/15/14/1042391514.db2.gz CPIIPUYMIMZNHK-ZOCIIQOWSA-N -1 0 337.419 3.603 20 0 EHADRM Cc1csc(Nc2ccc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc2)n1 ZINC000663068666 1042419237 /nfs/dbraw/zinc/41/92/37/1042419237.db2.gz DRPYIMHTNWTGHW-CYBMUJFWSA-N -1 0 347.440 3.881 20 0 EHADRM C[C@@H](NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC000663077429 1042425352 /nfs/dbraw/zinc/42/53/52/1042425352.db2.gz NIUPLCBDSQYEEA-SKDRFNHKSA-N -1 0 331.334 3.630 20 0 EHADRM CN(CCc1ccc(F)cc1)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184311271 1042443180 /nfs/dbraw/zinc/44/31/80/1042443180.db2.gz CTAQQLGPQJSMMN-UHFFFAOYSA-N -1 0 325.742 3.639 20 0 EHADRM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C1(C(=O)[O-])CC=CC1 ZINC000663106862 1042457959 /nfs/dbraw/zinc/45/79/59/1042457959.db2.gz BNUNMAIPBBRZJG-HNNXBMFYSA-N -1 0 342.439 3.733 20 0 EHADRM CC1(C)CCC[C@H](CC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)C1 ZINC000663133500 1042481347 /nfs/dbraw/zinc/48/13/47/1042481347.db2.gz COQUGRYGCGHWEP-PBHICJAKSA-N -1 0 329.440 3.804 20 0 EHADRM O=C([O-])[C@H](CNC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)C1CCC1 ZINC000663147242 1042494132 /nfs/dbraw/zinc/49/41/32/1042494132.db2.gz ARINHRHMGVPHDI-GBESFXJTSA-N -1 0 337.419 3.560 20 0 EHADRM O=C([O-])[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21)C1CCC1 ZINC000663150531 1042494163 /nfs/dbraw/zinc/49/41/63/1042494163.db2.gz KDNLNCCECKCLLL-IPMKNSEASA-N -1 0 337.419 3.560 20 0 EHADRM C[C@H](C(=O)NC[C@H](C(=O)[O-])C1CCC1)c1c(Cl)cccc1Cl ZINC000663149630 1042495109 /nfs/dbraw/zinc/49/51/09/1042495109.db2.gz YRUMGARORSKFHN-ONGXEEELSA-N -1 0 344.238 3.714 20 0 EHADRM CC(C)(C(=O)NC[C@H](C(=O)[O-])C1CCC1)c1ccc2ccccc2c1 ZINC000663148401 1042495307 /nfs/dbraw/zinc/49/53/07/1042495307.db2.gz RWCDQMVNNZZNDP-SFHVURJKSA-N -1 0 339.435 3.735 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1cccc(Nc2ccccc2)c1)C1CCC1 ZINC000663152955 1042495933 /nfs/dbraw/zinc/49/59/33/1042495933.db2.gz XVVWYHUDHHMUSS-GOSISDBHSA-N -1 0 338.407 3.661 20 0 EHADRM CCC(CC)(CNC(=O)C1CCC(C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000663157671 1042503785 /nfs/dbraw/zinc/50/37/85/1042503785.db2.gz RDICWMSZWPGIFM-UHFFFAOYSA-N -1 0 349.446 3.891 20 0 EHADRM C[C@H](Oc1ccc(Cl)cc1)C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000058073204 1042537851 /nfs/dbraw/zinc/53/78/51/1042537851.db2.gz SGVYBAQQHZZUAQ-NSHDSACASA-N -1 0 345.848 3.726 20 0 EHADRM Cc1cccc2c(CCNC(=O)c3cc(F)c([O-])c(Cl)c3)c[nH]c21 ZINC000184440069 1042544902 /nfs/dbraw/zinc/54/49/02/1042544902.db2.gz UXBCCIHJLLWYNT-UHFFFAOYSA-N -1 0 346.789 3.947 20 0 EHADRM C[C@@H](CC(=O)c1cccs1)NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184515239 1042572145 /nfs/dbraw/zinc/57/21/45/1042572145.db2.gz SOWANDYMSCNKQK-QMMMGPOBSA-N -1 0 341.791 3.638 20 0 EHADRM CCN(Cc1csc(Cc2ccc(Cl)cc2)n1)[C@H](C)C(=O)[O-] ZINC000662216239 1042609872 /nfs/dbraw/zinc/60/98/72/1042609872.db2.gz NOWJZUMWFDDIRB-LLVKDONJSA-N -1 0 338.860 3.682 20 0 EHADRM Cc1cc(C)n(-c2ccc(-c3noc(-c4ccc(C)cc4O)n3)cn2)n1 ZINC000184855493 1042621341 /nfs/dbraw/zinc/62/13/41/1042621341.db2.gz KVMIXBFWELWSLP-UHFFFAOYSA-N -1 0 347.378 3.615 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)nc1)c1ccccc1C(F)(F)F ZINC000221853389 1042636470 /nfs/dbraw/zinc/63/64/70/1042636470.db2.gz UTFIHNHIYOHMDM-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM CSC1CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)CC1 ZINC000601963135 1042650456 /nfs/dbraw/zinc/65/04/56/1042650456.db2.gz KMKRJTJXTPBIOL-UHFFFAOYSA-N -1 0 348.493 3.836 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000601982495 1042654001 /nfs/dbraw/zinc/65/40/01/1042654001.db2.gz BXVUPDAVGQBYIT-NEPJUHHUSA-N -1 0 337.441 3.541 20 0 EHADRM O=C(Nc1ccnn1-c1cccc(Cl)c1)c1cc(F)c([O-])c(F)c1 ZINC000186779152 1042707000 /nfs/dbraw/zinc/70/70/00/1042707000.db2.gz BJGKRLAEDNASMT-UHFFFAOYSA-N -1 0 349.724 3.762 20 0 EHADRM CC[C@@](C)([N-]S(=O)(=O)CCc1ccc(Cl)cc1)C(F)(F)F ZINC000521424872 1042719808 /nfs/dbraw/zinc/71/98/08/1042719808.db2.gz JRGDADCWYNBMNM-GFCCVEGCSA-N -1 0 343.798 3.533 20 0 EHADRM CC(C)Oc1ccc(NC(=O)NCC2(C(=O)[O-])CCC2)cc1Cl ZINC000663340614 1042725845 /nfs/dbraw/zinc/72/58/45/1042725845.db2.gz RCZFDELBVOAKSB-UHFFFAOYSA-N -1 0 340.807 3.504 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)NCC1(C(=O)[O-])CCC1 ZINC000663345190 1042728115 /nfs/dbraw/zinc/72/81/15/1042728115.db2.gz GQHVHMIDQOEJQH-UHFFFAOYSA-N -1 0 342.848 3.828 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1ccc(-c2ncc[nH]2)cc1 ZINC000186989819 1042738551 /nfs/dbraw/zinc/73/85/51/1042738551.db2.gz QZEVHCBDFPMKIU-UHFFFAOYSA-N -1 0 345.449 3.599 20 0 EHADRM O=S(=O)([N-][C@H]1CCC[C@H]1F)c1c(Cl)cc(Cl)cc1Cl ZINC000549602297 1042750694 /nfs/dbraw/zinc/75/06/94/1042750694.db2.gz ZAJILZWVQAWRRX-ZJUUUORDSA-N -1 0 346.638 3.816 20 0 EHADRM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc(CC)cc2)c1 ZINC000008108986 1042763628 /nfs/dbraw/zinc/76/36/28/1042763628.db2.gz CIPJZPFXNINOOM-UHFFFAOYSA-N -1 0 349.452 3.847 20 0 EHADRM COc1ccc(NC2CCC(C(=O)[O-])CC2)cc1Br ZINC000258843546 1042829122 /nfs/dbraw/zinc/82/91/22/1042829122.db2.gz PIGTZKNVFVGLIR-UHFFFAOYSA-N -1 0 328.206 3.513 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2cccc(COCC3CC3)c2)CCC1 ZINC000643341843 1042836460 /nfs/dbraw/zinc/83/64/60/1042836460.db2.gz UEQSZZBWSAHLMS-UHFFFAOYSA-N -1 0 331.412 3.587 20 0 EHADRM O=S(=O)([N-]c1nnc(CC2CCCCC2)s1)c1ccsc1 ZINC000350126841 1042839228 /nfs/dbraw/zinc/83/92/28/1042839228.db2.gz NHPMUYSKOFCVOQ-UHFFFAOYSA-N -1 0 343.499 3.523 20 0 EHADRM CC[C@@H](Cc1ccccc1Br)N=c1[n-]nc(C(F)F)o1 ZINC000432320842 1042870846 /nfs/dbraw/zinc/87/08/46/1042870846.db2.gz BNWJVYCFPBUVIS-VIFPVBQESA-N -1 0 346.175 3.625 20 0 EHADRM O=S(=O)([N-]c1cccc(Br)c1)c1c(F)cccc1F ZINC000003532612 1042992283 /nfs/dbraw/zinc/99/22/83/1042992283.db2.gz BDEMRJCYVREBCZ-UHFFFAOYSA-N -1 0 348.168 3.528 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2ccc(F)c(F)c2F)CCCCC1 ZINC000024150789 1043024159 /nfs/dbraw/zinc/02/41/59/1043024159.db2.gz QOCUEUFAUGHUAH-UHFFFAOYSA-N -1 0 329.318 3.858 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2c(F)c(F)cc(F)c2F)c1 ZINC000344040828 1043153619 /nfs/dbraw/zinc/15/36/19/1043153619.db2.gz DTDYWUVFSGBUHP-UHFFFAOYSA-N -1 0 341.260 3.513 20 0 EHADRM CCCC[C@@H](NC(=O)N=c1[n-]nc(CC)s1)c1ccc(OC)cc1 ZINC000344152030 1043341007 /nfs/dbraw/zinc/34/10/07/1043341007.db2.gz OBIXCTPZMHXPIC-CQSZACIVSA-N -1 0 348.472 3.584 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccccc1Cl ZINC000021003396 1043635671 /nfs/dbraw/zinc/63/56/71/1043635671.db2.gz OMDOSXNPBGPTIY-LLVKDONJSA-N -1 0 333.771 3.753 20 0 EHADRM CCCN(C(=O)c1cc(O)c2ccccc2c1)[C@@H](CC)C(=O)OCC ZINC000473225112 1043786280 /nfs/dbraw/zinc/78/62/80/1043786280.db2.gz VMFALVBZJMDPHQ-KRWDZBQOSA-N -1 0 343.423 3.739 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCc1ccccc1Cl ZINC000320207841 1044311132 /nfs/dbraw/zinc/31/11/32/1044311132.db2.gz SNMOLWAGJHSACB-BMFZPTHFSA-N -1 0 335.831 3.517 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000324473182 1044400626 /nfs/dbraw/zinc/40/06/26/1044400626.db2.gz KUITXNZDRXCJTP-ULQDDVLXSA-N -1 0 329.440 3.947 20 0 EHADRM O=S(=O)([N-]c1ccc2cc[nH]c2c1)c1cnc2ccsc2c1 ZINC000432617577 1044536064 /nfs/dbraw/zinc/53/60/64/1044536064.db2.gz MUUBBFUQWGRTNG-UHFFFAOYSA-N -1 0 329.406 3.578 20 0 EHADRM CCCCC[C@H](C)CC(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000236856216 1044631501 /nfs/dbraw/zinc/63/15/01/1044631501.db2.gz HBQFJAYPLCOVSX-JQWIXIFHSA-N -1 0 326.462 3.933 20 0 EHADRM O=C(c1cc(O)ccc1Cl)N1CCC(OCc2ccccc2)CC1 ZINC000289465410 1044817152 /nfs/dbraw/zinc/81/71/52/1044817152.db2.gz WIENGKFKZATCKW-UHFFFAOYSA-N -1 0 345.826 3.867 20 0 EHADRM CC(C)(C)c1coc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)n1 ZINC000671065814 1125585154 /nfs/dbraw/zinc/58/51/54/1125585154.db2.gz KDQFFEZSWPPEBL-UHFFFAOYSA-N -1 0 332.784 3.565 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c(F)c1 ZINC000404885557 1125630224 /nfs/dbraw/zinc/63/02/24/1125630224.db2.gz SVIGAWRHBVIURC-UHFFFAOYSA-N -1 0 349.305 3.834 20 0 EHADRM CC(C)c1nc(CN[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cs1 ZINC001116779250 1126145919 /nfs/dbraw/zinc/14/59/19/1126145919.db2.gz HJJFZIVNIFVIDZ-MRXNPFEDSA-N -1 0 343.452 3.533 20 0 EHADRM Cc1cc([C@@H]2CCCN2C(=O)c2ccc3[n-]c(=S)oc3c2)on1 ZINC000072962384 1126954950 /nfs/dbraw/zinc/95/49/50/1126954950.db2.gz ARFJWUHTFNQHEC-LBPRGKRZSA-N -1 0 329.381 3.764 20 0 EHADRM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000179417560 1127062815 /nfs/dbraw/zinc/06/28/15/1127062815.db2.gz ITYGIAUFJUOMTH-NWANDNLSSA-N -1 0 341.411 3.575 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)c1Cl ZINC000179971132 1127105750 /nfs/dbraw/zinc/10/57/50/1127105750.db2.gz LFVOOEVCAQUXCC-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)o1 ZINC000180133498 1127124584 /nfs/dbraw/zinc/12/45/84/1127124584.db2.gz YHSDJCSYPLNAKT-JTQLQIEISA-N -1 0 337.784 3.598 20 0 EHADRM C[C@H]1c2sccc2CCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000921509958 1127154484 /nfs/dbraw/zinc/15/44/84/1127154484.db2.gz UKGHMFPZZSCTFN-ZETCQYMHSA-N -1 0 327.327 3.631 20 0 EHADRM CCc1cccc(S(=O)(=O)Nc2ccc([C@@H](C)CC(=O)[O-])cc2)c1 ZINC000181769048 1127295894 /nfs/dbraw/zinc/29/58/94/1127295894.db2.gz UNTPLNWYUBHHDM-ZDUSSCGKSA-N -1 0 347.436 3.628 20 0 EHADRM CC1(C)C[C@@H](NC(=O)c2cc(F)c(F)c([O-])c2F)c2ccccc21 ZINC000183345329 1127373314 /nfs/dbraw/zinc/37/33/14/1127373314.db2.gz CFLOEGZHZKSTHF-CYBMUJFWSA-N -1 0 335.325 3.962 20 0 EHADRM C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](CC1CCC1)c1ccccc1 ZINC000184831581 1127413738 /nfs/dbraw/zinc/41/37/38/1127413738.db2.gz FHPMWVBQNVQKAI-RISCZKNCSA-N -1 0 335.391 3.788 20 0 EHADRM CCCOc1ccc(CNC(=O)c2cc(F)c(F)c([O-])c2F)cc1 ZINC000185175045 1127421933 /nfs/dbraw/zinc/42/19/33/1127421933.db2.gz SWJIEMYZXJGGAA-UHFFFAOYSA-N -1 0 339.313 3.528 20 0 EHADRM Fc1ccc(CN=c2[n-]nc([C@H]3CCCO3)s2)cc1C(F)(F)F ZINC000630961732 1127749297 /nfs/dbraw/zinc/74/92/97/1127749297.db2.gz BVYQEQIXIMTOQL-LLVKDONJSA-N -1 0 347.337 3.582 20 0 EHADRM Cc1cc(C([O-])=CS(=O)(=O)c2ccc(Cl)cc2Cl)c(C)[nH]1 ZINC000338604704 1127885997 /nfs/dbraw/zinc/88/59/97/1127885997.db2.gz YSEIKLVGLVLIOO-UHFFFAOYSA-N -1 0 346.235 3.595 20 0 EHADRM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)c1 ZINC000057126163 1128037885 /nfs/dbraw/zinc/03/78/85/1128037885.db2.gz LRKDCVSOMYZFKH-LBPRGKRZSA-N -1 0 345.424 3.541 20 0 EHADRM O=S(=O)([N-][C@H](c1ccccc1)C1CC1)c1c(F)cc(F)cc1F ZINC000060498344 1128104193 /nfs/dbraw/zinc/10/41/93/1128104193.db2.gz WDQGWOKRQAQZOO-OAHLLOKOSA-N -1 0 341.354 3.534 20 0 EHADRM O=S(=O)([N-]c1ccccc1NCC(F)(F)F)c1cccs1 ZINC000067659724 1128245886 /nfs/dbraw/zinc/24/58/86/1128245886.db2.gz OSZZPCGMNFUTIR-UHFFFAOYSA-N -1 0 336.360 3.523 20 0 EHADRM Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000126824148 1128211471 /nfs/dbraw/zinc/21/14/71/1128211471.db2.gz AICCXCGABSHACK-UHFFFAOYSA-N -1 0 332.425 3.540 20 0 EHADRM CCOc1ccc(/C=C/c2nc(C(=O)[O-])ccc2C#N)cc1OCC ZINC000068722980 1128273131 /nfs/dbraw/zinc/27/31/31/1128273131.db2.gz VLJHCWHQZYOEFU-VMPITWQZSA-N -1 0 338.363 3.619 20 0 EHADRM CC(C)CCO[C@H]1CC[C@H](N=c2[n-]nc(C(F)(F)F)s2)CC1 ZINC000624559987 1128394367 /nfs/dbraw/zinc/39/43/67/1128394367.db2.gz HUWPVXWYHQEVGK-XYPYZODXSA-N -1 0 337.411 3.765 20 0 EHADRM O=C(CCc1ccc(Cl)cc1Cl)[N-]S(=O)(=O)CC1CC1 ZINC000073538422 1128395674 /nfs/dbraw/zinc/39/56/74/1128395674.db2.gz HFCWVCYLXHYIDH-UHFFFAOYSA-N -1 0 336.240 3.622 20 0 EHADRM Clc1ccc2c(c1)[C@@H](N=c1[n-]nc(-c3ccon3)s1)CCC2 ZINC000624668191 1128423567 /nfs/dbraw/zinc/42/35/67/1128423567.db2.gz SGQHXGIHAIGIAL-LBPRGKRZSA-N -1 0 332.816 3.758 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)s2)c1 ZINC000473757648 1128453982 /nfs/dbraw/zinc/45/39/82/1128453982.db2.gz UXWAKJATYHEDRK-UHFFFAOYSA-N -1 0 336.360 3.525 20 0 EHADRM Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000106724589 1128508984 /nfs/dbraw/zinc/50/89/84/1128508984.db2.gz STNKIZVISFPCIM-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM CC(C)[C@@H](NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655858933 1128509062 /nfs/dbraw/zinc/50/90/62/1128509062.db2.gz BPXDJZDVKHAPSY-QMCVQRASSA-N -1 0 346.471 3.818 20 0 EHADRM CC[C@@H](CNC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655858941 1128509247 /nfs/dbraw/zinc/50/92/47/1128509247.db2.gz BSKCBKFAECVVFU-NXNVCVFFSA-N -1 0 346.471 3.615 20 0 EHADRM CC(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000055590405 1128524278 /nfs/dbraw/zinc/52/42/78/1128524278.db2.gz LJYVANGEOMFQSJ-UHFFFAOYSA-N -1 0 327.352 3.553 20 0 EHADRM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000055619428 1128525291 /nfs/dbraw/zinc/52/52/91/1128525291.db2.gz LGDUJPFEXYOEAW-UHFFFAOYSA-N -1 0 331.846 3.990 20 0 EHADRM Cc1nc([N-]S(=O)(=O)c2cccc(C(C)C)c2)nc2c1CCCC2 ZINC000542754146 1128574898 /nfs/dbraw/zinc/57/48/98/1128574898.db2.gz NDGKQTGOIHPXOY-UHFFFAOYSA-N -1 0 345.468 3.588 20 0 EHADRM CC(=O)c1cc(-c2nc(-c3cc4ccoc4c(Cl)c3)no2)n[nH]1 ZINC001212429164 1128578555 /nfs/dbraw/zinc/57/85/55/1128578555.db2.gz CHCQRVGUHSUSKY-UHFFFAOYSA-N -1 0 328.715 3.729 20 0 EHADRM COc1cc(CNc2ccc3oc(=S)[n-]c3c2)cc(OC)c1OC ZINC001168671772 1128769151 /nfs/dbraw/zinc/76/91/51/1128769151.db2.gz QFZOCLMJJZCJGR-UHFFFAOYSA-N -1 0 346.408 3.754 20 0 EHADRM O=S(=O)(/C=C/c1ccccc1)[N-]c1nc(-c2ccncc2)cs1 ZINC000067744203 1120022387 /nfs/dbraw/zinc/02/23/87/1120022387.db2.gz GGMNGOILVDREHF-DHZHZOJOSA-N -1 0 343.433 3.618 20 0 EHADRM CC(C)[C@]1(C)C[C@H]1NC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC001648840458 1120052307 /nfs/dbraw/zinc/05/23/07/1120052307.db2.gz VBHQKFPWQXOBCC-RISCZKNCSA-N -1 0 346.652 3.973 20 0 EHADRM C[C@H](O)[C@H](NC(=O)c1c([O-])cc(Cl)cc1Cl)c1ccccc1 ZINC001648938701 1120238206 /nfs/dbraw/zinc/23/82/06/1120238206.db2.gz CZSOSUAPSFXKMC-VFZGTOFNSA-N -1 0 340.206 3.551 20 0 EHADRM CC[C@H](C)CN(CC)C(=O)N=c1[n-]nc(-c2ccccc2OC)s1 ZINC000455808867 1120337216 /nfs/dbraw/zinc/33/72/16/1120337216.db2.gz HXZGZYHVEIFXFP-LBPRGKRZSA-N -1 0 348.472 3.536 20 0 EHADRM CN(C)[C@@H](C(=O)Nc1cc(Cl)c([O-])c(Cl)c1)c1ccccc1 ZINC000185469546 1120415662 /nfs/dbraw/zinc/41/56/62/1120415662.db2.gz XVNZFZXOWWWFSL-CQSZACIVSA-N -1 0 339.222 3.940 20 0 EHADRM Cc1cc2occ(C(=O)Nc3ccc(-c4nc(=O)o[n-]4)cc3)c2cc1C ZINC000185526386 1120418126 /nfs/dbraw/zinc/41/81/26/1120418126.db2.gz GNXAXEQSVABKMG-UHFFFAOYSA-N -1 0 349.346 3.645 20 0 EHADRM Cc1nc2ccc(NC(=O)C[C@H](C(=O)[O-])c3ccccc3)cc2s1 ZINC000013249553 1128916982 /nfs/dbraw/zinc/91/69/82/1128916982.db2.gz QLAXFEPGKCSBKT-AWEZNQCLSA-N -1 0 340.404 3.802 20 0 EHADRM O=C([O-])[C@H](CC(=O)Nc1ccc(Br)cc1)c1ccccc1 ZINC000013249790 1128917083 /nfs/dbraw/zinc/91/70/83/1128917083.db2.gz NVJGVXSWQRZWRG-CQSZACIVSA-N -1 0 348.196 3.646 20 0 EHADRM CCC[C@H](C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1)C(C)C ZINC000153060771 1120562460 /nfs/dbraw/zinc/56/24/60/1120562460.db2.gz OICRPGSOWVIHJC-KRWDZBQOSA-N -1 0 333.453 3.717 20 0 EHADRM Cc1occc1S([O-])=CC(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000189625951 1120602311 /nfs/dbraw/zinc/60/23/11/1120602311.db2.gz QFAMCCIUKBJCSL-BSEYFRJRSA-N -1 0 347.480 3.772 20 0 EHADRM Cc1occc1S([O-])=CC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000189646791 1120603117 /nfs/dbraw/zinc/60/31/17/1120603117.db2.gz UVUXOOWDGIHUJM-RZFZLAGVSA-N -1 0 341.432 3.726 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(C)c(O)c2C)sc1Cl ZINC000190239849 1120630693 /nfs/dbraw/zinc/63/06/93/1120630693.db2.gz KZMYWRVMUKVMJZ-UHFFFAOYSA-N -1 0 331.846 3.833 20 0 EHADRM O=S(=O)([N-]c1ccsc1)c1ccc(Cl)c(F)c1Cl ZINC000190301127 1120633130 /nfs/dbraw/zinc/63/31/30/1120633130.db2.gz KNCYRGODSYGLBD-UHFFFAOYSA-N -1 0 326.201 3.995 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2nnc(-c3cccs3)o2)c1 ZINC000190352891 1120634772 /nfs/dbraw/zinc/63/47/72/1120634772.db2.gz MFGSORSKZDCPEH-UHFFFAOYSA-N -1 0 349.437 3.722 20 0 EHADRM COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2cccc(Cl)c2[O-])c1 ZINC000191940518 1120703351 /nfs/dbraw/zinc/70/33/51/1120703351.db2.gz USTCLWADBFBAMH-WCQYABFASA-N -1 0 347.798 3.805 20 0 EHADRM COc1ccc(NC(=O)c2cc(F)c(F)c([O-])c2F)cc1Cl ZINC000193912806 1120808005 /nfs/dbraw/zinc/80/80/05/1120808005.db2.gz GKEBZQTVFWBFOK-UHFFFAOYSA-N -1 0 331.677 3.724 20 0 EHADRM CC(C)c1nc(CCN=c2[n-]nc(-c3ccccc3)s2)cs1 ZINC000522624185 1120931331 /nfs/dbraw/zinc/93/13/31/1120931331.db2.gz FXZCCKLHEIMLGF-UHFFFAOYSA-N -1 0 330.482 3.862 20 0 EHADRM CCC[C@@H](C)[C@@H]1CCCN1C(=O)N=c1[n-]nc(SCC)s1 ZINC000495145750 1120969636 /nfs/dbraw/zinc/96/96/36/1120969636.db2.gz HDMYEYJGTUNXJO-MNOVXSKESA-N -1 0 328.507 3.505 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cccc([C@@H]2CCOC2)c1 ZINC000761889352 1121005391 /nfs/dbraw/zinc/00/53/91/1121005391.db2.gz IAJSPPVTFYTTLK-CYBMUJFWSA-N -1 0 340.404 3.873 20 0 EHADRM CCC(CC)[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000762081579 1121097407 /nfs/dbraw/zinc/09/74/07/1121097407.db2.gz IBUUQZOPDUUTKT-ZDUSSCGKSA-N -1 0 325.474 3.687 20 0 EHADRM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-][C@H]1CCCC1(F)F ZINC000672429865 1128978011 /nfs/dbraw/zinc/97/80/11/1128978011.db2.gz SOZRCMPZVCIUHF-NSHDSACASA-N -1 0 344.210 3.601 20 0 EHADRM CC(C)C[C@@H](NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000236577492 1121457612 /nfs/dbraw/zinc/45/76/12/1121457612.db2.gz LYCSZFJDILUXLL-NTZNESFSSA-N -1 0 344.238 3.712 20 0 EHADRM CC(C)[C@H](C)CC(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000236631443 1121458768 /nfs/dbraw/zinc/45/87/68/1121458768.db2.gz NUZHBQUYLUWFAU-BEFAXECRSA-N -1 0 341.451 3.882 20 0 EHADRM CC(C)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000236788737 1121463803 /nfs/dbraw/zinc/46/38/03/1121463803.db2.gz LDRFCHMOIUOTFZ-MISXGVKJSA-N -1 0 344.238 3.712 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000237055420 1121471885 /nfs/dbraw/zinc/47/18/85/1121471885.db2.gz IHFZVPZFKPXBKU-UHFFFAOYSA-N -1 0 338.190 3.964 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000237063711 1121473164 /nfs/dbraw/zinc/47/31/64/1121473164.db2.gz UDYKDQVKSAXLLZ-LLVKDONJSA-N -1 0 335.400 3.880 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Cc1c(Cl)cccc1Cl ZINC000237985981 1121500545 /nfs/dbraw/zinc/50/05/45/1121500545.db2.gz LWSMJXZTPZSDPY-LLVKDONJSA-N -1 0 344.238 3.782 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2ccc3c(c2)CCCO3)CCCCC1 ZINC000238092426 1121502848 /nfs/dbraw/zinc/50/28/48/1121502848.db2.gz ADUINTTYERTKAV-UHFFFAOYSA-N -1 0 331.412 3.765 20 0 EHADRM Cc1ccc(C)c(OCC(=O)Nc2ccc3[n-]c(=S)oc3c2)c1 ZINC000762966213 1121618367 /nfs/dbraw/zinc/61/83/67/1121618367.db2.gz BWGHGZZVJMWUHL-UHFFFAOYSA-N -1 0 328.393 3.751 20 0 EHADRM O=C(CCc1cc(F)ccc1F)Nc1ccc2[n-]c(=S)oc2c1 ZINC000762966836 1121619728 /nfs/dbraw/zinc/61/97/28/1121619728.db2.gz HTIZGTHCDHEJPQ-UHFFFAOYSA-N -1 0 334.347 3.966 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccc2ccccc2c1)c1ccc(Cl)cc1 ZINC000915815161 1121642442 /nfs/dbraw/zinc/64/24/42/1121642442.db2.gz ASZHZOUSALZBOH-UHFFFAOYSA-N -1 0 345.807 3.612 20 0 EHADRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2cc[nH]c2c1 ZINC000074842557 1121713062 /nfs/dbraw/zinc/71/30/62/1121713062.db2.gz LBKNBIZCNWLJHO-UHFFFAOYSA-N -1 0 336.800 3.631 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(OC(C)(C)C)c(F)c2)o1 ZINC000542985058 1129012643 /nfs/dbraw/zinc/01/26/43/1129012643.db2.gz YLDXITZUBMLGKP-UHFFFAOYSA-N -1 0 345.367 3.844 20 0 EHADRM CCOc1ncccc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000055636221 1121848313 /nfs/dbraw/zinc/84/83/13/1121848313.db2.gz SYGPNDNJMWZJMO-UHFFFAOYSA-N -1 0 347.223 3.588 20 0 EHADRM COc1cc(/C=C/c2cc(C=O)c(C)s2)ccc1OCCC(=O)[O-] ZINC000763374484 1122172692 /nfs/dbraw/zinc/17/26/92/1122172692.db2.gz SOILFDSNGCDMTO-HWKANZROSA-N -1 0 346.404 3.902 20 0 EHADRM CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1ccc(F)cc1[O-] ZINC000124130878 1122276330 /nfs/dbraw/zinc/27/63/30/1122276330.db2.gz YXLSQUBFTNDEEM-UHFFFAOYSA-N -1 0 343.276 3.702 20 0 EHADRM O=C(C[C@@H]1C=CCC1)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000916813912 1122355314 /nfs/dbraw/zinc/35/53/14/1122355314.db2.gz SZWALTCBNIOGLK-OAHLLOKOSA-N -1 0 347.480 3.896 20 0 EHADRM Cc1ccc(OCCCC(=O)NCc2ccc(O)c(F)c2)c(C)c1 ZINC000127144631 1122465753 /nfs/dbraw/zinc/46/57/53/1122465753.db2.gz UPILBIPZIJHWFX-UHFFFAOYSA-N -1 0 331.387 3.624 20 0 EHADRM Cc1ccncc1[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000128364282 1122574941 /nfs/dbraw/zinc/57/49/41/1122574941.db2.gz ZOLAUQIEAPHDFX-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000068467371 1122653380 /nfs/dbraw/zinc/65/33/80/1122653380.db2.gz HBLDEDZYDCAVMF-LLVKDONJSA-N -1 0 343.814 3.906 20 0 EHADRM C[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21)c1ccc(Cl)s1 ZINC000630283920 1122799667 /nfs/dbraw/zinc/79/96/67/1122799667.db2.gz JGLLSIGISBIHHW-WHOHXGKFSA-N -1 0 341.860 3.607 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1ccc(-c2ccccc2)cn1 ZINC000069676191 1122810535 /nfs/dbraw/zinc/81/05/35/1122810535.db2.gz JRMIHUZWCACPIN-UHFFFAOYSA-N -1 0 340.404 3.558 20 0 EHADRM O=c1[n-]c(F)c(Cl)c(Nc2cc(F)cc(F)c2O)c1Cl ZINC001212479520 1129082169 /nfs/dbraw/zinc/08/21/69/1129082169.db2.gz CQUSAPLEJCHIQY-UHFFFAOYSA-N -1 0 325.073 3.961 20 0 EHADRM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cnn(C(C)(C)C)c2)cc1 ZINC000065833898 1129096010 /nfs/dbraw/zinc/09/60/10/1129096010.db2.gz AGLISLJHGDYKAW-UHFFFAOYSA-N -1 0 335.473 3.637 20 0 EHADRM Cc1cc2cc(CNC(=O)CC3(C(=O)[O-])CCCCCC3)ccc2[nH]1 ZINC000556774575 1123115071 /nfs/dbraw/zinc/11/50/71/1123115071.db2.gz AKXPHLKNBGNCRI-UHFFFAOYSA-N -1 0 342.439 3.908 20 0 EHADRM C[C@H](NC(=O)CC1(C(=O)[O-])CCCCCC1)c1cccc(F)c1F ZINC000499034258 1123160052 /nfs/dbraw/zinc/16/00/52/1123160052.db2.gz ZZDZJXJXNLKNTQ-LBPRGKRZSA-N -1 0 339.382 3.957 20 0 EHADRM CCC[C@@H](NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)c1ccccc1 ZINC000072847575 1123168233 /nfs/dbraw/zinc/16/82/33/1123168233.db2.gz XGPRXYMQJYLYLD-GOSISDBHSA-N -1 0 349.434 3.745 20 0 EHADRM CC[C@H](c1ccc(F)cc1F)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000131722048 1123172766 /nfs/dbraw/zinc/17/27/66/1123172766.db2.gz JGBGGDRTMCPITD-CQSZACIVSA-N -1 0 349.406 3.846 20 0 EHADRM C[C@@H](Cn1ncc2ccccc21)C(=O)Nc1cccc(Cl)c1[O-] ZINC000556952273 1123231715 /nfs/dbraw/zinc/23/17/15/1123231715.db2.gz VNOBIUXIEWJOGQ-NSHDSACASA-N -1 0 329.787 3.670 20 0 EHADRM O=C(Nc1cc(Br)ccc1F)c1c([O-])cccc1F ZINC000132538739 1123245153 /nfs/dbraw/zinc/24/51/53/1123245153.db2.gz MWCDRYPVERJKJO-UHFFFAOYSA-N -1 0 328.112 3.685 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)COC2)c1cccc(Cl)c1Cl ZINC000132877388 1123312517 /nfs/dbraw/zinc/31/25/17/1123312517.db2.gz XEOHVVGJOLHBCA-UHFFFAOYSA-N -1 0 344.219 3.824 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)COC2)c1cc(Cl)ccc1Cl ZINC000132911991 1123317016 /nfs/dbraw/zinc/31/70/16/1123317016.db2.gz LRXZQHKQHDDUPF-UHFFFAOYSA-N -1 0 344.219 3.824 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc3ccccc3c2)cnn1CC(C)C ZINC000499266683 1123319487 /nfs/dbraw/zinc/31/94/87/1123319487.db2.gz NQCQIEXBXJNDMS-UHFFFAOYSA-N -1 0 343.452 3.802 20 0 EHADRM CCS[C@@H](C(=O)Nc1ccc(OCCCC(=O)[O-])cc1)C(C)C ZINC000263130015 1123442055 /nfs/dbraw/zinc/44/20/55/1123442055.db2.gz GPTQZBPBYGFICI-MRXNPFEDSA-N -1 0 339.457 3.646 20 0 EHADRM O=C([O-])C1CCC(CC(=O)NC2(c3ccccc3F)CCC2)CC1 ZINC000649258737 1123465980 /nfs/dbraw/zinc/46/59/80/1123465980.db2.gz AJCMCVAZPRTYHZ-UHFFFAOYSA-N -1 0 333.403 3.602 20 0 EHADRM CC[C@@H](CNC(=O)[C@@H](Sc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000649259897 1123469747 /nfs/dbraw/zinc/46/97/47/1123469747.db2.gz SIBMNUGCPGINGZ-YOEHRIQHSA-N -1 0 343.448 3.747 20 0 EHADRM CC(C)C(=O)Nc1ccc(NC(=O)c2c([O-])cc(F)cc2F)cc1 ZINC000066042901 1129125476 /nfs/dbraw/zinc/12/54/76/1129125476.db2.gz DGUGWRMPJMZRON-UHFFFAOYSA-N -1 0 334.322 3.517 20 0 EHADRM COc1ccc(F)cc1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000237171841 1123498074 /nfs/dbraw/zinc/49/80/74/1123498074.db2.gz TYLWNCUVHFTBPQ-UHFFFAOYSA-N -1 0 345.351 4.000 20 0 EHADRM Cc1cc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)ccc1C(=O)[O-] ZINC000237822216 1123541170 /nfs/dbraw/zinc/54/11/70/1123541170.db2.gz MHMHABARLCAFML-GJZGRUSLSA-N -1 0 331.318 3.714 20 0 EHADRM O=C(CSc1n[n-]c(=S)s1)Nc1ccccc1OC(F)F ZINC000174938646 1123552717 /nfs/dbraw/zinc/55/27/17/1123552717.db2.gz BOCDLPIDRSNSLC-UHFFFAOYSA-N -1 0 349.409 3.533 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)c2cc3cc(Cl)ccc3o2)cc1 ZINC000238096292 1123561123 /nfs/dbraw/zinc/56/11/23/1123561123.db2.gz IIYRBNSXOYFCMX-UHFFFAOYSA-N -1 0 343.766 3.757 20 0 EHADRM O=C([N-]c1cccc(Cl)c1SCC(F)F)c1cnns1 ZINC000134996412 1123572002 /nfs/dbraw/zinc/57/20/02/1123572002.db2.gz XBCOPHPHLSHLKC-UHFFFAOYSA-N -1 0 335.788 3.801 20 0 EHADRM O=C(NCc1ccccc1)Nc1cc(Br)cc(F)c1[O-] ZINC000168876820 1123599558 /nfs/dbraw/zinc/59/95/58/1123599558.db2.gz ZZUQSIVCPJRAEP-UHFFFAOYSA-N -1 0 339.164 3.616 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C(F)F)nc3c2)s1 ZINC000135510849 1123624332 /nfs/dbraw/zinc/62/43/32/1123624332.db2.gz UMXFBSPIKYIGDU-UHFFFAOYSA-N -1 0 343.380 3.671 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1cccc(OCc2cccc(F)c2)c1 ZINC000263291608 1123738586 /nfs/dbraw/zinc/73/85/86/1123738586.db2.gz LOHWAFUCZUXGBB-UHFFFAOYSA-N -1 0 345.370 3.988 20 0 EHADRM COc1ccc2c(c1)CCC[C@@H]2CNC(=O)c1cc(F)c([O-])c(F)c1 ZINC000136998298 1123743642 /nfs/dbraw/zinc/74/36/42/1123743642.db2.gz XBTARHLKPQSMQD-GFCCVEGCSA-N -1 0 347.361 3.529 20 0 EHADRM O=S(=O)([N-]c1ccc2nc(C3CC3)oc2c1)c1ccccc1F ZINC000080326509 1123751492 /nfs/dbraw/zinc/75/14/92/1123751492.db2.gz BVCBCWLAYJVLFP-UHFFFAOYSA-N -1 0 332.356 3.645 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)c(F)c1 ZINC000080326524 1123751818 /nfs/dbraw/zinc/75/18/18/1123751818.db2.gz KJGVOOCWVJZTTK-UHFFFAOYSA-N -1 0 346.383 3.954 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2nc(CC)c(C)s2)cc1C ZINC000615297010 1123778133 /nfs/dbraw/zinc/77/81/33/1123778133.db2.gz VGLHQJOWIAUTHR-UHFFFAOYSA-N -1 0 340.470 3.522 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)Nc1ccc2c(c1)COC2)C1CCCCC1 ZINC000237616685 1123792302 /nfs/dbraw/zinc/79/23/02/1123792302.db2.gz GVNZDMYSWVZZDJ-LJQANCHMSA-N -1 0 331.412 3.717 20 0 EHADRM Cc1cc([C@H](C)NC(=O)N=c2[n-]nc(C(C)(C)C)s2)c(C)s1 ZINC000615567907 1123827299 /nfs/dbraw/zinc/82/72/99/1123827299.db2.gz VZMCMWZSMVDTNY-VIFPVBQESA-N -1 0 338.502 3.819 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1ccc(F)cc1Cl ZINC000237766654 1123852911 /nfs/dbraw/zinc/85/29/11/1123852911.db2.gz CFVYOUNISVXFCW-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM C[C@H](NC(=O)c1cc(C2CC2)nc2ccc(Cl)cc21)[C@H](C)C(=O)[O-] ZINC000263475107 1123875739 /nfs/dbraw/zinc/87/57/39/1123875739.db2.gz SPOIXJBQWFUCBK-UWVGGRQHSA-N -1 0 346.814 3.605 20 0 EHADRM C[C@H](C[C@H](C)O)N=c1[n-]nc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000543047927 1129158382 /nfs/dbraw/zinc/15/83/82/1129158382.db2.gz IPNOLHYWFZZUSR-SFYZADRCSA-N -1 0 332.256 3.505 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC(CCc3ccccc3)CC2)s1 ZINC000237986087 1123933303 /nfs/dbraw/zinc/93/33/03/1123933303.db2.gz ZNNRAURUTQODRS-UHFFFAOYSA-N -1 0 343.448 3.931 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000238098903 1123979304 /nfs/dbraw/zinc/97/93/04/1123979304.db2.gz DAZIYTMUKMWVME-HZPDHXFCSA-N -1 0 337.847 3.985 20 0 EHADRM O=C([O-])C1CCC(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)CC1 ZINC000263537764 1124028890 /nfs/dbraw/zinc/02/88/90/1124028890.db2.gz PIUSIALCMAFSAK-UHFFFAOYSA-N -1 0 349.858 3.937 20 0 EHADRM CCS[C@H](C)c1noc(CN(C)Cc2cccc(Cl)c2[O-])n1 ZINC000180754481 1124071898 /nfs/dbraw/zinc/07/18/98/1124071898.db2.gz SOVXKZMYYZMXLL-SNVBAGLBSA-N -1 0 341.864 3.875 20 0 EHADRM CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H](C)CCC(=O)[O-] ZINC000263551293 1124081963 /nfs/dbraw/zinc/08/19/63/1124081963.db2.gz WODAHEQMNXCHGA-DGCLKSJQSA-N -1 0 345.361 3.644 20 0 EHADRM CC(C)CCc1n[n-]c(=NC(=O)c2c(Cl)cncc2Cl)s1 ZINC000617093450 1124082777 /nfs/dbraw/zinc/08/27/77/1124082777.db2.gz OQOPYTUJGJGECY-UHFFFAOYSA-N -1 0 345.255 3.503 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1ncccc1OCC(F)(F)F ZINC000084390952 1124574944 /nfs/dbraw/zinc/57/49/44/1124574944.db2.gz LSBMBYHRTPWMCG-UHFFFAOYSA-N -1 0 346.692 3.634 20 0 EHADRM C[C@H](NC(=O)CC1(C(=O)[O-])CCC1)C1(c2ccccc2)CCCC1 ZINC000263583379 1124746793 /nfs/dbraw/zinc/74/67/93/1124746793.db2.gz ZVFBPSAPMUBALQ-HNNXBMFYSA-N -1 0 329.440 3.648 20 0 EHADRM CC(C)Cc1nc(=NC(=O)c2[nH]c3ccccc3c2Cl)s[n-]1 ZINC000618347068 1125056487 /nfs/dbraw/zinc/05/64/87/1125056487.db2.gz QNBUXUDHRJSPLS-UHFFFAOYSA-N -1 0 334.832 3.546 20 0 EHADRM CC(C)Cc1nc(=NC(=O)c2cc(Cl)ccc2Cl)s[n-]1 ZINC000618345414 1125056777 /nfs/dbraw/zinc/05/67/77/1125056777.db2.gz KDNRQFZOOPGQGN-UHFFFAOYSA-N -1 0 330.240 3.718 20 0 EHADRM COc1ccccc1N=c1[n-]nc(S[C@@H]2C[C@@H](C)CCC2=O)s1 ZINC000450635289 1125175851 /nfs/dbraw/zinc/17/58/51/1125175851.db2.gz JPKKVRTWMCQSIF-IINYFYTJSA-N -1 0 349.481 3.562 20 0 EHADRM Cc1csc([C@H](C)C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000182164563 1125189411 /nfs/dbraw/zinc/18/94/11/1125189411.db2.gz AWKLZUATMLROTP-NGZXACEBSA-N -1 0 339.804 3.941 20 0 EHADRM CCOc1ccc(CCC(=O)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC000619595705 1125366954 /nfs/dbraw/zinc/36/69/54/1125366954.db2.gz YESFULAQZRCIGI-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM O=C(NC(C1CCCC1)C1CCCC1)c1n[n-]c2ccccc2c1=O ZINC000735522753 1131352516 /nfs/dbraw/zinc/35/25/16/1131352516.db2.gz XQQATTMWXSFWIU-UHFFFAOYSA-N -1 0 339.439 3.814 20 0 EHADRM CC1(C)CN(C(=O)N=c2[n-]nc(C(F)F)s2)[C@H]1c1ccccc1 ZINC000619933166 1125433425 /nfs/dbraw/zinc/43/34/25/1125433425.db2.gz CZZHEMGIQJJWMO-JTQLQIEISA-N -1 0 338.383 3.513 20 0 EHADRM O=C([O-])[C@H](NCc1ccc(CSC(F)F)o1)c1ccccc1 ZINC000262716203 1125448129 /nfs/dbraw/zinc/44/81/29/1125448129.db2.gz SAEQJHCRUDPKEQ-CYBMUJFWSA-N -1 0 327.352 3.651 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC2(c3ccc(Cl)cc3)CCC2)c(F)c1 ZINC000478844137 1129278285 /nfs/dbraw/zinc/27/82/85/1129278285.db2.gz JOWANNVKLZMZFA-UHFFFAOYSA-N -1 0 347.773 3.987 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1F)C(C)C ZINC000478852255 1129280693 /nfs/dbraw/zinc/28/06/93/1129280693.db2.gz FHUGKZODPROBKI-KRWDZBQOSA-N -1 0 329.371 3.959 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(OC3CCC3)c(F)c2)c(F)c1 ZINC000478870021 1129285759 /nfs/dbraw/zinc/28/57/59/1129285759.db2.gz XAXJTNXCVWUWFV-UHFFFAOYSA-N -1 0 347.317 3.847 20 0 EHADRM Cc1c(CNC(=O)c2ccc(C(=O)[O-])cc2F)oc2ccc(F)cc12 ZINC000358609593 1129405760 /nfs/dbraw/zinc/40/57/60/1129405760.db2.gz PFNUMUJHYCEWGW-UHFFFAOYSA-N -1 0 345.301 3.648 20 0 EHADRM Cc1cc(=NC(=O)CCCCCO[C@@H]2CCC[C@H](C)C2)[n-]nc1C ZINC000499731892 1129426102 /nfs/dbraw/zinc/42/61/02/1129426102.db2.gz NIDAYANEANARGC-WMLDXEAASA-N -1 0 333.476 3.610 20 0 EHADRM O=C(Nc1nnc(-c2ccccn2)s1)c1cc2cc(F)ccc2o1 ZINC000117618375 1129455222 /nfs/dbraw/zinc/45/52/22/1129455222.db2.gz HANNRPZIVMRSOF-UHFFFAOYSA-N -1 0 340.339 3.738 20 0 EHADRM CC(C)Oc1c(Cl)cccc1[N-]S(=O)(=O)c1cccs1 ZINC000118301649 1129503288 /nfs/dbraw/zinc/50/32/88/1129503288.db2.gz AQASGOFLDIQHIR-UHFFFAOYSA-N -1 0 331.846 3.990 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000013249035 1129512269 /nfs/dbraw/zinc/51/22/69/1129512269.db2.gz DYDLHLGJFPYHQN-UWVGGRQHSA-N -1 0 347.720 3.964 20 0 EHADRM CC(C)(C(=O)N=c1nc(-c2ccccc2)[n-]s1)c1ccccc1F ZINC000508988256 1129619608 /nfs/dbraw/zinc/61/96/08/1129619608.db2.gz ROPXBGRBTSWDRE-UHFFFAOYSA-N -1 0 341.411 3.682 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)cc1 ZINC000347742283 1129676350 /nfs/dbraw/zinc/67/63/50/1129676350.db2.gz SRHNEQRHCBVLFD-LSDHHAIUSA-N -1 0 329.783 3.709 20 0 EHADRM O=C(CC(C1CCC1)C1CCC1)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000625128642 1129741458 /nfs/dbraw/zinc/74/14/58/1129741458.db2.gz DSNTZEQOAKFYHF-UHFFFAOYSA-N -1 0 341.411 3.575 20 0 EHADRM O=C(c1ccc(O)cc1)C1CCN(Cc2ncccc2Cl)CC1 ZINC000625230710 1129772744 /nfs/dbraw/zinc/77/27/44/1129772744.db2.gz DXAKZTAMGRAWBS-UHFFFAOYSA-N -1 0 330.815 3.536 20 0 EHADRM O=C(N=c1cc(-c2cccs2)[nH][nH]1)[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000429106933 1129774609 /nfs/dbraw/zinc/77/46/09/1129774609.db2.gz NSHUNQGXLDCVEA-CABCVRRESA-N -1 0 345.374 3.548 20 0 EHADRM CCc1ccc(O)c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000673695951 1129797112 /nfs/dbraw/zinc/79/71/12/1129797112.db2.gz OQKUYJKTHVHORE-UHFFFAOYSA-N -1 0 329.780 3.548 20 0 EHADRM Cc1ccc(-c2ncc(CN=c3[n-]nc(CC(C)C)s3)s2)o1 ZINC000347805910 1129833023 /nfs/dbraw/zinc/83/30/23/1129833023.db2.gz ZSRUSHPHRYJZGV-UHFFFAOYSA-N -1 0 334.470 3.796 20 0 EHADRM CCCOc1ccc(CN=c2[n-]nc(C3CCCCC3)o2)cc1OC ZINC000347807242 1129839578 /nfs/dbraw/zinc/83/95/78/1129839578.db2.gz DDIALDCEEGOSKB-UHFFFAOYSA-N -1 0 345.443 3.949 20 0 EHADRM CCC(CC)c1n[n-]c(=NCc2cccc3c2OCCCO3)s1 ZINC000347809419 1129847354 /nfs/dbraw/zinc/84/73/54/1129847354.db2.gz JXHQRKOUUFMSHO-UHFFFAOYSA-N -1 0 333.457 3.637 20 0 EHADRM COc1cc(CN=c2[n-]nc(C3CC3)s2)ccc1OCCC(C)C ZINC000347810829 1129850227 /nfs/dbraw/zinc/85/02/27/1129850227.db2.gz INXQIGDCQDHVKT-UHFFFAOYSA-N -1 0 347.484 3.883 20 0 EHADRM CN(C(=O)c1cc(F)c(F)c([O-])c1F)[C@@H]1CCCc2ccccc21 ZINC000543498204 1129895796 /nfs/dbraw/zinc/89/57/96/1129895796.db2.gz YVMKKLQWCMYUDE-CQSZACIVSA-N -1 0 335.325 3.959 20 0 EHADRM CSc1ccc(S(=O)(=O)Nc2ccc(F)c(C(C)=O)c2)cc1 ZINC000350514776 1129903522 /nfs/dbraw/zinc/90/35/22/1129903522.db2.gz NULYAEQWCIBJFU-UHFFFAOYSA-N -1 0 339.413 3.551 20 0 EHADRM COC(=O)c1c(C)scc1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212511693 1129909843 /nfs/dbraw/zinc/90/98/43/1129909843.db2.gz ACYBVZZDTLIIRD-UHFFFAOYSA-N -1 0 327.308 3.563 20 0 EHADRM COc1nc(Nc2ccc(C(=O)[O-])c(F)c2F)cc2ccccc21 ZINC001212512292 1129920878 /nfs/dbraw/zinc/92/08/78/1129920878.db2.gz GDFZRZLGZKCGSS-UHFFFAOYSA-N -1 0 330.290 3.963 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(Br)ccc2O)c(F)c1F ZINC001212513160 1129924132 /nfs/dbraw/zinc/92/41/32/1129924132.db2.gz BWJLYNOSEMNVDI-UHFFFAOYSA-N -1 0 344.111 3.875 20 0 EHADRM COC(=O)c1cc(C)c(C)c(Nc2ccc(C(=O)[O-])c(F)c2F)c1 ZINC001212515575 1129929049 /nfs/dbraw/zinc/92/90/49/1129929049.db2.gz CVVUEYUDOJDJLQ-UHFFFAOYSA-N -1 0 335.306 3.810 20 0 EHADRM COC(=O)/C=C/c1cccc(Nc2ccc(C(=O)[O-])c(F)c2F)c1 ZINC001212516710 1129930017 /nfs/dbraw/zinc/93/00/17/1129930017.db2.gz NXJKZFXNMCZBON-VMPITWQZSA-N -1 0 333.290 3.593 20 0 EHADRM CC[C@H](c1n[n-]c(=NCc2ccn(C(F)F)n2)s1)c1ccccc1 ZINC000347879298 1129968256 /nfs/dbraw/zinc/96/82/56/1129968256.db2.gz ITVNOVNKTUAEFD-ZDUSSCGKSA-N -1 0 349.410 3.706 20 0 EHADRM C/C(=C\C(C)(C)C)C(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000186991428 1129974912 /nfs/dbraw/zinc/97/49/12/1129974912.db2.gz HLTPDCOCWJDJNW-MDZDMXLPSA-N -1 0 349.374 3.503 20 0 EHADRM Cc1cc(CNC(=O)N=c2[n-]nc(-c3ccco3)s2)ccc1Cl ZINC000543563298 1129975501 /nfs/dbraw/zinc/97/55/01/1129975501.db2.gz HPJYHLXRGJRABH-UHFFFAOYSA-N -1 0 348.815 3.504 20 0 EHADRM O=C(CCc1cc2ccccc2o1)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000466628271 1129990064 /nfs/dbraw/zinc/99/00/64/1129990064.db2.gz NPDLWGAEDFKMLW-UHFFFAOYSA-N -1 0 343.386 3.883 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)c1ccc(C(F)F)cc1 ZINC000466629277 1129991101 /nfs/dbraw/zinc/99/11/01/1129991101.db2.gz XYBWHLORKLADPN-UHFFFAOYSA-N -1 0 325.318 3.755 20 0 EHADRM C[C@@H](Cc1n[n-]c(=NCc2cccc3c[nH]nc32)o1)CC(C)(C)C ZINC000347894265 1130068002 /nfs/dbraw/zinc/06/80/02/1130068002.db2.gz KUTVCOXJGKLKLU-LBPRGKRZSA-N -1 0 327.432 3.595 20 0 EHADRM Cc1ccc([C@H](NC(=O)c2cccc(F)c2[O-])c2ccccn2)cc1 ZINC001128709756 1130080021 /nfs/dbraw/zinc/08/00/21/1130080021.db2.gz VGOMFBVKHUSOPX-SFHVURJKSA-N -1 0 336.366 3.754 20 0 EHADRM C[C@@H](NC(=O)C[C@H](C(=O)[O-])c1ccccc1)c1c(F)cccc1Cl ZINC000674410886 1130086912 /nfs/dbraw/zinc/08/69/12/1130086912.db2.gz LOFPWNKGSYCNDJ-YPMHNXCESA-N -1 0 349.789 3.915 20 0 EHADRM CSc1cc(C)ccc1CNC(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000674901250 1130218258 /nfs/dbraw/zinc/21/82/58/1130218258.db2.gz CMFIBXOBSFEOLG-MRXNPFEDSA-N -1 0 343.448 3.592 20 0 EHADRM CCCn1nc(C)c(CN=c2[n-]nc(C[C@H](C)CC(C)(C)C)o2)c1C ZINC000347897738 1130301039 /nfs/dbraw/zinc/30/10/39/1130301039.db2.gz OKVNDBDKRINGQK-ZDUSSCGKSA-N -1 0 347.507 3.942 20 0 EHADRM CC1(C)Cc2cccc(OCC(=O)Nc3cccc(Cl)c3[O-])c2O1 ZINC000676224632 1130548344 /nfs/dbraw/zinc/54/83/44/1130548344.db2.gz GUKWFBYMEDSFRJ-UHFFFAOYSA-N -1 0 347.798 3.777 20 0 EHADRM CCCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(C)s1 ZINC000727950905 1130612610 /nfs/dbraw/zinc/61/26/10/1130612610.db2.gz KVMVSWSJOBLBIZ-GFCCVEGCSA-N -1 0 331.503 3.858 20 0 EHADRM CCN1CCc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc21 ZINC000728017090 1130617421 /nfs/dbraw/zinc/61/74/21/1130617421.db2.gz IMOJKUTZVSXJFO-UHFFFAOYSA-N -1 0 336.844 3.523 20 0 EHADRM CCCC[C@@H](CCC)OC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000730292185 1130695722 /nfs/dbraw/zinc/69/57/22/1130695722.db2.gz MZOPFFQTFPKQGC-CYBMUJFWSA-N -1 0 327.446 3.574 20 0 EHADRM C[C@H](CC(=O)[N-]S(=O)(=O)c1cccc2cnccc21)CC(C)(C)C ZINC000731771142 1130839814 /nfs/dbraw/zinc/83/98/14/1130839814.db2.gz PUIKGOBPEAJJBT-CYBMUJFWSA-N -1 0 348.468 3.502 20 0 EHADRM O=C(NCc1ccc(Cl)cc1Cl)c1n[n-]c2ccccc2c1=O ZINC000732257336 1130905684 /nfs/dbraw/zinc/90/56/84/1130905684.db2.gz KSHQJZWEDRCOKX-UHFFFAOYSA-N -1 0 348.189 3.572 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000733713725 1131073773 /nfs/dbraw/zinc/07/37/73/1131073773.db2.gz KQYWKPJGXQGUDL-UHFFFAOYSA-N -1 0 347.436 3.727 20 0 EHADRM CC(C)c1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)c2ccccc2)cc1 ZINC000737355137 1131447590 /nfs/dbraw/zinc/44/75/90/1131447590.db2.gz ZXFWSVFDNSRMEN-CQSZACIVSA-N -1 0 331.437 3.631 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000738124818 1131462781 /nfs/dbraw/zinc/46/27/81/1131462781.db2.gz OTKUKEOMRPNYLW-FWLQQBITSA-N -1 0 339.391 3.925 20 0 EHADRM Cc1cccc2cc(C(=O)[N-]S(=O)(=O)[C@H](C)c3ccccc3)oc21 ZINC000737346165 1131487324 /nfs/dbraw/zinc/48/73/24/1131487324.db2.gz FUCUZPYZUMRBOA-CYBMUJFWSA-N -1 0 343.404 3.562 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccccc2)cn1)c1cccnc1Cl ZINC000739381186 1131499982 /nfs/dbraw/zinc/49/99/82/1131499982.db2.gz DDWZKPQUIMMOHN-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM C[C@@H](CC(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1)CC(C)(C)C ZINC000737352261 1131510376 /nfs/dbraw/zinc/51/03/76/1131510376.db2.gz CPXUHSNEXYKYOD-UONOGXRCSA-N -1 0 325.474 3.656 20 0 EHADRM Cc1noc2ncc(NS(=O)(=O)/C=C/c3ccc(Cl)cc3)cc12 ZINC000742230860 1131698797 /nfs/dbraw/zinc/69/87/97/1131698797.db2.gz BCOKSTHOHDUSKF-VOTSOKGWSA-N -1 0 349.799 3.597 20 0 EHADRM CSc1ccc(OCCO[N-]C(=O)C(C)(C)c2ccccc2)cc1 ZINC000742356642 1131708827 /nfs/dbraw/zinc/70/88/27/1131708827.db2.gz SRCOQWFYGUTHBH-UHFFFAOYSA-N -1 0 345.464 3.813 20 0 EHADRM CC(C)S(=O)(=O)[N-]C(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000743495584 1131934465 /nfs/dbraw/zinc/93/44/65/1131934465.db2.gz HLCLFRAZCOOLCK-UHFFFAOYSA-N -1 0 343.857 3.537 20 0 EHADRM O=C(CCCC1CCCC1)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000744017102 1132002894 /nfs/dbraw/zinc/00/28/94/1132002894.db2.gz REUZEZXIHVFNIV-UHFFFAOYSA-N -1 0 349.496 3.731 20 0 EHADRM Cc1cccc(Nc2c(O)cc(S(=O)(=O)[O-])c3ccccc32)c1 ZINC001173808925 1132152503 /nfs/dbraw/zinc/15/25/03/1132152503.db2.gz PIHAYDHVKOHEFT-UHFFFAOYSA-N -1 0 329.377 3.844 20 0 EHADRM CC(=O)Nc1cccc(Nc2c(Cl)c(F)[n-]c(=O)c2Cl)c1 ZINC001173830460 1132161480 /nfs/dbraw/zinc/16/14/80/1132161480.db2.gz UNTVGDGFWIFGOM-UHFFFAOYSA-N -1 0 330.146 3.935 20 0 EHADRM COc1ccc(Nc2c(Cl)c(F)[n-]c(=O)c2Cl)c(OC)c1 ZINC001173890214 1132182147 /nfs/dbraw/zinc/18/21/47/1132182147.db2.gz RQXBSGHEDJFTMG-UHFFFAOYSA-N -1 0 333.146 3.994 20 0 EHADRM COc1ccc(F)cc1Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1 ZINC001173956575 1132183183 /nfs/dbraw/zinc/18/31/83/1132183183.db2.gz AVHIXBFLEWBSOS-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2ccc3c(c2)CCO3)c2ccccc21 ZINC001174011994 1132203534 /nfs/dbraw/zinc/20/35/34/1132203534.db2.gz QBEDKINFRLIBPO-UHFFFAOYSA-N -1 0 341.388 3.765 20 0 EHADRM CC(C)(C)Oc1ccc(CNC(=O)c2ccc([O-])c(Cl)c2)cn1 ZINC000182102171 1132203540 /nfs/dbraw/zinc/20/35/40/1132203540.db2.gz HQGDFBULMCFKKE-UHFFFAOYSA-N -1 0 334.803 3.548 20 0 EHADRM CN(C)C(=O)c1cccc(Nc2c(Cl)c(F)[n-]c(=O)c2Cl)c1 ZINC001174082397 1132240460 /nfs/dbraw/zinc/24/04/60/1132240460.db2.gz PZQWZCHLMGDKQZ-UHFFFAOYSA-N -1 0 344.173 3.679 20 0 EHADRM CCCC[C@@H](CC)CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000745967266 1132340624 /nfs/dbraw/zinc/34/06/24/1132340624.db2.gz ITEQWSYWRSAKOU-CYBMUJFWSA-N -1 0 329.437 3.546 20 0 EHADRM COc1ccc(C(C)=O)c(Nc2cccc(C=CC(=O)[O-])c2)c1OC ZINC001174496619 1132371733 /nfs/dbraw/zinc/37/17/33/1132371733.db2.gz QABLRLPKCYEFIL-JXMROGBWSA-N -1 0 341.363 3.748 20 0 EHADRM Cc1c(Br)nccc1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174495929 1132372160 /nfs/dbraw/zinc/37/21/60/1132372160.db2.gz XHNHVDNOEZADGD-AATRIKPKSA-N -1 0 333.185 3.994 20 0 EHADRM CCN(CCO)c1ccc(Nc2cccc(/C=C/C(=O)[O-])c2)c(C)c1 ZINC001174496413 1132372292 /nfs/dbraw/zinc/37/22/92/1132372292.db2.gz KZCJNQLONRWPMU-JXMROGBWSA-N -1 0 340.423 3.655 20 0 EHADRM COC(=O)c1c(C)ccc(Nc2cccc(/C=C/C(=O)[O-])c2)c1F ZINC001174498349 1132372649 /nfs/dbraw/zinc/37/26/49/1132372649.db2.gz BVECBUKLVJOMHX-VQHVLOKHSA-N -1 0 329.327 3.762 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2cccc(F)c2N2CCOCC2)c1 ZINC001174497573 1132373333 /nfs/dbraw/zinc/37/33/33/1132373333.db2.gz YOLYSSYBUUBBJZ-BQYQJAHWSA-N -1 0 342.370 3.504 20 0 EHADRM CC(=O)N1CCCc2ccc(Nc3cccc(/C=C/C(=O)[O-])c3)cc21 ZINC001174499685 1132374535 /nfs/dbraw/zinc/37/45/35/1132374535.db2.gz KFUAVFZVEYMKBD-JXMROGBWSA-N -1 0 336.391 3.827 20 0 EHADRM CCOc1ncccc1Nc1cccc2cc(S(=O)(=O)[O-])ccc21 ZINC001174458045 1132375458 /nfs/dbraw/zinc/37/54/58/1132375458.db2.gz ZQOAGRXCUDELNH-UHFFFAOYSA-N -1 0 344.392 3.624 20 0 EHADRM CCN(C(=O)c1ccc2[n-]c(=S)oc2c1)c1cccc(OC)c1 ZINC000746122207 1132379835 /nfs/dbraw/zinc/37/98/35/1132379835.db2.gz RIXLFYWFJMMEOP-UHFFFAOYSA-N -1 0 328.393 3.792 20 0 EHADRM CN1CCCc2cc(NC(=O)c3ccc4[n-]c(=S)oc4c3)ccc21 ZINC000746241015 1132396485 /nfs/dbraw/zinc/39/64/85/1132396485.db2.gz GMOBPTVYMRMHLL-UHFFFAOYSA-N -1 0 339.420 3.751 20 0 EHADRM CCCN(CCc1cccs1)C(=O)c1c([O-])cc(F)cc1F ZINC000185650717 1132417126 /nfs/dbraw/zinc/41/71/26/1132417126.db2.gz HWZOJWNWPYRXIZ-UHFFFAOYSA-N -1 0 325.380 3.827 20 0 EHADRM CCc1c(C)cc(Nc2ccc(OC)cc2S(=O)(=O)[O-])cc1C ZINC001174678555 1132433980 /nfs/dbraw/zinc/43/39/80/1132433980.db2.gz GVEVNAHJKICIDY-UHFFFAOYSA-N -1 0 335.425 3.865 20 0 EHADRM COc1cc(Nc2cc(-c3cccc(F)c3)no2)ccc1C(=O)[O-] ZINC001174683784 1132435693 /nfs/dbraw/zinc/43/56/93/1132435693.db2.gz DEVZCQBUQXAJEX-UHFFFAOYSA-N -1 0 328.299 3.931 20 0 EHADRM CCOc1ccc(OCC)c(Nc2ccc(C(=O)[O-])c(OC)c2)c1 ZINC001174683937 1132435755 /nfs/dbraw/zinc/43/57/55/1132435755.db2.gz VZICPSBNZFTPIU-UHFFFAOYSA-N -1 0 331.368 3.934 20 0 EHADRM COc1cc(Nc2ccc(C(F)(F)F)nc2C)ccc1C(=O)[O-] ZINC001174683110 1132435800 /nfs/dbraw/zinc/43/58/00/1132435800.db2.gz ROPFRZVEEKLXJR-UHFFFAOYSA-N -1 0 326.274 3.859 20 0 EHADRM CCOC(=O)Nc1ccc(Nc2ccc(C(=O)[O-])c(OC)c2)cc1 ZINC001174687521 1132436410 /nfs/dbraw/zinc/43/64/10/1132436410.db2.gz WWOOHUSBRGKKCK-UHFFFAOYSA-N -1 0 330.340 3.705 20 0 EHADRM COc1cc(Nc2cccc3c2OCC[C@H]3OC)ccc1C(=O)[O-] ZINC001174686044 1132436665 /nfs/dbraw/zinc/43/66/65/1132436665.db2.gz IVBMOOJNYUTWNS-OAHLLOKOSA-N -1 0 329.352 3.607 20 0 EHADRM COCCCNc1cccc(F)c1Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001174686075 1132436778 /nfs/dbraw/zinc/43/67/78/1132436778.db2.gz JQQHGPVHOOOCJY-UHFFFAOYSA-N -1 0 348.374 3.725 20 0 EHADRM CCOc1ncc(Br)cc1Nc1ccc(C(=O)[O-])s1 ZINC001174804942 1132478278 /nfs/dbraw/zinc/47/82/78/1132478278.db2.gz GZMIMRSXKCJURF-UHFFFAOYSA-N -1 0 343.202 3.746 20 0 EHADRM O=S(=O)([O-])c1cccc2cc(Nc3ccc4c(c3)OCO4)ccc21 ZINC001174866741 1132491306 /nfs/dbraw/zinc/49/13/06/1132491306.db2.gz QCLXBYZOHSMRLQ-UHFFFAOYSA-N -1 0 343.360 3.559 20 0 EHADRM O=C([O-])Cc1ccc(Nc2ccnn2-c2cccc(Cl)c2)cc1 ZINC001174949946 1132515629 /nfs/dbraw/zinc/51/56/29/1132515629.db2.gz LYPZPLPZQFHXDT-UHFFFAOYSA-N -1 0 327.771 3.896 20 0 EHADRM O=C([O-])Cc1ccc(Nc2cc(Br)cnc2Cl)cc1 ZINC001174948134 1132515747 /nfs/dbraw/zinc/51/57/47/1132515747.db2.gz WARZQWKXLFOGBT-UHFFFAOYSA-N -1 0 341.592 3.868 20 0 EHADRM COc1ccc(C(C)=O)c(Nc2ccc(CC(=O)[O-])cc2)c1Cl ZINC001174954257 1132517810 /nfs/dbraw/zinc/51/78/10/1132517810.db2.gz IEVOYEDFVFPAFQ-UHFFFAOYSA-N -1 0 333.771 3.922 20 0 EHADRM CCCCOc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(N)c1 ZINC001174999899 1132525808 /nfs/dbraw/zinc/52/58/08/1132525808.db2.gz PUFQOQROVBOJHE-UHFFFAOYSA-N -1 0 334.441 3.557 20 0 EHADRM COC(=O)c1nc2ccccc2cc1Nc1cc(C(=O)[O-])ccc1C ZINC001174982740 1132534899 /nfs/dbraw/zinc/53/48/99/1132534899.db2.gz WJKYXCAEKFJTHE-UHFFFAOYSA-N -1 0 336.347 3.772 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1N(C)c1c(N)cccc1Br ZINC001174984423 1132535592 /nfs/dbraw/zinc/53/55/92/1132535592.db2.gz OUBVORLBSDGBGW-UHFFFAOYSA-N -1 0 335.201 3.806 20 0 EHADRM O=c1[n-]c(F)c(Cl)c(Nc2c(F)cc(O)cc2F)c1Cl ZINC001175095567 1132567120 /nfs/dbraw/zinc/56/71/20/1132567120.db2.gz IWZFABQQJOJOJO-UHFFFAOYSA-N -1 0 325.073 3.961 20 0 EHADRM Cc1cc(Br)nc(Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001175161733 1132569571 /nfs/dbraw/zinc/56/95/71/1132569571.db2.gz ROVVWPUPEAWNRL-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM COc1cccc(-n2nc(C)cc2Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001175158398 1132570597 /nfs/dbraw/zinc/57/05/97/1132570597.db2.gz NIXQLKBGZZHNPM-UHFFFAOYSA-N -1 0 341.342 3.770 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(OC(F)(F)F)ccc2O)cc1F ZINC001175160370 1132571492 /nfs/dbraw/zinc/57/14/92/1132571492.db2.gz JAQCLQPLNMCDEF-UHFFFAOYSA-N -1 0 331.221 3.872 20 0 EHADRM Nc1cc2c(ccn2-c2ccc(C(=O)[O-])c(F)c2)cc1Br ZINC001175159794 1132571757 /nfs/dbraw/zinc/57/17/57/1132571757.db2.gz JRNCXHUBSDUWEZ-UHFFFAOYSA-N -1 0 349.159 3.813 20 0 EHADRM COc1cc(Nc2ccc(C(=O)[O-])c(F)c2)ccc1-n1cnc(C)c1 ZINC001175160316 1132571798 /nfs/dbraw/zinc/57/17/98/1132571798.db2.gz GSISKIOTZXFXHK-UHFFFAOYSA-N -1 0 341.342 3.770 20 0 EHADRM Nc1cc(Br)cc(Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001175161061 1132571854 /nfs/dbraw/zinc/57/18/54/1132571854.db2.gz QXOBDZIAIVCOQW-UHFFFAOYSA-N -1 0 325.137 3.612 20 0 EHADRM Nc1ccc(F)c(Br)c1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175162295 1132586010 /nfs/dbraw/zinc/58/60/10/1132586010.db2.gz RLMFDVHMOJPMNO-UHFFFAOYSA-N -1 0 343.127 3.751 20 0 EHADRM O=C(c1ccccc1)N1CCC[C@@H](Nc2cc([S-])cc([S-])c2)C1 ZINC001168900082 1132591910 /nfs/dbraw/zinc/59/19/10/1132591910.db2.gz UPOBUMURLVACKT-CQSZACIVSA-N -1 0 344.505 3.981 20 0 EHADRM O=C([O-])c1cc(Nc2cccc(C(=O)N3CCCCC3)c2)ccc1F ZINC001175219038 1132597804 /nfs/dbraw/zinc/59/78/04/1132597804.db2.gz SRFVIZAVRAGDQU-UHFFFAOYSA-N -1 0 342.370 3.894 20 0 EHADRM CCOC(=O)c1cc(F)c(C)c(Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC001175220822 1132598855 /nfs/dbraw/zinc/59/88/55/1132598855.db2.gz BUIFOUZUJFNGOY-UHFFFAOYSA-N -1 0 335.306 3.892 20 0 EHADRM CCOc1cc(F)ccc1Nc1c(C)cc(C)cc1S(=O)(=O)[O-] ZINC001175290125 1132615014 /nfs/dbraw/zinc/61/50/14/1132615014.db2.gz OETLIYHDZXFZNG-UHFFFAOYSA-N -1 0 339.388 3.832 20 0 EHADRM Nc1cc(C(F)(F)F)cnc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175314573 1132634958 /nfs/dbraw/zinc/63/49/58/1132634958.db2.gz HXELNBPMSZHGNH-UHFFFAOYSA-N -1 0 331.681 3.778 20 0 EHADRM O=C([O-])c1ccc(Nc2cnc3c(C4CC4)cnn3c2)cc1Cl ZINC001175315120 1132635890 /nfs/dbraw/zinc/63/58/90/1132635890.db2.gz NCYZSTKUZGWKDY-UHFFFAOYSA-N -1 0 328.759 3.702 20 0 EHADRM COCCOc1ccc(F)cc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175318863 1132637271 /nfs/dbraw/zinc/63/72/71/1132637271.db2.gz IYSWTBDGUGKRLQ-UHFFFAOYSA-N -1 0 339.750 3.946 20 0 EHADRM COC(=O)c1nc2cc(Nc3ccc(C(=O)[O-])c(Cl)c3)ccc2o1 ZINC001175320642 1132638008 /nfs/dbraw/zinc/63/80/08/1132638008.db2.gz HZTYOSWDXGYWGX-UHFFFAOYSA-N -1 0 346.726 3.710 20 0 EHADRM O=C([O-])c1ccc(Nc2c(F)cccc2OC2COC2)cc1Cl ZINC001175320948 1132638067 /nfs/dbraw/zinc/63/80/67/1132638067.db2.gz KEGXIRITGZTDES-UHFFFAOYSA-N -1 0 337.734 3.699 20 0 EHADRM CNC(=O)c1ccc(Nc2ccc(C(=O)[O-])c(Cl)c2)cc1Cl ZINC001175320914 1132638249 /nfs/dbraw/zinc/63/82/49/1132638249.db2.gz WGNUFLVLCXFETK-UHFFFAOYSA-N -1 0 339.178 3.795 20 0 EHADRM O=C([O-])c1cccc(Nc2cnc(Br)c(Cl)c2)c1 ZINC001175327879 1132640246 /nfs/dbraw/zinc/64/02/46/1132640246.db2.gz ZGBWXCNWVKOPEK-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM COC(=O)c1ccc(Nc2cccc(C(=O)[O-])c2)c(C(F)(F)F)c1 ZINC001175331342 1132641236 /nfs/dbraw/zinc/64/12/36/1132641236.db2.gz XFVGBRXPNXMSRV-UHFFFAOYSA-N -1 0 339.269 3.934 20 0 EHADRM Nc1c(F)cccc1N(c1cccc(C(=O)[O-])c1)[C@H]1CC[C@H](O)CC1 ZINC001175334702 1132642066 /nfs/dbraw/zinc/64/20/66/1132642066.db2.gz JPSDXBFHZAKPEX-CTYIDZIISA-N -1 0 344.386 3.548 20 0 EHADRM COc1cccc(Nc2cccc(C(=O)[O-])c2)c1C(=O)C(F)(F)F ZINC001175335144 1132642212 /nfs/dbraw/zinc/64/22/12/1132642212.db2.gz VSLZKMJFQMUYMI-UHFFFAOYSA-N -1 0 339.269 3.882 20 0 EHADRM COc1ncc(C)cc1Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1 ZINC001175337518 1132642938 /nfs/dbraw/zinc/64/29/38/1132642938.db2.gz QSDZLOZYUNTGGS-UHFFFAOYSA-N -1 0 344.392 3.542 20 0 EHADRM Cn1cc2c(cccc2Nc2c(Cl)c(F)[n-]c(=O)c2Cl)n1 ZINC001175589050 1132705260 /nfs/dbraw/zinc/70/52/60/1132705260.db2.gz LNODPYAJTYEUFE-UHFFFAOYSA-N -1 0 327.146 3.863 20 0 EHADRM CSc1ccc(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)cn1 ZINC001175657847 1132732105 /nfs/dbraw/zinc/73/21/05/1132732105.db2.gz OLSMFTDMYYWYBG-UHFFFAOYSA-N -1 0 346.433 3.947 20 0 EHADRM COc1c(Br)cc(C(C)C)cc1NCc1cc(=O)[n-]o1 ZINC001169493079 1132770643 /nfs/dbraw/zinc/77/06/43/1132770643.db2.gz SFRSSBLEUBKTLQ-UHFFFAOYSA-N -1 0 341.205 3.887 20 0 EHADRM CCN(c1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1)C(C)C ZINC000766737869 1132782471 /nfs/dbraw/zinc/78/24/71/1132782471.db2.gz GPZOKOHOJGHUQI-UHFFFAOYSA-N -1 0 326.396 3.872 20 0 EHADRM Cn1ccc2c1cccc2Nc1ccc(S(=O)(=O)[O-])cc1Cl ZINC001175867655 1132787935 /nfs/dbraw/zinc/78/79/35/1132787935.db2.gz YBZSNHDEBZSVOL-UHFFFAOYSA-N -1 0 336.800 3.822 20 0 EHADRM O=S(=O)([O-])c1ccc(Cl)c(Nc2ccc3scnc3c2)c1 ZINC001175913204 1132795754 /nfs/dbraw/zinc/79/57/54/1132795754.db2.gz BDNCXUFLYSPEPN-UHFFFAOYSA-N -1 0 340.813 3.940 20 0 EHADRM O=C([O-])CNC(=O)c1ccc(Nc2ccc(F)c3ccccc23)cc1 ZINC001175954032 1132810990 /nfs/dbraw/zinc/81/09/90/1132810990.db2.gz PLWWZAPZEVQDER-UHFFFAOYSA-N -1 0 338.338 3.537 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@H](c2ccccc2)C(C)C)cc1 ZINC000103328709 1132824816 /nfs/dbraw/zinc/82/48/16/1132824816.db2.gz LPBRHBBOZQPNNK-SFHVURJKSA-N -1 0 345.464 3.630 20 0 EHADRM O=C([O-])Cn1cc(Nc2c(Br)ccc3ccccc32)cn1 ZINC001176269434 1132898097 /nfs/dbraw/zinc/89/80/97/1132898097.db2.gz LHUSULKKTOLCBK-UHFFFAOYSA-N -1 0 346.184 3.627 20 0 EHADRM O=c1cc(Nc2ccc(OCc3ccccc3)nc2)nc(Cl)[n-]1 ZINC001176305577 1132909675 /nfs/dbraw/zinc/90/96/75/1132909675.db2.gz IAVCJOYMDJZYHV-UHFFFAOYSA-N -1 0 328.759 3.553 20 0 EHADRM Cc1ccc(F)cc1[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000766892877 1132911684 /nfs/dbraw/zinc/91/16/84/1132911684.db2.gz XFQVPVPAFNLJPU-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM O=C([O-])c1cc(Nc2ccc(OC[C@@H]3CCCO3)c(F)c2)cs1 ZINC001176439070 1132928889 /nfs/dbraw/zinc/92/88/89/1132928889.db2.gz ITZLGSXOUUSJKT-LBPRGKRZSA-N -1 0 337.372 3.887 20 0 EHADRM O=C([O-])c1cc(Nc2ccn3c(Br)cnc3c2)cs1 ZINC001176437043 1132929269 /nfs/dbraw/zinc/92/92/69/1132929269.db2.gz SGKXGNWGRZHKRL-UHFFFAOYSA-N -1 0 338.186 3.600 20 0 EHADRM CC(=O)c1c(C)cc(NC(=O)c2nn(-c3ccccc3)cc2[O-])cc1C ZINC001176407661 1132932518 /nfs/dbraw/zinc/93/25/18/1132932518.db2.gz NEWMECBOEQOGDR-UHFFFAOYSA-N -1 0 349.390 3.650 20 0 EHADRM CC(C)Oc1cccc(CC(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC000767093176 1132948870 /nfs/dbraw/zinc/94/88/70/1132948870.db2.gz SJXQBZZEUUZSAW-FLIBITNWSA-N -1 0 339.391 3.753 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3c[nH]c(=O)c(C(F)(F)F)c3)cc2)CC1 ZINC001176584435 1132960787 /nfs/dbraw/zinc/96/07/87/1132960787.db2.gz LOFPIOVNWSSBLG-UHFFFAOYSA-N -1 0 338.285 3.666 20 0 EHADRM COC(=O)/C=C/c1cccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1 ZINC001176587844 1132961478 /nfs/dbraw/zinc/96/14/78/1132961478.db2.gz CRAVJKSNNZLFJT-BJMVGYQFSA-N -1 0 337.375 3.733 20 0 EHADRM COc1ccc(Cn2nccc2Nc2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC001176591394 1132962779 /nfs/dbraw/zinc/96/27/79/1132962779.db2.gz GYNIQBNPTUPRMF-IZZDOVSWSA-N -1 0 349.390 3.781 20 0 EHADRM COC(=O)c1ccc(C)c(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1 ZINC001176589618 1132962898 /nfs/dbraw/zinc/96/28/98/1132962898.db2.gz IOBOISRIPJEXET-UHFFFAOYSA-N -1 0 325.364 3.641 20 0 EHADRM CCOC(=O)c1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)c(OC)c1 ZINC001176596105 1132964437 /nfs/dbraw/zinc/96/44/37/1132964437.db2.gz XHULPIXTNBTSGR-IZZDOVSWSA-N -1 0 341.363 3.713 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2c(O)cccc2Br)cc1 ZINC001176596000 1132964563 /nfs/dbraw/zinc/96/45/63/1132964563.db2.gz ZQWQTGGVXSEICQ-RMKNXTFCSA-N -1 0 334.169 3.996 20 0 EHADRM O=C([O-])c1ccc(Nc2ncc(Br)cc2Cl)cc1 ZINC001176706991 1132994748 /nfs/dbraw/zinc/99/47/48/1132994748.db2.gz DDCNVRDBXCBZLR-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM CCOc1cc(Nc2ccc(C(=O)[O-])cc2)cnc1Br ZINC001176711202 1132994964 /nfs/dbraw/zinc/99/49/64/1132994964.db2.gz MGVDTPYVBYPRHS-UHFFFAOYSA-N -1 0 337.173 3.685 20 0 EHADRM O=C([O-])c1ccc(Nc2cn3c(cccc3Br)n2)cc1 ZINC001176710807 1132995383 /nfs/dbraw/zinc/99/53/83/1132995383.db2.gz OCKPNRAVJFSTAE-UHFFFAOYSA-N -1 0 332.157 3.539 20 0 EHADRM Nc1cc2c(ccn2-c2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC001176715223 1132995902 /nfs/dbraw/zinc/99/59/02/1132995902.db2.gz KCTYEKKISHHRQN-UHFFFAOYSA-N -1 0 331.169 3.673 20 0 EHADRM Nc1cccc2c(Br)cn(-c3ccc(C(=O)[O-])cc3)c21 ZINC001176714599 1132996128 /nfs/dbraw/zinc/99/61/28/1132996128.db2.gz QHFSRRPDJVQQGU-UHFFFAOYSA-N -1 0 331.169 3.673 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)C[C@@H](C)CC(C)(C)C ZINC000767568883 1133021056 /nfs/dbraw/zinc/02/10/56/1133021056.db2.gz SIIMLNZSFJVFBV-LLVKDONJSA-N -1 0 345.892 3.916 20 0 EHADRM Cn1ccc(C(=O)Nc2ccc(C3CC3)c3ccccc23)c1CC(=O)[O-] ZINC001177367830 1133057961 /nfs/dbraw/zinc/05/79/61/1133057961.db2.gz WHAGIOKYYOFMRU-UHFFFAOYSA-N -1 0 348.402 3.935 20 0 EHADRM Cc1c(Cl)cc(NC(=O)Cc2cncc(F)c2)c([O-])c1Cl ZINC001177386703 1133060517 /nfs/dbraw/zinc/06/05/17/1133060517.db2.gz OCCWCQYMHOBICF-UHFFFAOYSA-N -1 0 329.158 3.723 20 0 EHADRM CCOC(=O)[C@H](CCCC(C)C)NC(=O)c1ccc(Cl)c([O-])c1 ZINC001177426250 1133060533 /nfs/dbraw/zinc/06/05/33/1133060533.db2.gz WNAMBIGRSVQZTD-AWEZNQCLSA-N -1 0 341.835 3.533 20 0 EHADRM CC(=O)[C@H](Cc1ccccc1F)OC(=O)c1ccc([O-])c(Cl)c1 ZINC000768374501 1133132103 /nfs/dbraw/zinc/13/21/03/1133132103.db2.gz RQAPDNUEGRWMID-INIZCTEOSA-N -1 0 336.746 3.542 20 0 EHADRM Cn1c(NC(=O)c2c([O-])cccc2Cl)nc2c1cccc2Cl ZINC000768572132 1133157325 /nfs/dbraw/zinc/15/73/25/1133157325.db2.gz DXBWHGQDHFBMKS-UHFFFAOYSA-N -1 0 336.178 3.838 20 0 EHADRM CC(=O)c1cc(F)c([O-])c(NC(=O)[C@@H]2Cc3ccc(C)cc3S2)c1 ZINC001178428950 1133167954 /nfs/dbraw/zinc/16/79/54/1133167954.db2.gz XRARUFOWQLHDMD-INIZCTEOSA-N -1 0 345.395 3.698 20 0 EHADRM CC(=O)c1cc(F)c([O-])c(NC(=O)c2cc3c(s2)CCCC3)c1 ZINC001178428873 1133168418 /nfs/dbraw/zinc/16/84/18/1133168418.db2.gz VBOMAKADZYGLPW-UHFFFAOYSA-N -1 0 333.384 3.927 20 0 EHADRM O=C(N[C@@H](c1ccccn1)C1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC001178523595 1133175675 /nfs/dbraw/zinc/17/56/75/1133175675.db2.gz OXYSOICJJIJRCU-CQSZACIVSA-N -1 0 337.206 3.975 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N[C@H]2CCCC3(CC3)C2)n1 ZINC001178995356 1133219554 /nfs/dbraw/zinc/21/95/54/1133219554.db2.gz WQJRLFRYOJHAHW-HNNXBMFYSA-N -1 0 339.439 3.593 20 0 EHADRM CCOc1ccc([C@@H](C)[N-]C(=O)C(F)(F)C(F)(F)Cl)cc1 ZINC001179781419 1133279182 /nfs/dbraw/zinc/27/91/82/1133279182.db2.gz AWLOYKFPLPOQCI-MRVPVSSYSA-N -1 0 327.705 3.729 20 0 EHADRM O=C(CSc1ccc2ccccc2n1)Nc1ccc(F)c(O)c1 ZINC001180034363 1133319244 /nfs/dbraw/zinc/31/92/44/1133319244.db2.gz QERDKZRCPOPOFS-UHFFFAOYSA-N -1 0 328.368 3.810 20 0 EHADRM Cc1ccc(C(=O)Nc2cc(N3CCCC3=O)ccc2F)c(O)c1C ZINC000769707119 1133332594 /nfs/dbraw/zinc/33/25/94/1133332594.db2.gz XGGNXYZRSKGLFU-UHFFFAOYSA-N -1 0 342.370 3.527 20 0 EHADRM Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c1 ZINC000770478912 1133438576 /nfs/dbraw/zinc/43/85/76/1133438576.db2.gz NJOHZVDDCUWCIZ-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CCO[C@H]1C[C@H](NC(=O)c2ccc3[n-]c(=S)oc3c2)C12CCCC2 ZINC000746328013 1133509409 /nfs/dbraw/zinc/50/94/09/1133509409.db2.gz PNSJYJGYSWPEFH-GJZGRUSLSA-N -1 0 346.452 3.584 20 0 EHADRM [O-]c1ccc(Cl)cc1-c1nc(Cc2ccc3c[nH]nc3c2)no1 ZINC000771488440 1133563611 /nfs/dbraw/zinc/56/36/11/1133563611.db2.gz FMVGGZGBATXFEG-UHFFFAOYSA-N -1 0 326.743 3.563 20 0 EHADRM O=C(/C=C/c1ccnc(Cl)c1)Nc1cc(F)cc(Cl)c1[O-] ZINC000771504779 1133567122 /nfs/dbraw/zinc/56/71/22/1133567122.db2.gz MXIKXMWDZSGXEC-OWOJBTEDSA-N -1 0 327.142 3.885 20 0 EHADRM [O-]c1c(Cl)cccc1-c1nc(-c2ccc(OC(F)F)cn2)no1 ZINC000771606211 1133577139 /nfs/dbraw/zinc/57/71/39/1133577139.db2.gz RFMJLGPOMBEZGY-UHFFFAOYSA-N -1 0 339.685 3.759 20 0 EHADRM Cc1cc(C)n(-c2ccc(NC(=O)c3c([O-])cccc3F)cc2)n1 ZINC000771992808 1133625535 /nfs/dbraw/zinc/62/55/35/1133625535.db2.gz MTBQSXFBYQPREK-UHFFFAOYSA-N -1 0 325.343 3.586 20 0 EHADRM O=C(Nc1ccc(-n2cnc3ccccc32)nc1)c1c([O-])cccc1F ZINC000772072583 1133640647 /nfs/dbraw/zinc/64/06/47/1133640647.db2.gz TWPFPWGDEFSUPZ-UHFFFAOYSA-N -1 0 348.337 3.518 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2CCc3cc(C)ccc32)n1 ZINC000774356728 1133669348 /nfs/dbraw/zinc/66/93/48/1133669348.db2.gz LQYOMHZJDPZGDB-UHFFFAOYSA-N -1 0 347.418 3.652 20 0 EHADRM Cc1c(Cl)cc(NC(=O)[C@](C)(O)c2ccccc2)c([O-])c1Cl ZINC001182935350 1133753863 /nfs/dbraw/zinc/75/38/63/1133753863.db2.gz YNCZTFPXNUUAFP-MRXNPFEDSA-N -1 0 340.206 3.854 20 0 EHADRM CCC1(CC)[C@H](NC(=O)c2cc(F)cc(Cl)c2[O-])[C@@H](C)[C@H]1OC ZINC001183093151 1133767937 /nfs/dbraw/zinc/76/79/37/1133767937.db2.gz LIWDTKQDHOCKSL-DFKRKDTASA-N -1 0 343.826 3.754 20 0 EHADRM O=C(Cc1ccc([S-])cc1)Nc1cc(F)c(Cl)nc1Cl ZINC001183186255 1133776938 /nfs/dbraw/zinc/77/69/38/1133776938.db2.gz KNROXVNVEKOOBL-UHFFFAOYSA-N -1 0 331.199 3.997 20 0 EHADRM O=C(Cc1ccc([S-])cc1)N1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC001183190072 1133777431 /nfs/dbraw/zinc/77/74/31/1133777431.db2.gz AUKREPCITWARCB-QGZVFWFLSA-N -1 0 347.867 3.771 20 0 EHADRM O=C(Cc1ccc([S-])cc1)NCc1cc(-c2ccccc2F)no1 ZINC001183191704 1133777928 /nfs/dbraw/zinc/77/79/28/1133777928.db2.gz DSVMAXBUYQLTRJ-UHFFFAOYSA-N -1 0 342.395 3.628 20 0 EHADRM O=C([N-]Cc1ccnc(Oc2ccccc2F)c1)C(F)(F)C(F)F ZINC000786016020 1133786675 /nfs/dbraw/zinc/78/66/75/1133786675.db2.gz XNONEBPUNXZOLA-UHFFFAOYSA-N -1 0 346.255 3.530 20 0 EHADRM CNc1cnc(-c2cc(Cl)c([O-])c(Cl)c2)cc1C(=O)OC ZINC001242850925 1133844677 /nfs/dbraw/zinc/84/46/77/1133844677.db2.gz CRTZBUHCJWJBTI-UHFFFAOYSA-N -1 0 327.167 3.589 20 0 EHADRM O=C([N-]CCCSCc1c(F)cccc1Cl)C(F)(F)F ZINC000774678918 1133851122 /nfs/dbraw/zinc/85/11/22/1133851122.db2.gz CNAXCVARFYBYLU-UHFFFAOYSA-N -1 0 329.746 3.781 20 0 EHADRM Cc1oc2ccc(NC(=O)c3n[n-]c4ccccc4c3=O)cc2c1C ZINC000774778984 1133986649 /nfs/dbraw/zinc/98/66/49/1133986649.db2.gz VVWBVVZDDNXDJC-UHFFFAOYSA-N -1 0 333.347 3.951 20 0 EHADRM CC(C)(C)c1ccc(O)c([N-]S(=O)(=O)c2cccnc2Cl)c1 ZINC001184875075 1134000945 /nfs/dbraw/zinc/00/09/45/1134000945.db2.gz DRQFVBWMKPTBEZ-UHFFFAOYSA-N -1 0 340.832 3.539 20 0 EHADRM Cc1cc(NS(=O)(=O)Cc2cc(F)cc(F)c2)nc2ccccc12 ZINC001185083338 1134034287 /nfs/dbraw/zinc/03/42/87/1134034287.db2.gz AHOHMPYAVVJVAZ-UHFFFAOYSA-N -1 0 348.374 3.763 20 0 EHADRM O=S(=O)([N-]c1cc(C(F)(F)F)cc(Cl)n1)c1ccsc1 ZINC001185350722 1134070631 /nfs/dbraw/zinc/07/06/31/1134070631.db2.gz JSSBPOQQTCVJOO-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM O=C([N-]OC1CCOCC1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000772712513 1134073906 /nfs/dbraw/zinc/07/39/06/1134073906.db2.gz ZSNYEALJTYCBAG-SFHVURJKSA-N -1 0 343.448 3.747 20 0 EHADRM CC(C)COc1ccc(F)cc1[N-]S(=O)(=O)c1ccsc1 ZINC001185392124 1134077909 /nfs/dbraw/zinc/07/79/09/1134077909.db2.gz KTFGERYZDWOVDW-UHFFFAOYSA-N -1 0 329.418 3.723 20 0 EHADRM O=S(=O)([N-]c1cc(F)c(OC2CCC2)c(F)c1)c1ccsc1 ZINC001185392650 1134077962 /nfs/dbraw/zinc/07/79/62/1134077962.db2.gz UGLZAFHRHSIZTH-UHFFFAOYSA-N -1 0 345.392 3.758 20 0 EHADRM O=C(C=C([O-])c1ccccc1Cl)N1CCC[C@@H]1Cc1ccccn1 ZINC001185429165 1134084519 /nfs/dbraw/zinc/08/45/19/1134084519.db2.gz QPHQESBYUBORHX-OAHLLOKOSA-N -1 0 342.826 3.542 20 0 EHADRM O=S(=O)([N-][C@@H](C1CC1)C(F)(F)F)c1cc2ccccc2s1 ZINC001185475808 1134095226 /nfs/dbraw/zinc/09/52/26/1134095226.db2.gz AJTYGLNACSCNLB-LBPRGKRZSA-N -1 0 335.372 3.521 20 0 EHADRM C[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)Nc1nc(C2CC2)cs1 ZINC000788323545 1134113252 /nfs/dbraw/zinc/11/32/52/1134113252.db2.gz WTQXQELLAZTKCN-LLVKDONJSA-N -1 0 345.424 3.700 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)Nc1nc(C)c(C)s1 ZINC000788320170 1134113466 /nfs/dbraw/zinc/11/34/66/1134113466.db2.gz MYBIOADFTQGUNY-CQSZACIVSA-N -1 0 347.440 3.830 20 0 EHADRM Cc1ccc(NC(=O)N(CC(=O)[O-])[C@@H](C)c2ccccc2)c(C)c1 ZINC000788322352 1134113556 /nfs/dbraw/zinc/11/35/56/1134113556.db2.gz OAYBMIKVPNAQKV-HNNXBMFYSA-N -1 0 326.396 3.983 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)Nc1cc(Cl)cnc1Cl ZINC001185795724 1134133984 /nfs/dbraw/zinc/13/39/84/1134133984.db2.gz QLMUNYDQXJDMKT-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(CC(C)(C)C)no1 ZINC001185794835 1134134342 /nfs/dbraw/zinc/13/43/42/1134134342.db2.gz BLTZXMDIEYZYCF-UHFFFAOYSA-N -1 0 326.393 3.512 20 0 EHADRM COC[C@@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)c1ccc(F)cc1 ZINC000074224415 1134135396 /nfs/dbraw/zinc/13/53/96/1134135396.db2.gz VGNRTKUFWMKKJC-CQSZACIVSA-N -1 0 346.383 3.747 20 0 EHADRM C[C@H](NC(=O)Nc1ncc(Br)cc1[O-])C1CCCCC1 ZINC001186363962 1134202302 /nfs/dbraw/zinc/20/23/02/1134202302.db2.gz SIOVZHZWABEMFN-VIFPVBQESA-N -1 0 342.237 3.640 20 0 EHADRM O=S(=O)([N-]c1ncc2ccccc2n1)c1csc2ccccc21 ZINC001186452321 1134214181 /nfs/dbraw/zinc/21/41/81/1134214181.db2.gz PIPFEDBIAPCEAR-UHFFFAOYSA-N -1 0 341.417 3.645 20 0 EHADRM O=S(=O)([N-]c1cc(-c2ccco2)no1)c1csc2ccccc12 ZINC001186454581 1134215088 /nfs/dbraw/zinc/21/50/88/1134215088.db2.gz GNPPTHFDBPOAMG-UHFFFAOYSA-N -1 0 346.389 3.950 20 0 EHADRM O=S(=O)([N-]c1cccc2c1OCC2)c1csc2ccccc21 ZINC001186495887 1134222641 /nfs/dbraw/zinc/22/26/41/1134222641.db2.gz VNPIRGURSCLPGA-UHFFFAOYSA-N -1 0 331.418 3.637 20 0 EHADRM O=S(=O)([N-]c1ccnnc1)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC001186607774 1134236177 /nfs/dbraw/zinc/23/61/77/1134236177.db2.gz UIUIQPOZPQEUOW-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM O=S(=O)([N-]c1cccnn1)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC001186607364 1134239406 /nfs/dbraw/zinc/23/94/06/1134239406.db2.gz LZWLISVPKZGLOK-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM Cc1cc(NC(=O)c2cc(F)c(F)c([O-])c2F)cnc1OC(C)C ZINC001186770270 1134255776 /nfs/dbraw/zinc/25/57/76/1134255776.db2.gz DFGRHWCLFNQFHP-UHFFFAOYSA-N -1 0 340.301 3.552 20 0 EHADRM COc1cccc(-c2ccc([N-]S(=O)(=O)c3ccco3)cc2)c1 ZINC001186851758 1134260485 /nfs/dbraw/zinc/26/04/85/1134260485.db2.gz PZHCCSLJTRDWAO-UHFFFAOYSA-N -1 0 329.377 3.756 20 0 EHADRM O=S(=O)([N-]c1cc(-c2ccccc2)nn1C1CCC1)c1ccco1 ZINC001186820582 1134262649 /nfs/dbraw/zinc/26/26/49/1134262649.db2.gz QYYLREFAPPTHCS-UHFFFAOYSA-N -1 0 343.408 3.669 20 0 EHADRM CCCCC[C@H](NS(=O)(=O)c1cnc(CC)s1)C(C)(C)C ZINC001186922027 1134275532 /nfs/dbraw/zinc/27/55/32/1134275532.db2.gz SJHAKEPTRHUWFU-LBPRGKRZSA-N -1 0 332.535 3.979 20 0 EHADRM CCCCCC(=O)[N-]S(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000789530408 1134291952 /nfs/dbraw/zinc/29/19/52/1134291952.db2.gz SNERMPPWAPNMFL-UHFFFAOYSA-N -1 0 341.473 3.512 20 0 EHADRM Cn1ccc2cc([N-]S(=O)(=O)c3cc4c(s3)CCCC4)ccc21 ZINC001187206969 1134313774 /nfs/dbraw/zinc/31/37/74/1134313774.db2.gz NFTIKCIRKRDUDR-UHFFFAOYSA-N -1 0 346.477 3.919 20 0 EHADRM CCCCCCOc1ccc([N-]S(=O)(=O)c2cnoc2C)cc1 ZINC001187369016 1134327649 /nfs/dbraw/zinc/32/76/49/1134327649.db2.gz MMNSLTMNXVADIG-UHFFFAOYSA-N -1 0 338.429 3.743 20 0 EHADRM COCCC1(CNc2cc3c(c(C(=O)[O-])c2)OCCO3)CCCCC1 ZINC000789901836 1134347990 /nfs/dbraw/zinc/34/79/90/1134347990.db2.gz DTBGGDUATHEJJB-UHFFFAOYSA-N -1 0 349.427 3.555 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc3ocnc32)ccc1OC(C)C ZINC000790004235 1134358003 /nfs/dbraw/zinc/35/80/03/1134358003.db2.gz CLBGXSGMOKKNHU-UHFFFAOYSA-N -1 0 346.408 3.724 20 0 EHADRM O=S(=O)([N-]c1cccc(-c2cccc(F)c2)c1)c1nccs1 ZINC001187890153 1134398435 /nfs/dbraw/zinc/39/84/35/1134398435.db2.gz CWJNLIBJUIRZDV-UHFFFAOYSA-N -1 0 334.397 3.750 20 0 EHADRM COc1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c1 ZINC001187925226 1134401329 /nfs/dbraw/zinc/40/13/29/1134401329.db2.gz JOHMLBVFFBBUNY-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CCCc1ccnc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c1 ZINC001187933855 1134401996 /nfs/dbraw/zinc/40/19/96/1134401996.db2.gz MPJSXWZUMQLSIM-UHFFFAOYSA-N -1 0 346.239 3.537 20 0 EHADRM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1ccccc1C(F)F ZINC001188283360 1134450070 /nfs/dbraw/zinc/45/00/70/1134450070.db2.gz BXMZGJXCFDOUKZ-UHFFFAOYSA-N -1 0 329.306 3.768 20 0 EHADRM O=S(=O)([N-]c1nccc2ccncc21)c1ccc2ccccc2c1 ZINC000790641867 1134450266 /nfs/dbraw/zinc/45/02/66/1134450266.db2.gz FFURLGLPVZWBGI-UHFFFAOYSA-N -1 0 335.388 3.584 20 0 EHADRM O=S(=O)([N-]c1ccc2sc(C(F)(F)F)nc2c1)c1ccoc1 ZINC001188614147 1134482345 /nfs/dbraw/zinc/48/23/45/1134482345.db2.gz KAHXLIHTOUYKQJ-UHFFFAOYSA-N -1 0 348.327 3.709 20 0 EHADRM O=C(Nc1cc(-c2cccc(C(F)(F)F)c2)no1)c1ccncc1[O-] ZINC001188628529 1134490991 /nfs/dbraw/zinc/49/09/91/1134490991.db2.gz DDTPGDBWGOUHIZ-UHFFFAOYSA-N -1 0 349.268 3.713 20 0 EHADRM O=C(Nc1cc(C(F)(F)F)cc2ncccc21)c1ccncc1[O-] ZINC001188637519 1134492321 /nfs/dbraw/zinc/49/23/21/1134492321.db2.gz ZWPIPMIQKYJOEN-UHFFFAOYSA-N -1 0 333.269 3.607 20 0 EHADRM O=S(=O)([N-]c1ccoc1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001188721122 1134500926 /nfs/dbraw/zinc/50/09/26/1134500926.db2.gz RLOWAQXNPGVSCJ-UHFFFAOYSA-N -1 0 325.695 3.753 20 0 EHADRM O=S(=O)([N-]c1cccc(F)n1)c1ccc2oc3ccccc3c2c1 ZINC000775200830 1134509567 /nfs/dbraw/zinc/50/95/67/1134509567.db2.gz GDWSOSPBQFGMIC-UHFFFAOYSA-N -1 0 342.351 3.921 20 0 EHADRM CCO[C@H](C)c1nc(COC(=O)c2c(F)cc([O-])cc2F)cs1 ZINC000746983698 1134511852 /nfs/dbraw/zinc/51/18/52/1134511852.db2.gz BANAJWRDYPSIHR-MRVPVSSYSA-N -1 0 343.351 3.581 20 0 EHADRM Cc1ccccc1-c1cnc(COC(=O)c2c(F)cc([O-])cc2F)o1 ZINC000746984588 1134517202 /nfs/dbraw/zinc/51/72/02/1134517202.db2.gz FVPBTZYZEYTEQN-UHFFFAOYSA-N -1 0 345.301 3.991 20 0 EHADRM CC(C)(C)c1cc(C(=O)Nc2ccc3[n-]c(=S)sc3c2)n[nH]1 ZINC001189248308 1134557106 /nfs/dbraw/zinc/55/71/06/1134557106.db2.gz YRHVSWXAWBXULR-UHFFFAOYSA-N -1 0 332.454 3.858 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)n(C(C)C)n1 ZINC001189354912 1134579902 /nfs/dbraw/zinc/57/99/02/1134579902.db2.gz BFIOWDIURHGRLL-UHFFFAOYSA-N -1 0 347.415 3.866 20 0 EHADRM CCc1cccnc1[N-]S(=O)(=O)c1ccc(F)c2ccccc21 ZINC001189357643 1134580873 /nfs/dbraw/zinc/58/08/73/1134580873.db2.gz WVSUOKMNMANHLL-UHFFFAOYSA-N -1 0 330.384 3.737 20 0 EHADRM Cc1cccc(NS(=O)(=O)Cc2ccccc2C(F)(F)F)c1O ZINC001189529385 1134598647 /nfs/dbraw/zinc/59/86/47/1134598647.db2.gz FQPIWELFXFLNLA-UHFFFAOYSA-N -1 0 345.342 3.661 20 0 EHADRM O=S(=O)(Cc1ccccc1C(F)(F)F)Nc1ccccc1[S-] ZINC001189529313 1134598842 /nfs/dbraw/zinc/59/88/42/1134598842.db2.gz BENRPBMIUUNPNA-UHFFFAOYSA-N -1 0 347.383 3.936 20 0 EHADRM O=S(=O)(Cc1cc(F)ccc1F)[N-]c1ccccc1OC(F)F ZINC001189687305 1134611617 /nfs/dbraw/zinc/61/16/17/1134611617.db2.gz RBLMQHQZHOFLIJ-UHFFFAOYSA-N -1 0 349.305 3.508 20 0 EHADRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000775297091 1134617689 /nfs/dbraw/zinc/61/76/89/1134617689.db2.gz LNTUPFRLVBTQCQ-UHFFFAOYSA-N -1 0 337.784 3.896 20 0 EHADRM CCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000791960357 1134638432 /nfs/dbraw/zinc/63/84/32/1134638432.db2.gz HOIQSCGUCDLPDP-CQSZACIVSA-N -1 0 348.468 3.646 20 0 EHADRM O=C(Nc1cc(C2CC2)[nH]n1)c1cc(Br)ccc1[S-] ZINC001189950547 1134640594 /nfs/dbraw/zinc/64/05/94/1134640594.db2.gz DDASKIKFZNEKTQ-UHFFFAOYSA-N -1 0 338.230 3.591 20 0 EHADRM CC(C)CC(=O)[N-]S(=O)(=O)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000772794161 1134682344 /nfs/dbraw/zinc/68/23/44/1134682344.db2.gz USAMFMKWBUCXEB-VIFPVBQESA-N -1 0 338.256 3.547 20 0 EHADRM CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)cc1 ZINC001190348739 1134687024 /nfs/dbraw/zinc/68/70/24/1134687024.db2.gz WBRCCIZOXQWXEC-UHFFFAOYSA-N -1 0 345.342 3.692 20 0 EHADRM O=S(=O)([N-]c1csc2ncccc12)c1cc(F)cc(F)c1F ZINC001190353867 1134687078 /nfs/dbraw/zinc/68/70/78/1134687078.db2.gz VBKAKQJMTYKHGJ-UHFFFAOYSA-N -1 0 344.339 3.514 20 0 EHADRM O=S(=O)([N-]c1ccccc1C1CC1)c1cc(F)cc(F)c1F ZINC001190348380 1134687323 /nfs/dbraw/zinc/68/73/23/1134687323.db2.gz PSQKCJBSUGAXCC-UHFFFAOYSA-N -1 0 327.327 3.782 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ncc(C)c(C)n2)cc1 ZINC001190423380 1134698548 /nfs/dbraw/zinc/69/85/48/1134698548.db2.gz UPQHRISUHNUHSV-UHFFFAOYSA-N -1 0 333.457 3.582 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(C)nc(Cl)c2)c1 ZINC001191153819 1134802482 /nfs/dbraw/zinc/80/24/82/1134802482.db2.gz NESUXNRPMJLKSE-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cccc3c2OCCO3)cc1 ZINC001191249034 1134836411 /nfs/dbraw/zinc/83/64/11/1134836411.db2.gz LTVRIICJXFRFTQ-UHFFFAOYSA-N -1 0 347.436 3.601 20 0 EHADRM O=S(=O)(CC1CCCC1)[N-]c1cc(-c2ccc(F)c(F)c2)no1 ZINC001191481040 1134871270 /nfs/dbraw/zinc/87/12/70/1134871270.db2.gz AZKBHWAWVPGMDF-UHFFFAOYSA-N -1 0 342.367 3.552 20 0 EHADRM O=C(Nc1cccc(C(F)(F)F)c1O)c1cn(-c2ccccc2)cn1 ZINC001191595058 1134893411 /nfs/dbraw/zinc/89/34/11/1134893411.db2.gz LDPBKOPCDICYHL-UHFFFAOYSA-N -1 0 347.296 3.849 20 0 EHADRM O=S(=O)([N-][C@H](C1CCC1)C1CCCC1)c1c(F)cc(F)cc1F ZINC001191719755 1134905326 /nfs/dbraw/zinc/90/53/26/1134905326.db2.gz KGLBPIHFBMHZNA-HNNXBMFYSA-N -1 0 347.402 3.741 20 0 EHADRM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2cnn(C(C)C)c2)c1Cl ZINC001191727885 1134905741 /nfs/dbraw/zinc/90/57/41/1134905741.db2.gz AUMZOLMSMFZVTA-UHFFFAOYSA-N -1 0 348.255 3.880 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC001191821373 1134930202 /nfs/dbraw/zinc/93/02/02/1134930202.db2.gz OBRFDRPEHNYZJK-UHFFFAOYSA-N -1 0 343.807 3.987 20 0 EHADRM Cc1cncc2cccc([N-]S(=O)(=O)c3cnc(Cl)cc3C)c12 ZINC001192357897 1135005178 /nfs/dbraw/zinc/00/51/78/1135005178.db2.gz QGNPQUIOPRPNGZ-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM CC(C)(C)c1coc([N-]S(=O)(=O)c2cccc(C(F)F)c2)n1 ZINC000794042289 1135015230 /nfs/dbraw/zinc/01/52/30/1135015230.db2.gz LNJVEOWNXHKODH-UHFFFAOYSA-N -1 0 330.356 3.711 20 0 EHADRM CSCCO[N-]C(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000794187088 1135025449 /nfs/dbraw/zinc/02/54/49/1135025449.db2.gz CRWJAVZCXQCJCE-UHFFFAOYSA-N -1 0 347.402 3.928 20 0 EHADRM O=C(Nc1c(Cl)ccc([O-])c1Cl)c1cnc(C(F)F)cn1 ZINC001192566023 1135030885 /nfs/dbraw/zinc/03/08/85/1135030885.db2.gz IWLNADOTCVGGFN-UHFFFAOYSA-N -1 0 334.109 3.679 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc3cc(O)ccc32)cnc1Cl ZINC001192571651 1135038930 /nfs/dbraw/zinc/03/89/30/1135038930.db2.gz LKBWPEYCYUIBTO-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM O=C(Nc1cc(F)c(Cl)nc1Cl)c1c([O-])ccc(F)c1F ZINC001192730582 1135048458 /nfs/dbraw/zinc/04/84/58/1135048458.db2.gz ZKLUEBUEEXJORI-UHFFFAOYSA-N -1 0 337.084 3.764 20 0 EHADRM Cc1[nH]c2ccc(CNC(=O)c3c(F)ccc(F)c3[O-])cc2c1C ZINC001192716425 1135051258 /nfs/dbraw/zinc/05/12/58/1135051258.db2.gz OCKKGIPYJNHRHL-UHFFFAOYSA-N -1 0 330.334 3.699 20 0 EHADRM CCN(Cc1cccc(F)c1F)C(=O)c1ccc(F)c(F)c1[O-] ZINC001192807741 1135057391 /nfs/dbraw/zinc/05/73/91/1135057391.db2.gz WWVKKVQHWRPBBZ-UHFFFAOYSA-N -1 0 327.277 3.611 20 0 EHADRM O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1ccc(F)c(F)c1[O-] ZINC001192810891 1135058331 /nfs/dbraw/zinc/05/83/31/1135058331.db2.gz LANFGJCEPVSSNZ-ZDUSSCGKSA-N -1 0 331.240 3.704 20 0 EHADRM CCc1ccc(OC)c([N-]S(=O)(=O)c2cc(CC)ccc2OC)c1 ZINC001192819189 1135059591 /nfs/dbraw/zinc/05/95/91/1135059591.db2.gz VZLINPUJTAUGSE-UHFFFAOYSA-N -1 0 349.452 3.629 20 0 EHADRM O=C(Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1)OC1CCCC1 ZINC001193562634 1135151664 /nfs/dbraw/zinc/15/16/64/1135151664.db2.gz JFFGIIBAGYSOFJ-UHFFFAOYSA-N -1 0 335.381 3.578 20 0 EHADRM CCCCCOC(=O)Nc1cccc2cc(S(=O)(=O)[O-])ccc21 ZINC001193770438 1135177184 /nfs/dbraw/zinc/17/71/84/1135177184.db2.gz WUEUTJIGWPDKEY-UHFFFAOYSA-N -1 0 337.397 3.825 20 0 EHADRM O=C(NCCc1ccc2ccccc2c1)c1ccc(F)c([O-])c1F ZINC001193794082 1135181406 /nfs/dbraw/zinc/18/14/06/1135181406.db2.gz XJEZRVLGOXZVEK-UHFFFAOYSA-N -1 0 327.330 3.796 20 0 EHADRM COc1ccc(CNC(=O)c2ccc(F)c([O-])c2F)c2ccccc12 ZINC001193800462 1135186272 /nfs/dbraw/zinc/18/62/72/1135186272.db2.gz LCLPAGPCJAXNGA-UHFFFAOYSA-N -1 0 343.329 3.762 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)c2ccccc12 ZINC001193832951 1135190840 /nfs/dbraw/zinc/19/08/40/1135190840.db2.gz GLZPVBLGKYJEMI-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM CCCOC(=O)Nc1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC001194117828 1135228390 /nfs/dbraw/zinc/22/83/90/1135228390.db2.gz HNJCJMXZHKVZDA-UHFFFAOYSA-N -1 0 345.239 3.957 20 0 EHADRM COCCCO[N-]C(=O)[C@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC000805042298 1135228681 /nfs/dbraw/zinc/22/86/81/1135228681.db2.gz YKGARQHYHDQFHS-QGZVFWFLSA-N -1 0 349.814 3.544 20 0 EHADRM Cc1cnc([N-]S(=O)(=O)c2ccc3c(Cl)cccc3c2)nc1C ZINC001194215407 1135245007 /nfs/dbraw/zinc/24/50/07/1135245007.db2.gz BIPPIDFPTZNUMX-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cc(F)ccc1-n1cccn1 ZINC000805254693 1135254046 /nfs/dbraw/zinc/25/40/46/1135254046.db2.gz CYGQKQFIWHURFQ-UHFFFAOYSA-N -1 0 349.724 3.762 20 0 EHADRM CNc1cc(C(=O)Nc2cc(Cl)c([O-])cc2F)cc(Cl)n1 ZINC000805260096 1135254659 /nfs/dbraw/zinc/25/46/59/1135254659.db2.gz ZGSBJTDPAAEHFX-UHFFFAOYSA-N -1 0 330.146 3.527 20 0 EHADRM O=S(=O)([N-]c1ccccc1C1CC1)c1ncccc1C(F)(F)F ZINC001194529595 1135281803 /nfs/dbraw/zinc/28/18/03/1135281803.db2.gz MWWCJHWYCXOBNH-UHFFFAOYSA-N -1 0 342.342 3.779 20 0 EHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1cc(-c2cccnc2)ccn1 ZINC001194605383 1135292360 /nfs/dbraw/zinc/29/23/60/1135292360.db2.gz NSSNCPCNQGHVDV-UHFFFAOYSA-N -1 0 339.420 3.561 20 0 EHADRM O=C(Nc1ccc(F)c(O)c1)c1ccc(-c2ccc(F)cc2)cn1 ZINC001194758390 1135318083 /nfs/dbraw/zinc/31/80/83/1135318083.db2.gz HVTXOFXWAIUGGK-UHFFFAOYSA-N -1 0 326.302 3.985 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cccc3nccnc32)c2ccccc12 ZINC001194981314 1135350965 /nfs/dbraw/zinc/35/09/65/1135350965.db2.gz QVQHRFPSWHGNRN-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM COC(=O)CCc1ccc(Nc2ccc(C(=O)[O-])cc2F)cc1F ZINC001203299384 1135355148 /nfs/dbraw/zinc/35/51/48/1135355148.db2.gz LTKCLNBZUMJVTJ-UHFFFAOYSA-N -1 0 335.306 3.512 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cccnc2OC(F)F)c1 ZINC001195120815 1135373591 /nfs/dbraw/zinc/37/35/91/1135373591.db2.gz WYLGFLHTJGZYOZ-UHFFFAOYSA-N -1 0 342.367 3.607 20 0 EHADRM O=C(NCc1ccccc1OC(F)F)c1cccc(Cl)c1[O-] ZINC000775645226 1135393171 /nfs/dbraw/zinc/39/31/71/1135393171.db2.gz GBINXXRWWWJAPH-UHFFFAOYSA-N -1 0 327.714 3.577 20 0 EHADRM COc1ccc(CN(C(=O)c2cccc(Cl)c2[O-])C2CC2)cc1 ZINC000775646436 1135395049 /nfs/dbraw/zinc/39/50/49/1135395049.db2.gz JVUGZOYYXMADKG-UHFFFAOYSA-N -1 0 331.799 3.859 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1nccc2ccccc21 ZINC001195267758 1135402381 /nfs/dbraw/zinc/40/23/81/1135402381.db2.gz JXUIWCADFINZLJ-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2c(C)cccc2Cl)n(C(C)(C)C)n1 ZINC001195276666 1135403458 /nfs/dbraw/zinc/40/34/58/1135403458.db2.gz SVVAZFZDRZONLH-UHFFFAOYSA-N -1 0 341.864 3.709 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cccc2c1CCC2=O ZINC001195308009 1135410875 /nfs/dbraw/zinc/41/08/75/1135410875.db2.gz FGVQDRAMAJUNGJ-UHFFFAOYSA-N -1 0 335.812 3.578 20 0 EHADRM Cc1c2ccc([N-]S(=O)(=O)c3c(C)cccc3Cl)cc2nn1C ZINC001195310329 1135411758 /nfs/dbraw/zinc/41/17/58/1135411758.db2.gz ZMHNTYJFZMZKAO-UHFFFAOYSA-N -1 0 349.843 3.644 20 0 EHADRM CCOC([O-])=NC(=S)N=c1cc2[nH]cccc-2c(C(F)(F)F)c1 ZINC001195492702 1135432880 /nfs/dbraw/zinc/43/28/80/1135432880.db2.gz PIOVUKFAMAUOFP-UHFFFAOYSA-N -1 0 343.330 3.697 20 0 EHADRM COc1ccc(/C=C/c2ncc(/C=C\C(=O)[O-])s2)c(C)c1OC ZINC000806573532 1135463060 /nfs/dbraw/zinc/46/30/60/1135463060.db2.gz LWWZHHKYRGVZBP-OWNHSFIXSA-N -1 0 331.393 3.737 20 0 EHADRM O=S(=O)([N-]C[C@H]1CCC=CCCC1)c1c(F)cc(F)cc1F ZINC001195857454 1135476381 /nfs/dbraw/zinc/47/63/81/1135476381.db2.gz KGBATPSRDUVODA-NSHDSACASA-N -1 0 333.375 3.519 20 0 EHADRM Cc1ccc(CC(=O)Nc2ccc3[n-]c(=S)oc3c2)c(Cl)n1 ZINC000807075940 1135517742 /nfs/dbraw/zinc/51/77/42/1135517742.db2.gz MPTNWOQKOJLBPV-UHFFFAOYSA-N -1 0 333.800 3.655 20 0 EHADRM Cc1cccc2cccc([N-]S(=O)(=O)c3ccc(Cl)cn3)c12 ZINC001196250889 1135535755 /nfs/dbraw/zinc/53/57/55/1135535755.db2.gz SZTWQJSKRSJWFX-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc3cc(C)ccc3n2)c(F)c1 ZINC001196347537 1135549287 /nfs/dbraw/zinc/54/92/87/1135549287.db2.gz ZLXSKLRRZHJVNJ-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2c([S-])cccc2Cl)c(F)c1 ZINC001196387118 1135553391 /nfs/dbraw/zinc/55/33/91/1135553391.db2.gz KTAOEUBTOKXUOH-UHFFFAOYSA-N -1 0 331.821 3.877 20 0 EHADRM Cc1ccncc1[N-]S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC001196412778 1135560444 /nfs/dbraw/zinc/56/04/44/1135560444.db2.gz ROIHJELCPWUWPJ-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM COC(=O)c1c(C)scc1NC(=O)c1cc(Cl)c(F)cc1[O-] ZINC001196458045 1135570066 /nfs/dbraw/zinc/57/00/66/1135570066.db2.gz DMYFGHRHHZSZMS-UHFFFAOYSA-N -1 0 343.763 3.594 20 0 EHADRM CSc1cccc(C)c1[N-]S(=O)(=O)c1ccc(Cl)nc1C ZINC000808110145 1135619007 /nfs/dbraw/zinc/61/90/07/1135619007.db2.gz XKHKJPABSQUFGX-UHFFFAOYSA-N -1 0 342.873 3.875 20 0 EHADRM COc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)N=NC3)c(C)c1 ZINC001196885530 1135621509 /nfs/dbraw/zinc/62/15/09/1135621509.db2.gz JUHNPESIOSASOF-UHFFFAOYSA-N -1 0 331.397 3.710 20 0 EHADRM CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2ccccc2[S-])ccn1 ZINC001196903261 1135628380 /nfs/dbraw/zinc/62/83/80/1135628380.db2.gz XLQIIYANCAVSTG-UHFFFAOYSA-N -1 0 345.424 3.970 20 0 EHADRM Cc1c(Cl)cc(NC(=O)c2noc(C(C)(C)C)n2)c([O-])c1Cl ZINC001196988301 1135637418 /nfs/dbraw/zinc/63/74/18/1135637418.db2.gz JJFWAQMQCFIPLU-UHFFFAOYSA-N -1 0 344.198 3.940 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N2CCC[C@@H]2c2ccccc2)cc1 ZINC001197095189 1135644818 /nfs/dbraw/zinc/64/48/18/1135644818.db2.gz CTHKROSDPZGDTR-MRXNPFEDSA-N -1 0 326.421 3.919 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2cc(-c3ccccc3)no2)cc1 ZINC001197075804 1135647265 /nfs/dbraw/zinc/64/72/65/1135647265.db2.gz TWYXCKJPYLGAHQ-UHFFFAOYSA-N -1 0 339.376 3.849 20 0 EHADRM CCc1ccc(N2CCN(C(=O)c3cccc(Cl)c3[O-])CC2)cc1 ZINC000775757947 1135648753 /nfs/dbraw/zinc/64/87/53/1135648753.db2.gz AJWKWASFFKKITC-UHFFFAOYSA-N -1 0 344.842 3.570 20 0 EHADRM CC(=O)c1ccc([C@H](C)NC(=S)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001197136933 1135648904 /nfs/dbraw/zinc/64/89/04/1135648904.db2.gz MIWQRSYLXZSMAU-NSHDSACASA-N -1 0 342.420 3.635 20 0 EHADRM CCN(Cc1ccc(OC)cc1)C(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197103205 1135650135 /nfs/dbraw/zinc/65/01/35/1135650135.db2.gz JCZYADCTSVFJSU-UHFFFAOYSA-N -1 0 344.436 3.612 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2ccccc2-c2cnco2)cc1 ZINC001197112215 1135650840 /nfs/dbraw/zinc/65/08/40/1135650840.db2.gz PJDHNKNRZRPJHH-UHFFFAOYSA-N -1 0 339.376 3.849 20 0 EHADRM O=S(=O)(/C=C/c1cccc(Cl)c1)[N-][C@H](C1CC1)C(F)(F)F ZINC000808328269 1135652965 /nfs/dbraw/zinc/65/29/65/1135652965.db2.gz NANHELRENANPLG-NNNHXZLVSA-N -1 0 339.766 3.571 20 0 EHADRM CN1CCCN(C(=O)c2cccc(Cl)c2[O-])c2ccc(F)cc21 ZINC000775763690 1135664653 /nfs/dbraw/zinc/66/46/53/1135664653.db2.gz OZTKOSDMRPGRND-UHFFFAOYSA-N -1 0 334.778 3.671 20 0 EHADRM CC(C)(C)c1cncc(NS(=O)(=O)Cc2c(F)cccc2F)c1 ZINC001197573128 1135702054 /nfs/dbraw/zinc/70/20/54/1135702054.db2.gz UFZLADUXVXPSBX-UHFFFAOYSA-N -1 0 340.395 3.599 20 0 EHADRM CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)c1cccc(Cl)c1[O-] ZINC000775780059 1135721426 /nfs/dbraw/zinc/72/14/26/1135721426.db2.gz BXKSOLNLJCOMTG-ZIAGYGMSSA-N -1 0 325.836 3.711 20 0 EHADRM O=c1cc(CN2CCCc3occc3C2)c2cc(Cl)c([O-])cc2o1 ZINC000808797348 1135739559 /nfs/dbraw/zinc/73/95/59/1135739559.db2.gz NRMNMTARDSOIJG-UHFFFAOYSA-N -1 0 345.782 3.693 20 0 EHADRM CC1(CC(=O)[N-]S(=O)(=O)c2csc3ccccc32)CCCC1 ZINC000809013771 1135768213 /nfs/dbraw/zinc/76/82/13/1135768213.db2.gz CCYBRYDKOYQPPO-UHFFFAOYSA-N -1 0 337.466 3.677 20 0 EHADRM Cc1ncc(S(=O)(=O)[N-]c2ccc(C)cc2-c2ccccc2)n1C ZINC001198403597 1135810519 /nfs/dbraw/zinc/81/05/19/1135810519.db2.gz HTANAZWYFPLUEL-UHFFFAOYSA-N -1 0 341.436 3.505 20 0 EHADRM CCCCCCc1ccc([N-]S(=O)(=O)c2cnc(C)n2C)cc1 ZINC001198392678 1135815059 /nfs/dbraw/zinc/81/50/59/1135815059.db2.gz XFCKTIJQBGQXFY-UHFFFAOYSA-N -1 0 335.473 3.652 20 0 EHADRM Cc1cccc(NC(=S)Nc2ncc(Br)cc2O)c1 ZINC001198653321 1135842447 /nfs/dbraw/zinc/84/24/47/1135842447.db2.gz BYYODELRFCAKJT-UHFFFAOYSA-N -1 0 338.230 3.667 20 0 EHADRM Cc1cccc(C(C)(C)C)c1NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198782052 1135852710 /nfs/dbraw/zinc/85/27/10/1135852710.db2.gz BEGDRXZCSFGSAM-UHFFFAOYSA-N -1 0 347.436 3.792 20 0 EHADRM CC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198867790 1135864583 /nfs/dbraw/zinc/86/45/83/1135864583.db2.gz ATHFLQYWPLPZSB-UHFFFAOYSA-N -1 0 333.340 3.575 20 0 EHADRM O=C([O-])c1c(F)cc(Nc2cccnc2-c2ccccn2)cc1F ZINC001203323604 1135945711 /nfs/dbraw/zinc/94/57/11/1135945711.db2.gz UJNCYDOLYHRUQD-UHFFFAOYSA-N -1 0 327.290 3.864 20 0 EHADRM CCCc1cccc(C(C)C)c1NC(=O)C(=O)[N-]OC/C=C\Cl ZINC000810500920 1135967810 /nfs/dbraw/zinc/96/78/10/1135967810.db2.gz LYFZZRNXCCUWFN-POHAHGRESA-N -1 0 338.835 3.501 20 0 EHADRM COC(=O)c1ccc(Cl)cc1Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203324301 1135985355 /nfs/dbraw/zinc/98/53/55/1135985355.db2.gz HNQFDBSTDHMESB-UHFFFAOYSA-N -1 0 341.697 3.847 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)n1 ZINC001201244170 1135998678 /nfs/dbraw/zinc/99/86/78/1135998678.db2.gz CSXLTNDNWKKGTK-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM Cc1ccccc1NC(=O)Nc1ccc(Cl)cc1S(=O)(=O)[O-] ZINC001202185988 1136107635 /nfs/dbraw/zinc/10/76/35/1136107635.db2.gz PUUKFDLARXHFLM-UHFFFAOYSA-N -1 0 340.788 3.539 20 0 EHADRM O=C(Nc1cccc(Cl)c1)Nc1ncc(Br)cc1[O-] ZINC001202238894 1136118411 /nfs/dbraw/zinc/11/84/11/1136118411.db2.gz OWVLOMKSPFPXAF-UHFFFAOYSA-N -1 0 342.580 3.847 20 0 EHADRM CN(Cc1ccc(F)c(F)c1)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811814603 1136144679 /nfs/dbraw/zinc/14/46/79/1136144679.db2.gz MWLVHPRIXCFLCO-UHFFFAOYSA-N -1 0 339.725 3.589 20 0 EHADRM Cc1ccc2c(c1C)OC[C@@H]2NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811817246 1136145165 /nfs/dbraw/zinc/14/51/65/1136145165.db2.gz QSAALGRXZYKVRA-HNNXBMFYSA-N -1 0 345.782 3.519 20 0 EHADRM O=C([N-]OC/C=C\Cl)[C@@H](c1ccccc1)N1CCc2ccccc21 ZINC000812405765 1136209132 /nfs/dbraw/zinc/20/91/32/1136209132.db2.gz GUVIQVLJLGHDHL-QPLYDRNXSA-N -1 0 342.826 3.591 20 0 EHADRM CCc1cccc(NC(=S)[N-]c2ccccc2SCC(N)=O)c1 ZINC000007381155 1136239891 /nfs/dbraw/zinc/23/98/91/1136239891.db2.gz HJAMCELHQRWDBJ-UHFFFAOYSA-N -1 0 345.493 3.635 20 0 EHADRM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)CCCC1CC1 ZINC000813058916 1136283713 /nfs/dbraw/zinc/28/37/13/1136283713.db2.gz PWZGOULXXWZXKR-UHFFFAOYSA-N -1 0 337.485 3.678 20 0 EHADRM Nc1c(Cl)cc([N-]S(=O)(=O)c2ccccc2F)cc1Cl ZINC000007708689 1136330691 /nfs/dbraw/zinc/33/06/91/1136330691.db2.gz ZONWXLPFLHVXIT-UHFFFAOYSA-N -1 0 335.187 3.516 20 0 EHADRM CCCC[C@@](C)(F)C(=O)[N-]S(=O)(=O)[C@@H](CC)c1ccccc1 ZINC000851043003 1136331762 /nfs/dbraw/zinc/33/17/62/1136331762.db2.gz BBDCLUIJSHSINS-GOEBONIOSA-N -1 0 329.437 3.502 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1sccc1C1CC1 ZINC000814017026 1136386457 /nfs/dbraw/zinc/38/64/57/1136386457.db2.gz RSJAWTZRMUKWLR-HNNXBMFYSA-N -1 0 349.477 3.836 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)/C=C\C1CCCCC1 ZINC000814018902 1136386758 /nfs/dbraw/zinc/38/67/58/1136386758.db2.gz RYPLOWAZLTXBEV-LKBMAGLMSA-N -1 0 335.469 3.720 20 0 EHADRM CC(C)[C@H](CNC(=O)c1ccc(/C=C\C(=O)[O-])o1)c1ccccc1 ZINC000851593746 1136395125 /nfs/dbraw/zinc/39/51/25/1136395125.db2.gz CJENDUVSXNDRGZ-SLWQEBJJSA-N -1 0 327.380 3.547 20 0 EHADRM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccc(/C=C/C(=O)[O-])o2)C1 ZINC000851604099 1136395654 /nfs/dbraw/zinc/39/56/54/1136395654.db2.gz LGOACKPLXBSIBR-RVGAOQPNSA-N -1 0 343.354 3.740 20 0 EHADRM CCN(C(=O)c1ccc(/C=C/C(=O)[O-])o1)[C@@H](C)Cc1ccsc1 ZINC000851605986 1136395978 /nfs/dbraw/zinc/39/59/78/1136395978.db2.gz PILVMDHIIWBSCT-PZBABLGHSA-N -1 0 333.409 3.532 20 0 EHADRM CCN(C(=O)c1ccc(/C=C\C(=O)[O-])o1)[C@H](C)Cc1ccsc1 ZINC000851605989 1136396366 /nfs/dbraw/zinc/39/63/66/1136396366.db2.gz PILVMDHIIWBSCT-SMYYYNMVSA-N -1 0 333.409 3.532 20 0 EHADRM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC000851705010 1136400624 /nfs/dbraw/zinc/40/06/24/1136400624.db2.gz HSAAELYQTCVHGL-GDBMZVCRSA-N -1 0 346.471 3.682 20 0 EHADRM CCCCC[C@H](C(=O)[N-]S(=O)(=O)c1cc(C)oc1C)C(C)C ZINC000776558214 1136424283 /nfs/dbraw/zinc/42/42/83/1136424283.db2.gz SLPNZKBVTHOSAI-AWEZNQCLSA-N -1 0 329.462 3.554 20 0 EHADRM CCC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cc(C)oc1C ZINC000776560067 1136428354 /nfs/dbraw/zinc/42/83/54/1136428354.db2.gz GJBBNBHUNHDSOP-OAHLLOKOSA-N -1 0 341.473 3.698 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1c1ccc2ccc(Br)cc2n1 ZINC000852912544 1136492904 /nfs/dbraw/zinc/49/29/04/1136492904.db2.gz SXCUJCBOUXQKOR-CMPLNLGQSA-N -1 0 349.228 3.687 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000776630986 1136493849 /nfs/dbraw/zinc/49/38/49/1136493849.db2.gz DOKHPJUNLYIUEV-ZVBPTUHVSA-N -1 0 339.391 3.889 20 0 EHADRM CCCCSCCC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000776657109 1136526848 /nfs/dbraw/zinc/52/68/48/1136526848.db2.gz AGTAYVLXRIUDOY-AWEZNQCLSA-N -1 0 345.411 3.520 20 0 EHADRM COc1cc2ccc(NC3CCC(C(=O)[O-])CC3)cc2cc1OC ZINC000854244455 1136601211 /nfs/dbraw/zinc/60/12/11/1136601211.db2.gz GUESMRRRTREJKB-UHFFFAOYSA-N -1 0 329.396 3.912 20 0 EHADRM CCCn1ncc(NC(=O)c2ccc3oc(=S)[n-]c3c2)c1C1CC1 ZINC000854747460 1136640829 /nfs/dbraw/zinc/64/08/29/1136640829.db2.gz PJXJALOVNOFZHY-UHFFFAOYSA-N -1 0 342.424 3.853 20 0 EHADRM CC(C)(F)c1cc([N-]C(=O)c2cc(-c3ccc(F)cc3)no2)no1 ZINC001135373611 1136671417 /nfs/dbraw/zinc/67/14/17/1136671417.db2.gz PBNYJEFEAYJGOS-UHFFFAOYSA-N -1 0 333.294 3.926 20 0 EHADRM Cc1ccc(C(=O)[N-]S(=O)(=O)[C@@H](c2ccccc2)C(C)C)c(F)c1 ZINC000816107122 1136677132 /nfs/dbraw/zinc/67/71/32/1136677132.db2.gz CRYUFCDKAQAGLU-QGZVFWFLSA-N -1 0 349.427 3.591 20 0 EHADRM CCC(C)(C)CC(=O)[N-]S(=O)(=O)[C@H](c1ccccc1)C(C)C ZINC000816107095 1136677149 /nfs/dbraw/zinc/67/71/49/1136677149.db2.gz CGTAWFCWYCKRDO-INIZCTEOSA-N -1 0 325.474 3.656 20 0 EHADRM Cc1ccc(C(=O)[N-]S(=O)(=O)[C@@H](c2ccccc2)C(C)C)s1 ZINC000816112840 1136677752 /nfs/dbraw/zinc/67/77/52/1136677752.db2.gz DJSYDUNSVCRWTC-OAHLLOKOSA-N -1 0 337.466 3.513 20 0 EHADRM O=C(c1n[n-]c2ccccc2c1=O)N1CC2(CCCC2)[C@H]1c1ccco1 ZINC000855489027 1136700725 /nfs/dbraw/zinc/70/07/25/1136700725.db2.gz LFIUZAKVTQBSJG-GOSISDBHSA-N -1 0 349.390 3.686 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000855951666 1136743706 /nfs/dbraw/zinc/74/37/06/1136743706.db2.gz QBEADCVZEAZXMN-DZGCQCFKSA-N -1 0 346.452 3.538 20 0 EHADRM Cn1cccc1[C@@H]1CCCCN1C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000816942190 1136768379 /nfs/dbraw/zinc/76/83/79/1136768379.db2.gz GYQQCZSAMWWPRZ-HNNXBMFYSA-N -1 0 341.436 3.822 20 0 EHADRM O=C(N[C@@H]1CCCc2sccc21)c1ccc2oc(=S)[n-]c2c1 ZINC000816972050 1136768675 /nfs/dbraw/zinc/76/86/75/1136768675.db2.gz ZXXWDDPVOIDQAH-LLVKDONJSA-N -1 0 330.434 3.985 20 0 EHADRM O=C(N=c1[n-]nc(-c2cccc(Cl)c2)s1)N1CC[C@H]2CCC[C@@H]21 ZINC000429532136 1136787918 /nfs/dbraw/zinc/78/79/18/1136787918.db2.gz TXFSXAKEQUIUCR-MFKMUULPSA-N -1 0 348.859 3.687 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1ccc(CF)cc1 ZINC000856973226 1136829168 /nfs/dbraw/zinc/82/91/68/1136829168.db2.gz BZMLMCADWNRWKW-SJORKVTESA-N -1 0 333.403 3.652 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2sccc2-c2ccc(F)cc2)C1 ZINC000817873755 1136842773 /nfs/dbraw/zinc/84/27/73/1136842773.db2.gz JKBDFNJAPGDJQE-AAEUAGOBSA-N -1 0 347.411 3.737 20 0 EHADRM CSc1ccccc1NC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000818806592 1136889829 /nfs/dbraw/zinc/88/98/29/1136889829.db2.gz DXEDCXGOQZYDSL-UHFFFAOYSA-N -1 0 340.404 3.700 20 0 EHADRM C[C@@H](N(C)C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])C1(C)CC1 ZINC000820700451 1137002145 /nfs/dbraw/zinc/00/21/45/1137002145.db2.gz HRSQXJGYVGOAKN-GFCCVEGCSA-N -1 0 327.380 3.725 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(Br)cc2[O-])c2n[nH]cc21 ZINC001136447857 1137027970 /nfs/dbraw/zinc/02/79/70/1137027970.db2.gz LHPHOMZGAGXVKH-UHFFFAOYSA-N -1 0 346.184 3.592 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1ccc2nc(C)c(C)nc2c1 ZINC000821759835 1137037593 /nfs/dbraw/zinc/03/75/93/1137037593.db2.gz MEKYDURSZOHFEK-UHFFFAOYSA-N -1 0 335.363 3.506 20 0 EHADRM CC[C@@H]1[C@@H](C)CCN1C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000822072239 1137048741 /nfs/dbraw/zinc/04/87/41/1137048741.db2.gz GKPWXDXQUOTHPR-BLLLJJGKSA-N -1 0 327.380 3.725 20 0 EHADRM COc1ccccc1C1(CNC(=O)c2ccc(C(C)C)cc2O)CC1 ZINC001136544779 1137050548 /nfs/dbraw/zinc/05/05/48/1137050548.db2.gz FMHWYAJZTQTPBL-UHFFFAOYSA-N -1 0 339.435 3.986 20 0 EHADRM O=C(NCCc1coc(-c2ccccc2)n1)c1ccc(Cl)c([O-])c1 ZINC001136570213 1137056267 /nfs/dbraw/zinc/05/62/67/1137056267.db2.gz ABXNWAGLFWIHAB-UHFFFAOYSA-N -1 0 342.782 3.673 20 0 EHADRM CCCCCC[C@H](C)NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000013250648 1137060386 /nfs/dbraw/zinc/06/03/86/1137060386.db2.gz LWNVGVWBKCJTNM-NSHDSACASA-N -1 0 347.864 3.675 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl ZINC000823333695 1137095487 /nfs/dbraw/zinc/09/54/87/1137095487.db2.gz KWKHGYFHLLPGIJ-JQUXWSAYSA-N -1 0 349.736 3.597 20 0 EHADRM Cc1n[nH]c(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCCC2)c1[O-] ZINC001136712547 1137097322 /nfs/dbraw/zinc/09/73/22/1137097322.db2.gz FXNDFISQCPJIKF-CQSZACIVSA-N -1 0 333.819 3.738 20 0 EHADRM C[C@H]1CC(C)(C)CN1C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000823600399 1137106089 /nfs/dbraw/zinc/10/60/89/1137106089.db2.gz SPBLQQIXVHFCHX-LBPRGKRZSA-N -1 0 327.380 3.725 20 0 EHADRM CCCCC[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1)C(C)(C)C ZINC000861452422 1137107603 /nfs/dbraw/zinc/10/76/03/1137107603.db2.gz UYSXNRCTVAHYPZ-KFWWJZLASA-N -1 0 326.481 3.734 20 0 EHADRM C[C@@H]1CN(C(=O)NCCCCCCc2ccccc2)CC[C@H]1C(=O)[O-] ZINC000861468641 1137107903 /nfs/dbraw/zinc/10/79/03/1137107903.db2.gz YIHNGKKNOODFMG-SJLPKXTDSA-N -1 0 346.471 3.542 20 0 EHADRM CCCCN(C(=O)c1cccc(F)c1[O-])[C@@H]1CCc2ncsc2C1 ZINC000823706230 1137110221 /nfs/dbraw/zinc/11/02/21/1137110221.db2.gz WBJOCACEZNAGEH-GFCCVEGCSA-N -1 0 348.443 3.788 20 0 EHADRM CCn1ncc(-c2nc(-c3ccc4[n-]c(=S)sc4c3)no2)c1C ZINC001212779367 1137127979 /nfs/dbraw/zinc/12/79/79/1137127979.db2.gz JFHNKTBDWSFKRZ-UHFFFAOYSA-N -1 0 343.437 3.827 20 0 EHADRM O=C(Nc1cnn(-c2ccccc2)c1)c1ccc2[n-]c(=S)oc2c1 ZINC000118881716 1137139797 /nfs/dbraw/zinc/13/97/97/1137139797.db2.gz TUAXQBQAKIOOAH-UHFFFAOYSA-N -1 0 336.376 3.555 20 0 EHADRM Cc1cccc([C@H](C)CNC(=O)c2cccc(Br)c2[O-])c1 ZINC001136911713 1137145633 /nfs/dbraw/zinc/14/56/33/1137145633.db2.gz DGNLXQZDPNSOFS-GFCCVEGCSA-N -1 0 348.240 3.997 20 0 EHADRM Cc1csc(CNc2cc(C)cc(C[N-]C(=O)C(F)(F)F)c2)n1 ZINC000825011372 1137160221 /nfs/dbraw/zinc/16/02/21/1137160221.db2.gz ICCKYSOPAUJPNZ-UHFFFAOYSA-N -1 0 343.374 3.551 20 0 EHADRM CC[C@H](NC(=O)CC1CCC(C(=O)[O-])CC1)c1ccccc1OC ZINC000844152781 1137199837 /nfs/dbraw/zinc/19/98/37/1137199837.db2.gz YIMGMKDOLWFJAN-XUJLQICISA-N -1 0 333.428 3.544 20 0 EHADRM CCCCC[C@H](C)CC(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC000844156430 1137200001 /nfs/dbraw/zinc/20/00/01/1137200001.db2.gz HPGHTGUKMIKMQP-ZDUSSCGKSA-N -1 0 332.444 3.880 20 0 EHADRM C[C@@H]1CN(c2ccc3ccc(Br)cc3n2)CC[C@H]1C(=O)[O-] ZINC000863734815 1137201352 /nfs/dbraw/zinc/20/13/52/1137201352.db2.gz UQWLTSSVIXDEBD-ZWNOBZJWSA-N -1 0 349.228 3.544 20 0 EHADRM CC[C@H](CNC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)C(=O)[O-] ZINC000844159412 1137202752 /nfs/dbraw/zinc/20/27/52/1137202752.db2.gz HDDGWVBNYAXSOP-JBBGTMGVSA-N -1 0 349.736 3.513 20 0 EHADRM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000864100286 1137214957 /nfs/dbraw/zinc/21/49/57/1137214957.db2.gz UKHMQPIDVSHYPR-CFYYFVFUSA-N -1 0 339.391 3.818 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1C ZINC000864105648 1137215267 /nfs/dbraw/zinc/21/52/67/1137215267.db2.gz KHVCZKHVRGJLBO-SYJIQKIWSA-N -1 0 339.391 3.972 20 0 EHADRM O=C([O-])C1CCC(NC(=O)CCc2cccc3ccccc32)CC1 ZINC000864121321 1137215938 /nfs/dbraw/zinc/21/59/38/1137215938.db2.gz TWLJTXFMGAUNEG-UHFFFAOYSA-N -1 0 325.408 3.532 20 0 EHADRM O=C([O-])CCCCCCNC(=O)/C=C\c1csc(C(F)(F)F)c1 ZINC000864120858 1137216055 /nfs/dbraw/zinc/21/60/55/1137216055.db2.gz DPCXFRBMFMKPBW-SREVYHEPSA-N -1 0 349.374 3.931 20 0 EHADRM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000864123375 1137216229 /nfs/dbraw/zinc/21/62/29/1137216229.db2.gz NDFDYQUZMKQONK-MEYUZBJRSA-N -1 0 333.453 3.625 20 0 EHADRM Cc1ccc(C(=O)NCCCCCCC(=O)[O-])cc1C(F)(F)F ZINC000864122650 1137216256 /nfs/dbraw/zinc/21/62/56/1137216256.db2.gz XHKKVWAKZAVDGC-UHFFFAOYSA-N -1 0 331.334 3.779 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N(Cc2ccco2)C2CCCC2)o1 ZINC000864124512 1137216323 /nfs/dbraw/zinc/21/63/23/1137216323.db2.gz AZGKHFQALBCUHW-CSKARUKUSA-N -1 0 329.352 3.555 20 0 EHADRM Cc1cc2c(CC(=O)N(C[C@H](C)C(=O)[O-])C3CC3)csc2s1 ZINC000864131630 1137216495 /nfs/dbraw/zinc/21/64/95/1137216495.db2.gz YTKBWNNEWCRWBG-VIFPVBQESA-N -1 0 337.466 3.525 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)Cc1coc2c1ccc(Cl)c2Cl ZINC000864130568 1137216533 /nfs/dbraw/zinc/21/65/33/1137216533.db2.gz KKJQZZGLZQXTGU-MRVPVSSYSA-N -1 0 344.194 3.652 20 0 EHADRM CCOc1ccccc1[C@@H](CC)NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000864142110 1137216925 /nfs/dbraw/zinc/21/69/25/1137216925.db2.gz CLLVSRQYEVENMH-HBIYDYFMSA-N -1 0 343.379 3.657 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1cc2c(cccc2C2CC2)[nH]1 ZINC000864148943 1137217095 /nfs/dbraw/zinc/21/70/95/1137217095.db2.gz GKFHSNSEXZCROV-KRWDZBQOSA-N -1 0 328.412 3.617 20 0 EHADRM Cc1ccc(C(=O)N2CCC[C@H](Cc3ccccc3)C2)cc1C(=O)[O-] ZINC000864143154 1137217124 /nfs/dbraw/zinc/21/71/24/1137217124.db2.gz CULPTLNXFGJYHW-QGZVFWFLSA-N -1 0 337.419 3.788 20 0 EHADRM CC1(C)[C@H](c2ccccc2)CCN1C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000864150330 1137217128 /nfs/dbraw/zinc/21/71/28/1137217128.db2.gz UKEBYWWZKRUTII-SOGBHIHOSA-N -1 0 339.391 3.786 20 0 EHADRM Cc1ccc([C@H]2CCN(C(=O)/C=C/c3ccc(C(=O)[O-])o3)C2)c(C)c1 ZINC000864158535 1137217546 /nfs/dbraw/zinc/21/75/46/1137217546.db2.gz MXUGFVJRUVBBJR-PXTSUWAFSA-N -1 0 339.391 3.624 20 0 EHADRM CCCCN(C(=O)/C=C/c1cc(C(=O)[O-])co1)[C@@H]1CCCC[C@H]1OC ZINC000864179431 1137218219 /nfs/dbraw/zinc/21/82/19/1137218219.db2.gz VGHUWYLAJMAFTN-VEUZHWNKSA-N -1 0 349.427 3.577 20 0 EHADRM CC(C)(CNC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccc2ccccc2c1 ZINC000864179463 1137218222 /nfs/dbraw/zinc/21/82/22/1137218222.db2.gz XGAFPDJVBGVIAT-SJORKVTESA-N -1 0 339.435 3.735 20 0 EHADRM CC(C)(C)c1ccc(CCC(=O)N2C3CCC2(C(=O)[O-])CC3)cc1 ZINC000864189174 1137218431 /nfs/dbraw/zinc/21/84/31/1137218431.db2.gz MPVZFDPACZSYAZ-UHFFFAOYSA-N -1 0 329.440 3.525 20 0 EHADRM C[C@H](CC(=O)NCc1cc(C(=O)[O-])co1)Cc1ccc(Cl)cc1 ZINC000864191832 1137218652 /nfs/dbraw/zinc/21/86/52/1137218652.db2.gz PFGHHYJDVQMJDG-NSHDSACASA-N -1 0 335.787 3.516 20 0 EHADRM CCC(CC)(CNC(=O)c1ccc(C)c(C(=O)[O-])c1)C(F)(F)F ZINC000864202197 1137218916 /nfs/dbraw/zinc/21/89/16/1137218916.db2.gz PGEDFXSATXLIMU-UHFFFAOYSA-N -1 0 331.334 3.792 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(C(=O)NC2CC(C(=O)[O-])C2)cc1F ZINC000864205851 1137218973 /nfs/dbraw/zinc/21/89/73/1137218973.db2.gz VHQAWMPKPFQVPA-UHFFFAOYSA-N -1 0 345.345 3.533 20 0 EHADRM O=C([O-])c1cc(NC(=O)C[C@H]2CSCCS2)cc2ccccc21 ZINC000864224830 1137219105 /nfs/dbraw/zinc/21/91/05/1137219105.db2.gz IWGZWDJRHNUZRN-ZDUSSCGKSA-N -1 0 347.461 3.715 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CC[C@H](c2ccccc2F)C1(C)C ZINC000864218610 1137219226 /nfs/dbraw/zinc/21/92/26/1137219226.db2.gz YEINULQCFHNLTB-CQSZACIVSA-N -1 0 335.419 3.811 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)C2CC3(C2)CCCCC3)c2ccccc21 ZINC000864227063 1137219301 /nfs/dbraw/zinc/21/93/01/1137219301.db2.gz URIXUZBQNQPFSN-AWEZNQCLSA-N -1 0 327.424 3.952 20 0 EHADRM CCCc1ccc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)s1 ZINC000864229288 1137219367 /nfs/dbraw/zinc/21/93/67/1137219367.db2.gz WGSNXCSMTBAKAJ-LBPRGKRZSA-N -1 0 329.421 3.919 20 0 EHADRM Cc1ccc(SCC(=O)N[C@H](CC(=O)[O-])c2cccc(C)c2)cc1 ZINC000864228814 1137219375 /nfs/dbraw/zinc/21/93/75/1137219375.db2.gz PWZUVUFRALGIPW-QGZVFWFLSA-N -1 0 343.448 3.728 20 0 EHADRM Cc1nc(CNCc2ccsc2C(F)(F)F)sc1C(=O)[O-] ZINC000864505011 1137230452 /nfs/dbraw/zinc/23/04/52/1137230452.db2.gz WQRGALZOJIJDJC-UHFFFAOYSA-N -1 0 336.360 3.520 20 0 EHADRM Cn1cc(CNc2cccc(COC3CCCCC3)c2)c(C(=O)[O-])n1 ZINC000864783216 1137245832 /nfs/dbraw/zinc/24/58/32/1137245832.db2.gz HRXGLRYORGFDCL-UHFFFAOYSA-N -1 0 343.427 3.580 20 0 EHADRM C[C@@H](C1CC1)N(C(=O)c1cc(Br)cc(F)c1[O-])C1CC1 ZINC000864844161 1137248583 /nfs/dbraw/zinc/24/85/83/1137248583.db2.gz LHRJEZOQQVRXMT-QMMMGPOBSA-N -1 0 342.208 3.697 20 0 EHADRM Cc1cc(C)c(NC(=O)C[C@H](C)c2ccccc2)c(S(=O)(=O)[O-])c1 ZINC001144425979 1137290335 /nfs/dbraw/zinc/29/03/35/1137290335.db2.gz HKNWAPFKWIWXRZ-ZDUSSCGKSA-N -1 0 347.436 3.682 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000120639082 1137295504 /nfs/dbraw/zinc/29/55/04/1137295504.db2.gz SYMIQGNFZODFJI-RSPDNQDQSA-N -1 0 327.355 3.741 20 0 EHADRM CC[C@H](C)CONC(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000794854264 1137298916 /nfs/dbraw/zinc/29/89/16/1137298916.db2.gz QOHDSQMGCUSJKT-JTQLQIEISA-N -1 0 339.233 3.567 20 0 EHADRM CCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)oc1ccccc12 ZINC000845825559 1137312806 /nfs/dbraw/zinc/31/28/06/1137312806.db2.gz LHQMQEVUVYQJNI-LBPRGKRZSA-N -1 0 345.420 3.827 20 0 EHADRM O=C([O-])c1ccsc1CN1Cc2cccc(Br)c2C1 ZINC001144678121 1137328075 /nfs/dbraw/zinc/32/80/75/1137328075.db2.gz PBWDGHFNNAKLQM-UHFFFAOYSA-N -1 0 338.226 3.725 20 0 EHADRM Cc1cc(CN(Cc2sccc2C(=O)[O-])Cc2ccccc2)on1 ZINC001144680116 1137328286 /nfs/dbraw/zinc/32/82/86/1137328286.db2.gz JIDVOAOMRPFFMC-UHFFFAOYSA-N -1 0 342.420 3.945 20 0 EHADRM O=C([O-])c1ccsc1CN1CCOC[C@@H]1c1ccccc1Cl ZINC001144684980 1137329508 /nfs/dbraw/zinc/32/95/08/1137329508.db2.gz SFOOEZDKPNBJOS-CQSZACIVSA-N -1 0 337.828 3.673 20 0 EHADRM C[C@@]1(CCNC(=O)c2ccc3[n-]c(=S)oc3c2)C[C@@]1(F)Cl ZINC000846406725 1137350686 /nfs/dbraw/zinc/35/06/86/1137350686.db2.gz OMENEPRGIRNVNY-KGLIPLIRSA-N -1 0 328.796 3.551 20 0 EHADRM Cc1nc(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)sc1-c1ccccc1 ZINC000846708952 1137363319 /nfs/dbraw/zinc/36/33/19/1137363319.db2.gz NYVKWZVBRJGJJT-SFHVURJKSA-N -1 0 342.420 3.868 20 0 EHADRM Cc1ccc(-c2nc(CC(=O)[N-]Oc3ccc(F)cc3)cs2)o1 ZINC001146543046 1137391697 /nfs/dbraw/zinc/39/16/97/1137391697.db2.gz NMVVCMAWDAKDFK-UHFFFAOYSA-N -1 0 332.356 3.503 20 0 EHADRM Cc1nnc(-c2cccc(NC(=O)c3ncc4ccccc4c3[O-])c2)o1 ZINC001147093891 1137400214 /nfs/dbraw/zinc/40/02/14/1137400214.db2.gz GXRVUPYWEUIQEC-UHFFFAOYSA-N -1 0 346.346 3.551 20 0 EHADRM Cc1nc(C2CC2)nc([S-])c1C(=O)Nc1nc2ccsc2s1 ZINC001147397557 1137406192 /nfs/dbraw/zinc/40/61/92/1137406192.db2.gz JSALSBWSISIPBX-UHFFFAOYSA-N -1 0 348.478 3.875 20 0 EHADRM CC[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1)c1ccccc1 ZINC000103634684 1137423987 /nfs/dbraw/zinc/42/39/87/1137423987.db2.gz NTXITRZOMARIKG-MRXNPFEDSA-N -1 0 345.464 3.692 20 0 EHADRM O=C(c1cc(Cl)cc(Cl)c1[O-])N(C1CCC1)C1CCOCC1 ZINC001148815763 1137435862 /nfs/dbraw/zinc/43/58/62/1137435862.db2.gz YOJXXSIJFNRMBU-UHFFFAOYSA-N -1 0 344.238 3.873 20 0 EHADRM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CC/C=C/c1ccccc1 ZINC000122762936 1137466301 /nfs/dbraw/zinc/46/63/01/1137466301.db2.gz PYKMPWUYPRWETK-RCLKMUNOSA-N -1 0 343.448 3.687 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C)cn3)cc2)o1 ZINC000773235377 1137480847 /nfs/dbraw/zinc/48/08/47/1137480847.db2.gz ZHMHTQGUECKMMO-UHFFFAOYSA-N -1 0 344.392 3.885 20 0 EHADRM O=C([N-]OCCCC(F)(F)F)C1(c2c(F)cccc2F)CCC1 ZINC000871217474 1137528052 /nfs/dbraw/zinc/52/80/52/1137528052.db2.gz ZGCCLKRRMPSYCR-UHFFFAOYSA-N -1 0 337.288 3.777 20 0 EHADRM CC(C)Oc1c(F)cc(F)c(-n2[n-]c(=O)c3cc(N)ccc32)c1F ZINC001212645467 1137541656 /nfs/dbraw/zinc/54/16/56/1137541656.db2.gz YMWZEWJHHVWUIO-UHFFFAOYSA-N -1 0 337.301 3.518 20 0 EHADRM CCc1csc([N-]S(=O)(=O)c2ccc(F)c(C(F)F)c2)n1 ZINC000872002600 1137564196 /nfs/dbraw/zinc/56/41/96/1137564196.db2.gz VJRURLORZVFCMO-UHFFFAOYSA-N -1 0 336.360 3.583 20 0 EHADRM CC(C)n1cc([N-]S(=O)(=O)c2ccc3c4c(cccc42)CC3)cn1 ZINC000872348475 1137578770 /nfs/dbraw/zinc/57/87/70/1137578770.db2.gz YIJFGENTVPEYMR-UHFFFAOYSA-N -1 0 341.436 3.517 20 0 EHADRM Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000872728710 1137583289 /nfs/dbraw/zinc/58/32/89/1137583289.db2.gz WMUQLYYEPYVIHX-AWEZNQCLSA-N -1 0 344.436 3.506 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)NCc2nc(C(=O)[O-])cs2)cc1 ZINC000124268979 1137584801 /nfs/dbraw/zinc/58/48/01/1137584801.db2.gz KEGSWZSRQKVDJP-GFCCVEGCSA-N -1 0 346.452 3.775 20 0 EHADRM Cc1ccc(-c2ccncc2)cc1NC(=O)C(C)(C)SCC(=O)[O-] ZINC000872842268 1137585409 /nfs/dbraw/zinc/58/54/09/1137585409.db2.gz QYTLYTFJMKSYIV-UHFFFAOYSA-N -1 0 344.436 3.592 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)C(C)(C)SCC(=O)[O-] ZINC000872847550 1137585508 /nfs/dbraw/zinc/58/55/08/1137585508.db2.gz YIHNZKWMCYYQHR-UHFFFAOYSA-N -1 0 345.848 3.662 20 0 EHADRM CCN(C(=O)C1=C(C(=O)[O-])CCCC1)[C@H](C)c1cccc(OC)c1 ZINC000872904526 1137586368 /nfs/dbraw/zinc/58/63/68/1137586368.db2.gz GPNJJLMEPJDEIW-CYBMUJFWSA-N -1 0 331.412 3.560 20 0 EHADRM CCc1ccc(Br)c(NC(=O)C(C)(C)CCC(=O)[O-])c1 ZINC000873003723 1137587814 /nfs/dbraw/zinc/58/78/14/1137587814.db2.gz DNGSTLWZNITBKK-UHFFFAOYSA-N -1 0 342.233 3.841 20 0 EHADRM CC(=O)c1ccc(C(=O)N[C@@H](c2ccc(F)cc2F)C2CC2)cc1O ZINC001137068863 1137594175 /nfs/dbraw/zinc/59/41/75/1137594175.db2.gz NWGGYKGHTSKCDV-GOSISDBHSA-N -1 0 345.345 3.754 20 0 EHADRM CCCN(CC1CC1)C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000873761394 1137606636 /nfs/dbraw/zinc/60/66/36/1137606636.db2.gz BEQVBWICNJFYQM-UHFFFAOYSA-N -1 0 327.380 3.727 20 0 EHADRM C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000874351773 1137613360 /nfs/dbraw/zinc/61/33/60/1137613360.db2.gz MMLDKFOBCGBGIY-CHWSQXEVSA-N -1 0 327.380 3.868 20 0 EHADRM CN(C(=O)NCc1ccccc1C(=O)[O-])[C@@H]1CCCc2ccccc21 ZINC000874409713 1137613749 /nfs/dbraw/zinc/61/37/49/1137613749.db2.gz WWZQLOQSGHINFX-GOSISDBHSA-N -1 0 338.407 3.604 20 0 EHADRM O=Cc1ccc(-c2cccc(C(=O)Nc3cccc(C(=O)[O-])c3)c2)o1 ZINC000874971659 1137627317 /nfs/dbraw/zinc/62/73/17/1137627317.db2.gz RACYDTOVYVNLEM-UHFFFAOYSA-N -1 0 335.315 3.710 20 0 EHADRM Cc1cc(COc2ccc(C(=O)[O-])cc2-c2cccc(C=O)c2)on1 ZINC000874973456 1137627378 /nfs/dbraw/zinc/62/73/78/1137627378.db2.gz VSUKERCGDGCAAU-UHFFFAOYSA-N -1 0 337.331 3.740 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)c2n[n-]c3ccccc3c2=O)c1C ZINC000125532600 1137636957 /nfs/dbraw/zinc/63/69/57/1137636957.db2.gz MJAZCVAKECIIIX-SFHVURJKSA-N -1 0 347.418 3.517 20 0 EHADRM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000879359291 1137745331 /nfs/dbraw/zinc/74/53/31/1137745331.db2.gz RFEJBBZCUOTHEA-FUXBKTLASA-N -1 0 340.210 3.727 20 0 EHADRM CCCON=C([O-])Nc1nnc(-c2cccc(C(F)(F)F)c2)s1 ZINC000880223176 1137771402 /nfs/dbraw/zinc/77/14/02/1137771402.db2.gz VZJURBINLYWGMN-UHFFFAOYSA-N -1 0 346.334 3.687 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC000888826690 1137782308 /nfs/dbraw/zinc/78/23/08/1137782308.db2.gz NGMQIJWMWWDZHT-SGTLLEGYSA-N -1 0 346.789 3.731 20 0 EHADRM CC(C)c1cnc([N-]S(=O)(=O)c2ccc(OC3CC3)cc2)s1 ZINC000829687548 1137799010 /nfs/dbraw/zinc/79/90/10/1137799010.db2.gz LFHUJSGNOSOZJU-UHFFFAOYSA-N -1 0 338.454 3.609 20 0 EHADRM CCCCC[C@H](C)NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000025347247 1137829495 /nfs/dbraw/zinc/82/94/95/1137829495.db2.gz WYPJKNWMEWUBOD-ZDUSSCGKSA-N -1 0 347.484 3.534 20 0 EHADRM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ncsc1C1CC1 ZINC000882771287 1137833934 /nfs/dbraw/zinc/83/39/34/1137833934.db2.gz WEXZJRXIAIEGKQ-UHFFFAOYSA-N -1 0 328.846 3.783 20 0 EHADRM CCS(=O)(=O)c1ccc(O)c(Nc2cccc3nc(C)ccc32)c1 ZINC001212796825 1137872565 /nfs/dbraw/zinc/87/25/65/1137872565.db2.gz GCFNPNMMHOFEOQ-UHFFFAOYSA-N -1 0 342.420 3.786 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N(Cc2ccccc2)C(C)C)cc1 ZINC000107946609 1137888230 /nfs/dbraw/zinc/88/82/30/1137888230.db2.gz CIARNZSERFGEEG-HSZRJFAPSA-N -1 0 329.465 3.540 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)N[C@H](C)c2cccs2)cc1 ZINC000108067811 1137888591 /nfs/dbraw/zinc/88/85/91/1137888591.db2.gz VJYZHTPSZGMDJX-MCMMXHMISA-N -1 0 335.494 3.857 20 0 EHADRM COc1ccc([C@H](NC(=O)c2s[n-]c(=O)c2Cl)C(C)C)cc1 ZINC000282871483 1137891719 /nfs/dbraw/zinc/89/17/19/1137891719.db2.gz DRDUKXRFSRWKJZ-GFCCVEGCSA-N -1 0 340.832 3.638 20 0 EHADRM CCc1nc([N-]S(=O)(=O)/C=C/c2ccccc2F)sc1C ZINC000800027508 1137894762 /nfs/dbraw/zinc/89/47/62/1137894762.db2.gz BQXKICIIXNSCPX-CMDGGOBGSA-N -1 0 326.418 3.566 20 0 EHADRM CCCc1nc(=NC(=O)N2CCCC[C@@H]2c2ccc(C)o2)s[n-]1 ZINC000331555597 1137912394 /nfs/dbraw/zinc/91/23/94/1137912394.db2.gz HGKWMZGSHRINLU-GFCCVEGCSA-N -1 0 334.445 3.573 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3C[C@H](C)C[C@@H]3C)n2)cc1 ZINC000332089714 1137931440 /nfs/dbraw/zinc/93/14/40/1137931440.db2.gz ALJZGMLSZMXTIP-KGLIPLIRSA-N -1 0 327.428 3.572 20 0 EHADRM CCCCc1nnc(NC(=O)c2ccc3[n-]c(=S)oc3c2)s1 ZINC000118765369 1137935010 /nfs/dbraw/zinc/93/50/10/1137935010.db2.gz LXCXDPLQZJKAEO-UHFFFAOYSA-N -1 0 334.426 3.563 20 0 EHADRM O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc([O-])c(Cl)c1 ZINC000119860868 1137944929 /nfs/dbraw/zinc/94/49/29/1137944929.db2.gz NGAUXESTRFIRNB-GUYCJALGSA-N -1 0 345.826 3.943 20 0 EHADRM CCN(C(=O)c1nn(-c2ccccc2)cc1[O-])[C@@H]1CCCC[C@@H]1C ZINC000332666852 1137950673 /nfs/dbraw/zinc/95/06/73/1137950673.db2.gz OLPBHLGUWPNMEC-GOEBONIOSA-N -1 0 327.428 3.619 20 0 EHADRM CC1(C)CN(C(=O)N=c2[n-]nc(-c3ccsc3)s2)[C@H]2CCC[C@@H]21 ZINC000333048942 1137953846 /nfs/dbraw/zinc/95/38/46/1137953846.db2.gz BSBRTONFZMTHOH-RYUDHWBXSA-N -1 0 348.497 3.731 20 0 EHADRM C[C@@H]1CCN(C(=O)N=c2ccc(C3CC3)n[n-]2)[C@H]1c1cccc(F)c1 ZINC000333176516 1137957253 /nfs/dbraw/zinc/95/72/53/1137957253.db2.gz LOLGYRFXFNRMHV-KZULUSFZSA-N -1 0 340.402 3.530 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)c1s[n-]c(=O)c1Cl ZINC000282941063 1138018368 /nfs/dbraw/zinc/01/83/68/1138018368.db2.gz KGBWOLHHJRWWBL-UHFFFAOYSA-N -1 0 337.253 3.879 20 0 EHADRM CCSCc1cccnc1[N-]S(=O)(=O)c1cc(C)cs1 ZINC000886441949 1138078492 /nfs/dbraw/zinc/07/84/92/1138078492.db2.gz LGTYMLVGSUFTSR-UHFFFAOYSA-N -1 0 328.484 3.505 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)nc1)c1cc(Cl)ccc1Cl ZINC000221853301 1138220977 /nfs/dbraw/zinc/22/09/77/1138220977.db2.gz LZYJNKMQIMBWPW-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM CC(C)(NC(=O)[C@H]1CCC[C@@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000887315330 1138262436 /nfs/dbraw/zinc/26/24/36/1138262436.db2.gz RAAKHMGFYFAOHA-STQMWFEESA-N -1 0 343.345 3.558 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc([C@H](F)C(F)(F)F)cc2)CCC1 ZINC000887315925 1138263078 /nfs/dbraw/zinc/26/30/78/1138263078.db2.gz FTLUXXNTGQQKJB-LBPRGKRZSA-N -1 0 333.281 3.843 20 0 EHADRM CC(C)(NC(=O)C[C@@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000887322239 1138265335 /nfs/dbraw/zinc/26/53/35/1138265335.db2.gz JWHMZLKHXXDRBA-CQSZACIVSA-N -1 0 347.361 3.575 20 0 EHADRM CC[C@](C)(NC(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1)C(=O)[O-] ZINC000887382282 1138294169 /nfs/dbraw/zinc/29/41/69/1138294169.db2.gz CDTWIXDQVVCQTP-GWCFXTLKSA-N -1 0 336.285 3.634 20 0 EHADRM Cc1ncsc1CN[C@]1(C(=O)[O-])CCC(C)(C)c2ccccc21 ZINC000336865530 1138417435 /nfs/dbraw/zinc/41/74/35/1138417435.db2.gz DPSIJAUUVBJMEH-GOSISDBHSA-N -1 0 330.453 3.593 20 0 EHADRM Cc1nc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C)cc3)cc2)c[nH]1 ZINC000336877606 1138419558 /nfs/dbraw/zinc/41/95/58/1138419558.db2.gz RBOVDODNCAEZQH-UHFFFAOYSA-N -1 0 343.408 3.620 20 0 EHADRM Cc1cc(C)cc(CS(=O)(=O)[N-]c2nnc(C3CCCCC3)o2)c1 ZINC000337143396 1138478309 /nfs/dbraw/zinc/47/83/09/1138478309.db2.gz VHAGDVAYLNSOQH-UHFFFAOYSA-N -1 0 349.456 3.676 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)cc1 ZINC000348442893 1138494623 /nfs/dbraw/zinc/49/46/23/1138494623.db2.gz LYDBQFQPFFBXJH-UHFFFAOYSA-N -1 0 335.356 3.690 20 0 EHADRM CCc1nc([C@@H](C)NC(=O)CC2(C(=O)[O-])CCCCCC2)cs1 ZINC000264798377 1138642515 /nfs/dbraw/zinc/64/25/15/1138642515.db2.gz ZJFTXUTYCBQUSG-GFCCVEGCSA-N -1 0 338.473 3.698 20 0 EHADRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000337739280 1138656268 /nfs/dbraw/zinc/65/62/68/1138656268.db2.gz CACMVUXOCNLIQV-UHFFFAOYSA-N -1 0 346.383 3.573 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2cccc(SC)c2)cc1C ZINC000337867972 1138685553 /nfs/dbraw/zinc/68/55/53/1138685553.db2.gz PDRZMDRXGPUCTQ-NSHDSACASA-N -1 0 339.486 3.685 20 0 EHADRM O=C(N[C@H]1CCCc2sccc21)c1cc(F)c(F)c([O-])c1F ZINC000137384278 1138851251 /nfs/dbraw/zinc/85/12/51/1138851251.db2.gz QIMAHFKCNSNDDG-JTQLQIEISA-N -1 0 327.327 3.678 20 0 EHADRM COc1cccc(O)c1C(=O)Nc1cccc(C(F)(F)F)c1C ZINC001137257631 1139266913 /nfs/dbraw/zinc/26/69/13/1139266913.db2.gz NRWOQQBYIHTMIA-UHFFFAOYSA-N -1 0 325.286 3.980 20 0 EHADRM CC(C)c1noc([C@@H](C)ONC(=O)Cc2cccc3ccccc32)n1 ZINC000174119343 1139400058 /nfs/dbraw/zinc/40/00/58/1139400058.db2.gz DYZXUZWVYSNCCP-CYBMUJFWSA-N -1 0 339.395 3.698 20 0 EHADRM O=C(N[C@@H](Cc1ccccc1)C1CC1)c1cc(F)c(F)c([O-])c1F ZINC000180040701 1139803937 /nfs/dbraw/zinc/80/39/37/1139803937.db2.gz XGTNHGQTVMPOLC-AWEZNQCLSA-N -1 0 335.325 3.561 20 0 EHADRM CCCCCC[C@](C)(NC(=O)c1ccc(-c2cnco2)cc1)C(=O)[O-] ZINC000777372697 1139916625 /nfs/dbraw/zinc/91/66/25/1139916625.db2.gz WSLCJVOZENWUOY-IBGZPJMESA-N -1 0 344.411 3.885 20 0 EHADRM Cc1nc2c(s1)[C@H](N(C)C(=O)c1cc(F)c([O-])c(F)c1)CCC2 ZINC000183604662 1140049064 /nfs/dbraw/zinc/04/90/64/1140049064.db2.gz FDLQZANYBBHAJP-CYBMUJFWSA-N -1 0 338.379 3.585 20 0 EHADRM CC(C)(CNC(=O)c1cc(F)c(F)c([O-])c1F)c1cccs1 ZINC000183622570 1140050322 /nfs/dbraw/zinc/05/03/22/1140050322.db2.gz AWVUKKBXKZONRF-UHFFFAOYSA-N -1 0 329.343 3.579 20 0 EHADRM C[C@@H](CNC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)CC(=O)[O-] ZINC000777399013 1140050629 /nfs/dbraw/zinc/05/06/29/1140050629.db2.gz GWHWLFKCESTMLD-OSOUNJMWSA-N -1 0 349.736 3.599 20 0 EHADRM Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)c3c([O-])cccc3F)nc2c1 ZINC000184306147 1140094243 /nfs/dbraw/zinc/09/42/43/1140094243.db2.gz WFIFICJVNOBWKH-HNNXBMFYSA-N -1 0 339.370 3.693 20 0 EHADRM O=C(N[C@@H](C[C@H]1CCOC1)c1ccccc1)c1cc(F)c([O-])c(F)c1 ZINC000186933315 1140229144 /nfs/dbraw/zinc/22/91/44/1140229144.db2.gz FDEHFPQBRUBQJW-PXAZEXFGSA-N -1 0 347.361 3.568 20 0 EHADRM CCCCC[C@@](C)(CC)C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000187513992 1140258488 /nfs/dbraw/zinc/25/84/88/1140258488.db2.gz NSZVVDPVISFEBT-GOSISDBHSA-N -1 0 349.500 3.940 20 0 EHADRM COc1ccc([C@@H]2CCN(C(=O)c3cc(F)c([O-])c(Cl)c3)C2)cc1 ZINC000189306091 1140334206 /nfs/dbraw/zinc/33/42/06/1140334206.db2.gz WPVZVOVUTZLADM-GFCCVEGCSA-N -1 0 349.789 3.823 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1cnc(C(C)C)s1 ZINC000191109260 1140436473 /nfs/dbraw/zinc/43/64/73/1140436473.db2.gz WFHUJNUGSVLWEI-ZDUSSCGKSA-N -1 0 332.425 3.521 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N[C@@H](C)CCC(=O)[O-] ZINC000191149672 1140440352 /nfs/dbraw/zinc/44/03/52/1140440352.db2.gz UOUNFEQJYHNXRV-NSHDSACASA-N -1 0 325.364 3.878 20 0 EHADRM CCC(CC)C(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000192888287 1140554317 /nfs/dbraw/zinc/55/43/17/1140554317.db2.gz BZODAETVXMSYEQ-ZDUSSCGKSA-N -1 0 342.233 3.517 20 0 EHADRM C[C@@H]1CCN(C(=O)C2CCC(C(=O)[O-])CC2)[C@H]1c1cccc(F)c1 ZINC000194433872 1140609633 /nfs/dbraw/zinc/60/96/33/1140609633.db2.gz NWGCAJMWRFDIKV-QROZZAMVSA-N -1 0 333.403 3.626 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@@H](c2ccccc2)C2CC2)c(C)c1 ZINC000194496879 1140611882 /nfs/dbraw/zinc/61/18/82/1140611882.db2.gz XCIHKUYGUKTUSG-GBXCKJPGSA-N -1 0 341.476 3.679 20 0 EHADRM COC(CCCC(C)(C)CNC(=O)c1ccc([O-])c(Cl)c1)OC ZINC000194514012 1140612916 /nfs/dbraw/zinc/61/29/16/1140612916.db2.gz NVKASGFKFVUHRS-UHFFFAOYSA-N -1 0 343.851 3.591 20 0 EHADRM O=S(=O)([N-]c1nnc(C2CCCCC2)o1)c1ccc(Cl)s1 ZINC000194782446 1140622307 /nfs/dbraw/zinc/62/23/07/1140622307.db2.gz BLKAXWCZVWMHOK-UHFFFAOYSA-N -1 0 347.849 3.633 20 0 EHADRM CC(C)c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)no1 ZINC000267109693 1140759274 /nfs/dbraw/zinc/75/92/74/1140759274.db2.gz YHWCJGJQPXDPGV-UHFFFAOYSA-N -1 0 334.319 3.618 20 0 EHADRM CCOCCCC(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000270640393 1141249742 /nfs/dbraw/zinc/24/97/42/1141249742.db2.gz JCIXVOWEOAPGQY-UHFFFAOYSA-N -1 0 336.613 3.563 20 0 EHADRM C[C@H](NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)c1cccc(F)c1F ZINC000270856038 1141277160 /nfs/dbraw/zinc/27/71/60/1141277160.db2.gz JBUXGCDNSBRQNJ-HXPMCKFVSA-N -1 0 347.361 3.575 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N(CCc1ccc(F)cc1)C1CC1 ZINC000273979353 1141456877 /nfs/dbraw/zinc/45/68/77/1141456877.db2.gz UCQHWLRNXABZLG-UHFFFAOYSA-N -1 0 335.325 3.657 20 0 EHADRM CCc1csc([N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)n1 ZINC000349140591 1141643904 /nfs/dbraw/zinc/64/39/04/1141643904.db2.gz IWWLVLXXMGGIKS-UHFFFAOYSA-N -1 0 340.401 3.700 20 0 EHADRM O=C([O-])[C@@H](NC(=O)/C=C/c1ccc(Cl)s1)C1CCCCC1 ZINC000038036504 213196275 /nfs/dbraw/zinc/19/62/75/213196275.db2.gz OWUHCKPAAGOTLT-KGXGESDWSA-N -1 0 327.833 3.564 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000038036083 213194231 /nfs/dbraw/zinc/19/42/31/213194231.db2.gz WWVFNVRTJNIFFP-CYBMUJFWSA-N -1 0 330.211 3.757 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(F)cc2C)c1 ZINC000023371629 212373175 /nfs/dbraw/zinc/37/31/75/212373175.db2.gz WXLJHVAXBQTTHE-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1cc(F)ccc1Br ZINC000021963411 212266574 /nfs/dbraw/zinc/26/65/74/212266574.db2.gz PIMLDNCILRUDEY-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccccc2F)cc1C(F)(F)F ZINC000010514303 211178679 /nfs/dbraw/zinc/17/86/79/211178679.db2.gz ACDFIBNEKBNLMW-UHFFFAOYSA-N -1 0 333.306 3.954 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000006919567 210743027 /nfs/dbraw/zinc/74/30/27/210743027.db2.gz UOHAHVXDRUJCSY-UHFFFAOYSA-N -1 0 331.437 3.765 20 0 EHADRM CC(C)Oc1ccc(NS(=O)(=O)c2cccc(Cl)c2[O-])cc1 ZINC000580940827 450603004 /nfs/dbraw/zinc/60/30/04/450603004.db2.gz SJFJPXRLGFTSME-UHFFFAOYSA-N -1 0 341.816 3.634 20 0 EHADRM CCCC[C@H](Sc1nncn1-c1cccc(Cl)c1)C(=O)[O-] ZINC000736984412 599710024 /nfs/dbraw/zinc/71/00/24/599710024.db2.gz HGOFLZJCRCNLIK-LBPRGKRZSA-N -1 0 325.821 3.656 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)NC(C)(C)CCC(=O)[O-])cc2)oc1C ZINC000669496849 596982152 /nfs/dbraw/zinc/98/21/52/596982152.db2.gz BGNIUOONAYQHTN-UHFFFAOYSA-N -1 0 345.399 3.723 20 0 EHADRM C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CSCC(=O)[O-] ZINC000603614588 597085869 /nfs/dbraw/zinc/08/58/69/597085869.db2.gz HQOAIBXFWLDSRI-HNNXBMFYSA-N -1 0 343.448 3.594 20 0 EHADRM Cc1cc(SC(C)(C)C)ccc1NC(=O)CSCC(=O)[O-] ZINC000740095280 597091362 /nfs/dbraw/zinc/09/13/62/597091362.db2.gz ZEXGKJFBHJOMHL-UHFFFAOYSA-N -1 0 327.471 3.642 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)C1 ZINC000676218500 597093668 /nfs/dbraw/zinc/09/36/68/597093668.db2.gz PXGZIDIULBQNSW-KYNGSXCRSA-N -1 0 337.419 3.657 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)CSc2ccc3ccccc3c2)C1 ZINC000532677015 597094241 /nfs/dbraw/zinc/09/42/41/597094241.db2.gz PNDZJXCRAHWOPD-AWEZNQCLSA-N -1 0 343.448 3.645 20 0 EHADRM CC(C)c1nc2cc(NC(=O)N3CCC[C@H](CC(=O)[O-])C3)ccc2o1 ZINC000568490260 597120372 /nfs/dbraw/zinc/12/03/72/597120372.db2.gz BTOJWKDBDMATSJ-GFCCVEGCSA-N -1 0 345.399 3.670 20 0 EHADRM CC(C)Sc1ccccc1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000236625810 597150970 /nfs/dbraw/zinc/15/09/70/597150970.db2.gz VSPPIRKJGBVQCV-UHFFFAOYSA-N -1 0 329.421 3.815 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)NCc2csc3ccccc23)c1 ZINC000738626419 597182917 /nfs/dbraw/zinc/18/29/17/597182917.db2.gz VTAXVTXJWZVGET-UHFFFAOYSA-N -1 0 340.404 3.850 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)c1 ZINC000738624878 597187542 /nfs/dbraw/zinc/18/75/42/597187542.db2.gz VEZNLHARBTZZNO-QGZVFWFLSA-N -1 0 342.370 3.822 20 0 EHADRM CN(Cc1ccccc1Cl)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000390932682 597192189 /nfs/dbraw/zinc/19/21/89/597192189.db2.gz MRHCSMBYQANJCQ-UHFFFAOYSA-N -1 0 332.787 3.631 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)NCCCCCC(=O)[O-] ZINC000315069877 597234640 /nfs/dbraw/zinc/23/46/40/597234640.db2.gz RQAIXRCBEQRFDU-LBPRGKRZSA-N -1 0 326.824 3.687 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C)C(=O)NCCCCCC(=O)[O-] ZINC000315237988 597235297 /nfs/dbraw/zinc/23/52/97/597235297.db2.gz SRWMUKCJNBCUAE-GFCCVEGCSA-N -1 0 326.824 3.687 20 0 EHADRM O=C([O-])c1ccc(C[S@@](=O)Cc2csc(-c3ccoc3)n2)cc1 ZINC000819691262 597286880 /nfs/dbraw/zinc/28/68/80/597286880.db2.gz HMEWQKIJEWLBMA-HSZRJFAPSA-N -1 0 347.417 3.550 20 0 EHADRM CC(C)N(Cc1cccs1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000261638354 597298872 /nfs/dbraw/zinc/29/88/72/597298872.db2.gz CUFOISFOMYJCBJ-UHFFFAOYSA-N -1 0 332.425 3.567 20 0 EHADRM CN(C(=O)Nc1ccccc1CC(=O)[O-])[C@@H]1CCCc2ccccc21 ZINC000818368498 597321207 /nfs/dbraw/zinc/32/12/07/597321207.db2.gz AKOJZDWXXGLWDX-GOSISDBHSA-N -1 0 338.407 3.855 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)NCC1(c2ccccc2)CCC1 ZINC000819618488 597322505 /nfs/dbraw/zinc/32/25/05/597322505.db2.gz ZBEPLJWASOAICT-UHFFFAOYSA-N -1 0 338.407 3.557 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000819608778 597325385 /nfs/dbraw/zinc/32/53/85/597325385.db2.gz BEBABTGXMPDOER-NEPJUHHUSA-N -1 0 344.333 3.556 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)Nc1ccccc1CC(=O)[O-])C(C)C ZINC000818963489 597326647 /nfs/dbraw/zinc/32/66/47/597326647.db2.gz FTIATTNFDDORFS-QGZVFWFLSA-N -1 0 341.411 3.536 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000819610413 597340438 /nfs/dbraw/zinc/34/04/38/597340438.db2.gz QVEYMFPGQPSYSH-MRXNPFEDSA-N -1 0 344.798 3.776 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccccc1CC(=O)[O-])c1ccc(OC)cc1 ZINC000818143750 597341403 /nfs/dbraw/zinc/34/14/03/597341403.db2.gz RVNBCNRKOYCPSK-MRXNPFEDSA-N -1 0 342.395 3.595 20 0 EHADRM CC(C)(CNC(=O)Nc1ccccc1CC(=O)[O-])c1ccc(F)cc1 ZINC000817842118 597342991 /nfs/dbraw/zinc/34/29/91/597342991.db2.gz RLGDOQRHFZSNMF-UHFFFAOYSA-N -1 0 344.386 3.552 20 0 EHADRM C[C@@H](CC(=O)Nc1ccccc1CC(=O)[O-])c1ccc(F)cc1F ZINC000431679580 597376747 /nfs/dbraw/zinc/37/67/47/597376747.db2.gz RCKDCBMAEZBLPF-NSHDSACASA-N -1 0 333.334 3.724 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1cc(-c2nc(C)co2)ccc1C)C(=O)[O-] ZINC000820443809 597405670 /nfs/dbraw/zinc/40/56/70/597405670.db2.gz YWEHYUXBCZLQPU-BONVTDFDSA-N -1 0 345.399 3.579 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c(C)c1)c1c(C)noc1C ZINC000820278002 597480834 /nfs/dbraw/zinc/48/08/34/597480834.db2.gz DCIRHDSYVGTUIO-CQSZACIVSA-N -1 0 331.372 3.571 20 0 EHADRM O=C([O-])CCCSc1nnc(-c2c[nH]c3ccccc32)n1C1CC1 ZINC000821524727 597751386 /nfs/dbraw/zinc/75/13/86/597751386.db2.gz JLNZZAZHOKBCOV-UHFFFAOYSA-N -1 0 342.424 3.718 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2c(-c3ccccc3)ncn2C2CC2)c1 ZINC000821549942 598142510 /nfs/dbraw/zinc/14/25/10/598142510.db2.gz XDPNYJGJVJLRTN-UHFFFAOYSA-N -1 0 347.374 3.836 20 0 EHADRM C[C@H](C(=O)NC1CCC(C(=O)[O-])CC1)c1ccccc1C(F)(F)F ZINC000678303839 598143888 /nfs/dbraw/zinc/14/38/88/598143888.db2.gz VEADIMPFSBBTCK-UNXYVOJBSA-N -1 0 343.345 3.569 20 0 EHADRM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000820199522 598184276 /nfs/dbraw/zinc/18/42/76/598184276.db2.gz AYYKMHJVJUROJV-LLVKDONJSA-N -1 0 348.349 3.566 20 0 EHADRM CC(C)c1ccc([C@H](NC(=O)CCSCC(=O)[O-])C(C)C)cc1 ZINC000736512689 599706313 /nfs/dbraw/zinc/70/63/13/599706313.db2.gz MAOJJUFCHHKLED-GOSISDBHSA-N -1 0 337.485 3.831 20 0 EHADRM CC(C)(CCc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000325654759 599710340 /nfs/dbraw/zinc/71/03/40/599710340.db2.gz IIUJUGFHNDTQDH-UHFFFAOYSA-N -1 0 326.396 3.918 20 0 EHADRM O=C([O-])[C@@H](c1ccc(F)cc1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000516314659 599711469 /nfs/dbraw/zinc/71/14/69/599711469.db2.gz AQLRAFOWCNLTRL-DLBZAZTESA-N -1 0 349.789 3.678 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)ccc1F ZINC000740006748 599715245 /nfs/dbraw/zinc/71/52/45/599715245.db2.gz WLYCHRJJZXFUIN-GXTWGEPZSA-N -1 0 347.321 3.732 20 0 EHADRM COc1ccccc1CN(C)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000738132843 599715908 /nfs/dbraw/zinc/71/59/08/599715908.db2.gz FEUGTYWXCXJEIN-UHFFFAOYSA-N -1 0 347.346 3.588 20 0 EHADRM CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCNC(=O)[O-] ZINC000736472654 599724280 /nfs/dbraw/zinc/72/42/80/599724280.db2.gz ZAVVHQIJTPTNCV-UHFFFAOYSA-N -1 0 347.242 3.778 20 0 EHADRM O=C([O-])c1cc(NC(=O)Cc2ccccc2C(F)(F)F)ccc1F ZINC000739345769 599728836 /nfs/dbraw/zinc/72/88/36/599728836.db2.gz QMRBQTXAQFRFEZ-UHFFFAOYSA-N -1 0 341.260 3.724 20 0 EHADRM C[C@H](Sc1nnc(Cc2cccc(F)c2)o1)c1ccc(C(=O)[O-])o1 ZINC000736715588 599731303 /nfs/dbraw/zinc/73/13/03/599731303.db2.gz UQWVDWRAGHUNRC-VIFPVBQESA-N -1 0 348.355 3.944 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C(=O)CCCN(C)C(=O)[O-])C1CC1 ZINC000736719492 599736811 /nfs/dbraw/zinc/73/68/11/599736811.db2.gz WBFVLHOIGQLYBQ-GFCCVEGCSA-N -1 0 338.835 3.782 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000236956822 599741922 /nfs/dbraw/zinc/74/19/22/599741922.db2.gz BFCMHEAROZXUTP-LIRRHRJNSA-N -1 0 325.408 3.512 20 0 EHADRM O=C([O-])C1(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)CCCCCC1 ZINC000431968807 599745029 /nfs/dbraw/zinc/74/50/29/599745029.db2.gz BWFNPAPQFYGMIX-UHFFFAOYSA-N -1 0 348.830 3.658 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)Nc2ccc(OCC(=O)[O-])cc2C)cc1 ZINC000236947907 599745443 /nfs/dbraw/zinc/74/54/43/599745443.db2.gz NSWIQRURXUFGPS-CQSZACIVSA-N -1 0 341.407 3.763 20 0 EHADRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000059991984 599759617 /nfs/dbraw/zinc/75/96/17/599759617.db2.gz HWLNAJHPYNDARJ-FQEVSTJZSA-N -1 0 345.398 3.779 20 0 EHADRM CCSc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)cn1 ZINC000737229041 599763665 /nfs/dbraw/zinc/76/36/65/599763665.db2.gz HQQWAKWLPFQSEN-UHFFFAOYSA-N -1 0 336.800 3.798 20 0 EHADRM Cc1cccc(COc2ccc([C@H](C)NC(=O)CCC(=O)[O-])cc2)c1 ZINC000269956180 599764504 /nfs/dbraw/zinc/76/45/04/599764504.db2.gz RIMCRBZZCBTBSV-HNNXBMFYSA-N -1 0 341.407 3.616 20 0 EHADRM CCC[C@H](Cc1ccccc1)NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736969502 599765538 /nfs/dbraw/zinc/76/55/38/599765538.db2.gz HXOTXOUWAWWGMK-QGZVFWFLSA-N -1 0 326.396 3.918 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000238032800 599765712 /nfs/dbraw/zinc/76/57/12/599765712.db2.gz ZEWHIEBSZVAEEX-UHFFFAOYSA-N -1 0 337.297 3.975 20 0 EHADRM Cc1ccccc1SCC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000237576614 599766204 /nfs/dbraw/zinc/76/62/04/599766204.db2.gz ORBYXIAOTPBDBV-UHFFFAOYSA-N -1 0 329.421 3.743 20 0 EHADRM Cc1nc(Cc2cn3cc(Cl)cc(Cl)c3n2)sc1C(=O)[O-] ZINC000738353037 599776286 /nfs/dbraw/zinc/77/62/86/599776286.db2.gz UFNWRKNWYGOMTB-UHFFFAOYSA-N -1 0 342.207 3.695 20 0 EHADRM O=C([O-])c1sc(N2CC[C@H](c3cccc(F)c3)C2)nc1Cl ZINC000740278562 599780423 /nfs/dbraw/zinc/78/04/23/599780423.db2.gz HWNPLDAGXWRMOU-VIFPVBQESA-N -1 0 326.780 3.628 20 0 EHADRM Cc1ccc2c(CC(=O)Oc3cc(Cl)ccc3C(=O)[O-])c[nH]c2c1 ZINC000738666018 599797698 /nfs/dbraw/zinc/79/76/98/599797698.db2.gz PXMVDQNKQIFFIR-UHFFFAOYSA-N -1 0 343.766 3.976 20 0 EHADRM COc1ccc(Cl)c2c1N(C(=O)c1cccc(C(=O)[O-])c1)CCC2 ZINC000738015941 599798845 /nfs/dbraw/zinc/79/88/45/599798845.db2.gz NLZMSOJMNAMIMT-UHFFFAOYSA-N -1 0 345.782 3.640 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)c1ccc(C(F)F)cc1)C(=O)[O-] ZINC000736582443 599811433 /nfs/dbraw/zinc/81/14/33/599811433.db2.gz HVIJUQHEOYCWGC-CYBMUJFWSA-N -1 0 347.361 3.987 20 0 EHADRM CC(C)(C)c1csc(CCNC(=O)Nc2ccc(C(=O)[O-])cc2)n1 ZINC000736299543 599815369 /nfs/dbraw/zinc/81/53/69/599815369.db2.gz MBYGZEZDTNWBLV-UHFFFAOYSA-N -1 0 347.440 3.503 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)c1ccc(SC(F)(F)F)cc1)C(=O)[O-] ZINC000237049319 599816405 /nfs/dbraw/zinc/81/64/05/599816405.db2.gz SDQQYBVTBFZKBK-LDYMZIIASA-N -1 0 335.347 3.528 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2SC(F)(F)F)nc1 ZINC000238060699 599818727 /nfs/dbraw/zinc/81/87/27/599818727.db2.gz UFVAMYJHLYBPBI-UHFFFAOYSA-N -1 0 342.298 3.644 20 0 EHADRM Cc1cc2ccccc2n1CC(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000323997960 599819289 /nfs/dbraw/zinc/81/92/89/599819289.db2.gz DVAWYMUCGKVQMJ-UHFFFAOYSA-N -1 0 342.782 3.940 20 0 EHADRM CCC[C@H](NC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccccn1 ZINC000736974245 599822497 /nfs/dbraw/zinc/82/24/97/599822497.db2.gz PLBUKEDZQHFBJQ-KRWDZBQOSA-N -1 0 341.411 3.762 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000738488503 599823807 /nfs/dbraw/zinc/82/38/07/599823807.db2.gz SMGBVBSTQCEMPE-CQSZACIVSA-N -1 0 344.436 3.596 20 0 EHADRM CCCCCCOc1ccc(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000736984371 599825331 /nfs/dbraw/zinc/82/53/31/599825331.db2.gz YOCMSJNYDRCOQA-INIZCTEOSA-N -1 0 348.443 3.518 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N[C@@H]2CCc3cc(F)ccc32)cc1 ZINC000739762019 599825498 /nfs/dbraw/zinc/82/54/98/599825498.db2.gz YOGDQPHUIQYVLY-QGZVFWFLSA-N -1 0 342.370 3.652 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000325553085 599825609 /nfs/dbraw/zinc/82/56/09/599825609.db2.gz VNLGQKBUSXTGBF-GFCCVEGCSA-N -1 0 344.333 3.510 20 0 EHADRM CN(Cc1ccc(F)cc1F)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000737476236 599827280 /nfs/dbraw/zinc/82/72/80/599827280.db2.gz HCRKXYOJRSERLF-UHFFFAOYSA-N -1 0 348.349 3.646 20 0 EHADRM CC1CCC(OC2CCN(C(=O)c3cccc(C(=O)[O-])c3)CC2)CC1 ZINC000262047729 599833275 /nfs/dbraw/zinc/83/32/75/599833275.db2.gz BJNMBCKDTDZZKU-UHFFFAOYSA-N -1 0 345.439 3.585 20 0 EHADRM CN(Cc1cccc(Cl)c1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000321439636 599835734 /nfs/dbraw/zinc/83/57/34/599835734.db2.gz VQWLXKAZWRALHJ-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM C[C@H](c1ccccc1F)N(C)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000325107017 599836739 /nfs/dbraw/zinc/83/67/39/599836739.db2.gz XJZCYYPGVYQAHK-SNVBAGLBSA-N -1 0 334.322 3.888 20 0 EHADRM Cc1nc(CC(C)C)sc1C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000738351499 599836943 /nfs/dbraw/zinc/83/69/43/599836943.db2.gz UTFZCVVQWOYLOV-UHFFFAOYSA-N -1 0 332.425 3.625 20 0 EHADRM COc1ccc2oc(C)c(C(=O)N(C)c3ccccc3C(=O)[O-])c2c1 ZINC000738079964 599837878 /nfs/dbraw/zinc/83/78/78/599837878.db2.gz TUKRWDSNXFCXPO-UHFFFAOYSA-N -1 0 339.347 3.725 20 0 EHADRM Cc1csc(N(C(=O)CCCN(C)C(=O)[O-])c2ccccc2)n1 ZINC000738815769 599839641 /nfs/dbraw/zinc/83/96/41/599839641.db2.gz IETXZJCGRFLWBC-UHFFFAOYSA-N -1 0 333.413 3.506 20 0 EHADRM O=C([O-])c1sc(NCc2cccc(OCC(F)F)c2)nc1Cl ZINC000740279242 599842778 /nfs/dbraw/zinc/84/27/78/599842778.db2.gz OLQDWCBTQRCGLU-UHFFFAOYSA-N -1 0 348.758 3.751 20 0 EHADRM COc1ccc(Sc2ccc(NC(=O)CCC(=O)[O-])cc2)cc1 ZINC000345773097 599843889 /nfs/dbraw/zinc/84/38/89/599843889.db2.gz HKJDICPZABYCQG-UHFFFAOYSA-N -1 0 331.393 3.650 20 0 EHADRM COc1ccc(Sc2ccc(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])cc2)cc1 ZINC000362500469 599844063 /nfs/dbraw/zinc/84/40/63/599844063.db2.gz RZXICTBPIWIQFC-HZPDHXFCSA-N -1 0 343.404 3.506 20 0 EHADRM Cc1ccc(-c2cc(C(=O)Nc3cccc(F)c3C(=O)[O-])on2)cc1 ZINC000738488894 599844266 /nfs/dbraw/zinc/84/42/66/599844266.db2.gz WTRULEXPQFJRIL-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM O=C([O-])c1coc(Cn2c(COc3ccccc3)nc3ccccc32)c1 ZINC000740269720 599844458 /nfs/dbraw/zinc/84/44/58/599844458.db2.gz WKQNNVKUOBCNTA-UHFFFAOYSA-N -1 0 348.358 3.955 20 0 EHADRM CC(C)COc1cccc(C(=O)Nc2cccc(F)c2C(=O)[O-])c1 ZINC000325019702 599845975 /nfs/dbraw/zinc/84/59/75/599845975.db2.gz FJHUTAULRMFHBU-UHFFFAOYSA-N -1 0 331.343 3.811 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)Nc3cccc(F)c3C(=O)[O-])cc2C1 ZINC000319682409 599845984 /nfs/dbraw/zinc/84/59/84/599845984.db2.gz VRBNWZUQOBQDRT-SECBINFHSA-N -1 0 333.384 3.963 20 0 EHADRM Cc1cccc(CSCC(=O)Nc2cccc(F)c2C(=O)[O-])c1 ZINC000390604426 599846594 /nfs/dbraw/zinc/84/65/94/599846594.db2.gz GMOWNJOMPHMDCC-UHFFFAOYSA-N -1 0 333.384 3.704 20 0 EHADRM C[C@H]1CCc2c(C(=O)Nc3cccc(F)c3C(=O)[O-])csc2C1 ZINC000319639583 599847444 /nfs/dbraw/zinc/84/74/44/599847444.db2.gz QFUUPPRGESRZBG-VIFPVBQESA-N -1 0 333.384 3.963 20 0 EHADRM COc1ccccc1C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000676018362 599873076 /nfs/dbraw/zinc/87/30/76/599873076.db2.gz IGNXDSLMULZMMD-UHFFFAOYSA-N -1 0 341.388 3.538 20 0 EHADRM CCCO[C@H]1CCCN(C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)CC1 ZINC000737027972 599879703 /nfs/dbraw/zinc/87/97/03/599879703.db2.gz JKXPYRSHSUPWQV-INIZCTEOSA-N -1 0 349.431 3.614 20 0 EHADRM O=C([O-])c1coc(COC(=O)c2ccc(SC(F)(F)F)cc2)c1 ZINC000740269189 599879875 /nfs/dbraw/zinc/87/98/75/599879875.db2.gz FKAQYDNPMFFUDY-UHFFFAOYSA-N -1 0 346.282 3.947 20 0 EHADRM Cc1sc(NC(=O)N(C)Cc2ccc(C#N)cc2)c(C(=O)[O-])c1C ZINC000324970704 599880385 /nfs/dbraw/zinc/88/03/85/599880385.db2.gz NQTWPTAOGOPRDZ-UHFFFAOYSA-N -1 0 343.408 3.599 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)Nc2ccc(F)cc2)cc1 ZINC000738201782 599881079 /nfs/dbraw/zinc/88/10/79/599881079.db2.gz VYVNDOQXTGRGOA-OAHLLOKOSA-N -1 0 348.399 3.885 20 0 EHADRM COc1ccc(C2(C(=O)OCc3cc(C(=O)[O-])co3)CCCC2)cc1 ZINC000737973793 599884690 /nfs/dbraw/zinc/88/46/90/599884690.db2.gz UZVTZIVRLLPVNU-UHFFFAOYSA-N -1 0 344.363 3.542 20 0 EHADRM Cc1ccc2c(c1C)OC[C@H]2NC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000738670983 599886971 /nfs/dbraw/zinc/88/69/71/599886971.db2.gz OZEBDSSFRDNAAT-MRXNPFEDSA-N -1 0 340.379 3.565 20 0 EHADRM CSc1ccc(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)cc1 ZINC000738213463 599890701 /nfs/dbraw/zinc/89/07/01/599890701.db2.gz YNSVIRDXCDSVNU-UHFFFAOYSA-N -1 0 340.404 3.700 20 0 EHADRM CCC[C@](C)(NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000346021036 599892411 /nfs/dbraw/zinc/89/24/11/599892411.db2.gz YHQAQELHJWAYGW-QKLQHJQFSA-N -1 0 325.408 3.703 20 0 EHADRM CCCOC(=O)c1ccc(NC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000737029537 599894100 /nfs/dbraw/zinc/89/41/00/599894100.db2.gz JDBLUYNXJWUANZ-UHFFFAOYSA-N -1 0 342.351 3.596 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)c1ccccc1 ZINC000238022000 599896853 /nfs/dbraw/zinc/89/68/53/599896853.db2.gz NUSQIGNEYXIWPJ-VAMGGRTRSA-N -1 0 345.398 3.885 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)c1ccccc1 ZINC000238022876 599896933 /nfs/dbraw/zinc/89/69/33/599896933.db2.gz NUSQIGNEYXIWPJ-XUVXKRRUSA-N -1 0 345.398 3.885 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2CCCc3c(F)cc(F)cc32)c1 ZINC000740026756 599904120 /nfs/dbraw/zinc/90/41/20/599904120.db2.gz BOJABFLQSDWJPV-UHFFFAOYSA-N -1 0 332.306 3.648 20 0 EHADRM O=C([O-])CCC(=O)Oc1c(Cl)cc(Br)cc1Cl ZINC000738565018 599904784 /nfs/dbraw/zinc/90/47/84/599904784.db2.gz BYXKUELFLCKNDD-UHFFFAOYSA-N -1 0 341.972 3.526 20 0 EHADRM O=C([O-])c1cnc(/C=C/c2cccc(OCC(F)(F)F)c2)s1 ZINC000523956220 599907921 /nfs/dbraw/zinc/90/79/21/599907921.db2.gz DYUFNFOJMJMWCM-SNAWJCMRSA-N -1 0 329.299 3.953 20 0 EHADRM COc1cccc(OCc2c3ccccc3sc2C(=O)[O-])c1C=O ZINC000738108959 599908861 /nfs/dbraw/zinc/90/88/61/599908861.db2.gz KCFDAKCOMIFHJD-UHFFFAOYSA-N -1 0 342.372 4.000 20 0 EHADRM CC(C)COc1ncccc1C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736449157 599912830 /nfs/dbraw/zinc/91/28/30/599912830.db2.gz CVAAINXYLILFGW-UHFFFAOYSA-N -1 0 347.346 3.598 20 0 EHADRM Cc1cc(NC(=O)C2(c3cccc(F)c3)CCC2)ccc1C(=O)[O-] ZINC000237794290 599916292 /nfs/dbraw/zinc/91/62/92/599916292.db2.gz PIAIMKHCJXEADM-UHFFFAOYSA-N -1 0 327.355 3.893 20 0 EHADRM Cc1cc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCC3)ccc1C(=O)[O-] ZINC000540670719 599916616 /nfs/dbraw/zinc/91/66/16/599916616.db2.gz QAVZXOLDIGJYKJ-ZDUSSCGKSA-N -1 0 339.391 3.588 20 0 EHADRM COc1ccc(SCCC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000341213491 599917042 /nfs/dbraw/zinc/91/70/42/599917042.db2.gz NXJXNHFLJLLMKD-UHFFFAOYSA-N -1 0 345.420 3.823 20 0 EHADRM Cc1cc(NC(=O)CSc2ccc(F)c(F)c2)ccc1C(=O)[O-] ZINC000237711470 599917089 /nfs/dbraw/zinc/91/70/89/599917089.db2.gz WGSUZXROJVRJHA-UHFFFAOYSA-N -1 0 337.347 3.702 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000738194461 599925595 /nfs/dbraw/zinc/92/55/95/599925595.db2.gz AGLSRDVIUFKAOC-NSHDSACASA-N -1 0 347.436 3.621 20 0 EHADRM CC(C)C[C@H](NC(=O)CCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000557977050 599926050 /nfs/dbraw/zinc/92/60/50/599926050.db2.gz DHUFAFCBKUHHBL-ZDUSSCGKSA-N -1 0 331.334 3.774 20 0 EHADRM C[C@@H]1CCCC[C@H]1NC(=S)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000736785479 599926855 /nfs/dbraw/zinc/92/68/55/599926855.db2.gz PSSCWHACAYCXKQ-BMFZPTHFSA-N -1 0 334.485 3.635 20 0 EHADRM O=C([O-])CC[C@@H](NC(=S)Nc1ccc(F)cc1)c1ccccc1 ZINC000739662424 599927228 /nfs/dbraw/zinc/92/72/28/599927228.db2.gz FEUYOHUQQHXFKH-OAHLLOKOSA-N -1 0 332.400 3.718 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000237028123 599927737 /nfs/dbraw/zinc/92/77/37/599927737.db2.gz SQSKKZUJLYNHJE-UHFFFAOYSA-N -1 0 333.334 3.569 20 0 EHADRM COc1cccc([C@H](C)C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000181653365 599931244 /nfs/dbraw/zinc/93/12/44/599931244.db2.gz VYWIKLPJBRGPIS-KBXCAEBGSA-N -1 0 341.407 3.521 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)c1cc2c(s1)CCC2)c1ccccc1 ZINC000193450675 599937068 /nfs/dbraw/zinc/93/70/68/599937068.db2.gz QQYVNYZQDJRVBE-CQSZACIVSA-N -1 0 329.421 3.573 20 0 EHADRM CCc1onc(C)c1C(=O)OCc1c2ccccc2sc1C(=O)[O-] ZINC000737292537 599943429 /nfs/dbraw/zinc/94/34/29/599943429.db2.gz QTBZEXMWSPNAMR-UHFFFAOYSA-N -1 0 345.376 3.815 20 0 EHADRM O=C([O-])[C@H](CNC(=O)CCC1CCCCC1)Cc1cccc(F)c1 ZINC000486180340 599948949 /nfs/dbraw/zinc/94/89/49/599948949.db2.gz RVGZSRFCDOHSIW-INIZCTEOSA-N -1 0 335.419 3.546 20 0 EHADRM O=C([O-])c1ccoc1COC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000740252892 599953289 /nfs/dbraw/zinc/95/32/89/599953289.db2.gz OSEPUQCTELUXNN-DLBZAZTESA-N -1 0 336.343 3.978 20 0 EHADRM CSC[C@@H](C)C(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C1CC1 ZINC000738188409 599970369 /nfs/dbraw/zinc/97/03/69/599970369.db2.gz KBIASJGVJWXPBF-SNVBAGLBSA-N -1 0 347.436 3.887 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)[C@@H](C)c1ccccc1F)C(=O)[O-] ZINC000237485330 599971539 /nfs/dbraw/zinc/97/15/39/599971539.db2.gz CJWNZNBVSDYOTN-GJZGRUSLSA-N -1 0 343.398 3.679 20 0 EHADRM Cc1[nH]c2ccccc2c1C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000237763879 599986649 /nfs/dbraw/zinc/98/66/49/599986649.db2.gz ZPPFDYSZFPFGMD-UHFFFAOYSA-N -1 0 338.363 3.500 20 0 EHADRM Cc1c(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)cccc1C(=O)[O-] ZINC000678976548 599995656 /nfs/dbraw/zinc/99/56/56/599995656.db2.gz ZIIRRVHWOLUQMH-OLZOCXBDSA-N -1 0 331.318 3.714 20 0 EHADRM CC(C)c1ccc(C(=O)COC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000736512824 599996507 /nfs/dbraw/zinc/99/65/07/599996507.db2.gz OAYJZKSFJCXBFE-UHFFFAOYSA-N -1 0 341.363 3.940 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)c1 ZINC000737734882 600000585 /nfs/dbraw/zinc/00/05/85/600000585.db2.gz PVGWDOOLMMMTPI-LLVKDONJSA-N -1 0 346.383 3.658 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cc3cccc(C)c3o2)c1 ZINC000737933943 600001206 /nfs/dbraw/zinc/00/12/06/600001206.db2.gz SQRPFRVNVYWQPV-UHFFFAOYSA-N -1 0 325.320 3.700 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC000013260807 600015404 /nfs/dbraw/zinc/01/54/04/600015404.db2.gz AUGIVYGQQHGKKX-CQSZACIVSA-N -1 0 343.354 3.555 20 0 EHADRM Cc1cc(NC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)ccc1C(=O)[O-] ZINC000738443816 600017002 /nfs/dbraw/zinc/01/70/02/600017002.db2.gz YWZOIGYMBCHXHP-QWRGUYRKSA-N -1 0 344.333 3.936 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(C)c1)c1ccc(OC)cc1 ZINC000736913367 600017459 /nfs/dbraw/zinc/01/74/59/600017459.db2.gz AZAWAHSSMKYFCX-KRWDZBQOSA-N -1 0 342.395 3.975 20 0 EHADRM Cc1cc(NC(=O)NCCCOC2CCCCC2)ccc1C(=O)[O-] ZINC000738442710 600018165 /nfs/dbraw/zinc/01/81/65/600018165.db2.gz ZDWMYMPMPVANPF-UHFFFAOYSA-N -1 0 334.416 3.554 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)s1 ZINC000321630856 600018820 /nfs/dbraw/zinc/01/88/20/600018820.db2.gz IWRFKEXINQHUTO-LLVKDONJSA-N -1 0 330.409 3.541 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Nc1cccc(-n2cccc2)c1)c1ccccc1 ZINC000738565326 600022378 /nfs/dbraw/zinc/02/23/78/600022378.db2.gz ILNJQJLGWSXQIA-SFHVURJKSA-N -1 0 349.390 3.815 20 0 EHADRM CC(C)Oc1ccc(Cl)cc1C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000736495222 600023614 /nfs/dbraw/zinc/02/36/14/600023614.db2.gz ZWJYQUOUZXJBFI-UHFFFAOYSA-N -1 0 348.782 3.974 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)c2ccnc(Oc3ccccc3)c2)c1 ZINC000739889337 600025158 /nfs/dbraw/zinc/02/51/58/600025158.db2.gz RZDICZJEACKGSU-UHFFFAOYSA-N -1 0 349.342 3.720 20 0 EHADRM O=C([O-])C1CCC(NC(=O)Nc2ccc(SC(F)F)cc2)CC1 ZINC000263459547 600026495 /nfs/dbraw/zinc/02/64/95/600026495.db2.gz DDBMGQBDIMHIGD-UHFFFAOYSA-N -1 0 344.383 3.766 20 0 EHADRM Cc1ccc(SCC(=O)Oc2cccc(CC(=O)[O-])c2)c(C)c1 ZINC000738668325 600027323 /nfs/dbraw/zinc/02/73/23/600027323.db2.gz YFEQFLFYUHXBGE-UHFFFAOYSA-N -1 0 330.405 3.628 20 0 EHADRM CCc1ccc(CN(C(=O)NC2CCC(C(=O)[O-])CC2)C2CC2)cc1 ZINC000263495743 600028922 /nfs/dbraw/zinc/02/89/22/600028922.db2.gz SSSFHGNNFJNPJY-UHFFFAOYSA-N -1 0 344.455 3.566 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)N(CCc2ccccc2)C2CC2)c1 ZINC000740140545 600031558 /nfs/dbraw/zinc/03/15/58/600031558.db2.gz KOUATLDVARBETH-UHFFFAOYSA-N -1 0 342.370 3.763 20 0 EHADRM CCN(CC)c1ccc(NC(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000737094187 600033364 /nfs/dbraw/zinc/03/33/64/600033364.db2.gz KZKFLJVBEWWVRB-UHFFFAOYSA-N -1 0 340.423 3.802 20 0 EHADRM COc1ccccc1C/C(C)=C/C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000738124579 600035602 /nfs/dbraw/zinc/03/56/02/600035602.db2.gz SCNFZZOIZJCEMC-ZHACJKMWSA-N -1 0 331.393 3.582 20 0 EHADRM C[C@H](Cc1ccccc1Cl)NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000736628101 600039531 /nfs/dbraw/zinc/03/95/31/600039531.db2.gz VBXRFKNPDAZHCB-CYBMUJFWSA-N -1 0 345.826 3.718 20 0 EHADRM CC(C)COc1ccc(CC(=O)Nc2cccc(F)c2C(=O)[O-])cc1 ZINC000736446398 600040218 /nfs/dbraw/zinc/04/02/18/600040218.db2.gz QIMYVHXKSXVVRD-UHFFFAOYSA-N -1 0 345.370 3.740 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N2CCCc3cc(F)cc(F)c32)cc1 ZINC000740123798 600040868 /nfs/dbraw/zinc/04/08/68/600040868.db2.gz OERHFPJQZMQOHN-UHFFFAOYSA-N -1 0 345.345 3.575 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CCC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)o1 ZINC000327099881 600042585 /nfs/dbraw/zinc/04/25/85/600042585.db2.gz XGXGGXRHVZMOQY-YVEFUNNKSA-N -1 0 339.391 3.576 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)C1(c3cccc(Cl)c3)CC1)C2 ZINC000621555464 600044787 /nfs/dbraw/zinc/04/47/87/600044787.db2.gz PFYAWMQGDRFRPU-UHFFFAOYSA-N -1 0 341.794 3.612 20 0 EHADRM CC(C)(C)c1ccc(CCC(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000262048270 600053033 /nfs/dbraw/zinc/05/30/33/600053033.db2.gz IEELFGXWKIQSOO-UHFFFAOYSA-N -1 0 331.456 3.676 20 0 EHADRM C[C@H](NC(=S)Nc1ccc(F)c(NC(=O)[O-])c1)c1ccccc1 ZINC000736660583 600056881 /nfs/dbraw/zinc/05/68/81/600056881.db2.gz LQXGZMXGVBRDJD-JTQLQIEISA-N -1 0 333.388 3.963 20 0 EHADRM CC(C)COc1ccc(CC(=O)Oc2ccc(NC(=O)[O-])cc2)cc1 ZINC000736446937 600058955 /nfs/dbraw/zinc/05/89/55/600058955.db2.gz ZHZINGKQMJIJFN-UHFFFAOYSA-N -1 0 343.379 3.959 20 0 EHADRM Cc1cccc(C[C@H](CNC(=O)C[C@@H](C)c2ccccc2)C(=O)[O-])c1 ZINC000237645450 600061519 /nfs/dbraw/zinc/06/15/19/600061519.db2.gz CEXJWWKLWKUWSL-VQIMIIECSA-N -1 0 339.435 3.548 20 0 EHADRM CC[C@H](CC(=O)Nc1ccc(OCC(=O)[O-])cc1C)c1ccccc1 ZINC000236939030 600062138 /nfs/dbraw/zinc/06/21/38/600062138.db2.gz JJFGBNIQAXZGQI-OAHLLOKOSA-N -1 0 341.407 3.981 20 0 EHADRM Cc1cccc(CC(=O)Nc2cccc(CSCCC(=O)[O-])c2)c1 ZINC000237624012 600066625 /nfs/dbraw/zinc/06/66/25/600066625.db2.gz NCNXNYINCAQDGR-UHFFFAOYSA-N -1 0 343.448 3.884 20 0 EHADRM CC(F)(F)CCC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000736627260 600066850 /nfs/dbraw/zinc/06/68/50/600066850.db2.gz DRJVZZAEYNRECQ-UHFFFAOYSA-N -1 0 331.384 3.768 20 0 EHADRM CC(C)c1ccc(NC(=O)CN(C)c2ccccc2)c(C(=O)[O-])c1 ZINC000736515798 600073925 /nfs/dbraw/zinc/07/39/25/600073925.db2.gz RJPIUUYJSXOWRH-UHFFFAOYSA-N -1 0 326.396 3.583 20 0 EHADRM CCCCCNC(=O)COc1cc(-c2ccccc2)sc1C(=O)[O-] ZINC000736990452 600076253 /nfs/dbraw/zinc/07/62/53/600076253.db2.gz KOESOKKEAKIVJK-UHFFFAOYSA-N -1 0 347.436 3.799 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)c2cc(C3CC3)on2)c1 ZINC000262397913 600076657 /nfs/dbraw/zinc/07/66/57/600076657.db2.gz LSIFECMMMMIBLI-UHFFFAOYSA-N -1 0 346.408 3.512 20 0 EHADRM CCC[C@H](NC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000362489401 600078406 /nfs/dbraw/zinc/07/84/06/600078406.db2.gz OIECAASUVAHENF-KWBADKCTSA-N -1 0 330.211 3.672 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000362484093 600081430 /nfs/dbraw/zinc/08/14/30/600081430.db2.gz DVMWNCBSFFIXGV-MJBXVCDLSA-N -1 0 343.345 3.630 20 0 EHADRM CN(Cc1nc2ccccc2s1)Cc1ccc(F)cc1C(=O)[O-] ZINC000737495620 600082597 /nfs/dbraw/zinc/08/25/97/600082597.db2.gz IJGYHKQQQDEFRN-UHFFFAOYSA-N -1 0 330.384 3.766 20 0 EHADRM CC(C)(C)c1nc(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cs1 ZINC000736298661 600085972 /nfs/dbraw/zinc/08/59/72/600085972.db2.gz GIGYPNYCALBFJI-UHFFFAOYSA-N -1 0 337.376 3.922 20 0 EHADRM CCCc1nc(C)c(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)s1 ZINC000737051505 600086783 /nfs/dbraw/zinc/08/67/83/600086783.db2.gz UAUDKHQLYRRDJX-UHFFFAOYSA-N -1 0 337.376 3.885 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2ccc(Cl)nc2Cl)ccc1F ZINC000740011996 600086846 /nfs/dbraw/zinc/08/68/46/600086846.db2.gz IFZPEMMDXBJRQT-UHFFFAOYSA-N -1 0 344.129 3.870 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2ccc3ncccc3c2)ccc1F ZINC000740011997 600087088 /nfs/dbraw/zinc/08/70/88/600087088.db2.gz IGCBWHQPODJLHO-UHFFFAOYSA-N -1 0 325.299 3.716 20 0 EHADRM CCc1ccc(-c2noc(CN3Cc4ccc(C(=O)[O-])cc4C3)n2)cc1 ZINC000659791035 600089130 /nfs/dbraw/zinc/08/91/30/600089130.db2.gz KEJYMRLFLCPPIX-UHFFFAOYSA-N -1 0 349.390 3.513 20 0 EHADRM CCc1cccc2c(CC(=O)OCc3ccc(C(=O)[O-])cc3)c[nH]c21 ZINC000737270375 600089390 /nfs/dbraw/zinc/08/93/90/600089390.db2.gz QUIUNQFDUSHIHK-UHFFFAOYSA-N -1 0 337.375 3.714 20 0 EHADRM Cc1ccccc1S(=O)(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000325147487 600095606 /nfs/dbraw/zinc/09/56/06/600095606.db2.gz JWEWFTVJUNIRMS-UHFFFAOYSA-N -1 0 341.388 3.647 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]1c1nc(-c2ccccc2OCc2ccccc2)no1 ZINC000739561330 600109422 /nfs/dbraw/zinc/10/94/22/600109422.db2.gz YUAZFPGQJRJMPD-LSDHHAIUSA-N -1 0 336.347 3.504 20 0 EHADRM O=C([O-])c1ccc(-c2noc(COc3ccc(F)c(Cl)c3)n2)cc1 ZINC000740101479 600111736 /nfs/dbraw/zinc/11/17/36/600111736.db2.gz NENBPWRIFOJKHY-UHFFFAOYSA-N -1 0 348.717 3.806 20 0 EHADRM COc1ccc(CCCCCC(=O)N2CCC(CC(=O)[O-])CC2)cc1 ZINC000262373791 600113519 /nfs/dbraw/zinc/11/35/19/600113519.db2.gz BGSRFVARGNHYLO-UHFFFAOYSA-N -1 0 347.455 3.511 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)[C@@H]1CCCc2ccccc21 ZINC000740077707 600114171 /nfs/dbraw/zinc/11/41/71/600114171.db2.gz GXQGZTMMMGNRNW-MRXNPFEDSA-N -1 0 328.339 3.687 20 0 EHADRM O=C([O-])c1ccc(-c2noc([C@@H]3C[C@H]3c3ccc(F)c(F)c3)n2)cc1 ZINC000740101506 600115130 /nfs/dbraw/zinc/11/51/30/600115130.db2.gz OQJZZGFFXIZJGS-QWHCGFSZSA-N -1 0 342.301 3.984 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)CCSCC(=O)[O-] ZINC000737267262 600125210 /nfs/dbraw/zinc/12/52/10/600125210.db2.gz VFLHZETXRDKDTO-UHFFFAOYSA-N -1 0 329.849 3.611 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)C=C(C)c1ccc(F)cc1 ZINC000736186997 600125881 /nfs/dbraw/zinc/12/58/81/600125881.db2.gz SPRTURFFZKKZFZ-LUAWRHEFSA-N -1 0 342.322 3.735 20 0 EHADRM Cc1oc(CN(C)C(=O)N[C@@H]2CCC[C@H](C(C)C)C2)cc1C(=O)[O-] ZINC000738967069 600126110 /nfs/dbraw/zinc/12/61/10/600126110.db2.gz JFHHZNPPQSEZST-UONOGXRCSA-N -1 0 336.432 3.642 20 0 EHADRM CC[C@@](NC(=O)c1cc2cccc(C)c2o1)(C(=O)[O-])c1ccccc1 ZINC000485384699 600128467 /nfs/dbraw/zinc/12/84/67/600128467.db2.gz OYTLTZSODWAVJU-FQEVSTJZSA-N -1 0 337.375 3.861 20 0 EHADRM Cc1ccc(OC(=O)COc2c(C)cc(C)cc2C)c(C(=O)[O-])c1 ZINC000738358864 600134493 /nfs/dbraw/zinc/13/44/93/600134493.db2.gz RFGUBBGJLXMCLJ-UHFFFAOYSA-N -1 0 328.364 3.603 20 0 EHADRM CCCCC1CCC(C(=O)OCC(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000736984130 600138415 /nfs/dbraw/zinc/13/84/15/600138415.db2.gz GXQHEONVHKOZME-UHFFFAOYSA-N -1 0 336.384 3.700 20 0 EHADRM Cc1cc(C)c(C)c(OCCC(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000738354543 600143044 /nfs/dbraw/zinc/14/30/44/600143044.db2.gz BWVPOKQGTAHYSB-UHFFFAOYSA-N -1 0 327.380 3.718 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)CCc1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000236932907 600150375 /nfs/dbraw/zinc/15/03/75/600150375.db2.gz VDTJLSFJTIAJSK-IFXJQAMLSA-N -1 0 347.455 3.556 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1cccc(C(F)F)c1)C(=O)[O-] ZINC000450501487 600159231 /nfs/dbraw/zinc/15/92/31/600159231.db2.gz PVCKPRKFNGZSMT-ZDUSSCGKSA-N -1 0 347.361 3.987 20 0 EHADRM Cc1ccc([C@H](CNC(=O)/C=C/Sc2ccccc2)C(=O)[O-])cc1 ZINC000738554594 600161777 /nfs/dbraw/zinc/16/17/77/600161777.db2.gz QDXGQGGWIGBAKE-FLVLSHQESA-N -1 0 341.432 3.585 20 0 EHADRM Cc1nc(Nc2ccc(CCC(=O)[O-])cc2)cc(-c2cccnc2)n1 ZINC000738865564 600162338 /nfs/dbraw/zinc/16/23/38/600162338.db2.gz UDXVWJNBDKUDQN-UHFFFAOYSA-N -1 0 334.379 3.608 20 0 EHADRM Cc1ccc([C@H](CNC(=O)C[C@H](C)C2CCCCC2)C(=O)[O-])cc1 ZINC000486381362 600165222 /nfs/dbraw/zinc/16/52/22/600165222.db2.gz QYBFUJXQYZEDHH-YJBOKZPZSA-N -1 0 331.456 3.886 20 0 EHADRM CSc1ccc(NC(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000738212519 600176509 /nfs/dbraw/zinc/17/65/09/600176509.db2.gz LVUWUAVNDASNBL-MRXNPFEDSA-N -1 0 344.436 3.707 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)N2CC[C@@H](c3ccccc3F)C2)c1 ZINC000740141099 600177699 /nfs/dbraw/zinc/17/76/99/600177699.db2.gz ZGMUAGJCKUBJJB-GFCCVEGCSA-N -1 0 346.333 3.684 20 0 EHADRM CCCC[C@@H](Cc1ccccn1)OC(=O)c1cccc(C(=O)[O-])c1 ZINC000736981768 600179187 /nfs/dbraw/zinc/17/91/87/600179187.db2.gz HJIKZDIIMIXKHH-KRWDZBQOSA-N -1 0 327.380 3.738 20 0 EHADRM CCN(C(=O)Nc1cccc(C(=O)[O-])c1C)[C@@H](C)c1cccnc1 ZINC000737058170 600180841 /nfs/dbraw/zinc/18/08/41/600180841.db2.gz MZAJLBGKJOFQGR-ZDUSSCGKSA-N -1 0 327.384 3.703 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)Nc1cccc(NC(=O)[O-])c1)C(C)C ZINC000738787178 600183090 /nfs/dbraw/zinc/18/30/90/600183090.db2.gz UAGHURFVTQBCAL-OAHLLOKOSA-N -1 0 342.399 3.999 20 0 EHADRM O=C([O-])CCc1nc(CSc2cc(Cl)ccc2Cl)no1 ZINC000739771186 600184498 /nfs/dbraw/zinc/18/44/98/600184498.db2.gz HQCULTINSUYJLO-UHFFFAOYSA-N -1 0 333.196 3.686 20 0 EHADRM CC(C)(C)Oc1ccccc1NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736287154 600184630 /nfs/dbraw/zinc/18/46/30/600184630.db2.gz XKTMQENHRBWVLA-ZDUSSCGKSA-N -1 0 346.427 3.583 20 0 EHADRM Cc1ccc(F)c(NC(=S)N2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000738604365 600188994 /nfs/dbraw/zinc/18/89/94/600188994.db2.gz QMKCGVLKSOVKPV-LBPRGKRZSA-N -1 0 330.384 3.519 20 0 EHADRM O=C([O-])C1(NC(=O)c2ccc(-c3ccccc3)[nH]2)CCCCCC1 ZINC000431974837 600192919 /nfs/dbraw/zinc/19/29/19/600192919.db2.gz VEKBVCQVFHIWHQ-UHFFFAOYSA-N -1 0 326.396 3.589 20 0 EHADRM CC(C)c1ccc(CS(=O)(=O)C[C@@H](C)C(=O)[O-])c(C(C)C)c1 ZINC000736607163 600197422 /nfs/dbraw/zinc/19/74/22/600197422.db2.gz MILHFVLTUZAJFO-CYBMUJFWSA-N -1 0 326.458 3.569 20 0 EHADRM Cc1cccc(C2(C(=O)Nc3ccc(C(=O)[O-])cc3F)CCC2)c1 ZINC000325050599 600199748 /nfs/dbraw/zinc/19/97/48/600199748.db2.gz SWFHMZFICSSXTR-UHFFFAOYSA-N -1 0 327.355 3.893 20 0 EHADRM Cc1ccc(SCC(=O)Nc2ccc(C(=O)[O-])cc2F)c(C)c1 ZINC000479575493 600200435 /nfs/dbraw/zinc/20/04/35/600200435.db2.gz DEYZMNRAMXOUJC-UHFFFAOYSA-N -1 0 333.384 3.872 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000621558041 600202341 /nfs/dbraw/zinc/20/23/41/600202341.db2.gz WHOWURXRQJJRBD-QGZVFWFLSA-N -1 0 341.432 3.798 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000120214874 600205343 /nfs/dbraw/zinc/20/53/43/600205343.db2.gz WAQZYCKUUBVYSE-NEPJUHHUSA-N -1 0 331.318 3.714 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)c1 ZINC000740043760 600207154 /nfs/dbraw/zinc/20/71/54/600207154.db2.gz WSKPMIUHANNYSA-RYUDHWBXSA-N -1 0 332.306 3.797 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000262586638 600207414 /nfs/dbraw/zinc/20/74/14/600207414.db2.gz GSXPGSMEAMSICC-KSSFIOAISA-N -1 0 343.398 3.960 20 0 EHADRM Cc1oc(CN(C)C(=O)C[C@H](C)c2cccc(F)c2)cc1C(=O)[O-] ZINC000262468476 600211443 /nfs/dbraw/zinc/21/14/43/600211443.db2.gz JEXJHLSSMORSMF-NSHDSACASA-N -1 0 333.359 3.578 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc3cc[nH]c3c2)c(OC(F)F)c1 ZINC000740156076 600211606 /nfs/dbraw/zinc/21/16/06/600211606.db2.gz CBDOKVIEJLRKML-UHFFFAOYSA-N -1 0 346.289 3.720 20 0 EHADRM Cc1ccsc1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000738799903 600213463 /nfs/dbraw/zinc/21/34/63/600213463.db2.gz MEXSKFQLJHNDML-UHFFFAOYSA-N -1 0 327.308 3.608 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)ccc1F ZINC000738335228 600213468 /nfs/dbraw/zinc/21/34/68/600213468.db2.gz FSSYUQHJBMMPFG-UHFFFAOYSA-N -1 0 339.269 3.686 20 0 EHADRM CN(Cc1ncc(-c2cccs2)o1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737495048 600213955 /nfs/dbraw/zinc/21/39/55/600213955.db2.gz FQZTZJQWENQMGR-MRXNPFEDSA-N -1 0 328.393 3.661 20 0 EHADRM C[C@H]1CCc2c(C(=O)N3C[C@@H](C(=O)[O-])c4ccccc43)csc2C1 ZINC000177468829 600215300 /nfs/dbraw/zinc/21/53/00/600215300.db2.gz BJBHFYUIYMQNGQ-SMDDNHRTSA-N -1 0 341.432 3.702 20 0 EHADRM Cc1ccc(-c2cc(CN(C)[C@H](C(=O)[O-])c3ccccc3)on2)cc1 ZINC000738487587 600215471 /nfs/dbraw/zinc/21/54/71/600215471.db2.gz BSJZSOISOQDNDV-IBGZPJMESA-N -1 0 336.391 3.908 20 0 EHADRM COC(=O)Nc1cccc(NC(=O)Nc2cccc(C(=O)[O-])c2C)c1 ZINC000737643027 600229131 /nfs/dbraw/zinc/22/91/31/600229131.db2.gz GPTPWVZHXDXUTC-UHFFFAOYSA-N -1 0 343.339 3.516 20 0 EHADRM O=C([O-])CCCCNC(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000666530691 600235601 /nfs/dbraw/zinc/23/56/01/600235601.db2.gz VZKZRVPBRITPEL-LBPRGKRZSA-N -1 0 345.226 3.535 20 0 EHADRM CCN(C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-])C(C)C ZINC000737059842 600237000 /nfs/dbraw/zinc/23/70/00/600237000.db2.gz IQVYPMPIEHKCEY-GOSISDBHSA-N -1 0 342.439 3.523 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N3CC[C@@H](c4ccco4)C3)c12 ZINC000649389092 600239146 /nfs/dbraw/zinc/23/91/46/600239146.db2.gz FKIQZMCZSJQEMJ-LLVKDONJSA-N -1 0 343.408 3.593 20 0 EHADRM O=C([O-])c1cccc(COC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)c1 ZINC000740221308 600239229 /nfs/dbraw/zinc/23/92/29/600239229.db2.gz OPCGLNLQMXBEGM-CHWSQXEVSA-N -1 0 332.302 3.510 20 0 EHADRM O=C([O-])c1cccc(COC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)c1 ZINC000740221312 600239263 /nfs/dbraw/zinc/23/92/63/600239263.db2.gz OPCGLNLQMXBEGM-QWHCGFSZSA-N -1 0 332.302 3.510 20 0 EHADRM CC(C)(NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)c1nccs1 ZINC000318596729 600239336 /nfs/dbraw/zinc/23/93/36/600239336.db2.gz GDSOOVVDGHTOEP-UHFFFAOYSA-N -1 0 339.804 3.552 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(C(=O)[O-])c2C)o1 ZINC000738581294 600240331 /nfs/dbraw/zinc/24/03/31/600240331.db2.gz DYBBCTFTHQQBFJ-HNNXBMFYSA-N -1 0 328.368 3.964 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc(Oc3nccs3)c2)cc1 ZINC000675954278 600245875 /nfs/dbraw/zinc/24/58/75/600245875.db2.gz RKDMSTNZPOZVEI-UHFFFAOYSA-N -1 0 340.360 3.886 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCc1cc(Cl)cs1 ZINC000262490227 600247165 /nfs/dbraw/zinc/24/71/65/600247165.db2.gz ZGATWQFIKADYHR-SWHYSGLUSA-N -1 0 341.860 3.578 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)c1cccc(Oc2nccs2)c1 ZINC000675968475 600247342 /nfs/dbraw/zinc/24/73/42/600247342.db2.gz QKZPAOKRGAFMLT-UHFFFAOYSA-N -1 0 348.424 3.508 20 0 EHADRM Cc1cc(NC(=O)c2cc(Cl)ccc2OC(C)C)c(C(=O)[O-])[nH]1 ZINC000738448171 600251809 /nfs/dbraw/zinc/25/18/09/600251809.db2.gz BOZUNSDGWALJRP-UHFFFAOYSA-N -1 0 336.775 3.714 20 0 EHADRM CC[C@@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC000392261378 600254459 /nfs/dbraw/zinc/25/44/59/600254459.db2.gz HVCOFTPLQQILKH-AYOQOUSVSA-N -1 0 339.435 3.628 20 0 EHADRM Cc1cc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)c(C(=O)[O-])[nH]1 ZINC000738444356 600256960 /nfs/dbraw/zinc/25/69/60/600256960.db2.gz NSAIZBFDHJUQGQ-UHFFFAOYSA-N -1 0 345.742 3.582 20 0 EHADRM Cc1cc(NC(=O)c2ccc3c(c2)-c2ccccc2C3)c(C(=O)[O-])[nH]1 ZINC000738452094 600257770 /nfs/dbraw/zinc/25/77/70/600257770.db2.gz UFXMMFJKJLVEAQ-UHFFFAOYSA-N -1 0 332.359 3.845 20 0 EHADRM CCO[C@@H](C)c1nc(CN2CCCc3c(C(=O)[O-])cccc32)cs1 ZINC000643054984 600260473 /nfs/dbraw/zinc/26/04/73/600260473.db2.gz OYSXVNFIATXYTC-LBPRGKRZSA-N -1 0 346.452 3.892 20 0 EHADRM O=C([O-])CCCCNC(=O)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000666530555 600265580 /nfs/dbraw/zinc/26/55/80/600265580.db2.gz NSMABRWDIXOHOQ-HNNXBMFYSA-N -1 0 346.452 3.586 20 0 EHADRM Cc1oc(COC(=O)c2cc3c(ccc(C)c3C)[nH]2)cc1C(=O)[O-] ZINC000738667843 600268552 /nfs/dbraw/zinc/26/85/52/600268552.db2.gz UQZFAPFOZKDURO-UHFFFAOYSA-N -1 0 327.336 3.741 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)OCc1ccc(Oc2ccccc2F)c(F)c1 ZINC000739555669 600270006 /nfs/dbraw/zinc/27/00/06/600270006.db2.gz FIHQGVLYRKDZMD-NEPJUHHUSA-N -1 0 348.301 3.521 20 0 EHADRM Cc1c(NC(=O)N[C@H](Cc2ccccc2)C2CC2)cccc1C(=O)[O-] ZINC000738302592 600275288 /nfs/dbraw/zinc/27/52/88/600275288.db2.gz AAWBMZTUYGWRMU-GOSISDBHSA-N -1 0 338.407 3.836 20 0 EHADRM Cn1c(CSc2nc3ccc(C(=O)[O-])cc3o2)nc2ccccc21 ZINC000739013918 600275782 /nfs/dbraw/zinc/27/57/82/600275782.db2.gz JFALVFJNFLOODP-UHFFFAOYSA-N -1 0 339.376 3.705 20 0 EHADRM COC(=O)c1ccc2nc(SCc3ccc(C(=O)[O-])cc3)oc2c1 ZINC000737708575 600276601 /nfs/dbraw/zinc/27/66/01/600276601.db2.gz NMKOHDMSPVRMLP-UHFFFAOYSA-N -1 0 343.360 3.605 20 0 EHADRM COc1ccccc1NC(=S)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000738138407 600279962 /nfs/dbraw/zinc/27/99/62/600279962.db2.gz WTDDEIFHAIDLDB-UHFFFAOYSA-N -1 0 345.424 3.614 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)NCc2cc(F)ccc2F)c1 ZINC000322407039 600280501 /nfs/dbraw/zinc/28/05/01/600280501.db2.gz XLIPUWJPYCTPRU-UHFFFAOYSA-N -1 0 340.713 3.638 20 0 EHADRM O=C([O-])NCc1ccc(NC(=S)Nc2ccccc2Cl)cc1 ZINC000739992565 600280803 /nfs/dbraw/zinc/28/08/03/600280803.db2.gz PHPZGLMMNPJBFL-UHFFFAOYSA-N -1 0 335.816 3.917 20 0 EHADRM Cc1cccc(OCCNC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000325415390 600281883 /nfs/dbraw/zinc/28/18/83/600281883.db2.gz MBQIXFISIDNRDB-UHFFFAOYSA-N -1 0 348.786 3.547 20 0 EHADRM CN(Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1)C(=O)[O-] ZINC000737477604 600283599 /nfs/dbraw/zinc/28/35/99/600283599.db2.gz IIFWDQYGTIEIBK-SJORKVTESA-N -1 0 342.370 3.678 20 0 EHADRM CN(Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1)C(=O)[O-] ZINC000737477601 600283632 /nfs/dbraw/zinc/28/36/32/600283632.db2.gz IIFWDQYGTIEIBK-IAGOWNOFSA-N -1 0 342.370 3.678 20 0 EHADRM Cc1cc([C@@H]2CCCN2C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)on1 ZINC000738379634 600283708 /nfs/dbraw/zinc/28/37/08/600283708.db2.gz OLESRGYFNNJKDW-ZDUSSCGKSA-N -1 0 349.774 3.704 20 0 EHADRM CSc1ccccc1C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000738215188 600288268 /nfs/dbraw/zinc/28/82/68/600288268.db2.gz UIMUSDCNVADDEI-UHFFFAOYSA-N -1 0 330.409 3.771 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)C2(c3cccc(Cl)c3)CC2)cc1 ZINC000739984443 600292023 /nfs/dbraw/zinc/29/20/23/600292023.db2.gz FWJUJSHTIMWJHM-UHFFFAOYSA-N -1 0 344.798 3.778 20 0 EHADRM C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736708129 600292634 /nfs/dbraw/zinc/29/26/34/600292634.db2.gz PVAQYPZCOPYCKF-NSHDSACASA-N -1 0 348.786 3.514 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)NCCCCCC(=O)[O-] ZINC000414607252 600292674 /nfs/dbraw/zinc/29/26/74/600292674.db2.gz GTMVUFHBRWJOID-CYBMUJFWSA-N -1 0 340.851 3.557 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)CCSc2ccccc2)cc1 ZINC000739983423 600293057 /nfs/dbraw/zinc/29/30/57/600293057.db2.gz BACWTQAQOSIVRT-UHFFFAOYSA-N -1 0 330.409 3.575 20 0 EHADRM CC(C)COc1ccccc1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736449098 600293686 /nfs/dbraw/zinc/29/36/86/600293686.db2.gz ZPKFXDOQEWZIPF-UHFFFAOYSA-N -1 0 342.395 3.741 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)C[C@@H]2CCc3ccccc3C2)cc1 ZINC000739987061 600294425 /nfs/dbraw/zinc/29/44/25/600294425.db2.gz UBYVWRZSRCTOEH-OAHLLOKOSA-N -1 0 338.407 3.588 20 0 EHADRM Cc1ccc(CCCC(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000738589815 600296261 /nfs/dbraw/zinc/29/62/61/600296261.db2.gz XFYUIXLVHREJPB-UHFFFAOYSA-N -1 0 326.396 3.724 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(C(=O)Nc1cc(Cl)ccc1Cl)CC2 ZINC000405485401 600316429 /nfs/dbraw/zinc/31/64/29/600316429.db2.gz LQWNKPUDPQSSTC-JTQLQIEISA-N -1 0 343.210 3.712 20 0 EHADRM CC[C@H]1CN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C[C@@H](C)O1 ZINC000736944339 600331751 /nfs/dbraw/zinc/33/17/51/600331751.db2.gz SAUGFGKCOKNUCV-WBMJQRKESA-N -1 0 346.452 3.508 20 0 EHADRM CN(Cc1ccc(NC(=O)Nc2c(F)cccc2F)cc1)C(=O)[O-] ZINC000737480719 600334128 /nfs/dbraw/zinc/33/41/28/600334128.db2.gz QZFGRMUTTYISGV-UHFFFAOYSA-N -1 0 335.310 3.719 20 0 EHADRM CCCCOc1cccc(NC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC000736999871 600336360 /nfs/dbraw/zinc/33/63/60/600336360.db2.gz LKDIELLRVQBBNX-MRXNPFEDSA-N -1 0 346.427 3.584 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(F)c(NC(=O)[O-])c1)Oc1ccccc1 ZINC000736598154 600338334 /nfs/dbraw/zinc/33/83/34/600338334.db2.gz IQCUMCTWUKILKS-LLVKDONJSA-N -1 0 347.346 3.505 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccccc1 ZINC000736914506 600350266 /nfs/dbraw/zinc/35/02/66/600350266.db2.gz UFYPUVTZFQQXLM-MRXNPFEDSA-N -1 0 327.384 3.727 20 0 EHADRM CC(C)(C(=O)Oc1cccc(CC(=O)[O-])c1)c1cccc(Cl)c1 ZINC000736231384 600352614 /nfs/dbraw/zinc/35/26/14/600352614.db2.gz CUFFLDGTIGCILX-UHFFFAOYSA-N -1 0 332.783 3.850 20 0 EHADRM Cc1ccccc1[C@H](C)NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000738759480 600357218 /nfs/dbraw/zinc/35/72/18/600357218.db2.gz YXYXAKFGFZYHPA-ZDUSSCGKSA-N -1 0 327.384 3.645 20 0 EHADRM O=C([O-])c1ccc(CCc2nc(-c3nccc4ccccc43)no2)cc1 ZINC000740123230 600361912 /nfs/dbraw/zinc/36/19/12/600361912.db2.gz COYFYJXPMUVSKW-UHFFFAOYSA-N -1 0 345.358 3.768 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=S)Nc2cccc(Cl)c2)cc1 ZINC000740019685 600366549 /nfs/dbraw/zinc/36/65/49/600366549.db2.gz GRPUTVIZPPHFAL-UHFFFAOYSA-N -1 0 349.843 3.959 20 0 EHADRM Cc1cc(NC(=O)C[C@@H]2CCOc3ccccc32)sc1C(=O)[O-] ZINC000738232641 600371737 /nfs/dbraw/zinc/37/17/37/600371737.db2.gz WSNQARFQBAIDIH-NSHDSACASA-N -1 0 331.393 3.650 20 0 EHADRM Cc1cc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])sc1C(=O)[O-] ZINC000316338837 600372562 /nfs/dbraw/zinc/37/25/62/600372562.db2.gz ZWLXLZRLEUFZKM-UHFFFAOYSA-N -1 0 340.744 3.569 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)c1cccs1 ZINC000236631179 600376349 /nfs/dbraw/zinc/37/63/49/600376349.db2.gz PQLIJCAROLYKOB-LLVKDONJSA-N -1 0 333.409 3.976 20 0 EHADRM Cc1sc2nc(S[C@@H](C(=O)[O-])c3ccccc3)nc(N)c2c1C ZINC000045316972 600377036 /nfs/dbraw/zinc/37/70/36/600377036.db2.gz QLZZOGBSALVRQZ-GFCCVEGCSA-N -1 0 345.449 3.808 20 0 EHADRM C[C@H]1CCC[C@@H](Sc2nc3ccccc3c(=O)n2CCC(=O)[O-])C1 ZINC000736777444 600377757 /nfs/dbraw/zinc/37/77/57/600377757.db2.gz CJYQFHYNNWVDPP-QWHCGFSZSA-N -1 0 346.452 3.542 20 0 EHADRM C[C@@H]1CCC[C@@H](Sc2nc3ccccc3c(=O)n2CCC(=O)[O-])C1 ZINC000736777441 600377793 /nfs/dbraw/zinc/37/77/93/600377793.db2.gz CJYQFHYNNWVDPP-CHWSQXEVSA-N -1 0 346.452 3.542 20 0 EHADRM O=C([O-])[C@H](Sc1nncn1-c1ccccc1)c1cccc(Cl)c1 ZINC000739513285 600378317 /nfs/dbraw/zinc/37/83/17/600378317.db2.gz RZLIALAVLGREGV-CQSZACIVSA-N -1 0 345.811 3.839 20 0 EHADRM CC(C)(C)c1n[nH]c(S[C@@H](C(=O)[O-])c2cccc(Cl)c2)n1 ZINC000736306876 600378642 /nfs/dbraw/zinc/37/86/42/600378642.db2.gz LUYUEHQUYLOOPZ-SNVBAGLBSA-N -1 0 325.821 3.674 20 0 EHADRM CCc1ccccc1OCC(=O)N(c1ccccc1)[C@H](CC)C(=O)[O-] ZINC000737274009 600379038 /nfs/dbraw/zinc/37/90/38/600379038.db2.gz GHIFEIORQKJXQQ-QGZVFWFLSA-N -1 0 341.407 3.524 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000236735542 600379067 /nfs/dbraw/zinc/37/90/67/600379067.db2.gz BHBYWQCWXNKCGJ-GFCCVEGCSA-N -1 0 345.361 3.911 20 0 EHADRM O=C([O-])[C@@H](Sc1nnc(Cc2cccc(F)c2)o1)c1ccccc1 ZINC000738526829 600379183 /nfs/dbraw/zinc/37/91/83/600379183.db2.gz WWUZWNPTKMNBHS-HNNXBMFYSA-N -1 0 344.367 3.718 20 0 EHADRM O=C([O-])[C@@H](Sc1nnc(Cc2ccccc2F)o1)c1ccccc1 ZINC000738523202 600379228 /nfs/dbraw/zinc/37/92/28/600379228.db2.gz AGRGVQARDMNTRO-HNNXBMFYSA-N -1 0 344.367 3.718 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000236692017 600379271 /nfs/dbraw/zinc/37/92/71/600379271.db2.gz AZVGRKJKIUCQKN-ZDUSSCGKSA-N -1 0 329.396 3.911 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000236742543 600379407 /nfs/dbraw/zinc/37/94/07/600379407.db2.gz GTWIIWUQYMURSZ-LBPRGKRZSA-N -1 0 345.361 3.596 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)CCCc1ccccc1)c1ccccc1 ZINC000736850687 600379406 /nfs/dbraw/zinc/37/94/06/600379406.db2.gz XZQWQVFZCXCZNX-SFHVURJKSA-N -1 0 325.408 3.906 20 0 EHADRM O=C([O-])[C@@H](Sc1n[nH]c(C=Cc2ccccc2)n1)c1ccccc1 ZINC000739511250 600379387 /nfs/dbraw/zinc/37/93/87/600379387.db2.gz FYJURBUKMUQXFJ-PCUGXKRQSA-N -1 0 337.404 3.893 20 0 EHADRM O=C([O-])c1cc(NC(=O)NC[C@H]2CCc3ccccc32)c(F)cc1F ZINC000739415842 600379455 /nfs/dbraw/zinc/37/94/55/600379455.db2.gz WEXHDOMCPVGDFQ-LLVKDONJSA-N -1 0 346.333 3.515 20 0 EHADRM C[C@H](CC(=O)N[C@](C)(C(=O)[O-])C1CC1)c1cccc(C(F)(F)F)c1 ZINC000237388905 600379890 /nfs/dbraw/zinc/37/98/90/600379890.db2.gz NWKWALWDAUYPSS-HWPZZCPQSA-N -1 0 343.345 3.569 20 0 EHADRM CCOc1ccc([C@H](C)NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000737195435 600381948 /nfs/dbraw/zinc/38/19/48/600381948.db2.gz NXAVNNAJVGIWTL-NSHDSACASA-N -1 0 346.358 3.805 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)/C=C\c1ccnc2ccccc12 ZINC000739215440 600382076 /nfs/dbraw/zinc/38/20/76/600382076.db2.gz JOTPTZQUNBHNDF-YVMONPNESA-N -1 0 336.322 3.724 20 0 EHADRM C[C@@H](CN(C(=O)c1ccc(OC2CCCCC2)cc1)C1CC1)C(=O)[O-] ZINC000237470964 600382767 /nfs/dbraw/zinc/38/27/67/600382767.db2.gz LUXYWLISRVZMFC-AWEZNQCLSA-N -1 0 345.439 3.723 20 0 EHADRM Cc1cc(NC(=O)C[C@@H]2CCOc3ccccc32)ccc1C(=O)[O-] ZINC000237806790 600383011 /nfs/dbraw/zinc/38/30/11/600383011.db2.gz MTYIAWFMXHFOGA-ZDUSSCGKSA-N -1 0 325.364 3.588 20 0 EHADRM Cc1cc(C(=O)[O-])c2sc(NC(=O)/C=C\C3CCCCC3)nc2n1 ZINC000738343700 600384235 /nfs/dbraw/zinc/38/42/35/600384235.db2.gz UNCMWMXDAFQRRJ-FPLPWBNLSA-N -1 0 345.424 3.773 20 0 EHADRM O=C([O-])c1cc(NC(=O)NCCSCc2ccccc2)ccc1F ZINC000739429646 600384724 /nfs/dbraw/zinc/38/47/24/600384724.db2.gz WXXRRPQQYWVPJZ-UHFFFAOYSA-N -1 0 348.399 3.579 20 0 EHADRM CCC(=CC(=O)NCCc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000736835400 600385748 /nfs/dbraw/zinc/38/57/48/600385748.db2.gz LXQVVXSUFXKATL-JQIJEIRASA-N -1 0 338.407 3.929 20 0 EHADRM CCc1nc(C)c(C(=O)N(c2ccccc2)[C@@H](CC)C(=O)[O-])s1 ZINC000737277465 600386200 /nfs/dbraw/zinc/38/62/00/600386200.db2.gz WOGBXNOIAQKTKG-ZDUSSCGKSA-N -1 0 332.425 3.524 20 0 EHADRM CC[C@H](C(=O)NCCc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000736846855 600386955 /nfs/dbraw/zinc/38/69/55/600386955.db2.gz IHCGSFFYPVJCAU-KRWDZBQOSA-N -1 0 326.396 3.629 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)Cc1cc(C)ccc1C)c1ccccc1 ZINC000736850509 600387224 /nfs/dbraw/zinc/38/72/24/600387224.db2.gz AIRLAENDNAKMPL-GOSISDBHSA-N -1 0 325.408 3.742 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)c2cccc(-n3cccc3)c2)cc1 ZINC000740019667 600387383 /nfs/dbraw/zinc/38/73/83/600387383.db2.gz GGFLDZYLNYSLCX-UHFFFAOYSA-N -1 0 349.390 3.540 20 0 EHADRM CCCSCC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000236834565 600391370 /nfs/dbraw/zinc/39/13/70/600391370.db2.gz UYPUFFSASLHGMU-HNNXBMFYSA-N -1 0 337.485 3.759 20 0 EHADRM C[C@@H](CCNC(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000392109778 600400752 /nfs/dbraw/zinc/40/07/52/600400752.db2.gz PZUACZHBLWBCKZ-LBPRGKRZSA-N -1 0 330.359 3.839 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)CCOc1ccc(Cl)c(Cl)c1 ZINC000236824422 600415847 /nfs/dbraw/zinc/41/58/47/600415847.db2.gz AFLUFXNKVYQTME-UHFFFAOYSA-N -1 0 348.226 3.522 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000236839207 600417035 /nfs/dbraw/zinc/41/70/35/600417035.db2.gz LGWKTXYQLFSDNZ-IRXDYDNUSA-N -1 0 325.408 3.703 20 0 EHADRM C[C@@H](OC(=O)c1cccc(C(=O)[O-])c1)c1nc2cc(Cl)ccc2[nH]1 ZINC000736696467 600422507 /nfs/dbraw/zinc/42/25/07/600422507.db2.gz IXUKBWAZCHZKSA-SECBINFHSA-N -1 0 344.754 3.833 20 0 EHADRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])cc1)c1nc2cc(Cl)ccc2[nH]1 ZINC000736690160 600422534 /nfs/dbraw/zinc/42/25/34/600422534.db2.gz MIXKEXQNSGDICX-SECBINFHSA-N -1 0 344.754 3.833 20 0 EHADRM O=C([O-])[C@H](Nc1ccc(OC(F)F)c(F)c1)c1ccc(F)cc1 ZINC000739512097 600426320 /nfs/dbraw/zinc/42/63/20/600426320.db2.gz LVXAAOKPNPXQQA-CYBMUJFWSA-N -1 0 329.249 3.804 20 0 EHADRM CC(C)[C@@H](Sc1ccccc1)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC000736390227 600427632 /nfs/dbraw/zinc/42/76/32/600427632.db2.gz IHWULQXRFPXLSG-OAHLLOKOSA-N -1 0 330.409 3.535 20 0 EHADRM CC(=O)N(C)c1ccc(N[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000736123760 600430084 /nfs/dbraw/zinc/43/00/84/600430084.db2.gz ODETXYBTRYLLMM-MRXNPFEDSA-N -1 0 332.787 3.561 20 0 EHADRM Cc1cc(COC(=O)C[C@@H]2CCc3ccccc3C2)oc1C(=O)[O-] ZINC000738393270 600436718 /nfs/dbraw/zinc/43/67/18/600436718.db2.gz VCPXIAPZRZPVNE-CYBMUJFWSA-N -1 0 328.364 3.525 20 0 EHADRM C[C@H](NC(=O)NCCCCCC(=O)[O-])c1cccc(Cl)c1Cl ZINC000414624253 600440994 /nfs/dbraw/zinc/44/09/94/600440994.db2.gz IRSSTRYFBJIZHU-JTQLQIEISA-N -1 0 347.242 3.999 20 0 EHADRM CC(C)c1cccc(OCC(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000736521212 600450822 /nfs/dbraw/zinc/45/08/22/600450822.db2.gz MIOOJBWYXYRETP-GOSISDBHSA-N -1 0 346.354 3.697 20 0 EHADRM Cc1ccc(C(=O)C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])cc1 ZINC000738504243 600451142 /nfs/dbraw/zinc/45/11/42/600451142.db2.gz VQTINFRSSMPZIU-UHFFFAOYSA-N -1 0 345.420 3.874 20 0 EHADRM Cc1ccc2c(c1)[nH]cc2C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738667220 600452852 /nfs/dbraw/zinc/45/28/52/600452852.db2.gz GSCKELDNLWNSFP-INIZCTEOSA-N -1 0 327.311 3.598 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)Nc2cccnc2)cc1 ZINC000736297702 600454969 /nfs/dbraw/zinc/45/49/69/600454969.db2.gz UBEWFZBVOIDBDZ-INIZCTEOSA-N -1 0 341.411 3.717 20 0 EHADRM CC/C(=C\C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000736833300 600455550 /nfs/dbraw/zinc/45/55/50/600455550.db2.gz BGOOUZMNKGXGKH-QFQMRYFISA-N -1 0 328.339 3.988 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)N2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000738612636 600455702 /nfs/dbraw/zinc/45/57/02/600455702.db2.gz ORRCCZFHTPPMQQ-IBGZPJMESA-N -1 0 344.411 3.504 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)Nc2nc3ccsc3s2)cc1 ZINC000739991678 600466160 /nfs/dbraw/zinc/46/61/60/600466160.db2.gz LKPZKBJMGWXCRC-UHFFFAOYSA-N -1 0 348.409 3.769 20 0 EHADRM O=C([O-])[C@H](OC(=O)CC/C=C/c1ccccc1)c1ccc(F)cc1 ZINC000739235428 600466174 /nfs/dbraw/zinc/46/61/74/600466174.db2.gz JSDQCRXJGJZLCC-SBLNNXNXSA-N -1 0 328.339 3.988 20 0 EHADRM O=C([O-])c1ccc(-c2noc(C[C@H]3CCOc4ccccc43)n2)cc1 ZINC000740101949 600473165 /nfs/dbraw/zinc/47/31/65/600473165.db2.gz ZGKOISKCIHRRMJ-CQSZACIVSA-N -1 0 336.347 3.544 20 0 EHADRM COc1ccc(NC(=S)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000738038899 600473762 /nfs/dbraw/zinc/47/37/62/600473762.db2.gz JXMLQKGGVQYCOR-UHFFFAOYSA-N -1 0 336.800 3.856 20 0 EHADRM CC[C@H](c1ccncc1)N(C)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000736930405 600475236 /nfs/dbraw/zinc/47/52/36/600475236.db2.gz VJERMDRCUSIQSQ-OAHLLOKOSA-N -1 0 331.347 3.534 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccccc2OC2CCC2)c(F)cc1F ZINC000740087635 600475374 /nfs/dbraw/zinc/47/53/74/600475374.db2.gz FFMQBCDLFXCMPR-UHFFFAOYSA-N -1 0 347.317 3.847 20 0 EHADRM C[C@H]1c2ccc(F)cc2CCN1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000736840478 600475606 /nfs/dbraw/zinc/47/56/06/600475606.db2.gz MRPHRIPKDQNABR-JTQLQIEISA-N -1 0 346.333 3.814 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000736904849 600478904 /nfs/dbraw/zinc/47/89/04/600478904.db2.gz ZKEFKSOFXFTYDV-MRXNPFEDSA-N -1 0 341.407 3.666 20 0 EHADRM CN(C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)C(C)(C)C(=O)[O-] ZINC000362336550 600479307 /nfs/dbraw/zinc/47/93/07/600479307.db2.gz WXPGRGLFZNVLFG-UHFFFAOYSA-N -1 0 349.333 3.692 20 0 EHADRM Cc1ncc(/C=C\C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])s1 ZINC000738883976 600479341 /nfs/dbraw/zinc/47/93/41/600479341.db2.gz UVWFSVLEGMHGFA-ALCCZGGFSA-N -1 0 330.409 3.925 20 0 EHADRM CC[C@H](C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1c(C)noc1C ZINC000736846278 600480643 /nfs/dbraw/zinc/48/06/43/600480643.db2.gz FIKFMXUHQACYHH-NSHDSACASA-N -1 0 336.775 3.775 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)/C=C/c2ccsc2)cc1 ZINC000492362235 600482539 /nfs/dbraw/zinc/48/25/39/600482539.db2.gz DARDTRACJPYNTD-FPYGCLRLSA-N -1 0 331.393 3.644 20 0 EHADRM Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1cccc(C(=O)[O-])n1 ZINC000738759403 600483585 /nfs/dbraw/zinc/48/35/85/600483585.db2.gz XMMNGOADINFZCM-QGZVFWFLSA-N -1 0 326.396 3.605 20 0 EHADRM CNc1cc(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])cc(Cl)n1 ZINC000737561441 600484940 /nfs/dbraw/zinc/48/49/40/600484940.db2.gz FEMVGKSAGLLZOB-UHFFFAOYSA-N -1 0 347.802 3.851 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2nccc3ccccc32)cc1Cl ZINC000238185433 600486307 /nfs/dbraw/zinc/48/63/07/600486307.db2.gz DLUSTUCHBQEOFV-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)NC2CCC(C(=O)[O-])CC2)C1 ZINC000263477454 600495536 /nfs/dbraw/zinc/49/55/36/600495536.db2.gz MZKWUQRJFPLCDX-KZYLPZIUSA-N -1 0 344.455 3.526 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2cc3c(ccc4ccccc34)[nH]2)o1 ZINC000431518089 600496278 /nfs/dbraw/zinc/49/62/78/600496278.db2.gz GYFOZFWZYJEPND-UHFFFAOYSA-N -1 0 334.331 3.542 20 0 EHADRM C[C@H]1CCC[C@@H](N(C)C(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000736776449 600498571 /nfs/dbraw/zinc/49/85/71/600498571.db2.gz QYUQTLIGKHNPBP-XJKSGUPXSA-N -1 0 333.432 3.539 20 0 EHADRM C[C@H]1CN(C(=O)NCCc2ccc(NC(=O)[O-])cc2)c2ccccc21 ZINC000736812135 600499938 /nfs/dbraw/zinc/49/99/38/600499938.db2.gz QLCJTMPEDNXJRC-ZDUSSCGKSA-N -1 0 339.395 3.652 20 0 EHADRM C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000736724410 600510818 /nfs/dbraw/zinc/51/08/18/600510818.db2.gz MFFYYANLNVXHCJ-JTQLQIEISA-N -1 0 333.775 3.658 20 0 EHADRM CC(C)CO[C@H]1C[C@@H](OC(=O)c2ccc(NC(=O)[O-])cc2)C1(C)C ZINC000736445190 600511488 /nfs/dbraw/zinc/51/14/88/600511488.db2.gz ZEJZRTNIJJADQV-LSDHHAIUSA-N -1 0 335.400 3.773 20 0 EHADRM Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)OC(=O)CN(C)C(=O)[O-] ZINC000738493267 600511985 /nfs/dbraw/zinc/51/19/85/600511985.db2.gz PBPCCRZCSRMZSO-GFCCVEGCSA-N -1 0 348.424 3.641 20 0 EHADRM CCN(C(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccccc1C(=O)[O-] ZINC000737049894 600523069 /nfs/dbraw/zinc/52/30/69/600523069.db2.gz JMUYMKBAHVLDDZ-LBPRGKRZSA-N -1 0 347.798 3.859 20 0 EHADRM CCN(C(=O)c1ccc(Cl)cc1OC)c1ccccc1C(=O)[O-] ZINC000737058875 600523612 /nfs/dbraw/zinc/52/36/12/600523612.db2.gz BSAYQVGOWNZDHI-UHFFFAOYSA-N -1 0 333.771 3.714 20 0 EHADRM CC[C@@H](NC(=O)NCc1ccc(C(=O)[O-])o1)c1cccc(Cl)c1 ZINC000736914307 600529229 /nfs/dbraw/zinc/52/92/29/600529229.db2.gz OPWNXJGSBBPQDV-CYBMUJFWSA-N -1 0 336.775 3.582 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)NCc1ccc(C(=O)[O-])o1 ZINC000738285494 600530154 /nfs/dbraw/zinc/53/01/54/600530154.db2.gz FKMRHSCTUVPOOZ-LLVKDONJSA-N -1 0 342.351 3.593 20 0 EHADRM CCN(C(=O)CCCOc1cccc(F)c1)c1ccccc1C(=O)[O-] ZINC000737053078 600531586 /nfs/dbraw/zinc/53/15/86/600531586.db2.gz PYWSUXVXOPORIO-UHFFFAOYSA-N -1 0 345.370 3.736 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)CO[C@@H]1CCC[C@@H](C)C1 ZINC000531748756 600534388 /nfs/dbraw/zinc/53/43/88/600534388.db2.gz AQFSPMHHEKFJRA-UKRRQHHQSA-N -1 0 349.427 3.706 20 0 EHADRM COc1ccccc1CC(C)(C)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000237136948 600534750 /nfs/dbraw/zinc/53/47/50/600534750.db2.gz FPXXKGKACPDHTA-UHFFFAOYSA-N -1 0 341.407 3.909 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)Nc2ccc(Cl)c3ncccc23)o1 ZINC000739437696 600541285 /nfs/dbraw/zinc/54/12/85/600541285.db2.gz LTXFEBYKLQHZNP-UHFFFAOYSA-N -1 0 345.742 3.501 20 0 EHADRM C[C@H](NC(=O)NCCCCCCC(=O)[O-])c1nc2ccccc2s1 ZINC000736648501 600544748 /nfs/dbraw/zinc/54/47/48/600544748.db2.gz ZGZSJZGOJANOJP-LBPRGKRZSA-N -1 0 349.456 3.692 20 0 EHADRM COc1ccccc1CC(C)(C)C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC000738125051 600546442 /nfs/dbraw/zinc/54/64/42/600546442.db2.gz YDGFVHYFLDOQOL-UHFFFAOYSA-N -1 0 342.391 3.706 20 0 EHADRM CCc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(C(=O)[O-])nc2)o1 ZINC000236971953 600550793 /nfs/dbraw/zinc/55/07/93/600550793.db2.gz UBQJHEGJXVRRMU-INIZCTEOSA-N -1 0 342.395 3.693 20 0 EHADRM CC(C)Cn1cc(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)c2ccccc21 ZINC000675987222 600553828 /nfs/dbraw/zinc/55/38/28/600553828.db2.gz TXRBTQYVFLXGRX-MRXNPFEDSA-N -1 0 330.428 3.526 20 0 EHADRM CC(C)[C@H](C)C(=O)N(C)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000736350475 600555013 /nfs/dbraw/zinc/55/50/13/600555013.db2.gz YALVWEMYSQXCQT-ZANVPECISA-N -1 0 332.227 3.870 20 0 EHADRM CCC(CC)[C@@H](NC(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000263012290 600560510 /nfs/dbraw/zinc/56/05/10/600560510.db2.gz NTOACOUMPANRJV-QGZVFWFLSA-N -1 0 332.444 3.670 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N(CCC(=O)[O-])C(C)C ZINC000736930118 600560511 /nfs/dbraw/zinc/56/05/11/600560511.db2.gz WJPNPIJYEHDNJP-MRXNPFEDSA-N -1 0 335.444 3.679 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1cc2c(cccc2Cl)s1 ZINC000736464549 600561939 /nfs/dbraw/zinc/56/19/39/600561939.db2.gz CRIZTTATAUQJOQ-UHFFFAOYSA-N -1 0 325.817 3.880 20 0 EHADRM CCCc1c(C(=O)Nc2ccc3[nH]ccc3c2)[nH]c(C)c1C(=O)[O-] ZINC000737042375 600567836 /nfs/dbraw/zinc/56/78/36/600567836.db2.gz BNVGSBBNMKRFPZ-UHFFFAOYSA-N -1 0 325.368 3.707 20 0 EHADRM CC(C)(CNC(=O)c1ccccc1NC(=O)[O-])c1ccccc1F ZINC000736323852 600575572 /nfs/dbraw/zinc/57/55/72/600575572.db2.gz MVNAINHKRGWFOU-UHFFFAOYSA-N -1 0 330.359 3.623 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)NCC1(c2ccc(F)cc2)CCC1 ZINC000740046239 600576343 /nfs/dbraw/zinc/57/63/43/600576343.db2.gz NLCVKCXCWNNYLW-UHFFFAOYSA-N -1 0 342.370 3.767 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)Nc1ccc(OC2CCCC2)nc1 ZINC000740056374 600577913 /nfs/dbraw/zinc/57/79/13/600577913.db2.gz OAYODQXYOGFVJM-UHFFFAOYSA-N -1 0 341.367 3.745 20 0 EHADRM COc1c(C)cnc(CSc2nc3ccc(C(=O)[O-])cc3o2)c1C ZINC000737839460 600581989 /nfs/dbraw/zinc/58/19/89/600581989.db2.gz HVCDMUUAYTXETJ-UHFFFAOYSA-N -1 0 344.392 3.839 20 0 EHADRM CC(C)[C@@H](S[C@H](C)CC(=O)[O-])C(=O)Nc1cccc2ncccc21 ZINC000736549875 600583523 /nfs/dbraw/zinc/58/35/23/600583523.db2.gz LRAPPHSWZDKYBJ-SJKOYZFVSA-N -1 0 346.452 3.794 20 0 EHADRM CC(C)N(C)c1cccc(NC(=O)c2ccccc2NC(=O)[O-])c1 ZINC000736458055 600590309 /nfs/dbraw/zinc/59/03/09/600590309.db2.gz WBSLLJISCCMUSQ-UHFFFAOYSA-N -1 0 327.384 3.873 20 0 EHADRM CCCCc1ccc(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000737001091 600590343 /nfs/dbraw/zinc/59/03/43/600590343.db2.gz LBZMXQMKSHKIBV-SFHVURJKSA-N -1 0 325.408 3.927 20 0 EHADRM CN(C(=O)c1cc2c(cccc2F)s1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737333098 600595516 /nfs/dbraw/zinc/59/55/16/600595516.db2.gz HJMIZHAGPGXAKV-INIZCTEOSA-N -1 0 343.379 3.938 20 0 EHADRM CN(C(=O)c1cc2ccc(F)cc2s1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737336985 600595687 /nfs/dbraw/zinc/59/56/87/600595687.db2.gz RPOKQQSEEKORTI-INIZCTEOSA-N -1 0 343.379 3.938 20 0 EHADRM C/C(=C\C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1)c1cccc(F)c1 ZINC000736118905 600595968 /nfs/dbraw/zinc/59/59/68/600595968.db2.gz ZAXWDFTXBFKULC-YLZCUGDYSA-N -1 0 327.355 3.513 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000736618076 600597848 /nfs/dbraw/zinc/59/78/48/600597848.db2.gz LWRHHWDSTWONNG-YOEHRIQHSA-N -1 0 343.448 3.699 20 0 EHADRM CC[C@@](C)(NCc1cc(C)c(OCC(=O)[O-])c(C)c1)c1nccs1 ZINC000736864340 600599689 /nfs/dbraw/zinc/59/96/89/600599689.db2.gz VYAIVDRTCSVJEP-GOSISDBHSA-N -1 0 348.468 3.638 20 0 EHADRM CC(C)[C@@H](SC[C@@H](C)C(=O)[O-])C(=O)NC1CCCCCCC1 ZINC000736606791 600600309 /nfs/dbraw/zinc/60/03/09/600600309.db2.gz IIGWBKICOUGWIR-UKRRQHHQSA-N -1 0 329.506 3.694 20 0 EHADRM CN(C(=O)/C=C\c1ccccc1Cl)[C@H](C(=O)[O-])c1ccccc1 ZINC000737313201 600600741 /nfs/dbraw/zinc/60/07/41/600600741.db2.gz IQFOVFGXUKQJEL-CPFIRTDXSA-N -1 0 329.783 3.638 20 0 EHADRM C[C@@H](CSCC[S@](=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000736614161 600605028 /nfs/dbraw/zinc/60/50/28/600605028.db2.gz SYUVBLKTXBITJA-RLBGWGEZSA-N -1 0 341.281 3.555 20 0 EHADRM CC/C=C(\C)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)[O-] ZINC000736950152 600607589 /nfs/dbraw/zinc/60/75/89/600607589.db2.gz NRFMYLPZYWZPJK-NYYWCZLTSA-N -1 0 344.238 3.805 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C[C@H]1CCc2ccccc21)c1cccs1 ZINC000675950420 600607659 /nfs/dbraw/zinc/60/76/59/600607659.db2.gz HNOMNEFKXJCATP-HIFRSBDPSA-N -1 0 329.421 3.500 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)C[C@@H]1CCc2ccccc21)c1ccccc1 ZINC000139391567 600609179 /nfs/dbraw/zinc/60/91/79/600609179.db2.gz WUBCDYXMROWAQX-HKUYNNGSSA-N -1 0 337.419 3.829 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)C[C@@H]2CCc3ccccc32)ccc1F ZINC000740007653 600609615 /nfs/dbraw/zinc/60/96/15/600609615.db2.gz YMBCSHWSHIWPHU-LBPRGKRZSA-N -1 0 328.343 3.974 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1coc2ccccc12)c1ccc(F)cc1 ZINC000362440061 600617541 /nfs/dbraw/zinc/61/75/41/600617541.db2.gz LUPOUENGYICTCI-OAHLLOKOSA-N -1 0 327.311 3.518 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccccc2N2CCCCC2)c(F)c1 ZINC000740157128 600618411 /nfs/dbraw/zinc/61/84/11/600618411.db2.gz MOMYSQVWORKAOU-UHFFFAOYSA-N -1 0 342.370 3.767 20 0 EHADRM C[C@@H](Oc1cccc(F)c1)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000322873648 600619363 /nfs/dbraw/zinc/61/93/63/600619363.db2.gz ZCMYYLIKFYFAOT-SECBINFHSA-N -1 0 337.734 3.583 20 0 EHADRM O=C([O-])c1ccc(COC(=O)Cc2c[nH]c3ccc(Cl)cc23)cc1 ZINC000739338658 600620070 /nfs/dbraw/zinc/62/00/70/600620070.db2.gz MAAHLRARAGOZSL-UHFFFAOYSA-N -1 0 343.766 3.805 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2ccc3ncsc3c2)c1 ZINC000316611029 600620869 /nfs/dbraw/zinc/62/08/69/600620869.db2.gz JHHFHWPFPBQXHG-UHFFFAOYSA-N -1 0 332.768 3.900 20 0 EHADRM CS[C@@H](C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000738180351 600621084 /nfs/dbraw/zinc/62/10/84/600621084.db2.gz ANWWPHHRWCQECX-LSDHHAIUSA-N -1 0 334.368 3.599 20 0 EHADRM COc1cc(Cl)ccc1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000317264443 600622107 /nfs/dbraw/zinc/62/21/07/600622107.db2.gz OYVANZLGYLWTOP-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2cccc3ncccc32)c1 ZINC000178256487 600622263 /nfs/dbraw/zinc/62/22/63/600622263.db2.gz BUKKSUYTELTQAI-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)N2CCc3c(Cl)cccc3C2)cc1 ZINC000739880184 600626454 /nfs/dbraw/zinc/62/64/54/600626454.db2.gz WJPCAVOCZMZTEY-UHFFFAOYSA-N -1 0 344.798 3.557 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1OCCC(C)C ZINC000262990602 600627340 /nfs/dbraw/zinc/62/73/40/600627340.db2.gz DMBFGFULRLLCFR-HNNXBMFYSA-N -1 0 348.443 3.748 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(CNCc2ccc(C(=O)[O-])o2)o1 ZINC000738396324 600639852 /nfs/dbraw/zinc/63/98/52/600639852.db2.gz CDAWDOUGFNZYRR-UHFFFAOYSA-N -1 0 329.327 3.975 20 0 EHADRM CC(C)(C)[C@H](NC(=O)CC1CCC(c2ccccc2)CC1)C(=O)[O-] ZINC000736241748 600644318 /nfs/dbraw/zinc/64/43/18/600644318.db2.gz JYLNRIJHSJJJLB-JFUPDXTOSA-N -1 0 331.456 3.966 20 0 EHADRM CCN(c1ccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1)C(C)C ZINC000392215002 600653368 /nfs/dbraw/zinc/65/33/68/600653368.db2.gz GMZPGLDQDOFMMH-HUUCEWRRSA-N -1 0 332.444 3.751 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)Nc2nc(CC(=O)[O-])cs2)cc1 ZINC000236804591 600661265 /nfs/dbraw/zinc/66/12/65/600661265.db2.gz JYFNKZGVWUXPPI-GJZGRUSLSA-N -1 0 344.436 3.636 20 0 EHADRM O=C([O-])[C@H](OC(=O)C1CCSCC1)c1ccc(Cl)cc1Cl ZINC000833351524 600668590 /nfs/dbraw/zinc/66/85/90/600668590.db2.gz RSORJTPPHJFBTB-GFCCVEGCSA-N -1 0 349.235 3.806 20 0 EHADRM CC(C)c1ccc(NCc2nccn2CC(F)(F)F)c(C(=O)[O-])c1 ZINC000736514778 600676426 /nfs/dbraw/zinc/67/64/26/600676426.db2.gz AFURWALWFWRKTF-UHFFFAOYSA-N -1 0 341.333 3.879 20 0 EHADRM Cc1ccc(C(C)C)c(OCC(=O)Oc2ccccc2CC(=O)[O-])c1 ZINC000738550030 600677060 /nfs/dbraw/zinc/67/70/60/600677060.db2.gz BQWWHGOGMTWQJC-UHFFFAOYSA-N -1 0 342.391 3.730 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)c1csc(-c2ccccc2)n1 ZINC000739896170 600677628 /nfs/dbraw/zinc/67/76/28/600677628.db2.gz MTNBJPSPBNJVOM-UHFFFAOYSA-N -1 0 339.372 3.656 20 0 EHADRM CC(C)CN(CC(C)C)C(=O)CNc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000736437983 600679907 /nfs/dbraw/zinc/67/99/07/600679907.db2.gz NDDFVFFILXWCNF-UHFFFAOYSA-N -1 0 348.487 3.601 20 0 EHADRM O=C([O-])c1cc(N2CCCCC2)c2cc(Br)ccc2n1 ZINC000077255905 600686106 /nfs/dbraw/zinc/68/61/06/600686106.db2.gz WYIDVQHPKZPWAY-UHFFFAOYSA-N -1 0 335.201 3.686 20 0 EHADRM Cc1cccc2c(CCC(=O)OCc3ccc(C(=O)[O-])cc3)c[nH]c21 ZINC000832975614 600686623 /nfs/dbraw/zinc/68/66/23/600686623.db2.gz FGMGPXRAIRKUSI-UHFFFAOYSA-N -1 0 337.375 3.851 20 0 EHADRM CCCc1nc(C)c(-c2nc(-c3cccc(C(=O)[O-])c3)no2)s1 ZINC000829570960 600693650 /nfs/dbraw/zinc/69/36/50/600693650.db2.gz METBWEWYTMZRFA-UHFFFAOYSA-N -1 0 329.381 3.819 20 0 EHADRM Cc1ccccc1-n1cc(-c2nc(-c3cccc(C(=O)[O-])c3)no2)cn1 ZINC000832976162 600694376 /nfs/dbraw/zinc/69/43/76/600694376.db2.gz GYSAUCNXDXMHKT-UHFFFAOYSA-N -1 0 346.346 3.596 20 0 EHADRM O=C([O-])c1cccc(-c2noc(Cc3c[nH]c4ccc(F)cc34)n2)c1 ZINC000833328083 600694647 /nfs/dbraw/zinc/69/46/47/600694647.db2.gz UTSUCXGONGZOSU-UHFFFAOYSA-N -1 0 337.310 3.646 20 0 EHADRM O=C([O-])c1cccc(-c2noc(-c3cccc(-n4cccc4)c3)n2)c1 ZINC000833325950 600694690 /nfs/dbraw/zinc/69/46/90/600694690.db2.gz BMXAQWSDSWXVAI-UHFFFAOYSA-N -1 0 331.331 3.893 20 0 EHADRM C[C@@H](Oc1ccc(F)c(F)c1)c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000827890036 600695118 /nfs/dbraw/zinc/69/51/18/600695118.db2.gz KTGOORKPIQKMRP-SECBINFHSA-N -1 0 346.289 3.853 20 0 EHADRM C[C@H](C(=O)OCc1cc(C(=O)[O-])co1)c1ccccc1C(F)(F)F ZINC000826064376 600701090 /nfs/dbraw/zinc/70/10/90/600701090.db2.gz JIGMXVGNWRPRRO-VIFPVBQESA-N -1 0 342.269 3.844 20 0 EHADRM C[C@@H](C(=O)OCc1occc1C(=O)[O-])c1ccccc1C(F)(F)F ZINC000826072611 600701459 /nfs/dbraw/zinc/70/14/59/600701459.db2.gz YQQTUSDDCMRDBJ-SECBINFHSA-N -1 0 342.269 3.844 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1C[C@]13CCCc1ccccc13)C2 ZINC000621557484 600707824 /nfs/dbraw/zinc/70/78/24/600707824.db2.gz IBIZETVTOMMIJB-UGKGYDQZSA-N -1 0 347.414 3.521 20 0 EHADRM C[C@H]1CCN(C(=O)NCCCCCCC(=O)[O-])[C@H](c2ccco2)C1 ZINC000828279409 600724360 /nfs/dbraw/zinc/72/43/60/600724360.db2.gz ZQMITJKBDCPPIY-GJZGRUSLSA-N -1 0 336.432 3.797 20 0 EHADRM C[C@@H]1CN(C(=O)NCCCCCCC(=O)[O-])CC[C@H]1c1ccccc1 ZINC000828354218 600724910 /nfs/dbraw/zinc/72/49/10/600724910.db2.gz HFYXTXANOTZIHD-SJLPKXTDSA-N -1 0 346.471 3.857 20 0 EHADRM C/C(=C\CSc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)[O-] ZINC000825792852 600725282 /nfs/dbraw/zinc/72/52/82/600725282.db2.gz JPTRYSSENLIWGF-FMIVXFBMSA-N -1 0 341.392 3.650 20 0 EHADRM CC(C)c1ccc([C@H]2C[C@H]2C(=O)OCc2cc(C(=O)[O-])co2)cc1 ZINC000736512609 600734355 /nfs/dbraw/zinc/73/43/55/600734355.db2.gz KADGMCDKDFPAIQ-IAGOWNOFSA-N -1 0 328.364 3.948 20 0 EHADRM CSc1ccc(O[C@@H](C)C(=O)OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000738210917 600734706 /nfs/dbraw/zinc/73/47/06/600734706.db2.gz DHUDDUFCHPIVPF-LBPRGKRZSA-N -1 0 346.404 3.617 20 0 EHADRM O=C([O-])c1ccoc1COC(=O)c1ccccc1Oc1ccccn1 ZINC000740297592 600735245 /nfs/dbraw/zinc/73/52/45/600735245.db2.gz SQMVRMBGTBKNHW-UHFFFAOYSA-N -1 0 339.303 3.522 20 0 EHADRM CC(=O)Nc1cc(N[C@H](C(=O)[O-])c2ccccc2F)ccc1Cl ZINC000825890531 600743023 /nfs/dbraw/zinc/74/30/23/600743023.db2.gz OZAAFBBETAHOCB-HNNXBMFYSA-N -1 0 336.750 3.675 20 0 EHADRM CCc1ccccc1CNC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000737273049 600747867 /nfs/dbraw/zinc/74/78/67/600747867.db2.gz VTPUNRMTSACZRU-UHFFFAOYSA-N -1 0 341.411 3.681 20 0 EHADRM CC[C@]1(C)CCCN(C(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000829044356 600751840 /nfs/dbraw/zinc/75/18/40/600751840.db2.gz PQUHKPNDJLLUGM-GOSISDBHSA-N -1 0 333.432 3.541 20 0 EHADRM Cc1cccc2c(CC(=O)Nc3ccc(CCC(=O)[O-])cc3)c[nH]c21 ZINC000237759234 600771346 /nfs/dbraw/zinc/77/13/46/600771346.db2.gz UKGMMNIIZVTECJ-UHFFFAOYSA-N -1 0 336.391 3.675 20 0 EHADRM CC(C)(CC(=O)[O-])NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000736310718 600782566 /nfs/dbraw/zinc/78/25/66/600782566.db2.gz SWWCQUBVZUHXPM-UHFFFAOYSA-N -1 0 325.408 3.578 20 0 EHADRM O=C([O-])C1(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)CCCCCC1 ZINC000833129217 600784874 /nfs/dbraw/zinc/78/48/74/600784874.db2.gz WTVVFMCJHFHJJP-PXNSSMCTSA-N -1 0 341.451 3.574 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2C[C@@]23CCc2ccccc23)cc1Cl ZINC000192851214 600786810 /nfs/dbraw/zinc/78/68/10/600786810.db2.gz SGABUDRZMUNFPI-DNVCBOLYSA-N -1 0 341.794 3.881 20 0 EHADRM O=C([O-])c1ccccc1OC(=O)c1cc(Oc2ccccc2)ccn1 ZINC000833354599 600802394 /nfs/dbraw/zinc/80/23/94/600802394.db2.gz YJYZRKFQPFIDMN-UHFFFAOYSA-N -1 0 335.315 3.791 20 0 EHADRM COc1ccc2cc([C@H](C)OC(=O)CCSCC(=O)[O-])ccc2c1 ZINC000832504766 600802745 /nfs/dbraw/zinc/80/27/45/600802745.db2.gz WUDAHSDWJGITCB-LBPRGKRZSA-N -1 0 348.420 3.661 20 0 EHADRM O=C([O-])c1ccsc1N1CC[C@@H](SC2CCCCC2)C1=O ZINC000833337791 600804750 /nfs/dbraw/zinc/80/47/50/600804750.db2.gz FHUJWFFEEOIMSD-GFCCVEGCSA-N -1 0 325.455 3.618 20 0 EHADRM Cc1cccc(S[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)c1 ZINC000832973046 600805887 /nfs/dbraw/zinc/80/58/87/600805887.db2.gz ULXYXQUBTKHBBY-ZDUSSCGKSA-N -1 0 333.434 3.652 20 0 EHADRM O=C([O-])C[C@H](NC(=O)/C=C\c1cccs1)c1cccc(Cl)c1 ZINC000776679646 600807116 /nfs/dbraw/zinc/80/71/16/600807116.db2.gz WPNHNTQROHUABL-AFNCTOJWSA-N -1 0 335.812 3.747 20 0 EHADRM O=C([O-])c1sccc1NC(=O)c1cc(Oc2ccccc2)ccn1 ZINC000833161997 600808027 /nfs/dbraw/zinc/80/80/27/600808027.db2.gz QKQBGWZQGFVYIC-UHFFFAOYSA-N -1 0 340.360 3.886 20 0 EHADRM COc1ccccc1[C@]1(C)C[C@@H]1Nc1nc(Cl)c(C(=O)[O-])s1 ZINC000832601361 600816252 /nfs/dbraw/zinc/81/62/52/600816252.db2.gz JJDNUWGKYFQXBU-BONVTDFDSA-N -1 0 338.816 3.645 20 0 EHADRM CC[C@@H]1CO[C@H](C)CN1Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000577856931 600817896 /nfs/dbraw/zinc/81/78/96/600817896.db2.gz KJAWPJRRUZFZKP-MLGOLLRUSA-N -1 0 346.452 3.508 20 0 EHADRM CCC(CC)c1cc(CNc2nc(Cl)c(C(=O)[O-])s2)on1 ZINC000828869597 600819082 /nfs/dbraw/zinc/81/90/82/600819082.db2.gz AHPBQSYMEOLLFH-UHFFFAOYSA-N -1 0 329.809 3.998 20 0 EHADRM Cc1c(NC(=S)N[C@H]2CCOc3ccccc32)cccc1C(=O)[O-] ZINC000738306520 600819436 /nfs/dbraw/zinc/81/94/36/600819436.db2.gz QPDLEPDAOHHMQV-HNNXBMFYSA-N -1 0 342.420 3.503 20 0 EHADRM CCO[C@H]1C[C@@H](Nc2nc(Cl)c(C(=O)[O-])s2)C12CCCC2 ZINC000829931574 600826817 /nfs/dbraw/zinc/82/68/17/600826817.db2.gz QBXCFYOJSOTDGG-BDAKNGLRSA-N -1 0 330.837 3.644 20 0 EHADRM COc1ccc(C(=O)[O-])c(NCc2ncc(-c3ccc(C)cc3)o2)c1 ZINC000832178299 600827858 /nfs/dbraw/zinc/82/78/58/600827858.db2.gz DZNJUSGFJDANTE-UHFFFAOYSA-N -1 0 338.363 3.969 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000675947719 600827979 /nfs/dbraw/zinc/82/79/79/600827979.db2.gz SCOAPRMNULWZJX-ROUUACIJSA-N -1 0 329.440 3.706 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)c1 ZINC000238153392 600829186 /nfs/dbraw/zinc/82/91/86/600829186.db2.gz CGWLBNJGUQSJGM-JQWIXIFHSA-N -1 0 335.281 3.544 20 0 EHADRM Cc1c(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)cccc1C(=O)[O-] ZINC000675965827 600830561 /nfs/dbraw/zinc/83/05/61/600830561.db2.gz BITQYNRZNFAMTM-OCCSQVGLSA-N -1 0 331.318 3.714 20 0 EHADRM O=C([O-])[C@H](Sc1nc2cc(Cl)cnc2[nH]1)c1ccccc1F ZINC000833168843 600832737 /nfs/dbraw/zinc/83/27/37/600832737.db2.gz FEKRNYHAACOERL-LLVKDONJSA-N -1 0 337.763 3.668 20 0 EHADRM Cc1oc(CN2C[C@H](c3ccccc3C)OC[C@@H]2C)cc1C(=O)[O-] ZINC000652423304 600834463 /nfs/dbraw/zinc/83/44/63/600834463.db2.gz RUKDSDGTWQYUMX-SCLBCKFNSA-N -1 0 329.396 3.557 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)c1 ZINC000740042409 600834472 /nfs/dbraw/zinc/83/44/72/600834472.db2.gz IJUQRLRUFHJABG-GXTWGEPZSA-N -1 0 332.306 3.797 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)c1 ZINC000740042411 600834543 /nfs/dbraw/zinc/83/45/43/600834543.db2.gz IJUQRLRUFHJABG-OCCSQVGLSA-N -1 0 332.306 3.797 20 0 EHADRM O=C([O-])[C@H](Sc1nccn1Cc1ccccc1)c1ccccc1F ZINC000833171475 600835485 /nfs/dbraw/zinc/83/54/85/600835485.db2.gz YZVOGTTZZCCXCR-MRXNPFEDSA-N -1 0 342.395 3.989 20 0 EHADRM CC[C@@](C)(NC(=O)C[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000262384568 600836517 /nfs/dbraw/zinc/83/65/17/600836517.db2.gz DIHQUCLXWGWOJZ-ZUZCIYMTSA-N -1 0 331.334 3.569 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)c(F)c1 ZINC000479520935 600839001 /nfs/dbraw/zinc/83/90/01/600839001.db2.gz ZYWGCBBVFRFDTM-GHMZBOCLSA-N -1 0 335.281 3.544 20 0 EHADRM O=C([O-])CNC(=O)c1c(Cl)cccc1Oc1ccccc1Cl ZINC000238193776 600847618 /nfs/dbraw/zinc/84/76/18/600847618.db2.gz OWFGWXYZNMJJBV-UHFFFAOYSA-N -1 0 340.162 3.600 20 0 EHADRM CC(C)c1nn(C)c2sc(C(=O)Nc3cccc(C(=O)[O-])c3)cc12 ZINC000236628788 600848126 /nfs/dbraw/zinc/84/81/26/600848126.db2.gz NIXAWAPIIGTNGD-UHFFFAOYSA-N -1 0 343.408 3.709 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)c2ncoc2-c2ccccc2)c2ccccc21 ZINC000739653184 600848795 /nfs/dbraw/zinc/84/87/95/600848795.db2.gz IWDIQJIUHCXSDJ-AWEZNQCLSA-N -1 0 348.358 3.560 20 0 EHADRM Cc1ccc([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)o1 ZINC000832925105 600854417 /nfs/dbraw/zinc/85/44/17/600854417.db2.gz WFLNQLBQXXTUHH-CYBMUJFWSA-N -1 0 342.395 3.629 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000737257462 600855449 /nfs/dbraw/zinc/85/54/49/600855449.db2.gz OYRPWODSWYXODS-YOEHRIQHSA-N -1 0 337.419 3.958 20 0 EHADRM C/C(=C\C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21)c1cccc(F)c1 ZINC000736120986 600858801 /nfs/dbraw/zinc/85/88/01/600858801.db2.gz NLDMTAGWUCVUTE-BMQCOBNYSA-N -1 0 339.366 3.834 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21 ZINC000327091936 600861692 /nfs/dbraw/zinc/86/16/92/600861692.db2.gz BEWNSCHABZOSHR-HIHZZFLASA-N -1 0 339.435 3.808 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)CCSc2ccccc2)c2ccccc21 ZINC000325344490 600862702 /nfs/dbraw/zinc/86/27/02/600862702.db2.gz LCDZVXZXWPWWGX-CQSZACIVSA-N -1 0 341.432 3.774 20 0 EHADRM CN(Cc1cccc(Cl)c1Cl)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000390268935 600871332 /nfs/dbraw/zinc/87/13/32/600871332.db2.gz JXXCZIGYBLCIKX-GHMZBOCLSA-N -1 0 344.238 3.843 20 0 EHADRM CN(Cc1cccc(Cl)c1Cl)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000390268936 600871413 /nfs/dbraw/zinc/87/14/13/600871413.db2.gz JXXCZIGYBLCIKX-MNOVXSKESA-N -1 0 344.238 3.843 20 0 EHADRM Cc1cc2sc(NC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)nc2c(C)c1 ZINC000832875052 600873420 /nfs/dbraw/zinc/87/34/20/600873420.db2.gz OSVXYWDPMOBSOM-NEPJUHHUSA-N -1 0 332.425 3.743 20 0 EHADRM C[C@H](CN(C(=O)C1CCC(c2ccccc2)CC1)C1CC1)C(=O)[O-] ZINC000237591084 600873565 /nfs/dbraw/zinc/87/35/65/600873565.db2.gz DAAHUYIKHCSELV-ODIFPOPNSA-N -1 0 329.440 3.672 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000479466776 600876561 /nfs/dbraw/zinc/87/65/61/600876561.db2.gz IYJGQOTWERIVEX-NSHDSACASA-N -1 0 333.334 3.870 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2SCCc3ccccc32)c(C(=O)[O-])c1 ZINC000543446895 600876958 /nfs/dbraw/zinc/87/69/58/600876958.db2.gz NMYCJZUJXVAJFA-INIZCTEOSA-N -1 0 327.405 3.662 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cc1 ZINC000262154235 600880750 /nfs/dbraw/zinc/88/07/50/600880750.db2.gz GHFXIPRFBNUOAQ-UHFFFAOYSA-N -1 0 341.382 3.858 20 0 EHADRM CCc1ccc(CC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC000262502869 600881574 /nfs/dbraw/zinc/88/15/74/600881574.db2.gz NVUIVSKIUNSOGA-UHFFFAOYSA-N -1 0 325.408 3.792 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)/C=C\c2ccccc2F)cc1 ZINC000391755042 600883204 /nfs/dbraw/zinc/88/32/04/600883204.db2.gz RAIMPPASLXDWAR-GHXNOFRVSA-N -1 0 327.355 3.840 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1 ZINC000263190140 600883537 /nfs/dbraw/zinc/88/35/37/600883537.db2.gz XZTYUMHYNUTVPC-IAGOWNOFSA-N -1 0 341.382 3.930 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)s1 ZINC000736185156 600884248 /nfs/dbraw/zinc/88/42/48/600884248.db2.gz GWIFLKSURIUWIZ-UHFFFAOYSA-N -1 0 331.393 3.565 20 0 EHADRM CCC(CC)[C@@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccccc1 ZINC000643174899 600899198 /nfs/dbraw/zinc/89/91/98/600899198.db2.gz WCGJHADLSOOZRM-QGZVFWFLSA-N -1 0 326.396 3.687 20 0 EHADRM COc1ccc2oc(C(=O)Nc3ccc(C(=O)[O-])s3)c(C)c2c1 ZINC000832510434 600899850 /nfs/dbraw/zinc/89/98/50/600899850.db2.gz MMIALIJNFDMEAS-UHFFFAOYSA-N -1 0 331.349 3.762 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N3C[C@H](CC(=O)[O-])c4ccccc43)cc2c1 ZINC000738664713 600910543 /nfs/dbraw/zinc/91/05/43/600910543.db2.gz MGKWZVOECWZZOD-AWEZNQCLSA-N -1 0 334.375 3.695 20 0 EHADRM COc1cccc(N(CC(C)C)C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000832558956 600915377 /nfs/dbraw/zinc/91/53/77/600915377.db2.gz USTQBVIMBSMXQK-GJZGRUSLSA-N -1 0 333.428 3.575 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000553755525 600918231 /nfs/dbraw/zinc/91/82/31/600918231.db2.gz PJGUQPYGVUFIEE-GUDVDZBRSA-N -1 0 339.435 3.806 20 0 EHADRM CC(C)C[C@@H](CNC(=O)[C@@H](C)Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000317186154 600918721 /nfs/dbraw/zinc/91/87/21/600918721.db2.gz HNZKMWZSFIRFQY-NEPJUHHUSA-N -1 0 343.876 3.684 20 0 EHADRM CCC(CC)(NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000342521287 600924525 /nfs/dbraw/zinc/92/45/25/600924525.db2.gz HOGIIQZHEVIXOV-LLVKDONJSA-N -1 0 345.361 3.959 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@@H](C)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000678983444 600927322 /nfs/dbraw/zinc/92/73/22/600927322.db2.gz ROGWKXWUBOQZMS-WDEREUQCSA-N -1 0 346.254 3.960 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2scnc2-c2ccccc2)C1 ZINC000833186086 600927884 /nfs/dbraw/zinc/92/78/84/600927884.db2.gz FKDIWMPBOQENQU-QWHCGFSZSA-N -1 0 330.409 3.640 20 0 EHADRM CCCCC[C@@H](O)CC(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000829349646 600928114 /nfs/dbraw/zinc/92/81/14/600928114.db2.gz ZGKXQEQZRZTCGH-GFCCVEGCSA-N -1 0 349.452 3.547 20 0 EHADRM Cc1ccccc1NCCC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000738778172 600934097 /nfs/dbraw/zinc/93/40/97/600934097.db2.gz NBYNTWPIZJFXLY-UHFFFAOYSA-N -1 0 340.423 3.798 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N1CCC2(CCCC2)C1)C(=O)[O-] ZINC000237369068 600934248 /nfs/dbraw/zinc/93/42/48/600934248.db2.gz FWYNHGZDGIMFQU-CYBMUJFWSA-N -1 0 333.453 3.658 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1cc2ccccc2s1 ZINC000647194258 600940551 /nfs/dbraw/zinc/94/05/51/600940551.db2.gz HAEXNEKIWXWRPF-UBHSHLNASA-N -1 0 331.437 3.970 20 0 EHADRM CCN(C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)C12CC3CC(CC(C3)C1)C2 ZINC000829591680 600945004 /nfs/dbraw/zinc/94/50/04/600945004.db2.gz WLBKSMCKJHCJNR-IDHTWPPDSA-N -1 0 333.472 3.695 20 0 EHADRM Cc1oc(CN(C)Cc2ncc(-c3ccccc3F)o2)cc1C(=O)[O-] ZINC000738978814 600948857 /nfs/dbraw/zinc/94/88/57/600948857.db2.gz KJRSNLLVWVQLRX-UHFFFAOYSA-N -1 0 344.342 3.712 20 0 EHADRM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc(C(=O)[O-])s1 ZINC000236712805 600955582 /nfs/dbraw/zinc/95/55/82/600955582.db2.gz UEPQXUXRKYFRSS-CYBMUJFWSA-N -1 0 335.400 3.583 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2cc(C3CCCCCC3)[nH]n2)C1 ZINC000833185661 600960135 /nfs/dbraw/zinc/96/01/35/600960135.db2.gz HYPUCSQHMKOHPN-ZIAGYGMSSA-N -1 0 333.432 3.677 20 0 EHADRM CCO[C@H]1C[C@H](OC(=O)c2cccc(C(=O)[O-])c2)C12CCCCC2 ZINC000829931937 600961240 /nfs/dbraw/zinc/96/12/40/600961240.db2.gz YFEJBFWTHBDTNQ-HOTGVXAUSA-N -1 0 332.396 3.670 20 0 EHADRM O=C([O-])C[C@H]1CN(Cc2ncc(-c3cccs3)o2)c2ccccc21 ZINC000739653063 600964071 /nfs/dbraw/zinc/96/40/71/600964071.db2.gz GIGSXFDZWLCTRC-LBPRGKRZSA-N -1 0 340.404 3.982 20 0 EHADRM Cc1sc(NC(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)c(C(=O)[O-])c1C ZINC000832905226 600964225 /nfs/dbraw/zinc/96/42/25/600964225.db2.gz ARFWRBGQRMOIPR-AWEZNQCLSA-N -1 0 345.420 3.622 20 0 EHADRM Cc1nc(CN2C[C@@H](CC(=O)[O-])c3ccccc32)nc2ccccc12 ZINC000738855295 600965110 /nfs/dbraw/zinc/96/51/10/600965110.db2.gz QIGODNABWILHQN-CQSZACIVSA-N -1 0 333.391 3.517 20 0 EHADRM CCCOc1ccc(CCC(=O)Nc2nc(C)c(C(=O)[O-])s2)cc1 ZINC000829532577 600965573 /nfs/dbraw/zinc/96/55/73/600965573.db2.gz SZBTYIKDJHQYPL-UHFFFAOYSA-N -1 0 348.424 3.510 20 0 EHADRM CCCOc1ccc(CCC(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC000829528404 600966910 /nfs/dbraw/zinc/96/69/10/600966910.db2.gz XAUUMWVEYZRJHN-UHFFFAOYSA-N -1 0 341.407 3.769 20 0 EHADRM C[C@@]1(C(=O)Nc2cc(C(=O)[O-])ccc2F)CCc2ccccc2C1 ZINC000827976567 600968374 /nfs/dbraw/zinc/96/83/74/600968374.db2.gz RBTCHOBHOODEFG-LJQANCHMSA-N -1 0 327.355 3.658 20 0 EHADRM Cc1cc(NC(=S)N[C@@H]2CCc3ccccc3C2)sc1C(=O)[O-] ZINC000832897746 600970193 /nfs/dbraw/zinc/97/01/93/600970193.db2.gz VXHXIVAKIKXHID-CYBMUJFWSA-N -1 0 346.477 3.599 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000833299105 600971105 /nfs/dbraw/zinc/97/11/05/600971105.db2.gz LVSOGBPTLZRPCQ-JXFKEZNVSA-N -1 0 339.366 3.757 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NC2CC(c3cccc(Cl)c3)C2)C1 ZINC000779430359 600971509 /nfs/dbraw/zinc/97/15/09/600971509.db2.gz PEEZDNKNPYSMHY-NNNQGMHWSA-N -1 0 335.831 3.593 20 0 EHADRM C[C@@H](c1ccc(C(=O)[O-])o1)N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000652423575 600971659 /nfs/dbraw/zinc/97/16/59/600971659.db2.gz JPCLNHGWNCDYRF-BWACUDIHSA-N -1 0 333.359 3.640 20 0 EHADRM C[C@H](c1ccc(C(=O)[O-])o1)N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000652423577 600971912 /nfs/dbraw/zinc/97/19/12/600971912.db2.gz JPCLNHGWNCDYRF-PSTGCABASA-N -1 0 333.359 3.640 20 0 EHADRM Cc1ccc(C(C)(C)CN(C)C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000192971474 600973355 /nfs/dbraw/zinc/97/33/55/600973355.db2.gz HKBVMDNYTIYOJW-CVEARBPZSA-N -1 0 331.456 3.622 20 0 EHADRM C[C@H](CCNc1ccc(C(=O)[O-])nn1)c1cccc(C(F)(F)F)c1 ZINC000827418159 600985731 /nfs/dbraw/zinc/98/57/31/600985731.db2.gz YXKJOQNKPKTNBZ-SNVBAGLBSA-N -1 0 339.317 3.799 20 0 EHADRM Cc1cc(C(=O)[C@@H](C)SC[C@H](C)C(=O)[O-])c(C)n1Cc1ccco1 ZINC000738320287 600986909 /nfs/dbraw/zinc/98/69/09/600986909.db2.gz QYWJEUFMPUONHT-SMDDNHRTSA-N -1 0 349.452 3.771 20 0 EHADRM O=C([O-])[C@@H](Sc1nnc(C2CC2)s1)c1cccc(Cl)c1 ZINC000833169956 600989384 /nfs/dbraw/zinc/98/93/84/600989384.db2.gz NFLMXSGFNUBALQ-JTQLQIEISA-N -1 0 326.830 3.987 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Nc2cc(F)ccc2F)cc1 ZINC000391729722 600995977 /nfs/dbraw/zinc/99/59/77/600995977.db2.gz UMMNYQWFUAGAGZ-UHFFFAOYSA-N -1 0 334.322 3.971 20 0 EHADRM CCO[C@@H]1C[C@H](NC(=O)Nc2cc(C(=O)[O-])ccc2C)C12CCCC2 ZINC000829925131 600998386 /nfs/dbraw/zinc/99/83/86/600998386.db2.gz NPPJHXANGBDFNW-JKSUJKDBSA-N -1 0 346.427 3.553 20 0 EHADRM O=C([O-])[C@H](c1ccccc1F)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000582910796 600998772 /nfs/dbraw/zinc/99/87/72/600998772.db2.gz VLVBPAMWJZUQBW-IRXDYDNUSA-N -1 0 349.789 3.678 20 0 EHADRM C[C@@H](C(=O)N(CCC(=O)[O-])Cc1ccccc1)c1cccc(Cl)c1 ZINC000678973229 600998967 /nfs/dbraw/zinc/99/89/67/600998967.db2.gz BNYRGGFEDKMSHK-CQSZACIVSA-N -1 0 345.826 3.947 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)c1ccccc1Sc1ccccc1 ZINC000237018452 601002602 /nfs/dbraw/zinc/00/26/02/601002602.db2.gz NOZBKBKBAQZVMM-UHFFFAOYSA-N -1 0 329.421 3.775 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@H]1CCSc2ccccc21 ZINC000262333699 601003096 /nfs/dbraw/zinc/00/30/96/601003096.db2.gz FIPKHPYUOBASJB-HNKHHVNMSA-N -1 0 345.464 3.510 20 0 EHADRM O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1Cc2ccccc21 ZINC000325852718 601003877 /nfs/dbraw/zinc/00/38/77/601003877.db2.gz JWLRQLGNQCIDHU-CYBMUJFWSA-N -1 0 335.281 3.682 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1cc2cccc(F)c2o1 ZINC000676017376 601004658 /nfs/dbraw/zinc/00/46/58/601004658.db2.gz OGEITEOHZVYMEV-UHFFFAOYSA-N -1 0 343.310 3.596 20 0 EHADRM CCCc1ncc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)s1 ZINC000236945346 601011158 /nfs/dbraw/zinc/01/11/58/601011158.db2.gz XVNYXMXJCSWRQP-UHFFFAOYSA-N -1 0 348.424 3.592 20 0 EHADRM C/C(=C\C(=O)N(CCC(=O)[O-])C(C)C)c1ccccc1C(F)(F)F ZINC000736116902 601011471 /nfs/dbraw/zinc/01/14/71/601011471.db2.gz DJGZVAKMYOXADR-ZRDIBKRKSA-N -1 0 343.345 3.820 20 0 EHADRM CN(C(=O)c1ccc(-c2ccccc2)n1C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737336993 601019215 /nfs/dbraw/zinc/01/92/15/601019215.db2.gz RSIXYEJLWJETCR-LJQANCHMSA-N -1 0 348.402 3.590 20 0 EHADRM COc1cccc(F)c1[C@@H](C)NC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000832557884 601022385 /nfs/dbraw/zinc/02/23/85/601022385.db2.gz AYAZHMXFKMKXQG-SNVBAGLBSA-N -1 0 347.346 3.807 20 0 EHADRM C/C(=C/C(=O)Oc1ccccc1CC(=O)[O-])c1ccccc1Cl ZINC000736122066 601022402 /nfs/dbraw/zinc/02/24/02/601022402.db2.gz SFZRZKYAAIYTCR-BENRWUELSA-N -1 0 330.767 3.976 20 0 EHADRM CCO[C@H](C)c1nc(CN(C)[C@H](C)c2ccc(C(=O)[O-])o2)cs1 ZINC000568992544 601023299 /nfs/dbraw/zinc/02/32/99/601023299.db2.gz OXDBRSGTZQYPTM-GHMZBOCLSA-N -1 0 338.429 3.725 20 0 EHADRM Cc1ccc(CC[C@@H](C)NC(=O)Nc2cccc(NC(=O)[O-])c2)o1 ZINC000832931163 601023973 /nfs/dbraw/zinc/02/39/73/601023973.db2.gz YCOZRXVSSRWSKZ-LLVKDONJSA-N -1 0 331.372 3.821 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)N2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000833288106 601024463 /nfs/dbraw/zinc/02/44/63/601024463.db2.gz IVNSWYGFUXIROI-HNNXBMFYSA-N -1 0 339.395 3.873 20 0 EHADRM O=C([O-])CCN(C(=O)Cc1cc2ccccc2o1)c1cccc(F)c1 ZINC000739712182 601026954 /nfs/dbraw/zinc/02/69/54/601026954.db2.gz PVLNOGVWNLGCBI-UHFFFAOYSA-N -1 0 341.338 3.622 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N[C@H](CC2CC2)c2ccccc2)cc1 ZINC000739251648 601033235 /nfs/dbraw/zinc/03/32/35/601033235.db2.gz JIXCSIBGXVYCSR-LJQANCHMSA-N -1 0 337.419 3.975 20 0 EHADRM C[C@@H]1C[C@@H]1[C@@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000736766929 601034236 /nfs/dbraw/zinc/03/42/36/601034236.db2.gz WYEMOMWHDAPHOH-OOVXXXAESA-N -1 0 344.798 3.560 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1 ZINC000833239342 601035792 /nfs/dbraw/zinc/03/57/92/601035792.db2.gz PGHDXJRCHGQQJR-IIAWOOMASA-N -1 0 346.427 3.630 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N[C@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000833238988 601047230 /nfs/dbraw/zinc/04/72/30/601047230.db2.gz WBMMLJPNSJKWSP-SJORKVTESA-N -1 0 330.428 3.794 20 0 EHADRM Cc1ccc(NS(=O)(=O)c2cccc(C(C)C)c2)c(C(=O)[O-])c1 ZINC000738637763 601047540 /nfs/dbraw/zinc/04/75/40/601047540.db2.gz ZKKFDHLUYYOGKK-UHFFFAOYSA-N -1 0 333.409 3.617 20 0 EHADRM CN(Cc1ccc(NC(=O)N[C@H]2C[C@H]2C2CCCCC2)cc1)C(=O)[O-] ZINC000830835631 601051805 /nfs/dbraw/zinc/05/18/05/601051805.db2.gz IGFFQPPEIARKRU-IRXDYDNUSA-N -1 0 345.443 3.887 20 0 EHADRM C/C(=C/C(=O)NCCCCCC(=O)[O-])c1ccccc1C(F)(F)F ZINC000236643066 601051848 /nfs/dbraw/zinc/05/18/48/601051848.db2.gz MKEIPPGDDPRPMM-QXMHVHEDSA-N -1 0 343.345 3.870 20 0 EHADRM O=C([O-])CCCCCNC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000238153280 601051880 /nfs/dbraw/zinc/05/18/80/601051880.db2.gz FZRCODZYPIYJMM-KBPBESRZSA-N -1 0 344.238 3.858 20 0 EHADRM CCC[C@@H]1[C@@H](C)CCCN1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000829245199 601052895 /nfs/dbraw/zinc/05/28/95/601052895.db2.gz GKOJDEQDSWYFMW-XJKSGUPXSA-N -1 0 333.432 3.887 20 0 EHADRM Cc1cccc(C)c1NCC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000738687773 601059071 /nfs/dbraw/zinc/05/90/71/601059071.db2.gz BGBZHZJMIHKSPQ-UHFFFAOYSA-N -1 0 331.347 3.583 20 0 EHADRM C[C@@H](CCOc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000479613433 601066679 /nfs/dbraw/zinc/06/66/79/601066679.db2.gz QDADSLMROSEZLW-LBPRGKRZSA-N -1 0 331.343 3.568 20 0 EHADRM CCCc1c(C(=O)N2CCC3(C2)CCCCC3)[nH]c(C)c1C(=O)[O-] ZINC000737041455 601067306 /nfs/dbraw/zinc/06/73/06/601067306.db2.gz NXQHOCPNHOHFOJ-UHFFFAOYSA-N -1 0 332.444 3.770 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1cc2cc(Cl)ccc2o1)c1ccccc1 ZINC000486289136 601074055 /nfs/dbraw/zinc/07/40/55/601074055.db2.gz BOLMEENBJLXUIG-AWEZNQCLSA-N -1 0 343.766 3.684 20 0 EHADRM O=C([O-])[C@H](OC(=O)CCn1ccc2ccccc21)c1ccccc1F ZINC000833103957 601076358 /nfs/dbraw/zinc/07/63/58/601076358.db2.gz OMNGEQJDKMZBOJ-GOSISDBHSA-N -1 0 341.338 3.540 20 0 EHADRM CCS[C@@H](C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1)C(C)C ZINC000830150435 601078485 /nfs/dbraw/zinc/07/84/85/601078485.db2.gz ONQLFTKHJCEAOO-SECBINFHSA-N -1 0 344.502 3.855 20 0 EHADRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)CCc1ccccc1 ZINC000833176637 601078648 /nfs/dbraw/zinc/07/86/48/601078648.db2.gz FBZRCVJRMYBBQT-ZWKOTPCHSA-N -1 0 329.440 3.501 20 0 EHADRM Cc1cccc(C(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c1C ZINC000832963748 601078671 /nfs/dbraw/zinc/07/86/71/601078671.db2.gz LSGJHOWKTZCOCK-SJLPKXTDSA-N -1 0 329.440 3.799 20 0 EHADRM Cc1cc(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)ccc1F ZINC000832866391 601079007 /nfs/dbraw/zinc/07/90/07/601079007.db2.gz AVRJVVOFFNCFHE-UHFFFAOYSA-N -1 0 336.388 3.839 20 0 EHADRM CSc1ccc(C(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cc1 ZINC000832774609 601079529 /nfs/dbraw/zinc/07/95/29/601079529.db2.gz SCGYHQDBIFCHJZ-NVXWUHKLSA-N -1 0 347.480 3.904 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1cccc(Cl)c1 ZINC000833179549 601082000 /nfs/dbraw/zinc/08/20/00/601082000.db2.gz ONGLGHRUSBQUJO-ZBFHGGJFSA-N -1 0 335.831 3.836 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000339350155 601082074 /nfs/dbraw/zinc/08/20/74/601082074.db2.gz YBFSGQALVKCAQM-RWEMILLDSA-N -1 0 332.227 3.712 20 0 EHADRM CSCc1cc(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)ccc1F ZINC000832766914 601083069 /nfs/dbraw/zinc/08/30/69/601083069.db2.gz QSDMIOYIYHNRKP-UHFFFAOYSA-N -1 0 345.395 3.543 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1ccc2cc[nH]c2c1 ZINC000833178092 601088976 /nfs/dbraw/zinc/08/89/76/601088976.db2.gz DZZHVZHMFXVCHB-SJLPKXTDSA-N -1 0 340.423 3.664 20 0 EHADRM CSc1ccc(F)cc1CNC(=O)c1ccccc1NC(=O)[O-] ZINC000832781557 601100584 /nfs/dbraw/zinc/10/05/84/601100584.db2.gz XAQQLFVVJHBBBM-UHFFFAOYSA-N -1 0 334.372 3.568 20 0 EHADRM Cc1csc([C@@H]2CCCN(c3nc(Cl)c(C(=O)[O-])s3)C2)n1 ZINC000738816417 601107977 /nfs/dbraw/zinc/10/79/77/601107977.db2.gz LBYKCNXHMBDQGL-MRVPVSSYSA-N -1 0 343.861 3.644 20 0 EHADRM CCC(CC)C(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000828854683 601109070 /nfs/dbraw/zinc/10/90/70/601109070.db2.gz PJPYSKATEBFNRY-UHFFFAOYSA-N -1 0 333.409 3.988 20 0 EHADRM Cc1ccc(NC(=O)[C@H](c2cccc(Cl)c2)N(C)C)cc1C(=O)[O-] ZINC000832941792 601110108 /nfs/dbraw/zinc/11/01/08/601110108.db2.gz NDOICMYWSJTBKO-INIZCTEOSA-N -1 0 346.814 3.588 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000827908151 601111841 /nfs/dbraw/zinc/11/18/41/601111841.db2.gz FPNRBLBFUYJNRY-MLGOLLRUSA-N -1 0 348.395 3.817 20 0 EHADRM O=C([O-])[C@@H](OC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1F ZINC000833349327 601112113 /nfs/dbraw/zinc/11/21/13/601112113.db2.gz BTEWIMBXABMVDG-BREBYQMCSA-N -1 0 348.292 3.863 20 0 EHADRM O=C([O-])[C@H](OC(=O)CCc1ccc(Cl)s1)c1ccccc1F ZINC000833103031 601112826 /nfs/dbraw/zinc/11/28/26/601112826.db2.gz ZMHDKHUTPVYLDF-CQSZACIVSA-N -1 0 342.775 3.842 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)OCCSc1ccc(Cl)cc1 ZINC000826806428 601120596 /nfs/dbraw/zinc/12/05/96/601120596.db2.gz FUCVPXLUWQAGMO-ZDUSSCGKSA-N -1 0 345.848 3.658 20 0 EHADRM CCN(C(=O)c1cccc2ccccc21)c1ncc(C(=O)[O-])s1 ZINC000737059157 601125019 /nfs/dbraw/zinc/12/50/19/601125019.db2.gz KPGWMPWJAFYTJR-UHFFFAOYSA-N -1 0 326.377 3.661 20 0 EHADRM C[C@@H]1c2ccccc2CN1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000828528077 601131798 /nfs/dbraw/zinc/13/17/98/601131798.db2.gz QOQSYPLXWULWMX-CYBMUJFWSA-N -1 0 340.379 3.649 20 0 EHADRM CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000237014478 601134022 /nfs/dbraw/zinc/13/40/22/601134022.db2.gz VNPVYCDIYDSVEA-HNNXBMFYSA-N -1 0 347.798 3.512 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000261601482 601135759 /nfs/dbraw/zinc/13/57/59/601135759.db2.gz BMAOWUWUUVAOTP-UHFFFAOYSA-N -1 0 344.333 3.779 20 0 EHADRM CC[C@H](C)c1ccccc1OS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000013068014 601136348 /nfs/dbraw/zinc/13/63/48/601136348.db2.gz STEFLGANWHMPHE-LBPRGKRZSA-N -1 0 334.393 3.666 20 0 EHADRM Cc1c(C(=O)N(CCC(=O)[O-])Cc2ccccc2)cnc2ccccc12 ZINC000761377886 601136731 /nfs/dbraw/zinc/13/67/31/601136731.db2.gz WIYGYYGAJKZALB-UHFFFAOYSA-N -1 0 348.402 3.660 20 0 EHADRM Cc1ccc(NC(=O)N(C)C[C@@H](C)c2ccccc2)cc1C(=O)[O-] ZINC000832945323 601142383 /nfs/dbraw/zinc/14/23/83/601142383.db2.gz UPBJOUMTOLCITM-CQSZACIVSA-N -1 0 326.396 3.961 20 0 EHADRM O=C([O-])c1cc(Br)ccc1OC(=O)CCC1CCC1 ZINC000833096854 601142505 /nfs/dbraw/zinc/14/25/05/601142505.db2.gz XOKXSBHXTBIDIH-UHFFFAOYSA-N -1 0 327.174 3.633 20 0 EHADRM Cc1ccc(NC(=O)NC2(c3ccccc3F)CC2)cc1C(=O)[O-] ZINC000832948120 601145738 /nfs/dbraw/zinc/14/57/38/601145738.db2.gz ZPELTKGTGMFACP-UHFFFAOYSA-N -1 0 328.343 3.643 20 0 EHADRM CC[C@H](C)[C@H](C)N(C(=O)NCCc1ccc(C(=O)[O-])cc1)C1CC1 ZINC000828708768 601147651 /nfs/dbraw/zinc/14/76/51/601147651.db2.gz NMTJPYXQORXUOB-KBPBESRZSA-N -1 0 332.444 3.536 20 0 EHADRM CCN(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1nc2ccccc2s1 ZINC000829591325 601147905 /nfs/dbraw/zinc/14/79/05/601147905.db2.gz RRNUTSQWSZJGCS-NEPJUHHUSA-N -1 0 332.425 3.540 20 0 EHADRM COc1ccc2cc(COC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)ccc2c1 ZINC000832504737 601149130 /nfs/dbraw/zinc/14/91/30/601149130.db2.gz VTQKLTXAMFFURR-IRXDYDNUSA-N -1 0 342.391 3.783 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)O[C@H](c2ccccc2)c2ccccn2)C1 ZINC000833189743 601149198 /nfs/dbraw/zinc/14/91/98/601149198.db2.gz UMNBTJLUFXQCHS-JFIYKMOQSA-N -1 0 339.391 3.605 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)OCc2cnc(-c3ccccc3)s2)C1 ZINC000833190201 601154825 /nfs/dbraw/zinc/15/48/25/601154825.db2.gz WOAKGHHRZVJRGF-KBPBESRZSA-N -1 0 345.420 3.744 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)C/C=C\c1ccc(F)cc1)c1ccccc1 ZINC000486070262 601167452 /nfs/dbraw/zinc/16/74/52/601167452.db2.gz XTCOBMFYIOLANJ-CQOWEHETSA-N -1 0 341.382 3.807 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Oc2ccc(Oc3nccs3)cc2)C1 ZINC000833186630 601173547 /nfs/dbraw/zinc/17/35/47/601173547.db2.gz GNFFYSALIIARAC-NWDGAFQWSA-N -1 0 347.392 3.732 20 0 EHADRM O=C([O-])CC1(NC(=O)CCc2ccc(Cl)s2)CCCCC1 ZINC000531747738 601184652 /nfs/dbraw/zinc/18/46/52/601184652.db2.gz OAXYQKMWKQIKLU-UHFFFAOYSA-N -1 0 329.849 3.628 20 0 EHADRM Cc1cccc2c(CCC(=O)NC3(CC(=O)[O-])CCCCC3)c[nH]c21 ZINC000532259656 601186756 /nfs/dbraw/zinc/18/67/56/601186756.db2.gz FHDGVFDVADIMNU-UHFFFAOYSA-N -1 0 342.439 3.703 20 0 EHADRM Cc1ccc(-c2cc(COC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)on2)cc1 ZINC000832905572 601190410 /nfs/dbraw/zinc/19/04/10/601190410.db2.gz BOQCQLYTAHCQIJ-CABCVRRESA-N -1 0 343.379 3.584 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000417756268 601194052 /nfs/dbraw/zinc/19/40/52/601194052.db2.gz ZDZJDLKKXMMTRW-UHFFFAOYSA-N -1 0 338.379 3.524 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cccc(C(F)(F)F)c1F)c1ccccc1 ZINC000833351103 601195638 /nfs/dbraw/zinc/19/56/38/601195638.db2.gz MVSJDJVCQQTRJF-CYBMUJFWSA-N -1 0 342.244 3.827 20 0 EHADRM O=C([O-])c1ccc(NCCCc2ccc(Cl)cc2Cl)nn1 ZINC000833320810 601202344 /nfs/dbraw/zinc/20/23/44/601202344.db2.gz MWOPEWLLBVGCOB-UHFFFAOYSA-N -1 0 326.183 3.526 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](c2nc(Cc3cccc4cccnc43)no2)C1 ZINC000833188374 601207833 /nfs/dbraw/zinc/20/78/33/601207833.db2.gz YGNMIPCTELKITD-CABCVRRESA-N -1 0 337.379 3.567 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cccc(Cl)c3)[nH]n2)C1 ZINC000833185715 601209992 /nfs/dbraw/zinc/20/99/92/601209992.db2.gz ILTAVNZVKBTTBT-NWDGAFQWSA-N -1 0 347.802 3.560 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2cccc(NC3CCCC3)c2)C1 ZINC000833186423 601210972 /nfs/dbraw/zinc/21/09/72/601210972.db2.gz LXLKMQIVFQKMKQ-KGLIPLIRSA-N -1 0 330.428 3.871 20 0 EHADRM O=C([O-])c1sc(N2CCSC3(CCCCC3)C2)nc1Cl ZINC000833345957 601214311 /nfs/dbraw/zinc/21/43/11/601214311.db2.gz GRZZLJBJGXBIRY-UHFFFAOYSA-N -1 0 332.878 3.751 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)Oc2ccccc2NC(=O)[O-])c1 ZINC000827134051 601226209 /nfs/dbraw/zinc/22/62/09/601226209.db2.gz AMRGAJAKXCQVSS-UHFFFAOYSA-N -1 0 335.381 3.668 20 0 EHADRM Cc1cccc(CN(Cc2ccoc2C(=O)[O-])Cc2ccccn2)c1 ZINC000832967640 601228134 /nfs/dbraw/zinc/22/81/34/601228134.db2.gz LYEWBLRBIGDENK-UHFFFAOYSA-N -1 0 336.391 3.884 20 0 EHADRM CC(C)[C@@H](NC(=O)COc1ccccc1NC(=O)[O-])c1ccccc1 ZINC000826694275 601228237 /nfs/dbraw/zinc/22/82/37/601228237.db2.gz RVGVGEIKHYBOGH-GOSISDBHSA-N -1 0 342.395 3.669 20 0 EHADRM C[C@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1ccc(Cl)cc1Cl ZINC000237449646 601242424 /nfs/dbraw/zinc/24/24/24/601242424.db2.gz ADXLAAZJAISXQJ-QMMMGPOBSA-N -1 0 339.178 3.578 20 0 EHADRM CC(C)COc1ccc(NC(=O)c2ccnc(C(=O)[O-])c2)cc1Cl ZINC000236688701 601243072 /nfs/dbraw/zinc/24/30/72/601243072.db2.gz OFVONZQDIDAXJG-UHFFFAOYSA-N -1 0 348.786 3.720 20 0 EHADRM Cc1ccc(NCc2ccc(C(=O)N3CCCC3)cc2)cc1C(=O)[O-] ZINC000832952338 601251600 /nfs/dbraw/zinc/25/16/00/601251600.db2.gz YKEKWINJYVTNLL-UHFFFAOYSA-N -1 0 338.407 3.541 20 0 EHADRM CCO[C@H]1C[C@@H](N(C)c2nc(Cl)c(C(=O)[O-])s2)C12CCCC2 ZINC000829925112 601251884 /nfs/dbraw/zinc/25/18/84/601251884.db2.gz NKFNGVLWQHWCCA-ZJUUUORDSA-N -1 0 344.864 3.669 20 0 EHADRM O=C([O-])c1cc(Br)ccc1OC(=O)[C@@H]1CC12CCCC2 ZINC000833295859 601270092 /nfs/dbraw/zinc/27/00/92/601270092.db2.gz HDFUDCKDZXWTAP-NSHDSACASA-N -1 0 339.185 3.633 20 0 EHADRM CC(C)[C@H](C(=O)Nc1cc(C(=O)[O-])c[nH]c1=O)c1cccc(Cl)c1 ZINC000826676692 601277095 /nfs/dbraw/zinc/27/70/95/601277095.db2.gz JQHGZVKQQWGHRL-AWEZNQCLSA-N -1 0 348.786 3.517 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)/C(C)=C/c1ccc(F)cc1 ZINC000831912956 601277567 /nfs/dbraw/zinc/27/75/67/601277567.db2.gz IGYZPDSHONDLLB-PKNBQFBNSA-N -1 0 330.311 3.541 20 0 EHADRM CO[C@H](C)c1nc(C)c(C(=O)Nc2cccc(NC(=O)[O-])c2)s1 ZINC000831501718 601277675 /nfs/dbraw/zinc/27/76/75/601277675.db2.gz WVFJBRINUVCBQZ-SECBINFHSA-N -1 0 335.385 3.501 20 0 EHADRM C[C@]1(CCc2ccccc2)CCN(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)C1 ZINC000262525460 601278567 /nfs/dbraw/zinc/27/85/67/601278567.db2.gz GJVJIMFFDNMGHJ-WFXMLNOXSA-N -1 0 343.467 3.749 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000829014155 601279552 /nfs/dbraw/zinc/27/95/52/601279552.db2.gz DLWWSMHDQMXUJU-MRXNPFEDSA-N -1 0 329.352 3.848 20 0 EHADRM Cc1ccc(C(=O)NCc2c3ccccc3sc2C(=O)[O-])c(F)c1 ZINC000832911685 601283228 /nfs/dbraw/zinc/28/32/28/601283228.db2.gz KFRCEGAXDQNCOT-UHFFFAOYSA-N -1 0 343.379 3.977 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000236877180 601283598 /nfs/dbraw/zinc/28/35/98/601283598.db2.gz QIRMDPYLAIYHRV-GOSISDBHSA-N -1 0 341.407 3.808 20 0 EHADRM CC[C@](NC(=O)C/C=C\c1cccc(F)c1)(C(=O)[O-])c1ccccc1 ZINC000485369651 601284191 /nfs/dbraw/zinc/28/41/91/601284191.db2.gz JDVLERZHVCUINW-YHAGJJCESA-N -1 0 341.382 3.735 20 0 EHADRM CN(C(=O)C/C=C/c1cccc(F)c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000830471326 601286455 /nfs/dbraw/zinc/28/64/55/601286455.db2.gz BMOMYDMLTPVTDX-JHTBKMLMSA-N -1 0 327.355 3.513 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cccc2[nH]ccc21)c1cccc(Cl)c1 ZINC000776678254 601290906 /nfs/dbraw/zinc/29/09/06/601290906.db2.gz PQENPUHVWLGCDT-MRXNPFEDSA-N -1 0 342.782 3.767 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ccc(C(=O)[O-])nc1 ZINC000237547326 601292110 /nfs/dbraw/zinc/29/21/10/601292110.db2.gz XRRGLYGXHQYZBH-RYUDHWBXSA-N -1 0 346.814 3.697 20 0 EHADRM Cc1cc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c2ccccc2n1 ZINC000178172714 601295383 /nfs/dbraw/zinc/29/53/83/601295383.db2.gz SNSFAWMEDQKQEM-KUHUBIRLSA-N -1 0 348.402 3.735 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cc(Cl)ccc1F)c1ccccc1 ZINC000237524670 601298737 /nfs/dbraw/zinc/29/87/37/601298737.db2.gz GKVYZMLNQHFKNR-ZUZCIYMTSA-N -1 0 335.762 3.671 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(-c2ccsc2)nc1C ZINC000262970720 601306443 /nfs/dbraw/zinc/30/64/43/601306443.db2.gz PRQGACYYLWZUQG-UHFFFAOYSA-N -1 0 346.452 3.882 20 0 EHADRM CCCc1ccccc1NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000324839406 601322602 /nfs/dbraw/zinc/32/26/02/601322602.db2.gz HVMOINXYAJUOLZ-RAXLEYEMSA-N -1 0 345.420 3.538 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000832850484 601322755 /nfs/dbraw/zinc/32/27/55/601322755.db2.gz JZSFBQWJEDSNDO-UHFFFAOYSA-N -1 0 332.356 3.638 20 0 EHADRM Cc1csc(C2(NC(=O)Nc3ccc(C(=O)[O-])c(C)c3)CCC2)n1 ZINC000832988571 601336960 /nfs/dbraw/zinc/33/69/60/601336960.db2.gz BANCNDUEURGTKB-UHFFFAOYSA-N -1 0 345.424 3.659 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NC[C@@H]2SCCc3ccccc32)cc1 ZINC000833139792 601337270 /nfs/dbraw/zinc/33/72/70/601337270.db2.gz NFGVWFJOFNEUAE-INIZCTEOSA-N -1 0 342.420 3.537 20 0 EHADRM O=C([O-])c1ccoc1CSc1ccccc1C(=O)OC1CCC1 ZINC000833351291 601342461 /nfs/dbraw/zinc/34/24/61/601342461.db2.gz KLDVCAHVIZYTGK-UHFFFAOYSA-N -1 0 332.377 3.979 20 0 EHADRM COCc1ccc(S[C@@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)cc1 ZINC000831817694 601348523 /nfs/dbraw/zinc/34/85/23/601348523.db2.gz RUJXXKSNUHSHKS-LBPRGKRZSA-N -1 0 347.436 3.840 20 0 EHADRM O=C([O-])CCN(C(=O)C/C=C\c1ccc(F)cc1)c1cccc(F)c1 ZINC000833231175 601350783 /nfs/dbraw/zinc/35/07/83/601350783.db2.gz CJIPCVYTCGSNGU-IWQZZHSRSA-N -1 0 345.345 3.876 20 0 EHADRM COc1cccc(/C(C)=C\C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000832529050 601359515 /nfs/dbraw/zinc/35/95/15/601359515.db2.gz VGZFIOGGAYQMAG-ANGAQGJPSA-N -1 0 344.338 3.607 20 0 EHADRM C[C@@H](c1nc(COc2cccc(C(=O)[O-])c2)no1)c1cccc(F)c1 ZINC000827943088 601367060 /nfs/dbraw/zinc/36/70/60/601367060.db2.gz XBNPYEIRMWVNRW-LLVKDONJSA-N -1 0 342.326 3.638 20 0 EHADRM C[C@@H]1CCc2ccccc2N1C(=O)COc1ccccc1NC(=O)[O-] ZINC000828310863 601368755 /nfs/dbraw/zinc/36/87/55/601368755.db2.gz PSSLEQSSJWBXBE-CYBMUJFWSA-N -1 0 340.379 3.523 20 0 EHADRM Cc1nc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)sc1C(=O)[O-] ZINC000833002299 601383126 /nfs/dbraw/zinc/38/31/26/601383126.db2.gz UFKPMSBHWHDILM-UHFFFAOYSA-N -1 0 335.772 3.537 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)CC2CCCCCC2)cc1 ZINC000678974179 601391611 /nfs/dbraw/zinc/39/16/11/601391611.db2.gz VJPSOMYVOKNAEL-QGZVFWFLSA-N -1 0 333.428 3.688 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000828757942 601391924 /nfs/dbraw/zinc/39/19/24/601391924.db2.gz FGRVMZJVASTXSN-LBPRGKRZSA-N -1 0 345.395 3.736 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CNc1ccc(Oc2ccc(C)nn2)cc1 ZINC000832953290 601392076 /nfs/dbraw/zinc/39/20/76/601392076.db2.gz FTVWVRSKZHDIRM-UHFFFAOYSA-N -1 0 339.351 3.789 20 0 EHADRM C/C(=C/C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-])c1ccc(F)cc1 ZINC000237750658 601393021 /nfs/dbraw/zinc/39/30/21/601393021.db2.gz QMOSTZFPCBNYSM-IJRZETMFSA-N -1 0 341.382 3.807 20 0 EHADRM Cc1ccc2cc(C(=O)N[C@H](c3ccccc3)[C@H](C)C(=O)[O-])[nH]c2c1 ZINC000237628831 601394342 /nfs/dbraw/zinc/39/43/42/601394342.db2.gz BYHRVARUYSBNAT-UGSOOPFHSA-N -1 0 336.391 3.668 20 0 EHADRM COc1ccc(NC(=O)[C@@H](C)c2ccc(Cl)s2)c(C(=O)[O-])c1 ZINC000561765016 601400070 /nfs/dbraw/zinc/40/00/70/601400070.db2.gz IBHPJDGRHIIDHZ-QMMMGPOBSA-N -1 0 339.800 3.851 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2ncc(-c3ccccc3)s2)CCCC1 ZINC000833135528 601407052 /nfs/dbraw/zinc/40/70/52/601407052.db2.gz WLLLVNVGVZXCOC-UHFFFAOYSA-N -1 0 345.424 3.577 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000828758081 601407612 /nfs/dbraw/zinc/40/76/12/601407612.db2.gz GSUDOMWAEXAQPP-RDTXWAMCSA-N -1 0 341.407 3.762 20 0 EHADRM C/C(=C\COC(=O)c1ccccc1SCc1ccco1)C(=O)[O-] ZINC000825781088 601412926 /nfs/dbraw/zinc/41/29/26/601412926.db2.gz PFXIPCKVKMIHPD-XYOKQWHBSA-N -1 0 332.377 3.760 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000563722701 601415454 /nfs/dbraw/zinc/41/54/54/601415454.db2.gz KBNAJOFCXDJTNG-UGSOOPFHSA-N -1 0 329.396 3.502 20 0 EHADRM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000391269817 601420357 /nfs/dbraw/zinc/42/03/57/601420357.db2.gz KLJMKNIRXNZVCF-LBPRGKRZSA-N -1 0 338.835 3.687 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])s1)c1c(F)cccc1Cl ZINC000827695458 601426382 /nfs/dbraw/zinc/42/63/82/601426382.db2.gz UKJQTJTYPXJUFS-ZETCQYMHSA-N -1 0 327.764 3.730 20 0 EHADRM Cc1cc(C(=O)NC2(CC(=O)[O-])CCC2)c(C)n1C1CCCCC1 ZINC000262470282 601435500 /nfs/dbraw/zinc/43/55/00/601435500.db2.gz JKAQYJMHBLOMTA-UHFFFAOYSA-N -1 0 332.444 3.737 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000236884055 601445490 /nfs/dbraw/zinc/44/54/90/601445490.db2.gz DNYZGYRGVPABHU-OAHLLOKOSA-N -1 0 331.343 3.628 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)cc1 ZINC000828758669 601445926 /nfs/dbraw/zinc/44/59/26/601445926.db2.gz NHRLGOHUJNWDAA-CYBMUJFWSA-N -1 0 339.391 3.765 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Oc2c(OC)cccc2C(=O)[O-])cc1 ZINC000832220888 601447135 /nfs/dbraw/zinc/44/71/35/601447135.db2.gz KMBPAUXYWMINAK-GFCCVEGCSA-N -1 0 344.363 3.501 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(F)c(F)c2F)ccc1Cl ZINC000075285636 601447407 /nfs/dbraw/zinc/44/74/07/601447407.db2.gz SDZHBPYNUXGLML-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Nc2cccc(F)c2C(=O)[O-])cc1 ZINC000832221091 601447944 /nfs/dbraw/zinc/44/79/44/601447944.db2.gz TYVLGFPEPRFEQZ-LLVKDONJSA-N -1 0 331.343 3.665 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)Cc2coc3cc(F)ccc23)ccc1F ZINC000833282415 601451211 /nfs/dbraw/zinc/45/12/11/601451211.db2.gz GNZWIMTZZCKJOC-UHFFFAOYSA-N -1 0 346.289 3.982 20 0 EHADRM Cc1ccc(CNC(=O)[C@H](C)SCc2ccc(C(=O)[O-])cc2)cc1 ZINC000832932590 601453766 /nfs/dbraw/zinc/45/37/66/601453766.db2.gz QGAHTQNFBQNPRY-AWEZNQCLSA-N -1 0 343.448 3.631 20 0 EHADRM Cc1oc(CS[C@H](C)C(=O)NCc2ccc(C)cc2)cc1C(=O)[O-] ZINC000832932477 601456117 /nfs/dbraw/zinc/45/61/17/601456117.db2.gz LYILONAJAZDSNI-CYBMUJFWSA-N -1 0 347.436 3.533 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000237112981 601457616 /nfs/dbraw/zinc/45/76/16/601457616.db2.gz JMQZNTNBVKXESW-BDJLRTHQSA-N -1 0 345.361 3.644 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 ZINC000767051548 601457655 /nfs/dbraw/zinc/45/76/55/601457655.db2.gz MYUPJVSREBFZBR-LJQANCHMSA-N -1 0 343.379 3.522 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)CCCOc1cccc2ccccc21 ZINC000237091852 601458488 /nfs/dbraw/zinc/45/84/88/601458488.db2.gz OWZQRXREZVZWQB-HXUWFJFHSA-N -1 0 343.423 3.758 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC000829014162 601468873 /nfs/dbraw/zinc/46/88/73/601468873.db2.gz DNMSQKNUGWUXHF-SJORKVTESA-N -1 0 328.364 3.522 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC000829014098 601471335 /nfs/dbraw/zinc/47/13/35/601471335.db2.gz BVOHIKWXSPQBAK-DOTOQJQBSA-N -1 0 328.364 3.522 20 0 EHADRM O=C([O-])[C@H](OC(=O)C/C=C/c1cccc(F)c1)c1ccccc1F ZINC000833095946 601472336 /nfs/dbraw/zinc/47/23/36/601472336.db2.gz FAXCZCBFMSIYNF-UKINESCASA-N -1 0 332.302 3.737 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)C[C@H]1CCCc2ccccc21 ZINC000362663970 601472518 /nfs/dbraw/zinc/47/25/18/601472518.db2.gz LMSZTRUUTZLGGW-DYESRHJHSA-N -1 0 349.430 3.707 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)OCc2ccc(F)cc2C(=O)[O-])cc1 ZINC000832221122 601474326 /nfs/dbraw/zinc/47/43/26/601474326.db2.gz VMCSBMFBBRLNLF-LBPRGKRZSA-N -1 0 346.354 3.770 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)/C=C/Sc1ccccc1 ZINC000833193953 601477567 /nfs/dbraw/zinc/47/75/67/601477567.db2.gz SOKROSSYQBOQPH-IYPOZPNPSA-N -1 0 339.416 3.503 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)Nc2cc(F)ccc2Cl)CC1 ZINC000318520242 601486052 /nfs/dbraw/zinc/48/60/52/601486052.db2.gz HXQAFIUYMJYRQJ-UHFFFAOYSA-N -1 0 328.771 3.588 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)CC/C=C/c1ccccc1 ZINC000486036194 601496193 /nfs/dbraw/zinc/49/61/93/601496193.db2.gz JPHGCCMQBOLLQG-KUIFVVTRSA-N -1 0 335.403 3.691 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000262202548 601501422 /nfs/dbraw/zinc/50/14/22/601501422.db2.gz UUIQISWDNIFIFJ-OAHLLOKOSA-N -1 0 349.858 3.622 20 0 EHADRM Cc1ccc(/C=C\CC(=O)NC[C@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000832928766 601501476 /nfs/dbraw/zinc/50/14/76/601501476.db2.gz WIYVKMRDJDQLSI-LLHWWHOWSA-N -1 0 337.419 3.691 20 0 EHADRM C[C@H]1CC/C(=C\C(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)C1 ZINC000828207188 601502142 /nfs/dbraw/zinc/50/21/42/601502142.db2.gz IXEBQFUAMPNVHA-UMYFRRCYSA-N -1 0 331.397 3.521 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1sc2cc(F)ccc2c1Cl)C1CC1 ZINC000317404942 601519866 /nfs/dbraw/zinc/51/98/66/601519866.db2.gz OICPYTGFXXXTHW-SNVBAGLBSA-N -1 0 341.791 3.677 20 0 EHADRM Cc1ccccc1C1(C(=O)N[C@H](CC(=O)[O-])C2CC2)CCCCC1 ZINC000832981189 601530741 /nfs/dbraw/zinc/53/07/41/601530741.db2.gz BNWAQYBDRSUUMR-QGZVFWFLSA-N -1 0 329.440 3.566 20 0 EHADRM CCN(C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1)c1ccccc1C ZINC000829602475 601531003 /nfs/dbraw/zinc/53/10/03/601531003.db2.gz OIQPHGATLJHIBY-UHFFFAOYSA-N -1 0 341.407 3.742 20 0 EHADRM Cc1cc(C)c2nc(C3CC3)cc(C(=O)N(CC(=O)[O-])C(C)C)c2c1 ZINC000190756099 601532823 /nfs/dbraw/zinc/53/28/23/601532823.db2.gz MCPCOABRSVYCKY-UHFFFAOYSA-N -1 0 340.423 3.664 20 0 EHADRM Cc1cc(C)cc(N(C)C(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)c1 ZINC000237082666 601534903 /nfs/dbraw/zinc/53/49/03/601534903.db2.gz NQZCBFQRSOHEOK-UHFFFAOYSA-N -1 0 341.407 3.660 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000761641021 601536792 /nfs/dbraw/zinc/53/67/92/601536792.db2.gz ICEDQEGBZDCOBP-INIZCTEOSA-N -1 0 337.375 3.878 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1Cc1coc(-c2ccccc2)n1 ZINC000392724179 601542378 /nfs/dbraw/zinc/54/23/78/601542378.db2.gz RKLDEVXYFXZBSY-SFHVURJKSA-N -1 0 334.375 3.526 20 0 EHADRM CC(C)C[C@@H](C)OCCC(=O)Oc1cc(Cl)ccc1C(=O)[O-] ZINC000826763522 601597874 /nfs/dbraw/zinc/59/78/74/601597874.db2.gz CKHRWWQHDJQOHR-LLVKDONJSA-N -1 0 328.792 3.785 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)OCc2cc3c(cccc3Cl)[nH]2)C1 ZINC000833187021 601599820 /nfs/dbraw/zinc/59/98/20/601599820.db2.gz HZKWUUPRRUEZAL-GHMZBOCLSA-N -1 0 335.787 3.756 20 0 EHADRM O=C([O-])[C@H](OC(=O)Cc1c(F)cccc1F)c1cccc(Cl)c1 ZINC000833116953 601600302 /nfs/dbraw/zinc/60/03/02/601600302.db2.gz UKTXYULLVZVORD-OAHLLOKOSA-N -1 0 340.709 3.530 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cc(F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000833350043 601608575 /nfs/dbraw/zinc/60/85/75/601608575.db2.gz IKDQPSPWEILDFD-CYBMUJFWSA-N -1 0 342.244 3.827 20 0 EHADRM C[C@H](OC(=O)CCc1cn(C)c2ccccc12)c1ccc(C(=O)[O-])o1 ZINC000827833616 601608859 /nfs/dbraw/zinc/60/88/59/601608859.db2.gz KXRXQPKYVBHVFX-LBPRGKRZSA-N -1 0 341.363 3.707 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)Nc1ccc(F)c(F)c1)c1ccccc1 ZINC000826038962 601614383 /nfs/dbraw/zinc/61/43/83/601614383.db2.gz KBWZDDQBRSSACG-BONVTDFDSA-N -1 0 334.322 3.548 20 0 EHADRM Cc1ccc(NC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1C ZINC000832945890 601614595 /nfs/dbraw/zinc/61/45/95/601614595.db2.gz ARSGXIFNOFNFSW-PBHICJAKSA-N -1 0 326.396 3.887 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c(C)c1 ZINC000832946562 601614799 /nfs/dbraw/zinc/61/47/99/601614799.db2.gz IWHPORDCCQJFNA-WMLDXEAASA-N -1 0 326.396 3.887 20 0 EHADRM CSc1ccc(NC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000832780883 601616412 /nfs/dbraw/zinc/61/64/12/601616412.db2.gz KNCXQESHVHYVKO-LRDDRELGSA-N -1 0 344.436 3.992 20 0 EHADRM COc1ccc2oc(C(=O)Nc3ccccc3CC(=O)[O-])c(C)c2c1 ZINC000237311734 601616929 /nfs/dbraw/zinc/61/69/29/601616929.db2.gz LCJQCMVYFNCXLL-UHFFFAOYSA-N -1 0 339.347 3.629 20 0 EHADRM CCc1cccc2c(CC(=O)Nc3ccccc3CC(=O)[O-])c[nH]c21 ZINC000362700770 601617521 /nfs/dbraw/zinc/61/75/21/601617521.db2.gz VMLIVGRDFWMOBT-UHFFFAOYSA-N -1 0 336.391 3.539 20 0 EHADRM CCOc1cccc(NC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000830104604 601620747 /nfs/dbraw/zinc/62/07/47/601620747.db2.gz JYVLTTWRNNZQDN-GUYCJALGSA-N -1 0 342.395 3.669 20 0 EHADRM COc1cc(C)ccc1NC(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000831966527 601621394 /nfs/dbraw/zinc/62/13/94/601621394.db2.gz AKQPNOAXOLXOLF-CXAGYDPISA-N -1 0 342.395 3.587 20 0 EHADRM Cc1cccc(CCC(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000578389314 601621691 /nfs/dbraw/zinc/62/16/91/601621691.db2.gz KVIYGUYMWVFBJB-KRWDZBQOSA-N -1 0 345.826 3.913 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)Nc1cccc(-c2cccs2)c1)C1CC1 ZINC000833198997 601622689 /nfs/dbraw/zinc/62/26/89/601622689.db2.gz MSHQTJQJRHOMLJ-CQSZACIVSA-N -1 0 330.409 3.790 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000262123417 601623524 /nfs/dbraw/zinc/62/35/24/601623524.db2.gz LOBAXMFFNLJUTQ-UHFFFAOYSA-N -1 0 341.860 3.779 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N(CC2CCC2)CC(F)(F)F)cc1 ZINC000238061183 601624679 /nfs/dbraw/zinc/62/46/79/601624679.db2.gz OUVUGKBNYXGONW-UHFFFAOYSA-N -1 0 343.345 3.508 20 0 EHADRM Cc1nc(C(=O)[O-])cn1CCCCOc1ccccc1C(F)(F)F ZINC000832996591 601638851 /nfs/dbraw/zinc/63/88/51/601638851.db2.gz YLDSXSBEMOSFEC-UHFFFAOYSA-N -1 0 342.317 3.768 20 0 EHADRM CCCCC[C@H](NC(=O)c1sc2nccc(C)c2c1C)C(=O)[O-] ZINC000829340423 601648597 /nfs/dbraw/zinc/64/85/97/601648597.db2.gz OXSKZRSJAYGUPQ-LBPRGKRZSA-N -1 0 334.441 3.676 20 0 EHADRM Cc1occc1-c1nnc(SCc2ccc(C(=O)[O-])c(F)c2)o1 ZINC000833030151 601671905 /nfs/dbraw/zinc/67/19/05/601671905.db2.gz QZIKPKCETFPGOD-UHFFFAOYSA-N -1 0 334.328 3.768 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(SCc2ccccc2)cc1)C(=O)[O-] ZINC000236978624 601676229 /nfs/dbraw/zinc/67/62/29/601676229.db2.gz WWZRIQFTQJRLBS-MRXNPFEDSA-N -1 0 329.421 3.572 20 0 EHADRM Cc1cc(NC(=O)[C@H](C)CSc2ccc(F)cc2)c(C(=O)[O-])[nH]1 ZINC000832893640 601676267 /nfs/dbraw/zinc/67/62/67/601676267.db2.gz VRPCGCVENBEFNU-SECBINFHSA-N -1 0 336.388 3.527 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(-c2ccc(C)c(C)c2)cc1F)C(=O)[O-] ZINC000236978817 601677003 /nfs/dbraw/zinc/67/70/03/601677003.db2.gz IZMNJLBFBJEZON-QGZVFWFLSA-N -1 0 329.371 3.703 20 0 EHADRM CCCOc1ccc(NC(=O)NCC2(C(=O)[O-])CCCC2)c(C)c1 ZINC000829532555 601697927 /nfs/dbraw/zinc/69/79/27/601697927.db2.gz RJDOUCHXFNURBT-UHFFFAOYSA-N -1 0 334.416 3.550 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(C(=O)NCC(C)(C)C(=O)[O-])cc1F ZINC000237648580 601712470 /nfs/dbraw/zinc/71/24/70/601712470.db2.gz YZKYWKJPYXVESB-UHFFFAOYSA-N -1 0 347.361 3.781 20 0 EHADRM CC(C)OCc1ccc(C(=O)OCc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000827033940 601718477 /nfs/dbraw/zinc/71/84/77/601718477.db2.gz WZIQHMRRWFLGFE-UHFFFAOYSA-N -1 0 346.354 3.806 20 0 EHADRM C/C(=C\C(=O)OCc1ccc(C(=O)[O-])c(F)c1)c1ccc(F)cc1 ZINC000825723983 601725432 /nfs/dbraw/zinc/72/54/32/601725432.db2.gz GGRQWVWEVNYXKK-DHZHZOJOSA-N -1 0 332.302 3.810 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000832590126 601726651 /nfs/dbraw/zinc/72/66/51/601726651.db2.gz ZNHQMNNBLDOKRN-XFXZXTDPSA-N -1 0 344.338 3.679 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2cc(-c3ccccc3)ns2)CCCC1 ZINC000833136644 601728494 /nfs/dbraw/zinc/72/84/94/601728494.db2.gz SXEWWASQDYXPHE-UHFFFAOYSA-N -1 0 345.424 3.577 20 0 EHADRM COc1ccc([C@@H](C)C(=O)OCc2cc(C(=O)[O-])sc2C)cc1 ZINC000832216809 601728686 /nfs/dbraw/zinc/72/86/86/601728686.db2.gz QDJAGGOOFNLWKX-SNVBAGLBSA-N -1 0 334.393 3.610 20 0 EHADRM O=C([O-])CCCc1csc(NC(=O)C/C=C/c2ccc(F)cc2)n1 ZINC000833229366 601742709 /nfs/dbraw/zinc/74/27/09/601742709.db2.gz YWLXKELMFIAKMQ-HNQUOIGGSA-N -1 0 348.399 3.732 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2ccccc2s1)c1ccccc1F ZINC000678985317 601743654 /nfs/dbraw/zinc/74/36/54/601743654.db2.gz CZQOEYJNXNVGIE-HNNXBMFYSA-N -1 0 329.352 3.596 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC000324792552 601754146 /nfs/dbraw/zinc/75/41/46/601754146.db2.gz MXIPOKQOHDSXOG-OAHLLOKOSA-N -1 0 333.359 3.644 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2ccc(CC(=O)[O-])cc2)cc1F ZINC000325539876 601786551 /nfs/dbraw/zinc/78/65/51/601786551.db2.gz UZGCLWFNKIFBHT-LBPRGKRZSA-N -1 0 330.359 3.644 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1F ZINC000832920572 601794611 /nfs/dbraw/zinc/79/46/11/601794611.db2.gz DEVZRVSNZCOUTJ-LBPRGKRZSA-N -1 0 345.374 3.784 20 0 EHADRM COc1cccc([C@H](C)CC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c1 ZINC000237324366 601799794 /nfs/dbraw/zinc/79/97/94/601799794.db2.gz VWZXFGOJGQXLCC-KDOFPFPSSA-N -1 0 341.407 3.521 20 0 EHADRM COCc1ccc(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])cc1 ZINC000831813059 601807205 /nfs/dbraw/zinc/80/72/05/601807205.db2.gz KLFMQLRGYXGBDW-UHFFFAOYSA-N -1 0 331.393 3.722 20 0 EHADRM C[C@H](NC(=O)CNc1cccc(C(=O)[O-])c1)c1cccc2ccccc21 ZINC000827636365 601810227 /nfs/dbraw/zinc/81/02/27/601810227.db2.gz LWNABCVMLJZFMT-AWEZNQCLSA-N -1 0 348.402 3.827 20 0 EHADRM C[C@@H](C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccc2ccccc2c1 ZINC000825982848 601812248 /nfs/dbraw/zinc/81/22/48/601812248.db2.gz MQYSKJHHNQBSHQ-KDOFPFPSSA-N -1 0 337.419 3.657 20 0 EHADRM COC(=O)c1cc(CSCc2ccc(C(=O)[O-])c(F)c2)oc1C ZINC000831247568 601813026 /nfs/dbraw/zinc/81/30/26/601813026.db2.gz CGWLJJKETNTLCR-UHFFFAOYSA-N -1 0 338.356 3.645 20 0 EHADRM CC(C)C[C@H](C)N(C)C(=O)CSCc1ccc(C(=O)[O-])c(F)c1 ZINC000826759495 601813730 /nfs/dbraw/zinc/81/37/30/601813730.db2.gz HFSOWKKCZQCMEC-LBPRGKRZSA-N -1 0 341.448 3.650 20 0 EHADRM CC[C@H]1CCCCN1C(=O)CSCc1ccc(C(=O)[O-])c(F)c1 ZINC000829118969 601815083 /nfs/dbraw/zinc/81/50/83/601815083.db2.gz LXZKMSZNQKXDHS-ZDUSSCGKSA-N -1 0 339.432 3.548 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)Cc2cc(Cl)ccc2Cl)CC1 ZINC000538586910 601815705 /nfs/dbraw/zinc/81/57/05/601815705.db2.gz WWSLNBMTOXLDJN-UHFFFAOYSA-N -1 0 344.238 3.639 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000538585241 601816536 /nfs/dbraw/zinc/81/65/36/601816536.db2.gz BMJWGMCBWTYXBH-CQSZACIVSA-N -1 0 335.469 3.518 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)CCCc2ccc(Cl)cc2)CC1 ZINC000582114077 601817784 /nfs/dbraw/zinc/81/77/84/601817784.db2.gz QOSNUEIATCGTQE-UHFFFAOYSA-N -1 0 337.847 3.766 20 0 EHADRM CCCCOc1ccc(C(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000324242497 601819303 /nfs/dbraw/zinc/81/93/03/601819303.db2.gz BDWRJXHSMVXWHO-UHFFFAOYSA-N -1 0 333.428 3.583 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000324268973 601821070 /nfs/dbraw/zinc/82/10/70/601821070.db2.gz KCAOPXJKPFGJJB-UHFFFAOYSA-N -1 0 333.359 3.597 20 0 EHADRM CC(C)[C@@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccccc1 ZINC000659392687 601823793 /nfs/dbraw/zinc/82/37/93/601823793.db2.gz JTQOOTGVJIIGQU-GOSISDBHSA-N -1 0 332.444 3.670 20 0 EHADRM Cn1c(SCc2ccc(C(=O)[O-])s2)nnc1-c1ccccc1F ZINC000833038959 601845343 /nfs/dbraw/zinc/84/53/43/601845343.db2.gz AXDBUOOZTDPZDJ-UHFFFAOYSA-N -1 0 349.412 3.673 20 0 EHADRM C[C@@H](SCc1ccc(C(=O)[O-])s1)C(=O)NCC1CCCCC1 ZINC000827909272 601847242 /nfs/dbraw/zinc/84/72/42/601847242.db2.gz WHTZKUUPMFTCHF-LLVKDONJSA-N -1 0 341.498 3.765 20 0 EHADRM CC[C@H](NC(=O)NCc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000828951242 601848857 /nfs/dbraw/zinc/84/88/57/601848857.db2.gz HITQHDQCXKRVHN-INIZCTEOSA-N -1 0 346.814 3.989 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(OCC(=O)[O-])cc2)c(Cl)cc1F ZINC000354180018 601863042 /nfs/dbraw/zinc/86/30/42/601863042.db2.gz PQWAQQTVBAYBHL-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM O=C([O-])NC1CCC(C(=O)N2CCCCC[C@@H]2c2ccccc2)CC1 ZINC000740550928 601871605 /nfs/dbraw/zinc/87/16/05/601871605.db2.gz CIPWFDJPEWELMY-DAWZGUTISA-N -1 0 344.455 3.957 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)CCCc2cccs2)cc1 ZINC000833264435 601871658 /nfs/dbraw/zinc/87/16/58/601871658.db2.gz RJBHLUBMWYZULC-UHFFFAOYSA-N -1 0 336.434 3.853 20 0 EHADRM CCC[C@H](NC(=O)[O-])C(=O)Nc1ccccc1COc1ccccc1 ZINC000739324855 601885551 /nfs/dbraw/zinc/88/55/51/601885551.db2.gz FKBGBMZMDFNQLN-KRWDZBQOSA-N -1 0 342.395 3.640 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000830363029 601886942 /nfs/dbraw/zinc/88/69/42/601886942.db2.gz NEBAGCPGOOECSJ-BDJLRTHQSA-N -1 0 335.425 3.564 20 0 EHADRM CC(C)(C(=O)NCc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000236716251 601923602 /nfs/dbraw/zinc/92/36/02/601923602.db2.gz QCESRYULYTUHJW-UHFFFAOYSA-N -1 0 331.799 3.632 20 0 EHADRM COc1ccc(Cl)cc1CN(C)Cc1ccc(C(=O)[O-])s1 ZINC000832367840 601938997 /nfs/dbraw/zinc/93/89/97/601938997.db2.gz LAHHEPOGUHHQOO-UHFFFAOYSA-N -1 0 325.817 3.740 20 0 EHADRM O=C([O-])c1ccc(CN[C@@H](c2nccs2)c2ccccc2)s1 ZINC000833315117 601948797 /nfs/dbraw/zinc/94/87/97/601948797.db2.gz SWYRVJJLKFZEON-CQSZACIVSA-N -1 0 330.434 3.782 20 0 EHADRM O=C([O-])c1cnc(/C=C/c2ccc(Br)c(F)c2)s1 ZINC000477381626 601950628 /nfs/dbraw/zinc/95/06/28/601950628.db2.gz NEQSFJGTJSPLJE-DUXPYHPUSA-N -1 0 328.162 3.913 20 0 EHADRM O=C([O-])Cc1cccc(NCc2ncc(-c3cccc(F)c3)o2)c1 ZINC000819585791 601968596 /nfs/dbraw/zinc/96/85/96/601968596.db2.gz IGOCABXNPAFELO-UHFFFAOYSA-N -1 0 326.327 3.720 20 0 EHADRM O=C([O-])c1cccc(COC(=O)c2cncc(-c3ccccc3)c2)c1 ZINC000833329922 601982421 /nfs/dbraw/zinc/98/24/21/601982421.db2.gz WEDHWZPYBRJBNM-UHFFFAOYSA-N -1 0 333.343 3.804 20 0 EHADRM CO[C@H](CNC(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1Cl ZINC000831520155 601983036 /nfs/dbraw/zinc/98/30/36/601983036.db2.gz WEUWPZKXYSCWIT-OAHLLOKOSA-N -1 0 348.786 3.547 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)N3CC[C@](C)(C(=O)[O-])C3)cc2s1 ZINC000263468448 601992373 /nfs/dbraw/zinc/99/23/73/601992373.db2.gz GYECIRABEJRSQZ-KRWDZBQOSA-N -1 0 347.440 3.748 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)cn1 ZINC000740706855 601992585 /nfs/dbraw/zinc/99/25/85/601992585.db2.gz ATLUAIYRFNRONV-QWHCGFSZSA-N -1 0 331.759 3.567 20 0 EHADRM Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000740210945 601994667 /nfs/dbraw/zinc/99/46/67/601994667.db2.gz XCLPENUNJVXSDR-UHFFFAOYSA-N -1 0 348.362 3.794 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cn1 ZINC000740712342 601996983 /nfs/dbraw/zinc/99/69/83/601996983.db2.gz OQGLNJDNHMTBID-UHFFFAOYSA-N -1 0 326.139 3.731 20 0 EHADRM C[C@H](C(=O)N(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1)C1CCCC1 ZINC000825966480 601999938 /nfs/dbraw/zinc/99/99/38/601999938.db2.gz DRDDYACWSMRCEV-VFZGTOFNSA-N -1 0 343.345 3.514 20 0 EHADRM CCCN(C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000829453502 602000015 /nfs/dbraw/zinc/00/00/15/602000015.db2.gz STTRLIVKNCPFDS-UHFFFAOYSA-N -1 0 330.306 3.810 20 0 EHADRM Cc1ccc(-c2nc(C(=O)OCc3ccc(C(=O)[O-])s3)cs2)o1 ZINC000832907533 602003938 /nfs/dbraw/zinc/00/39/38/602003938.db2.gz YSEJSZVMYWSORU-UHFFFAOYSA-N -1 0 349.389 3.828 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)CC(c2ccccc2)c2ccccc2)C1 ZINC000237640374 602004763 /nfs/dbraw/zinc/00/47/63/602004763.db2.gz MTBMXIORNXCUHZ-NRFANRHFSA-N -1 0 337.419 3.532 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)s1 ZINC000833313851 602011868 /nfs/dbraw/zinc/01/18/68/602011868.db2.gz DNINJLSQMOAWIZ-MNOVXSKESA-N -1 0 338.331 3.571 20 0 EHADRM CC[C@H](CC(=O)N(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1)C(C)C ZINC000828770302 602017151 /nfs/dbraw/zinc/01/71/51/602017151.db2.gz IOGSTSVIHOAXTL-HWPZZCPQSA-N -1 0 345.361 3.760 20 0 EHADRM O=C([O-])Nc1cc(C(=O)OCc2ccccn2)cc(C(F)(F)F)c1 ZINC000833283464 602033934 /nfs/dbraw/zinc/03/39/34/602033934.db2.gz KHWRRNSLBHJLAM-UHFFFAOYSA-N -1 0 340.257 3.547 20 0 EHADRM O=C([O-])Nc1cc(C(=O)OCc2cccnc2)cc(C(F)(F)F)c1 ZINC000833284585 602034005 /nfs/dbraw/zinc/03/40/05/602034005.db2.gz WSTXKYHDXGVSIH-UHFFFAOYSA-N -1 0 340.257 3.547 20 0 EHADRM Cc1noc(C)c1CN(C)[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000833020815 602034951 /nfs/dbraw/zinc/03/49/51/602034951.db2.gz CCCGCQSIRMZZMJ-CQSZACIVSA-N -1 0 343.210 3.856 20 0 EHADRM CCC[C@H]1CCCN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC000829256714 602037488 /nfs/dbraw/zinc/03/74/88/602037488.db2.gz SKJSACAJZUJHFA-AWEZNQCLSA-N -1 0 334.416 3.584 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])c1 ZINC000831494378 602037581 /nfs/dbraw/zinc/03/75/81/602037581.db2.gz ZSAZGMPQYYVNCH-XOKHGSTOSA-N -1 0 348.443 3.939 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])c1 ZINC000831494377 602037600 /nfs/dbraw/zinc/03/76/00/602037600.db2.gz ZSAZGMPQYYVNCH-KBRIMQKVSA-N -1 0 348.443 3.939 20 0 EHADRM COC[C@@H](OC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1)C(C)C ZINC000831660714 602039250 /nfs/dbraw/zinc/03/92/50/602039250.db2.gz PBVHAKZQCBNUKU-GFCCVEGCSA-N -1 0 349.305 3.623 20 0 EHADRM CC(C)N(C)c1cccc(NC(=O)NCc2cccc(C(=O)[O-])c2)c1 ZINC000669499287 602040227 /nfs/dbraw/zinc/04/02/27/602040227.db2.gz ZZDCYTVAJOTQNO-UHFFFAOYSA-N -1 0 341.411 3.551 20 0 EHADRM CCCCC[C@H](C)NC(=O)N1CCC[C@@H]([C@@H]2CCCN2C(=O)[O-])C1 ZINC000739330999 602055492 /nfs/dbraw/zinc/05/54/92/602055492.db2.gz OTOPBNYFIXIYML-XHSDSOJGSA-N -1 0 339.480 3.519 20 0 EHADRM CC1CC(C(=O)Nc2cc(C(=O)[O-])ccc2OCc2ccccc2)C1 ZINC000828157079 602062754 /nfs/dbraw/zinc/06/27/54/602062754.db2.gz YCXSGTFUPSTOSE-UHFFFAOYSA-N -1 0 339.391 3.948 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000263190182 602065473 /nfs/dbraw/zinc/06/54/73/602065473.db2.gz YBUCRBUQDHHVKJ-ZDUSSCGKSA-N -1 0 329.371 3.660 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000583788948 602069846 /nfs/dbraw/zinc/06/98/46/602069846.db2.gz JTYIUMAAQJCDJL-ZDUSSCGKSA-N -1 0 327.380 3.743 20 0 EHADRM Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000532875851 602072816 /nfs/dbraw/zinc/07/28/16/602072816.db2.gz UYSDKPQZUHZYJQ-GFCCVEGCSA-N -1 0 347.798 3.682 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)N1CC[C@@](C)(C(=O)[O-])C1)C(C)(C)C ZINC000263250313 602087134 /nfs/dbraw/zinc/08/71/34/602087134.db2.gz OVMKTTIFZQFMLA-HNAYVOBHSA-N -1 0 332.444 3.588 20 0 EHADRM C[C@H]1c2ccsc2CCN1C(=O)NCCCCCCCC(=O)[O-] ZINC000402950324 602094241 /nfs/dbraw/zinc/09/42/41/602094241.db2.gz DPXCJXGFIWLVHS-ZDUSSCGKSA-N -1 0 338.473 3.802 20 0 EHADRM C[C@@H](CC(=O)[O-])c1nc(-c2cccc(NC(=O)OC(C)(C)C)c2)no1 ZINC000205389831 602103276 /nfs/dbraw/zinc/10/32/76/602103276.db2.gz WULGDRYIHAVVCW-JTQLQIEISA-N -1 0 347.371 3.662 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc2sccc2c1)c1ccccc1 ZINC000345782683 602104377 /nfs/dbraw/zinc/10/43/77/602104377.db2.gz RFOLFEGSSXKAFJ-OAHLLOKOSA-N -1 0 325.389 3.847 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(C(F)(F)F)ccc2F)s1 ZINC000317135548 602104646 /nfs/dbraw/zinc/10/46/46/602104646.db2.gz AOZDGUBHKSSITJ-UHFFFAOYSA-N -1 0 333.262 3.857 20 0 EHADRM CCCC1(C(=O)Oc2ccc(C(=O)[O-])cc2Br)CC1 ZINC000829238402 602109151 /nfs/dbraw/zinc/10/91/51/602109151.db2.gz SCTNOOBSBLEAIT-UHFFFAOYSA-N -1 0 327.174 3.633 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)COC/C=C\c2ccccc2)c1 ZINC000833112853 602110546 /nfs/dbraw/zinc/11/05/46/602110546.db2.gz QFLKFDJKSXBCKP-DAXSKMNVSA-N -1 0 345.782 3.707 20 0 EHADRM Cc1csc(CNc2ccc(OCC(=O)[O-])c3ccccc23)n1 ZINC000832989409 602114464 /nfs/dbraw/zinc/11/44/64/602114464.db2.gz NFVPMVSFSBTYBL-UHFFFAOYSA-N -1 0 328.393 3.680 20 0 EHADRM Cc1ccc(-c2nnc(CNc3ccc(CCC(=O)[O-])cc3)o2)cc1 ZINC000832909352 602128700 /nfs/dbraw/zinc/12/87/00/602128700.db2.gz ZJMDJCKGOITXBA-UHFFFAOYSA-N -1 0 337.379 3.674 20 0 EHADRM CCOCCC1(CNC(=O)Nc2cc(C(=O)[O-])ccc2C)CCCC1 ZINC000829994834 602132753 /nfs/dbraw/zinc/13/27/53/602132753.db2.gz VYFDZIKEMSLIEO-UHFFFAOYSA-N -1 0 348.443 3.802 20 0 EHADRM CCC[C@@](C)(NC(=O)[O-])C(=O)N[C@H](C)c1ccccc1C(F)(F)F ZINC000739287460 602137345 /nfs/dbraw/zinc/13/73/45/602137345.db2.gz DIYQXIZDODGWIE-MEBBXXQBSA-N -1 0 346.349 3.709 20 0 EHADRM O=C([O-])NCCCC(=O)Nc1cc(F)ccc1Oc1ccccc1 ZINC000739960414 602154996 /nfs/dbraw/zinc/15/49/96/602154996.db2.gz KEUKMJHPIPTEFR-UHFFFAOYSA-N -1 0 332.331 3.604 20 0 EHADRM Cc1ccc(COc2cccc(NC(=O)[C@H](C)CC(=O)[O-])c2)cc1 ZINC000832935303 602158090 /nfs/dbraw/zinc/15/80/90/602158090.db2.gz YBBIFIJZEQJBDL-CQSZACIVSA-N -1 0 327.380 3.623 20 0 EHADRM COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)[C@H](C)CC(=O)[O-] ZINC000832367466 602169136 /nfs/dbraw/zinc/16/91/36/602169136.db2.gz FPEMDVQOILGIDB-RISCZKNCSA-N -1 0 341.835 3.663 20 0 EHADRM COc1ccccc1-c1ccc([C@@H](C)NC(=O)[C@@H](C)CC(=O)[O-])cc1 ZINC000832577289 602172603 /nfs/dbraw/zinc/17/26/03/602172603.db2.gz DWWUYKMMMAWMEE-UONOGXRCSA-N -1 0 341.407 3.650 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2ccccc2NC(=O)[O-])cc1 ZINC000740144779 602178862 /nfs/dbraw/zinc/17/88/62/602178862.db2.gz MMGFZVNMELOYQI-UHFFFAOYSA-N -1 0 328.368 3.883 20 0 EHADRM COc1cc2ccccc2cc1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000683331486 602183110 /nfs/dbraw/zinc/18/31/10/602183110.db2.gz YZHLPTLXHSLJHO-UHFFFAOYSA-N -1 0 327.361 3.860 20 0 EHADRM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000581921320 602187323 /nfs/dbraw/zinc/18/73/23/602187323.db2.gz KSYDSSCVXZDODT-HOCLYGCPSA-N -1 0 345.420 3.861 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739056001 602198904 /nfs/dbraw/zinc/19/89/04/602198904.db2.gz PBCLNOCONRKAKF-CYBMUJFWSA-N -1 0 344.436 3.715 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)CCSc2ccccc2F)c1 ZINC000740676879 602200528 /nfs/dbraw/zinc/20/05/28/602200528.db2.gz VYTMBJNEIQRSLT-UHFFFAOYSA-N -1 0 348.399 3.714 20 0 EHADRM Cc1ccc2c(CC(=O)Nc3cccc(CNC(=O)[O-])c3)coc2c1 ZINC000740160681 602201685 /nfs/dbraw/zinc/20/16/85/602201685.db2.gz VDHOLXUQENJENC-UHFFFAOYSA-N -1 0 338.363 3.690 20 0 EHADRM CC[C@]1(C)CCN(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)C1 ZINC000829050377 602202987 /nfs/dbraw/zinc/20/29/87/602202987.db2.gz QBNKEYLIJTWPFD-GOSISDBHSA-N -1 0 334.416 3.826 20 0 EHADRM CCCN(C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12)C1CC1 ZINC000829452937 602222277 /nfs/dbraw/zinc/22/22/77/602222277.db2.gz LRMUUJKPOQWGMR-UHFFFAOYSA-N -1 0 342.395 3.710 20 0 EHADRM CCC[C@H](C)N(C)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000829215303 602224063 /nfs/dbraw/zinc/22/40/63/602224063.db2.gz AHOQTBOPKQWPOZ-ZDUSSCGKSA-N -1 0 344.411 3.956 20 0 EHADRM C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000828245930 602228726 /nfs/dbraw/zinc/22/87/26/602228726.db2.gz PIBXFLAVZQHDNW-WFASDCNBSA-N -1 0 342.395 3.613 20 0 EHADRM Cc1ccc(NC(=O)c2cccn2C2CCN(C(=O)[O-])CC2)c(F)c1 ZINC000740140508 602231090 /nfs/dbraw/zinc/23/10/90/602231090.db2.gz BGZBJGPQLWSTKR-UHFFFAOYSA-N -1 0 345.374 3.503 20 0 EHADRM COc1cc(NC(=O)c2ccc(C(F)F)cc2)ccc1NC(=O)[O-] ZINC000739873117 602234911 /nfs/dbraw/zinc/23/49/11/602234911.db2.gz ZEMRAYWPLDVVBC-UHFFFAOYSA-N -1 0 336.294 3.975 20 0 EHADRM CCCc1nc(C)c(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])s1 ZINC000739379156 602238767 /nfs/dbraw/zinc/23/87/67/602238767.db2.gz OECXPDVHLZTLLB-UHFFFAOYSA-N -1 0 345.424 3.697 20 0 EHADRM CC[C@@H](Sc1nnc(-c2ccncc2)n1C1CCCCC1)C(=O)[O-] ZINC000829020462 602243210 /nfs/dbraw/zinc/24/32/10/602243210.db2.gz GICVHXMGLRVQNR-CQSZACIVSA-N -1 0 346.456 3.801 20 0 EHADRM Cc1ccc(NC(=O)c2cnc(-c3ccccc3)nc2C)c(C(=O)[O-])c1 ZINC000542517744 602246646 /nfs/dbraw/zinc/24/66/46/602246646.db2.gz MRUAEUFCUZAFSN-UHFFFAOYSA-N -1 0 347.374 3.711 20 0 EHADRM COc1ccc(C(C)(C)C(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000237160347 602247271 /nfs/dbraw/zinc/24/72/71/602247271.db2.gz CXLFCULEZGUQIE-UHFFFAOYSA-N -1 0 341.407 3.629 20 0 EHADRM Cc1cc(Nc2ccc3c(c2)CCN3C(=O)[O-])nc(-c2cccnc2)n1 ZINC000740088897 602256992 /nfs/dbraw/zinc/25/69/92/602256992.db2.gz IBAXBVHECBDKKF-UHFFFAOYSA-N -1 0 347.378 3.631 20 0 EHADRM COc1cc(NC(=O)C(C)(C)c2ccc(F)cc2)ccc1NC(=O)[O-] ZINC000739868684 602293097 /nfs/dbraw/zinc/29/30/97/602293097.db2.gz UVVLWTJHTGNRKD-UHFFFAOYSA-N -1 0 346.358 3.841 20 0 EHADRM O=C([O-])CCCCNC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F ZINC000238183213 602296754 /nfs/dbraw/zinc/29/67/54/602296754.db2.gz JTNYEOZSXIIDLN-XFXZXTDPSA-N -1 0 349.736 3.657 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F ZINC000237055731 602296777 /nfs/dbraw/zinc/29/67/77/602296777.db2.gz XCHOTJRZQDSQTI-XFXZXTDPSA-N -1 0 349.736 3.609 20 0 EHADRM CC[C@@H](Nc1ccccc1)C(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000739267167 602304745 /nfs/dbraw/zinc/30/47/45/602304745.db2.gz DRMDAUKSEINJEU-QGZVFWFLSA-N -1 0 341.411 3.626 20 0 EHADRM Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000738167354 602309768 /nfs/dbraw/zinc/30/97/68/602309768.db2.gz NRWVLXVBXWJKNB-UHFFFAOYSA-N -1 0 337.379 3.539 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)Nc1ccccc1Oc1cc(F)cc(F)c1 ZINC000827316914 602328208 /nfs/dbraw/zinc/32/82/08/602328208.db2.gz GCVQNBKQCCUVTN-SNVBAGLBSA-N -1 0 335.306 3.806 20 0 EHADRM CC[C@H](Cc1ccccc1)N(CC)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000540666870 602328966 /nfs/dbraw/zinc/32/89/66/602328966.db2.gz FTKCKMKGGUOOHH-GOSISDBHSA-N -1 0 325.408 3.868 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1cccc(C(=O)[O-])c1 ZINC000237026323 602329229 /nfs/dbraw/zinc/32/92/29/602329229.db2.gz URROSFPOXCBJFE-SFHVURJKSA-N -1 0 325.408 3.868 20 0 EHADRM CCCCCOc1ccc(C(=O)N(C)c2ncc(C(=O)[O-])s2)cc1 ZINC000829364201 602330180 /nfs/dbraw/zinc/33/01/80/602330180.db2.gz VYLRXEVFECLNCO-UHFFFAOYSA-N -1 0 348.424 3.687 20 0 EHADRM O=C([O-])c1sc2cccc(F)c2c1COC(=O)c1cncc(F)c1 ZINC000833352382 602345049 /nfs/dbraw/zinc/34/50/49/602345049.db2.gz ASXJNKGKQNESER-UHFFFAOYSA-N -1 0 349.314 3.630 20 0 EHADRM Cc1ccc(NC(=O)N(Cc2ccccc2)CC(F)F)cc1C(=O)[O-] ZINC000832945254 602354038 /nfs/dbraw/zinc/35/40/38/602354038.db2.gz SROYJQLLUIIMGX-UHFFFAOYSA-N -1 0 348.349 3.992 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000767200801 602356114 /nfs/dbraw/zinc/35/61/14/602356114.db2.gz LOXKPLLAJUYMAE-LLVKDONJSA-N -1 0 333.384 3.784 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)N[C@H]2COc3ccc(Cl)cc32)c1 ZINC000833289161 602363929 /nfs/dbraw/zinc/36/39/29/602363929.db2.gz PDSPHTMKDRDPMC-ZDUSSCGKSA-N -1 0 347.758 3.685 20 0 EHADRM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000828515299 602369940 /nfs/dbraw/zinc/36/99/40/602369940.db2.gz AGXLFTUEVQNKSP-QLJPJBMISA-N -1 0 328.343 3.579 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCC[C@H]2c2cccs2)cc1F ZINC000833318866 602373807 /nfs/dbraw/zinc/37/38/07/602373807.db2.gz FNZBSAYJLXNBIC-ZDUSSCGKSA-N -1 0 334.372 3.954 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N(CCC(F)(F)F)CC2CC2)cc1F ZINC000833318514 602376319 /nfs/dbraw/zinc/37/63/19/602376319.db2.gz HWAOYNLIHAIDBS-UHFFFAOYSA-N -1 0 348.296 3.720 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C1CCC(NC(=O)[O-])CC1 ZINC000739052693 602377702 /nfs/dbraw/zinc/37/77/02/602377702.db2.gz HYLGVINLWCWOGO-ZOODHJKOSA-N -1 0 338.835 3.686 20 0 EHADRM Cc1ccc([C@@H](C)CNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000832920672 602383369 /nfs/dbraw/zinc/38/33/69/602383369.db2.gz GWLYCXLPECNKLR-LBPRGKRZSA-N -1 0 330.359 3.758 20 0 EHADRM CCOc1ccc(CN(C)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000830075386 602388360 /nfs/dbraw/zinc/38/83/60/602388360.db2.gz RLFFBZPPLYNTLJ-UHFFFAOYSA-N -1 0 346.358 3.587 20 0 EHADRM Cc1cccc([C@H](C)CNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000832966502 602388727 /nfs/dbraw/zinc/38/87/27/602388727.db2.gz PAPHAPOBHVHPCA-GFCCVEGCSA-N -1 0 330.359 3.758 20 0 EHADRM C[C@]1(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CCc2ccccc2C1 ZINC000827975734 602394137 /nfs/dbraw/zinc/39/41/37/602394137.db2.gz DDFARSWALYDCRK-IBGZPJMESA-N -1 0 327.355 3.658 20 0 EHADRM Cc1nc(-c2ccsc2)ccc1C(=O)N(CC(=O)[O-])C1CCCC1 ZINC000621575894 602400517 /nfs/dbraw/zinc/40/05/17/602400517.db2.gz TVSZLORJDJNFOZ-UHFFFAOYSA-N -1 0 344.436 3.588 20 0 EHADRM O=C([O-])N[C@@H](CCc1nc(Cc2ccccc2)no1)c1ccccc1 ZINC000740541078 602405940 /nfs/dbraw/zinc/40/59/40/602405940.db2.gz VFWMICISOIHNHJ-INIZCTEOSA-N -1 0 337.379 3.602 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc([C@@H](C)Oc2ccc(F)cc2)n1 ZINC000738815535 602406753 /nfs/dbraw/zinc/40/67/53/602406753.db2.gz HGJTVLACDRQRSB-ZWNOBZJWSA-N -1 0 337.351 3.704 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(-c2ccc(Cl)cc2F)n1 ZINC000738817007 602408982 /nfs/dbraw/zinc/40/89/82/602408982.db2.gz NTBCKZFJAGXWTD-LLVKDONJSA-N -1 0 327.743 3.884 20 0 EHADRM CC(C)c1cccc(NC(=O)N2CCC(CN(C)C(=O)[O-])CC2)c1 ZINC000738876381 602409063 /nfs/dbraw/zinc/40/90/63/602409063.db2.gz KHDHHBNGOSZTJD-UHFFFAOYSA-N -1 0 333.432 3.664 20 0 EHADRM O=C([O-])N1CC[C@@H](CCNC(=O)c2sccc2-c2ccccc2)C1 ZINC000740429981 602412950 /nfs/dbraw/zinc/41/29/50/602412950.db2.gz RIEOSNVTUVYQQA-CYBMUJFWSA-N -1 0 344.436 3.535 20 0 EHADRM O=C([O-])NC1(c2noc(-c3csc(-c4ccccc4)n3)n2)CCC1 ZINC000740547779 602416983 /nfs/dbraw/zinc/41/69/83/602416983.db2.gz CFSCDYFBAHEKNY-UHFFFAOYSA-N -1 0 342.380 3.507 20 0 EHADRM CCCN(C(=S)Nc1cccc(Cl)c1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739343210 602431943 /nfs/dbraw/zinc/43/19/43/602431943.db2.gz DHPUGFHCNIDSBQ-CYBMUJFWSA-N -1 0 341.864 3.501 20 0 EHADRM CCC(CC)(CNC(=O)[O-])NC(=O)c1cccc(Cl)c1Cl ZINC000739254072 602453747 /nfs/dbraw/zinc/45/37/47/602453747.db2.gz HKYWTCAAQWEEAT-UHFFFAOYSA-N -1 0 333.215 3.550 20 0 EHADRM Cc1cc(CNC(=O)CC[C@H](NC(=O)[O-])c2ccccc2)ccc1F ZINC000740074664 602456136 /nfs/dbraw/zinc/45/61/36/602456136.db2.gz YEGUATSQSUAPRP-KRWDZBQOSA-N -1 0 344.386 3.539 20 0 EHADRM CCC(CC)(CNC(=O)[O-])NC(=S)Nc1cccc(Cl)c1C ZINC000739254921 602457723 /nfs/dbraw/zinc/45/77/23/602457723.db2.gz WAEVXMBOXHTQSW-UHFFFAOYSA-N -1 0 343.880 3.761 20 0 EHADRM C[C@H](CNC(=O)[O-])N(C)C(=S)Nc1ccccc1-c1ccccc1 ZINC000738942613 602458494 /nfs/dbraw/zinc/45/84/94/602458494.db2.gz WFKJFYKHFLKDKG-CYBMUJFWSA-N -1 0 343.452 3.638 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)Nc1ccc2ncccc2c1)c1ccccc1 ZINC000740539631 602460194 /nfs/dbraw/zinc/46/01/94/602460194.db2.gz KQVKTFYWXAINQK-GOSISDBHSA-N -1 0 349.390 3.962 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)Nc1cccc(F)c1F)c1ccccc1 ZINC000740538970 602465616 /nfs/dbraw/zinc/46/56/16/602465616.db2.gz GWXBEGREONDZKP-ZDUSSCGKSA-N -1 0 334.322 3.692 20 0 EHADRM CC(C)C[C@@H]1CCCN1C(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000738818988 602467404 /nfs/dbraw/zinc/46/74/04/602467404.db2.gz DJCGSQJEHRKKJD-IRXDYDNUSA-N -1 0 332.444 3.813 20 0 EHADRM COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739890141 602482475 /nfs/dbraw/zinc/48/24/75/602482475.db2.gz BDJYIUZZDDTHOW-LLVKDONJSA-N -1 0 346.358 3.724 20 0 EHADRM CCCOc1cccc(NC(=O)c2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000739374456 602484521 /nfs/dbraw/zinc/48/45/21/602484521.db2.gz XRXOGUQSFVKISE-UHFFFAOYSA-N -1 0 332.331 3.957 20 0 EHADRM Cc1ccccc1[C@H]1CCN(C(=O)c2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000740179985 602487129 /nfs/dbraw/zinc/48/71/29/602487129.db2.gz BIDVHYQEWVGUCQ-AWEZNQCLSA-N -1 0 342.370 3.854 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738126899 602488354 /nfs/dbraw/zinc/48/83/54/602488354.db2.gz YYAXHZJXVQQFTI-ZDUSSCGKSA-N -1 0 342.395 3.993 20 0 EHADRM O=C([O-])N1CCc2ccc(NC(=O)CCCc3cccs3)cc2C1 ZINC000740356367 602489815 /nfs/dbraw/zinc/48/98/15/602489815.db2.gz YUFGXNFUJJXDJC-UHFFFAOYSA-N -1 0 344.436 3.746 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2CC[C@H](c3ccccc3F)C2)c1 ZINC000740026755 602489897 /nfs/dbraw/zinc/48/98/97/602489897.db2.gz BMHVJWASFFWFTA-ZDUSSCGKSA-N -1 0 328.343 3.545 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CCC[C@H]2Cc2ccccc2)ccc1F ZINC000740693371 602496144 /nfs/dbraw/zinc/49/61/44/602496144.db2.gz WSIITMUFCIWEEA-HNNXBMFYSA-N -1 0 342.370 3.763 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC000740712274 602499562 /nfs/dbraw/zinc/49/95/62/602499562.db2.gz ZVMTZQMBGQJGSV-UHFFFAOYSA-N -1 0 326.139 3.731 20 0 EHADRM Cc1nc(CC(C)C)sc1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738351429 602504927 /nfs/dbraw/zinc/50/49/27/602504927.db2.gz RMQDCLXFHGVBPL-UHFFFAOYSA-N -1 0 333.413 3.992 20 0 EHADRM Cc1noc(C(C)C)c1C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000740265819 602506987 /nfs/dbraw/zinc/50/69/87/602506987.db2.gz UPJXFRJPVFGWFE-UHFFFAOYSA-N -1 0 343.383 3.789 20 0 EHADRM C[C@H]1CCCC[C@@]1(CNC(=O)[O-])NC(=O)c1ccc(C(F)F)cc1 ZINC000739097637 602509884 /nfs/dbraw/zinc/50/98/84/602509884.db2.gz GFJAXNMUZCWUNX-GTNSWQLSSA-N -1 0 340.370 3.571 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)Nc1cccc2cnccc21)c1ccccc1 ZINC000740540361 602566070 /nfs/dbraw/zinc/56/60/70/602566070.db2.gz PDEWTPXTSMXIPV-KRWDZBQOSA-N -1 0 349.390 3.962 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)cc1C ZINC000740140482 602579465 /nfs/dbraw/zinc/57/94/65/602579465.db2.gz BXKXICVCSVWGNC-NVXWUHKLSA-N -1 0 345.443 3.690 20 0 EHADRM CCCCc1ccc(NC(=O)N2CCC[C@@H](CNC(=O)[O-])C2)cc1 ZINC000739343679 602579938 /nfs/dbraw/zinc/57/99/38/602579938.db2.gz YKMYBNQMIVYXIJ-HNNXBMFYSA-N -1 0 333.432 3.541 20 0 EHADRM CCc1cccc(NC(=O)N2CCC[C@H]([C@@H]3CCCN3C(=O)[O-])C2)c1 ZINC000739547140 602580927 /nfs/dbraw/zinc/58/09/27/602580927.db2.gz HPMUCOCMNKJPDJ-RDJZCZTQSA-N -1 0 345.443 3.635 20 0 EHADRM CN(C)[C@@H](C(=O)Nc1ccc(NC(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000737362722 602591303 /nfs/dbraw/zinc/59/13/03/602591303.db2.gz ZVFSUZBQLJADDK-OAHLLOKOSA-N -1 0 347.802 3.671 20 0 EHADRM C[C@H](CNC(=O)[O-])N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000738934104 602596800 /nfs/dbraw/zinc/59/68/00/602596800.db2.gz QBLWSFJFKWJEFP-CYBMUJFWSA-N -1 0 343.383 3.599 20 0 EHADRM C[C@H](CNC(=O)[O-])N(C)C(=O)Nc1ccccc1-c1cccs1 ZINC000738933762 602598392 /nfs/dbraw/zinc/59/83/92/602598392.db2.gz OESMDPHBHDNZGP-LLVKDONJSA-N -1 0 333.413 3.535 20 0 EHADRM Cc1ccccc1OCCCNC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738322349 602599459 /nfs/dbraw/zinc/59/94/59/602599459.db2.gz PEZLVYQETDAIBO-UHFFFAOYSA-N -1 0 343.383 3.676 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N2CCC(OC3CCCC3)CC2)cc1 ZINC000740710515 602599633 /nfs/dbraw/zinc/59/96/33/602599633.db2.gz QEBYZALQEULUTO-UHFFFAOYSA-N -1 0 347.415 3.732 20 0 EHADRM O=C([O-])NC[C@H](NC(=O)Nc1cccc2[nH]ccc21)C1CCCCC1 ZINC000740608903 602604009 /nfs/dbraw/zinc/60/40/09/602604009.db2.gz SWZNXUVFRDZDKU-INIZCTEOSA-N -1 0 344.415 3.506 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)Nc1c(F)cccc1F)c1ccccc1 ZINC000740541374 602643345 /nfs/dbraw/zinc/64/33/45/602643345.db2.gz YCFYQBYSTSODQE-AWEZNQCLSA-N -1 0 334.322 3.692 20 0 EHADRM O=C([O-])NCc1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 ZINC000740677018 602644752 /nfs/dbraw/zinc/64/47/52/602644752.db2.gz VLYBQYWEYDGSCH-UHFFFAOYSA-N -1 0 344.798 3.701 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)[C@H](C)Cc2ccccc2)c1 ZINC000739922146 602656955 /nfs/dbraw/zinc/65/69/55/602656955.db2.gz QBMHRUGRRJWVCO-GFCCVEGCSA-N -1 0 328.368 3.602 20 0 EHADRM CC[C@@H](Nc1ccccc1)C(=O)Nc1ccc(OC)c(NC(=O)[O-])c1 ZINC000739268524 602667396 /nfs/dbraw/zinc/66/73/96/602667396.db2.gz GZYHLMIMOUTOIG-CQSZACIVSA-N -1 0 343.383 3.614 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)CC1CCN(C(=O)[O-])CC1)C(C)C ZINC000740183335 602690067 /nfs/dbraw/zinc/69/00/67/602690067.db2.gz JQWGXLXDUFNFFH-SFHVURJKSA-N -1 0 332.444 3.588 20 0 EHADRM CC[C@@H](NC(=O)N1CCC([C@@H](C)NC(=O)[O-])CC1)c1ccc(C)cc1 ZINC000739264248 602692922 /nfs/dbraw/zinc/69/29/22/602692922.db2.gz RVYGUUHGIYYUPJ-RHSMWYFYSA-N -1 0 347.459 3.524 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)Nc1ccc(NC(=O)[O-])c(OC)c1 ZINC000739260863 602699606 /nfs/dbraw/zinc/69/96/06/602699606.db2.gz SJOBWSNDNWBHEZ-CQSZACIVSA-N -1 0 342.395 3.993 20 0 EHADRM O=C([O-])NCc1cccc(OC(=O)CCSc2ccccc2F)c1 ZINC000740680864 602729370 /nfs/dbraw/zinc/72/93/70/602729370.db2.gz YLMNOQWAOTZTEE-UHFFFAOYSA-N -1 0 349.383 3.681 20 0 EHADRM C[C@H]1CCC[C@H](OCC(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])C1 ZINC000739094910 602732261 /nfs/dbraw/zinc/73/22/61/602732261.db2.gz ITJWFJLDSGPZNT-BBRMVZONSA-N -1 0 346.427 3.651 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739279034 602750652 /nfs/dbraw/zinc/75/06/52/602750652.db2.gz PYZLECTYSWFKCC-QGZVFWFLSA-N -1 0 346.427 3.794 20 0 EHADRM CCN(C(=O)c1ccc(C)c(NC(=O)[O-])c1)c1ccccc1OC ZINC000826983155 602762828 /nfs/dbraw/zinc/76/28/28/602762828.db2.gz DVJHBKPTCAEBBQ-UHFFFAOYSA-N -1 0 328.368 3.760 20 0 EHADRM C[C@@H](NC(=O)CCC(C)(C)NC(=O)[O-])c1cccc2ccccc21 ZINC000738961956 602785500 /nfs/dbraw/zinc/78/55/00/602785500.db2.gz UHGVWSXCSXZHIY-CYBMUJFWSA-N -1 0 328.412 3.843 20 0 EHADRM C[C@@H](NC(=O)CCC(C)(C)NC(=O)[O-])c1ccccc1C(F)(F)F ZINC000738960275 602796099 /nfs/dbraw/zinc/79/60/99/602796099.db2.gz KFOVJSMHNPDUFF-SNVBAGLBSA-N -1 0 346.349 3.709 20 0 EHADRM C[C@@H](C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2)c1cccs1 ZINC000738633437 602806295 /nfs/dbraw/zinc/80/62/95/602806295.db2.gz XWQUZWPOOMXZHW-LLVKDONJSA-N -1 0 330.409 3.526 20 0 EHADRM CC(C)(CCC(=O)N1CCC(=Cc2cccc(F)c2)CC1)NC(=O)[O-] ZINC000738739135 602823642 /nfs/dbraw/zinc/82/36/42/602823642.db2.gz NCCVSWXLHKVBFG-UHFFFAOYSA-N -1 0 348.418 3.658 20 0 EHADRM CC(C)CC[C@@H](NC(=O)N1CCC[C@@H](CNC(=O)[O-])C1)C(C)(C)C ZINC000738820986 602842888 /nfs/dbraw/zinc/84/28/88/602842888.db2.gz TUXMVYCTNKFNKX-LSDHHAIUSA-N -1 0 341.496 3.527 20 0 EHADRM CCC[C@@H](CC1CCCC1)C(=O)N1CCC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739306097 602846536 /nfs/dbraw/zinc/84/65/36/602846536.db2.gz PECIQZUFDHRUCA-IRXDYDNUSA-N -1 0 338.492 3.831 20 0 EHADRM CCC[C@@H](CC1CCCCC1)C(=O)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739307083 602847981 /nfs/dbraw/zinc/84/79/81/602847981.db2.gz SXQFEVHRPLBSTN-IRXDYDNUSA-N -1 0 338.492 3.831 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(F)c(NC(=O)[O-])c2)o1 ZINC000740117874 602882051 /nfs/dbraw/zinc/88/20/51/602882051.db2.gz LCPHPMOSYCEWDM-AWEZNQCLSA-N -1 0 332.331 3.794 20 0 EHADRM COc1ccccc1[C@H](NC(=O)[O-])C(=O)Nc1cccc(C(C)C)c1 ZINC000739967504 602885639 /nfs/dbraw/zinc/88/56/39/602885639.db2.gz HXFUUIIHNOCTFH-KRWDZBQOSA-N -1 0 342.395 3.766 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N1CCCC[C@@H]1[C@@H](C)NC(=O)[O-] ZINC000740184099 602900922 /nfs/dbraw/zinc/90/09/22/602900922.db2.gz NFHVOMDAFDJDAM-BFYDXBDKSA-N -1 0 332.444 3.526 20 0 EHADRM CSCc1cccc(NC(=O)[C@H](CNC(=O)[O-])c2ccccc2)c1 ZINC000829753335 602901181 /nfs/dbraw/zinc/90/11/81/602901181.db2.gz GHKXXJUOIXAFBG-MRXNPFEDSA-N -1 0 344.436 3.540 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)N1C[C@@H](C)N(C(=O)[O-])[C@H](C)C1 ZINC000740159896 602940321 /nfs/dbraw/zinc/94/03/21/602940321.db2.gz TWULDUIRSWAKJF-ZIAGYGMSSA-N -1 0 333.432 3.723 20 0 EHADRM CCc1ccc(NC(=O)Nc2ccc(OC)c(NC(=O)[O-])c2)cc1 ZINC000739541167 602942793 /nfs/dbraw/zinc/94/27/93/602942793.db2.gz FQLDFZISBFNIHF-UHFFFAOYSA-N -1 0 329.356 3.992 20 0 EHADRM CCc1cccc(NC(=O)Nc2ccc(NC(=O)[O-])c(OC)c2)c1 ZINC000739547173 602945930 /nfs/dbraw/zinc/94/59/30/602945930.db2.gz ITBDLYBXUZUFDG-UHFFFAOYSA-N -1 0 329.356 3.992 20 0 EHADRM CCOc1ccccc1NC(=O)Nc1ccc(NC(=O)[O-])c(OC)c1 ZINC000739510404 602946233 /nfs/dbraw/zinc/94/62/33/602946233.db2.gz QTKQSPUJHMPEIY-UHFFFAOYSA-N -1 0 345.355 3.828 20 0 EHADRM CC[C@H](C)[C@H](C(=O)N1CCC(CN(C)C(=O)[O-])CC1)c1ccccc1 ZINC000739228619 602956163 /nfs/dbraw/zinc/95/61/63/602956163.db2.gz WBKJPXIPPVPQSZ-YJBOKZPZSA-N -1 0 346.471 3.665 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)NC(C2CCCC2)C2CCCC2)o1 ZINC000832684923 602960341 /nfs/dbraw/zinc/96/03/41/602960341.db2.gz XIPCZPYVFINECT-UHFFFAOYSA-N -1 0 334.416 3.526 20 0 EHADRM CN(CCCC(=O)N[C@@H](Cc1ccccc1)c1cccs1)C(=O)[O-] ZINC000737421343 602961777 /nfs/dbraw/zinc/96/17/77/602961777.db2.gz GFRBWWBSJAGWMF-HNNXBMFYSA-N -1 0 346.452 3.538 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)cc1 ZINC000738667702 602964233 /nfs/dbraw/zinc/96/42/33/602964233.db2.gz SCLKKCROWQPMNB-NWDGAFQWSA-N -1 0 333.290 3.764 20 0 EHADRM CC(C)c1noc2ncc(C(=O)Oc3ccc(NC(=O)[O-])cc3)cc21 ZINC000737655170 602965789 /nfs/dbraw/zinc/96/57/89/602965789.db2.gz CKMSGPSJWUJFNC-UHFFFAOYSA-N -1 0 341.323 3.655 20 0 EHADRM C[C@H](Oc1ccccc1Cl)C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000737725705 602969240 /nfs/dbraw/zinc/96/92/40/602969240.db2.gz OQIHDESFSONGPM-JTQLQIEISA-N -1 0 335.743 3.803 20 0 EHADRM CC(C)[C@H](OC(=O)c1ccc(F)c(NC(=O)[O-])c1)c1ccccn1 ZINC000738800258 602996418 /nfs/dbraw/zinc/99/64/18/602996418.db2.gz LSWSIAATNBMGGJ-HNNXBMFYSA-N -1 0 332.331 3.865 20 0 EHADRM COc1cccc([C@@H](C)c2nc([C@@H](CC(C)C)NC(=O)[O-])no2)c1 ZINC000739946929 603001265 /nfs/dbraw/zinc/00/12/65/603001265.db2.gz ZIJQLVCLMSLVHJ-BXUZGUMPSA-N -1 0 333.388 3.585 20 0 EHADRM CC[C@H](Cc1ccccc1)c1nc(C2(NC(=O)[O-])CCCC2)no1 ZINC000739260436 603002196 /nfs/dbraw/zinc/00/21/96/603002196.db2.gz PXNMPBBPLSFXKQ-CQSZACIVSA-N -1 0 329.400 3.843 20 0 EHADRM O=C([O-])NC1(c2noc(-c3cc4cc(F)ccc4s3)n2)CCC1 ZINC000740547601 603004768 /nfs/dbraw/zinc/00/47/68/603004768.db2.gz HCUDYHBCDMBWFS-UHFFFAOYSA-N -1 0 333.344 3.737 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)[C@H]3CCC[C@@H]3NC(=O)[O-])ccc2o1 ZINC000738728029 603020284 /nfs/dbraw/zinc/02/02/84/603020284.db2.gz NQBMIRCMSOYFDO-RYUDHWBXSA-N -1 0 345.399 3.500 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)NC[C@H](NC(=O)[O-])c1ccccc1 ZINC000740183358 603024457 /nfs/dbraw/zinc/02/44/57/603024457.db2.gz KEGLODFDKQKGAU-QAPCUYQASA-N -1 0 340.423 3.614 20 0 EHADRM CC(C)(CC(=O)N1CCC[C@H]1c1cccc2ccccc21)NC(=O)[O-] ZINC000738732168 603029653 /nfs/dbraw/zinc/02/96/53/603029653.db2.gz PJHFPDGOAMKTHD-KRWDZBQOSA-N -1 0 340.423 3.940 20 0 EHADRM C[C@H](c1cccnc1)N(C)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739058185 603032468 /nfs/dbraw/zinc/03/24/68/603032468.db2.gz GMATUKYBIBRNMD-SNVBAGLBSA-N -1 0 332.335 3.536 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N2CC[C@H](c3ccco3)C2)c1 ZINC000740704274 603035556 /nfs/dbraw/zinc/03/55/56/603035556.db2.gz ARIDBABWDJZDAG-JTQLQIEISA-N -1 0 333.319 3.530 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N2CCC[C@@H]2c2ccncc2)c1 ZINC000740704273 603038962 /nfs/dbraw/zinc/03/89/62/603038962.db2.gz APPXKMDMAAEGBH-OAHLLOKOSA-N -1 0 344.346 3.680 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N[C@H]2CSc3ccccc32)c1 ZINC000740704269 603039894 /nfs/dbraw/zinc/03/98/94/603039894.db2.gz ANCBXSBUQHFDQB-ZDUSSCGKSA-N -1 0 347.371 3.884 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)CCCOc2ccccc2)cc1 ZINC000827909445 603043146 /nfs/dbraw/zinc/04/31/46/603043146.db2.gz ZNNMKGFJZVBCHI-UHFFFAOYSA-N -1 0 329.352 3.565 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000829592636 603046819 /nfs/dbraw/zinc/04/68/19/603046819.db2.gz SYCXSXNSEMMRFV-ZDUSSCGKSA-N -1 0 343.379 3.909 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000827898845 603049704 /nfs/dbraw/zinc/04/97/04/603049704.db2.gz AFTGMZCSMIKOJQ-UONOGXRCSA-N -1 0 347.317 3.788 20 0 EHADRM O=C([O-])N1CCC[C@@H](C(=O)Nc2cccc(Nc3ccccc3)c2)C1 ZINC000738511735 603053513 /nfs/dbraw/zinc/05/35/13/603053513.db2.gz XJCLEWWBWHWSRM-CQSZACIVSA-N -1 0 339.395 3.759 20 0 EHADRM Cc1cccc([C@@H]2CCCCN2C(=O)CC(C)(C)NC(=O)[O-])c1C ZINC000830494242 603098071 /nfs/dbraw/zinc/09/80/71/603098071.db2.gz YZWKSDZQLNYXOY-INIZCTEOSA-N -1 0 332.444 3.793 20 0 EHADRM C[C@@H]1CN(C(=O)c2cccc(NC(=O)[O-])c2)c2cc(Cl)ccc2O1 ZINC000826040697 603098111 /nfs/dbraw/zinc/09/81/11/603098111.db2.gz CBMAHYBKSRDZRY-SNVBAGLBSA-N -1 0 346.770 3.858 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)N1CCC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739256817 603107980 /nfs/dbraw/zinc/10/79/80/603107980.db2.gz AAKFSDYVQWCWMF-DLBZAZTESA-N -1 0 338.492 3.831 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)Nc1cccc(Nc2ccccc2)c1 ZINC000736381913 603113878 /nfs/dbraw/zinc/11/38/78/603113878.db2.gz MYQPBKPZZHUIAN-INIZCTEOSA-N -1 0 327.384 3.661 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)NC2(C(F)(F)F)CCCCC2)cc1 ZINC000740702594 603116140 /nfs/dbraw/zinc/11/61/40/603116140.db2.gz CTKXFIVUBRMHLL-UHFFFAOYSA-N -1 0 344.333 3.700 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)N1CCC2(CCCC2)C1)c1ccccc1 ZINC000832119484 603139350 /nfs/dbraw/zinc/13/93/50/603139350.db2.gz JHKRGWPNOBISOY-MRXNPFEDSA-N -1 0 330.428 3.568 20 0 EHADRM Cc1cccc2c(Cc3nc([C@H](CC(C)C)NC(=O)[O-])no3)c[nH]c21 ZINC000740180397 603146967 /nfs/dbraw/zinc/14/69/67/603146967.db2.gz UBPAIOJDNKXDPI-AWEZNQCLSA-N -1 0 342.399 3.805 20 0 EHADRM Cc1ccc(C)c([C@H](C)N(C)C(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)c1 ZINC000740117330 603166492 /nfs/dbraw/zinc/16/64/92/603166492.db2.gz RJWQBUSYNZMWPW-JYJNAYRXSA-N -1 0 332.444 3.649 20 0 EHADRM CCCc1ccccc1NC(=O)[C@H](NC(=O)[O-])c1ccccc1OC ZINC000739375456 603167531 /nfs/dbraw/zinc/16/75/31/603167531.db2.gz WTQDRTFOEOPUQS-QGZVFWFLSA-N -1 0 342.395 3.595 20 0 EHADRM CC(C)(C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])c1cccc(F)c1 ZINC000738661364 603173153 /nfs/dbraw/zinc/17/31/53/603173153.db2.gz JOJJYYZQKVTKIN-UHFFFAOYSA-N -1 0 342.370 3.783 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)[C@@H](C)OCc2ccccc2)cc1 ZINC000825612514 603173277 /nfs/dbraw/zinc/17/32/77/603173277.db2.gz SVCIFKKKIQXLDQ-ZIAGYGMSSA-N -1 0 342.395 3.559 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2cc(C(C)(C)C)on2)cc1 ZINC000825443109 603173685 /nfs/dbraw/zinc/17/36/85/603173685.db2.gz XYSDUNRWCUTLCG-SNVBAGLBSA-N -1 0 331.372 3.553 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)CNc2ccccc2Cl)cc1 ZINC000825423512 603177430 /nfs/dbraw/zinc/17/74/30/603177430.db2.gz QHKFNVOGOSSAMG-LLVKDONJSA-N -1 0 347.802 3.719 20 0 EHADRM CCCCOc1ccccc1NC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739338167 603177451 /nfs/dbraw/zinc/17/74/51/603177451.db2.gz BVCZGKVCATWZCE-KBPBESRZSA-N -1 0 334.416 3.630 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)/C=C\c2ccccc2F)cc1 ZINC000825416128 603180845 /nfs/dbraw/zinc/18/08/45/603180845.db2.gz JUKZZPRCKPUFLS-NXIHDVOMSA-N -1 0 328.343 3.806 20 0 EHADRM CO[C@@](C)(C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1)c1ccccc1 ZINC000828817845 603193782 /nfs/dbraw/zinc/19/37/82/603193782.db2.gz OMJOFYOEOUWTJR-BFUOFWGJSA-N -1 0 342.395 3.516 20 0 EHADRM CCc1cc(Oc2ccc(NC(=O)[O-])cc2)nc(-c2ccncc2)n1 ZINC000827569578 603195827 /nfs/dbraw/zinc/19/58/27/603195827.db2.gz NXYOFQGCNBDDKV-UHFFFAOYSA-N -1 0 336.351 3.983 20 0 EHADRM O=C([O-])N1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cc2occc2s1 ZINC000740518388 603196284 /nfs/dbraw/zinc/19/62/84/603196284.db2.gz QQJKXIIWRRMREW-VXGBXAGGSA-N -1 0 348.424 3.631 20 0 EHADRM C[C@@H](C(=O)Nc1ccccc1Cl)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823725022 603211039 /nfs/dbraw/zinc/21/10/39/603211039.db2.gz WAIAXZZGRAXNNK-IAQYHMDHSA-N -1 0 332.787 3.924 20 0 EHADRM O=C([O-])NC[C@H](C(=O)Nc1ccc2ccccc2c1)c1ccccc1 ZINC000832416176 603214344 /nfs/dbraw/zinc/21/43/44/603214344.db2.gz UUHOJYSINFKGQZ-SFHVURJKSA-N -1 0 334.375 3.830 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2ccc3n[nH]cc3c2)c(Cl)c1 ZINC000740700270 603214836 /nfs/dbraw/zinc/21/48/36/603214836.db2.gz DEDDBYIZQFRRFW-UHFFFAOYSA-N -1 0 330.731 3.559 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823716054 603216258 /nfs/dbraw/zinc/21/62/58/603216258.db2.gz WGVVXULLVCRZBQ-BMIGLBTASA-N -1 0 334.322 3.548 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@H](C(=O)Nc2ccc(CC(F)(F)F)cc2)C1 ZINC000740568408 603217329 /nfs/dbraw/zinc/21/73/29/603217329.db2.gz FMCKHPUDIYIYAZ-AAEUAGOBSA-N -1 0 344.333 3.556 20 0 EHADRM CCc1ccc([C@@H]2CCCCN2C(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)o1 ZINC000739540823 603218003 /nfs/dbraw/zinc/21/80/03/603218003.db2.gz BAARGVCUACYVDY-DZKIICNBSA-N -1 0 348.443 3.722 20 0 EHADRM CCCCN(CC)C(=O)c1cc(Cl)c(NC(=O)[O-])cc1OC ZINC000826830061 603222160 /nfs/dbraw/zinc/22/21/60/603222160.db2.gz LGJWROCCBYEARY-UHFFFAOYSA-N -1 0 328.796 3.701 20 0 EHADRM COc1ccc([C@@H](C)CCNC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000737948552 603223420 /nfs/dbraw/zinc/22/34/20/603223420.db2.gz JDQMOTXUZVVHGB-ZDUSSCGKSA-N -1 0 342.395 3.709 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@H]2C[C@H]2Cc2ccccc2)c(Cl)c1 ZINC000740698389 603225436 /nfs/dbraw/zinc/22/54/36/603225436.db2.gz KBHKNTWZRSQGHY-WBMJQRKESA-N -1 0 344.798 3.791 20 0 EHADRM Cc1cc(F)ccc1NC(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000830068886 603226047 /nfs/dbraw/zinc/22/60/47/603226047.db2.gz QEHQOWPSAGHHBT-LRDDRELGSA-N -1 0 330.359 3.718 20 0 EHADRM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CC(C)(C)NC(=O)[O-])o1 ZINC000827583751 603232208 /nfs/dbraw/zinc/23/22/08/603232208.db2.gz LFZQWADHIUNYBS-JSGCOSHPSA-N -1 0 336.432 3.578 20 0 EHADRM CC[C@H](C)Sc1ccc(NC(=O)[C@H]2CCN(C(=O)[O-])C2)c(C)c1 ZINC000739249860 603235020 /nfs/dbraw/zinc/23/50/20/603235020.db2.gz PDFROVUTFFZYJH-STQMWFEESA-N -1 0 336.457 3.824 20 0 EHADRM CCOc1cccc(NC(=S)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000827452656 603235522 /nfs/dbraw/zinc/23/55/22/603235522.db2.gz CUBYNBNSJGHLNZ-UHFFFAOYSA-N -1 0 331.397 3.984 20 0 EHADRM CC(C)C[C@H](C(=O)N[C@@H](C)[C@H]1CCCN(C(=O)[O-])C1)c1ccccc1 ZINC000738805192 603236406 /nfs/dbraw/zinc/23/64/06/603236406.db2.gz LIBFEYUMZJBLQV-SZMVWBNQSA-N -1 0 346.471 3.711 20 0 EHADRM CN(Cc1csc2ccccc12)C(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739717582 603241707 /nfs/dbraw/zinc/24/17/07/603241707.db2.gz OYNOAGZHSJCHQW-JSGCOSHPSA-N -1 0 346.452 3.686 20 0 EHADRM CN(C[C@H]1CCCN1C(=O)Nc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000828207054 603244816 /nfs/dbraw/zinc/24/48/16/603244816.db2.gz VBQUSROLVOGRCL-SNVBAGLBSA-N -1 0 346.214 3.600 20 0 EHADRM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)Nc1cc(Cl)ccc1Cl ZINC000832475883 603246280 /nfs/dbraw/zinc/24/62/80/603246280.db2.gz QXDKOARGVIGIPR-KWQFWETISA-N -1 0 346.214 3.551 20 0 EHADRM CN(C[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000828206146 603247515 /nfs/dbraw/zinc/24/75/15/603247515.db2.gz LUJQSXPJFRZXIQ-SNVBAGLBSA-N -1 0 346.214 3.600 20 0 EHADRM C[C@@H](CC(=O)Nc1ccccc1SCc1ccccc1)NC(=O)[O-] ZINC000824703872 603257395 /nfs/dbraw/zinc/25/73/95/603257395.db2.gz TUYVNTLLYYAAPU-ZDUSSCGKSA-N -1 0 344.436 3.964 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)Nc2ccccc2N(C)C)cc1 ZINC000825443096 603266957 /nfs/dbraw/zinc/26/69/57/603266957.db2.gz XTXRWWVLHKKUAB-LBPRGKRZSA-N -1 0 342.399 3.725 20 0 EHADRM COc1cc(NC(=O)N2C[C@@H](C)CCC[C@H]2C)ccc1NC(=O)[O-] ZINC000829158358 603281560 /nfs/dbraw/zinc/28/15/60/603281560.db2.gz ANWAJARNNQTWFE-NWDGAFQWSA-N -1 0 335.404 3.828 20 0 EHADRM Cc1ccc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1NC(=O)[O-] ZINC000830204539 603282596 /nfs/dbraw/zinc/28/25/96/603282596.db2.gz HBCWTFSTPBMDNF-RYUDHWBXSA-N -1 0 344.333 3.936 20 0 EHADRM CC(C)C[C@@](C)(CNC(=O)[O-])NC(=O)c1ccccc1C(F)(F)F ZINC000738805983 603291926 /nfs/dbraw/zinc/29/19/26/603291926.db2.gz LCBZAQBUCILTPK-HNNXBMFYSA-N -1 0 346.349 3.508 20 0 EHADRM Cc1cc(CNC(=O)[O-])ccc1N(C(=O)c1cccs1)C1CC1 ZINC000740077391 603296985 /nfs/dbraw/zinc/29/69/85/603296985.db2.gz SYDYAYLVRJCYLB-UHFFFAOYSA-N -1 0 330.409 3.633 20 0 EHADRM O=C([O-])N[C@@H](CNC(=O)Nc1cccc(C(F)F)c1)c1ccccc1 ZINC000832136361 603302591 /nfs/dbraw/zinc/30/25/91/603302591.db2.gz SNGIYRCBDMUMPV-AWEZNQCLSA-N -1 0 349.337 3.755 20 0 EHADRM Cc1csc([C@@H](NC(=O)Nc2ccc(NC(=O)[O-])cc2)C2CC2)n1 ZINC000830660494 603311573 /nfs/dbraw/zinc/31/15/73/603311573.db2.gz IUOUXOFEHMAYSH-ZDUSSCGKSA-N -1 0 346.412 3.814 20 0 EHADRM CC(C)N(Cc1cccs1)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000738852486 603323254 /nfs/dbraw/zinc/32/32/54/603323254.db2.gz HWNOWZXZEGLVLM-UHFFFAOYSA-N -1 0 347.440 3.958 20 0 EHADRM CN(CCc1cccs1)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000828341390 603325976 /nfs/dbraw/zinc/32/59/76/603325976.db2.gz NNXONECMQNRVCV-UHFFFAOYSA-N -1 0 337.376 3.684 20 0 EHADRM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000825773163 603327186 /nfs/dbraw/zinc/32/71/86/603327186.db2.gz YEDKWQKKVGHYDZ-YJBOKZPZSA-N -1 0 343.358 3.767 20 0 EHADRM CN(CCCNC(=O)[O-])C(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000739677004 603331936 /nfs/dbraw/zinc/33/19/36/603331936.db2.gz HGCXWVCNLZZOGT-UHFFFAOYSA-N -1 0 349.431 3.520 20 0 EHADRM CN(Cc1ccccc1NC(=O)N1CCC[C@H]1C1CCCC1)C(=O)[O-] ZINC000739712558 603334144 /nfs/dbraw/zinc/33/41/44/603334144.db2.gz FAFQQNWYUJGSJH-KRWDZBQOSA-N -1 0 345.443 3.983 20 0 EHADRM CCc1ccc(CNC(=O)[C@H](C)[C@@H](NC(=O)[O-])c2ccccc2)s1 ZINC000827583509 603334256 /nfs/dbraw/zinc/33/42/56/603334256.db2.gz JYAAXOLTVFIGNQ-MLGOLLRUSA-N -1 0 346.452 3.572 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)cc1 ZINC000738877884 603350798 /nfs/dbraw/zinc/35/07/98/603350798.db2.gz PUEGIGUNRQGWEB-RVKKMQEKSA-N -1 0 346.471 3.808 20 0 EHADRM CCN(Cc1ccccc1NC(=O)NCc1cccs1)C(=O)[O-] ZINC000739444085 603353084 /nfs/dbraw/zinc/35/30/84/603353084.db2.gz UJHAGSJWAKDNRW-UHFFFAOYSA-N -1 0 333.413 3.570 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N1CCCCC[C@@H]1C)C(=O)[O-] ZINC000739445359 603353097 /nfs/dbraw/zinc/35/30/97/603353097.db2.gz FOIXHLSVJPFXMN-AWEZNQCLSA-N -1 0 333.432 3.983 20 0 EHADRM COc1ccc(F)cc1[C@H](C)NC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000829413820 603354635 /nfs/dbraw/zinc/35/46/35/603354635.db2.gz DOPRHSZLGHJCHC-NSHDSACASA-N -1 0 346.358 3.724 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N(CC)Cc1ccoc1)C(=O)[O-] ZINC000739449132 603355063 /nfs/dbraw/zinc/35/50/63/603355063.db2.gz UMFRHJIAEIXCSF-UHFFFAOYSA-N -1 0 345.399 3.834 20 0 EHADRM C[C@H]1CCC[C@@H](N(C)C(=O)Nc2cccc(CN(C)C(=O)[O-])c2)C1 ZINC000739095787 603356046 /nfs/dbraw/zinc/35/60/46/603356046.db2.gz XRQBXASEABMJIZ-XJKSGUPXSA-N -1 0 333.432 3.839 20 0 EHADRM C[C@H](c1ccco1)N(C)C(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000739061498 603362969 /nfs/dbraw/zinc/36/29/69/603362969.db2.gz VNALZZHUWMOTJC-GFCCVEGCSA-N -1 0 331.372 3.614 20 0 EHADRM C[C@H](Cc1nnc(SC[C@H]2CCN(C(=O)[O-])C2)o1)c1ccccc1 ZINC000738945720 603371393 /nfs/dbraw/zinc/37/13/93/603371393.db2.gz OYBSGLHJILDBES-OLZOCXBDSA-N -1 0 347.440 3.508 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N(C)Cc2cccc(F)c2)cc1 ZINC000825423930 603378058 /nfs/dbraw/zinc/37/80/58/603378058.db2.gz XBHWCURRPLFYJM-LBPRGKRZSA-N -1 0 345.374 3.818 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1)c1ccccc1 ZINC000825426649 603378080 /nfs/dbraw/zinc/37/80/80/603378080.db2.gz HVLUKGJNBNSBHX-OLZOCXBDSA-N -1 0 327.384 3.898 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)o1 ZINC000830257966 603385256 /nfs/dbraw/zinc/38/52/56/603385256.db2.gz YGVHRZHSJCWSSC-VXGBXAGGSA-N -1 0 331.372 3.799 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)NC(C)(C)c2nccs2)cc1 ZINC000825426596 603387514 /nfs/dbraw/zinc/38/75/14/603387514.db2.gz HEJINDSPXJMIMP-JTQLQIEISA-N -1 0 348.428 3.529 20 0 EHADRM C[C@@H](CCc1ccccc1F)c1nc(C2(NC(=O)[O-])CCCC2)no1 ZINC000824819478 603415777 /nfs/dbraw/zinc/41/57/77/603415777.db2.gz ZMPMJDCOIYSTHC-LBPRGKRZSA-N -1 0 347.390 3.982 20 0 EHADRM C[C@@H](c1nc(C2(NC(=O)[O-])CCCC2)no1)c1cccc(Cl)c1 ZINC000825629970 603415845 /nfs/dbraw/zinc/41/58/45/603415845.db2.gz LOJDQEFKXRXQSE-SNVBAGLBSA-N -1 0 335.791 3.912 20 0 EHADRM Cc1ccc(C(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)cc1NC(=O)[O-] ZINC000830187695 603426726 /nfs/dbraw/zinc/42/67/26/603426726.db2.gz RJVOHARYESBUSJ-KKNUOHPOSA-N -1 0 328.412 3.736 20 0 EHADRM Cc1ccc(C(=O)NCCc2ccc3ccccc3n2)cc1NC(=O)[O-] ZINC000830220356 603427491 /nfs/dbraw/zinc/42/74/91/603427491.db2.gz TWXJLZVJDHVMHG-UHFFFAOYSA-N -1 0 349.390 3.606 20 0 EHADRM Cc1ccc(C(=O)NCc2cccc3cccnc32)cc1NC(=O)[O-] ZINC000830220484 603428646 /nfs/dbraw/zinc/42/86/46/603428646.db2.gz VVQGHGGIRGKAES-UHFFFAOYSA-N -1 0 335.363 3.563 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCCC[C@H]2c2nccs2)cc1 ZINC000738660092 603430486 /nfs/dbraw/zinc/43/04/86/603430486.db2.gz CECFDIBGEXSMSG-ZDUSSCGKSA-N -1 0 331.397 3.600 20 0 EHADRM C[C@@H]1CCC[C@@H](OCC(=O)N2CCCN(C(=O)[O-])c3ccccc32)C1 ZINC000739094944 603430680 /nfs/dbraw/zinc/43/06/80/603430680.db2.gz JABJRCBMFCMGBD-HUUCEWRRSA-N -1 0 346.427 3.503 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)Nc2ccc3oc4ccccc4c3c2)C1 ZINC000832287996 603431368 /nfs/dbraw/zinc/43/13/68/603431368.db2.gz QGEBEIRAHDNQOH-NWDGAFQWSA-N -1 0 338.363 3.961 20 0 EHADRM C[C@@H](CC(=O)N(c1ccccc1F)C1CCN(C(=O)[O-])CC1)C1CC1 ZINC000738891778 603433172 /nfs/dbraw/zinc/43/31/72/603433172.db2.gz FHLUGOMGOAKGJM-ZDUSSCGKSA-N -1 0 348.418 3.737 20 0 EHADRM O=C([O-])Nc1cc2ccccc2cc1C(=O)N1CC(C(F)(F)F)C1 ZINC000832828317 603439054 /nfs/dbraw/zinc/43/90/54/603439054.db2.gz FCOXNVOZQHYCET-UHFFFAOYSA-N -1 0 338.285 3.564 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)C/C=C\c2cccc(F)c2)c1 ZINC000832724706 603444965 /nfs/dbraw/zinc/44/49/65/603444965.db2.gz LILILQMKMOLPPN-HYXAFXHYSA-N -1 0 328.343 3.635 20 0 EHADRM CSc1ccc(NC(=O)c2ccc(CNC(=O)[O-])o2)cc1Cl ZINC000829766403 603476948 /nfs/dbraw/zinc/47/69/48/603476948.db2.gz ILDLGXLXVAOOMX-UHFFFAOYSA-N -1 0 340.788 3.675 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N(C)C1CCC(NC(=O)[O-])CC1 ZINC000829839347 603479879 /nfs/dbraw/zinc/47/98/79/603479879.db2.gz HLLYZHULYZLEPZ-UHFFFAOYSA-N -1 0 348.374 3.531 20 0 EHADRM C[C@H](NC(=O)c1c(Cl)cccc1Cl)[C@H]1CCCN(C(=O)[O-])C1 ZINC000825460247 603482704 /nfs/dbraw/zinc/48/27/04/603482704.db2.gz ZQEISVVKPHDBOH-UWVGGRQHSA-N -1 0 345.226 3.502 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Oc2cccc3c2CCCC3=O)ccc1F ZINC000832820952 603487378 /nfs/dbraw/zinc/48/73/78/603487378.db2.gz PWKAITBRPLJEDZ-UHFFFAOYSA-N -1 0 343.310 3.654 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)OCc2cccc3c[nH]nc32)c(Cl)c1 ZINC000832838539 603516957 /nfs/dbraw/zinc/51/69/57/603516957.db2.gz JRXRTDYTHZAYEA-UHFFFAOYSA-N -1 0 345.742 3.663 20 0 EHADRM CCC[C@H](NC(=O)[O-])c1nc(-c2ccc(N3CCCCC3)cc2)no1 ZINC000826765661 603542670 /nfs/dbraw/zinc/54/26/70/603542670.db2.gz UBYFVSSMIKHQSK-HNNXBMFYSA-N -1 0 344.415 3.836 20 0 EHADRM CC[C@H]1C[C@@H](C)CN1C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000826661118 603593914 /nfs/dbraw/zinc/59/39/14/603593914.db2.gz PKAJGSUSHMKZOU-DOMZBBRYSA-N -1 0 331.416 3.770 20 0 EHADRM CC[C@@H]1C[C@H](C)CN1C(=O)Nc1ccccc1CN(CC)C(=O)[O-] ZINC000826661582 603601395 /nfs/dbraw/zinc/60/13/95/603601395.db2.gz SEJNUMOJRCTTKX-DZGCQCFKSA-N -1 0 333.432 3.839 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccccc1C(F)(F)F)NC(=O)[O-] ZINC000826544535 603605790 /nfs/dbraw/zinc/60/57/90/603605790.db2.gz MXKXZOJJMCZPRL-UHFFFAOYSA-N -1 0 347.337 3.653 20 0 EHADRM CC(C)[C@H](NC(=O)N(C)C1CCC(NC(=O)[O-])CC1)c1ccccc1 ZINC000824128815 603614439 /nfs/dbraw/zinc/61/44/39/603614439.db2.gz JKONIDOUJUSZPA-JCYILVPMSA-N -1 0 347.459 3.604 20 0 EHADRM C[C@@H](CCOc1ccccc1)C(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000824811322 603637362 /nfs/dbraw/zinc/63/73/62/603637362.db2.gz YIZWSLYHFIIIOR-AWEZNQCLSA-N -1 0 343.379 3.811 20 0 EHADRM Cc1ccccc1NCCc1nc(-c2cccc(NC(=O)[O-])c2)no1 ZINC000830587545 603640646 /nfs/dbraw/zinc/64/06/46/603640646.db2.gz YZKPKCGZDYPSBL-UHFFFAOYSA-N -1 0 338.367 3.790 20 0 EHADRM CC(C)CC1(C(=O)N2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)CCC1 ZINC000824223568 603649980 /nfs/dbraw/zinc/64/99/80/603649980.db2.gz GJYFSCPPZQLLCY-CVEARBPZSA-N -1 0 336.476 3.584 20 0 EHADRM O=C([O-])N1CCC(CC(=O)N2CCCC[C@H]2c2ccc(F)cc2)CC1 ZINC000831868679 603674289 /nfs/dbraw/zinc/67/42/89/603674289.db2.gz BFRYCSRWLXYQAT-KRWDZBQOSA-N -1 0 348.418 3.659 20 0 EHADRM CCC(CC)(CNC(=O)c1cc(SC)ccc1Cl)NC(=O)[O-] ZINC000826552640 603728651 /nfs/dbraw/zinc/72/86/51/603728651.db2.gz RMRCYANSZLBLFP-UHFFFAOYSA-N -1 0 344.864 3.618 20 0 EHADRM CN(CC(F)F)C(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000828160876 603765060 /nfs/dbraw/zinc/76/50/60/603765060.db2.gz BAYCKPIJMFMREY-UHFFFAOYSA-N -1 0 341.236 3.524 20 0 EHADRM CCN(Cc1ccccc1NC(=O)C[C@@H](C)c1ccncc1)C(=O)[O-] ZINC000827182874 603806812 /nfs/dbraw/zinc/80/68/12/603806812.db2.gz UWMDSWAOPUMEAL-CQSZACIVSA-N -1 0 341.411 3.714 20 0 EHADRM C[C@H](c1ccccc1)N(C)C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000825637457 603816286 /nfs/dbraw/zinc/81/62/86/603816286.db2.gz DEFYZRQNMGHLRA-ZBSSRIJBSA-N -1 0 330.428 3.517 20 0 EHADRM Cc1cc(C)cc(NC(=S)N(C)C2CCC(NC(=O)[O-])CC2)c1 ZINC000830003485 603829650 /nfs/dbraw/zinc/82/96/50/603829650.db2.gz ILRRKQDTWRPARL-UHFFFAOYSA-N -1 0 335.473 3.511 20 0 EHADRM C[C@H](CC(=O)Oc1ccc(NC(=O)[O-])cc1)C(=O)c1cccc(F)c1 ZINC000824743067 603842995 /nfs/dbraw/zinc/84/29/95/603842995.db2.gz GOMRHYRTGVIYIZ-LLVKDONJSA-N -1 0 345.326 3.730 20 0 EHADRM COc1cccc([C@@H](C)Cc2nc([C@@H](CC(C)C)NC(=O)[O-])no2)c1 ZINC000829543521 603878078 /nfs/dbraw/zinc/87/80/78/603878078.db2.gz LSXSIMQKFTUDRS-SWLSCSKDSA-N -1 0 347.415 3.779 20 0 EHADRM CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000826633253 603881776 /nfs/dbraw/zinc/88/17/76/603881776.db2.gz VHSYCWPJONQQOG-CQSZACIVSA-N -1 0 332.331 3.712 20 0 EHADRM CCC[C@](C)(NC(=O)[O-])C(=O)Nc1cc(C(F)(F)F)ccc1C ZINC000826719693 603881914 /nfs/dbraw/zinc/88/19/14/603881914.db2.gz AEMXBSOVWBMVPH-AWEZNQCLSA-N -1 0 332.322 3.779 20 0 EHADRM O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)N1CCCC[C@@H]1c1ccco1)C2 ZINC000831298145 603899039 /nfs/dbraw/zinc/89/90/39/603899039.db2.gz CMRFZZNZJYXKOG-WTXIUTQJSA-N -1 0 346.427 3.644 20 0 EHADRM Cc1ccc(C(=O)OC[C@H]2OCCc3ccccc32)cc1NC(=O)[O-] ZINC000830238891 603957858 /nfs/dbraw/zinc/95/78/58/603957858.db2.gz UTKKYIRUBFXXBG-QGZVFWFLSA-N -1 0 341.363 3.556 20 0 EHADRM Cc1ccc(C(=O)OCc2cccc3cccnc32)cc1NC(=O)[O-] ZINC000830244556 603960442 /nfs/dbraw/zinc/96/04/42/603960442.db2.gz CPCLQLQBKFJUSR-UHFFFAOYSA-N -1 0 336.347 3.990 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2ccc(OCC(F)F)cc2)cc1 ZINC000832839130 603961359 /nfs/dbraw/zinc/96/13/59/603961359.db2.gz RZDKXIYSWRLGQY-UHFFFAOYSA-N -1 0 336.294 3.673 20 0 EHADRM Cc1cccc(C)c1NC(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000830488647 603968063 /nfs/dbraw/zinc/96/80/63/603968063.db2.gz IMJYJRLIOKQJMY-UHFFFAOYSA-N -1 0 325.368 3.988 20 0 EHADRM C[C@@H](CNC(=O)Nc1cccc2c1CCN2C(=O)[O-])c1ccccc1 ZINC000824945854 603976320 /nfs/dbraw/zinc/97/63/20/603976320.db2.gz MSSDTVLOPKAZOR-ZDUSSCGKSA-N -1 0 339.395 3.652 20 0 EHADRM CCC[C@H]1CCCN(C(=O)Nc2ccc(NC(=O)[O-])c(OC)c2)C1 ZINC000826773844 603983863 /nfs/dbraw/zinc/98/38/63/603983863.db2.gz AKRNZXLXCIDSOD-LBPRGKRZSA-N -1 0 335.404 3.829 20 0 EHADRM CCCC[C@@H](CNC(=O)[O-])NC(=O)Nc1cccc(C(F)F)c1 ZINC000826799580 603985758 /nfs/dbraw/zinc/98/57/58/603985758.db2.gz ATHNDRDILVCRFF-LBPRGKRZSA-N -1 0 329.347 3.572 20 0 EHADRM COc1cc(C)ccc1CNC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000829101006 603994526 /nfs/dbraw/zinc/99/45/26/603994526.db2.gz BZUDRULHONCSBS-UHFFFAOYSA-N -1 0 347.346 3.554 20 0 EHADRM CS[C@H]1CCC[C@@H](NC(=O)Nc2cccc3c2CCN3C(=O)[O-])C1 ZINC000829710476 603995008 /nfs/dbraw/zinc/99/50/08/603995008.db2.gz NFLSSOWNCUZGID-NEPJUHHUSA-N -1 0 349.456 3.523 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N1C[C@@H](C)CC1(C)C)C(=O)[O-] ZINC000827182300 604012817 /nfs/dbraw/zinc/01/28/17/604012817.db2.gz KUXXYXXZNJQMPD-ZDUSSCGKSA-N -1 0 333.432 3.839 20 0 EHADRM Cc1cc(Cl)ccc1NC(=O)N1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000830050743 604062491 /nfs/dbraw/zinc/06/24/91/604062491.db2.gz XWWLWURUCRTVOQ-NWDGAFQWSA-N -1 0 339.823 3.548 20 0 EHADRM CCS[C@@H]1CCC[C@H]1NC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000827503725 604127574 /nfs/dbraw/zinc/12/75/74/604127574.db2.gz LIHJEBUCOSJJIH-DGCLKSJQSA-N -1 0 341.408 3.711 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)CC/C=C/c2ccccc2)cc1 ZINC000740016498 604254636 /nfs/dbraw/zinc/25/46/36/604254636.db2.gz HYMJLGDLUXLZFM-XBXARRHUSA-N -1 0 338.407 3.929 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000832847064 604292279 /nfs/dbraw/zinc/29/22/79/604292279.db2.gz HGKHZENWORILDM-UHFFFAOYSA-N -1 0 334.375 3.834 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCc3cc(-c4ccccc4)ccc32)cn1 ZINC000430233411 604305307 /nfs/dbraw/zinc/30/53/07/604305307.db2.gz LIMIUXQLZWLZFW-UHFFFAOYSA-N -1 0 344.370 3.650 20 0 EHADRM CC(C)Nc1cc(F)ccc1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000826983576 604321294 /nfs/dbraw/zinc/32/12/94/604321294.db2.gz AIYAFMCZRRFUJB-UHFFFAOYSA-N -1 0 334.322 3.736 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cc(F)ccc2OC(F)F)cc1F ZINC000833154036 604339608 /nfs/dbraw/zinc/33/96/08/604339608.db2.gz QYEVURWHFBWSNS-UHFFFAOYSA-N -1 0 343.232 3.517 20 0 EHADRM C[C@@H](NC(=O)[O-])C1CCN(C(=O)c2ccc(C(C)(C)C)s2)CC1 ZINC000825288742 604342752 /nfs/dbraw/zinc/34/27/52/604342752.db2.gz SHLBYQLTOCOGCI-LLVKDONJSA-N -1 0 338.473 3.554 20 0 EHADRM Cc1cc([C@H](C)N2C[C@H](C)O[C@@H](c3ccccc3)C2)oc1C(=O)[O-] ZINC000516932719 604383285 /nfs/dbraw/zinc/38/32/85/604383285.db2.gz ZYAGWJIIENLOOS-GRDNDAEWSA-N -1 0 329.396 3.809 20 0 EHADRM C[C@H](C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])c1ccsc1 ZINC000825995361 604386680 /nfs/dbraw/zinc/38/66/80/604386680.db2.gz OHEQKVIAQJFRIF-WFASDCNBSA-N -1 0 331.437 3.820 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)CCc1ccsc1)c1ccccc1 ZINC000826090885 604387100 /nfs/dbraw/zinc/38/71/00/604387100.db2.gz XRTFTIKNVTYZQR-INIZCTEOSA-N -1 0 331.437 3.649 20 0 EHADRM Cc1cccc(C)c1CNC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000832964050 604420026 /nfs/dbraw/zinc/42/00/26/604420026.db2.gz DRPVLSFFNRNLRM-CQSZACIVSA-N -1 0 343.448 3.799 20 0 EHADRM CN(Cc1ncc(-c2ccc(Cl)cc2)o1)C1(C(=O)[O-])CCCC1 ZINC000391908921 604454622 /nfs/dbraw/zinc/45/46/22/604454622.db2.gz JYOYNFZBGBQNRV-UHFFFAOYSA-N -1 0 334.803 3.824 20 0 EHADRM CC1CCC(N(C(=O)NCCc2ccc(C(=O)[O-])cc2)C2CC2)CC1 ZINC000828226506 604459999 /nfs/dbraw/zinc/45/99/99/604459999.db2.gz UVXJMUGTPZTJBE-UHFFFAOYSA-N -1 0 344.455 3.680 20 0 EHADRM Cc1cnn(-c2ccc(C(=O)[O-])cc2NC(=O)c2cccc(C)c2C)c1 ZINC000833754499 604487931 /nfs/dbraw/zinc/48/79/31/604487931.db2.gz RLSIKRQRKGTQKP-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM CC(C)(CNC(=O)Nc1cc(C(=O)[O-])cs1)c1cccc(F)c1 ZINC000826585173 604508602 /nfs/dbraw/zinc/50/86/02/604508602.db2.gz JXRQSWPXWMMKKI-UHFFFAOYSA-N -1 0 336.388 3.685 20 0 EHADRM O=C([O-])c1csc(NC(=O)N(CCC(F)(F)F)CC2CC2)c1 ZINC000833340238 604510479 /nfs/dbraw/zinc/51/04/79/604510479.db2.gz FTEPMRAXUYFLMK-UHFFFAOYSA-N -1 0 336.335 3.643 20 0 EHADRM O=C([O-])c1csc(NC(=O)N2CCSC[C@@H]2c2ccccc2)c1 ZINC000833342931 604520049 /nfs/dbraw/zinc/52/00/49/604520049.db2.gz TWXYCAMXQQHIJN-CYBMUJFWSA-N -1 0 348.449 3.768 20 0 EHADRM Cc1cccc(C(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)c1Cl ZINC000833751989 604523536 /nfs/dbraw/zinc/52/35/36/604523536.db2.gz DEGCTQOMCQBPQH-UHFFFAOYSA-N -1 0 336.800 3.612 20 0 EHADRM CCN(C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])[C@H](C)C(C)C ZINC000829597801 604536987 /nfs/dbraw/zinc/53/69/87/604536987.db2.gz UVDIOQMJGDXYHH-ZBFHGGJFSA-N -1 0 334.460 3.915 20 0 EHADRM Cc1cc([C@H](C)OC(=O)COc2cc(C)cc(C)c2)oc1C(=O)[O-] ZINC000832879148 604545171 /nfs/dbraw/zinc/54/51/71/604545171.db2.gz VUDIGBTXCMWPQD-ZDUSSCGKSA-N -1 0 332.352 3.586 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)CCc2ccc3ccccc3c2)c1 ZINC000537474275 604545934 /nfs/dbraw/zinc/54/59/34/604545934.db2.gz CKOLEWNEAVPJHZ-UHFFFAOYSA-N -1 0 347.414 3.830 20 0 EHADRM C[C@@H](C(=O)NCCc1cccc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC000539677427 604547537 /nfs/dbraw/zinc/54/75/37/604547537.db2.gz DLMXMPWKOPJKPE-GFCCVEGCSA-N -1 0 331.799 3.501 20 0 EHADRM CC(C)Cn1ncc(C(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)c1C1CC1 ZINC000833492405 604555384 /nfs/dbraw/zinc/55/53/84/604555384.db2.gz AZQYMXKYJQXGFY-LLVKDONJSA-N -1 0 346.383 3.626 20 0 EHADRM CC(C)c1ccc(C(=O)Oc2ccc(SCC(=O)[O-])cc2)cn1 ZINC000827117718 604558435 /nfs/dbraw/zinc/55/84/35/604558435.db2.gz HWPVLSNDSDGZHL-UHFFFAOYSA-N -1 0 331.393 3.601 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc(F)cc2OC2CCCC2)C1 ZINC000683339509 604563362 /nfs/dbraw/zinc/56/33/62/604563362.db2.gz PVBSNEUDWWQWQP-OLZOCXBDSA-N -1 0 349.402 3.977 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)CCc2cc(F)ccc2F)oc1C(=O)[O-] ZINC000832871666 604573221 /nfs/dbraw/zinc/57/32/21/604573221.db2.gz ILWIJKBKHQQYJN-SNVBAGLBSA-N -1 0 338.306 3.801 20 0 EHADRM COc1ccc([C@@H](C)C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC000832216611 604583326 /nfs/dbraw/zinc/58/33/26/604583326.db2.gz CHORFXQYDMRFAZ-VXGBXAGGSA-N -1 0 332.352 3.703 20 0 EHADRM COc1ccc([C@H](C)C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC000832216610 604583362 /nfs/dbraw/zinc/58/33/62/604583362.db2.gz CHORFXQYDMRFAZ-RYUDHWBXSA-N -1 0 332.352 3.703 20 0 EHADRM Cc1cc([C@H](C)OC(=O)Cc2c[nH]c3ccc(F)cc23)oc1C(=O)[O-] ZINC000832870987 604587877 /nfs/dbraw/zinc/58/78/77/604587877.db2.gz FBLFNCBKCHFDJF-JTQLQIEISA-N -1 0 345.326 3.754 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2cnc3ccsc3c2)oc1C(=O)[O-] ZINC000832873030 604592269 /nfs/dbraw/zinc/59/22/69/604592269.db2.gz DVTXNONFTXVTCW-SECBINFHSA-N -1 0 331.349 3.814 20 0 EHADRM CCOc1c(F)cccc1C(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000830026731 604592988 /nfs/dbraw/zinc/59/29/88/604592988.db2.gz AXOZFWWCNDINMZ-SNVBAGLBSA-N -1 0 336.315 3.742 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2cccc3cnccc32)oc1C(=O)[O-] ZINC000832873458 604593352 /nfs/dbraw/zinc/59/33/52/604593352.db2.gz CRSQTDWNFPRUTQ-LLVKDONJSA-N -1 0 325.320 3.752 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000326773604 604614043 /nfs/dbraw/zinc/61/40/43/604614043.db2.gz LOZMFFRIRJBMGI-HNNXBMFYSA-N -1 0 340.379 3.950 20 0 EHADRM CCn1cc(C(=O)OCc2cc(C(=O)[O-])c(C)o2)c2ccccc21 ZINC000833681705 604625620 /nfs/dbraw/zinc/62/56/20/604625620.db2.gz CCXKWYCRHAUDIU-UHFFFAOYSA-N -1 0 327.336 3.618 20 0 EHADRM CCCc1nccn1Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000829574296 604631205 /nfs/dbraw/zinc/63/12/05/604631205.db2.gz UZIAAALYWFQNSX-UHFFFAOYSA-N -1 0 327.409 3.706 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000828874684 604646283 /nfs/dbraw/zinc/64/62/83/604646283.db2.gz LHCXAWUKXHRZAL-UHFFFAOYSA-N -1 0 335.791 3.848 20 0 EHADRM COc1ccc(NC2CCN(C(=O)[O-])CC2)cc1Cc1ccccc1 ZINC000832413165 604647130 /nfs/dbraw/zinc/64/71/30/604647130.db2.gz HFLWNUGSTQTRFC-UHFFFAOYSA-N -1 0 340.423 3.840 20 0 EHADRM Cc1cc(NCc2cc(C)c(OCC(=O)[O-])c(C)c2)ccc1N(C)C ZINC000832897607 604654108 /nfs/dbraw/zinc/65/41/08/604654108.db2.gz VXRKJEVTSXSLTE-UHFFFAOYSA-N -1 0 342.439 3.753 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000540774645 604671554 /nfs/dbraw/zinc/67/15/54/604671554.db2.gz PDGIPRHUOFRCNY-USXIJHARSA-N -1 0 329.440 3.793 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000540774643 604671996 /nfs/dbraw/zinc/67/19/96/604671996.db2.gz PDGIPRHUOFRCNY-DJIMGWMZSA-N -1 0 329.440 3.793 20 0 EHADRM CC(C)N(Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)CC(F)F ZINC000826951249 604677583 /nfs/dbraw/zinc/67/75/83/604677583.db2.gz AWFPCMBHCFNIMS-UHFFFAOYSA-N -1 0 340.395 3.984 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(C)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000537472873 604680369 /nfs/dbraw/zinc/68/03/69/604680369.db2.gz AYOFYPFIUVCWAV-LBPRGKRZSA-N -1 0 331.799 3.800 20 0 EHADRM CCCC[C@H](NC(=O)N1CCC[C@H]1CC(=O)[O-])c1ccc(OC)cc1 ZINC000829286054 604684924 /nfs/dbraw/zinc/68/49/24/604684924.db2.gz QDLWIHDHFXQFOX-RDJZCZTQSA-N -1 0 348.443 3.575 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)N1CCC[C@@H]1CC(=O)[O-])C(C)(C)C ZINC000832981295 604688864 /nfs/dbraw/zinc/68/88/64/604688864.db2.gz FYXFAYLNVRRYQH-RHSMWYFYSA-N -1 0 332.444 3.731 20 0 EHADRM CCc1cc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])oc1CC ZINC000192870630 604704109 /nfs/dbraw/zinc/70/41/09/604704109.db2.gz LHEILDFFSAOJLA-SJKOYZFVSA-N -1 0 329.396 3.596 20 0 EHADRM COc1ccc(NC(=O)c2ccc(Cl)cc2C)cc1NC(=O)[O-] ZINC000829474953 604704916 /nfs/dbraw/zinc/70/49/16/604704916.db2.gz WMBVKQKNTPQOSA-UHFFFAOYSA-N -1 0 334.759 3.999 20 0 EHADRM CC(C)C[C@H](C)Oc1cc(CNc2cccc(C(=O)[O-])n2)ccn1 ZINC000833474933 604712979 /nfs/dbraw/zinc/71/29/79/604712979.db2.gz BYWGYILGSRZEEB-ZDUSSCGKSA-N -1 0 329.400 3.600 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCC[C@H]2CCCc2ccccc2)C1 ZINC000263567076 604717113 /nfs/dbraw/zinc/71/71/13/604717113.db2.gz GJTHFPJAZBRYBZ-IPMKNSEASA-N -1 0 343.467 3.891 20 0 EHADRM CN(C(=O)CCc1ccc2ccccc2c1)C1(C(=O)[O-])CCCC1 ZINC000830478710 604718551 /nfs/dbraw/zinc/71/85/51/604718551.db2.gz VELCIBIDXNRPGO-UHFFFAOYSA-N -1 0 325.408 3.628 20 0 EHADRM Cc1c(C(=O)N(C)C2(C(=O)[O-])CCCC2)oc2c1c(C)ccc2C ZINC000832925363 604723736 /nfs/dbraw/zinc/72/37/36/604723736.db2.gz LDCHPKLWBPYJTA-UHFFFAOYSA-N -1 0 329.396 3.827 20 0 EHADRM Cc1ccc2[nH]c(C(=O)Nc3nc(CCC(=O)[O-])cs3)cc2c1C ZINC000832958431 604741961 /nfs/dbraw/zinc/74/19/61/604741961.db2.gz DXOHQUIDJUYMPJ-UHFFFAOYSA-N -1 0 343.408 3.511 20 0 EHADRM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1cccc(C(=O)[O-])c1 ZINC000432119328 604742585 /nfs/dbraw/zinc/74/25/85/604742585.db2.gz DFAVAQZCKKJAOM-RYUDHWBXSA-N -1 0 327.355 3.672 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)C1CCC(C(=O)[O-])CC1 ZINC000262688934 604742706 /nfs/dbraw/zinc/74/27/06/604742706.db2.gz DKKKTPIJQURIMM-KBHBFKLGSA-N -1 0 333.403 3.551 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1Oc1ncnc2c(C)cccc12 ZINC000831976815 604772546 /nfs/dbraw/zinc/77/25/46/604772546.db2.gz PTVRSTMIAMOOEF-CLFYSBASSA-N -1 0 336.347 3.837 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Cc1ccccc1C(=O)[O-] ZINC000322141826 604781035 /nfs/dbraw/zinc/78/10/35/604781035.db2.gz QPJLNPSDBVPNKK-LBPRGKRZSA-N -1 0 331.799 3.800 20 0 EHADRM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)[O-])c1O ZINC000325646923 604795239 /nfs/dbraw/zinc/79/52/39/604795239.db2.gz GAZJCXIZDWMQCS-UHFFFAOYSA-N -1 0 349.770 3.540 20 0 EHADRM CCC(CC)n1ccc(COc2ccc(/C=C/C(=O)[O-])cc2OC)n1 ZINC000327471310 604799549 /nfs/dbraw/zinc/79/95/49/604799549.db2.gz GGSBLUKYVDLYMP-VQHVLOKHSA-N -1 0 344.411 3.930 20 0 EHADRM Cc1ncc(-c2ccc(NC(=O)c3ccc(C(=O)[O-])c(F)c3)cc2)o1 ZINC000833007943 604811236 /nfs/dbraw/zinc/81/12/36/604811236.db2.gz HGMDPTSIFDAGMC-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM C/C(=C\C(=O)N1CCc2ccc(C(=O)[O-])cc2C1)c1cccc(F)c1 ZINC000777378116 604815291 /nfs/dbraw/zinc/81/52/91/604815291.db2.gz PIVGHMIBMYKJAP-UKTHLTGXSA-N -1 0 339.366 3.512 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)Cc2cc(F)c(F)cc2F)ccc1F ZINC000833283613 604820565 /nfs/dbraw/zinc/82/05/65/604820565.db2.gz SRCFGBYYQPNBGY-UHFFFAOYSA-N -1 0 342.248 3.514 20 0 EHADRM C[C@H](OC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1c(F)cc(F)cc1F ZINC000827828357 604820743 /nfs/dbraw/zinc/82/07/43/604820743.db2.gz ZMDKHNZHGGFSLU-AEJSXWLSSA-N -1 0 330.302 3.599 20 0 EHADRM CN(Cc1ccc(F)cc1Cl)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000830825359 604821482 /nfs/dbraw/zinc/82/14/82/604821482.db2.gz RYOJVGWBKNXURK-UHFFFAOYSA-N -1 0 339.725 3.589 20 0 EHADRM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828151362 604828193 /nfs/dbraw/zinc/82/81/93/604828193.db2.gz WEIMCJDHKZNBAS-HIFRSBDPSA-N -1 0 341.382 3.617 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1F ZINC000833141712 604832412 /nfs/dbraw/zinc/83/24/12/604832412.db2.gz XXVZVGZEBCHSOY-KOLCDFICSA-N -1 0 347.308 3.622 20 0 EHADRM COc1ccc(C(C)(C)C(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000829292656 604837363 /nfs/dbraw/zinc/83/73/63/604837363.db2.gz FXPUPIPDHHOKEK-UHFFFAOYSA-N -1 0 328.368 3.701 20 0 EHADRM CC[C@@H](CC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)C(C)C ZINC000236933890 604844961 /nfs/dbraw/zinc/84/49/61/604844961.db2.gz UNDVNFRTMJMJCM-NSHDSACASA-N -1 0 327.808 3.814 20 0 EHADRM C[C@H](C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)C1CCCC1 ZINC000826014164 604848176 /nfs/dbraw/zinc/84/81/76/604848176.db2.gz PGZLMIYPTMLVHA-JTQLQIEISA-N -1 0 325.792 3.568 20 0 EHADRM O=C([O-])c1ccc(C(=O)OCc2coc(-c3cccs3)n2)cc1F ZINC000833353764 604849159 /nfs/dbraw/zinc/84/91/59/604849159.db2.gz QPJPDONTIAGGRE-UHFFFAOYSA-N -1 0 347.323 3.597 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)/C=C\c2ccsc2)cc1Cl ZINC000492383658 604849362 /nfs/dbraw/zinc/84/93/62/604849362.db2.gz BMFCKCYSHVJBMM-RJRFIUFISA-N -1 0 337.784 3.517 20 0 EHADRM C[C@H]1CC[C@@H](CC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)C1 ZINC000828221858 604850239 /nfs/dbraw/zinc/85/02/39/604850239.db2.gz ZTTDJOODNNMYSP-WDEREUQCSA-N -1 0 325.792 3.568 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)[C@@H]2CCCc3sccc32)cc1 ZINC000830508068 604859732 /nfs/dbraw/zinc/85/97/32/604859732.db2.gz RHMFIKKFHNHNBU-CQSZACIVSA-N -1 0 330.409 3.921 20 0 EHADRM CN(C(=O)c1ccc(-c2ccccc2)[nH]1)C1(C(=O)[O-])CCCCC1 ZINC000191282453 604863385 /nfs/dbraw/zinc/86/33/85/604863385.db2.gz MVIJTSVDULUYHE-UHFFFAOYSA-N -1 0 326.396 3.541 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)[C@H]2CCCc3sccc32)c2ccccc21 ZINC000325873632 604866120 /nfs/dbraw/zinc/86/61/20/604866120.db2.gz LYCOGZZXQABKDC-WFASDCNBSA-N -1 0 341.432 3.773 20 0 EHADRM CN(C(=O)c1cc2cc(Cl)ccc2[nH]1)C1(C(=O)[O-])CCCCC1 ZINC000833685484 604874353 /nfs/dbraw/zinc/87/43/53/604874353.db2.gz AAIYVWGIZYUIMW-UHFFFAOYSA-N -1 0 334.803 3.681 20 0 EHADRM CC(C)c1csc(NC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)n1 ZINC000321988644 604875718 /nfs/dbraw/zinc/87/57/18/604875718.db2.gz DMHVDFIMCVKUON-NSHDSACASA-N -1 0 339.461 3.621 20 0 EHADRM C/C=C/c1ccc(OC(=O)c2ccc(C(=O)[O-])c(F)c2)c(OC)c1 ZINC000828543374 604878427 /nfs/dbraw/zinc/87/84/27/604878427.db2.gz SQWXJBARXIVJQS-ONEGZZNKSA-N -1 0 330.311 3.785 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)/C=C/c1ccc2ccccc2n1)c1ccccc1 ZINC000769516165 604880857 /nfs/dbraw/zinc/88/08/57/604880857.db2.gz UBIILUDADHTIKU-JXOMPUQVSA-N -1 0 346.386 3.580 20 0 EHADRM CCCc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)sc1C ZINC000013224958 604881957 /nfs/dbraw/zinc/88/19/57/604881957.db2.gz XWLVQLGJCKBXMK-HNNXBMFYSA-N -1 0 331.437 3.955 20 0 EHADRM CCn1cc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)c2ccccc21 ZINC000195194922 604884724 /nfs/dbraw/zinc/88/47/24/604884724.db2.gz DQIACYKDXKKJAX-QGZVFWFLSA-N -1 0 336.391 3.607 20 0 EHADRM O=C([O-])c1ccc(C(=O)Oc2ccc(OCC3CC3)cc2)cc1F ZINC000833353797 604884718 /nfs/dbraw/zinc/88/47/18/604884718.db2.gz RUGPXODOTOFHEN-UHFFFAOYSA-N -1 0 330.311 3.532 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)/C=C\Sc2ccccc2)C1 ZINC000833414723 604887293 /nfs/dbraw/zinc/88/72/93/604887293.db2.gz CQORQXWJTWQVPW-HCYCVZQXSA-N -1 0 333.453 3.642 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2occc2-c2ccccc2)C1 ZINC000326862606 604888056 /nfs/dbraw/zinc/88/80/56/604888056.db2.gz USPAUHFNWVBEAR-HNNXBMFYSA-N -1 0 341.407 3.910 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@@H]2CCCc3sccc32)cc1F ZINC000833314913 604888144 /nfs/dbraw/zinc/88/81/44/604888144.db2.gz AWLWFEFZCFNLJK-GFCCVEGCSA-N -1 0 334.368 3.749 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cc3cc(F)ccc3o2)C1 ZINC000679103838 604895145 /nfs/dbraw/zinc/89/51/45/604895145.db2.gz KNHOUVZPKWGSBK-LBPRGKRZSA-N -1 0 333.359 3.535 20 0 EHADRM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000832855475 604899765 /nfs/dbraw/zinc/89/97/65/604899765.db2.gz BBFLEHGEFMVQNN-ZDUSSCGKSA-N -1 0 341.411 3.797 20 0 EHADRM Cc1ccc(NC(=O)c2cccc(NC(=O)[O-])c2)cc1-c1ncco1 ZINC000830395619 604906797 /nfs/dbraw/zinc/90/67/97/604906797.db2.gz IDEWIWATBSSXKQ-UHFFFAOYSA-N -1 0 337.335 3.992 20 0 EHADRM Cc1cc(C)cc(CCC(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)c1 ZINC000832875676 604907560 /nfs/dbraw/zinc/90/75/60/604907560.db2.gz BWPWSKACKOHJKN-KRWDZBQOSA-N -1 0 337.419 3.841 20 0 EHADRM Cc1ccccc1NC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000832979139 604911565 /nfs/dbraw/zinc/91/15/65/604911565.db2.gz VINYCSVESOMDRR-UHFFFAOYSA-N -1 0 334.759 3.756 20 0 EHADRM O=C([O-])c1cncc(NC(=O)[C@H](Oc2ccccc2)c2ccccc2)c1 ZINC000833337582 604911946 /nfs/dbraw/zinc/91/19/46/604911946.db2.gz HRKJBIAJBXBLLP-GOSISDBHSA-N -1 0 348.358 3.539 20 0 EHADRM C[C@@H](CNc1ccccc1)NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000824980394 604927216 /nfs/dbraw/zinc/92/72/16/604927216.db2.gz OPHMACONGPGJPB-NSHDSACASA-N -1 0 347.802 3.660 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)CCCc2cc(F)ccc2F)cc1 ZINC000833775858 604942857 /nfs/dbraw/zinc/94/28/57/604942857.db2.gz STSMCDCBKROSPD-UHFFFAOYSA-N -1 0 333.334 3.553 20 0 EHADRM CC(C)CC(=O)Nc1cc(Br)cc(C(=O)[O-])c1Cl ZINC000833474481 604944574 /nfs/dbraw/zinc/94/45/74/604944574.db2.gz XQZZFXMEOBSQTF-UHFFFAOYSA-N -1 0 334.597 3.785 20 0 EHADRM CC(C)CC[C@@H]1CCCN1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000826845173 604945088 /nfs/dbraw/zinc/94/50/88/604945088.db2.gz QQAQOBGBOJCSMN-HNNXBMFYSA-N -1 0 334.416 3.583 20 0 EHADRM CC(C)Cc1ccc([C@@H](C)C(=O)Nc2nc(CC(=O)[O-])cs2)cc1 ZINC000012027394 604948904 /nfs/dbraw/zinc/94/89/04/604948904.db2.gz FDZJQXQECRZEJA-GFCCVEGCSA-N -1 0 346.452 3.711 20 0 EHADRM COc1ccc2oc(C)c(C(=O)N[C@@]3(C)CCCC[C@H]3C(=O)[O-])c2c1 ZINC000762219609 604960163 /nfs/dbraw/zinc/96/01/63/604960163.db2.gz AZSBDGPCGQBEEL-LIRRHRJNSA-N -1 0 345.395 3.513 20 0 EHADRM C[C@@]1(NC(=O)c2ccc(-c3ccco3)s2)CCCC[C@H]1C(=O)[O-] ZINC000833567052 604963795 /nfs/dbraw/zinc/96/37/95/604963795.db2.gz FNTCHSNOUVOMCS-APPDUMDISA-N -1 0 333.409 3.771 20 0 EHADRM C[C@]1(NC(=O)c2cc(C(F)(F)F)ccc2F)CCCC[C@@H]1C(=O)[O-] ZINC000833567523 604969238 /nfs/dbraw/zinc/96/92/38/604969238.db2.gz NPJUKVXBHUPJKH-ABAIWWIYSA-N -1 0 347.308 3.608 20 0 EHADRM O=C([O-])[C@@H](N[C@H](Cc1ccccc1)c1cccs1)c1cccnc1 ZINC000833167834 604973885 /nfs/dbraw/zinc/97/38/85/604973885.db2.gz QNCWDUOSKZWSIP-AEFFLSMTSA-N -1 0 338.432 3.842 20 0 EHADRM CCc1nc(NC(=O)[C@H](CC)Cc2ccccc2)sc1C(=O)[O-] ZINC000833675282 604995465 /nfs/dbraw/zinc/99/54/65/604995465.db2.gz WPEJTKBUXAMRSZ-GFCCVEGCSA-N -1 0 332.425 3.611 20 0 EHADRM O=C([O-])[C@H](Nc1cccc(COCc2ccco2)c1)c1cccnc1 ZINC000833170380 604995729 /nfs/dbraw/zinc/99/57/29/604995729.db2.gz PYNGEMHIOKDTPF-GOSISDBHSA-N -1 0 338.363 3.629 20 0 EHADRM CCc1nc(NC(=O)CC(C)(C)c2ccccc2)sc1C(=O)[O-] ZINC000833675051 604996343 /nfs/dbraw/zinc/99/63/43/604996343.db2.gz AMIVALKWFUIIHY-UHFFFAOYSA-N -1 0 332.425 3.710 20 0 EHADRM CCC[C@H](C(=O)Nc1nc(CC)c(C(=O)[O-])s1)c1ccccc1 ZINC000833648402 604997341 /nfs/dbraw/zinc/99/73/41/604997341.db2.gz RZBDVDUQJGIBSC-LBPRGKRZSA-N -1 0 332.425 3.926 20 0 EHADRM CCC[C@@H](C)[C@@H]1CCCN1C(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC000829209418 604997488 /nfs/dbraw/zinc/99/74/88/604997488.db2.gz VTUZHVCFBGSOOU-CJNGLKHVSA-N -1 0 348.443 3.504 20 0 EHADRM C[C@H](OC(=O)c1ccccc1Cc1nc2ccccc2s1)C(=O)[O-] ZINC000737716084 605010476 /nfs/dbraw/zinc/01/04/76/605010476.db2.gz FVVAFBUTVYZEND-NSHDSACASA-N -1 0 341.388 3.517 20 0 EHADRM CCC[C@@H](NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1)C(=O)[O-] ZINC000347253400 605023363 /nfs/dbraw/zinc/02/33/63/605023363.db2.gz BECPDENQRUZWKT-CQSZACIVSA-N -1 0 348.786 3.510 20 0 EHADRM C[C@H](C(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1)c1cccc(Cl)c1 ZINC000833411114 605058624 /nfs/dbraw/zinc/05/86/24/605058624.db2.gz LWPMCZBFPTVSLE-VIFPVBQESA-N -1 0 343.770 3.657 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCCc2cc(Cl)cc(F)c21 ZINC000833451930 605068312 /nfs/dbraw/zinc/06/83/12/605068312.db2.gz RMXFLUZJPRCNCF-UHFFFAOYSA-N -1 0 327.783 3.649 20 0 EHADRM CC1(C)CC[C@@H](C(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)C1 ZINC000833557646 605071326 /nfs/dbraw/zinc/07/13/26/605071326.db2.gz URAHQBPZLZHPJA-SECBINFHSA-N -1 0 333.413 3.601 20 0 EHADRM CC(C)(C)c1ccc(-c2nnc(S[C@H](C(=O)[O-])C3CC3)o2)cc1 ZINC000833450380 605072298 /nfs/dbraw/zinc/07/22/98/605072298.db2.gz QWMHVZHEFREARO-ZDUSSCGKSA-N -1 0 332.425 3.989 20 0 EHADRM CC(C)(CNC(=O)C1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000263547974 605081781 /nfs/dbraw/zinc/08/17/81/605081781.db2.gz UYPFSFULOCWAIM-UHFFFAOYSA-N -1 0 337.847 3.625 20 0 EHADRM CC(C)c1ccc(CCCNC(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000194413436 605087385 /nfs/dbraw/zinc/08/73/85/605087385.db2.gz DSWKPUFDIKTECM-UHFFFAOYSA-N -1 0 331.456 3.750 20 0 EHADRM O=C([O-])c1cccc(COc2cc(Cl)cnc2Br)c1 ZINC000833783379 605092734 /nfs/dbraw/zinc/09/27/34/605092734.db2.gz AREIKYQIIHWDRR-UHFFFAOYSA-N -1 0 342.576 3.775 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCC(CCc2ccccc2)CC1 ZINC000191128912 605098028 /nfs/dbraw/zinc/09/80/28/605098028.db2.gz CWYUKFMXSKQCEC-UHFFFAOYSA-N -1 0 331.456 3.749 20 0 EHADRM CCc1nc(C)c([C@H](C)OC(=O)C2CCC(C(=O)[O-])CC2)s1 ZINC000833672425 605120559 /nfs/dbraw/zinc/12/05/59/605120559.db2.gz AIXSHVOXHPPCOM-UNXYVOJBSA-N -1 0 325.430 3.509 20 0 EHADRM C[C@H]1CC[C@@H](NC(=O)NC2CCC(C(=O)[O-])CC2)c2ccccc21 ZINC000263239470 605122729 /nfs/dbraw/zinc/12/27/29/605122729.db2.gz NOMRCFUWFUZUNN-VBRUCIBASA-N -1 0 330.428 3.568 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)N[C@@H](CC2CCCC2)c2ccccc2)C1 ZINC000263284752 605124471 /nfs/dbraw/zinc/12/44/71/605124471.db2.gz UJVZOBXFWVVDKQ-PXNSSMCTSA-N -1 0 344.455 3.814 20 0 EHADRM CC1(C)CC[C@@H](C(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)C1 ZINC000833558220 605125240 /nfs/dbraw/zinc/12/52/40/605125240.db2.gz UUMPPVXPGJOYRC-OAHLLOKOSA-N -1 0 344.455 3.614 20 0 EHADRM CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2ccsc2C(=O)[O-])C1 ZINC000833667114 605127516 /nfs/dbraw/zinc/12/75/16/605127516.db2.gz FPUVNPZMROGNAP-NXEZZACHSA-N -1 0 328.459 3.584 20 0 EHADRM C[C@H]1CCCCN1C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000390107880 605136383 /nfs/dbraw/zinc/13/63/83/605136383.db2.gz SCVNAZIKAJSTDU-VIFPVBQESA-N -1 0 330.306 3.810 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2cccc(-c3nccs3)c2)CC1 ZINC000262688969 605148288 /nfs/dbraw/zinc/14/82/88/605148288.db2.gz DLLJVILBSUIYCC-UHFFFAOYSA-N -1 0 330.409 3.640 20 0 EHADRM CC1(c2ccccc2)CCN(C(=O)c2ccc(C(=O)[O-])s2)CC1 ZINC000262834405 605149079 /nfs/dbraw/zinc/14/90/79/605149079.db2.gz RJEZKUDNLWOHQE-UHFFFAOYSA-N -1 0 329.421 3.640 20 0 EHADRM C[C@H]1CSC(S[C@@H](C(=O)[O-])c2cccc(Br)c2)=N1 ZINC000833631133 605149734 /nfs/dbraw/zinc/14/97/34/605149734.db2.gz HPBNWWDMUUGHSJ-OIBJUYFYSA-N -1 0 346.271 3.799 20 0 EHADRM CCc1[nH]c(C(=O)Nc2c(F)cc(Cl)cc2F)c(C)c1C(=O)[O-] ZINC000833667137 605156051 /nfs/dbraw/zinc/15/60/51/605156051.db2.gz CZGZQCKPHAHMNV-UHFFFAOYSA-N -1 0 342.729 3.768 20 0 EHADRM CC(C)Cn1ncc(NC(=O)Cc2cccc(C(=O)[O-])c2)c1C(C)C ZINC000833494095 605172385 /nfs/dbraw/zinc/17/23/85/605172385.db2.gz RCYSCHGJHXTPHA-UHFFFAOYSA-N -1 0 343.427 3.542 20 0 EHADRM COCc1ccc(S[C@@H](C(=O)[O-])c2cccc(C(=O)OC)c2)cc1 ZINC000833725684 605183819 /nfs/dbraw/zinc/18/38/19/605183819.db2.gz FXXIAFUHZHPITH-MRXNPFEDSA-N -1 0 346.404 3.538 20 0 EHADRM COCc1ccc(S[C@H](C(=O)OC)c2cccc(C(=O)[O-])c2)cc1 ZINC000833725630 605183951 /nfs/dbraw/zinc/18/39/51/605183951.db2.gz BXOFFDCXLRYJRK-INIZCTEOSA-N -1 0 346.404 3.538 20 0 EHADRM CCC[C@H](NS(=O)(=O)c1ccc(C)cc1C(=O)[O-])c1ccccc1 ZINC000833649284 605192012 /nfs/dbraw/zinc/19/20/12/605192012.db2.gz LSZBTVFBFVKDMW-INIZCTEOSA-N -1 0 347.436 3.513 20 0 EHADRM CC(C)Cc1ccc(CCCC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000833494426 605198347 /nfs/dbraw/zinc/19/83/47/605198347.db2.gz PWICKTANRFPACH-SFHVURJKSA-N -1 0 331.456 3.531 20 0 EHADRM CC(C)Cc1ccc(CCCC(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000833493305 605205708 /nfs/dbraw/zinc/20/57/08/605205708.db2.gz KPBNTBWSXOAQSR-UHFFFAOYSA-N -1 0 345.483 3.967 20 0 EHADRM CCO[C@H]1C[C@@H](Nc2ccc(CN(C)C(=O)[O-])cc2)C12CCCC2 ZINC000833659899 605219698 /nfs/dbraw/zinc/21/96/98/605219698.db2.gz JBIZNHXTCLOHKC-SJORKVTESA-N -1 0 332.444 3.946 20 0 EHADRM CC[C@H](C(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccc(OC)cc1 ZINC000192894039 605229385 /nfs/dbraw/zinc/22/93/85/605229385.db2.gz IRIFDBJFFHJNPP-AWEZNQCLSA-N -1 0 331.343 3.665 20 0 EHADRM Cc1cc(N2CCCC2)ccc1NCc1ccc(NC(=O)[O-])nc1 ZINC000830084053 605237777 /nfs/dbraw/zinc/23/77/77/605237777.db2.gz FNHHKQIOKNGOIE-UHFFFAOYSA-N -1 0 326.400 3.692 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)c1ccc(N2CCCCCC2)nc1)C(=O)[O-] ZINC000833429249 605239351 /nfs/dbraw/zinc/23/93/51/605239351.db2.gz IJTZKBLGEZEPMX-HNNXBMFYSA-N -1 0 348.443 3.508 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(OC)cc1C(=O)[O-] ZINC000833641545 605243146 /nfs/dbraw/zinc/24/31/46/605243146.db2.gz FGLNMNPXCDNABZ-UHFFFAOYSA-N -1 0 345.399 3.512 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000761622143 605250205 /nfs/dbraw/zinc/25/02/05/605250205.db2.gz XIUHXVUJGKCQKC-QFBILLFUSA-N -1 0 339.435 3.930 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000761476680 605255966 /nfs/dbraw/zinc/25/59/66/605255966.db2.gz JIXVJQHJYRGHGX-UHFFFAOYSA-N -1 0 342.439 3.765 20 0 EHADRM Cc1nc(C)c(CN[C@H](C(=O)[O-])c2ccc3ccccc3c2)s1 ZINC000833754972 605272800 /nfs/dbraw/zinc/27/28/00/605272800.db2.gz SCHMQYPKOFXPQS-KRWDZBQOSA-N -1 0 326.421 3.829 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)[C@@H](F)Cc1ccccc1)c1ccccc1 ZINC000833411323 605297703 /nfs/dbraw/zinc/29/77/03/605297703.db2.gz CHJXFIKFHSXFKG-DLBZAZTESA-N -1 0 343.398 3.536 20 0 EHADRM C[C@]1(NC(=O)CC2CCC(C(F)(F)F)CC2)CCCC[C@@H]1C(=O)[O-] ZINC000262920820 605299647 /nfs/dbraw/zinc/29/96/47/605299647.db2.gz ZHYSJQKHYMTLRF-CULRUXPZSA-N -1 0 349.393 3.895 20 0 EHADRM CC(C)[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000833468229 605308804 /nfs/dbraw/zinc/30/88/04/605308804.db2.gz DABWEDLHDFIDCT-GWCFXTLKSA-N -1 0 331.334 3.630 20 0 EHADRM CC1=C(C(=O)N[C@H](CC(=O)[O-])c2ccc(C(F)(F)F)cc2)CCC1 ZINC000833575870 605312361 /nfs/dbraw/zinc/31/23/61/605312361.db2.gz OEDNEBKNKWPZJJ-CQSZACIVSA-N -1 0 341.329 3.838 20 0 EHADRM COCCC[C@H](C)C(=O)O[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000833725476 605314613 /nfs/dbraw/zinc/31/46/13/605314613.db2.gz ZGGVWRLOBWBEIB-ZANVPECISA-N -1 0 349.210 3.725 20 0 EHADRM COCCC[C@@H](C)C(=O)O[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000833725473 605314817 /nfs/dbraw/zinc/31/48/17/605314817.db2.gz ZGGVWRLOBWBEIB-NOZJJQNGSA-N -1 0 349.210 3.725 20 0 EHADRM CCOc1cc(-c2nc3ccc(C(=O)[O-])cc3n2C)cc(Cl)c1O ZINC000833660829 605321025 /nfs/dbraw/zinc/32/10/25/605321025.db2.gz GMZWSTRGVYUPBN-UHFFFAOYSA-N -1 0 346.770 3.696 20 0 EHADRM CC[C@@H]1CN(C(=O)c2ccc(Cl)cc2Cl)CC[C@H]1NC(=O)[O-] ZINC000833850839 605340550 /nfs/dbraw/zinc/34/05/50/605340550.db2.gz KNZJNMCRRQGPOG-NOZJJQNGSA-N -1 0 345.226 3.502 20 0 EHADRM Cc1cc(NC(=O)c2ccc(NC(=O)[O-])cc2)nn1[C@H](C)C1CC1 ZINC000833900652 605342353 /nfs/dbraw/zinc/34/23/53/605342353.db2.gz VGSZPZOXYFKZNA-LLVKDONJSA-N -1 0 328.372 3.505 20 0 EHADRM O=C([O-])NC[C@@H]1CCN(c2nc(-c3ccccc3Cl)cs2)C1 ZINC000834226252 605355139 /nfs/dbraw/zinc/35/51/39/605355139.db2.gz VRBJZJXQUBIKPC-JTQLQIEISA-N -1 0 337.832 3.557 20 0 EHADRM C[C@@H]1CCC[C@H]1C(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000833610021 605367607 /nfs/dbraw/zinc/36/76/07/605367607.db2.gz UXXXVOAJHWYJOH-LERXQTSPSA-N -1 0 343.345 3.774 20 0 EHADRM CC1(C)C[C@@H](NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C(C)(C)O1 ZINC000833556272 605398589 /nfs/dbraw/zinc/39/85/89/605398589.db2.gz QMOTUJKKWIGDGM-GFCCVEGCSA-N -1 0 340.807 3.506 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000833382311 605423116 /nfs/dbraw/zinc/42/31/16/605423116.db2.gz CUQAGLALSATEIN-UVTDQMKNSA-N -1 0 325.364 3.500 20 0 EHADRM Cc1cc(C(=O)N(C)[C@@H](C)c2cccc(O)c2)ccc1NC(=O)[O-] ZINC000829909339 605444369 /nfs/dbraw/zinc/44/43/69/605444369.db2.gz OQZQAQDJUGSRBI-LBPRGKRZSA-N -1 0 328.368 3.624 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000249423317 605455159 /nfs/dbraw/zinc/45/51/59/605455159.db2.gz DLPSFCMOGHHLDU-TXPKVOOTSA-N -1 0 339.435 3.752 20 0 EHADRM CC(C)[C@H](C(=O)N(C)c1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000263163373 605459076 /nfs/dbraw/zinc/45/90/76/605459076.db2.gz VPXVWMLLLMYEDS-IBGZPJMESA-N -1 0 341.407 3.553 20 0 EHADRM CN(C(=O)c1csc2ccccc12)c1ccc(OCC(=O)[O-])cc1 ZINC000833688670 605464551 /nfs/dbraw/zinc/46/45/51/605464551.db2.gz WKAQPCOTYDPIRA-UHFFFAOYSA-N -1 0 341.388 3.641 20 0 EHADRM O=C([O-])N[C@H](Cc1nc(-c2ccc(F)c(F)c2)no1)c1ccccc1 ZINC000832149240 605474160 /nfs/dbraw/zinc/47/41/60/605474160.db2.gz XTHFVRLZNTTXGU-CQSZACIVSA-N -1 0 345.305 3.566 20 0 EHADRM Cc1ccc2cc(-c3nc([C@H](CC(C)C)NC(=O)[O-])no3)ccc2n1 ZINC000830453415 605476685 /nfs/dbraw/zinc/47/66/85/605476685.db2.gz IKLRKDYXBDQJFW-HNNXBMFYSA-N -1 0 340.383 3.948 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000833748804 605506127 /nfs/dbraw/zinc/50/61/27/605506127.db2.gz UDFJXMGZTYUYFN-NSHDSACASA-N -1 0 333.334 3.789 20 0 EHADRM CC(C)c1cc(C(=O)O[C@H](C(=O)[O-])c2c(F)cccc2Cl)on1 ZINC000833509849 605510780 /nfs/dbraw/zinc/51/07/80/605510780.db2.gz VYBQAKAZNAZGCI-ZDUSSCGKSA-N -1 0 341.722 3.573 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)c2cnc(C(C)C)s2)c1 ZINC000829469284 605528251 /nfs/dbraw/zinc/52/82/51/605528251.db2.gz KJZLXHUSMBKSNS-UHFFFAOYSA-N -1 0 335.385 3.617 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)N1CC[C@H](NC(=O)[O-])C[C@H]1C)C(C)C ZINC000830553157 605531186 /nfs/dbraw/zinc/53/11/86/605531186.db2.gz FTVHHXBSCZYMIV-HLLBOEOZSA-N -1 0 347.459 3.522 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N[C@H](c2cccnc2)C2CC2)c1 ZINC000834260925 605550339 /nfs/dbraw/zinc/55/03/39/605550339.db2.gz CPGRTRXQUBSASR-HNNXBMFYSA-N -1 0 344.346 3.583 20 0 EHADRM Cc1cc(C(=O)Nc2ccccc2N2CCCC2)ccc1NC(=O)[O-] ZINC000829965876 605578186 /nfs/dbraw/zinc/57/81/86/605578186.db2.gz NOJFIONAEGIXJN-UHFFFAOYSA-N -1 0 339.395 3.937 20 0 EHADRM O=C([O-])N[C@H](CC(=O)N1CCC[C@H]1c1ccsc1)c1ccccc1 ZINC000832093722 605587756 /nfs/dbraw/zinc/58/77/56/605587756.db2.gz PJZZRUSNYYSSDP-CVEARBPZSA-N -1 0 344.436 3.811 20 0 EHADRM C[C@@H](c1ccccc1)N(C(=O)c1cnc(C(=O)[O-])cn1)c1ccccc1 ZINC000833547561 605601941 /nfs/dbraw/zinc/60/19/41/605601941.db2.gz BWMJHZFAFZPTTO-AWEZNQCLSA-N -1 0 347.374 3.583 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N2CC=CCC2)c(C(F)(F)F)c1 ZINC000834263392 605606436 /nfs/dbraw/zinc/60/64/36/605606436.db2.gz VELMQVCLYSWGHE-UHFFFAOYSA-N -1 0 329.278 3.589 20 0 EHADRM O=C([O-])N[C@H](CC(=O)N1CCCC[C@H]1c1ccco1)c1ccccc1 ZINC000834124695 605610034 /nfs/dbraw/zinc/61/00/34/605610034.db2.gz YKVMCGIHUZXESW-CVEARBPZSA-N -1 0 342.395 3.732 20 0 EHADRM C[C@H]1C[C@H](C(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)CC(C)(C)C1 ZINC000649253348 605623823 /nfs/dbraw/zinc/62/38/23/605623823.db2.gz FNEXGJZMZSZJAK-JSGCOSHPSA-N -1 0 344.455 3.736 20 0 EHADRM Cc1cc(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)ccc1NC(=O)[O-] ZINC000829939351 605652987 /nfs/dbraw/zinc/65/29/87/605652987.db2.gz CZIODPCRNBYPQP-GDBMZVCRSA-N -1 0 328.343 3.510 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000740046869 605677113 /nfs/dbraw/zinc/67/71/13/605677113.db2.gz RYGXCEWHJLFHGB-UWVGGRQHSA-N -1 0 330.306 3.627 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)c1ccc(NC(=O)[O-])c(C)c1)C(C)C ZINC000829941071 605693661 /nfs/dbraw/zinc/69/36/61/605693661.db2.gz QKGACIQCBXYZGD-MRXNPFEDSA-N -1 0 341.411 3.915 20 0 EHADRM O=C([O-])NC1CCC(Nc2cccc(OCC(F)(F)F)c2)CC1 ZINC000834168146 605697907 /nfs/dbraw/zinc/69/79/07/605697907.db2.gz NKSDDPXRWBWYEW-UHFFFAOYSA-N -1 0 332.322 3.618 20 0 EHADRM Cc1ccc(C(=O)N2CC=C(c3ccccc3C)C2)cc1NC(=O)[O-] ZINC000833902891 605736263 /nfs/dbraw/zinc/73/62/63/605736263.db2.gz RXIHKOISOYYCNQ-UHFFFAOYSA-N -1 0 336.391 3.933 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc2cccc(Cl)c2n1 ZINC000833478179 605739170 /nfs/dbraw/zinc/73/91/70/605739170.db2.gz CKVWHRJFRVTYHA-GFCCVEGCSA-N -1 0 335.791 3.509 20 0 EHADRM O=C([O-])N[C@H]1CCCCCC[C@@H]1C(=O)Nc1scnc1C1CC1 ZINC000834185481 605757030 /nfs/dbraw/zinc/75/70/30/605757030.db2.gz PTFKIYKPZHLEQY-RYUDHWBXSA-N -1 0 337.445 3.566 20 0 EHADRM CC(C)(CNC(=O)CCCC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000833458250 605761752 /nfs/dbraw/zinc/76/17/52/605761752.db2.gz PVLGCJBDQWCCKK-UHFFFAOYSA-N -1 0 332.227 3.642 20 0 EHADRM O=C([O-])c1ccc(F)c(CN[C@@H](c2nccs2)c2ccccc2)c1 ZINC000833780705 605785502 /nfs/dbraw/zinc/78/55/02/605785502.db2.gz AWOLCRTXAPQVHW-MRXNPFEDSA-N -1 0 342.395 3.860 20 0 EHADRM CCC[C@@H](C(=O)Oc1ccc(CC(=O)[O-])cc1F)c1ccccc1 ZINC000833648808 605797165 /nfs/dbraw/zinc/79/71/65/605797165.db2.gz XHHKAZVNTUBUDG-OAHLLOKOSA-N -1 0 330.355 3.942 20 0 EHADRM O=C([O-])N[C@@H]1C[C@@H](Nc2ccc3c(c2)OCCCO3)c2ccccc21 ZINC000834158107 605807789 /nfs/dbraw/zinc/80/77/89/605807789.db2.gz MJLXEFBUJIBZIL-HZPDHXFCSA-N -1 0 340.379 3.714 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N(CC(F)(F)F)C2CCCC2)c1 ZINC000834265420 605813858 /nfs/dbraw/zinc/81/38/58/605813858.db2.gz VDSJJVFVQZSAAL-UHFFFAOYSA-N -1 0 344.333 3.653 20 0 EHADRM O=C([O-])NCCCCC(=O)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000834234590 605891392 /nfs/dbraw/zinc/89/13/92/605891392.db2.gz OCTVQGZQANIWEQ-UHFFFAOYSA-N -1 0 340.423 3.769 20 0 EHADRM C[C@@H](C(=O)Nc1ccccc1CN(C)C(=O)[O-])c1c(F)cccc1F ZINC000833791202 605925545 /nfs/dbraw/zinc/92/55/45/605925545.db2.gz SWHBRUQRJOICDM-LLVKDONJSA-N -1 0 348.349 3.817 20 0 EHADRM O=C([O-])NCCCCC(=O)N[C@H](c1ccccc1F)C1CCCC1 ZINC000834237110 605925773 /nfs/dbraw/zinc/92/57/73/605925773.db2.gz XKZOSDRDCIASCE-KRWDZBQOSA-N -1 0 336.407 3.611 20 0 EHADRM Cc1nc(NC(=O)[O-])sc1C(=O)N(C)[C@@H](C)c1ccccc1F ZINC000833913440 605940754 /nfs/dbraw/zinc/94/07/54/605940754.db2.gz CBLVFTXRJSQHOX-VIFPVBQESA-N -1 0 337.376 3.514 20 0 EHADRM Cc1noc(C)c1[C@@H](C)Cc1nc(-c2cccc(NC(=O)[O-])c2)no1 ZINC000833929241 605992284 /nfs/dbraw/zinc/99/22/84/605992284.db2.gz LLPZFHXEKBMSLV-VIFPVBQESA-N -1 0 342.355 3.778 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCCO[C@H]1CCCC[C@H]1C ZINC000833906849 606011235 /nfs/dbraw/zinc/01/12/35/606011235.db2.gz OIJVZQRGTWRQLB-CJNGLKHVSA-N -1 0 349.431 3.802 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCc1c(C)cccc1F ZINC000833906948 606011461 /nfs/dbraw/zinc/01/14/61/606011461.db2.gz SQBWVZINEZWNOT-UHFFFAOYSA-N -1 0 331.347 3.854 20 0 EHADRM Cc1ccc([C@@H](NC(=O)Cc2ccccc2NC(=O)[O-])C2CC2)cc1 ZINC000833904747 606044152 /nfs/dbraw/zinc/04/41/52/606044152.db2.gz LBRJJSCLTQTIGZ-LJQANCHMSA-N -1 0 338.407 3.895 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000834271213 606045011 /nfs/dbraw/zinc/04/50/11/606045011.db2.gz QYGKSGHSQKWFDA-KRWDZBQOSA-N -1 0 342.370 3.822 20 0 EHADRM O=C([O-])Nc1ccccc1Cc1nc(CCCc2ccccc2)no1 ZINC000834276181 606045489 /nfs/dbraw/zinc/04/54/89/606045489.db2.gz ZSNVAQTWTMZNFN-UHFFFAOYSA-N -1 0 337.379 3.926 20 0 EHADRM O=C([O-])N1CCC[C@H](Nc2ccccc2OCc2cscn2)CC1 ZINC000834105835 606047201 /nfs/dbraw/zinc/04/72/01/606047201.db2.gz PUFOFYDPOGYIND-ZDUSSCGKSA-N -1 0 347.440 3.667 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N1CCC[C@@H]1C1CCCCC1 ZINC000834271257 606049773 /nfs/dbraw/zinc/04/97/73/606049773.db2.gz RJHSUARSCZRORK-QGZVFWFLSA-N -1 0 330.428 3.890 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)NCc1cc2ccccc2s1 ZINC000834273329 606052701 /nfs/dbraw/zinc/05/27/01/606052701.db2.gz PGRFPAULYDXKAL-UHFFFAOYSA-N -1 0 340.404 3.850 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)NCCCc1ccc(Cl)cc1 ZINC000834272766 606055895 /nfs/dbraw/zinc/05/58/95/606055895.db2.gz JDKVNDLCHXSZNN-UHFFFAOYSA-N -1 0 346.814 3.721 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N[C@H](c1ccccc1)C1CCC1 ZINC000834271835 606060208 /nfs/dbraw/zinc/06/02/08/606060208.db2.gz MMHZKEYDUFBEOV-LJQANCHMSA-N -1 0 338.407 3.977 20 0 EHADRM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000834162531 606070794 /nfs/dbraw/zinc/07/07/94/606070794.db2.gz ZDDQJTYQYRFXBK-GCBAQGIYSA-N -1 0 348.487 3.773 20 0 EHADRM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)CC(C)(C)NC(=O)[O-] ZINC000833912557 606081677 /nfs/dbraw/zinc/08/16/77/606081677.db2.gz LQERKUJYUKVMNO-LLVKDONJSA-N -1 0 341.477 3.531 20 0 EHADRM Cc1ccc(SCCC(=O)NC2(CC(=O)[O-])CCCC2)cc1C ZINC000321359294 970763821 /nfs/dbraw/zinc/76/38/21/970763821.db2.gz BEJCWCYFBFDQDX-UHFFFAOYSA-N -1 0 335.469 3.689 20 0 EHADRM CCO[C@@H]1C[C@@](NC(=O)CCCC2CCCCC2)(C(=O)[O-])C1(C)C ZINC000193049192 939041373 /nfs/dbraw/zinc/04/13/73/939041373.db2.gz VUVIYLWQYQPEHH-DNVCBOLYSA-N -1 0 339.476 3.512 20 0 EHADRM CC(C)Sc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000236630175 939043592 /nfs/dbraw/zinc/04/35/92/939043592.db2.gz XWMQQRACYBZUFS-MRXNPFEDSA-N -1 0 329.421 3.743 20 0 EHADRM Cc1cc2cc(NC(=O)N[C@@H](C(=O)[O-])c3ccccc3F)ccc2[nH]1 ZINC000684744533 939046586 /nfs/dbraw/zinc/04/65/86/939046586.db2.gz JNBLERBBDMFKON-MRXNPFEDSA-N -1 0 341.342 3.563 20 0 EHADRM O=C([O-])[C@H](NC(=O)CCCc1ccc(Cl)cc1)c1ccccc1 ZINC000238011253 939054690 /nfs/dbraw/zinc/05/46/90/939054690.db2.gz ORUCPBRRUJLSKA-QGZVFWFLSA-N -1 0 331.799 3.605 20 0 EHADRM COc1ccc([C@@H](NC(=O)CCC2CCCC2)C(=O)[O-])cc1Cl ZINC000262867666 939081298 /nfs/dbraw/zinc/08/12/98/939081298.db2.gz ATIXWAXIGDSZFH-MRXNPFEDSA-N -1 0 339.819 3.561 20 0 EHADRM C[C@](NC(=O)CCC1CC1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000262896275 939084125 /nfs/dbraw/zinc/08/41/25/939084125.db2.gz DJAWHRYRAMJCHS-OAHLLOKOSA-N -1 0 330.211 3.600 20 0 EHADRM CC[C@](NC(=O)/C=C(/C)c1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC000766971594 939085134 /nfs/dbraw/zinc/08/51/34/939085134.db2.gz UJHADMHRNPLRIU-CLEWGBKMSA-N -1 0 341.382 3.735 20 0 EHADRM CC[C@@](NC(=O)/C=C(\C)c1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC000766971593 939085249 /nfs/dbraw/zinc/08/52/49/939085249.db2.gz UJHADMHRNPLRIU-AIGDTVQASA-N -1 0 341.382 3.735 20 0 EHADRM CC1=C(C(=O)N[C@@](C)(C(=O)[O-])c2ccc(Cl)c(Cl)c2)CCC1 ZINC000263061752 939096583 /nfs/dbraw/zinc/09/65/83/939096583.db2.gz QPJCFGLPAJHQNZ-MRXNPFEDSA-N -1 0 342.222 3.910 20 0 EHADRM Cc1cc(OC(C)C)ccc1NC(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000780452214 939123454 /nfs/dbraw/zinc/12/34/54/939123454.db2.gz SPVSFFBAYLEJGV-QGZVFWFLSA-N -1 0 342.395 3.730 20 0 EHADRM O=C([O-])C1(NC(=O)CCc2ccc(Cl)c(Cl)c2)CCCCC1 ZINC000342597798 939128288 /nfs/dbraw/zinc/12/82/88/939128288.db2.gz PCFRBTUEHKCXFW-UHFFFAOYSA-N -1 0 344.238 3.830 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1cccc(C(F)F)c1)C1CCCCC1 ZINC000386255654 939132901 /nfs/dbraw/zinc/13/29/01/939132901.db2.gz SYWORGYNVQHESO-ZDUSSCGKSA-N -1 0 326.343 3.779 20 0 EHADRM C[C@H]1CCc2sc(C(=O)N[C@](C)(C(=O)[O-])c3ccccc3)cc2C1 ZINC000392046108 939136789 /nfs/dbraw/zinc/13/67/89/939136789.db2.gz RHBKZAIUDNMFHB-BUXKBTBVSA-N -1 0 343.448 3.603 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CCC[C@H](F)C1)c1ccc2ccccc2c1 ZINC000425244586 939141614 /nfs/dbraw/zinc/14/16/14/939141614.db2.gz SCTCHGGAQOVVSI-IKGGRYGDSA-N -1 0 329.371 3.610 20 0 EHADRM CCc1ccc(NC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc1F ZINC000797744975 939207414 /nfs/dbraw/zinc/20/74/14/939207414.db2.gz LLKDCXJHLSNMLA-SFHVURJKSA-N -1 0 330.359 3.510 20 0 EHADRM Cc1cc([C@H](NC(=O)[C@@H]2CCCc3sccc32)C(=O)[O-])ccc1F ZINC000455882041 939208350 /nfs/dbraw/zinc/20/83/50/939208350.db2.gz ILYQHMXPWXIZOX-CJNGLKHVSA-N -1 0 347.411 3.558 20 0 EHADRM Cc1cc2cc(NC(=O)NC3(C(=O)[O-])CCCCCC3)ccc2[nH]1 ZINC000516560655 939244601 /nfs/dbraw/zinc/24/46/01/939244601.db2.gz IEMGLAANTWGLBA-UHFFFAOYSA-N -1 0 329.400 3.775 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)N[C@@H](C(=O)[O-])c2cccs2)c1C ZINC000516704773 939245665 /nfs/dbraw/zinc/24/56/65/939245665.db2.gz CHYXWKWEFMMCFM-SWLSCSKDSA-N -1 0 332.425 3.551 20 0 EHADRM COc1cccc(NC(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)c1C ZINC000900330054 939275250 /nfs/dbraw/zinc/27/52/50/939275250.db2.gz GFDQZSAOHKSARO-KRWDZBQOSA-N -1 0 342.395 3.568 20 0 EHADRM CCC1CCC(NC(=O)c2cc3cc(F)ccc3o2)(C(=O)[O-])CC1 ZINC000540701059 939290790 /nfs/dbraw/zinc/29/07/90/939290790.db2.gz DODNMANMJAQNGD-UHFFFAOYSA-N -1 0 333.359 3.725 20 0 EHADRM Cc1cc(C)cc(NC(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)c1 ZINC000555769668 939302139 /nfs/dbraw/zinc/30/21/39/939302139.db2.gz WDXZEEMSWXNTLP-QGZVFWFLSA-N -1 0 326.396 3.868 20 0 EHADRM COc1ccc([C@H](NC(=O)Nc2ccccc2C)C(=O)[O-])cc1Cl ZINC000555771652 939302693 /nfs/dbraw/zinc/30/26/93/939302693.db2.gz OKNXVSYWAMBVDV-HNNXBMFYSA-N -1 0 348.786 3.604 20 0 EHADRM Cc1cc(F)cc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)c1 ZINC000569890637 939378895 /nfs/dbraw/zinc/37/88/95/939378895.db2.gz QXADYSYOHQSWOI-MRXNPFEDSA-N -1 0 330.359 3.698 20 0 EHADRM O=C([O-])[C@@H](NC(=O)NCc1cccc2ccccc21)c1ccsc1 ZINC000572075796 939396206 /nfs/dbraw/zinc/39/62/06/939396206.db2.gz HKAAFQRUHWCLHS-INIZCTEOSA-N -1 0 340.404 3.526 20 0 EHADRM O=C([O-])[C@H](NC(=O)CC[C@H]1CCc2ccccc21)c1cccs1 ZINC000909638862 939724850 /nfs/dbraw/zinc/72/48/50/939724850.db2.gz SFDQVXXSGGUBEZ-CXAGYDPISA-N -1 0 329.421 3.500 20 0 EHADRM CC1(C)C[C@@H](NC(=O)N[C@H](C(=O)[O-])c2ccsc2)c2ccccc21 ZINC000576063435 939736544 /nfs/dbraw/zinc/73/65/44/939736544.db2.gz UBDHWICFHQPMSN-CABCVRRESA-N -1 0 344.436 3.596 20 0 EHADRM CC1CCN(C(=O)N[C@H](C(=O)[O-])c2c(Cl)cccc2Cl)CC1 ZINC000576901779 939742840 /nfs/dbraw/zinc/74/28/40/939742840.db2.gz PJUZMLPKCAIRGU-ZDUSSCGKSA-N -1 0 345.226 3.561 20 0 EHADRM CCC[C@@H](C(=O)N[C@H](C(=O)[O-])c1cccnc1)c1cccc(Cl)c1 ZINC000910987609 939766063 /nfs/dbraw/zinc/76/60/63/939766063.db2.gz CBGQYLIFVJOSTQ-CVEARBPZSA-N -1 0 346.814 3.561 20 0 EHADRM CCO[C@H]1C[C@](NC(=O)Nc2ccccc2C(C)C)(C(=O)[O-])C1(C)C ZINC000581287887 939777057 /nfs/dbraw/zinc/77/70/57/939777057.db2.gz SLKGMQDPTLXGHD-KXBFYZLASA-N -1 0 348.443 3.590 20 0 EHADRM Cc1cc(C)cc([C@H](NC(=O)Nc2ccc(C)c(C)c2)C(=O)[O-])c1 ZINC000581525781 939778245 /nfs/dbraw/zinc/77/82/45/939778245.db2.gz BJQYBAVGWJELCX-KRWDZBQOSA-N -1 0 326.396 3.868 20 0 EHADRM CCCOc1ccc(NC(=O)N[C@@](C)(C(=O)[O-])C2CC2)cc1Cl ZINC000581685727 939779670 /nfs/dbraw/zinc/77/96/70/939779670.db2.gz HEOBUTLDWDFDIJ-MRXNPFEDSA-N -1 0 340.807 3.504 20 0 EHADRM CCOc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1Cl ZINC000582744380 939786841 /nfs/dbraw/zinc/78/68/41/939786841.db2.gz BVRAQXLKWBPRGM-HNNXBMFYSA-N -1 0 348.786 3.686 20 0 EHADRM C[C@H](NC(=O)[C@H](C(=O)[O-])C1CCCC1)c1ccc(Cl)c(F)c1 ZINC001118574460 939812484 /nfs/dbraw/zinc/81/24/84/939812484.db2.gz IFBKBDZQEGQIPS-LKFCYVNXSA-N -1 0 327.783 3.547 20 0 EHADRM O=C([O-])[C@H](NC(=O)CCc1ccc(C(F)F)cc1)c1cccs1 ZINC000630173601 939814065 /nfs/dbraw/zinc/81/40/65/939814065.db2.gz AGJPFHPWCWHIBY-CQSZACIVSA-N -1 0 339.363 3.560 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CCc1ccc(C(F)F)cc1)C1CCCCC1 ZINC000630217282 939819126 /nfs/dbraw/zinc/81/91/26/939819126.db2.gz RASWELUNEVNYGH-INIZCTEOSA-N -1 0 339.382 3.707 20 0 EHADRM COc1cccc([C@H](NC(=O)Nc2ccccc2C(C)C)C(=O)[O-])c1 ZINC000656475458 939843468 /nfs/dbraw/zinc/84/34/68/939843468.db2.gz VCENNZKNSOUTMX-KRWDZBQOSA-N -1 0 342.395 3.766 20 0 EHADRM CCC[C@@H](C)NC(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000684711064 939871362 /nfs/dbraw/zinc/87/13/62/939871362.db2.gz ONRUGPYQPLUKKF-RFAUZJTJSA-N -1 0 347.242 3.781 20 0 EHADRM CCCC(=O)Nc1cccc(NC(=O)[C@H](C(=O)[O-])C2CCCC2)c1C ZINC000663090263 939854109 /nfs/dbraw/zinc/85/41/09/939854109.db2.gz CJNXWQXJGHFWFK-QGZVFWFLSA-N -1 0 346.427 3.563 20 0 EHADRM C[C@@H](Nc1ccc(NC(=O)[C@H](C(=O)[O-])C2CC2)cc1)c1ccccc1 ZINC000663096374 939854546 /nfs/dbraw/zinc/85/45/46/939854546.db2.gz LVMUGUKFMRWPKO-FZKQIMNGSA-N -1 0 338.407 3.909 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000675979164 939864080 /nfs/dbraw/zinc/86/40/80/939864080.db2.gz CGTBUFSGTFNKOW-JLTOFOAXSA-N -1 0 343.398 3.511 20 0 EHADRM C[C@@](NC(=O)C[C@H]1CCCc2ccccc21)(C(=O)[O-])c1ccccc1 ZINC000675980548 939864921 /nfs/dbraw/zinc/86/49/21/939864921.db2.gz VVLMEZGCBUJZQN-IERDGZPVSA-N -1 0 337.419 3.613 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000675981034 939865481 /nfs/dbraw/zinc/86/54/81/939865481.db2.gz DULZVSDXLONUEI-QRWLVFNGSA-N -1 0 325.408 3.605 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000675982585 939866113 /nfs/dbraw/zinc/86/61/13/939866113.db2.gz UYYOWPXMFYFQMO-XOBRGWDASA-N -1 0 343.398 3.511 20 0 EHADRM C[C@H](NC(=O)N[C@H](C(=O)[O-])C1CCCCC1)c1cc2ccccc2o1 ZINC000679539311 939869703 /nfs/dbraw/zinc/86/97/03/939869703.db2.gz BZBLJRHGCQTHFE-SJCJKPOMSA-N -1 0 344.411 3.827 20 0 EHADRM CN(Cc1ccc(Cl)cc1)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000321621978 970790251 /nfs/dbraw/zinc/79/02/51/970790251.db2.gz ULMDRSFDLOBKGD-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N2CCc3ccc(C(=O)[O-])cc32)c1 ZINC000321657401 970794036 /nfs/dbraw/zinc/79/40/36/970794036.db2.gz LIHVGQMKRCVHLR-UHFFFAOYSA-N -1 0 347.823 3.963 20 0 EHADRM C[C@H](NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)C1CCCCC1 ZINC000321813652 970811573 /nfs/dbraw/zinc/81/15/73/970811573.db2.gz ZMUHYXGYMHQDNV-VIFPVBQESA-N -1 0 326.343 3.753 20 0 EHADRM Cc1cccc2c1N(C(=O)c1ccc(OCC(=O)[O-])cc1)CC[C@@H]2C ZINC001600558067 970826149 /nfs/dbraw/zinc/82/61/49/970826149.db2.gz DJTCXXOLVSNSBL-ZDUSSCGKSA-N -1 0 339.391 3.612 20 0 EHADRM Cc1nc([C@H]2CCCN2C(=O)Nc2ccc(C(=O)[O-])cc2F)cs1 ZINC001600717511 970851738 /nfs/dbraw/zinc/85/17/38/970851738.db2.gz KQLRDGGUUMGUKV-CQSZACIVSA-N -1 0 349.387 3.658 20 0 EHADRM CC1(C)CCC[C@@H](NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000322620300 970911192 /nfs/dbraw/zinc/91/11/92/970911192.db2.gz RLNCKJARDKPWOQ-SECBINFHSA-N -1 0 326.343 3.753 20 0 EHADRM O=C([O-])c1cccc(F)c1NC(=O)c1csc(-c2cccs2)n1 ZINC000322753057 970926114 /nfs/dbraw/zinc/92/61/14/970926114.db2.gz XOUGGTPNQBEPBO-UHFFFAOYSA-N -1 0 348.380 3.961 20 0 EHADRM CCc1occc1C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000322998938 970956641 /nfs/dbraw/zinc/95/66/41/970956641.db2.gz RGOOJRHGZZXLDP-UHFFFAOYSA-N -1 0 327.258 3.811 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)Nc2cccc(CC(F)(F)F)c2)o1 ZINC001601238521 970964925 /nfs/dbraw/zinc/96/49/25/970964925.db2.gz OOHKFZPWTPWTSP-FNORWQNLSA-N -1 0 339.269 3.735 20 0 EHADRM COc1cc(NC(=O)c2cc(SC)ccc2C)ccc1C(=O)[O-] ZINC000323259671 970983113 /nfs/dbraw/zinc/98/31/13/970983113.db2.gz BOBJDIMYCPAZJQ-UHFFFAOYSA-N -1 0 331.393 3.676 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)N[C@H]2CCc3ccc(Cl)cc32)c1 ZINC001601542368 971012250 /nfs/dbraw/zinc/01/22/50/971012250.db2.gz XGRBYOFJSSGFRA-INIZCTEOSA-N -1 0 344.798 3.525 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)c1ccc(COc2ccccc2)cc1 ZINC001601623997 971032633 /nfs/dbraw/zinc/03/26/33/971032633.db2.gz WCFOCFINQVYBJT-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM Cc1cc(Cl)ccc1NC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000323801180 971039599 /nfs/dbraw/zinc/03/95/99/971039599.db2.gz LCQUGSUCEATYBR-UHFFFAOYSA-N -1 0 332.787 3.711 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)c1cnc2ccccc2c1 ZINC000323793886 971039807 /nfs/dbraw/zinc/03/98/07/971039807.db2.gz JGPMCKJPLVCMQE-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM O=C([O-])CCSCC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC001611454601 971060701 /nfs/dbraw/zinc/06/07/01/971060701.db2.gz XYHIVLPBMSXMCV-UHFFFAOYSA-N -1 0 341.738 3.505 20 0 EHADRM Cc1sc(NC(=O)c2cc(-c3ccccc3)no2)c(C(=O)[O-])c1C ZINC000324034120 971076585 /nfs/dbraw/zinc/07/65/85/971076585.db2.gz PLKVNEYTVZCAOE-UHFFFAOYSA-N -1 0 342.376 3.970 20 0 EHADRM CC(C)(C)[C@H]1CCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000324047608 971077096 /nfs/dbraw/zinc/07/70/96/971077096.db2.gz XPSCHNJWDGDCNC-VIFPVBQESA-N -1 0 326.343 3.563 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)[C@@H]1CCc2ccccc2C1 ZINC000324109563 971084494 /nfs/dbraw/zinc/08/44/94/971084494.db2.gz QIHKWKXFKHKQLB-CYBMUJFWSA-N -1 0 329.783 3.782 20 0 EHADRM C[C@H]1CCC[C@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC000324144722 971088524 /nfs/dbraw/zinc/08/85/24/971088524.db2.gz WVOKNZRFVDABFO-UWVGGRQHSA-N -1 0 326.343 3.753 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)CCCCCc2ccc(O)cc2)C1 ZINC001601975669 971097084 /nfs/dbraw/zinc/09/70/84/971097084.db2.gz POQGUKSMMYDERW-KRWDZBQOSA-N -1 0 347.455 3.599 20 0 EHADRM Cc1nc(-c2c[nH]c(C(=O)Nc3ccc(F)c(C(=O)[O-])c3)c2)cs1 ZINC000324260975 971102245 /nfs/dbraw/zinc/10/22/45/971102245.db2.gz JTQJKHOFROJUJD-UHFFFAOYSA-N -1 0 345.355 3.536 20 0 EHADRM COc1ccc(CCC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1Cl ZINC000324316487 971108335 /nfs/dbraw/zinc/10/83/35/971108335.db2.gz GJOONLQRXVQPAK-UHFFFAOYSA-N -1 0 347.798 3.927 20 0 EHADRM O=C([O-])c1ccc(-c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 ZINC000324699704 971149821 /nfs/dbraw/zinc/14/98/21/971149821.db2.gz PFHWAZPPAUJIKF-UHFFFAOYSA-N -1 0 339.372 3.947 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000324723443 971151739 /nfs/dbraw/zinc/15/17/39/971151739.db2.gz GKMAOOJMECPFHS-LLVKDONJSA-N -1 0 344.333 3.814 20 0 EHADRM Cc1cc([C@H](C)NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c(C)s1 ZINC000324727643 971151743 /nfs/dbraw/zinc/15/17/43/971151743.db2.gz WBBIKSUJKONGIB-LBPRGKRZSA-N -1 0 346.452 3.966 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(Cl)c3ccccc3n2)c(F)c1 ZINC000324727672 971151769 /nfs/dbraw/zinc/15/17/69/971151769.db2.gz HAPGFDURBNASIP-UHFFFAOYSA-N -1 0 344.729 3.978 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCCCOc1cc(C)ccc1C ZINC000324893305 971167986 /nfs/dbraw/zinc/16/79/86/971167986.db2.gz OMCLDYLFBKMQMC-UHFFFAOYSA-N -1 0 330.380 3.858 20 0 EHADRM CC(C)(C)c1csc(NC(=O)NCCc2cccc(C(=O)[O-])c2)n1 ZINC000325025808 971177810 /nfs/dbraw/zinc/17/78/10/971177810.db2.gz HQDAZQVNAQTYFY-UHFFFAOYSA-N -1 0 347.440 3.503 20 0 EHADRM O=C([O-])c1nn(-c2ccccc2)cc1OCc1c(F)cccc1Cl ZINC000325100454 971184301 /nfs/dbraw/zinc/18/43/01/971184301.db2.gz RVBVDAMJYVTISU-UHFFFAOYSA-N -1 0 346.745 3.942 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC000325253556 971198418 /nfs/dbraw/zinc/19/84/18/971198418.db2.gz LNEZHKLNGGSTJC-GVDBMIGSSA-N -1 0 329.440 3.650 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)c1ncccc1Oc1ccccc1 ZINC001602471015 971204711 /nfs/dbraw/zinc/20/47/11/971204711.db2.gz HSFQEWMDQKNJOO-UHFFFAOYSA-N -1 0 348.358 3.502 20 0 EHADRM CCc1ccccc1CNC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000325412046 971213471 /nfs/dbraw/zinc/21/34/71/971213471.db2.gz UEWADKKPEGUFCT-UHFFFAOYSA-N -1 0 326.396 3.588 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N[C@H]2CCCc3sccc32)cc1 ZINC000325422392 971214467 /nfs/dbraw/zinc/21/44/67/971214467.db2.gz XGFXCKCXIDUYCQ-HNNXBMFYSA-N -1 0 344.436 3.964 20 0 EHADRM Cc1ccccc1[C@@H](C)NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000325474360 971219229 /nfs/dbraw/zinc/21/92/29/971219229.db2.gz GMSLVQCLGJWTBS-CQSZACIVSA-N -1 0 326.396 3.895 20 0 EHADRM CC(C)CCC[C@@H](C)NC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000325770403 971241335 /nfs/dbraw/zinc/24/13/35/971241335.db2.gz UCJFDNUKPSACNG-RHSMWYFYSA-N -1 0 332.444 3.595 20 0 EHADRM C[C@H](C(=O)Nc1ccc(Cl)cc1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000326031286 971262356 /nfs/dbraw/zinc/26/23/56/971262356.db2.gz WHGKHMZTHFENSW-VIFPVBQESA-N -1 0 348.742 3.689 20 0 EHADRM CCc1ccc(NC(=O)Cc2cc(Cl)ccc2OC)c(C(=O)[O-])c1 ZINC000326644369 971312745 /nfs/dbraw/zinc/31/27/45/971312745.db2.gz YIQNBSBCJRFMLT-UHFFFAOYSA-N -1 0 347.798 3.790 20 0 EHADRM CCC1CCC(NC(=O)c2ccc(N(CC)CC)cc2)(C(=O)[O-])CC1 ZINC000326686517 971317101 /nfs/dbraw/zinc/31/71/01/971317101.db2.gz PKXLFXDFLILXQG-UHFFFAOYSA-N -1 0 346.471 3.686 20 0 EHADRM CCc1ccc(NC(=O)c2nc(C(C)C)ncc2Cl)c(C(=O)[O-])c1 ZINC000326777886 971327006 /nfs/dbraw/zinc/32/70/06/971327006.db2.gz SYMZDOKWYHGCGY-UHFFFAOYSA-N -1 0 347.802 3.766 20 0 EHADRM CCCCc1ccc(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1 ZINC000326931501 971346790 /nfs/dbraw/zinc/34/67/90/971346790.db2.gz KNZKGCNKCRZWMQ-IBGZPJMESA-N -1 0 337.419 3.853 20 0 EHADRM CCC1CCC(CNC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)CC1 ZINC000327134989 971369973 /nfs/dbraw/zinc/36/99/73/971369973.db2.gz UDUSNXJTHPGBRJ-JTTJXQCZSA-N -1 0 344.455 3.596 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000327202715 971375883 /nfs/dbraw/zinc/37/58/83/971375883.db2.gz PAQJHJBKDXRKAT-HIFRSBDPSA-N -1 0 340.379 3.806 20 0 EHADRM Cc1cccc(C2(C(=O)Nc3cccc(OCC(=O)[O-])c3)CCC2)c1 ZINC000327407956 971396698 /nfs/dbraw/zinc/39/66/98/971396698.db2.gz WOVQBFUTSPEPIT-UHFFFAOYSA-N -1 0 339.391 3.519 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H]1NC(=O)Nc1ccccc1Oc1ccccc1 ZINC000327469445 971401169 /nfs/dbraw/zinc/40/11/69/971401169.db2.gz FXCLNYATCZPIKO-GJZGRUSLSA-N -1 0 340.379 3.854 20 0 EHADRM CC(C)(C)c1ccccc1C(=O)N1C[C@@H](C(=O)[O-])Cc2ccccc21 ZINC000327640238 971413996 /nfs/dbraw/zinc/41/39/96/971413996.db2.gz SDJBUDNOUCHZHF-HNNXBMFYSA-N -1 0 337.419 3.888 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)Cc2ccc3c(c2)CCCC3)c1F ZINC000327721672 971422053 /nfs/dbraw/zinc/42/20/53/971422053.db2.gz GANDVOFIFQOLQB-UHFFFAOYSA-N -1 0 345.345 3.723 20 0 EHADRM COc1cc(NC(=O)c2cc(C)nc3ccccc32)ccc1C(=O)[O-] ZINC000327956532 971436950 /nfs/dbraw/zinc/43/69/50/971436950.db2.gz UHJQMIOIXITSGI-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1N1CCCCC1 ZINC000328436000 971473569 /nfs/dbraw/zinc/47/35/69/971473569.db2.gz VTPOEIYWKMHVKD-LSDHHAIUSA-N -1 0 330.428 3.506 20 0 EHADRM CC(=O)c1ccc(NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc1C ZINC001602772519 971504037 /nfs/dbraw/zinc/50/40/37/971504037.db2.gz CPEZLLQRFPEGFN-HNNXBMFYSA-N -1 0 334.416 3.599 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC001589562080 948828300 /nfs/dbraw/zinc/82/83/00/948828300.db2.gz PBJJQBNZQXDHAF-CYBMUJFWSA-N -1 0 327.380 3.606 20 0 EHADRM CC[C@H](NC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)C1CCCC1 ZINC001589565051 948853317 /nfs/dbraw/zinc/85/33/17/948853317.db2.gz YZQFGIMNGZNRRK-IXDOHACOSA-N -1 0 330.428 3.568 20 0 EHADRM CCCC[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000345206639 971519077 /nfs/dbraw/zinc/51/90/77/971519077.db2.gz HJMAGDLMAQBBMI-GOSISDBHSA-N -1 0 325.408 3.656 20 0 EHADRM CCCC[C@H](NC(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000347256051 971521740 /nfs/dbraw/zinc/52/17/40/971521740.db2.gz DXQZXQNGYDWCTR-FZMZJTMJSA-N -1 0 345.361 3.644 20 0 EHADRM CCC[C@H](NC(=O)c1cc(C2CC2)nc2ccc(Cl)cc21)C(=O)[O-] ZINC000347385466 971524709 /nfs/dbraw/zinc/52/47/09/971524709.db2.gz OPSBUDLYXFJJDS-HNNXBMFYSA-N -1 0 346.814 3.749 20 0 EHADRM O=C([O-])CN(Cc1ccccc1)C(=O)c1cc2cc(F)ccc2s1 ZINC000347366288 971524876 /nfs/dbraw/zinc/52/48/76/971524876.db2.gz MHRCSHAWWTWAKF-UHFFFAOYSA-N -1 0 343.379 3.767 20 0 EHADRM CCCC[C@H](CC)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000347437457 971526207 /nfs/dbraw/zinc/52/62/07/971526207.db2.gz YBWBMUUICFANEZ-KSSFIOAISA-N -1 0 344.455 3.886 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NC[C@H]1CCC(C)(C)c2ccccc21 ZINC000353936201 971528822 /nfs/dbraw/zinc/52/88/22/971528822.db2.gz ZAIUFLZBEBNOLM-CQSZACIVSA-N -1 0 331.456 3.849 20 0 EHADRM C[C@@H](CNC(=O)c1cc(C(=O)[O-])co1)c1c(Cl)cccc1Cl ZINC000352386358 971528889 /nfs/dbraw/zinc/52/88/89/971528889.db2.gz WURVLHONMHTQEE-QMMMGPOBSA-N -1 0 342.178 3.818 20 0 EHADRM CC(C)c1nn(C)cc1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000352867277 971529123 /nfs/dbraw/zinc/52/91/23/971529123.db2.gz PGDBAZXYUAMOKP-UHFFFAOYSA-N -1 0 343.408 3.709 20 0 EHADRM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCC1(C(=O)[O-])CCC1 ZINC001589585777 949048716 /nfs/dbraw/zinc/04/87/16/949048716.db2.gz MGJITZKHHQYLFA-IRXDYDNUSA-N -1 0 344.455 3.609 20 0 EHADRM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001589586888 949060402 /nfs/dbraw/zinc/06/04/02/949060402.db2.gz ZEYQKKWAUJUPGR-IJDCCNJMSA-N -1 0 343.379 3.609 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC2(c3ccc(F)cc3)CCCC2)cc1 ZINC001595215560 949222573 /nfs/dbraw/zinc/22/25/73/949222573.db2.gz PFRLONGZNUTEJG-UHFFFAOYSA-N -1 0 327.355 3.723 20 0 EHADRM CCC1=C(C(=O)N2C[C@@H](CCC(=O)[O-])Cc3ccccc32)CCCO1 ZINC001589613382 949346051 /nfs/dbraw/zinc/34/60/51/949346051.db2.gz LYEUCWTYAHCZRW-AWEZNQCLSA-N -1 0 343.423 3.531 20 0 EHADRM CCC1(c2ccccc2)CN(C(=O)C2(C(=O)[O-])CCCCCC2)C1 ZINC001589613834 949352255 /nfs/dbraw/zinc/35/22/55/949352255.db2.gz XVKYELBEBCDXBC-UHFFFAOYSA-N -1 0 329.440 3.602 20 0 EHADRM CC[C@@H]1CCCN(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)CC1 ZINC001589621024 949411565 /nfs/dbraw/zinc/41/15/65/949411565.db2.gz GERIIXISWIKMSU-KBRIMQKVSA-N -1 0 330.428 3.521 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1cc(-c2ccccn2)ccc1Cl)C(=O)[O-] ZINC000190681235 949502319 /nfs/dbraw/zinc/50/23/19/949502319.db2.gz DWHBJPIJCLUKDY-MRXNPFEDSA-N -1 0 346.814 3.631 20 0 EHADRM O=C([O-])c1cccc(CNc2cccc(-c3n[nH]c(C4CC4)n3)c2)c1 ZINC001595244699 949504367 /nfs/dbraw/zinc/50/43/67/949504367.db2.gz LEJBDABDHPECRJ-UHFFFAOYSA-N -1 0 334.379 3.659 20 0 EHADRM O=C([O-])c1cccc(COc2nc(-c3ccccc3Cl)no2)c1 ZINC001595248232 949518452 /nfs/dbraw/zinc/51/84/52/949518452.db2.gz HPXBICRYFWHSNY-UHFFFAOYSA-N -1 0 330.727 3.667 20 0 EHADRM CCC[C@]1(C)CCCN(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)C1 ZINC001589635089 949606393 /nfs/dbraw/zinc/60/63/93/949606393.db2.gz BPMNQWGNIOFOFL-UXHICEINSA-N -1 0 346.471 3.641 20 0 EHADRM CCCCC[C@H](NC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)C(C)(C)C ZINC001589642530 949710877 /nfs/dbraw/zinc/71/08/77/949710877.db2.gz XRTIUWXDHZOIAY-KKUMJFAQSA-N -1 0 326.481 3.734 20 0 EHADRM CCCCOc1ccc(OC)cc1NC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001589653899 949796871 /nfs/dbraw/zinc/79/68/71/949796871.db2.gz AJYHXLIEKKTBNZ-QGZVFWFLSA-N -1 0 349.427 3.704 20 0 EHADRM O=C([O-])c1cncc(NC(=O)N(Cc2cccc(F)c2)C2CCC2)c1 ZINC001595270455 949821098 /nfs/dbraw/zinc/82/10/98/949821098.db2.gz DGWPTNXLAQUGMT-UHFFFAOYSA-N -1 0 343.358 3.506 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)C(CC)(CC)c1ccc(Cl)cc1 ZINC001589660200 949861923 /nfs/dbraw/zinc/86/19/23/949861923.db2.gz GKXGNAOYKQAVTK-UHFFFAOYSA-N -1 0 325.836 3.721 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000236425738 949898670 /nfs/dbraw/zinc/89/86/70/949898670.db2.gz DJEAJYNEKOGXAK-QMMMGPOBSA-N -1 0 333.171 3.593 20 0 EHADRM CC(C)C[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000236600037 949927071 /nfs/dbraw/zinc/92/70/71/949927071.db2.gz WHJBYIXLHJVURH-SFHVURJKSA-N -1 0 325.408 3.512 20 0 EHADRM CCCN(CC(=O)[O-])Cc1c(F)c(Cl)ccc1Br ZINC001589669843 949930719 /nfs/dbraw/zinc/93/07/19/949930719.db2.gz QLUPGSLEEWGLQE-UHFFFAOYSA-N -1 0 338.604 3.538 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000237520327 949964921 /nfs/dbraw/zinc/96/49/21/949964921.db2.gz UCUUJLJAFPEKJO-GOEBONIOSA-N -1 0 335.469 3.554 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000261952403 950052346 /nfs/dbraw/zinc/05/23/46/950052346.db2.gz WOYVSARWMJCOMH-BXKDBHETSA-N -1 0 335.787 3.577 20 0 EHADRM CCCc1ccc(-c2ccc(NC(=O)[C@@](C)(OC)C(=O)[O-])cc2)cc1 ZINC001589691255 950112111 /nfs/dbraw/zinc/11/21/11/950112111.db2.gz FSSCAAYTNQPBOR-HXUWFJFHSA-N -1 0 341.407 3.734 20 0 EHADRM CCC(CC)[C@@H](NC(=O)N(C)C[C@@H](C)C(=O)[O-])c1cccs1 ZINC000262942284 950196382 /nfs/dbraw/zinc/19/63/82/950196382.db2.gz HMMWOAPFMNYWGQ-BXUZGUMPSA-N -1 0 326.462 3.588 20 0 EHADRM CCN(C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)[C@H](C)C(=O)[O-] ZINC001589698293 950201406 /nfs/dbraw/zinc/20/14/06/950201406.db2.gz ANRHIDWNHXVNOZ-WQAKUFEDSA-N -1 0 349.736 3.694 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)Nc2ncc(C3CCCCC3)s2)C1 ZINC000263069359 950243186 /nfs/dbraw/zinc/24/31/86/950243186.db2.gz PTKOWPHWIOHYGO-GFCCVEGCSA-N -1 0 337.445 3.519 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N3C[C@H](C)C[C@@H](C(=O)[O-])C3)o2)cc1 ZINC000263108070 950271445 /nfs/dbraw/zinc/27/14/45/950271445.db2.gz BMKLYZCEFCDFLH-CZUORRHYSA-N -1 0 341.407 3.692 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000263522417 950501149 /nfs/dbraw/zinc/50/11/49/950501149.db2.gz RRXTUYGVWFZVMY-KOLCDFICSA-N -1 0 335.787 3.720 20 0 EHADRM O=C([O-])CC1(C(=O)Oc2cc(Br)ccc2Cl)CCC1 ZINC001594978382 950955099 /nfs/dbraw/zinc/95/50/99/950955099.db2.gz KWECEJWYCKVCAJ-UHFFFAOYSA-N -1 0 347.592 3.653 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1csc2c1CC[C@H](C)C2)CC(=O)[O-] ZINC000321687608 951019579 /nfs/dbraw/zinc/01/95/79/951019579.db2.gz REGAGDRDIZNOTR-STQMWFEESA-N -1 0 337.485 3.740 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)Nc2cc(C(F)(F)F)ccc2F)CC1 ZINC000324981246 951077142 /nfs/dbraw/zinc/07/71/42/951077142.db2.gz RGJGSZFIJOCYAU-UHFFFAOYSA-N -1 0 348.296 3.563 20 0 EHADRM CCCCc1ccc(CC(=O)N2CCC[C@@](CC)(C(=O)[O-])C2)cc1 ZINC000325037445 951079253 /nfs/dbraw/zinc/07/92/53/951079253.db2.gz OIIQFGSRXDQZHZ-HXUWFJFHSA-N -1 0 331.456 3.675 20 0 EHADRM CCOC(=O)c1ccc(NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC001591176106 951085959 /nfs/dbraw/zinc/08/59/59/951085959.db2.gz FXUFNTDEBDVSPB-UHFFFAOYSA-N -1 0 342.351 3.514 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)Nc2ccc(F)cc2Cl)Cc2ccccc21 ZINC000325806185 951092296 /nfs/dbraw/zinc/09/22/96/951092296.db2.gz YFQMJCDWYFYAIY-CYBMUJFWSA-N -1 0 348.761 3.695 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccc(N3CCCCCC3)cc2)C1 ZINC000325986875 951095937 /nfs/dbraw/zinc/09/59/37/951095937.db2.gz JPWOQDNMKWBZDI-LSDHHAIUSA-N -1 0 330.428 3.506 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cc3ccccc3c(Cl)n2)C1 ZINC000326456798 951099998 /nfs/dbraw/zinc/09/99/98/951099998.db2.gz PROZJAZMTUGMEE-LBPRGKRZSA-N -1 0 346.814 3.605 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)c1cc(Cl)c(N)c(Cl)c1)C(=O)[O-] ZINC001602860492 971716177 /nfs/dbraw/zinc/71/61/77/971716177.db2.gz CONPUZFZVXKHDI-NSHDSACASA-N -1 0 347.242 3.585 20 0 EHADRM C[C@@H](CC(=O)N1CCC(C)(C(=O)[O-])CC1)Cc1ccc(Cl)cc1 ZINC000365365412 951142625 /nfs/dbraw/zinc/14/26/25/951142625.db2.gz CBDNQOAFIPJGPG-CYBMUJFWSA-N -1 0 337.847 3.622 20 0 EHADRM CN(CCC(=O)[O-])C(=O)[C@@H]1CCCC[C@H]1c1nc2ccccc2s1 ZINC000378166767 951153152 /nfs/dbraw/zinc/15/31/52/951153152.db2.gz CSJXUAYVEMUYOJ-CHWSQXEVSA-N -1 0 346.452 3.503 20 0 EHADRM CC(C)C[C@H](CNC(=O)N[C@@H](C)[C@H]1CC2CCC1CC2)CC(=O)[O-] ZINC000381487373 951209682 /nfs/dbraw/zinc/20/96/82/951209682.db2.gz GPPMTGISRYKGNA-NSPSMMDPSA-N -1 0 338.492 3.637 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001595011922 951249957 /nfs/dbraw/zinc/24/99/57/951249957.db2.gz AGHZBCAFCRNJMA-OWCLPIDISA-N -1 0 335.831 3.689 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)Nc2nc(C3CCC3)cs2)C1 ZINC001595015343 951280531 /nfs/dbraw/zinc/28/05/31/951280531.db2.gz UNCNTOJIEBRQSH-LLVKDONJSA-N -1 0 337.445 3.519 20 0 EHADRM CCOc1ccc(C[C@@H](C)C(=O)NC2(C(=O)[O-])CCCCCC2)cc1 ZINC001592447675 951336547 /nfs/dbraw/zinc/33/65/47/951336547.db2.gz NQPLTABAZGYWKL-OAHLLOKOSA-N -1 0 347.455 3.558 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1ccccc1NC(=O)C[C@H]1C=CCC1 ZINC001595035035 951397814 /nfs/dbraw/zinc/39/78/14/951397814.db2.gz RJHRHXCCMXUEBJ-AWEZNQCLSA-N -1 0 344.411 3.565 20 0 EHADRM Cc1ccc(NC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1C(F)(F)F ZINC000392284609 951416927 /nfs/dbraw/zinc/41/69/27/951416927.db2.gz WYOVXQXSJZPNLU-JQWIXIFHSA-N -1 0 344.333 3.588 20 0 EHADRM O=C([O-])CCCNC(=O)c1c(F)cccc1Sc1ccccc1 ZINC001595049892 951465058 /nfs/dbraw/zinc/46/50/58/951465058.db2.gz IDKVMUTYERUSEK-UHFFFAOYSA-N -1 0 333.384 3.572 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000397086692 951519546 /nfs/dbraw/zinc/51/95/46/951519546.db2.gz SSMRRMLMCHIYOA-IUCAKERBSA-N -1 0 331.199 3.710 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)N2CC[C@@H]2Cc2ccccc2)c1 ZINC001595065125 951539271 /nfs/dbraw/zinc/53/92/71/951539271.db2.gz CQDAOLQGHQFKSH-GOSISDBHSA-N -1 0 338.407 3.553 20 0 EHADRM Cc1sc(NC(=O)[C@@H](C)OCc2ccccc2)c(C(=O)[O-])c1C ZINC000381843838 971782712 /nfs/dbraw/zinc/78/27/12/971782712.db2.gz RBFOUWIWVDOHQW-LLVKDONJSA-N -1 0 333.409 3.607 20 0 EHADRM O=C([O-])COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC001595119258 951964237 /nfs/dbraw/zinc/96/42/37/951964237.db2.gz OUAIXEDTLGGEMU-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Cc2nc(C3CCCC3)cs2)c1 ZINC001595130182 952029518 /nfs/dbraw/zinc/02/95/18/952029518.db2.gz PZULAYYNFQUDHJ-UHFFFAOYSA-N -1 0 344.436 3.609 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N1CCc2cc(Cl)ccc2C1 ZINC001595136419 952055586 /nfs/dbraw/zinc/05/55/86/952055586.db2.gz QFLGGYJBXSZRPK-UHFFFAOYSA-N -1 0 344.798 3.557 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)Nc2cccc(SC(F)(F)F)c2)C1 ZINC001595164589 952202656 /nfs/dbraw/zinc/20/26/56/952202656.db2.gz GITAHSPYRNJYFF-SECBINFHSA-N -1 0 348.346 3.627 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N(Cc1cc(F)ccc1F)c1ccccc1 ZINC001595172290 952226480 /nfs/dbraw/zinc/22/64/80/952226480.db2.gz XBRNGKQEHHKYGE-JKSUJKDBSA-N -1 0 345.345 3.609 20 0 EHADRM C[C@H]1CCC[C@H](C(=O)Nc2cc(Br)ccc2C(=O)[O-])C1 ZINC000383106062 971848308 /nfs/dbraw/zinc/84/83/08/971848308.db2.gz GRPSPAPPTGCDDF-UWVGGRQHSA-N -1 0 340.217 3.912 20 0 EHADRM C[C@@H]1CCC[C@@H](C(=O)Nc2cc(Br)ccc2C(=O)[O-])C1 ZINC000383106061 971848216 /nfs/dbraw/zinc/84/82/16/971848216.db2.gz GRPSPAPPTGCDDF-NXEZZACHSA-N -1 0 340.217 3.912 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2F)CCc2ccccc21 ZINC000404779130 953382646 /nfs/dbraw/zinc/38/26/46/953382646.db2.gz MQRQJSPXBCJHJY-GFCCVEGCSA-N -1 0 342.370 3.718 20 0 EHADRM CCSCC[C@@H](C)N(C)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001593599017 953397483 /nfs/dbraw/zinc/39/74/83/953397483.db2.gz IJOQLGLWVXEKOX-CYBMUJFWSA-N -1 0 338.473 3.699 20 0 EHADRM Cc1csc(-c2ccc(NC(=O)NCCC(C)(C)C(=O)[O-])cc2)n1 ZINC000424379271 953451721 /nfs/dbraw/zinc/45/17/21/953451721.db2.gz IBPPCBSXEYOAPC-UHFFFAOYSA-N -1 0 347.440 3.741 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000424421011 953479793 /nfs/dbraw/zinc/47/97/93/953479793.db2.gz LEVCJCBIZCWQLU-SJORKVTESA-N -1 0 332.444 3.588 20 0 EHADRM CC[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2)c1)C(=O)[O-] ZINC000431655771 953503643 /nfs/dbraw/zinc/50/36/43/953503643.db2.gz PQVMZNWEGOKABH-HNNXBMFYSA-N -1 0 333.771 3.725 20 0 EHADRM CC[C@H](NC(=O)Nc1cccc(COc2ccccc2)c1C)C(=O)[O-] ZINC001593619050 953517428 /nfs/dbraw/zinc/51/74/28/953517428.db2.gz BXAWCRZIWHXEFA-INIZCTEOSA-N -1 0 342.395 3.559 20 0 EHADRM CC[C@H](NC(=O)Nc1cccc(C)c1OCc1ccccc1)C(=O)[O-] ZINC001593619129 953518970 /nfs/dbraw/zinc/51/89/70/953518970.db2.gz HXEKAMPHPIDAMZ-HNNXBMFYSA-N -1 0 342.395 3.559 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)N1CCC[C@@H](CC(=O)[O-])C1)C(C)C ZINC000519529228 953550067 /nfs/dbraw/zinc/55/00/67/953550067.db2.gz RATAIZXWTBYNPV-MAUKXSAKSA-N -1 0 332.444 3.588 20 0 EHADRM O=C([O-])C1(CNC(=O)CC2CCC(c3ccccc3)CC2)CCC1 ZINC000532008163 953561605 /nfs/dbraw/zinc/56/16/05/953561605.db2.gz YNRHMNUPVGDWMY-UHFFFAOYSA-N -1 0 329.440 3.722 20 0 EHADRM CCc1ccc([C@H]2CCN(C(=O)C3(C(=O)[O-])C(C)(C)C3(C)C)C2)cc1 ZINC001593636634 953612825 /nfs/dbraw/zinc/61/28/25/953612825.db2.gz GVTFUWUOHKZWLM-INIZCTEOSA-N -1 0 343.467 3.702 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N[C@H](C(=O)[O-])c2cccc(C)c2)cc1 ZINC001593637236 953615364 /nfs/dbraw/zinc/61/53/64/953615364.db2.gz OOOWAYHQAIWHQU-KSSFIOAISA-N -1 0 325.408 3.603 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1ccc2c(c1)CCCC2 ZINC000568367115 953644679 /nfs/dbraw/zinc/64/46/79/953644679.db2.gz MARBRSQTTJTDPW-CABCVRRESA-N -1 0 344.455 3.523 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000570632549 953658473 /nfs/dbraw/zinc/65/84/73/953658473.db2.gz RPNKPLQJRMGBEU-MOPGFXCFSA-N -1 0 337.419 3.518 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCC(c3cccc(F)c3F)CC2)c1 ZINC000571565539 953663857 /nfs/dbraw/zinc/66/38/57/953663857.db2.gz KSEKBIKODSRXFJ-UHFFFAOYSA-N -1 0 345.345 3.683 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)N3CCC[C@@H]3C(=O)[O-])cc2s1 ZINC000573163140 953673203 /nfs/dbraw/zinc/67/32/03/953673203.db2.gz UEBHFWIPRLPOBS-GFCCVEGCSA-N -1 0 333.413 3.501 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC001589303570 953714846 /nfs/dbraw/zinc/71/48/46/953714846.db2.gz UXLWZGBTNSDRLS-OCCSQVGLSA-N -1 0 336.391 3.646 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)c2scnc2Cl)c1Cl ZINC001594803719 953761770 /nfs/dbraw/zinc/76/17/70/953761770.db2.gz FILLSJHOBJBTEO-UHFFFAOYSA-N -1 0 335.143 3.540 20 0 EHADRM O=C(Nc1ccc(OCC2CCCCC2)cc1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594806679 953785779 /nfs/dbraw/zinc/78/57/79/953785779.db2.gz KYPYXHVFJSFGHH-KOMQPUFPSA-N -1 0 346.427 3.630 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N[C@@H]2CCCOc3ccc(F)cc32)c1 ZINC001594809093 953798590 /nfs/dbraw/zinc/79/85/90/953798590.db2.gz MBWXHLMDYPSYRH-OAHLLOKOSA-N -1 0 344.342 3.559 20 0 EHADRM CCC[C@H](CCc1ccccc1)NC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000626753973 953808418 /nfs/dbraw/zinc/80/84/18/953808418.db2.gz CEUJMAPSQWIIBI-KBAYOESNSA-N -1 0 346.471 3.540 20 0 EHADRM CCC[C@H](CCc1ccccc1)NC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000626753971 953809209 /nfs/dbraw/zinc/80/92/09/953809209.db2.gz CEUJMAPSQWIIBI-JQHSSLGASA-N -1 0 346.471 3.540 20 0 EHADRM CCC(C)(C)c1ccc(CNC(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000626758012 953812118 /nfs/dbraw/zinc/81/21/18/953812118.db2.gz KHIXOUUGORPNIV-RHSMWYFYSA-N -1 0 346.471 3.626 20 0 EHADRM C[C@@H]1CCCC[C@]1(C)NC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001589318874 953841634 /nfs/dbraw/zinc/84/16/34/953841634.db2.gz BOVYIVZBPXDAGM-GABDYKALSA-N -1 0 330.428 3.568 20 0 EHADRM CC(C)(CCNC(=O)c1cc(OCc2ccccc2)cs1)C(=O)[O-] ZINC000630185714 953846439 /nfs/dbraw/zinc/84/64/39/953846439.db2.gz SGQYUARGVJQWQX-UHFFFAOYSA-N -1 0 347.436 3.558 20 0 EHADRM Cc1c(NC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cccc1C(F)(F)F ZINC000630563428 953861241 /nfs/dbraw/zinc/86/12/41/953861241.db2.gz KHVKXFUMBCBGRZ-GXSJLCMTSA-N -1 0 344.333 3.588 20 0 EHADRM CN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001593682959 953973423 /nfs/dbraw/zinc/97/34/23/953973423.db2.gz PUWSZQFVYISCLG-MLHJIOFPSA-N -1 0 329.440 3.672 20 0 EHADRM O=C([O-])[C@H](C(=O)NC1CCC(c2ccccc2)CC1)C1CCCC1 ZINC001594832025 953978913 /nfs/dbraw/zinc/97/89/13/953978913.db2.gz BROXIZCTXPEOMG-VJFUWPCTSA-N -1 0 329.440 3.720 20 0 EHADRM C[C@@H]1CCN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)[C@H]1c1ccccc1 ZINC001589338495 954017665 /nfs/dbraw/zinc/01/76/65/954017665.db2.gz ZOXDNPIPSXPPSG-NBVACRFTSA-N -1 0 325.364 3.601 20 0 EHADRM CC(C)C[C@H](CNC(=O)CCc1cc(Cl)cs1)CC(=O)[O-] ZINC000652087326 954044548 /nfs/dbraw/zinc/04/45/48/954044548.db2.gz BOLKGNGVCMDICK-NSHDSACASA-N -1 0 331.865 3.587 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1cccc(Oc2ccccc2F)c1)C1CC1 ZINC001594838061 954045056 /nfs/dbraw/zinc/04/50/56/954045056.db2.gz TYIQTIWJEQIMCY-INIZCTEOSA-N -1 0 329.327 3.667 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)s1 ZINC000652087773 954045046 /nfs/dbraw/zinc/04/50/46/954045046.db2.gz UIONVWZXQQDYIF-JTQLQIEISA-N -1 0 349.399 3.525 20 0 EHADRM C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@H](C(C)(C)C)CC2)C[C@H]1C(=O)[O-] ZINC001589345206 954053412 /nfs/dbraw/zinc/05/34/12/954053412.db2.gz PMQJHCNIDUATBS-QKPAOTATSA-N -1 0 338.492 3.734 20 0 EHADRM CC(C)c1nc2cc(NC(=O)[C@@]3(C(=O)[O-])CC=CCC3)ccc2o1 ZINC000653295183 954102986 /nfs/dbraw/zinc/10/29/86/954102986.db2.gz HWRHPNMKWLBDCJ-GOSISDBHSA-N -1 0 328.368 3.701 20 0 EHADRM O=C([O-])C1(C(=O)N2CCC(CC(F)(F)F)CC2)CCCCCC1 ZINC001594845255 954136986 /nfs/dbraw/zinc/13/69/86/954136986.db2.gz MQILCKLGCIOOAW-UHFFFAOYSA-N -1 0 335.366 3.603 20 0 EHADRM Cc1nc(-c2ccc(C(=O)N3CCCC[C@H]3CC(=O)[O-])cc2)cs1 ZINC000653319265 954143171 /nfs/dbraw/zinc/14/31/71/954143171.db2.gz KNDNCNGVYXELJK-HNNXBMFYSA-N -1 0 344.436 3.588 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)C[C@@H]2CCc3ccccc3C2)c2ccccc21 ZINC000653330845 954159832 /nfs/dbraw/zinc/15/98/32/954159832.db2.gz KQGWXXNWAWAUDJ-JSNMRZPZSA-N -1 0 349.430 3.611 20 0 EHADRM Cc1ccccc1C(C)(C)C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653335538 954168792 /nfs/dbraw/zinc/16/87/92/954168792.db2.gz RHZADSSOJOPKFC-AEFFLSMTSA-N -1 0 337.419 3.702 20 0 EHADRM CC(C)[C@H](CNC(=O)[C@H](c1cccc(Cl)c1)C(C)C)C(=O)[O-] ZINC000655573478 954211928 /nfs/dbraw/zinc/21/19/28/954211928.db2.gz SVROOCXTEAMRJG-GJZGRUSLSA-N -1 0 325.836 3.553 20 0 EHADRM CC(C)[C@@H](C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655585364 954227459 /nfs/dbraw/zinc/22/74/59/954227459.db2.gz WRINOMJUFCWGBQ-QMCVQRASSA-N -1 0 331.456 3.678 20 0 EHADRM C[C@H]1CN(C(=O)C2=C(c3ccccc3)CCCC2)CC[C@@H]1C(=O)[O-] ZINC001589374706 954240872 /nfs/dbraw/zinc/24/08/72/954240872.db2.gz LNLKWTOBCDQZHD-HOCLYGCPSA-N -1 0 327.424 3.583 20 0 EHADRM O=C([O-])[C@@]1(C(=O)NCC2(c3ccc(F)cc3)CCCC2)CC=CCC1 ZINC001594857052 954247735 /nfs/dbraw/zinc/24/77/35/954247735.db2.gz SNKYCPSRBQFCNV-FQEVSTJZSA-N -1 0 345.414 3.565 20 0 EHADRM C[C@H](c1ccco1)N(C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1CC1 ZINC000655903404 954285150 /nfs/dbraw/zinc/28/51/50/954285150.db2.gz AURRXDWLLHZAKO-MYZSUADSSA-N -1 0 348.443 3.650 20 0 EHADRM O=C([O-])C1(C(=O)NCc2ccc(Cl)cc2Cl)CCCCC1 ZINC001594863236 954295550 /nfs/dbraw/zinc/29/55/50/954295550.db2.gz XZIACCPNDBVPLS-UHFFFAOYSA-N -1 0 330.211 3.645 20 0 EHADRM Cc1cc(C)c(-c2cc(NC(=O)CCCCC(=O)[O-])n[nH]2)cc1C ZINC000656232042 954299738 /nfs/dbraw/zinc/29/97/38/954299738.db2.gz TWPBZOSHGVTTBH-UHFFFAOYSA-N -1 0 329.400 3.585 20 0 EHADRM CC(C)(C)c1cnc(NC(=O)N2CCC(CCC(=O)[O-])CC2)s1 ZINC000656602547 954302950 /nfs/dbraw/zinc/30/29/50/954302950.db2.gz IBSNDWZTCYTPBT-UHFFFAOYSA-N -1 0 339.461 3.549 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)C1CC2(C1)CCCCC2 ZINC000659128351 954309075 /nfs/dbraw/zinc/30/90/75/954309075.db2.gz MHSDOIDUMIXDCN-QGZVFWFLSA-N -1 0 327.424 3.558 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000663085539 954464390 /nfs/dbraw/zinc/46/43/90/954464390.db2.gz HCIJQYLWBXAAGI-LJQANCHMSA-N -1 0 340.379 3.658 20 0 EHADRM O=C([O-])C1(C(=O)N2CCC(c3ccc(O)cc3)CC2)CCCCCC1 ZINC000663089650 954471231 /nfs/dbraw/zinc/47/12/31/954471231.db2.gz RWZOQQNUJHLAFT-UHFFFAOYSA-N -1 0 345.439 3.523 20 0 EHADRM C[C@H]1O[C@@H](C)Cc2c(C(=O)[O-])c(NC(=O)C3(CCF)CC3)sc21 ZINC001589410338 954509549 /nfs/dbraw/zinc/50/95/49/954509549.db2.gz BZJJGZZXLGJNOQ-DTWKUNHWSA-N -1 0 341.404 3.547 20 0 EHADRM C[C@H]1Cc2ccccc2N1Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC001589413061 954534494 /nfs/dbraw/zinc/53/44/94/954534494.db2.gz ORKZHYGMJLSCNS-AWEZNQCLSA-N -1 0 340.423 3.532 20 0 EHADRM Cc1[nH]c2ccccc2c1CC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000669434762 954570087 /nfs/dbraw/zinc/57/00/87/954570087.db2.gz XTOQEQLDNWSWLW-INIZCTEOSA-N -1 0 348.402 3.624 20 0 EHADRM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000679396542 954592974 /nfs/dbraw/zinc/59/29/74/954592974.db2.gz LWXSKFXTWLVUDW-GDBMZVCRSA-N -1 0 347.455 3.607 20 0 EHADRM CCC(C)(C)c1ccc(CNC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1 ZINC001589452571 954812775 /nfs/dbraw/zinc/81/27/75/954812775.db2.gz XCEXYTGFSSSUBE-HOCLYGCPSA-N -1 0 346.471 3.626 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)Nc1cccnc1C(=O)[O-] ZINC001589463505 954873665 /nfs/dbraw/zinc/87/36/65/954873665.db2.gz FBCXMCPSZFTCEQ-OEYXZAGESA-N -1 0 340.379 3.609 20 0 EHADRM CC[C@H](CC(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC001589463538 954874848 /nfs/dbraw/zinc/87/48/48/954874848.db2.gz BAZHWQSANQHKGF-ACJLOTCBSA-N -1 0 329.371 3.652 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Oc1ccc(C(=O)c2ccccc2)cc1 ZINC001589482639 954986330 /nfs/dbraw/zinc/98/63/30/954986330.db2.gz CJGOLBDINKVXPO-UHFFFAOYSA-N -1 0 340.375 3.714 20 0 EHADRM CCC(CC)(CNC(=O)N(C)[C@H]1CCC[C@H]1C(C)(C)C)C(=O)[O-] ZINC001589489129 955004847 /nfs/dbraw/zinc/00/48/47/955004847.db2.gz CFMTXGZEJGTNRD-KGLIPLIRSA-N -1 0 326.481 3.734 20 0 EHADRM CCC(CC)(CNC(=O)N[C@@H]1CCc2c1cccc2Cl)C(=O)[O-] ZINC001589494136 955016659 /nfs/dbraw/zinc/01/66/59/955016659.db2.gz ZCQGLAOPWYSNMX-CQSZACIVSA-N -1 0 338.835 3.518 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)N[C@@H](CC2CC2)c2ccccc2)co1 ZINC001594964898 955040775 /nfs/dbraw/zinc/04/07/75/955040775.db2.gz BLFOATKASLXNBQ-JJEJIETFSA-N -1 0 325.364 3.649 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)N(CC(F)(F)F)c2ccccc2)co1 ZINC001594965502 955047752 /nfs/dbraw/zinc/04/77/52/955047752.db2.gz UUSAPQNHQIGMJD-SREVYHEPSA-N -1 0 339.269 3.587 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)co1 ZINC001594967229 955070814 /nfs/dbraw/zinc/07/08/14/955070814.db2.gz ZYKYPHIIVKRYSX-NBUZRDOWSA-N -1 0 347.317 3.633 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)Nc2cc(-n3cccc3)ccc2F)co1 ZINC001594968026 955077023 /nfs/dbraw/zinc/07/70/23/955077023.db2.gz IPMOUHOHQPPMQX-GQCTYLIASA-N -1 0 340.310 3.560 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)O[C@@H](c2ccccc2)c2ccccn2)co1 ZINC001594969912 955099511 /nfs/dbraw/zinc/09/95/11/955099511.db2.gz AAJKKAGVTGFUAN-YXBWYFRISA-N -1 0 349.342 3.719 20 0 EHADRM CC[C@H](CNC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC001589524814 955101262 /nfs/dbraw/zinc/10/12/62/955101262.db2.gz VHONURQGUUNRAR-BSPAPZMXSA-N -1 0 349.736 3.599 20 0 EHADRM CC(C)CC[C@@H](NC(=O)NCCC(=O)[O-])c1ccc(Cl)cc1 ZINC001603018089 972074681 /nfs/dbraw/zinc/07/46/81/972074681.db2.gz IBLSHXRFLHDDEO-CQSZACIVSA-N -1 0 326.824 3.591 20 0 EHADRM CC[C@H](CNC(=O)Nc1ccc(-c2ccccc2)cc1F)C(=O)[O-] ZINC001589538338 955179476 /nfs/dbraw/zinc/17/94/76/955179476.db2.gz SBTOCXXENPRPHQ-GFCCVEGCSA-N -1 0 330.359 3.725 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)Nc2cc(F)ccc2Oc2ccccc2)C1 ZINC000739592857 955254411 /nfs/dbraw/zinc/25/44/11/955254411.db2.gz FBMGEKFIXOZBER-LBPRGKRZSA-N -1 0 344.342 3.556 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)c1csc(-c2cccc3ccccc32)n1 ZINC001589001774 955334418 /nfs/dbraw/zinc/33/44/18/955334418.db2.gz HIOAGLVPEURIHA-NSHDSACASA-N -1 0 340.404 3.556 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001589007273 955371073 /nfs/dbraw/zinc/37/10/73/955371073.db2.gz MEHOWHICUBBMPA-ZDUSSCGKSA-N -1 0 341.411 3.658 20 0 EHADRM Cc1sc(NC(=O)N(C)C[C@@H](C)C(=O)[O-])nc1C1CCCCC1 ZINC001594512508 955400175 /nfs/dbraw/zinc/40/01/75/955400175.db2.gz VEKCHUIPIDMTMD-SNVBAGLBSA-N -1 0 339.461 3.684 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(N(C)Cc2ccccc2)cc1 ZINC000844250902 955667323 /nfs/dbraw/zinc/66/73/23/955667323.db2.gz QNRLRSNTYKNRLO-GOSISDBHSA-N -1 0 340.423 3.618 20 0 EHADRM COC(=O)c1cc(NCc2ccc(C(=O)[O-])cc2)ccc1SC ZINC001593882767 955723209 /nfs/dbraw/zinc/72/32/09/955723209.db2.gz WLLOQFUSWTUSOY-UHFFFAOYSA-N -1 0 331.393 3.505 20 0 EHADRM O=C([O-])C1(C(=O)NCCC[C@@H]2CC2(Cl)Cl)CCCCCC1 ZINC000852953297 955879063 /nfs/dbraw/zinc/87/90/63/955879063.db2.gz KBRMBWTUZQJZGW-LLVKDONJSA-N -1 0 336.259 3.502 20 0 EHADRM CC(C)Oc1cccc([C@H](C)NC(=O)/C=C\c2ccc(C(=O)[O-])o2)c1 ZINC000864104062 955934383 /nfs/dbraw/zinc/93/43/83/955934383.db2.gz XCEHGKRHTYIOIS-KJJQSCHISA-N -1 0 343.379 3.656 20 0 EHADRM O=C([O-])c1ccc2c(c1)N(C(=O)/C=C\c1ccc(Cl)s1)CC2 ZINC000387840328 972143524 /nfs/dbraw/zinc/14/35/24/972143524.db2.gz DDEFGEHDAVEXNG-XQRVVYSFSA-N -1 0 333.796 3.702 20 0 EHADRM Cc1oc(-c2ccccc2)cc1C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000864130582 955954938 /nfs/dbraw/zinc/95/49/38/955954938.db2.gz KMXOHNOKSPGDLZ-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM CC1(c2ccccc2)CCN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)CC1 ZINC000864134306 955958009 /nfs/dbraw/zinc/95/80/09/955958009.db2.gz UKQKSUZLNPMFFM-NTMALXAHSA-N -1 0 339.391 3.571 20 0 EHADRM CC1(C)[C@H](c2cccc(C(F)(F)F)c2)CCN1C(=O)CCC(=O)[O-] ZINC000864217697 955978666 /nfs/dbraw/zinc/97/86/66/955978666.db2.gz OZMFLHYENUAHFF-ZDUSSCGKSA-N -1 0 343.345 3.665 20 0 EHADRM CO[C@H](C(=O)[O-])C(=O)N[C@H](c1ccc(C2CCCCC2)cc1)C(C)C ZINC001593916494 956025696 /nfs/dbraw/zinc/02/56/96/956025696.db2.gz HFRZTSYRXDMIRD-ROUUACIJSA-N -1 0 347.455 3.647 20 0 EHADRM C[C@@](NC(=O)[C@H]1CC[C@H](C2CCC2)CC1)(C(=O)[O-])c1ccccc1 ZINC001589114540 956083786 /nfs/dbraw/zinc/08/37/86/956083786.db2.gz SBQOEUCPQWMRQC-FTRWYGJKSA-N -1 0 329.440 3.709 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccc(F)c2ccccc21 ZINC001589117523 956104734 /nfs/dbraw/zinc/10/47/34/956104734.db2.gz JXTYKPDSKFBZGR-LLVKDONJSA-N -1 0 338.338 3.563 20 0 EHADRM CC(C)Oc1cccc([C@@H](C)NC(=O)C2(C(=O)[O-])CCCCC2)c1 ZINC001603081632 972156132 /nfs/dbraw/zinc/15/61/32/972156132.db2.gz ASRXKOMWSWSMJO-CQSZACIVSA-N -1 0 333.428 3.686 20 0 EHADRM C[C@@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@@H](C(=O)[O-])C1 ZINC000388310531 972164767 /nfs/dbraw/zinc/16/47/67/972164767.db2.gz DURGRMBHIZJIPA-MWLCHTKSSA-N -1 0 337.828 3.880 20 0 EHADRM CC(C)[C@H](NC(=O)Nc1cccc(SC(F)(F)F)c1)C(=O)[O-] ZINC001603095024 972168349 /nfs/dbraw/zinc/16/83/49/972168349.db2.gz MGZJGDZUMZWCLI-JTQLQIEISA-N -1 0 336.335 3.529 20 0 EHADRM C[C@@H](CC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1)C(F)(F)F ZINC000901552486 956337732 /nfs/dbraw/zinc/33/77/32/956337732.db2.gz SKGUDVDUWVTVIS-NSHDSACASA-N -1 0 343.345 3.679 20 0 EHADRM C[C@@H](OC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c1ccc(OC(F)F)cc1 ZINC001589154384 956363014 /nfs/dbraw/zinc/36/30/14/956363014.db2.gz SVDCFRIULWYCFQ-BXKDBHETSA-N -1 0 330.327 3.639 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)C1(C(=O)[O-])CCSCC1)CC2 ZINC000901629593 956393741 /nfs/dbraw/zinc/39/37/41/956393741.db2.gz MCBUXACACOMOJD-INIZCTEOSA-N -1 0 347.480 3.512 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000901660702 956409647 /nfs/dbraw/zinc/40/96/47/956409647.db2.gz JIWNFCQZIHBTLB-RKDXNWHRSA-N -1 0 349.736 3.542 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN1C(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC001589185100 956557274 /nfs/dbraw/zinc/55/72/74/956557274.db2.gz RXYLHEGXIBLRPH-LJQANCHMSA-N -1 0 341.432 3.593 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N[C@@H](CC2CC2)c2ccccc2)o1 ZINC001594670004 956611026 /nfs/dbraw/zinc/61/10/26/956611026.db2.gz KPJVKRKVQAOQSS-SLWQEBJJSA-N -1 0 325.364 3.649 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)c2csc(C3CCCCC3)n2)CC1 ZINC001589196542 956614391 /nfs/dbraw/zinc/61/43/91/956614391.db2.gz UOUBGXDDUSGKFG-UHFFFAOYSA-N -1 0 336.457 3.518 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CCC(c2ccc(F)cc2)CC1 ZINC001589201676 956638809 /nfs/dbraw/zinc/63/88/09/956638809.db2.gz YKPWQNSXEGCLEK-UHFFFAOYSA-N -1 0 347.430 3.669 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)Nc1ccc(OCC2CC2)cc1 ZINC001589206352 956668101 /nfs/dbraw/zinc/66/81/01/956668101.db2.gz BPTINVYDJNKDMZ-UHFFFAOYSA-N -1 0 331.412 3.551 20 0 EHADRM CC1(C)C=Cc2cccc(NC(=O)NC3CCC(C(=O)[O-])CC3)c2O1 ZINC001589209658 956676505 /nfs/dbraw/zinc/67/65/05/956676505.db2.gz AVURSDNGMWZJMQ-UHFFFAOYSA-N -1 0 344.411 3.636 20 0 EHADRM CC1(C)C[C@@H](NC(=O)C2(C(=O)[O-])CCCCC2)c2cc(F)ccc2O1 ZINC001589210971 956686914 /nfs/dbraw/zinc/68/69/14/956686914.db2.gz BCDRBUBFDSBPGD-CQSZACIVSA-N -1 0 349.402 3.579 20 0 EHADRM CC(C)(C)SCC(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21 ZINC000902827391 956818247 /nfs/dbraw/zinc/81/82/47/956818247.db2.gz KTEMUIMVQARZOJ-CYBMUJFWSA-N -1 0 335.469 3.588 20 0 EHADRM O=C([O-])c1cccnc1NC(=O)CSc1ccc2ccccc2c1 ZINC001594703017 956824771 /nfs/dbraw/zinc/82/47/71/956824771.db2.gz YAWPCRKAKCMNBD-UHFFFAOYSA-N -1 0 338.388 3.664 20 0 EHADRM O=C([O-])C1(NC(=O)Cc2cc(Cl)cc3ccccc32)CCCC1 ZINC001594705344 956836688 /nfs/dbraw/zinc/83/66/88/956836688.db2.gz LJESLCVFYWWPGM-UHFFFAOYSA-N -1 0 331.799 3.549 20 0 EHADRM COCCCCC(=O)Nc1sc2c(c1C(=O)[O-])CCC(C)(C)C2 ZINC001593992818 956853559 /nfs/dbraw/zinc/85/35/59/956853559.db2.gz IFTQCMDDTVVKBC-UHFFFAOYSA-N -1 0 339.457 3.716 20 0 EHADRM C[C@@H]1CN(c2ccccc2NCc2ccc(C(=O)[O-])s2)C[C@H](C)O1 ZINC000903674093 956853787 /nfs/dbraw/zinc/85/37/87/956853787.db2.gz WKWQWORCRHDANR-BETUJISGSA-N -1 0 346.452 3.672 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OCCOc1cc(C)ccc1C ZINC000011956439 956900031 /nfs/dbraw/zinc/90/00/31/956900031.db2.gz BYCUPSZSVUFRBX-CLFYSBASSA-N -1 0 342.391 3.868 20 0 EHADRM COc1ccccc1-c1nnc(S[C@@H](C(=O)[O-])c2ccccc2)o1 ZINC000012177329 956901200 /nfs/dbraw/zinc/90/12/00/956901200.db2.gz UUEFUNXQOKJQRQ-CQSZACIVSA-N -1 0 342.376 3.663 20 0 EHADRM O=C([O-])c1ccc(CSCC(=O)Nc2ccc(F)cc2F)cc1 ZINC000013066188 956922493 /nfs/dbraw/zinc/92/24/93/956922493.db2.gz NXKZYGFZGIAEPD-UHFFFAOYSA-N -1 0 337.347 3.535 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000013092277 956942844 /nfs/dbraw/zinc/94/28/44/956942844.db2.gz OORJUKLKCCDNGY-LLVKDONJSA-N -1 0 349.839 3.835 20 0 EHADRM CCc1ccc(CCC(=O)N[C@H](CC(=O)[O-])c2ccc(C)cc2)cc1 ZINC000013181809 956967321 /nfs/dbraw/zinc/96/73/21/956967321.db2.gz BDKHRFRIKYZJDO-LJQANCHMSA-N -1 0 339.435 3.822 20 0 EHADRM Cc1cc(C)c(OCC(=O)Nc2ccc(Cl)cc2C(=O)[O-])c(C)c1 ZINC000013187515 956971309 /nfs/dbraw/zinc/97/13/09/956971309.db2.gz VOSWDIDGERSFSF-UHFFFAOYSA-N -1 0 347.798 3.981 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CSc1ccc2c(c1)CCC2 ZINC000013258635 956996964 /nfs/dbraw/zinc/99/69/64/956996964.db2.gz QBWAGIFIHMLMJX-UHFFFAOYSA-N -1 0 341.432 3.913 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)c2ccc(-n3cccc3)cc2)c2ccccc21 ZINC001594726221 957005069 /nfs/dbraw/zinc/00/50/69/957005069.db2.gz KIXLJBLTOZBZBZ-MOPGFXCFSA-N -1 0 346.386 3.520 20 0 EHADRM C[C@H](CCC(C)(C)C)NC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001603142634 972235270 /nfs/dbraw/zinc/23/52/70/972235270.db2.gz RRVGEPMBNHMFMC-KUHUBIRLSA-N -1 0 334.460 3.543 20 0 EHADRM Cc1ccc(SCc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc1C ZINC000013318958 957025644 /nfs/dbraw/zinc/02/56/44/957025644.db2.gz HEFKRALLCYEXKY-UHFFFAOYSA-N -1 0 340.404 3.530 20 0 EHADRM CC(C)c1ccccc1OCC(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000013388218 957039907 /nfs/dbraw/zinc/03/99/07/957039907.db2.gz XBVDBSIPDOZLOY-AWEZNQCLSA-N -1 0 347.436 3.583 20 0 EHADRM O=C([O-])c1cccc(OCC(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000013418751 957058166 /nfs/dbraw/zinc/05/81/66/957058166.db2.gz DKMFVSVPFAOJLQ-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)C2(CCc3ccccc3)CC2)Cc2ccccc21 ZINC000923069627 957099559 /nfs/dbraw/zinc/09/95/59/957099559.db2.gz INBONHXVIGPPBB-IBGZPJMESA-N -1 0 349.430 3.610 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc3ccccc3c(Cl)n2)s1 ZINC000389743309 972243232 /nfs/dbraw/zinc/24/32/32/972243232.db2.gz MJGXUSXAFWKQLK-UHFFFAOYSA-N -1 0 332.768 3.900 20 0 EHADRM Cc1oc(COc2ccc(F)cc2Br)cc1C(=O)[O-] ZINC000035205815 957201626 /nfs/dbraw/zinc/20/16/26/957201626.db2.gz LGLSTFPPUIDTMF-UHFFFAOYSA-N -1 0 329.121 3.767 20 0 EHADRM Cc1ccccc1CC(=O)Nc1cc(Br)ccc1C(=O)[O-] ZINC000037742330 957324252 /nfs/dbraw/zinc/32/42/52/957324252.db2.gz GJKBYGXZJUJKSX-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)NC[C@@H]2CCCC2(F)F)c1 ZINC000390041995 972262624 /nfs/dbraw/zinc/26/26/24/972262624.db2.gz CQYKQYTYZMTAHZ-VIFPVBQESA-N -1 0 332.734 3.595 20 0 EHADRM Cc1ccc(NC(=O)Cc2cccc(Br)c2)c(C(=O)[O-])c1 ZINC000050039949 957483720 /nfs/dbraw/zinc/48/37/20/957483720.db2.gz QNNIBSWEKKNJSN-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@@H](C)C2CCC(F)(F)CC2)c1 ZINC001594285858 957778599 /nfs/dbraw/zinc/77/85/99/957778599.db2.gz LLSRBDCEJJIAGK-NSHDSACASA-N -1 0 325.355 3.637 20 0 EHADRM CC(C)c1oc(-c2ccccc2)nc1C(=O)N1CCC[C@]1(C)C(=O)[O-] ZINC001334027001 957792092 /nfs/dbraw/zinc/79/20/92/957792092.db2.gz UVSVPEWFZWPWLN-LJQANCHMSA-N -1 0 342.395 3.544 20 0 EHADRM O=C([O-])CC1(CNC(=O)Cc2c(F)cccc2Cl)CCCCC1 ZINC000390687405 972299044 /nfs/dbraw/zinc/29/90/44/972299044.db2.gz YUXCKGZZGKIJGM-UHFFFAOYSA-N -1 0 341.810 3.563 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc3sccc3nc2Cl)ccc1O ZINC001574790987 957808996 /nfs/dbraw/zinc/80/89/96/957808996.db2.gz AYEIHWLVOVNERS-UHFFFAOYSA-N -1 0 348.767 3.606 20 0 EHADRM Cc1cc(C(F)(F)F)cc(C)c1NC(=O)c1ccc(C(=O)[O-])cn1 ZINC001594290562 957828477 /nfs/dbraw/zinc/82/84/77/957828477.db2.gz XVAORDUPBHIVRK-UHFFFAOYSA-N -1 0 338.285 3.668 20 0 EHADRM O=C([O-])c1ccc(COC(=O)C2(Cc3ccccc3F)CC2)cc1 ZINC001574803224 957845474 /nfs/dbraw/zinc/84/54/74/957845474.db2.gz WWHSXABPUKMMTP-UHFFFAOYSA-N -1 0 328.339 3.590 20 0 EHADRM CSC[C@@H]1CCCN(C(=O)Nc2sc(C)c(C)c2C(=O)[O-])C1 ZINC000390643643 972297328 /nfs/dbraw/zinc/29/73/28/972297328.db2.gz TUWRORKQAFKYDF-LLVKDONJSA-N -1 0 342.486 3.670 20 0 EHADRM COc1c(C)cc(Cl)cc1NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001594047378 957943381 /nfs/dbraw/zinc/94/33/81/957943381.db2.gz WKWSXRLRUWEDOP-ONEGZZNKSA-N -1 0 335.743 3.600 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1cccnc1C(=O)[O-] ZINC001603200152 972308323 /nfs/dbraw/zinc/30/83/23/972308323.db2.gz VYQKJTQPXWNXTB-LLVKDONJSA-N -1 0 347.802 3.528 20 0 EHADRM COc1cc(Cl)c(F)c(C(=O)OCc2ccc(C(=O)[O-])cc2)c1 ZINC001594058645 958067121 /nfs/dbraw/zinc/06/71/21/958067121.db2.gz BCSIUEGRKXPRKB-UHFFFAOYSA-N -1 0 338.718 3.543 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001603207557 972318279 /nfs/dbraw/zinc/31/82/79/972318279.db2.gz XXHFGBMFCWQWHL-ORAYPTAESA-N -1 0 345.826 3.635 20 0 EHADRM COc1cc(NC(=O)C2(C(=O)[O-])CCCCCC2)ccc1Cl ZINC001594062767 958108052 /nfs/dbraw/zinc/10/80/52/958108052.db2.gz COYDMNBKAAGVFN-UHFFFAOYSA-N -1 0 325.792 3.712 20 0 EHADRM Cc1cc(O[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc1C(C)C ZINC001594327408 958186312 /nfs/dbraw/zinc/18/63/12/958186312.db2.gz XHRUMSPTRIIDFB-YOEHRIQHSA-N -1 0 335.444 3.501 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC001594331272 958224429 /nfs/dbraw/zinc/22/44/29/958224429.db2.gz VVAZCIAGBQXTGM-LIRRHRJNSA-N -1 0 331.412 3.529 20 0 EHADRM Cc1ccc(-c2ccc(C)c(NCc3cc(C(=O)[O-])nn3C)c2)o1 ZINC001594334423 958254373 /nfs/dbraw/zinc/25/43/73/958254373.db2.gz VDJXZUCMMIDSIT-UHFFFAOYSA-N -1 0 325.368 3.607 20 0 EHADRM Cc1ccc(-c2nc3ccccc3c(N3CCC[C@H]3C(=O)[O-])n2)s1 ZINC001594335135 958257589 /nfs/dbraw/zinc/25/75/89/958257589.db2.gz BZMRBBGPZWDHIA-AWEZNQCLSA-N -1 0 339.420 3.720 20 0 EHADRM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)NC[C@H](C(=O)[O-])C(C)C)cc1 ZINC001594353800 958391280 /nfs/dbraw/zinc/39/12/80/958391280.db2.gz IXSRJEHAKSIOGZ-OKZBNKHCSA-N -1 0 346.471 3.629 20 0 EHADRM Cc1ccc(CC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1Cl ZINC001594353960 958393461 /nfs/dbraw/zinc/39/34/61/958393461.db2.gz XUTMYWGXCOMVNI-DOTOQJQBSA-N -1 0 343.810 3.620 20 0 EHADRM Cc1cc(C(=O)[O-])c(NC(=O)c2cnc(Cl)c(Cl)c2)s1 ZINC000110775767 958398113 /nfs/dbraw/zinc/39/81/13/958398113.db2.gz HUSPLGOEEPVALF-UHFFFAOYSA-N -1 0 331.180 3.709 20 0 EHADRM Cc1ccc(C[C@@H](C)N(C)C(=O)c2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001594355713 958415835 /nfs/dbraw/zinc/41/58/35/958415835.db2.gz YUQBGLJLPHAECN-OAHLLOKOSA-N -1 0 325.408 3.705 20 0 EHADRM C[C@H](NC(=O)N[C@@H]1CCC[C@H]1C(C)(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603227908 972350860 /nfs/dbraw/zinc/35/08/60/972350860.db2.gz MDFWAXCFOIYONK-XPABHHOTSA-N -1 0 338.492 3.636 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c(F)c1 ZINC001594372773 958551296 /nfs/dbraw/zinc/55/12/96/958551296.db2.gz PRRQBTAYVIMXON-CZUORRHYSA-N -1 0 328.343 3.569 20 0 EHADRM Cc1ccc(NC(=O)c2coc(/C=C\C(=O)[O-])c2)cc1OC(C)C ZINC001594373713 958570971 /nfs/dbraw/zinc/57/09/71/958570971.db2.gz VHYMAWOKHNVTNF-SREVYHEPSA-N -1 0 329.352 3.725 20 0 EHADRM CCC[C@@H]1CCCCN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000391704257 972359069 /nfs/dbraw/zinc/35/90/69/972359069.db2.gz DYBLIYHPFNJOPM-SNVBAGLBSA-N -1 0 326.343 3.850 20 0 EHADRM Cc1ccc(Oc2ccc(C(=O)Nc3ccnc(C(=O)[O-])c3)cc2)nc1 ZINC001594375708 958583617 /nfs/dbraw/zinc/58/36/17/958583617.db2.gz AZTNLGJGKGQDGY-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)NCC1(Cc2ccccc2)CCCC1 ZINC001573389848 958687819 /nfs/dbraw/zinc/68/78/19/958687819.db2.gz FRZGDHVXULKAIV-INIZCTEOSA-N -1 0 331.456 3.653 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)Nc1ccc([C@@H]2CCOC2)cc1)C(=O)[O-] ZINC001573394228 958709284 /nfs/dbraw/zinc/70/92/84/958709284.db2.gz BSQSCRDQTFGCEU-ZBFHGGJFSA-N -1 0 348.443 3.592 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)c1cccs1 ZINC000129657299 958713853 /nfs/dbraw/zinc/71/38/53/958713853.db2.gz OYVAETMYSMHUTL-LLVKDONJSA-N -1 0 330.192 3.611 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1)C(=O)[O-] ZINC001573395407 958715689 /nfs/dbraw/zinc/71/56/89/958715689.db2.gz MVYYFJDZSYVKEZ-PMPSAXMXSA-N -1 0 335.419 3.715 20 0 EHADRM Cc1cccc([C@H](NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)C(=O)[O-])c1 ZINC001594394567 958758224 /nfs/dbraw/zinc/75/82/24/958758224.db2.gz XDWUZTWHUQWSDX-MJBXVCDLSA-N -1 0 343.345 3.606 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2scnc2C2CCCC2)C(=O)[O-])c1 ZINC001594398623 958809595 /nfs/dbraw/zinc/80/95/95/958809595.db2.gz CUTSRTGPIYSHIO-OAHLLOKOSA-N -1 0 344.436 3.665 20 0 EHADRM CC(=O)c1c(C)cc(NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1C ZINC001588527194 958871225 /nfs/dbraw/zinc/87/12/25/958871225.db2.gz SMTMHWKARGHTHV-OAHLLOKOSA-N -1 0 346.427 3.615 20 0 EHADRM CC(=O)c1ccc(C(F)(F)F)nc1NCc1ccccc1C(=O)[O-] ZINC001588530930 958893998 /nfs/dbraw/zinc/89/39/98/958893998.db2.gz JQJXLBOFLWSFPG-UHFFFAOYSA-N -1 0 338.285 3.613 20 0 EHADRM CC(=O)c1ccc(C(F)(F)F)nc1NCc1ccc(C(=O)[O-])cc1 ZINC001588531238 958898053 /nfs/dbraw/zinc/89/80/53/958898053.db2.gz XDOKNPPGRQDWDY-UHFFFAOYSA-N -1 0 338.285 3.613 20 0 EHADRM CC(C)(C)c1csc(C(=O)Nc2cccc(CCC(=O)[O-])c2)n1 ZINC001573463727 958931804 /nfs/dbraw/zinc/93/18/04/958931804.db2.gz MOJXBSJSCIRUDS-UHFFFAOYSA-N -1 0 332.425 3.710 20 0 EHADRM CC(C)(CNC(=O)Nc1cccnc1C(=O)[O-])c1cccc(Cl)c1 ZINC001573474724 958957450 /nfs/dbraw/zinc/95/74/50/958957450.db2.gz JZPYJHLNQHPBKM-UHFFFAOYSA-N -1 0 347.802 3.533 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)c1cc2cccc(F)c2o1)c1ccccc1 ZINC000139446866 958967888 /nfs/dbraw/zinc/96/78/88/958967888.db2.gz WNKICIBRQLADDY-HNNXBMFYSA-N -1 0 341.338 3.908 20 0 EHADRM Cc1nc(-c2ccccc2C)sc1C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC001594413532 958971058 /nfs/dbraw/zinc/97/10/58/958971058.db2.gz GYEXDXJPEZBHSV-AWEZNQCLSA-N -1 0 346.452 3.514 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])C(C)C ZINC001594415063 958986940 /nfs/dbraw/zinc/98/69/40/958986940.db2.gz AYRVZIQHEGJRMR-WBVHZDCISA-N -1 0 334.460 3.738 20 0 EHADRM Cc1nc(NC(=O)c2ccc(Cl)c(Cl)c2)sc1C(=O)[O-] ZINC000146993513 958996180 /nfs/dbraw/zinc/99/61/80/958996180.db2.gz IZAVXJFLKKRQGL-UHFFFAOYSA-N -1 0 331.180 3.709 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001573489485 959000803 /nfs/dbraw/zinc/00/08/03/959000803.db2.gz FQXRHIHBZNYAAM-LJQANCHMSA-N -1 0 326.396 3.623 20 0 EHADRM Cc1cccc(CCC(=O)N(CCC(=O)[O-])c2ccccc2C)c1 ZINC000391966958 972395540 /nfs/dbraw/zinc/39/55/40/972395540.db2.gz CBJDGIOPOAHAPG-UHFFFAOYSA-N -1 0 325.408 3.744 20 0 EHADRM CC(C)[C@H](CNC(=O)C1(C(=O)[O-])CC=CC1)c1ccc(Cl)cc1 ZINC001573490481 959021162 /nfs/dbraw/zinc/02/11/62/959021162.db2.gz VYGIKIJQAWLCMK-HNNXBMFYSA-N -1 0 335.831 3.617 20 0 EHADRM C[S@](=O)Cc1cc(NCc2ccc(C(=O)[O-])cc2)ccc1Cl ZINC001594179511 959073698 /nfs/dbraw/zinc/07/36/98/959073698.db2.gz XHTIPCKWBMJBRF-QFIPXVFZSA-N -1 0 337.828 3.529 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)c2cc3c(cccc3F)s2)c1 ZINC000392030673 972402386 /nfs/dbraw/zinc/40/23/86/972402386.db2.gz KJVGUJPUYBCTKO-UHFFFAOYSA-N -1 0 345.351 3.756 20 0 EHADRM CSC[C@@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001594185397 959119990 /nfs/dbraw/zinc/11/99/90/959119990.db2.gz IDQONMWURKUTGK-RKDXNWHRSA-N -1 0 327.471 3.509 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000392084354 972407734 /nfs/dbraw/zinc/40/77/34/972407734.db2.gz XOCPCPNCXGSNRX-ZXXIGWHRSA-N -1 0 333.472 3.837 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1csc(C2CCCCC2)n1)C(=O)[O-] ZINC001573527483 959150477 /nfs/dbraw/zinc/15/04/77/959150477.db2.gz QXWCWCRKKDBEEC-CYBMUJFWSA-N -1 0 338.473 3.668 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)N([C@H](C)C(=O)[O-])C1CC1 ZINC001594193497 959179092 /nfs/dbraw/zinc/17/90/92/959179092.db2.gz IHKVOPCTBQBXBA-MRVPVSSYSA-N -1 0 328.821 3.531 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)cc1 ZINC001573539470 959185191 /nfs/dbraw/zinc/18/51/91/959185191.db2.gz LTTMWIFFLWASIH-MAUKXSAKSA-N -1 0 331.456 3.529 20 0 EHADRM CSc1ccc(CCC(=O)NC2(CC(=O)[O-])CCCCC2)cc1 ZINC001594194740 959188131 /nfs/dbraw/zinc/18/81/31/959188131.db2.gz JXRDKWWAIAMKEW-UHFFFAOYSA-N -1 0 335.469 3.635 20 0 EHADRM Cc1cnccc1C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001594433472 959198056 /nfs/dbraw/zinc/19/80/56/959198056.db2.gz JMHVARJTCVINHT-VIFPVBQESA-N -1 0 330.409 3.527 20 0 EHADRM Cc1c(C(=O)[O-])cc(CNc2cc(Cl)cc3cccnc32)n1C ZINC000392115701 972410554 /nfs/dbraw/zinc/41/05/54/972410554.db2.gz PSRLBHWRKDQMIP-UHFFFAOYSA-N -1 0 329.787 3.845 20 0 EHADRM Cc1nc(-c2ccc(C(=O)Nc3ncccc3C(=O)[O-])s2)cs1 ZINC001594444175 959315553 /nfs/dbraw/zinc/31/55/53/959315553.db2.gz MOOLNLAAWGLDDQ-UHFFFAOYSA-N -1 0 345.405 3.526 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)c1ccncc1 ZINC001573574896 959319651 /nfs/dbraw/zinc/31/96/51/959319651.db2.gz AHQXJKRXBXGIPB-VIFPVBQESA-N -1 0 336.750 3.705 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000177482775 959422437 /nfs/dbraw/zinc/42/24/37/959422437.db2.gz BQKPAGYGNOOZCG-CYBMUJFWSA-N -1 0 347.823 3.891 20 0 EHADRM O=C([O-])C1(CNC(=O)Cc2ccc3ccccc3c2)CCCCC1 ZINC000179192030 959433383 /nfs/dbraw/zinc/43/33/83/959433383.db2.gz AKTQOOCEYOOMHF-UHFFFAOYSA-N -1 0 325.408 3.534 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)NCc2ccccc2OC2CCCC2)C1 ZINC000179958092 959435114 /nfs/dbraw/zinc/43/51/14/959435114.db2.gz PPHMUKYBYBTCLQ-GJZGRUSLSA-N -1 0 345.439 3.515 20 0 EHADRM C[C@H](NC(=O)c1cc(C(=O)[O-])co1)C(c1ccccc1)c1ccccc1 ZINC000183767036 959445510 /nfs/dbraw/zinc/44/55/10/959445510.db2.gz MPSWACLNIREMGB-AWEZNQCLSA-N -1 0 349.386 3.928 20 0 EHADRM O=C([O-])c1coc(C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1 ZINC000183785744 959448511 /nfs/dbraw/zinc/44/85/11/959448511.db2.gz NYKDRRFDFKYXOC-MRXNPFEDSA-N -1 0 338.363 3.827 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)N[C@@H](C)c1cc(Cl)cc(Cl)c1F ZINC001573611148 959480932 /nfs/dbraw/zinc/48/09/32/959480932.db2.gz PBDICFWOGGZQNH-WRWORJQWSA-N -1 0 336.190 3.667 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc(CCC(=O)[O-])c1)C1CCC(F)CC1 ZINC001573620686 959504895 /nfs/dbraw/zinc/50/48/95/959504895.db2.gz ICDMGQAMFUSVIF-LRVUVFPRSA-N -1 0 336.407 3.742 20 0 EHADRM Cc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2)c1Br ZINC000190598995 959514079 /nfs/dbraw/zinc/51/40/79/959514079.db2.gz LBMAJWSLOZSEED-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM Cc1csc(-c2ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc2)n1 ZINC000190627038 959516744 /nfs/dbraw/zinc/51/67/44/959516744.db2.gz GGOFXATUHOCECR-UHFFFAOYSA-N -1 0 332.425 3.948 20 0 EHADRM CC[C@@H](C)n1ncc(C(=O)Nc2cccc(C(=O)[O-])c2)c1C1CC1 ZINC000190875555 959526072 /nfs/dbraw/zinc/52/60/72/959526072.db2.gz TUFGOWYNEYCVKR-LLVKDONJSA-N -1 0 327.384 3.682 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)nc2ccccc12 ZINC000191019380 959536209 /nfs/dbraw/zinc/53/62/09/959536209.db2.gz DBYJWVUFZYIRCJ-UHFFFAOYSA-N -1 0 334.375 3.813 20 0 EHADRM Cc1ccc(SC2CCCC2)c(C(=O)NCC(C)(C)C(=O)[O-])c1 ZINC000191018245 959536455 /nfs/dbraw/zinc/53/64/55/959536455.db2.gz RIQSOBGSNKTRBF-UHFFFAOYSA-N -1 0 335.469 3.870 20 0 EHADRM C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001594244447 959554723 /nfs/dbraw/zinc/55/47/23/959554723.db2.gz RCYRSNOOWKOMMR-AWEZNQCLSA-N -1 0 349.386 3.622 20 0 EHADRM Cc1sc(-c2ccco2)nc1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000191362279 959554942 /nfs/dbraw/zinc/55/49/42/959554942.db2.gz LOLKTEDPBRJEEL-UHFFFAOYSA-N -1 0 334.378 3.724 20 0 EHADRM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000191399059 959558796 /nfs/dbraw/zinc/55/87/96/959558796.db2.gz YNUJRYXEXDQSDC-CABCVRRESA-N -1 0 341.407 3.664 20 0 EHADRM Cc1[nH]c2ccc(C(=O)N[C@@H](C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)cc2c1C ZINC001594250459 959606823 /nfs/dbraw/zinc/60/68/23/959606823.db2.gz YDYIAGWWPXDONH-VBNZEHGJSA-N -1 0 342.439 3.650 20 0 EHADRM CC(C)[C@H](NC(=O)c1ccc(O[C@H](C)c2ccccc2)cc1)C(=O)[O-] ZINC001573642150 959619241 /nfs/dbraw/zinc/61/92/41/959619241.db2.gz WIEHOUKMJWCKSN-KDOFPFPSSA-N -1 0 341.407 3.666 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)N(C)CCCC(=O)[O-] ZINC001594261906 959699520 /nfs/dbraw/zinc/69/95/20/959699520.db2.gz LFNYYRXBBJDOCU-UHFFFAOYSA-N -1 0 336.432 3.639 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NCCc1cccc(-c2ccccc2)c1 ZINC001573667594 959705219 /nfs/dbraw/zinc/70/52/19/959705219.db2.gz ISWUCXBZCQBWQZ-OAQYLSRUSA-N -1 0 337.419 3.513 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)C12CC(c3ccccc3)(C1)C2)C(=O)[O-] ZINC001588645149 959727468 /nfs/dbraw/zinc/72/74/68/959727468.db2.gz IKZHUMOOAQRYNR-APMMTJHUSA-N -1 0 329.440 3.504 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)c1ccc2ccccc2c1O)C(=O)[O-] ZINC001588649458 959752506 /nfs/dbraw/zinc/75/25/06/959752506.db2.gz UJYDUTRCFCKYAI-HNNXBMFYSA-N -1 0 329.396 3.555 20 0 EHADRM CC1(c2cc(NC(=O)N3CCC[C@H](CCC(=O)[O-])C3)no2)CCCC1 ZINC001573689351 959756765 /nfs/dbraw/zinc/75/67/65/959756765.db2.gz JPPAZUUVJBZLAM-CYBMUJFWSA-N -1 0 349.431 3.615 20 0 EHADRM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001573701627 959836767 /nfs/dbraw/zinc/83/67/67/959836767.db2.gz QDIASJMPRFKYFT-XFWSIPNHSA-N -1 0 340.782 3.591 20 0 EHADRM Cc1ccc2c(CC(=O)NCC3(CC(=O)[O-])CCCCC3)coc2c1 ZINC000392328419 972471960 /nfs/dbraw/zinc/47/19/60/972471960.db2.gz ZVLNFIYWLYQKPV-UHFFFAOYSA-N -1 0 343.423 3.825 20 0 EHADRM O=C([O-])c1ccc(S(=O)(=O)Cc2cccc(Cl)c2Cl)cc1 ZINC000228816128 960043922 /nfs/dbraw/zinc/04/39/22/960043922.db2.gz MWOINAZZPIXPJC-UHFFFAOYSA-N -1 0 345.203 3.666 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2cc(Cl)c(F)c(Cl)c2)CCC1 ZINC000232045348 960240289 /nfs/dbraw/zinc/24/02/89/960240289.db2.gz JIXJJJNAXOWRRN-UHFFFAOYSA-N -1 0 335.162 3.651 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)cc1 ZINC000392523492 972494101 /nfs/dbraw/zinc/49/41/01/972494101.db2.gz JOZDSGGMHQQQNF-SNVBAGLBSA-N -1 0 334.322 3.854 20 0 EHADRM CC(C)(C)CN(Cc1ccccc1)C(=O)C1(C(=O)[O-])CCSCC1 ZINC001588658007 960420408 /nfs/dbraw/zinc/42/04/08/960420408.db2.gz JPVCWFHHJUHAJV-UHFFFAOYSA-N -1 0 349.496 3.659 20 0 EHADRM C[C@@H]1CCCN(C(=O)c2csc(C3CCCCC3)n2)[C@@H]1C(=O)[O-] ZINC001573728860 960425447 /nfs/dbraw/zinc/42/54/47/960425447.db2.gz YVICFLVUCBQQIP-RISCZKNCSA-N -1 0 336.457 3.516 20 0 EHADRM C[C@H]1CCCN(C(=O)c2csc(C3CCCCC3)n2)[C@H]1C(=O)[O-] ZINC001573728864 960425682 /nfs/dbraw/zinc/42/56/82/960425682.db2.gz YVICFLVUCBQQIP-SMDDNHRTSA-N -1 0 336.457 3.516 20 0 EHADRM C[C@@H]1CCc2c(sc(NC(=O)CCc3ccoc3)c2C(=O)[O-])C1 ZINC001573738877 960473886 /nfs/dbraw/zinc/47/38/86/960473886.db2.gz LGTJNKUEODRXRP-SNVBAGLBSA-N -1 0 333.409 3.735 20 0 EHADRM C[C@H]1CN(C(=O)[C@@H](C(=O)[O-])C(C)(C)C)CCc2ccc(Cl)cc21 ZINC001573739132 960476406 /nfs/dbraw/zinc/47/64/06/960476406.db2.gz PENBVEZAROIPPJ-NHYWBVRUSA-N -1 0 337.847 3.575 20 0 EHADRM CCc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C(=O)[O-])c1 ZINC000392660937 972505780 /nfs/dbraw/zinc/50/57/80/972505780.db2.gz DTEBENHBZWPKHS-UHFFFAOYSA-N -1 0 348.742 3.761 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)c1cc(Cl)ncc1Cl ZINC000235834481 960509796 /nfs/dbraw/zinc/50/97/96/960509796.db2.gz XTIPEELKFDBFCT-UHFFFAOYSA-N -1 0 331.180 3.709 20 0 EHADRM CSc1cccc(F)c1C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001574257658 960546961 /nfs/dbraw/zinc/54/69/61/960546961.db2.gz NHXVCFJWSYJFDW-JSGCOSHPSA-N -1 0 345.395 3.591 20 0 EHADRM CSc1ccccc1[C@@H](C)NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001574258156 960554884 /nfs/dbraw/zinc/55/48/84/960554884.db2.gz XEWINHDQBBDFBX-GFCCVEGCSA-N -1 0 344.436 3.667 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)CSCc1ccc(C(C)(C)C)cc1 ZINC001573757410 960567183 /nfs/dbraw/zinc/56/71/83/960567183.db2.gz BMNMBAVGCCXNQG-HNNXBMFYSA-N -1 0 337.485 3.539 20 0 EHADRM CN(Cc1nc2ccccc2s1)Cc1cc(C(=O)[O-])ccc1F ZINC001231456682 960606177 /nfs/dbraw/zinc/60/61/77/960606177.db2.gz DVEALBSNDFDPJK-UHFFFAOYSA-N -1 0 330.384 3.766 20 0 EHADRM CC[C@H](C)CCC(=O)Nc1scc(-c2cnn(C)c2)c1C(=O)[O-] ZINC001573777223 960702749 /nfs/dbraw/zinc/70/27/49/960702749.db2.gz ZRZUSLSONBLFJN-JTQLQIEISA-N -1 0 335.429 3.612 20 0 EHADRM CCCCC[C@H](NC(=O)CCCc1c[nH]c2ccccc12)C(=O)[O-] ZINC000236641652 960721305 /nfs/dbraw/zinc/72/13/05/960721305.db2.gz SEAPGNLGEOKTAT-KRWDZBQOSA-N -1 0 330.428 3.640 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000236826096 960767285 /nfs/dbraw/zinc/76/72/85/960767285.db2.gz AKCKACALRDMMFQ-UHFFFAOYSA-N -1 0 348.830 3.684 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N(Cc2ccccn2)C(C)(C)C)c1 ZINC001574314854 960775263 /nfs/dbraw/zinc/77/52/63/960775263.db2.gz CSSJRDRVLVZWKS-UHFFFAOYSA-N -1 0 326.396 3.529 20 0 EHADRM CCSCc1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000236862587 960779698 /nfs/dbraw/zinc/77/96/98/960779698.db2.gz CVEKVTZCVKJDTO-UHFFFAOYSA-N -1 0 329.421 3.568 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@@H]2C[C@H](OC(C)(C)C)C23CCC3)c1 ZINC001574315304 960779681 /nfs/dbraw/zinc/77/96/81/960779681.db2.gz LDQPDMWIERXRTO-CVEARBPZSA-N -1 0 345.439 3.549 20 0 EHADRM CCC[C@@](C)(NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000236965688 960817337 /nfs/dbraw/zinc/81/73/37/960817337.db2.gz QLBVVLNYRZLTKT-BJOHPYRUSA-N -1 0 348.226 3.520 20 0 EHADRM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2ccnc(C(=O)[O-])c2)o1 ZINC000236984158 960824205 /nfs/dbraw/zinc/82/42/05/960824205.db2.gz HHQCKYOWOHRHDC-MLGOLLRUSA-N -1 0 342.395 3.549 20 0 EHADRM CCC[C@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000236998705 960830756 /nfs/dbraw/zinc/83/07/56/960830756.db2.gz CMSVEJVXLCINLA-GXFFZTMASA-N -1 0 347.333 3.653 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000237028086 960842301 /nfs/dbraw/zinc/84/23/01/960842301.db2.gz ARKJRXOIFRPFNR-HNAYVOBHSA-N -1 0 339.435 3.873 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000237066154 960862998 /nfs/dbraw/zinc/86/29/98/960862998.db2.gz OUJABIPQBOTXHE-UHFFFAOYSA-N -1 0 342.782 3.792 20 0 EHADRM CN(Cc1cccc2ccccc21)C(=O)c1ccc(C(=O)[O-])s1 ZINC000237123763 960875396 /nfs/dbraw/zinc/87/53/96/960875396.db2.gz QSVAFSOFJUQEEI-UHFFFAOYSA-N -1 0 325.389 3.872 20 0 EHADRM CN(Cc1ccccc1C(F)(F)F)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000237149783 960877734 /nfs/dbraw/zinc/87/77/34/960877734.db2.gz XCMBVNWEEIXAEJ-UHFFFAOYSA-N -1 0 337.297 3.676 20 0 EHADRM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC001573812537 960909334 /nfs/dbraw/zinc/90/93/34/960909334.db2.gz GEZDYVMRUNBEKM-CQSZACIVSA-N -1 0 349.770 3.540 20 0 EHADRM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NCCCCCC(=O)[O-] ZINC000237342060 960915189 /nfs/dbraw/zinc/91/51/89/960915189.db2.gz SVMSKVCGIULKCR-LBPRGKRZSA-N -1 0 345.361 3.645 20 0 EHADRM COc1cccc(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)c1 ZINC000237340382 960915264 /nfs/dbraw/zinc/91/52/64/960915264.db2.gz YWJDSUGKRGUWHD-UHFFFAOYSA-N -1 0 327.361 3.860 20 0 EHADRM Cc1nn(CC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1-c1ccccc1 ZINC001574338058 960917650 /nfs/dbraw/zinc/91/76/50/960917650.db2.gz WXYYUYQRSUURBI-UHFFFAOYSA-N -1 0 349.390 3.504 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)NCCCC1CCCC1)C(=O)[O-] ZINC000237373132 960920602 /nfs/dbraw/zinc/92/06/02/960920602.db2.gz ODXFATWOXPQPPE-CYBMUJFWSA-N -1 0 335.469 3.952 20 0 EHADRM Cc1cc(C(=O)N(C)C[C@H](C)C(=O)[O-])c(C)n1-c1cc(C)cc(C)c1 ZINC000237408854 960930058 /nfs/dbraw/zinc/93/00/58/960930058.db2.gz GUXLBUXBXUJSJM-AWEZNQCLSA-N -1 0 342.439 3.504 20 0 EHADRM Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001319323696 960939451 /nfs/dbraw/zinc/93/94/51/960939451.db2.gz AWDFHUXGGFVNGK-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM COc1ccc(C2(NC(=O)c3ccc(C(=O)[O-])s3)CCCC2)cc1 ZINC000237500625 960948798 /nfs/dbraw/zinc/94/87/98/960948798.db2.gz BSOGZENAKDEMKL-UHFFFAOYSA-N -1 0 345.420 3.654 20 0 EHADRM Cc1cc2c(CC(=O)N3CCC[C@@H](C)[C@@H]3C(=O)[O-])csc2s1 ZINC001574344169 960956635 /nfs/dbraw/zinc/95/66/35/960956635.db2.gz DWABYCSCPWGIQO-YMTOWFKASA-N -1 0 337.466 3.525 20 0 EHADRM Cc1cc2c(CC(=O)N3CCC[C@@H](C)[C@H]3C(=O)[O-])csc2s1 ZINC001574344167 960957137 /nfs/dbraw/zinc/95/71/37/960957137.db2.gz DWABYCSCPWGIQO-OTYXRUKQSA-N -1 0 337.466 3.525 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)Nc3cccc(OCC(=O)[O-])c3)cc2C1 ZINC000237551223 960960049 /nfs/dbraw/zinc/96/00/49/960960049.db2.gz FTCFWDJXZPUNGF-LLVKDONJSA-N -1 0 345.420 3.589 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CC(C1CC1)C1CC1)c1ccc(Cl)cc1 ZINC001319849348 960960305 /nfs/dbraw/zinc/96/03/05/960960305.db2.gz FRZYNOQGBOPIDO-INIZCTEOSA-N -1 0 335.831 3.798 20 0 EHADRM Cc1ccccc1OCCCC(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000237551388 960960849 /nfs/dbraw/zinc/96/08/49/960960849.db2.gz VLPNZCRZLKFHRZ-CQSZACIVSA-N -1 0 347.436 3.548 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])s1)c1cccc(OC(F)F)c1 ZINC000237603281 960972205 /nfs/dbraw/zinc/97/22/05/960972205.db2.gz OITCSVOJHQKPMY-QMMMGPOBSA-N -1 0 341.335 3.539 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)Cc2c(C)cc(C)cc2C)cc1 ZINC001320777789 960988457 /nfs/dbraw/zinc/98/84/57/960988457.db2.gz VCMNSOKHQBGAAQ-IBGZPJMESA-N -1 0 339.435 3.795 20 0 EHADRM Cc1ccc(CCC(=O)N[C@@H](CC(=O)[O-])c2cccs2)c(C)c1 ZINC000237684973 960996038 /nfs/dbraw/zinc/99/60/38/960996038.db2.gz LCVODIKBHLWTNB-HNNXBMFYSA-N -1 0 331.437 3.630 20 0 EHADRM Cc1sc(C(=O)NCC(C)(C)C(=O)[O-])cc1-c1ccc(F)cc1 ZINC000237695598 960999393 /nfs/dbraw/zinc/99/93/93/960999393.db2.gz RCPGOUNNCPQRHR-UHFFFAOYSA-N -1 0 335.400 3.703 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1C(=O)Nc1sc2c(c1C(=O)[O-])COCC2 ZINC001573829580 961000471 /nfs/dbraw/zinc/00/04/71/961000471.db2.gz BOWPIAISOWYUSR-MNOVXSKESA-N -1 0 337.441 3.674 20 0 EHADRM CC[C@@H]1CCCC[C@H]1CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001573829536 961001014 /nfs/dbraw/zinc/00/10/14/961001014.db2.gz ABIHVHKJNGLKIV-XHSDSOJGSA-N -1 0 326.481 3.639 20 0 EHADRM Cc1nn(C)c(Cl)c1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000237733918 961011383 /nfs/dbraw/zinc/01/13/83/961011383.db2.gz CXIDMQWPDWBBKI-UHFFFAOYSA-N -1 0 349.799 3.547 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)C(F)(F)c1ccc(Cl)cc1 ZINC001322715931 961014929 /nfs/dbraw/zinc/01/49/29/961014929.db2.gz XHMHVLURWUYSMI-UHFFFAOYSA-N -1 0 339.725 3.698 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1cc(Cl)ccc1F ZINC000237765251 961018347 /nfs/dbraw/zinc/01/83/47/961018347.db2.gz NRQITBDPXNSAQU-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM Cc1cc(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)ccc1C(=O)[O-] ZINC000237816562 961028976 /nfs/dbraw/zinc/02/89/76/961028976.db2.gz FWTZJVJDUVISFA-WIYYLYMNSA-N -1 0 335.403 3.926 20 0 EHADRM Cc1ccc(CNC(=O)[C@H](C(=O)[O-])C2CC2)c(O[C@H](C)CC(C)C)c1 ZINC001574366454 961038752 /nfs/dbraw/zinc/03/87/52/961038752.db2.gz GOPZVLBGTDBXDP-RDTXWAMCSA-N -1 0 347.455 3.535 20 0 EHADRM CC(C)c1cnc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)s1 ZINC001325666425 961059182 /nfs/dbraw/zinc/05/91/82/961059182.db2.gz MHNHUGKQHKAYAF-UHFFFAOYSA-N -1 0 331.441 3.527 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)c1 ZINC000238033926 961082388 /nfs/dbraw/zinc/08/23/88/961082388.db2.gz XSSASCIBHWPKQE-CVEARBPZSA-N -1 0 345.782 3.546 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccoc1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001588728448 961084019 /nfs/dbraw/zinc/08/40/19/961084019.db2.gz UZTAYPKEIQJFLK-UHFFFAOYSA-N -1 0 346.339 3.577 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2NCC(F)(F)F)cc1 ZINC000238060018 961088934 /nfs/dbraw/zinc/08/89/34/961088934.db2.gz GTCBJEAAVCTDNL-UHFFFAOYSA-N -1 0 338.285 3.611 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2ccc(C(=O)[O-])cn2)c(Cl)c1 ZINC001574378227 961100816 /nfs/dbraw/zinc/10/08/16/961100816.db2.gz LEUYICCKMAFRAZ-UHFFFAOYSA-N -1 0 348.786 3.539 20 0 EHADRM Cc1ccc(SCCNC(=O)C2(C(=O)[O-])CCCCCC2)cc1 ZINC001574382610 961119162 /nfs/dbraw/zinc/11/91/62/961119162.db2.gz SXKRFCFZQISRNA-UHFFFAOYSA-N -1 0 335.469 3.629 20 0 EHADRM CC(C)(C)OCc1ccccc1NC(=O)NC1(CC(=O)[O-])CCC1 ZINC001588734809 961130539 /nfs/dbraw/zinc/13/05/39/961130539.db2.gz MPUUDCUNMYMFMJ-UHFFFAOYSA-N -1 0 334.416 3.521 20 0 EHADRM CC(C)(C)c1cc(C(=O)N2CCC[C@H]2C(=O)[O-])c(O)c(C(C)(C)C)c1 ZINC001588739272 961146034 /nfs/dbraw/zinc/14/60/34/961146034.db2.gz KBTABGSPTJDXBX-HNNXBMFYSA-N -1 0 347.455 3.676 20 0 EHADRM CC(C)(C)c1cc2cccnc2c(NC(=O)[C@H](C(=O)[O-])C2CC2)c1 ZINC001588739235 961146323 /nfs/dbraw/zinc/14/63/23/961146323.db2.gz HKLXLSOBRXRADE-OAHLLOKOSA-N -1 0 326.396 3.582 20 0 EHADRM CCCN(CCC)c1ccc(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC001573855098 961146569 /nfs/dbraw/zinc/14/65/69/961146569.db2.gz WLWLANIBDITTQO-OAHLLOKOSA-N -1 0 347.459 3.642 20 0 EHADRM CCCN(Cc1ccc(F)cc1)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001573856879 961151022 /nfs/dbraw/zinc/15/10/22/961151022.db2.gz GOPSVLBOLZAJIQ-CSKARUKUSA-N -1 0 331.343 3.569 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1 ZINC000238200990 961154454 /nfs/dbraw/zinc/15/44/54/961154454.db2.gz AZUDAUVBQNLPBC-UHFFFAOYSA-N -1 0 347.798 3.765 20 0 EHADRM CC(C)(C)c1ccc([C@H]2CCCN2C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cc1 ZINC001588739747 961158833 /nfs/dbraw/zinc/15/88/33/961158833.db2.gz RHNYJZAIFOZXKM-HYVNUMGLSA-N -1 0 344.455 3.694 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1cc(-c2ccc(F)cc2)on1 ZINC001574389855 961162578 /nfs/dbraw/zinc/16/25/78/961162578.db2.gz TWRZCUOWZKYTRZ-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM CCCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2F)c(OC)c1 ZINC001573860604 961170602 /nfs/dbraw/zinc/17/06/02/961170602.db2.gz WLMFTGAYBNRARD-UHFFFAOYSA-N -1 0 347.342 3.574 20 0 EHADRM Cc1nc(CC2CC2)sc1C(=O)Nc1c(C)cccc1C(=O)[O-] ZINC001574390554 961171982 /nfs/dbraw/zinc/17/19/82/961171982.db2.gz YHVQXKNBXNLZTQ-UHFFFAOYSA-N -1 0 330.409 3.663 20 0 EHADRM CC(C)(C)c1ccc2[nH]c(C(=O)N3CCCC[C@@H]3C(=O)[O-])cc2c1 ZINC001588742028 961176839 /nfs/dbraw/zinc/17/68/39/961176839.db2.gz RPVLHNIPPBPYAW-MRXNPFEDSA-N -1 0 328.412 3.545 20 0 EHADRM CCCOc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001573862425 961178580 /nfs/dbraw/zinc/17/85/80/961178580.db2.gz SDPZLHDYESRVKF-MRXNPFEDSA-N -1 0 346.358 3.562 20 0 EHADRM CCCOc1ccc(NC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)cc1F ZINC001573862582 961179553 /nfs/dbraw/zinc/17/95/53/961179553.db2.gz XOIPIMGKUHSHBW-UHFFFAOYSA-N -1 0 337.391 3.690 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC000245653168 961190802 /nfs/dbraw/zinc/19/08/02/961190802.db2.gz KLIKBBNHXWBDTI-QLFBSQMISA-N -1 0 331.412 3.695 20 0 EHADRM COc1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1C(=O)[O-] ZINC000248848221 961198194 /nfs/dbraw/zinc/19/81/94/961198194.db2.gz BEAKGIYVJVELTC-HRCADAONSA-N -1 0 345.439 3.616 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N3CCCCC[C@H]3C(=O)[O-])c(Cl)c2c1 ZINC001329496304 961274582 /nfs/dbraw/zinc/27/45/82/961274582.db2.gz UBJNEYZAQDLHQN-ZDUSSCGKSA-N -1 0 334.803 3.599 20 0 EHADRM Cc1ccnc(Oc2ccc(C(=O)Nc3cncc(C(=O)[O-])c3)cc2)c1 ZINC001574410930 961281344 /nfs/dbraw/zinc/28/13/44/961281344.db2.gz DNSCXNYNIORMNL-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM CC(C)(C)c1ccc(C2(C(=O)N3CCC(CC(=O)[O-])CC3)CC2)cc1 ZINC001331382195 961374790 /nfs/dbraw/zinc/37/47/90/961374790.db2.gz FLRXFCVUSLIDDA-UHFFFAOYSA-N -1 0 343.467 3.729 20 0 EHADRM CCC(CC)(CNC(=O)C1(c2ccc(OC)cc2)CCCC1)C(=O)[O-] ZINC000262063170 961424284 /nfs/dbraw/zinc/42/42/84/961424284.db2.gz DGLJUPAGTOEIQY-UHFFFAOYSA-N -1 0 347.455 3.514 20 0 EHADRM CC(C)C(=O)c1ccc([C@H](C)c2nc(C3(C(=O)[O-])CCC3)no2)cc1 ZINC001588802011 961428848 /nfs/dbraw/zinc/42/88/48/961428848.db2.gz QLEYJONEDYMUNG-LBPRGKRZSA-N -1 0 342.395 3.566 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)OCc1cccc(Br)c1Cl ZINC001588812515 961528999 /nfs/dbraw/zinc/52/89/99/961528999.db2.gz GBJGHSTWBNUELY-JTQLQIEISA-N -1 0 349.608 3.503 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000262191739 961538243 /nfs/dbraw/zinc/53/82/43/961538243.db2.gz NKYPIESJVUBYDP-KXBFYZLASA-N -1 0 337.419 3.699 20 0 EHADRM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)Cc2ccccc2C(=O)[O-])C1 ZINC000262206128 961552718 /nfs/dbraw/zinc/55/27/18/961552718.db2.gz PDPSPTGVSBGGHH-RDJZCZTQSA-N -1 0 337.419 3.640 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N2CCC[C@@H](c3ccccc3)CC2)c1 ZINC000262207887 961554296 /nfs/dbraw/zinc/55/42/96/961554296.db2.gz TUGPQVNTCQDGIK-GOSISDBHSA-N -1 0 337.419 3.724 20 0 EHADRM CC(C)[C@@H](CCc1ccccc1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001588814949 961558110 /nfs/dbraw/zinc/55/81/10/961558110.db2.gz ANCSHYXPKFBALU-DAWZGUTISA-N -1 0 331.456 3.651 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000262217901 961563363 /nfs/dbraw/zinc/56/33/63/961563363.db2.gz UYSDVRHEOSKLJF-DRPJVOAASA-N -1 0 343.448 3.738 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CC2CC2)C(=O)[O-])c(C)n1C1CCCCC1 ZINC000262235830 961580583 /nfs/dbraw/zinc/58/05/83/961580583.db2.gz PNVOKIIKKNSVDS-KRWDZBQOSA-N -1 0 332.444 3.593 20 0 EHADRM CCSCc1ccnc(NC(=O)C2(C(=O)[O-])CCCCCC2)c1 ZINC001573932635 961589238 /nfs/dbraw/zinc/58/92/38/961589238.db2.gz XBKXZFUWSDBTPM-UHFFFAOYSA-N -1 0 336.457 3.698 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)[C@H]1OCCc2sccc21 ZINC001332613386 961602405 /nfs/dbraw/zinc/60/24/05/961602405.db2.gz HGKBHXMJOFHBAB-MEDUHNTESA-N -1 0 345.420 3.643 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC001333317713 961674547 /nfs/dbraw/zinc/67/45/47/961674547.db2.gz XFMYKPRSRODYFC-AWEZNQCLSA-N -1 0 333.771 3.537 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1ccc(C(=O)[O-])cc1)Cc1ccccc1 ZINC001588829432 961683979 /nfs/dbraw/zinc/68/39/79/961683979.db2.gz BEEUOLPFACVAKN-GOSISDBHSA-N -1 0 325.408 3.630 20 0 EHADRM CCC[C@H](C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1)c1ccccc1 ZINC000262468520 961738861 /nfs/dbraw/zinc/73/88/61/961738861.db2.gz JGBMDARKTIZWEI-INIZCTEOSA-N -1 0 329.396 3.829 20 0 EHADRM Cc1oc(CN(C)C(=O)CCCSC(C)(C)C)cc1C(=O)[O-] ZINC001334182221 961768101 /nfs/dbraw/zinc/76/81/01/961768101.db2.gz MAICIQRWQIZMAV-UHFFFAOYSA-N -1 0 327.446 3.557 20 0 EHADRM C[C@H](CCc1ccco1)NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000262669305 961800793 /nfs/dbraw/zinc/80/07/93/961800793.db2.gz WUBGADMTMNXHBT-OLZOCXBDSA-N -1 0 347.436 3.596 20 0 EHADRM C[C@@H](CC(=O)N(C)C(C)(C)CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC001334657577 961809839 /nfs/dbraw/zinc/80/98/39/961809839.db2.gz ZULCTOILXZFBEI-GFCCVEGCSA-N -1 0 325.836 3.620 20 0 EHADRM CN(Cc1csc2ccccc12)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262693350 961811180 /nfs/dbraw/zinc/81/11/80/961811180.db2.gz FLTOWUWKUMFNRC-JOCQHMNTSA-N -1 0 331.437 3.751 20 0 EHADRM O=C([O-])CCCNC(=O)CSc1cccc2cccc(Cl)c21 ZINC000262746297 961845477 /nfs/dbraw/zinc/84/54/77/961845477.db2.gz KPSQOWCFRAFIRJ-UHFFFAOYSA-N -1 0 337.828 3.566 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)CCCSc2ccc(Cl)cc2)C1 ZINC000262757032 961851029 /nfs/dbraw/zinc/85/10/29/961851029.db2.gz ZBECQAINSNXOBO-YPMHNXCESA-N -1 0 341.860 3.582 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)CCc2c[nH]c3ccccc23)c2ccccc21 ZINC001574521386 961855986 /nfs/dbraw/zinc/85/59/86/961855986.db2.gz JKXRTPFMRRNWCR-IEBWSBKVSA-N -1 0 348.402 3.530 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)CCc1ccc(C)cc1C ZINC000262840922 961907245 /nfs/dbraw/zinc/90/72/45/961907245.db2.gz CFIFVPJSYCPCKV-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1CCC[C@H](F)C1)c1cccc(Cl)c1 ZINC001335376023 961918229 /nfs/dbraw/zinc/91/82/29/961918229.db2.gz SSUYYROUKXKFBR-UBHSHLNASA-N -1 0 327.783 3.500 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1cccc2c1OC(C)(C)C=C2)C(=O)[O-] ZINC001588852671 961946331 /nfs/dbraw/zinc/94/63/31/961946331.db2.gz CXALANKBWQKJBD-CQSZACIVSA-N -1 0 346.427 3.739 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000262877396 961949643 /nfs/dbraw/zinc/94/96/43/961949643.db2.gz VPOVMVDNVMYJBB-MUKKUYKPSA-N -1 0 335.419 3.544 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262893418 961967671 /nfs/dbraw/zinc/96/76/71/961967671.db2.gz HFBOJHGJLLDNPG-HAQNSBGRSA-N -1 0 339.819 3.957 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N[C@@H](CC(F)F)C(=O)[O-])cc1 ZINC000262907989 961986625 /nfs/dbraw/zinc/98/66/25/961986625.db2.gz FEXAWFNOVRLQFM-RISCZKNCSA-N -1 0 327.371 3.528 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C(=O)[O-])cc2C)c1C(C)C ZINC001339079999 961999556 /nfs/dbraw/zinc/99/95/56/961999556.db2.gz VDRNBXSCYNUTLM-UHFFFAOYSA-N -1 0 342.395 3.908 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)c2cccc(-n3cccc3)c2)c2ccccc21 ZINC001574558164 962002314 /nfs/dbraw/zinc/00/23/14/962002314.db2.gz OOUZNGNEAXPVNC-OALUTQOASA-N -1 0 346.386 3.520 20 0 EHADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1occc1CSc1ccccc1 ZINC000262923599 962006201 /nfs/dbraw/zinc/00/62/01/962006201.db2.gz FKXUSRCHTQTNIX-WFASDCNBSA-N -1 0 345.420 3.507 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C1CCSCC1)c1cccc2ccccc21 ZINC000262941380 962025549 /nfs/dbraw/zinc/02/55/49/962025549.db2.gz GSUGTFDMKDMXMV-QGZVFWFLSA-N -1 0 343.448 3.615 20 0 EHADRM CC(C)CCOc1ccccc1NC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC001588867685 962029831 /nfs/dbraw/zinc/02/98/31/962029831.db2.gz CRYUKMATLWTJHD-GJZGRUSLSA-N -1 0 348.443 3.686 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CC(C)(C)c2c1cccc2Cl ZINC000262950666 962036539 /nfs/dbraw/zinc/03/65/39/962036539.db2.gz MUHOTRYOAVKUPI-UHFFFAOYSA-N -1 0 347.798 3.807 20 0 EHADRM CC(C)c1ccc(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1 ZINC000262952411 962037348 /nfs/dbraw/zinc/03/73/48/962037348.db2.gz QTTFNFUGGWKHQE-RTBURBONSA-N -1 0 337.419 3.750 20 0 EHADRM CCCCO[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000262984102 962074983 /nfs/dbraw/zinc/07/49/83/962074983.db2.gz JSJYGOZZLSUMOD-KSSFIOAISA-N -1 0 343.423 3.677 20 0 EHADRM COc1ccc2sc(C(=O)NC3(CC(=O)[O-])CCCC3)c(C)c2c1 ZINC000262988855 962079959 /nfs/dbraw/zinc/07/99/59/962079959.db2.gz VASBXLCCTZOMRW-UHFFFAOYSA-N -1 0 347.436 3.736 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC001340794516 962110941 /nfs/dbraw/zinc/11/09/41/962110941.db2.gz BHIDQIMMJWNNJI-VXGBXAGGSA-N -1 0 331.318 3.714 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1ccc(C(F)F)cc1)c1ccc(F)cc1 ZINC001574599673 962153046 /nfs/dbraw/zinc/15/30/46/962153046.db2.gz HXTWPWDZBDMLEL-CYBMUJFWSA-N -1 0 338.285 3.711 20 0 EHADRM CC(C)C[C@@H](NC(=O)[C@H]1CC[C@H]1c1ccc(Cl)cc1F)C(=O)[O-] ZINC001588881369 962153322 /nfs/dbraw/zinc/15/33/22/962153322.db2.gz KXEWNBAOUAAXDZ-CORIIIEPSA-N -1 0 341.810 3.588 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)c2cccc3c2COCC3)c1Cl ZINC001574600212 962161301 /nfs/dbraw/zinc/16/13/01/962161301.db2.gz VKMDBUVBERIWSV-UHFFFAOYSA-N -1 0 349.745 3.502 20 0 EHADRM CC(C)C[C@H](CNC(=O)C(F)(F)c1cccc(Cl)c1)CC(=O)[O-] ZINC001588887475 962185724 /nfs/dbraw/zinc/18/57/24/962185724.db2.gz JAGLSNBTPLSDRV-NSHDSACASA-N -1 0 347.789 3.685 20 0 EHADRM Cc1ccc(OCC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cc1C ZINC000263053413 962186218 /nfs/dbraw/zinc/18/62/18/962186218.db2.gz FDFZAXDCWOMRBO-AWEZNQCLSA-N -1 0 327.380 3.509 20 0 EHADRM CC[C@@H](CC(=O)Nc1ccc(CC(=O)[O-])c(F)c1)c1ccccc1 ZINC000263056052 962190895 /nfs/dbraw/zinc/19/08/95/962190895.db2.gz AISQEGPVBQCAMI-ZDUSSCGKSA-N -1 0 329.371 3.975 20 0 EHADRM CC(C)(CCNC(=O)c1ccc(-c2ccc(F)cc2)cc1F)C(=O)[O-] ZINC000263055608 962191289 /nfs/dbraw/zinc/19/12/89/962191289.db2.gz QHEKHBSLABAJTO-UHFFFAOYSA-N -1 0 347.361 3.863 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)COc1ccc(C(C)C)cc1 ZINC000263055619 962191309 /nfs/dbraw/zinc/19/13/09/962191309.db2.gz WUVJZAHAVPKEOV-UHFFFAOYSA-N -1 0 343.379 3.534 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCC[C@@H](c2ccccc2)C1)CC(=O)[O-] ZINC001588890587 962201884 /nfs/dbraw/zinc/20/18/84/962201884.db2.gz OPAAAHYOWVAQOS-FUHWJXTLSA-N -1 0 346.471 3.713 20 0 EHADRM COc1cc(NC(=O)[C@H](c2ccccc2)C(C)C)ccc1C(=O)[O-] ZINC000263063589 962203515 /nfs/dbraw/zinc/20/35/15/962203515.db2.gz XMPUEPALJYIXDP-KRWDZBQOSA-N -1 0 327.380 3.772 20 0 EHADRM CC(C)C[C@H](CNC(=O)NC[C@@H]1CCCCC(F)(F)C1)CC(=O)[O-] ZINC001588892374 962206985 /nfs/dbraw/zinc/20/69/85/962206985.db2.gz DSNFUCJHHVPOPQ-KGLIPLIRSA-N -1 0 348.434 3.638 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000263069807 962210417 /nfs/dbraw/zinc/21/04/17/962210417.db2.gz UBZILNNYTAAFBK-PWSUYJOCSA-N -1 0 341.860 3.635 20 0 EHADRM CC(C)C[C@H](CNC(=O)N[C@@H]1CCC(C)(C)C[C@H]1C)CC(=O)[O-] ZINC001588892757 962212210 /nfs/dbraw/zinc/21/22/10/962212210.db2.gz DMPCXZJKOGSYBA-QLFBSQMISA-N -1 0 326.481 3.637 20 0 EHADRM Cc1cccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1C(F)(F)F ZINC001345107463 962228667 /nfs/dbraw/zinc/22/86/67/962228667.db2.gz KERFBPAVOZVRHI-LBPRGKRZSA-N -1 0 343.345 3.731 20 0 EHADRM Cc1cc(CCCC(=O)NCc2ccc(C(=O)[O-])s2)c(C)s1 ZINC000263086023 962232916 /nfs/dbraw/zinc/23/29/16/962232916.db2.gz BSAOWYAWFVDSGV-UHFFFAOYSA-N -1 0 337.466 3.764 20 0 EHADRM CC1(C)C2CCC1(C(=O)N1CCc3c(F)ccc(C(=O)[O-])c3C1)CC2 ZINC001345120487 962234537 /nfs/dbraw/zinc/23/45/37/962234537.db2.gz IAOMDUUVEZTNHR-UHFFFAOYSA-N -1 0 345.414 3.625 20 0 EHADRM O=C([O-])C1(C(=O)N(Cc2ccc(F)cc2)CC2CC2)CCCCC1 ZINC001574620473 962240527 /nfs/dbraw/zinc/24/05/27/962240527.db2.gz AMEPYJYEHKARMB-UHFFFAOYSA-N -1 0 333.403 3.599 20 0 EHADRM COCc1cc(NC(=O)C2(c3cccc(C)c3)CC2)cc(C(=O)[O-])c1 ZINC000263102986 962254662 /nfs/dbraw/zinc/25/46/62/962254662.db2.gz OPCWKHINKWYWEU-UHFFFAOYSA-N -1 0 339.391 3.510 20 0 EHADRM COCc1cc(NC(=O)[C@H]2C[C@@H]2c2sccc2C)cc(C(=O)[O-])c1 ZINC000263129094 962282397 /nfs/dbraw/zinc/28/23/97/962282397.db2.gz SRXVXLKUDFTBTK-GJZGRUSLSA-N -1 0 345.420 3.643 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000263182488 962338037 /nfs/dbraw/zinc/33/80/37/962338037.db2.gz LSIWRLOVTXBBGJ-UONOGXRCSA-N -1 0 333.453 3.680 20 0 EHADRM CCc1c(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)[nH]c(C)c1C(C)=O ZINC000263290747 962430165 /nfs/dbraw/zinc/43/01/65/962430165.db2.gz MBSNPLLNZBEGOV-SNVBAGLBSA-N -1 0 342.395 3.529 20 0 EHADRM O=C([O-])CCCCC(=O)N[C@@H](COc1ccccc1)c1ccccc1 ZINC000263293358 962434986 /nfs/dbraw/zinc/43/49/86/962434986.db2.gz LWYSRASSIJRWOB-SFHVURJKSA-N -1 0 341.407 3.568 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)Cc2coc3ccccc23)c2ccccc21 ZINC001574655755 962455821 /nfs/dbraw/zinc/45/58/21/962455821.db2.gz GMJRWALSCGVCQT-INIZCTEOSA-N -1 0 335.359 3.580 20 0 EHADRM CC(C)O[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC001588929813 962468231 /nfs/dbraw/zinc/46/82/31/962468231.db2.gz YISSCEZUCFVFMY-INIZCTEOSA-N -1 0 331.343 3.629 20 0 EHADRM CC[C@@H](C)Oc1ccc(NC(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000263326124 962470644 /nfs/dbraw/zinc/47/06/44/962470644.db2.gz KLJXIENLMRUIMW-CYBMUJFWSA-N -1 0 327.380 3.743 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001574677982 962564289 /nfs/dbraw/zinc/56/42/89/962564289.db2.gz JREMHEPMALEFHK-AVGNSLFASA-N -1 0 335.366 3.601 20 0 EHADRM CN(C(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1)C(C)(C)CC(=O)[O-] ZINC001350778790 962586781 /nfs/dbraw/zinc/58/67/81/962586781.db2.gz QZKHNYSLSQDOBB-UHFFFAOYSA-N -1 0 342.317 3.512 20 0 EHADRM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2cc(C(=O)[O-])ccn2)o1 ZINC000263426463 962600459 /nfs/dbraw/zinc/60/04/59/962600459.db2.gz RJYGMDSITDVRQB-BLLLJJGKSA-N -1 0 342.395 3.549 20 0 EHADRM CC[C@H](NC(=O)c1c(C)coc1CC(=O)[O-])c1cccc(Cl)c1 ZINC000263448700 962633626 /nfs/dbraw/zinc/63/36/26/962633626.db2.gz RRLOZOZTQQLNHU-ZDUSSCGKSA-N -1 0 335.787 3.750 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)Nc2cccc(-c3cccs3)c2)C1 ZINC000263468917 962655505 /nfs/dbraw/zinc/65/55/05/962655505.db2.gz HCZIAROEJNSCIG-QGZVFWFLSA-N -1 0 330.409 3.744 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000263468445 962655755 /nfs/dbraw/zinc/65/57/55/962655755.db2.gz XELTZLBABOMPBO-OAHLLOKOSA-N -1 0 329.396 3.732 20 0 EHADRM CCc1ccc(CN(C(=O)c2c(C)coc2CC(=O)[O-])C2CC2)cc1 ZINC000263476642 962662197 /nfs/dbraw/zinc/66/21/97/962662197.db2.gz ZIGRLMAYEISDRG-UHFFFAOYSA-N -1 0 341.407 3.582 20 0 EHADRM CC(C)c1ccccc1Nc1ccc(C(=O)N2CC(C(=O)[O-])C2)cc1 ZINC001588972903 962670887 /nfs/dbraw/zinc/67/08/87/962670887.db2.gz CQSMVTNYWYRHHG-UHFFFAOYSA-N -1 0 338.407 3.710 20 0 EHADRM C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)NC2CCC(C(=O)[O-])CC2)C1 ZINC000263492501 962675439 /nfs/dbraw/zinc/67/54/39/962675439.db2.gz RQHGSHVRNPKHPC-AGERRDQYSA-N -1 0 344.455 3.813 20 0 EHADRM O=C([O-])c1ccc(CNc2ccccc2OC[C@H]2CCCCO2)cc1 ZINC000263492462 962676259 /nfs/dbraw/zinc/67/62/59/962676259.db2.gz ROTNGSZURQFYPS-QGZVFWFLSA-N -1 0 341.407 3.945 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)CC(C)(C)C(F)(F)F)cc1)C(=O)[O-] ZINC000263518993 962701178 /nfs/dbraw/zinc/70/11/78/962701178.db2.gz GFZUJCZILISCIB-SNVBAGLBSA-N -1 0 331.334 3.867 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000263520955 962703332 /nfs/dbraw/zinc/70/33/32/962703332.db2.gz HFNXFGLAAGVCJB-QMMMGPOBSA-N -1 0 337.725 3.684 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)s1 ZINC000263537995 962716324 /nfs/dbraw/zinc/71/63/24/962716324.db2.gz PKFNIGLXBHRHOV-ZNMIVQPWSA-N -1 0 341.432 3.855 20 0 EHADRM CC(C)(CC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)C(F)(F)F ZINC000263543571 962719362 /nfs/dbraw/zinc/71/93/62/962719362.db2.gz SBOKCHXJUIJRKX-UHFFFAOYSA-N -1 0 331.334 3.966 20 0 EHADRM CCC(CC)(CNC(=O)C1(Cc2ccccc2Cl)CC1)C(=O)[O-] ZINC000263541440 962719792 /nfs/dbraw/zinc/71/97/92/962719792.db2.gz RAUPRZBUDZBABJ-UHFFFAOYSA-N -1 0 337.847 3.670 20 0 EHADRM CC1(c2ccccc2)CC(NC(=O)CCc2ccccc2C(=O)[O-])C1 ZINC000263570778 962734293 /nfs/dbraw/zinc/73/42/93/962734293.db2.gz IOQOJBKYVQUZPC-UHFFFAOYSA-N -1 0 337.419 3.554 20 0 EHADRM COCc1cc(N[C@H](CCC(C)(C)C)C(=O)[O-])nc(C(C)(C)C)n1 ZINC001574169110 962742358 /nfs/dbraw/zinc/74/23/58/962742358.db2.gz OIJAQXANBBBQQS-CYBMUJFWSA-N -1 0 337.464 3.612 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(O)c(C(=O)[O-])c1)c1c[nH]c2ccccc21 ZINC001588994030 962824561 /nfs/dbraw/zinc/82/45/61/962824561.db2.gz KSMZBRWKORRPQW-LLVKDONJSA-N -1 0 338.363 3.704 20 0 EHADRM COc1cc(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)cc(OC)c1C(C)C ZINC001574185844 962832214 /nfs/dbraw/zinc/83/22/14/962832214.db2.gz BQBRZWPADYTIMQ-IBGZPJMESA-N -1 0 347.411 3.577 20 0 EHADRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)c1ccsc1 ZINC000311600238 963494912 /nfs/dbraw/zinc/49/49/12/963494912.db2.gz GPJNCWZMKCGDFN-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cccc(Cl)c2Cl)CC[C@H]1C(=O)[O-] ZINC000313979029 963695727 /nfs/dbraw/zinc/69/57/27/963695727.db2.gz PGTASYSWLIIXEZ-DTWKUNHWSA-N -1 0 331.199 3.568 20 0 EHADRM Cc1oc(CNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1C(=O)[O-] ZINC000314806085 963813176 /nfs/dbraw/zinc/81/31/76/963813176.db2.gz XHFLGDRUBORXDV-UHFFFAOYSA-N -1 0 343.166 3.915 20 0 EHADRM C[C@@H](NC(=O)c1c[nH]c(C(=O)[O-])c1)c1ccc(Cl)cc1Cl ZINC000315146995 963861655 /nfs/dbraw/zinc/86/16/55/963861655.db2.gz WSYYPWVNYXVFLX-SSDOTTSWSA-N -1 0 327.167 3.511 20 0 EHADRM O=C([O-])c1ccc(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2)nc1 ZINC000315287833 963875786 /nfs/dbraw/zinc/87/57/86/963875786.db2.gz GZXBGULMUFMGAH-DAFODLJHSA-N -1 0 337.162 3.739 20 0 EHADRM CC(C)COc1cccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000236693622 967778427 /nfs/dbraw/zinc/77/84/27/967778427.db2.gz HCHVVYTZAGWLAD-MRXNPFEDSA-N -1 0 333.428 3.581 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)NCCCCCC(=O)[O-] ZINC000237388640 967783000 /nfs/dbraw/zinc/78/30/00/967783000.db2.gz DNFMPTBOYZQDOR-LLVKDONJSA-N -1 0 329.849 3.582 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CC=C(c2cccc3ccccc32)CC1 ZINC000261998674 967807084 /nfs/dbraw/zinc/80/70/84/967807084.db2.gz DITGADOVVWFQSM-RTBURBONSA-N -1 0 335.403 3.566 20 0 EHADRM CC(C)(C)c1nc2ccc(NC(=O)[C@@H]3CC[C@H]3C(=O)[O-])cc2s1 ZINC000262120503 967810448 /nfs/dbraw/zinc/81/04/48/967810448.db2.gz NGCPRGHDKFVPQV-GHMZBOCLSA-N -1 0 332.425 3.643 20 0 EHADRM C[C@H]1CN(C(=O)c2ccccc2Nc2ccccc2)CC[C@H]1C(=O)[O-] ZINC000262809021 967826907 /nfs/dbraw/zinc/82/69/07/967826907.db2.gz AXJXNCIUMZEMQR-GOEBONIOSA-N -1 0 338.407 3.613 20 0 EHADRM C[C@@H](CN(C)C(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1)C(=O)[O-] ZINC000262922117 967832258 /nfs/dbraw/zinc/83/22/58/967832258.db2.gz FRBMYBDCZCGAJR-SWLSCSKDSA-N -1 0 338.423 3.665 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cccc(Oc3ccccc3)c2)C1 ZINC000263123783 967850286 /nfs/dbraw/zinc/85/02/86/967850286.db2.gz CMJITLUNXTYYFK-ZBFHGGJFSA-N -1 0 339.391 3.662 20 0 EHADRM C[C@H](CC(=O)NCCC(C)(C)C(=O)[O-])Cc1ccc(Cl)cc1 ZINC000263167726 967856392 /nfs/dbraw/zinc/85/63/92/967856392.db2.gz YLCOXXWRRKCTCF-LBPRGKRZSA-N -1 0 325.836 3.526 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000314463503 967967427 /nfs/dbraw/zinc/96/74/27/967967427.db2.gz LZHVHUWJKFSHEV-AAEUAGOBSA-N -1 0 341.860 3.676 20 0 EHADRM O=C([O-])CCCCNC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000316126019 967976969 /nfs/dbraw/zinc/97/69/69/967976969.db2.gz DSLONGNIJMMUQH-UHFFFAOYSA-N -1 0 338.713 3.735 20 0 EHADRM C[C@@H]1CCC[C@H](n2c(=O)c3ccccc3nc2SCC(=O)[O-])[C@H]1C ZINC000323833432 968026803 /nfs/dbraw/zinc/02/68/03/968026803.db2.gz INVSURROGMTKAG-XUJVJEKNSA-N -1 0 346.452 3.570 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)Nc2c(F)cccc2Cl)Cc2ccccc21 ZINC000326177143 968042458 /nfs/dbraw/zinc/04/24/58/968042458.db2.gz LFRPHPQEGQKCOS-GFCCVEGCSA-N -1 0 348.761 3.695 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)c2ccccc2OC2CCCCC2)C1 ZINC000532676096 968399653 /nfs/dbraw/zinc/39/96/53/968399653.db2.gz DSQJSDLXXWINDM-OAHLLOKOSA-N -1 0 345.439 3.725 20 0 EHADRM CCSc1cccc(F)c1NC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000630569211 968538652 /nfs/dbraw/zinc/53/86/52/968538652.db2.gz NEOGRBXUTVZJCS-QWRGUYRKSA-N -1 0 340.420 3.512 20 0 EHADRM CC[C@H](C)Oc1ccc(NC(=O)N2CCC(C)(C(=O)[O-])CC2)cc1 ZINC000647694674 968577473 /nfs/dbraw/zinc/57/74/73/968577473.db2.gz KLBYXIOMNUIYAE-ZDUSSCGKSA-N -1 0 334.416 3.583 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)Cc2ccc3c(c2)CCCC3)c2ccccc21 ZINC000653333739 968666045 /nfs/dbraw/zinc/66/60/45/968666045.db2.gz SPADIXUKXXPXOO-UXHICEINSA-N -1 0 349.430 3.537 20 0 EHADRM C[C@H](CNC(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1)C(=O)[O-] ZINC000655883174 968704393 /nfs/dbraw/zinc/70/43/93/968704393.db2.gz VJNCPBLTLMBCFT-KGLIPLIRSA-N -1 0 346.452 3.742 20 0 EHADRM CCN(C(=O)c1cc(SC)c(Cl)cc1Cl)[C@H](C)C(=O)[O-] ZINC000659772718 968748296 /nfs/dbraw/zinc/74/82/96/968748296.db2.gz ZRMGIDAMZWHJRY-SSDOTTSWSA-N -1 0 336.240 3.651 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)c1ccc([C@@H]2CCCOC2)cc1)C(=O)[O-] ZINC000668289163 968851591 /nfs/dbraw/zinc/85/15/91/968851591.db2.gz QENMPJUXSAINOZ-IAGOWNOFSA-N -1 0 347.455 3.590 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)/C=C/SCc2ccco2)c1 ZINC000786620159 969173573 /nfs/dbraw/zinc/17/35/73/969173573.db2.gz WRTVLJQODMRPEH-CSKARUKUSA-N -1 0 331.393 3.682 20 0 EHADRM CC(C)C[C@H](CNc1cc(Cl)nc([C@@H]2CCCO2)n1)CC(=O)[O-] ZINC000886912077 969407568 /nfs/dbraw/zinc/40/75/68/969407568.db2.gz KLHWGTQDQCHDCV-RYUDHWBXSA-N -1 0 341.839 3.530 20 0 EHADRM Cc1cc(N2CCCCCC2)ccc1NC(=O)N[C@H](C(=O)[O-])C(C)C ZINC000900346351 969423068 /nfs/dbraw/zinc/42/30/68/969423068.db2.gz HWUCAXDUCXMIFO-KRWDZBQOSA-N -1 0 347.459 3.606 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CCCC[C@H]2c2cccc(Cl)c2)C1 ZINC000901437787 969427926 /nfs/dbraw/zinc/42/79/26/969427926.db2.gz DHLWEXZSRAJISY-VNQPRFMTSA-N -1 0 335.831 3.547 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2ccnc3cc(Cl)ccc32)CC1 ZINC000923070008 969645654 /nfs/dbraw/zinc/64/56/54/969645654.db2.gz LFNRQMZBFPCPMZ-UHFFFAOYSA-N -1 0 346.814 3.605 20 0 EHADRM CC(C)N(CC1CCC1)C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001121845084 969680289 /nfs/dbraw/zinc/68/02/89/969680289.db2.gz WHJWIMJBLLMGNA-IRXDYDNUSA-N -1 0 330.428 3.520 20 0 EHADRM COCC[C@@H]1CCN(C(=O)c2cccc(C(=O)[O-])c2)c2ccccc21 ZINC001345809112 969762455 /nfs/dbraw/zinc/76/24/55/969762455.db2.gz OZEJGKLKGLEJHN-AWEZNQCLSA-N -1 0 339.391 3.555 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)c2cc(Cl)ccc2F)cc1F ZINC000317234261 970340890 /nfs/dbraw/zinc/34/08/90/970340890.db2.gz JAJIKYOTODUKGQ-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM Cc1cc(Cl)cc(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)c1 ZINC000317451989 970360600 /nfs/dbraw/zinc/36/06/00/970360600.db2.gz NLJKNGJBZJUWIE-UHFFFAOYSA-N -1 0 325.698 3.877 20 0 EHADRM O=C([O-])c1ccc([N+](=O)[O-])c(OCc2ccc(Cl)c(F)c2)c1 ZINC000319518297 970544001 /nfs/dbraw/zinc/54/40/01/970544001.db2.gz OEUBFTPITOJKQE-UHFFFAOYSA-N -1 0 325.679 3.665 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)ccc1F ZINC000319796038 970573266 /nfs/dbraw/zinc/57/32/66/970573266.db2.gz GYNHHZKIYMQIPL-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM Cc1cccc2c(=O)[nH]c(CSc3ccc(C(=O)[O-])cc3)nc12 ZINC000319979834 970596775 /nfs/dbraw/zinc/59/67/75/970596775.db2.gz KNGDOFITCXVJOM-UHFFFAOYSA-N -1 0 326.377 3.634 20 0 EHADRM Cc1ccccc1N(CCC(=O)[O-])C(=O)CCCc1cccs1 ZINC000320039307 970605924 /nfs/dbraw/zinc/60/59/24/970605924.db2.gz QVEYGBGAVVCEJT-UHFFFAOYSA-N -1 0 331.437 3.887 20 0 EHADRM O=C([O-])c1ccc(OCc2ccn(-c3ccccc3)n2)c(Cl)c1 ZINC000320136835 970619869 /nfs/dbraw/zinc/61/98/69/970619869.db2.gz ATGLTMXEWRSTTI-UHFFFAOYSA-N -1 0 328.755 3.803 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)/C=C\c1ccc(Cl)cc1 ZINC000320341317 970651692 /nfs/dbraw/zinc/65/16/92/970651692.db2.gz OIKNJXCFQPCKLS-JIWSMHAHSA-N -1 0 333.815 3.598 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000320743998 970709515 /nfs/dbraw/zinc/70/95/15/970709515.db2.gz WKSFCDHALQTNJB-UHFFFAOYSA-N -1 0 332.787 3.711 20 0 EHADRM CCOc1ccccc1NC(=O)CSc1ccc(C(=O)[O-])cc1 ZINC000320742754 970709812 /nfs/dbraw/zinc/70/98/12/970709812.db2.gz ZBLAPWDYUFLVJD-UHFFFAOYSA-N -1 0 331.393 3.514 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)c2ccccc2SC(F)(F)F)C1 ZINC000320810797 970717085 /nfs/dbraw/zinc/71/70/85/970717085.db2.gz ZXTFITYPVSOBDQ-AWEZNQCLSA-N -1 0 347.358 3.625 20 0 EHADRM CCCOc1ccc(NC(=O)NCCc2ccc(C(=O)[O-])cc2)cc1 ZINC000392929785 972545275 /nfs/dbraw/zinc/54/52/75/972545275.db2.gz OGGANRHRKFTZOI-UHFFFAOYSA-N -1 0 342.395 3.538 20 0 EHADRM CSc1cc(N[C@@H](CCC(C)(C)C)C(=O)[O-])nc(SC)n1 ZINC001604963104 972551273 /nfs/dbraw/zinc/55/12/73/972551273.db2.gz YHPDHYJYBWLXQT-VIFPVBQESA-N -1 0 329.491 3.612 20 0 EHADRM CCc1ccc(NC(=O)N(C)Cc2cccc(OC)c2)c(C(=O)[O-])c1 ZINC000392981346 972552409 /nfs/dbraw/zinc/55/24/09/972552409.db2.gz XSHLMRKCYTUJHU-UHFFFAOYSA-N -1 0 342.395 3.620 20 0 EHADRM COc1cc(NC(=O)NCC[C@@H](C)c2ccccc2)ccc1C(=O)[O-] ZINC000393026468 972556703 /nfs/dbraw/zinc/55/67/03/972556703.db2.gz GAWICJIVTWVGMP-CYBMUJFWSA-N -1 0 342.395 3.709 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)N[C@H]2CCc3cccc4cccc2c43)c1 ZINC001605845835 972588093 /nfs/dbraw/zinc/58/80/93/972588093.db2.gz XRRTWRMYGNOCAK-INIZCTEOSA-N -1 0 347.374 3.742 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H]2C[C@H](c3ccccc3)C2)c(F)c1 ZINC001605846940 972589535 /nfs/dbraw/zinc/58/95/35/972589535.db2.gz FIGDMNHYAINROL-HDJSIYSDSA-N -1 0 328.343 3.592 20 0 EHADRM C[C@H](NC(=O)[C@]1(C(=O)[O-])CC1(C)C)c1ccc(Cl)cc1Cl ZINC001605040969 972648915 /nfs/dbraw/zinc/64/89/15/972648915.db2.gz DHRKVYPMKBUCRW-AYVTZFPOSA-N -1 0 330.211 3.672 20 0 EHADRM O=C([O-])c1c(NC(=O)c2ccc(C3CC3)cc2)sc2c1COCC2 ZINC001605878816 972662278 /nfs/dbraw/zinc/66/22/78/972662278.db2.gz PRRLFAIMBROTKA-UHFFFAOYSA-N -1 0 343.404 3.649 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)N2CCC[C@H](CC(=O)[O-])C2)c2ccccc21 ZINC001603327860 972675825 /nfs/dbraw/zinc/67/58/25/972675825.db2.gz POWVTHJFKFFISU-RHSMWYFYSA-N -1 0 344.455 3.695 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2CCC(F)(F)C2)ccc1Br ZINC000394169913 972678366 /nfs/dbraw/zinc/67/83/66/972678366.db2.gz JYZBFHMKNIVUIK-SSDOTTSWSA-N -1 0 348.143 3.521 20 0 EHADRM CC1(C)CCC[C@H]1N(Cc1ccccc1)C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001603329006 972687196 /nfs/dbraw/zinc/68/71/96/972687196.db2.gz TYFIHUGLPYQZDK-GVDBMIGSSA-N -1 0 329.440 3.705 20 0 EHADRM C[C@H](Cc1cccs1)NC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000396346160 972857415 /nfs/dbraw/zinc/85/74/15/972857415.db2.gz BCNGEFBRWJCXDB-NEPJUHHUSA-N -1 0 332.425 3.689 20 0 EHADRM COc1ccc([C@H](C)NC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cc1 ZINC000396353398 972863179 /nfs/dbraw/zinc/86/31/79/972863179.db2.gz BEGQRLNCIFVURB-OLZOCXBDSA-N -1 0 342.395 3.766 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC000396613882 972923085 /nfs/dbraw/zinc/92/30/85/972923085.db2.gz ICPBJKMGJWJVNR-UONOGXRCSA-N -1 0 326.396 3.800 20 0 EHADRM CCN(Cc1ccccc1)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000396645853 972929432 /nfs/dbraw/zinc/92/94/32/972929432.db2.gz RQNNFWJJFLTBPE-AWEZNQCLSA-N -1 0 326.396 3.929 20 0 EHADRM Cc1cc(NCC23CC(C2)CN3C(=O)OC(C)(C)C)ccc1C(=O)[O-] ZINC001605213522 972957246 /nfs/dbraw/zinc/95/72/46/972957246.db2.gz QMSSKLIDVWPINY-UHFFFAOYSA-N -1 0 346.427 3.505 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1cc(-c2ccccc2)ns1 ZINC001603381648 972964688 /nfs/dbraw/zinc/96/46/88/972964688.db2.gz TVVHSHJDQXVPBX-YPMHNXCESA-N -1 0 345.424 3.527 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1cccc(COC(C)(C)C)c1 ZINC001603388471 972990504 /nfs/dbraw/zinc/99/05/04/972990504.db2.gz JLGSKBPBJIZCIK-HIFRSBDPSA-N -1 0 348.443 3.719 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)N2CCC3(C2)CCCCC3)c2ccccc21 ZINC001605976614 973001075 /nfs/dbraw/zinc/00/10/75/973001075.db2.gz DYDYDYBNAIQIFF-SJORKVTESA-N -1 0 342.439 3.665 20 0 EHADRM Cc1ccc(C(F)(F)C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC001605256493 973026288 /nfs/dbraw/zinc/02/62/88/973026288.db2.gz ATTMBQJBUWJGKB-HOTGVXAUSA-N -1 0 345.345 3.516 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)NCc2ccccc2C(=O)[O-])cc1 ZINC001605262582 973039251 /nfs/dbraw/zinc/03/92/51/973039251.db2.gz KEEUKBYBDWKKMO-GOSISDBHSA-N -1 0 338.407 3.740 20 0 EHADRM Cc1ccc(CN(C)C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)o1 ZINC001605273046 973054176 /nfs/dbraw/zinc/05/41/76/973054176.db2.gz BSOHULMAGOXZGA-UHFFFAOYSA-N -1 0 340.738 3.743 20 0 EHADRM C[C@@H]1CCCN(C(=O)CCc2ccc(F)c3ccccc23)[C@H]1C(=O)[O-] ZINC001603407891 973075706 /nfs/dbraw/zinc/07/57/06/973075706.db2.gz WTENOHIGFDZYFS-BFUOFWGJSA-N -1 0 343.398 3.623 20 0 EHADRM C[C@@H]1CCCN(C(=O)CCc2ccc(F)c3ccccc23)[C@@H]1C(=O)[O-] ZINC001603407894 973076353 /nfs/dbraw/zinc/07/63/53/973076353.db2.gz WTENOHIGFDZYFS-YJYMSZOUSA-N -1 0 343.398 3.623 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)NCCCC2CCCCC2)Cc2ccccc21 ZINC001606035246 973134748 /nfs/dbraw/zinc/13/47/48/973134748.db2.gz FADFPBHCGPRIAF-SFHVURJKSA-N -1 0 344.455 3.741 20 0 EHADRM Cc1ccc2oc(CNC(=O)N3CCCC[C@H]3CCC(=O)[O-])cc2c1 ZINC001605315118 973145111 /nfs/dbraw/zinc/14/51/11/973145111.db2.gz UCGTXIHXODGJNL-HNNXBMFYSA-N -1 0 344.411 3.670 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC001605320171 973152332 /nfs/dbraw/zinc/15/23/32/973152332.db2.gz BELLHPXJDHALHS-VXGBXAGGSA-N -1 0 331.318 3.714 20 0 EHADRM C[C@H]1CCc2c(sc(NC(=O)/C=C/c3cccnc3)c2C(=O)[O-])C1 ZINC001603434017 973195639 /nfs/dbraw/zinc/19/56/39/973195639.db2.gz LUYZMGRHZIJYAH-ZRQQLDRUSA-N -1 0 342.420 3.618 20 0 EHADRM Cc1cccc2oc(C(=O)N3Cc4ccccc4[C@@H](C(=O)[O-])C3)cc21 ZINC001605350064 973250734 /nfs/dbraw/zinc/25/07/34/973250734.db2.gz OXRKJUARIBCZEB-INIZCTEOSA-N -1 0 335.359 3.565 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000400498036 973289315 /nfs/dbraw/zinc/28/93/15/973289315.db2.gz MGMIBOUNYUZFLU-KSSFIOAISA-N -1 0 325.408 3.973 20 0 EHADRM O=C([O-])CCCCC(=O)OCc1cc(F)c(C(F)(F)F)c(F)c1 ZINC001606146259 973402305 /nfs/dbraw/zinc/40/23/05/973402305.db2.gz OSHVZWSXAGOEHN-UHFFFAOYSA-N -1 0 340.244 3.672 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])cc1 ZINC001603544651 973602212 /nfs/dbraw/zinc/60/22/12/973602212.db2.gz LBLXSZAAKMUSSG-SUMWQHHRSA-N -1 0 333.428 3.579 20 0 EHADRM O=C([O-])c1ccc(OC[C@@H]2CC[C@@H]3C[C@@H]3C2)c(Br)c1 ZINC000403662631 973683390 /nfs/dbraw/zinc/68/33/90/973683390.db2.gz SXRBOPRHUPZDEX-FOGDFJRCSA-N -1 0 325.202 3.962 20 0 EHADRM O=C([O-])COc1ccc(C(=O)N[C@H](C2CCC2)C2CCCCC2)cc1 ZINC001606287011 973687932 /nfs/dbraw/zinc/68/79/32/973687932.db2.gz LSNJCBJSNXLYOH-IBGZPJMESA-N -1 0 345.439 3.629 20 0 EHADRM CC[C@H](NC(=O)Nc1ccnc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001603581996 973739644 /nfs/dbraw/zinc/73/96/44/973739644.db2.gz FNHRHZVPZOSAIL-ZDUSSCGKSA-N -1 0 333.775 3.706 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cscc2Br)s1 ZINC000404760238 973747628 /nfs/dbraw/zinc/74/76/28/973747628.db2.gz HTPKUJUJUBHBMD-UHFFFAOYSA-N -1 0 332.200 3.523 20 0 EHADRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000405190566 973775465 /nfs/dbraw/zinc/77/54/65/973775465.db2.gz QHOGQKTVHPBJPQ-QPUJVOFHSA-N -1 0 331.199 3.758 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)[C@H](C)c2cc3ccccc3o2)C1 ZINC001603593975 973813678 /nfs/dbraw/zinc/81/36/78/973813678.db2.gz NUMGYZSIDGZRDQ-BFUOFWGJSA-N -1 0 329.396 3.640 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1cccnc1C(=O)[O-] ZINC001603594205 973818523 /nfs/dbraw/zinc/81/85/23/973818523.db2.gz ZTXQCJIRFJDJPT-HNNXBMFYSA-N -1 0 342.395 3.699 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1C(=O)c1ccc(OCC2CCCCC2)cc1 ZINC001606367606 973824641 /nfs/dbraw/zinc/82/46/41/973824641.db2.gz OEMLNTVKZSQBAA-SFHVURJKSA-N -1 0 345.439 3.725 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC001606394822 973843821 /nfs/dbraw/zinc/84/38/21/973843821.db2.gz VUHDZRDKTRRKMO-CABCVRRESA-N -1 0 335.831 3.521 20 0 EHADRM COc1cc(Cl)c(NC(=O)c2coc(/C=C/C(=O)[O-])c2)cc1C ZINC001604716017 973916027 /nfs/dbraw/zinc/91/60/27/973916027.db2.gz MDLNSBNSXXIZNE-ONEGZZNKSA-N -1 0 335.743 3.600 20 0 EHADRM C[C@H](NC(=O)NCCCCCC(=O)[O-])c1ccccc1C(F)(F)F ZINC000414595488 973941543 /nfs/dbraw/zinc/94/15/43/973941543.db2.gz AXNNAYXITHWAID-NSHDSACASA-N -1 0 346.349 3.711 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc3ccc(C(F)(F)F)cc3[nH]2)ccn1 ZINC001606466441 973942254 /nfs/dbraw/zinc/94/22/54/973942254.db2.gz SVVZZOLJDKFFEH-UHFFFAOYSA-N -1 0 349.268 3.532 20 0 EHADRM CC[C@@H]1Cc2ccccc2CN1C(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001603628397 973946954 /nfs/dbraw/zinc/94/69/54/973946954.db2.gz JUDZMYJZHKUCQM-MAUKXSAKSA-N -1 0 346.471 3.670 20 0 EHADRM C[C@H](Cc1ccc(NCc2ccc(Br)o2)cc1)C(=O)[O-] ZINC000417611914 973966037 /nfs/dbraw/zinc/96/60/37/973966037.db2.gz QCMDZUHQNINZIG-SNVBAGLBSA-N -1 0 338.201 3.917 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)N1CC[C@H]1c1ccc(Cl)cc1 ZINC001606523343 974028753 /nfs/dbraw/zinc/02/87/53/974028753.db2.gz LLZPNRYLNRFYTF-INIZCTEOSA-N -1 0 344.798 3.695 20 0 EHADRM CC(C)(CCNC(=O)Nc1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000424465863 974038234 /nfs/dbraw/zinc/03/82/34/974038234.db2.gz FVWRZRZPAMECOZ-UHFFFAOYSA-N -1 0 334.416 3.630 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)[C@H](Sc1ccccc1F)c1ccccc1 ZINC000427748626 974058523 /nfs/dbraw/zinc/05/85/23/974058523.db2.gz ZCWKWZLFXXYTBH-SJKOYZFVSA-N -1 0 347.411 3.639 20 0 EHADRM Cc1cc(Br)ccc1CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000431189011 974061832 /nfs/dbraw/zinc/06/18/32/974061832.db2.gz YLIFEZLMXRAZEW-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM CCCOc1ccc(CCC(=O)NCC2(C(=O)[O-])CCCCC2)cc1 ZINC000431866768 974077459 /nfs/dbraw/zinc/07/74/59/974077459.db2.gz WUEOURZRMDAGIF-UHFFFAOYSA-N -1 0 347.455 3.559 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)C/C=C/Cc2ccccc2)c2ccccc21 ZINC001605670235 974080650 /nfs/dbraw/zinc/08/06/50/974080650.db2.gz GSYIYIHWCMACFE-BBDZXRDTSA-N -1 0 335.403 3.605 20 0 EHADRM Cc1cc(C(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])c(Cl)cc1F ZINC000432100716 974086444 /nfs/dbraw/zinc/08/64/44/974086444.db2.gz VODUYUKNJNJWJK-BZNIZROVSA-N -1 0 327.783 3.551 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NCC2(Cc3ccccc3)CCCC2)C1 ZINC000432105085 974086655 /nfs/dbraw/zinc/08/66/55/974086655.db2.gz CPIVTHZBGNQNLA-QZTJIDSGSA-N -1 0 343.467 3.797 20 0 EHADRM CC(C)(CCC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000432112931 974087376 /nfs/dbraw/zinc/08/73/76/974087376.db2.gz DRMQDFSTQKPQLX-OXQOHEQNSA-N -1 0 331.456 3.894 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCC2(Cc3ccccc3)CCCC2)o1 ZINC000432105941 974087658 /nfs/dbraw/zinc/08/76/58/974087658.db2.gz GRDSNFVWWWOWCJ-UHFFFAOYSA-N -1 0 327.380 3.511 20 0 EHADRM Cc1ccc2c(CC(=O)N[C@@]3(C)CCCC[C@@H]3C(=O)[O-])coc2c1C ZINC000432120505 974088641 /nfs/dbraw/zinc/08/86/41/974088641.db2.gz ANWWDCVZMCOWEW-UZLBHIALSA-N -1 0 343.423 3.742 20 0 EHADRM Cc1ccc(C)c([C@H](C)N(C)C(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000432120602 974089081 /nfs/dbraw/zinc/08/90/81/974089081.db2.gz QYFNJGOQKQIIQW-ZDUSSCGKSA-N -1 0 329.371 3.974 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N[C@]3(C)CCCC[C@@H]3C(=O)[O-])cc2c1C ZINC000432123601 974090476 /nfs/dbraw/zinc/09/04/76/974090476.db2.gz VPYDNTFHLFTQRK-AUUYWEPGSA-N -1 0 328.412 3.548 20 0 EHADRM Cc1[nH]c2ccc(C(=O)N[C@]3(C)CCCC[C@H]3C(=O)[O-])cc2c1C ZINC000432137438 974092690 /nfs/dbraw/zinc/09/26/90/974092690.db2.gz DPADCKLBRVEFQY-HNAYVOBHSA-N -1 0 328.412 3.548 20 0 EHADRM COc1cccc(-c2csc(C[N@@H+]3C[C@H](C(=O)[O-])CC[C@H]3C)n2)c1 ZINC001604854487 974093295 /nfs/dbraw/zinc/09/32/95/974093295.db2.gz BMIRHILKDOKPSB-TZMCWYRMSA-N -1 0 346.452 3.504 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCc2c(Cl)cccc2Cl)ccn1 ZINC001605687153 974100794 /nfs/dbraw/zinc/10/07/94/974100794.db2.gz FRTUCWWFAVBYLY-UHFFFAOYSA-N -1 0 339.178 3.658 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC001604857125 974101944 /nfs/dbraw/zinc/10/19/44/974101944.db2.gz UIUCSWXVQJUAHW-CVEARBPZSA-N -1 0 347.455 3.682 20 0 EHADRM COc1cccc(CN2C[C@@H](CCC(=O)[O-])Cc3ccccc32)c1 ZINC001604863406 974108450 /nfs/dbraw/zinc/10/84/50/974108450.db2.gz YQTRVKQAEGGSLO-INIZCTEOSA-N -1 0 325.408 3.739 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC000439808887 974110123 /nfs/dbraw/zinc/11/01/23/974110123.db2.gz JGOSFPNQOCGPTF-APPDUMDISA-N -1 0 345.345 3.886 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1cccc2c1CCC2)C(=O)[O-] ZINC000439933208 974114443 /nfs/dbraw/zinc/11/44/43/974114443.db2.gz IRVGJNIUQGCIJW-HNNXBMFYSA-N -1 0 337.419 3.538 20 0 EHADRM CC(C)C[C@H](C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000449142761 974146046 /nfs/dbraw/zinc/14/60/46/974146046.db2.gz UMRRBRRMUSRBCI-WMZOPIPTSA-N -1 0 331.456 3.920 20 0 EHADRM CCN(C(=O)Nc1ccc(OCCC(C)C)c(F)c1)[C@H](C)C(=O)[O-] ZINC001603717234 974146690 /nfs/dbraw/zinc/14/66/90/974146690.db2.gz VRSQUZJUWAVKJO-GFCCVEGCSA-N -1 0 340.395 3.578 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)c1cccc(C(F)F)c1 ZINC000450524156 974146967 /nfs/dbraw/zinc/14/69/67/974146967.db2.gz MBBMJHGTJDIKHK-CQSZACIVSA-N -1 0 325.355 3.778 20 0 EHADRM CC(C)(C)c1ccc(CCCC(=O)N2CCC[C@@H]2CC(=O)[O-])cc1 ZINC000455867332 974155957 /nfs/dbraw/zinc/15/59/57/974155957.db2.gz IEEGVDVYMWOJIF-QGZVFWFLSA-N -1 0 331.456 3.773 20 0 EHADRM CC(C)Cn1cc(C(=O)NCCC(C)(C)C(=O)[O-])c2ccccc21 ZINC000455915770 974167975 /nfs/dbraw/zinc/16/79/75/974167975.db2.gz ZEYYPHJOMDKCIT-UHFFFAOYSA-N -1 0 330.428 3.528 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NCC1(Cc2ccccc2)CCCC1 ZINC000485417573 974228129 /nfs/dbraw/zinc/22/81/29/974228129.db2.gz WMYVXTZHEWMJJL-UHFFFAOYSA-N -1 0 331.456 3.797 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1ccc(-c2ccc(F)cc2)cc1 ZINC000507320375 974276066 /nfs/dbraw/zinc/27/60/66/974276066.db2.gz SUJHTNWWVHZVGZ-UYHISHBKSA-N -1 0 341.382 3.781 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCc2c(Cl)cc(Cl)cc2[C@@H]1C ZINC000518562731 974324376 /nfs/dbraw/zinc/32/43/76/974324376.db2.gz NIICNJZHHSUFKL-ZJUUUORDSA-N -1 0 344.238 3.940 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCc2c(Cl)cc(Cl)cc2[C@H]1C ZINC000518562628 974324520 /nfs/dbraw/zinc/32/45/20/974324520.db2.gz NIICNJZHHSUFKL-NXEZZACHSA-N -1 0 344.238 3.940 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(NCc3cnc(C)cc3C)c12 ZINC000518776490 974325445 /nfs/dbraw/zinc/32/54/45/974325445.db2.gz DABMFUPBSGZMOH-UHFFFAOYSA-N -1 0 342.424 3.630 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000520612867 974340469 /nfs/dbraw/zinc/34/04/69/974340469.db2.gz ZEIQRMNGXQMQOD-VBQJREDUSA-N -1 0 333.428 3.799 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1cc(F)ccc1SCC(F)F ZINC000520838073 974340984 /nfs/dbraw/zinc/34/09/84/974340984.db2.gz PCEMOEFWKASGSK-MRVPVSSYSA-N -1 0 335.347 3.622 20 0 EHADRM Cc1ccc(C(C)(C)C)cc1S([O-])=CC(=O)NCc1cccs1 ZINC000107960032 1014188077 /nfs/dbraw/zinc/18/80/77/1014188077.db2.gz XZALNCCFRRBULG-QHCPKHFHSA-N -1 0 349.521 3.778 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000537474048 974384208 /nfs/dbraw/zinc/38/42/08/974384208.db2.gz JSOOXCKGHWNIRB-AWEZNQCLSA-N -1 0 335.419 3.546 20 0 EHADRM CN(Cc1ccccc1Cl)C(=O)CCc1ccccc1C(=O)[O-] ZINC000539676262 974398175 /nfs/dbraw/zinc/39/81/75/974398175.db2.gz MAFVGNQZWLKJDD-UHFFFAOYSA-N -1 0 331.799 3.629 20 0 EHADRM Cc1ccc(NC(=O)Cc2cccc(C(=O)[O-])c2)cc1C(F)(F)F ZINC000539677481 974400131 /nfs/dbraw/zinc/40/01/31/974400131.db2.gz AYWPCESIUPXILL-UHFFFAOYSA-N -1 0 337.297 3.893 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)C/C=C\c1ccc(F)cc1)CC2 ZINC000540775391 974408331 /nfs/dbraw/zinc/40/83/31/974408331.db2.gz FPRHDMAEMJPHCP-UPHRSURJSA-N -1 0 339.366 3.512 20 0 EHADRM COc1cc(N)ccc1Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001211487566 1014193584 /nfs/dbraw/zinc/19/35/84/1014193584.db2.gz JSGMBADRIBOXIY-UHFFFAOYSA-N -1 0 326.274 3.738 20 0 EHADRM CCc1ccc(F)cc1C(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC001603974784 974460153 /nfs/dbraw/zinc/46/01/53/974460153.db2.gz DWLKFKODHMGCNZ-UHFFFAOYSA-N -1 0 327.355 3.679 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N(C)Cc2ccccc2)cc1)C(=O)[O-] ZINC000548260721 974461766 /nfs/dbraw/zinc/46/17/66/974461766.db2.gz OZOMZYUZZLTBEY-CQSZACIVSA-N -1 0 326.396 3.614 20 0 EHADRM CN(C(=O)C1(C(=O)[O-])CCSCC1)C1CCC(C(C)(C)C)CC1 ZINC001604023837 974536955 /nfs/dbraw/zinc/53/69/55/974536955.db2.gz AXGJALDVPZCKHV-UHFFFAOYSA-N -1 0 341.517 3.648 20 0 EHADRM Cc1sc2nc(C)nc(N[C@@H](C)c3ncc(C(=O)[O-])s3)c2c1C ZINC000565040993 974564916 /nfs/dbraw/zinc/56/49/16/974564916.db2.gz JCKGAWLCQOMFHC-ZETCQYMHSA-N -1 0 348.453 3.944 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1Cl)N(C)Cc1oncc1C(=O)[O-] ZINC000565104559 974570309 /nfs/dbraw/zinc/57/03/09/974570309.db2.gz UQQCJCPOUBEIFW-QMMMGPOBSA-N -1 0 329.183 3.873 20 0 EHADRM COc1ccc(Cl)cc1CN(C)[C@@H](C(=O)[O-])c1ccsc1 ZINC000565957509 974592247 /nfs/dbraw/zinc/59/22/47/974592247.db2.gz PDMXIQSLRDGBEW-CQSZACIVSA-N -1 0 325.817 3.668 20 0 EHADRM O=C([O-])c1cccc(COc2ccccc2C(=O)N2CCCCC2)c1 ZINC000566240990 974599696 /nfs/dbraw/zinc/59/96/96/974599696.db2.gz PRDJMUYJSKPVFK-UHFFFAOYSA-N -1 0 339.391 3.590 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)c1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000566288730 974602294 /nfs/dbraw/zinc/60/22/94/974602294.db2.gz MKEMSRPQKZRHJF-BXUZGUMPSA-N -1 0 345.361 3.801 20 0 EHADRM COc1ccc([C@@H]2CCCCCN2C(=O)C[C@@H](C)CC(=O)[O-])cc1 ZINC000566807326 974622077 /nfs/dbraw/zinc/62/20/77/974622077.db2.gz MNZYFASQVNJBSO-PBHICJAKSA-N -1 0 333.428 3.640 20 0 EHADRM Cc1cc([C@@H]2CN(Cc3ccc(C(=O)[O-])cc3F)CCO2)ccc1F ZINC000566803538 974622272 /nfs/dbraw/zinc/62/22/72/974622272.db2.gz XSACFKQFGRXFCA-SFHVURJKSA-N -1 0 347.361 3.545 20 0 EHADRM CCc1cccc(OCC(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC000568466045 974671422 /nfs/dbraw/zinc/67/14/22/974671422.db2.gz HRGLMWTVRYDDRN-CQSZACIVSA-N -1 0 341.407 3.530 20 0 EHADRM CC1CCC(OC2CCN([C@@H](C(=O)[O-])c3ccsc3)CC2)CC1 ZINC000569347446 974689249 /nfs/dbraw/zinc/68/92/49/974689249.db2.gz CBDYHYKQHKGLFL-PUJMQQBBSA-N -1 0 337.485 3.934 20 0 EHADRM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccoc1C1CC1 ZINC000569607986 974695365 /nfs/dbraw/zinc/69/53/65/974695365.db2.gz ZRZYSRJLLCKWOB-UHFFFAOYSA-N -1 0 349.333 3.552 20 0 EHADRM O=C([O-])CC1(CNC(=O)[C@@H](c2ccccc2)C2CC2)CCCCC1 ZINC000570277580 974708232 /nfs/dbraw/zinc/70/82/32/974708232.db2.gz JHRIEPWTYHNCGO-SFHVURJKSA-N -1 0 329.440 3.722 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2cccc3c2ccn3C)cc1)C(=O)[O-] ZINC000571739726 974735443 /nfs/dbraw/zinc/73/54/43/974735443.db2.gz VHOSNDRWGZDDCM-ZDUSSCGKSA-N -1 0 336.391 3.694 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)nc1 ZINC000573340239 974764324 /nfs/dbraw/zinc/76/43/24/974764324.db2.gz OSHSKJOFDNKSLW-UHFFFAOYSA-N -1 0 344.436 3.775 20 0 EHADRM COc1cc(C(=O)NCC2(CC(=O)[O-])CCCCC2)ccc1Cl ZINC000573635861 974769143 /nfs/dbraw/zinc/76/91/43/974769143.db2.gz LYFSESWGCQZLIS-UHFFFAOYSA-N -1 0 339.819 3.504 20 0 EHADRM CCc1oc(C(=O)[O-])cc1C[N@H+](C)CCCOc1ccccc1C ZINC000578329441 974853074 /nfs/dbraw/zinc/85/30/74/974853074.db2.gz CXLKKNNNOKZECA-UHFFFAOYSA-N -1 0 331.412 3.750 20 0 EHADRM COc1ccc(NC(=O)c2cc(C)c(C)cc2Cl)c(C(=O)[O-])c1 ZINC000578466306 974855984 /nfs/dbraw/zinc/85/59/84/974855984.db2.gz YBYOFUBDIDBSRV-UHFFFAOYSA-N -1 0 333.771 3.916 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)Cc1csc(-c2ccc(F)cc2)n1 ZINC000580319333 974891717 /nfs/dbraw/zinc/89/17/17/974891717.db2.gz HLMDBVOCXBPRCS-HNNXBMFYSA-N -1 0 336.432 3.880 20 0 EHADRM Cc1nnc([C@@H](C)N2CCC(Cc3ccccc3C(=O)[O-])CC2)s1 ZINC000580963782 974902737 /nfs/dbraw/zinc/90/27/37/974902737.db2.gz AJARWMXPHFSWGE-GFCCVEGCSA-N -1 0 345.468 3.560 20 0 EHADRM Cc1nn(C(C)(C)C)cc1C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000582133906 974921354 /nfs/dbraw/zinc/92/13/54/974921354.db2.gz SVQALGSCDFZGFG-UHFFFAOYSA-N -1 0 329.400 3.514 20 0 EHADRM CC[C@@H](C(=O)NCC1(CC(=O)[O-])CCCCC1)c1ccc(F)cc1 ZINC000583180775 974936847 /nfs/dbraw/zinc/93/68/47/974936847.db2.gz FJABMGBKCBZXOM-MRXNPFEDSA-N -1 0 335.419 3.861 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@H](Cc1ccccc1)c1cccs1 ZINC000583763573 974945491 /nfs/dbraw/zinc/94/54/91/974945491.db2.gz CSSGUSVOIIIHPR-UKRRQHHQSA-N -1 0 331.437 3.649 20 0 EHADRM Cc1cc(C(=O)N(CCC(=O)[O-])Cc2ccccc2)c(C)n1C(C)C ZINC000590410883 974968144 /nfs/dbraw/zinc/96/81/44/974968144.db2.gz FJZRFVNXECDWRI-UHFFFAOYSA-N -1 0 342.439 3.803 20 0 EHADRM CC(C)[C@H](SCc1ccccc1)C(=O)NCc1ccoc1C(=O)[O-] ZINC000595245631 974993103 /nfs/dbraw/zinc/99/31/03/974993103.db2.gz PIVQLXMCXUFBRV-INIZCTEOSA-N -1 0 347.436 3.552 20 0 EHADRM CSCCc1ccccc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000600873306 975009265 /nfs/dbraw/zinc/00/92/65/975009265.db2.gz WNWFKGCFUFUZDF-UHFFFAOYSA-N -1 0 343.448 3.862 20 0 EHADRM CSC1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)CC1 ZINC000601962299 975012863 /nfs/dbraw/zinc/01/28/63/975012863.db2.gz CTFASDDZYFJVOX-UHFFFAOYSA-N -1 0 348.493 3.836 20 0 EHADRM CSc1cc(C)c(C(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)o1 ZINC000621589335 975046638 /nfs/dbraw/zinc/04/66/38/975046638.db2.gz TURPABVNSHIRDJ-KBPBESRZSA-N -1 0 345.420 3.740 20 0 EHADRM CC(C)CCOc1ccc(C(=O)N2CCCC[C@H]2CC(=O)[O-])cc1 ZINC000621619562 975063057 /nfs/dbraw/zinc/06/30/57/975063057.db2.gz RPNPOBAIJYAZPB-INIZCTEOSA-N -1 0 333.428 3.581 20 0 EHADRM CCC[C@@H](C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000630100284 975101341 /nfs/dbraw/zinc/10/13/41/975101341.db2.gz GIVZYWDISPFETD-CVEARBPZSA-N -1 0 349.858 3.937 20 0 EHADRM O=C([O-])c1cncc(C(=O)N(Cc2ccccc2)C2CCCCC2)c1 ZINC000630109122 975104666 /nfs/dbraw/zinc/10/46/66/975104666.db2.gz GMVVOXGAONALHX-UHFFFAOYSA-N -1 0 338.407 3.755 20 0 EHADRM CCc1ccc([C@H]2CCCCCN2C(=O)c2cncc(C(=O)[O-])c2)o1 ZINC000630121873 975110166 /nfs/dbraw/zinc/11/01/66/975110166.db2.gz UNRVMIAIXNIKIA-MRXNPFEDSA-N -1 0 342.395 3.693 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)[C@@H]1Cc2ccc(Cl)cc21)c1ccccc1 ZINC000630131110 975116432 /nfs/dbraw/zinc/11/64/32/975116432.db2.gz MCAVKBGTNHMOGW-JECHBYEQSA-N -1 0 343.810 3.558 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)cc1 ZINC000630143969 975127640 /nfs/dbraw/zinc/12/76/40/975127640.db2.gz VEJONHJFKFSSOA-FGTMMUONSA-N -1 0 335.403 3.573 20 0 EHADRM Cc1cc(C(=O)N[C@@H](C)c2ccccc2OC(C)C)oc1C(=O)[O-] ZINC000630150607 975130780 /nfs/dbraw/zinc/13/07/80/975130780.db2.gz WBUHRCVGOZDDRR-LBPRGKRZSA-N -1 0 331.368 3.564 20 0 EHADRM CC1(C)[C@H](C(=O)N2CCc3cccc(C(=O)[O-])c3C2)[C@H]1c1ccccc1 ZINC000630200444 975157758 /nfs/dbraw/zinc/15/77/58/975157758.db2.gz OKNZTMHXBHMFCV-MOPGFXCFSA-N -1 0 349.430 3.709 20 0 EHADRM CCCc1cc(C(=O)NCc2ccc(CC(=O)[O-])cc2)sc1C ZINC000630234820 975181449 /nfs/dbraw/zinc/18/14/49/975181449.db2.gz PINVRQJPMKRPTN-UHFFFAOYSA-N -1 0 331.437 3.566 20 0 EHADRM CC[C@H](CC(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1)C(C)(C)C ZINC000630240324 975184934 /nfs/dbraw/zinc/18/49/34/975184934.db2.gz BGBQYKUXLBNDSC-GFCCVEGCSA-N -1 0 335.419 3.871 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C2CC2)cc1F)C(=O)[O-] ZINC000630260249 975203932 /nfs/dbraw/zinc/20/39/32/975203932.db2.gz IHQCSSABWUQTQC-GLQYFDAESA-N -1 0 349.402 3.833 20 0 EHADRM CC[C@@H](C(=O)NC[C@H](C(=O)[O-])C1CCCCC1)c1ccc(OC)cc1 ZINC000630268108 975211889 /nfs/dbraw/zinc/21/18/89/975211889.db2.gz WCBFRMMGCSSAGP-MSOLQXFVSA-N -1 0 347.455 3.586 20 0 EHADRM CC[C@H](CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21)c1ccc(C)cc1 ZINC000630277367 975221808 /nfs/dbraw/zinc/22/18/08/975221808.db2.gz FXKITMZYTNBQCQ-OQIJWPOYSA-N -1 0 343.467 3.981 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N3CC[C@H](C(=O)[O-])[C@@H]4CCC[C@@H]43)cc2c1C ZINC000630279707 975224454 /nfs/dbraw/zinc/22/44/54/975224454.db2.gz KIOVBWFNLAPVAI-DEYYWGMASA-N -1 0 340.423 3.500 20 0 EHADRM CCc1ccc2occ(C(=O)N3CC[C@H](C(=O)[O-])[C@@H]4CCC[C@H]43)c2c1 ZINC000630285404 975229697 /nfs/dbraw/zinc/22/96/97/975229697.db2.gz RBBODSSZLDZOKD-GRDNDAEWSA-N -1 0 341.407 3.711 20 0 EHADRM C[C@@H]1CC[C@@H](CCC(=O)Nc2ccc(C(=O)[O-])c3ccccc23)O1 ZINC000630285964 975230525 /nfs/dbraw/zinc/23/05/25/975230525.db2.gz FYDGYVBBOPCQKK-OLZOCXBDSA-N -1 0 327.380 3.824 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000630286185 975230868 /nfs/dbraw/zinc/23/08/68/975230868.db2.gz VEFSURRQWWLZLF-UJWQCDCRSA-N -1 0 341.451 3.672 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N2CCC(c3cccc(Cl)c3)CC2)C1 ZINC000630296379 975235796 /nfs/dbraw/zinc/23/57/96/975235796.db2.gz BQZFKFBKDDEQKN-HOTGVXAUSA-N -1 0 349.858 3.937 20 0 EHADRM COc1ccc(N(CC2CC2)C(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000630318738 975250252 /nfs/dbraw/zinc/25/02/52/975250252.db2.gz YMNUPQWOFGZMHZ-UHFFFAOYSA-N -1 0 331.393 3.512 20 0 EHADRM O=C([O-])C12CCC(CC1)N2C(=O)Cc1cc(Cl)cc2ccccc21 ZINC000630321332 975251669 /nfs/dbraw/zinc/25/16/69/975251669.db2.gz FHLBMWIIWOOVBF-UHFFFAOYSA-N -1 0 343.810 3.644 20 0 EHADRM O=C([O-])C12CCC(CC1)N2C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000630324952 975253002 /nfs/dbraw/zinc/25/30/02/975253002.db2.gz MOXUIFKXAAEMPC-UHFFFAOYSA-N -1 0 345.395 3.776 20 0 EHADRM O=C([O-])C12CCC(CC1)N2C(=O)c1cccc(Oc2ccccc2)c1 ZINC000630326783 975254428 /nfs/dbraw/zinc/25/44/28/975254428.db2.gz ZQSPIAOSYKXJAD-UHFFFAOYSA-N -1 0 337.375 3.701 20 0 EHADRM Cc1ccc(SCC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)cc1 ZINC000630327721 975254744 /nfs/dbraw/zinc/25/47/44/975254744.db2.gz STKHXYKNUMOUMB-DLBZAZTESA-N -1 0 341.432 3.914 20 0 EHADRM CCCCCc1cc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)n[nH]1 ZINC000630328451 975256226 /nfs/dbraw/zinc/25/62/26/975256226.db2.gz BIFRIDXOAQVLKH-JKSUJKDBSA-N -1 0 341.411 3.583 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)C[C@@H]2CCc3ccccc32)cc1 ZINC000630329368 975257446 /nfs/dbraw/zinc/25/74/46/975257446.db2.gz XXQNSWMCSOCQPQ-ZYSHUDEJSA-N -1 0 335.403 3.933 20 0 EHADRM Cc1nc(CCCC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)cs1 ZINC000630330862 975258993 /nfs/dbraw/zinc/25/89/93/975258993.db2.gz SCKGBVJNPGUIGZ-JKSUJKDBSA-N -1 0 344.436 3.601 20 0 EHADRM Cc1cc(CNC(=O)CCc2ccc(C(C)C)cc2)oc1C(=O)[O-] ZINC000630332760 975261520 /nfs/dbraw/zinc/26/15/20/975261520.db2.gz GZKGFNZLMAPLPF-UHFFFAOYSA-N -1 0 329.396 3.659 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cccc(C(F)F)c2Cl)CC[C@H]1C(=O)[O-] ZINC000630566434 975267987 /nfs/dbraw/zinc/26/79/87/975267987.db2.gz VXEFRTZVIWICSQ-DTWKUNHWSA-N -1 0 346.761 3.852 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C2CC(c3ccc(F)cc3)C2)c2ccccc21 ZINC000634803974 975276976 /nfs/dbraw/zinc/27/69/76/975276976.db2.gz RETFSKNUHGFAPB-MQBCKMQZSA-N -1 0 339.366 3.534 20 0 EHADRM C[C@H](NCc1cccc(OC(F)(F)F)c1)c1ncc(C(=O)[O-])s1 ZINC000647650075 975372492 /nfs/dbraw/zinc/37/24/92/975372492.db2.gz HPATVCJEYVNZHV-QMMMGPOBSA-N -1 0 346.330 3.591 20 0 EHADRM CC[C@@H](CNC(=O)CCCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000649261755 975404216 /nfs/dbraw/zinc/40/42/16/975404216.db2.gz PXHFXIOUWKTFDU-NSHDSACASA-N -1 0 332.227 3.543 20 0 EHADRM CC[C@@H](CNC(=O)c1sc2cccc(C)c2c1Cl)C(=O)[O-] ZINC000649264088 975405268 /nfs/dbraw/zinc/40/52/68/975405268.db2.gz RMPHRHYCXUVKEM-VIFPVBQESA-N -1 0 325.817 3.704 20 0 EHADRM CCCn1c(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc2ccccc21 ZINC000649364147 975408470 /nfs/dbraw/zinc/40/84/70/975408470.db2.gz MOLRVFLDNRBUQC-OAHLLOKOSA-N -1 0 342.439 3.768 20 0 EHADRM Cc1sc(N2CCc3[nH]c4ccc(C)cc4c3C2)nc1C(=O)[O-] ZINC000649386276 975410697 /nfs/dbraw/zinc/41/06/97/975410697.db2.gz JWMXDXNEUGSQKG-UHFFFAOYSA-N -1 0 327.409 3.502 20 0 EHADRM CCCc1ccccc1NC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000649537549 975423307 /nfs/dbraw/zinc/42/33/07/975423307.db2.gz JWVZARUZQVDVIZ-HXUWFJFHSA-N -1 0 340.423 3.803 20 0 EHADRM CC(C)Nc1nnc(S[C@@H](C(=O)[O-])c2ccc(Cl)cc2)s1 ZINC001591672056 975432597 /nfs/dbraw/zinc/43/25/97/975432597.db2.gz JZFBCWZICVLNJY-SNVBAGLBSA-N -1 0 343.861 3.930 20 0 EHADRM CC(C)O[C@H](C(=O)N[C@H](CC1CCCCC1)C(=O)[O-])c1ccccc1 ZINC001591687315 975501702 /nfs/dbraw/zinc/50/17/02/975501702.db2.gz ZLIXTHVWVZZNLA-MSOLQXFVSA-N -1 0 347.455 3.693 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CN1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000652401460 975522889 /nfs/dbraw/zinc/52/28/89/975522889.db2.gz GNOSEEPCHRVREH-MLGOLLRUSA-N -1 0 331.437 3.717 20 0 EHADRM CC(C)CO[C@@H]1CCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000652441081 975535287 /nfs/dbraw/zinc/53/52/87/975535287.db2.gz NNARMWZRSJNKAK-CABCVRRESA-N -1 0 346.254 3.866 20 0 EHADRM Cc1ccc(CCCC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000653332815 975591567 /nfs/dbraw/zinc/59/15/67/975591567.db2.gz IKYMLOHDKJNUCN-MOPGFXCFSA-N -1 0 337.419 3.747 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)Nc2cccc(OC3CCCC3)c2)c1 ZINC000653637991 975603029 /nfs/dbraw/zinc/60/30/29/975603029.db2.gz RKZFTOANALTLRR-UHFFFAOYSA-N -1 0 339.391 3.887 20 0 EHADRM C[C@]1(c2ccccc2)CCCN(C(=O)c2cccc(CC(=O)[O-])c2)C1 ZINC000653640889 975607359 /nfs/dbraw/zinc/60/73/59/975607359.db2.gz SPWBSKYHTYCNAU-NRFANRHFSA-N -1 0 337.419 3.508 20 0 EHADRM CC[C@H](Cc1ccccc1)N(CC)C(=O)c1cccc(CC(=O)[O-])c1 ZINC000653642889 975610976 /nfs/dbraw/zinc/61/09/76/975610976.db2.gz BAAFXRQDODJZPJ-LJQANCHMSA-N -1 0 339.435 3.797 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)NCCc1ccc(-c2ccccc2)cc1 ZINC000656238943 975653013 /nfs/dbraw/zinc/65/30/13/975653013.db2.gz NWPVPNFINUBTRN-HNNXBMFYSA-N -1 0 325.408 3.513 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1cccc(C(C)(C)C)c1 ZINC000656244431 975654735 /nfs/dbraw/zinc/65/47/35/975654735.db2.gz XTSBEUYOPAACSM-UHFFFAOYSA-N -1 0 327.380 3.943 20 0 EHADRM CCN(CC)C(=O)N(C)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000656524776 975661989 /nfs/dbraw/zinc/66/19/89/975661989.db2.gz NPXTWZAJPZOKJY-LBPRGKRZSA-N -1 0 333.215 3.513 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)[C@H]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000659138343 975738161 /nfs/dbraw/zinc/73/81/61/975738161.db2.gz VQFFRGLQHUFUFO-MJGOQNOKSA-N -1 0 337.419 3.911 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1cc(C(=O)[O-])oc1C ZINC000659140408 975740289 /nfs/dbraw/zinc/74/02/89/975740289.db2.gz NIDJHYKFDWMCMQ-HNNXBMFYSA-N -1 0 329.396 3.688 20 0 EHADRM Cc1ccc([C@@H]2C[C@H]2C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1C ZINC000659143919 975742991 /nfs/dbraw/zinc/74/29/91/975742991.db2.gz QGPNAIMUZYFPLT-XUVXKRRUSA-N -1 0 349.430 3.618 20 0 EHADRM CC1(C)C[C@@]1(C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000659144837 975744324 /nfs/dbraw/zinc/74/43/24/975744324.db2.gz ZTPGDIXJBQPTQN-AVRDEDQJSA-N -1 0 349.430 3.565 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)C2CC3(C2)CCCCC3)[C@@H]2CCCC[C@H]12 ZINC000659192390 975790994 /nfs/dbraw/zinc/79/09/94/975790994.db2.gz NJCVWBXDSBJTGO-BRWVUGGUSA-N -1 0 333.472 3.839 20 0 EHADRM CC[C@@H](CC1CCCCC1)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659203774 975811678 /nfs/dbraw/zinc/81/16/78/975811678.db2.gz IIBXVHGOGOSNGK-AWEZNQCLSA-N -1 0 335.448 3.638 20 0 EHADRM O=C([O-])C[C@H](CNC(=O)c1ccccc1Cc1ccccc1)C1CC1 ZINC000659204629 975812587 /nfs/dbraw/zinc/81/25/87/975812587.db2.gz ODUIEMSBIGUTNK-GOSISDBHSA-N -1 0 337.419 3.508 20 0 EHADRM O=C([O-])C[C@H](CNC(=O)c1cc2c(ccc3ccccc23)[nH]1)C1CC1 ZINC000659207494 975817229 /nfs/dbraw/zinc/81/72/29/975817229.db2.gz BPDMHQWJLANNRI-CQSZACIVSA-N -1 0 336.391 3.552 20 0 EHADRM CC(C)Oc1ccc(-c2noc([C@@H]3CCC[C@@H](C(=O)[O-])C3)n2)cc1 ZINC001591757241 975832818 /nfs/dbraw/zinc/83/28/18/975832818.db2.gz YYKGLFJNETUYCO-ZIAGYGMSSA-N -1 0 330.384 3.882 20 0 EHADRM CC(C)Oc1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC001591761003 975845462 /nfs/dbraw/zinc/84/54/62/975845462.db2.gz GPICOLMMTLGABQ-UHFFFAOYSA-N -1 0 347.798 3.755 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](F)c1ccccc1 ZINC001591761416 975850621 /nfs/dbraw/zinc/85/06/21/975850621.db2.gz KTSXJSPPRLLHRE-INIZCTEOSA-N -1 0 331.343 3.821 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CCC[C@@H](C)[C@H]1C ZINC001591763208 975865492 /nfs/dbraw/zinc/86/54/92/975865492.db2.gz JDGGQYILXUAUOS-CHWSQXEVSA-N -1 0 334.416 3.824 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2ncsc2-c2ccccc2)CC1 ZINC000659774460 975871231 /nfs/dbraw/zinc/87/12/31/975871231.db2.gz KLUUEPLOXXSACW-UHFFFAOYSA-N -1 0 344.436 3.527 20 0 EHADRM CC[C@@H](OCCN1Cc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000659790544 975877484 /nfs/dbraw/zinc/87/74/84/975877484.db2.gz HOIGKXQBMFQGJM-LJQANCHMSA-N -1 0 325.408 3.868 20 0 EHADRM CC(C)Oc1ccc(C(=O)OCc2c(Cl)cccc2C(=O)[O-])nc1 ZINC001591772675 975906448 /nfs/dbraw/zinc/90/64/48/975906448.db2.gz HVTNJXFPYNFOOH-UHFFFAOYSA-N -1 0 349.770 3.577 20 0 EHADRM CC(C)CCc1ccccc1NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC000663115542 975924782 /nfs/dbraw/zinc/92/47/82/975924782.db2.gz MAFMYRQABBCZQI-UHFFFAOYSA-N -1 0 341.407 3.991 20 0 EHADRM CC(C)Oc1ccc(Cl)cc1C(=O)OCc1ccc(C(=O)[O-])o1 ZINC001591777886 975932671 /nfs/dbraw/zinc/93/26/71/975932671.db2.gz AASYWRSPDLAUAB-UHFFFAOYSA-N -1 0 338.743 3.775 20 0 EHADRM CCOc1ccc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)cc1OCC ZINC000666361766 975960119 /nfs/dbraw/zinc/96/01/19/975960119.db2.gz QWBWTQVKUQKJLB-UHFFFAOYSA-N -1 0 343.379 3.743 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000666361658 975960144 /nfs/dbraw/zinc/96/01/44/975960144.db2.gz NENMFSSBVUEGCH-KGLIPLIRSA-N -1 0 349.477 3.951 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N[C@@H](CC(=O)[O-])C2CC2)c(Cl)c1 ZINC001591786821 975961429 /nfs/dbraw/zinc/96/14/29/975961429.db2.gz UAMMWPVKRVLRLV-AWEZNQCLSA-N -1 0 340.807 3.502 20 0 EHADRM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCCCC(=O)[O-] ZINC000666558524 975971815 /nfs/dbraw/zinc/97/18/15/975971815.db2.gz QEUBZCMYVHJBSS-DLBZAZTESA-N -1 0 332.444 3.609 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000668277849 975983143 /nfs/dbraw/zinc/98/31/43/975983143.db2.gz RVMTUWYLZNNSFB-LLVKDONJSA-N -1 0 345.361 3.852 20 0 EHADRM CC(C)Oc1cccc(/C=C2/C(=O)Nc3cc(F)c(C(=O)[O-])cc32)c1 ZINC001591792032 975992610 /nfs/dbraw/zinc/99/26/10/975992610.db2.gz ADKFDTCUEHKNBW-VGOFMYFVSA-N -1 0 341.338 3.804 20 0 EHADRM CC(C)Oc1cccc(CN(C)Cc2ccc(C(=O)[O-])cc2F)c1 ZINC001591792262 975996710 /nfs/dbraw/zinc/99/67/10/975996710.db2.gz RPKVZXGYABOWHP-UHFFFAOYSA-N -1 0 331.387 3.943 20 0 EHADRM CN(C(=O)c1cccc(C(=O)[O-])c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000668324055 975999380 /nfs/dbraw/zinc/99/93/80/975999380.db2.gz MJFPBZWGROYHTD-BETUJISGSA-N -1 0 329.318 3.578 20 0 EHADRM O=C([O-])[C@@H](CC(F)F)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000669475749 976006925 /nfs/dbraw/zinc/00/69/25/976006925.db2.gz UYUVAHJVUQJESA-GFCCVEGCSA-N -1 0 329.730 3.798 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2c(C)oc(C)c2C)cc1 ZINC000671666994 976011529 /nfs/dbraw/zinc/01/15/29/976011529.db2.gz PVOOWVSNRDNJFO-OAHLLOKOSA-N -1 0 347.436 3.873 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)C[C@@H](C)C2CCCCC2)cc1 ZINC000675947254 976017418 /nfs/dbraw/zinc/01/74/18/976017418.db2.gz WEXQNYKELNBFRC-RDTXWAMCSA-N -1 0 347.455 3.934 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)c2sc3cccc(Cl)c3c2Cl)C1 ZINC000676215121 976028797 /nfs/dbraw/zinc/02/87/97/976028797.db2.gz YPJBQRQAOVNOLE-ZETCQYMHSA-N -1 0 344.219 3.755 20 0 EHADRM CCC(CC)(CNC(=O)c1cccc(Oc2nccs2)c1)C(=O)[O-] ZINC000678991044 976036142 /nfs/dbraw/zinc/03/61/42/976036142.db2.gz OPPORGZMBQQDML-UHFFFAOYSA-N -1 0 348.424 3.556 20 0 EHADRM O=C([O-])c1cccc(C(=O)NCc2ccc(OC3CCCC3)cc2)c1 ZINC000678991156 976036586 /nfs/dbraw/zinc/03/65/86/976036586.db2.gz SWQZIYPLWSEIMK-UHFFFAOYSA-N -1 0 339.391 3.636 20 0 EHADRM Cc1nc(-c2ccccc2)sc1C(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000679401247 976051271 /nfs/dbraw/zinc/05/12/71/976051271.db2.gz WQIIJLHGYQNWBN-CQSZACIVSA-N -1 0 344.436 3.588 20 0 EHADRM CC[C@H](C)c1ccc([C@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C(C)C)cc1 ZINC000682521745 976073458 /nfs/dbraw/zinc/07/34/58/976073458.db2.gz PNXFPISFGMLQPT-HNONPPJISA-N -1 0 347.455 3.646 20 0 EHADRM CC(C)c1c(NC(=O)c2ccccc2C(=O)[O-])cnn1-c1ccccc1 ZINC001591923336 976400996 /nfs/dbraw/zinc/40/09/96/976400996.db2.gz MWDNMZLEYOHOHB-UHFFFAOYSA-N -1 0 349.390 3.946 20 0 EHADRM CC(C)c1ccc(C2(C(=O)NCCCC(=O)[O-])CCCCC2)cc1 ZINC001591948334 976499102 /nfs/dbraw/zinc/49/91/02/976499102.db2.gz FLULCIRYQASMGT-UHFFFAOYSA-N -1 0 331.456 3.993 20 0 EHADRM CC(C)c1ccc(OCCC(=O)N[C@H](CC(C)(C)C)C(=O)[O-])cc1 ZINC001591973946 976582336 /nfs/dbraw/zinc/58/23/36/976582336.db2.gz LCIGLMAMZGYUBL-MRXNPFEDSA-N -1 0 335.444 3.585 20 0 EHADRM CC(C)c1ccc(OC2CCN(c3cc(C(=O)[O-])ccn3)CC2)cc1 ZINC001591973924 976582821 /nfs/dbraw/zinc/58/28/21/976582821.db2.gz JVLYDGHXKSFQPR-UHFFFAOYSA-N -1 0 340.423 3.951 20 0 EHADRM CC(C)c1ccc2occ(C(=O)N3C[C@H](C)[C@@](C)(C(=O)[O-])C3)c2c1 ZINC001591980239 976592692 /nfs/dbraw/zinc/59/26/92/976592692.db2.gz DXCXWKGUINGPDM-BUXKBTBVSA-N -1 0 329.396 3.739 20 0 EHADRM CC(C)c1cnc(CN[C@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)o1 ZINC001592002687 976652870 /nfs/dbraw/zinc/65/28/70/976652870.db2.gz BYPVRMJNYHWDAT-BFUOFWGJSA-N -1 0 328.412 3.765 20 0 EHADRM CC(C)c1ncsc1NC(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC001592042879 976772812 /nfs/dbraw/zinc/77/28/12/976772812.db2.gz XOVCJOQNBNVSHV-BXUZGUMPSA-N -1 0 347.440 3.850 20 0 EHADRM CC(C)c1sc(NC(=O)c2coc3cc(O)ccc32)nc1C(=O)[O-] ZINC001592115258 976913424 /nfs/dbraw/zinc/91/34/24/976913424.db2.gz XZCSYUVDEFGSOZ-UHFFFAOYSA-N -1 0 346.364 3.669 20 0 EHADRM CC(C)c1scnc1C(=O)OCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001592117098 976918594 /nfs/dbraw/zinc/91/85/94/976918594.db2.gz LXKLGCNNVHBYLJ-UHFFFAOYSA-N -1 0 339.800 3.975 20 0 EHADRM CC(C)n1ccc(CSCCOc2ccc(/C=C\C(=O)[O-])cc2)n1 ZINC001592138109 976983695 /nfs/dbraw/zinc/98/36/95/976983695.db2.gz OGEZZZYEPGJPIH-YVMONPNESA-N -1 0 346.452 3.874 20 0 EHADRM CC(C)n1ncc2cc(NC(=O)CC3(CC(=O)[O-])CCCC3)ccc21 ZINC001592163338 977052183 /nfs/dbraw/zinc/05/21/83/977052183.db2.gz YRIZBWUDDKHQSI-UHFFFAOYSA-N -1 0 343.427 3.981 20 0 EHADRM C[C@@H](/C=C\C(=O)[O-])NC(=O)c1c(F)cccc1Sc1ccccc1 ZINC001592201848 977209741 /nfs/dbraw/zinc/20/97/41/977209741.db2.gz QQJSNVLVGGSAFB-WEHUKYGOSA-N -1 0 345.395 3.736 20 0 EHADRM C[C@H](/C=C/C(=O)[O-])NC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC001592205028 977236620 /nfs/dbraw/zinc/23/66/20/977236620.db2.gz NQXHWMSBDGVXDT-UCYCBVHCSA-N -1 0 335.469 3.658 20 0 EHADRM C[C@H](CC(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1)CC(C)(C)C ZINC001592236754 977445240 /nfs/dbraw/zinc/44/52/40/977445240.db2.gz RUMMALXKBRLGJL-GFCCVEGCSA-N -1 0 335.419 3.871 20 0 EHADRM C[C@H](CC(=O)NC[C@H](C(=O)[O-])C1CCCCC1)c1cccc(F)c1 ZINC001592245994 977472771 /nfs/dbraw/zinc/47/27/71/977472771.db2.gz MYKQKWNMRYRLSK-DYVFJYSZSA-N -1 0 335.419 3.717 20 0 EHADRM C[C@@H](CC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)Cc1ccc(Cl)cc1 ZINC001592261494 977503120 /nfs/dbraw/zinc/50/31/20/977503120.db2.gz DDIYZAFNLIGPBF-RYECPLHJSA-N -1 0 349.858 3.524 20 0 EHADRM C[C@@H](CC(=O)Nc1cccc(Cl)c1)Nc1cccc(C(=O)[O-])c1 ZINC001592272994 977542532 /nfs/dbraw/zinc/54/25/32/977542532.db2.gz APLQHHDXMHOORW-NSHDSACASA-N -1 0 332.787 3.867 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000654794795 1014408021 /nfs/dbraw/zinc/40/80/21/1014408021.db2.gz FZUZKKRHIMYNKV-HOTGVXAUSA-N -1 0 340.423 3.741 20 0 EHADRM Nc1ccccc1-c1ccn(-c2ccc(C(=O)[O-])c(C(F)(F)F)c2)n1 ZINC001211489782 1014434461 /nfs/dbraw/zinc/43/44/61/1014434461.db2.gz HYBLRMTWUXATFJ-UHFFFAOYSA-N -1 0 347.296 3.839 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCC(C)(c2ccc(Cl)cc2)CC1 ZINC001592371548 977894731 /nfs/dbraw/zinc/89/47/31/977894731.db2.gz UKNXSQFHIKGSFE-CYBMUJFWSA-N -1 0 337.847 3.721 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc(CNc2ccccc2)cc1 ZINC001592394508 977945144 /nfs/dbraw/zinc/94/51/44/977945144.db2.gz JIELTUZIJGVOII-CQSZACIVSA-N -1 0 326.396 3.738 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1nc(-c2c(F)cccc2F)cs1 ZINC001592395457 977954046 /nfs/dbraw/zinc/95/40/46/977954046.db2.gz KWDJAKMQUHQUSJ-QMMMGPOBSA-N -1 0 340.351 3.528 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)OCc1ncc(-c2ccc(Cl)cc2)o1 ZINC001592403541 977974927 /nfs/dbraw/zinc/97/49/27/977974927.db2.gz ZNZZXXJIHKFNSK-JTQLQIEISA-N -1 0 337.759 3.539 20 0 EHADRM C[C@H](CC(=O)OCc1ccc(C(=O)[O-])c(Cl)c1)c1ccc(N)cc1 ZINC001592433611 978068025 /nfs/dbraw/zinc/06/80/25/978068025.db2.gz MFMNVXXRMNJZAL-LLVKDONJSA-N -1 0 347.798 3.857 20 0 EHADRM C[C@H](CC(C)(C)C)C(=O)N1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001592440311 978096903 /nfs/dbraw/zinc/09/69/03/978096903.db2.gz YEIOJUVPIUGVMT-VXGBXAGGSA-N -1 0 338.473 3.620 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1ccsc1CC(=O)[O-] ZINC001592451343 978135712 /nfs/dbraw/zinc/13/57/12/978135712.db2.gz BBKSZPHXHCDIKZ-ZDUSSCGKSA-N -1 0 345.464 3.861 20 0 EHADRM C[C@@H](CCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-])c1ccccc1 ZINC001592470348 978220427 /nfs/dbraw/zinc/22/04/27/978220427.db2.gz KDQPRTXCFBFXNU-KSSFIOAISA-N -1 0 343.398 3.522 20 0 EHADRM C[C@H](CCC(C)(C)C)NC(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC001592478610 978252784 /nfs/dbraw/zinc/25/27/84/978252784.db2.gz UZKVPPUWSLZGCB-GFCCVEGCSA-N -1 0 347.459 3.671 20 0 EHADRM COc1cc(CO)ccc1Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001211490277 1014473355 /nfs/dbraw/zinc/47/33/55/1014473355.db2.gz SJLQGTLPNGIISQ-UHFFFAOYSA-N -1 0 341.285 3.648 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001592491802 978284724 /nfs/dbraw/zinc/28/47/24/978284724.db2.gz MZGLVQZAJNYDMX-AWEZNQCLSA-N -1 0 343.398 3.799 20 0 EHADRM C[C@@H](CS[C@H](C)C(=O)Nc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000736620096 978345845 /nfs/dbraw/zinc/34/58/45/978345845.db2.gz WPDZJXUETCHMML-JGVFFNPUSA-N -1 0 336.240 3.774 20 0 EHADRM C[C@@H](CCNC(=O)NCc1ccc(CC(=O)[O-])cc1)CC(C)(C)C ZINC001592519599 978363900 /nfs/dbraw/zinc/36/39/00/978363900.db2.gz AJSCUBPXOAROMJ-AWEZNQCLSA-N -1 0 334.460 3.575 20 0 EHADRM C[C@@H](CCc1ccc(F)cc1)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC001592537601 978412805 /nfs/dbraw/zinc/41/28/05/978412805.db2.gz OEEAXYQZYVMHNN-IKICRFKJSA-N -1 0 347.430 3.639 20 0 EHADRM C[C@@H](CCc1ccco1)NC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001592552380 978439629 /nfs/dbraw/zinc/43/96/29/978439629.db2.gz XRZMVNLBQPITCT-NSHDSACASA-N -1 0 341.367 3.602 20 0 EHADRM Cc1cc(C(=O)[O-])c2sc(NC(=O)[C@H](C)c3cccs3)nc2n1 ZINC000738342076 978522019 /nfs/dbraw/zinc/52/20/19/978522019.db2.gz JRXXQUQENIQEDN-MRVPVSSYSA-N -1 0 347.421 3.502 20 0 EHADRM C[C@@H](CN(Cc1nccn1-c1ccccc1)Cc1ccccc1)C(=O)[O-] ZINC001592605605 978552628 /nfs/dbraw/zinc/55/26/28/978552628.db2.gz ZCSBJTDFSBJJCY-KRWDZBQOSA-N -1 0 349.434 3.595 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000738832630 978604637 /nfs/dbraw/zinc/60/46/37/978604637.db2.gz SAXGBZRYIYHYPP-UHFFFAOYSA-N -1 0 337.335 3.992 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCC[C@@H]2Cc2ccccc2)c(F)c1 ZINC000740147604 978670791 /nfs/dbraw/zinc/67/07/91/978670791.db2.gz MOPGHMVISQSWPC-OAHLLOKOSA-N -1 0 342.370 3.763 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000762182148 978717916 /nfs/dbraw/zinc/71/79/16/978717916.db2.gz DARDOCHYZBZPDN-KGLIPLIRSA-N -1 0 343.398 3.906 20 0 EHADRM Cc1cc(/C=C\C(=O)NCCCCC(=O)[O-])c(C)n1C1CCCCC1 ZINC000767138825 978736071 /nfs/dbraw/zinc/73/60/71/978736071.db2.gz YFVSYAIDULWTIV-QXMHVHEDSA-N -1 0 346.471 3.994 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000767200984 978736517 /nfs/dbraw/zinc/73/65/17/978736517.db2.gz QDVNVSQGMZJLLP-MRXNPFEDSA-N -1 0 329.371 3.977 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)Nc1ccc2scnc2c1 ZINC000777359655 978775668 /nfs/dbraw/zinc/77/56/68/978775668.db2.gz DXDAETUGOLOSND-UHFFFAOYSA-N -1 0 326.377 3.566 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000777381532 978778652 /nfs/dbraw/zinc/77/86/52/978778652.db2.gz YEIPFLKXBAOZOJ-NTCAYCPXSA-N -1 0 345.439 3.640 20 0 EHADRM COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000788090958 978796750 /nfs/dbraw/zinc/79/67/50/978796750.db2.gz WZJYJYILOPUISI-JKSUJKDBSA-N -1 0 339.391 3.752 20 0 EHADRM Cc1cccc(OC[C@H](C)NC(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000811820444 978864981 /nfs/dbraw/zinc/86/49/81/978864981.db2.gz XZDVRGFJTPUDGN-LBPRGKRZSA-N -1 0 347.798 3.544 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H](CC2CCCC2)c2ccccc2)C1 ZINC000826549206 978946749 /nfs/dbraw/zinc/94/67/49/978946749.db2.gz BEBZKIPRNKFBKX-RCCFBDPRSA-N -1 0 329.440 3.925 20 0 EHADRM C[C@@H](CCOCc1ccccc1)NC(=O)c1ccc(Cl)c([O-])c1 ZINC001625784451 1014545022 /nfs/dbraw/zinc/54/50/22/1014545022.db2.gz SKRBETPZSGMJHV-ZDUSSCGKSA-N -1 0 333.815 3.771 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)O[C@@H](C)c1nc(C(=O)[O-])co1 ZINC001595016061 979068669 /nfs/dbraw/zinc/06/86/69/979068669.db2.gz QMXCKBXFFSLHKX-RYUDHWBXSA-N -1 0 347.367 3.570 20 0 EHADRM CC[C@@H](C)n1nc(C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)cc1C ZINC001595021662 979097987 /nfs/dbraw/zinc/09/79/87/979097987.db2.gz BQSAFRMAEXHLRT-ZYHUDNBSSA-N -1 0 334.372 3.680 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(Cl)cc1-c1ccccc1)C(=O)[O-] ZINC001592683319 979111322 /nfs/dbraw/zinc/11/13/22/979111322.db2.gz XMIKZQJLFARHEZ-NSHDSACASA-N -1 0 332.787 3.849 20 0 EHADRM CC[C@@H](C)n1ncc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c1C1CC1 ZINC001595027624 979146508 /nfs/dbraw/zinc/14/65/08/979146508.db2.gz ZMZVDNPWFMIBAN-MRVWCRGKSA-N -1 0 333.432 3.561 20 0 EHADRM CC[C@H](C)n1nccc1C(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1 ZINC001595029064 979155680 /nfs/dbraw/zinc/15/56/80/979155680.db2.gz TZDWIRZQHSAOAT-HOCLYGCPSA-N -1 0 349.475 3.788 20 0 EHADRM CC[C@H](CC(=O)Nc1cnc(C)c(C(=O)[O-])c1)c1ccc(C)cc1 ZINC001595037239 979205292 /nfs/dbraw/zinc/20/52/92/979205292.db2.gz VAAQHSGSDYOINF-CQSZACIVSA-N -1 0 326.396 3.919 20 0 EHADRM CC[C@H](CC(F)(F)F)C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC001595040107 979220092 /nfs/dbraw/zinc/22/00/92/979220092.db2.gz ZCJLHKLFBMEMHP-GXTWGEPZSA-N -1 0 345.361 3.715 20 0 EHADRM CC[C@H](CC(F)F)C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC001595042657 979237170 /nfs/dbraw/zinc/23/71/70/979237170.db2.gz QTBDLWSDAJRLEN-BXKDBHETSA-N -1 0 333.762 3.653 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCC(F)(F)F)ccc1N1CCCCC1 ZINC000841502483 979305203 /nfs/dbraw/zinc/30/52/03/979305203.db2.gz GOWOSYBMPUXZRH-UHFFFAOYSA-N -1 0 344.333 3.656 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1ccc(SC(F)F)cc1 ZINC000841831130 979315230 /nfs/dbraw/zinc/31/52/30/979315230.db2.gz CEWWYFYTPMLKBX-UHFFFAOYSA-N -1 0 332.372 3.768 20 0 EHADRM CCC(CC)(CCO)NC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001595060350 979316522 /nfs/dbraw/zinc/31/65/22/979316522.db2.gz PTUPDAVUNFNFJJ-UHFFFAOYSA-N -1 0 344.411 3.601 20 0 EHADRM O=C([O-])[C@@H]1CCN(Cc2cc(Cl)nc(Cl)c2)c2ccccc21 ZINC000842469873 979317358 /nfs/dbraw/zinc/31/73/58/979317358.db2.gz PHMFWJIWQWISDE-GFCCVEGCSA-N -1 0 337.206 3.967 20 0 EHADRM CCC(CC)(CNC(=O)c1ccc(-c2cccc(C)c2)n1C)C(=O)[O-] ZINC001595075181 979349089 /nfs/dbraw/zinc/34/90/89/979349089.db2.gz PCFVBEZGZYEWNR-UHFFFAOYSA-N -1 0 342.439 3.621 20 0 EHADRM C[C@@H](COC(=O)C12CCC(C(=O)[O-])(CC1)CC2)OCc1ccccc1 ZINC001592765212 979368973 /nfs/dbraw/zinc/36/89/73/979368973.db2.gz PNWLXRYBRWMYFI-VMEOHVCESA-N -1 0 346.423 3.560 20 0 EHADRM CCC(CC)(CNc1ncnc2sc3c(c21)CCCC3)C(=O)[O-] ZINC001595084172 979373353 /nfs/dbraw/zinc/37/33/53/979373353.db2.gz GXMLWCLTCWGGNS-UHFFFAOYSA-N -1 0 333.457 3.873 20 0 EHADRM CCC(CC)(NC(=O)/C=C/c1ccc(F)c2ccccc12)C(=O)[O-] ZINC001595090682 979382704 /nfs/dbraw/zinc/38/27/04/979382704.db2.gz LKELFKSABZIILJ-ZRDIBKRKSA-N -1 0 329.371 3.752 20 0 EHADRM CCC(CC)(NC(=O)CSc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001595093365 979391303 /nfs/dbraw/zinc/39/13/03/979391303.db2.gz SPTATJJGHXWHTR-UHFFFAOYSA-N -1 0 337.485 3.836 20 0 EHADRM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)/C=C\C1CCCC1 ZINC000846116628 979405951 /nfs/dbraw/zinc/40/59/51/979405951.db2.gz VWABLXLMNRZFLR-VURMDHGXSA-N -1 0 337.366 3.515 20 0 EHADRM CC1(C)Cc2cccc(C(=O)Nc3cccc(CCC(=O)[O-])c3)c2O1 ZINC000848875460 979479304 /nfs/dbraw/zinc/47/93/04/979479304.db2.gz HACWYSJYBPREFZ-UHFFFAOYSA-N -1 0 339.391 3.670 20 0 EHADRM CCC(CC)c1cc(CNCc2[nH]cc(C(=O)[O-])c2C2CC2)on1 ZINC001595121896 979498503 /nfs/dbraw/zinc/49/85/03/979498503.db2.gz ZEIOQDSNXUNRPH-UHFFFAOYSA-N -1 0 331.416 3.772 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)N[C@@](C)(CC(=O)[O-])c1cccnc1 ZINC001595125671 979509593 /nfs/dbraw/zinc/50/95/93/979509593.db2.gz FUGXHORMAMHXHH-UZLBHIALSA-N -1 0 346.471 3.884 20 0 EHADRM CC[C@@H](CCC(F)(F)F)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC001595125783 979511443 /nfs/dbraw/zinc/51/14/43/979511443.db2.gz JEAXAYZZHHVICU-JTQLQIEISA-N -1 0 335.322 3.935 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC001595126047 979513792 /nfs/dbraw/zinc/51/37/92/979513792.db2.gz IIEQGWRLHLAOPI-MRXNPFEDSA-N -1 0 348.374 3.674 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(/C=C\C(=O)[O-])o2)[C@H](c2ccco2)C1 ZINC000851597450 979514282 /nfs/dbraw/zinc/51/42/82/979514282.db2.gz YFUJMHDSIVMCGH-QZWGFMDZSA-N -1 0 329.352 3.584 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851601472 979521800 /nfs/dbraw/zinc/52/18/00/979521800.db2.gz LEUPKQIBILUMCU-YFHOEESVSA-N -1 0 343.379 3.936 20 0 EHADRM C[C@@H](CSC(F)(F)F)C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC001592824149 979536063 /nfs/dbraw/zinc/53/60/63/979536063.db2.gz FKCWSOJMNNNSJS-CMPLNLGQSA-N -1 0 349.374 3.598 20 0 EHADRM C[C@@H](CSC(F)(F)F)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001592824849 979538640 /nfs/dbraw/zinc/53/86/40/979538640.db2.gz OUJDEGWVJSNBQD-VIFPVBQESA-N -1 0 335.347 3.531 20 0 EHADRM CC[C@@H](CN(CC)C(=O)Nc1cc(C(=O)[O-])n(C)c1)c1ccccc1 ZINC001595129796 979538870 /nfs/dbraw/zinc/53/88/70/979538870.db2.gz RPAPMSSRBWQJAN-AWEZNQCLSA-N -1 0 343.427 3.771 20 0 EHADRM C[C@H](Cc1c(Cl)cccc1Cl)Nc1nccc(C(=O)[O-])n1 ZINC001592832348 979564446 /nfs/dbraw/zinc/56/44/46/979564446.db2.gz OXCIXXWIUIFJCO-MRVPVSSYSA-N -1 0 326.183 3.525 20 0 EHADRM C[C@H](CSc1ccccc1)N(C)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001592832423 979565078 /nfs/dbraw/zinc/56/50/78/979565078.db2.gz RRTWPSNGCIEYPL-PRWOLLLXSA-N -1 0 345.420 3.630 20 0 EHADRM C[C@@](Cc1ccc(Cl)cc1)(NC(=O)/C=C\c1cccs1)C(=O)[O-] ZINC001592838150 979586104 /nfs/dbraw/zinc/58/61/04/979586104.db2.gz JKVGMOZQCIMBPH-JJEJIETFSA-N -1 0 349.839 3.617 20 0 EHADRM CC/C(=C/C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccc(C)cc1 ZINC000856994207 979621460 /nfs/dbraw/zinc/62/14/60/979621460.db2.gz TUEQRMIJZGUBTM-VWLVURMCSA-N -1 0 344.436 3.821 20 0 EHADRM CC[C@@H](CNC(=O)Nc1cc(C(=O)[O-])cs1)Oc1ccccc1C ZINC001595152517 979647551 /nfs/dbraw/zinc/64/75/51/979647551.db2.gz LFRSAMUVROWTLC-ZDUSSCGKSA-N -1 0 348.424 3.734 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)[C@@H]2CCCC(F)(F)C2)cc1)C(=O)[O-] ZINC001592858640 979673730 /nfs/dbraw/zinc/67/37/30/979673730.db2.gz RYUVIAWJIPLVJO-DGCLKSJQSA-N -1 0 325.355 3.714 20 0 EHADRM CC[C@@H](CNC(=O)c1ccc(-c2cccc3cccnc32)cc1)C(=O)[O-] ZINC001595160259 979683369 /nfs/dbraw/zinc/68/33/69/979683369.db2.gz FIBOZJPTYJITMC-AWEZNQCLSA-N -1 0 348.402 3.742 20 0 EHADRM CCO[C@H](C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)C1CCCC1 ZINC000864100559 979683611 /nfs/dbraw/zinc/68/36/11/979683611.db2.gz SHCNHRZOLPSROF-AWEZNQCLSA-N -1 0 325.792 3.572 20 0 EHADRM O=C([O-])c1coc(/C=C/C(=O)N(C2CC2)[C@H]2CCc3ccccc32)c1 ZINC000864105641 979692907 /nfs/dbraw/zinc/69/29/07/979692907.db2.gz JRLDBJSZGWKSMS-LNENJAERSA-N -1 0 337.375 3.670 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N2CC[C@@H]2C2CCCC2)cc1)C(=O)[O-] ZINC001592861308 979697862 /nfs/dbraw/zinc/69/78/62/979697862.db2.gz QTUMPPUJXVDJJE-CXAGYDPISA-N -1 0 330.428 3.746 20 0 EHADRM CCC[C@](C)(NC(=O)Cc1csc2sc(C)cc12)C(=O)[O-] ZINC000864112018 979703628 /nfs/dbraw/zinc/70/36/28/979703628.db2.gz CFFIWWAITMCQBN-HNNXBMFYSA-N -1 0 325.455 3.573 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C2([C@H]3CCCCO3)CCC2)cc1 ZINC000864121762 979718549 /nfs/dbraw/zinc/71/85/49/979718549.db2.gz JLDAAWWPWHIQJW-MRXNPFEDSA-N -1 0 345.439 3.727 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2ccc(C(F)F)nc2)cc1)C(=O)[O-] ZINC001592872194 979728103 /nfs/dbraw/zinc/72/81/03/979728103.db2.gz GAOKJFPUEPNAIA-JTQLQIEISA-N -1 0 334.322 3.535 20 0 EHADRM Cc1ccc(C(=O)N2CCc3cc(F)ccc3[C@@H]2C)cc1C(=O)[O-] ZINC000864129100 979730278 /nfs/dbraw/zinc/73/02/78/979730278.db2.gz GSEXNEOAONMNOL-LBPRGKRZSA-N -1 0 327.355 3.592 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2cc(F)c(F)c(F)c2)cc1)C(=O)[O-] ZINC001592873781 979737099 /nfs/dbraw/zinc/73/70/99/979737099.db2.gz ZQDQXLKHGAHYTI-VIFPVBQESA-N -1 0 337.297 3.619 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)NC/C=C/c2ccccc2)cc1)C(=O)[O-] ZINC001592874324 979739726 /nfs/dbraw/zinc/73/97/26/979739726.db2.gz ZFOKLBYVBUCFSI-SBJJXXPASA-N -1 0 338.407 3.785 20 0 EHADRM CC[C@](CNc1cc(C(C)(C)C)ncn1)(C(=O)[O-])c1ccccc1 ZINC001595172505 979742937 /nfs/dbraw/zinc/74/29/37/979742937.db2.gz GJOJORYNGCJYSU-LJQANCHMSA-N -1 0 327.428 3.619 20 0 EHADRM C[C@H](Cc1ccc(Nc2nc(C(F)(F)F)ns2)cc1)C(=O)[O-] ZINC001592881874 979750170 /nfs/dbraw/zinc/75/01/70/979750170.db2.gz AZTYPDPXUIDYHN-SSDOTTSWSA-N -1 0 331.319 3.564 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)N[C@H](CC(=O)[O-])C1CCCC1 ZINC001592883414 979760485 /nfs/dbraw/zinc/76/04/85/979760485.db2.gz QMMBMLCTAWKIGJ-BLLLJJGKSA-N -1 0 337.847 3.668 20 0 EHADRM CCOCCCCCC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC000864157197 979768999 /nfs/dbraw/zinc/76/89/99/979768999.db2.gz WNYKRKPKKUBSHL-QGZVFWFLSA-N -1 0 347.455 3.518 20 0 EHADRM CC(C)CN(Cc1ccccc1)C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000864158200 979769903 /nfs/dbraw/zinc/76/99/03/979769903.db2.gz DMSBXZLJKYQINP-HJWRWDBZSA-N -1 0 327.380 3.676 20 0 EHADRM C[C@](Cc1ccccc1)(NC(=O)CCCCC(=O)[O-])c1ccccc1 ZINC001592890774 979779814 /nfs/dbraw/zinc/77/98/14/979779814.db2.gz IEJQDOYUUMZPGG-OAQYLSRUSA-N -1 0 339.435 3.906 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)N(CC(=O)[O-])c1ccccc1 ZINC001592891242 979782610 /nfs/dbraw/zinc/78/26/10/979782610.db2.gz ORBYZJQASUROBG-ZDUSSCGKSA-N -1 0 331.799 3.636 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)O[C@@H](C)c1nc(C(=O)[O-])co1 ZINC001592892193 979789677 /nfs/dbraw/zinc/78/96/77/979789677.db2.gz XAXKEIARWZARBL-ZJUUUORDSA-N -1 0 337.759 3.509 20 0 EHADRM CC[C@@H](COC(=O)c1ccccc1SCc1ccco1)C(=O)[O-] ZINC001595183109 979813466 /nfs/dbraw/zinc/81/34/66/979813466.db2.gz LFBCCJXCPHTRNQ-LBPRGKRZSA-N -1 0 334.393 3.840 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2ccc(/C=C/C(=O)[O-])o2)C(C)C)c1 ZINC000864175939 979817147 /nfs/dbraw/zinc/81/71/47/979817147.db2.gz UDEAXPRBALVCSM-LNENJAERSA-N -1 0 327.380 3.813 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NCC1CCC2(CC2)CC1)C(=O)[O-] ZINC000864190904 979844011 /nfs/dbraw/zinc/84/40/11/979844011.db2.gz QVFOFGSKFCIHBK-ZDUSSCGKSA-N -1 0 347.480 3.952 20 0 EHADRM C[C@H](Cc1nc(COc2cccc(C(=O)[O-])c2)no1)CC(C)(C)C ZINC001592913140 979885875 /nfs/dbraw/zinc/88/58/75/979885875.db2.gz WURPVSKPILZEAZ-GFCCVEGCSA-N -1 0 332.400 3.962 20 0 EHADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)c1ccc(-c3ccc(F)cc3)s1)C2 ZINC000864208827 979891896 /nfs/dbraw/zinc/89/18/96/979891896.db2.gz MMBWAIADBQBDCI-YNKQFZHNSA-N -1 0 345.395 3.537 20 0 EHADRM CCC[C@H](C(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1)c1ccccn1 ZINC000864230813 979928867 /nfs/dbraw/zinc/92/88/67/979928867.db2.gz AWILTIDNLJAWHT-WMZOPIPTSA-N -1 0 340.423 3.606 20 0 EHADRM CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@](C)(CC)C(=O)[O-] ZINC001595205099 979979457 /nfs/dbraw/zinc/97/94/57/979979457.db2.gz PWWUYQPDNPLVOR-WBMJQRKESA-N -1 0 345.361 3.644 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001595212147 979996837 /nfs/dbraw/zinc/99/68/37/979996837.db2.gz XJXOCQXIEOSDST-UZLBHIALSA-N -1 0 331.456 3.795 20 0 EHADRM CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001595212330 979999107 /nfs/dbraw/zinc/99/91/07/979999107.db2.gz BQAQICRSSSWTPG-CQSZACIVSA-N -1 0 344.386 3.975 20 0 EHADRM CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001595212424 980000218 /nfs/dbraw/zinc/00/02/18/980000218.db2.gz CYYKOYCCXPCECG-MRXNPFEDSA-N -1 0 326.396 3.836 20 0 EHADRM CC(F)(F)CC(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001592936371 980000371 /nfs/dbraw/zinc/00/03/71/980000371.db2.gz VNAKYBBYHIIJPI-JTQLQIEISA-N -1 0 327.110 3.708 20 0 EHADRM CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001595213396 980006231 /nfs/dbraw/zinc/00/62/31/980006231.db2.gz QQFATGFMKALAHI-LBPRGKRZSA-N -1 0 348.349 3.806 20 0 EHADRM CC(F)(F)c1ccc(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])cc1 ZINC001592943146 980013399 /nfs/dbraw/zinc/01/33/99/980013399.db2.gz CMYPOACNENWAMN-INIZCTEOSA-N -1 0 345.345 3.623 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001595219785 980042412 /nfs/dbraw/zinc/04/24/12/980042412.db2.gz RKGHYAGIBUBTSB-PKOBYXMFSA-N -1 0 345.483 3.961 20 0 EHADRM Cc1ccc(CN2CCO[C@@H](c3ccccc3C)C2)cc1C(=O)[O-] ZINC000872159568 980043496 /nfs/dbraw/zinc/04/34/96/980043496.db2.gz WQIUAWXZHRDMSN-LJQANCHMSA-N -1 0 325.408 3.575 20 0 EHADRM CCC(F)(F)c1ccccc1NC(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC001595226093 980075579 /nfs/dbraw/zinc/07/55/79/980075579.db2.gz RJJCAJIXHCSZPT-ZDUSSCGKSA-N -1 0 326.343 3.563 20 0 EHADRM CC[C@@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1cc(F)ccc1F ZINC001595237391 980144907 /nfs/dbraw/zinc/14/49/07/980144907.db2.gz FLIMPEIVVYDVNN-LHRNQBEKSA-N -1 0 335.306 3.537 20 0 EHADRM CC[C@@](NC(=O)/C=C\c1ccc2[nH]ccc2c1)(C(=O)[O-])c1ccccc1 ZINC001595237866 980151543 /nfs/dbraw/zinc/15/15/43/980151543.db2.gz XWLNGAWQAYBOAI-IZKUIKQZSA-N -1 0 348.402 3.687 20 0 EHADRM CC[C@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccc(Cl)cc1 ZINC001595237933 980152169 /nfs/dbraw/zinc/15/21/69/980152169.db2.gz ZVGFJOKFDPEWFJ-PLWJUESGSA-N -1 0 333.771 3.912 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)c1cc3cc(F)ccc3s1)CC2 ZINC000872769311 980157001 /nfs/dbraw/zinc/15/70/01/980157001.db2.gz RMLLASZSUHNDMW-PBHICJAKSA-N -1 0 333.384 3.510 20 0 EHADRM CC[C@@](NC(=O)Cc1ccc(C)cc1Cl)(C(=O)[O-])c1ccccc1 ZINC001595242618 980167071 /nfs/dbraw/zinc/16/70/71/980167071.db2.gz CWQRANAPSJDEDY-IBGZPJMESA-N -1 0 345.826 3.697 20 0 EHADRM CC[C@](NC(=O)Cc1ccc(C)c(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC001595243130 980172105 /nfs/dbraw/zinc/17/21/05/980172105.db2.gz RWBILIUJXXXRFM-LJQANCHMSA-N -1 0 345.826 3.697 20 0 EHADRM CC[C@H](NC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)c1cc(C)ccc1C ZINC001595247920 980195677 /nfs/dbraw/zinc/19/56/77/980195677.db2.gz VILPRYUGMBQTKS-QKLQHJQFSA-N -1 0 344.455 3.793 20 0 EHADRM CC[C@H](NC(=O)NC[C@@H](CC(=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC001595248957 980200281 /nfs/dbraw/zinc/20/02/81/980200281.db2.gz FBNTUIFJPKKBLY-HIFRSBDPSA-N -1 0 338.835 3.591 20 0 EHADRM CC[C@H](NC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)[C@H]1CCCO1 ZINC001595251723 980213772 /nfs/dbraw/zinc/21/37/72/980213772.db2.gz CXWDTXDXYQNRAH-DLBZAZTESA-N -1 0 342.395 3.617 20 0 EHADRM CC[C@H](NC(=O)Nc1c(C)sc(C)c1C(=O)[O-])c1ccncc1 ZINC001595252602 980221102 /nfs/dbraw/zinc/22/11/02/980221102.db2.gz MHVQXWIQOZEZDW-LBPRGKRZSA-N -1 0 333.413 3.731 20 0 EHADRM C[C@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1cccc(C2CC2)c1 ZINC001593009171 980234700 /nfs/dbraw/zinc/23/47/00/980234700.db2.gz NPNZGPDWPZNSEH-OANVXVOSSA-N -1 0 325.364 3.746 20 0 EHADRM CC[C@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001595253675 980234723 /nfs/dbraw/zinc/23/47/23/980234723.db2.gz XCYQUUYUZOWFJR-INIZCTEOSA-N -1 0 346.814 3.989 20 0 EHADRM CC[C@H](NC(=O)Nc1cccc(C(=O)[O-])c1)c1ccc(OC)cc1 ZINC001595258409 980254762 /nfs/dbraw/zinc/25/47/62/980254762.db2.gz OJLPAZPNNHPEKW-INIZCTEOSA-N -1 0 328.368 3.666 20 0 EHADRM CC[C@H](NC(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1)C1CCCC1 ZINC001595258656 980257693 /nfs/dbraw/zinc/25/76/93/980257693.db2.gz WFTBLIOYYLFSTB-NSHDSACASA-N -1 0 339.461 3.596 20 0 EHADRM CC[C@H](NC(=O)c1cc2c(s1)-c1ccccc1C(C)(C)C2)C(=O)[O-] ZINC001595265811 980277355 /nfs/dbraw/zinc/27/73/55/980277355.db2.gz GTGLQQDWLYCSTH-AWEZNQCLSA-N -1 0 343.448 3.842 20 0 EHADRM C[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)C1CCC(F)(F)CC1 ZINC001593020077 980277990 /nfs/dbraw/zinc/27/79/90/980277990.db2.gz UHYNYJCWVXNIQI-GFCCVEGCSA-N -1 0 339.382 3.648 20 0 EHADRM CN(C)C(=O)c1ccc(N[C@H]2CCC[C@@H](CCCC(=O)[O-])C2)cc1 ZINC000901470482 980301816 /nfs/dbraw/zinc/30/18/16/980301816.db2.gz QXDBBZRMGXOTGD-YOEHRIQHSA-N -1 0 332.444 3.614 20 0 EHADRM C[C@@H](N[C@@H](C(=O)[O-])c1ccc2c(c1)CCO2)c1cc2ccccc2o1 ZINC000901524877 980348230 /nfs/dbraw/zinc/34/82/30/980348230.db2.gz JAPZIPZVLATBHK-CWTRNNRKSA-N -1 0 337.375 3.844 20 0 EHADRM Cc1cc(C)cc(N(CCCC(=O)[O-])CC(=O)Nc2ccccc2)c1 ZINC000547646814 1014657829 /nfs/dbraw/zinc/65/78/29/1014657829.db2.gz YLIWEZWJHCSFML-UHFFFAOYSA-N -1 0 340.423 3.613 20 0 EHADRM O=C([O-])c1ccc2[nH]c3c(c2c1)CN(Cc1ncc(Cl)s1)CC3 ZINC000901587268 980393135 /nfs/dbraw/zinc/39/31/35/980393135.db2.gz LLRKQYXHBQXSBS-UHFFFAOYSA-N -1 0 347.827 3.534 20 0 EHADRM COc1ccc([C@@H](N[C@@H](CCc2ccccc2)C(F)F)C(=O)[O-])cc1 ZINC000901642926 980422244 /nfs/dbraw/zinc/42/22/44/980422244.db2.gz WKJZTCDYQWIRRE-DLBZAZTESA-N -1 0 349.377 3.677 20 0 EHADRM Cc1noc(C)c1CNc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC000901775928 980506602 /nfs/dbraw/zinc/50/66/02/980506602.db2.gz NRULQAMXFZEVDS-UHFFFAOYSA-N -1 0 329.400 3.592 20 0 EHADRM Cc1ccnc(CNc2cccc([C@H](C)C(=O)[O-])c2)c1Br ZINC000901812754 980534314 /nfs/dbraw/zinc/53/43/14/980534314.db2.gz BEJGKWYKBNCBHV-NSHDSACASA-N -1 0 349.228 3.953 20 0 EHADRM CC[C@H](OC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1cc(C)ccc1OC ZINC001595336665 980595178 /nfs/dbraw/zinc/59/51/78/980595178.db2.gz NUTHOMBZTZZMCR-DZKIICNBSA-N -1 0 334.412 3.889 20 0 EHADRM CC[C@@H](OC(=O)c1ccc(Oc2ccccc2F)nc1)[C@@H](C)C(=O)[O-] ZINC001595352280 980667586 /nfs/dbraw/zinc/66/75/86/980667586.db2.gz VZDUOAIRKLJJDD-BXUZGUMPSA-N -1 0 347.342 3.669 20 0 EHADRM CC[C@@H](OC(=O)c1csc(-c2ccc(C(C)C)cc2)n1)C(=O)[O-] ZINC001595352543 980670064 /nfs/dbraw/zinc/67/00/64/980670064.db2.gz BIQIBBNOCVBZLV-CQSZACIVSA-N -1 0 333.409 3.954 20 0 EHADRM Cc1nc2cccc(Cl)c2cc1C(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000901999832 980675250 /nfs/dbraw/zinc/67/52/50/980675250.db2.gz VWGYZNVMPZTICP-GFCCVEGCSA-N -1 0 346.814 3.666 20 0 EHADRM CC[C@H](OC(=O)c1cncc(C(=O)[O-])c1)c1c(F)cccc1Cl ZINC001595354047 980688387 /nfs/dbraw/zinc/68/83/87/980688387.db2.gz ZAHRPRIRLDTXJD-ZDUSSCGKSA-N -1 0 337.734 3.880 20 0 EHADRM CC[C@H](OC(=O)c1nc(-c2ccccc2)oc1C1CC1)[C@H](C)C(=O)[O-] ZINC001595354287 980690271 /nfs/dbraw/zinc/69/02/71/980690271.db2.gz RLAYAHOROLNDQO-FZMZJTMJSA-N -1 0 343.379 3.875 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC001595355087 980699300 /nfs/dbraw/zinc/69/93/00/980699300.db2.gz NDPHRZRICHSEKB-XIRDDKMYSA-N -1 0 339.476 3.606 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-] ZINC001595355688 980704517 /nfs/dbraw/zinc/70/45/17/980704517.db2.gz JONNOLAITLJDDC-GFCCVEGCSA-N -1 0 343.782 3.854 20 0 EHADRM CC[C@H](Oc1ccccc1Cl)C(=O)NC(CC)(CC)CC(=O)[O-] ZINC001595356390 980711377 /nfs/dbraw/zinc/71/13/77/980711377.db2.gz CZPOZKOGFOTULC-ZDUSSCGKSA-N -1 0 341.835 3.647 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001595356669 980714408 /nfs/dbraw/zinc/71/44/08/980714408.db2.gz MWANMXFLHBHVTL-AEFFLSMTSA-N -1 0 347.455 3.550 20 0 EHADRM CC[C@H](c1ccccc1)N(C(=O)c1csc(C(=O)[O-])n1)C(C)C ZINC001595359577 980742943 /nfs/dbraw/zinc/74/29/43/980742943.db2.gz DTJVPMVGQLTLFB-CQSZACIVSA-N -1 0 332.425 3.843 20 0 EHADRM Cc1ccc(NC(=O)C2CC2)cc1NCc1ccc(/C=C/C(=O)[O-])o1 ZINC000902124682 980746213 /nfs/dbraw/zinc/74/62/13/980746213.db2.gz GOFVUXIZZQXWND-CMDGGOBGSA-N -1 0 340.379 3.646 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@@H](C)c1ccccc1 ZINC001595361060 980758281 /nfs/dbraw/zinc/75/82/81/980758281.db2.gz DDROMXFEXBYIJG-YJBOKZPZSA-N -1 0 325.408 3.855 20 0 EHADRM O=C([O-])c1cc(CNc2ccc(OC[C@@H]3CCCO3)cc2)cs1 ZINC000902150891 980758995 /nfs/dbraw/zinc/75/89/95/980758995.db2.gz YXHRKPLGNQNZFX-HNNXBMFYSA-N -1 0 333.409 3.616 20 0 EHADRM O=C([O-])c1occc1CNc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000902153429 980759923 /nfs/dbraw/zinc/75/99/23/980759923.db2.gz HXTANNJWYPTOCV-UHFFFAOYSA-N -1 0 342.395 3.606 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)C1CCC(F)(F)CC1 ZINC001595362004 980767162 /nfs/dbraw/zinc/76/71/62/980767162.db2.gz UAJXGGFZUAUTDX-HNNXBMFYSA-N -1 0 339.382 3.876 20 0 EHADRM C[C@H](Nc1ccc(NC(=O)N2CCCCCC2)cc1)[C@@H]1C[C@H]1C(=O)[O-] ZINC000902200464 980779979 /nfs/dbraw/zinc/77/99/79/980779979.db2.gz BSDFFDPEIDNJIZ-RRQGHBQHSA-N -1 0 345.443 3.616 20 0 EHADRM CC(=O)NCc1ccc(N[C@H]2CCC[C@@H](CCCC(=O)[O-])C2)cc1 ZINC000902234992 980794425 /nfs/dbraw/zinc/79/44/25/980794425.db2.gz RMGONSXGTJTGLB-YJBOKZPZSA-N -1 0 332.444 3.548 20 0 EHADRM C[S@](=O)Cc1cccc(N[C@@H]2CCC[C@H](CCCC(=O)[O-])C2)c1 ZINC000902267715 980809395 /nfs/dbraw/zinc/80/93/95/980809395.db2.gz HYSRGNVFYLNBGJ-SWHMAYCHSA-N -1 0 337.485 3.791 20 0 EHADRM CC[C@]1(C)CCCN(C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)C1 ZINC001595369413 980838809 /nfs/dbraw/zinc/83/88/09/980838809.db2.gz ZBAWRIRIFJMUKS-GOSISDBHSA-N -1 0 329.400 3.910 20 0 EHADRM CC[C@]1(C)CCN(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)C1 ZINC001595370851 980844744 /nfs/dbraw/zinc/84/47/44/980844744.db2.gz HWCQRNUINRQRKW-GOSISDBHSA-N -1 0 327.384 3.587 20 0 EHADRM CCC1(CC)CCC(NC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)CC1 ZINC001595374689 980887022 /nfs/dbraw/zinc/88/70/22/980887022.db2.gz OPXRGNZTCBFVAR-OAHLLOKOSA-N -1 0 336.476 3.632 20 0 EHADRM CCC1(CC)CN(C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)C1 ZINC001595375251 980893803 /nfs/dbraw/zinc/89/38/03/980893803.db2.gz APVFPTCRFZSACZ-UHFFFAOYSA-N -1 0 334.416 3.826 20 0 EHADRM CCC1(CC)CN(C(=O)CC2(CC(=O)[O-])CCCC2)CCS1 ZINC001595375281 980893959 /nfs/dbraw/zinc/89/39/59/980893959.db2.gz CNWZZBSWBRTDAG-UHFFFAOYSA-N -1 0 327.490 3.546 20 0 EHADRM CCC1(CC)Oc2ccc(NCc3cc(C(=O)[O-])n(C)c3)cc2O1 ZINC001595376552 980906809 /nfs/dbraw/zinc/90/68/09/980906809.db2.gz BQFJGKNPAXLKDT-UHFFFAOYSA-N -1 0 330.384 3.623 20 0 EHADRM CC[C@@]1(CCc2ccccc2)CCCN1c1nccc(C(=O)[O-])n1 ZINC001595377044 980910046 /nfs/dbraw/zinc/91/00/46/980910046.db2.gz YJBBZIALQBVQKK-IBGZPJMESA-N -1 0 325.412 3.557 20 0 EHADRM CC[C@]1(Cc2ccccc2)CCCN1C(=O)c1oc(C(=O)[O-])cc1C ZINC001595384294 980931028 /nfs/dbraw/zinc/93/10/28/980931028.db2.gz PQSWDLLQPNRIRU-HXUWFJFHSA-N -1 0 341.407 3.914 20 0 EHADRM CC[C@@H]1[C@H](C)CCN1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001595404932 980984370 /nfs/dbraw/zinc/98/43/70/980984370.db2.gz NCOLXJFKBXIYQV-CZUORRHYSA-N -1 0 345.443 3.637 20 0 EHADRM C[C@H](C1CC1)[N@H+](Cc1cc(C(=O)[O-])ccc1Br)C1CC1 ZINC000903887240 981020303 /nfs/dbraw/zinc/02/03/03/981020303.db2.gz NPKHVNDDKVOGJN-SNVBAGLBSA-N -1 0 338.245 3.910 20 0 EHADRM CCC1CCC(N(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C2CC2)CC1 ZINC001595416512 981032603 /nfs/dbraw/zinc/03/26/03/981032603.db2.gz WEBODMJVNDOXLJ-FYRZTWFESA-N -1 0 336.476 3.773 20 0 EHADRM CCC1CCC(NC(=O)C[C@]2(C)CC2(Cl)Cl)(C(=O)[O-])CC1 ZINC001595420948 981039504 /nfs/dbraw/zinc/03/95/04/981039504.db2.gz RUDJZWJTTGIZFE-IWXRYERYSA-N -1 0 336.259 3.500 20 0 EHADRM CC[C@H]1CCC[C@@H](NC(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)C1 ZINC001595432328 981057090 /nfs/dbraw/zinc/05/70/90/981057090.db2.gz PLJXPCFZPYTHFY-QWHCGFSZSA-N -1 0 348.418 3.560 20 0 EHADRM CC[C@H]1CCC[C@@H]1C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC001595435914 981066754 /nfs/dbraw/zinc/06/67/54/981066754.db2.gz NNPLWQLIWDYODD-KSSFIOAISA-N -1 0 344.455 3.614 20 0 EHADRM CC[C@@H]1CCCC[C@H]1C(=O)NC[C@H](Cc1cccc(C)c1)C(=O)[O-] ZINC001595442309 981082350 /nfs/dbraw/zinc/08/23/50/981082350.db2.gz YRDJOHHAFWYSRX-FGTMMUONSA-N -1 0 331.456 3.571 20 0 EHADRM CC[C@H]1CCCC[C@@H]1CNC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001595442336 981082372 /nfs/dbraw/zinc/08/23/72/981082372.db2.gz ZDHPUTVEGDMBIA-GXTWGEPZSA-N -1 0 336.407 3.540 20 0 EHADRM CC[C@H](CNC(=O)Nc1cccc(CSC(C)C)c1C)C(=O)[O-] ZINC000905053581 981087150 /nfs/dbraw/zinc/08/71/50/981087150.db2.gz GKDJRMRCRPOCGI-CYBMUJFWSA-N -1 0 338.473 3.869 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001595444256 981087215 /nfs/dbraw/zinc/08/72/15/981087215.db2.gz LSZHBBDWQOBRSS-DOMZBBRYSA-N -1 0 334.416 3.826 20 0 EHADRM CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001595448078 981096970 /nfs/dbraw/zinc/09/69/70/981096970.db2.gz LSHWNCMJZZSZIT-SJCJKPOMSA-N -1 0 344.411 3.790 20 0 EHADRM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001595448063 981097209 /nfs/dbraw/zinc/09/72/09/981097209.db2.gz LHBIUYRDCVNCKZ-QWHCGFSZSA-N -1 0 339.457 3.987 20 0 EHADRM CC[C@@H]1CCC[C@@H]1CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001595459242 981137033 /nfs/dbraw/zinc/13/70/33/981137033.db2.gz XZKJSSCILUINFG-NXEZZACHSA-N -1 0 326.343 3.611 20 0 EHADRM CC[C@@H]1CCN(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])[C@H]1C ZINC001595460449 981144434 /nfs/dbraw/zinc/14/44/34/981144434.db2.gz WWAAWKWHANPQNX-SQWLQELKSA-N -1 0 332.444 3.669 20 0 EHADRM CC[C@@H]1CN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CCCO1 ZINC001595480560 981197911 /nfs/dbraw/zinc/19/79/11/981197911.db2.gz KBEFMVDOQDHVKS-ZIAGYGMSSA-N -1 0 332.227 3.620 20 0 EHADRM CC[C@H]1CN(C(=O)c2oc(C(=O)[O-])cc2C)CC[C@@H]1c1ccccc1 ZINC001595480542 981198035 /nfs/dbraw/zinc/19/80/35/981198035.db2.gz JNXPGSWJCNNOIZ-HOCLYGCPSA-N -1 0 341.407 3.942 20 0 EHADRM CC(F)(F)c1cccc(NC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)c1 ZINC000907659075 981204960 /nfs/dbraw/zinc/20/49/60/981204960.db2.gz OXWIUDVYQOEQTD-KXBFYZLASA-N -1 0 345.345 3.995 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(F)c3occc32)[C@@H]2CCCC[C@H]12 ZINC000907705229 981209073 /nfs/dbraw/zinc/20/90/73/981209073.db2.gz WBLGLIHQOAINNT-DJSGYFEHSA-N -1 0 345.370 3.677 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)sc1C ZINC000538015523 1032102794 /nfs/dbraw/zinc/10/27/94/1032102794.db2.gz NYOFMAYPOJFXOZ-UHFFFAOYSA-N -1 0 337.466 3.955 20 0 EHADRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)c3ccc(C4CCCC4)cc3)[C@@H]2C1 ZINC000907957276 981245707 /nfs/dbraw/zinc/24/57/07/981245707.db2.gz NHMHNNQJRZDOHV-XDNAFOTISA-N -1 0 327.424 3.573 20 0 EHADRM Cc1c(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)cccc1-c1ccccn1 ZINC000908028123 981254105 /nfs/dbraw/zinc/25/41/05/981254105.db2.gz MWQSPJPAWMYXRC-KRWDZBQOSA-N -1 0 340.423 3.676 20 0 EHADRM CC[C@@H]1Cc2ccccc2CN1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001595499468 981264603 /nfs/dbraw/zinc/26/46/03/981264603.db2.gz JNVNWEPSSMTCHO-OAHLLOKOSA-N -1 0 342.370 3.893 20 0 EHADRM CC[C@H]1Cc2ccccc2CN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001595499568 981265136 /nfs/dbraw/zinc/26/51/36/981265136.db2.gz LYYGZQWHQLMRLU-SFHVURJKSA-N -1 0 338.407 3.683 20 0 EHADRM CC[C@H]1Cc2ccccc2CN1C(=O)NCCCCCCCC(=O)[O-] ZINC001595500557 981273217 /nfs/dbraw/zinc/27/32/17/981273217.db2.gz PRXJESGQXNVUMB-SFHVURJKSA-N -1 0 346.471 3.958 20 0 EHADRM CCC1(C(=O)N[C@@H]2CCSC3(CC(C(=O)[O-])C3)C2)CCCCC1 ZINC000908165369 981275676 /nfs/dbraw/zinc/27/56/76/981275676.db2.gz MQXXVPRHXOWYPO-TXKKKEFDSA-N -1 0 339.501 3.592 20 0 EHADRM CC[C@@H]1c2ccccc2CN1C(=O)Nc1cc(C)c(C(=O)[O-])cn1 ZINC001595504977 981280518 /nfs/dbraw/zinc/28/05/18/981280518.db2.gz SNPLGMRGRIOODL-OAHLLOKOSA-N -1 0 325.368 3.587 20 0 EHADRM O=C([O-])[C@H](CNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)CC1CCCC1 ZINC000908282189 981294664 /nfs/dbraw/zinc/29/46/64/981294664.db2.gz JEOVDVDEZZQUIR-IHRRRGAJSA-N -1 0 349.393 3.752 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)[C@@H](c2ccccc2)C2CC2)CCC1 ZINC000908339001 981303529 /nfs/dbraw/zinc/30/35/29/981303529.db2.gz UDFBWCREMCGDBT-KRWDZBQOSA-N -1 0 329.440 3.722 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CCC1 ZINC000908343435 981305964 /nfs/dbraw/zinc/30/59/64/981305964.db2.gz WZVSCNJVIZANLR-JKSUJKDBSA-N -1 0 349.858 3.985 20 0 EHADRM COc1c(NC(=O)[C@H](C)Cc2ccc(C)cc2)cccc1C(=O)[O-] ZINC000908502308 981319128 /nfs/dbraw/zinc/31/91/28/981319128.db2.gz WXFHEJKKCNLKBJ-CYBMUJFWSA-N -1 0 327.380 3.519 20 0 EHADRM Cc1ccccc1[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000908607240 981329149 /nfs/dbraw/zinc/32/91/49/981329149.db2.gz ZSUUCHZGGOILGC-GUYCJALGSA-N -1 0 329.371 3.570 20 0 EHADRM CCN(CC)c1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000908641861 981331779 /nfs/dbraw/zinc/33/17/79/981331779.db2.gz MTGRNMYUIBAMAZ-HNNXBMFYSA-N -1 0 346.452 3.540 20 0 EHADRM O=C([O-])C12CCC(C(=O)Nc3ccc(F)c(Cl)c3)(CC1)CC2 ZINC000908694586 981340226 /nfs/dbraw/zinc/34/02/26/981340226.db2.gz UJRMXZWLYYOGHC-UHFFFAOYSA-N -1 0 325.767 3.843 20 0 EHADRM CCC[C@@H](C(=O)N1CCc2c(cccc2C(=O)[O-])C1)c1ccccc1 ZINC001595532471 981372636 /nfs/dbraw/zinc/37/26/36/981372636.db2.gz JYXQEORNOQFYST-GOSISDBHSA-N -1 0 337.419 3.853 20 0 EHADRM C[C@H](C(=O)NC(C)(C)CCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000908948101 981391075 /nfs/dbraw/zinc/39/10/75/981391075.db2.gz MXLIENMBZPOXDV-JTQLQIEISA-N -1 0 331.334 3.569 20 0 EHADRM Cc1nc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)c(C)o1 ZINC000909004628 981400544 /nfs/dbraw/zinc/40/05/44/981400544.db2.gz AVYCOPJVFUGKFI-HNNXBMFYSA-N -1 0 344.411 3.535 20 0 EHADRM O=C([O-])CC1(NC(=O)C[C@@H](c2ccc(O)cc2)C2CC2)CCCCC1 ZINC000909059391 981408073 /nfs/dbraw/zinc/40/80/73/981408073.db2.gz MHEXJGHNAMIDSU-QGZVFWFLSA-N -1 0 345.439 3.570 20 0 EHADRM CC[C@@H]1C[C@H](CC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CCO1 ZINC000909108616 981418900 /nfs/dbraw/zinc/41/89/00/981418900.db2.gz UBYZYNRTJVDXJA-ZYHUDNBSSA-N -1 0 325.792 3.572 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)nn1[C@H](C)C1CC1 ZINC000909108726 981419359 /nfs/dbraw/zinc/41/93/59/981419359.db2.gz AGIQNGUXKWGRAF-SNVBAGLBSA-N -1 0 347.802 3.766 20 0 EHADRM Cc1noc(C)c1C(C)(C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000909110902 981420419 /nfs/dbraw/zinc/42/04/19/981420419.db2.gz PWTMVSHOGDTZSH-UHFFFAOYSA-N -1 0 336.775 3.559 20 0 EHADRM CCC[C@](C)(NC(=O)c1cn(CC(C)C)c2ccccc12)C(=O)[O-] ZINC001595553572 981430378 /nfs/dbraw/zinc/43/03/78/981430378.db2.gz JSPSSWDBOCACSO-IBGZPJMESA-N -1 0 330.428 3.671 20 0 EHADRM CCC[C@@](C)(NC(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1)C(=O)[O-] ZINC001595554078 981434506 /nfs/dbraw/zinc/43/45/06/981434506.db2.gz ZAWUZDSNVFWYBX-QGZVFWFLSA-N -1 0 334.803 3.708 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)c2[nH]ccc2C2CC2)c1 ZINC000909224339 981436441 /nfs/dbraw/zinc/43/64/41/981436441.db2.gz KPLDQIMWJQERDV-UHFFFAOYSA-N -1 0 344.436 3.852 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)[C@@H]2CCOC3(CCCC3)C2)c1 ZINC000909271424 981455986 /nfs/dbraw/zinc/45/59/86/981455986.db2.gz FKODJRBZUWLSSM-LLVKDONJSA-N -1 0 337.803 3.716 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2ccn(C3CCCCC3)n2)cc1 ZINC000909286605 981459816 /nfs/dbraw/zinc/45/98/16/981459816.db2.gz RRJGBVNPPVPRML-UHFFFAOYSA-N -1 0 341.411 3.658 20 0 EHADRM Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000909288362 981460268 /nfs/dbraw/zinc/46/02/68/981460268.db2.gz PKMUSIBWEYEKBI-LLVKDONJSA-N -1 0 343.427 3.521 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc(C)c(Oc2ccncc2)c1 ZINC000909313834 981466821 /nfs/dbraw/zinc/46/68/21/981466821.db2.gz SCDQLECNGUSKSN-CQSZACIVSA-N -1 0 342.395 3.508 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 ZINC000909311782 981466976 /nfs/dbraw/zinc/46/69/76/981466976.db2.gz NTOPRGQRSIWZPE-WDEREUQCSA-N -1 0 331.334 3.678 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)C[C@H]2C=CCCC2)cc1 ZINC000909325169 981468695 /nfs/dbraw/zinc/46/86/95/981468695.db2.gz IAPRMOFOHOQKLZ-XJKSGUPXSA-N -1 0 333.453 3.787 20 0 EHADRM CCC[C@H](C)[C@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001595570560 981474582 /nfs/dbraw/zinc/47/45/82/981474582.db2.gz DWHUBLHVHZNSJC-XJKSGUPXSA-N -1 0 347.459 3.883 20 0 EHADRM CSc1cc(C)ccc1CNC(=O)c1ccccc1CCC(=O)[O-] ZINC000909414487 981488910 /nfs/dbraw/zinc/48/89/10/981488910.db2.gz XVQJXNKGONYPQE-UHFFFAOYSA-N -1 0 343.448 3.664 20 0 EHADRM CC(C)Sc1ccccc1NC(=O)CCCn1ccc(C(=O)[O-])n1 ZINC000909415517 981489456 /nfs/dbraw/zinc/48/94/56/981489456.db2.gz WTTXIGCVZANGJE-UHFFFAOYSA-N -1 0 347.440 3.501 20 0 EHADRM CCC[C@@H](CC(C)C)C(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC001595578229 981499003 /nfs/dbraw/zinc/49/90/03/981499003.db2.gz BKHDATMCIZPPIY-XHDPSFHLSA-N -1 0 327.371 3.669 20 0 EHADRM CCC[C@H](CC(C)C)C(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001595579663 981509214 /nfs/dbraw/zinc/50/92/14/981509214.db2.gz SGQQFAGSGICOGS-OXQOHEQNSA-N -1 0 331.456 3.704 20 0 EHADRM CCC[C@H](CC(C)C)C(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001595586046 981528723 /nfs/dbraw/zinc/52/87/23/981528723.db2.gz NHDXNYYSVZNPQX-XYSPPFBYSA-N -1 0 341.517 3.694 20 0 EHADRM CSc1ccccc1CC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000909522969 981528960 /nfs/dbraw/zinc/52/89/60/981528960.db2.gz IZSPYYBQCMKGPV-CYBMUJFWSA-N -1 0 343.448 3.853 20 0 EHADRM O=C([O-])C1(CNC(=O)c2ccccc2-c2ccncc2)CCCCC1 ZINC000909525323 981530785 /nfs/dbraw/zinc/53/07/85/981530785.db2.gz ZOWBZISEKSJQCY-UHFFFAOYSA-N -1 0 338.407 3.514 20 0 EHADRM CCCC(CCC)C(=O)N(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001595587456 981541815 /nfs/dbraw/zinc/54/18/15/981541815.db2.gz NGUYASKEOQAUTI-OAHLLOKOSA-N -1 0 345.361 3.904 20 0 EHADRM CCOc1ccc(NC(=O)c2ccccc2CCC(=O)[O-])c(C)c1 ZINC000909577602 981546804 /nfs/dbraw/zinc/54/68/04/981546804.db2.gz SKHKSXLDRJCIJI-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM CCC[C@H](CCc1ccccc1)NC(=O)NCc1cc(C(=O)[O-])co1 ZINC001595592204 981550562 /nfs/dbraw/zinc/55/05/62/981550562.db2.gz WDSDGGNBXWBSAJ-MRXNPFEDSA-N -1 0 344.411 3.579 20 0 EHADRM CC1(C)C[C@H](NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c2ccccc21 ZINC000909724211 981579924 /nfs/dbraw/zinc/57/99/24/981579924.db2.gz KCMGPCLSNSCBMN-ATIQYGATSA-N -1 0 341.451 3.950 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N1CCC(c2cccc(Cl)c2Cl)CC1 ZINC001594743184 981621632 /nfs/dbraw/zinc/62/16/32/981621632.db2.gz MPBXERVXTYGLCG-LLVKDONJSA-N -1 0 344.238 3.810 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N[C@H](c1cccc2ccccc21)C(F)(F)F ZINC001594748686 981645574 /nfs/dbraw/zinc/64/55/74/981645574.db2.gz RFJBCVDAYKPWPP-SMDDNHRTSA-N -1 0 339.313 3.670 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)CCCc2ccc(O)c(F)c2)c1 ZINC000909835804 981655800 /nfs/dbraw/zinc/65/58/00/981655800.db2.gz WICBWOVZSODELN-GFCCVEGCSA-N -1 0 345.370 3.681 20 0 EHADRM C[C@H](C(=O)N1CCC[C@](C)(C(=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC000909839607 981659850 /nfs/dbraw/zinc/65/98/50/981659850.db2.gz IKBNWRLIEXQZAJ-ZBEGNZNMSA-N -1 0 343.345 3.522 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)NCC1(c2c(Cl)cccc2Cl)CCC1 ZINC001594753595 981662423 /nfs/dbraw/zinc/66/24/23/981662423.db2.gz XOZFPYQGUASWDP-SNVBAGLBSA-N -1 0 344.238 3.642 20 0 EHADRM C[C@H](c1ccc(C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)cc1)C(F)(F)F ZINC000909841562 981663073 /nfs/dbraw/zinc/66/30/73/981663073.db2.gz JKSDEBCKLHMZFW-BDJLRTHQSA-N -1 0 343.345 3.679 20 0 EHADRM O=C([O-])c1cccc2c1CN(C(=O)c1cscc1C(F)F)CC2 ZINC000909866236 981689562 /nfs/dbraw/zinc/68/95/62/981689562.db2.gz SILDQBFJXCVINC-UHFFFAOYSA-N -1 0 337.347 3.582 20 0 EHADRM CC(C)c1ccc(C(C)(C)NC(=O)c2ccoc2CC(=O)[O-])cc1 ZINC000909933317 981704605 /nfs/dbraw/zinc/70/46/05/981704605.db2.gz UTEFGQJXHMNLKK-UHFFFAOYSA-N -1 0 329.396 3.695 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)C(F)(F)Cc1ccccc1)c1ccccc1 ZINC001594764615 981709331 /nfs/dbraw/zinc/70/93/31/981709331.db2.gz QGXJQPDKWJKFTN-INIZCTEOSA-N -1 0 347.361 3.761 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1ccc(C2CC2)nc1C)c1ccccc1 ZINC001594770727 981742272 /nfs/dbraw/zinc/74/22/72/981742272.db2.gz MXVYISPJGXVHPX-SFHVURJKSA-N -1 0 338.407 3.777 20 0 EHADRM C[C@@H](c1ccc(C(=O)N2CCCCC[C@@H]2C(=O)[O-])cc1)C(F)(F)F ZINC000910047685 981744839 /nfs/dbraw/zinc/74/48/39/981744839.db2.gz ZUUIEWRETMTTHL-SMDDNHRTSA-N -1 0 343.345 3.822 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1ccc(C)c(C(C)=O)c1)c1ccccc1 ZINC001594771442 981748271 /nfs/dbraw/zinc/74/82/71/981748271.db2.gz YSVUCIMHZNKQGQ-SFHVURJKSA-N -1 0 339.391 3.708 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)/C(C)=C\c1ccc(F)cc1 ZINC001594778138 981772860 /nfs/dbraw/zinc/77/28/60/981772860.db2.gz IRQKTJZGKPAPOT-QXFGJRORSA-N -1 0 333.403 3.721 20 0 EHADRM CC[C@H](C(=O)Oc1ccc(C(=O)[O-])c(OC)c1)c1ccc(F)cc1 ZINC001594778420 981776454 /nfs/dbraw/zinc/77/64/54/981776454.db2.gz RCJWJIGIEFYDSV-AWEZNQCLSA-N -1 0 332.327 3.632 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@@H](C)c1c(F)cccc1F ZINC001594779568 981781787 /nfs/dbraw/zinc/78/17/87/981781787.db2.gz BBFHLMVSKNOAED-VOJFVSQTSA-N -1 0 339.382 3.560 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)C/C=C\c1ccc(F)cc1 ZINC001594782411 981790356 /nfs/dbraw/zinc/79/03/56/981790356.db2.gz OYVQGCBVIHKKEH-PHWHVTFISA-N -1 0 333.403 3.721 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@@H](C)c1cccc(Cl)c1 ZINC001594782830 981792711 /nfs/dbraw/zinc/79/27/11/981792711.db2.gz UAGHDOFMPUWIGB-KPZWWZAWSA-N -1 0 337.847 3.935 20 0 EHADRM Cc1ccccc1[C@@H](C)C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC000910233852 981797436 /nfs/dbraw/zinc/79/74/36/981797436.db2.gz PNRIAZIOETWWFF-CHWSQXEVSA-N -1 0 345.370 3.728 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000910240598 981807250 /nfs/dbraw/zinc/80/72/50/981807250.db2.gz BFTFJRJJQGGXKL-FZMZJTMJSA-N -1 0 343.345 3.870 20 0 EHADRM CC[C@H](CSc1ccccc1)NC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000910250635 981824642 /nfs/dbraw/zinc/82/46/42/981824642.db2.gz MYKIMGUBUUWMNS-FTXHTYHOSA-N -1 0 347.480 3.709 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cccc(F)c1SC ZINC001594790779 981843520 /nfs/dbraw/zinc/84/35/20/981843520.db2.gz HBLADLOXVNBJNL-QGZVFWFLSA-N -1 0 339.432 3.653 20 0 EHADRM CCCC[C@H](C)N(CCCC)S(=O)(=O)C1CCC(C(=O)[O-])CC1 ZINC001595632014 981847914 /nfs/dbraw/zinc/84/79/14/981847914.db2.gz ODUIHYNQXIGHAU-FHERZECASA-N -1 0 347.521 3.640 20 0 EHADRM Cc1oc(C(C)C)nc1C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000910299619 981855815 /nfs/dbraw/zinc/85/58/15/981855815.db2.gz VOAXFOZAYKVTPG-UONOGXRCSA-N -1 0 328.368 3.547 20 0 EHADRM CCCC[C@@H](CCC)CNS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001595632896 981861941 /nfs/dbraw/zinc/86/19/41/981861941.db2.gz VHWHVVCQADCORG-CQSZACIVSA-N -1 0 341.473 3.578 20 0 EHADRM CCCC[C@H](CC)CNC(=S)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC001595632902 981862339 /nfs/dbraw/zinc/86/23/39/981862339.db2.gz VLRWMTUPIOJHSJ-FZKCQIBNSA-N -1 0 340.533 3.653 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1c(C)occ1C(F)(F)F ZINC001594792763 981863796 /nfs/dbraw/zinc/86/37/96/981863796.db2.gz QJLRDVNSZAZOOL-HNNXBMFYSA-N -1 0 347.333 3.712 20 0 EHADRM CCCC[C@@H](NC(=O)/C=C\c1ccsc1C(F)(F)F)C(=O)[O-] ZINC001595634248 981884245 /nfs/dbraw/zinc/88/42/45/981884245.db2.gz BTGRJQUEDOXSNB-WWQCOOJYSA-N -1 0 335.347 3.540 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)C2(C3CCCCC3)CC2)c2ccccc21 ZINC000910361011 981890368 /nfs/dbraw/zinc/89/03/68/981890368.db2.gz OIFKIWQBQGBQDP-AWEZNQCLSA-N -1 0 327.424 3.952 20 0 EHADRM CCCC[C@H](NC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1)C1CCC1 ZINC001595635860 981909514 /nfs/dbraw/zinc/90/95/14/981909514.db2.gz NWQPEHSDZYTDAO-PWSUYJOCSA-N -1 0 339.461 3.560 20 0 EHADRM CCC(C)(C)NC(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001594805995 981910634 /nfs/dbraw/zinc/91/06/34/981910634.db2.gz LROPQEOOZRCXFE-UHFFFAOYSA-N -1 0 343.383 3.882 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)CCCc1ccc(C3CC3)cc1)CC2 ZINC000910398513 981918580 /nfs/dbraw/zinc/91/85/80/981918580.db2.gz WNNJXUAUZKBYIG-NQIIRXRSSA-N -1 0 341.451 3.743 20 0 EHADRM CCC(C)(C)c1ccccc1C(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC001594815537 981942522 /nfs/dbraw/zinc/94/25/22/981942522.db2.gz CWHPQEAUFBGXBJ-UHFFFAOYSA-N -1 0 329.396 3.904 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1nc(-c2ccccc2)oc1C1CC1 ZINC001594823884 981978957 /nfs/dbraw/zinc/97/89/57/981978957.db2.gz PDQGMYSWNKJIQT-IBGZPJMESA-N -1 0 342.395 3.592 20 0 EHADRM CCCC[C@H](Nc1ccc(Oc2ccnc(Cl)n2)cc1)C(=O)[O-] ZINC001595644853 981982438 /nfs/dbraw/zinc/98/24/38/981982438.db2.gz DEAPQKCQYIEFIH-ZDUSSCGKSA-N -1 0 335.791 3.978 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1ccnn1C(CC)CC ZINC000910618253 982022894 /nfs/dbraw/zinc/02/28/94/982022894.db2.gz DZJZVRJKRHJQEE-UHFFFAOYSA-N -1 0 345.399 3.593 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)CCCOc1ccccc1 ZINC000910620735 982027004 /nfs/dbraw/zinc/02/70/04/982027004.db2.gz GZAQIDWVKDRLRS-UHFFFAOYSA-N -1 0 343.379 3.581 20 0 EHADRM Cc1cc(C(=O)Nc2ccc3c(c2)C=CC2(CCC2)O3)oc1C(=O)[O-] ZINC000910623292 982031908 /nfs/dbraw/zinc/03/19/08/982031908.db2.gz BOMFSIVVMNREQM-UHFFFAOYSA-N -1 0 339.347 3.867 20 0 EHADRM CC(C)(C)c1csc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)n1 ZINC000910631240 982034153 /nfs/dbraw/zinc/03/41/53/982034153.db2.gz VZDYBAAMMKRNAS-UHFFFAOYSA-N -1 0 336.457 3.804 20 0 EHADRM CC[C@@H](C)n1ncc(NC(=O)c2ccc(/C=C\C(=O)[O-])o2)c1C1CC1 ZINC000910649764 982041883 /nfs/dbraw/zinc/04/18/83/982041883.db2.gz YMULSOJINHEEHI-GXMKHXEJSA-N -1 0 343.383 3.675 20 0 EHADRM CCc1c(NC(=O)c2cc(C)cc(C(=O)[O-])c2)cnn1CCC(C)C ZINC000910654863 982043707 /nfs/dbraw/zinc/04/37/07/982043707.db2.gz DDXJVFPZOORFCK-UHFFFAOYSA-N -1 0 343.427 3.751 20 0 EHADRM CCCC[C@@H](S[C@H]1CCCN(c2ccccc2F)C1=O)C(=O)[O-] ZINC001595655887 982048722 /nfs/dbraw/zinc/04/87/22/982048722.db2.gz QFSYRPFFROHGKC-LSDHHAIUSA-N -1 0 339.432 3.698 20 0 EHADRM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000588592541 1032103886 /nfs/dbraw/zinc/10/38/86/1032103886.db2.gz QGMKDELZNSFLLO-WDDYJBPVSA-N -1 0 328.368 3.522 20 0 EHADRM CC[C@@](C)(NC(=O)c1cc2cc(C(F)(F)F)ccc2s1)C(=O)[O-] ZINC001594841668 982057431 /nfs/dbraw/zinc/05/74/31/982057431.db2.gz GFAJYMHRZUCBRC-CQSZACIVSA-N -1 0 345.342 3.903 20 0 EHADRM CCCC[C@H](SCc1nc(Cc2ccc(F)cc2)no1)C(=O)[O-] ZINC001595657884 982066557 /nfs/dbraw/zinc/06/65/57/982066557.db2.gz UZGMECICDUVHBB-ZDUSSCGKSA-N -1 0 338.404 3.676 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC000910699247 982070038 /nfs/dbraw/zinc/07/00/38/982070038.db2.gz MVUJNHVTGVLQOE-NSHDSACASA-N -1 0 340.445 3.641 20 0 EHADRM CC[C@@](C)(NC(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)[O-] ZINC001594846890 982070763 /nfs/dbraw/zinc/07/07/63/982070763.db2.gz SUVNEBKKNMWEMF-GOSISDBHSA-N -1 0 331.343 3.601 20 0 EHADRM CC(=O)c1cc(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)ccc1C ZINC000910702143 982072109 /nfs/dbraw/zinc/07/21/09/982072109.db2.gz DFBUKMVBCNVBHS-UHFFFAOYSA-N -1 0 346.408 3.728 20 0 EHADRM CCCCCC(C)(C)C(=O)Oc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001595663312 982082900 /nfs/dbraw/zinc/08/29/00/982082900.db2.gz UFUDPECBSJFUPE-UHFFFAOYSA-N -1 0 336.384 3.683 20 0 EHADRM CCCCC[C@H](NC(=O)Cc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC001595672100 982130372 /nfs/dbraw/zinc/13/03/72/982130372.db2.gz DRDDZKBZUAOTOI-ZDUSSCGKSA-N -1 0 332.227 3.686 20 0 EHADRM O=C([O-])CC1CC(NC(=O)c2ccc(-c3ccc(F)cc3)s2)C1 ZINC000910812851 982133232 /nfs/dbraw/zinc/13/32/32/982133232.db2.gz OGXFUBKBZIBANK-UHFFFAOYSA-N -1 0 333.384 3.537 20 0 EHADRM CCCCC[C@@H](NC(=O)c1cc2ccccc2n1CCC)C(=O)[O-] ZINC001595675925 982145212 /nfs/dbraw/zinc/14/52/12/982145212.db2.gz DWYVCODCXZUQCI-OAHLLOKOSA-N -1 0 330.428 3.815 20 0 EHADRM CCCCC[C@@H](NC(=O)c1cc(C)cc(Br)c1)C(=O)[O-] ZINC001595676457 982147382 /nfs/dbraw/zinc/14/73/82/982147382.db2.gz KHYYMIXNKGSNKA-CYBMUJFWSA-N -1 0 342.233 3.521 20 0 EHADRM CCCCC[C@@H](NC(=O)c1csc(-c2ccccc2C)n1)C(=O)[O-] ZINC001595680858 982157407 /nfs/dbraw/zinc/15/74/07/982157407.db2.gz JQTBBUKNKYDWTN-CQSZACIVSA-N -1 0 346.452 3.882 20 0 EHADRM CC[C@@H](C)C(=O)Nc1cccc(CNc2nc(C(=O)[O-])c(C)s2)c1 ZINC001594866027 982172872 /nfs/dbraw/zinc/17/28/72/982172872.db2.gz MSLWRYOFVUAEIX-SNVBAGLBSA-N -1 0 347.440 3.746 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)Cc1csc(C(C)(C)C)n1 ZINC000910961101 982178973 /nfs/dbraw/zinc/17/89/73/982178973.db2.gz RQMSHBHWXUVRHE-UHFFFAOYSA-N -1 0 346.452 3.882 20 0 EHADRM Cc1cc(F)ccc1[C@@H](C)NC(=O)CCc1ccccc1C(=O)[O-] ZINC000910989395 982185388 /nfs/dbraw/zinc/18/53/88/982185388.db2.gz XEEYZZVOUPNDFX-CYBMUJFWSA-N -1 0 329.371 3.642 20 0 EHADRM CCCCCCC(=O)N[C@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC001595689554 982187772 /nfs/dbraw/zinc/18/77/72/982187772.db2.gz CZEVQXUQQBKGAA-AWEZNQCLSA-N -1 0 347.333 3.798 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)O[C@@H](C)c1nc(C(=O)[O-])co1)c1ccccc1 ZINC001594873039 982190296 /nfs/dbraw/zinc/19/02/96/982190296.db2.gz IQFSYUCALRLVGW-SLEUVZQESA-N -1 0 331.368 3.807 20 0 EHADRM CC[C@H](C)[C@H](C(=O)O[C@@H](C)c1nc(C(=O)[O-])co1)c1ccccc1 ZINC001594873038 982190880 /nfs/dbraw/zinc/19/08/80/982190880.db2.gz IQFSYUCALRLVGW-HUBLWGQQSA-N -1 0 331.368 3.807 20 0 EHADRM CCC1(C(=O)N2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)CCCCC1 ZINC000911049236 982213454 /nfs/dbraw/zinc/21/34/54/982213454.db2.gz XXWLCNBSLCDASJ-GFCCVEGCSA-N -1 0 336.457 3.518 20 0 EHADRM Cc1cc(NC(=O)C[C@H]2CCc3sccc3C2=O)cc(C(=O)[O-])c1 ZINC000911069499 982223903 /nfs/dbraw/zinc/22/39/03/982223903.db2.gz SMIDGYFSLFDSCG-LLVKDONJSA-N -1 0 343.404 3.529 20 0 EHADRM CCCCCC[C@@H](CC)C(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001595698626 982252552 /nfs/dbraw/zinc/25/25/52/982252552.db2.gz SISLHYDWDIANEG-ZIAGYGMSSA-N -1 0 335.448 3.529 20 0 EHADRM CCCCCC[C@H](C)NC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001595698665 982252869 /nfs/dbraw/zinc/25/28/69/982252869.db2.gz UBYANNUOUNYVOG-OXJNMPFZSA-N -1 0 346.471 3.783 20 0 EHADRM CCCCCCN(Cc1ccc(C)o1)C(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001595709226 982291182 /nfs/dbraw/zinc/29/11/82/982291182.db2.gz XAIGYQSKUZMSSE-UHFFFAOYSA-N -1 0 332.400 3.837 20 0 EHADRM CCCCCCNC(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001595712200 982304393 /nfs/dbraw/zinc/30/43/93/982304393.db2.gz KKUYXBLOPLTJQQ-UHFFFAOYSA-N -1 0 343.221 3.849 20 0 EHADRM CCCCCN(Cc1ccc(Cl)cc1)C(=O)[C@H](C)CC(=O)[O-] ZINC001595715743 982315842 /nfs/dbraw/zinc/31/58/42/982315842.db2.gz BLBGOPBQGPHISB-CYBMUJFWSA-N -1 0 325.836 3.970 20 0 EHADRM CCCCCn1cc(C(=O)N2CCC[C@H]2C(=O)[O-])c2ccccc21 ZINC001595728039 982357185 /nfs/dbraw/zinc/35/71/85/982357185.db2.gz OYPARKPLIBGPFU-KRWDZBQOSA-N -1 0 328.412 3.521 20 0 EHADRM CCCCN(C(=O)NCC1(C(=O)[O-])CC1)[C@H](CC)c1ccccc1 ZINC001595731756 982364153 /nfs/dbraw/zinc/36/41/53/982364153.db2.gz HLHYNOWTYXLIKO-MRXNPFEDSA-N -1 0 332.444 3.814 20 0 EHADRM CCCCN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[C@H](C)c1ccccc1 ZINC001595731793 982364859 /nfs/dbraw/zinc/36/48/59/982364859.db2.gz IBRAAFBYHMXQKM-OIISXLGYSA-N -1 0 332.444 3.813 20 0 EHADRM CCCCN(C)c1ccc(NC(=O)c2ccsc2C(=O)[O-])cc1 ZINC001595741103 982400168 /nfs/dbraw/zinc/40/01/68/982400168.db2.gz DJGNKZBXJJATNL-UHFFFAOYSA-N -1 0 332.425 3.935 20 0 EHADRM Cc1c[nH]c(-c2ccccc2NC(=O)CC2(CC(=O)[O-])CCCC2)n1 ZINC000911392425 982416002 /nfs/dbraw/zinc/41/60/02/982416002.db2.gz RLOUHHPOVBHWRM-UHFFFAOYSA-N -1 0 341.411 3.749 20 0 EHADRM CCCCN(Cc1ccccc1Cl)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001595749226 982421829 /nfs/dbraw/zinc/42/18/29/982421829.db2.gz QZVVQJRYNJKTEY-HDJSIYSDSA-N -1 0 338.835 3.515 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1cccc2c1ccn2CC(C)C)C(=O)[O-] ZINC001594912407 982422526 /nfs/dbraw/zinc/42/25/26/982422526.db2.gz KFAWMIGWOBYALO-GUYCJALGSA-N -1 0 330.428 3.526 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)c1ccc(-c2ccccc2OC)s1)C(=O)[O-] ZINC001594913313 982429408 /nfs/dbraw/zinc/42/94/08/982429408.db2.gz ZANQWCZYTCKOCY-MEDUHNTESA-N -1 0 347.436 3.653 20 0 EHADRM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C[C@@H](C)CC(=O)[O-] ZINC000911494698 982455096 /nfs/dbraw/zinc/45/50/96/982455096.db2.gz WWJHPZBKVQDBBU-HIFRSBDPSA-N -1 0 332.444 3.813 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)CCO2)c1cccc(Cl)c1Cl ZINC000026543508 1014842998 /nfs/dbraw/zinc/84/29/98/1014842998.db2.gz KSBCFJHWXUAZBE-UHFFFAOYSA-N -1 0 344.219 3.729 20 0 EHADRM CCCCNc1nc(CC(=O)Nc2ccc(C)c(C(=O)[O-])c2)cs1 ZINC001595763376 982472056 /nfs/dbraw/zinc/47/20/56/982472056.db2.gz JCMURIPRNMLZQQ-UHFFFAOYSA-N -1 0 347.440 3.543 20 0 EHADRM CC[C@H](C)[C@H](Sc1nnc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC001594928752 982541848 /nfs/dbraw/zinc/54/18/48/982541848.db2.gz MHRPOGBRWMUYHF-KWQFWETISA-N -1 0 326.805 3.981 20 0 EHADRM CC[C@H](C)[C@@H](Sc1nnc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC001594928750 982542346 /nfs/dbraw/zinc/54/23/46/982542346.db2.gz MHRPOGBRWMUYHF-GZMMTYOYSA-N -1 0 326.805 3.981 20 0 EHADRM CC[C@H](C)[C@@H]1CCCCN1C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001594931851 982571748 /nfs/dbraw/zinc/57/17/48/982571748.db2.gz XLUWBXOXLZIGCT-GUYCJALGSA-N -1 0 342.439 3.836 20 0 EHADRM CC[C@@H](C)CC(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001594935237 982585909 /nfs/dbraw/zinc/58/59/09/982585909.db2.gz VLORXHZEJNCJFY-GFCCVEGCSA-N -1 0 328.368 3.947 20 0 EHADRM CCCCC1CCC(C(=O)N[C@@H](CC(=O)[O-])c2ccncc2)CC1 ZINC000911658290 982587047 /nfs/dbraw/zinc/58/70/47/982587047.db2.gz KCLDHPKZZZJFHA-PREGVCBESA-N -1 0 332.444 3.710 20 0 EHADRM CCCCSc1ccc(Cl)cc1C(=O)N(CC)CC(=O)[O-] ZINC001595791542 982589572 /nfs/dbraw/zinc/58/95/72/982589572.db2.gz AHODDALLCBCRTK-UHFFFAOYSA-N -1 0 329.849 3.779 20 0 EHADRM CCCCc1ccc(CC(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])cc1 ZINC001595796245 982601249 /nfs/dbraw/zinc/60/12/49/982601249.db2.gz LBRRGETVDVNQJK-FXAWDEMLSA-N -1 0 331.456 3.721 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)/C=C/c1ccsc1C(F)(F)F)C(=O)[O-] ZINC001594938716 982608452 /nfs/dbraw/zinc/60/84/52/982608452.db2.gz OWJBCIYQBUZKIZ-JOEPOWSHSA-N -1 0 349.374 3.786 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)CCOc1ccc(C(C)C)cc1)C(=O)[O-] ZINC001594939572 982611137 /nfs/dbraw/zinc/61/11/37/982611137.db2.gz UJHHUVAWCLNJGK-RHSMWYFYSA-N -1 0 335.444 3.585 20 0 EHADRM CCCCn1ncc(NC(=O)Nc2ccc(C(=O)[O-])cn2)c1C(C)C ZINC001595807131 982633167 /nfs/dbraw/zinc/63/31/67/982633167.db2.gz DBFNUGVJOVRHIU-UHFFFAOYSA-N -1 0 345.403 3.544 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)c1cccc2c1ccn2CC(C)C)C(=O)[O-] ZINC001594945658 982634834 /nfs/dbraw/zinc/63/48/34/982634834.db2.gz FLJMFPDRYGOJEV-PBHICJAKSA-N -1 0 344.455 3.917 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)NC[C@@H](c1ccccc1)C1CC1 ZINC000911758564 982635327 /nfs/dbraw/zinc/63/53/27/982635327.db2.gz YQIWZOKOIYKLMT-IBGZPJMESA-N -1 0 337.419 3.627 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)c1ccc([C@H](C)C(F)(F)F)cc1)C(=O)[O-] ZINC001594946989 982645855 /nfs/dbraw/zinc/64/58/55/982645855.db2.gz VYCULXGQWQFPGP-COPLHBTASA-N -1 0 345.361 3.972 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)CCc3cccnc3)ccc2s1 ZINC000914779863 982659562 /nfs/dbraw/zinc/65/95/62/982659562.db2.gz ZLSQGZRTDKJSKP-UHFFFAOYSA-N -1 0 326.377 3.566 20 0 EHADRM COc1cccc2cc(C(=O)Nc3ccc(F)c(C(=O)[O-])c3)oc21 ZINC000915150111 982663992 /nfs/dbraw/zinc/66/39/92/982663992.db2.gz KFMCWXHGUWMSSO-UHFFFAOYSA-N -1 0 329.283 3.531 20 0 EHADRM CCCN(C(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1)[C@@H](C)C(=O)[O-] ZINC001595816385 982671727 /nfs/dbraw/zinc/67/17/27/982671727.db2.gz HYNYWSOBJVRFFC-IIANPFDCSA-N -1 0 343.345 3.820 20 0 EHADRM CC[C@H](C)CCC(=O)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001594956877 982690346 /nfs/dbraw/zinc/69/03/46/982690346.db2.gz HXWDWDVASVCADQ-IINYFYTJSA-N -1 0 331.334 3.774 20 0 EHADRM Cc1cc(NC(=O)C[C@@H]2CCC[C@H](C(F)(F)F)O2)ccc1C(=O)[O-] ZINC000923055566 982699352 /nfs/dbraw/zinc/69/93/52/982699352.db2.gz DDMAOWVQQFLYJM-WCQYABFASA-N -1 0 345.317 3.522 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)C1(CCc3ccccc3)CC1)CC2 ZINC000923068478 982705244 /nfs/dbraw/zinc/70/52/44/982705244.db2.gz INOHCZSFEKXPJF-UHFFFAOYSA-N -1 0 349.430 3.683 20 0 EHADRM CCCN(C(=O)c1cc(C(=O)[O-])oc1C)[C@H](C)c1ccccc1OC ZINC001595824568 982705180 /nfs/dbraw/zinc/70/51/80/982705180.db2.gz MABNKLXUNKKVAR-GFCCVEGCSA-N -1 0 345.395 3.908 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1 ZINC001594967810 982730813 /nfs/dbraw/zinc/73/08/13/982730813.db2.gz CADZDWUAOYSLMI-CABCVRRESA-N -1 0 335.444 3.597 20 0 EHADRM CC(C)Oc1c(NC(=O)[C@H]2CCO[C@@H](C(C)C)C2)cccc1C(=O)[O-] ZINC000923111382 982731671 /nfs/dbraw/zinc/73/16/71/982731671.db2.gz RADQTDYOKPRDEF-XJKSGUPXSA-N -1 0 349.427 3.562 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)/C(F)=C\c1ccc(C(F)(F)F)cc1 ZINC001594968202 982732904 /nfs/dbraw/zinc/73/29/04/982732904.db2.gz JDZKYJKLDBCRGW-SEEODLKFSA-N -1 0 347.308 3.728 20 0 EHADRM C[C@@H](C(=O)NCCc1ccccc1C(=O)[O-])c1ccc(Cl)s1 ZINC000923122487 982742377 /nfs/dbraw/zinc/74/23/77/982742377.db2.gz NMWTZOXFGPANQH-SNVBAGLBSA-N -1 0 337.828 3.562 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)C1CCC(c2ccccc2)CC1 ZINC000923154239 982769229 /nfs/dbraw/zinc/76/92/29/982769229.db2.gz LESSFCHJQJVONP-AGERRDQYSA-N -1 0 329.440 3.672 20 0 EHADRM CC[C@H](C)Oc1cc(CNc2cccc(CC(=O)[O-])n2)ccc1OC ZINC001594999413 982906909 /nfs/dbraw/zinc/90/69/09/982906909.db2.gz GBBOACPYAGQBTG-ZDUSSCGKSA-N -1 0 344.411 3.507 20 0 EHADRM CCCN(Cc1ccccc1F)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001595891245 982925488 /nfs/dbraw/zinc/92/54/88/982925488.db2.gz QAINXAQXJFZBAF-UHFFFAOYSA-N -1 0 332.375 3.521 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H](C)OC2CCCCCC2)cc1 ZINC001116479141 982930142 /nfs/dbraw/zinc/93/01/42/982930142.db2.gz KFPJLLXMMBWTAY-CRAIPNDOSA-N -1 0 347.455 3.755 20 0 EHADRM Cc1oc(CNC(=O)c2[nH]c3ccc(C)cc3c2Cl)cc1C(=O)[O-] ZINC001116491638 982931706 /nfs/dbraw/zinc/93/17/06/982931706.db2.gz VZWIVEXHMRZFOR-UHFFFAOYSA-N -1 0 346.770 3.659 20 0 EHADRM CC[C@H](C)c1ccc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)[O-])cc1 ZINC001595009295 982933772 /nfs/dbraw/zinc/93/37/72/982933772.db2.gz HEBCBOVUZGONAL-SCLBCKFNSA-N -1 0 343.398 3.765 20 0 EHADRM CC[C@@H](C)c1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cc1 ZINC001595010820 982943521 /nfs/dbraw/zinc/94/35/21/982943521.db2.gz YQMQBFWTQSXWDL-KUHUBIRLSA-N -1 0 337.419 3.852 20 0 EHADRM CCCN1CCN(Cc2cccc(C(=O)[O-])c2)c2ccc(F)cc21 ZINC001595912069 983003396 /nfs/dbraw/zinc/00/33/96/983003396.db2.gz GJRGRYYYALEUAL-UHFFFAOYSA-N -1 0 328.387 3.761 20 0 EHADRM CCCNc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001595937331 983083403 /nfs/dbraw/zinc/08/34/03/983083403.db2.gz ZQULWYSJGYMWRP-AOOOYVTPSA-N -1 0 344.333 3.577 20 0 EHADRM CCCOc1ccc2c(c1)CCN(Cc1cc(C(=O)[O-])oc1CC)C2 ZINC001595967255 983177901 /nfs/dbraw/zinc/17/79/01/983177901.db2.gz IPXIXLQUCJYVKL-UHFFFAOYSA-N -1 0 343.423 3.887 20 0 EHADRM CCCOc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(C)c2)c1 ZINC001595967472 983181177 /nfs/dbraw/zinc/18/11/77/983181177.db2.gz XNVYWEIAZPNTGE-SFHVURJKSA-N -1 0 341.407 3.730 20 0 EHADRM C[C@H](O)C[C@H]1CCCCCN1C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000655072493 1014923963 /nfs/dbraw/zinc/92/39/63/1014923963.db2.gz NOPJURMJIBKLFU-NWDGAFQWSA-N -1 0 345.361 3.567 20 0 EHADRM CCCc1c(C(=O)Nc2ccc3occc3c2)[nH]c(C)c1C(=O)[O-] ZINC001596045173 983330803 /nfs/dbraw/zinc/33/08/03/983330803.db2.gz BTKAATZFKNXALS-UHFFFAOYSA-N -1 0 326.352 3.972 20 0 EHADRM CCCc1c(C(=O)Nc2ccc(C(C)(C)C)nc2)[nH]c(C)c1C(=O)[O-] ZINC001596045211 983330950 /nfs/dbraw/zinc/33/09/50/983330950.db2.gz DAJZKFFTGQYOTG-UHFFFAOYSA-N -1 0 343.427 3.919 20 0 EHADRM CCCc1c(C(=O)OCc2ccoc2C(=O)[O-])cnn1C1CCCC1 ZINC001596048760 983346766 /nfs/dbraw/zinc/34/67/66/983346766.db2.gz VLJYWUJCOPTBLH-UHFFFAOYSA-N -1 0 346.383 3.599 20 0 EHADRM CCCc1cc(C(=O)N(CC)c2ncc(C(=O)[O-])s2)sc1C ZINC001596052875 983353179 /nfs/dbraw/zinc/35/31/79/983353179.db2.gz IVQNHUNHCZEHTL-UHFFFAOYSA-N -1 0 338.454 3.830 20 0 EHADRM CCCc1cc(C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])no1 ZINC001596057127 983363961 /nfs/dbraw/zinc/36/39/61/983363961.db2.gz YWFLIKBTTZUNHO-UHFFFAOYSA-N -1 0 336.413 3.937 20 0 EHADRM CCCc1ccc(CCCC(=O)Nc2cc(C)[nH]c2C(=O)[O-])cc1 ZINC001596063127 983374198 /nfs/dbraw/zinc/37/41/98/983374198.db2.gz QZZGIYMUQPCXGI-UHFFFAOYSA-N -1 0 328.412 3.935 20 0 EHADRM CCCc1ccc([C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C(C)C)cc1 ZINC001596063104 983374209 /nfs/dbraw/zinc/37/42/09/983374209.db2.gz PTAKQFUUCXPSTA-KSZLIROESA-N -1 0 331.456 3.953 20 0 EHADRM CCCc1ccccc1NC(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1 ZINC001596070601 983385937 /nfs/dbraw/zinc/38/59/37/983385937.db2.gz OHVXUPVVTZQYBW-QGZVFWFLSA-N -1 0 340.423 3.847 20 0 EHADRM CCCc1ccccc1C(=O)NC[C@H](Cc1cccc(C)c1)C(=O)[O-] ZINC001596070736 983387143 /nfs/dbraw/zinc/38/71/43/983387143.db2.gz XFSMYYDYVVEEMG-SFHVURJKSA-N -1 0 339.435 3.621 20 0 EHADRM CCCn1cc(C(=O)OCc2c3ccccc3sc2C(=O)[O-])cn1 ZINC001596113417 983442848 /nfs/dbraw/zinc/44/28/48/983442848.db2.gz HTCTXEPVPQYUDJ-UHFFFAOYSA-N -1 0 344.392 3.563 20 0 EHADRM CCCn1ccc2ccc(NC(=O)NC[C@@H](CC(=O)[O-])C3CC3)cc21 ZINC001596116264 983447194 /nfs/dbraw/zinc/44/71/94/983447194.db2.gz YWEGMZKQCCUOGF-OAHLLOKOSA-N -1 0 343.427 3.674 20 0 EHADRM CCN(C(=O)NC1CC(CC(=O)[O-])C1)[C@@H](C)c1cc2ccccc2o1 ZINC001596148842 983505663 /nfs/dbraw/zinc/50/56/63/983505663.db2.gz DSTRGZCOIJKVGF-OPFPJEHXSA-N -1 0 344.411 3.779 20 0 EHADRM CCN(C(=O)c1ccc2c(c1)C(C)(C)CO2)c1ccccc1C(=O)[O-] ZINC001596169754 983534081 /nfs/dbraw/zinc/53/40/81/983534081.db2.gz QBEVIOXDUFTHJK-UHFFFAOYSA-N -1 0 339.391 3.722 20 0 EHADRM CCN(CC)C(=S)S[C@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001596253936 983659897 /nfs/dbraw/zinc/65/98/97/983659897.db2.gz QLXRTNHKPGCFQW-GFCCVEGCSA-N -1 0 331.890 3.696 20 0 EHADRM CCN(CCC(=O)[O-])c1nc(C)nc2sc3c(c21)CCCCC3 ZINC001596318314 983749147 /nfs/dbraw/zinc/74/91/47/983749147.db2.gz AXDNLUHDIXIWER-UHFFFAOYSA-N -1 0 333.457 3.570 20 0 EHADRM CCN(Cc1cccc(Cl)c1)C(=O)c1cccc(CC(=O)[O-])c1 ZINC001596364369 983845798 /nfs/dbraw/zinc/84/57/98/983845798.db2.gz AVEFZYXVWPGHEM-UHFFFAOYSA-N -1 0 331.799 3.629 20 0 EHADRM CCN(Cc1ccccc1F)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001596371775 983872890 /nfs/dbraw/zinc/87/28/90/983872890.db2.gz LACVYCHORJFQJB-UHFFFAOYSA-N -1 0 348.349 3.646 20 0 EHADRM CCN(Cc1cccs1)C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001596375154 983883729 /nfs/dbraw/zinc/88/37/29/983883729.db2.gz LMSINVWUKGQRML-UHFFFAOYSA-N -1 0 347.440 3.566 20 0 EHADRM CCNC(=O)Nc1ccc(C)c(N[C@H](C(=O)[O-])c2ccccc2C)c1 ZINC001596473076 984197522 /nfs/dbraw/zinc/19/75/22/984197522.db2.gz BRZAIPSDILERFP-KRWDZBQOSA-N -1 0 341.411 3.683 20 0 EHADRM C/C(=C(\F)C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1)C1CC1 ZINC001588933258 984611742 /nfs/dbraw/zinc/61/17/42/984611742.db2.gz QSYOBLVMPBLJSD-NCPSJORJSA-N -1 0 325.767 3.626 20 0 EHADRM C/C(=C\C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21)c1ccccc1C ZINC001588937481 984616430 /nfs/dbraw/zinc/61/64/30/984616430.db2.gz IZIFTMJJZZQYGZ-DQUZTPNMSA-N -1 0 341.451 3.890 20 0 EHADRM C/C(=C\C(=O)N1CCCc2ccc(C)c(C(=O)[O-])c21)c1ccco1 ZINC001588937697 984618388 /nfs/dbraw/zinc/61/83/88/984618388.db2.gz PHGHSHKELSAJSF-ACCUITESSA-N -1 0 325.364 3.669 20 0 EHADRM C/C(=C/C(=O)NC[C@H](C(=O)[O-])C1CCCCCC1)c1ccccc1 ZINC001588938332 984620846 /nfs/dbraw/zinc/62/08/46/984620846.db2.gz BZHYQUUAUCAZEU-OJSRQPNCSA-N -1 0 329.440 3.877 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)Cc1c(F)cccc1Cl ZINC001599887286 984651141 /nfs/dbraw/zinc/65/11/41/984651141.db2.gz TUZFWMMARGTXOG-GFCCVEGCSA-N -1 0 349.789 3.524 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC001599887390 984653016 /nfs/dbraw/zinc/65/30/16/984653016.db2.gz GUXVMOBWUWPWQZ-LLVKDONJSA-N -1 0 332.331 3.603 20 0 EHADRM C/C(=C\C(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1)C1CC1 ZINC001588946511 984656902 /nfs/dbraw/zinc/65/69/02/984656902.db2.gz RKVDLBDLJRUXNP-YRNVUSSQSA-N -1 0 342.420 3.727 20 0 EHADRM C/C(=C/C1CCC(C)CC1)C(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1 ZINC001588956120 984701347 /nfs/dbraw/zinc/70/13/47/984701347.db2.gz HBULECAZSAWMIF-LMXAHKICSA-N -1 0 343.467 3.961 20 0 EHADRM C/C(=C/C(C)(C)C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001588956192 984702454 /nfs/dbraw/zinc/70/24/54/984702454.db2.gz IOELVYYMBRVPNA-NTMALXAHSA-N -1 0 341.354 3.960 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC001588999490 984937381 /nfs/dbraw/zinc/93/73/81/984937381.db2.gz VSHXQQBRDOKBBR-OUKQBFOZSA-N -1 0 339.366 3.907 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)c2cc(Cl)c(F)cc2Cl)(C(=O)[O-])CC1 ZINC001599907386 984941373 /nfs/dbraw/zinc/94/13/73/984941373.db2.gz RAROZGVQQPRZTQ-APXWNHPRSA-N -1 0 348.201 3.896 20 0 EHADRM C/C(=C/c1cccc(Cl)c1)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001589000896 984942835 /nfs/dbraw/zinc/94/28/35/984942835.db2.gz FPXUINNGAKGJCR-QBFSEMIESA-N -1 0 343.810 3.800 20 0 EHADRM C/C(=C\c1ccncc1)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001589010897 984984259 /nfs/dbraw/zinc/98/42/59/984984259.db2.gz SFPFKRUYCPQJAF-JLHYYAGUSA-N -1 0 332.359 3.975 20 0 EHADRM C/C(=C\c1ccncc1)C(=O)Oc1cc2ccccc2cc1C(=O)[O-] ZINC001589011552 984990811 /nfs/dbraw/zinc/99/08/11/984990811.db2.gz ZWRQFFGPBFAYGV-JLHYYAGUSA-N -1 0 333.343 3.942 20 0 EHADRM C[C@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)C[C@]1(C)C(=O)[O-] ZINC001599913789 985024421 /nfs/dbraw/zinc/02/44/21/985024421.db2.gz IVXRVZWTPIPWMS-OTUCFGOJSA-N -1 0 337.419 3.513 20 0 EHADRM CCO[C@H](CCNC(=O)Nc1cc(C)cc(C(=O)[O-])c1)C1CCCC1 ZINC001596784801 985252416 /nfs/dbraw/zinc/25/24/16/985252416.db2.gz ZOQNAFZSNSYMRE-QGZVFWFLSA-N -1 0 348.443 3.800 20 0 EHADRM CCO[C@@H](c1noc(-c2ccc(C(=O)[O-])c(F)c2)n1)c1ccccc1 ZINC001596789299 985256182 /nfs/dbraw/zinc/25/61/82/985256182.db2.gz BBPJQEFSYIXWHZ-OAHLLOKOSA-N -1 0 342.326 3.700 20 0 EHADRM CCO[C@H]1C[C@H](N(C)C(=O)Nc2ccc(C(=O)[O-])cc2CC)C1(C)C ZINC001596809094 985340576 /nfs/dbraw/zinc/34/05/76/985340576.db2.gz HMTBXCSSDBASSG-HOTGVXAUSA-N -1 0 348.443 3.615 20 0 EHADRM C[C@H]1Cc2ccccc2N(C(=O)c2cc3c(s2)CCC3)[C@H]1C(=O)[O-] ZINC001599936626 985403883 /nfs/dbraw/zinc/40/38/83/985403883.db2.gz ALXOTABRYKLWGZ-APPDUMDISA-N -1 0 341.432 3.529 20 0 EHADRM C[C@H]1Cc2ccccc2N(C(=O)c2ccc(Cl)cc2)[C@H]1C(=O)[O-] ZINC001599936889 985406826 /nfs/dbraw/zinc/40/68/26/985406826.db2.gz HEAHHWFXLDQYQG-MEDUHNTESA-N -1 0 329.783 3.632 20 0 EHADRM C[C@]1(C(=O)NCCCCC2(C(=O)[O-])CCC2)C[C@@H]1c1ccccc1 ZINC001599937885 985418626 /nfs/dbraw/zinc/41/86/26/985418626.db2.gz OFNWNYZLGOHWAI-APWZRJJASA-N -1 0 329.440 3.722 20 0 EHADRM CCO[C@H]1C[C@H](Nc2ccc(C(=O)[O-])cc2OC)C12CCCCC2 ZINC001596842810 985531931 /nfs/dbraw/zinc/53/19/31/985531931.db2.gz MXVYISVZHRXPCY-IRXDYDNUSA-N -1 0 333.428 3.933 20 0 EHADRM CCO[C@H]1C[C@@H](Nc2cc(COC)cc(C(=O)[O-])c2)C12CCCC2 ZINC001596843944 985537404 /nfs/dbraw/zinc/53/74/04/985537404.db2.gz XMCZTWZFQCBMMU-SJORKVTESA-N -1 0 333.428 3.681 20 0 EHADRM Cc1[nH]c(C(=O)[C@@H](C)SCC2CC(F)(F)C2)c(C)c1C(=O)[O-] ZINC001599948688 985572196 /nfs/dbraw/zinc/57/21/96/985572196.db2.gz QXVQPOGCKPCJFF-SECBINFHSA-N -1 0 331.384 3.679 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)Sc2nc(C(C)C)c[nH]2)c(C)c1C(=O)[O-] ZINC001599949234 985579160 /nfs/dbraw/zinc/57/91/60/985579160.db2.gz WIWIXIPCSIWJHC-JTQLQIEISA-N -1 0 335.429 3.540 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])ccc2Cl)[C@@H]1c1ccccc1 ZINC001594490117 985599503 /nfs/dbraw/zinc/59/95/03/985599503.db2.gz VKGBXHOTZVFKMM-BZNIZROVSA-N -1 0 329.783 3.871 20 0 EHADRM CC(=O)Nc1ccc(OCc2ccc(C)c(C(=O)[O-])c2)c(F)c1F ZINC001589199996 985643274 /nfs/dbraw/zinc/64/32/74/985643274.db2.gz QAVDKIFKGGARMC-UHFFFAOYSA-N -1 0 335.306 3.509 20 0 EHADRM CC(=O)Nc1ccc(Sc2nc(Cl)c(C(=O)[O-])s2)cc1 ZINC001589204385 985661693 /nfs/dbraw/zinc/66/16/93/985661693.db2.gz YIWJEHWXFHYABM-UHFFFAOYSA-N -1 0 328.802 3.604 20 0 EHADRM Cc1[nH]c(C(=O)Nc2cccc(OCC(C)C)c2)c(C)c1C(=O)[O-] ZINC001599954434 985663208 /nfs/dbraw/zinc/66/32/08/985663208.db2.gz GIFQQPLZEHINEO-UHFFFAOYSA-N -1 0 330.384 3.617 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1CCc2c(cccc2C(C)C)C1 ZINC001599954492 985664331 /nfs/dbraw/zinc/66/43/31/985664331.db2.gz MICZVKOKJMROIY-UHFFFAOYSA-N -1 0 340.423 3.652 20 0 EHADRM CC(=O)Nc1cccc2c1CCCN2[C@H](C(=O)[O-])c1ccccc1C ZINC001589215567 985709964 /nfs/dbraw/zinc/70/99/64/985709964.db2.gz DUPVXFQRENEWKV-IBGZPJMESA-N -1 0 338.407 3.532 20 0 EHADRM CC(=O)[C@@H]1C[C@H](CC(=O)Nc2c(C)sc(C)c2C(=O)[O-])C1(C)C ZINC001589230652 985776862 /nfs/dbraw/zinc/77/68/62/985776862.db2.gz AWYIMJCYYDOOMB-NEPJUHHUSA-N -1 0 337.441 3.643 20 0 EHADRM CCOCCCCCC(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-] ZINC001596907744 985894561 /nfs/dbraw/zinc/89/45/61/985894561.db2.gz YSGHASRAOSQCEP-UHFFFAOYSA-N -1 0 331.771 3.713 20 0 EHADRM Cc1[nH]c2ccccc2c1CC(=O)NC1(CCC(=O)[O-])CCCCC1 ZINC001599965623 985899791 /nfs/dbraw/zinc/89/97/91/985899791.db2.gz PHIWOTQJHHLYHU-UHFFFAOYSA-N -1 0 342.439 3.703 20 0 EHADRM Cc1nc(SCc2occc2C(=O)[O-])[nH]c1Cc1ccccc1 ZINC001599966169 985909957 /nfs/dbraw/zinc/90/99/57/985909957.db2.gz SFEMJEJACWVKLA-UHFFFAOYSA-N -1 0 328.393 3.892 20 0 EHADRM CC(=O)c1ccc(C(=O)N2CCCc3ccc(C)c(C(=O)[O-])c32)s1 ZINC001589273381 985974229 /nfs/dbraw/zinc/97/42/29/985974229.db2.gz CEXYCCQNILCTLJ-UHFFFAOYSA-N -1 0 343.404 3.550 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2cccc(C(=O)[O-])c2Cl)cc1C ZINC001589277099 985991433 /nfs/dbraw/zinc/99/14/33/985991433.db2.gz BVACDKIZDLVTHU-UHFFFAOYSA-N -1 0 331.755 3.802 20 0 EHADRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)C1(CCF)CC1 ZINC001599971049 986006714 /nfs/dbraw/zinc/00/67/14/986006714.db2.gz JFTQDQIOMMFKGG-UHFFFAOYSA-N -1 0 344.180 3.534 20 0 EHADRM CC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC001589283915 986016887 /nfs/dbraw/zinc/01/68/87/986016887.db2.gz OBTUSVCZYIHDBH-UHFFFAOYSA-N -1 0 335.718 3.632 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001599980579 986156253 /nfs/dbraw/zinc/15/62/53/986156253.db2.gz YEONMJMGFZVBNC-UHFFFAOYSA-N -1 0 329.396 3.815 20 0 EHADRM Cc1c2cccc(Cl)c2[nH]c1C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC001599982071 986178291 /nfs/dbraw/zinc/17/82/91/986178291.db2.gz RDTZMPGXZRGINA-OAHLLOKOSA-N -1 0 342.782 3.685 20 0 EHADRM C[C@@H]1CN(Cc2cccc(C(=O)[O-])c2Cl)Cc2ccccc2O1 ZINC001594542535 986186538 /nfs/dbraw/zinc/18/65/38/986186538.db2.gz QDONQNVWAWJETF-GFCCVEGCSA-N -1 0 331.799 3.821 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001599983295 986194514 /nfs/dbraw/zinc/19/45/14/986194514.db2.gz JGZALZGFADKZPC-QOBDMFJFSA-N -1 0 347.798 3.624 20 0 EHADRM Cc1c(C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)ccn1C(C)C ZINC001599983906 986203271 /nfs/dbraw/zinc/20/32/71/986203271.db2.gz KOTUBDDBZDIQAR-UHFFFAOYSA-N -1 0 325.368 3.809 20 0 EHADRM C[C@H]([C@H](C)C(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1)C(C)(C)C ZINC001589346283 986286715 /nfs/dbraw/zinc/28/67/15/986286715.db2.gz ONKJDISBKQFDBD-BXTJHSDWSA-N -1 0 331.456 3.560 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1CCCCC1(F)F ZINC001597009945 986346268 /nfs/dbraw/zinc/34/62/68/986346268.db2.gz SKFOWKJBAGHYSM-LLVKDONJSA-N -1 0 327.327 3.548 20 0 EHADRM C[C@H](C(=O)N1CCCCc2cc(C(=O)[O-])ccc21)c1cccs1 ZINC001589358358 986348144 /nfs/dbraw/zinc/34/81/44/986348144.db2.gz APUHEVVUZCGLLO-LBPRGKRZSA-N -1 0 329.421 3.919 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@@H]1CC(C)C ZINC001597016656 986385456 /nfs/dbraw/zinc/38/54/56/986385456.db2.gz IQESOAUBHFXPLP-CQSZACIVSA-N -1 0 334.416 3.826 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@@H]1C1CCCC1 ZINC001597017277 986392302 /nfs/dbraw/zinc/39/23/02/986392302.db2.gz XASBLJHFVXMWDQ-MRXNPFEDSA-N -1 0 346.427 3.970 20 0 EHADRM C[C@H](C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1)C1CCCC1 ZINC001589368338 986397522 /nfs/dbraw/zinc/39/75/22/986397522.db2.gz FHDNPKJIPMIMKP-AFAVFJNCSA-N -1 0 349.858 3.793 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)Nc1ccc(COC)cc1 ZINC001597022096 986418752 /nfs/dbraw/zinc/41/87/52/986418752.db2.gz LBXRSJZRGZXXBC-UHFFFAOYSA-N -1 0 344.367 3.574 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1cn(C)c2ccccc12 ZINC001597024666 986429010 /nfs/dbraw/zinc/42/90/10/986429010.db2.gz BVCOHNCEEKKMOJ-UHFFFAOYSA-N -1 0 338.363 3.528 20 0 EHADRM O=C(NCCOc1cccc(Cl)c1)c1ccc([O-])c(Cl)c1 ZINC000047201141 1015223474 /nfs/dbraw/zinc/22/34/74/1015223474.db2.gz ARAQFMFAHKJDGM-UHFFFAOYSA-N -1 0 326.179 3.508 20 0 EHADRM CCOc1cc(NC(=O)N[C@@H](CC(=O)[O-])c2cccs2)ccc1C ZINC001597042087 986490830 /nfs/dbraw/zinc/49/08/30/986490830.db2.gz JFMPVPDVIUIWDL-ZDUSSCGKSA-N -1 0 348.424 3.793 20 0 EHADRM CCOc1ccc(C(C)=O)cc1CSCc1cccc(C(=O)[O-])n1 ZINC001597079774 986620398 /nfs/dbraw/zinc/62/03/98/986620398.db2.gz UGMFNCFJEXSGCZ-UHFFFAOYSA-N -1 0 345.420 3.815 20 0 EHADRM C[C@@H]1Cc2cc(C(=O)Nc3cc(Cl)cc(C(=O)[O-])c3)ccc2O1 ZINC001594617225 986638159 /nfs/dbraw/zinc/63/81/59/986638159.db2.gz ZLZJUBWECLGCAM-SECBINFHSA-N -1 0 331.755 3.614 20 0 EHADRM CCOc1ccc(C[C@@H](C)c2nc(-c3cc(C(=O)[O-])co3)no2)cc1 ZINC001597084925 986644997 /nfs/dbraw/zinc/64/49/97/986644997.db2.gz IRGFBCMPYTWYMT-LLVKDONJSA-N -1 0 342.351 3.773 20 0 EHADRM C[C@@H](C(=O)NCc1ccc(OCCCC(=O)[O-])cc1)[C@H](C)C(C)(C)C ZINC001589416207 986652838 /nfs/dbraw/zinc/65/28/38/986652838.db2.gz SWQAKIMWKDAJKT-CABCVRRESA-N -1 0 349.471 3.865 20 0 EHADRM C[C@@H](C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])c1ccccc1C(F)(F)F ZINC001589423903 986684220 /nfs/dbraw/zinc/68/42/20/986684220.db2.gz NYXPFIMOKFCLLA-UHIISALHSA-N -1 0 343.345 3.569 20 0 EHADRM C[C@H]1N(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CCOC1(C)C ZINC001594624709 986688584 /nfs/dbraw/zinc/68/85/84/986688584.db2.gz CCXMGFIRCFLPCF-GFCCVEGCSA-N -1 0 342.395 3.569 20 0 EHADRM CCOc1ccc(CCC(=O)Nc2sc(CC)cc2C(=O)[O-])cc1 ZINC001597095653 986695274 /nfs/dbraw/zinc/69/52/74/986695274.db2.gz JGAHLSWFBNUJEK-UHFFFAOYSA-N -1 0 347.436 3.979 20 0 EHADRM C[C@H](C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O)c1ccsc1 ZINC001589429356 986709043 /nfs/dbraw/zinc/70/90/43/986709043.db2.gz NVNUGGSNIQROPO-ZETCQYMHSA-N -1 0 325.773 3.548 20 0 EHADRM C[C@H](C(=O)Nc1ccc2c(c1)[nH]cc2C(=O)[O-])c1ccc(F)c(F)c1 ZINC001589439683 986779263 /nfs/dbraw/zinc/77/92/63/986779263.db2.gz ZPRGOGTVHYKDKS-VIFPVBQESA-N -1 0 344.317 3.887 20 0 EHADRM C[C@H](C(=O)Nc1cccnc1SCCC(=O)[O-])c1cccc(F)c1 ZINC001589444033 986794227 /nfs/dbraw/zinc/79/42/27/986794227.db2.gz HYUGVTFBBTZTJY-NSHDSACASA-N -1 0 348.399 3.530 20 0 EHADRM C[C@H]1OCC[C@H]1C(=O)Nc1sc(C2CCCCC2)cc1C(=O)[O-] ZINC001594643207 986816191 /nfs/dbraw/zinc/81/61/91/986816191.db2.gz DNCCWGLUHMTGRK-ZYHUDNBSSA-N -1 0 337.441 3.858 20 0 EHADRM CCOc1ccc(S[C@H](C(=O)OC)c2cccc(C(=O)[O-])c2)cc1 ZINC001597137165 986874519 /nfs/dbraw/zinc/87/45/19/986874519.db2.gz AVLBQZWBYRMRHK-INIZCTEOSA-N -1 0 346.404 3.790 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Nc1ccc2ccccc2n1)c1ccccc1 ZINC001589458347 986902098 /nfs/dbraw/zinc/90/20/98/986902098.db2.gz LTYXXFZVSCRYCW-FZKQIMNGSA-N -1 0 349.390 3.818 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1cc2ccccc2cc1O)c1ccccc1 ZINC001589462804 986920985 /nfs/dbraw/zinc/92/09/85/986920985.db2.gz UXTZCGSSZIHUTI-DJJJIMSYSA-N -1 0 349.386 3.737 20 0 EHADRM CC(C)(C)c1ccccc1-c1cccc(CS(=O)(=O)CC(=O)[O-])c1 ZINC000579853502 1015262943 /nfs/dbraw/zinc/26/29/43/1015262943.db2.gz RZVMJHMGUSYOPI-UHFFFAOYSA-N -1 0 346.448 3.651 20 0 EHADRM C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1Cc1cc(C(=O)[O-])no1 ZINC001594665748 986961382 /nfs/dbraw/zinc/96/13/82/986961382.db2.gz KXLHAAKPVUNQOP-MRVPVSSYSA-N -1 0 341.194 3.799 20 0 EHADRM C[C@@H]1Sc2ccccc2N(C(=O)Cc2ccc(C(=O)[O-])cc2)[C@H]1C ZINC001594666718 986967960 /nfs/dbraw/zinc/96/79/60/986967960.db2.gz ZBNKMKVMTIUAJZ-STQMWFEESA-N -1 0 341.432 3.843 20 0 EHADRM CCOc1ccccc1CSCC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001597178358 987025149 /nfs/dbraw/zinc/02/51/49/987025149.db2.gz HKJLXSJZPNMJMX-UHFFFAOYSA-N -1 0 347.436 3.845 20 0 EHADRM C/C=C/C[C@H]1CCCN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)C1 ZINC001594686498 987066167 /nfs/dbraw/zinc/06/61/67/987066167.db2.gz XGAOKOAPFWKCOC-KZSQQDEKSA-N -1 0 330.428 3.914 20 0 EHADRM C/C=C\COc1cccc(CC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001594689802 987079138 /nfs/dbraw/zinc/07/91/38/987079138.db2.gz YFUJIISEBNKUDP-ARJAWSKDSA-N -1 0 339.391 3.829 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@H](O)C2CCCCCCC2)cc1 ZINC001589504516 987114618 /nfs/dbraw/zinc/11/46/18/987114618.db2.gz QYUXQLCCRSKIFS-SUMWQHHRSA-N -1 0 333.428 3.535 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CC[C@@H]2c2ccc(F)cc2)cc1 ZINC001589510540 987136743 /nfs/dbraw/zinc/13/67/43/987136743.db2.gz VQCCUXKJZHZEIR-SJKOYZFVSA-N -1 0 342.370 3.993 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cncc(C(F)(F)F)c2)cc1 ZINC001589521670 987168698 /nfs/dbraw/zinc/16/86/98/987168698.db2.gz RRBDJDCMMPPZEG-SECBINFHSA-N -1 0 338.285 3.541 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cnc(-c3ccco3)s2)cc1 ZINC001589521701 987168829 /nfs/dbraw/zinc/16/88/29/987168829.db2.gz SMGPBJASXYSBBI-SNVBAGLBSA-N -1 0 342.376 3.844 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cn(C)c3ccc(F)cc23)cc1 ZINC001589522094 987173959 /nfs/dbraw/zinc/17/39/59/987173959.db2.gz ZZZABTXVNYHIKW-NSHDSACASA-N -1 0 340.354 3.758 20 0 EHADRM CCC(=O)Nc1cccc(C(=O)Oc2ccc(Cl)cc2C(=O)[O-])c1 ZINC001594715637 987187535 /nfs/dbraw/zinc/18/75/35/987187535.db2.gz SISSZIZKBHFZFF-UHFFFAOYSA-N -1 0 347.754 3.606 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)N[C@@](C)(C2CC2)C(F)(F)F)c1 ZINC001589534159 987229381 /nfs/dbraw/zinc/22/93/81/987229381.db2.gz VBSVVZVNYGXZLD-VFZGTOFNSA-N -1 0 344.333 3.727 20 0 EHADRM CC[C@@H](C(=O)Nc1ccc(CC(=O)[O-])c(F)c1)c1ccc(F)cc1 ZINC001594736004 987274202 /nfs/dbraw/zinc/27/42/02/987274202.db2.gz UGTUXGSCBIJONL-OAHLLOKOSA-N -1 0 333.334 3.724 20 0 EHADRM CCSCc1ccc(C(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)cc1 ZINC001597265319 987295776 /nfs/dbraw/zinc/29/57/76/987295776.db2.gz PCVABMRGKOEGQW-KTXOBNNYSA-N -1 0 335.469 3.703 20 0 EHADRM CCSc1cc(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)ccn1 ZINC001597268472 987310420 /nfs/dbraw/zinc/31/04/20/987310420.db2.gz VCSQCVLLLAORMD-LLVKDONJSA-N -1 0 330.409 3.634 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)c1csc(C(=O)[O-])n1 ZINC001597273112 987326012 /nfs/dbraw/zinc/32/60/12/987326012.db2.gz QKYXIJXRIQFTLC-UHFFFAOYSA-N -1 0 342.829 3.859 20 0 EHADRM CCSc1cccc(F)c1NC(=O)N[C@@](C)(CC(=O)[O-])C1CC1 ZINC001597277315 987334076 /nfs/dbraw/zinc/33/40/76/987334076.db2.gz LSGDUOZTPMFWQQ-INIZCTEOSA-N -1 0 340.420 3.703 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001597288859 987374605 /nfs/dbraw/zinc/37/46/05/987374605.db2.gz WATGMRVDZNCGTP-OAHLLOKOSA-N -1 0 334.322 3.936 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)[C@H]1CCCCC1(F)F)c1ccccc1 ZINC001589591545 987397622 /nfs/dbraw/zinc/39/76/22/987397622.db2.gz LDOFQPPPAOTBJA-KGLIPLIRSA-N -1 0 339.382 3.780 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)N1CC[C@H]1C1CCCC1)c1ccccc1 ZINC001589592809 987404247 /nfs/dbraw/zinc/40/42/47/987404247.db2.gz CLCXRODZHCCOJN-DLBZAZTESA-N -1 0 344.455 3.813 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)N1CC[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC001589593951 987409069 /nfs/dbraw/zinc/40/90/69/987409069.db2.gz JXQACSKZVDRKTE-XIRDDKMYSA-N -1 0 344.455 3.813 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)N[C@@H]1CCCC2(CC2)C1)c1ccccc1 ZINC001589594742 987412334 /nfs/dbraw/zinc/41/23/34/987412334.db2.gz RJOJJQOXZGYPBU-HZPDHXFCSA-N -1 0 344.455 3.861 20 0 EHADRM C[C@H]1CC[C@H](NC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])CC1 ZINC001589598271 987418793 /nfs/dbraw/zinc/41/87/93/987418793.db2.gz IEPQJMFPSPGEKO-BPUTZDHNSA-N -1 0 332.444 3.716 20 0 EHADRM CC(C)(C(=O)[O-])N(Cc1ccccc1)C(=O)C[C@H]1CCCC1(F)F ZINC001589616580 987481871 /nfs/dbraw/zinc/48/18/71/987481871.db2.gz INMODXMWDSJPOH-CQSZACIVSA-N -1 0 339.382 3.704 20 0 EHADRM CCc1[nH]c(C(=O)N(C)[C@H](C)c2ccc(C)cc2)c(C)c1C(=O)[O-] ZINC001597354995 987500100 /nfs/dbraw/zinc/50/01/00/987500100.db2.gz WHGBQBSDJDXWNJ-CYBMUJFWSA-N -1 0 328.412 3.725 20 0 EHADRM CC[C@H]1CC[C@H](C(=O)NC[C@@H](Cc2cccc(C)c2)C(=O)[O-])CC1 ZINC001597356597 987506420 /nfs/dbraw/zinc/50/64/20/987506420.db2.gz ZRWYWGAQOGBJME-KBAYOESNSA-N -1 0 331.456 3.571 20 0 EHADRM CCc1[nH]c(C(=O)N2CC[C@@H](C)[C@H]2c2ccccc2)c(C)c1C(=O)[O-] ZINC001597357767 987509912 /nfs/dbraw/zinc/50/99/12/987509912.db2.gz JZNNPOUFSRLUDT-XIKOKIGWSA-N -1 0 340.423 3.807 20 0 EHADRM CCc1c2ccccc2oc1C(=O)Nc1cc(C)c(C(=O)[O-])c(C)n1 ZINC001597411751 987702274 /nfs/dbraw/zinc/70/22/74/987702274.db2.gz OJMPYESPRKEVMT-UHFFFAOYSA-N -1 0 338.363 3.958 20 0 EHADRM CC(C)(C(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21)[C@@H]1CCCCO1 ZINC001589680654 987704552 /nfs/dbraw/zinc/70/45/52/987704552.db2.gz IYTYHTYDEFGIAP-IRXDYDNUSA-N -1 0 346.423 3.901 20 0 EHADRM CCc1c(NCc2ccoc2C(=O)[O-])cnn1-c1ccccc1Cl ZINC001597419980 987729781 /nfs/dbraw/zinc/72/97/81/987729781.db2.gz RZEDWLIFRDKWEF-UHFFFAOYSA-N -1 0 345.786 3.991 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)/C=C/c1ccc(F)c2ccccc12 ZINC001589701208 987795647 /nfs/dbraw/zinc/79/56/47/987795647.db2.gz UYVLXQZLOXHDOB-KAMXEHQASA-N -1 0 343.398 3.998 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)CCCc1ccc(Cl)cc1 ZINC001589701378 987796391 /nfs/dbraw/zinc/79/63/91/987796391.db2.gz YXGFKTBGRPRDBA-CQSZACIVSA-N -1 0 325.836 3.668 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)Nc1cc(-n2cccc2)ccc1F ZINC001589702336 987798361 /nfs/dbraw/zinc/79/83/61/987798361.db2.gz CNEKDGABANILEO-HNNXBMFYSA-N -1 0 347.390 3.627 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2cc(C)cc(OC)c2C)s1 ZINC001597443561 987809684 /nfs/dbraw/zinc/80/96/84/987809684.db2.gz NGLSQNHGWSGWNV-UHFFFAOYSA-N -1 0 333.409 3.886 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2ccc3c(c2)C[C@H](C)O3)s1 ZINC001597445187 987816163 /nfs/dbraw/zinc/81/61/63/987816163.db2.gz HIIIBGFRADLCMT-VIFPVBQESA-N -1 0 331.393 3.584 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2ccc(OC(C)(C)C)cn2)s1 ZINC001597445522 987817309 /nfs/dbraw/zinc/81/73/09/987817309.db2.gz NFISTUKXLQPWQV-UHFFFAOYSA-N -1 0 348.424 3.833 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)CCOc1ccccc1 ZINC001597450586 987840635 /nfs/dbraw/zinc/84/06/35/987840635.db2.gz XSKYTNSIVZEWIW-AWEZNQCLSA-N -1 0 341.407 3.991 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)Cc1c(C)[nH]c2ccccc21 ZINC001597451538 987842512 /nfs/dbraw/zinc/84/25/12/987842512.db2.gz FUXGICZTXAPWDH-UHFFFAOYSA-N -1 0 336.391 3.918 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N(C)Cc1cc(Cl)cn1C ZINC001597451828 987844418 /nfs/dbraw/zinc/84/44/18/987844418.db2.gz AONSUCFDOZDMHR-UHFFFAOYSA-N -1 0 349.818 3.603 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)COc1ccc(Cl)cc1 ZINC001597452860 987852237 /nfs/dbraw/zinc/85/22/37/987852237.db2.gz ZBDPLSLAWKEXRI-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CC[C@@H]2CCCC[C@H]2C1 ZINC001597453078 987853450 /nfs/dbraw/zinc/85/34/50/987853450.db2.gz KVHHXYBALRESMB-HOCLYGCPSA-N -1 0 330.428 3.991 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N(CCOC)[C@H]1CC[C@H](C)C1 ZINC001597454100 987859723 /nfs/dbraw/zinc/85/97/23/987859723.db2.gz YSDATUUIIMSZEI-BBRMVZONSA-N -1 0 348.443 3.616 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NC(C)(C)c1c(C)noc1C ZINC001597456655 987864026 /nfs/dbraw/zinc/86/40/26/987864026.db2.gz KLMGPEGXOMURGD-UHFFFAOYSA-N -1 0 345.399 3.609 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cc(F)cc(Cl)c1N ZINC001597465586 987906861 /nfs/dbraw/zinc/90/68/61/987906861.db2.gz WVTNTRUKXUSSOM-UHFFFAOYSA-N -1 0 336.750 3.574 20 0 EHADRM CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001589728253 987928797 /nfs/dbraw/zinc/92/87/97/987928797.db2.gz GZIBLSQGMZRTMK-NRZIYFBUSA-N -1 0 333.428 3.960 20 0 EHADRM CC(C)(C)[C@H]1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CCO1 ZINC001589731417 987948100 /nfs/dbraw/zinc/94/81/00/987948100.db2.gz CQXPEMJGFMJEBZ-HUUCEWRRSA-N -1 0 325.836 3.603 20 0 EHADRM CC(C)(C)[C@H]1CCc2nc(NC(=O)CCCCC(=O)[O-])sc2C1 ZINC001589732155 987956279 /nfs/dbraw/zinc/95/62/79/987956279.db2.gz LISDANRWVYEZDM-NSHDSACASA-N -1 0 338.473 3.878 20 0 EHADRM CCc1cc(N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)ccc1C ZINC001597483239 987985266 /nfs/dbraw/zinc/98/52/66/987985266.db2.gz KEYXMUNKOFCNJF-HNNXBMFYSA-N -1 0 344.436 3.535 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)NC[C@@H](CC3CC3)C(=O)[O-])o2)cc1 ZINC001597492080 988024461 /nfs/dbraw/zinc/02/44/61/988024461.db2.gz JORKDYWCVHNOEP-MRXNPFEDSA-N -1 0 341.407 3.740 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001589743380 988026103 /nfs/dbraw/zinc/02/61/03/988026103.db2.gz LTJFDWWAHWRCTE-RYUDHWBXSA-N -1 0 349.324 3.722 20 0 EHADRM CCc1ccc(C(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)cc1CC ZINC001597502868 988069667 /nfs/dbraw/zinc/06/96/67/988069667.db2.gz JRTPXVXNINTFJB-IBGZPJMESA-N -1 0 339.435 3.627 20 0 EHADRM CCc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)c(O)c1 ZINC001597503744 988073554 /nfs/dbraw/zinc/07/35/54/988073554.db2.gz WZAUCKAMFBVGJA-UHFFFAOYSA-N -1 0 343.379 3.692 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC001597511598 988091813 /nfs/dbraw/zinc/09/18/13/988091813.db2.gz GCXXSHDNWOTWFM-BTYIYWSLSA-N -1 0 339.435 3.859 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001597511739 988092631 /nfs/dbraw/zinc/09/26/31/988092631.db2.gz GNMMAEFQRXTJTQ-RDTXWAMCSA-N -1 0 331.456 3.750 20 0 EHADRM CC(C)(C)C[C@@H]1CCN(C(=O)Nc2cccc(C(=O)[O-])n2)C1(C)C ZINC001589764690 988106688 /nfs/dbraw/zinc/10/66/88/988106688.db2.gz SEMAVTYGVGJJOM-LBPRGKRZSA-N -1 0 333.432 3.848 20 0 EHADRM CCc1ccc(CN(C)C(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC001597524737 988164426 /nfs/dbraw/zinc/16/44/26/988164426.db2.gz JJPRCTLDTDLLAJ-UHFFFAOYSA-N -1 0 340.423 3.930 20 0 EHADRM CCc1ccc(CN(CC(C)C)C(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC001597526357 988173524 /nfs/dbraw/zinc/17/35/24/988173524.db2.gz XRSOVORFNQUCAL-UHFFFAOYSA-N -1 0 328.412 3.574 20 0 EHADRM CCc1ccc(F)cc1C(=O)Oc1ccc(/C=C/C(=O)[O-])cc1OC ZINC001597530801 988189059 /nfs/dbraw/zinc/18/90/59/988189059.db2.gz PGHSDDCSTILDPQ-WEVVVXLNSA-N -1 0 344.338 3.714 20 0 EHADRM CSCCc1ccccc1NC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C ZINC001599802325 988197648 /nfs/dbraw/zinc/19/76/48/988197648.db2.gz XYUAZTIFJBMCBC-AWEZNQCLSA-N -1 0 338.473 3.603 20 0 EHADRM CSCc1cc(F)ccc1CN[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001599802727 988203424 /nfs/dbraw/zinc/20/34/24/988203424.db2.gz YABKOUMIUPNUII-SECBINFHSA-N -1 0 340.445 3.694 20 0 EHADRM CCc1ccc(NC(=O)C[C@@]2(C)CC2(Cl)Cl)c(C(=O)[O-])c1 ZINC001597543068 988236619 /nfs/dbraw/zinc/23/66/19/988236619.db2.gz QXDZWTAEOKOFSL-AWEZNQCLSA-N -1 0 330.211 3.860 20 0 EHADRM CCc1ccc(NC(=O)N(C)c2ccc(OCC(=O)[O-])cc2)cc1C ZINC001597545078 988245990 /nfs/dbraw/zinc/24/59/90/988245990.db2.gz PTEZFVADNXBJTA-UHFFFAOYSA-N -1 0 342.395 3.689 20 0 EHADRM CCc1ccc(NC(=O)Cc2c[nH]c3c2cccc3C)c(C(=O)[O-])c1 ZINC001597545450 988247919 /nfs/dbraw/zinc/24/79/19/988247919.db2.gz TZOYYXVISCFAPE-UHFFFAOYSA-N -1 0 336.391 3.918 20 0 EHADRM CSc1c(F)cccc1C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001599806368 988262459 /nfs/dbraw/zinc/26/24/59/988262459.db2.gz SIGVGOOQDVLYCH-UHFFFAOYSA-N -1 0 339.432 3.703 20 0 EHADRM CSc1c(F)cccc1C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC001599806535 988264808 /nfs/dbraw/zinc/26/48/08/988264808.db2.gz YMYXDGXFHPRJFY-CQSZACIVSA-N -1 0 339.432 3.701 20 0 EHADRM CCc1ccc(NC(=O)c2ccc(-c3ccccn3)nc2)c(C(=O)[O-])c1 ZINC001597550465 988267044 /nfs/dbraw/zinc/26/70/44/988267044.db2.gz CNGDWNHJYKQICE-UHFFFAOYSA-N -1 0 347.374 3.657 20 0 EHADRM CSc1cc(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])c(C)o1 ZINC001599807435 988278552 /nfs/dbraw/zinc/27/85/52/988278552.db2.gz MYWYPUOTGXLLCI-UHFFFAOYSA-N -1 0 325.773 3.914 20 0 EHADRM CSc1cc(C(=O)Nc2cc(F)cc(Cl)c2C(=O)[O-])co1 ZINC001599807440 988278630 /nfs/dbraw/zinc/27/86/30/988278630.db2.gz NHRGVLFEYBBJQW-UHFFFAOYSA-N -1 0 329.736 3.745 20 0 EHADRM CSc1cc(C)c(C(=O)Nc2ccc3c(c2)[nH]cc3C(=O)[O-])o1 ZINC001599808378 988293335 /nfs/dbraw/zinc/29/33/35/988293335.db2.gz FEQSTWNLOIQVPY-UHFFFAOYSA-N -1 0 330.365 3.742 20 0 EHADRM CSc1cc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)ccc1Cl ZINC001599809149 988304315 /nfs/dbraw/zinc/30/43/15/988304315.db2.gz VJNJWENTMCALSO-UWVGGRQHSA-N -1 0 327.833 3.891 20 0 EHADRM CCc1ccc2ccccc2c1CNC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001597568321 988323199 /nfs/dbraw/zinc/32/31/99/988323199.db2.gz FVIQUIFHXCUUSJ-UHFFFAOYSA-N -1 0 349.390 3.817 20 0 EHADRM CSc1ccc(C(=O)Nc2cccc(SCCC(=O)[O-])c2)o1 ZINC001599810489 988326191 /nfs/dbraw/zinc/32/61/91/988326191.db2.gz ZLWYMYDPLFJMFW-UHFFFAOYSA-N -1 0 337.422 3.821 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)CCc1c[nH]c2ccccc12 ZINC001597571294 988350679 /nfs/dbraw/zinc/35/06/79/988350679.db2.gz BENVXZBDNDFPDP-UHFFFAOYSA-N -1 0 336.391 4.000 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)c1oc(C(=O)[O-])cc1C ZINC001599814210 988391827 /nfs/dbraw/zinc/39/18/27/988391827.db2.gz IAZQMZZRJNRFGC-UHFFFAOYSA-N -1 0 325.773 3.914 20 0 EHADRM CCc1cccc(CC(=O)Oc2cc(/C=C\C(=O)[O-])ccc2OC)c1 ZINC001597585782 988398219 /nfs/dbraw/zinc/39/82/19/988398219.db2.gz WHPVVPGGPHFSBI-NTMALXAHSA-N -1 0 340.375 3.504 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1ccccc1OC(F)F ZINC001597590611 988412958 /nfs/dbraw/zinc/41/29/58/988412958.db2.gz AWNZHVTVAXOTCN-UHFFFAOYSA-N -1 0 335.306 3.801 20 0 EHADRM CSc1ccc(NC(=O)Cc2nc(C3CC3)cs2)cc1C(=O)[O-] ZINC001599815600 988417637 /nfs/dbraw/zinc/41/76/37/988417637.db2.gz OXNKCBPHOHNTRC-UHFFFAOYSA-N -1 0 348.449 3.622 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cnc([C@H]2CCCO2)s1 ZINC001597594176 988431381 /nfs/dbraw/zinc/43/13/81/988431381.db2.gz OAZFMECYPBHWKA-GFCCVEGCSA-N -1 0 346.408 3.508 20 0 EHADRM CSc1ccc(NC(=O)N[C@H]2CC[C@@H](SC)C2)cc1C(=O)[O-] ZINC001599817741 988455996 /nfs/dbraw/zinc/45/59/96/988455996.db2.gz JUHSYZBPSCDFKP-GXSJLCMTSA-N -1 0 340.470 3.512 20 0 EHADRM CCc1cccc2c1N(Cc1cc(C(=O)[O-])ccc1OC)CCC2 ZINC001597603207 988462198 /nfs/dbraw/zinc/46/21/98/988462198.db2.gz MMGNUNQQJPSIAK-UHFFFAOYSA-N -1 0 325.408 3.909 20 0 EHADRM CSc1ccc(NC(=O)NC[C@@H](CC(=O)[O-])C2CC2)cc1Cl ZINC001599819324 988483871 /nfs/dbraw/zinc/48/38/71/988483871.db2.gz UMTGQZJOOBRSJU-SNVBAGLBSA-N -1 0 342.848 3.684 20 0 EHADRM CSc1ccc(NC(=O)NC[C@H](CC(=O)[O-])C2CC2)cc1Cl ZINC001599819323 988483949 /nfs/dbraw/zinc/48/39/49/988483949.db2.gz UMTGQZJOOBRSJU-JTQLQIEISA-N -1 0 342.848 3.684 20 0 EHADRM CSc1ccc(O)c(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)c1 ZINC001599819961 988494998 /nfs/dbraw/zinc/49/49/98/988494998.db2.gz KUYZCODKZVBELA-UHFFFAOYSA-N -1 0 328.349 3.529 20 0 EHADRM CSc1ccc(NC[C@H]2C[C@]2(C)Br)cc1C(=O)[O-] ZINC001599820771 988509862 /nfs/dbraw/zinc/50/98/62/988509862.db2.gz LYOJIWBZHLLFOK-OQPBUACISA-N -1 0 330.247 3.692 20 0 EHADRM CSc1ccc([C@@H](C)NC(=O)NCc2cc(C)c(C(=O)[O-])o2)cc1 ZINC001599820769 988509946 /nfs/dbraw/zinc/50/99/46/988509946.db2.gz AEOSEPHABNNNJX-LLVKDONJSA-N -1 0 348.424 3.569 20 0 EHADRM CSc1cccc(N(C)Cc2ccccc2O[C@@H](C)C(=O)[O-])c1 ZINC001599821713 988525404 /nfs/dbraw/zinc/52/54/04/988525404.db2.gz FUQBERYVFZZBGH-ZDUSSCGKSA-N -1 0 331.437 3.897 20 0 EHADRM CSc1cccc(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)c1 ZINC001599822112 988532338 /nfs/dbraw/zinc/53/23/38/988532338.db2.gz MJTGRNQSKVLWFI-UHFFFAOYSA-N -1 0 336.438 3.939 20 0 EHADRM CC(C)(C)OC(=O)CCc1cccc(NCCC(C)(C)C(=O)[O-])c1 ZINC001589878044 988544336 /nfs/dbraw/zinc/54/43/36/988544336.db2.gz LGAZYNHGXJXGHA-UHFFFAOYSA-N -1 0 335.444 3.874 20 0 EHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC001597621949 988554685 /nfs/dbraw/zinc/55/46/85/988554685.db2.gz SOAGWVDXOOUNFB-VQTJNVASSA-N -1 0 349.430 3.636 20 0 EHADRM CCc1ccnc(C(=O)O[C@@H]2CCCc3cc(C(=O)[O-])ccc32)c1 ZINC001597622977 988566121 /nfs/dbraw/zinc/56/61/21/988566121.db2.gz HHSSQANBUVMSSV-QGZVFWFLSA-N -1 0 325.364 3.577 20 0 EHADRM CSc1ccccc1CN(C)C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001599824068 988566468 /nfs/dbraw/zinc/56/64/68/988566468.db2.gz PSCJPVYYCNIACV-UHFFFAOYSA-N -1 0 333.384 3.518 20 0 EHADRM CSc1ccccc1CN(C)Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001599824284 988570710 /nfs/dbraw/zinc/57/07/10/988570710.db2.gz VCBKJVYWKIYQLA-UHFFFAOYSA-N -1 0 341.436 3.615 20 0 EHADRM CSc1cccc(NC(=O)N[C@@H](CC(=O)[O-])Cc2ccccc2)c1 ZINC001599824768 988579075 /nfs/dbraw/zinc/57/90/75/988579075.db2.gz OUOUWQODWXQDIJ-OAHLLOKOSA-N -1 0 344.436 3.616 20 0 EHADRM CCc1nc(C(C)C)ccc1C(=O)Oc1ccc(C(=O)[O-])cc1OC ZINC001597652865 988701496 /nfs/dbraw/zinc/70/14/96/988701496.db2.gz UIZIAPAPZVKGAN-UHFFFAOYSA-N -1 0 343.379 3.693 20 0 EHADRM C[C@@H](C(=O)O[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-])c1ccccc1 ZINC001599833531 988708978 /nfs/dbraw/zinc/70/89/78/988708978.db2.gz OJNXBDGHYHWJRO-WBMJQRKESA-N -1 0 332.783 3.683 20 0 EHADRM C[C@@H](CC(=O)[O-])OC(=O)c1sc2ccccc2c1Br ZINC001599834596 988722688 /nfs/dbraw/zinc/72/26/88/988722688.db2.gz HKFFPKAVFADUAF-ZETCQYMHSA-N -1 0 343.198 3.684 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc2c(c1)[nH]cc2C(=O)[O-])c1ccc(F)cc1 ZINC001599839565 988801842 /nfs/dbraw/zinc/80/18/42/988801842.db2.gz SYXKJDAGDMZURC-SNVBAGLBSA-N -1 0 341.342 3.888 20 0 EHADRM CCc1nc(NC(=O)c2cc3cc(F)ccc3o2)sc1C(=O)[O-] ZINC001597681500 988814217 /nfs/dbraw/zinc/81/42/17/988814217.db2.gz DRJGZSDQQXZNEQ-UHFFFAOYSA-N -1 0 334.328 3.541 20 0 EHADRM C[C@@H](NCc1nc2cc(C(=O)[O-])ccc2[nH]1)c1ccccc1Cl ZINC001599841752 988850180 /nfs/dbraw/zinc/85/01/80/988850180.db2.gz IFERCOQBRIVTIP-SNVBAGLBSA-N -1 0 329.787 3.765 20 0 EHADRM CCc1nc2ccc(NC(=O)Cc3cccc(C(=O)[O-])c3)cc2s1 ZINC001597691619 988887399 /nfs/dbraw/zinc/88/73/99/988887399.db2.gz RMFYKKGSGQXBSK-UHFFFAOYSA-N -1 0 340.404 3.738 20 0 EHADRM C[C@@H](OC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(C(F)(F)F)nc1 ZINC001599846717 988945132 /nfs/dbraw/zinc/94/51/32/988945132.db2.gz XCGSUFDRKKEKTM-MXWKQRLJSA-N -1 0 345.317 3.596 20 0 EHADRM Cc1ccc(NC(=O)NO[C@@H]2CCCCO2)cc1NC(=O)C(C)(C)C ZINC000274823006 1015443042 /nfs/dbraw/zinc/44/30/42/1015443042.db2.gz YUPNCTZJIHGXIG-OAHLLOKOSA-N -1 0 349.431 3.559 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1CC(=O)[O-] ZINC001599859702 989148088 /nfs/dbraw/zinc/14/80/88/989148088.db2.gz SCTQAIPMMDHKSC-RKDXNWHRSA-N -1 0 331.199 3.568 20 0 EHADRM CCc1nocc1CN(C)C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC001597754477 989158685 /nfs/dbraw/zinc/15/86/85/989158685.db2.gz GYQRVEUEAIUYNB-UHFFFAOYSA-N -1 0 345.399 3.723 20 0 EHADRM C[C@@H]1CN(C(=O)c2csc(-c3ccc(Cl)cc3)c2)C[C@H]1C(=O)[O-] ZINC001599864277 989218224 /nfs/dbraw/zinc/21/82/24/989218224.db2.gz NAZRDVYKSFSFJK-QMTHXVAHSA-N -1 0 349.839 3.861 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN[C@H](c1cc(F)ccc1F)C(F)F ZINC001597767776 989226218 /nfs/dbraw/zinc/22/62/18/989226218.db2.gz UZAONRNQVVMJBL-CQSZACIVSA-N -1 0 345.292 3.914 20 0 EHADRM CCc1oc2ccccc2c1CC(=O)Nc1ccc(C(=O)[O-])s1 ZINC001597808365 989425874 /nfs/dbraw/zinc/42/58/74/989425874.db2.gz ZDEDSLDCTSZLGV-UHFFFAOYSA-N -1 0 329.377 3.936 20 0 EHADRM CCn1c(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc2ccccc21 ZINC001597839941 989533510 /nfs/dbraw/zinc/53/35/10/989533510.db2.gz KKOOZIQDICSFKH-UHFFFAOYSA-N -1 0 340.354 3.680 20 0 EHADRM CCn1c(C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)cc2ccccc21 ZINC001597841359 989541870 /nfs/dbraw/zinc/54/18/70/989541870.db2.gz ZRLLONKVHSUASH-KRWDZBQOSA-N -1 0 341.338 3.783 20 0 EHADRM CC(C)(C)OC(=O)n1cc(-c2cccc3n[nH]cc32)cc1C(=O)[O-] ZINC001590368951 989850084 /nfs/dbraw/zinc/85/00/84/989850084.db2.gz GLFDXMCWKUQZCL-UHFFFAOYSA-N -1 0 327.340 3.513 20 0 EHADRM CC(C)(C)OCCCN[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001590388553 989908381 /nfs/dbraw/zinc/90/83/81/989908381.db2.gz PJZUVDYGDXRCDX-ZDUSSCGKSA-N -1 0 333.350 3.783 20 0 EHADRM CC(C)(C)Oc1ccc(CCNC(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC001590409366 989946413 /nfs/dbraw/zinc/94/64/13/989946413.db2.gz IXJGXKSYLOTSHJ-UHFFFAOYSA-N -1 0 341.407 3.535 20 0 EHADRM CC(C)(C)Oc1ccc(CCNC(=O)c2ccsc2C(=O)[O-])cc1 ZINC001590410352 989952012 /nfs/dbraw/zinc/95/20/12/989952012.db2.gz UIHMLBRIIAFFJR-UHFFFAOYSA-N -1 0 347.436 3.596 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)Nc2cc(C(=O)[O-])cnc2Cl)c1 ZINC001590417021 989957937 /nfs/dbraw/zinc/95/79/37/989957937.db2.gz RXNAQEAASDOATL-UHFFFAOYSA-N -1 0 348.786 3.863 20 0 EHADRM CC(C)(C)SCCSCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001590430045 989991343 /nfs/dbraw/zinc/99/13/43/989991343.db2.gz ZJBINOSDTQIZGL-UHFFFAOYSA-N -1 0 327.471 3.588 20 0 EHADRM CC(C)(C)c1ccc(C(=O)NCc2ccc(Cl)c(C(=O)[O-])n2)cc1 ZINC001590475069 990048584 /nfs/dbraw/zinc/04/85/84/990048584.db2.gz FXQUKCGNYGLBMK-UHFFFAOYSA-N -1 0 346.814 3.661 20 0 EHADRM CC(C)(C)c1cccc(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC001590499075 990110998 /nfs/dbraw/zinc/11/09/98/990110998.db2.gz PVYNDGDZXKJFGZ-NRFANRHFSA-N -1 0 339.435 3.756 20 0 EHADRM CC(C)(C)c1cccc(C(=O)N2CCc3cc(C(=O)[O-])ccc3C2)c1 ZINC001590499468 990113072 /nfs/dbraw/zinc/11/30/72/990113072.db2.gz WNHXPSRAUJYLBW-UHFFFAOYSA-N -1 0 337.419 3.881 20 0 EHADRM CC(C)(C)c1ccc2[nH]c(C(=O)NCc3ccoc3C(=O)[O-])cc2c1 ZINC001590500721 990115820 /nfs/dbraw/zinc/11/58/20/990115820.db2.gz MKRMDBFWHOYURD-UHFFFAOYSA-N -1 0 340.379 3.687 20 0 EHADRM CC(C)(C)c1nc(C(=O)OCc2ccc(C(=O)[O-])cc2F)cs1 ZINC001590537842 990158778 /nfs/dbraw/zinc/15/87/78/990158778.db2.gz XNQICFICXRMRGH-UHFFFAOYSA-N -1 0 337.372 3.635 20 0 EHADRM CN(C(=O)C[C@@H]1OCc2cc(Cl)ccc21)c1ccccc1C(=O)[O-] ZINC001598010551 990176184 /nfs/dbraw/zinc/17/61/84/990176184.db2.gz JTBHFZNIRLIASX-INIZCTEOSA-N -1 0 345.782 3.663 20 0 EHADRM CC(C)(C)c1ncc(/C=C\C(=O)Oc2ccccc2CC(=O)[O-])s1 ZINC001590555894 990193960 /nfs/dbraw/zinc/19/39/60/990193960.db2.gz CDDWECRDAAKTNX-HJWRWDBZSA-N -1 0 345.420 3.687 20 0 EHADRM CC(C)(C)c1nccc(Nc2ccc(OCCCC(=O)[O-])cc2)n1 ZINC001590571490 990207694 /nfs/dbraw/zinc/20/76/94/990207694.db2.gz BBIHULPZNBEIEA-UHFFFAOYSA-N -1 0 329.400 3.761 20 0 EHADRM CN(C(=O)Nc1ccc(C(=O)[O-])cc1F)c1cccc2cc[nH]c21 ZINC001598057218 990324394 /nfs/dbraw/zinc/32/43/94/990324394.db2.gz UAIJYJCEUVNFEG-UHFFFAOYSA-N -1 0 327.315 3.674 20 0 EHADRM CN(C(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccc2cc[nH]c2c1 ZINC001598060652 990329912 /nfs/dbraw/zinc/32/99/12/990329912.db2.gz SAOSJKDMJCUQFL-UHFFFAOYSA-N -1 0 327.315 3.674 20 0 EHADRM CN(C(=O)c1cccc(C(=O)[O-])c1)c1nc2ccc(Cl)cc2s1 ZINC001598089450 990431239 /nfs/dbraw/zinc/43/12/39/990431239.db2.gz VPDYPLOIGWIXKD-UHFFFAOYSA-N -1 0 346.795 3.925 20 0 EHADRM CN(C(=O)c1ccsc1CC(=O)[O-])[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC001598095891 990447602 /nfs/dbraw/zinc/44/76/02/990447602.db2.gz AIBSENHQRUVLSY-AOOOYVTPSA-N -1 0 349.374 3.568 20 0 EHADRM CC(C)(CNC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])C1CC1 ZINC001590724158 990510426 /nfs/dbraw/zinc/51/04/26/990510426.db2.gz TWPCNIVXHGBSNB-OAHLLOKOSA-N -1 0 332.444 3.574 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(CCC(=O)[O-])cc1)CC(F)F ZINC001590734170 990526607 /nfs/dbraw/zinc/52/66/07/990526607.db2.gz AWJYTPWTULRXFD-UHFFFAOYSA-N -1 0 328.359 3.507 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(C(=O)[O-])c(F)c1)Cc1ccccc1 ZINC001590734436 990529690 /nfs/dbraw/zinc/52/96/90/990529690.db2.gz UFHIZTCXACRSKQ-UHFFFAOYSA-N -1 0 344.386 3.914 20 0 EHADRM CC(C)=C(C)CC(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC001590912437 990885828 /nfs/dbraw/zinc/88/58/28/990885828.db2.gz KEAMBTUMDGZJCJ-UHFFFAOYSA-N -1 0 325.355 3.515 20 0 EHADRM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2cccc(C(=O)[O-])c2Cl)c1 ZINC001599684736 990968990 /nfs/dbraw/zinc/96/89/90/990968990.db2.gz GWXSLDFSGXOWNK-UONOGXRCSA-N -1 0 345.782 3.789 20 0 EHADRM COc1cccc2[nH]c(-c3nc(-c4ccc(C(=O)[O-])cc4)no3)cc21 ZINC001599688688 991030447 /nfs/dbraw/zinc/03/04/47/991030447.db2.gz WHUCLCGFFQHHTA-UHFFFAOYSA-N -1 0 335.319 3.592 20 0 EHADRM CC(C)[C@H](C(=O)NC[C@H](CC1CCCC1)C(=O)[O-])c1ccc(F)cc1 ZINC001590957723 991042091 /nfs/dbraw/zinc/04/20/91/991042091.db2.gz QEJORLUFJUMQKO-WMZOPIPTSA-N -1 0 349.446 3.963 20 0 EHADRM COc1cccc2c1[C@H](C(=O)Nc1cccc(Cl)c1C(=O)[O-])CC2 ZINC001599689506 991043724 /nfs/dbraw/zinc/04/37/24/991043724.db2.gz HWEZECXPGBAJHC-LLVKDONJSA-N -1 0 345.782 3.715 20 0 EHADRM COc1cccc2c1CC[C@@H](Nc1ccc(C[C@H](C)C(=O)[O-])cc1)C2 ZINC001599689715 991047802 /nfs/dbraw/zinc/04/78/02/991047802.db2.gz LTHQYYLZAZHWBY-KBXCAEBGSA-N -1 0 339.435 3.928 20 0 EHADRM CC(C)[C@@H](CC1CCCCC1)C(=O)Nc1nc2n(c1C(=O)[O-])CCC2 ZINC001590980867 991135527 /nfs/dbraw/zinc/13/55/27/991135527.db2.gz LWFYQUMSXNVCSZ-CQSZACIVSA-N -1 0 347.459 3.709 20 0 EHADRM COc1ccccc1[C@@H](CC(C)C)NCc1ncc(C(=O)[O-])s1 ZINC001599697411 991168486 /nfs/dbraw/zinc/16/84/86/991168486.db2.gz FQGOPPHKPWACCO-CYBMUJFWSA-N -1 0 334.441 3.727 20 0 EHADRM COc1ccccc1[C@@H](CC(C)C)Nc1nc(C)cc(C(=O)[O-])n1 ZINC001599697547 991170494 /nfs/dbraw/zinc/17/04/94/991170494.db2.gz GPYLPUOMFSZKRT-CQSZACIVSA-N -1 0 329.400 3.691 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)Oc1cc(C(=O)[O-])cc(F)c1C ZINC001599698057 991177141 /nfs/dbraw/zinc/17/71/41/991177141.db2.gz LHXBJQKTAQQLKJ-LLVKDONJSA-N -1 0 346.354 3.940 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)Oc1cc(C(=O)[O-])cc(F)c1C ZINC001599698058 991177963 /nfs/dbraw/zinc/17/79/63/991177963.db2.gz LHXBJQKTAQQLKJ-NSHDSACASA-N -1 0 346.354 3.940 20 0 EHADRM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001590993953 991216616 /nfs/dbraw/zinc/21/66/16/991216616.db2.gz UZKRPOWALPNSSW-ZPUOCTKUSA-N -1 0 345.370 3.514 20 0 EHADRM CC(C)[C@@H](NC(=O)N1CC[C@H](C(=O)[O-])C1)c1ccc(C(C)(C)C)cc1 ZINC001591007397 991269643 /nfs/dbraw/zinc/26/96/43/991269643.db2.gz FFIXAVVACBYACO-DOTOQJQBSA-N -1 0 346.471 3.797 20 0 EHADRM CN(C)c1ccc(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)cc1 ZINC001598313840 991293138 /nfs/dbraw/zinc/29/31/38/991293138.db2.gz ZJWDKLXOCGNECA-UHFFFAOYSA-N -1 0 334.375 3.856 20 0 EHADRM COc1ccccc1CN(C)C(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001599709192 991341782 /nfs/dbraw/zinc/34/17/82/991341782.db2.gz OPOBRMHTCAROSG-UHFFFAOYSA-N -1 0 348.424 3.736 20 0 EHADRM CC(C)[C@H](Sc1ccccc1)C(=O)OC1CCC(C(=O)[O-])CC1 ZINC001591051865 991454178 /nfs/dbraw/zinc/45/41/78/991454178.db2.gz IUFFXMJABLHMBV-XUJLQICISA-N -1 0 336.453 3.990 20 0 EHADRM CC(C)[C@H](SCc1ccccc1)C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001591053057 991463353 /nfs/dbraw/zinc/46/33/53/991463353.db2.gz ZLCRDRMBARLYNE-QOKNQOGYSA-N -1 0 349.496 3.514 20 0 EHADRM CN(C)c1ncc(CNc2cccc3cc(C(=O)[O-])sc32)s1 ZINC001598359708 991494123 /nfs/dbraw/zinc/49/41/23/991494123.db2.gz ZZCVXUXWBUSQQM-UHFFFAOYSA-N -1 0 333.438 3.734 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2cccc(Cl)c2C(=O)[O-])CCO1 ZINC001591072520 991535887 /nfs/dbraw/zinc/53/58/87/991535887.db2.gz MWHDBGFDSBWOLB-FZMZJTMJSA-N -1 0 339.819 3.818 20 0 EHADRM COc1ccsc1/C=C(\C(=O)[O-])c1ncc(Br)s1 ZINC001599722521 991564993 /nfs/dbraw/zinc/56/49/93/991564993.db2.gz NBKOGKFTVTZRLL-XQRVVYSFSA-N -1 0 346.227 3.601 20 0 EHADRM CC(C)[C@H]1CCC[C@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC001591080774 991586321 /nfs/dbraw/zinc/58/63/21/991586321.db2.gz CVMBVZNNTQOMFH-QWRGUYRKSA-N -1 0 340.370 3.999 20 0 EHADRM CC(C)C1CCC(NC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)CC1 ZINC001591080894 991589092 /nfs/dbraw/zinc/58/90/92/991589092.db2.gz DVPBLQYNMGVUBO-PCKAHOCUSA-N -1 0 338.492 3.734 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)[C@@H]1C(C)C ZINC001591093262 991656291 /nfs/dbraw/zinc/65/62/91/991656291.db2.gz NGUDQUAYMCXKPW-FUHWJXTLSA-N -1 0 348.443 3.684 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2F)c2ccccc2N1 ZINC001591093331 991657406 /nfs/dbraw/zinc/65/74/06/991657406.db2.gz PTZFQLFHVDFERT-INIZCTEOSA-N -1 0 342.370 3.621 20 0 EHADRM CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1ccc(C(=O)[O-])o1 ZINC001591095583 991682518 /nfs/dbraw/zinc/68/25/18/991682518.db2.gz XIIJEMUODPBKQR-CXAGYDPISA-N -1 0 327.380 3.667 20 0 EHADRM CC(C)C[C@H](C)CC(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12 ZINC001591132726 991832048 /nfs/dbraw/zinc/83/20/48/991832048.db2.gz FDWJHZMYZOFVMR-ZDUSSCGKSA-N -1 0 344.411 3.709 20 0 EHADRM CC(C)C[C@H](C)OC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC001591138469 991858535 /nfs/dbraw/zinc/85/85/35/991858535.db2.gz YIXORSVQJVANQG-LBPRGKRZSA-N -1 0 344.411 3.795 20 0 EHADRM CC(C)C[C@@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001591177416 991971684 /nfs/dbraw/zinc/97/16/84/991971684.db2.gz DVMWNCBSFFIXGV-BFHYXJOUSA-N -1 0 343.345 3.630 20 0 EHADRM CC(C)CC1(C(=O)N[C@@H](C)c2ccc(OCC(=O)[O-])cc2)CCCC1 ZINC001591191614 992003434 /nfs/dbraw/zinc/00/34/34/992003434.db2.gz DDYNXQQDQPBMBR-HNNXBMFYSA-N -1 0 347.455 3.934 20 0 EHADRM CC(C)C[C@H]1OCCC[C@H]1Nc1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001591211335 992056221 /nfs/dbraw/zinc/05/62/21/992056221.db2.gz BMGDUITVYSOTNQ-CHWSQXEVSA-N -1 0 346.349 3.804 20 0 EHADRM CC(C)CC[C@H]1CCC[C@H]1NC(=O)NCCc1ccccc1C(=O)[O-] ZINC001591223346 992095539 /nfs/dbraw/zinc/09/55/39/992095539.db2.gz YAPHEEONCVBGTN-SJLPKXTDSA-N -1 0 346.471 3.831 20 0 EHADRM CC(C)CCCC(=O)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001591228101 992103016 /nfs/dbraw/zinc/10/30/16/992103016.db2.gz OHHAMWVGEDJQDD-CQSZACIVSA-N -1 0 331.334 3.774 20 0 EHADRM CC(C)CCOc1ccc(C(=O)N(C)C2(C(=O)[O-])CCCCC2)cc1 ZINC001591259050 992160601 /nfs/dbraw/zinc/16/06/01/992160601.db2.gz BEBRYKJJCLDETG-UHFFFAOYSA-N -1 0 347.455 3.971 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)N[C@](C)(CC(=O)[O-])C2CC2)cc1 ZINC001591260736 992169735 /nfs/dbraw/zinc/16/97/35/992169735.db2.gz MBNBQWBTJVIKGC-LJQANCHMSA-N -1 0 348.443 3.876 20 0 EHADRM CC(C)CCSCC(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC001591266528 992180414 /nfs/dbraw/zinc/18/04/14/992180414.db2.gz JKYSTTJGKKASCH-UHFFFAOYSA-N -1 0 344.502 3.857 20 0 EHADRM CC(C)CCSCC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001591266754 992182614 /nfs/dbraw/zinc/18/26/14/992182614.db2.gz RALNWNCWPZHNIV-UHFFFAOYSA-N -1 0 349.452 3.569 20 0 EHADRM CC(C)CCc1ccc(S(=O)(=O)Oc2ccc(C(=O)[O-])cc2)cc1 ZINC001591270510 992190102 /nfs/dbraw/zinc/19/01/02/992190102.db2.gz UKGAYCZALPODCS-UHFFFAOYSA-N -1 0 348.420 3.741 20 0 EHADRM CC(C)CN(C(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc(F)cn1 ZINC001591281542 992216881 /nfs/dbraw/zinc/21/68/81/992216881.db2.gz RSKWEXMDCASPHQ-UHFFFAOYSA-N -1 0 344.386 3.541 20 0 EHADRM CC(C)CN(C(=O)c1ccoc1CC(=O)[O-])c1cccc(Cl)c1 ZINC001591284594 992219683 /nfs/dbraw/zinc/21/96/83/992219683.db2.gz AWNHVKUOYXTHGP-UHFFFAOYSA-N -1 0 335.787 3.863 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC001591290709 992238348 /nfs/dbraw/zinc/23/83/48/992238348.db2.gz CPRKGFMZSXSWQM-GXTWGEPZSA-N -1 0 341.810 3.542 20 0 EHADRM CC(C)COC[C@@H](NCc1ccc(C(=O)[O-])c(F)c1)c1ccco1 ZINC001591390453 992443497 /nfs/dbraw/zinc/44/34/97/992443497.db2.gz FGKUAJZEGQFVED-MRXNPFEDSA-N -1 0 335.375 3.620 20 0 EHADRM CC(C)COc1cccc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC001591401769 992477081 /nfs/dbraw/zinc/47/70/81/992477081.db2.gz RSTRSORNQMLAHA-QGZVFWFLSA-N -1 0 328.364 3.704 20 0 EHADRM CN(Cc1cc(C(=O)[O-])ccc1Cl)Cc1c(F)cccc1F ZINC001598507604 992527788 /nfs/dbraw/zinc/52/77/88/992527788.db2.gz UNKYETUIIWSWFF-UHFFFAOYSA-N -1 0 325.742 3.948 20 0 EHADRM CN(Cc1ccc(-c2ccc(Cl)cc2)o1)c1cc(C(=O)[O-])ncn1 ZINC001598508798 992540109 /nfs/dbraw/zinc/54/01/09/992540109.db2.gz CXTSDSZCEJSKIT-UHFFFAOYSA-N -1 0 343.770 3.725 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cc(-c2ccccc2)ccn1 ZINC001598511881 992573237 /nfs/dbraw/zinc/57/32/37/992573237.db2.gz AHJSUDMCIVJJAB-UHFFFAOYSA-N -1 0 346.386 3.719 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)c1nnc(-c2ccccc2)s1 ZINC001598513728 992594637 /nfs/dbraw/zinc/59/46/37/992594637.db2.gz VPZOLYBNWYTGSU-UHFFFAOYSA-N -1 0 325.393 3.540 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)NC[C@@H](CC(=O)[O-])C2CC2)c1 ZINC001591488678 992617779 /nfs/dbraw/zinc/61/77/79/992617779.db2.gz IVVXDVJZXMEHFJ-RDTXWAMCSA-N -1 0 331.456 3.606 20 0 EHADRM CC(C)Cc1ccccc1C[S@](=O)[C@H](C)c1nc(C(=O)[O-])co1 ZINC001591490971 992626130 /nfs/dbraw/zinc/62/61/30/992626130.db2.gz QACVREFIDQCDLY-SPSFWMDKSA-N -1 0 335.425 3.581 20 0 EHADRM CC(C)Cc1ccccc1CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001591491034 992627157 /nfs/dbraw/zinc/62/71/57/992627157.db2.gz UHNGHFHOXIOIME-UHFFFAOYSA-N -1 0 343.467 3.927 20 0 EHADRM CC(C)N(C(=O)/C=C\c1cc(C(=O)[O-])co1)[C@H](C)c1ccccc1 ZINC001591538707 992717755 /nfs/dbraw/zinc/71/77/55/992717755.db2.gz KWIJRSOTUZLKIP-CFYYFVFUSA-N -1 0 327.380 3.989 20 0 EHADRM CC(C)N(C(=O)CC(C)(C)CC(=O)[O-])c1cnc2ccccc2c1 ZINC001591539044 992719306 /nfs/dbraw/zinc/71/93/06/992719306.db2.gz RRNAAVVMRRIBLS-UHFFFAOYSA-N -1 0 328.412 3.867 20 0 EHADRM CN(Cc1cccc(C(=O)[O-])c1Cl)C[C@@H]1OCCc2ccccc21 ZINC001598526862 992730356 /nfs/dbraw/zinc/73/03/56/992730356.db2.gz GWLRDMSIVQSVES-KRWDZBQOSA-N -1 0 345.826 3.784 20 0 EHADRM CN(Cc1ccccc1)c1ccc(Nc2cnc(C(=O)[O-])cn2)cc1 ZINC001598529567 992761777 /nfs/dbraw/zinc/76/17/77/992761777.db2.gz HFMSBHNDQHEIBG-UHFFFAOYSA-N -1 0 334.379 3.555 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)CCn1c2ccccc2c2ccccc21 ZINC001591565661 992773218 /nfs/dbraw/zinc/77/32/18/992773218.db2.gz XYQZQQAJRZCBPS-UHFFFAOYSA-N -1 0 338.407 3.506 20 0 EHADRM CN(Cc1cccnc1)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598530953 992779890 /nfs/dbraw/zinc/77/98/90/992779890.db2.gz JZGRJTNKCWLXJI-AWEZNQCLSA-N -1 0 325.195 3.646 20 0 EHADRM CN(Cc1nc2ccccc2s1)Cc1ccc(C(=O)[O-])cc1F ZINC001598537415 992856956 /nfs/dbraw/zinc/85/69/56/992856956.db2.gz BJFJIKQEIOUFJO-UHFFFAOYSA-N -1 0 330.384 3.766 20 0 EHADRM C[C@H](NC(=O)NCC1(CC(=O)[O-])CCCC1)[C@@H]1CC2CCC1CC2 ZINC001593087852 993696597 /nfs/dbraw/zinc/69/65/97/993696597.db2.gz APGHNNGZWIOMPA-LBDPXKHJSA-N -1 0 336.476 3.536 20 0 EHADRM COc1ccc(NC(=O)N2CCC[C@H]2c2cccs2)c(C(=O)[O-])c1 ZINC001599594534 993732267 /nfs/dbraw/zinc/73/22/67/993732267.db2.gz FAADRRKRSKMRLJ-AWEZNQCLSA-N -1 0 346.408 3.824 20 0 EHADRM COc1ccc(N[C@H](C)c2ncc(C(=O)[O-])s2)c2ncccc12 ZINC001599599676 993797594 /nfs/dbraw/zinc/79/75/94/993797594.db2.gz XEOFJSSEHMJKFP-SECBINFHSA-N -1 0 329.381 3.571 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(Cl)c(F)c1)c1ncc(C(=O)[O-])s1 ZINC001593117804 993818683 /nfs/dbraw/zinc/81/86/83/993818683.db2.gz VTIAKEQGULTXGX-LURJTMIESA-N -1 0 343.767 3.517 20 0 EHADRM C[C@H](NC(=O)Nc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593125380 993863790 /nfs/dbraw/zinc/86/37/90/993863790.db2.gz YEGSVTPNTXQFJY-GXTWGEPZSA-N -1 0 346.814 3.794 20 0 EHADRM C[C@@H](c1ccccc1)N(C)C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000339885522 1015815078 /nfs/dbraw/zinc/81/50/78/1015815078.db2.gz VPAKSSMFSZNHEZ-ZDUSSCGKSA-N -1 0 339.370 3.550 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)N[C@H](C)[C@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC001593142079 993935785 /nfs/dbraw/zinc/93/57/85/993935785.db2.gz QTFNUMQUVDMHEU-OWYHZJEWSA-N -1 0 345.483 3.897 20 0 EHADRM C[C@H](NC(=O)c1ccc(/C=C/C(=O)[O-])o1)c1ccc(Cl)c(F)c1 ZINC001593163594 994002527 /nfs/dbraw/zinc/00/25/27/994002527.db2.gz SIZOASLANWCLIY-IYNCYZAOSA-N -1 0 337.734 3.661 20 0 EHADRM COc1ccc(SCC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)cc1 ZINC001599618125 994045432 /nfs/dbraw/zinc/04/54/32/994045432.db2.gz BNLWPQUOBJNXPP-LBPRGKRZSA-N -1 0 345.420 3.614 20 0 EHADRM C[C@H](NC(=O)c1ccccc1CC(C)(C)C)c1ncc(C(=O)[O-])s1 ZINC001593179227 994061719 /nfs/dbraw/zinc/06/17/19/994061719.db2.gz PBQHLHFRVYDLEN-NSHDSACASA-N -1 0 346.452 3.921 20 0 EHADRM COc1ccc2c(c1)[C@H](C(=O)O[C@@H](C(=O)[O-])c1ccsc1)CCC2 ZINC001599625619 994143879 /nfs/dbraw/zinc/14/38/79/994143879.db2.gz OCBHTHQRERBUGA-GDBMZVCRSA-N -1 0 346.404 3.546 20 0 EHADRM COc1ccc2c(c1)C[C@H](Nc1ccc(CCC(=O)[O-])cc1)CC2 ZINC001599627138 994165352 /nfs/dbraw/zinc/16/53/52/994165352.db2.gz SMTPCIMMVGKOJC-GOSISDBHSA-N -1 0 325.408 3.682 20 0 EHADRM C[C@H](N[C@@H](C)c1c(F)cccc1F)c1ccc(OCC(=O)[O-])cc1 ZINC001593197918 994165973 /nfs/dbraw/zinc/16/59/73/994165973.db2.gz MGBUKTLXCQKDFK-RYUDHWBXSA-N -1 0 335.350 3.840 20 0 EHADRM C[C@@H](N[C@H](C)c1c(F)cccc1F)c1ccc(OCC(=O)[O-])cc1 ZINC001593197920 994166667 /nfs/dbraw/zinc/16/66/67/994166667.db2.gz MGBUKTLXCQKDFK-VXGBXAGGSA-N -1 0 335.350 3.840 20 0 EHADRM O=C(N[C@H]1CCC[C@H]1Cc1ccccc1)c1cc(F)c(F)c([O-])c1F ZINC000180041864 1015839364 /nfs/dbraw/zinc/83/93/64/1015839364.db2.gz QFJAKOUPLOUIPJ-WFASDCNBSA-N -1 0 349.352 3.951 20 0 EHADRM C[C@@H](N[C@@H](C)c1ncc(C(=O)[O-])s1)c1cnc2ccsc2c1 ZINC001593203018 994184399 /nfs/dbraw/zinc/18/43/99/994184399.db2.gz BYUUZWPDTQXDFK-BDAKNGLRSA-N -1 0 333.438 3.863 20 0 EHADRM COc1ccc2c(c1NC(=O)c1cc(C(=O)[O-])ccc1Cl)CCC2 ZINC001599633454 994251771 /nfs/dbraw/zinc/25/17/71/994251771.db2.gz BLMVRZPMUZMBAE-UHFFFAOYSA-N -1 0 345.782 3.788 20 0 EHADRM COc1cccc(-n2ccnc2SCc2csc(C(=O)[O-])c2)c1 ZINC001599641077 994360111 /nfs/dbraw/zinc/36/01/11/994360111.db2.gz QZOCNPHVNMZTID-UHFFFAOYSA-N -1 0 346.433 3.933 20 0 EHADRM COc1cccc(C(=O)Nc2nc(C3CCCC3)c(C(=O)[O-])s2)c1 ZINC001599642283 994376580 /nfs/dbraw/zinc/37/65/80/994376580.db2.gz BGJSQEPCWPCKOV-UHFFFAOYSA-N -1 0 346.408 3.760 20 0 EHADRM COc1cccc(C(=O)Nc2c(C)c(C(=O)[O-])ccc2Cl)c1F ZINC001599642701 994381285 /nfs/dbraw/zinc/38/12/85/994381285.db2.gz LYLDCDRDFIEZOR-UHFFFAOYSA-N -1 0 337.734 3.747 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)c1cccc(C(F)F)c1 ZINC001599643278 994388776 /nfs/dbraw/zinc/38/87/76/994388776.db2.gz FZVTVDORQWFHON-UHFFFAOYSA-N -1 0 335.306 3.608 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)c1ccc(Cl)cc1C ZINC001599643450 994390535 /nfs/dbraw/zinc/39/05/35/994390535.db2.gz JPVHJFJUXQIPBQ-UHFFFAOYSA-N -1 0 333.771 3.632 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1ccc(SC2CC2)cc1 ZINC001599644025 994398920 /nfs/dbraw/zinc/39/89/20/994398920.db2.gz SNPBBINISMWKJN-UHFFFAOYSA-N -1 0 344.388 3.867 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)/C=C(/C)c1ccc(F)cc1 ZINC001599644447 994404953 /nfs/dbraw/zinc/40/49/53/994404953.db2.gz AVUCGXCXRCJWLZ-QXMHVHEDSA-N -1 0 343.354 3.599 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)[C@@H]1C[C@H]1c1sccc1C ZINC001599644959 994412611 /nfs/dbraw/zinc/41/26/11/994412611.db2.gz FVTJSVREKHASRF-CHWSQXEVSA-N -1 0 345.420 3.530 20 0 EHADRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)C[C@@H](C)CC(C)(C)C)c1 ZINC001599652534 994527754 /nfs/dbraw/zinc/52/77/54/994527754.db2.gz PQQLXMXXGNSDJM-VLIAUNLRSA-N -1 0 349.471 3.964 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)O[C@@H](C)c2cc(C(=O)[O-])co2)c1 ZINC001599654983 994563525 /nfs/dbraw/zinc/56/35/25/994563525.db2.gz GLEKPGAEKFBYPH-RYUDHWBXSA-N -1 0 332.352 3.784 20 0 EHADRM COc1cccc([C@H](C)CC(=O)N[C@]2(C(=O)[O-])CCCC(C)(C)C2)c1 ZINC001599655037 994564211 /nfs/dbraw/zinc/56/42/11/994564211.db2.gz IBNHQGSNRFJAOS-JLTOFOAXSA-N -1 0 347.455 3.729 20 0 EHADRM COc1cccc([C@@H](OC(=O)c2oc(C(F)F)cc2C)C(=O)[O-])c1 ZINC001599660240 994644554 /nfs/dbraw/zinc/64/45/54/994644554.db2.gz CDCUYPGTVYQIRJ-CYBMUJFWSA-N -1 0 340.278 3.517 20 0 EHADRM COc1cccc(C)c1NC(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001599661414 994661872 /nfs/dbraw/zinc/66/18/72/994661872.db2.gz JTTAWSCXPIXLOI-UHFFFAOYSA-N -1 0 334.416 3.550 20 0 EHADRM C[C@H](NCc1cc(F)cc(Br)c1)c1cc(C(=O)[O-])co1 ZINC001593292825 994679971 /nfs/dbraw/zinc/67/99/71/994679971.db2.gz PEHHTILWJWTDQA-QMMMGPOBSA-N -1 0 342.164 3.730 20 0 EHADRM C[C@H](NCc1ccc(-c2ccccc2C(=O)[O-])o1)c1ccns1 ZINC001593293111 994682507 /nfs/dbraw/zinc/68/25/07/994682507.db2.gz SPMDVSADKRCDMJ-NSHDSACASA-N -1 0 328.393 3.952 20 0 EHADRM COc1cccc(C2(CNc3ncc(C(=O)[O-])cc3Cl)CC2)c1 ZINC001599663511 994692227 /nfs/dbraw/zinc/69/22/27/994692227.db2.gz VUEKQAOOZDZAOQ-UHFFFAOYSA-N -1 0 332.787 3.586 20 0 EHADRM C[C@H](NCc1ccc(Cl)c(C(=O)[O-])n1)c1cccc(F)c1F ZINC001593298498 994715357 /nfs/dbraw/zinc/71/53/57/994715357.db2.gz JVAXOPIROWUJAN-QMMMGPOBSA-N -1 0 326.730 3.562 20 0 EHADRM C[C@@H](NCc1ncc(Br)s1)c1cc(C(=O)[O-])cs1 ZINC001593316689 994813192 /nfs/dbraw/zinc/81/31/92/994813192.db2.gz JHZQKWHPMBSWMY-ZCFIWIBFSA-N -1 0 347.259 3.516 20 0 EHADRM CNc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)c(Cl)c1 ZINC001598678777 994891548 /nfs/dbraw/zinc/89/15/48/994891548.db2.gz SUBLXSRCEJCAKX-MRXNPFEDSA-N -1 0 346.814 3.554 20 0 EHADRM COc1cccc(CSCCOc2ccc(/C=C\C(=O)[O-])cc2)n1 ZINC001599676421 994905038 /nfs/dbraw/zinc/90/50/38/994905038.db2.gz HFXJQZZDAXJPHL-YFHOEESVSA-N -1 0 345.420 3.500 20 0 EHADRM C[C@H](Nc1cccc(CN(C)C(=O)OC(C)(C)C)c1)[C@H]1C[C@@H]1C(=O)[O-] ZINC001593365567 995041750 /nfs/dbraw/zinc/04/17/50/995041750.db2.gz BINUUKCINCXIHW-MAZHCROVSA-N -1 0 348.443 3.575 20 0 EHADRM C[C@@H](Nc1cccc([C@H]2CCC(=O)N2)c1)c1cc(C(=O)[O-])cs1 ZINC001593366095 995047906 /nfs/dbraw/zinc/04/79/06/995047906.db2.gz RCAHDAPMVKCBNA-QMTHXVAHSA-N -1 0 330.409 3.571 20 0 EHADRM C[C@@H](Nc1ncc(C(=O)[O-])cn1)[C@H](C)c1ccccc1C(F)(F)F ZINC001593374669 995075169 /nfs/dbraw/zinc/07/51/69/995075169.db2.gz UYQXZUHNEJIXFQ-VHSXEESVSA-N -1 0 339.317 3.798 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)CC2CCC(C)(C)CC2)cc1 ZINC000683295637 1015929310 /nfs/dbraw/zinc/92/93/10/1015929310.db2.gz AEHQPVCIEFNXGT-QGZVFWFLSA-N -1 0 347.455 3.934 20 0 EHADRM CC(C)c1cccc(OCC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000327044235 1015931353 /nfs/dbraw/zinc/93/13/53/1015931353.db2.gz LIESBIUEYRLHAK-INIZCTEOSA-N -1 0 347.455 3.538 20 0 EHADRM COC(=O)[C@H](SCCSC(C)(C)C)c1cccc(C(=O)[O-])c1 ZINC001598710733 995345197 /nfs/dbraw/zinc/34/51/97/995345197.db2.gz GTZLKABDQZDVKR-CYBMUJFWSA-N -1 0 342.482 3.864 20 0 EHADRM C[C@H](OC(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1)C(=O)[O-] ZINC001593490551 995456584 /nfs/dbraw/zinc/45/65/84/995456584.db2.gz DTPNHDUOMNCPOH-XHDPSFHLSA-N -1 0 334.368 3.675 20 0 EHADRM C[C@@H](OC(=O)CC1CCC(C(F)(F)F)CC1)c1nc(C(=O)[O-])co1 ZINC001593513263 995522276 /nfs/dbraw/zinc/52/22/76/995522276.db2.gz CDVNLYKQYTZBIG-XNWIYYODSA-N -1 0 349.305 3.736 20 0 EHADRM C[C@H](OC(=O)CCCOCc1ccccc1)c1cc(C(=O)[O-])co1 ZINC001593514583 995533354 /nfs/dbraw/zinc/53/33/54/995533354.db2.gz JJAWRWIXWRZFLJ-ZDUSSCGKSA-N -1 0 332.352 3.579 20 0 EHADRM C[C@@H](OC(=O)CCCOc1ccccc1F)c1ccc(C(=O)[O-])o1 ZINC001593526440 995568805 /nfs/dbraw/zinc/56/88/05/995568805.db2.gz XOFBUPHCUWRFDX-LLVKDONJSA-N -1 0 336.315 3.580 20 0 EHADRM C[C@@H](OC(=O)Cc1cc2cc(Cl)ccc2[nH]1)c1cc(C(=O)[O-])co1 ZINC001593534505 995588995 /nfs/dbraw/zinc/58/89/95/995588995.db2.gz APYXZWHWUYVYRA-SECBINFHSA-N -1 0 347.754 3.959 20 0 EHADRM C[C@H](OC(=O)Cc1cccc(C(=O)[O-])c1)c1csc(C2CC2)n1 ZINC001593536913 995598707 /nfs/dbraw/zinc/59/87/07/995598707.db2.gz BKOMUMBSPHKNMF-JTQLQIEISA-N -1 0 331.393 3.566 20 0 EHADRM C[C@H](OC(=O)c1cc(O)ccc1C(F)(F)F)c1ccc(C(=O)[O-])o1 ZINC001593564991 995658522 /nfs/dbraw/zinc/65/85/22/995658522.db2.gz OBSLSFLBSRGHOZ-ZETCQYMHSA-N -1 0 344.241 3.620 20 0 EHADRM C[C@@H](c1nc2ccccc2s1)[C@H](C)OC(=O)c1ccc(C(=O)[O-])o1 ZINC001593574737 995679329 /nfs/dbraw/zinc/67/93/29/995679329.db2.gz LBQYXKLJBVFNHJ-ZJUUUORDSA-N -1 0 345.376 3.937 20 0 EHADRM C[C@H](OC(=O)c1ccc(F)c2ccncc12)c1cc(C(=O)[O-])co1 ZINC001593579473 995694981 /nfs/dbraw/zinc/69/49/81/995694981.db2.gz ZRQAEVUQPLFDBW-VIFPVBQESA-N -1 0 329.283 3.583 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@H](C)Oc2ccc(F)c(F)c2)cc1 ZINC001593620621 995870580 /nfs/dbraw/zinc/87/05/80/995870580.db2.gz KTQHJXLRSQXKMB-MNOVXSKESA-N -1 0 349.333 3.559 20 0 EHADRM C[C@H](Oc1ccccc1CN1CCCc2c(F)cccc21)C(=O)[O-] ZINC001593645320 995973339 /nfs/dbraw/zinc/97/33/39/995973339.db2.gz IYRRBOGBFVRWJX-ZDUSSCGKSA-N -1 0 329.371 3.630 20 0 EHADRM C[C@H](SCc1cccc(C(=O)[O-])c1)C(=O)N[C@H]1CCCC[C@@H]1C ZINC001593661610 996038957 /nfs/dbraw/zinc/03/89/57/996038957.db2.gz IZVFVYKNYVAEBL-XEZPLFJOSA-N -1 0 335.469 3.701 20 0 EHADRM C[C@@H](SCc1ccc(C(=O)[O-])cc1)C(=O)NCC1CCCCC1 ZINC001593661895 996040139 /nfs/dbraw/zinc/04/01/39/996040139.db2.gz RAZQYKQEVHQRFZ-CYBMUJFWSA-N -1 0 335.469 3.703 20 0 EHADRM C[C@@H](SCc1nccn1Cc1ccccc1)c1nc(C(=O)[O-])co1 ZINC001593663890 996046857 /nfs/dbraw/zinc/04/68/57/996046857.db2.gz BBDJGRWRMQVSHV-GFCCVEGCSA-N -1 0 343.408 3.612 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC001593663954 996047649 /nfs/dbraw/zinc/04/76/49/996047649.db2.gz FBQFQAWXBBUQGW-IJLUTSLNSA-N -1 0 341.860 3.532 20 0 EHADRM C[C@@H](SCc1noc(CCC(=O)[O-])n1)c1ccc2c(c1)CCC2 ZINC001593664118 996048838 /nfs/dbraw/zinc/04/88/38/996048838.db2.gz HRPHRIHIEBBYAU-LLVKDONJSA-N -1 0 332.425 3.570 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NCC(C)(C)C1CCC1)C(=O)[O-] ZINC001593668414 996063454 /nfs/dbraw/zinc/06/34/54/996063454.db2.gz BGWFUGICLUJWPZ-LBPRGKRZSA-N -1 0 335.469 3.808 20 0 EHADRM CC(C)c1coc(NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])n1 ZINC001593672245 996074629 /nfs/dbraw/zinc/07/46/29/996074629.db2.gz NBFSAEOTRNXAAE-JTQLQIEISA-N -1 0 334.397 3.616 20 0 EHADRM C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2[nH]nc(C(=O)[O-])c2C1 ZINC001593694498 996150693 /nfs/dbraw/zinc/15/06/93/996150693.db2.gz XCSVUEQQGKJWEN-QMMMGPOBSA-N -1 0 340.210 3.534 20 0 EHADRM Cc1ccc(CCC(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000080250268 1016015563 /nfs/dbraw/zinc/01/55/63/1016015563.db2.gz VVZRWQOEAHOUIB-UHFFFAOYSA-N -1 0 327.789 3.519 20 0 EHADRM C[C@H](c1ccccc1F)N(C)Cc1cc(C(=O)[O-])c2n1CCCC2 ZINC001593717543 996235736 /nfs/dbraw/zinc/23/57/36/996235736.db2.gz MNJJEIIKJXVTMM-CYBMUJFWSA-N -1 0 330.403 3.855 20 0 EHADRM C[C@]1(C(=O)Nc2cc(C(=O)[O-])c(F)cc2Br)C=CCC1 ZINC001593758724 996414036 /nfs/dbraw/zinc/41/40/36/996414036.db2.gz SWHUZSWDQFFCEC-AWEZNQCLSA-N -1 0 342.164 3.581 20 0 EHADRM C[C@]1(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)CCOc2ccccc21 ZINC001593758962 996415057 /nfs/dbraw/zinc/41/50/57/996415057.db2.gz YTFHREGOJGNMSY-SFHVURJKSA-N -1 0 345.782 3.717 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@H](c2ccccc2)C2CCCC2)C1 ZINC001593769278 996456072 /nfs/dbraw/zinc/45/60/72/996456072.db2.gz RGGQGAXHARUDQC-YLJYHZDGSA-N -1 0 344.455 3.814 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(c2nnc(-c3ccccc3Cl)s2)C1 ZINC001593783076 996492022 /nfs/dbraw/zinc/49/20/22/996492022.db2.gz JARAABVPKOOLOO-OAHLLOKOSA-N -1 0 337.832 3.550 20 0 EHADRM COC(=O)C[C@@H](C)S[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001598838935 996508678 /nfs/dbraw/zinc/50/86/78/996508678.db2.gz OAZFTEUYHZSLRJ-PRHODGIISA-N -1 0 336.331 3.516 20 0 EHADRM CC1(C)CC(CNC(=O)NC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)C1 ZINC001593854115 996634653 /nfs/dbraw/zinc/63/46/53/996634653.db2.gz RODRDHUMKSVQQG-INIZCTEOSA-N -1 0 344.455 3.540 20 0 EHADRM CC1(C)C[C@@H](OC(=O)c2cccc(CC(=O)[O-])c2)c2ccccc2O1 ZINC001593864055 996665049 /nfs/dbraw/zinc/66/50/49/996665049.db2.gz PBHVSMLOWLSYME-QGZVFWFLSA-N -1 0 340.375 3.773 20 0 EHADRM CC1(C)C[C@H](c2ccccc2)CN1C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001593864521 996666691 /nfs/dbraw/zinc/66/66/91/996666691.db2.gz WKABQSUMHVGDHY-FDMDGMSGSA-N -1 0 339.391 3.786 20 0 EHADRM CC1(C)C[C@]1(NC(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccccc1 ZINC001593869136 996676864 /nfs/dbraw/zinc/67/68/64/996676864.db2.gz USARYPYKJZUHJR-IBGZPJMESA-N -1 0 342.370 3.971 20 0 EHADRM CC1(C)CC[C@H](c2noc([C@H]3CC[C@@H](C(=O)[O-])O3)n2)c2ccccc21 ZINC001593883832 996718707 /nfs/dbraw/zinc/71/87/07/996718707.db2.gz VSSJBFBCPDMTPK-CFVMTHIKSA-N -1 0 342.395 3.578 20 0 EHADRM CC1(C)CCC[C@@](NC(=O)c2ccc3c(c2)CCC=C3)(C(=O)[O-])C1 ZINC001593891321 996735954 /nfs/dbraw/zinc/73/59/54/996735954.db2.gz BHRGBIAVKAXPKT-FQEVSTJZSA-N -1 0 327.424 3.799 20 0 EHADRM CC1(C)CCC[C@@H]1[C@@H]1CCN(C(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC001593896954 996756607 /nfs/dbraw/zinc/75/66/07/996756607.db2.gz GLCWRIQNGQZIGJ-IAGOWNOFSA-N -1 0 329.440 3.602 20 0 EHADRM CC1(C)CCC[C@@H]1C(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001593897752 996758602 /nfs/dbraw/zinc/75/86/02/996758602.db2.gz QFKVNKQPMVAGCE-SNVBAGLBSA-N -1 0 340.217 3.912 20 0 EHADRM CC1(C)CCC[C@H]1[C@@H]1CCN(C(=O)Nc2ccc(CC(=O)[O-])cc2)C1 ZINC001593898733 996761692 /nfs/dbraw/zinc/76/16/92/996761692.db2.gz WMDLNYUVSKAJFL-WBVHZDCISA-N -1 0 344.455 3.994 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)CCc1ccc(C)c(Cl)c1 ZINC001599379128 996803935 /nfs/dbraw/zinc/80/39/35/996803935.db2.gz VZJCKPPBJCNMNZ-UHFFFAOYSA-N -1 0 348.782 3.893 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)c1F ZINC001599489011 996905627 /nfs/dbraw/zinc/90/56/27/996905627.db2.gz BFUGHPUSEMYECH-YJYMSZOUSA-N -1 0 343.354 3.665 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@H](C)Cc2ccccc2Cl)c1 ZINC001599489962 996920094 /nfs/dbraw/zinc/92/00/94/996920094.db2.gz QNQACTLBZIUSND-LLVKDONJSA-N -1 0 347.798 3.864 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)c2coc(C3CCCCC3)n2)c1 ZINC001599492710 996968739 /nfs/dbraw/zinc/96/87/39/996968739.db2.gz TVQOBUATUDHRLC-UHFFFAOYSA-N -1 0 345.351 3.648 20 0 EHADRM COCc1cc(NC(=O)N[C@H]2CCC[C@@H]2C(C)(C)C)cc(C(=O)[O-])c1 ZINC001599287419 997004400 /nfs/dbraw/zinc/00/44/00/997004400.db2.gz MZMZRMNTWKAXIS-HOTGVXAUSA-N -1 0 348.443 3.868 20 0 EHADRM CC1(C)CO[C@@H](CC(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)C1 ZINC001593952507 997021661 /nfs/dbraw/zinc/02/16/61/997021661.db2.gz BMCMVRUQYQRXQO-LBPRGKRZSA-N -1 0 333.409 3.743 20 0 EHADRM COCc1cc(NCc2ccc3nc(C)ccc3c2)cc(C(=O)[O-])c1 ZINC001599289600 997040593 /nfs/dbraw/zinc/04/05/93/997040593.db2.gz IRPRLSHTABLTAM-UHFFFAOYSA-N -1 0 336.391 4.000 20 0 EHADRM COCc1cc(NCc2cccc(OC)c2Cl)cc(C(=O)[O-])c1 ZINC001599289924 997046940 /nfs/dbraw/zinc/04/69/40/997046940.db2.gz RDTOEKDSQDIWGU-UHFFFAOYSA-N -1 0 335.787 3.805 20 0 EHADRM COc1ccc(C(=O)[O-])cc1CSc1ncnc2ccsc21 ZINC001599499345 997084293 /nfs/dbraw/zinc/08/42/93/997084293.db2.gz CQXVQAWEPILUIL-UHFFFAOYSA-N -1 0 332.406 3.690 20 0 EHADRM COCc1cccc(CN2CCC[C@H]2c2nc(C(=O)[O-])c(C)s2)c1 ZINC001599295661 997136574 /nfs/dbraw/zinc/13/65/74/997136574.db2.gz BYFPEDSMXFYWSR-HNNXBMFYSA-N -1 0 346.452 3.633 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)/C=C(\C)c1ccccc1 ZINC001599396770 997140345 /nfs/dbraw/zinc/14/03/45/997140345.db2.gz RDTHSDQOBGHKIE-HUJVCGDBSA-N -1 0 338.359 3.802 20 0 EHADRM COC1(CNC(=O)Nc2cccc3cc(C(=O)[O-])sc32)CCCC1 ZINC001599090203 997177090 /nfs/dbraw/zinc/17/70/90/997177090.db2.gz QYXFDLAPWLPZOV-UHFFFAOYSA-N -1 0 348.424 3.680 20 0 EHADRM COCc1cccc(CSCCOc2ccccc2C(=O)[O-])c1 ZINC001599298237 997185898 /nfs/dbraw/zinc/18/58/98/997185898.db2.gz OUKDIQPLUMIYBR-UHFFFAOYSA-N -1 0 332.421 3.843 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)[C@H]1CCC=CCCC1 ZINC001599399804 997194707 /nfs/dbraw/zinc/19/47/07/997194707.db2.gz OZVKGNQSJYONNF-KGOZZKSGSA-N -1 0 330.380 3.835 20 0 EHADRM COc1ccc(C(=O)Oc2cccc3c(CC(=O)[O-])cccc23)cc1 ZINC001599505388 997202865 /nfs/dbraw/zinc/20/28/65/997202865.db2.gz LQVDXGDVEZWPGF-UHFFFAOYSA-N -1 0 336.343 3.695 20 0 EHADRM CC1(C)[C@H](C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])[C@H]1c1ccccc1 ZINC001593987211 997227062 /nfs/dbraw/zinc/22/70/62/997227062.db2.gz LFVYBXVKXNKYQA-KURKYZTESA-N -1 0 343.467 3.824 20 0 EHADRM COc1cc(CC(=O)Oc2ccc(Cl)cc2C(=O)[O-])ccc1C ZINC001599402068 997232184 /nfs/dbraw/zinc/23/21/84/997232184.db2.gz PNEJJEHGGNVHQI-UHFFFAOYSA-N -1 0 334.755 3.503 20 0 EHADRM C[C@@]1(CC(=O)Oc2ccc(Cl)cc2C(=O)[O-])CC1(Cl)Cl ZINC001593997547 997315160 /nfs/dbraw/zinc/31/51/60/997315160.db2.gz AZBKAFJENUVUKN-GFCCVEGCSA-N -1 0 337.586 3.918 20 0 EHADRM CC1(CC(=O)OCC(=O)c2c[nH]c3ccc(C(=O)[O-])cc23)CCCC1 ZINC001593997574 997316120 /nfs/dbraw/zinc/31/61/20/997316120.db2.gz BHYXSZMCXVXDMP-UHFFFAOYSA-N -1 0 343.379 3.562 20 0 EHADRM CC1(CC(=O)Nc2nc3c(s2)CC[C@@H](C(=O)[O-])C3)CCCCC1 ZINC001593998309 997324986 /nfs/dbraw/zinc/32/49/86/997324986.db2.gz LUPDLEAEMNLCSI-LLVKDONJSA-N -1 0 336.457 3.632 20 0 EHADRM CC1(CC(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)F)CCCC1 ZINC001593998676 997331722 /nfs/dbraw/zinc/33/17/22/997331722.db2.gz YHFVCNHGIUPTDL-UHFFFAOYSA-N -1 0 341.354 3.938 20 0 EHADRM COc1cc(CNC(=O)Nc2ccccc2C(C)C)ccc1C(=O)[O-] ZINC001599411663 997433476 /nfs/dbraw/zinc/43/34/76/997433476.db2.gz DXWUZPTVFQJBKU-UHFFFAOYSA-N -1 0 342.395 3.839 20 0 EHADRM CON(CCOc1ccc(/C=C/C(=O)[O-])cc1)C[C@@H]1CCC[C@H](C)C1 ZINC001599318257 997535897 /nfs/dbraw/zinc/53/58/97/997535897.db2.gz GBAPERHLZWYCCN-KDVLCQBISA-N -1 0 347.455 3.853 20 0 EHADRM COc1cc(CNc2ncc(C(=O)[O-])cc2C(F)(F)F)ccc1C ZINC001599418489 997552103 /nfs/dbraw/zinc/55/21/03/997552103.db2.gz MWJVYABKORINDL-UHFFFAOYSA-N -1 0 340.301 3.728 20 0 EHADRM COc1cc(Cl)c(C)cc1NC(=O)c1cccc(CC(=O)[O-])c1 ZINC001599418582 997554054 /nfs/dbraw/zinc/55/40/54/997554054.db2.gz JYXJGWVFKFMQGL-UHFFFAOYSA-N -1 0 333.771 3.536 20 0 EHADRM COc1cc(Cl)c(Cl)cc1C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC001599418800 997557136 /nfs/dbraw/zinc/55/71/36/997557136.db2.gz NZXILDQFPLBBOJ-UHFFFAOYSA-N -1 0 343.166 3.589 20 0 EHADRM COc1cc(Cl)c(F)c(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)c1 ZINC001599419373 997566779 /nfs/dbraw/zinc/56/67/79/997566779.db2.gz GPPDTPPVQFMRAE-UHFFFAOYSA-N -1 0 348.717 3.903 20 0 EHADRM COc1cc(Cl)ccc1-c1noc(Cc2ccccc2C(=O)[O-])n1 ZINC001599421028 997594280 /nfs/dbraw/zinc/59/42/80/997594280.db2.gz XKPDQCWFDGVTRV-UHFFFAOYSA-N -1 0 344.754 3.688 20 0 EHADRM COc1cc(Cl)ccc1COC(=O)c1ccc(C(=O)[O-])cc1F ZINC001599421546 997603532 /nfs/dbraw/zinc/60/35/32/997603532.db2.gz WSQGVMPAYUAUEL-UHFFFAOYSA-N -1 0 338.718 3.543 20 0 EHADRM CO[C@@H]1CCC[C@H](CC(=O)Nc2cc(F)cc(Cl)c2C(=O)[O-])C1 ZINC001599113345 997609224 /nfs/dbraw/zinc/60/92/24/997609224.db2.gz RSUDQHVZCVWWGP-GXSJLCMTSA-N -1 0 343.782 3.711 20 0 EHADRM COc1cc(F)c(C(=O)Nc2cc(C(=O)[O-])ccc2C)c(Cl)c1 ZINC001599422387 997615666 /nfs/dbraw/zinc/61/56/66/997615666.db2.gz VYVBKGVEDKUKBW-UHFFFAOYSA-N -1 0 337.734 3.747 20 0 EHADRM CO[C@@H]1CCC[C@H](CC(=O)Oc2cc(Cl)ccc2C(=O)[O-])C1 ZINC001599114133 997621944 /nfs/dbraw/zinc/62/19/44/997621944.db2.gz XFSWBWTZAIBTEK-CMPLNLGQSA-N -1 0 326.776 3.539 20 0 EHADRM C[C@@]1(Cc2ccccc2)CCCN1C(=O)NCCCCCCC(=O)[O-] ZINC001594041538 997663514 /nfs/dbraw/zinc/66/35/14/997663514.db2.gz MUCOMZHUOLUHDV-FQEVSTJZSA-N -1 0 346.471 3.828 20 0 EHADRM C[C@]1(Cc2cccc3ccccc32)CCCN1c1ccnc(C(=O)[O-])n1 ZINC001594041514 997663982 /nfs/dbraw/zinc/66/39/82/997663982.db2.gz LNNYHZWVHXLGSY-OAQYLSRUSA-N -1 0 347.418 3.930 20 0 EHADRM C[C@]1(Cc2noc([C@@H]3CCC[C@@H](C(=O)[O-])C3)n2)CC1(Cl)Cl ZINC001594044068 997685578 /nfs/dbraw/zinc/68/55/78/997685578.db2.gz WVEUSTAJGWPFAV-KKFJDGPESA-N -1 0 333.215 3.554 20 0 EHADRM COc1ccc([C@@H](NCc2ccsc2C(=O)[O-])c2ccco2)cc1 ZINC001599532740 997687331 /nfs/dbraw/zinc/68/73/31/997687331.db2.gz VKKVVHPQSSJTCZ-MRXNPFEDSA-N -1 0 343.404 3.927 20 0 EHADRM CC1(F)CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)CC1 ZINC001594046648 997704582 /nfs/dbraw/zinc/70/45/82/997704582.db2.gz AKFWUZXBLOBZJM-UHFFFAOYSA-N -1 0 334.416 3.832 20 0 EHADRM COc1c(C)cc(C(=O)Oc2cc(C(=O)[O-])cc(F)c2C)cc1C ZINC001599331668 997758665 /nfs/dbraw/zinc/75/86/65/997758665.db2.gz OZQWOFPBAGADKY-UHFFFAOYSA-N -1 0 332.327 3.677 20 0 EHADRM COc1cc(NC(=O)CC2CCC(C)(C)CC2)c(C(=O)[O-])cc1OC ZINC001599431162 997761422 /nfs/dbraw/zinc/76/14/22/997761422.db2.gz KSLXMDUDCFTRFE-UHFFFAOYSA-N -1 0 349.427 3.947 20 0 EHADRM C[C@]1(NC(=O)c2cnc(Cl)c3ccccc23)CCCC[C@H]1C(=O)[O-] ZINC001594055860 997791199 /nfs/dbraw/zinc/79/11/99/997791199.db2.gz KPUMDFCSLMYTKT-KSSFIOAISA-N -1 0 346.814 3.652 20 0 EHADRM COc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC001599539069 997800421 /nfs/dbraw/zinc/80/04/21/997800421.db2.gz MNLCVTJZTOVBAA-QGZVFWFLSA-N -1 0 340.379 3.762 20 0 EHADRM COc1c(Cl)cc(NC(=O)c2oc(C(=O)[O-])cc2C)cc1Cl ZINC001599334311 997806734 /nfs/dbraw/zinc/80/67/34/997806734.db2.gz LWGQZDNKZIOBRX-UHFFFAOYSA-N -1 0 344.150 3.854 20 0 EHADRM COc1ccc(/C=C(/C)C(=O)Nc2cc(C)c(C(=O)[O-])s2)cc1F ZINC001599540707 997837285 /nfs/dbraw/zinc/83/72/85/997837285.db2.gz BBVMMQPZTSQTNW-POHAHGRESA-N -1 0 349.383 3.944 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)CCc1cccc(C)c1 ZINC001599541898 997857471 /nfs/dbraw/zinc/85/74/71/997857471.db2.gz FYPCRHSRXSZQRU-YFHOEESVSA-N -1 0 340.375 3.640 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)C(C)(C)C1CCCC1 ZINC001599543170 997878210 /nfs/dbraw/zinc/87/82/10/997878210.db2.gz MGIYXWMXKCWJHI-PKNBQFBNSA-N -1 0 332.396 3.915 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1c(C)cccc1Cl ZINC001599546510 997932309 /nfs/dbraw/zinc/93/23/09/997932309.db2.gz OYJCPJODEOKMKW-VQHVLOKHSA-N -1 0 346.766 3.974 20 0 EHADRM COc1c(NC(=O)c2cc(C(F)F)ccc2F)cccc1C(=O)[O-] ZINC001599342799 997950243 /nfs/dbraw/zinc/95/02/43/997950243.db2.gz PLZPIRRGJOICKW-UHFFFAOYSA-N -1 0 339.269 3.722 20 0 EHADRM COc1cc(N[C@H](C)CC(C)(C)CC(=O)[O-])c2nccc(OC)c2c1 ZINC001599443112 997962181 /nfs/dbraw/zinc/96/21/81/997962181.db2.gz PPPWQWRILMETAX-GFCCVEGCSA-N -1 0 346.427 3.943 20 0 EHADRM COc1c(N[C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)ncnc1C(=O)[O-] ZINC001599344031 997970138 /nfs/dbraw/zinc/97/01/38/997970138.db2.gz YUPGDBQMZGZNHI-YPMHNXCESA-N -1 0 347.802 3.585 20 0 EHADRM COc1cc(NCc2c[nH]nc2-c2cccc(C)c2)ccc1C(=O)[O-] ZINC001599444008 997977308 /nfs/dbraw/zinc/97/73/08/997977308.db2.gz SABPGYCUAHADPI-UHFFFAOYSA-N -1 0 337.379 3.704 20 0 EHADRM COc1cc(NCc2sc(C)nc2C(F)(F)F)ccc1C(=O)[O-] ZINC001599444853 997991384 /nfs/dbraw/zinc/99/13/84/997991384.db2.gz GIGKFRHDLZCPPJ-UHFFFAOYSA-N -1 0 346.330 3.789 20 0 EHADRM COc1cc(OC(=O)[C@H](C)Cc2ccccc2Cl)ccc1C(=O)[O-] ZINC001599446056 998010831 /nfs/dbraw/zinc/01/08/31/998010831.db2.gz MOQRJRZALJZCNW-LLVKDONJSA-N -1 0 348.782 3.831 20 0 EHADRM COc1cc(OC(=O)c2sccc2C(F)F)ccc1C(=O)[O-] ZINC001599446688 998021548 /nfs/dbraw/zinc/02/15/48/998021548.db2.gz FAPGUJAGMIIQDC-UHFFFAOYSA-N -1 0 328.292 3.612 20 0 EHADRM COc1cc(OC(=O)c2ccc3sccc3c2)ccc1C(=O)[O-] ZINC001599448217 998044175 /nfs/dbraw/zinc/04/41/75/998044175.db2.gz SRTCSNWGVGNWAM-UHFFFAOYSA-N -1 0 328.345 3.827 20 0 EHADRM CC1=C(C(=O)[O-])[C@@H](c2ccc(C(F)F)cc2)NC(=O)N1CC(C)C ZINC001594095223 998063130 /nfs/dbraw/zinc/06/31/30/998063130.db2.gz FLPUBFALCXISPZ-CQSZACIVSA-N -1 0 338.354 3.705 20 0 EHADRM COc1cc(OC)c(OC)cc1CSCc1ccc(C(=O)[O-])cc1 ZINC001599449546 998068034 /nfs/dbraw/zinc/06/80/34/998068034.db2.gz HWAAJZWVAMPXRE-UHFFFAOYSA-N -1 0 348.420 3.844 20 0 EHADRM COc1cc(C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)ccc1C ZINC001599355597 998173655 /nfs/dbraw/zinc/17/36/55/998173655.db2.gz CZKNVTIFNHOOBJ-UHFFFAOYSA-N -1 0 331.393 3.676 20 0 EHADRM COc1cc(OCc2ccc(C(F)(F)F)cc2)ccc1C(=O)[O-] ZINC001599457159 998207648 /nfs/dbraw/zinc/20/76/48/998207648.db2.gz YVPFCZWEDXUUCA-UHFFFAOYSA-N -1 0 326.270 3.991 20 0 EHADRM CC1=C[C@@H](C)CN(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)C1 ZINC001594110600 998211566 /nfs/dbraw/zinc/21/15/66/998211566.db2.gz XSJTYYGXYXCBQI-MRVPVSSYSA-N -1 0 326.755 3.607 20 0 EHADRM COc1cc2ccc(NCc3ncc(C(=O)[O-])s3)cc2cc1OC ZINC001599466841 998377573 /nfs/dbraw/zinc/37/75/73/998377573.db2.gz UMVQGCPXILAGND-UHFFFAOYSA-N -1 0 344.392 3.624 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC001599369817 998392350 /nfs/dbraw/zinc/39/23/50/998392350.db2.gz CMGYZZLCFGGLQY-JMSVASOKSA-N -1 0 332.400 3.578 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)C/C=C\c1ccc(F)cc1 ZINC001599370122 998396278 /nfs/dbraw/zinc/39/62/78/998396278.db2.gz QXQFEKUQVWRJJH-IHWYPQMZSA-N -1 0 329.327 3.575 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)CCc1ccc(SC)cc1 ZINC001599370452 998401246 /nfs/dbraw/zinc/40/12/46/998401246.db2.gz WRACSGOIFZVMAO-UHFFFAOYSA-N -1 0 345.420 3.687 20 0 EHADRM COC[C@@H](C)[C@H](C)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC001599157735 998402528 /nfs/dbraw/zinc/40/25/28/998402528.db2.gz JOMMYKSEJLITHA-ZJUUUORDSA-N -1 0 327.446 3.601 20 0 EHADRM COc1ccc(-n2ccnc2SCc2cc(C)c(C(=O)[O-])o2)cc1 ZINC001599474507 998506149 /nfs/dbraw/zinc/50/61/49/998506149.db2.gz WHSIVLDEXUETNU-UHFFFAOYSA-N -1 0 344.392 3.773 20 0 EHADRM COc1ccc(Cn2ccnc2S[C@H](CC(C)C)C(=O)[O-])cc1 ZINC001599581097 998531589 /nfs/dbraw/zinc/53/15/89/998531589.db2.gz ZQYDTNKYMAKKOZ-OAHLLOKOSA-N -1 0 334.441 3.531 20 0 EHADRM COc1ccc(Br)c(OCc2cccc(C(=O)[O-])c2)c1 ZINC001599476080 998534494 /nfs/dbraw/zinc/53/44/94/998534494.db2.gz XQBUGEXGRSSTOO-UHFFFAOYSA-N -1 0 337.169 3.735 20 0 EHADRM COc1ccc(C(=O)N(c2ccccc2C(=O)[O-])C2CCC2)c(F)c1 ZINC001599479874 998590348 /nfs/dbraw/zinc/59/03/48/998590348.db2.gz IUNMJNSYQVGOPS-UHFFFAOYSA-N -1 0 343.354 3.732 20 0 EHADRM COC(=O)c1ccc(OCc2ccc(F)cc2C(=O)[O-])cc1Cl ZINC001598985573 998693951 /nfs/dbraw/zinc/69/39/51/998693951.db2.gz BWYZQSFFHQZZMJ-UHFFFAOYSA-N -1 0 338.718 3.543 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc3ccc(C)nc32)c1 ZINC000340088917 1016239479 /nfs/dbraw/zinc/23/94/79/1016239479.db2.gz BDWRRCWASWGOTN-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1Cl ZINC001594195658 998758384 /nfs/dbraw/zinc/75/83/84/998758384.db2.gz ASBPDVIHKFAXMA-APPZFPTMSA-N -1 0 344.194 3.635 20 0 EHADRM C[C@@H]1CC(=O)N(C)c2ccc(NCc3csc(C(=O)[O-])c3)cc21 ZINC001594198231 998767472 /nfs/dbraw/zinc/76/74/72/998767472.db2.gz DPLLUWUATDJEMP-SNVBAGLBSA-N -1 0 330.409 3.528 20 0 EHADRM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1C(=O)c1sccc1SC(F)F ZINC001594207321 998798095 /nfs/dbraw/zinc/79/80/95/998798095.db2.gz AAEGIWXBMNFMMN-YUMQZZPRSA-N -1 0 349.424 3.777 20 0 EHADRM COC(=O)c1ccccc1CSCc1cc(C(=O)[O-])ccc1OC ZINC001599002571 998831542 /nfs/dbraw/zinc/83/15/42/998831542.db2.gz JQSFFTFARMEQJR-UHFFFAOYSA-N -1 0 346.404 3.613 20 0 EHADRM C[C@H]1C[C@@H](CNc2cccc(C(=O)[O-])c2)CCN1C(=O)OC(C)(C)C ZINC001594242986 998923547 /nfs/dbraw/zinc/92/35/47/998923547.db2.gz JRQUWSDJVZHAKT-KBPBESRZSA-N -1 0 348.443 3.832 20 0 EHADRM O=C([O-])C1CC(C(=O)Nc2ccccc2Oc2cc(F)cc(F)c2)C1 ZINC000683339934 1016263787 /nfs/dbraw/zinc/26/37/87/1016263787.db2.gz XBGMJNYLBDVUSR-UHFFFAOYSA-N -1 0 347.317 3.806 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC(=O)NCC(C)(C)CC(=O)[O-])C1 ZINC001594255314 998983618 /nfs/dbraw/zinc/98/36/18/998983618.db2.gz MOFIWMPYRMFPLY-UAGQMJEPSA-N -1 0 346.471 3.759 20 0 EHADRM CO[C@H](C(=O)Nc1c(C)cc(Cl)cc1C(=O)[O-])C1CCCCC1 ZINC001599028041 999030175 /nfs/dbraw/zinc/03/01/75/999030175.db2.gz WSYJZFYXROSQDJ-HNNXBMFYSA-N -1 0 339.819 3.880 20 0 EHADRM CO[C@H](C(=O)[O-])c1ccccc1OCCSCc1ccccc1 ZINC001599028228 999031392 /nfs/dbraw/zinc/03/13/92/999031392.db2.gz YWIOFHCHKVNONF-KRWDZBQOSA-N -1 0 332.421 3.771 20 0 EHADRM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccccc1C(=O)[O-] ZINC001594266406 999033039 /nfs/dbraw/zinc/03/30/39/999033039.db2.gz OEJVJFVRSQRQTB-GXTWGEPZSA-N -1 0 327.355 3.542 20 0 EHADRM CO[C@](C)(C(=O)Nc1cccc(C(=O)[O-])c1Cl)c1ccccc1 ZINC001599029623 999040857 /nfs/dbraw/zinc/04/08/57/999040857.db2.gz JSWNTZIYBLPVMP-KRWDZBQOSA-N -1 0 333.771 3.539 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)Nc2ccc(CC(=O)[O-])cc2)C1 ZINC001594269672 999042051 /nfs/dbraw/zinc/04/20/51/999042051.db2.gz MDMFGPQQEPUBNE-KDOFPFPSSA-N -1 0 338.407 3.929 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2cc(F)cc(C(=O)[O-])c2)C1 ZINC001594269655 999042170 /nfs/dbraw/zinc/04/21/70/999042170.db2.gz LWARAZPSWOUBPB-PXAZEXFGSA-N -1 0 327.355 3.747 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001594270244 999044211 /nfs/dbraw/zinc/04/42/11/999044211.db2.gz RMVRZQBXISYETF-LRYKZCBQSA-N -1 0 349.430 3.650 20 0 EHADRM COC(C)(C)[C@H](C)NC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001599031426 999053266 /nfs/dbraw/zinc/05/32/66/999053266.db2.gz MNWDTCQKTYCWIC-VIFPVBQESA-N -1 0 336.413 3.535 20 0 EHADRM C[C@@H]1C[C@H](c2cccnc2)N(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC001594272489 999054370 /nfs/dbraw/zinc/05/43/70/999054370.db2.gz QKXXHODVNXLGAC-BDJLRTHQSA-N -1 0 343.358 3.534 20 0 EHADRM CC1CCC(=CC(=O)N[C@H](Cc2cc3ccccc3o2)C(=O)[O-])CC1 ZINC001594291005 999121269 /nfs/dbraw/zinc/12/12/69/999121269.db2.gz PGJNYDDXCKUPAS-LRHAYUFXSA-N -1 0 341.407 3.681 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001594293591 999132989 /nfs/dbraw/zinc/13/29/89/999132989.db2.gz WRPZOZGVBSLOCU-XJKCOSOUSA-N -1 0 345.443 3.636 20 0 EHADRM Cc1cc(C(=O)[N-]c2nnc([C@H]3CCCc4ccccc43)s2)on1 ZINC000683344878 1016284608 /nfs/dbraw/zinc/28/46/08/1016284608.db2.gz GKTRUEHUTMXDIX-ZDUSSCGKSA-N -1 0 340.408 3.555 20 0 EHADRM C[C@@H]1CC[C@](C)(/C=C\C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])C1(C)C ZINC001594295788 999138901 /nfs/dbraw/zinc/13/89/01/999138901.db2.gz HAAFYURYNPVNFK-YQYKHIKBSA-N -1 0 343.467 3.817 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)Nc2cc(C(F)(F)F)cnc2C(=O)[O-])C[C@@H]1C ZINC001594295969 999139787 /nfs/dbraw/zinc/13/97/87/999139787.db2.gz LJYAXNXIWLIPBY-UTLUCORTSA-N -1 0 344.333 3.809 20 0 EHADRM C[C@@H]1CC[C@](C)(/C=C\C(=O)NCc2ccccc2CC(=O)[O-])C1(C)C ZINC001594296226 999141096 /nfs/dbraw/zinc/14/10/96/999141096.db2.gz ORDQOMMJNHTXIO-SJDDORAOSA-N -1 0 343.467 3.949 20 0 EHADRM CO[C@H](CC(C)C)C(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001599045147 999145536 /nfs/dbraw/zinc/14/55/36/999145536.db2.gz LVEUCIIZYHBXIA-CHWSQXEVSA-N -1 0 348.317 3.593 20 0 EHADRM C[C@@H]1CC[C@@H](CC(=O)N[C@H](C(=O)[O-])c2cccc3ccccc32)C1 ZINC001594302865 999171847 /nfs/dbraw/zinc/17/18/47/999171847.db2.gz RYYHQIQXLUPBSL-LPMFXHHGSA-N -1 0 325.408 3.908 20 0 EHADRM CO[C@H](COC(=O)c1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001599055003 999223159 /nfs/dbraw/zinc/22/31/59/999223159.db2.gz BPZAKDSYZFPAAI-OAHLLOKOSA-N -1 0 334.755 3.583 20 0 EHADRM CO[C@@H](CNc1ccc(C[C@H](C)C(=O)[O-])cc1)Cc1ccccc1 ZINC001599056384 999233056 /nfs/dbraw/zinc/23/30/56/999233056.db2.gz VMIOYVJIGVMDSV-HNAYVOBHSA-N -1 0 327.424 3.619 20 0 EHADRM C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C1 ZINC001594330588 999271241 /nfs/dbraw/zinc/27/12/41/999271241.db2.gz VPVCTRNOLHMSOP-VDHUWJSZSA-N -1 0 329.440 3.877 20 0 EHADRM COC1(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)CCCCCC1 ZINC001599063779 999284674 /nfs/dbraw/zinc/28/46/74/999284674.db2.gz YDOCXILHDDNMGA-UHFFFAOYSA-N -1 0 343.782 3.855 20 0 EHADRM C[C@@H]1CCC[C@H](OCCCCCC(=O)NC2(CC(=O)[O-])CCC2)C1 ZINC001594354406 999338713 /nfs/dbraw/zinc/33/87/13/999338713.db2.gz CFYZFYNLLRFDGU-CVEARBPZSA-N -1 0 339.476 3.656 20 0 EHADRM C[C@@H]1CCC[C@@H]1CC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001594359408 999358590 /nfs/dbraw/zinc/35/85/90/999358590.db2.gz GWUNLMALZQVIHF-ZIAGYGMSSA-N -1 0 330.428 3.750 20 0 EHADRM C[C@@H]1CCCC[C@H]1C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001594361876 999367806 /nfs/dbraw/zinc/36/78/06/999367806.db2.gz OFMWFYIUCDDZHD-GLXFQSAKSA-N -1 0 327.783 3.547 20 0 EHADRM C[C@@H]1CCCCN1C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC001594375098 999414525 /nfs/dbraw/zinc/41/45/25/999414525.db2.gz XNBKGRWJQBAWKK-KDOFPFPSSA-N -1 0 340.423 3.940 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccsc2CC(=O)[O-])CC12CCCCC2 ZINC001594410846 999534202 /nfs/dbraw/zinc/53/42/02/999534202.db2.gz FYEQYJYIMQTBPG-CYBMUJFWSA-N -1 0 335.469 3.808 20 0 EHADRM CC1CCN(c2ccc(F)cc2NC(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC001594435163 999615470 /nfs/dbraw/zinc/61/54/70/999615470.db2.gz RAEMJIKTLGLMRC-UHFFFAOYSA-N -1 0 346.358 3.606 20 0 EHADRM C[C@H](NC(=O)CCc1ccc(Cl)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655582233 1016485619 /nfs/dbraw/zinc/48/56/19/1016485619.db2.gz JDKJMCWSAXYTLO-TUKIKUTGSA-N -1 0 337.847 3.524 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166190068 1016593177 /nfs/dbraw/zinc/59/31/77/1016593177.db2.gz VKIXHDCALYLCAF-UHFFFAOYSA-N -1 0 336.731 3.605 20 0 EHADRM CCCN(Cc1ccccc1F)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000659408803 1016658452 /nfs/dbraw/zinc/65/84/52/1016658452.db2.gz YPFFMKPNSFQUII-UHFFFAOYSA-N -1 0 344.386 3.646 20 0 EHADRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccnn1[C@@H](C)CC(C)C ZINC000589270901 1016659706 /nfs/dbraw/zinc/65/97/06/1016659706.db2.gz KZGLZJZCSWBVSU-ZDUSSCGKSA-N -1 0 339.436 3.739 20 0 EHADRM O=C([O-])c1cccnc1NCc1cccc(NC(=O)C2CCCC2)c1 ZINC000613577976 1016705935 /nfs/dbraw/zinc/70/59/35/1016705935.db2.gz PTOXCKOLGXWONS-UHFFFAOYSA-N -1 0 339.395 3.521 20 0 EHADRM Cn1[n-]c(C(=O)Nc2cccc(Sc3ccccc3)c2)cc1=O ZINC001167247185 1016757110 /nfs/dbraw/zinc/75/71/10/1016757110.db2.gz VDNKGBQQDPGARS-UHFFFAOYSA-N -1 0 325.393 3.529 20 0 EHADRM COC1(C(=O)Nc2cc(F)cc(Cl)c2[O-])CCC(F)(F)CC1 ZINC000613592244 1016859343 /nfs/dbraw/zinc/85/93/43/1016859343.db2.gz WKVBJUZAKKUHAG-UHFFFAOYSA-N -1 0 337.725 3.718 20 0 EHADRM O=C(Nc1c[nH]nc1-c1ccccc1)c1cc(F)cc(Cl)c1[O-] ZINC000179747649 1016879611 /nfs/dbraw/zinc/87/96/11/1016879611.db2.gz OSMISVSZLCCYRH-UHFFFAOYSA-N -1 0 331.734 3.827 20 0 EHADRM Cc1ccc(-n2ccnc2)c(C(=O)Nc2cccc(Cl)c2[O-])c1 ZINC000340315129 1016933710 /nfs/dbraw/zinc/93/37/10/1016933710.db2.gz JCUHZBHKUXVVNS-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)Nc2cccc3cc[nH]c32)s1 ZINC000547825939 1016957043 /nfs/dbraw/zinc/95/70/43/1016957043.db2.gz DKXRAKYKHGFHQP-UHFFFAOYSA-N -1 0 329.429 3.989 20 0 EHADRM CCCN(CC)C(=O)N=c1[n-]nc(-c2ccc(Cl)cc2F)s1 ZINC000471306141 1016983569 /nfs/dbraw/zinc/98/35/69/1016983569.db2.gz GYVNEHJVRWHKBP-UHFFFAOYSA-N -1 0 342.827 3.683 20 0 EHADRM CCC1(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CCC(F)(F)CC1 ZINC000659768007 1016983632 /nfs/dbraw/zinc/98/36/32/1016983632.db2.gz UUZADCOFJUUZPC-RWMBFGLXSA-N -1 0 345.430 3.844 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)N(C)CCC(=O)[O-])c1ccc(Cl)cc1 ZINC000414594886 1017002106 /nfs/dbraw/zinc/00/21/06/1017002106.db2.gz AFCWPRLMRDFPOE-NHYWBVRUSA-N -1 0 326.824 3.543 20 0 EHADRM C[C@@H](NC(=O)c1occc1-c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655585624 1017021965 /nfs/dbraw/zinc/02/19/65/1017021965.db2.gz AHHXIGHWPFWFBF-UHOFOFEASA-N -1 0 341.407 3.812 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1ncc(-c2ccc(Cl)cc2)o1)C1CCC1 ZINC000659795516 1017032279 /nfs/dbraw/zinc/03/22/79/1017032279.db2.gz YRFXIEQZOWDXHH-NSHDSACASA-N -1 0 334.803 3.823 20 0 EHADRM Cc1ccc2c(c1Br)CN(Cc1ccc(C(=O)[O-])o1)C2 ZINC000659803931 1017048459 /nfs/dbraw/zinc/04/84/59/1017048459.db2.gz QPHWALMODWAVGN-UHFFFAOYSA-N -1 0 336.185 3.565 20 0 EHADRM O=C(Nc1cnc(-c2ccccc2)nc1)c1cc(F)c(F)c([O-])c1F ZINC000183388619 1032167947 /nfs/dbraw/zinc/16/79/47/1032167947.db2.gz WUSWWRCBXWHCHO-UHFFFAOYSA-N -1 0 345.280 3.519 20 0 EHADRM Cc1n[nH]c(C)c1[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000161769372 1032181362 /nfs/dbraw/zinc/18/13/62/1032181362.db2.gz DWJDVXWFZGRHBS-UHFFFAOYSA-N -1 0 335.816 3.634 20 0 EHADRM CCC[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)C1CCCC1 ZINC001212129077 1032195252 /nfs/dbraw/zinc/19/52/52/1032195252.db2.gz SADCAOFZGQUFDW-AWEZNQCLSA-N -1 0 335.391 3.741 20 0 EHADRM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000414621975 1017071554 /nfs/dbraw/zinc/07/15/54/1017071554.db2.gz GAEMIVFWRNTOFX-LEOMRAHMSA-N -1 0 346.471 3.977 20 0 EHADRM Cc1sc(C2(C(=O)[O-])CCOCC2)nc1-c1ccc2c(c1)CCC2 ZINC000905002122 1032315780 /nfs/dbraw/zinc/31/57/80/1032315780.db2.gz LVKNESYTTFWLAE-UHFFFAOYSA-N -1 0 343.448 3.740 20 0 EHADRM Cc1c2ccccc2oc1-c1csc(C2(C(=O)[O-])CCOCC2)n1 ZINC000905002801 1032316430 /nfs/dbraw/zinc/31/64/30/1032316430.db2.gz QLXCZZRYCXRNJR-UHFFFAOYSA-N -1 0 343.404 3.998 20 0 EHADRM Cc1cc(CN=c2[n-]nc(-c3cccc(OC(F)F)c3)o2)ccc1F ZINC000461211927 1032321680 /nfs/dbraw/zinc/32/16/80/1032321680.db2.gz JMZFEOHXSZKLIQ-UHFFFAOYSA-N -1 0 349.312 3.820 20 0 EHADRM COCCc1nc(=N[C@H]2C[C@H]3CCC(C)(C)c4cccc2c43)s[n-]1 ZINC000538452507 1032378799 /nfs/dbraw/zinc/37/87/99/1032378799.db2.gz SDWLAFPCGGGLQM-DOMZBBRYSA-N -1 0 343.496 3.861 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)CC2 ZINC000262989145 1032407551 /nfs/dbraw/zinc/40/75/51/1032407551.db2.gz NZKSBDDGEZYINN-SOLBZPMBSA-N -1 0 329.440 3.805 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)CC2 ZINC000262989141 1032408002 /nfs/dbraw/zinc/40/80/02/1032408002.db2.gz NZKSBDDGEZYINN-JFIYKMOQSA-N -1 0 329.440 3.805 20 0 EHADRM Cc1cscc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000461342143 1032408116 /nfs/dbraw/zinc/40/81/16/1032408116.db2.gz NCUTWFPDDIPEIU-UHFFFAOYSA-N -1 0 327.374 3.938 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3C[C@H](C)C[C@H]3C)n2)c1 ZINC000084404603 1032425980 /nfs/dbraw/zinc/42/59/80/1032425980.db2.gz CWANMHVNALGGSF-ZIAGYGMSSA-N -1 0 327.428 3.572 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1cc(-c2ccccc2)ns1 ZINC000263070393 1032429098 /nfs/dbraw/zinc/42/90/98/1032429098.db2.gz PUWUNWNRSQGRMX-UHFFFAOYSA-N -1 0 333.413 3.575 20 0 EHADRM Cc1cc(F)cc([C@]2(F)CCN(Cc3ccc(C(=O)[O-])cc3)C2)c1 ZINC000414637177 1017086058 /nfs/dbraw/zinc/08/60/58/1017086058.db2.gz LTOSBZJHMUUSLF-IBGZPJMESA-N -1 0 331.362 3.903 20 0 EHADRM O=C([O-])CCCCCNC(=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000414632738 1017093878 /nfs/dbraw/zinc/09/38/78/1017093878.db2.gz YSFPZQFXTNIADR-INIZCTEOSA-N -1 0 336.407 3.707 20 0 EHADRM CSc1ccc(C)c([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000537195954 1032553562 /nfs/dbraw/zinc/55/35/62/1032553562.db2.gz IFRPOJMBEJGUPQ-UHFFFAOYSA-N -1 0 347.383 3.935 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-] ZINC000601992100 1032584781 /nfs/dbraw/zinc/58/47/81/1032584781.db2.gz JRPRZJMPZZSHCV-HTQZYQBOSA-N -1 0 333.862 3.595 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)N[C@@H](c1ccccc1)C1CCCC1)C(=O)[O-] ZINC000601992614 1032584911 /nfs/dbraw/zinc/58/49/11/1032584911.db2.gz HWFNCYZTGDPWSW-XEZPLFJOSA-N -1 0 335.469 3.629 20 0 EHADRM C[C@@H](S[C@H](C)C(=O)Nc1cccc(C(F)F)c1Cl)C(=O)[O-] ZINC000601995303 1032586052 /nfs/dbraw/zinc/58/60/52/1032586052.db2.gz YMLPOSJOWMMUCK-RNFRBKRXSA-N -1 0 337.775 3.811 20 0 EHADRM O=C(N=c1nc(-c2ccsc2)[n-]s1)N1CCC[C@H]1C1CCCC1 ZINC000460124356 1032599524 /nfs/dbraw/zinc/59/95/24/1032599524.db2.gz QBCHBFORWXEDNA-ZDUSSCGKSA-N -1 0 348.497 3.875 20 0 EHADRM O=C(CC1CC(F)(F)C1)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000449826609 1033294959 /nfs/dbraw/zinc/29/49/59/1033294959.db2.gz KDWWDRHWYMMYGJ-UHFFFAOYSA-N -1 0 343.786 3.654 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N2CCC[C@H]2CC)s1)c1ccccc1 ZINC000592937567 1032622638 /nfs/dbraw/zinc/62/26/38/1032622638.db2.gz HMJRDOWHTGWDNW-HUUCEWRRSA-N -1 0 344.484 3.908 20 0 EHADRM CCc1oc(C(=O)N=c2[n-]nc(-c3ccccc3Cl)s2)cc1C ZINC000471338805 1017125916 /nfs/dbraw/zinc/12/59/16/1017125916.db2.gz XIOCQALZJZUPCE-UHFFFAOYSA-N -1 0 347.827 3.997 20 0 EHADRM Cn1cc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c(C2CCC2)n1 ZINC000579930545 1017213904 /nfs/dbraw/zinc/21/39/04/1017213904.db2.gz AZCQEMRRGSGQNJ-UHFFFAOYSA-N -1 0 340.210 3.952 20 0 EHADRM Cc1ccc(Br)cc1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000183426883 1017325367 /nfs/dbraw/zinc/32/53/67/1017325367.db2.gz JKFDRGVNHRNROG-UHFFFAOYSA-N -1 0 342.139 3.994 20 0 EHADRM Cc1ccc([C@@H]([N-]S(=O)(=O)Cc2ccccc2C)C(F)(F)F)o1 ZINC000655660768 1017350900 /nfs/dbraw/zinc/35/09/00/1017350900.db2.gz UPQFOLRFHFJAOL-CQSZACIVSA-N -1 0 347.358 3.619 20 0 EHADRM CN(C)c1cccc([C@H]2CCCN2C(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000183638993 1017357175 /nfs/dbraw/zinc/35/71/75/1017357175.db2.gz MANCLCGRJAPIST-QGZVFWFLSA-N -1 0 346.377 3.714 20 0 EHADRM CCCCCCN(Cc1ccco1)C(=O)c1cnc(C2CC2)[nH]c1=O ZINC000890942453 1017413647 /nfs/dbraw/zinc/41/36/47/1017413647.db2.gz MWROXDUTDFSWTA-UHFFFAOYSA-N -1 0 343.427 3.875 20 0 EHADRM Cc1cccc2[nH]cc(CC(=O)N[C@@H](CC(=O)[O-])C3CCCCC3)c21 ZINC000537403670 1032704070 /nfs/dbraw/zinc/70/40/70/1032704070.db2.gz VVMIXMZVYRIJPI-KRWDZBQOSA-N -1 0 342.439 3.559 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)[C@@H](c2ccccc2)C(C)C)sc1C(=O)[O-] ZINC000236650140 1017610377 /nfs/dbraw/zinc/61/03/77/1017610377.db2.gz DVLOOGUGCFUNNE-TZMCWYRMSA-N -1 0 346.452 3.767 20 0 EHADRM Cc1ccc(CC(=O)NOCc2cc(-c3ccc(C)cc3)no2)cc1 ZINC000177580994 1017695200 /nfs/dbraw/zinc/69/52/00/1017695200.db2.gz GKAWFKNGNYCISV-UHFFFAOYSA-N -1 0 336.391 3.749 20 0 EHADRM COCC1(CCN=c2[n-]nc(-c3ccccc3Cl)s2)CCC1 ZINC000584450299 1032720542 /nfs/dbraw/zinc/72/05/42/1032720542.db2.gz RRWOISOCUAKNBP-UHFFFAOYSA-N -1 0 337.876 3.899 20 0 EHADRM Cc1c(C(=O)[O-])cnn1C1CC[NH+]([C@@H](C)c2cccc(Cl)c2)CC1 ZINC000579961642 1017806483 /nfs/dbraw/zinc/80/64/83/1017806483.db2.gz MBCGVSVBILGOGV-LBPRGKRZSA-N -1 0 347.846 3.941 20 0 EHADRM Cc1cc(C)cc([C@H](C)NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000655867905 1017824004 /nfs/dbraw/zinc/82/40/04/1017824004.db2.gz MZFBBVMWDQIURQ-HDEZJCGLSA-N -1 0 346.471 3.799 20 0 EHADRM Cc1ccc([C@H](C)CNC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655869272 1017830053 /nfs/dbraw/zinc/83/00/53/1017830053.db2.gz BXMAMRJOFPUSEO-YQFWSFKMSA-N -1 0 346.471 3.533 20 0 EHADRM CC(C)(CC(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F)C(=O)[O-] ZINC000580004101 1018021952 /nfs/dbraw/zinc/02/19/52/1018021952.db2.gz CVATZBXAZNTGEK-LLVKDONJSA-N -1 0 337.725 3.561 20 0 EHADRM O=C(c1ccc(C(F)(F)F)c(O)c1)N1CCSC2(CCC2)CC1 ZINC000665953384 1032759886 /nfs/dbraw/zinc/75/98/86/1032759886.db2.gz ORAATGMZWBNNKG-UHFFFAOYSA-N -1 0 345.386 3.913 20 0 EHADRM CC(C)c1nc(/C=C/c2c(Cl)nc3sccn23)ncc1C(=O)[O-] ZINC000172554998 1032779080 /nfs/dbraw/zinc/77/90/80/1032779080.db2.gz DTZUFGZNIOEWAU-ONEGZZNKSA-N -1 0 348.815 3.831 20 0 EHADRM COc1ccc(NC(=O)C[C@H](C)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000576327747 1018791433 /nfs/dbraw/zinc/79/14/33/1018791433.db2.gz OTNIFNWMHRWZFH-ZDUSSCGKSA-N -1 0 342.395 3.531 20 0 EHADRM CC(C)Oc1ccc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)c(F)c1 ZINC000052118325 1018835850 /nfs/dbraw/zinc/83/58/50/1018835850.db2.gz IXIIMOXHYSEIBR-HNNXBMFYSA-N -1 0 345.370 3.810 20 0 EHADRM O=S(=O)([N-]c1cccc2n[nH]cc21)c1ccc(Cl)c(Cl)c1 ZINC000614357633 1018846978 /nfs/dbraw/zinc/84/69/78/1018846978.db2.gz KANCRQDZHTYLKB-UHFFFAOYSA-N -1 0 342.207 3.671 20 0 EHADRM CN(C(=O)c1cc(=O)n(C)[n-]1)[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000614392795 1018951865 /nfs/dbraw/zinc/95/18/65/1018951865.db2.gz PAAPWLHGPDCMAJ-KRWDZBQOSA-N -1 0 347.846 3.783 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000644917301 1018971544 /nfs/dbraw/zinc/97/15/44/1018971544.db2.gz MXDOXPAELPCCHR-BZUAXINKSA-N -1 0 333.815 3.574 20 0 EHADRM Cc1nc(C)c(S(=O)(=O)[N-]c2cccc(OCC(C)C)c2)s1 ZINC000433510534 1019030232 /nfs/dbraw/zinc/03/02/32/1019030232.db2.gz HISPGLACWUOIHO-UHFFFAOYSA-N -1 0 340.470 3.596 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nc(C3CC3)cs2)ccc1Cl ZINC000656181996 1019068325 /nfs/dbraw/zinc/06/83/25/1019068325.db2.gz LEVQHZFRHKHZFN-UHFFFAOYSA-N -1 0 328.846 3.783 20 0 EHADRM Nc1cc(F)c(Br)cc1Nc1ccccc1C(=O)[O-] ZINC001210969733 1019151547 /nfs/dbraw/zinc/15/15/47/1019151547.db2.gz VUCAJWQSMRAPBM-UHFFFAOYSA-N -1 0 325.137 3.612 20 0 EHADRM COc1ccccc1Cn1nc(C)cc1Nc1ccccc1C(=O)[O-] ZINC001210970207 1019152283 /nfs/dbraw/zinc/15/22/83/1019152283.db2.gz WBTCRCLZUHYEBE-UHFFFAOYSA-N -1 0 337.379 3.690 20 0 EHADRM CCSc1ccc(Cl)cc1[N-]C(=S)NC[C@@H]1CCCO1 ZINC000729163411 1019212621 /nfs/dbraw/zinc/21/26/21/1019212621.db2.gz YSGFWRIEFRBWTK-NSHDSACASA-N -1 0 330.906 3.917 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)Nc1nc(C)cs1 ZINC000683920683 1019240119 /nfs/dbraw/zinc/24/01/19/1019240119.db2.gz GYFYHZCCMRJISR-CYBMUJFWSA-N -1 0 333.413 3.521 20 0 EHADRM CCC[C@H](C(=O)[O-])[S@](=O)Cc1nc(C2CCCCC2)cs1 ZINC000580409755 1019314744 /nfs/dbraw/zinc/31/47/44/1019314744.db2.gz MAIZIUISAGSYHQ-LRTDBIEQSA-N -1 0 329.487 3.693 20 0 EHADRM CC(C)CCc1nc(=O)c2sc(-c3ccc4c(c3)OCO4)cc2[n-]1 ZINC000614441767 1019315041 /nfs/dbraw/zinc/31/50/41/1019315041.db2.gz JPDRUKLBBLUCPG-UHFFFAOYSA-N -1 0 342.420 3.969 20 0 EHADRM COc1ccc2c(c1)[C@H](C(=O)Nc1ccc(C)c(C(=O)[O-])c1)CCC2 ZINC000656234669 1019488606 /nfs/dbraw/zinc/48/86/06/1019488606.db2.gz DWIHUHLMSWXXMJ-MRXNPFEDSA-N -1 0 339.391 3.760 20 0 EHADRM CC1(C)Cc2cccc(C(=O)Nc3ccc(CCC(=O)[O-])cc3)c2O1 ZINC000656235744 1019493558 /nfs/dbraw/zinc/49/35/58/1019493558.db2.gz RNZJVOHKJVFNIR-UHFFFAOYSA-N -1 0 339.391 3.670 20 0 EHADRM Cc1oc(CN(C)C(=O)C[C@H](C)Cc2cccc(F)c2)cc1C(=O)[O-] ZINC000262054505 1019524478 /nfs/dbraw/zinc/52/44/78/1019524478.db2.gz AUGDHRVIBRKDIM-GFCCVEGCSA-N -1 0 347.386 3.653 20 0 EHADRM CSc1ncc(Cl)c(C(=O)Nc2cc(F)cc(Cl)c2[O-])n1 ZINC000548106734 1019542303 /nfs/dbraw/zinc/54/23/03/1019542303.db2.gz JUMSOJIUDDXMOK-UHFFFAOYSA-N -1 0 348.186 3.602 20 0 EHADRM Cc1cccc(Oc2ncccc2NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])c1C ZINC000262215047 1019564381 /nfs/dbraw/zinc/56/43/81/1019564381.db2.gz UAYPXHRTOSKUCL-ZIAGYGMSSA-N -1 0 340.379 3.540 20 0 EHADRM COc1ccc(O)c(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)c1 ZINC000513363716 1019573474 /nfs/dbraw/zinc/57/34/74/1019573474.db2.gz DMPQWZKVBCOGOA-UHFFFAOYSA-N -1 0 347.370 3.884 20 0 EHADRM Cc1cc(F)ccc1C(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000433771158 1019583431 /nfs/dbraw/zinc/58/34/31/1019583431.db2.gz NFGMFXAMCXMWPT-UHFFFAOYSA-N -1 0 347.802 3.980 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc(Cl)cc2Br)CCC1 ZINC000311873945 1019592717 /nfs/dbraw/zinc/59/27/17/1019592717.db2.gz VBLLGHLRQMJLNE-UHFFFAOYSA-N -1 0 346.608 3.686 20 0 EHADRM CC(C)(C)n1ccc(C(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)n1 ZINC000656250258 1019613315 /nfs/dbraw/zinc/61/33/15/1019613315.db2.gz GTCQMOPKJXHYHT-HNNXBMFYSA-N -1 0 349.475 3.572 20 0 EHADRM COC(=O)c1[n-]c(=N[C@@H](C)c2cc3cccc(F)c3o2)sc1C ZINC000433817529 1019655420 /nfs/dbraw/zinc/65/54/20/1019655420.db2.gz HHCTTYUPRBGHEY-QMMMGPOBSA-N -1 0 334.372 3.718 20 0 EHADRM CC(C)C[C@@H](C)OCCC(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1 ZINC000262528617 1019655685 /nfs/dbraw/zinc/65/56/85/1019655685.db2.gz OGYBMXWJUPXABO-CQSZACIVSA-N -1 0 346.427 3.506 20 0 EHADRM CC1(C)CN(C(=O)NCc2ccc(O)c(F)c2)C[C@H]1c1ccccc1 ZINC000433833753 1019679299 /nfs/dbraw/zinc/67/92/99/1019679299.db2.gz OWIVVXQDQCDLGF-INIZCTEOSA-N -1 0 342.414 3.867 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000262664363 1019697678 /nfs/dbraw/zinc/69/76/78/1019697678.db2.gz OANPNTXWTNOYJG-HTQZYQBOSA-N -1 0 349.786 3.747 20 0 EHADRM C[C@H](Oc1ccccc1NC(=O)[C@H]1CC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000262683690 1019703613 /nfs/dbraw/zinc/70/36/13/1019703613.db2.gz XLGAKUAKYVABQF-BPUTZDHNSA-N -1 0 339.391 3.876 20 0 EHADRM CC(C)(CCNC(=O)[C@H]1C[C@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000262864539 1019750552 /nfs/dbraw/zinc/75/05/52/1019750552.db2.gz AYEYDILRQKMESQ-IRXDYDNUSA-N -1 0 325.408 3.560 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)Nc2ccc(C(=O)[O-])cc2OC)c1 ZINC000262972577 1019778940 /nfs/dbraw/zinc/77/89/40/1019778940.db2.gz OSTNFHHFXOCSSM-LBPRGKRZSA-N -1 0 343.379 3.534 20 0 EHADRM C[C@@H](C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1)c1c(F)cccc1F ZINC000263126482 1019822633 /nfs/dbraw/zinc/82/26/33/1019822633.db2.gz LCQQDZSWGLGXIT-WBMJQRKESA-N -1 0 347.361 3.791 20 0 EHADRM COc1ccc(-c2cc(C(=O)NC[C@H](C)CC(=O)[O-])sc2C)cc1 ZINC000263516097 1019922358 /nfs/dbraw/zinc/92/23/58/1019922358.db2.gz DRSDRAREFMECDM-LLVKDONJSA-N -1 0 347.436 3.573 20 0 EHADRM CCOc1ccccc1[C@H](CC)NC(=O)C1CCC(C(=O)[O-])CC1 ZINC000263518056 1019923514 /nfs/dbraw/zinc/92/35/14/1019923514.db2.gz FSLLKPGWOMDRHC-XUJLQICISA-N -1 0 333.428 3.544 20 0 EHADRM CCc1ccc(S(=O)(=O)C=C([O-])c2cc(C)n(C3CC3)c2C)cc1 ZINC000340771850 1019965258 /nfs/dbraw/zinc/96/52/58/1019965258.db2.gz DHHIBGAVLZOBCG-UHFFFAOYSA-N -1 0 345.464 3.659 20 0 EHADRM CCCOC1(CNC(=O)CC2CCC(C(=O)[O-])CC2)CCCCC1 ZINC000580775615 1019998962 /nfs/dbraw/zinc/99/89/62/1019998962.db2.gz CBXLCTFUQPHVBF-UHFFFAOYSA-N -1 0 339.476 3.513 20 0 EHADRM CCCC[C@@H](NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC000345206764 1020060495 /nfs/dbraw/zinc/06/04/95/1020060495.db2.gz HSMBHCKUVXOGBM-QGZVFWFLSA-N -1 0 327.380 3.852 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2cncc(Cl)c2)c1C ZINC000340827004 1020288215 /nfs/dbraw/zinc/28/82/15/1020288215.db2.gz ROGZHUBEPQLQSE-UHFFFAOYSA-N -1 0 328.846 3.566 20 0 EHADRM CCOc1ccccc1OCC(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000160735917 1020365054 /nfs/dbraw/zinc/36/50/54/1020365054.db2.gz MGWGYLMLNXPFKG-UHFFFAOYSA-N -1 0 344.392 3.533 20 0 EHADRM Cc1cc(C)n([C@@H](C)CC(=O)Nc2cc(Cl)c([O-])cc2F)n1 ZINC000345612107 1020386040 /nfs/dbraw/zinc/38/60/40/1020386040.db2.gz SPXCYIWXSOULQM-JTQLQIEISA-N -1 0 325.771 3.588 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1ccnc(OC2CCC2)c1 ZINC000345596955 1020392528 /nfs/dbraw/zinc/39/25/28/1020392528.db2.gz YIVPJSGAMIJWJL-UHFFFAOYSA-N -1 0 336.750 3.763 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N[C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000581134216 1020466105 /nfs/dbraw/zinc/46/61/05/1020466105.db2.gz RXBDYMZNCKEUGR-ABIUDSBCSA-N -1 0 343.345 3.687 20 0 EHADRM Cc1cc(=O)[nH]c2cc(C(=O)Nc3cc(F)cc(Cl)c3[O-])ccc12 ZINC000581219264 1020543189 /nfs/dbraw/zinc/54/31/89/1020543189.db2.gz YOAYVYMJGDFERW-UHFFFAOYSA-N -1 0 346.745 3.999 20 0 EHADRM Cn1cc(CCN=c2[n-]nc(C(F)F)s2)c2ccc(Cl)cc21 ZINC000340913018 1020592649 /nfs/dbraw/zinc/59/26/49/1020592649.db2.gz VITDTZLNDFOBBI-UHFFFAOYSA-N -1 0 342.802 3.697 20 0 EHADRM CC(C)Sc1ccc(C(=O)Nc2cccc(OCC(=O)[O-])c2)cc1 ZINC000345907747 1020603147 /nfs/dbraw/zinc/60/31/47/1020603147.db2.gz PMXGRJJXZSETTO-UHFFFAOYSA-N -1 0 345.420 3.903 20 0 EHADRM COc1cc(C)c(C)cc1NC(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC000656487267 1020711468 /nfs/dbraw/zinc/71/14/68/1020711468.db2.gz POSGGIMBYIDJCE-HNNXBMFYSA-N -1 0 327.380 3.509 20 0 EHADRM O=C([O-])c1cc(F)c(Nc2cncc(Br)c2)c(F)c1 ZINC000305949073 1020743145 /nfs/dbraw/zinc/74/31/45/1020743145.db2.gz HDZSBJMLHHNYTK-UHFFFAOYSA-N -1 0 329.100 3.564 20 0 EHADRM Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(-c2ccccc2)c1 ZINC000340998258 1020801037 /nfs/dbraw/zinc/80/10/37/1020801037.db2.gz RKRPORHBHWNPMK-UHFFFAOYSA-N -1 0 328.393 3.759 20 0 EHADRM Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H](CC(=O)[O-])c1ccncc1 ZINC000656567159 1020923969 /nfs/dbraw/zinc/92/39/69/1020923969.db2.gz FRKFFBCFFTXBJV-OAHLLOKOSA-N -1 0 338.329 3.714 20 0 EHADRM CC[C@H](NC(=O)N([C@H](C)C(=O)[O-])C1CCC1)c1cccc(Cl)c1 ZINC000581465879 1020936683 /nfs/dbraw/zinc/93/66/83/1020936683.db2.gz MTTMWYGQSZYMJG-ABAIWWIYSA-N -1 0 338.835 3.828 20 0 EHADRM COc1cc(NC(=O)c2cc(F)c(F)c([O-])c2F)cc2cccnc21 ZINC000341176873 1021047541 /nfs/dbraw/zinc/04/75/41/1021047541.db2.gz VYRNYSPYHWPRPI-UHFFFAOYSA-N -1 0 348.280 3.619 20 0 EHADRM O=C(N[C@@H]1CCCOc2c(F)cccc21)c1cccc(Cl)c1[O-] ZINC001266763544 1021113776 /nfs/dbraw/zinc/11/37/76/1021113776.db2.gz WLBVHCGBWBCCCP-CQSZACIVSA-N -1 0 335.762 3.828 20 0 EHADRM CC(C)Oc1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000096659579 1032957278 /nfs/dbraw/zinc/95/72/78/1032957278.db2.gz QAYWEQWZZYQHTA-UHFFFAOYSA-N -1 0 325.817 3.928 20 0 EHADRM CCC[C@H]1CCc2nc([N-]S(=O)(=O)CCCCF)sc2C1 ZINC000518435250 1021180616 /nfs/dbraw/zinc/18/06/16/1021180616.db2.gz YGHVSMAQQKEBIA-NSHDSACASA-N -1 0 334.482 3.540 20 0 EHADRM CCCCn1ncc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)c1CC ZINC000760445772 1032961133 /nfs/dbraw/zinc/96/11/33/1032961133.db2.gz WLUOQFDYUMEJKR-UHFFFAOYSA-N -1 0 344.440 3.928 20 0 EHADRM COc1ccc(NC(=O)N(CC(=O)[O-])[C@@H](C)c2ccccc2)cc1F ZINC000518471012 1021215133 /nfs/dbraw/zinc/21/51/33/1021215133.db2.gz SFWRHZWTKFDTKF-LBPRGKRZSA-N -1 0 346.358 3.514 20 0 EHADRM COc1ccc(F)cc1S(=O)(=O)[N-]c1nc(C(C)C)c(C)s1 ZINC000656740631 1021237161 /nfs/dbraw/zinc/23/71/61/1021237161.db2.gz YFDUHLINLRXORW-UHFFFAOYSA-N -1 0 344.433 3.523 20 0 EHADRM O=C(Nc1nc(CC(F)(F)F)cs1)c1ccc(Cl)cc1[O-] ZINC000436795707 1021240326 /nfs/dbraw/zinc/24/03/26/1021240326.db2.gz ZSZFWCILMAFUSK-UHFFFAOYSA-N -1 0 336.722 3.859 20 0 EHADRM CC(=O)c1ccc(F)cc1NC(=O)CC1(C(=O)[O-])CCCCCC1 ZINC000342256910 1021248672 /nfs/dbraw/zinc/24/86/72/1021248672.db2.gz XJUIOMZVCFYKTF-UHFFFAOYSA-N -1 0 335.375 3.782 20 0 EHADRM c1cc(Cc2n[n-]c(=NCc3ccc4c(c3)CCCC4)o2)cs1 ZINC000427266018 1021279778 /nfs/dbraw/zinc/27/97/78/1021279778.db2.gz QCJUXLZVXRKSDA-UHFFFAOYSA-N -1 0 325.437 3.635 20 0 EHADRM Cc1c(NC(=O)c2cc(Cl)ccc2[O-])cccc1NC(=O)N(C)C ZINC000436865786 1021303486 /nfs/dbraw/zinc/30/34/86/1021303486.db2.gz VJWBQIVOZNZIIY-UHFFFAOYSA-N -1 0 347.802 3.700 20 0 EHADRM O=C(Cc1c[nH]c2cc(Cl)ccc12)Nc1ccc(F)c(F)c1[O-] ZINC001625988523 1032968983 /nfs/dbraw/zinc/96/89/83/1032968983.db2.gz ZSFSMHPZXVCBRS-UHFFFAOYSA-N -1 0 336.725 3.986 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2sc(C)cc2OC(F)F)c1 ZINC000436870563 1021310720 /nfs/dbraw/zinc/31/07/20/1021310720.db2.gz MLGBWCFJDMXBFY-UHFFFAOYSA-N -1 0 341.335 3.818 20 0 EHADRM Cc1c(C(=O)[O-])sc2ncnc(NCC[C@@]3(C)CC3(F)F)c12 ZINC000656782092 1021320898 /nfs/dbraw/zinc/32/08/98/1021320898.db2.gz CDCNHRVSUBQDPA-ZDUSSCGKSA-N -1 0 327.356 3.545 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CCCOc2ccc(F)cc2F)c1 ZINC000436877636 1021328496 /nfs/dbraw/zinc/32/84/96/1021328496.db2.gz PJDJMYSLBDRQSC-UHFFFAOYSA-N -1 0 349.333 3.671 20 0 EHADRM O=C(c1cc(F)cc(Br)c1[O-])N1CCC[C@@H]2CCC[C@@H]21 ZINC000436884474 1021335679 /nfs/dbraw/zinc/33/56/79/1021335679.db2.gz DBDQXEMDYMMUCA-ZANVPECISA-N -1 0 342.208 3.699 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)NC(C)(C)CCC(=O)[O-] ZINC000669493629 1032971674 /nfs/dbraw/zinc/97/16/74/1032971674.db2.gz MVXWSJMHRJCYJV-UHFFFAOYSA-N -1 0 336.432 3.758 20 0 EHADRM CN(Cc1cc(Cl)ccc1F)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000436903426 1021348603 /nfs/dbraw/zinc/34/86/03/1021348603.db2.gz TYOWFAFIOIKAMT-UHFFFAOYSA-N -1 0 329.705 3.735 20 0 EHADRM Cc1ccncc1CN(C)C(=O)c1c([O-])cc(Cl)cc1Cl ZINC000436914001 1021367727 /nfs/dbraw/zinc/36/77/27/1021367727.db2.gz XMMAFSMMTWUTOC-UHFFFAOYSA-N -1 0 325.195 3.675 20 0 EHADRM [O-]c1ccc(Cl)cc1-c1nc(-c2ccccc2-n2cccn2)no1 ZINC000436914451 1021371883 /nfs/dbraw/zinc/37/18/83/1021371883.db2.gz LVGVHUWLRIYUPC-UHFFFAOYSA-N -1 0 338.754 3.948 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H](C(=O)OC(C)(C)C)C(C)C)c1 ZINC000581668974 1021397854 /nfs/dbraw/zinc/39/78/54/1021397854.db2.gz XWKUGONCUMTUGG-MRXNPFEDSA-N -1 0 349.427 3.537 20 0 EHADRM CN(C(=O)CCc1ccccc1C(=O)[O-])C1C2CC3CC(C2)CC1C3 ZINC000262072404 1021405072 /nfs/dbraw/zinc/40/50/72/1021405072.db2.gz DAFYTICJTFXKJL-UHFFFAOYSA-N -1 0 341.451 3.601 20 0 EHADRM C[C@@H]1COCC[C@H]1NC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436949129 1021410212 /nfs/dbraw/zinc/41/02/12/1021410212.db2.gz LPLZGDRBTJYQSC-SJKOYZFVSA-N -1 0 345.826 3.867 20 0 EHADRM CN(Cc1c(F)cccc1Cl)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000436962667 1021411568 /nfs/dbraw/zinc/41/15/68/1021411568.db2.gz MPGSKTJAPXOEEP-UHFFFAOYSA-N -1 0 329.705 3.735 20 0 EHADRM O=C(Nc1cnn(-c2ccc(Cl)cc2)c1)c1cc(F)c([O-])c(F)c1 ZINC000436955162 1021419313 /nfs/dbraw/zinc/41/93/13/1021419313.db2.gz ZQKSHZBQXQKZRG-UHFFFAOYSA-N -1 0 349.724 3.762 20 0 EHADRM Cc1ccnc(-c2noc(-c3cc(Cc4ccccc4)ccc3O)n2)n1 ZINC000436955669 1021421275 /nfs/dbraw/zinc/42/12/75/1021421275.db2.gz HVGYRURVEBQULU-UHFFFAOYSA-N -1 0 344.374 3.798 20 0 EHADRM CCC1(CC)[C@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)C[C@H]1OC ZINC000436957583 1021421813 /nfs/dbraw/zinc/42/18/13/1021421813.db2.gz YNXICUYEUPQSHB-CHWSQXEVSA-N -1 0 329.799 3.508 20 0 EHADRM Cc1ccc2c(CC(=O)[N-]S(=O)(=O)Cc3ccccc3)coc2c1 ZINC000048595866 1021424228 /nfs/dbraw/zinc/42/42/28/1021424228.db2.gz PUJRVUHYHDIELL-UHFFFAOYSA-N -1 0 343.404 3.770 20 0 EHADRM COc1ccc2cc(NC(=O)c3cc(F)c([O-])c(Cl)c3)ccc2n1 ZINC000436974024 1021427063 /nfs/dbraw/zinc/42/70/63/1021427063.db2.gz WNSUYZJFNNJDNP-UHFFFAOYSA-N -1 0 346.745 3.994 20 0 EHADRM CC1CCC(N(C[C@H]2CCCO2)C(=O)c2c([O-])cccc2F)CC1 ZINC000436981117 1021436343 /nfs/dbraw/zinc/43/63/43/1021436343.db2.gz PTBRVLYRDLXIAS-YMAMQOFZSA-N -1 0 335.419 3.731 20 0 EHADRM CC[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1nc2ccccc2[nH]1 ZINC000436970203 1021442236 /nfs/dbraw/zinc/44/22/36/1021442236.db2.gz CTUBJUDUDGTRNR-LBPRGKRZSA-N -1 0 347.777 3.942 20 0 EHADRM COc1cc(NC(=O)CC2(C(=O)[O-])CCCCCC2)c(C)c(OC)c1 ZINC000507711863 1021465431 /nfs/dbraw/zinc/46/54/31/1021465431.db2.gz WNQZFWBHAXJMNB-UHFFFAOYSA-N -1 0 349.427 3.766 20 0 EHADRM CC(C)[C@H](Sc1ccccc1)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000341346483 1021479935 /nfs/dbraw/zinc/47/99/35/1021479935.db2.gz GRJSSOZQFVHPFI-URLQWDBASA-N -1 0 347.480 3.517 20 0 EHADRM COCCCC[C@@H](N=c1nc(C(F)(F)F)[n-]s1)c1ccccc1 ZINC000516557522 1021557051 /nfs/dbraw/zinc/55/70/51/1021557051.db2.gz SCLFILUIOAOPHK-GFCCVEGCSA-N -1 0 345.390 3.949 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CC2(CCC2)[C@@H]1C1CC1 ZINC000518794486 1021569107 /nfs/dbraw/zinc/56/91/07/1021569107.db2.gz FLYVUJLJRJUXTL-AWEZNQCLSA-N -1 0 325.330 3.816 20 0 EHADRM Cc1c(Cl)cc(F)c(NC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1F ZINC000519704208 1021618005 /nfs/dbraw/zinc/61/80/05/1021618005.db2.gz HBRAMHSPEHLMJD-CBAPKCEASA-N -1 0 346.761 3.501 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cn1 ZINC000516679697 1021655007 /nfs/dbraw/zinc/65/50/07/1021655007.db2.gz YPOHXVOTDKDJNZ-UHFFFAOYSA-N -1 0 330.381 3.542 20 0 EHADRM CC[C@@H](C)n1ncc2c1nc(/C=C\c1c(C)n[nH]c1C)cc2C(=O)[O-] ZINC000519824431 1021717007 /nfs/dbraw/zinc/71/70/07/1021717007.db2.gz OIELBRNATOPKMR-JYESYGNLSA-N -1 0 339.399 3.611 20 0 EHADRM O=S(=O)([N-][C@@H]1CCC[C@@H]1c1ccccc1)c1c(F)cccc1F ZINC000518967370 1021722462 /nfs/dbraw/zinc/72/24/62/1021722462.db2.gz LOKKSZLCZSEBRY-CZUORRHYSA-N -1 0 337.391 3.579 20 0 EHADRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccnn1-c1ccccc1 ZINC000437316004 1021725778 /nfs/dbraw/zinc/72/57/78/1021725778.db2.gz SWTSNJZCHPLBDJ-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2ncc(C(C)C)s2)cc1C ZINC000437308648 1021731605 /nfs/dbraw/zinc/73/16/05/1021731605.db2.gz MHXMUIKBKGLVEU-UHFFFAOYSA-N -1 0 340.470 3.693 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nc3c(s2)CCCC3)cc(C)c1F ZINC000437340891 1021736877 /nfs/dbraw/zinc/73/68/77/1021736877.db2.gz KZMINGTYUOVRKH-UHFFFAOYSA-N -1 0 340.445 3.579 20 0 EHADRM CCN(Cc1c([O-])nnn1-c1ccccc1)Cc1ccc(Cl)cc1 ZINC000519885540 1021745196 /nfs/dbraw/zinc/74/51/96/1021745196.db2.gz DWWCSUVOUPTXKC-UHFFFAOYSA-N -1 0 342.830 3.648 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2nc3cc(F)ccc3n2C)c1 ZINC000437345871 1021759217 /nfs/dbraw/zinc/75/92/17/1021759217.db2.gz WYOIKBJRBMOXIP-UHFFFAOYSA-N -1 0 347.415 3.637 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(C2CCC2)cc1 ZINC000439900294 1021813612 /nfs/dbraw/zinc/81/36/12/1021813612.db2.gz ISCPLYNNDIBLLX-SQNIBIBYSA-N -1 0 327.424 3.812 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(C2CCC2)cc1 ZINC000439900289 1021814495 /nfs/dbraw/zinc/81/44/95/1021814495.db2.gz ISCPLYNNDIBLLX-BZSNNMDCSA-N -1 0 327.424 3.812 20 0 EHADRM CCSc1ccc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000439926204 1021832651 /nfs/dbraw/zinc/83/26/51/1021832651.db2.gz VZAGYPCKGWBXNP-CXAGYDPISA-N -1 0 343.448 3.990 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000581834389 1021851118 /nfs/dbraw/zinc/85/11/18/1021851118.db2.gz NAKZBYNZLLUKMR-GXTWGEPZSA-N -1 0 325.330 3.672 20 0 EHADRM CN(C)C(=O)N(CC1CC1)[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000548247388 1021873758 /nfs/dbraw/zinc/87/37/58/1021873758.db2.gz LTZPVYCSYYLSGZ-ZDUSSCGKSA-N -1 0 345.226 3.513 20 0 EHADRM Cc1n[n-]c(=NC[C@@H](C)Sc2ccc(Br)cc2)s1 ZINC000607145320 1033013128 /nfs/dbraw/zinc/01/31/28/1033013128.db2.gz BISDQORWHIHWDC-MRVPVSSYSA-N -1 0 344.303 3.624 20 0 EHADRM COCCc1nc(=N[C@H](CC(C)(C)C)c2ccc(F)cc2)s[n-]1 ZINC000426549263 1021886155 /nfs/dbraw/zinc/88/61/55/1021886155.db2.gz PPDQXKPQEFEQDX-CQSZACIVSA-N -1 0 337.464 3.877 20 0 EHADRM C[C@]12CC3CC(C(=O)N4C[C@H]5CCC[C@]5(C(=O)[O-])C4)(C1)C[C@@](C)(C3)C2 ZINC000341440238 1021901772 /nfs/dbraw/zinc/90/17/72/1021901772.db2.gz XVQLCQOMHLVCBH-QYROULPZSA-N -1 0 345.483 3.696 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(-c3ncco3)c2)s1 ZINC000164744345 1021919387 /nfs/dbraw/zinc/91/93/87/1021919387.db2.gz CTZLOUQITYWBBP-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM C/C=C/c1ccc(NS(=O)(=O)c2ccc(OCCOC)cc2)cc1 ZINC000516992648 1021926941 /nfs/dbraw/zinc/92/69/41/1021926941.db2.gz OUVBEUQTGBCOKO-ONEGZZNKSA-N -1 0 347.436 3.546 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000517068886 1021995798 /nfs/dbraw/zinc/99/57/98/1021995798.db2.gz UGNHUZFEZRQBAL-UHFFFAOYSA-N -1 0 332.322 3.510 20 0 EHADRM CC1CCC(N(C)C(=O)c2cccc(Br)c2[O-])CC1 ZINC000519331803 1022019181 /nfs/dbraw/zinc/01/91/81/1022019181.db2.gz CYHOQPMSXSCSPO-UHFFFAOYSA-N -1 0 326.234 3.805 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N[C@@H]2C[C@H]2Cc2ccccc2)s1 ZINC000437649664 1022021300 /nfs/dbraw/zinc/02/13/00/1022021300.db2.gz YUAIDXBSOBHPPM-HUUCEWRRSA-N -1 0 344.484 3.616 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2cc(C)c(F)cc2F)cc1 ZINC000440297162 1022075272 /nfs/dbraw/zinc/07/52/72/1022075272.db2.gz XQHKYRKZLOMJQT-UHFFFAOYSA-N -1 0 329.393 3.796 20 0 EHADRM Cc1ccc(Cc2n[n-]c(=NC(=O)N3CCC[C@@H]3C(C)C)s2)cc1 ZINC000519449962 1022113048 /nfs/dbraw/zinc/11/30/48/1022113048.db2.gz QEOWLIXDHYJAJP-OAHLLOKOSA-N -1 0 344.484 3.512 20 0 EHADRM CC(C)C(=O)Nc1ccc(NC(=O)CC2CCC(C(=O)[O-])CC2)cc1 ZINC000578654879 1022126698 /nfs/dbraw/zinc/12/66/98/1022126698.db2.gz LGMCBAJLSZXUKT-UHFFFAOYSA-N -1 0 346.427 3.501 20 0 EHADRM CC[C@H](c1n[n-]c(=NC(=O)N(C)CCC2CC2)s1)c1ccccc1 ZINC000437800246 1022153747 /nfs/dbraw/zinc/15/37/47/1022153747.db2.gz NGKFAIJDARBBTG-HNNXBMFYSA-N -1 0 344.484 3.766 20 0 EHADRM O=C(C[C@@H]1CSc2ccccc2O1)Nc1ccc(F)c(F)c1[O-] ZINC001625991724 1033033395 /nfs/dbraw/zinc/03/33/95/1033033395.db2.gz GJNMVJLBJJRSMD-SECBINFHSA-N -1 0 337.347 3.552 20 0 EHADRM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccccc2SC)c1 ZINC000188414346 1022226107 /nfs/dbraw/zinc/22/61/07/1022226107.db2.gz QMNAQUFZNLWCIX-GFCCVEGCSA-N -1 0 337.466 3.917 20 0 EHADRM Brc1ccc2[nH]c3c(c2c1)CCC[C@@H]3N=c1[n-]ncs1 ZINC000519521744 1022236658 /nfs/dbraw/zinc/23/66/58/1022236658.db2.gz DLJGQVXIWSAPKE-LBPRGKRZSA-N -1 0 349.257 3.693 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccccc2)s1)N1CCCC2(CCCC2)C1 ZINC000437935203 1022276673 /nfs/dbraw/zinc/27/66/73/1022276673.db2.gz RSQWYQWOUYMKQA-UHFFFAOYSA-N -1 0 342.468 3.815 20 0 EHADRM Cc1c(C)c(C)c(C[N-]S(=O)(=O)[C@@H](C)C(F)(F)F)c(C)c1C ZINC000546778372 1022286164 /nfs/dbraw/zinc/28/61/64/1022286164.db2.gz KSSIWNUCUGSZKA-ZDUSSCGKSA-N -1 0 337.407 3.599 20 0 EHADRM O=C([O-])CC1(NC(=O)CCCc2cc(Cl)sc2Cl)CC1 ZINC000519540322 1022310165 /nfs/dbraw/zinc/31/01/65/1022310165.db2.gz GPGIBZYEEWPKSE-UHFFFAOYSA-N -1 0 336.240 3.501 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c1 ZINC000112850699 1022348037 /nfs/dbraw/zinc/34/80/37/1022348037.db2.gz AHQYVXBBZWINRL-UHFFFAOYSA-N -1 0 336.800 3.631 20 0 EHADRM CC[C@H]1CCC[C@H](NC(=O)N=c2[n-]nc(-c3ccsc3)s2)C1 ZINC000607201576 1033053322 /nfs/dbraw/zinc/05/33/22/1033053322.db2.gz PWKQISMEBMRDBX-JQWIXIFHSA-N -1 0 336.486 3.779 20 0 EHADRM O=C(c1nn(-c2ccccc2)cc1[O-])N1CCCC12CCCCC2 ZINC000328890533 1022529668 /nfs/dbraw/zinc/52/96/68/1022529668.db2.gz RUJIGKICGPKQCB-UHFFFAOYSA-N -1 0 325.412 3.517 20 0 EHADRM CCn1nc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)cc1C1CC1 ZINC000425973758 1022537044 /nfs/dbraw/zinc/53/70/44/1022537044.db2.gz AZRWAMCWKDDJLN-UHFFFAOYSA-N -1 0 347.484 3.780 20 0 EHADRM Cc1cccc(NC(=O)CC2(C(=O)[O-])CCCC2)c1Br ZINC000131131499 1022568361 /nfs/dbraw/zinc/56/83/61/1022568361.db2.gz DBBQJJZKNXTGGU-UHFFFAOYSA-N -1 0 340.217 3.731 20 0 EHADRM [O-]c1cc(Br)ccc1-c1nc(Cc2ccccc2F)no1 ZINC000111689128 1022705387 /nfs/dbraw/zinc/70/53/87/1022705387.db2.gz OQVMVNCDPJSCIQ-UHFFFAOYSA-N -1 0 349.159 3.935 20 0 EHADRM Cc1ccnc(-c2noc(-c3ccc(Br)cc3[O-])n2)c1 ZINC000111688650 1022705859 /nfs/dbraw/zinc/70/58/59/1022705859.db2.gz XFYSHLUXHUFLLJ-UHFFFAOYSA-N -1 0 332.157 3.575 20 0 EHADRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(C)c(F)cc2F)c1C ZINC000331087890 1022739413 /nfs/dbraw/zinc/73/94/13/1022739413.db2.gz FCTVAQDZPPHNLD-JTQLQIEISA-N -1 0 343.399 3.550 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)ccn1)c1cccc(Cl)c1Cl ZINC000088330018 1022751415 /nfs/dbraw/zinc/75/14/15/1022751415.db2.gz WPJQXUYWVXATLT-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM CC(=C([O-])c1cc(F)ccc1F)S(=O)(=O)c1ccccc1Cl ZINC000428021074 1022774656 /nfs/dbraw/zinc/77/46/56/1022774656.db2.gz DWXSVCFOKOOYNI-VIFPVBQESA-N -1 0 344.766 3.663 20 0 EHADRM Cc1cc(F)c(C([O-])=CS(=O)(=O)c2ccccc2Cl)cc1F ZINC000428025939 1022820821 /nfs/dbraw/zinc/82/08/21/1022820821.db2.gz WOCWWVZBVNSKTD-UHFFFAOYSA-N -1 0 344.766 3.583 20 0 EHADRM CC[C@@H]1C[C@@H](C)CN1C(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000473819440 1022860402 /nfs/dbraw/zinc/86/04/02/1022860402.db2.gz NZBCQWLXXFAYBB-MWLCHTKSSA-N -1 0 336.486 3.649 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cnc3ccccc3c2)c1 ZINC000112266177 1022913237 /nfs/dbraw/zinc/91/32/37/1022913237.db2.gz YDKYTEZGUOGZQI-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM C[C@H](C(=O)N=c1nc(C(C)(C)C)[n-]s1)c1ccc(Cl)s1 ZINC000426713761 1022978907 /nfs/dbraw/zinc/97/89/07/1022978907.db2.gz JUZVKRHBHSBGIZ-ZETCQYMHSA-N -1 0 329.878 3.715 20 0 EHADRM Cc1ncccc1NC(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000341682749 1023003452 /nfs/dbraw/zinc/00/34/52/1023003452.db2.gz XOAZDRFRCDKZSC-UHFFFAOYSA-N -1 0 336.395 3.657 20 0 EHADRM COc1ccc(CN[C@H](C(=O)[O-])c2c(F)cccc2F)c(Cl)c1 ZINC000426738446 1023008336 /nfs/dbraw/zinc/00/83/36/1023008336.db2.gz WGOJGUYGQYITRJ-HNNXBMFYSA-N -1 0 341.741 3.542 20 0 EHADRM CO[C@H](C)c1nc(=N[C@@H](C)c2cccc(OC(F)(F)F)c2)s[n-]1 ZINC000509547041 1023023840 /nfs/dbraw/zinc/02/38/40/1023023840.db2.gz YFCUOTMYPZZYEE-DTWKUNHWSA-N -1 0 347.362 3.739 20 0 EHADRM CC(C)CCOc1ccc([N-]S(=O)(=O)c2ccco2)cc1F ZINC000655599525 1023032740 /nfs/dbraw/zinc/03/27/40/1023032740.db2.gz VJHFSYLRUOKNCF-UHFFFAOYSA-N -1 0 327.377 3.644 20 0 EHADRM Cc1ccc([C@@H]2OCCC[C@H]2N=c2[n-]nc(C(F)(F)F)s2)cc1 ZINC000509543758 1023036096 /nfs/dbraw/zinc/03/60/96/1023036096.db2.gz UQJGEIGOJLWHQM-NEPJUHHUSA-N -1 0 343.374 3.619 20 0 EHADRM C[C@H]1CCc2nc(CN[C@@H](CC(=O)[O-])c3ccc(F)cc3)sc2C1 ZINC000426766875 1023044332 /nfs/dbraw/zinc/04/43/32/1023044332.db2.gz HSTDBBIATSKXDT-NHYWBVRUSA-N -1 0 348.443 3.713 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCc2c([nH]c3ccccc32)C1 ZINC000089926903 1023046316 /nfs/dbraw/zinc/04/63/16/1023046316.db2.gz NLABRZMZTDOUBG-UHFFFAOYSA-N -1 0 344.773 3.865 20 0 EHADRM CCc1cccc(CC)c1S(=O)(=O)[N-]c1cnc(C(C)C)nc1 ZINC000684534715 1023052299 /nfs/dbraw/zinc/05/22/99/1023052299.db2.gz GPKGQFRNJYURDT-UHFFFAOYSA-N -1 0 333.457 3.526 20 0 EHADRM O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1cnc2ccccc2c1 ZINC000430976032 1023055269 /nfs/dbraw/zinc/05/52/69/1023055269.db2.gz QAWOQFIMBHMFMT-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM COc1ccccc1[C@@H](NCc1cc2ccccc2s1)C(=O)[O-] ZINC000426815581 1023063344 /nfs/dbraw/zinc/06/33/44/1023063344.db2.gz GDUYYCAQXIRVFG-QGZVFWFLSA-N -1 0 327.405 3.825 20 0 EHADRM Cc1cc2cccnc2c([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000506994910 1023067478 /nfs/dbraw/zinc/06/74/78/1023067478.db2.gz LNVYEHNAPBEMTD-UHFFFAOYSA-N -1 0 326.421 3.961 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cc(C)cc3cccnc32)s1 ZINC000506995702 1023069663 /nfs/dbraw/zinc/06/96/63/1023069663.db2.gz UHNJVCYDNQRGPA-UHFFFAOYSA-N -1 0 332.450 3.968 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)c(F)c1)c1cnc2ccccc2c1 ZINC000430978738 1023074428 /nfs/dbraw/zinc/07/44/28/1023074428.db2.gz KWSRAHUWRKYAIM-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM Cc1ccc(NS(=O)(=O)c2cnc3ccccc3c2)c(Cl)c1 ZINC000430980241 1023074573 /nfs/dbraw/zinc/07/45/73/1023074573.db2.gz RKOLUJDCJALTPO-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM O=C([O-])c1cccc(C(=O)N[C@@H](CC(F)(F)F)c2ccccc2)c1 ZINC000341708128 1023078619 /nfs/dbraw/zinc/07/86/19/1023078619.db2.gz BRNDLKIMMJWUQJ-AWEZNQCLSA-N -1 0 337.297 3.808 20 0 EHADRM Cc1ncsc1CN=c1[n-]nc([C@@H]2CCCc3ccccc32)s1 ZINC000520486903 1023220761 /nfs/dbraw/zinc/22/07/61/1023220761.db2.gz YHQFXCDOKYZAHD-CQSZACIVSA-N -1 0 342.493 3.805 20 0 EHADRM Cc1nc2ccc(S(=O)(=O)[N-]c3cc(F)cc(F)c3)cc2s1 ZINC000427128121 1023237701 /nfs/dbraw/zinc/23/77/01/1023237701.db2.gz YROJOXSSGZCTGF-UHFFFAOYSA-N -1 0 340.376 3.684 20 0 EHADRM CSc1c(F)cccc1C(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000439079386 1023252650 /nfs/dbraw/zinc/25/26/50/1023252650.db2.gz ONLRNRQOROAYBE-UHFFFAOYSA-N -1 0 339.395 3.679 20 0 EHADRM COc1cc(-c2cccc([C@@H](C)C(=O)[O-])c2)cnc1C(F)(F)F ZINC000567063077 1023255282 /nfs/dbraw/zinc/25/52/82/1023255282.db2.gz OIHXFDFHLKZPIB-SECBINFHSA-N -1 0 325.286 3.964 20 0 EHADRM CCC(CC)(CC(=O)NCCOc1ccc(C(C)C)cc1)C(=O)[O-] ZINC000614570924 1023298140 /nfs/dbraw/zinc/29/81/40/1023298140.db2.gz XNQDEBFXHUSACH-UHFFFAOYSA-N -1 0 335.444 3.586 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cnn(CCC(C)C)c2C)s1 ZINC000431142121 1023326756 /nfs/dbraw/zinc/32/67/56/1023326756.db2.gz ZWVZODHGLNWNLW-UHFFFAOYSA-N -1 0 341.502 3.717 20 0 EHADRM CCc1cc(C)cc(CC)c1NC(=O)C[C@@]1(C(=O)[O-])CCSC1 ZINC000684558816 1023328096 /nfs/dbraw/zinc/32/80/96/1023328096.db2.gz OACUAKOVVFRFPC-SFHVURJKSA-N -1 0 335.469 3.656 20 0 EHADRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2sc(C)cc2C)c1C ZINC000431152197 1023346941 /nfs/dbraw/zinc/34/69/41/1023346941.db2.gz MNSURBSMKOWRRV-SNVBAGLBSA-N -1 0 327.475 3.642 20 0 EHADRM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1ccc(F)c2ccccc12 ZINC000684568255 1023418206 /nfs/dbraw/zinc/41/82/06/1023418206.db2.gz OVFPRMHOSCFOJY-UHFFFAOYSA-N -1 0 349.321 3.575 20 0 EHADRM CCC[C@@H](NC(=O)N=c1ccc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000471955113 1023418315 /nfs/dbraw/zinc/41/83/15/1023418315.db2.gz ALLDRZZMHHFAQQ-GFCCVEGCSA-N -1 0 338.333 3.580 20 0 EHADRM CC(C)(C)OCCCNS(=O)(=O)c1cc(Cl)sc1Cl ZINC000657134031 1023512338 /nfs/dbraw/zinc/51/23/38/1023512338.db2.gz ICJPZGPBUNRGMU-UHFFFAOYSA-N -1 0 346.301 3.538 20 0 EHADRM CCOc1cc([N-]S(=O)(=O)c2cc3ccccc3o2)ccc1OC ZINC000131733071 1023532305 /nfs/dbraw/zinc/53/23/05/1023532305.db2.gz XCYDYUQOAZPJOB-UHFFFAOYSA-N -1 0 347.392 3.641 20 0 EHADRM CSc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)COC2 ZINC000471979119 1023695222 /nfs/dbraw/zinc/69/52/22/1023695222.db2.gz QKACPDNBCPENAM-UHFFFAOYSA-N -1 0 335.450 3.548 20 0 EHADRM Cc1cccc2c(CCC(=O)N=c3nc(C(C)(C)C)[n-]s3)c[nH]c21 ZINC000607491447 1033160199 /nfs/dbraw/zinc/16/01/99/1033160199.db2.gz IZJUWKTVAXTTMJ-UHFFFAOYSA-N -1 0 342.468 3.619 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cn2)cc1F ZINC000598371313 1033164285 /nfs/dbraw/zinc/16/42/85/1033164285.db2.gz GIVBAVVLTPKOPF-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM CCC(=O)c1cccc(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])c1 ZINC000574473604 1033165389 /nfs/dbraw/zinc/16/53/89/1033165389.db2.gz YKSGFPVXPKCNJY-INIZCTEOSA-N -1 0 346.427 3.824 20 0 EHADRM CCCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000471990107 1023929413 /nfs/dbraw/zinc/92/94/13/1023929413.db2.gz CXQLPJCDLCRKOI-UHFFFAOYSA-N -1 0 347.484 3.706 20 0 EHADRM CC(C)Sc1ccc(C(=O)N(CC(=O)[O-])Cc2ccccc2)cc1 ZINC000346027446 1023963716 /nfs/dbraw/zinc/96/37/16/1023963716.db2.gz NYRIDENBDULLAB-UHFFFAOYSA-N -1 0 343.448 3.914 20 0 EHADRM F[C@H](CSc1n[n-]c(=NC2CCCCC2)s1)C(F)(F)F ZINC000443472674 1024018880 /nfs/dbraw/zinc/01/88/80/1024018880.db2.gz DAUFCUBLVMCRQS-MRVPVSSYSA-N -1 0 329.388 3.697 20 0 EHADRM Fc1ccccc1N=c1[n-]nc(SC[C@H](F)C(F)(F)F)s1 ZINC000443473375 1024019998 /nfs/dbraw/zinc/01/99/98/1024019998.db2.gz HVHMBNPDVGQLLV-QMMMGPOBSA-N -1 0 341.330 3.835 20 0 EHADRM CC(C)c1cnc(CN[C@H](CCCc2ccccc2)C(=O)[O-])s1 ZINC000417560702 1024036799 /nfs/dbraw/zinc/03/67/99/1024036799.db2.gz AKNYNHRWMCBERT-OAHLLOKOSA-N -1 0 332.469 3.832 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000522539934 1024051907 /nfs/dbraw/zinc/05/19/07/1024051907.db2.gz ODVYZEIMANJKRY-ZWKOTPCHSA-N -1 0 329.403 3.671 20 0 EHADRM CN(C(=O)CCc1ccc(Cl)s1)C1(C(=O)[O-])CCCCC1 ZINC000191282120 1024067267 /nfs/dbraw/zinc/06/72/67/1024067267.db2.gz UUNOUCTUIJVSGT-UHFFFAOYSA-N -1 0 329.849 3.580 20 0 EHADRM Cc1cc(Sc2n[n-]c(=NC3CCCCC3)s2)nc(C2CC2)n1 ZINC000522569851 1024080352 /nfs/dbraw/zinc/08/03/52/1024080352.db2.gz HEFVYIBMVVVZED-UHFFFAOYSA-N -1 0 347.513 3.832 20 0 EHADRM CCc1nc(CN[C@H](C(=O)[O-])c2c(Cl)cccc2Cl)cs1 ZINC000417570663 1024091842 /nfs/dbraw/zinc/09/18/42/1024091842.db2.gz WMYGXCCFTXMJBA-ZDUSSCGKSA-N -1 0 345.251 3.928 20 0 EHADRM C[C@H](NC(=O)N=c1nc(C(C)(C)C)[n-]s1)C(C)(C)c1ccccc1 ZINC000522619578 1024120825 /nfs/dbraw/zinc/12/08/25/1024120825.db2.gz SQXKEGSPTBEZCA-LBPRGKRZSA-N -1 0 346.500 3.745 20 0 EHADRM COc1ccc(-c2cccc(C3(C(=O)[O-])CCCC3)c2)c(CO)c1 ZINC000657207356 1024130557 /nfs/dbraw/zinc/13/05/57/1024130557.db2.gz JXLDJHNCMBMWLJ-UHFFFAOYSA-N -1 0 326.392 3.751 20 0 EHADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)CCCc1ccccc1 ZINC000191543921 1024131465 /nfs/dbraw/zinc/13/14/65/1024131465.db2.gz GMCPXGZGRWSOIY-LJQANCHMSA-N -1 0 339.435 3.602 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])C(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000634816156 1024185420 /nfs/dbraw/zinc/18/54/20/1024185420.db2.gz CLOICCCRMFITKO-WMZOPIPTSA-N -1 0 349.427 3.984 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)N2CCCC(C)(C)C2)s[n-]1 ZINC000329794551 1024198437 /nfs/dbraw/zinc/19/84/37/1024198437.db2.gz CDJOJRXNLXPCJS-UHFFFAOYSA-N -1 0 336.486 3.651 20 0 EHADRM CC(C)C[C@H]1OCCC[C@@H]1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000192548144 1024256247 /nfs/dbraw/zinc/25/62/47/1024256247.db2.gz NRXNMQTUKKYCLV-UONOGXRCSA-N -1 0 329.799 3.508 20 0 EHADRM CC[C@@H](CC(=O)NCC1(C(=O)[O-])CCCCC1)c1ccc(OC)cc1 ZINC000192920679 1024290361 /nfs/dbraw/zinc/29/03/61/1024290361.db2.gz WFMRRFAHJCVNNQ-HNNXBMFYSA-N -1 0 347.455 3.730 20 0 EHADRM CC[C@@H](C)c1cc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)on1 ZINC000191409814 1024301106 /nfs/dbraw/zinc/30/11/06/1024301106.db2.gz SUXLXGFCRFSVRV-NEPJUHHUSA-N -1 0 330.384 3.704 20 0 EHADRM CC[C@H](CC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000193095717 1024306349 /nfs/dbraw/zinc/30/63/49/1024306349.db2.gz YSAPPKQTDBCKAK-IERDGZPVSA-N -1 0 339.435 3.729 20 0 EHADRM O=S(=O)([N-]c1ccc2ncccc2c1)c1cnc2ccccc2c1 ZINC000430083513 1024341244 /nfs/dbraw/zinc/34/12/44/1024341244.db2.gz HPMCAZFYDOPFLU-UHFFFAOYSA-N -1 0 335.388 3.584 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2c(C)nn(C(C)C)c2C)c1 ZINC000522364243 1024349722 /nfs/dbraw/zinc/34/97/22/1024349722.db2.gz QFSPWVLEGFLQRC-UHFFFAOYSA-N -1 0 339.486 3.604 20 0 EHADRM Cc1cc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c(C)n1C1CCCCC1 ZINC000194455382 1024422574 /nfs/dbraw/zinc/42/25/74/1024422574.db2.gz SIPLTYYJTWXLHN-LSDHHAIUSA-N -1 0 332.444 3.593 20 0 EHADRM CC[C@@H](CSc1ccc(C)c(C)c1)N=c1nc(COC)[n-]s1 ZINC000443705013 1024466979 /nfs/dbraw/zinc/46/69/79/1024466979.db2.gz GCQFOHARPWNVSH-ZDUSSCGKSA-N -1 0 337.514 3.706 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)[C@H]2CCC[C@@H](F)C2)c1 ZINC000425245291 1024503231 /nfs/dbraw/zinc/50/32/31/1024503231.db2.gz ULRANMULNXAKLE-UONOGXRCSA-N -1 0 339.432 3.861 20 0 EHADRM Cc1ccc(C(C)(C)C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000262132912 1024586746 /nfs/dbraw/zinc/58/67/46/1024586746.db2.gz HTJNTFIRBQUCQQ-UHFFFAOYSA-N -1 0 337.419 3.556 20 0 EHADRM CCOc1ccc(C[C@H](C)C(=O)Nc2cc(C(C)=O)ccc2[O-])cc1 ZINC000665410206 1024703672 /nfs/dbraw/zinc/70/36/72/1024703672.db2.gz BZUONHCMRZKNFX-ZDUSSCGKSA-N -1 0 341.407 3.811 20 0 EHADRM COCc1cc(NC(=O)c2cc(Cl)ccc2C)cc(C(=O)[O-])c1 ZINC000427679354 1024729085 /nfs/dbraw/zinc/72/90/85/1024729085.db2.gz PUDZDNHAFDDGOS-UHFFFAOYSA-N -1 0 333.771 3.745 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cn(C)nc2C(C)C)cc1 ZINC000281222463 1024759877 /nfs/dbraw/zinc/75/98/77/1024759877.db2.gz UBAOXLMRFVQKOG-ZDUSSCGKSA-N -1 0 335.473 3.858 20 0 EHADRM O=S(=O)([N-]c1ccc(F)c(C(F)(F)F)c1)c1cccs1 ZINC000034256729 1024765990 /nfs/dbraw/zinc/76/59/90/1024765990.db2.gz ARBGROSXKLONQX-UHFFFAOYSA-N -1 0 325.308 3.707 20 0 EHADRM COCCc1ccccc1[N-]S(=O)(=O)c1csc2ccccc21 ZINC000507936287 1024773772 /nfs/dbraw/zinc/77/37/72/1024773772.db2.gz PSIIDDFEUMJVOS-UHFFFAOYSA-N -1 0 347.461 3.891 20 0 EHADRM C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1[O-])N(C)CC(F)(F)F ZINC000281213305 1024776682 /nfs/dbraw/zinc/77/66/82/1024776682.db2.gz NXMPXFOEMMTUHS-ZCFIWIBFSA-N -1 0 345.148 3.520 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2Nc2ccccc2)cn1 ZINC000507946937 1024790782 /nfs/dbraw/zinc/79/07/82/1024790782.db2.gz AOQUINLUNAIFRM-UHFFFAOYSA-N -1 0 339.420 3.934 20 0 EHADRM O=S(=O)(Cc1cccc(F)c1)[N-]c1noc2ccc(Cl)cc21 ZINC000427783581 1024791958 /nfs/dbraw/zinc/79/19/58/1024791958.db2.gz QXYFVJCQHIYXCM-UHFFFAOYSA-N -1 0 340.763 3.562 20 0 EHADRM Cc1cc(Nc2ncc(Br)cc2F)cc(C(=O)[O-])c1 ZINC001211537262 1024877365 /nfs/dbraw/zinc/87/73/65/1024877365.db2.gz ALFYQKXAZYQJLG-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM CC[C@H](CNC(=O)N(CC(=O)[O-])C1CCCCC1)c1ccccc1 ZINC000684714135 1024884599 /nfs/dbraw/zinc/88/45/99/1024884599.db2.gz KACMGNZFPTVYNC-OAHLLOKOSA-N -1 0 332.444 3.609 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@@]1(c2ccccc2)C[C@H](F)C1 ZINC000909462935 1024887249 /nfs/dbraw/zinc/88/72/49/1024887249.db2.gz KJRNOSPEMXBUJQ-RUCARUNLSA-N -1 0 335.419 3.598 20 0 EHADRM CO[C@H](C)Cc1nc(=O)c2sc(-c3ccccc3Cl)cc2[n-]1 ZINC000157354290 1024890585 /nfs/dbraw/zinc/89/05/85/1024890585.db2.gz FCVZIBWFZKPGNX-SECBINFHSA-N -1 0 334.828 3.882 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)[nH]n2)cc1Cl ZINC000474412160 1024905862 /nfs/dbraw/zinc/90/58/62/1024905862.db2.gz LKUNLAKGGHUSTG-UHFFFAOYSA-N -1 0 339.848 3.830 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)N[C@@H](CC)c1ccc(Cl)cc1)C1CC1 ZINC000684717605 1024939470 /nfs/dbraw/zinc/93/94/70/1024939470.db2.gz LLTNAVGAMCNYKW-LSDHHAIUSA-N -1 0 338.835 3.828 20 0 EHADRM CCCN(C(=O)N[C@H](C)c1cc2ccccc2o1)[C@H](CC)C(=O)[O-] ZINC000684717663 1024940162 /nfs/dbraw/zinc/94/01/62/1024940162.db2.gz YLHBZOYRSBFLJT-TZMCWYRMSA-N -1 0 332.400 3.779 20 0 EHADRM O=S(=O)([N-]c1cncc(F)c1)c1cccc(-c2ccccc2)c1 ZINC000508229535 1024963123 /nfs/dbraw/zinc/96/31/23/1024963123.db2.gz FIZOUNLCDQKCGF-UHFFFAOYSA-N -1 0 328.368 3.689 20 0 EHADRM COc1ccc(OCCC(=O)Nc2cc(F)cc(Cl)c2[O-])cc1 ZINC000474446260 1024981694 /nfs/dbraw/zinc/98/16/94/1024981694.db2.gz OHTHZBOWFXHWQA-UHFFFAOYSA-N -1 0 339.750 3.601 20 0 EHADRM CCc1n[n-]c(=NC(=O)N[C@@H](c2ccc(Cl)cc2)C(C)C)s1 ZINC000515106005 1025025098 /nfs/dbraw/zinc/02/50/98/1025025098.db2.gz DQJGPZARIKWZQL-CYBMUJFWSA-N -1 0 338.864 3.695 20 0 EHADRM O=C([O-])CN(C(=O)N[C@@H]1CCCc2sccc21)C1CCCCC1 ZINC000684729206 1025075988 /nfs/dbraw/zinc/07/59/88/1025075988.db2.gz PDMDCNBWRUMXRM-CQSZACIVSA-N -1 0 336.457 3.554 20 0 EHADRM Cc1cc(F)c(S(=O)(=O)[N-]c2nc(C3CCC3)cs2)cc1F ZINC000582042272 1025079653 /nfs/dbraw/zinc/07/96/53/1025079653.db2.gz FFDVJXQGNOQLMK-UHFFFAOYSA-N -1 0 344.408 3.798 20 0 EHADRM CCN=c1[n-]nc(SCc2nc(-c3ccccc3)cs2)s1 ZINC000435693387 1025084867 /nfs/dbraw/zinc/08/48/67/1025084867.db2.gz TUEUBFZDSONPSX-UHFFFAOYSA-N -1 0 334.495 3.808 20 0 EHADRM Cc1csc(-c2cccc(NC(=O)C3CCC(C(=O)[O-])CC3)c2)n1 ZINC000435717217 1025104449 /nfs/dbraw/zinc/10/44/49/1025104449.db2.gz ZXRUCKRAJFFWPC-UHFFFAOYSA-N -1 0 344.436 3.948 20 0 EHADRM CCSc1n[n-]c(=NC(=O)NCCCC2CCCCC2)s1 ZINC000515226985 1025108417 /nfs/dbraw/zinc/10/84/17/1025108417.db2.gz NALVTHOKCDNTGY-UHFFFAOYSA-N -1 0 328.507 3.554 20 0 EHADRM CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2cc3ccccc3o2)c1 ZINC000520912291 1025124757 /nfs/dbraw/zinc/12/47/57/1025124757.db2.gz OALVCHSHNYDLMI-UHFFFAOYSA-N -1 0 345.376 3.532 20 0 EHADRM Cc1cc(OC(C)C)ccc1NC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000521006342 1025161236 /nfs/dbraw/zinc/16/12/36/1025161236.db2.gz YICXLCWJTYEOGP-IFXJQAMLSA-N -1 0 346.427 3.501 20 0 EHADRM Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)c(C)n1C1CCCCC1 ZINC000521025854 1025171007 /nfs/dbraw/zinc/17/10/07/1025171007.db2.gz WUCIRBFSHUJEMA-CJNGLKHVSA-N -1 0 346.471 3.935 20 0 EHADRM CCCCc1ccc(CC(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000327616046 1025175856 /nfs/dbraw/zinc/17/58/56/1025175856.db2.gz WOIFXTYKMYPYHT-GOSISDBHSA-N -1 0 337.419 3.787 20 0 EHADRM O=C([N-]c1c(F)cc(F)cc1F)c1ncsc1Br ZINC000342393110 1025177311 /nfs/dbraw/zinc/17/73/11/1025177311.db2.gz YVIXNNOUEBYSPM-UHFFFAOYSA-N -1 0 337.120 3.575 20 0 EHADRM CCCCOc1ccc(CN=c2[n-]nc(CC(F)(F)F)s2)cc1 ZINC000475051973 1025201653 /nfs/dbraw/zinc/20/16/53/1025201653.db2.gz ICUVBFFSUGNUCP-UHFFFAOYSA-N -1 0 345.390 3.856 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1c[nH]nc1-c1ccccc1 ZINC000444046301 1025207252 /nfs/dbraw/zinc/20/72/52/1025207252.db2.gz CXFJYKDNEPBLIM-UHFFFAOYSA-N -1 0 345.449 3.599 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)N2CCC[C@@]2(C)C(=O)[O-])c1 ZINC000684747432 1025238496 /nfs/dbraw/zinc/23/84/96/1025238496.db2.gz SZJYZARAZLBNMX-SFHVURJKSA-N -1 0 334.416 3.583 20 0 EHADRM Cc1ccc(-c2c[nH]cc2C(=O)N2CCC[C@H](CCC(=O)[O-])C2)s1 ZINC000909477918 1025247334 /nfs/dbraw/zinc/24/73/34/1025247334.db2.gz KYLZRUKXRMYFRE-CYBMUJFWSA-N -1 0 346.452 3.769 20 0 EHADRM C[C@@H]1CCC[C@@H](C)N1C(=O)N1CCC[C@@H]1c1ccc(C(=O)[O-])s1 ZINC000548682949 1025340587 /nfs/dbraw/zinc/34/05/87/1025340587.db2.gz JZUDWXBKJRZUFR-JHJVBQTASA-N -1 0 336.457 3.966 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CCc2sccc2C1 ZINC000521365668 1025348075 /nfs/dbraw/zinc/34/80/75/1025348075.db2.gz CJMDPHRWHNWRMT-UHFFFAOYSA-N -1 0 327.327 3.671 20 0 EHADRM COC(=O)c1cc(Br)c([O-])cc1O[C@H]1CCCC[C@H]1F ZINC001227359244 1025366357 /nfs/dbraw/zinc/36/63/57/1025366357.db2.gz HDHDWQYEYLXXGK-PWSUYJOCSA-N -1 0 347.180 3.601 20 0 EHADRM Cc1cc(NC(=O)N=c2nc(-c3ccccc3)[n-]s2)c(C)cc1O ZINC000436121942 1025394301 /nfs/dbraw/zinc/39/43/01/1025394301.db2.gz YZOKJWNYVPVBFX-UHFFFAOYSA-N -1 0 340.408 3.593 20 0 EHADRM Cc1n[nH]cc1-c1n[n-]c(=NCc2cc(Cl)ccc2Cl)s1 ZINC000436147502 1025417885 /nfs/dbraw/zinc/41/78/85/1025417885.db2.gz DJVVOVNGGUZAOG-UHFFFAOYSA-N -1 0 340.239 3.577 20 0 EHADRM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000436178375 1025449614 /nfs/dbraw/zinc/44/96/14/1025449614.db2.gz MFFBYNJOVKNEIP-UHFFFAOYSA-N -1 0 340.326 3.694 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])C1(Oc2ccccc2F)CC1 ZINC000442759527 1025456930 /nfs/dbraw/zinc/45/69/30/1025456930.db2.gz RPDGMLFPALWTIB-UHFFFAOYSA-N -1 0 339.725 3.874 20 0 EHADRM C[C@](O)(CN=c1[n-]nc(-c2cc(Cl)cc(Cl)c2)s1)C1CC1 ZINC000444090085 1025457952 /nfs/dbraw/zinc/45/79/52/1025457952.db2.gz YTABYEHIEXVZAF-AWEZNQCLSA-N -1 0 344.267 3.507 20 0 EHADRM Cc1oc([N-]S(=O)(=O)c2c(C)ccc3cccnc32)nc1C1CC1 ZINC000451051482 1025472155 /nfs/dbraw/zinc/47/21/55/1025472155.db2.gz BPMMVKWDSZGDHI-UHFFFAOYSA-N -1 0 343.408 3.518 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2cnccc2C(F)(F)F)c1C ZINC000442838014 1025527361 /nfs/dbraw/zinc/52/73/61/1025527361.db2.gz OQUASPKLQYLIHI-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM CCSc1cccc(F)c1NC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000521625506 1025550114 /nfs/dbraw/zinc/55/01/14/1025550114.db2.gz MDFFOKOCLZSCRF-MNOVXSKESA-N -1 0 340.420 3.512 20 0 EHADRM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(CCC(C)C)cn2)cc1 ZINC000451104101 1025566968 /nfs/dbraw/zinc/56/69/68/1025566968.db2.gz JTZDCXRBYAOLIR-UHFFFAOYSA-N -1 0 346.452 3.674 20 0 EHADRM Cc1ccc(Cc2n[n-]c(=NC(=O)N[C@H]3CCC[C@@H](C)C3)s2)cc1 ZINC000521748082 1025634525 /nfs/dbraw/zinc/63/45/25/1025634525.db2.gz LASBWEBYRSCSAR-HIFRSBDPSA-N -1 0 344.484 3.559 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(NC[C@@H](C)C(F)(F)F)c12 ZINC000582243908 1025661609 /nfs/dbraw/zinc/66/16/09/1025661609.db2.gz COAAEPZDLVEJRF-RXMQYKEDSA-N -1 0 333.335 3.617 20 0 EHADRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N(C3CCC3)C3CCC3)n2)c1 ZINC000329236433 1025685991 /nfs/dbraw/zinc/68/59/91/1025685991.db2.gz OHJKZTKSXNGITP-UHFFFAOYSA-N -1 0 343.402 3.573 20 0 EHADRM CCOc1ccccc1[N-]S(=O)(=O)c1cnc2ccc(F)cc2c1 ZINC000436478046 1025755145 /nfs/dbraw/zinc/75/51/45/1025755145.db2.gz LEZGEJTXGKWHKG-UHFFFAOYSA-N -1 0 346.383 3.573 20 0 EHADRM CCc1ccccc1[N-]S(=O)(=O)c1cnc2ccc(F)cc2c1 ZINC000436479206 1025757410 /nfs/dbraw/zinc/75/74/10/1025757410.db2.gz PQOCBDBYECEKIG-UHFFFAOYSA-N -1 0 330.384 3.737 20 0 EHADRM Cc1ccc(C)c([N-]S(=O)(=O)c2cnc3ccc(F)cc3c2)c1 ZINC000436477913 1025772161 /nfs/dbraw/zinc/77/21/61/1025772161.db2.gz NIONMSGOBASIFI-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM COc1cc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc(C)n1 ZINC000436494915 1025776033 /nfs/dbraw/zinc/77/60/33/1025776033.db2.gz MQDBYYUBFZRZAE-UHFFFAOYSA-N -1 0 327.167 3.663 20 0 EHADRM C[C@H]1CCCC[C@H]1CC(=O)N=c1nc(Cc2ccccc2)[n-]s1 ZINC000521909050 1025778530 /nfs/dbraw/zinc/77/85/30/1025778530.db2.gz CQRGHCCNNAEUCO-ZFWWWQNUSA-N -1 0 329.469 3.706 20 0 EHADRM Cc1nc2c(cccc2-c2noc(-c3ccc(Cl)cc3[O-])n2)[nH]1 ZINC000436520635 1025821582 /nfs/dbraw/zinc/82/15/82/1025821582.db2.gz IBDJFWIXAHTFEK-UHFFFAOYSA-N -1 0 326.743 3.947 20 0 EHADRM Cc1ncc(CNC(=O)c2cc(Cl)c3ccccc3c2[O-])s1 ZINC000436550394 1025855697 /nfs/dbraw/zinc/85/56/97/1025855697.db2.gz YVTDMXUWDMPHTI-UHFFFAOYSA-N -1 0 332.812 3.894 20 0 EHADRM O=C(c1c([O-])cccc1F)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000436557804 1025862416 /nfs/dbraw/zinc/86/24/16/1025862416.db2.gz VQCLEAXPTDPXBN-BFYDXBDKSA-N -1 0 325.383 3.940 20 0 EHADRM O=C(NC[C@@H]1CCCOC1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436559020 1025883194 /nfs/dbraw/zinc/88/31/94/1025883194.db2.gz YDJHWVFQTFQGRF-ZDUSSCGKSA-N -1 0 345.826 3.869 20 0 EHADRM CC(C)[C@@H](CC(F)(F)F)NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436566172 1025897346 /nfs/dbraw/zinc/89/73/46/1025897346.db2.gz VSIKAJDYVWAVNV-SNVBAGLBSA-N -1 0 327.705 3.892 20 0 EHADRM CN(Cc1cc(Cl)cn1C)C(=O)c1c([O-])cc(Cl)cc1Cl ZINC000436580636 1025922129 /nfs/dbraw/zinc/92/21/29/1025922129.db2.gz CHZUAMZKQKWCAJ-UHFFFAOYSA-N -1 0 347.629 3.963 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2cn(C)nc2C(F)(F)F)c(O)c1 ZINC000436603705 1025935951 /nfs/dbraw/zinc/93/59/51/1025935951.db2.gz MTEYOQBERQPPPE-UHFFFAOYSA-N -1 0 327.306 3.520 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C2(Oc3ccccc3F)CC2)c1 ZINC000436652259 1025981882 /nfs/dbraw/zinc/98/18/82/1025981882.db2.gz LJALRLWTVYMOCB-UHFFFAOYSA-N -1 0 343.354 3.674 20 0 EHADRM Cc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1cccc(Cl)c1[O-] ZINC000436641712 1025988525 /nfs/dbraw/zinc/98/85/25/1025988525.db2.gz WZWGCIQUHUSEJC-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(-c3ccc(C)o3)[nH]n2)c1 ZINC000436647749 1025996401 /nfs/dbraw/zinc/99/64/01/1025996401.db2.gz KRSLNAQADMHVRH-UHFFFAOYSA-N -1 0 339.351 3.529 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H]2CCCc3c(O)cccc32)c1 ZINC000436648274 1025998600 /nfs/dbraw/zinc/99/86/00/1025998600.db2.gz SRFMTYXLBOXOHE-HNNXBMFYSA-N -1 0 339.391 3.749 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CCc2cccc(N(C)C)c2)c1 ZINC000436648133 1026000188 /nfs/dbraw/zinc/00/01/88/1026000188.db2.gz LLCWIOIONAAZKN-UHFFFAOYSA-N -1 0 340.423 3.622 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)COC/C=C\c2ccccc2)c1 ZINC000436648838 1026000783 /nfs/dbraw/zinc/00/07/83/1026000783.db2.gz VBZIEEHVQUCABS-TWGQIWQCSA-N -1 0 339.391 3.653 20 0 EHADRM O=C([O-])C/C(=C/c1ccc(O)c(CO)c1)c1nc2ccccc2s1 ZINC000436662181 1026002966 /nfs/dbraw/zinc/00/29/66/1026002966.db2.gz FSLFTNRKHOLOMG-GHXNOFRVSA-N -1 0 341.388 3.510 20 0 EHADRM O=C(Nc1csc(-c2ccncc2)n1)c1cc(F)cc(Cl)c1[O-] ZINC000436672030 1026012797 /nfs/dbraw/zinc/01/27/97/1026012797.db2.gz LEUDLZZFKGPBFB-UHFFFAOYSA-N -1 0 349.774 3.956 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2csc(-c3ccoc3)n2)c1 ZINC000436661603 1026023358 /nfs/dbraw/zinc/02/33/58/1026023358.db2.gz ZAIPXGAJMKDPCD-UHFFFAOYSA-N -1 0 342.376 3.954 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CCc2ccnc3ccccc23)c1 ZINC000436679023 1026027295 /nfs/dbraw/zinc/02/72/95/1026027295.db2.gz IXDGJUKFXPJSPF-UHFFFAOYSA-N -1 0 334.375 3.714 20 0 EHADRM O=C(N=c1ncn(C2CCCCC2)[n-]1)c1ccc2sccc2c1 ZINC000329586401 1026035652 /nfs/dbraw/zinc/03/56/52/1026035652.db2.gz WTIQABPBQIYROF-UHFFFAOYSA-N -1 0 326.425 3.672 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000158486008 1026039404 /nfs/dbraw/zinc/03/94/04/1026039404.db2.gz LULFJKFKIRHCST-AWEZNQCLSA-N -1 0 336.844 3.903 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)c(C)c1 ZINC000103059510 1026045660 /nfs/dbraw/zinc/04/56/60/1026045660.db2.gz ZCXUKSJSAZKTJL-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1[O-])c1ccncc1F ZINC000436692987 1026049630 /nfs/dbraw/zinc/04/96/30/1026049630.db2.gz ZNJZXIPYKNVNIS-ZETCQYMHSA-N -1 0 329.158 3.724 20 0 EHADRM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000665328066 1026053128 /nfs/dbraw/zinc/05/31/28/1026053128.db2.gz CKGPHHHEHQGKTE-XHDPSFHLSA-N -1 0 338.835 3.543 20 0 EHADRM Cc1cccc(C)c1[N-]S(=O)(=O)c1sccc1Br ZINC000042350506 1026082437 /nfs/dbraw/zinc/08/24/37/1026082437.db2.gz DCACYIDAGGAGFM-UHFFFAOYSA-N -1 0 346.271 3.928 20 0 EHADRM COc1ccc(NC(=O)c2cc(F)c(F)c([O-])c2F)cc1SC ZINC001141984468 1026116974 /nfs/dbraw/zinc/11/69/74/1026116974.db2.gz NUJLXRDUDVMYFM-UHFFFAOYSA-N -1 0 343.326 3.792 20 0 EHADRM O=C(c1ccc(O)cc1F)N1C[C@H]2CCCCN2c2ccccc21 ZINC000436729309 1026119907 /nfs/dbraw/zinc/11/99/07/1026119907.db2.gz AIMPYCVQKCOPOT-CYBMUJFWSA-N -1 0 326.371 3.551 20 0 EHADRM Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1ccccc1O ZINC000436730568 1026120463 /nfs/dbraw/zinc/12/04/63/1026120463.db2.gz XHZRZNGBYBURNR-UHFFFAOYSA-N -1 0 333.800 3.760 20 0 EHADRM CSc1cc(CNC(=O)c2c([O-])cc(Cl)cc2Cl)ccn1 ZINC000436762011 1026133308 /nfs/dbraw/zinc/13/33/08/1026133308.db2.gz AXKGRUNPWHVING-UHFFFAOYSA-N -1 0 343.235 3.746 20 0 EHADRM Brc1ccccc1-c1ccc(CN=c2[n-]nco2)cc1 ZINC000508472203 1026215067 /nfs/dbraw/zinc/21/50/67/1026215067.db2.gz GOAZWIPOUSDXMA-UHFFFAOYSA-N -1 0 330.185 3.533 20 0 EHADRM CC[C@@H](C)[C@H](C(=O)N=c1ccc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000543848858 1026281560 /nfs/dbraw/zinc/28/15/60/1026281560.db2.gz XCCAQJGHTXQPEC-ABAIWWIYSA-N -1 0 337.345 3.686 20 0 EHADRM CCO[C@H](CNC(=O)c1cc(F)c([O-])c(Cl)c1)c1ccccc1 ZINC000192768889 1026340561 /nfs/dbraw/zinc/34/05/61/1026340561.db2.gz LULQYNNDSZOJML-OAHLLOKOSA-N -1 0 337.778 3.692 20 0 EHADRM CC(C)SCC(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000530895540 1026383035 /nfs/dbraw/zinc/38/30/35/1026383035.db2.gz IDAMWDPLWMXAQF-UHFFFAOYSA-N -1 0 338.654 3.888 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C)Oc2cccc(F)c2)cc(C(=O)[O-])c1C ZINC000324885280 1026423497 /nfs/dbraw/zinc/42/34/97/1026423497.db2.gz LHLFCSRAOGLRMU-GFCCVEGCSA-N -1 0 331.343 3.547 20 0 EHADRM O=S(=O)(Cc1ccccc1F)[N-]c1nc(-c2ccccc2)cs1 ZINC000158401841 1026424350 /nfs/dbraw/zinc/42/43/50/1026424350.db2.gz CFVNSSHPPINYKR-UHFFFAOYSA-N -1 0 348.424 3.891 20 0 EHADRM O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)c1c([O-])cc(F)cc1F ZINC000127761432 1026429225 /nfs/dbraw/zinc/42/92/25/1026429225.db2.gz KWTRKSOJUPLAQF-FZKQIMNGSA-N -1 0 347.361 3.568 20 0 EHADRM CC[C@@](C)(NC(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12)C(=O)[O-] ZINC000431433443 1026463150 /nfs/dbraw/zinc/46/31/50/1026463150.db2.gz MJOWNWXNVSCHDM-HXUWFJFHSA-N -1 0 340.423 3.712 20 0 EHADRM CCc1ccc(O)c(C(=O)N2CC=C(c3cccc(OC)c3)CC2)c1 ZINC000530991571 1026468137 /nfs/dbraw/zinc/46/81/37/1026468137.db2.gz FIEORNXXTBPMRP-UHFFFAOYSA-N -1 0 337.419 3.893 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1ccc(OC2CCC2)cc1Cl)C(=O)[O-] ZINC000431436142 1026491906 /nfs/dbraw/zinc/49/19/06/1026491906.db2.gz TUGMBDGORNFMEE-OAHLLOKOSA-N -1 0 339.819 3.500 20 0 EHADRM CCOc1ccc([C@H](C)N=c2nc(CC(C)C)[n-]s2)cc1OC ZINC000475356308 1026509826 /nfs/dbraw/zinc/50/98/26/1026509826.db2.gz ZXTOCBBPFIEHAH-LBPRGKRZSA-N -1 0 335.473 3.739 20 0 EHADRM Cc1oc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1C(=O)[O-] ZINC000325004857 1026519078 /nfs/dbraw/zinc/51/90/78/1026519078.db2.gz ANOXXCDCISBTIC-UHFFFAOYSA-N -1 0 331.412 3.509 20 0 EHADRM O=C(c1cc(Br)c(F)cc1[O-])N1CC[C@@H](CC2CC2)C1 ZINC000452165460 1026534519 /nfs/dbraw/zinc/53/45/19/1026534519.db2.gz QUVWCQADJPBLKR-JTQLQIEISA-N -1 0 342.208 3.556 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)c2ccccc2OC(F)F)cc1 ZINC000325120084 1026563365 /nfs/dbraw/zinc/56/33/65/1026563365.db2.gz TZIVQJFMWWNTBD-YFHOEESVSA-N -1 0 333.290 3.638 20 0 EHADRM C[C@@H](c1cccs1)N(C)C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000531103160 1026571784 /nfs/dbraw/zinc/57/17/84/1026571784.db2.gz VRJSJQXAUAYTKO-NSHDSACASA-N -1 0 344.465 3.913 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)[C@H]1CCC[C@H]1C(=O)[O-] ZINC000634824674 1026572730 /nfs/dbraw/zinc/57/27/30/1026572730.db2.gz ZSYIQTDPJUJYJZ-LSDHHAIUSA-N -1 0 333.428 3.750 20 0 EHADRM CC[C@@H](C(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-])c1ccccc1 ZINC000192888089 1026588193 /nfs/dbraw/zinc/58/81/93/1026588193.db2.gz GVMAJSGLCVMDIN-VQIMIIECSA-N -1 0 339.435 3.930 20 0 EHADRM CC1(C)CCC(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])CC1 ZINC000431449224 1026588837 /nfs/dbraw/zinc/58/88/37/1026588837.db2.gz ZTIVRRKZUQUPJG-KRWDZBQOSA-N -1 0 329.440 3.631 20 0 EHADRM O=S(=O)(Cc1ccccc1)[N-]c1nc2c(s1)CCCCCC2 ZINC000536503364 1026804189 /nfs/dbraw/zinc/80/41/89/1026804189.db2.gz VROPZFWAOBWJMA-UHFFFAOYSA-N -1 0 336.482 3.744 20 0 EHADRM Cc1cncc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000531430324 1026902163 /nfs/dbraw/zinc/90/21/63/1026902163.db2.gz UFLRQEXTQAZWCO-UHFFFAOYSA-N -1 0 336.416 3.762 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2cccc(Cl)c2F)cc1C ZINC000342783198 1027027937 /nfs/dbraw/zinc/02/79/37/1027027937.db2.gz QZXGBQZJGXQPTA-VIFPVBQESA-N -1 0 345.827 3.756 20 0 EHADRM Cc1cc(=NC(=O)N([C@@H](C)c2ccccc2Cl)C2CC2)[n-]nc1C ZINC000531560173 1027046428 /nfs/dbraw/zinc/04/64/28/1027046428.db2.gz IFTPHJFUBGKPCK-ZDUSSCGKSA-N -1 0 344.846 3.926 20 0 EHADRM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1ccc(C)c(F)c1 ZINC000614739237 1027326124 /nfs/dbraw/zinc/32/61/24/1027326124.db2.gz JYUAGYQMZQADQF-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM Cc1oc(CN(C)C(=O)CSc2cc(C)ccc2C)cc1C(=O)[O-] ZINC000262516555 1027484095 /nfs/dbraw/zinc/48/40/95/1027484095.db2.gz PVMVBAJKZTVDIN-UHFFFAOYSA-N -1 0 347.436 3.654 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2nc3c(cccc3C)s2)c(C)c1 ZINC000614751610 1027506835 /nfs/dbraw/zinc/50/68/35/1027506835.db2.gz YMVFKJMTKCSZPT-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000392884784 1027577059 /nfs/dbraw/zinc/57/70/59/1027577059.db2.gz KQVOEFUYQPOBOK-HIFRSBDPSA-N -1 0 340.379 3.854 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc3cccnc32)cc1Cl ZINC000614770808 1027627296 /nfs/dbraw/zinc/62/72/96/1027627296.db2.gz XQALLWOFMBUZED-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM CC(C)S(=O)(=O)[N-]C(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000051901398 1027668308 /nfs/dbraw/zinc/66/83/08/1027668308.db2.gz YZZQIFUMIWBABZ-UHFFFAOYSA-N -1 0 344.845 3.506 20 0 EHADRM Cc1cc(CNC(=O)CC(C)(C)C(=O)[O-])ccc1-c1ccccc1 ZINC000487501346 1027695136 /nfs/dbraw/zinc/69/51/36/1027695136.db2.gz KLGJINHRONHJHA-UHFFFAOYSA-N -1 0 325.408 3.779 20 0 EHADRM COCCOCc1cccc(-c2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC000582797152 1027747388 /nfs/dbraw/zinc/74/73/88/1027747388.db2.gz OADXNOKZPUYUGD-OAHLLOKOSA-N -1 0 328.408 3.780 20 0 EHADRM Cc1nc([C@H](C)NC(=O)CC/C=C/c2ccccc2)sc1C(=O)[O-] ZINC000237572532 1027754232 /nfs/dbraw/zinc/75/42/32/1027754232.db2.gz ADNGNJPJPKQCAV-PPOCWRSBSA-N -1 0 344.436 3.821 20 0 EHADRM C[C@@]1(CCc2ccccc2)CCN(C(=O)CC2(C(=O)[O-])CCC2)C1 ZINC000262554713 1027986339 /nfs/dbraw/zinc/98/63/39/1027986339.db2.gz UQISACQTKXRHGL-LJQANCHMSA-N -1 0 329.440 3.503 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000502264824 1028015863 /nfs/dbraw/zinc/01/58/63/1028015863.db2.gz DMUPZSFZCBJBPQ-UHFFFAOYSA-N -1 0 344.396 3.651 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cc(C)ccc2Cl)nn1C(C)C ZINC000421180523 1028057268 /nfs/dbraw/zinc/05/72/68/1028057268.db2.gz GFMAFTNKUUWOKB-UHFFFAOYSA-N -1 0 327.837 3.535 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1cc(C(C)(C)C)ccc1O ZINC000120589367 1028075309 /nfs/dbraw/zinc/07/53/09/1028075309.db2.gz WNXIRJAWULWVLF-UHFFFAOYSA-N -1 0 341.454 3.561 20 0 EHADRM COc1ccc(/C=C(/CC(=O)[O-])c2nc3ccccc3o2)cc1O ZINC000214383147 1028093042 /nfs/dbraw/zinc/09/30/42/1028093042.db2.gz QMMZRLFLFVLABR-WQLSENKSSA-N -1 0 325.320 3.557 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2ncc(Br)cc2O)c1 ZINC001211958411 1028168498 /nfs/dbraw/zinc/16/84/98/1028168498.db2.gz PLAOJZVVUIGMHT-UHFFFAOYSA-N -1 0 343.564 3.645 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cccnc2Oc2ccccc2)c1 ZINC000614843468 1028169641 /nfs/dbraw/zinc/16/96/41/1028169641.db2.gz VOGFYUOFVBTNJA-UHFFFAOYSA-N -1 0 340.404 3.983 20 0 EHADRM COc1ccc2oc(C(=O)NCCCCCCC(=O)[O-])c(C)c2c1 ZINC000237340027 1028170399 /nfs/dbraw/zinc/17/03/99/1028170399.db2.gz VMGHVJBDJVBRKD-UHFFFAOYSA-N -1 0 333.384 3.515 20 0 EHADRM CCc1c(C)sc(Nc2cc(Cl)cc(C(=O)[O-])c2)c1C(N)=O ZINC001211958607 1028173156 /nfs/dbraw/zinc/17/31/56/1028173156.db2.gz ZQMOFLKKYYXDGI-UHFFFAOYSA-N -1 0 338.816 3.813 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2noc(C(C)(C)C)n2)s1 ZINC000502406672 1028179266 /nfs/dbraw/zinc/17/92/66/1028179266.db2.gz SCQLDKZFAXXWJJ-UHFFFAOYSA-N -1 0 343.474 3.527 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@@H](C)c2ccccc2C(F)(F)F)s[n-]1 ZINC000509544185 1028204610 /nfs/dbraw/zinc/20/46/10/1028204610.db2.gz QAAPFUDVFNBZHP-IUCAKERBSA-N -1 0 331.363 3.859 20 0 EHADRM CC(=O)N1CCc2cc(Nc3cc(Cl)cc(C(=O)[O-])c3)ccc21 ZINC001211965100 1028272216 /nfs/dbraw/zinc/27/22/16/1028272216.db2.gz OEVWZBBKERRHNH-UHFFFAOYSA-N -1 0 330.771 3.691 20 0 EHADRM C[C@H]1CC[C@H](NC(=O)N=c2[n-]nc(SCc3ccccc3)s2)C1 ZINC000444798832 1028290771 /nfs/dbraw/zinc/29/07/71/1028290771.db2.gz GGIQKIVTFZBNFP-AAEUAGOBSA-N -1 0 348.497 3.562 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)[C@H]2CC23CCCCC3)s[n-]1 ZINC000472272118 1028307090 /nfs/dbraw/zinc/30/70/90/1028307090.db2.gz CXZBBOBETYJPPO-LLVKDONJSA-N -1 0 333.482 3.906 20 0 EHADRM COc1cc(OC)c(Nc2cc(Cl)cc(C(=O)[O-])c2)c(OC)c1 ZINC001211966672 1028311588 /nfs/dbraw/zinc/31/15/88/1028311588.db2.gz KZUMTQHGWDUHAU-UHFFFAOYSA-N -1 0 337.759 3.808 20 0 EHADRM CCOc1cccc([N-]S(=O)(=O)c2cc(C)cc3cccnc32)c1 ZINC000614863566 1028360090 /nfs/dbraw/zinc/36/00/90/1028360090.db2.gz CFDGZFPCNJFZDV-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM c1ccc(-c2nc(=N[C@@H](c3ccccc3)[C@@H]3CCCO3)s[n-]2)cc1 ZINC000504060638 1028374110 /nfs/dbraw/zinc/37/41/10/1028374110.db2.gz SFKCBSPAPAGWQD-IRXDYDNUSA-N -1 0 337.448 3.959 20 0 EHADRM O=c1nc(CSc2ccnc3ccccc32)[n-]c2ccsc21 ZINC000068054541 1028386043 /nfs/dbraw/zinc/38/60/43/1028386043.db2.gz VIDFYOMUYYQPMS-UHFFFAOYSA-N -1 0 325.418 3.825 20 0 EHADRM CC1(C)NC(=O)Cc2cc(Nc3cc(Cl)cc(C(=O)[O-])c3)ccc21 ZINC001211969604 1028439555 /nfs/dbraw/zinc/43/95/55/1028439555.db2.gz RSLMNBHZPQGWOC-UHFFFAOYSA-N -1 0 344.798 3.689 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCC(c2ccccc2)CC1 ZINC000193923089 1028479313 /nfs/dbraw/zinc/47/93/13/1028479313.db2.gz PETPMQIKCJPTMK-UHFFFAOYSA-N -1 0 335.325 3.829 20 0 EHADRM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(C)c(Cl)c1 ZINC000523729652 1028571927 /nfs/dbraw/zinc/57/19/27/1028571927.db2.gz GCYMNSCRMDTCQT-UHFFFAOYSA-N -1 0 341.864 3.843 20 0 EHADRM CCCCCN(Cc1ccc(F)cc1)C(=O)c1ccc(C(=O)[O-])nc1 ZINC000236742686 1028578393 /nfs/dbraw/zinc/57/83/93/1028578393.db2.gz QPHPGMUPVRODLB-UHFFFAOYSA-N -1 0 344.386 3.752 20 0 EHADRM CCC[C@]1(C)CCCN(C(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)C1 ZINC000236856994 1028592754 /nfs/dbraw/zinc/59/27/54/1028592754.db2.gz CQFSLIMMLZHNAW-HXUWFJFHSA-N -1 0 347.455 3.809 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N2C[C@@H](c3ccccc3)C[C@@H]2C)s1 ZINC000523786621 1028621375 /nfs/dbraw/zinc/62/13/75/1028621375.db2.gz CUWNHNYSTKXWJP-ZFWWWQNUSA-N -1 0 344.484 3.568 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)Nc1ccc(F)c(F)c1)C(=O)[O-] ZINC000237383991 1028649627 /nfs/dbraw/zinc/64/96/27/1028649627.db2.gz QDOYIASRHYWHNV-SECBINFHSA-N -1 0 337.347 3.782 20 0 EHADRM Cc1ccc2nc(C)c(C(=O)N[C@@H](CC(=O)[O-])c3ccccc3)cc2c1 ZINC000237900257 1028671512 /nfs/dbraw/zinc/67/15/12/1028671512.db2.gz XQPJKBQIAMFGAG-IBGZPJMESA-N -1 0 348.402 3.797 20 0 EHADRM Cc1ccc(SCCC(=O)N=c2ccc(C3CC3)n[n-]2)cc1C ZINC000523844850 1028672334 /nfs/dbraw/zinc/67/23/34/1028672334.db2.gz XHZXIYOYFDEJIK-UHFFFAOYSA-N -1 0 327.453 3.514 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)o1 ZINC000238017894 1028673317 /nfs/dbraw/zinc/67/33/17/1028673317.db2.gz DHUOTCRIEKKWES-QGZVFWFLSA-N -1 0 347.370 3.766 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)n1 ZINC000504542480 1028724928 /nfs/dbraw/zinc/72/49/28/1028724928.db2.gz QTSQMNCITCTFAY-UHFFFAOYSA-N -1 0 330.862 3.858 20 0 EHADRM CCC(CC)(CC(=O)Nc1ccc2c(c1)C(=O)CCCC2)C(=O)[O-] ZINC000421811358 1028829468 /nfs/dbraw/zinc/82/94/68/1028829468.db2.gz ZGHSRZQPVCEDNA-UHFFFAOYSA-N -1 0 331.412 3.815 20 0 EHADRM COc1ccc(OCCCc2nc(-c3ccc(O)cc3F)no2)cc1 ZINC000445462812 1028830697 /nfs/dbraw/zinc/83/06/97/1028830697.db2.gz MWSNLXSNYWFGLD-UHFFFAOYSA-N -1 0 344.342 3.602 20 0 EHADRM Cc1ccc(N=c2[n-]nc(SC[C@H]3C[C@@H](O)C3)s2)cc1Cl ZINC000421845952 1028867797 /nfs/dbraw/zinc/86/77/97/1028867797.db2.gz RJIZDZUKTLISDE-JGZJWPJOSA-N -1 0 341.889 3.528 20 0 EHADRM Cc1ccc(C[C@H](C)N(C)C(=O)N=c2[n-]nc(C(C)(C)C)s2)cc1 ZINC000524130821 1028912048 /nfs/dbraw/zinc/91/20/48/1028912048.db2.gz ZOGSVDWEZQFYEA-ZDUSSCGKSA-N -1 0 346.500 3.661 20 0 EHADRM CCCN=c1[n-]nc(SCc2nc(C(C)(C)C)cs2)s1 ZINC000445583476 1028946121 /nfs/dbraw/zinc/94/61/21/1028946121.db2.gz JFTPJYDMFUVIOW-UHFFFAOYSA-N -1 0 328.532 3.828 20 0 EHADRM CCC(=O)CSc1n[n-]c(=Nc2c(CC)cccc2CC)s1 ZINC000524280243 1029048922 /nfs/dbraw/zinc/04/89/22/1029048922.db2.gz QYDMEOMQQNHHJI-UHFFFAOYSA-N -1 0 335.498 3.900 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(CC)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424405589 1029052601 /nfs/dbraw/zinc/05/26/01/1029052601.db2.gz OUEUVLLNAOQMQQ-INIZCTEOSA-N -1 0 334.460 3.540 20 0 EHADRM CC[C@H](CN(CC)C(=O)NCCC(C)(C)C(=O)[O-])c1ccccc1 ZINC000424408122 1029053060 /nfs/dbraw/zinc/05/30/60/1029053060.db2.gz UYIJLAHPLJQSNQ-OAHLLOKOSA-N -1 0 334.460 3.713 20 0 EHADRM CCCCOc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000614888602 1029053423 /nfs/dbraw/zinc/05/34/23/1029053423.db2.gz HYIHYLLZRVDTCR-UHFFFAOYSA-N -1 0 341.379 3.945 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)C1(Cc2ccc(F)cc2)CC1 ZINC000445703083 1029065442 /nfs/dbraw/zinc/06/54/42/1029065442.db2.gz VGCGOFDUMBKKPJ-UHFFFAOYSA-N -1 0 347.393 3.666 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccco2)s1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000503122006 1029065816 /nfs/dbraw/zinc/06/58/16/1029065816.db2.gz YQKFHTORBZXHMH-YNEHKIRRSA-N -1 0 346.456 3.700 20 0 EHADRM C/C=C\c1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cc1 ZINC000583166357 1029082130 /nfs/dbraw/zinc/08/21/30/1029082130.db2.gz NWMIEDSGZWWUDO-PLNGDYQASA-N -1 0 345.420 3.836 20 0 EHADRM C[C@@](CC(=O)NC[C@@H]1C[C@H]1C1CCC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000424528984 1029110286 /nfs/dbraw/zinc/11/02/86/1029110286.db2.gz FSZNSJAHSJEWCW-AXHNFQJDSA-N -1 0 349.858 3.625 20 0 EHADRM C[C@H](c1cccs1)N(C)C(=O)[C@](C)(CC(=O)[O-])c1ccsc1 ZINC000634863351 1029114783 /nfs/dbraw/zinc/11/47/83/1029114783.db2.gz DJBDUNPVKSSWIH-BDJLRTHQSA-N -1 0 337.466 3.762 20 0 EHADRM CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@H]3CCC[C@H](F)C3)c2)n1 ZINC000424607134 1029168061 /nfs/dbraw/zinc/16/80/61/1029168061.db2.gz QTOJPFDUNPHCEW-KBPBESRZSA-N -1 0 343.402 3.878 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)cc2)co1 ZINC000029954513 1029199637 /nfs/dbraw/zinc/19/96/37/1029199637.db2.gz HMFSNTRZNIKHMM-UHFFFAOYSA-N -1 0 339.307 3.516 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)NCCCCCCCC(=O)[O-] ZINC000271990663 1029263299 /nfs/dbraw/zinc/26/32/99/1029263299.db2.gz ZVKSIICWOUGNSW-MRXNPFEDSA-N -1 0 349.471 3.805 20 0 EHADRM O=C([O-])Cc1cc(-c2ccccc2OC[C@H]2CCOC2)ccc1F ZINC000583214886 1029283866 /nfs/dbraw/zinc/28/38/66/1029283866.db2.gz JSXPJQTWXJOSHR-ZDUSSCGKSA-N -1 0 330.355 3.535 20 0 EHADRM O=C(c1cc(Br)cc(Cl)c1[O-])N1CCC=C(F)C1 ZINC000272085551 1029305727 /nfs/dbraw/zinc/30/57/27/1029305727.db2.gz KDEZDZSCUHEKHS-UHFFFAOYSA-N -1 0 334.572 3.507 20 0 EHADRM O=C([O-])[C@@H](CC(=O)N1CCCCC[C@@H]1c1ccco1)c1ccccc1 ZINC000634885446 1029365331 /nfs/dbraw/zinc/36/53/31/1029365331.db2.gz IPFQOXLDEFPBNP-DLBZAZTESA-N -1 0 341.407 3.982 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000533196657 1029439648 /nfs/dbraw/zinc/43/96/48/1029439648.db2.gz CZSBKFJOQGCTLY-LLVKDONJSA-N -1 0 341.860 3.779 20 0 EHADRM CC[C@@H]1CO[C@@H](C)CN1Cc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000320951919 1029452606 /nfs/dbraw/zinc/45/26/06/1029452606.db2.gz XYCACWSTNKFABZ-WDEREUQCSA-N -1 0 337.416 3.738 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2c(C)[nH]nc2C(F)F)cc1 ZINC000272443129 1029462694 /nfs/dbraw/zinc/46/26/94/1029462694.db2.gz UGCNMWDGSVPLGM-SECBINFHSA-N -1 0 343.399 3.970 20 0 EHADRM Cc1n[n-]c(=NC(=O)N(Cc2ccccc2F)C2CCCCC2)s1 ZINC000533252500 1029529442 /nfs/dbraw/zinc/52/94/42/1029529442.db2.gz VKNABRQHHPJYSB-UHFFFAOYSA-N -1 0 348.447 3.774 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCCC[C@@H]2C(C)C)n1 ZINC000434277671 1029549100 /nfs/dbraw/zinc/54/91/00/1029549100.db2.gz ZSYPGJVJNWXLND-OAHLLOKOSA-N -1 0 345.418 3.676 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)N[C@@H](C)c1ccccc1 ZINC000583300830 1029596553 /nfs/dbraw/zinc/59/65/53/1029596553.db2.gz VXWMCBVZVCNEKA-MAUKXSAKSA-N -1 0 340.423 3.995 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccccc2OCC2CC2)CCCCC1 ZINC000524888680 1029597265 /nfs/dbraw/zinc/59/72/65/1029597265.db2.gz YPXLTTHVBJJLEM-UHFFFAOYSA-N -1 0 331.412 3.839 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000262709055 1029626002 /nfs/dbraw/zinc/62/60/02/1029626002.db2.gz CCOCNQYPPCTHFR-ACJLOTCBSA-N -1 0 333.359 3.644 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)cc1 ZINC000262821216 1029640251 /nfs/dbraw/zinc/64/02/51/1029640251.db2.gz AVIIRUPILGCVLY-JQAFLVLXSA-N -1 0 345.345 3.895 20 0 EHADRM Cc1ccnc(Oc2ccc(NC(=O)c3cc(F)ccc3O)cc2)n1 ZINC000150908739 1029650352 /nfs/dbraw/zinc/65/03/52/1029650352.db2.gz YZXCUKXOKJWTMJ-UHFFFAOYSA-N -1 0 339.326 3.674 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)C2CCC(c3ccccc3)CC2)C1 ZINC000262994881 1029653718 /nfs/dbraw/zinc/65/37/18/1029653718.db2.gz OKPQYCOBXOAVDP-WIXQSORDSA-N -1 0 343.467 3.920 20 0 EHADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)Nc1cccc(C3CCC3)c1)C2 ZINC000262988354 1029653800 /nfs/dbraw/zinc/65/38/00/1029653800.db2.gz DAWJCWKUCLBXQX-HNAYVOBHSA-N -1 0 328.412 3.673 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(C(=O)[C@H]2CCC[C@H](F)C2)CC1 ZINC000263030422 1029657732 /nfs/dbraw/zinc/65/77/32/1029657732.db2.gz GYNJNGAHBZKNIJ-IRXDYDNUSA-N -1 0 347.430 3.694 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(C(=O)[C@@H]2CCC[C@H](F)C2)CC1 ZINC000263030424 1029657859 /nfs/dbraw/zinc/65/78/59/1029657859.db2.gz GYNJNGAHBZKNIJ-SJORKVTESA-N -1 0 347.430 3.694 20 0 EHADRM Cc1c2cccc(Cl)c2oc1C(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000263046965 1029661156 /nfs/dbraw/zinc/66/11/56/1029661156.db2.gz RUJDISGTBBAFFX-SUHUHFCYSA-N -1 0 347.798 3.720 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cc(-c2ccccc2)ns1 ZINC000263104978 1029667231 /nfs/dbraw/zinc/66/72/31/1029667231.db2.gz JDQBRZYLQIGTJV-CQSZACIVSA-N -1 0 344.436 3.670 20 0 EHADRM CC(C)Sc1ccc(C(=O)N2CC[C@](C(=O)[O-])(C(C)C)C2)cc1 ZINC000263150305 1029669682 /nfs/dbraw/zinc/66/96/82/1029669682.db2.gz ZBGWVPXERNEUSD-GOSISDBHSA-N -1 0 335.469 3.760 20 0 EHADRM O=C([O-])c1csc(-c2cccc(CNC(=O)CC3CCCC3)c2)n1 ZINC000263156943 1029669828 /nfs/dbraw/zinc/66/98/28/1029669828.db2.gz JMBBOESPBADKSQ-UHFFFAOYSA-N -1 0 344.436 3.705 20 0 EHADRM Cc1ccc(O[C@H](C)C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)cc1 ZINC000263168213 1029670465 /nfs/dbraw/zinc/67/04/65/1029670465.db2.gz FQEOVIWSMPTIHX-ZIAGYGMSSA-N -1 0 327.380 3.589 20 0 EHADRM Cc1cc2c(cc1C)[C@H](C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1)CO2 ZINC000263207992 1029674359 /nfs/dbraw/zinc/67/43/59/1029674359.db2.gz KZXPLRVOEMAWKQ-CXAGYDPISA-N -1 0 339.391 3.606 20 0 EHADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cc(-c2ccccc2)ccc1Cl ZINC000263212341 1029674794 /nfs/dbraw/zinc/67/47/94/1029674794.db2.gz PBOHLBSIBPRTGT-WFASDCNBSA-N -1 0 343.810 3.942 20 0 EHADRM CCC(CC)n1ncc(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c1C ZINC000263337863 1029688987 /nfs/dbraw/zinc/68/89/87/1029688987.db2.gz REMDKPDPABSPFE-LBPRGKRZSA-N -1 0 343.427 3.993 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)c1 ZINC000263330673 1029689193 /nfs/dbraw/zinc/68/91/93/1029689193.db2.gz PUNVYSYNHSCWGG-HNHYXYPQSA-N -1 0 345.345 3.895 20 0 EHADRM C[C@@H](NC(=O)C1(Cc2cccc(Cl)c2)CCCC1)[C@H](C)C(=O)[O-] ZINC000263410282 1029694768 /nfs/dbraw/zinc/69/47/68/1029694768.db2.gz GVCMDJKAKZBLHK-QWHCGFSZSA-N -1 0 337.847 3.668 20 0 EHADRM CC(C)Sc1ccc(Cl)cc1NC(=O)N(C)CCC(=O)[O-] ZINC000263456840 1029700688 /nfs/dbraw/zinc/70/06/88/1029700688.db2.gz CHCGZSAIOKSKLN-UHFFFAOYSA-N -1 0 330.837 3.779 20 0 EHADRM C[C@H]1CCN(C(=O)NCc2ccc(C(=O)[O-])cc2)[C@@H](c2ccco2)C1 ZINC000263485039 1029703546 /nfs/dbraw/zinc/70/35/46/1029703546.db2.gz PDXJOLDZOWHRHI-XJKSGUPXSA-N -1 0 342.395 3.661 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c1 ZINC000263484529 1029703748 /nfs/dbraw/zinc/70/37/48/1029703748.db2.gz MBBVXNXEYQLZBI-CKFHNAJUSA-N -1 0 346.427 3.583 20 0 EHADRM COc1ccccc1-c1cccc(NC(=O)N(C)C[C@H](C)C(=O)[O-])c1 ZINC000263515241 1029707113 /nfs/dbraw/zinc/70/71/13/1029707113.db2.gz ZMPHYCJUIHIPEO-ZDUSSCGKSA-N -1 0 342.395 3.547 20 0 EHADRM CCCC[C@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000263514026 1029708014 /nfs/dbraw/zinc/70/80/14/1029708014.db2.gz DDVLCYCYMNEPQY-IINYFYTJSA-N -1 0 329.799 3.937 20 0 EHADRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC000446632946 1029729570 /nfs/dbraw/zinc/72/95/70/1029729570.db2.gz DUTWQMBCGUQHNW-UHFFFAOYSA-N -1 0 341.429 3.665 20 0 EHADRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1ccc(C)s1 ZINC000446648841 1029746517 /nfs/dbraw/zinc/74/65/17/1029746517.db2.gz QJKIUBFSWUBNEG-UHFFFAOYSA-N -1 0 329.468 3.588 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccnn2CCC(C)C)cc1Cl ZINC000583420693 1029802475 /nfs/dbraw/zinc/80/24/75/1029802475.db2.gz ZJQRDNYCLKGZMJ-UHFFFAOYSA-N -1 0 341.864 3.692 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)nnc1C ZINC000446809358 1029805974 /nfs/dbraw/zinc/80/59/74/1029805974.db2.gz QPFCBIIGFQOMPI-UHFFFAOYSA-N -1 0 339.420 3.561 20 0 EHADRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)c1 ZINC000446968533 1029875211 /nfs/dbraw/zinc/87/52/11/1029875211.db2.gz YSELAAKHNMHQPZ-UHFFFAOYSA-N -1 0 344.358 3.826 20 0 EHADRM CCCCCc1ccc([N-]S(=O)(=O)c2cnn(C(C)C)c2)cc1 ZINC000525533295 1029888919 /nfs/dbraw/zinc/88/89/19/1029888919.db2.gz XSEVYPRICMDHMG-UHFFFAOYSA-N -1 0 335.473 3.998 20 0 EHADRM Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1ccccc1F ZINC000119987220 1029892062 /nfs/dbraw/zinc/89/20/62/1029892062.db2.gz QGBHQKSFMOLRRD-UHFFFAOYSA-N -1 0 331.315 3.536 20 0 EHADRM CC[C@@H](C)n1ncc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1C1CC1 ZINC000455789262 1029943181 /nfs/dbraw/zinc/94/31/81/1029943181.db2.gz LAGHDTAHENQLKG-DOMZBBRYSA-N -1 0 349.475 3.741 20 0 EHADRM CO[C@@H](C)c1nc(=NCCc2cc(Cl)cc(Cl)c2)s[n-]1 ZINC000509650923 1029949509 /nfs/dbraw/zinc/94/95/09/1029949509.db2.gz RSKYQRSCKCLUEB-QMMMGPOBSA-N -1 0 332.256 3.629 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H](OCc2ccccc2)C1 ZINC001142657163 1030027540 /nfs/dbraw/zinc/02/75/40/1030027540.db2.gz PRTWNYXZKMYGNE-KRWDZBQOSA-N -1 0 345.826 3.829 20 0 EHADRM COc1ccccc1O[C@H](C)CN=c1[n-]nc(-c2ccccc2)s1 ZINC000525704869 1030041863 /nfs/dbraw/zinc/04/18/63/1030041863.db2.gz YEHVZAWKIBBZFN-CYBMUJFWSA-N -1 0 341.436 3.515 20 0 EHADRM CC(C)=C[C@H]1[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C)s2)C1(C)C ZINC000042317061 1030137815 /nfs/dbraw/zinc/13/78/15/1030137815.db2.gz CGSMOWUOMJCVGN-WCQYABFASA-N -1 0 327.471 3.940 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccc(SC(F)F)cc2)C1 ZINC000237954146 1030154085 /nfs/dbraw/zinc/15/40/85/1030154085.db2.gz IURLQWDKEAXYBK-NSHDSACASA-N -1 0 343.395 3.718 20 0 EHADRM C[C@@H](c1ccccc1F)S(=O)(=O)c1nc(-c2ccc(F)cc2)c[nH]1 ZINC000447495795 1030229031 /nfs/dbraw/zinc/22/90/31/1030229031.db2.gz BGXPNXFNLHIQNY-NSHDSACASA-N -1 0 348.374 3.890 20 0 EHADRM C[C@@H]1CCC[C@@H](C)N(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])C1 ZINC000447517310 1030241220 /nfs/dbraw/zinc/24/12/20/1030241220.db2.gz RVPPMQJQQVFJII-CHWSQXEVSA-N -1 0 347.846 3.882 20 0 EHADRM C[C@H](Cc1ccsc1)NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000531996050 1030247140 /nfs/dbraw/zinc/24/71/40/1030247140.db2.gz CDABWEHBNIIFSW-NEPJUHHUSA-N -1 0 349.477 3.674 20 0 EHADRM CC(C)(C)[C@@H]1CCN(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])C1 ZINC000447534625 1030269296 /nfs/dbraw/zinc/26/92/96/1030269296.db2.gz YWFIDWMBBYPWSV-GFCCVEGCSA-N -1 0 347.846 3.740 20 0 EHADRM Cc1ccc(NC(=O)C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc1 ZINC000122051811 1030498269 /nfs/dbraw/zinc/49/82/69/1030498269.db2.gz MDUTURNIOJIIIY-UHFFFAOYSA-N -1 0 339.178 3.585 20 0 EHADRM COC(C)(C)c1nc(C)c(C(=O)Nc2c(O)cccc2Cl)s1 ZINC000583702835 1030502531 /nfs/dbraw/zinc/50/25/31/1030502531.db2.gz GCEVPKHHZODOTF-UHFFFAOYSA-N -1 0 340.832 3.944 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)[C@@H]3C[C@@H]3c3sccc3C)[nH][n-]2)o1 ZINC000447805554 1030505855 /nfs/dbraw/zinc/50/58/55/1030505855.db2.gz JCTJKECUDYUXEJ-NWDGAFQWSA-N -1 0 327.409 3.512 20 0 EHADRM CC(C)CCc1cc([N-]S(=O)(=O)c2cc3ccccc3o2)[nH]n1 ZINC000527043012 1030588312 /nfs/dbraw/zinc/58/83/12/1030588312.db2.gz HGSATATVBNIBDM-UHFFFAOYSA-N -1 0 333.413 3.545 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1ccccc1C(C)C ZINC000527052120 1030606763 /nfs/dbraw/zinc/60/67/63/1030606763.db2.gz JBCGNKALTCMREG-UHFFFAOYSA-N -1 0 347.436 3.926 20 0 EHADRM CCc1cnc(CN=c2[n-]nc(SCc3ccccc3)s2)s1 ZINC000447965649 1030613887 /nfs/dbraw/zinc/61/38/87/1030613887.db2.gz UIZFYRKKIXDQML-UHFFFAOYSA-N -1 0 348.522 3.883 20 0 EHADRM CCSc1n[n-]c(=NCc2ccc3cc(OC)ccc3c2)s1 ZINC000447952769 1030622307 /nfs/dbraw/zinc/62/23/07/1030622307.db2.gz IVHFPNLXZNMWBE-UHFFFAOYSA-N -1 0 331.466 3.846 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)CC2CC(c3ccccc3)C2)Cc2ccccc21 ZINC000262746459 1030629870 /nfs/dbraw/zinc/62/98/70/1030629870.db2.gz BCHUSAMVLXRWID-PKUWUEBNSA-N -1 0 349.430 3.781 20 0 EHADRM O=C(N=c1nc(-c2ccsc2)[n-]s1)NC/C=C\c1ccccc1 ZINC000448005648 1030661795 /nfs/dbraw/zinc/66/17/95/1030661795.db2.gz WIJJWJXCNYVWBF-DAXSKMNVSA-N -1 0 342.449 3.523 20 0 EHADRM C[C@@H]1CCC[C@H](C)CN1C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000448005916 1030662751 /nfs/dbraw/zinc/66/27/51/1030662751.db2.gz XIHHLMMPKCHUFP-WDEREUQCSA-N -1 0 336.486 3.731 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2scnc2C2CC2)c(C)c1F ZINC000901906579 1030728432 /nfs/dbraw/zinc/72/84/32/1030728432.db2.gz VLEJJPSEPLLMQC-UHFFFAOYSA-N -1 0 340.445 3.886 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)N=c2ccc(C3CC3)n[n-]2)s1 ZINC000448153781 1030777011 /nfs/dbraw/zinc/77/70/11/1030777011.db2.gz GEGMKHJXADMRKV-AWEZNQCLSA-N -1 0 328.441 3.515 20 0 EHADRM CC(C)[C@@H]1CCCCN1C(=O)N=c1[n-]nc(-c2ccccc2)s1 ZINC000527329579 1030781357 /nfs/dbraw/zinc/78/13/57/1030781357.db2.gz QQTFEHIRRCXEQF-AWEZNQCLSA-N -1 0 330.457 3.669 20 0 EHADRM C[C@@H](CC1CCCC1)C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000583812496 1030808172 /nfs/dbraw/zinc/80/81/72/1030808172.db2.gz IZWFJGLWYCRITR-QGTPRVQTSA-N -1 0 329.440 3.530 20 0 EHADRM COc1cc(CNC(=O)CC2CCC(C)(C)CC2)ccc1C(=O)[O-] ZINC000431537647 1030817217 /nfs/dbraw/zinc/81/72/17/1030817217.db2.gz QPTWTAPQVIBIGG-UHFFFAOYSA-N -1 0 333.428 3.616 20 0 EHADRM CC(C)Cc1nsc(N2CCC(c3ccccc3C(=O)[O-])CC2)n1 ZINC000668168537 1030832190 /nfs/dbraw/zinc/83/21/90/1030832190.db2.gz AQPLMDGKNHOCFA-UHFFFAOYSA-N -1 0 345.468 3.819 20 0 EHADRM O=C(COc1ccccc1F)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000536139386 1030881118 /nfs/dbraw/zinc/88/11/18/1030881118.db2.gz DMCJNCRQOJPINU-UHFFFAOYSA-N -1 0 330.142 3.856 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N(Cc1ncc[nH]1)c1cccc(F)c1 ZINC001126639006 1030885991 /nfs/dbraw/zinc/88/59/91/1030885991.db2.gz OSXJOZMGMYLLQX-UHFFFAOYSA-N -1 0 345.761 3.755 20 0 EHADRM O=C([O-])[C@@H](CC1CC1)NC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000393237432 1030886045 /nfs/dbraw/zinc/88/60/45/1030886045.db2.gz ZZCSACNGWZYSMI-QGZVFWFLSA-N -1 0 340.379 3.854 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)N1CCC2(CCCC2)CC1 ZINC000448355887 1030977436 /nfs/dbraw/zinc/97/74/36/1030977436.db2.gz QEQMATXKFJBQFH-UHFFFAOYSA-N -1 0 336.439 3.754 20 0 EHADRM Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1ncccc1[O-] ZINC000123257422 1031039794 /nfs/dbraw/zinc/03/97/94/1031039794.db2.gz CYKBRUNNNXJXIA-UHFFFAOYSA-N -1 0 347.374 3.600 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)cc1 ZINC000261853061 1031087027 /nfs/dbraw/zinc/08/70/27/1031087027.db2.gz JQQNNLRBWXJHTL-STQMWFEESA-N -1 0 329.318 3.621 20 0 EHADRM CC(C)C[C@H]1C[C@@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)CCO1 ZINC000278492653 1031099490 /nfs/dbraw/zinc/09/94/90/1031099490.db2.gz KAVFAXYLTSOFHQ-RYUDHWBXSA-N -1 0 329.799 3.508 20 0 EHADRM COCc1n[n-]c(=N[C@H](Cc2ccccc2)c2ccccc2)s1 ZINC000477001708 1031168344 /nfs/dbraw/zinc/16/83/44/1031168344.db2.gz MNJGZCFEHOPDGC-MRXNPFEDSA-N -1 0 325.437 3.502 20 0 EHADRM COCc1n[n-]c(=NC[C@H](Cc2ccccc2)c2ccccc2)s1 ZINC000477101074 1031253003 /nfs/dbraw/zinc/25/30/03/1031253003.db2.gz OEUHSGHLFCGKSX-KRWDZBQOSA-N -1 0 339.464 3.545 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2ccc(C)cc2Cl)nc1 ZINC000116603771 1031254980 /nfs/dbraw/zinc/25/49/80/1031254980.db2.gz PGSKASGZISVDAG-UHFFFAOYSA-N -1 0 328.846 3.566 20 0 EHADRM COCc1n[n-]c(=NCC(C)(C)c2ccc(OCC(C)C)cc2)s1 ZINC000477121154 1031268498 /nfs/dbraw/zinc/26/84/98/1031268498.db2.gz NMNLHQRMIODGLI-UHFFFAOYSA-N -1 0 349.500 3.531 20 0 EHADRM CCCN(CC1CC1)C(=O)c1cc(Br)c(F)cc1[O-] ZINC000448568485 1031270819 /nfs/dbraw/zinc/27/08/19/1031270819.db2.gz ILLBMIKWKJIEPA-UHFFFAOYSA-N -1 0 330.197 3.556 20 0 EHADRM COc1cc2c(c(CNc3cc(C(=O)[O-])ccc3C)c1)O[C@H](C)C2 ZINC000551422462 1031316255 /nfs/dbraw/zinc/31/62/55/1031316255.db2.gz DMRFIYCONSYALY-GFCCVEGCSA-N -1 0 327.380 3.637 20 0 EHADRM N=c1[n-]nc(-c2cccc(-c3nc([C@H]4Cc5ccccc54)cs3)c2)o1 ZINC000477235300 1031373817 /nfs/dbraw/zinc/37/38/17/1031373817.db2.gz MYPXWUNYOXZVTH-HNNXBMFYSA-N -1 0 346.415 3.961 20 0 EHADRM N=c1[n-]nc(-c2cccc(-c3nc([C@@H]4Cc5ccccc54)cs3)c2)o1 ZINC000477235310 1031374589 /nfs/dbraw/zinc/37/45/89/1031374589.db2.gz MYPXWUNYOXZVTH-OAHLLOKOSA-N -1 0 346.415 3.961 20 0 EHADRM Cc1noc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)c1C ZINC000151386128 1031392772 /nfs/dbraw/zinc/39/27/72/1031392772.db2.gz WTPQHHZPUKJRTP-UHFFFAOYSA-N -1 0 336.800 3.899 20 0 EHADRM CC1(C)C[C@@]1(CNC(=O)CC1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000668297789 1031421229 /nfs/dbraw/zinc/42/12/29/1031421229.db2.gz BGZXXWOXEJUFLW-CPAJTMIGSA-N -1 0 343.467 3.752 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)N([C@H](C)C2CC2)C2CC2)cc1 ZINC000176436999 1031436792 /nfs/dbraw/zinc/43/67/92/1031436792.db2.gz ATPFFCOVXWSLDY-FATZIPQQSA-N -1 0 333.497 3.707 20 0 EHADRM CCCN(CC(C)C)C(=O)N=c1[n-]nc(/C=C/c2ccco2)s1 ZINC000484110352 1031461381 /nfs/dbraw/zinc/46/13/81/1031461381.db2.gz JWKCLGQNHFCCFJ-BQYQJAHWSA-N -1 0 334.445 3.623 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N=c2ccc(C(F)(F)F)n[n-]2)s1 ZINC000484133541 1031473601 /nfs/dbraw/zinc/47/36/01/1031473601.db2.gz ACKLZSDPPAVQTJ-UHFFFAOYSA-N -1 0 329.347 3.529 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)nn2C)cc1 ZINC000477381533 1031508811 /nfs/dbraw/zinc/50/88/11/1031508811.db2.gz MYVIQEPNYXZFMT-UHFFFAOYSA-N -1 0 347.484 3.831 20 0 EHADRM CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)N=c1[n-]nc(C2CC2)s1 ZINC000584046413 1031566681 /nfs/dbraw/zinc/56/66/81/1031566681.db2.gz KTDXBSMQUGBZDB-AWEZNQCLSA-N -1 0 348.447 3.838 20 0 EHADRM COC(=O)c1ccc(NC(=O)CC2(C(=O)[O-])CCCCCC2)cc1C ZINC000343599529 1031569287 /nfs/dbraw/zinc/56/92/87/1031569287.db2.gz OIJYXPDXGAOXPT-UHFFFAOYSA-N -1 0 347.411 3.535 20 0 EHADRM CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000484461131 1031592950 /nfs/dbraw/zinc/59/29/50/1031592950.db2.gz VDAGVFNCUKRDTP-UHFFFAOYSA-N -1 0 335.473 3.799 20 0 EHADRM CSc1ccc(CCCC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000584053745 1031593507 /nfs/dbraw/zinc/59/35/07/1031593507.db2.gz WOHQGTUIEFTRQY-MRXNPFEDSA-N -1 0 349.496 3.835 20 0 EHADRM CSc1ccc(CCCC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000584053744 1031595379 /nfs/dbraw/zinc/59/53/79/1031595379.db2.gz WOHQGTUIEFTRQY-INIZCTEOSA-N -1 0 349.496 3.835 20 0 EHADRM C[C@H](Cc1nnc([N-]S(=O)(=O)c2cccs2)o1)CC(C)(C)C ZINC000194883911 1031600999 /nfs/dbraw/zinc/60/09/99/1031600999.db2.gz FVFZNCFSGSAUHU-SNVBAGLBSA-N -1 0 343.474 3.547 20 0 EHADRM CC[C@H](Cc1ccc(NCc2nn(C)c3ccccc23)cc1)C(=O)[O-] ZINC000904015545 1031602668 /nfs/dbraw/zinc/60/26/68/1031602668.db2.gz RCDMIVLPFNLSQC-OAHLLOKOSA-N -1 0 337.423 3.839 20 0 EHADRM Cc1nc(C(C)C)oc1CN=c1nc(-c2ccccc2C)[n-]s1 ZINC000528025938 1031604221 /nfs/dbraw/zinc/60/42/21/1031604221.db2.gz HDGWBNJKRQBEIZ-UHFFFAOYSA-N -1 0 328.441 3.967 20 0 EHADRM Cc1cc(NCc2cn(C3CC3)cn2)ccc1-n1cccc1C(=O)[O-] ZINC000904011608 1031631342 /nfs/dbraw/zinc/63/13/42/1031631342.db2.gz AZTCFFNZLQSPBZ-UHFFFAOYSA-N -1 0 336.395 3.627 20 0 EHADRM O=C([O-])CCC(=O)Nc1ccccc1-c1nc2ccccc2s1 ZINC000551868504 1031729767 /nfs/dbraw/zinc/72/97/67/1031729767.db2.gz NQWKIGVVFMXQKM-UHFFFAOYSA-N -1 0 326.377 3.767 20 0 EHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)CCCCCc1cccs1 ZINC000262931052 1031733622 /nfs/dbraw/zinc/73/36/22/1031733622.db2.gz JZLIEDZQNFUBLQ-QGZVFWFLSA-N -1 0 325.474 3.857 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1cnc(-c2c(F)cccc2F)s1 ZINC000650796060 1031739385 /nfs/dbraw/zinc/73/93/85/1031739385.db2.gz KGTIGAPGGVCZTG-NOZJJQNGSA-N -1 0 338.379 3.526 20 0 EHADRM CCO[C@@H](c1noc(-c2cccc(Br)c2[O-])n1)C(C)C ZINC000904121860 1031757179 /nfs/dbraw/zinc/75/71/79/1031757179.db2.gz RJUNMRLCHIYJPJ-GFCCVEGCSA-N -1 0 341.205 3.938 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)cc1 ZINC000179524784 1031782094 /nfs/dbraw/zinc/78/20/94/1031782094.db2.gz JPCKYGIKZABSDM-UHFFFAOYSA-N -1 0 344.392 3.541 20 0 EHADRM CCO[C@@H]1C[C@H](NC(=O)c2cc(F)c(F)c([O-])c2F)C1(CC)CC ZINC000180126926 1031805399 /nfs/dbraw/zinc/80/53/99/1031805399.db2.gz ASAPYJNJSCMTJE-NWDGAFQWSA-N -1 0 345.361 3.523 20 0 EHADRM CSc1ccc(CN=c2[n-]nc(Cc3ccccc3F)o2)s1 ZINC000584145812 1031812531 /nfs/dbraw/zinc/81/25/31/1031812531.db2.gz SIXCFBQRKSKQKH-UHFFFAOYSA-N -1 0 335.429 3.617 20 0 EHADRM CCC(CC)(CC)CN=c1[n-]nc(-c2cccc(OC)c2OC)o1 ZINC000508609166 1031829797 /nfs/dbraw/zinc/82/97/97/1031829797.db2.gz OOOJAKFPKQZJAV-UHFFFAOYSA-N -1 0 333.432 3.804 20 0 EHADRM O=C([O-])N[C@H]1C[C@@H](Nc2cccc(COCC3CC3)c2)C12CCC2 ZINC000904198432 1031844646 /nfs/dbraw/zinc/84/46/46/1031844646.db2.gz DNSHJPZPOFFCFX-SJORKVTESA-N -1 0 330.428 3.604 20 0 EHADRM COc1ccc(C)cc1NCc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904198973 1031845224 /nfs/dbraw/zinc/84/52/24/1031845224.db2.gz LVQWEBOASSQFSA-UHFFFAOYSA-N -1 0 344.411 3.510 20 0 EHADRM O=C([O-])N[C@@H]1C[C@H](Nc2cccc(SC(F)F)c2)C12CCC2 ZINC000904200579 1031847782 /nfs/dbraw/zinc/84/77/82/1031847782.db2.gz UCBNJZFPQWHJRL-NWDGAFQWSA-N -1 0 328.384 3.992 20 0 EHADRM O=C([O-])C1CCN(c2ccc(CNCc3ccccc3Cl)o2)CC1 ZINC000904203832 1031852489 /nfs/dbraw/zinc/85/24/89/1031852489.db2.gz REFWNQGCQXDPCG-UHFFFAOYSA-N -1 0 348.830 3.524 20 0 EHADRM CS[C@H]1CC[C@@H](NS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000742326842 1131705902 /nfs/dbraw/zinc/70/59/02/1131705902.db2.gz AWXKFWHWSYCLSW-BDAKNGLRSA-N -1 0 340.297 3.556 20 0 EHADRM CC[C@H](C)n1ncc(N[C@H]2C[C@H](NC(=O)[O-])C23CCC3)c1C1CC1 ZINC000904228143 1031865628 /nfs/dbraw/zinc/86/56/28/1031865628.db2.gz KFBBGCZKEPXCOK-CQDKDKBSSA-N -1 0 332.448 3.722 20 0 EHADRM O=C([O-])N[C@H]1C[C@@H](Nc2cc(Cl)cc3cccnc32)C12CCC2 ZINC000904230083 1031867109 /nfs/dbraw/zinc/86/71/09/1031867109.db2.gz XXWBVSVOWMBGJW-KGLIPLIRSA-N -1 0 331.803 3.879 20 0 EHADRM O=C([O-])[C@@H](CC(=O)N[C@H]1CCCc2c(F)cccc21)c1ccccc1 ZINC000666105695 1031874069 /nfs/dbraw/zinc/87/40/69/1031874069.db2.gz MWRGWZZSEZPFFX-WMZOPIPTSA-N -1 0 341.382 3.578 20 0 EHADRM O=C([O-])[C@H](CC(=O)N[C@@H]1CCCc2c(F)cccc21)c1ccccc1 ZINC000666105691 1031875381 /nfs/dbraw/zinc/87/53/81/1031875381.db2.gz MWRGWZZSEZPFFX-SJLPKXTDSA-N -1 0 341.382 3.578 20 0 EHADRM COc1ccc2cc(N[C@H]3C[C@H](NC(=O)[O-])C34CCC4)ccc2c1 ZINC000904239968 1031888611 /nfs/dbraw/zinc/88/86/11/1031888611.db2.gz QXZDTDPJYMKGMB-IRXDYDNUSA-N -1 0 326.396 3.839 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1Cl ZINC000181201843 1031954495 /nfs/dbraw/zinc/95/44/95/1031954495.db2.gz DLXWMPCUNPLDPZ-UHFFFAOYSA-N -1 0 345.754 3.622 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ncn(-c2ccccc2)n1 ZINC000159248610 1031977506 /nfs/dbraw/zinc/97/75/06/1031977506.db2.gz XYRZIRPIQXNGCR-UHFFFAOYSA-N -1 0 349.177 3.532 20 0 EHADRM Cc1cc(C)cc([C@@H]2CCN(C(=O)Cc3ccc(C(=O)[O-])cc3)C2)c1 ZINC000448995294 1032000523 /nfs/dbraw/zinc/00/05/23/1032000523.db2.gz QAEJVBRWSQLAGS-GOSISDBHSA-N -1 0 337.419 3.560 20 0 EHADRM CCc1cc(=O)[nH]c(SCC(=O)c2c(C)c(C)cc(C)c2C)n1 ZINC000195073984 1032019165 /nfs/dbraw/zinc/01/91/65/1032019165.db2.gz BGTUMSYZKSHGPF-UHFFFAOYSA-N -1 0 330.453 3.541 20 0 EHADRM COc1cc(NC(=O)c2cc3c(s2)CCCC3)ccc1C(=O)[O-] ZINC000261865983 1032051033 /nfs/dbraw/zinc/05/10/33/1032051033.db2.gz KSYCDUWDKCFEQT-UHFFFAOYSA-N -1 0 331.393 3.586 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)CC1CC(c2ccccc2)C1 ZINC000263359906 1033356257 /nfs/dbraw/zinc/35/62/57/1033356257.db2.gz SZJZNLIOMMOFGR-VJFUWPCTSA-N -1 0 329.440 3.816 20 0 EHADRM CCCOc1ccc(CN=c2[n-]nc(Cc3ccsc3)o2)cc1 ZINC000537490805 1033378755 /nfs/dbraw/zinc/37/87/55/1033378755.db2.gz QOFMRBGNPMFXSI-UHFFFAOYSA-N -1 0 329.425 3.545 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2c[nH]c(C(C)C)n2)cc1C(F)(F)F ZINC000608007158 1033436968 /nfs/dbraw/zinc/43/69/68/1033436968.db2.gz CAXICZPCNLKVLP-UHFFFAOYSA-N -1 0 347.362 3.661 20 0 EHADRM COc1cccc2sc(NC(=O)c3ccc(Cl)cc3[O-])nc21 ZINC001143601357 1033444440 /nfs/dbraw/zinc/44/44/40/1033444440.db2.gz VNOUUWKUYGJWEX-UHFFFAOYSA-N -1 0 334.784 3.916 20 0 EHADRM CSCC1(Cc2nc(=O)c3snc(-c4ccccc4)c3[n-]2)CC1 ZINC000594661362 1033493812 /nfs/dbraw/zinc/49/38/12/1033493812.db2.gz SUJBWMFSXWWTQC-UHFFFAOYSA-N -1 0 343.477 3.732 20 0 EHADRM O=C([O-])CCC[S@@](=O)c1ccc(-c2ccc3c(c2)CCC3)cc1 ZINC000594874103 1033527719 /nfs/dbraw/zinc/52/77/19/1033527719.db2.gz QOYSKRSQDRACIO-HSZRJFAPSA-N -1 0 328.433 3.815 20 0 EHADRM Cc1ccc(F)c(NC(=O)N(CC(=O)[O-])[C@H](C)c2ccccc2)c1 ZINC000574828332 1033553252 /nfs/dbraw/zinc/55/32/52/1033553252.db2.gz KBECKQSYVMMVKX-CYBMUJFWSA-N -1 0 330.359 3.814 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1N(C)c1c(N)cccc1Br ZINC001211626546 1033582216 /nfs/dbraw/zinc/58/22/16/1033582216.db2.gz KTULJDAWZUIEGF-UHFFFAOYSA-N -1 0 335.201 3.806 20 0 EHADRM CC(C)n1cc([C@H](C)N=c2[n-]c(-c3cccc(Cl)c3)no2)cn1 ZINC000603393290 1033584207 /nfs/dbraw/zinc/58/42/07/1033584207.db2.gz HIGTYBXDLPOUNM-NSHDSACASA-N -1 0 331.807 3.762 20 0 EHADRM CCOC(=O)CCc1ccc(Nc2ccc(C(=O)[O-])cc2C)cc1 ZINC001211626509 1033585948 /nfs/dbraw/zinc/58/59/48/1033585948.db2.gz IPLIDCQWMDJBSR-UHFFFAOYSA-N -1 0 327.380 3.933 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000608340043 1033621593 /nfs/dbraw/zinc/62/15/93/1033621593.db2.gz GOMRZQHAKHGBBX-IXDOHACOSA-N -1 0 347.842 3.964 20 0 EHADRM CCc1cccc(CC)c1S(=O)(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000608343474 1033622683 /nfs/dbraw/zinc/62/26/83/1033622683.db2.gz KJYVVIOTBSXZON-UHFFFAOYSA-N -1 0 347.436 3.619 20 0 EHADRM O=S(=O)([N-]c1nccc2sccc21)c1ccc(F)cc1Cl ZINC000182020166 1033677770 /nfs/dbraw/zinc/67/77/70/1033677770.db2.gz YPIZOZHLSZYIEW-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM C[C@@H](Sc1n[n-]c(=NCc2ccccc2)s1)c1ccncc1 ZINC000599124022 1033746071 /nfs/dbraw/zinc/74/60/71/1033746071.db2.gz VOZZFFJPMPLBTB-GFCCVEGCSA-N -1 0 328.466 3.820 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000108066481 1033751669 /nfs/dbraw/zinc/75/16/69/1033751669.db2.gz ASPKKBZJPAHRIQ-BSEYFRJRSA-N -1 0 347.455 3.934 20 0 EHADRM COc1ncc(C)cc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000476433510 1033830537 /nfs/dbraw/zinc/83/05/37/1033830537.db2.gz UVMYEPDEGXJMNI-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM c1ccc(N=c2[n-]nc(SCc3nnc(C4CC4)s3)s2)cc1 ZINC000575132390 1033869836 /nfs/dbraw/zinc/86/98/36/1033869836.db2.gz DKRFCTKPEVACQW-UHFFFAOYSA-N -1 0 347.494 3.725 20 0 EHADRM CCSc1ccc([C@@H](C)NC(=O)N(CC(=O)[O-])CC(C)C)cc1 ZINC000575207305 1033889630 /nfs/dbraw/zinc/88/96/30/1033889630.db2.gz HOMJFYRIUGZQGC-CYBMUJFWSA-N -1 0 338.473 3.612 20 0 EHADRM COCCN=c1[n-]nc(S[C@H]2CCCCc3ccccc32)s1 ZINC000476479236 1033928222 /nfs/dbraw/zinc/92/82/22/1033928222.db2.gz FHRBWEPIZNZPDB-AWEZNQCLSA-N -1 0 335.498 3.578 20 0 EHADRM COCc1ccccc1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000055595265 1033969194 /nfs/dbraw/zinc/96/91/94/1033969194.db2.gz SLABHNAMUGXKCD-UHFFFAOYSA-N -1 0 346.235 3.941 20 0 EHADRM Cc1cc(C)c(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[nH]2)cc1C ZINC000347408742 1033990699 /nfs/dbraw/zinc/99/06/99/1033990699.db2.gz HDWPTLDIKIPCFZ-ALCCZGGFSA-N -1 0 326.396 3.603 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Nc1ccc2ncsc2c1 ZINC000322869889 1034021976 /nfs/dbraw/zinc/02/19/76/1034021976.db2.gz POTHUDJMRUQSEA-LBPRGKRZSA-N -1 0 333.413 3.548 20 0 EHADRM O=C(N=c1[n-]nc(C(F)F)s1)N[C@H](C1CCC1)C1CCCCC1 ZINC000646243837 1034037666 /nfs/dbraw/zinc/03/76/66/1034037666.db2.gz ZFZBKADXKZOOHO-NSHDSACASA-N -1 0 344.431 3.768 20 0 EHADRM COc1cc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])ccc1Cl ZINC000322998216 1034070287 /nfs/dbraw/zinc/07/02/87/1034070287.db2.gz BZHTXULLQFSQTC-GFCCVEGCSA-N -1 0 340.807 3.600 20 0 EHADRM Cn1nc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])c2c1CCCC2 ZINC000450340079 1034146447 /nfs/dbraw/zinc/14/64/47/1034146447.db2.gz DKORYGUZVUHBDJ-UHFFFAOYSA-N -1 0 340.210 3.564 20 0 EHADRM Cc1cc(/C=C\c2cc(C(=O)[O-])ncn2)ccc1Oc1cccnc1 ZINC000534143497 1034160556 /nfs/dbraw/zinc/16/05/56/1034160556.db2.gz HBYCECSSLWIGQD-XQRVVYSFSA-N -1 0 333.347 3.841 20 0 EHADRM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccnn2[C@@H](C)C2CC2)cc1 ZINC000534205504 1034232092 /nfs/dbraw/zinc/23/20/92/1034232092.db2.gz HVOKORCDNPYDTB-AWEZNQCLSA-N -1 0 347.484 3.853 20 0 EHADRM Cc1cc(C)cc(CSCC2=Nc3ccccc3S(=O)(=O)[N-]2)c1 ZINC000119757039 1034238288 /nfs/dbraw/zinc/23/82/88/1034238288.db2.gz GOCMQUCVFHOMGK-UHFFFAOYSA-N -1 0 346.477 3.559 20 0 EHADRM Cc1cc(-c2cc(F)ccc2CC(=O)[O-])ccc1O[C@H]1CCOC1 ZINC000517176408 1034269039 /nfs/dbraw/zinc/26/90/39/1034269039.db2.gz MOBCKPADLOEYEP-INIZCTEOSA-N -1 0 330.355 3.596 20 0 EHADRM CN(C(=O)c1ccc(Cl)c(Cl)c1[O-])[C@@H](CO)CC(C)(C)C ZINC000456426320 1034421479 /nfs/dbraw/zinc/42/14/79/1034421479.db2.gz BDISMFRMOZCZLS-SECBINFHSA-N -1 0 334.243 3.568 20 0 EHADRM CCO[C@H]1CCCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C1 ZINC000081957502 1034426195 /nfs/dbraw/zinc/42/61/95/1034426195.db2.gz RGZBTKMXRHTBJO-LBPRGKRZSA-N -1 0 333.815 3.840 20 0 EHADRM O=C(N=c1nc(-c2ccsc2)[n-]s1)c1ccc2c(c1)CCCC2 ZINC000596897937 1034432271 /nfs/dbraw/zinc/43/22/71/1034432271.db2.gz ZOERRNUXDICSNJ-UHFFFAOYSA-N -1 0 341.461 3.820 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000604708683 1034462320 /nfs/dbraw/zinc/46/23/20/1034462320.db2.gz PNBHOTRRUBTJHX-QGZVFWFLSA-N -1 0 339.439 3.695 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-] ZINC000597027260 1034503223 /nfs/dbraw/zinc/50/32/23/1034503223.db2.gz XFRUPJIXQDRZDG-QWRGUYRKSA-N -1 0 339.457 3.526 20 0 EHADRM CCc1oc(C(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)cc1C(=O)[O-] ZINC000450540652 1034515346 /nfs/dbraw/zinc/51/53/46/1034515346.db2.gz AOYCWVOHSHGMGJ-LBPRGKRZSA-N -1 0 347.333 3.591 20 0 EHADRM CCCc1ccc(NC(=O)N(CC(=O)[O-])Cc2ccccc2)cc1 ZINC000692464478 1034532154 /nfs/dbraw/zinc/53/21/54/1034532154.db2.gz SGRKUEPFMPSGGB-UHFFFAOYSA-N -1 0 326.396 3.758 20 0 EHADRM O=C(c1nn(-c2ccccc2)cc1[O-])N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000456588844 1034596212 /nfs/dbraw/zinc/59/62/12/1034596212.db2.gz ONQLVJDTLXISBO-SFHVURJKSA-N -1 0 349.390 3.538 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc(Cl)c(Cl)c1 ZINC000060494987 1034611431 /nfs/dbraw/zinc/61/14/31/1034611431.db2.gz YIIAMSBWFRJYPQ-UHFFFAOYSA-N -1 0 344.219 3.995 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3s2)c(C)c1C ZINC000605075122 1034618125 /nfs/dbraw/zinc/61/81/25/1034618125.db2.gz QHYNHWKNYLAPSI-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)[N-]S(=O)(=O)c3ccccc3)cc2C1 ZINC000060489105 1034622701 /nfs/dbraw/zinc/62/27/01/1034622701.db2.gz IFMBUXWDHKYJGW-LLVKDONJSA-N -1 0 335.450 3.566 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000326438365 1034660295 /nfs/dbraw/zinc/66/02/95/1034660295.db2.gz UELZGARPKLDYFB-JQWIXIFHSA-N -1 0 344.333 3.588 20 0 EHADRM CN=c1[n-]nc(SCc2ccc([C@@H](C)C(F)(F)F)cc2)s1 ZINC000450733453 1034740653 /nfs/dbraw/zinc/74/06/53/1034740653.db2.gz QDVDCIANYNZVLM-MRVPVSSYSA-N -1 0 333.404 3.960 20 0 EHADRM CC(C)CCn1nc(CN=c2[n-]nc(C(C)C)o2)c2ccccc21 ZINC000450735294 1034743542 /nfs/dbraw/zinc/74/35/42/1034743542.db2.gz ZZUZWDYHDHWAGG-UHFFFAOYSA-N -1 0 327.432 3.623 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1c[nH]c(=S)n1-c1ccccc1 ZINC000172110391 1034832228 /nfs/dbraw/zinc/83/22/28/1034832228.db2.gz RBDGNUBDOOFZHP-UHFFFAOYSA-N -1 0 345.811 3.772 20 0 EHADRM CCOC(=O)CCc1c(C)[n-]n(-c2cc(Cl)cc(Cl)c2)c1=O ZINC000601941591 1034843125 /nfs/dbraw/zinc/84/31/25/1034843125.db2.gz XQSJBELNWATOIO-CYBMUJFWSA-N -1 0 343.210 3.675 20 0 EHADRM C[C@@H](S[C@H](C)C(=O)Nc1cc(Cl)c(F)c(Cl)c1)C(=O)[O-] ZINC000601986647 1034849364 /nfs/dbraw/zinc/84/93/64/1034849364.db2.gz DTSKFCOZBBMMMG-PHDIDXHHSA-N -1 0 340.203 3.666 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)N1Cc2ccccc2-c2ccccc21)C(=O)[O-] ZINC000602010187 1034856809 /nfs/dbraw/zinc/85/68/09/1034856809.db2.gz UEZZJYDISMQPGY-QWHCGFSZSA-N -1 0 341.432 3.795 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)C[C@H](C(=O)[O-])c2ccccc2)c1C ZINC000606149917 1034874872 /nfs/dbraw/zinc/87/48/72/1034874872.db2.gz SNIQIUUVUMPMAW-YJBOKZPZSA-N -1 0 325.408 3.739 20 0 EHADRM O=C1N=NC(C2CC[NH+](CCc3c(Cl)cccc3Cl)CC2)O1 ZINC000450931136 1034936983 /nfs/dbraw/zinc/93/69/83/1034936983.db2.gz YVOAWNMWFILAAI-UHFFFAOYSA-N -1 0 342.226 3.504 20 0 EHADRM O=S(=O)(Cc1ccc(C(F)F)cc1)[N-]C1(C(F)(F)F)CCC1 ZINC000450995417 1035006645 /nfs/dbraw/zinc/00/66/45/1035006645.db2.gz DTORGSULVHTASA-UHFFFAOYSA-N -1 0 343.317 3.529 20 0 EHADRM Cc1cc(NC(=O)c2cnc([C@H]3CCCO3)s2)cc(C(=O)[O-])c1C ZINC000431682483 1035225260 /nfs/dbraw/zinc/22/52/60/1035225260.db2.gz ADLJPAZMHDKLDB-CYBMUJFWSA-N -1 0 346.408 3.562 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H]1C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000317015848 1035239185 /nfs/dbraw/zinc/23/91/85/1035239185.db2.gz BQYHOUSGCZUHGN-RKDXNWHRSA-N -1 0 335.709 3.798 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2ncsc2C(C)C)c(C)c1 ZINC000570427574 1035252366 /nfs/dbraw/zinc/25/23/66/1035252366.db2.gz PPJBBXWWUUCFBV-UHFFFAOYSA-N -1 0 340.470 3.774 20 0 EHADRM Cc1cc(Cl)cc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2C)c1 ZINC000431782822 1035480494 /nfs/dbraw/zinc/48/04/94/1035480494.db2.gz HAYKYPLHANDDBD-MRXNPFEDSA-N -1 0 331.799 3.903 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2cnccc2C)cc1Cl ZINC000185627678 1035504521 /nfs/dbraw/zinc/50/45/21/1035504521.db2.gz IMTMZRDORAFINK-UHFFFAOYSA-N -1 0 328.846 3.566 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)Nc2ccc(-c3ccco3)cc2F)C1 ZINC000571506537 1035513022 /nfs/dbraw/zinc/51/30/22/1035513022.db2.gz HQMDOTAGQXYQJT-GFCCVEGCSA-N -1 0 346.358 3.804 20 0 EHADRM COc1ccc2oc([C@H](C)N=c3nc([C@H](C)OC)[n-]s3)c(C)c2c1 ZINC000509710880 1035519493 /nfs/dbraw/zinc/51/94/93/1035519493.db2.gz HCUOIFXNZHRTIJ-QWRGUYRKSA-N -1 0 347.440 3.904 20 0 EHADRM COc1ccc2oc([C@@H](C)N=c3nc([C@H](C)OC)[n-]s3)c(C)c2c1 ZINC000509710879 1035520955 /nfs/dbraw/zinc/52/09/55/1035520955.db2.gz HCUOIFXNZHRTIJ-MNOVXSKESA-N -1 0 347.440 3.904 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)N2Cc3ccccc3C(C)(C)C2)s1 ZINC000534735681 1035535729 /nfs/dbraw/zinc/53/57/29/1035535729.db2.gz HSHXZHMBWRZBBK-UHFFFAOYSA-N -1 0 344.484 3.583 20 0 EHADRM COc1ccc(CCCC(=O)N[C@@H](CC(=O)[O-])C2CCCCC2)cc1 ZINC000540704496 1035585196 /nfs/dbraw/zinc/58/51/96/1035585196.db2.gz DNNASYWURDKBHA-SFHVURJKSA-N -1 0 347.455 3.558 20 0 EHADRM CCC(CC)(CNC(=O)c1ccc2c(c1)Cc1ccccc1-2)C(=O)[O-] ZINC000431803899 1035608354 /nfs/dbraw/zinc/60/83/54/1035608354.db2.gz DGTVMBWKDPVPMP-UHFFFAOYSA-N -1 0 337.419 3.879 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cc(C)ccc2F)[nH]nc1-c1ccccc1 ZINC000534799998 1035632602 /nfs/dbraw/zinc/63/26/02/1035632602.db2.gz PPCQFKLLVDXRSQ-UHFFFAOYSA-N -1 0 345.399 3.633 20 0 EHADRM C[C@@H](Oc1n[n-]c(=O)cc1Cl)c1cc(Br)ccc1F ZINC001233587454 1035638630 /nfs/dbraw/zinc/63/86/30/1035638630.db2.gz RMWBXPHQNFBMKO-ZCFIWIBFSA-N -1 0 347.571 3.877 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)C=Cc2ccnc3ccccc23)c1 ZINC000492369170 1035689874 /nfs/dbraw/zinc/68/98/74/1035689874.db2.gz OLGVXUUAFIGGFM-VQHVLOKHSA-N -1 0 332.359 3.795 20 0 EHADRM CC(C)(C)c1n[n-]c(=NCc2c(F)cccc2N2CCCC2)s1 ZINC000540808715 1035700792 /nfs/dbraw/zinc/70/07/92/1035700792.db2.gz GQMLIVLTCCFYDT-UHFFFAOYSA-N -1 0 334.464 3.609 20 0 EHADRM CCC(CC)c1n[n-]c(=NCc2cnc3ccc(Cl)cn23)s1 ZINC000540808289 1035701232 /nfs/dbraw/zinc/70/12/32/1035701232.db2.gz MTINNIQZUCIUMZ-UHFFFAOYSA-N -1 0 335.864 3.777 20 0 EHADRM Cc1cc(C)c(C([O-])=CS(=O)(=O)c2ccc(C)c(C)c2)c(C)c1 ZINC000321360419 1035704879 /nfs/dbraw/zinc/70/48/79/1035704879.db2.gz BJBRWWKQRZIQRP-UHFFFAOYSA-N -1 0 330.449 3.885 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)NCCCC3CCCCC3)cc2=O)cc1 ZINC000173940248 1035721853 /nfs/dbraw/zinc/72/18/53/1035721853.db2.gz FNGVBJLLSLROHG-UHFFFAOYSA-N -1 0 341.455 3.564 20 0 EHADRM C[C@@H](N=c1[n-]c(-c2ccccc2)no1)c1ccccc1OC(F)F ZINC000588160093 1035732327 /nfs/dbraw/zinc/73/23/27/1035732327.db2.gz CEIAWAVBNSPZQC-LLVKDONJSA-N -1 0 331.322 3.933 20 0 EHADRM Cc1ccc(C[C@@H](C)N(C)C(=O)c2nn(-c3ccccc3)cc2[O-])cc1 ZINC000174105586 1035792216 /nfs/dbraw/zinc/79/22/16/1035792216.db2.gz HHWIHEPNIJRUEQ-MRXNPFEDSA-N -1 0 349.434 3.590 20 0 EHADRM CCC[C@H]1C[C@H](C(=O)Nc2ccc(Br)cc2O)CCO1 ZINC000540944988 1035831065 /nfs/dbraw/zinc/83/10/65/1035831065.db2.gz XJDXGUSHOFEXAW-PWSUYJOCSA-N -1 0 342.233 3.689 20 0 EHADRM CC(C)c1cnc([N-]S(=O)(=O)c2cccc3cnccc32)s1 ZINC000174013212 1035833390 /nfs/dbraw/zinc/83/33/90/1035833390.db2.gz ZXDPZQZVRKUCPA-UHFFFAOYSA-N -1 0 333.438 3.616 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@@H+]1Cc1csc(-c2cccs2)n1 ZINC000571941342 1035843789 /nfs/dbraw/zinc/84/37/89/1035843789.db2.gz DUHHBODWFQDIRN-MDZLAQPJSA-N -1 0 336.482 3.945 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(F)c(F)c1[O-])[C@@H]1OCCc2sccc21 ZINC000457319166 1035951109 /nfs/dbraw/zinc/95/11/09/1035951109.db2.gz WCMRECOAYIPFCD-GLEZIHRCSA-N -1 0 339.363 3.621 20 0 EHADRM O=C(Nc1ccc(F)c(F)c1[O-])c1ccccc1N1CCCCC1 ZINC000457311107 1035968279 /nfs/dbraw/zinc/96/82/79/1035968279.db2.gz JXFABQCHOYLJTN-UHFFFAOYSA-N -1 0 332.350 3.913 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000164859733 1035976369 /nfs/dbraw/zinc/97/63/69/1035976369.db2.gz XUIBECOXWZXNSY-OLZOCXBDSA-N -1 0 339.391 3.634 20 0 EHADRM COc1nc(C(F)(F)F)ccc1-c1ccc2c(c1)CC[C@@H]2C(=O)[O-] ZINC000521462675 1035989892 /nfs/dbraw/zinc/98/98/92/1035989892.db2.gz LQXUYCDSTVZLKW-ZDUSSCGKSA-N -1 0 337.297 3.890 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)N[C@@H](C)c1cccc2ccccc21)C1CC1 ZINC000572194998 1036039029 /nfs/dbraw/zinc/03/90/29/1036039029.db2.gz OHYVDZUHKWWCLB-UGSOOPFHSA-N -1 0 340.423 3.938 20 0 EHADRM Cc1ccc(OC2CC[NH+](Cc3ccoc3C(=O)[O-])CC2)cc1C ZINC000572295895 1036060252 /nfs/dbraw/zinc/06/02/52/1036060252.db2.gz DTHZMBXNAMOXIQ-UHFFFAOYSA-N -1 0 329.396 3.638 20 0 EHADRM CCCCCOc1ccc(C(=O)N=c2ccc(C3CC3)n[n-]2)cc1 ZINC000572277569 1036069655 /nfs/dbraw/zinc/06/96/55/1036069655.db2.gz WUFBPWNVJACUDJ-UHFFFAOYSA-N -1 0 325.412 3.597 20 0 EHADRM CCC[C@@H](CNC(=O)CCCc1csc2ccccc12)C(=O)[O-] ZINC000263112704 1036098025 /nfs/dbraw/zinc/09/80/25/1036098025.db2.gz GDVCXVUOHIMQJW-ZDUSSCGKSA-N -1 0 333.453 3.841 20 0 EHADRM CCc1cccc([N-]S(=O)(=O)c2c(C)nn(CC(C)C)c2C)c1 ZINC000541303870 1036173143 /nfs/dbraw/zinc/17/31/43/1036173143.db2.gz HYIOMPDMAQYYQE-UHFFFAOYSA-N -1 0 335.473 3.519 20 0 EHADRM Cn1ccc2c1cccc2NC(=O)CC1(C(=O)[O-])CCCCCC1 ZINC000588908805 1036196470 /nfs/dbraw/zinc/19/64/70/1036196470.db2.gz AEYMTJAGVRWYAO-UHFFFAOYSA-N -1 0 328.412 3.932 20 0 EHADRM CCCCn1ncc([N-]S(=O)(=O)c2ccc(CC)c(CC)c2)c1C ZINC000535234619 1036242463 /nfs/dbraw/zinc/24/24/63/1036242463.db2.gz SNQQFXZAMWFIKY-UHFFFAOYSA-N -1 0 349.500 3.917 20 0 EHADRM O=C(/C=C/c1ccc2c(c1)CCO2)Nc1cc(Cl)c([O-])cc1F ZINC000492805417 1036300514 /nfs/dbraw/zinc/30/05/14/1036300514.db2.gz YXJPDWPTBZAXOG-DUXPYHPUSA-N -1 0 333.746 3.772 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)N=c1ncn(C(C)(C)C)[n-]1)c1cccc(F)c1 ZINC000541504191 1036384254 /nfs/dbraw/zinc/38/42/54/1036384254.db2.gz QWUCEVHNUMAMIY-AWEZNQCLSA-N -1 0 347.438 3.503 20 0 EHADRM COc1ccc([C@@H](C)N=c2[n-]c(-c3cccc(Cl)c3)no2)cc1 ZINC000520757256 1036408755 /nfs/dbraw/zinc/40/87/55/1036408755.db2.gz FXASCFWPQYLRTE-LLVKDONJSA-N -1 0 329.787 3.994 20 0 EHADRM O=C(CC1CCCCCC1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000175072391 1036465295 /nfs/dbraw/zinc/46/52/95/1036465295.db2.gz UMQHRXYHRVXLPT-UHFFFAOYSA-N -1 0 335.878 3.567 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2cnc(C(F)(F)F)cc2C)c1 ZINC000685902586 1036508710 /nfs/dbraw/zinc/50/87/10/1036508710.db2.gz PBNCORHNEMACRB-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cc1O)c1cccc2ccccc21 ZINC000318546871 1036525376 /nfs/dbraw/zinc/52/53/76/1036525376.db2.gz ZFGVNAMIMLUKPU-UHFFFAOYSA-N -1 0 333.796 4.000 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N(Cc2ccccc2C)C2CC2)s1 ZINC000589710751 1036602935 /nfs/dbraw/zinc/60/29/35/1036602935.db2.gz LIODCSJOUUHNBS-UHFFFAOYSA-N -1 0 348.497 3.577 20 0 EHADRM COc1ccc(C[C@@H](C)C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cc1 ZINC000263174606 1036603824 /nfs/dbraw/zinc/60/38/24/1036603824.db2.gz GKBQONCKDBRTMJ-ZIAGYGMSSA-N -1 0 341.407 3.701 20 0 EHADRM CC(C)C[C@@H](NC(=O)NCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000263187742 1036611870 /nfs/dbraw/zinc/61/18/70/1036611870.db2.gz FWZWCZDKASYHOR-CYBMUJFWSA-N -1 0 346.349 3.567 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)cc1 ZINC000263358231 1036804816 /nfs/dbraw/zinc/80/48/16/1036804816.db2.gz XPXAYPYXSGZVOO-VQISRLSMSA-N -1 0 345.345 3.895 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000653280880 1036861424 /nfs/dbraw/zinc/86/14/24/1036861424.db2.gz OJVIVAGSBFZLHV-UHFFFAOYSA-N -1 0 332.425 3.948 20 0 EHADRM Cn1nc(C2CCCC2)cc1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000541936158 1036864617 /nfs/dbraw/zinc/86/46/17/1036864617.db2.gz QPJZWUPHEXYTRW-UHFFFAOYSA-N -1 0 345.424 3.625 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N3CCC[C@]3(C)C(=O)[O-])o2)cc1 ZINC000263411510 1036880664 /nfs/dbraw/zinc/88/06/64/1036880664.db2.gz HBZLAXYXKJUAAK-LJQANCHMSA-N -1 0 327.380 3.588 20 0 EHADRM CC(C)(C)Cc1csc([N-]S(=O)(=O)c2cc(F)cc(F)c2)n1 ZINC000539552591 1036915917 /nfs/dbraw/zinc/91/59/17/1036915917.db2.gz BEQYKGNDMJHAJV-UHFFFAOYSA-N -1 0 346.424 3.811 20 0 EHADRM O=C([N-]OCc1ccccc1)C1(c2cccc(Cl)c2)CCOCC1 ZINC000053134614 1036962211 /nfs/dbraw/zinc/96/22/11/1036962211.db2.gz KHPFBTCLMRYHIP-UHFFFAOYSA-N -1 0 345.826 3.636 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)nc1 ZINC000178183231 1037008248 /nfs/dbraw/zinc/00/82/48/1037008248.db2.gz HSUVCDVJOWGWDU-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)[C@H](c2ccccc2)C2CC2)sc1C(=O)[O-] ZINC000263526862 1037041144 /nfs/dbraw/zinc/04/11/44/1037041144.db2.gz KIYBZRJLEACBNP-BXUZGUMPSA-N -1 0 344.436 3.521 20 0 EHADRM CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@H](C)CC(=O)[O-] ZINC000263535925 1037067772 /nfs/dbraw/zinc/06/77/72/1037067772.db2.gz OOWGWXTTZNOZJT-DGCLKSJQSA-N -1 0 345.361 3.501 20 0 EHADRM C[C@@H](CCC(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1ccccc1 ZINC000178656027 1037071218 /nfs/dbraw/zinc/07/12/18/1037071218.db2.gz ZUFZGYWFMNLYJU-ZDUSSCGKSA-N -1 0 337.379 3.552 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000263536611 1037072239 /nfs/dbraw/zinc/07/22/39/1037072239.db2.gz OVKTXMSAZYLLLG-QGZVFWFLSA-N -1 0 349.477 3.929 20 0 EHADRM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)C=C(C)c2ccccc2)c1 ZINC000054427635 1037093944 /nfs/dbraw/zinc/09/39/44/1037093944.db2.gz CRQXYRYURTVKTN-QBFSEMIESA-N -1 0 343.404 3.638 20 0 EHADRM CCC(CC)c1n[n-]c(=NCc2cccc(-n3cccn3)c2)s1 ZINC000539708912 1037098087 /nfs/dbraw/zinc/09/80/87/1037098087.db2.gz GNGWRHAGJPCBNS-UHFFFAOYSA-N -1 0 327.457 3.661 20 0 EHADRM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1cc2sccc2s1 ZINC000590961438 1037142153 /nfs/dbraw/zinc/14/21/53/1037142153.db2.gz VQWMKDYOOBEBEG-UHFFFAOYSA-N -1 0 343.389 3.558 20 0 EHADRM CC(C)c1ccccc1NC(=O)N(CCc1ccccc1)CC(=O)[O-] ZINC000573051281 1037170240 /nfs/dbraw/zinc/17/02/40/1037170240.db2.gz JTSZHYLBTNILOL-UHFFFAOYSA-N -1 0 340.423 3.971 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1cc(F)c(OC(C)C)c(F)c1 ZINC000542235414 1037187819 /nfs/dbraw/zinc/18/78/19/1037187819.db2.gz CMFIQSHSUGHQEM-UHFFFAOYSA-N -1 0 347.408 3.923 20 0 EHADRM CCOCc1cccc([N-]S(=O)(=O)c2c(C)cccc2Cl)c1 ZINC000414384891 1037192735 /nfs/dbraw/zinc/19/27/35/1037192735.db2.gz UWJJOXXAUXLMED-UHFFFAOYSA-N -1 0 339.844 3.986 20 0 EHADRM C[C@@H]1CC[C@@H](CNC(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)C1 ZINC000666545982 1037203152 /nfs/dbraw/zinc/20/31/52/1037203152.db2.gz ITPALNYSIHCKEV-HUUCEWRRSA-N -1 0 344.455 3.710 20 0 EHADRM COc1cc(/C=C2\CCCc3ccccc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000057817061 1037205462 /nfs/dbraw/zinc/20/54/62/1037205462.db2.gz BNYRXLTUCLRLNC-NTEUORMPSA-N -1 0 339.347 3.912 20 0 EHADRM O=S(=O)([N-]c1cnoc1C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000414387799 1037242205 /nfs/dbraw/zinc/24/22/05/1037242205.db2.gz WZUGKGGSNNVMBY-UHFFFAOYSA-N -1 0 333.196 3.660 20 0 EHADRM CCC[C@@H](C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1)c1ccccc1 ZINC000591188996 1037269492 /nfs/dbraw/zinc/26/94/92/1037269492.db2.gz ZEENTGATNNQVNE-MRXNPFEDSA-N -1 0 337.379 3.552 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2CC[C@@H](c3cc(C)cc(C)c3)C2)s1 ZINC000542357906 1037318594 /nfs/dbraw/zinc/31/85/94/1037318594.db2.gz VBPWJLKUWKWBGL-CQSZACIVSA-N -1 0 344.484 3.551 20 0 EHADRM CC(C)C[C@@H](C(=O)N[C@H](C)CCC(=O)[O-])c1ccc(Cl)cc1 ZINC000659142443 1037363615 /nfs/dbraw/zinc/36/36/15/1037363615.db2.gz SKMJELGHMHVQGQ-IUODEOHRSA-N -1 0 325.836 3.839 20 0 EHADRM Cc1nc([C@H](C)NC(=O)c2ccc(C3CC3)cc2)sc1C(=O)[O-] ZINC000659143053 1037363847 /nfs/dbraw/zinc/36/38/47/1037363847.db2.gz LGVCXQUUYLVAQH-JTQLQIEISA-N -1 0 330.409 3.518 20 0 EHADRM CC(C)C[C@@H](C(=O)N[C@@H](C)CCC(=O)[O-])c1ccc(Cl)cc1 ZINC000659142444 1037365112 /nfs/dbraw/zinc/36/51/12/1037365112.db2.gz SKMJELGHMHVQGQ-SWLSCSKDSA-N -1 0 325.836 3.839 20 0 EHADRM CC(C)C[C@H](C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000659146033 1037368701 /nfs/dbraw/zinc/36/87/01/1037368701.db2.gz QVMJMOLONSHOQY-IMJJTQAJSA-N -1 0 337.847 3.839 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C2CC3(C2)CCCCC3)C[C@@H]1c1ccccc1 ZINC000659159184 1037382260 /nfs/dbraw/zinc/38/22/60/1037382260.db2.gz LGAGGNRVVWQELV-QZTJIDSGSA-N -1 0 341.451 3.674 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(C(=O)[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000659157254 1037393973 /nfs/dbraw/zinc/39/39/73/1037393973.db2.gz RINOSLOVJSMYPP-QXAKKESOSA-N -1 0 341.451 3.602 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)NCc2ccc(-c3cccs3)cc2)CC1 ZINC000659170242 1037413094 /nfs/dbraw/zinc/41/30/94/1037413094.db2.gz JXKPCLHNAWTIJA-WKILWMFISA-N -1 0 343.448 3.922 20 0 EHADRM CCCc1cc(C(=O)Nc2ccn([C@H](CCC)C(=O)[O-])n2)sc1C ZINC000659184364 1037438499 /nfs/dbraw/zinc/43/84/99/1037438499.db2.gz CGZBMIITCSBJFK-CYBMUJFWSA-N -1 0 349.456 3.884 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)C(C)(C)Cc2ccccc2)n1 ZINC000659188446 1037440155 /nfs/dbraw/zinc/44/01/55/1037440155.db2.gz UCHPWDRJDIDERD-OAHLLOKOSA-N -1 0 343.427 3.516 20 0 EHADRM CCCOc1cccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)c1 ZINC000659190281 1037445871 /nfs/dbraw/zinc/44/58/71/1037445871.db2.gz AEHBFDKYHNJPHI-BZSNNMDCSA-N -1 0 345.439 3.581 20 0 EHADRM Cc1ccc(CCC(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)c(C)c1 ZINC000659196733 1037453692 /nfs/dbraw/zinc/45/36/92/1037453692.db2.gz XTKNQPVWXKHYSG-QYZOEREBSA-N -1 0 343.467 3.728 20 0 EHADRM CCc1sc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)cc1C ZINC000659193131 1037460089 /nfs/dbraw/zinc/46/00/89/1037460089.db2.gz IGCFXRQFVWGGKC-HZSPNIEDSA-N -1 0 335.469 3.724 20 0 EHADRM O=S(=O)([N-]c1ccnn1-c1ccccc1)c1ccc(C(F)F)cc1 ZINC000342441307 1037461384 /nfs/dbraw/zinc/46/13/84/1037461384.db2.gz DBIOJGZJWDVRDF-UHFFFAOYSA-N -1 0 349.362 3.611 20 0 EHADRM C[C@](CCF)(NC(=O)Cc1ccc(C2CCCCC2)cc1)C(=O)[O-] ZINC000659214879 1037498659 /nfs/dbraw/zinc/49/86/59/1037498659.db2.gz OFYNQBBTISQWEW-LJQANCHMSA-N -1 0 335.419 3.596 20 0 EHADRM O=C([N-]N1CCCCC1=O)c1sc2cc(Cl)ccc2c1Cl ZINC000171213304 1037517702 /nfs/dbraw/zinc/51/77/02/1037517702.db2.gz HGJAMLSVDLVPCK-UHFFFAOYSA-N -1 0 343.235 3.865 20 0 EHADRM CC(C)Oc1ccc(/C=C\C(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000493639820 1037525914 /nfs/dbraw/zinc/52/59/14/1037525914.db2.gz FKVJXRLAULXIBG-UITAMQMPSA-N -1 0 345.439 3.590 20 0 EHADRM Cc1nc(-c2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cc2)co1 ZINC000591795598 1037606863 /nfs/dbraw/zinc/60/68/63/1037606863.db2.gz RSAOMZDNDDAPDR-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000532564004 1037652494 /nfs/dbraw/zinc/65/24/94/1037652494.db2.gz LCDZFMBPTVYMSJ-KRWDZBQOSA-N -1 0 338.455 3.569 20 0 EHADRM Cc1ccc(C)c([C@@H]2CCCN2C(=O)N=c2ccc(C3CC3)n[n-]2)c1 ZINC000532566275 1037660443 /nfs/dbraw/zinc/66/04/43/1037660443.db2.gz SJRKALNIPZGPKA-SFHVURJKSA-N -1 0 336.439 3.762 20 0 EHADRM Cc1cc(F)cc2[nH]c(C(=O)NC3(CC(=O)[O-])CCCCC3)cc21 ZINC000532593321 1037725432 /nfs/dbraw/zinc/72/54/32/1037725432.db2.gz DRAIZOPVIXLYCP-UHFFFAOYSA-N -1 0 332.375 3.523 20 0 EHADRM Cc1cc(C)cc(-c2cccc(S(=O)(=O)CCCC(=O)[O-])c2)c1 ZINC000573699741 1037726886 /nfs/dbraw/zinc/72/68/86/1037726886.db2.gz NWPVMWVVHBWASB-UHFFFAOYSA-N -1 0 332.421 3.609 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)c1ccc(Oc2ccc(F)cc2)cc1)C1CC1 ZINC000669438170 1037877328 /nfs/dbraw/zinc/87/73/28/1037877328.db2.gz FDABSKCIJOWNSN-GFCCVEGCSA-N -1 0 343.354 3.696 20 0 EHADRM COC[C@H](C)Sc1n[n-]c(=Nc2cccc(Cl)c2C)s1 ZINC000463268379 1037970673 /nfs/dbraw/zinc/97/06/73/1037970673.db2.gz UQQAWBWRBFYWRX-QMMMGPOBSA-N -1 0 329.878 3.792 20 0 EHADRM Cc1nc(C)c([C@@H](C)N(C)C(=O)/C=C\c2ccc(C(=O)[O-])cc2)s1 ZINC000492184546 1038072245 /nfs/dbraw/zinc/07/22/45/1038072245.db2.gz VBMOFMODFQFSKV-MQGYJPLLSA-N -1 0 344.436 3.691 20 0 EHADRM Cc1ccc(S(=O)(=O)C=C([O-])c2cc(F)c(C)cc2F)cc1C ZINC000492192761 1038104904 /nfs/dbraw/zinc/10/49/04/1038104904.db2.gz JDGLZTHPSZUBOO-UHFFFAOYSA-N -1 0 338.375 3.547 20 0 EHADRM COC1(c2noc(-c3ccc(Br)cc3[O-])n2)CCCC1 ZINC000228233140 1038317364 /nfs/dbraw/zinc/31/73/64/1038317364.db2.gz VHAPNAUQQKHTJN-UHFFFAOYSA-N -1 0 339.189 3.620 20 0 EHADRM Fc1ccccc1CN=c1[n-]nc(Cc2ccc3ccccc3c2)o1 ZINC000538507031 1038347061 /nfs/dbraw/zinc/34/70/61/1038347061.db2.gz YNLHTBKMOPYGAP-UHFFFAOYSA-N -1 0 333.366 3.987 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCc1c[nH]c2ccccc12)C1CCCCC1 ZINC000538504784 1038347357 /nfs/dbraw/zinc/34/73/57/1038347357.db2.gz PVFVJJLTVVAPOU-GOSISDBHSA-N -1 0 342.439 3.640 20 0 EHADRM Fc1cccc(Cc2n[n-]c(=NCc3ccc(F)c(F)c3)s2)c1 ZINC000538508033 1038349398 /nfs/dbraw/zinc/34/93/98/1038349398.db2.gz RPSXVCDCJHCXBO-UHFFFAOYSA-N -1 0 335.354 3.580 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)c1 ZINC000538577929 1038401976 /nfs/dbraw/zinc/40/19/76/1038401976.db2.gz ZVVPWVZSDBJNAA-MOPGFXCFSA-N -1 0 337.419 3.770 20 0 EHADRM Fc1ccc(Cc2n[n-]c(=NCc3csc(C4CC4)n3)s2)cc1 ZINC000538593119 1038405481 /nfs/dbraw/zinc/40/54/81/1038405481.db2.gz YJNWKYDXIQZREL-UHFFFAOYSA-N -1 0 346.456 3.636 20 0 EHADRM CC(C)Cc1n[n-]c(=NCc2c[nH]nc2-c2cccc(Cl)c2)s1 ZINC000538608976 1038435770 /nfs/dbraw/zinc/43/57/70/1038435770.db2.gz ORZYINRKLGDRSE-UHFFFAOYSA-N -1 0 347.875 3.814 20 0 EHADRM CCCc1nc(=NCc2cccc(NC(=O)[C@@H](C)CC)c2)s[n-]1 ZINC000461779408 1038605999 /nfs/dbraw/zinc/60/59/99/1038605999.db2.gz UXYARWJCZJJISE-LBPRGKRZSA-N -1 0 332.473 3.509 20 0 EHADRM CCCc1nc(=NC[C@H]2CCCO[C@@H]2c2ccc(C)cc2)s[n-]1 ZINC000461938589 1038686848 /nfs/dbraw/zinc/68/68/48/1038686848.db2.gz YZPFEIXTCGFZRZ-NVXWUHKLSA-N -1 0 331.485 3.801 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3C)[nH]n2)sc1C ZINC000539111036 1038702005 /nfs/dbraw/zinc/70/20/05/1038702005.db2.gz XUWMTCLJESGZPB-UHFFFAOYSA-N -1 0 347.465 3.864 20 0 EHADRM Fc1ccc(F)c2c1OCC[C@H]2N=c1[n-]nc(-c2ccccc2)s1 ZINC000461997403 1038709411 /nfs/dbraw/zinc/70/94/11/1038709411.db2.gz URCCDEKWXASDGQ-CYBMUJFWSA-N -1 0 345.374 3.841 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000431882246 1038723842 /nfs/dbraw/zinc/72/38/42/1038723842.db2.gz LFIPJHIZVNTMFE-QGZVFWFLSA-N -1 0 331.456 3.653 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000431884207 1038738310 /nfs/dbraw/zinc/73/83/10/1038738310.db2.gz PFERAWAPNORBQA-INIZCTEOSA-N -1 0 331.456 3.797 20 0 EHADRM CC[C@](C)(NS(=O)(=O)c1csc2ccccc21)C(F)(F)F ZINC000552033999 1038749989 /nfs/dbraw/zinc/74/99/89/1038749989.db2.gz FALOWQZHKZXMHV-LBPRGKRZSA-N -1 0 337.388 3.911 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)c2ccc3oc(=O)nc-3[n-]2)c1 ZINC000667224580 1038760248 /nfs/dbraw/zinc/76/02/48/1038760248.db2.gz NDUKJQQIRXPVTI-UHFFFAOYSA-N -1 0 341.367 3.606 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)c1 ZINC000910261294 1038782291 /nfs/dbraw/zinc/78/22/91/1038782291.db2.gz VJJDGRWWXXEOME-STXHMFSFSA-N -1 0 347.455 3.538 20 0 EHADRM C/C(=C/c1ccccc1)CN(C)C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000910242523 1038784847 /nfs/dbraw/zinc/78/48/47/1038784847.db2.gz TVRJMQNVTLIIFL-QINSGFPZSA-N -1 0 327.424 3.583 20 0 EHADRM Cc1cc(CNC(=O)CCCc2ccccc2Cl)oc1C(=O)[O-] ZINC000910303200 1038816093 /nfs/dbraw/zinc/81/60/93/1038816093.db2.gz VBEVRJMNDFWZFN-UHFFFAOYSA-N -1 0 335.787 3.579 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1c1ncnc2scc(-c3cccs3)c21 ZINC000910317977 1038824968 /nfs/dbraw/zinc/82/49/68/1038824968.db2.gz YQGZOVYLSCALFC-NXEZZACHSA-N -1 0 345.449 3.719 20 0 EHADRM CCC[C@@H](C)CC(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000236854399 1038865764 /nfs/dbraw/zinc/86/57/64/1038865764.db2.gz TWUARUWYVZMBMA-QMTHXVAHSA-N -1 0 329.799 3.937 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000485287154 1038868258 /nfs/dbraw/zinc/86/82/58/1038868258.db2.gz SEEBLYQVXRNHSE-UHFFFAOYSA-N -1 0 329.780 3.679 20 0 EHADRM CCC(CC)CN(CC)C(=O)c1nn(-c2cc(C)ccc2F)cc1[O-] ZINC000539382558 1038876057 /nfs/dbraw/zinc/87/60/57/1038876057.db2.gz KYJHGHYTZIEWKI-UHFFFAOYSA-N -1 0 347.434 3.924 20 0 EHADRM [O-]c1cnc(Cl)cc1-c1nc(-c2cccc(F)c2Cl)no1 ZINC001213940095 1038881609 /nfs/dbraw/zinc/88/16/09/1038881609.db2.gz NIKADADJUPNDHZ-UHFFFAOYSA-N -1 0 326.114 3.950 20 0 EHADRM Cc1coc(-c2ccc(C(=O)N3CCC[C@@H](C(=O)[O-])C3)c(C)c2)c1 ZINC000569989359 1038886648 /nfs/dbraw/zinc/88/66/48/1038886648.db2.gz XCYPJOMVRUGYCH-OAHLLOKOSA-N -1 0 327.380 3.500 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N[C@H](C)c3cncs3)c12 ZINC000910388960 1038893445 /nfs/dbraw/zinc/89/34/45/1038893445.db2.gz OSAHCGXUROLXCV-SSDOTTSWSA-N -1 0 334.426 3.636 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNc1nnc(C2CC2)s1 ZINC000910416270 1038901543 /nfs/dbraw/zinc/90/15/43/1038901543.db2.gz JBCHXKSLDYNLHF-UHFFFAOYSA-N -1 0 331.422 3.941 20 0 EHADRM Cc1ccc2c(C)cc(N[C@H]3CCOC4(CC(C(=O)[O-])C4)C3)nc2c1 ZINC000910488329 1038938090 /nfs/dbraw/zinc/93/80/90/1038938090.db2.gz QIOUVUJYCBSCAZ-CHWWFWEZSA-N -1 0 340.423 3.676 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCCSC[C@@H]1c1ccccc1 ZINC000910517918 1038943728 /nfs/dbraw/zinc/94/37/28/1038943728.db2.gz XOTNQTSFEBASJM-OAHLLOKOSA-N -1 0 335.469 3.584 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC000910496426 1038945137 /nfs/dbraw/zinc/94/51/37/1038945137.db2.gz DZOGUSIVUWNOFM-HNNXBMFYSA-N -1 0 337.419 3.772 20 0 EHADRM CCc1oc2ccccc2c1CN=c1[n-]nc(-c2ccccn2)s1 ZINC000432735780 1038959608 /nfs/dbraw/zinc/95/96/08/1038959608.db2.gz OVHIYKGONHVYML-UHFFFAOYSA-N -1 0 336.420 3.943 20 0 EHADRM CN(C(=O)N=c1[n-]nc(C(F)F)s1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000416766097 1038985967 /nfs/dbraw/zinc/98/59/67/1038985967.db2.gz DDHJHBCSFLCECX-IUCAKERBSA-N -1 0 332.420 3.576 20 0 EHADRM CCCCn1ncc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)c1C ZINC000485391524 1038993219 /nfs/dbraw/zinc/99/32/19/1038993219.db2.gz QUTWXDNQLOWWFR-UHFFFAOYSA-N -1 0 339.436 3.548 20 0 EHADRM CCCCn1ncc(NC(=O)c2cccc(C(=O)[O-])c2)c1C(C)C ZINC000910654847 1039006159 /nfs/dbraw/zinc/00/61/59/1039006159.db2.gz CRLQHNMWGHJPFT-UHFFFAOYSA-N -1 0 329.400 3.757 20 0 EHADRM Cc1cc(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)nn1C1CCCCC1 ZINC000910659785 1039007768 /nfs/dbraw/zinc/00/77/68/1039007768.db2.gz AKOZIBIVTVJPGD-CSKARUKUSA-N -1 0 343.383 3.640 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)C(=O)Nc1ncc(CC(=O)[O-])s1 ZINC000910671184 1039011785 /nfs/dbraw/zinc/01/17/85/1039011785.db2.gz XCEXETQQXDONSU-SFHVURJKSA-N -1 0 346.452 3.614 20 0 EHADRM CCC[C@H]1[C@H](C)CCCN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000479996399 1039011867 /nfs/dbraw/zinc/01/18/67/1039011867.db2.gz SBNZBTTVISZNEL-ZBFHGGJFSA-N -1 0 327.428 3.619 20 0 EHADRM O=C([O-])COc1ccc(NCc2ccccc2N2CCCCC2)cc1 ZINC000905713906 1039046441 /nfs/dbraw/zinc/04/64/41/1039046441.db2.gz LISCOHUMHHCKRD-UHFFFAOYSA-N -1 0 340.423 3.752 20 0 EHADRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C1(C2CCCCC2)CC1 ZINC000905744258 1039081441 /nfs/dbraw/zinc/08/14/41/1039081441.db2.gz DPKATSSYKJONKZ-UHFFFAOYSA-N -1 0 345.468 3.716 20 0 EHADRM Cc1sc(NC(=O)c2ccccc2COC(C)(C)C)nc1C(=O)[O-] ZINC000910781637 1039087902 /nfs/dbraw/zinc/08/79/02/1039087902.db2.gz ZDOXMAZHHSEHGQ-UHFFFAOYSA-N -1 0 348.424 3.717 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)cc1 ZINC000570121970 1039104805 /nfs/dbraw/zinc/10/48/05/1039104805.db2.gz ROCGFEGXNKOIPJ-OAHLLOKOSA-N -1 0 343.370 3.718 20 0 EHADRM C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000910936877 1039144161 /nfs/dbraw/zinc/14/41/61/1039144161.db2.gz ZQYWZXAZHDANIF-JSGCOSHPSA-N -1 0 329.421 3.855 20 0 EHADRM CC(C)[C@H](C)C(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC000910958824 1039158149 /nfs/dbraw/zinc/15/81/49/1039158149.db2.gz WLGBDTOCKPKXIS-ZDUSSCGKSA-N -1 0 342.439 3.864 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1C[C@@H]1c1ccccc1OC ZINC000910961499 1039160290 /nfs/dbraw/zinc/16/02/90/1039160290.db2.gz VBSGMEJQDRGSGK-CVEARBPZSA-N -1 0 339.391 3.698 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1OC ZINC000910961501 1039160824 /nfs/dbraw/zinc/16/08/24/1039160824.db2.gz VBSGMEJQDRGSGK-HZPDHXFCSA-N -1 0 339.391 3.698 20 0 EHADRM O=C([O-])C1(C(F)(F)F)CCN(C(=O)CC2CCCCCC2)CC1 ZINC000911018634 1039187298 /nfs/dbraw/zinc/18/72/98/1039187298.db2.gz VLLZWDPPXJXGOZ-UHFFFAOYSA-N -1 0 335.366 3.603 20 0 EHADRM FC(F)(F)c1n[n-]c(=NCCCCCOC2CCCCC2)s1 ZINC000480118482 1039187135 /nfs/dbraw/zinc/18/71/35/1039187135.db2.gz MHERPRZQZXIUCW-UHFFFAOYSA-N -1 0 337.411 3.910 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C1 ZINC000911136944 1039251401 /nfs/dbraw/zinc/25/14/01/1039251401.db2.gz YHJGFAWKKXHLQO-QWHCGFSZSA-N -1 0 345.395 3.558 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000236834979 1039265188 /nfs/dbraw/zinc/26/51/88/1039265188.db2.gz QRYLLBUZKGHKQI-GHMZBOCLSA-N -1 0 344.238 3.857 20 0 EHADRM C[C@H]1c2ccsc2CCN1C(=O)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000324202442 1039271051 /nfs/dbraw/zinc/27/10/51/1039271051.db2.gz SXKMEUMNKLSKMP-DJJJIMSYSA-N -1 0 343.448 3.626 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)Nc2cccc(N3CCCCC3)c2)o1 ZINC000911247494 1039296621 /nfs/dbraw/zinc/29/66/21/1039296621.db2.gz GZNGUXBTKOTUMN-NTMALXAHSA-N -1 0 340.379 3.620 20 0 EHADRM CC(C)(CCC(=O)[O-])C(=O)N1CCc2c(Cl)c(Cl)ccc2C1 ZINC000911334872 1039325448 /nfs/dbraw/zinc/32/54/48/1039325448.db2.gz LPNLUHUATCUVGW-UHFFFAOYSA-N -1 0 344.238 3.769 20 0 EHADRM CCCCn1ncc([N-]S(=O)(=O)c2ccccc2C)c1C(C)C ZINC000480226397 1039325810 /nfs/dbraw/zinc/32/58/10/1039325810.db2.gz LIYULMCGIXHDDQ-UHFFFAOYSA-N -1 0 335.473 3.916 20 0 EHADRM Cc1ncc(Nc2cc(F)c(F)c(C(=O)[O-])c2)cc1Br ZINC001215458177 1039326663 /nfs/dbraw/zinc/32/66/63/1039326663.db2.gz YMMDOWGXCIETLA-UHFFFAOYSA-N -1 0 343.127 3.873 20 0 EHADRM CCSc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2F)c1 ZINC000480228849 1039328296 /nfs/dbraw/zinc/32/82/96/1039328296.db2.gz TZFSMSDOJLYWRH-UHFFFAOYSA-N -1 0 341.429 3.747 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)NCc1ccc(Cl)s1 ZINC000318866584 1039331355 /nfs/dbraw/zinc/33/13/55/1039331355.db2.gz JKYGNVMCNPPYDY-LBPRGKRZSA-N -1 0 344.864 3.624 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1 ZINC000911390819 1039342514 /nfs/dbraw/zinc/34/25/14/1039342514.db2.gz UEIVESDMEJNXMJ-UHFFFAOYSA-N -1 0 343.423 3.889 20 0 EHADRM CC(C)(C)n1cc([N-]S(=O)(=O)c2cccc3ccccc32)cn1 ZINC000439566783 1039351119 /nfs/dbraw/zinc/35/11/19/1039351119.db2.gz GLIRXOJEZGBUII-UHFFFAOYSA-N -1 0 329.425 3.592 20 0 EHADRM CC(C)CN(Cc1ccccc1F)C(=O)N=c1cc2ccccn2[nH]1 ZINC000554442241 1039351974 /nfs/dbraw/zinc/35/19/74/1039351974.db2.gz RUOVRYZRLSGHDB-UHFFFAOYSA-N -1 0 340.402 3.585 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2c(C)nsc2NC2CC2)c1 ZINC000552555446 1039369850 /nfs/dbraw/zinc/36/98/50/1039369850.db2.gz WCHZGTJAOCOZLD-UHFFFAOYSA-N -1 0 345.424 3.576 20 0 EHADRM CC1CCN(c2cccc(NC(=O)C(C)(C)CCC(=O)[O-])c2)CC1 ZINC000911424035 1039371601 /nfs/dbraw/zinc/37/16/01/1039371601.db2.gz OGTFTUYLCSTAOO-UHFFFAOYSA-N -1 0 332.444 3.752 20 0 EHADRM C[C@@H](Nc1ccccc1NC(=O)[C@@H](C)CC(=O)[O-])c1ccccc1 ZINC000911558988 1039412211 /nfs/dbraw/zinc/41/22/11/1039412211.db2.gz TZJJTXACWJJQTD-UONOGXRCSA-N -1 0 326.396 3.909 20 0 EHADRM CO[C@@H](C(=O)[O-])c1ccc(-c2ccc(O[C@@H]3CCOC3)c(C)c2)s1 ZINC000906240785 1039425929 /nfs/dbraw/zinc/42/59/29/1039425929.db2.gz FNEKVSSJASTYQU-CXAGYDPISA-N -1 0 348.420 3.663 20 0 EHADRM CC(C)(CCC(=O)[O-])C(=O)N[C@@H](CCc1ccccc1)C(F)(F)F ZINC000911664925 1039444972 /nfs/dbraw/zinc/44/49/72/1039444972.db2.gz NPRYSDYGLACMSH-ZDUSSCGKSA-N -1 0 345.361 3.557 20 0 EHADRM C[C@H](O)CCCN=c1[n-]nc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000432827128 1039470499 /nfs/dbraw/zinc/47/04/99/1039470499.db2.gz BVUJCZPGXJRJHA-QMMMGPOBSA-N -1 0 332.256 3.507 20 0 EHADRM O=C([O-])CC1(CC(=O)NCCCc2cccc(Cl)c2)CCCC1 ZINC000478469051 1039477284 /nfs/dbraw/zinc/47/72/84/1039477284.db2.gz KUJPWSUKAXYXAB-UHFFFAOYSA-N -1 0 337.847 3.814 20 0 EHADRM CC(C)Oc1c(NC(=O)CO[C@H]2CCCC[C@@H]2C)cccc1C(=O)[O-] ZINC000911738786 1039481940 /nfs/dbraw/zinc/48/19/40/1039481940.db2.gz HXBTZUOGPUODAW-BBRMVZONSA-N -1 0 349.427 3.706 20 0 EHADRM O=C([O-])CCCCCNC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000238148209 1039500825 /nfs/dbraw/zinc/50/08/25/1039500825.db2.gz GRSXYOVTPVSBRU-UONOGXRCSA-N -1 0 343.345 3.570 20 0 EHADRM CC(C)(C)OC1CC(CCN=c2[n-]nc(Cc3ccccc3)s2)C1 ZINC000432845091 1039538547 /nfs/dbraw/zinc/53/85/47/1039538547.db2.gz BQPILMQSNMMJQU-UHFFFAOYSA-N -1 0 345.512 3.947 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cnc(C(C)C)nc2)cc1 ZINC000478677806 1039613822 /nfs/dbraw/zinc/61/38/22/1039613822.db2.gz NWXZNBNTBVBFSX-ZDUSSCGKSA-N -1 0 333.457 3.914 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cnc(C(C)C)nc2)c1C ZINC000478702452 1039641558 /nfs/dbraw/zinc/64/15/58/1039641558.db2.gz VDMPBIRGRCCEOI-UHFFFAOYSA-N -1 0 333.457 3.634 20 0 EHADRM CC[C@@H]1[C@@H](C)CCN1C(=O)N=c1[n-]nc(Cc2ccc(C)cc2)s1 ZINC000480550391 1039674682 /nfs/dbraw/zinc/67/46/82/1039674682.db2.gz DZLGYYKKNSBZEH-DZGCQCFKSA-N -1 0 344.484 3.512 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000912107074 1039690538 /nfs/dbraw/zinc/69/05/38/1039690538.db2.gz GDMAAWNVAZSQHJ-IRXDYDNUSA-N -1 0 345.826 3.774 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)cc1 ZINC000485932092 1039701358 /nfs/dbraw/zinc/70/13/58/1039701358.db2.gz MHDCCGKQXFPEGE-UHFFFAOYSA-N -1 0 339.391 3.912 20 0 EHADRM Cc1cc(NC(=O)c2sccc2OC(F)F)cc(C(=O)[O-])c1C ZINC000485933634 1039701610 /nfs/dbraw/zinc/70/16/10/1039701610.db2.gz NYRKDOXTUOOAIT-UHFFFAOYSA-N -1 0 341.335 3.917 20 0 EHADRM Cc1cccc(CO[N-]C(=O)[C@H](c2cccnc2)C2CCCCC2)n1 ZINC000898931144 1039734336 /nfs/dbraw/zinc/73/43/36/1039734336.db2.gz OANXFDDVOLIZQF-IBGZPJMESA-N -1 0 339.439 3.697 20 0 EHADRM O=C([O-])c1nc(/C=C\c2ccc(F)cc2)sc1Br ZINC000486031145 1039785321 /nfs/dbraw/zinc/78/53/21/1039785321.db2.gz RSFROPBHOIITOX-UTCJRWHESA-N -1 0 328.162 3.913 20 0 EHADRM CC(C)C[C@H]1CCCN1C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000667712953 1039785789 /nfs/dbraw/zinc/78/57/89/1039785789.db2.gz UDGSODWWMBTAJK-CYBMUJFWSA-N -1 0 349.381 3.507 20 0 EHADRM CCCc1nc(C)c([N-]S(=O)(=O)c2c(F)cccc2Cl)s1 ZINC000486131006 1039896447 /nfs/dbraw/zinc/89/64/47/1039896447.db2.gz SQBHZYRSDBGKMF-UHFFFAOYSA-N -1 0 348.852 3.997 20 0 EHADRM Cc1cc2n[nH]cc2cc1NS(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000479110278 1039955817 /nfs/dbraw/zinc/95/58/17/1039955817.db2.gz RZEYEINSDWGWER-UHFFFAOYSA-N -1 0 343.452 3.906 20 0 EHADRM CCCc1nc(=NC(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)s[n-]1 ZINC000554938965 1039978755 /nfs/dbraw/zinc/97/87/55/1039978755.db2.gz LTIFAIHRTFBKIM-OCCSQVGLSA-N -1 0 348.447 3.509 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)c2cccn2C(C)C)s1 ZINC000473415850 1039981703 /nfs/dbraw/zinc/98/17/03/1039981703.db2.gz QLMUTFQEAHNESV-UHFFFAOYSA-N -1 0 344.415 3.709 20 0 EHADRM Cc1nc(CNCc2cnc(C3CCCC3)s2)sc1C(=O)[O-] ZINC000417549536 1039989563 /nfs/dbraw/zinc/98/95/63/1039989563.db2.gz TUBUAPNMMJFBOT-UHFFFAOYSA-N -1 0 337.470 3.554 20 0 EHADRM Cc1cccc([C@@H](NCc2ncc(C(F)(F)F)s2)C(=O)[O-])c1C ZINC000417572417 1040009250 /nfs/dbraw/zinc/00/92/50/1040009250.db2.gz YYQBYFAIBQFJPM-CYBMUJFWSA-N -1 0 344.358 3.694 20 0 EHADRM Cc1cc(C)cc([C@H](NCc2cnc([C@H]3CCCO3)s2)C(=O)[O-])c1 ZINC000417564669 1040014001 /nfs/dbraw/zinc/01/40/01/1040014001.db2.gz OSZRDWSFWDJSQG-CVEARBPZSA-N -1 0 346.452 3.527 20 0 EHADRM O=C([O-])[C@@H](NCc1csc(C2CC2)n1)c1ccc(Cl)c(F)c1 ZINC000417566319 1040015417 /nfs/dbraw/zinc/01/54/17/1040015417.db2.gz RDKLELPMXKAPGE-ZDUSSCGKSA-N -1 0 340.807 3.729 20 0 EHADRM COCc1ccc(CNc2cc(C(=O)[O-])ccc2OC(C)C)cc1 ZINC000417566493 1040016486 /nfs/dbraw/zinc/01/64/86/1040016486.db2.gz MKXGGGREHSFCHL-UHFFFAOYSA-N -1 0 329.396 3.931 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NCc2cnc(-c3ccco3)s2)o1 ZINC000417576915 1040039409 /nfs/dbraw/zinc/03/94/09/1040039409.db2.gz VRCCXBFJCIQNFP-LBPRGKRZSA-N -1 0 332.381 3.610 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NCc2ncc(C(C)C)s2)c1 ZINC000417593432 1040047576 /nfs/dbraw/zinc/04/75/76/1040047576.db2.gz ZVCIHMIKNHWUPS-AWEZNQCLSA-N -1 0 334.441 3.581 20 0 EHADRM C[C@H](CCc1ccco1)[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000553437738 1040060859 /nfs/dbraw/zinc/06/08/59/1040060859.db2.gz GALRRNCAWRYXAV-SECBINFHSA-N -1 0 349.786 3.511 20 0 EHADRM CC[C@H](Cc1ccc(NCc2cn(C)nc2C(C)(C)C)cc1)C(=O)[O-] ZINC000417612706 1040080164 /nfs/dbraw/zinc/08/01/64/1040080164.db2.gz ROOTWCXVQCCATA-OAHLLOKOSA-N -1 0 343.471 3.983 20 0 EHADRM COc1cc(CNc2ccc(C[C@H](C)C(=O)[O-])cc2)cc(OC)c1 ZINC000417613969 1040083775 /nfs/dbraw/zinc/08/37/75/1040083775.db2.gz UTTORJCRZULCMA-ZDUSSCGKSA-N -1 0 329.396 3.579 20 0 EHADRM CCCc1ccccc1C(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000907628213 1040110374 /nfs/dbraw/zinc/11/03/74/1040110374.db2.gz JQUKJRVHPHKENL-LLVKDONJSA-N -1 0 332.425 3.593 20 0 EHADRM Cc1ccc(-c2nc(CN=c3nc(C(F)(F)F)[n-]s3)co2)cc1 ZINC000553484341 1040116562 /nfs/dbraw/zinc/11/65/62/1040116562.db2.gz NDLOSUBETIZFMM-UHFFFAOYSA-N -1 0 340.330 3.554 20 0 EHADRM O=C([N-]OCCCC(F)(F)F)[C@@H](c1ccncc1)C1CCCC1 ZINC000899173189 1040124392 /nfs/dbraw/zinc/12/43/92/1040124392.db2.gz LQGGGRQAJMXCKL-CQSZACIVSA-N -1 0 330.350 3.746 20 0 EHADRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)CCC1(C)CC1 ZINC000907738951 1040140292 /nfs/dbraw/zinc/14/02/92/1040140292.db2.gz QWQDFQZCZVCAMV-UHFFFAOYSA-N -1 0 340.217 3.975 20 0 EHADRM O=c1nc(Cc2cscn2)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000614112919 1040147461 /nfs/dbraw/zinc/14/74/61/1040147461.db2.gz XHEOMIBSRCKJCB-UHFFFAOYSA-N -1 0 343.408 3.838 20 0 EHADRM CC[C@@H](CC(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC000236924068 1040187627 /nfs/dbraw/zinc/18/76/27/1040187627.db2.gz OTZGIEHYIYLNFS-PKOBYXMFSA-N -1 0 339.435 3.630 20 0 EHADRM CCOc1ccc(SCC(=O)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC000324792010 1040197716 /nfs/dbraw/zinc/19/77/16/1040197716.db2.gz LZMQOOOEGOULHL-UHFFFAOYSA-N -1 0 345.420 3.823 20 0 EHADRM OC1(CCN=c2[n-]nc(-c3cc(Cl)cc(Cl)c3)s2)CCC1 ZINC000553595370 1040208232 /nfs/dbraw/zinc/20/82/32/1040208232.db2.gz YQRDGSRQUQCFAT-UHFFFAOYSA-N -1 0 344.267 3.651 20 0 EHADRM Cc1cccc([C@H](NC(=O)NCCCCCC(=O)[O-])C(F)(F)F)c1 ZINC000417770092 1040224420 /nfs/dbraw/zinc/22/44/20/1040224420.db2.gz GRESHXLEYNJWJR-AWEZNQCLSA-N -1 0 346.349 3.543 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000417770847 1040226137 /nfs/dbraw/zinc/22/61/37/1040226137.db2.gz WNRRPLSPIAZPRZ-UHFFFAOYSA-N -1 0 332.322 3.510 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)c2cc(Cl)ccc2OC)n1 ZINC000486557123 1040241104 /nfs/dbraw/zinc/24/11/04/1040241104.db2.gz GAEGKFIYTJTYIL-UHFFFAOYSA-N -1 0 346.861 3.558 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nc3cc(F)ccc3[nH]2)sc1Cl ZINC000486558341 1040242873 /nfs/dbraw/zinc/24/28/73/1040242873.db2.gz GCMNCNNVOACQJU-UHFFFAOYSA-N -1 0 345.808 3.526 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@H]23)cc1 ZINC000907951546 1040244967 /nfs/dbraw/zinc/24/49/67/1040244967.db2.gz GQYZZGKHFRSQKN-AUEKSGIPSA-N -1 0 343.467 3.604 20 0 EHADRM CC(C)CCCNc1cccc(S(=O)(=O)[N-]c2nccs2)c1 ZINC000512609211 1040256898 /nfs/dbraw/zinc/25/68/98/1040256898.db2.gz GQYAFPBJKPCQAJ-UHFFFAOYSA-N -1 0 339.486 3.792 20 0 EHADRM Cc1ccc(CCCC(=O)N(C)c2cccc(CC(=O)[O-])c2)s1 ZINC000908079840 1040289151 /nfs/dbraw/zinc/28/91/51/1040289151.db2.gz ISNPYZDFLYJMNP-UHFFFAOYSA-N -1 0 331.437 3.669 20 0 EHADRM CN(C(=O)CC(C)(C)c1ccc(F)cc1)c1cccc(CC(=O)[O-])c1 ZINC000908078460 1040289308 /nfs/dbraw/zinc/28/93/08/1040289308.db2.gz BLTPZRBWYSTSLV-UHFFFAOYSA-N -1 0 343.398 3.784 20 0 EHADRM Cn1cc(C(=O)Nc2cc(Cl)c([O-])cc2F)c(C2CCCC2)n1 ZINC000908187442 1040343317 /nfs/dbraw/zinc/34/33/17/1040343317.db2.gz DNHUNMNRMKEWDA-UHFFFAOYSA-N -1 0 337.782 3.828 20 0 EHADRM O=S(=O)([N-]c1cccc(F)c1)c1cc(F)ccc1Br ZINC000152135178 1040347449 /nfs/dbraw/zinc/34/74/49/1040347449.db2.gz NBCPYJAQGNMQFC-UHFFFAOYSA-N -1 0 348.168 3.528 20 0 EHADRM CCCc1cc(C(=O)Nc2ccc(OCC(=O)[O-])cc2)sc1C ZINC000261703357 1040353340 /nfs/dbraw/zinc/35/33/40/1040353340.db2.gz KELHSSBZIDJHEW-UHFFFAOYSA-N -1 0 333.409 3.725 20 0 EHADRM CCC(C)(C)NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000490119693 1040362103 /nfs/dbraw/zinc/36/21/03/1040362103.db2.gz WRFIBFHVCBKADS-UHFFFAOYSA-N -1 0 341.333 3.515 20 0 EHADRM O=c1c(C(F)(F)F)c(C2CC2)[n-]n1Cc1cccc2cccnc21 ZINC000899348054 1040365871 /nfs/dbraw/zinc/36/58/71/1040365871.db2.gz NROSMEZEBRKJFQ-ZDUSSCGKSA-N -1 0 333.313 3.522 20 0 EHADRM O=c1c(C(F)(F)F)c(C2CC2)[n-]n1-c1nccc2sccc21 ZINC000899348708 1040367062 /nfs/dbraw/zinc/36/70/62/1040367062.db2.gz HZPDEHNXPHVIMB-JTQLQIEISA-N -1 0 325.315 3.587 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)C1CCC(C(F)(F)F)CC1)CC1CCCC1 ZINC000908293161 1040391125 /nfs/dbraw/zinc/39/11/25/1040391125.db2.gz RYXRTIHOPDQYGM-ROKHWSDSSA-N -1 0 349.393 3.752 20 0 EHADRM COCc1ccccc1S(=O)(=O)[N-]c1cccc(C(C)(C)C)c1O ZINC000479575750 1040399034 /nfs/dbraw/zinc/39/90/34/1040399034.db2.gz RTUPJJHCOMZDOR-UHFFFAOYSA-N -1 0 349.452 3.637 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908338275 1040400211 /nfs/dbraw/zinc/40/02/11/1040400211.db2.gz IAQXWGJBDFDSTA-HNNXBMFYSA-N -1 0 349.446 3.936 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908337251 1040400470 /nfs/dbraw/zinc/40/04/70/1040400470.db2.gz ABIGCZPSZMFQEJ-KGLIPLIRSA-N -1 0 335.469 3.701 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908339834 1040401799 /nfs/dbraw/zinc/40/17/99/1040401799.db2.gz UBCVRYMVSMNSBD-INIZCTEOSA-N -1 0 339.476 3.656 20 0 EHADRM CCCc1cc(=O)[nH]c(C(=Cc2ccc(C)c(C(=O)[O-])c2)CC)n1 ZINC000899371989 1040410372 /nfs/dbraw/zinc/41/03/72/1040410372.db2.gz LYFXTHWIUGFFRV-NTEUORMPSA-N -1 0 326.396 3.680 20 0 EHADRM CC(C)(C)OC1CC(CC(=O)NCCCCC2(C(=O)[O-])CCC2)C1 ZINC000908327216 1040410789 /nfs/dbraw/zinc/41/07/89/1040410789.db2.gz BFNIAQSPZVQYBG-UHFFFAOYSA-N -1 0 339.476 3.512 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N(C)C2CCCCC2)s1 ZINC000555331083 1040418842 /nfs/dbraw/zinc/41/88/42/1040418842.db2.gz MYQZOCGLFRYWGK-UHFFFAOYSA-N -1 0 348.447 3.871 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)/C=C/c2ccsc2C(F)(F)F)C1 ZINC000908376155 1040420138 /nfs/dbraw/zinc/42/01/38/1040420138.db2.gz MRHMJNLECYZFRZ-PKWPUFSASA-N -1 0 347.358 3.540 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)C2(c3ccc(Cl)cc3)CC2)CCC1 ZINC000908356242 1040428466 /nfs/dbraw/zinc/42/84/66/1040428466.db2.gz WTKQKTLKMWRLFW-UHFFFAOYSA-N -1 0 349.858 3.913 20 0 EHADRM CCCCN(C(=O)c1ccc2oc(=O)nc-2[n-]1)[C@@H](C)c1ccc(C)o1 ZINC000667527367 1040451572 /nfs/dbraw/zinc/45/15/72/1040451572.db2.gz JEOYFFWMVPQRLY-LBPRGKRZSA-N -1 0 343.383 3.833 20 0 EHADRM O=C(N=c1[n-]nc(/C=C\c2ccco2)s1)NC1CCCCCC1 ZINC000486856810 1040503241 /nfs/dbraw/zinc/50/32/41/1040503241.db2.gz YJGJFCGYPISXNC-KTKRTIGZSA-N -1 0 332.429 3.568 20 0 EHADRM CCC[C@@]1(C(=O)[O-])CCCN1C(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000908620068 1040548346 /nfs/dbraw/zinc/54/83/46/1040548346.db2.gz DCJQIHRZFVXTIB-ACJLOTCBSA-N -1 0 334.416 3.645 20 0 EHADRM CC(C)c1csc(NC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)n1 ZINC000908646873 1040553162 /nfs/dbraw/zinc/55/31/62/1040553162.db2.gz RIWIYBYVGODDDM-ZDUSSCGKSA-N -1 0 333.413 3.556 20 0 EHADRM CCc1oc(C(=O)N[C@H](C)c2ccccc2OC(C)C)cc1C(=O)[O-] ZINC000555424563 1040569086 /nfs/dbraw/zinc/56/90/86/1040569086.db2.gz KKBJGYLTOGGFHA-GFCCVEGCSA-N -1 0 345.395 3.818 20 0 EHADRM Cc1cc(C)cc(Oc2ccc(NC(=O)c3c[n-]ncc3=O)cc2)c1 ZINC001626319184 1040601908 /nfs/dbraw/zinc/60/19/08/1040601908.db2.gz XHAGAZFVANTXSZ-UHFFFAOYSA-N -1 0 335.363 3.844 20 0 EHADRM CCC(CC)CN(CC)C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC000908729194 1040612525 /nfs/dbraw/zinc/61/25/25/1040612525.db2.gz IEFHJHRAWRCIQW-UHFFFAOYSA-N -1 0 330.428 3.693 20 0 EHADRM CC(C)c1n[n-]c(=NCc2c(F)cccc2Br)s1 ZINC000479785187 1040621044 /nfs/dbraw/zinc/62/10/44/1040621044.db2.gz ZPHXLWXSTNNCLI-UHFFFAOYSA-N -1 0 330.226 3.597 20 0 EHADRM Clc1cc(Cl)cc(-c2n[n-]c(=N[C@@H]3CCCOC3)s2)c1 ZINC000487040204 1040668833 /nfs/dbraw/zinc/66/88/33/1040668833.db2.gz CTKGFDYAILKBOY-LLVKDONJSA-N -1 0 330.240 3.525 20 0 EHADRM Cc1c(NC(=O)CCc2ncc(C(C)(C)C)o2)cccc1C(=O)[O-] ZINC000908845069 1040676399 /nfs/dbraw/zinc/67/63/99/1040676399.db2.gz WHFOGJXNQWNVLD-UHFFFAOYSA-N -1 0 330.384 3.550 20 0 EHADRM CCCc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000512737524 1040725057 /nfs/dbraw/zinc/72/50/57/1040725057.db2.gz FJVNRTOBQDLCQY-UHFFFAOYSA-N -1 0 347.436 3.755 20 0 EHADRM CC[C@H]1C[C@@H](C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CCO1 ZINC000909123271 1040818586 /nfs/dbraw/zinc/81/85/86/1040818586.db2.gz SXMATEUXQIIVRT-GWCFXTLKSA-N -1 0 333.409 3.743 20 0 EHADRM CC1(C)CCC[C@H]1C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000909138342 1040840536 /nfs/dbraw/zinc/84/05/36/1040840536.db2.gz XUSUYWMHNOUUMP-HNNXBMFYSA-N -1 0 340.423 3.577 20 0 EHADRM O=C([O-])CCCCCCNC(=O)[C@@H](c1ccncc1)C1CCCC1 ZINC000909146522 1040844849 /nfs/dbraw/zinc/84/48/49/1040844849.db2.gz QGVKYBCQKFVOGM-GOSISDBHSA-N -1 0 332.444 3.507 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)NC[C@@H](C)CC(F)F ZINC000909242917 1040878929 /nfs/dbraw/zinc/87/89/29/1040878929.db2.gz ANDPCCMXRFZOTD-GXTWGEPZSA-N -1 0 342.386 3.525 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)C2(C3CC3)CCC2)c1 ZINC000909225549 1040882712 /nfs/dbraw/zinc/88/27/12/1040882712.db2.gz BWWFPRCQBYNOIA-UHFFFAOYSA-N -1 0 333.453 3.913 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1C ZINC000909288273 1040910071 /nfs/dbraw/zinc/91/00/71/1040910071.db2.gz IMFMTLPKRZGPAR-UHFFFAOYSA-N -1 0 339.391 3.812 20 0 EHADRM CCN(Cc1c[nH]c2ccccc12)C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000909730569 1040968545 /nfs/dbraw/zinc/96/85/45/1040968545.db2.gz SEEBCDKLNJXGBK-UHFFFAOYSA-N -1 0 340.423 3.552 20 0 EHADRM C[C@@H](OCc1ccc(F)cc1)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000909833375 1041031370 /nfs/dbraw/zinc/03/13/70/1041031370.db2.gz IFZYMQMLWLRAOK-CHWSQXEVSA-N -1 0 345.370 3.558 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)C[C@H]2CCC3(CCC3)CO2)c1 ZINC000909833197 1041031407 /nfs/dbraw/zinc/03/14/07/1041031407.db2.gz YFYRYPCXHVUAIX-XJKSGUPXSA-N -1 0 331.412 3.553 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)N(CC(=O)[O-])[C@H](C)c2ccccc2)cc1 ZINC000555705275 1041040837 /nfs/dbraw/zinc/04/08/37/1041040837.db2.gz GLTPWJRFBSHANS-JKSUJKDBSA-N -1 0 340.423 3.913 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)NCc1ccccc1C ZINC000555723558 1041044339 /nfs/dbraw/zinc/04/43/39/1041044339.db2.gz IWFUPCDBXIKRIW-SFHVURJKSA-N -1 0 340.423 3.743 20 0 EHADRM O=C(N=c1[n-]nc(-c2cccc(Cl)c2)s1)N[C@H]1C=CCCC1 ZINC000481561908 1041078948 /nfs/dbraw/zinc/07/89/48/1041078948.db2.gz ZXBXCWBDMMVPQK-LBPRGKRZSA-N -1 0 334.832 3.511 20 0 EHADRM O=C([O-])c1sc2ccsc2c1CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000652060366 1041082648 /nfs/dbraw/zinc/08/26/48/1041082648.db2.gz KUOYOUJEBMZBJY-OUAUKWLOSA-N -1 0 347.461 3.880 20 0 EHADRM COc1ccc(CCCCC(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000555743383 1041089377 /nfs/dbraw/zinc/08/93/77/1041089377.db2.gz SPIYVEIPDAHBLG-UHFFFAOYSA-N -1 0 333.409 3.806 20 0 EHADRM CC(C)CC(=O)Nc1ccc(NC(=O)[C@@H](CC(=O)[O-])CC(C)C)cc1 ZINC000899762345 1041091005 /nfs/dbraw/zinc/09/10/05/1041091005.db2.gz RKPHZZHJEJQIAE-CQSZACIVSA-N -1 0 348.443 3.747 20 0 EHADRM Cc1ccc([C@@H](CC(=O)Nc2ccccc2OC(C)C)C(=O)[O-])cc1 ZINC000899766748 1041095506 /nfs/dbraw/zinc/09/55/06/1041095506.db2.gz VQZSSGOEFOYQHG-MRXNPFEDSA-N -1 0 341.407 3.979 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2c(C)oc3ccccc32)n1 ZINC000909955363 1041095532 /nfs/dbraw/zinc/09/55/32/1041095532.db2.gz SAADKEFPXSHOBL-CYBMUJFWSA-N -1 0 341.367 3.616 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000899785416 1041121258 /nfs/dbraw/zinc/12/12/58/1041121258.db2.gz GYDCEZOJIDZGEW-AWEZNQCLSA-N -1 0 342.395 3.949 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccccc2-c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000570964574 1041127496 /nfs/dbraw/zinc/12/74/96/1041127496.db2.gz XEGZUKUKOLCECV-PBHICJAKSA-N -1 0 338.407 3.928 20 0 EHADRM CSc1cc(C)ccc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-] ZINC000899789247 1041127331 /nfs/dbraw/zinc/12/73/31/1041127331.db2.gz QSDSXRFGMBHKOT-XHUUTOEUSA-N -1 0 331.437 3.568 20 0 EHADRM C[C@H](C(=O)N[C@H]1CCC[C@@]1(C)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000909996336 1041134877 /nfs/dbraw/zinc/13/48/77/1041134877.db2.gz PXCZCYBAODPRQO-YNZJMPHRSA-N -1 0 343.345 3.569 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N(C)[C@H](C)c2cccs2)C(=O)[O-])cc1 ZINC000899800899 1041138330 /nfs/dbraw/zinc/13/83/30/1041138330.db2.gz HZFUPUOQWYJYCX-UKRRQHHQSA-N -1 0 331.437 3.834 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccn(CCC(C)C)n2)cc1Cl ZINC000481604330 1041146413 /nfs/dbraw/zinc/14/64/13/1041146413.db2.gz DOHYMMCZRHNVHX-UHFFFAOYSA-N -1 0 341.864 3.692 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N2CCC[C@@H]2c2ccccc2)C(=O)[O-])cc1 ZINC000899796338 1041148743 /nfs/dbraw/zinc/14/87/43/1041148743.db2.gz KDCZJLUNSCWIQG-RTBURBONSA-N -1 0 337.419 3.917 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@H]1CCC[C@@H]1c1ccccc1)C2 ZINC000910040268 1041160877 /nfs/dbraw/zinc/16/08/77/1041160877.db2.gz SPORNKXBIIWXHP-MOPGFXCFSA-N -1 0 335.403 3.811 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)N(C)[C@H](C)c1nc2ccccc2s1 ZINC000899817974 1041174510 /nfs/dbraw/zinc/17/45/10/1041174510.db2.gz MXIZHEZNYBFFKQ-CHWSQXEVSA-N -1 0 348.468 3.953 20 0 EHADRM O=C([O-])c1csc([C@@H]2CCCN2C(=O)C2CC3(C2)CCCCC3)n1 ZINC000910103890 1041192471 /nfs/dbraw/zinc/19/24/71/1041192471.db2.gz PDROGKYYZWRQOM-AWEZNQCLSA-N -1 0 348.468 3.865 20 0 EHADRM O=C([O-])c1csc([C@H]2CCCN2C(=O)C2CCC(C3CC3)CC2)n1 ZINC000910105239 1041193029 /nfs/dbraw/zinc/19/30/29/1041193029.db2.gz UEWTXAQCMSIUKG-SSDMNJCBSA-N -1 0 348.468 3.721 20 0 EHADRM C[C@@H]1CCCC[C@H]1CC(=O)N1CCC[C@H]1c1nc(C(=O)[O-])cs1 ZINC000910112923 1041194306 /nfs/dbraw/zinc/19/43/06/1041194306.db2.gz FUSKFDTWAOKOEW-DYEKYZERSA-N -1 0 336.457 3.721 20 0 EHADRM C[C@H]1CC(C(=O)N2CCC[C@@H]2c2nc(C(=O)[O-])cs2)C[C@H](C)C1 ZINC000910111276 1041194905 /nfs/dbraw/zinc/19/49/05/1041194905.db2.gz ZUDKQPGFCYMXKV-JTNHKYCSSA-N -1 0 336.457 3.577 20 0 EHADRM CCC(CC)(CNC(=O)[C@@H](CC(=O)[O-])CC(C)C)C(F)(F)F ZINC000899832401 1041195058 /nfs/dbraw/zinc/19/50/58/1041195058.db2.gz GEKWIHJXAYZOPR-LLVKDONJSA-N -1 0 325.371 3.608 20 0 EHADRM C[C@@H](C(=O)N[C@@H]1CCCC[C@@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000910138805 1041199553 /nfs/dbraw/zinc/19/95/53/1041199553.db2.gz MHGPRIPGHHAQLE-DDTOSNHZSA-N -1 0 343.345 3.569 20 0 EHADRM C[C@H](C(=O)[O-])N(C)C(=O)NCc1ccccc1-c1ccc(Cl)cc1 ZINC000555846181 1041232639 /nfs/dbraw/zinc/23/26/39/1041232639.db2.gz RYAKSRXASZZMGS-GFCCVEGCSA-N -1 0 346.814 3.622 20 0 EHADRM Cc1cc2occ(CC(=O)N(C)[C@H](C)CC(=O)[O-])c2cc1C(C)C ZINC000569940684 1041238983 /nfs/dbraw/zinc/23/89/83/1041238983.db2.gz CXXATDPOCPZDLH-CYBMUJFWSA-N -1 0 331.412 3.729 20 0 EHADRM COCCc1ccc(-c2cccc(C[C@@H](CCOC)C(=O)[O-])c2)cc1 ZINC000571298480 1041260844 /nfs/dbraw/zinc/26/08/44/1041260844.db2.gz DQSWTNVNYFNFEC-HXUWFJFHSA-N -1 0 342.435 3.822 20 0 EHADRM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)N=c2[n-]nc(C3CC3)s2)C1 ZINC000555884152 1041297248 /nfs/dbraw/zinc/29/72/48/1041297248.db2.gz CLVOVHMUOAUWGF-QMTHXVAHSA-N -1 0 346.431 3.592 20 0 EHADRM CCc1nc(C)c([N-]S(=O)(=O)c2ccc(C)c3ncccc23)s1 ZINC000571326572 1041345330 /nfs/dbraw/zinc/34/53/30/1041345330.db2.gz HYZHAPVYWROPGX-UHFFFAOYSA-N -1 0 347.465 3.671 20 0 EHADRM Cc1nc(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)c(-c2ccccc2)o1 ZINC000652088754 1041491736 /nfs/dbraw/zinc/49/17/36/1041491736.db2.gz BMBALYFROHIWRT-AWEZNQCLSA-N -1 0 344.411 3.517 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])s2)CCc2ccc(Cl)cc21 ZINC000652092257 1041591423 /nfs/dbraw/zinc/59/14/23/1041591423.db2.gz HJOMUXIWMMSMRJ-SNVBAGLBSA-N -1 0 349.839 3.902 20 0 EHADRM CCC(CC)(CNC(=O)NCc1cccc2ccsc21)C(=O)[O-] ZINC000652099200 1041604089 /nfs/dbraw/zinc/60/40/89/1041604089.db2.gz QRPVEPSRUSIBQN-UHFFFAOYSA-N -1 0 334.441 3.592 20 0 EHADRM CCc1cc(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)sc1C ZINC000432117050 1041611984 /nfs/dbraw/zinc/61/19/84/1041611984.db2.gz OKAQKULWXQTZJR-INIZCTEOSA-N -1 0 345.464 3.825 20 0 EHADRM CC(C)[C@H](CC(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-])c1ccccc1 ZINC000432131125 1041627033 /nfs/dbraw/zinc/62/70/33/1041627033.db2.gz RUZXDIAJHZOCFT-ABSDTBQOSA-N -1 0 331.456 3.966 20 0 EHADRM C/C(=C/C(C)(C)C)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000909340974 1041630464 /nfs/dbraw/zinc/63/04/64/1041630464.db2.gz DBGCSOZVJIORAW-CFYYFVFUSA-N -1 0 325.355 3.589 20 0 EHADRM CSc1ccccc1[N-]C(=S)NCC(F)(F)C(F)(F)F ZINC001249708905 1133029884 /nfs/dbraw/zinc/02/98/84/1133029884.db2.gz TZRQJWJVWPWSDW-UHFFFAOYSA-N -1 0 330.347 3.893 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)c1cc(C(=O)[O-])co1)CCC2 ZINC000432138388 1041639714 /nfs/dbraw/zinc/63/97/14/1041639714.db2.gz WSGOWEBVDFHOBA-MRXNPFEDSA-N -1 0 327.380 3.909 20 0 EHADRM Cc1cc(N(C)c2c(N)cccc2Br)ccc1C(=O)[O-] ZINC001211660652 1041686969 /nfs/dbraw/zinc/68/69/69/1041686969.db2.gz FTBQWSNNSVVHOZ-UHFFFAOYSA-N -1 0 335.201 3.806 20 0 EHADRM CC(C)Nc1ccc(Cl)cc1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000659167386 1041691379 /nfs/dbraw/zinc/69/13/79/1041691379.db2.gz NQVNQRSUIOIODD-HAQNSBGRSA-N -1 0 338.835 3.990 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647694717 1041713748 /nfs/dbraw/zinc/71/37/48/1041713748.db2.gz PKOCECJRENRSPC-UHFFFAOYSA-N -1 0 342.848 3.781 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)c2cc(C)n(C(C)C)c2C)sc1C(=O)[O-] ZINC000236709594 1041810334 /nfs/dbraw/zinc/81/03/34/1041810334.db2.gz CMVBAPWDGNRFGT-LLVKDONJSA-N -1 0 349.456 3.640 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](Nc2ncc(Br)c3ccsc32)C1 ZINC000662883892 1042189532 /nfs/dbraw/zinc/18/95/32/1042189532.db2.gz QNOUTILKRKZQLC-SFYZADRCSA-N -1 0 341.230 3.724 20 0 EHADRM C[C@@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1ccc(F)c(F)c1 ZINC000184187151 1042206368 /nfs/dbraw/zinc/20/63/68/1042206368.db2.gz QMXBHHSNEFSKCD-SSDOTTSWSA-N -1 0 329.705 3.954 20 0 EHADRM O=C([O-])C1(CNc2ncc(Br)c3ccsc32)CCC1 ZINC000662898617 1042213047 /nfs/dbraw/zinc/21/30/47/1042213047.db2.gz QCHMMELMYWGIEI-UHFFFAOYSA-N -1 0 341.230 3.726 20 0 EHADRM O=C(Nc1cccc(N2CCCC2=O)c1)c1cc(F)c([O-])c(Cl)c1 ZINC000184195241 1042232387 /nfs/dbraw/zinc/23/23/87/1042232387.db2.gz BLFHHDGRRDJWSN-UHFFFAOYSA-N -1 0 348.761 3.564 20 0 EHADRM CC(C)(C)[C@@H]1C[C@@H](NC(=O)CCCc2ccc(O)c(F)c2)CCO1 ZINC000468897624 1042274394 /nfs/dbraw/zinc/27/43/94/1042274394.db2.gz HRCFCCHMMKJJBE-YOEHRIQHSA-N -1 0 337.435 3.564 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000663032387 1042367942 /nfs/dbraw/zinc/36/79/42/1042367942.db2.gz CIXXPIFZVSIKEJ-IBGZPJMESA-N -1 0 330.428 3.871 20 0 EHADRM COc1ccc2oc([C@@H](C)NC(=O)[C@H](C(=O)[O-])C(C)(C)C)c(C)c2c1 ZINC000663035377 1042371097 /nfs/dbraw/zinc/37/10/97/1042371097.db2.gz MAGSRSGSMVPPLC-IAQYHMDHSA-N -1 0 347.411 3.674 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000663044666 1042389191 /nfs/dbraw/zinc/38/91/91/1042389191.db2.gz PTQUNXPLJVQIJL-JTQLQIEISA-N -1 0 335.734 3.627 20 0 EHADRM CC(C)Oc1ccc(NC(=O)C2(C(=O)[O-])CCCCCC2)c(F)c1 ZINC000663069414 1042422074 /nfs/dbraw/zinc/42/20/74/1042422074.db2.gz HWISUSDHVBCMTL-UHFFFAOYSA-N -1 0 337.391 3.977 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000013256790 1042437439 /nfs/dbraw/zinc/43/74/39/1042437439.db2.gz IETXGRNVTOMRII-MRXNPFEDSA-N -1 0 349.789 3.744 20 0 EHADRM Cc1ccc([C@@H]2C[C@H]2C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1C ZINC000663118964 1042468091 /nfs/dbraw/zinc/46/80/91/1042468091.db2.gz IRWVRCMKJHBGNT-ZGXWSNOMSA-N -1 0 349.430 3.836 20 0 EHADRM Cc1ccc(-c2nc(CN(CC(=O)[O-])C3CCCCC3)co2)cc1 ZINC000652482849 1042500322 /nfs/dbraw/zinc/50/03/22/1042500322.db2.gz XTJIPDCQSMQZCM-UHFFFAOYSA-N -1 0 328.412 3.869 20 0 EHADRM CC[C@@H]1C[C@H](C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)CCO1 ZINC000248526723 1042525832 /nfs/dbraw/zinc/52/58/32/1042525832.db2.gz CWZJJANOXGQOKJ-FMKPAKJESA-N -1 0 338.407 3.573 20 0 EHADRM C[C@H](c1cc(Cl)ccc1Cl)N1CCSC[C@H]1CC(=O)[O-] ZINC000251231458 1042541159 /nfs/dbraw/zinc/54/11/59/1042541159.db2.gz BHWVLQXYQXWOIA-MWLCHTKSSA-N -1 0 334.268 3.947 20 0 EHADRM C[C@@H](NC(=O)CC1(C(=O)[O-])CCCCC1)c1ccc2c(c1)CCCO2 ZINC000663229091 1042574424 /nfs/dbraw/zinc/57/44/24/1042574424.db2.gz MRMLAMHBJZFNFN-CQSZACIVSA-N -1 0 345.439 3.614 20 0 EHADRM COc1ccc(-c2nc(CN(CC(=O)[O-])CC(C)(C)C)cs2)cc1 ZINC000662224373 1042615520 /nfs/dbraw/zinc/61/55/20/1042615520.db2.gz AWGSCQCWDDEFNY-UHFFFAOYSA-N -1 0 348.468 3.751 20 0 EHADRM Cc1cc(C)c(CC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c(C)c1 ZINC000653328988 1042665988 /nfs/dbraw/zinc/66/59/88/1042665988.db2.gz PSUNWLPJXMQZBE-RTBURBONSA-N -1 0 337.419 3.584 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccccc1Cl)[C@@H]1C[C@H]1c1ccccc1 ZINC000066504362 1042771374 /nfs/dbraw/zinc/77/13/74/1042771374.db2.gz LXKFLWZEJNSPLL-QWHCGFSZSA-N -1 0 335.812 3.789 20 0 EHADRM Cn1cc(/C=C\c2nc3cc(C(=O)[O-])ccc3n2-c2ccccc2)cn1 ZINC000216294181 1042815931 /nfs/dbraw/zinc/81/59/31/1042815931.db2.gz FJBPDDMHZQPCAI-YFHOEESVSA-N -1 0 344.374 3.628 20 0 EHADRM CC[C@H](CC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC000653331233 1042867973 /nfs/dbraw/zinc/86/79/73/1042867973.db2.gz OOWMXZJIILMTNM-CCKFTAQKSA-N -1 0 337.419 4.000 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccccc2OC(F)F)c1 ZINC000071974354 1042976898 /nfs/dbraw/zinc/97/68/98/1042976898.db2.gz LATGESZEGUQFIS-UHFFFAOYSA-N -1 0 331.315 3.536 20 0 EHADRM CCOC(=O)CCc1c(C)[n-]n(-c2ccc(Cl)c(Cl)c2)c1=O ZINC000315438537 1042998826 /nfs/dbraw/zinc/99/88/26/1042998826.db2.gz YTHMGAORPIRJLQ-NSHDSACASA-N -1 0 343.210 3.675 20 0 EHADRM O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc([O-])c(Cl)c1 ZINC000024276944 1043028634 /nfs/dbraw/zinc/02/86/34/1043028634.db2.gz KELWGIGBLGSIKS-UHFFFAOYSA-N -1 0 329.705 3.994 20 0 EHADRM CS[C@H]1CCC[C@H](Nc2ncnc3sc(C(=O)[O-])c(C)c32)C1 ZINC000318679034 1043112389 /nfs/dbraw/zinc/11/23/89/1043112389.db2.gz XFGGPYVZOHQHNG-UWVGGRQHSA-N -1 0 337.470 3.784 20 0 EHADRM CN(C(=O)N[C@H]1CCCc2sccc21)C1(C(=O)[O-])CCCCC1 ZINC000324132871 1043270635 /nfs/dbraw/zinc/27/06/35/1043270635.db2.gz PUGKUXVSULPMJQ-ZDUSSCGKSA-N -1 0 336.457 3.554 20 0 EHADRM C[C@@H](NC(=O)CC1(C(=O)[O-])CCCCC1)c1c(F)cccc1F ZINC000320110332 1043896354 /nfs/dbraw/zinc/89/63/54/1043896354.db2.gz WRQQTTDMYKUOSS-LLVKDONJSA-N -1 0 325.355 3.567 20 0 EHADRM CN(CCCCCO)C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000279478646 1044126200 /nfs/dbraw/zinc/12/62/00/1044126200.db2.gz HIFFKXQJKURFSR-UHFFFAOYSA-N -1 0 347.842 3.947 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccccc2SCC(F)(F)F)CCC1 ZINC000324427579 1044359039 /nfs/dbraw/zinc/35/90/39/1044359039.db2.gz TUBSJVDYLQTVOY-UHFFFAOYSA-N -1 0 347.358 3.925 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1sc(-c2ccc(C)cc2C)nc1C ZINC000653340508 1044449791 /nfs/dbraw/zinc/44/97/91/1044449791.db2.gz KRXZEMWHSRJMOB-AWEZNQCLSA-N -1 0 346.452 3.671 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000261601390 1044505478 /nfs/dbraw/zinc/50/54/78/1044505478.db2.gz BHZCHVKJNCBGLE-UGFHNGPFSA-N -1 0 345.370 3.738 20 0 EHADRM CCC1(CC)CN(C(=O)c2cc(F)c(F)c([O-])c2F)CCS1 ZINC000344865960 1044554399 /nfs/dbraw/zinc/55/43/99/1044554399.db2.gz NSWQEXBAASYSAZ-UHFFFAOYSA-N -1 0 333.375 3.557 20 0 EHADRM O=[N+]([O-])c1cc(Cl)cc(/C=N/Cc2ccc(Cl)cn2)c1[O-] ZINC000183382808 1125543400 /nfs/dbraw/zinc/54/34/00/1125543400.db2.gz RRCKFEDPBWSVMJ-FZSIALSZSA-N -1 0 326.139 3.621 20 0 EHADRM Cc1[nH]nc(C(=O)N2CCC[C@]2(C)Cc2cccc3ccccc32)c1[O-] ZINC000620589470 1125601935 /nfs/dbraw/zinc/60/19/35/1125601935.db2.gz RXZAGSBSAJLOMM-OAQYLSRUSA-N -1 0 349.434 3.814 20 0 EHADRM Cc1ccc(C(=O)N2CCC3(C=Cc4ccccc4O3)CC2)c(O)c1 ZINC000620720171 1125672888 /nfs/dbraw/zinc/67/28/88/1125672888.db2.gz YEPVSRSFJTXKND-UHFFFAOYSA-N -1 0 335.403 3.781 20 0 EHADRM CC(C)[C@H](NC(=O)c1ccc(O)cc1F)c1nc2ccccc2[nH]1 ZINC000154796187 1125756454 /nfs/dbraw/zinc/75/64/54/1125756454.db2.gz ZZUKAWILYWGIOG-INIZCTEOSA-N -1 0 327.359 3.535 20 0 EHADRM C[C@H](Cc1nc2ccccc2s1)NC(=O)c1ccc(O)cc1F ZINC000154982293 1125772344 /nfs/dbraw/zinc/77/23/44/1125772344.db2.gz NCKPVKRDBWVEQM-SNVBAGLBSA-N -1 0 330.384 3.502 20 0 EHADRM CC1(C)CN(C(=O)c2s[n-]c(=O)c2Cl)CC[C@H]1C(F)(F)F ZINC000622553791 1126721912 /nfs/dbraw/zinc/72/19/12/1126721912.db2.gz YCIJYNSPPGLOBY-ZCFIWIBFSA-N -1 0 342.770 3.553 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)c2cscc2C(F)(F)F)s[n-]1 ZINC000622795699 1126766228 /nfs/dbraw/zinc/76/62/28/1126766228.db2.gz YTCCCVADYOVZFS-UHFFFAOYSA-N -1 0 335.376 3.590 20 0 EHADRM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cccc3cccnc32)c1 ZINC000172199890 1126784343 /nfs/dbraw/zinc/78/43/43/1126784343.db2.gz CUHDMDXVOVKJCH-ZDUSSCGKSA-N -1 0 342.420 3.743 20 0 EHADRM CC(C)NC(=O)Nc1cccc(C(=O)Nc2cccc(Cl)c2[O-])c1 ZINC000172108861 1126781065 /nfs/dbraw/zinc/78/10/65/1126781065.db2.gz WVNVMVYBOVOMDG-UHFFFAOYSA-N -1 0 347.802 3.828 20 0 EHADRM O=C(CCCc1nc2ccccc2[nH]1)Nc1cccc(Cl)c1[O-] ZINC000172355190 1126791299 /nfs/dbraw/zinc/79/12/99/1126791299.db2.gz PMBTWRFOXDRTDZ-UHFFFAOYSA-N -1 0 329.787 3.883 20 0 EHADRM C[C@@](CC(=O)NCc1ccc(F)c(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC000336876081 1126813583 /nfs/dbraw/zinc/81/35/83/1126813583.db2.gz AHOWSODHUYEVJI-SFHVURJKSA-N -1 0 349.789 3.528 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000073086937 1126999278 /nfs/dbraw/zinc/99/92/78/1126999278.db2.gz YSYRMFSNUNDEIR-HNNXBMFYSA-N -1 0 339.457 3.686 20 0 EHADRM CCO[N-]C(=O)[C@@](C)(Cc1nc2ccccc2s1)c1ccccc1 ZINC000073083931 1126998649 /nfs/dbraw/zinc/99/86/49/1126998649.db2.gz QZSRRQRJSNCTGC-IBGZPJMESA-N -1 0 340.448 3.864 20 0 EHADRM O=S(=O)([N-]c1cccc2ncccc12)c1cccc2cccnc21 ZINC000179378169 1127060854 /nfs/dbraw/zinc/06/08/54/1127060854.db2.gz LTCLDAUDWQAELP-UHFFFAOYSA-N -1 0 335.388 3.584 20 0 EHADRM COc1cccc(C(=O)Nc2cccc(Cl)c2[O-])c1OC(F)F ZINC000179722868 1127084238 /nfs/dbraw/zinc/08/42/38/1127084238.db2.gz RZOXNSOSJDTICR-UHFFFAOYSA-N -1 0 343.713 3.908 20 0 EHADRM CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2ccc3oc(=S)[n-]c3c2)C1(C)C ZINC001299248384 1127095460 /nfs/dbraw/zinc/09/54/60/1127095460.db2.gz JYAJIBRQTBZRIE-UONOGXRCSA-N -1 0 348.468 3.829 20 0 EHADRM Cc1nc2cc([N-]S(=O)(=O)c3cccc(C)c3Cl)ccc2o1 ZINC000179960353 1127104142 /nfs/dbraw/zinc/10/41/42/1127104142.db2.gz WPVWWBYPSJFCLJ-UHFFFAOYSA-N -1 0 336.800 3.899 20 0 EHADRM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000181196264 1127269487 /nfs/dbraw/zinc/26/94/87/1127269487.db2.gz PUFCYCJRXUSOID-UHFFFAOYSA-N -1 0 344.358 3.772 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2scnc2-c2ccccc2)c(C)o1 ZINC000183143701 1127364777 /nfs/dbraw/zinc/36/47/77/1127364777.db2.gz XDMQGFWFDXXWKO-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM O=C(N[C@@H](C1CCCC1)C(F)(F)F)c1cc(F)c(F)c([O-])c1F ZINC000183071168 1127361784 /nfs/dbraw/zinc/36/17/84/1127361784.db2.gz UHTBMGMCIPEXST-LBPRGKRZSA-N -1 0 341.251 3.660 20 0 EHADRM C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](C)CC(C)(C)c1ccccc1 ZINC000184301718 1127400881 /nfs/dbraw/zinc/40/08/81/1127400881.db2.gz NCGQGMFVVCPHLI-NWDGAFQWSA-N -1 0 337.407 3.613 20 0 EHADRM Cc1cc(C(=O)CCC(=O)Nc2cc(C(=O)[O-])ccc2F)c(C)s1 ZINC000195204085 1127474981 /nfs/dbraw/zinc/47/49/81/1127474981.db2.gz QXPHPZGCWBAUSA-UHFFFAOYSA-N -1 0 349.383 3.804 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](CCC)C(C)C)cc1 ZINC000764564559 1127508017 /nfs/dbraw/zinc/50/80/17/1127508017.db2.gz UJVMCAHOMGEFPH-INIZCTEOSA-N -1 0 325.474 3.516 20 0 EHADRM CCC[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C)c(Cl)c1)C(C)C ZINC000764663012 1127519851 /nfs/dbraw/zinc/51/98/51/1127519851.db2.gz DNCFCTGNQJFAJO-CYBMUJFWSA-N -1 0 331.865 3.526 20 0 EHADRM CC(C)(C)Cc1n[n-]c(=NCc2cscc2Br)o1 ZINC000351607329 1127964772 /nfs/dbraw/zinc/96/47/72/1127964772.db2.gz KALKVVOAAXRTDL-UHFFFAOYSA-N -1 0 330.251 3.516 20 0 EHADRM Cc1cc2occ(CC(=O)N[C@@H](CC3CC3)C(=O)[O-])c2cc1C(C)C ZINC000347509158 1128021293 /nfs/dbraw/zinc/02/12/93/1128021293.db2.gz BNKQSFJUQFRMPL-KRWDZBQOSA-N -1 0 343.423 3.777 20 0 EHADRM C[C@@H](Oc1cccc(/C=C/c2ccc3cccc(O)c3n2)c1)C(=O)[O-] ZINC000058464692 1128068705 /nfs/dbraw/zinc/06/87/05/1128068705.db2.gz GYYRNVCJCILJGW-AORWBKJGSA-N -1 0 335.359 3.963 20 0 EHADRM CC(C)COC(=O)[C@H](C)NC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC001649065734 1128129406 /nfs/dbraw/zinc/12/94/06/1128129406.db2.gz MBXDLGNVGHMPKD-NSHDSACASA-N -1 0 349.814 3.516 20 0 EHADRM CCc1cc2c(CNc3cnn(C(C)(C)C)c3)cc(=O)oc2cc1O ZINC000186268617 1128367064 /nfs/dbraw/zinc/36/70/64/1128367064.db2.gz DNQGCSUOPMXJFS-UHFFFAOYSA-N -1 0 341.411 3.625 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)[N-]S(=O)(=O)CC1CC1 ZINC000073537264 1128392918 /nfs/dbraw/zinc/39/29/18/1128392918.db2.gz SMYZKCYHXWDZPI-VIFPVBQESA-N -1 0 333.862 3.517 20 0 EHADRM Cc1cc(O[C@@H](C)C(=O)[N-]S(=O)(=O)CC2CC2)ccc1C(C)C ZINC000073538794 1128395624 /nfs/dbraw/zinc/39/56/24/1128395624.db2.gz BNGNAJGVLANELF-ZDUSSCGKSA-N -1 0 339.457 3.582 20 0 EHADRM Cc1ncc(NC(=O)c2ccc(C(F)(F)F)c(O)c2)c(C2CC2)n1 ZINC000655050507 1128403949 /nfs/dbraw/zinc/40/39/49/1128403949.db2.gz ZWGKZHDTVFLMRO-UHFFFAOYSA-N -1 0 337.301 3.639 20 0 EHADRM CC[C@@H](N=c1[n-]nc(C2CCOCC2)s1)c1ccc(F)cc1F ZINC000338671673 1128443531 /nfs/dbraw/zinc/44/35/31/1128443531.db2.gz KIZYLWBBYGOPFW-CQSZACIVSA-N -1 0 339.411 3.695 20 0 EHADRM CCC[C@H](CNC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)[O-] ZINC000387882296 1128453072 /nfs/dbraw/zinc/45/30/72/1128453072.db2.gz PKKBNZXILVZIKZ-MRVPVSSYSA-N -1 0 343.807 3.925 20 0 EHADRM CC1(CNc2cccc(S(=O)(=O)[N-]c3nccs3)c2)CCC1 ZINC000352936408 1128465258 /nfs/dbraw/zinc/46/52/58/1128465258.db2.gz YZITXQDDOOGRFT-UHFFFAOYSA-N -1 0 337.470 3.546 20 0 EHADRM Cc1cccc(CO[N-]C(=O)[C@@H](C)Oc2cc(C(C)C)ccc2C)n1 ZINC001168633517 1128514844 /nfs/dbraw/zinc/51/48/44/1128514844.db2.gz DSJQRUCHJBOINF-MRXNPFEDSA-N -1 0 342.439 3.837 20 0 EHADRM Cc1cccc(CO[N-]C(=O)C2c3ccccc3Oc3ccccc32)n1 ZINC001168634440 1128517071 /nfs/dbraw/zinc/51/70/71/1128517071.db2.gz PCTCDAROKUBZML-UHFFFAOYSA-N -1 0 346.386 3.876 20 0 EHADRM CC(C)Oc1ccccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000055590386 1128524292 /nfs/dbraw/zinc/52/42/92/1128524292.db2.gz DVLZOUWMECFCJI-UHFFFAOYSA-N -1 0 325.817 3.928 20 0 EHADRM CC(C)COc1ccc(CN=c2[n-]nc(-c3cccs3)o2)cc1 ZINC000542751548 1128573565 /nfs/dbraw/zinc/57/35/65/1128573565.db2.gz XNZYJLJISMTYGJ-UHFFFAOYSA-N -1 0 329.425 3.867 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc2[nH]c(=O)oc2c1 ZINC000765863424 1128622249 /nfs/dbraw/zinc/62/22/49/1128622249.db2.gz QMXCRBPIDZCSNI-UHFFFAOYSA-N -1 0 339.134 3.798 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)C(F)(F)c1ccccc1F ZINC000765861976 1128622490 /nfs/dbraw/zinc/62/24/90/1128622490.db2.gz IQNHFVNKXWTPDN-UHFFFAOYSA-N -1 0 338.310 3.986 20 0 EHADRM Clc1ccccc1C1(CN=c2[n-]nc(C3CCOCC3)s2)CC1 ZINC000338696078 1128652359 /nfs/dbraw/zinc/65/23/59/1128652359.db2.gz SEWXDXYFADLCSM-UHFFFAOYSA-N -1 0 349.887 3.651 20 0 EHADRM CCc1ccc(CCC(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)cc1 ZINC000057753125 1128664085 /nfs/dbraw/zinc/66/40/85/1128664085.db2.gz ZBFMLFYKSCYTRE-UHFFFAOYSA-N -1 0 337.379 3.576 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCc4ccccc43)n2)c1 ZINC000303921643 1128708374 /nfs/dbraw/zinc/70/83/74/1128708374.db2.gz OTTFEDVFMNCVJR-UHFFFAOYSA-N -1 0 347.418 3.904 20 0 EHADRM Cc1nccn1-c1ccccc1CN=c1nc(-c2ccccc2)[n-]s1 ZINC000338710981 1128731690 /nfs/dbraw/zinc/73/16/90/1128731690.db2.gz BAUQJTCEVCPWIX-UHFFFAOYSA-N -1 0 347.447 3.733 20 0 EHADRM Fc1ccc([C@H]2CC[C@H](N=c3[n-]nc(C4CCOCC4)s3)C2)cc1 ZINC000338710441 1128733539 /nfs/dbraw/zinc/73/35/39/1128733539.db2.gz HRSSGVCWHWASQM-HOCLYGCPSA-N -1 0 347.459 3.741 20 0 EHADRM Nc1ccc(Cl)cc1Nc1ccc(Cl)cc1S(=O)(=O)[O-] ZINC001212437712 1128767798 /nfs/dbraw/zinc/76/77/98/1128767798.db2.gz QUIOITXMQAOMCP-UHFFFAOYSA-N -1 0 333.196 3.566 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000007052790 1128845524 /nfs/dbraw/zinc/84/55/24/1128845524.db2.gz DTCRSYCKWTXTQP-UHFFFAOYSA-N -1 0 325.817 3.930 20 0 EHADRM O=C(c1c([O-])cc(F)cc1F)N1CCC[C@@H]1c1ccc(F)cc1F ZINC001648845488 1120052948 /nfs/dbraw/zinc/05/29/48/1120052948.db2.gz OYMXSFTUEBXBDT-CQSZACIVSA-N -1 0 339.288 3.926 20 0 EHADRM O=C(Nc1ccc2occc2c1)c1[n-]cnc1C(=O)c1ccccc1 ZINC001648847157 1120053729 /nfs/dbraw/zinc/05/37/29/1120053729.db2.gz KLDOQXZUXXOEKD-UHFFFAOYSA-N -1 0 331.331 3.639 20 0 EHADRM CN(C)c1ccc(Cl)cc1NC(=O)c1c([O-])cc(F)cc1F ZINC001648849805 1120054430 /nfs/dbraw/zinc/05/44/30/1120054430.db2.gz TXIBPJBBKBIXRC-UHFFFAOYSA-N -1 0 326.730 3.642 20 0 EHADRM O=C([O-])CCCCCNC(=O)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000414610689 1120213823 /nfs/dbraw/zinc/21/38/23/1120213823.db2.gz NMNNJDRIPCLFSE-LLVKDONJSA-N -1 0 344.864 3.723 20 0 EHADRM CC(C)Sc1ccc(C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])cc1 ZINC000263007392 1120313128 /nfs/dbraw/zinc/31/31/28/1120313128.db2.gz PJACORNGWWHAGI-IMJJTQAJSA-N -1 0 333.453 3.512 20 0 EHADRM CCOCc1cccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c1 ZINC000185231240 1120405322 /nfs/dbraw/zinc/40/53/22/1120405322.db2.gz NYZGNWFGFABDNT-UHFFFAOYSA-N -1 0 348.399 3.644 20 0 EHADRM COc1cc(C)c(NC(=O)CC2(C(=O)[O-])CCCCCC2)cc1F ZINC000186830755 1120476445 /nfs/dbraw/zinc/47/64/45/1120476445.db2.gz GJGZJHRPXWPMPH-UHFFFAOYSA-N -1 0 337.391 3.897 20 0 EHADRM CCCCC[C@H]1CCCN1C(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000494230545 1120510655 /nfs/dbraw/zinc/51/06/55/1120510655.db2.gz KZSUGGOBFZDVME-LBPRGKRZSA-N -1 0 334.445 3.797 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)Cc2cccc3cccnc32)cc1 ZINC000761667646 1120769904 /nfs/dbraw/zinc/76/99/04/1120769904.db2.gz CUIPPSAJGKZWAK-DHZHZOJOSA-N -1 0 332.359 3.514 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)F)cc1 ZINC000195438849 1120784109 /nfs/dbraw/zinc/78/41/09/1120784109.db2.gz VNBUNXLURMSJKP-UHFFFAOYSA-N -1 0 327.352 3.651 20 0 EHADRM CC(C)[C@H](CNC(=O)c1cc(F)c(F)c([O-])c1F)c1ccccc1 ZINC000193927390 1120809182 /nfs/dbraw/zinc/80/91/82/1120809182.db2.gz XFBZOBZATTWFEX-ZDUSSCGKSA-N -1 0 337.341 3.979 20 0 EHADRM O=S(=O)([N-]c1ccc2ncsc2c1)c1ccc(Cl)cc1F ZINC000194157602 1120825556 /nfs/dbraw/zinc/82/55/56/1120825556.db2.gz ZDBHXPKNJCBODR-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)c(F)c1 ZINC000470447336 1121029461 /nfs/dbraw/zinc/02/94/61/1121029461.db2.gz ZTKBGYFNNLDKPW-UHFFFAOYSA-N -1 0 349.305 3.675 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)sc1Cl ZINC000231809158 1121058609 /nfs/dbraw/zinc/05/86/09/1121058609.db2.gz USUVPLCYRVAMFZ-UHFFFAOYSA-N -1 0 338.237 3.870 20 0 EHADRM CCCCc1nnc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)s1 ZINC000176588729 1121060622 /nfs/dbraw/zinc/06/06/22/1121060622.db2.gz UBUVKHYQTJWUCJ-UHFFFAOYSA-N -1 0 349.481 3.610 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc(C)c1Br ZINC000232020891 1121076618 /nfs/dbraw/zinc/07/66/18/1121076618.db2.gz RNHOQHVDUUPUGQ-MNOVXSKESA-N -1 0 340.217 3.505 20 0 EHADRM Cc1ccc(C)c2sc([N-]S(=O)(=O)c3ccc(F)cc3)nc21 ZINC000008864706 1128978072 /nfs/dbraw/zinc/97/80/72/1128978072.db2.gz HBAYRQVPMICYJH-UHFFFAOYSA-N -1 0 336.413 3.853 20 0 EHADRM C[C@H](NC(=O)c1cc(F)c([O-])c(F)c1)c1nc2ccccc2s1 ZINC000762604720 1121380047 /nfs/dbraw/zinc/38/00/47/1121380047.db2.gz JOKPDROYLCSVRB-QMMMGPOBSA-N -1 0 334.347 3.771 20 0 EHADRM CC[C@H](CC(=O)Nc1ccccc1-n1ccc(C(=O)[O-])n1)C(C)C ZINC000236939804 1121469548 /nfs/dbraw/zinc/46/95/48/1121469548.db2.gz YKBLYHREFYAXRE-CYBMUJFWSA-N -1 0 329.400 3.581 20 0 EHADRM CCc1ccc(CN(C(=O)c2ccc(C(=O)[O-])s2)C2CC2)cc1 ZINC000237138262 1121473899 /nfs/dbraw/zinc/47/38/99/1121473899.db2.gz JUIPDYRFQIRLRU-UHFFFAOYSA-N -1 0 329.421 3.814 20 0 EHADRM Cc1ccc(NC(=O)Cc2ccc(C(F)(F)F)cc2)cc1C(=O)[O-] ZINC000237623331 1121489519 /nfs/dbraw/zinc/48/95/19/1121489519.db2.gz ISAXROAGVWLFOI-UHFFFAOYSA-N -1 0 337.297 3.893 20 0 EHADRM Cc1ccc(NC(=O)CCc2ccc(OC(F)F)cc2)cc1C(=O)[O-] ZINC000237611391 1121489582 /nfs/dbraw/zinc/48/95/82/1121489582.db2.gz QZBFFYOBHQVFGB-UHFFFAOYSA-N -1 0 349.333 3.866 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000324432314 1121504089 /nfs/dbraw/zinc/50/40/89/1121504089.db2.gz QKCZEHPMYNSBNF-ZDUSSCGKSA-N -1 0 344.333 3.957 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc2ccccc2s1 ZINC000262489870 1121552417 /nfs/dbraw/zinc/55/24/17/1121552417.db2.gz KWLIXVFEGIXCNA-BNOWGMLFSA-N -1 0 329.421 3.759 20 0 EHADRM CC(C)COc1ncccc1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000762998801 1121647891 /nfs/dbraw/zinc/64/78/91/1121647891.db2.gz DQVHHOUFESOUGH-UHFFFAOYSA-N -1 0 343.408 3.799 20 0 EHADRM CC(C)COc1cccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)c1 ZINC000056083401 1121905579 /nfs/dbraw/zinc/90/55/79/1121905579.db2.gz FGRUUAMLQCZSHJ-UHFFFAOYSA-N -1 0 336.391 3.815 20 0 EHADRM CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1ccc(F)cc1[O-] ZINC000123365901 1122105790 /nfs/dbraw/zinc/10/57/90/1122105790.db2.gz JEAHGBBUEUFGBE-UHFFFAOYSA-N -1 0 343.276 3.702 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cnc(Cl)c(C)c2)c1 ZINC000154062819 1122199177 /nfs/dbraw/zinc/19/91/77/1122199177.db2.gz ARSVPIWGZIKCEX-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cc(C)ccc2Cl)cc1F ZINC000124036596 1122272599 /nfs/dbraw/zinc/27/25/99/1122272599.db2.gz ZUZWZGNJGMRPPJ-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM C/C(=C\C(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1)C1CC1 ZINC000916812986 1122352933 /nfs/dbraw/zinc/35/29/33/1122352933.db2.gz AGCCVRCJKQAGPO-BUHFOSPRSA-N -1 0 347.480 3.896 20 0 EHADRM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1c(F)cccc1Cl ZINC000126001565 1122377232 /nfs/dbraw/zinc/37/72/32/1122377232.db2.gz DPXNICFNMIVSEB-UHFFFAOYSA-N -1 0 339.697 3.697 20 0 EHADRM CC(C)=CCSc1n[n-]c(=Nc2cccc(NC(C)=O)c2)s1 ZINC000497326123 1122460543 /nfs/dbraw/zinc/46/05/43/1122460543.db2.gz PCBJHWKGFKKSFY-UHFFFAOYSA-N -1 0 334.470 3.720 20 0 EHADRM Cc1ccc(C(=O)/C(C#N)=C\c2cccc(O[C@@H](C)C(=O)[O-])c2)cc1 ZINC000154277963 1122486891 /nfs/dbraw/zinc/48/68/91/1122486891.db2.gz ICAZSNDNGSPOGH-XGHPXPSOSA-N -1 0 335.359 3.637 20 0 EHADRM Cc1ccc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c(C)n1 ZINC000128733705 1122657532 /nfs/dbraw/zinc/65/75/32/1122657532.db2.gz RGSXZKBEKRFYQD-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)c1 ZINC000498008194 1122730029 /nfs/dbraw/zinc/73/00/29/1122730029.db2.gz SPZDDAFPALGYLD-UHFFFAOYSA-N -1 0 337.828 3.774 20 0 EHADRM CCc1ccc(CCC(=O)N(CCC(=O)[O-])Cc2ccccc2)cc1 ZINC000013429216 1129074095 /nfs/dbraw/zinc/07/40/95/1129074095.db2.gz WIDQCHBKXHLPRR-UHFFFAOYSA-N -1 0 339.435 3.685 20 0 EHADRM CC[C@@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)C(C)(C)c1ccccc1 ZINC000262707554 1122744631 /nfs/dbraw/zinc/74/46/31/1122744631.db2.gz KAONGDOFXOEFGR-BFYDXBDKSA-N -1 0 331.456 3.750 20 0 EHADRM CCCCN(C(=O)C(=O)c1ccc(O)cc1)[C@H](C)c1ccc(C)o1 ZINC000672816453 1129078719 /nfs/dbraw/zinc/07/87/19/1129078719.db2.gz RBSBJVPRLKVDHP-CQSZACIVSA-N -1 0 329.396 3.866 20 0 EHADRM C[C@@H]1C[C@@H](Sc2n[n-]c(=Nc3ccccc3F)s2)CCO1 ZINC000421827284 1122960465 /nfs/dbraw/zinc/96/04/65/1122960465.db2.gz XDINAFCCCATHFS-ZJUUUORDSA-N -1 0 325.434 3.502 20 0 EHADRM C[C@H](CC(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-])Cc1cccc(F)c1 ZINC000262841882 1122995564 /nfs/dbraw/zinc/99/55/64/1122995564.db2.gz RKHGCQGLRAOATG-IYJAJMOOSA-N -1 0 335.419 3.544 20 0 EHADRM C[C@H]1SCCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)[C@@H]1c1ccccc1 ZINC000262874416 1123061081 /nfs/dbraw/zinc/06/10/81/1123061081.db2.gz DKHKOPHSSLNUPD-DZUCGIPZSA-N -1 0 347.480 3.583 20 0 EHADRM O=S(=O)([N-][C@@H](c1cccs1)C1CC1)c1c(F)cc(F)cc1F ZINC000919648406 1123104474 /nfs/dbraw/zinc/10/44/74/1123104474.db2.gz PTXMMRCMRACBCG-CYBMUJFWSA-N -1 0 347.383 3.595 20 0 EHADRM CC[C@@H](C)CN(C)C(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000072913430 1123176274 /nfs/dbraw/zinc/17/62/74/1123176274.db2.gz IQYRGXXHDPEFLK-MRVPVSSYSA-N -1 0 334.641 3.926 20 0 EHADRM COc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C)ccc1Cl ZINC000132690023 1123282192 /nfs/dbraw/zinc/28/21/92/1123282192.db2.gz XQNCTMOWGUIRHL-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000263007480 1123308707 /nfs/dbraw/zinc/30/87/07/1123308707.db2.gz PJIWQXCDJYUATH-SKDRFNHKSA-N -1 0 335.400 3.532 20 0 EHADRM CCC[C@H](C)CC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC000263149125 1123488805 /nfs/dbraw/zinc/48/88/05/1123488805.db2.gz WPNKVVKAINKWDG-VBNZEHGJSA-N -1 0 337.847 3.793 20 0 EHADRM CCc1cc(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)ccc1C ZINC000237121015 1123494384 /nfs/dbraw/zinc/49/43/84/1123494384.db2.gz LNUGVSOATDXSTP-UHFFFAOYSA-N -1 0 337.419 3.756 20 0 EHADRM O=C(Nc1cc(Cl)cc(Br)c1[O-])c1ccnc(F)c1 ZINC000174915316 1123550103 /nfs/dbraw/zinc/55/01/03/1123550103.db2.gz UUSZHSNCCFFTJP-UHFFFAOYSA-N -1 0 345.555 3.595 20 0 EHADRM CSCc1cccc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000609459764 1123584664 /nfs/dbraw/zinc/58/46/64/1123584664.db2.gz ADNCAJJBUVFGJJ-UHFFFAOYSA-N -1 0 347.383 3.768 20 0 EHADRM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000135387864 1123606901 /nfs/dbraw/zinc/60/69/01/1123606901.db2.gz VFJNAAHCCHROLM-UHFFFAOYSA-N -1 0 341.791 3.873 20 0 EHADRM O=S(=O)([N-]c1cccc2ncccc12)c1ccc(F)cc1Cl ZINC000135717088 1123640920 /nfs/dbraw/zinc/64/09/20/1123640920.db2.gz AUHXMKZFUNPWGE-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM Cc1csc([C@@H](C)NC(=O)c2c([O-])cc(Cl)cc2Cl)n1 ZINC000080023585 1123735035 /nfs/dbraw/zinc/73/50/35/1123735035.db2.gz YKIRHGUVGJJGGN-SSDOTTSWSA-N -1 0 331.224 3.955 20 0 EHADRM Cc1csc([C@H](C)NC(=O)c2c([O-])cc(Cl)cc2Cl)n1 ZINC000080023587 1123735144 /nfs/dbraw/zinc/73/51/44/1123735144.db2.gz YKIRHGUVGJJGGN-ZETCQYMHSA-N -1 0 331.224 3.955 20 0 EHADRM O=S(=O)(Cc1ccc(F)cc1)[N-][C@H](c1ccccc1)C(F)(F)F ZINC000615251388 1123767039 /nfs/dbraw/zinc/76/70/39/1123767039.db2.gz CUMYUZVFOXQQAI-CQSZACIVSA-N -1 0 347.333 3.549 20 0 EHADRM CN(C(=O)CSc1n[n-]c(=S)s1)c1ccc2ccccc2c1 ZINC000080510038 1123867765 /nfs/dbraw/zinc/86/77/65/1123867765.db2.gz WXCPXOBCDJQOQQ-UHFFFAOYSA-N -1 0 347.490 3.735 20 0 EHADRM CC(C)(C)c1nnc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)s1 ZINC000567558894 1123870778 /nfs/dbraw/zinc/87/07/78/1123870778.db2.gz NNYQOHOBAIAILQ-UHFFFAOYSA-N -1 0 337.470 3.514 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc3oc(=O)ccc3c2)c1Cl ZINC000179978042 1123910735 /nfs/dbraw/zinc/91/07/35/1123910735.db2.gz ZDAYXCADBSROIU-UHFFFAOYSA-N -1 0 349.795 3.556 20 0 EHADRM CCCCN(C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)c1ccccc1 ZINC000081847664 1123915640 /nfs/dbraw/zinc/91/56/40/1123915640.db2.gz VCNUWPYYJOOWDA-UHFFFAOYSA-N -1 0 349.434 3.921 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)CSc2ccc(Cl)cc2)C1 ZINC000238002871 1123947086 /nfs/dbraw/zinc/94/70/86/1123947086.db2.gz MZWYTDSFFLYHQI-GFCCVEGCSA-N -1 0 341.860 3.536 20 0 EHADRM CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@H](C)CC(=O)[O-] ZINC000263535924 1124025841 /nfs/dbraw/zinc/02/58/41/1124025841.db2.gz OOWGWXTTZNOZJT-AAEUAGOBSA-N -1 0 345.361 3.501 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000263549350 1124080096 /nfs/dbraw/zinc/08/00/96/1124080096.db2.gz VRDILEMSKIVFIY-DZGCQCFKSA-N -1 0 337.847 3.765 20 0 EHADRM C[C@@H](NC(=O)C1CCC(C(=O)[O-])CC1)C1(c2ccccc2)CCCC1 ZINC000263571504 1124538375 /nfs/dbraw/zinc/53/83/75/1124538375.db2.gz JLVBNKSTIFKIOU-KLAILNCOSA-N -1 0 343.467 3.894 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cc3ccccc3o2)cc1Cl ZINC000084920032 1124604661 /nfs/dbraw/zinc/60/46/61/1124604661.db2.gz CKZJQNKICVTGFP-UHFFFAOYSA-N -1 0 337.784 3.896 20 0 EHADRM CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000084920516 1124604666 /nfs/dbraw/zinc/60/46/66/1124604666.db2.gz KNAVUKCCRFSYGV-UHFFFAOYSA-N -1 0 347.392 3.641 20 0 EHADRM CCc1oc(C(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)cc1C(=O)[O-] ZINC000263575647 1124642097 /nfs/dbraw/zinc/64/20/97/1124642097.db2.gz PISDXNJWKJEETF-LSDHHAIUSA-N -1 0 341.407 3.681 20 0 EHADRM Cc1c2cccc(Cl)c2oc1C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000521625833 1124699609 /nfs/dbraw/zinc/69/96/09/1124699609.db2.gz OYRUVIDZKCIMKF-SKDRFNHKSA-N -1 0 335.787 3.577 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)C[C@@H](c2ccccc2)C(C)C)c(C)o1 ZINC000181301059 1124737486 /nfs/dbraw/zinc/73/74/86/1124737486.db2.gz ITDNAOQPRWODMO-MRXNPFEDSA-N -1 0 349.452 3.531 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cnc1Cl ZINC000735265514 1131328231 /nfs/dbraw/zinc/32/82/31/1131328231.db2.gz GUWHRSWBJBQBJV-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CC(C)Cc1nc(=NC(=O)c2ccc(Cl)cc2Cl)s[n-]1 ZINC000618345368 1125056693 /nfs/dbraw/zinc/05/66/93/1125056693.db2.gz IKBYMLNSMYHUSG-UHFFFAOYSA-N -1 0 330.240 3.718 20 0 EHADRM Cc1cccc(NC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])c1 ZINC000618489667 1125095603 /nfs/dbraw/zinc/09/56/03/1125095603.db2.gz WVNHZFKUUIJPCO-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM CCc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)Cc2ccccc2)cc1 ZINC000070031320 1125164457 /nfs/dbraw/zinc/16/44/57/1125164457.db2.gz BADVHCJSUBCGPY-AWEZNQCLSA-N -1 0 331.437 3.839 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)CCc2ccccc2)cc1 ZINC000070036195 1125164985 /nfs/dbraw/zinc/16/49/85/1125164985.db2.gz PUMNMNKWXULHMM-OAHLLOKOSA-N -1 0 345.464 3.882 20 0 EHADRM CCc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)CCc2ccccc2)cc1 ZINC000070036196 1125165127 /nfs/dbraw/zinc/16/51/27/1125165127.db2.gz PUMNMNKWXULHMM-HNNXBMFYSA-N -1 0 345.464 3.882 20 0 EHADRM Cc1c(NC(=O)c2ccc(Br)c([O-])c2)cccc1N(C)C ZINC000182637343 1125346617 /nfs/dbraw/zinc/34/66/17/1125346617.db2.gz IRIXYXXZBZEMHI-UHFFFAOYSA-N -1 0 349.228 3.781 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CCC1 ZINC000262569165 1125433903 /nfs/dbraw/zinc/43/39/03/1125433903.db2.gz XEZWBZCRUXNDOP-GFCCVEGCSA-N -1 0 339.844 3.638 20 0 EHADRM C[C@H](Sc1n[n-]c(=NCCc2cccs2)s1)c1ccncc1 ZINC000619950809 1125442446 /nfs/dbraw/zinc/44/24/46/1125442446.db2.gz XBNFATUVNCSFSM-NSHDSACASA-N -1 0 348.522 3.924 20 0 EHADRM Cc1ccc2cccc([N-]S(=O)(=O)c3ccccc3Cl)c2n1 ZINC000066587607 1129189115 /nfs/dbraw/zinc/18/91/15/1129189115.db2.gz SNCFVTPTFHMXGB-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM CC(C)Oc1ccc(F)cc1NC(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000066965549 1129229833 /nfs/dbraw/zinc/22/98/33/1129229833.db2.gz XBRFVEOJMIBBTD-OAHLLOKOSA-N -1 0 345.370 3.810 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2nc(COC)cs2)cc1 ZINC000115928176 1129311920 /nfs/dbraw/zinc/31/19/20/1129311920.db2.gz ZKPZQLYTFVKCNI-LLVKDONJSA-N -1 0 340.470 3.604 20 0 EHADRM CCC(CC)(COCc1ccccc1)C(=O)[N-]OCC(F)(F)F ZINC000843828153 1129389376 /nfs/dbraw/zinc/38/93/76/1129389376.db2.gz PBQQCFYPRLYSIT-UHFFFAOYSA-N -1 0 333.350 3.620 20 0 EHADRM CC[C@H](NC(=O)c1ccc(C(=O)[O-])cc1F)c1cc(F)ccc1F ZINC000358611794 1129405802 /nfs/dbraw/zinc/40/58/02/1129405802.db2.gz SETVSIFREVLVLF-HNNXBMFYSA-N -1 0 337.297 3.683 20 0 EHADRM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ncsc1C(C)C ZINC000673497506 1129466963 /nfs/dbraw/zinc/46/69/63/1129466963.db2.gz KORZNTACIRAILO-UHFFFAOYSA-N -1 0 346.861 3.729 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)ccc1OCC1CCC1)c1ccco1 ZINC000466483870 1129485380 /nfs/dbraw/zinc/48/53/80/1129485380.db2.gz YHONORGUHDYSLF-UHFFFAOYSA-N -1 0 341.816 3.913 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(Cl)n2)s1 ZINC000765987668 1129523753 /nfs/dbraw/zinc/52/37/53/1129523753.db2.gz XSYJWNBACBWQLH-UHFFFAOYSA-N -1 0 330.862 3.895 20 0 EHADRM CO[C@H](CSc1n[n-]c(=NC2CC2)s1)c1ccc(Cl)cc1 ZINC000509090614 1129736081 /nfs/dbraw/zinc/73/60/81/1129736081.db2.gz UROPLNXOFYVXRC-GFCCVEGCSA-N -1 0 341.889 3.668 20 0 EHADRM O=C(c1c([O-])cc(F)cc1F)N1CCC(OC2CCCCC2)CC1 ZINC000126632452 1129756077 /nfs/dbraw/zinc/75/60/77/1129756077.db2.gz MSAQXTPUDZETGX-UHFFFAOYSA-N -1 0 339.382 3.624 20 0 EHADRM CSc1cc(Br)ccc1CN=c1[n-]nc(C(C)C)o1 ZINC000347807568 1129841365 /nfs/dbraw/zinc/84/13/65/1129841365.db2.gz DJXKZMFUHHOCON-UHFFFAOYSA-N -1 0 342.262 3.711 20 0 EHADRM Cc1cc(Br)ncc1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212511220 1129875892 /nfs/dbraw/zinc/87/58/92/1129875892.db2.gz XWZQFJGNUPYYPQ-UHFFFAOYSA-N -1 0 343.127 3.873 20 0 EHADRM CC(C)c1nc(S(=O)(=O)[N-]c2ccccc2OC2CCCC2)c[nH]1 ZINC000673884282 1129894768 /nfs/dbraw/zinc/89/47/68/1129894768.db2.gz LQEOWLZTSFRSER-UHFFFAOYSA-N -1 0 349.456 3.655 20 0 EHADRM CSc1ccc(Cl)cc1[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000673884498 1129894909 /nfs/dbraw/zinc/89/49/09/1129894909.db2.gz RCDINGXREDQELI-UHFFFAOYSA-N -1 0 345.877 3.709 20 0 EHADRM CCc1cc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)no1 ZINC000673897945 1129896197 /nfs/dbraw/zinc/89/61/97/1129896197.db2.gz SOFJXYKIQAFNFS-UHFFFAOYSA-N -1 0 340.404 3.609 20 0 EHADRM CCOc1cccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000673897876 1129899247 /nfs/dbraw/zinc/89/92/47/1129899247.db2.gz QLUSNYYQIJAQNZ-UHFFFAOYSA-N -1 0 347.223 3.588 20 0 EHADRM O=C([O-])c1ccc(Nc2csc(-c3ccncc3)n2)c(F)c1F ZINC001212512267 1129920378 /nfs/dbraw/zinc/92/03/78/1129920378.db2.gz FFDHMKTZXYBUSH-UHFFFAOYSA-N -1 0 333.319 3.925 20 0 EHADRM O=C([O-])c1ccc(Nc2cnc3c(C4CCC4)cnn3c2)c(F)c1F ZINC001212512492 1129921186 /nfs/dbraw/zinc/92/11/86/1129921186.db2.gz OTXLFPFXVVCETJ-UHFFFAOYSA-N -1 0 344.321 3.717 20 0 EHADRM COc1ncccc1-c1nc(-c2ccc3[n-]c(=S)sc3c2)no1 ZINC001212512988 1129922739 /nfs/dbraw/zinc/92/27/39/1129922739.db2.gz SFHOMAFBGJJBHZ-UHFFFAOYSA-N -1 0 342.405 3.706 20 0 EHADRM COc1cc(OC)c(Nc2ccc(C(=O)[O-])c(F)c2F)cc1F ZINC001212514234 1129925283 /nfs/dbraw/zinc/92/52/83/1129925283.db2.gz JAHPDNGQQQPVIX-UHFFFAOYSA-N -1 0 327.258 3.563 20 0 EHADRM CCOC(=O)c1ccc(Nc2ccc(C(=O)[O-])c(F)c2F)cc1F ZINC001212516083 1129928467 /nfs/dbraw/zinc/92/84/67/1129928467.db2.gz YESOJZOJCPGBLG-UHFFFAOYSA-N -1 0 339.269 3.722 20 0 EHADRM Nc1ccc(OC(F)(F)F)c(Nc2ccc(C(=O)[O-])c(F)c2F)c1 ZINC001212515262 1129928853 /nfs/dbraw/zinc/92/88/53/1129928853.db2.gz UZDQFMBANAMNSR-UHFFFAOYSA-N -1 0 348.227 3.887 20 0 EHADRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cccc2ncccc12 ZINC000509197240 1129953958 /nfs/dbraw/zinc/95/39/58/1129953958.db2.gz PTIWHDOITWGWCV-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM CC(C)CCn1cccc1CN=c1[n-]nc(Cc2ccsc2)o1 ZINC000347875092 1129956991 /nfs/dbraw/zinc/95/69/91/1129956991.db2.gz JCMIQJJUBXHXHL-UHFFFAOYSA-N -1 0 330.457 3.604 20 0 EHADRM O=S(=O)([N-]CC1(C(F)(F)F)CCCC1)c1sccc1Cl ZINC000625622616 1129958794 /nfs/dbraw/zinc/95/87/94/1129958794.db2.gz NJBVDQCMGHZXPD-UHFFFAOYSA-N -1 0 347.811 3.803 20 0 EHADRM Cc1cccc2ncc(CN=c3[n-]nc(C[C@@H](C)CC(C)(C)C)o3)n21 ZINC000347875555 1129960589 /nfs/dbraw/zinc/96/05/89/1129960589.db2.gz FPFQXABZCYYVIP-CYBMUJFWSA-N -1 0 341.459 3.675 20 0 EHADRM CC(C)Oc1ccc(CN=c2[n-]nc(Cc3ccsc3)o2)cc1 ZINC000347890491 1129988560 /nfs/dbraw/zinc/98/85/60/1129988560.db2.gz JOGZXVVALIFODU-UHFFFAOYSA-N -1 0 329.425 3.543 20 0 EHADRM O=C(C=CCc1cccc(F)c1)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000466633135 1129994481 /nfs/dbraw/zinc/99/44/81/1129994481.db2.gz CPUMZCQAHJPOFA-ALCCZGGFSA-N -1 0 333.366 3.747 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccnn2[C@H](C)C2CC2)cc1Cl ZINC000171342011 1130047578 /nfs/dbraw/zinc/04/75/78/1130047578.db2.gz UEGDADCLKFBECB-LLVKDONJSA-N -1 0 339.848 3.617 20 0 EHADRM O=C(c1c([O-])cc(Cl)cc1Cl)N1CC(Oc2ccccc2)C1 ZINC000674323708 1130065028 /nfs/dbraw/zinc/06/50/28/1130065028.db2.gz GXGVQKTYYZKKOT-UHFFFAOYSA-N -1 0 338.190 3.602 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000674682022 1130171771 /nfs/dbraw/zinc/17/17/71/1130171771.db2.gz ABPBFQBFEPVMSP-ZIAGYGMSSA-N -1 0 341.329 3.787 20 0 EHADRM Cc1cnc([N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)o1 ZINC000674715948 1130179223 /nfs/dbraw/zinc/17/92/23/1130179223.db2.gz XYKMCZXQGYESGG-UHFFFAOYSA-N -1 0 335.212 3.707 20 0 EHADRM CCOC(=O)c1cnc(NC(=O)c2cc3c(cccc3Cl)s2)[n-]1 ZINC001128847374 1130207180 /nfs/dbraw/zinc/20/71/80/1130207180.db2.gz PZRADQJGAUEPQM-UHFFFAOYSA-N -1 0 349.799 3.707 20 0 EHADRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c1 ZINC000675128755 1130262547 /nfs/dbraw/zinc/26/25/47/1130262547.db2.gz DPNYUOSEGBBZBJ-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM Cc1ccnc(F)c1Nc1ccc2ccccc2c1S(=O)(=O)[O-] ZINC001212559607 1130382734 /nfs/dbraw/zinc/38/27/34/1130382734.db2.gz YPKZJMGKJNOGNY-UHFFFAOYSA-N -1 0 332.356 3.673 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000676024316 1130517914 /nfs/dbraw/zinc/51/79/14/1130517914.db2.gz XYEWHDCTAJHWPL-MRXNPFEDSA-N -1 0 347.455 3.729 20 0 EHADRM O=C([O-])C1(CNC(=O)C2(c3cccc(F)c3)CCCCC2)CCCC1 ZINC000676023349 1130518172 /nfs/dbraw/zinc/51/81/72/1130518172.db2.gz GHZUPHVCONPCSL-UHFFFAOYSA-N -1 0 347.430 3.789 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCC2(C(=O)[O-])CCCC2)c1 ZINC000676022859 1130518367 /nfs/dbraw/zinc/51/83/67/1130518367.db2.gz FTUGUKMGALIJAA-HNNXBMFYSA-N -1 0 347.455 3.647 20 0 EHADRM CCCc1sc(C(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1CC ZINC000070730751 1130528894 /nfs/dbraw/zinc/52/88/94/1130528894.db2.gz CSAIJGZLFJRETL-UHFFFAOYSA-N -1 0 341.440 3.695 20 0 EHADRM Cc1cc(F)cc([N-]S(=O)(=O)c2cc(C)cc3cccnc32)c1 ZINC000676314233 1130563934 /nfs/dbraw/zinc/56/39/34/1130563934.db2.gz NGWURHCXXSHZLB-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM O=C([O-])c1cc(/C=C\c2ncc[nH]2)nc2cc(Br)ccc21 ZINC000731159809 1130773669 /nfs/dbraw/zinc/77/36/69/1130773669.db2.gz WIWFEASLACHDHD-RQOWECAXSA-N -1 0 344.168 3.589 20 0 EHADRM Cc1ccc2[nH]cc(CCNC(=O)c3cc(F)cc(Cl)c3[O-])c2c1 ZINC001649135553 1130905222 /nfs/dbraw/zinc/90/52/22/1130905222.db2.gz WECMMUOILGORNP-UHFFFAOYSA-N -1 0 346.789 3.947 20 0 EHADRM O=C(NCc1c(Cl)cccc1Cl)c1n[n-]c2ccccc2c1=O ZINC000732269850 1130907869 /nfs/dbraw/zinc/90/78/69/1130907869.db2.gz WCSMCHMRXKMDDQ-UHFFFAOYSA-N -1 0 348.189 3.572 20 0 EHADRM O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1cc(Cl)ccc1[O-] ZINC000732941918 1130975294 /nfs/dbraw/zinc/97/52/94/1130975294.db2.gz PNAJKNRJTYCKAX-UHFFFAOYSA-N -1 0 349.774 3.956 20 0 EHADRM CC(C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000733680378 1131066854 /nfs/dbraw/zinc/06/68/54/1131066854.db2.gz NZSXHNQDUWTBRR-CQSZACIVSA-N -1 0 337.485 3.831 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)c1sc2cccc(F)c2c1C ZINC000733711403 1131072287 /nfs/dbraw/zinc/07/22/87/1131072287.db2.gz YIBNTQWVKAVTFE-UHFFFAOYSA-N -1 0 343.445 3.597 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC000347990633 1131112169 /nfs/dbraw/zinc/11/21/69/1131112169.db2.gz FQOZMOADPVOXEH-CYBMUJFWSA-N -1 0 337.485 3.834 20 0 EHADRM CC[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1ccc(C)s1 ZINC000734079489 1131193724 /nfs/dbraw/zinc/19/37/24/1131193724.db2.gz FLLZATHXTGDAKT-AWEZNQCLSA-N -1 0 343.514 3.858 20 0 EHADRM C[C@@H]1COCCN1c1ccc(NC(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000737730705 1131454816 /nfs/dbraw/zinc/45/48/16/1131454816.db2.gz RYAFIXKBUKNSBX-GFCCVEGCSA-N -1 0 346.814 3.523 20 0 EHADRM CCN(C(=O)C[C@@H](C)c1ccccc1OC)c1cccc(C(=O)[O-])c1 ZINC000737833760 1131456592 /nfs/dbraw/zinc/45/65/92/1131456592.db2.gz HZOBTDSRIHXSOL-CQSZACIVSA-N -1 0 341.407 3.940 20 0 EHADRM O=C(N[C@H](CC1CC1)c1ccccc1)c1n[n-]c2ccccc2c1=O ZINC000742112756 1131688062 /nfs/dbraw/zinc/68/80/62/1131688062.db2.gz IGXJXXFLAFLHKK-QGZVFWFLSA-N -1 0 333.391 3.607 20 0 EHADRM O=C([N-]Cc1ccc(Oc2ccccc2F)c(F)c1)C(F)(F)F ZINC000742113153 1131688129 /nfs/dbraw/zinc/68/81/29/1131688129.db2.gz RWDNIQGPRHXFAV-UHFFFAOYSA-N -1 0 331.240 3.936 20 0 EHADRM Cc1ccccc1OCCCNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000742251764 1131698237 /nfs/dbraw/zinc/69/82/37/1131698237.db2.gz ZRTJVVISTBZDRH-UHFFFAOYSA-N -1 0 342.420 3.624 20 0 EHADRM CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000744010529 1132007929 /nfs/dbraw/zinc/00/79/29/1132007929.db2.gz LHVZTTBEYBJJSA-GFCCVEGCSA-N -1 0 331.865 3.751 20 0 EHADRM O=C(CCCC1CCCC1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000744072546 1132015855 /nfs/dbraw/zinc/01/58/55/1132015855.db2.gz VSDNVMOZDZDOAN-UHFFFAOYSA-N -1 0 347.839 3.645 20 0 EHADRM CC(C)(C)CS(=O)(=O)[N-]C(=O)C(C)(C)c1ccc2ccccc2c1 ZINC000744131290 1132026318 /nfs/dbraw/zinc/02/63/18/1132026318.db2.gz VNVSCMIHRQKUMD-UHFFFAOYSA-N -1 0 347.480 3.610 20 0 EHADRM CCCCCC[C@](C)(CC)C(=O)[N-]S(=O)(=O)c1cc(C)ccn1 ZINC000744138517 1132028320 /nfs/dbraw/zinc/02/83/20/1132028320.db2.gz ITDHMXVQOQZSHZ-KRWDZBQOSA-N -1 0 340.489 3.582 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(N(C)C)c(Cl)c2)sc1C ZINC000773370940 1132031789 /nfs/dbraw/zinc/03/17/89/1132031789.db2.gz QMQHYHZRKWSKTF-UHFFFAOYSA-N -1 0 344.889 3.885 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2ccc3c(c2)C(=O)N(C2CC2)C3)c1 ZINC001174497397 1132372668 /nfs/dbraw/zinc/37/26/68/1132372668.db2.gz PWNXRDXJVHCFFZ-RUDMXATFSA-N -1 0 334.375 3.646 20 0 EHADRM COC(=O)[C@H](C)c1ccc(Nc2cccc(/C=C/C(=O)[O-])c2)cc1 ZINC001174497384 1132372818 /nfs/dbraw/zinc/37/28/18/1132372818.db2.gz PICJVHWTQCEPKN-ASJRZHAZSA-N -1 0 325.364 3.805 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cc(Br)cnc1C ZINC001174673731 1132432891 /nfs/dbraw/zinc/43/28/91/1132432891.db2.gz LLBOOSWHPISDIT-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM CCOC(=O)c1ccc(Nc2ccc(C(=O)[O-])cc2OC)cc1Cl ZINC001174677004 1132433652 /nfs/dbraw/zinc/43/36/52/1132433652.db2.gz GONCHZFIGIAYRE-UHFFFAOYSA-N -1 0 349.770 3.967 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc(Cl)c(NC(C)=O)c1 ZINC001174677352 1132433879 /nfs/dbraw/zinc/43/38/79/1132433879.db2.gz JBLFGWZTKIGZIY-UHFFFAOYSA-N -1 0 334.759 3.749 20 0 EHADRM COc1cc(Nc2cc(-c3ccc(C)cc3)nn2C)ccc1C(=O)[O-] ZINC001174682503 1132435049 /nfs/dbraw/zinc/43/50/49/1132435049.db2.gz BAQNURMESWDPGK-UHFFFAOYSA-N -1 0 337.379 3.846 20 0 EHADRM COc1cc(OC)c(Nc2ccc(C(=O)[O-])c(OC)c2)cc1Cl ZINC001174683564 1132436018 /nfs/dbraw/zinc/43/60/18/1132436018.db2.gz PZDUDODMQICWIH-UHFFFAOYSA-N -1 0 337.759 3.808 20 0 EHADRM COC(=O)c1ccc(Nc2ccc(C(=O)[O-])c(OC)c2)c(Cl)c1 ZINC001174686018 1132436759 /nfs/dbraw/zinc/43/67/59/1132436759.db2.gz HOHNDHFPDDPZRC-UHFFFAOYSA-N -1 0 335.743 3.577 20 0 EHADRM O=C(Nc1cc(Cl)ccc1O)c1ncc(Br)s1 ZINC000189208578 1132443219 /nfs/dbraw/zinc/44/32/19/1132443219.db2.gz XXTYEQYSFFASQH-UHFFFAOYSA-N -1 0 333.594 3.517 20 0 EHADRM CN(C(=O)OC(C)(C)C)c1ccc(Nc2ccc(C(=O)[O-])s2)cn1 ZINC001174808264 1132478785 /nfs/dbraw/zinc/47/87/85/1132478785.db2.gz REMIGRHGQQSJFJ-UHFFFAOYSA-N -1 0 349.412 3.956 20 0 EHADRM COc1ccc(Nc2ccc(C(=O)[O-])s2)c(Br)c1 ZINC001174810431 1132480407 /nfs/dbraw/zinc/48/04/07/1132480407.db2.gz MWRBQDQFDYWPTM-UHFFFAOYSA-N -1 0 328.187 3.961 20 0 EHADRM COC(=O)c1cccc2c(Nc3ccc(CC(=O)[O-])cc3)cccc12 ZINC001174956072 1132518428 /nfs/dbraw/zinc/51/84/28/1132518428.db2.gz FKEIKOPHZCPFAH-UHFFFAOYSA-N -1 0 335.359 3.997 20 0 EHADRM C[C@H](CC(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1)CC(C)(C)C ZINC000746428753 1132525955 /nfs/dbraw/zinc/52/59/55/1132525955.db2.gz VHIZQCYVKYXFEF-CQSZACIVSA-N -1 0 349.496 3.882 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1cnc2ccc(Br)cn12 ZINC001174981899 1132534063 /nfs/dbraw/zinc/53/40/63/1132534063.db2.gz QYTQZLAMHOGLQZ-UHFFFAOYSA-N -1 0 346.184 3.847 20 0 EHADRM COc1ccc(-n2nc(C)cc2Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC001174982024 1132534361 /nfs/dbraw/zinc/53/43/61/1132534361.db2.gz QJNNVJYFBVHMFE-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM CCCCCC[C@@](C)(CC)C(=O)[N-]S(=O)(=O)c1ccsc1 ZINC000766452519 1132545900 /nfs/dbraw/zinc/54/59/00/1132545900.db2.gz DLRFELXIUMSIBI-OAHLLOKOSA-N -1 0 331.503 3.940 20 0 EHADRM O=C([O-])c1cc(Br)ccc1NCCCCc1ccccn1 ZINC001168795108 1132559916 /nfs/dbraw/zinc/55/99/16/1132559916.db2.gz KNGOWCHYEIUMDD-UHFFFAOYSA-N -1 0 349.228 3.977 20 0 EHADRM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)[N-]Oc1ccccc1 ZINC000773465548 1132566725 /nfs/dbraw/zinc/56/67/25/1132566725.db2.gz GAUJQYSINJCNNF-SNVBAGLBSA-N -1 0 326.179 3.871 20 0 EHADRM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)[N-]Oc1ccccc1 ZINC000773465544 1132567167 /nfs/dbraw/zinc/56/71/67/1132567167.db2.gz GAUJQYSINJCNNF-JTQLQIEISA-N -1 0 326.179 3.871 20 0 EHADRM CCOc1ccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c(F)c1F ZINC001175153628 1132568924 /nfs/dbraw/zinc/56/89/24/1132568924.db2.gz UCLKSSYJHCRIEY-UHFFFAOYSA-N -1 0 331.322 3.998 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc3nc(C4CCC4)nn3c2)cc1F ZINC001175156401 1132569381 /nfs/dbraw/zinc/56/93/81/1132569381.db2.gz CYGGIGUDJMDMNK-UHFFFAOYSA-N -1 0 326.331 3.578 20 0 EHADRM CCOC(=O)c1cc(F)c(F)cc1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175161094 1132571557 /nfs/dbraw/zinc/57/15/57/1132571557.db2.gz RTSBBOYHCXLVHC-UHFFFAOYSA-N -1 0 339.269 3.722 20 0 EHADRM COC(=O)c1cc(Nc2ccc(C(=O)[O-])c(F)c2)c(F)cc1Cl ZINC001175159633 1132571724 /nfs/dbraw/zinc/57/17/24/1132571724.db2.gz BLXATUGWIHPXHF-UHFFFAOYSA-N -1 0 341.697 3.847 20 0 EHADRM O=C([O-])c1ccc(Nc2cccc(-c3nc(CO)cs3)c2)cc1F ZINC001175162314 1132586292 /nfs/dbraw/zinc/58/62/92/1132586292.db2.gz SENWESFKEISVGB-UHFFFAOYSA-N -1 0 344.367 3.883 20 0 EHADRM COc1ccc(-c2cc(Nc3ccc(F)c(C(=O)[O-])c3)on2)cc1 ZINC001175215031 1132597360 /nfs/dbraw/zinc/59/73/60/1132597360.db2.gz GBLGFJUQNDJLOX-UHFFFAOYSA-N -1 0 328.299 3.931 20 0 EHADRM O=C([O-])c1cc(Nc2cc(Br)ncc2F)ccc1F ZINC001175216499 1132598156 /nfs/dbraw/zinc/59/81/56/1132598156.db2.gz ATQLSKARKDDDSQ-UHFFFAOYSA-N -1 0 329.100 3.564 20 0 EHADRM CC(C)(C)c1cnn2cc(Nc3ccc(F)c(C(=O)[O-])c3)cnc12 ZINC001175220931 1132598624 /nfs/dbraw/zinc/59/86/24/1132598624.db2.gz SOIPLYINBYQINN-UHFFFAOYSA-N -1 0 328.347 3.608 20 0 EHADRM O=C([O-])c1cc(Nc2cnc3c(C4CCC4)cnn3c2)ccc1F ZINC001175220007 1132599142 /nfs/dbraw/zinc/59/91/42/1132599142.db2.gz ITDMMJVCQABYIA-UHFFFAOYSA-N -1 0 326.331 3.578 20 0 EHADRM CCC(CC)(C(=O)[N-]OCCCC(F)(F)F)C(=O)OC(C)(C)C ZINC001175291813 1132615717 /nfs/dbraw/zinc/61/57/17/1132615717.db2.gz KVCLSHQQCQGTLN-UHFFFAOYSA-N -1 0 341.370 3.525 20 0 EHADRM Cc1ccc(NCCOc2cccc3ccccc32)cc1-c1nn[nH]n1 ZINC001169015730 1132633521 /nfs/dbraw/zinc/63/35/21/1132633521.db2.gz YIEVHFFLSPKXIU-UHFFFAOYSA-N -1 0 345.406 3.819 20 0 EHADRM O=C([O-])c1ccc(Nc2cccc(Br)n2)cc1Cl ZINC001175313901 1132634866 /nfs/dbraw/zinc/63/48/66/1132634866.db2.gz NBDBGWGYKQVNAX-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM O=C([O-])c1ccc(Nc2cc3ccc(O)cc3oc2=O)cc1Cl ZINC001175314613 1132635116 /nfs/dbraw/zinc/63/51/16/1132635116.db2.gz KANSAHKEFXXSAF-UHFFFAOYSA-N -1 0 331.711 3.594 20 0 EHADRM CC1(C)CNC(=O)c2ccc(Nc3ccc(C(=O)[O-])c(Cl)c3)cc21 ZINC001175321754 1132638950 /nfs/dbraw/zinc/63/89/50/1132638950.db2.gz YEKGJQNKDHTGQK-UHFFFAOYSA-N -1 0 344.798 3.803 20 0 EHADRM COC(=O)c1c(F)cc(Nc2ccc(C(=O)[O-])c(Cl)c2)cc1F ZINC001175322613 1132639189 /nfs/dbraw/zinc/63/91/89/1132639189.db2.gz ZVSDXDSBNYTGKB-UHFFFAOYSA-N -1 0 341.697 3.847 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(F)c3c2OCCC3=O)cc1Cl ZINC001175321745 1132639269 /nfs/dbraw/zinc/63/92/69/1132639269.db2.gz YCXHPHNDKWTIIK-UHFFFAOYSA-N -1 0 335.718 3.886 20 0 EHADRM COc1ccccc1Cn1ncc(C)c1Nc1cccc(C(=O)[O-])c1 ZINC001175328566 1132640275 /nfs/dbraw/zinc/64/02/75/1132640275.db2.gz JTGIIEZDVJBWKW-UHFFFAOYSA-N -1 0 337.379 3.690 20 0 EHADRM O=C([O-])c1cccc(Nc2cc(Br)c3nccn3c2)c1 ZINC001175328558 1132640512 /nfs/dbraw/zinc/64/05/12/1132640512.db2.gz JMVJGUOUHPBXES-UHFFFAOYSA-N -1 0 332.157 3.539 20 0 EHADRM CC(C)(C)OC(=O)c1cccc(Nc2cccc(S(=O)(=O)[O-])c2)c1 ZINC001175544133 1132689612 /nfs/dbraw/zinc/68/96/12/1132689612.db2.gz BQSLRVVRABOCPH-UHFFFAOYSA-N -1 0 349.408 3.632 20 0 EHADRM CSc1ccc(Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)cn1 ZINC001175655436 1132731797 /nfs/dbraw/zinc/73/17/97/1132731797.db2.gz IGGAYNWKQXDDKJ-UHFFFAOYSA-N -1 0 346.433 3.947 20 0 EHADRM O=C([O-])c1cncc(Nc2cc(Br)nc3ccccc32)c1 ZINC001175839861 1132772365 /nfs/dbraw/zinc/77/23/65/1132772365.db2.gz DWIGZOPMGCMEGY-UHFFFAOYSA-N -1 0 344.168 3.834 20 0 EHADRM CS(=O)(=O)c1ccc(Nc2c([S-])cccc2Cl)c(F)c1 ZINC001176280524 1132889605 /nfs/dbraw/zinc/88/96/05/1132889605.db2.gz UNFFIFPPJLWDNS-UHFFFAOYSA-N -1 0 331.821 3.915 20 0 EHADRM Nc1ccc(-c2cc3cc(Nc4cnn(CC(=O)[O-])c4)ccc3o2)cc1 ZINC001176273341 1132899840 /nfs/dbraw/zinc/89/98/40/1132899840.db2.gz ZKWYYEUXIUXAPK-UHFFFAOYSA-N -1 0 348.362 3.707 20 0 EHADRM O=C([O-])c1cc(Nc2ccc3nnc(-c4ccccc4)n3c2)cs1 ZINC001176436238 1132928720 /nfs/dbraw/zinc/92/87/20/1132928720.db2.gz ROPMHPBPYLEEEY-UHFFFAOYSA-N -1 0 336.376 3.900 20 0 EHADRM COC(=O)c1cc(F)c(Nc2csc(C(=O)[O-])c2)c(C)c1F ZINC001176439981 1132930028 /nfs/dbraw/zinc/93/00/28/1132930028.db2.gz BZOBZJMLHMXOEO-UHFFFAOYSA-N -1 0 327.308 3.563 20 0 EHADRM O=C([O-])CN(C(=O)/C=C\c1ccc(Cl)s1)C1CCCCC1 ZINC000767025665 1132935175 /nfs/dbraw/zinc/93/51/75/1132935175.db2.gz QLPSXSWRCSSBCT-CLFYSBASSA-N -1 0 327.833 3.661 20 0 EHADRM Nc1ccc(N(c2ccc(C3(C(=O)[O-])CC3)cc2)C2CCCC2)nc1 ZINC001176586088 1132960515 /nfs/dbraw/zinc/96/05/15/1132960515.db2.gz CJEVZNGUTJOVLS-UHFFFAOYSA-N -1 0 337.423 3.861 20 0 EHADRM COCCOc1ccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cc1F ZINC001176588602 1132961378 /nfs/dbraw/zinc/96/13/78/1132961378.db2.gz OBMJOMYTKNXTCY-UHFFFAOYSA-N -1 0 345.370 3.711 20 0 EHADRM COC(=O)c1cc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c(C)cc1C ZINC001176588718 1132961626 /nfs/dbraw/zinc/96/16/26/1132961626.db2.gz CIOSTHHCUPHEQC-UHFFFAOYSA-N -1 0 339.391 3.950 20 0 EHADRM COC(=O)c1cccc(C)c1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176590868 1132962736 /nfs/dbraw/zinc/96/27/36/1132962736.db2.gz YXGDTQHRAOOZEZ-UHFFFAOYSA-N -1 0 325.364 3.641 20 0 EHADRM CC(C)NC(=O)c1cccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1 ZINC001176590460 1132962821 /nfs/dbraw/zinc/96/28/21/1132962821.db2.gz SKTWNGIKYYOIIN-UHFFFAOYSA-N -1 0 338.407 3.685 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(C(=O)N3CCCCC3)ccc2F)cc1 ZINC001176691280 1132983684 /nfs/dbraw/zinc/98/36/84/1132983684.db2.gz WENMFEMAYRFPIK-UHFFFAOYSA-N -1 0 342.370 3.894 20 0 EHADRM CS(=O)(=O)c1ccc(Nc2c([S-])cccc2Cl)cc1F ZINC001176745077 1132991735 /nfs/dbraw/zinc/99/17/35/1132991735.db2.gz OQJJTISHJVXZCM-UHFFFAOYSA-N -1 0 331.821 3.915 20 0 EHADRM O=C([O-])c1ccc(Nc2cnc3c(Br)cccc3n2)cc1 ZINC001176711242 1132995018 /nfs/dbraw/zinc/99/50/18/1132995018.db2.gz RXXKDRDFHFNQQQ-UHFFFAOYSA-N -1 0 344.168 3.834 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc3nc(-c4ccccc4)nn3c2)cc1 ZINC001176711351 1132995238 /nfs/dbraw/zinc/99/52/38/1132995238.db2.gz XZNVCOZFCALSIG-UHFFFAOYSA-N -1 0 330.347 3.838 20 0 EHADRM Cc1nc2ccc(Br)cn2c1Nc1ccc(C(=O)[O-])cc1 ZINC001176710512 1132995475 /nfs/dbraw/zinc/99/54/75/1132995475.db2.gz KVNVKRSILMNRBB-UHFFFAOYSA-N -1 0 346.184 3.847 20 0 EHADRM COc1cccc(Nc2ccc(C(=O)[O-])cc2)c1C(=O)C(F)(F)F ZINC001176714076 1132995807 /nfs/dbraw/zinc/99/58/07/1132995807.db2.gz GCJXJYBIGVOICT-UHFFFAOYSA-N -1 0 339.269 3.882 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)N1Cc2nc(C3CC3)[nH]c(=O)c2C1 ZINC001176858718 1133009669 /nfs/dbraw/zinc/00/96/69/1133009669.db2.gz JXKSOHACLSVKFE-CYBMUJFWSA-N -1 0 329.444 3.508 20 0 EHADRM C[C@H]1CC[C@@H](OC(=O)c2cc3ccccc3cc2[N-]S(C)(=O)=O)C1 ZINC000767517420 1133012233 /nfs/dbraw/zinc/01/22/33/1133012233.db2.gz CKFOUBQQTDATSP-SWLSCSKDSA-N -1 0 347.436 3.557 20 0 EHADRM O=C([N-]Cc1nc2c(s1)C[C@H](c1ccccc1)CC2)C(F)(F)F ZINC000768592658 1133161167 /nfs/dbraw/zinc/16/11/67/1133161167.db2.gz XMDFEQOALHXBGU-LLVKDONJSA-N -1 0 340.370 3.594 20 0 EHADRM CC(=O)c1cc(F)c([O-])c(NC(=O)CCc2cccc(Cl)c2)c1 ZINC001178428905 1133168519 /nfs/dbraw/zinc/16/85/19/1133168519.db2.gz WEAIDJLYLAQFMZ-UHFFFAOYSA-N -1 0 335.762 3.959 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc2[n-]c(=S)oc2c1)C(=O)c1ccccc1 ZINC000769249138 1133251298 /nfs/dbraw/zinc/25/12/98/1133251298.db2.gz TWTPXGPSCGFQOS-NSHDSACASA-N -1 0 340.404 3.964 20 0 EHADRM CC[C@@H](C)N(OC)C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000769444999 1133284795 /nfs/dbraw/zinc/28/47/95/1133284795.db2.gz HFANWOGWESXGLR-CYBMUJFWSA-N -1 0 331.416 3.503 20 0 EHADRM CCCCc1oc2ccccc2c1/C=C/C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000769511829 1133305905 /nfs/dbraw/zinc/30/59/05/1133305905.db2.gz RQSPZPQRTLGFJQ-ATWMFIQVSA-N -1 0 341.407 3.722 20 0 EHADRM Cn1cc(/C=C\c2ncc(/C=C/C(=O)[O-])s2)c(-c2cccs2)n1 ZINC000769611318 1133321910 /nfs/dbraw/zinc/32/19/10/1133321910.db2.gz XQJBLYBOZSEUOO-XGXWUAJZSA-N -1 0 343.433 3.873 20 0 EHADRM COc1ccc(OC(F)F)c(NC(=O)c2c([O-])cccc2Cl)c1 ZINC000769702340 1133331682 /nfs/dbraw/zinc/33/16/82/1133331682.db2.gz ZOZKABBAJYEYEX-UHFFFAOYSA-N -1 0 343.713 3.908 20 0 EHADRM O=C(c1c([O-])cccc1Cl)N1CCN(CC2CC2)c2ccccc21 ZINC000769931425 1133369043 /nfs/dbraw/zinc/36/90/43/1133369043.db2.gz HKKGCVSEPKNURE-UHFFFAOYSA-N -1 0 342.826 3.922 20 0 EHADRM O=C([O-])C1(C(=O)N2CCC[C@H](Cc3ccccc3)C2)CCCCC1 ZINC001180435354 1133369851 /nfs/dbraw/zinc/36/98/51/1133369851.db2.gz DSBGVIDIAIAMCI-QGZVFWFLSA-N -1 0 329.440 3.503 20 0 EHADRM O=C(Nc1nc2c(o1)CCCC2)c1cc(Cl)cc(Cl)c1[O-] ZINC001180595912 1133397160 /nfs/dbraw/zinc/39/71/60/1133397160.db2.gz CICANJLDHIGGQE-UHFFFAOYSA-N -1 0 327.167 3.818 20 0 EHADRM O=C(CCc1ccc(-c2ccccc2)cc1)NCc1ncccc1O ZINC001180944446 1133434257 /nfs/dbraw/zinc/43/42/57/1133434257.db2.gz ZLEBTKIHSXBAKK-UHFFFAOYSA-N -1 0 332.403 3.703 20 0 EHADRM Cc1nc(NC2CC2)sc1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000771046925 1133506373 /nfs/dbraw/zinc/50/63/73/1133506373.db2.gz KJIAEEMODNUILK-UHFFFAOYSA-N -1 0 346.437 3.708 20 0 EHADRM C[S@@](=O)c1cccc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC000771440396 1133557947 /nfs/dbraw/zinc/55/79/47/1133557947.db2.gz SJKOQQHVHBCBNW-OAQYLSRUSA-N -1 0 344.219 3.689 20 0 EHADRM Cc1ccccc1OCC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000746523402 1133633707 /nfs/dbraw/zinc/63/37/07/1133633707.db2.gz UUKXPPWIGJUOEU-UHFFFAOYSA-N -1 0 339.313 3.641 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]C(=O)[C@H](C)CC(C)(C)C)c1 ZINC000774232981 1133637620 /nfs/dbraw/zinc/63/76/20/1133637620.db2.gz LBZVKRCTLLIUOC-CYBMUJFWSA-N -1 0 325.474 3.687 20 0 EHADRM CCC[C@H](NC(=O)N[C@](C)(CCC)C(=O)[O-])c1ccc(F)cc1F ZINC000780660532 1133641711 /nfs/dbraw/zinc/64/17/11/1133641711.db2.gz TUJQAWFYTLHARH-WMLDXEAASA-N -1 0 342.386 3.749 20 0 EHADRM CC(C)[C@H]1OCCC[C@H]1CNC(=O)c1c([O-])cc(Cl)cc1Cl ZINC001182851800 1133742948 /nfs/dbraw/zinc/74/29/48/1133742948.db2.gz CSQDMYJMHIJNNZ-ZUZCIYMTSA-N -1 0 346.254 3.880 20 0 EHADRM Cc1c(Cl)cc(NC(=O)[C@@](C)(O)c2ccccc2)c([O-])c1Cl ZINC001182935348 1133753573 /nfs/dbraw/zinc/75/35/73/1133753573.db2.gz YNCZTFPXNUUAFP-INIZCTEOSA-N -1 0 340.206 3.854 20 0 EHADRM Cc1nc(Cl)c(NC(=O)Cc2ccc([S-])cc2)c(Cl)n1 ZINC001183186407 1133776822 /nfs/dbraw/zinc/77/68/22/1133776822.db2.gz RSIXBLFUNQALRS-UHFFFAOYSA-N -1 0 328.224 3.562 20 0 EHADRM O=C(Cc1ccc([S-])cc1)NCCC(C(F)(F)F)C(F)(F)F ZINC001183192183 1133777571 /nfs/dbraw/zinc/77/75/71/1133777571.db2.gz NAPTUNVXFXCRGM-UHFFFAOYSA-N -1 0 345.308 3.765 20 0 EHADRM O=C(C=C([O-])c1ccc(Cl)cc1)CCC(=O)N1CCC2(CCC2)C1 ZINC001184120030 1133900988 /nfs/dbraw/zinc/90/09/88/1133900988.db2.gz LKGQSJVUKSECOR-UHFFFAOYSA-N -1 0 347.842 3.665 20 0 EHADRM Cc1nc(C(=O)Nc2ccccc2[S-])sc1Br ZINC001184902205 1134003856 /nfs/dbraw/zinc/00/38/56/1134003856.db2.gz QBOLEHXHDSLRSA-UHFFFAOYSA-N -1 0 329.244 3.755 20 0 EHADRM O=S(=O)([N-]c1ccnn1CC1CCC1)c1cc2ccccc2s1 ZINC001185433804 1134085172 /nfs/dbraw/zinc/08/51/72/1134085172.db2.gz OVXYZXNLBLZKNS-UHFFFAOYSA-N -1 0 347.465 3.699 20 0 EHADRM O=C(C=C([O-])c1ccccc1Cl)NCc1cccc2cc[nH]c21 ZINC001185444285 1134087335 /nfs/dbraw/zinc/08/73/35/1134087335.db2.gz QSAWHHLFDFTFEK-UHFFFAOYSA-N -1 0 326.783 3.711 20 0 EHADRM CC(=O)c1ccccc1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185459530 1134091216 /nfs/dbraw/zinc/09/12/16/1134091216.db2.gz IALDWWBAMBWWAE-UHFFFAOYSA-N -1 0 331.418 3.905 20 0 EHADRM COc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1 ZINC001185524228 1134102807 /nfs/dbraw/zinc/10/28/07/1134102807.db2.gz FBDZTTWBEVUWBP-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM Cc1cc(F)c(S(=O)(=O)NCc2ccc(C(C)C)cc2)c(F)c1 ZINC001185833102 1134138637 /nfs/dbraw/zinc/13/86/37/1134138637.db2.gz FKSKKOJPGWDHBP-UHFFFAOYSA-N -1 0 339.407 3.875 20 0 EHADRM COc1ccc(NC(=O)CC2(C(=O)[O-])CCC2)cc1OC1CCCC1 ZINC000788718225 1134162588 /nfs/dbraw/zinc/16/25/88/1134162588.db2.gz MYAZRIJLRYXMAP-UHFFFAOYSA-N -1 0 347.411 3.600 20 0 EHADRM Cc1c(Cl)cc(NC(=O)c2ccc(CO)cc2)c([O-])c1Cl ZINC001186114657 1134171641 /nfs/dbraw/zinc/17/16/41/1134171641.db2.gz VWLWVDAGMWGRBF-UHFFFAOYSA-N -1 0 326.179 3.752 20 0 EHADRM O=C(NCc1ccccc1OC(F)(F)F)c1cccc([S-])c1 ZINC001186132220 1134173338 /nfs/dbraw/zinc/17/33/38/1134173338.db2.gz UKZCECAHPUYZSE-UHFFFAOYSA-N -1 0 327.327 3.804 20 0 EHADRM C[C@@H](O)c1cccc([N-]S(=O)(=O)c2csc3ccccc32)c1 ZINC001186442116 1134213699 /nfs/dbraw/zinc/21/36/99/1134213699.db2.gz VNBFDHYEZVANQT-LLVKDONJSA-N -1 0 333.434 3.755 20 0 EHADRM Cc1cc(Oc2ccccc2)ncc1[N-]S(=O)(=O)c1ccco1 ZINC001186819337 1134262591 /nfs/dbraw/zinc/26/25/91/1134262591.db2.gz DLHYCUDCZZBENZ-UHFFFAOYSA-N -1 0 330.365 3.576 20 0 EHADRM O=S(=O)([N-]c1cccc(F)c1OC1CCCCC1)c1ccco1 ZINC001186863029 1134270654 /nfs/dbraw/zinc/27/06/54/1134270654.db2.gz HPAKFMAYQIOXCJ-UHFFFAOYSA-N -1 0 339.388 3.931 20 0 EHADRM O=S(=O)([N-]c1cccc(C2CC2)n1)c1cc2c(s1)CCCC2 ZINC001187188777 1134307107 /nfs/dbraw/zinc/30/71/07/1134307107.db2.gz KRQIGNUBSUXNJG-UHFFFAOYSA-N -1 0 334.466 3.700 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)ccc1C ZINC001187210639 1134314970 /nfs/dbraw/zinc/31/49/70/1134314970.db2.gz WQANXXMOCHQICD-UHFFFAOYSA-N -1 0 337.466 3.745 20 0 EHADRM COc1ccc(F)cc1[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187210720 1134315346 /nfs/dbraw/zinc/31/53/46/1134315346.db2.gz YMDYGMYNODPYLJ-UHFFFAOYSA-N -1 0 341.429 3.575 20 0 EHADRM CCc1cccc(O)c1[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187219354 1134316888 /nfs/dbraw/zinc/31/68/88/1134316888.db2.gz QRGDNCKGUYFLSS-UHFFFAOYSA-N -1 0 337.466 3.696 20 0 EHADRM CC(=O)c1ccc2nc([N-]S(=O)(=O)c3ccc(C)cc3)sc2c1 ZINC000789761706 1134327553 /nfs/dbraw/zinc/32/75/53/1134327553.db2.gz MCXXBDPUSZVHIN-UHFFFAOYSA-N -1 0 346.433 3.608 20 0 EHADRM Cc1oc2ccccc2c1CNc1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000789902802 1134347385 /nfs/dbraw/zinc/34/73/85/1134347385.db2.gz QOROJVFUGYDJJN-UHFFFAOYSA-N -1 0 339.347 3.823 20 0 EHADRM C/C(=C\c1ccccc1)CNc1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000789903387 1134348133 /nfs/dbraw/zinc/34/81/33/1134348133.db2.gz IUURINXNJBTFBG-UKTHLTGXSA-N -1 0 325.364 3.671 20 0 EHADRM CCO[C@H](CCNC(=O)c1ccc2[n-]c(=S)oc2c1)C1CCCC1 ZINC000746878154 1134368814 /nfs/dbraw/zinc/36/88/14/1134368814.db2.gz FULQKCZTYPABAW-OAHLLOKOSA-N -1 0 348.468 3.832 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccc(F)cc2)cc1)c1nccs1 ZINC001187847697 1134389831 /nfs/dbraw/zinc/38/98/31/1134389831.db2.gz NHZMQCYFFZXHTP-UHFFFAOYSA-N -1 0 334.397 3.750 20 0 EHADRM COc1ccc(-c2cccc([N-]S(=O)(=O)c3nccs3)c2)cc1 ZINC001187891497 1134399702 /nfs/dbraw/zinc/39/97/02/1134399702.db2.gz OAHVFSVYFITXSF-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM COc1cccc(-c2cccc([N-]S(=O)(=O)c3nccs3)c2)c1 ZINC001187892248 1134400030 /nfs/dbraw/zinc/40/00/30/1134400030.db2.gz ZOXNPQNIWQAWCL-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM CCC(C)(C)c1ccc([N-]S(=O)(=O)c2ncn(C)c2Cl)cc1 ZINC000790358132 1134403903 /nfs/dbraw/zinc/40/39/03/1134403903.db2.gz ZHQXDFNGFFXNBC-UHFFFAOYSA-N -1 0 341.864 3.562 20 0 EHADRM Cc1cc(C)nc(C(=O)Nc2ccc(F)c(Br)c2[O-])c1 ZINC001188144325 1134433794 /nfs/dbraw/zinc/43/37/94/1134433794.db2.gz MZRWRQJGWLQGNP-UHFFFAOYSA-N -1 0 339.164 3.558 20 0 EHADRM O=S(=O)([N-]c1cccs1)c1cnc(Cl)c(C(F)(F)F)c1 ZINC001188211407 1134442391 /nfs/dbraw/zinc/44/23/91/1134442391.db2.gz MZQOUVSMJVRHJY-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM O=S(=O)([N-]c1cc(F)ccn1)c1ccc(-c2ccc(F)cc2)cc1 ZINC001188423469 1134461301 /nfs/dbraw/zinc/46/13/01/1134461301.db2.gz GCQOWODDWDKKSZ-UHFFFAOYSA-N -1 0 346.358 3.828 20 0 EHADRM O=S(=O)([N-]c1cnsc1)c1ccc(-c2ccc(F)cc2)cc1 ZINC001188429268 1134462371 /nfs/dbraw/zinc/46/23/71/1134462371.db2.gz GMDNUXIQTSRUOP-UHFFFAOYSA-N -1 0 334.397 3.750 20 0 EHADRM COc1ccc(NC(=O)Nc2ccc(O)c(F)c2F)cc1Cl ZINC001188470185 1134469727 /nfs/dbraw/zinc/46/97/27/1134469727.db2.gz VHYXGOCTVAVJMN-UHFFFAOYSA-N -1 0 328.702 3.976 20 0 EHADRM O=C(COc1ccc(Cl)c2ccccc12)[N-]OCc1cccnc1 ZINC000746946375 1134473158 /nfs/dbraw/zinc/47/31/58/1134473158.db2.gz ZJIPLFIOMOQYFW-UHFFFAOYSA-N -1 0 342.782 3.515 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)C(F)(F)C1CCOCC1 ZINC000790834672 1134473286 /nfs/dbraw/zinc/47/32/86/1134473286.db2.gz SUBLLIFMGUSZGU-UHFFFAOYSA-N -1 0 340.153 3.699 20 0 EHADRM O=C(NCc1cc(F)cnc1Cl)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188587894 1134485162 /nfs/dbraw/zinc/48/51/62/1134485162.db2.gz CJCZUWCPRGVBEN-UHFFFAOYSA-N -1 0 348.683 3.529 20 0 EHADRM O=C(NCCc1cc(F)cc(F)c1)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188587772 1134485610 /nfs/dbraw/zinc/48/56/10/1134485610.db2.gz AQDGVJDIWYJDRH-UHFFFAOYSA-N -1 0 345.267 3.662 20 0 EHADRM O=C(Nc1ccccc1-c1ccc(F)c(F)c1)c1ccncc1[O-] ZINC001188636814 1134492124 /nfs/dbraw/zinc/49/21/24/1134492124.db2.gz MQHQXSJIMNQHAN-UHFFFAOYSA-N -1 0 326.302 3.985 20 0 EHADRM CC(C)Cc1ccc(C(=O)COC(=O)c2c(F)cc([O-])cc2F)cc1 ZINC000746986829 1134516238 /nfs/dbraw/zinc/51/62/38/1134516238.db2.gz OTVJRGLGHPLZNX-UHFFFAOYSA-N -1 0 348.345 3.909 20 0 EHADRM C[C@@H](NC(=O)c1cc2sccc2c(O)c1)[C@@H](O)c1ccc(F)cc1 ZINC000791389237 1134542458 /nfs/dbraw/zinc/54/24/58/1134542458.db2.gz YPRMBUUYQDVULZ-BMLIUANNSA-N -1 0 345.395 3.598 20 0 EHADRM O=C(c1cc2sccc2c(O)c1)N1CCO[C@H](c2cccs2)C1 ZINC000791388586 1134542606 /nfs/dbraw/zinc/54/26/06/1134542606.db2.gz USRKPDCZKDPDNP-AWEZNQCLSA-N -1 0 345.445 3.882 20 0 EHADRM Cc1cc(-n2ccnc2)ccc1COC(=O)c1cc(F)c([O-])c(F)c1 ZINC000791400053 1134544782 /nfs/dbraw/zinc/54/47/82/1134544782.db2.gz ASBHNAJCCYXHMU-UHFFFAOYSA-N -1 0 344.317 3.522 20 0 EHADRM COc1cc(Cl)ccc1NS(=O)(=O)Cc1ccc(F)c(F)c1 ZINC001189310364 1134568518 /nfs/dbraw/zinc/56/85/18/1134568518.db2.gz REHMDOPNCSRERL-UHFFFAOYSA-N -1 0 347.770 3.569 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3cnccc32)c1 ZINC001189563418 1134598166 /nfs/dbraw/zinc/59/81/66/1134598166.db2.gz KSVXTOBMOZGPBT-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM O=C([N-]OC1CCCC1)C1(c2ccc(Br)cc2)CCC1 ZINC000775276339 1134608122 /nfs/dbraw/zinc/60/81/22/1134608122.db2.gz PWUMBRHWRDYLRO-UHFFFAOYSA-N -1 0 338.245 3.861 20 0 EHADRM O=S(=O)([N-]c1cccc2cc[nH]c21)c1ccc(Cl)nc1Cl ZINC000775297013 1134617688 /nfs/dbraw/zinc/61/76/88/1134617688.db2.gz IIAPEYGHWXTZMN-UHFFFAOYSA-N -1 0 342.207 3.671 20 0 EHADRM O=S(=O)(Cc1ccc(F)cc1F)Nc1cc(Cl)ccc1[S-] ZINC001189813726 1134629984 /nfs/dbraw/zinc/62/99/84/1134629984.db2.gz GDSFYDAOFADFFA-UHFFFAOYSA-N -1 0 349.811 3.849 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(Br)ccc2[S-])C2(CC2)C1 ZINC001189950097 1134640554 /nfs/dbraw/zinc/64/05/54/1134640554.db2.gz GFZLWUBYLIBDBL-SECBINFHSA-N -1 0 326.259 3.752 20 0 EHADRM O=S(=O)([N-]c1cccs1)c1cc(F)cc(C(F)(F)F)c1 ZINC001189958051 1134641566 /nfs/dbraw/zinc/64/15/66/1134641566.db2.gz UHYYYTWKCHLMOX-UHFFFAOYSA-N -1 0 325.308 3.707 20 0 EHADRM CCCc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)cc1 ZINC001190348938 1134686999 /nfs/dbraw/zinc/68/69/99/1134686999.db2.gz ZKVBOFRQCIDBRH-UHFFFAOYSA-N -1 0 329.343 3.857 20 0 EHADRM Cc1cc(F)cc(C)c1[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190395177 1134690409 /nfs/dbraw/zinc/69/04/09/1134690409.db2.gz FWUUUSUMOIMUII-UHFFFAOYSA-N -1 0 333.306 3.661 20 0 EHADRM COCCC[C@H](Cc1ccccc1)NC(=O)c1cccc(Cl)c1[O-] ZINC000792550593 1134697627 /nfs/dbraw/zinc/69/76/27/1134697627.db2.gz HUUKJQBTTSRXMU-OAHLLOKOSA-N -1 0 347.842 3.813 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc3c2OCO3)cc1 ZINC001190423384 1134698327 /nfs/dbraw/zinc/69/83/27/1134698327.db2.gz URZYTXKLXGVVAV-UHFFFAOYSA-N -1 0 347.436 3.904 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccnc2C(C)=O)cc1 ZINC001190431803 1134699411 /nfs/dbraw/zinc/69/94/11/1134699411.db2.gz OUFMBEPGOANIQT-UHFFFAOYSA-N -1 0 346.452 3.773 20 0 EHADRM CP(C)(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190499400 1134706903 /nfs/dbraw/zinc/70/69/03/1134706903.db2.gz DZKNHXCUNSFERA-UHFFFAOYSA-N -1 0 349.392 3.613 20 0 EHADRM Cc1nc2c(cccc2[N-]S(=O)(=O)c2ccc(C3CC3)cc2)o1 ZINC001190499531 1134707030 /nfs/dbraw/zinc/70/70/30/1134707030.db2.gz BPODRXDRMIHISK-UHFFFAOYSA-N -1 0 328.393 3.814 20 0 EHADRM [O-]c1cc(CN2CCC[C@H](F)C(F)(F)C2)c(F)c(F)c1Cl ZINC001250386858 1134727940 /nfs/dbraw/zinc/72/79/40/1134727940.db2.gz BOOKWJFSBFWXKT-VIFPVBQESA-N -1 0 329.696 3.893 20 0 EHADRM O=S(=O)([N-]c1ccccc1Oc1ccc(Cl)cc1)c1ncc[nH]1 ZINC001190721673 1134742791 /nfs/dbraw/zinc/74/27/91/1134742791.db2.gz LTVDGVIZISIALH-UHFFFAOYSA-N -1 0 349.799 3.656 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cncc(C3CC3)c2)c1 ZINC001191158243 1134804729 /nfs/dbraw/zinc/80/47/29/1134804729.db2.gz ZJNOKQNYBFSFDY-UHFFFAOYSA-N -1 0 339.420 3.616 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)c(O)c1 ZINC001191192749 1134824243 /nfs/dbraw/zinc/82/42/43/1134824243.db2.gz PWEMUBLQGYQYDR-UHFFFAOYSA-N -1 0 342.420 3.612 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cccc3cnoc32)cc1 ZINC001191252490 1134825116 /nfs/dbraw/zinc/82/51/16/1134825116.db2.gz BUMJFUVNKOXNCR-UHFFFAOYSA-N -1 0 330.409 3.971 20 0 EHADRM CC(C)COc1ccc(F)cc1[N-]S(=O)(=O)CC1CCCC1 ZINC001191535597 1134881712 /nfs/dbraw/zinc/88/17/12/1134881712.db2.gz NATPXZBJRDXVSS-UHFFFAOYSA-N -1 0 329.437 3.792 20 0 EHADRM CCc1cccc(O)c1[N-]S(=O)(=O)c1cc(C(C)C)ccc1OC ZINC001191706048 1134902163 /nfs/dbraw/zinc/90/21/63/1134902163.db2.gz JOTNLPQQJURRLW-UHFFFAOYSA-N -1 0 349.452 3.887 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cccc2cnccc21 ZINC001191780730 1134921011 /nfs/dbraw/zinc/92/10/11/1134921011.db2.gz TZPKMNWDNOSAGR-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(Cl)nc1C ZINC001191787963 1134922732 /nfs/dbraw/zinc/92/27/32/1134922732.db2.gz XLVZPQPIBIJERE-UHFFFAOYSA-N -1 0 340.832 3.551 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1cc(C)ccc1OCC ZINC001191828603 1134932214 /nfs/dbraw/zinc/93/22/14/1134932214.db2.gz JAIUFNKTIGDCSZ-UHFFFAOYSA-N -1 0 349.452 3.983 20 0 EHADRM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1ccc(F)c(C2CC2)c1 ZINC001192367458 1135007359 /nfs/dbraw/zinc/00/73/59/1135007359.db2.gz CWUKRWZVOSMSHC-UHFFFAOYSA-N -1 0 340.807 3.861 20 0 EHADRM O=C(CSC(F)(F)F)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000747162256 1135010212 /nfs/dbraw/zinc/01/02/12/1135010212.db2.gz QGQSHKVHNAJPCI-UHFFFAOYSA-N -1 0 333.253 3.506 20 0 EHADRM COCc1cc(NC(=O)/C=C/c2ccc(Cl)cc2)cc(C(=O)[O-])c1 ZINC000794004969 1135012822 /nfs/dbraw/zinc/01/28/22/1135012822.db2.gz ONIFIQGHDDQHMV-QPJJXVBHSA-N -1 0 345.782 3.837 20 0 EHADRM CSCCO[N-]C(=O)CSc1cccc2cccc(Cl)c21 ZINC000794190437 1135026204 /nfs/dbraw/zinc/02/62/04/1135026204.db2.gz DTBHOVBJEWLXHR-UHFFFAOYSA-N -1 0 341.885 3.996 20 0 EHADRM Cc1cc2cc([N-]S(=O)(=O)c3cnc(Cl)c(C)c3)ccc2o1 ZINC001192571901 1135038681 /nfs/dbraw/zinc/03/86/81/1135038681.db2.gz PAFCGMWTHPYCBX-UHFFFAOYSA-N -1 0 336.800 3.899 20 0 EHADRM COc1cc(NC(=O)c2ccc3[n-]c(=S)oc3c2)c(C)cc1C ZINC000794364093 1135044293 /nfs/dbraw/zinc/04/42/93/1135044293.db2.gz CEWHWGLMBSSSAR-UHFFFAOYSA-N -1 0 328.393 3.994 20 0 EHADRM O=C(N=c1cc[nH]cc1Oc1ccccc1)c1c(F)ccc(F)c1[O-] ZINC001192694205 1135045328 /nfs/dbraw/zinc/04/53/28/1135045328.db2.gz DJAJYKYFKPMDLI-UHFFFAOYSA-N -1 0 342.301 3.532 20 0 EHADRM O=C(c1c(F)ccc(F)c1[O-])N1CCC2(C=Cc3ccccc32)CC1 ZINC001192693531 1135045616 /nfs/dbraw/zinc/04/56/16/1135045616.db2.gz KODQIJRORCJHST-UHFFFAOYSA-N -1 0 341.357 3.871 20 0 EHADRM Cc1cc(NC(=O)c2c([O-])ccc(F)c2F)n(-c2ccccc2F)n1 ZINC001192729316 1135047339 /nfs/dbraw/zinc/04/73/39/1135047339.db2.gz GGAAHQVUCABBOV-UHFFFAOYSA-N -1 0 347.296 3.556 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cccc3c2ccn3C)c1 ZINC001192821634 1135059051 /nfs/dbraw/zinc/05/90/51/1135059051.db2.gz RRXQYDANOIJYSH-UHFFFAOYSA-N -1 0 344.436 3.550 20 0 EHADRM COc1ccc([C@H](NC(=O)c2ccc(F)c(F)c2[O-])C2CC2)cc1 ZINC001192817619 1135059473 /nfs/dbraw/zinc/05/94/73/1135059473.db2.gz HVJURFGJVMEZIF-MRXNPFEDSA-N -1 0 333.334 3.560 20 0 EHADRM COc1ccc(CNC(=O)c2ccc([O-])c(F)c2F)c2ccccc12 ZINC001192849615 1135064549 /nfs/dbraw/zinc/06/45/49/1135064549.db2.gz PCVCXNVGDIRKPO-UHFFFAOYSA-N -1 0 343.329 3.762 20 0 EHADRM COc1cc(OC)c(NC(=O)c2cc(F)c([O-])cc2F)cc1Cl ZINC001192852659 1135066194 /nfs/dbraw/zinc/06/61/94/1135066194.db2.gz JIVWXCRSIUMLAT-UHFFFAOYSA-N -1 0 343.713 3.593 20 0 EHADRM O=S(=O)([N-]c1cccc(-c2ccccc2)n1)c1cnccc1Cl ZINC001192854738 1135066944 /nfs/dbraw/zinc/06/69/44/1135066944.db2.gz GIOJBGHUWWQLLX-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM O=C(N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1)c1cc(F)c([O-])cc1F ZINC001192888323 1135068677 /nfs/dbraw/zinc/06/86/77/1135068677.db2.gz VHSUZHCMKSTTCE-PRSFTHDCSA-N -1 0 343.373 3.983 20 0 EHADRM O=C(Nc1ccccc1-c1ccncc1)c1cc(F)c([O-])cc1F ZINC001192879260 1135074598 /nfs/dbraw/zinc/07/45/98/1135074598.db2.gz DCBYPHHKLWLJLT-UHFFFAOYSA-N -1 0 326.302 3.985 20 0 EHADRM O=C(c1ccc(F)c([O-])c1F)N1CCC2(C=Cc3ccccc32)CC1 ZINC001193771042 1135177887 /nfs/dbraw/zinc/17/78/87/1135177887.db2.gz YXQFBXZAEMFZAZ-UHFFFAOYSA-N -1 0 341.357 3.871 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(F)c([O-])c2F)cc1OC(F)F ZINC001193789191 1135181377 /nfs/dbraw/zinc/18/13/77/1135181377.db2.gz MDZRNJMLIHVLJI-UHFFFAOYSA-N -1 0 329.249 3.833 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnc(Cl)nc2C)c2ccccc12 ZINC001193834376 1135190782 /nfs/dbraw/zinc/19/07/82/1135190782.db2.gz ZJMGMPVMSKNKBD-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nc2)c2ccccc12 ZINC001193832981 1135191032 /nfs/dbraw/zinc/19/10/32/1135191032.db2.gz FVOHJHLZLQGQQF-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2ccc(CO)c(F)c2)c2ccccc12 ZINC001193861848 1135197498 /nfs/dbraw/zinc/19/74/98/1135197498.db2.gz JOHVCXWIDLSSSQ-UHFFFAOYSA-N -1 0 345.395 3.580 20 0 EHADRM CCCC[C@H](CC)COC(=O)Nc1ccc(S(=O)(=O)[O-])cc1 ZINC001193969159 1135207857 /nfs/dbraw/zinc/20/78/57/1135207857.db2.gz UZQSBUVCJJQVIP-LBPRGKRZSA-N -1 0 329.418 3.698 20 0 EHADRM O=S(=O)(Cc1noc2ccccc21)[N-]c1cccc(Cl)c1F ZINC001194092658 1135231748 /nfs/dbraw/zinc/23/17/48/1135231748.db2.gz ORSJCWOGEASLMD-UHFFFAOYSA-N -1 0 340.763 3.562 20 0 EHADRM CCc1cnc([N-]S(=O)(=O)c2ccc(-c3cccs3)cc2)cn1 ZINC001194142181 1135239880 /nfs/dbraw/zinc/23/98/80/1135239880.db2.gz PSYBSCLPYFIVKO-UHFFFAOYSA-N -1 0 345.449 3.568 20 0 EHADRM CCn1ncc([N-]S(=O)(=O)c2ccc3c(Cl)cccc3c2)c1C ZINC001194217652 1135246311 /nfs/dbraw/zinc/24/63/11/1135246311.db2.gz RMAVKUTUNKGION-UHFFFAOYSA-N -1 0 349.843 3.819 20 0 EHADRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)N[C@H]1C[C@H](C)c2ccccc21 ZINC001194277916 1135247563 /nfs/dbraw/zinc/24/75/63/1135247563.db2.gz UOUBQYWOXXJDQC-UGSOOPFHSA-N -1 0 347.418 3.865 20 0 EHADRM Cc1cc(C)nc([N-]S(=O)(=O)c2cccc3c(Cl)nccc32)c1 ZINC001194447088 1135275215 /nfs/dbraw/zinc/27/52/15/1135275215.db2.gz LTNKHXKJWFZYPM-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM Nc1cccc2c(Br)cn(-c3ccc(C(=O)[O-])cc3F)c21 ZINC001203299532 1135366929 /nfs/dbraw/zinc/36/69/29/1135366929.db2.gz PIJAZHKJKUXCBY-UHFFFAOYSA-N -1 0 349.159 3.813 20 0 EHADRM CC(C)(C)Cc1cc(NC(=O)c2c([O-])c(F)c(F)c(F)c2F)on1 ZINC001195277071 1135403711 /nfs/dbraw/zinc/40/37/11/1135403711.db2.gz AQSPNGGWVLRQGT-UHFFFAOYSA-N -1 0 346.280 3.778 20 0 EHADRM O=C(Nc1ccc2ccncc2c1)c1c([O-])c(F)c(F)c(F)c1F ZINC001195295427 1135408146 /nfs/dbraw/zinc/40/81/46/1135408146.db2.gz KEYSZVRPDOSICP-UHFFFAOYSA-N -1 0 336.244 3.749 20 0 EHADRM Cc1ccc(CCCNC(=O)c2c([O-])c(F)c(F)c(F)c2F)s1 ZINC001195302701 1135409817 /nfs/dbraw/zinc/40/98/17/1135409817.db2.gz JBOGQJUHJSWRKI-UHFFFAOYSA-N -1 0 347.333 3.681 20 0 EHADRM CC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cccc2Cl)c1 ZINC001195309993 1135412020 /nfs/dbraw/zinc/41/20/20/1135412020.db2.gz RGVUNHGJXMOINL-UHFFFAOYSA-N -1 0 337.828 3.960 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cccc2ccncc21 ZINC001195309782 1135412140 /nfs/dbraw/zinc/41/21/40/1135412140.db2.gz NNEVQGLDVXKQBX-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM CCOC(=O)NC(=S)Nc1cc(F)ccc1OC1CCCC1 ZINC001195492137 1135433096 /nfs/dbraw/zinc/43/30/96/1135433096.db2.gz COPONNNISATCOI-UHFFFAOYSA-N -1 0 326.393 3.590 20 0 EHADRM O=C(Nc1cnn(Cc2ccccc2)c1)c1cccc(Cl)c1[O-] ZINC000775665549 1135444135 /nfs/dbraw/zinc/44/41/35/1135444135.db2.gz RXNUMQRCBPWYCO-UHFFFAOYSA-N -1 0 327.771 3.543 20 0 EHADRM CC(=O)Nc1ccc(Cl)cc1NC(=O)c1cccc(Cl)c1[O-] ZINC000775679611 1135504362 /nfs/dbraw/zinc/50/43/62/1135504362.db2.gz NIGQTLRBDBMQOM-UHFFFAOYSA-N -1 0 339.178 3.910 20 0 EHADRM CCC[C@H](C)NS(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001196106226 1135517601 /nfs/dbraw/zinc/51/76/01/1135517601.db2.gz WVSDLRZHUJVMBK-ZDUSSCGKSA-N -1 0 347.436 3.519 20 0 EHADRM O=C(N[C@H](c1ccccc1)c1ccncc1)c1cccc(Cl)c1[O-] ZINC000775712728 1135554565 /nfs/dbraw/zinc/55/45/65/1135554565.db2.gz CPIZXSGCKKLYLB-QGZVFWFLSA-N -1 0 338.794 3.960 20 0 EHADRM O=C(c1cc(Cl)c(F)cc1[O-])N1CCc2cc(F)c(F)cc2C1 ZINC001196466175 1135563960 /nfs/dbraw/zinc/56/39/60/1135563960.db2.gz FUPQVHAFBNSHJU-UHFFFAOYSA-N -1 0 341.716 3.661 20 0 EHADRM C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1n[n-]c2ccccc2c1=O ZINC000807885102 1135583211 /nfs/dbraw/zinc/58/32/11/1135583211.db2.gz DIPMBNJHUGLMJC-QWHCGFSZSA-N -1 0 327.428 3.622 20 0 EHADRM COc1ccc(F)c(S(=O)(=O)[N-]c2cccc(Cl)c2C)c1 ZINC001196719161 1135599654 /nfs/dbraw/zinc/59/96/54/1135599654.db2.gz MMYBVQUCXBZHLO-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM COc1cc(C)c(S(=O)(=O)Nc2c(C)ccnc2C(C)C)c(C)c1 ZINC001196857546 1135623732 /nfs/dbraw/zinc/62/37/32/1135623732.db2.gz YCOONBYDVLXOMF-UHFFFAOYSA-N -1 0 348.468 3.940 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N2CCC[C@H]2c2cccs2)cc1 ZINC001197096256 1135645246 /nfs/dbraw/zinc/64/52/46/1135645246.db2.gz WPNXCKLBSLLWAQ-ZDUSSCGKSA-N -1 0 332.450 3.980 20 0 EHADRM CCCN(Cc1ccccc1)C(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197096019 1135645440 /nfs/dbraw/zinc/64/54/40/1135645440.db2.gz QCDMLXCZWDDBTR-UHFFFAOYSA-N -1 0 328.437 3.994 20 0 EHADRM CC(C)(C)c1cc(NC(=S)Nc2ccc(C(=O)[O-])cc2)ccn1 ZINC001197076653 1135647425 /nfs/dbraw/zinc/64/74/25/1135647425.db2.gz LFCWEEHPEVFFET-UHFFFAOYSA-N -1 0 329.425 3.886 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N[C@@H](c2cccc(F)c2)C2CC2)cc1 ZINC001197140664 1135649335 /nfs/dbraw/zinc/64/93/35/1135649335.db2.gz WKNIWMNGIXGHSU-MRXNPFEDSA-N -1 0 344.411 3.962 20 0 EHADRM COc1cccc(Cl)c1NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197115653 1135651457 /nfs/dbraw/zinc/65/14/57/1135651457.db2.gz LFVSAYYHVAZVIX-UHFFFAOYSA-N -1 0 336.800 3.856 20 0 EHADRM COc1ccccc1C[C@H](C)N(C)C(=O)c1cccc(Cl)c1[O-] ZINC000775760809 1135656195 /nfs/dbraw/zinc/65/61/95/1135656195.db2.gz XQSYVFALVHMZFB-LBPRGKRZSA-N -1 0 333.815 3.757 20 0 EHADRM COc1cccc(CS(=O)(=O)[N-]c2nc3cc(C)ccc3s2)c1 ZINC001197345570 1135675838 /nfs/dbraw/zinc/67/58/38/1135675838.db2.gz ZGPDMCCQOCNOKK-UHFFFAOYSA-N -1 0 348.449 3.555 20 0 EHADRM COc1cc(Cl)cc(NS(=O)(=O)Cc2c(F)cccc2F)c1 ZINC001197602895 1135713748 /nfs/dbraw/zinc/71/37/48/1135713748.db2.gz IMKMZRXVLOUOQE-UHFFFAOYSA-N -1 0 347.770 3.569 20 0 EHADRM Cc1ccc2c(cccc2NS(=O)(=O)Cc2c(F)cccc2F)n1 ZINC001197603198 1135713878 /nfs/dbraw/zinc/71/38/78/1135713878.db2.gz NSAHYFLMDIJLOY-UHFFFAOYSA-N -1 0 348.374 3.763 20 0 EHADRM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1cccc(C(F)F)c1 ZINC001197822499 1135744211 /nfs/dbraw/zinc/74/42/11/1135744211.db2.gz HGJSMYWPUYHDTM-UHFFFAOYSA-N -1 0 329.306 3.768 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)c1 ZINC001198000499 1135760052 /nfs/dbraw/zinc/76/00/52/1135760052.db2.gz ZFQCVVHKONDDSM-UHFFFAOYSA-N -1 0 332.425 3.512 20 0 EHADRM CCC(CC)Oc1ccccc1[N-]S(=O)(=O)c1cc(C)ccn1 ZINC001198009440 1135761483 /nfs/dbraw/zinc/76/14/83/1135761483.db2.gz LHHWSDDPFYFABJ-UHFFFAOYSA-N -1 0 334.441 3.758 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2C)c1 ZINC001197997444 1135764607 /nfs/dbraw/zinc/76/46/07/1135764607.db2.gz GNDKCBZMPJEWNM-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM O=C(N[C@H](c1ccccc1)[C@H]1CCOC1)c1cccc(Cl)c1[O-] ZINC000775815869 1135770696 /nfs/dbraw/zinc/77/06/96/1135770696.db2.gz SPXWMOTXCSHUSK-XJKSGUPXSA-N -1 0 331.799 3.553 20 0 EHADRM Cc1ncc(S(=O)(=O)[N-]c2cc(-c3ccccc3)ccc2C)n1C ZINC001198399135 1135810548 /nfs/dbraw/zinc/81/05/48/1135810548.db2.gz XPDSXAKZBVTXTN-UHFFFAOYSA-N -1 0 341.436 3.505 20 0 EHADRM O=S(=O)([N-]c1cncc(F)c1)c1ccccc1Oc1ccccc1 ZINC001198442578 1135820733 /nfs/dbraw/zinc/82/07/33/1135820733.db2.gz BOTFTVWRUKKQRE-UHFFFAOYSA-N -1 0 344.367 3.814 20 0 EHADRM CC(C)(C)c1csc([N-]S(=O)(=O)c2ccc3occc3c2)n1 ZINC001198817136 1135859725 /nfs/dbraw/zinc/85/97/25/1135859725.db2.gz XNFGRVZJIFIITC-UHFFFAOYSA-N -1 0 336.438 3.988 20 0 EHADRM COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2[S-])c(C)c1 ZINC001198939950 1135868152 /nfs/dbraw/zinc/86/81/52/1135868152.db2.gz OQJBLPFPUUKFOJ-UHFFFAOYSA-N -1 0 343.857 3.747 20 0 EHADRM O=C([N-]c1noc2cnccc21)c1cc(-c2cccc(Cl)c2)no1 ZINC001199311225 1135895134 /nfs/dbraw/zinc/89/51/34/1135895134.db2.gz DAIQICOZHBSFLI-UHFFFAOYSA-N -1 0 340.726 3.784 20 0 EHADRM Cc1c(Cl)cc(NC(=O)c2cccc(N(C)C)n2)c([O-])c1Cl ZINC001199790231 1135929999 /nfs/dbraw/zinc/92/99/99/1135929999.db2.gz JUELJLKSLRFQSO-UHFFFAOYSA-N -1 0 340.210 3.721 20 0 EHADRM COc1ccc(C(=O)CSc2ccc(C)s2)c2occ([O-])c21 ZINC000830057655 1135956063 /nfs/dbraw/zinc/95/60/63/1135956063.db2.gz UOKYKZKOLFYTMF-UHFFFAOYSA-N -1 0 334.418 3.615 20 0 EHADRM CCCOc1ccc([C@H](C)N=c2nc(C(C)(C)C)o[n-]2)cc1OC ZINC000543694781 1135957791 /nfs/dbraw/zinc/95/77/91/1135957791.db2.gz CHGYHOLXVKETPX-LBPRGKRZSA-N -1 0 333.432 3.760 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1ccoc1C(F)(F)F ZINC000810559031 1135972467 /nfs/dbraw/zinc/97/24/67/1135972467.db2.gz JSQOGFLZJRQGIF-UHFFFAOYSA-N -1 0 328.271 3.981 20 0 EHADRM CC(C)(C)NS(=O)(=O)c1cccc(Nc2ccccc2[S-])c1 ZINC001201239397 1135997924 /nfs/dbraw/zinc/99/79/24/1135997924.db2.gz INMXIFDBFHZSSK-UHFFFAOYSA-N -1 0 336.482 3.796 20 0 EHADRM CCc1cccnc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1F ZINC001201251125 1135999308 /nfs/dbraw/zinc/99/93/08/1135999308.db2.gz BKLUSPDGPIQBII-UHFFFAOYSA-N -1 0 349.214 3.891 20 0 EHADRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1cccc(OC(C)C)c1 ZINC001201755714 1136059962 /nfs/dbraw/zinc/05/99/62/1136059962.db2.gz BFEXBMRWOZZXEW-UHFFFAOYSA-N -1 0 346.861 3.693 20 0 EHADRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1cc2c(s1)CCCC2 ZINC001201735987 1136062978 /nfs/dbraw/zinc/06/29/78/1136062978.db2.gz MEJLYSXOWJXYIX-UHFFFAOYSA-N -1 0 348.902 3.846 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)ncc1C ZINC001201795602 1136063606 /nfs/dbraw/zinc/06/36/06/1136063606.db2.gz RKGHONFZMVCZLV-UHFFFAOYSA-N -1 0 348.468 3.742 20 0 EHADRM CCCn1ccc2cc([N-]S(=O)(=O)c3cccnc3Cl)ccc21 ZINC000747692853 1136073345 /nfs/dbraw/zinc/07/33/45/1136073345.db2.gz RUXSJRSKTLAIJL-UHFFFAOYSA-N -1 0 349.843 3.901 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000811607035 1136112024 /nfs/dbraw/zinc/11/20/24/1136112024.db2.gz BUXMZFQBVOKRSF-LJQANCHMSA-N -1 0 343.810 3.656 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)NCCOC2CCCCCC2)c1 ZINC000811816723 1136144822 /nfs/dbraw/zinc/14/48/22/1136144822.db2.gz GDYBTTFANCGPLE-UHFFFAOYSA-N -1 0 339.819 3.507 20 0 EHADRM Cc1ccc(NC(=O)Nc2ccc(S(=O)(=O)[O-])cc2Cl)cc1 ZINC001202433088 1136148106 /nfs/dbraw/zinc/14/81/06/1136148106.db2.gz UPYVOSWGTBZXNZ-UHFFFAOYSA-N -1 0 340.788 3.539 20 0 EHADRM CC(C)(C(=O)[N-]OC/C=C/Cl)c1cccc(Br)c1 ZINC000812400170 1136201330 /nfs/dbraw/zinc/20/13/30/1136201330.db2.gz GLILUOAVZBUWOX-QPJJXVBHSA-N -1 0 332.625 3.527 20 0 EHADRM CC(C)(C(=O)[N-]OC/C=C\Cl)c1ccccc1Br ZINC000812403827 1136202062 /nfs/dbraw/zinc/20/20/62/1136202062.db2.gz XFFHZYBPSIFGEU-YVMONPNESA-N -1 0 332.625 3.527 20 0 EHADRM O=C(COc1ccc(Cl)c2ccccc12)[N-]OC/C=C\Cl ZINC000812402559 1136202247 /nfs/dbraw/zinc/20/22/47/1136202247.db2.gz GIEKCMGJHQWKBE-BAQGIRSFSA-N -1 0 326.179 3.672 20 0 EHADRM C[C@@H](Sc1nc2ccccc2s1)C(=O)[N-]OC/C=C\Cl ZINC000812408016 1136209084 /nfs/dbraw/zinc/20/90/84/1136209084.db2.gz LVIAPWLJJNJOPO-WQAKUFEDSA-N -1 0 328.846 3.577 20 0 EHADRM CC(C)(NC(=O)c1cccc(Cl)c1[O-])c1ccc(F)cc1F ZINC001133554704 1136278712 /nfs/dbraw/zinc/27/87/12/1136278712.db2.gz MLJQPTKSCGRMCQ-UHFFFAOYSA-N -1 0 325.742 3.989 20 0 EHADRM Cc1ccc(CC(=O)NOCc2cc(-c3ccc(F)cc3)no2)cc1 ZINC000747832409 1136279783 /nfs/dbraw/zinc/27/97/83/1136279783.db2.gz SHZXBQAZXVTINP-UHFFFAOYSA-N -1 0 340.354 3.580 20 0 EHADRM O=C([N-]S(=O)(=O)c1csc2ccccc21)[C@@H]1CCCC2(CC2)C1 ZINC000851017679 1136328921 /nfs/dbraw/zinc/32/89/21/1136328921.db2.gz FIOFMXKULBYEKC-GFCCVEGCSA-N -1 0 349.477 3.677 20 0 EHADRM C[C@H](CN(C(=O)c1cccc(Cl)c1[O-])[C@@H](C)CO)c1ccccc1 ZINC000813671386 1136355198 /nfs/dbraw/zinc/35/51/98/1136355198.db2.gz MEAIPNBABNITAR-KGLIPLIRSA-N -1 0 347.842 3.672 20 0 EHADRM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)CSc1n[n-]c(=S)s1 ZINC000813783542 1136361913 /nfs/dbraw/zinc/36/19/13/1136361913.db2.gz CCRWMFVSHBARDQ-NXEZZACHSA-N -1 0 345.559 3.592 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H](C)CC1CCCC1 ZINC000814017566 1136386670 /nfs/dbraw/zinc/38/66/70/1136386670.db2.gz ZLJAWUBLBSQBOT-YOEHRIQHSA-N -1 0 337.485 3.800 20 0 EHADRM CCCC(CCC)C(=O)[N-]S(=O)(=O)[C@H](CC)c1ccccc1 ZINC000814018531 1136386771 /nfs/dbraw/zinc/38/67/71/1136386771.db2.gz NRXAYVJRGVPKQW-MRXNPFEDSA-N -1 0 325.474 3.800 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000814015472 1136386782 /nfs/dbraw/zinc/38/67/82/1136386782.db2.gz XEWFPYBXRULWOQ-BFYDXBDKSA-N -1 0 337.485 3.800 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)o1 ZINC000851593922 1136394813 /nfs/dbraw/zinc/39/48/13/1136394813.db2.gz DRLACNWISZVSNN-KYYFRIAHSA-N -1 0 339.391 3.834 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851593680 1136394964 /nfs/dbraw/zinc/39/49/64/1136394964.db2.gz AODYONLBBYJBBK-HCYCVZQXSA-N -1 0 341.407 3.864 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[C@@H](c2ccccc2)CC1 ZINC000851597395 1136395410 /nfs/dbraw/zinc/39/54/10/1136395410.db2.gz XPOCASAYFRVRRX-OAHLLOKOSA-N -1 0 327.380 3.696 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)o1 ZINC000851596843 1136395463 /nfs/dbraw/zinc/39/54/63/1136395463.db2.gz XZCZWAABXYXDFX-BENRWUELSA-N -1 0 341.363 3.951 20 0 EHADRM Cc1cccc(C[C@H](CNC(=O)c2ccccc2C(C)C)C(=O)[O-])c1 ZINC000851600483 1136395810 /nfs/dbraw/zinc/39/58/10/1136395810.db2.gz VGGHKGVJIMHWDP-QGZVFWFLSA-N -1 0 339.435 3.792 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2ccc(/C=C\C(=O)[O-])o2)C1 ZINC000851603648 1136395945 /nfs/dbraw/zinc/39/59/45/1136395945.db2.gz CQOGKKTZAJIOFH-WJEOVAELSA-N -1 0 343.354 3.740 20 0 EHADRM C[C@@H]1N(C(=O)c2ccc(/C=C\C(=O)[O-])o2)c2ccccc2C1(C)C ZINC000851621433 1136396569 /nfs/dbraw/zinc/39/65/69/1136396569.db2.gz SRYUWQSWVQJJFF-MMRAYRKESA-N -1 0 325.364 3.704 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N[C@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000851625036 1136396928 /nfs/dbraw/zinc/39/69/28/1136396928.db2.gz QSVWVKGNCKIFOV-KBXCAEBGSA-N -1 0 347.436 3.669 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)c(C)o1 ZINC000776565957 1136435345 /nfs/dbraw/zinc/43/53/45/1136435345.db2.gz GLDFJAFMOIJQGD-RISCZKNCSA-N -1 0 341.473 3.554 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)CCC1 ZINC000852949349 1136493764 /nfs/dbraw/zinc/49/37/64/1136493764.db2.gz AACPTVGEDQJPBY-UHFFFAOYSA-N -1 0 336.819 3.524 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000776630988 1136493841 /nfs/dbraw/zinc/49/38/41/1136493841.db2.gz DPLAMLSPWUCWLL-GWRMTQHOSA-N -1 0 325.339 3.966 20 0 EHADRM COc1cccc([C@H](C)CC(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC000776632023 1136494403 /nfs/dbraw/zinc/49/44/03/1136494403.db2.gz SMEVZBCWUVYEAG-KOTGUFOOSA-N -1 0 339.391 3.925 20 0 EHADRM Cc1ccccc1CCC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000776653874 1136523375 /nfs/dbraw/zinc/52/33/75/1136523375.db2.gz IURNAHZEYDWQJM-KRWDZBQOSA-N -1 0 347.361 3.538 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2F)c(C)c1 ZINC000776659846 1136529525 /nfs/dbraw/zinc/52/95/25/1136529525.db2.gz RWXMFQBFEIMIHP-INIZCTEOSA-N -1 0 333.334 3.527 20 0 EHADRM CCCCC[C@@H](NC(=O)CCc1ccc(-c2ccccc2)[nH]1)C(=O)[O-] ZINC000776660834 1136529992 /nfs/dbraw/zinc/52/99/92/1136529992.db2.gz BRXTVHVGJAHJKM-GOSISDBHSA-N -1 0 342.439 3.764 20 0 EHADRM O=C(NC[C@@H]1CCCCC1(F)F)c1ccc2oc(=S)[n-]c2c1 ZINC000854687761 1136636985 /nfs/dbraw/zinc/63/69/85/1136636985.db2.gz JJAYYINYQIMUKR-JTQLQIEISA-N -1 0 326.368 3.672 20 0 EHADRM C[C@]1(CCNC(=O)c2ccc3oc(=S)[n-]c3c2)CC1(Cl)Cl ZINC000854843100 1136647661 /nfs/dbraw/zinc/64/76/61/1136647661.db2.gz RZIHPRMFEYQKQU-ZDUSSCGKSA-N -1 0 345.251 3.820 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H]1C[C@@]1(C)C(C)C ZINC000816108860 1136677298 /nfs/dbraw/zinc/67/72/98/1136677298.db2.gz PVEMANUQVYMFSK-NUJGCVRESA-N -1 0 337.485 3.512 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](C)C1 ZINC000816109222 1136677622 /nfs/dbraw/zinc/67/76/22/1136677622.db2.gz XNAJRQQSSFAXAK-PVAVHDDUSA-N -1 0 337.485 3.656 20 0 EHADRM C[C@@H](NC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])c1ccccc1 ZINC001135441193 1136689769 /nfs/dbraw/zinc/68/97/69/1136689769.db2.gz QUOQRLLZSRHHSD-CYBMUJFWSA-N -1 0 335.359 3.956 20 0 EHADRM Cc1cccc(C)c1CS(=O)(=O)[N-]C(=O)CCCC1CCCC1 ZINC000816334570 1136701105 /nfs/dbraw/zinc/70/11/05/1136701105.db2.gz DPAZIZHCGSANLN-UHFFFAOYSA-N -1 0 337.485 3.610 20 0 EHADRM COc1cccc([C@@]2(C)CCN(C(=O)c3cccc(Cl)c3[O-])C2)c1 ZINC000855839879 1136734008 /nfs/dbraw/zinc/73/40/08/1136734008.db2.gz YVOCGKGFADOAPO-IBGZPJMESA-N -1 0 345.826 3.858 20 0 EHADRM C[C@@H](CCc1ccccc1)NC(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000816818978 1136757717 /nfs/dbraw/zinc/75/77/17/1136757717.db2.gz QNWSPMWIRUEAQS-LBPRGKRZSA-N -1 0 326.421 3.868 20 0 EHADRM CC(C)(C)c1nnc(NC(=O)c2ccc3oc(=S)[n-]c3c2)s1 ZINC000816896005 1136762298 /nfs/dbraw/zinc/76/22/98/1136762298.db2.gz ZCVFTPQCCYDKLB-UHFFFAOYSA-N -1 0 334.426 3.518 20 0 EHADRM CCN(CC)c1ccc(NC(=O)c2ccc3oc(=S)[n-]c3c2)cn1 ZINC000816885595 1136763561 /nfs/dbraw/zinc/76/35/61/1136763561.db2.gz DHKRQISUOIKBRK-UHFFFAOYSA-N -1 0 342.424 3.610 20 0 EHADRM CC[C@@H](C)CO[N-]C(=O)CN(C(=O)OC(C)(C)C)c1ccccc1 ZINC000816978849 1136769071 /nfs/dbraw/zinc/76/90/71/1136769071.db2.gz CJHSEUXEOHXFNX-CQSZACIVSA-N -1 0 336.432 3.522 20 0 EHADRM CC(C)(NC(=O)c1ccc2[n-]c(=S)oc2c1)c1ccccc1F ZINC000817039607 1136773317 /nfs/dbraw/zinc/77/33/17/1136773317.db2.gz FNARCULRZYHRMT-UHFFFAOYSA-N -1 0 330.384 3.921 20 0 EHADRM CCCCc1ccc([C@H](NC(=O)c2c[n-]ncc2=O)C(C)C)cc1 ZINC001135881623 1136793647 /nfs/dbraw/zinc/79/36/47/1136793647.db2.gz XISNABPZFADFMY-GOSISDBHSA-N -1 0 327.428 3.652 20 0 EHADRM O=C(Cn1c2ccccc2nc1C1CCCCC1)[N-]OCC1CC1 ZINC000817357940 1136798200 /nfs/dbraw/zinc/79/82/00/1136798200.db2.gz MRMPYYGZVCEZAT-UHFFFAOYSA-N -1 0 327.428 3.542 20 0 EHADRM C/C(=C\C(=O)N1CCC([C@H](CC(=O)[O-])c2ccccc2)CC1)C1CC1 ZINC000856929839 1136825344 /nfs/dbraw/zinc/82/53/44/1136825344.db2.gz YWFOKHQAPOMGQB-OCKXMSAZSA-N -1 0 341.451 3.840 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2sccc2-c2ccc(F)cc2)C1 ZINC000817873756 1136843007 /nfs/dbraw/zinc/84/30/07/1136843007.db2.gz JKBDFNJAPGDJQE-DGCLKSJQSA-N -1 0 347.411 3.737 20 0 EHADRM Cc1ccc(NC(=O)c2cc(F)cc(F)c2[O-])cc1Br ZINC001136147791 1136879843 /nfs/dbraw/zinc/87/98/43/1136879843.db2.gz RWTMTOAZITXJDU-UHFFFAOYSA-N -1 0 342.139 3.994 20 0 EHADRM COc1ccc(Cl)cc1C(C)(C)[N-]C(=O)C(F)(F)C(F)F ZINC000857544684 1136881805 /nfs/dbraw/zinc/88/18/05/1136881805.db2.gz MLUKOTXPAQFXTE-UHFFFAOYSA-N -1 0 327.705 3.600 20 0 EHADRM C[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])[C@H]1C ZINC000820242860 1136983695 /nfs/dbraw/zinc/98/36/95/1136983695.db2.gz ZFWTVVHCODOYJT-OLZOCXBDSA-N -1 0 327.380 3.725 20 0 EHADRM Cc1cnc(C(=O)Nc2ccc3nc(C4CC4)sc3c2)c([O-])c1 ZINC001136437913 1137024501 /nfs/dbraw/zinc/02/45/01/1137024501.db2.gz WKINLIGHIMSXRX-UHFFFAOYSA-N -1 0 325.393 3.835 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])C[C@H]1C ZINC000821454795 1137028145 /nfs/dbraw/zinc/02/81/45/1137028145.db2.gz XXJBMUXGPUGEIH-QWHCGFSZSA-N -1 0 327.380 3.583 20 0 EHADRM CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000821540473 1137031312 /nfs/dbraw/zinc/03/13/12/1137031312.db2.gz GXYNODDJIQESMH-TZMCWYRMSA-N -1 0 327.380 3.868 20 0 EHADRM CC(C)(C)n1c(NC(=O)c2c([O-])cccc2F)nc2ccccc21 ZINC001136555446 1137052179 /nfs/dbraw/zinc/05/21/79/1137052179.db2.gz QDHNSJNGQMMLJF-UHFFFAOYSA-N -1 0 327.359 3.888 20 0 EHADRM CCN(C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])[C@@H](C)C(C)C ZINC000823010569 1137083306 /nfs/dbraw/zinc/08/33/06/1137083306.db2.gz UGWNYNORONIGNA-ZDUSSCGKSA-N -1 0 329.396 3.971 20 0 EHADRM CC1(CC(F)F)CN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])C1 ZINC000824021849 1137123206 /nfs/dbraw/zinc/12/32/06/1137123206.db2.gz RRVWLRKLCOBXQJ-UHFFFAOYSA-N -1 0 349.333 3.582 20 0 EHADRM Cc1ccccc1[C@H]1CN(C(=O)c2ccc(Cl)c([O-])c2)[C@@H](C)CO1 ZINC001136831882 1137127349 /nfs/dbraw/zinc/12/73/49/1137127349.db2.gz VHRGEVOMIROFHY-SCLBCKFNSA-N -1 0 345.826 3.956 20 0 EHADRM O=C(Nc1cnc(-c2ccccc2)nc1)c1ccc2[n-]c(=S)oc2c1 ZINC000118765628 1137131281 /nfs/dbraw/zinc/13/12/81/1137131281.db2.gz IHBWKODKPYNSRL-UHFFFAOYSA-N -1 0 348.387 3.826 20 0 EHADRM CCn1cnc(S(=O)(=O)[N-]c2ccc(SC(C)(C)C)cc2)c1 ZINC000753086372 1137172072 /nfs/dbraw/zinc/17/20/72/1137172072.db2.gz YKTYWFWWXHJYTO-UHFFFAOYSA-N -1 0 339.486 3.594 20 0 EHADRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)/C=C\C1CCCCCC1 ZINC000844311099 1137208504 /nfs/dbraw/zinc/20/85/04/1137208504.db2.gz YBSVVYSDZCLFDS-HJWRWDBZSA-N -1 0 345.468 3.882 20 0 EHADRM C[C@@H]1CCN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)[C@@H](c2ccco2)C1 ZINC000864113250 1137215734 /nfs/dbraw/zinc/21/57/34/1137215734.db2.gz NTQIKUPCNVZDJA-RCOIXESOSA-N -1 0 329.352 3.584 20 0 EHADRM CCO[C@@H](C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C)C1CCCC1 ZINC000864115094 1137215831 /nfs/dbraw/zinc/21/58/31/1137215831.db2.gz LLJCJCFAKWKDTR-QGZVFWFLSA-N -1 0 349.427 3.706 20 0 EHADRM C[C@@H]1CCN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)[C@H](c2ccco2)C1 ZINC000864113247 1137215848 /nfs/dbraw/zinc/21/58/48/1137215848.db2.gz NTQIKUPCNVZDJA-FROLJDDGSA-N -1 0 329.352 3.584 20 0 EHADRM O=C([O-])c1cc(NC(=O)C2([C@@H]3CCCCO3)CCC2)ccc1Cl ZINC000864121662 1137215964 /nfs/dbraw/zinc/21/59/64/1137215964.db2.gz LJCRIKLIVODPBP-AWEZNQCLSA-N -1 0 337.803 3.716 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1)c1ccco1 ZINC000864126038 1137216286 /nfs/dbraw/zinc/21/62/86/1137216286.db2.gz DHGWCNIRFIKDMH-FZMZJTMJSA-N -1 0 335.787 3.759 20 0 EHADRM CCc1cccc2[nH]c(C(=O)N3CCCC[C@@H]3CCC(=O)[O-])cc21 ZINC000864132314 1137216769 /nfs/dbraw/zinc/21/67/69/1137216769.db2.gz PDWGDKQUAIFBRZ-CQSZACIVSA-N -1 0 328.412 3.590 20 0 EHADRM CC1(c2ccccc2)CCN(C(=O)/C=C\c2cc(C(=O)[O-])co2)CC1 ZINC000864134317 1137216801 /nfs/dbraw/zinc/21/68/01/1137216801.db2.gz VAKQYHXGEMZDGC-FPLPWBNLSA-N -1 0 339.391 3.571 20 0 EHADRM Cc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000864143255 1137217172 /nfs/dbraw/zinc/21/71/72/1137217172.db2.gz AALQGROMISEVEK-OAHLLOKOSA-N -1 0 325.408 3.705 20 0 EHADRM CCC(F)(F)C(C)(C)CNC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000864172484 1137217541 /nfs/dbraw/zinc/21/75/41/1137217541.db2.gz WCIQULWEQGYYLZ-UHFFFAOYSA-N -1 0 333.762 3.840 20 0 EHADRM O=C([O-])C1=CC[C@@H](NC(=O)C[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000864165601 1137217619 /nfs/dbraw/zinc/21/76/19/1137217619.db2.gz PHYSMBXMXSAHML-VQTJNVASSA-N -1 0 349.430 3.693 20 0 EHADRM O=C([O-])C1=CC[C@H](NC(=O)CCCc2csc3ccccc23)C1 ZINC000864166442 1137217675 /nfs/dbraw/zinc/21/76/75/1137217675.db2.gz WULAOGLXTFLJBL-AWEZNQCLSA-N -1 0 329.421 3.514 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)/C=C\c2ccc(Cl)s2)[C@@H]2CCC[C@H]21 ZINC000864174516 1137217934 /nfs/dbraw/zinc/21/79/34/1137217934.db2.gz GJGVPFVHUGJSOR-AXSLOVRESA-N -1 0 339.844 3.517 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)c2ccc(/C=C\C(=O)[O-])o2)c(C)c1 ZINC000864177833 1137217963 /nfs/dbraw/zinc/21/79/63/1137217963.db2.gz MZVRLKJLDLFDIC-YHAOYDPOSA-N -1 0 327.380 3.827 20 0 EHADRM CCCCCCOc1ccc(C(=O)N[C@@H]2C[C@H]3C[C@@]3(C(=O)[O-])C2)cc1 ZINC000864208429 1137218893 /nfs/dbraw/zinc/21/88/93/1137218893.db2.gz BVXWEWDYLZALSI-RZQQEMMASA-N -1 0 345.439 3.629 20 0 EHADRM Cc1oc(-c2ccccc2)cc1C(=O)N[C@@](C)(CC(=O)[O-])C1CC1 ZINC000864201335 1137218910 /nfs/dbraw/zinc/21/89/10/1137218910.db2.gz SINVHTSGHCDCTK-IBGZPJMESA-N -1 0 327.380 3.628 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)C2[C@@H]3CCCCCC[C@@H]23)c2ccccc21 ZINC000864229741 1137219445 /nfs/dbraw/zinc/21/94/45/1137219445.db2.gz ZYKCNVHQONRRHC-FVQBIDKESA-N -1 0 327.424 3.808 20 0 EHADRM COc1cc(C)cc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c1C ZINC000864227649 1137219447 /nfs/dbraw/zinc/21/94/47/1137219447.db2.gz HLAWOHMCKKRRBO-CQSZACIVSA-N -1 0 339.391 3.531 20 0 EHADRM C[C@H]1Cc2cc(-c3ccc([S@](=O)CCCC(=O)[O-])cc3)ccc2O1 ZINC000864610557 1137236491 /nfs/dbraw/zinc/23/64/91/1137236491.db2.gz QGODNODDADJFBR-RKNYENMMSA-N -1 0 344.432 3.649 20 0 EHADRM COCC[C@H](Cc1cccc(-c2ccc3nccnc3c2)c1)C(=O)[O-] ZINC000864612842 1137236698 /nfs/dbraw/zinc/23/66/98/1137236698.db2.gz GPBWOSGSFZVFGS-QGZVFWFLSA-N -1 0 336.391 3.577 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)/C=C\C2CCCCCC2)sc1C(=O)[O-] ZINC000846117370 1137334181 /nfs/dbraw/zinc/33/41/81/1137334181.db2.gz CGFGVFUZWCJOGH-ZWLSGLHFSA-N -1 0 336.457 3.854 20 0 EHADRM Cc1ccc2c(c1)N(C(=O)c1ncc3ccccc3c1[O-])C[C@H](C)O2 ZINC001149148120 1137342956 /nfs/dbraw/zinc/34/29/56/1137342956.db2.gz NZBSBAHFIYTXPN-ZDUSSCGKSA-N -1 0 334.375 3.677 20 0 EHADRM COc1ccc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)c(Cl)c1 ZINC000846269735 1137344901 /nfs/dbraw/zinc/34/49/01/1137344901.db2.gz BVHJFAIOSGYFHN-INIZCTEOSA-N -1 0 331.799 3.533 20 0 EHADRM O=C(c1ccc(C(F)(F)F)cc1O)N1CCC[C@@]2(CC2(F)F)C1 ZINC000846579607 1137357504 /nfs/dbraw/zinc/35/75/04/1137357504.db2.gz VTDFVUJQVJKJTA-CYBMUJFWSA-N -1 0 335.272 3.672 20 0 EHADRM CC(C)(C)CC(C)(C)NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000846655934 1137360773 /nfs/dbraw/zinc/36/07/73/1137360773.db2.gz RENUHERJKCPLGX-UHFFFAOYSA-N -1 0 333.457 3.569 20 0 EHADRM O=C([O-])[C@@]1(C(=O)N2CCC[C@@H](c3ccccc3)CC2)CC=CCC1 ZINC000846708490 1137363257 /nfs/dbraw/zinc/36/32/57/1137363257.db2.gz RISTXCRDOAEXBL-XLIONFOSSA-N -1 0 327.424 3.594 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2C[C@@H](C)CCC[C@H]2C)n1 ZINC001147052750 1137399281 /nfs/dbraw/zinc/39/92/81/1137399281.db2.gz ZVDLOFCQQXLGPG-LSDHHAIUSA-N -1 0 341.455 3.791 20 0 EHADRM C[C@H](CCC(C)(C)C)NC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC001147199366 1137401869 /nfs/dbraw/zinc/40/18/69/1137401869.db2.gz XNFNLKBGDYZODD-GFCCVEGCSA-N -1 0 333.407 3.662 20 0 EHADRM COC(=O)Cc1ccc(Nc2c(Cl)c(F)[n-]c(=O)c2Cl)cc1 ZINC001212617487 1137416089 /nfs/dbraw/zinc/41/60/89/1137416089.db2.gz ISXBPFZCSFGWGZ-UHFFFAOYSA-N -1 0 345.157 3.692 20 0 EHADRM C[C@@H]1CN(C)c2ccccc2N(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC001148142950 1137418428 /nfs/dbraw/zinc/41/84/28/1137418428.db2.gz WCSSNDOJTYDMJQ-CQSZACIVSA-N -1 0 347.418 3.673 20 0 EHADRM CC(C)(C)OC(=O)c1ccccc1C(=O)Nc1ccc(F)c(O)c1 ZINC001148384363 1137423881 /nfs/dbraw/zinc/42/38/81/1137423881.db2.gz AWEZJHVLASUPLY-UHFFFAOYSA-N -1 0 331.343 3.739 20 0 EHADRM CC(C)Oc1ccc(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1 ZINC001148401253 1137424350 /nfs/dbraw/zinc/42/43/50/1137424350.db2.gz DZHWFMBBQSPZEW-UHFFFAOYSA-N -1 0 337.379 3.617 20 0 EHADRM O=C(N[C@H]1COCc2ccccc21)c1cc(Cl)cc(Cl)c1[O-] ZINC001148813826 1137435738 /nfs/dbraw/zinc/43/57/38/1137435738.db2.gz ITALRHYOHJNYCM-AWEZNQCLSA-N -1 0 338.190 3.700 20 0 EHADRM O=C(NCC1([C@@H]2CCCCO2)CCC1)c1ccc2[n-]c(=S)oc2c1 ZINC000871040998 1137519430 /nfs/dbraw/zinc/51/94/30/1137519430.db2.gz IDTFTBQCRCYWAV-HNNXBMFYSA-N -1 0 346.452 3.586 20 0 EHADRM O=C(Cc1csc(-c2ccccc2)n1)[N-]OCCCC(F)(F)F ZINC000871209967 1137527261 /nfs/dbraw/zinc/52/72/61/1137527261.db2.gz OAABUPAZQRGDSK-UHFFFAOYSA-N -1 0 344.358 3.743 20 0 EHADRM COc1cccc(C2(C(=O)[N-]OCCCC(F)(F)F)CCCC2)c1 ZINC000871213012 1137527533 /nfs/dbraw/zinc/52/75/33/1137527533.db2.gz IPDFAEYXBUWTIN-UHFFFAOYSA-N -1 0 345.361 3.897 20 0 EHADRM Cc1ccccc1[C@@H](NCc1ccc(CSC(F)F)o1)C(=O)[O-] ZINC000871882629 1137562393 /nfs/dbraw/zinc/56/23/93/1137562393.db2.gz ODADSNFOAJDBEK-CQSZACIVSA-N -1 0 341.379 3.959 20 0 EHADRM Cc1ccc(NCc2cnc([C@H]3CCCO3)s2)c(C)c1C(=O)[O-] ZINC000871885264 1137562467 /nfs/dbraw/zinc/56/24/67/1137562467.db2.gz SXAGJHPKGLLNGE-CQSZACIVSA-N -1 0 332.425 3.922 20 0 EHADRM Cc1c([N-]S(=O)(=O)Cc2cc(C)cc(C)c2)noc1C(C)(C)C ZINC000872007614 1137564339 /nfs/dbraw/zinc/56/43/39/1137564339.db2.gz UJWIUDNRUOTDMI-UHFFFAOYSA-N -1 0 336.457 3.839 20 0 EHADRM C[C@@H](CC(=O)N1CC[C@]2(C(=O)[O-])CCC[C@H]12)Cc1ccc(Cl)cc1 ZINC000872765918 1137584004 /nfs/dbraw/zinc/58/40/04/1137584004.db2.gz JNYHLENVTDERPC-ACWOFJMJSA-N -1 0 349.858 3.765 20 0 EHADRM C[C@H](CC(=O)N1CC[C@]2(C(=O)[O-])CCC[C@H]12)Cc1ccc(Cl)cc1 ZINC000872765919 1137584009 /nfs/dbraw/zinc/58/40/09/1137584009.db2.gz JNYHLENVTDERPC-IYJAJMOOSA-N -1 0 349.858 3.765 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])C(=O)Nc1ccc(OC)c(OC2CCCC2)c1 ZINC000872836166 1137585288 /nfs/dbraw/zinc/58/52/88/1137585288.db2.gz UMWDGDRKHPNMQX-IBGZPJMESA-N -1 0 349.427 3.846 20 0 EHADRM CC(C)C[C@H](NC(=O)C(C)(C)SCC(=O)[O-])c1cccs1 ZINC000872837746 1137585322 /nfs/dbraw/zinc/58/53/22/1137585322.db2.gz JWFJSLNZJRTNHL-NSHDSACASA-N -1 0 329.487 3.548 20 0 EHADRM O=C([O-])C1=C(C(=O)Nc2ccc(F)cc2OCC2CC2)CCCC1 ZINC000872846749 1137585468 /nfs/dbraw/zinc/58/54/68/1137585468.db2.gz FRVFUWQUKLPEMR-UHFFFAOYSA-N -1 0 333.359 3.508 20 0 EHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)C(C)(C)SCC(=O)[O-])o1 ZINC000872937068 1137586663 /nfs/dbraw/zinc/58/66/63/1137586663.db2.gz CQLGKTDIEGOFQI-ZDUSSCGKSA-N -1 0 339.457 3.628 20 0 EHADRM C[C@@H]1c2ccc(F)cc2CCN1C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000872951740 1137586888 /nfs/dbraw/zinc/58/68/88/1137586888.db2.gz CBISOQAFHDXVAQ-CYBMUJFWSA-N -1 0 333.403 3.697 20 0 EHADRM CCc1cccc2c(C3CCN(C(=O)CCCC(=O)[O-])CC3)c[nH]c21 ZINC000872968386 1137587190 /nfs/dbraw/zinc/58/71/90/1137587190.db2.gz LCQNPZAJDZWKDD-UHFFFAOYSA-N -1 0 342.439 3.691 20 0 EHADRM O=C([O-])C1=C(C(=O)N2CCC(OCC3CCCCC3)CC2)CCCC1 ZINC000872989310 1137587527 /nfs/dbraw/zinc/58/75/27/1137587527.db2.gz GFOHVLHMIFUDBV-UHFFFAOYSA-N -1 0 349.471 3.530 20 0 EHADRM CCC(CC)(CC(=O)N[C@@H](C)c1ccc(C(F)(F)F)nc1)C(=O)[O-] ZINC000873003725 1137587864 /nfs/dbraw/zinc/58/78/64/1137587864.db2.gz DWDHIAUTLNECKH-JTQLQIEISA-N -1 0 346.349 3.559 20 0 EHADRM CC[C@H](C)N(Cc1ccccc1)C(=O)NCc1ccccc1C(=O)[O-] ZINC000874409942 1137613747 /nfs/dbraw/zinc/61/37/47/1137613747.db2.gz DROQQJPXQQPNFV-HNNXBMFYSA-N -1 0 340.423 3.895 20 0 EHADRM CC(C)(C(=O)[N-]Oc1ccccc1F)c1cccc(C(F)(F)F)n1 ZINC000874910517 1137625976 /nfs/dbraw/zinc/62/59/76/1137625976.db2.gz YCBPDUNWZGURQT-UHFFFAOYSA-N -1 0 342.292 3.627 20 0 EHADRM O=Cc1ccc(-c2cccc(C(=O)Nc3ccc(C(=O)[O-])cc3)c2)o1 ZINC000874971652 1137627326 /nfs/dbraw/zinc/62/73/26/1137627326.db2.gz QKXLVXOJRVKLRC-UHFFFAOYSA-N -1 0 335.315 3.710 20 0 EHADRM CN(Cc1nnc(-c2ccccc2O)o1)[C@H]1CCCc2ccccc21 ZINC000877902478 1137694762 /nfs/dbraw/zinc/69/47/62/1137694762.db2.gz BAZUVOWWRUMHMD-KRWDZBQOSA-N -1 0 335.407 3.952 20 0 EHADRM O=C(NCc1cnc(-c2ccccc2)s1)c1cc(F)cc(F)c1[O-] ZINC001137148550 1137763108 /nfs/dbraw/zinc/76/31/08/1137763108.db2.gz KDDJNBBCKNJMBX-UHFFFAOYSA-N -1 0 346.358 3.724 20 0 EHADRM CC(C)c1ncsc1[N-]S(=O)(=O)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000882735812 1137832938 /nfs/dbraw/zinc/83/29/38/1137832938.db2.gz UZTNJFVCSSGQCF-STQMWFEESA-N -1 0 340.445 3.703 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)N(C)Cc2ccccc2F)cc1 ZINC000108066897 1137888615 /nfs/dbraw/zinc/88/86/15/1137888615.db2.gz DUHIRGHFGHQNPW-DEOSSOPVSA-N -1 0 347.455 3.715 20 0 EHADRM CCc1nc([N-]S(=O)(=O)/C=C\c2ccccc2F)sc1C ZINC000800027509 1137894813 /nfs/dbraw/zinc/89/48/13/1137894813.db2.gz BQXKICIIXNSCPX-HJWRWDBZSA-N -1 0 326.418 3.566 20 0 EHADRM CC(C)(C)[C@@H]([N-]S(=O)(=O)/C=C/c1ccccc1F)C(F)(F)F ZINC000800044360 1137895564 /nfs/dbraw/zinc/89/55/64/1137895564.db2.gz ZPSDWTLHNHPBDV-IDVQTMNDSA-N -1 0 339.354 3.693 20 0 EHADRM CC(C)N(CCc1nccs1)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000133594947 1137900982 /nfs/dbraw/zinc/90/09/82/1137900982.db2.gz BEODCDYWMJVVPQ-UHFFFAOYSA-N -1 0 347.465 3.666 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2CC[C@H](C)[C@@H]2c2cccc(F)c2)s1 ZINC000331607102 1137914341 /nfs/dbraw/zinc/91/43/41/1137914341.db2.gz VWFSGENGLJTNLN-XHDPSFHLSA-N -1 0 348.447 3.667 20 0 EHADRM C[C@@H](C1CCCCC1)N(C)C(=O)N=c1ncn(C2CCCCC2)[n-]1 ZINC000331710303 1137917854 /nfs/dbraw/zinc/91/78/54/1137917854.db2.gz YFOAHDNBYMFSOS-AWEZNQCLSA-N -1 0 333.480 3.638 20 0 EHADRM Cc1cc([C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2[O-])on1 ZINC000331818221 1137921980 /nfs/dbraw/zinc/92/19/80/1137921980.db2.gz LMLWGGMSRVHZGH-NSHDSACASA-N -1 0 341.194 3.973 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)N3CCC[C@@H]3CC(C)(C)C)cc2=O)cc1 ZINC000332152192 1137933614 /nfs/dbraw/zinc/93/36/14/1137933614.db2.gz OXZGEGIRERNDON-MRXNPFEDSA-N -1 0 341.455 3.515 20 0 EHADRM Cc1cc(Br)ccc1SCC(=O)[N-]OCC(C)C ZINC000135333987 1137966038 /nfs/dbraw/zinc/96/60/38/1137966038.db2.gz ZYZDPCKBBGVXGL-UHFFFAOYSA-N -1 0 332.263 3.553 20 0 EHADRM CCSCc1cccnc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000886444904 1138078722 /nfs/dbraw/zinc/07/87/22/1138078722.db2.gz OXFBLCXGXNXCAP-UHFFFAOYSA-N -1 0 336.482 3.752 20 0 EHADRM C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1ccc([O-])c(Cl)c1 ZINC000067177885 1138080078 /nfs/dbraw/zinc/08/00/78/1138080078.db2.gz DNAYCRCJPWBRKM-PXAZEXFGSA-N -1 0 331.799 3.648 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)NCc1cscc1Cl)c1ccsc1 ZINC000887319335 1138264512 /nfs/dbraw/zinc/26/45/12/1138264512.db2.gz RHRGJESOMWCVCI-CQSZACIVSA-N -1 0 343.857 3.512 20 0 EHADRM CC(F)(F)c1ccc(C(=O)N[C@H](CC(=O)[O-])C2CCCC2)cc1 ZINC000887328061 1138267310 /nfs/dbraw/zinc/26/73/10/1138267310.db2.gz JPNDNAUHBVWUHK-CQSZACIVSA-N -1 0 325.355 3.562 20 0 EHADRM O=C(c1ccc(C2CCCC2)cc1)N1CCCC[C@@H]1c1n[nH]c(=O)[n-]1 ZINC000333594468 1138309169 /nfs/dbraw/zinc/30/91/69/1138309169.db2.gz VOBBULNSANPESK-MRXNPFEDSA-N -1 0 340.427 3.535 20 0 EHADRM CSc1cccc(F)c1C(=O)N=c1[nH][n-]c(-c2ccc(C)o2)c1C ZINC000336962715 1138436174 /nfs/dbraw/zinc/43/61/74/1138436174.db2.gz FQDRQCBARFQWJR-UHFFFAOYSA-N -1 0 345.399 3.822 20 0 EHADRM CC(C)(C)Nc1ccccc1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000337131730 1138474232 /nfs/dbraw/zinc/47/42/32/1138474232.db2.gz AFNWEGFNBWTTAQ-UHFFFAOYSA-N -1 0 339.848 3.746 20 0 EHADRM CO[C@H](C)CS(=O)(=O)[N-]c1ccccc1Sc1ccccc1 ZINC000337746065 1138657662 /nfs/dbraw/zinc/65/76/62/1138657662.db2.gz GHVZUWONNXJOQP-CYBMUJFWSA-N -1 0 337.466 3.614 20 0 EHADRM CO[C@@H](C)CS(=O)(=O)[N-]c1cc(Cl)ccc1-c1ccc(C)o1 ZINC000337851663 1138682145 /nfs/dbraw/zinc/68/21/45/1138682145.db2.gz JLRXFPXIDGNHPY-NSHDSACASA-N -1 0 343.832 3.685 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@@H]2CCSc3ccc(Cl)cc32)s[n-]1 ZINC000337909893 1138696225 /nfs/dbraw/zinc/69/62/25/1138696225.db2.gz HDNLHGVTYGWTRJ-GZMMTYOYSA-N -1 0 341.889 3.970 20 0 EHADRM CCc1onc(C)c1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000134756825 1138703794 /nfs/dbraw/zinc/70/37/94/1138703794.db2.gz XRNIRHKUBPZHLZ-UHFFFAOYSA-N -1 0 335.212 3.653 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@@H](CC)c2ccccc2OCC)s1 ZINC000338247171 1138800103 /nfs/dbraw/zinc/80/01/03/1138800103.db2.gz LIQROZHJPKISCP-ZDUSSCGKSA-N -1 0 348.472 3.584 20 0 EHADRM C[C@H]1CC(CCNC(=O)CC2(CC(=O)[O-])CCCCC2)C[C@H](C)O1 ZINC000338411490 1138901311 /nfs/dbraw/zinc/90/13/11/1138901311.db2.gz POJSHAUVEDSJMD-GJZGRUSLSA-N -1 0 339.476 3.512 20 0 EHADRM CC(C)CCOC1CCN(C(=O)c2cc(F)cc(Cl)c2[O-])CC1 ZINC000178083109 1139668336 /nfs/dbraw/zinc/66/83/36/1139668336.db2.gz MOJIBYBHSWUNEL-UHFFFAOYSA-N -1 0 343.826 3.852 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCC(C(F)(F)F)CC1 ZINC000178462005 1139696808 /nfs/dbraw/zinc/69/68/08/1139696808.db2.gz BQUDBNODQDKEGK-UHFFFAOYSA-N -1 0 325.689 3.599 20 0 EHADRM COc1ccc(N(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)[C@@H](C)C2CC2)cc1 ZINC000179991597 1139798861 /nfs/dbraw/zinc/79/88/61/1139798861.db2.gz MRAFVUVASRHQLQ-BPUTZDHNSA-N -1 0 345.439 3.718 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)C2CCCCCCC2)c1Cl ZINC000777356516 1139820661 /nfs/dbraw/zinc/82/06/61/1139820661.db2.gz UZGCBMBDJDVWRO-UHFFFAOYSA-N -1 0 343.876 3.814 20 0 EHADRM C[C@H](CN(C)C(=O)c1cc(F)cc(Cl)c1[O-])c1nccs1 ZINC000182925239 1140002224 /nfs/dbraw/zinc/00/22/24/1140002224.db2.gz SACQEKZYWDUCQV-MRVPVSSYSA-N -1 0 328.796 3.517 20 0 EHADRM CCO[C@@H](CCNC(=O)c1cc(F)c(F)c([O-])c1F)C1CCCC1 ZINC000183007931 1140007589 /nfs/dbraw/zinc/00/75/89/1140007589.db2.gz DEPFUXBWNSZUPB-ZDUSSCGKSA-N -1 0 345.361 3.525 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000184543582 1140107781 /nfs/dbraw/zinc/10/77/81/1140107781.db2.gz MLWMPSFBQSPICJ-BBRMVZONSA-N -1 0 347.386 3.633 20 0 EHADRM CC(C)(C)OCc1cc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)no1 ZINC000186133358 1140188325 /nfs/dbraw/zinc/18/83/25/1140188325.db2.gz YGHGWWBAVRDUPK-UHFFFAOYSA-N -1 0 347.396 3.672 20 0 EHADRM O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1cc(F)c([O-])c(F)c1 ZINC000186697825 1140217337 /nfs/dbraw/zinc/21/73/37/1140217337.db2.gz UVNHZTPTUBSOCY-SCLBCKFNSA-N -1 0 347.361 3.568 20 0 EHADRM O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1cc(F)c([O-])c(F)c1 ZINC000186933277 1140229156 /nfs/dbraw/zinc/22/91/56/1140229156.db2.gz FDEHFPQBRUBQJW-SJCJKPOMSA-N -1 0 347.361 3.568 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(C)cc2F)cnn1C1CCCC1 ZINC000194226834 1140602668 /nfs/dbraw/zinc/60/26/68/1140602668.db2.gz REBKSHOBFRHCLO-UHFFFAOYSA-N -1 0 337.420 3.555 20 0 EHADRM O=C([O-])C1CCC(C(=O)N[C@H]2CCCC[C@H]2Cc2ccccc2)CC1 ZINC000194409986 1140608831 /nfs/dbraw/zinc/60/88/31/1140608831.db2.gz RULFFACSNWFVJM-BTRQGYIVSA-N -1 0 343.467 3.795 20 0 EHADRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)NCC1(C)CCCCC1 ZINC000268117764 1140886397 /nfs/dbraw/zinc/88/63/97/1140886397.db2.gz FEVQCVSKVYWYLN-UHFFFAOYSA-N -1 0 348.472 3.509 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C3CC3)[nH]n2)c1Cl ZINC000268502610 1140948902 /nfs/dbraw/zinc/94/89/02/1140948902.db2.gz SRGXJWFNWDUCSN-UHFFFAOYSA-N -1 0 346.239 3.703 20 0 EHADRM COc1cc(/C=C/c2nc(C(=O)[O-])c(C)s2)ccc1OC(F)F ZINC000339115375 1141501715 /nfs/dbraw/zinc/50/17/15/1141501715.db2.gz WJQWPXUUAIYUPE-GQCTYLIASA-N -1 0 341.335 3.930 20 0 EHADRM O=C(NCc1ncccc1O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000348707803 1141568425 /nfs/dbraw/zinc/56/84/25/1141568425.db2.gz VEDUBQLYNIEBPY-UHFFFAOYSA-N -1 0 340.408 3.596 20 0 EHADRM CCc1oc2ccccc2c1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[nH]1 ZINC000349106366 1141639900 /nfs/dbraw/zinc/63/99/00/1141639900.db2.gz IGHOMKPOIYOXAN-HJWRWDBZSA-N -1 0 338.363 3.597 20 0 EHADRM CN(C)C(=O)c1cccc(-c2cc(C(=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000065354384 214872781 /nfs/dbraw/zinc/87/27/81/214872781.db2.gz OQTUFDJLDGEDKG-UHFFFAOYSA-N -1 0 337.297 3.772 20 0 EHADRM Cc1c(NC(=O)c2nc(Cl)ccc2Cl)cccc1C(=O)[O-] ZINC000037985495 213184236 /nfs/dbraw/zinc/18/42/36/213184236.db2.gz UUOXKVCQRHIWHD-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM Cc1c(NC(=O)c2cnc(Cl)c(Cl)c2)cccc1C(=O)[O-] ZINC000037985496 213184618 /nfs/dbraw/zinc/18/46/18/213184618.db2.gz OHJGGLPIHNSONT-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM Cc1ccc(NC(=O)c2ccccc2Br)c(C(=O)[O-])c1 ZINC000019474289 212031300 /nfs/dbraw/zinc/03/13/00/212031300.db2.gz HRYZMNNPZOZYDC-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM O=C([O-])C1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 ZINC000013167071 211533082 /nfs/dbraw/zinc/53/30/82/211533082.db2.gz DPZDAZNLAOBFOH-UHFFFAOYSA-N -1 0 337.419 3.532 20 0 EHADRM C[C@@H](NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)c1c(F)cccc1F ZINC000298816374 525132444 /nfs/dbraw/zinc/13/24/44/525132444.db2.gz LVYOPJCZKDGWOA-BLVKFPJESA-N -1 0 347.361 3.575 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000299745710 563968034 /nfs/dbraw/zinc/96/80/34/563968034.db2.gz SAPQPCOXVMAPDF-SNVBAGLBSA-N -1 0 330.211 3.710 20 0 EHADRM Cc1ccc2c(Cl)c(C(=O)N[C@@H](C(=O)[O-])C(C)C)sc2c1 ZINC000676219015 599728858 /nfs/dbraw/zinc/72/88/58/599728858.db2.gz ZGPWXVJTCZNXIY-GFCCVEGCSA-N -1 0 325.817 3.702 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)C1 ZINC000570515713 597092915 /nfs/dbraw/zinc/09/29/15/597092915.db2.gz PXGZIDIULBQNSW-ZOCIIQOWSA-N -1 0 337.419 3.657 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2sccc2-c2ccccc2)C1 ZINC000390541136 597094963 /nfs/dbraw/zinc/09/49/63/597094963.db2.gz BNXOKFLCHRCBIW-ZDUSSCGKSA-N -1 0 329.421 3.742 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)CCCc2csc3ccccc23)C1 ZINC000533197199 597101956 /nfs/dbraw/zinc/10/19/56/597101956.db2.gz QHYZFMDIOLCABL-AWEZNQCLSA-N -1 0 345.464 3.937 20 0 EHADRM O=C([O-])Cc1cccc(NCc2cccc(OCc3ccccn3)c2)c1 ZINC000819579599 597138400 /nfs/dbraw/zinc/13/84/00/597138400.db2.gz HYWFMNFNSVRDCS-UHFFFAOYSA-N -1 0 348.402 3.900 20 0 EHADRM Cc1ccc(C[C@@H](C)N(C)C(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000738269401 597194380 /nfs/dbraw/zinc/19/43/80/597194380.db2.gz MWDGTGGBSZFVSX-OAHLLOKOSA-N -1 0 340.423 3.717 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)C1CC1 ZINC000738322182 597200298 /nfs/dbraw/zinc/20/02/98/597200298.db2.gz QEBVDFSPDZKOBN-IBGZPJMESA-N -1 0 338.407 3.895 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)NC1(C(=O)[O-])CCCC1 ZINC000780626021 597210415 /nfs/dbraw/zinc/21/04/15/597210415.db2.gz LHMDUNRXZPQZKU-UHFFFAOYSA-N -1 0 348.443 3.829 20 0 EHADRM O=C([O-])Cc1cccc(NCc2c[nH]nc2-c2c(F)cccc2F)c1 ZINC000819580017 597273415 /nfs/dbraw/zinc/27/34/15/597273415.db2.gz YPPISCWGINMLPC-UHFFFAOYSA-N -1 0 343.333 3.594 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000817853365 597318495 /nfs/dbraw/zinc/31/84/95/597318495.db2.gz MRNHICYSUPBSJI-QGZVFWFLSA-N -1 0 325.408 3.767 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000817853363 597318556 /nfs/dbraw/zinc/31/85/56/597318556.db2.gz MRNHICYSUPBSJI-KRWDZBQOSA-N -1 0 325.408 3.767 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N(Cc1ccco1)C1CCCC1 ZINC000819602924 597326549 /nfs/dbraw/zinc/32/65/49/597326549.db2.gz OQRJHOIKFITCDR-UHFFFAOYSA-N -1 0 342.395 3.883 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N1CCCC2(CCCCC2)C1 ZINC000819610802 597330340 /nfs/dbraw/zinc/33/03/40/597330340.db2.gz UVXBTHNBAUKIKC-UHFFFAOYSA-N -1 0 330.428 3.892 20 0 EHADRM Cc1cc(C)cc([C@@H](C)NC(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000818809124 597330471 /nfs/dbraw/zinc/33/04/71/597330471.db2.gz JWFMFEKNLQXCBK-CQSZACIVSA-N -1 0 326.396 3.813 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccccc1CC(=O)[O-])c1cc(F)ccc1F ZINC000818143790 597331691 /nfs/dbraw/zinc/33/16/91/597331691.db2.gz WLPIQGCHUMFBCW-OAHLLOKOSA-N -1 0 348.349 3.865 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2CC(=O)[O-])o1 ZINC000818885363 597333367 /nfs/dbraw/zinc/33/33/67/597333367.db2.gz QBSHTFFNAFJAOT-OAHLLOKOSA-N -1 0 328.368 3.584 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccccc2CC(=O)[O-])[C@@H]1c1ccccc1 ZINC000818080644 597336260 /nfs/dbraw/zinc/33/62/60/597336260.db2.gz WHKJTFVYTIEGQZ-GOSISDBHSA-N -1 0 338.407 3.929 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2cccc(OCc3ccccn3)c2)c1 ZINC000821550995 598137252 /nfs/dbraw/zinc/13/72/52/598137252.db2.gz WMPLVYWBRPVKAA-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM Cc1[nH]c(C(=O)N[C@@H]2CCCCc3ccccc32)c(C)c1C(=O)[O-] ZINC000738238554 599703100 /nfs/dbraw/zinc/70/31/00/599703100.db2.gz YKCDQWCLRFFNOJ-OAHLLOKOSA-N -1 0 326.396 3.527 20 0 EHADRM COc1ccc(C)cc1[C@H](C)NC(=O)c1ccccc1NC(=O)[O-] ZINC000737976091 599706280 /nfs/dbraw/zinc/70/62/80/599706280.db2.gz OHPSECUQSRCGEW-LBPRGKRZSA-N -1 0 328.368 3.585 20 0 EHADRM O=C([O-])NCCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000739947789 599714322 /nfs/dbraw/zinc/71/43/22/599714322.db2.gz LCFBGQPGNFWINR-UHFFFAOYSA-N -1 0 334.759 3.729 20 0 EHADRM COc1cccc([C@H](C)NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000738092630 599714765 /nfs/dbraw/zinc/71/47/65/599714765.db2.gz QSIDNVVXNZDQBU-JTQLQIEISA-N -1 0 347.346 3.807 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N(Cc2ccccn2)C2CC2)ccc1F ZINC000740004875 599717298 /nfs/dbraw/zinc/71/72/98/599717298.db2.gz ILNRLDWGUPWZKX-UHFFFAOYSA-N -1 0 344.346 3.507 20 0 EHADRM Cc1ccccc1CCNC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000738771069 599717333 /nfs/dbraw/zinc/71/73/33/599717333.db2.gz MOSMSSQQJADFAJ-UHFFFAOYSA-N -1 0 331.347 3.588 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N[C@H]2CCOc3ccccc32)ccc1F ZINC000740004499 599718046 /nfs/dbraw/zinc/71/80/46/599718046.db2.gz COYJKAMSRZIUJZ-ZDUSSCGKSA-N -1 0 345.330 3.561 20 0 EHADRM CCN(C(=O)CCCNC(=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000737052595 599718437 /nfs/dbraw/zinc/71/84/37/599718437.db2.gz MBJOQQOJUSWSFU-UHFFFAOYSA-N -1 0 340.423 3.672 20 0 EHADRM CN(CCCC(=O)Nc1ccc(Oc2cccc(F)c2)cc1)C(=O)[O-] ZINC000737429115 599737375 /nfs/dbraw/zinc/73/73/75/599737375.db2.gz BZKTUQXWGXEPDO-UHFFFAOYSA-N -1 0 346.358 3.947 20 0 EHADRM CCc1ccc([C@H](C)C(=O)Nc2ccc(OCC(=O)[O-])cc2C)cc1 ZINC000236973028 599745526 /nfs/dbraw/zinc/74/55/26/599745526.db2.gz NSWIQRURXUFGPS-AWEZNQCLSA-N -1 0 341.407 3.763 20 0 EHADRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)c1ccc2[nH]ccc2c1 ZINC000362515281 599753450 /nfs/dbraw/zinc/75/34/50/599753450.db2.gz FTCODLKOICYUOP-UHFFFAOYSA-N -1 0 342.782 3.548 20 0 EHADRM COc1ccc([C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(=O)[O-])cc1 ZINC000563728023 599754838 /nfs/dbraw/zinc/75/48/38/599754838.db2.gz ALOYWZVFPPYABO-KRWDZBQOSA-N -1 0 341.407 3.548 20 0 EHADRM CN(Cc1ccccc1-c1ccccc1)C(=O)CCSCC(=O)[O-] ZINC000737491603 599755972 /nfs/dbraw/zinc/75/59/72/599755972.db2.gz COHANRMBACUETN-UHFFFAOYSA-N -1 0 343.448 3.520 20 0 EHADRM O=C([O-])[C@@H](NCc1csc(-c2cccs2)n1)c1ccccc1 ZINC000426771612 599758593 /nfs/dbraw/zinc/75/85/93/599758593.db2.gz DOYCAVASMKSJBO-AWEZNQCLSA-N -1 0 330.434 3.787 20 0 EHADRM COc1ccc([C@H](NC(=O)C[C@@H](C)C2CCCCC2)C(=O)[O-])cc1 ZINC000561733811 599763315 /nfs/dbraw/zinc/76/33/15/599763315.db2.gz HAZIJPQZPVSWPP-ACJLOTCBSA-N -1 0 333.428 3.544 20 0 EHADRM CC[C@H](CC(=O)N[C@H](C(=O)[O-])c1ccc(OC)cc1)c1ccccc1 ZINC000263147393 599764304 /nfs/dbraw/zinc/76/43/04/599764304.db2.gz LBSTUQDATKFLMU-KUHUBIRLSA-N -1 0 341.407 3.521 20 0 EHADRM O=C([O-])CCCCCNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000238147428 599764856 /nfs/dbraw/zinc/76/48/56/599764856.db2.gz XHJZCUKXOWICOR-VXGBXAGGSA-N -1 0 344.238 3.858 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2ccc3ncsc3c2)cc1 ZINC000322836248 599766415 /nfs/dbraw/zinc/76/64/15/599766415.db2.gz IEGYXZXIUFHLHK-UHFFFAOYSA-N -1 0 326.377 3.566 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)CCn2ccc3ccccc32)cc1 ZINC000238039367 599766979 /nfs/dbraw/zinc/76/69/79/599766979.db2.gz ZGIRUWRDLJMJAV-UHFFFAOYSA-N -1 0 336.391 3.687 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)CCc2cccc(Cl)c2)cc1 ZINC000238028192 599767988 /nfs/dbraw/zinc/76/79/88/599767988.db2.gz GEKJSOXECOHCRO-UHFFFAOYSA-N -1 0 331.799 3.929 20 0 EHADRM O=C([O-])[C@@H](OC(=O)Cc1c[nH]c2cc(Cl)ccc12)c1ccccc1 ZINC000739339525 599786686 /nfs/dbraw/zinc/78/66/86/599786686.db2.gz YCXHHJLJNCBPBD-KRWDZBQOSA-N -1 0 343.766 3.733 20 0 EHADRM O=C([O-])c1ccoc1COC(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000740252115 599791391 /nfs/dbraw/zinc/79/13/91/599791391.db2.gz KTBRNQMCNAMVFC-IRXDYDNUSA-N -1 0 336.343 3.978 20 0 EHADRM CC(C)(C)CC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000621552763 599800396 /nfs/dbraw/zinc/80/03/96/599800396.db2.gz CENYHJGPFSZOLZ-UHFFFAOYSA-N -1 0 333.306 3.701 20 0 EHADRM Cc1cccc(OCc2nnc(SCc3cc(C(=O)[O-])co3)o2)c1 ZINC000738737908 599802430 /nfs/dbraw/zinc/80/24/30/599802430.db2.gz QPNQJCQWMFDPNV-UHFFFAOYSA-N -1 0 346.364 3.541 20 0 EHADRM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccsc1C(=O)[O-] ZINC000314187018 599802581 /nfs/dbraw/zinc/80/25/81/599802581.db2.gz FPBUMYOBTCUDMT-SECBINFHSA-N -1 0 339.800 3.814 20 0 EHADRM COc1ccc(NC(=S)Nc2cc(C)c(C(=O)[O-])s2)cc1F ZINC000738039265 599805721 /nfs/dbraw/zinc/80/57/21/599805721.db2.gz MDAUDNMKJVRTOI-UHFFFAOYSA-N -1 0 340.401 3.711 20 0 EHADRM Cc1[nH]c(C(=O)NCC(C)(C)c2ccccc2Cl)c(C)c1C(=O)[O-] ZINC000738238524 599808037 /nfs/dbraw/zinc/80/80/37/599808037.db2.gz UYDXICPUCWXHII-UHFFFAOYSA-N -1 0 348.830 3.691 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@@H]2C(=O)[O-])sc1-c1ccc(F)cc1 ZINC000237691668 599808411 /nfs/dbraw/zinc/80/84/11/599808411.db2.gz YQHDHNCMYLVVSZ-CYBMUJFWSA-N -1 0 333.384 3.552 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c(Cl)c1 ZINC000737930696 599813127 /nfs/dbraw/zinc/81/31/27/599813127.db2.gz QNTPEZDDKHRXIZ-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM Cc1cccc(C2(CNC(=O)[C@H](NC(=O)[O-])C(C)C)CCCCC2)c1 ZINC000738687856 599817793 /nfs/dbraw/zinc/81/77/93/599817793.db2.gz VYTJEISVUUDYTD-QGZVFWFLSA-N -1 0 346.471 3.605 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N[C@H]2CCc3c2cccc3F)cc1 ZINC000738599116 599823859 /nfs/dbraw/zinc/82/38/59/599823859.db2.gz QCBJWUVXQULSRO-KRWDZBQOSA-N -1 0 342.370 3.652 20 0 EHADRM Cc1ccc(CCNC(=O)Nc2ccc(CCC(=O)[O-])cc2)c(C)c1 ZINC000738591894 599829954 /nfs/dbraw/zinc/82/99/54/599829954.db2.gz HXDJACMJNPAFLZ-UHFFFAOYSA-N -1 0 340.423 3.685 20 0 EHADRM O=C([O-])/C(=C/c1ccc(OCc2ccncc2)cc1)c1ccncc1 ZINC000739488862 599831534 /nfs/dbraw/zinc/83/15/34/599831534.db2.gz BHROFKNNVMUBRL-CPNJWEJPSA-N -1 0 332.359 3.681 20 0 EHADRM CCSc1cc(C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)ccn1 ZINC000737230713 599834996 /nfs/dbraw/zinc/83/49/96/599834996.db2.gz BEWXVPKDHMKQOR-UHFFFAOYSA-N -1 0 348.449 3.694 20 0 EHADRM CN(C(=O)Nc1ccc(C(=O)[O-])cc1F)[C@@H]1CCc2ccccc21 ZINC000737327695 599837048 /nfs/dbraw/zinc/83/70/48/599837048.db2.gz VEVQZUISFYRSRV-MRXNPFEDSA-N -1 0 328.343 3.675 20 0 EHADRM CCc1ccsc1C(=O)N[C@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC000262205822 599844820 /nfs/dbraw/zinc/84/48/20/599844820.db2.gz RKNYYDFOZQZKIY-CQSZACIVSA-N -1 0 349.477 3.978 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)CCc2ccsc2)cc1 ZINC000237357471 599847703 /nfs/dbraw/zinc/84/77/03/599847703.db2.gz SOFNQHHFARJEMH-HNNXBMFYSA-N -1 0 349.477 3.735 20 0 EHADRM Cc1cc(NC(=O)Cn2c(C)cc3ccccc32)sc1C(=O)[O-] ZINC000390224051 599864536 /nfs/dbraw/zinc/86/45/36/599864536.db2.gz IOVFMWVEZOSODH-UHFFFAOYSA-N -1 0 328.393 3.657 20 0 EHADRM Cc1ccc(F)c(C(=O)NCc2c3ccccc3sc2C(=O)[O-])c1 ZINC000676018086 599870013 /nfs/dbraw/zinc/87/00/13/599870013.db2.gz ARGZUFMTPAFBRR-UHFFFAOYSA-N -1 0 343.379 3.977 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)Nc2cccc(Sc3ccccc3)c2)C1 ZINC000739592844 599881179 /nfs/dbraw/zinc/88/11/79/599881179.db2.gz DUAXLMIMYXETPK-CYBMUJFWSA-N -1 0 342.420 3.776 20 0 EHADRM O=C([O-])c1coc(COC(=O)Cc2cc(Cl)ccc2Cl)c1 ZINC000739340855 599884462 /nfs/dbraw/zinc/88/44/62/599884462.db2.gz ADKQXJKKMNHKEP-UHFFFAOYSA-N -1 0 329.135 3.571 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000736893132 599884961 /nfs/dbraw/zinc/88/49/61/599884961.db2.gz XPARUGKVPBEYGP-ATOWBYMVSA-N -1 0 345.439 3.733 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)Nc1ncc(C(=O)[O-])s1 ZINC000736892116 599885046 /nfs/dbraw/zinc/88/50/46/599885046.db2.gz TUJKFMFBHCRLIZ-IQQGHNRFSA-N -1 0 346.408 3.671 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C/C(=O)Nc1ncc(C(=O)[O-])s1 ZINC000736892109 599885205 /nfs/dbraw/zinc/88/52/05/599885205.db2.gz TUJKFMFBHCRLIZ-ANYFNZRUSA-N -1 0 346.408 3.671 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)cc1 ZINC000238036713 599887699 /nfs/dbraw/zinc/88/76/99/599887699.db2.gz JVSWRAHDURPCPU-UXHICEINSA-N -1 0 345.398 3.958 20 0 EHADRM O=C([O-])N1CCC[C@H](NC(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000739462328 599888994 /nfs/dbraw/zinc/88/89/94/599888994.db2.gz HYSRYNUNCOYHBH-KRWDZBQOSA-N -1 0 339.395 3.618 20 0 EHADRM O=C([O-])c1cccc(CSCc2nccn2CC(F)(F)F)c1 ZINC000740225429 599891732 /nfs/dbraw/zinc/89/17/32/599891732.db2.gz LAUNHOFUMJULJZ-UHFFFAOYSA-N -1 0 330.331 3.577 20 0 EHADRM CCN(Cc1ccoc1)C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000737108201 599893331 /nfs/dbraw/zinc/89/33/31/599893331.db2.gz RMVQUGPGIFMSMV-UHFFFAOYSA-N -1 0 346.383 3.819 20 0 EHADRM Cc1cc(NC(=O)c2cccc(NC(=O)[O-])c2)ccc1N1CCCC1 ZINC000738452063 599899195 /nfs/dbraw/zinc/89/91/95/599899195.db2.gz SIZRDGGNPMDCJV-UHFFFAOYSA-N -1 0 339.395 3.937 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)N(C)c1ccccc1C(=O)[O-] ZINC000738120183 599899214 /nfs/dbraw/zinc/89/92/14/599899214.db2.gz JVQSJOLLJPCJGD-ZDUSSCGKSA-N -1 0 327.380 3.550 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000738120858 599906058 /nfs/dbraw/zinc/90/60/58/599906058.db2.gz OTUYMZLNXQKZNM-NSHDSACASA-N -1 0 331.343 3.665 20 0 EHADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N(C)c1cccc(C(C)C)c1 ZINC000236791695 599907279 /nfs/dbraw/zinc/90/72/79/599907279.db2.gz WDVVOCVLLPVBAJ-UHFFFAOYSA-N -1 0 347.436 3.642 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000679396284 599908005 /nfs/dbraw/zinc/90/80/05/599908005.db2.gz FAHWQZKTKROTSW-KBPBESRZSA-N -1 0 343.345 3.578 20 0 EHADRM O=C([O-])CCCCCNC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000238147814 599908674 /nfs/dbraw/zinc/90/86/74/599908674.db2.gz SAUOYKQWVDRIFG-QZTJIDSGSA-N -1 0 325.408 3.705 20 0 EHADRM CC(C)(CCNC(=O)c1cccc(NC(=O)[O-])c1)c1ccccc1 ZINC000736319894 599909480 /nfs/dbraw/zinc/90/94/80/599909480.db2.gz BFKUCSJWLHYBKV-UHFFFAOYSA-N -1 0 326.396 3.874 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)c1 ZINC000740030473 599909930 /nfs/dbraw/zinc/90/99/30/599909930.db2.gz ZOUFURMKJFTZRV-OAHLLOKOSA-N -1 0 330.771 3.847 20 0 EHADRM O=Cc1cc(C(=O)[O-])ccc1OCc1ncc(-c2ccc(F)cc2)o1 ZINC000740318234 599909939 /nfs/dbraw/zinc/90/99/39/599909939.db2.gz VRZDFEDJUICATK-UHFFFAOYSA-N -1 0 341.294 3.570 20 0 EHADRM O=Cc1cc(C(=O)[O-])ccc1OCc1ccc(Br)s1 ZINC000740318280 599910066 /nfs/dbraw/zinc/91/00/66/599910066.db2.gz WHTOAJONFBFBQR-UHFFFAOYSA-N -1 0 341.182 3.600 20 0 EHADRM CN(CCCC(=O)OC1c2ccccc2Oc2ccccc21)C(=O)[O-] ZINC000737433180 599912619 /nfs/dbraw/zinc/91/26/19/599912619.db2.gz QCAHMDGFBVFFJB-UHFFFAOYSA-N -1 0 341.363 3.815 20 0 EHADRM Cc1cc(NC(=O)c2ccc(COC(C)C)cc2)ccc1C(=O)[O-] ZINC000261684133 599916888 /nfs/dbraw/zinc/91/68/88/599916888.db2.gz MYIRPPAIBOMUTQ-UHFFFAOYSA-N -1 0 327.380 3.871 20 0 EHADRM Cc1cc(NC(=O)c2cc(Cl)nc(Cl)c2)ccc1C(=O)[O-] ZINC000230344966 599917589 /nfs/dbraw/zinc/91/75/89/599917589.db2.gz NDVBRHAHZSWMHM-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM C[C@H](CN(C(=O)CSc1ccc2ccccc2c1)C1CC1)C(=O)[O-] ZINC000237601583 599920871 /nfs/dbraw/zinc/92/08/71/599920871.db2.gz GQSDMNUUZXKOLL-CYBMUJFWSA-N -1 0 343.448 3.644 20 0 EHADRM CSc1ccc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)cc1 ZINC000362557733 599922263 /nfs/dbraw/zinc/92/22/63/599922263.db2.gz DHEWQUXZXHYJAW-UHFFFAOYSA-N -1 0 347.461 3.979 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)c2cccc(Cl)c2)c1 ZINC000238075839 599923288 /nfs/dbraw/zinc/92/32/88/599923288.db2.gz GFZGWHFYXXQTTR-UHFFFAOYSA-N -1 0 335.812 3.910 20 0 EHADRM COc1cc2nc(C)sc2cc1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000357435764 599926776 /nfs/dbraw/zinc/92/67/76/599926776.db2.gz ISTNZWYPEHHPGL-UHFFFAOYSA-N -1 0 342.376 3.564 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)NCCc2ccc3ccccc3c2)c1 ZINC000740029541 599931087 /nfs/dbraw/zinc/93/10/87/599931087.db2.gz ASZAGQWITHLZDY-UHFFFAOYSA-N -1 0 334.375 3.902 20 0 EHADRM CCSc1cc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)ccn1 ZINC000737231727 599931410 /nfs/dbraw/zinc/93/14/10/599931410.db2.gz QPUYDMPBUYXEAN-HNNXBMFYSA-N -1 0 344.436 3.530 20 0 EHADRM CSCc1ccc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000324431993 599936120 /nfs/dbraw/zinc/93/61/20/599936120.db2.gz CKUZRRDBVIVSPU-QGZVFWFLSA-N -1 0 343.448 3.886 20 0 EHADRM O=C([O-])c1sc(N2CCC[C@H](Cc3ccccc3)C2)nc1Cl ZINC000740278487 599955199 /nfs/dbraw/zinc/95/51/99/599955199.db2.gz GVLIKZDDMCMXFG-GFCCVEGCSA-N -1 0 336.844 3.954 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)Nc2cc(C(=O)[O-])ccc2F)c(C)c1 ZINC000738589776 599955692 /nfs/dbraw/zinc/95/56/92/599955692.db2.gz XAFWJAPCKFFRET-ZDUSSCGKSA-N -1 0 344.386 3.893 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)O[C@H](C)c1ccc(Cl)cc1Cl ZINC000736384501 599965409 /nfs/dbraw/zinc/96/54/09/599965409.db2.gz IKNNSHYVNWYAFE-PELKAZGASA-N -1 0 334.199 3.890 20 0 EHADRM C[C@H](C(=O)Nc1sc2c(c1C(=O)[O-])CCC2)c1ccccc1F ZINC000736219052 599969972 /nfs/dbraw/zinc/96/99/72/599969972.db2.gz JDUZYYDHRYVCEU-VIFPVBQESA-N -1 0 333.384 3.816 20 0 EHADRM C[C@@H](C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-])c1ccccc1F ZINC000237486862 599971492 /nfs/dbraw/zinc/97/14/92/599971492.db2.gz CJWNZNBVSDYOTN-LSDHHAIUSA-N -1 0 343.398 3.679 20 0 EHADRM CCCCc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000737001303 599975853 /nfs/dbraw/zinc/97/58/53/599975853.db2.gz PYBMNQUDTZYWLS-QGZVFWFLSA-N -1 0 347.361 3.863 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000736512706 599977929 /nfs/dbraw/zinc/97/79/29/599977929.db2.gz MOGSFCXVJBPYFE-INIZCTEOSA-N -1 0 333.334 3.644 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)Nc2cc(OC)ccc2C(=O)[O-])cc1 ZINC000737256921 600001171 /nfs/dbraw/zinc/00/11/71/600001171.db2.gz MMFOAMXFSJKSIA-GFCCVEGCSA-N -1 0 327.380 3.698 20 0 EHADRM Cc1cccc(C[C@H](CNC(=O)Nc2cccc(Cl)c2)C(=O)[O-])c1 ZINC000738707375 600009453 /nfs/dbraw/zinc/00/94/53/600009453.db2.gz FZWUJDIITCRXBH-CQSZACIVSA-N -1 0 346.814 3.713 20 0 EHADRM Cc1cc(NC(=O)N[C@H]2CCc3cc(F)ccc32)ccc1C(=O)[O-] ZINC000738442754 600011595 /nfs/dbraw/zinc/01/15/95/600011595.db2.gz QGCLCHYMTFXIBD-INIZCTEOSA-N -1 0 328.343 3.641 20 0 EHADRM N#Cc1ccc(NCCc2ccc(C(=O)[O-])cc2)cc1C(F)(F)F ZINC000392096332 600011882 /nfs/dbraw/zinc/01/18/82/600011882.db2.gz FOSIBWPXULCAFV-UHFFFAOYSA-N -1 0 334.297 3.930 20 0 EHADRM N#Cc1ccc(N2Cc3ccc(C(=O)[O-])cc3C2)cc1C(F)(F)F ZINC000392571719 600012115 /nfs/dbraw/zinc/01/21/15/600012115.db2.gz YIGVAJCFHPBUFD-UHFFFAOYSA-N -1 0 332.281 3.795 20 0 EHADRM Cc1cc(NC(=O)N(C)C[C@H](C)c2ccccc2)ccc1C(=O)[O-] ZINC000738437049 600012136 /nfs/dbraw/zinc/01/21/36/600012136.db2.gz BHUHEOAQHMOKKR-AWEZNQCLSA-N -1 0 326.396 3.961 20 0 EHADRM Cc1csc(CCCCNC(=O)Nc2ccc(C(=O)[O-])c(C)c2)n1 ZINC000738815270 600013118 /nfs/dbraw/zinc/01/31/18/600013118.db2.gz GJJHYNZHCHOIBT-UHFFFAOYSA-N -1 0 347.440 3.603 20 0 EHADRM Cc1cc(NC(=O)NCCc2ccc3ccccc3n2)ccc1C(=O)[O-] ZINC000738440221 600013989 /nfs/dbraw/zinc/01/39/89/600013989.db2.gz KDHRMEWHHMRQAZ-UHFFFAOYSA-N -1 0 349.390 3.606 20 0 EHADRM Cc1ccc(OCCN(C)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000738643255 600016911 /nfs/dbraw/zinc/01/69/11/600016911.db2.gz MKLKJDMBXMTFIZ-UHFFFAOYSA-N -1 0 342.395 3.544 20 0 EHADRM Cc1cc(NC(=O)N[C@H](C)c2cc(F)ccc2F)ccc1C(=O)[O-] ZINC000738443756 600018218 /nfs/dbraw/zinc/01/82/18/600018218.db2.gz XWERIVVPSQACJK-SNVBAGLBSA-N -1 0 334.322 3.854 20 0 EHADRM CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000736252909 600019927 /nfs/dbraw/zinc/01/99/27/600019927.db2.gz SIHRJSABMBESEX-BHDPWAOGSA-N -1 0 338.492 3.782 20 0 EHADRM C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000736784425 600020688 /nfs/dbraw/zinc/02/06/88/600020688.db2.gz IXYRQOTWOGYFBW-DOMZBBRYSA-N -1 0 336.457 3.705 20 0 EHADRM C[C@@H]1C[C@@H](C)CN(C(=O)Nc2cccc(CSCC(=O)[O-])c2)C1 ZINC000736750281 600020965 /nfs/dbraw/zinc/02/09/65/600020965.db2.gz NVLPWLWFDNLVQV-CHWSQXEVSA-N -1 0 336.457 3.514 20 0 EHADRM O=C([O-])c1cccc(COC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000740220756 600021403 /nfs/dbraw/zinc/02/14/03/600021403.db2.gz HWIWRSBEEIBIQO-ZIAGYGMSSA-N -1 0 332.302 3.510 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000739887819 600023879 /nfs/dbraw/zinc/02/38/79/600023879.db2.gz AWCHWKBGXMGQEB-UHFFFAOYSA-N -1 0 325.147 3.840 20 0 EHADRM Cc1cccc(C[C@@H](CNC(=O)Nc2ccc(C)c(C)c2)C(=O)[O-])c1 ZINC000738707893 600024783 /nfs/dbraw/zinc/02/47/83/600024783.db2.gz JHGQXHTVBNQQAI-KRWDZBQOSA-N -1 0 340.423 3.677 20 0 EHADRM O=C([O-])C1CCC(NC(=O)N2CCC(C3CCCCC3)CC2)CC1 ZINC000739563549 600027027 /nfs/dbraw/zinc/02/70/27/600027027.db2.gz RAVRBMGZXMCZAB-UHFFFAOYSA-N -1 0 336.476 3.632 20 0 EHADRM CSc1ccc(Cl)c(C(=O)Oc2cccc(CC(=O)[O-])c2)c1 ZINC000738214286 600028928 /nfs/dbraw/zinc/02/89/28/600028928.db2.gz WXOZLRUCGSJTLQ-UHFFFAOYSA-N -1 0 336.796 3.908 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@H](C(=O)[O-])C2)c(C)n1C1CCCCC1 ZINC000237693772 600031029 /nfs/dbraw/zinc/03/10/29/600031029.db2.gz IMWCTIHVJHWKSE-HNNXBMFYSA-N -1 0 332.444 3.547 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC000485659934 600035704 /nfs/dbraw/zinc/03/57/04/600035704.db2.gz HAJPXYOSCRBAIW-RYQLBKOJSA-N -1 0 329.440 3.793 20 0 EHADRM COc1ccccc1C/C(C)=C\C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000738125058 600036520 /nfs/dbraw/zinc/03/65/20/600036520.db2.gz YGAUTTRUCRFTRI-YPKPFQOOSA-N -1 0 339.391 3.545 20 0 EHADRM CO[C@@](C)(C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccccc1 ZINC000676002286 600036858 /nfs/dbraw/zinc/03/68/58/600036858.db2.gz HKPXFEHKDDGRDY-QGZVFWFLSA-N -1 0 333.771 3.539 20 0 EHADRM CC(C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000736472656 600037716 /nfs/dbraw/zinc/03/77/16/600037716.db2.gz ZAYJOKLJDWNXFJ-UHFFFAOYSA-N -1 0 343.398 3.894 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N[C@@H]2CCCCc3ccccc32)cc1 ZINC000532259830 600042930 /nfs/dbraw/zinc/04/29/30/600042930.db2.gz DLWNMVDJBVJHPB-LJQANCHMSA-N -1 0 337.419 3.901 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N2CCCc3cccc(Cl)c32)cc1 ZINC000740124297 600043656 /nfs/dbraw/zinc/04/36/56/600043656.db2.gz USXXKDJCPSFHDI-UHFFFAOYSA-N -1 0 343.810 3.950 20 0 EHADRM CC(C)(CNC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000236651037 600043687 /nfs/dbraw/zinc/04/36/87/600043687.db2.gz YOFIWSFYLKOGPD-UHFFFAOYSA-N -1 0 343.398 3.551 20 0 EHADRM Cc1cc(F)cc2c1N(C(=O)CCc1ccc(C(=O)[O-])cc1)CCC2 ZINC000738396453 600045147 /nfs/dbraw/zinc/04/51/47/600045147.db2.gz IATJPKFGACBVAQ-UHFFFAOYSA-N -1 0 341.382 3.744 20 0 EHADRM Cc1cccc(C2(C(=O)NC3CCC(C(=O)[O-])CC3)CCCC2)c1 ZINC000262472983 600050542 /nfs/dbraw/zinc/05/05/42/600050542.db2.gz BPENZHVSUMYWGT-UHFFFAOYSA-N -1 0 329.440 3.566 20 0 EHADRM O=C([O-])c1cc(F)ccc1CSc1nc2cc(Cl)cnc2[nH]1 ZINC000740077073 600058259 /nfs/dbraw/zinc/05/82/59/600058259.db2.gz DMPJOEIYNUHQTB-UHFFFAOYSA-N -1 0 337.763 3.741 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000739553128 600059173 /nfs/dbraw/zinc/05/91/73/600059173.db2.gz MPTNWYAHYPVVDY-ZIAGYGMSSA-N -1 0 338.388 3.623 20 0 EHADRM CC/C(=C/C(=O)N[C@H](CC(=O)[O-])c1cccs1)c1ccccc1 ZINC000736837766 600061208 /nfs/dbraw/zinc/06/12/08/600061208.db2.gz YZMGLSHQMSQHRM-BMOGTNHUSA-N -1 0 329.421 3.874 20 0 EHADRM CC/C(=C\C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])c1ccccc1 ZINC000736834197 600062062 /nfs/dbraw/zinc/06/20/62/600062062.db2.gz GYMCJXRZFJMBEG-OCKXMSAZSA-N -1 0 335.403 3.518 20 0 EHADRM CC/C(=C\C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-])c1ccccc1 ZINC000736834264 600062589 /nfs/dbraw/zinc/06/25/89/600062589.db2.gz HOMQXFUWTVWDLQ-SAANBPEFSA-N -1 0 327.424 3.724 20 0 EHADRM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1ccccc1SCc1ccccc1 ZINC000739553018 600062608 /nfs/dbraw/zinc/06/26/08/600062608.db2.gz LEZHPHZNOQRJJQ-KGLIPLIRSA-N -1 0 327.405 3.638 20 0 EHADRM CC(C)Sc1ccc([C@@H](C)NC(=O)c2ccc(C(=O)[O-])cn2)cc1 ZINC000567056221 600063713 /nfs/dbraw/zinc/06/37/13/600063713.db2.gz BOVXXFSAQSHCFM-GFCCVEGCSA-N -1 0 344.436 3.771 20 0 EHADRM C/C(=C/C(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccccc1Cl ZINC000736119671 600065512 /nfs/dbraw/zinc/06/55/12/600065512.db2.gz BDIUGGXSJOUDCG-SEYXRHQNSA-N -1 0 343.810 3.800 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)Cc2ccsc2)c1 ZINC000238212682 600067474 /nfs/dbraw/zinc/06/74/74/600067474.db2.gz MODPLPMFFKECPN-UHFFFAOYSA-N -1 0 335.450 3.637 20 0 EHADRM Cc1cc(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c(C)n1C(C)C ZINC000621554548 600073377 /nfs/dbraw/zinc/07/33/77/600073377.db2.gz OGVADKAATQNPQT-UHFFFAOYSA-N -1 0 326.396 3.540 20 0 EHADRM CC(C)c1ccc(NC(=O)c2ccc(NC3CC3)nc2)c(C(=O)[O-])c1 ZINC000736515091 600073937 /nfs/dbraw/zinc/07/39/37/600073937.db2.gz GISKCZIYDRFYOC-UHFFFAOYSA-N -1 0 339.395 3.730 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000738121973 600073951 /nfs/dbraw/zinc/07/39/51/600073951.db2.gz UWLCPUDTGPALLO-ACCUITESSA-N -1 0 325.364 3.744 20 0 EHADRM CCSc1ccc([C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[O-])cc1 ZINC000737229045 600075695 /nfs/dbraw/zinc/07/56/95/600075695.db2.gz HVIKBPXAJFUKAL-DOMZBBRYSA-N -1 0 338.473 3.658 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)C(F)(F)c2ccc(F)cc2)ccc1F ZINC000740004960 600086093 /nfs/dbraw/zinc/08/60/93/600086093.db2.gz CKRUKSQOZWOKKE-UHFFFAOYSA-N -1 0 342.248 3.785 20 0 EHADRM C[C@H](c1nnc(-c2ccccc2)o1)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736727143 600089095 /nfs/dbraw/zinc/08/90/95/600089095.db2.gz DBIZKOQLAKIXFU-GFCCVEGCSA-N -1 0 335.363 3.512 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2ccc3ccccc3n2)ccc1F ZINC000740011959 600090436 /nfs/dbraw/zinc/09/04/36/600090436.db2.gz HDZXFOKEMDBOOB-UHFFFAOYSA-N -1 0 325.299 3.716 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)NCCCc2cccc(F)c2)c1 ZINC000740043797 600096990 /nfs/dbraw/zinc/09/69/90/600096990.db2.gz XUSCAFAAZACPAI-UHFFFAOYSA-N -1 0 331.347 3.670 20 0 EHADRM Cc1[nH]c(C(=O)CN(c2cccc(C)c2)C(C)C)c(C)c1C(=O)[O-] ZINC000738723701 600099577 /nfs/dbraw/zinc/09/95/77/600099577.db2.gz FFWYZEQZEACKLJ-UHFFFAOYSA-N -1 0 328.412 3.736 20 0 EHADRM C[C@@H](COc1cccc(F)c1)OC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736617295 600101674 /nfs/dbraw/zinc/10/16/74/600101674.db2.gz WITNTONSUIDWMQ-NSHDSACASA-N -1 0 333.315 3.540 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)NCC2CCCC2)c1 ZINC000739754462 600108369 /nfs/dbraw/zinc/10/83/69/600108369.db2.gz RALAZVLWYVIWBK-UHFFFAOYSA-N -1 0 336.457 3.706 20 0 EHADRM O=C([O-])[C@H]1C[C@@H]1c1nc(-c2ccccc2OCc2ccccc2)no1 ZINC000739561323 600109423 /nfs/dbraw/zinc/10/94/23/600109423.db2.gz YUAZFPGQJRJMPD-GJZGRUSLSA-N -1 0 336.347 3.504 20 0 EHADRM COc1ccc(Cl)cc1C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000738016904 600110691 /nfs/dbraw/zinc/11/06/91/600110691.db2.gz SQPUGNYMPCMDAD-UHFFFAOYSA-N -1 0 338.718 3.543 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 ZINC000485653632 600113102 /nfs/dbraw/zinc/11/31/02/600113102.db2.gz JAYCKCKLLBYXJM-LSDHHAIUSA-N -1 0 345.782 3.578 20 0 EHADRM O=C([O-])c1ccc(-c2noc(Cc3c(F)cccc3Cl)n2)cc1 ZINC000320281006 600113135 /nfs/dbraw/zinc/11/31/35/600113135.db2.gz WJIRVEMCBAZMNR-UHFFFAOYSA-N -1 0 332.718 3.818 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000740290589 600114638 /nfs/dbraw/zinc/11/46/38/600114638.db2.gz OZFXUPQNEAUQTC-UHFFFAOYSA-N -1 0 332.114 3.516 20 0 EHADRM Cc1cccc(C2(C(=O)OCc3ccc(F)cc3C(=O)[O-])CC2)c1 ZINC000738688205 600115870 /nfs/dbraw/zinc/11/58/70/600115870.db2.gz WTKZXQFMQHJUKG-UHFFFAOYSA-N -1 0 328.339 3.607 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2cc(-c3cccs3)[nH]n2)ccc1F ZINC000740006380 600123399 /nfs/dbraw/zinc/12/33/99/600123399.db2.gz CQSXXOUPIPWZLV-UHFFFAOYSA-N -1 0 346.343 3.620 20 0 EHADRM CC[C@@H](C)[C@H](C)NC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000736870975 600124065 /nfs/dbraw/zinc/12/40/65/600124065.db2.gz MSZLPFAEBSMLFN-OLZOCXBDSA-N -1 0 338.473 3.951 20 0 EHADRM Cc1cc(NC(=O)c2sc(-c3ccc(C)o3)nc2C)c(C(=O)[O-])[nH]1 ZINC000738452225 600124964 /nfs/dbraw/zinc/12/49/64/600124964.db2.gz LIFHLRJUQBDHQH-UHFFFAOYSA-N -1 0 345.380 3.607 20 0 EHADRM CC(C)[C@@H](C)N(C)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000736355258 600125057 /nfs/dbraw/zinc/12/50/57/600125057.db2.gz NQLULRQBHQCDPP-CYBMUJFWSA-N -1 0 338.473 3.903 20 0 EHADRM CC[C@@](NC(=O)[C@@H]1CCCc2ccccc21)(C(=O)[O-])c1ccccc1 ZINC000485384617 600128660 /nfs/dbraw/zinc/12/86/60/600128660.db2.gz PGJRICPKGFWSBK-NQIIRXRSSA-N -1 0 337.419 3.613 20 0 EHADRM CC[C@](NC(=O)c1ccc(F)cc1Cl)(C(=O)[O-])c1ccccc1 ZINC000736915869 600134763 /nfs/dbraw/zinc/13/47/63/600134763.db2.gz DBRFFXXHYWFPNG-QGZVFWFLSA-N -1 0 335.762 3.599 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NC1(C(=O)[O-])CCCC1 ZINC000237520733 600140872 /nfs/dbraw/zinc/14/08/72/600140872.db2.gz UOLXQYNCTOMCDV-SNVBAGLBSA-N -1 0 344.238 3.686 20 0 EHADRM CSc1ccsc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000738147256 600146758 /nfs/dbraw/zinc/14/67/58/600146758.db2.gz ZQETZXHJWUEWHM-NSHDSACASA-N -1 0 339.413 3.555 20 0 EHADRM CCCC[C@@H](Nc1cc(Cl)ccc1OC[C@H]1CCCO1)C(=O)[O-] ZINC000736983312 600155000 /nfs/dbraw/zinc/15/50/00/600155000.db2.gz ZAECDEVIKVBXSL-ZIAGYGMSSA-N -1 0 341.835 3.953 20 0 EHADRM C[C@@H](NC(=O)C(C)(C)NC(=O)[O-])c1ccc(Oc2ccccc2)cc1 ZINC000736634661 600159926 /nfs/dbraw/zinc/15/99/26/600159926.db2.gz ZWBYITRCCGREKO-CYBMUJFWSA-N -1 0 342.395 3.702 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1 ZINC000739549154 600161128 /nfs/dbraw/zinc/16/11/28/600161128.db2.gz SCOKPEVKUDFQJU-UONOGXRCSA-N -1 0 344.798 3.611 20 0 EHADRM CCCCN(C)c1ccc(NC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)cc1 ZINC000736992459 600166444 /nfs/dbraw/zinc/16/64/44/600166444.db2.gz JDKUPPZYBGKKJL-UHFFFAOYSA-N -1 0 343.427 3.818 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@H](C)c1cc2ccccc2s1 ZINC000736422107 600166600 /nfs/dbraw/zinc/16/66/00/600166600.db2.gz OZYJTZYKLFKGGS-YPMHNXCESA-N -1 0 334.441 3.761 20 0 EHADRM Cc1cc(C)cc([C@@H](C)NC(=O)NCCc2ccc(C(=O)[O-])cc2)c1 ZINC000738364403 600173279 /nfs/dbraw/zinc/17/32/79/600173279.db2.gz UZNBYKQEHSSYCS-OAHLLOKOSA-N -1 0 340.423 3.605 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)C(C)C ZINC000738785715 600182614 /nfs/dbraw/zinc/18/26/14/600182614.db2.gz KTABVEWOJYFPJD-HNNXBMFYSA-N -1 0 345.374 3.746 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000736618450 600192471 /nfs/dbraw/zinc/19/24/71/600192471.db2.gz QKDCWDAYBFFPBL-CYBMUJFWSA-N -1 0 341.432 3.702 20 0 EHADRM Cc1ccc(N(Cc2ccco2)C(=O)CCSCC(=O)[O-])cc1C ZINC000738608739 600193762 /nfs/dbraw/zinc/19/37/62/600193762.db2.gz VGCVXHFBXCREAN-UHFFFAOYSA-N -1 0 347.436 3.638 20 0 EHADRM Cc1cc(F)cc2[nH]c(C(=O)N(C)[C@@H](C(=O)[O-])c3ccccc3)cc21 ZINC000738396372 600194300 /nfs/dbraw/zinc/19/43/00/600194300.db2.gz DLRBZXDZZWNPIL-QGZVFWFLSA-N -1 0 340.354 3.513 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000479558148 600199328 /nfs/dbraw/zinc/19/93/28/600199328.db2.gz QFFDGFBKYKHBDK-NSHDSACASA-N -1 0 331.343 3.665 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000479558146 600199453 /nfs/dbraw/zinc/19/94/53/600199453.db2.gz QFFDGFBKYKHBDK-LLVKDONJSA-N -1 0 331.343 3.665 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000736617906 600201993 /nfs/dbraw/zinc/20/19/93/600201993.db2.gz IRYJCXBDCFIKRA-NSHDSACASA-N -1 0 333.384 3.891 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2ccc(-c3ccccc3)[nH]2)cc1 ZINC000178259250 600202121 /nfs/dbraw/zinc/20/21/21/600202121.db2.gz MWXZZFUZPNBNBW-UHFFFAOYSA-N -1 0 334.375 3.951 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000120214730 600205207 /nfs/dbraw/zinc/20/52/07/600205207.db2.gz WAQZYCKUUBVYSE-VXGBXAGGSA-N -1 0 331.318 3.714 20 0 EHADRM CC1=C(C(=O)[O-])[C@@H](c2ccccc2F)NC(=O)N1Cc1cccs1 ZINC000736752213 600205981 /nfs/dbraw/zinc/20/59/81/600205981.db2.gz VNABADJOTDJCPC-OAHLLOKOSA-N -1 0 346.383 3.512 20 0 EHADRM CC(C)(C)[C@@H]1CCCN(C(=O)CCc2ccc(C(=O)[O-])cc2)CC1 ZINC000236669759 600209458 /nfs/dbraw/zinc/20/94/58/600209458.db2.gz SNFCNNRHBDCBHZ-QGZVFWFLSA-N -1 0 331.456 3.992 20 0 EHADRM O=C([O-])c1ccc(NC(=O)/C=C/c2ccsc2)c(OC(F)F)c1 ZINC000739216842 600210290 /nfs/dbraw/zinc/21/02/90/600210290.db2.gz RZFCFSINJOXCNW-DAFODLJHSA-N -1 0 339.319 3.700 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C=C2CCCCC2)c(OC(F)F)c1 ZINC000739208012 600211294 /nfs/dbraw/zinc/21/12/94/600211294.db2.gz CTLMNBARXBOVRY-UHFFFAOYSA-N -1 0 325.311 3.815 20 0 EHADRM Cc1oc(-c2ccccc2)nc1CN(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000738957744 600211312 /nfs/dbraw/zinc/21/13/12/600211312.db2.gz ZOPVEKHBPPJXRQ-SFHVURJKSA-N -1 0 336.391 3.908 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC000237381582 600211389 /nfs/dbraw/zinc/21/13/89/600211389.db2.gz IYTOJQCOWSTELI-LBPRGKRZSA-N -1 0 337.379 3.702 20 0 EHADRM CN(Cc1ncc(-c2ccc(F)cc2)o1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737495676 600212941 /nfs/dbraw/zinc/21/29/41/600212941.db2.gz JMFQPIGRSFFXQZ-GOSISDBHSA-N -1 0 340.354 3.738 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)/C=C\c2ccc(Cl)s2)c2ccccc21 ZINC000255916659 600218336 /nfs/dbraw/zinc/21/83/36/600218336.db2.gz BKMUWFNHQXTHNO-VFFGBVLKSA-N -1 0 333.796 3.630 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)CCSc2ccccc2F)c2ccccc21 ZINC000177472492 600221922 /nfs/dbraw/zinc/22/19/22/600221922.db2.gz NJBTZVDREAULQQ-CYBMUJFWSA-N -1 0 345.395 3.523 20 0 EHADRM Cc1ccc(C[C@H]2CCCN2C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000738270615 600226729 /nfs/dbraw/zinc/22/67/29/600226729.db2.gz TXMBHSJWFLDCRU-GOSISDBHSA-N -1 0 338.407 3.932 20 0 EHADRM CC(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000391671307 600228551 /nfs/dbraw/zinc/22/85/51/600228551.db2.gz VNEXBYDFYKHINK-UHFFFAOYSA-N -1 0 347.758 3.641 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000736492907 600230573 /nfs/dbraw/zinc/23/05/73/600230573.db2.gz LYBHRPSHPWWOTP-UHFFFAOYSA-N -1 0 328.368 3.745 20 0 EHADRM CC(=O)Nc1cc(NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)ccc1C ZINC000736158198 600233287 /nfs/dbraw/zinc/23/32/87/600233287.db2.gz NPEGYMRVTARMFU-UHFFFAOYSA-N -1 0 341.367 3.604 20 0 EHADRM CCc1ccc(CCNC(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000737260663 600241691 /nfs/dbraw/zinc/24/16/91/600241691.db2.gz WAJRDEXFPLCWKI-UHFFFAOYSA-N -1 0 326.396 3.620 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OC(=O)c1nccc2ccccc21 ZINC000740076220 600242113 /nfs/dbraw/zinc/24/21/13/600242113.db2.gz SBRHBGKQAMRIGE-UHFFFAOYSA-N -1 0 327.723 3.806 20 0 EHADRM Cc1ccc(-c2cc(-c3nc(-c4ccc(C(=O)[O-])cc4)no3)n[nH]2)cc1 ZINC000738487264 600245307 /nfs/dbraw/zinc/24/53/07/600245307.db2.gz VRZKWKLYHLMRKR-UHFFFAOYSA-N -1 0 346.346 3.800 20 0 EHADRM O=C([O-])c1n[nH]c2ccc(NC(=O)c3ccc(-c4ccccc4)[nH]3)cc21 ZINC000739476809 600247283 /nfs/dbraw/zinc/24/72/83/600247283.db2.gz WEKFXWYSPAKIGD-UHFFFAOYSA-N -1 0 346.346 3.509 20 0 EHADRM Cc1ccc2oc(SCC(=O)Nc3ccccc3C(=O)[O-])nc2c1 ZINC000738307282 600247778 /nfs/dbraw/zinc/24/77/78/600247778.db2.gz ARJLFDILIQWGDY-UHFFFAOYSA-N -1 0 342.376 3.565 20 0 EHADRM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1cccc(CSC2CCCCC2)c1 ZINC000439809542 600251836 /nfs/dbraw/zinc/25/18/36/600251836.db2.gz OWNUODYWFYFQEQ-HOTGVXAUSA-N -1 0 333.453 3.912 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)c(C(=O)[O-])[nH]1 ZINC000738421022 600253714 /nfs/dbraw/zinc/25/37/14/600253714.db2.gz BHTZJAUVPRJORT-JKSUJKDBSA-N -1 0 334.375 3.917 20 0 EHADRM Cc1cc(F)cc2[nH]c(C(=O)NC3(C(=O)[O-])CCCCCC3)cc21 ZINC000431971210 600254492 /nfs/dbraw/zinc/25/44/92/600254492.db2.gz GJCQKSNXOYNBQN-UHFFFAOYSA-N -1 0 332.375 3.523 20 0 EHADRM Cc1cc(NC(=O)c2ccc3c(c2)Cc2ccccc2-3)c(C(=O)[O-])[nH]1 ZINC000738451717 600255970 /nfs/dbraw/zinc/25/59/70/600255970.db2.gz HVGMGVAFGWCQPP-UHFFFAOYSA-N -1 0 332.359 3.845 20 0 EHADRM CC(C)n1ccc(COc2ccc(Br)cc2C(=O)[O-])n1 ZINC000069988734 600260304 /nfs/dbraw/zinc/26/03/04/600260304.db2.gz FXSXCRPWSKUZAT-UHFFFAOYSA-N -1 0 339.189 3.504 20 0 EHADRM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000736765143 600267234 /nfs/dbraw/zinc/26/72/34/600267234.db2.gz YKBOYKYNEROGFH-SWLSCSKDSA-N -1 0 342.370 3.934 20 0 EHADRM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000736765141 600267378 /nfs/dbraw/zinc/26/73/78/600267378.db2.gz YKBOYKYNEROGFH-IUODEOHRSA-N -1 0 342.370 3.934 20 0 EHADRM CC(C)[C@H](CC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccccc1 ZINC000262477634 600272344 /nfs/dbraw/zinc/27/23/44/600272344.db2.gz TWYLVPVVLDOEMJ-DLBZAZTESA-N -1 0 329.440 3.530 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000262369272 600275788 /nfs/dbraw/zinc/27/57/88/600275788.db2.gz ANQYDQKJHRKBOH-CYBMUJFWSA-N -1 0 347.798 3.722 20 0 EHADRM C[C@H](CCC(C)(C)C)NC(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000736564029 600276851 /nfs/dbraw/zinc/27/68/51/600276851.db2.gz VDEGKXCQITUOFB-CYBMUJFWSA-N -1 0 336.432 3.876 20 0 EHADRM COC(=O)c1ccc([C@@H](C)Sc2nc3ccc(C(=O)[O-])cc3o2)o1 ZINC000737688265 600278523 /nfs/dbraw/zinc/27/85/23/600278523.db2.gz LEVNYNAFAXZSMK-MRVPVSSYSA-N -1 0 347.348 3.759 20 0 EHADRM O=C([O-])NCc1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1 ZINC000739992817 600279731 /nfs/dbraw/zinc/27/97/31/600279731.db2.gz TVGSRNFPSWSHFT-UHFFFAOYSA-N -1 0 335.816 3.917 20 0 EHADRM Cc1ccc(NC(=S)Nc2ccc(CNC(=O)[O-])cc2)c(C)c1 ZINC000738627126 600279881 /nfs/dbraw/zinc/27/98/81/600279881.db2.gz DYIOXYPTFZASNY-UHFFFAOYSA-N -1 0 329.425 3.880 20 0 EHADRM CCc1ccc(NC(=S)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000737266969 600280354 /nfs/dbraw/zinc/28/03/54/600280354.db2.gz RVWSKQMQMIYARB-UHFFFAOYSA-N -1 0 329.425 3.826 20 0 EHADRM CN(Cc1ccc(NC(=O)C2(c3ccccc3)CCC2)cc1)C(=O)[O-] ZINC000737476476 600284446 /nfs/dbraw/zinc/28/44/46/600284446.db2.gz AIGHFHORVBDVDG-UHFFFAOYSA-N -1 0 338.407 3.857 20 0 EHADRM COc1cccc([C@@H](C)C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)c1 ZINC000738092560 600286261 /nfs/dbraw/zinc/28/62/61/600286261.db2.gz QEJTZOGBLACWME-CYBMUJFWSA-N -1 0 342.395 3.547 20 0 EHADRM CN(Cc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1)C(=O)[O-] ZINC000737485528 600288025 /nfs/dbraw/zinc/28/80/25/600288025.db2.gz SEEISTCMEJYOEC-UHFFFAOYSA-N -1 0 334.322 3.986 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736622230 600288707 /nfs/dbraw/zinc/28/87/07/600288707.db2.gz LXMDKBUWXZZCGL-CYBMUJFWSA-N -1 0 344.386 3.753 20 0 EHADRM CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1nc(/C=C\c2ccccc2)cs1 ZINC000736383383 600298225 /nfs/dbraw/zinc/29/82/25/600298225.db2.gz XVRJAOOGVDLIJC-QIAWRQBBSA-N -1 0 345.424 3.544 20 0 EHADRM O=C([O-])NCc1ccc(NCC(=O)Nc2ccc3ccccc3c2)cc1 ZINC000739992058 600316389 /nfs/dbraw/zinc/31/63/89/600316389.db2.gz MUWJFLYUELLFAN-UHFFFAOYSA-N -1 0 349.390 3.658 20 0 EHADRM Cc1cccc(CCC(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000738707227 600322499 /nfs/dbraw/zinc/32/24/99/600322499.db2.gz HYYLFOQUAVZBJF-QGZVFWFLSA-N -1 0 332.783 3.950 20 0 EHADRM COc1cc(CC(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)ccc1C ZINC000737882531 600324177 /nfs/dbraw/zinc/32/41/77/600324177.db2.gz CDPBHFSDNKSOBZ-KRWDZBQOSA-N -1 0 348.782 3.569 20 0 EHADRM COc1cc(CC(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)ccc1C ZINC000737882533 600324307 /nfs/dbraw/zinc/32/43/07/600324307.db2.gz CDPBHFSDNKSOBZ-QGZVFWFLSA-N -1 0 348.782 3.569 20 0 EHADRM C[C@@H](OCc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000736701471 600325022 /nfs/dbraw/zinc/32/50/22/600325022.db2.gz VNFDTAGFCGNOGD-WBMJQRKESA-N -1 0 348.782 3.614 20 0 EHADRM O=C([O-])[C@@H](OC(=O)C(F)(F)c1ccccc1)c1cccc(Cl)c1 ZINC000739515093 600325943 /nfs/dbraw/zinc/32/59/43/600325943.db2.gz ZDJJDEWWMLLXQX-ZDUSSCGKSA-N -1 0 340.709 3.801 20 0 EHADRM Cc1ccccc1NC(=O)[C@H](C)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000738778734 600326509 /nfs/dbraw/zinc/32/65/09/600326509.db2.gz UFGZKSPJOYAIJI-AWEZNQCLSA-N -1 0 341.411 3.544 20 0 EHADRM Cc1cccc(NC(=O)[C@H](C)Nc2ccc(CN(C)C(=O)[O-])cc2)c1 ZINC000738733398 600326526 /nfs/dbraw/zinc/32/65/26/600326526.db2.gz VWPMHAWMLGTPOO-AWEZNQCLSA-N -1 0 341.411 3.544 20 0 EHADRM O=C([O-])[C@H](OC(=O)Cc1cc2ccccc2o1)c1cccc(Cl)c1 ZINC000739341262 600328103 /nfs/dbraw/zinc/32/81/03/600328103.db2.gz IHFIAXWZWLIWST-QGZVFWFLSA-N -1 0 344.750 3.998 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1c(O)cccc1Cl)c1cccc(Cl)c1 ZINC000740293015 600328286 /nfs/dbraw/zinc/32/82/86/600328286.db2.gz SUSJTEMMRJFDAL-CYBMUJFWSA-N -1 0 341.146 3.682 20 0 EHADRM Cc1ccc2oc(C(=O)O[C@H](C(=O)[O-])c3cccc(Cl)c3)cc2n1 ZINC000738681691 600329845 /nfs/dbraw/zinc/32/98/45/600329845.db2.gz YZZZCOJWSHMUMF-HNNXBMFYSA-N -1 0 345.738 3.772 20 0 EHADRM C[C@H](c1ccccc1F)N(C)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736725134 600348037 /nfs/dbraw/zinc/34/80/37/600348037.db2.gz SBHRHYCQZSGENF-GFCCVEGCSA-N -1 0 345.374 3.818 20 0 EHADRM CC(C)[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736395946 600348150 /nfs/dbraw/zinc/34/81/50/600348150.db2.gz SHGHIYDYFYYFDI-CVEARBPZSA-N -1 0 333.432 3.791 20 0 EHADRM O=C([O-])CCCc1nc(CSCc2nc3ccccc3s2)no1 ZINC000739703768 600350846 /nfs/dbraw/zinc/35/08/46/600350846.db2.gz XHPUOGBLPMWLGP-UHFFFAOYSA-N -1 0 349.437 3.520 20 0 EHADRM CC[C@@H](CNC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccccc1 ZINC000736905962 600351062 /nfs/dbraw/zinc/35/10/62/600351062.db2.gz WAMRLTHKYWSRAN-HNNXBMFYSA-N -1 0 341.411 3.770 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000736650079 600356637 /nfs/dbraw/zinc/35/66/37/600356637.db2.gz YYFPSSBIGIEJLH-NSHDSACASA-N -1 0 347.802 3.990 20 0 EHADRM COc1cccc([C@H]2C[C@H]2C(=O)Nc2cc(C)c(C(=O)[O-])s2)c1 ZINC000738097576 600368592 /nfs/dbraw/zinc/36/85/92/600368592.db2.gz UWOGLCYVZCJUDF-CHWSQXEVSA-N -1 0 331.393 3.506 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(N(C)C)cc2)sc1C(=O)[O-] ZINC000738234100 600370002 /nfs/dbraw/zinc/37/00/02/600370002.db2.gz GZVCVRYTOCHMBM-ZIAGYGMSSA-N -1 0 344.436 3.563 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)CC/C=C/c2ccccc2)cc1 ZINC000499183761 600375435 /nfs/dbraw/zinc/37/54/35/600375435.db2.gz CQTQRVVEYHADQX-XBXARRHUSA-N -1 0 325.364 3.582 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OC(=O)c1coc(-c2ccccc2)n1 ZINC000740307018 600376136 /nfs/dbraw/zinc/37/61/36/600376136.db2.gz HBGMNCQTYBQLJW-UHFFFAOYSA-N -1 0 343.722 3.912 20 0 EHADRM COC(=O)[C@H](Sc1nc2ccc(C(=O)[O-])cc2o1)c1ccccc1 ZINC000737581412 600380057 /nfs/dbraw/zinc/38/00/57/600380057.db2.gz STMXPSVFZKBTFG-CQSZACIVSA-N -1 0 343.360 3.532 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)Cc1ccc2c(c1)CCC2)c1ccccc1 ZINC000736853432 600380544 /nfs/dbraw/zinc/38/05/44/600380544.db2.gz SNSRVBIXGIVZFL-IBGZPJMESA-N -1 0 337.419 3.614 20 0 EHADRM Cc1oc(COC(=O)/C=C\c2ccnc3ccccc23)cc1C(=O)[O-] ZINC000738983271 600381644 /nfs/dbraw/zinc/38/16/44/600381644.db2.gz QPOGDQHOJUZTHG-SREVYHEPSA-N -1 0 337.331 3.591 20 0 EHADRM O=C([O-])c1cc(NC(=O)/C=C\c2ccnc3ccccc23)ccc1F ZINC000739216803 600381838 /nfs/dbraw/zinc/38/18/38/600381838.db2.gz VGXFYPSSXYANFR-YVMONPNESA-N -1 0 336.322 3.724 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1ccc(-n2cccc2)cc1)c1ccccc1 ZINC000736851872 600384784 /nfs/dbraw/zinc/38/47/84/600384784.db2.gz LGTBFHSGALULLK-IBGZPJMESA-N -1 0 348.402 3.987 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1ccc(OC(F)F)cc1)c1ccccc1 ZINC000736851598 600384791 /nfs/dbraw/zinc/38/47/91/600384791.db2.gz QZYJBXFJTDHTIS-OAHLLOKOSA-N -1 0 349.333 3.798 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@H](CC)OC1CCCC1)c1ccccc1 ZINC000736928472 600386060 /nfs/dbraw/zinc/38/60/60/600386060.db2.gz TVPNLAIHEWCMFW-SJORKVTESA-N -1 0 333.428 3.621 20 0 EHADRM O=C([O-])c1cc(NC(=O)NCCc2ccc(Cl)s2)ccc1F ZINC000390243415 600386317 /nfs/dbraw/zinc/38/63/17/600386317.db2.gz RVWAVLMMEPVLCP-UHFFFAOYSA-N -1 0 342.779 3.603 20 0 EHADRM CN(C(=O)Nc1ccc(F)c(C(=O)[O-])c1)[C@@H]1CCc2ccccc21 ZINC000737328897 600388865 /nfs/dbraw/zinc/38/88/65/600388865.db2.gz KWNYCJFYVPLWJV-MRXNPFEDSA-N -1 0 328.343 3.675 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)CC(F)(F)F)cc1 ZINC000236747508 600390865 /nfs/dbraw/zinc/39/08/65/600390865.db2.gz FYWRSSJPPDWNDK-LBPRGKRZSA-N -1 0 331.334 3.569 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1cccc(Cl)c1Cl ZINC000555725090 600390886 /nfs/dbraw/zinc/39/08/86/600390886.db2.gz LAQPXGSFCRTQFM-QMMMGPOBSA-N -1 0 339.178 3.578 20 0 EHADRM CC[C@H](C)CN(C)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000736879969 600394393 /nfs/dbraw/zinc/39/43/93/600394393.db2.gz JPBYCOSDUGTPFL-ZDUSSCGKSA-N -1 0 338.473 3.904 20 0 EHADRM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCO[C@@H](c2ccccc2)C1 ZINC000565103983 600396219 /nfs/dbraw/zinc/39/62/19/600396219.db2.gz MZEXZTFEKBVUBW-IAGOWNOFSA-N -1 0 331.799 3.539 20 0 EHADRM CCc1ccc([C@H]2CCCN2c2nc(Cl)c(C(=O)[O-])s2)o1 ZINC000737258506 600397141 /nfs/dbraw/zinc/39/71/41/600397141.db2.gz GIJQWCMTJKTZHU-SECBINFHSA-N -1 0 326.805 3.992 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccc(OC)cc1 ZINC000736913268 600398456 /nfs/dbraw/zinc/39/84/56/600398456.db2.gz ACIUKZPUVYKVAM-HNNXBMFYSA-N -1 0 346.358 3.805 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCc2c(F)cccc2Cl)c(F)c1 ZINC000739435970 600403017 /nfs/dbraw/zinc/40/30/17/600403017.db2.gz KSRNTNHGSLNGRV-UHFFFAOYSA-N -1 0 340.713 3.638 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)Oc2ccc(C(=O)[O-])cc2)s1 ZINC000738239404 600403629 /nfs/dbraw/zinc/40/36/29/600403629.db2.gz IARCOLMQPZIXGR-UHFFFAOYSA-N -1 0 328.292 3.575 20 0 EHADRM CC(C)[C@@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736393836 600409176 /nfs/dbraw/zinc/40/91/76/600409176.db2.gz CNIBRGBPBIFVLM-LBPRGKRZSA-N -1 0 342.342 3.639 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000736906412 600412782 /nfs/dbraw/zinc/41/27/82/600412782.db2.gz ZYZYFVGABBIPQN-MSOLQXFVSA-N -1 0 331.456 3.795 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)CCOc1ccc(Cl)cc1Cl ZINC000236824559 600415832 /nfs/dbraw/zinc/41/58/32/600415832.db2.gz QZBUVWLPSWJFLH-UHFFFAOYSA-N -1 0 348.226 3.522 20 0 EHADRM Cc1oc(CN(Cc2ccco2)Cc2ccc(O)cc2)cc1C(=O)[O-] ZINC000738977261 600431924 /nfs/dbraw/zinc/43/19/24/600431924.db2.gz BOKCPLGYQCORDR-UHFFFAOYSA-N -1 0 341.363 3.787 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccn2)c1 ZINC000738551656 600432777 /nfs/dbraw/zinc/43/27/77/600432777.db2.gz NIJJDVQOIWWRTM-ZDUSSCGKSA-N -1 0 342.395 3.618 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)c2sccc2-c2ccc(F)cc2)c1 ZINC000740248617 600433268 /nfs/dbraw/zinc/43/32/68/600433268.db2.gz FXJROVNWKDIDDP-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM O=C([O-])[C@@H](Nc1ccc(OCc2cccnc2)cc1)c1ccccc1 ZINC000738523789 600434740 /nfs/dbraw/zinc/43/47/40/600434740.db2.gz DPRBNFVZUFTAEF-IBGZPJMESA-N -1 0 334.375 3.898 20 0 EHADRM Cc1ccnc(-c2cccc(N[C@H](C(=O)[O-])c3ccc(F)cc3)c2)n1 ZINC000738792565 600439259 /nfs/dbraw/zinc/43/92/59/600439259.db2.gz MZTNIGZCYXYAIP-KRWDZBQOSA-N -1 0 337.354 3.829 20 0 EHADRM Cc1c2ccccc2oc1C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738289152 600442293 /nfs/dbraw/zinc/44/22/93/600442293.db2.gz FHBFIYXTFIFMPB-MRXNPFEDSA-N -1 0 328.295 3.863 20 0 EHADRM CSc1ccc(C)c(C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000738214501 600449231 /nfs/dbraw/zinc/44/92/31/600449231.db2.gz ZGDLIFPZHOOJHL-HNNXBMFYSA-N -1 0 334.368 3.839 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)[C@@H]2CC2(Cl)Cl)s1 ZINC000736294745 600451459 /nfs/dbraw/zinc/45/14/59/600451459.db2.gz PZHBPGMLSYCJMK-ZETCQYMHSA-N -1 0 336.240 3.876 20 0 EHADRM Cc1oc(CN(C)C(=O)NCC[C@H]2CCCC[C@@H]2C)cc1C(=O)[O-] ZINC000738967056 600452247 /nfs/dbraw/zinc/45/22/47/600452247.db2.gz IWCVCBXVAMOXIJ-GXTWGEPZSA-N -1 0 336.432 3.644 20 0 EHADRM Cc1[nH]c(C(=O)[C@@H](C)OC(=O)[C@H](C)CC2CCCC2)c(C)c1C(=O)[O-] ZINC000738238823 600453856 /nfs/dbraw/zinc/45/38/56/600453856.db2.gz ZGDFDRZPVVUCIC-ZWNOBZJWSA-N -1 0 349.427 3.661 20 0 EHADRM CC(C)(C)c1nc(C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)cs1 ZINC000736302694 600454627 /nfs/dbraw/zinc/45/46/27/600454627.db2.gz CGGBUOWSHYYSBK-LBPRGKRZSA-N -1 0 337.372 3.562 20 0 EHADRM CC[C@H](NC(=O)NCCCCCC(=O)[O-])c1ccc(Cl)s1 ZINC000414631657 600456071 /nfs/dbraw/zinc/45/60/71/600456071.db2.gz RBSJWCOGJJYOOW-JTQLQIEISA-N -1 0 332.853 3.797 20 0 EHADRM C[C@@H]1CCCCCN1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736785656 600456413 /nfs/dbraw/zinc/45/64/13/600456413.db2.gz VASQABADMDXRBN-SNVBAGLBSA-N -1 0 342.342 3.783 20 0 EHADRM CC[C@@H]1c2ccccc2CCN1C(=O)NCCCCCCC(=O)[O-] ZINC000736950760 600456445 /nfs/dbraw/zinc/45/64/45/600456445.db2.gz QWCAMWSBEWDIPM-QGZVFWFLSA-N -1 0 332.444 3.741 20 0 EHADRM O=C([O-])CCCCNC(=O)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC000237922875 600459440 /nfs/dbraw/zinc/45/94/40/600459440.db2.gz ROEZTJNCEAMTBQ-UHFFFAOYSA-N -1 0 349.333 3.742 20 0 EHADRM O=C([O-])c1cc(OCc2cc(-c3ccccc3)no2)ccc1[N+](=O)[O-] ZINC000327648624 600461970 /nfs/dbraw/zinc/46/19/70/600461970.db2.gz VFAKZACFBZMVBZ-UHFFFAOYSA-N -1 0 340.291 3.527 20 0 EHADRM O=C([O-])[C@@H](OC(=O)CC/C=C\c1ccccc1)c1ccc(F)cc1 ZINC000739235425 600466449 /nfs/dbraw/zinc/46/64/49/600466449.db2.gz JSDQCRXJGJZLCC-MSEQUDFZSA-N -1 0 328.339 3.988 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)N(C)c1nc(CC(=O)[O-])cs1)c1ccccc1 ZINC000736868880 600470096 /nfs/dbraw/zinc/47/00/96/600470096.db2.gz BWHMRWXSIWQOHS-BLLLJJGKSA-N -1 0 346.452 3.563 20 0 EHADRM CC[C@H](C)[C@H]1CCCCN1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000736879274 600474399 /nfs/dbraw/zinc/47/43/99/600474399.db2.gz COEJPXPPBXVKOF-XJKSGUPXSA-N -1 0 334.416 3.583 20 0 EHADRM C[C@@H]1c2ccc(F)cc2CCN1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000736840479 600475562 /nfs/dbraw/zinc/47/55/62/600475562.db2.gz MRPHRIPKDQNABR-SNVBAGLBSA-N -1 0 346.333 3.814 20 0 EHADRM Cc1ncc(/C=C/C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)s1 ZINC000738370736 600477687 /nfs/dbraw/zinc/47/76/87/600477687.db2.gz MFKYCFHGXAFROE-VOTSOKGWSA-N -1 0 348.449 3.742 20 0 EHADRM C[C@H](C(=O)NCc1ccc(C(=O)[O-])o1)c1c(Cl)cccc1Cl ZINC000678983277 600480010 /nfs/dbraw/zinc/48/00/10/600480010.db2.gz QLTZILAYRARXBR-QMMMGPOBSA-N -1 0 342.178 3.705 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2ccc(Oc3ccccc3)cc2)o1 ZINC000238133408 600480389 /nfs/dbraw/zinc/48/03/89/600480389.db2.gz ONUPYRSNATUQRI-UHFFFAOYSA-N -1 0 337.331 3.700 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)Nc2cccc3[nH]ccc32)cc1 ZINC000740022542 600480677 /nfs/dbraw/zinc/48/06/77/600480677.db2.gz FEDPPLNRGJDOPR-UHFFFAOYSA-N -1 0 338.367 3.622 20 0 EHADRM CC[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000736930035 600481749 /nfs/dbraw/zinc/48/17/49/600481749.db2.gz TWRRFMWPKPORHQ-HNNXBMFYSA-N -1 0 331.347 3.534 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)N2CCC3(CCCC3)CC2)cc1 ZINC000739987613 600484335 /nfs/dbraw/zinc/48/43/35/600484335.db2.gz BVCWOZFYPVFMAG-UHFFFAOYSA-N -1 0 331.416 3.642 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)C(=O)c1ccccc1 ZINC000736549053 600489723 /nfs/dbraw/zinc/48/97/23/600489723.db2.gz RIRQJDCLPRFMNH-NSHDSACASA-N -1 0 345.782 3.886 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000263087024 600490036 /nfs/dbraw/zinc/49/00/36/600490036.db2.gz VEORMMZAOIKROW-WBVHZDCISA-N -1 0 348.418 3.563 20 0 EHADRM CC[C@@H](C)[C@H]1CCCCN1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736881109 600498354 /nfs/dbraw/zinc/49/83/54/600498354.db2.gz WJNKOFYBPOCFAU-RHSMWYFYSA-N -1 0 347.459 3.929 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)Nc2ccccc2F)cc1 ZINC000739686845 600504483 /nfs/dbraw/zinc/50/44/83/600504483.db2.gz VRNYFAAUPSFJOV-UHFFFAOYSA-N -1 0 332.331 3.713 20 0 EHADRM CC(=O)Nc1ccc(NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000324666414 600511761 /nfs/dbraw/zinc/51/17/61/600511761.db2.gz FNRXTYAAXALMNF-UHFFFAOYSA-N -1 0 347.758 3.641 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCCCNc2ccccc2)cc1Cl ZINC000739417128 600512812 /nfs/dbraw/zinc/51/28/12/600512812.db2.gz SCQGPWFIPBWVMS-UHFFFAOYSA-N -1 0 347.802 3.662 20 0 EHADRM CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000324711373 600513524 /nfs/dbraw/zinc/51/35/24/600513524.db2.gz DFEDNFRYHXFICB-UHFFFAOYSA-N -1 0 343.770 3.574 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@@H]2CCc3c2cccc3F)cc1Cl ZINC000739465070 600514392 /nfs/dbraw/zinc/51/43/92/600514392.db2.gz OMOPACKCHYFVCJ-OAHLLOKOSA-N -1 0 348.761 3.986 20 0 EHADRM C[C@H](CCc1ccco1)NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000320768831 600516327 /nfs/dbraw/zinc/51/63/27/600516327.db2.gz GLBJLEXSNBVZCO-SNVBAGLBSA-N -1 0 336.775 3.774 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)CCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000035389257 600522163 /nfs/dbraw/zinc/52/21/63/600522163.db2.gz QRQLNPRXTUCLHG-ZDUSSCGKSA-N -1 0 332.227 3.542 20 0 EHADRM CCN(C(=O)CCc1c[nH]c2ccccc12)c1ccccc1C(=O)[O-] ZINC000737054189 600524372 /nfs/dbraw/zinc/52/43/72/600524372.db2.gz ZYMYIJGVJADXAX-UHFFFAOYSA-N -1 0 336.391 3.852 20 0 EHADRM Cc1cccc([C@@H](C)C(=O)Nc2ccc(OCC(=O)[O-])cc2C)c1 ZINC000237492597 600524574 /nfs/dbraw/zinc/52/45/74/600524574.db2.gz VNSFDLHYDCRBHS-CQSZACIVSA-N -1 0 327.380 3.509 20 0 EHADRM O=C([O-])c1ccc(CNCc2c(Cl)cccc2OC(F)F)o1 ZINC000740133062 600524723 /nfs/dbraw/zinc/52/47/23/600524723.db2.gz SXCZOSHLEJBDQN-UHFFFAOYSA-N -1 0 331.702 3.522 20 0 EHADRM CC(C)c1ccc([C@@H](C)NC(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000736513922 600526913 /nfs/dbraw/zinc/52/69/13/600526913.db2.gz ZUGNTVNVWAZWOZ-GFCCVEGCSA-N -1 0 330.384 3.662 20 0 EHADRM C[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccccc1-c1ccc(Cl)cc1 ZINC000736633078 600529888 /nfs/dbraw/zinc/52/98/88/600529888.db2.gz KDVHEQDZLBMACO-MZPVMMEZSA-N -1 0 343.810 3.905 20 0 EHADRM CC(C)C[C@@H](NC(=O)NCc1ccc(C(=O)[O-])o1)c1cccs1 ZINC000736416825 600534215 /nfs/dbraw/zinc/53/42/15/600534215.db2.gz TWMMSMFSXKQUAE-GFCCVEGCSA-N -1 0 336.413 3.626 20 0 EHADRM CC(C)CCc1ccccc1NC(=O)NCc1ccc(C(=O)[O-])o1 ZINC000736435182 600542747 /nfs/dbraw/zinc/54/27/47/600542747.db2.gz BFRQJMZNFNGJDC-UHFFFAOYSA-N -1 0 330.384 3.888 20 0 EHADRM C[C@H](CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1F ZINC000237414771 600542994 /nfs/dbraw/zinc/54/29/94/600542994.db2.gz PTRPYNLWPFUNPT-SNVBAGLBSA-N -1 0 346.314 3.564 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC000736927250 600551855 /nfs/dbraw/zinc/55/18/55/600551855.db2.gz CCXNLHMSVLVCIW-CYBMUJFWSA-N -1 0 326.776 3.681 20 0 EHADRM C[C@@H]1CCCC[C@H]1OCC(=O)Oc1ccc(Cl)cc1C(=O)[O-] ZINC000736785805 600553910 /nfs/dbraw/zinc/55/39/10/600553910.db2.gz RSDIDTDZAXDSMY-ZWNOBZJWSA-N -1 0 326.776 3.539 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)[C@H](C)c1c(Cl)cccc1Cl ZINC000666364108 600562386 /nfs/dbraw/zinc/56/23/86/600562386.db2.gz MQFXSEGPIIYUNF-SNVBAGLBSA-N -1 0 332.227 3.809 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000236735500 600562961 /nfs/dbraw/zinc/56/29/61/600562961.db2.gz ZBGHZRLIDWHUIS-GFCCVEGCSA-N -1 0 345.361 3.911 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000740056915 600568648 /nfs/dbraw/zinc/56/86/48/600568648.db2.gz SCSFHSMAECWYRH-UHFFFAOYSA-N -1 0 325.368 3.629 20 0 EHADRM CCCCC1CCC(C(=O)NCc2cccc(OCC(=O)[O-])c2)CC1 ZINC000236822065 600578003 /nfs/dbraw/zinc/57/80/03/600578003.db2.gz AWJAVNMPKQWVMN-UHFFFAOYSA-N -1 0 347.455 3.763 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)c1cc2occc2s1 ZINC000740242197 600584814 /nfs/dbraw/zinc/58/48/14/600584814.db2.gz OVAWBRKZHKOPLO-UHFFFAOYSA-N -1 0 327.361 3.786 20 0 EHADRM C[C@@H](CC(=O)[O-])SCC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000736550012 600586073 /nfs/dbraw/zinc/58/60/73/600586073.db2.gz BRHRNQLLMKWIHG-RYUDHWBXSA-N -1 0 339.482 3.500 20 0 EHADRM COC(=O)c1sc2cccc(F)c2c1CS[C@@H](C)CC(=O)[O-] ZINC000737717494 600588715 /nfs/dbraw/zinc/58/87/15/600588715.db2.gz CKIKXPORFQMJCQ-QMMMGPOBSA-N -1 0 342.413 3.923 20 0 EHADRM Cc1sc2[nH]c([C@H](C)S[C@H](C)CC(=O)[O-])nc(=O)c2c1C ZINC000738399034 600589625 /nfs/dbraw/zinc/58/96/25/600589625.db2.gz QLZKHXWQHWFDCR-MUWHJKNJSA-N -1 0 326.443 3.671 20 0 EHADRM C[C@H](CC(=O)[O-])SCC(=O)N(Cc1ccco1)C1=CCCCC1 ZINC000736554042 600589744 /nfs/dbraw/zinc/58/97/44/600589744.db2.gz WBRBYTUTOHZYAP-CYBMUJFWSA-N -1 0 337.441 3.663 20 0 EHADRM C/C(=C/C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-])C1CC1 ZINC000736122289 600598523 /nfs/dbraw/zinc/59/85/23/600598523.db2.gz ZCHAKYLRTVKKCO-DEQJRXDXSA-N -1 0 337.419 3.556 20 0 EHADRM O=C(/C=C/c1ccco1)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000739214100 600599730 /nfs/dbraw/zinc/59/97/30/600599730.db2.gz CINDBKXTWNPDOQ-DVQDXYAYSA-N -1 0 349.386 3.506 20 0 EHADRM CC/C=C(\C)C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000736949039 600600564 /nfs/dbraw/zinc/60/05/64/600600564.db2.gz PPOYWOKECYSMFM-OEXZBZRSSA-N -1 0 325.408 3.556 20 0 EHADRM O=C([O-])CN(C(=O)c1cccc(OC2CCCC2)c1)c1ccccc1 ZINC000156318290 600605976 /nfs/dbraw/zinc/60/59/76/600605976.db2.gz OMRXVJZVOALHEL-UHFFFAOYSA-N -1 0 339.391 3.739 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccccc1OCc1cccc(Cl)c1 ZINC000561697308 600608037 /nfs/dbraw/zinc/60/80/37/600608037.db2.gz XQXLXWQXNUIBIO-UONOGXRCSA-N -1 0 345.782 3.578 20 0 EHADRM C[C@H](OC(=O)Cc1c[nH]c2ccc(Cl)cc12)c1ccc(C(=O)[O-])o1 ZINC000736694210 600619269 /nfs/dbraw/zinc/61/92/69/600619269.db2.gz TYKAOPQVIBRSSI-VIFPVBQESA-N -1 0 347.754 3.959 20 0 EHADRM Cc1cc(OCc2ccn(-c3cccc(F)c3)n2)c(C(=O)[O-])s1 ZINC000738474387 600639275 /nfs/dbraw/zinc/63/92/75/600639275.db2.gz NGVSEVIOTQHNTO-UHFFFAOYSA-N -1 0 332.356 3.659 20 0 EHADRM Cc1ccc(C(C)C)c(OS(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000738550060 600644801 /nfs/dbraw/zinc/64/48/01/600644801.db2.gz CYCZHCFHTYDNIB-UHFFFAOYSA-N -1 0 348.420 3.513 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@H](C(=O)[O-])C(C)(C)C)c1 ZINC000675983007 600645122 /nfs/dbraw/zinc/64/51/22/600645122.db2.gz FITJWNCVHUNOBF-CZUORRHYSA-N -1 0 335.444 3.501 20 0 EHADRM CCN(C(=O)CCC(=O)c1ccc(C)s1)c1ccccc1C(=O)[O-] ZINC000737053384 600646867 /nfs/dbraw/zinc/64/68/67/600646867.db2.gz TVHWAJUNRMGBDH-UHFFFAOYSA-N -1 0 345.420 3.771 20 0 EHADRM CC(C)c1nc2cc(NC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)ccc2o1 ZINC000392165244 600654992 /nfs/dbraw/zinc/65/49/92/600654992.db2.gz DCQFSNIYLLKAQB-NWDGAFQWSA-N -1 0 330.384 3.781 20 0 EHADRM CSc1ccc(O[C@@H](C)C(=O)Oc2cc(C(=O)[O-])ccc2C)cc1 ZINC000738213424 600661212 /nfs/dbraw/zinc/66/12/12/600661212.db2.gz WBLMYFXMRSMTQB-LBPRGKRZSA-N -1 0 346.404 3.788 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000262049543 600661926 /nfs/dbraw/zinc/66/19/26/600661926.db2.gz IGLDSMOPNPGVCI-FOIPXRHGSA-N -1 0 329.440 3.673 20 0 EHADRM CC(C)(C)OCc1cccc(CNC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000179994031 600665028 /nfs/dbraw/zinc/66/50/28/600665028.db2.gz FKCCHLHIYMOJOJ-IRXDYDNUSA-N -1 0 347.455 3.509 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000736562985 600671661 /nfs/dbraw/zinc/67/16/61/600671661.db2.gz ULAZRBIMTUTNSL-RDTXWAMCSA-N -1 0 343.398 3.679 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)Oc1ccccc1CC(=O)[O-] ZINC000736710106 600675850 /nfs/dbraw/zinc/67/58/50/600675850.db2.gz ZKQFJTMWCQBORH-ZDUSSCGKSA-N -1 0 330.405 3.541 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)c1ccc(OC2CCCC2)cc1 ZINC000739895809 600675903 /nfs/dbraw/zinc/67/59/03/600675903.db2.gz HOWSGMFTZOVNGZ-UHFFFAOYSA-N -1 0 340.375 3.854 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1c(F)cc(F)cc1F)c1cccc(Cl)c1 ZINC000833349365 600688472 /nfs/dbraw/zinc/68/84/72/600688472.db2.gz CHIYIVIWYOJRFA-CYBMUJFWSA-N -1 0 344.672 3.740 20 0 EHADRM Cc1ccc(C(=O)CCc2nc(-c3cccc(C(=O)[O-])c3)no2)s1 ZINC000832910708 600692926 /nfs/dbraw/zinc/69/29/26/600692926.db2.gz BLBAGYMJBORUPR-UHFFFAOYSA-N -1 0 342.376 3.620 20 0 EHADRM Cc1ccc(-c2nc(CN[C@@H](C(=O)[O-])c3ccccc3F)co2)cc1 ZINC000756334037 600694662 /nfs/dbraw/zinc/69/46/62/600694662.db2.gz WUZGPEZBEMVCGC-QGZVFWFLSA-N -1 0 340.354 3.705 20 0 EHADRM O=C([O-])c1cccc(-c2noc([C@@H]3C[C@@]34CCOc3ccccc34)n2)c1 ZINC000833328096 600694864 /nfs/dbraw/zinc/69/48/64/600694864.db2.gz VHVKEMSCQDJCSM-MGPUTAFESA-N -1 0 348.358 3.643 20 0 EHADRM Cc1oc(COC(=O)c2c[nH]cc2-c2ccc(F)cc2)cc1C(=O)[O-] ZINC000833028019 600698553 /nfs/dbraw/zinc/69/85/53/600698553.db2.gz ZLHFXUYQYAOZGN-UHFFFAOYSA-N -1 0 343.310 3.777 20 0 EHADRM C[C@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000826061133 600701006 /nfs/dbraw/zinc/70/10/06/600701006.db2.gz AGKHDBVIXYLBOL-ZUZCIYMTSA-N -1 0 336.746 3.952 20 0 EHADRM CCCN(C(=O)c1ccc(C(=O)[O-])s1)[C@H]1C[C@H](OCC)C1(C)C ZINC000236754491 600701549 /nfs/dbraw/zinc/70/15/49/600701549.db2.gz XUAZUWSNJVNGIQ-KBPBESRZSA-N -1 0 339.457 3.502 20 0 EHADRM C[C@H](OC(=O)[C@H]1CCSc2ccccc21)c1ccc(C(=O)[O-])o1 ZINC000827826784 600709943 /nfs/dbraw/zinc/70/99/43/600709943.db2.gz PBMIBOQUARUWCG-JQWIXIFHSA-N -1 0 332.377 3.862 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)[C@H]1CCSc2ccccc21 ZINC000833298754 600710837 /nfs/dbraw/zinc/71/08/37/600710837.db2.gz FIXRQVPYUMMUNG-AWEZNQCLSA-N -1 0 346.379 3.847 20 0 EHADRM Cc1cncc(C(=O)OCc2c3ccccc3sc2C(=O)[O-])c1 ZINC000832987112 600714774 /nfs/dbraw/zinc/71/47/74/600714774.db2.gz WAIBLTRVCUDWLI-UHFFFAOYSA-N -1 0 327.361 3.660 20 0 EHADRM O=C(/C=C/C1CC1)OCc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833093086 600719556 /nfs/dbraw/zinc/71/95/56/600719556.db2.gz TVSLBDFRZREUPJ-FPYGCLRLSA-N -1 0 329.377 3.518 20 0 EHADRM Cc1cc(COC(=O)[C@H](C)CCc2cccc(F)c2)oc1C(=O)[O-] ZINC000832886521 600722866 /nfs/dbraw/zinc/72/28/66/600722866.db2.gz TZSUJGRITJMGNL-LLVKDONJSA-N -1 0 334.343 3.737 20 0 EHADRM Cc1nc(C2CCCC2)sc1C(=O)OCc1cc(C(=O)[O-])co1 ZINC000832997222 600724764 /nfs/dbraw/zinc/72/47/64/600724764.db2.gz UHNYRUMQUFETSG-UHFFFAOYSA-N -1 0 335.381 3.757 20 0 EHADRM C/C(=C/CSc1nnc(Nc2cccc(F)c2)s1)C(=O)[O-] ZINC000825792733 600726172 /nfs/dbraw/zinc/72/61/72/600726172.db2.gz IEKAEDIBXJSISB-YVMONPNESA-N -1 0 325.390 3.544 20 0 EHADRM CCO[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(C(=O)[O-])c2)C12CCCC2 ZINC000737156091 600729068 /nfs/dbraw/zinc/72/90/68/600729068.db2.gz CCVBLZKPYMWUGP-JKSUJKDBSA-N -1 0 346.427 3.586 20 0 EHADRM O=C([O-])[C@H](NCc1ccc(Cl)nc1)c1ccc(Cl)cc1Cl ZINC000833167101 600741654 /nfs/dbraw/zinc/74/16/54/600741654.db2.gz XOYVVHFBAAOYPC-CYBMUJFWSA-N -1 0 345.613 3.957 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cc(Oc2ccccc2)ccn1)c1ccccc1 ZINC000833349021 600741669 /nfs/dbraw/zinc/74/16/69/600741669.db2.gz ANRGTSVHVKNYEH-SFHVURJKSA-N -1 0 349.342 3.857 20 0 EHADRM C[C@@H](CCOc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000827421898 600742044 /nfs/dbraw/zinc/74/20/44/600742044.db2.gz DEHVOJOUCUUSQF-SUMWQHHRSA-N -1 0 346.354 3.600 20 0 EHADRM Cc1cc(C)cc(CCNC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000738363592 600743672 /nfs/dbraw/zinc/74/36/72/600743672.db2.gz KMEGXYMRUFQHED-UHFFFAOYSA-N -1 0 348.349 3.644 20 0 EHADRM CCC[C@H](CCc1ccccc1)NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263219299 600746917 /nfs/dbraw/zinc/74/69/17/600746917.db2.gz KEQZFRWKMYYVDJ-LXPRWKDFSA-N -1 0 346.471 3.731 20 0 EHADRM Cc1cccnc1CN[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000832983988 600748137 /nfs/dbraw/zinc/74/81/37/600748137.db2.gz SBFINCNGNRBNMA-AWEZNQCLSA-N -1 0 325.195 3.612 20 0 EHADRM CC(C)(CC(=O)[O-])NC(=O)c1cc(-c2ccccc2)ccc1Cl ZINC000736311789 600777398 /nfs/dbraw/zinc/77/73/98/600777398.db2.gz BKJSWOVGYWNENP-UHFFFAOYSA-N -1 0 331.799 3.990 20 0 EHADRM CC(C)(CC(=O)[O-])NC(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1 ZINC000736309625 600782433 /nfs/dbraw/zinc/78/24/33/600782433.db2.gz DVOKUEIQWLJVLG-NTMALXAHSA-N -1 0 347.411 3.937 20 0 EHADRM CCC[C@@H](C)CC(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000236848930 600794191 /nfs/dbraw/zinc/79/41/91/600794191.db2.gz VASGDFISFZQHGZ-GFCCVEGCSA-N -1 0 327.371 3.594 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc2ccsc2[nH]1)c1cccc(Cl)c1 ZINC000833199427 600798584 /nfs/dbraw/zinc/79/85/84/600798584.db2.gz YJGONOUBUFXJFL-LBPRGKRZSA-N -1 0 348.811 3.829 20 0 EHADRM COc1ccc(C(=O)[O-])c(OCCOc2ccc(SC)cc2)c1 ZINC000832182214 600801689 /nfs/dbraw/zinc/80/16/89/600801689.db2.gz FJCPWFMNIGIJIT-UHFFFAOYSA-N -1 0 334.393 3.573 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1CCc2ccccc21)c1cccc(Cl)c1 ZINC000776673594 600801799 /nfs/dbraw/zinc/80/17/99/600801799.db2.gz NPJGTHKKRIGOEJ-IRXDYDNUSA-N -1 0 343.810 3.702 20 0 EHADRM CSc1ccc(F)cc1CNc1nc(Cl)c(C(=O)[O-])s1 ZINC000832781041 600804081 /nfs/dbraw/zinc/80/40/81/600804081.db2.gz OXVUTFUWGFJHGA-UHFFFAOYSA-N -1 0 332.809 3.968 20 0 EHADRM O=C([O-])C[C@H](NC(=O)/C=C\c1ccccc1)c1cccc(Cl)c1 ZINC000776671398 600805008 /nfs/dbraw/zinc/80/50/08/600805008.db2.gz BMNHYHKSLUQVIX-YDZSZYSISA-N -1 0 329.783 3.685 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)sc1C ZINC000776674719 600805237 /nfs/dbraw/zinc/80/52/37/600805237.db2.gz LIYGPJVOAJMTTI-ZDUSSCGKSA-N -1 0 337.828 3.964 20 0 EHADRM C[C@@H](SC[C@@H](C)C(=O)[O-])c1nc(-c2ccc(Cl)cc2)no1 ZINC000827574764 600806650 /nfs/dbraw/zinc/80/66/50/600806650.db2.gz GAMOOILYNFIASI-RKDXNWHRSA-N -1 0 326.805 3.905 20 0 EHADRM Cc1ccc2cccc(C(=O)O[C@H](C(=O)[O-])c3ccc(F)cc3)c2n1 ZINC000738674735 600807391 /nfs/dbraw/zinc/80/73/91/600807391.db2.gz AJCAXNROXKQGNZ-KRWDZBQOSA-N -1 0 339.322 3.665 20 0 EHADRM CN(Cc1csc(-c2cccc(C(=O)[O-])c2)n1)Cc1ccco1 ZINC000830869677 600815982 /nfs/dbraw/zinc/81/59/82/600815982.db2.gz CLVFUMUHTGICHX-UHFFFAOYSA-N -1 0 328.393 3.733 20 0 EHADRM CC[C@@H]1CO[C@@H](C)CN1Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000577856928 600817881 /nfs/dbraw/zinc/81/78/81/600817881.db2.gz KJAWPJRRUZFZKP-BLLLJJGKSA-N -1 0 346.452 3.508 20 0 EHADRM C[C@H](CC(=O)[O-])S[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000736550979 600818202 /nfs/dbraw/zinc/81/82/02/600818202.db2.gz IOLWWKBLSJVKMX-NXEZZACHSA-N -1 0 340.832 3.971 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=S)N[C@@H]1CCOc2ccccc21 ZINC000738535749 600819441 /nfs/dbraw/zinc/81/94/41/600819441.db2.gz PKHLWHQORIBRAW-CQSZACIVSA-N -1 0 342.420 3.503 20 0 EHADRM Cc1ccccc1NC(=S)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000738778170 600820395 /nfs/dbraw/zinc/82/03/95/600820395.db2.gz MZOKQAYEJXHHMJ-ZDUSSCGKSA-N -1 0 326.421 3.770 20 0 EHADRM Cc1ccccc1-c1cnc(CN(CC(=O)[O-])Cc2ccccc2)o1 ZINC000832973398 600821439 /nfs/dbraw/zinc/82/14/39/600821439.db2.gz AJSZCXXIBKWIHV-UHFFFAOYSA-N -1 0 336.391 3.737 20 0 EHADRM CC/C(=C/C(=O)Nc1nc(C)c(C(=O)[O-])s1)c1ccc(C)cc1 ZINC000736833766 600825272 /nfs/dbraw/zinc/82/52/72/600825272.db2.gz DZVNLWPAAHXMMN-XFXZXTDPSA-N -1 0 330.409 3.890 20 0 EHADRM Cc1cc(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)sc1C(=O)[O-] ZINC000738234154 600826339 /nfs/dbraw/zinc/82/63/39/600826339.db2.gz HJVGDULPUFYSIN-KOLCDFICSA-N -1 0 337.347 3.775 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)Oc2ccc(C(=O)[O-])cc2Br)C1 ZINC000736773209 600829422 /nfs/dbraw/zinc/82/94/22/600829422.db2.gz BHELRMKKLLDUER-KOLCDFICSA-N -1 0 341.201 3.879 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000737874446 600829656 /nfs/dbraw/zinc/82/96/56/600829656.db2.gz USZXXFUVJJFGKM-JIHRLENESA-N -1 0 344.407 3.915 20 0 EHADRM Cc1nc2ccccc2c(S[C@H](C(=O)[O-])c2ccccc2F)n1 ZINC000833003611 600832614 /nfs/dbraw/zinc/83/26/14/600832614.db2.gz URWQZRRTEXMZHD-HNNXBMFYSA-N -1 0 328.368 3.995 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000738541444 600832950 /nfs/dbraw/zinc/83/29/50/600832950.db2.gz SQYWWBFKOPWDAI-JSGCOSHPSA-N -1 0 332.302 3.681 20 0 EHADRM O=C([O-])[C@@H](Sc1nnc(-c2ccccc2)o1)c1ccccc1F ZINC000833168959 600834001 /nfs/dbraw/zinc/83/40/01/600834001.db2.gz GVTYCTNOLLGBMK-ZDUSSCGKSA-N -1 0 330.340 3.794 20 0 EHADRM CN(Cc1ccccc1C(F)(F)F)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000179953144 600835289 /nfs/dbraw/zinc/83/52/89/600835289.db2.gz GVUNNUWHWSMKRU-NEPJUHHUSA-N -1 0 343.345 3.555 20 0 EHADRM Cc1ccc(C)c([C@H]2CN(Cc3ccc(C(=O)[O-])o3)[C@H](C)CO2)c1 ZINC000579848103 600835467 /nfs/dbraw/zinc/83/54/67/600835467.db2.gz MQNQVIRDMYFHPV-RDTXWAMCSA-N -1 0 329.396 3.557 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N1CCN(Cc2ccc(C(=O)[O-])o2)CC1 ZINC000827935392 600838130 /nfs/dbraw/zinc/83/81/30/600838130.db2.gz QCNWLGBEVMPKJP-ZDUSSCGKSA-N -1 0 348.830 3.510 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)[C@@H]1C[C@H]1C1CCCCC1)c1ccccc1 ZINC000362331034 600840035 /nfs/dbraw/zinc/84/00/35/600840035.db2.gz XOHBLOZNDCOWFM-KSZLIROESA-N -1 0 329.440 3.925 20 0 EHADRM COC(=O)[C@@H](SC[C@@H](C)C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000831083764 600840183 /nfs/dbraw/zinc/84/01/83/600840183.db2.gz BVCAFVLPWNXSDM-HQJQHLMTSA-N -1 0 337.224 3.661 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000736622641 600846425 /nfs/dbraw/zinc/84/64/25/600846425.db2.gz SWLYHXBPMOURKR-DZGCQCFKSA-N -1 0 341.382 3.609 20 0 EHADRM Cc1cccc(NC(=O)N[C@H](CC(=O)[O-])c2ccccc2)c1Cl ZINC000323622201 600846369 /nfs/dbraw/zinc/84/63/69/600846369.db2.gz CHCXVENAWVXKFX-CQSZACIVSA-N -1 0 332.787 3.986 20 0 EHADRM Cc1cc(F)cc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)c1 ZINC000832887456 600854570 /nfs/dbraw/zinc/85/45/70/600854570.db2.gz BRECUYBCRUPBEM-UHFFFAOYSA-N -1 0 342.370 3.685 20 0 EHADRM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)NCCCCCCC(=O)[O-])cc1 ZINC000262893617 600857278 /nfs/dbraw/zinc/85/72/78/600857278.db2.gz ANOJERXATKYVCF-MJGOQNOKSA-N -1 0 347.455 3.614 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)C[C@@H]2CCc3ccccc3C2)c2ccccc21 ZINC000739640644 600857566 /nfs/dbraw/zinc/85/75/66/600857566.db2.gz FKGMXQUOHQXFMC-QAPCUYQASA-N -1 0 349.430 3.787 20 0 EHADRM CCc1sc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cc1C ZINC000321138605 600857591 /nfs/dbraw/zinc/85/75/91/600857591.db2.gz KJPCVZDCEZWIHX-GFCCVEGCSA-N -1 0 329.421 3.838 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)c2ccc(C(F)F)cc2)c2ccccc21 ZINC000739645330 600859833 /nfs/dbraw/zinc/85/98/33/600859833.db2.gz CNWKESHBYZYAAM-ZDUSSCGKSA-N -1 0 331.318 3.843 20 0 EHADRM Cc1ccc(C(C)(C)C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000738546516 600862209 /nfs/dbraw/zinc/86/22/09/600862209.db2.gz HMLJQAZZTSDEHU-HNNXBMFYSA-N -1 0 337.419 3.878 20 0 EHADRM Cc1ccccc1C(C)(C)C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000738756909 600862351 /nfs/dbraw/zinc/86/23/51/600862351.db2.gz QFBASDHDVNWMQC-OAHLLOKOSA-N -1 0 337.419 3.878 20 0 EHADRM COc1ccc(NC(=O)[C@H](C)CCc2cccc(F)c2)c(C(=O)[O-])c1 ZINC000832388467 600875301 /nfs/dbraw/zinc/87/53/01/600875301.db2.gz IQHKKDVYKSTRKR-GFCCVEGCSA-N -1 0 345.370 3.740 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1 ZINC000327444707 600880404 /nfs/dbraw/zinc/88/04/04/600880404.db2.gz QDZGOADOBFFOCL-UHFFFAOYSA-N -1 0 349.333 3.903 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2cc(Cl)cc3cccnc32)C1 ZINC000323486259 600881854 /nfs/dbraw/zinc/88/18/54/600881854.db2.gz QXAMNUNNGYSJDK-NWDGAFQWSA-N -1 0 332.787 3.718 20 0 EHADRM CN(Cc1c(Cl)cccc1Cl)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000647117266 600885272 /nfs/dbraw/zinc/88/52/72/600885272.db2.gz OFFYQMJHTXACAN-GHMZBOCLSA-N -1 0 344.238 3.843 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(C(=O)C1CCC(c3ccccc3)CC1)CC2 ZINC000262500854 600885404 /nfs/dbraw/zinc/88/54/04/600885404.db2.gz YLZTVYANVBORNC-ABHNRTSZSA-N -1 0 341.451 3.674 20 0 EHADRM Cc1cc(C)cc(-c2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)[O-])cc2)c1 ZINC000736745820 600885843 /nfs/dbraw/zinc/88/58/43/600885843.db2.gz LHQGABHFMRKDIZ-SFHVURJKSA-N -1 0 336.391 3.683 20 0 EHADRM CC(C)CN(CCc1ccc(F)cc1)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000826881398 600886363 /nfs/dbraw/zinc/88/63/63/600886363.db2.gz RNFMPTMEAUWRKA-DLBZAZTESA-N -1 0 349.446 3.744 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)NCC2(c3ccccc3)CCCCC2)C1 ZINC000540924166 600888179 /nfs/dbraw/zinc/88/81/79/600888179.db2.gz GEWCMSIEQTZGRQ-IRXDYDNUSA-N -1 0 343.467 3.896 20 0 EHADRM CCN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000506674804 600889976 /nfs/dbraw/zinc/88/99/76/600889976.db2.gz MCKBFZCADFPDDY-UHFFFAOYSA-N -1 0 347.436 3.525 20 0 EHADRM C/C(=C\C(=O)N[C@H](C(=O)[O-])C(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC000736120943 600890628 /nfs/dbraw/zinc/89/06/28/600890628.db2.gz MKYXRVATSIQYFU-QSYFUGGGSA-N -1 0 343.345 3.724 20 0 EHADRM CN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000179985199 600895189 /nfs/dbraw/zinc/89/51/89/600895189.db2.gz DWZBQFSLJWKJPG-CHWSQXEVSA-N -1 0 343.345 3.555 20 0 EHADRM O=C(/C=C/c1nc2ccccc2s1)Nc1ccc(C(=O)[O-])s1 ZINC000833095722 600901039 /nfs/dbraw/zinc/90/10/39/600901039.db2.gz RPCMPRZTHNADHB-SOFGYWHQSA-N -1 0 330.390 3.708 20 0 EHADRM O=C([O-])c1ccc(NC(=O)COc2cccc3ccccc32)s1 ZINC000833114509 600901073 /nfs/dbraw/zinc/90/10/73/600901073.db2.gz GBEBWNXWPUUPKD-UHFFFAOYSA-N -1 0 327.361 3.617 20 0 EHADRM COc1ccc(N(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)[C@H](C)C2CC2)cc1 ZINC000245707380 600918218 /nfs/dbraw/zinc/91/82/18/600918218.db2.gz MRAFVUVASRHQLQ-FVQBIDKESA-N -1 0 345.439 3.718 20 0 EHADRM CCC(CC)(NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000342545001 600926489 /nfs/dbraw/zinc/92/64/89/600926489.db2.gz KUHHTYRIVFKJIO-GHMZBOCLSA-N -1 0 344.238 3.857 20 0 EHADRM O=C([O-])c1ccc(OC(=O)[C@H]2SCCc3ccccc32)c(Cl)c1 ZINC000833321922 600941175 /nfs/dbraw/zinc/94/11/75/600941175.db2.gz RCXXRPCIQNTKGB-HNNXBMFYSA-N -1 0 348.807 3.974 20 0 EHADRM Cc1oc(COC(=O)[C@@]2(C)CCc3ccccc3C2)cc1C(=O)[O-] ZINC000833027531 600942184 /nfs/dbraw/zinc/94/21/84/600942184.db2.gz UZBYBDMLJIYENQ-IBGZPJMESA-N -1 0 328.364 3.525 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000833187195 600942338 /nfs/dbraw/zinc/94/23/38/600942338.db2.gz QMVHMYWSNKAZBE-NXEZZACHSA-N -1 0 336.438 3.701 20 0 EHADRM O=C([O-])c1ccc(COC(=O)C2CCC(c3ccccc3)CC2)o1 ZINC000833315403 600943245 /nfs/dbraw/zinc/94/32/45/600943245.db2.gz RSYYBHOQLSMNGW-UHFFFAOYSA-N -1 0 328.364 3.995 20 0 EHADRM COC(=O)c1cc(NC(=O)C[C@H](C)CC(C)(C)C)ccc1C(=O)[O-] ZINC000831264868 600948350 /nfs/dbraw/zinc/94/83/50/600948350.db2.gz RHAAGOHPCVWLGP-NSHDSACASA-N -1 0 335.400 3.572 20 0 EHADRM O=C([O-])[C@@H](OC(=O)Cc1cc(F)ccc1F)c1cccc(Cl)c1 ZINC000833116844 600948800 /nfs/dbraw/zinc/94/88/00/600948800.db2.gz ICLDRTWVYIXONI-HNNXBMFYSA-N -1 0 340.709 3.530 20 0 EHADRM CC(C)C[C@H](OC(=O)c1ccc(Oc2cccnc2)cc1)C(=O)[O-] ZINC000826820248 600950210 /nfs/dbraw/zinc/95/02/10/600950210.db2.gz PJIVMWDMKRTTLW-INIZCTEOSA-N -1 0 329.352 3.530 20 0 EHADRM CN(C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1cc(Cl)cc(Cl)c1 ZINC000830464727 600952275 /nfs/dbraw/zinc/95/22/75/600952275.db2.gz LHPXWNLDBHTTFE-UWVGGRQHSA-N -1 0 330.211 3.847 20 0 EHADRM Cc1ccc(-c2cnc(CCC(=O)O[C@@H](CC(C)C)C(=O)[O-])o2)cc1 ZINC000832906951 600956266 /nfs/dbraw/zinc/95/62/66/600956266.db2.gz GICWJMFZWDIGLX-HNNXBMFYSA-N -1 0 345.395 3.625 20 0 EHADRM CCO[C@H]1C[C@H](OC(=O)c2ccc(C(=O)[O-])cc2)C12CCCCC2 ZINC000829930926 600960893 /nfs/dbraw/zinc/96/08/93/600960893.db2.gz FRGSPVWIZDGGOL-HOTGVXAUSA-N -1 0 332.396 3.670 20 0 EHADRM CCO[C@H]1C[C@@H](OC(=O)c2cccc(C(=O)[O-])c2)C12CCCCC2 ZINC000829931942 600960973 /nfs/dbraw/zinc/96/09/73/600960973.db2.gz YFEJBFWTHBDTNQ-JKSUJKDBSA-N -1 0 332.396 3.670 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccc(C(=O)[O-])cc2)o1 ZINC000237530620 600962004 /nfs/dbraw/zinc/96/20/04/600962004.db2.gz HKBKJVIYBAZSIW-WBMJQRKESA-N -1 0 327.380 3.900 20 0 EHADRM COc1cc(CN2C[C@@H](CC(=O)[O-])c3ccccc32)ccc1SC ZINC000737882135 600962059 /nfs/dbraw/zinc/96/20/59/600962059.db2.gz ZSOYQZJEGQNOHN-CQSZACIVSA-N -1 0 343.448 3.996 20 0 EHADRM Cc1cc2c(cc1C)O[C@@H](C(=O)Oc1ccc(C(=O)[O-])cc1Cl)C2 ZINC000832905864 600965396 /nfs/dbraw/zinc/96/53/96/600965396.db2.gz LUIARGDZXCIQPL-MRXNPFEDSA-N -1 0 346.766 3.564 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000827427989 600970217 /nfs/dbraw/zinc/97/02/17/600970217.db2.gz OZVVWOCXBBMFGB-NSHDSACASA-N -1 0 333.334 3.870 20 0 EHADRM Cc1cc(NC(=S)N[C@@H]2CCc3ccccc3C2)ccc1C(=O)[O-] ZINC000832897760 600971035 /nfs/dbraw/zinc/97/10/35/600971035.db2.gz WJDAFIAHIBDADN-MRXNPFEDSA-N -1 0 340.448 3.537 20 0 EHADRM CCOc1c(F)cccc1C(=O)N(c1ccccc1)[C@@H](CC)C(=O)[O-] ZINC000830027209 600973698 /nfs/dbraw/zinc/97/36/98/600973698.db2.gz RANKSHLBCXGNDW-INIZCTEOSA-N -1 0 345.370 3.734 20 0 EHADRM O=C([O-])c1cccnc1SCc1ncc(-c2ccccc2F)o1 ZINC000740240916 600985259 /nfs/dbraw/zinc/98/52/59/600985259.db2.gz MLLZXRHUUBXOIG-UHFFFAOYSA-N -1 0 330.340 3.866 20 0 EHADRM O=C([O-])[C@@H](Sc1n[nH]c(-c2cc(F)cc(F)c2)n1)c1ccccc1 ZINC000739512093 600987708 /nfs/dbraw/zinc/98/77/08/600987708.db2.gz LTTUJYSIIGXOJE-ZDUSSCGKSA-N -1 0 347.346 3.668 20 0 EHADRM COc1cccc(NC(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000832561925 600995230 /nfs/dbraw/zinc/99/52/30/600995230.db2.gz GLEPRKKZMJXLDK-OAHLLOKOSA-N -1 0 348.786 3.686 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CCSc2ccccc21)c1ccccc1 ZINC000738563008 600998869 /nfs/dbraw/zinc/99/88/69/600998869.db2.gz FSZJHYVIJVTYRL-CVEARBPZSA-N -1 0 341.432 3.598 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1cc(Cl)cc2cccnc21)C(=O)[O-] ZINC000826775292 601002778 /nfs/dbraw/zinc/00/27/78/601002778.db2.gz XAPXEJMOERPWEV-LBPRGKRZSA-N -1 0 349.818 3.757 20 0 EHADRM CC[C@](NCc1coc(-c2ccccc2)n1)(C(=O)[O-])c1ccccc1 ZINC000828988909 601003637 /nfs/dbraw/zinc/00/36/37/601003637.db2.gz JPJCUAHJECIVJF-HXUWFJFHSA-N -1 0 336.391 3.821 20 0 EHADRM Cn1c(C(=O)Nc2sccc2C(=O)[O-])ccc1-c1ccccc1 ZINC000739012750 601004172 /nfs/dbraw/zinc/00/41/72/601004172.db2.gz NYAZJAMPBBDIIK-UHFFFAOYSA-N -1 0 326.377 3.704 20 0 EHADRM CCC(CC)c1cc(CNC(=O)Nc2ccc(C(=O)[O-])cc2)on1 ZINC000828861611 601007310 /nfs/dbraw/zinc/00/73/10/601007310.db2.gz BVRHPZWGFKXKIO-UHFFFAOYSA-N -1 0 331.372 3.598 20 0 EHADRM Cn1c(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)ccc1-c1ccccc1 ZINC000192941199 601010287 /nfs/dbraw/zinc/01/02/87/601010287.db2.gz BXCHMNHKKCUCDK-MRXNPFEDSA-N -1 0 346.386 3.521 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1ccc(OC)cc1C)c1ccccc1 ZINC000736850894 601011642 /nfs/dbraw/zinc/01/16/42/601011642.db2.gz MIRIDTCFDJAZQW-QGZVFWFLSA-N -1 0 327.380 3.514 20 0 EHADRM CC1(C)CCC(NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC000321337071 601012205 /nfs/dbraw/zinc/01/22/05/601012205.db2.gz BBYZTILOPKRGGY-UHFFFAOYSA-N -1 0 326.343 3.753 20 0 EHADRM CC[C@@]1(C)CCCN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000829044492 601012516 /nfs/dbraw/zinc/01/25/16/601012516.db2.gz QOMGTRKZPFNEDP-INIZCTEOSA-N -1 0 326.343 3.707 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)N(CC(=O)[O-])c2cccc(C)n2)cc1 ZINC000737256258 601013871 /nfs/dbraw/zinc/01/38/71/601013871.db2.gz FTERCEHCARLXGJ-AWEZNQCLSA-N -1 0 340.423 3.564 20 0 EHADRM Cn1c(C(=O)Oc2ccccc2CC(=O)[O-])ccc1-c1ccccc1 ZINC000739013349 601021163 /nfs/dbraw/zinc/02/11/63/601021163.db2.gz ZTDINWJDCMWTEH-UHFFFAOYSA-N -1 0 335.359 3.538 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N2CCC(C(F)(F)F)CC2)cc1 ZINC000833285855 601021377 /nfs/dbraw/zinc/02/13/77/601021377.db2.gz KLSOHOLKTWIPSK-UHFFFAOYSA-N -1 0 331.294 3.583 20 0 EHADRM Cc1cc(C)cc(C[C@@H](C)NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC000832877830 601026810 /nfs/dbraw/zinc/02/68/10/601026810.db2.gz ZXSWZYLSVKEWAD-CYBMUJFWSA-N -1 0 344.386 3.893 20 0 EHADRM O=C([O-])CCN(C(=O)c1cc(Cl)ccc1F)c1cccc(F)c1 ZINC000739712012 601027862 /nfs/dbraw/zinc/02/78/62/601027862.db2.gz MYLIVULCQNGVBF-UHFFFAOYSA-N -1 0 339.725 3.740 20 0 EHADRM CCc1[nH]c(C(=O)N[C@@H](CC2CC2)c2ccccc2)c(C)c1C(=O)[O-] ZINC000737243450 601031964 /nfs/dbraw/zinc/03/19/64/601031964.db2.gz YWOKTLDRMLIRIA-INIZCTEOSA-N -1 0 340.423 3.855 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccc(F)cc1F ZINC000827486480 601032485 /nfs/dbraw/zinc/03/24/85/601032485.db2.gz NJIIDKJKEQERDK-NSHDSACASA-N -1 0 348.349 3.517 20 0 EHADRM C[C@@H]1C[C@H]1[C@@H](NC(=O)c1cccc(C(=O)[O-])n1)c1ccc(Cl)cc1 ZINC000736763715 601034280 /nfs/dbraw/zinc/03/42/80/601034280.db2.gz DAYWEBRMKNOTOC-ZXIHIIQKSA-N -1 0 344.798 3.560 20 0 EHADRM CC/C(=C\C(=O)N(c1ncc(C(=O)[O-])s1)C1CC1)c1ccccc1 ZINC000736837351 601034950 /nfs/dbraw/zinc/03/49/50/601034950.db2.gz VDNNSRRZAMNQOG-ZRDIBKRKSA-N -1 0 342.420 3.830 20 0 EHADRM CCSCC[C@H](C)NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000830164495 601037446 /nfs/dbraw/zinc/03/74/46/601037446.db2.gz XJZQCCBWQDFFFO-VIFPVBQESA-N -1 0 329.397 3.569 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1F)Sc1ccccc1 ZINC000827487150 601044910 /nfs/dbraw/zinc/04/49/10/601044910.db2.gz VQWNIRKEIMHYBA-NSHDSACASA-N -1 0 348.399 3.826 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc(CCC(=O)[O-])cc1)SC ZINC000323434919 601045634 /nfs/dbraw/zinc/04/56/34/601045634.db2.gz QYSLYXUCWBUEKV-UHFFFAOYSA-N -1 0 338.473 3.747 20 0 EHADRM CC(C)[C@@H](NC(=O)C[C@H](Cc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000346018538 601053350 /nfs/dbraw/zinc/05/33/50/601053350.db2.gz RBQRCRJQJIJRNU-AZUAARDMSA-N -1 0 339.435 3.628 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1ccnc(Oc2ccccc2)c1 ZINC000417760635 601053931 /nfs/dbraw/zinc/05/39/31/601053931.db2.gz XWCATBAPBKNLSZ-UHFFFAOYSA-N -1 0 343.383 3.640 20 0 EHADRM Cc1ccc(SCCC(=O)O[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000832957456 601060047 /nfs/dbraw/zinc/06/00/47/601060047.db2.gz IKFJKUFJYMAOSW-QGZVFWFLSA-N -1 0 348.395 3.985 20 0 EHADRM Cc1ccc([C@H](CNC(=O)[C@@H](C)c2cccc(Cl)c2)C(=O)[O-])cc1 ZINC000537366938 601060726 /nfs/dbraw/zinc/06/07/26/601060726.db2.gz BAPCUTNHANWARQ-GUYCJALGSA-N -1 0 345.826 3.737 20 0 EHADRM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000828148741 601060890 /nfs/dbraw/zinc/06/08/90/601060890.db2.gz DGWWDTFEEOTHQD-WMLDXEAASA-N -1 0 338.407 3.870 20 0 EHADRM O=C([O-])c1ccc(OCCOC(=O)CCc2ccccc2)c(Cl)c1 ZINC000833102853 601061922 /nfs/dbraw/zinc/06/19/22/601061922.db2.gz SMYVUKZMMIKJAC-UHFFFAOYSA-N -1 0 348.782 3.593 20 0 EHADRM Cc1ccc(C)c(SCC(=O)O[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000832925086 601062884 /nfs/dbraw/zinc/06/28/84/601062884.db2.gz FTPXWIONBIKDAK-QGZVFWFLSA-N -1 0 348.395 3.904 20 0 EHADRM Cc1ccc2c(CC(=O)O[C@@H](C(=O)[O-])c3ccccc3F)coc2c1 ZINC000832960468 601065906 /nfs/dbraw/zinc/06/59/06/601065906.db2.gz RJUCNMBJKGQQOU-GOSISDBHSA-N -1 0 342.322 3.792 20 0 EHADRM CCC[C@@H](CC1CCCC1)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000486267999 601068102 /nfs/dbraw/zinc/06/81/02/601068102.db2.gz GZPBJTYRBYYTKJ-ZWKOTPCHSA-N -1 0 331.456 3.968 20 0 EHADRM Cc1cc(C)c(/C=C\C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cc1C ZINC000738355441 601071776 /nfs/dbraw/zinc/07/17/76/601071776.db2.gz ITBHDODIGCXPNE-ZBTAVZRMSA-N -1 0 337.419 3.610 20 0 EHADRM C[C@@H](Oc1ccccc1)C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC000827894867 601076570 /nfs/dbraw/zinc/07/65/70/601076570.db2.gz BCIRVFMATGHYSI-SNVBAGLBSA-N -1 0 348.424 3.545 20 0 EHADRM O=C([O-])[C@@H](OC(=O)Cc1c(F)cccc1Cl)c1ccccc1F ZINC000833116572 601078541 /nfs/dbraw/zinc/07/85/41/601078541.db2.gz GBSLXXSZRLFGNT-HNNXBMFYSA-N -1 0 340.709 3.530 20 0 EHADRM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000439795344 601085579 /nfs/dbraw/zinc/08/55/79/601085579.db2.gz UEAQNUHKMZWKLE-YVEFUNNKSA-N -1 0 327.355 3.747 20 0 EHADRM Cc1cc(C(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])sc1C ZINC000832860857 601087229 /nfs/dbraw/zinc/08/72/29/601087229.db2.gz NVUJVWYZEOVLFE-HUUCEWRRSA-N -1 0 335.469 3.861 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)c1cc2occc2s1 ZINC000833179358 601089619 /nfs/dbraw/zinc/08/96/19/601089619.db2.gz MZIBSCXPUJOSTK-STQMWFEESA-N -1 0 347.436 3.990 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)CCc1ccccc1F ZINC000833176221 601091583 /nfs/dbraw/zinc/09/15/83/601091583.db2.gz CBESCNXXCILMTA-AEFFLSMTSA-N -1 0 347.430 3.640 20 0 EHADRM CCOc1ccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])cc1 ZINC000830059582 601093240 /nfs/dbraw/zinc/09/32/40/601093240.db2.gz GWZHVXGWQMNJJY-WMZOPIPTSA-N -1 0 345.439 3.581 20 0 EHADRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)c1cccc2cc[nH]c21 ZINC000833180030 601095328 /nfs/dbraw/zinc/09/53/28/601095328.db2.gz SIOICJROMSMQNJ-DOTOQJQBSA-N -1 0 340.423 3.664 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NCc2cc(F)ccc2F)cc1 ZINC000327628062 601095494 /nfs/dbraw/zinc/09/54/94/601095494.db2.gz YTKKHMDMVQZKJB-UHFFFAOYSA-N -1 0 348.349 3.649 20 0 EHADRM C/C(=C/CSc1nc2c(n1-c1ccccc1)CCCC2)C(=O)[O-] ZINC000736122526 601098109 /nfs/dbraw/zinc/09/81/09/601098109.db2.gz WIMOTJOEBDDVAT-QBFSEMIESA-N -1 0 328.437 3.874 20 0 EHADRM C[C@@H](OC(=O)c1ccccc1N(C)C(=O)[O-])c1ccc(F)cc1F ZINC000827866371 601116544 /nfs/dbraw/zinc/11/65/44/601116544.db2.gz BZBGLQZZADIMNW-SNVBAGLBSA-N -1 0 335.306 3.997 20 0 EHADRM COc1c(Cl)cc(NC(=O)NC2(CC(=O)[O-])CCC2)cc1Cl ZINC000649539267 601127210 /nfs/dbraw/zinc/12/72/10/601127210.db2.gz PFMRKIJTGQHEKD-UHFFFAOYSA-N -1 0 347.198 3.521 20 0 EHADRM C[C@@H]1c2ccccc2CN1C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000828527840 601133505 /nfs/dbraw/zinc/13/35/05/601133505.db2.gz PPZKBGRFEORQNI-CYBMUJFWSA-N -1 0 339.395 3.905 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc(Oc2ccccc2)o1)c1cccs1 ZINC000833126694 601136553 /nfs/dbraw/zinc/13/65/53/601136553.db2.gz PCNWOXOVXSTQNA-OAHLLOKOSA-N -1 0 343.360 3.689 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc(Oc2ccccc2)o1)c1ccccc1 ZINC000238033377 601137147 /nfs/dbraw/zinc/13/71/47/601137147.db2.gz MYVPOBMOFATORM-QGZVFWFLSA-N -1 0 337.331 3.628 20 0 EHADRM O=C([O-])CN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(F)c1 ZINC000833242592 601141604 /nfs/dbraw/zinc/14/16/04/601141604.db2.gz PRLLWAIGGCHKRJ-MNOVXSKESA-N -1 0 347.308 3.612 20 0 EHADRM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)NCCCCCCC(=O)[O-] ZINC000828151262 601148418 /nfs/dbraw/zinc/14/84/18/601148418.db2.gz TUTMOJPULHEELW-AEFFLSMTSA-N -1 0 346.471 3.684 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000761417614 601148778 /nfs/dbraw/zinc/14/87/78/601148778.db2.gz AYESSFNXAYDKFU-UHFFFAOYSA-N -1 0 348.358 3.551 20 0 EHADRM O=C([O-])c1occc1CN1CC(OCc2cccc3ccccc32)C1 ZINC000833346468 601155760 /nfs/dbraw/zinc/15/57/60/601155760.db2.gz PREXKYGTAQQUDY-UHFFFAOYSA-N -1 0 337.375 3.532 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)ccc1C(F)(F)F ZINC000832893533 601160097 /nfs/dbraw/zinc/16/00/97/601160097.db2.gz OULQVIPPOMPLQQ-MNOVXSKESA-N -1 0 329.318 3.843 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cccc(C(F)(F)F)c1F ZINC000828794057 601161020 /nfs/dbraw/zinc/16/10/20/601161020.db2.gz PCZQIBYELGKVOM-UHFFFAOYSA-N -1 0 335.297 3.608 20 0 EHADRM Cc1c(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cnc2ccccc12 ZINC000431667393 601165847 /nfs/dbraw/zinc/16/58/47/601165847.db2.gz YQMMCDRRHHDFJY-KUHUBIRLSA-N -1 0 348.402 3.735 20 0 EHADRM CCc1[nH]c(C(=O)N[C@@H](C)[C@@H](C)c2ccccc2)c(C)c1C(=O)[O-] ZINC000830190503 601184656 /nfs/dbraw/zinc/18/46/56/601184656.db2.gz BAQSOUVFCQUZDR-YPMHNXCESA-N -1 0 328.412 3.506 20 0 EHADRM Cc1oc(-c2ccccc2)nc1COC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833023763 601185054 /nfs/dbraw/zinc/18/50/54/601185054.db2.gz GVQLIPVRNMDGGM-CABCVRRESA-N -1 0 343.379 3.584 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)OCc2cc3ccccc3nc2Cl)C1 ZINC000833190757 601185492 /nfs/dbraw/zinc/18/54/92/601185492.db2.gz YTACPKGDDXLHAF-CHWSQXEVSA-N -1 0 347.798 3.822 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)CCCCC1 ZINC000322092167 601186080 /nfs/dbraw/zinc/18/60/80/601186080.db2.gz HPIMQYAKWPLHDD-NWDGAFQWSA-N -1 0 335.366 3.649 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cnc(-c3ccccc3)s2)CCCCC1 ZINC000532593364 601186516 /nfs/dbraw/zinc/18/65/16/601186516.db2.gz IKFGVJJJCBPPCP-UHFFFAOYSA-N -1 0 344.436 3.718 20 0 EHADRM O=C([O-])CC1(NC(=O)/C=C/c2ccnc3ccccc23)CCCCC1 ZINC000761649620 601186815 /nfs/dbraw/zinc/18/68/15/601186815.db2.gz YVBHAJWTMRHIRQ-CMDGGOBGSA-N -1 0 338.407 3.542 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000531743879 601186854 /nfs/dbraw/zinc/18/68/54/601186854.db2.gz FRVLCNFFJPPJAI-AWEZNQCLSA-N -1 0 335.419 3.688 20 0 EHADRM O=C([O-])c1ccc(C(=O)OCc2ncc(-c3cccc(F)c3)o2)s1 ZINC000833311691 601188398 /nfs/dbraw/zinc/18/83/98/601188398.db2.gz AGFFMVIHEGTZPV-UHFFFAOYSA-N -1 0 347.323 3.597 20 0 EHADRM CCS[C@H]1CCC[C@@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000830158165 601191816 /nfs/dbraw/zinc/19/18/16/601191816.db2.gz RUPBOXRXETUULL-PWSUYJOCSA-N -1 0 340.420 3.710 20 0 EHADRM C[C@@H]1[C@@H](Cc2ccccc2)CCN1c1nc(Cl)c(C(=O)[O-])s1 ZINC000828151627 601200504 /nfs/dbraw/zinc/20/05/04/601200504.db2.gz XFHZMIGNERNKRK-ZYHUDNBSSA-N -1 0 336.844 3.952 20 0 EHADRM CC(C)c1ccccc1OS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000013088115 601205154 /nfs/dbraw/zinc/20/51/54/601205154.db2.gz XRUPZJGQZIWMDO-FMIVXFBMSA-N -1 0 346.404 3.676 20 0 EHADRM Cc1ccccc1Cc1noc(CNc2cccc(NC(=O)[O-])c2)n1 ZINC000832978864 601208289 /nfs/dbraw/zinc/20/82/89/601208289.db2.gz QMRQFSBRLWMXOC-UHFFFAOYSA-N -1 0 338.367 3.671 20 0 EHADRM CO[C@@H](C)c1nc(CNc2ccc(F)c(NC(=O)[O-])c2)cs1 ZINC000831501866 601223253 /nfs/dbraw/zinc/22/32/53/601223253.db2.gz YKMKRPDMENBPOP-QMMMGPOBSA-N -1 0 325.365 3.692 20 0 EHADRM Cc1cc(NCc2ccc(C(=O)N3CCCC3)cc2)ccc1C(=O)[O-] ZINC000821041718 601248952 /nfs/dbraw/zinc/24/89/52/601248952.db2.gz IAJRQVKHUDWLTC-UHFFFAOYSA-N -1 0 338.407 3.541 20 0 EHADRM Cc1nc(-c2cccnc2)nc(Oc2cccc(CC(=O)[O-])c2)c1C ZINC000832992911 601252124 /nfs/dbraw/zinc/25/21/24/601252124.db2.gz BWPRZWJXQHPGLP-UHFFFAOYSA-N -1 0 335.363 3.575 20 0 EHADRM COc1cccc(/C(C)=C/C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)c1 ZINC000832528471 601256661 /nfs/dbraw/zinc/25/66/61/601256661.db2.gz NSJQTBWJXUSXSS-ACCUITESSA-N -1 0 340.379 3.851 20 0 EHADRM Cc1ccccc1Cc1noc(COc2cccc(NC(=O)[O-])c2)n1 ZINC000832978488 601262145 /nfs/dbraw/zinc/26/21/45/601262145.db2.gz HNDBPHSRAWAUQG-UHFFFAOYSA-N -1 0 339.351 3.638 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)NC2(CC(=O)[O-])CCCCC2)s1 ZINC000832899212 601271457 /nfs/dbraw/zinc/27/14/57/601271457.db2.gz JSTXICBFWOUNSS-UHFFFAOYSA-N -1 0 347.383 3.565 20 0 EHADRM O=C([O-])c1cc(C(=O)Nc2ccc3c(c2)oc2ccccc23)ccn1 ZINC000362490545 601278277 /nfs/dbraw/zinc/27/82/77/601278277.db2.gz SZJCVKPKCQFZRG-UHFFFAOYSA-N -1 0 332.315 3.932 20 0 EHADRM Cc1c2ccccc2[nH]c(=O)c1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000832851755 601280172 /nfs/dbraw/zinc/28/01/72/601280172.db2.gz YCSCOWKCRIYFJA-UHFFFAOYSA-N -1 0 337.335 3.591 20 0 EHADRM CC(C)[C@@H](C(=O)NC1CCC(C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000262668922 601283602 /nfs/dbraw/zinc/28/36/02/601283602.db2.gz QCTIMXABXGTXCX-VDSRIPIWSA-N -1 0 337.847 3.839 20 0 EHADRM CC(C)[C@@H](C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000262063294 601284887 /nfs/dbraw/zinc/28/48/87/601284887.db2.gz DIYXYKWLFXRMDE-JKSUJKDBSA-N -1 0 349.858 3.793 20 0 EHADRM CN(C(=O)C/C=C\c1cccc(F)c1)[C@H](C(=O)[O-])c1ccccc1 ZINC000830471327 601286426 /nfs/dbraw/zinc/28/64/26/601286426.db2.gz BMOMYDMLTPVTDX-POZKEBTKSA-N -1 0 327.355 3.513 20 0 EHADRM CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)c1ccnc(C(=O)[O-])c1 ZINC000236710225 601287087 /nfs/dbraw/zinc/28/70/87/601287087.db2.gz JCKLXLMXRIBJJJ-INIZCTEOSA-N -1 0 346.814 3.903 20 0 EHADRM CN(Cc1ccc(NC(=O)C/C=C\c2ccc(F)cc2)cc1)C(=O)[O-] ZINC000830831019 601287194 /nfs/dbraw/zinc/28/71/94/601287194.db2.gz QZBADJULSVZMOZ-IHWYPQMZSA-N -1 0 342.370 3.978 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000262087390 601306613 /nfs/dbraw/zinc/30/66/13/601306613.db2.gz LABUDHLKXRZDNZ-UHFFFAOYSA-N -1 0 333.359 3.849 20 0 EHADRM O=C([O-])c1ccc(OCc2ccc([N+](=O)[O-])cc2F)c(Cl)c1 ZINC000390002331 601343587 /nfs/dbraw/zinc/34/35/87/601343587.db2.gz QENXGXYHYMDDQA-UHFFFAOYSA-N -1 0 325.679 3.665 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)C/C=C\c1ccc(F)cc1 ZINC000766841129 601350212 /nfs/dbraw/zinc/35/02/12/601350212.db2.gz PRKYSHRLDRLTCP-UPHRSURJSA-N -1 0 325.339 3.517 20 0 EHADRM C[C@H](C(=O)N(C)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000825972351 601370794 /nfs/dbraw/zinc/37/07/94/601370794.db2.gz OEDPEJXVUNMXIL-ISVAXAHUSA-N -1 0 330.211 3.624 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)Nc2cccc(OCC(=O)[O-])c2)cc1 ZINC000828764984 601394615 /nfs/dbraw/zinc/39/46/15/601394615.db2.gz RWCQKYCJJJXFDH-ZDUSSCGKSA-N -1 0 343.379 3.580 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000479576943 601400746 /nfs/dbraw/zinc/40/07/46/601400746.db2.gz HSWHKNCYFIAFAL-NSHDSACASA-N -1 0 331.343 3.665 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)N(CC(=O)[O-])c2ccccc2)cc1 ZINC000156290037 601407323 /nfs/dbraw/zinc/40/73/23/601407323.db2.gz MAKYJPHFATZDGS-CQSZACIVSA-N -1 0 327.380 3.595 20 0 EHADRM COc1cccc(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000832563228 601408534 /nfs/dbraw/zinc/40/85/34/601408534.db2.gz WFWARKMHADVKFQ-HNNXBMFYSA-N -1 0 348.786 3.686 20 0 EHADRM Cc1cnc([C@@H](C)Nc2nc(C)nc3sc(C(=O)[O-])c(C)c32)s1 ZINC000577282219 601410271 /nfs/dbraw/zinc/41/02/71/601410271.db2.gz AKUWECWZIZWUNS-MRVPVSSYSA-N -1 0 348.453 3.944 20 0 EHADRM C/C(=C\COC(=O)c1occc1CSc1ccccc1)C(=O)[O-] ZINC000825785794 601413751 /nfs/dbraw/zinc/41/37/51/601413751.db2.gz CCHNDRPBSFAKIL-KPKJPENVSA-N -1 0 332.377 3.760 20 0 EHADRM Cc1nc(C)c(C(=O)OCc2c3ccccc3sc2C(=O)[O-])o1 ZINC000832995108 601430159 /nfs/dbraw/zinc/43/01/59/601430159.db2.gz ZIRMIALLBGZPHJ-UHFFFAOYSA-N -1 0 331.349 3.561 20 0 EHADRM O=C([O-])[C@@H](OC(=O)Cc1coc2cc(F)ccc12)c1ccc(F)cc1 ZINC000833120192 601431173 /nfs/dbraw/zinc/43/11/73/601431173.db2.gz QNISGUNVRVWHTB-KRWDZBQOSA-N -1 0 346.285 3.623 20 0 EHADRM CCn1c(C)cc(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)c1C ZINC000830412721 601443603 /nfs/dbraw/zinc/44/36/03/601443603.db2.gz ZTYJQOJUZJIKNU-UHFFFAOYSA-N -1 0 349.456 3.829 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)[C@H](C)c3ccsc3)ccc2n1C ZINC000832851584 601450788 /nfs/dbraw/zinc/45/07/88/601450788.db2.gz UVEBMNGJDCSLKL-SNVBAGLBSA-N -1 0 343.404 3.956 20 0 EHADRM Cc1csc([C@@H](OC(=O)c2cccc(C(=O)[O-])c2)C(F)(F)F)n1 ZINC000821147190 601451360 /nfs/dbraw/zinc/45/13/60/601451360.db2.gz ZPVJCUZMPUCMID-SNVBAGLBSA-N -1 0 345.298 3.610 20 0 EHADRM COc1ccc(NC(=O)[C@@H](C)SCc2ccc(C(=O)[O-])cc2)cc1 ZINC000013020187 601453138 /nfs/dbraw/zinc/45/31/38/601453138.db2.gz HUDCPUIAERZDDB-GFCCVEGCSA-N -1 0 345.420 3.654 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)c1ccc(F)cc1Cl ZINC000830390685 601458604 /nfs/dbraw/zinc/45/86/04/601458604.db2.gz NGPJBSVPKXTFMN-UHFFFAOYSA-N -1 0 326.707 3.690 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)c1ccc(-c2cnco2)cc1 ZINC000830390661 601463244 /nfs/dbraw/zinc/46/32/44/601463244.db2.gz MJSOZWJICFPBGU-UHFFFAOYSA-N -1 0 341.319 3.552 20 0 EHADRM CCN(CC)[C@H](C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000829666459 601465698 /nfs/dbraw/zinc/46/56/98/601465698.db2.gz IISDFRFBWGQTFQ-DYVFJYSZSA-N -1 0 345.395 3.665 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)c1csc(-c2ccoc2)n1 ZINC000830394580 601466270 /nfs/dbraw/zinc/46/62/70/601466270.db2.gz ICKVYOXLJRJFEY-UHFFFAOYSA-N -1 0 347.348 3.614 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)c1coc(-c2ccccc2)n1 ZINC000830395255 601467333 /nfs/dbraw/zinc/46/73/33/601467333.db2.gz WSCGZMZHJZWCGH-UHFFFAOYSA-N -1 0 341.319 3.552 20 0 EHADRM C[C@@H](OC(=O)[C@@]1(C)CCc2ccccc2C1)c1ccc(C(=O)[O-])o1 ZINC000827816989 601467581 /nfs/dbraw/zinc/46/75/81/601467581.db2.gz FUTASSJMJKYGMS-BLVKFPJESA-N -1 0 328.364 3.777 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)CCOc1ccc(Cl)c(Cl)c1 ZINC000828623070 601468422 /nfs/dbraw/zinc/46/84/22/601468422.db2.gz DKTAVXRKGMIVAM-OAHLLOKOSA-N -1 0 348.226 3.522 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000326794678 601469697 /nfs/dbraw/zinc/46/96/97/601469697.db2.gz QXGFIRZRVFLGCF-HNNXBMFYSA-N -1 0 349.308 3.530 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000767051896 601470241 /nfs/dbraw/zinc/47/02/41/601470241.db2.gz SHHLEHHPJLRGAT-MQIPJXDCSA-N -1 0 344.238 3.857 20 0 EHADRM O=C([O-])[C@H](OC(=O)C/C=C\c1ccc(F)cc1)c1ccc(F)cc1 ZINC000833097060 601470816 /nfs/dbraw/zinc/47/08/16/601470816.db2.gz ZMXXLYBWRQQIHR-NLVOMGJBSA-N -1 0 332.302 3.737 20 0 EHADRM COc1cc(Cl)c(Cl)cc1C(=O)OCc1occc1C(=O)[O-] ZINC000832003885 601470829 /nfs/dbraw/zinc/47/08/29/601470829.db2.gz BTBHJTAVZRPBKC-UHFFFAOYSA-N -1 0 345.134 3.650 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC000829014101 601471502 /nfs/dbraw/zinc/47/15/02/601471502.db2.gz BVOHIKWXSPQBAK-WBVHZDCISA-N -1 0 328.364 3.522 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC000829014100 601471554 /nfs/dbraw/zinc/47/15/54/601471554.db2.gz BVOHIKWXSPQBAK-RDJZCZTQSA-N -1 0 328.364 3.522 20 0 EHADRM Cc1cc(C)c(NC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)c(C)c1 ZINC000237824622 601525250 /nfs/dbraw/zinc/52/52/50/601525250.db2.gz JDJKQIVFWBSRPW-UHFFFAOYSA-N -1 0 341.407 3.944 20 0 EHADRM C[C@H](CC(=O)N[C@H](CC(=O)[O-])C1CC1)c1cccc(C(F)(F)F)c1 ZINC000767076031 601527996 /nfs/dbraw/zinc/52/79/96/601527996.db2.gz KVPFPQZYCPESJP-QMTHXVAHSA-N -1 0 343.345 3.569 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1Cc1cc(-c2ccccc2)no1 ZINC000326684799 601542907 /nfs/dbraw/zinc/54/29/07/601542907.db2.gz PERYSEGRPXNDCL-LJQANCHMSA-N -1 0 334.375 3.526 20 0 EHADRM CCn1c2ccccc2nc1[C@H]1CCCN1Cc1ccoc1C(=O)[O-] ZINC000518990440 601568157 /nfs/dbraw/zinc/56/81/57/601568157.db2.gz GUUCKZSENZIAQE-MRXNPFEDSA-N -1 0 339.395 3.685 20 0 EHADRM O=C([O-])[C@@H](NC(=O)/C=C\Sc1ccccc1)c1ccc(Cl)cc1 ZINC000833092269 601584948 /nfs/dbraw/zinc/58/49/48/601584948.db2.gz ACBXEZRXNZXHGG-SNGWPZLWSA-N -1 0 347.823 3.888 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(CSc2ccccc2)cc1)C1CC1 ZINC000262142070 601590660 /nfs/dbraw/zinc/59/06/60/601590660.db2.gz MCGSZFUHFVLSDN-KRWDZBQOSA-N -1 0 341.432 3.572 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000676023360 601600020 /nfs/dbraw/zinc/60/00/20/601600020.db2.gz GWBBSFLQAIGKNJ-LLVKDONJSA-N -1 0 341.860 3.582 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Nc1nc(C2CC2)cs1)c1ccccc1 ZINC000826038307 601603317 /nfs/dbraw/zinc/60/33/17/601603317.db2.gz FSJGENGJRVUBLO-QMTHXVAHSA-N -1 0 345.424 3.604 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)/C=C/SCc1ccco1)c1ccccc1 ZINC000237520744 601611431 /nfs/dbraw/zinc/61/14/31/601611431.db2.gz CFVYDBQXBCMZCM-ACCNSPFPSA-N -1 0 345.420 3.605 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)[C@@H]1CCSc2ccccc21 ZINC000428099686 601613597 /nfs/dbraw/zinc/61/35/97/601613597.db2.gz COWSTCLXYBVTBL-CQSZACIVSA-N -1 0 327.405 3.532 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000738630742 601613647 /nfs/dbraw/zinc/61/36/47/601613647.db2.gz SPWLNSIHCNGAGM-UHFFFAOYSA-N -1 0 342.782 3.630 20 0 EHADRM Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccccc1CC(=O)[O-] ZINC000237757611 601614231 /nfs/dbraw/zinc/61/42/31/601614231.db2.gz UQMDAXSTMDWDOG-UHFFFAOYSA-N -1 0 348.402 3.660 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000261856261 601614335 /nfs/dbraw/zinc/61/43/35/601614335.db2.gz KAYULZSNGKKOSP-VXGBXAGGSA-N -1 0 329.318 3.621 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)CSc1ccc2c(c1)CCC2 ZINC000238077214 601614585 /nfs/dbraw/zinc/61/45/85/601614585.db2.gz ODQJGEAOKAUGPC-UHFFFAOYSA-N -1 0 341.432 3.533 20 0 EHADRM Cc1cccc(NC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1C ZINC000832971428 601614761 /nfs/dbraw/zinc/61/47/61/601614761.db2.gz ZCTHWOWIYUYEBN-PBHICJAKSA-N -1 0 326.396 3.887 20 0 EHADRM Cc1cccc(NC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c1C ZINC000832971432 601614764 /nfs/dbraw/zinc/61/47/64/601614764.db2.gz ZCTHWOWIYUYEBN-WMLDXEAASA-N -1 0 326.396 3.887 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)CSCc1cccc(Cl)c1 ZINC000238076503 601615014 /nfs/dbraw/zinc/61/50/14/601615014.db2.gz HDPSIEHVFYMOIY-UHFFFAOYSA-N -1 0 349.839 3.839 20 0 EHADRM CCc1cccc(NC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000830265915 601615012 /nfs/dbraw/zinc/61/50/12/601615012.db2.gz VRKBCAOQSBXHAU-CXAGYDPISA-N -1 0 326.396 3.833 20 0 EHADRM CCc1ccccc1NC(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000830282417 601615310 /nfs/dbraw/zinc/61/53/10/601615310.db2.gz UVUVNLZLHWNWNF-SUMWQHHRSA-N -1 0 326.396 3.833 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818143728 601615425 /nfs/dbraw/zinc/61/54/25/601615425.db2.gz OMOINTZVLNRCHK-UNEWFSDZSA-N -1 0 333.428 3.626 20 0 EHADRM Cc1ccc(SCC(=O)Nc2ccccc2CC(=O)[O-])c(C)c1 ZINC000346027450 601615564 /nfs/dbraw/zinc/61/55/64/601615564.db2.gz OANDIZCGWUJPEX-UHFFFAOYSA-N -1 0 329.421 3.661 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccccc1SCc1ccccc1)C(=O)[O-] ZINC000827492570 601616195 /nfs/dbraw/zinc/61/61/95/601616195.db2.gz FTDAZDWHOXKYQY-ZDUSSCGKSA-N -1 0 344.436 3.821 20 0 EHADRM CSc1ccc(NC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000832780885 601616529 /nfs/dbraw/zinc/61/65/29/601616529.db2.gz KNCXQESHVHYVKO-WBMJQRKESA-N -1 0 344.436 3.992 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000237622206 601616783 /nfs/dbraw/zinc/61/67/83/601616783.db2.gz UYMAWMJZGKRKMK-CYBMUJFWSA-N -1 0 329.421 3.574 20 0 EHADRM CCCCO[C@H]1C[C@H](N(C)C(=O)c2ccc(NC(=O)[O-])cc2)C1(C)C ZINC000829412699 601618425 /nfs/dbraw/zinc/61/84/25/601618425.db2.gz CZLWODKCONWUPQ-HOTGVXAUSA-N -1 0 348.443 3.832 20 0 EHADRM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)c1ccccc1F ZINC000345917523 601619996 /nfs/dbraw/zinc/61/99/96/601619996.db2.gz YEJZSNQNSPGWQL-BZNIZROVSA-N -1 0 349.789 3.915 20 0 EHADRM Cc1ccc(F)c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000345883109 601620574 /nfs/dbraw/zinc/62/05/74/601620574.db2.gz JSUQWPVQYUPLSD-HNNXBMFYSA-N -1 0 335.762 3.733 20 0 EHADRM O=C([O-])CN(C(=O)c1cc2sc3ccccc3c2s1)C1CC1 ZINC000178048839 601632560 /nfs/dbraw/zinc/63/25/60/601632560.db2.gz OSHOJRWUXCEQOY-UHFFFAOYSA-N -1 0 331.418 3.805 20 0 EHADRM CCCCC[C@@H](NC(=O)c1cccc(-c2csc(C)n2)c1)C(=O)[O-] ZINC000236846405 601641870 /nfs/dbraw/zinc/64/18/70/601641870.db2.gz DTURKXLBEWNXSY-OAHLLOKOSA-N -1 0 346.452 3.882 20 0 EHADRM CCCCC[C@H](NC(=O)c1cccc(Oc2nccs2)c1)C(=O)[O-] ZINC000776665002 601645833 /nfs/dbraw/zinc/64/58/33/601645833.db2.gz XFOPODDQNNWEGE-AWEZNQCLSA-N -1 0 348.424 3.699 20 0 EHADRM CCCCC[C@@H](NC(=O)c1c(C)oc2ccc(OC)cc21)C(=O)[O-] ZINC000236834772 601648083 /nfs/dbraw/zinc/64/80/83/601648083.db2.gz JYWDHLNKRKLIHR-CQSZACIVSA-N -1 0 333.384 3.513 20 0 EHADRM CC(C)C[C@H](C)OCCC(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000826763927 601650275 /nfs/dbraw/zinc/65/02/75/601650275.db2.gz LNOXXVYCLROZDS-NSHDSACASA-N -1 0 327.808 3.818 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NCc1nc2cc(F)ccc2o1)c1ccccc1 ZINC000826051606 601650894 /nfs/dbraw/zinc/65/08/94/601650894.db2.gz CUQGXQYFFNYTNV-GTNSWQLSSA-N -1 0 328.343 3.519 20 0 EHADRM CC(C)C[C@@H](C)OCCC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000676001193 601652043 /nfs/dbraw/zinc/65/20/43/601652043.db2.gz HZUSCHCZVPCNFJ-LLVKDONJSA-N -1 0 327.808 3.818 20 0 EHADRM O=C([O-])c1sccc1NC(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000833161719 601653572 /nfs/dbraw/zinc/65/35/72/601653572.db2.gz NFWIJFWPSAQCCA-UHFFFAOYSA-N -1 0 333.262 3.857 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)s1 ZINC000833156646 601655042 /nfs/dbraw/zinc/65/50/42/601655042.db2.gz CCGGKLZVLUTHNK-UHFFFAOYSA-N -1 0 333.262 3.857 20 0 EHADRM Cc1cccc2sc(C(=O)N3CC[C@](F)(C(=O)[O-])C3)c(Cl)c21 ZINC000776646513 601662618 /nfs/dbraw/zinc/66/26/18/601662618.db2.gz ZTZVBRORRVRZRL-OAHLLOKOSA-N -1 0 341.791 3.502 20 0 EHADRM COc1ccc2[nH]c(SCc3ccc(C(=O)[O-])c(F)c3)nc2c1 ZINC000322936329 601669365 /nfs/dbraw/zinc/66/93/65/601669365.db2.gz OPGZCQPTJNRXLY-UHFFFAOYSA-N -1 0 332.356 3.701 20 0 EHADRM C[C@]1(C(=O)Nc2ccc(Oc3ccccc3)cc2C(=O)[O-])CCCO1 ZINC000827976205 601671903 /nfs/dbraw/zinc/67/19/03/601671903.db2.gz OVWZHGHYWPEWLF-LJQANCHMSA-N -1 0 341.363 3.685 20 0 EHADRM CCc1noc(CC)c1CC(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC000830347464 601672576 /nfs/dbraw/zinc/67/25/76/601672576.db2.gz CBOVDMZAZUBFBP-UHFFFAOYSA-N -1 0 344.411 3.802 20 0 EHADRM CC(C)C[C@@H](C)OCCC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000826764180 601673975 /nfs/dbraw/zinc/67/39/75/601673975.db2.gz QSZZCVIAHUYDDQ-LLVKDONJSA-N -1 0 326.368 3.695 20 0 EHADRM CC(C)C[C@H](C)OCCC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000826763765 601678209 /nfs/dbraw/zinc/67/82/09/601678209.db2.gz HYKRMQAFRGAOGV-AWEZNQCLSA-N -1 0 336.432 3.576 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cc(F)cc(Cl)c1)c1ccccc1 ZINC000826039635 601678770 /nfs/dbraw/zinc/67/87/70/601678770.db2.gz WVFDIVUENBFZJU-MEBBXXQBSA-N -1 0 335.762 3.671 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)CCCc2ccc(F)c(F)c2)cc1 ZINC000833281798 601678978 /nfs/dbraw/zinc/67/89/78/601678978.db2.gz MVIHYQBFYDCCBN-UHFFFAOYSA-N -1 0 348.349 3.694 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2ccc(SC(F)F)cc2)CCCC1 ZINC000833135756 601684826 /nfs/dbraw/zinc/68/48/26/601684826.db2.gz HVDATBQHXHDLOG-UHFFFAOYSA-N -1 0 344.383 3.768 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N(CCC(F)(F)F)CC2CC2)cc1 ZINC000833318520 601693057 /nfs/dbraw/zinc/69/30/57/601693057.db2.gz ILFTWTRNBKTGLY-UHFFFAOYSA-N -1 0 330.306 3.581 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2)C[C@H]1C(=O)[O-] ZINC000262828058 601693676 /nfs/dbraw/zinc/69/36/76/601693676.db2.gz FPHGOHKKLVBUQZ-CZUORRHYSA-N -1 0 341.432 3.631 20 0 EHADRM CC(C)(CNC(=O)c1ccccc1SCc1cccs1)C(=O)[O-] ZINC000236711925 601706678 /nfs/dbraw/zinc/70/66/78/601706678.db2.gz WVAJBWBQOOEYHY-UHFFFAOYSA-N -1 0 349.477 3.881 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1F ZINC000833313845 601714197 /nfs/dbraw/zinc/71/41/97/601714197.db2.gz DHNFUZAFAKFFHE-CABCVRRESA-N -1 0 332.302 3.510 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccc(F)cc1F ZINC000736649150 601719174 /nfs/dbraw/zinc/71/91/74/601719174.db2.gz PSQURUKVRQXYGU-LLVKDONJSA-N -1 0 348.349 3.865 20 0 EHADRM CC[C@H](C(=O)OCc1cc(C(=O)[O-])sc1C)c1c(C)noc1C ZINC000828604129 601726616 /nfs/dbraw/zinc/72/66/16/601726616.db2.gz VWXDNJPBCZZNLR-LBPRGKRZSA-N -1 0 337.397 3.597 20 0 EHADRM COc1cccc([C@H]2C[C@H]2C(=O)OCc2cc(C(=O)[O-])sc2C)c1 ZINC000832539320 601727570 /nfs/dbraw/zinc/72/75/70/601727570.db2.gz AKKIMKXGMZQXCA-HUUCEWRRSA-N -1 0 346.404 3.610 20 0 EHADRM CCCc1ccc(C(=O)Nc2nc(CCCC(=O)[O-])cs2)cc1 ZINC000829566120 601743299 /nfs/dbraw/zinc/74/32/99/601743299.db2.gz FKSXQJFZJGYLLR-UHFFFAOYSA-N -1 0 332.425 3.755 20 0 EHADRM O=C([O-])CCCc1csc(NC(=O)c2ccc(C(F)F)cc2)n1 ZINC000833229652 601743585 /nfs/dbraw/zinc/74/35/85/601743585.db2.gz RJICDDRISABVDA-UHFFFAOYSA-N -1 0 340.351 3.740 20 0 EHADRM CC[C@H](C(=O)Nc1nc(CCCC(=O)[O-])cs1)c1ccccc1 ZINC000321775042 601744347 /nfs/dbraw/zinc/74/43/47/601744347.db2.gz QEWKQXFVPACJHO-AWEZNQCLSA-N -1 0 332.425 3.683 20 0 EHADRM CC[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000678989411 601746528 /nfs/dbraw/zinc/74/65/28/601746528.db2.gz PTFIWWSTCZSMOW-SCLBCKFNSA-N -1 0 329.371 3.652 20 0 EHADRM CCOc1cc(C)ccc1CNC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000830045253 601755902 /nfs/dbraw/zinc/75/59/02/601755902.db2.gz YIEBPECMBLKKMM-UHFFFAOYSA-N -1 0 346.358 3.553 20 0 EHADRM O=C([O-])c1cc(C(=O)N[C@@H](c2ccccc2F)C2CCCC2)ccn1 ZINC000238178381 601774623 /nfs/dbraw/zinc/77/46/23/601774623.db2.gz CXJJVKBJHGZSIJ-QGZVFWFLSA-N -1 0 342.370 3.580 20 0 EHADRM CN(C)C(=O)Sc1cccc(COc2ccc(C(=O)[O-])cc2)c1 ZINC000830569270 601782498 /nfs/dbraw/zinc/78/24/98/601782498.db2.gz KZCJPQCDIHWXGU-UHFFFAOYSA-N -1 0 331.393 3.738 20 0 EHADRM Cc1ccc2cc(C(=O)Nc3nc(CCCC(=O)[O-])cs3)[nH]c2c1 ZINC000832961805 601784288 /nfs/dbraw/zinc/78/42/88/601784288.db2.gz GQNNJGALXCAUMG-UHFFFAOYSA-N -1 0 343.408 3.592 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(OC3CCCCC3)cc2)C[C@@H]1C(=O)[O-] ZINC000828378588 601793316 /nfs/dbraw/zinc/79/33/16/601793316.db2.gz RZIASILQCVPBOQ-DYVFJYSZSA-N -1 0 346.427 3.583 20 0 EHADRM Cc1c(Cl)cccc1NC(=S)N1CCC(CCC(=O)[O-])CC1 ZINC000832854687 601794170 /nfs/dbraw/zinc/79/41/70/601794170.db2.gz OYKLNEWGDQZZNU-UHFFFAOYSA-N -1 0 340.876 3.922 20 0 EHADRM O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)CCc1ccoc1 ZINC000833103238 601801962 /nfs/dbraw/zinc/80/19/62/601801962.db2.gz GGNPKISHKVWEDS-UHFFFAOYSA-N -1 0 327.258 3.568 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)C1(CC(C)C)CCC1 ZINC000831977911 601802717 /nfs/dbraw/zinc/80/27/17/601802717.db2.gz VKIASGLISOCKDO-SOFGYWHQSA-N -1 0 332.396 3.915 20 0 EHADRM O=C([O-])CN(C(=O)c1cc2cccc(Cl)c2o1)c1ccccc1 ZINC000156267589 601803784 /nfs/dbraw/zinc/80/37/84/601803784.db2.gz PCRKGIAQDYARHN-UHFFFAOYSA-N -1 0 329.739 3.818 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@@H](C2CCCCC2)C(F)(F)F)C1 ZINC000649465936 601805888 /nfs/dbraw/zinc/80/58/88/601805888.db2.gz XKKCUJRRIMIJRE-XQQFMLRXSA-N -1 0 335.366 3.505 20 0 EHADRM O=C([O-])c1c(C2CC2)csc1NC(=O)CCOCc1ccccc1 ZINC000833103093 601809480 /nfs/dbraw/zinc/80/94/80/601809480.db2.gz OAJJBFIRNGXCLL-UHFFFAOYSA-N -1 0 345.420 3.869 20 0 EHADRM O=C([O-])c1ccc(CSCc2cn(-c3ccccc3)nn2)cc1F ZINC000833316358 601813363 /nfs/dbraw/zinc/81/33/63/601813363.db2.gz BOGMAKJXYHAMJM-UHFFFAOYSA-N -1 0 343.383 3.538 20 0 EHADRM Cc1ccc(SCCC(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000320656495 601813398 /nfs/dbraw/zinc/81/33/98/601813398.db2.gz PXIMQVDIUPODIN-UHFFFAOYSA-N -1 0 335.469 3.581 20 0 EHADRM COc1cc2ccccc2cc1C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000679098021 601815453 /nfs/dbraw/zinc/81/54/53/601815453.db2.gz OZUPICFQCLKSOK-UHFFFAOYSA-N -1 0 341.407 3.565 20 0 EHADRM O=C([O-])c1ccc(CSCC(=O)Nc2cccc(F)c2)cc1F ZINC000833115384 601815615 /nfs/dbraw/zinc/81/56/15/601815615.db2.gz AFOIPXJADWWTAF-UHFFFAOYSA-N -1 0 337.347 3.535 20 0 EHADRM Cc1cccc2c(CCC(=O)N3CCC(CCC(=O)[O-])CC3)c[nH]c21 ZINC000539683075 601817773 /nfs/dbraw/zinc/81/77/73/601817773.db2.gz IJDLKRWTYZDQQR-UHFFFAOYSA-N -1 0 342.439 3.512 20 0 EHADRM CCC(CC)[C@H](NC(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1)c1cccs1 ZINC000828854567 601821772 /nfs/dbraw/zinc/82/17/72/601821772.db2.gz LFXZLDVYMBWKDF-WHOFXGATSA-N -1 0 338.473 3.588 20 0 EHADRM CCCC(O)(CCC)CC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000829230227 601822714 /nfs/dbraw/zinc/82/27/14/601822714.db2.gz IFAOJTKFYUHZFB-UHFFFAOYSA-N -1 0 326.368 3.576 20 0 EHADRM C[C@H](c1ccccc1)n1cnnc1SCc1ccc(C(=O)[O-])s1 ZINC000827948317 601846008 /nfs/dbraw/zinc/84/60/08/601846008.db2.gz COROAZCSBIOSFR-LLVKDONJSA-N -1 0 345.449 3.939 20 0 EHADRM CC(C)Oc1ccc(NC(=S)NCc2cccc(C(=O)[O-])c2)cc1 ZINC000827058661 601846028 /nfs/dbraw/zinc/84/60/28/601846028.db2.gz QHMVUJLQSGKCLI-UHFFFAOYSA-N -1 0 344.436 3.659 20 0 EHADRM C[C@@H](c1ccccc1)n1ccc(N[C@H](C(=O)[O-])c2ccc(F)cc2)n1 ZINC000827951164 601854449 /nfs/dbraw/zinc/85/44/49/601854449.db2.gz VUUKNDSXDKWLMH-UGSOOPFHSA-N -1 0 339.370 3.869 20 0 EHADRM Cc1cc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)c(Cl)cc1F ZINC000237770242 601856038 /nfs/dbraw/zinc/85/60/38/601856038.db2.gz LRYIGAMCJOCHIS-GFCCVEGCSA-N -1 0 341.791 3.795 20 0 EHADRM Cc1cc(F)c(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)cc1F ZINC000181656129 601857315 /nfs/dbraw/zinc/85/73/15/601857315.db2.gz UWPDQXLUIVUJIY-INIZCTEOSA-N -1 0 333.334 3.609 20 0 EHADRM CN(C(=O)c1cncc(-c2ccccc2)c1)[C@H](C(=O)[O-])c1ccccc1 ZINC000830537165 601865987 /nfs/dbraw/zinc/86/59/87/601865987.db2.gz BYAWLNYDVGGMMQ-IBGZPJMESA-N -1 0 346.386 3.647 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1 ZINC000833263348 601872739 /nfs/dbraw/zinc/87/27/39/601872739.db2.gz MPALNGNXKBWDNT-HZPDHXFCSA-N -1 0 346.379 3.712 20 0 EHADRM Cc1ccc(O[C@H](C)C(=O)Oc2ccc(SCC(=O)[O-])cc2)cc1 ZINC000832952862 601873698 /nfs/dbraw/zinc/87/36/98/601873698.db2.gz GFAXPPVCOBUKSF-CYBMUJFWSA-N -1 0 346.404 3.545 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000833263220 601874299 /nfs/dbraw/zinc/87/42/99/601874299.db2.gz KKBVLHVLRZUJGA-UHFFFAOYSA-N -1 0 346.448 3.985 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)c2cncc3ccccc32)cc1 ZINC000833263936 601877415 /nfs/dbraw/zinc/87/74/15/601877415.db2.gz BDCRAJPBFHNMRA-UHFFFAOYSA-N -1 0 339.372 3.631 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)c2cc3cc(F)ccc3o2)cc1 ZINC000833264757 601877547 /nfs/dbraw/zinc/87/75/47/601877547.db2.gz XUVGZRCNRIRXCM-UHFFFAOYSA-N -1 0 346.335 3.968 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)Nc1nc(C2CC2)cs1 ZINC000833166462 601884589 /nfs/dbraw/zinc/88/45/89/601884589.db2.gz YSAWCFKLBVBNDC-RYUDHWBXSA-N -1 0 337.445 3.566 20 0 EHADRM O=Cc1cc(Br)ccc1OCc1ccc(C(=O)[O-])s1 ZINC000833358218 601890434 /nfs/dbraw/zinc/89/04/34/601890434.db2.gz PFODGMHNDNSJTD-UHFFFAOYSA-N -1 0 341.182 3.600 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)c1cnc(Cl)c(Cl)c1 ZINC000833129760 601900549 /nfs/dbraw/zinc/90/05/49/601900549.db2.gz CNFCSXFPJDCSFC-PWSUYJOCSA-N -1 0 345.226 3.542 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)c1cc(Cl)nc(Cl)c1 ZINC000833131839 601907903 /nfs/dbraw/zinc/90/79/03/601907903.db2.gz HYRSYSYHOGFUCN-WDEREUQCSA-N -1 0 345.226 3.542 20 0 EHADRM O=C([O-])c1cccc(Cc2cnc(NC(=O)[C@H]3CC34CCC4)s2)c1 ZINC000833330139 601908917 /nfs/dbraw/zinc/90/89/17/601908917.db2.gz ZZKJYCFWENOAFZ-CQSZACIVSA-N -1 0 342.420 3.561 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000537366206 601910645 /nfs/dbraw/zinc/91/06/45/601910645.db2.gz LIMOQWNRIFEUCB-QWHCGFSZSA-N -1 0 338.473 3.728 20 0 EHADRM C[C@H](CNc1ccccc1)NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000827511908 601915568 /nfs/dbraw/zinc/91/55/68/601915568.db2.gz CAPLSJJAHZVRCN-LLVKDONJSA-N -1 0 347.802 3.660 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2ccc(Oc3ccccc3)o2)c1 ZINC000537367443 601921959 /nfs/dbraw/zinc/92/19/59/601921959.db2.gz DDVWFHAIUWRTLP-UHFFFAOYSA-N -1 0 337.331 3.700 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)Cc2cc(Cl)ccc2Cl)c1 ZINC000238136227 601924138 /nfs/dbraw/zinc/92/41/38/601924138.db2.gz OTTKDFGYVNPJRV-UHFFFAOYSA-N -1 0 338.190 3.551 20 0 EHADRM CCC[C@H](NC(=O)[O-])C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000739320226 601929226 /nfs/dbraw/zinc/92/92/26/601929226.db2.gz DMJAMGJVWGKJMP-LBPRGKRZSA-N -1 0 333.413 3.549 20 0 EHADRM O=C([O-])[C@H](OC(=O)/C=C\c1ccco1)c1cc(Cl)cc(Cl)c1 ZINC000833094454 601933356 /nfs/dbraw/zinc/93/33/56/601933356.db2.gz HYSFFIOGMMKDOV-VQTKUKTRSA-N -1 0 341.146 3.969 20 0 EHADRM O=C([O-])[C@H](OC(=O)CC[C@@H]1CCCO1)c1cc(Cl)cc(Cl)c1 ZINC000833096316 601933416 /nfs/dbraw/zinc/93/34/16/601933416.db2.gz GRJUNCHIQBKQIL-GXTWGEPZSA-N -1 0 347.194 3.622 20 0 EHADRM CCCN(CC(=O)Nc1ccccc1C)Cc1ccc(C(=O)[O-])s1 ZINC000829464543 601937004 /nfs/dbraw/zinc/93/70/04/601937004.db2.gz DFFVDYMRTSTEME-UHFFFAOYSA-N -1 0 346.452 3.605 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2CC3(CCC3)Oc3ccccc32)s1 ZINC000833310889 601941936 /nfs/dbraw/zinc/94/19/36/601941936.db2.gz NNNZRIYAAJMTAC-LBPRGKRZSA-N -1 0 343.404 3.623 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cccc(OC(F)(F)F)c2)c1 ZINC000118044885 601953497 /nfs/dbraw/zinc/95/34/97/601953497.db2.gz KVLIOJSYSCQFDI-UHFFFAOYSA-N -1 0 325.242 3.536 20 0 EHADRM O=C([O-])N1Cc2ccccc2C[C@@H]1C(=O)Nc1cccc(C(F)F)c1 ZINC000740470506 601961284 /nfs/dbraw/zinc/96/12/84/601961284.db2.gz PSADKKFERHTDHL-OAHLLOKOSA-N -1 0 346.333 3.668 20 0 EHADRM CC(C)[C@H](C)N(C)C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000826681429 601962142 /nfs/dbraw/zinc/96/21/42/601962142.db2.gz PWWNDEWYMSQDJT-VIFPVBQESA-N -1 0 332.322 3.912 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Nc2nc3c(s2)CCCCC3)c1 ZINC000569204147 601983167 /nfs/dbraw/zinc/98/31/67/601983167.db2.gz FYACUWHWUCUIIB-UHFFFAOYSA-N -1 0 345.424 3.683 20 0 EHADRM CC(C)Oc1ccc(F)cc1NC(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000738864895 601988266 /nfs/dbraw/zinc/98/82/66/601988266.db2.gz PPMSTXWSCCNIOY-UHFFFAOYSA-N -1 0 346.358 3.884 20 0 EHADRM O=C([O-])Nc1cc(C(=O)NC[C@@H]2CC=CCC2)cc(C(F)(F)F)c1 ZINC000833282296 601991115 /nfs/dbraw/zinc/99/11/15/601991115.db2.gz XFNVAPRSHFTTKU-SNVBAGLBSA-N -1 0 342.317 3.881 20 0 EHADRM Cc1ccccc1OCCCC(=O)OCc1ccc(C(=O)[O-])s1 ZINC000832979691 602002568 /nfs/dbraw/zinc/00/25/68/602002568.db2.gz VIXQFEQZUDCJBK-UHFFFAOYSA-N -1 0 334.393 3.657 20 0 EHADRM Cc1cccc(NC(=O)N2CCCC[C@H]2[C@H]2CCCN2C(=O)[O-])c1 ZINC000740172347 602004336 /nfs/dbraw/zinc/00/43/36/602004336.db2.gz XCNMVLXQJYUZSW-JKSUJKDBSA-N -1 0 331.416 3.524 20 0 EHADRM CC[C@@H](CC(=O)N(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1)C(C)C ZINC000828770303 602016889 /nfs/dbraw/zinc/01/68/89/602016889.db2.gz IOGSTSVIHOAXTL-MGPLVRAMSA-N -1 0 345.361 3.760 20 0 EHADRM Cc1cc(C(=O)NCCCCCCCC(=O)[O-])c2ccccc2n1 ZINC000180252758 602020541 /nfs/dbraw/zinc/02/05/41/602020541.db2.gz LUNZYZNYKWWFTB-UHFFFAOYSA-N -1 0 328.412 3.698 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)c1cc(Br)cs1 ZINC000180251628 602021259 /nfs/dbraw/zinc/02/12/59/602021259.db2.gz BSPJFAYBXHYKCT-UHFFFAOYSA-N -1 0 348.262 3.666 20 0 EHADRM COc1cccc([C@@H](C)C(=O)Nc2cc(NC(=O)[O-])ccc2F)c1 ZINC000739944776 602025677 /nfs/dbraw/zinc/02/56/77/602025677.db2.gz GZPIKYKIMOFAAJ-SNVBAGLBSA-N -1 0 332.331 3.666 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)Nc1c(F)cccc1F ZINC000833149877 602026082 /nfs/dbraw/zinc/02/60/82/602026082.db2.gz AXQZASVWVCTWOB-MFKMUULPSA-N -1 0 326.343 3.510 20 0 EHADRM CCCOc1cc(F)ccc1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000829527561 602026537 /nfs/dbraw/zinc/02/65/37/602026537.db2.gz FWAQMATYCIZZTK-UHFFFAOYSA-N -1 0 346.358 3.634 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)c2nccc3ccccc32)c1 ZINC000740704528 602026568 /nfs/dbraw/zinc/02/65/68/602026568.db2.gz OPOKTKKVKSCDEL-UHFFFAOYSA-N -1 0 325.299 3.716 20 0 EHADRM Cc1nc2ccc(NC(=O)N[C@H]3CCCCCC[C@H]3C(=O)[O-])cc2o1 ZINC000833006683 602028692 /nfs/dbraw/zinc/02/86/92/602028692.db2.gz SKCFKOGEKQQEEE-KGLIPLIRSA-N -1 0 345.399 3.681 20 0 EHADRM CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2cccc(C(=O)[O-])c2C)C1 ZINC000830148838 602031570 /nfs/dbraw/zinc/03/15/70/602031570.db2.gz AMSRULPWBCDZSN-CHWSQXEVSA-N -1 0 336.457 3.831 20 0 EHADRM CCOc1ccc(NC(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])c(C)c1 ZINC000830085108 602034832 /nfs/dbraw/zinc/03/48/32/602034832.db2.gz OCORXUNJXIFWSD-DOTOQJQBSA-N -1 0 348.443 3.939 20 0 EHADRM CN(CC(=O)Nc1cc(Cl)ccc1NCc1ccccc1)C(=O)[O-] ZINC000830682046 602037152 /nfs/dbraw/zinc/03/71/52/602037152.db2.gz MTUFYTGHRQJXHY-UHFFFAOYSA-N -1 0 347.802 3.500 20 0 EHADRM O=C([O-])N[C@H]1CCCN(C(=O)Nc2cccc(-c3cccs3)c2)C1 ZINC000738649923 602051384 /nfs/dbraw/zinc/05/13/84/602051384.db2.gz GFULFWHKBLTRTH-AWEZNQCLSA-N -1 0 345.424 3.679 20 0 EHADRM CC[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC000828700839 602062774 /nfs/dbraw/zinc/06/27/74/602062774.db2.gz SMICIXPRUNIVFY-ZDUSSCGKSA-N -1 0 327.380 3.948 20 0 EHADRM C[C@H](NC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1cc(Cl)ccc1Cl ZINC000263098903 602065713 /nfs/dbraw/zinc/06/57/13/602065713.db2.gz WGJIUOGUNRZQQG-BJOHPYRUSA-N -1 0 345.226 3.561 20 0 EHADRM Cc1cc(O[C@@H](C)C(=O)Nc2cccc(CC(=O)[O-])c2)ccc1Cl ZINC000532873876 602069023 /nfs/dbraw/zinc/06/90/23/602069023.db2.gz SWYLWCFBPCWARV-LBPRGKRZSA-N -1 0 347.798 3.682 20 0 EHADRM CC(C)[C@@H](NC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccccc1Cl ZINC000263200155 602070353 /nfs/dbraw/zinc/07/03/53/602070353.db2.gz HJPHFSGVGAMDCS-RHSMWYFYSA-N -1 0 338.835 3.543 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000428089717 602078550 /nfs/dbraw/zinc/07/85/50/602078550.db2.gz HEZANHKTHGGJPP-UHFFFAOYSA-N -1 0 336.347 3.529 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N[C@H](CCCc1ccccc1)c1ccccc1 ZINC000827270638 602083995 /nfs/dbraw/zinc/08/39/95/602083995.db2.gz BTWINIUAHQXGFK-VQIMIIECSA-N -1 0 339.435 3.978 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000827293162 602084462 /nfs/dbraw/zinc/08/44/62/602084462.db2.gz VTXZTUPMVKOIJO-UBAIAAOYSA-N -1 0 349.430 3.511 20 0 EHADRM CCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)CC(=O)[O-] ZINC000829527979 602084505 /nfs/dbraw/zinc/08/45/05/602084505.db2.gz NVHAZPHRRBCHCR-SECBINFHSA-N -1 0 333.306 3.544 20 0 EHADRM Cc1ccc(CN(CCc2ccccc2)C(=O)[C@H](C)CC(=O)[O-])s1 ZINC000832932331 602084850 /nfs/dbraw/zinc/08/48/50/602084850.db2.gz SHVRVHPIOSMVHQ-CQSZACIVSA-N -1 0 345.464 3.739 20 0 EHADRM Cc1[nH]ccc1C(=O)O[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000832847787 602088737 /nfs/dbraw/zinc/08/87/37/602088737.db2.gz VPODLISOFKCBIF-GFCCVEGCSA-N -1 0 328.151 3.613 20 0 EHADRM Cc1nc(C)c(C(=O)O[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)o1 ZINC000832994772 602089506 /nfs/dbraw/zinc/08/95/06/602089506.db2.gz PTVAOKBFMNRHDQ-GFCCVEGCSA-N -1 0 344.150 3.581 20 0 EHADRM CC(C)COc1cccc(NC(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000583370999 602094428 /nfs/dbraw/zinc/09/44/28/602094428.db2.gz NPZQNCPAXOSXEE-UHFFFAOYSA-N -1 0 342.395 3.993 20 0 EHADRM CCOc1ccc(NC(=O)Nc2cccc(CC(=O)[O-])c2)c(C)c1 ZINC000737887121 602096122 /nfs/dbraw/zinc/09/61/22/602096122.db2.gz WBUBWIBPEBOVNI-UHFFFAOYSA-N -1 0 328.368 3.665 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)c(Br)s1 ZINC000832864930 602098137 /nfs/dbraw/zinc/09/81/37/602098137.db2.gz HATYAJNWOOEQFK-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM Cc1cc(C(=O)NCCCCCCC(=O)[O-])c(Br)s1 ZINC000832864096 602108648 /nfs/dbraw/zinc/10/86/48/602108648.db2.gz JGRYNZVDTBCSMZ-UHFFFAOYSA-N -1 0 348.262 3.584 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 ZINC000827311046 602109578 /nfs/dbraw/zinc/10/95/78/602109578.db2.gz OXYSFJOKYYXZSL-LBPRGKRZSA-N -1 0 347.798 3.968 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc2sccc2c1 ZINC000262218676 602118424 /nfs/dbraw/zinc/11/84/24/602118424.db2.gz WXFONHZNZXHANQ-DFBGVHRSSA-N -1 0 329.421 3.759 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N(Cc1ccccc1)[C@@H](C)c1ccccc1 ZINC000827247605 602129232 /nfs/dbraw/zinc/12/92/32/602129232.db2.gz OPPKMVZGWIUAFZ-HOTGVXAUSA-N -1 0 325.408 3.887 20 0 EHADRM CCN(C(=O)[C@H](C)CC(=O)[O-])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000829590706 602131202 /nfs/dbraw/zinc/13/12/02/602131202.db2.gz BXHNCLWEXQDFMX-GHMZBOCLSA-N -1 0 331.334 3.726 20 0 EHADRM O=C([O-])c1c(C2CC2)csc1NC(=O)c1ccn(C2CCCC2)n1 ZINC000833163053 602136336 /nfs/dbraw/zinc/13/63/36/602136336.db2.gz QBYNLHFWJWBKHH-UHFFFAOYSA-N -1 0 345.424 3.888 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)Nc1cccc(-c2ccc3ccccc3c2)n1 ZINC000827318395 602141139 /nfs/dbraw/zinc/14/11/39/602141139.db2.gz WWOOLEXOZYGURS-ZDUSSCGKSA-N -1 0 334.375 3.951 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000829010032 602151133 /nfs/dbraw/zinc/15/11/33/602151133.db2.gz ZTSADMPFWBIFIE-KRWDZBQOSA-N -1 0 348.443 3.563 20 0 EHADRM Cc1cccc(Oc2ccccc2CNC(=O)[C@H](C)CC(=O)[O-])c1 ZINC000832975305 602152690 /nfs/dbraw/zinc/15/26/90/602152690.db2.gz QQZLXRIIWUIAQS-CQSZACIVSA-N -1 0 327.380 3.514 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000263166976 602159061 /nfs/dbraw/zinc/15/90/61/602159061.db2.gz FMXXDFFBFOUUGH-JCGIZDLHSA-N -1 0 347.455 3.693 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1cc(C(F)(F)F)ccc1F ZINC000238091955 602159096 /nfs/dbraw/zinc/15/90/96/602159096.db2.gz UWFHPEAOYDKIKR-UHFFFAOYSA-N -1 0 341.260 3.724 20 0 EHADRM Cc1ccc(OCc2nc(-c3ccc(F)c(C)c3)no2)c(C(=O)[O-])c1 ZINC000832950971 602159206 /nfs/dbraw/zinc/15/92/06/602159206.db2.gz DOIXEVBLUGIVOF-UHFFFAOYSA-N -1 0 342.326 3.770 20 0 EHADRM CCCC1(C(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])CC1 ZINC000829231220 602160858 /nfs/dbraw/zinc/16/08/58/602160858.db2.gz UJUBQYGKESTVMK-GOSISDBHSA-N -1 0 339.435 3.780 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NCc1cccc2nsnc21 ZINC000827047042 602161398 /nfs/dbraw/zinc/16/13/98/602161398.db2.gz CVPULNNKDXGQIB-UHFFFAOYSA-N -1 0 343.408 3.789 20 0 EHADRM C[C@H](NC(=O)N(C)C1CCCCCCC1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738966250 602173594 /nfs/dbraw/zinc/17/35/94/602173594.db2.gz YBTUHIRMPWSMPY-GJZGRUSLSA-N -1 0 339.480 3.519 20 0 EHADRM CC(C)Oc1ncc(C(=O)Nc2ccccc2NC(=O)[O-])cc1Cl ZINC000738868120 602173816 /nfs/dbraw/zinc/17/38/16/602173816.db2.gz OOGROBGGJJKOKH-UHFFFAOYSA-N -1 0 349.774 3.864 20 0 EHADRM Cc1[nH]c(-c2ccccc2)nc1C(=O)Nc1ccccc1NC(=O)[O-] ZINC000740028573 602173984 /nfs/dbraw/zinc/17/39/84/602173984.db2.gz UCRQXHBEOWFRTF-UHFFFAOYSA-N -1 0 336.351 3.727 20 0 EHADRM Cc1cc(Br)oc1C(=O)Nc1ccccc1NC(=O)[O-] ZINC000740050347 602175284 /nfs/dbraw/zinc/17/52/84/602175284.db2.gz XXNUCXVZTYDYKL-UHFFFAOYSA-N -1 0 339.145 3.693 20 0 EHADRM Cc1oc(CN(C)C(=O)c2[nH]c3ccc(C)cc3c2C)cc1C(=O)[O-] ZINC000450506844 602177433 /nfs/dbraw/zinc/17/74/33/602177433.db2.gz NGDPJRHDRZFNGV-UHFFFAOYSA-N -1 0 340.379 3.657 20 0 EHADRM O=C([O-])[C@@H](NCc1csc(-c2ccccc2)n1)c1ccccc1F ZINC000426779971 602177444 /nfs/dbraw/zinc/17/74/44/602177444.db2.gz NAVFJIYQJWIZHY-INIZCTEOSA-N -1 0 342.395 3.865 20 0 EHADRM Cc1ccc(N2CCCC2)c(C(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC000832940776 602179908 /nfs/dbraw/zinc/17/99/08/602179908.db2.gz WZFGTNGYICWXQQ-UHFFFAOYSA-N -1 0 330.409 3.607 20 0 EHADRM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000191380384 602180264 /nfs/dbraw/zinc/18/02/64/602180264.db2.gz XIRVCLYELFSXJN-MRVPVSSYSA-N -1 0 325.773 3.506 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)c1 ZINC000833342634 602186614 /nfs/dbraw/zinc/18/66/14/602186614.db2.gz IEMBEOFJRQUQRI-UHFFFAOYSA-N -1 0 333.262 3.857 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000649353180 602187908 /nfs/dbraw/zinc/18/79/08/602187908.db2.gz BUVYNALORRFTTR-XYPHTWIQSA-N -1 0 340.423 3.643 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2cc(Br)ccc2F)c1 ZINC000191338142 602188305 /nfs/dbraw/zinc/18/83/05/602188305.db2.gz CZQDQUXUIIJRSS-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000833342738 602189849 /nfs/dbraw/zinc/18/98/49/602189849.db2.gz NOSGJLSZIARSPH-UHFFFAOYSA-N -1 0 333.262 3.857 20 0 EHADRM Cc1cccc(C(NC(=O)[C@@H](C)CC(=O)[O-])c2cccc(C)c2)c1 ZINC000832964387 602197608 /nfs/dbraw/zinc/19/76/08/602197608.db2.gz INHCWIWEINGFOV-HNNXBMFYSA-N -1 0 325.408 3.620 20 0 EHADRM O=C([O-])NCCCC(=O)N1CCCc2cc(-c3ccccc3)ccc21 ZINC000833279850 602198471 /nfs/dbraw/zinc/19/84/71/602198471.db2.gz MVGUPPMXESVISF-UHFFFAOYSA-N -1 0 338.407 3.681 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)OCc1csc(C2CCCC2)n1 ZINC000739232063 602212465 /nfs/dbraw/zinc/21/24/65/602212465.db2.gz KIAKKQSDOZNKMK-MFKMUULPSA-N -1 0 340.445 3.526 20 0 EHADRM CC1CCN(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)CC1 ZINC000828277741 602226068 /nfs/dbraw/zinc/22/60/68/602226068.db2.gz MRJIJEHMEVLMSV-UHFFFAOYSA-N -1 0 342.395 3.567 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)c3cccc4ncccc43)ccc21 ZINC000740471269 602240684 /nfs/dbraw/zinc/24/06/84/602240684.db2.gz WBISIELOSQTKBK-UHFFFAOYSA-N -1 0 333.347 3.528 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000194956205 602247251 /nfs/dbraw/zinc/24/72/51/602247251.db2.gz QTRFIKBBQRPJTA-INIZCTEOSA-N -1 0 331.799 3.984 20 0 EHADRM Cc1ccc(C)c(CC(=O)Nc2cccc(CN(C)C(=O)[O-])c2)c1 ZINC000740115683 602248669 /nfs/dbraw/zinc/24/86/69/602248669.db2.gz FGGDAWRKVSDGLE-UHFFFAOYSA-N -1 0 326.396 3.594 20 0 EHADRM CN(C(=O)c1ccc(CNC(=O)[O-])cc1)c1ccc2ccccc2c1 ZINC000739593686 602258785 /nfs/dbraw/zinc/25/87/85/602258785.db2.gz RTLSMAIWIUUNHS-UHFFFAOYSA-N -1 0 334.375 3.884 20 0 EHADRM Cc1oc(-c2cccs2)nc1CN1CCCC[C@@H]1[C@H](C)NC(=O)[O-] ZINC000740274538 602263910 /nfs/dbraw/zinc/26/39/10/602263910.db2.gz OAYLFAYRFKWWJF-SMDDNHRTSA-N -1 0 349.456 3.722 20 0 EHADRM O=C([O-])c1ccc(-c2nc(COC(=O)C3=CCCC3)cs2)cc1 ZINC000833353893 602272906 /nfs/dbraw/zinc/27/29/06/602272906.db2.gz XFWBEYRSTJVIIK-UHFFFAOYSA-N -1 0 329.377 3.662 20 0 EHADRM CC(C)CC[C@@H]1CCCCN1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000826844738 602274593 /nfs/dbraw/zinc/27/45/93/602274593.db2.gz HLXOUCYQKCEUJV-INIZCTEOSA-N -1 0 348.443 3.973 20 0 EHADRM Cc1ccc(-c2nc(CN3CCCC[C@H]3[C@@H](C)NC(=O)[O-])co2)cc1 ZINC000740092554 602275216 /nfs/dbraw/zinc/27/52/16/602275216.db2.gz LPKGYDOSHPEWHV-PBHICJAKSA-N -1 0 343.427 3.661 20 0 EHADRM CN(CC1CCCCC1)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739635138 602275759 /nfs/dbraw/zinc/27/57/59/602275759.db2.gz SQIUVWGMGPEXQE-UHFFFAOYSA-N -1 0 331.416 3.771 20 0 EHADRM C[C@@H](NC(=O)Nc1cc(C(=O)[O-])cs1)c1ccc(F)c(F)c1 ZINC000827664099 602289190 /nfs/dbraw/zinc/28/91/90/602289190.db2.gz DTAPUOUBKLLKSV-SSDOTTSWSA-N -1 0 326.324 3.607 20 0 EHADRM CC(C)CN(C(=S)NCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000826865846 602300726 /nfs/dbraw/zinc/30/07/26/602300726.db2.gz ZWVRCIDKPSMANN-UHFFFAOYSA-N -1 0 328.865 3.542 20 0 EHADRM O=C([O-])c1ccc(NCC(=O)Nc2ccc3ccccc3c2)cc1F ZINC000833110516 602304078 /nfs/dbraw/zinc/30/40/78/602304078.db2.gz NVRYHOCLKVTPNY-UHFFFAOYSA-N -1 0 338.338 3.728 20 0 EHADRM Cc1ccc(NC(=O)CNc2ccc(C(=O)[O-])c(F)c2)c(Cl)c1 ZINC000832944021 602305014 /nfs/dbraw/zinc/30/50/14/602305014.db2.gz UDYNLQRFQBZMEF-UHFFFAOYSA-N -1 0 336.750 3.536 20 0 EHADRM Cc1[nH]c(C(=O)CSc2ncc(C(C)(C)C)o2)c(C)c1C(=O)[O-] ZINC000832843720 602314871 /nfs/dbraw/zinc/31/48/71/602314871.db2.gz QAFFQTLPGIJDOD-UHFFFAOYSA-N -1 0 336.413 3.590 20 0 EHADRM CN(C(=O)c1cc(F)c(Cl)cc1Cl)c1ncc(C(=O)[O-])s1 ZINC000830523741 602339794 /nfs/dbraw/zinc/33/97/94/602339794.db2.gz QERIHEJJWSPCFQ-UHFFFAOYSA-N -1 0 349.170 3.564 20 0 EHADRM CN(Cc1ccc2ccccc2c1)C(=O)C1CCC(NC(=O)[O-])CC1 ZINC000739714225 602344683 /nfs/dbraw/zinc/34/46/83/602344683.db2.gz IBSWLDOFMZOREX-UHFFFAOYSA-N -1 0 340.423 3.625 20 0 EHADRM CC1(C)Cc2cc(NC(=O)c3ccccc3NC(=O)[O-])ccc2O1 ZINC000828079051 602345626 /nfs/dbraw/zinc/34/56/26/602345626.db2.gz YGTVQFVXZSVMLS-UHFFFAOYSA-N -1 0 326.352 3.742 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)CCN(C(=O)[O-])C(C)C)c2)cs1 ZINC000740210329 602345754 /nfs/dbraw/zinc/34/57/54/602345754.db2.gz SQMOPMRTSVSIBN-UHFFFAOYSA-N -1 0 347.440 3.836 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)CC1CCSCC1 ZINC000540706565 602348180 /nfs/dbraw/zinc/34/81/80/602348180.db2.gz OUJBDQRSVMJUBN-UHFFFAOYSA-N -1 0 337.441 3.644 20 0 EHADRM Cc1ccc(CC(=O)NCCc2ccc(NC(=O)[O-])cc2)c(Cl)c1 ZINC000832930685 602350091 /nfs/dbraw/zinc/35/00/91/602350091.db2.gz ZOSIYRGQVHECJY-UHFFFAOYSA-N -1 0 346.814 3.640 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(C(F)(F)F)ccc2F)cc1F ZINC000325704685 602353380 /nfs/dbraw/zinc/35/33/80/602353380.db2.gz JZHKJGLVHDIVEG-UHFFFAOYSA-N -1 0 345.223 3.934 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)cc1F ZINC000776645747 602353955 /nfs/dbraw/zinc/35/39/55/602353955.db2.gz AZNVVCKTQFQSIA-NEPJUHHUSA-N -1 0 335.281 3.544 20 0 EHADRM CC(C)N(CCC(=O)Nc1ccccc1SC(F)F)C(=O)[O-] ZINC000738845813 602354706 /nfs/dbraw/zinc/35/47/06/602354706.db2.gz XXTYIRHYVBIVCR-UHFFFAOYSA-N -1 0 332.372 3.718 20 0 EHADRM CC(C)c1ccc([C@@H](CNC(=O)Cc2ccsc2)NC(=O)[O-])cc1 ZINC000738876771 602360960 /nfs/dbraw/zinc/36/09/60/602360960.db2.gz LJDJEQCPLJBLCR-MRXNPFEDSA-N -1 0 346.452 3.539 20 0 EHADRM COc1cc2ccccc2cc1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000776646971 602361362 /nfs/dbraw/zinc/36/13/62/602361362.db2.gz UYJVPTJKAHFQIJ-UHFFFAOYSA-N -1 0 339.322 3.938 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)Cc2ccc(C)cc2Cl)c1 ZINC000832179192 602362253 /nfs/dbraw/zinc/36/22/53/602362253.db2.gz VDDMIMAYIMNRKH-UHFFFAOYSA-N -1 0 333.771 3.536 20 0 EHADRM Cc1ccc(CC(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)c(Cl)c1 ZINC000832929260 602362732 /nfs/dbraw/zinc/36/27/32/602362732.db2.gz NUMNAJYBQMTSNC-KRWDZBQOSA-N -1 0 345.826 3.913 20 0 EHADRM C[C@H]1Cc2ccccc2[C@H]1NC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000828515297 602370175 /nfs/dbraw/zinc/37/01/75/602370175.db2.gz AGXLFTUEVQNKSP-QFYYESIMSA-N -1 0 328.343 3.579 20 0 EHADRM CCc1ccc(CN(C(=O)C2CCC(NC(=O)[O-])CC2)C2CC2)cc1 ZINC000739542920 602380945 /nfs/dbraw/zinc/38/09/45/602380945.db2.gz RZPDZCDAJOPUDG-UHFFFAOYSA-N -1 0 344.455 3.566 20 0 EHADRM C[C@@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000828520966 602382732 /nfs/dbraw/zinc/38/27/32/602382732.db2.gz DXKPFZZJVFJMSW-SNVBAGLBSA-N -1 0 346.333 3.814 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccc(F)cc1 ZINC000827487274 602384252 /nfs/dbraw/zinc/38/42/52/602384252.db2.gz ZOCMKXGCTUQARW-JTQLQIEISA-N -1 0 334.322 3.588 20 0 EHADRM CC(C)CN(C(=O)CCSCC(=O)[O-])c1ccc(Cl)cc1 ZINC000826865196 602401346 /nfs/dbraw/zinc/40/13/46/602401346.db2.gz JVXROUSRCCYKOJ-UHFFFAOYSA-N -1 0 329.849 3.537 20 0 EHADRM CCCCc1ccc(C(=O)N2CCC([C@@H](C)NC(=O)[O-])CC2)cc1 ZINC000739341883 602404153 /nfs/dbraw/zinc/40/41/53/602404153.db2.gz ONPRJACYIVPDQQ-CQSZACIVSA-N -1 0 332.444 3.538 20 0 EHADRM Cc1c(-c2nc([C@H](CC(C)C)NC(=O)[O-])no2)oc2c1C(=O)CCC2 ZINC000740033063 602407148 /nfs/dbraw/zinc/40/71/48/602407148.db2.gz XCLIIRUDKGTSSZ-JTQLQIEISA-N -1 0 347.371 3.512 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(Cc2cc3ccccc3o2)n1 ZINC000738819038 602409686 /nfs/dbraw/zinc/40/96/86/602409686.db2.gz FOTQZOGYIGSWTD-CYBMUJFWSA-N -1 0 329.356 3.761 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(COc2cccc(Cl)c2)n1 ZINC000738825272 602409817 /nfs/dbraw/zinc/40/98/17/602409817.db2.gz WHNMSIUWHXUVTD-LBPRGKRZSA-N -1 0 339.779 3.657 20 0 EHADRM CC(C)N(CCCNC(=O)Nc1cccc(C(F)F)c1)C(=O)[O-] ZINC000738846754 602412387 /nfs/dbraw/zinc/41/23/87/602412387.db2.gz RTSQFWIHPPTAAC-UHFFFAOYSA-N -1 0 329.347 3.524 20 0 EHADRM CSCc1ccc(-c2nc(C3(NC(=O)[O-])CCCC3)no2)cc1 ZINC000740013722 602413974 /nfs/dbraw/zinc/41/39/74/602413974.db2.gz DAAVOAWBSGSJGU-UHFFFAOYSA-N -1 0 333.413 3.637 20 0 EHADRM O=C([O-])NC1(c2noc(CCCc3ccc(Cl)cc3)n2)CCC1 ZINC000740549954 602418118 /nfs/dbraw/zinc/41/81/18/602418118.db2.gz MDLKTTGOTKTBQN-UHFFFAOYSA-N -1 0 335.791 3.545 20 0 EHADRM CCCN(C(=S)Nc1ccc(C(C)C)cc1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739346340 602432404 /nfs/dbraw/zinc/43/24/04/602432404.db2.gz PVDQQUJMKKBFEG-MRXNPFEDSA-N -1 0 349.500 3.971 20 0 EHADRM C/C(=C/C(=O)Nc1ccccc1CN(C)C(=O)[O-])c1cccc(F)c1 ZINC000738506209 602460663 /nfs/dbraw/zinc/46/06/63/602460663.db2.gz WMQZTEKHALFKJC-RAXLEYEMSA-N -1 0 342.370 3.978 20 0 EHADRM O=C([O-])Nc1cc(C(=O)OCc2nc3ccccc3s2)ccc1F ZINC000740694427 602481350 /nfs/dbraw/zinc/48/13/50/602481350.db2.gz CQAOCXJUNZFHOX-UHFFFAOYSA-N -1 0 346.339 3.882 20 0 EHADRM O=C([O-])Nc1cc(C(=O)NCCCCc2ccccc2)ccc1F ZINC000740696135 602482950 /nfs/dbraw/zinc/48/29/50/602482950.db2.gz OBMFTURDEQEOQS-UHFFFAOYSA-N -1 0 330.359 3.668 20 0 EHADRM Cc1ccccc1C[C@H](C)NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000740186062 602485750 /nfs/dbraw/zinc/48/57/50/602485750.db2.gz ZITICJXMNGFXDD-LBPRGKRZSA-N -1 0 330.359 3.585 20 0 EHADRM Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000740153803 602486423 /nfs/dbraw/zinc/48/64/23/602486423.db2.gz NNXBIBXHXBZJJR-HNNXBMFYSA-N -1 0 328.343 3.641 20 0 EHADRM CN(C)c1ccc([C@H]2C[C@@H]2C(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000737375975 602488306 /nfs/dbraw/zinc/48/83/06/602488306.db2.gz AJVXWMRNODIOLC-SJORKVTESA-N -1 0 339.395 3.585 20 0 EHADRM CN(Cc1ccc(F)cc1Cl)C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000737477969 602488378 /nfs/dbraw/zinc/48/83/78/602488378.db2.gz XMGGDMOZSMGZQH-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM Cc1nc2c(s1)[C@@H](N(C)C(=O)c1ccc(NC(=O)[O-])cc1)CCC2 ZINC000738365487 602489491 /nfs/dbraw/zinc/48/94/91/602489491.db2.gz NRQCLXVNWXIHNG-AWEZNQCLSA-N -1 0 345.424 3.691 20 0 EHADRM CC(C)(C)[C@H]1CCCN1C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000738676815 602499154 /nfs/dbraw/zinc/49/91/54/602499154.db2.gz TWCFBLJSZFJXLI-HZPDHXFCSA-N -1 0 332.444 3.813 20 0 EHADRM CC(C)Oc1ccccc1CC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738868386 602503952 /nfs/dbraw/zinc/50/39/52/602503952.db2.gz QWVYPRDMAQDFBP-UHFFFAOYSA-N -1 0 328.368 3.745 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)Cc2c[nH]c3cc(F)ccc23)cc1 ZINC000740709523 602504724 /nfs/dbraw/zinc/50/47/24/602504724.db2.gz JHTWGTKIDQGXJY-UHFFFAOYSA-N -1 0 327.315 3.578 20 0 EHADRM C[C@H](Oc1ccccc1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739054897 602506254 /nfs/dbraw/zinc/50/62/54/602506254.db2.gz MYZBHBMDFVQEMM-ZDUSSCGKSA-N -1 0 340.379 3.523 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])s1 ZINC000738591211 602506557 /nfs/dbraw/zinc/50/65/57/602506557.db2.gz QNCWTFZFVRCNRY-UHFFFAOYSA-N -1 0 344.392 3.634 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)c3cccc4c3CCC4)ccc21 ZINC000740471777 602509743 /nfs/dbraw/zinc/50/97/43/602509743.db2.gz JWCWAYXRCCFRDJ-UHFFFAOYSA-N -1 0 336.391 3.858 20 0 EHADRM O=C([O-])Nc1cc(C(=O)OCCCC(=O)c2ccccc2)ccc1F ZINC000740695998 602549795 /nfs/dbraw/zinc/54/97/95/602549795.db2.gz WPKNFZYCABCGQL-UHFFFAOYSA-N -1 0 345.326 3.736 20 0 EHADRM CC(C)CCOC1CCN(C(=O)Nc2ccc(NC(=O)[O-])cc2)CC1 ZINC000738823450 602600063 /nfs/dbraw/zinc/60/00/63/602600063.db2.gz UILRWYQRTAVSJG-UHFFFAOYSA-N -1 0 349.431 3.836 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(NC(=O)[O-])cc1)c1cc(F)ccc1F ZINC000738978954 602602722 /nfs/dbraw/zinc/60/27/22/602602722.db2.gz DWJHZOBVXXWNQC-SECBINFHSA-N -1 0 335.310 3.937 20 0 EHADRM CC(C)CN(C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-])C1CC1 ZINC000738821849 602604702 /nfs/dbraw/zinc/60/47/02/602604702.db2.gz TZUPYZGCBMGZKX-UHFFFAOYSA-N -1 0 331.416 3.770 20 0 EHADRM CC(C)C[C@H]1CCCN1C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2 ZINC000738824647 602609257 /nfs/dbraw/zinc/60/92/57/602609257.db2.gz RSOSKUNEIUPYMJ-QGZVFWFLSA-N -1 0 345.443 3.765 20 0 EHADRM CCC(CC)[C@@H](NC(=O)N(C)[C@H](C)CNC(=O)[O-])c1cccs1 ZINC000739253653 602620527 /nfs/dbraw/zinc/62/05/27/602620527.db2.gz SIFKDFBQAIQDAM-BXUZGUMPSA-N -1 0 341.477 3.523 20 0 EHADRM Cc1ccc(C)c(C(=O)N2CCCc3cc(CNC(=O)[O-])ccc32)c1 ZINC000740118709 602645824 /nfs/dbraw/zinc/64/58/24/602645824.db2.gz XCNSAHWDSNAHDF-UHFFFAOYSA-N -1 0 338.407 3.664 20 0 EHADRM COc1ccccc1[C@@H]1CCCCN1C(=O)CCN(C(=O)[O-])C(C)C ZINC000739968180 602676201 /nfs/dbraw/zinc/67/62/01/602676201.db2.gz CMRLAWYNHMCDQJ-INIZCTEOSA-N -1 0 348.443 3.527 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)[C@H](C)c2ccccc2F)c1 ZINC000739921499 602685391 /nfs/dbraw/zinc/68/53/91/602685391.db2.gz MJEUHXRMMWKZMS-SNVBAGLBSA-N -1 0 332.331 3.666 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)NC2(c3ccc(Cl)cc3)CC2)cc1 ZINC000740674886 602688575 /nfs/dbraw/zinc/68/85/75/602688575.db2.gz ZRLCRLWGLOKJOA-UHFFFAOYSA-N -1 0 344.798 3.527 20 0 EHADRM CCC[C@@H](NC(=O)N1CCC([C@@H](C)NC(=O)[O-])CC1)c1ccccc1 ZINC000739301315 602692957 /nfs/dbraw/zinc/69/29/57/602692957.db2.gz DNHZNGWOLVFLLH-RHSMWYFYSA-N -1 0 347.459 3.606 20 0 EHADRM CC(C)c1ccccc1OCC(=O)Oc1cccc(CNC(=O)[O-])c1 ZINC000738878716 602729121 /nfs/dbraw/zinc/72/91/21/602729121.db2.gz WWSXUQBZEPLRPM-UHFFFAOYSA-N -1 0 343.379 3.562 20 0 EHADRM O=C([O-])NCc1nc(C(=O)O[C@@H]2CCCCc3ccccc32)cs1 ZINC000740686043 602729264 /nfs/dbraw/zinc/72/92/64/602729264.db2.gz UYINBXNWVOBLJB-CQSZACIVSA-N -1 0 346.408 3.535 20 0 EHADRM CC(C)(CCCc1ccccc1)C(=O)N1CCC[C@H](CNC(=O)[O-])C1 ZINC000738748366 602732731 /nfs/dbraw/zinc/73/27/31/602732731.db2.gz XKQPQRYKFYRFJQ-QGZVFWFLSA-N -1 0 346.471 3.542 20 0 EHADRM Cc1nc2c(s1)[C@@H](OC(=O)c1cccc(NC(=O)[O-])c1)CCC2 ZINC000738873260 602748845 /nfs/dbraw/zinc/74/88/45/602748845.db2.gz RERADKPTSLGDGI-ZDUSSCGKSA-N -1 0 332.381 3.776 20 0 EHADRM C[C@@H](NC(=O)[O-])C1CCN(C(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000739077859 602753613 /nfs/dbraw/zinc/75/36/13/602753613.db2.gz GXZAAQBDUNYDCV-KFWWJZLASA-N -1 0 338.492 3.734 20 0 EHADRM CCn1ncc2ccc(NC(=O)c3ccc(C)c(NC(=O)[O-])c3)cc21 ZINC000827731139 602762726 /nfs/dbraw/zinc/76/27/26/602762726.db2.gz YUJZSSGDLDFKJB-UHFFFAOYSA-N -1 0 338.367 3.707 20 0 EHADRM Cc1cc(Br)ccc1NC(=O)CCC(C)(C)NC(=O)[O-] ZINC000740048674 602784908 /nfs/dbraw/zinc/78/49/08/602784908.db2.gz ITNQUUJUQQXGJW-UHFFFAOYSA-N -1 0 343.221 3.522 20 0 EHADRM C[C@H](NC(=O)CCC(C)(C)NC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000738958847 602785565 /nfs/dbraw/zinc/78/55/65/602785565.db2.gz DDKRCOHEYSSNCQ-JTQLQIEISA-N -1 0 346.349 3.709 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N2CCC[C@@H](NC(=O)[O-])C2)cc1 ZINC000737652810 602794479 /nfs/dbraw/zinc/79/44/79/602794479.db2.gz VIINXTZNJAGQMC-RHSMWYFYSA-N -1 0 332.444 3.562 20 0 EHADRM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CCC(C)(C)NC(=O)[O-] ZINC000739705041 602794615 /nfs/dbraw/zinc/79/46/15/602794615.db2.gz MYPXYQCIBZRWLT-UHFFFAOYSA-N -1 0 347.242 3.778 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)CCC(C)(C)NC(=O)[O-] ZINC000738942561 602809030 /nfs/dbraw/zinc/80/90/30/602809030.db2.gz HMPAMNSFSKOFFP-GFCCVEGCSA-N -1 0 340.851 3.556 20 0 EHADRM CC[C@@H](CC(=O)N1CCC([C@H](C)NC(=O)[O-])CC1)c1ccc(C)cc1 ZINC000739249220 602834947 /nfs/dbraw/zinc/83/49/47/602834947.db2.gz LNXIAQZOZCQIAL-HOTGVXAUSA-N -1 0 346.471 3.773 20 0 EHADRM CCN(Cc1cccc(NC(=O)c2cc(C(C)(C)C)on2)c1)C(=O)[O-] ZINC000739447263 602843038 /nfs/dbraw/zinc/84/30/38/602843038.db2.gz NOOJHDBHKMOXMM-UHFFFAOYSA-N -1 0 345.399 3.724 20 0 EHADRM CCC[C@H](CC1CCCCC1)C(=O)N1CCC[C@@H](CNC(=O)[O-])C1 ZINC000739305096 602845742 /nfs/dbraw/zinc/84/57/42/602845742.db2.gz LKOLRHNUTSFENJ-DLBZAZTESA-N -1 0 338.492 3.879 20 0 EHADRM CCC[C@@H](CC1CCCC1)C(=O)N1CCC([C@@H](C)NC(=O)[O-])CC1 ZINC000739308870 602849442 /nfs/dbraw/zinc/84/94/42/602849442.db2.gz ZRHHVTTWHQNEMG-PBHICJAKSA-N -1 0 338.492 3.878 20 0 EHADRM C[C@]1(c2ccccc2)CCCN(C(=O)CCCCCCNC(=O)[O-])C1 ZINC000739072041 602856126 /nfs/dbraw/zinc/85/61/26/602856126.db2.gz NEQMXXWBNDCTTH-FQEVSTJZSA-N -1 0 346.471 3.785 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000740714587 602878126 /nfs/dbraw/zinc/87/81/26/602878126.db2.gz UFVPMQVNCLLAFB-ZJUUUORDSA-N -1 0 332.306 3.797 20 0 EHADRM O=C([O-])N1CCc2ccc(NC(=O)c3cccc(F)c3Cl)cc2C1 ZINC000831779065 602913609 /nfs/dbraw/zinc/91/36/09/602913609.db2.gz YQXAQFWSSMTHIM-UHFFFAOYSA-N -1 0 348.761 3.768 20 0 EHADRM C[C@H](NC(=O)CC(C)(C)NC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000738957191 602936559 /nfs/dbraw/zinc/93/65/59/602936559.db2.gz HUMQFZDCGBDQHT-QMMMGPOBSA-N -1 0 333.215 3.607 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(CNC(=O)[O-])o1)c1ccc(Cl)s1 ZINC000826613693 602938287 /nfs/dbraw/zinc/93/82/87/602938287.db2.gz OUWAMESFIDDXRZ-SECBINFHSA-N -1 0 342.804 3.643 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)N1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000740159895 602940468 /nfs/dbraw/zinc/94/04/68/602940468.db2.gz TWULDUIRSWAKJF-OKILXGFUSA-N -1 0 333.432 3.723 20 0 EHADRM COc1ccc2c(CC(=O)Oc3ccc(NC(=O)[O-])cc3)coc2c1 ZINC000738105870 602964938 /nfs/dbraw/zinc/96/49/38/602964938.db2.gz HRZCBHASCZPWIC-UHFFFAOYSA-N -1 0 341.319 3.679 20 0 EHADRM O=C([O-])NCCCC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000739953876 602985642 /nfs/dbraw/zinc/98/56/42/602985642.db2.gz OLVVNKBUJHLTRZ-OAHLLOKOSA-N -1 0 338.835 3.832 20 0 EHADRM CS[C@H]1CCC[C@@H](NC(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])C1 ZINC000739996776 602997833 /nfs/dbraw/zinc/99/78/33/602997833.db2.gz CJOKFUWZJOSTTR-OCCSQVGLSA-N -1 0 349.456 3.523 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(-c2cc(Cl)c(Cl)[nH]2)n1 ZINC000738817958 603000943 /nfs/dbraw/zinc/00/09/43/603000943.db2.gz WCOJJSUJMIZHHK-SSDOTTSWSA-N -1 0 333.175 3.726 20 0 EHADRM CCN(C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1)c1nc(C)cs1 ZINC000739381181 603007174 /nfs/dbraw/zinc/00/71/74/603007174.db2.gz OAKYWGXOIAFZJN-CQSZACIVSA-N -1 0 347.440 3.594 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)C=Cc2ccnc3ccccc23)cc1 ZINC000738665777 603007475 /nfs/dbraw/zinc/00/74/75/603007475.db2.gz PVLRFAZAEBBBMF-BJMVGYQFSA-N -1 0 333.347 3.977 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)c3cc4cc(F)ccc4o3)ccc21 ZINC000740470762 603007530 /nfs/dbraw/zinc/00/75/30/603007530.db2.gz OTXJKWKMOVLGDD-UHFFFAOYSA-N -1 0 340.310 3.865 20 0 EHADRM CC(C)Sc1ccccc1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000738870421 603008474 /nfs/dbraw/zinc/00/84/74/603008474.db2.gz XIDMEBLYAFVRFY-AGUYFDCRSA-N -1 0 348.468 3.590 20 0 EHADRM CC[C@H](c1ccncc1)N(CC)C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739265035 603009022 /nfs/dbraw/zinc/00/90/22/603009022.db2.gz OBONUYQCPFBGNR-MRXNPFEDSA-N -1 0 345.374 3.924 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc([C@H]2C[C@H]2c2cccc(Cl)c2)n1 ZINC000738906622 603016110 /nfs/dbraw/zinc/01/61/10/603016110.db2.gz JILNZNBLTLEBCN-ICCXJUOJSA-N -1 0 335.791 3.707 20 0 EHADRM C[C@@H](C(=O)NC[C@H](NC(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC000738626809 603020951 /nfs/dbraw/zinc/02/09/51/603020951.db2.gz WNNPOLGQPRCZLK-WBMJQRKESA-N -1 0 346.814 3.569 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc(-c2cccc(Cl)c2Cl)n1 ZINC000738913238 603023310 /nfs/dbraw/zinc/02/33/10/603023310.db2.gz ZQRRCONMCKPWBA-SSDOTTSWSA-N -1 0 330.171 3.757 20 0 EHADRM Cn1cccc1[C@H]1CCCN1C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000740295889 603033105 /nfs/dbraw/zinc/03/31/05/603033105.db2.gz TXSQMHXQJLBMMD-OAHLLOKOSA-N -1 0 346.362 3.623 20 0 EHADRM O=C([O-])N[C@H](CNC(=O)Cc1cccc2ccccc21)c1ccccc1 ZINC000740536188 603035136 /nfs/dbraw/zinc/03/51/36/603035136.db2.gz IQJRSLJHOJUAGH-LJQANCHMSA-N -1 0 348.402 3.507 20 0 EHADRM CC(=O)Nc1cccc(NC(=O)Nc2cc(NC(=O)[O-])ccc2F)c1 ZINC000738589568 603038490 /nfs/dbraw/zinc/03/84/90/603038490.db2.gz ZSZTWXJHJAEFPO-UHFFFAOYSA-N -1 0 346.318 3.518 20 0 EHADRM COc1ccccc1[C@@H](C)NC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739958946 603042651 /nfs/dbraw/zinc/04/26/51/603042651.db2.gz NCRMTVRPEWZHEQ-SNVBAGLBSA-N -1 0 347.346 3.807 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)CCSc2ccccc2)cc1 ZINC000827908654 603042918 /nfs/dbraw/zinc/04/29/18/603042918.db2.gz OLMHDRWLQSNHEN-UHFFFAOYSA-N -1 0 331.393 3.889 20 0 EHADRM Cc1nc2ccccc2cc1C(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000830793405 603043380 /nfs/dbraw/zinc/04/33/80/603043380.db2.gz PTGYRDKJHRKPBP-UHFFFAOYSA-N -1 0 336.347 3.877 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)/C=C/c2ccc3ccccc3n2)cc1 ZINC000827909394 603046354 /nfs/dbraw/zinc/04/63/54/603046354.db2.gz YWHLBARIJFQFMP-MDWZMJQESA-N -1 0 348.358 3.968 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)[C@@H]3CSc4ccccc43)ccc21 ZINC000740472729 603055691 /nfs/dbraw/zinc/05/56/91/603055691.db2.gz XULJRBXITBGLMU-CQSZACIVSA-N -1 0 340.404 3.555 20 0 EHADRM O=C([O-])NCCCC(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000832609471 603056597 /nfs/dbraw/zinc/05/65/97/603056597.db2.gz YOVRVRGCEAUNBO-UHFFFAOYSA-N -1 0 349.774 3.514 20 0 EHADRM C[C@H](CNC(=O)Cc1ccc(NC(=O)[O-])cc1)Sc1ccccc1 ZINC000824921627 603065157 /nfs/dbraw/zinc/06/51/57/603065157.db2.gz GPKBLJZZWSNCGJ-CYBMUJFWSA-N -1 0 344.436 3.616 20 0 EHADRM C[C@@H](NC(=O)[O-])C(=O)N(C)[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000825172646 603085090 /nfs/dbraw/zinc/08/50/90/603085090.db2.gz WMBGAYIRNNCMEQ-ZIAGYGMSSA-N -1 0 326.396 3.529 20 0 EHADRM Cc1ccc(NC(=O)CNc2ccc([C@@H](C)NC(=O)[O-])cc2)c(F)c1 ZINC000740137072 603104428 /nfs/dbraw/zinc/10/44/28/603104428.db2.gz VXMSDHVUARDEAT-GFCCVEGCSA-N -1 0 345.374 3.513 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2ccccc2CN(C)C(=O)[O-])o1 ZINC000740113219 603141104 /nfs/dbraw/zinc/14/11/04/603141104.db2.gz JXNGFKOXBFGBBS-LBPRGKRZSA-N -1 0 331.372 3.581 20 0 EHADRM CC(C)(C)[C@H](NC(=O)NC1CCC(NC(=O)[O-])CC1)c1ccccc1 ZINC000738674469 603143299 /nfs/dbraw/zinc/14/32/99/603143299.db2.gz FGIZBMWLIRIVIO-UYSNPLJNSA-N -1 0 347.459 3.652 20 0 EHADRM CCc1cccc(CC)c1NC(=O)COc1ccc(NC(=O)[O-])cc1 ZINC000737908246 603156437 /nfs/dbraw/zinc/15/64/37/603156437.db2.gz RKAQVIPSVDCMLJ-UHFFFAOYSA-N -1 0 342.395 3.919 20 0 EHADRM CC(C)[C@H](NC(=O)COc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000737609624 603157313 /nfs/dbraw/zinc/15/73/13/603157313.db2.gz HRSJJEJZJBDSGF-SFHVURJKSA-N -1 0 342.395 3.669 20 0 EHADRM CCN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739439573 603165843 /nfs/dbraw/zinc/16/58/43/603165843.db2.gz MCKFJHROOWXGSR-UKRRQHHQSA-N -1 0 338.835 3.515 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)CCc2cccc(F)c2F)cc1 ZINC000825415283 603172955 /nfs/dbraw/zinc/17/29/55/603172955.db2.gz FBGHUTYELPRGSM-NSHDSACASA-N -1 0 348.349 3.865 20 0 EHADRM CSc1ccccc1C(=O)Nc1cccc2c1CCN(C(=O)[O-])C2 ZINC000740022789 603175218 /nfs/dbraw/zinc/17/52/18/603175218.db2.gz MORMIQXLLGNINX-UHFFFAOYSA-N -1 0 342.420 3.697 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)Nc2cccc(-c3nccs3)c2)C1 ZINC000740570486 603176954 /nfs/dbraw/zinc/17/69/54/603176954.db2.gz IGUFMPAVFSLCCS-SMDDNHRTSA-N -1 0 345.424 3.575 20 0 EHADRM O=C([O-])N1CCc2c(cccc2NC(=O)c2cccc3ncccc32)C1 ZINC000740474516 603177292 /nfs/dbraw/zinc/17/72/92/603177292.db2.gz UEQFJQWZGHICBN-UHFFFAOYSA-N -1 0 347.374 3.523 20 0 EHADRM CSc1ccc(O[C@H](C)C(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738146565 603178587 /nfs/dbraw/zinc/17/85/87/603178587.db2.gz RTTCOESLFHOJOJ-LLVKDONJSA-N -1 0 346.408 3.904 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 ZINC000825616692 603179165 /nfs/dbraw/zinc/17/91/65/603179165.db2.gz IQRAYWRJKNBIKG-NEPJUHHUSA-N -1 0 346.358 3.560 20 0 EHADRM Cc1ccc(OCC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)cc1C ZINC000830407767 603181988 /nfs/dbraw/zinc/18/19/88/603181988.db2.gz VCYZYXKCEFBYSA-AWEZNQCLSA-N -1 0 342.395 3.650 20 0 EHADRM CN(Cc1ccccc1NC(=O)[C@H]1C[C@@H]1C1CCCCC1)C(=O)[O-] ZINC000739710593 603184321 /nfs/dbraw/zinc/18/43/21/603184321.db2.gz OGRPOIWBTXNEMB-CVEARBPZSA-N -1 0 330.428 3.951 20 0 EHADRM CC(C)c1nn(C)c(Cl)c1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000736532006 603195538 /nfs/dbraw/zinc/19/55/38/603195538.db2.gz IZIMGNOMRHQKKY-UHFFFAOYSA-N -1 0 336.779 3.539 20 0 EHADRM C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000825619542 603195765 /nfs/dbraw/zinc/19/57/65/603195765.db2.gz ZZBKDPKEHSVZIS-NWDGAFQWSA-N -1 0 346.358 3.560 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@@H]2CCc3ccccc3C2)c(Cl)c1 ZINC000740700052 603206011 /nfs/dbraw/zinc/20/60/11/603206011.db2.gz ZPSYBWYXQWEBBR-CYBMUJFWSA-N -1 0 344.798 3.717 20 0 EHADRM C[C@@H](CNC(=O)c1cccc(NC(=O)[O-])c1)c1ccc(F)cc1F ZINC000824973098 603207888 /nfs/dbraw/zinc/20/78/88/603207888.db2.gz CSGRQYSQEMBWNO-JTQLQIEISA-N -1 0 334.322 3.588 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)C1 ZINC000740180333 603211210 /nfs/dbraw/zinc/21/12/10/603211210.db2.gz FLAGQRTYIQNRIX-YLFCFFPRSA-N -1 0 344.455 3.526 20 0 EHADRM CC[C@H](NC(=O)c1ccc(NC(=O)[O-])cc1Cl)c1ccncc1 ZINC000739267997 603212549 /nfs/dbraw/zinc/21/25/49/603212549.db2.gz GBCSFHVLGSWYFF-AWEZNQCLSA-N -1 0 333.775 3.706 20 0 EHADRM CCc1nc(C)c([C@H](C)N(C)C(=O)c2cccc(NC(=O)[O-])c2)s1 ZINC000737282074 603213844 /nfs/dbraw/zinc/21/38/44/603213844.db2.gz QXHUPMKAHIQEMK-NSHDSACASA-N -1 0 347.440 3.937 20 0 EHADRM Cc1ccc(C(=O)N(Cc2ccccc2)CC(F)F)cc1NC(=O)[O-] ZINC000830186047 603213887 /nfs/dbraw/zinc/21/38/87/603213887.db2.gz FDNCSOGSZTYPMN-UHFFFAOYSA-N -1 0 348.349 3.992 20 0 EHADRM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739070147 603227274 /nfs/dbraw/zinc/22/72/74/603227274.db2.gz GUQFZKRIFHBCLJ-MAUKXSAKSA-N -1 0 344.798 3.890 20 0 EHADRM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739070153 603227344 /nfs/dbraw/zinc/22/73/44/603227344.db2.gz GUQFZKRIFHBCLJ-YJBOKZPZSA-N -1 0 344.798 3.890 20 0 EHADRM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)CC2CCN(C(=O)[O-])CC2)o1 ZINC000830280855 603229911 /nfs/dbraw/zinc/22/99/11/603229911.db2.gz AWRCANLPMPCDIQ-CZUORRHYSA-N -1 0 348.443 3.668 20 0 EHADRM C[C@@H](c1cccnc1)N(C)C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739061273 603233137 /nfs/dbraw/zinc/23/31/37/603233137.db2.gz SGPAXTXGOWMNOQ-JTQLQIEISA-N -1 0 333.775 3.658 20 0 EHADRM CC[C@H](C)Sc1ccc(NC(=O)[C@@H]2CCN(C(=O)[O-])C2)c(C)c1 ZINC000739249857 603235001 /nfs/dbraw/zinc/23/50/01/603235001.db2.gz PDFROVUTFFZYJH-QWHCGFSZSA-N -1 0 336.457 3.824 20 0 EHADRM CC(C)C[C@H](C(=O)N[C@H](C)[C@@H]1CCCN(C(=O)[O-])C1)c1ccccc1 ZINC000738805189 603236423 /nfs/dbraw/zinc/23/64/23/603236423.db2.gz LIBFEYUMZJBLQV-NXHRZFHOSA-N -1 0 346.471 3.711 20 0 EHADRM Cc1nc(C)c(COC(=O)c2ccc(NC(=O)[O-])cc2Cl)s1 ZINC000740218136 603240080 /nfs/dbraw/zinc/24/00/80/603240080.db2.gz OTBXQMNJRZNEGS-UHFFFAOYSA-N -1 0 340.788 3.860 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@H]2CCc3ccc(F)cc32)c(Cl)c1 ZINC000740700066 603244538 /nfs/dbraw/zinc/24/45/38/603244538.db2.gz ZRJCYYHKSLWBLE-HNNXBMFYSA-N -1 0 348.761 3.986 20 0 EHADRM Cc1cc(C)c(NC(=O)N[C@H]2CCCC[C@H]2CNC(=O)[O-])c(C)c1 ZINC000829990647 603245747 /nfs/dbraw/zinc/24/57/47/603245747.db2.gz DQNBNOIJMWLLSN-GJZGRUSLSA-N -1 0 333.432 3.560 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NC/C=C\c2ccccc2)c(Cl)c1 ZINC000740697999 603249763 /nfs/dbraw/zinc/24/97/63/603249763.db2.gz IXZIJSVVBWDSJU-DAXSKMNVSA-N -1 0 330.771 3.873 20 0 EHADRM CSc1ccc(NC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000829767006 603251220 /nfs/dbraw/zinc/25/12/20/603251220.db2.gz XHGWVCKVMHYGCE-BLLLJJGKSA-N -1 0 344.436 3.992 20 0 EHADRM CSc1ccc(NC(=O)[C@H](C)[C@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000829767009 603251575 /nfs/dbraw/zinc/25/15/75/603251575.db2.gz XHGWVCKVMHYGCE-WBMJQRKESA-N -1 0 344.436 3.992 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2ccc(F)cc2OCC2CC2)cc1 ZINC000738659776 603260895 /nfs/dbraw/zinc/26/08/95/603260895.db2.gz DFWBDUCSTACBOT-UHFFFAOYSA-N -1 0 344.342 3.957 20 0 EHADRM Cc1ccc(NC(=O)[C@@H](CNC(=O)[O-])c2ccccc2)c2cccnc12 ZINC000830356661 603281403 /nfs/dbraw/zinc/28/14/03/603281403.db2.gz ADHLQMVWHAYEOD-INIZCTEOSA-N -1 0 349.390 3.533 20 0 EHADRM COc1cc(NC(=O)N2C[C@@H](C)CCC[C@@H]2C)ccc1NC(=O)[O-] ZINC000829158359 603281479 /nfs/dbraw/zinc/28/14/79/603281479.db2.gz ANWAJARNNQTWFE-RYUDHWBXSA-N -1 0 335.404 3.828 20 0 EHADRM Cc1ccc(C(=O)N(C)Cc2ccc(F)cc2F)cc1NC(=O)[O-] ZINC000830181955 603281728 /nfs/dbraw/zinc/28/17/28/603281728.db2.gz KKRSPXGQVGJNHY-UHFFFAOYSA-N -1 0 334.322 3.635 20 0 EHADRM C[C@@H](C(=O)Nc1ccc2[nH]ccc2c1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823713170 603283300 /nfs/dbraw/zinc/28/33/00/603283300.db2.gz MFUKICKLJUHSOA-PXAZEXFGSA-N -1 0 337.379 3.751 20 0 EHADRM CC(C)(NC(=O)Cc1ccc(NC(=O)[O-])cc1)c1cccc(F)c1 ZINC000738753708 603292608 /nfs/dbraw/zinc/29/26/08/603292608.db2.gz WSNKHVRZSPLVPG-UHFFFAOYSA-N -1 0 330.359 3.510 20 0 EHADRM Cc1cc(CNC(=O)[O-])ccc1N(C(=O)c1ccsc1)C1CC1 ZINC000740077373 603296987 /nfs/dbraw/zinc/29/69/87/603296987.db2.gz SGXDJRMQYXICIX-UHFFFAOYSA-N -1 0 330.409 3.633 20 0 EHADRM O=C([O-])N1CCCN(C(=O)/C=C\c2ccsc2)c2ccccc21 ZINC000740516703 603299043 /nfs/dbraw/zinc/29/90/43/603299043.db2.gz PSTNRGIGLMCSJB-SREVYHEPSA-N -1 0 328.393 3.683 20 0 EHADRM O=C([O-])N1CCC(N(C(=O)C[C@@H]2C=CCC2)c2ccccc2F)CC1 ZINC000740500218 603299964 /nfs/dbraw/zinc/29/99/64/603299964.db2.gz GXTJZLUGQZXYBX-CQSZACIVSA-N -1 0 346.402 3.657 20 0 EHADRM Cc1cccc(CN(C)C(=O)[C@H](C)[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000830498004 603303370 /nfs/dbraw/zinc/30/33/70/603303370.db2.gz KLWRWEGOZFSKIC-QAPCUYQASA-N -1 0 340.423 3.598 20 0 EHADRM CC(C)c1ccc([C@H]2C[C@H]2C(=O)N2CCC(N(C)C(=O)[O-])CC2)cc1 ZINC000737651843 603305832 /nfs/dbraw/zinc/30/58/32/603305832.db2.gz SLXCSZOMDABENW-QZTJIDSGSA-N -1 0 344.455 3.514 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)NC2CCC(c3ccccc3)CC2)o1 ZINC000832690685 603307764 /nfs/dbraw/zinc/30/77/64/603307764.db2.gz NPCAFSIEIBMNSA-UHFFFAOYSA-N -1 0 342.395 3.503 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(NC(=O)[O-])cc1)Oc1cccc(F)c1 ZINC000824939498 603310119 /nfs/dbraw/zinc/31/01/19/603310119.db2.gz LZQCEVDDIUCYQK-NSHDSACASA-N -1 0 347.346 3.505 20 0 EHADRM COc1cccc(F)c1[C@@H](C)NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000829565240 603311259 /nfs/dbraw/zinc/31/12/59/603311259.db2.gz SPVPZLWVIXRHCB-SNVBAGLBSA-N -1 0 347.346 3.807 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cccc(CNC(=O)[O-])c2)c2ccccc21 ZINC000739145605 603323266 /nfs/dbraw/zinc/32/32/66/603323266.db2.gz NXSNKNPVGQYLQC-LBPRGKRZSA-N -1 0 325.368 3.610 20 0 EHADRM CC(=O)Nc1ccc(C)c(NC(=O)c2ccc(C)c(NC(=O)[O-])c2)c1 ZINC000823598375 603327705 /nfs/dbraw/zinc/32/77/05/603327705.db2.gz TXJCUSXBBLAKSM-UHFFFAOYSA-N -1 0 341.367 3.604 20 0 EHADRM CC[C@H]1CCCCN1C(=O)Nc1cccc(CN(CC)C(=O)[O-])c1 ZINC000739271173 603341991 /nfs/dbraw/zinc/34/19/91/603341991.db2.gz NTTBKYJVNQIMHK-INIZCTEOSA-N -1 0 333.432 3.983 20 0 EHADRM C[C@H](C(=O)Nc1ccc2ccccc2n1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823716147 603342385 /nfs/dbraw/zinc/34/23/85/603342385.db2.gz XOZFHYKFTJFMDW-UGSOOPFHSA-N -1 0 349.390 3.818 20 0 EHADRM CCN(Cc1cccc(NC(=O)N2CCC[C@H]2C(C)C)c1)C(=O)[O-] ZINC000739443072 603342833 /nfs/dbraw/zinc/34/28/33/603342833.db2.gz NPNSZBSWWNHEAZ-INIZCTEOSA-N -1 0 333.432 3.839 20 0 EHADRM Cc1ccc(C(=O)Nc2cccnc2OC(C)C)cc1NC(=O)[O-] ZINC000830233816 603345287 /nfs/dbraw/zinc/34/52/87/603345287.db2.gz IKVMRTNZKKVPJD-UHFFFAOYSA-N -1 0 329.356 3.519 20 0 EHADRM C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1NC(=O)[O-])C(F)(F)F ZINC000823714690 603353983 /nfs/dbraw/zinc/35/39/83/603353983.db2.gz QPQZHWCJJLDAPW-RXMQYKEDSA-N -1 0 344.211 3.932 20 0 EHADRM Cc1ccccc1[C@H](C)NC(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000740182184 603359336 /nfs/dbraw/zinc/35/93/36/603359336.db2.gz GZSVVVMIUDOVAB-AWEZNQCLSA-N -1 0 341.411 3.988 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)N[C@@H](c2ccccc2)C2CCCC2)o1 ZINC000832683959 603370490 /nfs/dbraw/zinc/37/04/90/603370490.db2.gz LBKJVVMVNUZRIW-KRWDZBQOSA-N -1 0 342.395 3.709 20 0 EHADRM C[C@H](Cc1nnc(SC[C@@H]2CCN(C(=O)[O-])C2)o1)c1ccccc1 ZINC000738945718 603371200 /nfs/dbraw/zinc/37/12/00/603371200.db2.gz OYBSGLHJILDBES-CHWSQXEVSA-N -1 0 347.440 3.508 20 0 EHADRM O=C([O-])NC[C@H]1CCC[C@@H]1NC(=S)Nc1ccc2ccccc2c1 ZINC000740622498 603376630 /nfs/dbraw/zinc/37/66/30/603376630.db2.gz CNODDAGCPOBHOO-ZBFHGGJFSA-N -1 0 343.452 3.563 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N[C@H]2CCCc3occc32)cc1 ZINC000825426844 603380142 /nfs/dbraw/zinc/38/01/42/603380142.db2.gz KZEDWYZZSAEZHP-NHYWBVRUSA-N -1 0 343.383 3.807 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N2CCC[C@@H]2c2ccco2)cc1 ZINC000825427224 603383852 /nfs/dbraw/zinc/38/38/52/603383852.db2.gz RNUGJARNYCOHPG-SWLSCSKDSA-N -1 0 343.383 3.977 20 0 EHADRM C[C@@H](C(=O)Nc1cccc(CN(C)C(=O)[O-])c1)c1cccc(F)c1 ZINC000738628354 603393926 /nfs/dbraw/zinc/39/39/26/603393926.db2.gz CNHCUOFLOOEGHE-GFCCVEGCSA-N -1 0 330.359 3.678 20 0 EHADRM CN(Cc1cccc(NC(=O)c2cc3cccc(F)c3o2)c1)C(=O)[O-] ZINC000739714375 603394552 /nfs/dbraw/zinc/39/45/52/603394552.db2.gz SGIFLIUVYLCLEK-UHFFFAOYSA-N -1 0 342.326 3.934 20 0 EHADRM C[C@@H](c1nc(-c2cccs2)no1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000825644596 603406564 /nfs/dbraw/zinc/40/65/64/603406564.db2.gz HEXWKBQNSGTOEP-MFKMUULPSA-N -1 0 329.381 3.911 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@H](c2nc(Cc3ccccc3Cl)no2)C1 ZINC000832337776 603414288 /nfs/dbraw/zinc/41/42/88/603414288.db2.gz DHMCKBLNEAITSB-RYUDHWBXSA-N -1 0 335.791 3.608 20 0 EHADRM COc1ccc(Cl)c(NC(=O)c2ccc(C)c(NC(=O)[O-])c2)c1 ZINC000829396449 603415281 /nfs/dbraw/zinc/41/52/81/603415281.db2.gz HSPPNRMAFFEMOL-UHFFFAOYSA-N -1 0 334.759 3.999 20 0 EHADRM O=C([O-])NC1(c2noc(-c3cccc(F)c3Cl)n2)CCCC1 ZINC000832229472 603417100 /nfs/dbraw/zinc/41/71/00/603417100.db2.gz YXHKXUQCSMYTSL-UHFFFAOYSA-N -1 0 325.727 3.566 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H](c2nc(CCCc3ccccc3)no2)C1 ZINC000832341437 603417943 /nfs/dbraw/zinc/41/79/43/603417943.db2.gz TUDNJGQXUXUSJO-LSDHHAIUSA-N -1 0 329.400 3.539 20 0 EHADRM CCN(CC(=O)N1CCC[C@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000739391880 603426304 /nfs/dbraw/zinc/42/63/04/603426304.db2.gz XNSCDVFXCJFUGN-KRWDZBQOSA-N -1 0 326.396 3.503 20 0 EHADRM Cc1cccc(NC(=O)C[C@H](Cc2ccccc2)NC(=O)[O-])c1C ZINC000830517110 603426944 /nfs/dbraw/zinc/42/69/44/603426944.db2.gz SAKMAQDSFNTFQB-INIZCTEOSA-N -1 0 326.396 3.511 20 0 EHADRM C[C@H](C(=O)N1CCCN(C(=O)[O-])c2ccccc21)c1ccccc1F ZINC000738615775 603429675 /nfs/dbraw/zinc/42/96/75/603429675.db2.gz PHQRAQAWJQQDPJ-ZDUSSCGKSA-N -1 0 342.370 3.851 20 0 EHADRM O=C([O-])N1CCCN(C(=O)c2coc3ccccc23)c2ccccc21 ZINC000740516321 603430261 /nfs/dbraw/zinc/43/02/61/603430261.db2.gz ZSMPXIASZRIGIQ-UHFFFAOYSA-N -1 0 336.347 3.968 20 0 EHADRM CC(C)[C@H](C)C(=O)N(c1ccccc1F)C1CCN(C(=O)[O-])CC1 ZINC000738772433 603433082 /nfs/dbraw/zinc/43/30/82/603433082.db2.gz POSMAVAGJXHXDG-ZDUSSCGKSA-N -1 0 336.407 3.593 20 0 EHADRM C[C@H](OC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)c1ccc(F)cc1Cl ZINC000829821657 603437593 /nfs/dbraw/zinc/43/75/93/603437593.db2.gz VOVLXQXDGVZICY-NGZCFLSTSA-N -1 0 329.755 3.520 20 0 EHADRM Cc1ccc(NC(=O)N2CCC(N(CC3CC3)C(=O)[O-])CC2)cc1F ZINC000830381623 603451258 /nfs/dbraw/zinc/45/12/58/603451258.db2.gz JCPPASOILBZYPX-UHFFFAOYSA-N -1 0 349.406 3.520 20 0 EHADRM CCN(Cc1ccc2ccccc2c1)C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000827161469 603462303 /nfs/dbraw/zinc/46/23/03/603462303.db2.gz IJZUMFIVDXUBCX-MSOLQXFVSA-N -1 0 340.423 3.625 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)CC2CCN(C(=O)[O-])CC2)cc1 ZINC000823754822 603462649 /nfs/dbraw/zinc/46/26/49/603462649.db2.gz UFUIBYWWDFKIAQ-UHFFFAOYSA-N -1 0 346.427 3.634 20 0 EHADRM CCN(CC1CCN(Cc2cc(Cl)nc(Cl)c2)CC1)C(=O)[O-] ZINC000827100473 603514500 /nfs/dbraw/zinc/51/45/00/603514500.db2.gz ZWYPLZDTJFIJPX-UHFFFAOYSA-N -1 0 346.258 3.600 20 0 EHADRM O=C([O-])Nc1ccc(CNCc2ccc(Cl)cc2Cl)cn1 ZINC000832842188 603531249 /nfs/dbraw/zinc/53/12/49/603531249.db2.gz PYVDCEAYKKCFNC-UHFFFAOYSA-N -1 0 326.183 3.768 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(NC(=O)[O-])cc1O ZINC000825778341 603558435 /nfs/dbraw/zinc/55/84/35/603558435.db2.gz LTHWKHSYSDIWMH-WFASDCNBSA-N -1 0 340.379 3.500 20 0 EHADRM CCN(CC1CCN(C(=O)Nc2c(C)cccc2C)CC1)C(=O)[O-] ZINC000827075455 603578022 /nfs/dbraw/zinc/57/80/22/603578022.db2.gz WNYBUDANKIRNBE-UHFFFAOYSA-N -1 0 333.432 3.547 20 0 EHADRM CC(C)[C@H](CNC(=O)Nc1ccc(NC(=O)[O-])cc1)c1cccnc1 ZINC000824121926 603584938 /nfs/dbraw/zinc/58/49/38/603584938.db2.gz BJLCYVUUVXKMHE-INIZCTEOSA-N -1 0 342.399 3.733 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)Nc2cccc(NC3CCCC3)c2)C1 ZINC000832325103 603586604 /nfs/dbraw/zinc/58/66/04/603586604.db2.gz KCSOVKFXMSZCSX-DZGCQCFKSA-N -1 0 345.443 3.806 20 0 EHADRM CC(C)C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)C1 ZINC000824231104 603596126 /nfs/dbraw/zinc/59/61/26/603596126.db2.gz DJEGILAQUWNCEP-AWEZNQCLSA-N -1 0 345.443 3.623 20 0 EHADRM CCCCCC[C@@H](C)NC(=O)N(C)C1CCC(NC(=O)[O-])CC1 ZINC000826821240 603610264 /nfs/dbraw/zinc/61/02/64/603610264.db2.gz SAGPSFVHODTPJU-WLYUNCDWSA-N -1 0 327.469 3.566 20 0 EHADRM CCc1ccc([C@H](C)NC(=O)N(C)C2CCC(NC(=O)[O-])CC2)cc1 ZINC000827578322 603612515 /nfs/dbraw/zinc/61/25/15/603612515.db2.gz YGJIDOPXDRCMCZ-IGEOTXOUSA-N -1 0 347.459 3.530 20 0 EHADRM CC(C)C[C@H]1CCN(C(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)C1 ZINC000824223280 603641887 /nfs/dbraw/zinc/64/18/87/603641887.db2.gz FBQAFAGUQDBBLF-NVXWUHKLSA-N -1 0 332.444 3.670 20 0 EHADRM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000825638227 603660892 /nfs/dbraw/zinc/66/08/92/603660892.db2.gz LHLFNYVPKIONOQ-JLSDUUJJSA-N -1 0 344.455 3.813 20 0 EHADRM Cc1ccc(C(=O)OCc2nc3cc(F)ccc3o2)cc1NC(=O)[O-] ZINC000830246042 603743338 /nfs/dbraw/zinc/74/33/38/603743338.db2.gz YHXVAQWUOUYSFN-UHFFFAOYSA-N -1 0 344.298 3.722 20 0 EHADRM CCN(CC1CCN(C(=O)c2ccc(C)c(Cl)c2)CC1)C(=O)[O-] ZINC000827083935 603746283 /nfs/dbraw/zinc/74/62/83/603746283.db2.gz LKGADLSILPILRY-UHFFFAOYSA-N -1 0 338.835 3.501 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(C2(c3cccc(F)c3)CC2)n1 ZINC000824216941 603767472 /nfs/dbraw/zinc/76/74/72/603767472.db2.gz AEKFTDRAFWVGMS-ZDUSSCGKSA-N -1 0 333.363 3.643 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N(C)[C@H](C)C1(C)CC1)C(=O)[O-] ZINC000827181848 603812681 /nfs/dbraw/zinc/81/26/81/603812681.db2.gz BAERSHHHMJMPLG-CYBMUJFWSA-N -1 0 333.432 3.839 20 0 EHADRM CC(C)[C@H](CCN(C)Cc1csc(-c2ccoc2)n1)NC(=O)[O-] ZINC000824105481 603826562 /nfs/dbraw/zinc/82/65/62/603826562.db2.gz WNIMQEAHRJQEAQ-AWEZNQCLSA-N -1 0 337.445 3.517 20 0 EHADRM CSc1ccccc1NC(=O)C[C@@H](Cc1ccccc1)NC(=O)[O-] ZINC000829771484 603942429 /nfs/dbraw/zinc/94/24/29/603942429.db2.gz CPVNKULWLPBOLN-CQSZACIVSA-N -1 0 344.436 3.616 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000826939163 603951002 /nfs/dbraw/zinc/95/10/02/603951002.db2.gz CBULRKFRSPSLFG-CMPLNLGQSA-N -1 0 340.807 3.504 20 0 EHADRM C[C@H](NC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])[C@@H](C)c1ccccc1 ZINC000825101270 603951039 /nfs/dbraw/zinc/95/10/39/603951039.db2.gz OFHQTWADNVJMLY-PETKQJPQSA-N -1 0 344.455 3.606 20 0 EHADRM O=C([O-])N[C@H]1CC[C@@H](C(=O)N2Cc3ccccc3-c3ccccc32)C1 ZINC000832255307 603951817 /nfs/dbraw/zinc/95/18/17/603951817.db2.gz SRDWHPHLYSKHKR-HIFRSBDPSA-N -1 0 336.391 3.637 20 0 EHADRM CC(C)(C)c1ncsc1C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000823870471 603958841 /nfs/dbraw/zinc/95/88/41/603958841.db2.gz YUUJVVOVULFFGL-UHFFFAOYSA-N -1 0 345.424 3.733 20 0 EHADRM C[C@H]1CCC[C@H](N(C)C(=O)Nc2cccc3c2CCN3C(=O)[O-])C1 ZINC000825885776 603979018 /nfs/dbraw/zinc/97/90/18/603979018.db2.gz FPTNOLFWADLKJC-STQMWFEESA-N -1 0 331.416 3.770 20 0 EHADRM O=C(/C=C\SCc1ccco1)Nc1cccc2c1CCN2C(=O)[O-] ZINC000831292120 604047440 /nfs/dbraw/zinc/04/74/40/604047440.db2.gz JPHWGIPMDHYPBV-YFHOEESVSA-N -1 0 344.392 3.706 20 0 EHADRM COc1ccc(NC(=O)c2cc(C)c(F)cc2F)cc1NC(=O)[O-] ZINC000829474472 604051453 /nfs/dbraw/zinc/05/14/53/604051453.db2.gz JMDWCFSXCXAYAO-UHFFFAOYSA-N -1 0 336.294 3.624 20 0 EHADRM CCS[C@H]1CCC[C@@H](NC(=O)c2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000827495673 604062148 /nfs/dbraw/zinc/06/21/48/604062148.db2.gz LFICCTCNEVWBOE-NEPJUHHUSA-N -1 0 340.420 3.710 20 0 EHADRM CCc1cccc(CC)c1NC(=O)N1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000827596539 604065314 /nfs/dbraw/zinc/06/53/14/604065314.db2.gz VEDQDXXZZHUUOZ-XJKSGUPXSA-N -1 0 347.459 3.711 20 0 EHADRM CCc1cccc(CC)c1NC(=O)N1CCC[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000827596535 604065385 /nfs/dbraw/zinc/06/53/85/604065385.db2.gz VEDQDXXZZHUUOZ-CJNGLKHVSA-N -1 0 347.459 3.711 20 0 EHADRM Cc1nc(CN2CCC[C@H](NC(=O)[O-])C2)oc1-c1ccc(Cl)cc1 ZINC000830745617 604119611 /nfs/dbraw/zinc/11/96/11/604119611.db2.gz CCBCTWNGRCQKAU-AWEZNQCLSA-N -1 0 349.818 3.535 20 0 EHADRM CCCOc1ccccc1NC(=O)N(C)C1CCC(NC(=O)[O-])CC1 ZINC000826944705 604121567 /nfs/dbraw/zinc/12/15/67/604121567.db2.gz FZIBYBKUPNTSSY-UHFFFAOYSA-N -1 0 349.431 3.518 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N1CCC[C@H]2CCC[C@H]21)C(=O)[O-] ZINC000827187221 604137633 /nfs/dbraw/zinc/13/76/33/604137633.db2.gz UDYYVHJJEKDOTI-RHSMWYFYSA-N -1 0 345.443 3.983 20 0 EHADRM C[C@H](c1ccccc1)[C@H](C)NC(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000825125692 604210867 /nfs/dbraw/zinc/21/08/67/604210867.db2.gz BFYLQADMMALIPK-KBPBESRZSA-N -1 0 326.396 3.627 20 0 EHADRM O=C([O-])N[C@H]1CC[C@H](C(=O)Oc2ccccc2-c2ccccc2)C1 ZINC000832312927 604220196 /nfs/dbraw/zinc/22/01/96/604220196.db2.gz NYFVKWNIKQFGSS-GJZGRUSLSA-N -1 0 325.364 3.695 20 0 EHADRM O=C([O-])N(CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000831272061 604244626 /nfs/dbraw/zinc/24/46/26/604244626.db2.gz HMUGPEFAYFFIMX-ZWKOTPCHSA-N -1 0 348.487 3.584 20 0 EHADRM Cc1ccc(C(=O)O[C@H](C)c2nc3ccccc3[nH]2)cc1NC(=O)[O-] ZINC000830237085 604247552 /nfs/dbraw/zinc/24/75/52/604247552.db2.gz GITBJAREDKRJHK-LLVKDONJSA-N -1 0 339.351 3.879 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)O[C@H]2CCc3ccc(Cl)cc32)o1 ZINC000832710262 604256182 /nfs/dbraw/zinc/25/61/82/604256182.db2.gz LYVVWEVMADBYKD-ZDUSSCGKSA-N -1 0 335.743 3.545 20 0 EHADRM CC(=O)Oc1ccc(CN2CCCN(C(=O)[O-])c3ccccc32)cc1 ZINC000823627946 604261821 /nfs/dbraw/zinc/26/18/21/604261821.db2.gz KWNBUYAILJTYTR-UHFFFAOYSA-N -1 0 340.379 3.507 20 0 EHADRM CCN(Cc1ccc(Cl)cc1)C(=O)c1c(C)[nH]c(C(=O)[O-])c1C ZINC000829718302 604277683 /nfs/dbraw/zinc/27/76/83/604277683.db2.gz HBXZCZNLYCRFKE-UHFFFAOYSA-N -1 0 334.803 3.645 20 0 EHADRM CN(C(=O)c1ccc(-c2ccco2)s1)[C@H](C(=O)[O-])c1ccccc1 ZINC000830523731 604283021 /nfs/dbraw/zinc/28/30/21/604283021.db2.gz QDKGZKRFWFTONK-INIZCTEOSA-N -1 0 341.388 3.906 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1ncc(-c2ccccc2)s1 ZINC000832847030 604286619 /nfs/dbraw/zinc/28/66/19/604286619.db2.gz FHVRGPVPCDOVIZ-UHFFFAOYSA-N -1 0 341.392 3.706 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@@H]1c1ccccc1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824583319 604294604 /nfs/dbraw/zinc/29/46/04/604294604.db2.gz SSUUPEYJHNPZOH-BPQIPLTHSA-N -1 0 344.455 3.766 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@@H]1c1ccccc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824583321 604294944 /nfs/dbraw/zinc/29/49/44/604294944.db2.gz SSUUPEYJHNPZOH-KBAYOESNSA-N -1 0 344.455 3.766 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1ccc(-c2ccco2)s1)c1ccccc1 ZINC000833135891 604295976 /nfs/dbraw/zinc/29/59/76/604295976.db2.gz VOSPLDIECKJEGZ-ZDUSSCGKSA-N -1 0 341.388 3.606 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCCC[C@H]2c2ccco2)cc1F ZINC000833309484 604297266 /nfs/dbraw/zinc/29/72/66/604297266.db2.gz IAXFQFKOVMFMHU-HNNXBMFYSA-N -1 0 331.343 3.874 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc2[nH]ccc2c1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824696865 604298146 /nfs/dbraw/zinc/29/81/46/604298146.db2.gz WYCHRGFUNGKUGN-JSGCOSHPSA-N -1 0 329.400 3.523 20 0 EHADRM O=C([O-])N1CCc2c(cccc2NCc2ccn(C3CCCC3)n2)C1 ZINC000832080134 604300319 /nfs/dbraw/zinc/30/03/19/604300319.db2.gz RRMXFDNRONBMBD-UHFFFAOYSA-N -1 0 340.427 3.646 20 0 EHADRM Cc1cccc(-c2cncc(C(=O)N[C@H](C(=O)[O-])c3ccccc3)c2)c1 ZINC000190743829 604300468 /nfs/dbraw/zinc/30/04/68/604300468.db2.gz YRPPEXUVHTUUIP-IBGZPJMESA-N -1 0 346.386 3.613 20 0 EHADRM CC[C@@](NC(=O)Cc1ccc(F)cc1Cl)(C(=O)[O-])c1ccccc1 ZINC000828939263 604311182 /nfs/dbraw/zinc/31/11/82/604311182.db2.gz FEKFZEDVIIKGNC-SFHVURJKSA-N -1 0 349.789 3.528 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000738320588 604319676 /nfs/dbraw/zinc/31/96/76/604319676.db2.gz JEVRYMUEGXIEEK-WFASDCNBSA-N -1 0 340.423 3.656 20 0 EHADRM Cc1cc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)c2cccnc2c1C ZINC000832896047 604327853 /nfs/dbraw/zinc/32/78/53/604327853.db2.gz FFINFFIMTGDLHY-UHFFFAOYSA-N -1 0 338.338 3.941 20 0 EHADRM O=C([O-])c1ccc(CN[C@@H]2CCOc3c(Cl)c(Cl)ccc32)o1 ZINC000833314558 604330996 /nfs/dbraw/zinc/33/09/96/604330996.db2.gz MXNGYSMKUCDEGS-LLVKDONJSA-N -1 0 342.178 3.898 20 0 EHADRM C[C@H](C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])c1cccs1 ZINC000825995777 604377509 /nfs/dbraw/zinc/37/75/09/604377509.db2.gz SDTHONKCFKHAFY-WFASDCNBSA-N -1 0 331.437 3.820 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)/C=C/c1cccs1)c1ccccc1 ZINC000826089053 604379795 /nfs/dbraw/zinc/37/97/95/604379795.db2.gz HGMQVFRVWCZSSN-OFAQMXQXSA-N -1 0 329.421 3.730 20 0 EHADRM Cc1cc([C@H](C)N2C[C@@H](C)O[C@@H](c3ccccc3)C2)oc1C(=O)[O-] ZINC000516932720 604383143 /nfs/dbraw/zinc/38/31/43/604383143.db2.gz ZYAGWJIIENLOOS-JKIFEVAISA-N -1 0 329.396 3.809 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)/C=C/c1cccc(F)c1)c1ccccc1 ZINC000826089019 604383976 /nfs/dbraw/zinc/38/39/76/604383976.db2.gz GTAIDWQXDYEIEA-IENJSVCTSA-N -1 0 341.382 3.807 20 0 EHADRM CC(C)n1nccc1C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000827207058 604389477 /nfs/dbraw/zinc/38/94/77/604389477.db2.gz JZYITIQJPOWWRE-UHFFFAOYSA-N -1 0 335.429 3.774 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N[C@@H]1CC2CCC1CC2)C(=O)[O-] ZINC000827916497 604394067 /nfs/dbraw/zinc/39/40/67/604394067.db2.gz UBBGBTZTWKNSHF-LFUGVXIPSA-N -1 0 333.453 3.560 20 0 EHADRM CCC(CC)n1nccc1-c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000828874698 604403969 /nfs/dbraw/zinc/40/39/69/604403969.db2.gz LYENRVSSPFRTQD-UHFFFAOYSA-N -1 0 326.356 3.659 20 0 EHADRM Cc1oc(COc2cc(F)ccc2Br)cc1C(=O)[O-] ZINC000160125862 604405255 /nfs/dbraw/zinc/40/52/55/604405255.db2.gz HBBQRGAGACORRL-UHFFFAOYSA-N -1 0 329.121 3.767 20 0 EHADRM COc1ccc(C(C)(C)C(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)cc1 ZINC000832216737 604410824 /nfs/dbraw/zinc/41/08/24/604410824.db2.gz LQVWSSNRZUTRKZ-ZDUSSCGKSA-N -1 0 342.391 3.975 20 0 EHADRM C[C@@H](NC(=O)NCc1ccc([C@@H](C)NC(=O)[O-])cc1)c1cccs1 ZINC000825383932 604421632 /nfs/dbraw/zinc/42/16/32/604421632.db2.gz YACCBBPFSUPQDG-VXGBXAGGSA-N -1 0 347.440 3.637 20 0 EHADRM COc1ccc(C(C)(C)C(=O)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC000832216818 604424810 /nfs/dbraw/zinc/42/48/10/604424810.db2.gz QMORJWOXQFKRKS-UHFFFAOYSA-N -1 0 327.380 3.618 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)Cc1ccc(C)cc1 ZINC000829025682 604427828 /nfs/dbraw/zinc/42/78/28/604427828.db2.gz FEZSTTKHKLTEPN-SFHVURJKSA-N -1 0 325.408 3.602 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc(OCC(F)(F)F)c2)cc1 ZINC000833319951 604434932 /nfs/dbraw/zinc/43/49/32/604434932.db2.gz SXCNSWYFPLFQQK-UHFFFAOYSA-N -1 0 339.269 3.578 20 0 EHADRM CC1(C)C[C@H](NC(=O)c2ccc(C(=O)[O-])c(F)c2)c2ccccc21 ZINC000828056661 604451142 /nfs/dbraw/zinc/45/11/42/604451142.db2.gz VLCPMYBSNAUMGP-INIZCTEOSA-N -1 0 327.355 3.676 20 0 EHADRM CC(C)(C)O[C@H](C(=O)Oc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000833446416 604469166 /nfs/dbraw/zinc/46/91/66/604469166.db2.gz ZVHRAVAVQQHRRZ-INIZCTEOSA-N -1 0 328.364 3.847 20 0 EHADRM CC(C)(C)O[C@@H](C(=O)Oc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC000833446025 604469267 /nfs/dbraw/zinc/46/92/67/604469267.db2.gz MSEIRPSRKSYIDT-GOSISDBHSA-N -1 0 342.391 3.776 20 0 EHADRM CC(C)(C)[C@@H](OC(=O)CCc1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000833426767 604474356 /nfs/dbraw/zinc/47/43/56/604474356.db2.gz KXUZLERRNQMITJ-CQSZACIVSA-N -1 0 332.318 3.838 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000827654011 604477940 /nfs/dbraw/zinc/47/79/40/604477940.db2.gz WECOWCQVLQQEHX-GXSJLCMTSA-N -1 0 345.226 3.703 20 0 EHADRM COc1cc(OC)cc([C@H](C(=O)[O-])N2C[C@H](C)[C@@H]2c2ccccc2)c1 ZINC000832041105 604481092 /nfs/dbraw/zinc/48/10/92/604481092.db2.gz NRVRTBVJOQVXBF-MJXNMMHHSA-N -1 0 341.407 3.523 20 0 EHADRM CC(=O)CCCCCCC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000833387461 604484185 /nfs/dbraw/zinc/48/41/85/604484185.db2.gz CZZREPBTYKDOFJ-UHFFFAOYSA-N -1 0 325.792 3.906 20 0 EHADRM COc1ccccc1[C@H]1CCCN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000832602890 604485976 /nfs/dbraw/zinc/48/59/76/604485976.db2.gz WTASYPYPYDIGRH-CYBMUJFWSA-N -1 0 346.408 3.824 20 0 EHADRM CC(C)(NC(=O)Nc1cc(C(=O)[O-])cs1)c1ccc(F)c(F)c1 ZINC000826621505 604489062 /nfs/dbraw/zinc/48/90/62/604489062.db2.gz YMCXLHUDGXGZGC-UHFFFAOYSA-N -1 0 340.351 3.781 20 0 EHADRM CC(C)N(CCc1nccs1)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000833496426 604489115 /nfs/dbraw/zinc/48/91/15/604489115.db2.gz KDPBWSMDBUZOFB-UHFFFAOYSA-N -1 0 348.428 3.718 20 0 EHADRM CCOc1ccc([C@@H](C)NC(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000830064130 604500211 /nfs/dbraw/zinc/50/02/11/604500211.db2.gz NYLGRWAGTHJBDE-SNVBAGLBSA-N -1 0 334.397 3.728 20 0 EHADRM O=C([O-])c1csc(NC(=O)Nc2ccccc2OCC(F)F)c1 ZINC000833151592 604500831 /nfs/dbraw/zinc/50/08/31/604500831.db2.gz RBUWTDNGNKDRIF-UHFFFAOYSA-N -1 0 342.323 3.734 20 0 EHADRM O=C([O-])c1csc(NC(=O)N[C@H]2CCc3cc(Cl)ccc32)c1 ZINC000833151951 604500864 /nfs/dbraw/zinc/50/08/64/604500864.db2.gz WKMZUVWNDYISLR-LBPRGKRZSA-N -1 0 336.800 3.909 20 0 EHADRM O=C([O-])c1csc(NC(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)c1 ZINC000833342296 604505586 /nfs/dbraw/zinc/50/55/86/604505586.db2.gz JEQZUVVZWGKDCD-CQSZACIVSA-N -1 0 348.399 3.824 20 0 EHADRM CCCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000829496489 604518498 /nfs/dbraw/zinc/51/84/98/604518498.db2.gz DLSDATLKMDDUII-UHFFFAOYSA-N -1 0 348.424 3.899 20 0 EHADRM CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(C)c(NC(=O)[O-])c2)C12CCC2 ZINC000827381319 604518662 /nfs/dbraw/zinc/51/86/62/604518662.db2.gz RGTYUNLXDQMFII-HOTGVXAUSA-N -1 0 346.427 3.505 20 0 EHADRM CC[C@@]1(C)CCN(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000829044101 604520164 /nfs/dbraw/zinc/52/01/64/604520164.db2.gz LJAFPGCUYITUEN-BEFAXECRSA-N -1 0 332.444 3.670 20 0 EHADRM CC(C)CN(C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])C(C)C ZINC000826865833 604524467 /nfs/dbraw/zinc/52/44/67/604524467.db2.gz YUYQWXMBWZKQNP-MRXNPFEDSA-N -1 0 334.460 3.915 20 0 EHADRM CC(C)[C@H]1CCCN1C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000826735737 604524545 /nfs/dbraw/zinc/52/45/45/604524545.db2.gz IFYBFOANXMEDFZ-HZPDHXFCSA-N -1 0 332.444 3.669 20 0 EHADRM CCC(CC)n1ccc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)n1 ZINC000828870335 604528018 /nfs/dbraw/zinc/52/80/18/604528018.db2.gz OBQVNNUEDOWRCG-UHFFFAOYSA-N -1 0 335.791 3.848 20 0 EHADRM C[C@@H]1CCCN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])CC1 ZINC000828265685 604532380 /nfs/dbraw/zinc/53/23/80/604532380.db2.gz GONVPQNYUUJSHN-ZBFHGGJFSA-N -1 0 332.444 3.670 20 0 EHADRM Cc1cc([C@H](C)OC(=O)CCC(=O)c2cccs2)oc1C(=O)[O-] ZINC000832876810 604547228 /nfs/dbraw/zinc/54/72/28/604547228.db2.gz RQUFZHOQGPJQES-JTQLQIEISA-N -1 0 336.365 3.615 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000828874486 604548661 /nfs/dbraw/zinc/54/86/61/604548661.db2.gz JBDPSKVQZIENOM-UHFFFAOYSA-N -1 0 334.351 3.726 20 0 EHADRM Cc1cc([C@H](C)OC(=O)CSc2ccc(F)cc2)oc1C(=O)[O-] ZINC000832870619 604556480 /nfs/dbraw/zinc/55/64/80/604556480.db2.gz ADUWXXUCXFLFBR-JTQLQIEISA-N -1 0 338.356 3.822 20 0 EHADRM CC(C)Cn1ncc(C(=O)OCc2ccc(C(=O)[O-])s2)c1C1CC1 ZINC000833493142 604557976 /nfs/dbraw/zinc/55/79/76/604557976.db2.gz GHQNDBCCKWREEV-UHFFFAOYSA-N -1 0 348.424 3.533 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)cn1 ZINC000827117402 604559924 /nfs/dbraw/zinc/55/99/24/604559924.db2.gz CUNFVNZIXYHFNK-UHFFFAOYSA-N -1 0 348.786 3.574 20 0 EHADRM CCc1c(C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)cnn1C(C)(C)C ZINC000830209340 604567912 /nfs/dbraw/zinc/56/79/12/604567912.db2.gz JRNPFGKTSBFORL-LLVKDONJSA-N -1 0 348.399 3.718 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2c(C)nn(C(C)(C)C)c2C)oc1C(=O)[O-] ZINC000832872815 604568669 /nfs/dbraw/zinc/56/86/69/604568669.db2.gz WPVYSXYIUVDSSO-GFCCVEGCSA-N -1 0 348.399 3.773 20 0 EHADRM C[C@@H](CC(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccccc1C(F)(F)F ZINC000262821055 604574341 /nfs/dbraw/zinc/57/43/41/604574341.db2.gz ANNIGEDYBGIPQS-NWDGAFQWSA-N -1 0 343.345 3.665 20 0 EHADRM COc1ccc2[nH]cc(C(=O)O[C@@H](C)c3cc(C)c(C(=O)[O-])o3)c2c1 ZINC000832482128 604583306 /nfs/dbraw/zinc/58/33/06/604583306.db2.gz ZVGUZXBIYLLSOJ-JTQLQIEISA-N -1 0 343.335 3.694 20 0 EHADRM CC1(NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)Cc2ccccc2C1 ZINC000833567853 604587711 /nfs/dbraw/zinc/58/77/11/604587711.db2.gz SEUFUEZDCFIIMV-UHFFFAOYSA-N -1 0 343.358 3.595 20 0 EHADRM Cc1cc([C@H](C)OC(=O)[C@@H]2CSc3ccccc32)oc1C(=O)[O-] ZINC000832873979 604587759 /nfs/dbraw/zinc/58/77/59/604587759.db2.gz JGLZOKUJNFKGTF-CMPLNLGQSA-N -1 0 332.377 3.780 20 0 EHADRM CC(=O)[C@H](C)CCCCC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000825809318 604592023 /nfs/dbraw/zinc/59/20/23/604592023.db2.gz SRLSAGYUTNHWML-SNVBAGLBSA-N -1 0 325.792 3.762 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000262968288 604593593 /nfs/dbraw/zinc/59/35/93/604593593.db2.gz OJTKLNHPBHBOEB-AWEZNQCLSA-N -1 0 341.432 3.593 20 0 EHADRM C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4cncc(C(=O)[O-])c4)cc3c2C1 ZINC000833617981 604598491 /nfs/dbraw/zinc/59/84/91/604598491.db2.gz XQPGRDKZRTXBEE-NSHDSACASA-N -1 0 349.390 3.638 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2occc2Br)oc1C(=O)[O-] ZINC000832876303 604598516 /nfs/dbraw/zinc/59/85/16/604598516.db2.gz XBLYHNGKLUZSKB-ZETCQYMHSA-N -1 0 343.129 3.560 20 0 EHADRM CC(=O)c1cccc(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000825960141 604602853 /nfs/dbraw/zinc/60/28/53/604602853.db2.gz DVBFQXKRYQQLSK-HNNXBMFYSA-N -1 0 332.739 3.525 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000236808686 604610000 /nfs/dbraw/zinc/61/00/00/604610000.db2.gz ICMWDPZOOJOVHJ-LBPRGKRZSA-N -1 0 349.324 3.826 20 0 EHADRM C/C(=C/c1ccccc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000761395164 604616811 /nfs/dbraw/zinc/61/68/11/604616811.db2.gz ZKNUZJHNAJPPAR-MOJYJUKOSA-N -1 0 343.810 3.555 20 0 EHADRM Cc1ncc(CNc2ccc(N(C)C(=O)[O-])cc2)n1-c1ccccc1 ZINC000833008482 604644595 /nfs/dbraw/zinc/64/45/95/604644595.db2.gz DFBULZOUSXCYCO-UHFFFAOYSA-N -1 0 336.395 3.907 20 0 EHADRM CN(C(=O)[O-])c1ccc(NCc2c[nH]nc2-c2ccccc2F)cc1 ZINC000830519495 604645898 /nfs/dbraw/zinc/64/58/98/604645898.db2.gz SHXWJXZAMALSNT-UHFFFAOYSA-N -1 0 340.358 3.942 20 0 EHADRM CCN(Cc1cccs1)C(=O)C[C@@H](C)C1CCN(C(=O)[O-])CC1 ZINC000827193137 604654164 /nfs/dbraw/zinc/65/41/64/604654164.db2.gz HQLKZZFWZDCFQG-CYBMUJFWSA-N -1 0 338.473 3.513 20 0 EHADRM Cc1nc(NC(=O)c2ccc(-c3ccco3)s2)sc1C(=O)[O-] ZINC000833002414 604664475 /nfs/dbraw/zinc/66/44/75/604664475.db2.gz YATGLZUJUMSYDW-UHFFFAOYSA-N -1 0 334.378 3.724 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000262104645 604676726 /nfs/dbraw/zinc/67/67/26/604676726.db2.gz DWMQQKBTPJBDKL-OLZOCXBDSA-N -1 0 343.345 3.555 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000833211065 604676863 /nfs/dbraw/zinc/67/68/63/604676863.db2.gz ROQOPZRNUGDBKU-AEFFLSMTSA-N -1 0 330.428 3.567 20 0 EHADRM CCc1cc(C)c(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)o1 ZINC000237128492 604689208 /nfs/dbraw/zinc/68/92/08/604689208.db2.gz YBKHGXLFKCWANI-UHFFFAOYSA-N -1 0 331.368 3.646 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)CC1 ZINC000659774077 604704083 /nfs/dbraw/zinc/70/40/83/604704083.db2.gz WDTHMBPLDXWVDG-UHFFFAOYSA-N -1 0 347.308 3.562 20 0 EHADRM CCS[C@H](C)c1noc(COc2ccc(C(=O)[O-])cc2Cl)n1 ZINC000830151101 604707889 /nfs/dbraw/zinc/70/78/89/604707889.db2.gz UPHZAFISXYNCLH-MRVPVSSYSA-N -1 0 342.804 3.814 20 0 EHADRM O=C([O-])c1cccc(CC(=O)NCCc2csc3ccccc23)c1 ZINC000538575427 604712943 /nfs/dbraw/zinc/71/29/43/604712943.db2.gz BCBWOLWXDMVRIY-UHFFFAOYSA-N -1 0 339.416 3.501 20 0 EHADRM CC(C)C[C@@H](C)Oc1cc(CNc2cccc(C(=O)[O-])n2)ccn1 ZINC000833474932 604713228 /nfs/dbraw/zinc/71/32/28/604713228.db2.gz BYWGYILGSRZEEB-CYBMUJFWSA-N -1 0 329.400 3.600 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000262817307 604742334 /nfs/dbraw/zinc/74/23/34/604742334.db2.gz PQWZLXIXBBLLNK-OLZOCXBDSA-N -1 0 341.382 3.601 20 0 EHADRM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000833632324 604743320 /nfs/dbraw/zinc/74/33/20/604743320.db2.gz LBUVYAUWJHRJNS-WDEREUQCSA-N -1 0 345.345 3.811 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)C[C@@H](C)C2CCN(C(=O)[O-])CC2)s1 ZINC000830250953 604744203 /nfs/dbraw/zinc/74/42/03/604744203.db2.gz LJIYEDAHTKXZNZ-YPMHNXCESA-N -1 0 338.473 3.650 20 0 EHADRM CC(C)(C)Oc1ccccc1NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000262083727 604749872 /nfs/dbraw/zinc/74/98/72/604749872.db2.gz FPRIQSZNFMNPHW-UHFFFAOYSA-N -1 0 327.380 3.743 20 0 EHADRM CC(C)(C)OC(=O)c1cccc(C(=O)Nc2sccc2C(=O)[O-])c1 ZINC000833444026 604757041 /nfs/dbraw/zinc/75/70/41/604757041.db2.gz JBXZNCVLADZNAY-UHFFFAOYSA-N -1 0 347.392 3.654 20 0 EHADRM C/C(=C/C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1)C(C)(C)C ZINC000825716269 604780468 /nfs/dbraw/zinc/78/04/68/604780468.db2.gz AZBIVSQHHKUXCA-OWBHPGMISA-N -1 0 344.455 3.780 20 0 EHADRM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Cc1ccccc1C(=O)[O-] ZINC000261550850 604785318 /nfs/dbraw/zinc/78/53/18/604785318.db2.gz RHVDCPKBANCKRY-HNNXBMFYSA-N -1 0 337.419 3.755 20 0 EHADRM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000262193740 604788159 /nfs/dbraw/zinc/78/81/59/604788159.db2.gz RHYQCLMYNUFQDR-CWTRNNRKSA-N -1 0 341.382 3.506 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000833764147 604810658 /nfs/dbraw/zinc/81/06/58/604810658.db2.gz ZUFHQRKRVKXNIR-FQEVSTJZSA-N -1 0 349.386 3.816 20 0 EHADRM CC(C)c1ncc(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)s1 ZINC000827158264 604815592 /nfs/dbraw/zinc/81/55/92/604815592.db2.gz FWQWNTBHJLCZIH-LBPRGKRZSA-N -1 0 339.800 3.903 20 0 EHADRM C[C@H](CSCc1ccccc1)C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000827582113 604816458 /nfs/dbraw/zinc/81/64/58/604816458.db2.gz YPZJAINZLNIMBO-CQSZACIVSA-N -1 0 344.432 3.789 20 0 EHADRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])c(F)c1)c1c(F)cc(F)cc1F ZINC000827854303 604820584 /nfs/dbraw/zinc/82/05/84/604820584.db2.gz VBGWHEGBKJACRR-SSDOTTSWSA-N -1 0 342.244 3.859 20 0 EHADRM COC1CCC(CC(=O)Nc2scc(C3CC3)c2C(=O)[O-])CC1 ZINC000833719134 604839511 /nfs/dbraw/zinc/83/95/11/604839511.db2.gz JYWLFXATMGRTHX-UHFFFAOYSA-N -1 0 337.441 3.858 20 0 EHADRM CCn1c(NC(=O)c2ccc(C(=O)[O-])s2)nc2cc(Cl)ccc21 ZINC000833683203 604839613 /nfs/dbraw/zinc/83/96/13/604839613.db2.gz FSYOEWDKZNUTCM-UHFFFAOYSA-N -1 0 349.799 3.722 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C(C)C)cc2)cc1 ZINC000013187183 604840843 /nfs/dbraw/zinc/84/08/43/604840843.db2.gz AVAUWXRYNVPMFU-GOSISDBHSA-N -1 0 341.407 3.764 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)CCC2CCCCC2)cc1 ZINC000013427185 604842071 /nfs/dbraw/zinc/84/20/71/604842071.db2.gz ZCVPLMPSZOUHQA-KRWDZBQOSA-N -1 0 333.428 3.688 20 0 EHADRM Cc1ccc2cc(C(=O)O[C@H](C(=O)[O-])c3ccccc3F)ccc2n1 ZINC000832961994 604844545 /nfs/dbraw/zinc/84/45/45/604844545.db2.gz MUKZVDWMLSOCMG-KRWDZBQOSA-N -1 0 339.322 3.665 20 0 EHADRM Cc1ccc(C(=O)N[C@@H]2COc3ccc(Cl)cc32)cc1NC(=O)[O-] ZINC000830211248 604853512 /nfs/dbraw/zinc/85/35/12/604853512.db2.gz KURFSOGTJXHOSQ-CQSZACIVSA-N -1 0 346.770 3.602 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=S)Nc2ccccc2Cl)C1 ZINC000833416843 604856356 /nfs/dbraw/zinc/85/63/56/604856356.db2.gz GRBYKPCAVNJNBH-LLVKDONJSA-N -1 0 340.876 3.860 20 0 EHADRM C[C@@H](CC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21)c1cccc(F)c1 ZINC000669435179 604860192 /nfs/dbraw/zinc/86/01/92/604860192.db2.gz XBXOKSXCQUBWJQ-GUYCJALGSA-N -1 0 341.382 3.924 20 0 EHADRM CCN(C(=O)[C@@H]1CCCc2sccc21)c1ccccc1C(=O)[O-] ZINC000829591247 604864324 /nfs/dbraw/zinc/86/43/24/604864324.db2.gz QAYBIQIBELCPKM-CYBMUJFWSA-N -1 0 329.421 3.919 20 0 EHADRM C[C@H](OC(=O)c1cnccc1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000827873239 604867760 /nfs/dbraw/zinc/86/77/60/604867760.db2.gz GBLYQNQLWQVYTA-VIFPVBQESA-N -1 0 339.269 3.717 20 0 EHADRM COc1cccc2c(N3CCC[C@H](C(C)(C)C(=O)[O-])C3)cc(C)nc12 ZINC000833735951 604872046 /nfs/dbraw/zinc/87/20/46/604872046.db2.gz OSOYWYCPEHKDCC-AWEZNQCLSA-N -1 0 342.439 3.879 20 0 EHADRM C[C@@H]1CC[C@H](CC(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)C1 ZINC000833604700 604872715 /nfs/dbraw/zinc/87/27/15/604872715.db2.gz TZNGZRSADOCMEH-HFBDOXOYSA-N -1 0 327.783 3.547 20 0 EHADRM C[C@H](OC(=O)c1cnccc1C(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000827874372 604873824 /nfs/dbraw/zinc/87/38/24/604873824.db2.gz ZIFBSLLAVLNZHR-LBPRGKRZSA-N -1 0 327.380 3.995 20 0 EHADRM CC(C)(C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1)c1ccccc1F ZINC000833411780 604877484 /nfs/dbraw/zinc/87/74/84/604877484.db2.gz OGOXFBZCWLIJEQ-UHFFFAOYSA-N -1 0 348.399 3.774 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)N[C@@H](CC(=O)[O-])c3ccccc3)cc2C1 ZINC000013224806 604879980 /nfs/dbraw/zinc/87/99/80/604879980.db2.gz DVWLRLASYOMOOW-DOMZBBRYSA-N -1 0 343.448 3.819 20 0 EHADRM Cc1ccccc1-c1cc(NC(=O)CCc2ccccc2C(=O)[O-])n[nH]1 ZINC000833753190 604882964 /nfs/dbraw/zinc/88/29/64/604882964.db2.gz NALKUAXOOOSIOO-UHFFFAOYSA-N -1 0 349.390 3.655 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000392069452 604888416 /nfs/dbraw/zinc/88/84/16/604888416.db2.gz PMGBOXQVORHAQG-FYMRZPMTSA-N -1 0 333.472 3.552 20 0 EHADRM Cc1cc(F)ccc1C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000832890668 604889929 /nfs/dbraw/zinc/88/99/29/604889929.db2.gz ZOLCJUNNGCWOMD-INIZCTEOSA-N -1 0 329.371 3.716 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@]2(C)CCCc3ccccc32)C1 ZINC000679103554 604890583 /nfs/dbraw/zinc/89/05/83/604890583.db2.gz WRXDEDAIQBBKCW-IIBYNOLFSA-N -1 0 343.467 3.630 20 0 EHADRM CC1=C(C(=O)NC[C@@H](Cc2cccc3ccccc32)C(=O)[O-])CCC1 ZINC000262027730 604893529 /nfs/dbraw/zinc/89/35/29/604893529.db2.gz AKLSXBWGKJWKAY-QGZVFWFLSA-N -1 0 337.419 3.700 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cc3sccc3s2)C1 ZINC000317542569 604895570 /nfs/dbraw/zinc/89/55/70/604895570.db2.gz BCTWZMFNAFEZDO-SNVBAGLBSA-N -1 0 337.466 3.926 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N2CCc3ccc(F)cc3C2)ccc1F ZINC000833283180 604896254 /nfs/dbraw/zinc/89/62/54/604896254.db2.gz PJCRCXQTDFGOLA-UHFFFAOYSA-N -1 0 347.321 3.645 20 0 EHADRM Cc1ccc(NC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)cc1 ZINC000832948580 604919309 /nfs/dbraw/zinc/91/93/09/604919309.db2.gz RJBPJWBNKOBYBU-UHFFFAOYSA-N -1 0 334.759 3.756 20 0 EHADRM C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000828252490 604920672 /nfs/dbraw/zinc/92/06/72/604920672.db2.gz UELJKRGUCNNXAQ-MFKMUULPSA-N -1 0 340.807 3.504 20 0 EHADRM Cc1ccc([C@@H](C)C(=O)N(CCCC(=O)[O-])Cc2ccccc2)o1 ZINC000832924268 604933923 /nfs/dbraw/zinc/93/39/23/604933923.db2.gz NGQJSTJPQYTRGG-OAHLLOKOSA-N -1 0 329.396 3.585 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1nccc2ccccc21 ZINC000191202696 604936680 /nfs/dbraw/zinc/93/66/80/604936680.db2.gz MGXABVNVVQOZNU-UHFFFAOYSA-N -1 0 348.402 3.742 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)CCc1ccc(F)cc1 ZINC000237933945 604936901 /nfs/dbraw/zinc/93/69/01/604936901.db2.gz GDWCFCRBXFEFFZ-UHFFFAOYSA-N -1 0 343.398 3.652 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)N2CCC(CC(=O)[O-])CC2)cc1 ZINC000833493050 604948012 /nfs/dbraw/zinc/94/80/12/604948012.db2.gz IWMUEXSJUKSBLJ-HNNXBMFYSA-N -1 0 331.456 3.702 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000833492266 604971524 /nfs/dbraw/zinc/97/15/24/604971524.db2.gz DNQPCMBPARAAPG-YJBOKZPZSA-N -1 0 343.467 3.702 20 0 EHADRM CCC[C@@H](NC(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccccc1 ZINC000829223091 604981993 /nfs/dbraw/zinc/98/19/93/604981993.db2.gz LBPSHFUVTVEGSG-CQSZACIVSA-N -1 0 347.440 3.823 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1cc(C)ccc1-n1cc(C)cn1 ZINC000830378889 604984340 /nfs/dbraw/zinc/98/43/40/604984340.db2.gz AKEOYKWDLYAYLG-UHFFFAOYSA-N -1 0 339.395 3.955 20 0 EHADRM CCc1nc(NC(=O)[C@H]2CCCc3sccc32)sc1C(=O)[O-] ZINC000833676757 604997347 /nfs/dbraw/zinc/99/73/47/604997347.db2.gz VWOHIQMJDQURDV-VIFPVBQESA-N -1 0 336.438 3.524 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC000262873396 604997893 /nfs/dbraw/zinc/99/78/93/604997893.db2.gz BNLPILMZMPVFSN-LBPRGKRZSA-N -1 0 343.395 3.583 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)/C=C\c2ccc3[nH]ccc3c2)C1 ZINC000833415477 604999839 /nfs/dbraw/zinc/99/98/39/604999839.db2.gz NNJUBVZFACCOEH-IOBAAEILSA-N -1 0 340.423 3.531 20 0 EHADRM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000833616697 605003579 /nfs/dbraw/zinc/00/35/79/605003579.db2.gz DVLZTVOTDULRNL-FZKQIMNGSA-N -1 0 338.407 3.508 20 0 EHADRM CC[C@H](OC(=O)Cc1csc(-c2ccc(C(C)C)cc2)n1)C(=O)[O-] ZINC000833647215 605009971 /nfs/dbraw/zinc/00/99/71/605009971.db2.gz YTZRCZJTFRUJTR-HNNXBMFYSA-N -1 0 347.436 3.882 20 0 EHADRM CC(C)c1ccc([C@@H]2CCCN2C(=O)c2cncc(C(=O)[O-])c2)cc1 ZINC000630296984 605032860 /nfs/dbraw/zinc/03/28/60/605032860.db2.gz AHAFQDRLUYNIMZ-SFHVURJKSA-N -1 0 338.407 3.881 20 0 EHADRM C[C@H](C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21)c1c(F)cccc1F ZINC000669433973 605046977 /nfs/dbraw/zinc/04/69/77/605046977.db2.gz CLKFHHONPTZZOQ-AAEUAGOBSA-N -1 0 345.345 3.673 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)NC2(C(=O)[O-])CCSCC2)cc1 ZINC000566046354 605047352 /nfs/dbraw/zinc/04/73/52/605047352.db2.gz YPFODXPKESDCEI-ARJAWSKDSA-N -1 0 347.480 3.680 20 0 EHADRM Cc1ccc(CC(=O)OCc2ccccc2CC(=O)[O-])c(Cl)c1 ZINC000833748230 605057096 /nfs/dbraw/zinc/05/70/96/605057096.db2.gz FOELVSSIYWNHTD-UHFFFAOYSA-N -1 0 332.783 3.561 20 0 EHADRM Cc1cccc(C2(C(=O)Nc3nc4c(cccc4C(=O)[O-])[nH]3)CCC2)c1 ZINC000833752219 605060140 /nfs/dbraw/zinc/06/01/40/605060140.db2.gz DLZDCVWJZLSVOC-UHFFFAOYSA-N -1 0 349.390 3.630 20 0 EHADRM CC(C)[C@@H]1C[C@H](CC(=O)Nc2ccc(Cl)cc2C(=O)[O-])CCO1 ZINC000833472987 605073717 /nfs/dbraw/zinc/07/37/17/605073717.db2.gz YCOVYTKVJQNBNV-ABAIWWIYSA-N -1 0 339.819 3.818 20 0 EHADRM Cc1ccc(-c2nc(COC(=O)C3CCC(C(=O)[O-])CC3)co2)cc1 ZINC000833746516 605074942 /nfs/dbraw/zinc/07/49/42/605074942.db2.gz ITQMHJMXKXBZSO-UHFFFAOYSA-N -1 0 343.379 3.584 20 0 EHADRM CC[C@H]1CN(C(=O)C2CCC(C(=O)[O-])CC2)CC[C@@H]1c1ccccc1 ZINC000194435390 605087977 /nfs/dbraw/zinc/08/79/77/605087977.db2.gz PYNXRTDQMPJBHG-RXQRSOPUSA-N -1 0 343.467 3.920 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)C2CCC(C(=O)[O-])CC2)C1 ZINC000192967998 605087983 /nfs/dbraw/zinc/08/79/83/605087983.db2.gz MYZOSIBRLRPZGN-VBRUCIBASA-N -1 0 333.403 3.626 20 0 EHADRM CCc1ccc(C(C)(C)CNC(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000263519744 605089200 /nfs/dbraw/zinc/08/92/00/605089200.db2.gz GPQLEXRZLNLPHX-UHFFFAOYSA-N -1 0 331.456 3.534 20 0 EHADRM C[C@@H]1CC[C@]2(CCN(C(=O)Nc3ccc(CN(C)C(=O)[O-])cc3)C2)C1 ZINC000833612351 605096272 /nfs/dbraw/zinc/09/62/72/605096272.db2.gz TYHWZJRWTXZGML-KUHUBIRLSA-N -1 0 345.443 3.840 20 0 EHADRM C[C@@H]1CC[C@]2(CCN(C(=O)Nc3ccc(OCCC(=O)[O-])cc3)C2)C1 ZINC000833609179 605096434 /nfs/dbraw/zinc/09/64/34/605096434.db2.gz GANTWSAPMAVWGP-KUHUBIRLSA-N -1 0 346.427 3.584 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc(OC(C)C)cc1F)C(=O)[O-] ZINC000424468556 605098558 /nfs/dbraw/zinc/09/85/58/605098558.db2.gz JNDPWVIRSBJCTP-UHFFFAOYSA-N -1 0 340.395 3.625 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccccc1CC(F)(F)F)C(=O)[O-] ZINC000424388367 605102978 /nfs/dbraw/zinc/10/29/78/605102978.db2.gz YSCMQZSIVWJVGQ-UHFFFAOYSA-N -1 0 346.349 3.804 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])c1nc2ccccc2[nH]1 ZINC000683303326 605103194 /nfs/dbraw/zinc/10/31/94/605103194.db2.gz ZJCGJEFMPDWZIN-SJKOYZFVSA-N -1 0 345.443 3.657 20 0 EHADRM C[C@]1(NC(=O)[C@@H]2CCc3c2cccc3Cl)CCCC[C@H]1C(=O)[O-] ZINC000833568040 605112549 /nfs/dbraw/zinc/11/25/49/605112549.db2.gz XJTFXVPWSNJZNO-GLJUWKHASA-N -1 0 335.831 3.520 20 0 EHADRM CC(C)C[C@H](OC(=O)c1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000833482000 605116434 /nfs/dbraw/zinc/11/64/34/605116434.db2.gz YYZLWIMUNCPFRT-ZDUSSCGKSA-N -1 0 332.318 3.838 20 0 EHADRM CCCC(C)(C)NC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000169114114 605126365 /nfs/dbraw/zinc/12/63/65/605126365.db2.gz LKIGNPNVWALSKX-UHFFFAOYSA-N -1 0 343.221 3.848 20 0 EHADRM CCc1ccc(CN(C)C(=O)Nc2ccc(F)cc2C(=O)[O-])cc1 ZINC000833669851 605134151 /nfs/dbraw/zinc/13/41/51/605134151.db2.gz HHCXRRHTEJMAFH-UHFFFAOYSA-N -1 0 330.359 3.750 20 0 EHADRM C[C@H](c1ccco1)N(C(=O)Nc1cccc(F)c1C(=O)[O-])C1CC1 ZINC000833548264 605138671 /nfs/dbraw/zinc/13/86/71/605138671.db2.gz BYQIPVTVNUVEMD-SNVBAGLBSA-N -1 0 332.331 3.874 20 0 EHADRM CC(C)Oc1ccc(NC(=O)C2CCC(C(=O)[O-])CC2)cc1Cl ZINC000194395141 605146283 /nfs/dbraw/zinc/14/62/83/605146283.db2.gz QHZWRWMJCPTFEZ-UHFFFAOYSA-N -1 0 339.819 3.957 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)C1 ZINC000833601588 605153944 /nfs/dbraw/zinc/15/39/44/605153944.db2.gz MGGWKIYCNSYHMG-CHWSQXEVSA-N -1 0 327.380 3.678 20 0 EHADRM Cc1c(NC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)cnn1CC(C)C ZINC000833741857 605157825 /nfs/dbraw/zinc/15/78/25/605157825.db2.gz IZRRLEBRADSAOB-UHFFFAOYSA-N -1 0 345.403 3.606 20 0 EHADRM C[C@H](Nc1ccc(C(=O)[O-])nn1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000833524678 605158905 /nfs/dbraw/zinc/15/89/05/605158905.db2.gz HVWOKERLWMHROY-ZJUUUORDSA-N -1 0 339.317 3.798 20 0 EHADRM CCC(CC)n1nc(C(=O)Nc2scc(C(=O)[O-])c2C)cc1C ZINC000833642064 605159326 /nfs/dbraw/zinc/15/93/26/605159326.db2.gz XSIZXXIKRGWHSV-UHFFFAOYSA-N -1 0 335.429 3.873 20 0 EHADRM Cc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)nc1 ZINC000833747972 605160442 /nfs/dbraw/zinc/16/04/42/605160442.db2.gz QAZUSYRJBXAKEO-CYBMUJFWSA-N -1 0 340.162 3.680 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000833462090 605171084 /nfs/dbraw/zinc/17/10/84/605171084.db2.gz WHXLUEOIRULPRJ-UHFFFAOYSA-N -1 0 332.787 3.641 20 0 EHADRM CC(C)(C)O[C@H](C(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000833445800 605181426 /nfs/dbraw/zinc/18/14/26/605181426.db2.gz HVNKLNNDUQXARF-INIZCTEOSA-N -1 0 327.380 3.880 20 0 EHADRM CC(=O)c1cccc(OCc2coc(-c3ccc(C(=O)[O-])cc3)n2)c1 ZINC000833404011 605181682 /nfs/dbraw/zinc/18/16/82/605181682.db2.gz SFYDBQCPBGNKRT-UHFFFAOYSA-N -1 0 337.331 3.821 20 0 EHADRM CC[C@H](NC(=O)Nc1cncc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC000833642695 605182646 /nfs/dbraw/zinc/18/26/46/605182646.db2.gz GWVRUXDDYIXNBG-AWEZNQCLSA-N -1 0 333.775 3.706 20 0 EHADRM Cc1c(C(=O)[O-])csc1NC(=O)c1sccc1-n1cccc1 ZINC000833741195 605186640 /nfs/dbraw/zinc/18/66/40/605186640.db2.gz BFDPSCPKIBHDEH-UHFFFAOYSA-N -1 0 332.406 3.859 20 0 EHADRM CN(Cc1cc(F)c(F)c(F)c1)C(=O)Nc1ccsc1C(=O)[O-] ZINC000833694241 605216819 /nfs/dbraw/zinc/21/68/19/605216819.db2.gz MDRYLCDNOZIBJJ-UHFFFAOYSA-N -1 0 344.314 3.528 20 0 EHADRM C[C@@H](c1ccncc1)N(C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833549643 605217372 /nfs/dbraw/zinc/21/73/72/605217372.db2.gz FZJSOKBMTXGGBM-ZDUSSCGKSA-N -1 0 337.379 3.628 20 0 EHADRM C[C@H](Nc1ccc(CN(C)C(=O)[O-])cc1)c1ccc([S@](C)=O)cc1 ZINC000833525796 605218981 /nfs/dbraw/zinc/21/89/81/605218981.db2.gz QUFRIJUJKWQUPT-RZFZLAGVSA-N -1 0 346.452 3.707 20 0 EHADRM CC(C)(C)Oc1c(F)cc(NC(=O)CC(C)(C)CC(=O)[O-])cc1F ZINC000180729424 605224058 /nfs/dbraw/zinc/22/40/58/605224058.db2.gz QMPQXBBIPLHEKU-UHFFFAOYSA-N -1 0 343.370 3.972 20 0 EHADRM C[C@@H](CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-])c1cccc(F)c1 ZINC000833512841 605227598 /nfs/dbraw/zinc/22/75/98/605227598.db2.gz AKBBCGVYAFUOHQ-GJZGRUSLSA-N -1 0 343.398 3.821 20 0 EHADRM CC(C)COc1ccccc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000261674425 605238013 /nfs/dbraw/zinc/23/80/13/605238013.db2.gz LZQYLYKKZKCGPY-UHFFFAOYSA-N -1 0 327.380 3.601 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)c1ccc([C@H]2CCCOC2)cc1)C(=O)[O-] ZINC000833430012 605239416 /nfs/dbraw/zinc/23/94/16/605239416.db2.gz RRUPKOVUWUFWHN-JKSUJKDBSA-N -1 0 334.412 3.627 20 0 EHADRM C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4ccc(C(=O)[O-])nc4)cc3c2C1 ZINC000833616990 605250678 /nfs/dbraw/zinc/25/06/78/605250678.db2.gz LQJNZEVUPMEPJJ-LLVKDONJSA-N -1 0 349.390 3.638 20 0 EHADRM CC(C)(C)c1ccc(CCC(=O)Nc2ccc(C(=O)[O-])nc2)cc1 ZINC000833449240 605253595 /nfs/dbraw/zinc/25/35/95/605253595.db2.gz QSJQAPYIAYLHTN-UHFFFAOYSA-N -1 0 326.396 3.649 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000833642003 605255150 /nfs/dbraw/zinc/25/51/50/605255150.db2.gz VSCYVRRLBDKVST-UHFFFAOYSA-N -1 0 329.400 3.812 20 0 EHADRM Cc1ccc(NC[C@@H]2CCCN2C(=O)[O-])cc1NC(=O)C(C)(C)C ZINC000830395465 605255666 /nfs/dbraw/zinc/25/56/66/605255666.db2.gz FPFCLJRNECSWNS-AWEZNQCLSA-N -1 0 333.432 3.534 20 0 EHADRM CCCN(C(=O)CC(C)(C)CC(=O)[O-])[C@@H](C)c1ccccc1OC ZINC000833650904 605257819 /nfs/dbraw/zinc/25/78/19/605257819.db2.gz AUAAFUBSWYGAIC-AWEZNQCLSA-N -1 0 335.444 3.886 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1cnccc1-c1cccc(F)c1 ZINC000833456699 605264323 /nfs/dbraw/zinc/26/43/23/605264323.db2.gz WAJDVLNZCCVIOE-UHFFFAOYSA-N -1 0 330.359 3.717 20 0 EHADRM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833631304 605283330 /nfs/dbraw/zinc/28/33/30/605283330.db2.gz CKDPFKYHCXBZKQ-QLJPJBMISA-N -1 0 343.358 3.971 20 0 EHADRM CC(C)=C(C)C(=O)O[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000833463762 605285292 /nfs/dbraw/zinc/28/52/92/605285292.db2.gz XWGAOOUSVNDSER-ZDUSSCGKSA-N -1 0 330.302 3.601 20 0 EHADRM C[C@H](Oc1ccccc1)C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000191471189 605302229 /nfs/dbraw/zinc/30/22/29/605302229.db2.gz WVSLLRLLXPMVKS-LIRRHRJNSA-N -1 0 349.386 3.549 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)OCc1ccc(NC(=O)[O-])cc1 ZINC000833535921 605303756 /nfs/dbraw/zinc/30/37/56/605303756.db2.gz MQFONHRUZZZMMS-CYBMUJFWSA-N -1 0 335.400 3.948 20 0 EHADRM CC(C)n1cccc1C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000833513840 605315201 /nfs/dbraw/zinc/31/52/01/605315201.db2.gz WEMYIEDMGWMUFY-GOSISDBHSA-N -1 0 336.391 3.778 20 0 EHADRM Cc1ccc(C)c(SCc2nc(C[C@@H](C)N(C)C(=O)[O-])no2)c1 ZINC000830274247 605315991 /nfs/dbraw/zinc/31/59/91/605315991.db2.gz GTINIABFFNDDMN-GFCCVEGCSA-N -1 0 335.429 3.520 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@H](CCc1ccccc1)C(F)(F)F ZINC000833452428 605317964 /nfs/dbraw/zinc/31/79/64/605317964.db2.gz GCUKNUMNQJXELF-CYBMUJFWSA-N -1 0 345.361 3.557 20 0 EHADRM CCCn1c(C)nnc1S[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833653016 605339240 /nfs/dbraw/zinc/33/92/40/605339240.db2.gz RRFGJHRALDEQQG-GFCCVEGCSA-N -1 0 343.811 3.707 20 0 EHADRM CC[C@@H]1CN(C(=O)C[C@@H](c2ccccc2)C(C)C)CC[C@H]1NC(=O)[O-] ZINC000833849974 605340312 /nfs/dbraw/zinc/34/03/12/605340312.db2.gz UQVRXNPUYXHOMJ-KBAYOESNSA-N -1 0 346.471 3.711 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2ccc(-c3ncco3)cc2)ccc1F ZINC000834257064 605358188 /nfs/dbraw/zinc/35/81/88/605358188.db2.gz RKBLZFPAAYSQKD-UHFFFAOYSA-N -1 0 341.298 3.823 20 0 EHADRM CC[C@@H]1CN(C(=O)c2ccc(-c3ccco3)s2)CC[C@@H]1NC(=O)[O-] ZINC000833852105 605362729 /nfs/dbraw/zinc/36/27/29/605362729.db2.gz XJARNJHWMLEWMX-NEPJUHHUSA-N -1 0 348.424 3.516 20 0 EHADRM CC(=O)Nc1ccc(Cl)c(C(=O)Oc2cccc(NC(=O)[O-])c2)c1 ZINC000823605067 605376286 /nfs/dbraw/zinc/37/62/86/605376286.db2.gz XAYYMYRUBMHXMG-UHFFFAOYSA-N -1 0 348.742 3.608 20 0 EHADRM C[C@@H](c1cccc(O)c1)N(C)C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000825630233 605397596 /nfs/dbraw/zinc/39/75/96/605397596.db2.gz OXCYKVCVSXNFAO-JTQLQIEISA-N -1 0 348.786 3.969 20 0 EHADRM Cc1ccc(C[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000192846890 605441815 /nfs/dbraw/zinc/44/18/15/605441815.db2.gz BHLBFDQPRJJWIP-RDTXWAMCSA-N -1 0 343.398 3.645 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000249423310 605455182 /nfs/dbraw/zinc/45/51/82/605455182.db2.gz DLPSFCMOGHHLDU-BXWFABGCSA-N -1 0 339.435 3.752 20 0 EHADRM CC(C)[C@@H](C(=O)N(C)c1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000263163376 605460008 /nfs/dbraw/zinc/46/00/08/605460008.db2.gz VPXVWMLLLMYEDS-LJQANCHMSA-N -1 0 341.407 3.553 20 0 EHADRM C/C(=C\CN[C@@H](c1ccccc1OC(F)F)C(F)(F)F)C(=O)[O-] ZINC000833382032 605474451 /nfs/dbraw/zinc/47/44/51/605474451.db2.gz FSZKFWZUPSQJHF-IOCXFXADSA-N -1 0 339.260 3.512 20 0 EHADRM C[C@H]1C[C@H](Nc2cc(C(=O)[O-])ccc2OCc2ccccc2)CCO1 ZINC000833598971 605491593 /nfs/dbraw/zinc/49/15/93/605491593.db2.gz UCJKWGIDZALLJF-WMLDXEAASA-N -1 0 341.407 3.943 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)Nc1sccc1C(=O)[O-] ZINC000833660826 605504980 /nfs/dbraw/zinc/50/49/80/605504980.db2.gz UONSCJCNINGTOV-UHFFFAOYSA-N -1 0 325.773 3.751 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(-n3ccnc3)cc2)ccc1NC(=O)[O-] ZINC000829961505 605590838 /nfs/dbraw/zinc/59/08/38/605590838.db2.gz HPVFBMDFSBFBAQ-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM Cc1cc(C(=O)N(Cc2cccs2)C2CC2)ccc1NC(=O)[O-] ZINC000829919528 605592845 /nfs/dbraw/zinc/59/28/45/605592845.db2.gz MTAMWBNXPNJUFW-UHFFFAOYSA-N -1 0 330.409 3.951 20 0 EHADRM CCN(C(=O)c1ccc(NC(=O)[O-])c(C)c1)c1ccc(OC)cc1 ZINC000826982955 605595920 /nfs/dbraw/zinc/59/59/20/605595920.db2.gz ACPHSWMBVYBVSY-UHFFFAOYSA-N -1 0 328.368 3.760 20 0 EHADRM CCN(C(=O)c1ccc(NC(=O)[O-])c(C)c1)c1ccccc1OC ZINC000826983235 605601411 /nfs/dbraw/zinc/60/14/11/605601411.db2.gz IBZZAULATSJNQO-UHFFFAOYSA-N -1 0 328.368 3.760 20 0 EHADRM C[C@H]1C[C@H](C(=O)NCCc2ccc(NC(=O)[O-])cc2)CC(C)(C)C1 ZINC000833591633 605607985 /nfs/dbraw/zinc/60/79/85/605607985.db2.gz YHZRYDLKIORJHH-ZFWWWQNUSA-N -1 0 332.444 3.898 20 0 EHADRM O=C([O-])N[C@H](CC(=O)N1CCCC[C@@H]1c1ccco1)c1ccccc1 ZINC000834124697 605610187 /nfs/dbraw/zinc/61/01/87/605610187.db2.gz YKVMCGIHUZXESW-HZPDHXFCSA-N -1 0 342.395 3.732 20 0 EHADRM CC1(C)CCCC[C@H]1CC(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC000573970306 605622288 /nfs/dbraw/zinc/62/22/88/605622288.db2.gz CJIRSNFOEQTGLT-AWEZNQCLSA-N -1 0 344.455 3.880 20 0 EHADRM O=C([O-])N[C@@H](CC(=O)Nc1ccccc1-c1cccs1)C1CC1 ZINC000834131939 605622811 /nfs/dbraw/zinc/62/28/11/605622811.db2.gz YHTISEWUSZNCLO-AWEZNQCLSA-N -1 0 330.409 3.790 20 0 EHADRM Cc1cc(C(=O)NCCc2ccc(Cl)s2)ccc1NC(=O)[O-] ZINC000829950159 605622971 /nfs/dbraw/zinc/62/29/71/605622971.db2.gz HGYKMUJTGWBGKD-UHFFFAOYSA-N -1 0 338.816 3.772 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCC[C@H]2c2cccs2)c(O)c1 ZINC000834254308 605628406 /nfs/dbraw/zinc/62/84/06/605628406.db2.gz CCOFQUCAONIKBR-LBPRGKRZSA-N -1 0 332.381 3.521 20 0 EHADRM Cc1nc(C(C)C)sc1[C@H](C)OC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000833912893 605667304 /nfs/dbraw/zinc/66/73/04/605667304.db2.gz QYUPQCITKNHZSL-TUAOUCFPSA-N -1 0 340.445 3.615 20 0 EHADRM C[C@H](OC(=O)c1ccc([C@H]2CCCOC2)cc1)c1ccc(C(=O)[O-])o1 ZINC000833532653 605673429 /nfs/dbraw/zinc/67/34/29/605673429.db2.gz RQIWMNVPDVKIEI-WFASDCNBSA-N -1 0 344.363 3.790 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000740046871 605677190 /nfs/dbraw/zinc/67/71/90/605677190.db2.gz RYGXCEWHJLFHGB-ZJUUUORDSA-N -1 0 330.306 3.627 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(NC(=O)[O-])c(C)c2)o1 ZINC000830281108 605693741 /nfs/dbraw/zinc/69/37/41/605693741.db2.gz DCYDIXBTVKBOOH-HNNXBMFYSA-N -1 0 328.368 3.964 20 0 EHADRM O=C([O-])NC1(c2noc(C3(Cc4ccc(Cl)cc4)CC3)n2)CCC1 ZINC000834156640 605700060 /nfs/dbraw/zinc/70/00/60/605700060.db2.gz BKGRYDXEIQBDGE-UHFFFAOYSA-N -1 0 347.802 3.644 20 0 EHADRM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000833606818 605709886 /nfs/dbraw/zinc/70/98/86/605709886.db2.gz WKICYDWILKMNDU-BDAKNGLRSA-N -1 0 348.296 3.719 20 0 EHADRM Cc1cc(C(=O)NC[C@@H](c2cccnc2)C(C)C)ccc1NC(=O)[O-] ZINC000829944466 605709854 /nfs/dbraw/zinc/70/98/54/605709854.db2.gz BZQLESDOWNGAQD-MRXNPFEDSA-N -1 0 341.411 3.650 20 0 EHADRM O=C([O-])N1CCCCC[C@H]1c1noc(C2CCC(F)(F)CC2)n1 ZINC000834108280 605720838 /nfs/dbraw/zinc/72/08/38/605720838.db2.gz NIVPLZMONMCUJD-NSHDSACASA-N -1 0 329.347 3.958 20 0 EHADRM CC(C)CCO[C@H](C)c1nc([C@@H]2CCCCCN2C(=O)[O-])no1 ZINC000833794536 605721572 /nfs/dbraw/zinc/72/15/72/605721572.db2.gz PDMKJBSOXWJSIT-OLZOCXBDSA-N -1 0 325.409 3.788 20 0 EHADRM CCOc1ccc(CCC2CCN(C(=O)CCCC(=O)[O-])CC2)cc1 ZINC000833664666 605760828 /nfs/dbraw/zinc/76/08/28/605760828.db2.gz WBQYESXPRCLBHX-UHFFFAOYSA-N -1 0 347.455 3.511 20 0 EHADRM CCc1nc(NCc2ccc(Br)cc2)sc1C(=O)[O-] ZINC000721321989 605780635 /nfs/dbraw/zinc/78/06/35/605780635.db2.gz KVOFRKZOQCHSJD-UHFFFAOYSA-N -1 0 341.230 3.778 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)Nc2ccc3scnc3c2)c1 ZINC000834266320 605803407 /nfs/dbraw/zinc/80/34/07/605803407.db2.gz NSOOWFVLULZZBQ-UHFFFAOYSA-N -1 0 327.365 3.567 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)Nc2ccccc2Br)c1 ZINC000834266306 605810069 /nfs/dbraw/zinc/81/00/69/605810069.db2.gz NNEADLMRFNWLRS-UHFFFAOYSA-N -1 0 349.184 3.720 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)Oc2ccccc2OC(F)F)c1 ZINC000834268058 605814329 /nfs/dbraw/zinc/81/43/29/605814329.db2.gz BYCIBRDCVVLDJP-UHFFFAOYSA-N -1 0 337.278 3.526 20 0 EHADRM CCCN(C(=O)c1ccc(C(F)F)cc1)C1CCN(C(=O)[O-])CC1 ZINC000826884661 605820773 /nfs/dbraw/zinc/82/07/73/605820773.db2.gz TUQJAYIJOCRZCF-UHFFFAOYSA-N -1 0 340.370 3.619 20 0 EHADRM C[C@@H](C(=O)Nc1cccc2c1CCN2C(=O)[O-])c1c(F)cccc1F ZINC000833789217 605841282 /nfs/dbraw/zinc/84/12/82/605841282.db2.gz HRUHWNMKTQCOFA-SNVBAGLBSA-N -1 0 346.333 3.748 20 0 EHADRM CN(Cc1cc(F)c(F)c(F)c1)Cc1cc(C(=O)[O-])ccc1F ZINC000833694485 605847887 /nfs/dbraw/zinc/84/78/87/605847887.db2.gz UEWUQLLCBCBTOW-UHFFFAOYSA-N -1 0 327.277 3.573 20 0 EHADRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)c1sccc1-c1ccccc1 ZINC000825846442 605854210 /nfs/dbraw/zinc/85/42/10/605854210.db2.gz UWFZEAYEGSAQNA-TZMCWYRMSA-N -1 0 344.436 3.676 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)c1sccc1-c1ccccc1 ZINC000825846441 605854331 /nfs/dbraw/zinc/85/43/31/605854331.db2.gz UWFZEAYEGSAQNA-OCCSQVGLSA-N -1 0 344.436 3.676 20 0 EHADRM CC(C)c1ccccc1NC(=O)N(C1CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000824476630 605875376 /nfs/dbraw/zinc/87/53/76/605875376.db2.gz PGENPBFGZFBLAK-CQSZACIVSA-N -1 0 331.416 3.559 20 0 EHADRM O=C([O-])NCCCCC(=O)Nc1cccc(C2SCCS2)c1 ZINC000834234676 605888676 /nfs/dbraw/zinc/88/86/76/605888676.db2.gz HVQMIRPMHLBPMX-UHFFFAOYSA-N -1 0 340.470 3.542 20 0 EHADRM Cc1noc(C)c1[C@H](C)Cc1nc(-c2cccc(NC(=O)[O-])c2)no1 ZINC000833929236 605992472 /nfs/dbraw/zinc/99/24/72/605992472.db2.gz LLPZFHXEKBMSLV-SECBINFHSA-N -1 0 342.355 3.778 20 0 EHADRM Cc1noc(C)c1[C@H](C)CC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000833929768 605993734 /nfs/dbraw/zinc/99/37/34/605993734.db2.gz NUONZXJUBRQNNR-MRVPVSSYSA-N -1 0 335.335 3.653 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)CCCc3ccsc3)ccc21 ZINC000833991861 606002246 /nfs/dbraw/zinc/00/22/46/606002246.db2.gz QFUJSISFLBQWPH-UHFFFAOYSA-N -1 0 330.409 3.750 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)c1ccc(-n2cccc2)nc1 ZINC000833905810 606005318 /nfs/dbraw/zinc/00/53/18/606005318.db2.gz CCDJFRUXONKXOQ-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NC[C@H]1Cc2ccccc21 ZINC000833906768 606010985 /nfs/dbraw/zinc/01/09/85/606010985.db2.gz LECSAWIXOWSXOS-CYBMUJFWSA-N -1 0 325.368 3.546 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCC1Cc2ccccc2C1 ZINC000833906815 606012420 /nfs/dbraw/zinc/01/24/20/606012420.db2.gz NBPPXMBKHYRFEV-UHFFFAOYSA-N -1 0 339.395 3.621 20 0 EHADRM O=C([O-])Nc1cccc(CCCOC(=O)C2(C(F)(F)F)CC2)c1 ZINC000834269431 606023246 /nfs/dbraw/zinc/02/32/46/606023246.db2.gz YPGRXBVUAPUWJI-UHFFFAOYSA-N -1 0 331.290 3.595 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)[C@H](c2ccccc2)C2CC2)cc1 ZINC000834258665 606069172 /nfs/dbraw/zinc/06/91/72/606069172.db2.gz JIPMUXIZPSGCKU-GOSISDBHSA-N -1 0 338.407 3.629 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)OCCOc1ccccc1Cl ZINC000834274186 606089710 /nfs/dbraw/zinc/08/97/10/606089710.db2.gz FVZKJAQGECSPRZ-UHFFFAOYSA-N -1 0 349.770 3.595 20 0 EHADRM Cc1ccc(F)c(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)c1 ZINC000191488270 939038673 /nfs/dbraw/zinc/03/86/73/939038673.db2.gz MCJUMXDCFGOVGA-GOSISDBHSA-N -1 0 337.350 3.843 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)NC1(C(=O)[O-])CCC(C)CC1 ZINC000236679957 939044189 /nfs/dbraw/zinc/04/41/89/939044189.db2.gz BQGJYTIEBNVXHE-SHYRYGCCSA-N -1 0 335.419 3.544 20 0 EHADRM CC(C)CCOc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000236782930 939044286 /nfs/dbraw/zinc/04/42/86/939044286.db2.gz SJNBEYMMURZHSL-SFHVURJKSA-N -1 0 341.407 3.667 20 0 EHADRM CC(C)c1ccc(NC(=O)N[C@]2(C(=O)[O-])CCc3ccccc32)cc1 ZINC000684745784 939048154 /nfs/dbraw/zinc/04/81/54/939048154.db2.gz RQXTVPREMLOGTN-HXUWFJFHSA-N -1 0 338.407 3.858 20 0 EHADRM CC[C@](NC(=O)[C@@H]1C[C@H]1c1sccc1C)(C(=O)[O-])c1ccccc1 ZINC000262072621 939059436 /nfs/dbraw/zinc/05/94/36/939059436.db2.gz DDWYFNVUMDRTAT-SPYBWZPUSA-N -1 0 343.448 3.666 20 0 EHADRM O=C([O-])C1(NC(=O)c2cc3cc(Cl)ccc3o2)CCCCCC1 ZINC000746365765 939061581 /nfs/dbraw/zinc/06/15/81/939061581.db2.gz NPSQRQLSOQLQCL-UHFFFAOYSA-N -1 0 335.787 3.994 20 0 EHADRM O=C(/C=C\c1nc2ccccc2s1)NC1(C(=O)[O-])CCCCCC1 ZINC000746366345 939061889 /nfs/dbraw/zinc/06/18/89/939061889.db2.gz PXNRPVLDXKRIMT-KTKRTIGZSA-N -1 0 344.436 3.603 20 0 EHADRM C/C(=C\c1ccccc1Cl)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000761592335 939067759 /nfs/dbraw/zinc/06/77/59/939067759.db2.gz DSRFQZXGWPALBX-HYSAVQALSA-N -1 0 343.810 3.860 20 0 EHADRM C/C(=C/c1cccc(Cl)c1)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000761591775 939067844 /nfs/dbraw/zinc/06/78/44/939067844.db2.gz BSCBCDLGKYNYEW-QXFGJRORSA-N -1 0 343.810 3.860 20 0 EHADRM C[C@H](CC(=O)N[C@](C)(C(=O)[O-])c1ccc(F)cc1)c1cccc(F)c1 ZINC000263158307 939105513 /nfs/dbraw/zinc/10/55/13/939105513.db2.gz JNIPLXLUXBVPSA-BLVKFPJESA-N -1 0 347.361 3.575 20 0 EHADRM COc1ccc([C@H](NC(=O)CC[C@H](C)c2ccccc2)C(=O)[O-])cc1 ZINC000263537408 939115114 /nfs/dbraw/zinc/11/51/14/939115114.db2.gz PGISORZBNXNDGL-LIRRHRJNSA-N -1 0 341.407 3.521 20 0 EHADRM CCCCOc1ccc(NC(=O)NC2(C(=O)[O-])CCCC2)c(C)c1 ZINC000780458260 939125002 /nfs/dbraw/zinc/12/50/02/939125002.db2.gz DDPRLTZLMJAKTL-UHFFFAOYSA-N -1 0 334.416 3.693 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000324580069 939126133 /nfs/dbraw/zinc/12/61/33/939126133.db2.gz ZPWIWWFRKGTHRF-FQEVSTJZSA-N -1 0 325.408 3.714 20 0 EHADRM Cc1ccc(SCCC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000324472791 939126167 /nfs/dbraw/zinc/12/61/67/939126167.db2.gz HKDFFHFHPDZYRB-LJQANCHMSA-N -1 0 343.448 3.593 20 0 EHADRM O=C([O-])[C@@H](NC(=O)NCc1cccc2ccccc21)c1cccs1 ZINC000325448445 939126818 /nfs/dbraw/zinc/12/68/18/939126818.db2.gz WUZDKSXBEACBFV-INIZCTEOSA-N -1 0 340.404 3.526 20 0 EHADRM O=C([O-])C1(NC(=O)CC2(CCc3ccccc3)CCCC2)CCC1 ZINC000345799482 939128430 /nfs/dbraw/zinc/12/84/30/939128430.db2.gz ZXROWTMWSKZISM-UHFFFAOYSA-N -1 0 329.440 3.693 20 0 EHADRM C[C@](NC(=O)c1ccc(Cl)c(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC000385814244 939132851 /nfs/dbraw/zinc/13/28/51/939132851.db2.gz SJISZVFPXKWERN-MRXNPFEDSA-N -1 0 338.190 3.723 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000425245098 939141638 /nfs/dbraw/zinc/14/16/38/939141638.db2.gz TYEJVGJTELVCHV-BBRMVZONSA-N -1 0 331.437 3.567 20 0 EHADRM CC[C@](NC(=O)C=C(C1CC1)C1CC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000795539764 939156569 /nfs/dbraw/zinc/15/65/69/939156569.db2.gz KIFQASKBQOQZNR-LJQANCHMSA-N -1 0 347.842 3.893 20 0 EHADRM Cc1cccc(C)c1CC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000439918979 939203770 /nfs/dbraw/zinc/20/37/70/939203770.db2.gz LBOREMTVMQORBY-QGZVFWFLSA-N -1 0 349.789 3.581 20 0 EHADRM CCC[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(OC(F)F)cc1)C(C)C ZINC000450514434 939207697 /nfs/dbraw/zinc/20/76/97/939207697.db2.gz ZWWJYMVYFUQUFI-ZIAGYGMSSA-N -1 0 343.370 3.602 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2ccc(-c3cccc(F)c3)c(F)c2)CCC1 ZINC000797748915 939209372 /nfs/dbraw/zinc/20/93/72/939209372.db2.gz SDGJKLGIXUNBHG-UHFFFAOYSA-N -1 0 346.333 3.761 20 0 EHADRM Cc1cccc([C@@H](NC(=O)[C@@H]2CCCc3sccc32)C(=O)[O-])c1C ZINC000455936261 939215448 /nfs/dbraw/zinc/21/54/48/939215448.db2.gz UHBFMPYUDOCHAJ-NVXWUHKLSA-N -1 0 343.448 3.727 20 0 EHADRM CCC[C@H](C)CC(=O)N[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000485202725 939218894 /nfs/dbraw/zinc/21/88/94/939218894.db2.gz BDVFHSYKXYUAEP-HZMBPMFUSA-N -1 0 342.233 3.517 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@H](C(=O)[O-])C3CCCC3)c2)[nH]c1C ZINC000852951238 939240275 /nfs/dbraw/zinc/24/02/75/939240275.db2.gz PNNKMGLDHWGEFX-MRXNPFEDSA-N -1 0 341.411 3.523 20 0 EHADRM CSCCCCCCC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000864114711 939246645 /nfs/dbraw/zinc/24/66/45/939246645.db2.gz CBAOPUHLEFBQNJ-HNNXBMFYSA-N -1 0 345.411 3.520 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccsc1 ZINC000520351264 939254699 /nfs/dbraw/zinc/25/46/99/939254699.db2.gz QKBMGFXPFUDDGY-NSHDSACASA-N -1 0 344.314 3.714 20 0 EHADRM CSc1ccc(Cl)c(NC(=O)NC2(C(=O)[O-])CCCC2)c1 ZINC000900349469 939278800 /nfs/dbraw/zinc/27/88/00/939278800.db2.gz QWDIUAUGEXASNQ-UHFFFAOYSA-N -1 0 328.821 3.581 20 0 EHADRM O=C([O-])C1(NC(=O)c2cc(C(F)F)ccc2F)CCCCCC1 ZINC000901999494 939282332 /nfs/dbraw/zinc/28/23/32/939282332.db2.gz RMWKZBXVYJYJTE-UHFFFAOYSA-N -1 0 329.318 3.671 20 0 EHADRM Cc1cc(C)cc([C@@H](C)NC(=O)N[C@H](C(=O)[O-])c2ccsc2)c1 ZINC000562430007 939326139 /nfs/dbraw/zinc/32/61/39/939326139.db2.gz JDBFVBRBKKWWTM-DOMZBBRYSA-N -1 0 332.425 3.551 20 0 EHADRM CSCc1ccc(NC(=O)NC2(C(=O)[O-])CCCCCC2)cc1 ZINC000563772891 939340438 /nfs/dbraw/zinc/34/04/38/939340438.db2.gz NLMLBRIZXKPWJV-UHFFFAOYSA-N -1 0 336.457 3.849 20 0 EHADRM Cc1ccc([C@@H](NC(=O)CC2CC(OC(C)(C)C)C2)C(=O)[O-])cc1C ZINC000909698120 939726915 /nfs/dbraw/zinc/72/69/15/939726915.db2.gz YDUZMAVVTYHFAZ-JFUPDXTOSA-N -1 0 347.455 3.529 20 0 EHADRM CC1(C)C[C@H](NC(=O)N[C@H](C(=O)[O-])c2ccsc2)c2ccccc21 ZINC000576063436 939736642 /nfs/dbraw/zinc/73/66/42/939736642.db2.gz UBDHWICFHQPMSN-GJZGRUSLSA-N -1 0 344.436 3.596 20 0 EHADRM Cc1cc(C)cc([C@H](NC(=O)Nc2ccccc2Cl)C(=O)[O-])c1 ZINC000577930026 939750099 /nfs/dbraw/zinc/75/00/99/939750099.db2.gz LPSNRSNSVMXLEO-HNNXBMFYSA-N -1 0 332.787 3.904 20 0 EHADRM O=C([O-])[C@H](NC(=O)C[C@@H]1CCCc2ccccc21)c1ccsc1 ZINC000581381618 939777464 /nfs/dbraw/zinc/77/74/64/939777464.db2.gz PHIWDFMZGJDAJT-SUMWQHHRSA-N -1 0 329.421 3.500 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2ccc(OCC3CCCCC3)cc2)CCC1 ZINC000581466742 939778292 /nfs/dbraw/zinc/77/82/92/939778292.db2.gz PNHDLGHJBBSLSA-UHFFFAOYSA-N -1 0 346.427 3.775 20 0 EHADRM Cc1cc(C)cc([C@@H](NC(=O)Nc2ccc(C)c(C)c2)C(=O)[O-])c1 ZINC000581525782 939778341 /nfs/dbraw/zinc/77/83/41/939778341.db2.gz BJQYBAVGWJELCX-QGZVFWFLSA-N -1 0 326.396 3.868 20 0 EHADRM CSc1ccc(NC(=O)N[C@H](C(=O)[O-])c2cccc(C)c2C)cc1 ZINC000581981471 939781535 /nfs/dbraw/zinc/78/15/35/939781535.db2.gz ORWIWTMNKDXSJA-INIZCTEOSA-N -1 0 344.436 3.973 20 0 EHADRM CCc1ccc(CNC(=O)N[C@H](C(=O)[O-])c2ccc(C)c(C)c2)s1 ZINC000584757424 939799613 /nfs/dbraw/zinc/79/96/13/939799613.db2.gz XTSYGHMQYUBPAW-INIZCTEOSA-N -1 0 346.452 3.552 20 0 EHADRM CC[C@](NC(=O)c1oc(C(F)F)cc1C)(C(=O)[O-])c1ccccc1 ZINC000630127631 939811982 /nfs/dbraw/zinc/81/19/82/939811982.db2.gz UGOYLDNYCUOTQP-QGZVFWFLSA-N -1 0 337.322 3.646 20 0 EHADRM Cc1cc(C(F)F)oc1C(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC000630247185 939819926 /nfs/dbraw/zinc/81/99/26/939819926.db2.gz FFCKDVWWGQYKEV-MRXNPFEDSA-N -1 0 329.343 3.679 20 0 EHADRM CC[C@H](C)c1cccc(NC(=O)NC2(C(=O)[O-])CCSCC2)c1 ZINC000630548416 939824033 /nfs/dbraw/zinc/82/40/33/939824033.db2.gz BERWEFGRSYODBT-LBPRGKRZSA-N -1 0 336.457 3.672 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc(OC2CCCC2)cc1)c1cccs1 ZINC000648334374 939832009 /nfs/dbraw/zinc/83/20/09/939832009.db2.gz FBYAHQJAEWMNMI-MRXNPFEDSA-N -1 0 345.420 3.625 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1)c1cccs1 ZINC000659150791 939847818 /nfs/dbraw/zinc/84/78/18/939847818.db2.gz DVRHMRLXCDHRSM-HLLBOEOZSA-N -1 0 343.448 3.649 20 0 EHADRM CC(C)Oc1ccccc1[C@H](C)NC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC000663083190 939853519 /nfs/dbraw/zinc/85/35/19/939853519.db2.gz JFMYNSHWPNBHGH-SUMWQHHRSA-N -1 0 333.428 3.542 20 0 EHADRM CC[C@@H](CC(=O)N[C@]1(C(=O)[O-])CCc2ccccc21)c1ccccc1 ZINC000675991186 939867607 /nfs/dbraw/zinc/86/76/07/939867607.db2.gz MWCCEDWDNCIOHA-YCRPNKLZSA-N -1 0 337.419 3.613 20 0 EHADRM CC(C)Sc1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000678978005 939868249 /nfs/dbraw/zinc/86/82/49/939868249.db2.gz SOLYJKOVDUPYLQ-LJQANCHMSA-N -1 0 343.448 3.917 20 0 EHADRM Cc1cc(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)c(Cl)cc1F ZINC000678977969 939868290 /nfs/dbraw/zinc/86/82/90/939868290.db2.gz QYTRWESPHLCSOP-KRWDZBQOSA-N -1 0 335.762 3.517 20 0 EHADRM CC(C)Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000678984478 939868697 /nfs/dbraw/zinc/86/86/97/939868697.db2.gz AKZBIYYRFWOEQZ-QGZVFWFLSA-N -1 0 329.371 3.580 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC000683319671 939871013 /nfs/dbraw/zinc/87/10/13/939871013.db2.gz RMJCSVOGDHOHEI-BDJLRTHQSA-N -1 0 349.789 3.600 20 0 EHADRM Cc1ccc(NC(=O)NCCc2ccccc2C(=O)[O-])c(Cl)c1 ZINC000321412033 970769449 /nfs/dbraw/zinc/76/94/49/970769449.db2.gz KVCKIVFMFDBHGU-UHFFFAOYSA-N -1 0 332.787 3.711 20 0 EHADRM Cc1cccc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)c1Cl ZINC000321469047 970774129 /nfs/dbraw/zinc/77/41/29/970774129.db2.gz AAFCKCCANLHPGC-ZDUSSCGKSA-N -1 0 329.783 3.867 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1ccsc1 ZINC000322335569 970873892 /nfs/dbraw/zinc/87/38/92/970873892.db2.gz QDVJDYJWDUKUKC-LLVKDONJSA-N -1 0 332.425 3.993 20 0 EHADRM O=C([O-])Cc1occc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000322430406 970886218 /nfs/dbraw/zinc/88/62/18/970886218.db2.gz XQAGGLXRTXHZML-UHFFFAOYSA-N -1 0 347.676 3.831 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2ccc3ncsc3c2)CCCCC1 ZINC000322871965 970937248 /nfs/dbraw/zinc/93/72/48/970937248.db2.gz QKCGHILWHIVSMP-UHFFFAOYSA-N -1 0 333.413 3.595 20 0 EHADRM C[C@H]1CCc2c(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)csc2C1 ZINC000323054227 970961926 /nfs/dbraw/zinc/96/19/26/970961926.db2.gz HONNNEWGFWPMNU-VIFPVBQESA-N -1 0 333.384 3.963 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1cc(Cl)nc2ccccc21 ZINC000323222230 970979291 /nfs/dbraw/zinc/97/92/91/970979291.db2.gz MFSSSUPTJPADQH-UHFFFAOYSA-N -1 0 334.803 3.653 20 0 EHADRM COc1cc(NC(=O)N(C)[C@@H](C)c2cccs2)ccc1C(=O)[O-] ZINC000323256879 970982019 /nfs/dbraw/zinc/98/20/19/970982019.db2.gz AUEWKTBVNRIDIA-JTQLQIEISA-N -1 0 334.397 3.680 20 0 EHADRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1C[C@@H]1c1ccccc1 ZINC000323270810 970984557 /nfs/dbraw/zinc/98/45/57/970984557.db2.gz FYXBCILLROBAHH-RISCZKNCSA-N -1 0 332.743 3.914 20 0 EHADRM CCc1ccc(NC(=O)CSc2ccc(F)cc2)c(C(=O)[O-])c1 ZINC000323296966 970987236 /nfs/dbraw/zinc/98/72/36/970987236.db2.gz AIRPHAQKGUFFLA-UHFFFAOYSA-N -1 0 333.384 3.817 20 0 EHADRM CCC(CC)N(CC(C)C)S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000323451885 971005400 /nfs/dbraw/zinc/00/54/00/971005400.db2.gz FNTIFGZGSIFKLN-UHFFFAOYSA-N -1 0 341.473 3.529 20 0 EHADRM CCOc1ccccc1CCC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000323912504 971055674 /nfs/dbraw/zinc/05/56/74/971055674.db2.gz SCUMEIJONPHZSS-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM CC(C)c1ccccc1OCC(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000323904678 971056124 /nfs/dbraw/zinc/05/61/24/971056124.db2.gz QKJAYXGBDJDJHV-UHFFFAOYSA-N -1 0 331.343 3.665 20 0 EHADRM C[C@@H](c1cccs1)N(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000323972799 971068578 /nfs/dbraw/zinc/06/85/78/971068578.db2.gz IRONBAHHQVCZPE-QMMMGPOBSA-N -1 0 340.351 3.949 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](c2nc(Cc3cccc(Cl)c3F)no2)C1 ZINC000323982585 971070207 /nfs/dbraw/zinc/07/02/07/971070207.db2.gz YRWUYSUVKRMPCK-QWRGUYRKSA-N -1 0 338.766 3.811 20 0 EHADRM Cc1ccccc1N(CCC(=O)[O-])C(=O)CSc1ccc(F)cc1 ZINC000324075998 971081566 /nfs/dbraw/zinc/08/15/66/971081566.db2.gz ALCNSMQZHUYXEJ-UHFFFAOYSA-N -1 0 347.411 3.734 20 0 EHADRM CCC1(CC)CCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000324132184 971087458 /nfs/dbraw/zinc/08/74/58/971087458.db2.gz SLRADXYIELZKDB-UHFFFAOYSA-N -1 0 326.343 3.707 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(Cc2ncc(C3CC3)o2)CC1 ZINC001611560100 971105726 /nfs/dbraw/zinc/10/57/26/971105726.db2.gz FDGGYNQUYQWSMO-UHFFFAOYSA-N -1 0 326.396 3.630 20 0 EHADRM C[C@H](NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccccc1Cl ZINC000324373746 971113272 /nfs/dbraw/zinc/11/32/72/971113272.db2.gz JYUKFJPLSMYKDX-LBPRGKRZSA-N -1 0 346.814 3.941 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(F)c(C(F)(F)F)c1)C1CCCCC1 ZINC000324389850 971116232 /nfs/dbraw/zinc/11/62/32/971116232.db2.gz NEJJZZIPMGGQJC-ZDUSSCGKSA-N -1 0 347.308 3.608 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2cc(C(=O)[O-])ccc2F)o1 ZINC000324581216 971134965 /nfs/dbraw/zinc/13/49/65/971134965.db2.gz AULNOSAWPMRGMB-ZWNOBZJWSA-N -1 0 331.343 3.812 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)/C=C\c1ccc(Cl)cc1)CC2 ZINC000325346363 971206635 /nfs/dbraw/zinc/20/66/35/971206635.db2.gz JYIAHXUWQYHMLR-BAQGIRSFSA-N -1 0 341.794 3.636 20 0 EHADRM COc1ccc(NC(=O)c2csc3c2CC[C@H](C)C3)c(C(=O)[O-])c1 ZINC000325404796 971212406 /nfs/dbraw/zinc/21/24/06/971212406.db2.gz IEXXHYVALUDQMB-JTQLQIEISA-N -1 0 345.420 3.832 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)c2ccccc2C(F)(F)F)cc1F ZINC000325448857 971217288 /nfs/dbraw/zinc/21/72/88/971217288.db2.gz NTFDBVIHWYQGBW-UHFFFAOYSA-N -1 0 345.223 3.934 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)NC2(CC(=O)[O-])CCCC2)c1 ZINC000325704377 971237148 /nfs/dbraw/zinc/23/71/48/971237148.db2.gz QYRBIYBCWWEQOP-CYBMUJFWSA-N -1 0 334.416 3.773 20 0 EHADRM Cc1cc(C)c(NC(=O)COc2ccc(C(=O)[O-])c(C)c2)c(C)c1 ZINC000325860317 971249944 /nfs/dbraw/zinc/24/99/44/971249944.db2.gz DRFOZYNIWGPKBJ-UHFFFAOYSA-N -1 0 327.380 3.636 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCSc2ccccc2)c2ccccc21 ZINC000325895622 971253313 /nfs/dbraw/zinc/25/33/13/971253313.db2.gz UYSUINYTXKVONP-MRXNPFEDSA-N -1 0 341.432 3.774 20 0 EHADRM CCc1cc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cc(Cl)n1 ZINC000326242535 971276192 /nfs/dbraw/zinc/27/61/92/971276192.db2.gz YBDCTUSNFAYUOY-GFCCVEGCSA-N -1 0 344.798 3.516 20 0 EHADRM C[C@H](CCc1ccccc1)NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000326669711 971315309 /nfs/dbraw/zinc/31/53/09/971315309.db2.gz KDVVLXLIBQPBON-OAHLLOKOSA-N -1 0 340.423 3.548 20 0 EHADRM C[C@@H](CCc1ccccc1)NC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000326855735 971335725 /nfs/dbraw/zinc/33/57/25/971335725.db2.gz RSKFFXBAEJSAJN-DOTOQJQBSA-N -1 0 346.471 3.540 20 0 EHADRM COc1cc(NC(=O)N[C@@H](C)c2ccc(C)cc2)ccc1C(=O)[O-] ZINC000327018530 971356504 /nfs/dbraw/zinc/35/65/04/971356504.db2.gz ZWYDGFGEAFHPTE-LBPRGKRZSA-N -1 0 328.368 3.585 20 0 EHADRM Cc1cccc(C)c1OCCC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000327018454 971356509 /nfs/dbraw/zinc/35/65/09/971356509.db2.gz HXVIONZMXIVXCQ-UHFFFAOYSA-N -1 0 341.407 3.728 20 0 EHADRM O=C([O-])[C@@H]1CCN(Cc2ncc(-c3ccccc3)o2)c2ccccc21 ZINC000327021910 971357571 /nfs/dbraw/zinc/35/75/71/971357571.db2.gz IQUGQMHUCOUXBB-MRXNPFEDSA-N -1 0 334.375 3.920 20 0 EHADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000327202717 971376368 /nfs/dbraw/zinc/37/63/68/971376368.db2.gz PAQJHJBKDXRKAT-ZFWWWQNUSA-N -1 0 340.379 3.806 20 0 EHADRM COc1ccc(/C=C/C(=O)N(CCC(=O)[O-])c2ccccc2C)cc1 ZINC000327404088 971396852 /nfs/dbraw/zinc/39/68/52/971396852.db2.gz VUNOGKUGQVBVJH-FMIVXFBMSA-N -1 0 339.391 3.525 20 0 EHADRM CC(C)[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc21)C(=O)[O-] ZINC000005835200 948769918 /nfs/dbraw/zinc/76/99/18/948769918.db2.gz CDJUKEOGZXEGIP-IBGZPJMESA-N -1 0 348.402 3.741 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000013091867 948776333 /nfs/dbraw/zinc/77/63/33/948776333.db2.gz YHQCJAAAZBOHBQ-UHFFFAOYSA-N -1 0 338.190 3.551 20 0 EHADRM CCC(F)(F)c1ccccc1NC(=O)NCC1(C(=O)[O-])CCC1 ZINC001589561598 948820189 /nfs/dbraw/zinc/82/01/89/948820189.db2.gz AEKURXKFUZWGMV-UHFFFAOYSA-N -1 0 326.343 3.565 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC001589562087 948827667 /nfs/dbraw/zinc/82/76/67/948827667.db2.gz PFKCETCCLAIHOS-YJBOKZPZSA-N -1 0 325.408 3.506 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2ccc(Br)c(F)c2)c1 ZINC000043576078 948890831 /nfs/dbraw/zinc/89/08/31/948890831.db2.gz NDFGYIJGXYGARD-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1ccc2c(c1)CCC2)C(=O)[O-] ZINC000345806920 971519924 /nfs/dbraw/zinc/51/99/24/971519924.db2.gz OITFLCPURLCLMY-HNNXBMFYSA-N -1 0 337.419 3.538 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000347336290 971523976 /nfs/dbraw/zinc/52/39/76/971523976.db2.gz BUFXGDZDOIVAKA-QGZVFWFLSA-N -1 0 349.386 3.874 20 0 EHADRM O=C([O-])CCC(=O)Nc1cccc(-c2ccc(Br)cc2)c1 ZINC000348999110 971527123 /nfs/dbraw/zinc/52/71/23/971527123.db2.gz WUUUKBHTGQEHDJ-UHFFFAOYSA-N -1 0 348.196 3.919 20 0 EHADRM CSc1ccc(C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)cc1 ZINC000348014461 971527585 /nfs/dbraw/zinc/52/75/85/971527585.db2.gz ZTBMSJIQAJACGF-UHFFFAOYSA-N -1 0 349.839 3.789 20 0 EHADRM COCc1c2ccccc2oc1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000351934246 971528493 /nfs/dbraw/zinc/52/84/93/971528493.db2.gz GTZAHNAKDFXZMT-UHFFFAOYSA-N -1 0 325.320 3.530 20 0 EHADRM Cc1ccc(CNC(=O)c2cc(C(=O)[O-])co2)c(OCCC(C)C)c1 ZINC000352409490 971528731 /nfs/dbraw/zinc/52/87/31/971528731.db2.gz KIYTXZSZVHFRGR-UHFFFAOYSA-N -1 0 345.395 3.641 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC001589584653 949031567 /nfs/dbraw/zinc/03/15/67/949031567.db2.gz KNURKJKSTSJURO-LPHOPBHVSA-N -1 0 343.448 3.674 20 0 EHADRM Cc1oc(CNC(=O)c2ccccc2Cc2ccccc2)cc1C(=O)[O-] ZINC000362586239 971535821 /nfs/dbraw/zinc/53/58/21/971535821.db2.gz AIIZWGKWIFHPRL-UHFFFAOYSA-N -1 0 349.386 3.807 20 0 EHADRM Cc1oc(CN(C)C(=O)c2c(Cl)cccc2Cl)cc1C(=O)[O-] ZINC000362751466 971537092 /nfs/dbraw/zinc/53/70/92/971537092.db2.gz GSRIHQGMZQFKLR-UHFFFAOYSA-N -1 0 342.178 3.865 20 0 EHADRM Cc1ccc(-c2cccnc2)cc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000370552807 971554487 /nfs/dbraw/zinc/55/44/87/971554487.db2.gz XXOULRLDVJDMQP-UHFFFAOYSA-N -1 0 326.396 3.887 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2[nH]c3ccccc3c2Cl)C1 ZINC001589597867 949178226 /nfs/dbraw/zinc/17/82/26/949178226.db2.gz INHHNUJWSQBSMY-KRWDZBQOSA-N -1 0 334.803 3.538 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cccc(C)c2C(F)(F)F)C1 ZINC001589603200 949204275 /nfs/dbraw/zinc/20/42/75/949204275.db2.gz IUKUYLMXUSPYDD-MRXNPFEDSA-N -1 0 343.345 3.731 20 0 EHADRM Cc1cc(Cl)c(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1Cl ZINC000128399490 949274575 /nfs/dbraw/zinc/27/45/75/949274575.db2.gz OHCIBCPAXLYRME-BDAKNGLRSA-N -1 0 331.199 3.677 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cscc2Br)cc1 ZINC001595233704 949376519 /nfs/dbraw/zinc/37/65/19/949376519.db2.gz KPUFCPFBQFFELO-UHFFFAOYSA-N -1 0 341.182 3.566 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H](Oc2ccccc2)c2ccccc2)nc1 ZINC001595236239 949407530 /nfs/dbraw/zinc/40/75/30/949407530.db2.gz QTBUFGFPTHSVCZ-SFHVURJKSA-N -1 0 348.358 3.539 20 0 EHADRM O=C([O-])c1cccc(CSc2n[nH]c(-c3ccccc3F)n2)c1 ZINC001595248226 949517139 /nfs/dbraw/zinc/51/71/39/949517139.db2.gz HFLZPLHELJIXLB-UHFFFAOYSA-N -1 0 329.356 3.601 20 0 EHADRM O=C([O-])CC1(NC(=O)/C=C\c2cc(Cl)cc(Cl)c2)CCC1 ZINC000211109485 949529449 /nfs/dbraw/zinc/52/94/49/949529449.db2.gz TXRDCUPECSNQRG-IHWYPQMZSA-N -1 0 328.195 3.520 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N2CCc3sc(Cl)cc3C2)c1 ZINC001595249658 949543593 /nfs/dbraw/zinc/54/35/93/949543593.db2.gz KGOBYMOJEOALEM-UHFFFAOYSA-N -1 0 336.800 3.690 20 0 EHADRM O=C([O-])c1cccc(NCc2ccnc(Oc3ccccc3F)c2)n1 ZINC001595251703 949563170 /nfs/dbraw/zinc/56/31/70/949563170.db2.gz SFMOHRKIACSFHU-UHFFFAOYSA-N -1 0 339.326 3.718 20 0 EHADRM CCCCC1CCC(CNC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC001589639542 949663114 /nfs/dbraw/zinc/66/31/14/949663114.db2.gz AIXQVRQEMGGCMZ-ZGRYLRDCSA-N -1 0 338.492 3.735 20 0 EHADRM CCCCC[C@H](NC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1)C(C)(C)C ZINC001589641862 949699069 /nfs/dbraw/zinc/69/90/69/949699069.db2.gz CVAHYUKCGREXRP-ZNMIVQPWSA-N -1 0 326.481 3.734 20 0 EHADRM CCCCCCN(Cc1ccco1)C(=O)c1ccc(C(=O)[O-])nc1 ZINC001589645632 949729511 /nfs/dbraw/zinc/72/95/11/949729511.db2.gz LKZANXYNXJXERL-UHFFFAOYSA-N -1 0 330.384 3.596 20 0 EHADRM CCCCOc1ccccc1NC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC001589654778 949810707 /nfs/dbraw/zinc/81/07/07/949810707.db2.gz RSLAXIJWECRUKO-CQSZACIVSA-N -1 0 336.432 3.734 20 0 EHADRM O=C([O-])c1cncc(NC(=O)N2CCC[C@@H](C3CCCCC3)C2)c1 ZINC001595270610 949821654 /nfs/dbraw/zinc/82/16/54/949821654.db2.gz FCRHSTNFYMJHNN-CQSZACIVSA-N -1 0 331.416 3.604 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1ccc(SC(F)(F)F)cc1)C(=O)[O-] ZINC000236590682 949923487 /nfs/dbraw/zinc/92/34/87/949923487.db2.gz MEYCKLOTNSJWFY-LLVKDONJSA-N -1 0 335.347 3.528 20 0 EHADRM Cc1ccc(SC2(C(=O)N(C)C[C@H](C)C(=O)[O-])CCCC2)cc1 ZINC000237370498 949959119 /nfs/dbraw/zinc/95/91/19/949959119.db2.gz VZMZQWKVCIRBRY-AWEZNQCLSA-N -1 0 335.469 3.579 20 0 EHADRM CCCN(Cc1ccc(F)cc1F)C(=O)c1ccc(C(=O)[O-])cc1 ZINC001589674207 949970417 /nfs/dbraw/zinc/97/04/17/949970417.db2.gz FHSHTGWIPAZPKY-UHFFFAOYSA-N -1 0 333.334 3.715 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cnc(-c2ccccc2)s1 ZINC000237943398 949981153 /nfs/dbraw/zinc/98/11/53/949981153.db2.gz IJFAJNPGOLTWPH-AWEZNQCLSA-N -1 0 344.436 3.670 20 0 EHADRM CCCOc1cc(C)ccc1NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001589680112 950036598 /nfs/dbraw/zinc/03/65/98/950036598.db2.gz LSPCNXBPYQBLIM-RMKNXTFCSA-N -1 0 329.352 3.727 20 0 EHADRM CCCN(CCC)c1ccc(NC(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC001589680572 950046163 /nfs/dbraw/zinc/04/61/63/950046163.db2.gz XGXVSNOPSJWYJK-INIZCTEOSA-N -1 0 335.448 3.544 20 0 EHADRM CCc1nc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)sc1C ZINC000261635931 950046225 /nfs/dbraw/zinc/04/62/25/950046225.db2.gz CLZVGIREGJWGKD-UHFFFAOYSA-N -1 0 333.413 3.675 20 0 EHADRM CCCOc1ccc(COC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC001589681613 950054908 /nfs/dbraw/zinc/05/49/08/950054908.db2.gz WOSIOKJTLUQFRW-NTMALXAHSA-N -1 0 330.336 3.523 20 0 EHADRM C[C@H](C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000262157432 950073873 /nfs/dbraw/zinc/07/38/73/950073873.db2.gz NSRZCJCLHCXTQR-YVEFUNNKSA-N -1 0 343.810 3.654 20 0 EHADRM Cc1ccccc1COc1cccc(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])c1 ZINC000262665278 950149082 /nfs/dbraw/zinc/14/90/82/950149082.db2.gz OJTCBXRKTZOGAR-ZWKOTPCHSA-N -1 0 339.391 3.623 20 0 EHADRM C[C@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC[C@@H]1C(=O)[O-] ZINC000262829738 950170233 /nfs/dbraw/zinc/17/02/33/950170233.db2.gz CEBNPQYOQSZYIZ-BBRMVZONSA-N -1 0 349.858 3.721 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000262826669 950171632 /nfs/dbraw/zinc/17/16/32/950171632.db2.gz FMUIGMMVFMFNDH-OLZOCXBDSA-N -1 0 333.384 3.537 20 0 EHADRM CCC(CC)(Cc1nc2ccccc2s1)C(=O)N(C)CCC(=O)[O-] ZINC000262883196 950181453 /nfs/dbraw/zinc/18/14/53/950181453.db2.gz LVWMEQAZZDKVPQ-UHFFFAOYSA-N -1 0 348.468 3.578 20 0 EHADRM CCN(C(=O)CCCSc1ccc(Cl)cc1)[C@@H](C)C(=O)[O-] ZINC001589700264 950230238 /nfs/dbraw/zinc/23/02/38/950230238.db2.gz XAFITYVUWXFCTD-NSHDSACASA-N -1 0 329.849 3.534 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000263081243 950249422 /nfs/dbraw/zinc/24/94/22/950249422.db2.gz HSWPCVWDLVEPJP-GJZGRUSLSA-N -1 0 348.443 3.686 20 0 EHADRM CCN(C(=O)Nc1c(C)c2ccccc2nc1SC)[C@H](C)C(=O)[O-] ZINC001589703904 950260354 /nfs/dbraw/zinc/26/03/54/950260354.db2.gz XGOOWKXKGLYXCH-LLVKDONJSA-N -1 0 347.440 3.592 20 0 EHADRM CCN(C(=O)Nc1ccccc1COc1ccccc1)[C@@H](C)C(=O)[O-] ZINC001589707289 950307643 /nfs/dbraw/zinc/30/76/43/950307643.db2.gz RCAAKZOUPDNGED-AWEZNQCLSA-N -1 0 342.395 3.593 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000263206681 950326106 /nfs/dbraw/zinc/32/61/06/950326106.db2.gz NAIHNAORYSOWPU-GOEBONIOSA-N -1 0 331.456 3.628 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000263216121 950330597 /nfs/dbraw/zinc/33/05/97/950330597.db2.gz ODCVZYJLGATICN-RKDXNWHRSA-N -1 0 349.736 3.684 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263302530 950357734 /nfs/dbraw/zinc/35/77/34/950357734.db2.gz GTOHFZUCHXQPHN-XBFCOCLRSA-N -1 0 344.411 3.554 20 0 EHADRM O=C([O-])c1ccc(CNc2cccc(CN3CCCCC3=O)c2)cc1 ZINC000263478033 950482460 /nfs/dbraw/zinc/48/24/60/950482460.db2.gz NENOPVLBFXQBBP-UHFFFAOYSA-N -1 0 338.407 3.509 20 0 EHADRM CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001589736124 950533448 /nfs/dbraw/zinc/53/34/48/950533448.db2.gz HBBWQGRFYGQFCF-QWHCGFSZSA-N -1 0 343.345 3.555 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccnc1C(=O)[O-] ZINC001589736805 950548900 /nfs/dbraw/zinc/54/89/00/950548900.db2.gz QXWIQLWCAPUNRX-UHFFFAOYSA-N -1 0 339.804 3.549 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)Oc2ccc(-c3cscn3)cc2)co1 ZINC001594971058 950852904 /nfs/dbraw/zinc/85/29/04/950852904.db2.gz MQGKAJAVNQUKEW-WAYWQWQTSA-N -1 0 341.344 3.720 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc(Cl)c(Cl)[nH]2)c2ccccc21 ZINC000316604299 950885394 /nfs/dbraw/zinc/88/53/94/950885394.db2.gz IBODYOWUUHIEBG-SECBINFHSA-N -1 0 339.178 3.540 20 0 EHADRM O=C([O-])CC1(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CCC1 ZINC001594976650 950923112 /nfs/dbraw/zinc/92/31/12/950923112.db2.gz BNXUIGXUQKOWGE-GXFFZTMASA-N -1 0 342.222 3.611 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)CCCCCc2ccc(F)cc2)C1 ZINC001594987931 951030890 /nfs/dbraw/zinc/03/08/90/951030890.db2.gz OPWGVWHBBFUKPE-INIZCTEOSA-N -1 0 335.419 3.642 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)c1cc(C(=O)[O-])n[nH]1)c1ccc(Cl)cc1 ZINC001602859628 971711752 /nfs/dbraw/zinc/71/17/52/971711752.db2.gz OMNIGDFZVQYXJR-CQSZACIVSA-N -1 0 349.818 3.669 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000324588787 951069664 /nfs/dbraw/zinc/06/96/64/951069664.db2.gz IDUBKRFGBHLWAI-CQSZACIVSA-N -1 0 334.416 3.583 20 0 EHADRM O=C([O-])CCC(=O)Nc1ccc(-c2cccc(C(F)(F)F)c2)cn1 ZINC001594996942 951089159 /nfs/dbraw/zinc/08/91/59/951089159.db2.gz WRTKLJIWSHXSGH-UHFFFAOYSA-N -1 0 338.285 3.571 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)Nc2cc(F)cc(Cl)c2)Cc2ccccc21 ZINC000325974413 951096183 /nfs/dbraw/zinc/09/61/83/951096183.db2.gz WTGXIROYVHRPMS-HNNXBMFYSA-N -1 0 348.761 3.695 20 0 EHADRM Cc1cc(F)ccc1CCNC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000327071393 951106925 /nfs/dbraw/zinc/10/69/25/951106925.db2.gz SXBCQUVKUWDWJB-UHFFFAOYSA-N -1 0 344.386 3.516 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)Nc1cccc(N2CCCC2)c1)C(=O)[O-] ZINC001602861124 971717788 /nfs/dbraw/zinc/71/77/88/971717788.db2.gz JPGNIIVPDDESBY-MRXNPFEDSA-N -1 0 347.459 3.688 20 0 EHADRM CC[C@@H](NC(=O)c1cccc(OCC(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000345810271 951133023 /nfs/dbraw/zinc/13/30/23/951133023.db2.gz UYHHKVRLVVPHDI-MRXNPFEDSA-N -1 0 347.798 3.685 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000347513796 951134069 /nfs/dbraw/zinc/13/40/69/951134069.db2.gz HYNBGRKHNDMGJI-LSDHHAIUSA-N -1 0 335.469 3.661 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)c1cc(O)c2ccccc2c1)C(=O)[O-] ZINC001602861348 971720540 /nfs/dbraw/zinc/72/05/40/971720540.db2.gz SXWALDBVQXUPCS-HNNXBMFYSA-N -1 0 329.396 3.555 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)NC[C@H](c1ccccc1)C1CC1 ZINC001595011151 951241649 /nfs/dbraw/zinc/24/16/49/951241649.db2.gz HPJCJHLURGKZKN-QZTJIDSGSA-N -1 0 344.455 3.609 20 0 EHADRM CCC(CC)(CNC(=O)CCc1ccc(C)c(Cl)c1)C(=O)[O-] ZINC000387784957 951323343 /nfs/dbraw/zinc/32/33/43/951323343.db2.gz ZKPCEHZTNRPEJU-UHFFFAOYSA-N -1 0 325.836 3.588 20 0 EHADRM Cc1cc(NC(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1C(=O)[O-] ZINC000392411890 951421533 /nfs/dbraw/zinc/42/15/33/951421533.db2.gz QFIXXWBQNRILKC-UHFFFAOYSA-N -1 0 329.312 3.554 20 0 EHADRM CCc1cc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)cc(Cl)n1 ZINC000392520952 951422713 /nfs/dbraw/zinc/42/27/13/951422713.db2.gz ZUCNVYSSZIYKFB-AWEZNQCLSA-N -1 0 344.798 3.516 20 0 EHADRM Cc1cc(OCc2nc(C(=O)[O-])cs2)cc(C)c1Br ZINC000381229209 971747937 /nfs/dbraw/zinc/74/79/37/971747937.db2.gz PIHNYDSGVXIMRU-UHFFFAOYSA-N -1 0 342.214 3.800 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)N2CC[C@H](CC(F)(F)F)C2)c1 ZINC001595065090 951539227 /nfs/dbraw/zinc/53/92/27/951539227.db2.gz BNZBWJJRGRBLEO-GFCCVEGCSA-N -1 0 344.333 3.510 20 0 EHADRM O=C([O-])CCc1cccc(Nc2cc(Cl)nc([C@H]3CCCO3)n2)c1 ZINC001595066434 951551980 /nfs/dbraw/zinc/55/19/80/951551980.db2.gz KQPJTMWUSCEJEQ-CYBMUJFWSA-N -1 0 347.802 3.742 20 0 EHADRM O=C([O-])CCc1cccc(NCc2nnc(-c3cccc(F)c3)o2)c1 ZINC001595066683 951556612 /nfs/dbraw/zinc/55/66/12/951556612.db2.gz UZFTUJBQYFFBFR-UHFFFAOYSA-N -1 0 341.342 3.505 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)N[C@H]2CCc3ccc(F)cc32)c1 ZINC001595067103 951563407 /nfs/dbraw/zinc/56/34/07/951563407.db2.gz WPCCTASSKXEBMT-KRWDZBQOSA-N -1 0 342.370 3.652 20 0 EHADRM O=C([O-])[C@@H]1CCCN1C(=O)Nc1nc(C2CCCCCC2)cs1 ZINC001595167201 952210003 /nfs/dbraw/zinc/21/00/03/952210003.db2.gz GAQPRVYWXOTFAJ-ZDUSSCGKSA-N -1 0 337.445 3.662 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)[C@H]1CCOC3(CCC3)C1)CCCC2 ZINC001595207061 952336003 /nfs/dbraw/zinc/33/60/03/952336003.db2.gz RPCNCERNZITRMT-NSHDSACASA-N -1 0 349.452 3.613 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)[nH]n1 ZINC001595209863 952360058 /nfs/dbraw/zinc/36/00/58/952360058.db2.gz XELPRWMBMWBDEE-UHFFFAOYSA-N -1 0 347.783 3.742 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)ccc2[nH]1 ZINC001602925608 971889276 /nfs/dbraw/zinc/88/92/76/971889276.db2.gz NTKLUSWSOGHGAY-CYBMUJFWSA-N -1 0 331.416 3.546 20 0 EHADRM CCSc1ccc(CC(=O)NC2(CC(=O)[O-])CCCCC2)cc1 ZINC001593597733 953384070 /nfs/dbraw/zinc/38/40/70/953384070.db2.gz RVEAKCBFRPYKCO-UHFFFAOYSA-N -1 0 335.469 3.635 20 0 EHADRM CCSC1(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)CC1 ZINC001593598943 953395617 /nfs/dbraw/zinc/39/56/17/953395617.db2.gz FXQXVKPPBPCWEJ-UHFFFAOYSA-N -1 0 346.811 3.585 20 0 EHADRM CC[C@@H](NC(=O)CCCCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001593600732 953406677 /nfs/dbraw/zinc/40/66/77/953406677.db2.gz FEFGJGNFEHGTKM-CYBMUJFWSA-N -1 0 332.227 3.686 20 0 EHADRM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424242419 953432054 /nfs/dbraw/zinc/43/20/54/953432054.db2.gz ZPTYBMWXKWLMNJ-CQSZACIVSA-N -1 0 334.460 3.682 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)NC[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000424402644 953466459 /nfs/dbraw/zinc/46/64/59/953466459.db2.gz AACYIWQIWXEBSU-IAGOWNOFSA-N -1 0 332.444 3.588 20 0 EHADRM O=C([O-])c1cccc(NC(=O)NCCCCOc2ccc(F)cc2)c1 ZINC001594757116 953470769 /nfs/dbraw/zinc/47/07/69/953470769.db2.gz FLMNHLCDTXNUDK-UHFFFAOYSA-N -1 0 346.358 3.505 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1cccn1[C@H](C)Cc1ccccc1)C(=O)[O-] ZINC001593614104 953485169 /nfs/dbraw/zinc/48/51/69/953485169.db2.gz DGONPMGBAMZVII-DAYGRLMNSA-N -1 0 342.439 3.521 20 0 EHADRM CC(C)(CCNC(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1)C(=O)[O-] ZINC000424447086 953488329 /nfs/dbraw/zinc/48/83/29/953488329.db2.gz HKRKWLRWZOYOHL-MRXNPFEDSA-N -1 0 348.418 3.562 20 0 EHADRM CC(C)(NC(=O)CCCc1ccc2c(c1)-c1ccccc1C2)C(=O)[O-] ZINC000431455236 953500484 /nfs/dbraw/zinc/50/04/84/953500484.db2.gz DPBFMWVWTRHZPW-UHFFFAOYSA-N -1 0 337.419 3.560 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])cc2)cs1 ZINC000518471020 953547682 /nfs/dbraw/zinc/54/76/82/953547682.db2.gz UOURJRPROPFVIT-AWEZNQCLSA-N -1 0 347.440 3.739 20 0 EHADRM CCc1c(NC(=O)c2cc(C)cc(C(=O)[O-])c2)onc1C(F)(F)F ZINC001593627565 953566061 /nfs/dbraw/zinc/56/60/61/953566061.db2.gz RJAUNVBXDAYIBF-UHFFFAOYSA-N -1 0 342.273 3.515 20 0 EHADRM C[C@@](CNC(=O)c1occc1-c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000554730468 953583535 /nfs/dbraw/zinc/58/35/35/953583535.db2.gz ZFJHHKIFHDLABE-NRFANRHFSA-N -1 0 349.386 3.719 20 0 EHADRM C[C@](CNC(=O)c1occc1-c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000554730469 953583752 /nfs/dbraw/zinc/58/37/52/953583752.db2.gz ZFJHHKIFHDLABE-OAQYLSRUSA-N -1 0 349.386 3.719 20 0 EHADRM C[C@H](NC(=O)C1(CC(=O)[O-])CCC1)c1ccc(-c2ccncc2)cc1 ZINC000563139933 953594609 /nfs/dbraw/zinc/59/46/09/953594609.db2.gz BXWNKPGVQKLNAW-AWEZNQCLSA-N -1 0 338.407 3.571 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)NCc2cccs2)c1Cl ZINC001594777180 953598057 /nfs/dbraw/zinc/59/80/57/953598057.db2.gz NUYRRRZFSRQYRD-UHFFFAOYSA-N -1 0 328.752 3.561 20 0 EHADRM CCc1cc(NC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)ccc1F ZINC001593634118 953599746 /nfs/dbraw/zinc/59/97/46/953599746.db2.gz MLQWFOKHGYSXTP-IBGZPJMESA-N -1 0 344.386 3.552 20 0 EHADRM CCc1ccc([C@H](NC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)C(C)C)cc1 ZINC001593636934 953612664 /nfs/dbraw/zinc/61/26/64/953612664.db2.gz JKZOCWXMCDFBOY-JCGIZDLHSA-N -1 0 346.471 3.698 20 0 EHADRM CCc1ccc2c(c1)[C@H](NC(=O)Nc1ccccc1C(=O)[O-])CCO2 ZINC001593639982 953635905 /nfs/dbraw/zinc/63/59/05/953635905.db2.gz DTLCOXXSAVHVOO-MRXNPFEDSA-N -1 0 340.379 3.593 20 0 EHADRM CCCc1ccc([C@H](NC(=O)[C@@H](C)C(=O)[O-])c2cccs2)cc1 ZINC000569574396 953650718 /nfs/dbraw/zinc/65/07/18/953650718.db2.gz AZVWGMXRRMEKNT-WBMJQRKESA-N -1 0 331.437 3.627 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CNC(=O)Nc2cccc(CCC(=O)[O-])c2)o1 ZINC001589297077 953658189 /nfs/dbraw/zinc/65/81/89/953658189.db2.gz WWICNRFKUAFDEA-MLGOLLRUSA-N -1 0 342.395 3.742 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N3CC[C@H](C)[C@H](C(=O)[O-])C3)o2)cc1 ZINC000577221489 953693732 /nfs/dbraw/zinc/69/37/32/953693732.db2.gz RBCRGJMGOJKMOQ-XJKSGUPXSA-N -1 0 341.407 3.692 20 0 EHADRM CCc1nc(C(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)c(C)o1 ZINC001593649142 953698779 /nfs/dbraw/zinc/69/87/79/953698779.db2.gz UZWLCOKOIGNNJE-QMMMGPOBSA-N -1 0 348.424 3.682 20 0 EHADRM CCc1nc2ccc(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc2s1 ZINC001593650595 953705283 /nfs/dbraw/zinc/70/52/83/953705283.db2.gz AGECQXBWYPVCRT-LLVKDONJSA-N -1 0 349.456 3.727 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC001589303571 953714451 /nfs/dbraw/zinc/71/44/51/953714451.db2.gz UXLWZGBTNSDRLS-TZMCWYRMSA-N -1 0 336.391 3.646 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC001589303701 953717391 /nfs/dbraw/zinc/71/73/91/953717391.db2.gz KGQFQEBAIFTQJS-JQWIXIFHSA-N -1 0 344.333 3.508 20 0 EHADRM CC(C)[C@@H](NC(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1)C(=O)[O-] ZINC000583518817 953728802 /nfs/dbraw/zinc/72/88/02/953728802.db2.gz JCXJBSHWWKSDEF-OAHLLOKOSA-N -1 0 347.415 3.647 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1CNC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001589310042 953780743 /nfs/dbraw/zinc/78/07/43/953780743.db2.gz CASRSMNFDDHDAX-HFTRVMKXSA-N -1 0 347.455 3.588 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2ccc3c(c2)C=CC2(CCC2)O3)CCCC1 ZINC001594806368 953781626 /nfs/dbraw/zinc/78/16/26/953781626.db2.gz IXGMZBPYKYPSED-UHFFFAOYSA-N -1 0 342.395 3.534 20 0 EHADRM CCn1c(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc2ccccc21 ZINC001593660317 953792932 /nfs/dbraw/zinc/79/29/32/953792932.db2.gz KQXWSYLTUXHNJL-IAGOWNOFSA-N -1 0 348.402 3.704 20 0 EHADRM CC(C)[C@@H]1C[C@H](NC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)c2ccccc21 ZINC000626777242 953819868 /nfs/dbraw/zinc/81/98/68/953819868.db2.gz LRIMUQUGOZHDDV-USJZOSNVSA-N -1 0 344.455 3.623 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000630136246 953839996 /nfs/dbraw/zinc/83/99/96/953839996.db2.gz YBFLNIVLKNHSNA-CQSZACIVSA-N -1 0 327.380 3.580 20 0 EHADRM CCn1ccc(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)c1C ZINC001593666198 953851618 /nfs/dbraw/zinc/85/16/18/953851618.db2.gz GUKOELWJNZLGJJ-UHFFFAOYSA-N -1 0 340.423 3.534 20 0 EHADRM Cc1cc(F)c(C(F)(F)F)cc1NC(=O)NCC1(C(=O)[O-])CCC1 ZINC000630569879 953867004 /nfs/dbraw/zinc/86/70/04/953867004.db2.gz UHBROYNKVLOLOG-UHFFFAOYSA-N -1 0 348.296 3.529 20 0 EHADRM O=C([O-])c1c(NC(=O)c2ccc(C3CC3)cc2)sc2c1CCOC2 ZINC001594821289 953900999 /nfs/dbraw/zinc/90/09/99/953900999.db2.gz ANNWJWQOZCQPJH-UHFFFAOYSA-N -1 0 343.404 3.649 20 0 EHADRM C[C@@H]1CCCN(C(=O)CCc2ccc(Cl)c(Cl)c2)[C@H]1C(=O)[O-] ZINC001589326073 953912943 /nfs/dbraw/zinc/91/29/43/953912943.db2.gz PSQZSWKQDSIPMN-MEBBXXQBSA-N -1 0 344.238 3.638 20 0 EHADRM CC(C)(C)[C@H](NC(=O)N1CCC(C)(C(=O)[O-])CC1)c1ccccc1 ZINC000646143222 953923688 /nfs/dbraw/zinc/92/36/88/953923688.db2.gz TYTXTXBFZCFBNG-OAHLLOKOSA-N -1 0 332.444 3.670 20 0 EHADRM C[C@H]1CCCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001589327887 953926407 /nfs/dbraw/zinc/92/64/07/953926407.db2.gz DCHQIUBCUQMOSD-UFBFGSQYSA-N -1 0 349.736 3.684 20 0 EHADRM C[C@H]1CCN(C(=O)C2=C(c3ccccc3)CCCC2)C[C@@H]1C(=O)[O-] ZINC001589337000 954001648 /nfs/dbraw/zinc/00/16/48/954001648.db2.gz RLLMMXGLWIBHNH-KSSFIOAISA-N -1 0 327.424 3.583 20 0 EHADRM Cc1ccc(-c2cccnc2)cc1NC(=O)NC1(CC(=O)[O-])CCC1 ZINC000649543668 954006426 /nfs/dbraw/zinc/00/64/26/954006426.db2.gz WMXUXGGYKKEOIN-UHFFFAOYSA-N -1 0 339.395 3.576 20 0 EHADRM Cc1nc2cc(F)ccc2cc1C(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC000652084224 954038134 /nfs/dbraw/zinc/03/81/34/954038134.db2.gz BIIVHCPAUUPQER-ZDUSSCGKSA-N -1 0 346.402 3.549 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1cccc(-c2nc3ccccc3o2)c1)C1CC1 ZINC001594837672 954041213 /nfs/dbraw/zinc/04/12/13/954041213.db2.gz NJQOUGOQMBNCKR-INIZCTEOSA-N -1 0 336.347 3.544 20 0 EHADRM C[C@@H]1CCN(C(=O)N[C@@H]2CCC(C)(C)c3ccccc32)C[C@@H]1C(=O)[O-] ZINC001589344573 954042898 /nfs/dbraw/zinc/04/28/98/954042898.db2.gz DYBSTCNMCSFYDT-UKPHBRMFSA-N -1 0 344.455 3.551 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(-c3cccs3)s2)C[C@@H]1C(=O)[O-] ZINC001589347852 954062432 /nfs/dbraw/zinc/06/24/32/954062432.db2.gz IMZCRIBBJUJBBV-MNOVXSKESA-N -1 0 335.450 3.659 20 0 EHADRM O=C([O-])[C@H](Sc1nc(C(F)(F)F)nc2ccccc21)C1CC1 ZINC001594842692 954093205 /nfs/dbraw/zinc/09/32/05/954093205.db2.gz GAWNODSVACQLEE-SNVBAGLBSA-N -1 0 328.315 3.604 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000653317226 954141736 /nfs/dbraw/zinc/14/17/36/954141736.db2.gz ODFZUIJWENUTAK-PKINLEFWSA-N -1 0 342.222 3.561 20 0 EHADRM CC(C)[C@H](CNC(=O)C1(C(=O)[O-])CCCCCC1)Nc1ccccc1 ZINC001602977655 971989808 /nfs/dbraw/zinc/98/98/08/971989808.db2.gz IMMFETZLFQXCRG-KRWDZBQOSA-N -1 0 346.471 3.665 20 0 EHADRM CCc1ccc(CCC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000653333600 954165382 /nfs/dbraw/zinc/16/53/82/954165382.db2.gz QYXXXBGYHVQZJK-RBUKOAKNSA-N -1 0 337.419 3.611 20 0 EHADRM CN(C)c1cc(NC(=O)Nc2cccc(CC(=O)[O-])c2)ccc1Cl ZINC001593710148 954180030 /nfs/dbraw/zinc/18/00/30/954180030.db2.gz CDDVTSWTXOZQCK-UHFFFAOYSA-N -1 0 347.802 3.677 20 0 EHADRM C[C@H]1CCc2sc(C(=O)NCc3ccccc3C(=O)[O-])cc2C1 ZINC001589365662 954189192 /nfs/dbraw/zinc/18/91/92/954189192.db2.gz UTSBRQGSRYGEPD-NSHDSACASA-N -1 0 329.421 3.501 20 0 EHADRM CC(C)[C@H](CNC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000655565663 954203951 /nfs/dbraw/zinc/20/39/51/954203951.db2.gz BNAGUJRMEUHHAX-ONGXEEELSA-N -1 0 332.227 3.570 20 0 EHADRM CC(C)[C@@H](CNC(=O)C[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000655568733 954206760 /nfs/dbraw/zinc/20/67/60/954206760.db2.gz RATDYSYUFZEUQU-WCQYABFASA-N -1 0 345.361 3.672 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccc(F)cc1 ZINC000655581016 954221437 /nfs/dbraw/zinc/22/14/37/954221437.db2.gz HZYFFTLCFYJGGA-GVAFMPQTSA-N -1 0 335.419 3.571 20 0 EHADRM C[C@H](NC(=O)[C@]1(C)CCCc2ccccc21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655586415 954228834 /nfs/dbraw/zinc/22/88/34/954228834.db2.gz TUCPOUAEZLPQPT-OYSHDIIGSA-N -1 0 343.467 3.532 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(-c3ccc(Cl)cc3)c[nH]2)CC[C@@H]1C(=O)[O-] ZINC001589382535 954286239 /nfs/dbraw/zinc/28/62/39/954286239.db2.gz GZWDHTMDSTZOOV-ABAIWWIYSA-N -1 0 346.814 3.518 20 0 EHADRM COc1cc(C)c(C)cc1NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656605016 954304576 /nfs/dbraw/zinc/30/45/76/954304576.db2.gz NJTJFJCYJCBQBU-HZSPNIEDSA-N -1 0 348.443 3.569 20 0 EHADRM CC(C)[C@H](CNC(=O)Nc1cccc2c1ccn2C(F)F)C(=O)[O-] ZINC000656605519 954304764 /nfs/dbraw/zinc/30/47/64/954304764.db2.gz UPIRPXDYKAINRG-NSHDSACASA-N -1 0 339.342 3.515 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)C[C@]12CCCC[C@H]1C2(F)F)C(=O)[O-] ZINC000659153050 954311848 /nfs/dbraw/zinc/31/18/48/954311848.db2.gz HDMFYHUINNWZAO-HWWQOWPSSA-N -1 0 331.403 3.598 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc([C@@H]3CCOC3)cc2)CCCCCC1 ZINC001594870078 954343968 /nfs/dbraw/zinc/34/39/68/954343968.db2.gz RHAOIXJNSZBDBF-OAHLLOKOSA-N -1 0 331.412 3.554 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1 ZINC000659784024 954373835 /nfs/dbraw/zinc/37/38/35/954373835.db2.gz XEZGITJRNXAURZ-ZUZCIYMTSA-N -1 0 349.839 3.596 20 0 EHADRM O=C([O-])C1(CNc2nc(-c3cc(Cl)cc(Cl)c3)no2)CCC1 ZINC001594880645 954427107 /nfs/dbraw/zinc/42/71/07/954427107.db2.gz OPJWESXCMAPJBZ-UHFFFAOYSA-N -1 0 342.182 3.710 20 0 EHADRM O=C([O-])C1(c2noc(-c3cc(-c4ccccc4Cl)on3)n2)CCC1 ZINC001594884782 954451171 /nfs/dbraw/zinc/45/11/71/954451171.db2.gz PKBRDCWYTCUTPF-UHFFFAOYSA-N -1 0 345.742 3.551 20 0 EHADRM C[C@H]1O[C@@H](C)Cc2c(C(=O)[O-])c(NC(=O)CCc3ccco3)sc21 ZINC001589411571 954518514 /nfs/dbraw/zinc/51/85/14/954518514.db2.gz QPDXPNSPUOKNOC-VHSXEESVSA-N -1 0 349.408 3.633 20 0 EHADRM COC[C@H](Nc1cccc(C(=O)[O-])n1)c1cccc(C(F)(F)F)c1 ZINC000668140059 954565867 /nfs/dbraw/zinc/56/58/67/954565867.db2.gz FVMSNOWMICCCOA-ZDUSSCGKSA-N -1 0 340.301 3.598 20 0 EHADRM CC/C(=C\C(=O)N1CCC[C@](CC)(C(=O)[O-])C1)c1ccc(OC)cc1 ZINC001589420017 954590735 /nfs/dbraw/zinc/59/07/35/954590735.db2.gz IYYHDKGTDIEUAV-GUCAUAJOSA-N -1 0 345.439 3.592 20 0 EHADRM CC(C)[C@@H]1CCc2nc(NC(=O)[C@@]3(C(=O)[O-])CC=CCC3)sc2C1 ZINC001602999115 972035522 /nfs/dbraw/zinc/03/55/22/972035522.db2.gz CMNLCVDZTRURMI-KZULUSFZSA-N -1 0 348.468 3.654 20 0 EHADRM CC(C)[C@H](SCc1ccccc1)C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC001602994000 972033900 /nfs/dbraw/zinc/03/39/00/972033900.db2.gz UYICKPDWVOMTQY-UAGQMJEPSA-N -1 0 349.496 3.514 20 0 EHADRM CC(C)C1CCC(CNC(=O)NCc2cccc(C(=O)[O-])c2)CC1 ZINC001603000258 972039344 /nfs/dbraw/zinc/03/93/44/972039344.db2.gz PZPMUGDNUHVAKQ-UHFFFAOYSA-N -1 0 332.444 3.646 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)N1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC001589463440 954873536 /nfs/dbraw/zinc/87/35/36/954873536.db2.gz AQDUJSVYZSUGDH-JMSKFVGWSA-N -1 0 345.439 3.589 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)Nc2ccc(C(F)F)cc2)C1 ZINC000386390500 972050419 /nfs/dbraw/zinc/05/04/19/972050419.db2.gz FXVRCOJKOXEIQF-LBPRGKRZSA-N -1 0 340.370 3.979 20 0 EHADRM CC[C@@H](CC(F)(F)F)NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001589466776 954910421 /nfs/dbraw/zinc/91/04/21/954910421.db2.gz JIXVWACMZLAYHZ-NSHDSACASA-N -1 0 332.322 3.556 20 0 EHADRM O=C([O-])[C@@H]1CN(Cc2c(Cl)ccnc2Cl)Cc2ccccc21 ZINC001594951859 954959965 /nfs/dbraw/zinc/95/99/65/954959965.db2.gz QCWVHWOGHCLASL-GFCCVEGCSA-N -1 0 337.206 3.572 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1cc(C)n(-c2cc(C)cc(C)c2)n1 ZINC001589478061 954966361 /nfs/dbraw/zinc/96/63/61/954966361.db2.gz XSSKDOYSSSLYCK-UHFFFAOYSA-N -1 0 343.427 3.627 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)co1 ZINC001594968226 955077730 /nfs/dbraw/zinc/07/77/30/955077730.db2.gz LJNAITGQXGASQQ-UVVOCMDESA-N -1 0 345.782 3.707 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)NC2(Cc3cccc(Cl)c3)CC2)co1 ZINC001594970074 955102094 /nfs/dbraw/zinc/10/20/94/955102094.db2.gz QPVGVZNCJLLKBC-PLNGDYQASA-N -1 0 345.782 3.536 20 0 EHADRM O=C([O-])CCCNC(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1 ZINC000766829605 955314851 /nfs/dbraw/zinc/31/48/51/955314851.db2.gz KPERYJFWZVWPKT-NTMALXAHSA-N -1 0 333.384 3.548 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)N(C(=O)NCc2cccc(C(=O)[O-])c2)C1 ZINC000840993023 955578750 /nfs/dbraw/zinc/57/87/50/955578750.db2.gz FOVOGAYNYDKSRZ-KSSFIOAISA-N -1 0 338.407 3.678 20 0 EHADRM C[C@@H](CNC(=O)N[C@H](CC1CCCCC1)c1ccccc1)C(=O)[O-] ZINC001589050480 955656082 /nfs/dbraw/zinc/65/60/82/955656082.db2.gz CJBDLCJYPGBXEZ-WMLDXEAASA-N -1 0 332.444 3.718 20 0 EHADRM CC(C)N(C)c1ccc(CN2CC[C@@H](C(=O)[O-])c3ccccc32)cn1 ZINC001603059523 972126413 /nfs/dbraw/zinc/12/64/13/972126413.db2.gz IWJUKCYGRLVIQP-QGZVFWFLSA-N -1 0 339.439 3.505 20 0 EHADRM CC(C)N(C)c1ccc(NC(=O)c2ccc(C(=O)[O-])cc2)cc1F ZINC001603059678 972127448 /nfs/dbraw/zinc/12/74/48/972127448.db2.gz OMGJMMCWYAYGGV-UHFFFAOYSA-N -1 0 330.359 3.621 20 0 EHADRM C[C@H](Cc1nc([C@@H](C)C(=O)[O-])no1)c1cccc(C(F)(F)F)c1 ZINC001589084188 955889240 /nfs/dbraw/zinc/88/92/40/955889240.db2.gz XQWJWWLPNVQKNM-RKDXNWHRSA-N -1 0 328.290 3.623 20 0 EHADRM CC(F)(F)c1ccc(-c2noc(-c3ccc(C(=O)[O-])nc3)n2)cc1 ZINC001589084952 955893204 /nfs/dbraw/zinc/89/32/04/955893204.db2.gz NSFSESGOCMKZLP-UHFFFAOYSA-N -1 0 331.278 3.609 20 0 EHADRM C[C@@H](NC(=O)C1(C(=O)[O-])CCC1)[C@H](C)c1ccccc1C(F)(F)F ZINC001589089649 955924226 /nfs/dbraw/zinc/92/42/26/955924226.db2.gz IZNHBGYQXWWLKL-WDEREUQCSA-N -1 0 343.345 3.569 20 0 EHADRM Cc1ccc([C@@H](NC(=O)/C=C\c2ccc(C(=O)[O-])o2)C2CC2)cc1 ZINC000864101733 955933025 /nfs/dbraw/zinc/93/30/25/955933025.db2.gz MORZQSXKAJLBEK-LECLMCCNSA-N -1 0 325.364 3.567 20 0 EHADRM C[C@H](NC(=O)[C@@]1(C(=O)[O-])CC1(C)C)c1ccc(F)c2ccccc21 ZINC001589090814 955936484 /nfs/dbraw/zinc/93/64/84/955936484.db2.gz ZGDYRPMPZMWMJP-JEOXALJRSA-N -1 0 329.371 3.657 20 0 EHADRM C[C@]1(c2ccccc2)CCCN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)C1 ZINC000864110509 955938996 /nfs/dbraw/zinc/93/89/96/955938996.db2.gz SLWARFMNENGBKV-XADARROHSA-N -1 0 339.391 3.571 20 0 EHADRM C[C@H](CCc1ccc(F)cc1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000864120010 955947428 /nfs/dbraw/zinc/94/74/28/955947428.db2.gz SBBPIIOMYZCVHG-CYBMUJFWSA-N -1 0 329.371 3.660 20 0 EHADRM Cc1cc2c(CC(=O)N3CCC(C)(C(=O)[O-])CC3)csc2s1 ZINC000864130427 955954693 /nfs/dbraw/zinc/95/46/93/955954693.db2.gz KBUIPUOEVUJOPH-UHFFFAOYSA-N -1 0 337.466 3.527 20 0 EHADRM C[C@H]1CN(C(=O)Cc2cc(Cl)cc3ccccc32)CC[C@@H]1C(=O)[O-] ZINC000864140884 955962729 /nfs/dbraw/zinc/96/27/29/955962729.db2.gz SMHXEUDWHCSGFG-LRDDRELGSA-N -1 0 345.826 3.605 20 0 EHADRM CCc1cc2c(CC(=O)N3CCC[C@]3(C)C(=O)[O-])csc2s1 ZINC000864140131 955963441 /nfs/dbraw/zinc/96/34/41/955963441.db2.gz MSPMSUQQAMSWAH-MRXNPFEDSA-N -1 0 337.466 3.533 20 0 EHADRM CCCN(CCc1cccs1)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000864143570 955964311 /nfs/dbraw/zinc/96/43/11/955964311.db2.gz GSUYFIKZSIVEES-SOFGYWHQSA-N -1 0 333.409 3.534 20 0 EHADRM CC[C@H](CNC(=O)Cc1coc2c1ccc(Cl)c2Cl)C(=O)[O-] ZINC000864151997 955969985 /nfs/dbraw/zinc/96/99/85/955969985.db2.gz XGQDHEGNUOOVAQ-MRVPVSSYSA-N -1 0 344.194 3.509 20 0 EHADRM CC[C@H](c1cccc(OC)c1)N(C)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000864157129 955971645 /nfs/dbraw/zinc/97/16/45/955971645.db2.gz ILHNHDUPTUFBDW-PXUDHTSWSA-N -1 0 343.379 3.609 20 0 EHADRM CCCOc1ccc(NC(=O)Cc2ccccc2C(=O)[O-])cc1C ZINC000864178681 955975010 /nfs/dbraw/zinc/97/50/10/955975010.db2.gz JGJNBHRHBRRMJE-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM C[C@@]1(Cc2ccc(F)c(F)c2)CCCN1C(=O)CCCCC(=O)[O-] ZINC000864200826 955977703 /nfs/dbraw/zinc/97/77/03/955977703.db2.gz GYJNPEUOYCOCST-SFHVURJKSA-N -1 0 339.382 3.533 20 0 EHADRM CO[C@H](CC(C)C)C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001593938155 956244209 /nfs/dbraw/zinc/24/42/09/956244209.db2.gz KHTNUNOFUVIUKY-CMPLNLGQSA-N -1 0 339.457 3.571 20 0 EHADRM CC(C)(CNC(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)[O-] ZINC000388368621 972167323 /nfs/dbraw/zinc/16/73/23/972167323.db2.gz UGUOQVLABWITIP-UHFFFAOYSA-N -1 0 338.713 3.591 20 0 EHADRM CCCCOc1ccc(NC(=O)N([C@@H](C)C(=O)[O-])C2CC2)c(C)c1 ZINC000900332064 956294896 /nfs/dbraw/zinc/29/48/96/956294896.db2.gz VACJLDFKRRJMTC-ZDUSSCGKSA-N -1 0 334.416 3.643 20 0 EHADRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)Nc2cccc(-c3cccs3)c2)CO1 ZINC000901592884 956360120 /nfs/dbraw/zinc/36/01/20/956360120.db2.gz SEOQSUCZQNPCFE-UKRRQHHQSA-N -1 0 345.420 3.624 20 0 EHADRM CSCCCCCCC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000902016872 956607399 /nfs/dbraw/zinc/60/73/99/956607399.db2.gz MWBWKRGWLPGHGM-HOTGVXAUSA-N -1 0 335.469 3.729 20 0 EHADRM C[C@@H](NC(=O)[C@@H](C)CCc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000902029635 956619018 /nfs/dbraw/zinc/61/90/18/956619018.db2.gz MTMQJEMKNGPUSR-UWWPHRKUSA-N -1 0 349.446 3.646 20 0 EHADRM O=C([O-])c1ccc(NC(=O)/C=C\c2ccc(F)c3ccccc23)nc1 ZINC001594675439 956656073 /nfs/dbraw/zinc/65/60/73/956656073.db2.gz VUVWVWGBRJDMRF-YFHOEESVSA-N -1 0 336.322 3.724 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N[C@@H]1CCc2c1cccc2Cl ZINC001589204801 956656342 /nfs/dbraw/zinc/65/63/42/956656342.db2.gz NLQLXOFIHITLLX-CYBMUJFWSA-N -1 0 335.831 3.581 20 0 EHADRM CC1(C)C[C@@H](NC(=O)c2ccc(C(=O)[O-])cc2)c2cc(F)ccc2O1 ZINC001589211559 956693874 /nfs/dbraw/zinc/69/38/74/956693874.db2.gz LSHIBFVMAWOVIL-OAHLLOKOSA-N -1 0 343.354 3.556 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OCCOc1ccccc1C ZINC000011861616 956894892 /nfs/dbraw/zinc/89/48/92/956894892.db2.gz BWIOSDCXUZOWCS-CSKARUKUSA-N -1 0 328.364 3.559 20 0 EHADRM C[C@H](NC(=O)COc1cccc(C(=O)[O-])c1)c1ccc2ccccc2c1 ZINC000013080119 956931922 /nfs/dbraw/zinc/93/19/22/956931922.db2.gz FCFNVYLSIMRDHS-AWEZNQCLSA-N -1 0 349.386 3.794 20 0 EHADRM CCc1ccc(NC(=O)COc2cc(Cl)ccc2C(=O)[O-])cc1 ZINC000013085287 956935542 /nfs/dbraw/zinc/93/55/42/956935542.db2.gz ZGBMQXYDGWHFIR-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001603135805 972227685 /nfs/dbraw/zinc/22/76/85/972227685.db2.gz KXGXKTLVEPEFBT-MGPUTAFESA-N -1 0 329.440 3.670 20 0 EHADRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Oc2cccc(C(C)C)c2)c1C ZINC000013088738 956940137 /nfs/dbraw/zinc/94/01/37/956940137.db2.gz IXSXTZZAIRFYOS-UHFFFAOYSA-N -1 0 348.420 3.893 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1csc2c1CCCC2)c1ccc(F)cc1 ZINC000013177552 956958325 /nfs/dbraw/zinc/95/83/25/956958325.db2.gz AATKPPMNCDWNNI-HNNXBMFYSA-N -1 0 347.411 3.712 20 0 EHADRM O=C([O-])C1(NC(=O)c2ccc(-c3cccc(F)c3)s2)CCCC1 ZINC001594720035 956969507 /nfs/dbraw/zinc/96/95/07/956969507.db2.gz XPIROCVPVWPSEC-UHFFFAOYSA-N -1 0 333.384 3.681 20 0 EHADRM Cc1ccsc1C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000013188383 956974097 /nfs/dbraw/zinc/97/40/97/956974097.db2.gz VLTFJLFXZCSEKA-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM CCCCCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000013250642 956991870 /nfs/dbraw/zinc/99/18/70/956991870.db2.gz OBOQVSJRYYKZCJ-LLVKDONJSA-N -1 0 347.864 3.675 20 0 EHADRM CCCCOc1ccc(C(=O)NCCCCC(=O)[O-])c(Cl)c1 ZINC000909183275 957008359 /nfs/dbraw/zinc/00/83/59/957008359.db2.gz YIQDHILARQIQDT-UHFFFAOYSA-N -1 0 327.808 3.504 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)c1csc(C2CCCCC2)n1 ZINC000909498415 957025055 /nfs/dbraw/zinc/02/50/55/957025055.db2.gz SAOCAGFFXYVIBL-ZDUSSCGKSA-N -1 0 336.457 3.660 20 0 EHADRM Cc1cccc(C(C)C)c1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000013342269 957028504 /nfs/dbraw/zinc/02/85/04/957028504.db2.gz SICUVTSQDSCMKP-UHFFFAOYSA-N -1 0 333.409 3.617 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)c1ccc2ccccc2c1 ZINC000013429012 957069844 /nfs/dbraw/zinc/06/98/44/957069844.db2.gz KEMAPKJXOYRTRI-UHFFFAOYSA-N -1 0 333.387 3.957 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 ZINC000013439484 957078298 /nfs/dbraw/zinc/07/82/98/957078298.db2.gz VCMUKAVXCZDCAK-UHFFFAOYSA-N -1 0 341.382 3.903 20 0 EHADRM COc1ccc(Cl)cc1NC(=S)Nc1cccc(C(=O)[O-])c1 ZINC000013795671 957094919 /nfs/dbraw/zinc/09/49/19/957094919.db2.gz YZEZPGMDTBOPSH-UHFFFAOYSA-N -1 0 336.800 3.856 20 0 EHADRM CCCOc1ccccc1NC(=O)N1CCC[C@](CC)(C(=O)[O-])C1 ZINC000925912343 957133114 /nfs/dbraw/zinc/13/31/14/957133114.db2.gz SNWYPYWLZPDWCQ-SFHVURJKSA-N -1 0 334.416 3.584 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000037412182 957280356 /nfs/dbraw/zinc/28/03/56/957280356.db2.gz NFBQNARLBIUIJR-ZCFIWIBFSA-N -1 0 332.208 3.801 20 0 EHADRM Cc1ccc2[nH]c(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])c(Cl)c2c1 ZINC001319965593 957304699 /nfs/dbraw/zinc/30/46/99/957304699.db2.gz RTQNLNWGLGPAEJ-LLVKDONJSA-N -1 0 336.819 3.606 20 0 EHADRM O=C([O-])CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000037834007 957330906 /nfs/dbraw/zinc/33/09/06/957330906.db2.gz YXICROAFEMFCHY-UHFFFAOYSA-N -1 0 330.211 3.739 20 0 EHADRM Cc1sc(NC(=O)CCOc2ccc(F)cc2)c(C(=O)[O-])c1C ZINC000390213964 972270209 /nfs/dbraw/zinc/27/02/09/972270209.db2.gz FSKLXUGVLHQATD-UHFFFAOYSA-N -1 0 337.372 3.610 20 0 EHADRM C[C@@H](CNC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)[O-] ZINC001603175241 972274720 /nfs/dbraw/zinc/27/47/20/972274720.db2.gz MQNXSZYJPRUMEQ-XHDPSFHLSA-N -1 0 338.835 3.591 20 0 EHADRM CC(C)(C)c1ccccc1OCC(=O)Oc1ccccc1C(=O)[O-] ZINC000066144014 957641711 /nfs/dbraw/zinc/64/17/11/957641711.db2.gz PABJJSSEWYPRAC-UHFFFAOYSA-N -1 0 328.364 3.667 20 0 EHADRM CSCCc1ccc(NC(=O)CC2(CC(=O)[O-])CCCC2)cc1 ZINC000069164622 957650339 /nfs/dbraw/zinc/65/03/39/957650339.db2.gz DNPRRZRLVDTTGL-UHFFFAOYSA-N -1 0 335.469 3.956 20 0 EHADRM Cc1cc(C(=O)CS[C@H](C)C(=O)[O-])c(C)n1Cc1ccc(F)cc1 ZINC001594274364 957707376 /nfs/dbraw/zinc/70/73/76/957707376.db2.gz BZDQFNDGQYJATD-CYBMUJFWSA-N -1 0 349.427 3.681 20 0 EHADRM Cc1cc(C(=O)NCc2ccccc2C(=O)[O-])cc(C)c1OC(F)F ZINC001594281067 957742917 /nfs/dbraw/zinc/74/29/17/957742917.db2.gz LRJWBZQYRFGHRM-UHFFFAOYSA-N -1 0 349.333 3.533 20 0 EHADRM Cc1cc(C(=O)Nc2sc3c(c2C(=O)[O-])C[C@H](C)O[C@H]3C)co1 ZINC001594281388 957748230 /nfs/dbraw/zinc/74/82/30/957748230.db2.gz LAJYBWLXICBGRP-IUCAKERBSA-N -1 0 335.381 3.622 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N(Cc2ccccc2F)C2CC2)c1 ZINC001594282110 957756801 /nfs/dbraw/zinc/75/68/01/957756801.db2.gz LQZHJEADKSRFHC-UHFFFAOYSA-N -1 0 327.355 3.637 20 0 EHADRM Cc1ccc(NC(=O)N2CCc3sccc3[C@@H]2C)c(C(=O)[O-])c1 ZINC000390682888 972298796 /nfs/dbraw/zinc/29/87/96/972298796.db2.gz WORWTKIAGFPVER-NSHDSACASA-N -1 0 330.409 3.906 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2CCC[C@H]2Cc2ccccc2)ccc1O ZINC001574790492 957806268 /nfs/dbraw/zinc/80/62/68/957806268.db2.gz VMXLGJNUUSWVOZ-GOEBONIOSA-N -1 0 339.391 3.688 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Oc2ccc(F)c3c2C(=O)C[C@@H]3C)c1 ZINC001594289525 957816535 /nfs/dbraw/zinc/81/65/35/957816535.db2.gz UTBQVYOJOLTCPK-JTQLQIEISA-N -1 0 342.322 3.741 20 0 EHADRM Cc1cc(C)cc(C[C@H](C)NC(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC001594294709 957867232 /nfs/dbraw/zinc/86/72/32/957867232.db2.gz FNSLJEDZAVPEPM-HNNXBMFYSA-N -1 0 340.423 3.683 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CCC[C@@H]1c1ccc(F)cc1F ZINC001574811010 957878418 /nfs/dbraw/zinc/87/84/18/957878418.db2.gz SUBAIJSFAFHKAX-QGZVFWFLSA-N -1 0 345.345 3.569 20 0 EHADRM CCOc1ccc2[nH]c(SCc3ccccc3C(=O)[O-])nc2c1 ZINC000390726539 972300456 /nfs/dbraw/zinc/30/04/56/972300456.db2.gz LVCXHTBVJLORBT-UHFFFAOYSA-N -1 0 328.393 3.952 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)/C=C/c1ccccc1Cl ZINC000391020948 972312438 /nfs/dbraw/zinc/31/24/38/972312438.db2.gz PNLKXWLKFLKOHI-ZHACJKMWSA-N -1 0 329.783 3.710 20 0 EHADRM Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001594310851 958015964 /nfs/dbraw/zinc/01/59/64/958015964.db2.gz HUKFXGXBGLHOII-HNNXBMFYSA-N -1 0 343.358 3.596 20 0 EHADRM C[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1)c1csc2ccccc21 ZINC001343098353 958025566 /nfs/dbraw/zinc/02/55/66/958025566.db2.gz KQZLZRXJUWVRQP-FRRDWIJNSA-N -1 0 346.452 3.715 20 0 EHADRM Cc1cc(NC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc(C(F)(F)F)c1 ZINC001594317559 958084926 /nfs/dbraw/zinc/08/49/26/958084926.db2.gz IVRDONCERQPTBV-ZWNOBZJWSA-N -1 0 344.333 3.588 20 0 EHADRM Cc1cc(NC(=O)N2C[C@@H](C)C[C@@H]2c2cccnc2)ccc1C(=O)[O-] ZINC001594318019 958090899 /nfs/dbraw/zinc/09/08/99/958090899.db2.gz FLJFFBVGHOAQHO-YVEFUNNKSA-N -1 0 339.395 3.703 20 0 EHADRM COc1cc(NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc(OC)c1C ZINC001594062693 958107064 /nfs/dbraw/zinc/10/70/64/958107064.db2.gz XTBYTVOUWGKTAA-UHFFFAOYSA-N -1 0 344.367 3.663 20 0 EHADRM C[C@@H](C(=O)[O-])c1noc(C[C@H](C)c2ccccc2C(F)(F)F)n1 ZINC001603208602 972322033 /nfs/dbraw/zinc/32/20/33/972322033.db2.gz XDRZQBHRFFBKKG-DTWKUNHWSA-N -1 0 328.290 3.623 20 0 EHADRM C[C@H](NC(=O)N1CCCC[C@H]1CCC(=O)[O-])C1CCC(F)(F)CC1 ZINC001353125491 958140384 /nfs/dbraw/zinc/14/03/84/958140384.db2.gz FTNCGMQYZZGGIH-JSGCOSHPSA-N -1 0 346.418 3.629 20 0 EHADRM Cc1cc(NC(=O)c2cc(-c3ccc(F)cc3)no2)ccc1C(=O)[O-] ZINC001594324596 958148410 /nfs/dbraw/zinc/14/84/10/958148410.db2.gz GWYRGZTXSUZQGS-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM COc1cc(Oc2ccccc2)ccc1NC(=O)[C@]1(C(=O)[O-])C[C@H]1C ZINC001594067939 958157882 /nfs/dbraw/zinc/15/78/82/958157882.db2.gz ZTGQAJWXYVTJPQ-BLVKFPJESA-N -1 0 341.363 3.537 20 0 EHADRM CCc1cc2c(ncnc2NCCc2ccccc2C(=O)[O-])s1 ZINC000391323798 972329150 /nfs/dbraw/zinc/32/91/50/972329150.db2.gz QHDHFPUDPXIWPI-UHFFFAOYSA-N -1 0 327.409 3.607 20 0 EHADRM Cc1c2cc(C)c(C)cc2sc1C(=O)Nc1n[nH]cc1C(=O)[O-] ZINC001594332753 958242738 /nfs/dbraw/zinc/24/27/38/958242738.db2.gz GYPNFKIQHPCGIM-UHFFFAOYSA-N -1 0 329.381 3.500 20 0 EHADRM CCc1cc2c(ncnc2N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)s1 ZINC000391366463 972331592 /nfs/dbraw/zinc/33/15/92/972331592.db2.gz OYLYWEWMNFYKKZ-LLVKDONJSA-N -1 0 333.457 3.581 20 0 EHADRM C[C@H](NC(=O)CCCCC(=O)[O-])c1ccc(Oc2cccnc2)cc1 ZINC001603220619 972341744 /nfs/dbraw/zinc/34/17/44/972341744.db2.gz UHQYJZOUVPKKCZ-AWEZNQCLSA-N -1 0 342.395 3.696 20 0 EHADRM Cc1ccc(CC(=O)Nc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC001594354857 958404851 /nfs/dbraw/zinc/40/48/51/958404851.db2.gz JXXCNHWSFIGLQO-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(-c2ccc(Br)s2)n1 ZINC000123906423 958511054 /nfs/dbraw/zinc/51/10/54/958511054.db2.gz XKJYTNUYEGXVSC-UHFFFAOYSA-N -1 0 332.244 3.996 20 0 EHADRM COc1ccc2c(c1)c(-c1nc([C@@H](C)C(=O)[O-])no1)c(C)n2C1CC1 ZINC001594117464 958562084 /nfs/dbraw/zinc/56/20/84/958562084.db2.gz GXMUDYFKKBLMNL-SECBINFHSA-N -1 0 341.367 3.531 20 0 EHADRM COc1ccc2cc([C@H](C)c3nc([C@@H](C)C(=O)[O-])no3)ccc2c1 ZINC001594118595 958583303 /nfs/dbraw/zinc/58/33/03/958583303.db2.gz QVLBJXFSIYQIGQ-WDEREUQCSA-N -1 0 326.352 3.571 20 0 EHADRM COc1ccc2cc([C@@H](C)OC(=O)C3(C(=O)[O-])CCC3)ccc2c1 ZINC001594118687 958584283 /nfs/dbraw/zinc/58/42/83/958584283.db2.gz YPGIDCRWWCUCQH-GFCCVEGCSA-N -1 0 328.364 3.708 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC001594123222 958609078 /nfs/dbraw/zinc/60/90/78/958609078.db2.gz FQHKFNXZDLJUFH-VKJFTORMSA-N -1 0 347.455 3.538 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)c1 ZINC001594123396 958610864 /nfs/dbraw/zinc/61/08/64/958610864.db2.gz JMRSMUNKADDNSV-INMHGKMJSA-N -1 0 347.455 3.681 20 0 EHADRM C/C(=C/c1ccccc1)CN(C)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001588488564 958637901 /nfs/dbraw/zinc/63/79/01/958637901.db2.gz QEHJAQOAJNXTJB-PYANCPKHSA-N -1 0 325.364 3.553 20 0 EHADRM CC(C)(C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(-c2ccccc2)cc1 ZINC001573382356 958671911 /nfs/dbraw/zinc/67/19/11/958671911.db2.gz ZDLBJCYDGRCYSW-MAEOIBBWSA-N -1 0 337.419 3.611 20 0 EHADRM Cc1ccc2sc(C(=O)N[C@H](Cc3ccccc3)C(=O)[O-])cc2c1 ZINC001594386342 958674841 /nfs/dbraw/zinc/67/48/41/958674841.db2.gz UNOXVXXCEHOYBR-OAHLLOKOSA-N -1 0 339.416 3.635 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)CCc1ncc(C(C)(C)C)o1 ZINC001594387679 958690308 /nfs/dbraw/zinc/69/03/08/958690308.db2.gz KIDCEFXJOOCJOQ-UHFFFAOYSA-N -1 0 330.384 3.550 20 0 EHADRM COc1cccc2c1ncc(C)c2NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001594134905 958695452 /nfs/dbraw/zinc/69/54/52/958695452.db2.gz VXTOVZYCVVPZLE-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)Nc1ccc([C@H]2CCOC2)cc1)C(=O)[O-] ZINC001573394225 958710004 /nfs/dbraw/zinc/71/00/04/958710004.db2.gz BSQSCRDQTFGCEU-HOCLYGCPSA-N -1 0 348.443 3.592 20 0 EHADRM COc1cc(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])cc(OC)c1C ZINC000391771561 972369813 /nfs/dbraw/zinc/36/98/13/972369813.db2.gz KEENYIPNCVGPLR-UHFFFAOYSA-N -1 0 349.770 3.616 20 0 EHADRM C[C@@H](NC(=O)Nc1nc2ccccc2s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603236437 972371563 /nfs/dbraw/zinc/37/15/63/972371563.db2.gz IOFZWVTWXAUVRT-OUAUKWLOSA-N -1 0 347.440 3.553 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2[nH]ccc2-c2ccccc2)C(=O)[O-])c1 ZINC001594391876 958737321 /nfs/dbraw/zinc/73/73/21/958737321.db2.gz CASMLBSNCKDNQY-KRWDZBQOSA-N -1 0 334.375 3.546 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)c1ccns1 ZINC001603236706 972374213 /nfs/dbraw/zinc/37/42/13/972374213.db2.gz NNFMBFWOJOCBIO-LURJTMIESA-N -1 0 343.767 3.517 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(Br)cc2Cl)o1 ZINC000132572036 958789784 /nfs/dbraw/zinc/78/97/84/958789784.db2.gz AFANPRMCVRFKGH-UHFFFAOYSA-N -1 0 344.548 3.646 20 0 EHADRM Cc1cccc([C@@H](NCc2ncc(-c3ccccc3F)o2)C(=O)[O-])c1 ZINC001594398736 958811570 /nfs/dbraw/zinc/81/15/70/958811570.db2.gz ZNLANDBACLBLEF-GOSISDBHSA-N -1 0 340.354 3.705 20 0 EHADRM Cc1nc(Nc2c3nsnc3ccc2Cl)sc1C(=O)[O-] ZINC000133242117 958814116 /nfs/dbraw/zinc/81/41/16/958814116.db2.gz GGWPFPJUXCREIU-UHFFFAOYSA-N -1 0 326.790 3.551 20 0 EHADRM Cc1cccc(C(C)C)c1NS(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000391825513 972379419 /nfs/dbraw/zinc/37/94/19/972379419.db2.gz OEOBRVYSBHBNME-UHFFFAOYSA-N -1 0 347.436 3.759 20 0 EHADRM Cc1cccc(C(=O)N2C[C@H](C(=O)[O-])Cc3ccccc32)c1Cl ZINC000391852972 972382805 /nfs/dbraw/zinc/38/28/05/972382805.db2.gz KKUPBJQHVIJQGA-CYBMUJFWSA-N -1 0 329.783 3.552 20 0 EHADRM CC(=O)c1cc(NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)ccc1F ZINC001588528198 958882313 /nfs/dbraw/zinc/88/23/13/958882313.db2.gz FTQSJENIRNGCCQ-UHFFFAOYSA-N -1 0 330.315 3.679 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(CC(=O)[O-])cc2)ccc1Br ZINC000137440951 958927947 /nfs/dbraw/zinc/92/79/47/958927947.db2.gz MGEVLTUPUYFGMA-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM Cc1cccc2c1CCC[C@@H]2NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001594412792 958960050 /nfs/dbraw/zinc/96/00/50/958960050.db2.gz OQBJUGNGWDATGJ-SFHVURJKSA-N -1 0 338.407 3.570 20 0 EHADRM Cc1cccc2cc(C(=O)Nc3ncccc3C(=O)[O-])c(Cl)nc12 ZINC001594413308 958965437 /nfs/dbraw/zinc/96/54/37/958965437.db2.gz FZTDZVHOHKOOEQ-UHFFFAOYSA-N -1 0 341.754 3.542 20 0 EHADRM CC(C)(NC(=O)c1ccc(C(=O)[O-])cc1)c1nc2ccccc2s1 ZINC001573482797 958972954 /nfs/dbraw/zinc/97/29/54/958972954.db2.gz HTSDMOXDJXUUBM-UHFFFAOYSA-N -1 0 340.404 3.660 20 0 EHADRM Cc1cccc2sc(NC(=O)/C=C\c3ccc(C(=O)[O-])o3)nc21 ZINC001594414026 958981475 /nfs/dbraw/zinc/98/14/75/958981475.db2.gz SQJWDTLSFHNLJC-VURMDHGXSA-N -1 0 328.349 3.548 20 0 EHADRM Cc1ccccc1-c1cnc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)o1 ZINC001594414014 958981907 /nfs/dbraw/zinc/98/19/07/958981907.db2.gz SFMWAFQWJQFLNP-GOSISDBHSA-N -1 0 340.354 3.705 20 0 EHADRM Cc1ccccc1C(NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1ccccc1C ZINC001594415349 958990816 /nfs/dbraw/zinc/99/08/16/958990816.db2.gz HROFYUVBYOKIRE-QZTJIDSGSA-N -1 0 337.419 3.620 20 0 EHADRM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000391958245 972394351 /nfs/dbraw/zinc/39/43/51/972394351.db2.gz KCCPDLVGGOCMGF-NSHDSACASA-N -1 0 330.306 3.580 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1nc(-c2c[nH]c3ccccc32)cs1 ZINC001573490319 959019015 /nfs/dbraw/zinc/01/90/15/959019015.db2.gz SVDJAMTZFQEKCV-AWEZNQCLSA-N -1 0 343.408 3.587 20 0 EHADRM CC(C)[C@H](CNC(=O)N(C)C1CC(C)(C)CC(C)(C)C1)C(=O)[O-] ZINC001573493117 959032806 /nfs/dbraw/zinc/03/28/06/959032806.db2.gz XXFDINVIKKKFPM-AWEZNQCLSA-N -1 0 326.481 3.590 20 0 EHADRM Cc1ccccc1OCCCC(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001594420077 959050769 /nfs/dbraw/zinc/05/07/69/959050769.db2.gz QUXPDIJOYGEUSY-UHFFFAOYSA-N -1 0 328.364 3.596 20 0 EHADRM Cc1c(C(=O)NCc2ccccc2C(=O)[O-])sc2nccc(C)c12 ZINC001594425085 959108623 /nfs/dbraw/zinc/10/86/23/959108623.db2.gz COONXKKHEGQNCK-UHFFFAOYSA-N -1 0 340.404 3.541 20 0 EHADRM CSCCc1ccccc1NC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC001594187941 959136893 /nfs/dbraw/zinc/13/68/93/959136893.db2.gz FLHCMOVRRMDVCI-INIZCTEOSA-N -1 0 344.436 3.540 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])c1 ZINC001573543711 959195773 /nfs/dbraw/zinc/19/57/73/959195773.db2.gz KSCXSSSCRVLVOG-MPGHIAIKSA-N -1 0 331.456 3.700 20 0 EHADRM Cc1nc(-c2ccccc2)sc1C(=O)N1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC001594443859 959311883 /nfs/dbraw/zinc/31/18/83/959311883.db2.gz YFZMHKVDXXOFJP-BXUZGUMPSA-N -1 0 344.436 3.586 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)Nc1cccc(N2CCCCCC2)c1)C1CC1 ZINC001588586251 959314141 /nfs/dbraw/zinc/31/41/41/959314141.db2.gz LIPBWXKLCWLZLJ-CQSZACIVSA-N -1 0 345.443 3.536 20 0 EHADRM C[C@@H](CCNC(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC000392167585 972419525 /nfs/dbraw/zinc/41/95/25/972419525.db2.gz XMKDNIJJZSHANM-AWEZNQCLSA-N -1 0 326.396 3.629 20 0 EHADRM O=C([O-])CC1(CNC(=O)Cc2ccc3ccccc3c2)CCCCC1 ZINC000392164280 972419733 /nfs/dbraw/zinc/41/97/33/972419733.db2.gz HIXGBEFAEHXSHH-UHFFFAOYSA-N -1 0 339.435 3.924 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)C1CC1 ZINC001588589061 959331765 /nfs/dbraw/zinc/33/17/65/959331765.db2.gz DBQOYHNUTBMUJX-SSDOTTSWSA-N -1 0 341.194 3.552 20 0 EHADRM COc1cc(NC(=O)N(C)Cc2ccc(Cl)cc2)ccc1C(=O)[O-] ZINC000392189529 972423505 /nfs/dbraw/zinc/42/35/05/972423505.db2.gz KIWAJRFNSPGTTE-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM C[C@H](CN(C)c1nc(C2CC2)nc2sc3c(c21)CCCC3)C(=O)[O-] ZINC001573588811 959386671 /nfs/dbraw/zinc/38/66/71/959386671.db2.gz XKDNQISOIWHIFB-SNVBAGLBSA-N -1 0 345.468 3.604 20 0 EHADRM Cc1nc(C2CCCCC2)sc1C(=O)N(CC(=O)[O-])C1CCC1 ZINC001594452252 959387016 /nfs/dbraw/zinc/38/70/16/959387016.db2.gz ZTJGHTFJLOPORB-UHFFFAOYSA-N -1 0 336.457 3.579 20 0 EHADRM C[C@@H](C(=O)[O-])c1noc(COc2ccc(Cl)c3ccccc23)n1 ZINC001588601609 959426879 /nfs/dbraw/zinc/42/68/79/959426879.db2.gz GKWHGETWFQDZMP-SECBINFHSA-N -1 0 332.743 3.643 20 0 EHADRM Cc1oc(CN(C)C(=O)C(C)(C)c2ccccc2C)cc1C(=O)[O-] ZINC000178184602 959429013 /nfs/dbraw/zinc/42/90/13/959429013.db2.gz KUNNCTGVKLKWDZ-UHFFFAOYSA-N -1 0 329.396 3.531 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](c2nc(C3(c4ccccc4)CCC3)no2)C1 ZINC000392218811 972429031 /nfs/dbraw/zinc/42/90/31/972429031.db2.gz JFATUABVNPRYFC-ZIAGYGMSSA-N -1 0 326.396 3.898 20 0 EHADRM Cc1nc2sc3c(c2c(N([C@@H](C)C(=O)[O-])C2CC2)n1)CC[C@H](C)C3 ZINC001594458385 959441650 /nfs/dbraw/zinc/44/16/50/959441650.db2.gz YSRSKBNPSIJQKH-UWVGGRQHSA-N -1 0 345.468 3.566 20 0 EHADRM CC(C)(C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)C(F)(F)F ZINC001588610147 959504067 /nfs/dbraw/zinc/50/40/67/959504067.db2.gz RNFQFYYBEJXPPQ-UHFFFAOYSA-N -1 0 327.661 3.704 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)c2cccc(-c3ccoc3)c2)cc1 ZINC000190487971 959512387 /nfs/dbraw/zinc/51/23/87/959512387.db2.gz LZAHMSKSIJIMBM-UHFFFAOYSA-N -1 0 335.359 3.617 20 0 EHADRM CCCCC[C@H](NC(=O)c1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000191087174 959539574 /nfs/dbraw/zinc/53/95/74/959539574.db2.gz OILYYVSJBKUFKY-AWEZNQCLSA-N -1 0 345.361 3.945 20 0 EHADRM CSCc1cc(C(=O)N(C)C2(C(=O)[O-])CCCCC2)ccc1F ZINC000191302482 959551017 /nfs/dbraw/zinc/55/10/17/959551017.db2.gz RBQVMPIVIRAYKX-UHFFFAOYSA-N -1 0 339.432 3.548 20 0 EHADRM Cc1ccc(OCC(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1C ZINC000191400531 959558869 /nfs/dbraw/zinc/55/88/69/959558869.db2.gz ACOILCUNJQNDAI-OAHLLOKOSA-N -1 0 341.407 3.584 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1)c1cccc(F)c1 ZINC000191422735 959565604 /nfs/dbraw/zinc/56/56/04/959565604.db2.gz IBOFXIQUYKLOEZ-QWHCGFSZSA-N -1 0 329.371 3.831 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)[C@@H](C)c2cccc(F)c2)cc1)C(=O)[O-] ZINC000191422719 959566599 /nfs/dbraw/zinc/56/65/99/959566599.db2.gz IBOFXIQUYKLOEZ-OLZOCXBDSA-N -1 0 329.371 3.831 20 0 EHADRM C[C@H](C(=O)NCC1(C(=O)[O-])CCCCC1)c1cc2ccccc2o1 ZINC000191501971 959574459 /nfs/dbraw/zinc/57/44/59/959574459.db2.gz YBKPHVKZBQTCSF-ZDUSSCGKSA-N -1 0 329.396 3.688 20 0 EHADRM O=C([O-])c1coc(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)c1 ZINC000191569490 959582878 /nfs/dbraw/zinc/58/28/78/959582878.db2.gz BWPUAAXTRZYEOC-UHFFFAOYSA-N -1 0 342.282 3.557 20 0 EHADRM CC[C@@H](C(=O)Nc1ccc(C)c(C(=O)[O-])c1)c1ccc(OC)cc1 ZINC000192891624 959595241 /nfs/dbraw/zinc/59/52/41/959595241.db2.gz GAHYXYSMQIOVCR-MRXNPFEDSA-N -1 0 327.380 3.834 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CC2(CCCC2)c2cccc(F)c21 ZINC001588631460 959618131 /nfs/dbraw/zinc/61/81/31/959618131.db2.gz LFPAAXCGLYHXCP-AWEZNQCLSA-N -1 0 333.403 3.731 20 0 EHADRM Cc1c2cccc(Cl)c2[nH]c1-c1nc(C2(C(=O)[O-])CCC2)no1 ZINC001594254144 959639918 /nfs/dbraw/zinc/63/99/18/959639918.db2.gz SIODVWPRTSNYRF-UHFFFAOYSA-N -1 0 331.759 3.686 20 0 EHADRM Cc1c2nc(NC(=O)/C=C/c3ccc(C(=O)[O-])o3)sc2ccc1F ZINC001594262669 959710509 /nfs/dbraw/zinc/71/05/09/959710509.db2.gz QRYIXCDNMWYGQV-XVNBXDOJSA-N -1 0 346.339 3.687 20 0 EHADRM Cc1c(Cl)cc(NC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)cc1Cl ZINC001594263150 959718793 /nfs/dbraw/zinc/71/87/93/959718793.db2.gz YDRLBUFENKJHLR-GXSJLCMTSA-N -1 0 346.210 3.510 20 0 EHADRM CC1(C)CN(C(=O)NCc2ccccc2C(=O)[O-])[C@H]1c1ccccc1 ZINC001573676407 959728533 /nfs/dbraw/zinc/72/85/33/959728533.db2.gz XMFMSSQQDFIWNF-KRWDZBQOSA-N -1 0 338.407 3.678 20 0 EHADRM CCCCCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000214190973 959729780 /nfs/dbraw/zinc/72/97/80/959729780.db2.gz RQUMERZGMVCZSD-QGZVFWFLSA-N -1 0 330.428 3.640 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)[C@]1(C)CCCc2ccccc21)C(=O)[O-] ZINC001588645612 959734415 /nfs/dbraw/zinc/73/44/15/959734415.db2.gz QKAGCWXWMQETCB-OXJNMPFZSA-N -1 0 331.456 3.676 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)C1(c2cccc(F)c2)CCC1)C(=O)[O-] ZINC001588645609 959734884 /nfs/dbraw/zinc/73/48/84/959734884.db2.gz QIZBFCVEHTXVES-HNNXBMFYSA-N -1 0 335.419 3.643 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)[C@@H]1C[C@]12CCCc1ccccc12)C(=O)[O-] ZINC001588646658 959740362 /nfs/dbraw/zinc/74/03/62/959740362.db2.gz YBAJLBIGDVAVNG-FIKGOQFSSA-N -1 0 343.467 3.676 20 0 EHADRM Cc1c(NCC(C)(C)C)cccc1C(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC001594266581 959742893 /nfs/dbraw/zinc/74/28/93/959742893.db2.gz JFMOILJBVCGGGF-MLGOLLRUSA-N -1 0 332.444 3.531 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)c1ccn(Cc2ccccc2)c1)C(=O)[O-] ZINC001588649395 959752237 /nfs/dbraw/zinc/75/22/37/959752237.db2.gz TZCRZKJUAQXJRM-QGZVFWFLSA-N -1 0 342.439 3.546 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)CCSc1ccc(F)cc1)C(=O)[O-] ZINC001588650306 959759307 /nfs/dbraw/zinc/75/93/07/959759307.db2.gz GPZDGJHQGXONRR-CQSZACIVSA-N -1 0 341.448 3.704 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)Nc1cccc2cccnc21)C(=O)[O-] ZINC001588650568 959762859 /nfs/dbraw/zinc/76/28/59/959762859.db2.gz LWHVWNACINXVPS-CQSZACIVSA-N -1 0 329.400 3.636 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)CCc1cccc(C(F)(F)F)c1 ZINC001588652572 959779414 /nfs/dbraw/zinc/77/94/14/959779414.db2.gz KJPPXZREVMJYER-UHFFFAOYSA-N -1 0 345.361 3.597 20 0 EHADRM C[C@@H]1CCCN(C(=O)/C=C\c2ccc(C(C)(C)C)cc2)[C@@H]1C(=O)[O-] ZINC001573723202 959883867 /nfs/dbraw/zinc/88/38/67/959883867.db2.gz PFUMRSQERKGOIU-QOZRHJFISA-N -1 0 329.440 3.709 20 0 EHADRM Cc1ccc(F)cc1COc1cn(-c2ccccc2)nc1C(=O)[O-] ZINC000392386212 972478639 /nfs/dbraw/zinc/47/86/39/972478639.db2.gz IXGZRHGMHPWMBB-UHFFFAOYSA-N -1 0 326.327 3.597 20 0 EHADRM O=C([O-])c1coc(COc2cc(Cl)c(Cl)cc2[N+](=O)[O-])c1 ZINC000231638550 960197811 /nfs/dbraw/zinc/19/78/11/960197811.db2.gz QPYIRWATIIHYHD-UHFFFAOYSA-N -1 0 332.095 3.772 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CNc1ccc(Br)cc1F ZINC000232431643 960269464 /nfs/dbraw/zinc/26/94/64/960269464.db2.gz LRMZHDJWTVARHC-UHFFFAOYSA-N -1 0 328.137 3.800 20 0 EHADRM COc1ccc2c(c1)[C@H](C(=O)OCc1ccc(C(=O)[O-])cc1)CCC2 ZINC001574226479 960400410 /nfs/dbraw/zinc/40/04/10/960400410.db2.gz ZFCRHCMJGGHPPK-QGZVFWFLSA-N -1 0 340.375 3.557 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC001588653988 960405441 /nfs/dbraw/zinc/40/54/41/960405441.db2.gz NVYLWTCGQLVZKW-UHFFFAOYSA-N -1 0 342.439 3.620 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)c1ccc(OC2CCCC2)cc1 ZINC001588654140 960407563 /nfs/dbraw/zinc/40/75/63/960407563.db2.gz VWUQPIKRSPXGFU-UHFFFAOYSA-N -1 0 333.428 3.581 20 0 EHADRM COc1cccc2c1CC[C@@H]2OC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001574232615 960418350 /nfs/dbraw/zinc/41/83/50/960418350.db2.gz KQOAXCAIMIKZQS-INIZCTEOSA-N -1 0 332.396 3.651 20 0 EHADRM CN(C(=O)c1cc(C(F)(F)F)ccc1F)C1(C(=O)[O-])CCCCC1 ZINC000392691478 972510143 /nfs/dbraw/zinc/51/01/43/972510143.db2.gz YTGBIALSORRCCQ-UHFFFAOYSA-N -1 0 347.308 3.704 20 0 EHADRM CN(CC(=O)[O-])C(=O)C1(c2ccc(Cl)cc2Cl)CCCCC1 ZINC001604102757 972510178 /nfs/dbraw/zinc/51/01/78/972510178.db2.gz IPSRSGBVWAAUJG-UHFFFAOYSA-N -1 0 344.238 3.738 20 0 EHADRM CSc1ccccc1NC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001574257780 960549295 /nfs/dbraw/zinc/54/92/95/960549295.db2.gz PWUINFFEHLLABU-SFHVURJKSA-N -1 0 344.436 3.573 20 0 EHADRM CSc1ccccc1[C@H](C)OC(=O)C1(C(=O)[O-])CCSCC1 ZINC001574258180 960555172 /nfs/dbraw/zinc/55/51/72/960555172.db2.gz XZPRRWJSKNXQNC-NSHDSACASA-N -1 0 340.466 3.611 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000236452265 960623686 /nfs/dbraw/zinc/62/36/86/960623686.db2.gz POMJGQWWEWDMGW-JGVFFNPUSA-N -1 0 346.608 3.542 20 0 EHADRM CC[C@@](C)(NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccc(F)cc1 ZINC001573770284 960660735 /nfs/dbraw/zinc/66/07/35/960660735.db2.gz OIWWNTYAHMENCG-LECLMCCNSA-N -1 0 331.343 3.572 20 0 EHADRM Cc1c(Cl)cccc1C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001574297848 960703996 /nfs/dbraw/zinc/70/39/96/960703996.db2.gz JJZYTVCPAWJHCS-GOEBONIOSA-N -1 0 329.783 3.691 20 0 EHADRM CCC(CC)(CNC(=O)N1CC=C(c2cccc(C)c2)CC1)C(=O)[O-] ZINC001573783970 960726126 /nfs/dbraw/zinc/72/61/26/960726126.db2.gz VZPMLMZSAZXSJS-UHFFFAOYSA-N -1 0 344.455 3.685 20 0 EHADRM C[C@@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1nc(C(C)(C)C)cs1 ZINC001261844054 960771071 /nfs/dbraw/zinc/77/10/71/960771071.db2.gz ZVJKJIAMFQMHDM-QEHWCHDUSA-N -1 0 348.424 3.622 20 0 EHADRM CCC[C@](C)(NC(=O)c1cccc(OCc2cccs2)c1)C(=O)[O-] ZINC000236844616 960772794 /nfs/dbraw/zinc/77/27/94/960772794.db2.gz JXCAALOGUYSYQW-SFHVURJKSA-N -1 0 347.436 3.700 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N(C)c2nc3ccccc3s2)c1 ZINC001574314846 960776221 /nfs/dbraw/zinc/77/62/21/960776221.db2.gz CFTRTMIANGPOQZ-UHFFFAOYSA-N -1 0 326.377 3.580 20 0 EHADRM CCC[C@@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000236872663 960785405 /nfs/dbraw/zinc/78/54/05/960785405.db2.gz IBLSJDGVEAONSC-IAGOWNOFSA-N -1 0 343.448 3.890 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)C[C@H](C)c1ccccc1C(F)(F)F ZINC000236900192 960793159 /nfs/dbraw/zinc/79/31/59/960793159.db2.gz AHAUNQUEBRPXSH-RYUDHWBXSA-N -1 0 345.361 3.911 20 0 EHADRM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(C(=O)[O-])o1 ZINC000236927581 960800503 /nfs/dbraw/zinc/80/05/03/960800503.db2.gz FPPSPLOSIUVKIY-UHFFFAOYSA-N -1 0 342.178 3.947 20 0 EHADRM CCC[C@@](C)(NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000236955162 960811581 /nfs/dbraw/zinc/81/15/81/960811581.db2.gz WGVYCIIKJBDSFN-MEDUHNTESA-N -1 0 345.361 3.959 20 0 EHADRM CCC(CC)[C@H](NC(=O)NC[C@H](CC)C(=O)[O-])c1cccs1 ZINC001573799464 960812519 /nfs/dbraw/zinc/81/25/19/960812519.db2.gz KVUMTQSTZVXYPQ-JSGCOSHPSA-N -1 0 326.462 3.635 20 0 EHADRM Cc1cc(C(C)(C)C)ccc1OCCCC(=O)N[C@@H](C(=O)[O-])C(C)C ZINC001574319145 960812710 /nfs/dbraw/zinc/81/27/10/960812710.db2.gz HAXHHYYRCJPFDY-GOSISDBHSA-N -1 0 349.471 3.677 20 0 EHADRM CCC[C@@](C)(NC(=O)c1cc(C)n(C2CCCCC2)c1C)C(=O)[O-] ZINC000236975279 960820291 /nfs/dbraw/zinc/82/02/91/960820291.db2.gz ONTCCXUIDLONTM-LJQANCHMSA-N -1 0 334.460 3.983 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)/C=C/c1cc(C)n(C2CCCCC2)c1C ZINC000237057315 960857707 /nfs/dbraw/zinc/85/77/07/960857707.db2.gz FVLKLOKBTMSVHV-ZHACJKMWSA-N -1 0 346.471 3.947 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1ccc(Cl)cc1Cl ZINC000237058072 960860260 /nfs/dbraw/zinc/86/02/60/960860260.db2.gz DUQRVSZBLQJXLU-UHFFFAOYSA-N -1 0 338.190 3.964 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000237107870 960872215 /nfs/dbraw/zinc/87/22/15/960872215.db2.gz XEJUVAACUKTDNT-MGPLVRAMSA-N -1 0 346.254 3.932 20 0 EHADRM CN(Cc1ccccc1-c1ccccc1)C(=O)c1ccc(C(=O)[O-])o1 ZINC000237174399 960883720 /nfs/dbraw/zinc/88/37/20/960883720.db2.gz YZVDMBASAUTUSM-UHFFFAOYSA-N -1 0 335.359 3.917 20 0 EHADRM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cccc(C(=O)[O-])c1 ZINC000237266702 960896991 /nfs/dbraw/zinc/89/69/91/960896991.db2.gz LXMMNCBSFLIOJR-UHFFFAOYSA-N -1 0 337.297 3.676 20 0 EHADRM COc1ccc2oc(C(=O)Nc3ccc(C(=O)[O-])cc3)c(C)c2c1 ZINC000237311349 960906560 /nfs/dbraw/zinc/90/65/60/960906560.db2.gz PUSHTEYIJHFBSH-UHFFFAOYSA-N -1 0 325.320 3.700 20 0 EHADRM COc1ccc2oc(C)c(C(=O)Nc3ccc(C(=O)[O-])cc3)c2c1 ZINC000237315939 960909122 /nfs/dbraw/zinc/90/91/22/960909122.db2.gz MNXOYJUNRPRBHL-UHFFFAOYSA-N -1 0 325.320 3.700 20 0 EHADRM COc1ccc2oc(C)c(C(=O)Nc3cc(C(=O)[O-])ccc3F)c2c1 ZINC000237315696 960909472 /nfs/dbraw/zinc/90/94/72/960909472.db2.gz FYKBXMCGTXYLST-UHFFFAOYSA-N -1 0 343.310 3.839 20 0 EHADRM Cc1cc(NC(=O)N2CCC([C@@H]3CCCCO3)CC2)ccc1C(=O)[O-] ZINC001574337824 960910797 /nfs/dbraw/zinc/91/07/97/960910797.db2.gz LIBKLCUVOCIMTB-KRWDZBQOSA-N -1 0 346.427 3.506 20 0 EHADRM CCN(Cc1ccccc1F)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001263637024 960912402 /nfs/dbraw/zinc/91/24/02/960912402.db2.gz CIQKNISZJCHHTL-UHFFFAOYSA-N -1 0 329.371 3.505 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N(C)Cc1ccc(F)cc1)C(=O)[O-] ZINC000237366587 960917917 /nfs/dbraw/zinc/91/79/17/960917917.db2.gz VPKCSUZALQOQNH-GFCCVEGCSA-N -1 0 347.411 3.663 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N(C)Cc1ccccc1F)C(=O)[O-] ZINC000237367005 960919374 /nfs/dbraw/zinc/91/93/74/960919374.db2.gz VLAONBFIBBPPFB-GFCCVEGCSA-N -1 0 347.411 3.663 20 0 EHADRM Cc1cc(NC(=O)NCC2CCC(F)(F)CC2)ccc1C(=O)[O-] ZINC001574338358 960925466 /nfs/dbraw/zinc/92/54/66/960925466.db2.gz PMSXKRVQYYMYLB-UHFFFAOYSA-N -1 0 326.343 3.640 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)CCc2cccc(F)c2F)cc1 ZINC001319406241 960944207 /nfs/dbraw/zinc/94/42/07/960944207.db2.gz CWQRQPAHLNIVCU-INIZCTEOSA-N -1 0 347.361 3.538 20 0 EHADRM Cc1cc(OC(C)C)ccc1NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001574343446 960952366 /nfs/dbraw/zinc/95/23/66/960952366.db2.gz WSJCEAJBDGWZBG-ALCCZGGFSA-N -1 0 329.352 3.725 20 0 EHADRM C[C@@H]1CC[C@@H](CCC(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)O1 ZINC000237533469 960955246 /nfs/dbraw/zinc/95/52/46/960955246.db2.gz DIVRTNUKFDKKPO-MFKMUULPSA-N -1 0 333.409 3.886 20 0 EHADRM Cc1ccc(F)c(NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])c1 ZINC000237563106 960962870 /nfs/dbraw/zinc/96/28/70/960962870.db2.gz RSUQYHSBRJMSBL-NSHDSACASA-N -1 0 333.384 3.952 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1nc(C(C)(C)C)cs1 ZINC000237596217 960969383 /nfs/dbraw/zinc/96/93/83/960969383.db2.gz CHTYWEMMXZLTJK-JTQLQIEISA-N -1 0 332.425 3.630 20 0 EHADRM Cc1ccc(NC(=O)Cc2coc(-c3ccccc3)n2)c(C(=O)[O-])c1 ZINC000237686906 960995308 /nfs/dbraw/zinc/99/53/08/960995308.db2.gz GZHPTCLATDFVEJ-UHFFFAOYSA-N -1 0 336.347 3.529 20 0 EHADRM Cc1sc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])cc1-c1ccc(F)cc1 ZINC000237700517 960999254 /nfs/dbraw/zinc/99/92/54/960999254.db2.gz NMXKSEQAFUTRLO-DZGCQCFKSA-N -1 0 347.411 3.846 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)cc1C(=O)[O-] ZINC000237695893 961000099 /nfs/dbraw/zinc/00/00/99/961000099.db2.gz HFFFNGAKNGQNEM-CHWSQXEVSA-N -1 0 331.318 3.714 20 0 EHADRM Cc1ccc(C(C)C)c(OCCC(=O)Nc2ccc(C(=O)[O-])cn2)c1 ZINC001574357310 961007432 /nfs/dbraw/zinc/00/74/32/961007432.db2.gz MZZLLCJEFMWUMR-UHFFFAOYSA-N -1 0 342.395 3.619 20 0 EHADRM Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000237757013 961016087 /nfs/dbraw/zinc/01/60/87/961016087.db2.gz YGKBYUGYIUMZQJ-UHFFFAOYSA-N -1 0 334.375 3.731 20 0 EHADRM CCCCC[C@H](NC(=O)c1ccc2cc(OC)ccc2c1)C(=O)[O-] ZINC001323492470 961020092 /nfs/dbraw/zinc/02/00/92/961020092.db2.gz SLCJKVBMABHKFV-KRWDZBQOSA-N -1 0 329.396 3.612 20 0 EHADRM Cc1ccc([C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)C2(C)C)cc1 ZINC001574360484 961023834 /nfs/dbraw/zinc/02/38/34/961023834.db2.gz AQRDXGAHEYPJQF-BBWFWOEESA-N -1 0 329.440 3.590 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001324182837 961027324 /nfs/dbraw/zinc/02/73/24/961027324.db2.gz BHONJBZNBVDVBX-QXMHVHEDSA-N -1 0 325.364 3.744 20 0 EHADRM Cc1cc2occ(CC(=O)NCc3ccc(C(=O)[O-])cc3)c2cc1C ZINC000237915809 961039355 /nfs/dbraw/zinc/03/93/55/961039355.db2.gz ZGIZAMRFLAIXLA-UHFFFAOYSA-N -1 0 337.375 3.607 20 0 EHADRM CC(C)c1oc(-c2ccccc2)nc1C(=O)NCCCCCC(=O)[O-] ZINC001326171773 961074451 /nfs/dbraw/zinc/07/44/51/961074451.db2.gz ICBOJBNKTDNDHN-UHFFFAOYSA-N -1 0 344.411 3.840 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2cc(F)c(F)cc2Cl)c1 ZINC000238105833 961098419 /nfs/dbraw/zinc/09/84/19/961098419.db2.gz QXDXOFOTFNSUFD-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM CCCCc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001573848956 961117256 /nfs/dbraw/zinc/11/72/56/961117256.db2.gz WYLISCHZNIYOLE-QGZVFWFLSA-N -1 0 329.371 3.724 20 0 EHADRM Cc1ccc2cc(Cl)cc(C(=O)Nc3cc(C(=O)[O-])ccn3)c2n1 ZINC001574383071 961122754 /nfs/dbraw/zinc/12/27/54/961122754.db2.gz CBASJSILBUYMFJ-UHFFFAOYSA-N -1 0 341.754 3.542 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCc1cccc(Cl)c1)c1cccs1 ZINC000238210519 961163935 /nfs/dbraw/zinc/16/39/35/961163935.db2.gz ZZWIOCWGANHSKA-ZDUSSCGKSA-N -1 0 337.828 3.666 20 0 EHADRM CCCSc1cccc(NC(=O)NCc2cccc(C(=O)[O-])c2)n1 ZINC001573864318 961183771 /nfs/dbraw/zinc/18/37/71/961183771.db2.gz CYGIPQIJLUBZDL-UHFFFAOYSA-N -1 0 345.424 3.604 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)Nc2ccc(SC(F)(F)F)cc2)C1 ZINC001328715819 961220214 /nfs/dbraw/zinc/22/02/14/961220214.db2.gz ZYMDQSJUVKVWPK-ZDUSSCGKSA-N -1 0 348.346 3.627 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cccc([C@H]3CCCOC3)c2)ccc1F ZINC001328763006 961227390 /nfs/dbraw/zinc/22/73/90/961227390.db2.gz PWPKTVYAWNTPRV-AWEZNQCLSA-N -1 0 343.354 3.670 20 0 EHADRM Cc1ccccc1[C@H](C)N(CC(C)C)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001574401682 961235159 /nfs/dbraw/zinc/23/51/59/961235159.db2.gz ORFJVZUBDUQWGV-HRCADAONSA-N -1 0 332.444 3.587 20 0 EHADRM CC(C)(CCNC(=O)CC1(CSc2ccccc2)CC1)C(=O)[O-] ZINC001588770448 961261385 /nfs/dbraw/zinc/26/13/85/961261385.db2.gz YRCJMBAWJDYTRZ-UHFFFAOYSA-N -1 0 335.469 3.566 20 0 EHADRM CCN(CC)c1ccc(NC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)cc1 ZINC001573879642 961267948 /nfs/dbraw/zinc/26/79/48/961267948.db2.gz MRQSZPUACVWBGH-UHFFFAOYSA-N -1 0 332.444 3.608 20 0 EHADRM Cc1ccoc1C(=O)Nc1sc2c(c1C(=O)[O-])C[C@@H](C)O[C@H]2C ZINC001574411423 961296982 /nfs/dbraw/zinc/29/69/82/961296982.db2.gz ZLZWTBBTFIWVON-BDAKNGLRSA-N -1 0 335.381 3.622 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000261741489 961391190 /nfs/dbraw/zinc/39/11/90/961391190.db2.gz SWVAQXQRMOCRKN-ZIAGYGMSSA-N -1 0 343.345 3.712 20 0 EHADRM C[C@]12CC3CC(C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])(C1)C[C@@](C)(C3)C2 ZINC000261796624 961392547 /nfs/dbraw/zinc/39/25/47/961392547.db2.gz ZOGRGCMEAYMDBL-DRGZLASVSA-N -1 0 347.377 3.505 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N2CCC[C@H]2c2ccccc2Cl)c1 ZINC000262072070 961431972 /nfs/dbraw/zinc/43/19/72/961431972.db2.gz ALMXXLPDZCFGGA-KRWDZBQOSA-N -1 0 343.810 3.944 20 0 EHADRM Cc1ccc(C)c([C@@H]2CCCN2C(=O)Cc2cccc(C(=O)[O-])c2)c1 ZINC000262083800 961443455 /nfs/dbraw/zinc/44/34/55/961443455.db2.gz FQXKISMAFVZATP-IBGZPJMESA-N -1 0 337.419 3.908 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000262138173 961491612 /nfs/dbraw/zinc/49/16/12/961491612.db2.gz LOOYFOONWFPXBC-UIBIWLFHSA-N -1 0 329.440 3.662 20 0 EHADRM C[C@@H](NC(=O)CCc1ccccc1C(=O)[O-])C(C)(C)c1ccccc1 ZINC000262183780 961529944 /nfs/dbraw/zinc/52/99/44/961529944.db2.gz QHFOYKBWUFZMGZ-OAHLLOKOSA-N -1 0 339.435 3.800 20 0 EHADRM CCOc1cc(Cl)ccc1NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001573920343 961530705 /nfs/dbraw/zinc/53/07/05/961530705.db2.gz LOAVENKIYAZKHT-YVMONPNESA-N -1 0 335.743 3.682 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000262191734 961537928 /nfs/dbraw/zinc/53/79/28/961537928.db2.gz NKYPIESJVUBYDP-HNAYVOBHSA-N -1 0 337.419 3.699 20 0 EHADRM CC[C@@H](NC(=O)CCc1ccccc1C(=O)[O-])c1ccc(F)cc1F ZINC000262274019 961610910 /nfs/dbraw/zinc/61/09/10/961610910.db2.gz YMEBYNKCIBDZIT-QGZVFWFLSA-N -1 0 347.361 3.863 20 0 EHADRM CC(C)[C@@H](CNC(=O)N1CCC[C@@H]1CCCc1ccccc1)C(=O)[O-] ZINC001588822232 961636072 /nfs/dbraw/zinc/63/60/72/961636072.db2.gz GFNWVDGIVDSWEG-ZWKOTPCHSA-N -1 0 346.471 3.540 20 0 EHADRM Cc1ccc([C@@H](NC(=O)c2ccc(C(=O)[O-])cc2F)C2CC2)cc1 ZINC000262311813 961636617 /nfs/dbraw/zinc/63/66/17/961636617.db2.gz BOPWGSWPZSXYNQ-QGZVFWFLSA-N -1 0 327.355 3.713 20 0 EHADRM CCc1ccc2c(c1)[C@@H](NC(=O)c1cc(C)cc(C(=O)[O-])c1)CCO2 ZINC001573956718 961675720 /nfs/dbraw/zinc/67/57/20/961675720.db2.gz ONPFOFFUBNPJHT-KRWDZBQOSA-N -1 0 339.391 3.509 20 0 EHADRM O=C([O-])CC1CCN(C(=O)CSc2ccc3ccccc3c2)CC1 ZINC000262369243 961676373 /nfs/dbraw/zinc/67/63/73/961676373.db2.gz AMEZHFKOKWSRTO-UHFFFAOYSA-N -1 0 343.448 3.645 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000262432757 961718134 /nfs/dbraw/zinc/71/81/34/961718134.db2.gz SSAOHJJOPXSSIF-SFHVURJKSA-N -1 0 341.407 3.808 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCC2(c3ccc(F)cc3)CCC2)c(F)c1 ZINC000262459404 961734629 /nfs/dbraw/zinc/73/46/29/961734629.db2.gz VRCWPSQPFNZYGL-UHFFFAOYSA-N -1 0 345.345 3.515 20 0 EHADRM Cc1cc(C(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)c(C)n1C(C)C ZINC000262520669 961758828 /nfs/dbraw/zinc/75/88/28/961758828.db2.gz QOZLRGFXMZQAMN-UHFFFAOYSA-N -1 0 332.400 3.558 20 0 EHADRM CC[C@@H](Oc1ccccc1F)C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000262527298 961760947 /nfs/dbraw/zinc/76/09/47/961760947.db2.gz OVXYKDDRMAFJQQ-MRXNPFEDSA-N -1 0 345.370 3.937 20 0 EHADRM COc1ccc(CCCC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC000262536642 961764117 /nfs/dbraw/zinc/76/41/17/961764117.db2.gz QKOUJNZAYLYNGF-UHFFFAOYSA-N -1 0 341.407 3.972 20 0 EHADRM CC(C)[C@H]1CCc2nc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)sc2C1 ZINC001588840460 961789290 /nfs/dbraw/zinc/78/92/90/961789290.db2.gz HKNDBAKGEPYRGJ-GWCFXTLKSA-N -1 0 338.473 3.589 20 0 EHADRM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262688940 961808497 /nfs/dbraw/zinc/80/84/97/961808497.db2.gz DKKKTPIJQURIMM-XUXIUFHCSA-N -1 0 333.403 3.551 20 0 EHADRM CCn1c(C)cc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1C ZINC000262716303 961822318 /nfs/dbraw/zinc/82/23/18/961822318.db2.gz CUWXAHYYOMIXNZ-LBPRGKRZSA-N -1 0 328.412 3.640 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000262718409 961823760 /nfs/dbraw/zinc/82/37/60/961823760.db2.gz ONJKPYPEWRYRJV-TVFCKZIOSA-N -1 0 329.440 3.720 20 0 EHADRM CC(C)[C@@H]1N(C(=O)Nc2cccc(CC(=O)[O-])c2)CC12CC=CC2 ZINC001588842780 961828890 /nfs/dbraw/zinc/82/88/90/961828890.db2.gz OECRNPZVZOUONJ-KRWDZBQOSA-N -1 0 328.412 3.522 20 0 EHADRM CC(C)[C@@H]1N(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC12CC=CC2 ZINC001588843029 961834419 /nfs/dbraw/zinc/83/44/19/961834419.db2.gz WOXOCBYTBHLIAT-JONQDZQNSA-N -1 0 348.487 3.508 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC000262747490 961845722 /nfs/dbraw/zinc/84/57/22/961845722.db2.gz ASOHECBNOLNXCY-SNVBAGLBSA-N -1 0 347.308 3.562 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)CC2CCC(c3ccccc3)CC2)C1 ZINC000262750634 961847315 /nfs/dbraw/zinc/84/73/15/961847315.db2.gz XZTWIHVDSGOAAL-SYNTWQANSA-N -1 0 329.440 3.720 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3S2)cc1)C(=O)[O-] ZINC000262768432 961857383 /nfs/dbraw/zinc/85/73/83/961857383.db2.gz LDLSKELKICQRQT-PXAZEXFGSA-N -1 0 341.432 3.605 20 0 EHADRM Cc1ccc(CCCC(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)s1 ZINC000262777034 961861737 /nfs/dbraw/zinc/86/17/37/961861737.db2.gz ATLYQEBDCJSTAY-INIZCTEOSA-N -1 0 349.427 3.503 20 0 EHADRM Cc1cccc2c(CCC(=O)N[C@@]3(C)CCCC[C@H]3C(=O)[O-])c[nH]c21 ZINC000262845260 961911941 /nfs/dbraw/zinc/91/19/41/961911941.db2.gz SPMJKWHURMGFEO-JXFKEZNVSA-N -1 0 342.439 3.559 20 0 EHADRM O=C([O-])CC1CCN(c2nc(-c3ccccc3)nc3ccccc32)CC1 ZINC001335373912 961918050 /nfs/dbraw/zinc/91/80/50/961918050.db2.gz GIGXTRCRGCRHCQ-UHFFFAOYSA-N -1 0 347.418 3.988 20 0 EHADRM CC(C)C[C@@H](CNC(=O)NC1(Cc2ccccc2)CCCC1)C(=O)[O-] ZINC001588852803 961948331 /nfs/dbraw/zinc/94/83/31/961948331.db2.gz PRRUQTRCGOKPRY-KRWDZBQOSA-N -1 0 346.471 3.588 20 0 EHADRM O=C([O-])C1(NC(=O)c2ccc(N3CCCCCC3)cc2)CCCCC1 ZINC001574549637 961968582 /nfs/dbraw/zinc/96/85/82/961968582.db2.gz KCHSNWCDTDMOGN-UHFFFAOYSA-N -1 0 344.455 3.584 20 0 EHADRM Cc1cc(C(=O)N(C)[C@H](C)C(=O)[O-])sc1-c1cccc(Cl)c1 ZINC000262895755 961970507 /nfs/dbraw/zinc/97/05/07/961970507.db2.gz OVJCWFWDAATASA-SNVBAGLBSA-N -1 0 337.828 3.922 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000262967634 962052797 /nfs/dbraw/zinc/05/27/97/962052797.db2.gz MLXIWBPTWGMBDM-JOYOIKCWSA-N -1 0 335.400 3.532 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)NCc2cccc(F)c2)c1Cl ZINC001574577112 962082298 /nfs/dbraw/zinc/08/22/98/962082298.db2.gz SUEGCFNVONGPQI-UHFFFAOYSA-N -1 0 340.713 3.638 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC000263027173 962139125 /nfs/dbraw/zinc/13/91/25/962139125.db2.gz UOUSJYPBQYAWTQ-LBPRGKRZSA-N -1 0 343.379 3.534 20 0 EHADRM CC(C)[C@@H](C(=O)NCCC(C)(C)C(=O)[O-])c1cccc(Cl)c1 ZINC000263030093 962142585 /nfs/dbraw/zinc/14/25/85/962142585.db2.gz OMTUDSVIATZONX-CQSZACIVSA-N -1 0 325.836 3.697 20 0 EHADRM CC(C)C[C@@H](NC(=O)Nc1ccc(-c2ccco2)cc1F)C(=O)[O-] ZINC001588883104 962162297 /nfs/dbraw/zinc/16/22/97/962162297.db2.gz PKMVYQSWFYPWRF-CQSZACIVSA-N -1 0 334.347 3.707 20 0 EHADRM Cc1cc(C)cc([C@H](NC(=O)CSCc2cccs2)C(=O)[O-])c1 ZINC001344493143 962178529 /nfs/dbraw/zinc/17/85/29/962178529.db2.gz NYEBBWATHPFYRQ-INIZCTEOSA-N -1 0 349.477 3.540 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001574607929 962180554 /nfs/dbraw/zinc/18/05/54/962180554.db2.gz XEXBNYQLWDYHCY-HUUCEWRRSA-N -1 0 339.395 3.628 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)c2cccc(Oc3ccccc3)c2)C1 ZINC000263051847 962185052 /nfs/dbraw/zinc/18/50/52/962185052.db2.gz DZWDRBKHFXQOCD-FQEVSTJZSA-N -1 0 339.391 3.806 20 0 EHADRM CSc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)c(Cl)cc1Cl ZINC000263057470 962193111 /nfs/dbraw/zinc/19/31/11/962193111.db2.gz AXYBQAPCKRCNRY-YUMQZZPRSA-N -1 0 348.251 3.651 20 0 EHADRM Cc1sc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)cc1-c1ccc(F)cc1 ZINC000263057477 962193775 /nfs/dbraw/zinc/19/37/75/962193775.db2.gz AYAYGTQIHMLUFJ-IINYFYTJSA-N -1 0 347.411 3.798 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)CCCc2ccc3ccccc3c2)C1 ZINC000263104791 962257085 /nfs/dbraw/zinc/25/70/85/962257085.db2.gz WTMNJOMDHWLLQU-NRFANRHFSA-N -1 0 339.435 3.876 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC001588906323 962281038 /nfs/dbraw/zinc/28/10/38/962281038.db2.gz YPFJWWLKIBNSAT-UHFFFAOYSA-N -1 0 331.456 3.721 20 0 EHADRM C[C@H]1CN(C(=O)C2(c3cccc(Cl)c3)CCCC2)CC[C@H]1C(=O)[O-] ZINC000263155452 962308493 /nfs/dbraw/zinc/30/84/93/962308493.db2.gz ZKGIIBNXLNWVBM-XJKSGUPXSA-N -1 0 349.858 3.721 20 0 EHADRM CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCCCCC(=O)[O-] ZINC000263179370 962334847 /nfs/dbraw/zinc/33/48/47/962334847.db2.gz REECWNFOBGJTGG-ZDUSSCGKSA-N -1 0 345.361 3.645 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2ccc(OCC3CC3)cc2)c1 ZINC000263198443 962353216 /nfs/dbraw/zinc/35/32/16/962353216.db2.gz JNUVYFLSNJYGIE-CYBMUJFWSA-N -1 0 339.391 3.916 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2nc(-c3ccccc3F)cs2)CC=CCC1 ZINC001574641431 962356944 /nfs/dbraw/zinc/35/69/44/962356944.db2.gz VOVJIBQACSYYQH-KRWDZBQOSA-N -1 0 346.383 3.699 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1F ZINC000263224239 962375420 /nfs/dbraw/zinc/37/54/20/962375420.db2.gz PRVIIYZSDDMEBP-GHMZBOCLSA-N -1 0 347.308 3.760 20 0 EHADRM COc1c(C)cc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1C ZINC000263233859 962382688 /nfs/dbraw/zinc/38/26/88/962382688.db2.gz CEQUUKDZPKMEOX-UHFFFAOYSA-N -1 0 327.380 3.879 20 0 EHADRM CC(C)Oc1c(NC(=O)c2cc[nH]c2C(C)C)cccc1C(=O)[O-] ZINC001347575288 962407315 /nfs/dbraw/zinc/40/73/15/962407315.db2.gz NAPSQIHWQHOBLI-UHFFFAOYSA-N -1 0 330.384 3.876 20 0 EHADRM C[C@@]1(NC(=O)CC2CC(c3ccccc3)C2)CCCC[C@H]1C(=O)[O-] ZINC000263299605 962442084 /nfs/dbraw/zinc/44/20/84/962442084.db2.gz CYRNFESFQKRZHD-UMECUKIZSA-N -1 0 329.440 3.720 20 0 EHADRM O=C([O-])CCCCC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000263312901 962453983 /nfs/dbraw/zinc/45/39/83/962453983.db2.gz PNMACZFIBGZPHQ-UHFFFAOYSA-N -1 0 343.345 3.846 20 0 EHADRM COc1c(C)cc(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cc1C ZINC000263322593 962465648 /nfs/dbraw/zinc/46/56/48/962465648.db2.gz NYQREBHPMFDHCC-CYBMUJFWSA-N -1 0 327.380 3.752 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccc(COc3ccccc3)cc2)C1 ZINC000263337340 962485950 /nfs/dbraw/zinc/48/59/50/962485950.db2.gz RCAAFICMAXFBHC-JKSUJKDBSA-N -1 0 339.391 3.705 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCC(c3ccsc3)CC2)c1 ZINC000263344070 962496872 /nfs/dbraw/zinc/49/68/72/962496872.db2.gz SUWBCTLNQHSWMP-UHFFFAOYSA-N -1 0 329.421 3.775 20 0 EHADRM CCOc1cccc2cc([C@H](C)NC(=O)[C@@H]3CC[C@H](C(=O)[O-])C3)oc21 ZINC000263353643 962507307 /nfs/dbraw/zinc/50/73/07/962507307.db2.gz WHFMFJPMXMJBIF-YUTCNCBUSA-N -1 0 345.395 3.510 20 0 EHADRM CC(C)Oc1ccc(Cl)cc1C(=O)N(CC(=O)[O-])CC(C)(C)C ZINC001588937979 962511154 /nfs/dbraw/zinc/51/11/54/962511154.db2.gz BCNPRUJDMMIRIC-UHFFFAOYSA-N -1 0 341.835 3.700 20 0 EHADRM C[C@@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)c1cccc(C2CC2)c1 ZINC000263358193 962514238 /nfs/dbraw/zinc/51/42/38/962514238.db2.gz JPYIXYGASABGOL-CYBMUJFWSA-N -1 0 338.407 3.823 20 0 EHADRM COc1ccccc1[C@H]1CCCN1C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC000263361033 962517628 /nfs/dbraw/zinc/51/76/28/962517628.db2.gz YJAYXINFISSLRP-QGZVFWFLSA-N -1 0 339.391 3.679 20 0 EHADRM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000263371678 962530473 /nfs/dbraw/zinc/53/04/73/962530473.db2.gz YKRVAHWRMIQNAQ-STQMWFEESA-N -1 0 341.382 3.601 20 0 EHADRM CCC[C@H](CCc1ccccc1)NC(=O)c1c(C)coc1CC(=O)[O-] ZINC000263429058 962603481 /nfs/dbraw/zinc/60/34/81/962603481.db2.gz MXKHYAWACBGZBK-MRXNPFEDSA-N -1 0 343.423 3.746 20 0 EHADRM Cc1cccc(Oc2ccccc2NC(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000263499871 962682772 /nfs/dbraw/zinc/68/27/72/962682772.db2.gz SPBCDIFACPUXLU-CQSZACIVSA-N -1 0 340.379 3.726 20 0 EHADRM O=C([O-])CCCCNC(=O)c1cc(F)c(Oc2ccccc2)c(F)c1 ZINC001574702245 962685446 /nfs/dbraw/zinc/68/54/46/962685446.db2.gz RTZPPRHRXGJAOU-UHFFFAOYSA-N -1 0 349.333 3.742 20 0 EHADRM O=C([O-])CCCCNC(=O)c1cccc(-c2c(F)cccc2F)c1 ZINC001574702159 962686248 /nfs/dbraw/zinc/68/62/48/962686248.db2.gz OLENCXYLCUCFSV-UHFFFAOYSA-N -1 0 333.334 3.617 20 0 EHADRM O=C([O-])C1CCC(NC(=O)N2CCCC3(CCCCC3)CC2)CC1 ZINC000263505643 962687336 /nfs/dbraw/zinc/68/73/36/962687336.db2.gz WZROFWIKKBEXTM-UHFFFAOYSA-N -1 0 336.476 3.776 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000263511488 962693269 /nfs/dbraw/zinc/69/32/69/962693269.db2.gz CKGQUBGOBCBSNE-DOMZBBRYSA-N -1 0 343.810 3.734 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)c(F)c1 ZINC000263531824 962712019 /nfs/dbraw/zinc/71/20/19/962712019.db2.gz MUJCHJIGEYPPPS-SWLSCSKDSA-N -1 0 345.345 3.729 20 0 EHADRM CCC(CC)(CNC(=O)[C@@H](C)Cc1ccccc1Cl)C(=O)[O-] ZINC000263544303 962718688 /nfs/dbraw/zinc/71/86/88/962718688.db2.gz SJVCFQZRCICLTM-LBPRGKRZSA-N -1 0 325.836 3.526 20 0 EHADRM O=C([O-])c1cccc(C(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000263552525 962726455 /nfs/dbraw/zinc/72/64/55/962726455.db2.gz XDKIISMWFQJUHO-GUYCJALGSA-N -1 0 327.355 3.590 20 0 EHADRM C[C@]1(Cc2ccccc2)CCCN1C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000263565267 962732596 /nfs/dbraw/zinc/73/25/96/962732596.db2.gz FKBXSDVVWSHDAV-MBOZVWFJSA-N -1 0 329.440 3.501 20 0 EHADRM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000263566217 962732879 /nfs/dbraw/zinc/73/28/79/962732879.db2.gz GATOXGYYMHLXBG-CVEARBPZSA-N -1 0 327.380 3.695 20 0 EHADRM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000263566219 962732961 /nfs/dbraw/zinc/73/29/61/962732961.db2.gz GATOXGYYMHLXBG-HZPDHXFCSA-N -1 0 327.380 3.695 20 0 EHADRM C[C@H](Oc1ccc(C(=O)N2CCC[C@H]2C(=O)[O-])cc1)c1ccccc1 ZINC000263564071 962733362 /nfs/dbraw/zinc/73/33/62/962733362.db2.gz DUJCUDUKISMBTP-KSSFIOAISA-N -1 0 339.391 3.516 20 0 EHADRM COCC[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])s2)c2ccccc21 ZINC001520204834 962851293 /nfs/dbraw/zinc/85/12/93/962851293.db2.gz FKADRDRLPJJUQJ-LBPRGKRZSA-N -1 0 345.420 3.617 20 0 EHADRM COc1ccc([C@H](NCCC2(C(=O)[O-])CCC2)C(F)(F)F)cc1 ZINC001574204723 962903889 /nfs/dbraw/zinc/90/38/89/962903889.db2.gz GMDZFLRRJSZNGT-ZDUSSCGKSA-N -1 0 331.334 3.533 20 0 EHADRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001550383669 963007151 /nfs/dbraw/zinc/00/71/51/963007151.db2.gz LXWCJTYWYRWXOE-KDOFPFPSSA-N -1 0 346.814 3.599 20 0 EHADRM CCC[C@H](CC(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000307983717 963241859 /nfs/dbraw/zinc/24/18/59/963241859.db2.gz ADOMRRBUWIOMAS-RDTXWAMCSA-N -1 0 344.455 3.742 20 0 EHADRM CCC(CC)NC(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000312439766 963563197 /nfs/dbraw/zinc/56/31/97/963563197.db2.gz MURXWZAGCVDEIF-UHFFFAOYSA-N -1 0 343.221 3.766 20 0 EHADRM O=C([O-])C1(NC(=O)/C=C\c2cc(Cl)cc(Cl)c2)CCCCC1 ZINC000314281819 963734991 /nfs/dbraw/zinc/73/49/91/963734991.db2.gz QECOJKBMGOJXOB-PLNGDYQASA-N -1 0 342.222 3.910 20 0 EHADRM C[C@H](Nc1ccc(C#N)c(C(F)(F)F)c1)c1ncc(C(=O)[O-])s1 ZINC000314658523 963785865 /nfs/dbraw/zinc/78/58/65/963785865.db2.gz NOVITKFDOSUNCL-ZETCQYMHSA-N -1 0 341.314 3.905 20 0 EHADRM C[C@@H](NCc1ccccc1C(F)(F)F)c1ncc(C(=O)[O-])s1 ZINC000315311185 963878883 /nfs/dbraw/zinc/87/88/83/963878883.db2.gz KDSSGEGTJKXREM-MRVPVSSYSA-N -1 0 330.331 3.711 20 0 EHADRM C[C@H](NCc1ccccc1C(F)(F)F)c1ncc(C(=O)[O-])s1 ZINC000315311188 963879174 /nfs/dbraw/zinc/87/91/74/963879174.db2.gz KDSSGEGTJKXREM-QMMMGPOBSA-N -1 0 330.331 3.711 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccc(Cl)s1 ZINC000315392866 963894151 /nfs/dbraw/zinc/89/41/51/963894151.db2.gz SEQUPQXAZXDQSJ-WDEREUQCSA-N -1 0 344.864 3.749 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)c2cc3sccc3s2)c1 ZINC000316407679 964008904 /nfs/dbraw/zinc/00/89/04/964008904.db2.gz VDSDDUWGIJATGF-UHFFFAOYSA-N -1 0 333.390 3.679 20 0 EHADRM CC[C@H](CNC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000316448907 964014154 /nfs/dbraw/zinc/01/41/54/964014154.db2.gz FWLISSDFZLLATF-SSDOTTSWSA-N -1 0 338.713 3.591 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1cc(F)cc(Br)c1 ZINC000037025853 967509083 /nfs/dbraw/zinc/50/90/83/967509083.db2.gz ZIHZBUSUBWVBRR-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM CC(C)Cc1ccc([C@H](NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])C2CC2)cc1 ZINC000262014632 967807171 /nfs/dbraw/zinc/80/71/71/967807171.db2.gz FTGNCXFIIRMZKL-KURKYZTESA-N -1 0 329.440 3.563 20 0 EHADRM O=C([O-])C1CCC(NC(=O)Nc2ccc(-c3ccccn3)cc2)CC1 ZINC000263092789 967845764 /nfs/dbraw/zinc/84/57/64/967845764.db2.gz STDPFWBRAFCZBZ-UHFFFAOYSA-N -1 0 339.395 3.514 20 0 EHADRM Cc1c(C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)sc2cccc(F)c12 ZINC000263346322 967875724 /nfs/dbraw/zinc/87/57/24/967875724.db2.gz ORSSNFWEJYHKQC-ONGXEEELSA-N -1 0 335.400 3.532 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)Nc2ccc3c(c2)CCCO3)c1 ZINC000263362696 967879366 /nfs/dbraw/zinc/87/93/66/967879366.db2.gz UXOHKCAINZPFRM-UHFFFAOYSA-N -1 0 340.379 3.673 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN1C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000263410309 967889128 /nfs/dbraw/zinc/88/91/28/967889128.db2.gz GVXQLUGOWQGDTD-DVOMOZLQSA-N -1 0 342.222 3.563 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000314463516 967967075 /nfs/dbraw/zinc/96/70/75/967967075.db2.gz LZHVHUWJKFSHEV-YPMHNXCESA-N -1 0 341.860 3.676 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2cc(F)c(F)c(F)c2F)c1 ZINC000325881527 968040945 /nfs/dbraw/zinc/04/09/45/968040945.db2.gz OFWIASRBLNAXSF-UHFFFAOYSA-N -1 0 341.260 3.513 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000424260530 968353819 /nfs/dbraw/zinc/35/38/19/968353819.db2.gz YUMCGIMPPMBMDE-IRXDYDNUSA-N -1 0 331.456 3.667 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000532867399 968399628 /nfs/dbraw/zinc/39/96/28/968399628.db2.gz MOJIKTXTVGDEOD-VXGBXAGGSA-N -1 0 341.860 3.534 20 0 EHADRM CC(C)[C@H](SCc1ccccc1)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000610892153 968509015 /nfs/dbraw/zinc/50/90/15/968509015.db2.gz YCKRJXXRZOVWGJ-AEFFLSMTSA-N -1 0 349.496 3.658 20 0 EHADRM CC[C@H](CNC(=O)c1cc(C2CC2)nc2ccc(Cl)cc21)C(=O)[O-] ZINC000649264326 968587813 /nfs/dbraw/zinc/58/78/13/968587813.db2.gz YCGYUHYQEWRQRV-SNVBAGLBSA-N -1 0 346.814 3.606 20 0 EHADRM CSc1ccsc1C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000653334856 968665594 /nfs/dbraw/zinc/66/55/94/968665594.db2.gz INSSHNWPWUNABT-RYUDHWBXSA-N -1 0 333.434 3.513 20 0 EHADRM C[C@H](NC(=O)Nc1cc(Cl)ccc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653534279 968670814 /nfs/dbraw/zinc/67/08/14/968670814.db2.gz FUQNIHDWQSRYPH-INTQDDNPSA-N -1 0 342.798 3.736 20 0 EHADRM C[C@@H](NC(=O)[C@@H](C)c1ccc(Cl)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655574222 968683658 /nfs/dbraw/zinc/68/36/58/968683658.db2.gz LVUMHQWVEGELGX-IDTSFGKNSA-N -1 0 337.847 3.695 20 0 EHADRM C[C@H](CNC(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000655865483 968697580 /nfs/dbraw/zinc/69/75/80/968697580.db2.gz IIMTVPGNHAFKNI-ZIAGYGMSSA-N -1 0 342.395 3.560 20 0 EHADRM CC(C)[C@H](CNC(=O)N[C@@H](C)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000655870200 968699164 /nfs/dbraw/zinc/69/91/64/968699164.db2.gz PGDKVUWXIYQXNB-ONGXEEELSA-N -1 0 347.242 3.710 20 0 EHADRM CCCCc1oc2ccccc2c1CN(C)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655888154 968706433 /nfs/dbraw/zinc/70/64/33/968706433.db2.gz IBCLESMDBGQDJL-CYBMUJFWSA-N -1 0 346.427 3.638 20 0 EHADRM O=C([O-])C1CCN(C(=O)Cc2ccc(C3CCCCC3)cc2)CC1 ZINC000656490361 968718880 /nfs/dbraw/zinc/71/88/80/968718880.db2.gz ARSBWRWRMVBOJW-UHFFFAOYSA-N -1 0 329.440 3.600 20 0 EHADRM CC1CC(C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)(c2cccc(Cl)c2)C1 ZINC000659225871 968728577 /nfs/dbraw/zinc/72/85/77/968728577.db2.gz VFSMHLICFALLBJ-BKUHTVRMSA-N -1 0 349.858 3.577 20 0 EHADRM CC(C)C(=O)Nc1cccc(NC(=O)C2(C(=O)[O-])CCCCCC2)c1 ZINC000663081431 968790889 /nfs/dbraw/zinc/79/08/89/968790889.db2.gz LULKNZWKHKNBIF-UHFFFAOYSA-N -1 0 346.427 3.645 20 0 EHADRM CC(C)[C@H]1c2ccccc2CCN1C(=O)NCCCCCC(=O)[O-] ZINC000666554385 968844669 /nfs/dbraw/zinc/84/46/69/968844669.db2.gz QUXUBRRWMVUQBG-SFHVURJKSA-N -1 0 332.444 3.596 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)Cc2c[nH]c3ccc(F)cc23)c1 ZINC000682437295 968870206 /nfs/dbraw/zinc/87/02/06/968870206.db2.gz DCXCYUUBRBTXCW-UHFFFAOYSA-N -1 0 340.354 3.505 20 0 EHADRM CCCN(CCc1cccc(F)c1)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000864128424 969319646 /nfs/dbraw/zinc/31/96/46/969319646.db2.gz GJJAPMNDVYAKDY-CLFYSBASSA-N -1 0 345.370 3.611 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)C1CC(c2ccc(F)cc2)C1 ZINC000872718360 969352320 /nfs/dbraw/zinc/35/23/20/969352320.db2.gz PFPGYOJDDXZACD-VMBOVVBDSA-N -1 0 333.403 3.565 20 0 EHADRM Cc1ccc([C@H]2CCN(C(=O)NCCCCC(=O)[O-])C2(C)C)cc1 ZINC000898836715 969413885 /nfs/dbraw/zinc/41/38/85/969413885.db2.gz ZKABVXDITLNCFV-MRXNPFEDSA-N -1 0 332.444 3.527 20 0 EHADRM CC(C)C[C@H](CNC(=O)CC(C)(C)CC(F)(F)F)CC(=O)[O-] ZINC000902080828 969514984 /nfs/dbraw/zinc/51/49/84/969514984.db2.gz XFFAFMPBXFMERI-NSHDSACASA-N -1 0 325.371 3.608 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)N[C@H]1CCSc2ccccc21 ZINC001340464806 969743297 /nfs/dbraw/zinc/74/32/97/969743297.db2.gz VXSPBRJQWVVBPT-HIFRSBDPSA-N -1 0 348.468 3.652 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000064872984 970307479 /nfs/dbraw/zinc/30/74/79/970307479.db2.gz YQTTUUKYCDELSC-UHFFFAOYSA-N -1 0 327.380 3.799 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC001606546123 970313089 /nfs/dbraw/zinc/31/30/89/970313089.db2.gz GTRCXTZYYOJACC-JKSUJKDBSA-N -1 0 332.359 3.675 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)O[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC001606547719 970323486 /nfs/dbraw/zinc/32/34/86/970323486.db2.gz QXKFYFIDMVHYRZ-OUAUKWLOSA-N -1 0 336.693 3.597 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2cc(F)cc(Cl)c2)CCCCC1 ZINC000318273465 970421969 /nfs/dbraw/zinc/42/19/69/970421969.db2.gz OODLLHIPTXLAHO-UHFFFAOYSA-N -1 0 328.771 3.778 20 0 EHADRM CC(C)(CCNC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)[O-] ZINC000318838857 970478610 /nfs/dbraw/zinc/47/86/10/970478610.db2.gz DFVGWNYFKMIBJA-UHFFFAOYSA-N -1 0 343.807 3.925 20 0 EHADRM C[C@@H](C(=O)[O-])c1noc(-c2csc(Cc3ccc(Cl)cc3)n2)n1 ZINC001609718454 970497694 /nfs/dbraw/zinc/49/76/94/970497694.db2.gz SEJBEJWZAKDNAQ-MRVPVSSYSA-N -1 0 349.799 3.625 20 0 EHADRM Cc1nc(Cl)c(Cl)cc1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000319043110 970499917 /nfs/dbraw/zinc/49/99/17/970499917.db2.gz BUTODDJBCSQKAN-UHFFFAOYSA-N -1 0 343.141 3.786 20 0 EHADRM O=C([O-])CCc1csc(Nc2cccc(OC(F)(F)F)c2)n1 ZINC000319280284 970520700 /nfs/dbraw/zinc/52/07/00/970520700.db2.gz IHVDTWQXAUKJMD-UHFFFAOYSA-N -1 0 332.303 3.803 20 0 EHADRM CC[C@@H](C)[C@@H](C)Nc1cc(I)cc(C(=O)[O-])c1 ZINC000319550468 970546773 /nfs/dbraw/zinc/54/67/73/970546773.db2.gz OLJXHXGNACCGOK-RKDXNWHRSA-N -1 0 347.196 3.836 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)ccc1Cl ZINC000319825667 970577522 /nfs/dbraw/zinc/57/75/22/970577522.db2.gz BGLYTRGWYFGYBV-UHFFFAOYSA-N -1 0 325.698 3.877 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)CCCc2cccs2)c1F ZINC000319905152 970586621 /nfs/dbraw/zinc/58/66/21/970586621.db2.gz LJWLONQWQLNVEP-UHFFFAOYSA-N -1 0 325.336 3.686 20 0 EHADRM C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000320008498 970600723 /nfs/dbraw/zinc/60/07/23/970600723.db2.gz LYZYHFAVSDRPRD-VIFPVBQESA-N -1 0 337.734 3.583 20 0 EHADRM O=C([O-])CN(C(=O)CSCc1ccc(Cl)cc1)c1ccccc1 ZINC000320049851 970606408 /nfs/dbraw/zinc/60/64/08/970606408.db2.gz SFWSAOARYIYZJV-UHFFFAOYSA-N -1 0 349.839 3.691 20 0 EHADRM CSCc1ccc(C(=O)NCC2(CC(=O)[O-])CCCCC2)cc1 ZINC000320383773 970657332 /nfs/dbraw/zinc/65/73/32/970657332.db2.gz LHJHWAJPNUCHIG-UHFFFAOYSA-N -1 0 335.469 3.705 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)[C@H](C)Oc2ccccc2F)s1 ZINC000320430384 970663584 /nfs/dbraw/zinc/66/35/84/970663584.db2.gz RLEQAXDJCSOUQS-VIFPVBQESA-N -1 0 337.372 3.554 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)N[C@@H](C(=O)[O-])C3CCCCC3)cc2C1 ZINC000320698958 970701578 /nfs/dbraw/zinc/70/15/78/970701578.db2.gz DEBQRBJFIFHCPC-BDJLRTHQSA-N -1 0 335.469 3.636 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@H]2C[C@@H]2c2ccccc2)ccc1Cl ZINC000320903482 970727881 /nfs/dbraw/zinc/72/78/81/970727881.db2.gz UNSIPMMGFKIDKR-DOMZBBRYSA-N -1 0 330.771 3.716 20 0 EHADRM CCCC1CCN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC000321047086 970738442 /nfs/dbraw/zinc/73/84/42/970738442.db2.gz UNFNJSFIUNQDNG-UHFFFAOYSA-N -1 0 326.343 3.707 20 0 EHADRM COc1ccc(C(=O)[O-])c(OCc2coc(-c3cccs3)n2)c1 ZINC000321193807 970752019 /nfs/dbraw/zinc/75/20/19/970752019.db2.gz WCDMIGWERKLFOL-UHFFFAOYSA-N -1 0 331.349 3.689 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)N[C@H]2CCCCC23CCCC3)CC1 ZINC000392849426 972534312 /nfs/dbraw/zinc/53/43/12/972534312.db2.gz PVBOVRXTWHWHNZ-INIZCTEOSA-N -1 0 336.476 3.776 20 0 EHADRM C[C@@H](OC(=O)C1(C(=O)[O-])CC=CC1)c1ccc(OC(F)(F)F)cc1 ZINC001604998494 972589898 /nfs/dbraw/zinc/58/98/98/972589898.db2.gz AMHUYHYVRLQDML-SNVBAGLBSA-N -1 0 344.285 3.610 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(C(F)(F)F)c(F)c2)ccc1O ZINC001605855165 972601680 /nfs/dbraw/zinc/60/16/80/972601680.db2.gz JDSXDPRPCBDHHM-UHFFFAOYSA-N -1 0 343.232 3.501 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)CCC3)c2ccccc21 ZINC001605857221 972606626 /nfs/dbraw/zinc/60/66/26/972606626.db2.gz DPMPHAJUMNZRAH-QZTJIDSGSA-N -1 0 336.391 3.610 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N[C@@H]1CCOc2c(Cl)cccc21 ZINC001605862903 972616461 /nfs/dbraw/zinc/61/64/61/972616461.db2.gz BAHDQHHURUNUAO-CQSZACIVSA-N -1 0 346.770 3.684 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N[C@@H]1CC(C)(C)CCc2ccccc21 ZINC001603329758 972696894 /nfs/dbraw/zinc/69/68/94/972696894.db2.gz WWRBSOVQZZJLKM-QRWLVFNGSA-N -1 0 329.440 3.707 20 0 EHADRM Cc1c2occ(CC(=O)N3C[C@H](C)C[C@@H](C(=O)[O-])C3)c2ccc1Cl ZINC001605081983 972722109 /nfs/dbraw/zinc/72/21/09/972722109.db2.gz SAQRSIOZXVLMJP-ZYHUDNBSSA-N -1 0 349.814 3.506 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC[C@H]1CCCCC1(F)F ZINC000394682332 972737257 /nfs/dbraw/zinc/73/72/57/972737257.db2.gz ZHESRJKPNOAGCN-STMXVASLSA-N -1 0 326.339 3.997 20 0 EHADRM Cc1cc(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)nc2ccccc12 ZINC001605122563 972784285 /nfs/dbraw/zinc/78/42/85/972784285.db2.gz NADKGZKEMAFWRN-WMZOPIPTSA-N -1 0 346.386 3.586 20 0 EHADRM Cc1cc(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)nc2ccccc12 ZINC001605122557 972784559 /nfs/dbraw/zinc/78/45/59/972784559.db2.gz NADKGZKEMAFWRN-FUHWJXTLSA-N -1 0 346.386 3.586 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001603366648 972857830 /nfs/dbraw/zinc/85/78/30/972857830.db2.gz VCJNBMUMNFMIOG-WCBMZHEXSA-N -1 0 349.736 3.542 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC(=O)C2(CC(=O)[O-])CCC2)C1 ZINC001603375274 972919272 /nfs/dbraw/zinc/91/92/72/972919272.db2.gz OFBXMFNOCNNRLK-UAGQMJEPSA-N -1 0 329.440 3.720 20 0 EHADRM Cc1cccc(CN(C)C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c1 ZINC000396634692 972925945 /nfs/dbraw/zinc/92/59/45/972925945.db2.gz ODDDGEWJPNRHEJ-AWEZNQCLSA-N -1 0 326.396 3.847 20 0 EHADRM O=C([O-])C1(c2noc(CSCc3ccc(Cl)cc3)n2)CCC1 ZINC001605963630 972940108 /nfs/dbraw/zinc/94/01/08/972940108.db2.gz HDZCLNASNMFPNR-UHFFFAOYSA-N -1 0 338.816 3.663 20 0 EHADRM O=C([O-])C1(c2noc(CC3(CSc4ccccc4)CC3)n2)CCC1 ZINC001605963922 972945490 /nfs/dbraw/zinc/94/54/90/972945490.db2.gz QCFHNPVZBMIYSK-UHFFFAOYSA-N -1 0 344.436 3.691 20 0 EHADRM Cc1nn(C)c2cc(NC(=O)Nc3ccc(C(=O)[O-])c(C)c3)ccc12 ZINC001605207305 972949422 /nfs/dbraw/zinc/94/94/22/972949422.db2.gz NHIFWMPJEIPMBG-UHFFFAOYSA-N -1 0 338.367 3.532 20 0 EHADRM Cc1ccc(-c2csc(NC(=O)[C@H](C(=O)[O-])C(C)C)n2)cc1C ZINC001605231543 972981699 /nfs/dbraw/zinc/98/16/99/972981699.db2.gz NSZQOAQWBMLBCP-CQSZACIVSA-N -1 0 332.425 3.722 20 0 EHADRM Cc1nn(-c2ccc(C)cc2)cc1CNc1cccc(CC(=O)[O-])c1 ZINC001605240410 972997571 /nfs/dbraw/zinc/99/75/71/972997571.db2.gz JREJLHMNQUJTNN-UHFFFAOYSA-N -1 0 335.407 3.728 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[O-])c1 ZINC001605255968 973022260 /nfs/dbraw/zinc/02/22/60/973022260.db2.gz GQVQUHAKFPBNGM-HOCLYGCPSA-N -1 0 335.444 3.501 20 0 EHADRM Cc1ccc(NC(=O)N(C)CCC(=O)[O-])c(OCc2ccccc2)c1 ZINC001605288962 973098428 /nfs/dbraw/zinc/09/84/28/973098428.db2.gz FTCNRNNEIXUMSF-UHFFFAOYSA-N -1 0 342.395 3.512 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2c[nH]c3cccc(F)c23)c2ccccc21 ZINC001606006596 973102297 /nfs/dbraw/zinc/10/22/97/973102297.db2.gz MPWXCFXGSYFWGM-GFCCVEGCSA-N -1 0 338.338 3.526 20 0 EHADRM Cc1ccc2cc(C(=O)N[C@H]3C[C@H](C(=O)[O-])c4ccccc43)[nH]c2c1 ZINC001605314476 973139812 /nfs/dbraw/zinc/13/98/12/973139812.db2.gz PCIMADAZHDPLPL-RDJZCZTQSA-N -1 0 334.375 3.519 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)NCc2cccc(Cl)c2Cl)co1 ZINC001606063355 973189615 /nfs/dbraw/zinc/18/96/15/973189615.db2.gz ABBXAXUPACXOHV-PLNGDYQASA-N -1 0 340.162 3.614 20 0 EHADRM Cc1cccc([C@@H](NCC(=O)Nc2ccc3ccccc3c2)C(=O)[O-])c1 ZINC001605329993 973203982 /nfs/dbraw/zinc/20/39/82/973203982.db2.gz MYSYJEORZHXRTB-HXUWFJFHSA-N -1 0 348.402 3.502 20 0 EHADRM Cc1cccc(C2(NC(=O)NCc3ccc(C(=O)[O-])cc3)CCC2)c1 ZINC001605335725 973220496 /nfs/dbraw/zinc/22/04/96/973220496.db2.gz KJUJHCHOCQALAM-UHFFFAOYSA-N -1 0 338.407 3.572 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)NCC1(C(=O)[O-])CCC1)C(C)(C)C ZINC001605350957 973254484 /nfs/dbraw/zinc/25/44/84/973254484.db2.gz IDEXOAJVZRVJEG-HNNXBMFYSA-N -1 0 332.444 3.636 20 0 EHADRM Cc1ccccc1C1CCN(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CC1 ZINC001605355894 973268279 /nfs/dbraw/zinc/26/82/79/973268279.db2.gz YFGXAVVKCGVRNX-QGZVFWFLSA-N -1 0 346.471 3.631 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)CCSc1ccccc1Cl)C(=O)[O-] ZINC000400483604 973288002 /nfs/dbraw/zinc/28/80/02/973288002.db2.gz DXTXAAOIQBBWAL-DGCLKSJQSA-N -1 0 343.876 3.828 20 0 EHADRM C[C@H]1O[C@@H](C)Cc2c(C(=O)[O-])c(NC(=O)c3ccccc3)sc21 ZINC001603474270 973354874 /nfs/dbraw/zinc/35/48/74/973354874.db2.gz AXIRVAGZKNGLOE-VHSXEESVSA-N -1 0 331.393 3.721 20 0 EHADRM C[C@H]1CSc2ccccc2N1C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001603476476 973371082 /nfs/dbraw/zinc/37/10/82/973371082.db2.gz WWJCYHDSEIDTSJ-MLRMMBSGSA-N -1 0 329.377 3.518 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCCc2cc(OC(F)(F)F)ccc21 ZINC001606142255 973395412 /nfs/dbraw/zinc/39/54/12/973395412.db2.gz HDWCTZGDGBPYKS-UHFFFAOYSA-N -1 0 345.317 3.509 20 0 EHADRM O=C([O-])CCCNC(=O)Nc1cccc(-c2ccc(F)c(F)c2)c1 ZINC001606179164 973425777 /nfs/dbraw/zinc/42/57/77/973425777.db2.gz GLUAJDYXFVRGIQ-UHFFFAOYSA-N -1 0 334.322 3.618 20 0 EHADRM O=C([O-])CN(C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)C1CCC1 ZINC001606216199 973468617 /nfs/dbraw/zinc/46/86/17/973468617.db2.gz OAGKWXYYBJHRLU-KGLIPLIRSA-N -1 0 342.222 3.563 20 0 EHADRM O=C([O-])CN(CC1CC1)C(=O)Cc1ccc(C2CCCCC2)cc1 ZINC001606227535 973482954 /nfs/dbraw/zinc/48/29/54/973482954.db2.gz NEGSEGYMJZOEBX-UHFFFAOYSA-N -1 0 329.440 3.600 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])C(F)(F)F ZINC001603511313 973506584 /nfs/dbraw/zinc/50/65/84/973506584.db2.gz UQRXBEFFBKEFLD-DCAQKATOSA-N -1 0 340.386 3.542 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N[C@@H](C)Cc1ccccc1C(F)(F)F ZINC001603522893 973557319 /nfs/dbraw/zinc/55/73/19/973557319.db2.gz DTNHENJCTMYWQC-NSHDSACASA-N -1 0 345.361 3.644 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)Nc1nc2ccccn2c1C(=O)[O-] ZINC001603549632 973612013 /nfs/dbraw/zinc/61/20/13/973612013.db2.gz UVBOFVVMMNEPTP-ZDUSSCGKSA-N -1 0 329.400 3.578 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)CCCc2c(F)cccc2F)c1 ZINC001606307976 973719274 /nfs/dbraw/zinc/71/92/74/973719274.db2.gz VCQJOJJEWLSKCY-UHFFFAOYSA-N -1 0 333.334 3.553 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Nc2ccc(-c3ccon3)cc2)c1 ZINC001606312513 973728708 /nfs/dbraw/zinc/72/87/08/973728708.db2.gz WIXIVEAPRIFVLD-UHFFFAOYSA-N -1 0 337.335 3.613 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)Nc2ccc3c(c2)CCCCC3)o1 ZINC000404472616 973729421 /nfs/dbraw/zinc/72/94/21/973729421.db2.gz DTRJNEGTMHRUKV-UHFFFAOYSA-N -1 0 328.368 3.568 20 0 EHADRM Cc1c(NC(=O)N2CCc3ccccc3[C@@H](C)C2)cccc1C(=O)[O-] ZINC000404785786 973748796 /nfs/dbraw/zinc/74/87/96/973748796.db2.gz PKSXGKRCOBQTLM-ZDUSSCGKSA-N -1 0 338.407 3.887 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1ccccc1SC(F)(F)F)CC1CC1 ZINC000405281835 973813416 /nfs/dbraw/zinc/81/34/16/973813416.db2.gz ZUGNIAJHAJUYTL-JTQLQIEISA-N -1 0 347.358 3.529 20 0 EHADRM CON(C(=O)c1cc2sc3ccccc3c2s1)[C@@H](C)C(=O)[O-] ZINC001604662302 973843578 /nfs/dbraw/zinc/84/35/78/973843578.db2.gz YPHBXTJPBYSUBB-QMMMGPOBSA-N -1 0 335.406 3.593 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1cccc(Cl)c1Oc1cccnc1 ZINC001606409538 973861215 /nfs/dbraw/zinc/86/12/15/973861215.db2.gz GPNUXSRANVNDPA-VXGBXAGGSA-N -1 0 346.770 3.577 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)C1 ZINC001603602069 973861820 /nfs/dbraw/zinc/86/18/20/973861820.db2.gz ZJMKIKIAMCIOKQ-MBOZVWFJSA-N -1 0 344.455 3.609 20 0 EHADRM CC(C)S(=O)(=O)[N-]C(=O)c1sc2cc(F)ccc2c1Cl ZINC000049417850 1014146908 /nfs/dbraw/zinc/14/69/08/1014146908.db2.gz RTWNWQOMQKXWOM-UHFFFAOYSA-N -1 0 335.809 3.737 20 0 EHADRM COc1cc(Cl)ccc1NC(=O)N[C@H](C(=O)[O-])c1cccc(C)c1 ZINC001604719746 973922042 /nfs/dbraw/zinc/92/20/42/973922042.db2.gz LGDUNYRGRIUDDC-HNNXBMFYSA-N -1 0 348.786 3.604 20 0 EHADRM CC[C@@H]1CCCC[C@H]1C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001603620168 973923501 /nfs/dbraw/zinc/92/35/01/973923501.db2.gz YKRVQQRNEUAMPN-GHMZBOCLSA-N -1 0 337.441 3.674 20 0 EHADRM O=C([O-])CC1(CC(=O)NCCc2cc3ccccc3s2)CCCC1 ZINC000414103872 973932331 /nfs/dbraw/zinc/93/23/31/973932331.db2.gz UVMPELUFBRKGTJ-UHFFFAOYSA-N -1 0 345.464 3.985 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2CCCc3sccc32)c1 ZINC000414454970 973940333 /nfs/dbraw/zinc/94/03/33/973940333.db2.gz SAXSWWZBKKQVLI-XHDPSFHLSA-N -1 0 329.421 3.995 20 0 EHADRM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)NCCCCCC(=O)[O-] ZINC000414627433 973944349 /nfs/dbraw/zinc/94/43/49/973944349.db2.gz LPZLOTYLERZXGM-HNNXBMFYSA-N -1 0 340.851 3.605 20 0 EHADRM COc1cc2c(cc1NC(=O)[C@@H](C(=O)[O-])C1CC1)oc1ccccc12 ZINC001604746052 973955707 /nfs/dbraw/zinc/95/57/07/973955707.db2.gz UAEVFLWEJCFOFE-KRWDZBQOSA-N -1 0 339.347 3.644 20 0 EHADRM COc1ccc(CNc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1OC ZINC000417614372 973965939 /nfs/dbraw/zinc/96/59/39/973965939.db2.gz VJLKKNGASXVFIG-CYBMUJFWSA-N -1 0 329.396 3.579 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1cccc(OC2CCCC2)c1 ZINC000417726997 973967413 /nfs/dbraw/zinc/96/74/13/973967413.db2.gz IMRMYLXIYULPAN-UHFFFAOYSA-N -1 0 334.416 3.775 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cc(Cl)nc(C3CC3)c2)cc1 ZINC001606494793 973977689 /nfs/dbraw/zinc/97/76/89/973977689.db2.gz BWUQQUJDTGBVIF-UHFFFAOYSA-N -1 0 331.755 3.668 20 0 EHADRM COc1ccc(C2CC2)cc1CNC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001604774174 974002293 /nfs/dbraw/zinc/00/22/93/974002293.db2.gz AAOGUXOVIGNYQQ-UHFFFAOYSA-N -1 0 345.439 3.614 20 0 EHADRM CCCCNc1nc(CC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cs1 ZINC001603648236 974008124 /nfs/dbraw/zinc/00/81/24/974008124.db2.gz FVNOYAWYNHRNEO-UHFFFAOYSA-N -1 0 347.440 3.543 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N1CCC2(CCSCC2)CC1 ZINC001606522925 974023962 /nfs/dbraw/zinc/02/39/62/974023962.db2.gz PJJBHXYNRCWYQR-UHFFFAOYSA-N -1 0 334.441 3.526 20 0 EHADRM CCC(CC)(CNC(=O)N[C@H](C)c1ccc2ncsc2c1)C(=O)[O-] ZINC000424448597 974037415 /nfs/dbraw/zinc/03/74/15/974037415.db2.gz JXFQBECDEOPVIY-LLVKDONJSA-N -1 0 349.456 3.548 20 0 EHADRM COc1ccc(NC(=O)NC(C)(C)CCC(=O)[O-])c2ccccc12 ZINC001604812699 974049830 /nfs/dbraw/zinc/04/98/30/974049830.db2.gz CJOSUARYVVWNQB-UHFFFAOYSA-N -1 0 330.384 3.613 20 0 EHADRM Cc1cc(C)cc(CCC(=O)N[C@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000431446914 974065396 /nfs/dbraw/zinc/06/53/96/974065396.db2.gz STBPTBVTSWXGQY-LJQANCHMSA-N -1 0 339.435 3.958 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000431650005 974070105 /nfs/dbraw/zinc/07/01/05/974070105.db2.gz YDPNEYXQZBTLGB-LLVKDONJSA-N -1 0 333.771 3.725 20 0 EHADRM Cc1cc(C)cc(CCC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000431688534 974073650 /nfs/dbraw/zinc/07/36/50/974073650.db2.gz VBEHMLQWQMGTNU-OXJNMPFZSA-N -1 0 339.435 3.814 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC000431991455 974081595 /nfs/dbraw/zinc/08/15/95/974081595.db2.gz LFJIUHDTGWUADW-UHFFFAOYSA-N -1 0 329.396 3.909 20 0 EHADRM CC(C)[C@H](NC(=O)c1ccc(C(=O)[O-])o1)c1ccc(Cl)cc1F ZINC000432095918 974085672 /nfs/dbraw/zinc/08/56/72/974085672.db2.gz ISHYDWCLJAWREW-AWEZNQCLSA-N -1 0 339.750 3.897 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccc(COc3ccccc3)cc2)n1 ZINC000432105540 974086820 /nfs/dbraw/zinc/08/68/20/974086820.db2.gz FFDPUMOZXTXDFE-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM C[C@]1(NC(=O)c2cccc(OC3CCCC3)c2)CCCC[C@@H]1C(=O)[O-] ZINC000432120241 974088936 /nfs/dbraw/zinc/08/89/36/974088936.db2.gz OCAATUOBZPCQLE-XLIONFOSSA-N -1 0 345.439 3.771 20 0 EHADRM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC000439797268 974109787 /nfs/dbraw/zinc/10/97/87/974109787.db2.gz ZXPUQCPUNBVFAL-PIGZYNQJSA-N -1 0 345.345 3.886 20 0 EHADRM CC(C)c1ccc(C[C@@H](C)NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000439808776 974110099 /nfs/dbraw/zinc/11/00/99/974110099.db2.gz WMZJJMSMOLJBSN-JLSDUUJJSA-N -1 0 331.456 3.748 20 0 EHADRM CCN(C(=O)Cc1ccccc1Oc1ccc(C)cc1)[C@@H](C)C(=O)[O-] ZINC001603713780 974119664 /nfs/dbraw/zinc/11/96/64/974119664.db2.gz JKPODLTUUFKLJO-HNNXBMFYSA-N -1 0 341.407 3.651 20 0 EHADRM CCc1ccsc1C(=O)N[C@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC000448990026 974129293 /nfs/dbraw/zinc/12/92/93/974129293.db2.gz HPNCHHOJEZILSL-QGZVFWFLSA-N -1 0 335.400 3.570 20 0 EHADRM COc1ccccc1[C@H]1CCCN(C(=O)[C@@H](C(=O)[O-])C(C)(C)C)CC1 ZINC001604883808 974137372 /nfs/dbraw/zinc/13/73/72/974137372.db2.gz NYBKRYDKRBLXTH-YOEHRIQHSA-N -1 0 347.455 3.538 20 0 EHADRM O=C([O-])c1cc(NC(=O)CSc2ccc3ccccc3c2)ccn1 ZINC001605711091 974144593 /nfs/dbraw/zinc/14/45/93/974144593.db2.gz PDCCDDWZWFYZSW-UHFFFAOYSA-N -1 0 338.388 3.664 20 0 EHADRM Cc1cccc(C(=O)N[C@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])c1Cl ZINC000455907042 974166119 /nfs/dbraw/zinc/16/61/19/974166119.db2.gz ACZRGJYZRUCNDT-CZUORRHYSA-N -1 0 345.826 3.710 20 0 EHADRM O=C([O-])c1ccc([C@H](NC(=O)CC2CCCC2)C(F)(F)F)cc1 ZINC000455942443 974175753 /nfs/dbraw/zinc/17/57/53/974175753.db2.gz YNPKQHADYBZNRF-AWEZNQCLSA-N -1 0 329.318 3.685 20 0 EHADRM O=C([O-])c1cc(Br)cc(C(=O)Nc2cccc(F)c2)c1 ZINC000462899278 974187152 /nfs/dbraw/zinc/18/71/52/974187152.db2.gz XOXXYAGCHWAAHS-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM C[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccc(Oc2ccccc2)c(F)c1 ZINC000485661862 974231123 /nfs/dbraw/zinc/23/11/23/974231123.db2.gz BZSRRFSDFSCABZ-TUKIKUTGSA-N -1 0 343.354 3.516 20 0 EHADRM CC(C)(C)c1ccc(CCNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000498662093 974264817 /nfs/dbraw/zinc/26/48/17/974264817.db2.gz XUYNFGLLBQKHNX-CVEARBPZSA-N -1 0 331.456 3.534 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)s1 ZINC000512750223 974288069 /nfs/dbraw/zinc/28/80/69/974288069.db2.gz UTWJJGIQQLTRCL-ZIAGYGMSSA-N -1 0 329.421 3.903 20 0 EHADRM CCO[C@@H](C)c1nc(CN(C)[C@H](C(=O)[O-])c2ccccc2C)cs1 ZINC000515491478 974299349 /nfs/dbraw/zinc/29/93/49/974299349.db2.gz GPZDWZGWDUJROO-BBRMVZONSA-N -1 0 348.468 3.807 20 0 EHADRM CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000515672592 974301568 /nfs/dbraw/zinc/30/15/68/974301568.db2.gz FIULKWOYHNTKDK-RDJZCZTQSA-N -1 0 333.428 3.628 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CN1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000515855893 974302406 /nfs/dbraw/zinc/30/24/06/974302406.db2.gz LYCWLFSUTMABSM-BZNIZROVSA-N -1 0 349.427 3.856 20 0 EHADRM CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)C[C@H](C)CC(=O)[O-] ZINC000516784923 974310043 /nfs/dbraw/zinc/31/00/43/974310043.db2.gz RUUFMZZKFBDYOR-SJCJKPOMSA-N -1 0 325.836 3.996 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000525979314 974350243 /nfs/dbraw/zinc/35/02/43/974350243.db2.gz RTVJENOKHGXQQA-QGZVFWFLSA-N -1 0 325.408 3.911 20 0 EHADRM CCOc1ccc(NC(=O)c2coc(/C=C/C(=O)[O-])c2)cc1Cl ZINC001603869493 974372506 /nfs/dbraw/zinc/37/25/06/974372506.db2.gz USUIRDCCXGDNMW-GQCTYLIASA-N -1 0 335.743 3.682 20 0 EHADRM CCC(CC)(CNC(=O)CCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000538468583 974388393 /nfs/dbraw/zinc/38/83/93/974388393.db2.gz DPUIIASDVYHTMI-UHFFFAOYSA-N -1 0 346.254 3.933 20 0 EHADRM CC[C@@H]1CC[C@H](C)N(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)C1 ZINC001603918773 974415001 /nfs/dbraw/zinc/41/50/01/974415001.db2.gz MNNYKSZGIRZYDR-RMHZUWNSSA-N -1 0 330.428 3.520 20 0 EHADRM Cc1ccc(-c2cc(C(=O)Nc3cc(C(=O)[O-])ccc3C)on2)cc1 ZINC000558136837 974493121 /nfs/dbraw/zinc/49/31/21/974493121.db2.gz UKTHXVSVLMFJIG-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM C[C@H](CC(=O)NC1(CC(=O)[O-])CCCCC1)c1ccc(F)cc1F ZINC000562394030 974505449 /nfs/dbraw/zinc/50/54/49/974505449.db2.gz CGVITJGRVYTREY-GFCCVEGCSA-N -1 0 339.382 3.752 20 0 EHADRM CCC[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CCO1 ZINC000563279902 974526260 /nfs/dbraw/zinc/52/62/60/974526260.db2.gz IABMKKQQPQFVAK-BXUZGUMPSA-N -1 0 332.227 3.620 20 0 EHADRM CCC(CC)(CNC(=O)c1sc2cc(F)ccc2c1C)C(=O)[O-] ZINC000563750354 974539201 /nfs/dbraw/zinc/53/92/01/974539201.db2.gz ZEMJNBIFFYNMOI-UHFFFAOYSA-N -1 0 337.416 3.970 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])cc1 ZINC000564164063 974545080 /nfs/dbraw/zinc/54/50/80/974545080.db2.gz YJYBFLPEDFVUFK-NQHOJNORSA-N -1 0 343.345 3.735 20 0 EHADRM O=C([O-])c1cccc(CN2CCO[C@@H](c3ccc(F)cc3)C2)c1Cl ZINC000564218568 974545865 /nfs/dbraw/zinc/54/58/65/974545865.db2.gz XKWYSSSCHXMLIB-MRXNPFEDSA-N -1 0 349.789 3.751 20 0 EHADRM CCOc1ccc(C(F)(F)F)cc1NC(=O)C[C@@H](C)CC(=O)[O-] ZINC000565224332 974574515 /nfs/dbraw/zinc/57/45/15/974574515.db2.gz FEGFCWCXYHFSMC-SECBINFHSA-N -1 0 333.306 3.544 20 0 EHADRM CCc1ccc(CN[C@H](C(=O)[O-])c2ccccc2Br)o1 ZINC000567822229 974646435 /nfs/dbraw/zinc/64/64/35/974646435.db2.gz SYBABTVYYOHBKC-AWEZNQCLSA-N -1 0 338.201 3.520 20 0 EHADRM C[C@@H](NCc1cnc(C2CCCC2)s1)c1ncc(C(=O)[O-])s1 ZINC000568749707 974677688 /nfs/dbraw/zinc/67/76/88/974677688.db2.gz LNDCJNXMYHEVCG-SECBINFHSA-N -1 0 337.470 3.806 20 0 EHADRM CC(C)Nc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000570292259 974709063 /nfs/dbraw/zinc/70/90/63/974709063.db2.gz IMCGHYGWJUTOFJ-VXGBXAGGSA-N -1 0 338.835 3.990 20 0 EHADRM O=C([O-])c1ccc(-c2cc(F)ccc2OCC2CCOCC2)cc1 ZINC000570410048 974710775 /nfs/dbraw/zinc/71/07/75/974710775.db2.gz DDDMKIQFYFWVFM-UHFFFAOYSA-N -1 0 330.355 3.996 20 0 EHADRM CC(C)c1ccc(C(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)cc1 ZINC000570634711 974715576 /nfs/dbraw/zinc/71/55/76/974715576.db2.gz FGLYEOJXISPDBT-NRFANRHFSA-N -1 0 337.419 3.679 20 0 EHADRM COCCN(Cc1cccs1)Cc1c(Cl)cccc1C(=O)[O-] ZINC000571888977 974738356 /nfs/dbraw/zinc/73/83/56/974738356.db2.gz ZYGASDUTKQZGLL-UHFFFAOYSA-N -1 0 339.844 3.748 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N[C@H](C)CC(F)(F)F)c12 ZINC000574455425 974782534 /nfs/dbraw/zinc/78/25/34/974782534.db2.gz CFKVDNQEKHWSMW-RXMQYKEDSA-N -1 0 333.335 3.759 20 0 EHADRM Cc1oc(-c2cccs2)nc1CN(C1CC1)C1(C(=O)[O-])CCC1 ZINC000578206972 974850633 /nfs/dbraw/zinc/85/06/33/974850633.db2.gz HIASGUXKOOXLRS-UHFFFAOYSA-N -1 0 332.425 3.683 20 0 EHADRM C[C@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000578756518 974861457 /nfs/dbraw/zinc/86/14/57/974861457.db2.gz WXEZQWOIXVJPQN-PIGZYNQJSA-N -1 0 337.370 3.679 20 0 EHADRM O=C([O-])[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)CC1CC1 ZINC000579722071 974882278 /nfs/dbraw/zinc/88/22/78/974882278.db2.gz DXKQNLDHUNHGHD-GBESFXJTSA-N -1 0 337.419 3.560 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1F ZINC000580095568 974888371 /nfs/dbraw/zinc/88/83/71/974888371.db2.gz YUWXYOXZUDIHJU-KDOFPFPSSA-N -1 0 343.398 3.727 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N[C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000581895451 974917547 /nfs/dbraw/zinc/91/75/47/974917547.db2.gz FGGUSHZKULKFSN-SFHVURJKSA-N -1 0 345.370 3.544 20 0 EHADRM COc1cccc(C2CCN(c3nc(C(=O)[O-])c(C)s3)CC2)c1 ZINC000581887563 974917673 /nfs/dbraw/zinc/91/76/73/974917673.db2.gz VPGBCPCZVWBNPM-UHFFFAOYSA-N -1 0 332.425 3.542 20 0 EHADRM Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)CCCCC(=O)[O-] ZINC000583835633 974946616 /nfs/dbraw/zinc/94/66/16/974946616.db2.gz NZVHLIKNDKKGJQ-UHFFFAOYSA-N -1 0 333.472 3.905 20 0 EHADRM COc1cc(Oc2ccccc2)ccc1NC(=O)C[C@H](C)CC(=O)[O-] ZINC000584183068 974951303 /nfs/dbraw/zinc/95/13/03/974951303.db2.gz UIODYIJLKLRETP-ZDUSSCGKSA-N -1 0 343.379 3.927 20 0 EHADRM O=C([O-])[C@H](c1ccc(F)cc1)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000584535021 974956762 /nfs/dbraw/zinc/95/67/62/974956762.db2.gz NRKHOTTXZKRHOB-SJORKVTESA-N -1 0 349.789 3.678 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccs1 ZINC000611826304 975018903 /nfs/dbraw/zinc/01/89/03/975018903.db2.gz KTAYZCOMPBIYBT-VWYCJHECSA-N -1 0 349.374 3.749 20 0 EHADRM Cc1nc(-c2cccc(C(=O)N3CCCCC[C@H]3C(=O)[O-])c2)cs1 ZINC000621567208 975034349 /nfs/dbraw/zinc/03/43/49/975034349.db2.gz NIMAAFUOGMZBJU-INIZCTEOSA-N -1 0 344.436 3.588 20 0 EHADRM Cc1cc(C(=O)N2CCc3c(cccc3C(=O)[O-])C2)c(C)n1C(C)C ZINC000621578234 975038337 /nfs/dbraw/zinc/03/83/37/975038337.db2.gz FVPYMVCSQPUELI-UHFFFAOYSA-N -1 0 340.423 3.583 20 0 EHADRM CSc1ccccc1C(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000621587773 975045434 /nfs/dbraw/zinc/04/54/34/975045434.db2.gz JQTWGIYNIXQCIJ-HOTGVXAUSA-N -1 0 341.432 3.839 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)N[C@@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC000621610647 975059368 /nfs/dbraw/zinc/05/93/68/975059368.db2.gz NAUQQYOVVOJIMR-RYUDHWBXSA-N -1 0 346.452 3.775 20 0 EHADRM Cc1cc(C(=O)N2CCC(=Cc3cccc(F)c3)CC2)oc1C(=O)[O-] ZINC000630111056 975105523 /nfs/dbraw/zinc/10/55/23/975105523.db2.gz KNCMMEMUZYUIEQ-UHFFFAOYSA-N -1 0 343.354 3.745 20 0 EHADRM Cc1cc(C(=O)N2CCCC[C@@H]2c2ccc(C)cc2)oc1C(=O)[O-] ZINC000630118074 975109247 /nfs/dbraw/zinc/10/92/47/975109247.db2.gz BUELAHDUQPEEAX-OAHLLOKOSA-N -1 0 327.380 3.962 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(COC3CCCC3)cc2)oc1C(=O)[O-] ZINC000630119562 975109460 /nfs/dbraw/zinc/10/94/60/975109460.db2.gz LRZMSTBFGBAHRQ-UHFFFAOYSA-N -1 0 343.379 3.998 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)Cc1cc(Cl)cc2ccccc21 ZINC000630128695 975114075 /nfs/dbraw/zinc/11/40/75/975114075.db2.gz WMHPDLIPFPZBAB-UHFFFAOYSA-N -1 0 333.815 3.747 20 0 EHADRM Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000630129715 975114900 /nfs/dbraw/zinc/11/49/00/975114900.db2.gz DEZHEPSDHJTHQJ-ZWQIFLOQSA-N -1 0 337.419 3.677 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1C(=O)NCC(C)(C)C(=O)[O-] ZINC000630138825 975122791 /nfs/dbraw/zinc/12/27/91/975122791.db2.gz AKMIJNUAXIVZIX-UHFFFAOYSA-N -1 0 327.380 3.628 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)cc1 ZINC000630143965 975127708 /nfs/dbraw/zinc/12/77/08/975127708.db2.gz VBSUAXUYEBYQTM-ZWKOTPCHSA-N -1 0 341.382 3.975 20 0 EHADRM CC1(C)[C@H](C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)[C@H]1c1ccccc1 ZINC000630160554 975136168 /nfs/dbraw/zinc/13/61/68/975136168.db2.gz SYYSGUOGXCWUEV-QGTPRVQTSA-N -1 0 329.440 3.530 20 0 EHADRM O=C([O-])C1(CNC(=O)CCc2ccc(C(F)F)cc2)CCCCC1 ZINC000630164655 975138891 /nfs/dbraw/zinc/13/88/91/975138891.db2.gz ZAAWOWTYCWZPBK-UHFFFAOYSA-N -1 0 339.382 3.708 20 0 EHADRM CC[C@H](CN(CC)C(=O)c1cc(C)c(C(=O)[O-])o1)c1ccccc1 ZINC000630183361 975146198 /nfs/dbraw/zinc/14/61/98/975146198.db2.gz NJRYXLQGFSBXDM-CQSZACIVSA-N -1 0 329.396 3.942 20 0 EHADRM Cc1cccc([C@H](C)C(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)c1 ZINC000630239894 975184850 /nfs/dbraw/zinc/18/48/50/975184850.db2.gz BPRQBDONHXYTSH-ZDUSSCGKSA-N -1 0 341.382 3.521 20 0 EHADRM CCC1(C(=O)N2CCC(c3ncc(C(=O)[O-])s3)CC2)CCCC1 ZINC000630246413 975192594 /nfs/dbraw/zinc/19/25/94/975192594.db2.gz YAOITXJYLDSLCB-UHFFFAOYSA-N -1 0 336.457 3.518 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C2CC2)cc1F)C(=O)[O-] ZINC000630260250 975204205 /nfs/dbraw/zinc/20/42/05/975204205.db2.gz IHQCSSABWUQTQC-NILFDRSVSA-N -1 0 349.402 3.833 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)c2ccc(C3CC3)cc2)cc1F)C(=O)[O-] ZINC000630260638 975204572 /nfs/dbraw/zinc/20/45/72/975204572.db2.gz LTSWECOPUOTSBR-NSHDSACASA-N -1 0 343.354 3.807 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC000630262771 975205860 /nfs/dbraw/zinc/20/58/60/975205860.db2.gz QLUKROCEFDYPOW-CYBMUJFWSA-N -1 0 338.473 3.586 20 0 EHADRM CCC(CC)n1nc(C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)cc1C ZINC000630266466 975210405 /nfs/dbraw/zinc/21/04/05/975210405.db2.gz FACFFLSZZVDWPD-MRXNPFEDSA-N -1 0 349.475 3.564 20 0 EHADRM O=C([O-])[C@H](CNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)C1CCCCC1 ZINC000630267695 975210990 /nfs/dbraw/zinc/21/09/90/975210990.db2.gz QZNIWTAKSRWNAQ-MGPQQGTHSA-N -1 0 349.393 3.752 20 0 EHADRM Cc1cc(C(=O)N2CC[C@H](c3ccc(F)cc3)C2(C)C)oc1C(=O)[O-] ZINC000630267215 975211113 /nfs/dbraw/zinc/21/11/13/975211113.db2.gz HWCPQPJUWYJCJB-CQSZACIVSA-N -1 0 345.370 3.834 20 0 EHADRM CC[C@H](CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21)c1ccc(C)cc1 ZINC000630277363 975221940 /nfs/dbraw/zinc/22/19/40/975221940.db2.gz FXKITMZYTNBQCQ-BVBHFADKSA-N -1 0 343.467 3.981 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000630292072 975233557 /nfs/dbraw/zinc/23/35/57/975233557.db2.gz VQSFSNFJAIHRRZ-INIZCTEOSA-N -1 0 343.810 3.597 20 0 EHADRM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC000630294173 975234213 /nfs/dbraw/zinc/23/42/13/975234213.db2.gz GEDXZINEZNLSQY-UKRRQHHQSA-N -1 0 341.382 3.617 20 0 EHADRM CC[C@@H](c1ccccc1OC)N(C)C(=O)c1cccc(CC(=O)[O-])c1 ZINC000630296602 975236502 /nfs/dbraw/zinc/23/65/02/975236502.db2.gz YHWRDXGUIMLUMX-KRWDZBQOSA-N -1 0 341.407 3.546 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000630300806 975239576 /nfs/dbraw/zinc/23/95/76/975239576.db2.gz BHZPTBJENMYKLW-IAQYHMDHSA-N -1 0 325.355 3.519 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NC1(C(C)(C)c2ccc(F)cc2)CC1 ZINC000630303131 975240796 /nfs/dbraw/zinc/24/07/96/975240796.db2.gz PJHYXSAMDNYUEP-UHFFFAOYSA-N -1 0 335.419 3.643 20 0 EHADRM CCCCN(C(=O)c1ccc(C(=O)[O-])cn1)[C@@H](C)c1ccccc1 ZINC000642210714 975291666 /nfs/dbraw/zinc/29/16/66/975291666.db2.gz GVRUIJCEDSZRRM-AWEZNQCLSA-N -1 0 326.396 3.783 20 0 EHADRM CC(C)Oc1ccc(C(=O)N(CCC(=O)[O-])Cc2ccccc2)cc1 ZINC000648044384 975380144 /nfs/dbraw/zinc/38/01/44/975380144.db2.gz ZVAIYJDZOOKCIL-UHFFFAOYSA-N -1 0 341.407 3.591 20 0 EHADRM C[C@@H](C(=O)N1CCc2cccc(C(=O)[O-])c2C1)c1ccc(Cl)s1 ZINC000649258859 975400937 /nfs/dbraw/zinc/40/09/37/975400937.db2.gz FYTGJCCOACRZNP-SNVBAGLBSA-N -1 0 349.839 3.788 20 0 EHADRM CC(C)Nc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)cn1 ZINC001591667972 975422602 /nfs/dbraw/zinc/42/26/02/975422602.db2.gz KIFQSCJLOUEUBC-UHFFFAOYSA-N -1 0 333.775 3.506 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1C[C@H]1C1CCCC1)c1ccc(Cl)cc1 ZINC000652063221 975463651 /nfs/dbraw/zinc/46/36/51/975463651.db2.gz GNKHGXVZKHMMHE-XHSDSOJGSA-N -1 0 335.831 3.798 20 0 EHADRM CC(C)OC(=O)CS[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001591682444 975475226 /nfs/dbraw/zinc/47/52/26/975475226.db2.gz ORAPVEDHRONRIM-GFCCVEGCSA-N -1 0 337.224 3.804 20 0 EHADRM CC(C)O[C@@H](C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC001591686778 975499415 /nfs/dbraw/zinc/49/94/15/975499415.db2.gz RXCRTOIZYXQILE-RDTXWAMCSA-N -1 0 341.407 3.980 20 0 EHADRM CC(C)O[C@@H]1C[C@@H](Nc2cc(C(=O)[O-])cc3cccnc32)C1(C)C ZINC001591695151 975517059 /nfs/dbraw/zinc/51/70/59/975517059.db2.gz BGPLIMGLARXVKF-HZPDHXFCSA-N -1 0 328.412 3.937 20 0 EHADRM Cc1cc(CN2CC[C@@H](Oc3ccccc3Cl)C2)oc1C(=O)[O-] ZINC000652435175 975530426 /nfs/dbraw/zinc/53/04/26/975530426.db2.gz SEBXSHDDSCYWJC-GFCCVEGCSA-N -1 0 335.787 3.593 20 0 EHADRM O=C([O-])[C@@H](c1ccsc1)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000652429620 975531068 /nfs/dbraw/zinc/53/10/68/975531068.db2.gz FOYXJXMQBAUXNZ-LSDHHAIUSA-N -1 0 337.828 3.601 20 0 EHADRM O=C([O-])[C@@H](c1ccccc1)N1CCO[C@@H](c2c(F)cccc2Cl)C1 ZINC000652436779 975532206 /nfs/dbraw/zinc/53/22/06/975532206.db2.gz ZHGCLHLFDFIDCH-NVXWUHKLSA-N -1 0 349.789 3.678 20 0 EHADRM C[C@@H]1CCN(Cc2csc(-c3ccc(F)cc3)n2)[C@H](C(=O)[O-])C1 ZINC000652502903 975565539 /nfs/dbraw/zinc/56/55/39/975565539.db2.gz SNPZIRNTKUKNFI-ABAIWWIYSA-N -1 0 334.416 3.634 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000653636343 975599513 /nfs/dbraw/zinc/59/95/13/975599513.db2.gz DOBKNHMQKTUZEE-SFHVURJKSA-N -1 0 343.810 3.848 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)Nc2ccc(OC3CCCC3)cc2)c1 ZINC000653637015 975599739 /nfs/dbraw/zinc/59/97/39/975599739.db2.gz AFPSJKMRCGZSIR-UHFFFAOYSA-N -1 0 339.391 3.887 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)c1 ZINC000653638813 975602726 /nfs/dbraw/zinc/60/27/26/975602726.db2.gz GRBWHBMCAMGPIR-IBGZPJMESA-N -1 0 335.403 3.606 20 0 EHADRM Cc1cc(OC(C)C)ccc1NC(=O)c1cccc(CC(=O)[O-])c1 ZINC000653639165 975604444 /nfs/dbraw/zinc/60/44/44/975604444.db2.gz YXBOMUWVGVJBLA-UHFFFAOYSA-N -1 0 327.380 3.662 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)c1 ZINC000653639183 975604538 /nfs/dbraw/zinc/60/45/38/975604538.db2.gz BIBCCRFPJCPOLP-RTBURBONSA-N -1 0 337.419 3.770 20 0 EHADRM CCc1c(NC(=O)CCCCC(=O)[O-])cnn1-c1ccccc1Cl ZINC000655543529 975624721 /nfs/dbraw/zinc/62/47/21/975624721.db2.gz IRHAERFVOYTLFY-UHFFFAOYSA-N -1 0 349.818 3.672 20 0 EHADRM CC(C)c1ccc(OC2CCN(C(=O)CCCCC(=O)[O-])CC2)cc1 ZINC000655548884 975625958 /nfs/dbraw/zinc/62/59/58/975625958.db2.gz KHZRIUMSGDCDMV-UHFFFAOYSA-N -1 0 347.455 3.825 20 0 EHADRM O=C([O-])CCCCC(=O)NCCCc1c(Cl)cccc1Cl ZINC000655558078 975629995 /nfs/dbraw/zinc/62/99/95/975629995.db2.gz NETHSVNGNMSNIM-UHFFFAOYSA-N -1 0 332.227 3.687 20 0 EHADRM O=C([O-])[C@@H]1CCN(Cc2nc(C(F)(F)F)cs2)[C@@H]2CCCC[C@H]12 ZINC000656764688 975694806 /nfs/dbraw/zinc/69/48/06/975694806.db2.gz GVXVIBIBALBZPX-GMTAPVOTSA-N -1 0 348.390 3.627 20 0 EHADRM CC(C)OCc1ccc(C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])cc1 ZINC001591731409 975709463 /nfs/dbraw/zinc/70/94/63/975709463.db2.gz XRSGDGQYXTZQPI-SFHVURJKSA-N -1 0 347.455 3.623 20 0 EHADRM CCOc1ccc(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)cc1Cl ZINC000659120484 975717113 /nfs/dbraw/zinc/71/71/13/975717113.db2.gz WAQXUJJTOUKKQO-UHFFFAOYSA-N -1 0 337.803 3.712 20 0 EHADRM CC1CC(C(=O)NCCCCCC(=O)[O-])(c2cccc(Cl)c2)C1 ZINC000659129396 975728161 /nfs/dbraw/zinc/72/81/61/975728161.db2.gz OLWLMLZRYNMGEW-UHFFFAOYSA-N -1 0 337.847 3.769 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000659144800 975744637 /nfs/dbraw/zinc/74/46/37/975744637.db2.gz FCDGQRNHXIGAHB-BONVTDFDSA-N -1 0 331.343 3.649 20 0 EHADRM CC(C)Oc1c(NC(=O)N[C@@H]2CCCC[C@H]2F)cccc1C(=O)[O-] ZINC001591746570 975784796 /nfs/dbraw/zinc/78/47/96/975784796.db2.gz LTWNSCOWGLPNBG-CHWSQXEVSA-N -1 0 338.379 3.574 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N(C)c1cccc(O)c1 ZINC001591763288 975865962 /nfs/dbraw/zinc/86/59/62/975865962.db2.gz MJDHZLKXGZZICS-UHFFFAOYSA-N -1 0 344.367 3.546 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N(C)Cc1ccsc1 ZINC001591763593 975870588 /nfs/dbraw/zinc/87/05/88/975870588.db2.gz WJEWXJZOJFIEPB-UHFFFAOYSA-N -1 0 348.424 3.897 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CCCC2(CC2)C1 ZINC001591767306 975878484 /nfs/dbraw/zinc/87/84/84/975878484.db2.gz KGBXVIIGLGALRD-UHFFFAOYSA-N -1 0 332.400 3.580 20 0 EHADRM CC(C)Oc1ccc(COC(=O)c2occc2C(=O)[O-])cc1Cl ZINC001591775175 975916336 /nfs/dbraw/zinc/91/63/36/975916336.db2.gz JRHOHWATCGVXSA-UHFFFAOYSA-N -1 0 338.743 3.775 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@@H]2CCSc3ccccc32)CCCCC1 ZINC000663123045 975925641 /nfs/dbraw/zinc/92/56/41/975925641.db2.gz IVEHAIQFGHHWAZ-CQSZACIVSA-N -1 0 333.453 3.560 20 0 EHADRM CC(C)Oc1ccc(NC(=O)CCCC(=O)C(C)(C)C)c(C(=O)[O-])c1 ZINC001591781381 975953262 /nfs/dbraw/zinc/95/32/62/975953262.db2.gz YTLFQXDOTUIMLP-UHFFFAOYSA-N -1 0 349.427 3.896 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])cc1Cl ZINC001591787832 975965357 /nfs/dbraw/zinc/96/53/57/975965357.db2.gz DJGDAZJYGPEOOG-YPMHNXCESA-N -1 0 340.807 3.502 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)NCCCCC(=O)[O-])CCC2 ZINC000666539008 975967666 /nfs/dbraw/zinc/96/76/66/975967666.db2.gz CZORVXXQUOBZCX-QGZVFWFLSA-N -1 0 332.444 3.742 20 0 EHADRM CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)NCCCCC(=O)[O-] ZINC000666542948 975969015 /nfs/dbraw/zinc/96/90/15/975969015.db2.gz PKXCAFCAPMWJQG-QAPCUYQASA-N -1 0 332.444 3.500 20 0 EHADRM CC(C)Oc1ccc(NC(=O)c2ccnc(C3CC3)c2)c(C(=O)[O-])c1 ZINC001591788289 975971607 /nfs/dbraw/zinc/97/16/07/975971607.db2.gz YXGXOJIYXUYXRH-UHFFFAOYSA-N -1 0 340.379 3.697 20 0 EHADRM CCC[C@](C)(NC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1)C(=O)[O-] ZINC000668269973 975979743 /nfs/dbraw/zinc/97/97/43/975979743.db2.gz XMGFBIXFQSTCLR-INIZCTEOSA-N -1 0 345.361 3.900 20 0 EHADRM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)Cc3ccccc3C(=O)[O-])C2)cc1 ZINC000668300197 975991220 /nfs/dbraw/zinc/99/12/20/975991220.db2.gz DJAAMMGEIXSMRH-QAPCUYQASA-N -1 0 337.419 3.640 20 0 EHADRM CC(C)Oc1cccc(CN(C)Cc2cc(C(=O)[O-])ccc2F)c1 ZINC001591792199 975996576 /nfs/dbraw/zinc/99/65/76/975996576.db2.gz MHHMJOLRKIKIAR-UHFFFAOYSA-N -1 0 331.387 3.943 20 0 EHADRM Cc1ccc(-c2ncc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])s2)c(C)c1 ZINC000675966624 976020620 /nfs/dbraw/zinc/02/06/20/976020620.db2.gz MTIBAWZBJXUYHI-AWEZNQCLSA-N -1 0 346.452 3.656 20 0 EHADRM CCC[C@](C)(NC(=O)c1cnc(-c2ccc(C)cc2C)s1)C(=O)[O-] ZINC000675968036 976021264 /nfs/dbraw/zinc/02/12/64/976021264.db2.gz DEWKQTFFVQJQJR-SFHVURJKSA-N -1 0 346.452 3.800 20 0 EHADRM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000676001664 976026243 /nfs/dbraw/zinc/02/62/43/976026243.db2.gz NGPIMCVHTSIOQR-UONOGXRCSA-N -1 0 345.782 3.789 20 0 EHADRM Cc1ccc(/C=C\CC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1 ZINC000679094869 976039674 /nfs/dbraw/zinc/03/96/74/976039674.db2.gz SDJRWOKQBRXEES-HMECNJMJSA-N -1 0 335.403 3.609 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)C1(c3ccccc3)CCCC1)CC2 ZINC000679097091 976041301 /nfs/dbraw/zinc/04/13/01/976041301.db2.gz BGWKXVUEBKHKIT-UHFFFAOYSA-N -1 0 349.430 3.782 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000679100699 976042924 /nfs/dbraw/zinc/04/29/24/976042924.db2.gz DMGPNEUAGTTZRR-MGPQQGTHSA-N -1 0 335.469 3.509 20 0 EHADRM Cc1ccccc1C(C)(C)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000679104752 976046519 /nfs/dbraw/zinc/04/65/19/976046519.db2.gz XWRFKYNSZWZMSY-HNNXBMFYSA-N -1 0 331.456 3.622 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc2ccc(Cl)cc2n1)C1CCCCC1 ZINC000683309503 976084878 /nfs/dbraw/zinc/08/48/78/976084878.db2.gz IIDYOAQTSJJCID-UHFFFAOYSA-N -1 0 346.814 3.748 20 0 EHADRM CC(C)Sc1ccccc1NC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001591829421 976091800 /nfs/dbraw/zinc/09/18/00/976091800.db2.gz LVAPRMLWXPXNEX-CHWSQXEVSA-N -1 0 336.457 3.762 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CC(=O)OCc2cc(C(=O)[O-])no2)c2ccccc21 ZINC001591846068 976126219 /nfs/dbraw/zinc/12/62/19/976126219.db2.gz JDYBKAYGNOYJDG-LRDDRELGSA-N -1 0 343.379 3.733 20 0 EHADRM O=C(c1cc(Br)c(F)cc1[O-])N1CCC2(CCC2)CC1 ZINC000650095787 1014312497 /nfs/dbraw/zinc/31/24/97/1014312497.db2.gz WRNOJGSPMTYGAR-UHFFFAOYSA-N -1 0 342.208 3.700 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)CC1 ZINC001591907769 976313563 /nfs/dbraw/zinc/31/35/63/976313563.db2.gz YIIAUWCDZRRPCY-BZSNNMDCSA-N -1 0 331.456 3.651 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccc3ccccc32)nc1 ZINC001591942680 976471004 /nfs/dbraw/zinc/47/10/04/976471004.db2.gz YGMJCAGGFZIBMI-LJQANCHMSA-N -1 0 348.402 3.914 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)NCCSCCC(=O)[O-])cc1 ZINC001591948160 976498090 /nfs/dbraw/zinc/49/80/90/976498090.db2.gz CGUTUKRQTQUOPD-ARJAWSKDSA-N -1 0 335.469 3.537 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)NCCSCCC(=O)[O-])cc1 ZINC001591948161 976498371 /nfs/dbraw/zinc/49/83/71/976498371.db2.gz CGUTUKRQTQUOPD-ONEGZZNKSA-N -1 0 335.469 3.537 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)OCc2cnc(C(=O)[O-])cn2)cc1 ZINC001591948331 976499438 /nfs/dbraw/zinc/49/94/38/976499438.db2.gz FKKDUJFTNBXGGO-CYBMUJFWSA-N -1 0 342.395 3.535 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])cc1 ZINC001591948990 976504843 /nfs/dbraw/zinc/50/48/43/976504843.db2.gz OFKLMKFZAQGCKW-YBXYLWMYSA-N -1 0 329.440 3.973 20 0 EHADRM CC(C)c1ccc(CCCNC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC001591952964 976515459 /nfs/dbraw/zinc/51/54/59/976515459.db2.gz QVGTVKMYLYBRSI-ZRDIBKRKSA-N -1 0 341.407 3.863 20 0 EHADRM CC(C)c1ccc2occ(C(=O)NC[C@H](CC(=O)[O-])C3CC3)c2c1 ZINC001591980593 976593817 /nfs/dbraw/zinc/59/38/17/976593817.db2.gz HVPPYQRZGZRVBD-AWEZNQCLSA-N -1 0 329.396 3.787 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C)CCC2 ZINC001591981167 976596368 /nfs/dbraw/zinc/59/63/68/976596368.db2.gz QEKZQQHPUZNZLR-SKDZVZGDSA-N -1 0 344.455 3.692 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)N[C@H]1CC=C(C(=O)[O-])C1)CCC2 ZINC001591981575 976597348 /nfs/dbraw/zinc/59/73/48/976597348.db2.gz RPGIHBJARRAXHI-WMZOPIPTSA-N -1 0 342.439 3.660 20 0 EHADRM CC(C)c1cccc(C(=O)N(Cc2ccccc2)C(C)(C)C(=O)[O-])n1 ZINC001591983730 976604145 /nfs/dbraw/zinc/60/41/45/976604145.db2.gz RDULKIIXHRGNIE-UHFFFAOYSA-N -1 0 340.423 3.711 20 0 EHADRM CC(C)c1cccc2c1CCN(C(=O)C1(C(=O)[O-])CC3(CCC3)C1)C2 ZINC001591994148 976628856 /nfs/dbraw/zinc/62/88/56/976628856.db2.gz DRAASHGYECYUME-UHFFFAOYSA-N -1 0 341.451 3.730 20 0 EHADRM CC(C)c1ccccc1OCCC(=O)O[C@H](C)c1nc(C(=O)[O-])co1 ZINC001592004975 976670894 /nfs/dbraw/zinc/67/08/94/976670894.db2.gz YZCJRMKVPRZMMB-GFCCVEGCSA-N -1 0 347.367 3.570 20 0 EHADRM CC(C)c1nc(NC(=O)/C=C/C=C(Cl)Cl)sc1C(=O)[O-] ZINC001592021258 976713343 /nfs/dbraw/zinc/71/33/43/976713343.db2.gz AKICFBZEBCSMSZ-HWKANZROSA-N -1 0 335.212 3.778 20 0 EHADRM CC(C)c1nc2cc(NC(=O)Nc3ccc(C(=O)[O-])cn3)ccc2o1 ZINC001592030148 976732751 /nfs/dbraw/zinc/73/27/51/976732751.db2.gz BRPZUZCPAJMNNU-UHFFFAOYSA-N -1 0 340.339 3.688 20 0 EHADRM CC(C)c1nc(N[C@@H](C[C@@H]2CCCOC2)C(=O)[O-])cc(C(C)(C)C)n1 ZINC001592030154 976734398 /nfs/dbraw/zinc/73/43/98/976734398.db2.gz CAXRBYILRNVDEZ-KBPBESRZSA-N -1 0 349.475 3.579 20 0 EHADRM CC(C)c1nn(C)cc1N[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC001592050783 976792100 /nfs/dbraw/zinc/79/21/00/976792100.db2.gz WBYUBRPZDZXBBQ-CQSZACIVSA-N -1 0 341.333 3.800 20 0 EHADRM CC(C)n1cc2ccc(NC(=O)c3ccc(C(=O)[O-])cc3F)cc2n1 ZINC001592131786 976970458 /nfs/dbraw/zinc/97/04/58/976970458.db2.gz YJQGMWSLGXLPHV-UHFFFAOYSA-N -1 0 341.342 3.707 20 0 EHADRM O=C([O-])c1ccc(CN2Cc3ccc(Br)cc3C2)s1 ZINC000707898851 977404461 /nfs/dbraw/zinc/40/44/61/977404461.db2.gz KLWLAXZEKSJSMK-UHFFFAOYSA-N -1 0 338.226 3.725 20 0 EHADRM C[C@H](CC(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1)C1CCCCC1 ZINC001592255165 977494987 /nfs/dbraw/zinc/49/49/87/977494987.db2.gz ZXCAOJPQTJDYGX-CXAGYDPISA-N -1 0 335.419 3.717 20 0 EHADRM C[C@H](CC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)c1ccncc1 ZINC001592261905 977504401 /nfs/dbraw/zinc/50/44/01/977504401.db2.gz JEFHQVWVVUOZPB-SECBINFHSA-N -1 0 336.750 3.705 20 0 EHADRM C[C@H](CC(=O)Nc1cc(C(=O)[O-])cc(Cl)c1Cl)[C@H]1CCCO1 ZINC001592262474 977508309 /nfs/dbraw/zinc/50/83/09/977508309.db2.gz VEYTZQHCACCAGT-PRHODGIISA-N -1 0 346.210 3.835 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)Nc1cc(Cl)ccc1Cl ZINC000319824041 1014402213 /nfs/dbraw/zinc/40/22/13/1014402213.db2.gz YPPNLOBJSDBNJH-JQEORGNBSA-N -1 0 343.210 3.710 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000654794794 1014407601 /nfs/dbraw/zinc/40/76/01/1014407601.db2.gz FZUZKKRHIMYNKV-CVEARBPZSA-N -1 0 340.423 3.741 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N1CCCCC[C@H]1Cc1ccccc1Cl ZINC001592341819 977792292 /nfs/dbraw/zinc/79/22/92/977792292.db2.gz FMHMFUOJBGPZFW-HIFRSBDPSA-N -1 0 337.847 3.765 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)Nc1nc(C(C)(C)c2ccccc2)cs1 ZINC001592367500 977872690 /nfs/dbraw/zinc/87/26/90/977872690.db2.gz OZYSSVBBBDVFMT-NSHDSACASA-N -1 0 332.425 3.518 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@@](C)(Cc1ccccc1)c1ccccc1 ZINC001592381197 977918137 /nfs/dbraw/zinc/91/81/37/977918137.db2.gz CWUABDBHYQEYTA-IERDGZPVSA-N -1 0 339.435 3.762 20 0 EHADRM CCCN(C(=O)N[C@H](C)c1ccc(SC)cc1)[C@H](CC)C(=O)[O-] ZINC000654815672 1014439068 /nfs/dbraw/zinc/43/90/68/1014439068.db2.gz BHZWJEKGJIDJDT-IUODEOHRSA-N -1 0 338.473 3.754 20 0 EHADRM C[C@H](CC(=O)O[C@H]1CCCC[C@@H]1C(=O)[O-])c1c[nH]c2ccccc21 ZINC001592430252 978061827 /nfs/dbraw/zinc/06/18/27/978061827.db2.gz WXJWBDASZWKQAN-IFIJOSMWSA-N -1 0 329.396 3.848 20 0 EHADRM C[C@H](CC(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21)c1ccncc1 ZINC001592430201 978062296 /nfs/dbraw/zinc/06/22/96/978062296.db2.gz WBAFNUSSLQIGAV-ACJLOTCBSA-N -1 0 339.391 3.894 20 0 EHADRM C[C@H](CCC(=O)N[C@@](C)(C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC001592471112 978229631 /nfs/dbraw/zinc/22/96/31/978229631.db2.gz PXYCLUCBCGVLFO-JLTOFOAXSA-N -1 0 343.398 3.826 20 0 EHADRM C[C@H](CCC(C)(C)C)NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001592478213 978250388 /nfs/dbraw/zinc/25/03/88/978250388.db2.gz QUVRXCXMKTZHPK-GFCCVEGCSA-N -1 0 330.428 3.740 20 0 EHADRM C[C@H](CCC(C)(C)C)C(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC001592478198 978250615 /nfs/dbraw/zinc/25/06/15/978250615.db2.gz QNXDPWPDMHYYGK-YGRLFVJLSA-N -1 0 327.371 3.669 20 0 EHADRM C[C@@H](CCCC(F)(F)F)NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001592478820 978254413 /nfs/dbraw/zinc/25/44/13/978254413.db2.gz YNRWIOKIUMBOQM-NSHDSACASA-N -1 0 331.334 3.555 20 0 EHADRM C[C@H](CCNC(=O)NCC1(CC(=O)[O-])CCCC1)c1ccccc1 ZINC001592512785 978338807 /nfs/dbraw/zinc/33/88/07/978338807.db2.gz DXCDYTRGQKJUPO-OAHLLOKOSA-N -1 0 332.444 3.515 20 0 EHADRM C[C@@H](CCNC(=O)NCc1ccc(C(=O)[O-])cc1F)CC(C)(C)C ZINC001592520365 978368257 /nfs/dbraw/zinc/36/82/57/978368257.db2.gz HVZNKIYLWUSKOB-LBPRGKRZSA-N -1 0 338.423 3.786 20 0 EHADRM Cc1ccc(S(=O)(=O)C2=C([O-])c3ccccc3CCC2)cc1C ZINC000683141819 1014489505 /nfs/dbraw/zinc/48/95/05/1014489505.db2.gz VNDVNEWUHMBQIS-GOSISDBHSA-N -1 0 328.433 3.665 20 0 EHADRM COc1ccc(NC(=O)c2cc3c(cc(C)cc3C)[nH]2)c(C(=O)[O-])c1 ZINC000738035168 978468643 /nfs/dbraw/zinc/46/86/43/978468643.db2.gz WVJQZTUDIHWFLD-UHFFFAOYSA-N -1 0 338.363 3.744 20 0 EHADRM Cc1[nH]c(C(=O)Nc2cc(-c3ccccc3)ns2)c(C)c1C(=O)[O-] ZINC000738157940 978488759 /nfs/dbraw/zinc/48/87/59/978488759.db2.gz TXCNKHYWSIOBST-UHFFFAOYSA-N -1 0 341.392 3.706 20 0 EHADRM Cc1ccnc(Oc2cc(NC(=O)CCCC(=O)[O-])ccc2C)c1 ZINC000753967163 978695424 /nfs/dbraw/zinc/69/54/24/978695424.db2.gz GNOWVYAKTZRTEK-UHFFFAOYSA-N -1 0 328.368 3.684 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCCc1ccc2ccccc2c1)C1CC1 ZINC000761642770 978712944 /nfs/dbraw/zinc/71/29/44/978712944.db2.gz NWABMXQGCALLQZ-SFHVURJKSA-N -1 0 325.408 3.532 20 0 EHADRM C/C(=C\c1ccccc1Cl)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000761690789 978714661 /nfs/dbraw/zinc/71/46/61/978714661.db2.gz SQKOXSPTKWIDEX-FMIVXFBMSA-N -1 0 329.783 3.758 20 0 EHADRM CCCCC[C@@H](NC(=O)C[C@@H](C)c1ccc(F)cc1F)C(=O)[O-] ZINC000761836986 978715298 /nfs/dbraw/zinc/71/52/98/978715298.db2.gz OZZCYYIBGMXQFX-IAQYHMDHSA-N -1 0 327.371 3.608 20 0 EHADRM Cc1nc2ccccc2cc1C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000761950641 978716329 /nfs/dbraw/zinc/71/63/29/978716329.db2.gz IUISDIXODBTNLV-UHFFFAOYSA-N -1 0 340.423 3.698 20 0 EHADRM Cc1c(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cnc2ccccc12 ZINC000761977130 978716415 /nfs/dbraw/zinc/71/64/15/978716415.db2.gz GEFLSOPMUVPIJV-CQSZACIVSA-N -1 0 340.423 3.506 20 0 EHADRM C[C@@]1(NC(=O)c2cc3c(cccc3F)s2)CCCC[C@H]1C(=O)[O-] ZINC000762227464 978718771 /nfs/dbraw/zinc/71/87/71/978718771.db2.gz GGLUNWXSAQNQBW-APPDUMDISA-N -1 0 335.400 3.804 20 0 EHADRM C[C@]1(NC(=O)c2cc3c(cccc3F)s2)CCCC[C@@H]1C(=O)[O-] ZINC000762227465 978718837 /nfs/dbraw/zinc/71/88/37/978718837.db2.gz GGLUNWXSAQNQBW-DIFFPNOSSA-N -1 0 335.400 3.804 20 0 EHADRM C[C@]1(NC(=O)c2cc3c(cccc3F)s2)CCCC[C@H]1C(=O)[O-] ZINC000762227466 978718993 /nfs/dbraw/zinc/71/89/93/978718993.db2.gz GGLUNWXSAQNQBW-GTNSWQLSSA-N -1 0 335.400 3.804 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)/C(=C\c1ccc(F)cc1)c1cccs1 ZINC000763499381 978723229 /nfs/dbraw/zinc/72/32/29/978723229.db2.gz VDPOWYYGMFXJCL-QINSGFPZSA-N -1 0 347.411 3.751 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1c[nH]cc1-c1ccccc1 ZINC000766844555 978726637 /nfs/dbraw/zinc/72/66/37/978726637.db2.gz WPRCYMPOKJMWGV-UHFFFAOYSA-N -1 0 332.359 3.583 20 0 EHADRM Cc1cc(/C=C/C(=O)N(C)[C@H](C)C(=O)[O-])c(C)n1C1CCCCC1 ZINC000767018066 978731694 /nfs/dbraw/zinc/73/16/94/978731694.db2.gz LPCDVQHMZXEWLM-AUECHBEKSA-N -1 0 332.444 3.555 20 0 EHADRM CCOCCC1(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CCCC1 ZINC000776641223 978764625 /nfs/dbraw/zinc/76/46/25/978764625.db2.gz WWAYSFZGMZBPNC-UHFFFAOYSA-N -1 0 339.819 3.964 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2cccc(C3SCCS3)c2)n1 ZINC000776685186 978770732 /nfs/dbraw/zinc/77/07/32/978770732.db2.gz QZBCCHWJAFOOPI-UHFFFAOYSA-N -1 0 346.433 3.511 20 0 EHADRM O=C([O-])c1cnc(/C=C/c2cnn(Cc3ccccc3)c2Cl)s1 ZINC000789127039 978798027 /nfs/dbraw/zinc/79/80/27/978798027.db2.gz HVKOTGBWSQVHAH-VOTSOKGWSA-N -1 0 345.811 3.910 20 0 EHADRM COc1ccc(NC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1Cl ZINC000811811761 978855846 /nfs/dbraw/zinc/85/58/46/978855846.db2.gz GOLPVKZZIXFLQQ-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM CCOc1cccc([C@H](C)NC(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000811815429 978859055 /nfs/dbraw/zinc/85/90/55/978859055.db2.gz PSFFACJUJZHKCO-NSHDSACASA-N -1 0 347.798 3.928 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N2CCCc3sccc3C2)c1 ZINC000811817266 978860614 /nfs/dbraw/zinc/86/06/14/978860614.db2.gz RLTMFEJETXDFHW-UHFFFAOYSA-N -1 0 335.812 3.688 20 0 EHADRM Cc1cc(C)cc(CCNC(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000811819784 978863847 /nfs/dbraw/zinc/86/38/47/978863847.db2.gz WLURWSYBKQRFJG-UHFFFAOYSA-N -1 0 331.799 3.628 20 0 EHADRM C[C@H](NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)[C@@H](C)c1ccccc1 ZINC000827646036 978962900 /nfs/dbraw/zinc/96/29/00/978962900.db2.gz NTJPNWSQKRNXQJ-CABCVRRESA-N -1 0 340.423 3.718 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)[C@H](C)c1ccccc1 ZINC000827671569 978963362 /nfs/dbraw/zinc/96/33/62/978963362.db2.gz IJEVZYSDHSTPMD-NWDGAFQWSA-N -1 0 330.359 3.838 20 0 EHADRM CCOc1cc(C)ccc1CNC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000830044733 979011500 /nfs/dbraw/zinc/01/15/00/979011500.db2.gz RCAUXNCWDDQYSP-UHFFFAOYSA-N -1 0 342.395 3.722 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)O[C@@H](C)c1nc(C(=O)[O-])co1 ZINC001595016059 979068286 /nfs/dbraw/zinc/06/82/86/979068286.db2.gz QMXCKBXFFSLHKX-NEPJUHHUSA-N -1 0 347.367 3.570 20 0 EHADRM CC[C@H](C)n1ncc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c1C ZINC001595023637 979117009 /nfs/dbraw/zinc/11/70/09/979117009.db2.gz JSCUNJBJRMZRHC-KNXALSJPSA-N -1 0 341.411 3.603 20 0 EHADRM CC[C@@H](CC(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)[O-])C(C)(C)C ZINC001595033246 979174303 /nfs/dbraw/zinc/17/43/03/979174303.db2.gz GJDUHXABOOGAKG-SJORKVTESA-N -1 0 333.472 3.817 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)O[C@H](c1nccs1)c1ccccc1 ZINC000833456173 979187753 /nfs/dbraw/zinc/18/77/53/979187753.db2.gz GVIDJHZFYIJGGD-HNNXBMFYSA-N -1 0 333.409 3.667 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)O[C@@H](c1nccs1)c1ccccc1 ZINC000833456174 979187921 /nfs/dbraw/zinc/18/79/21/979187921.db2.gz GVIDJHZFYIJGGD-OAHLLOKOSA-N -1 0 333.409 3.667 20 0 EHADRM CC[C@@H](CC(F)(F)F)C(=O)N[C@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC001595038265 979208001 /nfs/dbraw/zinc/20/80/01/979208001.db2.gz FNVUQQXKMJKFET-ZUZCIYMTSA-N -1 0 349.324 3.610 20 0 EHADRM CCC(CC)(C(=O)Nc1ccc(C(=O)[O-])cc1C)C(=O)OC(C)(C)C ZINC001595041523 979225714 /nfs/dbraw/zinc/22/57/14/979225714.db2.gz PUZXKRHWOJDBGQ-UHFFFAOYSA-N -1 0 349.427 3.780 20 0 EHADRM CC[C@H](CC(F)(F)F)Nc1ncc(C(=O)[O-])cc1C(F)(F)F ZINC001595041921 979230507 /nfs/dbraw/zinc/23/05/07/979230507.db2.gz GQFFEXNEVQGQMB-SSDOTTSWSA-N -1 0 330.228 3.942 20 0 EHADRM C[C@@H](CNc1cnc(C(=O)[O-])cn1)c1c(Cl)cccc1Cl ZINC001592728235 979235197 /nfs/dbraw/zinc/23/51/97/979235197.db2.gz DXPLNNYNOUWMMP-QMMMGPOBSA-N -1 0 326.183 3.697 20 0 EHADRM Cc1cc(Nc2cccc(C(=O)[O-])n2)cnc1N1CCCC[C@@H]1C ZINC000833746485 979235952 /nfs/dbraw/zinc/23/59/52/979235952.db2.gz APNLECIZHXEVPR-ZDUSSCGKSA-N -1 0 326.400 3.606 20 0 EHADRM CCC(CC)(CNC(=O)N1CC2(CCCC2)[C@@H]1c1ccco1)C(=O)[O-] ZINC001595068736 979334475 /nfs/dbraw/zinc/33/44/75/979334475.db2.gz RKEBUCXEMKNCFP-HNNXBMFYSA-N -1 0 348.443 3.797 20 0 EHADRM C[C@@H](NCc1ccc(CSC(F)F)o1)c1ncc(C(=O)[O-])s1 ZINC000843306262 979336354 /nfs/dbraw/zinc/33/63/54/979336354.db2.gz PJSZMXOFTNIGOW-SSDOTTSWSA-N -1 0 348.396 3.741 20 0 EHADRM CCC(CC)(CNC(=O)c1cc2cc(Cl)sc2[nH]1)C(=O)[O-] ZINC001595073244 979346987 /nfs/dbraw/zinc/34/69/87/979346987.db2.gz RKIPUXJYWLZIHR-UHFFFAOYSA-N -1 0 328.821 3.504 20 0 EHADRM C[C@](COC(=O)CC[C@@H]1CC1(Cl)Cl)(C(=O)[O-])c1ccccc1 ZINC001592764432 979366303 /nfs/dbraw/zinc/36/63/03/979366303.db2.gz KRKICXVHQUJHIE-IUODEOHRSA-N -1 0 345.222 3.546 20 0 EHADRM O=C([O-])CC1(CC(=O)NCCC[C@@H]2CC2(Cl)Cl)CCCC1 ZINC000844267454 979395860 /nfs/dbraw/zinc/39/58/60/979395860.db2.gz CPZSERRQGIKXAW-LLVKDONJSA-N -1 0 336.259 3.502 20 0 EHADRM CCC(CC)CNc1cc(I)cc(C(=O)[O-])c1 ZINC001595116410 979475286 /nfs/dbraw/zinc/47/52/86/979475286.db2.gz RFLCPCHCRFOWKV-UHFFFAOYSA-N -1 0 347.196 3.838 20 0 EHADRM C/C(=C\c1ccco1)C(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC000848877921 979482478 /nfs/dbraw/zinc/48/24/78/979482478.db2.gz WMKUIDBZGWPBIJ-FYWRMAATSA-N -1 0 327.380 3.577 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2CCC[C@H]3C[C@H]32)ccc1N1CCCCC1 ZINC000849173156 979485559 /nfs/dbraw/zinc/48/55/59/979485559.db2.gz MTZCKVQRXVHGEW-NUEKZKHPSA-N -1 0 342.439 3.750 20 0 EHADRM CCC(CC)n1nc(-c2nc(-c3cc(C(=O)[O-])co3)no2)cc1C ZINC001595125095 979506994 /nfs/dbraw/zinc/50/69/94/979506994.db2.gz ZHZSVWYLKYDNMD-UHFFFAOYSA-N -1 0 330.344 3.561 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)N[C@](C)(CC(=O)[O-])c1cccnc1 ZINC001595125670 979509006 /nfs/dbraw/zinc/50/90/06/979509006.db2.gz FUGXHORMAMHXHH-OXQOHEQNSA-N -1 0 346.471 3.884 20 0 EHADRM O=C([O-])CCCCCCNC(=O)[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000851598508 979515589 /nfs/dbraw/zinc/51/55/89/979515589.db2.gz WSABVBYLFRAVKZ-ROUUACIJSA-N -1 0 331.456 3.797 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)[C@H]1CCCC2(CC2)C1)c1cccc(Cl)c1 ZINC000851599726 979517627 /nfs/dbraw/zinc/51/76/27/979517627.db2.gz BGNXVPLZGHZUMP-DZGCQCFKSA-N -1 0 335.831 3.942 20 0 EHADRM CC[C@H]1c2ccccc2CCN1C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851602761 979523388 /nfs/dbraw/zinc/52/33/88/979523388.db2.gz ZTGXNLGFWVFWJF-DZZUKKPASA-N -1 0 325.364 3.527 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851603208 979525263 /nfs/dbraw/zinc/52/52/63/979525263.db2.gz LMGDJTIZQHJUSV-XPMWWOIKSA-N -1 0 343.354 3.665 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)o1 ZINC000851607896 979533771 /nfs/dbraw/zinc/53/37/71/979533771.db2.gz VGLSZAOBUGFXON-BSLWVNCTSA-N -1 0 343.354 3.583 20 0 EHADRM C[C@H](CSCC(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001592824063 979535171 /nfs/dbraw/zinc/53/51/71/979535171.db2.gz CVJICHAHDWRQSB-CYBMUJFWSA-N -1 0 329.421 3.860 20 0 EHADRM CC(C)c1cccc(C(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)c1 ZINC000851608715 979535625 /nfs/dbraw/zinc/53/56/25/979535625.db2.gz MSCMSXHVOUQXDU-NRFANRHFSA-N -1 0 337.419 3.679 20 0 EHADRM C[C@@H](CSC(F)(F)F)C(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC001592825219 979541518 /nfs/dbraw/zinc/54/15/18/979541518.db2.gz RXZZJOLHGYQBKN-LURJTMIESA-N -1 0 342.722 3.833 20 0 EHADRM C/C(=C\C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21)c1ccc(F)cc1 ZINC000851619298 979546721 /nfs/dbraw/zinc/54/67/21/979546721.db2.gz TXGGZZLMUKZCME-LPJXYHDHSA-N -1 0 345.414 3.721 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)/C=C\SCc2ccco2)[C@@H]2CCCC[C@H]12 ZINC000851619858 979548737 /nfs/dbraw/zinc/54/87/37/979548737.db2.gz XYLUGMWWARPVQG-LEPAZDHUSA-N -1 0 349.452 3.518 20 0 EHADRM C[C@H](CSCc1ccccc1)C(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1 ZINC001592826369 979550106 /nfs/dbraw/zinc/55/01/06/979550106.db2.gz ZZXUHJDPKWHDEX-SPYBWZPUSA-N -1 0 349.496 3.706 20 0 EHADRM C[C@H](CSc1ccc(F)cc1)C(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC001592830050 979552223 /nfs/dbraw/zinc/55/22/23/979552223.db2.gz GMKMSQGOAPPLGD-SNVBAGLBSA-N -1 0 349.383 3.596 20 0 EHADRM CC(C)c1ccc(C[C@H](C)NC(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC001592833118 979569031 /nfs/dbraw/zinc/56/90/31/979569031.db2.gz BBNBZHAKZLRQKD-AWEZNQCLSA-N -1 0 325.408 3.869 20 0 EHADRM O=C([O-])[C@@H]1CCN(C[C@H](O)c2ccc(F)cc2Cl)c2ccccc21 ZINC000851706069 979571327 /nfs/dbraw/zinc/57/13/27/979571327.db2.gz BPLXIHYHZDFXCR-DYVFJYSZSA-N -1 0 349.789 3.591 20 0 EHADRM C[C@@](Cc1ccc(Cl)cc1)(NC(=O)C=C1CCCCC1)C(=O)[O-] ZINC001592838893 979592002 /nfs/dbraw/zinc/59/20/02/979592002.db2.gz RPWZWRBNGCZKFZ-SFHVURJKSA-N -1 0 335.831 3.733 20 0 EHADRM C[C@H](Cc1ccc(Cl)s1)OC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001592840249 979604192 /nfs/dbraw/zinc/60/41/92/979604192.db2.gz VEIFOZCXTLMMCN-GMTAPVOTSA-N -1 0 330.833 3.767 20 0 EHADRM CN(C(=O)Nc1cc(C(=O)[O-])cc(C(F)(F)F)c1)C1CCCC1 ZINC000321167522 1014592454 /nfs/dbraw/zinc/59/24/54/1014592454.db2.gz QPCOBEOPNUHEDD-UHFFFAOYSA-N -1 0 330.306 3.810 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)Cc2ccc(F)cc2Cl)cc1)C(=O)[O-] ZINC001592858742 979675958 /nfs/dbraw/zinc/67/59/58/979675958.db2.gz KSIFEXRAZSQNRH-LLVKDONJSA-N -1 0 349.789 3.924 20 0 EHADRM CC[C@@H](CNC(=O)c1c(F)cccc1Sc1ccccc1)C(=O)[O-] ZINC001595159939 979680255 /nfs/dbraw/zinc/68/02/55/979680255.db2.gz SEQZBBINXVSDEV-LBPRGKRZSA-N -1 0 347.411 3.818 20 0 EHADRM CC[C@@](CNC(=O)c1ccc(C)c(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC001595160634 979686782 /nfs/dbraw/zinc/68/67/82/979686782.db2.gz OHWMVRHCIYYJSE-IBGZPJMESA-N -1 0 345.826 3.811 20 0 EHADRM Cc1ccc(C[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC000864108040 979697108 /nfs/dbraw/zinc/69/71/08/979697108.db2.gz JMGJEFHKBCJPRC-SLWQEBJJSA-N -1 0 339.391 3.533 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)cc1C(=O)[O-] ZINC000864113905 979705831 /nfs/dbraw/zinc/70/58/31/979705831.db2.gz WZSPWGGAHCMKDR-MAUKXSAKSA-N -1 0 337.419 3.959 20 0 EHADRM CC[C@](C)(NC(=O)Cc1coc2c1ccc(Cl)c2Cl)C(=O)[O-] ZINC000864115079 979707812 /nfs/dbraw/zinc/70/78/12/979707812.db2.gz LHIDQFMVRPBEAJ-HNNXBMFYSA-N -1 0 344.194 3.652 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N[C@H]2CC3CCC2CC3)cc1)C(=O)[O-] ZINC001592866959 979713361 /nfs/dbraw/zinc/71/33/61/979713361.db2.gz NCDXGZZGUKSRLB-CRELMNQXSA-N -1 0 330.428 3.650 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1C(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000864119992 979715491 /nfs/dbraw/zinc/71/54/91/979715491.db2.gz RMGQIWSKGDDASU-SFHVURJKSA-N -1 0 339.391 3.770 20 0 EHADRM O=C([O-])CCCCCNC(=O)/C=C\c1ccc(F)c2ccccc12 ZINC000864120593 979716132 /nfs/dbraw/zinc/71/61/32/979716132.db2.gz ZAAGIWKUWQOCOR-BENRWUELSA-N -1 0 329.371 3.753 20 0 EHADRM Cc1ccccc1C1(C(=O)NCCCCCCC(=O)[O-])CCCC1 ZINC000864120736 979717325 /nfs/dbraw/zinc/71/73/25/979717325.db2.gz LXLDYPVAIBTYIF-UHFFFAOYSA-N -1 0 331.456 3.958 20 0 EHADRM C[C@H](CCc1ccc(F)cc1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000864121960 979718632 /nfs/dbraw/zinc/71/86/32/979718632.db2.gz NRXLIFSHFWRPDT-CQSZACIVSA-N -1 0 343.398 3.751 20 0 EHADRM O=C([O-])c1coc(/C=C\C(=O)N(Cc2ccco2)C2CCCC2)c1 ZINC000864124803 979724286 /nfs/dbraw/zinc/72/42/86/979724286.db2.gz JYORPOPNOJNNNF-FPLPWBNLSA-N -1 0 329.352 3.555 20 0 EHADRM CC[C@H]1c2ccccc2CCN1C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000864128716 979729318 /nfs/dbraw/zinc/72/93/18/979729318.db2.gz RFJSJSYLMLQZKF-QWPQOLDESA-N -1 0 325.364 3.527 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)cc1C(=O)[O-] ZINC000864138524 979741811 /nfs/dbraw/zinc/74/18/11/979741811.db2.gz LMURUCHZVOAUHO-ZDUSSCGKSA-N -1 0 329.318 3.544 20 0 EHADRM C[C@H](Cc1ccc(Nc2nc(C3CC3)nc3c2CCC3)cc1)C(=O)[O-] ZINC001592881856 979750316 /nfs/dbraw/zinc/75/03/16/979750316.db2.gz AEEMDEFPLRCBOG-GFCCVEGCSA-N -1 0 337.423 3.850 20 0 EHADRM Cc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCCO3)cc1C(=O)[O-] ZINC000864155241 979766940 /nfs/dbraw/zinc/76/69/40/979766940.db2.gz JISUVPJFMRBKSX-CYBMUJFWSA-N -1 0 339.391 3.509 20 0 EHADRM CC[C@H](c1cccc(OC)c1)N(C)C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000864157542 979769138 /nfs/dbraw/zinc/76/91/38/979769138.db2.gz NFJNOJZJMDNYBN-XZVRFQMRSA-N -1 0 343.379 3.609 20 0 EHADRM CCOCCCCCC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC000864157196 979769260 /nfs/dbraw/zinc/76/92/60/979769260.db2.gz WNYKRKPKKUBSHL-KRWDZBQOSA-N -1 0 347.455 3.518 20 0 EHADRM C[C@@H](Cc1ccccc1)NC(=S)Nc1cccc(C(=O)[O-])c1Cl ZINC001592892089 979789115 /nfs/dbraw/zinc/78/91/15/979789115.db2.gz RZDLZUBLKBBVTO-NSHDSACASA-N -1 0 348.855 3.956 20 0 EHADRM C[C@@H](Cc1ccccc1)n1cccc1C(=O)OC1CC(CC(=O)[O-])C1 ZINC001592892394 979791767 /nfs/dbraw/zinc/79/17/67/979791767.db2.gz WWRHDTHYIDVELG-OOHWJJMZSA-N -1 0 341.407 3.702 20 0 EHADRM CC[C@@H](COC(=O)c1c(C)onc1-c1ccccc1Cl)C(=O)[O-] ZINC001595182855 979810809 /nfs/dbraw/zinc/81/08/09/979810809.db2.gz KZXCULRRDHLDFT-JTQLQIEISA-N -1 0 337.759 3.571 20 0 EHADRM CC[C@@H](COC(=O)c1cc(C2CC2)nc2ccc(C)cc21)C(=O)[O-] ZINC001595182886 979811107 /nfs/dbraw/zinc/81/11/07/979811107.db2.gz LSVKGLVJYXDVPZ-LBPRGKRZSA-N -1 0 327.380 3.688 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000864175848 979817010 /nfs/dbraw/zinc/81/70/10/979817010.db2.gz SJEDRKJSJZGRQZ-YSIASYRMSA-N -1 0 349.430 3.580 20 0 EHADRM CC[C@H](COC(=O)c1oc2ccccc2c1COC(C)C)C(=O)[O-] ZINC001595183501 979817386 /nfs/dbraw/zinc/81/73/86/979817386.db2.gz ONHMFAUPSFCYRG-GFCCVEGCSA-N -1 0 334.368 3.625 20 0 EHADRM CCc1ccc(N(CC(C)C)C(=O)c2cncc(C(=O)[O-])c2)cc1 ZINC000864177297 979821459 /nfs/dbraw/zinc/82/14/59/979821459.db2.gz LRWGFNQZEUBIOX-UHFFFAOYSA-N -1 0 326.396 3.645 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@]2(C)Cc2ccc(C)cc2)oc1C(=O)[O-] ZINC000864195127 979855081 /nfs/dbraw/zinc/85/50/81/979855081.db2.gz YNRVXLMOYIVRNY-HXUWFJFHSA-N -1 0 341.407 3.832 20 0 EHADRM C[C@H](CC(=O)N[C@@](C)(Cc1ccc(Cl)cc1)C(=O)[O-])c1ccco1 ZINC000864195948 979858602 /nfs/dbraw/zinc/85/86/02/979858602.db2.gz ICPIOCSBUAOPLD-XIKOKIGWSA-N -1 0 349.814 3.629 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)C1CC1 ZINC000864199047 979871979 /nfs/dbraw/zinc/87/19/79/979871979.db2.gz BFHYVHVKXXKCME-DBXWQHBBSA-N -1 0 337.419 3.703 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)C1CC1 ZINC000864199044 979872271 /nfs/dbraw/zinc/87/22/71/979872271.db2.gz BFHYVHVKXXKCME-BBTUJRGHSA-N -1 0 337.419 3.703 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)CCCc1csc2ccccc12)C1CC1 ZINC000864203534 979883770 /nfs/dbraw/zinc/88/37/70/979883770.db2.gz FANYYTRRMDHVDP-LJQANCHMSA-N -1 0 345.464 3.984 20 0 EHADRM C[C@H](Cn1ccc2ccccc21)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC001592918501 979906271 /nfs/dbraw/zinc/90/62/71/979906271.db2.gz LOSGQCWVQCDZHX-CQSZACIVSA-N -1 0 348.402 3.518 20 0 EHADRM CCOC1CC2(C[C@@H]2C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)C1 ZINC000864225169 979910098 /nfs/dbraw/zinc/91/00/98/979910098.db2.gz OZIXBRMVPYWHOP-GBXVCHKXSA-N -1 0 339.391 3.682 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000864226427 979913180 /nfs/dbraw/zinc/91/31/80/979913180.db2.gz DVVMCLCUNJMBDX-CYBMUJFWSA-N -1 0 327.380 3.930 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2CCCc3ccccc32)c1 ZINC000864228406 979919400 /nfs/dbraw/zinc/91/94/00/979919400.db2.gz DAGLEHPLPZMCBE-MOPGFXCFSA-N -1 0 337.419 3.747 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)C[C@@H]2CCc3ccccc32)c1 ZINC000864229030 979922268 /nfs/dbraw/zinc/92/22/68/979922268.db2.gz HUAKPZRCAJLDON-QFBILLFUSA-N -1 0 337.419 3.747 20 0 EHADRM Cc1cccc(Oc2cccc(NC(=O)N3CC[C@H](C(=O)[O-])C3)c2)c1 ZINC000864608592 979950328 /nfs/dbraw/zinc/95/03/28/979950328.db2.gz RBDMLZATXQNONV-AWEZNQCLSA-N -1 0 340.379 3.726 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)Oc1ccc(C(=O)[O-])cc1OC ZINC001595212109 979996713 /nfs/dbraw/zinc/99/67/13/979996713.db2.gz XANFYLJFQLTJPK-HNNXBMFYSA-N -1 0 342.391 3.876 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)O[C@@H](C)c1nc(C(=O)[O-])co1 ZINC001595212212 979997663 /nfs/dbraw/zinc/99/76/63/979997663.db2.gz YIQVSTVRWPCNDO-JSGCOSHPSA-N -1 0 331.368 3.554 20 0 EHADRM CC(F)(F)c1c(F)cccc1NC(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001592943165 980013013 /nfs/dbraw/zinc/01/30/13/980013013.db2.gz CYZDEISRZLRFFY-JTQLQIEISA-N -1 0 344.333 3.560 20 0 EHADRM CC(F)(F)c1ccc(CNC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC001592944322 980021140 /nfs/dbraw/zinc/02/11/40/980021140.db2.gz KQWBSUFDWWTLBH-UHFFFAOYSA-N -1 0 334.322 3.818 20 0 EHADRM CCC(F)(F)C(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001595217213 980023155 /nfs/dbraw/zinc/02/31/55/980023155.db2.gz UVWMWQCOAWVXNP-UHFFFAOYSA-N -1 0 337.775 3.891 20 0 EHADRM CC[C@H](Cc1ccccc1C(F)(F)F)Nc1nccc(C(=O)[O-])n1 ZINC001595218594 980033433 /nfs/dbraw/zinc/03/34/33/980033433.db2.gz KFZODVFHFYMVMC-LLVKDONJSA-N -1 0 339.317 3.627 20 0 EHADRM CCC(F)(F)c1ccccc1NC(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1 ZINC001595224576 980069499 /nfs/dbraw/zinc/06/94/99/980069499.db2.gz CXGZWQZJZSDBMY-NWDGAFQWSA-N -1 0 340.370 3.953 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1sccc1C(F)F)c1ccccc1 ZINC000872711793 980091675 /nfs/dbraw/zinc/09/16/75/980091675.db2.gz BJHOMOJSUMQRLE-JOYOIKCWSA-N -1 0 339.363 3.878 20 0 EHADRM CC[C@@](NC(=O)[C@@H]1CCC(F)(F)C1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595237092 980141905 /nfs/dbraw/zinc/14/19/05/980141905.db2.gz WZNXJZBAYORTTQ-HWPZZCPQSA-N -1 0 345.773 3.582 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)CCCc1ccc(Cl)cc1)CC2 ZINC000872767984 980155684 /nfs/dbraw/zinc/15/56/84/980155684.db2.gz FUOYPIFEWUQQIZ-QAPCUYQASA-N -1 0 335.831 3.519 20 0 EHADRM CC[C@](NC(=O)CCc1ccc(C)cc1C)(C(=O)[O-])c1ccccc1 ZINC001595241581 980160561 /nfs/dbraw/zinc/16/05/61/980160561.db2.gz MEPGAYQRBFJVLV-OAQYLSRUSA-N -1 0 339.435 3.742 20 0 EHADRM CC[C@@H](NC(=O)CNc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001595242412 980164099 /nfs/dbraw/zinc/16/40/99/980164099.db2.gz DUKUGPHQFVPJEW-MRXNPFEDSA-N -1 0 346.814 3.718 20 0 EHADRM CC[C@H](NC(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1)c1cc(C)ccc1C ZINC001595248853 980199611 /nfs/dbraw/zinc/19/96/11/980199611.db2.gz CUDVLMHCMCLWAG-QOKNQOGYSA-N -1 0 332.444 3.507 20 0 EHADRM CC(C)(C)c1ccc(Br)cc1NC(=O)CCC(=O)[O-] ZINC000887317278 980215424 /nfs/dbraw/zinc/21/54/24/980215424.db2.gz GEQIZTQKPIOZGM-UHFFFAOYSA-N -1 0 328.206 3.550 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)CC[C@@H]2CCc3ccccc32)C1 ZINC000887326387 980216827 /nfs/dbraw/zinc/21/68/27/980216827.db2.gz APPVCHDSWWTUDN-RDJZCZTQSA-N -1 0 329.440 3.600 20 0 EHADRM CO[C@@H]1CC[C@@H](C(=O)Nc2scc(-c3ccccc3)c2C(=O)[O-])C1 ZINC000887328337 980220024 /nfs/dbraw/zinc/22/00/24/980220024.db2.gz VCBDNGXZCRFVAT-CHWSQXEVSA-N -1 0 345.420 3.867 20 0 EHADRM CC[C@H](NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1cccc2ccccc21 ZINC001595253229 980228638 /nfs/dbraw/zinc/22/86/38/980228638.db2.gz WQQOZZHKICQDIX-VKJFTORMSA-N -1 0 340.423 3.843 20 0 EHADRM C[C@H](NC(=O)/C=C/C1CCCCC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593008148 980229628 /nfs/dbraw/zinc/22/96/28/980229628.db2.gz BLTYMABNUADFHW-IXUWUVECSA-N -1 0 329.440 3.571 20 0 EHADRM C[C@H](NC(=O)/C=C/c1cc(C(=O)[O-])co1)c1c(F)cccc1Cl ZINC001593008345 980230249 /nfs/dbraw/zinc/23/02/49/980230249.db2.gz FJPFFPNDDIRCIB-CYNONHLPSA-N -1 0 337.734 3.661 20 0 EHADRM CC[C@@H](NC(=O)NCc1cc(C(=O)[O-])co1)c1cccc(Cl)c1 ZINC001595253730 980235237 /nfs/dbraw/zinc/23/52/37/980235237.db2.gz ZDDOGLBJOAXHEW-CQSZACIVSA-N -1 0 336.775 3.582 20 0 EHADRM CC[C@@](NC(=O)c1ccc(NC)cc1Cl)(C(=O)[O-])c1ccccc1 ZINC001595268980 980281529 /nfs/dbraw/zinc/28/15/29/980281529.db2.gz BIAZLYJTLYNIBM-SFHVURJKSA-N -1 0 346.814 3.502 20 0 EHADRM CC[C@@H](N[C@H](C)c1nc(C(=O)[O-])co1)c1nc(C(F)(F)F)cs1 ZINC001595282248 980342131 /nfs/dbraw/zinc/34/21/31/980342131.db2.gz VQANKPISRAKFRI-RNFRBKRXSA-N -1 0 349.334 3.650 20 0 EHADRM O=C([O-])c1c[nH]c2cc(NC[C@@H]3CCN(c4ccccc4)C3)ccc12 ZINC000901541046 980369684 /nfs/dbraw/zinc/36/96/84/980369684.db2.gz SBJLTHHNNFSLPU-AWEZNQCLSA-N -1 0 335.407 3.805 20 0 EHADRM COc1ccc(C[C@@H](C)Nc2cccc([C@H](C)C(=O)[O-])c2)cc1OC ZINC000901813860 980535137 /nfs/dbraw/zinc/53/51/37/980535137.db2.gz FFLBMBYUCDPREM-KGLIPLIRSA-N -1 0 343.423 3.935 20 0 EHADRM Cc1cc([C@H](NCc2csc(C(C)(C)C)n2)C(=O)[O-])ccc1F ZINC000901842674 980563025 /nfs/dbraw/zinc/56/30/25/980563025.db2.gz MAECJVUHRNWPIH-AWEZNQCLSA-N -1 0 336.432 3.804 20 0 EHADRM CC[C@H](OC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)[C@H](C)C(=O)[O-] ZINC001595338754 980608977 /nfs/dbraw/zinc/60/89/77/980608977.db2.gz ZLGUWHJERXISCU-KPXOXKRLSA-N -1 0 336.281 3.759 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000901945809 980644576 /nfs/dbraw/zinc/64/45/76/980644576.db2.gz RMGFLSHTZMROMM-AVEIZBFRSA-N -1 0 327.424 3.634 20 0 EHADRM CC[C@@H](OC(=O)c1ccc(Oc2ccncc2)c(Cl)c1)C(=O)[O-] ZINC001595351668 980659878 /nfs/dbraw/zinc/65/98/78/980659878.db2.gz JCBGCBKJXOMDSS-CYBMUJFWSA-N -1 0 335.743 3.547 20 0 EHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@H]1Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000902091484 980728522 /nfs/dbraw/zinc/72/85/22/980728522.db2.gz GZWXMLVZBIYGJL-XJKCOSOUSA-N -1 0 342.395 3.833 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC001595358456 980732303 /nfs/dbraw/zinc/73/23/03/980732303.db2.gz KLTKXJNYYIAYSR-JKSUJKDBSA-N -1 0 335.469 3.707 20 0 EHADRM CC[C@H](Sc1nnc(-c2ccc(OC)cc2)n1CC(C)C)C(=O)[O-] ZINC001595359069 980737631 /nfs/dbraw/zinc/73/76/31/980737631.db2.gz QCYKHSBNVANGOU-AWEZNQCLSA-N -1 0 349.456 3.565 20 0 EHADRM CCc1oc(CN[C@H](C)c2ccccc2OC(F)F)cc1C(=O)[O-] ZINC000902107363 980738019 /nfs/dbraw/zinc/73/80/19/980738019.db2.gz RHUMPEVGNFLFCE-SNVBAGLBSA-N -1 0 339.338 3.992 20 0 EHADRM COc1ccc(NCCC(C)(C)C(=O)[O-])cc1OCc1cccnc1 ZINC000902111587 980739482 /nfs/dbraw/zinc/73/94/82/980739482.db2.gz CKVUZTAGRROCOK-UHFFFAOYSA-N -1 0 344.411 3.582 20 0 EHADRM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001595360543 980752371 /nfs/dbraw/zinc/75/23/71/980752371.db2.gz YPDOLTDINXCLIV-KRWDZBQOSA-N -1 0 345.370 3.756 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@H]1Cc2ccc(F)cc21 ZINC001595361895 980766663 /nfs/dbraw/zinc/76/66/63/980766663.db2.gz QXGSCKUAVNYXRP-ZWKOTPCHSA-N -1 0 341.382 3.530 20 0 EHADRM COc1cc(NC2CCC(CC(=O)[O-])CC2)cc(Cl)c1OC ZINC000902330500 980835646 /nfs/dbraw/zinc/83/56/46/980835646.db2.gz SURXPKXZHPMRAH-UHFFFAOYSA-N -1 0 327.808 3.803 20 0 EHADRM Cc1cc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)c(C)c(C)c1O ZINC000274727366 1014686938 /nfs/dbraw/zinc/68/69/38/1014686938.db2.gz CQOTUIABUABWMG-FQEVSTJZSA-N -1 0 341.407 3.689 20 0 EHADRM CC[C@]1(C)CCN(C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)C1 ZINC001595370999 980846361 /nfs/dbraw/zinc/84/63/61/980846361.db2.gz LZFTUTSUHGFGHK-GOSISDBHSA-N -1 0 334.416 3.826 20 0 EHADRM CCC1(CC)CCCN(C(=O)Nc2ccc(C(=O)[O-])c(OC)c2)C1 ZINC001595374601 980886306 /nfs/dbraw/zinc/88/63/06/980886306.db2.gz KIFUBZMAHMIANW-UHFFFAOYSA-N -1 0 334.416 3.828 20 0 EHADRM CCC1(CC)CCCN(C(=O)NCCc2ccc(C(=O)[O-])cc2)CC1 ZINC001595374729 980886997 /nfs/dbraw/zinc/88/69/97/980886997.db2.gz RXYHUMHZIHUIGF-UHFFFAOYSA-N -1 0 346.471 3.929 20 0 EHADRM CC[C@]1(CCc2ccccc2)CCCN1C(=O)c1cc(C(=O)[O-])co1 ZINC001595377072 980910462 /nfs/dbraw/zinc/91/04/62/980910462.db2.gz ZJYKZQGVSNNJNE-HXUWFJFHSA-N -1 0 341.407 3.995 20 0 EHADRM CCC1(c2ccccc2)CN(C(=O)CC2(CC(=O)[O-])CCCC2)C1 ZINC001595397737 980966898 /nfs/dbraw/zinc/96/68/98/980966898.db2.gz WIYMTKQENBGHJH-UHFFFAOYSA-N -1 0 329.440 3.602 20 0 EHADRM CCC1=C(C(=O)N2CCCCc3cc(C(=O)[O-])ccc32)CCCO1 ZINC001595398813 980970057 /nfs/dbraw/zinc/97/00/57/980970057.db2.gz IQPBMVFOBMOJSG-UHFFFAOYSA-N -1 0 329.396 3.529 20 0 EHADRM CC[C@H]1C[C@@H](CC(=O)OCc2cccc(C(=O)[O-])c2Cl)CCO1 ZINC001595414198 981020636 /nfs/dbraw/zinc/02/06/36/981020636.db2.gz ZKWHJYNLKQEGMX-AAEUAGOBSA-N -1 0 340.803 3.677 20 0 EHADRM CCC1CCC(CNC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)CC1 ZINC001595416796 981033830 /nfs/dbraw/zinc/03/38/30/981033830.db2.gz YZCRVQHMJISKPA-OVSDUUTQSA-N -1 0 329.440 3.578 20 0 EHADRM CCC1CCC(NC(=O)C[C@H]2CCc3ccccc32)(C(=O)[O-])CC1 ZINC001595420715 981037837 /nfs/dbraw/zinc/03/78/37/981037837.db2.gz GIZJKQAUEHAWFO-CZDRUDQFSA-N -1 0 329.440 3.646 20 0 EHADRM CC[C@H]1CCC[C@@]1(C)c1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC001595435010 981061301 /nfs/dbraw/zinc/06/13/01/981061301.db2.gz DVDDEJPYWUEKBN-SCLBCKFNSA-N -1 0 330.384 3.815 20 0 EHADRM CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001595448064 981097262 /nfs/dbraw/zinc/09/72/62/981097262.db2.gz LHBIUYRDCVNCKZ-STQMWFEESA-N -1 0 339.457 3.987 20 0 EHADRM CC[C@@H]1CCC[C@H]1CNC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001595450893 981104433 /nfs/dbraw/zinc/10/44/33/981104433.db2.gz DWMWFQHXFORPAA-NEPJUHHUSA-N -1 0 329.400 3.814 20 0 EHADRM CC[C@H]1CCN(C(=O)Nc2cccc(SCCC(=O)[O-])c2)[C@H]1C ZINC001595460024 981141723 /nfs/dbraw/zinc/14/17/23/981141723.db2.gz QGQHMCAUKXXGCR-STQMWFEESA-N -1 0 336.457 3.906 20 0 EHADRM CC[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CCCO1 ZINC001595475075 981191122 /nfs/dbraw/zinc/19/11/22/981191122.db2.gz OFVRPEQODJXDNL-CYBMUJFWSA-N -1 0 342.395 3.571 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(-n2cccc2)ccc1Cl ZINC000907578509 981195484 /nfs/dbraw/zinc/19/54/84/981195484.db2.gz INQJIKCTDFYTAN-KRWDZBQOSA-N -1 0 334.803 3.504 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1cnc(CC(C)(C)C)s1 ZINC000907661790 981205503 /nfs/dbraw/zinc/20/55/03/981205503.db2.gz QUFFRPXBCKDZHT-UHFFFAOYSA-N -1 0 348.424 3.691 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NCc2csc(C(C)(C)C)n2)cc1 ZINC000683170864 1014718503 /nfs/dbraw/zinc/71/85/03/1014718503.db2.gz BMQQXCPPNDEDCX-HNNXBMFYSA-N -1 0 348.468 3.755 20 0 EHADRM O=C([O-])c1ccc2c(c1)N(C(=O)c1scnc1C1CCCC1)CC2 ZINC000908062805 981258217 /nfs/dbraw/zinc/25/82/17/981258217.db2.gz SSVYKYUWIASTAC-UHFFFAOYSA-N -1 0 342.420 3.702 20 0 EHADRM CCCc1nc(C)c(C(=O)NCCCCC2(C(=O)[O-])CCC2)s1 ZINC000908355640 981307866 /nfs/dbraw/zinc/30/78/66/981307866.db2.gz TUXKILQDJVRMIT-UHFFFAOYSA-N -1 0 338.473 3.559 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C1CC2(CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000908418119 981314374 /nfs/dbraw/zinc/31/43/74/981314374.db2.gz ZOFLHSHRPILCNP-ZDUSSCGKSA-N -1 0 341.329 3.528 20 0 EHADRM CC(C)Oc1ccc(CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1 ZINC000908713394 981345095 /nfs/dbraw/zinc/34/50/95/981345095.db2.gz RSBIKBJBZMCOHH-UHFFFAOYSA-N -1 0 345.439 3.515 20 0 EHADRM CCCOc1cccc(NC(=O)c2ccccc2CCC(=O)[O-])c1 ZINC000908718426 981346354 /nfs/dbraw/zinc/34/63/54/981346354.db2.gz XMEYXEVFGDNRQK-UHFFFAOYSA-N -1 0 327.380 3.745 20 0 EHADRM CCCC(=O)Nc1cccc(CN[C@H](C)c2cc(C(=O)[O-])co2)c1 ZINC001595531650 981367795 /nfs/dbraw/zinc/36/77/95/981367795.db2.gz OQBRIRIVADXGOR-GFCCVEGCSA-N -1 0 330.384 3.567 20 0 EHADRM C[C@H](CNC(=O)c1ccccc1CCC(=O)[O-])Sc1ccccc1 ZINC000908825654 981368707 /nfs/dbraw/zinc/36/87/07/981368707.db2.gz QWQGTZOHKYARMJ-CQSZACIVSA-N -1 0 343.448 3.614 20 0 EHADRM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccoc2CC(=O)[O-])o1 ZINC000908835489 981372556 /nfs/dbraw/zinc/37/25/56/981372556.db2.gz PKRABCPESNBBPT-DOMZBBRYSA-N -1 0 345.395 3.676 20 0 EHADRM Cc1cc([C@H](NCc2nc3c(s2)CCC3)C(=O)[O-])ccc1Cl ZINC000683172170 1014729947 /nfs/dbraw/zinc/72/99/47/1014729947.db2.gz AKRPETULFUHXFV-HNNXBMFYSA-N -1 0 336.844 3.509 20 0 EHADRM CCC[C@](C)(NC(=O)[C@H](c1ccncc1)C1CCCCC1)C(=O)[O-] ZINC001595546101 981407697 /nfs/dbraw/zinc/40/76/97/981407697.db2.gz HMQMJORKPYBLPN-LPHOPBHVSA-N -1 0 332.444 3.505 20 0 EHADRM CCC[C@](C)(NC(=O)CCC[C@@H](C)c1cccc(OC)c1)C(=O)[O-] ZINC001595547315 981419052 /nfs/dbraw/zinc/41/90/52/981419052.db2.gz MNKYCQVSIBLZLO-KUHUBIRLSA-N -1 0 335.444 3.729 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)CCC[C@H](O)c2ccccc2)cc1 ZINC000909285576 981459084 /nfs/dbraw/zinc/45/90/84/981459084.db2.gz IBWKOISZPYPMNM-SFHVURJKSA-N -1 0 341.407 3.546 20 0 EHADRM CCC[C@@H](C)[C@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001595571058 981477472 /nfs/dbraw/zinc/47/74/72/981477472.db2.gz IDJYQNQKCXRCIH-IUODEOHRSA-N -1 0 334.416 3.826 20 0 EHADRM CCC[C@H](C)[C@@H]1CCCN1C(=O)Nc1cccc(C(=O)[O-])c1OC ZINC001595571849 981481183 /nfs/dbraw/zinc/48/11/83/981481183.db2.gz LUDGJOMEUYHVBT-WFASDCNBSA-N -1 0 334.416 3.826 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)N(CCC(F)(F)F)CC1CC1 ZINC000909416370 981490161 /nfs/dbraw/zinc/49/01/61/981490161.db2.gz ILJZKWYOJFNOEU-UHFFFAOYSA-N -1 0 343.345 3.508 20 0 EHADRM CCSCc1ccccc1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000909480140 981505389 /nfs/dbraw/zinc/50/53/89/981505389.db2.gz WMZFGKJTSAQIKV-AWEZNQCLSA-N -1 0 335.469 3.657 20 0 EHADRM Cc1nc2ccc(C(=O)N3CCC[C@H](C(C)(C)C(=O)[O-])C3)cc2s1 ZINC000909494598 981510290 /nfs/dbraw/zinc/51/02/90/981510290.db2.gz BOSWGSOCUVOLGS-ZDUSSCGKSA-N -1 0 346.452 3.568 20 0 EHADRM Cc1ccccc1NCCC(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000909509644 981517267 /nfs/dbraw/zinc/51/72/67/981517267.db2.gz AHLOVBOXVIFWHR-UHFFFAOYSA-N -1 0 326.396 3.751 20 0 EHADRM Cc1cc(C)cc([C@H]2CCN(C(=O)C34CCC(C(=O)[O-])(CC3)C4)C2)c1 ZINC000909560968 981542870 /nfs/dbraw/zinc/54/28/70/981542870.db2.gz UMUOKOHRTDJLMQ-ATIQYGATSA-N -1 0 341.451 3.654 20 0 EHADRM CCC[C@@H](NC(=O)N1CCc2cccc(C(=O)[O-])c2C1)C1CCCC1 ZINC001595598034 981566651 /nfs/dbraw/zinc/56/66/51/981566651.db2.gz FVGWTYYELOJDAI-GOSISDBHSA-N -1 0 344.455 3.811 20 0 EHADRM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1csc(C2CCCCC2)n1 ZINC000909685100 981571586 /nfs/dbraw/zinc/57/15/86/981571586.db2.gz ZKPADFZQWLSDNP-IPYPFGDCSA-N -1 0 348.468 3.516 20 0 EHADRM CCC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1C)c1ccccn1 ZINC001595600959 981585192 /nfs/dbraw/zinc/58/51/92/981585192.db2.gz ZPQDQWDCKPXWQK-MRXNPFEDSA-N -1 0 327.384 3.751 20 0 EHADRM CCC[C@H](Nc1ncc(C(=O)[O-])cc1Cl)[C@H](O)c1ccccc1 ZINC001595605196 981591823 /nfs/dbraw/zinc/59/18/23/981591823.db2.gz XYVQFTOTCZIWFY-LSDHHAIUSA-N -1 0 334.803 3.747 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N1CCC(c2ccccc2C(F)(F)F)CC1 ZINC001594742920 981619881 /nfs/dbraw/zinc/61/98/81/981619881.db2.gz JAGAFQWWRWOFBS-LBPRGKRZSA-N -1 0 343.345 3.522 20 0 EHADRM CC[C@](O)(CC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1)c1ccccc1 ZINC000909831731 981648682 /nfs/dbraw/zinc/64/86/82/981648682.db2.gz CTYZNJCSGDYFQK-VLIAUNLRSA-N -1 0 341.407 3.501 20 0 EHADRM CCC[C@@]1(COC)CCCN1C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001595618206 981662538 /nfs/dbraw/zinc/66/25/38/981662538.db2.gz OYLPKNSIVDTIHU-SFHVURJKSA-N -1 0 334.416 3.506 20 0 EHADRM CCC[C@]1(COC)CCCN1C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC001595618188 981662773 /nfs/dbraw/zinc/66/27/73/981662773.db2.gz NYERLDXLIOQLRT-AUUYWEPGSA-N -1 0 348.443 3.688 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)NCc1ccc(-c2ccc(Cl)cc2)cc1F ZINC001594756740 981677022 /nfs/dbraw/zinc/67/70/22/981677022.db2.gz YMTORQDWRFSDIP-HNNXBMFYSA-N -1 0 349.789 3.873 20 0 EHADRM CCC[C@H]1[C@@H](C)CCCN1C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001595620229 981686769 /nfs/dbraw/zinc/68/67/69/981686769.db2.gz ZXUMCOQPDCQELX-YOEHRIQHSA-N -1 0 342.439 3.767 20 0 EHADRM CCC[C@H]1C[C@H](C(=O)OCc2cc(C(=O)[O-])ccc2Cl)CCO1 ZINC001595620532 981690885 /nfs/dbraw/zinc/69/08/85/981690885.db2.gz LFOSSQXABDJOFU-OCCSQVGLSA-N -1 0 340.803 3.677 20 0 EHADRM CCCC1CCC(N(C)C(=O)NCCc2ccc(C(=O)[O-])cc2)CC1 ZINC001595620754 981693046 /nfs/dbraw/zinc/69/30/46/981693046.db2.gz SEGOKZKOVKIERU-UHFFFAOYSA-N -1 0 346.471 3.928 20 0 EHADRM CCC[C@H]1CCCN1C(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001595621989 981705226 /nfs/dbraw/zinc/70/52/26/981705226.db2.gz DKAHACBNMFZVQO-ZDUSSCGKSA-N -1 0 340.217 3.552 20 0 EHADRM O=C([O-])Cc1c2ccccc2[nH]c1C(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000910014066 981734763 /nfs/dbraw/zinc/73/47/63/981734763.db2.gz PQJXANZGDDPJEV-GUYCJALGSA-N -1 0 340.423 3.590 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@H]3C[C@H](c4cccc(F)c4)C3)(CC1)CC2 ZINC000910022394 981736556 /nfs/dbraw/zinc/73/65/56/981736556.db2.gz MBSWBZFBDKUSAL-IJIMWFSASA-N -1 0 345.414 3.613 20 0 EHADRM CC(C)(CC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)C1CC1 ZINC000910043271 981741701 /nfs/dbraw/zinc/74/17/01/981741701.db2.gz RLRYTYNKDWXUQH-UHFFFAOYSA-N -1 0 327.327 3.751 20 0 EHADRM Cc1c(NC(=O)C2CC3(CC3)C2)cc(Br)cc1C(=O)[O-] ZINC000910079144 981753749 /nfs/dbraw/zinc/75/37/49/981753749.db2.gz LBOILBWMNPZSRI-UHFFFAOYSA-N -1 0 338.201 3.584 20 0 EHADRM CC(C(=O)Nc1cc(Br)cc(C(=O)[O-])c1C)=C1CCC1 ZINC000910084487 981754735 /nfs/dbraw/zinc/75/47/35/981754735.db2.gz VTTSYVXDDZTMQZ-UHFFFAOYSA-N -1 0 338.201 3.895 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)CCc1cc(C)cc(C)c1 ZINC001594782166 981789718 /nfs/dbraw/zinc/78/97/18/981789718.db2.gz ODXFDMWINQYWLZ-HXUWFJFHSA-N -1 0 331.456 3.728 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)/C=C(/C)c1ccccc1OC ZINC001594782539 981791298 /nfs/dbraw/zinc/79/12/98/981791298.db2.gz RGQFWWMCEJXNTL-WXFJXSOESA-N -1 0 345.439 3.590 20 0 EHADRM CCC(F)(F)C(C)(C)CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000910232132 981795782 /nfs/dbraw/zinc/79/57/82/981795782.db2.gz TWLXXSWPRLXOQQ-UHFFFAOYSA-N -1 0 331.403 3.599 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCCc2ccccc2Cl)[C@@H]2CCC[C@H]21 ZINC000910239269 981806766 /nfs/dbraw/zinc/80/67/66/981806766.db2.gz GIBIUYVCQFZUEV-ZMSDIMECSA-N -1 0 349.858 3.765 20 0 EHADRM CCOc1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c(F)c1 ZINC000910241198 981808949 /nfs/dbraw/zinc/80/89/49/981808949.db2.gz HITHLXQDYPEBGD-UHFFFAOYSA-N -1 0 335.375 3.588 20 0 EHADRM CC[C@@H](CSc1ccccc1)NC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000910250636 981825024 /nfs/dbraw/zinc/82/50/24/981825024.db2.gz MYKIMGUBUUWMNS-YCMKEVRSSA-N -1 0 347.480 3.709 20 0 EHADRM CC/C(C)=C\C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000910256152 981833043 /nfs/dbraw/zinc/83/30/43/981833043.db2.gz TXZPBIQVIXDHBE-YVMONPNESA-N -1 0 326.190 3.751 20 0 EHADRM CCCOc1ccc(NC(=O)c2ccccc2CCC(=O)[O-])cc1F ZINC000910255544 981833129 /nfs/dbraw/zinc/83/31/29/981833129.db2.gz RLMCHUNFVVNKKN-UHFFFAOYSA-N -1 0 345.370 3.884 20 0 EHADRM CCCC[C@H](CC)CCCN(C)C(=O)Nc1nn(C)cc1C(=O)[O-] ZINC001595632393 981854509 /nfs/dbraw/zinc/85/45/09/981854509.db2.gz GGSBSUFXZDNLRQ-ZDUSSCGKSA-N -1 0 338.452 3.579 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(OC(C)(C)C)cc1 ZINC001594792023 981856212 /nfs/dbraw/zinc/85/62/12/981856212.db2.gz JSUPHXNXJUVLIS-FQEVSTJZSA-N -1 0 347.455 3.969 20 0 EHADRM CCCC[C@H](CCC)CNC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595632648 981858892 /nfs/dbraw/zinc/85/88/92/981858892.db2.gz LWJZCAWFDSFDLW-RYUDHWBXSA-N -1 0 341.477 3.808 20 0 EHADRM CCCC[C@@H](CC)CC(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-] ZINC001595632719 981859779 /nfs/dbraw/zinc/85/97/79/981859779.db2.gz OJGCRWCOKOPVTB-GFCCVEGCSA-N -1 0 337.416 3.947 20 0 EHADRM CCCC[C@H](CCC)CNC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001595633024 981864627 /nfs/dbraw/zinc/86/46/27/981864627.db2.gz ZRQYIZFAGZIRHF-VPWXQRGCSA-N -1 0 331.456 3.968 20 0 EHADRM CCC(C)(C)C1CCC2(C[C@H]2C(=O)N[C@@H](CCF)C(=O)[O-])CC1 ZINC001594797077 981884272 /nfs/dbraw/zinc/88/42/72/981884272.db2.gz UAAHJTSJZFDLQJ-HPGRBHQUSA-N -1 0 327.440 3.548 20 0 EHADRM CCCC[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3)C(=O)[O-] ZINC001595636784 981922990 /nfs/dbraw/zinc/92/29/90/981922990.db2.gz PYECVIHYXYTSSH-GOSISDBHSA-N -1 0 342.439 3.810 20 0 EHADRM CCC(C)(C)c1ccccc1C(=O)N(C)Cc1ccc(C(=O)[O-])cn1 ZINC001594815890 981946951 /nfs/dbraw/zinc/94/69/51/981946951.db2.gz UCRGYFCHWNAKKL-UHFFFAOYSA-N -1 0 340.423 3.740 20 0 EHADRM CCC(C)(C)c1ccccc1C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001594815955 981948012 /nfs/dbraw/zinc/94/80/12/981948012.db2.gz WUCPDQJHOQGDOV-UHFFFAOYSA-N -1 0 326.396 3.649 20 0 EHADRM C[C@@H](Nc1nc(C(F)(F)F)cs1)c1ccc(OCC(=O)[O-])cc1 ZINC000910466179 981949250 /nfs/dbraw/zinc/94/92/50/981949250.db2.gz HKLHZCORBOMMEU-MRVPVSSYSA-N -1 0 346.330 3.798 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CC1(CSc2ccccc2)CC1 ZINC001594817051 981954448 /nfs/dbraw/zinc/95/44/48/981954448.db2.gz LWZFTBKSWGEBRQ-KRWDZBQOSA-N -1 0 335.469 3.709 20 0 EHADRM CCCC[C@@H](NCc1ncc(C(=O)[O-])s1)c1ccc(OC)cc1 ZINC001595640184 981960724 /nfs/dbraw/zinc/96/07/24/981960724.db2.gz AFIMPBDBEFYXBA-CQSZACIVSA-N -1 0 334.441 3.871 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(Oc2ncccc2C)cc1 ZINC001594822496 981976023 /nfs/dbraw/zinc/97/60/23/981976023.db2.gz ZWKRTEZADZPUHI-IBGZPJMESA-N -1 0 342.395 3.556 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cccc2c1ccn2CC(C)C ZINC001594823993 981980282 /nfs/dbraw/zinc/98/02/82/981980282.db2.gz XGSCLAZJRBHLJE-LJQANCHMSA-N -1 0 330.428 3.671 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N[C@H](C)c1cccc(SC(F)(F)F)c1 ZINC000910569225 981995972 /nfs/dbraw/zinc/99/59/72/981995972.db2.gz ORQUFZHRFQQIGU-RKDXNWHRSA-N -1 0 335.347 3.587 20 0 EHADRM CCCC[C@H](S[C@H](C)C(=O)N(C)Cc1cccc(F)c1)C(=O)[O-] ZINC001595651865 982028065 /nfs/dbraw/zinc/02/80/65/982028065.db2.gz LXTKPYRLBLZDNF-DOMZBBRYSA-N -1 0 341.448 3.549 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)Nc1ccc2c(c1)C=CC1(CCC1)O2 ZINC000910624482 982032760 /nfs/dbraw/zinc/03/27/60/982032760.db2.gz SGTAHVXFRKDKGD-UHFFFAOYSA-N -1 0 339.347 3.867 20 0 EHADRM CCCC[C@@H](S[C@@H]1CCN(c2ccccc2Cl)C1=O)C(=O)[O-] ZINC001595654117 982039550 /nfs/dbraw/zinc/03/95/50/982039550.db2.gz ANSPRBZMRRNGRP-ZIAGYGMSSA-N -1 0 341.860 3.822 20 0 EHADRM O=C([O-])CCc1csc(NC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)n1 ZINC000910646728 982039925 /nfs/dbraw/zinc/03/99/25/982039925.db2.gz VRMZYSPGHBURHX-ZIAGYGMSSA-N -1 0 344.436 3.683 20 0 EHADRM CCCC[C@H](S[C@H]1CCCN(c2ccc(C)cc2)C1=O)C(=O)[O-] ZINC001595654456 982040758 /nfs/dbraw/zinc/04/07/58/982040758.db2.gz CGKBHFUAKYSGNE-HOTGVXAUSA-N -1 0 335.469 3.867 20 0 EHADRM CCCC[C@@H](SCCC(=O)Nc1cccc(F)c1C)C(=O)[O-] ZINC001595654828 982041339 /nfs/dbraw/zinc/04/13/39/982041339.db2.gz FQKNIJHROMPHGU-CQSZACIVSA-N -1 0 327.421 3.839 20 0 EHADRM CCCC[C@H](SCC(=O)Nc1cc(Cl)ccc1F)C(=O)[O-] ZINC001595654844 982041722 /nfs/dbraw/zinc/04/17/22/982041722.db2.gz FSLKHMJRQWCVHR-LBPRGKRZSA-N -1 0 333.812 3.794 20 0 EHADRM CCCC[C@H](SCC(=O)NC1(c2ccccc2)CCC1)C(=O)[O-] ZINC001595656140 982051137 /nfs/dbraw/zinc/05/11/37/982051137.db2.gz UZIYPGZNOUAQHQ-HNNXBMFYSA-N -1 0 335.469 3.559 20 0 EHADRM CCCC[C@H](SCc1cc(=O)oc2cc(OC)ccc12)C(=O)[O-] ZINC001595656499 982052789 /nfs/dbraw/zinc/05/27/89/982052789.db2.gz ZCFVZVIEASHZJR-HNNXBMFYSA-N -1 0 336.409 3.678 20 0 EHADRM CCCC[C@@H](S[C@H]1CCN(c2cccc(Cl)c2)C1=O)C(=O)[O-] ZINC001595656548 982053985 /nfs/dbraw/zinc/05/39/85/982053985.db2.gz ZUFRWEOIARUNOP-UONOGXRCSA-N -1 0 341.860 3.822 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)C=C2CCCCC2)nc1C(=O)[O-] ZINC000910727803 982090757 /nfs/dbraw/zinc/09/07/57/982090757.db2.gz APRUIWAJYCOWKT-CYBMUJFWSA-N -1 0 334.441 3.704 20 0 EHADRM Cc1ccccc1CCC(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910734577 982096462 /nfs/dbraw/zinc/09/64/62/982096462.db2.gz GXFKUQOMNYUCAE-UHFFFAOYSA-N -1 0 330.409 3.598 20 0 EHADRM O=C([O-])c1nc(NC(=O)[C@@H]2CCCC[C@H]2C2CC2)sc1C1CC1 ZINC000910740831 982102660 /nfs/dbraw/zinc/10/26/60/982102660.db2.gz BXFIYGNJRIRKBN-NWDGAFQWSA-N -1 0 334.441 3.874 20 0 EHADRM O=C([O-])c1nc(NC(=O)c2coc(C(F)F)c2)sc1C1CC1 ZINC000910742054 982104522 /nfs/dbraw/zinc/10/45/22/982104522.db2.gz NPPNLTFCOVQGTK-UHFFFAOYSA-N -1 0 328.296 3.502 20 0 EHADRM CCCCC[C@@H](C)CC(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001595666607 982104578 /nfs/dbraw/zinc/10/45/78/982104578.db2.gz OXLCDVWVSXVKCX-UZLBHIALSA-N -1 0 331.456 3.848 20 0 EHADRM CCCCC[C@@H](CC)C(=O)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001595669758 982114055 /nfs/dbraw/zinc/11/40/55/982114055.db2.gz INNFXQHBXLAKJA-FHLIZLRMSA-N -1 0 347.455 3.625 20 0 EHADRM CCCCC[C@H](CC)C(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC001595669836 982115327 /nfs/dbraw/zinc/11/53/27/982115327.db2.gz KLQZXUGLKUDYJY-XHDPSFHLSA-N -1 0 327.371 3.813 20 0 EHADRM CC(C)(CNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21)CC(=O)[O-] ZINC000910822932 982140218 /nfs/dbraw/zinc/14/02/18/982140218.db2.gz MZEDDGNLAJNUDB-DLBZAZTESA-N -1 0 325.408 3.560 20 0 EHADRM CCCCC[C@H](NC(=O)Nc1nn(C)cc1C(=O)[O-])c1ccccc1 ZINC001595673378 982142028 /nfs/dbraw/zinc/14/20/28/982142028.db2.gz WBUMUMOVYLYCQX-HNNXBMFYSA-N -1 0 344.415 3.561 20 0 EHADRM C[C@H](c1ccc(C(=O)NCC(C)(C)CC(=O)[O-])cc1)C(F)(F)F ZINC000910829479 982142621 /nfs/dbraw/zinc/14/26/21/982142621.db2.gz MVXIINNRZLODQU-SNVBAGLBSA-N -1 0 331.334 3.583 20 0 EHADRM CCCCC[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1NC)C(=O)[O-] ZINC001595677246 982151383 /nfs/dbraw/zinc/15/13/83/982151383.db2.gz VRNVFFZFOQRPQV-CYBMUJFWSA-N -1 0 346.349 3.510 20 0 EHADRM Cc1cccc(C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)c1O ZINC000108982453 1014805642 /nfs/dbraw/zinc/80/56/42/1014805642.db2.gz JAWJNFXYVOTYET-UHFFFAOYSA-N -1 0 348.406 3.548 20 0 EHADRM C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)C[C@H]1CC(=O)[O-] ZINC000910863666 982153681 /nfs/dbraw/zinc/15/36/81/982153681.db2.gz YSMCBTVTQVOWEK-LRHNDGHRSA-N -1 0 337.419 3.513 20 0 EHADRM CCCCC[C@H](NC(=O)c1sc2ccc(OC)cc2c1C)C(=O)[O-] ZINC001595681514 982162374 /nfs/dbraw/zinc/16/23/74/982162374.db2.gz RADZVIJBCLDNDR-AWEZNQCLSA-N -1 0 349.452 3.982 20 0 EHADRM CCCCC[C@H](NC(=O)c1ccnc(OC2CCCCC2)c1)C(=O)[O-] ZINC001595681585 982162975 /nfs/dbraw/zinc/16/29/75/982162975.db2.gz SARNVLFBPQFEMB-INIZCTEOSA-N -1 0 348.443 3.556 20 0 EHADRM CCCn1nc(C)c(C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)c1C ZINC000910950287 982173727 /nfs/dbraw/zinc/17/37/27/982173727.db2.gz VOTNXJOQYRSVFA-UHFFFAOYSA-N -1 0 347.440 3.582 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)O[C@H](C)c1nc(C(=O)[O-])co1)c1ccccc1 ZINC001594873040 982190554 /nfs/dbraw/zinc/19/05/54/982190554.db2.gz IQFSYUCALRLVGW-YWPYICTPSA-N -1 0 331.368 3.807 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccccc2Oc2ccccn2)C1 ZINC000911082942 982229160 /nfs/dbraw/zinc/22/91/60/982229160.db2.gz PPECHNIHAGZDJS-UONOGXRCSA-N -1 0 340.379 3.703 20 0 EHADRM CCCCCC[C@@H](C)NC(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001595696551 982231041 /nfs/dbraw/zinc/23/10/41/982231041.db2.gz BMCGTHSDHIBLNI-LLVKDONJSA-N -1 0 341.477 3.986 20 0 EHADRM CCCCN(C(=O)CCc1ocnc1C(=O)[O-])[C@@H](C)c1ccccc1 ZINC001595732154 982366747 /nfs/dbraw/zinc/36/67/47/982366747.db2.gz QDPNSSPRSYLQOG-AWEZNQCLSA-N -1 0 344.411 3.695 20 0 EHADRM Cc1ccc(C(C)(C)CNC(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC000911343131 982369103 /nfs/dbraw/zinc/36/91/03/982369103.db2.gz MFURUJOJUZNBFU-UHFFFAOYSA-N -1 0 339.435 3.720 20 0 EHADRM Cc1cc(N(C)C)cc(C)c1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000911393221 982415524 /nfs/dbraw/zinc/41/55/24/982415524.db2.gz SEFBZEDYYXPKOL-UHFFFAOYSA-N -1 0 340.423 3.639 20 0 EHADRM CCCCN(Cc1c(C)oc(C)c1C)C(=O)c1ccc(C(=O)[O-])nc1 ZINC001595749177 982421107 /nfs/dbraw/zinc/42/11/07/982421107.db2.gz NHKRIQKNHCUSIA-UHFFFAOYSA-N -1 0 344.411 3.741 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)c1cc2c(cccc2Cl)s1)C(=O)[O-] ZINC001594912203 982421291 /nfs/dbraw/zinc/42/12/91/982421291.db2.gz OGMFMFAYBWJJCX-OQPBUACISA-N -1 0 325.817 3.784 20 0 EHADRM CCCCO[C@H](C)C(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001595766128 982495228 /nfs/dbraw/zinc/49/52/28/982495228.db2.gz XHLAOYUNMDQABB-MFKMUULPSA-N -1 0 348.317 3.737 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3CCC(CC(F)(F)F)CC3)(CC1)CC2 ZINC000911583238 982514658 /nfs/dbraw/zinc/51/46/58/982514658.db2.gz GZFWKEJTPSIBRE-UHFFFAOYSA-N -1 0 347.377 3.603 20 0 EHADRM CCCc1cc(C(=O)N[C@](C)(CC(=O)[O-])c2ccccn2)sc1C ZINC000911614779 982545690 /nfs/dbraw/zinc/54/56/90/982545690.db2.gz NSVULQNWMYNLIF-GOSISDBHSA-N -1 0 346.452 3.524 20 0 EHADRM CCCCOc1ccccc1NC(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC001595780667 982551892 /nfs/dbraw/zinc/55/18/92/982551892.db2.gz BJNKIEFADMNMCP-UHFFFAOYSA-N -1 0 346.383 3.787 20 0 EHADRM COc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000026546888 1014853425 /nfs/dbraw/zinc/85/34/25/1014853425.db2.gz XHWYQJONHIBMCL-UHFFFAOYSA-N -1 0 349.305 3.654 20 0 EHADRM CCCc1sc(C(=O)N[C@H](CC(=O)[O-])c2ccncc2)cc1CC ZINC000911658004 982586164 /nfs/dbraw/zinc/58/61/64/982586164.db2.gz DBLYKDGVPVICNN-CQSZACIVSA-N -1 0 346.452 3.604 20 0 EHADRM CCCCSCCC(=O)Oc1ccc(/C=C\C(=O)[O-])cc1OC ZINC001595791566 982589331 /nfs/dbraw/zinc/58/93/31/982589331.db2.gz CJUZLNPIJMOHKC-VURMDHGXSA-N -1 0 338.425 3.622 20 0 EHADRM CCC1(CC)CN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CCS1 ZINC000911670982 982597101 /nfs/dbraw/zinc/59/71/01/982597101.db2.gz LJXGELXTWXLOOZ-UHFFFAOYSA-N -1 0 339.501 3.546 20 0 EHADRM CC(C)Oc1c(NC(=O)[C@@H]2C[C@H]2c2ccsc2)cccc1C(=O)[O-] ZINC000911733627 982618399 /nfs/dbraw/zinc/61/83/99/982618399.db2.gz GIEDWTFVDLPJLZ-UONOGXRCSA-N -1 0 345.420 3.976 20 0 EHADRM Cc1oc(-c2cccs2)nc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000915855156 982669648 /nfs/dbraw/zinc/66/96/48/982669648.db2.gz MFSFJQLQMPATIV-UHFFFAOYSA-N -1 0 346.339 3.801 20 0 EHADRM CC[C@H](C)C[C@@H](Nc1nn2cc(C3CCCC3)nc2s1)C(=O)[O-] ZINC001594953425 982679794 /nfs/dbraw/zinc/67/97/94/982679794.db2.gz SGLYXBHRAXMZFG-CMPLNLGQSA-N -1 0 336.461 3.750 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1CCO[C@H](C(C)C)C1 ZINC000923047302 982698324 /nfs/dbraw/zinc/69/83/24/982698324.db2.gz FJHOJCNFHREHOS-GUYCJALGSA-N -1 0 349.427 3.562 20 0 EHADRM CC[C@H](C)CCCCC(=O)Nc1c(C(=O)[O-])nnn1-c1ccccc1 ZINC001594959554 982707969 /nfs/dbraw/zinc/70/79/69/982707969.db2.gz XVLDOWPFLBKDCN-ZDUSSCGKSA-N -1 0 344.415 3.511 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)COC[C@H](C)c1ccccc1 ZINC000923093576 982718058 /nfs/dbraw/zinc/71/80/58/982718058.db2.gz CDJVMXNRHHNAEA-NSHDSACASA-N -1 0 333.409 3.514 20 0 EHADRM CC(C)[C@@H]1C[C@H](C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CCO1 ZINC000923105320 982727972 /nfs/dbraw/zinc/72/79/72/982727972.db2.gz RFVZSNPEHBJMMD-ACJLOTCBSA-N -1 0 341.407 3.928 20 0 EHADRM O=C([O-])c1ccccc1CCNC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000923132734 982745446 /nfs/dbraw/zinc/74/54/46/982745446.db2.gz LETZJMVMFMIQOI-QGPMSJSTSA-N -1 0 329.440 3.650 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 ZINC001594977327 982755442 /nfs/dbraw/zinc/75/54/42/982755442.db2.gz KXNPLXXLRVVEQM-CHWSQXEVSA-N -1 0 342.439 3.618 20 0 EHADRM CCCN(C)c1ccccc1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001595840491 982761674 /nfs/dbraw/zinc/76/16/74/982761674.db2.gz YTAATAIAMQYWIS-UHFFFAOYSA-N -1 0 341.411 3.804 20 0 EHADRM Cc1cc2c(CC(=O)N3CC[C@@H](C(=O)[O-])C[C@H]3C)csc2s1 ZINC000923152491 982764912 /nfs/dbraw/zinc/76/49/12/982764912.db2.gz GKLBUNZDXIYBLF-MWLCHTKSSA-N -1 0 337.466 3.525 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000923154349 982769012 /nfs/dbraw/zinc/76/90/12/982769012.db2.gz PBEQQXZBWZLCFY-LRHNDGHRSA-N -1 0 337.419 3.655 20 0 EHADRM CC[C@@H](C)N1C(=O)N[C@@H](c2sccc2Cl)C(C(=O)[O-])=C1C ZINC001594985474 982801000 /nfs/dbraw/zinc/80/10/00/982801000.db2.gz QSNPRWWSAIBMDO-RDDDGLTNSA-N -1 0 328.821 3.625 20 0 EHADRM CC[C@H](C)N1C(=O)N[C@H](c2ccsc2Cl)C(C(=O)[O-])=C1C ZINC001594985629 982806385 /nfs/dbraw/zinc/80/63/85/982806385.db2.gz WKBWVODKSRVPKU-WRWORJQWSA-N -1 0 328.821 3.625 20 0 EHADRM CCCN(CC)c1ccc(C(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])cc1 ZINC001595869177 982845782 /nfs/dbraw/zinc/84/57/82/982845782.db2.gz NRYZUBDBRRJSJB-FXAWDEMLSA-N -1 0 346.471 3.686 20 0 EHADRM CCCN(CCC)C(=O)c1ccc(N[C@@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001595872671 982860013 /nfs/dbraw/zinc/86/00/13/982860013.db2.gz DKAZMYYBPUNVCM-NVXWUHKLSA-N -1 0 332.444 3.614 20 0 EHADRM CCCN(CCc1cccc(F)c1)C(=O)c1ccccc1C(=O)[O-] ZINC001595884449 982907552 /nfs/dbraw/zinc/90/75/52/982907552.db2.gz YMWUDUNYSRQPTP-UHFFFAOYSA-N -1 0 329.371 3.619 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)N[C@](C)(CC(=O)[O-])C1CC1 ZINC001595003746 982915937 /nfs/dbraw/zinc/91/59/37/982915937.db2.gz FJNWSECSBFZHEY-WMNVFZTASA-N -1 0 345.439 3.637 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C/C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001595004652 982918483 /nfs/dbraw/zinc/91/84/83/982918483.db2.gz JNBQJXMKLIOFKD-JAHXYBOESA-N -1 0 345.439 3.637 20 0 EHADRM CCCN(Cc1ncc(C(=O)[O-])s1)[C@H](C)c1ccccc1OC ZINC001595891527 982927771 /nfs/dbraw/zinc/92/77/71/982927771.db2.gz WGZWMQRRFBOHNF-GFCCVEGCSA-N -1 0 334.441 3.823 20 0 EHADRM CC(C)[C@H](NC(=O)CC1c2ccccc2Oc2ccccc21)C(=O)[O-] ZINC001116313264 982928254 /nfs/dbraw/zinc/92/82/54/982928254.db2.gz QNJKOHAVKPTOLO-IBGZPJMESA-N -1 0 339.391 3.540 20 0 EHADRM O=C([O-])c1ccc(CN2CCC(C(=O)c3cccs3)CC2)cc1F ZINC001118491826 982957461 /nfs/dbraw/zinc/95/74/61/982957461.db2.gz BNRLGGBVSNGBNE-UHFFFAOYSA-N -1 0 347.411 3.680 20 0 EHADRM CO[C@@H]1CCC[C@H](CC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC001118576890 982960498 /nfs/dbraw/zinc/96/04/98/982960498.db2.gz DESWHDSRVIHPEI-IINYFYTJSA-N -1 0 325.792 3.572 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1cc(C2CCCC2)[nH]n1 ZINC000187001938 1014896762 /nfs/dbraw/zinc/89/67/62/1014896762.db2.gz PKXWCYKRKVGEIJ-UHFFFAOYSA-N -1 0 337.470 3.590 20 0 EHADRM C/C(=C\C(=O)N(C)C(C)(C)CC(=O)[O-])c1ccccc1C(F)(F)F ZINC001118751506 982961724 /nfs/dbraw/zinc/96/17/24/982961724.db2.gz FPEIDFIOGMQZMP-PKNBQFBNSA-N -1 0 343.345 3.820 20 0 EHADRM Cc1c(C(=O)Nc2cccc(CCC(=O)[O-])c2)cnn1C1CCCC1 ZINC001118797404 982962850 /nfs/dbraw/zinc/96/28/50/982962850.db2.gz MSMIHCREZZGXKO-UHFFFAOYSA-N -1 0 341.411 3.576 20 0 EHADRM Cc1nc2ccc(NC(=O)C34CCC(C(=O)[O-])(CC3)CC4)cc2s1 ZINC001119645277 983012810 /nfs/dbraw/zinc/01/28/10/983012810.db2.gz ROXGKILYFSVBAY-UHFFFAOYSA-N -1 0 344.436 3.968 20 0 EHADRM CCCNC(=O)c1ccc(NCc2cccc(C(=O)[O-])c2)cc1Cl ZINC001595937696 983084266 /nfs/dbraw/zinc/08/42/66/983084266.db2.gz MKJYWYLGKBGFRF-UHFFFAOYSA-N -1 0 346.814 3.790 20 0 EHADRM CCCOc1ccc(-c2noc([C@@H]3CCC[C@@H](C(=O)[O-])C3)n2)cc1 ZINC001595953038 983132570 /nfs/dbraw/zinc/13/25/70/983132570.db2.gz ZQKRPLNQAFPCBH-ZIAGYGMSSA-N -1 0 330.384 3.884 20 0 EHADRM CCCOc1ccc(NC(=O)c2ccsc2CC(=O)[O-])cc1F ZINC001595960779 983154556 /nfs/dbraw/zinc/15/45/56/983154556.db2.gz PSVFVYQJGXXIRT-UHFFFAOYSA-N -1 0 337.372 3.555 20 0 EHADRM CCCOc1cccc(CC(=O)O[C@@H](C)c2cc(C(=O)[O-])co2)c1 ZINC001595969192 983189386 /nfs/dbraw/zinc/18/93/86/983189386.db2.gz LUIDESLYJDXVFV-LBPRGKRZSA-N -1 0 332.352 3.614 20 0 EHADRM CCCSc1ccc(COC(=O)c2ccoc2CC(=O)[O-])cc1 ZINC001595988161 983242857 /nfs/dbraw/zinc/24/28/57/983242857.db2.gz ZYAWJRBMEVTIQP-UHFFFAOYSA-N -1 0 334.393 3.766 20 0 EHADRM CCC[C@@H]1C[C@H]1C(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001596008854 983268275 /nfs/dbraw/zinc/26/82/75/983268275.db2.gz VXVKGVMQCBTZRB-TZMCWYRMSA-N -1 0 344.436 3.561 20 0 EHADRM CCCc1c(C(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)[nH]c(C)c1C(=O)[O-] ZINC001596032363 983309336 /nfs/dbraw/zinc/30/93/36/983309336.db2.gz UHDZIVUSTKYLOZ-HXPMCKFVSA-N -1 0 332.444 3.626 20 0 EHADRM CCCc1c(C(=O)NC[C@H](C)c2cccc(C)c2)[nH]c(C)c1C(=O)[O-] ZINC001596037886 983324204 /nfs/dbraw/zinc/32/42/04/983324204.db2.gz XMCQIZADTKOADI-ZDUSSCGKSA-N -1 0 342.439 3.816 20 0 EHADRM CCCc1c(C(=O)Nc2cc(Cl)ccc2O)[nH]c(C)c1C(=O)[O-] ZINC001596045107 983331119 /nfs/dbraw/zinc/33/11/19/983331119.db2.gz AERGFZLEJNIKER-UHFFFAOYSA-N -1 0 336.775 3.585 20 0 EHADRM CCCc1c(NCc2ncc(C(=O)[O-])s2)cnn1-c1ccccc1 ZINC001596051521 983351791 /nfs/dbraw/zinc/35/17/91/983351791.db2.gz WPJKFJNYCJUTKX-UHFFFAOYSA-N -1 0 342.424 3.592 20 0 EHADRM CCCc1ccc(C(=O)N2C[C@@H](C(=O)[O-])Cc3ccccc32)s1 ZINC001596060413 983368580 /nfs/dbraw/zinc/36/85/80/983368580.db2.gz HOXFFIWXDQPCRD-ZDUSSCGKSA-N -1 0 329.421 3.604 20 0 EHADRM CCCc1ccc(CCCC(=O)N(C)C2(C(=O)[O-])CCCC2)cc1 ZINC001596062924 983373423 /nfs/dbraw/zinc/37/34/23/983373423.db2.gz NDFAOSOCGGNRRV-UHFFFAOYSA-N -1 0 331.456 3.818 20 0 EHADRM CCCc1ccccc1NC(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC001596070769 983387907 /nfs/dbraw/zinc/38/79/07/983387907.db2.gz YNTSROJWYALCBS-UHFFFAOYSA-N -1 0 342.395 3.668 20 0 EHADRM CCCc1nc(C(=O)Oc2cccc3c(CC(=O)[O-])cccc23)co1 ZINC001596077553 983394005 /nfs/dbraw/zinc/39/40/05/983394005.db2.gz IUOOSJBGPHMAGX-UHFFFAOYSA-N -1 0 339.347 3.627 20 0 EHADRM CCCc1csc(NC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])n1 ZINC001596082711 983402299 /nfs/dbraw/zinc/40/22/99/983402299.db2.gz YMMARLZBEWRAAM-FZMZJTMJSA-N -1 0 347.440 3.679 20 0 EHADRM CCCn1c(C(=O)N(CC(=O)[O-])C2CCCCC2)cc2ccccc21 ZINC001596107268 983431776 /nfs/dbraw/zinc/43/17/76/983431776.db2.gz CRRBTZSXTAZDEJ-UHFFFAOYSA-N -1 0 342.439 3.911 20 0 EHADRM CCCn1cc(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])c(C)n1 ZINC001596113762 983444366 /nfs/dbraw/zinc/44/43/66/983444366.db2.gz SXTKPCQJSBGKQY-UHFFFAOYSA-N -1 0 329.400 3.675 20 0 EHADRM CCCn1cc(N[C@H](C(=O)[O-])c2ccccc2C(F)(F)F)cn1 ZINC001596115901 983445872 /nfs/dbraw/zinc/44/58/72/983445872.db2.gz MPHUCOOWEJIWIW-ZDUSSCGKSA-N -1 0 327.306 3.550 20 0 EHADRM CCN(C(=O)[C@@H](SC)c1ccccc1)c1ccccc1C(=O)[O-] ZINC001596131565 983478966 /nfs/dbraw/zinc/47/89/66/983478966.db2.gz OZSAIMNNXTZEOJ-INIZCTEOSA-N -1 0 329.421 3.842 20 0 EHADRM CCN(C(=O)Cc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1F ZINC001596143041 983495784 /nfs/dbraw/zinc/49/57/84/983495784.db2.gz IKGOKMQVJUNHLG-UHFFFAOYSA-N -1 0 335.762 3.773 20 0 EHADRM CCN(C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)C1CC(C)(C)C1 ZINC001596150123 983509091 /nfs/dbraw/zinc/50/90/91/983509091.db2.gz DNEADZHQMJAAFP-UHFFFAOYSA-N -1 0 326.343 3.705 20 0 EHADRM CCN(C(=O)Nc1ccc(F)c(C(=O)[O-])c1C)[C@@H](C)c1cccnc1 ZINC001596157523 983518855 /nfs/dbraw/zinc/51/88/55/983518855.db2.gz CIFRZCGAWTZVOH-LBPRGKRZSA-N -1 0 345.374 3.842 20 0 EHADRM CCN(C(=O)c1cc2c(ccc(C)c2C)[nH]1)c1ncc(C(=O)[O-])s1 ZINC001596165007 983528705 /nfs/dbraw/zinc/52/87/05/983528705.db2.gz HSWOSODCHAGCDL-UHFFFAOYSA-N -1 0 343.408 3.606 20 0 EHADRM CCN(C(=O)c1oc(C(=O)[O-])cc1C)c1ccc(Cl)cc1F ZINC001596174529 983540423 /nfs/dbraw/zinc/54/04/23/983540423.db2.gz FGGRUEKMLNECNV-UHFFFAOYSA-N -1 0 325.723 3.745 20 0 EHADRM CCN(Cc1ccc(C(=O)[O-])cn1)Cc1ccccc1Br ZINC001596357891 983830965 /nfs/dbraw/zinc/83/09/65/983830965.db2.gz QNWNXBGJBSIHHP-UHFFFAOYSA-N -1 0 349.228 3.564 20 0 EHADRM CCN(Cc1ccccc1F)Cc1ccccc1O[C@H](C)C(=O)[O-] ZINC001596371877 983875182 /nfs/dbraw/zinc/87/51/82/983875182.db2.gz RCZCNULHHFMYKL-CQSZACIVSA-N -1 0 331.387 3.700 20 0 EHADRM CCN(Cc1ccccc1C)C(=O)Nc1ccc(OC)cc1C(=O)[O-] ZINC001596371980 983875704 /nfs/dbraw/zinc/87/57/04/983875704.db2.gz ZDKQAADYRFBLGK-UHFFFAOYSA-N -1 0 342.395 3.756 20 0 EHADRM CCN(c1ccc(C(=O)Oc2ccc(CC(=O)[O-])cc2)cc1)C(C)C ZINC001596383009 983906223 /nfs/dbraw/zinc/90/62/23/983906223.db2.gz NBPXVNHHYWCKCV-UHFFFAOYSA-N -1 0 341.407 3.768 20 0 EHADRM CCN(c1ccc(NC(=O)c2ccsc2CC(=O)[O-])cc1)C(C)C ZINC001596385576 983912660 /nfs/dbraw/zinc/91/26/60/983912660.db2.gz IVKPKIFDQGJIAZ-UHFFFAOYSA-N -1 0 346.452 3.862 20 0 EHADRM CCNc1nnc(S[C@@H](C(=O)[O-])c2ccc(Cl)cc2)s1 ZINC001596509307 984269979 /nfs/dbraw/zinc/26/99/79/984269979.db2.gz GVWVVXHCYIPYRV-SECBINFHSA-N -1 0 329.834 3.541 20 0 EHADRM CCOC(=O)[C@]12CCC[C@@H]1C[C@@H](Nc1ccc(CCC(=O)[O-])cc1)C2 ZINC001596562947 984441645 /nfs/dbraw/zinc/44/16/45/984441645.db2.gz FYSIJIIVAUWMBH-MDYRTPRTSA-N -1 0 345.439 3.628 20 0 EHADRM C/C(=C/C(=O)N(CC(=O)[O-])CC(C)C)c1ccc(C(F)(F)F)cc1 ZINC001588932100 984605108 /nfs/dbraw/zinc/60/51/08/984605108.db2.gz AUHIBPHEXPGJCH-WQLSENKSSA-N -1 0 343.345 3.678 20 0 EHADRM C/C(=C\C(=O)N1CCCc2ccc(C(=O)[O-])cc21)c1cccs1 ZINC001588937622 984617831 /nfs/dbraw/zinc/61/78/31/984617831.db2.gz NDLCMRIMWOYFBF-ZRDIBKRKSA-N -1 0 327.405 3.829 20 0 EHADRM C/C(=C\C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21)c1cccs1 ZINC001588937873 984619770 /nfs/dbraw/zinc/61/97/70/984619770.db2.gz WCOOJYGTMYFMLJ-SRXBQZRASA-N -1 0 327.405 3.757 20 0 EHADRM C/C(=C\C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)c1ccco1 ZINC001588944302 984646552 /nfs/dbraw/zinc/64/65/52/984646552.db2.gz VSXHFLKRUMUNFV-ACCUITESSA-N -1 0 340.379 3.620 20 0 EHADRM C/C(=C/C1CCC(C)CC1)C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001588956526 984705496 /nfs/dbraw/zinc/70/54/96/984705496.db2.gz RYSWVBLBCJXFNB-XFDQNJPYSA-N -1 0 341.451 3.970 20 0 EHADRM C[C@H](NC(=O)Nc1cc(C(=O)[O-])cnc1Cl)C1CCCCCC1 ZINC001599893707 984726817 /nfs/dbraw/zinc/72/68/17/984726817.db2.gz AHDKLYYEAOAVHY-JTQLQIEISA-N -1 0 339.823 3.914 20 0 EHADRM C[C@H](NC(=O)c1ccc(/C=C/C(=O)[O-])o1)c1cc2ccccc2o1 ZINC001599900649 984818191 /nfs/dbraw/zinc/81/81/91/984818191.db2.gz IRWBMJIMDASZDG-DJYGCBNOSA-N -1 0 325.320 3.615 20 0 EHADRM C[C@H](OC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)[O-] ZINC001599904249 984902322 /nfs/dbraw/zinc/90/23/22/984902322.db2.gz QTIPOVRZIWBNDA-QMMMGPOBSA-N -1 0 328.242 3.595 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)OCc1cc(C(=O)[O-])ccc1C ZINC001588998406 984934962 /nfs/dbraw/zinc/93/49/62/984934962.db2.gz KMUYMCOOKAIIHE-UKTHLTGXSA-N -1 0 328.339 3.979 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001588998394 984935080 /nfs/dbraw/zinc/93/50/80/984935080.db2.gz KHXPXYKXSFTLBE-XSSIKURBSA-N -1 0 333.403 3.769 20 0 EHADRM C[C@H]1CC[C@@](C)(CNC(=O)NCCCCCCC(=O)[O-])C1(C)C ZINC001599908253 984951033 /nfs/dbraw/zinc/95/10/33/984951033.db2.gz QFBPUFRRTUYNCD-KSSFIOAISA-N -1 0 326.481 3.783 20 0 EHADRM C/C(=C\c1ccccc1Cl)C(=O)NCc1ccccc1C(=O)[O-] ZINC001589004106 984960935 /nfs/dbraw/zinc/96/09/35/984960935.db2.gz XMHHOISTYZCYPI-ZRDIBKRKSA-N -1 0 329.783 3.758 20 0 EHADRM C/C(=C\c1ccco1)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001589011485 984990703 /nfs/dbraw/zinc/99/07/03/984990703.db2.gz ZZAITWZVRYEPGN-CJTWTEFWSA-N -1 0 327.380 3.651 20 0 EHADRM CC(=O)CC(C)(C)CC(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-] ZINC001589029614 985054335 /nfs/dbraw/zinc/05/43/35/985054335.db2.gz INKNWGHMLZZSQL-UHFFFAOYSA-N -1 0 329.755 3.511 20 0 EHADRM C[C@H]1CN(C(=O)N[C@H](CC2CCC2)c2ccccc2)C[C@]1(C)C(=O)[O-] ZINC001599917916 985085132 /nfs/dbraw/zinc/08/51/32/985085132.db2.gz YSJNODCHIKMIEC-NQYLQCIDSA-N -1 0 344.455 3.670 20 0 EHADRM CC(=O)N(C)c1ccc(OCc2c(Cl)cccc2C(=O)[O-])cc1 ZINC001589046415 985121666 /nfs/dbraw/zinc/12/16/66/985121666.db2.gz WGCHZOYKIMBAPE-UHFFFAOYSA-N -1 0 333.771 3.600 20 0 EHADRM CCOC(=O)c1sc(SCc2cc(C)c(C(=O)[O-])o2)nc1C ZINC001596761062 985149757 /nfs/dbraw/zinc/14/97/57/985149757.db2.gz NILVOSZKVHBETL-UHFFFAOYSA-N -1 0 341.410 3.520 20 0 EHADRM C[C@H]1CN(C(=O)c2cc3c(ccc4ccccc34)[nH]2)C[C@]1(C)C(=O)[O-] ZINC001599924547 985182621 /nfs/dbraw/zinc/18/26/21/985182621.db2.gz NDZKLPCYJCEXHL-YUNKPMOVSA-N -1 0 336.391 3.504 20 0 EHADRM CC(=O)NCc1ccc(N[C@H](C)c2ccc(C(=O)[O-])cc2C)cc1 ZINC001589149986 985467799 /nfs/dbraw/zinc/46/77/99/985467799.db2.gz QDSUUCFCNUOCBH-CYBMUJFWSA-N -1 0 326.396 3.502 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC001594481225 985525576 /nfs/dbraw/zinc/52/55/76/985525576.db2.gz UNVKZBYPYFDUOE-ZBEGNZNMSA-N -1 0 328.343 3.749 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])ccc2Cl)CCc2ccccc21 ZINC001594489205 985590668 /nfs/dbraw/zinc/59/06/68/985590668.db2.gz NUSPFVXTLPSMKA-GFCCVEGCSA-N -1 0 343.810 3.840 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(C(=O)[O-])ccc2Cl)[C@@H]1c1ccccc1 ZINC001594490119 985599063 /nfs/dbraw/zinc/59/90/63/985599063.db2.gz VKGBXHOTZVFKMM-ZBEGNZNMSA-N -1 0 329.783 3.871 20 0 EHADRM CC(=O)Nc1ccc(Nc2ncc(C(=O)[O-])cc2C(F)(F)F)cc1 ZINC001589199468 985632767 /nfs/dbraw/zinc/63/27/67/985632767.db2.gz NMVUOQWIZRWIKJ-UHFFFAOYSA-N -1 0 339.273 3.501 20 0 EHADRM Cc1[nH]c(C(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)c(C)c1C(=O)[O-] ZINC001599952682 985635607 /nfs/dbraw/zinc/63/56/07/985635607.db2.gz LPBLEZBWCRMGMU-CVEARBPZSA-N -1 0 340.423 3.786 20 0 EHADRM Cc1[nH]c(C(=O)Nc2ccc(Cl)cc2Cl)c(C)c1C(=O)[O-] ZINC001599954926 985671976 /nfs/dbraw/zinc/67/19/76/985671976.db2.gz SGKFYBHBSWNIBB-UHFFFAOYSA-N -1 0 327.167 3.889 20 0 EHADRM Cc1[nH]c(C(=O)Nc2cccc(COCC3CC3)c2)c(C)c1C(=O)[O-] ZINC001599954905 985672000 /nfs/dbraw/zinc/67/20/00/985672000.db2.gz QOMPBCSIYJZMQA-UHFFFAOYSA-N -1 0 342.395 3.509 20 0 EHADRM Cc1[nH]c(C(=O)Nc2ccc(Cc3ccncc3)cc2)c(C)c1C(=O)[O-] ZINC001599954939 985672237 /nfs/dbraw/zinc/67/22/37/985672237.db2.gz UBLNAYSZMNDNOP-UHFFFAOYSA-N -1 0 349.390 3.568 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@@H]1CCCc2ccc(Cl)cc21 ZINC001599956887 985704377 /nfs/dbraw/zinc/70/43/77/985704377.db2.gz ZRRQSVNFFZNUGR-CQSZACIVSA-N -1 0 346.814 3.791 20 0 EHADRM O=C([O-])c1csc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2Cl)c1 ZINC000191343223 1032111346 /nfs/dbraw/zinc/11/13/46/1032111346.db2.gz IIHZKWDOYQUETE-IUCAKERBSA-N -1 0 339.775 3.981 20 0 EHADRM O=C([O-])c1csc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2Cl)c1 ZINC000191343252 1032111462 /nfs/dbraw/zinc/11/14/62/1032111462.db2.gz IIHZKWDOYQUETE-DTWKUNHWSA-N -1 0 339.775 3.981 20 0 EHADRM Cc1[nH]c(CNc2cccc(COCc3ccco3)c2)cc1C(=O)[O-] ZINC001599964165 985862980 /nfs/dbraw/zinc/86/29/80/985862980.db2.gz YWSHSVRPMPGBDN-UHFFFAOYSA-N -1 0 340.379 3.943 20 0 EHADRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)Nc1cccc(C(=O)[O-])c1N ZINC001599966328 985912632 /nfs/dbraw/zinc/91/26/32/985912632.db2.gz OEFLUYDDQROGFM-UHFFFAOYSA-N -1 0 343.770 3.662 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001589266498 985940315 /nfs/dbraw/zinc/94/03/15/985940315.db2.gz DHXAWOUEJAOWGE-DLBZAZTESA-N -1 0 338.359 3.605 20 0 EHADRM Cc1c(=O)[nH]c(SCC2(C(=O)[O-])CCCC2)nc1-c1ccccc1 ZINC001599969851 985985956 /nfs/dbraw/zinc/98/59/56/985985956.db2.gz VJXZLZJPPLGKQJ-UHFFFAOYSA-N -1 0 344.436 3.895 20 0 EHADRM CC(=O)c1cccc(C(=O)Nc2c(Cl)ccc(F)c2C(=O)[O-])c1 ZINC001589304775 986067252 /nfs/dbraw/zinc/06/72/52/986067252.db2.gz DRPCMYKQZGOPCM-UHFFFAOYSA-N -1 0 335.718 3.632 20 0 EHADRM CC(=O)c1ccc2c(c1)CN([C@H](C(=O)[O-])c1ccc(Cl)cc1)C2 ZINC001589306172 986072167 /nfs/dbraw/zinc/07/21/67/986072167.db2.gz RMCPUMBBFMEUOI-KRWDZBQOSA-N -1 0 329.783 3.684 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N([C@@H](C)C(=O)[O-])C1CCC1 ZINC001599975504 986083286 /nfs/dbraw/zinc/08/32/86/986083286.db2.gz AFPUTRDHYGRCNH-JTQLQIEISA-N -1 0 335.400 3.817 20 0 EHADRM Cc1c2cccc(Cl)c2[nH]c1C(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC001599977984 986121271 /nfs/dbraw/zinc/12/12/71/986121271.db2.gz NRIVRSZRMWEHGV-CQSZACIVSA-N -1 0 348.811 3.747 20 0 EHADRM Cc1c2cccc(Cl)c2[nH]c1C(=O)NCC1(C(=O)[O-])CCCC1 ZINC001599979641 986145294 /nfs/dbraw/zinc/14/52/94/986145294.db2.gz CYBANURKAXXKLE-UHFFFAOYSA-N -1 0 334.803 3.505 20 0 EHADRM CCOCc1ccc(N[C@H](C)c2ccccc2OCC(=O)[O-])cc1 ZINC001596966539 986175778 /nfs/dbraw/zinc/17/57/78/986175778.db2.gz WNKOELNETXLJQQ-CQSZACIVSA-N -1 0 329.396 3.860 20 0 EHADRM Cc1c2ccccc2oc1C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC001599982759 986186648 /nfs/dbraw/zinc/18/66/48/986186648.db2.gz ZDGHBOUIVBCBDG-HNNXBMFYSA-N -1 0 337.375 3.557 20 0 EHADRM Cc1c(Br)scc1C(=O)Nc1ccccc1C(=O)[O-] ZINC001599983768 986201360 /nfs/dbraw/zinc/20/13/60/986201360.db2.gz DEYQVDVTXLPQML-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM C[C@H](C(=O)N(C)c1ccc(OCC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001589339900 986242264 /nfs/dbraw/zinc/24/22/64/986242264.db2.gz MGQUIBJQAGMTHH-LBPRGKRZSA-N -1 0 347.798 3.570 20 0 EHADRM C[C@H](C(=O)N(CC(=O)[O-])C1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC001589342039 986261315 /nfs/dbraw/zinc/26/13/15/986261315.db2.gz TYYNDHYZFUDRNB-NSHDSACASA-N -1 0 343.345 3.665 20 0 EHADRM CCOc1cc(Br)ccc1NC1CC(CC(=O)[O-])C1 ZINC001596993448 986283644 /nfs/dbraw/zinc/28/36/44/986283644.db2.gz BPPVBZPQLXAUQJ-UHFFFAOYSA-N -1 0 328.206 3.513 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)C(F)(F)c1ccc(C)cc1 ZINC001597008844 986337578 /nfs/dbraw/zinc/33/75/78/986337578.db2.gz FXMNRWIXAKJNFO-UHFFFAOYSA-N -1 0 349.333 3.822 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001597009309 986342847 /nfs/dbraw/zinc/34/28/47/986342847.db2.gz MFDBTEVJTLKBEM-HALDLXJZSA-N -1 0 331.412 3.938 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)/C=C\c1ccccc1F ZINC001597016263 986377362 /nfs/dbraw/zinc/37/73/62/986377362.db2.gz SMYAMZDRKVSMCA-NTMALXAHSA-N -1 0 329.327 3.575 20 0 EHADRM CCC[C@](C)(NC(=O)CCSc1ccccc1Cl)C(=O)[O-] ZINC000036338108 1015217373 /nfs/dbraw/zinc/21/73/73/1015217373.db2.gz XZRCPAYJHLBHTK-HNNXBMFYSA-N -1 0 329.849 3.582 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1cccc2ncccc21 ZINC001597026451 986433909 /nfs/dbraw/zinc/43/39/09/986433909.db2.gz XKLUXZCMCVQSEV-UHFFFAOYSA-N -1 0 336.347 3.584 20 0 EHADRM CC(C(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1)=C1CCC1 ZINC001589378518 986445151 /nfs/dbraw/zinc/44/51/51/986445151.db2.gz LZMPSPAJTNBNFD-MRXNPFEDSA-N -1 0 342.222 3.910 20 0 EHADRM C[C@@H]1CN(c2ncc(C(=O)[O-])cc2Cl)CCc2ccc(F)cc21 ZINC001594584086 986456620 /nfs/dbraw/zinc/45/66/20/986456620.db2.gz WIJGJIUJOICDOE-SNVBAGLBSA-N -1 0 334.778 3.739 20 0 EHADRM C[C@@H](C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F)c1ccco1 ZINC001589387037 986490683 /nfs/dbraw/zinc/49/06/83/986490683.db2.gz DBELQSGRZRUAMW-NOZJJQNGSA-N -1 0 341.285 3.501 20 0 EHADRM CCOc1cc(NC(=O)NCc2ccc(C(=O)[O-])cc2F)ccc1C ZINC001597043057 986498218 /nfs/dbraw/zinc/49/82/18/986498218.db2.gz KOVGPVGZMZPCEV-UHFFFAOYSA-N -1 0 346.358 3.553 20 0 EHADRM C[C@@H](C(=O)NC[C@H](CC1CCCC1)C(=O)[O-])c1cc2ccccc2o1 ZINC001589403132 986575704 /nfs/dbraw/zinc/57/57/04/986575704.db2.gz ANJNJLKKPLDTBR-CJNGLKHVSA-N -1 0 343.423 3.934 20 0 EHADRM CCOc1ccc([C@H](Nc2cc(C(=O)[O-])ncn2)c2ccccc2)cc1 ZINC001597073713 986594457 /nfs/dbraw/zinc/59/44/57/986594457.db2.gz AMZMDXRKZXNJSJ-LJQANCHMSA-N -1 0 349.390 3.775 20 0 EHADRM C[C@@H]1CSc2ccccc2N1CCOc1cccc(C(=O)[O-])c1 ZINC001594612323 986607972 /nfs/dbraw/zinc/60/79/72/986607972.db2.gz JWLCZMPMTUBRAG-CYBMUJFWSA-N -1 0 329.421 3.764 20 0 EHADRM C[C@@H](C(=O)NCCc1ccccc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001589409903 986608178 /nfs/dbraw/zinc/60/81/78/986608178.db2.gz MQHKFQXBRFVPKB-GFCCVEGCSA-N -1 0 331.799 3.501 20 0 EHADRM C[C@H](C(=O)NCc1ccc(OCCCC(=O)[O-])cc1)[C@H](C)C(C)(C)C ZINC001589416208 986652484 /nfs/dbraw/zinc/65/24/84/986652484.db2.gz SWQAKIMWKDAJKT-GJZGRUSLSA-N -1 0 349.471 3.865 20 0 EHADRM CC(C)c1sc(NC(=O)c2cccc3c2O[C@H](C)C3)nc1C(=O)[O-] ZINC001594621871 986663322 /nfs/dbraw/zinc/66/33/22/986663322.db2.gz XYEXJHVMRCNRHH-SECBINFHSA-N -1 0 346.408 3.540 20 0 EHADRM C[C@H]1N(Cc2ccc(-c3ccccc3C(=O)[O-])o2)CCOC1(C)C ZINC001594628091 986702490 /nfs/dbraw/zinc/70/24/90/986702490.db2.gz ZRITVBJFAJQLFG-CYBMUJFWSA-N -1 0 329.396 3.644 20 0 EHADRM C[C@H](C(=O)Nc1ccc(Br)cc1C(=O)[O-])C1CCCC1 ZINC001589431903 986734759 /nfs/dbraw/zinc/73/47/59/986734759.db2.gz RTPHGTWCZIIAQA-VIFPVBQESA-N -1 0 340.217 3.912 20 0 EHADRM CCOc1ccc(N(C)C(=O)Nc2ccc(F)c(C(=O)[O-])c2C)cc1 ZINC001597105617 986739379 /nfs/dbraw/zinc/73/93/79/986739379.db2.gz GULPBOPDWKRCEU-UHFFFAOYSA-N -1 0 346.358 3.899 20 0 EHADRM CCOc1ccc(N(C)C(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC001597106259 986746027 /nfs/dbraw/zinc/74/60/27/986746027.db2.gz LYGWDHIKGCGLAD-UHFFFAOYSA-N -1 0 342.395 3.771 20 0 EHADRM CCOc1ccc(NC(=O)/C=C(/C)c2ccccc2)c(C(=O)[O-])c1F ZINC001597111148 986761531 /nfs/dbraw/zinc/76/15/31/986761531.db2.gz BLVLAEOBFOLUJI-QXMHVHEDSA-N -1 0 343.354 3.965 20 0 EHADRM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001594641247 986792769 /nfs/dbraw/zinc/79/27/69/986792769.db2.gz WLTUEGHVOHMTMV-QOBXEIRBSA-N -1 0 348.424 3.533 20 0 EHADRM CCOc1ccc(NC(=S)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC001597123718 986827000 /nfs/dbraw/zinc/82/70/00/986827000.db2.gz QHMRQNLBDIPEGX-UHFFFAOYSA-N -1 0 334.372 3.732 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC001589453372 986860149 /nfs/dbraw/zinc/86/01/49/986860149.db2.gz FWCSJULUVAHFEB-ASEORRQLSA-N -1 0 343.345 3.543 20 0 EHADRM C[C@@H]1Oc2ccccc2[C@H]1NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001594651523 986877148 /nfs/dbraw/zinc/87/71/48/986877148.db2.gz SLQFXBRMTFRWQJ-VFZGTOFNSA-N -1 0 346.770 3.682 20 0 EHADRM CCOc1cccc(C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)c1 ZINC001597145614 986907294 /nfs/dbraw/zinc/90/72/94/986907294.db2.gz JDNXPUZTQXJSNU-UHFFFAOYSA-N -1 0 331.393 3.758 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1ccc(F)c2occc21)c1ccccc1 ZINC001589461934 986914075 /nfs/dbraw/zinc/91/40/75/986914075.db2.gz IPMYYJKXWWJWPD-ZBEGNZNMSA-N -1 0 341.338 3.764 20 0 EHADRM C[C@@H]1c2c(F)cccc2CCN1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001594665898 986961831 /nfs/dbraw/zinc/96/18/31/986961831.db2.gz MVKXLCGJQVHYIU-LLVKDONJSA-N -1 0 339.370 3.520 20 0 EHADRM C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001594666230 986964535 /nfs/dbraw/zinc/96/45/35/986964535.db2.gz SBNCPMUEIARRLW-IEBDPFPHSA-N -1 0 342.222 3.550 20 0 EHADRM C[C@@H]1c2cc(F)cc(F)c2CCN1Cc1ccc(OCC(=O)[O-])cc1 ZINC001594666431 986965312 /nfs/dbraw/zinc/96/53/12/986965312.db2.gz VXPIWARSIBYZNM-GFCCVEGCSA-N -1 0 347.361 3.548 20 0 EHADRM C[C@@H]1c2ccccc2OCCN1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001594669074 986977709 /nfs/dbraw/zinc/97/77/09/986977709.db2.gz ZKVVOHYGUVHAMU-LLVKDONJSA-N -1 0 344.342 3.511 20 0 EHADRM CCOc1ccccc1COc1ccc(/C=C\C(=O)[O-])cc1OC ZINC001597178172 987024402 /nfs/dbraw/zinc/02/44/02/987024402.db2.gz BZBARBACEONNJL-LUAWRHEFSA-N -1 0 328.364 3.771 20 0 EHADRM CC/C(=C\C(=O)Nc1c(C(=O)[O-])c(C)nn1C)c1cccc(Cl)c1 ZINC001594690852 987084908 /nfs/dbraw/zinc/08/49/08/987084908.db2.gz KBOGNDFXBITTSU-PKNBQFBNSA-N -1 0 347.802 3.512 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2CCC[C@@H](C3CCC3)C2)cc1 ZINC001589509792 987133150 /nfs/dbraw/zinc/13/31/50/987133150.db2.gz QSLXECLGZNQRKQ-XJKSGUPXSA-N -1 0 330.428 3.919 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N[C@H]2CCSC(C)(C)C2)cc1 ZINC001589512892 987153546 /nfs/dbraw/zinc/15/35/46/987153546.db2.gz NJPXFXSSFQOINO-FZMZJTMJSA-N -1 0 336.457 3.670 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)C2(C(F)(F)F)CCCC2)c1 ZINC001589522880 987183094 /nfs/dbraw/zinc/18/30/94/987183094.db2.gz QZTBYQGOQUKJIH-JTQLQIEISA-N -1 0 329.318 3.936 20 0 EHADRM CCC(=O)c1ccc(OCCOc2ccc(C=CC(=O)[O-])cc2)cc1 ZINC001594721118 987202760 /nfs/dbraw/zinc/20/27/60/987202760.db2.gz PUKNUTOXLKEVGN-LFYBBSHMSA-N -1 0 340.375 3.835 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cc3ccccc3cc2O)c1 ZINC001589531544 987204661 /nfs/dbraw/zinc/20/46/61/987204661.db2.gz GYMQQZXLNPJECQ-LBPRGKRZSA-N -1 0 335.359 3.986 20 0 EHADRM CC[C@H](C(=O)N(C)c1ccc(OCC(=O)[O-])cc1)C1CCC(C)CC1 ZINC001594725627 987231648 /nfs/dbraw/zinc/23/16/48/987231648.db2.gz ZGGZPTBFLBFVHK-JMLCCBQJSA-N -1 0 347.455 3.965 20 0 EHADRM CC[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1)c1ccc(F)cc1 ZINC001594728286 987234038 /nfs/dbraw/zinc/23/40/38/987234038.db2.gz CXJHZIIULQFREZ-DOTOQJQBSA-N -1 0 347.361 3.709 20 0 EHADRM C[C@H](C(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F)C1CCC1 ZINC001589539263 987234395 /nfs/dbraw/zinc/23/43/95/987234395.db2.gz BVWBMHPJNXCIBS-TVQRCGJNSA-N -1 0 330.302 3.968 20 0 EHADRM C[C@@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1)C(C)(F)F ZINC001589540484 987243958 /nfs/dbraw/zinc/24/39/58/987243958.db2.gz KSOATYMTKBWPRN-QUBYGPBYSA-N -1 0 341.137 3.954 20 0 EHADRM CC[C@H](C(=O)N1C[C@H](C(=O)[O-])Cc2ccccc21)c1ccc(F)cc1 ZINC001594729702 987245268 /nfs/dbraw/zinc/24/52/68/987245268.db2.gz LBDKFSFVZQXTKF-WBVHZDCISA-N -1 0 341.382 3.609 20 0 EHADRM C[C@H](OC(=O)[C@@H](C)c1ccc2c(c1)OCO2)c1ccc(C(=O)[O-])cc1 ZINC001589546371 987268407 /nfs/dbraw/zinc/26/84/07/987268407.db2.gz HPUTZAALZNNGFJ-RYUDHWBXSA-N -1 0 342.347 3.521 20 0 EHADRM C[C@H](C(=O)OCCc1ccccc1C(=O)[O-])c1ccc(F)cc1F ZINC001589548138 987273935 /nfs/dbraw/zinc/27/39/35/987273935.db2.gz BARVHOVDDJGTDE-NSHDSACASA-N -1 0 334.318 3.552 20 0 EHADRM C[C@@H](C(=O)OCc1c2ccccc2sc1C(=O)[O-])C(C)(F)F ZINC001589548629 987278347 /nfs/dbraw/zinc/27/83/47/987278347.db2.gz JOGYAFVGOGNJRO-QMMMGPOBSA-N -1 0 328.336 3.934 20 0 EHADRM CC(C)(C(=O)COc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC001589560648 987315459 /nfs/dbraw/zinc/31/54/59/987315459.db2.gz LBXRGLDEDRBMDE-UHFFFAOYSA-N -1 0 332.783 3.964 20 0 EHADRM CCSc1cccc(CNC(=O)c2ccccc2CCC(=O)[O-])c1 ZINC001597277704 987336898 /nfs/dbraw/zinc/33/68/98/987336898.db2.gz YJKBJSTVCWWTNZ-UHFFFAOYSA-N -1 0 343.448 3.746 20 0 EHADRM CC(C)(C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1)c1cccc(Cl)c1F ZINC001589581050 987361356 /nfs/dbraw/zinc/36/13/56/987361356.db2.gz XKUKNZJZYMRMIR-MNOVXSKESA-N -1 0 341.810 3.516 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 ZINC001589598040 987417703 /nfs/dbraw/zinc/41/77/03/987417703.db2.gz FQFOPUAAHWOUSH-SQNIBIBYSA-N -1 0 337.419 3.758 20 0 EHADRM O=c1nc(Cc2ccccc2F)[n-]c2c(-c3ccccc3)nsc21 ZINC000547702129 1015306979 /nfs/dbraw/zinc/30/69/79/1015306979.db2.gz DIJUTXROLNGEMO-UHFFFAOYSA-N -1 0 337.379 3.777 20 0 EHADRM CCc1[nH]c(C(=O)N(C)[C@H](C)c2ccc(F)cc2)c(C)c1C(=O)[O-] ZINC001597354589 987497067 /nfs/dbraw/zinc/49/70/67/987497067.db2.gz KKFZFIYCDAIJLK-LLVKDONJSA-N -1 0 332.375 3.556 20 0 EHADRM CCc1[nH]c(C(=O)N(C)c2cc(Cl)ccc2C)c(C)c1C(=O)[O-] ZINC001597354937 987498898 /nfs/dbraw/zinc/49/88/98/987498898.db2.gz SJBWMOJVIGMPTC-UHFFFAOYSA-N -1 0 334.803 3.822 20 0 EHADRM CC[C@H]1CC[C@H](C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)CC1 ZINC001597355640 987502406 /nfs/dbraw/zinc/50/24/06/987502406.db2.gz JHHASKFBMRCLOF-CTYIDZIISA-N -1 0 337.847 3.970 20 0 EHADRM CC[C@H](OC(=O)c1c(C)coc1CC(=O)[O-])c1ccc(C)c(F)c1 ZINC001597355679 987503627 /nfs/dbraw/zinc/50/36/27/987503627.db2.gz JRUGBEDPHIEPSO-AWEZNQCLSA-N -1 0 334.343 3.971 20 0 EHADRM CCc1[nH]c(C(=O)N(CC)[C@H](C)Cc2ccsc2)c(C)c1C(=O)[O-] ZINC001597357637 987508123 /nfs/dbraw/zinc/50/81/23/987508123.db2.gz FHCZEDYRYDWFIZ-LLVKDONJSA-N -1 0 348.468 3.739 20 0 EHADRM CCc1[nH]c(C(=O)N[C@@H]2CCCc3c(C)cccc32)c(C)c1C(=O)[O-] ZINC001597367089 987540496 /nfs/dbraw/zinc/54/04/96/987540496.db2.gz LWRPWLCTAJQUPG-MRXNPFEDSA-N -1 0 340.423 3.700 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N2CCC(CCF)CC2)cc1 ZINC001589636579 987555752 /nfs/dbraw/zinc/55/57/52/987555752.db2.gz ZWPHCBQFUXICQU-UHFFFAOYSA-N -1 0 336.407 3.652 20 0 EHADRM CCc1[nH]c(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)c(C)c1C(=O)[O-] ZINC001597384906 987591587 /nfs/dbraw/zinc/59/15/87/987591587.db2.gz NFVVTZHCZFVNEX-GDBMZVCRSA-N -1 0 340.423 3.650 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)CCCc2ccccc2)c1 ZINC001589650642 987598884 /nfs/dbraw/zinc/59/88/84/987598884.db2.gz MOBWTPDHNATAFY-UHFFFAOYSA-N -1 0 326.392 3.977 20 0 EHADRM CCc1c(C(=O)Nc2cccc3cc(C(=O)[O-])sc32)ccn1C ZINC001597412973 987708445 /nfs/dbraw/zinc/70/84/45/987708445.db2.gz SWMANAJCXZOGJI-UHFFFAOYSA-N -1 0 328.393 3.753 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)NC2(CC(=O)[O-])CCCC2)cc1 ZINC001589696961 987778913 /nfs/dbraw/zinc/77/89/13/987778913.db2.gz VUQOTKCRCCFYAC-UHFFFAOYSA-N -1 0 346.427 3.824 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2oc3c(c2C)C(=O)CCC3)s1 ZINC001597446019 987821431 /nfs/dbraw/zinc/82/14/31/987821431.db2.gz WLVACKPNMQALPO-UHFFFAOYSA-N -1 0 347.392 3.681 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)Oc1ccc(C)cc1 ZINC001597449493 987833714 /nfs/dbraw/zinc/83/37/14/987833714.db2.gz FGRITWBWEYEFSU-CYBMUJFWSA-N -1 0 327.380 3.662 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)Cc1cccc(OC(C)C)c1 ZINC001597451509 987842727 /nfs/dbraw/zinc/84/27/27/987842727.db2.gz DRDOZYZSQNABBS-UHFFFAOYSA-N -1 0 341.407 3.916 20 0 EHADRM CC(C)(C)C(F)(F)CNc1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001589712502 987846319 /nfs/dbraw/zinc/84/63/19/987846319.db2.gz XGMNXCMKBMYPTC-UHFFFAOYSA-N -1 0 326.265 3.892 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N(C)Cc1ccc(OC)cc1 ZINC001597454136 987860384 /nfs/dbraw/zinc/86/03/84/987860384.db2.gz ZDJYDBOVCXUNDW-UHFFFAOYSA-N -1 0 342.395 3.620 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NC[C@H](C)c1ncc(C)s1 ZINC001597459217 987883421 /nfs/dbraw/zinc/88/34/21/987883421.db2.gz XSROLQKVLMWQKJ-JTQLQIEISA-N -1 0 347.440 3.637 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCCc1ccc(F)c(F)c1 ZINC001597459801 987887474 /nfs/dbraw/zinc/88/74/74/987887474.db2.gz MPOISRIVHCXQID-UHFFFAOYSA-N -1 0 348.349 3.590 20 0 EHADRM CS[C@@H](CNC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1)C(C)(C)C ZINC001599786682 987934193 /nfs/dbraw/zinc/93/41/93/987934193.db2.gz DSRYTQWVRJVYCW-FZMZJTMJSA-N -1 0 338.473 3.774 20 0 EHADRM CS[C@H](CNC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)C(C)(C)C ZINC001599787008 987940116 /nfs/dbraw/zinc/94/01/16/987940116.db2.gz JFRXSHIUTUZXIH-LLVKDONJSA-N -1 0 346.399 3.562 20 0 EHADRM CC(C)(C)[C@@H]1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CCO1 ZINC001589731418 987947881 /nfs/dbraw/zinc/94/78/81/987947881.db2.gz CQXPEMJGFMJEBZ-LSDHHAIUSA-N -1 0 325.836 3.603 20 0 EHADRM CCc1cc(Cl)c(Cl)cc1OC(=O)CCSCC(=O)[O-] ZINC001597478159 987957264 /nfs/dbraw/zinc/95/72/64/987957264.db2.gz DIADHGYWCOEMCN-UHFFFAOYSA-N -1 0 337.224 3.669 20 0 EHADRM CS[C@H]1CCC[C@H](NC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC001599789295 987978969 /nfs/dbraw/zinc/97/89/69/987978969.db2.gz RLCRYYAKUJVAHX-YHUYYLMFSA-N -1 0 348.468 3.670 20 0 EHADRM CS[C@H]1CCC[C@@H](NC(=O)Nc2c(C)sc(C)c2C(=O)[O-])C1 ZINC001599789367 987980651 /nfs/dbraw/zinc/98/06/51/987980651.db2.gz RUXWLKSLESDRMN-MNOVXSKESA-N -1 0 342.486 3.859 20 0 EHADRM CCc1ccc(-c2cc(C(=O)N[C@@H](C[C@@H](C)CC)C(=O)[O-])no2)cc1 ZINC001597489973 988015802 /nfs/dbraw/zinc/01/58/02/988015802.db2.gz WTAQJRQMKOOTQW-LRDDRELGSA-N -1 0 344.411 3.523 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)CCCCCc1ccc(F)cc1)C(=O)[O-] ZINC001589743040 988020043 /nfs/dbraw/zinc/02/00/43/988020043.db2.gz AWLALJONWSYQIH-MRXNPFEDSA-N -1 0 337.435 3.934 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)CCSc1cccc(Cl)c1)C(=O)[O-] ZINC001589743469 988027323 /nfs/dbraw/zinc/02/73/23/988027323.db2.gz OLMJKIZQISMEAJ-ZDUSSCGKSA-N -1 0 343.876 3.828 20 0 EHADRM CSCC1(Cc2noc(-c3cc(C(=O)[O-])ccc3Cl)n2)CC1 ZINC001599792480 988033798 /nfs/dbraw/zinc/03/37/98/988033798.db2.gz QTZLIDVRCAGCHL-UHFFFAOYSA-N -1 0 338.816 3.774 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2F)cc1 ZINC001597511511 988091062 /nfs/dbraw/zinc/09/10/62/988091062.db2.gz AAWAGEREMMMGMQ-GFCCVEGCSA-N -1 0 329.371 3.506 20 0 EHADRM CCc1ccc([C@H](C)C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])cc1 ZINC001597511806 988092694 /nfs/dbraw/zinc/09/26/94/988092694.db2.gz IQQRSWBWRXPGNG-KBXCAEBGSA-N -1 0 331.456 3.750 20 0 EHADRM CC(C)(C)C[C@H]1CCCN1C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001589764216 988098141 /nfs/dbraw/zinc/09/81/41/988098141.db2.gz BNOUYJXOVRIFPF-CQSZACIVSA-N -1 0 342.439 3.767 20 0 EHADRM CC(C)(C)CCC(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001589764773 988107658 /nfs/dbraw/zinc/10/76/58/988107658.db2.gz WNGFFQZIUDRRFF-UHFFFAOYSA-N -1 0 346.452 3.951 20 0 EHADRM CCc1ccc([C@H]2CCCCCN2C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)o1 ZINC001597516577 988129096 /nfs/dbraw/zinc/12/90/96/988129096.db2.gz DRSMLBQRLWXGOV-SQWLQELKSA-N -1 0 333.428 3.787 20 0 EHADRM CC(C)(C)CCCNC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC001589774100 988131567 /nfs/dbraw/zinc/13/15/67/988131567.db2.gz FOAIHMKNMRMRKA-UHFFFAOYSA-N -1 0 342.823 3.751 20 0 EHADRM CC(C)(C)Cc1ccccc1C(=O)Nc1cccc(C(=O)[O-])c1N ZINC001589788739 988171989 /nfs/dbraw/zinc/17/19/89/988171989.db2.gz CAZRUVOVOBSCFP-UHFFFAOYSA-N -1 0 326.396 3.808 20 0 EHADRM CC(C)(C)C[C@@H]1C[C@H]1NC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001589788751 988172016 /nfs/dbraw/zinc/17/20/16/988172016.db2.gz CPUVMHYKKRPNLG-IINYFYTJSA-N -1 0 329.400 3.812 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC001597530700 988188031 /nfs/dbraw/zinc/18/80/31/988188031.db2.gz KDSMFOBTCNANMF-MFKMUULPSA-N -1 0 338.835 3.792 20 0 EHADRM CCc1ccc(F)cc1C(=O)N1CCCc2ccc(C(=O)[O-])cc21 ZINC001597530804 988188811 /nfs/dbraw/zinc/18/88/11/988188811.db2.gz PJBPXTONDUYDHY-UHFFFAOYSA-N -1 0 327.355 3.679 20 0 EHADRM CSCCc1ccccc1NC(=O)NC1(CC(=O)[O-])CCCC1 ZINC001599802006 988192248 /nfs/dbraw/zinc/19/22/48/988192248.db2.gz PJLSQQWHYDMKOR-UHFFFAOYSA-N -1 0 336.457 3.501 20 0 EHADRM CSCc1ccc(NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC001599802847 988205367 /nfs/dbraw/zinc/20/53/67/988205367.db2.gz WSESUIQMWNNWEG-ZDUSSCGKSA-N -1 0 336.457 3.658 20 0 EHADRM CSCc1ccccc1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001599805236 988243788 /nfs/dbraw/zinc/24/37/88/988243788.db2.gz UYXXFFLBGMGHSX-UHFFFAOYSA-N -1 0 330.409 3.570 20 0 EHADRM CSCc1ccccc1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001599805239 988243842 /nfs/dbraw/zinc/24/38/42/988243842.db2.gz VARARXHJNQXOKJ-UHFFFAOYSA-N -1 0 330.409 3.570 20 0 EHADRM CSc1c(F)cccc1C(=O)N[C@@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC001599806201 988260422 /nfs/dbraw/zinc/26/04/22/988260422.db2.gz PMPWVXCPBCWIOF-OAHLLOKOSA-N -1 0 347.411 3.720 20 0 EHADRM CSc1c(F)cc(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)cc1F ZINC001599806389 988262728 /nfs/dbraw/zinc/26/27/28/988262728.db2.gz TZMZFWGLSMOBHL-UHFFFAOYSA-N -1 0 341.379 3.660 20 0 EHADRM CSc1c(F)cc(NC(=O)/C=C/c2cc(C(=O)[O-])co2)cc1F ZINC001599806418 988263529 /nfs/dbraw/zinc/26/35/29/988263529.db2.gz VDOYOGOKWLPSGL-NSCUHMNNSA-N -1 0 339.319 3.630 20 0 EHADRM CCc1ccc(NC(=O)c2ccccc2CCC(=O)[O-])cc1OC ZINC001597550947 988270226 /nfs/dbraw/zinc/27/02/26/988270226.db2.gz QOGWAFSTAQUEOQ-UHFFFAOYSA-N -1 0 327.380 3.527 20 0 EHADRM CSc1cc(F)ccc1NC(=O)c1ccccc1CCC(=O)[O-] ZINC001599808831 988299099 /nfs/dbraw/zinc/29/90/99/988299099.db2.gz NCDJGTPOXBCIBE-UHFFFAOYSA-N -1 0 333.384 3.817 20 0 EHADRM CCc1ccc2occ(C(=O)N[C@@H](C(=O)[O-])C3CCCCC3)c2c1 ZINC001597570537 988346842 /nfs/dbraw/zinc/34/68/42/988346842.db2.gz NZEJPBNGRXYYEO-QGZVFWFLSA-N -1 0 329.396 3.759 20 0 EHADRM CCc1cccc(CC)c1NC(=S)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001597585166 988393350 /nfs/dbraw/zinc/39/33/50/988393350.db2.gz LADYJQAWUXNBRT-OAHLLOKOSA-N -1 0 334.485 3.599 20 0 EHADRM CSc1ccc(NC(=O)CCNc2ccccc2)cc1C(=O)[O-] ZINC001599815293 988413018 /nfs/dbraw/zinc/41/30/18/988413018.db2.gz DJOAFCTUEVQQNB-UHFFFAOYSA-N -1 0 330.409 3.547 20 0 EHADRM CCc1cccc(NC(=O)N[C@H](C)c2ccc(OCC(=O)[O-])cc2)c1 ZINC001597595632 988442984 /nfs/dbraw/zinc/44/29/84/988442984.db2.gz VIKZTKIHKXZFLI-CYBMUJFWSA-N -1 0 342.395 3.595 20 0 EHADRM CCc1cccc(NC(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1 ZINC001597595634 988443133 /nfs/dbraw/zinc/44/31/33/988443133.db2.gz VJYIMHDKAJGCPS-MSOLQXFVSA-N -1 0 338.407 3.581 20 0 EHADRM CSc1ccc(NC(=O)N(C)Cc2ccoc2C)cc1C(=O)[O-] ZINC001599817825 988457118 /nfs/dbraw/zinc/45/71/18/988457118.db2.gz WROHLDSSSIOCET-UHFFFAOYSA-N -1 0 334.397 3.672 20 0 EHADRM CSc1ccc(NC(=O)NC[C@@H]2C[C@H]2C2CCC2)cc1C(=O)[O-] ZINC001599819141 988481793 /nfs/dbraw/zinc/48/17/93/988481793.db2.gz QRGCSLXCYLMBNM-AAEUAGOBSA-N -1 0 334.441 3.664 20 0 EHADRM CCc1ccccc1CCOc1ccc(/C=C\C(=O)[O-])cc1OC ZINC001597609922 988501966 /nfs/dbraw/zinc/50/19/66/988501966.db2.gz XXTWKIFUHQWJIC-LUAWRHEFSA-N -1 0 326.392 3.977 20 0 EHADRM CSc1ccc(O[C@@H](C)C(=O)OCc2ccccc2C(=O)[O-])cc1 ZINC001599820371 988502459 /nfs/dbraw/zinc/50/24/59/988502459.db2.gz WIUDQMUVBUGFEO-LBPRGKRZSA-N -1 0 346.404 3.617 20 0 EHADRM CSc1ccc(NC(=O)c2oc(C(=O)[O-])cc2C)cc1Cl ZINC001599820570 988506773 /nfs/dbraw/zinc/50/67/73/988506773.db2.gz BUKZNXYJTYBBQG-UHFFFAOYSA-N -1 0 325.773 3.914 20 0 EHADRM CSc1cccc(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)n1 ZINC001599821435 988520748 /nfs/dbraw/zinc/52/07/48/988520748.db2.gz BJITUXDAUNJCNQ-UHFFFAOYSA-N -1 0 340.763 3.547 20 0 EHADRM CSc1cccc(C(=O)Nc2cc(F)cc(Cl)c2C(=O)[O-])n1 ZINC001599821645 988524189 /nfs/dbraw/zinc/52/41/89/988524189.db2.gz GQGNKOPBYUULFQ-UHFFFAOYSA-N -1 0 340.763 3.547 20 0 EHADRM CSc1cccc(F)c1C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001599823624 988557980 /nfs/dbraw/zinc/55/79/80/988557980.db2.gz FJSSEUCCKICUJS-UHFFFAOYSA-N -1 0 340.763 3.547 20 0 EHADRM CSc1ccccc1CN(C)Cc1cc(C(=O)[O-])c2n1CCCC2 ZINC001599823822 988561451 /nfs/dbraw/zinc/56/14/51/988561451.db2.gz GLEGJVHDAOUAAP-UHFFFAOYSA-N -1 0 344.480 3.877 20 0 EHADRM CCc1ccsc1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O ZINC001597625712 988573882 /nfs/dbraw/zinc/57/38/82/988573882.db2.gz DXUDCNNAPLBFKT-UHFFFAOYSA-N -1 0 325.773 3.620 20 0 EHADRM CSc1cccc(NC(=O)[C@H](C)Sc2ncccc2C(=O)[O-])c1 ZINC001599824714 988578228 /nfs/dbraw/zinc/57/82/28/988578228.db2.gz LXBLZYIUKOOGPG-JTQLQIEISA-N -1 0 348.449 3.621 20 0 EHADRM CCc1cnc(CN2CCC[C@@H]2c2nc(C(=O)[O-])c(C)s2)s1 ZINC001597629078 988590577 /nfs/dbraw/zinc/59/05/77/988590577.db2.gz QJTGQPMJXLBINE-LLVKDONJSA-N -1 0 337.470 3.506 20 0 EHADRM CCc1cnc(CNCc2ccc(-c3ccccc3C(=O)[O-])o2)s1 ZINC001597631097 988595928 /nfs/dbraw/zinc/59/59/28/988595928.db2.gz MPOODNPQTCJJER-UHFFFAOYSA-N -1 0 342.420 3.954 20 0 EHADRM CCc1cncc(C(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)c1 ZINC001597632379 988603419 /nfs/dbraw/zinc/60/34/19/988603419.db2.gz UKICUPJGGAMEFU-QGZVFWFLSA-N -1 0 332.444 3.578 20 0 EHADRM CSc1ccccc1[C@H](C)NC(=O)c1cccc(CC(=O)[O-])c1 ZINC001599826449 988605446 /nfs/dbraw/zinc/60/54/46/988605446.db2.gz PJLMMDINQDFJQE-LBPRGKRZSA-N -1 0 329.421 3.527 20 0 EHADRM C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC001599831362 988680669 /nfs/dbraw/zinc/68/06/69/988680669.db2.gz IMPWCLZYHITTGP-VIFPVBQESA-N -1 0 341.285 3.511 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 ZINC001599832564 988695602 /nfs/dbraw/zinc/69/56/02/988695602.db2.gz HVVHZGICZDBXPU-VIFPVBQESA-N -1 0 335.429 3.579 20 0 EHADRM CCc1nc(C)c(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)s1 ZINC001597657243 988717177 /nfs/dbraw/zinc/71/71/77/988717177.db2.gz HDEXMBJBSUNCOI-UHFFFAOYSA-N -1 0 342.779 3.757 20 0 EHADRM O=C(Nc1nnc(-c2ccsc2)s1)c1c([O-])cccc1Cl ZINC000728212737 1015417288 /nfs/dbraw/zinc/41/72/88/1015417288.db2.gz BKNWFFCJRYXRQL-UHFFFAOYSA-N -1 0 337.813 3.878 20 0 EHADRM C[C@@H](NC(=O)NCc1ccc(C(=O)[O-])s1)c1cccc(Cl)c1 ZINC001599840395 988817420 /nfs/dbraw/zinc/81/74/20/988817420.db2.gz RYVVDZPZNXOXEA-SECBINFHSA-N -1 0 338.816 3.660 20 0 EHADRM CCc1nc(NC(=O)c2cccc(C(F)F)c2)sc1C(=O)[O-] ZINC001597685636 988840030 /nfs/dbraw/zinc/84/00/30/988840030.db2.gz YIPMBHCEWQVIDZ-UHFFFAOYSA-N -1 0 326.324 3.594 20 0 EHADRM CCc1nc(S[C@@H](C(=O)[O-])c2ccccc2Cl)[nH]c(=O)c1C ZINC001597689424 988859920 /nfs/dbraw/zinc/85/99/20/988859920.db2.gz KCVMBIAJJMDWPW-GFCCVEGCSA-N -1 0 338.816 3.624 20 0 EHADRM CCc1ncc(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])s1 ZINC001597697122 988904039 /nfs/dbraw/zinc/90/40/39/988904039.db2.gz JHDCGMDBXOGZGO-UHFFFAOYSA-N -1 0 344.314 3.675 20 0 EHADRM CCc1ncc(C(=O)O[C@H]2CCCc3cc(C(=O)[O-])ccc32)s1 ZINC001597697300 988906354 /nfs/dbraw/zinc/90/63/54/988906354.db2.gz VYKYQOUHIABWHX-ZDUSSCGKSA-N -1 0 331.393 3.638 20 0 EHADRM C[C@@H](OC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)c1ccc2c(c1)CCCC2 ZINC001599845615 988925895 /nfs/dbraw/zinc/92/58/95/988925895.db2.gz LLHOGJVMUICVNW-JEBQAFNWSA-N -1 0 346.423 3.582 20 0 EHADRM CCc1ncsc1C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001597711233 988970828 /nfs/dbraw/zinc/97/08/28/988970828.db2.gz ZELMNBDRNPCXLD-UHFFFAOYSA-N -1 0 326.377 3.809 20 0 EHADRM CCc1nnc(C)cc1C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC001597729591 989038744 /nfs/dbraw/zinc/03/87/44/989038744.db2.gz JZVWJPNUMZMILT-UHFFFAOYSA-N -1 0 347.440 3.657 20 0 EHADRM CCc1oc(CNc2ccccc2-n2ccc(C)n2)cc1C(=O)[O-] ZINC001597805176 989410644 /nfs/dbraw/zinc/41/06/44/989410644.db2.gz WEGAPLBKPKZVDX-UHFFFAOYSA-N -1 0 325.368 3.646 20 0 EHADRM CCc1oc2ccccc2c1C(=O)N1C[C@H](C(=O)[O-])Cc2ccccc21 ZINC001597807979 989422600 /nfs/dbraw/zinc/42/26/00/989422600.db2.gz OPSGMGBUUQHQLA-CQSZACIVSA-N -1 0 349.386 3.899 20 0 EHADRM CCn1cnc(Cl)c1CN[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001597916425 989835432 /nfs/dbraw/zinc/83/54/32/989835432.db2.gz HDBPQURFDRRTDZ-INIZCTEOSA-N -1 0 343.814 3.625 20 0 EHADRM CC(C)(C)O[C@@H](C(=O)NCC1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC001590369464 989856218 /nfs/dbraw/zinc/85/62/18/989856218.db2.gz LEEVSWXTOUTOJI-MRXNPFEDSA-N -1 0 347.455 3.694 20 0 EHADRM CC(C)(C)OCc1ccc(NC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])cc1 ZINC001590396191 989921240 /nfs/dbraw/zinc/92/12/40/989921240.db2.gz OJUYNPAOGJDLLM-GOEBONIOSA-N -1 0 348.443 3.767 20 0 EHADRM CC(C)(C)[C@H](Nc1cnc2cc(Cl)c(Cl)cc2n1)C(=O)[O-] ZINC001590451768 990015446 /nfs/dbraw/zinc/01/54/46/990015446.db2.gz QJERFQGODAOEHQ-GFCCVEGCSA-N -1 0 328.199 3.848 20 0 EHADRM CC(C)(C)c1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2F)cc1 ZINC001590475072 990048392 /nfs/dbraw/zinc/04/83/92/990048392.db2.gz GDTAIGKUWXKNOH-UHFFFAOYSA-N -1 0 329.371 3.751 20 0 EHADRM CC(C)(C)c1ccc(CCC(=O)N(C2CC2)C2(C(=O)[O-])CCC2)cc1 ZINC001590485016 990082450 /nfs/dbraw/zinc/08/24/50/990082450.db2.gz MFKKPVHLAIPYTF-UHFFFAOYSA-N -1 0 343.467 3.915 20 0 EHADRM CC(C)(C)c1ccc(OCC(=O)O[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC001590493521 990096786 /nfs/dbraw/zinc/09/67/86/990096786.db2.gz MQYLLBJOGZTRBF-SFHVURJKSA-N -1 0 342.391 3.732 20 0 EHADRM CC(C)(C)c1ccc(OCC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001590493994 990099063 /nfs/dbraw/zinc/09/90/63/990099063.db2.gz SWVRUPNEBNKAEJ-GOSISDBHSA-N -1 0 347.455 3.513 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCN(C(=O)c1cccc(C(=O)[O-])c1)C2 ZINC001590500291 990114941 /nfs/dbraw/zinc/11/49/41/990114941.db2.gz GGLYAOCNDTYIHQ-UHFFFAOYSA-N -1 0 337.419 3.881 20 0 EHADRM CC(C)(C)c1csc(/C(=C/c2cnn3ccccc23)C(=O)[O-])n1 ZINC001590527327 990142510 /nfs/dbraw/zinc/14/25/10/990142510.db2.gz YTHXCVYVJGSSID-WQLSENKSSA-N -1 0 327.409 3.714 20 0 EHADRM CC(C)(C)c1csc(CNc2nc(Cl)c(C(=O)[O-])s2)n1 ZINC001590533535 990147116 /nfs/dbraw/zinc/14/71/16/990147116.db2.gz XIXVMGWBDMKPCI-UHFFFAOYSA-N -1 0 331.850 3.861 20 0 EHADRM CN(C(=O)/C=C/c1ccc(C(=O)[O-])o1)c1cc(Cl)cc(Cl)c1 ZINC001598006630 990160745 /nfs/dbraw/zinc/16/07/45/990160745.db2.gz PSYFDLNPWCRWPW-HWKANZROSA-N -1 0 340.162 3.961 20 0 EHADRM CN(C(=O)CC1CC(C)(C)C1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598007661 990167836 /nfs/dbraw/zinc/16/78/36/990167836.db2.gz LMCFERMGYIIZIC-HNNXBMFYSA-N -1 0 343.345 3.514 20 0 EHADRM CN(C(=O)CCC(C)(C)c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001598010542 990176202 /nfs/dbraw/zinc/17/62/02/990176202.db2.gz IZJMMMWHGUMJHL-UHFFFAOYSA-N -1 0 332.425 3.562 20 0 EHADRM CN(C(=O)CCCc1ccccc1Cl)C1(C(=O)[O-])CCCCC1 ZINC001598012994 990188997 /nfs/dbraw/zinc/18/89/97/990188997.db2.gz SEVQDUYUURLYSK-UHFFFAOYSA-N -1 0 337.847 3.909 20 0 EHADRM CC(C)(C)c1ncc(/C=C\C(=O)OCc2ccc(C(=O)[O-])cc2)s1 ZINC001590556558 990197807 /nfs/dbraw/zinc/19/78/07/990197807.db2.gz VGDGDWPGGYCIAM-HJWRWDBZSA-N -1 0 345.420 3.895 20 0 EHADRM CN(C(=O)CCc1ccc(Cl)c(F)c1)[C@H](C(=O)[O-])c1ccccc1 ZINC001598018195 990198894 /nfs/dbraw/zinc/19/88/94/990198894.db2.gz FZOWBJRTEMVYQD-KRWDZBQOSA-N -1 0 349.789 3.696 20 0 EHADRM CN(C(=O)CCc1ccccc1C(=O)[O-])c1ccc(Cl)cc1F ZINC001598018302 990200831 /nfs/dbraw/zinc/20/08/31/990200831.db2.gz KGARFBTYLOFTRT-UHFFFAOYSA-N -1 0 335.762 3.773 20 0 EHADRM CC(C)(CCNC(=O)Nc1cc(C(=O)[O-])cc2cccnc21)C1CC1 ZINC001590679395 990390359 /nfs/dbraw/zinc/39/03/59/990390359.db2.gz AVVBYIAZVWJUHQ-UHFFFAOYSA-N -1 0 341.411 3.881 20 0 EHADRM CN(C(=O)c1ccc(Cl)c2occc21)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598085590 990414857 /nfs/dbraw/zinc/41/48/57/990414857.db2.gz LKLMKNZKUYYJTA-OAHLLOKOSA-N -1 0 343.766 3.984 20 0 EHADRM CC(C)(CNC(=O)C1(C(=O)[O-])CC2(CCC2)C1)c1ccccc1Cl ZINC001590706201 990449230 /nfs/dbraw/zinc/44/92/30/990449230.db2.gz IEAZCFBVKSQUFE-UHFFFAOYSA-N -1 0 349.858 3.769 20 0 EHADRM CC(C)(CNC(=O)c1ccccc1OC1CCCCC1)CC(=O)[O-] ZINC001590757719 990557996 /nfs/dbraw/zinc/55/79/96/990557996.db2.gz ZQPLGOUGIVKKMT-UHFFFAOYSA-N -1 0 333.428 3.629 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)c1[nH]c2ccccc2c1Cl ZINC000073838129 1015572862 /nfs/dbraw/zinc/57/28/62/1015572862.db2.gz XCXWOPXDLQCTQQ-UHFFFAOYSA-N -1 0 328.821 3.644 20 0 EHADRM CC(C)(CSc1nc(C(F)(F)F)nc2ccccc21)C(=O)[O-] ZINC001590820485 990656227 /nfs/dbraw/zinc/65/62/27/990656227.db2.gz QSNIFCLKRWYODF-UHFFFAOYSA-N -1 0 330.331 3.852 20 0 EHADRM CC(C)(Cc1ccccc1)c1noc([C@H]2CCC[C@@H](C(=O)[O-])C2)n1 ZINC001590827041 990671911 /nfs/dbraw/zinc/67/19/11/990671911.db2.gz LJRKYCOSKFSSEJ-LSDHHAIUSA-N -1 0 328.412 3.948 20 0 EHADRM CC(C)(NCc1nc(C2CCCCC2)cs1)c1nocc1C(=O)[O-] ZINC001590875313 990787964 /nfs/dbraw/zinc/78/79/64/990787964.db2.gz WHAKVVOXMPVQFY-UHFFFAOYSA-N -1 0 349.456 3.902 20 0 EHADRM CC(C)(c1noc([C@H]2CCC[C@H](C(=O)[O-])C2)n1)c1cccc(F)c1 ZINC001590908517 990876261 /nfs/dbraw/zinc/87/62/61/990876261.db2.gz FVAOSRNUCMNEMI-RYUDHWBXSA-N -1 0 332.375 3.893 20 0 EHADRM CC(C)(c1ccc(NC(=O)NC2(CC(=O)[O-])CC2)cc1)C(F)(F)F ZINC001590908613 990876733 /nfs/dbraw/zinc/87/67/33/990876733.db2.gz KSEPJZJKRPSZII-UHFFFAOYSA-N -1 0 344.333 3.655 20 0 EHADRM CC(C)=C(C)CC(=O)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001590912655 990889211 /nfs/dbraw/zinc/88/92/11/990889211.db2.gz NDUDJJWUFOLZRP-CQSZACIVSA-N -1 0 329.318 3.694 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)Nc2cccnc2SCCC(=O)[O-])C1(C)C ZINC001590914228 990897164 /nfs/dbraw/zinc/89/71/64/990897164.db2.gz CLTLUDKCIVLIRU-IUODEOHRSA-N -1 0 348.468 3.825 20 0 EHADRM CC(C)C(=O)c1ccc(NC(=O)NCCCCCCC(=O)[O-])cc1 ZINC001590949353 991006779 /nfs/dbraw/zinc/00/67/79/991006779.db2.gz PNMLPDUGOZABHQ-UHFFFAOYSA-N -1 0 334.416 3.682 20 0 EHADRM CC(C)[C@H](C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)c1ccccc1 ZINC001590952962 991018001 /nfs/dbraw/zinc/01/80/01/991018001.db2.gz MSBRJSWKEJNKGK-FUHIMQAGSA-N -1 0 329.440 3.530 20 0 EHADRM CC(C)[C@@H](C(=O)OCc1ccc(C(=O)[O-])cn1)c1cccc(Cl)c1 ZINC001590960384 991051782 /nfs/dbraw/zinc/05/17/82/991051782.db2.gz CLFGVASEEOJHGG-MRXNPFEDSA-N -1 0 347.798 3.916 20 0 EHADRM CC(C)[C@H](C(=O)OCC(=O)c1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001590961412 991058021 /nfs/dbraw/zinc/05/80/21/991058021.db2.gz QDFPLKJNBFFFIH-SFHVURJKSA-N -1 0 340.375 3.551 20 0 EHADRM CN(C)Cc1cnc(CNc2cccc3cc(C(=O)[O-])sc32)s1 ZINC001598255779 991062465 /nfs/dbraw/zinc/06/24/65/991062465.db2.gz JUDIOQWNDVRBBF-UHFFFAOYSA-N -1 0 347.465 3.730 20 0 EHADRM CC(C)C(C)(C)CNC(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001590963439 991065596 /nfs/dbraw/zinc/06/55/96/991065596.db2.gz HALDVXXDLNKYIY-UHFFFAOYSA-N -1 0 329.400 3.737 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001590967796 991086435 /nfs/dbraw/zinc/08/64/35/991086435.db2.gz IBLVHVQNKUWWRP-DKLJTFSYSA-N -1 0 343.467 3.507 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)NC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001590968361 991089755 /nfs/dbraw/zinc/08/97/55/991089755.db2.gz QJNQPPGUPDHUND-LJQANCHMSA-N -1 0 341.411 3.559 20 0 EHADRM COc1cccc2cc(C(=O)Nc3c(C)csc3C(=O)[O-])oc21 ZINC001599693678 991113072 /nfs/dbraw/zinc/11/30/72/991113072.db2.gz ZVRKLOINCGOVCB-UHFFFAOYSA-N -1 0 331.349 3.762 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)O[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001599696754 991159795 /nfs/dbraw/zinc/15/97/95/991159795.db2.gz ARAPWMMCRJZLKX-NEPJUHHUSA-N -1 0 332.352 3.784 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)NCC1(C2CCC2)CCC1 ZINC001598298692 991235064 /nfs/dbraw/zinc/23/50/64/991235064.db2.gz PXGRFUMMTNTUKM-UHFFFAOYSA-N -1 0 345.443 3.543 20 0 EHADRM CC(C)[C@@H](NC(=O)/C=C\c1cc(C(=O)[O-])co1)c1ccc(F)cc1 ZINC001591001797 991260207 /nfs/dbraw/zinc/26/02/07/991260207.db2.gz YEJKXBIZYGOHKF-ZPUOCTKUSA-N -1 0 331.343 3.644 20 0 EHADRM COc1ccccc1CC(C)(C)C(=O)O[C@H](C)c1cc(C(=O)[O-])co1 ZINC001599704001 991264849 /nfs/dbraw/zinc/26/48/49/991264849.db2.gz NJVRQJBCBAZLRU-GFCCVEGCSA-N -1 0 346.379 3.860 20 0 EHADRM COc1ccccc1CC(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC001599704398 991270658 /nfs/dbraw/zinc/27/06/58/991270658.db2.gz XJQKPYAMUPRDBQ-UHFFFAOYSA-N -1 0 327.380 3.698 20 0 EHADRM CC(C)C(NC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21)C(C)C ZINC001591013332 991282808 /nfs/dbraw/zinc/28/28/08/991282808.db2.gz MQQHVXRXWFFGRH-MRXNPFEDSA-N -1 0 346.471 3.785 20 0 EHADRM CC(C)[C@H](NC(=O)c1c[nH]c(C(=O)[O-])c1)c1ccc(Cl)cc1F ZINC001591018654 991298322 /nfs/dbraw/zinc/29/83/22/991298322.db2.gz GLWXGPDKSGVLSE-AWEZNQCLSA-N -1 0 338.766 3.633 20 0 EHADRM CC(C)[C@H](NC(=O)c1ccccc1CCC(=O)[O-])c1ccc(F)cc1 ZINC001591019702 991305980 /nfs/dbraw/zinc/30/59/80/991305980.db2.gz STIIIFUTBRBJIW-IBGZPJMESA-N -1 0 343.398 3.970 20 0 EHADRM COc1ccccc1C[C@@H](CNC(=O)C[C@H](C)CC(C)(C)C)C(=O)[O-] ZINC001599707165 991311013 /nfs/dbraw/zinc/31/10/13/991311013.db2.gz SSTIQMGEVBZTRP-HOCLYGCPSA-N -1 0 349.471 3.517 20 0 EHADRM CN(C)c1ccc(OC(=O)c2cc3cccc(F)c3o2)cc1C(=O)[O-] ZINC001598328460 991350323 /nfs/dbraw/zinc/35/03/23/991350323.db2.gz NKPCJYKIXAVLPF-UHFFFAOYSA-N -1 0 343.310 3.555 20 0 EHADRM COc1ccccc1NC(=S)Nc1cccc(CCC(=O)[O-])c1 ZINC001599714044 991421050 /nfs/dbraw/zinc/42/10/50/991421050.db2.gz LUJSSOULAHRRLH-UHFFFAOYSA-N -1 0 330.409 3.521 20 0 EHADRM CC(C)[C@H]1C[C@@H](COC(=O)c2cc(C(=O)[O-])ccc2Cl)CCO1 ZINC001591076559 991559333 /nfs/dbraw/zinc/55/93/33/991559333.db2.gz PZNZDTOTJKSVBD-XHDPSFHLSA-N -1 0 340.803 3.646 20 0 EHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)C1 ZINC001591082523 991599372 /nfs/dbraw/zinc/59/93/72/991599372.db2.gz UNZPMHORFOZDAY-YLAKUSLOSA-N -1 0 329.440 3.576 20 0 EHADRM COc1cncc(/C=C\CCN2C[C@H](CC(=O)[O-])c3ccccc32)c1 ZINC001599726381 991633741 /nfs/dbraw/zinc/63/37/41/991633741.db2.gz JWMWLJSEZRNWNS-LEXSJLIMSA-N -1 0 338.407 3.572 20 0 EHADRM COc1cncc(/C=C\CCS[C@@H](C)c2nc(C(=O)[O-])co2)c1 ZINC001599726427 991633800 /nfs/dbraw/zinc/63/38/00/991633800.db2.gz MCOJVVYMXIZFJF-MZBZXASESA-N -1 0 334.397 3.674 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)[C@@H]1C(C)C ZINC001591092916 991651582 /nfs/dbraw/zinc/65/15/82/991651582.db2.gz HBMPLEOSGBYISH-WMLDXEAASA-N -1 0 336.407 3.597 20 0 EHADRM CC(C)[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cn2)c2ccccc21 ZINC001591093453 991659444 /nfs/dbraw/zinc/65/94/44/991659444.db2.gz VDJWAGUFQJMYSQ-CQSZACIVSA-N -1 0 325.368 3.572 20 0 EHADRM CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)CC(C)(C)CC(=O)[O-] ZINC001591094438 991672748 /nfs/dbraw/zinc/67/27/48/991672748.db2.gz LFZHZVXBOPGENY-BEFAXECRSA-N -1 0 331.456 3.953 20 0 EHADRM CN(CC(=O)Nc1ccc2ccccc2c1)Cc1ccc(C(=O)[O-])cc1 ZINC001598397722 991675396 /nfs/dbraw/zinc/67/53/96/991675396.db2.gz PKFWSUUGZPVJHM-UHFFFAOYSA-N -1 0 348.402 3.609 20 0 EHADRM CC(C)[C@@H]1N(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC12CC=CC2 ZINC001591099060 991707424 /nfs/dbraw/zinc/70/74/24/991707424.db2.gz JXTZEEKZPADTHR-MNNVXMFVSA-N -1 0 331.456 3.615 20 0 EHADRM CC(C)C[C@@H](C(=O)NCC1(CC(=O)[O-])CCCC1)c1ccccc1 ZINC001591117986 991779958 /nfs/dbraw/zinc/77/99/58/991779958.db2.gz JZXSLNZDNIHPID-QGZVFWFLSA-N -1 0 331.456 3.968 20 0 EHADRM CN(C[C@H]1CC=CCC1)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001598453123 991910703 /nfs/dbraw/zinc/91/07/03/991910703.db2.gz ATSJLUOQUNFRIY-AWEZNQCLSA-N -1 0 348.468 3.824 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cc1)c1c(F)cccc1Br ZINC000160923756 1120209754 /nfs/dbraw/zinc/20/97/54/1120209754.db2.gz ONTDJUZKAATUGO-UHFFFAOYSA-N -1 0 348.168 3.528 20 0 EHADRM CC(C)CC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cs1)C(C)(C)C ZINC001591221554 992086923 /nfs/dbraw/zinc/08/69/23/992086923.db2.gz LAFSYMVSODHDLR-LBPRGKRZSA-N -1 0 347.502 3.576 20 0 EHADRM CC(C)CCN(C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)C1CC1 ZINC001591239908 992129480 /nfs/dbraw/zinc/12/94/80/992129480.db2.gz HWVSBSXQBCKTNZ-DLBZAZTESA-N -1 0 330.428 3.917 20 0 EHADRM CC(C)CN(C(=O)c1cc2ccccc2cc1F)C(C)(C)C(=O)[O-] ZINC001591285200 992223789 /nfs/dbraw/zinc/22/37/89/992223789.db2.gz OWSXVKUWVQMLGH-UHFFFAOYSA-N -1 0 331.387 3.940 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC001591291236 992242198 /nfs/dbraw/zinc/24/21/98/992242198.db2.gz VYNFAWTUHANDQR-STQMWFEESA-N -1 0 344.238 3.666 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C/C=C\Cc1ccccc1 ZINC001591308877 992263096 /nfs/dbraw/zinc/26/30/96/992263096.db2.gz DDGWDBVLNYQGAS-HJWRWDBZSA-N -1 0 331.456 3.771 20 0 EHADRM Cc1nc(NC(=O)c2cncc(O)c2)sc1Cc1cccc(C)c1 ZINC000339815677 1015699239 /nfs/dbraw/zinc/69/92/39/1015699239.db2.gz ZEWMHFYZQVCVLQ-UHFFFAOYSA-N -1 0 339.420 3.704 20 0 EHADRM CC(C)CN(CCC(=O)[O-])c1cnc2cc(Cl)c(Cl)cc2n1 ZINC001591339692 992317800 /nfs/dbraw/zinc/31/78/00/992317800.db2.gz UJIWEDABXLPJMI-UHFFFAOYSA-N -1 0 342.226 3.874 20 0 EHADRM CC(C)CN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001591344338 992330472 /nfs/dbraw/zinc/33/04/72/992330472.db2.gz XWMWRXLFTBEEAM-LSDHHAIUSA-N -1 0 337.847 3.826 20 0 EHADRM CS[C@@H](C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC001599780312 992356143 /nfs/dbraw/zinc/35/61/43/992356143.db2.gz HVMNXJCKONMSQO-IXDOHACOSA-N -1 0 341.432 3.520 20 0 EHADRM CN(CCOc1ccc(/C=C\C(=O)[O-])cc1)c1c(F)cccc1F ZINC001598498793 992400507 /nfs/dbraw/zinc/40/05/07/992400507.db2.gz PENQNXIONCBPDV-YFHOEESVSA-N -1 0 333.334 3.578 20 0 EHADRM Cc1ccc(Cc2n[n-]c(=NC(=O)N3C[C@H](C)CC[C@@H]3C)s2)cc1 ZINC000510139467 1015706314 /nfs/dbraw/zinc/70/63/14/1015706314.db2.gz JWWRQLAPGGUKTP-KGLIPLIRSA-N -1 0 344.484 3.512 20 0 EHADRM Cc1ccc(Cc2n[n-]c(=NC(=O)N3CCC[C@@H](C)[C@H]3C)s2)cc1 ZINC000510140567 1015708520 /nfs/dbraw/zinc/70/85/20/1015708520.db2.gz SNDXPTIOEIJAMR-ZIAGYGMSSA-N -1 0 344.484 3.512 20 0 EHADRM CC(C)COc1ccc(NC(=O)c2c[nH]c(C(=O)[O-])c2)cc1Cl ZINC001591401792 992477328 /nfs/dbraw/zinc/47/73/28/992477328.db2.gz ZJVWMHZGDGXOEZ-UHFFFAOYSA-N -1 0 336.775 3.653 20 0 EHADRM CN(Cc1cc(C(=O)[O-])co1)Cc1ccc(F)cc1Br ZINC001598507516 992524545 /nfs/dbraw/zinc/52/45/45/992524545.db2.gz VEFKIXGHNMOBSA-UHFFFAOYSA-N -1 0 342.164 3.511 20 0 EHADRM CN(Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1)Cc1ccns1 ZINC001598508865 992541446 /nfs/dbraw/zinc/54/14/46/992541446.db2.gz IGOMCJIVJFXNJV-UHFFFAOYSA-N -1 0 328.393 3.733 20 0 EHADRM CC(C)Cc1ccc(C(=O)COC(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC001591477435 992598189 /nfs/dbraw/zinc/59/81/89/992598189.db2.gz REHLWBRUYDVWNW-UHFFFAOYSA-N -1 0 340.375 3.623 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)N2CCCC[C@@H]2CC(=O)[O-])cc1 ZINC001591489195 992618768 /nfs/dbraw/zinc/61/87/68/992618768.db2.gz NVESQERLEJRVPV-MAUKXSAKSA-N -1 0 331.456 3.844 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)cc1 ZINC001591489430 992620686 /nfs/dbraw/zinc/62/06/86/992620686.db2.gz ROAVXVSVRNCKOJ-YOEHRIQHSA-N -1 0 333.472 3.994 20 0 EHADRM CC(C)Cc1nc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)cs1 ZINC001591490565 992622454 /nfs/dbraw/zinc/62/24/54/992622454.db2.gz AQRSYWOWFIMLRP-UHFFFAOYSA-N -1 0 340.351 3.570 20 0 EHADRM CC(C)Cc1ccccc1C[N@@H+]1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001591490905 992625270 /nfs/dbraw/zinc/62/52/70/992625270.db2.gz NGLKYIHGZSKLBE-UHFFFAOYSA-N -1 0 339.435 3.978 20 0 EHADRM CC(C)Cc1ccccc1C[S@@](=O)[C@H](C)c1nc(C(=O)[O-])co1 ZINC001591490970 992626238 /nfs/dbraw/zinc/62/62/38/992626238.db2.gz QACVREFIDQCDLY-SFDCACGMSA-N -1 0 335.425 3.581 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)NC3CC(CC(=O)[O-])C3)ccc21 ZINC001591521407 992690452 /nfs/dbraw/zinc/69/04/52/992690452.db2.gz IPJLVSRNCRCJTH-UHFFFAOYSA-N -1 0 343.427 3.672 20 0 EHADRM CN(Cc1ccc(OCC(=O)[O-])cc1)Cc1cccc(F)c1Cl ZINC001598523730 992692703 /nfs/dbraw/zinc/69/27/03/992692703.db2.gz GRGOTDJEANXKQA-UHFFFAOYSA-N -1 0 337.778 3.575 20 0 EHADRM CN(Cc1ccc2cc[nH]c2c1)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001598524664 992703912 /nfs/dbraw/zinc/70/39/12/992703912.db2.gz OVTZIHJQWRRZIR-UHFFFAOYSA-N -1 0 342.782 3.792 20 0 EHADRM CC(C)Cn1ncc(N[C@H](C)c2cc(C(=O)[O-])co2)c1C(F)F ZINC001591534084 992714288 /nfs/dbraw/zinc/71/42/88/992714288.db2.gz VZLJHVZEJRBIEH-SECBINFHSA-N -1 0 327.331 3.941 20 0 EHADRM CC(C)N(C(=O)c1ccc(OCC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001591542713 992723063 /nfs/dbraw/zinc/72/30/63/992723063.db2.gz PLIHIVFQIPUHDQ-UHFFFAOYSA-N -1 0 347.798 3.859 20 0 EHADRM O=C([O-])CCN(C(=O)CC1CCC(c2ccccc2)CC1)C1CC1 ZINC000238031563 1015776536 /nfs/dbraw/zinc/77/65/36/1015776536.db2.gz BLPCPWQEMSUQIP-UHFFFAOYSA-N -1 0 329.440 3.816 20 0 EHADRM C[C@H](NC(=O)NCCCCC1(C(=O)[O-])CCC1)[C@@]12C[C@@H]1CCCC2 ZINC001593088527 993701612 /nfs/dbraw/zinc/70/16/12/993701612.db2.gz JIXQLSVCLDIJTD-YZVOILCLSA-N -1 0 336.476 3.680 20 0 EHADRM COc1ccc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)c(C(=O)[O-])c1 ZINC001599594236 993728376 /nfs/dbraw/zinc/72/83/76/993728376.db2.gz XYODSAJQHVEZMF-UHFFFAOYSA-N -1 0 344.754 3.780 20 0 EHADRM COc1ccc(NC(=O)c2nsc3ccc(C)cc32)c(C(=O)[O-])c1 ZINC001599596731 993758223 /nfs/dbraw/zinc/75/82/23/993758223.db2.gz SJCYUIYYAJVZGI-UHFFFAOYSA-N -1 0 342.376 3.564 20 0 EHADRM C[C@@H](NC(=O)Nc1cc(C(=O)[O-])cc2cccnc21)c1ccccc1 ZINC001593110116 993779995 /nfs/dbraw/zinc/77/99/95/993779995.db2.gz VKINUDGWRWFJON-GFCCVEGCSA-N -1 0 335.363 3.816 20 0 EHADRM COc1ccc(OC(=O)/C=C/c2ccc(C(=O)[O-])o2)c(C(C)(C)C)c1 ZINC001599599915 993801499 /nfs/dbraw/zinc/80/14/99/993801499.db2.gz WIVLCMLRTZGCMT-JXMROGBWSA-N -1 0 344.363 3.903 20 0 EHADRM C[C@@H](NC(=O)Nc1cncc(C(=O)[O-])c1)c1cccc2ccccc21 ZINC001593123760 993845091 /nfs/dbraw/zinc/84/50/91/993845091.db2.gz LNKBAIATWBSRQO-GFCCVEGCSA-N -1 0 335.363 3.816 20 0 EHADRM C[C@@H](NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccccc1Oc1ccccc1 ZINC001593139849 993917539 /nfs/dbraw/zinc/91/75/39/993917539.db2.gz AOOFZRVXVYRGEE-KFWWJZLASA-N -1 0 339.391 3.767 20 0 EHADRM C[C@@H](NC(=O)c1c[nH]c(C(=O)[O-])c1)C(c1ccccc1)c1ccccc1 ZINC001593146921 993947351 /nfs/dbraw/zinc/94/73/51/993947351.db2.gz UYNGOUVDCXIYDG-CQSZACIVSA-N -1 0 348.402 3.663 20 0 EHADRM C[C@](NC(=O)c1cc2c(cccc2C2CC2)[nH]1)(C(=O)[O-])c1ccccc1 ZINC001593154473 993962301 /nfs/dbraw/zinc/96/23/01/993962301.db2.gz DHJQSTSWPLMZNR-OAQYLSRUSA-N -1 0 348.402 3.775 20 0 EHADRM C[C@H](NC(=O)c1cccc(CC(=O)[O-])c1)c1cccc2ccccc21 ZINC001593175717 994048640 /nfs/dbraw/zinc/04/86/40/994048640.db2.gz XWTLRVQTLKGUHY-AWEZNQCLSA-N -1 0 333.387 3.958 20 0 EHADRM COc1ccc([C@H](C)OC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC001599621627 994091662 /nfs/dbraw/zinc/09/16/62/994091662.db2.gz OBLMJAUZIPHSIZ-JTQLQIEISA-N -1 0 334.755 3.965 20 0 EHADRM COc1ccc2[nH]cc(CCNc3ncc(C(=O)[O-])cc3Cl)c2c1 ZINC001599623255 994113012 /nfs/dbraw/zinc/11/30/12/994113012.db2.gz MNMNRFYROGOTPJ-UHFFFAOYSA-N -1 0 345.786 3.578 20 0 EHADRM C[C@@H](N[C@H](C(=O)[O-])c1cc(F)ccc1F)c1nccc2ccccc21 ZINC001593190830 994127784 /nfs/dbraw/zinc/12/77/84/994127784.db2.gz WVENOTBJPFPXAH-ZMZPIMSZSA-N -1 0 342.345 3.990 20 0 EHADRM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1nc(C(F)(F)F)cs1 ZINC001593194207 994131373 /nfs/dbraw/zinc/13/13/73/994131373.db2.gz BFLPZZKTZGCKAE-RDDDGLTNSA-N -1 0 348.321 3.778 20 0 EHADRM COc1ccc2c(c1)CCN2C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001599629144 994191664 /nfs/dbraw/zinc/19/16/64/994191664.db2.gz QNLIEWGLFQEPQH-UHFFFAOYSA-N -1 0 346.770 3.641 20 0 EHADRM C[C@@H](N[C@@H](C)c1nc(C(C)(C)C)cs1)c1cncc(C(=O)[O-])c1 ZINC001593204916 994209395 /nfs/dbraw/zinc/20/93/95/994209395.db2.gz XLEGPLTVNRIYKZ-MNOVXSKESA-N -1 0 333.457 3.946 20 0 EHADRM COc1ccc2c(c1)[C@H](NC(=O)Nc1cc(C(=O)[O-])cs1)CCC2 ZINC001599632032 994232986 /nfs/dbraw/zinc/23/29/86/994232986.db2.gz QXHIZIYBJANQNG-CQSZACIVSA-N -1 0 346.408 3.654 20 0 EHADRM COc1cccc(-c2csc(CN3CCCCC[C@H]3C(=O)[O-])n2)c1 ZINC001599638520 994324257 /nfs/dbraw/zinc/32/42/57/994324257.db2.gz BMHGEJHYQGTWIE-INIZCTEOSA-N -1 0 346.452 3.648 20 0 EHADRM COc1cccc(-n2ccnc2SCc2ccsc2C(=O)[O-])c1 ZINC001599641040 994359236 /nfs/dbraw/zinc/35/92/36/994359236.db2.gz QMLLHGWWQKYAOH-UHFFFAOYSA-N -1 0 346.433 3.933 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)/C(C)=C\c1ccc(C)cc1 ZINC001599644115 994401001 /nfs/dbraw/zinc/40/10/01/994401001.db2.gz FVOVCKCXHIDROW-OWBHPGMISA-N -1 0 339.391 3.768 20 0 EHADRM COc1cccc(C(=O)[O-])c1CSc1ncnc2ccccc21 ZINC001599645346 994417382 /nfs/dbraw/zinc/41/73/82/994417382.db2.gz SBMXOVHUHYRPDR-UHFFFAOYSA-N -1 0 326.377 3.629 20 0 EHADRM COc1cccc(C(=O)O[C@H]2CCCc3cc(C(=O)[O-])ccc32)c1 ZINC001599646409 994430674 /nfs/dbraw/zinc/43/06/74/994430674.db2.gz ZUKISKCEHZVEAL-KRWDZBQOSA-N -1 0 326.348 3.628 20 0 EHADRM COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)C[C@@H]2CCCCC2(C)C)c1 ZINC001599648203 994456801 /nfs/dbraw/zinc/45/68/01/994456801.db2.gz OYCOOVJFAFCVIH-YJBOKZPZSA-N -1 0 347.455 3.886 20 0 EHADRM COc1cccc([C@H](C(=O)[O-])N(C)Cc2ccsc2Cl)c1 ZINC001599651305 994506919 /nfs/dbraw/zinc/50/69/19/994506919.db2.gz WNVNAJHSHCUSIC-CYBMUJFWSA-N -1 0 325.817 3.668 20 0 EHADRM COc1cccc([C@@H](C(=O)[O-])N2CCc3sc(Cl)cc3C2)c1 ZINC001599651922 994518736 /nfs/dbraw/zinc/51/87/36/994518736.db2.gz ZPRYXZRFAJLLTC-HNNXBMFYSA-N -1 0 337.828 3.594 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])c1 ZINC001599655368 994570387 /nfs/dbraw/zinc/57/03/87/994570387.db2.gz ONDLGIHHVPEPLI-PBHICJAKSA-N -1 0 349.471 3.975 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)Nc2cc(C(=O)[O-])ccn2)c1 ZINC001599655718 994576463 /nfs/dbraw/zinc/57/64/63/994576463.db2.gz XZAZCINWTSVTJY-CYBMUJFWSA-N -1 0 342.395 3.701 20 0 EHADRM COc1cccc([C@H](C)N[C@H](C(=O)[O-])c2c(F)cccc2Cl)c1 ZINC001599656564 994590970 /nfs/dbraw/zinc/59/09/70/994590970.db2.gz GGIFADKIPKLEHZ-QFYYESIMSA-N -1 0 337.778 3.964 20 0 EHADRM COc1cccc([C@@H](C)c2noc(-c3ccc(C(=O)[O-])s3)n2)c1 ZINC001599659129 994628540 /nfs/dbraw/zinc/62/85/40/994628540.db2.gz YTNBKYORACHOGM-SECBINFHSA-N -1 0 330.365 3.657 20 0 EHADRM COc1cccc([C@@H](C)OC(=O)CCc2ccccc2C(=O)[O-])c1 ZINC001599659111 994628780 /nfs/dbraw/zinc/62/87/80/994628780.db2.gz YOQHPYQTXLBHOS-CYBMUJFWSA-N -1 0 328.364 3.630 20 0 EHADRM C[C@@H](NCc1cc(C(=O)[O-])ccc1F)c1nc(C(F)(F)F)cs1 ZINC001593288436 994656757 /nfs/dbraw/zinc/65/67/57/994656757.db2.gz JPGVQABOCMSGSD-SSDOTTSWSA-N -1 0 348.321 3.850 20 0 EHADRM C[C@@H](NCc1cc(F)ccc1OC(F)F)c1cc(C(=O)[O-])co1 ZINC001593293280 994682954 /nfs/dbraw/zinc/68/29/54/994682954.db2.gz SZHKJFHHNJTSKB-MRVPVSSYSA-N -1 0 329.274 3.569 20 0 EHADRM C[C@@H](NCc1cncc(C(=O)[O-])c1)c1nc(-c2ccccc2)cs1 ZINC001593311498 994783467 /nfs/dbraw/zinc/78/34/67/994783467.db2.gz RRGKFHJCILQZTP-GFCCVEGCSA-N -1 0 339.420 3.754 20 0 EHADRM C[C@](NCc1cscn1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593312539 994802082 /nfs/dbraw/zinc/80/20/82/994802082.db2.gz WHGSZUYHCKZCSS-CYBMUJFWSA-N -1 0 331.224 3.540 20 0 EHADRM CNc1ccc(C(F)(F)F)cc1C(=O)Nc1ccsc1C(=O)[O-] ZINC001598679806 994909082 /nfs/dbraw/zinc/90/90/82/994909082.db2.gz OHBKQBWLOQQOOE-UHFFFAOYSA-N -1 0 344.314 3.759 20 0 EHADRM CNc1ccc(Cl)c(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)c1 ZINC001598680171 994914774 /nfs/dbraw/zinc/91/47/74/994914774.db2.gz UTXFKTLJDVGRFF-NSHDSACASA-N -1 0 344.798 3.600 20 0 EHADRM COc1cccc(NC(=S)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC001599679848 994960886 /nfs/dbraw/zinc/96/08/86/994960886.db2.gz LNXOGXJSMXIYAB-UHFFFAOYSA-N -1 0 336.800 3.856 20 0 EHADRM CO/C(=C/c1ccccc1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001598684860 994990421 /nfs/dbraw/zinc/99/04/21/994990421.db2.gz POEOGJZBDRSROT-GHRIWEEISA-N -1 0 339.391 3.675 20 0 EHADRM COC(=O)[C@H](Sc1nc2ccccc2o1)c1cccc(C(=O)[O-])c1 ZINC001598709930 995335808 /nfs/dbraw/zinc/33/58/08/995335808.db2.gz CPTPTDWVRPLSLF-CQSZACIVSA-N -1 0 343.360 3.532 20 0 EHADRM COC(=O)[C@H](S[C@H](C)CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001598712392 995364174 /nfs/dbraw/zinc/36/41/74/995364174.db2.gz PJHBKRXFTGXUBL-PRHODGIISA-N -1 0 336.331 3.516 20 0 EHADRM C[C@@H](OC(=O)c1ccc(Cl)c(N)c1Cl)c1ccc(C(=O)[O-])o1 ZINC001593578421 995685522 /nfs/dbraw/zinc/68/55/22/995685522.db2.gz AGFVPUIRUYUIRP-ZCFIWIBFSA-N -1 0 344.150 3.785 20 0 EHADRM C[C@@H](OC(=O)c1ccc(Cl)nc1Cl)c1ccc(C(=O)[O-])o1 ZINC001593579337 995694474 /nfs/dbraw/zinc/69/44/74/995694474.db2.gz XUWMCADTAIJASY-ZCFIWIBFSA-N -1 0 330.123 3.598 20 0 EHADRM C[C@@H](OC(=O)c1cccc(-n2cccc2)c1)c1cc(C(=O)[O-])co1 ZINC001593586100 995706437 /nfs/dbraw/zinc/70/64/37/995706437.db2.gz OIWTZIMFPLODFU-GFCCVEGCSA-N -1 0 325.320 3.687 20 0 EHADRM C[C@@H](OC(=O)c1ccnc(C(=O)[O-])c1)c1ccc(C(C)(C)C)cc1 ZINC001593598111 995743230 /nfs/dbraw/zinc/74/32/30/995743230.db2.gz VLGJFRZSZNYUGK-GFCCVEGCSA-N -1 0 327.380 3.995 20 0 EHADRM C[C@H](OC(=O)c1sccc1Br)c1ccc(C(=O)[O-])o1 ZINC001593601055 995753969 /nfs/dbraw/zinc/75/39/69/995753969.db2.gz FGKKDCFWQIRZHF-LURJTMIESA-N -1 0 345.170 3.720 20 0 EHADRM C[C@@H](OC(=O)c1sccc1OC(F)F)c1cc(C(=O)[O-])co1 ZINC001593603534 995770684 /nfs/dbraw/zinc/77/06/84/995770684.db2.gz WMTINRIMWLLJPV-ZCFIWIBFSA-N -1 0 332.280 3.559 20 0 EHADRM C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC001593635703 995933519 /nfs/dbraw/zinc/93/35/19/995933519.db2.gz XRFJAWMILUEZJX-NWDGAFQWSA-N -1 0 344.363 3.538 20 0 EHADRM CC(C)c1cccc(O[C@H](C)C(=O)OCc2ccc(C(=O)[O-])o2)c1 ZINC001593636142 995936112 /nfs/dbraw/zinc/93/61/12/995936112.db2.gz JLHSUQQSVWKYFN-GFCCVEGCSA-N -1 0 332.352 3.612 20 0 EHADRM C[C@@H](Oc1ccccc1CN1CCCc2c(F)cccc21)C(=O)[O-] ZINC001593645319 995972514 /nfs/dbraw/zinc/97/25/14/995972514.db2.gz IYRRBOGBFVRWJX-CYBMUJFWSA-N -1 0 329.371 3.630 20 0 EHADRM C[C@@H](Sc1nc(C(F)(F)F)ccc1C(=O)[O-])C(=O)C(C)(C)C ZINC001593679940 996104535 /nfs/dbraw/zinc/10/45/35/996104535.db2.gz QYOLTVJCXCAZIM-SSDOTTSWSA-N -1 0 335.347 3.894 20 0 EHADRM C[C@@H](c1c(F)cccc1F)N(C)C(=O)c1ccc(C(=O)[O-])s1 ZINC001593687328 996127324 /nfs/dbraw/zinc/12/73/24/996127324.db2.gz RGKUIGWJPMTHRY-QMMMGPOBSA-N -1 0 325.336 3.558 20 0 EHADRM C[C@@H](c1ccc(C(=O)OC2CC(CC(=O)[O-])C2)cc1)C(F)(F)F ZINC001593692564 996139819 /nfs/dbraw/zinc/13/98/19/996139819.db2.gz CPWMHUHALVNJKC-JBLZRFIASA-N -1 0 330.302 3.763 20 0 EHADRM C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)CCCCC(=O)[O-] ZINC001593693261 996143861 /nfs/dbraw/zinc/14/38/61/996143861.db2.gz LCZFRVGGVPSGTA-NSHDSACASA-N -1 0 331.334 3.870 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)S(=O)(=O)Cc1csc(C(=O)[O-])c1 ZINC001593693820 996146443 /nfs/dbraw/zinc/14/64/43/996146443.db2.gz QWZZMAMIQHPOGT-SECBINFHSA-N -1 0 344.841 3.776 20 0 EHADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001593699317 996170370 /nfs/dbraw/zinc/17/03/70/996170370.db2.gz UUMGOSDZNVWICC-RISCZKNCSA-N -1 0 338.835 3.543 20 0 EHADRM C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC001593705923 996193486 /nfs/dbraw/zinc/19/34/86/996193486.db2.gz LJZOQBCCNSNNPM-FZKQIMNGSA-N -1 0 341.382 3.932 20 0 EHADRM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001593709750 996206115 /nfs/dbraw/zinc/20/61/15/996206115.db2.gz CSQKAJJPTHERLS-QGTPRVQTSA-N -1 0 344.455 3.813 20 0 EHADRM C[C@H](c1nc(C(=O)[O-])co1)N1CCC(=Cc2cccc(F)c2)CC1 ZINC001593724155 996263781 /nfs/dbraw/zinc/26/37/81/996263781.db2.gz CWTBMMASDINBIP-GFCCVEGCSA-N -1 0 330.359 3.752 20 0 EHADRM O=C(CC1CCC(c2ccccc2)CC1)[N-]S(=O)(=O)CCCF ZINC000080317185 1016018204 /nfs/dbraw/zinc/01/82/04/1016018204.db2.gz WYKLTQZBDAJOKF-UHFFFAOYSA-N -1 0 341.448 3.996 20 0 EHADRM C[C@@H](c1nc(C(=O)[O-])co1)N1CCc2cc(C(F)(F)F)ccc2C1 ZINC001593728109 996288345 /nfs/dbraw/zinc/28/83/45/996288345.db2.gz BFSOPJWQHQCZNZ-VIFPVBQESA-N -1 0 340.301 3.511 20 0 EHADRM C[C@@H](c1ncc(C(=O)[O-])s1)N1CCc2sc(Cl)cc2C1 ZINC001593738141 996343806 /nfs/dbraw/zinc/34/38/06/996343806.db2.gz XFHMDZJMJGOPTF-ZETCQYMHSA-N -1 0 328.846 3.676 20 0 EHADRM C[C@H](c1ncc(C(=O)[O-])s1)N1CCc2c(F)cc(F)cc2[C@@H]1C ZINC001593738324 996345650 /nfs/dbraw/zinc/34/56/50/996345650.db2.gz ZKJCFJNXPUFVGT-DTWKUNHWSA-N -1 0 338.379 3.800 20 0 EHADRM C[C@@]1(C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])CCc2ccccc2C1 ZINC001593749996 996392468 /nfs/dbraw/zinc/39/24/68/996392468.db2.gz XHXPQYCLZJAETO-WIYYLYMNSA-N -1 0 343.467 3.579 20 0 EHADRM CS[C@H]1CCC[C@@H](NC(=O)c2cccc(Br)c2[O-])C1 ZINC000536689860 1032136204 /nfs/dbraw/zinc/13/62/04/1032136204.db2.gz FBUYQULGACZRHO-ZJUUUORDSA-N -1 0 344.274 3.559 20 0 EHADRM CC1(C(=O)[O-])CN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)C1 ZINC001593804998 996533396 /nfs/dbraw/zinc/53/33/96/996533396.db2.gz QORYASZDRXEVQE-UHFFFAOYSA-N -1 0 335.812 3.615 20 0 EHADRM C[C@]1(C(=O)Oc2ccc(CC(=O)[O-])cc2F)CCCc2ccccc21 ZINC001593816869 996557491 /nfs/dbraw/zinc/55/74/91/996557491.db2.gz QROHTHKRWVRTLB-FQEVSTJZSA-N -1 0 342.366 3.652 20 0 EHADRM C[C@@]1(C(F)(F)F)CCN(c2ncc(C(=O)[O-])cc2C(F)(F)F)C1 ZINC001593817217 996558695 /nfs/dbraw/zinc/55/86/95/996558695.db2.gz WNKIVYRJCUHZTE-LLVKDONJSA-N -1 0 342.239 3.577 20 0 EHADRM CC1(C)C(c2cc(NC(=O)c3ccc(C=CC(=O)[O-])o3)n[nH]2)C1(C)C ZINC001593837010 996594100 /nfs/dbraw/zinc/59/41/00/996594100.db2.gz CUQSFPJTPRREKL-SOFGYWHQSA-N -1 0 343.383 3.502 20 0 EHADRM CC1(C)C[C@@H](c2ccccc2)N(C(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC001593863055 996661840 /nfs/dbraw/zinc/66/18/40/996661840.db2.gz BDTOCRSFDKGRER-SFHVURJKSA-N -1 0 337.419 3.927 20 0 EHADRM CC1(C)CCC(C(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)CC1 ZINC001593871406 996684137 /nfs/dbraw/zinc/68/41/37/996684137.db2.gz ULWAWZGVWDSULQ-UHFFFAOYSA-N -1 0 333.403 3.625 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2O)cc1 ZINC000442845970 1016057652 /nfs/dbraw/zinc/05/76/52/1016057652.db2.gz IVIFSOWTNVDTJB-LBPRGKRZSA-N -1 0 335.425 3.715 20 0 EHADRM CC1(C)CC[C@@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001593883766 996717995 /nfs/dbraw/zinc/71/79/95/996717995.db2.gz SLUGZZVXBHJJPD-OLZOCXBDSA-N -1 0 343.345 3.774 20 0 EHADRM CC1(C)CCC[C@H]1C(=O)N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001593896994 996756408 /nfs/dbraw/zinc/75/64/08/996756408.db2.gz HKUGDUKSCZWCPX-QWHCGFSZSA-N -1 0 343.345 3.774 20 0 EHADRM CC1(C)CCN(CC(=O)Nc2cccc(C(=O)[O-])c2)c2ccccc21 ZINC001593911822 996806715 /nfs/dbraw/zinc/80/67/15/996806715.db2.gz OEXHWUALISDYSW-UHFFFAOYSA-N -1 0 338.407 3.511 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCC(=O)c1csc2ccccc12 ZINC001599381007 996846341 /nfs/dbraw/zinc/84/63/41/996846341.db2.gz PKFLEECOYRAJMD-UHFFFAOYSA-N -1 0 342.372 3.870 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)N([C@H](C)c2ccco2)C2CC2)c1 ZINC001599488896 996902605 /nfs/dbraw/zinc/90/26/05/996902605.db2.gz CHLDGWUGRYEGDM-LLVKDONJSA-N -1 0 344.367 3.744 20 0 EHADRM CC1(C)CN(C(=O)c2cccc(CC(=O)[O-])c2)[C@H]1c1cccs1 ZINC001593936560 996918721 /nfs/dbraw/zinc/91/87/21/996918721.db2.gz NJUCMXWCNBCCIO-INIZCTEOSA-N -1 0 329.421 3.599 20 0 EHADRM CC1(C)CN(C(=O)c2ccccc2SCc2occc2C(=O)[O-])C1 ZINC001593936805 996921532 /nfs/dbraw/zinc/92/15/32/996921532.db2.gz WAIDOJNOSQSUEI-UHFFFAOYSA-N -1 0 345.420 3.752 20 0 EHADRM CC1(C)CN(C(=O)c2ccccc2CCC(=O)[O-])Cc2ccccc21 ZINC001593936851 996923674 /nfs/dbraw/zinc/92/36/74/996923674.db2.gz YTHJNUVFVQZWCM-UHFFFAOYSA-N -1 0 337.419 3.637 20 0 EHADRM COCc1cc(NC(=O)/C=C(/C)c2ccccc2C)cc(C(=O)[O-])c1 ZINC001599284372 996949116 /nfs/dbraw/zinc/94/91/16/996949116.db2.gz RXKUNWFMPCAZDA-ZSOIEALJSA-N -1 0 339.391 3.882 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1ccccc1CC(C)C ZINC001599386255 996950971 /nfs/dbraw/zinc/95/09/71/996950971.db2.gz JHSVYGIUUNUDGW-UHFFFAOYSA-N -1 0 327.380 3.844 20 0 EHADRM COc1cc(C(=O)O[C@@H]2CCCc3cc(C(=O)[O-])ccc32)ccc1C ZINC001599386642 996956985 /nfs/dbraw/zinc/95/69/85/996956985.db2.gz ZWDZQADRSARZDM-QGZVFWFLSA-N -1 0 340.375 3.936 20 0 EHADRM COCc1cc(NC(=O)N[C@@H](C)c2cc(C)oc2C)cc(C(=O)[O-])c1 ZINC001599285166 996963595 /nfs/dbraw/zinc/96/35/95/996963595.db2.gz CDXMYMSYVZLATD-NSHDSACASA-N -1 0 346.383 3.624 20 0 EHADRM CC1(C)CN(Cc2nc3cc(C(=O)[O-])ccc3[nH]2)[C@@H]1c1cccs1 ZINC001593944671 996979289 /nfs/dbraw/zinc/97/92/89/996979289.db2.gz ATSOIHZUBSMKTE-MRXNPFEDSA-N -1 0 341.436 3.906 20 0 EHADRM COCc1cc(NC(=O)N[C@H]2CCC(C)(C)C[C@@H]2C)cc(C(=O)[O-])c1 ZINC001599286866 996994552 /nfs/dbraw/zinc/99/45/52/996994552.db2.gz AEWYXXWVADJIJD-LRDDRELGSA-N -1 0 348.443 3.868 20 0 EHADRM COCc1cc(NCc2cc(C(=O)[O-])c(C(C)C)[nH]2)ccc1OC ZINC001599290051 997049058 /nfs/dbraw/zinc/04/90/58/997049058.db2.gz YSMBURCSMJJOFG-UHFFFAOYSA-N -1 0 332.400 3.603 20 0 EHADRM COc1cc(C)cc(CNC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c1 ZINC001599392652 997065616 /nfs/dbraw/zinc/06/56/16/997065616.db2.gz QOILKMXVESOYAM-CYBMUJFWSA-N -1 0 342.395 3.513 20 0 EHADRM COc1cc(C)cc(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)c1C ZINC001599392711 997067255 /nfs/dbraw/zinc/06/72/55/997067255.db2.gz ZJVSCYQBMSDNFT-UHFFFAOYSA-N -1 0 335.306 3.541 20 0 EHADRM CC1(C)CO[C@H](CNC(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)C1 ZINC001593959034 997068139 /nfs/dbraw/zinc/06/81/39/997068139.db2.gz JSFOCFCUPOJMQM-LBPRGKRZSA-N -1 0 348.424 3.536 20 0 EHADRM COc1cc(C)c(NC(=O)Nc2ccc(C(=O)[O-])cc2C)cc1OC ZINC001599392845 997069588 /nfs/dbraw/zinc/06/95/88/997069588.db2.gz IWXGIWWMHUDIBH-UHFFFAOYSA-N -1 0 344.367 3.663 20 0 EHADRM COc1cc(C)c(NC(=O)Nc2cc(C)cc(C(=O)[O-])c2)cc1OC ZINC001599393365 997079955 /nfs/dbraw/zinc/07/99/55/997079955.db2.gz MBXSQARRTVXHJZ-UHFFFAOYSA-N -1 0 344.367 3.663 20 0 EHADRM CC1(C)COc2c1cccc2-c1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC001593961081 997087077 /nfs/dbraw/zinc/08/70/77/997087077.db2.gz MVUZOIZABHVAPO-UHFFFAOYSA-N -1 0 336.347 3.772 20 0 EHADRM COCc1ccc(N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@@H]23)cc1C(F)(F)F ZINC001599294445 997114305 /nfs/dbraw/zinc/11/43/05/997114305.db2.gz GNZFTUIKIYREFC-FMVNMVDZSA-N -1 0 343.345 3.763 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)[C@@H]1CCCCC1(C)C ZINC001599395793 997122935 /nfs/dbraw/zinc/12/29/35/997122935.db2.gz AIWBVEIJMAYMTB-PLWJUESGSA-N -1 0 332.396 3.915 20 0 EHADRM COc1ccc(C(=O)[O-])c2c1CN(Cc1ccc(F)c(Cl)c1)CC2 ZINC001599501155 997123704 /nfs/dbraw/zinc/12/37/04/997123704.db2.gz IRKZVYVXCAQQDE-UHFFFAOYSA-N -1 0 349.789 3.744 20 0 EHADRM CC1(C)Cc2cccc(NC(=O)C34CCC(C(=O)[O-])(CC3)CC4)c2O1 ZINC001593969368 997133297 /nfs/dbraw/zinc/13/32/97/997133297.db2.gz MUDMRRGVUBGOLI-UHFFFAOYSA-N -1 0 343.423 3.764 20 0 EHADRM COCc1cccc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)[O-])c1 ZINC001599295533 997133674 /nfs/dbraw/zinc/13/36/74/997133674.db2.gz RAPLWABONXFDKB-UHFFFAOYSA-N -1 0 333.771 3.745 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)CCCc1ccsc1 ZINC001599398093 997165198 /nfs/dbraw/zinc/16/51/98/997165198.db2.gz XKCRGUMOZNZRKE-SOFGYWHQSA-N -1 0 346.404 3.783 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)C1CCC(C)(C)CC1 ZINC001599398512 997171839 /nfs/dbraw/zinc/17/18/39/997171839.db2.gz HQSBOMJZHIILHE-FNORWQNLSA-N -1 0 332.396 3.915 20 0 EHADRM COc1ccc(/C(C)=C/C(=O)Nc2scc(C(=O)[O-])c2C)cc1 ZINC001599505626 997206767 /nfs/dbraw/zinc/20/67/67/997206767.db2.gz UIOWFDIQARRQLV-CSKARUKUSA-N -1 0 331.393 3.805 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Nc2c(C)csc2C(=O)[O-])cc1 ZINC001599506164 997213344 /nfs/dbraw/zinc/21/33/44/997213344.db2.gz BCLBRGAGLMHGCZ-SNVBAGLBSA-N -1 0 333.409 3.896 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001599401403 997221723 /nfs/dbraw/zinc/22/17/23/997221723.db2.gz WXIYFYSKXDIIJR-WUKHSURWSA-N -1 0 330.380 3.835 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1cccc(C2CC2)c1 ZINC001599401694 997226085 /nfs/dbraw/zinc/22/60/85/997226085.db2.gz ZADTZTTWBPZUDG-POHAHGRESA-N -1 0 338.359 3.890 20 0 EHADRM C[C@@]1(CC(=O)N2CCCc3ccc(C(=O)[O-])cc32)CC1(Cl)Cl ZINC001593996503 997307949 /nfs/dbraw/zinc/30/79/49/997307949.db2.gz XGQJKSYGAORWSI-OAHLLOKOSA-N -1 0 342.222 3.638 20 0 EHADRM C[C@@]1(CC(=O)Nc2cc(C(=O)[O-])ccc2Cl)CC1(Cl)Cl ZINC001593997014 997311278 /nfs/dbraw/zinc/31/12/78/997311278.db2.gz DSFPVGHPPGOKEV-GFCCVEGCSA-N -1 0 336.602 3.951 20 0 EHADRM CC1(CC(=O)Nc2sc3c(c2C(=O)[O-])CCOC3)CCCCC1 ZINC001593998478 997328019 /nfs/dbraw/zinc/32/80/19/997328019.db2.gz OZHWJXHPPOETFA-UHFFFAOYSA-N -1 0 337.441 3.818 20 0 EHADRM C[C@@]1(CC(=O)OCc2ccc(C(=O)[O-])cc2F)CC1(Cl)Cl ZINC001593998599 997330248 /nfs/dbraw/zinc/33/02/48/997330248.db2.gz VHEHDZXTTHVXRM-CYBMUJFWSA-N -1 0 335.158 3.541 20 0 EHADRM CON(C(=O)Cc1ccc(C2CCCCC2)cc1)[C@H](C)CC(=O)[O-] ZINC001599309767 997393085 /nfs/dbraw/zinc/39/30/85/997393085.db2.gz KWDZBIPAJZUKKS-CQSZACIVSA-N -1 0 333.428 3.530 20 0 EHADRM COc1ccc([C@@H](NC(=O)CC(C2CCC2)C2CCC2)C(=O)[O-])cc1 ZINC001599518447 997434046 /nfs/dbraw/zinc/43/40/46/997434046.db2.gz HJRWXLRKCMCLCO-LJQANCHMSA-N -1 0 345.439 3.544 20 0 EHADRM COc1cc(CNC(=O)N2CCC[C@@H]2CCC(C)C)ccc1C(=O)[O-] ZINC001599412729 997452277 /nfs/dbraw/zinc/45/22/77/997452277.db2.gz YZSRQWNGGJPMIF-OAHLLOKOSA-N -1 0 348.443 3.504 20 0 EHADRM CON(Cc1ccccc1Cl)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001599317749 997528912 /nfs/dbraw/zinc/52/89/12/997528912.db2.gz ADBWPDYQXWWZAA-UHFFFAOYSA-N -1 0 334.759 3.634 20 0 EHADRM COc1cc(Cl)ccc1CN[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001599420880 997592645 /nfs/dbraw/zinc/59/26/45/997592645.db2.gz LYRYHHXOTJXMRV-OAHLLOKOSA-N -1 0 340.206 3.918 20 0 EHADRM COc1cc(Cl)cc(C(=O)Nc2cccc(C(=O)[O-])c2Cl)c1 ZINC001599420945 997593603 /nfs/dbraw/zinc/59/36/03/997593603.db2.gz RREYZEZKWUABAS-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM CO[C@H]1CCC[C@H](CC(=O)N2CCCc3c(C(=O)[O-])ccc(C)c32)C1 ZINC001599113709 997614775 /nfs/dbraw/zinc/61/47/75/997614775.db2.gz RROAUXHMKZUJSW-GJZGRUSLSA-N -1 0 345.439 3.568 20 0 EHADRM C[C@@]1(Cc2ccccc2)CCCN1C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001594041242 997658425 /nfs/dbraw/zinc/65/84/25/997658425.db2.gz CQTSRNLVXJUZSO-QKLQHJQFSA-N -1 0 329.440 3.501 20 0 EHADRM C[C@]1(Cc2cccc(Cl)c2)CCCN1C(=O)c1cc(C(=O)[O-])co1 ZINC001594041439 997661070 /nfs/dbraw/zinc/66/10/70/997661070.db2.gz JUGTZTZMNNNDCQ-GOSISDBHSA-N -1 0 347.798 3.869 20 0 EHADRM COc1ccc(C)cc1CC(=O)O[C@@H](C)c1ccc(C(=O)[O-])cc1 ZINC001599533448 997700609 /nfs/dbraw/zinc/70/06/09/997700609.db2.gz LVLXOXRMUYPPOV-ZDUSSCGKSA-N -1 0 328.364 3.549 20 0 EHADRM COc1ccc(C)cc1NC(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001599535592 997739223 /nfs/dbraw/zinc/73/92/23/997739223.db2.gz AYNGICJTFUWILD-OAHLLOKOSA-N -1 0 342.395 3.650 20 0 EHADRM CCN(C(=O)c1cc(F)c(F)c([O-])c1F)[C@H](C)Cc1ccsc1 ZINC000275206461 1016151201 /nfs/dbraw/zinc/15/12/01/1016151201.db2.gz IWOCTFLPJWXDKU-SECBINFHSA-N -1 0 343.370 3.964 20 0 EHADRM COc1cc(NC(=O)C[C@@H](C)c2ccccc2F)ccc1C(=O)[O-] ZINC001599430902 997756944 /nfs/dbraw/zinc/75/69/44/997756944.db2.gz GKQNHPVXDTXHJS-LLVKDONJSA-N -1 0 331.343 3.665 20 0 EHADRM COc1cc(NC(=O)[C@H]2CCSc3ccccc32)ccc1C(=O)[O-] ZINC001599432181 997777970 /nfs/dbraw/zinc/77/79/70/997777970.db2.gz RQKYYDLSQQAUBU-ZDUSSCGKSA-N -1 0 343.404 3.612 20 0 EHADRM CO[C@H]1CCN(Cc2sc3ccccc3c2Cl)[C@@H](C(=O)[O-])C1 ZINC001599123743 997793824 /nfs/dbraw/zinc/79/38/24/997793824.db2.gz MARRXOMJKXTMDE-CMPLNLGQSA-N -1 0 339.844 3.619 20 0 EHADRM COc1cc(NC(=O)c2cc3cccc(C)c3o2)ccc1C(=O)[O-] ZINC001599442141 997947420 /nfs/dbraw/zinc/94/74/20/997947420.db2.gz GKOYWSSVBAQLRZ-UHFFFAOYSA-N -1 0 325.320 3.700 20 0 EHADRM COc1cc(NC(=O)c2cnc3ccccc3c2C)ccc1C(=O)[O-] ZINC001599443006 997961214 /nfs/dbraw/zinc/96/12/14/997961214.db2.gz SSTLYUMTURMBEL-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM COc1ccc(C[C@@H](C)C(=O)Nc2cc(C)c(C(=O)[O-])s2)cc1 ZINC001599550336 997996459 /nfs/dbraw/zinc/99/64/59/997996459.db2.gz MFXNNXQEUVLHLL-LLVKDONJSA-N -1 0 333.409 3.581 20 0 EHADRM COc1cc(OC(=O)CCCc2ccc(Cl)cc2)ccc1C(=O)[O-] ZINC001599445274 997998001 /nfs/dbraw/zinc/99/80/01/997998001.db2.gz FBMDBVYLJRPSRX-UHFFFAOYSA-N -1 0 348.782 3.975 20 0 EHADRM COc1cc(OC(=O)[C@]2(C)CCCc3ccccc32)ccc1C(=O)[O-] ZINC001599445344 997998970 /nfs/dbraw/zinc/99/89/70/997998970.db2.gz CXNALDBHIKFJDX-HXUWFJFHSA-N -1 0 340.375 3.593 20 0 EHADRM COc1cc(OC(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)ccc1C(=O)[O-] ZINC001599445496 998001738 /nfs/dbraw/zinc/00/17/38/998001738.db2.gz DJUVEATXMTVNHP-GJZGRUSLSA-N -1 0 344.338 3.632 20 0 EHADRM COc1cc(OC(=O)CC[C@@H]2CCc3ccccc32)ccc1C(=O)[O-] ZINC001599445709 998006174 /nfs/dbraw/zinc/00/61/74/998006174.db2.gz LNYDRNWCQKLRQD-AWEZNQCLSA-N -1 0 340.375 3.809 20 0 EHADRM CC12CC3(C)CC(C)(C1)CC(C(=O)Nc1nc(C(=O)[O-])ns1)(C2)C3 ZINC001594086272 998009414 /nfs/dbraw/zinc/00/94/14/998009414.db2.gz XRZSEQHDWOPROR-UHFFFAOYSA-N -1 0 349.456 3.562 20 0 EHADRM COc1cc(OC(=O)/C=C/c2cc(C)c(C)cc2C)ccc1C(=O)[O-] ZINC001599446098 998012277 /nfs/dbraw/zinc/01/22/77/998012277.db2.gz SKAJKHOYQMBLQM-VMPITWQZSA-N -1 0 340.375 3.937 20 0 EHADRM CC1=C(C(=O)[O-])[C@H](c2ccc(-c3cccc(Cl)c3)s2)NC(=O)N1 ZINC001594095527 998068169 /nfs/dbraw/zinc/06/81/69/998068169.db2.gz SKQISHSZTXSSLV-AWEZNQCLSA-N -1 0 348.811 3.781 20 0 EHADRM COc1cc(OC)c(OC)cc1CS[C@@H](C(=O)[O-])c1ccccc1 ZINC001599450065 998077884 /nfs/dbraw/zinc/07/78/84/998077884.db2.gz XIMXFSGHANPSAM-QGZVFWFLSA-N -1 0 348.420 3.772 20 0 EHADRM COC(=O)c1cc(OC(=O)C[C@H](C)CC(C)(C)C)cc(C(=O)[O-])c1 ZINC001598949728 998126057 /nfs/dbraw/zinc/12/60/57/998126057.db2.gz DTRFIRUJQLNILN-NSHDSACASA-N -1 0 336.384 3.539 20 0 EHADRM CC1=C(C(=O)[O-])C[C@@H](CN2CCCSc3ccc(Cl)cc32)O1 ZINC001594103527 998138179 /nfs/dbraw/zinc/13/81/79/998138179.db2.gz YFODNNSXFUKMTC-LBPRGKRZSA-N -1 0 339.844 3.790 20 0 EHADRM COc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)ccc1Cl ZINC001599354765 998160707 /nfs/dbraw/zinc/16/07/07/998160707.db2.gz IMHLQWUJUPSPQX-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM CC1=C(C)C[C@@H](C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)CC1 ZINC001594110349 998208335 /nfs/dbraw/zinc/20/83/35/998208335.db2.gz UJVVIEQMKWUTMO-WFASDCNBSA-N -1 0 339.794 3.858 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)c1O ZINC001599358698 998223543 /nfs/dbraw/zinc/22/35/43/998223543.db2.gz BGIKVSCTRCQDHQ-RYUDHWBXSA-N -1 0 349.427 3.890 20 0 EHADRM CC1=CC[C@@](C)(C(=O)N2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)CC1 ZINC001594113977 998232807 /nfs/dbraw/zinc/23/28/07/998232807.db2.gz WRZBVGTXDLVVME-SCLBCKFNSA-N -1 0 348.468 3.684 20 0 EHADRM COc1cc(C(=O)[O-])cc(N[C@H]2CS[C@H](C(C)(C)C)C2)c1OC ZINC001599362561 998284011 /nfs/dbraw/zinc/28/40/11/998284011.db2.gz WWIPZLCYZJWONZ-RISCZKNCSA-N -1 0 339.457 3.734 20 0 EHADRM CCn1nc(C)c(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])c1C ZINC001137571634 1016208870 /nfs/dbraw/zinc/20/88/70/1016208870.db2.gz LFYYSTZOTCYBTI-UHFFFAOYSA-N -1 0 328.199 3.785 20 0 EHADRM COc1cc2ccccc2cc1C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC001599466582 998372241 /nfs/dbraw/zinc/37/22/41/998372241.db2.gz LRDQQTSSMAYTBG-UHFFFAOYSA-N -1 0 341.407 3.708 20 0 EHADRM COc1cc2ccccc2cc1CN[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001599466870 998377635 /nfs/dbraw/zinc/37/76/35/998377635.db2.gz VTWUZRQWHQWXGB-NSHDSACASA-N -1 0 342.420 3.854 20 0 EHADRM COC[C@H](C)CNc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC001599156578 998382808 /nfs/dbraw/zinc/38/28/08/998382808.db2.gz FBEGOFHPMNDFLA-CQSZACIVSA-N -1 0 329.396 3.658 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N(C)[C@@H](C)C1CCCCC1 ZINC001599370370 998399954 /nfs/dbraw/zinc/39/99/54/998399954.db2.gz ICKFCNSLIGVPNO-LBPRGKRZSA-N -1 0 334.416 3.826 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N(C)c1ccc(C)c(C)c1 ZINC001599371508 998417207 /nfs/dbraw/zinc/41/72/07/998417207.db2.gz SJMWIFUFFIDBBQ-UHFFFAOYSA-N -1 0 328.368 3.679 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)c1ccc(Cl)cc1 ZINC001599371633 998419705 /nfs/dbraw/zinc/41/97/05/998419705.db2.gz SVLJYKJIWYFJDL-JTQLQIEISA-N -1 0 333.771 3.789 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N1CCc2c1cccc2Cl ZINC001599372414 998431596 /nfs/dbraw/zinc/43/15/96/998431596.db2.gz HYABNOFBUJZLJB-UHFFFAOYSA-N -1 0 346.770 3.641 20 0 EHADRM O=C(Cc1cccnc1)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000127639176 1016216309 /nfs/dbraw/zinc/21/63/09/1016216309.db2.gz IJBLEGWNFJGDMF-UHFFFAOYSA-N -1 0 331.586 3.929 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)NC[C@@H]1CCC=CCCC1 ZINC001599374210 998460306 /nfs/dbraw/zinc/46/03/06/998460306.db2.gz XNPNHCGUUNPQKY-CYBMUJFWSA-N -1 0 332.400 3.651 20 0 EHADRM COC[C@@H](CSc1nc(C(F)(F)F)ccc1C(=O)[O-])C(C)C ZINC001599164272 998513801 /nfs/dbraw/zinc/51/38/01/998513801.db2.gz FVFOXYWQZLTNBI-VIFPVBQESA-N -1 0 337.363 3.809 20 0 EHADRM COC[C@H](CSc1nc(C(F)(F)F)ccc1C(=O)[O-])C(C)C ZINC001599164265 998513823 /nfs/dbraw/zinc/51/38/23/998513823.db2.gz FVFOXYWQZLTNBI-SECBINFHSA-N -1 0 337.363 3.809 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)C[C@@H]1C[C@H]1Cc1ccccc1 ZINC001599378086 998521119 /nfs/dbraw/zinc/52/11/19/998521119.db2.gz GGBLHVQDAGDRDB-CVEARBPZSA-N -1 0 340.375 3.568 20 0 EHADRM COCCn1c2ccc(Cl)cc2nc1SCCCCC(=O)[O-] ZINC001599270093 998535522 /nfs/dbraw/zinc/53/55/22/998535522.db2.gz UDRMIRUTURHVAK-UHFFFAOYSA-N -1 0 342.848 3.683 20 0 EHADRM COC(=O)c1ccc(NC(=O)C=C2CCC(C)(C)CC2)cc1C(=O)[O-] ZINC001598979243 998639537 /nfs/dbraw/zinc/63/95/37/998639537.db2.gz WSWGYYDOSXTNNQ-UHFFFAOYSA-N -1 0 345.395 3.637 20 0 EHADRM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1C(=O)c1ccc(-c2ccco2)s1 ZINC001594206953 998795819 /nfs/dbraw/zinc/79/58/19/998795819.db2.gz ULFSXKUIKCEVPW-GHMZBOCLSA-N -1 0 333.409 3.722 20 0 EHADRM C[C@@H]1CC(C(=O)[O-])C[C@H](C)N1C(=O)/C=C/c1ccc(Cl)s1 ZINC001594207165 998797344 /nfs/dbraw/zinc/79/73/44/998797344.db2.gz XHHPHGJIMXNOBR-KXNDRUSUSA-N -1 0 327.833 3.515 20 0 EHADRM C[C@H]1CC(CNC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C[C@H](C)C1 ZINC001594223134 998860223 /nfs/dbraw/zinc/86/02/23/998860223.db2.gz NPECJZAUVNFQES-NXEZZACHSA-N -1 0 340.370 3.857 20 0 EHADRM C[C@@H]1CC(CNC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)C[C@@H](C)C1 ZINC001594223517 998862294 /nfs/dbraw/zinc/86/22/94/998862294.db2.gz WGKRQBCUDWYPNY-KBPBESRZSA-N -1 0 344.455 3.525 20 0 EHADRM C[C@@H]1C[C@H](CC(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)CC(C)(C)C1 ZINC001594232551 998886293 /nfs/dbraw/zinc/88/62/93/998886293.db2.gz MOQLLHUXVXXAKG-CPUCHLNUSA-N -1 0 349.446 3.963 20 0 EHADRM COc1cc2nc(C)sc2cc1[N-]S(=O)(=O)c1ccccc1C ZINC000340092300 1016261020 /nfs/dbraw/zinc/26/10/20/1016261020.db2.gz CQZOOQCFNXGFQU-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM CC1CC(NC(=O)Nc2ccc(Cl)cc2SCCC(=O)[O-])C1 ZINC001594257082 998990021 /nfs/dbraw/zinc/99/00/21/998990021.db2.gz DDTQFGXPAKPOKJ-UHFFFAOYSA-N -1 0 342.848 3.827 20 0 EHADRM CO[C@H](C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1)C1CCCCC1 ZINC001599028413 999032792 /nfs/dbraw/zinc/03/27/92/999032792.db2.gz ZADFMEIULXNODH-AWEZNQCLSA-N -1 0 343.782 3.711 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001594270108 999043758 /nfs/dbraw/zinc/04/37/58/999043758.db2.gz QDIRXRHWWUWIET-VFVRVIDISA-N -1 0 341.382 3.931 20 0 EHADRM CO[C@@H](C)C(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)[O-] ZINC001599036995 999090158 /nfs/dbraw/zinc/09/01/58/999090158.db2.gz ZGJKOPKFYKNXTD-QMMMGPOBSA-N -1 0 339.800 3.740 20 0 EHADRM C[C@@H]1CC=C(C(=O)NC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)CC1 ZINC001594290372 999117586 /nfs/dbraw/zinc/11/75/86/999117586.db2.gz HJHIPMUPJKYHBX-DYVFJYSZSA-N -1 0 327.424 3.667 20 0 EHADRM C[C@@H]1CC/C(=C/C(=O)N[C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)C1 ZINC001594291486 999123771 /nfs/dbraw/zinc/12/37/71/999123771.db2.gz WCIZRCJTLCPNTE-UYRIEOCJSA-N -1 0 341.329 3.851 20 0 EHADRM C[C@@H]1CC/C(=C/C(=O)N[C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)C1 ZINC001594291484 999123907 /nfs/dbraw/zinc/12/39/07/999123907.db2.gz WCIZRCJTLCPNTE-OTIVAASZSA-N -1 0 341.329 3.851 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001594292404 999128142 /nfs/dbraw/zinc/12/81/42/999128142.db2.gz KNHWGXOQTYYDRN-GIPNMCIBSA-N -1 0 338.354 3.848 20 0 EHADRM C[C@@H]1CCC(C)(C)N1C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001594295936 999139910 /nfs/dbraw/zinc/13/99/10/999139910.db2.gz KXPKIOXSFFCSKP-MRVPVSSYSA-N -1 0 328.771 3.972 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001594297720 999149001 /nfs/dbraw/zinc/14/90/01/999149001.db2.gz ZNMOMXZOMBJNBA-NNFUDEMPSA-N -1 0 338.492 3.591 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001594298622 999151190 /nfs/dbraw/zinc/15/11/90/999151190.db2.gz IXMNQTUBPDJHKY-KBRIMQKVSA-N -1 0 333.428 3.801 20 0 EHADRM C[C@H]1CC[C@]([NH2+]Cc2cncc(Cl)c2)(C(=O)[O-])c2ccccc21 ZINC001594319490 999228240 /nfs/dbraw/zinc/22/82/40/999228240.db2.gz FCWBWIXHOKBCGW-KPZWWZAWSA-N -1 0 330.815 3.702 20 0 EHADRM CO[C@@H](CSc1cc2ccccc2cc1C(=O)[O-])[C@H]1CCOC1 ZINC001599059250 999253074 /nfs/dbraw/zinc/25/30/74/999253074.db2.gz OPPPFDRTLUOWJU-HOCLYGCPSA-N -1 0 332.421 3.682 20 0 EHADRM C[C@H]1CC[C@H](Nc2cc(I)cc(C(=O)[O-])c2)C1 ZINC001594327499 999258621 /nfs/dbraw/zinc/25/86/21/999258621.db2.gz YOJLYAVSXXJLKR-KWQFWETISA-N -1 0 345.180 3.590 20 0 EHADRM C[C@@H]1CC[C@@H](OC(=O)c2cc(C(=O)[O-])nn2-c2ccccc2)[C@H](C)C1 ZINC001594329302 999265335 /nfs/dbraw/zinc/26/53/35/999265335.db2.gz WQADOMZQTZQLJE-PBFPGSCMSA-N -1 0 342.395 3.552 20 0 EHADRM C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)Nc2ccc(C(=O)[O-])nc2)C1 ZINC001594330530 999270963 /nfs/dbraw/zinc/27/09/63/999270963.db2.gz UAEFKKAPBABTAH-GUYCJALGSA-N -1 0 339.395 3.785 20 0 EHADRM C[C@@H]1CCC[C@H](OCC(=O)O[C@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001594354288 999338364 /nfs/dbraw/zinc/33/83/64/999338364.db2.gz BWKJTTMPWYDGIO-WQGACYEGSA-N -1 0 340.803 3.604 20 0 EHADRM C[C@H]1CCC[C@H](OCC(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)C1 ZINC001594354927 999339909 /nfs/dbraw/zinc/33/99/09/999339909.db2.gz GJFBENCGYAHWSZ-ZFWWWQNUSA-N -1 0 334.412 3.550 20 0 EHADRM C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)[C@H]3C[C@@H](C(=O)[O-])C3)c2)C1 ZINC001594356041 999343361 /nfs/dbraw/zinc/34/33/61/999343361.db2.gz PYQJAYHMBIDRBM-KMANFZQXSA-N -1 0 345.439 3.831 20 0 EHADRM C[C@@H]1CCC[C@H]1CC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001594356654 999347713 /nfs/dbraw/zinc/34/77/13/999347713.db2.gz CRRVBRBILPXUAY-WTANOLMUSA-N -1 0 325.408 3.908 20 0 EHADRM C[C@@H]1CCC[C@H]1CC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001594357890 999353294 /nfs/dbraw/zinc/35/32/94/999353294.db2.gz QMNJARAZSIWOMA-OLZOCXBDSA-N -1 0 329.396 3.616 20 0 EHADRM C[C@@H]1CCC[C@H]1CC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001594360480 999363255 /nfs/dbraw/zinc/36/32/55/999363255.db2.gz VRRPGBYSGYWWNU-ZJUUUORDSA-N -1 0 327.327 3.751 20 0 EHADRM C[C@H]1CCCC[C@H]1NC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001594365914 999382720 /nfs/dbraw/zinc/38/27/20/999382720.db2.gz LMLWWBMQUHAQOK-DZGCQCFKSA-N -1 0 345.443 3.685 20 0 EHADRM C[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001594366495 999385146 /nfs/dbraw/zinc/38/51/46/999385146.db2.gz QHTUWTFSLSSXPY-UFBFGSQYSA-N -1 0 328.771 3.878 20 0 EHADRM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001594369875 999392947 /nfs/dbraw/zinc/39/29/47/999392947.db2.gz BQTPQZLKUXVXIZ-NOZJJQNGSA-N -1 0 343.782 3.711 20 0 EHADRM C[C@H]1CCCC[C@@H]1OCC(=O)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001594370808 999397881 /nfs/dbraw/zinc/39/78/81/999397881.db2.gz MJHBLBGVGLOTNV-HZMBPMFUSA-N -1 0 326.776 3.539 20 0 EHADRM CC(C)[C@H](CNC(=O)c1cccc(Nc2ccccc2)c1)C(=O)[O-] ZINC000655568485 1016318746 /nfs/dbraw/zinc/31/87/46/1016318746.db2.gz LINOWIQYPVPNDB-KRWDZBQOSA-N -1 0 326.396 3.517 20 0 EHADRM C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001594388456 999470581 /nfs/dbraw/zinc/47/05/81/999470581.db2.gz LAPBYTAERASDRE-JOLRQXPSSA-N -1 0 339.391 3.821 20 0 EHADRM CC(C)c1ccc(SCC(=O)N2CC[C@@H](C)C[C@@H]2C(=O)[O-])cc1 ZINC001594400926 999500036 /nfs/dbraw/zinc/50/00/36/999500036.db2.gz NNVDTXWZFCQWRR-CZUORRHYSA-N -1 0 335.469 3.614 20 0 EHADRM C[C@@H]1CCN(C(=O)NCc2ccc(C(=O)[O-])s2)[C@@H]1c1ccccc1 ZINC001594402825 999509984 /nfs/dbraw/zinc/50/99/84/999509984.db2.gz JIMVVAVQHHMFJE-WBMJQRKESA-N -1 0 344.436 3.739 20 0 EHADRM C[C@@H]1CCN(C(=O)NCc2ccc(C(=O)[O-])s2)[C@@H](c2ccco2)C1 ZINC001594403265 999512199 /nfs/dbraw/zinc/51/21/99/999512199.db2.gz RMQDOAYKVWWSJV-DGCLKSJQSA-N -1 0 348.424 3.722 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc3cc(C(C)(C)C)ccc3[nH]2)[C@@H](C(=O)[O-])C1 ZINC001594409481 999529973 /nfs/dbraw/zinc/52/99/73/999529973.db2.gz GIHXUDMVZATYMM-SJKOYZFVSA-N -1 0 342.439 3.791 20 0 EHADRM Cc1ccc(-c2nc(CNC(=O)c3c([O-])cc(F)cc3F)co2)cc1 ZINC000091991453 1016328398 /nfs/dbraw/zinc/32/83/98/1016328398.db2.gz MDRGOFGJWSJIFR-UHFFFAOYSA-N -1 0 344.317 3.564 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2CCC(C(F)(F)F)CC2)cc1F ZINC000323041520 1016333942 /nfs/dbraw/zinc/33/39/42/1016333942.db2.gz BZRQJVXHKTZNPU-UHFFFAOYSA-N -1 0 333.281 3.831 20 0 EHADRM C[C@@H]1CCc2c(C(=O)Oc3ccc(CC(=O)[O-])cc3)csc2C1 ZINC001594442385 999628968 /nfs/dbraw/zinc/62/89/68/999628968.db2.gz RASZLNAAOKKJPH-LLVKDONJSA-N -1 0 330.405 3.719 20 0 EHADRM C[C@H]1CCc2sc(-c3nnc(-c4ccnc(C(=O)[O-])c4)o3)cc2C1 ZINC001594450281 999646826 /nfs/dbraw/zinc/64/68/26/999646826.db2.gz CYTNLUPPKAYJKH-VIFPVBQESA-N -1 0 341.392 3.683 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655579956 1016451780 /nfs/dbraw/zinc/45/17/80/1016451780.db2.gz CFSJHXGHOWMOET-PQEBFOHHSA-N -1 0 331.456 3.507 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655581054 1016465119 /nfs/dbraw/zinc/46/51/19/1016465119.db2.gz UOVLKVDZKOXBSV-UTJXIGIESA-N -1 0 331.456 3.604 20 0 EHADRM O=S(=O)([N-]C1(C(F)(F)F)CCCCC1)c1cc(F)cc(F)c1 ZINC000510223092 1016500306 /nfs/dbraw/zinc/50/03/06/1016500306.db2.gz OGBRDVUNZVEWNM-UHFFFAOYSA-N -1 0 343.317 3.508 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N1CCCC[C@H]1c1ccccc1)C(=O)[O-] ZINC000424422507 1016514949 /nfs/dbraw/zinc/51/49/49/1016514949.db2.gz MXSQEHGNCMGJDZ-IRXDYDNUSA-N -1 0 332.444 3.670 20 0 EHADRM COCc1ccc([C@H]2CCCN2C(=O)c2cc(SC)ccc2O)o1 ZINC000613576507 1016680967 /nfs/dbraw/zinc/68/09/67/1016680967.db2.gz SZOPFXGASYWCBH-OAHLLOKOSA-N -1 0 347.436 3.831 20 0 EHADRM Cc1ncc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)s1 ZINC000533621352 1016943348 /nfs/dbraw/zinc/94/33/48/1016943348.db2.gz CQCPNZLFSWJBQW-UHFFFAOYSA-N -1 0 338.454 3.574 20 0 EHADRM CCC(CC)(C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655584712 1016996375 /nfs/dbraw/zinc/99/63/75/1016996375.db2.gz NFXRKRRGMJUCRY-BHYGNILZSA-N -1 0 345.483 3.996 20 0 EHADRM C[C@@H](NC(=O)NCCCCCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000414599642 1017004286 /nfs/dbraw/zinc/00/42/86/1017004286.db2.gz NCTFXOOKDOLOHO-LLVKDONJSA-N -1 0 346.349 3.711 20 0 EHADRM [O-]C(=Nc1cccc2cc[nH]c21)Nc1nc(-c2ccccc2)ns1 ZINC000547835219 1017015261 /nfs/dbraw/zinc/01/52/61/1017015261.db2.gz UGGBURLLRAHVLK-UHFFFAOYSA-N -1 0 335.392 3.752 20 0 EHADRM CC(C)(C)[C@H]1CCN(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)C1 ZINC000414611676 1017024987 /nfs/dbraw/zinc/02/49/87/1017024987.db2.gz CINPRBDAJNEXON-IRXDYDNUSA-N -1 0 346.471 3.540 20 0 EHADRM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CC[C@@H](Oc2ccccc2)C1 ZINC000659801589 1017043356 /nfs/dbraw/zinc/04/33/56/1017043356.db2.gz HGUNQVWWBSQRKL-IAGOWNOFSA-N -1 0 331.799 3.619 20 0 EHADRM C[C@H](c1ccc(F)cc1)N(C)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000183334919 1032163264 /nfs/dbraw/zinc/16/32/64/1032163264.db2.gz FIWWHBLDAQLGMN-MRVPVSSYSA-N -1 0 327.277 3.782 20 0 EHADRM CC1CCC(N(C(=O)c2cc(F)c(F)c([O-])c2F)C2CC2)CC1 ZINC000183502497 1032176220 /nfs/dbraw/zinc/17/62/20/1032176220.db2.gz JDSMXPOZLYKUMJ-UHFFFAOYSA-N -1 0 327.346 3.993 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ccccc2O)c(Cl)c1Cl ZINC000080923563 1032205846 /nfs/dbraw/zinc/20/58/46/1032205846.db2.gz RKZKTKGUEGSSGY-UHFFFAOYSA-N -1 0 348.207 3.508 20 0 EHADRM CSCc1ccccc1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000184028598 1032225927 /nfs/dbraw/zinc/22/59/27/1032225927.db2.gz NLHLYYXXWDVZJI-UHFFFAOYSA-N -1 0 347.383 3.768 20 0 EHADRM Cc1nc(C)c([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)s1 ZINC000080972181 1032233935 /nfs/dbraw/zinc/23/39/35/1032233935.db2.gz LJQFGSYUJOEAHX-UHFFFAOYSA-N -1 0 337.253 3.868 20 0 EHADRM CC(C)Sc1ccc([C@H](C)NC(=O)N(C)CCCC(=O)[O-])cc1 ZINC000414626715 1017076445 /nfs/dbraw/zinc/07/64/45/1017076445.db2.gz ZZTMGWCQSGKXNX-ZDUSSCGKSA-N -1 0 338.473 3.754 20 0 EHADRM CCOC(=O)c1oc2ncccc2c1Nc1ccc(C(=O)[O-])cc1C ZINC001211616194 1032271629 /nfs/dbraw/zinc/27/16/29/1032271629.db2.gz ANSYOUWMHAXKOC-UHFFFAOYSA-N -1 0 340.335 3.755 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1cc(C)n(-c2ccc(C)cc2)n1 ZINC000538295467 1032276462 /nfs/dbraw/zinc/27/64/62/1032276462.db2.gz ADUVENGBWRQLPM-UHFFFAOYSA-N -1 0 347.465 3.660 20 0 EHADRM O=C(N[C@H]1CCCOc2ccccc21)c1cc(F)c([O-])c(Cl)c1 ZINC000184352329 1032285887 /nfs/dbraw/zinc/28/58/87/1032285887.db2.gz ZUUAGBYVIVAQEL-AWEZNQCLSA-N -1 0 335.762 3.828 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CC[C@@H](Nc2ccccc2)C1 ZINC000184371050 1032287520 /nfs/dbraw/zinc/28/75/20/1032287520.db2.gz TVUJVTSRTBYVTC-CYBMUJFWSA-N -1 0 334.778 3.511 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)Nc1cccc(C2CCOCC2)c1)C(=O)[O-] ZINC000905052988 1032327056 /nfs/dbraw/zinc/32/70/56/1032327056.db2.gz ATAGGOFBYYRMJG-DYVFJYSZSA-N -1 0 348.443 3.592 20 0 EHADRM Cc1nc(C)c(/C=C2/CN(C)Cc3c2nc2ccccc2c3C(=O)[O-])o1 ZINC000905070475 1032340103 /nfs/dbraw/zinc/34/01/03/1032340103.db2.gz XGUMPUUKSQRZOU-JYRVWZFOSA-N -1 0 349.390 3.524 20 0 EHADRM CC(C)(/C=C\Cl)NC(=O)[C@@H](CC(=O)[O-])c1c(F)cccc1Cl ZINC000905134639 1032359842 /nfs/dbraw/zinc/35/98/42/1032359842.db2.gz ASGCRBGGXYKLLG-NMTCXDENSA-N -1 0 348.201 3.685 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccc(OC(F)F)cc1)CC(=O)[O-] ZINC000325052175 1017257890 /nfs/dbraw/zinc/25/78/90/1017257890.db2.gz OHPATNNEWUZEKK-NSHDSACASA-N -1 0 344.358 3.547 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)[C@@H]3CC[C@H](C(=O)[O-])C3)ccc21 ZINC000263034752 1032415675 /nfs/dbraw/zinc/41/56/75/1032415675.db2.gz CKCIFBCQMNBDMO-CABCVRRESA-N -1 0 328.412 3.737 20 0 EHADRM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2cnc3ccsc3c2)c1 ZINC000084460856 1032430124 /nfs/dbraw/zinc/43/01/24/1032430124.db2.gz WRMBAEAYAWCIGX-LLVKDONJSA-N -1 0 348.449 3.805 20 0 EHADRM C[C@@H](NC(=O)NCCCCCC(=O)[O-])c1cc2cccc(F)c2o1 ZINC000414636004 1017085839 /nfs/dbraw/zinc/08/58/39/1017085839.db2.gz CXYZGZFZYBIZBV-LLVKDONJSA-N -1 0 336.363 3.577 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1 ZINC000584412195 1032469135 /nfs/dbraw/zinc/46/91/35/1032469135.db2.gz WYYHJWLQYJCEIF-YOEHRIQHSA-N -1 0 348.443 3.686 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)NCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000414634096 1017096306 /nfs/dbraw/zinc/09/63/06/1017096306.db2.gz WTFKRFGKWQIPEW-ABAIWWIYSA-N -1 0 326.824 3.591 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cncc3ccccc32)c1Cl ZINC000537195489 1032553256 /nfs/dbraw/zinc/55/32/56/1032553256.db2.gz BRFUBFRSVQFZAM-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nc3cc(Cl)ccc3n2C)c(C)c1 ZINC000592974902 1032620637 /nfs/dbraw/zinc/62/06/37/1032620637.db2.gz BJTCGDLWTBGBAV-UHFFFAOYSA-N -1 0 349.843 3.644 20 0 EHADRM CC(C)CN(Cc1ccccc1F)C(=O)NCCCCCC(=O)[O-] ZINC000414623617 1017073891 /nfs/dbraw/zinc/07/38/91/1017073891.db2.gz HTEBNIJUFJPLPB-UHFFFAOYSA-N -1 0 338.423 3.638 20 0 EHADRM O=C(Nc1cccc(Br)c1)c1cc(F)c([O-])c(F)c1 ZINC000183290588 1017265060 /nfs/dbraw/zinc/26/50/60/1017265060.db2.gz LLWQTPMAWSGMCR-UHFFFAOYSA-N -1 0 328.112 3.685 20 0 EHADRM CCn1cnnc1-c1cccc(NC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000183387450 1017310282 /nfs/dbraw/zinc/31/02/82/1017310282.db2.gz RKDLARBWALXMPL-UHFFFAOYSA-N -1 0 342.786 3.576 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000471393345 1017341880 /nfs/dbraw/zinc/34/18/80/1017341880.db2.gz RWDYILQULLJGHO-OAHLLOKOSA-N -1 0 345.468 3.693 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(c2nnc(C3CC3)s2)CC1 ZINC000574043331 1032702130 /nfs/dbraw/zinc/70/21/30/1032702130.db2.gz KHBFLWUWCQGXPH-UHFFFAOYSA-N -1 0 343.452 3.573 20 0 EHADRM Cc1cc(F)cc2[nH]c(C(=O)N[C@H](CC(=O)[O-])C3CCCCC3)cc21 ZINC000537400826 1032702196 /nfs/dbraw/zinc/70/21/96/1032702196.db2.gz HGYMQKKNJPNQLI-OAHLLOKOSA-N -1 0 346.402 3.769 20 0 EHADRM C[C@H](CC(=O)N[C@H](CC(=O)[O-])C1CCCCC1)Cc1cccc(F)c1 ZINC000537403535 1032704981 /nfs/dbraw/zinc/70/49/81/1032704981.db2.gz RDWHJRBBBCQZIQ-KBXCAEBGSA-N -1 0 349.446 3.934 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])C1CCCCC1)Cc1cccc(F)c1 ZINC000537403536 1032706134 /nfs/dbraw/zinc/70/61/34/1032706134.db2.gz RDWHJRBBBCQZIQ-KDOFPFPSSA-N -1 0 349.446 3.934 20 0 EHADRM CCC(CC)c1cc(C(=O)N[C@@H](CC(=O)[O-])C2CCCCC2)on1 ZINC000537404380 1032707452 /nfs/dbraw/zinc/70/74/52/1032707452.db2.gz WHUWZOVQKBUELW-AWEZNQCLSA-N -1 0 336.432 3.732 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCc1cc(Cl)cs1)C1CCCCC1 ZINC000537411772 1032712050 /nfs/dbraw/zinc/71/20/50/1032712050.db2.gz QYXFRGGIMNNFDQ-CQSZACIVSA-N -1 0 343.876 3.874 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2cccc(OC3CCCCC3)c2)o1 ZINC000238135644 1017633890 /nfs/dbraw/zinc/63/38/90/1017633890.db2.gz FTVFYXQNYSUYRO-UHFFFAOYSA-N -1 0 343.379 3.619 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)c1 ZINC000238150242 1017636214 /nfs/dbraw/zinc/63/62/14/1017636214.db2.gz IPASQQLQWCLAGW-VXGBXAGGSA-N -1 0 333.746 3.920 20 0 EHADRM Cc1ccc(Cc2n[n-]c(=NC(=O)N3C[C@H](C)CC3(C)C)s2)cc1 ZINC000472745207 1017693393 /nfs/dbraw/zinc/69/33/93/1017693393.db2.gz DLWIWEJBHABTRY-CYBMUJFWSA-N -1 0 344.484 3.512 20 0 EHADRM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000683631671 1017813282 /nfs/dbraw/zinc/81/32/82/1017813282.db2.gz JJFHCXDSQNQZJL-IONNQARKSA-N -1 0 339.716 3.988 20 0 EHADRM CCN(C(=O)NC[C@H](C)C(=O)[O-])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000655885759 1017857508 /nfs/dbraw/zinc/85/75/08/1017857508.db2.gz TUUOQZARHVVCMT-WDEREUQCSA-N -1 0 346.349 3.519 20 0 EHADRM Cc1ccccc1[C@H](C)N(C)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655906718 1017889005 /nfs/dbraw/zinc/88/90/05/1017889005.db2.gz NGGWBUTVTMEBJI-NXNVCVFFSA-N -1 0 346.471 3.833 20 0 EHADRM Cc1c(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)cccc1C(F)(F)F ZINC000653297897 1018369456 /nfs/dbraw/zinc/36/94/56/1018369456.db2.gz ICMIIQXHANNYEX-OAHLLOKOSA-N -1 0 327.302 3.763 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)Cc1coc(-c2ccccc2C(F)(F)F)n1 ZINC000634692494 1018417135 /nfs/dbraw/zinc/41/71/35/1018417135.db2.gz BTVMFBJVJZTYQU-CYBMUJFWSA-N -1 0 342.317 3.655 20 0 EHADRM CCCCc1cc([N-]S(=O)(=O)c2cccc3ccccc32)n[nH]1 ZINC000471518035 1018479825 /nfs/dbraw/zinc/47/98/25/1018479825.db2.gz LAUNAHILFFHUNJ-UHFFFAOYSA-N -1 0 329.425 3.706 20 0 EHADRM C[C@H](Nc1ncnc2[nH]c3ccccc3c21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656093567 1018521884 /nfs/dbraw/zinc/52/18/84/1018521884.db2.gz WXEWLOJIYJOODA-WCFLWFBJSA-N -1 0 338.411 3.658 20 0 EHADRM Cc1nc(N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)ccc1Br ZINC000656091907 1018523940 /nfs/dbraw/zinc/52/39/40/1018523940.db2.gz JZDJVQAMVPIDFN-DVVUODLYSA-N -1 0 341.249 3.700 20 0 EHADRM O=C([O-])C1(CC(=O)NCCCCc2ccc(Cl)s2)CCCC1 ZINC000340579633 1018569445 /nfs/dbraw/zinc/56/94/45/1018569445.db2.gz DRVODNLQUWLFDC-UHFFFAOYSA-N -1 0 343.876 3.876 20 0 EHADRM COCCN(Cc1ccc(C)o1)Cc1cccc(C(=O)[O-])c1Cl ZINC000580084615 1018619819 /nfs/dbraw/zinc/61/98/19/1018619819.db2.gz YBGAKFGVKMWYGM-UHFFFAOYSA-N -1 0 337.803 3.588 20 0 EHADRM Cc1oc([C@H](C)N(C)Cc2ccc(Br)o2)cc1C(=O)[O-] ZINC000580084933 1018622478 /nfs/dbraw/zinc/62/24/78/1018622478.db2.gz FVSXDNLLLDYSMG-QMMMGPOBSA-N -1 0 342.189 3.835 20 0 EHADRM CC(C)n1ncc2c1nc(/C=C\c1ccc(O)c(F)c1)cc2C(=O)[O-] ZINC000580111401 1018656447 /nfs/dbraw/zinc/65/64/47/1018656447.db2.gz SRFOXMNKGCNHRC-HYXAFXHYSA-N -1 0 341.342 3.726 20 0 EHADRM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@H]1CC[C@@H]1C(=O)[O-] ZINC000261960305 1018721797 /nfs/dbraw/zinc/72/17/97/1018721797.db2.gz AOXBIHLYVAVVJR-ZHAHWJHGSA-N -1 0 330.211 3.624 20 0 EHADRM O=S(=O)([O-])c1cc(Cl)ccc1Nc1ccccc1OC1CC1 ZINC001210842466 1018847391 /nfs/dbraw/zinc/84/73/91/1018847391.db2.gz QWMJMXJEMRTSCK-UHFFFAOYSA-N -1 0 339.800 3.872 20 0 EHADRM CC(=C([O-])c1cc(C)c(C)cc1C)S(=O)(=O)Cc1ccccc1 ZINC000516866922 1018984127 /nfs/dbraw/zinc/98/41/27/1018984127.db2.gz ARBKWBVRUPVJCV-MRXNPFEDSA-N -1 0 330.449 3.798 20 0 EHADRM CSc1ccc(Cl)cc1[N-]S(=O)(=O)c1sc(C)nc1C ZINC000433508807 1019027994 /nfs/dbraw/zinc/02/79/94/1019027994.db2.gz YNOKOMZRYJHLIC-UHFFFAOYSA-N -1 0 348.902 3.936 20 0 EHADRM O=C([O-])c1nc(C(=O)N2CCCCC[C@@H]2c2ccccc2)cs1 ZINC000909404569 1019083998 /nfs/dbraw/zinc/08/39/98/1019083998.db2.gz NMKUSXHUQSEYMY-CQSZACIVSA-N -1 0 330.409 3.599 20 0 EHADRM C[C@@]12CCN(Cc3coc(-c4ccc(C(=O)[O-])cc4)n3)C[C@@H]1C2(F)F ZINC000580347699 1019123856 /nfs/dbraw/zinc/12/38/56/1019123856.db2.gz GQRFIRMVKNQRNH-WMLDXEAASA-N -1 0 348.349 3.517 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NCc1cn(C)nc1-c1cccs1 ZINC000340673646 1019152508 /nfs/dbraw/zinc/15/25/08/1019152508.db2.gz JZNYZUDFRQKCSX-UHFFFAOYSA-N -1 0 327.409 3.767 20 0 EHADRM COc1cc(C(=O)[O-])cc(NCc2cc3ccc(F)cc3[nH]2)c1OC ZINC000340679738 1019206569 /nfs/dbraw/zinc/20/65/69/1019206569.db2.gz MWWSUDLDNQXHIZ-UHFFFAOYSA-N -1 0 344.342 3.635 20 0 EHADRM Cn1ccc2cccc([N-]S(=O)(=O)c3cc(F)ccc3Cl)c21 ZINC000471568582 1019220895 /nfs/dbraw/zinc/22/08/95/1019220895.db2.gz BHKGLCXIQIEONU-UHFFFAOYSA-N -1 0 338.791 3.772 20 0 EHADRM Cc1ccc(C)c(NC(=O)[C@H](C)OC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000729238023 1019244258 /nfs/dbraw/zinc/24/42/58/1019244258.db2.gz RMABTUBFWZSWFI-LBPRGKRZSA-N -1 0 347.798 3.846 20 0 EHADRM O=C([O-])CN(C(=O)Nc1ccc(F)c(Cl)c1)C1CCCCC1 ZINC000683922517 1019252774 /nfs/dbraw/zinc/25/27/74/1019252774.db2.gz REOPKRIDHJGWBJ-UHFFFAOYSA-N -1 0 328.771 3.730 20 0 EHADRM CC[C@H](c1n[n-]c(=NC(=O)N2CCC=C(C)C2)s1)c1ccccc1 ZINC000580396647 1019270771 /nfs/dbraw/zinc/27/07/71/1019270771.db2.gz YSKNQJWRMCEFRJ-HNNXBMFYSA-N -1 0 342.468 3.686 20 0 EHADRM Cc1nc(=NC(=O)c2cccnc2SCC2CCCCC2)s[n-]1 ZINC000333341073 1019277225 /nfs/dbraw/zinc/27/72/25/1019277225.db2.gz SUSJWZCGGWCRPY-UHFFFAOYSA-N -1 0 348.497 3.588 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)N1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000580435124 1019363428 /nfs/dbraw/zinc/36/34/28/1019363428.db2.gz ZUDPWTVCYJPZKK-QLJPJBMISA-N -1 0 341.860 3.635 20 0 EHADRM COc1csc(C(=O)N=c2[n-]nc(-c3cc(C)cc(C)c3)s2)c1 ZINC000473523495 1019376359 /nfs/dbraw/zinc/37/63/59/1019376359.db2.gz MIMSMWYMLNIDAK-UHFFFAOYSA-N -1 0 345.449 3.566 20 0 EHADRM CC(C)(C)c1cccc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)c1 ZINC000656231901 1019473666 /nfs/dbraw/zinc/47/36/66/1019473666.db2.gz HRCGOZXRHLRUGI-AWEZNQCLSA-N -1 0 331.437 3.991 20 0 EHADRM CO[C@@H](C)c1nc(=NC[C@H](Cc2ccccc2)C(F)(F)F)s[n-]1 ZINC000580493585 1019480524 /nfs/dbraw/zinc/48/05/24/1019480524.db2.gz KOAVDOANDMKVMY-JQWIXIFHSA-N -1 0 345.390 3.501 20 0 EHADRM Cc1cc(C(=O)NC[C@H](C)CC(=O)[O-])c(C)n1[C@@H](C)c1ccccc1 ZINC000262214767 1019564575 /nfs/dbraw/zinc/56/45/75/1019564575.db2.gz LLTBFYVUEKNESO-HIFRSBDPSA-N -1 0 342.439 3.555 20 0 EHADRM C[C@H]1CCN(C(=O)Cc2cccc(C(=O)[O-])c2)[C@@H](c2ccco2)C1 ZINC000262240508 1019572753 /nfs/dbraw/zinc/57/27/53/1019572753.db2.gz XYOHBPQVXKICDQ-XJKSGUPXSA-N -1 0 327.380 3.520 20 0 EHADRM Cc1c(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)c2ccccc2n1C ZINC000340725603 1019616568 /nfs/dbraw/zinc/61/65/68/1019616568.db2.gz GSWOBUIMLJVFCD-UHFFFAOYSA-N -1 0 339.420 3.769 20 0 EHADRM Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)s1 ZINC000433807901 1019633368 /nfs/dbraw/zinc/63/33/68/1019633368.db2.gz MHJSESBFRGMPNM-UHFFFAOYSA-N -1 0 337.253 3.868 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)N[C@@H](C)CC(C)(C)c1ccccc1)C1CCC1 ZINC000580614338 1019751293 /nfs/dbraw/zinc/75/12/93/1019751293.db2.gz XCJGSXPNBGMOKT-LSDHHAIUSA-N -1 0 346.471 3.780 20 0 EHADRM COc1c(Cl)cc(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)cc1Cl ZINC000650290793 1019786115 /nfs/dbraw/zinc/78/61/15/1019786115.db2.gz YAWFURUZFGGCBF-OAHLLOKOSA-N -1 0 344.194 3.752 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(C3CCCCC3)cc2)CC[C@@H]1C(=O)[O-] ZINC000263015404 1019789837 /nfs/dbraw/zinc/78/98/37/1019789837.db2.gz PVSBYQKLLGRRBK-KDOFPFPSSA-N -1 0 329.440 3.917 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(C3CCCCC3)cc2)CC[C@@H]1C(=O)[O-] ZINC000263015407 1019791000 /nfs/dbraw/zinc/79/10/00/1019791000.db2.gz PVSBYQKLLGRRBK-KSSFIOAISA-N -1 0 329.440 3.917 20 0 EHADRM CCC[C@@H](CNC(=O)CCCCc1nc2ccccc2s1)C(=O)[O-] ZINC000263224350 1019844468 /nfs/dbraw/zinc/84/44/68/1019844468.db2.gz RGCDHZLLRDVJOQ-ZDUSSCGKSA-N -1 0 348.468 3.626 20 0 EHADRM CCCOc1ccc(NC(=O)NO[C@H]2CCCCO2)cc1Cl ZINC000155822398 1019892591 /nfs/dbraw/zinc/89/25/91/1019892591.db2.gz BEFBSFBXSYLUKL-AWEZNQCLSA-N -1 0 328.796 3.709 20 0 EHADRM Cc1cc(C(=O)N[C@H](C)[C@@H](C)C(=O)[O-])c(C)n1[C@H](C)c1ccccc1 ZINC000263439073 1019904198 /nfs/dbraw/zinc/90/41/98/1019904198.db2.gz MADHTMOXNPTGGT-RBSFLKMASA-N -1 0 342.439 3.553 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2cc(C)ccc2Cl)n1 ZINC000580737804 1019940936 /nfs/dbraw/zinc/94/09/36/1019940936.db2.gz LUEVCQNEFCXQCI-UHFFFAOYSA-N -1 0 328.846 3.566 20 0 EHADRM Cc1ccccc1[C@@]1(F)CCN(C(=O)c2c([O-])cc(F)cc2F)C1 ZINC000669743352 1032865947 /nfs/dbraw/zinc/86/59/47/1032865947.db2.gz FNZRRNPPEMDVRJ-GOSISDBHSA-N -1 0 335.325 3.690 20 0 EHADRM O=S(=O)([N-]c1cc2c(cn1)CCCC2)c1ccc(C(F)F)cc1 ZINC000580866953 1020159737 /nfs/dbraw/zinc/15/97/37/1020159737.db2.gz VOODSTIIYUCSPX-UHFFFAOYSA-N -1 0 338.379 3.699 20 0 EHADRM Fc1cccc2c1SCC[C@H]2N=c1nc(C(F)(F)F)[n-]s1 ZINC000580908855 1020215009 /nfs/dbraw/zinc/21/50/09/1020215009.db2.gz IAVWFDANXGQSRR-MRVPVSSYSA-N -1 0 335.351 3.767 20 0 EHADRM COc1cc(S(=O)(=O)[N-]c2ncsc2C(C)C)ccc1Cl ZINC000580999264 1020343243 /nfs/dbraw/zinc/34/32/43/1020343243.db2.gz SAJMBLJKHWBREU-UHFFFAOYSA-N -1 0 346.861 3.729 20 0 EHADRM C[C@H](C(=O)Nc1cc(Cl)c([O-])cc1F)n1cnc2ccccc21 ZINC000345599820 1020393216 /nfs/dbraw/zinc/39/32/16/1020393216.db2.gz CLFBFPOVFUVPRX-SECBINFHSA-N -1 0 333.750 3.734 20 0 EHADRM COc1ccc2c(c1)[C@H](C(=O)Nc1cc(Cl)c([O-])cc1F)CC2 ZINC000345633255 1020405758 /nfs/dbraw/zinc/40/57/58/1020405758.db2.gz UFMJNJUHMDYZBP-LLVKDONJSA-N -1 0 335.762 3.862 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cnn(Cc2ccccc2)c1 ZINC000345668553 1020417929 /nfs/dbraw/zinc/41/79/29/1020417929.db2.gz ZNFHYNTVDFYRAD-UHFFFAOYSA-N -1 0 345.761 3.682 20 0 EHADRM COc1cccc2c1OCC(C(=O)Nc1cc(Cl)c([O-])cc1F)=C2 ZINC000345655690 1020428664 /nfs/dbraw/zinc/42/86/64/1020428664.db2.gz YTRGYARZPKHMHE-UHFFFAOYSA-N -1 0 349.745 3.608 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cnc(-c2ccncc2)s1 ZINC000345654470 1020428718 /nfs/dbraw/zinc/42/87/18/1020428718.db2.gz YDRFXUZOOLVIDW-UHFFFAOYSA-N -1 0 349.774 3.956 20 0 EHADRM Cc1nc(Cl)nc(Cl)c1Nc1c(F)cc(C(=O)[O-])cc1F ZINC001215610019 1020444470 /nfs/dbraw/zinc/44/44/70/1020444470.db2.gz ZDFWHPWMCDLFOI-UHFFFAOYSA-N -1 0 334.109 3.812 20 0 EHADRM CC(C)(C)c1cnc(CNC(=O)c2cccc(C(F)(F)F)c2[O-])o1 ZINC000581139687 1020467635 /nfs/dbraw/zinc/46/76/35/1020467635.db2.gz FUKAQZSOZXPBRI-UHFFFAOYSA-N -1 0 342.317 3.627 20 0 EHADRM O=C([O-])[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)C1CCCCC1 ZINC000345812159 1020538697 /nfs/dbraw/zinc/53/86/97/1020538697.db2.gz SZVBYAKVDHSRIG-AWEZNQCLSA-N -1 0 344.238 3.686 20 0 EHADRM Cc1cc(NC(=O)c2ccn(C3CCCC3)n2)cc(C(=O)[O-])c1C ZINC000345864149 1020559408 /nfs/dbraw/zinc/55/94/08/1020559408.db2.gz MBAAUBDVSPJSGZ-UHFFFAOYSA-N -1 0 327.384 3.566 20 0 EHADRM O=C([O-])c1sc2ccsc2c1CNC(=O)CCC(F)(F)F ZINC000345900525 1020598978 /nfs/dbraw/zinc/59/89/78/1020598978.db2.gz IJRPGJTVCVKLGS-UHFFFAOYSA-N -1 0 337.344 3.620 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1ccc2sccc2c1)Cc1ccccc1 ZINC000345941493 1020607420 /nfs/dbraw/zinc/60/74/20/1020607420.db2.gz QYFGJAOTOHHCHF-INIZCTEOSA-N -1 0 339.416 3.575 20 0 EHADRM O=C(N=c1[n-]nc(-c2cccc(Cl)c2)s1)N1CC(C2CCC2)C1 ZINC000581269597 1020612442 /nfs/dbraw/zinc/61/24/42/1020612442.db2.gz YMZPKARLGIGXKR-UHFFFAOYSA-N -1 0 348.859 3.544 20 0 EHADRM CC(C)(CC(=O)N(CCc1ccc(Cl)cc1)CC1CC1)C(=O)[O-] ZINC000581274761 1020617146 /nfs/dbraw/zinc/61/71/46/1020617146.db2.gz KIXRYABRJJLBGS-UHFFFAOYSA-N -1 0 337.847 3.622 20 0 EHADRM O=C([O-])C12CC(C1)CN2C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000656506294 1020765109 /nfs/dbraw/zinc/76/51/09/1020765109.db2.gz UPQGZYWFJIBJCE-UHFFFAOYSA-N -1 0 346.452 3.802 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)N[C@](C)(CCF)C(=O)[O-])ccc21 ZINC000656506843 1020768944 /nfs/dbraw/zinc/76/89/44/1020768944.db2.gz ZUPUZCLNAIHEHH-GOSISDBHSA-N -1 0 349.406 3.622 20 0 EHADRM Cc1ccccc1S([O-])=CC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000108088205 1020780222 /nfs/dbraw/zinc/78/02/22/1020780222.db2.gz JGAHEYCJYPNQGI-AUSIDOKSSA-N -1 0 329.465 3.616 20 0 EHADRM COc1cccc(Cl)c1CN=c1[n-]nc(-c2ccccc2C)o1 ZINC000581402417 1020802515 /nfs/dbraw/zinc/80/25/15/1020802515.db2.gz JYAKPLLEWYFSSD-UHFFFAOYSA-N -1 0 329.787 3.741 20 0 EHADRM C/C=C/c1ccc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)cc1 ZINC000341049163 1020920753 /nfs/dbraw/zinc/92/07/53/1020920753.db2.gz PRXDIWJCULQMOS-AATRIKPKSA-N -1 0 349.408 3.517 20 0 EHADRM C[C@H](c1ccccc1)[C@H](NCc1csc(C(C)(C)C)n1)C(=O)[O-] ZINC000656569290 1020930650 /nfs/dbraw/zinc/93/06/50/1020930650.db2.gz NPMAMXKFUPMNTM-DOMZBBRYSA-N -1 0 332.469 3.787 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)NCc1ccc(-c2cccs2)cc1)C1CC1 ZINC000656591360 1020966906 /nfs/dbraw/zinc/96/69/06/1020966906.db2.gz YWTPVTAXRKBEHJ-GFCCVEGCSA-N -1 0 344.436 3.562 20 0 EHADRM Cc1ccsc1CCCC(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000439123341 1021167298 /nfs/dbraw/zinc/16/72/98/1021167298.db2.gz JOTKZGUXENQCCH-UHFFFAOYSA-N -1 0 343.477 3.958 20 0 EHADRM Cc1nc(=NC(=O)C2(Sc3ccc(C)cc3)CCCC2)s[n-]1 ZINC000430620118 1021196926 /nfs/dbraw/zinc/19/69/26/1021196926.db2.gz HGEZJKHXPFFMRR-UHFFFAOYSA-N -1 0 333.482 3.620 20 0 EHADRM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2cc(C(C)C)[nH]n2)c1 ZINC000656727895 1021213923 /nfs/dbraw/zinc/21/39/23/1021213923.db2.gz MFXPOIPFSSIKLP-GFCCVEGCSA-N -1 0 337.445 3.511 20 0 EHADRM CCC[C@@H](C)[C@H]1CCCN1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000427207391 1021214481 /nfs/dbraw/zinc/21/44/81/1021214481.db2.gz VQCNURLJQCRRGY-UKRRQHHQSA-N -1 0 345.418 3.758 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2c[nH]cc2-c2ccccc2F)c1 ZINC000436799142 1021221946 /nfs/dbraw/zinc/22/19/46/1021221946.db2.gz XDDFVUAJSUOLFM-UHFFFAOYSA-N -1 0 338.338 3.981 20 0 EHADRM CCCOC(=O)c1ccc(NC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000319879768 1021229334 /nfs/dbraw/zinc/22/93/34/1021229334.db2.gz UJTIKTIYAXFTBL-UHFFFAOYSA-N -1 0 333.771 3.865 20 0 EHADRM Cn1cnc2cc(/C=C(\CC(=O)[O-])c3nc4ccccc4o3)ccc21 ZINC000341269544 1021243942 /nfs/dbraw/zinc/24/39/42/1021243942.db2.gz LOGQUZYRJODKTM-MDWZMJQESA-N -1 0 333.347 3.730 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1ccccc1Oc1ccccc1 ZINC000507428734 1021259431 /nfs/dbraw/zinc/25/94/31/1021259431.db2.gz ZWNXKQKXTTZVIT-IAOVAPTHSA-N -1 0 339.391 3.767 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(F)c(F)c(F)c2F)c1 ZINC000436830260 1021263084 /nfs/dbraw/zinc/26/30/84/1021263084.db2.gz CUJYBQLGBKBLAB-UHFFFAOYSA-N -1 0 341.260 3.794 20 0 EHADRM CC(=O)c1ccsc1[N-]S(=O)(=O)c1c(C)cc(F)cc1C ZINC000427292902 1021285345 /nfs/dbraw/zinc/28/53/45/1021285345.db2.gz VUSRJUGGVSFRNK-UHFFFAOYSA-N -1 0 327.402 3.507 20 0 EHADRM CO[C@H]1C[C@@H](N(C)C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])C1 ZINC000436848061 1021291447 /nfs/dbraw/zinc/29/14/47/1021291447.db2.gz MRESXEQEJFCVJA-GASCZTMLSA-N -1 0 345.826 3.962 20 0 EHADRM O=C(NC1(Cc2ccc(Cl)cc2)CCC1)C(=O)c1ccc(O)cc1 ZINC000436850459 1021293913 /nfs/dbraw/zinc/29/39/13/1021293913.db2.gz HLZSBANGAOQMBS-UHFFFAOYSA-N -1 0 343.810 3.510 20 0 EHADRM CC(C)Oc1ccc(NC(=O)CC2(C(=O)[O-])CCCCC2)cc1C#N ZINC000151345166 1021294220 /nfs/dbraw/zinc/29/42/20/1021294220.db2.gz SRFLTPFAJLGQOL-UHFFFAOYSA-N -1 0 344.411 3.709 20 0 EHADRM O=C([O-])c1ccc2oc(/C=C/c3cnn(Cc4ccccc4)c3)nc2c1 ZINC000439268033 1021295340 /nfs/dbraw/zinc/29/53/40/1021295340.db2.gz FLXMUIBYOLVLEJ-RMKNXTFCSA-N -1 0 345.358 3.941 20 0 EHADRM COc1ccc(C)cc1[C@@H](C)NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436865301 1021304746 /nfs/dbraw/zinc/30/47/46/1021304746.db2.gz RBNUTALDJGKNJL-SNVBAGLBSA-N -1 0 337.778 3.993 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)Cc2cccc(C(F)(F)F)c2)c1 ZINC000436868718 1021307897 /nfs/dbraw/zinc/30/78/97/1021307897.db2.gz IIJOLEFWHBHVFQ-UHFFFAOYSA-N -1 0 337.297 3.795 20 0 EHADRM COc1ccc(/C=C\c2nc3ccc(C(=O)[O-])cc3o2)c(OC)c1 ZINC000439278756 1021316121 /nfs/dbraw/zinc/31/61/21/1021316121.db2.gz QFICBMNMMVGLHE-YVMONPNESA-N -1 0 325.320 3.714 20 0 EHADRM COc1cccc(OC)c1/C=C/c1nc2cc(C(=O)[O-])ccc2o1 ZINC000439279833 1021316564 /nfs/dbraw/zinc/31/65/64/1021316564.db2.gz WEROHRFMJBJXGQ-VQHVLOKHSA-N -1 0 325.320 3.714 20 0 EHADRM C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc([O-])c(Cl)c1 ZINC000436916250 1021372495 /nfs/dbraw/zinc/37/24/95/1021372495.db2.gz VIRXWKRNMOAHKD-GTNSWQLSSA-N -1 0 331.799 3.510 20 0 EHADRM CSCc1cccnc1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000436924558 1021385364 /nfs/dbraw/zinc/38/53/64/1021385364.db2.gz WYYHSWXVKNWDFH-UHFFFAOYSA-N -1 0 326.780 3.695 20 0 EHADRM Cc1c(NC(=O)c2c([O-])cccc2F)cnn1-c1ccc(Cl)cc1 ZINC000436935375 1021397302 /nfs/dbraw/zinc/39/73/02/1021397302.db2.gz WLHKSYPXIHXOLL-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM CN(C)c1ccc(-c2noc(-c3cc(Cl)ccc3[O-])n2)cc1F ZINC000436937137 1021398560 /nfs/dbraw/zinc/39/85/60/1021398560.db2.gz DIURVEDEUHKBNM-UHFFFAOYSA-N -1 0 333.750 3.968 20 0 EHADRM C[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000436943578 1021406523 /nfs/dbraw/zinc/40/65/23/1021406523.db2.gz MQBRXNQUBKWQTK-YMNVWFMLSA-N -1 0 349.789 3.868 20 0 EHADRM Oc1ccc(-c2noc(COc3cc(F)cc(F)c3)n2)c(Cl)c1 ZINC000436957213 1021421381 /nfs/dbraw/zinc/42/13/81/1021421381.db2.gz WRLQZLOHJGSAAF-UHFFFAOYSA-N -1 0 338.697 3.953 20 0 EHADRM COCC1(CCNC(=O)c2c([O-])cc(Cl)cc2Cl)CCC1 ZINC000436974345 1021427894 /nfs/dbraw/zinc/42/78/94/1021427894.db2.gz YAHCNMPXJNABDK-UHFFFAOYSA-N -1 0 332.227 3.636 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1cnc(Br)c(F)c1 ZINC001211621029 1032979382 /nfs/dbraw/zinc/97/93/82/1032979382.db2.gz RYWGCMHJFFHHNB-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)NC[C@H]1CCCC(F)(F)C1)C1CCCCC1 ZINC000507691181 1021444417 /nfs/dbraw/zinc/44/44/17/1021444417.db2.gz DNCYQQZALLYPNY-GUYCJALGSA-N -1 0 345.430 3.989 20 0 EHADRM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1c([O-])cccc1F)[C@H]2C ZINC000436992491 1021449066 /nfs/dbraw/zinc/44/90/66/1021449066.db2.gz ZLCXVRIDEJCKDE-NEPJUHHUSA-N -1 0 329.371 3.688 20 0 EHADRM COCc1ccc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc1C(F)(F)F ZINC000656854467 1021479710 /nfs/dbraw/zinc/47/97/10/1021479710.db2.gz DKGBJBVLFBMDQE-GFCCVEGCSA-N -1 0 347.333 3.537 20 0 EHADRM CCCc1nc(C)c(C(=O)N[C@H](CC(=O)[O-])C2CCCCC2)s1 ZINC000345990991 1021482451 /nfs/dbraw/zinc/48/24/51/1021482451.db2.gz ZJCYGKCZLIAPJY-CYBMUJFWSA-N -1 0 338.473 3.557 20 0 EHADRM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000276493529 1021489189 /nfs/dbraw/zinc/48/91/89/1021489189.db2.gz OEMNQCIQHCALGT-SNVBAGLBSA-N -1 0 339.716 3.988 20 0 EHADRM CCCn1ccc2ccc(NC(=O)N3CC[C@@H](C)C[C@H]3C(=O)[O-])cc21 ZINC000516531908 1021518374 /nfs/dbraw/zinc/51/83/74/1021518374.db2.gz VSJZXQSAEJTVQD-DYVFJYSZSA-N -1 0 343.427 3.768 20 0 EHADRM O=S(=O)([N-]c1ccc2ncsc2c1)c1cnc2ccsc2c1 ZINC000439579387 1021576256 /nfs/dbraw/zinc/57/62/56/1021576256.db2.gz YIDFOSDBQRJYIZ-UHFFFAOYSA-N -1 0 347.446 3.707 20 0 EHADRM CC(C)=C[C@H]1[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(F)c(F)c2)C1(C)C ZINC000048617373 1021586590 /nfs/dbraw/zinc/58/65/90/1021586590.db2.gz OWKCRIAUCRMKPZ-FZMZJTMJSA-N -1 0 343.395 3.848 20 0 EHADRM CCCc1nc(=NC(=O)N(C)Cc2ccc(C(C)C)cc2)s[n-]1 ZINC000579042201 1021594044 /nfs/dbraw/zinc/59/40/44/1021594044.db2.gz KLTCPERVJIUNGW-UHFFFAOYSA-N -1 0 332.473 3.700 20 0 EHADRM CCCCCc1nnc([N-]S(=O)(=O)c2ccc(F)c(C)c2)s1 ZINC000437168207 1021606502 /nfs/dbraw/zinc/60/65/02/1021606502.db2.gz PWOUFFVZWOQEFH-UHFFFAOYSA-N -1 0 343.449 3.519 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)s[n-]1 ZINC000426463863 1021649311 /nfs/dbraw/zinc/64/93/11/1021649311.db2.gz VGEJDDIHQZDOJW-HTQZYQBOSA-N -1 0 341.889 3.715 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccc(-c2ccccc2)cn1 ZINC000437400824 1021795558 /nfs/dbraw/zinc/79/55/58/1021795558.db2.gz QHCZMKFRLOXYCV-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000439897003 1021812150 /nfs/dbraw/zinc/81/21/50/1021812150.db2.gz RUCKHOZITIDHLV-OAHLLOKOSA-N -1 0 335.762 3.733 20 0 EHADRM CCSc1ccc(C(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000439917795 1021826378 /nfs/dbraw/zinc/82/63/78/1021826378.db2.gz JBJPGLUJCHJSSK-UHFFFAOYSA-N -1 0 333.409 3.670 20 0 EHADRM CCSc1ccc(C(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])cc1 ZINC000439935732 1021844903 /nfs/dbraw/zinc/84/49/03/1021844903.db2.gz UNTXWNCTBHIFAH-HZPDHXFCSA-N -1 0 335.469 3.952 20 0 EHADRM CCCOc1ccc(NC(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000439985438 1021865265 /nfs/dbraw/zinc/86/52/65/1021865265.db2.gz UYNICSXRYNCZPP-UHFFFAOYSA-N -1 0 327.380 3.745 20 0 EHADRM C[C@H]1CC[C@@H](N(C)C(=O)c2cc(F)cc(Br)c2[O-])C1 ZINC000416225769 1021881274 /nfs/dbraw/zinc/88/12/74/1021881274.db2.gz TVHYNLFOIFQZLA-WCBMZHEXSA-N -1 0 330.197 3.554 20 0 EHADRM CC(C)Cn1nccc1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000516972647 1021903670 /nfs/dbraw/zinc/90/36/70/1021903670.db2.gz IKKCQGXAYHUKQV-UHFFFAOYSA-N -1 0 328.199 3.804 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000909416103 1021940432 /nfs/dbraw/zinc/94/04/32/1021940432.db2.gz VGPADJGQJHHKRL-GOSISDBHSA-N -1 0 345.370 3.707 20 0 EHADRM CCc1nc(=NCc2ccccc2COCc2ccccc2)s[n-]1 ZINC000426568471 1021942649 /nfs/dbraw/zinc/94/26/49/1021942649.db2.gz QEKYJOFQYJLDOC-UHFFFAOYSA-N -1 0 339.464 3.851 20 0 EHADRM CCCOc1ccc(C(=O)[O-])cc1NC(=O)N(C)Cc1ccccc1 ZINC000548267271 1021966953 /nfs/dbraw/zinc/96/69/53/1021966953.db2.gz ZZYYLXLDEQAKBG-UHFFFAOYSA-N -1 0 342.395 3.838 20 0 EHADRM O=C([O-])C1(CC(=O)NCc2c(Cl)cccc2Cl)CCCC1 ZINC000520159092 1021973910 /nfs/dbraw/zinc/97/39/10/1021973910.db2.gz JKFSFTXSDPEJIK-UHFFFAOYSA-N -1 0 330.211 3.645 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1cccc2cccnc21 ZINC000188300913 1021995919 /nfs/dbraw/zinc/99/59/19/1021995919.db2.gz PFPOVKCUWKYJHB-UHFFFAOYSA-N -1 0 330.434 3.758 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)Nc1ccc(OCCC(C)C)cc1)C1CC1 ZINC000517068866 1021995952 /nfs/dbraw/zinc/99/59/52/1021995952.db2.gz RRCWBODHQOVZMB-KRWDZBQOSA-N -1 0 348.443 3.971 20 0 EHADRM COc1cccc(Oc2ccc([N-]S(=O)(=O)c3ccco3)cc2)c1 ZINC000437689580 1022058579 /nfs/dbraw/zinc/05/85/79/1022058579.db2.gz WYODDWAASCZWMI-UHFFFAOYSA-N -1 0 345.376 3.881 20 0 EHADRM CC(C)(CC(=O)N(CCc1ccccc1)Cc1ccccc1)C(=O)[O-] ZINC000310476877 1022071411 /nfs/dbraw/zinc/07/14/11/1022071411.db2.gz UABOPVQAZVQVTG-UHFFFAOYSA-N -1 0 339.435 3.759 20 0 EHADRM CCCN=c1[n-]nc(SCc2cccc(OC(C)(C)C)n2)s1 ZINC000506818616 1022085587 /nfs/dbraw/zinc/08/55/87/1022085587.db2.gz FYBNQNVVUSFBDI-UHFFFAOYSA-N -1 0 338.502 3.647 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(CNCc2nc(C(=O)[O-])cs2)o1 ZINC000426641003 1022124110 /nfs/dbraw/zinc/12/41/10/1022124110.db2.gz XAAKFMULSREQAT-UHFFFAOYSA-N -1 0 346.383 3.839 20 0 EHADRM Cc1nc(CNCc2csc(-c3cccs3)n2)ccc1C(=O)[O-] ZINC000426651881 1022148438 /nfs/dbraw/zinc/14/84/38/1022148438.db2.gz PTRFRBFPFJIIQJ-UHFFFAOYSA-N -1 0 345.449 3.563 20 0 EHADRM Cc1ccc(O)c(NC(=O)c2cnc(-c3ccc(F)c(F)c3)s2)n1 ZINC000345975343 1022181455 /nfs/dbraw/zinc/18/14/55/1022181455.db2.gz GCXJIMIQOXXYIX-UHFFFAOYSA-N -1 0 347.346 3.750 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(Cl)c(F)c1 ZINC000574307545 1033034675 /nfs/dbraw/zinc/03/46/75/1033034675.db2.gz GONGLBUPQGWTTH-LIBKGXAOSA-N -1 0 339.794 3.547 20 0 EHADRM CC[C@H]1CCC[C@@H](NC(=O)N=c2[n-]nc(Cc3ccccc3)s2)C1 ZINC000607193991 1033036044 /nfs/dbraw/zinc/03/60/44/1033036044.db2.gz FANDBEWJQFYPFR-DZGCQCFKSA-N -1 0 344.484 3.641 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N2CCCC[C@H]2Cc2ccccc2)CC1 ZINC000520412279 1022214118 /nfs/dbraw/zinc/21/41/18/1022214118.db2.gz RPUBBQGSNVGMHW-ACBHZAAOSA-N -1 0 343.467 3.891 20 0 EHADRM Brc1ccc2[nH]c3c(c2c1)CCC[C@H]3N=c1[n-]ncs1 ZINC000519521743 1022237099 /nfs/dbraw/zinc/23/70/99/1022237099.db2.gz DLJGQVXIWSAPKE-GFCCVEGCSA-N -1 0 349.257 3.693 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCCCC[C@H]1[C@@H]1CCCCC1=O ZINC000187840866 1022254153 /nfs/dbraw/zinc/25/41/53/1022254153.db2.gz DCQDSVVAVDOKRA-ZFWWWQNUSA-N -1 0 333.403 3.675 20 0 EHADRM Cc1cc(S(=O)(=O)N[C@H](C)CCc2ccco2)sc1Cl ZINC000473908122 1022258256 /nfs/dbraw/zinc/25/82/56/1022258256.db2.gz CVDFLLJOLHMQIG-SNVBAGLBSA-N -1 0 333.862 3.603 20 0 EHADRM Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccsc2)c1 ZINC000188449606 1022431942 /nfs/dbraw/zinc/43/19/42/1022431942.db2.gz ZZAJKVLJDYRXHE-UHFFFAOYSA-N -1 0 332.244 3.620 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC[C@@H](C)C3)n2)cc1 ZINC000124070432 1022445582 /nfs/dbraw/zinc/44/55/82/1022445582.db2.gz ULKQPAMJBXBPJP-CQSZACIVSA-N -1 0 327.428 3.573 20 0 EHADRM CCc1[nH]nc([N-]S(=O)(=O)c2ccc(C(C)(C)CC)cc2)c1C ZINC000438243827 1022498879 /nfs/dbraw/zinc/49/88/79/1022498879.db2.gz BMPMMUOBZCZSKW-UHFFFAOYSA-N -1 0 335.473 3.769 20 0 EHADRM O[C@H]1CC[C@@H](CN=c2[n-]nc(-c3cc(Cl)cc(Cl)c3)s2)C1 ZINC000473704958 1022565000 /nfs/dbraw/zinc/56/50/00/1022565000.db2.gz IHEYLHWZTDAFGK-PELKAZGASA-N -1 0 344.267 3.507 20 0 EHADRM CC[C@H]1CC[C@@H](C(=O)Nc2cc(Br)cc(Cl)c2[O-])O1 ZINC000330516525 1022594815 /nfs/dbraw/zinc/59/48/15/1022594815.db2.gz WNCNTINVUXKCND-KWQFWETISA-N -1 0 348.624 3.704 20 0 EHADRM C[C@@H](NC(=O)c1cc2cc(Cl)ccc2o1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655582060 1022704339 /nfs/dbraw/zinc/70/43/39/1022704339.db2.gz GQQNLOYQEPOLSG-JIMOISOXSA-N -1 0 349.814 3.951 20 0 EHADRM Cc1cc(C(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])sc1-c1ccccc1 ZINC000655555785 1022705225 /nfs/dbraw/zinc/70/52/25/1022705225.db2.gz KDOMWESHWQHQPM-TZMCWYRMSA-N -1 0 329.421 3.801 20 0 EHADRM Cc1ccc(CN=c2[n-]nc(Cc3ccc(Cl)cc3)s2)nc1 ZINC000581979358 1022726641 /nfs/dbraw/zinc/72/66/41/1022726641.db2.gz SPCVMMLDBBPMET-UHFFFAOYSA-N -1 0 330.844 3.520 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)C[C@@H]2CCCc3ccccc32)c1 ZINC000262090783 1022825811 /nfs/dbraw/zinc/82/58/11/1022825811.db2.gz COAQIBWHAITADW-KRWDZBQOSA-N -1 0 337.419 3.554 20 0 EHADRM O=C([O-])c1csc(CNCc2ccc(Oc3ccccc3)o2)n1 ZINC000426673309 1022906707 /nfs/dbraw/zinc/90/67/07/1022906707.db2.gz FMILOCXDTBVGDE-UHFFFAOYSA-N -1 0 330.365 3.516 20 0 EHADRM CCOCc1ccc([N-]S(=O)(=O)c2ccc(CC)s2)cc1 ZINC000438730682 1022948835 /nfs/dbraw/zinc/94/88/35/1022948835.db2.gz YQBHCXNWKQHFFX-UHFFFAOYSA-N -1 0 325.455 3.648 20 0 EHADRM CC[C@@H](C)CN(C)c1ccc(F)cc1CNCc1cc(C(=O)[O-])co1 ZINC000426714302 1022982348 /nfs/dbraw/zinc/98/23/48/1022982348.db2.gz MBHLQHBENFETGW-CYBMUJFWSA-N -1 0 348.418 3.889 20 0 EHADRM CC(C)Cn1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cn1 ZINC000438770158 1022982971 /nfs/dbraw/zinc/98/29/71/1022982971.db2.gz DQQVAWRWPOUPAS-UHFFFAOYSA-N -1 0 335.473 3.637 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCSc2ccccc2)s1 ZINC000048527402 1022989983 /nfs/dbraw/zinc/98/99/83/1022989983.db2.gz INFQENXJOLAALQ-UHFFFAOYSA-N -1 0 341.479 3.884 20 0 EHADRM O=C([O-])CCCCC(=O)NCC1(c2ccc(F)cc2F)CCCC1 ZINC000263576724 1023018770 /nfs/dbraw/zinc/01/87/70/1023018770.db2.gz QTIGYLLTJPFAHH-UHFFFAOYSA-N -1 0 339.382 3.538 20 0 EHADRM O=C([O-])[C@H](NCc1cnc(-c2ccsc2)s1)c1ccccc1F ZINC000426787571 1023048660 /nfs/dbraw/zinc/04/86/60/1023048660.db2.gz FWWMLWOTMSDSSL-CQSZACIVSA-N -1 0 348.424 3.926 20 0 EHADRM COc1ccccc1[C@H](NCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000426824297 1023068481 /nfs/dbraw/zinc/06/84/81/1023068481.db2.gz MFBOWFZJNRCGHV-HNNXBMFYSA-N -1 0 340.206 3.918 20 0 EHADRM CCc1ccc([C@H](NCc2cnc(CC(C)C)s2)C(=O)[O-])cc1 ZINC000426825516 1023071109 /nfs/dbraw/zinc/07/11/09/1023071109.db2.gz MHNFVWZZLGFNOI-KRWDZBQOSA-N -1 0 332.469 3.820 20 0 EHADRM O=S(=O)([N-]c1ccccc1Cl)c1c(F)c(F)cc(F)c1F ZINC000430985275 1023082687 /nfs/dbraw/zinc/08/26/87/1023082687.db2.gz UGVLZYACPIXKOS-UHFFFAOYSA-N -1 0 339.697 3.697 20 0 EHADRM C[C@H]1CCC[C@H](NC(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)C1 ZINC000574376342 1033103518 /nfs/dbraw/zinc/10/35/18/1033103518.db2.gz JJMSFUIDILVNHZ-WFASDCNBSA-N -1 0 338.835 3.515 20 0 EHADRM O=C([O-])[C@H]1CC12CCN(C(=O)c1cc3cccc(Cl)c3s1)CC2 ZINC000518194769 1023114777 /nfs/dbraw/zinc/11/47/77/1023114777.db2.gz RQQMHYCSLVVGQP-LLVKDONJSA-N -1 0 349.839 3.882 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2c3c(nn2C(C)C)CCC3)c1 ZINC000471911577 1023130755 /nfs/dbraw/zinc/13/07/55/1023130755.db2.gz NIRNPFGGRVGITJ-UHFFFAOYSA-N -1 0 347.484 3.877 20 0 EHADRM CC[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@H]1CC[C@@H]1C(=O)[O-] ZINC000507282806 1023230124 /nfs/dbraw/zinc/23/01/24/1023230124.db2.gz JVPSHGIZLZSXRL-AGIUHOORSA-N -1 0 344.238 3.542 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2O)s1 ZINC000439044635 1023233518 /nfs/dbraw/zinc/23/35/18/1023233518.db2.gz QCWFIEFDKZJVDR-UHFFFAOYSA-N -1 0 329.418 3.691 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)[C@H]3CC[C@@H](C)C3)n2)c1 ZINC000507300891 1023242312 /nfs/dbraw/zinc/24/23/12/1023242312.db2.gz QPTQPEDQHGSECY-ZBFHGGJFSA-N -1 0 341.455 3.962 20 0 EHADRM O=C(N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cccc(F)c1[O-] ZINC001125550299 1023283540 /nfs/dbraw/zinc/28/35/40/1023283540.db2.gz MCDPOZSSWDMVFU-RISCZKNCSA-N -1 0 339.288 3.836 20 0 EHADRM CCn1c(C)cc(C([O-])=C[S@](=O)[C@@H](C)c2ccc(F)cc2)c1C ZINC000341780641 1023309147 /nfs/dbraw/zinc/30/91/47/1023309147.db2.gz WUGIRKXAURYPTN-PSLXWICFSA-N -1 0 335.444 3.957 20 0 EHADRM CCOCc1ccc([N-]S(=O)(=O)c2sc(C)cc2C)cc1 ZINC000431152100 1023346648 /nfs/dbraw/zinc/34/66/48/1023346648.db2.gz UWVFXVGANUPBGP-UHFFFAOYSA-N -1 0 325.455 3.702 20 0 EHADRM CCC1(CC)CCCN(C(=O)N=c2ccc(C(F)(F)F)n[n-]2)CC1 ZINC000471938713 1023354776 /nfs/dbraw/zinc/35/47/76/1023354776.db2.gz FXGITKFOMQADJH-UHFFFAOYSA-N -1 0 344.381 3.742 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2-c2cn[nH]c2)s1 ZINC000431173545 1023379807 /nfs/dbraw/zinc/37/98/07/1023379807.db2.gz SJLBWADBGUOKQW-UHFFFAOYSA-N -1 0 333.438 3.556 20 0 EHADRM CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1N=c1nc(C2CC2)[n-]s1 ZINC000343800009 1033132104 /nfs/dbraw/zinc/13/21/04/1033132104.db2.gz BOBCIJSWAGYSFW-HRCADAONSA-N -1 0 329.469 3.601 20 0 EHADRM CCc1cc(=O)[nH]c(-c2cccc(NC(=O)CC3CC(F)(F)C3)c2)n1 ZINC000449741309 1033144808 /nfs/dbraw/zinc/14/48/08/1033144808.db2.gz UEHXDVZVEODCCY-UHFFFAOYSA-N -1 0 347.365 3.786 20 0 EHADRM O=S(=O)([N-]c1cnc(-c2ccccc2)s1)c1ccc(F)cc1 ZINC000535780372 1023638635 /nfs/dbraw/zinc/63/86/35/1023638635.db2.gz LNJSFOFWUCHPJB-UHFFFAOYSA-N -1 0 334.397 3.750 20 0 EHADRM CCc1noc(C)c1[N-]S(=O)(=O)/C=C\c1cccc(Cl)c1 ZINC000588482834 1023912369 /nfs/dbraw/zinc/91/23/69/1023912369.db2.gz WKNYJWLFHCYGJQ-FPLPWBNLSA-N -1 0 326.805 3.611 20 0 EHADRM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1)c1cccc(F)c1F ZINC000509616438 1023966304 /nfs/dbraw/zinc/96/63/04/1023966304.db2.gz FYSWMZXUNSMLDP-UHFFFAOYSA-N -1 0 337.269 3.784 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N(C)CCC2CCCCC2)s1 ZINC000513961708 1024008203 /nfs/dbraw/zinc/00/82/03/1024008203.db2.gz JEJDDEPQHQWWEY-UHFFFAOYSA-N -1 0 328.507 3.506 20 0 EHADRM Cc1cc(C)cc(C2(C(=O)NCCCCCCCC(=O)[O-])CC2)c1 ZINC000262186546 1024047141 /nfs/dbraw/zinc/04/71/41/1024047141.db2.gz MZDQSEIEJACLBO-UHFFFAOYSA-N -1 0 331.456 3.876 20 0 EHADRM CCCc1csc(CN[C@@H](Cc2cccc(Cl)c2)C(=O)[O-])n1 ZINC000417562016 1024053923 /nfs/dbraw/zinc/05/39/23/1024053923.db2.gz LUSJFNJJOSWSMK-AWEZNQCLSA-N -1 0 338.860 3.535 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N=c1ccc(OC(C)C)n[n-]1 ZINC000441568835 1024084386 /nfs/dbraw/zinc/08/43/86/1024084386.db2.gz HJGTUDDVGHOCGR-UHFFFAOYSA-N -1 0 345.786 3.646 20 0 EHADRM O=C([O-])Cc1ccc(-c2cc(F)ccc2OCC2CCOCC2)cc1 ZINC000657204869 1024085608 /nfs/dbraw/zinc/08/56/08/1024085608.db2.gz VNKQNAVAGCZGOA-UHFFFAOYSA-N -1 0 344.382 3.925 20 0 EHADRM Cc1ccc(-c2c[nH]cc2C(=O)N2CCC(CCC(=O)[O-])CC2)s1 ZINC000909440845 1024091262 /nfs/dbraw/zinc/09/12/62/1024091262.db2.gz URASDPNZKYHRIM-UHFFFAOYSA-N -1 0 346.452 3.769 20 0 EHADRM CCOCc1cc(CNc2ccc(F)c(C(=O)[O-])c2)ccc1OC ZINC000417573385 1024100281 /nfs/dbraw/zinc/10/02/81/1024100281.db2.gz HNRMDFJPUTYXBH-UHFFFAOYSA-N -1 0 333.359 3.681 20 0 EHADRM CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)c(O)c1 ZINC000443526259 1024104884 /nfs/dbraw/zinc/10/48/84/1024104884.db2.gz BSDBSEFDOWLPBX-UHFFFAOYSA-N -1 0 341.379 3.769 20 0 EHADRM Cc1nc(CN[C@]2(C(=O)[O-])C[C@H](C(C)C)c3ccccc32)cs1 ZINC000417591051 1024118063 /nfs/dbraw/zinc/11/80/63/1024118063.db2.gz RRSAWAJDZXSHDF-CRAIPNDOSA-N -1 0 330.453 3.665 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)N[C@H]1CCc2ccccc2C1)C1CCCCC1 ZINC000522619865 1024122277 /nfs/dbraw/zinc/12/22/77/1024122277.db2.gz FGRZXRPZPZWBHN-GHTZIAJQSA-N -1 0 343.467 3.721 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)N[C@@H]1CCc2ccccc2C1)C1CCCCC1 ZINC000522619868 1024122676 /nfs/dbraw/zinc/12/26/76/1024122676.db2.gz FGRZXRPZPZWBHN-WIYYLYMNSA-N -1 0 343.467 3.721 20 0 EHADRM COCCCOc1ccc(-c2cc(CCC(=O)[O-])ccc2OC)cc1 ZINC000657207595 1024130330 /nfs/dbraw/zinc/13/03/30/1024130330.db2.gz VYXJJVFPMZSOFN-UHFFFAOYSA-N -1 0 344.407 3.795 20 0 EHADRM COc1ccc(CO)c(-c2ccc(CC[C@@H](C)CC(=O)[O-])cc2)c1 ZINC000657208218 1024132874 /nfs/dbraw/zinc/13/28/74/1024132874.db2.gz XQUYXSSFUZSLBU-CQSZACIVSA-N -1 0 328.408 3.898 20 0 EHADRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(Cl)s1 ZINC000191543230 1024133163 /nfs/dbraw/zinc/13/31/63/1024133163.db2.gz SJYWVRAEIONZBM-LBPRGKRZSA-N -1 0 337.828 3.607 20 0 EHADRM C[C@H](CCc1ccc(-c2cc3c(cc2CO)OCO3)cc1)CC(=O)[O-] ZINC000657208246 1024133566 /nfs/dbraw/zinc/13/35/66/1024133566.db2.gz ZPQQGOTUPKHABI-CYBMUJFWSA-N -1 0 342.391 3.618 20 0 EHADRM Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C(=O)Nc1ccc(C)cc1 ZINC000505431996 1024153543 /nfs/dbraw/zinc/15/35/43/1024153543.db2.gz CNVXDKTWRSASGN-GOSISDBHSA-N -1 0 335.407 3.589 20 0 EHADRM CCC(CC)c1cc(C(=O)[N-]c2nnc(-c3ccccn3)s2)on1 ZINC000151543671 1024178516 /nfs/dbraw/zinc/17/85/16/1024178516.db2.gz VHXMGJMAEUQZRT-UHFFFAOYSA-N -1 0 343.412 3.744 20 0 EHADRM CCOc1cc(C)ccc1NS(=O)(=O)c1ccc(OC)c(C)c1C ZINC000522670590 1024180444 /nfs/dbraw/zinc/18/04/44/1024180444.db2.gz WQDZETVUUIZFHI-UHFFFAOYSA-N -1 0 349.452 3.820 20 0 EHADRM Fc1cccc(Cl)c1CCSc1n[n-]c(=NC2CC2)s1 ZINC000520601833 1024206489 /nfs/dbraw/zinc/20/64/89/1024206489.db2.gz AAOOQYTZLJVMFS-UHFFFAOYSA-N -1 0 329.853 3.662 20 0 EHADRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc2scnc2c1 ZINC000434627255 1024227497 /nfs/dbraw/zinc/22/74/97/1024227497.db2.gz MRNHCCNPOPJPBY-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM C[C@@H](CC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(F)c(F)c1[O-] ZINC001625992095 1033195443 /nfs/dbraw/zinc/19/54/43/1033195443.db2.gz LUFVLYMIOVBXBN-VIFPVBQESA-N -1 0 337.297 3.657 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@@H]1CCOC2(CCCC2)C1 ZINC000909515874 1024303169 /nfs/dbraw/zinc/30/31/69/1024303169.db2.gz JEIDDALYEQHGEM-CQSZACIVSA-N -1 0 331.412 3.680 20 0 EHADRM Cc1cc(Nc2cnc(Br)c(Cl)n2)cc(C(=O)[O-])c1 ZINC001211535164 1024315907 /nfs/dbraw/zinc/31/59/07/1024315907.db2.gz RBWYUXNHTBYWEC-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM Cc1cc(Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc(C(=O)[O-])c1 ZINC001211535182 1024316738 /nfs/dbraw/zinc/31/67/38/1024316738.db2.gz RYSDLEBVSGHPDS-SECBINFHSA-N -1 0 344.436 3.722 20 0 EHADRM CCc1cc(C)c(C(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)o1 ZINC000487434978 1024319783 /nfs/dbraw/zinc/31/97/83/1024319783.db2.gz UNPIWLMMTSVQAU-UHFFFAOYSA-N -1 0 347.827 3.997 20 0 EHADRM C[C@@H](NC(=O)CC1(C(=O)[O-])CCCC1)c1cccc(C(F)(F)F)c1 ZINC000324236757 1024329626 /nfs/dbraw/zinc/32/96/26/1024329626.db2.gz XAACDUBQYVPEKB-LLVKDONJSA-N -1 0 343.345 3.918 20 0 EHADRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)c1cc2ccccc2o1 ZINC000191535371 1024403766 /nfs/dbraw/zinc/40/37/66/1024403766.db2.gz NSIBEIZOACXVRA-INIZCTEOSA-N -1 0 337.375 3.639 20 0 EHADRM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CC1(C(=O)[O-])CCC1 ZINC000262441667 1033213330 /nfs/dbraw/zinc/21/33/30/1033213330.db2.gz CUAKQLIRPYCKHH-DLBZAZTESA-N -1 0 329.440 3.816 20 0 EHADRM Cc1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1C(=O)[O-] ZINC000320531740 1024426772 /nfs/dbraw/zinc/42/67/72/1024426772.db2.gz FOLSXJPXRNVDOK-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM CCCc1nnc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)o1 ZINC000194742383 1024452621 /nfs/dbraw/zinc/45/26/21/1024452621.db2.gz HSKRWWNQMCUXQF-UHFFFAOYSA-N -1 0 349.456 3.871 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)N1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000425228572 1024463691 /nfs/dbraw/zinc/46/36/91/1024463691.db2.gz ANYGHTNLILVBQV-OXJNMPFZSA-N -1 0 331.456 3.523 20 0 EHADRM Cc1c(C(=O)[O-])cnn1-c1cccc(NC(=O)[C@H]2CCCC[C@@H]2C)c1 ZINC000425247647 1024505096 /nfs/dbraw/zinc/50/50/96/1024505096.db2.gz YMENWKBNMDOHKE-LRDDRELGSA-N -1 0 341.411 3.644 20 0 EHADRM O=C([O-])CC[C@H](CC1CCCCC1)NC(=O)[C@@H]1CCC[C@H](F)C1 ZINC000425253469 1024512402 /nfs/dbraw/zinc/51/24/02/1024512402.db2.gz KBWBTFGZQZZFIQ-OWCLPIDISA-N -1 0 327.440 3.835 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccccc2)s1)NCCC1=CCCCC1 ZINC000514543793 1024551816 /nfs/dbraw/zinc/55/18/16/1024551816.db2.gz XGGDBSJZCTVULY-UHFFFAOYSA-N -1 0 328.441 3.639 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nc3cc(C)ccc3[nH]2)sc1Cl ZINC000427633434 1024558313 /nfs/dbraw/zinc/55/83/13/1024558313.db2.gz JFGQAXTXWPDZAQ-UHFFFAOYSA-N -1 0 341.845 3.695 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1C ZINC000909522577 1024569461 /nfs/dbraw/zinc/56/94/61/1024569461.db2.gz YQQZEGHFBMMWGW-ZDUSSCGKSA-N -1 0 339.391 3.713 20 0 EHADRM COc1cc(CNc2cccc(C(=O)[O-])c2)c(SC)cc1OC ZINC000320780030 1024635741 /nfs/dbraw/zinc/63/57/41/1024635741.db2.gz RRHPPMMDMSXFRC-UHFFFAOYSA-N -1 0 333.409 3.736 20 0 EHADRM CC(=O)c1c(C)cc(C)c(C[S@](=O)[C@@H](CC(C)C)C(=O)[O-])c1C ZINC000514657238 1024640694 /nfs/dbraw/zinc/64/06/94/1024640694.db2.gz LUPOVBXJBRUBJH-HJPURHCSSA-N -1 0 338.469 3.562 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cn1)c1c(Cl)cccc1Cl ZINC000068300395 1024646976 /nfs/dbraw/zinc/64/69/76/1024646976.db2.gz ISAWFNYDRCDDBX-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cccn1C1CCCC1)c1ccccc1 ZINC000190851804 1024667516 /nfs/dbraw/zinc/66/75/16/1024667516.db2.gz NHEIAINLGANHCR-RDTXWAMCSA-N -1 0 340.423 3.795 20 0 EHADRM Cc1cc2scc(CC(=O)N(C[C@@H](C)C(=O)[O-])C3CC3)c2s1 ZINC000909453283 1024684952 /nfs/dbraw/zinc/68/49/52/1024684952.db2.gz DACIMHRDQKLBMX-SECBINFHSA-N -1 0 337.466 3.525 20 0 EHADRM O=C([O-])C1(CNC(=O)c2c[nH]cc2-c2ccccc2F)CCCCC1 ZINC000909526605 1024702747 /nfs/dbraw/zinc/70/27/47/1024702747.db2.gz RHQGHPJKQRQBRH-UHFFFAOYSA-N -1 0 344.386 3.586 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)NCc1c(C)c(C)c(C)c(C)c1C ZINC000455865485 1033229988 /nfs/dbraw/zinc/22/99/88/1033229988.db2.gz RYXLFRPYGYYOFU-UHFFFAOYSA-N -1 0 343.423 3.687 20 0 EHADRM Cc1cccnc1CSc1n[n-]c(=NCCc2ccccc2)s1 ZINC000548612122 1024711101 /nfs/dbraw/zinc/71/11/01/1024711101.db2.gz WBUABJRSMYIYIZ-UHFFFAOYSA-N -1 0 342.493 3.610 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)N2CC3(CCC3)C[C@H]2C)s[n-]1 ZINC000514772289 1024729792 /nfs/dbraw/zinc/72/97/92/1024729792.db2.gz XQRGSYUBYVHHML-LLVKDONJSA-N -1 0 348.497 3.793 20 0 EHADRM CCC(CC)(Cc1nc2ccccc2s1)C(=O)N[C@H](C)CC(=O)[O-] ZINC000427735997 1024769584 /nfs/dbraw/zinc/76/95/84/1024769584.db2.gz USHVZHDZECZYFI-GFCCVEGCSA-N -1 0 348.468 3.625 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)[N-]c2noc3ccc(Cl)cc32)c1 ZINC000427762156 1024779727 /nfs/dbraw/zinc/77/97/27/1024779727.db2.gz HZXGQBMUOICHEN-UHFFFAOYSA-N -1 0 340.763 3.730 20 0 EHADRM CC1(C)C(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)C1(C)C ZINC000427784172 1024793210 /nfs/dbraw/zinc/79/32/10/1024793210.db2.gz XTLRIMNOSUMYDV-UONOGXRCSA-N -1 0 349.858 3.649 20 0 EHADRM CO[C@H](C)CS(=O)(=O)[N-]c1cccc(Cl)c1SC(C)C ZINC000193330421 1024801574 /nfs/dbraw/zinc/80/15/74/1024801574.db2.gz IPOPBNVIACNAPO-SNVBAGLBSA-N -1 0 337.894 3.617 20 0 EHADRM CC(=O)Nc1cccc(N=c2[n-]nc(SCC[C@@H](C)F)s2)c1 ZINC000505665798 1024809332 /nfs/dbraw/zinc/80/93/32/1024809332.db2.gz WUYZYFPZLDQFNT-SECBINFHSA-N -1 0 340.449 3.502 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCC(F)F)c(F)c1 ZINC000474388597 1024867451 /nfs/dbraw/zinc/86/74/51/1024867451.db2.gz JMXWTIMUGFJIGU-UHFFFAOYSA-N -1 0 345.342 3.579 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(CCOC)ccn2)cc1 ZINC000508112908 1024891542 /nfs/dbraw/zinc/89/15/42/1024891542.db2.gz OVEBOEMVOOPLTB-CQSZACIVSA-N -1 0 348.468 3.585 20 0 EHADRM Cc1cc(Nc2ccnn2Cc2ccc(F)cc2)cc(C(=O)[O-])c1 ZINC001211537446 1024895109 /nfs/dbraw/zinc/89/51/09/1024895109.db2.gz JWLWXZNXIREYBJ-UHFFFAOYSA-N -1 0 325.343 3.821 20 0 EHADRM CN(Cc1cccc2[nH]ccc21)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000427969017 1024914461 /nfs/dbraw/zinc/91/44/61/1024914461.db2.gz XYLCSFFGDNXPHT-UHFFFAOYSA-N -1 0 334.297 3.563 20 0 EHADRM O=S(=O)(CCCCF)[N-]c1nc(/C=C\c2ccccc2)cs1 ZINC000514964544 1024920773 /nfs/dbraw/zinc/92/07/73/1024920773.db2.gz AUADEVJHDNBNOD-HJWRWDBZSA-N -1 0 340.445 3.805 20 0 EHADRM CCC(CC)(NC(=O)Nc1cccc(-c2nc(C)c(C)o2)c1)C(=O)[O-] ZINC000515031461 1024973900 /nfs/dbraw/zinc/97/39/00/1024973900.db2.gz OUKFNJGGXYBQKN-UHFFFAOYSA-N -1 0 345.399 3.723 20 0 EHADRM Cc1cc2c(cc1C)[C@H](C(=O)Nc1cc(F)cc(Cl)c1[O-])CO2 ZINC000474446327 1024979943 /nfs/dbraw/zinc/97/99/43/1024979943.db2.gz OSADZXIAJIUPTE-GFCCVEGCSA-N -1 0 335.762 3.916 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000474445773 1024980541 /nfs/dbraw/zinc/98/05/41/1024980541.db2.gz NJPIFXHGUGWSEK-UHFFFAOYSA-N -1 0 349.724 3.966 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000013166800 1025057698 /nfs/dbraw/zinc/05/76/98/1025057698.db2.gz QXSLVXDCPZIRPJ-UHFFFAOYSA-N -1 0 325.242 3.536 20 0 EHADRM CC(C)(C)CCCNC(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000515151487 1025058248 /nfs/dbraw/zinc/05/82/48/1025058248.db2.gz QTTDTYDRIHNGIS-HOTGVXAUSA-N -1 0 332.444 3.813 20 0 EHADRM Cc1ccc(C(C)(C)C)cc1S([O-])=CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000520805589 1025063739 /nfs/dbraw/zinc/06/37/39/1025063739.db2.gz MWQWVCVXJFZOAT-JPMUSVJPSA-N -1 0 349.540 3.905 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)c1 ZINC000071975584 1025066410 /nfs/dbraw/zinc/06/64/10/1025066410.db2.gz BXKCLUVIMIEKKL-UHFFFAOYSA-N -1 0 349.305 3.834 20 0 EHADRM CC(C)(C)c1ccccc1C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000327534069 1025071540 /nfs/dbraw/zinc/07/15/40/1025071540.db2.gz UBNNJQKGIGHACG-KRWDZBQOSA-N -1 0 337.419 3.808 20 0 EHADRM C[C@H](CCNC(=O)N(CC(=O)[O-])C1CCCCC1)c1ccccc1 ZINC000684728283 1025072014 /nfs/dbraw/zinc/07/20/14/1025072014.db2.gz UXLURWKGNANWGE-OAHLLOKOSA-N -1 0 332.444 3.609 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)CCCc1csc2ccccc12)C1CC1 ZINC000262153948 1025088397 /nfs/dbraw/zinc/08/83/97/1025088397.db2.gz NKUJAPRGAUENLI-LBPRGKRZSA-N -1 0 331.437 3.688 20 0 EHADRM Cc1cc(=NC(=O)N2CCCC[C@H]2c2ccc(Cl)cc2)[n-]nc1C ZINC000515209287 1025093639 /nfs/dbraw/zinc/09/36/39/1025093639.db2.gz TUZLZEVMXSFOTK-INIZCTEOSA-N -1 0 344.846 3.928 20 0 EHADRM COc1cc(C)c([N-]S(=O)(=O)c2cnc3ccsc3c2)cc1C ZINC000435728313 1025096265 /nfs/dbraw/zinc/09/62/65/1025096265.db2.gz KMTYNBMLJOOZSH-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)C2CCC(C(=O)[O-])CC2)cc1C ZINC000435723535 1025107392 /nfs/dbraw/zinc/10/73/92/1025107392.db2.gz PLROQAGXUCWZJD-HTWSVDAQSA-N -1 0 329.440 3.858 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N2Cc3ccccc3C[C@H]2CC)s1 ZINC000467101015 1025111467 /nfs/dbraw/zinc/11/14/67/1025111467.db2.gz LNJMCVWHCBXKAD-OAHLLOKOSA-N -1 0 344.484 3.671 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000327588677 1025127944 /nfs/dbraw/zinc/12/79/44/1025127944.db2.gz DSSCSGCUBPNLJO-UHFFFAOYSA-N -1 0 343.310 3.596 20 0 EHADRM CCCCCc1ccc(NC(=O)N2CC[C@@H](OC)C[C@@H]2C(=O)[O-])cc1 ZINC000684742152 1025184869 /nfs/dbraw/zinc/18/48/69/1025184869.db2.gz OOXBVADWTIODBI-IAGOWNOFSA-N -1 0 348.443 3.515 20 0 EHADRM Cc1ccc(C(=O)N=c2nc(Sc3ccccc3)[n-]s2)s1 ZINC000521064611 1025186265 /nfs/dbraw/zinc/18/62/65/1025186265.db2.gz LQXCLOUTKLAUAW-UHFFFAOYSA-N -1 0 333.463 3.733 20 0 EHADRM COc1cccc(Cn2nccc2Nc2cc(C)cc(C(=O)[O-])c2)c1 ZINC001211539411 1025209429 /nfs/dbraw/zinc/20/94/29/1025209429.db2.gz VPFORUYJTSPWDZ-UHFFFAOYSA-N -1 0 337.379 3.690 20 0 EHADRM CC(C)c1nnc2ccc(NC(=O)c3cc(F)c([O-])c(Cl)c3)cn21 ZINC000192619144 1025211493 /nfs/dbraw/zinc/21/14/93/1025211493.db2.gz WBUWNIFPMJOOTI-UHFFFAOYSA-N -1 0 348.765 3.603 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1ccc2ccccc2n1 ZINC000444057961 1025214621 /nfs/dbraw/zinc/21/46/21/1025214621.db2.gz WKQCLFVQGVFRPP-UHFFFAOYSA-N -1 0 330.434 3.758 20 0 EHADRM CCOCc1cccc(NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC000684747196 1025236604 /nfs/dbraw/zinc/23/66/04/1025236604.db2.gz FFNOXTPYYZLAOK-HNNXBMFYSA-N -1 0 336.432 3.624 20 0 EHADRM O=C([O-])c1cccc(Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)c1 ZINC000515438296 1025246764 /nfs/dbraw/zinc/24/67/64/1025246764.db2.gz HLOBWDURVUFAMI-UHFFFAOYSA-N -1 0 348.280 3.643 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000582100459 1025299279 /nfs/dbraw/zinc/29/92/79/1025299279.db2.gz SFOMMXYAGIFSRL-VIFPVBQESA-N -1 0 333.215 3.561 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)C3CCC(C(=O)[O-])CC3)cc2)oc1C ZINC000684771211 1025411126 /nfs/dbraw/zinc/41/11/26/1025411126.db2.gz KUYFMNKVGKSNSL-UHFFFAOYSA-N -1 0 342.395 3.788 20 0 EHADRM Cc1cc[nH]c1C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000436161306 1025425957 /nfs/dbraw/zinc/42/59/57/1025425957.db2.gz KMKURINZGVUULS-UHFFFAOYSA-N -1 0 329.581 3.697 20 0 EHADRM COc1cc(NS(=O)(=O)c2ccc(Cl)cc2C)ccc1F ZINC000436166202 1025429134 /nfs/dbraw/zinc/42/91/34/1025429134.db2.gz QDEHUDAPMJCURF-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CO[C@@H](C)c1nc(=NC(=O)CC(C)(C)C2CCCCC2)s[n-]1 ZINC000511087039 1025470988 /nfs/dbraw/zinc/47/09/88/1025470988.db2.gz XBDCPFZCYUFYHY-NSHDSACASA-N -1 0 325.478 3.603 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)N[C@H](CC(F)(F)F)C(=O)[O-])cc1 ZINC000391973898 1025538628 /nfs/dbraw/zinc/53/86/28/1025538628.db2.gz ZXXRASXTCIKDGB-LLVKDONJSA-N -1 0 332.322 3.511 20 0 EHADRM CO[C@H]1CCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])[C@H](C)C1 ZINC000442897662 1025583712 /nfs/dbraw/zinc/58/37/12/1025583712.db2.gz JHDKRRAEECBSEN-NEPJUHHUSA-N -1 0 333.815 3.838 20 0 EHADRM CCCOc1ncccc1CN=c1[n-]c(-c2cccc(Cl)c2)no1 ZINC000521670766 1025587499 /nfs/dbraw/zinc/58/74/99/1025587499.db2.gz FRGWRBKJGJNDRM-UHFFFAOYSA-N -1 0 344.802 3.608 20 0 EHADRM CSc1ccc(NC(=O)N2CC[C@@H](C)C[C@@H]2C(=O)[O-])cc1Cl ZINC000582219340 1025623477 /nfs/dbraw/zinc/62/34/77/1025623477.db2.gz KVRRESHSVRVDMU-BXKDBHETSA-N -1 0 342.848 3.779 20 0 EHADRM Cc1ccc(Cc2n[n-]c(=NC(=O)N[C@H]3CCC[C@H](C)C3)s2)cc1 ZINC000521748084 1025635279 /nfs/dbraw/zinc/63/52/79/1025635279.db2.gz LASBWEBYRSCSAR-ZFWWWQNUSA-N -1 0 344.484 3.559 20 0 EHADRM CCSCC[C@H](C)NC(=O)N=c1[n-]nc(C(CC)CC)s1 ZINC000342465677 1025677976 /nfs/dbraw/zinc/67/79/76/1025677976.db2.gz GEKCZGCNCJJLLG-JTQLQIEISA-N -1 0 330.523 3.517 20 0 EHADRM CCCC[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000347253327 1025733085 /nfs/dbraw/zinc/73/30/85/1025733085.db2.gz AFOIMAADVHGYRY-LOWVWBTDSA-N -1 0 344.238 3.857 20 0 EHADRM CCCC[C@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C)C(=O)[O-] ZINC000347260166 1025754107 /nfs/dbraw/zinc/75/41/07/1025754107.db2.gz LHHFHXTXJBPDKL-ZBFHGGJFSA-N -1 0 335.444 3.645 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000521929711 1025792666 /nfs/dbraw/zinc/79/26/66/1025792666.db2.gz LJHODMDRYHEZQE-LLVKDONJSA-N -1 0 335.498 3.624 20 0 EHADRM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000436521490 1025823897 /nfs/dbraw/zinc/82/38/97/1025823897.db2.gz FGEGJAHQNUXODE-GXTWGEPZSA-N -1 0 331.362 3.764 20 0 EHADRM Clc1ccc(CN=c2[n-]nc(C3CC3)s2)cc1Br ZINC000582319463 1025844397 /nfs/dbraw/zinc/84/43/97/1025844397.db2.gz ZFFSSZWBTYKPCB-UHFFFAOYSA-N -1 0 344.665 3.865 20 0 EHADRM O=C(NCCCOC1CCCC1)c1c([O-])cc(Cl)cc1Cl ZINC000436540683 1025868382 /nfs/dbraw/zinc/86/83/82/1025868382.db2.gz SZHCQNLCDFTCAD-UHFFFAOYSA-N -1 0 332.227 3.778 20 0 EHADRM Clc1ccccc1-c1n[n-]c(=NCCCc2nccs2)s1 ZINC000564484664 1025894203 /nfs/dbraw/zinc/89/42/03/1025894203.db2.gz RQZQTOOSANXFNS-UHFFFAOYSA-N -1 0 336.873 3.782 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000665316438 1025911878 /nfs/dbraw/zinc/91/18/78/1025911878.db2.gz FPGJQWJEWCRMBN-IRXDYDNUSA-N -1 0 332.444 3.670 20 0 EHADRM C[C@@H](NC(=O)c1ccc(F)cc1[O-])c1cccc(N2CCCC2)c1 ZINC000436585852 1025924904 /nfs/dbraw/zinc/92/49/04/1025924904.db2.gz RGMFVSWKTWIERA-CYBMUJFWSA-N -1 0 328.387 3.623 20 0 EHADRM C[C@@H]1CCC[C@H](C)CN1C(=O)c1ccc(Br)cc1O ZINC000436589032 1025926851 /nfs/dbraw/zinc/92/68/51/1025926851.db2.gz JKKLOGMWAXDBGT-WDEREUQCSA-N -1 0 326.234 3.805 20 0 EHADRM CCc1nnc(CNC(=O)c2cc(Cl)c3ccccc3c2[O-])s1 ZINC000436618683 1025929623 /nfs/dbraw/zinc/92/96/23/1025929623.db2.gz OPBOOUUXBGGDJJ-UHFFFAOYSA-N -1 0 347.827 3.543 20 0 EHADRM O=C(Nc1ccc(F)cc1F)c1ccc(Br)cc1[O-] ZINC000044490457 1025939890 /nfs/dbraw/zinc/93/98/90/1025939890.db2.gz MEVIDZQBCNAYII-UHFFFAOYSA-N -1 0 328.112 3.685 20 0 EHADRM CCOc1cc(-c2noc([C@@](C)(OC)C3CC3)n2)cc(Cl)c1O ZINC000436655695 1025982834 /nfs/dbraw/zinc/98/28/34/1025982834.db2.gz JYFQWPHZAICDJK-INIZCTEOSA-N -1 0 338.791 3.766 20 0 EHADRM CCC1(C)CN(C(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000436654937 1025983365 /nfs/dbraw/zinc/98/33/65/1025983365.db2.gz KLOGKNWOESKZDH-UHFFFAOYSA-N -1 0 332.625 3.680 20 0 EHADRM C[C@H](NC(=O)c1ccc(O)cc1O)c1cccc(C(F)(F)F)c1 ZINC000436654894 1025984114 /nfs/dbraw/zinc/98/41/14/1025984114.db2.gz JWJBLSDTZPDOTF-VIFPVBQESA-N -1 0 325.286 3.608 20 0 EHADRM CCOc1cccc(S(=O)(=O)[N-]c2c(C)cccc2SC)c1 ZINC000443403615 1026001738 /nfs/dbraw/zinc/00/17/38/1026001738.db2.gz BQXGOCPNCHIQTR-UHFFFAOYSA-N -1 0 337.466 3.916 20 0 EHADRM CCc1cccnc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000443420970 1026018766 /nfs/dbraw/zinc/01/87/66/1026018766.db2.gz AXRQXFOHSXPVJO-UHFFFAOYSA-N -1 0 331.224 3.752 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)c1 ZINC000436676911 1026025577 /nfs/dbraw/zinc/02/55/77/1026025577.db2.gz AOPZLHIPWCTNOF-DYESRHJHSA-N -1 0 335.403 3.828 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2oc(-c3ccccc3)nc2C)c1 ZINC000436683537 1026037408 /nfs/dbraw/zinc/03/74/08/1026037408.db2.gz YYOYWAVZWQAZAS-UHFFFAOYSA-N -1 0 336.347 3.811 20 0 EHADRM COc1cc(-c2nc(-c3nccc4ccccc43)no2)cc(OC)c1O ZINC000436690848 1026048242 /nfs/dbraw/zinc/04/82/42/1026048242.db2.gz RDQFHYLIAJPKJV-UHFFFAOYSA-N -1 0 349.346 3.675 20 0 EHADRM CC[C@@H](C)CS(=O)(=O)[N-][C@H](c1c[nH]c2ccccc12)C(F)(F)F ZINC000443451295 1026055692 /nfs/dbraw/zinc/05/56/92/1026055692.db2.gz GWTHSKBGUTUDDS-QMTHXVAHSA-N -1 0 348.390 3.737 20 0 EHADRM COC(=O)c1c(C)c(NC(=O)c2cc(Cl)ccc2[O-])ccc1F ZINC000436698211 1026057208 /nfs/dbraw/zinc/05/72/08/1026057208.db2.gz PDIONLLPJXJKOC-UHFFFAOYSA-N -1 0 337.734 3.532 20 0 EHADRM C[C@H]1C[C@@H](CNC(=O)c2cc(Cl)c3ccccc3c2[O-])CCO1 ZINC000436713104 1026081583 /nfs/dbraw/zinc/08/15/83/1026081583.db2.gz AUZAIIYBZPFYTB-RYUDHWBXSA-N -1 0 333.815 3.744 20 0 EHADRM COc1cccc(C(=O)Nc2ccc(C(=O)C3CCC3)cc2)c1O ZINC000436729411 1026118979 /nfs/dbraw/zinc/11/89/79/1026118979.db2.gz AJFPKHYPQYSXPV-UHFFFAOYSA-N -1 0 325.364 3.636 20 0 EHADRM O=C(c1ccc(O)cc1F)N1C[C@@H]2CCCCN2c2ccccc21 ZINC000436729310 1026120505 /nfs/dbraw/zinc/12/05/05/1026120505.db2.gz AIMPYCVQKCOPOT-ZDUSSCGKSA-N -1 0 326.371 3.551 20 0 EHADRM COc1ccc2cc(CN(C)C(=O)c3ccc(F)cc3[O-])ccc2c1 ZINC000436758589 1026128572 /nfs/dbraw/zinc/12/85/72/1026128572.db2.gz ZBYPZDPJJGQNDP-UHFFFAOYSA-N -1 0 339.366 3.965 20 0 EHADRM CN(Cc1ccoc1)C(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000436760390 1026130549 /nfs/dbraw/zinc/13/05/49/1026130549.db2.gz BSMQSASYDZETLR-UHFFFAOYSA-N -1 0 344.592 3.673 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(Cl)cc(OC)c2)c1 ZINC000436761946 1026133171 /nfs/dbraw/zinc/13/31/71/1026133171.db2.gz AIMJIZHWRLXQOJ-UHFFFAOYSA-N -1 0 333.771 3.899 20 0 EHADRM Cc1cccc2sc([N-]S(=O)(=O)CCc3ccccc3)nc21 ZINC000530652071 1026166380 /nfs/dbraw/zinc/16/63/80/1026166380.db2.gz WTSVPJCGIVYAJP-UHFFFAOYSA-N -1 0 332.450 3.589 20 0 EHADRM CSc1cccc(NC(=O)c2nn(-c3ccccc3)cc2[O-])c1C ZINC000342539947 1026178753 /nfs/dbraw/zinc/17/87/53/1026178753.db2.gz OSSVDEIXOYCBTL-UHFFFAOYSA-N -1 0 339.420 3.861 20 0 EHADRM COc1ccc(C[C@H](C)C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC000262431125 1026236377 /nfs/dbraw/zinc/23/63/77/1026236377.db2.gz BPQLXPCFEHTEDG-AWEZNQCLSA-N -1 0 341.407 3.828 20 0 EHADRM Cc1cc(Nc2cc(Br)c(F)cc2N)cc(C(=O)[O-])c1 ZINC001211545105 1026252870 /nfs/dbraw/zinc/25/28/70/1026252870.db2.gz UJEWLYXHNICBKX-UHFFFAOYSA-N -1 0 339.164 3.921 20 0 EHADRM Oc1cc(Br)cc(F)c1O[C@@H]1CC(F)(F)C1(F)F ZINC001227591464 1026320567 /nfs/dbraw/zinc/32/05/67/1026320567.db2.gz VDJFSDQYYQBXAS-SSDOTTSWSA-N -1 0 333.050 3.716 20 0 EHADRM Cc1ccc(OCC(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)c(C)c1 ZINC000324805791 1026327374 /nfs/dbraw/zinc/32/73/74/1026327374.db2.gz QRVPMSSHPPDUKK-UHFFFAOYSA-N -1 0 327.380 3.636 20 0 EHADRM CC1(C2(NS(=O)(=O)c3cc(Cl)sc3Cl)CC2)CC1 ZINC000451991057 1026425159 /nfs/dbraw/zinc/42/51/59/1026425159.db2.gz FBHMMYUABFIXCC-UHFFFAOYSA-N -1 0 326.270 3.666 20 0 EHADRM CCc1nc(=NCc2ccc(Oc3cc(C)ccc3C)nc2)s[n-]1 ZINC000530933889 1026433207 /nfs/dbraw/zinc/43/32/07/1026433207.db2.gz CXPGRIQYVMKFFQ-UHFFFAOYSA-N -1 0 340.452 3.939 20 0 EHADRM CC(C)Sc1ccccc1[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC000122411810 1026460394 /nfs/dbraw/zinc/46/03/94/1026460394.db2.gz AFQNRJQBLUHHNV-UHFFFAOYSA-N -1 0 339.486 3.765 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)N3C[C@@H](C)CC3(C)C)cc2)cc(=O)[nH]1 ZINC000531102733 1026570416 /nfs/dbraw/zinc/57/04/16/1026570416.db2.gz KATJSDVQSHOMIS-LBPRGKRZSA-N -1 0 340.427 3.810 20 0 EHADRM COC(=O)c1cc(Cl)c(Nc2cc(C)cc(C(=O)[O-])c2)cc1OC ZINC001211549027 1026597583 /nfs/dbraw/zinc/59/75/83/1026597583.db2.gz DYHRIHKCQKIQAV-UHFFFAOYSA-N -1 0 349.770 3.885 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000431456651 1026644545 /nfs/dbraw/zinc/64/45/45/1026644545.db2.gz LLHCRWZJFIBXJT-CQSZACIVSA-N -1 0 345.826 3.632 20 0 EHADRM CSc1cccc(S(=O)(=O)[N-]c2ccc(C3CCC3)cn2)c1 ZINC000582587268 1026679849 /nfs/dbraw/zinc/67/98/49/1026679849.db2.gz FIKWNGFRAVKCFF-UHFFFAOYSA-N -1 0 334.466 3.872 20 0 EHADRM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)c2ccoc2CC(=O)[O-])cc1 ZINC000909583658 1026721059 /nfs/dbraw/zinc/72/10/59/1026721059.db2.gz IQIQQGQBLGYXRN-KUHUBIRLSA-N -1 0 341.407 3.829 20 0 EHADRM C[C@H](c1ccccc1)N(C(=O)c1nn(-c2ccccc2)cc1[O-])C1CC1 ZINC000342696627 1026748346 /nfs/dbraw/zinc/74/83/46/1026748346.db2.gz KJJSHYORTNHGHF-OAHLLOKOSA-N -1 0 347.418 3.944 20 0 EHADRM C[C@@H](NC(=O)c1cccc(F)c1[O-])c1ccc(OC(F)(F)F)cc1 ZINC001271522310 1026788227 /nfs/dbraw/zinc/78/82/27/1026788227.db2.gz PHTOMZHZTRCOHJ-SECBINFHSA-N -1 0 343.276 3.921 20 0 EHADRM COCCOCc1cccc(-c2cccc(SCC(=O)[O-])c2)c1 ZINC000563437449 1026953625 /nfs/dbraw/zinc/95/36/25/1026953625.db2.gz JUOIQDFLKHENHL-UHFFFAOYSA-N -1 0 332.421 3.693 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])[S@@](=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000578319046 1027018687 /nfs/dbraw/zinc/01/86/87/1027018687.db2.gz DZATXUVDFKBKPM-FVINQWEUSA-N -1 0 328.739 3.576 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2noc3cc(Cl)ccc32)c(C)c1 ZINC000569617544 1027029526 /nfs/dbraw/zinc/02/95/26/1027029526.db2.gz HGOJDWZSKBBMIT-UHFFFAOYSA-N -1 0 336.800 3.899 20 0 EHADRM Cc1cc(=NC(=O)N([C@H](C)c2ccccc2Cl)C2CC2)[n-]nc1C ZINC000531560172 1027045946 /nfs/dbraw/zinc/04/59/46/1027045946.db2.gz IFTPHJFUBGKPCK-CYBMUJFWSA-N -1 0 344.846 3.926 20 0 EHADRM CO[C@@H](C)CCC(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000273032113 1027236093 /nfs/dbraw/zinc/23/60/93/1027236093.db2.gz FSRRUEFEFFPOKZ-ZETCQYMHSA-N -1 0 336.613 3.562 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(OC3CCCCC3)cc2)C1 ZINC000414435300 1027263481 /nfs/dbraw/zinc/26/34/81/1027263481.db2.gz FFCXOGNBXWAVQJ-FQEVSTJZSA-N -1 0 345.439 3.725 20 0 EHADRM Cc1cc(C(=O)N=c2[n-]nc(-c3ccc(C)cc3C)s2)oc1C ZINC000531754647 1027276216 /nfs/dbraw/zinc/27/62/16/1027276216.db2.gz BBXPUKFVAPOXSF-UHFFFAOYSA-N -1 0 327.409 3.706 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)c1 ZINC000614739381 1027317917 /nfs/dbraw/zinc/31/79/17/1027317917.db2.gz SAFAWBCRWQEPCW-UHFFFAOYSA-N -1 0 331.315 3.536 20 0 EHADRM c1ccc(-c2nc(=NC[C@@H]3CCN(c4ccccc4)C3)s[n-]2)cc1 ZINC000501548935 1027345725 /nfs/dbraw/zinc/34/57/25/1027345725.db2.gz BJBYIEUYUJGOBF-HNNXBMFYSA-N -1 0 336.464 3.565 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000414451675 1027472913 /nfs/dbraw/zinc/47/29/13/1027472913.db2.gz NZMGURKNRLBKFD-GFCCVEGCSA-N -1 0 329.400 3.685 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])C(=O)Nc1cc(OC)c(C(C)C)c(OC)c1 ZINC000634829126 1027524221 /nfs/dbraw/zinc/52/42/21/1027524221.db2.gz OCFVQBCLQSNDMV-SFHVURJKSA-N -1 0 337.416 3.657 20 0 EHADRM Cc1cc(NC(=O)COc2cccc(Cl)c2)cc(C(=O)[O-])c1C ZINC000320904158 1027534271 /nfs/dbraw/zinc/53/42/71/1027534271.db2.gz OPBDYCZHYRLJRS-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)s1 ZINC000475519157 1027559459 /nfs/dbraw/zinc/55/94/59/1027559459.db2.gz BTETUDCIKBMPRD-GXTWGEPZSA-N -1 0 348.447 3.509 20 0 EHADRM Cc1ccn2cc(C(=O)Nc3cc(Cl)c([O-])c(Cl)c3)nc2c1 ZINC000501982158 1027679598 /nfs/dbraw/zinc/67/95/98/1027679598.db2.gz FFEHLQFYPBKTKU-UHFFFAOYSA-N -1 0 336.178 3.907 20 0 EHADRM Cc1cc(N=c2[n-]nc(C3CC3)s2)cnc1N1CCCC[C@@H]1C ZINC000503273460 1027698485 /nfs/dbraw/zinc/69/84/85/1027698485.db2.gz CRFNDFGNWWSYHM-LBPRGKRZSA-N -1 0 329.473 3.663 20 0 EHADRM COc1cc(C)c(CNc2cccc(CCC(=O)[O-])c2)cc1OC ZINC000414650083 1027699126 /nfs/dbraw/zinc/69/91/26/1027699126.db2.gz FGKXPYRHBRVJFV-UHFFFAOYSA-N -1 0 329.396 3.642 20 0 EHADRM CC[C@@H](C(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1)c1ccccc1 ZINC000262535706 1027773241 /nfs/dbraw/zinc/77/32/41/1027773241.db2.gz JRPNOPXCMMFSDM-DGCLKSJQSA-N -1 0 332.425 3.521 20 0 EHADRM CC(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000614801643 1027806547 /nfs/dbraw/zinc/80/65/47/1027806547.db2.gz ZADAKLKDQUCGNW-UHFFFAOYSA-N -1 0 331.437 3.763 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)c1ccc(OC2CCCCC2)cc1 ZINC000422583989 1027809551 /nfs/dbraw/zinc/80/95/51/1027809551.db2.gz YPMAALFPPWWEAH-RDTXWAMCSA-N -1 0 345.439 3.723 20 0 EHADRM Cc1nccn1CCCCSc1n[n-]c(=Nc2ccccc2)s1 ZINC000502129141 1027810311 /nfs/dbraw/zinc/81/03/11/1027810311.db2.gz XMGVGSZOFDVEMV-UHFFFAOYSA-N -1 0 345.497 3.781 20 0 EHADRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc(C2CC2)cc1 ZINC000665863052 1027855758 /nfs/dbraw/zinc/85/57/58/1027855758.db2.gz UTAPNRLIDMUIJS-UHFFFAOYSA-N -1 0 339.420 3.547 20 0 EHADRM O=C([O-])C1(CC(=O)N(CCc2ccccc2)C2CCCC2)CCC1 ZINC000262550036 1027944152 /nfs/dbraw/zinc/94/41/52/1027944152.db2.gz SVOGAUIGAZWRKM-UHFFFAOYSA-N -1 0 329.440 3.645 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000582845317 1027990420 /nfs/dbraw/zinc/99/04/20/1027990420.db2.gz OZFGBZBMBBRJAI-JOYOIKCWSA-N -1 0 331.334 3.630 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N(C2CC2)[C@H]2CCc3ccccc32)CC1 ZINC000582847590 1028000068 /nfs/dbraw/zinc/00/00/68/1028000068.db2.gz XPMQLTGTEFAVHA-KJXMEXGPSA-N -1 0 341.451 3.946 20 0 EHADRM CCCc1nc(=NC(=O)c2ccc([C@@H](C)C(F)(F)F)cc2)s[n-]1 ZINC000455324248 1028039524 /nfs/dbraw/zinc/03/95/24/1028039524.db2.gz DJUUZDVYUMZKHB-SECBINFHSA-N -1 0 343.374 3.831 20 0 EHADRM C[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1noc(-c2ccccc2)n1 ZINC000134354231 1028116993 /nfs/dbraw/zinc/11/69/93/1028116993.db2.gz DABLNFVZWJXDIB-JTQLQIEISA-N -1 0 343.770 3.587 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2ccc(Br)[nH]c2=O)c1 ZINC001211960665 1028189954 /nfs/dbraw/zinc/18/99/54/1028189954.db2.gz HHQWMEHDZVQSGO-UHFFFAOYSA-N -1 0 343.564 3.645 20 0 EHADRM COC(=O)c1cnc(Nc2cc(Cl)cc(C(=O)[O-])c2)c(Cl)c1 ZINC001211961111 1028195359 /nfs/dbraw/zinc/19/53/59/1028195359.db2.gz VLLREQSBPCYVOB-UHFFFAOYSA-N -1 0 341.150 3.617 20 0 EHADRM COC(=O)c1ccnc(Cl)c1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211961076 1028196316 /nfs/dbraw/zinc/19/63/16/1028196316.db2.gz UJBYUGIFZXJYKZ-UHFFFAOYSA-N -1 0 341.150 3.617 20 0 EHADRM Cc1cccc2cc(S(=O)(=O)[N-]c3ccnn3C(C)C)sc21 ZINC000647265115 1028209668 /nfs/dbraw/zinc/20/96/68/1028209668.db2.gz FCOUBYUZPWLCIP-UHFFFAOYSA-N -1 0 335.454 3.788 20 0 EHADRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C)c(OC)c(C)c1 ZINC000614852470 1028211276 /nfs/dbraw/zinc/21/12/76/1028211276.db2.gz PQEPRHJETDSVJH-UHFFFAOYSA-N -1 0 349.452 3.820 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2cnc3c(C4CC4)cnn3c2)c1 ZINC001211962681 1028215682 /nfs/dbraw/zinc/21/56/82/1028215682.db2.gz LIUAZJDHNDEADM-UHFFFAOYSA-N -1 0 328.759 3.702 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nc(C)no3)ccc2C)s1 ZINC000614857242 1028263985 /nfs/dbraw/zinc/26/39/85/1028263985.db2.gz UPTQYJSOGUJXQF-UHFFFAOYSA-N -1 0 349.437 3.524 20 0 EHADRM COc1ccc(NC(C)=O)cc1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211965107 1028271465 /nfs/dbraw/zinc/27/14/65/1028271465.db2.gz OMYNFTYRKFYKGM-UHFFFAOYSA-N -1 0 334.759 3.749 20 0 EHADRM C[C@H]1CC[C@@H](NC(=O)N=c2[n-]nc(SCc3ccccc3)s2)C1 ZINC000444798834 1028290893 /nfs/dbraw/zinc/29/08/93/1028290893.db2.gz GGIQKIVTFZBNFP-WCQYABFASA-N -1 0 348.497 3.562 20 0 EHADRM COCCOc1ccc(Nc2cc(Cl)cc(C(=O)[O-])c2)cc1F ZINC001211967013 1028326127 /nfs/dbraw/zinc/32/61/27/1028326127.db2.gz RNQRNHBMZLJWBR-UHFFFAOYSA-N -1 0 339.750 3.946 20 0 EHADRM COc1cc(Nc2cc(Cl)cc(C(=O)[O-])c2)ccc1OC1COC1 ZINC001211967068 1028328482 /nfs/dbraw/zinc/32/84/82/1028328482.db2.gz UQUBBRVELHWSAJ-UHFFFAOYSA-N -1 0 349.770 3.568 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1c(Cl)cccc1Cl)CC(=O)[O-] ZINC000088272574 1028358414 /nfs/dbraw/zinc/35/84/14/1028358414.db2.gz OLNZSLXLPDDCAQ-JTQLQIEISA-N -1 0 332.227 3.860 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCC[C@H]1c1nc2c([nH]1)CCCC2 ZINC000277999301 1028420456 /nfs/dbraw/zinc/42/04/56/1028420456.db2.gz QNXURFYNDUNAMF-HNNXBMFYSA-N -1 0 345.830 3.625 20 0 EHADRM CCc1ncsc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000162017539 1028422747 /nfs/dbraw/zinc/42/27/47/1028422747.db2.gz USQOMMRAOCROHY-UHFFFAOYSA-N -1 0 336.360 3.525 20 0 EHADRM O=C(Nc1cccc(O)c1F)c1c(F)ccc(Br)c1F ZINC000579069681 1028429490 /nfs/dbraw/zinc/42/94/90/1028429490.db2.gz ANFVQKLTBDTKRF-UHFFFAOYSA-N -1 0 346.102 3.824 20 0 EHADRM COC(=O)[C@@H]1CCc2cc(Nc3cc(Cl)cc(C(=O)[O-])c3)ccc21 ZINC001211969543 1028438024 /nfs/dbraw/zinc/43/80/24/1028438024.db2.gz OPWSZXXJZSPORA-MRXNPFEDSA-N -1 0 345.782 3.985 20 0 EHADRM O=C([O-])/C=C/c1cnc(/C=C\c2cn3cc(Cl)ccc3n2)s1 ZINC000255564841 1028611744 /nfs/dbraw/zinc/61/17/44/1028611744.db2.gz MOICCZHCVMVGJI-JGDUWUCISA-N -1 0 331.784 3.712 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC000431517408 1028612283 /nfs/dbraw/zinc/61/22/83/1028612283.db2.gz GDODEXRAALXYTP-CYBMUJFWSA-N -1 0 339.391 3.840 20 0 EHADRM Cc1ccc2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2n1 ZINC000074858932 1028636836 /nfs/dbraw/zinc/63/68/36/1028636836.db2.gz OTJJFELFCRZNEF-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM COc1cccc(Cl)c1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000237268442 1028645498 /nfs/dbraw/zinc/64/54/98/1028645498.db2.gz WPVYNEUZPHWQMH-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000237435189 1028650110 /nfs/dbraw/zinc/65/01/10/1028650110.db2.gz OOWLFEKGJAAPCZ-SNVBAGLBSA-N -1 0 344.392 3.539 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1cccc(-n2cccc2)c1 ZINC000237668355 1028658179 /nfs/dbraw/zinc/65/81/79/1028658179.db2.gz UTDDZVHXILEHFH-IBGZPJMESA-N -1 0 348.402 3.732 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000523845727 1028671877 /nfs/dbraw/zinc/67/18/77/1028671877.db2.gz FAECFTREDBAUHM-MSOLQXFVSA-N -1 0 329.403 3.671 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000238087006 1028677013 /nfs/dbraw/zinc/67/70/13/1028677013.db2.gz HZYCYUQXVHPCAO-NEPJUHHUSA-N -1 0 347.773 3.848 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc3ccc(Cl)cc3n2)cc1 ZINC000238190585 1028681144 /nfs/dbraw/zinc/68/11/44/1028681144.db2.gz TVLDKERKTFBIJE-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM C[C@H](CN(C)C(=O)N=c1nc(C(C)(C)C)[n-]s1)c1ccccc1 ZINC000523927942 1028720325 /nfs/dbraw/zinc/72/03/25/1028720325.db2.gz VAMDLTQSGPMNOW-GFCCVEGCSA-N -1 0 332.473 3.525 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N2CCC[C@@H]3CCCC[C@H]32)c(C)c1 ZINC000247025672 1028729000 /nfs/dbraw/zinc/72/90/00/1028729000.db2.gz DLDRUZPDFRAICR-YGKZAACZSA-N -1 0 333.497 3.592 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2C)n1 ZINC000504549282 1028731953 /nfs/dbraw/zinc/73/19/53/1028731953.db2.gz TWRGXTRFLUFYHZ-UHFFFAOYSA-N -1 0 330.862 3.858 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)NCC1(c2ccccc2)CCCC1)C1CC1 ZINC000574705435 1028744587 /nfs/dbraw/zinc/74/45/87/1028744587.db2.gz BLFQDACVAMIBGA-KRWDZBQOSA-N -1 0 344.455 3.536 20 0 EHADRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1nc2ccsc2s1 ZINC000524024630 1028773867 /nfs/dbraw/zinc/77/38/67/1028773867.db2.gz NNHKAQHUFMFTLH-UHFFFAOYSA-N -1 0 328.415 3.606 20 0 EHADRM CC[C@H](C)Sc1ccc(NC(=O)[C@H](C)O[C@H](C)C(=O)[O-])c(C)c1 ZINC000421806377 1028792534 /nfs/dbraw/zinc/79/25/34/1028792534.db2.gz LWVXVBMXLUCWPO-RWMBFGLXSA-N -1 0 339.457 3.702 20 0 EHADRM Cc1nc(CN2CCC[C@@H](C)[C@@H]2C(=O)[O-])oc1-c1ccc(Cl)cc1 ZINC000424267025 1028924562 /nfs/dbraw/zinc/92/45/62/1028924562.db2.gz JSGOZZXCNLXOMJ-BDJLRTHQSA-N -1 0 348.830 3.989 20 0 EHADRM c1c2c(nn1C1CCCC1)[C@@H](N=c1nc(-c3ccccc3)o[n-]1)CCC2 ZINC000445602110 1028967042 /nfs/dbraw/zinc/96/70/42/1028967042.db2.gz SNTOKODYNVKWLK-KRWDZBQOSA-N -1 0 349.438 3.960 20 0 EHADRM Brc1cccc([C@H]2C[C@H]2N=c2[n-]nc(C3CC3)s2)c1 ZINC000532883358 1028975237 /nfs/dbraw/zinc/97/52/37/1028975237.db2.gz IHWICXXSCNHHKR-VXGBXAGGSA-N -1 0 336.258 3.568 20 0 EHADRM CCC(CC)(CNC(=O)N[C@H](c1ccco1)c1ccccc1)C(=O)[O-] ZINC000424392924 1029029917 /nfs/dbraw/zinc/02/99/17/1029029917.db2.gz VDVAOMPPRWNFCA-INIZCTEOSA-N -1 0 344.411 3.559 20 0 EHADRM CC(C)(CCNC(=O)N1CC[C@@](C)(CCc2ccccc2)C1)C(=O)[O-] ZINC000424401582 1029050015 /nfs/dbraw/zinc/05/00/15/1029050015.db2.gz DCGPIGXFNTZVPV-HXUWFJFHSA-N -1 0 346.471 3.542 20 0 EHADRM O=C(NCCc1ccc2ccccc2n1)c1ccc([O-])c(Cl)c1 ZINC000079705720 1029061314 /nfs/dbraw/zinc/06/13/14/1029061314.db2.gz SWSRSZNONAQHHW-UHFFFAOYSA-N -1 0 326.783 3.566 20 0 EHADRM O=C(Nc1nnc(-c2ccsc2)s1)c1ccc([O-])c(Cl)c1 ZINC000076993531 1029068986 /nfs/dbraw/zinc/06/89/86/1029068986.db2.gz SERAJNQWQAEYRS-UHFFFAOYSA-N -1 0 337.813 3.878 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N1CC[C@@H]1c1ccc(Cl)cc1)C(=O)[O-] ZINC000424426651 1029070602 /nfs/dbraw/zinc/07/06/02/1029070602.db2.gz TYVJIINOIQCMBD-DZGCQCFKSA-N -1 0 338.835 3.543 20 0 EHADRM CCCCOc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000614889050 1029075619 /nfs/dbraw/zinc/07/56/19/1029075619.db2.gz YSFPGZUYDIXFRE-UHFFFAOYSA-N -1 0 341.379 3.945 20 0 EHADRM COCc1cc(Cl)ccc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000424539132 1029112559 /nfs/dbraw/zinc/11/25/59/1029112559.db2.gz QZTDIHADCOSKCR-UHFFFAOYSA-N -1 0 339.819 3.850 20 0 EHADRM O=C([N-]OC1CCCC1)C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000271715248 1029136496 /nfs/dbraw/zinc/13/64/96/1029136496.db2.gz VWHPECMLRAKYJO-UHFFFAOYSA-N -1 0 348.468 3.650 20 0 EHADRM CCOc1ccc(-c2nc(CC(=O)[N-]OC3CCCC3)cs2)cc1 ZINC000271776567 1029165436 /nfs/dbraw/zinc/16/54/36/1029165436.db2.gz OPYPALHLXQMTMY-UHFFFAOYSA-N -1 0 346.452 3.742 20 0 EHADRM O=C(Cc1coc(-c2ccc(Cl)cc2)n1)[N-]OCCC(F)(F)F ZINC000162656861 1029197957 /nfs/dbraw/zinc/19/79/57/1029197957.db2.gz XRJNGGFCBMFXAL-UHFFFAOYSA-N -1 0 348.708 3.538 20 0 EHADRM CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2c([O-])cccc2F)c1 ZINC000124883507 1029356872 /nfs/dbraw/zinc/35/68/72/1029356872.db2.gz UPVLPKOZLXYBMR-DEOSSOPVSA-N -1 0 349.427 3.831 20 0 EHADRM CCO[C@H](CC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)C1=CCCC1 ZINC000431526009 1029362787 /nfs/dbraw/zinc/36/27/87/1029362787.db2.gz XNGRDKNBHKQCNB-QGZVFWFLSA-N -1 0 345.439 3.893 20 0 EHADRM CCCn1nc(C)c(/C=C\c2ncc(C(=O)[O-])c(C(C)C)n2)c1C ZINC000255734915 1029373038 /nfs/dbraw/zinc/37/30/38/1029373038.db2.gz QOVIODUPMCUWLM-FPLPWBNLSA-N -1 0 328.416 3.692 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000634887005 1029388756 /nfs/dbraw/zinc/38/87/56/1029388756.db2.gz WBCRXKSIZXFMEY-ROUUACIJSA-N -1 0 343.423 3.751 20 0 EHADRM C[C@@H]1CN(C(=O)CC2(CC(=O)[O-])CCC2)CC[C@H]1c1ccccc1 ZINC000634890902 1029405414 /nfs/dbraw/zinc/40/54/14/1029405414.db2.gz KLHDNGFQADQAPS-NVXWUHKLSA-N -1 0 329.440 3.674 20 0 EHADRM CCc1oc(C(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC000261616669 1029475586 /nfs/dbraw/zinc/47/55/86/1029475586.db2.gz GUXBROBLRDTSCJ-ZBFHGGJFSA-N -1 0 341.407 3.996 20 0 EHADRM CCc1oc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1C(=O)[O-] ZINC000261692059 1029481911 /nfs/dbraw/zinc/48/19/11/1029481911.db2.gz RVYFGXWHEOKNHF-CYBMUJFWSA-N -1 0 343.379 3.572 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cnn(CC(C)C)c2C2CC2)c1 ZINC000272703102 1029573027 /nfs/dbraw/zinc/57/30/27/1029573027.db2.gz SSPDGOOEJRVUEO-UHFFFAOYSA-N -1 0 341.411 3.577 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2Cc2cccc(F)c2)c(F)c1 ZINC000262415020 1029591125 /nfs/dbraw/zinc/59/11/25/1029591125.db2.gz PSILKFSDEGDVDA-OAHLLOKOSA-N -1 0 345.345 3.510 20 0 EHADRM COc1ccc2c(c1)C[C@@H](C)N(C(=O)CC1(C(=O)[O-])CCCC1)[C@H]2C ZINC000634910646 1029603981 /nfs/dbraw/zinc/60/39/81/1029603981.db2.gz HSYDVJJOMWXGPY-KGLIPLIRSA-N -1 0 345.439 3.565 20 0 EHADRM Cc1nc([C@H](C)NC(=O)c2cc(C)cc(Cl)c2)sc1C(=O)[O-] ZINC000262718544 1029626993 /nfs/dbraw/zinc/62/69/93/1029626993.db2.gz DHFIRACJDOLOSZ-VIFPVBQESA-N -1 0 338.816 3.603 20 0 EHADRM Cc1nc(C(=O)N2CCC[C@H]2CC2CCCCC2)ccc1C(=O)[O-] ZINC000262742265 1029629457 /nfs/dbraw/zinc/62/94/57/1029629457.db2.gz AMZBROQNIJYXAL-HNNXBMFYSA-N -1 0 330.428 3.663 20 0 EHADRM O=C([O-])CC1(NC(=O)Cc2cc3c(ccc4ccccc34)o2)CCC1 ZINC000262751099 1029629749 /nfs/dbraw/zinc/62/97/49/1029629749.db2.gz IVLACAOYGNWZND-UHFFFAOYSA-N -1 0 337.375 3.642 20 0 EHADRM CCCC[C@@H](C)C(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC000262885525 1029647433 /nfs/dbraw/zinc/64/74/33/1029647433.db2.gz CNBXZXIKFRCYRF-OAHLLOKOSA-N -1 0 331.456 3.992 20 0 EHADRM CCCC[C@H](C)C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000263080136 1029664975 /nfs/dbraw/zinc/66/49/75/1029664975.db2.gz GWOUSAFGAIJGNT-LBPRGKRZSA-N -1 0 327.371 3.594 20 0 EHADRM CCCn1ccc2ccc(NC(=O)NC(C)(C)CCC(=O)[O-])cc21 ZINC000263115610 1029667363 /nfs/dbraw/zinc/66/73/63/1029667363.db2.gz WDYBOKQETRZOTH-UHFFFAOYSA-N -1 0 331.416 3.816 20 0 EHADRM CCC[C@@H](CNC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000263166800 1029670185 /nfs/dbraw/zinc/67/01/85/1029670185.db2.gz KFHDTBCKJRUGOI-AAEUAGOBSA-N -1 0 345.361 3.816 20 0 EHADRM COCc1cc(NC(=O)C[C@@H](C)c2ccccc2C)cc(C(=O)[O-])c1 ZINC000263155888 1029670267 /nfs/dbraw/zinc/67/02/67/1029670267.db2.gz XQPGWZGZGRRXIE-CQSZACIVSA-N -1 0 341.407 3.972 20 0 EHADRM CC[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)CC[C@@H]1c1ccccc1 ZINC000263174610 1029671881 /nfs/dbraw/zinc/67/18/81/1029671881.db2.gz GKJWBJBMKNKKHN-BGTYHANMSA-N -1 0 329.440 3.530 20 0 EHADRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)[C@@H](C)CC2CCCC2)c1 ZINC000263268394 1029682688 /nfs/dbraw/zinc/68/26/88/1029682688.db2.gz XDQKCCUOETYMLP-XOBRGWDASA-N -1 0 347.455 3.718 20 0 EHADRM C/C=C/C[C@H](NC(=O)C[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000263282101 1029683232 /nfs/dbraw/zinc/68/32/32/1029683232.db2.gz OSGANEWICVWYPE-CESFYWBNSA-N -1 0 343.345 3.735 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C2(c3cccs3)CCCCC2)C1 ZINC000263314417 1029687206 /nfs/dbraw/zinc/68/72/06/1029687206.db2.gz IMVLRNJNBLIQIS-ZIAGYGMSSA-N -1 0 335.469 3.519 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000263370806 1029691969 /nfs/dbraw/zinc/69/19/69/1029691969.db2.gz VHJVRMWUHMTNMZ-DTWKUNHWSA-N -1 0 349.736 3.542 20 0 EHADRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)[C@H]1C[C@H]1c1ccccc1Cl ZINC000263389805 1029693352 /nfs/dbraw/zinc/69/33/52/1029693352.db2.gz COJRPCPAFSXZJC-HOSILWTGSA-N -1 0 335.831 3.593 20 0 EHADRM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)cc1 ZINC000263383692 1029693778 /nfs/dbraw/zinc/69/37/78/1029693778.db2.gz XTIHAXZBAZWNTH-RUGDWHBFSA-N -1 0 329.440 3.625 20 0 EHADRM CC(C)(C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1)C1CCCC1 ZINC000263450427 1029698997 /nfs/dbraw/zinc/69/89/97/1029698997.db2.gz SDPNDISEMZVNDP-QGZVFWFLSA-N -1 0 331.456 3.795 20 0 EHADRM CC(C)(CCC(=O)[O-])Nc1nn2cc(-c3ccc(F)cc3)nc2s1 ZINC000263442476 1029699520 /nfs/dbraw/zinc/69/95/20/1029699520.db2.gz XLOUECAXRIEJIV-UHFFFAOYSA-N -1 0 348.403 3.652 20 0 EHADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)Nc1cc(Cl)cc(Cl)c1)C2 ZINC000263474997 1029702512 /nfs/dbraw/zinc/70/25/12/1029702512.db2.gz IYKKCMGRFRRVGB-BJOHPYRUSA-N -1 0 343.210 3.712 20 0 EHADRM Cc1cccc(Oc2ccccc2C(=O)N[C@@H](C)[C@H](C)C(=O)[O-])c1 ZINC000263506984 1029705389 /nfs/dbraw/zinc/70/53/89/1029705389.db2.gz BJWXCZCXVNEYOG-KBPBESRZSA-N -1 0 327.380 3.626 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000263525906 1029706615 /nfs/dbraw/zinc/70/66/15/1029706615.db2.gz JTXNPKCFNXWJES-VAMGGRTRSA-N -1 0 349.430 3.722 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000263520416 1029706680 /nfs/dbraw/zinc/70/66/80/1029706680.db2.gz GYIDCBRLYFKTCL-DLBZAZTESA-N -1 0 341.407 3.652 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)c2cc(C(C)C)oc2C)sc1C(=O)[O-] ZINC000263527547 1029709185 /nfs/dbraw/zinc/70/91/85/1029709185.db2.gz KSZCLCIVKQZXBR-SECBINFHSA-N -1 0 336.413 3.666 20 0 EHADRM CCN(CC(C)(C)C)C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000615113037 1029746511 /nfs/dbraw/zinc/74/65/11/1029746511.db2.gz KZYQXHBUNLKOGW-UHFFFAOYSA-N -1 0 335.835 3.740 20 0 EHADRM C[C@H]1CCCCCN1C(=O)N=c1[n-]nc(/C=C\c2ccco2)s1 ZINC000343210588 1029767313 /nfs/dbraw/zinc/76/73/13/1029767313.db2.gz CNDMGUROMMJRQD-LAUAKBEESA-N -1 0 332.429 3.520 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)N(Cc1ccco1)Cc1cccs1 ZINC000324432532 1029806263 /nfs/dbraw/zinc/80/62/63/1029806263.db2.gz CNBYUMBKOHMKPN-CVEARBPZSA-N -1 0 345.420 3.537 20 0 EHADRM CCC1(CC)CCN(C(=O)N=c2nc(-c3ccccc3)[n-]s2)C1 ZINC000446842038 1029822989 /nfs/dbraw/zinc/82/29/89/1029822989.db2.gz CDGGAOHRAJBMEA-UHFFFAOYSA-N -1 0 330.457 3.671 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nc(C3CCC3)cs2)cc(C)c1F ZINC000446959379 1029863771 /nfs/dbraw/zinc/86/37/71/1029863771.db2.gz JNGKYYYZQFLMFM-UHFFFAOYSA-N -1 0 340.445 3.967 20 0 EHADRM COc1cc(SC)ccc1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000446984469 1029874609 /nfs/dbraw/zinc/87/46/09/1029874609.db2.gz IHRZXRGJAIIDKQ-UHFFFAOYSA-N -1 0 340.404 3.511 20 0 EHADRM CCc1[nH]nc([N-]S(=O)(=O)c2ccccc2C)c1-c1cccs1 ZINC000446970434 1029877058 /nfs/dbraw/zinc/87/70/58/1029877058.db2.gz ASYFHCIGYOOFKU-UHFFFAOYSA-N -1 0 347.465 3.810 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccc(Br)c(C)c1 ZINC000525533719 1029884398 /nfs/dbraw/zinc/88/43/98/1029884398.db2.gz SNQJPDWBWQJRBD-UHFFFAOYSA-N -1 0 346.271 3.928 20 0 EHADRM CC[C@@H](CCO)CN=c1[n-]nc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000447054793 1029893612 /nfs/dbraw/zinc/89/36/12/1029893612.db2.gz BRMIVHWYOYPCLL-VIFPVBQESA-N -1 0 346.283 3.754 20 0 EHADRM c1sc(-c2ccccc2)nc1CN=c1[n-]nc(-c2ccccc2)o1 ZINC000508585396 1029913659 /nfs/dbraw/zinc/91/36/59/1029913659.db2.gz CNRIUMSYHWMVPJ-UHFFFAOYSA-N -1 0 334.404 3.894 20 0 EHADRM Cc1cc([C@H](C)N2CCO[C@H](CCc3ccccc3)C2)oc1C(=O)[O-] ZINC000583504996 1029957926 /nfs/dbraw/zinc/95/79/26/1029957926.db2.gz NUTWSHKSQUJWCM-DOTOQJQBSA-N -1 0 343.423 3.681 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)c1scnc1C1CCCC1)C(=O)[O-] ZINC000455799933 1029981454 /nfs/dbraw/zinc/98/14/54/1029981454.db2.gz SVJYYFBYVAQPTR-GFCCVEGCSA-N -1 0 338.473 3.810 20 0 EHADRM CC(C)[C@H](NC(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1)C(=O)[O-] ZINC000583518816 1030004399 /nfs/dbraw/zinc/00/43/99/1030004399.db2.gz JCXJBSHWWKSDEF-HNNXBMFYSA-N -1 0 347.415 3.647 20 0 EHADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C3CCC3)cc2)o1 ZINC000447271711 1030059503 /nfs/dbraw/zinc/05/95/03/1030059503.db2.gz AHYIUSCAOBOJQK-UHFFFAOYSA-N -1 0 349.408 3.525 20 0 EHADRM COCCSCCCSc1n[n-]c(=NC2CCCCC2)s1 ZINC000447293195 1030075793 /nfs/dbraw/zinc/07/57/93/1030075793.db2.gz AEBIZVISLOLMKL-UHFFFAOYSA-N -1 0 347.575 3.566 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)s1 ZINC000090166990 1030078586 /nfs/dbraw/zinc/07/85/86/1030078586.db2.gz SCJIZUZPTFJFCN-UHFFFAOYSA-N -1 0 336.360 3.525 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3F)nc2)o1 ZINC000447275081 1030078428 /nfs/dbraw/zinc/07/84/28/1030078428.db2.gz QIHICKWVWQIJGL-UHFFFAOYSA-N -1 0 348.355 3.715 20 0 EHADRM Cc1cc2sc([N-]S(=O)(=O)c3cccs3)nc2cc1F ZINC000481888043 1030086143 /nfs/dbraw/zinc/08/61/43/1030086143.db2.gz JIKGHDMBVAOQDN-UHFFFAOYSA-N -1 0 328.415 3.606 20 0 EHADRM C[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccccc1C#N)c1ccccc1 ZINC000042306202 1030098080 /nfs/dbraw/zinc/09/80/80/1030098080.db2.gz CTHKAHVOFLJXNM-CQSZACIVSA-N -1 0 342.420 3.538 20 0 EHADRM Cc1ccc(C)c(OC2CCN(C(=O)c3c([O-])cccc3F)CC2)c1 ZINC000120697712 1030098341 /nfs/dbraw/zinc/09/83/41/1030098341.db2.gz UDPGJYXBAWQLLG-UHFFFAOYSA-N -1 0 343.398 3.832 20 0 EHADRM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1sc(C)nc1C ZINC000481885313 1030102420 /nfs/dbraw/zinc/10/24/20/1030102420.db2.gz GUPNSFCLACHYCJ-UHFFFAOYSA-N -1 0 338.498 3.994 20 0 EHADRM CC[C@H](C)[C@@H](C)C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000431534097 1030238252 /nfs/dbraw/zinc/23/82/52/1030238252.db2.gz WGEISYUSFMAEPE-HDMKZQKVSA-N -1 0 341.451 3.882 20 0 EHADRM O=S(=O)([N-]C1(c2ccc(Cl)cc2)CC1)c1c(F)cccc1F ZINC000482186196 1030245305 /nfs/dbraw/zinc/24/53/05/1030245305.db2.gz MUNYAUMDBMSVTJ-UHFFFAOYSA-N -1 0 343.782 3.586 20 0 EHADRM CCOCc1cccc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)c1 ZINC000121598536 1030304158 /nfs/dbraw/zinc/30/41/58/1030304158.db2.gz FPQYQGNQGLKWFT-UHFFFAOYSA-N -1 0 341.379 3.611 20 0 EHADRM COC(=O)c1cccc2nc(Nc3ccc(C)c(C(=O)[O-])c3)sc21 ZINC001211592325 1030373600 /nfs/dbraw/zinc/37/36/00/1030373600.db2.gz UECFTNWBBSAMEX-UHFFFAOYSA-N -1 0 342.376 3.833 20 0 EHADRM Cc1ccc(Nc2cnc3ccc(Br)cn23)cc1C(=O)[O-] ZINC001211593861 1030461928 /nfs/dbraw/zinc/46/19/28/1030461928.db2.gz CRUPDNZRRWSYAI-UHFFFAOYSA-N -1 0 346.184 3.847 20 0 EHADRM Cc1ccc(Nc2cc(F)cnc2Br)cc1C(=O)[O-] ZINC001211594295 1030475880 /nfs/dbraw/zinc/47/58/80/1030475880.db2.gz RDHLZPSISHWHBS-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)c3oc(-c4ccccc4)nc3C)[nH][n-]2)o1 ZINC000447797780 1030481868 /nfs/dbraw/zinc/48/18/68/1030481868.db2.gz NQLPAZPVUNZGIS-UHFFFAOYSA-N -1 0 348.362 3.616 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2noc3ccc(Cl)cc32)cc1C ZINC000427792229 1030496948 /nfs/dbraw/zinc/49/69/48/1030496948.db2.gz HHVOIDRLOGDYML-UHFFFAOYSA-N -1 0 336.800 3.899 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])NC(=O)[C@H](C)CC2CCCC2)c1 ZINC000532260197 1030524757 /nfs/dbraw/zinc/52/47/57/1030524757.db2.gz UVOLGQZSDJJNHG-CXAGYDPISA-N -1 0 333.428 3.544 20 0 EHADRM CC1(C)Cc2cc(NC(=O)CC3(C(=O)[O-])CCCCC3)ccc2O1 ZINC000532345924 1030572531 /nfs/dbraw/zinc/57/25/31/1030572531.db2.gz KHEJHVGRJMOGHY-UHFFFAOYSA-N -1 0 331.412 3.764 20 0 EHADRM C[C@@H]1CN(C(=O)c2cccc(Br)c2[O-])c2ccccc2O1 ZINC000537641129 1030591523 /nfs/dbraw/zinc/59/15/23/1030591523.db2.gz NKNHHFZVAWKJMB-SNVBAGLBSA-N -1 0 348.196 3.582 20 0 EHADRM CCC1(C)CCN(C(=O)N=c2[n-]nc(/C=C\c3ccco3)s2)CC1 ZINC000343391821 1030661017 /nfs/dbraw/zinc/66/10/17/1030661017.db2.gz OAHLVKVRWQMTHW-SREVYHEPSA-N -1 0 346.456 3.767 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)cc1 ZINC000194485767 1030705344 /nfs/dbraw/zinc/70/53/44/1030705344.db2.gz PXSYWAMXRQBGSE-DVECYGJZSA-N -1 0 347.455 3.755 20 0 EHADRM COc1nc(C(F)(F)F)ccc1-c1nc(C(=O)[O-])c(C2CC2)s1 ZINC000583823688 1030858351 /nfs/dbraw/zinc/85/83/51/1030858351.db2.gz DUFHKWVFGGHVFV-UHFFFAOYSA-N -1 0 344.314 3.808 20 0 EHADRM Cc1ccc(Nc2cnc(Br)c(F)c2)cc1C(=O)[O-] ZINC001211599619 1030861425 /nfs/dbraw/zinc/86/14/25/1030861425.db2.gz QCJIVGMEAYVOSS-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)Nc2ccccc2OC2CCCC2)CC1 ZINC000262725088 1030866011 /nfs/dbraw/zinc/86/60/11/1030866011.db2.gz RWZOIJVPNPPEAV-HDJSIYSDSA-N -1 0 331.412 3.838 20 0 EHADRM Cc1ccc2nc(CN=c3[n-]nc(C[C@@H](C)CC(C)(C)C)o3)cn2c1 ZINC000551070941 1031017956 /nfs/dbraw/zinc/01/79/56/1031017956.db2.gz JIFFVBORQACBNQ-CQSZACIVSA-N -1 0 341.459 3.675 20 0 EHADRM CC(=CC(=O)[N-]S(=O)(=O)c1ccccc1F)c1ccc(F)cc1 ZINC000065644728 1031164221 /nfs/dbraw/zinc/16/42/21/1031164221.db2.gz LCOAYCILMLHWKR-KHPPLWFESA-N -1 0 337.347 3.714 20 0 EHADRM Cc1noc(C(C)C)c1C(=O)N=c1cc(-c2cccc(F)c2)o[nH]1 ZINC000448539841 1031184469 /nfs/dbraw/zinc/18/44/69/1031184469.db2.gz XBNZVCZAZGNKJM-UHFFFAOYSA-N -1 0 329.331 3.575 20 0 EHADRM Cc1ccc(NC(=O)c2ccccc2OC(F)(F)F)cc1C(=O)[O-] ZINC000431540840 1031369803 /nfs/dbraw/zinc/36/98/03/1031369803.db2.gz ZCCXLAPITFZXAP-UHFFFAOYSA-N -1 0 339.269 3.844 20 0 EHADRM Cc1ccccc1-c1nc(=N[C@@H](C)c2cnn(C(C)C)c2)s[n-]1 ZINC000527893357 1031387328 /nfs/dbraw/zinc/38/73/28/1031387328.db2.gz MMPKLIHWNZSQSW-ZDUSSCGKSA-N -1 0 327.457 3.886 20 0 EHADRM CCCC[C@@H](CCC)NC(=O)N=c1[n-]nc(CC(F)(F)F)s1 ZINC000483961409 1031404132 /nfs/dbraw/zinc/40/41/32/1031404132.db2.gz NERVASHHUDFRQY-SECBINFHSA-N -1 0 338.399 3.545 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)N([C@@H](C)C2CC2)C2CC2)cc1 ZINC000176436968 1031436605 /nfs/dbraw/zinc/43/66/05/1031436605.db2.gz ATPFFCOVXWSLDY-PSLXWICFSA-N -1 0 333.497 3.707 20 0 EHADRM CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000484089693 1031450917 /nfs/dbraw/zinc/45/09/17/1031450917.db2.gz STPBHWGYCOGAPO-UHFFFAOYSA-N -1 0 345.342 3.692 20 0 EHADRM C[C@@H]1CCC[C@H](C)N(C(=O)N=c2[n-]nc(/C=C\c3ccco3)s2)C1 ZINC000484092912 1031452117 /nfs/dbraw/zinc/45/21/17/1031452117.db2.gz BUIYFGUBXCCTEZ-MPBQIQEOSA-N -1 0 346.456 3.766 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NC2CCC(c3ccc(F)cc3)CC2)C1 ZINC000668314354 1031462250 /nfs/dbraw/zinc/46/22/50/1031462250.db2.gz NDXWVFNYAGTSEO-NDUQDZPOSA-N -1 0 347.430 3.859 20 0 EHADRM CC[C@H]1CCCN(C(=O)c2cc(Br)c(F)cc2[O-])C1 ZINC000448702910 1031481657 /nfs/dbraw/zinc/48/16/57/1031481657.db2.gz WJRWFAIHLWBYHF-VIFPVBQESA-N -1 0 330.197 3.556 20 0 EHADRM Cc1ccc([C@@H]2CCN(C(=O)Cc3ccc(C(=O)[O-])cc3)C2)c(C)c1 ZINC000668322001 1031482951 /nfs/dbraw/zinc/48/29/51/1031482951.db2.gz GNISHMFBHGPVMQ-GOSISDBHSA-N -1 0 337.419 3.560 20 0 EHADRM Cc1ccccc1O[C@@H](C)CNC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000194766456 1031485450 /nfs/dbraw/zinc/48/54/50/1031485450.db2.gz KMQKXRSPLDKGKG-NSHDSACASA-N -1 0 337.778 3.690 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@@H]2C[C@H]2c2cccc3ccccc32)C1 ZINC000668323105 1031491286 /nfs/dbraw/zinc/49/12/86/1031491286.db2.gz OYGBHCDEBJMFDA-QGWWYQLQSA-N -1 0 337.419 3.703 20 0 EHADRM CCN(C(=O)c1cc(Br)c(F)cc1[O-])C1CCCC1 ZINC000448720349 1031503273 /nfs/dbraw/zinc/50/32/73/1031503273.db2.gz PYECOERQZFCLIU-UHFFFAOYSA-N -1 0 330.197 3.699 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1cc(F)c([O-])c(Cl)c1)c1cccnc1 ZINC000194816181 1031542881 /nfs/dbraw/zinc/54/28/81/1031542881.db2.gz HJLZTOPCUUAYIR-CYBMUJFWSA-N -1 0 336.794 3.749 20 0 EHADRM CC(C)c1ccc(S(=O)(=O)[N-]c2n[nH]c3cccc(F)c32)cc1 ZINC000484438679 1031574507 /nfs/dbraw/zinc/57/45/07/1031574507.db2.gz XMXSUIJEWNJHIY-UHFFFAOYSA-N -1 0 333.388 3.626 20 0 EHADRM CC(C)c1c[nH]c(CN[C@H](CC(=O)[O-])c2ccc(C(C)C)cc2)n1 ZINC000904002306 1031587332 /nfs/dbraw/zinc/58/73/32/1031587332.db2.gz RYBMYBPTPKZFDR-MRXNPFEDSA-N -1 0 329.444 3.962 20 0 EHADRM CC[C@H](Cc1ccc(NCc2cn3cccc(F)c3n2)cc1)C(=O)[O-] ZINC000904015245 1031600900 /nfs/dbraw/zinc/60/09/00/1031600900.db2.gz JNODGTCULJBXPU-CQSZACIVSA-N -1 0 341.386 3.739 20 0 EHADRM CC[C@@H](Cc1ccc(NCc2cc3c(cc[nH]c3=O)o2)cc1)C(=O)[O-] ZINC000904015042 1031601521 /nfs/dbraw/zinc/60/15/21/1031601521.db2.gz CNSAYXUQPHVYSQ-ZDUSSCGKSA-N -1 0 340.379 3.799 20 0 EHADRM COc1cc(C)cc(CNc2ccc(C[C@H](C)C(=O)[O-])cc2)c1OC ZINC000904015780 1031603519 /nfs/dbraw/zinc/60/35/19/1031603519.db2.gz XFBCZHWNDFTSMP-AWEZNQCLSA-N -1 0 343.423 3.888 20 0 EHADRM C[C@H](Sc1ccc(NCc2c(C3CCC3)cnn2C)cc1)C(=O)[O-] ZINC000904016858 1031605831 /nfs/dbraw/zinc/60/58/31/1031605831.db2.gz FMLMLINFHQNKTL-LBPRGKRZSA-N -1 0 345.468 3.865 20 0 EHADRM C[C@H](NCc1ccc(C(F)(F)F)s1)c1nc(C(=O)[O-])cs1 ZINC000904023033 1031617065 /nfs/dbraw/zinc/61/70/65/1031617065.db2.gz FSNLDHDRTHOTGV-LURJTMIESA-N -1 0 336.360 3.772 20 0 EHADRM COCc1ccccc1/C=C(\C)CNc1ccc(CC(=O)[O-])cc1 ZINC000904010773 1031629145 /nfs/dbraw/zinc/62/91/45/1031629145.db2.gz OKSVEPUSBWNDQR-RVDMUPIBSA-N -1 0 325.408 3.976 20 0 EHADRM CCC1CCN(C(=O)c2cc(Br)c(F)cc2[O-])CC1 ZINC000448753563 1031639934 /nfs/dbraw/zinc/63/99/34/1031639934.db2.gz QEZKVYXKUMGRKJ-UHFFFAOYSA-N -1 0 330.197 3.556 20 0 EHADRM CSCc1cnc(CN[C@@H](CC(=O)[O-])c2cccc(C)c2)s1 ZINC000904044471 1031661568 /nfs/dbraw/zinc/66/15/68/1031661568.db2.gz ARHSVXRPPGIODL-AWEZNQCLSA-N -1 0 336.482 3.620 20 0 EHADRM CC(C)n1ccnc1CN[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000904025741 1031669609 /nfs/dbraw/zinc/66/96/09/1031669609.db2.gz JFVRNNJBYFHQAX-AWEZNQCLSA-N -1 0 342.226 3.686 20 0 EHADRM COC1([C@H](NCc2ccc(-c3ccccc3Cl)o2)C(=O)[O-])CCC1 ZINC000904048006 1031696457 /nfs/dbraw/zinc/69/64/57/1031696457.db2.gz LZRVZTWTSIZIEH-MRXNPFEDSA-N -1 0 349.814 3.712 20 0 EHADRM Cc1ccc(C)c(CC(=O)NCc2ccc(O)c(Br)c2)c1 ZINC000151620772 1031746653 /nfs/dbraw/zinc/74/66/53/1031746653.db2.gz PDHLGSNWMWBTHR-UHFFFAOYSA-N -1 0 348.240 3.630 20 0 EHADRM COCCOc1ccc(-c2cc(F)cc(C3(C(=O)[O-])CC3)c2)cc1 ZINC000584124569 1031763297 /nfs/dbraw/zinc/76/32/97/1031763297.db2.gz IXPDVYMVTWKSRE-UHFFFAOYSA-N -1 0 330.355 3.634 20 0 EHADRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)cc1F ZINC000475741614 1031765136 /nfs/dbraw/zinc/76/51/36/1031765136.db2.gz ZIBYUJYLBVMLSD-UHFFFAOYSA-N -1 0 349.305 3.675 20 0 EHADRM COC(=O)c1ccc(=N[C@H](C)c2ccc(Cl)c3ccccc32)[n-]n1 ZINC000613185502 1031791994 /nfs/dbraw/zinc/79/19/94/1031791994.db2.gz PAZIARLHAYDLOG-LLVKDONJSA-N -1 0 341.798 3.665 20 0 EHADRM COCc1ccccc1S(=O)(=O)[N-]c1ccccc1OCC(C)C ZINC000484631849 1031826377 /nfs/dbraw/zinc/82/63/77/1031826377.db2.gz VFSGRVXABPEPGR-UHFFFAOYSA-N -1 0 349.452 3.669 20 0 EHADRM O=C([O-])N[C@@H]1C[C@@H](Nc2cccc(-c3nccs3)c2)C12CCC2 ZINC000904189269 1031833724 /nfs/dbraw/zinc/83/37/24/1031833724.db2.gz HIARYPOLVTZVDG-ZIAGYGMSSA-N -1 0 329.425 3.801 20 0 EHADRM O=C([O-])N[C@@H]1C[C@H](Nc2ccc(OC(F)F)c(Cl)c2)C12CCC2 ZINC000904194412 1031840400 /nfs/dbraw/zinc/84/04/00/1031840400.db2.gz FKKGZMBKDTVALX-NWDGAFQWSA-N -1 0 346.761 3.932 20 0 EHADRM Cc1cc(N2CCCC2)ccc1N[C@H]1C[C@@H](NC(=O)[O-])C12CCC2 ZINC000904195464 1031844025 /nfs/dbraw/zinc/84/40/25/1031844025.db2.gz OQQOMNPUQWEAAU-DLBZAZTESA-N -1 0 329.444 3.586 20 0 EHADRM Cc1ccc(-c2ncco2)cc1N[C@@H]1C[C@H](NC(=O)[O-])C12CCC2 ZINC000904201043 1031848601 /nfs/dbraw/zinc/84/86/01/1031848601.db2.gz XOMDBDZDCBSASY-CABCVRRESA-N -1 0 327.384 3.641 20 0 EHADRM CC(C)c1n[n-]c(=N[C@@H]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)o1 ZINC000584169547 1031861196 /nfs/dbraw/zinc/86/11/96/1031861196.db2.gz CYDVUFKNAPCBDF-CHWSQXEVSA-N -1 0 325.416 3.630 20 0 EHADRM CCc1c(N[C@@H]2C[C@@H](NC(=O)[O-])C23CCC3)cnn1C(CC)CC ZINC000904234139 1031883661 /nfs/dbraw/zinc/88/36/61/1031883661.db2.gz DYJYMKZAGKCTFP-HZPDHXFCSA-N -1 0 334.464 3.797 20 0 EHADRM Cc1sc([N-]S(=O)(=O)Cc2ccc(F)cc2)nc1C(C)C ZINC000584183309 1031886841 /nfs/dbraw/zinc/88/68/41/1031886841.db2.gz CTFHJUSGFXONMW-UHFFFAOYSA-N -1 0 328.434 3.656 20 0 EHADRM Cc1c(N[C@@H]2C[C@H](NC(=O)[O-])C23CCC3)cccc1-c1ncco1 ZINC000904242227 1031887883 /nfs/dbraw/zinc/88/78/83/1031887883.db2.gz HJDTYRWIGDBBAX-CABCVRRESA-N -1 0 327.384 3.641 20 0 EHADRM Cc1cccc([C@H](N=c2[n-]nc(C3CCOCC3)s2)C(C)C)c1 ZINC000528210550 1031908840 /nfs/dbraw/zinc/90/88/40/1031908840.db2.gz CGKNWKJYQCHHGH-MRXNPFEDSA-N -1 0 331.485 3.972 20 0 EHADRM COc1ccccc1N=c1[n-]nc(S[C@@H](C)c2ncc(C)o2)s1 ZINC000537795903 1031920915 /nfs/dbraw/zinc/92/09/15/1031920915.db2.gz RFTJQXHAKGXKGE-JTQLQIEISA-N -1 0 348.453 3.862 20 0 EHADRM CCC(CC)c1nnc([N-]S(=O)(=O)c2cccc(C)c2F)s1 ZINC000181050399 1031940698 /nfs/dbraw/zinc/94/06/98/1031940698.db2.gz MOYYLJMPKSDPGX-UHFFFAOYSA-N -1 0 343.449 3.690 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000537838866 1031954382 /nfs/dbraw/zinc/95/43/82/1031954382.db2.gz YLEPATMTJXPVME-UHFFFAOYSA-N -1 0 347.436 3.601 20 0 EHADRM CC(C)c1ccsc1C(=O)NC[C@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC000449000628 1032010187 /nfs/dbraw/zinc/01/01/87/1032010187.db2.gz YKKIZVHGDPGHOD-SFHVURJKSA-N -1 0 349.427 3.783 20 0 EHADRM CCc1ncc(S(=O)(=O)[N-]c2ccc(O[C@H](C)CC)cc2)s1 ZINC000460764527 1032013186 /nfs/dbraw/zinc/01/31/86/1032013186.db2.gz ZJSNGLKNAWWIPA-LLVKDONJSA-N -1 0 340.470 3.684 20 0 EHADRM Cc1c(Cl)cccc1N=c1[n-]nc(SCC2(C)COC2)s1 ZINC000607759265 1033306038 /nfs/dbraw/zinc/30/60/38/1033306038.db2.gz ALPRNVURKJPEIH-UHFFFAOYSA-N -1 0 341.889 3.794 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2cc(Cl)c(Cl)cc2F)C1 ZINC000263125085 1033313126 /nfs/dbraw/zinc/31/31/26/1033313126.db2.gz MLOYQFCZBRXFAR-HTQZYQBOSA-N -1 0 349.189 3.707 20 0 EHADRM CCCCc1n[n-]c(=NCc2cnc(-c3ccc(C)cc3)s2)o1 ZINC000537490178 1033389443 /nfs/dbraw/zinc/38/94/43/1033389443.db2.gz AEAQDMPULIQRFP-UHFFFAOYSA-N -1 0 328.441 3.878 20 0 EHADRM CC(C)(C)c1coc(NC(=O)c2ccc(Br)c([O-])c2)n1 ZINC000898301729 1033444023 /nfs/dbraw/zinc/44/40/23/1033444023.db2.gz GGQDLQAHVDNFHH-UHFFFAOYSA-N -1 0 339.189 3.693 20 0 EHADRM CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000105389490 1033455462 /nfs/dbraw/zinc/45/54/62/1033455462.db2.gz QWUKBDYFXPLAPT-UHFFFAOYSA-N -1 0 347.845 3.610 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])[S@](=O)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000594659153 1033494316 /nfs/dbraw/zinc/49/43/16/1033494316.db2.gz MLQXXLJJZWQSKZ-WIUDPPPLSA-N -1 0 342.766 3.717 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@@H](CC2CC2)c2ccccc2)s1 ZINC000608267490 1033563526 /nfs/dbraw/zinc/56/35/26/1033563526.db2.gz CAENHJCSBZIDMK-AWEZNQCLSA-N -1 0 330.457 3.575 20 0 EHADRM CC(C)(C)n1cnc(=NC(=O)c2cc3cccc(Cl)c3s2)[n-]1 ZINC000574811285 1033568476 /nfs/dbraw/zinc/56/84/76/1033568476.db2.gz GVBCTOOPVFMRHE-UHFFFAOYSA-N -1 0 334.832 3.575 20 0 EHADRM Cc1ccc(Cc2n[n-]c(=NC(=O)N[C@H]3CCCC[C@H]3C)s2)cc1 ZINC000594942029 1033587834 /nfs/dbraw/zinc/58/78/34/1033587834.db2.gz BBHTUBZVOZWSJZ-HIFRSBDPSA-N -1 0 344.484 3.559 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1c(N)ccc(Br)c1F ZINC001211626576 1033588170 /nfs/dbraw/zinc/58/81/70/1033588170.db2.gz MIFQXWDWKTXVNL-UHFFFAOYSA-N -1 0 339.164 3.921 20 0 EHADRM COc1ccc(C(=O)[O-])cc1NCc1cc(Br)cs1 ZINC000107007730 1033641416 /nfs/dbraw/zinc/64/14/16/1033641416.db2.gz JCPWDKDHXHZBOA-UHFFFAOYSA-N -1 0 342.214 3.830 20 0 EHADRM O=C([O-])[C@H]1CCCCCN1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000080990589 1033697494 /nfs/dbraw/zinc/69/74/94/1033697494.db2.gz ZPSLRXSMFCIYHE-GFCCVEGCSA-N -1 0 331.199 3.855 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)[C@H]2CCCC3(CC3)C2)c1 ZINC000595244791 1033719310 /nfs/dbraw/zinc/71/93/10/1033719310.db2.gz MSCXBYXLPYLFMZ-AWEZNQCLSA-N -1 0 333.453 3.913 20 0 EHADRM Cc1c(Cl)cccc1NC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000550650688 1033807585 /nfs/dbraw/zinc/80/75/85/1033807585.db2.gz SUOQLWFKAWLMJH-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM CC[C@H]1CCCCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000084406643 1033913935 /nfs/dbraw/zinc/91/39/35/1033913935.db2.gz ZOZLFFDBTPQXSE-AWEZNQCLSA-N -1 0 331.391 3.512 20 0 EHADRM Cc1cccc2sc([N-]S(=O)(=O)c3cc(F)cc(F)c3)nc21 ZINC000612042302 1033918313 /nfs/dbraw/zinc/91/83/13/1033918313.db2.gz LRTOETBJHAPDKE-UHFFFAOYSA-N -1 0 340.376 3.684 20 0 EHADRM CCCCOc1ccc([C@H](C)N=c2[n-]nc(C(C)C)o2)cc1OC ZINC000450262647 1034004360 /nfs/dbraw/zinc/00/43/60/1034004360.db2.gz UDQGKEWRIZSCPJ-ZDUSSCGKSA-N -1 0 333.432 3.976 20 0 EHADRM CCN(c1ccc(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)cn1)C(C)C ZINC000534142082 1034159120 /nfs/dbraw/zinc/15/91/20/1034159120.db2.gz VCMXOGYZTXGZJH-UHFFFAOYSA-N -1 0 341.411 3.575 20 0 EHADRM CN(C(=O)N=c1[n-]nc(C(C)(C)c2ccccc2)s1)C1CCCC1 ZINC000604155851 1034250467 /nfs/dbraw/zinc/25/04/67/1034250467.db2.gz ZROICRDSZNZSFO-UHFFFAOYSA-N -1 0 344.484 3.692 20 0 EHADRM O=C(NCC1CCc2ccccc2CC1)c1cc(F)c(F)c([O-])c1F ZINC000529610016 1034258360 /nfs/dbraw/zinc/25/83/60/1034258360.db2.gz JDQFJHSDIIFPKW-UHFFFAOYSA-N -1 0 349.352 3.735 20 0 EHADRM COc1ccc([C@H](Cc2ccc(F)cc2)[N-]C(=O)C(F)(F)F)cc1 ZINC000171277737 1034292032 /nfs/dbraw/zinc/29/20/32/1034292032.db2.gz QDYOBBIEIWDGJJ-HNNXBMFYSA-N -1 0 341.304 3.797 20 0 EHADRM Cc1c(Br)cccc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000227873699 1034327759 /nfs/dbraw/zinc/32/77/59/1034327759.db2.gz PQYKCFNVHORERF-UHFFFAOYSA-N -1 0 328.206 3.587 20 0 EHADRM COc1ccc([C@@H]([N-]C(=O)C(F)(F)F)c2ccc(F)cc2)cc1 ZINC000171465762 1034396067 /nfs/dbraw/zinc/39/60/67/1034396067.db2.gz DKYKRKZBQPXHPS-AWEZNQCLSA-N -1 0 327.277 3.602 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C1(Oc2ccccc2F)CC1 ZINC000450518466 1034458468 /nfs/dbraw/zinc/45/84/68/1034458468.db2.gz JDPVLPLVTQVUAH-UHFFFAOYSA-N -1 0 343.354 3.691 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)Cc1ccccc1C(=O)[O-] ZINC000450529762 1034485832 /nfs/dbraw/zinc/48/58/32/1034485832.db2.gz AEFHUWPDJUWYDY-NVXWUHKLSA-N -1 0 337.419 3.722 20 0 EHADRM COc1cnccc1[C@H](C)/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000187742977 1034496322 /nfs/dbraw/zinc/49/63/22/1034496322.db2.gz ILCVJTQZOPPNAP-LLADZKGESA-N -1 0 335.747 3.538 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)[C@H](C)S[C@H](C)C(=O)[O-] ZINC000597027261 1034503309 /nfs/dbraw/zinc/50/33/09/1034503309.db2.gz XFRUPJIXQDRZDG-WDEREUQCSA-N -1 0 339.457 3.526 20 0 EHADRM CC[C@@H](C(=O)N[C@H](CCC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000193450512 1034506322 /nfs/dbraw/zinc/50/63/22/1034506322.db2.gz KLKYTCWJWCYLSO-QZTJIDSGSA-N -1 0 325.408 3.903 20 0 EHADRM Cc1cc(C)cc([C@H](C)NC(=O)N=c2nc(C(C)(C)C)[n-]s2)c1 ZINC000604800697 1034508874 /nfs/dbraw/zinc/50/88/74/1034508874.db2.gz FYYIIIQTMUYCQF-LBPRGKRZSA-N -1 0 332.473 3.757 20 0 EHADRM CC1(C(=O)[O-])CCN(c2nccc3cc(C(F)(F)F)ccc32)CC1 ZINC000647457704 1034593441 /nfs/dbraw/zinc/59/34/41/1034593441.db2.gz ZWQFWHPMEKXKTF-UHFFFAOYSA-N -1 0 338.329 3.945 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1OC(F)F ZINC000513385467 1034642655 /nfs/dbraw/zinc/64/26/55/1034642655.db2.gz XBOZTGOPQSCMCP-UHFFFAOYSA-N -1 0 349.305 3.675 20 0 EHADRM Cc1nc([N-]S(=O)(=O)c2ccc(C)cc2)sc1-c1ccccc1 ZINC000060512770 1034661960 /nfs/dbraw/zinc/66/19/60/1034661960.db2.gz YQFARIZZXIKVKT-UHFFFAOYSA-N -1 0 344.461 3.650 20 0 EHADRM CCCc1nc(C)c(CSc2n[n-]c(=NCC(C)C)s2)o1 ZINC000450745174 1034750042 /nfs/dbraw/zinc/75/00/42/1034750042.db2.gz CWQVIKMQUCFVGG-UHFFFAOYSA-N -1 0 326.491 3.569 20 0 EHADRM Cc1ccsc1CNC(=O)c1cc(Br)cc(F)c1[O-] ZINC001625882359 1034795960 /nfs/dbraw/zinc/79/59/60/1034795960.db2.gz FLWPBYLFQVTNSU-UHFFFAOYSA-N -1 0 344.205 3.594 20 0 EHADRM C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1)c1cccc(F)c1 ZINC000076767022 1034816089 /nfs/dbraw/zinc/81/60/89/1034816089.db2.gz YVALEMYIXVJAOE-VIFPVBQESA-N -1 0 343.326 3.553 20 0 EHADRM CSCc1ccc(NC(=O)[C@@](C)(CC(=O)[O-])c2ccsc2)cc1 ZINC000601986971 1034849815 /nfs/dbraw/zinc/84/98/15/1034849815.db2.gz WASRQAWIKDLYJS-KRWDZBQOSA-N -1 0 349.477 3.982 20 0 EHADRM CCCC[C@H](Sc1nc(-c2cccnc2)nc2c1CCC2)C(=O)[O-] ZINC000584480820 1034926874 /nfs/dbraw/zinc/92/68/74/1034926874.db2.gz PIUPXUVDEVUVBN-HNNXBMFYSA-N -1 0 343.452 3.763 20 0 EHADRM Cc1csc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C)c1 ZINC000450964001 1034989134 /nfs/dbraw/zinc/98/91/34/1034989134.db2.gz BEIYCPASRLQHPH-UHFFFAOYSA-N -1 0 336.482 3.766 20 0 EHADRM O=C([O-])[C@@H]1c2ccoc2CCN1Cc1csc(C2CCCC2)n1 ZINC000530165899 1035014281 /nfs/dbraw/zinc/01/42/81/1035014281.db2.gz JRYPANVXJCOFLX-HNNXBMFYSA-N -1 0 332.425 3.578 20 0 EHADRM CC(C)n1nc2c(c1[N-]S(=O)(=O)c1ccc(C3CC3)cc1)CCC2 ZINC000451004994 1035023853 /nfs/dbraw/zinc/02/38/53/1035023853.db2.gz XKKDBTRCQHFSDL-UHFFFAOYSA-N -1 0 345.468 3.631 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)[C@H]1CCC[C@@H]1C(=O)[O-] ZINC000317068102 1035241337 /nfs/dbraw/zinc/24/13/37/1035241337.db2.gz WFNKTESZDIGGJF-RYUDHWBXSA-N -1 0 325.792 3.568 20 0 EHADRM Cc1cscc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000161590407 1035272562 /nfs/dbraw/zinc/27/25/62/1035272562.db2.gz XDUCKYWUBXYFCK-UHFFFAOYSA-N -1 0 337.344 3.756 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccnn2C2CCCCC2)c1 ZINC000066248306 1035326601 /nfs/dbraw/zinc/32/66/01/1035326601.db2.gz GGYDGMAPTBYYEP-UHFFFAOYSA-N -1 0 337.420 3.637 20 0 EHADRM Cc1c(C(=O)Nc2ccc3[n-]c(=S)oc3c2)oc2c1C(=O)CCC2 ZINC000177750839 1035362419 /nfs/dbraw/zinc/36/24/19/1035362419.db2.gz WDBWSADSSFJFPH-UHFFFAOYSA-N -1 0 342.376 3.789 20 0 EHADRM CSc1ccc(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)cc1 ZINC001213187207 1035462008 /nfs/dbraw/zinc/46/20/08/1035462008.db2.gz DBRNHYIWAAAUJP-UHFFFAOYSA-N -1 0 330.409 3.955 20 0 EHADRM O=C(Nc1ccc2c(c1)C(=O)CCC2)c1ccc2[n-]c(=S)oc2c1 ZINC000177970479 1035477506 /nfs/dbraw/zinc/47/75/06/1035477506.db2.gz XJMITMYEDHBVSF-UHFFFAOYSA-N -1 0 338.388 3.888 20 0 EHADRM C[C@H](NCc1cc(O)cc(F)c1)c1nc(-c2cccc(F)c2)no1 ZINC000185560344 1035494441 /nfs/dbraw/zinc/49/44/41/1035494441.db2.gz ONTJDMLPYBPFML-JTQLQIEISA-N -1 0 331.322 3.571 20 0 EHADRM Cc1ccc(Br)cc1C[S@@](=O)[C@@H](CC(C)C)C(=O)[O-] ZINC000571498870 1035510833 /nfs/dbraw/zinc/51/08/33/1035510833.db2.gz ZLZWHNICFUSFFQ-ORAYPTAESA-N -1 0 347.274 3.506 20 0 EHADRM C[C@](CC(=O)N[C@@H]1CCC12CCCC2)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000414103339 1035514141 /nfs/dbraw/zinc/51/41/41/1035514141.db2.gz UJJSPNDBIAAWTA-CRAIPNDOSA-N -1 0 349.858 3.911 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)C[C@H](C)c1cccc(F)c1 ZINC000237534901 1035531576 /nfs/dbraw/zinc/53/15/76/1035531576.db2.gz IGYWZCVCFLATCL-KBXCAEBGSA-N -1 0 343.398 3.960 20 0 EHADRM Cc1ccc(SC2(C(=O)NCC3(C(=O)[O-])CCC3)CCCC2)cc1 ZINC000540668830 1035556935 /nfs/dbraw/zinc/55/69/35/1035556935.db2.gz BZSYCLUBAUEWHG-UHFFFAOYSA-N -1 0 347.480 3.771 20 0 EHADRM C[C@@H](CC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1)CC(C)(C)C ZINC000613326983 1035571822 /nfs/dbraw/zinc/57/18/22/1035571822.db2.gz XDTDEYCYEWMEEP-NSHDSACASA-N -1 0 335.473 3.818 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc(Cl)ccc1F)C1CCCCC1 ZINC000540704020 1035584135 /nfs/dbraw/zinc/58/41/35/1035584135.db2.gz YGUIOELDRVGYOH-AWEZNQCLSA-N -1 0 327.783 3.633 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)CCCO2)c1c(F)cccc1Cl ZINC000463521152 1035599867 /nfs/dbraw/zinc/59/98/67/1035599867.db2.gz UACXTIQFGHUANU-UHFFFAOYSA-N -1 0 341.791 3.605 20 0 EHADRM CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc([O-])c(Cl)c1 ZINC000023955078 1035604011 /nfs/dbraw/zinc/60/40/11/1035604011.db2.gz QPEYGYXTPSIEIG-UHFFFAOYSA-N -1 0 349.814 3.725 20 0 EHADRM COc1cc(C(=O)N[C@H](CC(=O)[O-])C2CCCCC2)ccc1Cl ZINC000431804597 1035619379 /nfs/dbraw/zinc/61/93/79/1035619379.db2.gz KVEBXASMPKQBLA-CQSZACIVSA-N -1 0 339.819 3.502 20 0 EHADRM CC(C)(C)C[C@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C1 ZINC000457023357 1035621986 /nfs/dbraw/zinc/62/19/86/1035621986.db2.gz OJLUGGOPTWAONW-CYBMUJFWSA-N -1 0 345.418 3.615 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1cccc2c1CN(C(C)C)C2 ZINC000186530978 1035655246 /nfs/dbraw/zinc/65/52/46/1035655246.db2.gz WNWHHSNNQADQKX-UHFFFAOYSA-N -1 0 348.443 3.659 20 0 EHADRM C[C@@H](Oc1n[n-]c(=O)cc1Cl)c1cccc(Br)c1F ZINC001233589431 1035675447 /nfs/dbraw/zinc/67/54/47/1035675447.db2.gz JNWNZKMSLUXODX-ZCFIWIBFSA-N -1 0 347.571 3.877 20 0 EHADRM COc1ccccc1[C@@H]1CCCN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000186776231 1035713136 /nfs/dbraw/zinc/71/31/36/1035713136.db2.gz WSRHKOAAVHTQIM-HNNXBMFYSA-N -1 0 333.334 3.656 20 0 EHADRM CO[C@@H](c1ccccc1Cl)[C@@H](C)N=c1nc(C(C)C)[n-]s1 ZINC000540869576 1035749820 /nfs/dbraw/zinc/74/98/20/1035749820.db2.gz WYVBHCRNMJTGSE-ZWNOBZJWSA-N -1 0 325.865 3.925 20 0 EHADRM CCOc1cccc(-c2ccc([S@@](=O)CCCC(=O)[O-])cc2)c1 ZINC000571895152 1035779706 /nfs/dbraw/zinc/77/97/06/1035779706.db2.gz PMWAAMQRVOKOKF-QHCPKHFHSA-N -1 0 332.421 3.725 20 0 EHADRM COc1cc(F)c(S(=O)(=O)[N-]c2cc(Cl)ccc2C)c(F)c1 ZINC000588625285 1035918874 /nfs/dbraw/zinc/91/88/74/1035918874.db2.gz IGUMEUADGFAHBG-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1cc(Cl)c([O-])cc1F)C2 ZINC000376303374 1035954583 /nfs/dbraw/zinc/95/45/83/1035954583.db2.gz YPMKJJAANVTOKK-MRXNPFEDSA-N -1 0 335.762 3.744 20 0 EHADRM COc1cccc(N=c2[n-]nc(S[C@H](C)C(F)(F)F)s2)c1 ZINC000466994834 1035975977 /nfs/dbraw/zinc/97/59/77/1035975977.db2.gz MOZLPMAOHIIZJM-SSDOTTSWSA-N -1 0 335.376 3.755 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)CCCC1 ZINC000572408723 1036080526 /nfs/dbraw/zinc/08/05/26/1036080526.db2.gz JJZJSBSDOWDDBL-UHFFFAOYSA-N -1 0 344.342 3.597 20 0 EHADRM O=C1CCCc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc21 ZINC000175013196 1036153476 /nfs/dbraw/zinc/15/34/76/1036153476.db2.gz YTKBFWHNDWCIDE-UHFFFAOYSA-N -1 0 341.841 3.721 20 0 EHADRM CC(C)Oc1cccc(/C=C\C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC000492800732 1036318590 /nfs/dbraw/zinc/31/85/90/1036318590.db2.gz PPFIDPDRCHNQAF-SECOEOQKSA-N -1 0 345.439 3.590 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(C)s2)n(-c2ccccc2C)n1 ZINC000589263521 1036325224 /nfs/dbraw/zinc/32/52/24/1036325224.db2.gz HWQBYDJQIWDZGZ-UHFFFAOYSA-N -1 0 347.465 3.660 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2nc3ccccc3s2)cc1C ZINC000589263962 1036325861 /nfs/dbraw/zinc/32/58/61/1036325861.db2.gz WPXZUJAFQXOSPK-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM O=C(/C=C/c1ccnc(Cl)c1)Nc1cc(Cl)c([O-])cc1F ZINC000492897332 1036387769 /nfs/dbraw/zinc/38/77/69/1036387769.db2.gz RUHVUFDBBQQHAE-OWOJBTEDSA-N -1 0 327.142 3.885 20 0 EHADRM Cc1nc(=NC(=O)c2cc(-c3ccccc3)ccc2Cl)s[n-]1 ZINC000464416241 1036421150 /nfs/dbraw/zinc/42/11/50/1036421150.db2.gz APDQZBXFZHSPCD-UHFFFAOYSA-N -1 0 329.812 3.841 20 0 EHADRM CCCCOc1ccccc1[N-]S(=O)(=O)c1cccc(OC)c1 ZINC000589433583 1036425851 /nfs/dbraw/zinc/42/58/51/1036425851.db2.gz GSZLTTAKKSEDFR-UHFFFAOYSA-N -1 0 335.425 3.675 20 0 EHADRM Cc1cc(C2CC2)nc([N-]S(=O)(=O)c2cccc3ccccc32)n1 ZINC000191809367 1036431010 /nfs/dbraw/zinc/43/10/10/1036431010.db2.gz NTUUJRQIGPGULV-UHFFFAOYSA-N -1 0 339.420 3.616 20 0 EHADRM Cc1nc(=NC(=O)C[C@H](Cc2ccccc2)c2ccccc2)s[n-]1 ZINC000464430681 1036431463 /nfs/dbraw/zinc/43/14/63/1036431463.db2.gz QNHPGYLVRYYNDI-KRWDZBQOSA-N -1 0 337.448 3.624 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cnc(C(F)(F)F)cc2C)c1F ZINC000685902609 1036508024 /nfs/dbraw/zinc/50/80/24/1036508024.db2.gz QAIHQPMZWUWNAW-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])Cc1csc(Nc2ccccc2C)n1 ZINC000572890664 1036529932 /nfs/dbraw/zinc/52/99/32/1036529932.db2.gz IVWIXOFHYBHRRY-ZDUSSCGKSA-N -1 0 333.457 3.880 20 0 EHADRM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)NCc1ccc(O)c(F)c1 ZINC000175804602 1036574632 /nfs/dbraw/zinc/57/46/32/1036574632.db2.gz HPUREUZTVVUCQW-XJKSGUPXSA-N -1 0 328.387 3.619 20 0 EHADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000263199009 1036625056 /nfs/dbraw/zinc/62/50/56/1036625056.db2.gz YKNBBDCRWSYDFV-QWRGUYRKSA-N -1 0 333.771 3.535 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)C[C@H]2CCCCC2(C)C)c1OC ZINC000263219273 1036643481 /nfs/dbraw/zinc/64/34/81/1036643481.db2.gz YJOBUEYWHYRNKA-CYBMUJFWSA-N -1 0 349.427 3.947 20 0 EHADRM COc1cc2ccccc2cc1C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000589935926 1036666506 /nfs/dbraw/zinc/66/65/06/1036666506.db2.gz KIVDPXUQGFYJDA-UHFFFAOYSA-N -1 0 341.436 3.672 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000589937336 1036666813 /nfs/dbraw/zinc/66/68/13/1036666813.db2.gz LAZXHLJZUBBHIM-LBPRGKRZSA-N -1 0 347.484 3.789 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)Cc2ccc(Cl)c(Cl)c2)s[n-]1 ZINC000589936777 1036667432 /nfs/dbraw/zinc/66/74/32/1036667432.db2.gz XDWDAETXEADXKB-UHFFFAOYSA-N -1 0 344.267 3.746 20 0 EHADRM CCCCOc1ccc(C(=O)N=c2nc(C(C)(C)C)[n-]s2)cc1 ZINC000589936358 1036667849 /nfs/dbraw/zinc/66/78/49/1036667849.db2.gz RJLJOXKEVIDXMC-UHFFFAOYSA-N -1 0 333.457 3.689 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)c1O ZINC000669821268 1036700151 /nfs/dbraw/zinc/70/01/51/1036700151.db2.gz UFVHIRXJXKMTCJ-UHFFFAOYSA-N -1 0 345.342 3.829 20 0 EHADRM CCCCCN(Cc1ccc(F)cc1)C(=O)c1cc(C(=O)[O-])co1 ZINC000541841654 1036705592 /nfs/dbraw/zinc/70/55/92/1036705592.db2.gz IGTTYUBDAGWQKM-UHFFFAOYSA-N -1 0 333.359 3.950 20 0 EHADRM CC[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000263244943 1036734560 /nfs/dbraw/zinc/73/45/60/1036734560.db2.gz UNELRXLYZQWCJU-BPNCWPANSA-N -1 0 343.345 3.521 20 0 EHADRM FC(F)(F)c1n[n-]c(=NCc2ccc(-c3ccccc3)s2)o1 ZINC000472589966 1036734501 /nfs/dbraw/zinc/73/45/01/1036734501.db2.gz RGAQUYVPWLPTLE-UHFFFAOYSA-N -1 0 325.315 3.851 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cc(-c3cccc(F)c3)no2)c1 ZINC000541903457 1036808344 /nfs/dbraw/zinc/80/83/44/1036808344.db2.gz LLXPGBQCMQJKRZ-UHFFFAOYSA-N -1 0 340.310 3.641 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cc(-c2cccs2)[nH]n1 ZINC000349456358 1036841897 /nfs/dbraw/zinc/84/18/97/1036841897.db2.gz AZJDTVODASLPAK-UHFFFAOYSA-N -1 0 341.392 3.706 20 0 EHADRM Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)c1 ZINC000464834238 1036843147 /nfs/dbraw/zinc/84/31/47/1036843147.db2.gz GKGITTPEPUDYQP-UHFFFAOYSA-N -1 0 345.342 3.829 20 0 EHADRM C[C@H](C(=O)N1CCC[C@]1(C)C(=O)[O-])c1c(Cl)cccc1Cl ZINC000666364268 1036922282 /nfs/dbraw/zinc/92/22/82/1036922282.db2.gz ILVCUPKHJYKYSN-BJOHPYRUSA-N -1 0 330.211 3.563 20 0 EHADRM c1nc(CN=c2nc(C3CCCC3)[n-]s2)oc1-c1ccccc1 ZINC000572987041 1036925630 /nfs/dbraw/zinc/92/56/30/1036925630.db2.gz NMHBWIZDMOZKFG-UHFFFAOYSA-N -1 0 326.425 3.885 20 0 EHADRM Cc1ccc(CC(=O)Nc2ccc3c(ccn3CC(=O)[O-])c2)cc1C ZINC000539572443 1036932511 /nfs/dbraw/zinc/93/25/11/1036932511.db2.gz DJSKPAOFQYAAEU-UHFFFAOYSA-N -1 0 336.391 3.524 20 0 EHADRM C[C@H](CN(C)C(=O)Nc1ccc(SC2CCCC2)cc1)C(=O)[O-] ZINC000263458601 1036947180 /nfs/dbraw/zinc/94/71/80/1036947180.db2.gz CTTIHIUWDAUJNX-GFCCVEGCSA-N -1 0 336.457 3.906 20 0 EHADRM Nc1c(Cl)cc(-c2cccc(CO[C@H]3CCOC3)c2)cc1C(=O)[O-] ZINC000519426125 1036975537 /nfs/dbraw/zinc/97/55/37/1036975537.db2.gz FLOMDCHRGNRICM-AWEZNQCLSA-N -1 0 347.798 3.593 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N[C@H](C)c1oc2ccc(OC)cc2c1C ZINC000653282033 1036976904 /nfs/dbraw/zinc/97/69/04/1036976904.db2.gz JLLVASAOFNPMKO-GFCCVEGCSA-N -1 0 347.411 3.818 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc3c2OCO3)s1 ZINC000542013452 1036977252 /nfs/dbraw/zinc/97/72/52/1036977252.db2.gz XJVCIOIDTDPOEC-UHFFFAOYSA-N -1 0 339.438 3.575 20 0 EHADRM O=C(N=c1nc(Cc2ccccc2)[n-]s1)c1cc(F)cc(Cl)c1 ZINC000464966783 1037016145 /nfs/dbraw/zinc/01/61/45/1037016145.db2.gz FPPJURRKZYSKLB-UHFFFAOYSA-N -1 0 347.802 3.596 20 0 EHADRM CCCOc1cccc(CC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000263510421 1037020129 /nfs/dbraw/zinc/02/01/29/1037020129.db2.gz CDNDSPORFWOZDO-UHFFFAOYSA-N -1 0 341.407 3.972 20 0 EHADRM O=C(N[C@@H](c1nccs1)c1ccccc1)c1c([O-])cc(F)cc1F ZINC000590965095 1037145180 /nfs/dbraw/zinc/14/51/80/1037145180.db2.gz AMHUMGJJYQDDIX-OAHLLOKOSA-N -1 0 346.358 3.646 20 0 EHADRM Cc1cc(-c2ccc(O[C@H](C)C(=O)[O-])cc2)ccc1O[C@H]1CCOC1 ZINC000573022217 1037158069 /nfs/dbraw/zinc/15/80/69/1037158069.db2.gz XCZPYSTUVXJXTL-KDOFPFPSSA-N -1 0 342.391 3.682 20 0 EHADRM CC(=O)c1c(F)cccc1N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263570214 1037166225 /nfs/dbraw/zinc/16/62/25/1037166225.db2.gz ZXBBNNZQLZGLIC-HNNXBMFYSA-N -1 0 329.371 3.916 20 0 EHADRM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000263581785 1037171557 /nfs/dbraw/zinc/17/15/57/1037171557.db2.gz XQIBBHXNCVVCCB-BTRQGYIVSA-N -1 0 343.467 3.981 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2nn(C3CCCCC3)cc2C)cc1 ZINC000542231647 1037197729 /nfs/dbraw/zinc/19/77/29/1037197729.db2.gz CEHZNFQXKSWGLJ-UHFFFAOYSA-N -1 0 349.456 3.506 20 0 EHADRM C[C@@H](CCC1CC1)NC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666542967 1037201751 /nfs/dbraw/zinc/20/17/51/1037201751.db2.gz QKMDAPPUEULGTI-AWEZNQCLSA-N -1 0 344.455 3.853 20 0 EHADRM C[C@H]1CC[C@@H](CNC(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)C1 ZINC000666545983 1037202956 /nfs/dbraw/zinc/20/29/56/1037202956.db2.gz ITPALNYSIHCKEV-LSDHHAIUSA-N -1 0 344.455 3.710 20 0 EHADRM COc1ccc(Cc2noc(-c3cccc(Cl)c3[O-])n2)cc1F ZINC000761414360 1037203603 /nfs/dbraw/zinc/20/36/03/1037203603.db2.gz IGDVOXZIBUZWHQ-UHFFFAOYSA-N -1 0 334.734 3.834 20 0 EHADRM CC[C@@H]1CCC[C@H]1NC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666533887 1037206401 /nfs/dbraw/zinc/20/64/01/1037206401.db2.gz BMVFHYCYZQESKS-RDTXWAMCSA-N -1 0 344.455 3.853 20 0 EHADRM Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)NCCCCC(=O)[O-] ZINC000666559109 1037208331 /nfs/dbraw/zinc/20/83/31/1037208331.db2.gz PYAVDDPMSFEPBY-MRXNPFEDSA-N -1 0 334.460 3.979 20 0 EHADRM CCC[C@@H](C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000659118770 1037293218 /nfs/dbraw/zinc/29/32/18/1037293218.db2.gz AJQODRHLIPQKCD-CVEARBPZSA-N -1 0 349.858 3.937 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCSC[C@@H]1c1ccc(C)cc1 ZINC000659122987 1037301997 /nfs/dbraw/zinc/30/19/97/1037301997.db2.gz RBRTVGDOCVSDNI-OAHLLOKOSA-N -1 0 345.420 3.525 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000659128279 1037328877 /nfs/dbraw/zinc/32/88/77/1037328877.db2.gz RWGIVBQCHFOCNH-FUHWJXTLSA-N -1 0 337.419 3.911 20 0 EHADRM CC(=O)Nc1cccc(NC(=O)c2cc(F)cc(Cl)c2[O-])c1C ZINC000177029463 1037332441 /nfs/dbraw/zinc/33/24/41/1037332441.db2.gz LYPLSQGDCVEOGO-UHFFFAOYSA-N -1 0 336.750 3.704 20 0 EHADRM C[C@H](Cc1ccco1)C(=O)NCc1c(C(=O)[O-])sc2ccsc21 ZINC000659133857 1037336894 /nfs/dbraw/zinc/33/68/94/1037336894.db2.gz CYIYAYJCSAZMIP-SECBINFHSA-N -1 0 349.433 3.749 20 0 EHADRM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1cc(Cl)cc2ccccc21 ZINC000659152004 1037374341 /nfs/dbraw/zinc/37/43/41/1037374341.db2.gz NKILNKPKBKMDSL-PVUWLOKVSA-N -1 0 343.810 3.819 20 0 EHADRM CC(C)c1cccc(C(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)c1 ZINC000659161426 1037408024 /nfs/dbraw/zinc/40/80/24/1037408024.db2.gz WIFGLMJGWBVKKQ-OALUTQOASA-N -1 0 337.419 3.750 20 0 EHADRM C[C@@]1(Cc2ccccc2Cl)CCCN1C(=O)c1cc(C(=O)[O-])co1 ZINC000659173631 1037415223 /nfs/dbraw/zinc/41/52/23/1037415223.db2.gz PROMASSZTQXGSZ-SFHVURJKSA-N -1 0 347.798 3.869 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2ccc(Cl)c(C)c2)n1 ZINC000659181821 1037433447 /nfs/dbraw/zinc/43/34/47/1037433447.db2.gz DNFCVZBUYUGDFU-CYBMUJFWSA-N -1 0 335.791 3.523 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2cc(C)n(C(C)C)c2C)n1 ZINC000659186054 1037440329 /nfs/dbraw/zinc/44/03/29/1037440329.db2.gz ULHHXABNVKNNEL-OAHLLOKOSA-N -1 0 346.431 3.560 20 0 EHADRM CC(C)c1ccc(OCC(=O)[N-]S(=O)(=O)C2CCCCC2)cc1 ZINC000058071065 1037449630 /nfs/dbraw/zinc/44/96/30/1037449630.db2.gz YKRYOZUHURUFDP-UHFFFAOYSA-N -1 0 339.457 3.808 20 0 EHADRM Cc1ccccc1SCC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000659193156 1037462050 /nfs/dbraw/zinc/46/20/50/1037462050.db2.gz INKFRVJYORLBIH-HRCADAONSA-N -1 0 347.480 3.579 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC000659209703 1037480549 /nfs/dbraw/zinc/48/05/49/1037480549.db2.gz KUYSVHZMEBDJAF-NSHDSACASA-N -1 0 335.400 3.580 20 0 EHADRM O=C(N=c1[n-]nc(C2CC2)s1)N[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000573420207 1037489412 /nfs/dbraw/zinc/48/94/12/1037489412.db2.gz LSAIVPZCPAJFKW-HUUCEWRRSA-N -1 0 342.468 3.685 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC000659226049 1037523454 /nfs/dbraw/zinc/52/34/54/1037523454.db2.gz SUGSYULZWJZCQN-ZDUSSCGKSA-N -1 0 329.371 3.642 20 0 EHADRM CN(C[C@H]1CCc2ccccc21)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000659235411 1037550834 /nfs/dbraw/zinc/55/08/34/1037550834.db2.gz XSYGDRDOTKCQFO-GOSISDBHSA-N -1 0 337.419 3.506 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N[C@@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000659236829 1037551859 /nfs/dbraw/zinc/55/18/59/1037551859.db2.gz NSAKMVVUEVZMMC-CXAGYDPISA-N -1 0 335.400 3.722 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1cc(Cc2ccccn2)ccc1C ZINC000653288598 1037554779 /nfs/dbraw/zinc/55/47/79/1037554779.db2.gz YBSNWISXIJBVMQ-UHFFFAOYSA-N -1 0 340.423 3.810 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1ccccc1Cc1ccccc1 ZINC000659234148 1037556135 /nfs/dbraw/zinc/55/61/35/1037556135.db2.gz HPYZKWIGYIAWDE-GHTZIAJQSA-N -1 0 337.419 3.651 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000659239818 1037560790 /nfs/dbraw/zinc/56/07/90/1037560790.db2.gz WCPPZXCTPZSMCL-WKRCXCSHSA-N -1 0 337.419 3.703 20 0 EHADRM CC[C@H](C)c1ncc([N-]S(=O)(=O)c2cc(C)c(Cl)s2)cn1 ZINC000478701523 1037621348 /nfs/dbraw/zinc/62/13/48/1037621348.db2.gz IOBLMMMGRZVVFF-QMMMGPOBSA-N -1 0 345.877 3.814 20 0 EHADRM CCCn1ccc2ccc([N-]S(=O)(=O)c3ccccc3F)cc21 ZINC000460832382 1037659162 /nfs/dbraw/zinc/65/91/62/1037659162.db2.gz YFCKVGWCFKRZGX-UHFFFAOYSA-N -1 0 332.400 3.991 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nc3ccsc3s2)sc1C ZINC000540203916 1037681320 /nfs/dbraw/zinc/68/13/20/1037681320.db2.gz BLRNILZRDXJWHY-UHFFFAOYSA-N -1 0 330.481 3.837 20 0 EHADRM COc1ccccc1[C@@H](NC(=O)c1ccc(C)cc1O)c1ccccn1 ZINC000089848903 1037732502 /nfs/dbraw/zinc/73/25/02/1037732502.db2.gz MZUAZYIEIBJWBE-HXUWFJFHSA-N -1 0 348.402 3.624 20 0 EHADRM COc1cc(CN=c2nc(-c3ccccc3)[n-]s2)c2ccccc2n1 ZINC000463085164 1037758949 /nfs/dbraw/zinc/75/89/49/1037758949.db2.gz PMIZDMOKFGPRSU-UHFFFAOYSA-N -1 0 348.431 3.796 20 0 EHADRM C[C@@H](NC(=O)N(CC(=O)[O-])C1CCCC1)c1cccc2ccccc21 ZINC000573874066 1037792144 /nfs/dbraw/zinc/79/21/44/1037792144.db2.gz OAXISCDTVVWCFD-CQSZACIVSA-N -1 0 340.423 3.940 20 0 EHADRM Cc1cc(C)c(CC(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)c(C)c1 ZINC000669434331 1037807232 /nfs/dbraw/zinc/80/72/32/1037807232.db2.gz OUIYDVQKGFSEBA-QGZVFWFLSA-N -1 0 337.419 3.759 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000669434088 1037814193 /nfs/dbraw/zinc/81/41/93/1037814193.db2.gz INTKJBYTPWZQIN-RRFJBIMHSA-N -1 0 341.432 3.765 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)CCc2c[nH]c3ccccc23)c2ccccc21 ZINC000669434849 1037842651 /nfs/dbraw/zinc/84/26/51/1037842651.db2.gz ZHWMBXRENCVMKB-KRWDZBQOSA-N -1 0 348.402 3.706 20 0 EHADRM Cc1cc2cc(NC(=O)N3CCc4ccccc4[C@H]3C(=O)[O-])ccc2[nH]1 ZINC000573991749 1037966108 /nfs/dbraw/zinc/96/61/08/1037966108.db2.gz TZUINCCIMNBNCS-SFHVURJKSA-N -1 0 349.390 3.692 20 0 EHADRM C[C@H]1CN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CC[C@H]1c1ccccc1 ZINC000180023885 1038013838 /nfs/dbraw/zinc/01/38/38/1038013838.db2.gz VXAKKFYYSPUQHW-XOYOTBSWSA-N -1 0 329.440 3.530 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(-c3ccccc3)cc2)CC[C@@H]1C(=O)[O-] ZINC000327667821 1038020745 /nfs/dbraw/zinc/02/07/45/1038020745.db2.gz JJJDHDIHMYXXED-KSSFIOAISA-N -1 0 338.407 3.928 20 0 EHADRM O=C([O-])CCCCNC(=O)/C=C\c1ccc(Cl)c(C(F)(F)F)c1 ZINC000492184779 1038093498 /nfs/dbraw/zinc/09/34/98/1038093498.db2.gz WDZSZMDCAAOWQO-ALCCZGGFSA-N -1 0 349.736 3.743 20 0 EHADRM C[C@@H](C1CCC1)N(C)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000416189872 1038295147 /nfs/dbraw/zinc/29/51/47/1038295147.db2.gz LNNNPCQAYYBKKA-QMMMGPOBSA-N -1 0 330.197 3.554 20 0 EHADRM C[C@H]1CC[C@H](N(C)C(=O)c2cc(F)cc(Br)c2[O-])C1 ZINC000416225770 1038376809 /nfs/dbraw/zinc/37/68/09/1038376809.db2.gz TVHYNLFOIFQZLA-WPRPVWTQSA-N -1 0 330.197 3.554 20 0 EHADRM Fc1ccc(Cc2n[n-]c(=NCc3ccc(F)c(Cl)c3)o2)cc1 ZINC000538593025 1038405686 /nfs/dbraw/zinc/40/56/86/1038405686.db2.gz PSGXJEHRFIDECR-UHFFFAOYSA-N -1 0 335.741 3.626 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)Cc2ccccc2OC(C)C)c1 ZINC000538646906 1038453158 /nfs/dbraw/zinc/45/31/58/1038453158.db2.gz UNHOPAUSDHXJQX-UHFFFAOYSA-N -1 0 327.380 3.563 20 0 EHADRM O=S(=O)([N-]c1ncccc1-c1ccccc1)c1ccc(F)cc1F ZINC000538849101 1038562455 /nfs/dbraw/zinc/56/24/55/1038562455.db2.gz JTFAELSTTZYTCL-UHFFFAOYSA-N -1 0 346.358 3.828 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000431867275 1038599991 /nfs/dbraw/zinc/59/99/91/1038599991.db2.gz YXXSBLYEIFSTJO-CQSZACIVSA-N -1 0 335.469 3.566 20 0 EHADRM C[C@H](CC(=O)[O-])Nc1nc(-c2ccccc2C(F)(F)F)cs1 ZINC000416425806 1038657758 /nfs/dbraw/zinc/65/77/58/1038657758.db2.gz JSRSMHSLROXFTJ-MRVPVSSYSA-N -1 0 330.331 3.526 20 0 EHADRM CCCCO[C@H]1C[C@H](NC(=O)c2cc(F)c(F)c([O-])c2F)C1(C)C ZINC000183035568 1038662708 /nfs/dbraw/zinc/66/27/08/1038662708.db2.gz OFFHQMXCZWWWFQ-RYUDHWBXSA-N -1 0 345.361 3.523 20 0 EHADRM CCC(CC)[C@@H]1C[C@H](NC(=O)c2ccc3[n-]c(=S)oc3c2)CCO1 ZINC000183225293 1038685744 /nfs/dbraw/zinc/68/57/44/1038685744.db2.gz DONFSSCNWHTSET-HIFRSBDPSA-N -1 0 348.468 3.830 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2C)sc1C ZINC000539113168 1038691599 /nfs/dbraw/zinc/69/15/99/1038691599.db2.gz OYBZRXZBYITQGW-UHFFFAOYSA-N -1 0 347.465 3.660 20 0 EHADRM O=C([O-])[C@H](CNC(=O)C1CCC(C(F)(F)F)CC1)C1CCCCC1 ZINC000910234714 1038778524 /nfs/dbraw/zinc/77/85/24/1038778524.db2.gz VZAZCPCPUJBTDD-JXQTWKCFSA-N -1 0 349.393 3.752 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@@H]3CCC[C@@H](c4ccccc4)C3)(CC1)C2 ZINC000910240615 1038784331 /nfs/dbraw/zinc/78/43/31/1038784331.db2.gz BTKZBXHRXKSPRJ-FBIZOPLVSA-N -1 0 341.451 3.864 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3Cc4cccc(Cl)c4C3)(CC1)CC2 ZINC000910244896 1038784429 /nfs/dbraw/zinc/78/44/29/1038784429.db2.gz UYPNCHZXLAATOQ-UHFFFAOYSA-N -1 0 333.815 3.607 20 0 EHADRM Cc1c(C(=O)Nc2cc(Cl)c([O-])cc2F)cnn1CCC(C)C ZINC000554016633 1038807365 /nfs/dbraw/zinc/80/73/65/1038807365.db2.gz HBEPDOIUQFCBTR-UHFFFAOYSA-N -1 0 339.798 3.988 20 0 EHADRM CC[C@@H](Cc1cn(C)c2ccccc12)NC(=O)C(C)(C)CCC(=O)[O-] ZINC000910288619 1038811894 /nfs/dbraw/zinc/81/18/94/1038811894.db2.gz YQIKHFUVKJZGJS-HNNXBMFYSA-N -1 0 344.455 3.507 20 0 EHADRM Cc1cc2scc(CC(=O)N[C@@](C)(CC(=O)[O-])C3CC3)c2s1 ZINC000910320087 1038824063 /nfs/dbraw/zinc/82/40/63/1038824063.db2.gz WEKBGJZORYPSCS-INIZCTEOSA-N -1 0 337.466 3.573 20 0 EHADRM C[C@@H](c1ccc(C(=O)N[C@](C)(CC(=O)[O-])C2CC2)cc1)C(F)(F)F ZINC000910320390 1038824637 /nfs/dbraw/zinc/82/46/37/1038824637.db2.gz XVEIDNAFZBCWQG-MGPLVRAMSA-N -1 0 343.345 3.726 20 0 EHADRM CCC(CC)n1ccc(CN[C@H](C(=O)[O-])c2cc(C)cc(C)c2)n1 ZINC000905391378 1038876042 /nfs/dbraw/zinc/87/60/42/1038876042.db2.gz OQBWGIBUAUQWEZ-SFHVURJKSA-N -1 0 329.444 3.777 20 0 EHADRM C[C@H](CC(=O)N1CC[C@]2(C(=O)[O-])CCC[C@H]12)c1c[nH]c2ccccc21 ZINC000910392357 1038895949 /nfs/dbraw/zinc/89/59/49/1038895949.db2.gz UESCSAGOBLTWJC-ASUYLVSUSA-N -1 0 340.423 3.517 20 0 EHADRM COc1cccc([C@H]2CCN(C(=O)CC(C)(C)CC(=O)[O-])C2(C)C)c1 ZINC000910411765 1038899366 /nfs/dbraw/zinc/89/93/66/1038899366.db2.gz IODBJJKELFPWJC-MRXNPFEDSA-N -1 0 347.455 3.681 20 0 EHADRM CC(C)c1nnc(NC[C@@H](Cc2cccc3ccccc32)C(=O)[O-])o1 ZINC000910422222 1038905838 /nfs/dbraw/zinc/90/58/38/1038905838.db2.gz MJIXJMSUEXPRCJ-OAHLLOKOSA-N -1 0 339.395 3.702 20 0 EHADRM C[C@H](Nc1ccnc(C(F)(F)F)c1)c1ccc(OCC(=O)[O-])cc1 ZINC000910465902 1038925692 /nfs/dbraw/zinc/92/56/92/1038925692.db2.gz GBJFNKGYINKFRM-JTQLQIEISA-N -1 0 340.301 3.737 20 0 EHADRM C[C@@H](CC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccc(F)cc1 ZINC000910476116 1038933540 /nfs/dbraw/zinc/93/35/40/1038933540.db2.gz PVHPKZCYKARWPJ-UYHISHBKSA-N -1 0 341.382 3.749 20 0 EHADRM CC(C)(CC(=O)N1CCc2cc(C(=O)[O-])ccc2C1)CC(F)(F)F ZINC000910501233 1038948913 /nfs/dbraw/zinc/94/89/13/1038948913.db2.gz FVARYITXVKSNEH-UHFFFAOYSA-N -1 0 343.345 3.638 20 0 EHADRM CCC[C@@H](C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])c1ccccn1 ZINC000910504196 1038951734 /nfs/dbraw/zinc/95/17/34/1038951734.db2.gz OGAJYKBPHTUAGB-OAHLLOKOSA-N -1 0 334.460 3.561 20 0 EHADRM CC(C)C1CCN(C(=O)N=c2[n-]nc(-c3ccccc3)s2)CC1 ZINC000479972781 1038967300 /nfs/dbraw/zinc/96/73/00/1038967300.db2.gz ZPSGCXSVJBHHKO-UHFFFAOYSA-N -1 0 330.457 3.527 20 0 EHADRM CCCCCC[C@@H](CC)C(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC000910618497 1038990925 /nfs/dbraw/zinc/99/09/25/1038990925.db2.gz PPIWNZBSHMONBE-XZZQLLPFSA-N -1 0 339.476 3.512 20 0 EHADRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cncc(F)c2)cc1Cl ZINC000500568200 1038998361 /nfs/dbraw/zinc/99/83/61/1038998361.db2.gz NYTREYPZGRBJLW-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CC(C)Cn1ncc(NC(=O)CC2CCC(C(=O)[O-])CC2)c1C(C)C ZINC000910649198 1039002114 /nfs/dbraw/zinc/00/21/14/1039002114.db2.gz RHBFPIWQSXOWQP-UHFFFAOYSA-N -1 0 349.475 3.882 20 0 EHADRM CC(C)CCn1ncc(NC(=O)C(C)(C)CCC(=O)[O-])c1C(C)C ZINC000910655915 1039005480 /nfs/dbraw/zinc/00/54/80/1039005480.db2.gz HOLHKWOOWBCGEF-UHFFFAOYSA-N -1 0 337.464 3.882 20 0 EHADRM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000479996389 1039010175 /nfs/dbraw/zinc/01/01/75/1039010175.db2.gz SBNZBTTVISZNEL-GOEBONIOSA-N -1 0 327.428 3.619 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)Nc1cc(C2CC2)ccn1)C(=O)[O-] ZINC000910666515 1039010521 /nfs/dbraw/zinc/01/05/21/1039010521.db2.gz VLVPMEKSCBYRQB-LLVKDONJSA-N -1 0 342.420 3.777 20 0 EHADRM Cc1ccc(O[C@@H](C)C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)cc1 ZINC000910699810 1039024634 /nfs/dbraw/zinc/02/46/34/1039024634.db2.gz FUWMMXGUKJRFKP-NSHDSACASA-N -1 0 348.424 3.679 20 0 EHADRM CCC(C)(C)N(C)C(=O)Nc1cc(Br)cc(C(=O)[O-])c1 ZINC000147510668 1039029641 /nfs/dbraw/zinc/02/96/41/1039029641.db2.gz VXTWKJMPSGQYBX-UHFFFAOYSA-N -1 0 343.221 3.800 20 0 EHADRM C[C@H](CC(=O)NC1CC(CC(=O)[O-])C1)c1ccccc1C(F)(F)F ZINC000910810041 1039089755 /nfs/dbraw/zinc/08/97/55/1039089755.db2.gz OIAVCLDNBQSJPO-VOMCLLRMSA-N -1 0 343.345 3.569 20 0 EHADRM O=C([O-])c1cc2cccnc2c(N[C@H]2CCOC3(CCCC3)C2)c1 ZINC000905758594 1039090130 /nfs/dbraw/zinc/09/01/30/1039090130.db2.gz FZVSOUUGHLBDAP-HNNXBMFYSA-N -1 0 326.396 3.837 20 0 EHADRM CCCS(=O)(=O)[N-][C@H](c1cccc2ccccc21)C(F)(F)F ZINC000512431837 1039103500 /nfs/dbraw/zinc/10/35/00/1039103500.db2.gz KKKMMQLMDNVXKX-CQSZACIVSA-N -1 0 331.359 3.773 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N(CCC(=O)[O-])C1CC1 ZINC000237314622 1039144682 /nfs/dbraw/zinc/14/46/82/1039144682.db2.gz RXRKXCLXFWVGKO-JTQLQIEISA-N -1 0 344.238 3.638 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)c1cccc(OC)c1 ZINC000910952734 1039155036 /nfs/dbraw/zinc/15/50/36/1039155036.db2.gz DQINKWIVGMMSAD-LBPRGKRZSA-N -1 0 327.380 3.698 20 0 EHADRM O=C([O-])c1ccc2[nH]cc(C3CCN(C(=O)/C=C\C4CC4)CC3)c2c1 ZINC000910956853 1039156876 /nfs/dbraw/zinc/15/68/76/1039156876.db2.gz HCXUBMYKIQCLNT-UTCJRWHESA-N -1 0 338.407 3.538 20 0 EHADRM O=C([O-])c1ccc2[nH]cc(C3CCN(C(=O)C4CC=CC4)CC3)c2c1 ZINC000910957653 1039158009 /nfs/dbraw/zinc/15/80/09/1039158009.db2.gz URVIGIZOXHBEDL-UHFFFAOYSA-N -1 0 338.407 3.538 20 0 EHADRM CCCCn1cc(C(=O)Nc2ccc(C(=O)[O-])cc2CC)c(C)n1 ZINC000910959632 1039160592 /nfs/dbraw/zinc/16/05/92/1039160592.db2.gz SXNKXRJGVJDKDY-UHFFFAOYSA-N -1 0 329.400 3.505 20 0 EHADRM CCN(C(=O)C[C@@H](C)c1c(C)noc1C)c1cccc(C(=O)[O-])c1 ZINC000910966024 1039162626 /nfs/dbraw/zinc/16/26/26/1039162626.db2.gz BJPPZXUNVLGPSN-LLVKDONJSA-N -1 0 330.384 3.536 20 0 EHADRM CCN(C(=O)c1oc(CC(C)C)nc1C)c1cccc(C(=O)[O-])c1 ZINC000910968162 1039171245 /nfs/dbraw/zinc/17/12/45/1039171245.db2.gz NTPZAVDJNQACSV-UHFFFAOYSA-N -1 0 330.384 3.546 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N[C@@H]2CCSC3(CCC3)C2)c1 ZINC000911014546 1039199068 /nfs/dbraw/zinc/19/90/68/1039199068.db2.gz SUDMSQYECFIXDH-LLVKDONJSA-N -1 0 339.844 3.586 20 0 EHADRM Cn1cc([C@H](N=c2nc(-c3ccccc3)[n-]s2)C(C)(C)C)cn1 ZINC000500698530 1039215896 /nfs/dbraw/zinc/21/58/96/1039215896.db2.gz LNHOXERJTFGDFW-AWEZNQCLSA-N -1 0 327.457 3.560 20 0 EHADRM CCC[C@@H](C(=O)Nc1cc(C(=O)[O-])ccc1NCC)c1ccccn1 ZINC000911084319 1039218121 /nfs/dbraw/zinc/21/81/21/1039218121.db2.gz KJQAWNIWDFMYMT-CQSZACIVSA-N -1 0 341.411 3.734 20 0 EHADRM C[C@]1(Cc2cc(Cl)cs2)CCCN1C(=O)CCCCC(=O)[O-] ZINC000911063087 1039220273 /nfs/dbraw/zinc/22/02/73/1039220273.db2.gz UJIPCWGEWPSDCI-MRXNPFEDSA-N -1 0 343.876 3.970 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-][C@H](c1cccc(C)c1)C(F)(F)F ZINC000512458838 1039226206 /nfs/dbraw/zinc/22/62/06/1039226206.db2.gz ABKRAKOKXYIUAZ-GFCCVEGCSA-N -1 0 349.399 3.947 20 0 EHADRM CCNc1ccc(C(=O)[O-])cc1NC(=O)C[C@H]1CCO[C@H](C(C)C)C1 ZINC000911085352 1039240614 /nfs/dbraw/zinc/24/06/14/1039240614.db2.gz STZUHPJUISPCJI-GUYCJALGSA-N -1 0 348.443 3.596 20 0 EHADRM CC(C)(CC(=O)Nc1cccc(COC2CCCCC2)c1)C(=O)[O-] ZINC000236802315 1039257544 /nfs/dbraw/zinc/25/75/44/1039257544.db2.gz ZRRVHUUSUPZXII-UHFFFAOYSA-N -1 0 333.428 3.975 20 0 EHADRM C[C@H]1c2ccsc2CCN1C(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000324202445 1039271356 /nfs/dbraw/zinc/27/13/56/1039271356.db2.gz SXKMEUMNKLSKMP-ORAYPTAESA-N -1 0 343.448 3.626 20 0 EHADRM O=C([O-])CCN(Cc1cccnc1)C(=O)CCCC1CCCCC1 ZINC000911278667 1039306701 /nfs/dbraw/zinc/30/67/01/1039306701.db2.gz QDZNEHVGJUFNDR-UHFFFAOYSA-N -1 0 332.444 3.636 20 0 EHADRM C/C(=C/C1CCC(C)CC1)C(=O)N(CCC(=O)[O-])Cc1cccnc1 ZINC000911273669 1039307307 /nfs/dbraw/zinc/30/73/07/1039307307.db2.gz OSHKKZDBRCLNPX-VBKFSLOCSA-N -1 0 344.455 3.658 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)CC(C)(C)CC(=O)[O-])c2)[nH]c1C ZINC000911262527 1039311824 /nfs/dbraw/zinc/31/18/24/1039311824.db2.gz CGVOWLDAEKHPFF-UHFFFAOYSA-N -1 0 329.400 3.523 20 0 EHADRM CC(C)(C)OC1CC(CC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)C1 ZINC000911387029 1039339858 /nfs/dbraw/zinc/33/98/58/1039339858.db2.gz NCPHOFFKCCOAMW-UHFFFAOYSA-N -1 0 344.411 3.788 20 0 EHADRM Cc1nc(-c2ccccc2NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cs1 ZINC000911374113 1039344299 /nfs/dbraw/zinc/34/42/99/1039344299.db2.gz PLUDXALAUDXWPR-NEPJUHHUSA-N -1 0 330.409 3.558 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@H](C(=O)[O-])C1 ZINC000326169609 1039353157 /nfs/dbraw/zinc/35/31/57/1039353157.db2.gz GSWYJJXQDFSQRB-UFBFGSQYSA-N -1 0 348.296 3.562 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F ZINC000237391446 1039356687 /nfs/dbraw/zinc/35/66/87/1039356687.db2.gz UPJYZGFMEHOLGA-GHMZBOCLSA-N -1 0 331.334 3.569 20 0 EHADRM C[C@@](CC(=O)N1CCC[C@H]1c1cccs1)(C(=O)[O-])c1ccccc1 ZINC000324365032 1039402021 /nfs/dbraw/zinc/40/20/21/1039402021.db2.gz JCXKMOAGPZJQGE-KXBFYZLASA-N -1 0 343.448 3.844 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCc2c1cccc2C(F)(F)F ZINC000911543817 1039406717 /nfs/dbraw/zinc/40/67/17/1039406717.db2.gz WHWFXVGHDQPWCG-UHFFFAOYSA-N -1 0 339.269 3.508 20 0 EHADRM COc1cc(C)c(-c2ccc(NC(=O)NCCC(=O)[O-])cc2)cc1C ZINC000906245712 1039407215 /nfs/dbraw/zinc/40/72/15/1039407215.db2.gz XRRDVXFRHAWOEF-UHFFFAOYSA-N -1 0 342.395 3.575 20 0 EHADRM Cc1coc(-c2cc(NC(=O)C(C)(C)CCC(=O)[O-])ccc2C)n1 ZINC000911575443 1039420921 /nfs/dbraw/zinc/42/09/21/1039420921.db2.gz UJZPFJFQMHJUJT-UHFFFAOYSA-N -1 0 330.384 3.788 20 0 EHADRM C[C@@H](S[C@H](C)C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[O-] ZINC000728922534 1039426010 /nfs/dbraw/zinc/42/60/10/1039426010.db2.gz JSVUFNCJKHRLCI-HTQZYQBOSA-N -1 0 335.397 3.535 20 0 EHADRM Cc1ccnc(Oc2cc(NC(=O)CC(C)(C)C(=O)[O-])ccc2C)c1 ZINC000237780221 1039427688 /nfs/dbraw/zinc/42/76/88/1039427688.db2.gz LZHKDDOHZQDMJL-UHFFFAOYSA-N -1 0 342.395 3.930 20 0 EHADRM CCN(C)C(=O)N(CC)[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000554533430 1039437487 /nfs/dbraw/zinc/43/74/87/1039437487.db2.gz VWAMFUYQCUKPLM-GFCCVEGCSA-N -1 0 333.215 3.513 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cccc(C2CCCC2)c1)c1ccncc1 ZINC000911661340 1039444509 /nfs/dbraw/zinc/44/45/09/1039444509.db2.gz KZZRZWTWFQTNTF-SFHVURJKSA-N -1 0 338.407 3.685 20 0 EHADRM Cc1cc(F)c(NC(=O)[C@H]2CCOC3(CCCC3)C2)cc1C(=O)[O-] ZINC000911688755 1039462816 /nfs/dbraw/zinc/46/28/16/1039462816.db2.gz MMFPTNLQXRMZRU-LBPRGKRZSA-N -1 0 335.375 3.510 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)C[C@H]1CCOc2ccccc21)C(=O)[O-] ZINC000236690323 1039463639 /nfs/dbraw/zinc/46/36/39/1039463639.db2.gz QWGLNXIIYSUDMI-FOIQADDNSA-N -1 0 347.455 3.873 20 0 EHADRM Cc1[nH][nH]c(=NC(=O)c2cc(F)c([O-])c(Cl)c2)c1-c1ccccc1 ZINC000554543936 1039464454 /nfs/dbraw/zinc/46/44/54/1039464454.db2.gz STAOQEOSHFCWGA-UHFFFAOYSA-N -1 0 345.761 3.557 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)cc1 ZINC000238048483 1039478039 /nfs/dbraw/zinc/47/80/39/1039478039.db2.gz ZRNDQPUJWGKJAA-HOTGVXAUSA-N -1 0 345.345 3.724 20 0 EHADRM O=C(NC[C@H]1CCCC(F)(F)C1)c1cccc(Br)c1[O-] ZINC000554580344 1039488373 /nfs/dbraw/zinc/48/83/73/1039488373.db2.gz YDVHXMGZFQTAGK-VIFPVBQESA-N -1 0 348.187 3.710 20 0 EHADRM CC(C)Oc1c(NC(=O)C[C@H]2CCC(C)(C)CO2)cccc1C(=O)[O-] ZINC000911732688 1039490280 /nfs/dbraw/zinc/49/02/80/1039490280.db2.gz HIPSCKOCHJLUFY-CYBMUJFWSA-N -1 0 349.427 3.706 20 0 EHADRM CCC[C@@](C)(NC(=O)N[C@@H](C)c1ccc(SCC)cc1)C(=O)[O-] ZINC000554603156 1039512710 /nfs/dbraw/zinc/51/27/10/1039512710.db2.gz JNLZFJKYAALWFW-YVEFUNNKSA-N -1 0 338.473 3.802 20 0 EHADRM CCCCCN([C@@H](C)CCC)S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000552823786 1039551817 /nfs/dbraw/zinc/55/18/17/1039551817.db2.gz ISSDINOQOOLYTJ-LBPRGKRZSA-N -1 0 347.502 3.816 20 0 EHADRM CCC[C@@H](C)CS(=O)(=O)Nc1cc(C(=O)[O-])c(Cl)cc1C ZINC000584704696 1039573416 /nfs/dbraw/zinc/57/34/16/1039573416.db2.gz WTVFCSRUIYTLTF-SECBINFHSA-N -1 0 333.837 3.525 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2cnc([C@H](C)CC)nc2)cc1 ZINC000478711776 1039649689 /nfs/dbraw/zinc/64/96/89/1039649689.db2.gz VMLQWPYKPXTONQ-CYBMUJFWSA-N -1 0 333.457 3.743 20 0 EHADRM CC(C)C[C@H]1C[C@@H](N=c2[n-]nc(Cc3ccccc3)s2)CCO1 ZINC000554734705 1039651190 /nfs/dbraw/zinc/65/11/90/1039651190.db2.gz LTQAGEPMRGMYKO-HOTGVXAUSA-N -1 0 331.485 3.556 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c(C)cc1C ZINC000478720795 1039666226 /nfs/dbraw/zinc/66/62/26/1039666226.db2.gz KLYGBLOCZFVQAR-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000912103890 1039688167 /nfs/dbraw/zinc/68/81/67/1039688167.db2.gz XPUVWVRPBKVBIS-AEFFLSMTSA-N -1 0 345.826 3.774 20 0 EHADRM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)N=c2cc(C)c(C)n[n-]2)o1 ZINC000480568733 1039709807 /nfs/dbraw/zinc/70/98/07/1039709807.db2.gz RITCYHLOLLOMFB-WBMJQRKESA-N -1 0 342.443 3.676 20 0 EHADRM Fc1ccc([C@@H]2CC[C@@H](N=c3[n-]nc(C(F)(F)F)s3)C2)cc1 ZINC000480582325 1039729529 /nfs/dbraw/zinc/72/95/29/1039729529.db2.gz PYGITRHJQRNAQS-MWLCHTKSSA-N -1 0 331.338 3.866 20 0 EHADRM Cc1cccc(CO[N-]C(=O)[C@H](C)Sc2ccccc2Cl)n1 ZINC000898936393 1039743451 /nfs/dbraw/zinc/74/34/51/1039743451.db2.gz RTPSXUULCJLPGQ-LBPRGKRZSA-N -1 0 336.844 3.772 20 0 EHADRM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1ccccc1C ZINC000112333697 1039775228 /nfs/dbraw/zinc/77/52/28/1039775228.db2.gz WTYQYHONZUCWID-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000480664109 1039877983 /nfs/dbraw/zinc/87/79/83/1039877983.db2.gz OGNWTJHSKLSXOI-UHFFFAOYSA-N -1 0 329.812 3.841 20 0 EHADRM CCCc1nc(C)c([N-]S(=O)(=O)c2ccc(F)cc2Cl)s1 ZINC000486120970 1039903618 /nfs/dbraw/zinc/90/36/18/1039903618.db2.gz MVSNEDXWOGUJPL-UHFFFAOYSA-N -1 0 348.852 3.997 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccnn1[C@@H](C)CC(C)C ZINC000479062947 1039927961 /nfs/dbraw/zinc/92/79/61/1039927961.db2.gz OQPLDZGBXKZQLS-ZDUSSCGKSA-N -1 0 339.436 3.739 20 0 EHADRM C[C@H](C(=O)Nc1cc(Cl)cc(Br)c1[O-])[C@@H]1CCCO1 ZINC000907145659 1039945536 /nfs/dbraw/zinc/94/55/36/1039945536.db2.gz GHIDSJVBJVXCGF-CPCISQLKSA-N -1 0 348.624 3.562 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ncccc1-c1ccccc1 ZINC000479125287 1039975517 /nfs/dbraw/zinc/97/55/17/1039975517.db2.gz HPZAGXSFERMQRI-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM CCCc1csc(CN[C@H](CCCc2ccccc2)C(=O)[O-])n1 ZINC000417566616 1040015713 /nfs/dbraw/zinc/01/57/13/1040015713.db2.gz IQYQFFOOESLYCF-MRXNPFEDSA-N -1 0 332.469 3.661 20 0 EHADRM COc1ccc([C@@H](CCC(=O)[O-])NCc2csc(C3CC3)n2)cc1 ZINC000417580428 1040028121 /nfs/dbraw/zinc/02/81/21/1040028121.db2.gz RAXLYPWRAMPQTN-MRXNPFEDSA-N -1 0 346.452 3.725 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])[NH2+]Cc2sccc2Cl)c1 ZINC000417583719 1040034021 /nfs/dbraw/zinc/03/40/21/1040034021.db2.gz MJUMXNKHJJADMJ-CYBMUJFWSA-N -1 0 325.817 3.716 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2n[nH]c(C(C)C)c2C)sc1Cl ZINC000647278854 1040039472 /nfs/dbraw/zinc/03/94/72/1040039472.db2.gz ONRHTDFITVICPI-UHFFFAOYSA-N -1 0 333.866 3.666 20 0 EHADRM C[C@@H](NC(=O)C1(C(=O)[O-])CCCC1)c1cccc(Cl)c1Cl ZINC000584840616 1040064812 /nfs/dbraw/zinc/06/48/12/1040064812.db2.gz BZVJTSYGHNHWHT-SECBINFHSA-N -1 0 330.211 3.816 20 0 EHADRM CC[C@@H](NC(=O)c1cnc2cc(F)c(F)cc2c1O)C1CCCC1 ZINC000899156729 1040095160 /nfs/dbraw/zinc/09/51/60/1040095160.db2.gz WKSSUWMCTATLSP-OAHLLOKOSA-N -1 0 334.366 3.505 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cc(C3CC3)oc2C2CC2)CCCCC1 ZINC000907579398 1040101100 /nfs/dbraw/zinc/10/11/00/1040101100.db2.gz QGSAKLCMQUPEGW-UHFFFAOYSA-N -1 0 331.412 3.942 20 0 EHADRM C[C@]1(NC(=O)c2cc(C3CC3)oc2C2CC2)CCCC[C@H]1C(=O)[O-] ZINC000907633394 1040110532 /nfs/dbraw/zinc/11/05/32/1040110532.db2.gz CAWLELVEHHNWHR-LIRRHRJNSA-N -1 0 331.412 3.798 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2cc(C3CC3)oc2C2CC2)c2ccccc21 ZINC000907641021 1040112662 /nfs/dbraw/zinc/11/26/62/1040112662.db2.gz ZMMVPXLZAPYTEW-OAHLLOKOSA-N -1 0 337.375 3.863 20 0 EHADRM COc1cc(NC(=O)c2cc(C(C)(C)C)oc2C)ccc1C(=O)[O-] ZINC000907661817 1040121632 /nfs/dbraw/zinc/12/16/32/1040121632.db2.gz RKTSUMDVEPSUSE-UHFFFAOYSA-N -1 0 331.368 3.845 20 0 EHADRM CC(C)(C)Cc1ncc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC000907646204 1040126507 /nfs/dbraw/zinc/12/65/07/1040126507.db2.gz OOCJBUHDBSSCMD-GFCCVEGCSA-N -1 0 344.436 3.560 20 0 EHADRM Cc1cc(F)c(S(=O)(=O)C=C([O-])c2ccc(Cl)cc2)cc1F ZINC000555088143 1040149947 /nfs/dbraw/zinc/14/99/47/1040149947.db2.gz KNFAOAIXZXMJCH-UHFFFAOYSA-N -1 0 344.766 3.583 20 0 EHADRM CC(C)N(C)c1ccccc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000500824109 1040202233 /nfs/dbraw/zinc/20/22/33/1040202233.db2.gz WAYXEAGJJHFYRU-UHFFFAOYSA-N -1 0 340.395 3.610 20 0 EHADRM CC(C)(CNC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)C1CCCC1 ZINC000512585469 1040203585 /nfs/dbraw/zinc/20/35/85/1040203585.db2.gz CTYMPPYTDPFNMH-HXUWFJFHSA-N -1 0 331.456 3.752 20 0 EHADRM Cc1[nH]c2ccc(CN=c3[n-]nc(C4CCOCC4)s3)cc2c1C ZINC000555149562 1040216934 /nfs/dbraw/zinc/21/69/34/1040216934.db2.gz NRYFOBNGKNZYSE-UHFFFAOYSA-N -1 0 342.468 3.564 20 0 EHADRM Cc1c(C(=O)N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@H]23)sc2cccc(F)c12 ZINC000907931487 1040223686 /nfs/dbraw/zinc/22/36/86/1040223686.db2.gz IAVUGKCBIFRCHC-MRBYEJRBSA-N -1 0 347.411 3.578 20 0 EHADRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)c3cc4c(ccc5ccccc45)[nH]3)[C@@H]2C1 ZINC000907940775 1040236827 /nfs/dbraw/zinc/23/68/27/1040236827.db2.gz MKCOJTDZXUDHIA-OSDKZWGASA-N -1 0 348.402 3.550 20 0 EHADRM CC[C@H]1CCC[C@@]1(C)C(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)ccc1C ZINC000907958722 1040248288 /nfs/dbraw/zinc/24/82/88/1040248288.db2.gz UYCFCSQMARTTJC-SCLBCKFNSA-N -1 0 328.416 3.641 20 0 EHADRM C[C@@H](CCc1ccc(F)cc1)C(=O)N(C)c1cccc(CC(=O)[O-])c1 ZINC000908080667 1040289976 /nfs/dbraw/zinc/28/99/76/1040289976.db2.gz SAPNKEVUTGGWIV-AWEZNQCLSA-N -1 0 343.398 3.685 20 0 EHADRM O=C(Nc1cc(O)c(F)cc1F)c1cccc(C(F)(F)F)c1[O-] ZINC001625897291 1040290152 /nfs/dbraw/zinc/29/01/52/1040290152.db2.gz XSUXJBGJBMZSLL-UHFFFAOYSA-N -1 0 333.212 3.647 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(C3(C)CCCC3)on2)c1 ZINC000432966513 1040290750 /nfs/dbraw/zinc/29/07/50/1040290750.db2.gz LJTYORGYFGHVLV-UHFFFAOYSA-N -1 0 338.404 3.755 20 0 EHADRM Cc1cc(CCCC(=O)N(C)c2cccc(CC(=O)[O-])c2)c(C)s1 ZINC000908079830 1040291066 /nfs/dbraw/zinc/29/10/66/1040291066.db2.gz IDPQCJOBMVJOGW-UHFFFAOYSA-N -1 0 345.464 3.978 20 0 EHADRM COc1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)c2cccnc12 ZINC000486630996 1040292195 /nfs/dbraw/zinc/29/21/95/1040292195.db2.gz BQLWWINSTWBPRE-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(C3(C)CCCC3)on2)c(C)s1 ZINC000432964408 1040294959 /nfs/dbraw/zinc/29/49/59/1040294959.db2.gz GVPBKJJQLZMGQF-UHFFFAOYSA-N -1 0 340.470 3.985 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cccc(OCc2cccs2)c1 ZINC000236939834 1040301739 /nfs/dbraw/zinc/30/17/39/1040301739.db2.gz XCGGOQCAESGWGM-ZDUSSCGKSA-N -1 0 347.436 3.652 20 0 EHADRM CSc1cccc(C)c1NC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000899312131 1040311859 /nfs/dbraw/zinc/31/18/59/1040311859.db2.gz TXFCZLQPSUSOSD-CYBMUJFWSA-N -1 0 336.457 3.968 20 0 EHADRM CC[C@@H](CC(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1)C(C)(C)C ZINC000908176733 1040319620 /nfs/dbraw/zinc/31/96/20/1040319620.db2.gz ZQYHWVXTCCXTCL-HPGRBHQUSA-N -1 0 341.517 3.694 20 0 EHADRM Cc1cc(Cl)cc([N-]S(=O)(=O)c2c(C)cccc2F)c1O ZINC000479510773 1040328147 /nfs/dbraw/zinc/32/81/47/1040328147.db2.gz GZVZBKGAIKLXNU-UHFFFAOYSA-N -1 0 329.780 3.602 20 0 EHADRM Cc1ccc([C@@H](C)[C@H](O)C(=O)Nc2cc(Cl)c([O-])cc2F)cc1 ZINC000553688140 1040336802 /nfs/dbraw/zinc/33/68/02/1040336802.db2.gz CDLWDLHFSPFQFG-HWPZZCPQSA-N -1 0 337.778 3.596 20 0 EHADRM CC(C)c1c(Cl)ncnc1-n1[n-]c(C2CC2)c(C(F)(F)F)c1=O ZINC000899352417 1040357605 /nfs/dbraw/zinc/35/76/05/1040357605.db2.gz IPUKNGHYRZQZTK-VIFPVBQESA-N -1 0 346.740 3.545 20 0 EHADRM O=c1cc(C2CCOCC2)[n-]n1Cc1cc(Cl)ccc1Cl ZINC000899354467 1040363326 /nfs/dbraw/zinc/36/33/26/1040363326.db2.gz GKWQJDHQBUOFFZ-UHFFFAOYSA-N -1 0 327.211 3.508 20 0 EHADRM CC(C)[C@H](SCc1ccccc1)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000364185320 1040372647 /nfs/dbraw/zinc/37/26/47/1040372647.db2.gz UUVAGYUTAXZBIQ-INIZCTEOSA-N -1 0 349.496 3.658 20 0 EHADRM CCC(CC)(NC(=O)c1ccc(OCc2ccccc2)cc1)C(=O)[O-] ZINC000310915064 1040383444 /nfs/dbraw/zinc/38/34/44/1040383444.db2.gz FYTZTRZTSWHSPQ-UHFFFAOYSA-N -1 0 341.407 3.639 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)CCC1 ZINC000908337462 1040400331 /nfs/dbraw/zinc/40/03/31/1040400331.db2.gz BMXBGIGZMDIMNX-GUYCJALGSA-N -1 0 343.414 3.743 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)c2ccccc2Cc2ccccc2)C1 ZINC000908366253 1040415271 /nfs/dbraw/zinc/41/52/71/1040415271.db2.gz YJCKSJUCEXAZGR-AEFFLSMTSA-N -1 0 337.419 3.651 20 0 EHADRM C[C@@H](C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1)c1ccc2ccccc2c1 ZINC000908381923 1040422904 /nfs/dbraw/zinc/42/29/04/1040422904.db2.gz CHEBHFDFHGROCA-QWQRMKEZSA-N -1 0 325.408 3.703 20 0 EHADRM C[C@H](C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1)c1ccc2ccccc2c1 ZINC000908381924 1040425252 /nfs/dbraw/zinc/42/52/52/1040425252.db2.gz CHEBHFDFHGROCA-SUNYJGFJSA-N -1 0 325.408 3.703 20 0 EHADRM O=C(CCc1ccc2ccccc2c1)N=c1cc(C(F)(F)F)[n-][nH]1 ZINC000479635125 1040469067 /nfs/dbraw/zinc/46/90/67/1040469067.db2.gz SBYOITFARPKVOP-UHFFFAOYSA-N -1 0 333.313 3.575 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)Nc2nc(CC(=O)[O-])cs2)cc1 ZINC000908583747 1040511347 /nfs/dbraw/zinc/51/13/47/1040511347.db2.gz XIQYRFIOCPKGOY-UHFFFAOYSA-N -1 0 348.424 3.590 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cccc(COC(C)(C)C)c2)[C@H](C(=O)[O-])C1 ZINC000908635983 1040541176 /nfs/dbraw/zinc/54/11/76/1040541176.db2.gz ONJVYBJNGOPGBC-CJNGLKHVSA-N -1 0 348.443 3.719 20 0 EHADRM CCC[C@]1(C(=O)[O-])CCCN1C(=O)Nc1cccc(C(=O)CC)c1 ZINC000908620416 1040549148 /nfs/dbraw/zinc/54/91/48/1040549148.db2.gz RLFWVAXXCHZHJF-GOSISDBHSA-N -1 0 332.400 3.531 20 0 EHADRM CC(C)C[C@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C1 ZINC000500120568 1040557578 /nfs/dbraw/zinc/55/75/78/1040557578.db2.gz HUTRELGUIGLVCA-CQSZACIVSA-N -1 0 345.418 3.615 20 0 EHADRM COc1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1Cl ZINC000908696034 1040582071 /nfs/dbraw/zinc/58/20/71/1040582071.db2.gz IAFXJCJDLFXVKJ-UHFFFAOYSA-N -1 0 337.803 3.712 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3CCC[C@@H](c4ccccc4)CC3)(CC1)C2 ZINC000908775795 1040633854 /nfs/dbraw/zinc/63/38/54/1040633854.db2.gz KHGGMCCOCHGIRF-MDMXATFFSA-N -1 0 341.451 3.818 20 0 EHADRM O=C([O-])c1ccc2oc(/C=C/c3cccc(-n4cccn4)c3)nc2c1 ZINC000555470531 1040646451 /nfs/dbraw/zinc/64/64/51/1040646451.db2.gz YNEVGEMYOSQJAY-VMPITWQZSA-N -1 0 331.331 3.882 20 0 EHADRM Cc1c(NC(=O)C[C@@H](c2ccc(O)cc2)C2CC2)cccc1C(=O)[O-] ZINC000908843659 1040676184 /nfs/dbraw/zinc/67/61/84/1040676184.db2.gz OKSVLSXQWOPBAI-QGZVFWFLSA-N -1 0 339.391 3.921 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)CC(C)(C)CC(F)F)C(=O)[O-] ZINC000908837962 1040677721 /nfs/dbraw/zinc/67/77/21/1040677721.db2.gz BSVNHQMDOYQYIA-CYBMUJFWSA-N -1 0 341.398 3.807 20 0 EHADRM Cc1nc(-c2ccccc2C)sc1C(=O)N(CCC(=O)[O-])C1CC1 ZINC000908870438 1040686259 /nfs/dbraw/zinc/68/62/59/1040686259.db2.gz JIVHTGFAMCTCLB-UHFFFAOYSA-N -1 0 344.436 3.506 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cc(C)c(Cl)s2)cc1C ZINC000473473993 1040696022 /nfs/dbraw/zinc/69/60/22/1040696022.db2.gz VLXQKRRSYZWXNQ-SECBINFHSA-N -1 0 347.893 3.987 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2C)c2cccnc12 ZINC000323567135 1040700655 /nfs/dbraw/zinc/70/06/55/1040700655.db2.gz WWBNDBRADFRJAJ-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM CCc1cccc(C)c1N=c1[n-]nc(SCc2cc[nH]n2)s1 ZINC000487130200 1040722262 /nfs/dbraw/zinc/72/22/62/1040722262.db2.gz SGYMGANQAYOFPE-UHFFFAOYSA-N -1 0 331.470 3.590 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)nn1[C@H](C)C1CC1 ZINC000909097409 1040799892 /nfs/dbraw/zinc/79/98/92/1040799892.db2.gz RZJYSXANXSHTOB-OMPYUXFZSA-N -1 0 339.395 3.513 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)c2ccn(C3CCCCC3)n2)cc1 ZINC000909101055 1040802678 /nfs/dbraw/zinc/80/26/78/1040802678.db2.gz QMXICHSXIDZEPN-FLIBITNWSA-N -1 0 339.395 3.738 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1ccccc1-c1ccncc1 ZINC000909144996 1040841545 /nfs/dbraw/zinc/84/15/45/1040841545.db2.gz CIGCMBFCPLPIHT-UHFFFAOYSA-N -1 0 326.396 3.514 20 0 EHADRM C[C@H]1CCCCCN1C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000668771416 1040863427 /nfs/dbraw/zinc/86/34/27/1040863427.db2.gz NEBRGHSMCIKYGK-LBPRGKRZSA-N -1 0 333.819 3.636 20 0 EHADRM CCSCc1ccc(C(=O)N=c2nc(C3(C)CC3)[n-]s2)cc1 ZINC000600228379 1040881235 /nfs/dbraw/zinc/88/12/35/1040881235.db2.gz WGLRZVNKCSOROH-UHFFFAOYSA-N -1 0 333.482 3.517 20 0 EHADRM CC1(C)Cc2cc(-c3cccc4c3NC(=O)[C@@H]4CC(=O)[O-])ccc2O1 ZINC000899639611 1040906090 /nfs/dbraw/zinc/90/60/90/1040906090.db2.gz SJWFCXQBHAZXKX-OAHLLOKOSA-N -1 0 337.375 3.578 20 0 EHADRM CC(C)Oc1ccc(-c2cccc3c2NC(=O)[C@H]3CC(=O)[O-])cc1 ZINC000899639909 1040907349 /nfs/dbraw/zinc/90/73/49/1040907349.db2.gz VTGJWEIWAOIJDT-INIZCTEOSA-N -1 0 325.364 3.651 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)cc1 ZINC000192872326 1040927625 /nfs/dbraw/zinc/92/76/25/1040927625.db2.gz WNAMGIWKGMSBLA-VUSLAIKZSA-N -1 0 333.387 3.627 20 0 EHADRM Cc1ccccc1CC(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000042258279 1040939427 /nfs/dbraw/zinc/93/94/27/1040939427.db2.gz NVCXXHMNOHSRHJ-UHFFFAOYSA-N -1 0 329.830 3.598 20 0 EHADRM CN(C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])[C@H]1CCC(C)(C)C1 ZINC000614289310 1040940701 /nfs/dbraw/zinc/94/07/01/1040940701.db2.gz XTUQFYDXPGNPFC-AWEZNQCLSA-N -1 0 347.846 3.882 20 0 EHADRM C[C@H](NC(=O)C12CCC(C(=O)[O-])(CC1)CC2)c1c(F)cccc1F ZINC000909721190 1040966703 /nfs/dbraw/zinc/96/67/03/1040966703.db2.gz GDLHONRWEABFPC-NVWNAPEYSA-N -1 0 337.366 3.567 20 0 EHADRM CCC[C@@H]1CCCCN1C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC000909727893 1040968353 /nfs/dbraw/zinc/96/83/53/1040968353.db2.gz KKJLJZFWZUKJGM-CYBMUJFWSA-N -1 0 328.412 3.590 20 0 EHADRM CCc1ncc(S(=O)(=O)[N-]c2c(C)c(F)ccc2Cl)s1 ZINC000433175717 1040985964 /nfs/dbraw/zinc/98/59/64/1040985964.db2.gz QIIUFLWOOIKGRD-UHFFFAOYSA-N -1 0 334.825 3.607 20 0 EHADRM CCC[C@@H](C)N(C)C(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1 ZINC000481510668 1041004146 /nfs/dbraw/zinc/00/41/46/1041004146.db2.gz VBIGCWYOVVTXBH-SNVBAGLBSA-N -1 0 338.864 3.933 20 0 EHADRM Cc1ccsc1CCCC(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000909845751 1041037326 /nfs/dbraw/zinc/03/73/26/1041037326.db2.gz FMACCULBHREOJH-UHFFFAOYSA-N -1 0 335.400 3.784 20 0 EHADRM O=C(N=c1[n-]nc(-c2cccc(Cl)c2)s1)N[C@@H]1C=CCCC1 ZINC000481561905 1041078264 /nfs/dbraw/zinc/07/82/64/1041078264.db2.gz ZXBXCWBDMMVPQK-GFCCVEGCSA-N -1 0 334.832 3.511 20 0 EHADRM C[C@@H](c1ccc(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)cc1)C(F)(F)F ZINC000909967777 1041085457 /nfs/dbraw/zinc/08/54/57/1041085457.db2.gz FXUYIMXXRJAFCI-IINYFYTJSA-N -1 0 343.345 3.583 20 0 EHADRM Cc1ccc([C@H](CC(=O)N[C@@H](C)c2c(F)cccc2F)C(=O)[O-])cc1 ZINC000899765013 1041093399 /nfs/dbraw/zinc/09/33/99/1041093399.db2.gz OENQWJPFESOKHJ-JSGCOSHPSA-N -1 0 347.361 3.709 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1ccc(OC(C)C)cc1F ZINC000899767440 1041097707 /nfs/dbraw/zinc/09/77/07/1041097707.db2.gz RHMYLPCNIGEEOM-GFCCVEGCSA-N -1 0 325.380 3.688 20 0 EHADRM Cc1ccc(-c2ncco2)cc1NC(=O)[C@H](CC(=O)[O-])CC(C)C ZINC000899774261 1041110639 /nfs/dbraw/zinc/11/06/39/1041110639.db2.gz CRVNCUPUONNDMP-AWEZNQCLSA-N -1 0 330.384 3.726 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)NCc1ccc(C(C)(F)F)cc1 ZINC000899786229 1041121751 /nfs/dbraw/zinc/12/17/51/1041121751.db2.gz QJVVMXYVDHQGLJ-ZDUSSCGKSA-N -1 0 327.371 3.552 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C(=O)[O-])c(Cl)c1C ZINC000899789920 1041128698 /nfs/dbraw/zinc/12/86/98/1041128698.db2.gz ZOHWWBPPHHCIMW-MCTLKSGKSA-N -1 0 333.815 3.808 20 0 EHADRM Cc1nccc(-c2cccc(NC(=O)[C@H](CC(=O)[O-])CC(C)C)c2)n1 ZINC000899797461 1041133536 /nfs/dbraw/zinc/13/35/36/1041133536.db2.gz COQKANUARCKTGM-HNNXBMFYSA-N -1 0 341.411 3.528 20 0 EHADRM Cc1ccccc1[C@H]1CCCN1C(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-] ZINC000899799170 1041136103 /nfs/dbraw/zinc/13/61/03/1041136103.db2.gz OYAMOZKZOMRYMT-UDBOJGRLSA-N -1 0 339.435 3.572 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)COc2cc(C)cc(C)c2)c(C)c1 ZINC000042276384 1041136458 /nfs/dbraw/zinc/13/64/58/1041136458.db2.gz QGUZOWZCXZMSIJ-UHFFFAOYSA-N -1 0 347.436 3.644 20 0 EHADRM CC[C@@H](SC)C(=O)N1CCC([C@@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000910030876 1041145842 /nfs/dbraw/zinc/14/58/42/1041145842.db2.gz DBDFODFFQPXSGP-DLBZAZTESA-N -1 0 349.496 3.625 20 0 EHADRM CCC(CC)(CNC(=O)c1ccoc1CC(=O)[O-])c1ccc(F)cc1 ZINC000910013440 1041150047 /nfs/dbraw/zinc/15/00/47/1041150047.db2.gz JVLQWMLWVMAKMK-UHFFFAOYSA-N -1 0 347.386 3.534 20 0 EHADRM Cc1ccc([C@H](CC(=O)N2CCCc3sccc3C2)C(=O)[O-])cc1 ZINC000899807431 1041153777 /nfs/dbraw/zinc/15/37/77/1041153777.db2.gz WRALYSGSILAOKE-INIZCTEOSA-N -1 0 343.448 3.590 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccn(CCC(C)C)n2)c(Cl)c1 ZINC000481624449 1041159573 /nfs/dbraw/zinc/15/95/73/1041159573.db2.gz URVKEYYIIGIGNY-UHFFFAOYSA-N -1 0 341.864 3.692 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N(C)[C@@H](C)c2ccccc2F)C(=O)[O-])cc1 ZINC000899814630 1041161762 /nfs/dbraw/zinc/16/17/62/1041161762.db2.gz RPZLHYNUXNZTCP-WMLDXEAASA-N -1 0 343.398 3.912 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)C[C@@H](C(=O)[O-])c1ccc(C)cc1)C(F)(F)F ZINC000899829498 1041188301 /nfs/dbraw/zinc/18/83/01/1041188301.db2.gz CSAALWCYPNPIRQ-LNSITVRQSA-N -1 0 345.361 3.647 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])cs1 ZINC000910107507 1041193081 /nfs/dbraw/zinc/19/30/81/1041193081.db2.gz NHFJZAAWDRADLQ-CYBMUJFWSA-N -1 0 348.424 3.843 20 0 EHADRM C[C@H](c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1)C(F)(F)F ZINC000910138996 1041199359 /nfs/dbraw/zinc/19/93/59/1041199359.db2.gz OOKZIYPELKGBRH-DDTOSNHZSA-N -1 0 343.345 3.726 20 0 EHADRM C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000910138807 1041200413 /nfs/dbraw/zinc/20/04/13/1041200413.db2.gz MHGPRIPGHHAQLE-LEWSCRJBSA-N -1 0 343.345 3.569 20 0 EHADRM Cc1ccc(-c2nnc(S(=O)(=O)[C@H](C)c3cccc(C)c3)[n-]2)cc1 ZINC000571150593 1041205232 /nfs/dbraw/zinc/20/52/32/1041205232.db2.gz HUSIGMLBWPRYFO-CQSZACIVSA-N -1 0 341.436 3.623 20 0 EHADRM CCc1n[n-]c(=NC(=O)N[C@@H](c2cccc(F)c2)C(C)(C)C)s1 ZINC000429220465 1041279559 /nfs/dbraw/zinc/27/95/59/1041279559.db2.gz OCGVKFUDUIBBKO-ZDUSSCGKSA-N -1 0 336.436 3.570 20 0 EHADRM CC(C)(C)c1ccc(O)c([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000319561467 1041326783 /nfs/dbraw/zinc/32/67/83/1041326783.db2.gz KWPCJFVVDFFUPK-UHFFFAOYSA-N -1 0 341.379 3.769 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCSC2(CCC2)CC1 ZINC000412459266 1041390274 /nfs/dbraw/zinc/39/02/74/1041390274.db2.gz ZTKZPHDQROWWSE-UHFFFAOYSA-N -1 0 329.824 3.687 20 0 EHADRM O=C([O-])CCCCC(=O)NCC1(c2ccc(Cl)cc2)CCCC1 ZINC000263266596 1041390662 /nfs/dbraw/zinc/39/06/62/1041390662.db2.gz HLMYMKQNFDMLBX-UHFFFAOYSA-N -1 0 337.847 3.913 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc3n[nH]cc3c(C)c2)sc1Cl ZINC000473490378 1041411238 /nfs/dbraw/zinc/41/12/38/1041411238.db2.gz OMSHOUODOWVPMD-UHFFFAOYSA-N -1 0 341.845 3.695 20 0 EHADRM CC(C)[C@H](NC(=O)c1cc(C(=O)[O-])co1)c1ccc(Cl)cc1F ZINC000432099729 1041595928 /nfs/dbraw/zinc/59/59/28/1041595928.db2.gz RTZNAUZUSDQJHY-AWEZNQCLSA-N -1 0 339.750 3.897 20 0 EHADRM O=C([O-])c1cccc(CC(=O)Nc2cccc(Oc3ccncc3)c2)c1 ZINC000432106561 1041599778 /nfs/dbraw/zinc/59/97/78/1041599778.db2.gz JSMCRQBNCWHKEC-UHFFFAOYSA-N -1 0 348.358 3.753 20 0 EHADRM CC[C@@H](CC1CCCCC1)C(=O)N[C@H](CC1(OC)CCC1)C(=O)[O-] ZINC000652108855 1041618767 /nfs/dbraw/zinc/61/87/67/1041618767.db2.gz YRPIKSDUCJRTER-JKSUJKDBSA-N -1 0 339.476 3.512 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000659165673 1041623254 /nfs/dbraw/zinc/62/32/54/1041623254.db2.gz BNOLBGPLOPSQPS-VHSXEESVSA-N -1 0 327.833 3.891 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000432129261 1041627947 /nfs/dbraw/zinc/62/79/47/1041627947.db2.gz KGQAXGYCFUVANQ-HNJNHCNJSA-N -1 0 337.847 3.668 20 0 EHADRM Cc1ccc(CCCCC(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])cc1 ZINC000432134610 1041636185 /nfs/dbraw/zinc/63/61/85/1041636185.db2.gz UVEYSAYIRJIAGK-PXNSSMCTSA-N -1 0 331.456 3.858 20 0 EHADRM CCOc1ccc(C)cc1Nc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC001213190072 1042025302 /nfs/dbraw/zinc/02/53/02/1042025302.db2.gz SBKOGNARKNDMHL-UHFFFAOYSA-N -1 0 342.395 3.941 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NCCCCCC(=O)[O-] ZINC000236724385 1042085718 /nfs/dbraw/zinc/08/57/18/1042085718.db2.gz IFCFQWHQOXRLJK-OAHLLOKOSA-N -1 0 335.444 3.647 20 0 EHADRM CCCCCC[C@](C)(NC(=O)[C@@H]1C[C@@H]1c1cccc(OC)c1)C(=O)[O-] ZINC000236726736 1042166249 /nfs/dbraw/zinc/16/62/49/1042166249.db2.gz OGYMKSBKAGVBEN-HLIPFELVSA-N -1 0 347.455 3.729 20 0 EHADRM O=C(NCCc1ccc(Cl)cc1)c1cc(F)c([O-])c(Cl)c1 ZINC000184174856 1042177945 /nfs/dbraw/zinc/17/79/45/1042177945.db2.gz KSKBOTUFHHHRLE-UHFFFAOYSA-N -1 0 328.170 3.811 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2cc(C(C)C)oc2C)n1 ZINC000659182045 1042321021 /nfs/dbraw/zinc/32/10/21/1042321021.db2.gz GNPULHPBJYJVHL-CYBMUJFWSA-N -1 0 333.388 3.586 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000048382389 1042326706 /nfs/dbraw/zinc/32/67/06/1042326706.db2.gz VTLBJHKRSPFBJT-STQMWFEESA-N -1 0 337.803 3.734 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc(Cl)cc2ccccc21 ZINC000663056844 1042403191 /nfs/dbraw/zinc/40/31/91/1042403191.db2.gz ORPNCLQNTVSBKY-WCQYABFASA-N -1 0 331.799 3.819 20 0 EHADRM C[C@@H](NC(=O)C1(C(=O)[O-])CCCCCC1)C1CCC(F)(F)CC1 ZINC000663120872 1042472507 /nfs/dbraw/zinc/47/25/07/1042472507.db2.gz ASPXJOCCQWXDFB-GFCCVEGCSA-N -1 0 331.403 3.742 20 0 EHADRM CCCn1nccc1CN[C@]1(C(=O)[O-])C[C@H](C(C)C)c2ccccc21 ZINC000663259746 1042609586 /nfs/dbraw/zinc/60/95/86/1042609586.db2.gz HIAZAMBAKOVBEF-YLJYHZDGSA-N -1 0 341.455 3.506 20 0 EHADRM CC(C)n1cc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)cn1 ZINC000663264560 1042610423 /nfs/dbraw/zinc/61/04/23/1042610423.db2.gz WCJGWDNQDWNXPD-CQSZACIVSA-N -1 0 342.226 3.686 20 0 EHADRM Oc1ccccc1C=Nn1c(=S)[n-]nc1-c1ccccc1Cl ZINC000254833797 1042635487 /nfs/dbraw/zinc/63/54/87/1042635487.db2.gz LBJXTNKRBYEIPB-UHFFFAOYSA-N -1 0 330.800 3.849 20 0 EHADRM Cn1c(NC(=O)c2ccc([O-])c(Cl)c2)nc2c1cccc2Cl ZINC000185834016 1042642559 /nfs/dbraw/zinc/64/25/59/1042642559.db2.gz VINCWTNMLHWQEU-UHFFFAOYSA-N -1 0 336.178 3.838 20 0 EHADRM Cc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(Cl)c1[O-] ZINC000186262400 1042653559 /nfs/dbraw/zinc/65/35/59/1042653559.db2.gz OCVDRFFNLOFLGD-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM Cc1cc(C)c(CC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c(C)c1 ZINC000653328987 1042665896 /nfs/dbraw/zinc/66/58/96/1042665896.db2.gz PSUNWLPJXMQZBE-RBUKOAKNSA-N -1 0 337.419 3.584 20 0 EHADRM CC(C)Oc1ccc([C@@H](C)NC(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000186569594 1042671329 /nfs/dbraw/zinc/67/13/29/1042671329.db2.gz XVUNRYMZRHNAAW-LLVKDONJSA-N -1 0 335.350 3.949 20 0 EHADRM O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)c1cc(F)c([O-])c(F)c1 ZINC000186719310 1042691166 /nfs/dbraw/zinc/69/11/66/1042691166.db2.gz DSRGLUKCFNUXKC-UHFFFAOYSA-N -1 0 349.724 3.762 20 0 EHADRM COc1ccc(OC(C)C)c(NC(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000186788986 1042707251 /nfs/dbraw/zinc/70/72/51/1042707251.db2.gz SPKFIYHEELRKIL-UHFFFAOYSA-N -1 0 337.322 3.719 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663348104 1042734555 /nfs/dbraw/zinc/73/45/55/1042734555.db2.gz ITZFQZCKZQAROG-GFCCVEGCSA-N -1 0 344.333 3.636 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)Nc1cc(C(F)F)ccc1Cl)C1CCC1 ZINC000663349054 1042738031 /nfs/dbraw/zinc/73/80/31/1042738031.db2.gz CBNWFHVMUUNZAJ-JTQLQIEISA-N -1 0 346.761 3.900 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cn1 ZINC000187030019 1042746080 /nfs/dbraw/zinc/74/60/80/1042746080.db2.gz SOAWKYABAOWXFF-UHFFFAOYSA-N -1 0 348.371 3.623 20 0 EHADRM O=C(CSc1ccc2ccccc2c1)[N-]OCCC(F)(F)F ZINC000162929399 1042772137 /nfs/dbraw/zinc/77/21/37/1042772137.db2.gz IWWAABMROSFROL-UHFFFAOYSA-N -1 0 329.343 3.932 20 0 EHADRM Cc1cccc(Oc2cc(CN=c3[n-]nc(C(F)F)o3)ccn2)c1C ZINC000432313969 1042802799 /nfs/dbraw/zinc/80/27/99/1042802799.db2.gz PIVXDYPNMOGNIY-UHFFFAOYSA-N -1 0 346.337 3.845 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2ccc3c(c2)C(=O)CCCC3)CCC1 ZINC000643343557 1042838409 /nfs/dbraw/zinc/83/84/09/1042838409.db2.gz LZMQSSXWEATNMK-UHFFFAOYSA-N -1 0 329.396 3.569 20 0 EHADRM FC(F)c1n[n-]c(=NCc2ccc(COc3ccccc3)cc2)o1 ZINC000432320038 1042856694 /nfs/dbraw/zinc/85/66/94/1042856694.db2.gz LFCWAOFZLCLHEA-UHFFFAOYSA-N -1 0 331.322 3.620 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)[N-]OCCC(F)(F)F ZINC000162968289 1042918971 /nfs/dbraw/zinc/91/89/71/1042918971.db2.gz POPSJRYPJNNQHD-QMMMGPOBSA-N -1 0 327.755 3.821 20 0 EHADRM CCO[N-]C(=O)C(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1 ZINC000785357635 1042889972 /nfs/dbraw/zinc/88/99/72/1042889972.db2.gz JXFRVFVWLOUEIA-ZDUSSCGKSA-N -1 0 344.436 3.546 20 0 EHADRM Cc1ccc2cc(Cl)cc(C(=O)N3C[C@H](C(=O)[O-])CC[C@@H]3C)c2n1 ZINC000647742582 1042947917 /nfs/dbraw/zinc/94/79/17/1042947917.db2.gz BJGJWKXHNPYYTC-WCQYABFASA-N -1 0 346.814 3.522 20 0 EHADRM Cc1ccc2cc(Cl)cc(C(=O)N3CCC[C@@H](C)[C@@H]3C(=O)[O-])c2n1 ZINC000647743626 1042960142 /nfs/dbraw/zinc/96/01/42/1042960142.db2.gz RFAVEAWNJZPKBG-QLJPJBMISA-N -1 0 346.814 3.522 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)CCc2cc(Cl)cs2)c2ccccc21 ZINC000653331537 1042965424 /nfs/dbraw/zinc/96/54/24/1042965424.db2.gz SPFDCMJWHPUDPS-LSDHHAIUSA-N -1 0 349.839 3.764 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)c2ccc3c(c2)CCCC3)c2ccccc21 ZINC000653333158 1042981454 /nfs/dbraw/zinc/98/14/54/1042981454.db2.gz LWVUFMFMGUFBNX-MOPGFXCFSA-N -1 0 335.403 3.608 20 0 EHADRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cnccc1-c1ccccc1 ZINC000432350652 1042986753 /nfs/dbraw/zinc/98/67/53/1042986753.db2.gz ZOFBUNHBQIJBJV-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000319739226 1043001582 /nfs/dbraw/zinc/00/15/82/1043001582.db2.gz CUFZZBKFOQJCPS-KGLIPLIRSA-N -1 0 330.409 3.640 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000317654256 1043016840 /nfs/dbraw/zinc/01/68/40/1043016840.db2.gz DCHWDMXHVPAYON-YNZJMPHRSA-N -1 0 341.860 3.580 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)C2(Cc3ccccc3)CCC2)c2ccccc21 ZINC000653334135 1043123257 /nfs/dbraw/zinc/12/32/57/1043123257.db2.gz XYHHHPQVDGGLQY-OALUTQOASA-N -1 0 349.430 3.829 20 0 EHADRM COc1ccc(NC(=O)Cc2coc3cc(C)ccc23)c(C(=O)[O-])c1 ZINC000326937597 1043455934 /nfs/dbraw/zinc/45/59/34/1043455934.db2.gz AEJWJDMEFGPJEU-UHFFFAOYSA-N -1 0 339.347 3.629 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1csc(C(C)C)n1 ZINC000236831579 1043598538 /nfs/dbraw/zinc/59/85/38/1043598538.db2.gz ZBMLKDPOXPUWBB-CYBMUJFWSA-N -1 0 332.425 3.521 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)C1(C)C ZINC000647760087 1043883840 /nfs/dbraw/zinc/88/38/40/1043883840.db2.gz LOOHCMZLBUFUNE-XMTFNYHQSA-N -1 0 341.451 3.552 20 0 EHADRM C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)N=c1[n-]nc(C(F)F)s1 ZINC000348923505 1044115216 /nfs/dbraw/zinc/11/52/16/1044115216.db2.gz WWRRCZLTUJCKQQ-BDAKNGLRSA-N -1 0 332.420 3.576 20 0 EHADRM COc1ccc2c(c1)N(C(=O)c1ccc3oc(=S)[n-]c3c1)CCC2 ZINC001167877427 1044246333 /nfs/dbraw/zinc/24/63/33/1044246333.db2.gz VXEILFQJLFOFBC-UHFFFAOYSA-N -1 0 340.404 3.718 20 0 EHADRM COc1c(Br)cc(F)cc1[N-]c1nnc(C(C)C)o1 ZINC001211706526 1044457115 /nfs/dbraw/zinc/45/71/15/1044457115.db2.gz WFMPDHQSNLLTDE-UHFFFAOYSA-N -1 0 330.157 3.847 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1C ZINC000337881785 1044514904 /nfs/dbraw/zinc/51/49/04/1044514904.db2.gz YPFZXZODSLRSQF-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C1 ZINC000318719505 1044805222 /nfs/dbraw/zinc/80/52/22/1044805222.db2.gz KQDDDOQYSAIPBF-MRVPVSSYSA-N -1 0 349.189 3.851 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1cc(-n2cccn2)ccn1 ZINC000154723595 1125751578 /nfs/dbraw/zinc/75/15/78/1125751578.db2.gz GTYWJAORNFUCTI-UHFFFAOYSA-N -1 0 349.177 3.532 20 0 EHADRM O=C([O-])[C@@H](Cc1ccccc1)NCc1nc(C2CCCCC2)cs1 ZINC001601660967 1126224989 /nfs/dbraw/zinc/22/49/89/1126224989.db2.gz ZGEFZVSFPIENJY-MRXNPFEDSA-N -1 0 344.480 3.976 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CCCc2cccc(O)c21 ZINC000622475324 1126704924 /nfs/dbraw/zinc/70/49/24/1126704924.db2.gz WQNFHKTUGWJOQK-UHFFFAOYSA-N -1 0 337.297 3.710 20 0 EHADRM Cc1c(C(F)(F)F)[n-][nH]c1=NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000622565183 1126719251 /nfs/dbraw/zinc/71/92/51/1126719251.db2.gz PIZWLABBYRUVDY-QWRGUYRKSA-N -1 0 343.736 3.554 20 0 EHADRM CC(C)NC(=O)Nc1ccc(C(=O)Nc2cccc(Cl)c2[O-])cc1 ZINC000172108503 1126780739 /nfs/dbraw/zinc/78/07/39/1126780739.db2.gz XUSXOVBYSPJLIK-UHFFFAOYSA-N -1 0 347.802 3.828 20 0 EHADRM O=C([O-])CC1(CC(=O)NCc2ccc(F)c(Cl)c2)CCCCC1 ZINC000336865295 1126812868 /nfs/dbraw/zinc/81/28/68/1126812868.db2.gz WBCIQRHOIPETEM-UHFFFAOYSA-N -1 0 341.810 3.911 20 0 EHADRM C[C@H](CC(F)(F)F)C(=O)N=c1ccc(-c2ccc(Cl)s2)n[n-]1 ZINC000622929508 1126834263 /nfs/dbraw/zinc/83/42/63/1126834263.db2.gz TTZDFAZTDIFVFL-SSDOTTSWSA-N -1 0 349.765 3.807 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2Cl)c(C)c1O ZINC000179973875 1127105904 /nfs/dbraw/zinc/10/59/04/1127105904.db2.gz HDAVKXFRYCXZIO-UHFFFAOYSA-N -1 0 325.817 3.772 20 0 EHADRM CC[C@H]([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)C(C)(C)c1ccccc1 ZINC000184569676 1127409044 /nfs/dbraw/zinc/40/90/44/1127409044.db2.gz OOBLEPNXSMMUFP-AAEUAGOBSA-N -1 0 337.407 3.613 20 0 EHADRM CCCCCS(=O)(=O)[N-][C@H](c1cccc(F)c1F)C(F)(F)F ZINC000184875188 1127415541 /nfs/dbraw/zinc/41/55/41/1127415541.db2.gz IADOUAOELFUAIC-GFCCVEGCSA-N -1 0 345.333 3.678 20 0 EHADRM CSc1cccc(N(C)C(=O)c2cc(F)c(F)c([O-])c2F)c1 ZINC000185747600 1127430737 /nfs/dbraw/zinc/43/07/37/1127430737.db2.gz BKJWEIIBNZADDG-UHFFFAOYSA-N -1 0 327.327 3.808 20 0 EHADRM CCC[C@H](C)c1cc([N-]S(=O)(=O)Cc2c(F)cccc2F)n[nH]1 ZINC000194608180 1127463394 /nfs/dbraw/zinc/46/33/94/1127463394.db2.gz VQMBWRFGEBOKDG-JTQLQIEISA-N -1 0 343.399 3.533 20 0 EHADRM O=C(N[C@@H](CCO)C1CC1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000764711512 1127524877 /nfs/dbraw/zinc/52/48/77/1127524877.db2.gz PXROPYWTYCPXPJ-KRWDZBQOSA-N -1 0 345.826 3.603 20 0 EHADRM Cc1ccc([C@@H](C)[C@H](O)C(=O)Nc2ccc3[n-]c(=S)oc3c2)cc1 ZINC000765175765 1127582291 /nfs/dbraw/zinc/58/22/91/1127582291.db2.gz FYNPRURSZQFYPK-BZNIZROVSA-N -1 0 342.420 3.528 20 0 EHADRM O=C(Nc1nnc(/C=C\c2ccco2)s1)c1c([O-])cccc1Cl ZINC000765419675 1127610715 /nfs/dbraw/zinc/61/07/15/1127610715.db2.gz DBRLQHREYGEUJN-SREVYHEPSA-N -1 0 347.783 3.913 20 0 EHADRM Cc1oc(-c2ccccc2)nc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000041574462 1127627578 /nfs/dbraw/zinc/62/75/78/1127627578.db2.gz ZKEOWYAGKIISBO-HNNXBMFYSA-N -1 0 332.363 3.547 20 0 EHADRM C[C@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC000901883455 1127736573 /nfs/dbraw/zinc/73/65/73/1127736573.db2.gz QXTQRLBVQLFTLO-LLVKDONJSA-N -1 0 347.465 3.870 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2csc(-c3ccccc3)n2)c1 ZINC000671663546 1127770985 /nfs/dbraw/zinc/77/09/85/1127770985.db2.gz WVQCOUXTYZAJGA-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM COc1cccc(S(=O)(=O)[N-]c2csc(-c3ccccc3)n2)c1 ZINC000671663281 1127773354 /nfs/dbraw/zinc/77/33/54/1127773354.db2.gz SUYAPYVKKFVOSX-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM O=S(=O)([N-]c1cc2ccccn2n1)c1ccc(-c2ccccc2)cc1 ZINC000671669479 1127798648 /nfs/dbraw/zinc/79/86/48/1127798648.db2.gz UWMUADCFFITIFQ-UHFFFAOYSA-N -1 0 349.415 3.802 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1ccc([O-])c(Cl)c1)Nc1ccccc1 ZINC000042790428 1127900336 /nfs/dbraw/zinc/90/03/36/1127900336.db2.gz AGMGEDBWJVQWRO-MRXNPFEDSA-N -1 0 332.831 3.912 20 0 EHADRM CC(C)COc1ccccc1CN=c1[n-]nc(C2CCOCC2)s1 ZINC000338657794 1128002048 /nfs/dbraw/zinc/00/20/48/1128002048.db2.gz VGHGBNFPTXKXIS-UHFFFAOYSA-N -1 0 347.484 3.501 20 0 EHADRM Cc1cccc([C@H]2CCCN2Cc2c([O-])nnn2-c2ccccc2)c1 ZINC000057091270 1128037155 /nfs/dbraw/zinc/03/71/55/1128037155.db2.gz RSXUTHROOQWRED-GOSISDBHSA-N -1 0 334.423 3.618 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000060441615 1128101571 /nfs/dbraw/zinc/10/15/71/1128101571.db2.gz VEBVSCYVFVFZIK-UHFFFAOYSA-N -1 0 345.342 3.694 20 0 EHADRM Cc1cc([C@@H]2CCCN2C(=O)c2ccc3[n-]c(=S)oc3c2)no1 ZINC000072866771 1128308370 /nfs/dbraw/zinc/30/83/70/1128308370.db2.gz NYWYCQQYONAICO-ZDUSSCGKSA-N -1 0 329.381 3.764 20 0 EHADRM COc1ccc2cc([C@H](C)C(=O)[N-]S(=O)(=O)CC3CC3)ccc2c1 ZINC000073537466 1128393210 /nfs/dbraw/zinc/39/32/10/1128393210.db2.gz XLZXVHVVGCVBJC-LBPRGKRZSA-N -1 0 347.436 3.648 20 0 EHADRM CCCOc1cc(C)ccc1NC(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000055150520 1128506757 /nfs/dbraw/zinc/50/67/57/1128506757.db2.gz IXSHVDCLAOOKJL-MRXNPFEDSA-N -1 0 341.407 3.981 20 0 EHADRM C[C@H](CNC(=O)N[C@H](C)c1ccc(Cl)c2ccccc21)C(=O)[O-] ZINC000655874407 1128515615 /nfs/dbraw/zinc/51/56/15/1128515615.db2.gz OUPPKWCKEMEVRK-GHMZBOCLSA-N -1 0 334.803 3.574 20 0 EHADRM CC(C)Cc1nc(=N[C@@H]2CCCc3cn(C4CCCC4)nc32)s[n-]1 ZINC000499406206 1128585092 /nfs/dbraw/zinc/58/50/92/1128585092.db2.gz IGEXGYIVTOWJLG-OAHLLOKOSA-N -1 0 345.516 3.960 20 0 EHADRM Cc1ccc2nc([N-]S(=O)(=O)c3cc(F)cc(F)c3)sc2c1 ZINC000057733547 1128663168 /nfs/dbraw/zinc/66/31/68/1128663168.db2.gz NOZLTYQEJWTQTI-UHFFFAOYSA-N -1 0 340.376 3.684 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)CCc1ccc(Cl)cc1Cl ZINC000388434807 1128740981 /nfs/dbraw/zinc/74/09/81/1128740981.db2.gz GHFDZJIWPFYWQO-BBRMVZONSA-N -1 0 344.238 3.686 20 0 EHADRM CCOc1ccccc1OCCCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000013166598 1128848133 /nfs/dbraw/zinc/84/81/33/1128848133.db2.gz UNUKTFIZCUZFER-UHFFFAOYSA-N -1 0 343.379 3.581 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)no1 ZINC000007422940 1128865979 /nfs/dbraw/zinc/86/59/79/1128865979.db2.gz QDJMKGSJJHPNEU-UHFFFAOYSA-N -1 0 335.212 3.707 20 0 EHADRM Cc1ccnc(N2CCC(C(=O)c3ccc(O)cc3)CC2)c1Cl ZINC000672241818 1128874968 /nfs/dbraw/zinc/87/49/68/1128874968.db2.gz VHRNBKKFISXPLB-UHFFFAOYSA-N -1 0 330.815 3.848 20 0 EHADRM CC[C@H]1CN(C(=O)c2c([O-])cc(Cl)cc2Cl)C[C@H](CC)O1 ZINC001648852320 1120054757 /nfs/dbraw/zinc/05/47/57/1120054757.db2.gz ZAUHITDQPAHHPN-QWRGUYRKSA-N -1 0 332.227 3.729 20 0 EHADRM COc1cccc2c1CN(C(=O)c1cccc(C(F)(F)F)c1[O-])C2 ZINC001648853608 1120055143 /nfs/dbraw/zinc/05/51/43/1120055143.db2.gz JZBINFRUZQYQGD-UHFFFAOYSA-N -1 0 337.297 3.576 20 0 EHADRM CC[C@@H](NCc1csc(Cl)c1Cl)c1nc(C(=O)[O-])c[nH]1 ZINC000904064447 1120351162 /nfs/dbraw/zinc/35/11/62/1120351162.db2.gz JEILQURWGVQFNC-SSDOTTSWSA-N -1 0 334.228 3.717 20 0 EHADRM O=S(=O)([N-]c1ccc2scnc2c1)c1c(F)cccc1Cl ZINC000184834936 1120389043 /nfs/dbraw/zinc/38/90/43/1120389043.db2.gz JIWYOHZIXVWXHL-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(OC(F)F)cc1 ZINC000186913764 1120478915 /nfs/dbraw/zinc/47/89/15/1120478915.db2.gz IZSCOCMRVHPTCY-UHFFFAOYSA-N -1 0 331.315 3.536 20 0 EHADRM Cc1occc1S([O-])=CC(=O)N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000189626008 1120602440 /nfs/dbraw/zinc/60/24/40/1120602440.db2.gz QFAMCCIUKBJCSL-JBEBIEQOSA-N -1 0 347.480 3.772 20 0 EHADRM Cn1ccc2cccc([N-]S(=O)(=O)c3cccc4cccnc43)c21 ZINC000190852165 1120652312 /nfs/dbraw/zinc/65/23/12/1120652312.db2.gz LUQICROKRURGGE-UHFFFAOYSA-N -1 0 337.404 3.527 20 0 EHADRM Cc1cnc([C@H](C)CNC(=O)c2cc(O)c3ccccc3c2)s1 ZINC000355801174 1128936735 /nfs/dbraw/zinc/93/67/35/1128936735.db2.gz FSBCMJWFQZEPTE-LLVKDONJSA-N -1 0 326.421 3.844 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)c2cccnc12 ZINC000193126071 1120759896 /nfs/dbraw/zinc/75/98/96/1120759896.db2.gz AQPDQOOBKROBPB-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)Cc2cccc3cccnc32)cc1 ZINC000761667648 1120769885 /nfs/dbraw/zinc/76/98/85/1120769885.db2.gz CUIPPSAJGKZWAK-FLIBITNWSA-N -1 0 332.359 3.514 20 0 EHADRM C[C@@H](CCCC(F)(F)F)NC(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000494764317 1120782152 /nfs/dbraw/zinc/78/21/52/1120782152.db2.gz CTYBOMSJIMACFR-QMMMGPOBSA-N -1 0 338.399 3.500 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)F)cc1C ZINC000195437877 1120784327 /nfs/dbraw/zinc/78/43/27/1120784327.db2.gz LJUJYVKYSJHKOY-UHFFFAOYSA-N -1 0 327.352 3.706 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N[C@@H]2CCCC(F)(F)C2)s1 ZINC000495128970 1120963969 /nfs/dbraw/zinc/96/39/69/1120963969.db2.gz OQWRGPLQKZDAQG-SNVBAGLBSA-N -1 0 332.420 3.563 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2)cc1 ZINC000302954011 1121109385 /nfs/dbraw/zinc/10/93/85/1121109385.db2.gz AXBWGONDOZNFJL-UHFFFAOYSA-N -1 0 341.436 3.626 20 0 EHADRM O=C(Nc1nnc(-c2ccsc2)s1)c1c([O-])cc(F)cc1F ZINC000076993697 1128972379 /nfs/dbraw/zinc/97/23/79/1128972379.db2.gz FQJHHLQZXTXFNW-UHFFFAOYSA-N -1 0 339.348 3.503 20 0 EHADRM Cc1cc(-c2ccccc2)ccc1NC(=O)Cc1c(C)nc(C)[nH]c1=O ZINC000915260428 1121287741 /nfs/dbraw/zinc/28/77/41/1121287741.db2.gz OOXXIVUAFHHONA-UHFFFAOYSA-N -1 0 347.418 3.956 20 0 EHADRM CC[C@@H](OC(=O)c1ccc([O-])c(Cl)c1)C(=O)c1ccc(OC)cc1 ZINC000762825275 1121450139 /nfs/dbraw/zinc/45/01/39/1121450139.db2.gz VPQZMKIKXQSTFC-MRXNPFEDSA-N -1 0 348.782 3.873 20 0 EHADRM CCS[C@H](C)c1noc(COC(=O)c2ccc([O-])c(Cl)c2)n1 ZINC000762831001 1121452839 /nfs/dbraw/zinc/45/28/39/1121452839.db2.gz QFJHNOJSWZATCH-MRVPVSSYSA-N -1 0 342.804 3.600 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1ccc2cc[nH]c2c1 ZINC000236642657 1121458658 /nfs/dbraw/zinc/45/86/58/1121458658.db2.gz DEYAREVAQNVYMB-UHFFFAOYSA-N -1 0 338.363 3.906 20 0 EHADRM CC(C)C[C@@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000236788143 1121463383 /nfs/dbraw/zinc/46/33/83/1121463383.db2.gz LYCSZFJDILUXLL-NQBHXWOUSA-N -1 0 344.238 3.712 20 0 EHADRM CSc1ccc(C)c(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1 ZINC000262466387 1121466842 /nfs/dbraw/zinc/46/68/42/1121466842.db2.gz IXTZKRDEEWOHTE-MAZHCROVSA-N -1 0 333.453 3.575 20 0 EHADRM COc1cccc(Cl)c1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000237268299 1121478107 /nfs/dbraw/zinc/47/81/07/1121478107.db2.gz YXKDRWYNDPGUIE-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM C[C@@H](CC1CCCCC1)C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000237491430 1121485461 /nfs/dbraw/zinc/48/54/61/1121485461.db2.gz JEOBNRSTNWBAHB-MAUKXSAKSA-N -1 0 331.456 3.653 20 0 EHADRM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000237520812 1121486496 /nfs/dbraw/zinc/48/64/96/1121486496.db2.gz JIHFMVSIQGUBLK-SECBINFHSA-N -1 0 337.734 3.583 20 0 EHADRM C[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000237691029 1121491741 /nfs/dbraw/zinc/49/17/41/1121491741.db2.gz FNAQDLDLEVFYMR-VIFPVBQESA-N -1 0 337.734 3.583 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)Nc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000324402231 1121494871 /nfs/dbraw/zinc/49/48/71/1121494871.db2.gz HSHRMXGFLSXUFN-INIZCTEOSA-N -1 0 326.396 3.974 20 0 EHADRM COCc1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000055595318 1121842433 /nfs/dbraw/zinc/84/24/33/1121842433.db2.gz HELRVJDVERRVIT-UHFFFAOYSA-N -1 0 346.235 3.941 20 0 EHADRM CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000055644737 1121849623 /nfs/dbraw/zinc/84/96/23/1121849623.db2.gz WTOXSIOXNJXDFP-UHFFFAOYSA-N -1 0 347.436 3.787 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2ccc(CC)s2)cc1F ZINC000055678322 1121855668 /nfs/dbraw/zinc/85/56/68/1121855668.db2.gz IWKHYPCGZQYJBY-UHFFFAOYSA-N -1 0 329.418 3.649 20 0 EHADRM O=S(=O)([O-])c1cccc(-c2cc(Cl)c(Cl)c(Cl)c2)n1 ZINC001235910348 1121953773 /nfs/dbraw/zinc/95/37/73/1121953773.db2.gz VZMQDFDYIGLCAG-UHFFFAOYSA-N -1 0 338.599 3.956 20 0 EHADRM Cc1ccc(C=C(Cl)c2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc1 ZINC000916127142 1122067981 /nfs/dbraw/zinc/06/79/81/1122067981.db2.gz GORDUSZUQIVKAW-RIYZIHGNSA-N -1 0 340.766 3.667 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)cc1 ZINC000916186595 1122091647 /nfs/dbraw/zinc/09/16/47/1122091647.db2.gz SDMJVXLZPQSKLU-IRXDYDNUSA-N -1 0 349.496 3.682 20 0 EHADRM Cc1ccc(C(=O)CCCC(=O)N=c2nc(C(C)(C)C)[n-]s2)cc1 ZINC000497113097 1122339077 /nfs/dbraw/zinc/33/90/77/1122339077.db2.gz GWUBJUJOZOHSLF-UHFFFAOYSA-N -1 0 345.468 3.558 20 0 EHADRM COC(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2[O-])c1C ZINC000497148395 1122348052 /nfs/dbraw/zinc/34/80/52/1122348052.db2.gz LSOGBLSLBYTVLG-UHFFFAOYSA-N -1 0 334.759 3.785 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)c2ccc(SC(C)C)cc2)c1 ZINC000916776124 1122350515 /nfs/dbraw/zinc/35/05/15/1122350515.db2.gz JZIZPHVRSQIZBT-UHFFFAOYSA-N -1 0 349.477 3.614 20 0 EHADRM COc1cc(-c2nc3cc(C)ccc3s2)ccc1OCC(=O)[O-] ZINC000916854254 1122368103 /nfs/dbraw/zinc/36/81/03/1122368103.db2.gz DXTLSDXZWDEQKL-UHFFFAOYSA-N -1 0 329.377 3.744 20 0 EHADRM C[C@@H](CC1CC1)NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000497317825 1122448872 /nfs/dbraw/zinc/44/88/72/1122448872.db2.gz AOJRJCILDXLORC-QMMMGPOBSA-N -1 0 341.782 3.826 20 0 EHADRM O=C(NCCCSc1ccccn1)c1cc(O)c2ccccc2c1 ZINC000511239326 1122460861 /nfs/dbraw/zinc/46/08/61/1122460861.db2.gz HEKKYPXEARPYCW-UHFFFAOYSA-N -1 0 338.432 3.853 20 0 EHADRM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1n[nH]c2c1CCC2 ZINC000127614140 1122497558 /nfs/dbraw/zinc/49/75/58/1122497558.db2.gz KHXNVQJEMLBXAW-UHFFFAOYSA-N -1 0 346.601 3.817 20 0 EHADRM O=S(=O)(Nc1cccc(O)c1F)c1cc(Cl)ccc1Cl ZINC000127900354 1122514264 /nfs/dbraw/zinc/51/42/64/1122514264.db2.gz QYCGQRSCVZBXBU-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CC[C@H]3C(C)C)n2)c1 ZINC000497909936 1122698939 /nfs/dbraw/zinc/69/89/39/1122698939.db2.gz VYRJTJQLNNSCFO-INIZCTEOSA-N -1 0 327.428 3.572 20 0 EHADRM O=S(=O)(Cc1cccc(F)c1)[N-][C@H](c1ccccc1)C(F)(F)F ZINC000068881669 1122717824 /nfs/dbraw/zinc/71/78/24/1122717824.db2.gz UCUYJBGRUYVOSR-CQSZACIVSA-N -1 0 347.333 3.549 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000129388661 1122773629 /nfs/dbraw/zinc/77/36/29/1122773629.db2.gz XDBHDKRDNCXJCI-MRXNPFEDSA-N -1 0 345.826 3.867 20 0 EHADRM O=S(=O)([N-]c1ccc(Oc2ccccc2)cn1)c1ccccc1 ZINC000069678161 1122811468 /nfs/dbraw/zinc/81/14/68/1122811468.db2.gz DXLBEVJNIQBLQP-UHFFFAOYSA-N -1 0 326.377 3.675 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@@H](CC(=O)[O-])C1)Cc1ccc(Cl)cc1 ZINC000556145107 1122840851 /nfs/dbraw/zinc/84/08/51/1122840851.db2.gz CFHAHLQDWRKMQV-ZFWWWQNUSA-N -1 0 337.847 3.622 20 0 EHADRM C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)cn1 ZINC000556263105 1122904285 /nfs/dbraw/zinc/90/42/85/1122904285.db2.gz BNRLPFMZLGLYGL-JTQLQIEISA-N -1 0 349.387 3.540 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C3CCC3)cn2)cc1 ZINC000556264937 1122906289 /nfs/dbraw/zinc/90/62/89/1122906289.db2.gz DDVPUWFDUPIJJF-UHFFFAOYSA-N -1 0 332.425 3.549 20 0 EHADRM COc1ccc([C@H](C)N(C)C(=O)c2ccc3[n-]c(=S)oc3c2)cc1 ZINC000154830249 1122927237 /nfs/dbraw/zinc/92/72/37/1122927237.db2.gz YKPHRMYVMCXRQE-NSHDSACASA-N -1 0 342.420 3.958 20 0 EHADRM CCCc1ccccc1[N-]S(=O)(=O)c1cccc(C)c1C(=O)OC ZINC000194863115 1123013742 /nfs/dbraw/zinc/01/37/42/1123013742.db2.gz NLSZNSYURTXRKG-UHFFFAOYSA-N -1 0 347.436 3.535 20 0 EHADRM Cc1ccc(-c2cc(C(=O)OCc3ccccc3OC(F)F)n[nH]2)o1 ZINC000919329810 1123022453 /nfs/dbraw/zinc/02/24/53/1123022453.db2.gz VEJOYTUMMWKTER-UHFFFAOYSA-N -1 0 348.305 3.937 20 0 EHADRM Cc1ccc(-c2cc(C(=O)OCCO[C@@H]3CCCC[C@@H]3C)n[nH]2)o1 ZINC000919328985 1123022660 /nfs/dbraw/zinc/02/26/60/1123022660.db2.gz KDIYHUPGQKBJAG-BLLLJJGKSA-N -1 0 332.400 3.730 20 0 EHADRM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1cc2ccccc2o1 ZINC000131795935 1123181153 /nfs/dbraw/zinc/18/11/53/1123181153.db2.gz BXXJZLBGMAYSIE-UHFFFAOYSA-N -1 0 327.283 3.651 20 0 EHADRM Cc1oncc1[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000132602741 1123256582 /nfs/dbraw/zinc/25/65/82/1123256582.db2.gz VBAJQUBLCQSKRQ-UHFFFAOYSA-N -1 0 328.802 3.652 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cccc(C(C)C)c2)cnn1CC(C)C ZINC000499268754 1123324070 /nfs/dbraw/zinc/32/40/70/1123324070.db2.gz SOGCDELSQBHPLE-UHFFFAOYSA-N -1 0 335.473 3.772 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cccc3ccccc32)cnn1CC(C)C ZINC000499274712 1123326312 /nfs/dbraw/zinc/32/63/12/1123326312.db2.gz RKEAFWKZBOPVIX-UHFFFAOYSA-N -1 0 343.452 3.802 20 0 EHADRM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccccc1-c1ccno1 ZINC000499334485 1123348729 /nfs/dbraw/zinc/34/87/29/1123348729.db2.gz MNPUSLLANQEMNB-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM CCc1ccc(O)c(NC(=O)c2ccc(Br)c([O-])c2)c1 ZINC000133555863 1123401839 /nfs/dbraw/zinc/40/18/39/1123401839.db2.gz HLHCAQLJQSVULL-UHFFFAOYSA-N -1 0 336.185 3.675 20 0 EHADRM COc1cc(C)cc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)c1C ZINC000263108505 1123421638 /nfs/dbraw/zinc/42/16/38/1123421638.db2.gz VIAOMIZHEYIJRK-UHFFFAOYSA-N -1 0 342.395 3.973 20 0 EHADRM O=S(=O)([N-]c1cc(-c2cccs2)[nH]n1)c1ccccc1Cl ZINC000077888198 1123586764 /nfs/dbraw/zinc/58/67/64/1123586764.db2.gz QVTNFRCEMMNTDE-UHFFFAOYSA-N -1 0 339.829 3.592 20 0 EHADRM O=S(=O)([N-]c1cccc(Cl)c1O)c1ccc2ccccc2c1 ZINC000078002216 1123592521 /nfs/dbraw/zinc/59/25/21/1123592521.db2.gz LGFSQLQVHDZWHH-UHFFFAOYSA-N -1 0 333.796 4.000 20 0 EHADRM Cc1ccc2cccc(C(=O)Nc3ccc(-c4nc(=O)o[n-]4)cc3)c2n1 ZINC000078102082 1123599384 /nfs/dbraw/zinc/59/93/84/1123599384.db2.gz KAOGNTWTLIQIKS-UHFFFAOYSA-N -1 0 346.346 3.551 20 0 EHADRM CCOC(=O)c1csc(C(C#N)=C([O-])C=C(C)c2ccccc2)n1 ZINC000067897440 1123776807 /nfs/dbraw/zinc/77/68/07/1123776807.db2.gz GCIZIQGCJBVZHM-FWLQQBITSA-N -1 0 340.404 3.600 20 0 EHADRM Cc1ccc([C@H](NC(=O)N=c2[n-]nc(C(C)(C)C)s2)C2CC2)cc1 ZINC000615567868 1123827924 /nfs/dbraw/zinc/82/79/24/1123827924.db2.gz SUHNDBXSYBWJFD-AWEZNQCLSA-N -1 0 344.484 3.839 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N(C2CC2)[C@H]2CCc3ccccc32)C1 ZINC000179976255 1123910864 /nfs/dbraw/zinc/91/08/64/1123910864.db2.gz MYYKOSJWSPOWGY-VKJFTORMSA-N -1 0 327.424 3.556 20 0 EHADRM Cc1nc(C)c(CCNC(=O)c2c([O-])cc(Cl)cc2Cl)s1 ZINC000081959067 1123935387 /nfs/dbraw/zinc/93/53/87/1123935387.db2.gz RMVUDDKKIYYZMX-UHFFFAOYSA-N -1 0 345.251 3.745 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000238102147 1123979751 /nfs/dbraw/zinc/97/97/51/1123979751.db2.gz DAZIYTMUKMWVME-HOTGVXAUSA-N -1 0 337.847 3.985 20 0 EHADRM Cc1cc(OCC(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)ccc1Cl ZINC000324837910 1124050554 /nfs/dbraw/zinc/05/05/54/1124050554.db2.gz HQGVOSSWTLUMLY-WTKPLQERSA-N -1 0 345.782 3.764 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)C2(Cc3ccccc3Cl)CC2)C1 ZINC000263544354 1124059155 /nfs/dbraw/zinc/05/91/55/1124059155.db2.gz SLALNWMBXSQRFY-LJQANCHMSA-N -1 0 349.858 3.622 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000263549351 1124080518 /nfs/dbraw/zinc/08/05/18/1124080518.db2.gz VRDILEMSKIVFIY-HIFRSBDPSA-N -1 0 337.847 3.765 20 0 EHADRM C[C@@H](Oc1cccc(C(=O)/C=C/c2cccc3cnccc23)c1)C(=O)[O-] ZINC000180931300 1124105301 /nfs/dbraw/zinc/10/53/01/1124105301.db2.gz RMFNREZRDRDLJS-MYSGNRETSA-N -1 0 347.370 3.983 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000263557544 1124452791 /nfs/dbraw/zinc/45/27/91/1124452791.db2.gz ZNLXQMQKORDYJZ-OAGGEKHMSA-N -1 0 335.831 3.895 20 0 EHADRM CC(C)[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(F)cc1F ZINC000263574625 1124639255 /nfs/dbraw/zinc/63/92/55/1124639255.db2.gz NTOMKSCQAWXXJK-OZVIIMIRSA-N -1 0 339.382 3.669 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)C[C@H](C)O1 ZINC000249639979 1124771478 /nfs/dbraw/zinc/77/14/78/1124771478.db2.gz XSCNOWDFTCYVMJ-PEGIJTEDSA-N -1 0 333.409 3.742 20 0 EHADRM O=C(c1nn(-c2ccccc2)cc1[O-])N1CC[C@H](C2CCCCC2)C1 ZINC000618184677 1125019713 /nfs/dbraw/zinc/01/97/13/1125019713.db2.gz CSYICGGVKVDVCA-INIZCTEOSA-N -1 0 339.439 3.620 20 0 EHADRM CCCCOc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c(C)c1 ZINC000618463685 1125087637 /nfs/dbraw/zinc/08/76/37/1125087637.db2.gz XMECORCXVJWJLP-HOTGVXAUSA-N -1 0 331.412 3.779 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)s1 ZINC000242952243 1125234821 /nfs/dbraw/zinc/23/48/21/1125234821.db2.gz HFQBDIOTWUOWMK-UHFFFAOYSA-N -1 0 336.482 3.712 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000619200701 1125314383 /nfs/dbraw/zinc/31/43/83/1125314383.db2.gz DAQSVRMHFZLOTK-NHYWBVRUSA-N -1 0 341.810 3.606 20 0 EHADRM CC(C)(C)c1nc(CN2CCc3c(cccc3C(=O)[O-])C2)cs1 ZINC000322354579 1125383675 /nfs/dbraw/zinc/38/36/75/1125383675.db2.gz FKPRLMYVYBZVPW-UHFFFAOYSA-N -1 0 330.453 3.697 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000261895429 1125389480 /nfs/dbraw/zinc/38/94/80/1125389480.db2.gz OGSYTAXXZAMZMK-NWDGAFQWSA-N -1 0 329.318 3.621 20 0 EHADRM Cc1ccc(C(=O)NNc2c(Cl)cc(F)cc2Cl)c(O)c1O ZINC000182968272 1125410393 /nfs/dbraw/zinc/41/03/93/1125410393.db2.gz LAASCMAYVCDUQB-UHFFFAOYSA-N -1 0 345.157 3.609 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(OC(F)(F)F)c2)c(F)c1 ZINC000478818779 1129273205 /nfs/dbraw/zinc/27/32/05/1129273205.db2.gz FISKTUIJKAFYHP-UHFFFAOYSA-N -1 0 343.232 3.675 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC2(c3ccccc3)CCCC2)c(F)c1 ZINC000478822189 1129274324 /nfs/dbraw/zinc/27/43/24/1129274324.db2.gz IURDZDIEEQMUSB-UHFFFAOYSA-N -1 0 327.355 3.723 20 0 EHADRM C[C@@H](CCCC(C)(C)O)Nc1cc(Br)cc(C(=O)[O-])c1 ZINC001168709520 1129305985 /nfs/dbraw/zinc/30/59/85/1129305985.db2.gz WONVJGYYBQAZPS-JTQLQIEISA-N -1 0 344.249 3.889 20 0 EHADRM CC(C)Cn1ncc(NC(=O)c2c([O-])cc(F)cc2F)c1C1CC1 ZINC000673383386 1129340176 /nfs/dbraw/zinc/34/01/76/1129340176.db2.gz XXLXRJWFTMUREX-UHFFFAOYSA-N -1 0 335.354 3.653 20 0 EHADRM CCOc1ccc(CN=c2[n-]nc(Cc3ccccc3)s2)cc1 ZINC000543209699 1129343240 /nfs/dbraw/zinc/34/32/40/1129343240.db2.gz RMOFZDYLTIBDPV-UHFFFAOYSA-N -1 0 325.437 3.562 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)c2ccccc2n1 ZINC000068297771 1129359632 /nfs/dbraw/zinc/35/96/32/1129359632.db2.gz SYVQJWWEIYCGKH-UHFFFAOYSA-N -1 0 346.346 3.551 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N[C@@H](C)c2cc3ccccc3o2)s1 ZINC000466369479 1129406945 /nfs/dbraw/zinc/40/69/45/1129406945.db2.gz BFEJXRSVAFUSNJ-NSHDSACASA-N -1 0 344.440 3.787 20 0 EHADRM CC(C)CCC[C@H](C)NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000198806397 1129423685 /nfs/dbraw/zinc/42/36/85/1129423685.db2.gz KFYWAWMTSMWEFP-LBPRGKRZSA-N -1 0 347.484 3.541 20 0 EHADRM C(Sc1n[n-]c(=NC2CC2)s1)[C@H]1CCC2(CCCCC2)O1 ZINC000466413505 1129431602 /nfs/dbraw/zinc/43/16/02/1129431602.db2.gz IGYNJTNESXNLJA-GFCCVEGCSA-N -1 0 325.503 3.508 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)N=c1ncn(C(C)(C)C)[n-]1)c1ccc(F)cc1 ZINC000543365976 1129438984 /nfs/dbraw/zinc/43/89/84/1129438984.db2.gz MZMXFLDJMXSCKR-AWEZNQCLSA-N -1 0 347.438 3.503 20 0 EHADRM CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000027923639 1129587484 /nfs/dbraw/zinc/58/74/84/1129587484.db2.gz BRFMITXLWOYJGY-UHFFFAOYSA-N -1 0 349.843 3.901 20 0 EHADRM C[C@@H]1c2ccsc2CCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000735875405 1131384700 /nfs/dbraw/zinc/38/47/00/1131384700.db2.gz BPIGKYBBZGEOHM-SECBINFHSA-N -1 0 330.434 3.938 20 0 EHADRM CSc1cccc(NS(=O)(=O)c2cccc(SC)c2)c1 ZINC000509103916 1129751732 /nfs/dbraw/zinc/75/17/32/1129751732.db2.gz SCABFUJDPOAPFA-UHFFFAOYSA-N -1 0 325.480 3.931 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)c2cc(C3CC3)[nH]c2C2CC2)s[n-]1 ZINC000625216744 1129765141 /nfs/dbraw/zinc/76/51/41/1129765141.db2.gz KNGNZCJYWYYQSC-UHFFFAOYSA-N -1 0 330.457 3.593 20 0 EHADRM COC(=O)c1cc(F)c(C)c(Nc2ccc(C(=O)[O-])c(F)c2F)c1 ZINC001212516095 1129928610 /nfs/dbraw/zinc/92/86/10/1129928610.db2.gz YSFLTGCOZXJDGI-UHFFFAOYSA-N -1 0 339.269 3.641 20 0 EHADRM CC1(C)Cc2c(Nc3ccc(C(=O)[O-])c(F)c3F)cccc2NC1=O ZINC001212516585 1129929934 /nfs/dbraw/zinc/92/99/34/1129929934.db2.gz HLECNPLIYKDKTG-UHFFFAOYSA-N -1 0 346.333 3.927 20 0 EHADRM O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1c([O-])cc(F)cc1F ZINC000674605943 1130144304 /nfs/dbraw/zinc/14/43/04/1130144304.db2.gz GAUWXCACTPNUME-BDAKNGLRSA-N -1 0 337.288 3.769 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000674650123 1130163396 /nfs/dbraw/zinc/16/33/96/1130163396.db2.gz DYPLOCGHROHLAI-ZIAGYGMSSA-N -1 0 341.329 3.787 20 0 EHADRM CCOc1c(F)cccc1Nc1cc(S(=O)(=O)[O-])ccc1Cl ZINC001212537700 1130323988 /nfs/dbraw/zinc/32/39/88/1130323988.db2.gz FHJBVUVMVBMWCF-UHFFFAOYSA-N -1 0 345.779 3.868 20 0 EHADRM Cc1c(NC(=O)C[C@@]2(C(=O)[O-])CCSC2)cccc1C(F)(F)F ZINC000675431706 1130368378 /nfs/dbraw/zinc/36/83/78/1130368378.db2.gz QUZDGLGDAYETSY-AWEZNQCLSA-N -1 0 347.358 3.550 20 0 EHADRM CCOc1cc(C(=O)Nc2ccc(C(C)=O)cc2)cc(Cl)c1[O-] ZINC000675531925 1130419805 /nfs/dbraw/zinc/41/98/05/1130419805.db2.gz GGVQHHXLUCUDFZ-UHFFFAOYSA-N -1 0 333.771 3.899 20 0 EHADRM O=C([O-])[C@@H](CC(=O)Nc1ccccc1OCC(F)F)c1ccccc1 ZINC000675546109 1130425563 /nfs/dbraw/zinc/42/55/63/1130425563.db2.gz MHTSIPLMMNXBLO-ZDUSSCGKSA-N -1 0 349.333 3.528 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)[C@H]1CCCc2ccccc21 ZINC000675947283 1130508270 /nfs/dbraw/zinc/50/82/70/1130508270.db2.gz NFYCWTGLRGYNAI-IBGZPJMESA-N -1 0 337.419 3.610 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)c1 ZINC000675968084 1130511848 /nfs/dbraw/zinc/51/18/48/1130511848.db2.gz LLFCZUXZXPZMKM-BQFCYCMXSA-N -1 0 345.439 3.566 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N(CCC(=O)[O-])CC2CC2)c1 ZINC000675969377 1130511983 /nfs/dbraw/zinc/51/19/83/1130511983.db2.gz BKKLLHBWSCNXHH-HNNXBMFYSA-N -1 0 347.455 3.599 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])c1csc2ccccc21 ZINC000730019345 1130667674 /nfs/dbraw/zinc/66/76/74/1130667674.db2.gz ISWQIYXSYQQZLL-UBHSHLNASA-N -1 0 329.421 3.746 20 0 EHADRM CC(C)(C)n1cc(NC(=O)c2c([O-])cc(Cl)cc2Cl)cn1 ZINC000175208778 1130702541 /nfs/dbraw/zinc/70/25/41/1130702541.db2.gz UZBXBSDVUIRRSL-UHFFFAOYSA-N -1 0 328.199 3.903 20 0 EHADRM CCOc1ccc(S([O-])=CC(=O)N[C@H](C)CCCC(C)C)cc1 ZINC000730940408 1130752095 /nfs/dbraw/zinc/75/20/95/1130752095.db2.gz BSPGXPMEEGCUEK-IQMFZBJNSA-N -1 0 339.501 3.524 20 0 EHADRM CCCCOc1cccc(NC(=O)c2n[n-]c3ccccc3c2=O)c1 ZINC000732276388 1130904807 /nfs/dbraw/zinc/90/48/07/1130904807.db2.gz IRGNSHDDMRNXMM-UHFFFAOYSA-N -1 0 337.379 3.767 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)c2n[n-]c3ccccc3c2=O)c(C)c1 ZINC000732269957 1130907703 /nfs/dbraw/zinc/90/77/03/1130907703.db2.gz XICDHHYLDDQLDH-AWEZNQCLSA-N -1 0 335.407 3.785 20 0 EHADRM CCC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000733676856 1131066307 /nfs/dbraw/zinc/06/63/07/1131066307.db2.gz ICRMUIJOHAHCDO-CQSZACIVSA-N -1 0 341.448 3.627 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000734080655 1131193836 /nfs/dbraw/zinc/19/38/36/1131193836.db2.gz UFNALXGBRRVBEU-NSHDSACASA-N -1 0 349.905 3.813 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)c2ccccc2OC2CCC2)cc1 ZINC000738558836 1131472676 /nfs/dbraw/zinc/47/26/76/1131472676.db2.gz MOWQQYIZQHUDDW-JLHYYAGUSA-N -1 0 337.375 3.968 20 0 EHADRM CS[C@@H]1CC[C@@H](NS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000742328101 1131706022 /nfs/dbraw/zinc/70/60/22/1131706022.db2.gz IIWFDKGSJPRQPE-RKDXNWHRSA-N -1 0 340.297 3.556 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H](C)C2)c1C ZINC000744013546 1132007464 /nfs/dbraw/zinc/00/74/64/1132007464.db2.gz WLOQAVUBXDUYTI-BDJLRTHQSA-N -1 0 337.485 3.551 20 0 EHADRM O=C(CCCC1CCCC1)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000744007489 1132007885 /nfs/dbraw/zinc/00/78/85/1132007885.db2.gz IZRBNRZFJCEPEY-UHFFFAOYSA-N -1 0 329.849 3.505 20 0 EHADRM CC(C)S(=O)(=O)[N-]C(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 ZINC000744078471 1132016617 /nfs/dbraw/zinc/01/66/17/1132016617.db2.gz MXTLRKABSQDXDX-UHFFFAOYSA-N -1 0 349.452 3.712 20 0 EHADRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C(C)(C)C1CCCCC1 ZINC000766323736 1132202420 /nfs/dbraw/zinc/20/24/20/1132202420.db2.gz XDMOQMUWUSVVGB-UHFFFAOYSA-N -1 0 347.484 3.962 20 0 EHADRM Cc1cc(C)c(Nc2cccc3cnccc32)c(S(=O)(=O)[O-])c1 ZINC001174137472 1132250273 /nfs/dbraw/zinc/25/02/73/1132250273.db2.gz AKSYSUUHQGBUIQ-UHFFFAOYSA-N -1 0 328.393 3.842 20 0 EHADRM O=S(=O)([O-])c1ccc2c(cccc2Nc2ccc3n[nH]cc3c2)c1 ZINC001174272546 1132307924 /nfs/dbraw/zinc/30/79/24/1132307924.db2.gz DQRYYEKIQFEEKD-UHFFFAOYSA-N -1 0 339.376 3.706 20 0 EHADRM COc1ccc(F)c(F)c1Nc1ccc(S(=O)(=O)[O-])cc1Cl ZINC001174425280 1132350186 /nfs/dbraw/zinc/35/01/86/1132350186.db2.gz NIXDYIXDFPMUFG-UHFFFAOYSA-N -1 0 349.742 3.617 20 0 EHADRM COc1ncc(Br)cc1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174495291 1132370697 /nfs/dbraw/zinc/37/06/97/1132370697.db2.gz PSJBIORGPVOJQZ-AATRIKPKSA-N -1 0 349.184 3.694 20 0 EHADRM C[C@H](CNC(=O)c1ccc2[n-]c(=S)oc2c1)c1ccc(F)cc1 ZINC000746161141 1132388738 /nfs/dbraw/zinc/38/87/38/1132388738.db2.gz DCZVJVYHKJDSIO-SNVBAGLBSA-N -1 0 330.384 3.789 20 0 EHADRM O=C(NCCCc1cccc(F)c1)c1ccc2[n-]c(=S)oc2c1 ZINC000746242961 1132396468 /nfs/dbraw/zinc/39/64/68/1132396468.db2.gz BBKIPSFAWKJTNT-UHFFFAOYSA-N -1 0 330.384 3.618 20 0 EHADRM Cn1ccc2ccc(Nc3ccc(Cl)cc3S(=O)(=O)[O-])cc21 ZINC001174517052 1132397481 /nfs/dbraw/zinc/39/74/81/1132397481.db2.gz PVXMOQFTRPCEAG-UHFFFAOYSA-N -1 0 336.800 3.822 20 0 EHADRM O=C(N[C@@H](Cc1ccccc1)C1CC1)c1ccc2[n-]c(=S)oc2c1 ZINC000746284993 1132397956 /nfs/dbraw/zinc/39/79/56/1132397956.db2.gz GLBPBFPYTHCNNH-INIZCTEOSA-N -1 0 338.432 3.868 20 0 EHADRM CC(C)(O)c1cncc(Nc2c(Cl)c(F)[n-]c(=O)c2Cl)c1 ZINC001174590242 1132409693 /nfs/dbraw/zinc/40/96/93/1132409693.db2.gz MNXYCFKTHFMLRX-UHFFFAOYSA-N -1 0 332.162 3.599 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc(N2CCCC2)c(OC)c1 ZINC001174675251 1132432767 /nfs/dbraw/zinc/43/27/67/1132432767.db2.gz KEQIGLITFLXYJO-UHFFFAOYSA-N -1 0 342.395 3.746 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cc(N)ccc1OC(F)(F)F ZINC001174675476 1132432976 /nfs/dbraw/zinc/43/29/76/1132432976.db2.gz LQOWDDSVILRWRA-UHFFFAOYSA-N -1 0 342.273 3.618 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1c(C)cnn1-c1ccccc1C ZINC001174674576 1132432979 /nfs/dbraw/zinc/43/29/79/1132432979.db2.gz BPELZHHECHEGOJ-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM COc1cc(Nc2ncc(Br)cc2C)ccc1C(=O)[O-] ZINC001174678690 1132433672 /nfs/dbraw/zinc/43/36/72/1132433672.db2.gz IWCPWIPQXXLLGP-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM COc1ccc(F)c(Nc2ccc(C(=O)[O-])cc2OC)c1Cl ZINC001174677436 1132434130 /nfs/dbraw/zinc/43/41/30/1132434130.db2.gz XJYMMXVKGUPIDW-UHFFFAOYSA-N -1 0 325.723 3.938 20 0 EHADRM COc1cc(Nc2ccc(-c3cnco3)c(OC)c2)ccc1C(=O)[O-] ZINC001174684929 1132435963 /nfs/dbraw/zinc/43/59/63/1132435963.db2.gz BNDQLWOYDJWKRO-UHFFFAOYSA-N -1 0 340.335 3.801 20 0 EHADRM COC(=O)c1ccc(C)c(Nc2ccc(C(=O)[O-])c(OC)c2)c1C ZINC001174687617 1132436611 /nfs/dbraw/zinc/43/66/11/1132436611.db2.gz ZOKQBXWCZVXGIT-UHFFFAOYSA-N -1 0 329.352 3.540 20 0 EHADRM COc1cc(Nc2ccc(O)cc2C(F)(F)F)ccc1C(=O)[O-] ZINC001174686397 1132436874 /nfs/dbraw/zinc/43/68/74/1132436874.db2.gz BHRLGVXXVAFNMR-UHFFFAOYSA-N -1 0 327.258 3.861 20 0 EHADRM CCOC(=O)c1sc(SC)nc1Nc1ccc(C(=O)[O-])s1 ZINC001174805353 1132478005 /nfs/dbraw/zinc/47/80/05/1132478005.db2.gz QMMLZZYUQDCMNX-UHFFFAOYSA-N -1 0 344.439 3.545 20 0 EHADRM COc1cc(Br)c(C)nc1Nc1ccc(C(=O)[O-])s1 ZINC001174806677 1132478151 /nfs/dbraw/zinc/47/81/51/1132478151.db2.gz BVRJIDWGGWCFEG-UHFFFAOYSA-N -1 0 343.202 3.664 20 0 EHADRM O=C([O-])c1ccc(Nc2cccc(C(=O)Nc3cccnc3)c2)s1 ZINC001174806393 1132478445 /nfs/dbraw/zinc/47/84/45/1132478445.db2.gz AXBMSGKUPDFYLX-UHFFFAOYSA-N -1 0 339.376 3.837 20 0 EHADRM C[C@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000192899238 1132478501 /nfs/dbraw/zinc/47/85/01/1132478501.db2.gz CQDVGAXKAZZYMR-MEDUHNTESA-N -1 0 349.789 3.915 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(N3CCOCC3)c(Cl)c2)s1 ZINC001174810140 1132480340 /nfs/dbraw/zinc/48/03/40/1132480340.db2.gz HSSXLIWYFPOUMA-UHFFFAOYSA-N -1 0 338.816 3.680 20 0 EHADRM COc1ccc2cc(C(=O)Nc3ccc(/C=C\C(=O)[O-])cc3)[nH]c2c1 ZINC000746352498 1132485782 /nfs/dbraw/zinc/48/57/82/1132485782.db2.gz MPXDJSYQBSMIHD-WTKPLQERSA-N -1 0 336.347 3.527 20 0 EHADRM Nc1ccc(S(=O)(=O)[N-]c2cccc3c4ccccc4oc32)cc1 ZINC001174856391 1132488764 /nfs/dbraw/zinc/48/87/64/1132488764.db2.gz UIRIZEKHVRBTRH-UHFFFAOYSA-N -1 0 338.388 3.969 20 0 EHADRM CCc1ccc(C(=O)CCC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000746355706 1132492777 /nfs/dbraw/zinc/49/27/77/1132492777.db2.gz AWEORRHOKLQLCI-UHFFFAOYSA-N -1 0 343.354 3.688 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1ccc(C)c(C(F)(F)F)c1 ZINC000054189167 1132501648 /nfs/dbraw/zinc/50/16/48/1132501648.db2.gz XTNXTVIUYACWQW-UHFFFAOYSA-N -1 0 345.342 3.823 20 0 EHADRM COCc1ccc(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)cc1 ZINC001174925135 1132507609 /nfs/dbraw/zinc/50/76/09/1132507609.db2.gz PFFFOVZHYJVOMB-UHFFFAOYSA-N -1 0 343.404 3.977 20 0 EHADRM COc1cc(F)c(Nc2cc(S(=O)(=O)[O-])ccc2Cl)cc1F ZINC001174931789 1132511007 /nfs/dbraw/zinc/51/10/07/1132511007.db2.gz YVAUZUZNLKLOMA-UHFFFAOYSA-N -1 0 349.742 3.617 20 0 EHADRM CCOC(=O)c1ccc(Nc2ccc(CC(=O)[O-])cc2)c(Cl)c1 ZINC001174953260 1132516234 /nfs/dbraw/zinc/51/62/34/1132516234.db2.gz MYQDODFWANFQCT-UHFFFAOYSA-N -1 0 333.771 3.887 20 0 EHADRM Cc1cc(N)c(Nc2ccc(CC(=O)[O-])cc2)c(Br)c1 ZINC001174953473 1132516780 /nfs/dbraw/zinc/51/67/80/1132516780.db2.gz SJXVURMKNSSHIN-UHFFFAOYSA-N -1 0 335.201 3.710 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000391827449 1132519940 /nfs/dbraw/zinc/51/99/40/1132519940.db2.gz CRRUADCFMNTCJX-LEWSCRJBSA-N -1 0 341.329 3.550 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)C[C@@H](C)CC(C)(C)C)c(C)s1 ZINC000746430220 1132526090 /nfs/dbraw/zinc/52/60/90/1132526090.db2.gz KRVSVRACUCUZJQ-SNVBAGLBSA-N -1 0 331.503 3.632 20 0 EHADRM Cc1noc(C2CC2)c1[N-]S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000766372356 1132526352 /nfs/dbraw/zinc/52/63/52/1132526352.db2.gz NFXIZWMAQZZOFJ-HJWRWDBZSA-N -1 0 338.816 3.926 20 0 EHADRM COc1ccc(-c2ccccn2)nc1Nc1cc(C(=O)[O-])ccc1C ZINC001174982385 1132535009 /nfs/dbraw/zinc/53/50/09/1132535009.db2.gz WMEULWONYZWQFX-UHFFFAOYSA-N -1 0 335.363 3.902 20 0 EHADRM CC(=O)N1CC2(CC2)c2ccc(Nc3cc(C(=O)[O-])ccc3C)cc21 ZINC001174982707 1132535418 /nfs/dbraw/zinc/53/54/18/1132535418.db2.gz UPYRJEPRPSFTEG-UHFFFAOYSA-N -1 0 336.391 3.835 20 0 EHADRM O=S(=O)([O-])c1cccc(Nc2cc(F)cc(C(F)(F)F)c2)c1 ZINC001175061635 1132538916 /nfs/dbraw/zinc/53/89/16/1132538916.db2.gz QAMVZJVMBSXXHR-UHFFFAOYSA-N -1 0 335.278 3.835 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2cc(F)cc(C(F)(F)F)c2)cc1 ZINC001175064165 1132540182 /nfs/dbraw/zinc/54/01/82/1132540182.db2.gz SRGWJFRBKRDNFX-UHFFFAOYSA-N -1 0 335.278 3.835 20 0 EHADRM COc1ccc(F)c(Nc2ccc(Cl)cc2S(=O)(=O)[O-])c1F ZINC001175119143 1132571697 /nfs/dbraw/zinc/57/16/97/1132571697.db2.gz IRJQHVNEVRGILS-UHFFFAOYSA-N -1 0 349.742 3.617 20 0 EHADRM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)[N-]Oc1ccccc1 ZINC000773468895 1132589565 /nfs/dbraw/zinc/58/95/65/1132589565.db2.gz VRFFLNOFWQKFEE-LLVKDONJSA-N -1 0 325.286 3.583 20 0 EHADRM O=C([O-])c1cc(Nc2ccc(Br)cc2O)ccc1F ZINC001175218461 1132598161 /nfs/dbraw/zinc/59/81/61/1132598161.db2.gz FCYPWYGUIQAORD-UHFFFAOYSA-N -1 0 326.121 3.736 20 0 EHADRM O=C([O-])c1cc(Nc2ccc(OC[C@H]3CCCO3)c(F)c2)ccc1F ZINC001175218781 1132598188 /nfs/dbraw/zinc/59/81/88/1132598188.db2.gz KXNHGYHFGBELMS-CYBMUJFWSA-N -1 0 349.333 3.964 20 0 EHADRM CN1C(=O)CC(C)(C)c2cc(Nc3ccc(F)c(C(=O)[O-])c3)ccc21 ZINC001175221362 1132598541 /nfs/dbraw/zinc/59/85/41/1132598541.db2.gz DVTAPVCXIVNCMH-UHFFFAOYSA-N -1 0 342.370 3.912 20 0 EHADRM CC(C)CNC(=O)c1cccc(Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC001175223491 1132599677 /nfs/dbraw/zinc/59/96/77/1132599677.db2.gz QJHYMGQVIQJKNU-UHFFFAOYSA-N -1 0 330.359 3.653 20 0 EHADRM CC(=O)N1CCCc2ccc(Nc3ccc(F)c(C(=O)[O-])c3)cc21 ZINC001175223361 1132600018 /nfs/dbraw/zinc/60/00/18/1132600018.db2.gz PDFSQJPJKONEPU-UHFFFAOYSA-N -1 0 328.343 3.567 20 0 EHADRM CSc1c(F)cccc1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001168913570 1132603415 /nfs/dbraw/zinc/60/34/15/1132603415.db2.gz DMBZZPUPEFEMQP-UHFFFAOYSA-N -1 0 343.383 3.691 20 0 EHADRM COc1c(Cl)ccc([N-]c2nnc(Br)s2)c1F ZINC001212582697 1132608269 /nfs/dbraw/zinc/60/82/69/1132608269.db2.gz VLBLMLFGUPJOGP-UHFFFAOYSA-N -1 0 338.589 3.845 20 0 EHADRM O=C([O-])c1ccc(Nc2ccccc2C(=O)NC2CC2)cc1Cl ZINC001175319184 1132637050 /nfs/dbraw/zinc/63/70/50/1132637050.db2.gz PPXFSFCNMISKMB-UHFFFAOYSA-N -1 0 330.771 3.674 20 0 EHADRM CC1(C)C(=O)NCc2c(Nc3ccc(C(=O)[O-])c(Cl)c3)cccc21 ZINC001175320633 1132637806 /nfs/dbraw/zinc/63/78/06/1132637806.db2.gz HSDJGJDIUQZDMM-UHFFFAOYSA-N -1 0 344.798 3.689 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc3c(c2)S(=O)(=O)C=C3)cc1Cl ZINC001175319927 1132637979 /nfs/dbraw/zinc/63/79/79/1132637979.db2.gz ITDFEQAJUQFXGH-UHFFFAOYSA-N -1 0 335.768 3.540 20 0 EHADRM CCN1Cc2ccc(Nc3ccc(C(=O)[O-])c(Cl)c3)cc2C1=O ZINC001175321056 1132638167 /nfs/dbraw/zinc/63/81/67/1132638167.db2.gz ZOBIONDCRZITJK-UHFFFAOYSA-N -1 0 330.771 3.758 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(F)ccc2OC2COC2)cc1Cl ZINC001175321103 1132638265 /nfs/dbraw/zinc/63/82/65/1132638265.db2.gz QTNDLBJKODYORX-UHFFFAOYSA-N -1 0 337.734 3.699 20 0 EHADRM CC1(C)Cc2cc(Nc3ccc(C(=O)[O-])c(Cl)c3)ccc2C(=O)N1 ZINC001175321098 1132638374 /nfs/dbraw/zinc/63/83/74/1132638374.db2.gz QNARIPJYICBDCZ-UHFFFAOYSA-N -1 0 344.798 3.846 20 0 EHADRM COc1cccc(Cn2nc(C)cc2Nc2cccc(C(=O)[O-])c2)c1 ZINC001175328648 1132639878 /nfs/dbraw/zinc/63/98/78/1132639878.db2.gz LQTFFFXXDWNIRP-UHFFFAOYSA-N -1 0 337.379 3.690 20 0 EHADRM CCOC(=O)c1noc([N-]c2cnc(OC)s2)c1-c1ccccc1 ZINC001175391015 1132657667 /nfs/dbraw/zinc/65/76/67/1132657667.db2.gz RUGYVPUWJMNAFW-UHFFFAOYSA-N -1 0 345.380 3.727 20 0 EHADRM C[C@H]1C[C@@H](Nc2cc(C(F)(F)F)c(C(=O)[O-])nn2)c2ccccc21 ZINC001169370538 1132735676 /nfs/dbraw/zinc/73/56/76/1132735676.db2.gz ARERGVRBVUPYSC-QPUJVOFHSA-N -1 0 337.301 3.854 20 0 EHADRM Cc1cc(Nc2cncc(C(=O)[O-])c2)c(Br)nc1Cl ZINC001175841155 1132773092 /nfs/dbraw/zinc/77/30/92/1132773092.db2.gz QVWFAYNJDLKOAX-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM COC(=O)c1ccc(-c2cccc(Nc3cncc(C(=O)[O-])c3)c2)o1 ZINC001175842308 1132773218 /nfs/dbraw/zinc/77/32/18/1132773218.db2.gz ZTKLEPWNJJUJKK-UHFFFAOYSA-N -1 0 338.319 3.570 20 0 EHADRM COc1c(C)cc(Nc2cncc(C(=O)[O-])c2)cc1Br ZINC001175842898 1132773634 /nfs/dbraw/zinc/77/36/34/1132773634.db2.gz TVUPEMBJBHNDDG-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM CCOc1cc(Br)ccc1Nc1cncc(C(=O)[O-])c1 ZINC001175843621 1132773829 /nfs/dbraw/zinc/77/38/29/1132773829.db2.gz VWOQQEJVSKITIJ-UHFFFAOYSA-N -1 0 337.173 3.685 20 0 EHADRM CC(C)(C)OC(=O)Nc1cccc(Nc2cncc(C(=O)[O-])c2)c1 ZINC001175842631 1132773836 /nfs/dbraw/zinc/77/38/36/1132773836.db2.gz BKUCCAIVINNUON-UHFFFAOYSA-N -1 0 329.356 3.870 20 0 EHADRM O=C(OCc1nnc(-c2ccccc2)s1)c1cc(F)c([O-])c(F)c1 ZINC000766738300 1132782281 /nfs/dbraw/zinc/78/22/81/1132782281.db2.gz XTWFUTDAARBJCD-UHFFFAOYSA-N -1 0 348.330 3.546 20 0 EHADRM CCOc1ccc2ccccc2c1[N-]S(=O)(=O)c1ccccc1N ZINC001175979355 1132805252 /nfs/dbraw/zinc/80/52/52/1132805252.db2.gz AGBBTTITYRKJGO-UHFFFAOYSA-N -1 0 342.420 3.622 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H](c2ccccc2)C(C)C)cc1 ZINC000103328708 1132824695 /nfs/dbraw/zinc/82/46/95/1132824695.db2.gz LPBRHBBOZQPNNK-GOSISDBHSA-N -1 0 345.464 3.630 20 0 EHADRM COc1ccc(C2(C(=O)Nc3ccc(C(=O)[O-])cc3)CCCC2)cc1 ZINC000766858808 1132875164 /nfs/dbraw/zinc/87/51/64/1132875164.db2.gz NSINMIQQURETMV-UHFFFAOYSA-N -1 0 339.391 3.844 20 0 EHADRM COc1cc(Cl)cc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])c1 ZINC001176344380 1132905166 /nfs/dbraw/zinc/90/51/66/1132905166.db2.gz HNENNAKJKNZJIZ-UHFFFAOYSA-N -1 0 348.207 3.992 20 0 EHADRM Fc1cc(F)c([N-]c2nnc(Br)s2)c(F)c1F ZINC001176347796 1132906273 /nfs/dbraw/zinc/90/62/73/1132906273.db2.gz ZRMHVGHSYIUPJW-UHFFFAOYSA-N -1 0 328.088 3.601 20 0 EHADRM COc1cccc(-n2ncc(C)c2Nc2csc(C(=O)[O-])c2)c1 ZINC001176435814 1132928812 /nfs/dbraw/zinc/92/88/12/1132928812.db2.gz HQTRIYFDGGJQPV-UHFFFAOYSA-N -1 0 329.381 3.693 20 0 EHADRM COc1cccc(Cn2nc(C)cc2Nc2csc(C(=O)[O-])c2)c1 ZINC001176437399 1132928981 /nfs/dbraw/zinc/92/89/81/1132928981.db2.gz YKKYIZWYPHIGHZ-UHFFFAOYSA-N -1 0 343.408 3.752 20 0 EHADRM Cc1c(Br)ccc(N)c1Nc1csc(C(=O)[O-])c1 ZINC001176439589 1132930060 /nfs/dbraw/zinc/93/00/60/1132930060.db2.gz UCAIISWBJGTAGL-UHFFFAOYSA-N -1 0 327.203 3.843 20 0 EHADRM COC(=O)c1cc(F)c(Cl)cc1Nc1csc(C(=O)[O-])c1 ZINC001176439941 1132930143 /nfs/dbraw/zinc/93/01/43/1132930143.db2.gz AURUIYSWQBCSAJ-UHFFFAOYSA-N -1 0 329.736 3.769 20 0 EHADRM O=C([O-])CN(C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)C1CCCCC1 ZINC000767026198 1132936469 /nfs/dbraw/zinc/93/64/69/1132936469.db2.gz WBKAVMJUTOHAMQ-HOTGVXAUSA-N -1 0 335.831 3.689 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 ZINC000767053570 1132943323 /nfs/dbraw/zinc/94/33/23/1132943323.db2.gz DNVSDDKICAYMTP-LJQANCHMSA-N -1 0 330.428 3.839 20 0 EHADRM O=C([O-])[C@H](CC(=O)NCC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000767086316 1132946745 /nfs/dbraw/zinc/94/67/45/1132946745.db2.gz QWQYTZXIVSOKPO-DIKOGFFKSA-N -1 0 341.451 3.578 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2ccc(F)nc2Br)cc1 ZINC001176588282 1132961387 /nfs/dbraw/zinc/96/13/87/1132961387.db2.gz ACCGHJJOTZVOJD-FPYGCLRLSA-N -1 0 337.148 3.825 20 0 EHADRM CC(C)c1cnn2cc(Nc3ccc(C4(C(=O)[O-])CC4)cc3)cnc12 ZINC001176587440 1132961453 /nfs/dbraw/zinc/96/14/53/1132961453.db2.gz ZOJRHICJQYCGDG-UHFFFAOYSA-N -1 0 336.395 3.713 20 0 EHADRM COC(=O)c1cccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1Cl ZINC001176588534 1132961579 /nfs/dbraw/zinc/96/15/79/1132961579.db2.gz OAQFXVVTODOYFM-UHFFFAOYSA-N -1 0 345.782 3.986 20 0 EHADRM COC(=O)c1cc(Cl)cc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1 ZINC001176589744 1132962906 /nfs/dbraw/zinc/96/29/06/1132962906.db2.gz YEBNUWMIIYMACI-UHFFFAOYSA-N -1 0 345.782 3.986 20 0 EHADRM COC(=O)c1cc(Nc2ccc(/C=C/C(=O)[O-])cc2)ccc1Cl ZINC001176595045 1132963101 /nfs/dbraw/zinc/96/31/01/1132963101.db2.gz AKHRZHVKSNJCNA-RUDMXATFSA-N -1 0 331.755 3.968 20 0 EHADRM COc1cccc(Cn2nccc2Nc2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC001176594645 1132963584 /nfs/dbraw/zinc/96/35/84/1132963584.db2.gz UUXMQVVPKSQCAY-JXMROGBWSA-N -1 0 349.390 3.781 20 0 EHADRM COc1nc(Br)ccc1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176591660 1132963616 /nfs/dbraw/zinc/96/36/16/1132963616.db2.gz NJDMRJHXRYYBMQ-RUDMXATFSA-N -1 0 349.184 3.694 20 0 EHADRM Nc1cc(Br)cc(Nc2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC001176596201 1132964172 /nfs/dbraw/zinc/96/41/72/1132964172.db2.gz ZQEJPFDMPCAFTM-ZZXKWVIFSA-N -1 0 333.185 3.873 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2cccc3c2CN(C2CC2)C3=O)cc1 ZINC001176597099 1132969658 /nfs/dbraw/zinc/96/96/58/1132969658.db2.gz MKNMFWFOTQEART-IZZDOVSWSA-N -1 0 334.375 3.646 20 0 EHADRM COC(=O)[C@H]1CCc2cc(Nc3ccc(/C=C/C(=O)[O-])cc3)ccc21 ZINC001176598436 1132976608 /nfs/dbraw/zinc/97/66/08/1132976608.db2.gz XFOWSSYKKIEYEW-BIPIYRQYSA-N -1 0 337.375 3.731 20 0 EHADRM Cc1nc(Nc2ccc(C(=O)[O-])cc2)nc(Cl)c1Br ZINC001176708278 1132994395 /nfs/dbraw/zinc/99/43/95/1132994395.db2.gz VNKRIWRXBHGWCF-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(OC[C@@H]3CCCO3)c(F)c2)cc1 ZINC001176712364 1132995326 /nfs/dbraw/zinc/99/53/26/1132995326.db2.gz SXHGYEJUKMAWGZ-HNNXBMFYSA-N -1 0 331.343 3.825 20 0 EHADRM CCC(CC)[C@H](C)C(=O)[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC000767550747 1133017297 /nfs/dbraw/zinc/01/72/97/1133017297.db2.gz PIOCSGVNSPHGQQ-NSHDSACASA-N -1 0 331.865 3.526 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)CC1CCCCCC1 ZINC000767567146 1133020483 /nfs/dbraw/zinc/02/04/83/1133020483.db2.gz GAODUKWKSTWOLV-UHFFFAOYSA-N -1 0 343.876 3.814 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)C[C@@H]1CCCC[C@@H]1C ZINC000767572583 1133021768 /nfs/dbraw/zinc/02/17/68/1133021768.db2.gz XOCLWTOFXJATSZ-AAEUAGOBSA-N -1 0 343.876 3.670 20 0 EHADRM O=C1NC(=O)C(=Cc2ccc(OCc3cccc(F)c3)cc2)S1 ZINC000767898587 1133068883 /nfs/dbraw/zinc/06/88/83/1133068883.db2.gz RXNBOHZJKSMIJJ-DHDCSXOGSA-N -1 0 329.352 3.729 20 0 EHADRM O=C(c1c([O-])cccc1Cl)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000768572243 1133157665 /nfs/dbraw/zinc/15/76/65/1133157665.db2.gz HDSKMJBMPVVFHG-JTQLQIEISA-N -1 0 327.767 3.766 20 0 EHADRM CC(=O)c1cc(F)c([O-])c(NC(=O)C(C)(C)c2ccc(F)cc2)c1 ZINC001178432878 1133163064 /nfs/dbraw/zinc/16/30/64/1133163064.db2.gz DQVIMOJSUULEPH-UHFFFAOYSA-N -1 0 333.334 3.789 20 0 EHADRM COc1ccc(C=CC(=O)Nc2ccc3[n-]c(=S)oc3c2)cc1 ZINC000769300202 1133257132 /nfs/dbraw/zinc/25/71/32/1133257132.db2.gz JSACITAJBWQCQT-WTKPLQERSA-N -1 0 326.377 3.777 20 0 EHADRM O=C(Nc1ccccc1C(=O)N1CCCC1)c1c([O-])cccc1Cl ZINC000769653601 1133325519 /nfs/dbraw/zinc/32/55/19/1133325519.db2.gz REIPKBOCGDYZNR-UHFFFAOYSA-N -1 0 344.798 3.534 20 0 EHADRM CCC/C(C)=C\C(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1C ZINC000769774563 1133339340 /nfs/dbraw/zinc/33/93/40/1133339340.db2.gz NFOOHTWJUQVPPK-KTKRTIGZSA-N -1 0 349.374 3.565 20 0 EHADRM C=CC(=O)Nc1cc(NC(=O)c2c([O-])cccc2Cl)ccc1F ZINC000769957760 1133365669 /nfs/dbraw/zinc/36/56/69/1133365669.db2.gz JMQOAPQHNZWJSM-UHFFFAOYSA-N -1 0 334.734 3.562 20 0 EHADRM CC(C)(C)c1coc(NC(=O)c2cnc3c(Cl)cccc3c2O)n1 ZINC001180596035 1133397285 /nfs/dbraw/zinc/39/72/85/1133397285.db2.gz HLFFISLWMQCRQS-UHFFFAOYSA-N -1 0 345.786 3.719 20 0 EHADRM CC(=O)c1cccc(O)c1NC(=O)Cn1ccc2ccc(Cl)cc21 ZINC001180973379 1133438413 /nfs/dbraw/zinc/43/84/13/1133438413.db2.gz JKVRGUZTGGNQFZ-UHFFFAOYSA-N -1 0 342.782 3.842 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(SC(F)F)nc2)c1 ZINC000771136229 1133516802 /nfs/dbraw/zinc/51/68/02/1133516802.db2.gz QNDYXBODPHNCHT-UHFFFAOYSA-N -1 0 348.371 3.645 20 0 EHADRM CC(C)[C@]1(C)C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000774237868 1133639579 /nfs/dbraw/zinc/63/95/79/1133639579.db2.gz ZCVFSNQIGHZPPK-BZNIZROVSA-N -1 0 343.514 3.533 20 0 EHADRM O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)c1cc(F)cc(Cl)c1[O-] ZINC001182551641 1133695649 /nfs/dbraw/zinc/69/56/49/1133695649.db2.gz GNTQTUSZRWWAPH-HZPDHXFCSA-N -1 0 349.789 3.835 20 0 EHADRM CC(C)C[C@H](C)NC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC001183059063 1133764427 /nfs/dbraw/zinc/76/44/27/1133764427.db2.gz YYTRAHYAWZCYCM-QMMMGPOBSA-N -1 0 334.641 3.973 20 0 EHADRM CCC1(CC)[C@H](NC(=O)c2cc(F)cc(Cl)c2[O-])[C@H](C)[C@@H]1OC ZINC001183093150 1133767339 /nfs/dbraw/zinc/76/73/39/1133767339.db2.gz LIWDTKQDHOCKSL-AMFBXLIHSA-N -1 0 343.826 3.754 20 0 EHADRM Cc1cc(C)cc(OC[C@H](C)NC(=O)Cc2ccc([S-])cc2)c1 ZINC001183186518 1133776490 /nfs/dbraw/zinc/77/64/90/1133776490.db2.gz DZKIRWRBBYMNSA-HNNXBMFYSA-N -1 0 329.465 3.718 20 0 EHADRM Cc1cc(NC(=O)Cc2ccc([S-])cc2)n(-c2ccccc2F)n1 ZINC001183186980 1133776582 /nfs/dbraw/zinc/77/65/82/1133776582.db2.gz YVPRNHLYDKHBKN-UHFFFAOYSA-N -1 0 341.411 3.790 20 0 EHADRM CC(C)CC1CCN(C(=O)c2nn(-c3cccc(F)c3)cc2[O-])CC1 ZINC000786330470 1133838093 /nfs/dbraw/zinc/83/80/93/1133838093.db2.gz LXHURPHRFWKGJD-UHFFFAOYSA-N -1 0 345.418 3.615 20 0 EHADRM CCS(=O)(=O)c1ccnc(-c2cc(Cl)c([O-])c(Cl)c2)c1 ZINC001242852428 1133843156 /nfs/dbraw/zinc/84/31/56/1133843156.db2.gz JWIKJKSQECVETP-UHFFFAOYSA-N -1 0 332.208 3.555 20 0 EHADRM CCC[C@H](C(=O)[N-]S(=O)(=O)c1ccccc1CC)c1ccccc1 ZINC000786661128 1133883115 /nfs/dbraw/zinc/88/31/15/1133883115.db2.gz YWWSWAHXJSLORJ-KRWDZBQOSA-N -1 0 345.464 3.638 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000786659853 1133883231 /nfs/dbraw/zinc/88/32/31/1133883231.db2.gz IPFKPHFTNRRSPW-YESZJQIVSA-N -1 0 349.496 3.660 20 0 EHADRM CN(C[C@@H]1CC1(C)C)C(=O)CCC(=O)C=C([O-])c1ccc(Cl)cc1 ZINC001184119993 1133901031 /nfs/dbraw/zinc/90/10/31/1133901031.db2.gz KEJLFHWHRFWHRN-AWEZNQCLSA-N -1 0 349.858 3.767 20 0 EHADRM CCCCc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001184697019 1133977110 /nfs/dbraw/zinc/97/71/10/1133977110.db2.gz NKCGGNMYCFFJHU-UHFFFAOYSA-N -1 0 347.436 3.837 20 0 EHADRM CCc1cc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c(C)cc1C ZINC001184703181 1133977689 /nfs/dbraw/zinc/97/76/89/1133977689.db2.gz KCAXAGQIMTXJHD-UHFFFAOYSA-N -1 0 347.436 3.673 20 0 EHADRM C[C@@H](CNC(=O)c1ccc([O-])c(Cl)c1)c1nc2ccccc2o1 ZINC000746701900 1134027258 /nfs/dbraw/zinc/02/72/58/1134027258.db2.gz OKRJHEHFYIERJX-JTQLQIEISA-N -1 0 330.771 3.720 20 0 EHADRM C[C@@H]1C[C@H]1c1ncc(C(=O)Nc2c(Cl)ccc([O-])c2Cl)cn1 ZINC001185141571 1134034906 /nfs/dbraw/zinc/03/49/06/1134034906.db2.gz MOBPCGIVZJWJAW-VXNVDRBHSA-N -1 0 338.194 3.865 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)cs1)c1ccc(-c2cnco2)cc1 ZINC001185195901 1134055959 /nfs/dbraw/zinc/05/59/59/1134055959.db2.gz TYWRSYVBDYXWOX-UHFFFAOYSA-N -1 0 340.813 3.857 20 0 EHADRM Cc1ccc(F)c(NC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001185267648 1134059516 /nfs/dbraw/zinc/05/95/16/1134059516.db2.gz IMDMJCFCIQZVFH-UHFFFAOYSA-N -1 0 326.331 3.669 20 0 EHADRM O=C(c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccsc2)cc1 ZINC001185384757 1134076559 /nfs/dbraw/zinc/07/65/59/1134076559.db2.gz XIXQARNFZRRJBT-UHFFFAOYSA-N -1 0 343.429 3.780 20 0 EHADRM Cc1cn2cccc([N-]S(=O)(=O)c3cc4ccccc4s3)c2n1 ZINC001185424893 1134082176 /nfs/dbraw/zinc/08/21/76/1134082176.db2.gz BZPVUQWPDQUDMA-UHFFFAOYSA-N -1 0 343.433 3.658 20 0 EHADRM O=S(=O)([N-]c1ncc(F)cc1Cl)c1cc2ccccc2s1 ZINC001185429471 1134084311 /nfs/dbraw/zinc/08/43/11/1134084311.db2.gz NODILWHNGMQFEH-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM O=C(C=C([O-])c1ccccc1Cl)N[C@@H](c1ncccc1F)C1CC1 ZINC001185444479 1134086835 /nfs/dbraw/zinc/08/68/35/1134086835.db2.gz VNCONBLRGDCMSI-QGZVFWFLSA-N -1 0 346.789 3.714 20 0 EHADRM Cc1cc(S(=O)(=O)Nc2cccc3cnccc32)ccc1Cl ZINC001185484257 1134095888 /nfs/dbraw/zinc/09/58/88/1134095888.db2.gz CYLLIRPDRVMUFU-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)Nc1nc(C)c(C)s1 ZINC000788320168 1134113720 /nfs/dbraw/zinc/11/37/20/1134113720.db2.gz MYBIOADFTQGUNY-AWEZNQCLSA-N -1 0 347.440 3.830 20 0 EHADRM CC(C)(C)Oc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2)c1 ZINC001185688256 1134120053 /nfs/dbraw/zinc/12/00/53/1134120053.db2.gz WFBHNMIBLBVGLG-UHFFFAOYSA-N -1 0 340.832 3.713 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2)cc1C(C)C ZINC001185686766 1134120090 /nfs/dbraw/zinc/12/00/90/1134120090.db2.gz BLPZJBOSMXTQLJ-UHFFFAOYSA-N -1 0 340.832 3.668 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])c1ccc(NC(=O)Nc2cccnc2)cc1 ZINC001185696068 1134121141 /nfs/dbraw/zinc/12/11/41/1134121141.db2.gz YDTNIOUYNFYREB-HNNXBMFYSA-N -1 0 327.384 3.940 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc2ccccc2cc1O ZINC001185829410 1134138112 /nfs/dbraw/zinc/13/81/12/1134138112.db2.gz QTRPVQOALBZZBQ-UHFFFAOYSA-N -1 0 331.368 3.794 20 0 EHADRM CC(C)C1(O)CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])C1 ZINC000788617276 1134152001 /nfs/dbraw/zinc/15/20/01/1134152001.db2.gz LMYLRCPGEDJPLA-UHFFFAOYSA-N -1 0 345.826 3.556 20 0 EHADRM COc1ccccc1O[C@@H]1CCCN(C(=O)c2cccc([S-])c2)C1 ZINC001186150057 1134175751 /nfs/dbraw/zinc/17/57/51/1134175751.db2.gz YOOLETBVUKEPJC-OAHLLOKOSA-N -1 0 343.448 3.668 20 0 EHADRM O=C(NCCc1cc(Br)cs1)c1cccc([S-])c1 ZINC001186167410 1134182075 /nfs/dbraw/zinc/18/20/75/1134182075.db2.gz PYRHMNNPEQEBJS-UHFFFAOYSA-N -1 0 342.283 3.772 20 0 EHADRM O=S(=O)([N-]c1csc2nccnc12)c1csc2ccccc12 ZINC001186454980 1134214844 /nfs/dbraw/zinc/21/48/44/1134214844.db2.gz MELTXTRZQOATSU-UHFFFAOYSA-N -1 0 347.446 3.707 20 0 EHADRM O=S(=O)(Nc1c(O)cc(F)cc1F)c1csc2ccccc21 ZINC001186493291 1134221846 /nfs/dbraw/zinc/22/18/46/1134221846.db2.gz HKEUYGJEHJFYHQ-UHFFFAOYSA-N -1 0 341.360 3.686 20 0 EHADRM CC(=O)Oc1ccc([N-]S(=O)(=O)c2csc3ccccc32)cc1 ZINC001186497678 1134222735 /nfs/dbraw/zinc/22/27/35/1134222735.db2.gz CTQRLEZVITVNKH-UHFFFAOYSA-N -1 0 347.417 3.627 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2csc3ccccc32)n(C2CCC2)n1 ZINC001186464392 1134225605 /nfs/dbraw/zinc/22/56/05/1134225605.db2.gz RRVLDPCRYYAJAZ-UHFFFAOYSA-N -1 0 347.465 3.932 20 0 EHADRM CCc1ncc(S(=O)(=O)N[C@@H](c2ccccc2C)C(C)C)s1 ZINC001186811777 1134261272 /nfs/dbraw/zinc/26/12/72/1134261272.db2.gz YRMGLMMLMPBXGD-MRXNPFEDSA-N -1 0 338.498 3.690 20 0 EHADRM O=C1CCc2ccc([N-]S(=O)(=O)c3cc4c(s3)CCCC4)cc21 ZINC001187206665 1134313791 /nfs/dbraw/zinc/31/37/91/1134313791.db2.gz HKHQESBEFKSKLA-UHFFFAOYSA-N -1 0 347.461 3.557 20 0 EHADRM O=S(=O)([N-]c1cc(F)c(F)c(F)c1)c1cc2c(s1)CCCC2 ZINC001187206467 1134313947 /nfs/dbraw/zinc/31/39/47/1134313947.db2.gz CJYVXOCUKPVFEV-UHFFFAOYSA-N -1 0 347.383 3.845 20 0 EHADRM O=S(=O)([N-]c1cccc(Cl)c1O)c1cc2c(s1)CCCC2 ZINC001187206763 1134314447 /nfs/dbraw/zinc/31/44/47/1134314447.db2.gz JGZMTOMZSIBAGC-UHFFFAOYSA-N -1 0 343.857 3.787 20 0 EHADRM O=S(=O)([N-]c1c(O)cccc1Cl)c1cc2c(s1)CCCC2 ZINC001187210593 1134315141 /nfs/dbraw/zinc/31/51/41/1134315141.db2.gz VMFCWXYOWDIFKU-UHFFFAOYSA-N -1 0 343.857 3.787 20 0 EHADRM Cc1oncc1S(=O)(=O)[N-]c1cccc(Oc2ccc(F)cc2)c1 ZINC001187380183 1134329654 /nfs/dbraw/zinc/32/96/54/1134329654.db2.gz WIFALMBRAGUKMM-UHFFFAOYSA-N -1 0 348.355 3.715 20 0 EHADRM Cc1cnc(C)c(Nc2ccc3ccccc3c2S(=O)(=O)[O-])c1 ZINC001203663437 1134345915 /nfs/dbraw/zinc/34/59/15/1134345915.db2.gz JYYYODXQRBXKLP-UHFFFAOYSA-N -1 0 328.393 3.842 20 0 EHADRM O=S(=O)([N-]c1cccc2ocnc21)c1cc(Cl)cc(Cl)c1 ZINC000790004933 1134358032 /nfs/dbraw/zinc/35/80/32/1134358032.db2.gz LCNRSPTYGBJLSV-UHFFFAOYSA-N -1 0 343.191 3.935 20 0 EHADRM CC(C)(Cc1ccc2ccccc2c1)NS(=O)(=O)c1nccs1 ZINC001187908976 1134396092 /nfs/dbraw/zinc/39/60/92/1134396092.db2.gz QRKBEPUTJBPUFI-UHFFFAOYSA-N -1 0 346.477 3.596 20 0 EHADRM O=S(=O)(/C=C/c1ccccc1Cl)[N-]c1nccc2ccncc21 ZINC000790644610 1134450646 /nfs/dbraw/zinc/45/06/46/1134450646.db2.gz RGHHKEKJPFUSOB-JXMROGBWSA-N -1 0 345.811 3.696 20 0 EHADRM Cc1cncc([N-]S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)c1 ZINC001188424200 1134461435 /nfs/dbraw/zinc/46/14/35/1134461435.db2.gz PLVDMLLRTAEPRV-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM O=C(NCc1cncc2ccccc21)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188598405 1134479989 /nfs/dbraw/zinc/47/99/89/1134479989.db2.gz CUWIEWLMUAFMLB-UHFFFAOYSA-N -1 0 346.308 3.889 20 0 EHADRM COC(=O)c1ccc(O)cc1NC(=O)Nc1ccc2ccccc2c1 ZINC001188614939 1134483163 /nfs/dbraw/zinc/48/31/63/1134483163.db2.gz BGHIYESUULPLJC-UHFFFAOYSA-N -1 0 336.347 3.976 20 0 EHADRM O=C(NCc1cccc2cc[nH]c21)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188587957 1134485719 /nfs/dbraw/zinc/48/57/19/1134485719.db2.gz DXSLIGNXMMFIMZ-UHFFFAOYSA-N -1 0 334.297 3.822 20 0 EHADRM O=C(OCc1ncc(-c2ccccc2F)o1)c1c(F)cc([O-])cc1F ZINC000746986867 1134516041 /nfs/dbraw/zinc/51/60/41/1134516041.db2.gz PYSBQRUFIZACIJ-UHFFFAOYSA-N -1 0 349.264 3.822 20 0 EHADRM CCCc1ccc(C(=O)COC(=O)c2c(F)cc([O-])cc2F)cc1 ZINC000746987833 1134517685 /nfs/dbraw/zinc/51/76/85/1134517685.db2.gz RKSDQFYEUMDRCB-UHFFFAOYSA-N -1 0 334.318 3.663 20 0 EHADRM C[C@@H](OC(=O)c1c(F)cc([O-])cc1F)c1nc(-c2ccccc2)no1 ZINC000746987864 1134518174 /nfs/dbraw/zinc/51/81/74/1134518174.db2.gz RSQLWZMSPSSRAR-SECBINFHSA-N -1 0 346.289 3.638 20 0 EHADRM O=S(=O)(CC1CC1)[N-]c1cc(-c2ccc(C(F)(F)F)cc2)no1 ZINC001188938591 1134522635 /nfs/dbraw/zinc/52/26/35/1134522635.db2.gz LPNZJEBIRXOIHY-UHFFFAOYSA-N -1 0 346.330 3.512 20 0 EHADRM Cc1c(F)cccc1NC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001189063174 1134539068 /nfs/dbraw/zinc/53/90/68/1134539068.db2.gz FCWABSAIJHHCOC-UHFFFAOYSA-N -1 0 326.331 3.669 20 0 EHADRM O=S(=O)(CCc1ccc(Cl)cc1)Nc1ccc([S-])cc1 ZINC001189103823 1134544653 /nfs/dbraw/zinc/54/46/53/1134544653.db2.gz MAPJUTQMPOIUPS-UHFFFAOYSA-N -1 0 327.858 3.613 20 0 EHADRM CC(=O)c1cccc(S(=O)(=O)[N-]c2nc3cc(C)ccc3s2)c1 ZINC001189191375 1134549956 /nfs/dbraw/zinc/54/99/56/1134549956.db2.gz GONHLSLSGFGTAN-UHFFFAOYSA-N -1 0 346.433 3.608 20 0 EHADRM CCc1ncsc1[N-]S(=O)(=O)c1ccc(F)c2ccccc21 ZINC001189364315 1134581342 /nfs/dbraw/zinc/58/13/42/1134581342.db2.gz QSWHNSZMSXYWPA-UHFFFAOYSA-N -1 0 336.413 3.799 20 0 EHADRM CC(C)Oc1ccccc1[N-]S(=O)(=O)Cc1cc(F)ccc1F ZINC001189686545 1134611418 /nfs/dbraw/zinc/61/14/18/1134611418.db2.gz IFLWVFRYODNSGU-UHFFFAOYSA-N -1 0 341.379 3.694 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)C2(CC(C)C)CCCC2)sc1C ZINC000775289013 1134618295 /nfs/dbraw/zinc/61/82/95/1134618295.db2.gz SVEYECIDBAVVBX-UHFFFAOYSA-N -1 0 343.514 3.776 20 0 EHADRM CC(C)(C)c1cc(Nc2ccc(C(=O)[O-])cc2F)c(C(N)=O)s1 ZINC001203286122 1134629681 /nfs/dbraw/zinc/62/96/81/1134629681.db2.gz IIDSPOPOGVCIQN-UHFFFAOYSA-N -1 0 336.388 3.725 20 0 EHADRM CC(C)Oc1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)c1 ZINC001190387871 1134689601 /nfs/dbraw/zinc/68/96/01/1134689601.db2.gz NKLGGOHDZDZZCA-UHFFFAOYSA-N -1 0 345.342 3.692 20 0 EHADRM Cc1cnn(-c2ccccc2F)c1Nc1ccc(C(=O)[O-])cc1F ZINC001203287476 1134690263 /nfs/dbraw/zinc/69/02/63/1134690263.db2.gz AOGVFYGMSKOPPC-UHFFFAOYSA-N -1 0 329.306 3.901 20 0 EHADRM Cc1ccc(Cl)cc1CNS(=O)(=O)c1cc(F)cc(F)c1F ZINC001190402602 1134691971 /nfs/dbraw/zinc/69/19/71/1134691971.db2.gz DXMUBQAMMFRSRU-UHFFFAOYSA-N -1 0 349.761 3.544 20 0 EHADRM CC[C@@H](NS(=O)(=O)c1cc(F)cc(F)c1F)c1ccccc1C ZINC001190413406 1134695939 /nfs/dbraw/zinc/69/59/39/1134695939.db2.gz SHVXKWUUPSBZQY-CQSZACIVSA-N -1 0 343.370 3.842 20 0 EHADRM Cc1cc(F)ccc1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000077899119 1134792777 /nfs/dbraw/zinc/79/27/77/1134792777.db2.gz HUPLHTVGGXKGFY-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(C)cc(Cl)n2)c1 ZINC001191150425 1134802542 /nfs/dbraw/zinc/80/25/42/1134802542.db2.gz DQICRUBTBBACQX-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM CCc1nccc(C)c1[N-]S(=O)(=O)c1cc(C(C)C)ccc1OC ZINC001191669952 1134897783 /nfs/dbraw/zinc/89/77/83/1134897783.db2.gz BBXDZRZWDYZQRS-UHFFFAOYSA-N -1 0 348.468 3.885 20 0 EHADRM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2ncc(F)s2)c1Cl ZINC001191728882 1134906249 /nfs/dbraw/zinc/90/62/49/1134906249.db2.gz MCNITQVRJSZDCE-UHFFFAOYSA-N -1 0 341.216 3.698 20 0 EHADRM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2cncc(F)c2)c1Cl ZINC001191729204 1134907034 /nfs/dbraw/zinc/90/70/34/1134907034.db2.gz YCHMYIUHJXRUAV-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM Cc1cc(NC(=O)Nc2ccc(S(=O)(=O)[O-])cc2)ccc1Cl ZINC001191770895 1134911460 /nfs/dbraw/zinc/91/14/60/1134911460.db2.gz BQYUWICDOMSALI-UHFFFAOYSA-N -1 0 340.788 3.539 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2ncsc2c1 ZINC001191780356 1134920455 /nfs/dbraw/zinc/92/04/55/1134920455.db2.gz PKMUOTPDNQWOFV-UHFFFAOYSA-N -1 0 348.449 3.804 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cncc2ccccc21 ZINC001191780987 1134920522 /nfs/dbraw/zinc/92/05/22/1134920522.db2.gz WZOXKJOGPOWFDY-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2ccn(C)c2c1 ZINC001191828236 1134932626 /nfs/dbraw/zinc/93/26/26/1134932626.db2.gz FGDBJDLBSXCMII-UHFFFAOYSA-N -1 0 344.436 3.686 20 0 EHADRM Nc1cc(Br)cc2c1ccn2-c1ccc(C(=O)[O-])cc1F ZINC001203293071 1135008135 /nfs/dbraw/zinc/00/81/35/1135008135.db2.gz RBDWUPYBRKOMFU-UHFFFAOYSA-N -1 0 349.159 3.813 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc3ccc(O)cc3c2)cnc1Cl ZINC001192570440 1135031725 /nfs/dbraw/zinc/03/17/25/1135031725.db2.gz HWIPGUBNFBIXCH-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM CCN(C(=O)c1c([O-])ccc(F)c1F)[C@@H](C)Cc1ccc(OC)cc1 ZINC001192717999 1135051624 /nfs/dbraw/zinc/05/16/24/1135051624.db2.gz OCVZHOCZNCAGOO-LBPRGKRZSA-N -1 0 349.377 3.772 20 0 EHADRM O=C(N[C@@H](c1ccccc1)c1ccncc1)c1c([O-])ccc(F)c1F ZINC001192769931 1135052870 /nfs/dbraw/zinc/05/28/70/1135052870.db2.gz PWJNKYBAUBOWJI-SFHVURJKSA-N -1 0 340.329 3.585 20 0 EHADRM CC(C)(C)c1cnc(C(=O)Nc2ccc3[n-]c(=S)sc3c2)cn1 ZINC001192792712 1135061328 /nfs/dbraw/zinc/06/13/28/1135061328.db2.gz ZDGQTHFTTMELFC-UHFFFAOYSA-N -1 0 344.465 3.925 20 0 EHADRM O=C(c1ccc([O-])c(F)c1F)N1CCC[C@@H]1c1ccc(F)cc1F ZINC001192839504 1135062958 /nfs/dbraw/zinc/06/29/58/1135062958.db2.gz IZQRUWTZEREHSF-CYBMUJFWSA-N -1 0 339.288 3.926 20 0 EHADRM CC(=O)Nc1ccc(NC(=O)c2ccc([O-])c(F)c2F)cc1Cl ZINC001192839778 1135063256 /nfs/dbraw/zinc/06/32/56/1135063256.db2.gz LHZCRDAKXLRPPR-UHFFFAOYSA-N -1 0 340.713 3.535 20 0 EHADRM C[C@@H](NC(=O)c1ccc([O-])c(F)c1F)c1cccc(Cl)c1F ZINC001192841710 1135064047 /nfs/dbraw/zinc/06/40/47/1135064047.db2.gz VBLOEVWOASRPNH-SSDOTTSWSA-N -1 0 329.705 3.954 20 0 EHADRM CC(C)(CNC(=O)c1ccc([O-])c(F)c1F)c1c[nH]c2ccccc21 ZINC001192848238 1135065066 /nfs/dbraw/zinc/06/50/66/1135065066.db2.gz CJFFCPWBXDNSNS-UHFFFAOYSA-N -1 0 344.361 3.859 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccccc2)cn1)c1cnccc1Cl ZINC001192855287 1135067009 /nfs/dbraw/zinc/06/70/09/1135067009.db2.gz DWVVSEXXNALBEF-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM CC(C)(C)Oc1cccc([N-]S(=O)(=O)c2cnccc2Cl)c1 ZINC001192902909 1135070194 /nfs/dbraw/zinc/07/01/94/1135070194.db2.gz WKTPRHAAADAWBT-UHFFFAOYSA-N -1 0 340.832 3.713 20 0 EHADRM Cc1ccccc1-c1cc(NC(=O)c2ccc(F)c([O-])c2F)n(C)n1 ZINC001193767981 1135184936 /nfs/dbraw/zinc/18/49/36/1135184936.db2.gz CAJPNQWIHARSSX-UHFFFAOYSA-N -1 0 343.333 3.632 20 0 EHADRM CCc1ncsc1[N-]S(=O)(=O)c1ccc(C)c2ccccc21 ZINC001193843506 1135185687 /nfs/dbraw/zinc/18/56/87/1135185687.db2.gz ZGMITWZMXHHGJT-UHFFFAOYSA-N -1 0 332.450 3.968 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nnc(C(C)(C)C)o2)c2ccccc12 ZINC001193833875 1135190992 /nfs/dbraw/zinc/19/09/92/1135190992.db2.gz QJYADGAYYOSDAV-UHFFFAOYSA-N -1 0 345.424 3.630 20 0 EHADRM CC(C)(C)CS(=O)(=O)[N-][C@@H](c1cccc(Cl)c1)C(F)F ZINC001194052759 1135222351 /nfs/dbraw/zinc/22/23/51/1135222351.db2.gz HIVJKYURDFJCDN-NSHDSACASA-N -1 0 325.808 3.612 20 0 EHADRM C=Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)c1 ZINC001194303252 1135254355 /nfs/dbraw/zinc/25/43/55/1135254355.db2.gz AGMSEFZOVJGGCD-UHFFFAOYSA-N -1 0 328.315 3.544 20 0 EHADRM O=S(=O)([N-]c1ccc(C2CC2)cc1)c1ccc(C(F)(F)F)cn1 ZINC001194301351 1135254899 /nfs/dbraw/zinc/25/48/99/1135254899.db2.gz DFADTEKYCFUKMH-UHFFFAOYSA-N -1 0 342.342 3.779 20 0 EHADRM COc1cccc2cc([N-]S(=O)(=O)c3c(C)cccc3C)cnc21 ZINC001194609803 1135286063 /nfs/dbraw/zinc/28/60/63/1135286063.db2.gz KOOMCAAFMYMUHI-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM Cc1c(C)c([N-]S(=O)(=O)c2ncccc2C(F)(F)F)ccc1F ZINC001194570993 1135286929 /nfs/dbraw/zinc/28/69/29/1135286929.db2.gz GKOCBOYJKZFXCZ-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1O ZINC001194638708 1135295318 /nfs/dbraw/zinc/29/53/18/1135295318.db2.gz MDIGHUCQKWUAJI-UHFFFAOYSA-N -1 0 345.342 3.829 20 0 EHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1c(O)ccc2ccccc21 ZINC001194637537 1135295736 /nfs/dbraw/zinc/29/57/36/1135295736.db2.gz AQYBAUNGFXINDO-UHFFFAOYSA-N -1 0 327.405 3.963 20 0 EHADRM Cc1cccc2cccc([N-]S(=O)(=O)c3cccc4nccnc43)c12 ZINC001194988796 1135350931 /nfs/dbraw/zinc/35/09/31/1135350931.db2.gz YVKYGHBNKHJZIX-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM C[Si](C)(C)CCS(=O)(=O)[N-]c1cc(-c2cccc(F)c2)no1 ZINC001195042100 1135358092 /nfs/dbraw/zinc/35/80/92/1135358092.db2.gz RGTTVBUCZAGYKU-UHFFFAOYSA-N -1 0 342.468 3.561 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cccc(C(C)C)c2)n(CC2CCC2)n1 ZINC001195120689 1135372624 /nfs/dbraw/zinc/37/26/24/1135372624.db2.gz OBPZZPHMBWGJKK-UHFFFAOYSA-N -1 0 347.484 3.916 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2nccc3cnccc32)c1 ZINC001195120955 1135373351 /nfs/dbraw/zinc/37/33/51/1135373351.db2.gz YBZZPAKFKRHGBA-UHFFFAOYSA-N -1 0 327.409 3.554 20 0 EHADRM C[C@H]1c2ccccc2CCN1C(=O)c1c([O-])c(F)c(F)c(F)c1F ZINC001195277554 1135404600 /nfs/dbraw/zinc/40/46/00/1135404600.db2.gz FEIBAHOBWSHGQM-QMMMGPOBSA-N -1 0 339.288 3.708 20 0 EHADRM Cc1c(C)c(NC(=O)c2c([O-])c(F)c(F)c(F)c2F)ccc1O ZINC001195295386 1135407839 /nfs/dbraw/zinc/40/78/39/1135407839.db2.gz JQFGVIGREJWMNE-UHFFFAOYSA-N -1 0 329.249 3.523 20 0 EHADRM O=C(NC(=S)Nc1c(Cl)ccc([O-])c1Cl)c1ccccc1 ZINC001195415766 1135420576 /nfs/dbraw/zinc/42/05/76/1135420576.db2.gz NGMNBDHEUWBHNV-UHFFFAOYSA-N -1 0 341.219 3.826 20 0 EHADRM COc1cccc(C[C@H]2CCCN2C(=O)c2cccc(Cl)c2[O-])c1 ZINC000775665830 1135444067 /nfs/dbraw/zinc/44/40/67/1135444067.db2.gz LGCCXPOCJPPACP-CQSZACIVSA-N -1 0 345.826 3.902 20 0 EHADRM O=C(Nc1ccc(N2CCCCC2)cn1)c1cccc(Cl)c1[O-] ZINC000775669064 1135456748 /nfs/dbraw/zinc/45/67/48/1135456748.db2.gz DHRTXOSKVLAORS-UHFFFAOYSA-N -1 0 331.803 3.683 20 0 EHADRM O=C([N-]O[C@H]1CCCCO1)C1(Cc2cccc(F)c2)CCCCC1 ZINC000806722682 1135483994 /nfs/dbraw/zinc/48/39/94/1135483994.db2.gz NFZHVDJRHSSOOD-KRWDZBQOSA-N -1 0 335.419 3.893 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)cc1C ZINC000775678442 1135503475 /nfs/dbraw/zinc/50/34/75/1135503475.db2.gz DJYWATCIQLDEEU-CYBMUJFWSA-N -1 0 345.468 3.892 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(C)c3ccccc3n2)c(F)c1 ZINC001196346635 1135549539 /nfs/dbraw/zinc/54/95/39/1135549539.db2.gz CBRNPXUEPMAIEC-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2cccnc2)c(F)c1 ZINC001196386551 1135553667 /nfs/dbraw/zinc/55/36/67/1135553667.db2.gz CTJSGJXPQKQZBR-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM Cc1cnc([N-]S(=O)(=O)c2ccc3cc(Cl)ccc3c2)nc1C ZINC001196411625 1135560134 /nfs/dbraw/zinc/56/01/34/1135560134.db2.gz CRKZXLSGDCIYCQ-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM O=C(N[C@@H](c1ncccc1F)C1CC1)c1cc(Cl)c(F)cc1[O-] ZINC001196478119 1135565854 /nfs/dbraw/zinc/56/58/54/1135565854.db2.gz OGHQNRWCOQTUOY-CQSZACIVSA-N -1 0 338.741 3.600 20 0 EHADRM CC[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(F)cc1)c1ccc(C)cc1 ZINC000121453235 1135585162 /nfs/dbraw/zinc/58/51/62/1135585162.db2.gz SGXYQNQXXMRGOJ-CQSZACIVSA-N -1 0 349.427 3.523 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1C[C@@H]2CCCN2c2ccccc21 ZINC000775734752 1135590732 /nfs/dbraw/zinc/59/07/32/1135590732.db2.gz ZAHCYWRFIGCSKX-LBPRGKRZSA-N -1 0 328.799 3.675 20 0 EHADRM O=c1[n-]c(F)c(Cl)c(Nc2cnn(C3CCOCC3)c2)c1Cl ZINC001203860171 1135613227 /nfs/dbraw/zinc/61/32/27/1135613227.db2.gz QCLWIHVUJXLKRH-UHFFFAOYSA-N -1 0 347.177 3.525 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2csc3ncccc23)c(C)c1 ZINC001196846760 1135618191 /nfs/dbraw/zinc/61/81/91/1135618191.db2.gz UTRZUTMTDVGCEK-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM C[C@@H]1c2ccccc2CCN1C(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197075579 1135647435 /nfs/dbraw/zinc/64/74/35/1135647435.db2.gz MVEMDSGNTWJOOT-GFCCVEGCSA-N -1 0 326.421 3.701 20 0 EHADRM CCN(Cc1cccc(F)c1)C(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197102530 1135650100 /nfs/dbraw/zinc/65/01/00/1135650100.db2.gz CPUPQFUUUGRHPM-UHFFFAOYSA-N -1 0 332.400 3.743 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N2CCSc3ccccc3C2)cc1 ZINC001197105203 1135650180 /nfs/dbraw/zinc/65/01/80/1135650180.db2.gz MDPJFUICRVNYMP-UHFFFAOYSA-N -1 0 344.461 3.690 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2cc(F)cc3cccnc32)cc1 ZINC001197112650 1135650817 /nfs/dbraw/zinc/65/08/17/1135650817.db2.gz VQDUFYZQKLRTMU-UHFFFAOYSA-N -1 0 341.367 3.881 20 0 EHADRM CC(=O)c1cc(F)ccc1NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197112242 1135650825 /nfs/dbraw/zinc/65/08/25/1135650825.db2.gz QKVHIJJTIXBOCT-UHFFFAOYSA-N -1 0 332.356 3.535 20 0 EHADRM Cc1cc(Br)ncc1NC(=O)c1cccc(Cl)c1[O-] ZINC000775766521 1135668738 /nfs/dbraw/zinc/66/87/38/1135668738.db2.gz YRGCJNGMEYMDAF-UHFFFAOYSA-N -1 0 341.592 3.764 20 0 EHADRM [O-]c1cc(F)cc(F)c1NC(=S)NCc1ccc(Cl)cc1 ZINC001197580623 1135702683 /nfs/dbraw/zinc/70/26/83/1135702683.db2.gz GYIZKHPAOZYKHH-UHFFFAOYSA-N -1 0 328.771 3.810 20 0 EHADRM [O-]c1c(F)c(F)ccc1NC(=S)NCc1ccc(Cl)cc1 ZINC001197582178 1135709890 /nfs/dbraw/zinc/70/98/90/1135709890.db2.gz WADZSMNPEANHDW-UHFFFAOYSA-N -1 0 328.771 3.810 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N(Cc1ccco1)Cc1cccnc1 ZINC000775784033 1135723882 /nfs/dbraw/zinc/72/38/82/1135723882.db2.gz BJWHKNWHFMOFHL-UHFFFAOYSA-N -1 0 342.782 3.876 20 0 EHADRM CC(C)CN(C)C(=O)N(C)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000797429574 1135765717 /nfs/dbraw/zinc/76/57/17/1135765717.db2.gz XCBBHJPHHUBJSZ-ZDUSSCGKSA-N -1 0 347.242 3.759 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cccs3)cc2)cn1 ZINC001198304999 1135797670 /nfs/dbraw/zinc/79/76/70/1135797670.db2.gz AQYNUXUMMCCUSB-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM C[C@@H]1CCc2c(C(=O)Nc3c(Cl)ccc([O-])c3Cl)n[nH]c21 ZINC001198453999 1135816607 /nfs/dbraw/zinc/81/66/07/1135816607.db2.gz QOWRMFJXOHBLOB-ZCFIWIBFSA-N -1 0 326.183 3.724 20 0 EHADRM O=C(Nc1nc2c(cc(Cl)cc2Cl)[nH]1)c1cccc(F)c1[O-] ZINC001131670170 1135823911 /nfs/dbraw/zinc/82/39/11/1135823911.db2.gz DHBOHRPDYVNMRT-UHFFFAOYSA-N -1 0 340.141 3.967 20 0 EHADRM CC[C@@H](C)c1ccc(NS(=O)(=O)c2ccccc2C(=O)[O-])cc1 ZINC001198730011 1135849131 /nfs/dbraw/zinc/84/91/31/1135849131.db2.gz DUOCTTRZHWXMFA-GFCCVEGCSA-N -1 0 333.409 3.699 20 0 EHADRM O=S(=O)([N-]c1ccccc1OC(F)F)c1ccc2occc2c1 ZINC001198861934 1135862749 /nfs/dbraw/zinc/86/27/49/1135862749.db2.gz NOOAXHRCPPNOBJ-UHFFFAOYSA-N -1 0 339.319 3.835 20 0 EHADRM O=S(=O)([N-]c1cccc2ncc(F)cc12)c1ccc2occc2c1 ZINC001198869119 1135864567 /nfs/dbraw/zinc/86/45/67/1135864567.db2.gz QDJASUWSRNTATA-UHFFFAOYSA-N -1 0 342.351 3.921 20 0 EHADRM COc1cc(C)c(NS(=O)(=O)c2ccc3occc3c2)cc1C ZINC001198870705 1135864638 /nfs/dbraw/zinc/86/46/38/1135864638.db2.gz REZXZFMRXJGQJA-UHFFFAOYSA-N -1 0 331.393 3.859 20 0 EHADRM Cc1ccccc1-n1nccc1Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203321298 1135906316 /nfs/dbraw/zinc/90/63/16/1135906316.db2.gz BALDBXHAZRLHNY-UHFFFAOYSA-N -1 0 329.306 3.901 20 0 EHADRM CN1CCN(C(=O)c2cccc(Cl)c2[O-])c2ccc(Cl)cc21 ZINC001131990363 1135908395 /nfs/dbraw/zinc/90/83/95/1135908395.db2.gz JAVYSVJTVNPWHA-UHFFFAOYSA-N -1 0 337.206 3.796 20 0 EHADRM CCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000776074717 1135948895 /nfs/dbraw/zinc/94/88/95/1135948895.db2.gz MZMJJNDXJHUGRE-AWEZNQCLSA-N -1 0 337.485 3.587 20 0 EHADRM COc1ccc(NC(=S)Nc2c(O)cccc2Cl)c(OC)c1 ZINC001200974542 1135970084 /nfs/dbraw/zinc/97/00/84/1135970084.db2.gz MOFSWKZMPCYEKD-UHFFFAOYSA-N -1 0 338.816 3.872 20 0 EHADRM C[S@@](=O)c1cccc(NCc2cccc(O)c2Br)c1 ZINC001201265302 1136002215 /nfs/dbraw/zinc/00/22/15/1136002215.db2.gz SZJSFAOZFFUMPQ-LJQANCHMSA-N -1 0 340.242 3.504 20 0 EHADRM Cc1c(Cl)nccc1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000811835631 1136143260 /nfs/dbraw/zinc/14/32/60/1136143260.db2.gz GBHQWBYSPQPHAT-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CCc1nc2cc(NC(=O)c3cc(C(=O)[O-])ccc3Cl)ccc2o1 ZINC000811816008 1136144839 /nfs/dbraw/zinc/14/48/39/1136144839.db2.gz IHZVUFMXXKMDMJ-UHFFFAOYSA-N -1 0 344.754 3.994 20 0 EHADRM Cc1ccc(NC(=O)Nc2cc(S(=O)(=O)[O-])ccc2Cl)cc1 ZINC001202434202 1136147992 /nfs/dbraw/zinc/14/79/92/1136147992.db2.gz JZTZULWVGUXFDS-UHFFFAOYSA-N -1 0 340.788 3.539 20 0 EHADRM CO[N-]C(=O)[C@@H](Sc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000106737354 1136152157 /nfs/dbraw/zinc/15/21/57/1136152157.db2.gz CBUNUPMKPKAKQV-AWEZNQCLSA-N -1 0 325.792 3.990 20 0 EHADRM O=C(Cn1c2ccccc2nc1C1CCCCC1)[N-]OC1CCC1 ZINC000812790640 1136247624 /nfs/dbraw/zinc/24/76/24/1136247624.db2.gz BSUADEPMAPBXQY-UHFFFAOYSA-N -1 0 327.428 3.684 20 0 EHADRM COC(=O)c1cncc(-c2cc(C(=O)[O-])c(Cl)cc2Cl)c1 ZINC001245001028 1136315832 /nfs/dbraw/zinc/31/58/32/1136315832.db2.gz IGDIVAQMXDQMMU-UHFFFAOYSA-N -1 0 326.135 3.540 20 0 EHADRM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](C)C1 ZINC000776509858 1136328416 /nfs/dbraw/zinc/32/84/16/1136328416.db2.gz GNJYKUQDIDHIJY-OCCSQVGLSA-N -1 0 337.485 3.534 20 0 EHADRM CCCC[C@@](C)(F)C(=O)[N-]S(=O)(=O)c1csc2ccccc21 ZINC000851019171 1136328792 /nfs/dbraw/zinc/32/87/92/1136328792.db2.gz YPENMPYWAXAWTM-OAHLLOKOSA-N -1 0 343.445 3.625 20 0 EHADRM CCCC[C@](C)(F)C(=O)[N-]S(=O)(=O)[C@H](CC)c1ccccc1 ZINC000851043005 1136331736 /nfs/dbraw/zinc/33/17/36/1136331736.db2.gz BBDCLUIJSHSINS-ZBFHGGJFSA-N -1 0 329.437 3.502 20 0 EHADRM CCOC(=O)c1[n-]c(NC(=O)CC2(C)CCCCC2)nc1Cl ZINC001133885397 1136354910 /nfs/dbraw/zinc/35/49/10/1136354910.db2.gz KZYAKEMLBPAAFB-UHFFFAOYSA-N -1 0 327.812 3.539 20 0 EHADRM C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)CSc1n[n-]c(=S)s1 ZINC000813783549 1136361648 /nfs/dbraw/zinc/36/16/48/1136361648.db2.gz CCRWMFVSHBARDQ-VHSXEESVSA-N -1 0 345.559 3.592 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H](C)c1cccc(F)c1 ZINC000814015797 1136386472 /nfs/dbraw/zinc/38/64/72/1136386472.db2.gz ZWJDBCLIAXYENZ-SUMWQHHRSA-N -1 0 349.427 3.527 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@H](C)c1ccccc1 ZINC000814017584 1136386493 /nfs/dbraw/zinc/38/64/93/1136386493.db2.gz ZQWNERGKPVRZJZ-YJBOKZPZSA-N -1 0 345.464 3.778 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@H]1CCCC[C@@H]1C ZINC000814016401 1136386556 /nfs/dbraw/zinc/38/65/56/1136386556.db2.gz PAAVVSISQBPJRA-USXIJHARSA-N -1 0 337.485 3.800 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C1CCCCCCC1 ZINC000814015588 1136386802 /nfs/dbraw/zinc/38/68/02/1136386802.db2.gz GQDSKDYUPZMMFK-KRWDZBQOSA-N -1 0 337.485 3.944 20 0 EHADRM CCCCS[C@@H](C)C(=O)[N-]S(=O)(=O)[C@@H](CC)c1ccccc1 ZINC000814020953 1136386964 /nfs/dbraw/zinc/38/69/64/1136386964.db2.gz GCEPWUHSNBCEGP-ZFWWWQNUSA-N -1 0 343.514 3.506 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)c2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC000851593909 1136395035 /nfs/dbraw/zinc/39/50/35/1136395035.db2.gz DOBMFSKDYIHDJE-PXUDHTSWSA-N -1 0 325.364 3.663 20 0 EHADRM CC1(C)C[C@@H](NC(=O)c2ccc(/C=C\C(=O)[O-])o2)c2ccccc21 ZINC000851608057 1136396044 /nfs/dbraw/zinc/39/60/44/1136396044.db2.gz YLBMBVDZKOSECV-WKTRQSJXSA-N -1 0 325.364 3.530 20 0 EHADRM C/C(=C\C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000851617986 1136396284 /nfs/dbraw/zinc/39/62/84/1136396284.db2.gz GZACOQKRCWXLGM-WMLIUMLHSA-N -1 0 327.424 3.582 20 0 EHADRM O=C([O-])C[C@H](CNC(=O)c1ccc(SC(F)(F)F)cc1)C1CC1 ZINC000851621254 1136396499 /nfs/dbraw/zinc/39/64/99/1136396499.db2.gz ZMFOTLTUXDVQRX-LLVKDONJSA-N -1 0 347.358 3.529 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N2CCC[C@@H](C3CCCCC3)C2)o1 ZINC000851625212 1136396593 /nfs/dbraw/zinc/39/65/93/1136396593.db2.gz UKCBTECTYPHUJG-ZHUYAKLQSA-N -1 0 331.412 3.810 20 0 EHADRM C[C@@H](Sc1ccc(Br)cc1)C(=O)[N-]OC1CCCC1 ZINC000774867226 1136418078 /nfs/dbraw/zinc/41/80/78/1136418078.db2.gz FZBQXKMFYOOWAI-SNVBAGLBSA-N -1 0 344.274 3.920 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2c2ccccc2)C1 ZINC000852942904 1136493839 /nfs/dbraw/zinc/49/38/39/1136493839.db2.gz NZOXCWZLXZXDOT-CGTJXYLNSA-N -1 0 329.440 3.674 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000776631618 1136494287 /nfs/dbraw/zinc/49/42/87/1136494287.db2.gz NPIBJWOAKKLXPY-OJNOIJSXSA-N -1 0 331.412 3.851 20 0 EHADRM CC1(C)CN(C(=O)c2ccc3oc(=S)[n-]c3c2)[C@H]1c1cccnc1 ZINC000852966621 1136494695 /nfs/dbraw/zinc/49/46/95/1136494695.db2.gz YIJGIXPSFXMLKI-HNNXBMFYSA-N -1 0 339.420 3.735 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCCc1ccccc1)c1ccc(F)cc1F ZINC000776654415 1136523620 /nfs/dbraw/zinc/52/36/20/1136523620.db2.gz NVKVOLJUCIRHSO-QGZVFWFLSA-N -1 0 347.361 3.620 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cccc(Cl)c1)c1ccc(F)cc1F ZINC000776657284 1136526684 /nfs/dbraw/zinc/52/66/84/1136526684.db2.gz CFLYLRONBNCWQI-CQSZACIVSA-N -1 0 339.725 3.564 20 0 EHADRM Cc1cccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2F)c1C ZINC000776656697 1136526839 /nfs/dbraw/zinc/52/68/39/1136526839.db2.gz GYVBPUVJCWLYAN-MRXNPFEDSA-N -1 0 333.334 3.527 20 0 EHADRM Cc1cccc(CCC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2F)c1 ZINC000776660134 1136528663 /nfs/dbraw/zinc/52/86/63/1136528663.db2.gz KGBVMURPNIWPGW-KRWDZBQOSA-N -1 0 347.361 3.538 20 0 EHADRM O=C(NC[C@@H]1CCCC(F)(F)C1)c1ccc2oc(=S)[n-]c2c1 ZINC000854345093 1136609434 /nfs/dbraw/zinc/60/94/34/1136609434.db2.gz SOPDBNURYPUBNW-SECBINFHSA-N -1 0 326.368 3.672 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1c[nH]c(C(F)(F)F)c1 ZINC000815815273 1136639915 /nfs/dbraw/zinc/63/99/15/1136639915.db2.gz SPQGAYNAIIBNIQ-UHFFFAOYSA-N -1 0 327.287 3.716 20 0 EHADRM C[C@](O)(C(=O)Nc1ccc2[n-]c(=S)oc2c1)c1ccc(Cl)cc1 ZINC000815815107 1136639943 /nfs/dbraw/zinc/63/99/43/1136639943.db2.gz LMPKIBOOBWCVPJ-MRXNPFEDSA-N -1 0 348.811 3.616 20 0 EHADRM CCC[C@@H](C(=O)[N-]S(=O)(=O)[C@H](c1ccccc1)C(C)C)C(C)C ZINC000816112312 1136677937 /nfs/dbraw/zinc/67/79/37/1136677937.db2.gz QSWYAGRMMWYHJG-SJORKVTESA-N -1 0 339.501 3.902 20 0 EHADRM CCCCc1ccc(NC(=O)c2cccc(-c3nc(=O)o[n-]3)c2)cc1 ZINC001135653744 1136744249 /nfs/dbraw/zinc/74/42/49/1136744249.db2.gz GRTUUTGUCAXDQO-UHFFFAOYSA-N -1 0 337.379 3.625 20 0 EHADRM O=C(NC1CCC2(CC2(F)F)CC1)c1ccc2[n-]c(=S)oc2c1 ZINC000855960365 1136745120 /nfs/dbraw/zinc/74/51/20/1136745120.db2.gz MTINPGJZZTUCLL-UHFFFAOYSA-N -1 0 338.379 3.814 20 0 EHADRM CC1(C)Oc2ccc(NC(=O)c3ccc4oc(=S)[n-]c4c3)cc2O1 ZINC000816875769 1136762734 /nfs/dbraw/zinc/76/27/34/1136762734.db2.gz HMCIGXGFSVOIRY-UHFFFAOYSA-N -1 0 342.376 3.876 20 0 EHADRM CC[C@H](C)CO[N-]C(=O)C1(c2cc(F)cc(Br)c2)CC1 ZINC000816978974 1136769566 /nfs/dbraw/zinc/76/95/66/1136769566.db2.gz FEKLHJGWVPCAQP-JTQLQIEISA-N -1 0 344.224 3.714 20 0 EHADRM O=C(c1n[n-]c2ccccc2c1=O)N1CCC[C@@H](C2CCCCC2)C1 ZINC000856303051 1136774138 /nfs/dbraw/zinc/77/41/38/1136774138.db2.gz BGJRVBJQRSZPLP-OAHLLOKOSA-N -1 0 339.439 3.768 20 0 EHADRM O=C(c1n[n-]c2ccccc2c1=O)N1CCC[C@H](C2CCCCC2)C1 ZINC000856303050 1136774292 /nfs/dbraw/zinc/77/42/92/1136774292.db2.gz BGJRVBJQRSZPLP-HNNXBMFYSA-N -1 0 339.439 3.768 20 0 EHADRM O=C([N-]OCC1CC1)[C@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC000817368612 1136801590 /nfs/dbraw/zinc/80/15/90/1136801590.db2.gz WYDTUGBQRRTGEL-QGZVFWFLSA-N -1 0 331.799 3.918 20 0 EHADRM O=C([O-])C1(CC(=O)NCC[C@@H]2CC2(Cl)Cl)CCCCCC1 ZINC000856718804 1136802629 /nfs/dbraw/zinc/80/26/29/1136802629.db2.gz ONJHRFBDBCIDKB-LLVKDONJSA-N -1 0 336.259 3.502 20 0 EHADRM CCc1ccc(O)c(C(=O)N(OC)[C@H]2CCCOc3ccccc32)c1 ZINC000857470027 1136874445 /nfs/dbraw/zinc/87/44/45/1136874445.db2.gz AXSGYUWMVOWGFW-KRWDZBQOSA-N -1 0 341.407 3.872 20 0 EHADRM CON(Cc1ccccc1)C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000857482956 1136875948 /nfs/dbraw/zinc/87/59/48/1136875948.db2.gz KBDDTGNSEKTQPI-UHFFFAOYSA-N -1 0 325.286 3.615 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N(CC(F)(F)F)C1CC1 ZINC000857509439 1136878744 /nfs/dbraw/zinc/87/87/44/1136878744.db2.gz JTPGTFBMLLZMPA-UHFFFAOYSA-N -1 0 327.224 3.578 20 0 EHADRM O=C(NCc1ccc(OC(F)F)c(F)c1)c1cccc(Cl)c1[O-] ZINC000818528460 1136879481 /nfs/dbraw/zinc/87/94/81/1136879481.db2.gz SXCXZVGNWRFYQR-UHFFFAOYSA-N -1 0 345.704 3.716 20 0 EHADRM O=C(NCc1ccc(F)cc1F)c1cccc(C(F)(F)F)c1[O-] ZINC001136179098 1136902891 /nfs/dbraw/zinc/90/28/91/1136902891.db2.gz VCJTUEMMWFVBSZ-UHFFFAOYSA-N -1 0 331.240 3.619 20 0 EHADRM C[C@H]([N-]C(=O)C(F)(F)c1ccccc1Br)C(F)(F)F ZINC000819625898 1136954053 /nfs/dbraw/zinc/95/40/53/1136954053.db2.gz YJECJWCYGKPGDZ-LURJTMIESA-N -1 0 346.093 3.608 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)N3CCC[C@@H]4CCC[C@@H]43)c([O-])c2)o1 ZINC000820296617 1136985443 /nfs/dbraw/zinc/98/54/43/1136985443.db2.gz WTFMEGPKLSJEPB-GUYCJALGSA-N -1 0 339.391 3.869 20 0 EHADRM CC[C@H](C(=O)[N-]O[C@H]1CCCCO1)c1ccc(Br)cc1 ZINC000858986001 1136999332 /nfs/dbraw/zinc/99/93/32/1136999332.db2.gz BEAYCCVTWXGYJQ-KBPBESRZSA-N -1 0 342.233 3.517 20 0 EHADRM O=C(c1cccc(F)c1[O-])N1C[C@@H]2CCCCN2c2ccccc21 ZINC000820734316 1137001703 /nfs/dbraw/zinc/00/17/03/1137001703.db2.gz MRRGFIHSUSMQHI-ZDUSSCGKSA-N -1 0 326.371 3.551 20 0 EHADRM CC[C@@H](C)c1ccccc1OS(=O)(=O)c1cn[n-]c1C(F)(F)F ZINC000820758306 1137003545 /nfs/dbraw/zinc/00/35/45/1137003545.db2.gz XPJIHBMVDYFMQT-SECBINFHSA-N -1 0 348.346 3.710 20 0 EHADRM CO[C@@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[O-])CC1(C)C ZINC000821457003 1137028136 /nfs/dbraw/zinc/02/81/36/1137028136.db2.gz XVQIIBGLAJUUED-GFCCVEGCSA-N -1 0 332.227 3.586 20 0 EHADRM CCCCCC[C@@H](C)NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000013250646 1137060508 /nfs/dbraw/zinc/06/05/08/1137060508.db2.gz LWNVGVWBKCJTNM-LLVKDONJSA-N -1 0 347.864 3.675 20 0 EHADRM CCN(CC1CCC1)C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000822603681 1137065928 /nfs/dbraw/zinc/06/59/28/1137065928.db2.gz YVJMKHINCGUFBX-UHFFFAOYSA-N -1 0 327.380 3.727 20 0 EHADRM CC[C@H]1CCc2nc(NC(=O)c3nc[nH]c3C(F)(F)F)sc2C1 ZINC000822807217 1137075192 /nfs/dbraw/zinc/07/51/92/1137075192.db2.gz PMMDUBXOHNOWMP-ZETCQYMHSA-N -1 0 344.362 3.652 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@@H](C)c1ccco1 ZINC000860789796 1137078471 /nfs/dbraw/zinc/07/84/71/1137078471.db2.gz KEVKMVRJICGDHV-RDTXWAMCSA-N -1 0 349.452 3.617 20 0 EHADRM Cc1cc(C(F)F)oc1C(=O)[N-]S(=O)(=O)CCC1CCCCC1 ZINC000860811897 1137079342 /nfs/dbraw/zinc/07/93/42/1137079342.db2.gz KKMFIKMFZBCWGR-UHFFFAOYSA-N -1 0 349.399 3.556 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1cccc(C2SCCS2)c1 ZINC000013468484 1137087042 /nfs/dbraw/zinc/08/70/42/1137087042.db2.gz QAZSBXPUDCLHIQ-KGLIPLIRSA-N -1 0 349.477 3.771 20 0 EHADRM CC(C)OCc1ccc(NC(=O)c2nc[nH]c2C(F)(F)F)cc1 ZINC000823559823 1137105705 /nfs/dbraw/zinc/10/57/05/1137105705.db2.gz SHBGCIFDADIALT-UHFFFAOYSA-N -1 0 327.306 3.606 20 0 EHADRM Cc1c(F)cc(C(=O)[O-])cc1Nc1cc(Br)ccc1N ZINC001160278941 1137110648 /nfs/dbraw/zinc/11/06/48/1137110648.db2.gz VPSLIQBRSJRTSV-UHFFFAOYSA-N -1 0 339.164 3.921 20 0 EHADRM O=C(c1ccc(Cl)c([O-])c1)N1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC001136861944 1137133766 /nfs/dbraw/zinc/13/37/66/1137133766.db2.gz RMWFYLCMTDLVHY-CYBMUJFWSA-N -1 0 347.802 3.673 20 0 EHADRM CC(=O)Nc1cc(NC(=O)c2ccc3[n-]c(=S)oc3c2)ccc1C ZINC000118877862 1137138145 /nfs/dbraw/zinc/13/81/45/1137138145.db2.gz USUCMCUQNIWLCI-UHFFFAOYSA-N -1 0 341.392 3.636 20 0 EHADRM O=C(N[C@@H](c1ccccn1)C1CCC1)c1ccc2[n-]c(=S)oc2c1 ZINC000862744037 1137155505 /nfs/dbraw/zinc/15/55/05/1137155505.db2.gz AAFCLHAMJFYGBO-MRXNPFEDSA-N -1 0 339.420 3.783 20 0 EHADRM CO[C@@H](CO[N-]C(=O)C(C)(C)c1ccccc1)c1ccc(F)cc1 ZINC000863456772 1137187402 /nfs/dbraw/zinc/18/74/02/1137187402.db2.gz IRQUROQEQOFKKT-KRWDZBQOSA-N -1 0 331.387 3.539 20 0 EHADRM COC(=O)c1cccc([C@H](C)Nc2ccccc2/C=C/C(=O)[O-])c1 ZINC001171107354 1137199836 /nfs/dbraw/zinc/19/98/36/1137199836.db2.gz QQRHHXRZUJBLNX-NHAQELONSA-N -1 0 325.364 3.744 20 0 EHADRM C[C@@H]1CN(c2nccc3ccc(Br)cc32)CC[C@@H]1C(=O)[O-] ZINC000863734125 1137201288 /nfs/dbraw/zinc/20/12/88/1137201288.db2.gz LABLSZJTIPJNJR-MFKMUULPSA-N -1 0 349.228 3.544 20 0 EHADRM Cc1ccc(C(=O)N2CCS[C@H](c3ccccc3)C2)cc1C(=O)[O-] ZINC000864110370 1137215529 /nfs/dbraw/zinc/21/55/29/1137215529.db2.gz CCDRSCYRQSKILZ-KRWDZBQOSA-N -1 0 341.432 3.624 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)Cc1coc2c1ccc(Cl)c2Cl ZINC000864113106 1137215806 /nfs/dbraw/zinc/21/58/06/1137215806.db2.gz OMWFLJSGEUOKSM-UHFFFAOYSA-N -1 0 344.194 3.605 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)cc1C(=O)[O-] ZINC000864113001 1137215835 /nfs/dbraw/zinc/21/58/35/1137215835.db2.gz IXCVHZUSBHXQEX-WBMJQRKESA-N -1 0 327.380 3.900 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc2c(ccc3ccccc23)o1 ZINC000864119025 1137216024 /nfs/dbraw/zinc/21/60/24/1137216024.db2.gz SZYVPLDZFAOTNK-LJQANCHMSA-N -1 0 325.364 3.959 20 0 EHADRM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000864119969 1137216027 /nfs/dbraw/zinc/21/60/27/1137216027.db2.gz RDZKRYHOIWYDCD-MEYUZBJRSA-N -1 0 339.391 3.534 20 0 EHADRM C[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1)c1ccco1 ZINC000864126040 1137216189 /nfs/dbraw/zinc/21/61/89/1137216189.db2.gz DHGWCNIRFIKDMH-SMDDNHRTSA-N -1 0 335.787 3.759 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000864129862 1137216524 /nfs/dbraw/zinc/21/65/24/1137216524.db2.gz IYGSIEZLQSPRIT-OAQYLSRUSA-N -1 0 345.483 3.995 20 0 EHADRM CCOc1ccccc1[C@H](CC)NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000864142112 1137216980 /nfs/dbraw/zinc/21/69/80/1137216980.db2.gz CLLVSRQYEVENMH-PABFRNLHSA-N -1 0 343.379 3.657 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)CC(C)(C)c1ccc(F)cc1 ZINC000864145152 1137217082 /nfs/dbraw/zinc/21/70/82/1137217082.db2.gz JFISBZICYVEZRZ-UHFFFAOYSA-N -1 0 345.370 3.839 20 0 EHADRM Cc1ccc(C(=O)N2CCC[C@@H](Cc3ccccc3)C2)cc1C(=O)[O-] ZINC000864143153 1137217093 /nfs/dbraw/zinc/21/70/93/1137217093.db2.gz CULPTLNXFGJYHW-KRWDZBQOSA-N -1 0 337.419 3.788 20 0 EHADRM Cc1cc([C@H](NC(=O)/C=C\c2cc(C(=O)[O-])co2)C2CC2)ccc1F ZINC000864152914 1137217377 /nfs/dbraw/zinc/21/73/77/1137217377.db2.gz SPRSIMJFLYVMHD-LZCIBIBXSA-N -1 0 343.354 3.706 20 0 EHADRM Cc1cccc(C)c1[C@H]1CCCN1C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000864152938 1137217391 /nfs/dbraw/zinc/21/73/91/1137217391.db2.gz SXJLCRIIHBJAAV-XZVRFQMRSA-N -1 0 339.391 3.972 20 0 EHADRM COc1ccc(N(CCC(C)C)C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000864177997 1137217866 /nfs/dbraw/zinc/21/78/66/1137217866.db2.gz VLDTXMUWJBSONS-CABCVRRESA-N -1 0 333.428 3.575 20 0 EHADRM C/C(=C\C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21)c1ccccc1Cl ZINC000864175379 1137217932 /nfs/dbraw/zinc/21/79/32/1137217932.db2.gz JYFQVCGWYWDAON-GKPYXUANSA-N -1 0 347.842 3.845 20 0 EHADRM Cc1ccc(C(=O)NC2CCC(OC(C)(C)C)CC2)cc1C(=O)[O-] ZINC000864190097 1137218286 /nfs/dbraw/zinc/21/82/86/1137218286.db2.gz YEMSTWYSMYOCNW-UHFFFAOYSA-N -1 0 333.428 3.549 20 0 EHADRM CCC[C@@H](C(=O)NCc1cc(C(=O)[O-])co1)c1ccc(Cl)cc1 ZINC000864195061 1137218553 /nfs/dbraw/zinc/21/85/53/1137218553.db2.gz WRHTYXNEHFRWCS-OAHLLOKOSA-N -1 0 335.787 3.831 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@](F)(c3ccccc3)C2)s1 ZINC000864201664 1137218814 /nfs/dbraw/zinc/21/88/14/1137218814.db2.gz DXDIWXCOQXCGDO-KRWDZBQOSA-N -1 0 333.384 3.547 20 0 EHADRM Cc1ccc(CCC(=O)N[C@H](CC(=O)[O-])c2cccc(C)c2)cc1 ZINC000864227512 1137219316 /nfs/dbraw/zinc/21/93/16/1137219316.db2.gz DCMXHSUMBNDHLR-GOSISDBHSA-N -1 0 325.408 3.568 20 0 EHADRM CC(C)(CC(=O)N1C[C@H](CC(=O)[O-])c2ccccc21)C(F)(F)F ZINC000864226799 1137219390 /nfs/dbraw/zinc/21/93/90/1137219390.db2.gz QYUCUVUKROSRQG-JTQLQIEISA-N -1 0 329.318 3.570 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)CCSc2ccccc2)c1 ZINC000864228504 1137219434 /nfs/dbraw/zinc/21/94/34/1137219434.db2.gz NCUVOVZVHOLTPV-KRWDZBQOSA-N -1 0 343.448 3.809 20 0 EHADRM C[C@@H](c1ccccc1)[C@H](NCc1nc(C(C)(C)C)cs1)C(=O)[O-] ZINC000864516229 1137231360 /nfs/dbraw/zinc/23/13/60/1137231360.db2.gz KFCSENYHVWKIFW-LRDDRELGSA-N -1 0 332.469 3.787 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)N[C@@H](C)c1cnc(C)s1)C(=O)[O-] ZINC000864542551 1137234046 /nfs/dbraw/zinc/23/40/46/1137234046.db2.gz OMFKMDRUWNEMKE-MEDUHNTESA-N -1 0 341.477 3.625 20 0 EHADRM CN(C(=O)Nc1nc(C2CCCCC2)cs1)C(C)(C)C(=O)[O-] ZINC000864584060 1137235720 /nfs/dbraw/zinc/23/57/20/1137235720.db2.gz HSIKDEREJCMAJR-UHFFFAOYSA-N -1 0 325.434 3.518 20 0 EHADRM CCCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000845594285 1137300556 /nfs/dbraw/zinc/30/05/56/1137300556.db2.gz HJCRSWLEHIIWBX-UHFFFAOYSA-N -1 0 337.416 3.610 20 0 EHADRM O=C(CCc1ccccc1O)Nc1ccc2[n-]c(=S)sc2c1 ZINC001144514350 1137304119 /nfs/dbraw/zinc/30/41/19/1137304119.db2.gz ZANSYMVLGPBPIF-UHFFFAOYSA-N -1 0 330.434 3.862 20 0 EHADRM CC(C)CCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)oc1ccccc12 ZINC000845826549 1137313282 /nfs/dbraw/zinc/31/32/82/1137313282.db2.gz VRCRXINLEGTXJT-UHFFFAOYSA-N -1 0 345.420 3.827 20 0 EHADRM O=C(Cc1ccc(O)c(F)c1)Nc1cc(-c2cccc(F)c2)ccn1 ZINC001144616297 1137318741 /nfs/dbraw/zinc/31/87/41/1137318741.db2.gz HMCABVQSAKHJCI-UHFFFAOYSA-N -1 0 340.329 3.914 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC2(CCSCC2)CC1 ZINC000870249349 1137483561 /nfs/dbraw/zinc/48/35/61/1137483561.db2.gz QDKCARHDTYISGI-UHFFFAOYSA-N -1 0 348.493 3.866 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC[C@H](OC2CCC2)CC1 ZINC000871327920 1137536779 /nfs/dbraw/zinc/53/67/79/1137536779.db2.gz BYUMHCCWLXTOPC-ZDUSSCGKSA-N -1 0 341.810 3.749 20 0 EHADRM CC(C)CCc1cc(=O)n(-c2nc(-c3ccc(Cl)cc3)no2)[n-]1 ZINC000871950779 1137563530 /nfs/dbraw/zinc/56/35/30/1137563530.db2.gz HCBWBLXQHRXJGE-UHFFFAOYSA-N -1 0 332.791 3.919 20 0 EHADRM CC(C)[C@@H]1CCc2[n-]n(-c3nc4cc(F)c(F)cc4[nH]3)c(=O)c2C1 ZINC000871942835 1137563560 /nfs/dbraw/zinc/56/35/60/1137563560.db2.gz OYWMYGYGDCPQGQ-ZJUUUORDSA-N -1 0 332.354 3.616 20 0 EHADRM CC(C)[C@H]1CCc2[n-]n(-c3ccnc(Br)c3)c(=O)c2C1 ZINC000871952502 1137563577 /nfs/dbraw/zinc/56/35/77/1137563577.db2.gz DEJBKYGBTNRTQI-CMPLNLGQSA-N -1 0 336.233 3.619 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2c(C)ccc3ccccc32)n[nH]c1C1CC1 ZINC000872002963 1137564218 /nfs/dbraw/zinc/56/42/18/1137564218.db2.gz IMRCRCXSVFCATL-UHFFFAOYSA-N -1 0 341.436 3.858 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2sccc2Cl)noc1C(C)(C)C ZINC000872009073 1137564329 /nfs/dbraw/zinc/56/43/29/1137564329.db2.gz UDWYEWVHCQSFQS-UHFFFAOYSA-N -1 0 334.850 3.796 20 0 EHADRM O=S(=O)([N-]c1scnc1C1CC1)c1ccc(F)c(C(F)F)c1 ZINC000872360314 1137578904 /nfs/dbraw/zinc/57/89/04/1137578904.db2.gz ILUNVYLBQDUWCS-UHFFFAOYSA-N -1 0 348.371 3.898 20 0 EHADRM Cc1nc(C)c([N-]S(=O)(=O)c2ccc(F)c(C(F)F)c2)s1 ZINC000872358762 1137578952 /nfs/dbraw/zinc/57/89/52/1137578952.db2.gz GUFAJIMDBQFUJI-UHFFFAOYSA-N -1 0 336.360 3.637 20 0 EHADRM CC(C)c1nc(S(=O)(=O)[N-]c2cccc(F)c2C(C)(F)F)c[nH]1 ZINC000872404976 1137579323 /nfs/dbraw/zinc/57/93/23/1137579323.db2.gz HOJRJASTACVADV-UHFFFAOYSA-N -1 0 347.362 3.585 20 0 EHADRM CC(C)n1cnc(S(=O)(=O)[N-]c2cccc(F)c2C(C)(F)F)c1 ZINC000872405933 1137579455 /nfs/dbraw/zinc/57/94/55/1137579455.db2.gz QLSIYPSCOAKEOF-UHFFFAOYSA-N -1 0 347.362 3.516 20 0 EHADRM COc1ccc(C2CC2)c([N-]S(=O)(=O)c2ccc(C(F)F)o2)c1 ZINC000872413053 1137579659 /nfs/dbraw/zinc/57/96/59/1137579659.db2.gz DSPUKRZCCPWMDT-UHFFFAOYSA-N -1 0 343.351 3.904 20 0 EHADRM CCn1ncc([N-]S(=O)(=O)c2cc(C(C)C)ccc2Cl)c1C ZINC000872422341 1137579954 /nfs/dbraw/zinc/57/99/54/1137579954.db2.gz LHKLVTSHPCVYAE-UHFFFAOYSA-N -1 0 341.864 3.789 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)Cc2csc(C3CCCC3)n2)cc1 ZINC000872719172 1137583152 /nfs/dbraw/zinc/58/31/52/1137583152.db2.gz ZTRGWEYBRBNUFZ-UHFFFAOYSA-N -1 0 344.436 3.609 20 0 EHADRM COc1cccc(C)c1NC(=O)[C@@](C)(CC(=O)[O-])c1ccc(F)cc1 ZINC000872861453 1137585671 /nfs/dbraw/zinc/58/56/71/1137585671.db2.gz PIQLELMMCJSCFU-IBGZPJMESA-N -1 0 345.370 3.514 20 0 EHADRM CC(C)C[C@@](C)(CC(=O)[O-])C(=O)NCCC[C@@H]1CC1(Cl)Cl ZINC000872875728 1137585836 /nfs/dbraw/zinc/58/58/36/1137585836.db2.gz FGYOGRSFXHYKJL-RISCZKNCSA-N -1 0 338.275 3.604 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)Nc1ccccc1OC1CCCC1 ZINC000872906476 1137586432 /nfs/dbraw/zinc/58/64/32/1137586432.db2.gz BWHAHXLCHZKTKI-UHFFFAOYSA-N -1 0 337.441 3.543 20 0 EHADRM O=C([N-]Oc1ccccc1F)C1(c2ccccc2Cl)CCOCC1 ZINC000874911042 1137626070 /nfs/dbraw/zinc/62/60/70/1137626070.db2.gz DYYHLWGTMURGJH-UHFFFAOYSA-N -1 0 349.789 3.638 20 0 EHADRM O=Cc1cccc(-c2ccc(-n3nc(C(=O)[O-])c4c3CCCC4)cc2)c1 ZINC000874971987 1137627372 /nfs/dbraw/zinc/62/73/72/1137627372.db2.gz HQOYJXTWOIGYBJ-UHFFFAOYSA-N -1 0 346.386 3.929 20 0 EHADRM Cc1cc(CNc2cc(C)cc(C[N-]C(=O)C(F)(F)F)c2)sn1 ZINC000877570577 1137681552 /nfs/dbraw/zinc/68/15/52/1137681552.db2.gz POCKZNOFBVJPMI-UHFFFAOYSA-N -1 0 343.374 3.551 20 0 EHADRM O=C([N-]OC1CCCC1)c1cc2cccc(C(F)(F)F)c2[nH]c1=O ZINC000879385881 1137746228 /nfs/dbraw/zinc/74/62/28/1137746228.db2.gz YORXIVJABNUEJK-UHFFFAOYSA-N -1 0 340.301 3.563 20 0 EHADRM CC(C)(C(=O)[N-]OCCC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000879566485 1137751292 /nfs/dbraw/zinc/75/12/92/1137751292.db2.gz HFRUQWIRKNRZTI-UHFFFAOYSA-N -1 0 343.267 3.983 20 0 EHADRM CC1(C)CCC[C@@H]1NC(=O)c1cc(Br)c(F)cc1[O-] ZINC001137145356 1137752492 /nfs/dbraw/zinc/75/24/92/1137752492.db2.gz ATBNCMMURQHQKF-LBPRGKRZSA-N -1 0 330.197 3.602 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1cccc2c1OCCO2 ZINC000130109623 1137834104 /nfs/dbraw/zinc/83/41/04/1137834104.db2.gz JADXMFDVWCUTCF-UHFFFAOYSA-N -1 0 340.162 3.723 20 0 EHADRM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)ccc2C)c1 ZINC000130401045 1137837061 /nfs/dbraw/zinc/83/70/61/1137837061.db2.gz QVEHYJZSHZSMHQ-UHFFFAOYSA-N -1 0 341.791 3.791 20 0 EHADRM CCC(C)(CC)C(=O)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000133287949 1137884039 /nfs/dbraw/zinc/88/40/39/1137884039.db2.gz GSVWKQQIXPXLNB-UHFFFAOYSA-N -1 0 331.503 3.677 20 0 EHADRM CC(C)(C)C[C@@H]1CCCN1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000332163482 1137934074 /nfs/dbraw/zinc/93/40/74/1137934074.db2.gz RAHRKNJPPSHYFC-ZDUSSCGKSA-N -1 0 345.418 3.758 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(N2CCCCC2)c(F)c1 ZINC000887317956 1138263774 /nfs/dbraw/zinc/26/37/74/1138263774.db2.gz XFJYABCYTPCELW-UHFFFAOYSA-N -1 0 336.407 3.646 20 0 EHADRM O=C([O-])CC1(CC(=O)NCc2nsc3ccccc23)CCCCC1 ZINC000887319315 1138264520 /nfs/dbraw/zinc/26/45/20/1138264520.db2.gz QZACOJNXENZCNJ-UHFFFAOYSA-N -1 0 346.452 3.728 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1)C1CC1 ZINC000887382251 1138293898 /nfs/dbraw/zinc/29/38/98/1138293898.db2.gz BBVGOEBXQAQVST-PRHODGIISA-N -1 0 348.296 3.729 20 0 EHADRM CC1(C)CC[C@@H](CCNC(=O)c2cc(F)c([O-])c(Cl)c2)OC1 ZINC000887415946 1138314771 /nfs/dbraw/zinc/31/47/71/1138314771.db2.gz ATRAWOIBGBFLFI-NSHDSACASA-N -1 0 329.799 3.510 20 0 EHADRM CCS(=O)(=O)[N-]c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000129980907 1138430358 /nfs/dbraw/zinc/43/03/58/1138430358.db2.gz IIPHIXVOBXDYFK-UHFFFAOYSA-N -1 0 336.360 3.591 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1cnc2cnccc2c1 ZINC000337005507 1138446416 /nfs/dbraw/zinc/44/64/16/1138446416.db2.gz YLWPYGNIGDQDBA-UHFFFAOYSA-N -1 0 334.162 3.895 20 0 EHADRM O=S(=O)([N-]c1ccc(F)c(C2CC2)c1)c1cc(F)ccc1F ZINC000337162034 1138482668 /nfs/dbraw/zinc/48/26/68/1138482668.db2.gz VEYFPUQEWKBKJI-UHFFFAOYSA-N -1 0 327.327 3.782 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(CN(C)C)c2)s1 ZINC000337241391 1138505331 /nfs/dbraw/zinc/50/53/31/1138505331.db2.gz GIAVREWSDQEEPG-UHFFFAOYSA-N -1 0 344.889 3.572 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)NCCC(C)(C)C)cc2)cc(=O)[nH]1 ZINC000337602531 1138618348 /nfs/dbraw/zinc/61/83/48/1138618348.db2.gz SSDVVDLLZCMDKF-UHFFFAOYSA-N -1 0 328.416 3.715 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)N(CC(=O)[O-])c2ccccc2)o1 ZINC000337699763 1138646499 /nfs/dbraw/zinc/64/64/99/1138646499.db2.gz BANTWZRHEBUXQE-BVUBDWEXSA-N -1 0 339.391 3.624 20 0 EHADRM CO[C@@H](C)c1nc(=NCc2cc(Cl)ccc2OC(F)F)s[n-]1 ZINC000337879815 1138689194 /nfs/dbraw/zinc/68/91/94/1138689194.db2.gz TUNKCBYULLWMQA-ZETCQYMHSA-N -1 0 349.790 3.534 20 0 EHADRM CO[C@H](C)c1nc(=NCc2cc(Cl)ccc2OC(F)F)s[n-]1 ZINC000337879813 1138689196 /nfs/dbraw/zinc/68/91/96/1138689196.db2.gz TUNKCBYULLWMQA-SSDOTTSWSA-N -1 0 349.790 3.534 20 0 EHADRM CO[C@H](C)c1nsc(=NCCCO[C@@H]2CCCc3ccccc32)[n-]1 ZINC000337886433 1138691338 /nfs/dbraw/zinc/69/13/38/1138691338.db2.gz YGEJYWIDQXHXSK-CZUORRHYSA-N -1 0 347.484 3.564 20 0 EHADRM CC(C)(C)c1ccc(CSCC(=O)[N-]OCc2cccnc2)cc1 ZINC001295260681 1138778228 /nfs/dbraw/zinc/77/82/28/1138778228.db2.gz YXXJBZSXBXKSGH-UHFFFAOYSA-N -1 0 344.480 3.860 20 0 EHADRM Cc1c(Cl)cc([N-]S(=O)(=O)c2cn(C(C)C)cn2)cc1Cl ZINC000338217365 1138791112 /nfs/dbraw/zinc/79/11/12/1138791112.db2.gz DLGGUMSPBRXDLG-UHFFFAOYSA-N -1 0 348.255 3.880 20 0 EHADRM Cc1occc1-c1nnc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)o1 ZINC000153817725 1139153027 /nfs/dbraw/zinc/15/30/27/1139153027.db2.gz ZWNUYGAHBVKDOI-UHFFFAOYSA-N -1 0 347.396 3.562 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000173781842 1139377279 /nfs/dbraw/zinc/37/72/79/1139377279.db2.gz YIDIKQUEQPRXRW-SECBINFHSA-N -1 0 330.331 3.531 20 0 EHADRM Cn1cccc1[C@H]1CCCCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000174393125 1139418127 /nfs/dbraw/zinc/41/81/27/1139418127.db2.gz RKJZEQQYSOWUED-OAHLLOKOSA-N -1 0 341.436 3.822 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCS[C@H]2CCCC[C@H]21 ZINC000176230282 1139546578 /nfs/dbraw/zinc/54/65/78/1139546578.db2.gz WGSUKYGVIZGEMX-OCCSQVGLSA-N -1 0 334.466 3.617 20 0 EHADRM Cc1ccc([C@H]2CCCCCN2C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)o1 ZINC000180016719 1139802041 /nfs/dbraw/zinc/80/20/41/1139802041.db2.gz ADVLCFLGIZYISG-HRCADAONSA-N -1 0 333.428 3.923 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000183071029 1140011616 /nfs/dbraw/zinc/01/16/16/1140011616.db2.gz NXUJOGIEKCMQKN-JQWIXIFHSA-N -1 0 335.325 3.828 20 0 EHADRM CC[C@@H]1CN(C(=O)c2cc(C(=O)[O-])co2)CC[C@@H]1c1ccccc1 ZINC000183815081 1140059795 /nfs/dbraw/zinc/05/97/95/1140059795.db2.gz HRQBPKZEDYLIGJ-CJNGLKHVSA-N -1 0 327.380 3.634 20 0 EHADRM CCOCCC1(CNC(=O)c2cc(F)c([O-])c(Cl)c2)CCCC1 ZINC000184499073 1140106344 /nfs/dbraw/zinc/10/63/44/1140106344.db2.gz UAYSECBHGADOTJ-UHFFFAOYSA-N -1 0 343.826 3.902 20 0 EHADRM CCCCCc1nnc(NC(=O)c2cc(F)c(F)c([O-])c2F)s1 ZINC000185428012 1140149974 /nfs/dbraw/zinc/14/99/74/1140149974.db2.gz JPBLCGHWDUKXEH-UHFFFAOYSA-N -1 0 345.346 3.646 20 0 EHADRM C[C@@H](OC[C@H]1CCCCO1)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000185469803 1140151299 /nfs/dbraw/zinc/15/12/99/1140151299.db2.gz VPGYUGQMYORGFX-MWLCHTKSSA-N -1 0 348.226 3.612 20 0 EHADRM CCc1nc(C)c([C@H](C)N(C)C(=O)c2cc(F)c([O-])c(F)c2)s1 ZINC000186831639 1140224400 /nfs/dbraw/zinc/22/44/00/1140224400.db2.gz QFFPEJRSZXCXPR-VIFPVBQESA-N -1 0 340.395 3.831 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2noc3c2CCCCC3)cc1Cl ZINC000190607477 1140412132 /nfs/dbraw/zinc/41/21/32/1140412132.db2.gz KOPJLJOMHBICBZ-UHFFFAOYSA-N -1 0 334.759 3.547 20 0 EHADRM CCC(CC)(CNC(=O)c1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000191122571 1140438015 /nfs/dbraw/zinc/43/80/15/1140438015.db2.gz RUWXULCBZYXDNT-UHFFFAOYSA-N -1 0 345.361 3.802 20 0 EHADRM C[C@@H](C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1)c1cccc(F)c1 ZINC000191541291 1140471159 /nfs/dbraw/zinc/47/11/59/1140471159.db2.gz CGNIUAQKBJYWTB-KDOFPFPSSA-N -1 0 343.398 3.522 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)C1CCC(C(=O)[O-])CC1 ZINC000194404387 1140607806 /nfs/dbraw/zinc/60/78/06/1140607806.db2.gz IQPTZAMZMJSLFV-QQFBHYJXSA-N -1 0 331.456 3.750 20 0 EHADRM CCC[C@H](NC(=O)C1CCC(C(=O)[O-])CC1)c1ccc(F)cc1F ZINC000194435244 1140609628 /nfs/dbraw/zinc/60/96/28/1140609628.db2.gz GBQDANMHQLCZPJ-PPUFBPAQSA-N -1 0 339.382 3.813 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000194433508 1140609767 /nfs/dbraw/zinc/60/97/67/1140609767.db2.gz QDAWWLVPQPJLDL-ABHNRTSZSA-N -1 0 331.456 3.666 20 0 EHADRM CC(C)(C)c1nnc([N-]C(=O)c2c(F)c(F)cc(F)c2F)s1 ZINC000267310397 1140777154 /nfs/dbraw/zinc/77/71/54/1140777154.db2.gz NOAWLGYFUKMNMD-UHFFFAOYSA-N -1 0 333.310 3.644 20 0 EHADRM C[C@@H]1CN(Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C[C@H]1C ZINC000267820979 1140839500 /nfs/dbraw/zinc/83/95/00/1140839500.db2.gz OUXXZDFEBJATRG-GHMZBOCLSA-N -1 0 329.425 3.745 20 0 EHADRM O=C(CC[C@@H]1CCOC1)Nc1cc(Br)cc(Cl)c1[O-] ZINC000270650007 1141250784 /nfs/dbraw/zinc/25/07/84/1141250784.db2.gz LOPNWPUAAZOCGY-MRVPVSSYSA-N -1 0 348.624 3.563 20 0 EHADRM O=C(Nc1cc(Br)cc(Cl)c1[O-])[C@@H]1CCCS1 ZINC000270673908 1141254761 /nfs/dbraw/zinc/25/47/61/1141254761.db2.gz RXCDHKNAIKZRAW-VIFPVBQESA-N -1 0 336.638 3.642 20 0 EHADRM CC(C)(C)n1cc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC000271294489 1141341043 /nfs/dbraw/zinc/34/10/43/1141341043.db2.gz MQKXKKKXEGCWPM-UHFFFAOYSA-N -1 0 328.199 3.903 20 0 EHADRM COc1cc2c(c(/C=C/c3nc(C(=O)[O-])c(C)s3)c1)O[C@H](C)C2 ZINC000339113452 1141500853 /nfs/dbraw/zinc/50/08/53/1141500853.db2.gz AJGJHLYHWDKODY-XNPJLODASA-N -1 0 331.393 3.652 20 0 EHADRM Cc1sc(/C=C/c2csc(-c3ccccn3)n2)nc1C(=O)[O-] ZINC000339113808 1141500960 /nfs/dbraw/zinc/50/09/60/1141500960.db2.gz HQZFWNNQQRDSGO-AATRIKPKSA-N -1 0 329.406 3.839 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1s[n-]c(=O)c1Cl ZINC000283090713 1141551566 /nfs/dbraw/zinc/55/15/66/1141551566.db2.gz RCNXXNDNJMVWJV-SNVBAGLBSA-N -1 0 338.860 3.988 20 0 EHADRM C[C@H](c1c(F)cccc1F)N(C)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000348654958 1141563045 /nfs/dbraw/zinc/56/30/45/1141563045.db2.gz YQTUUNLKRWNPES-SSDOTTSWSA-N -1 0 345.267 3.921 20 0 EHADRM CCc1nc(C)c([C@H](C)N(C)C(=O)c2s[n-]c(=O)c2Cl)s1 ZINC000283155910 1141564127 /nfs/dbraw/zinc/56/41/27/1141564127.db2.gz SZGDLMHAVOQZPF-ZETCQYMHSA-N -1 0 345.877 3.663 20 0 EHADRM O=S(=O)([N-]c1cccc(OC(F)F)c1)c1ccc(Cl)s1 ZINC000055598453 214333216 /nfs/dbraw/zinc/33/32/16/214333216.db2.gz DCIYWADLHBABSK-UHFFFAOYSA-N -1 0 339.772 3.804 20 0 EHADRM COc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000055663955 214336552 /nfs/dbraw/zinc/33/65/52/214336552.db2.gz CNMCVPZPTHBWAD-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cccc(Cl)c1Cl)C1CCCCC1 ZINC000038036175 213193815 /nfs/dbraw/zinc/19/38/15/213193815.db2.gz RTAQYSQSXMDSFA-CYBMUJFWSA-N -1 0 330.211 3.757 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c(O)c1 ZINC000035082212 213006330 /nfs/dbraw/zinc/00/63/30/213006330.db2.gz OIFPJMFHNLAVEY-UHFFFAOYSA-N -1 0 338.237 3.870 20 0 EHADRM O=C(Nc1ncc(Br)s1)c1cccc(Cl)c1[O-] ZINC000072108948 216010389 /nfs/dbraw/zinc/01/03/89/216010389.db2.gz LJMNZCJJTNKGHL-UHFFFAOYSA-N -1 0 333.594 3.517 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1ccc2ccccc2c1 ZINC000021141477 212211210 /nfs/dbraw/zinc/21/12/10/212211210.db2.gz ROBXQWQROMIUIP-UHFFFAOYSA-N -1 0 335.359 3.864 20 0 EHADRM O=C([O-])c1cccnc1SCc1cc(Br)ccc1F ZINC000019282596 212010048 /nfs/dbraw/zinc/01/00/48/212010048.db2.gz PNEGLHAXISATTH-UHFFFAOYSA-N -1 0 342.189 3.974 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(Oc3ccccc3)cc2)nc1 ZINC000090396281 217926391 /nfs/dbraw/zinc/92/63/91/217926391.db2.gz LYLTUQWYWMNDGE-UHFFFAOYSA-N -1 0 340.404 3.983 20 0 EHADRM O=c1nc(CSc2ccc3ccccc3n2)[n-]c2ccsc21 ZINC000010961975 211197989 /nfs/dbraw/zinc/19/79/89/211197989.db2.gz MVVBJVASFLPVDL-UHFFFAOYSA-N -1 0 325.418 3.825 20 0 EHADRM O=S(=O)(Nc1cc(F)ccc1Cl)c1cccc(Cl)c1[O-] ZINC000555530006 450602654 /nfs/dbraw/zinc/60/26/54/450602654.db2.gz JGGSNPHWLPYVLO-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@H](C)c2ccccc2Cl)c(C)c1 ZINC000107971130 526090134 /nfs/dbraw/zinc/09/01/34/526090134.db2.gz KRDJEYIHEFKLPM-QKFKETGDSA-N -1 0 349.883 3.942 20 0 EHADRM Cc1ncsc1CCOc1ccc(Br)cc1C(=O)[O-] ZINC000050285167 601402182 /nfs/dbraw/zinc/40/21/82/601402182.db2.gz SPPKLZXLEYQTHY-UHFFFAOYSA-N -1 0 342.214 3.534 20 0 EHADRM O=C([O-])c1ccc(CSc2ncccc2Br)cc1F ZINC000236483870 601676345 /nfs/dbraw/zinc/67/63/45/601676345.db2.gz UFKAXZZBDYNVIF-UHFFFAOYSA-N -1 0 342.189 3.974 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)Nc2ccc(SC3CCCC3)cc2)C1 ZINC000263511636 596908528 /nfs/dbraw/zinc/90/85/28/596908528.db2.gz YAMFNUYOTNSHET-LBPRGKRZSA-N -1 0 334.441 3.660 20 0 EHADRM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818084861 596925241 /nfs/dbraw/zinc/92/52/41/596925241.db2.gz FHPKXDLQEPGGIN-RHSMWYFYSA-N -1 0 338.407 3.724 20 0 EHADRM Cc1cccc(C2(C(=O)N3CCC(C(=O)[O-])CC3)CCCCC2)c1 ZINC000237924264 597017891 /nfs/dbraw/zinc/01/78/91/597017891.db2.gz JWSGYZPFCWTPTE-UHFFFAOYSA-N -1 0 329.440 3.520 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)Nc2ccccc2CC(F)(F)F)C1 ZINC000557177033 597120939 /nfs/dbraw/zinc/12/09/39/597120939.db2.gz CAZMOANIVXHMKU-LLVKDONJSA-N -1 0 344.333 3.510 20 0 EHADRM CC(C)(C)OCc1ccc(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000817814594 597122568 /nfs/dbraw/zinc/12/25/68/597122568.db2.gz BXINFOFIFCJVQM-OAHLLOKOSA-N -1 0 348.443 3.720 20 0 EHADRM CC1(C)CN(C(=O)Nc2cccc(CC(=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000737730983 597186124 /nfs/dbraw/zinc/18/61/24/597186124.db2.gz IGYFIFIDOJKDNP-GOSISDBHSA-N -1 0 338.407 3.929 20 0 EHADRM CCc1ccc([C@H]2CCCN2C(=O)Nc2cccc(CC(=O)[O-])c2)o1 ZINC000737902666 597190699 /nfs/dbraw/zinc/19/06/99/597190699.db2.gz NZNDDQOWULVOBS-MRXNPFEDSA-N -1 0 342.395 3.838 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)c1ccccc1Cl ZINC000321162504 597198657 /nfs/dbraw/zinc/19/86/57/597198657.db2.gz HIOYBDRJWMFVRZ-LLVKDONJSA-N -1 0 332.787 3.850 20 0 EHADRM CC[C@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)c1ccccc1OC ZINC000737782498 597200929 /nfs/dbraw/zinc/20/09/29/597200929.db2.gz GVSNNSLWFUYNSS-INIZCTEOSA-N -1 0 342.395 3.595 20 0 EHADRM CC[C@](C)(NC(=O)Nc1cccc(CC(=O)[O-])c1)c1nc(C)cs1 ZINC000818132382 597204976 /nfs/dbraw/zinc/20/49/76/597204976.db2.gz VRDMZNVBNOTLLS-KRWDZBQOSA-N -1 0 347.440 3.526 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000263410779 597230372 /nfs/dbraw/zinc/23/03/72/597230372.db2.gz USYRDTWUMYOVKM-QGZVFWFLSA-N -1 0 342.370 3.571 20 0 EHADRM Cc1ccccc1[C@@H](C)N(C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263352320 597231602 /nfs/dbraw/zinc/23/16/02/597231602.db2.gz HZXGDSFBOSUMLT-CQSZACIVSA-N -1 0 326.396 3.596 20 0 EHADRM Cc1cc(C)cc(C[C@H](C)NC(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000818809179 597326642 /nfs/dbraw/zinc/32/66/42/597326642.db2.gz ZXZIBBDIFYYDNH-HNNXBMFYSA-N -1 0 340.423 3.683 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000819608872 597337060 /nfs/dbraw/zinc/33/70/60/597337060.db2.gz CXIWVCUESDZTDF-QGZVFWFLSA-N -1 0 338.407 3.553 20 0 EHADRM CC(C)[C@@H](NC(=O)Nc1ccccc1CC(=O)[O-])c1ccccc1 ZINC000817853549 597338140 /nfs/dbraw/zinc/33/81/40/597338140.db2.gz WIZJDCRRSAFYCH-GOSISDBHSA-N -1 0 326.396 3.833 20 0 EHADRM C[C@@H](NC(=O)Nc1ccccc1CC(=O)[O-])c1ccccc1Cl ZINC000320223747 597341126 /nfs/dbraw/zinc/34/11/26/597341126.db2.gz ZSYDODQATXRNLP-LLVKDONJSA-N -1 0 332.787 3.850 20 0 EHADRM C[C@@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818120728 597341762 /nfs/dbraw/zinc/34/17/62/597341762.db2.gz MWMVEZJDFBNATF-GFCCVEGCSA-N -1 0 342.370 3.604 20 0 EHADRM CC(C)(CNC(=O)Nc1ccccc1CC(=O)[O-])Cc1ccccc1 ZINC000817842075 597342896 /nfs/dbraw/zinc/34/28/96/597342896.db2.gz OGLDAMORRIBPQZ-UHFFFAOYSA-N -1 0 340.423 3.704 20 0 EHADRM O=C([O-])CCCCCNC(=O)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000414619592 597607033 /nfs/dbraw/zinc/60/70/33/597607033.db2.gz BPLXZDZYDBBFIL-MUSGIIIZSA-N -1 0 330.428 3.519 20 0 EHADRM Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)O[C@@H](C)C(=O)[O-] ZINC000821248048 597710713 /nfs/dbraw/zinc/71/07/13/597710713.db2.gz AEUPWOSRWVNVFY-ZETCQYMHSA-N -1 0 344.150 3.587 20 0 EHADRM O=C([O-])CCCCOC(=O)c1ccc(C2SCCS2)cc1 ZINC000738572995 597821935 /nfs/dbraw/zinc/82/19/35/597821935.db2.gz DDIXCAYBVADQAH-UHFFFAOYSA-N -1 0 326.439 3.577 20 0 EHADRM CC(C)(C)[S@](=O)Cc1cccc(NC2CCC(C(=O)[O-])CC2)c1 ZINC000263457970 598110628 /nfs/dbraw/zinc/11/06/28/598110628.db2.gz HXODMJASUBPJOU-CKBDLISKSA-N -1 0 337.485 3.789 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)c2ccc(C(=O)[O-])cc2)c1C1CC1 ZINC000820272344 598158928 /nfs/dbraw/zinc/15/89/28/598158928.db2.gz AXSJAADVAQWYPO-NSHDSACASA-N -1 0 327.384 3.682 20 0 EHADRM O=C([O-])c1cccc(CNCc2csc(-c3ccc(F)cc3)n2)c1 ZINC000683176072 598194131 /nfs/dbraw/zinc/19/41/31/598194131.db2.gz FDJYVQAJBBFKIJ-UHFFFAOYSA-N -1 0 342.395 3.937 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC000738120173 599704864 /nfs/dbraw/zinc/70/48/64/599704864.db2.gz JRSRINNBIJONQN-ACCUITESSA-N -1 0 326.348 3.540 20 0 EHADRM CCCC[C@@H](Sc1nnc(-c2ccccc2OC)n1CC)C(=O)[O-] ZINC000736986446 599710898 /nfs/dbraw/zinc/71/08/98/599710898.db2.gz WTXFNAUVTATBBL-CQSZACIVSA-N -1 0 349.456 3.709 20 0 EHADRM O=C([O-])[C@@H](N[C@@H](c1nccs1)c1ccccc1)c1ccc(F)cc1 ZINC000739504559 599715028 /nfs/dbraw/zinc/71/50/28/599715028.db2.gz ZTWUHHHUHWSSLF-CVEARBPZSA-N -1 0 342.395 3.787 20 0 EHADRM C[C@@H](Cc1cccs1)NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736628376 599716402 /nfs/dbraw/zinc/71/64/02/599716402.db2.gz CJZACGSLTPGROT-VIFPVBQESA-N -1 0 337.376 3.730 20 0 EHADRM CCC[C@](C)(NC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000346004575 599717508 /nfs/dbraw/zinc/71/75/08/599717508.db2.gz DNNMLDBEIFFWGC-QKLQHJQFSA-N -1 0 325.408 3.703 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CSc1nnc(Cc2cccc(F)c2)o1 ZINC000738966403 599731678 /nfs/dbraw/zinc/73/16/78/599731678.db2.gz SVPAKIDSWIZLRP-UHFFFAOYSA-N -1 0 348.355 3.691 20 0 EHADRM CCC[C@@](C)(NC(=O)/C=C/c1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000736954496 599733104 /nfs/dbraw/zinc/73/31/04/599733104.db2.gz LQGDISXYJFBQRH-YVNCXZRQSA-N -1 0 345.439 3.781 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)/C=C/c1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000736870115 599745148 /nfs/dbraw/zinc/74/51/48/599745148.db2.gz JIJNWZTVQHZUBZ-HBBBSCFVSA-N -1 0 345.439 3.637 20 0 EHADRM CC(C)N(Cc1cccs1)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000324353539 599756070 /nfs/dbraw/zinc/75/60/70/599756070.db2.gz GJAYNJNJJWEYMT-UHFFFAOYSA-N -1 0 348.424 3.654 20 0 EHADRM CCc1cccc2c1OCC[C@@H]2NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000737273073 599756393 /nfs/dbraw/zinc/75/63/93/599756393.db2.gz WPJRTJGSICOQFN-INIZCTEOSA-N -1 0 340.379 3.593 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)CCc2ccccc2Cl)cc1 ZINC000238028333 599767052 /nfs/dbraw/zinc/76/70/52/599767052.db2.gz KXRPYELNRYEKSP-UHFFFAOYSA-N -1 0 331.799 3.929 20 0 EHADRM CC(C)c1ccc(C(C)(C)NC(=O)c2cccc(C(=O)[O-])n2)cc1 ZINC000736512241 599774773 /nfs/dbraw/zinc/77/47/73/599774773.db2.gz GGYVUJGHYKGJSV-UHFFFAOYSA-N -1 0 326.396 3.568 20 0 EHADRM CC[C@H](C)[C@H](C)N(C(=O)Cn1cc(C(=O)[O-])c2ccccc21)C1CC1 ZINC000736871991 599774883 /nfs/dbraw/zinc/77/48/83/599774883.db2.gz YNGGGDFZZCRWAN-KBPBESRZSA-N -1 0 342.439 3.765 20 0 EHADRM CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000736904506 599789083 /nfs/dbraw/zinc/78/90/83/599789083.db2.gz COQAUQMKYAQQIH-CQSZACIVSA-N -1 0 330.359 3.667 20 0 EHADRM Cc1ccc2[nH]c3c(c2c1)CN(Cc1ccc(F)cc1C(=O)[O-])CC3 ZINC000738667862 599796163 /nfs/dbraw/zinc/79/61/63/599796163.db2.gz VKJYKGZJAODNIR-UHFFFAOYSA-N -1 0 338.382 3.872 20 0 EHADRM Cc1ccc(CN(C)C(=O)c2ccccc2S[C@@H](C)C(=O)[O-])s1 ZINC000237548975 599798532 /nfs/dbraw/zinc/79/85/32/599798532.db2.gz OQIWVRMTQIOOND-LBPRGKRZSA-N -1 0 349.477 3.894 20 0 EHADRM Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)CCC(=O)[O-] ZINC000179078620 599800360 /nfs/dbraw/zinc/80/03/60/599800360.db2.gz SCQCOQDYABPIMK-CQSZACIVSA-N -1 0 327.380 3.938 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CC2CCCC2)c(OCC(F)(F)F)c1 ZINC000621553329 599800404 /nfs/dbraw/zinc/80/04/04/599800404.db2.gz WKLYVMXQHRRYCX-UHFFFAOYSA-N -1 0 345.317 3.845 20 0 EHADRM O=C([O-])CSCCC(=O)O[C@H](c1ccccc1)c1cccc(F)c1 ZINC000739852750 599801116 /nfs/dbraw/zinc/80/11/16/599801116.db2.gz NCIHPOAHOCLMQL-GOSISDBHSA-N -1 0 348.395 3.666 20 0 EHADRM O=C([O-])c1ccc2c(=O)[nH]c(C=Cc3cc4ccccc4o3)nc2c1 ZINC000740189259 599801580 /nfs/dbraw/zinc/80/15/80/599801580.db2.gz IGXDDKCBGIUGSO-VURMDHGXSA-N -1 0 332.315 3.950 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)c1ccc(C(F)F)cc1 ZINC000740243591 599809600 /nfs/dbraw/zinc/80/96/00/599809600.db2.gz ZEOINDJEAHFCQE-UHFFFAOYSA-N -1 0 331.318 3.915 20 0 EHADRM Cc1cc(C(=O)NC(C)(C)C(=O)[O-])sc1-c1cccc(Cl)c1 ZINC000738205085 599809838 /nfs/dbraw/zinc/80/98/38/599809838.db2.gz XMTRBQKPYOFLCV-UHFFFAOYSA-N -1 0 337.828 3.970 20 0 EHADRM CCN(CC)c1ccc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000392736597 599811127 /nfs/dbraw/zinc/81/11/27/599811127.db2.gz PFRHGPISZPZYMR-UHFFFAOYSA-N -1 0 340.423 3.802 20 0 EHADRM O=C([O-])C1(NC(=O)CC2CCC(c3ccccc3)CC2)CCCC1 ZINC000739218356 599813821 /nfs/dbraw/zinc/81/38/21/599813821.db2.gz JWRQNGOPKORXOW-UHFFFAOYSA-N -1 0 329.440 3.864 20 0 EHADRM CCC[C@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000621552769 599817345 /nfs/dbraw/zinc/81/73/45/599817345.db2.gz CJMWOSMCEBIEMN-VIFPVBQESA-N -1 0 333.306 3.701 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1)C(C)(C)c1ccccc1 ZINC000736649873 599819696 /nfs/dbraw/zinc/81/96/96/599819696.db2.gz XHQBGAMGTDDBJC-ZDUSSCGKSA-N -1 0 326.396 3.873 20 0 EHADRM Cc1ccccc1OCCCNC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000738785536 599821624 /nfs/dbraw/zinc/82/16/24/599821624.db2.gz WQXKBQCVXDSGOK-UHFFFAOYSA-N -1 0 342.395 3.592 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)NC2(c3ccc(F)cc3)CC2)ccc1F ZINC000740006728 599822088 /nfs/dbraw/zinc/82/20/88/599822088.db2.gz WELFVCXKUPMPCW-UHFFFAOYSA-N -1 0 347.321 3.866 20 0 EHADRM O=C([O-])[C@@H](NC(=O)C[C@@H]1CCCc2ccccc21)c1cccs1 ZINC000448996399 599823142 /nfs/dbraw/zinc/82/31/42/599823142.db2.gz RSSQZMDEGRCOSU-GUYCJALGSA-N -1 0 329.421 3.500 20 0 EHADRM CC(C)c1ccc(C2(C(=O)N3CCC[C@H](C(=O)[O-])C3)CCCC2)cc1 ZINC000736512662 599824435 /nfs/dbraw/zinc/82/44/35/599824435.db2.gz LHAVARPMKVYHDK-KRWDZBQOSA-N -1 0 343.467 3.945 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccccc1 ZINC000325566345 599824827 /nfs/dbraw/zinc/82/48/27/599824827.db2.gz XYOBZRVJCRPFRM-QGZVFWFLSA-N -1 0 326.396 3.977 20 0 EHADRM CN(Cc1cccc(F)c1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000325889606 599825979 /nfs/dbraw/zinc/82/59/79/599825979.db2.gz RKYGZMFUKJOOHZ-UHFFFAOYSA-N -1 0 330.359 3.507 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N(C)C(C)(C)C(=O)[O-] ZINC000263283072 599826108 /nfs/dbraw/zinc/82/61/08/599826108.db2.gz SQKRWCYHFUCEPN-UHFFFAOYSA-N -1 0 325.364 3.830 20 0 EHADRM CN(C(=O)c1sc2cc(F)ccc2c1Cl)C(C)(C)C(=O)[O-] ZINC000061150440 599828038 /nfs/dbraw/zinc/82/80/38/599828038.db2.gz IVTIEUWXVLJZQI-UHFFFAOYSA-N -1 0 329.780 3.629 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000736648692 599828207 /nfs/dbraw/zinc/82/82/07/599828207.db2.gz INCJVOKGWSRRAC-LLVKDONJSA-N -1 0 348.349 3.865 20 0 EHADRM Cc1ccccc1[C@@H](C)NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000325364064 599828224 /nfs/dbraw/zinc/82/82/24/599828224.db2.gz AFCIRGXJIBVUTI-CQSZACIVSA-N -1 0 326.396 3.895 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)c1cccc3c1CCC3)CCC2 ZINC000739490995 599835428 /nfs/dbraw/zinc/83/54/28/599835428.db2.gz TYOJSGQAQHSJMA-UHFFFAOYSA-N -1 0 327.405 3.676 20 0 EHADRM CN(Cc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000390968867 599836121 /nfs/dbraw/zinc/83/61/21/599836121.db2.gz OBXVDEMOIOXFDG-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM Cc1oc(-c2cccs2)nc1C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000738387998 599837828 /nfs/dbraw/zinc/83/78/28/599837828.db2.gz JYLPKUIOKYSWTK-UHFFFAOYSA-N -1 0 342.376 3.686 20 0 EHADRM CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000736376926 599842026 /nfs/dbraw/zinc/84/20/26/599842026.db2.gz QAILTIGJQPUIIC-MRXNPFEDSA-N -1 0 327.384 3.661 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(C)ccc2F)cc1 ZINC000237351448 599843988 /nfs/dbraw/zinc/84/39/88/599843988.db2.gz SKJWTMGGGFAGEL-MRXNPFEDSA-N -1 0 347.411 3.802 20 0 EHADRM COc1cccc2cc(C(=O)Nc3cccc(F)c3C(=O)[O-])oc21 ZINC000738114243 599844150 /nfs/dbraw/zinc/84/41/50/599844150.db2.gz UHEBWLUWTICUIJ-UHFFFAOYSA-N -1 0 329.283 3.531 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000325063872 599847317 /nfs/dbraw/zinc/84/73/17/599847317.db2.gz UWOGLMZJXROYRE-UHFFFAOYSA-N -1 0 341.260 3.724 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)CCc2ccccc2)cc1 ZINC000237357271 599848820 /nfs/dbraw/zinc/84/88/20/599848820.db2.gz UMPCKNMEPFDADT-KRWDZBQOSA-N -1 0 343.448 3.673 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)Cn1cnc2ccccc21 ZINC000739360707 599849788 /nfs/dbraw/zinc/84/97/88/599849788.db2.gz GDSXICIKKYPVGD-UHFFFAOYSA-N -1 0 345.358 3.526 20 0 EHADRM Cc1c(Cl)cccc1NC(=O)CNc1ccc(CCC(=O)[O-])cc1 ZINC000738290393 599857689 /nfs/dbraw/zinc/85/76/89/599857689.db2.gz AVQGCPCTOWAHMF-UHFFFAOYSA-N -1 0 346.814 3.716 20 0 EHADRM Cc1ccccc1CC(C)(C)NC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000738769371 599863098 /nfs/dbraw/zinc/86/30/98/599863098.db2.gz VJGIVYFTQZFMNQ-UHFFFAOYSA-N -1 0 344.386 3.975 20 0 EHADRM CC(C)Oc1cccc(COC(=O)c2ccccc2NC(=O)[O-])c1 ZINC000736494956 599866498 /nfs/dbraw/zinc/86/64/98/599866498.db2.gz SLKLGELETGNTIA-UHFFFAOYSA-N -1 0 329.352 3.921 20 0 EHADRM CC(C)(C)SCC(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000736287306 599869447 /nfs/dbraw/zinc/86/94/47/599869447.db2.gz MZHZSEGTBZBIIW-UHFFFAOYSA-N -1 0 337.466 3.747 20 0 EHADRM CCCO[C@@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])ccc2C)CC1 ZINC000737027610 599870760 /nfs/dbraw/zinc/87/07/60/599870760.db2.gz GAKVAYXFPMBXPY-OAHLLOKOSA-N -1 0 334.416 3.506 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)c1c(F)cccc1F ZINC000676019791 599871481 /nfs/dbraw/zinc/87/14/81/599871481.db2.gz YYMJDWGRSHAYFY-UHFFFAOYSA-N -1 0 347.342 3.808 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)c1cc(Cl)ccn1 ZINC000739435962 599872859 /nfs/dbraw/zinc/87/28/59/599872859.db2.gz KODAGJXYZMVBSH-UHFFFAOYSA-N -1 0 346.795 3.578 20 0 EHADRM O=C([O-])c1coc(COC(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000739341854 599877932 /nfs/dbraw/zinc/87/79/32/599877932.db2.gz PAMUCIONERVYBD-UHFFFAOYSA-N -1 0 329.135 3.571 20 0 EHADRM O=C([O-])c1coc(COC(=O)c2cc(Cl)nc3ccccc32)c1 ZINC000740270559 599880885 /nfs/dbraw/zinc/88/08/85/599880885.db2.gz MPJIQEVYIIBSAF-UHFFFAOYSA-N -1 0 331.711 3.536 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000729830463 599884450 /nfs/dbraw/zinc/88/44/50/599884450.db2.gz SYFMLAYSXJGZCD-RUMSDORHSA-N -1 0 345.439 3.781 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C/C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000729830461 599884691 /nfs/dbraw/zinc/88/46/91/599884691.db2.gz SYFMLAYSXJGZCD-AYJWMTRPSA-N -1 0 345.439 3.781 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C\C(=O)Nc1ncc(C(=O)[O-])s1 ZINC000736892119 599885267 /nfs/dbraw/zinc/88/52/67/599885267.db2.gz TUJKFMFBHCRLIZ-TYBABMIJSA-N -1 0 346.408 3.671 20 0 EHADRM CCC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000736971416 599886123 /nfs/dbraw/zinc/88/61/23/599886123.db2.gz BKNUEVIZOHQIQC-BBRMVZONSA-N -1 0 334.416 3.630 20 0 EHADRM Cc1ccc2c(c1C)OC[C@@H]2NC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000738670520 599887780 /nfs/dbraw/zinc/88/77/80/599887780.db2.gz MBXNFVUQVWJYME-HNNXBMFYSA-N -1 0 341.367 3.649 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)o1 ZINC000740133632 599893615 /nfs/dbraw/zinc/89/36/15/599893615.db2.gz NTUNKFNGBAZMPR-SJORKVTESA-N -1 0 336.343 3.978 20 0 EHADRM CN(Cc1c(F)cccc1Cl)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000737454355 599894925 /nfs/dbraw/zinc/89/49/25/599894925.db2.gz MXOHKDZLTPUCIX-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM CCOc1ccc(OCC)c(NC(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000737204296 599896357 /nfs/dbraw/zinc/89/63/57/599896357.db2.gz YDXRMTOANACHLP-UHFFFAOYSA-N -1 0 344.367 3.826 20 0 EHADRM O=C([O-])c1cnc(NC(=O)C[C@@H](c2ccccc2)C(F)(F)F)s1 ZINC000739215767 599899193 /nfs/dbraw/zinc/89/91/93/599899193.db2.gz FTTGGZZSFGQEHP-VIFPVBQESA-N -1 0 344.314 3.516 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2cccc(OC(F)(F)F)c2)c1 ZINC000740037561 599902053 /nfs/dbraw/zinc/90/20/53/599902053.db2.gz WAVZLGXFWWAWGX-UHFFFAOYSA-N -1 0 340.257 3.927 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2cscn2)c2ccccc2)cc1 ZINC000740104879 599904728 /nfs/dbraw/zinc/90/47/28/599904728.db2.gz BDDNYDSMGNGWKQ-UHFFFAOYSA-N -1 0 338.388 3.688 20 0 EHADRM CC(C)(C)n1nnnc1SCc1c2ccccc2sc1C(=O)[O-] ZINC000736310741 599908326 /nfs/dbraw/zinc/90/83/26/599908326.db2.gz UMWNAALZRDVHQY-UHFFFAOYSA-N -1 0 348.453 3.633 20 0 EHADRM CC(C)OCc1ccc(NC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000736486400 599909504 /nfs/dbraw/zinc/90/95/04/599909504.db2.gz SXTACBHZPHDUSJ-UHFFFAOYSA-N -1 0 328.368 3.954 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)NCCCc2ccc(Cl)cc2)c1 ZINC000740031608 599911513 /nfs/dbraw/zinc/91/15/13/599911513.db2.gz PTXLPFVLMKBNPZ-UHFFFAOYSA-N -1 0 332.787 3.793 20 0 EHADRM C[C@H](CC(=O)N1CCCc2c(C(=O)[O-])cccc21)c1ccccc1F ZINC000736544381 599912895 /nfs/dbraw/zinc/91/28/95/599912895.db2.gz FCLGXGCFKLSSBP-CYBMUJFWSA-N -1 0 341.382 3.997 20 0 EHADRM C[C@@H](NC(=O)c1cccc(NC(=O)[O-])c1)C(C)(C)c1ccccc1 ZINC000736658248 599913216 /nfs/dbraw/zinc/91/32/16/599913216.db2.gz HKNACAJKYMWYPZ-CYBMUJFWSA-N -1 0 326.396 3.873 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)c2cccc3c2CCC3)c1 ZINC000263318820 599918891 /nfs/dbraw/zinc/91/88/91/599918891.db2.gz ZXAGSBLEBIVCGQ-UHFFFAOYSA-N -1 0 341.432 3.745 20 0 EHADRM Cc1oc(CN(C)C(=O)C[C@H](C)c2ccccc2F)cc1C(=O)[O-] ZINC000262490166 599927809 /nfs/dbraw/zinc/92/78/09/599927809.db2.gz LWARCUBQOJATMI-NSHDSACASA-N -1 0 333.359 3.578 20 0 EHADRM O=C([O-])CC[C@H](NC(=S)Nc1ccccc1F)c1ccccc1 ZINC000739662749 599927823 /nfs/dbraw/zinc/92/78/23/599927823.db2.gz YCMNVLQVRWOXTI-AWEZNQCLSA-N -1 0 332.400 3.718 20 0 EHADRM CC1(C)Cc2cc(C(=O)NCCCC(=O)[O-])sc2-c2ccccc21 ZINC000736737251 599927931 /nfs/dbraw/zinc/92/79/31/599927931.db2.gz LHRMJTZDOVJDCC-UHFFFAOYSA-N -1 0 343.448 3.843 20 0 EHADRM CCSc1ccc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)cn1 ZINC000737229028 599930824 /nfs/dbraw/zinc/93/08/24/599930824.db2.gz HAAKXLGPHBFWRA-HNNXBMFYSA-N -1 0 344.436 3.530 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2CCC[C@H]2c2cccc(F)c2)c1 ZINC000740027425 599932794 /nfs/dbraw/zinc/93/27/94/599932794.db2.gz UGNGVOCANMOLET-INIZCTEOSA-N -1 0 328.343 3.893 20 0 EHADRM Cc1cccc(CCC(=O)N[C@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000195257014 599934101 /nfs/dbraw/zinc/93/41/01/599934101.db2.gz JMJYCGOKLQLSFU-GOSISDBHSA-N -1 0 325.408 3.650 20 0 EHADRM COc1ccc(C(=O)[O-])c(OCc2nc(-c3ccsc3)oc2C)c1 ZINC000737950137 599936263 /nfs/dbraw/zinc/93/62/63/599936263.db2.gz YKGPUIGUXWKWFB-UHFFFAOYSA-N -1 0 345.376 3.997 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)CCSc1ccccc1)c1ccccc1 ZINC000261851439 599937997 /nfs/dbraw/zinc/93/79/97/599937997.db2.gz JLRBRBIXAATJCO-KRWDZBQOSA-N -1 0 343.448 3.891 20 0 EHADRM Cc1nc([C@H]2CCCN2Cc2c3ccccc3sc2C(=O)[O-])no1 ZINC000738850090 599937963 /nfs/dbraw/zinc/93/79/63/599937963.db2.gz LDIIUZDAZCKTHR-CYBMUJFWSA-N -1 0 343.408 3.628 20 0 EHADRM Cc1cc(NC(=O)CCC(=O)c2ccc(Cl)cc2)ccc1C(=O)[O-] ZINC000237697200 599950245 /nfs/dbraw/zinc/95/02/45/599950245.db2.gz SWRGIRBQXNHBDU-UHFFFAOYSA-N -1 0 345.782 3.948 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)c1cc2c(cccc2F)[nH]1)c1ccccc1 ZINC000139338408 599952142 /nfs/dbraw/zinc/95/21/42/599952142.db2.gz KBRPVBXEKSSVDQ-HNNXBMFYSA-N -1 0 340.354 3.643 20 0 EHADRM O=C([O-])c1occc1COC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000740281628 599953706 /nfs/dbraw/zinc/95/37/06/599953706.db2.gz NKBGYKCJNFSDIX-IRXDYDNUSA-N -1 0 336.343 3.978 20 0 EHADRM O=C([O-])[C@@H](NC(=O)/C=C\Sc1ccccc1)c1cc(F)ccc1F ZINC000739214425 599976420 /nfs/dbraw/zinc/97/64/20/599976420.db2.gz DVGXAJZHAAVFAF-QWGSZXSUSA-N -1 0 349.358 3.513 20 0 EHADRM Cc1cccc(C2(CNC(=O)[C@@H](CC(C)C)NC(=O)[O-])CCCC2)c1 ZINC000738688258 599992205 /nfs/dbraw/zinc/99/22/05/599992205.db2.gz XTDKDLWDEPXGSW-QGZVFWFLSA-N -1 0 346.471 3.605 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1c[nH]c2cc(Cl)ccc12)c1cccs1 ZINC000739628592 599997183 /nfs/dbraw/zinc/99/71/83/599997183.db2.gz QYLPYVGVULXITQ-CYBMUJFWSA-N -1 0 348.811 3.829 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)OCc2cc(-c3ccccc3)no2)c1 ZINC000740040392 599999477 /nfs/dbraw/zinc/99/94/77/599999477.db2.gz VMNYNRTZBZOWTE-UHFFFAOYSA-N -1 0 338.319 3.789 20 0 EHADRM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000325267663 600007670 /nfs/dbraw/zinc/00/76/70/600007670.db2.gz PPTYJTICRZBOAS-HZMBPMFUSA-N -1 0 340.370 3.999 20 0 EHADRM Cc1cc(NC(=O)N[C@@H]2CCc3cc(F)ccc32)ccc1C(=O)[O-] ZINC000738442755 600011633 /nfs/dbraw/zinc/01/16/33/600011633.db2.gz QGCLCHYMTFXIBD-MRXNPFEDSA-N -1 0 328.343 3.641 20 0 EHADRM Cc1cc(NC(=O)NC[C@H](C)c2ccc(F)cc2)ccc1C(=O)[O-] ZINC000738440158 600012619 /nfs/dbraw/zinc/01/26/19/600012619.db2.gz DULLLMOVCOVUKF-LBPRGKRZSA-N -1 0 330.359 3.758 20 0 EHADRM CC[C@H](CNC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000736903954 600013056 /nfs/dbraw/zinc/01/30/56/600013056.db2.gz DIGDRSLEQISCPD-CQSZACIVSA-N -1 0 338.407 3.604 20 0 EHADRM CCCCCCOc1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000013170684 600013565 /nfs/dbraw/zinc/01/35/65/600013565.db2.gz YWTIPNAGBVQHIM-MRXNPFEDSA-N -1 0 333.428 3.583 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)c2occc2CSc2ccccc2)C1 ZINC000261847834 600015844 /nfs/dbraw/zinc/01/58/44/600015844.db2.gz PTEBWTARBKBMIX-CYBMUJFWSA-N -1 0 345.420 3.509 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)C2(c3cccc(Cl)c3)CCCCC2)C1 ZINC000507696636 600016697 /nfs/dbraw/zinc/01/66/97/600016697.db2.gz FVQNEHABSCRCDJ-CQSZACIVSA-N -1 0 349.858 3.865 20 0 EHADRM CCC1CCC(CNC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)CC1 ZINC000326170428 600020582 /nfs/dbraw/zinc/02/05/82/600020582.db2.gz NSWIKPILHPUHLT-UHFFFAOYSA-N -1 0 330.428 3.626 20 0 EHADRM C[C@H](OC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1)c1ccc(C(=O)[O-])o1 ZINC000736685178 600020816 /nfs/dbraw/zinc/02/08/16/600020816.db2.gz OOMQFLDTCYHAEY-GDPRMGEGSA-N -1 0 336.290 3.664 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000740132024 600021386 /nfs/dbraw/zinc/02/13/86/600021386.db2.gz BUFWPMADIARIEJ-KBPBESRZSA-N -1 0 332.302 3.510 20 0 EHADRM CC(C)[C@@H]1CCCC[C@H]1NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000326095232 600023428 /nfs/dbraw/zinc/02/34/28/600023428.db2.gz BFQPRJIHQNCERR-DLBZAZTESA-N -1 0 330.428 3.625 20 0 EHADRM O=C([O-])C1CCC(NC(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)CC1 ZINC000263226576 600023669 /nfs/dbraw/zinc/02/36/69/600023669.db2.gz LWQNQQDZKLLMKL-BDVYOWHSSA-N -1 0 348.418 3.610 20 0 EHADRM CC(C)COc1ccccc1C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000736448755 600026813 /nfs/dbraw/zinc/02/68/13/600026813.db2.gz QNIUXPQJADDYQM-UHFFFAOYSA-N -1 0 328.364 3.568 20 0 EHADRM O=C([O-])C1CCC(NC(=O)N2CCCCC[C@@H]2c2ccccc2)CC1 ZINC000263453052 600027084 /nfs/dbraw/zinc/02/70/84/600027084.db2.gz GSGREQWRYDJTAT-DAWZGUTISA-N -1 0 344.455 3.957 20 0 EHADRM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000738400144 600027292 /nfs/dbraw/zinc/02/72/92/600027292.db2.gz YOFQHFCCIXQWKE-GFCCVEGCSA-N -1 0 348.782 3.648 20 0 EHADRM CC(C)(C)CN(Cc1ccccc1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263503576 600028914 /nfs/dbraw/zinc/02/89/14/600028914.db2.gz WHXBDIRTDKULCD-UHFFFAOYSA-N -1 0 346.471 3.888 20 0 EHADRM Cc1ccc(Nc2ccccc2C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000128499461 600030988 /nfs/dbraw/zinc/03/09/88/600030988.db2.gz SZFRMLOYUCUBJZ-HNNXBMFYSA-N -1 0 338.407 3.675 20 0 EHADRM CCC(=O)c1ccc(OC(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000736849841 600033395 /nfs/dbraw/zinc/03/33/95/600033395.db2.gz XSOSIHNKPSBWEZ-UHFFFAOYSA-N -1 0 326.348 3.516 20 0 EHADRM CCc1ccc(CN(C)C(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000237171974 600033718 /nfs/dbraw/zinc/03/37/18/600033718.db2.gz GLPIWJZYEMRIGI-UHFFFAOYSA-N -1 0 325.408 3.538 20 0 EHADRM CCC[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000236835264 600034962 /nfs/dbraw/zinc/03/49/62/600034962.db2.gz NJXHEZQQSJIQGV-GOSISDBHSA-N -1 0 325.408 3.975 20 0 EHADRM Cc1oc(COC(=O)Cc2ccc(OCC(C)C)cc2)cc1C(=O)[O-] ZINC000738983529 600035517 /nfs/dbraw/zinc/03/55/17/600035517.db2.gz RZOZDFVGJZTUKN-UHFFFAOYSA-N -1 0 346.379 3.607 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc3[nH]c(C(F)F)nc3c2)s1 ZINC000739468051 600035626 /nfs/dbraw/zinc/03/56/26/600035626.db2.gz BFMMBIGJRITIGO-UHFFFAOYSA-N -1 0 337.307 3.513 20 0 EHADRM Cc1c(NC(=O)Cc2ccc(OCC(C)C)cc2)cccc1C(=O)[O-] ZINC000675966322 600036946 /nfs/dbraw/zinc/03/69/46/600036946.db2.gz LNOHBSCCGAAMBA-UHFFFAOYSA-N -1 0 341.407 3.909 20 0 EHADRM CCc1cccc2c(CC(=O)Nc3ccc(CC(=O)[O-])cc3)c[nH]c21 ZINC000347105105 600036958 /nfs/dbraw/zinc/03/69/58/600036958.db2.gz BCWAVKCFCMQWHS-UHFFFAOYSA-N -1 0 336.391 3.539 20 0 EHADRM CC(C)COc1cccc(NC(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000736447610 600040262 /nfs/dbraw/zinc/04/02/62/600040262.db2.gz DADPIZHBMMVZOV-UHFFFAOYSA-N -1 0 341.407 3.991 20 0 EHADRM Cc1ccc(C)c(SCC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000326161025 600041156 /nfs/dbraw/zinc/04/11/56/600041156.db2.gz LKQNDELIAZXEMZ-UHFFFAOYSA-N -1 0 341.432 3.636 20 0 EHADRM CC(C)(CNC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccccc1F ZINC000236651246 600042696 /nfs/dbraw/zinc/04/26/96/600042696.db2.gz XSPKGBUOMGJTKD-UHFFFAOYSA-N -1 0 343.398 3.551 20 0 EHADRM CC[C@H](CC(=O)Nc1nc2nc(C)cc(C(=O)[O-])c2s1)C(C)C ZINC000736891838 600049036 /nfs/dbraw/zinc/04/90/36/600049036.db2.gz GGLPANHKGFAGQP-SNVBAGLBSA-N -1 0 335.429 3.709 20 0 EHADRM COc1cccc(NC(=S)Nc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000738105934 600057185 /nfs/dbraw/zinc/05/71/85/600057185.db2.gz GPBHHTKSEBFZMF-UHFFFAOYSA-N -1 0 335.360 3.733 20 0 EHADRM O=C([O-])c1cc(F)ccc1COc1ccc([N+](=O)[O-])cc1Cl ZINC000316355588 600057902 /nfs/dbraw/zinc/05/79/02/600057902.db2.gz FUBJZNGZUWBJCN-UHFFFAOYSA-N -1 0 325.679 3.665 20 0 EHADRM O=C([O-])c1cc(F)ccc1CSc1ccc(Br)cn1 ZINC000079450930 600058102 /nfs/dbraw/zinc/05/81/02/600058102.db2.gz RXLPIZHILVXEEQ-UHFFFAOYSA-N -1 0 342.189 3.974 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N[C@@H](C(=O)[O-])C(C)C)c(F)c2)cc1 ZINC000236713229 600058866 /nfs/dbraw/zinc/05/88/66/600058866.db2.gz KDJZAZYZEXLSFI-QGZVFWFLSA-N -1 0 329.371 3.640 20 0 EHADRM CC/C(=C\C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])c1ccccc1 ZINC000736834196 600061926 /nfs/dbraw/zinc/06/19/26/600061926.db2.gz GYMCJXRZFJMBEG-LLLGYDHXSA-N -1 0 335.403 3.518 20 0 EHADRM Cc1ccc(NC(=O)c2cc(F)c(Cl)nc2Cl)c(C(=O)[O-])c1 ZINC000738627518 600062339 /nfs/dbraw/zinc/06/23/39/600062339.db2.gz OOWHCNFADKSLIG-UHFFFAOYSA-N -1 0 343.141 3.786 20 0 EHADRM CC[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F)c1ccccc1 ZINC000736891454 600063244 /nfs/dbraw/zinc/06/32/44/600063244.db2.gz BGBMFTHYZHVYSE-KPZWWZAWSA-N -1 0 347.361 3.791 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2nnc(CC3CCCCC3)s2)cc1 ZINC000740120466 600069491 /nfs/dbraw/zinc/06/94/91/600069491.db2.gz JHNJZPDXHZDUGA-UHFFFAOYSA-N -1 0 345.424 3.611 20 0 EHADRM C/C(=C\C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-])c1ccccc1Cl ZINC000736117417 600072262 /nfs/dbraw/zinc/07/22/62/600072262.db2.gz JFPJXEIWYMZLOZ-BEWRGNKGSA-N -1 0 347.842 3.988 20 0 EHADRM CCN(CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)c1ccc(Cl)cc1 ZINC000737079087 600090414 /nfs/dbraw/zinc/09/04/14/600090414.db2.gz IKTZLCKHRFCIJL-UHFFFAOYSA-N -1 0 334.803 3.692 20 0 EHADRM C[C@H](OC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1F ZINC000736693005 600092464 /nfs/dbraw/zinc/09/24/64/600092464.db2.gz LXVWSCGWDWGZNP-NSHDSACASA-N -1 0 334.318 3.900 20 0 EHADRM CSCc1cccc(NC(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)c1 ZINC000738196409 600097959 /nfs/dbraw/zinc/09/79/59/600097959.db2.gz PXXXOUDRLOFTBA-UHFFFAOYSA-N -1 0 348.424 3.813 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)c1ccc(Cl)c(Cl)c1O ZINC000738966440 600109770 /nfs/dbraw/zinc/10/97/70/600109770.db2.gz ULYQZOMJCXTLEW-UHFFFAOYSA-N -1 0 345.134 3.656 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)CCc1ccccc1Cl ZINC000739259555 600112138 /nfs/dbraw/zinc/11/21/38/600112138.db2.gz RGLUGROMCZJDLH-UHFFFAOYSA-N -1 0 336.746 3.853 20 0 EHADRM CCCc1nc(C)c(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)s1 ZINC000737050964 600112287 /nfs/dbraw/zinc/11/22/87/600112287.db2.gz OCGUEEMLWJAFHU-UHFFFAOYSA-N -1 0 329.381 3.819 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736492498 600112363 /nfs/dbraw/zinc/11/23/63/600112363.db2.gz ALLWJEGYSKHIHQ-UHFFFAOYSA-N -1 0 340.379 3.720 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)N2CCCc3ccccc3C2)c1 ZINC000324935681 600112413 /nfs/dbraw/zinc/11/24/13/600112413.db2.gz WBXGIKNQUZDDGJ-UHFFFAOYSA-N -1 0 328.343 3.504 20 0 EHADRM Cc1ccc2[nH]c(C(=O)OCc3ccc(F)cc3C(=O)[O-])cc2c1 ZINC000738667252 600112910 /nfs/dbraw/zinc/11/29/10/600112910.db2.gz HHCSDCDHWQNPJG-UHFFFAOYSA-N -1 0 327.311 3.671 20 0 EHADRM CCSc1cc(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)ccn1 ZINC000737231781 600114531 /nfs/dbraw/zinc/11/45/31/600114531.db2.gz SBOSBCSQOSLOHV-UHFFFAOYSA-N -1 0 327.365 3.609 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)CCc1ccc(Cl)s1 ZINC000739260067 600116259 /nfs/dbraw/zinc/11/62/59/600116259.db2.gz BOJNWQMSJDHOKX-UHFFFAOYSA-N -1 0 342.775 3.915 20 0 EHADRM CC(C)[C@@H]1CCC[C@@H](NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000736394958 600120816 /nfs/dbraw/zinc/12/08/16/600120816.db2.gz MJUYGIWTGKCFCV-GHMZBOCLSA-N -1 0 340.370 3.999 20 0 EHADRM Cc1cc(NC(=O)Cc2ccc(Cl)c(Cl)c2)c(C(=O)[O-])[nH]1 ZINC000163342251 600122563 /nfs/dbraw/zinc/12/25/63/600122563.db2.gz SXSHJOXRZCMOAV-UHFFFAOYSA-N -1 0 327.167 3.509 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)c1ccc(C)c(Cl)c1 ZINC000736189332 600125111 /nfs/dbraw/zinc/12/51/11/600125111.db2.gz LAHWUIIJISEKJQ-UHFFFAOYSA-N -1 0 332.739 3.768 20 0 EHADRM Cc1cccc(-c2noc(CNc3ccc(F)c(NC(=O)[O-])c3)n2)c1 ZINC000738681823 600127512 /nfs/dbraw/zinc/12/75/12/600127512.db2.gz YUQWNWWSEDWISR-UHFFFAOYSA-N -1 0 342.330 3.886 20 0 EHADRM CC[C@@](NC(=O)c1ccc(CSC)cc1)(C(=O)[O-])c1ccccc1 ZINC000346021361 600132004 /nfs/dbraw/zinc/13/20/04/600132004.db2.gz VHAYQGPJSTWUJG-IBGZPJMESA-N -1 0 343.448 3.670 20 0 EHADRM CC[C@](NC(=O)C[C@H](C)c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000485383586 600132419 /nfs/dbraw/zinc/13/24/19/600132419.db2.gz NMFHWGJGJDEXPS-MGPUTAFESA-N -1 0 325.408 3.687 20 0 EHADRM CC[C@H](C)[C@H](C(=O)OCC(=O)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC000736869618 600134312 /nfs/dbraw/zinc/13/43/12/600134312.db2.gz GEJJYAIYJKCQJI-SJCJKPOMSA-N -1 0 344.363 3.534 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000120189887 600142289 /nfs/dbraw/zinc/14/22/89/600142289.db2.gz GJUYMRYIURGOKR-CYBMUJFWSA-N -1 0 341.407 3.909 20 0 EHADRM Cc1cc(C)c(C)c(OCCC(=O)Nc2cc(C(=O)[O-])ccc2F)c1 ZINC000237808941 600143561 /nfs/dbraw/zinc/14/35/61/600143561.db2.gz IHWKNNGLNMUYPD-UHFFFAOYSA-N -1 0 345.370 3.857 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)OCc1cc(C(=O)[O-])c(C)o1 ZINC000738126530 600143911 /nfs/dbraw/zinc/14/39/11/600143911.db2.gz WYYVGKYLQMHCQZ-LBPRGKRZSA-N -1 0 346.379 3.607 20 0 EHADRM CN(C)c1ccc([C@H]2C[C@H]2C(=O)Nc2cccc(NC(=O)[O-])c2)cc1 ZINC000737376384 600145293 /nfs/dbraw/zinc/14/52/93/600145293.db2.gz DHIDIPWYGSNZKC-IAGOWNOFSA-N -1 0 339.395 3.585 20 0 EHADRM Cc1ccc([C@H](CNC(=O)c2occc2-c2ccccc2)C(=O)[O-])cc1 ZINC000486384540 600156770 /nfs/dbraw/zinc/15/67/70/600156770.db2.gz XPGQVYYKRHFCNA-SFHVURJKSA-N -1 0 349.386 3.853 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1 ZINC000739738429 600159528 /nfs/dbraw/zinc/15/95/28/600159528.db2.gz GISYRKGDBOJKGZ-UHFFFAOYSA-N -1 0 335.306 3.730 20 0 EHADRM CC[C@](C)(NC(=O)c1sc2cc(C)ccc2c1Cl)C(=O)[O-] ZINC000736861780 600159860 /nfs/dbraw/zinc/15/98/60/600159860.db2.gz VQEXTZUWXJMMOD-HNNXBMFYSA-N -1 0 325.817 3.846 20 0 EHADRM O=C([O-])CCCCNC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000666527240 600163243 /nfs/dbraw/zinc/16/32/43/600163243.db2.gz VUGOUECGQYOXPR-MRXNPFEDSA-N -1 0 338.835 3.735 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000479578127 600167177 /nfs/dbraw/zinc/16/71/77/600167177.db2.gz KFLBARVEBBPGHB-NSHDSACASA-N -1 0 333.384 3.784 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)c(F)c1 ZINC000325008910 600167665 /nfs/dbraw/zinc/16/76/65/600167665.db2.gz BKZMXLHJZMZBGC-UHFFFAOYSA-N -1 0 341.260 3.724 20 0 EHADRM Cc1sc2ncnc(NC[C@H](C(=O)[O-])c3ccc(C)cc3)c2c1C ZINC000738570333 600167881 /nfs/dbraw/zinc/16/78/81/600167881.db2.gz ZJXLHXJCSIRMQN-AWEZNQCLSA-N -1 0 341.436 3.897 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CC[C@@H](c2ccccc2F)C1 ZINC000738534677 600172165 /nfs/dbraw/zinc/17/21/65/600172165.db2.gz ZZCDHNOWXFAYSC-CQSZACIVSA-N -1 0 342.370 3.854 20 0 EHADRM Cc1ccc([C@H](CNC(=O)Nc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000738563319 600173305 /nfs/dbraw/zinc/17/33/05/600173305.db2.gz ZLXMKGGERTWUBS-HNNXBMFYSA-N -1 0 332.787 3.638 20 0 EHADRM CC(C)c1ccc(-c2ncc(COC(=O)[C@@H]3C[C@H]3C(=O)[O-])s2)cc1 ZINC000736515200 600175984 /nfs/dbraw/zinc/17/59/84/600175984.db2.gz HUSSHXVNKMDRLV-HUUCEWRRSA-N -1 0 345.420 3.697 20 0 EHADRM CCc1cccc(C)c1NC(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC000737266698 600176035 /nfs/dbraw/zinc/17/60/35/600176035.db2.gz HLKIROOJWMHIDI-KRWDZBQOSA-N -1 0 340.423 3.856 20 0 EHADRM Cc1ccc(NC(=S)N2C[C@H](C(=O)[O-])c3ccccc32)c(C)c1 ZINC000738628924 600188932 /nfs/dbraw/zinc/18/89/32/600188932.db2.gz VQLXIMUAPKEWOZ-AWEZNQCLSA-N -1 0 326.421 3.689 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=S)Nc2ccc(Cl)cc2)c2ccccc21 ZINC000739615787 600189322 /nfs/dbraw/zinc/18/93/22/600189322.db2.gz NUXVXBRLXKEIBC-CYBMUJFWSA-N -1 0 332.812 3.725 20 0 EHADRM Cc1cccc(NC(=S)N2C[C@H](C(=O)[O-])c3ccccc32)c1C ZINC000738736696 600189376 /nfs/dbraw/zinc/18/93/76/600189376.db2.gz RUHSQTKMWPZNOZ-AWEZNQCLSA-N -1 0 326.421 3.689 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000736616971 600194635 /nfs/dbraw/zinc/19/46/35/600194635.db2.gz DTHBDOSRTONNCU-NSHDSACASA-N -1 0 333.384 3.891 20 0 EHADRM CCn1cc(CC(=O)Nc2ccc(C(=O)[O-])cc2F)c2ccccc21 ZINC000737300734 600199785 /nfs/dbraw/zinc/19/97/85/600199785.db2.gz CWENTGMUOLMULD-UHFFFAOYSA-N -1 0 340.354 3.680 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cc2ccccc2C(F)(F)F)c(F)c1 ZINC000479441837 600201640 /nfs/dbraw/zinc/20/16/40/600201640.db2.gz RSRGFLHCRZMTFQ-UHFFFAOYSA-N -1 0 341.260 3.724 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000237303291 600206561 /nfs/dbraw/zinc/20/65/61/600206561.db2.gz HQXVKRMYMQYEDW-INIZCTEOSA-N -1 0 325.408 3.602 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000237498779 600206757 /nfs/dbraw/zinc/20/67/57/600206757.db2.gz URVQGITUYGRHFC-OAHLLOKOSA-N -1 0 325.408 3.845 20 0 EHADRM C[C@@H](CC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1cccc(F)c1 ZINC000736547462 600206969 /nfs/dbraw/zinc/20/69/69/600206969.db2.gz BXBFMXCNRXMXSX-VIFPVBQESA-N -1 0 337.297 3.934 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)c(C(=O)[O-])c1 ZINC000544406806 600207034 /nfs/dbraw/zinc/20/70/34/600207034.db2.gz GGXNAWWFSYJCBZ-MNOVXSKESA-N -1 0 331.318 3.714 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OC(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000738539145 600207141 /nfs/dbraw/zinc/20/71/41/600207141.db2.gz CKIHZYDWUNZCLM-NEPJUHHUSA-N -1 0 332.302 3.681 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000738539152 600207156 /nfs/dbraw/zinc/20/71/56/600207156.db2.gz CKIHZYDWUNZCLM-NWDGAFQWSA-N -1 0 332.302 3.681 20 0 EHADRM CC[C@](NC(=O)C[C@@H](C)c1cccc(F)c1)(C(=O)[O-])c1ccccc1 ZINC000485373051 600208058 /nfs/dbraw/zinc/20/80/58/600208058.db2.gz NKNYNOYULWWUNY-JLTOFOAXSA-N -1 0 343.398 3.826 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1cccc(CSCc2ccccc2)c1 ZINC000739551272 600209442 /nfs/dbraw/zinc/20/94/42/600209442.db2.gz CJWPRIXCGMGGJJ-IAGOWNOFSA-N -1 0 341.432 3.779 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(F)cc2F)c(OC(F)F)c1 ZINC000740157153 600211763 /nfs/dbraw/zinc/21/17/63/600211763.db2.gz PNAPDJOJWILFQJ-UHFFFAOYSA-N -1 0 343.232 3.517 20 0 EHADRM CN(Cc1csc(-c2ccco2)n1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737496833 600215964 /nfs/dbraw/zinc/21/59/64/600215964.db2.gz KRZHXUMOIBGTAU-HNNXBMFYSA-N -1 0 328.393 3.661 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)CCCc2ccc(Cl)cc2)c2ccccc21 ZINC000262843290 600223064 /nfs/dbraw/zinc/22/30/64/600223064.db2.gz UZVCOTVMXQZCPA-INIZCTEOSA-N -1 0 343.810 3.878 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)Nc2ccn(-c3ccccc3)n2)c1 ZINC000740041482 600225961 /nfs/dbraw/zinc/22/59/61/600225961.db2.gz QDLLZTNKEDJRBR-UHFFFAOYSA-N -1 0 337.339 3.606 20 0 EHADRM CCOc1ccccc1NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000737217092 600232167 /nfs/dbraw/zinc/23/21/67/600232167.db2.gz BLFSBHHYPQZJKV-UHFFFAOYSA-N -1 0 333.319 3.958 20 0 EHADRM CC1(NC(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)CCCCC1 ZINC000736738246 600239878 /nfs/dbraw/zinc/23/98/78/600239878.db2.gz IUAFTDACCUSOFS-UHFFFAOYSA-N -1 0 345.443 3.829 20 0 EHADRM CC(C)[C@H](OC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccccn1 ZINC000736389498 600242490 /nfs/dbraw/zinc/24/24/90/600242490.db2.gz IXLKGFVDHFAQBX-SFHVURJKSA-N -1 0 327.380 3.653 20 0 EHADRM COc1cccc2cc(-c3nc(-c4ccc(C(=O)[O-])cc4)no3)oc21 ZINC000738111179 600246293 /nfs/dbraw/zinc/24/62/93/600246293.db2.gz ATDJIYUGXMSZKX-UHFFFAOYSA-N -1 0 336.303 3.857 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cccc(Oc2cnccn2)c1 ZINC000352295994 600246442 /nfs/dbraw/zinc/24/64/42/600246442.db2.gz UFZTVQPRASVINU-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM Cc1c(NC(=O)c2cccc(Oc3cnccn3)c2)cccc1C(=O)[O-] ZINC000683304588 600246907 /nfs/dbraw/zinc/24/69/07/600246907.db2.gz WHAZVKVJPKGWJQ-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000738084957 600248357 /nfs/dbraw/zinc/24/83/57/600248357.db2.gz KAQAGUZQLVNLEH-KBPBESRZSA-N -1 0 346.766 3.756 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1oc2c(cccc2C)c1C ZINC000738087693 600249487 /nfs/dbraw/zinc/24/94/87/600249487.db2.gz BBVQFQOVCAPCEN-UHFFFAOYSA-N -1 0 340.331 3.976 20 0 EHADRM Cc1ccc(N2CCCC2)c(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC000738615448 600249585 /nfs/dbraw/zinc/24/95/85/600249585.db2.gz ODTZOSUTJCHFAY-UHFFFAOYSA-N -1 0 342.370 3.685 20 0 EHADRM O=C([O-])c1n[nH]c2ccc(NC(=O)CCc3cc(Cl)cs3)cc21 ZINC000238148208 600256301 /nfs/dbraw/zinc/25/63/01/600256301.db2.gz KJOXDNDXWAJWRQ-UHFFFAOYSA-N -1 0 349.799 3.547 20 0 EHADRM CC(C)(C)/C=C/C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000236738426 600257490 /nfs/dbraw/zinc/25/74/90/600257490.db2.gz ZEYODSFYNZWCFR-ZGKFYVQTSA-N -1 0 339.435 3.802 20 0 EHADRM Cc1ccc([C@H](CNC(=O)c2ccc(-c3ccccc3)[nH]2)C(=O)[O-])cc1 ZINC000486415749 600259601 /nfs/dbraw/zinc/25/96/01/600259601.db2.gz ZHIRWXAPFFFGAJ-KRWDZBQOSA-N -1 0 348.402 3.588 20 0 EHADRM CCO[C@H](C)c1nc(CN2CCCc3c(C(=O)[O-])cccc32)cs1 ZINC000643054983 600260561 /nfs/dbraw/zinc/26/05/61/600260561.db2.gz OYSXVNFIATXYTC-GFCCVEGCSA-N -1 0 346.452 3.892 20 0 EHADRM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1ccccc1C(=O)[O-] ZINC000736765061 600267348 /nfs/dbraw/zinc/26/73/48/600267348.db2.gz YAJLXYSSFKKPOK-TZMCWYRMSA-N -1 0 342.370 3.934 20 0 EHADRM Cc1cc(F)cc2[nH]c(C(=O)O[C@@H](C(=O)[O-])c3ccccc3)cc21 ZINC000738396810 600267941 /nfs/dbraw/zinc/26/79/41/600267941.db2.gz LDJARCSXKKTPFH-MRXNPFEDSA-N -1 0 327.311 3.598 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)c1cc(C)ccc1N1CCCC1 ZINC000738614077 600268393 /nfs/dbraw/zinc/26/83/93/600268393.db2.gz CIGFVSVYVRGEHN-UHFFFAOYSA-N -1 0 343.379 3.552 20 0 EHADRM CC[C@H](C)N(Cc1ccccc1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263351844 600270597 /nfs/dbraw/zinc/27/05/97/600270597.db2.gz PZEOFEMCOACOEP-OOHWJJMZSA-N -1 0 332.444 3.640 20 0 EHADRM Cc1cc(COC(=O)CCc2cc(Cl)cs2)oc1C(=O)[O-] ZINC000738393296 600272040 /nfs/dbraw/zinc/27/20/40/600272040.db2.gz VIARJRSYYBOTDL-UHFFFAOYSA-N -1 0 328.773 3.677 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)NC2(c3ccccc3F)CC2)cc1 ZINC000737332052 600276479 /nfs/dbraw/zinc/27/64/79/600276479.db2.gz NOXAQKCIQWHUQZ-UHFFFAOYSA-N -1 0 343.358 3.751 20 0 EHADRM CSCC[C@@H](C)N(C)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000738186778 600277323 /nfs/dbraw/zinc/27/73/23/600277323.db2.gz APHUPAVWCNQDLM-SECBINFHSA-N -1 0 329.397 3.521 20 0 EHADRM COC(=O)c1cc(CSc2nc3ccc(C(=O)[O-])cc3o2)c(C)o1 ZINC000737651933 600277606 /nfs/dbraw/zinc/27/76/06/600277606.db2.gz ASSHFJNBZRBTGJ-UHFFFAOYSA-N -1 0 347.348 3.506 20 0 EHADRM O=C([O-])[C@H]1CC12CCN(C(=O)Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000262380481 600278270 /nfs/dbraw/zinc/27/82/70/600278270.db2.gz CPWBAJNSMLKFKS-LJQANCHMSA-N -1 0 349.430 3.609 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(C(=O)Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000262380479 600278605 /nfs/dbraw/zinc/27/86/05/600278605.db2.gz CPWBAJNSMLKFKS-IBGZPJMESA-N -1 0 349.430 3.609 20 0 EHADRM Cc1cc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c(C)n1C(C)C ZINC000192943171 600278897 /nfs/dbraw/zinc/27/88/97/600278897.db2.gz HKBNCTUWRXPCSL-INIZCTEOSA-N -1 0 326.396 3.514 20 0 EHADRM COc1ccc(NC(=S)Nc2ccc(CN(C)C(=O)[O-])cc2)cc1 ZINC000738038754 600279526 /nfs/dbraw/zinc/27/95/26/600279526.db2.gz HQMUNFRNWHYSJM-UHFFFAOYSA-N -1 0 345.424 3.614 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(C(=O)N2CCC[C@H]2C(=O)[O-])cc1F ZINC000237649917 600280197 /nfs/dbraw/zinc/28/01/97/600280197.db2.gz ZCSQFKCBAPMDHZ-KRWDZBQOSA-N -1 0 345.345 3.629 20 0 EHADRM CN(Cc1ccc(NC(=O)c2cc3c(s2)CCCC3)cc1)C(=O)[O-] ZINC000737485291 600281774 /nfs/dbraw/zinc/28/17/74/600281774.db2.gz GZDMOMWXYWZGHW-UHFFFAOYSA-N -1 0 344.436 3.989 20 0 EHADRM CC(C)Cc1nc(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cs1 ZINC000736452737 600285321 /nfs/dbraw/zinc/28/53/21/600285321.db2.gz DZBHDELMJBNINV-UHFFFAOYSA-N -1 0 347.440 3.704 20 0 EHADRM CN(Cc1ccc(NC(=O)C[C@@H]2CCc3ccccc32)cc1)C(=O)[O-] ZINC000737479304 600286724 /nfs/dbraw/zinc/28/67/24/600286724.db2.gz STVUHDCIDFLEPR-INIZCTEOSA-N -1 0 338.407 3.855 20 0 EHADRM Cc1nc2ccccc2cc1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000738873955 600291121 /nfs/dbraw/zinc/29/11/21/600291121.db2.gz GNIAWDWOFYZZBU-UHFFFAOYSA-N -1 0 335.363 3.563 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)/C=C\c2ccc(Cl)s2)cc1 ZINC000739987023 600295707 /nfs/dbraw/zinc/29/57/07/600295707.db2.gz SUKFQNKSEFOYQX-VURMDHGXSA-N -1 0 336.800 3.821 20 0 EHADRM CN(CCCC(=O)Nc1nc(/C=C\c2ccccc2)cs1)C(=O)[O-] ZINC000737433517 600298845 /nfs/dbraw/zinc/29/88/45/600298845.db2.gz QRGZRMRJEMCROU-KTKRTIGZSA-N -1 0 345.424 3.642 20 0 EHADRM CN(Cc1ccc(NC(=O)CNc2cccc(Cl)c2)cc1)C(=O)[O-] ZINC000737479697 600305384 /nfs/dbraw/zinc/30/53/84/600305384.db2.gz WQTPUJCIVMYMGE-UHFFFAOYSA-N -1 0 347.802 3.500 20 0 EHADRM Cc1ccc2cc(C(=O)Nc3ccc(CN(C)C(=O)[O-])cc3)[nH]c2c1 ZINC000738674885 600305991 /nfs/dbraw/zinc/30/59/91/600305991.db2.gz FPQRTTUNGFCBCN-UHFFFAOYSA-N -1 0 337.379 3.838 20 0 EHADRM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000568064513 600320582 /nfs/dbraw/zinc/32/05/82/600320582.db2.gz GYTZRKYTHBELEO-SSDOTTSWSA-N -1 0 345.239 3.856 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccc(F)c(F)c1)c1cccc(Cl)c1 ZINC000740298319 600323049 /nfs/dbraw/zinc/32/30/49/600323049.db2.gz KHYOFKRQHYUAEO-ZDUSSCGKSA-N -1 0 326.682 3.601 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cc(F)cc(F)c1)c1cccc(Cl)c1 ZINC000740290900 600323792 /nfs/dbraw/zinc/32/37/92/600323792.db2.gz KFZIXLFKIIGOKH-CYBMUJFWSA-N -1 0 326.682 3.601 20 0 EHADRM Cc1ccccc1CCC(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000738767570 600329842 /nfs/dbraw/zinc/32/98/42/600329842.db2.gz HRUXQHWJZQBCQX-QGZVFWFLSA-N -1 0 332.783 3.950 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccc2[nH]ccc2c1)c1cccc(Cl)c1 ZINC000740297364 600330435 /nfs/dbraw/zinc/33/04/35/600330435.db2.gz FDOJJVOPSRLKBU-OAHLLOKOSA-N -1 0 329.739 3.804 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(C(=O)Nc1cc(Cl)cc(Cl)c1)CC2 ZINC000405466261 600333206 /nfs/dbraw/zinc/33/32/06/600333206.db2.gz BUPRHFMLXRIIEP-LBPRGKRZSA-N -1 0 343.210 3.712 20 0 EHADRM CN(Cc1ccc(NC(=O)Nc2cc(F)cc(F)c2)cc1)C(=O)[O-] ZINC000737481120 600334228 /nfs/dbraw/zinc/33/42/28/600334228.db2.gz WJCWTWLUSXIFQG-UHFFFAOYSA-N -1 0 335.310 3.719 20 0 EHADRM CN(Cc1ccc(NC(=O)Nc2ccc(F)c(F)c2)cc1)C(=O)[O-] ZINC000737480413 600334400 /nfs/dbraw/zinc/33/44/00/600334400.db2.gz NJTVQJDVWHKYKH-UHFFFAOYSA-N -1 0 335.310 3.719 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)Nc2cccc(Cl)c2F)cc1 ZINC000739992898 600334906 /nfs/dbraw/zinc/33/49/06/600334906.db2.gz XORABXLMZZMOCT-UHFFFAOYSA-N -1 0 337.738 3.891 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)Oc1ccccc1 ZINC000736599689 600335661 /nfs/dbraw/zinc/33/56/61/600335661.db2.gz YTYNMDAQSOABEP-NSHDSACASA-N -1 0 348.786 3.627 20 0 EHADRM CC(C)CCc1ccc(NC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000736436051 600337489 /nfs/dbraw/zinc/33/74/89/600337489.db2.gz PARCIBIZVBQCBM-QGZVFWFLSA-N -1 0 344.455 3.994 20 0 EHADRM CC[C@@H](C)Oc1ccc(NC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000736887629 600337535 /nfs/dbraw/zinc/33/75/35/600337535.db2.gz UEHMHPFNFLRIOJ-CJNGLKHVSA-N -1 0 346.427 3.583 20 0 EHADRM CN(Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccco2)cc1)C(=O)[O-] ZINC000737482425 600346221 /nfs/dbraw/zinc/34/62/21/600346221.db2.gz MDUAKWYCYSLWKG-OAHLLOKOSA-N -1 0 343.383 3.758 20 0 EHADRM CN(Cc1ccc(NC(=O)N(C)Cc2ccc(F)cc2)cc1)C(=O)[O-] ZINC000737482379 600346261 /nfs/dbraw/zinc/34/62/61/600346261.db2.gz KVOUBXFHWFGTMV-UHFFFAOYSA-N -1 0 345.374 3.599 20 0 EHADRM CN(Cc1ccc(NC(=O)NCCC2=CCCCC2)cc1)C(=O)[O-] ZINC000737484204 600347787 /nfs/dbraw/zinc/34/77/87/600347787.db2.gz VSFJRSIVYUHPLL-UHFFFAOYSA-N -1 0 331.416 3.808 20 0 EHADRM O=C([O-])CCc1nc(CSCc2ccc(Cl)c(Cl)c2)no1 ZINC000739772503 600351301 /nfs/dbraw/zinc/35/13/01/600351301.db2.gz QQDDISHGOXXLOL-UHFFFAOYSA-N -1 0 347.223 3.827 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)CC/C=C/c2ccccc2)c1 ZINC000737939440 600368165 /nfs/dbraw/zinc/36/81/65/600368165.db2.gz IIKBCGFLIZKOOB-WEVVVXLNSA-N -1 0 326.348 3.792 20 0 EHADRM COc1ccc(CCCC(=O)Nc2cc(C)c(C(=O)[O-])s2)cc1 ZINC000737993004 600368412 /nfs/dbraw/zinc/36/84/12/600368412.db2.gz RDIQQZGBKGRXJZ-UHFFFAOYSA-N -1 0 333.409 3.725 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)OCc1cccc(C(=O)[O-])c1 ZINC000736616907 600371087 /nfs/dbraw/zinc/37/10/87/600371087.db2.gz CXXRXRBPIHXAFN-ZDUSSCGKSA-N -1 0 330.405 3.856 20 0 EHADRM Cc1cc(NC(=O)Cc2ccccc2OC(C)C)sc1C(=O)[O-] ZINC000738431736 600371958 /nfs/dbraw/zinc/37/19/58/600371958.db2.gz KVEWXXYHDVCSFL-UHFFFAOYSA-N -1 0 333.409 3.723 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000236951894 600377342 /nfs/dbraw/zinc/37/73/42/600377342.db2.gz VPGUMSHMZWZGKX-IFXJQAMLSA-N -1 0 325.408 3.685 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CC/C=C/c1ccccc1)c1cc(F)ccc1F ZINC000739234572 600377628 /nfs/dbraw/zinc/37/76/28/600377628.db2.gz HJUVUVBUSQBIBE-PYJQOMOHSA-N -1 0 345.345 3.700 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000236736638 600379051 /nfs/dbraw/zinc/37/90/51/600379051.db2.gz BHBYWQCWXNKCGJ-LBPRGKRZSA-N -1 0 345.361 3.911 20 0 EHADRM CC[C@H](CC(=O)N(CC(=O)[O-])c1ccccc1)c1ccc(C)cc1 ZINC000736893100 600380249 /nfs/dbraw/zinc/38/02/49/600380249.db2.gz VAXNEPHHIQHEMZ-MRXNPFEDSA-N -1 0 325.408 3.997 20 0 EHADRM C[C@H](CN(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccccc1 ZINC000736569039 600382940 /nfs/dbraw/zinc/38/29/40/600382940.db2.gz JJWMGGCLQACXEZ-GFCCVEGCSA-N -1 0 330.359 3.791 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1ccc2ncsc2c1)c1ccccc1 ZINC000736850286 600384503 /nfs/dbraw/zinc/38/45/03/600384503.db2.gz GHTCNOICLCFYNQ-OAHLLOKOSA-N -1 0 340.404 3.806 20 0 EHADRM CCc1ccc([C@@H](C)NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000737258482 600386581 /nfs/dbraw/zinc/38/65/81/600386581.db2.gz FGMYPZCSCHFQBJ-LLVKDONJSA-N -1 0 330.359 3.969 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)CCc1ccccc1OC)c1ccccc1 ZINC000736853553 600387820 /nfs/dbraw/zinc/38/78/20/600387820.db2.gz UUYKZTSWVMBSMT-QGZVFWFLSA-N -1 0 341.407 3.524 20 0 EHADRM Cc1ccc(CCNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)c(C)c1 ZINC000738591446 600388782 /nfs/dbraw/zinc/38/87/82/600388782.db2.gz CDYUUHFQAAVFKZ-UHFFFAOYSA-N -1 0 330.359 3.505 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@H]2CCc3c2cccc3Cl)ccc1F ZINC000739473301 600389529 /nfs/dbraw/zinc/38/95/29/600389529.db2.gz WKZJMHWYFRXARE-HNNXBMFYSA-N -1 0 348.761 3.986 20 0 EHADRM O=C([O-])COc1cccc(C(=O)NC(C2CCCC2)C2CCCC2)c1 ZINC000739825473 600390573 /nfs/dbraw/zinc/39/05/73/600390573.db2.gz AYKMQULWTPWGAZ-UHFFFAOYSA-N -1 0 345.439 3.629 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CC[C@@H](c3ccccc3)C2)ccc1F ZINC000324251172 600390592 /nfs/dbraw/zinc/39/05/92/600390592.db2.gz DSYSAJYTPFGGOI-CYBMUJFWSA-N -1 0 328.343 3.545 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2CCS[C@H](c3ccccc3)C2)c1 ZINC000740029162 600391309 /nfs/dbraw/zinc/39/13/09/600391309.db2.gz PHVAOOYNEPLLFR-INIZCTEOSA-N -1 0 342.420 3.707 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2CCS[C@@H](c3ccccc3)C2)c1 ZINC000740029163 600391377 /nfs/dbraw/zinc/39/13/77/600391377.db2.gz PHVAOOYNEPLLFR-MRXNPFEDSA-N -1 0 342.420 3.707 20 0 EHADRM CC(C)Oc1ccccc1CNC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000736493510 600395874 /nfs/dbraw/zinc/39/58/74/600395874.db2.gz WXJVMNZLADOIHZ-UHFFFAOYSA-N -1 0 346.358 3.633 20 0 EHADRM CCN(CCc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000737102152 600395949 /nfs/dbraw/zinc/39/59/49/600395949.db2.gz UKJLIJFSAQSSLH-UHFFFAOYSA-N -1 0 330.359 3.620 20 0 EHADRM CCCOc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000737032088 600396122 /nfs/dbraw/zinc/39/61/22/600396122.db2.gz WSDOTMGEMJHOSY-UHFFFAOYSA-N -1 0 346.358 3.634 20 0 EHADRM C[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000736716067 600396207 /nfs/dbraw/zinc/39/62/07/600396207.db2.gz HGRIWDJDMMSOAB-SNVBAGLBSA-N -1 0 334.322 3.888 20 0 EHADRM Cc1oc(CN(C)C(=O)CC/C=C\c2ccccc2)cc1C(=O)[O-] ZINC000532595286 600396312 /nfs/dbraw/zinc/39/63/12/600396312.db2.gz KJNJGLJVSXPAQZ-POHAHGRESA-N -1 0 327.380 3.738 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000736322505 600399471 /nfs/dbraw/zinc/39/94/71/600399471.db2.gz ZLFIPWBWIYSCHR-UHFFFAOYSA-N -1 0 330.359 3.623 20 0 EHADRM C[C@H](CCNC(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000392109771 600400707 /nfs/dbraw/zinc/40/07/07/600400707.db2.gz PZUACZHBLWBCKZ-GFCCVEGCSA-N -1 0 330.359 3.839 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CC[C@@H](c3ccccc3)C2)c(F)c1 ZINC000325048318 600403079 /nfs/dbraw/zinc/40/30/79/600403079.db2.gz RZBIGHBDJBBBJU-CQSZACIVSA-N -1 0 328.343 3.545 20 0 EHADRM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000736825651 600403538 /nfs/dbraw/zinc/40/35/38/600403538.db2.gz OJMBCTPLVOZIQM-ORAYPTAESA-N -1 0 338.407 3.759 20 0 EHADRM O=C([O-])[C@@H](c1ccccc1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000565898359 600405681 /nfs/dbraw/zinc/40/56/81/600405681.db2.gz QFJQTPJOTZHBIE-IAGOWNOFSA-N -1 0 331.799 3.539 20 0 EHADRM CCc1[nH]c(C(=O)N2CCc3ccccc3[C@H]2CC)c(C)c1C(=O)[O-] ZINC000737242721 600412207 /nfs/dbraw/zinc/41/22/07/600412207.db2.gz VMCWYKZHMJAGBJ-MRXNPFEDSA-N -1 0 340.423 3.733 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NC(C)(C)CCC(=O)[O-] ZINC000237316403 600416294 /nfs/dbraw/zinc/41/62/94/600416294.db2.gz MVOBKRDOEMKNDI-JTQLQIEISA-N -1 0 346.254 3.932 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)C[C@@H]1CCc2ccccc2C1 ZINC000739223862 600428015 /nfs/dbraw/zinc/42/80/15/600428015.db2.gz VSJBNGONMLHXDL-GFCCVEGCSA-N -1 0 327.355 3.658 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)Nc2cc(C(=O)[O-])ccn2)ccc1C(C)C ZINC000738464714 600429677 /nfs/dbraw/zinc/42/96/77/600429677.db2.gz MHFCYFBATSRJIX-CYBMUJFWSA-N -1 0 342.395 3.618 20 0 EHADRM CCCCCOc1ccc(C(=O)Nc2cc(C(=O)[O-])ccn2)cc1 ZINC000736990483 600432716 /nfs/dbraw/zinc/43/27/16/600432716.db2.gz MJGOXNGNFBCKFJ-UHFFFAOYSA-N -1 0 328.368 3.601 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)c2ccc(Oc3ccccc3)cc2)c1 ZINC000392616897 600432826 /nfs/dbraw/zinc/43/28/26/600432826.db2.gz PJYSBRNJWDAXDN-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM CCS[C@@H]1CCCCN(C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000737230932 600437990 /nfs/dbraw/zinc/43/79/90/600437990.db2.gz WIACJRQZENONOB-GFCCVEGCSA-N -1 0 340.420 3.663 20 0 EHADRM CCS[C@@H]1CCCCN(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)C1 ZINC000737230652 600438016 /nfs/dbraw/zinc/43/80/16/600438016.db2.gz VGVMTTVEKUMEOU-CQSZACIVSA-N -1 0 336.457 3.833 20 0 EHADRM CCc1[nH]c(C(=O)NC2(c3ccc(Cl)cc3)CC2)c(C)c1C(=O)[O-] ZINC000737240082 600450180 /nfs/dbraw/zinc/45/01/80/600450180.db2.gz HISMEAVANHZODL-UHFFFAOYSA-N -1 0 346.814 3.656 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)c2ccc3nccn3c2)s1 ZINC000736295401 600450520 /nfs/dbraw/zinc/45/05/20/600450520.db2.gz XQHRLCWKYXUJEF-UHFFFAOYSA-N -1 0 343.408 3.644 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1[nH]c2ccccc2c1Cl)c1ccc(F)cc1 ZINC000740289988 600450666 /nfs/dbraw/zinc/45/06/66/600450666.db2.gz PWLYHFCZNPCVQJ-HNNXBMFYSA-N -1 0 347.729 3.943 20 0 EHADRM C[C@@H]1CCCC[C@H]1CCNC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000736780964 600451227 /nfs/dbraw/zinc/45/12/27/600451227.db2.gz MRGOVTODUPVSIM-ZBFHGGJFSA-N -1 0 332.444 3.743 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccc(Cl)nc1Cl)c1ccc(F)cc1 ZINC000740290581 600454294 /nfs/dbraw/zinc/45/42/94/600454294.db2.gz JYSAMFWJRUSMED-NSHDSACASA-N -1 0 344.125 3.510 20 0 EHADRM CC(C)(CNC(=O)Nc1cc(C(=O)[O-])ccc1F)c1cccs1 ZINC000390970452 600455197 /nfs/dbraw/zinc/45/51/97/600455197.db2.gz QVCOUIFPRIAPKU-UHFFFAOYSA-N -1 0 336.388 3.685 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1cccs1 ZINC000390847450 600455241 /nfs/dbraw/zinc/45/52/41/600455241.db2.gz GRACWLXQIVLPDS-UHFFFAOYSA-N -1 0 336.388 3.685 20 0 EHADRM CC/C(=C\C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000736833295 600455402 /nfs/dbraw/zinc/45/54/02/600455402.db2.gz BGOOUZMNKGXGKH-HHNLSAEISA-N -1 0 328.339 3.988 20 0 EHADRM CN(C(=O)Nc1cccc(NC(=O)[O-])c1)[C@H]1CCc2ccccc2C1 ZINC000737327868 600455660 /nfs/dbraw/zinc/45/56/60/600455660.db2.gz BQMWOGFNPPICFX-KRWDZBQOSA-N -1 0 339.395 3.798 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738118448 600455894 /nfs/dbraw/zinc/45/58/94/600455894.db2.gz BHLBOFCRASACND-SGTLLEGYSA-N -1 0 346.354 3.697 20 0 EHADRM Cc1cc(NC(=O)NCC(C)(C)c2cccs2)ccc1C(=O)[O-] ZINC000390838668 600456059 /nfs/dbraw/zinc/45/60/59/600456059.db2.gz BDUXDFHQKWRXDM-UHFFFAOYSA-N -1 0 332.425 3.854 20 0 EHADRM CC[C@H](NC(=O)NC1CCC(C(=O)[O-])CC1)c1ccc(Cl)s1 ZINC000263266156 600457250 /nfs/dbraw/zinc/45/72/50/600457250.db2.gz RBKYXGDUSTZJCL-ILDUYXDCSA-N -1 0 344.864 3.795 20 0 EHADRM C[C@@H](CCC(C)(C)C)NC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736562779 600459869 /nfs/dbraw/zinc/45/98/69/600459869.db2.gz NBBIUIVLBUZMAZ-ZDUSSCGKSA-N -1 0 335.448 3.833 20 0 EHADRM Cc1ccccc1[C@H](C)NC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000738757093 600463608 /nfs/dbraw/zinc/46/36/08/600463608.db2.gz VLDYZLDFQBKUCK-AWEZNQCLSA-N -1 0 341.411 3.688 20 0 EHADRM CC[C@@H](OC(=O)CCc1ccc(C(=O)[O-])cc1)C(=O)c1ccccc1 ZINC000736928544 600465850 /nfs/dbraw/zinc/46/58/50/600465850.db2.gz UVSHYWDFETXCJE-QGZVFWFLSA-N -1 0 340.375 3.522 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000261618140 600472145 /nfs/dbraw/zinc/47/21/45/600472145.db2.gz FQRZBOMCWQSVEK-QGZVFWFLSA-N -1 0 338.407 3.606 20 0 EHADRM O=C([O-])c1ccc(Cl)cc1OC(=O)C[C@H]1CCOc2ccccc21 ZINC000739220579 600472404 /nfs/dbraw/zinc/47/24/04/600472404.db2.gz AFIBSRMPNCZBOI-LLVKDONJSA-N -1 0 346.766 3.900 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)Cc2ccc(-c3ccccc3)cc2)o1 ZINC000347433990 600477245 /nfs/dbraw/zinc/47/72/45/600477245.db2.gz VXPNXSADRGXBGN-UHFFFAOYSA-N -1 0 335.359 3.504 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC000736904350 600477270 /nfs/dbraw/zinc/47/72/70/600477270.db2.gz SYHVZHSPWAQGED-MRXNPFEDSA-N -1 0 337.419 3.933 20 0 EHADRM C[C@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000736840544 600479036 /nfs/dbraw/zinc/47/90/36/600479036.db2.gz NZWLXIGSDLJEFW-LBPRGKRZSA-N -1 0 342.370 3.604 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000261750024 600479369 /nfs/dbraw/zinc/47/93/69/600479369.db2.gz URWGYIKFAMIMIR-CQSZACIVSA-N -1 0 340.379 3.807 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000417763910 600479410 /nfs/dbraw/zinc/47/94/10/600479410.db2.gz VZRACYKIAPTEIP-UHFFFAOYSA-N -1 0 347.440 3.940 20 0 EHADRM CC(C)COc1ncccc1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000736449198 600480318 /nfs/dbraw/zinc/48/03/18/600480318.db2.gz GHQNBNYRCFBDTH-UHFFFAOYSA-N -1 0 348.786 3.720 20 0 EHADRM CCSc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cn1 ZINC000737229019 600480340 /nfs/dbraw/zinc/48/03/40/600480340.db2.gz GQRPQJCCURZWOQ-UHFFFAOYSA-N -1 0 336.800 3.798 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1)c1nccs1 ZINC000736913572 600480976 /nfs/dbraw/zinc/48/09/76/600480976.db2.gz CWGQCRBPJCXWIR-SNVBAGLBSA-N -1 0 338.364 3.645 20 0 EHADRM CC(C)[C@@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])c3ccccc32)CC1 ZINC000736394561 600483981 /nfs/dbraw/zinc/48/39/81/600483981.db2.gz ILJZDOLGQXCOEY-OAHLLOKOSA-N -1 0 342.439 3.624 20 0 EHADRM COc1ccc2cc(C(=O)Nc3ccc(C(=O)[O-])c(Cl)c3)[nH]c2c1 ZINC000531995480 600486260 /nfs/dbraw/zinc/48/62/60/600486260.db2.gz UVZKLLSVKPXYHL-UHFFFAOYSA-N -1 0 344.754 3.780 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)C(=O)c1ccccc1 ZINC000736547525 600487806 /nfs/dbraw/zinc/48/78/06/600487806.db2.gz DGKSBPSWVJEJNV-NSHDSACASA-N -1 0 345.782 3.886 20 0 EHADRM C[C@H]1SCCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)[C@H]1C ZINC000514729063 600489397 /nfs/dbraw/zinc/48/93/97/600489397.db2.gz HQDFEVZKNNEUKF-NWDGAFQWSA-N -1 0 348.493 3.834 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)o1 ZINC000262215981 600496267 /nfs/dbraw/zinc/49/62/67/600496267.db2.gz YWRHCMMTLNWAQU-UHFFFAOYSA-N -1 0 347.798 3.759 20 0 EHADRM C[C@@H](Cc1cccs1)NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000316836404 600509680 /nfs/dbraw/zinc/50/96/80/600509680.db2.gz KWEUMGFECDAISP-VIFPVBQESA-N -1 0 338.816 3.852 20 0 EHADRM CN(Cc1cccc(F)c1)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000320299645 600510313 /nfs/dbraw/zinc/51/03/13/600510313.db2.gz BFUATPYLBNNOAX-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM Cc1noc(C)c1[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000321585766 600510337 /nfs/dbraw/zinc/51/03/37/600510337.db2.gz JUVAPFTUNAAAGV-SSDOTTSWSA-N -1 0 337.763 3.526 20 0 EHADRM COc1ccccc1CN(C)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000392024066 600510736 /nfs/dbraw/zinc/51/07/36/600510736.db2.gz WRZVTOANNCXVPV-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)on1 ZINC000738378502 600511227 /nfs/dbraw/zinc/51/12/27/600511227.db2.gz HAOQGDGYLFUCBN-ZDUSSCGKSA-N -1 0 349.774 3.704 20 0 EHADRM CC(C)N(Cc1ccccn1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000736471064 600513739 /nfs/dbraw/zinc/51/37/39/600513739.db2.gz FHUHUTJOHOVHAA-UHFFFAOYSA-N -1 0 341.411 3.541 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)cc1 ZINC000738480343 600520836 /nfs/dbraw/zinc/52/08/36/600520836.db2.gz AXHRYMGEVUSOCW-UHFFFAOYSA-N -1 0 328.755 3.701 20 0 EHADRM CCN(C(=O)CSc1ccc(C)cc1)c1ccccc1C(=O)[O-] ZINC000737060060 600523479 /nfs/dbraw/zinc/52/34/79/600523479.db2.gz GAGAUCVCGVVYTE-UHFFFAOYSA-N -1 0 329.421 3.838 20 0 EHADRM CCN(C(=O)c1cnn(-c2ccccc2)c1C)c1ccccc1C(=O)[O-] ZINC000737062160 600524821 /nfs/dbraw/zinc/52/48/21/600524821.db2.gz KXMBGRVLUIFKPA-UHFFFAOYSA-N -1 0 349.390 3.546 20 0 EHADRM CCN(C(=O)CSc1ccc(F)cc1)c1ccccc1C(=O)[O-] ZINC000737060610 600524925 /nfs/dbraw/zinc/52/49/25/600524925.db2.gz OQJAITGGFUQAFQ-UHFFFAOYSA-N -1 0 333.384 3.669 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@H](C)c1cccc(C)c1)c1ccccc1 ZINC000736850122 600527109 /nfs/dbraw/zinc/52/71/09/600527109.db2.gz STQHUPIKTWFQGL-CRAIPNDOSA-N -1 0 325.408 3.995 20 0 EHADRM CC(C)(C)[C@H](NC(=O)/C=C/c1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000736241109 600531544 /nfs/dbraw/zinc/53/15/44/600531544.db2.gz FQRAIOIYSFTERA-IENJSVCTSA-N -1 0 345.439 3.637 20 0 EHADRM CC(C)(Oc1cccc(Cl)c1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000178665654 600532254 /nfs/dbraw/zinc/53/22/54/600532254.db2.gz WUGXZIFTNGZEKP-UHFFFAOYSA-N -1 0 347.798 3.512 20 0 EHADRM C[C@H](NC(=O)NCc1ccc(C(=O)[O-])o1)c1csc2ccccc21 ZINC000736647755 600532278 /nfs/dbraw/zinc/53/22/78/600532278.db2.gz UQXRPSRNVNOGKL-JTQLQIEISA-N -1 0 344.392 3.753 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)NC/C=C\c1ccccc1)C(=O)[O-] ZINC000345846186 600534804 /nfs/dbraw/zinc/53/48/04/600534804.db2.gz SOZBCPTTYLRXFC-JKEYDSJLSA-N -1 0 341.432 3.695 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)s1 ZINC000740110116 600539036 /nfs/dbraw/zinc/53/90/36/600539036.db2.gz UDCJNSYTBVXVHF-LBPRGKRZSA-N -1 0 337.347 3.702 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCc2ccccc2Cl)cc([N+](=O)[O-])c1 ZINC000237995669 600539691 /nfs/dbraw/zinc/53/96/91/600539691.db2.gz FZGPFGQGFLGMOK-UHFFFAOYSA-N -1 0 348.742 3.518 20 0 EHADRM Cc1ccc(NC(=O)Nc2cccc(C(=O)[O-])c2)cc1OC(F)F ZINC000738627885 600541197 /nfs/dbraw/zinc/54/11/97/600541197.db2.gz VCANQJSCRNEGFZ-UHFFFAOYSA-N -1 0 336.294 3.939 20 0 EHADRM CC(C)[C@@H](c1ccccc1)N(C)C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000736392145 600544208 /nfs/dbraw/zinc/54/42/08/600544208.db2.gz SBIVRGKGAAUTEE-HNNXBMFYSA-N -1 0 347.440 3.631 20 0 EHADRM CC(C)(Oc1cccc(Cl)c1)C(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC000736343711 600545002 /nfs/dbraw/zinc/54/50/02/600545002.db2.gz IVCMFAFRUMZJMZ-HNNXBMFYSA-N -1 0 348.782 3.867 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)NC/C=C/c2ccccc2)cc1 ZINC000737332075 600547385 /nfs/dbraw/zinc/54/73/85/600547385.db2.gz NTCCSFCLMPAOQR-VMPITWQZSA-N -1 0 325.368 3.636 20 0 EHADRM CC1(C)CCCN(C(=O)Nc2cccc(CSCC(=O)[O-])c2)C1 ZINC000736732303 600547753 /nfs/dbraw/zinc/54/77/53/600547753.db2.gz AWNHSTBZVBKDAG-UHFFFAOYSA-N -1 0 336.457 3.658 20 0 EHADRM C[C@H]1CCC[C@H](OCC(=O)Oc2cc(Cl)ccc2C(=O)[O-])C1 ZINC000736782771 600549666 /nfs/dbraw/zinc/54/96/66/600549666.db2.gz WKZWMIFUMCLPPQ-JQWIXIFHSA-N -1 0 326.776 3.539 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000736928911 600550967 /nfs/dbraw/zinc/55/09/67/600550967.db2.gz MKMSRDLHJUVJJJ-GFCCVEGCSA-N -1 0 325.430 3.739 20 0 EHADRM C[C@H]1CCCC[C@H]1OCC(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC000736785528 600551632 /nfs/dbraw/zinc/55/16/32/600551632.db2.gz QJRRBDHMIRVDJC-GXFFZTMASA-N -1 0 326.776 3.539 20 0 EHADRM O=C([O-])C1CCN(C(=O)N[C@H](c2ccccc2)C2CCCCC2)CC1 ZINC000739592574 600561226 /nfs/dbraw/zinc/56/12/26/600561226.db2.gz BJTSHEIKHZOZSG-GOSISDBHSA-N -1 0 344.455 3.814 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000236736609 600562947 /nfs/dbraw/zinc/56/29/47/600562947.db2.gz ZBGHZRLIDWHUIS-LBPRGKRZSA-N -1 0 345.361 3.911 20 0 EHADRM C[C@@H](NC(=O)N1CCC(C(=O)[O-])CC1)c1cc(Cl)ccc1Cl ZINC000263056516 600563292 /nfs/dbraw/zinc/56/32/92/600563292.db2.gz RPZUZAKJRAHZFA-SECBINFHSA-N -1 0 345.226 3.561 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)C[C@@H]1OCCc2ccccc21 ZINC000739225276 600571282 /nfs/dbraw/zinc/57/12/82/600571282.db2.gz OVFJZOHELKCLNN-INIZCTEOSA-N -1 0 345.782 3.681 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)Cc2c[nH]c3ccc(F)cc23)c1 ZINC000740043800 600572283 /nfs/dbraw/zinc/57/22/83/600572283.db2.gz XZQAVEIGKGHOEE-UHFFFAOYSA-N -1 0 327.315 3.578 20 0 EHADRM CC(C)(C)Oc1ccc(CNC(=O)c2ccccc2NC(=O)[O-])cc1 ZINC000736286538 600573984 /nfs/dbraw/zinc/57/39/84/600573984.db2.gz RORDAQKKSOTJTL-UHFFFAOYSA-N -1 0 342.395 3.884 20 0 EHADRM C[C@@H](CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)n1cccc1 ZINC000736548664 600583376 /nfs/dbraw/zinc/58/33/76/600583376.db2.gz DAVWLFRZLDZAOP-NSHDSACASA-N -1 0 332.425 3.716 20 0 EHADRM CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)S[C@@H](C)CC(=O)[O-] ZINC000736196900 600583529 /nfs/dbraw/zinc/58/35/29/600583529.db2.gz RCNPYVDPWXYMKZ-GXSJLCMTSA-N -1 0 349.408 3.559 20 0 EHADRM C[C@H](CC(=O)[O-])S[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000736550302 600583576 /nfs/dbraw/zinc/58/35/76/600583576.db2.gz NRBDQOIDKOVUHR-CXAGYDPISA-N -1 0 329.421 3.963 20 0 EHADRM C[C@@H](S[C@@H](C)CC(=O)[O-])C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000736553349 600584285 /nfs/dbraw/zinc/58/42/85/600584285.db2.gz RMXLLPSGXHCXKQ-DTWKUNHWSA-N -1 0 335.347 3.629 20 0 EHADRM C[C@@H](CC(=O)[O-])SC[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000736553532 600586810 /nfs/dbraw/zinc/58/68/10/600586810.db2.gz YQUUHNFQEDPVGB-UONOGXRCSA-N -1 0 343.448 3.752 20 0 EHADRM CCCCOc1ccc(C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000736999186 600596033 /nfs/dbraw/zinc/59/60/33/600596033.db2.gz MPLHOHHJMDCAMA-GOSISDBHSA-N -1 0 341.407 3.763 20 0 EHADRM C[C@H](CSCC(=O)Nc1ccccc1Oc1ccccc1)C(=O)[O-] ZINC000736614749 600599231 /nfs/dbraw/zinc/59/92/31/600599231.db2.gz ZHKGESCNQSKFBZ-CYBMUJFWSA-N -1 0 345.420 3.871 20 0 EHADRM CCC/C(C)=C/C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000736958401 600602622 /nfs/dbraw/zinc/60/26/22/600602622.db2.gz BDJMMFHIOHBITI-LSSBLYJVSA-N -1 0 339.435 3.946 20 0 EHADRM Cc1cccc(OCCCCC(=O)N(CC(=O)[O-])c2ccccc2)c1 ZINC000337764278 600606727 /nfs/dbraw/zinc/60/67/27/600606727.db2.gz YINCDWQTPJKURG-UHFFFAOYSA-N -1 0 341.407 3.662 20 0 EHADRM C[C@@H]1CCc2c(C(=O)N(CC(=O)[O-])c3ccccc3)csc2C1 ZINC000319778926 600606757 /nfs/dbraw/zinc/60/67/57/600606757.db2.gz YFOFTLNMIFOWPQ-GFCCVEGCSA-N -1 0 329.421 3.604 20 0 EHADRM O=C([O-])c1cc(NC(=O)C[C@@H]2CCc3ccccc32)c(F)cc1F ZINC000739223861 600609371 /nfs/dbraw/zinc/60/93/71/600609371.db2.gz VMACGKJAERTHBM-NSHDSACASA-N -1 0 331.318 3.722 20 0 EHADRM O=C([O-])c1c(NC(=O)c2coc3ccccc23)sc2c1CCC2 ZINC000390216450 600615932 /nfs/dbraw/zinc/61/59/32/600615932.db2.gz PAWKCOCCPNIQKT-UHFFFAOYSA-N -1 0 327.361 3.934 20 0 EHADRM CCOc1cc(C(=O)N2CCCc3c(C(=O)[O-])cccc32)ccc1C ZINC000737187597 600616229 /nfs/dbraw/zinc/61/62/29/600616229.db2.gz YNURGUAZAQZRRV-UHFFFAOYSA-N -1 0 339.391 3.685 20 0 EHADRM CCOc1cc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)ccc1C ZINC000676001836 600617159 /nfs/dbraw/zinc/61/71/59/600617159.db2.gz BHLKJYFFHWCXIB-UHFFFAOYSA-N -1 0 333.771 3.998 20 0 EHADRM CCc1ocnc1C(=O)OCc1c2ccccc2sc1C(=O)[O-] ZINC000737291033 600619516 /nfs/dbraw/zinc/61/95/16/600619516.db2.gz YALYMIAVRIFFJS-UHFFFAOYSA-N -1 0 331.349 3.507 20 0 EHADRM Cc1cccc(C)c1OCC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000322707831 600620739 /nfs/dbraw/zinc/62/07/39/600620739.db2.gz NMFAJIYKQOMLIF-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM CO[C@](C)(C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1ccccc1 ZINC000737724117 600621973 /nfs/dbraw/zinc/62/19/73/600621973.db2.gz WFAVZRPLRQKSSL-KRWDZBQOSA-N -1 0 333.771 3.539 20 0 EHADRM Cc1ccc(N(C)C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1Cl ZINC000237082143 600622455 /nfs/dbraw/zinc/62/24/55/600622455.db2.gz LQXCIBDBHUMNIP-UHFFFAOYSA-N -1 0 348.742 3.531 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)c3ccc(C(=O)[O-])cn3)cc2)nc1 ZINC000738650472 600624700 /nfs/dbraw/zinc/62/47/00/600624700.db2.gz YLOLQQBPSJWNQI-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM C[C@]1(c2ccccc2)CCCN(C(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000262447929 600635004 /nfs/dbraw/zinc/63/50/04/600635004.db2.gz VTCZTZZUDLIPJT-SFHVURJKSA-N -1 0 329.421 3.640 20 0 EHADRM Cc1[nH]c(C(=O)N2CCC[C@](C)(c3ccccc3)C2)c(C)c1C(=O)[O-] ZINC000738158414 600635363 /nfs/dbraw/zinc/63/53/63/600635363.db2.gz GNLRQVLRUPSHLN-FQEVSTJZSA-N -1 0 340.423 3.524 20 0 EHADRM CCN(C(=O)[C@H]1C[C@@H]1c1cccc(OC)c1)c1ccccc1C(=O)[O-] ZINC000737052046 600646441 /nfs/dbraw/zinc/64/64/41/600646441.db2.gz FCNWZZBRKXJFGH-SJORKVTESA-N -1 0 339.391 3.550 20 0 EHADRM CCN(C(=O)c1ccc(OC(F)F)cc1)c1ccccc1C(=O)[O-] ZINC000737059106 600647572 /nfs/dbraw/zinc/64/75/72/600647572.db2.gz IIBDFAKSSFBNHT-UHFFFAOYSA-N -1 0 335.306 3.653 20 0 EHADRM CC(C)(C)[C@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC000245696152 600657331 /nfs/dbraw/zinc/65/73/31/600657331.db2.gz KZXVJDOTIBFSRB-IIAWOOMASA-N -1 0 335.419 3.920 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@H]2CC(=O)[O-])cc1 ZINC000679397727 600661674 /nfs/dbraw/zinc/66/16/74/600661674.db2.gz RTICLCVYOUMRQC-OKZBNKHCSA-N -1 0 329.440 3.769 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)C1 ZINC000245696462 600667262 /nfs/dbraw/zinc/66/72/62/600667262.db2.gz LCARVJJURSJKHV-UXLLHSPISA-N -1 0 333.403 3.674 20 0 EHADRM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000245908610 600669143 /nfs/dbraw/zinc/66/91/43/600669143.db2.gz FPLXKWUXDLDFEA-ZTFGCOKTSA-N -1 0 329.440 3.705 20 0 EHADRM O=C([O-])c1ccc(NCc2ccc(OCC(F)(F)F)cc2)cc1 ZINC000740161951 600675386 /nfs/dbraw/zinc/67/53/86/600675386.db2.gz WMWAOYDALCUHEW-UHFFFAOYSA-N -1 0 325.286 3.938 20 0 EHADRM CC(C)n1cc2ccc(NC(=O)c3ccc(C(=O)[O-])s3)cc2n1 ZINC000736533070 600680696 /nfs/dbraw/zinc/68/06/96/600680696.db2.gz POGBPSOKAPYWKC-UHFFFAOYSA-N -1 0 329.381 3.629 20 0 EHADRM CC(C)(C)c1csc(-c2cccc(OC(=O)[C@H]3C[C@@H]3C(=O)[O-])c2)n1 ZINC000736298595 600690805 /nfs/dbraw/zinc/69/08/05/600690805.db2.gz BUSZLRBXZZJIGV-STQMWFEESA-N -1 0 345.420 3.734 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Nc2ccccc2OCC2CC2)cc1 ZINC000238074474 600692622 /nfs/dbraw/zinc/69/26/22/600692622.db2.gz NKUZWYDPGOIDTI-UHFFFAOYSA-N -1 0 339.391 3.745 20 0 EHADRM O=C([O-])c1cccc(-c2noc([C@H]3C[C@@]34CCOc3ccccc34)n2)c1 ZINC000833328095 600694794 /nfs/dbraw/zinc/69/47/94/600694794.db2.gz VHVKEMSCQDJCSM-FOIQADDNSA-N -1 0 348.358 3.643 20 0 EHADRM Cc1cc(Br)oc1-c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000832858761 600695612 /nfs/dbraw/zinc/69/56/12/600695612.db2.gz FNBNWYZJDKHVIG-UHFFFAOYSA-N -1 0 349.140 3.766 20 0 EHADRM O=C([O-])c1cccc(-c2noc([C@H]3C[C@H]3c3c(F)cccc3F)n2)c1 ZINC000833327532 600697224 /nfs/dbraw/zinc/69/72/24/600697224.db2.gz BDDJITXUOVTYTD-NEPJUHHUSA-N -1 0 342.301 3.984 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000740045681 600700498 /nfs/dbraw/zinc/70/04/98/600700498.db2.gz JKJVQYMKJPZMKZ-IINYFYTJSA-N -1 0 348.761 3.855 20 0 EHADRM CCCN(C(=O)c1ccc(C(=O)[O-])s1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000236752373 600701470 /nfs/dbraw/zinc/70/14/70/600701470.db2.gz XUAZUWSNJVNGIQ-UONOGXRCSA-N -1 0 339.457 3.502 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@H]1C[C@@]13CCCc1ccccc13)C2 ZINC000621557481 600707895 /nfs/dbraw/zinc/70/78/95/600707895.db2.gz IBIZETVTOMMIJB-DENIHFKCSA-N -1 0 347.414 3.521 20 0 EHADRM C/C(=C/CSc1nnc(Nc2ccccc2F)s1)C(=O)[O-] ZINC000825792336 600725273 /nfs/dbraw/zinc/72/52/73/600725273.db2.gz CVYUZQBKICAYLI-VURMDHGXSA-N -1 0 325.390 3.544 20 0 EHADRM C/C(=C\CSc1nnc(Nc2cccc(F)c2)s1)C(=O)[O-] ZINC000825792731 600726265 /nfs/dbraw/zinc/72/62/65/600726265.db2.gz IEKAEDIBXJSISB-VMPITWQZSA-N -1 0 325.390 3.544 20 0 EHADRM O=C([O-])[C@@H](NCc1ccccc1OC(F)(F)F)c1ccccc1F ZINC000833169358 600734815 /nfs/dbraw/zinc/73/48/15/600734815.db2.gz GJRWSQKYSJLIMY-AWEZNQCLSA-N -1 0 343.276 3.640 20 0 EHADRM Cc1nc(-c2cccc(C(=O)OCc3occc3C(=O)[O-])c2)cs1 ZINC000832991893 600736203 /nfs/dbraw/zinc/73/62/03/600736203.db2.gz VQTBKAOHPRMBPS-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM C[C@H](Nc1ccc(OCC(=O)[O-])cc1)c1ncc(-c2ccccc2)o1 ZINC000827773494 600737723 /nfs/dbraw/zinc/73/77/23/600737723.db2.gz OAWKMDQYIHHTGC-ZDUSSCGKSA-N -1 0 338.363 3.978 20 0 EHADRM C[C@H](Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)C(=O)[O-] ZINC000737695090 600750285 /nfs/dbraw/zinc/75/02/85/600750285.db2.gz MUKLUTYSHVZYRP-QMMMGPOBSA-N -1 0 344.264 3.917 20 0 EHADRM Cc1ccc(N[C@H](C(=O)[O-])c2ccccc2F)cc1OC(F)F ZINC000832949071 600750443 /nfs/dbraw/zinc/75/04/43/600750443.db2.gz NYPWMFUXMBRKGT-AWEZNQCLSA-N -1 0 325.286 3.973 20 0 EHADRM O=C([O-])[C@H](NCc1ccccc1OC1CCC1)c1ccccc1F ZINC000833170332 600751777 /nfs/dbraw/zinc/75/17/77/600751777.db2.gz SJHQAQKXGBUYRJ-GOSISDBHSA-N -1 0 329.371 3.673 20 0 EHADRM CCC(CC)(C(=O)NC[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000262488914 600787045 /nfs/dbraw/zinc/78/70/45/600787045.db2.gz LSOTYYDIHISGES-SFHVURJKSA-N -1 0 339.435 3.729 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)[C@H]2C[C@]23CCc2ccccc23)c1 ZINC000833298298 600788013 /nfs/dbraw/zinc/78/80/13/600788013.db2.gz XDKOKUQEMWPDDU-APWZRJJASA-N -1 0 341.794 3.881 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N3CC[C@@H](CC(C)C)C3)c12 ZINC000833001744 600804127 /nfs/dbraw/zinc/80/41/27/600804127.db2.gz TWPYLEGNSZDPTC-LBPRGKRZSA-N -1 0 333.457 3.879 20 0 EHADRM O=C([O-])c1coc(COc2cccc(NC(=O)c3cccs3)c2)c1 ZINC000833341437 600806392 /nfs/dbraw/zinc/80/63/92/600806392.db2.gz ZZQKXXGZPHIBSU-UHFFFAOYSA-N -1 0 343.360 3.871 20 0 EHADRM Cc1ccc2cccc(C(=O)O[C@@H](C(=O)[O-])c3ccc(F)cc3)c2n1 ZINC000738674740 600807281 /nfs/dbraw/zinc/80/72/81/600807281.db2.gz AJCAXNROXKQGNZ-QGZVFWFLSA-N -1 0 339.322 3.665 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cccc(C(=O)[O-])c2)[C@H](c2ccco2)C1 ZINC000828278989 600813084 /nfs/dbraw/zinc/81/30/84/600813084.db2.gz UMWZSPFJAYNLFG-DOMZBBRYSA-N -1 0 328.368 3.983 20 0 EHADRM C[C@H](Sc1ncccc1C(=O)[O-])c1nc(Cc2ccccc2)no1 ZINC000736715380 600817570 /nfs/dbraw/zinc/81/75/70/600817570.db2.gz RTRYHZYSCUDBRX-NSHDSACASA-N -1 0 341.392 3.607 20 0 EHADRM CO[C@@H](CNc1nc(Cl)c(C(=O)[O-])s1)c1ccc(Cl)cc1 ZINC000831526465 600819581 /nfs/dbraw/zinc/81/95/81/600819581.db2.gz GKYMKLMAACVSEN-VIFPVBQESA-N -1 0 347.223 3.948 20 0 EHADRM C[C@@H](CNc1nc(Cl)c(C(=O)[O-])s1)Oc1ccc(F)cc1 ZINC000827512431 600822611 /nfs/dbraw/zinc/82/26/11/600822611.db2.gz OERGEJUQSRRAEQ-ZETCQYMHSA-N -1 0 330.768 3.513 20 0 EHADRM Cc1ccc(C)c(SCc2cccc(C(=O)N[C@@H](C)C(=O)[O-])c2)c1 ZINC000237486675 600824987 /nfs/dbraw/zinc/82/49/87/600824987.db2.gz JCCJCZCAYZXOQA-AWEZNQCLSA-N -1 0 343.448 3.799 20 0 EHADRM COc1ccc(-c2cnc(CNc3cccc(F)c3C(=O)[O-])o2)cc1 ZINC000832124224 600826014 /nfs/dbraw/zinc/82/60/14/600826014.db2.gz JKNRMGNRAXNRID-UHFFFAOYSA-N -1 0 342.326 3.800 20 0 EHADRM Cc1cc(C)c(NC(=S)NCCCCCC(=O)[O-])c(Cl)c1 ZINC000244485142 600827007 /nfs/dbraw/zinc/82/70/07/600827007.db2.gz ZJLVILOEUTVJAF-UHFFFAOYSA-N -1 0 328.865 3.888 20 0 EHADRM Cc1cc(CN2C[C@@H](c3ccccc3C)OC[C@@H]2C)oc1C(=O)[O-] ZINC000578899611 600833763 /nfs/dbraw/zinc/83/37/63/600833763.db2.gz BYVFDFMKXQMCJQ-YOEHRIQHSA-N -1 0 329.396 3.557 20 0 EHADRM O=C([O-])[C@H](Sc1nnc(C2CC2)n1C1CC1)c1ccccc1F ZINC000833170877 600835432 /nfs/dbraw/zinc/83/54/32/600835432.db2.gz ULPBMOKBHPCRQL-CYBMUJFWSA-N -1 0 333.388 3.548 20 0 EHADRM CCc1nnc(S[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)[nH]1 ZINC000830335791 600836417 /nfs/dbraw/zinc/83/64/17/600836417.db2.gz XTVZNLSFNNEUHW-SNVBAGLBSA-N -1 0 332.212 3.592 20 0 EHADRM CC/C(=C/C(=O)N[C@H](Cc1ccccc1)C(=O)[O-])c1ccc(C)cc1 ZINC000736835598 600839040 /nfs/dbraw/zinc/83/90/40/600839040.db2.gz ODMZFFOLCTWIKD-RBAUTDOXSA-N -1 0 337.419 3.601 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)cc1 ZINC000238047941 600839670 /nfs/dbraw/zinc/83/96/70/600839670.db2.gz DGDZFNWUEYYXCJ-CABCVRRESA-N -1 0 345.345 3.724 20 0 EHADRM COC(=O)[C@@H](S[C@H](C)CC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000831085152 600840119 /nfs/dbraw/zinc/84/01/19/600840119.db2.gz WWQWCJYAMSQTJV-KRTXAFLBSA-N -1 0 337.224 3.804 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)C[C@@H]2CCc3ccccc32)c2ccccc21 ZINC000739642138 600851276 /nfs/dbraw/zinc/85/12/76/600851276.db2.gz NLJIWEXCOZYHLD-HOTGVXAUSA-N -1 0 335.403 3.712 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)c2ccc(F)cc2Cl)c2ccccc21 ZINC000321153199 600852653 /nfs/dbraw/zinc/85/26/53/600852653.db2.gz MKGJIEXYXXVPIU-SNVBAGLBSA-N -1 0 333.746 3.698 20 0 EHADRM CN(CC(=O)N[C@@H](CC(C)(C)C)c1ccc(Cl)cc1)C(=O)[O-] ZINC000737393373 600865322 /nfs/dbraw/zinc/86/53/22/600865322.db2.gz MZVYDCIHYJANHB-ZDUSSCGKSA-N -1 0 326.824 3.543 20 0 EHADRM CC(C)[C@@H](C)C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000736355222 600867586 /nfs/dbraw/zinc/86/75/86/600867586.db2.gz MOOLLLPAKXSXDB-SSDOTTSWSA-N -1 0 332.169 3.517 20 0 EHADRM C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000191572922 600872085 /nfs/dbraw/zinc/87/20/85/600872085.db2.gz MROALCHEDGPBSQ-UPJWGTAASA-N -1 0 346.452 3.707 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccccc2SC(F)F)C1 ZINC000108654610 600873890 /nfs/dbraw/zinc/87/38/90/600873890.db2.gz KCIINGJUODWYDP-ZJUUUORDSA-N -1 0 329.368 3.831 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)c2ccc(C)c(Cl)c2)c1OC ZINC000486043574 600874196 /nfs/dbraw/zinc/87/41/96/600874196.db2.gz SVIRPZLWTCKRPN-UHFFFAOYSA-N -1 0 349.770 3.616 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)C[C@H](C)C2CCCCC2)c1OC ZINC000262565128 600875433 /nfs/dbraw/zinc/87/54/33/600875433.db2.gz ZWIUTWAAVUJGKW-LBPRGKRZSA-N -1 0 349.427 3.947 20 0 EHADRM Cc1ccc([C@@H](C)C(=O)Nc2cccc(CSCC(=O)[O-])c2)o1 ZINC000832924312 600876572 /nfs/dbraw/zinc/87/65/72/600876572.db2.gz ONYYRNLTFRCQKV-GFCCVEGCSA-N -1 0 333.409 3.648 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000479466775 600876634 /nfs/dbraw/zinc/87/66/34/600876634.db2.gz IYJGQOTWERIVEX-LLVKDONJSA-N -1 0 333.334 3.870 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2SCCc3sccc32)c(C(=O)[O-])c1 ZINC000544407190 600877019 /nfs/dbraw/zinc/87/70/19/600877019.db2.gz QVTSXEWAGHNPCV-AWEZNQCLSA-N -1 0 333.434 3.724 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2ccc3ncccc3c2)cc1 ZINC000336895747 600880251 /nfs/dbraw/zinc/88/02/51/600880251.db2.gz ZCAMEOQJSKGPAM-UHFFFAOYSA-N -1 0 334.375 3.849 20 0 EHADRM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000262709433 600882182 /nfs/dbraw/zinc/88/21/82/600882182.db2.gz FBKXGZDJNMOINV-BBRMVZONSA-N -1 0 333.428 3.583 20 0 EHADRM O=C([O-])c1cccc(-c2nc(C[S@](=O)c3ccccc3)cs2)c1 ZINC000833326742 600882190 /nfs/dbraw/zinc/88/21/90/600882190.db2.gz USPRVNLATMARFG-QHCPKHFHSA-N -1 0 343.429 3.816 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc(OC3CCCC3)cc2)C1 ZINC000179958302 600882638 /nfs/dbraw/zinc/88/26/38/600882638.db2.gz XLAHCYOKTNBJLE-KGLIPLIRSA-N -1 0 331.412 3.838 20 0 EHADRM C[C@@H]1CCC[C@@H](OCC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C1 ZINC000532264278 600883013 /nfs/dbraw/zinc/88/30/13/600883013.db2.gz JMPFCYFYMGZMCH-CZUORRHYSA-N -1 0 333.428 3.583 20 0 EHADRM COc1ccc(/C=C/C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC000327096987 600883787 /nfs/dbraw/zinc/88/37/87/600883787.db2.gz CGPRULWEBSKOAF-AWNIVKPZSA-N -1 0 339.391 3.709 20 0 EHADRM CCCCN(Cc1ccccc1F)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000829389871 600885579 /nfs/dbraw/zinc/88/55/79/600885579.db2.gz WBXLOSBTMNDUKO-GJZGRUSLSA-N -1 0 335.419 3.845 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCC[C@H]2CCc2ccccc2)C1 ZINC000245726867 600896567 /nfs/dbraw/zinc/89/65/67/600896567.db2.gz PPWQPLHOSNFLII-KSZLIROESA-N -1 0 329.440 3.501 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(Br)cc2F)s1 ZINC000035426406 600902710 /nfs/dbraw/zinc/90/27/10/600902710.db2.gz ZESRELLPGVVHMO-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM CC/C(=C/C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccc(C)cc1 ZINC000736834893 600906841 /nfs/dbraw/zinc/90/68/41/600906841.db2.gz KLFAXLWCBZVWHY-MLRPBERTSA-N -1 0 327.424 3.502 20 0 EHADRM CCC(CC)(NC(=O)/C=C/c1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000828824743 600923931 /nfs/dbraw/zinc/92/39/31/600923931.db2.gz QWGLRPDSYVGLDM-OUKQBFOZSA-N -1 0 345.439 3.781 20 0 EHADRM CC(C)(CNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccccc1Cl ZINC000179998746 600928239 /nfs/dbraw/zinc/92/82/39/600928239.db2.gz XEFOMVYEXLDVCH-QWHCGFSZSA-N -1 0 337.847 3.625 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccc(Cl)cc2-n2cccc2)C1 ZINC000833186310 600932301 /nfs/dbraw/zinc/93/23/01/600932301.db2.gz LMSAQLUFEWGWMA-QWHCGFSZSA-N -1 0 346.814 3.960 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC000827427386 600938656 /nfs/dbraw/zinc/93/86/56/600938656.db2.gz HLYTWHPHVRBVMH-CYBMUJFWSA-N -1 0 330.355 3.627 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC000827427488 600938803 /nfs/dbraw/zinc/93/88/03/600938803.db2.gz HLYTWHPHVRBVMH-ZDUSSCGKSA-N -1 0 330.355 3.627 20 0 EHADRM CCCOc1ccc(CCC(=O)Oc2ccc(C(=O)[O-])cc2)cc1 ZINC000829532607 600939872 /nfs/dbraw/zinc/93/98/72/600939872.db2.gz VAIXTWCAYCFILC-UHFFFAOYSA-N -1 0 328.364 3.712 20 0 EHADRM CC(C)c1nn(C)c2sc(C(=O)Oc3ccc(C(=O)[O-])cc3)cc12 ZINC000827163832 600939928 /nfs/dbraw/zinc/93/99/28/600939928.db2.gz AWLQUSHVGYENTM-UHFFFAOYSA-N -1 0 344.392 3.676 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000833187197 600942234 /nfs/dbraw/zinc/94/22/34/600942234.db2.gz QMVHMYWSNKAZBE-UWVGGRQHSA-N -1 0 336.438 3.701 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)[C@H]2C[C@@]23CCCc2ccccc23)c1 ZINC000833268213 600946797 /nfs/dbraw/zinc/94/67/97/600946797.db2.gz VVHKAOXIXAYDRE-WIYYLYMNSA-N -1 0 336.387 3.513 20 0 EHADRM Cc1cccc2c(CCC(=O)Oc3cccc(CC(=O)[O-])c3)c[nH]c21 ZINC000832976462 600946996 /nfs/dbraw/zinc/94/69/96/600946996.db2.gz WFQFANODHKCROV-UHFFFAOYSA-N -1 0 337.375 3.642 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccc(Oc3ccccn3)cc2)C1 ZINC000833188319 600952338 /nfs/dbraw/zinc/95/23/38/600952338.db2.gz YHHZWDRDODYIQQ-ZIAGYGMSSA-N -1 0 340.379 3.703 20 0 EHADRM CC(C)C[C@@H](OC(=O)/C=C/c1ccccc1OC(F)(F)F)C(=O)[O-] ZINC000826812477 600953997 /nfs/dbraw/zinc/95/39/97/600953997.db2.gz IVJABMOJIXZBOJ-SBDDDAINSA-N -1 0 346.301 3.641 20 0 EHADRM Cc1ccc2c(CN3C[C@H](CC(=O)[O-])c4ccccc43)cc(=O)oc2c1 ZINC000738666665 600959156 /nfs/dbraw/zinc/95/91/56/600959156.db2.gz UKGQCTVSHPQUBS-AWEZNQCLSA-N -1 0 349.386 3.680 20 0 EHADRM COc1cc(CN2C[C@H](CC(=O)[O-])c3ccccc32)ccc1SC ZINC000737882128 600961871 /nfs/dbraw/zinc/96/18/71/600961871.db2.gz ZSOYQZJEGQNOHN-AWEZNQCLSA-N -1 0 343.448 3.996 20 0 EHADRM O=C([O-])C[C@@H]1CN(Cc2cn3cc(Cl)ccc3n2)c2ccccc21 ZINC000325243422 600962504 /nfs/dbraw/zinc/96/25/04/600962504.db2.gz WGPQRIHIDBSERE-GFCCVEGCSA-N -1 0 341.798 3.566 20 0 EHADRM O=C([O-])c1c(NC(=O)c2cccc(F)c2Cl)sc2c1CCC2 ZINC000316911313 600963892 /nfs/dbraw/zinc/96/38/92/600963892.db2.gz VNEJQERFWJYFHW-UHFFFAOYSA-N -1 0 339.775 3.980 20 0 EHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)o1 ZINC000245637205 600964587 /nfs/dbraw/zinc/96/45/87/600964587.db2.gz ADVLCFLGIZYISG-XHSDSOJGSA-N -1 0 333.428 3.923 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000827421885 600968309 /nfs/dbraw/zinc/96/83/09/600968309.db2.gz CWFILBBOXJDXCR-CYBMUJFWSA-N -1 0 329.371 3.756 20 0 EHADRM C[C@@H]1CC[C@@H](CCC(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])O1 ZINC000828221848 600970243 /nfs/dbraw/zinc/97/02/43/600970243.db2.gz ZQUYBXLCGROGIE-KOLCDFICSA-N -1 0 345.317 3.690 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccccc2CC(F)(F)F)C1 ZINC000180020669 600970928 /nfs/dbraw/zinc/97/09/28/600970928.db2.gz FWLJATWKXRLXNW-QWRGUYRKSA-N -1 0 329.318 3.621 20 0 EHADRM Cc1nc(-c2cccc(C(=O)N3CCCC[C@@H]3CC(=O)[O-])c2)cs1 ZINC000679394411 600971162 /nfs/dbraw/zinc/97/11/62/600971162.db2.gz NWNXDVNPWCTNTR-OAHLLOKOSA-N -1 0 344.436 3.588 20 0 EHADRM Cc1nc(C)c(COc2ccc(C(=O)[O-])cc2Br)s1 ZINC000691921447 600984113 /nfs/dbraw/zinc/98/41/13/600984113.db2.gz VBUCENDLWNQBIV-UHFFFAOYSA-N -1 0 342.214 3.800 20 0 EHADRM CSCC[C@H](C)N(C)c1nc(C)nc2sc(C(=O)[O-])c(C)c21 ZINC000592974989 600986023 /nfs/dbraw/zinc/98/60/23/600986023.db2.gz JBOMRJKODHFNGA-QMMMGPOBSA-N -1 0 339.486 3.584 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@@H]1CCSc2ccccc21 ZINC000737859010 600995038 /nfs/dbraw/zinc/99/50/38/600995038.db2.gz SCXRUKYRQHTHKW-CYBMUJFWSA-N -1 0 344.388 3.578 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000737858493 600995150 /nfs/dbraw/zinc/99/51/50/600995150.db2.gz LYWWHADQXZVWNR-JTQLQIEISA-N -1 0 334.755 3.756 20 0 EHADRM Cc1oc(COC(=O)[C@@H]2CCSc3ccccc32)cc1C(=O)[O-] ZINC000738980375 600998498 /nfs/dbraw/zinc/99/84/98/600998498.db2.gz FTSVYSDKSJUUOF-CYBMUJFWSA-N -1 0 332.377 3.609 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@H]1CCSc2ccccc21 ZINC000737470561 601002610 /nfs/dbraw/zinc/00/26/10/601002610.db2.gz NATUFXUPXKMHBQ-INIZCTEOSA-N -1 0 341.432 3.623 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OC(=O)c1cnc2ccsc2c1 ZINC000740307123 601004815 /nfs/dbraw/zinc/00/48/15/601004815.db2.gz KBMKWIHSYFEQSS-UHFFFAOYSA-N -1 0 333.752 3.867 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)N[C@@H](C(=O)[O-])c2cccs2)c1 ZINC000736343691 601007339 /nfs/dbraw/zinc/00/73/39/601007339.db2.gz OJAPBJJVPHBYAA-MRXNPFEDSA-N -1 0 345.420 3.649 20 0 EHADRM CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2cccc(C(=O)[O-])c2)s1 ZINC000830309359 601008661 /nfs/dbraw/zinc/00/86/61/601008661.db2.gz CPXIGUXDTXEDGE-LLVKDONJSA-N -1 0 347.440 3.937 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2CCSc3ccccc32)c(F)c1 ZINC000343096333 601009496 /nfs/dbraw/zinc/00/94/96/601009496.db2.gz DBXXLCSNODVJMZ-GFCCVEGCSA-N -1 0 331.368 3.742 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)NCCCCC2CCCC2)c1 ZINC000833262948 601018528 /nfs/dbraw/zinc/01/85/28/601018528.db2.gz YTTKZKFPSFVPMT-UHFFFAOYSA-N -1 0 334.416 3.632 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1cccc(-c2nccs2)c1)C(=O)[O-] ZINC000424465880 601027234 /nfs/dbraw/zinc/02/72/34/601027234.db2.gz GAGSHHXSKGFKDI-CYBMUJFWSA-N -1 0 347.440 3.679 20 0 EHADRM CCCc1ccc(C(=O)N(CCC(=O)[O-])c2cccc(F)c2)cc1 ZINC000737045749 601027369 /nfs/dbraw/zinc/02/73/69/601027369.db2.gz YZTYIGRCDOHTLH-UHFFFAOYSA-N -1 0 329.371 3.900 20 0 EHADRM C/C(=C/C(=O)N(CCC(=O)[O-])c1cccc(F)c1)c1ccccc1 ZINC000736117453 601028148 /nfs/dbraw/zinc/02/81/48/601028148.db2.gz KJWYMMPJHZMNGL-OWBHPGMISA-N -1 0 327.355 3.737 20 0 EHADRM C[C@@H]1Cc2ccccc2CN1C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000828516637 601030404 /nfs/dbraw/zinc/03/04/04/601030404.db2.gz PQTNJQRRYSKFDB-CYBMUJFWSA-N -1 0 339.395 3.780 20 0 EHADRM CC(C)(CC(=O)N(c1ncc(C(=O)[O-])s1)C1CC1)c1ccccc1 ZINC000736309685 601039340 /nfs/dbraw/zinc/03/93/40/601039340.db2.gz GICLPUOLPKXZHY-UHFFFAOYSA-N -1 0 344.436 3.705 20 0 EHADRM O=C([O-])c1cnc(N(C(=O)/C=C/c2ccccc2Cl)C2CC2)s1 ZINC000740254502 601040700 /nfs/dbraw/zinc/04/07/00/601040700.db2.gz OPAYZQJPWPXJNA-VMPITWQZSA-N -1 0 348.811 3.704 20 0 EHADRM CC1(C)[C@@H]2CN(C(=O)Nc3cccc(CSCCC(=O)[O-])c3)C[C@@H]21 ZINC000828050014 601042816 /nfs/dbraw/zinc/04/28/16/601042816.db2.gz IGSSDEWKQXSICI-GASCZTMLSA-N -1 0 348.468 3.514 20 0 EHADRM CC1(C)CCN(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)C1 ZINC000828069427 601043060 /nfs/dbraw/zinc/04/30/60/601043060.db2.gz YXGCYNJNUMIFTL-UHFFFAOYSA-N -1 0 336.457 3.658 20 0 EHADRM Cc1cc(C)cc(C[C@@H](C)NC(=O)c2ccc(NC(=O)[O-])cc2)c1 ZINC000738223021 601043616 /nfs/dbraw/zinc/04/36/16/601043616.db2.gz UFHSAFIEBPRUSV-CQSZACIVSA-N -1 0 326.396 3.754 20 0 EHADRM C[C@@H]1Cc2ccccc2CN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000828516988 601045887 /nfs/dbraw/zinc/04/58/87/601045887.db2.gz WILGMZTVUWAXST-LLVKDONJSA-N -1 0 328.343 3.503 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1 ZINC000833239200 601048148 /nfs/dbraw/zinc/04/81/48/601048148.db2.gz ZFXQFUOADOBRCV-YQQAZPJKSA-N -1 0 330.428 3.794 20 0 EHADRM C[C@H](C1CC1)N(C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)C1CC1 ZINC000827212128 601051293 /nfs/dbraw/zinc/05/12/93/601051293.db2.gz BEDYKINFPRFFKW-GFCCVEGCSA-N -1 0 331.416 3.591 20 0 EHADRM CN(Cc1ccc(NC(=O)NC2CCC(C)(C)CC2)cc1)C(=O)[O-] ZINC000830835067 601051546 /nfs/dbraw/zinc/05/15/46/601051546.db2.gz AXIINKJPXOWBKQ-UHFFFAOYSA-N -1 0 333.432 3.887 20 0 EHADRM CN(Cc1ccc(NC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)cc1)C(=O)[O-] ZINC000830835630 601051737 /nfs/dbraw/zinc/05/17/37/601051737.db2.gz IGFFQPPEIARKRU-IAGOWNOFSA-N -1 0 345.443 3.887 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)N[C@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000833280704 601053648 /nfs/dbraw/zinc/05/36/48/601053648.db2.gz AMHCHGUZOVZWGY-CVEARBPZSA-N -1 0 331.416 3.545 20 0 EHADRM Cc1ccc2cc(C(=O)O[C@@H](C(=O)[O-])c3ccccc3F)[nH]c2c1 ZINC000832961772 601057780 /nfs/dbraw/zinc/05/77/80/601057780.db2.gz DMHJQBMPZWUXEO-MRXNPFEDSA-N -1 0 327.311 3.598 20 0 EHADRM Cc1ccc(C(=O)OCc2csc(-c3cccc(C(=O)[O-])c3)n2)o1 ZINC000832918444 601061104 /nfs/dbraw/zinc/06/11/04/601061104.db2.gz KFURGMMULABQST-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccccc1C(F)(F)F)c1ccccc1F ZINC000833351015 601064488 /nfs/dbraw/zinc/06/44/88/601064488.db2.gz IAZWRAMGVDBKRW-ZDUSSCGKSA-N -1 0 342.244 3.827 20 0 EHADRM Cc1ccc(NC(=O)C[C@H]2CCOc3ccccc32)cc1C(=O)[O-] ZINC000237684983 601064742 /nfs/dbraw/zinc/06/47/42/601064742.db2.gz GIDPRSMDZVLIKT-CYBMUJFWSA-N -1 0 325.364 3.588 20 0 EHADRM O=C([O-])[C@H](OC(=O)/C=C/c1ccccc1Cl)c1ccccc1F ZINC000833095766 601065028 /nfs/dbraw/zinc/06/50/28/601065028.db2.gz WZTZWJDVVSXEHO-ZNFPLGDCSA-N -1 0 334.730 3.861 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2SCCc3sccc32)cc1C(=O)[O-] ZINC000237706549 601065761 /nfs/dbraw/zinc/06/57/61/601065761.db2.gz GPQWPEJAHGGGIX-AWEZNQCLSA-N -1 0 333.434 3.724 20 0 EHADRM Cc1ccc(NC(=O)Cc2cccc(Br)c2)cc1C(=O)[O-] ZINC000110987230 601067311 /nfs/dbraw/zinc/06/73/11/601067311.db2.gz SSNYSFHTMKJCMK-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM Cc1nc(CC(C)C)sc1C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000362779096 601067493 /nfs/dbraw/zinc/06/74/93/601067493.db2.gz CSYUDOCVOJZRCH-UHFFFAOYSA-N -1 0 332.425 3.909 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N[C@@H]2CCc3c2cccc3O)c1 ZINC000833154540 601070192 /nfs/dbraw/zinc/07/01/92/601070192.db2.gz VYCKFAKLHNFFEV-CQSZACIVSA-N -1 0 346.770 3.553 20 0 EHADRM CC(C)c1ccc(CCC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000262453437 601071047 /nfs/dbraw/zinc/07/10/47/601071047.db2.gz HNNXPCBTMQVCHJ-LJQANCHMSA-N -1 0 339.435 3.727 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cccc(-n2cccc2)c1)c1ccccc1F ZINC000833352196 601076261 /nfs/dbraw/zinc/07/62/61/601076261.db2.gz STHZEBMCHPHWQK-QGZVFWFLSA-N -1 0 339.322 3.599 20 0 EHADRM Cc1cc(NC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)ccc1OC(C)C ZINC000832894149 601077239 /nfs/dbraw/zinc/07/72/39/601077239.db2.gz FNXYWHBNTIFWLF-OAHLLOKOSA-N -1 0 346.427 3.501 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1cc(Cl)sc1Cl)c1ccccc1 ZINC000224820999 601078153 /nfs/dbraw/zinc/07/81/53/601078153.db2.gz LDVYLAIDSSXJLL-SNVBAGLBSA-N -1 0 344.219 3.653 20 0 EHADRM CC(C)(C(=O)NC[C@H](C(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC000262514640 601081869 /nfs/dbraw/zinc/08/18/69/601081869.db2.gz PPQTUCYZIFDCRB-INIZCTEOSA-N -1 0 345.826 3.602 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1ccc2[nH]ccc2c1 ZINC000833179255 601086678 /nfs/dbraw/zinc/08/66/78/601086678.db2.gz LMLXQFDCGQVBBV-AEFFLSMTSA-N -1 0 340.423 3.664 20 0 EHADRM C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)[C@H](C)C1 ZINC000325470581 601089710 /nfs/dbraw/zinc/08/97/10/601089710.db2.gz VJIQSFPNAVYHCY-XJKCOSOUSA-N -1 0 332.444 3.995 20 0 EHADRM CCn1nc(C)c(NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1C ZINC000830440799 601090931 /nfs/dbraw/zinc/09/09/31/601090931.db2.gz HZGIRHJNUYNONX-UHFFFAOYSA-N -1 0 344.415 3.526 20 0 EHADRM CCn1c(C)cc(C(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c1C ZINC000830407914 601091079 /nfs/dbraw/zinc/09/10/79/601091079.db2.gz FKRBZHGWYQOWPG-SJLPKXTDSA-N -1 0 346.471 3.620 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1ccccc1Cl ZINC000833178350 601091513 /nfs/dbraw/zinc/09/15/13/601091513.db2.gz GVCFJJQXLODRGA-CZUORRHYSA-N -1 0 335.831 3.836 20 0 EHADRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)CCCc1ccccc1 ZINC000833176197 601092485 /nfs/dbraw/zinc/09/24/85/601092485.db2.gz BQNVMISPMSFMSD-RBUKOAKNSA-N -1 0 343.467 3.891 20 0 EHADRM C[C@@H](C1CC1)N(C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)C1CC1 ZINC000827213783 601093370 /nfs/dbraw/zinc/09/33/70/601093370.db2.gz RFYWASNCXVBLOL-LBPRGKRZSA-N -1 0 330.428 3.844 20 0 EHADRM CC(C)C[C@H]1CCN(C(=O)c2ccccc2S[C@@H](C)C(=O)[O-])C1 ZINC000236670253 601095776 /nfs/dbraw/zinc/09/57/76/601095776.db2.gz JJVRZOKTQVIBKN-UONOGXRCSA-N -1 0 335.469 3.760 20 0 EHADRM Cc1cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)c(C)[nH]1 ZINC000832868678 601102486 /nfs/dbraw/zinc/10/24/86/601102486.db2.gz RKUJIKVRYBCXLR-CYBMUJFWSA-N -1 0 342.178 3.921 20 0 EHADRM Cc1ccc(NC(=O)c2cccn2Cc2cccs2)cc1C(=O)[O-] ZINC000178260483 601109046 /nfs/dbraw/zinc/10/90/46/601109046.db2.gz VZHUGMSCWUTALA-UHFFFAOYSA-N -1 0 340.404 3.857 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)NCC2(c3ccccc3)CCCC2)C1 ZINC000183972012 601126386 /nfs/dbraw/zinc/12/63/86/601126386.db2.gz NWXMIJULDDZOMC-HOTGVXAUSA-N -1 0 329.440 3.506 20 0 EHADRM C[C@H]1c2ccccc2CN1C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000828528208 601130595 /nfs/dbraw/zinc/13/05/95/601130595.db2.gz SIWZIDBDUMTDDW-LBPRGKRZSA-N -1 0 325.368 3.910 20 0 EHADRM Cc1c(NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)cccc1C(=O)[O-] ZINC000678975679 601135025 /nfs/dbraw/zinc/13/50/25/601135025.db2.gz MRELMOQLPMKAKA-UHFFFAOYSA-N -1 0 348.358 3.505 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1ccc(Oc3ccccc3)o1)C2 ZINC000833324432 601138303 /nfs/dbraw/zinc/13/83/03/601138303.db2.gz FLOWDAAHMJGHRI-UHFFFAOYSA-N -1 0 349.342 3.926 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)c(F)cc1F ZINC000832865275 601138597 /nfs/dbraw/zinc/13/85/97/601138597.db2.gz YPPWKMBTYLXRDC-UHFFFAOYSA-N -1 0 334.322 3.635 20 0 EHADRM CC1(C)CCC[C@H]1N(Cc1ccccc1)C(=O)NCCCC(=O)[O-] ZINC000414621432 601138718 /nfs/dbraw/zinc/13/87/18/601138718.db2.gz FLMRPSFTABLFBN-MRXNPFEDSA-N -1 0 332.444 3.642 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2nc3ccc(Cl)cc3s2)C1 ZINC000316080544 601146061 /nfs/dbraw/zinc/14/60/61/601146061.db2.gz QLMSPUASZIGULX-DTWKUNHWSA-N -1 0 338.816 3.779 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])c(F)cc1F ZINC000388878876 601151709 /nfs/dbraw/zinc/15/17/09/601151709.db2.gz YKMPOYRBEFFFDS-UHFFFAOYSA-N -1 0 325.698 3.877 20 0 EHADRM Cc1ccc(CCCC(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)s1 ZINC000776619941 601158415 /nfs/dbraw/zinc/15/84/15/601158415.db2.gz ATALIQLUVPKUTG-QGZVFWFLSA-N -1 0 331.437 3.664 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Cc1cc2ccccc2o1)c1ccccc1 ZINC000826031509 601170518 /nfs/dbraw/zinc/17/05/18/601170518.db2.gz OXUVBNOJZARZMA-BFUOFWGJSA-N -1 0 337.375 3.554 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)OCc2ccc(Cl)c3cccnc23)C1 ZINC000833189263 601176718 /nfs/dbraw/zinc/17/67/18/601176718.db2.gz QWCMBNNOQWRHPW-RYUDHWBXSA-N -1 0 347.798 3.822 20 0 EHADRM C[C@H](c1ccccc1)[C@H](C)NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237615321 601184171 /nfs/dbraw/zinc/18/41/71/601184171.db2.gz NZSRLICCMSYVDR-GJZGRUSLSA-N -1 0 325.408 3.626 20 0 EHADRM CCc1[nH]c(C(=O)N[C@H](C)[C@H](C)c2ccccc2)c(C)c1C(=O)[O-] ZINC000830190501 601184756 /nfs/dbraw/zinc/18/47/56/601184756.db2.gz BAQSOUVFCQUZDR-WCQYABFASA-N -1 0 328.412 3.506 20 0 EHADRM O=C([O-])CC1(NC(=O)c2[nH]c3ccccc3c2Cl)CCCCC1 ZINC000531748387 601186126 /nfs/dbraw/zinc/18/61/26/601186126.db2.gz YPQRJCKCTLEHIO-UHFFFAOYSA-N -1 0 334.803 3.729 20 0 EHADRM O=C([O-])CC1(NC(=O)c2ccc(N3CCCCC3)cc2)CCCCC1 ZINC000663119160 601186734 /nfs/dbraw/zinc/18/67/34/601186734.db2.gz FLJQJMZVZXUZQV-UHFFFAOYSA-N -1 0 344.455 3.584 20 0 EHADRM CSCc1cc(C(=O)NC2(CC(=O)[O-])CCCCC2)ccc1F ZINC000538505526 601187204 /nfs/dbraw/zinc/18/72/04/601187204.db2.gz ZPJDQOPMHYZVLT-UHFFFAOYSA-N -1 0 339.432 3.596 20 0 EHADRM Nc1cc(Cl)c(Cl)c(C(=O)O[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000833090406 601190040 /nfs/dbraw/zinc/19/00/40/601190040.db2.gz KERLDFPQJDNQHA-ZDUSSCGKSA-N -1 0 340.162 3.558 20 0 EHADRM CCS[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000830158170 601192649 /nfs/dbraw/zinc/19/26/49/601192649.db2.gz SCXHZBUPJBEEAT-VXGBXAGGSA-N -1 0 340.420 3.710 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)c1cccc(C(F)(F)F)c1F ZINC000833026124 601195519 /nfs/dbraw/zinc/19/55/19/601195519.db2.gz WPPSGUMPUUSBPB-UHFFFAOYSA-N -1 0 346.232 3.801 20 0 EHADRM Cc1cnc(C(C)(C)NC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)s1 ZINC000832985112 601198083 /nfs/dbraw/zinc/19/80/83/601198083.db2.gz BURKLTIQQAKFPO-UHFFFAOYSA-N -1 0 348.428 3.623 20 0 EHADRM O=C([O-])c1cc(C(=O)Nc2cccc(Nc3ccccc3)c2)ccn1 ZINC000238183675 601246192 /nfs/dbraw/zinc/24/61/92/601246192.db2.gz YSVXWZOYCUHLFF-UHFFFAOYSA-N -1 0 333.347 3.776 20 0 EHADRM C[C@H](c1ccccc1)N(C)C(=O)CNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000827940045 601246547 /nfs/dbraw/zinc/24/65/47/601246547.db2.gz CINZQURVDJIGNM-GFCCVEGCSA-N -1 0 346.814 3.670 20 0 EHADRM O=C([O-])c1sc(N(Cc2cccc(F)c2)C2CC2)nc1Cl ZINC000833346975 601250867 /nfs/dbraw/zinc/25/08/67/601250867.db2.gz UHWAPNJBFXZKHZ-UHFFFAOYSA-N -1 0 326.780 3.803 20 0 EHADRM Cc1nc(-c2cccnc2)nc(Nc2ccc(CCC(=O)[O-])cc2)c1C ZINC000832993334 601251559 /nfs/dbraw/zinc/25/15/59/601251559.db2.gz SMPKWEGJQRGFKS-UHFFFAOYSA-N -1 0 348.406 3.916 20 0 EHADRM CN(C(=O)[C@@H]1C[C@H]1C1CC1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000830457205 601261865 /nfs/dbraw/zinc/26/18/65/601261865.db2.gz JHYIELZMCYNHRX-WDMOLILDSA-N -1 0 342.222 3.624 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1nc(C(C)(C)C)cs1 ZINC000828784873 601271261 /nfs/dbraw/zinc/27/12/61/601271261.db2.gz MHXNVYAVRRMTAH-UHFFFAOYSA-N -1 0 327.450 3.596 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C/C=C\c1ccc(F)cc1)c1ccc(F)cc1 ZINC000362441284 601278100 /nfs/dbraw/zinc/27/81/00/601278100.db2.gz QOZCYHMELJCJLP-NLVOMGJBSA-N -1 0 345.345 3.700 20 0 EHADRM C[C@H](C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)C1CCCC1 ZINC000826007827 601278382 /nfs/dbraw/zinc/27/83/82/601278382.db2.gz AZTBATRSLGFGJL-ZDUSSCGKSA-N -1 0 330.428 3.750 20 0 EHADRM COc1cccc(C(C)=CC(=O)Oc2ccc(NC(=O)[O-])cc2)c1 ZINC000832528968 601279071 /nfs/dbraw/zinc/27/90/71/601279071.db2.gz SVTIUSHIWBVTPI-BENRWUELSA-N -1 0 327.336 3.794 20 0 EHADRM C[C@@H](C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1)C1CCCC1 ZINC000825991203 601279230 /nfs/dbraw/zinc/27/92/30/601279230.db2.gz YUWITKBMTUGGBL-GFCCVEGCSA-N -1 0 340.423 3.577 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C/C=C\c1cccc(F)c1 ZINC000485879588 601279322 /nfs/dbraw/zinc/27/93/22/601279322.db2.gz ZFGIAVPSAPXSKJ-HYXAFXHYSA-N -1 0 327.355 3.586 20 0 EHADRM O=C([O-])Cc1sc(NC(=O)CCC2CCC2)nc1-c1ccccc1 ZINC000833269147 601280820 /nfs/dbraw/zinc/28/08/20/601280820.db2.gz CMFSOQSBGSXLKR-UHFFFAOYSA-N -1 0 344.436 3.956 20 0 EHADRM CCCCN(C(=O)c1ccnc(C(=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC000829373019 601281084 /nfs/dbraw/zinc/28/10/84/601281084.db2.gz BYJMRTFLWLNQCZ-AWEZNQCLSA-N -1 0 326.396 3.783 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)[C@@H]1CC12CCCC2 ZINC000676018518 601281573 /nfs/dbraw/zinc/28/15/73/601281573.db2.gz JYUSYIUILFEXKQ-ZDUSSCGKSA-N -1 0 329.421 3.796 20 0 EHADRM Cc1ccc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)c(F)c1 ZINC000237626481 601282868 /nfs/dbraw/zinc/28/28/68/601282868.db2.gz ZIFYTVJDLMKEGM-UHFFFAOYSA-N -1 0 333.384 3.704 20 0 EHADRM Cc1ccc([C@H](CNC(=O)C/C=C/c2ccc(F)cc2)C(=O)[O-])cc1 ZINC000486405171 601283744 /nfs/dbraw/zinc/28/37/44/601283744.db2.gz NJBBTQJDMKPKBO-DCKQQPRJSA-N -1 0 341.382 3.522 20 0 EHADRM Cc1ccc(SCC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000237742908 601298043 /nfs/dbraw/zinc/29/80/43/601298043.db2.gz JKWKSGCQFUMRKQ-KDOFPFPSSA-N -1 0 343.448 3.665 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cc(Cl)ccc1F)c1ccccc1 ZINC000237753471 601298749 /nfs/dbraw/zinc/29/87/49/601298749.db2.gz GKVYZMLNQHFKNR-BMIGLBTASA-N -1 0 335.762 3.671 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Nc1ccccc1Cl)c1ccc(F)cc1 ZINC000833198194 601299046 /nfs/dbraw/zinc/29/90/46/601299046.db2.gz CZRXWFBVOMZBQV-AWEZNQCLSA-N -1 0 336.750 3.817 20 0 EHADRM Cc1cc(C)c(NC(=O)CNc2ccc(C)c(C(=O)[O-])c2)c(C)c1 ZINC000832875560 601302319 /nfs/dbraw/zinc/30/23/19/601302319.db2.gz ZUIKXXSCXVWNNQ-UHFFFAOYSA-N -1 0 326.396 3.669 20 0 EHADRM O=C([O-])CN(Cc1ncc(-c2cccc(F)c2)o1)Cc1ccccc1 ZINC000833249589 601304789 /nfs/dbraw/zinc/30/47/89/601304789.db2.gz MYMSUPAWXUVVNJ-UHFFFAOYSA-N -1 0 340.354 3.568 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000262061619 601307360 /nfs/dbraw/zinc/30/73/60/601307360.db2.gz BGZNKDFGGIIZIF-CYBMUJFWSA-N -1 0 345.361 3.872 20 0 EHADRM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000828148943 601336629 /nfs/dbraw/zinc/33/66/29/601336629.db2.gz FVNLYLYORATBPM-DOMZBBRYSA-N -1 0 342.370 3.934 20 0 EHADRM C[C@@H](OC(=O)CCc1ccc(C(=O)[O-])cc1)c1ncc(C(C)(C)C)o1 ZINC000827833715 601339411 /nfs/dbraw/zinc/33/94/11/601339411.db2.gz NIRPSGWPLDYKNT-GFCCVEGCSA-N -1 0 345.395 3.907 20 0 EHADRM O=C([O-])c1cnc(N(C(=O)C/C=C\c2ccc(F)cc2)C2CC2)s1 ZINC000833337823 601350963 /nfs/dbraw/zinc/35/09/63/601350963.db2.gz KBYFKTFUSDENTL-UPHRSURJSA-N -1 0 346.383 3.579 20 0 EHADRM O=C([O-])c1ccc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)s1 ZINC000035426833 601357492 /nfs/dbraw/zinc/35/74/92/601357492.db2.gz PBSLZMMNOSLFHN-BQYQJAHWSA-N -1 0 343.813 3.512 20 0 EHADRM Cc1ccc2[nH]c(-c3nc(COc4cccc(C(=O)[O-])c4)no3)cc2c1 ZINC000832958393 601363645 /nfs/dbraw/zinc/36/36/45/601363645.db2.gz ANOIROQMPZHULG-UHFFFAOYSA-N -1 0 349.346 3.804 20 0 EHADRM O=C([O-])c1cccc(OCc2noc(Cc3ccc(Cl)cc3)n2)c1 ZINC000833333437 601368537 /nfs/dbraw/zinc/36/85/37/601368537.db2.gz NFUKAAYXNDMAMS-UHFFFAOYSA-N -1 0 344.754 3.591 20 0 EHADRM CCc1ccc([C@@H](C)NC(=O)COc2ccccc2NC(=O)[O-])cc1 ZINC000830238055 601368722 /nfs/dbraw/zinc/36/87/22/601368722.db2.gz NYCKPQXWUYSZQI-CYBMUJFWSA-N -1 0 342.395 3.595 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1cccc(-c2ccnc(C)n2)c1 ZINC000830379202 601390443 /nfs/dbraw/zinc/39/04/43/601390443.db2.gz MZEVCIVPIQYJCI-UHFFFAOYSA-N -1 0 337.379 3.918 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CNc1cccc(OCC(F)(F)F)c1 ZINC000833025462 601390613 /nfs/dbraw/zinc/39/06/13/601390613.db2.gz LXAYULJNSACVGC-UHFFFAOYSA-N -1 0 329.274 3.839 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000828757941 601391833 /nfs/dbraw/zinc/39/18/33/601391833.db2.gz FGRVMZJVASTXSN-GFCCVEGCSA-N -1 0 345.395 3.736 20 0 EHADRM C[C@@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccc(Cl)s1 ZINC000190919466 601394271 /nfs/dbraw/zinc/39/42/71/601394271.db2.gz URVPHIQOMRCTGA-SNVBAGLBSA-N -1 0 337.828 3.862 20 0 EHADRM C/C(=C\C(=O)N[C@@H](C(=O)[O-])c1cccs1)c1cccc(Cl)c1 ZINC000825716760 601397343 /nfs/dbraw/zinc/39/73/43/601397343.db2.gz OCQDYLYPTOEIDJ-TUPIDYKKSA-N -1 0 335.812 3.747 20 0 EHADRM C/C(=C\COC(=O)Cc1sc(C)nc1-c1ccc(C)cc1)C(=O)[O-] ZINC000825769419 601404767 /nfs/dbraw/zinc/40/47/67/601404767.db2.gz PQBPQCOGSQLPGB-XYOKQWHBSA-N -1 0 345.420 3.544 20 0 EHADRM C/C(=C/COC(=O)c1cc(-c2ccco2)nc2ccccc21)C(=O)[O-] ZINC000825770498 601406620 /nfs/dbraw/zinc/40/66/20/601406620.db2.gz ZAVJPUNCTZZTSW-WQLSENKSSA-N -1 0 337.331 3.683 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000828758078 601407493 /nfs/dbraw/zinc/40/74/93/601407493.db2.gz GSUDOMWAEXAQPP-KSSFIOAISA-N -1 0 341.407 3.762 20 0 EHADRM CC[C@H](C)[C@H](C)NC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000828709711 601413685 /nfs/dbraw/zinc/41/36/85/601413685.db2.gz SQAJLBUXCAUMOS-MJVIPROJSA-N -1 0 326.824 3.590 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN(CC)Cc1ccc(OC)cc1OC ZINC000830363878 601414918 /nfs/dbraw/zinc/41/49/18/601414918.db2.gz ZIQKOASNSBJWFK-UHFFFAOYSA-N -1 0 347.411 3.580 20 0 EHADRM Cc1ccc([C@@H](C)N(C)C(=O)NCC2(C(=O)[O-])CCCC2)c(C)c1 ZINC000832921039 601424866 /nfs/dbraw/zinc/42/48/66/601424866.db2.gz JYOKNCZUBYJOSC-OAHLLOKOSA-N -1 0 332.444 3.651 20 0 EHADRM C/C(=C/COC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000825758629 601427366 /nfs/dbraw/zinc/42/73/66/601427366.db2.gz MYDZAKJFZZQIEP-YAEJEKNGSA-N -1 0 330.302 3.773 20 0 EHADRM CC[C@@H](CNC(=O)c1cccc(NC(=O)[O-])c1)Oc1ccccc1C ZINC000828884710 601427456 /nfs/dbraw/zinc/42/74/56/601427456.db2.gz ZZMKFBGSDQLSIF-INIZCTEOSA-N -1 0 342.395 3.672 20 0 EHADRM O=C([O-])CC1(NC(=O)CSc2cc(Cl)ccc2Cl)CCC1 ZINC000094290993 601431184 /nfs/dbraw/zinc/43/11/84/601431184.db2.gz XFQRKEURLOXJHI-UHFFFAOYSA-N -1 0 348.251 3.599 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)Cc2coc3cc(F)ccc23)cc1 ZINC000833286981 601437259 /nfs/dbraw/zinc/43/72/59/601437259.db2.gz ZMCIJPXIHVXXRO-UHFFFAOYSA-N -1 0 328.299 3.843 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)[C@H](C)c1ccc(Cl)s1 ZINC000832524060 601447209 /nfs/dbraw/zinc/44/72/09/601447209.db2.gz PQARASZQRQXBTR-MRVPVSSYSA-N -1 0 340.784 3.817 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)C/C=C\c1cccc(F)c1 ZINC000832524098 601447354 /nfs/dbraw/zinc/44/73/54/601447354.db2.gz QBJZHNPAAULJQZ-UTCJRWHESA-N -1 0 330.311 3.541 20 0 EHADRM Cc1csc([C@@H](OC(=O)c2ccc(C(=O)[O-])cc2)C(F)(F)F)n1 ZINC000821146751 601451410 /nfs/dbraw/zinc/45/14/10/601451410.db2.gz HOUVWTJQGROTOM-SNVBAGLBSA-N -1 0 345.298 3.610 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccc(OC3CCC3)c(F)c2)C1 ZINC000180131088 601454335 /nfs/dbraw/zinc/45/43/35/601454335.db2.gz SDTJUTADMXUXGH-VXGBXAGGSA-N -1 0 335.375 3.587 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cccc(OCc2cccs2)c1 ZINC000237132830 601462158 /nfs/dbraw/zinc/46/21/58/601462158.db2.gz FYHZLRZVQCJJKQ-GOSISDBHSA-N -1 0 347.436 3.700 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)c1csc(C(C)(C)C)n1 ZINC000830395238 601464660 /nfs/dbraw/zinc/46/46/60/601464660.db2.gz WMLXRMNMZMSUFR-UHFFFAOYSA-N -1 0 337.397 3.651 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)Cc1c[nH]c2cccc(C)c12 ZINC000830388636 601464965 /nfs/dbraw/zinc/46/49/65/601464965.db2.gz HBXKHEJQGPPKKP-UHFFFAOYSA-N -1 0 341.363 3.616 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)c1scnc1C(C)(C)C ZINC000830394797 601467814 /nfs/dbraw/zinc/46/78/14/601467814.db2.gz MSUYBKFTSRSVFK-UHFFFAOYSA-N -1 0 337.397 3.651 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000237047794 601469248 /nfs/dbraw/zinc/46/92/48/601469248.db2.gz REKTVSVOEDELLJ-KRWDZBQOSA-N -1 0 335.787 3.973 20 0 EHADRM O=C([O-])[C@@H](OC(=O)C/C=C\c1ccc(F)cc1)c1ccccc1F ZINC000833096039 601470956 /nfs/dbraw/zinc/47/09/56/601470956.db2.gz GJZNEDOMXRWNQQ-LIMHQNJXSA-N -1 0 332.302 3.737 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)/C=C\Sc1ccccc1 ZINC000833193952 601477537 /nfs/dbraw/zinc/47/75/37/601477537.db2.gz SOKROSSYQBOQPH-FWFZHJKVSA-N -1 0 339.416 3.503 20 0 EHADRM Cc1ccc2oc(C(=O)N3CCc4ccccc4[C@H]3C(=O)[O-])cc2c1 ZINC000326824501 601477914 /nfs/dbraw/zinc/47/79/14/601477914.db2.gz YXQJMBUABBQZRE-SFHVURJKSA-N -1 0 335.359 3.565 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)N(C[C@H]2CCCO2)C2CCCC2)c1 ZINC000833290386 601479304 /nfs/dbraw/zinc/47/93/04/601479304.db2.gz ZYZRHWHPGPPPEV-MRXNPFEDSA-N -1 0 347.415 3.732 20 0 EHADRM COc1cccc([C@H](C)CC(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000832528741 601484066 /nfs/dbraw/zinc/48/40/66/601484066.db2.gz PNSRAZHORLDQRU-KZULUSFZSA-N -1 0 346.354 3.697 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000385929484 601484294 /nfs/dbraw/zinc/48/42/94/601484294.db2.gz AAHDPJHNOICJIC-UHFFFAOYSA-N -1 0 328.771 3.588 20 0 EHADRM CCOc1cc(NC(=O)N2CCC(CCC(=O)[O-])CC2)ccc1C ZINC000656601934 601485884 /nfs/dbraw/zinc/48/58/84/601485884.db2.gz CMUFLDGIWROSOT-UHFFFAOYSA-N -1 0 334.416 3.502 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)/C=C\c1ccc(Cl)s1 ZINC000321407330 601489893 /nfs/dbraw/zinc/48/98/93/601489893.db2.gz AXBUVYHQEMRVQF-IOBAAEILSA-N -1 0 347.823 3.625 20 0 EHADRM C[C@@H]1CC/C(=C\C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC000828200269 601498483 /nfs/dbraw/zinc/49/84/83/601498483.db2.gz DRBPEEURMDZWIW-MBFWDRTGSA-N -1 0 328.412 3.670 20 0 EHADRM CC(C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1)=C1CCCC1 ZINC000825977347 601501743 /nfs/dbraw/zinc/50/17/43/601501743.db2.gz DXRDLKOWLZQKGG-UHFFFAOYSA-N -1 0 337.366 3.659 20 0 EHADRM Cc1ccc(NC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)c(C)c1 ZINC000237655640 601525003 /nfs/dbraw/zinc/52/50/03/601525003.db2.gz NEOIEQAOGLMGSB-UHFFFAOYSA-N -1 0 327.380 3.636 20 0 EHADRM Cc1cc(C(=O)N(C)[C@H](C)c2ccccc2)cc(C)c1OCC(=O)[O-] ZINC000237412177 601528456 /nfs/dbraw/zinc/52/84/56/601528456.db2.gz HSZFCEWVTYMMDJ-OAHLLOKOSA-N -1 0 341.407 3.600 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CC1CCC(c2ccccc2)CC1)C1CC1 ZINC000767076608 601530740 /nfs/dbraw/zinc/53/07/40/601530740.db2.gz NWVPDQDQSXGRLZ-PVARCSIZSA-N -1 0 329.440 3.720 20 0 EHADRM Cc1cc(C(=O)N(C2CC2)C2CCCCC2)cc(C)c1OCC(=O)[O-] ZINC000679094077 601531916 /nfs/dbraw/zinc/53/19/16/601531916.db2.gz OHHPXYHNDAZCSD-UHFFFAOYSA-N -1 0 345.439 3.704 20 0 EHADRM C[C@@H](CC(=O)N[C@H](CC(=O)[O-])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000767075249 601533559 /nfs/dbraw/zinc/53/35/59/601533559.db2.gz WFDSASMBAITAJT-IINYFYTJSA-N -1 0 343.345 3.569 20 0 EHADRM O=C([O-])NCCCC(=O)N1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000833279876 601544995 /nfs/dbraw/zinc/54/49/95/601544995.db2.gz QYPIKMQCAROIGA-QOHRORDFSA-N -1 0 330.428 3.519 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc3ccc(Cl)cc3n2)c(F)c1 ZINC000479417263 601556800 /nfs/dbraw/zinc/55/68/00/601556800.db2.gz ZFWABJHHECGRCZ-UHFFFAOYSA-N -1 0 344.729 3.978 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)c1ccc2ccc(Cl)cc2n1 ZINC000833158953 601557643 /nfs/dbraw/zinc/55/76/43/601557643.db2.gz RJIJOXMWQFIPKN-UHFFFAOYSA-N -1 0 344.729 3.978 20 0 EHADRM O=C([O-])CCCSc1cc(C(F)(F)F)nc(-c2ccncc2)n1 ZINC000833229226 601565484 /nfs/dbraw/zinc/56/54/84/601565484.db2.gz VHEBJOMLTFACSG-UHFFFAOYSA-N -1 0 343.330 3.514 20 0 EHADRM O=C([O-])C1(CNC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)CCCC1 ZINC000678982069 601601870 /nfs/dbraw/zinc/60/18/70/601601870.db2.gz AZXVOBCQHFMLJV-ZWKOTPCHSA-N -1 0 337.419 3.705 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)[C@H]1CCSc2ccccc21 ZINC000428099685 601613806 /nfs/dbraw/zinc/61/38/06/601613806.db2.gz COWSTCLXYBVTBL-AWEZNQCLSA-N -1 0 327.405 3.532 20 0 EHADRM Cc1ccc(SCCC(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000237771538 601614295 /nfs/dbraw/zinc/61/42/95/601614295.db2.gz STBPLOJFFSLOTB-UHFFFAOYSA-N -1 0 329.421 3.743 20 0 EHADRM C[C@H](CNC(=O)Nc1ccccc1Oc1ccccc1Cl)C(=O)[O-] ZINC000827493558 601616038 /nfs/dbraw/zinc/61/60/38/601616038.db2.gz VYJHWDNGOJZHFR-LLVKDONJSA-N -1 0 348.786 3.975 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)C1(Cc2ccccc2)CC1)c1ccccc1 ZINC000826025634 601618153 /nfs/dbraw/zinc/61/81/53/601618153.db2.gz DQNBPHVYJMFQLQ-CRAIPNDOSA-N -1 0 337.419 3.588 20 0 EHADRM O=C([O-])c1ccc(CN(Cc2ccc(F)cc2F)C2CC2)cc1F ZINC000833314519 601620483 /nfs/dbraw/zinc/62/04/83/601620483.db2.gz KRHZXQAMZQGNHV-UHFFFAOYSA-N -1 0 335.325 3.967 20 0 EHADRM CCCOc1ccc(NC(=O)N[C@@H](CC(=O)[O-])C2CC2)cc1Cl ZINC000829532583 601620537 /nfs/dbraw/zinc/62/05/37/601620537.db2.gz TWBBKVWZIZFCSZ-ZDUSSCGKSA-N -1 0 340.807 3.504 20 0 EHADRM CCCCS[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000262191684 601621439 /nfs/dbraw/zinc/62/14/39/601621439.db2.gz PYTYMOKHKIEGEE-FZMZJTMJSA-N -1 0 343.876 3.894 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccccc1O[C@@H](C)c1ccccc1)C(=O)[O-] ZINC000653539166 601624808 /nfs/dbraw/zinc/62/48/08/601624808.db2.gz UZCRDMIEWPSBRG-KBPBESRZSA-N -1 0 342.395 3.669 20 0 EHADRM O=C([O-])[C@H]1CCCCN1C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000238050915 601625345 /nfs/dbraw/zinc/62/53/45/601625345.db2.gz BJHRWMYRKNLLCR-QGZVFWFLSA-N -1 0 325.364 3.558 20 0 EHADRM COC(=O)c1ccc(Cl)cc1OCc1ccc(C(=O)[O-])c(F)c1 ZINC000831384981 601631080 /nfs/dbraw/zinc/63/10/80/601631080.db2.gz ITEUNPTUBKWJIA-UHFFFAOYSA-N -1 0 338.718 3.543 20 0 EHADRM Cc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(C(=O)[O-])c(F)c1)CCC2 ZINC000574292328 601634676 /nfs/dbraw/zinc/63/46/76/601634676.db2.gz LKQIRKQXWUSICT-OAHLLOKOSA-N -1 0 334.416 3.798 20 0 EHADRM C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000828510112 601635093 /nfs/dbraw/zinc/63/50/93/601635093.db2.gz WRSGMBHXGWLUHF-LPMFXHHGSA-N -1 0 343.398 3.874 20 0 EHADRM CCCCC[C@H](NC(=O)c1nc(-c2ccccc2F)oc1C)C(=O)[O-] ZINC000761845953 601640014 /nfs/dbraw/zinc/64/00/14/601640014.db2.gz LQTRLZFIQNIRDM-AWEZNQCLSA-N -1 0 348.374 3.552 20 0 EHADRM O=C([O-])c1ccc(OC(=O)c2cnc(Cc3ccccc3)s2)cc1 ZINC000833322304 601642612 /nfs/dbraw/zinc/64/26/12/601642612.db2.gz ZYPKRFDAKKPBSV-UHFFFAOYSA-N -1 0 339.372 3.651 20 0 EHADRM CCCCC[C@@H](NC(=O)c1cc(F)c(Cl)cc1Cl)C(=O)[O-] ZINC000236836416 601642879 /nfs/dbraw/zinc/64/28/79/601642879.db2.gz XJEBSWLJDRQHFS-GFCCVEGCSA-N -1 0 336.190 3.896 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)ccc1F ZINC000833158778 601644994 /nfs/dbraw/zinc/64/49/94/601644994.db2.gz XLBQZPXMCKIPID-UHFFFAOYSA-N -1 0 345.223 3.934 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NCc1csc(C(C)(C)C)n1)c1ccccc1 ZINC000277534946 601657142 /nfs/dbraw/zinc/65/71/42/601657142.db2.gz ZJKZBFARCIMKFB-DOMZBBRYSA-N -1 0 332.469 3.992 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000833334445 601658749 /nfs/dbraw/zinc/65/87/49/601658749.db2.gz OCSMXNKTULPUQA-MAUKXSAKSA-N -1 0 335.403 3.543 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)CCCc1cc(Cl)sc1Cl ZINC000237256676 601663425 /nfs/dbraw/zinc/66/34/25/601663425.db2.gz PYIBAVLCBVSFOI-UHFFFAOYSA-N -1 0 338.256 3.701 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)C1 ZINC000369707969 601663799 /nfs/dbraw/zinc/66/37/99/601663799.db2.gz YFJHWDLFCUSMTO-CVEARBPZSA-N -1 0 347.842 3.847 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N(CCC(F)(F)F)CC2CC2)cc1 ZINC000238061540 601665216 /nfs/dbraw/zinc/66/52/16/601665216.db2.gz YWCWLHQFUGYVOJ-UHFFFAOYSA-N -1 0 343.345 3.508 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)CCCc2ccc(F)c(F)c2)cc1 ZINC000833289051 601667338 /nfs/dbraw/zinc/66/73/38/601667338.db2.gz FFBAXQFTFWMLSS-UHFFFAOYSA-N -1 0 335.306 3.983 20 0 EHADRM Cc1nc(CC(C)C)c(C(=O)Nc2ccc(NC(=O)[O-])cc2)s1 ZINC000832998826 601668248 /nfs/dbraw/zinc/66/82/48/601668248.db2.gz NQLWWMWTBZWPJT-UHFFFAOYSA-N -1 0 333.413 3.992 20 0 EHADRM CC(C)C[C@H](C)OCCC(=O)Oc1ccc(Cl)cc1C(=O)[O-] ZINC000826764328 601670884 /nfs/dbraw/zinc/67/08/84/601670884.db2.gz SVGZNKPDWBDODA-NSHDSACASA-N -1 0 328.792 3.785 20 0 EHADRM Cc1nc(CC(C)C)c(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)s1 ZINC000261724062 601674717 /nfs/dbraw/zinc/67/47/17/601674717.db2.gz GIZZNQVNNAKSSE-UHFFFAOYSA-N -1 0 332.425 3.909 20 0 EHADRM C[C@](NC(=O)CCCc1csc2ccccc12)(C(=O)[O-])C1CC1 ZINC000237436846 601678900 /nfs/dbraw/zinc/67/89/00/601678900.db2.gz USRPCWXWAFYDJC-GOSISDBHSA-N -1 0 331.437 3.594 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000826648116 601696015 /nfs/dbraw/zinc/69/60/15/601696015.db2.gz UNUVJFAEKGJULV-ZFWWWQNUSA-N -1 0 333.453 3.538 20 0 EHADRM Cc1cc(C(=O)NCC(C)(C)C(=O)[O-])c(C)n1[C@@H](C)c1ccccc1 ZINC000237636902 601708780 /nfs/dbraw/zinc/70/87/80/601708780.db2.gz UYWCVYDGSVLQOT-AWEZNQCLSA-N -1 0 342.439 3.555 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N(CCC(F)(F)F)CC2CC2)c(F)c1 ZINC000821547078 601719459 /nfs/dbraw/zinc/71/94/59/601719459.db2.gz GMZJHIHPHAWKMK-UHFFFAOYSA-N -1 0 348.296 3.720 20 0 EHADRM Cc1c(C(=O)OCc2ccc(C(=O)[O-])c(F)c2)cnc2ccccc12 ZINC000832854411 601733113 /nfs/dbraw/zinc/73/31/13/601733113.db2.gz XQNPDPHEAQCRNK-UHFFFAOYSA-N -1 0 339.322 3.738 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2ccc(F)cc2s1)c1ccccc1F ZINC000833124324 601743953 /nfs/dbraw/zinc/74/39/53/601743953.db2.gz ACSGAVIOSHJQIB-HNNXBMFYSA-N -1 0 347.342 3.735 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC000676218854 601751072 /nfs/dbraw/zinc/75/10/72/601751072.db2.gz DNNXVDPQWQGVKX-MRXNPFEDSA-N -1 0 347.798 3.512 20 0 EHADRM CCCC[C@@H](NC(=O)Nc1ccc(OCC(=O)[O-])cc1)C1CCC1 ZINC000829296719 601751906 /nfs/dbraw/zinc/75/19/06/601751906.db2.gz XLSJHAZYXSWYQF-MRXNPFEDSA-N -1 0 334.416 3.630 20 0 EHADRM C[C@@]1(c2ccccc2)CCN(C(=O)Nc2cc(C(=O)[O-])ccc2F)C1 ZINC000828128340 601778919 /nfs/dbraw/zinc/77/89/19/601778919.db2.gz QKXNEXVOJVXSFD-LJQANCHMSA-N -1 0 342.370 3.719 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000833329663 601779598 /nfs/dbraw/zinc/77/95/98/601779598.db2.gz GYVYSQAXYOGHTG-CQSZACIVSA-N -1 0 328.343 3.545 20 0 EHADRM COc1cc2nc(/C=C\c3c[nH]c(C(=O)[O-])c3)sc2cc1OC ZINC000832112304 601793119 /nfs/dbraw/zinc/79/31/19/601793119.db2.gz RHKRADYRHNUDHC-ARJAWSKDSA-N -1 0 330.365 3.510 20 0 EHADRM Cc1ccc(NC(=O)N2C[C@H](C)[C@H](C(=O)[O-])C2)cc1OCCC(C)C ZINC000832944520 601794943 /nfs/dbraw/zinc/79/49/43/601794943.db2.gz GIEBZPFFZKYHQP-GOEBONIOSA-N -1 0 348.443 3.604 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c1 ZINC000237303941 601799787 /nfs/dbraw/zinc/79/97/87/601799787.db2.gz VWZXFGOJGQXLCC-KSSFIOAISA-N -1 0 341.407 3.521 20 0 EHADRM COc1cccc([C@H](C)CC(=O)Oc2cc(OC)ccc2C(=O)[O-])c1 ZINC000832533814 601800200 /nfs/dbraw/zinc/80/02/00/601800200.db2.gz QIGZAPPCANZMID-GFCCVEGCSA-N -1 0 344.363 3.501 20 0 EHADRM CC(=O)c1ccc(CC(=O)Nc2scc(C3CC3)c2C(=O)[O-])cc1 ZINC000825946674 601808747 /nfs/dbraw/zinc/80/87/47/601808747.db2.gz KJOYVQMOWMFWBU-UHFFFAOYSA-N -1 0 343.404 3.708 20 0 EHADRM O=C([O-])c1c(C2CC2)csc1NC(=O)[C@@H]1Cc2ccccc2S1 ZINC000833295680 601810318 /nfs/dbraw/zinc/81/03/18/601810318.db2.gz XVPCTSCPEFIWNO-ZDUSSCGKSA-N -1 0 345.445 3.979 20 0 EHADRM C[C@H]1CCC[C@H](CCSCc2noc(CCCC(=O)[O-])n2)C1 ZINC000828238929 601812858 /nfs/dbraw/zinc/81/28/58/601812858.db2.gz LQPLPOYIOKJMJH-QWHCGFSZSA-N -1 0 326.462 3.927 20 0 EHADRM C[C@H](C(=O)NC[C@@H](C(=O)[O-])c1ccccc1)c1ccc2ccccc2c1 ZINC000826005023 601813021 /nfs/dbraw/zinc/81/30/21/601813021.db2.gz RBDHVBKSMRZMJQ-MGPUTAFESA-N -1 0 347.414 3.928 20 0 EHADRM Cc1ccc(CCCCC(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000538583490 601815867 /nfs/dbraw/zinc/81/58/67/601815867.db2.gz IVFZLDIWAXVMKQ-UHFFFAOYSA-N -1 0 331.456 3.811 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N(c2ccc(F)cc2)C2CCCC2)C1 ZINC000833186817 601821250 /nfs/dbraw/zinc/82/12/50/601821250.db2.gz VUYVGNZPNSUJPN-UONOGXRCSA-N -1 0 333.403 3.992 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)N[C@@H](c2ccccc2)C2CCC2)CC1 ZINC000659396057 601826699 /nfs/dbraw/zinc/82/66/99/601826699.db2.gz FOCUSLIYECOMDY-IBGZPJMESA-N -1 0 344.455 3.814 20 0 EHADRM O=C([O-])c1cc(CNc2cccc(COCc3ccco3)c2)c[nH]1 ZINC000833297006 601831916 /nfs/dbraw/zinc/83/19/16/601831916.db2.gz BULWPXLONHTGAL-UHFFFAOYSA-N -1 0 326.352 3.635 20 0 EHADRM CN(Cc1ccsc1C(=O)[O-])Cc1nc(C(F)(F)F)cs1 ZINC000563284787 601837558 /nfs/dbraw/zinc/83/75/58/601837558.db2.gz VYRGSIQTVPNDBW-UHFFFAOYSA-N -1 0 336.360 3.554 20 0 EHADRM O=C([O-])c1ccc(CSc2nccn2Cc2ccccc2)s1 ZINC000833317674 601846106 /nfs/dbraw/zinc/84/61/06/601846106.db2.gz ZARNLVYLDBCRSF-UHFFFAOYSA-N -1 0 330.434 3.983 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2cncc(-c3ccccc3)c2)c1 ZINC000833320141 601847607 /nfs/dbraw/zinc/84/76/07/601847607.db2.gz WTPBYMIYTOLPRC-UHFFFAOYSA-N -1 0 336.322 3.838 20 0 EHADRM Cc1ccc([C@@H](NC(=O)NCc2cccc(C(=O)[O-])c2)C2CC2)cc1 ZINC000666513205 601848675 /nfs/dbraw/zinc/84/86/75/601848675.db2.gz NICWYAXVSIROIJ-GOSISDBHSA-N -1 0 338.407 3.644 20 0 EHADRM CS[C@H](C(=O)Oc1ccc(SCC(=O)[O-])cc1)c1ccccc1 ZINC000832736338 601878634 /nfs/dbraw/zinc/87/86/34/601878634.db2.gz TZZULVJPPNRTJL-INIZCTEOSA-N -1 0 348.445 3.873 20 0 EHADRM CCC[C@@H]1CCCN(C(=O)c2ccccc2S[C@@H](C)C(=O)[O-])C1 ZINC000191620502 601891182 /nfs/dbraw/zinc/89/11/82/601891182.db2.gz XNHSAVUZKFWZRG-UONOGXRCSA-N -1 0 335.469 3.904 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CN1CCO[C@@](C)(c2ccccc2)C1 ZINC000577286432 601897041 /nfs/dbraw/zinc/89/70/41/601897041.db2.gz QSCSPGPULWXCLB-GOSISDBHSA-N -1 0 331.437 3.502 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)C2CCC(NC(=O)[O-])CC2)c1 ZINC000739251183 601904281 /nfs/dbraw/zinc/90/42/81/601904281.db2.gz UKILBYBBCWCSMS-IYXRBSQSSA-N -1 0 334.416 3.629 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)CCc1c[nH]c2ccccc12 ZINC000262222484 601909466 /nfs/dbraw/zinc/90/94/66/601909466.db2.gz UCEZYZLAPYRPIS-FUHWJXTLSA-N -1 0 342.439 3.640 20 0 EHADRM C[C@@H](CNc1ccccc1)NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000827511909 601915781 /nfs/dbraw/zinc/91/57/81/601915781.db2.gz CAPLSJJAHZVRCN-NSHDSACASA-N -1 0 347.802 3.660 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2cc(Cl)nc3ccccc32)c1 ZINC000326103770 601924440 /nfs/dbraw/zinc/92/44/40/601924440.db2.gz YIIVRKIVHJBJDI-UHFFFAOYSA-N -1 0 340.766 3.516 20 0 EHADRM CC(C)N(C(=S)NCCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000826924819 601954112 /nfs/dbraw/zinc/95/41/12/601954112.db2.gz PLGSIQGMQHZIQN-UHFFFAOYSA-N -1 0 348.390 3.660 20 0 EHADRM O=C([O-])Nc1cc(C(=O)NC(C2CC2)C2CC2)cc(C(F)(F)F)c1 ZINC000833281774 601960507 /nfs/dbraw/zinc/96/05/07/601960507.db2.gz OCUNFWMQKXHAAW-UHFFFAOYSA-N -1 0 342.317 3.714 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000261610761 601983106 /nfs/dbraw/zinc/98/31/06/601983106.db2.gz DPUWIJBUDBRXAU-FQEVSTJZSA-N -1 0 336.391 3.586 20 0 EHADRM Cc1cc(C(=O)O[C@H](C(=O)[O-])c2ccccc2F)c(Cl)cc1F ZINC000832867928 601985003 /nfs/dbraw/zinc/98/50/03/601985003.db2.gz GNPAKUGMIKMZNJ-AWEZNQCLSA-N -1 0 340.709 3.909 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cc3ccccc3c(Cl)n2)cn1 ZINC000740712616 601993921 /nfs/dbraw/zinc/99/39/21/601993921.db2.gz ZQPRKCZPLJCVCV-UHFFFAOYSA-N -1 0 342.742 3.625 20 0 EHADRM C[C@@H](COC(=O)c1cccc(NC(=O)[O-])c1)COc1ccccc1 ZINC000827517652 601995246 /nfs/dbraw/zinc/99/52/46/601995246.db2.gz SVZGWTDULWSHFP-CYBMUJFWSA-N -1 0 329.352 3.648 20 0 EHADRM Cc1ccc(NC(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1OCCC(C)C ZINC000263135340 601996790 /nfs/dbraw/zinc/99/67/90/601996790.db2.gz YYDVUYNYQIROAV-LJQANCHMSA-N -1 0 348.443 3.748 20 0 EHADRM C[C@@H]1CCC[C@@H](C(=O)N(C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)C1 ZINC000828234170 601998091 /nfs/dbraw/zinc/99/80/91/601998091.db2.gz WCIOCKBAPYXESN-IQMDTDKHSA-N -1 0 343.345 3.514 20 0 EHADRM COc1ccc2cc(NC(=O)c3cccc(NC(=O)[O-])c3)ccc2n1 ZINC000738078478 601998949 /nfs/dbraw/zinc/99/89/49/601998949.db2.gz HJCBQBZDBHIOEQ-UHFFFAOYSA-N -1 0 337.335 3.586 20 0 EHADRM O=C([O-])c1ccc(COC(=O)CCOc2cccc(Cl)c2)s1 ZINC000833103076 602004050 /nfs/dbraw/zinc/00/40/50/602004050.db2.gz MRIFFEBFQCMSQU-UHFFFAOYSA-N -1 0 340.784 3.612 20 0 EHADRM CN(C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1)c1nccs1 ZINC000830524109 602007751 /nfs/dbraw/zinc/00/77/51/602007751.db2.gz UWPZNJPCBQODFN-UHFFFAOYSA-N -1 0 345.302 3.528 20 0 EHADRM Cc1ccc2cccc(C(=O)OCc3ccc(C(=O)[O-])s3)c2n1 ZINC000832961933 602011348 /nfs/dbraw/zinc/01/13/48/602011348.db2.gz ICCYGPAMPJNELU-UHFFFAOYSA-N -1 0 327.361 3.660 20 0 EHADRM O=C([O-])CN(Cc1ccn(C2CCCC2)n1)Cc1ccc(Cl)cc1 ZINC000566363341 602015136 /nfs/dbraw/zinc/01/51/36/602015136.db2.gz IGYXXJSUXBCZHX-UHFFFAOYSA-N -1 0 347.846 3.738 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cncc(-c2ccccc2)c1)c1ccccc1 ZINC000833352129 602016212 /nfs/dbraw/zinc/01/62/12/602016212.db2.gz ZNJRKJVSHOMSRD-SFHVURJKSA-N -1 0 333.343 3.731 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)C[C@H]1C ZINC000828384846 602021560 /nfs/dbraw/zinc/02/15/60/602021560.db2.gz CYHDSHGTDMFTLN-DTORHVGOSA-N -1 0 330.306 3.523 20 0 EHADRM COc1cccc([C@H](C)C(=O)Nc2cc(NC(=O)[O-])ccc2F)c1 ZINC000739944774 602025628 /nfs/dbraw/zinc/02/56/28/602025628.db2.gz GZPIKYKIMOFAAJ-JTQLQIEISA-N -1 0 332.331 3.666 20 0 EHADRM CCc1cccc(CC)c1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000324678190 602026751 /nfs/dbraw/zinc/02/67/51/602026751.db2.gz NVGXFBCGYMVZST-UHFFFAOYSA-N -1 0 326.396 3.831 20 0 EHADRM Cc1cc(Cl)cc(C(=O)Nc2nc(CCCC(=O)[O-])cs2)c1 ZINC000316863515 602032650 /nfs/dbraw/zinc/03/26/50/602032650.db2.gz PHVITRXSPITGSE-UHFFFAOYSA-N -1 0 338.816 3.765 20 0 EHADRM CCOCc1cccc(NC(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])c1 ZINC000830022605 602037328 /nfs/dbraw/zinc/03/73/28/602037328.db2.gz WLOVZCRHSOSYLB-IRXDYDNUSA-N -1 0 348.443 3.768 20 0 EHADRM CC(C)Oc1cc(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])ccn1 ZINC000827038515 602054537 /nfs/dbraw/zinc/05/45/37/602054537.db2.gz PPPIFJCXNPZKGQ-UHFFFAOYSA-N -1 0 346.408 3.758 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)/C=C/SCc1ccco1)c1ccccc1 ZINC000828595346 602054709 /nfs/dbraw/zinc/05/47/09/602054709.db2.gz WTTVZXGEQNHMAS-YBHKSSGVSA-N -1 0 345.420 3.923 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000325674615 602066746 /nfs/dbraw/zinc/06/67/46/602066746.db2.gz MMCDAVBZKBXKAZ-UHFFFAOYSA-N -1 0 327.311 3.760 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)Nc3cccc(CC(=O)[O-])c3)c2c1 ZINC000237862995 602067105 /nfs/dbraw/zinc/06/71/05/602067105.db2.gz CSHRNJICZCEZTP-UHFFFAOYSA-N -1 0 336.391 3.675 20 0 EHADRM Cc1cccc2c1CC[C@@H]2NC(=O)NCCCCCCCC(=O)[O-] ZINC000832974963 602068150 /nfs/dbraw/zinc/06/81/50/602068150.db2.gz TUMHBPFPCCHCSJ-KRWDZBQOSA-N -1 0 332.444 3.707 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000263186062 602068895 /nfs/dbraw/zinc/06/88/95/602068895.db2.gz WTXPTVISISZKJP-XKQJLSEDSA-N -1 0 333.428 3.626 20 0 EHADRM CCOc1ccc(-c2nc(NC(=O)[C@H](C)CC(=O)[O-])sc2C)cc1 ZINC000830054250 602079156 /nfs/dbraw/zinc/07/91/56/602079156.db2.gz WTVOXKIGZRNGLO-SNVBAGLBSA-N -1 0 348.424 3.567 20 0 EHADRM O=C([O-])[C@H](OC(=O)Cc1ccsc1)c1cc(Cl)cc(Cl)c1 ZINC000833120269 602081064 /nfs/dbraw/zinc/08/10/64/602081064.db2.gz VNXATMHNHHFFJY-CYBMUJFWSA-N -1 0 345.203 3.967 20 0 EHADRM Cc1cccc(C(=O)O[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)n1 ZINC000832963521 602082106 /nfs/dbraw/zinc/08/21/06/602082106.db2.gz WBEWSQRRNYYITI-CYBMUJFWSA-N -1 0 340.162 3.680 20 0 EHADRM CCCCO[C@@H](C)C(=O)O[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000829413849 602084678 /nfs/dbraw/zinc/08/46/78/602084678.db2.gz YOCMIPHBYKZZTH-ZANVPECISA-N -1 0 349.210 3.868 20 0 EHADRM Cc1cc(C(=O)Nc2ccccc2C(=O)[O-])c(Br)s1 ZINC000832867602 602098172 /nfs/dbraw/zinc/09/81/72/602098172.db2.gz ZNHJAJTWYMSHIH-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM CSCCc1ccc(NC(=O)C2(NC(=O)[O-])CCCCC2)cc1 ZINC000740015013 602099393 /nfs/dbraw/zinc/09/93/93/602099393.db2.gz SNWVLZYWZNRXOZ-UHFFFAOYSA-N -1 0 336.457 3.501 20 0 EHADRM C[C@@H](CC(=O)[O-])c1nc(-c2ccc(Oc3ccccc3)nc2)no1 ZINC000827391707 602102760 /nfs/dbraw/zinc/10/27/60/602102760.db2.gz IQAJPYQRMRZGIC-NSHDSACASA-N -1 0 325.324 3.502 20 0 EHADRM CCC[C@](C)(NC(=O)[O-])C(=O)Nc1ccc(SC(F)F)cc1 ZINC000739296569 602103107 /nfs/dbraw/zinc/10/31/07/602103107.db2.gz AAUORJFRLXCDPO-AWEZNQCLSA-N -1 0 332.372 3.766 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)N(CC2CC2)C2CCCCC2)cc1 ZINC000740670921 602103653 /nfs/dbraw/zinc/10/36/53/602103653.db2.gz KEPACMWZUIHOAD-UHFFFAOYSA-N -1 0 330.428 3.639 20 0 EHADRM CSc1cc(C(=O)N2CCCC[C@H]2C(=O)[O-])c(Cl)cc1Cl ZINC000128609438 602108610 /nfs/dbraw/zinc/10/86/10/602108610.db2.gz QXIIJYLCEIMYAX-NSHDSACASA-N -1 0 348.251 3.795 20 0 EHADRM CCO[C@@H](CC(=O)Oc1c(C(=O)[O-])ccc2ccccc21)C(C)C ZINC000829912611 602109360 /nfs/dbraw/zinc/10/93/60/602109360.db2.gz LUESSSPULHOKFF-INIZCTEOSA-N -1 0 330.380 3.895 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)Nc1ccc2oc(C(C)C)nc2c1 ZINC000739230757 602121582 /nfs/dbraw/zinc/12/15/82/602121582.db2.gz GHIOFJAPNCLQQY-QMTHXVAHSA-N -1 0 333.388 3.572 20 0 EHADRM C[C@@H](SCC(=O)[O-])c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000827902850 602121970 /nfs/dbraw/zinc/12/19/70/602121970.db2.gz VJDGASBZFCEVEI-ZCFIWIBFSA-N -1 0 333.196 3.922 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc2sccc2c1)c1ccc(F)cc1 ZINC000345790363 602122255 /nfs/dbraw/zinc/12/22/55/602122255.db2.gz YNUYAWVEBRBHHO-OAHLLOKOSA-N -1 0 343.379 3.986 20 0 EHADRM Cc1cc(OCc2noc(-c3ccccc3C)n2)c(C(=O)[O-])s1 ZINC000832900830 602125928 /nfs/dbraw/zinc/12/59/28/602125928.db2.gz PDMUEBZEUASGFY-UHFFFAOYSA-N -1 0 330.365 3.692 20 0 EHADRM CC(C)Sc1ccccc1NCC(=O)Nc1ccccc1C(=O)[O-] ZINC000827072601 602129955 /nfs/dbraw/zinc/12/99/55/602129955.db2.gz GWUGDYCWSQAJGP-UHFFFAOYSA-N -1 0 344.436 3.936 20 0 EHADRM CCc1oc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)cc1C ZINC000190738112 602131090 /nfs/dbraw/zinc/13/10/90/602131090.db2.gz SOHLQUPLTCJFMQ-UHFFFAOYSA-N -1 0 331.368 3.888 20 0 EHADRM Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)[C@@H](C)CC(=O)[O-])c1 ZINC000832963794 602132912 /nfs/dbraw/zinc/13/29/12/602132912.db2.gz PGRAFYGXYOHRLP-ZDUSSCGKSA-N -1 0 343.427 3.528 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000827272675 602138554 /nfs/dbraw/zinc/13/85/54/602138554.db2.gz PDSSEIWLDOBXCE-ZIAGYGMSSA-N -1 0 327.380 3.767 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)NCc1ccccc1-c1ccc(Cl)cc1 ZINC000827297221 602141010 /nfs/dbraw/zinc/14/10/10/602141010.db2.gz YJPQYFMALWFRMQ-GFCCVEGCSA-N -1 0 331.799 3.734 20 0 EHADRM C[C@@H](Sc1nnc(-c2cccs2)n1Cc1ccccc1)C(=O)[O-] ZINC000739053845 602142248 /nfs/dbraw/zinc/14/22/48/602142248.db2.gz UGCQISHRNUFZMU-LLVKDONJSA-N -1 0 345.449 3.620 20 0 EHADRM CCC(=O)c1ccc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000828573823 602151321 /nfs/dbraw/zinc/15/13/21/602151321.db2.gz CRBPHKKLBRUWTG-UHFFFAOYSA-N -1 0 331.755 3.883 20 0 EHADRM CC[C@H](NC(=O)[O-])C(=O)Nc1cc(F)ccc1Oc1ccccc1 ZINC000739532859 602155095 /nfs/dbraw/zinc/15/50/95/602155095.db2.gz PXPBKQDWNZTPMG-ZDUSSCGKSA-N -1 0 332.331 3.603 20 0 EHADRM Cc1cccc(COc2cccc(NC(=O)[C@@H](C)CC(=O)[O-])c2)c1 ZINC000832967020 602158880 /nfs/dbraw/zinc/15/88/80/602158880.db2.gz MTUVBBPYMBDKIF-AWEZNQCLSA-N -1 0 327.380 3.623 20 0 EHADRM CCS[C@H](C)c1noc(COc2ccc(Cl)cc2C(=O)[O-])n1 ZINC000830151455 602158897 /nfs/dbraw/zinc/15/88/97/602158897.db2.gz YTKVKZOZAHOTHH-MRVPVSSYSA-N -1 0 342.804 3.814 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc(C(F)(F)F)ccc1F)C1CCCCC1 ZINC000325430112 602169523 /nfs/dbraw/zinc/16/95/23/602169523.db2.gz YYWNYBXNKGCRCK-CYBMUJFWSA-N -1 0 347.308 3.608 20 0 EHADRM COc1cc(OC)cc([C@@H](Nc2cccc([C@@H](C)OC)c2)C(=O)[O-])c1 ZINC000832067834 602170727 /nfs/dbraw/zinc/17/07/27/602170727.db2.gz SDZZTEMDYITHHE-KZULUSFZSA-N -1 0 345.395 3.649 20 0 EHADRM COc1ccc(S[C@H](C)C(=O)Nc2ccccc2NC(=O)[O-])cc1 ZINC000739930943 602173782 /nfs/dbraw/zinc/17/37/82/602173782.db2.gz CJPZKFQWTNEHPX-LLVKDONJSA-N -1 0 346.408 3.904 20 0 EHADRM CC(C)Oc1cccc(CC(=O)Nc2ccccc2NC(=O)[O-])c1 ZINC000738866459 602174138 /nfs/dbraw/zinc/17/41/38/602174138.db2.gz RGLNPRJIPZJAKK-UHFFFAOYSA-N -1 0 328.368 3.745 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N(C)[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000827240529 602174803 /nfs/dbraw/zinc/17/48/03/602174803.db2.gz MANRHHILHCTODL-CABCVRRESA-N -1 0 325.408 3.984 20 0 EHADRM CC(C)(C)n1nc(C(=O)Nc2ccccc2NC(=O)[O-])cc1C1CC1 ZINC000738729618 602175278 /nfs/dbraw/zinc/17/52/78/602175278.db2.gz LEKFNKDBALGIKW-UHFFFAOYSA-N -1 0 342.399 3.858 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2ccn(-c3ccccc3Cl)n2)c1 ZINC000191358001 602180431 /nfs/dbraw/zinc/18/04/31/602180431.db2.gz KGOVNVJEWJHROJ-UHFFFAOYSA-N -1 0 347.783 3.538 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1 ZINC000827317348 602182574 /nfs/dbraw/zinc/18/25/74/602182574.db2.gz LEMUMFFFIIKOOW-SECBINFHSA-N -1 0 337.297 3.820 20 0 EHADRM Cc1cc(C)c2cc(C(=O)Nc3cc(C(=O)[O-])cs3)sc2n1 ZINC000832875769 602185202 /nfs/dbraw/zinc/18/52/02/602185202.db2.gz WMTIEMHGOMLHNS-UHFFFAOYSA-N -1 0 332.406 3.925 20 0 EHADRM COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000569771427 602185882 /nfs/dbraw/zinc/18/58/82/602185882.db2.gz GSLYAKMRXCUKNB-LBPRGKRZSA-N -1 0 345.420 3.904 20 0 EHADRM COc1ccc(C(C)(C)C(=O)Oc2ccc(NC(=O)[O-])cc2)cc1 ZINC000832216682 602188513 /nfs/dbraw/zinc/18/85/13/602188513.db2.gz IDGBHRXQRUNTDT-UHFFFAOYSA-N -1 0 329.352 3.668 20 0 EHADRM CSc1cc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c(Cl)cc1Cl ZINC000237296687 602196194 /nfs/dbraw/zinc/19/61/94/602196194.db2.gz ZTBTWOAOKUWZQQ-CQSZACIVSA-N -1 0 348.251 3.652 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2CCCc3c(F)ccc(F)c32)c1 ZINC000833288564 602198836 /nfs/dbraw/zinc/19/88/36/602198836.db2.gz BCUBQNSAJDYYBU-UHFFFAOYSA-N -1 0 332.306 3.648 20 0 EHADRM CC(C)Sc1ccccc1NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000827072568 602199260 /nfs/dbraw/zinc/19/92/60/602199260.db2.gz FMBMGOOPTWJSNE-UHFFFAOYSA-N -1 0 345.420 3.903 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000740674490 602200346 /nfs/dbraw/zinc/20/03/46/602200346.db2.gz RMUUFBNFFLSUFU-NWDGAFQWSA-N -1 0 344.333 3.761 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)CCOc2ccc(Cl)cc2)c1 ZINC000740676025 602200730 /nfs/dbraw/zinc/20/07/30/602200730.db2.gz KTTBHDARYPICGY-UHFFFAOYSA-N -1 0 348.786 3.515 20 0 EHADRM CC(C)c1ccc(OCC(=O)Nc2cccc(CNC(=O)[O-])c2)cc1 ZINC000738877294 602203305 /nfs/dbraw/zinc/20/33/05/602203305.db2.gz SAUWGVHFBSVUFJ-UHFFFAOYSA-N -1 0 342.395 3.595 20 0 EHADRM O=C([O-])N1CCC(n2cccc2C(=O)Nc2cccc(Cl)c2)CC1 ZINC000740469004 602229864 /nfs/dbraw/zinc/22/98/64/602229864.db2.gz KUYPXFXOEQXRSW-UHFFFAOYSA-N -1 0 347.802 3.709 20 0 EHADRM CC(C)COc1ccc([C@H](C)NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000180133265 602232883 /nfs/dbraw/zinc/23/28/83/602232883.db2.gz WYSURKWHPWUXOG-UAGQMJEPSA-N -1 0 347.455 3.790 20 0 EHADRM CC(C)COc1ccc([C@H](C)NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000245769061 602232891 /nfs/dbraw/zinc/23/28/91/602232891.db2.gz WYSURKWHPWUXOG-BHYGNILZSA-N -1 0 347.455 3.790 20 0 EHADRM Cc1ccc(CNC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1 ZINC000832931825 602234663 /nfs/dbraw/zinc/23/46/63/602234663.db2.gz RIRNMGKGPJOVLR-QGZVFWFLSA-N -1 0 340.423 3.646 20 0 EHADRM C[C@@H]1CCCC[C@@H]1NC(=S)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739098358 602234821 /nfs/dbraw/zinc/23/48/21/602234821.db2.gz KENXZRXHXFFCHF-RISCZKNCSA-N -1 0 333.457 3.592 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)NC2(Cc3ccccc3)CCC2)cc1 ZINC000833102162 602236742 /nfs/dbraw/zinc/23/67/42/602236742.db2.gz MULRWLKUIWXUQO-UHFFFAOYSA-N -1 0 337.419 3.599 20 0 EHADRM C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000828528440 602236846 /nfs/dbraw/zinc/23/68/46/602236846.db2.gz UHQLRNPLLBDUPP-JTQLQIEISA-N -1 0 346.333 3.814 20 0 EHADRM Cc1ccc2c(CC(=O)Nc3ccc4c(c3)CCN4C(=O)[O-])c[nH]c2c1 ZINC000740152124 602237570 /nfs/dbraw/zinc/23/75/70/602237570.db2.gz BLXQWHVUOCFJLT-UHFFFAOYSA-N -1 0 349.390 3.698 20 0 EHADRM CSc1ccc(C(=O)N2CCN(C(=O)[O-])Cc3ccccc32)cc1 ZINC000740022135 602245265 /nfs/dbraw/zinc/24/52/65/602245265.db2.gz QKSOQGOZLDXSLY-UHFFFAOYSA-N -1 0 342.420 3.549 20 0 EHADRM Cc1cc(C(=O)N2CCN(C(=O)[O-])Cc3ccccc32)sc1C ZINC000740055688 602245334 /nfs/dbraw/zinc/24/53/34/602245334.db2.gz QFPBOPSFVPQIBX-UHFFFAOYSA-N -1 0 330.409 3.505 20 0 EHADRM CCn1cc(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])c2ccccc21 ZINC000739564830 602252371 /nfs/dbraw/zinc/25/23/71/602252371.db2.gz UPRGCOVWBPMEPT-UHFFFAOYSA-N -1 0 349.390 3.954 20 0 EHADRM Cc1oc(-c2ccccc2)nc1CN1CCCC[C@H]1[C@H](C)NC(=O)[O-] ZINC000740271441 602263920 /nfs/dbraw/zinc/26/39/20/602263920.db2.gz OPSLLKXJYNSCKW-GUYCJALGSA-N -1 0 343.427 3.661 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000827873392 602265017 /nfs/dbraw/zinc/26/50/17/602265017.db2.gz HYVKFNJUJFSFLM-LLVKDONJSA-N -1 0 326.414 3.617 20 0 EHADRM CCC(CC)(CC)C(=O)O[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000828810125 602268953 /nfs/dbraw/zinc/26/89/53/602268953.db2.gz HCGBDEFQEOKINR-ZDUSSCGKSA-N -1 0 349.427 3.780 20 0 EHADRM CC(C)C[C@H]1CCCN1C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000738825952 602276330 /nfs/dbraw/zinc/27/63/30/602276330.db2.gz ZZTUKUVWXDKRBT-OAHLLOKOSA-N -1 0 331.416 3.770 20 0 EHADRM CCOCCC1(CNC(=O)Nc2ccc(C(=O)[O-])c(C)c2)CCCC1 ZINC000829994261 602277729 /nfs/dbraw/zinc/27/77/29/602277729.db2.gz IWDSCOUHROTOHS-UHFFFAOYSA-N -1 0 348.443 3.802 20 0 EHADRM C[C@H](NC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])c1cccs1 ZINC000738988873 602281286 /nfs/dbraw/zinc/28/12/86/602281286.db2.gz PGZIXABWDIXMSJ-JTQLQIEISA-N -1 0 331.397 3.671 20 0 EHADRM CC(C)[C@@H](NC(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)C(=O)[O-] ZINC000776590216 602284748 /nfs/dbraw/zinc/28/47/48/602284748.db2.gz DCCLXJCEZGBQDP-SVTZGKHISA-N -1 0 349.736 3.511 20 0 EHADRM COc1ccc([C@H]2CCCN2C(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000832272607 602290004 /nfs/dbraw/zinc/29/00/04/602290004.db2.gz IJRBFVXASIJJAH-CQSZACIVSA-N -1 0 346.408 3.824 20 0 EHADRM C[C@H](CC(=O)Nc1cccc(CSCC(=O)[O-])c1)c1ccncc1 ZINC000827241817 602294677 /nfs/dbraw/zinc/29/46/77/602294677.db2.gz YSNVAMAMIZAQJZ-CYBMUJFWSA-N -1 0 344.436 3.532 20 0 EHADRM CCCC1(C(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)CCC1 ZINC000829231179 602304252 /nfs/dbraw/zinc/30/42/52/602304252.db2.gz SONLLSZVZDILSZ-UHFFFAOYSA-N -1 0 340.423 3.721 20 0 EHADRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)ccc1Cl ZINC000388878665 602324163 /nfs/dbraw/zinc/32/41/63/602324163.db2.gz YISZGFMMCGBAOC-UHFFFAOYSA-N -1 0 325.698 3.877 20 0 EHADRM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)C1CCC(NC(=O)[O-])CC1 ZINC000739706432 602338114 /nfs/dbraw/zinc/33/81/14/602338114.db2.gz YXHDFYBNBUATPU-UHFFFAOYSA-N -1 0 346.471 3.769 20 0 EHADRM Cc1ccc(CC(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c(Cl)c1 ZINC000832927766 602350073 /nfs/dbraw/zinc/35/00/73/602350073.db2.gz BCPPUIDMCHEZGN-CQSZACIVSA-N -1 0 343.810 3.796 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)cc1F ZINC000833116644 602354354 /nfs/dbraw/zinc/35/43/54/602354354.db2.gz LCGDSCYJZMIYQZ-UHFFFAOYSA-N -1 0 346.745 3.840 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(Br)s2)cc1F ZINC000224827517 602355457 /nfs/dbraw/zinc/35/54/57/602355457.db2.gz XSQHWWOKDMXZOL-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM C[C@@H](CCOc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000767207239 602361310 /nfs/dbraw/zinc/36/13/10/602361310.db2.gz KURYXGWPDGQTTK-LBPRGKRZSA-N -1 0 331.343 3.568 20 0 EHADRM CN(c1ccccc1NC(=O)NCCCCCC(=O)[O-])C1CCCC1 ZINC000417758844 602368549 /nfs/dbraw/zinc/36/85/49/602368549.db2.gz HGNQAOVPWVNSIP-UHFFFAOYSA-N -1 0 347.459 3.832 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H](c2cccs2)C2CC2)cc1F ZINC000833153491 602369599 /nfs/dbraw/zinc/36/95/99/602369599.db2.gz IXCMUVZVFZMKAM-AWEZNQCLSA-N -1 0 334.372 3.858 20 0 EHADRM O=C([O-])NC1CCC(C(=O)Nc2ccc(Cl)c3ncccc23)CC1 ZINC000740557370 602370134 /nfs/dbraw/zinc/37/01/34/602370134.db2.gz KWDHAMZKPRXYQI-UHFFFAOYSA-N -1 0 347.802 3.653 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000828685095 602371490 /nfs/dbraw/zinc/37/14/90/602371490.db2.gz DWUFQOHHSDWDCU-GOSISDBHSA-N -1 0 330.359 3.971 20 0 EHADRM Cc1ccccc1C1(CNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000832981323 602374702 /nfs/dbraw/zinc/37/47/02/602374702.db2.gz GPKGSYACMBJGAF-UHFFFAOYSA-N -1 0 342.370 3.686 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)[C@H](C)c1ccccc1 ZINC000827671819 602375865 /nfs/dbraw/zinc/37/58/65/602375865.db2.gz LFZPPNYEYXAOAE-NWDGAFQWSA-N -1 0 330.359 3.838 20 0 EHADRM CCCOc1ccccc1NC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000829541646 602376688 /nfs/dbraw/zinc/37/66/88/602376688.db2.gz RTZZIPRYBYTHMY-UHFFFAOYSA-N -1 0 332.331 3.957 20 0 EHADRM CN(Cc1cc2ccccc2o1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000830811190 602378685 /nfs/dbraw/zinc/37/86/85/602378685.db2.gz RNGPGCDKEVGUHV-UHFFFAOYSA-N -1 0 342.326 3.934 20 0 EHADRM C[C@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000828528732 602379833 /nfs/dbraw/zinc/37/98/33/602379833.db2.gz ZYBVBIKYSQAPKA-JTQLQIEISA-N -1 0 346.333 3.814 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C)C(=O)C1CCC(NC(=O)[O-])CC1 ZINC000739057005 602381252 /nfs/dbraw/zinc/38/12/52/602381252.db2.gz HDYWTLNOYVQMKC-PNESKVBLSA-N -1 0 338.835 3.686 20 0 EHADRM CC[C@H](NC(=O)[O-])C(=O)N(C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000739521976 602382236 /nfs/dbraw/zinc/38/22/36/602382236.db2.gz XLRODJNHEVOVOC-UFBFGSQYSA-N -1 0 333.215 3.559 20 0 EHADRM Cc1ccc(CC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c(Cl)c1 ZINC000832927838 602391664 /nfs/dbraw/zinc/39/16/64/602391664.db2.gz BZIMEUWXULRSFJ-FZKQIMNGSA-N -1 0 345.826 3.769 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1F ZINC000392431463 602394396 /nfs/dbraw/zinc/39/43/96/602394396.db2.gz WQJXHHPQBGNYFU-UHFFFAOYSA-N -1 0 327.355 3.974 20 0 EHADRM CCCN(C(=O)NCCCNC(=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000739353482 602395677 /nfs/dbraw/zinc/39/56/77/602395677.db2.gz SVLBQLWOKSYLKT-ZDUSSCGKSA-N -1 0 347.415 3.573 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N(CC(=O)[O-])C1CCCC1 ZINC000832848850 602400041 /nfs/dbraw/zinc/40/00/41/602400041.db2.gz OOZGOYPDVJTFCY-UHFFFAOYSA-N -1 0 335.400 3.818 20 0 EHADRM CCCc1nc(C)c(-c2nc([C@H](CC(C)C)NC(=O)[O-])no2)s1 ZINC000739377846 602408729 /nfs/dbraw/zinc/40/87/29/602408729.db2.gz DPNRGFWKMRETGL-JTQLQIEISA-N -1 0 338.433 3.809 20 0 EHADRM CCc1ccccc1OCc1nc([C@@H](CC(C)C)NC(=O)[O-])no1 ZINC000739548254 602408752 /nfs/dbraw/zinc/40/87/52/602408752.db2.gz CYTAZUQXOYZQGP-CYBMUJFWSA-N -1 0 333.388 3.566 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(-c2ccc3ccccc3n2)n1 ZINC000738814989 602410674 /nfs/dbraw/zinc/41/06/74/602410674.db2.gz FCKBNMRGQTVKBZ-AWEZNQCLSA-N -1 0 326.356 3.640 20 0 EHADRM CSCc1ccc(-c2nc([C@H](CC(C)C)NC(=O)[O-])no2)cc1 ZINC000740013892 602411197 /nfs/dbraw/zinc/41/11/97/602411197.db2.gz GDQIHBQEQHLHSC-ZDUSSCGKSA-N -1 0 335.429 3.954 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)c1nc(C2(NC(=O)[O-])CCCC2)no1 ZINC000738944779 602411868 /nfs/dbraw/zinc/41/18/68/602411868.db2.gz OTCIPPWGDWUPCE-NSHDSACASA-N -1 0 333.363 3.592 20 0 EHADRM O=C([O-])NC1(c2noc([C@@H]3C[C@H]3c3ccc(F)cc3)n2)CCCC1 ZINC000740548928 602413640 /nfs/dbraw/zinc/41/36/40/602413640.db2.gz MHLGBWZAEDOURQ-QWHCGFSZSA-N -1 0 331.347 3.517 20 0 EHADRM O=C([O-])NC1(c2noc(CSc3ccc(F)cc3)n2)CCCC1 ZINC000740549304 602413710 /nfs/dbraw/zinc/41/37/10/602413710.db2.gz RMRWKFSXZYNJDP-UHFFFAOYSA-N -1 0 337.376 3.538 20 0 EHADRM O=C([O-])NC1(c2noc(C[C@H]3CCCc4ccccc43)n2)CCCC1 ZINC000740550456 602415511 /nfs/dbraw/zinc/41/55/11/602415511.db2.gz XHYSHMPQTBVVHG-CQSZACIVSA-N -1 0 341.411 3.769 20 0 EHADRM O=C([O-])NC1(c2noc(-c3ccc(Cl)cc3Cl)n2)CCC1 ZINC000740548134 602415662 /nfs/dbraw/zinc/41/56/62/602415662.db2.gz NKBNOKXIQXSMDR-UHFFFAOYSA-N -1 0 328.155 3.690 20 0 EHADRM O=C([O-])NC1(c2noc([C@H]3CCC[C@H](C(F)(F)F)C3)n2)CCC1 ZINC000740550504 602418746 /nfs/dbraw/zinc/41/87/46/602418746.db2.gz XUXRNSXTDKCSJF-IUCAKERBSA-N -1 0 333.310 3.553 20 0 EHADRM Cc1ccc(-c2nc(COc3cccc(CNC(=O)[O-])c3)co2)cc1 ZINC000740097338 602426308 /nfs/dbraw/zinc/42/63/08/602426308.db2.gz JDSSBXHCZZVAIS-UHFFFAOYSA-N -1 0 338.363 3.997 20 0 EHADRM COc1ccc(NC(=O)c2cccc(C(F)F)c2)cc1NC(=O)[O-] ZINC000739920704 602432235 /nfs/dbraw/zinc/43/22/35/602432235.db2.gz VZCGZTMSIQTZOX-UHFFFAOYSA-N -1 0 336.294 3.975 20 0 EHADRM C[C@H](c1ccccc1F)N(C)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739059566 602450516 /nfs/dbraw/zinc/45/05/16/602450516.db2.gz LCGKSNDABFUTQZ-GFCCVEGCSA-N -1 0 345.374 3.818 20 0 EHADRM Cc1ccccc1CN(C)C(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000740185440 602454551 /nfs/dbraw/zinc/45/45/51/602454551.db2.gz VWHJDLHKHBXETO-SFHVURJKSA-N -1 0 340.423 3.743 20 0 EHADRM Cc1cccc(C)c1NC(=S)N[C@@H](CNC(=O)[O-])C1CCCCC1 ZINC000740166009 602459666 /nfs/dbraw/zinc/45/96/66/602459666.db2.gz IAFNFEFTZGORJA-HNNXBMFYSA-N -1 0 349.500 3.806 20 0 EHADRM CN(C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1)c1ccccc1F ZINC000739573691 602471042 /nfs/dbraw/zinc/47/10/42/602471042.db2.gz LSJDYXRXRPLRNC-OAHLLOKOSA-N -1 0 330.359 3.578 20 0 EHADRM CCOc1ccc(CN(C)C(=O)c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000739501752 602481681 /nfs/dbraw/zinc/48/16/81/602481681.db2.gz LPACJEZUAGWUTO-UHFFFAOYSA-N -1 0 346.358 3.587 20 0 EHADRM C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739058411 602482422 /nfs/dbraw/zinc/48/24/22/602482422.db2.gz PFQCHTKTURIZBV-JTQLQIEISA-N -1 0 334.322 3.888 20 0 EHADRM O=C([O-])Nc1cc(C(=O)OCc2ccc3ccccc3n2)ccc1F ZINC000740695074 602482542 /nfs/dbraw/zinc/48/25/42/602482542.db2.gz LAXXMFZGGDTENZ-UHFFFAOYSA-N -1 0 340.310 3.821 20 0 EHADRM O=C([O-])N1CCc2ccc(NC(=O)c3ccnc4ccccc43)cc2C1 ZINC000740466510 602487541 /nfs/dbraw/zinc/48/75/41/602487541.db2.gz PPFBUPVOUVEXMR-UHFFFAOYSA-N -1 0 347.374 3.523 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CC[C@H](c3ccccc3F)C2)cc1 ZINC000738661094 602489598 /nfs/dbraw/zinc/48/95/98/602489598.db2.gz JDRMYNAQWKSPSQ-ZDUSSCGKSA-N -1 0 328.343 3.545 20 0 EHADRM Cc1ccccc1OCCCC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000740196384 602501372 /nfs/dbraw/zinc/50/13/72/602501372.db2.gz YEFHYUXIBXXUAS-UHFFFAOYSA-N -1 0 328.368 3.883 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cccc(Nc3ncccn3)c2)cc1 ZINC000740712173 602502591 /nfs/dbraw/zinc/50/25/91/602502591.db2.gz WMOHNUVBKGRJPH-UHFFFAOYSA-N -1 0 349.350 3.562 20 0 EHADRM COc1ccc(F)cc1C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739909745 602507735 /nfs/dbraw/zinc/50/77/35/602507735.db2.gz KQGYHCDPHHGTJP-UHFFFAOYSA-N -1 0 344.342 3.517 20 0 EHADRM CCCCS[C@@H](C)C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739341924 602509374 /nfs/dbraw/zinc/50/93/74/602509374.db2.gz PHMZLZQBWFYJDH-LBPRGKRZSA-N -1 0 336.457 3.978 20 0 EHADRM CCS[C@@H](C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-])C(C)C ZINC000739518337 602509974 /nfs/dbraw/zinc/50/99/74/602509974.db2.gz HWKLJSWVXNNCNR-OAHLLOKOSA-N -1 0 336.457 3.833 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)Nc1ccccc1NC(=O)[O-] ZINC000739971923 602512533 /nfs/dbraw/zinc/51/25/33/602512533.db2.gz PBYUZUSWVAWDQQ-CYBMUJFWSA-N -1 0 342.395 3.993 20 0 EHADRM Cc1nc(CC(C)C)sc1C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000740221731 602514501 /nfs/dbraw/zinc/51/45/01/602514501.db2.gz JPWYVAHWKKYAKB-UHFFFAOYSA-N -1 0 347.440 3.670 20 0 EHADRM C[C@H](NC(=O)[O-])C(=O)N[C@@H](c1ccccc1)c1cccc2ccccc21 ZINC000738994169 602538078 /nfs/dbraw/zinc/53/80/78/602538078.db2.gz IATQFLLVKHNAPT-LIRRHRJNSA-N -1 0 348.402 3.702 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)NCc3ccc(F)cc3)ccc21 ZINC000740446784 602554636 /nfs/dbraw/zinc/55/46/36/602554636.db2.gz HZNVIZFPKBBYJS-UHFFFAOYSA-N -1 0 343.358 3.578 20 0 EHADRM CC[C@H]1c2ccsc2CCN1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736950158 602562637 /nfs/dbraw/zinc/56/26/37/602562637.db2.gz NXUUTNZPRCBEAP-AWEZNQCLSA-N -1 0 330.409 3.988 20 0 EHADRM CCCCc1noc([C@H](C)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)n1 ZINC000739340163 602570730 /nfs/dbraw/zinc/57/07/30/602570730.db2.gz AKCVVDBCDHZMMJ-LBPRGKRZSA-N -1 0 344.415 3.621 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)cc1C ZINC000740140479 602579619 /nfs/dbraw/zinc/57/96/19/602579619.db2.gz BXKXICVCSVWGNC-DOTOQJQBSA-N -1 0 345.443 3.690 20 0 EHADRM CCN(CCC(F)(F)F)C(=O)Nc1ccc(NC(=O)[O-])c(OC)c1 ZINC000739416104 602588352 /nfs/dbraw/zinc/58/83/52/602588352.db2.gz XSPKTFGLYAYODL-UHFFFAOYSA-N -1 0 349.309 3.591 20 0 EHADRM C[C@H]1C[C@H]1CNC(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000739079549 602598272 /nfs/dbraw/zinc/59/82/72/602598272.db2.gz CGWHKLPHVFMDKF-YUMQZZPRSA-N -1 0 331.294 3.573 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N[C@@H]2CCCOc3ccccc32)cc1 ZINC000740709697 602599758 /nfs/dbraw/zinc/59/97/58/602599758.db2.gz AYRSYIJBOBLZRW-OAHLLOKOSA-N -1 0 341.367 3.812 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NCCOc2cccc(Cl)c2)cc1 ZINC000740710372 602600439 /nfs/dbraw/zinc/60/04/39/602600439.db2.gz CFMXPHAVPLOSGD-UHFFFAOYSA-N -1 0 349.774 3.630 20 0 EHADRM C[C@H](CCc1ccc(O)cc1)NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738908433 602602065 /nfs/dbraw/zinc/60/20/65/602602065.db2.gz PZTIJXIOPRVOII-GFCCVEGCSA-N -1 0 343.383 3.625 20 0 EHADRM Cc1ccccc1OCCN(C)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000740195650 602602320 /nfs/dbraw/zinc/60/23/20/602602320.db2.gz UWUODDHYBVXANG-UHFFFAOYSA-N -1 0 343.383 3.628 20 0 EHADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000738932137 602602546 /nfs/dbraw/zinc/60/25/46/602602546.db2.gz IWUGOPIKDWMCMU-ZDUSSCGKSA-N -1 0 343.383 3.599 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NC2CC(c3ccccc3)C2)cc1 ZINC000738666745 602603396 /nfs/dbraw/zinc/60/33/96/602603396.db2.gz ZTHKTAQZFJEOJV-UHFFFAOYSA-N -1 0 325.368 3.844 20 0 EHADRM C[C@@H](c1ccco1)N(C)C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2 ZINC000739060504 602607635 /nfs/dbraw/zinc/60/76/35/602607635.db2.gz OMOSVNJVBORGPH-LBPRGKRZSA-N -1 0 343.383 3.541 20 0 EHADRM COc1ccc(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])c(Cl)c1 ZINC000739882377 602626502 /nfs/dbraw/zinc/62/65/02/602626502.db2.gz RUHNVZGMCAONBQ-UHFFFAOYSA-N -1 0 346.770 3.641 20 0 EHADRM Cc1cccc(C(=O)Nc2ccc(NC(=O)[O-])cc2C(F)(F)F)n1 ZINC000740163661 602643577 /nfs/dbraw/zinc/64/35/77/602643577.db2.gz ZPPSNXWBIXBHAK-UHFFFAOYSA-N -1 0 339.273 3.751 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000738946561 602656524 /nfs/dbraw/zinc/65/65/24/602656524.db2.gz XLGKPTFQKLFLQX-CQSZACIVSA-N -1 0 338.407 3.935 20 0 EHADRM O=C([O-])N(Cc1ccccn1)Cc1ccc(Br)cc1F ZINC000740488708 602668970 /nfs/dbraw/zinc/66/89/70/602668970.db2.gz PXBDSMZYORQKFS-UHFFFAOYSA-N -1 0 339.164 3.663 20 0 EHADRM CC(C)(C)c1ccc(COC(=O)c2csc(CNC(=O)[O-])n2)cc1 ZINC000738723608 602695374 /nfs/dbraw/zinc/69/53/74/602695374.db2.gz CPHRSFFEYURDPA-UHFFFAOYSA-N -1 0 348.424 3.565 20 0 EHADRM Cc1ccc(F)c2c1CCCN2C(=O)c1cccc(NC(=O)[O-])c1 ZINC000738606749 602713555 /nfs/dbraw/zinc/71/35/55/602713555.db2.gz MXZPKIREVYBXPJ-UHFFFAOYSA-N -1 0 328.343 3.817 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)NCC[C@H]1CCN(C(=O)[O-])C1 ZINC000740159842 602718138 /nfs/dbraw/zinc/71/81/38/602718138.db2.gz RSJJKMAPAGEWFD-AWEZNQCLSA-N -1 0 333.432 3.630 20 0 EHADRM COc1cccc([C@H]2C[C@H]2C(=O)Nc2cc(NC(=O)[O-])ccc2F)c1 ZINC000739951985 602726493 /nfs/dbraw/zinc/72/64/93/602726493.db2.gz XLQSGQRHESMUPH-ZIAGYGMSSA-N -1 0 344.342 3.666 20 0 EHADRM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(NC(=O)[O-])cc2)s1 ZINC000738350341 602731231 /nfs/dbraw/zinc/73/12/31/602731231.db2.gz UDEDZCDJKUOXCV-SNVBAGLBSA-N -1 0 333.413 3.683 20 0 EHADRM O=C([O-])NC1(c2nc(-c3ccc4c(c3)COC4)cs2)CCCC1 ZINC000740547639 602744408 /nfs/dbraw/zinc/74/44/08/602744408.db2.gz IWEMICRBRBFQHU-UHFFFAOYSA-N -1 0 330.409 3.877 20 0 EHADRM CCc1cccc(CC)c1NC(=S)N[C@@H]1CCCCN(C(=O)[O-])C1 ZINC000739542504 602749446 /nfs/dbraw/zinc/74/94/46/602749446.db2.gz SBWDJVWPEFCVJS-OAHLLOKOSA-N -1 0 349.500 3.630 20 0 EHADRM CCN(Cc1ccccc1NC(=O)CO[C@H]1CCCC[C@H]1C)C(=O)[O-] ZINC000739443938 602750024 /nfs/dbraw/zinc/75/00/24/602750024.db2.gz LHSBZSIKSZQHEL-PBHICJAKSA-N -1 0 348.443 3.720 20 0 EHADRM C[C@H]1CN(Cc2csc(C3CCCCC3)n2)CC[C@H]1NC(=O)[O-] ZINC000739193267 602760059 /nfs/dbraw/zinc/76/00/59/602760059.db2.gz SQRPKIXDXTVLGD-SWLSCSKDSA-N -1 0 337.489 3.669 20 0 EHADRM CCCCN(C(=O)c1ccc(CNC(=O)[O-])o1)[C@@H](C)c1ccc(C)o1 ZINC000826830134 602761791 /nfs/dbraw/zinc/76/17/91/602761791.db2.gz MGIXXIKCCPQCST-ZDUSSCGKSA-N -1 0 348.399 3.952 20 0 EHADRM C[C@@H](OC(=O)CCC(C)(C)NC(=O)[O-])c1nc2ccccc2s1 ZINC000739041465 602785307 /nfs/dbraw/zinc/78/53/07/602785307.db2.gz IVMYTVVVPRREFI-SNVBAGLBSA-N -1 0 336.413 3.727 20 0 EHADRM CC(C)(CCC(=O)NC1CCC(c2ccccc2)CC1)NC(=O)[O-] ZINC000738744676 602789102 /nfs/dbraw/zinc/78/91/02/602789102.db2.gz UYKLUNMKDZPIQY-UHFFFAOYSA-N -1 0 332.444 3.655 20 0 EHADRM CN(Cc1cccc2ccccc21)C(=O)CCC(C)(C)NC(=O)[O-] ZINC000739714444 602789850 /nfs/dbraw/zinc/78/98/50/602789850.db2.gz UYUJUWPEYAFNJV-UHFFFAOYSA-N -1 0 328.412 3.625 20 0 EHADRM COc1ccccc1[C@@H]1CCCCN1C(=O)CCC(C)(C)NC(=O)[O-] ZINC000739968488 602804594 /nfs/dbraw/zinc/80/45/94/602804594.db2.gz FCLSEDOWHUHMFY-HNNXBMFYSA-N -1 0 348.443 3.575 20 0 EHADRM Cc1ccc(C[C@@H](C)N(C)C(=O)c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000740123599 602816209 /nfs/dbraw/zinc/81/62/09/602816209.db2.gz NCDKVHFJOPFLRS-CYBMUJFWSA-N -1 0 344.386 3.927 20 0 EHADRM Cc1cc(C)cc(C[C@H](C)NC(=O)Cc2ccc(NC(=O)[O-])cc2)c1 ZINC000740066544 602817303 /nfs/dbraw/zinc/81/73/03/602817303.db2.gz LORLMCAMLMJOHZ-HNNXBMFYSA-N -1 0 340.423 3.683 20 0 EHADRM COc1ccc(NC(=O)[C@H](C)[C@@H](NC(=O)[O-])c2ccccc2)c(C)c1 ZINC000829441398 602823991 /nfs/dbraw/zinc/82/39/91/602823991.db2.gz HRKGDLJQAURBDN-CXAGYDPISA-N -1 0 342.395 3.587 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N2CCCN(C(=O)[O-])CC2)cc1 ZINC000737650758 602824443 /nfs/dbraw/zinc/82/44/43/602824443.db2.gz NATUIUBYLWPWSL-OAHLLOKOSA-N -1 0 332.444 3.516 20 0 EHADRM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)NCC[C@H](C)NC(=O)[O-] ZINC000738899258 602830121 /nfs/dbraw/zinc/83/01/21/602830121.db2.gz OMLGXEXTRXQOAD-LSDHHAIUSA-N -1 0 347.459 3.606 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)cc1 ZINC000738875417 602834763 /nfs/dbraw/zinc/83/47/63/602834763.db2.gz GNJKSNQYAJLJGU-HZPDHXFCSA-N -1 0 346.471 3.810 20 0 EHADRM CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000826594519 602837437 /nfs/dbraw/zinc/83/74/37/602837437.db2.gz WKBNTKZYWAWGOP-INIZCTEOSA-N -1 0 326.396 3.836 20 0 EHADRM CSCCc1ccc(NC(=O)c2ccc(NC(=O)[O-])cc2O)cc1 ZINC000740014757 602858613 /nfs/dbraw/zinc/85/86/13/602858613.db2.gz PEZQOSXGCYCLKQ-UHFFFAOYSA-N -1 0 346.408 3.640 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc(NC(=O)[O-])cc1O ZINC000739080914 602864303 /nfs/dbraw/zinc/86/43/03/602864303.db2.gz GJPOQDOBOHUGSV-JSGCOSHPSA-N -1 0 340.379 3.500 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc(NC(=O)[O-])cc1O ZINC000739080915 602864725 /nfs/dbraw/zinc/86/47/25/602864725.db2.gz GJPOQDOBOHUGSV-OCCSQVGLSA-N -1 0 340.379 3.500 20 0 EHADRM COc1ccc(C2(NC(=O)c3ccc(C)c(NC(=O)[O-])c3)CC2)cc1 ZINC000829331751 602902435 /nfs/dbraw/zinc/90/24/35/602902435.db2.gz MAABWPVQCCSQKB-UHFFFAOYSA-N -1 0 340.379 3.513 20 0 EHADRM Cc1ccc(C(=O)N2C[C@H](C)Oc3ccccc32)cc1NC(=O)[O-] ZINC000830186008 602915162 /nfs/dbraw/zinc/91/51/62/602915162.db2.gz DWXLNRGLJGKWHK-LBPRGKRZSA-N -1 0 326.352 3.513 20 0 EHADRM CC(C)[C@H](c1ccccc1)N(C)C(=O)c1ccc(CNC(=O)[O-])o1 ZINC000824151435 602921728 /nfs/dbraw/zinc/92/17/28/602921728.db2.gz YIWWYICREAMNGE-MRXNPFEDSA-N -1 0 330.384 3.517 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C(=O)CC(C)(C)NC(=O)[O-])C1CC1 ZINC000739056288 602949874 /nfs/dbraw/zinc/94/98/74/602949874.db2.gz DLFVJFRZYSYEPG-LLVKDONJSA-N -1 0 338.835 3.828 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)c2cnc(-c3ccncc3)s2)cc1 ZINC000738669040 602958239 /nfs/dbraw/zinc/95/82/39/602958239.db2.gz OZUWDNXGBKINKS-UHFFFAOYSA-N -1 0 341.348 3.514 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)c2cc(F)c(F)cc2Cl)cc1 ZINC000738669325 602965836 /nfs/dbraw/zinc/96/58/36/602965836.db2.gz KUPJKVXFKKHAFM-UHFFFAOYSA-N -1 0 327.670 3.927 20 0 EHADRM CC(C)(NC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])c1cccs1 ZINC000738754249 602970132 /nfs/dbraw/zinc/97/01/32/602970132.db2.gz NBEVGCIVJPZTKQ-UHFFFAOYSA-N -1 0 345.424 3.845 20 0 EHADRM COc1cc(NC(=O)NC(C)(C)c2cccs2)ccc1NC(=O)[O-] ZINC000739864719 602970799 /nfs/dbraw/zinc/97/07/99/602970799.db2.gz CQIJTYITCWVGDK-UHFFFAOYSA-N -1 0 349.412 3.903 20 0 EHADRM C[C@@H](NC(=O)[O-])C(=O)Oc1cccc(-c2nc(C(C)(C)C)cs2)c1 ZINC000738993824 602971591 /nfs/dbraw/zinc/97/15/91/602971591.db2.gz HGEYSRCYACPHGL-SNVBAGLBSA-N -1 0 348.424 3.669 20 0 EHADRM Cc1cccc([C@@H](C)CNC(=O)c2ccc(C)c(NC(=O)[O-])c2)c1 ZINC000830471080 602987904 /nfs/dbraw/zinc/98/79/04/602987904.db2.gz DWAKKKAELLEIQZ-AWEZNQCLSA-N -1 0 326.396 3.927 20 0 EHADRM CCCCSCCC(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739342648 602988528 /nfs/dbraw/zinc/98/85/28/602988528.db2.gz RUOXODFJJMOJCX-UHFFFAOYSA-N -1 0 336.457 3.979 20 0 EHADRM Cc1ccc2cccc(C(=O)Nc3cccc(CN(C)C(=O)[O-])c3)c2n1 ZINC000740153776 602991977 /nfs/dbraw/zinc/99/19/77/602991977.db2.gz MXOJIILHPZPUON-UHFFFAOYSA-N -1 0 349.390 3.905 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)CC(C)(C)NC(=O)[O-] ZINC000738862905 603004947 /nfs/dbraw/zinc/00/49/47/603004947.db2.gz FKENKGGXVFJFFP-UHFFFAOYSA-N -1 0 328.796 3.502 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000738752390 603012858 /nfs/dbraw/zinc/01/28/58/603012858.db2.gz JKVJKTORQQCGJK-UHFFFAOYSA-N -1 0 326.396 3.662 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)/C=C/c2ccnc3ccccc23)c1 ZINC000740674224 603014184 /nfs/dbraw/zinc/01/41/84/603014184.db2.gz NZXPPOCHMCSLGB-CMDGGOBGSA-N -1 0 347.374 3.654 20 0 EHADRM Cc1ccc(C)c(SCc2nc([C@@H](C)CN(C)C(=O)[O-])no2)c1 ZINC000740119815 603018051 /nfs/dbraw/zinc/01/80/51/603018051.db2.gz UBYVCJMHVMSKIS-LBPRGKRZSA-N -1 0 335.429 3.692 20 0 EHADRM CC(C)c1ccsc1C(=O)NC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000738878772 603019730 /nfs/dbraw/zinc/01/97/30/603019730.db2.gz YVNQKXPLZAQPSO-CQSZACIVSA-N -1 0 332.425 3.610 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N2CC[C@@H](c3ccco3)C2)c1 ZINC000740704275 603035269 /nfs/dbraw/zinc/03/52/69/603035269.db2.gz ARIDBABWDJZDAG-SNVBAGLBSA-N -1 0 333.319 3.530 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N2CCc3sccc3C2)c1 ZINC000740707748 603035565 /nfs/dbraw/zinc/03/55/65/603035565.db2.gz UOMGCKIQXLDQSH-UHFFFAOYSA-N -1 0 335.360 3.567 20 0 EHADRM C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739059379 603037174 /nfs/dbraw/zinc/03/71/74/603037174.db2.gz ONSLCJAJJWPUAX-JTQLQIEISA-N -1 0 347.346 3.846 20 0 EHADRM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)C1 ZINC000739080089 603038906 /nfs/dbraw/zinc/03/89/06/603038906.db2.gz BLTQWXDLURXDSE-QIJZBDPFSA-N -1 0 348.418 3.562 20 0 EHADRM CN(C(=O)Nc1cc(NC(=O)[O-])ccc1F)C1Cc2ccccc2C1 ZINC000739574323 603039579 /nfs/dbraw/zinc/03/95/79/603039579.db2.gz FROGMPCINHIXRX-UHFFFAOYSA-N -1 0 343.358 3.547 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000829592635 603047152 /nfs/dbraw/zinc/04/71/52/603047152.db2.gz SYCXSXNSEMMRFV-CYBMUJFWSA-N -1 0 343.379 3.909 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)Cc2c[nH]c3cc(F)ccc23)cc1 ZINC000827909339 603048533 /nfs/dbraw/zinc/04/85/33/603048533.db2.gz YAEPTASYUDNYBW-UHFFFAOYSA-N -1 0 342.326 3.569 20 0 EHADRM O=C([O-])Nc1cc(C(=O)NCCc2cc3ccccc3o2)ccc1F ZINC000740695400 603056901 /nfs/dbraw/zinc/05/69/01/603056901.db2.gz KAMAFEPBTJCZAY-UHFFFAOYSA-N -1 0 342.326 3.634 20 0 EHADRM CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000736250946 603067335 /nfs/dbraw/zinc/06/73/35/603067335.db2.gz NGJJWNGOSKOXPN-IUODEOHRSA-N -1 0 349.431 3.739 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2)c2cc(Cl)ccc2O1 ZINC000826035254 603098211 /nfs/dbraw/zinc/09/82/11/603098211.db2.gz RVFXORCLSJUDTC-JTQLQIEISA-N -1 0 346.770 3.858 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)c3cc4ccccn4c3)ccc21 ZINC000740464327 603100362 /nfs/dbraw/zinc/10/03/62/603100362.db2.gz HVHPTRDXSRAJRB-UHFFFAOYSA-N -1 0 335.363 3.622 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NCc2nc(-c3ccccc3)no2)cc1 ZINC000739016740 603102405 /nfs/dbraw/zinc/10/24/05/603102405.db2.gz KJGSDSBXUMKOPP-LBPRGKRZSA-N -1 0 338.367 3.677 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000739258949 603111971 /nfs/dbraw/zinc/11/19/71/603111971.db2.gz YISJAROGWLPMTE-GOEBONIOSA-N -1 0 338.492 3.878 20 0 EHADRM CC[C@H]1CCCCCN1C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000739266774 603142197 /nfs/dbraw/zinc/14/21/97/603142197.db2.gz HOWCFGLTTCZKMA-HNNXBMFYSA-N -1 0 333.432 3.983 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000740563258 603150435 /nfs/dbraw/zinc/15/04/35/603150435.db2.gz JMJPIZXGTAJYQF-RKDXNWHRSA-N -1 0 331.199 3.758 20 0 EHADRM Cc1ccc(-c2noc(COc3ccc(NC(=O)[O-])cc3)n2)cc1 ZINC000738250336 603156350 /nfs/dbraw/zinc/15/63/50/603156350.db2.gz LSLAJICQQGVLGM-UHFFFAOYSA-N -1 0 325.324 3.714 20 0 EHADRM Cc1ccccc1-c1noc(COc2ccc(NC(=O)[O-])cc2)n1 ZINC000738320468 603156619 /nfs/dbraw/zinc/15/66/19/603156619.db2.gz MYWOPJXKBUYKJL-UHFFFAOYSA-N -1 0 325.324 3.714 20 0 EHADRM CCc1ccc([C@@H](C)NC(=O)COc2ccc(NC(=O)[O-])cc2)cc1 ZINC000737901199 603156633 /nfs/dbraw/zinc/15/66/33/603156633.db2.gz CRHUUDKQLPLRDM-CYBMUJFWSA-N -1 0 342.395 3.595 20 0 EHADRM Cc1ccccc1-c1noc(COc2ccc(N(C)C(=O)[O-])cc2)n1 ZINC000830548120 603159162 /nfs/dbraw/zinc/15/91/62/603159162.db2.gz ARGLSNSUNWQWBE-UHFFFAOYSA-N -1 0 339.351 3.738 20 0 EHADRM C[C@H](c1cc2ccccc2o1)N(C)C(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739053209 603163352 /nfs/dbraw/zinc/16/33/52/603163352.db2.gz KYRQLCWKTCGFNN-VHDGCEQUSA-N -1 0 344.411 3.779 20 0 EHADRM CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739440547 603166024 /nfs/dbraw/zinc/16/60/24/603166024.db2.gz CLQVPKUZUTYQLL-HIFRSBDPSA-N -1 0 338.835 3.515 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)c2c(F)cc(F)cc2F)c1 ZINC000740703578 603169082 /nfs/dbraw/zinc/16/90/82/603169082.db2.gz BDIACEYCPXXYHZ-UHFFFAOYSA-N -1 0 328.221 3.585 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2ccnc3ccccc32)cc1 ZINC000825449686 603175098 /nfs/dbraw/zinc/17/50/98/603175098.db2.gz WSHVYVMNASFADM-LBPRGKRZSA-N -1 0 335.363 3.816 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)C(F)(F)c2ccccc2)cc1 ZINC000825417147 603176470 /nfs/dbraw/zinc/17/64/70/603176470.db2.gz OPNWVHNJXQLXEL-LLVKDONJSA-N -1 0 334.322 3.746 20 0 EHADRM CCc1nc(C)c(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)s1 ZINC000827627789 603177811 /nfs/dbraw/zinc/17/78/11/603177811.db2.gz WSVLLYGZZUVDSC-VIFPVBQESA-N -1 0 333.413 3.595 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2nccc3ccccc32)cc1 ZINC000825449346 603183416 /nfs/dbraw/zinc/18/34/16/603183416.db2.gz OSENEGMJTUKAEI-LBPRGKRZSA-N -1 0 335.363 3.816 20 0 EHADRM CC(C)(C(=O)Nc1cccc(CNC(=O)[O-])c1)c1cccc(F)c1 ZINC000738662461 603198307 /nfs/dbraw/zinc/19/83/07/603198307.db2.gz UJZNEICVJQAYCC-UHFFFAOYSA-N -1 0 330.359 3.510 20 0 EHADRM CO[C@H]1CCC[C@@H](OC(=O)c2ccc(NC(=O)[O-])cc2Cl)C1 ZINC000739802421 603199472 /nfs/dbraw/zinc/19/94/72/603199472.db2.gz LYGZUOFBSJNLKH-WDEREUQCSA-N -1 0 327.764 3.544 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(F)c(NC(=O)[O-])c2)[C@H]1c1ccccc1 ZINC000826034589 603202139 /nfs/dbraw/zinc/20/21/39/603202139.db2.gz KWLAZBLPYLLFOZ-MEDUHNTESA-N -1 0 328.343 3.749 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)C1 ZINC000740180330 603210907 /nfs/dbraw/zinc/21/09/07/603210907.db2.gz FLAGQRTYIQNRIX-HZMVEIRTSA-N -1 0 344.455 3.526 20 0 EHADRM CCO[C@H]1C[C@H](NC(=O)c2ccc(C)c(NC(=O)[O-])c2)C12CCCC2 ZINC000827381256 603211722 /nfs/dbraw/zinc/21/17/22/603211722.db2.gz QWCSPMVURYSITD-HOTGVXAUSA-N -1 0 346.427 3.553 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)Nc1ccccc1F ZINC000829187083 603213639 /nfs/dbraw/zinc/21/36/39/603213639.db2.gz CCHYGVXOPAGVLG-UHFFFAOYSA-N -1 0 338.722 3.830 20 0 EHADRM C[C@@H](C(=O)NCc1ccccc1Cl)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823703509 603216080 /nfs/dbraw/zinc/21/60/80/603216080.db2.gz OUYBJJXMRYJSRE-WBMJQRKESA-N -1 0 346.814 3.601 20 0 EHADRM Cc1ccc(Oc2ccccc2NC(=O)C[C@H](C)NC(=O)[O-])cc1 ZINC000830411480 603226135 /nfs/dbraw/zinc/22/61/35/603226135.db2.gz WTHUGHOCGBIZDD-ZDUSSCGKSA-N -1 0 328.368 3.772 20 0 EHADRM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CC2CCN(C(=O)[O-])CC2)o1 ZINC000830280856 603229728 /nfs/dbraw/zinc/22/97/28/603229728.db2.gz AWRCANLPMPCDIQ-XJKSGUPXSA-N -1 0 348.443 3.668 20 0 EHADRM CC(C)c1nc2cc(NC(=O)[C@@H]3CCC[C@@H](NC(=O)[O-])C3)ccc2o1 ZINC000738879618 603238344 /nfs/dbraw/zinc/23/83/44/603238344.db2.gz HSOQUAQMBUHVNQ-VXGBXAGGSA-N -1 0 345.399 3.716 20 0 EHADRM COc1ccc(C)cc1NC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000829320723 603251030 /nfs/dbraw/zinc/25/10/30/603251030.db2.gz BQQVYWCKQKYDGD-LBPRGKRZSA-N -1 0 343.383 3.976 20 0 EHADRM Cc1cc2sc(NC(=O)c3ccc(CNC(=O)[O-])o3)nc2c(C)c1 ZINC000829996439 603253636 /nfs/dbraw/zinc/25/36/36/603253636.db2.gz ACNRWYDPNXTLTA-UHFFFAOYSA-N -1 0 345.380 3.526 20 0 EHADRM Cc1cc(C)c(NC(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])c(Cl)c1 ZINC000829991549 603256097 /nfs/dbraw/zinc/25/60/97/603256097.db2.gz UVPQMYYLCBFXPZ-WCQYABFASA-N -1 0 339.823 3.515 20 0 EHADRM Cc1cc(C)c(NC(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])c(Cl)c1 ZINC000829991551 603256384 /nfs/dbraw/zinc/25/63/84/603256384.db2.gz UVPQMYYLCBFXPZ-YPMHNXCESA-N -1 0 339.823 3.515 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N(Cc2ccncc2)C2CC2)c(Cl)c1 ZINC000740699946 603287520 /nfs/dbraw/zinc/28/75/20/603287520.db2.gz NLRYISLHHOECOF-UHFFFAOYSA-N -1 0 345.786 3.630 20 0 EHADRM C[C@H](NC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])C1CCCCC1 ZINC000825171162 603302791 /nfs/dbraw/zinc/30/27/91/603302791.db2.gz IHBNVJZBLFGPBR-LBPRGKRZSA-N -1 0 331.416 3.817 20 0 EHADRM CCN(C(=O)[C@H](C)[C@@H](NC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000826969638 603309399 /nfs/dbraw/zinc/30/93/99/603309399.db2.gz HKAVUNXWTDSNCK-RHSMWYFYSA-N -1 0 326.396 3.685 20 0 EHADRM CCN(C(=O)[C@H](C)[C@H](NC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000826969637 603309480 /nfs/dbraw/zinc/30/94/80/603309480.db2.gz HKAVUNXWTDSNCK-PBHICJAKSA-N -1 0 326.396 3.685 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(NC(=O)[O-])cc1)Cc1cccs1 ZINC000824939507 603310209 /nfs/dbraw/zinc/31/02/09/603310209.db2.gz MBQUFKDAAKYUFP-LLVKDONJSA-N -1 0 333.413 3.838 20 0 EHADRM CS[C@@H]1CC[C@H](NC(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])C1 ZINC000829711756 603313746 /nfs/dbraw/zinc/31/37/46/603313746.db2.gz WQTGRIBMXLPJPN-UONOGXRCSA-N -1 0 349.456 3.523 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC000832724726 603321243 /nfs/dbraw/zinc/32/12/43/603321243.db2.gz LWSRWVITXUFZAC-SQWLQELKSA-N -1 0 331.416 3.545 20 0 EHADRM CCN(Cc1ccccc1C)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739441878 603328097 /nfs/dbraw/zinc/32/80/97/603328097.db2.gz CQZGELBMTDBMBZ-UHFFFAOYSA-N -1 0 341.411 3.817 20 0 EHADRM CCN(Cc1cccc(NC(=O)NCCCC(F)(F)F)c1)C(=O)[O-] ZINC000827172262 603329863 /nfs/dbraw/zinc/32/98/63/603329863.db2.gz VVEOYCQMZDFBLJ-UHFFFAOYSA-N -1 0 347.337 3.651 20 0 EHADRM C[C@H](c1cccs1)N(C)C(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823654561 603351727 /nfs/dbraw/zinc/35/17/27/603351727.db2.gz KQEHHGHLXUQEAC-WOSRLPQWSA-N -1 0 346.452 3.913 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N[C@@H]1CCCC[C@H]1C)C(=O)[O-] ZINC000739449522 603354012 /nfs/dbraw/zinc/35/40/12/603354012.db2.gz XGOUBXWFQCZYHY-UKRRQHHQSA-N -1 0 333.432 3.887 20 0 EHADRM Cc1ccc(CNC(=O)Nc2cccc(CN(C)C(=O)[O-])c2)cc1F ZINC000740129896 603359507 /nfs/dbraw/zinc/35/95/07/603359507.db2.gz NYTSNFNTXTVZQV-UHFFFAOYSA-N -1 0 345.374 3.566 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000825426648 603377918 /nfs/dbraw/zinc/37/79/18/603377918.db2.gz HVLUKGJNBNSBHX-CHWSQXEVSA-N -1 0 327.384 3.898 20 0 EHADRM CC[C@@H](NC(=S)Nc1ccc(NC(=O)[O-])nc1)c1cccs1 ZINC000739275605 603396670 /nfs/dbraw/zinc/39/66/70/603396670.db2.gz ZXRCGVPSJMFOCG-SNVBAGLBSA-N -1 0 336.442 3.671 20 0 EHADRM CC[C@H](NC(=S)Nc1ccc(NC(=O)[O-])nc1)c1cccs1 ZINC000739275600 603396683 /nfs/dbraw/zinc/39/66/83/603396683.db2.gz ZXRCGVPSJMFOCG-JTQLQIEISA-N -1 0 336.442 3.671 20 0 EHADRM Cc1cc(C)c(NC(=S)NC[C@@H](NC(=O)[O-])C(C)C)c(Cl)c1 ZINC000740064791 603397748 /nfs/dbraw/zinc/39/77/48/603397748.db2.gz AHSQWSLPDLVWNG-GFCCVEGCSA-N -1 0 343.880 3.535 20 0 EHADRM C[C@H](c1nc(-c2ccsc2)no1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000825645392 603409059 /nfs/dbraw/zinc/40/90/59/603409059.db2.gz OASJGHCTOCBHQL-GWCFXTLKSA-N -1 0 329.381 3.911 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H](c2nc(Cc3ccccc3Cl)no2)C1 ZINC000832337777 603414254 /nfs/dbraw/zinc/41/42/54/603414254.db2.gz DHMCKBLNEAITSB-VXGBXAGGSA-N -1 0 335.791 3.608 20 0 EHADRM Cc1ccc(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)cc1NC(=O)[O-] ZINC000830204118 603421379 /nfs/dbraw/zinc/42/13/79/603421379.db2.gz CUQZDONLEPHQEW-HOCLYGCPSA-N -1 0 328.343 3.510 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@@H](c2nc(-c3nccc4ccccc43)no2)C1 ZINC000832331721 603424320 /nfs/dbraw/zinc/42/43/20/603424320.db2.gz IRWYVHWDNUOXDH-OLZOCXBDSA-N -1 0 338.367 3.579 20 0 EHADRM CN(CCCNC(=O)[O-])C(=O)c1ccccc1Sc1ccccc1 ZINC000739676524 603424677 /nfs/dbraw/zinc/42/46/77/603424677.db2.gz MRXOMABUHSCDFT-UHFFFAOYSA-N -1 0 344.436 3.568 20 0 EHADRM CCN(Cc1ccccc1NC(=O)C[C@H](C)c1cccnc1)C(=O)[O-] ZINC000739445677 603424803 /nfs/dbraw/zinc/42/48/03/603424803.db2.gz VGNRUBLGFSVRSP-AWEZNQCLSA-N -1 0 341.411 3.714 20 0 EHADRM C[C@@H](CC(=O)Nc1cccc(CO[C@H]2CCC[C@@H](C)C2)c1)NC(=O)[O-] ZINC000825889018 603427888 /nfs/dbraw/zinc/42/78/88/603427888.db2.gz SJYBENUGWPTMBF-KEYYUXOJSA-N -1 0 348.443 3.767 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC000825081225 603430402 /nfs/dbraw/zinc/43/04/02/603430402.db2.gz AUMQEXCIPQJYDG-NGZCFLSTSA-N -1 0 345.226 3.607 20 0 EHADRM CC(C)[C@@H](C)C(=O)N(c1ccccc1F)C1CCN(C(=O)[O-])CC1 ZINC000738772430 603433157 /nfs/dbraw/zinc/43/31/57/603433157.db2.gz POSMAVAGJXHXDG-CYBMUJFWSA-N -1 0 336.407 3.593 20 0 EHADRM C[C@H](NC(=S)NCCc1ccc(NC(=O)[O-])cc1)c1cccs1 ZINC000736660460 603461324 /nfs/dbraw/zinc/46/13/24/603461324.db2.gz KPEKOSCFWNLLGZ-NSHDSACASA-N -1 0 349.481 3.606 20 0 EHADRM CN(C(=O)c1cc2ccccc2s1)C1CCC(NC(=O)[O-])CC1 ZINC000827932736 603473296 /nfs/dbraw/zinc/47/32/96/603473296.db2.gz SBTRJYTVQWWRRC-UHFFFAOYSA-N -1 0 332.425 3.552 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Oc2cccc(NC(=O)[O-])c2)cc1 ZINC000830176138 603483024 /nfs/dbraw/zinc/48/30/24/603483024.db2.gz MEMVKSRBZHFVSB-UHFFFAOYSA-N -1 0 327.336 3.653 20 0 EHADRM Cc1csc(N(C(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)c2ccccc2)n1 ZINC000830666227 603527322 /nfs/dbraw/zinc/52/73/22/603527322.db2.gz CVPLSTGHSZGPOC-CHWSQXEVSA-N -1 0 345.424 3.553 20 0 EHADRM C[C@H](c1ncc(C(C)(C)C)o1)N1CCC([C@H]2CCCN2C(=O)[O-])CC1 ZINC000825646094 603538292 /nfs/dbraw/zinc/53/82/92/603538292.db2.gz YMLRNBOBIKRESP-UKRRQHHQSA-N -1 0 349.475 3.888 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3ccccc3)ns2)C1 ZINC000832323484 603539703 /nfs/dbraw/zinc/53/97/03/603539703.db2.gz DLDXGSVIIBCOQQ-QWHCGFSZSA-N -1 0 345.424 3.575 20 0 EHADRM CN(C(=O)Nc1ccc(-c2ccccc2)cc1)[C@H]1CCN(C(=O)[O-])C1 ZINC000827805997 603579205 /nfs/dbraw/zinc/57/92/05/603579205.db2.gz FSBBEZPVFFWKAJ-KRWDZBQOSA-N -1 0 339.395 3.570 20 0 EHADRM CN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827816404 603580018 /nfs/dbraw/zinc/58/00/18/603580018.db2.gz UCBGASOMYZORGK-OAHLLOKOSA-N -1 0 339.395 3.570 20 0 EHADRM CC[C@@H]1C[C@H](C)CN1C(=O)Nc1cccc(CN(CC)C(=O)[O-])c1 ZINC000826661798 603598684 /nfs/dbraw/zinc/59/86/84/603598684.db2.gz SYNZAKBRISSIPD-XJKSGUPXSA-N -1 0 333.432 3.839 20 0 EHADRM Cc1cccc(NC(=O)N2CCC[C@@H](CN(C)C(=O)[O-])C2)c1Cl ZINC000830516988 603606514 /nfs/dbraw/zinc/60/65/14/603606514.db2.gz PZIXNIZBIYFXHX-LBPRGKRZSA-N -1 0 339.823 3.502 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1nc(-c2c(Cl)cccc2Cl)no1 ZINC000824896560 603633130 /nfs/dbraw/zinc/63/31/30/603633130.db2.gz WBAXPKLZRXIINZ-SSDOTTSWSA-N -1 0 330.171 3.757 20 0 EHADRM Cc1ccc(C(=O)N[C@H](C2CCCC2)C(F)(F)F)cc1NC(=O)[O-] ZINC000830205827 603771575 /nfs/dbraw/zinc/77/15/75/603771575.db2.gz UEBUIXFYWZDVDW-CYBMUJFWSA-N -1 0 344.333 3.936 20 0 EHADRM Cc1ccc(C(=O)N(CCC(F)(F)F)CC2CC2)cc1NC(=O)[O-] ZINC000830188767 603776154 /nfs/dbraw/zinc/77/61/54/603776154.db2.gz ZUHIVSQQWIUHFZ-UHFFFAOYSA-N -1 0 344.333 3.890 20 0 EHADRM Cc1ccc(N(Cc2cccs2)C(=O)CC2CN(C(=O)[O-])C2)cc1 ZINC000830341696 603777512 /nfs/dbraw/zinc/77/75/12/603777512.db2.gz SKYMALANWGQSNW-UHFFFAOYSA-N -1 0 344.436 3.590 20 0 EHADRM C[C@H](N(C)C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-])C1(C)CC1 ZINC000825055768 603805569 /nfs/dbraw/zinc/80/55/69/603805569.db2.gz NJYKEMLSOWKOEG-LBPRGKRZSA-N -1 0 331.416 3.770 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)Nc1ccccc1CCC(F)(F)F ZINC000832338310 603805938 /nfs/dbraw/zinc/80/59/38/603805938.db2.gz GVKUCKQQACUWAR-WCQYABFASA-N -1 0 344.333 3.556 20 0 EHADRM CCC[C@H](C)c1cc(NC(=O)c2ccc(C)c(NC(=O)[O-])c2)n[nH]1 ZINC000826734443 603819971 /nfs/dbraw/zinc/81/99/71/603819971.db2.gz IKZYLTRHZGTKDC-JTQLQIEISA-N -1 0 330.388 3.964 20 0 EHADRM C[C@@H](c1ccccc1F)N(C)C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000825638210 603832578 /nfs/dbraw/zinc/83/25/78/603832578.db2.gz KVWCXIJLIGUHMT-AVOUXACISA-N -1 0 348.418 3.656 20 0 EHADRM C[C@@H](OC(=O)[C@@H](NC(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000825598307 603833525 /nfs/dbraw/zinc/83/35/25/603833525.db2.gz IWCFIBKKUHTIJP-BMIGLBTASA-N -1 0 335.306 3.578 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CNCc2cccc3c2N(C(=O)[O-])CC3)o1 ZINC000825858954 603851641 /nfs/dbraw/zinc/85/16/41/603851641.db2.gz DGZNOGZLXNJPHI-WBMJQRKESA-N -1 0 326.396 3.733 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)nn2)cc1NC(=O)[O-] ZINC000830230356 603865201 /nfs/dbraw/zinc/86/52/01/603865201.db2.gz GEYMPFAXZHYLBC-UHFFFAOYSA-N -1 0 348.362 3.794 20 0 EHADRM C[C@@H](C(=O)N(C)C1CCN(C(=O)[O-])CC1)c1ccc2ccccc2c1 ZINC000823654619 603885425 /nfs/dbraw/zinc/88/54/25/603885425.db2.gz LCUJJMCDYYHXQD-CQSZACIVSA-N -1 0 340.423 3.544 20 0 EHADRM C[C@@]1(C(=O)Nc2ccc(CCC(F)(F)F)cc2)CCN(C(=O)[O-])C1 ZINC000825678177 603886467 /nfs/dbraw/zinc/88/64/67/603886467.db2.gz ORSXHUIHOKLIRG-OAHLLOKOSA-N -1 0 344.333 3.510 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000829292974 603928780 /nfs/dbraw/zinc/92/87/80/603928780.db2.gz IGMHCMDJTMIBNY-GFCCVEGCSA-N -1 0 328.368 3.917 20 0 EHADRM C[C@@H]1CN(C(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])[C@H]1c1ccccc1 ZINC000825976685 603934577 /nfs/dbraw/zinc/93/45/77/603934577.db2.gz XHPFHIZLKFICII-TYROFSIVSA-N -1 0 342.439 3.517 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)c1cccc2ncccc21 ZINC000831797564 603942796 /nfs/dbraw/zinc/94/27/96/603942796.db2.gz LFXGPKNISDGCFL-UHFFFAOYSA-N -1 0 333.347 3.528 20 0 EHADRM C[C@H](C(=O)N1Cc2ccccc2[C@H]1C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823677951 603951745 /nfs/dbraw/zinc/95/17/45/603951745.db2.gz PQDQUCSUJMWLPX-PMUMKWKESA-N -1 0 338.407 3.735 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)c1cccc(OC(F)F)c1 ZINC000831797585 603960451 /nfs/dbraw/zinc/96/04/51/603960451.db2.gz MEISLTMZRCKSLY-UHFFFAOYSA-N -1 0 348.305 3.581 20 0 EHADRM C[C@@H](c1ncc(-c2ccccc2)o1)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000825645321 603983253 /nfs/dbraw/zinc/98/32/53/603983253.db2.gz NVYVCNNZFPDNEG-IMJJTQAJSA-N -1 0 341.411 3.619 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)N[C@H]1CCCc2occc21 ZINC000831793319 603985216 /nfs/dbraw/zinc/98/52/16/603985216.db2.gz JCKCCLSVIQJZNN-AWEZNQCLSA-N -1 0 341.367 3.519 20 0 EHADRM C[C@@H](C1CC1)N(C(=O)Nc1cccc2c1CCN2C(=O)[O-])C1CC1 ZINC000824545788 603988938 /nfs/dbraw/zinc/98/89/38/603988938.db2.gz ZWNGLLCWYJSWID-NSHDSACASA-N -1 0 329.400 3.522 20 0 EHADRM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)o1 ZINC000827584917 603995216 /nfs/dbraw/zinc/99/52/16/603995216.db2.gz WESTVDWGQRINTC-CTASWTNQSA-N -1 0 348.443 3.578 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)CC3(NC(=O)[O-])CCC3)c2)cs1 ZINC000830690628 604065701 /nfs/dbraw/zinc/06/57/01/604065701.db2.gz GUAODRQXZOLGCE-UHFFFAOYSA-N -1 0 345.424 3.637 20 0 EHADRM O=C([O-])NC1(CC(=O)Nc2ccccc2-c2cccs2)CCC1 ZINC000832215310 604080298 /nfs/dbraw/zinc/08/02/98/604080298.db2.gz ACSYIMGTVDQTAQ-UHFFFAOYSA-N -1 0 330.409 3.934 20 0 EHADRM Cc1ccc(NC(=O)N(C)C2CCC(NC(=O)[O-])CC2)c(Cl)c1 ZINC000830377280 604119949 /nfs/dbraw/zinc/11/99/49/604119949.db2.gz PILLQSOCEJYOAX-UHFFFAOYSA-N -1 0 339.823 3.691 20 0 EHADRM CSc1ccc(NC(=O)N(C)CC[C@H](NC(=O)[O-])C(C)C)cc1 ZINC000829766275 604124358 /nfs/dbraw/zinc/12/43/58/604124358.db2.gz GKSLPDWFFOEHSW-AWEZNQCLSA-N -1 0 339.461 3.555 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)N3CCC[C@H]4CCC[C@H]43)ccc21 ZINC000832080065 604136204 /nfs/dbraw/zinc/13/62/04/604136204.db2.gz QMFCDTPVHYRADM-IUODEOHRSA-N -1 0 329.400 3.524 20 0 EHADRM Cc1ccc(CCCCC(=O)N2CCC[C@H]([C@H](C)NC(=O)[O-])C2)cc1 ZINC000830296070 604202525 /nfs/dbraw/zinc/20/25/25/604202525.db2.gz FXLUYAFHTRITAN-WMZOPIPTSA-N -1 0 346.471 3.603 20 0 EHADRM C[C@H](NC(=O)Cc1ccc(NC(=O)[O-])cc1)[C@@H](C)c1ccccc1 ZINC000825125694 604210959 /nfs/dbraw/zinc/21/09/59/604210959.db2.gz BFYLQADMMALIPK-KGLIPLIRSA-N -1 0 326.396 3.627 20 0 EHADRM C[C@H](CC(=O)NCCc1ccc(NC(=O)[O-])cc1)c1cccc(F)c1 ZINC000736540949 604252736 /nfs/dbraw/zinc/25/27/36/604252736.db2.gz FCLBJDCRDSAGRB-CYBMUJFWSA-N -1 0 344.386 3.768 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000832844652 604267101 /nfs/dbraw/zinc/26/71/01/604267101.db2.gz JDVCPWWURQOLMS-GFCCVEGCSA-N -1 0 328.412 3.944 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2ccc(F)cc2)CC2CC2)cc1F ZINC000833309609 604277929 /nfs/dbraw/zinc/27/79/29/604277929.db2.gz CXSHQYULKOLALA-UHFFFAOYSA-N -1 0 345.345 3.715 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1cccc(COC(C)C)c1 ZINC000832847290 604293363 /nfs/dbraw/zinc/29/33/63/604293363.db2.gz MZAKDJZSYMFZIQ-UHFFFAOYSA-N -1 0 330.384 3.507 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000832844972 604293562 /nfs/dbraw/zinc/29/35/62/604293562.db2.gz PFTWXWKILHFGGW-QMMMGPOBSA-N -1 0 338.766 3.613 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC000828193097 604294615 /nfs/dbraw/zinc/29/46/15/604294615.db2.gz SPZAHTFAYILKKD-DIFFPNOSSA-N -1 0 345.345 3.886 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 ZINC000832844782 604298619 /nfs/dbraw/zinc/29/86/19/604298619.db2.gz KNUGOVDJJAMPIX-OAHLLOKOSA-N -1 0 340.423 3.872 20 0 EHADRM Cc1cc(OCC(=O)Nc2ccccc2CC(=O)[O-])cc(C)c1Cl ZINC000561733827 604300444 /nfs/dbraw/zinc/30/04/44/604300444.db2.gz HKBCTAUDTBWYHE-UHFFFAOYSA-N -1 0 347.798 3.601 20 0 EHADRM CCSc1ccc([C@@H](C)NC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)cc1 ZINC000737893879 604307444 /nfs/dbraw/zinc/30/74/44/604307444.db2.gz OVCKXWOPPYKREM-LLVKDONJSA-N -1 0 346.452 3.933 20 0 EHADRM COc1ccc(OC(C)C)c(NC(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000832425482 604309751 /nfs/dbraw/zinc/30/97/51/604309751.db2.gz YBCSKNIOBMSORD-UHFFFAOYSA-N -1 0 347.342 3.572 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc(-c2ccco2)s1)c1ccccc1F ZINC000833124576 604310594 /nfs/dbraw/zinc/31/05/94/604310594.db2.gz KUGKEMXNKPNJNT-OAHLLOKOSA-N -1 0 345.351 3.703 20 0 EHADRM O=C([O-])c1csc(NC(=O)CCCCC(=O)c2ccccc2)c1 ZINC000833097281 604315223 /nfs/dbraw/zinc/31/52/23/604315223.db2.gz IVZVHOOFFZWUGE-UHFFFAOYSA-N -1 0 331.393 3.828 20 0 EHADRM CN(CC1CCN(C(=O)c2ccc(C(C)(C)C)s2)CC1)C(=O)[O-] ZINC000828253995 604338736 /nfs/dbraw/zinc/33/87/36/604338736.db2.gz UJXINAVBHBEUFX-UHFFFAOYSA-N -1 0 338.473 3.508 20 0 EHADRM CC/C(=C/C(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccc(C)cc1 ZINC000828549798 604344255 /nfs/dbraw/zinc/34/42/55/604344255.db2.gz QSLOZLZRUPBFMP-RAXLEYEMSA-N -1 0 344.436 3.901 20 0 EHADRM CCc1cnc(NC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])s1 ZINC000830299417 604348357 /nfs/dbraw/zinc/34/83/57/604348357.db2.gz PAXOPCCNEZXSNG-CYBMUJFWSA-N -1 0 347.440 3.679 20 0 EHADRM CCN(C(=O)c1ccc(C(=O)[O-])c(F)c1)c1nc2ccccc2s1 ZINC000829602265 604376586 /nfs/dbraw/zinc/37/65/86/604376586.db2.gz JISKBWNWEMJHOV-UHFFFAOYSA-N -1 0 344.367 3.800 20 0 EHADRM CC(C)c1nc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])cs1 ZINC000827144777 604380114 /nfs/dbraw/zinc/38/01/14/604380114.db2.gz VMTWRRMSYWTGOZ-AWEZNQCLSA-N -1 0 346.452 3.848 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2cccc(OCCF)c2)ccc1F ZINC000832820961 604380761 /nfs/dbraw/zinc/38/07/61/604380761.db2.gz QBSGIZMZRZWESG-UHFFFAOYSA-N -1 0 336.294 3.516 20 0 EHADRM COc1cc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])ccc1C ZINC000831871342 604381990 /nfs/dbraw/zinc/38/19/90/604381990.db2.gz OUJOTPDRYSUWBE-KRWDZBQOSA-N -1 0 341.407 3.586 20 0 EHADRM Cc1ccc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])c(Cl)n1 ZINC000832911552 604387658 /nfs/dbraw/zinc/38/76/58/604387658.db2.gz PCKAUEMGODEWNL-CQSZACIVSA-N -1 0 346.814 3.625 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1ccc(F)cc1C(F)(F)F ZINC000833161379 604388367 /nfs/dbraw/zinc/38/83/67/604388367.db2.gz AHYGFOQDVLLNOE-UHFFFAOYSA-N -1 0 333.262 3.857 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(c2ccccn2)C2CCCC2)cc1F ZINC000833310001 604393465 /nfs/dbraw/zinc/39/34/65/604393465.db2.gz KYJPDALTDHZRMV-UHFFFAOYSA-N -1 0 328.343 3.508 20 0 EHADRM C[C@@H](CCSc1ccccc1)OC(=O)c1cccc(C(=O)[O-])n1 ZINC000827422361 604425516 /nfs/dbraw/zinc/42/55/16/604425516.db2.gz QRXPSCQZHXABQE-LBPRGKRZSA-N -1 0 331.393 3.508 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cc(F)ccc1OC ZINC000829026172 604428933 /nfs/dbraw/zinc/42/89/33/604428933.db2.gz HIAAUSMLLQROFP-MRXNPFEDSA-N -1 0 345.370 3.512 20 0 EHADRM Cc1ccccc1-c1nc(COc2cccc(NC(=O)[O-])c2)no1 ZINC000830550066 604440712 /nfs/dbraw/zinc/44/07/12/604440712.db2.gz OOPBQYBOYQXLDI-UHFFFAOYSA-N -1 0 325.324 3.714 20 0 EHADRM Cc1cc(C(=O)NCc2ccc([C@H](C)NC(=O)[O-])cc2)c(C)s1 ZINC000829956396 604443540 /nfs/dbraw/zinc/44/35/40/604443540.db2.gz FSFHAPBYMPRJDS-NSHDSACASA-N -1 0 332.425 3.624 20 0 EHADRM CCCOc1cccc(CC(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC000829541641 604445564 /nfs/dbraw/zinc/44/55/64/604445564.db2.gz ROUVCXVPLYNUQP-LBPRGKRZSA-N -1 0 332.352 3.614 20 0 EHADRM CC(C)C(NC(=O)Nc1cccc(CSCC(=O)[O-])c1)C(C)C ZINC000826699263 604454264 /nfs/dbraw/zinc/45/42/64/604454264.db2.gz GUTKROISBHZSEG-UHFFFAOYSA-N -1 0 338.473 3.807 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)c2coc3ccccc23)cc1 ZINC000825397280 604455285 /nfs/dbraw/zinc/45/52/85/604455285.db2.gz JDAISUZMPJYAIR-GFCCVEGCSA-N -1 0 338.363 3.691 20 0 EHADRM CSc1ccc(C(=O)NCc2ccc([C@H](C)NC(=O)[O-])cc2)cc1 ZINC000829760839 604457230 /nfs/dbraw/zinc/45/72/30/604457230.db2.gz RKJXEOXYIIVSOQ-LBPRGKRZSA-N -1 0 344.436 3.667 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)CCCSC(C)(C)C)c1ccccc1 ZINC000833410993 604463352 /nfs/dbraw/zinc/46/33/52/604463352.db2.gz KGBOZOLTZFVYLY-BBRMVZONSA-N -1 0 337.485 3.877 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1c1nc(-c2cccs2)nc2ccccc21 ZINC000567985470 604471480 /nfs/dbraw/zinc/47/14/80/604471480.db2.gz YXLFOCMVKLJINM-LBPRGKRZSA-N -1 0 339.420 3.802 20 0 EHADRM O=C([O-])c1csc(NC(=O)Nc2ccc(OCC(F)F)cc2)c1 ZINC000833156159 604491697 /nfs/dbraw/zinc/49/16/97/604491697.db2.gz BOOAEORWTVZLMQ-UHFFFAOYSA-N -1 0 342.323 3.734 20 0 EHADRM COc1ccc(C2(C(=O)OC3CCC(CC(=O)[O-])CC3)CCC2)cc1 ZINC000833730944 604496006 /nfs/dbraw/zinc/49/60/06/604496006.db2.gz LXOZMQNYFFCMNW-UHFFFAOYSA-N -1 0 346.423 3.694 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@H]1CC(=O)[O-])c1csc2ccccc21 ZINC000827654067 604510286 /nfs/dbraw/zinc/51/02/86/604510286.db2.gz XUYAFROPZJZZFQ-NEPJUHHUSA-N -1 0 332.425 3.611 20 0 EHADRM Cc1ccccc1[C@H]1CCN(C(=O)Nc2cc(C(=O)[O-])cs2)C1 ZINC000832977450 604512265 /nfs/dbraw/zinc/51/22/65/604512265.db2.gz KNWNOBLLQXFNOV-LBPRGKRZSA-N -1 0 330.409 3.776 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)N1CCC2(CCCC2)C1)c1ccccc1 ZINC000826096457 604533990 /nfs/dbraw/zinc/53/39/90/604533990.db2.gz VYVYVXZILWPSRW-INIZCTEOSA-N -1 0 344.455 3.814 20 0 EHADRM C[C@@H]1C[C@@H](C)CN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000828160819 604534178 /nfs/dbraw/zinc/53/41/78/604534178.db2.gz KLTRHGOGQQLVEN-FMKPAKJESA-N -1 0 332.444 3.526 20 0 EHADRM COc1cccc(CCC(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)c1 ZINC000832545241 604558731 /nfs/dbraw/zinc/55/87/31/604558731.db2.gz BREHQXZRJFTJCL-GFCCVEGCSA-N -1 0 332.352 3.532 20 0 EHADRM CC[C@H](C(=O)N1CCC[C@H]1CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000262842212 604560135 /nfs/dbraw/zinc/56/01/35/604560135.db2.gz CIOCHFFIOYZKGA-KBPBESRZSA-N -1 0 343.345 3.665 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2oc3c(c2C)C(=O)CCC3)oc1C(=O)[O-] ZINC000832876867 604565032 /nfs/dbraw/zinc/56/50/32/604565032.db2.gz YQEYPJPJTBHNKI-JTQLQIEISA-N -1 0 346.335 3.625 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)CCSC(F)(F)F)oc1C(=O)[O-] ZINC000832871458 604566740 /nfs/dbraw/zinc/56/67/40/604566740.db2.gz HHQJQPAXTWABHG-SSDOTTSWSA-N -1 0 326.292 3.534 20 0 EHADRM CCC(=O)Nc1cccc(C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)c1 ZINC000828570594 604568098 /nfs/dbraw/zinc/56/80/98/604568098.db2.gz NJEXUZOBQJOBOC-LLVKDONJSA-N -1 0 345.351 3.553 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@H]1CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000262897849 604571691 /nfs/dbraw/zinc/57/16/91/604571691.db2.gz IKUBYNQKDJVDRP-RISCZKNCSA-N -1 0 343.345 3.665 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)Cc2cn(C)c3ccccc23)oc1C(=O)[O-] ZINC000832870677 604572757 /nfs/dbraw/zinc/57/27/57/604572757.db2.gz BQLYZOMDJDOOHE-GFCCVEGCSA-N -1 0 341.363 3.625 20 0 EHADRM CCc1ncc(C(=O)Nc2cccc(SCCC(=O)[O-])c2)s1 ZINC000833677494 604575296 /nfs/dbraw/zinc/57/52/96/604575296.db2.gz RNDJPBFZCZGZCN-UHFFFAOYSA-N -1 0 336.438 3.525 20 0 EHADRM CC(C)Oc1cccc(CN(C)C(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000262819640 604575427 /nfs/dbraw/zinc/57/54/27/604575427.db2.gz PKPUHZSSODLJIU-UHFFFAOYSA-N -1 0 333.409 3.506 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2cccc3c2ccn3C)oc1C(=O)[O-] ZINC000832874357 604579727 /nfs/dbraw/zinc/57/97/27/604579727.db2.gz JEBPIWNTMMPUCF-LLVKDONJSA-N -1 0 327.336 3.696 20 0 EHADRM CC[C@H](Nc1ccccc1)C(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000828999076 604584938 /nfs/dbraw/zinc/58/49/38/604584938.db2.gz PIYXPOWKEPQFGN-JSGCOSHPSA-N -1 0 331.368 3.781 20 0 EHADRM C[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)[C@H]1C ZINC000833614692 604587742 /nfs/dbraw/zinc/58/77/42/604587742.db2.gz RYWATVKUHQOLBA-ZJUUUORDSA-N -1 0 342.342 3.639 20 0 EHADRM Cc1cc([C@H](C)OC(=O)C[C@@H]2OCCc3ccccc32)oc1C(=O)[O-] ZINC000832874494 604587817 /nfs/dbraw/zinc/58/78/17/604587817.db2.gz KNNQDZUTMWNCJK-LRDDRELGSA-N -1 0 344.363 3.595 20 0 EHADRM C[C@H]1CC[C@H](C)N(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC000833603404 604587862 /nfs/dbraw/zinc/58/78/62/604587862.db2.gz AYXNDQQMAWOAOO-UWVGGRQHSA-N -1 0 342.342 3.639 20 0 EHADRM O=C([O-])c1cc(CN2CCC[C@H]2c2ccc(Br)cc2)c[nH]1 ZINC000833780140 604595561 /nfs/dbraw/zinc/59/55/61/604595561.db2.gz ROAFEEAQIFOIRZ-HNNXBMFYSA-N -1 0 349.228 3.813 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2sc(Cl)nc2C)oc1C(=O)[O-] ZINC000832876727 604598475 /nfs/dbraw/zinc/59/84/75/604598475.db2.gz YBZVWSJTTIMFKT-ZETCQYMHSA-N -1 0 329.761 3.623 20 0 EHADRM CCOCCC1(C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)CCCC1 ZINC000829994697 604600866 /nfs/dbraw/zinc/60/08/66/604600866.db2.gz QGDXWBKCVGZTAI-ZDUSSCGKSA-N -1 0 338.400 3.877 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2cccc(Cl)c2F)oc1C(=O)[O-] ZINC000832875260 604602218 /nfs/dbraw/zinc/60/22/18/604602218.db2.gz MWXSWZLPUIXROF-MRVPVSSYSA-N -1 0 326.707 3.997 20 0 EHADRM C[C@H](C(=O)Oc1c(C(=O)[O-])ccc2ccccc21)C1CCOCC1 ZINC000833410607 604606515 /nfs/dbraw/zinc/60/65/15/604606515.db2.gz ZDBPHFKZUWYAGO-LBPRGKRZSA-N -1 0 328.364 3.506 20 0 EHADRM Cc1nc(-c2ccccc2)ncc1C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC000832992476 604615417 /nfs/dbraw/zinc/61/54/17/604615417.db2.gz MFIZYZHNWFUNBY-UHFFFAOYSA-N -1 0 348.358 3.507 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000833213551 604634167 /nfs/dbraw/zinc/63/41/67/604634167.db2.gz KHUAVBUYBPRSOJ-QGZVFWFLSA-N -1 0 345.443 3.538 20 0 EHADRM CCCOc1cccc(CC(=O)Nc2cc(C)c(C(=O)[O-])s2)c1 ZINC000829537784 604634430 /nfs/dbraw/zinc/63/44/30/604634430.db2.gz HYWAKPQJONDAGG-UHFFFAOYSA-N -1 0 333.409 3.725 20 0 EHADRM O=C([O-])c1cccc(NC2CCN(c3nccc4occc43)CC2)c1 ZINC000570166163 604636618 /nfs/dbraw/zinc/63/66/18/604636618.db2.gz JJBIMKFZTHMBNN-UHFFFAOYSA-N -1 0 337.379 3.607 20 0 EHADRM Cc1cc(CNc2cccc3ccncc32)cc(C)c1OCC(=O)[O-] ZINC000832885762 604660678 /nfs/dbraw/zinc/66/06/78/604660678.db2.gz RMYDPSNYXWRJAM-UHFFFAOYSA-N -1 0 336.391 3.927 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000540774642 604672010 /nfs/dbraw/zinc/67/20/10/604672010.db2.gz PDGIPRHUOFRCNY-BHYGNILZSA-N -1 0 329.440 3.793 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@@H]1CC(=O)[O-])c1cccc2ccccc21 ZINC000827653317 604673104 /nfs/dbraw/zinc/67/31/04/604673104.db2.gz NLNCPWRSZTWJKJ-UKRRQHHQSA-N -1 0 326.396 3.550 20 0 EHADRM CCc1ccc(CN(C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)o1 ZINC000833670765 604674670 /nfs/dbraw/zinc/67/46/70/604674670.db2.gz VLQQICLPTWPGMK-HNNXBMFYSA-N -1 0 327.302 3.517 20 0 EHADRM CCCC[C@@H](NC(=O)N1CCC[C@H]1CC(=O)[O-])c1ccc(OC)cc1 ZINC000829286043 604685074 /nfs/dbraw/zinc/68/50/74/604685074.db2.gz QDLWIHDHFXQFOX-DOTOQJQBSA-N -1 0 348.443 3.575 20 0 EHADRM CCc1cc(C)c(C(=O)N[C@H](CC(=O)[O-])c2ccc(SC)cc2)o1 ZINC000237127517 604685747 /nfs/dbraw/zinc/68/57/47/604685747.db2.gz XHJBPIBTROLOCV-OAHLLOKOSA-N -1 0 347.436 3.818 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)Cc1ccc(F)cc1Cl)c1ccccc1 ZINC000833222139 604689134 /nfs/dbraw/zinc/68/91/34/604689134.db2.gz LBIXRHMJMQEFFN-MRXNPFEDSA-N -1 0 349.789 3.744 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2ccc(-c3ccco3)s2)c1O ZINC000833158447 604689504 /nfs/dbraw/zinc/68/95/04/604689504.db2.gz HHIMZTWJCKZYDI-UHFFFAOYSA-N -1 0 329.333 3.664 20 0 EHADRM CCC[C@H](C(=O)OCC(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000833647284 604695152 /nfs/dbraw/zinc/69/51/52/604695152.db2.gz ADDNITTXTAIWHK-KRWDZBQOSA-N -1 0 340.375 3.695 20 0 EHADRM CN(C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)C1(C(=O)[O-])CCCC1 ZINC000830455893 604720048 /nfs/dbraw/zinc/72/00/48/604720048.db2.gz AGFKACXBAOKZIP-MSOLQXFVSA-N -1 0 337.419 3.799 20 0 EHADRM C/C(=C\c1cccc(Cl)c1)C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000833386758 604725762 /nfs/dbraw/zinc/72/57/62/604725762.db2.gz RTQAUQOQUZPSPI-PLWJUESGSA-N -1 0 335.812 3.747 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1c(O)cccc1Cl)c1ccccc1 ZINC000833415830 604731537 /nfs/dbraw/zinc/73/15/37/604731537.db2.gz XZTMLYPJYYCVDQ-OAHLLOKOSA-N -1 0 347.798 3.628 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NCCCc2cccs2)cc1 ZINC000833419702 604734302 /nfs/dbraw/zinc/73/43/02/604734302.db2.gz VACBGVNXOJBGHK-UHFFFAOYSA-N -1 0 346.452 3.865 20 0 EHADRM CCC[C@H](C(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccccc1 ZINC000829184669 604738361 /nfs/dbraw/zinc/73/83/61/604738361.db2.gz NWISIWVVOTVHHP-AWEZNQCLSA-N -1 0 332.425 3.683 20 0 EHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000833384332 604740429 /nfs/dbraw/zinc/74/04/29/604740429.db2.gz PSRPIYLNMGOTCP-XYOKQWHBSA-N -1 0 341.794 3.984 20 0 EHADRM C[C@H](Sc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1)C(=O)[O-] ZINC000827922727 604750591 /nfs/dbraw/zinc/75/05/91/604750591.db2.gz XGRBYHFWIHLVDO-VIFPVBQESA-N -1 0 349.799 3.746 20 0 EHADRM CC(C)(C)c1nc(NC(=O)C2CCC(F)(F)CC2)sc1C(=O)[O-] ZINC000833451528 604769967 /nfs/dbraw/zinc/76/99/67/604769967.db2.gz WOCNOXYKDHQYJX-UHFFFAOYSA-N -1 0 346.399 3.903 20 0 EHADRM CCC(=O)c1cccc(N[C@@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)c1 ZINC000828580749 604792725 /nfs/dbraw/zinc/79/27/25/604792725.db2.gz SUPYQFALCHRMND-LBPRGKRZSA-N -1 0 342.395 3.606 20 0 EHADRM CC(C)(C(=O)Nc1cccc(C(=O)[O-])c1O)c1ccccc1Cl ZINC000833411855 604797761 /nfs/dbraw/zinc/79/77/61/604797761.db2.gz SKFUWPOTEDTBBM-UHFFFAOYSA-N -1 0 333.771 3.660 20 0 EHADRM C[C@@H](CC(=O)Nc1cccc(C(F)F)c1)C1CCN(C(=O)[O-])CC1 ZINC000824694311 604810454 /nfs/dbraw/zinc/81/04/54/604810454.db2.gz FESCNPVXODKHEQ-NSHDSACASA-N -1 0 340.370 3.979 20 0 EHADRM C/C(=C/C(=O)N1CCc2ccc(C(=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000777376509 604811921 /nfs/dbraw/zinc/81/19/21/604811921.db2.gz AVFGXAYOAANOEK-RAXLEYEMSA-N -1 0 339.366 3.512 20 0 EHADRM CC1(C)CCC[C@@H](CC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)C1 ZINC000833561457 604816156 /nfs/dbraw/zinc/81/61/56/604816156.db2.gz PCPRWMALTFTFOJ-AWEZNQCLSA-N -1 0 329.440 3.876 20 0 EHADRM Cc1ccc2cc(C(=O)N[C@H](CC(=O)[O-])c3cccs3)ccc2n1 ZINC000832962016 604817351 /nfs/dbraw/zinc/81/73/51/604817351.db2.gz NRGCCHHPFYDZLT-OAHLLOKOSA-N -1 0 340.404 3.551 20 0 EHADRM Cc1ccc2cc(C(=O)N3CCCc4c(C(=O)[O-])cccc43)ccc2n1 ZINC000832960809 604817426 /nfs/dbraw/zinc/81/74/26/604817426.db2.gz UTNIUTLVEOVQSG-UHFFFAOYSA-N -1 0 346.386 3.834 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccc(F)cc1Cl ZINC000827695239 604823067 /nfs/dbraw/zinc/82/30/67/604823067.db2.gz PMCZGKZSYQUWAT-MRVPVSSYSA-N -1 0 339.725 3.807 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1OC(F)F ZINC000832947697 604824824 /nfs/dbraw/zinc/82/48/24/604824824.db2.gz ATOCAONVWPCESA-UHFFFAOYSA-N -1 0 339.269 3.686 20 0 EHADRM Cc1ccc2cc(C(=O)Nc3ccc(CCC(=O)[O-])cc3)ccc2n1 ZINC000832961937 604825697 /nfs/dbraw/zinc/82/56/97/604825697.db2.gz IKBOZEKGTOIDDM-UHFFFAOYSA-N -1 0 334.375 3.813 20 0 EHADRM Cc1ccc2cc(C(=O)N[C@@H](c3ccccc3)[C@H](C)C(=O)[O-])ccc2n1 ZINC000832961740 604829091 /nfs/dbraw/zinc/82/90/91/604829091.db2.gz AWSRUSFBZAITQG-IFXJQAMLSA-N -1 0 348.402 3.735 20 0 EHADRM C/C(=C\c1cccc(Cl)c1)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000761390102 604835416 /nfs/dbraw/zinc/83/54/16/604835416.db2.gz BGWBWSPNGDZVQH-JIIJFUIFSA-N -1 0 343.810 3.555 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc3ccccc3c2)cc1 ZINC000013187108 604840664 /nfs/dbraw/zinc/84/06/64/604840664.db2.gz UVBLEQMOULXBAA-LJQANCHMSA-N -1 0 349.386 3.794 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)/C=C/C2CCCCC2)cc1Cl ZINC000237955050 604845620 /nfs/dbraw/zinc/84/56/20/604845620.db2.gz KXXBIXYBECCEEW-RMKNXTFCSA-N -1 0 337.803 3.878 20 0 EHADRM CC(C)(C)C1=CCN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)CC1 ZINC000326083129 604854646 /nfs/dbraw/zinc/85/46/46/604854646.db2.gz PGFJJMMQNOHBAR-UHFFFAOYSA-N -1 0 330.428 3.914 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(F)cc2C)cc1 ZINC000191071923 604859766 /nfs/dbraw/zinc/85/97/66/604859766.db2.gz WEDJJCGXYJZCGW-MRXNPFEDSA-N -1 0 347.411 3.802 20 0 EHADRM CC[C@](NC(=O)[C@H]1CCCc2sccc21)(C(=O)[O-])c1ccccc1 ZINC000431427346 604861790 /nfs/dbraw/zinc/86/17/90/604861790.db2.gz MYPCAKAMUMKQIL-HNAYVOBHSA-N -1 0 343.448 3.674 20 0 EHADRM CCC(CC)n1ccc(COC(=O)c2ccccc2N(C)C(=O)[O-])n1 ZINC000828869905 604862702 /nfs/dbraw/zinc/86/27/02/604862702.db2.gz GTUWAZCDKPXEFH-UHFFFAOYSA-N -1 0 345.399 3.715 20 0 EHADRM O=C([O-])c1csc(NC(=O)N2CCc3c([nH]c4ccccc43)C2)c1 ZINC000833784915 604863292 /nfs/dbraw/zinc/86/32/92/604863292.db2.gz SMRNUDNQTNFQPT-UHFFFAOYSA-N -1 0 341.392 3.518 20 0 EHADRM Cc1sc2ncnc(N3CCC[C@H](C(C)(C)C(=O)[O-])C3)c2c1C ZINC000322099104 604872001 /nfs/dbraw/zinc/87/20/01/604872001.db2.gz VLYGVXCJHJXKGT-LBPRGKRZSA-N -1 0 333.457 3.635 20 0 EHADRM CCc1nc2sccc2c(N2CCC[C@H](C(C)(C)C(=O)[O-])C2)n1 ZINC000649405900 604872583 /nfs/dbraw/zinc/87/25/83/604872583.db2.gz SXSHCGYKXPGBRQ-NSHDSACASA-N -1 0 333.457 3.581 20 0 EHADRM Cc1cc(C)cc(CCC(=O)Nc2ccc(OCCC(=O)[O-])cc2)c1 ZINC000832877810 604881042 /nfs/dbraw/zinc/88/10/42/604881042.db2.gz ZBBLXURNNZDPRA-UHFFFAOYSA-N -1 0 341.407 3.728 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000013224956 604881863 /nfs/dbraw/zinc/88/18/63/604881863.db2.gz FEOXZRCCBVKVEZ-CQSZACIVSA-N -1 0 338.190 3.939 20 0 EHADRM Cc1ccc(C(=O)O[C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)cn1 ZINC000833747808 604882878 /nfs/dbraw/zinc/88/28/78/604882878.db2.gz KDWCCZZOBNVFMN-ZDUSSCGKSA-N -1 0 339.269 3.549 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)[C@@H]1CCCc2sccc21)c1ccccc1 ZINC000365373733 604883418 /nfs/dbraw/zinc/88/34/18/604883418.db2.gz DABRJBXPWOOGCU-XGWLTEMNSA-N -1 0 343.448 3.746 20 0 EHADRM CC(C)c1ccc(OCC(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000236673812 604883564 /nfs/dbraw/zinc/88/35/64/604883564.db2.gz LEBFVCYYJDXSLO-GOSISDBHSA-N -1 0 341.407 3.521 20 0 EHADRM CC[C@@H](OC(=O)c1ccc(C(=O)[O-])c(F)c1)c1cccc(OC)c1 ZINC000829005147 604885420 /nfs/dbraw/zinc/88/54/20/604885420.db2.gz VYACUOGWXWJDLH-MRXNPFEDSA-N -1 0 332.327 3.841 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000391999807 604886845 /nfs/dbraw/zinc/88/68/45/604886845.db2.gz NMLDCYGSRWBSRN-HNNXBMFYSA-N -1 0 325.408 3.803 20 0 EHADRM CC(C)C[C@@H](OC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccccn1 ZINC000826818549 604886966 /nfs/dbraw/zinc/88/69/66/604886966.db2.gz AZVTVRZZUIZGIU-MRXNPFEDSA-N -1 0 331.343 3.863 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2ccc(Cl)cc2Cl)C1 ZINC000317357552 604889695 /nfs/dbraw/zinc/88/96/95/604889695.db2.gz ZFIGYNJTDXWTQZ-JTQLQIEISA-N -1 0 344.238 3.956 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)/C=C\c2ccccc2Cl)C1 ZINC000322202974 604889818 /nfs/dbraw/zinc/88/98/18/604889818.db2.gz TVNDXBCONCTGMX-CFYYFVFUSA-N -1 0 335.831 3.703 20 0 EHADRM C[C@@]1(NC(=O)c2cnc(-c3ccccc3)s2)CCCC[C@H]1C(=O)[O-] ZINC000262868658 604891393 /nfs/dbraw/zinc/89/13/93/604891393.db2.gz UTWHELUHIOXOCA-SCLBCKFNSA-N -1 0 344.436 3.573 20 0 EHADRM C[C@@]1(NC(=O)c2cc(F)c(Cl)cc2Cl)CCCC[C@@H]1C(=O)[O-] ZINC000262833923 604892863 /nfs/dbraw/zinc/89/28/63/604892863.db2.gz RFWPVAFSIKBXFY-RFAUZJTJSA-N -1 0 348.201 3.896 20 0 EHADRM C[C@@]1(NC(=O)c2ccc(Cl)cc2Cl)CCCC[C@H]1C(=O)[O-] ZINC000262727679 604893234 /nfs/dbraw/zinc/89/32/34/604893234.db2.gz GVVYWKUFNAIJCH-XHDPSFHLSA-N -1 0 330.211 3.757 20 0 EHADRM CC(C)COc1cccc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000326852928 604896702 /nfs/dbraw/zinc/89/67/02/604896702.db2.gz QQNYEESYMZQFEH-MRXNPFEDSA-N -1 0 347.455 3.684 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C2(Cc3ccccc3)CCC2)C1 ZINC000679104145 604897411 /nfs/dbraw/zinc/89/74/11/604897411.db2.gz SEQRRFBLPLKSJX-QGZVFWFLSA-N -1 0 343.467 3.749 20 0 EHADRM O=C([O-])c1cncc(NC(=O)CC(c2ccccc2)c2ccccc2)c1 ZINC000833094398 604899824 /nfs/dbraw/zinc/89/98/24/604899824.db2.gz BNJOYFZRZBHRKV-UHFFFAOYSA-N -1 0 346.386 3.941 20 0 EHADRM O=C([O-])c1cncc(NC(=O)Cc2ccc(-c3ccccc3)cc2)c1 ZINC000833117645 604900249 /nfs/dbraw/zinc/90/02/49/604900249.db2.gz ZFIWLPOFGLFYGL-UHFFFAOYSA-N -1 0 332.359 3.628 20 0 EHADRM COc1ccccc1[C@H](NC(=O)[O-])C(=O)Nc1cc(C)ccc1Cl ZINC000829610923 604903344 /nfs/dbraw/zinc/90/33/44/604903344.db2.gz HTGVQMMALPBQOY-HNNXBMFYSA-N -1 0 348.786 3.604 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1scnc1C1CC1)c1ccccc1 ZINC000833412918 604911544 /nfs/dbraw/zinc/91/15/44/604911544.db2.gz MGOUJCDZCQCQJN-OAHLLOKOSA-N -1 0 344.436 3.602 20 0 EHADRM C[C@@H]1CCCCCN1C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000828251301 604913502 /nfs/dbraw/zinc/91/35/02/604913502.db2.gz GGVUUFDLOSZLCZ-LLVKDONJSA-N -1 0 340.807 3.600 20 0 EHADRM Cc1c[nH]c(-c2ccccc2NC(=O)CCc2ccc(C(=O)[O-])cc2)n1 ZINC000832856598 604913541 /nfs/dbraw/zinc/91/35/41/604913541.db2.gz SYHJFLVCAFTOLX-UHFFFAOYSA-N -1 0 349.390 3.655 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)/C=C\c1ccccc1F ZINC000777392659 604933896 /nfs/dbraw/zinc/93/38/96/604933896.db2.gz SZIKUFBBBFDRND-SEYXRHQNSA-N -1 0 341.382 3.733 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)C=C(C1CC1)C1CC1 ZINC000271932688 604934110 /nfs/dbraw/zinc/93/41/10/604934110.db2.gz AGSGEVOJQVSZRQ-UHFFFAOYSA-N -1 0 327.424 3.626 20 0 EHADRM CC[C@H]1CCc2nc(NC(=O)c3ccc(C(=O)[O-])c(F)c3)sc2C1 ZINC000829133903 604941077 /nfs/dbraw/zinc/94/10/77/604941077.db2.gz GVDMDETYXMMALA-VIFPVBQESA-N -1 0 348.399 3.748 20 0 EHADRM C[C@@]1(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)CCCC[C@@H]1C(=O)[O-] ZINC000431864648 604958762 /nfs/dbraw/zinc/95/87/62/604958762.db2.gz XMELTEHAGFXBOI-RDTXWAMCSA-N -1 0 348.830 3.514 20 0 EHADRM C[C@@]1(NC(=O)c2cc(-c3ccccc3)ns2)CCCC[C@@H]1C(=O)[O-] ZINC000833567895 604965779 /nfs/dbraw/zinc/96/57/79/604965779.db2.gz UJEXKBHHKIGPMU-FZKQIMNGSA-N -1 0 344.436 3.573 20 0 EHADRM Cc1cc(C)cc([C@@H](C)NC(=O)Nc2nc(CCC(=O)[O-])cs2)c1 ZINC000832875044 604972067 /nfs/dbraw/zinc/97/20/67/604972067.db2.gz OSSIYHFZYNGISV-GFCCVEGCSA-N -1 0 347.440 3.660 20 0 EHADRM CCc1ccc([C@@H](C)NC(=O)Nc2nc(CCC(=O)[O-])cs2)cc1 ZINC000830237271 604982132 /nfs/dbraw/zinc/98/21/32/604982132.db2.gz IMLWDQRSHURMRG-LLVKDONJSA-N -1 0 347.440 3.605 20 0 EHADRM O=C([O-])[C@H](Nc1ccc(OCc2ccccc2)cc1)c1cccnc1 ZINC000833169197 604984724 /nfs/dbraw/zinc/98/47/24/604984724.db2.gz IFDMIIGISOIPCC-LJQANCHMSA-N -1 0 334.375 3.898 20 0 EHADRM CCc1nc(NC(=O)C[C@@H](C)c2ccccc2C)sc1C(=O)[O-] ZINC000833676560 604994421 /nfs/dbraw/zinc/99/44/21/604994421.db2.gz RROZLGAHOXYKIA-LLVKDONJSA-N -1 0 332.425 3.844 20 0 EHADRM COc1ccc(CNC(=O)N2CCC[C@@H]2CCC(C)C)cc1C(=O)[O-] ZINC000832323061 604998096 /nfs/dbraw/zinc/99/80/96/604998096.db2.gz BORXMPKIOFDQQW-OAHLLOKOSA-N -1 0 348.443 3.504 20 0 EHADRM Cc1ccc(N[C@H](C(=O)[O-])c2cccnc2)cc1NC(=O)C(C)(C)C ZINC000832948966 605000996 /nfs/dbraw/zinc/00/09/96/605000996.db2.gz KWQFJYBEWFEJLO-INIZCTEOSA-N -1 0 341.411 3.612 20 0 EHADRM O=C([O-])c1cccc(CNc2ccc(F)cc2OCC(F)F)c1 ZINC000833783560 605005644 /nfs/dbraw/zinc/00/56/44/605005644.db2.gz RJRQCGJLLFOFOC-UHFFFAOYSA-N -1 0 325.286 3.780 20 0 EHADRM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000833617221 605009180 /nfs/dbraw/zinc/00/91/80/605009180.db2.gz OYPURSMNIFOTQQ-DIFFPNOSSA-N -1 0 327.355 3.577 20 0 EHADRM O=C([O-])c1cccc(COC(=O)c2ccc(F)c(Cl)c2F)c1 ZINC000833783552 605016062 /nfs/dbraw/zinc/01/60/62/605016062.db2.gz PYGVEPGINYHNGA-UHFFFAOYSA-N -1 0 326.682 3.673 20 0 EHADRM C[C@@H](C(=O)O[C@@H](C(=O)[O-])c1ccccc1F)c1c(F)cccc1F ZINC000833406269 605035893 /nfs/dbraw/zinc/03/58/93/605035893.db2.gz MHMBISLJPZOGIT-RFAUZJTJSA-N -1 0 338.281 3.577 20 0 EHADRM CCC[C@@H](C(=O)O[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C)C(C)C ZINC000833647529 605036440 /nfs/dbraw/zinc/03/64/40/605036440.db2.gz GIKHGQLEWBRQRX-DZGCQCFKSA-N -1 0 349.427 3.636 20 0 EHADRM Cc1ccc([C@@H](CNc2ncncc2-c2ccccc2)C(=O)[O-])cc1 ZINC000833749112 605046577 /nfs/dbraw/zinc/04/65/77/605046577.db2.gz MMURRTJHVZPPJD-GOSISDBHSA-N -1 0 333.391 3.732 20 0 EHADRM C[C@H](c1ccc(C(=O)[O-])o1)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000833547912 605047028 /nfs/dbraw/zinc/04/70/28/605047028.db2.gz YTFHWOILCSTHNG-GFCCVEGCSA-N -1 0 325.368 3.561 20 0 EHADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)C/C=C\c1ccc(C(C)C)cc1 ZINC000833503658 605047594 /nfs/dbraw/zinc/04/75/94/605047594.db2.gz HRCJJHFRBJVQFJ-HPFMTEOYSA-N -1 0 347.455 3.550 20 0 EHADRM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000833547703 605049502 /nfs/dbraw/zinc/04/95/02/605049502.db2.gz HTIQLPLKXYYJED-KBPBESRZSA-N -1 0 346.402 3.557 20 0 EHADRM C[C@H](CC(=O)N[C@H](CC(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000190473166 605052756 /nfs/dbraw/zinc/05/27/56/605052756.db2.gz NMTSVLPGKCKKFN-SJKOYZFVSA-N -1 0 347.361 3.791 20 0 EHADRM Cc1cccc(-c2nnc(SCc3ccccc3CC(=O)[O-])o2)c1 ZINC000833752112 605056974 /nfs/dbraw/zinc/05/69/74/605056974.db2.gz LCLRIVIGQYTHEK-UHFFFAOYSA-N -1 0 340.404 3.964 20 0 EHADRM C[C@@]1(CNC(=O)c2cccc(NC(=O)[O-])c2)CCCc2ccccc21 ZINC000833563367 605064957 /nfs/dbraw/zinc/06/49/57/605064957.db2.gz JKIFDFGTXXEUQQ-FQEVSTJZSA-N -1 0 338.407 3.801 20 0 EHADRM CC(C)OC1CCC(NC(=O)Nc2ccc(NC(=O)[O-])cc2)CC1 ZINC000833504828 605095811 /nfs/dbraw/zinc/09/58/11/605095811.db2.gz UXPPGTDRJJAVCW-UHFFFAOYSA-N -1 0 335.404 3.634 20 0 EHADRM C[C@@H]1CC[C@@]2(CCN(C(=O)Nc3ccc(CCC(=O)[O-])cc3)C2)C1 ZINC000833610273 605096283 /nfs/dbraw/zinc/09/62/83/605096283.db2.gz KHAWPSYGJLUSIE-AUUYWEPGSA-N -1 0 330.428 3.748 20 0 EHADRM CCC(CC)(CNC(=O)N1CC(C)(C)[C@H]1c1ccccc1)C(=O)[O-] ZINC000833640589 605097453 /nfs/dbraw/zinc/09/74/53/605097453.db2.gz CMZVPNGOMMIDOT-OAHLLOKOSA-N -1 0 332.444 3.670 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(OCc2cscn2)c1 ZINC000833454834 605106277 /nfs/dbraw/zinc/10/62/77/605106277.db2.gz ULYBOYDLHVYYLJ-UHFFFAOYSA-N -1 0 348.424 3.552 20 0 EHADRM C[C@@H]1CC[C@@H](NC(=O)c2ccc(OCC(=O)[O-])cc2)c2ccccc21 ZINC000659759040 605108701 /nfs/dbraw/zinc/10/87/01/605108701.db2.gz NEVAQZRDXDDBKI-FZKQIMNGSA-N -1 0 339.391 3.518 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000833641649 605109042 /nfs/dbraw/zinc/10/90/42/605109042.db2.gz KZXHMWHIPMKAPM-UHFFFAOYSA-N -1 0 333.363 3.642 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)OCc1cccc(OC(F)(F)F)c1 ZINC000833455063 605110708 /nfs/dbraw/zinc/11/07/08/605110708.db2.gz HAPLWVGWKNULLO-UHFFFAOYSA-N -1 0 334.290 3.519 20 0 EHADRM C[C@]1(NC(=O)[C@@H]2CCc3c2cccc3Cl)CCCC[C@@H]1C(=O)[O-] ZINC000833568042 605112694 /nfs/dbraw/zinc/11/26/94/605112694.db2.gz XJTFXVPWSNJZNO-LBTNJELSSA-N -1 0 335.831 3.520 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CC[C@]2(CC[C@@H](C)C2)C1)C(=O)[O-] ZINC000450537653 605118433 /nfs/dbraw/zinc/11/84/33/605118433.db2.gz DHISHRZKLQMXRY-TYILLQQXSA-N -1 0 347.480 3.904 20 0 EHADRM C[C@@H]1CC[C@@H](NC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)c2ccccc21 ZINC000833605526 605127719 /nfs/dbraw/zinc/12/77/19/605127719.db2.gz ZXQKDWDXVOHSQP-XOKHGSTOSA-N -1 0 342.439 3.521 20 0 EHADRM CCCN(CCC)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000132484932 605128238 /nfs/dbraw/zinc/12/82/38/605128238.db2.gz NFIWSJKZSXMLAJ-UHFFFAOYSA-N -1 0 343.221 3.801 20 0 EHADRM CCC(CC)n1nc(C(=O)Nc2ccc(OC)cc2C(=O)[O-])cc1C ZINC000263278530 605139973 /nfs/dbraw/zinc/13/99/73/605139973.db2.gz JDWMIPPXSJRTPN-UHFFFAOYSA-N -1 0 345.399 3.512 20 0 EHADRM CC1(C)CC[C@@H]2C[C@H](NC(=O)NCCCCC(=O)[O-])c3cccc1c32 ZINC000666540146 605146634 /nfs/dbraw/zinc/14/66/34/605146634.db2.gz HXWHAZYGPULQRX-CJNGLKHVSA-N -1 0 344.455 3.841 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc(Br)cc1 ZINC000190601242 605147243 /nfs/dbraw/zinc/14/72/43/605147243.db2.gz MQZPRVWPMQQTQO-SNVBAGLBSA-N -1 0 348.196 3.890 20 0 EHADRM C[C@@H]1CC(=O)c2c1c(F)ccc2OCCOc1ccccc1C(=O)[O-] ZINC000833593982 605151005 /nfs/dbraw/zinc/15/10/05/605151005.db2.gz WDVPFXQVUCITIK-LLVKDONJSA-N -1 0 344.338 3.672 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)C1 ZINC000833602101 605157685 /nfs/dbraw/zinc/15/76/85/605157685.db2.gz PDPQEZCBZKKBLF-BDAKNGLRSA-N -1 0 326.190 3.522 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C(=O)[O-])c2ccccc2)c1C(C)C ZINC000833400683 605159248 /nfs/dbraw/zinc/15/92/48/605159248.db2.gz MTZHPPYEVDXDBA-KRWDZBQOSA-N -1 0 343.379 3.632 20 0 EHADRM Cc1ccc(C(=O)OCc2c3ccccc3sc2C(=O)[O-])nc1 ZINC000833747940 605160280 /nfs/dbraw/zinc/16/02/80/605160280.db2.gz OSQZIFVZUOVJCL-UHFFFAOYSA-N -1 0 327.361 3.660 20 0 EHADRM C[C@@H](Nc1cncc(C(=O)[O-])n1)c1c(Cl)ccc(F)c1Cl ZINC000833524874 605180026 /nfs/dbraw/zinc/18/00/26/605180026.db2.gz KDCHASHFBAWXJM-ZCFIWIBFSA-N -1 0 330.146 3.794 20 0 EHADRM CC1=C(C(=O)[O-])[C@@H](c2ccc(Sc3ccccc3)cc2)NC(=O)N1 ZINC000833576177 605189870 /nfs/dbraw/zinc/18/98/70/605189870.db2.gz HLZZPCFFSHOJII-MRXNPFEDSA-N -1 0 340.404 3.550 20 0 EHADRM CCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C(=O)[O-])c1ccccc1 ZINC000833649285 605191888 /nfs/dbraw/zinc/19/18/88/605191888.db2.gz LSZBTVFBFVKDMW-MRXNPFEDSA-N -1 0 347.436 3.513 20 0 EHADRM CC(C)(CCC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC000192961867 605210878 /nfs/dbraw/zinc/21/08/78/605210878.db2.gz VBQWCLGGOSSKFN-QGZVFWFLSA-N -1 0 337.419 3.959 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1c(F)ccc(C)c1F ZINC000833749633 605213889 /nfs/dbraw/zinc/21/38/89/605213889.db2.gz QKIVADQMJKIGHT-UHFFFAOYSA-N -1 0 326.320 3.698 20 0 EHADRM CCc1nc(Cn2nc(C(=O)[O-])cc2-c2ccccc2Cl)cs1 ZINC000833672686 605217111 /nfs/dbraw/zinc/21/71/11/605217111.db2.gz CZQZXZYGIFLDNY-UHFFFAOYSA-N -1 0 347.827 3.969 20 0 EHADRM COc1cccc2c1CC[C@@H]2Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000833736010 605219766 /nfs/dbraw/zinc/21/97/66/605219766.db2.gz RWHAQZIEKHWGMH-KRWDZBQOSA-N -1 0 326.396 3.904 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)[C@@H]2CCCC[C@H]21 ZINC000833624767 605227850 /nfs/dbraw/zinc/22/78/50/605227850.db2.gz UZEZHAQKVXAOFW-XOKHGSTOSA-N -1 0 330.428 3.746 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)Nc2ncc(C3CCCCC3)s2)C1 ZINC000262999839 605229188 /nfs/dbraw/zinc/22/91/88/605229188.db2.gz FXFFINPZANZOSN-MRXNPFEDSA-N -1 0 337.445 3.519 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@H]2CCc3c2cccc3Cl)cc1 ZINC000833775790 605231892 /nfs/dbraw/zinc/23/18/92/605231892.db2.gz QIAAIOOVDOSNBI-HNNXBMFYSA-N -1 0 329.783 3.636 20 0 EHADRM O=C([O-])N(CC1CC1)C1CCN(c2nc(C(F)(F)F)cs2)CC1 ZINC000831825702 605236740 /nfs/dbraw/zinc/23/67/40/605236740.db2.gz FEFLNYFBZXVUQN-UHFFFAOYSA-N -1 0 349.378 3.521 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)c1cccc(Oc2nccs2)c1)C(=O)[O-] ZINC000833430330 605239701 /nfs/dbraw/zinc/23/97/01/605239701.db2.gz VPORWJKIKZVLQU-ZDUSSCGKSA-N -1 0 349.408 3.982 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1cc(OC)ccc1NC(=O)[O-] ZINC000826581554 605240275 /nfs/dbraw/zinc/24/02/75/605240275.db2.gz NUPPCMZZTHZHDG-UHFFFAOYSA-N -1 0 346.387 3.595 20 0 EHADRM O=C([O-])N1CCc2cccc(CNc3ccc(-c4cnco4)cc3)c21 ZINC000832087609 605247280 /nfs/dbraw/zinc/24/72/80/605247280.db2.gz YGOLJKIPUBVXGI-UHFFFAOYSA-N -1 0 335.363 3.994 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)Cc2ccccc2C(=O)[O-])C1 ZINC000566893966 605251897 /nfs/dbraw/zinc/25/18/97/605251897.db2.gz HNQZMDQQSZHDSO-SCLBCKFNSA-N -1 0 341.382 3.676 20 0 EHADRM CC(C)(CCCc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC000833457015 605253691 /nfs/dbraw/zinc/25/36/91/605253691.db2.gz NICRSZVBXLQEMK-UHFFFAOYSA-N -1 0 326.396 3.767 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cn1 ZINC000833783023 605255973 /nfs/dbraw/zinc/25/59/73/605255973.db2.gz UTFUVYAEMQXXDO-UHFFFAOYSA-N -1 0 344.798 3.884 20 0 EHADRM CC(C)(C)C1CCC(=CC(=O)N[C@@H](C(=O)[O-])c2cccc(O)c2)CC1 ZINC000833426964 605267849 /nfs/dbraw/zinc/26/78/49/605267849.db2.gz XETBJVXIBCIDQK-KPMSDPLLSA-N -1 0 345.439 3.797 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)CN(C(=O)[O-])c2ccccc2)c1 ZINC000828831141 605289867 /nfs/dbraw/zinc/28/98/67/605289867.db2.gz OYDZKFZKNLFGGT-CYBMUJFWSA-N -1 0 328.368 3.517 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)c1ccc(NC(=O)[O-])cc1)C(F)(F)F ZINC000833423203 605294710 /nfs/dbraw/zinc/29/47/10/605294710.db2.gz FDFVQUBHUQVWMJ-NSHDSACASA-N -1 0 332.322 3.873 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)CCCc1ccsc1)c1ccccc1 ZINC000833413304 605298763 /nfs/dbraw/zinc/29/87/63/605298763.db2.gz ZCIDTEKBLWKPIJ-DYVFJYSZSA-N -1 0 331.437 3.649 20 0 EHADRM CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccc(NC(=O)[O-])cc2)CC1 ZINC000833436231 605300147 /nfs/dbraw/zinc/30/01/47/605300147.db2.gz DOVMNANNWFICJK-ZDUSSCGKSA-N -1 0 349.431 3.978 20 0 EHADRM Cc1ccc([C@H](CNC(=O)c2ccc(C)c(C)c2Cl)C(=O)[O-])cc1 ZINC000833749260 605308580 /nfs/dbraw/zinc/30/85/80/605308580.db2.gz OKNYDHJWQHTCPQ-INIZCTEOSA-N -1 0 345.826 3.863 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000833514373 605308741 /nfs/dbraw/zinc/30/87/41/605308741.db2.gz RVIXTJCJOXXYFR-HZMBPMFUSA-N -1 0 343.345 3.774 20 0 EHADRM Cc1cc(C(=O)N2CC[C@@H]2c2cccc(F)c2)ccc1NC(=O)[O-] ZINC000829924999 605321280 /nfs/dbraw/zinc/32/12/80/605321280.db2.gz MUIVFYLWOYLQAJ-MRXNPFEDSA-N -1 0 328.343 3.811 20 0 EHADRM CC[C@@H]1CN(C(=O)CCC(C)(C)c2ccccc2)CC[C@H]1NC(=O)[O-] ZINC000833849192 605339782 /nfs/dbraw/zinc/33/97/82/605339782.db2.gz QBELSGTVUMCEIL-NVXWUHKLSA-N -1 0 346.471 3.639 20 0 EHADRM C[C@H]1CCC[C@@H]1C(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC000833607871 605344275 /nfs/dbraw/zinc/34/42/75/605344275.db2.gz HYUPFIADLPVHPL-NHYWBVRUSA-N -1 0 344.436 3.807 20 0 EHADRM C[C@@]1(NC(=O)c2ccc(-c3ccccc3)o2)CCCC[C@H]1C(=O)[O-] ZINC000833567434 605367106 /nfs/dbraw/zinc/36/71/06/605367106.db2.gz LWAWCFGJBVFVIG-IFXJQAMLSA-N -1 0 327.380 3.710 20 0 EHADRM CN(Cc1ccccc1NC(=O)[C@@H]1CCCc2sccc21)C(=O)[O-] ZINC000828393565 605369655 /nfs/dbraw/zinc/36/96/55/605369655.db2.gz NCYIQUVZWDBDOF-CQSZACIVSA-N -1 0 344.436 3.917 20 0 EHADRM COc1cccc(CN(C)[C@H](C(=O)[O-])c2c(F)cccc2Cl)c1 ZINC000833735237 605371523 /nfs/dbraw/zinc/37/15/23/605371523.db2.gz HFKBHEHJIPSCBQ-INIZCTEOSA-N -1 0 337.778 3.745 20 0 EHADRM CCc1cnccc1CNc1nc(C)nc2sc(C(=O)[O-])c(C)c21 ZINC000833674792 605422700 /nfs/dbraw/zinc/42/27/00/605422700.db2.gz UEBXIAFVGVNUQB-UHFFFAOYSA-N -1 0 342.424 3.576 20 0 EHADRM CCc1[nH]c(C(=O)N2CC[C@H](c3cccc(C)c3)C2)c(C)c1C(=O)[O-] ZINC000833668576 605432001 /nfs/dbraw/zinc/43/20/01/605432001.db2.gz SKZHZPGZVJOUPE-HNNXBMFYSA-N -1 0 340.423 3.522 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)Nc2ccc(OCCC(=O)[O-])cc2)cc1 ZINC000833748265 605448433 /nfs/dbraw/zinc/44/84/33/605448433.db2.gz HKRCGTCQRAKKME-HNNXBMFYSA-N -1 0 341.407 3.666 20 0 EHADRM CC(=Cc1ccc(C)cc1)C(=O)OCC(=O)c1cccc(C(=O)[O-])c1 ZINC000833384345 605463002 /nfs/dbraw/zinc/46/30/02/605463002.db2.gz PVEBJSPQBSOFQA-GXDHUFHOSA-N -1 0 338.359 3.523 20 0 EHADRM O=C([O-])Nc1ccc(CN(Cc2ccco2)Cc2ccco2)cn1 ZINC000834259189 605465583 /nfs/dbraw/zinc/46/55/83/605465583.db2.gz USKVUXPWJPTMBB-UHFFFAOYSA-N -1 0 327.340 3.560 20 0 EHADRM CCN(Cc1ccccc1NC(=O)CCC(C)(C)C(C)=O)C(=O)[O-] ZINC000827182460 605469044 /nfs/dbraw/zinc/46/90/44/605469044.db2.gz MNXIEXMLVDOOMH-UHFFFAOYSA-N -1 0 334.416 3.520 20 0 EHADRM O=C([O-])N1CCC[C@H]1CCC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000833995596 605485489 /nfs/dbraw/zinc/48/54/89/605485489.db2.gz WPTFAEIOODGNSW-LSDHHAIUSA-N -1 0 336.819 3.536 20 0 EHADRM CCc1nc(NC(=O)[C@@H](C)Cc2ccc(C)cc2)sc1C(=O)[O-] ZINC000833674669 605500385 /nfs/dbraw/zinc/50/03/85/605500385.db2.gz STFHEZXVXHUSLI-NSHDSACASA-N -1 0 332.425 3.529 20 0 EHADRM CC(C)(C)Sc1cc(C(=O)Nc2sccc2C(=O)[O-])ccn1 ZINC000833447851 605503958 /nfs/dbraw/zinc/50/39/58/605503958.db2.gz CHZRWORIUYYIOT-UHFFFAOYSA-N -1 0 336.438 3.984 20 0 EHADRM CC(C)CCO[C@@H](C)C(=O)O[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833483346 605506148 /nfs/dbraw/zinc/50/61/48/605506148.db2.gz ISQYGPMJFRDQCF-IINYFYTJSA-N -1 0 346.782 3.599 20 0 EHADRM O=C([O-])Nc1ccc(CNc2cnn(-c3ccccc3Cl)c2)cn1 ZINC000834260433 605513593 /nfs/dbraw/zinc/51/35/93/605513593.db2.gz UAXDTDHLABJUOE-UHFFFAOYSA-N -1 0 343.774 3.623 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)cc1 ZINC000834255829 605541079 /nfs/dbraw/zinc/54/10/79/605541079.db2.gz KFYBVYSCZZQHKU-UHFFFAOYSA-N -1 0 346.293 3.843 20 0 EHADRM O=C([O-])NC[C@H]1CCCN1C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000832556596 605557060 /nfs/dbraw/zinc/55/70/60/605557060.db2.gz NIKWTQFKRQKNHK-SECBINFHSA-N -1 0 347.749 3.542 20 0 EHADRM COc1ccc(Cl)cc1NC(=O)C[C@@H](NC(=O)[O-])c1ccccc1 ZINC000829404255 605562684 /nfs/dbraw/zinc/56/26/84/605562684.db2.gz KMYQLUCALRCJLU-CYBMUJFWSA-N -1 0 348.786 3.686 20 0 EHADRM O=C([O-])NC1(c2noc(-c3cccc(-c4ccoc4)c3)n2)CCC1 ZINC000834155518 605572847 /nfs/dbraw/zinc/57/28/47/605572847.db2.gz JLQVLTMGEHUTTJ-UHFFFAOYSA-N -1 0 325.324 3.643 20 0 EHADRM C[C@H](c1cccs1)N(C)C(=O)C[C@H](NC(=O)[O-])c1ccccc1 ZINC000825644349 605590054 /nfs/dbraw/zinc/59/00/54/605590054.db2.gz BPZFIRMLTMTFKF-OCCSQVGLSA-N -1 0 332.425 3.667 20 0 EHADRM CC(=O)Nc1cccc(NC(=O)c2ccc(NC(=O)[O-])c(C)c2)c1C ZINC000823624199 605591930 /nfs/dbraw/zinc/59/19/30/605591930.db2.gz ZHBKAJBCRGIVNU-UHFFFAOYSA-N -1 0 341.367 3.604 20 0 EHADRM CCCCN(CC(F)(F)F)C(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000826830946 605613832 /nfs/dbraw/zinc/61/38/32/605613832.db2.gz WCTIGBIECAWZJN-UHFFFAOYSA-N -1 0 332.322 3.890 20 0 EHADRM CC(=O)Nc1ccc(C)c(NC(=O)c2ccc(NC(=O)[O-])c(C)c2)c1 ZINC000823597905 605614207 /nfs/dbraw/zinc/61/42/07/605614207.db2.gz NBKTWPJPUYHGCD-UHFFFAOYSA-N -1 0 341.367 3.604 20 0 EHADRM Cc1ccc(CN(C(=O)c2ccc(NC(=O)[O-])c(C)c2)C2CC2)o1 ZINC000830302248 605625803 /nfs/dbraw/zinc/62/58/03/605625803.db2.gz GGJCNBIWRROOMV-UHFFFAOYSA-N -1 0 328.368 3.791 20 0 EHADRM O=C([O-])N1CCc2cccc(CNc3cccc(-c4cc[nH]n4)c3)c21 ZINC000834121515 605645166 /nfs/dbraw/zinc/64/51/66/605645166.db2.gz SAOHXURCPCPUBN-UHFFFAOYSA-N -1 0 334.379 3.729 20 0 EHADRM CCOc1cccc([C@@H](C)NC(=O)c2ccc(NC(=O)[O-])c(C)c2)c1 ZINC000827448518 605654430 /nfs/dbraw/zinc/65/44/30/605654430.db2.gz PPYPSVWMVFKZHM-CYBMUJFWSA-N -1 0 342.395 3.975 20 0 EHADRM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(NC(=O)[O-])c(C)c2)s1 ZINC000830716712 605681637 /nfs/dbraw/zinc/68/16/37/605681637.db2.gz WSDBONUTLDICMM-LLVKDONJSA-N -1 0 347.440 3.991 20 0 EHADRM Cc1cc(C(=O)NC[C@@H]2CCCO[C@H]2C(C)(C)C)ccc1NC(=O)[O-] ZINC000829947118 605695487 /nfs/dbraw/zinc/69/54/87/605695487.db2.gz VPDUYWSONNPKCC-GOEBONIOSA-N -1 0 348.443 3.656 20 0 EHADRM C/C(=C\CN[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)C(=O)[O-] ZINC000833386184 605702332 /nfs/dbraw/zinc/70/23/32/605702332.db2.gz VVHTUWVGIVSEPZ-IOCXFXADSA-N -1 0 341.251 3.929 20 0 EHADRM Cc1cnc([C@H](NC(=O)c2ccc(NC(=O)[O-])c(C)c2)C2CC2)s1 ZINC000830623956 605702601 /nfs/dbraw/zinc/70/26/01/605702601.db2.gz DGYBBRKYRCDEOG-CQSZACIVSA-N -1 0 345.424 3.731 20 0 EHADRM Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000830446801 605708252 /nfs/dbraw/zinc/70/82/52/605708252.db2.gz WHJYVHHWSUEKHL-CYBMUJFWSA-N -1 0 340.379 3.821 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)Nc2cccc(-c3cnco3)c2)c1 ZINC000834266004 605811386 /nfs/dbraw/zinc/81/13/86/605811386.db2.gz IVCZDXNRDWQQLS-UHFFFAOYSA-N -1 0 337.335 3.613 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)Nc2ccc(-c3cnco3)cc2)c1 ZINC000834266028 605811571 /nfs/dbraw/zinc/81/15/71/605811571.db2.gz JZBXCKZNVPDOOY-UHFFFAOYSA-N -1 0 337.335 3.613 20 0 EHADRM O=C([O-])NC1CCC(C(=O)N2CCC[C@H]2/C=C/c2ccccc2)CC1 ZINC000834162761 605821250 /nfs/dbraw/zinc/82/12/50/605821250.db2.gz GWGSMQIPRSIKPN-IWTVYGGOSA-N -1 0 342.439 3.517 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)OCc2nc(C(F)(F)F)cs2)cc1 ZINC000834256017 605851558 /nfs/dbraw/zinc/85/15/58/605851558.db2.gz NAOBYNANEGQCCL-UHFFFAOYSA-N -1 0 346.286 3.609 20 0 EHADRM Cc1ccccc1-n1cnnc1SCc1cc(C(=O)[O-])ccc1F ZINC000833753681 605860837 /nfs/dbraw/zinc/86/08/37/605860837.db2.gz ZULGQSYFRQBOPF-UHFFFAOYSA-N -1 0 343.383 3.705 20 0 EHADRM O=C([O-])NCCCCC(=O)Nc1ccccc1Cc1ccccc1 ZINC000834234391 605886982 /nfs/dbraw/zinc/88/69/82/605886982.db2.gz DDKOIPAHDKWNPU-UHFFFAOYSA-N -1 0 326.396 3.654 20 0 EHADRM CN(C(=O)CC/C=C/c1ccccc1)C1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000833869190 605918728 /nfs/dbraw/zinc/91/87/28/605918728.db2.gz LHKJHMGGTXNDLO-ZFCLQERLSA-N -1 0 342.439 3.612 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)N2CC[C@H]2c2cccc(F)c2)c1 ZINC000834247312 605927652 /nfs/dbraw/zinc/92/76/52/605927652.db2.gz KQJLVJGBKJKHPA-INIZCTEOSA-N -1 0 343.358 3.572 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N2CC[C@H]2Cc2ccccc2)c1 ZINC000834262743 605929722 /nfs/dbraw/zinc/92/97/22/605929722.db2.gz XUWXUCSPRCJFIG-AWEZNQCLSA-N -1 0 343.358 3.765 20 0 EHADRM O=C([O-])N1CCC([C@H](NCc2cscn2)c2ccc(F)cc2)CC1 ZINC000834074873 605983103 /nfs/dbraw/zinc/98/31/03/605983103.db2.gz NZKBCYOENWFIFS-MRXNPFEDSA-N -1 0 349.431 3.503 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2nc3ccccc3n2C2CC2)cc1 ZINC000834257072 606029754 /nfs/dbraw/zinc/02/97/54/606029754.db2.gz XQQNWCQCFNXRRU-UHFFFAOYSA-N -1 0 336.351 3.713 20 0 EHADRM O=C([O-])N1CCC[C@@H](Nc2ccccc2OCc2cscn2)CC1 ZINC000834105830 606047221 /nfs/dbraw/zinc/04/72/21/606047221.db2.gz PUFOFYDPOGYIND-CYBMUJFWSA-N -1 0 347.440 3.667 20 0 EHADRM CN(CCCCc1ccccc1)C(=O)Cc1ccccc1NC(=O)[O-] ZINC000833872497 606047304 /nfs/dbraw/zinc/04/73/04/606047304.db2.gz LJPOZJGVNQJACS-UHFFFAOYSA-N -1 0 340.423 3.800 20 0 EHADRM CC(C)(C)Oc1cc(F)ccc1NC(=O)CC1(NC(=O)[O-])CCC1 ZINC000833790069 606095092 /nfs/dbraw/zinc/09/50/92/606095092.db2.gz IEELFIPDYBGLRP-UHFFFAOYSA-N -1 0 338.379 3.522 20 0 EHADRM Fc1ccc(CSCCCCC(F)(F)F)c(-c2nn[nH]n2)c1 ZINC000826374920 607785170 /nfs/dbraw/zinc/78/51/70/607785170.db2.gz RRGHKSCRZBDMKD-UHFFFAOYSA-N -1 0 334.342 3.972 20 0 EHADRM O=C([O-])C1(NC(=O)c2cccc(Cl)c2Cl)CCCCCC1 ZINC000037367115 939031235 /nfs/dbraw/zinc/03/12/35/939031235.db2.gz TWNXHXWPUDLMTM-UHFFFAOYSA-N -1 0 330.211 3.901 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(Cl)o1)c1ccc2ccccc2c1 ZINC000191492104 939038336 /nfs/dbraw/zinc/03/83/36/939038336.db2.gz MLCYCRUHOBFALF-HNNXBMFYSA-N -1 0 329.739 3.642 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000236884915 939045042 /nfs/dbraw/zinc/04/50/42/939045042.db2.gz MSUGIICKIBWNFG-AUUYWEPGSA-N -1 0 341.407 3.521 20 0 EHADRM Cc1sc(C(=O)NC2(C(=O)[O-])CCCC2)cc1-c1ccc(F)cc1 ZINC000237697869 939048369 /nfs/dbraw/zinc/04/83/69/939048369.db2.gz FPPZBBPJVRXLDR-UHFFFAOYSA-N -1 0 347.411 3.990 20 0 EHADRM CC(C)c1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000684746401 939048585 /nfs/dbraw/zinc/04/85/85/939048585.db2.gz ZNLWASKFAFDWFG-INIZCTEOSA-N -1 0 330.359 3.897 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000237817795 939050975 /nfs/dbraw/zinc/05/09/75/939050975.db2.gz STYHJLAIFFDLDM-OAHLLOKOSA-N -1 0 343.379 3.905 20 0 EHADRM O=C([O-])C1(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)CCCCCC1 ZINC000237945367 939052018 /nfs/dbraw/zinc/05/20/18/939052018.db2.gz ATCQBZSNNQNHCN-UONOGXRCSA-N -1 0 335.831 3.737 20 0 EHADRM O=C([O-])C1(NC(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)CCC1 ZINC000237977799 939052899 /nfs/dbraw/zinc/05/28/99/939052899.db2.gz WBFMCJQLCOSADE-UHFFFAOYSA-N -1 0 349.308 3.508 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N[C@H](C(=O)[O-])c3ccccc3)[nH]c2c1 ZINC000728155887 939055648 /nfs/dbraw/zinc/05/56/48/939055648.db2.gz KATSKXVDMOYLSI-SFHVURJKSA-N -1 0 336.391 3.847 20 0 EHADRM CC[C@@](NC(=O)/C(C)=C/c1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC000776618966 939089101 /nfs/dbraw/zinc/08/91/01/939089101.db2.gz HVEYVCOLDLHILB-AIGDTVQASA-N -1 0 341.382 3.735 20 0 EHADRM Cc1ccsc1[C@H]1C[C@@H]1C(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC000263035719 939094599 /nfs/dbraw/zinc/09/45/99/939094599.db2.gz REWOWNSYVPIALN-JYJNAYRXSA-N -1 0 343.448 3.719 20 0 EHADRM C[C@@](NC(=O)CC1CCC1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000263033055 939094989 /nfs/dbraw/zinc/09/49/89/939094989.db2.gz ORPKYIFXRKULCT-HNNXBMFYSA-N -1 0 330.211 3.600 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N[C@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC000263171566 939106418 /nfs/dbraw/zinc/10/64/18/939106418.db2.gz KRYXDZGBCBDUHJ-SFHVURJKSA-N -1 0 333.359 3.580 20 0 EHADRM CC(C)(CC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1)C(F)(F)F ZINC000263546177 939115050 /nfs/dbraw/zinc/11/50/50/939115050.db2.gz UFODNIGUCONTOB-NSHDSACASA-N -1 0 337.725 3.561 20 0 EHADRM Cc1ccc(CCC(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1Cl ZINC000320390152 939123271 /nfs/dbraw/zinc/12/32/71/939123271.db2.gz XIMWVWXBYMZZSI-KRWDZBQOSA-N -1 0 331.799 3.523 20 0 EHADRM COc1ccc(NC(=O)N[C@H](C(=O)[O-])C2CCCCC2)cc1Cl ZINC000320273961 939123557 /nfs/dbraw/zinc/12/35/57/939123557.db2.gz UPUOMCMEUHOQHP-AWEZNQCLSA-N -1 0 340.807 3.504 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2ccc(F)cc2s1)c1ccccc1 ZINC000321563733 939123986 /nfs/dbraw/zinc/12/39/86/939123986.db2.gz OEMUNPVNWZMXGI-HNNXBMFYSA-N -1 0 329.352 3.596 20 0 EHADRM Cc1cc([C@H](C)NC(=O)N[C@@H](C(=O)[O-])c2ccccc2)c(C)s1 ZINC000321405371 939124048 /nfs/dbraw/zinc/12/40/48/939124048.db2.gz AQZLZMWHSPENOA-XHDPSFHLSA-N -1 0 332.425 3.551 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2c(s1)CCCCCC2)c1ccccc1 ZINC000324108233 939125353 /nfs/dbraw/zinc/12/53/53/939125353.db2.gz MXFVFMDURTZAFE-KRWDZBQOSA-N -1 0 343.448 3.963 20 0 EHADRM C[C@@H](Sc1ccccc1)C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000345837492 939128432 /nfs/dbraw/zinc/12/84/32/939128432.db2.gz KYOHIEDPNYKNQT-IAQYHMDHSA-N -1 0 349.839 3.763 20 0 EHADRM CC[C@@](NC(=O)c1cccn1C1CCCC1)(C(=O)[O-])c1ccccc1 ZINC000431446707 939151689 /nfs/dbraw/zinc/15/16/89/939151689.db2.gz RFLQKQALVMIREZ-FQEVSTJZSA-N -1 0 340.423 3.723 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1cccc(F)c1)c1cccc2ccccc21 ZINC000788323752 939151859 /nfs/dbraw/zinc/15/18/59/939151859.db2.gz YKTWSADMUMKSDH-QGZVFWFLSA-N -1 0 338.338 3.926 20 0 EHADRM COc1ccc([C@@H](NC(=O)c2cc(C)c(C)cc2Cl)C(=O)[O-])cc1 ZINC000431809868 939161497 /nfs/dbraw/zinc/16/14/97/939161497.db2.gz LWOQRJJSNAQDGM-MRXNPFEDSA-N -1 0 347.798 3.521 20 0 EHADRM Cc1cc(F)cc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)c1 ZINC000431855859 939162650 /nfs/dbraw/zinc/16/26/50/939162650.db2.gz CHELSNIKNIUHMB-SFHVURJKSA-N -1 0 337.350 3.843 20 0 EHADRM CCc1oc(C(=O)N[C@](CC)(C(=O)[O-])c2ccc(Cl)cc2)cc1C ZINC000507284912 939231678 /nfs/dbraw/zinc/23/16/78/939231678.db2.gz OYIJKCNEKMFZIB-SFHVURJKSA-N -1 0 349.814 3.924 20 0 EHADRM C[C@H](NC(=O)[C@H](C(=O)[O-])C1CCCC1)c1ccccc1C(F)(F)F ZINC000852946942 939239096 /nfs/dbraw/zinc/23/90/96/939239096.db2.gz GEHMSEMYFKWIAX-IINYFYTJSA-N -1 0 343.345 3.774 20 0 EHADRM Cc1nc2ccc(NC(=O)N[C@@H](C(=O)[O-])C3CCCCC3)cc2s1 ZINC000515897151 939242156 /nfs/dbraw/zinc/24/21/56/939242156.db2.gz YIOUADLJNUOYLX-OAHLLOKOSA-N -1 0 347.440 3.760 20 0 EHADRM C[C@](NC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)(C(=O)[O-])c1ccccc1 ZINC000864115313 939247512 /nfs/dbraw/zinc/24/75/12/939247512.db2.gz RFYFHJOXMGHOFN-CBGDNZLLSA-N -1 0 337.419 3.687 20 0 EHADRM Cc1csc(NC(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)n1 ZINC000517272967 939247968 /nfs/dbraw/zinc/24/79/68/939247968.db2.gz DDFOVSKBAGLWGC-AWEZNQCLSA-N -1 0 341.392 3.552 20 0 EHADRM CCc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)c1 ZINC000518294343 939249382 /nfs/dbraw/zinc/24/93/82/939249382.db2.gz BYADWMIIAFXHLZ-QGZVFWFLSA-N -1 0 326.396 3.813 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)[C@@H](C(=O)[O-])C3CCCC3)cc2)[nH]c1C ZINC000902698161 939287474 /nfs/dbraw/zinc/28/74/74/939287474.db2.gz IONJZTYMAFHXQN-INIZCTEOSA-N -1 0 341.411 3.523 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1ccc(F)c(C2CC2)c1)c1ccsc1 ZINC000560487925 939318515 /nfs/dbraw/zinc/31/85/15/939318515.db2.gz OWMCZQWBFOFGBC-CQSZACIVSA-N -1 0 334.372 3.712 20 0 EHADRM CC[C@@](NC(=O)Cc1cccc(C)c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000561310069 939318927 /nfs/dbraw/zinc/31/89/27/939318927.db2.gz GHFUJBSWJIXYNN-IBGZPJMESA-N -1 0 345.826 3.697 20 0 EHADRM CC(C)[C@@H](CNC(=O)N[C@H](C(=O)[O-])c1ccsc1)c1ccccc1 ZINC000565407391 939348777 /nfs/dbraw/zinc/34/87/77/939348777.db2.gz ZOLFVPWKEVZDBW-CVEARBPZSA-N -1 0 346.452 3.613 20 0 EHADRM O=C([O-])[C@H](NC(=O)NCc1cccs1)c1ccc2ccccc2c1 ZINC000574953645 939730443 /nfs/dbraw/zinc/73/04/43/939730443.db2.gz ILLXMCLKMFDESJ-MRXNPFEDSA-N -1 0 340.404 3.526 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)N[C@H](C(=O)[O-])c2ccc(C)c(C)c2)cc1 ZINC000575737018 939733750 /nfs/dbraw/zinc/73/37/50/939733750.db2.gz ZLBRDRUZIVURBR-YJBOKZPZSA-N -1 0 340.423 3.798 20 0 EHADRM O=C([O-])[C@H](NC(=O)NCCc1ccc2ccccc2c1)c1ccccc1 ZINC000580609930 939772105 /nfs/dbraw/zinc/77/21/05/939772105.db2.gz GHVDMVNDGFNKHQ-LJQANCHMSA-N -1 0 348.402 3.507 20 0 EHADRM CC(C)c1cccc(O[C@H](C)C(=O)N[C@@H](C(=O)[O-])c2ccsc2)c1 ZINC000582015058 939781532 /nfs/dbraw/zinc/78/15/32/939781532.db2.gz ZAIJQMIEQZJLRW-MLGOLLRUSA-N -1 0 347.436 3.581 20 0 EHADRM Cc1cc(F)cc(NC(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)c1 ZINC000582100302 939782476 /nfs/dbraw/zinc/78/24/76/939782476.db2.gz BWPRUZGNTVEARR-MRXNPFEDSA-N -1 0 330.359 3.698 20 0 EHADRM Cc1ccc([C@@H](NC(=O)Nc2ccc(C)c(F)c2)C(=O)[O-])cc1C ZINC000584567859 939799326 /nfs/dbraw/zinc/79/93/26/939799326.db2.gz DOKIIMFICRBXLH-MRXNPFEDSA-N -1 0 330.359 3.698 20 0 EHADRM CCC[C@@H](C(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1C)c1ccccn1 ZINC000630191690 939816168 /nfs/dbraw/zinc/81/61/68/939816168.db2.gz TYDBITINMOQIQA-SJLPKXTDSA-N -1 0 340.423 3.524 20 0 EHADRM CC1(C)CCC[C@@](NC(=O)c2cccc(C(F)F)c2)(C(=O)[O-])C1 ZINC000630246807 939819530 /nfs/dbraw/zinc/81/95/30/939819530.db2.gz AZPAGDPUFACTKQ-KRWDZBQOSA-N -1 0 325.355 3.778 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1ccc2[nH]ccc2c1)C1CCCCCC1 ZINC000653487655 939836345 /nfs/dbraw/zinc/83/63/45/939836345.db2.gz GSJRDOLWPHNNPS-MRXNPFEDSA-N -1 0 329.400 3.713 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)c2ccc(C(F)F)cc2F)(C(=O)[O-])CC1 ZINC000659178292 939849699 /nfs/dbraw/zinc/84/96/99/939849699.db2.gz ANXHBMMGTRTCBT-QLKSEXHHSA-N -1 0 329.318 3.527 20 0 EHADRM CC[C@@](NC(=O)C[C@@H](C)n1cccc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000671667447 939863485 /nfs/dbraw/zinc/86/34/85/939863485.db2.gz GCWWCPWTZXNXGJ-ACJLOTCBSA-N -1 0 348.830 3.599 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000675981036 939865547 /nfs/dbraw/zinc/86/55/47/939865547.db2.gz DULZVSDXLONUEI-YWZLYKJASA-N -1 0 325.408 3.605 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000678988890 939869477 /nfs/dbraw/zinc/86/94/77/939869477.db2.gz OXVIVMAIUHNLND-INIZCTEOSA-N -1 0 345.370 3.559 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1cccc2ccccc21)c1ccccc1F ZINC000683921615 939871288 /nfs/dbraw/zinc/87/12/88/939871288.db2.gz VNTAAQYKLTWUJF-KRWDZBQOSA-N -1 0 338.338 3.926 20 0 EHADRM C[C@@H](NC(=O)NC1(C(=O)[O-])CCCCCC1)c1ccc(F)c(F)c1 ZINC000684712819 939871536 /nfs/dbraw/zinc/87/15/36/939871536.db2.gz MGKSLIIMAHYXSN-LLVKDONJSA-N -1 0 340.370 3.503 20 0 EHADRM Cc1ccc(C)c(SCC(=O)NCC2(C(=O)[O-])CCCCC2)c1 ZINC000321699275 970799387 /nfs/dbraw/zinc/79/93/87/970799387.db2.gz BBKPYROPDLNXJO-UHFFFAOYSA-N -1 0 335.469 3.547 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)c1cccs1 ZINC000322364437 970877872 /nfs/dbraw/zinc/87/78/72/970877872.db2.gz CCBMQOLJKFIMOL-CYPWDGBBSA-N -1 0 333.453 3.597 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000322400877 970882699 /nfs/dbraw/zinc/88/26/99/970882699.db2.gz UYPRGCZFBABNGU-LSDHHAIUSA-N -1 0 330.771 3.716 20 0 EHADRM Cc1c(C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)[O-])sc2cccc(F)c12 ZINC000322573413 970904794 /nfs/dbraw/zinc/90/47/94/970904794.db2.gz HHCGGLNIFRXSSI-BXKDBHETSA-N -1 0 335.400 3.674 20 0 EHADRM CCc1cc(C(=O)Nc2cccc(CCC(=O)[O-])c2)cc(Cl)n1 ZINC000323195386 970974306 /nfs/dbraw/zinc/97/43/06/970974306.db2.gz DNPQPEDPGIWASZ-UHFFFAOYSA-N -1 0 332.787 3.567 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)CSCc1ccc(Cl)cc1 ZINC001601348187 970980705 /nfs/dbraw/zinc/98/07/05/970980705.db2.gz HAOIHGLEMMTTAQ-UHFFFAOYSA-N -1 0 349.839 3.588 20 0 EHADRM CCc1ccc(CNC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)s1 ZINC000323328593 970991308 /nfs/dbraw/zinc/99/13/08/970991308.db2.gz XQGSJFKKNOARSN-UHFFFAOYSA-N -1 0 340.351 3.609 20 0 EHADRM COc1cc(NC(=O)c2csc3ccccc23)ccc1C(=O)[O-] ZINC000323382392 970998051 /nfs/dbraw/zinc/99/80/51/970998051.db2.gz GXBOETZVBVZUFJ-UHFFFAOYSA-N -1 0 327.361 3.860 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2ccc(C(F)(F)F)cn2)s1 ZINC000323437299 971004889 /nfs/dbraw/zinc/00/48/89/971004889.db2.gz RLPZJZOYBDGDGG-UHFFFAOYSA-N -1 0 344.314 3.675 20 0 EHADRM O=C([O-])c1cccc(NC(=O)NCCSCc2ccccc2F)c1 ZINC001601508221 971009057 /nfs/dbraw/zinc/00/90/57/971009057.db2.gz MKLCOKAECUMJIU-UHFFFAOYSA-N -1 0 348.399 3.579 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)CCOc1cc(C)cc(C)c1 ZINC000323874666 971049906 /nfs/dbraw/zinc/04/99/06/971049906.db2.gz ULQNNHOGYNTOMJ-UHFFFAOYSA-N -1 0 333.409 3.779 20 0 EHADRM Cc1cccc(C)c1OCCC(=O)Nc1ccc(C(=O)[O-])cc1C ZINC000323920885 971059011 /nfs/dbraw/zinc/05/90/11/971059011.db2.gz VFXKKLREEIOEHZ-UHFFFAOYSA-N -1 0 327.380 3.718 20 0 EHADRM CCC1CCC(NC(=O)CSCc2cccc(C)c2)(C(=O)[O-])CC1 ZINC000324046051 971077757 /nfs/dbraw/zinc/07/77/57/971077757.db2.gz SQIDFLJPQDRWOA-UHFFFAOYSA-N -1 0 349.496 3.768 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)CCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000324109891 971085173 /nfs/dbraw/zinc/08/51/73/971085173.db2.gz NIFIZKPVIQNZTG-NHYWBVRUSA-N -1 0 327.380 3.981 20 0 EHADRM CC(C)c1ccc(OCC(=O)Nc2ccc(F)cc2C(=O)[O-])cc1 ZINC000324144448 971088379 /nfs/dbraw/zinc/08/83/79/971088379.db2.gz WUMHAYHEFDZJCA-UHFFFAOYSA-N -1 0 331.343 3.665 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(OC(F)F)cc2)c(F)cc1F ZINC000324159126 971090176 /nfs/dbraw/zinc/09/01/76/971090176.db2.gz BBGGIPVTSPKSPV-UHFFFAOYSA-N -1 0 343.232 3.517 20 0 EHADRM CC(C)OCc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000324168174 971091446 /nfs/dbraw/zinc/09/14/46/971091446.db2.gz FGYGAYCOTDBLSI-UHFFFAOYSA-N -1 0 331.343 3.701 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000324184521 971093981 /nfs/dbraw/zinc/09/39/81/971093981.db2.gz IMYAAUQXPRTSFM-UHFFFAOYSA-N -1 0 342.332 3.760 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)Nc2cccc(F)c2Cl)C1 ZINC001601976004 971097901 /nfs/dbraw/zinc/09/79/01/971097901.db2.gz AZTRWKNTQFKNIK-SNVBAGLBSA-N -1 0 328.771 3.588 20 0 EHADRM CCN(Cc1cccs1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000324473296 971123760 /nfs/dbraw/zinc/12/37/60/971123760.db2.gz ASDRZLJGHJYUMP-UHFFFAOYSA-N -1 0 340.351 3.779 20 0 EHADRM Cc1c(Cl)cccc1C(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000324491403 971125753 /nfs/dbraw/zinc/12/57/53/971125753.db2.gz IVTPHSVDEBYRDA-UHFFFAOYSA-N -1 0 329.783 3.545 20 0 EHADRM CCCCc1ccc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000324581255 971134853 /nfs/dbraw/zinc/13/48/53/971134853.db2.gz AVTRJAVEVYOXHU-UHFFFAOYSA-N -1 0 325.408 4.000 20 0 EHADRM C[C@H]1CCc2c(C(=O)NCCc3ccccc3C(=O)[O-])csc2C1 ZINC000324930314 971170085 /nfs/dbraw/zinc/17/00/85/971170085.db2.gz NKRGEZIVBYMWGA-LBPRGKRZSA-N -1 0 343.448 3.544 20 0 EHADRM O=C([O-])c1ccccc1CCNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000325243108 971196910 /nfs/dbraw/zinc/19/69/10/971196910.db2.gz IINHJUGEVNRVHP-DJIMGWMZSA-N -1 0 329.440 3.650 20 0 EHADRM CN(Cc1ccccc1F)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000325529997 971223884 /nfs/dbraw/zinc/22/38/84/971223884.db2.gz RIIRYYIWBXWOQJ-UHFFFAOYSA-N -1 0 330.359 3.507 20 0 EHADRM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000325568897 971226994 /nfs/dbraw/zinc/22/69/94/971226994.db2.gz YLRIGZBUIGSWGW-GFCCVEGCSA-N -1 0 347.798 3.763 20 0 EHADRM Cc1ccc2cccc(NC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)c2n1 ZINC000325735085 971239212 /nfs/dbraw/zinc/23/92/12/971239212.db2.gz BGWFOVWYNPDGRB-CQSZACIVSA-N -1 0 329.400 3.554 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000326191717 971272602 /nfs/dbraw/zinc/27/26/02/971272602.db2.gz AUTUSGSPTSKXHQ-MGPQQGTHSA-N -1 0 349.393 3.895 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)C(C1CCC1)C1CCC1)c1ccccc1 ZINC000326304155 971281019 /nfs/dbraw/zinc/28/10/19/971281019.db2.gz JPQAYDCHUXKEFB-KRWDZBQOSA-N -1 0 329.440 3.925 20 0 EHADRM CCc1ccc(NC(=O)c2ccccc2OC(F)F)c(C(=O)[O-])c1 ZINC000326757019 971324978 /nfs/dbraw/zinc/32/49/78/971324978.db2.gz MTWTXOSVKYMTRE-UHFFFAOYSA-N -1 0 335.306 3.801 20 0 EHADRM COc1cc(NC(=O)CCSc2ccc(F)cc2)ccc1C(=O)[O-] ZINC000326860173 971336863 /nfs/dbraw/zinc/33/68/63/971336863.db2.gz VOYSHYZCNCJJQE-UHFFFAOYSA-N -1 0 349.383 3.653 20 0 EHADRM O=C([O-])[C@H]1Cc2ccccc2N(C(=O)c2cc3ccccc3s2)C1 ZINC000326856999 971337245 /nfs/dbraw/zinc/33/72/45/971337245.db2.gz UJHRBXKISSLEFS-AWEZNQCLSA-N -1 0 337.400 3.805 20 0 EHADRM CCCN(Cc1ccc(C#N)cc1)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000326889343 971341266 /nfs/dbraw/zinc/34/12/66/971341266.db2.gz FJAOIHKDLMIEKS-UHFFFAOYSA-N -1 0 342.439 3.722 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2ccccc2C(F)(F)F)Cc2ccccc21 ZINC000326912458 971344445 /nfs/dbraw/zinc/34/44/45/971344445.db2.gz GIAZPESUWLGBQC-AWEZNQCLSA-N -1 0 349.308 3.530 20 0 EHADRM O=C([O-])c1ccc2c(c1)N(C(=O)Cc1cccc3ccccc31)CC2 ZINC000327036730 971358744 /nfs/dbraw/zinc/35/87/44/971358744.db2.gz JSJLDLSGRLWOKX-UHFFFAOYSA-N -1 0 331.371 3.670 20 0 EHADRM CC(C)OCc1ccc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000327069692 971363730 /nfs/dbraw/zinc/36/37/30/971363730.db2.gz QKCUBTKHDLTYFQ-KRWDZBQOSA-N -1 0 347.455 3.575 20 0 EHADRM Cc1ccc2oc(C(=O)N3CCc4ccc(C(=O)[O-])cc4C3)cc2c1 ZINC000327226162 971378231 /nfs/dbraw/zinc/37/82/31/971378231.db2.gz NDUXUXLMZNNYGQ-UHFFFAOYSA-N -1 0 335.359 3.638 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OCc1ccc2ncccc2c1 ZINC000327257844 971379354 /nfs/dbraw/zinc/37/93/54/971379354.db2.gz CNPXXADDXQMSRV-RMKNXTFCSA-N -1 0 335.359 3.920 20 0 EHADRM O=C([O-])c1ccc2c(c1)C[N@@H+](Cc1cc(F)cc3cccnc31)CC2 ZINC000327260638 971380481 /nfs/dbraw/zinc/38/04/81/971380481.db2.gz VRISZWQCUAGXMR-UHFFFAOYSA-N -1 0 336.366 3.630 20 0 EHADRM COc1cc(OC)cc(Oc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000327291397 971383834 /nfs/dbraw/zinc/38/38/34/971383834.db2.gz MXIDCQAFUVKZSS-GQCTYLIASA-N -1 0 345.307 3.502 20 0 EHADRM CC(C)c1ccc(CNC(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1 ZINC000327308709 971386074 /nfs/dbraw/zinc/38/60/74/971386074.db2.gz NKQPXHLKGBYOHZ-UHFFFAOYSA-N -1 0 342.395 3.595 20 0 EHADRM Cc1cccc(OCCCC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])c1 ZINC000327676959 971417358 /nfs/dbraw/zinc/41/73/58/971417358.db2.gz MEKLRGOKTSVSAW-GOSISDBHSA-N -1 0 347.455 3.694 20 0 EHADRM CCc1ccc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C(=O)[O-])c1 ZINC000327699204 971419661 /nfs/dbraw/zinc/41/96/61/971419661.db2.gz MXGZPXRVSMNWCQ-NSHDSACASA-N -1 0 342.351 3.598 20 0 EHADRM CCCOc1ccc(NC(=O)Nc2ccc(C(=O)[O-])c(OC)c2)cc1 ZINC000327909251 971433386 /nfs/dbraw/zinc/43/33/86/971433386.db2.gz JQBWZPLWJHRQIS-UHFFFAOYSA-N -1 0 344.367 3.826 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000327924629 971434954 /nfs/dbraw/zinc/43/49/54/971434954.db2.gz DSZGDLAQGHFHQP-UHFFFAOYSA-N -1 0 338.407 3.556 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)c1ccccc1C(F)(F)F)C2 ZINC000327970070 971438286 /nfs/dbraw/zinc/43/82/86/971438286.db2.gz NRKYDBXXGGIYNR-UHFFFAOYSA-N -1 0 349.308 3.602 20 0 EHADRM Cn1c(SCc2cccc(C(=O)[O-])c2)nnc1-c1cccs1 ZINC000013272404 948779774 /nfs/dbraw/zinc/77/97/74/948779774.db2.gz LKUQQQVZELJLNL-UHFFFAOYSA-N -1 0 331.422 3.534 20 0 EHADRM CC[C@@H](Cc1ccc(F)cc1)NC(=O)Nc1ccccc1CC(=O)[O-] ZINC001589560892 948806668 /nfs/dbraw/zinc/80/66/68/948806668.db2.gz BJWULEBPYOTPBP-INIZCTEOSA-N -1 0 344.386 3.596 20 0 EHADRM COc1ccc(CNc2cc(C(=O)[O-])c(C)cc2C)c(OC)c1OC ZINC000340695245 971517495 /nfs/dbraw/zinc/51/74/95/971517495.db2.gz CXYLOJSYNGUAIK-UHFFFAOYSA-N -1 0 345.395 3.640 20 0 EHADRM Cc1oc(CNC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)cc1C(=O)[O-] ZINC000345882375 971519950 /nfs/dbraw/zinc/51/99/50/971519950.db2.gz ANGZEOZXHHIJRA-RBUKOAKNSA-N -1 0 349.386 3.859 20 0 EHADRM CC(C)C[C@@H](Nc1ncnc2sc3c(c21)CC[C@@H](C)C3)C(=O)[O-] ZINC000058279146 948940245 /nfs/dbraw/zinc/94/02/45/948940245.db2.gz GATROXNCJNSDQH-ZYHUDNBSSA-N -1 0 333.457 3.727 20 0 EHADRM CCCC[C@@H](NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000347264224 971523008 /nfs/dbraw/zinc/52/30/08/971523008.db2.gz RKOHNYGELVPJSZ-SMDDNHRTSA-N -1 0 345.361 3.959 20 0 EHADRM Cc1cccc(-c2cccc(CNC(=O)c3cc(C(=O)[O-])co3)c2)c1 ZINC000352385586 971528662 /nfs/dbraw/zinc/52/86/62/971528662.db2.gz JTIOXSGEJFLCFF-UHFFFAOYSA-N -1 0 335.359 3.883 20 0 EHADRM O=C([O-])c1coc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)c1 ZINC000352405804 971529045 /nfs/dbraw/zinc/52/90/45/971529045.db2.gz BNSHLJNPHJSIQD-HNNXBMFYSA-N -1 0 333.771 3.902 20 0 EHADRM CCCCc1nc2cc(NC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)ccc2[nH]1 ZINC000353961125 971529665 /nfs/dbraw/zinc/52/96/65/971529665.db2.gz MRSPQWIRQMAPPA-QWHCGFSZSA-N -1 0 343.427 3.735 20 0 EHADRM CC(C)OCc1cc(NC(=O)CC2(CC(=O)[O-])CCCC2)ccc1O ZINC000356950254 971530485 /nfs/dbraw/zinc/53/04/85/971530485.db2.gz PIBFEFDVXJQIIF-UHFFFAOYSA-N -1 0 349.427 3.681 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)Cc2csc3ccccc23)cc1 ZINC000354180557 971530507 /nfs/dbraw/zinc/53/05/07/971530507.db2.gz ROKSCFKDUXOWPP-UHFFFAOYSA-N -1 0 341.388 3.546 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)[C@H](C)c1cccs1)C(=O)[O-] ZINC000362530221 971535918 /nfs/dbraw/zinc/53/59/18/971535918.db2.gz VZUKBPLVAMJRKD-UONOGXRCSA-N -1 0 331.437 3.601 20 0 EHADRM C[C@H](C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-])c1cccs1 ZINC000362530219 971536122 /nfs/dbraw/zinc/53/61/22/971536122.db2.gz VZUKBPLVAMJRKD-KBPBESRZSA-N -1 0 331.437 3.601 20 0 EHADRM Cc1oc(CN(C)C(=O)c2cc3cccc(C)c3o2)cc1C(=O)[O-] ZINC000362752428 971537237 /nfs/dbraw/zinc/53/72/37/971537237.db2.gz NFMRQEGKWZEXEH-UHFFFAOYSA-N -1 0 327.336 3.613 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc3c(cc(C)cc3C)[nH]2)C1 ZINC001589603488 949208440 /nfs/dbraw/zinc/20/84/40/949208440.db2.gz OKOQCIOPPCLAIV-IBGZPJMESA-N -1 0 328.412 3.502 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc([C@H](F)C(F)(F)F)cc2)nc1 ZINC001595221546 949257558 /nfs/dbraw/zinc/25/75/58/949257558.db2.gz PGPQHGJENCUPDN-LBPRGKRZSA-N -1 0 342.248 3.605 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CC[C@@](F)(c3ccccc3)C2)c(F)c1 ZINC001595235407 949387946 /nfs/dbraw/zinc/38/79/46/949387946.db2.gz QKSYBMDONZYQAZ-SFHVURJKSA-N -1 0 346.333 3.627 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)c1 ZINC001595240633 949448768 /nfs/dbraw/zinc/44/87/68/949448768.db2.gz HTWJYTBSHANCRC-UHFFFAOYSA-N -1 0 349.308 3.602 20 0 EHADRM Cc1c(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)sc2cccc(F)c12 ZINC000379082807 971598681 /nfs/dbraw/zinc/59/86/81/971598681.db2.gz YHPGZOGQPZYSLV-MNOVXSKESA-N -1 0 335.400 3.722 20 0 EHADRM CC(C)CCN(CCC(C)C)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC000379129318 971602722 /nfs/dbraw/zinc/60/27/22/971602722.db2.gz OONHGODRDULDPD-CVEARBPZSA-N -1 0 326.481 3.734 20 0 EHADRM CC(C)[C@@H](CNC(=O)Nc1cc(Cl)c(F)c(Cl)c1)C(=O)[O-] ZINC000232045217 949762658 /nfs/dbraw/zinc/76/26/58/949762658.db2.gz PJCXKGUZBBEHQO-MRVPVSSYSA-N -1 0 337.178 3.611 20 0 EHADRM C[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000235198641 949852117 /nfs/dbraw/zinc/85/21/17/949852117.db2.gz KBJRZSAOVVXGOY-DVVUODLYSA-N -1 0 330.211 3.672 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)O[C@H]1CCc2c1cc(Cl)cc2Cl ZINC001595274519 949893815 /nfs/dbraw/zinc/89/38/15/949893815.db2.gz COXMTWDRRDMLNP-NRUUGDAUSA-N -1 0 329.179 3.635 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)O[C@@H]1CCC[C@H]1Cc1cccc(Cl)c1 ZINC001595274647 949897245 /nfs/dbraw/zinc/89/72/45/949897245.db2.gz FAWOJQQPMUOADI-DRPJVOAASA-N -1 0 336.815 3.705 20 0 EHADRM CCc1cccc2c(CC(=O)N3CCCC[C@@H]3CCC(=O)[O-])c[nH]c21 ZINC000236999908 949947479 /nfs/dbraw/zinc/94/74/79/949947479.db2.gz USZKZJBNDKOYMH-MRXNPFEDSA-N -1 0 342.439 3.519 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)CSc1ccc(Cl)cc1 ZINC000237927579 949982174 /nfs/dbraw/zinc/98/21/74/949982174.db2.gz MOGJZZHFZRAQBX-ZDUSSCGKSA-N -1 0 341.860 3.678 20 0 EHADRM CCCOc1ccc(Cl)cc1-c1nc(C2(C(=O)[O-])CCC2)no1 ZINC001589681034 950048578 /nfs/dbraw/zinc/04/85/78/950048578.db2.gz DNDBPDGEMNVOHD-UHFFFAOYSA-N -1 0 336.775 3.685 20 0 EHADRM CCCOc1ccccc1NC(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001589684286 950061034 /nfs/dbraw/zinc/06/10/34/950061034.db2.gz PNCYRZLPCJSFOK-AWEZNQCLSA-N -1 0 336.432 3.734 20 0 EHADRM CCCc1ccccc1NC(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001589691770 950124691 /nfs/dbraw/zinc/12/46/91/950124691.db2.gz XOUBGMLYAHCTNO-MRXNPFEDSA-N -1 0 330.359 3.726 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000262578982 950140324 /nfs/dbraw/zinc/14/03/24/950140324.db2.gz FFQYUBUXAQKKOU-WDEREUQCSA-N -1 0 343.345 3.663 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN1C(=O)CCCc1ccc2ccccc2c1 ZINC000263404540 950443897 /nfs/dbraw/zinc/44/38/97/950443897.db2.gz FVCHPLHUSBFSNX-HXUWFJFHSA-N -1 0 325.408 3.628 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000263538042 950506674 /nfs/dbraw/zinc/50/66/74/950506674.db2.gz PLNYBLDJOIUDLA-KGLIPLIRSA-N -1 0 337.847 3.622 20 0 EHADRM Cc1c(C(=O)[O-])cc(CNc2cccc(C)c2Br)n1C ZINC000380283161 971688075 /nfs/dbraw/zinc/68/80/75/971688075.db2.gz PVKBFLLYUFICFL-UHFFFAOYSA-N -1 0 337.217 3.715 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1cc(Cc2ccccc2)ccc1O ZINC001602853214 971697825 /nfs/dbraw/zinc/69/78/25/971697825.db2.gz NSOPBHNFNHKVJA-QGZVFWFLSA-N -1 0 341.407 3.668 20 0 EHADRM CCCc1sc(C(=O)NC[C@H](CC(C)C)C(=O)[O-])cc1CC ZINC000317248848 950903279 /nfs/dbraw/zinc/90/32/79/950903279.db2.gz PJWODWVGETUVJS-ZDUSSCGKSA-N -1 0 325.474 3.740 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1nc(C(C)C)ncc1Cl ZINC000320227662 950978969 /nfs/dbraw/zinc/97/89/69/950978969.db2.gz HYIOKXXPEIRVJB-UHFFFAOYSA-N -1 0 333.775 3.512 20 0 EHADRM Cc1cc([C@H](C)NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)c(C)s1 ZINC000320513515 950993364 /nfs/dbraw/zinc/99/33/64/950993364.db2.gz LAUSAHSJAQTZAK-GXTWGEPZSA-N -1 0 338.473 3.712 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)c2cc3c(s2)CCCCCC3)CC1 ZINC000320732858 951000551 /nfs/dbraw/zinc/00/05/51/951000551.db2.gz NXLRAMIHILLXFJ-UHFFFAOYSA-N -1 0 335.469 3.734 20 0 EHADRM C[C@@H]1CCCN(C(=O)c2ccc(SC(F)(F)F)cc2)[C@@H]1C(=O)[O-] ZINC000324393979 951068239 /nfs/dbraw/zinc/06/82/39/951068239.db2.gz NBSKZFCSOAUJFW-SKDRFNHKSA-N -1 0 347.358 3.624 20 0 EHADRM CC(C)C[C@H](CNC(=O)Cc1ccc(C(F)(F)F)cc1)CC(=O)[O-] ZINC000324947253 951077856 /nfs/dbraw/zinc/07/78/56/951077856.db2.gz DDZGXNOPDHAHKP-ZDUSSCGKSA-N -1 0 345.361 3.501 20 0 EHADRM C[C@](NC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)(C(=O)[O-])c1ccccc1 ZINC000325289672 951082514 /nfs/dbraw/zinc/08/25/14/951082514.db2.gz WONCLYKFLMYGTH-UIVXKWKOSA-N -1 0 329.440 3.709 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)CSc1ccc2c(c1)CCC2)C(=O)[O-] ZINC001602861101 971718108 /nfs/dbraw/zinc/71/81/08/971718108.db2.gz IPOACOFWRIODDN-INIZCTEOSA-N -1 0 349.496 3.663 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1cc(Cl)ccc1Cl ZINC000353848027 951136272 /nfs/dbraw/zinc/13/62/72/951136272.db2.gz WNQAQTWQRRXPKI-QMMMGPOBSA-N -1 0 339.178 3.578 20 0 EHADRM O=C([O-])CC[C@@H]1C[C@H](C(=O)Nc2ccc(-c3ccccc3)cc2)CO1 ZINC001595005828 951196701 /nfs/dbraw/zinc/19/67/01/951196701.db2.gz QJXUUTWZAMFTQQ-FUHWJXTLSA-N -1 0 339.391 3.562 20 0 EHADRM CC(C)(C)CC[C@H](Nc1ncc(Br)cc1F)C(=O)[O-] ZINC001602861861 971725944 /nfs/dbraw/zinc/72/59/44/971725944.db2.gz QBGFMHSFRGWELJ-JTQLQIEISA-N -1 0 333.201 3.675 20 0 EHADRM O=C([O-])CC[C@H]1C[C@H](C(=O)Oc2ccc(Cl)c3ccccc23)CO1 ZINC001595007869 951225741 /nfs/dbraw/zinc/22/57/41/951225741.db2.gz ZEPTXFCRLLBMCE-RYUDHWBXSA-N -1 0 348.782 3.669 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000386754207 951302418 /nfs/dbraw/zinc/30/24/18/951302418.db2.gz CSDVWTWWISDDJH-JTQLQIEISA-N -1 0 328.771 3.588 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2cc(F)ccc2Cl)C1 ZINC000389236384 951347770 /nfs/dbraw/zinc/34/77/70/951347770.db2.gz CCRYSDIWYANLLR-HNNXBMFYSA-N -1 0 328.771 3.588 20 0 EHADRM O=C([O-])CCCCC(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001595031967 951377383 /nfs/dbraw/zinc/37/73/83/951377383.db2.gz MSCSKKNUGSYMCB-ZDUSSCGKSA-N -1 0 343.345 3.666 20 0 EHADRM O=C([O-])CCCCC(=O)Oc1ccc(OCC2CC2)c(Cl)c1 ZINC001595034507 951389098 /nfs/dbraw/zinc/38/90/98/951389098.db2.gz ABHYAWZPTCFTEL-UHFFFAOYSA-N -1 0 326.776 3.679 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000391270341 951394299 /nfs/dbraw/zinc/39/42/99/951394299.db2.gz LOJPGOVCRPXQDH-UHFFFAOYSA-N -1 0 332.322 3.718 20 0 EHADRM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000392274021 951416507 /nfs/dbraw/zinc/41/65/07/951416507.db2.gz DMCLVRFCSHKDTJ-GFCCVEGCSA-N -1 0 344.333 3.508 20 0 EHADRM O=C([O-])CCNC(=O)N[C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC001595059119 951509964 /nfs/dbraw/zinc/50/99/64/951509964.db2.gz TZOUREOBQROTMT-CABCVRRESA-N -1 0 338.835 3.530 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000397110300 951526656 /nfs/dbraw/zinc/52/66/56/951526656.db2.gz REHQHAODTWMRBA-IUCAKERBSA-N -1 0 348.296 3.562 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)Cc2ccc(Cl)c(F)c2)c1 ZINC001595065349 951539952 /nfs/dbraw/zinc/53/99/52/951539952.db2.gz JDNRJJMAAQRRTM-UHFFFAOYSA-N -1 0 335.762 3.678 20 0 EHADRM COc1ccc([N+](=O)[O-])c(OCc2cccc(C(=O)[O-])c2Cl)c1 ZINC000381550612 971764600 /nfs/dbraw/zinc/76/46/00/971764600.db2.gz UNKDHZJOEUWMNH-UHFFFAOYSA-N -1 0 337.715 3.534 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1ccc(Oc2ccccc2F)cc1 ZINC001595181855 952253392 /nfs/dbraw/zinc/25/33/92/952253392.db2.gz DNDPXZCLKPOWMU-ZIAGYGMSSA-N -1 0 329.327 3.667 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cn1 ZINC001595182688 952255084 /nfs/dbraw/zinc/25/50/84/952255084.db2.gz ZAFSEUUMNQKESI-ZIAGYGMSSA-N -1 0 346.770 3.577 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)[C@H]2CCOc3ccccc32)c1Cl ZINC001595206380 952328997 /nfs/dbraw/zinc/32/89/97/952328997.db2.gz IWTNOKMDLVRQAA-JTQLQIEISA-N -1 0 349.745 3.682 20 0 EHADRM O=C([O-])c1c(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)nc2ccccn21 ZINC001595207055 952335953 /nfs/dbraw/zinc/33/59/53/952335953.db2.gz ROHMWGCCFWKPRX-MELADBBJSA-N -1 0 341.411 3.578 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2nc3ccccc3cc2Cl)ccc1O ZINC001595209552 952358716 /nfs/dbraw/zinc/35/87/16/952358716.db2.gz NTQDHRPLJXWVGJ-UHFFFAOYSA-N -1 0 342.738 3.544 20 0 EHADRM CC[C@@H](NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)C1CCCC1 ZINC000382805215 971833681 /nfs/dbraw/zinc/83/36/81/971833681.db2.gz BDTUGUFTPJRLQD-CYBMUJFWSA-N -1 0 326.343 3.753 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)N(Cc2ccccc2)C2CC2)cc1F ZINC000383668683 971886537 /nfs/dbraw/zinc/88/65/37/971886537.db2.gz SMCIOURJYGNXGR-UHFFFAOYSA-N -1 0 346.333 3.860 20 0 EHADRM C[C@H](OC(=O)CCCCC(=O)[O-])c1cccc(Br)c1 ZINC001593516968 953377437 /nfs/dbraw/zinc/37/74/37/953377437.db2.gz VVFIWYHRJPHZGF-JTQLQIEISA-N -1 0 329.190 3.698 20 0 EHADRM C[C@@H](NC(=O)N(C)CCCC(=O)[O-])c1cccc(Cl)c1Cl ZINC000414621984 953400907 /nfs/dbraw/zinc/40/09/07/953400907.db2.gz GRUJGZHHEHUURC-SECBINFHSA-N -1 0 333.215 3.561 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccccc1Oc1cccc(F)c1)C(=O)[O-] ZINC001593604621 953423751 /nfs/dbraw/zinc/42/37/51/953423751.db2.gz RIOLZAFDKKBNSI-CYBMUJFWSA-N -1 0 332.331 3.603 20 0 EHADRM Cc1cc(NC(=O)NCCC(C)(C)C(=O)[O-])ccc1C(F)(F)F ZINC000424384466 953453451 /nfs/dbraw/zinc/45/34/51/953453451.db2.gz RSDYEKLCVRDDOP-UHFFFAOYSA-N -1 0 332.322 3.636 20 0 EHADRM O=C([O-])c1cc(NC(=O)/C=C\c2ccccc2)ccc1Br ZINC000384549882 971933316 /nfs/dbraw/zinc/93/33/16/971933316.db2.gz URTOSEUXFLGHMA-TWGQIWQCSA-N -1 0 346.180 3.799 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N1CCCCC[C@@H]1c1ccco1)C(=O)[O-] ZINC000424426549 953482765 /nfs/dbraw/zinc/48/27/65/953482765.db2.gz TUCQISRCBJIULW-LSDHHAIUSA-N -1 0 336.432 3.653 20 0 EHADRM CSc1ccc([C@@H](C)NC(=O)NC[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000424445952 953488803 /nfs/dbraw/zinc/48/88/03/953488803.db2.gz FQAFVEVFKWTYNC-OCCSQVGLSA-N -1 0 338.473 3.516 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1 ZINC000427737277 953497021 /nfs/dbraw/zinc/49/70/21/953497021.db2.gz RNXWKNUFHHGWBD-YVEFUNNKSA-N -1 0 347.411 3.639 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)C[C@H]1C(=O)[O-] ZINC000515060816 953539114 /nfs/dbraw/zinc/53/91/14/953539114.db2.gz OPEXNVNZJQHRTG-SMDDNHRTSA-N -1 0 347.411 3.737 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)N[C@H](C(=O)[O-])C(C)C)cc2s1 ZINC000515896951 953540434 /nfs/dbraw/zinc/54/04/34/953540434.db2.gz HPCXYVGUQFCBTJ-ZDUSSCGKSA-N -1 0 335.429 3.650 20 0 EHADRM COc1ccccc1-c1cccc(NC(=O)N[C@H](C(=O)[O-])C(C)C)c1 ZINC000517213688 953544484 /nfs/dbraw/zinc/54/44/84/953544484.db2.gz NKWKKHFVBDCHPC-KRWDZBQOSA-N -1 0 342.395 3.593 20 0 EHADRM C[C@@H]1CC(C)(C)N(C(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)c2ccccc21 ZINC001589284523 953545749 /nfs/dbraw/zinc/54/57/49/953545749.db2.gz IVMXDZRVXMKWDP-RBSFLKMASA-N -1 0 345.439 3.575 20 0 EHADRM C[C@H]1C[C@@H](CCNC(=O)c2cccc(OCC(=O)[O-])c2)CC(C)(C)C1 ZINC001589285642 953565751 /nfs/dbraw/zinc/56/57/51/953565751.db2.gz BKOBUZBSHBLNOB-LSDHHAIUSA-N -1 0 347.455 3.732 20 0 EHADRM CCc1cc(Cl)cnc1NC(=O)N[C@H](C(=O)[O-])c1cccc(C)c1 ZINC001593632566 953585066 /nfs/dbraw/zinc/58/50/66/953585066.db2.gz BJNQKASABXTLNW-AWEZNQCLSA-N -1 0 347.802 3.553 20 0 EHADRM CC[C@H](NC(=O)N1CCC[C@H](CC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000563389997 953599795 /nfs/dbraw/zinc/59/97/95/953599795.db2.gz VLHKBTROGWSNQV-DOMZBBRYSA-N -1 0 338.835 3.687 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000564086031 953602323 /nfs/dbraw/zinc/60/23/23/953602323.db2.gz WAZSEPZECYGLJY-KRWDZBQOSA-N -1 0 327.380 3.561 20 0 EHADRM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)o1 ZINC001593636669 953612374 /nfs/dbraw/zinc/61/23/74/953612374.db2.gz HSTYLSNZRKAUIR-AYDFFVQHSA-N -1 0 333.428 3.643 20 0 EHADRM CCc1ccc(CN(CC(C)C)C(=O)[C@@]2(C(=O)[O-])CC2(C)C)cc1 ZINC001593637940 953624166 /nfs/dbraw/zinc/62/41/66/953624166.db2.gz VMYDTRWQUTUVFG-HXUWFJFHSA-N -1 0 331.456 3.735 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001589295032 953638521 /nfs/dbraw/zinc/63/85/21/953638521.db2.gz NVHSHLTZKGSNRW-DVOMOZLQSA-N -1 0 339.395 3.578 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CCC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])o1 ZINC001589295245 953640479 /nfs/dbraw/zinc/64/04/79/953640479.db2.gz FFAZCXLRPGNLBQ-YUELXQCFSA-N -1 0 335.444 3.731 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)Nc1ccc(CCC(F)(F)F)cc1)C1CC1 ZINC000570658303 953657959 /nfs/dbraw/zinc/65/79/59/953657959.db2.gz ZJPBEDZCMYJJLD-JTQLQIEISA-N -1 0 344.333 3.651 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)c2ccc(F)cc2F)c1Cl ZINC001594804213 953769086 /nfs/dbraw/zinc/76/90/86/953769086.db2.gz RUHJJBORZMHHEH-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)Nc2ccc3cc[nH]c3c2)c2ccccc21 ZINC001594806322 953781807 /nfs/dbraw/zinc/78/18/07/953781807.db2.gz GAFUSABNZOUYLY-NVXWUHKLSA-N -1 0 335.363 3.603 20 0 EHADRM CCC(CC)(CNC(=O)c1cc2ccc(OC)cc2s1)C(=O)[O-] ZINC000630148161 953840770 /nfs/dbraw/zinc/84/07/70/953840770.db2.gz LTYFTULQSQFQJD-UHFFFAOYSA-N -1 0 335.425 3.531 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(-c3ccco3)cc2F)CC[C@H]1C(=O)[O-] ZINC000630568221 953866173 /nfs/dbraw/zinc/86/61/73/953866173.db2.gz ORGFITDBWMMKJD-WCQYABFASA-N -1 0 346.358 3.660 20 0 EHADRM O=C([O-])c1cncc(NC(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC001594816917 953870962 /nfs/dbraw/zinc/87/09/62/953870962.db2.gz RCZLNSUEKYDXRQ-HNNXBMFYSA-N -1 0 345.786 3.706 20 0 EHADRM O=C([O-])c1c(NC(=O)c2sccc2C2CC2)sc2c1CCOC2 ZINC001594821938 953907166 /nfs/dbraw/zinc/90/71/66/953907166.db2.gz JSEJYCXZKLERQM-UHFFFAOYSA-N -1 0 349.433 3.710 20 0 EHADRM C[C@@H]1CCCN(C(=O)Nc2cncc(C(=O)[O-])c2)c2ccccc21 ZINC001589326183 953913890 /nfs/dbraw/zinc/91/38/90/953913890.db2.gz ZMGWXSZBURCWQA-GFCCVEGCSA-N -1 0 325.368 3.716 20 0 EHADRM CN(C(=O)CCCC(=O)[O-])[C@H](c1ccccc1)c1ccc(F)cc1 ZINC001593676336 953930845 /nfs/dbraw/zinc/93/08/45/953930845.db2.gz PWOMMNMCVHSYHS-LJQANCHMSA-N -1 0 329.371 3.628 20 0 EHADRM CN(C(=O)Nc1cncc(C(=O)[O-])c1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001593680985 953952321 /nfs/dbraw/zinc/95/23/21/953952321.db2.gz GFYRZBTXNPVOHZ-SJORKVTESA-N -1 0 339.395 3.580 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)N2CCC(C)(C(=O)[O-])CC2)cc1 ZINC000647763348 953979044 /nfs/dbraw/zinc/97/90/44/953979044.db2.gz ZVOWNUROIXFGAC-HNNXBMFYSA-N -1 0 331.456 3.702 20 0 EHADRM CC[C@H](CNC(=O)c1cc(C)c(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC000649263943 953992549 /nfs/dbraw/zinc/99/25/49/953992549.db2.gz NVKZSYMSBSRZHS-LLVKDONJSA-N -1 0 335.400 3.703 20 0 EHADRM CCc1cccc(C)c1NC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000649536710 953998261 /nfs/dbraw/zinc/99/82/61/953998261.db2.gz CUFCNBMHBMKGFA-FQEVSTJZSA-N -1 0 340.423 3.721 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1ncc(-c2ccccc2)s1)C1CCCC1 ZINC001594838613 954053403 /nfs/dbraw/zinc/05/34/03/954053403.db2.gz UMMYVOVKSZZRCQ-AWEZNQCLSA-N -1 0 330.409 3.640 20 0 EHADRM Cc1[nH]c2c(cc(C)cc2CNC(=O)[C@]2(C(=O)[O-])CC=CCC2)c1C ZINC000653302411 954111742 /nfs/dbraw/zinc/11/17/42/954111742.db2.gz QSNGHLMCXJDPRC-FQEVSTJZSA-N -1 0 340.423 3.520 20 0 EHADRM CC(C)[C@@H](CNC(=O)CCCOc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001602977551 971988978 /nfs/dbraw/zinc/98/89/78/971988978.db2.gz DBVBYVCDIGVQDW-QGZVFWFLSA-N -1 0 349.471 3.616 20 0 EHADRM C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC3(Cl)Cl)c2C(=O)[O-])C1 ZINC001589362009 954159202 /nfs/dbraw/zinc/15/92/02/954159202.db2.gz MAKGFQJUAWZSDU-HTRCEHHLSA-N -1 0 348.251 3.703 20 0 EHADRM O=C([O-])C1(C(=O)N2CCS[C@@H](c3ccccc3)C2)CCCCCC1 ZINC001594848747 954162337 /nfs/dbraw/zinc/16/23/37/954162337.db2.gz AAPDWAXCCRNJBO-MRXNPFEDSA-N -1 0 347.480 3.728 20 0 EHADRM C[C@]1(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)CCc2ccccc2C1 ZINC000653332883 954164085 /nfs/dbraw/zinc/16/40/85/954164085.db2.gz JOTCXKSQXSCVRZ-DXIQSLLYSA-N -1 0 349.430 3.611 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000653340730 954174491 /nfs/dbraw/zinc/17/44/91/954174491.db2.gz PIZYGURTXKWBBD-MFKMUULPSA-N -1 0 331.334 3.521 20 0 EHADRM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001589364352 954177896 /nfs/dbraw/zinc/17/78/96/954177896.db2.gz RFXJUKBXBRGCCL-SPYBWZPUSA-N -1 0 344.455 3.596 20 0 EHADRM O=C([O-])C1(C(=O)N2CCCC3(CCCCC3)CC2)CCSCC1 ZINC001594850622 954182478 /nfs/dbraw/zinc/18/24/78/954182478.db2.gz LSUKKPCSAZQKLW-UHFFFAOYSA-N -1 0 339.501 3.547 20 0 EHADRM Cc1nc(NC(=O)NC[C@H](C(=O)[O-])C(C)C)ccc1-c1ccccc1 ZINC000653546043 954193456 /nfs/dbraw/zinc/19/34/56/954193456.db2.gz WCRAVPOEOHDLTL-INIZCTEOSA-N -1 0 341.411 3.535 20 0 EHADRM Cc1nc(NC(=O)NC[C@@H](C(=O)[O-])C(C)C)ccc1-c1ccccc1 ZINC000653546044 954194243 /nfs/dbraw/zinc/19/42/43/954194243.db2.gz WCRAVPOEOHDLTL-MRXNPFEDSA-N -1 0 341.411 3.535 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)CCCc2ccc(F)cc2)c2ccccc21 ZINC000655557179 954202534 /nfs/dbraw/zinc/20/25/34/954202534.db2.gz VTVSDEHQPZPQBF-MSOLQXFVSA-N -1 0 341.382 3.578 20 0 EHADRM CC(C)[C@H](CNC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000655565657 954203854 /nfs/dbraw/zinc/20/38/54/954203854.db2.gz BNAGUJRMEUHHAX-KOLCDFICSA-N -1 0 332.227 3.570 20 0 EHADRM O=C([O-])C1(C(=O)N[C@H]2CCCOc3ccc(F)cc32)CCCCCC1 ZINC001594854680 954215642 /nfs/dbraw/zinc/21/56/42/954215642.db2.gz RFZYSJXXXNKHTC-HNNXBMFYSA-N -1 0 349.402 3.581 20 0 EHADRM O=C([O-])C1(C(=O)N[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC=CC1 ZINC001594854833 954219097 /nfs/dbraw/zinc/21/90/97/954219097.db2.gz UTPZTRZUJPRGNT-HIFRSBDPSA-N -1 0 333.815 3.513 20 0 EHADRM CC(C)[C@H](CNC(=O)N(C1CC1)[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC000655893146 954274773 /nfs/dbraw/zinc/27/47/73/954274773.db2.gz JDIVDQUWILTGSA-ROUUACIJSA-N -1 0 344.455 3.595 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)NC[C@@H](C(=O)[O-])C(C)C)c1C ZINC000655894147 954275278 /nfs/dbraw/zinc/27/52/78/954275278.db2.gz WLYWRZPFWWKBJK-SJORKVTESA-N -1 0 332.444 3.507 20 0 EHADRM CC[C@H](C)[C@H]1CCCCN1C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655905641 954287817 /nfs/dbraw/zinc/28/78/17/954287817.db2.gz YWCZRDDMJZNAHX-ZVDSWSACSA-N -1 0 338.492 3.732 20 0 EHADRM Cc1c(NCC(C)(C)C)cccc1C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000656231350 954299583 /nfs/dbraw/zinc/29/95/83/954299583.db2.gz IABCRDUFWCEPLD-OAHLLOKOSA-N -1 0 334.460 3.540 20 0 EHADRM Cc1cc2cc[nH]c2cc1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000656604588 954304961 /nfs/dbraw/zinc/30/49/61/954304961.db2.gz ZBCAUBCBHLNWFC-UHFFFAOYSA-N -1 0 329.400 3.585 20 0 EHADRM CC(C)[C@H](CNC(=O)N[C@@H]1CCC[C@H](C(C)(C)C)CC1)C(=O)[O-] ZINC001602983409 972005987 /nfs/dbraw/zinc/00/59/87/972005987.db2.gz PWNXAUNJUXAFDE-ZNMIVQPWSA-N -1 0 326.481 3.637 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc3cc(Cl)cnc3n2)CCCCCC1 ZINC001594870423 954347770 /nfs/dbraw/zinc/34/77/70/954347770.db2.gz HJJWSAPXXGZKSB-UHFFFAOYSA-N -1 0 347.802 3.647 20 0 EHADRM O=C([O-])C1(CCSc2nnc(CCc3ccccc3)o2)CCC1 ZINC001594879656 954411820 /nfs/dbraw/zinc/41/18/20/954411820.db2.gz ODZQVHXJWQAMJN-UHFFFAOYSA-N -1 0 332.425 3.592 20 0 EHADRM Cc1nc(-c2ccccc2)sc1NC(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC000663045166 954417061 /nfs/dbraw/zinc/41/70/61/954417061.db2.gz GHCJKQICTYWHNM-QGZVFWFLSA-N -1 0 330.409 3.558 20 0 EHADRM CC1CCN(c2cccc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c2)CC1 ZINC000663100705 954485355 /nfs/dbraw/zinc/48/53/55/954485355.db2.gz FGCDMRHDLRSAJC-INIZCTEOSA-N -1 0 332.444 3.608 20 0 EHADRM C[C@H]1CSc2ccccc2N(C(=O)Cc2ccccc2C(=O)[O-])C1 ZINC001589408577 954491379 /nfs/dbraw/zinc/49/13/79/954491379.db2.gz JVVKMIRRKIABBC-CYBMUJFWSA-N -1 0 341.432 3.702 20 0 EHADRM C[C@@H]1Cc2c(C(=O)[O-])c(NC(=O)C3(CCF)CC3)sc2[C@H](C)O1 ZINC001589410337 954509701 /nfs/dbraw/zinc/50/97/01/954509701.db2.gz BZJJGZZXLGJNOQ-BDAKNGLRSA-N -1 0 341.404 3.547 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)C2CCC(C3CC3)CC2)c2ccccc21 ZINC000663121262 954516000 /nfs/dbraw/zinc/51/60/00/954516000.db2.gz XBFQYBAEYYQOPC-PCHAPFSGSA-N -1 0 327.424 3.632 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000663121293 954516248 /nfs/dbraw/zinc/51/62/48/954516248.db2.gz XODOPJPEHWASEV-WJFTUGDTSA-N -1 0 335.403 3.528 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)c1 ZINC000668323381 954568605 /nfs/dbraw/zinc/56/86/05/954568605.db2.gz WXEISEJMCOKEJU-WJYNOGRTSA-N -1 0 327.355 3.508 20 0 EHADRM COc1ccc(SCCC(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000681680674 954598671 /nfs/dbraw/zinc/59/86/71/954598671.db2.gz SIUKMNGMALEOQQ-UHFFFAOYSA-N -1 0 331.393 3.514 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)c1cccc(OCc2cccnc2)c1 ZINC000681682551 954599879 /nfs/dbraw/zinc/59/98/79/954599879.db2.gz XDNOXGWSHDXGBL-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM CCC(=O)Nc1ccc(C)c(NC(=O)C2(C(=O)[O-])CCCCCC2)c1 ZINC001589424860 954607194 /nfs/dbraw/zinc/60/71/94/954607194.db2.gz AIHQRMKYDKSCOX-UHFFFAOYSA-N -1 0 346.427 3.707 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1cccc(OCc2cccc(C)c2)c1 ZINC001589438448 954700521 /nfs/dbraw/zinc/70/05/21/954700521.db2.gz KJWUTOVCRJCTBK-SFHVURJKSA-N -1 0 341.407 3.509 20 0 EHADRM O=C([O-])c1cccc2c1OCCN2C(=O)c1ccc2sccc2c1 ZINC000386362800 972048593 /nfs/dbraw/zinc/04/85/93/972048593.db2.gz WPHPJCNGRKRPSQ-UHFFFAOYSA-N -1 0 339.372 3.639 20 0 EHADRM O=C([O-])[C@@H]1CCN(CCCc2ccc3c(c2)CCO3)c2ccccc21 ZINC001594933612 954839323 /nfs/dbraw/zinc/83/93/23/954839323.db2.gz YDLULWQXWHNBCX-GOSISDBHSA-N -1 0 337.419 3.633 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H](F)CC2CCCCC2)Cc2ccccc21 ZINC001594941600 954901223 /nfs/dbraw/zinc/90/12/23/954901223.db2.gz WCEQPNICHHXFKC-SJORKVTESA-N -1 0 333.403 3.506 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)NC[C@H](C)Oc1ccc(C(C)C)cc1 ZINC001589474633 954952725 /nfs/dbraw/zinc/95/27/25/954952725.db2.gz XMBBPTMBGCKKFQ-AWEZNQCLSA-N -1 0 335.444 3.585 20 0 EHADRM O=C([O-])c1c(NC(=O)c2sccc2F)sc2c1CCCC2 ZINC000386513388 972061190 /nfs/dbraw/zinc/06/11/90/972061190.db2.gz CUAOKVOJDHHNHP-UHFFFAOYSA-N -1 0 325.386 3.778 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1cc(C(F)F)ccc1F ZINC001594962935 955027148 /nfs/dbraw/zinc/02/71/48/955027148.db2.gz KUJDTYIKJANKCQ-HNNXBMFYSA-N -1 0 349.308 3.588 20 0 EHADRM CC[C@H](CNC(=O)C1(C(=O)[O-])CCCCCC1)Oc1cccc(C)c1 ZINC001589519146 955084879 /nfs/dbraw/zinc/08/48/79/955084879.db2.gz WFUPFSUNNATXGP-MRXNPFEDSA-N -1 0 347.455 3.694 20 0 EHADRM CC(C)C[C@@H](CNC(=O)NCC1(C)CCC(C)(C)CC1)C(=O)[O-] ZINC001603012531 972067887 /nfs/dbraw/zinc/06/78/87/972067887.db2.gz UBUSBWRDFZPEMT-AWEZNQCLSA-N -1 0 326.481 3.639 20 0 EHADRM C/C(=C\C(=O)N([C@H](C)C(=O)[O-])C1CC1)c1cccc(C(F)(F)F)c1 ZINC000766971561 955315392 /nfs/dbraw/zinc/31/53/92/955315392.db2.gz RGCYAWKZDFUMEK-RJCSOLBVSA-N -1 0 341.329 3.573 20 0 EHADRM C[C@@H]1CN(C(=O)/C=C\c2ccc(C(C)(C)C)cc2)CC[C@H]1C(=O)[O-] ZINC000823340611 955526819 /nfs/dbraw/zinc/52/68/19/955526819.db2.gz JXCDJQXVKMXDCY-HAZJURQKSA-N -1 0 329.440 3.567 20 0 EHADRM O=C([O-])CCCC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000843329644 955634773 /nfs/dbraw/zinc/63/47/73/955634773.db2.gz KOBAIVXDPUXDBS-UHFFFAOYSA-N -1 0 343.345 3.666 20 0 EHADRM O=C([O-])CCCC(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000844249389 955665761 /nfs/dbraw/zinc/66/57/61/955665761.db2.gz ODGCTJCHUCYMDF-UHFFFAOYSA-N -1 0 327.380 3.597 20 0 EHADRM CC1CCN(c2ccc(NC(=O)[C@@]3(C(=O)[O-])CC=CCC3)cc2)CC1 ZINC000846706279 955711745 /nfs/dbraw/zinc/71/17/45/955711745.db2.gz LCRNTTGIGLDUQC-HXUWFJFHSA-N -1 0 342.439 3.673 20 0 EHADRM CC(C)[C@@H](CNC(=O)Nc1ccc(N2CCCCCC2)cc1)C(=O)[O-] ZINC000846799654 955734034 /nfs/dbraw/zinc/73/40/34/955734034.db2.gz VMSFSCLNCCGLIP-QGZVFWFLSA-N -1 0 347.459 3.545 20 0 EHADRM C[C@H](NC(=O)/C(F)=C/C1CCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848452245 955739310 /nfs/dbraw/zinc/73/93/10/955739310.db2.gz PFLUNGUBZNJYGT-KNXQAPOSSA-N -1 0 325.424 3.672 20 0 EHADRM C[C@H](NC(=O)C1(C(=O)[O-])CCCCC1)c1ncc(-c2ccccc2)o1 ZINC001589090609 955934150 /nfs/dbraw/zinc/93/41/50/955934150.db2.gz VECHRQQWQXLHGR-ZDUSSCGKSA-N -1 0 342.395 3.554 20 0 EHADRM CC1(c2ccccc2)CCN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)CC1 ZINC000864134305 955957490 /nfs/dbraw/zinc/95/74/90/955957490.db2.gz UKQKSUZLNPMFFM-CSKARUKUSA-N -1 0 339.391 3.571 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(C(C)(C)C)nc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589108207 956040589 /nfs/dbraw/zinc/04/05/89/956040589.db2.gz IELXXEKBUYUOGX-FPMFFAJLSA-N -1 0 347.459 3.636 20 0 EHADRM CO[C@H](C(=O)[O-])C(=O)O[C@@H](C)c1ccc(Sc2ccccc2)cc1 ZINC001593919564 956062203 /nfs/dbraw/zinc/06/22/03/956062203.db2.gz PECWYQJIAHKYBK-BLLLJJGKSA-N -1 0 346.404 3.542 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccc(F)c2ccccc21 ZINC001589117524 956104330 /nfs/dbraw/zinc/10/43/30/956104330.db2.gz JXTYKPDSKFBZGR-NSHDSACASA-N -1 0 338.338 3.563 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)N1CC2(CCC2)c2ccccc21 ZINC000874412222 956191531 /nfs/dbraw/zinc/19/15/31/956191531.db2.gz JVKGPTBSQZXZJM-UHFFFAOYSA-N -1 0 336.391 3.536 20 0 EHADRM CC(C)c1nocc1C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000901551472 956335677 /nfs/dbraw/zinc/33/56/77/956335677.db2.gz JNUNKKXRDFLCCD-UHFFFAOYSA-N -1 0 342.395 3.516 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N2CCCCC[C@@H]2c2ccncc2)o1 ZINC000901566549 956341041 /nfs/dbraw/zinc/34/10/41/956341041.db2.gz CRLGZXJPOIJATF-QKIRZYONSA-N -1 0 340.379 3.530 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001589161760 956419301 /nfs/dbraw/zinc/41/93/01/956419301.db2.gz BXCVDTVLYSJJHF-ZFWWWQNUSA-N -1 0 327.465 3.510 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)N2CCC(c3ccc(F)cc3)CC2)co1 ZINC000901760623 956456858 /nfs/dbraw/zinc/45/68/58/956456858.db2.gz BCDPOWCITCCTAM-WAYWQWQTSA-N -1 0 343.354 3.536 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001589174526 956480371 /nfs/dbraw/zinc/48/03/71/956480371.db2.gz LBKWRUAGRJUGLN-ATZCPNFKSA-N -1 0 345.226 3.559 20 0 EHADRM C[C@H](c1ccc(C(=O)Nc2cccnc2C(=O)[O-])cc1)C(F)(F)F ZINC001589174680 956483491 /nfs/dbraw/zinc/48/34/91/956483491.db2.gz NYSHSYFTMCUPDU-SECBINFHSA-N -1 0 338.285 3.698 20 0 EHADRM C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001589176734 956509351 /nfs/dbraw/zinc/50/93/51/956509351.db2.gz JFIIZAQPDZBTJL-CJNGLKHVSA-N -1 0 339.395 3.580 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)N2CC3(CCC3)c3c2cccc3F)co1 ZINC000901983186 956588149 /nfs/dbraw/zinc/58/81/49/956588149.db2.gz BOBLQCHBGTZBHF-AATRIKPKSA-N -1 0 341.338 3.599 20 0 EHADRM CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001589191388 956596280 /nfs/dbraw/zinc/59/62/80/956596280.db2.gz ZVNLUPIEHRQLEU-LSDHHAIUSA-N -1 0 338.492 3.735 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)N[C@H](C2CCC2)C2CCCCC2)CC1 ZINC001589191713 956597823 /nfs/dbraw/zinc/59/78/23/956597823.db2.gz SADWXQYWSKWCTK-INIZCTEOSA-N -1 0 336.476 3.632 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2c(Cl)cc(Cl)cc2Cl)C1 ZINC001589193553 956603323 /nfs/dbraw/zinc/60/33/23/956603323.db2.gz AJRFHVYLFOHFLU-CYBMUJFWSA-N -1 0 336.602 3.584 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)CCCCc2ccccc2)Cc2ccccc21 ZINC000902070467 956640642 /nfs/dbraw/zinc/64/06/42/956640642.db2.gz VVLFRUYXCZTXEH-IBGZPJMESA-N -1 0 337.419 3.610 20 0 EHADRM CC1(C)C=Cc2cccc(NC(=O)[C@@H](C(=O)[O-])C3CCCC3)c2O1 ZINC001589210080 956681720 /nfs/dbraw/zinc/68/17/20/956681720.db2.gz VBNFSKUBODWGLJ-HNNXBMFYSA-N -1 0 329.396 3.700 20 0 EHADRM CC1(C)C[C@H](O)c2cccc(NCc3cccc(C(=O)[O-])c3)c2O1 ZINC001589213322 956714520 /nfs/dbraw/zinc/71/45/20/956714520.db2.gz YLBTWEAXWHRKHY-INIZCTEOSA-N -1 0 327.380 3.591 20 0 EHADRM CC1(C)CC[C@H](C(=O)N2CC[C@@H](C(=O)[O-])C2)[C@H](c2ccccc2)C1 ZINC001589220393 956768106 /nfs/dbraw/zinc/76/81/06/956768106.db2.gz SWRQSQWMBJASLS-IKGGRYGDSA-N -1 0 329.440 3.530 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)OCc1nc(C2CCCCC2)cs1 ZINC001589220530 956770292 /nfs/dbraw/zinc/77/02/92/956770292.db2.gz ZKNKKJNEUMZLSL-KRWDZBQOSA-N -1 0 337.441 3.735 20 0 EHADRM O=C([O-])c1ccc(COC(=O)COc2ccc3ccccc3c2)cc1 ZINC001594702115 956809414 /nfs/dbraw/zinc/80/94/14/956809414.db2.gz AXZFUYKVYSXOTJ-UHFFFAOYSA-N -1 0 336.343 3.660 20 0 EHADRM CC1(C)CN(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)[C@@H]2CCC[C@@H]21 ZINC001589229305 956812162 /nfs/dbraw/zinc/81/21/62/956812162.db2.gz AQFVWHNWVIIAJP-MWDXBVQZSA-N -1 0 342.439 3.520 20 0 EHADRM CSCCCCC(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21 ZINC000902825360 956814887 /nfs/dbraw/zinc/81/48/87/956814887.db2.gz LYEPKRSFBGSDJP-AWEZNQCLSA-N -1 0 335.469 3.590 20 0 EHADRM C[C@@H](Sc1nc2ccccc2n1CCc1ccccc1)C(=O)[O-] ZINC000007344342 956881486 /nfs/dbraw/zinc/88/14/86/956881486.db2.gz JQTZBAHQHAEFHV-CYBMUJFWSA-N -1 0 326.421 3.844 20 0 EHADRM Cc1ccc(-c2nnc(S[C@H](C(=O)[O-])c3ccccc3)o2)cc1 ZINC000012179119 956903255 /nfs/dbraw/zinc/90/32/55/956903255.db2.gz ASWZGGFYYBAKGY-AWEZNQCLSA-N -1 0 326.377 3.963 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2cc(F)ccc2s1)c1ccc(F)cc1 ZINC001594715964 956926252 /nfs/dbraw/zinc/92/62/52/956926252.db2.gz HXBWIXHRZGYPLE-HNNXBMFYSA-N -1 0 347.342 3.735 20 0 EHADRM CCc1cccc(CC)c1NC(=O)COc1cccc(C(=O)[O-])c1 ZINC000013079986 956931263 /nfs/dbraw/zinc/93/12/63/956931263.db2.gz XVFRHIXVCXGFAH-UHFFFAOYSA-N -1 0 327.380 3.527 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC001603135807 972227694 /nfs/dbraw/zinc/22/76/94/972227694.db2.gz KXGXKTLVEPEFBT-YWZLYKJASA-N -1 0 329.440 3.670 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)CSCc2cccs2)c1 ZINC000013168120 956950065 /nfs/dbraw/zinc/95/00/65/956950065.db2.gz FMJCGBFYNOUDOZ-UHFFFAOYSA-N -1 0 341.841 3.972 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2csc(-c3ccc(F)cc3)n2)cc1 ZINC000013259780 956997951 /nfs/dbraw/zinc/99/79/51/956997951.db2.gz IJIGEWXFZALDNT-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM Cn1c(SCc2occc2C(=O)[O-])nnc1-c1ccccc1Cl ZINC000013260103 956998352 /nfs/dbraw/zinc/99/83/52/956998352.db2.gz BTDZYHOXMUMJKC-UHFFFAOYSA-N -1 0 349.799 3.719 20 0 EHADRM Cc1ccc(OCCCC(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000013389160 957040992 /nfs/dbraw/zinc/04/09/92/957040992.db2.gz OJQKTJWVABNZSL-OAHLLOKOSA-N -1 0 347.436 3.548 20 0 EHADRM O=C([O-])c1cccc(OCc2cc(=O)oc3cc4c(cc23)CCC4)c1 ZINC000013418937 957059501 /nfs/dbraw/zinc/05/95/01/957059501.db2.gz BZZOICWXRIRTRM-UHFFFAOYSA-N -1 0 336.343 3.559 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)Cc1ccc2ccccc2c1 ZINC000013428876 957068296 /nfs/dbraw/zinc/06/82/96/957068296.db2.gz HSYNCEJDDKFPBS-UHFFFAOYSA-N -1 0 347.414 3.886 20 0 EHADRM Cc1ccc(SCC(=O)N2CCc3cc(C(=O)[O-])ccc32)c(C)c1 ZINC000013447742 957087010 /nfs/dbraw/zinc/08/70/10/957087010.db2.gz ZWDFDXFSCYJJHT-UHFFFAOYSA-N -1 0 341.432 3.683 20 0 EHADRM Cc1cccc2c1N[C@H](c1ccc(-c3ccc(C(=O)[O-])cc3)o1)NC2=O ZINC000028923705 957165470 /nfs/dbraw/zinc/16/54/70/957165470.db2.gz NHAFEHUFADUIOA-SFHVURJKSA-N -1 0 348.358 3.807 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)c1cc(Cl)c2ccccc2n1 ZINC000389988914 972259687 /nfs/dbraw/zinc/25/96/87/972259687.db2.gz FDRYFMSDRQCAAC-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM CC(C)c1ccc(O[C@@H](C)CNC(=O)[C@H](C(=O)[O-])C2CCCC2)cc1 ZINC001603166472 972263310 /nfs/dbraw/zinc/26/33/10/972263310.db2.gz JOPGFXQMRIIAHB-KBXCAEBGSA-N -1 0 347.455 3.585 20 0 EHADRM Cc1ccoc1C(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC000054231872 957524895 /nfs/dbraw/zinc/52/48/95/957524895.db2.gz UKYGJHXBTHNMSG-UHFFFAOYSA-N -1 0 342.376 3.591 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1sccc1Br ZINC000070164170 957662855 /nfs/dbraw/zinc/66/28/55/957662855.db2.gz BLFPOVCYOZARKA-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM C[C@H](NC(=O)NCCCCC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000070200219 957663401 /nfs/dbraw/zinc/66/34/01/957663401.db2.gz XLLFGJVAWWAJKE-VIFPVBQESA-N -1 0 333.215 3.609 20 0 EHADRM O=C([O-])[C@@H](Cc1ccccc1)Nc1nc(C2CCCCC2)ns1 ZINC001574748167 957712552 /nfs/dbraw/zinc/71/25/52/957712552.db2.gz GUFVXBAIJPSZAL-CQSZACIVSA-N -1 0 331.441 3.694 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@H](CCc2ccccc2)C(F)F)c1 ZINC001594286915 957787369 /nfs/dbraw/zinc/78/73/69/957787369.db2.gz RCUZRRNEKLIFBO-MRXNPFEDSA-N -1 0 347.361 3.690 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2cccc(Oc3cnccn3)c2)c1 ZINC001594289437 957813147 /nfs/dbraw/zinc/81/31/47/957813147.db2.gz WHVMGLOJNJXAEY-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2-c2noc(C3CC3)n2)cc1 ZINC001574796386 957823156 /nfs/dbraw/zinc/82/31/56/957823156.db2.gz MCHITCGXUHTRRM-UHFFFAOYSA-N -1 0 349.346 3.565 20 0 EHADRM Cc1cc(C)cc(-c2cc(NC(=O)C3(C(=O)[O-])CCCCC3)n[nH]2)c1 ZINC001594294503 957862253 /nfs/dbraw/zinc/86/22/53/957862253.db2.gz RLPNHCPFIVOKPM-UHFFFAOYSA-N -1 0 341.411 3.667 20 0 EHADRM C[C@H](CSCc1ccccc1)C(=O)N(CC(=O)[O-])CC(C)(C)C ZINC001603199077 972300525 /nfs/dbraw/zinc/30/05/25/972300525.db2.gz ALJCRFJALDPSCM-CQSZACIVSA-N -1 0 337.485 3.515 20 0 EHADRM CCCc1nc(COc2cc(/C=C/C(=O)[O-])ccc2OC)cs1 ZINC000390719300 972300696 /nfs/dbraw/zinc/30/06/96/972300696.db2.gz LBABBAFHHZNFFU-SOFGYWHQSA-N -1 0 333.409 3.781 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)N2CC3(CC=CC3)[C@H]2c2ccccc2)c1 ZINC001574821042 957912521 /nfs/dbraw/zinc/91/25/21/957912521.db2.gz YQTKAEAZPHNDFL-QGZVFWFLSA-N -1 0 349.390 3.705 20 0 EHADRM Cc1cc(CCCC(=O)N(CC(=O)[O-])CC(C)(C)C)c(C)s1 ZINC001594302399 957921203 /nfs/dbraw/zinc/92/12/03/957921203.db2.gz PDGYVNPKLPQAJF-UHFFFAOYSA-N -1 0 325.474 3.647 20 0 EHADRM COc1cc(Cl)cc(C(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC001594058804 958069971 /nfs/dbraw/zinc/06/99/71/958069971.db2.gz IYZNPPYMDQEHKK-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)Nc2cc(F)cc(Cl)c2)cc1 ZINC000391120084 972318478 /nfs/dbraw/zinc/31/84/78/972318478.db2.gz IQDPLUBKFJFYHC-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM C[C@@H](NC(=O)C1(C(=O)[O-])CCCCCC1)c1ccc2c(c1)CCCO2 ZINC001603215676 972329125 /nfs/dbraw/zinc/32/91/25/972329125.db2.gz JXHYRTWOERHUMY-CQSZACIVSA-N -1 0 345.439 3.614 20 0 EHADRM O=C([O-])CC1CCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000093679200 958248600 /nfs/dbraw/zinc/24/86/00/958248600.db2.gz JASYURGKGCPESN-UHFFFAOYSA-N -1 0 331.199 3.712 20 0 EHADRM Cc1ccc(C(F)(F)F)c(NC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC001594350721 958350429 /nfs/dbraw/zinc/35/04/29/958350429.db2.gz KUVUKIDEMYQCQN-QWRGUYRKSA-N -1 0 344.333 3.731 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1 ZINC000106795765 958370228 /nfs/dbraw/zinc/37/02/28/958370228.db2.gz IKUOTPYZQSEKMV-GOSISDBHSA-N -1 0 337.419 3.636 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)C2(c3ccccc3)CCCC2)c1 ZINC000107928913 958372139 /nfs/dbraw/zinc/37/21/39/958372139.db2.gz FBBPCZAQDFFCKI-UHFFFAOYSA-N -1 0 337.419 3.556 20 0 EHADRM Cc1ccc(Cl)c2sc(NC(=O)[C@H](C(=O)[O-])C(C)C)nc21 ZINC001594363047 958470726 /nfs/dbraw/zinc/47/07/26/958470726.db2.gz IIGFNPQLGJDIEN-SECBINFHSA-N -1 0 326.805 3.553 20 0 EHADRM Cc1ccc(N(C)Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)cc1 ZINC001594367116 958498733 /nfs/dbraw/zinc/49/87/33/958498733.db2.gz MXHYZHXCFIRYTL-OAHLLOKOSA-N -1 0 328.412 3.525 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC001594123566 958612442 /nfs/dbraw/zinc/61/24/42/958612442.db2.gz OWLWSVJGDCQXSA-XJKSGUPXSA-N -1 0 335.444 3.585 20 0 EHADRM Cc1ccc(SC2(CNC(=O)[C@@H](C(=O)[O-])C3CC3)CCCC2)cc1 ZINC001594379077 958615027 /nfs/dbraw/zinc/61/50/27/958615027.db2.gz ZBUQZAUUJFDHAJ-INIZCTEOSA-N -1 0 347.480 3.627 20 0 EHADRM Cc1ccsc1C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000128139101 958636273 /nfs/dbraw/zinc/63/62/73/958636273.db2.gz LAPOZPLPBWBUDY-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)C1CCc2ccccc2CC1)C(=O)[O-] ZINC001573394563 958709567 /nfs/dbraw/zinc/70/95/67/958709567.db2.gz DKJYMRFJPFBNKX-QGZVFWFLSA-N -1 0 331.456 3.577 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)c1cc(F)c(Cl)cc1F)C(=O)[O-] ZINC001573394963 958712222 /nfs/dbraw/zinc/71/22/22/958712222.db2.gz JOYFGRPFEIJNQY-LBPRGKRZSA-N -1 0 333.762 3.628 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)/C=C\c1nc2ccccc2s1)C(=O)[O-] ZINC001573395796 958717313 /nfs/dbraw/zinc/71/73/13/958717313.db2.gz OYRLGNHQIVYWEL-YXVBKTCISA-N -1 0 346.452 3.705 20 0 EHADRM COc1ccccc1C[C@H]1CCC[C@H]1OC(=O)CCCCC(=O)[O-] ZINC001594145340 958756753 /nfs/dbraw/zinc/75/67/53/958756753.db2.gz PTBSETDPJBYNGP-NVXWUHKLSA-N -1 0 334.412 3.595 20 0 EHADRM Cc1cccc(Cl)c1C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001594403650 958872645 /nfs/dbraw/zinc/87/26/45/958872645.db2.gz JXQQKRCULMNUBW-ZFWWWQNUSA-N -1 0 329.783 3.691 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)Cc1c(Cl)cccc1Cl ZINC000136685502 958904268 /nfs/dbraw/zinc/90/42/68/958904268.db2.gz GOGSBNPCDQBVEB-GFCCVEGCSA-N -1 0 332.227 3.542 20 0 EHADRM CC(C)(C)Oc1ccccc1CNC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C ZINC001573457823 958909250 /nfs/dbraw/zinc/90/92/50/958909250.db2.gz KYASNWOJQMAGGM-UHFFFAOYSA-N -1 0 347.455 3.617 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)/C=C/c1cccs1)C(=O)[O-] ZINC000137708574 958937581 /nfs/dbraw/zinc/93/75/81/958937581.db2.gz YSKAHHURRAUICD-ATWMFIQVSA-N -1 0 329.421 3.511 20 0 EHADRM CC(C)(CCNC(=O)N[C@@H](c1ccccc1)C1CCCC1)C(=O)[O-] ZINC001573474347 958951438 /nfs/dbraw/zinc/95/14/38/958951438.db2.gz RBYFBHRWVPGFJY-INIZCTEOSA-N -1 0 332.444 3.718 20 0 EHADRM C[C@@H](C(=O)N[C@H](CCC(=O)[O-])c1ccccc1)c1cccc(F)c1 ZINC000139446615 958968597 /nfs/dbraw/zinc/96/85/97/958968597.db2.gz USKJHZZSJHMBJM-CXAGYDPISA-N -1 0 329.371 3.652 20 0 EHADRM Cc1cc(NC(=O)NCc2ccc(C(=O)[O-])cc2)c(Cl)cc1F ZINC000391934285 972391601 /nfs/dbraw/zinc/39/16/01/972391601.db2.gz OYONOOPEZWYZIT-UHFFFAOYSA-N -1 0 336.750 3.807 20 0 EHADRM Cc1nc(-c2ccccc2C)sc1C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC001594414204 958986985 /nfs/dbraw/zinc/98/69/85/958986985.db2.gz XDGYATGIJHDHFY-CQSZACIVSA-N -1 0 346.452 3.656 20 0 EHADRM Cc1ccccc1C1(CNC(=O)C2(C(=O)[O-])CC=CC2)CCCCC1 ZINC001594416668 959009743 /nfs/dbraw/zinc/00/97/43/959009743.db2.gz JHLBJYJYZJUKDK-UHFFFAOYSA-N -1 0 341.451 3.734 20 0 EHADRM CC(C)[C@H](NC(=O)c1coc(/C=C\C(=O)[O-])c1)c1ccccc1F ZINC001573498634 959041350 /nfs/dbraw/zinc/04/13/50/959041350.db2.gz FELJOGVBJIJSJT-QWPQOLDESA-N -1 0 331.343 3.644 20 0 EHADRM CC(C)C[C@@H](NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001573516928 959107276 /nfs/dbraw/zinc/10/72/76/959107276.db2.gz OVPRYHBQMVQRCX-VHDGCEQUSA-N -1 0 338.835 3.590 20 0 EHADRM CC(C)C[C@H](CNc1ncnc2sc3c(c21)CCC3)CC(=O)[O-] ZINC001573537181 959179362 /nfs/dbraw/zinc/17/93/62/959179362.db2.gz RRBCUWXFGSZKMB-NSHDSACASA-N -1 0 333.457 3.729 20 0 EHADRM CC(C)[C@@H](CNC(=O)[C@H](C)C(=O)[O-])Cc1ccc(Cl)cc1Cl ZINC001588571652 959188564 /nfs/dbraw/zinc/18/85/64/959188564.db2.gz ZNHMKWFHDSTKJR-CMPLNLGQSA-N -1 0 346.254 3.645 20 0 EHADRM Cc1coc(C(=O)Nc2cc(C(=O)[O-])ccc2Br)c1C ZINC001594436326 959241378 /nfs/dbraw/zinc/24/13/78/959241378.db2.gz UKYKYDPVKCRXFO-UHFFFAOYSA-N -1 0 338.157 3.609 20 0 EHADRM C[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccn1)c1ccc2c(c1)CCCC2 ZINC001594201795 959253553 /nfs/dbraw/zinc/25/35/53/959253553.db2.gz HOKHDHDPPZSWDV-GFCCVEGCSA-N -1 0 339.395 3.541 20 0 EHADRM Cc1csc(Sc2ccc(NC(=O)[C@H]3CC[C@H]3C(=O)[O-])cc2)n1 ZINC001594440894 959264325 /nfs/dbraw/zinc/26/43/25/959264325.db2.gz VUHYADXQWAHLNO-QWHCGFSZSA-N -1 0 348.449 3.652 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000392144776 972416053 /nfs/dbraw/zinc/41/60/53/972416053.db2.gz AUTUSGSPTSKXHQ-RDBSUJKOSA-N -1 0 349.393 3.895 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)CSCc1ccc(C(C)(C)C)cc1)C1CC1 ZINC001588584571 959292105 /nfs/dbraw/zinc/29/21/05/959292105.db2.gz KVYZXJQBLZNXOE-CYBMUJFWSA-N -1 0 349.496 3.681 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)Cc1ccc3ccccc3c1)CC2 ZINC000165959563 959297071 /nfs/dbraw/zinc/29/70/71/959297071.db2.gz SVVSFNFZVIVFQU-UHFFFAOYSA-N -1 0 345.398 3.665 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(C(=O)[O-])cn1)Cc1ccc(Cl)cc1 ZINC001573577621 959338140 /nfs/dbraw/zinc/33/81/40/959338140.db2.gz XIFPVVQSHZFHEM-LLVKDONJSA-N -1 0 332.787 3.641 20 0 EHADRM O=C([O-])c1coc(C(=O)N(CCc2ccccc2)c2ccccc2)c1 ZINC000183809124 959451560 /nfs/dbraw/zinc/45/15/60/959451560.db2.gz ADILMSTXMMYGHO-UHFFFAOYSA-N -1 0 335.359 3.867 20 0 EHADRM C[C@H](CSc1ccc(F)cc1)C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC001573607556 959456610 /nfs/dbraw/zinc/45/66/10/959456610.db2.gz BZPCICHTAVURFV-SNVBAGLBSA-N -1 0 349.383 3.596 20 0 EHADRM Cc1nc2c(s1)[C@@H]([N@H+](C)CCOc1ccccc1C(=O)[O-])CCC2 ZINC000183936238 959457652 /nfs/dbraw/zinc/45/76/52/959457652.db2.gz AAAYAXZIRADNGG-HNNXBMFYSA-N -1 0 346.452 3.538 20 0 EHADRM C[C@@H](Cn1ccc2ccccc21)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC001573610808 959478981 /nfs/dbraw/zinc/47/89/81/959478981.db2.gz KJMQZFSSJIKFIE-DOTOQJQBSA-N -1 0 342.439 3.523 20 0 EHADRM C[C@H](NC(=O)NCc1cccc(C(=O)[O-])c1)c1cc2ccccc2o1 ZINC001594235525 959509094 /nfs/dbraw/zinc/50/90/94/959509094.db2.gz MHPHITYXYXAAQO-LBPRGKRZSA-N -1 0 338.363 3.691 20 0 EHADRM C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001573622052 959516614 /nfs/dbraw/zinc/51/66/14/959516614.db2.gz CPRHHAZMGRXUGD-NFWSPEMXSA-N -1 0 349.858 3.695 20 0 EHADRM Cc1cccc(C(=O)Nc2cc(C(=O)[O-])cs2)c1Br ZINC000191333580 959554968 /nfs/dbraw/zinc/55/49/68/959554968.db2.gz LPWLVMGYNOLCFX-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM COc1ccccc1CCC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000191398871 959558556 /nfs/dbraw/zinc/55/85/56/959558556.db2.gz KKSNXDPMBIUFHM-AWEZNQCLSA-N -1 0 341.407 3.530 20 0 EHADRM O=C([O-])C1(CNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CCCCC1 ZINC000191513194 959573857 /nfs/dbraw/zinc/57/38/57/959573857.db2.gz RSNYFFZXNUVXDA-LSDHHAIUSA-N -1 0 335.831 3.595 20 0 EHADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1ccccc1Cl ZINC000191531608 959579678 /nfs/dbraw/zinc/57/96/78/959579678.db2.gz JOEXGAGMIWXFCT-CQSZACIVSA-N -1 0 331.799 3.546 20 0 EHADRM Cc1cc(NC(=O)c2cc(C(=O)[O-])co2)ccc1Oc1cccnc1 ZINC000191577553 959583598 /nfs/dbraw/zinc/58/35/98/959583598.db2.gz DBZNIZIBVFTPRM-UHFFFAOYSA-N -1 0 338.319 3.726 20 0 EHADRM C[C@@H](C(=O)Nc1cc2ccccc2cc1C(=O)[O-])C1CCOCC1 ZINC000192864467 959592880 /nfs/dbraw/zinc/59/28/80/959592880.db2.gz AHXYOIISKMGZOR-GFCCVEGCSA-N -1 0 327.380 3.539 20 0 EHADRM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N(CC(=O)[O-])CC(C)(C)C ZINC001573641311 959612280 /nfs/dbraw/zinc/61/22/80/959612280.db2.gz RUYVINVOLWBOID-CQSZACIVSA-N -1 0 349.471 3.711 20 0 EHADRM C[C@@H](Sc1ccc(F)cc1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001573641773 959618037 /nfs/dbraw/zinc/61/80/37/959618037.db2.gz GCWREMICYQSCBR-LLVKDONJSA-N -1 0 333.384 3.572 20 0 EHADRM Cc1nn(C(C)C)cc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001594480569 959626485 /nfs/dbraw/zinc/62/64/85/959626485.db2.gz PJXLRIAZPVCRRW-UHFFFAOYSA-N -1 0 339.754 3.515 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC001588632970 959627328 /nfs/dbraw/zinc/62/73/28/959627328.db2.gz CHBSYFLLOPTTGQ-NSHDSACASA-N -1 0 349.761 3.669 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCc2cc(-c3ccccc3)oc2C1 ZINC001588635703 959657488 /nfs/dbraw/zinc/65/74/88/959657488.db2.gz NIUWLTMWVJPYKF-QGZVFWFLSA-N -1 0 341.407 3.578 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC001573656119 959673336 /nfs/dbraw/zinc/67/33/36/959673336.db2.gz ROKQQTCKIZSDIF-UHFFFAOYSA-N -1 0 345.317 3.503 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001594258923 959674875 /nfs/dbraw/zinc/67/48/75/959674875.db2.gz SNUKSSSQLACFMH-UHFFFAOYSA-N -1 0 330.340 3.694 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)CSCCC(=O)[O-])c1ccc(F)cc1 ZINC001588642185 959698446 /nfs/dbraw/zinc/69/84/46/959698446.db2.gz ADSGYZGVUOZBJA-CQSZACIVSA-N -1 0 341.448 3.627 20 0 EHADRM CC1(C)CCc2cccc(NC(=O)NC3CCC(C(=O)[O-])CC3)c2O1 ZINC001573674836 959720653 /nfs/dbraw/zinc/72/06/53/959720653.db2.gz FQTGNBXNMUOKMB-UHFFFAOYSA-N -1 0 346.427 3.555 20 0 EHADRM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N(CC(=O)[O-])C1CCC1 ZINC001594266134 959738480 /nfs/dbraw/zinc/73/84/80/959738480.db2.gz BPJNLUZGGZDVSQ-CQSZACIVSA-N -1 0 332.444 3.531 20 0 EHADRM C[C@@](CNC(=O)NCC1(C)CCCCCC1)(C(=O)[O-])c1ccccc1 ZINC001573684285 959742821 /nfs/dbraw/zinc/74/28/21/959742821.db2.gz MBMSSLFSHKPUFF-FQEVSTJZSA-N -1 0 346.471 3.689 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC001573711375 959851206 /nfs/dbraw/zinc/85/12/06/959851206.db2.gz MGMKFILQYKMBEZ-BDAKNGLRSA-N -1 0 349.736 3.684 20 0 EHADRM O=C([O-])c1ccc(CN2Cc3ccccc3C2)c(Br)c1 ZINC000226728169 959897175 /nfs/dbraw/zinc/89/71/75/959897175.db2.gz JCIIRUHARQIFKS-UHFFFAOYSA-N -1 0 332.197 3.663 20 0 EHADRM O=C([O-])[C@H]1CCCCN1Cc1cc(Br)c(Cl)s1 ZINC000227976222 959978780 /nfs/dbraw/zinc/97/87/80/959978780.db2.gz CGZRKFGUWUCYEK-SECBINFHSA-N -1 0 338.654 3.603 20 0 EHADRM N#Cc1ccc(NCc2ccccc2CC(=O)[O-])cc1Br ZINC000228169706 959998507 /nfs/dbraw/zinc/99/85/07/959998507.db2.gz VHKCOFOEWJHHQK-UHFFFAOYSA-N -1 0 345.196 3.560 20 0 EHADRM Cc1cc(Br)cc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000232048120 960241614 /nfs/dbraw/zinc/24/16/14/960241614.db2.gz CHTJMMYTAGHIKV-WDEREUQCSA-N -1 0 340.217 3.587 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000232190495 960252104 /nfs/dbraw/zinc/25/21/04/960252104.db2.gz IWWYJTYJQXPMQA-ZETCQYMHSA-N -1 0 334.597 3.542 20 0 EHADRM O=C([O-])C1(CNC(=O)C2(c3ccccc3)CCCC2)CCCCC1 ZINC000392503657 972492280 /nfs/dbraw/zinc/49/22/80/972492280.db2.gz KZBBBHVREQRSJJ-UHFFFAOYSA-N -1 0 329.440 3.650 20 0 EHADRM COc1cc(NC(=O)c2ccc(C(F)(F)F)cc2)ccc1C(=O)[O-] ZINC000392686538 972510692 /nfs/dbraw/zinc/51/06/92/972510692.db2.gz STDHRAZSAMFZFJ-UHFFFAOYSA-N -1 0 339.269 3.665 20 0 EHADRM Cc1cc(C(=O)[O-])c(NC(=O)c2cc(Cl)nc(Cl)c2)s1 ZINC000235847026 960517633 /nfs/dbraw/zinc/51/76/33/960517633.db2.gz MSWAMSCTMDBTEW-UHFFFAOYSA-N -1 0 331.180 3.709 20 0 EHADRM CSc1ccc([C@H](C)NC(=O)c2coc(/C=C/C(=O)[O-])c2)cc1 ZINC001574257370 960541168 /nfs/dbraw/zinc/54/11/68/960541168.db2.gz HTHXIKIEKQVVLI-BWNDKRECSA-N -1 0 331.393 3.590 20 0 EHADRM Cc1ccccc1N(CCC(=O)[O-])C(=O)c1ccnc2ccccc21 ZINC000392695191 972511973 /nfs/dbraw/zinc/51/19/73/972511973.db2.gz DGDOFAZVEJJBNW-UHFFFAOYSA-N -1 0 334.375 3.665 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000392732262 972514136 /nfs/dbraw/zinc/51/41/36/972514136.db2.gz TVCJMEJUJSQPTN-GFCCVEGCSA-N -1 0 347.386 3.843 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)CCCn1ccc2cc(Cl)ccc21 ZINC001574268333 960605455 /nfs/dbraw/zinc/60/54/55/960605455.db2.gz MTULGSNZWBSUJW-MLGOLLRUSA-N -1 0 348.830 3.539 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)c1ccc(Cl)nc1Cl ZINC000236453348 960625810 /nfs/dbraw/zinc/62/58/10/960625810.db2.gz QLPOWYJDXDHIQV-UHFFFAOYSA-N -1 0 345.569 3.992 20 0 EHADRM CCC(CC)(CNC(=O)N[C@H]1CC(C)(C)c2ccccc21)C(=O)[O-] ZINC001573783799 960721036 /nfs/dbraw/zinc/72/10/36/960721036.db2.gz CMUKHHWYSHGFQF-HNNXBMFYSA-N -1 0 332.444 3.599 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1cc2ccccc2[nH]1 ZINC000236641712 960721097 /nfs/dbraw/zinc/72/10/97/960721097.db2.gz OWOOCWNAOAKYJY-UHFFFAOYSA-N -1 0 338.363 3.906 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)C[C@H](C)c1ccccc1C(F)(F)F ZINC000236664448 960727778 /nfs/dbraw/zinc/72/77/78/960727778.db2.gz BFYZKNONFHDZMG-LBPRGKRZSA-N -1 0 345.361 3.768 20 0 EHADRM CC(C)(CNC(=O)c1ccc(C(=O)[O-])o1)Cc1cccc(Cl)c1 ZINC000236707329 960738087 /nfs/dbraw/zinc/73/80/87/960738087.db2.gz XTYPZXAUMQNGGM-UHFFFAOYSA-N -1 0 335.787 3.630 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)c(C)n1C(C)C ZINC000236708761 960738127 /nfs/dbraw/zinc/73/81/27/960738127.db2.gz LKGCTSOPJJBPDN-KRWDZBQOSA-N -1 0 346.402 3.771 20 0 EHADRM CC(C)c1ccc(CN(C(=O)c2ccc(C(=O)[O-])cn2)C2CC2)cc1 ZINC000236711613 960739630 /nfs/dbraw/zinc/73/96/30/960739630.db2.gz QNYPQQOOMPLFRX-UHFFFAOYSA-N -1 0 338.407 3.708 20 0 EHADRM CC(C)c1cccc(OCC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000236793296 960757530 /nfs/dbraw/zinc/75/75/30/960757530.db2.gz VPPKNNIUSQXABV-UHFFFAOYSA-N -1 0 341.407 3.546 20 0 EHADRM CC(C)(CC(=O)N[C@@H](CC(=O)[O-])c1cccs1)c1ccccc1 ZINC000236794251 960757966 /nfs/dbraw/zinc/75/79/66/960757966.db2.gz QDJAEOZSANZQHG-AWEZNQCLSA-N -1 0 331.437 3.748 20 0 EHADRM CCCCC[C@@H](NC(=O)C[C@@H](c1ccccc1)C(F)(F)F)C(=O)[O-] ZINC000236818600 960765265 /nfs/dbraw/zinc/76/52/65/960765265.db2.gz QXRZFAWGLDLUSH-UONOGXRCSA-N -1 0 345.361 3.872 20 0 EHADRM CCC(CC)(CNC(=O)CCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000236836427 960769328 /nfs/dbraw/zinc/76/93/28/960769328.db2.gz FWQBRHZXOOLJBU-UHFFFAOYSA-N -1 0 346.254 3.933 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)c1cccc(OCc2cccs2)c1)C(=O)[O-] ZINC000236856627 960777819 /nfs/dbraw/zinc/77/78/19/960777819.db2.gz FKAQCYGLQALSEN-MLGOLLRUSA-N -1 0 347.436 3.556 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCCc3cc(F)cc(F)c32)c1 ZINC001574315617 960783026 /nfs/dbraw/zinc/78/30/26/960783026.db2.gz PKHHIBAFFDQCQF-UHFFFAOYSA-N -1 0 331.318 3.564 20 0 EHADRM CC[C@@H](C)[C@H](C(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000236873020 960787061 /nfs/dbraw/zinc/78/70/61/960787061.db2.gz ARKJRXOIFRPFNR-BEFAXECRSA-N -1 0 339.435 3.873 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NC(C)(C)c2ccc(F)c(F)c2)c1 ZINC001574316062 960788804 /nfs/dbraw/zinc/78/88/04/960788804.db2.gz WNUITWRFZZQXTH-UHFFFAOYSA-N -1 0 333.334 3.637 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NC[C@@H]2CCCCC(F)(F)C2)c1 ZINC001574317970 960798673 /nfs/dbraw/zinc/79/86/73/960798673.db2.gz FAFIVUDFEZDZTR-GFCCVEGCSA-N -1 0 325.355 3.639 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)c1 ZINC001574318101 960803410 /nfs/dbraw/zinc/80/34/10/960803410.db2.gz LJMCKIMWVKDLLP-GOEBONIOSA-N -1 0 329.783 3.633 20 0 EHADRM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ccnc(C(=O)[O-])c2)o1 ZINC000236983938 960824011 /nfs/dbraw/zinc/82/40/11/960824011.db2.gz HHQCKYOWOHRHDC-BLLLJJGKSA-N -1 0 342.395 3.549 20 0 EHADRM Cc1cc(C)cc(C[C@@H](C)NC(=O)N2CCCC[C@H]2CCC(=O)[O-])c1 ZINC001574325240 960840021 /nfs/dbraw/zinc/84/00/21/960840021.db2.gz DYJRKRWLKYOKLL-AEFFLSMTSA-N -1 0 346.471 3.663 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000237197757 960883438 /nfs/dbraw/zinc/88/34/38/960883438.db2.gz CCTINAUMQKRRRT-CYBMUJFWSA-N -1 0 341.407 3.909 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001574331156 960889901 /nfs/dbraw/zinc/88/99/01/960889901.db2.gz YRBUURUSOOHKMX-JKSUJKDBSA-N -1 0 329.783 3.691 20 0 EHADRM COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000237287089 960903617 /nfs/dbraw/zinc/90/36/17/960903617.db2.gz GYYNTGKQQLVCTJ-HNNXBMFYSA-N -1 0 343.379 3.744 20 0 EHADRM CSc1cc(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])c(Cl)cc1Cl ZINC000237299115 960907457 /nfs/dbraw/zinc/90/74/57/960907457.db2.gz VVGWBVSHQPSCCO-HQJQHLMTSA-N -1 0 348.251 3.698 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC001573812879 960912611 /nfs/dbraw/zinc/91/26/11/960912611.db2.gz HSPMXQDIUBVWSR-HZMVEIRTSA-N -1 0 339.476 3.606 20 0 EHADRM Cc1cccc(CCNC(=O)c2ccccc2S[C@H](C)C(=O)[O-])c1 ZINC000237375203 960922523 /nfs/dbraw/zinc/92/25/23/960922523.db2.gz AMZXWVVGHXWNMP-CQSZACIVSA-N -1 0 343.448 3.533 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)CCCc1ccccc1)C(=O)[O-] ZINC000237394099 960925311 /nfs/dbraw/zinc/92/53/11/960925311.db2.gz QTDQHYIMAMQILX-QGZVFWFLSA-N -1 0 339.435 3.759 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C(=O)c1ccc(C(=O)[O-])o1)C1CC1 ZINC000237435645 960934817 /nfs/dbraw/zinc/93/48/17/960934817.db2.gz HFZNCFIZKKUMMH-SNVBAGLBSA-N -1 0 333.771 3.997 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCC[C@@H]1C(=O)[O-] ZINC000237522301 960953943 /nfs/dbraw/zinc/95/39/43/960953943.db2.gz JQCSYQSKQQUEIZ-LQJRIPTKSA-N -1 0 344.238 3.542 20 0 EHADRM CCc1cc(OCC(=O)Nc2cccc(CC(=O)[O-])c2)ccc1Cl ZINC001319847236 960960246 /nfs/dbraw/zinc/96/02/46/960960246.db2.gz LGRCXOPIHFWPKO-UHFFFAOYSA-N -1 0 347.798 3.547 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(OCCC(=O)[O-])cc1)c1ccccc1 ZINC000237599771 960968964 /nfs/dbraw/zinc/96/89/64/960968964.db2.gz JDOGPFQZFFOESI-AWEZNQCLSA-N -1 0 327.380 3.672 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000237621501 960976939 /nfs/dbraw/zinc/97/69/39/960976939.db2.gz AVKXEMHMXFTRAT-TZMCWYRMSA-N -1 0 349.477 3.702 20 0 EHADRM Cc1cccc2c(CCC(=O)NCCCCCCC(=O)[O-])c[nH]c21 ZINC000237674749 960993796 /nfs/dbraw/zinc/99/37/96/960993796.db2.gz NCROXYKJJPBVKQ-UHFFFAOYSA-N -1 0 330.428 3.560 20 0 EHADRM Cc1cc(C)cc(C(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)c1 ZINC000237775795 961021848 /nfs/dbraw/zinc/02/18/48/961021848.db2.gz RJBCDTMNLQOSJN-UHFFFAOYSA-N -1 0 348.402 3.681 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1C ZINC000237839914 961032320 /nfs/dbraw/zinc/03/23/20/961032320.db2.gz MPEWKSFIJOJVFF-UHFFFAOYSA-N -1 0 339.391 3.912 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)/C=C/c2ccccc2)c2ccccc12 ZINC000237961493 961053892 /nfs/dbraw/zinc/05/38/92/961053892.db2.gz LZVOPINPBNOYPD-JLHYYAGUSA-N -1 0 347.370 3.955 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)s1 ZINC000238051754 961087855 /nfs/dbraw/zinc/08/78/55/961087855.db2.gz SMQVMPQFAFNFSX-NSHDSACASA-N -1 0 347.289 3.619 20 0 EHADRM O=C([O-])CCCCCCNC(=O)COc1cc(Cl)ccc1Cl ZINC000238116109 961105263 /nfs/dbraw/zinc/10/52/63/961105263.db2.gz XZQMVFSRFRFJLN-UHFFFAOYSA-N -1 0 348.226 3.524 20 0 EHADRM Cc1ccc(SCC(=O)NC2(C(=O)[O-])CCCCCC2)c(C)c1 ZINC001574382122 961110979 /nfs/dbraw/zinc/11/09/79/961110979.db2.gz FGLJDGWCDXSBLR-UHFFFAOYSA-N -1 0 335.469 3.689 20 0 EHADRM O=C([O-])CN(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000238146941 961127385 /nfs/dbraw/zinc/12/73/85/961127385.db2.gz HTIWWCDWDJHBAO-IAGOWNOFSA-N -1 0 343.810 3.557 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c1 ZINC000238157837 961137346 /nfs/dbraw/zinc/13/73/46/961137346.db2.gz FCTMTYONKBIWGT-UHFFFAOYSA-N -1 0 332.718 3.911 20 0 EHADRM O=C([O-])CCCCNC(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000238171561 961141699 /nfs/dbraw/zinc/14/16/99/961141699.db2.gz DGPQQJSXZXIACJ-UHFFFAOYSA-N -1 0 332.227 3.687 20 0 EHADRM CC(C)(C)c1ccc(CCC(=O)Nc2cncc(C(=O)[O-])c2)cc1 ZINC001588739415 961149970 /nfs/dbraw/zinc/14/99/70/961149970.db2.gz GMEHKQKYOCVTHR-UHFFFAOYSA-N -1 0 326.396 3.649 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)C(C)(C)Oc2ccccc2)cc1)C(=O)[O-] ZINC001327495529 961166132 /nfs/dbraw/zinc/16/61/32/961166132.db2.gz HTLGEZJRWLAFDZ-AWEZNQCLSA-N -1 0 341.407 3.746 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCN2C(=O)Nc1cccnc1C(=O)[O-] ZINC001588741490 961172945 /nfs/dbraw/zinc/17/29/45/961172945.db2.gz HIOQAGCIVDWABD-UHFFFAOYSA-N -1 0 339.395 3.672 20 0 EHADRM Cc1cccc([C@@H](NC(=O)NC[C@H](CC(C)C)C(=O)[O-])C(C)C)c1 ZINC001574392180 961188420 /nfs/dbraw/zinc/18/84/20/961188420.db2.gz QKTPLXDKPISZKM-IRXDYDNUSA-N -1 0 334.460 3.738 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2cscc2C(F)(F)F)C(=O)[O-])c1 ZINC001574392597 961193973 /nfs/dbraw/zinc/19/39/73/961193973.db2.gz WSUUWDVOOBRRRY-GFCCVEGCSA-N -1 0 343.326 3.631 20 0 EHADRM CCCn1c(C(=O)NCc2ccc(C(=O)[O-])cc2)cc2ccccc21 ZINC001573866612 961195355 /nfs/dbraw/zinc/19/53/55/961195355.db2.gz CEYFBDNXSNMXMK-UHFFFAOYSA-N -1 0 336.391 3.680 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cccc([C@@H]3CCCOC3)c2)ccc1F ZINC001328763007 961228400 /nfs/dbraw/zinc/22/84/00/961228400.db2.gz PWPKTVYAWNTPRV-CQSZACIVSA-N -1 0 343.354 3.670 20 0 EHADRM Cc1ccccc1Oc1ccc(C(=O)Nc2cncc(C(=O)[O-])c2)nc1 ZINC001574404383 961254869 /nfs/dbraw/zinc/25/48/69/961254869.db2.gz KBBRQWHREFPIID-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM Cc1ccccc1OCCCN(C)C(=O)Nc1ccccc1C(=O)[O-] ZINC001574404597 961259437 /nfs/dbraw/zinc/25/94/37/961259437.db2.gz UMFNOKATVPXTFW-UHFFFAOYSA-N -1 0 342.395 3.626 20 0 EHADRM CC(C)(CNC(=O)N1CCCC[C@H]1CCC(=O)[O-])Cc1ccccc1 ZINC001588778800 961290723 /nfs/dbraw/zinc/29/07/23/961290723.db2.gz ANKBKEBLXLZFCY-KRWDZBQOSA-N -1 0 346.471 3.684 20 0 EHADRM Cc1ncc(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)c(Cl)c1Cl ZINC001574426090 961364330 /nfs/dbraw/zinc/36/43/30/961364330.db2.gz ASXMGKLJANQAOX-JTQLQIEISA-N -1 0 347.242 3.564 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N[C@@](C)(CC(=O)[O-])C3CC3)c(Cl)c2c1 ZINC001331894785 961403734 /nfs/dbraw/zinc/40/37/34/961403734.db2.gz HBXROINAEBJPRT-KRWDZBQOSA-N -1 0 334.803 3.503 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)CCc2ccccc2C(=O)[O-])c1C ZINC000262131080 961487186 /nfs/dbraw/zinc/48/71/86/961487186.db2.gz HMMSABUQMMMILW-OAHLLOKOSA-N -1 0 325.408 3.812 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CCC[C@@H]1CCc1ccccc1 ZINC000262159545 961509738 /nfs/dbraw/zinc/50/97/38/961509738.db2.gz KGRRVUNCLLIWSN-GOSISDBHSA-N -1 0 337.419 3.551 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N(Cc2ccccc2)CC2CCC2)c1 ZINC000262170240 961519912 /nfs/dbraw/zinc/51/99/12/961519912.db2.gz LJFPNPMLADYLRD-UHFFFAOYSA-N -1 0 337.419 3.756 20 0 EHADRM CCOc1ccc(CN2CC[C@@H](C(=O)[O-])c3ccccc32)cc1OC ZINC001573919960 961524651 /nfs/dbraw/zinc/52/46/51/961524651.db2.gz OEGOOZOWSMIDBW-MRXNPFEDSA-N -1 0 341.407 3.672 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)Cc1ccccc1C(=O)[O-] ZINC000262183790 961529843 /nfs/dbraw/zinc/52/98/43/961529843.db2.gz QHKQQBCYMMGYQH-CYBMUJFWSA-N -1 0 345.826 3.670 20 0 EHADRM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(C(=O)[O-])n1 ZINC000262202427 961547673 /nfs/dbraw/zinc/54/76/73/961547673.db2.gz URIVJWUJTFNROY-CRAIPNDOSA-N -1 0 338.407 3.578 20 0 EHADRM Cc1oc(CN2CCO[C@H](c3ccc(Cl)s3)C2)cc1C(=O)[O-] ZINC001332643229 961617611 /nfs/dbraw/zinc/61/76/11/961617611.db2.gz NJOUYWIPHHYNEG-LBPRGKRZSA-N -1 0 341.816 3.575 20 0 EHADRM CC(C)[C@H](CNC(=O)N1CC(C)(C)C[C@@H]1c1ccccc1)C(=O)[O-] ZINC001588821303 961621275 /nfs/dbraw/zinc/62/12/75/961621275.db2.gz GBOSLNKFSPCZIC-JKSUJKDBSA-N -1 0 332.444 3.526 20 0 EHADRM CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)c1ccc(C(C)(C)C)cc1 ZINC000262344191 961656812 /nfs/dbraw/zinc/65/68/12/961656812.db2.gz ABPLYJWSZZNOJX-OAHLLOKOSA-N -1 0 349.471 3.574 20 0 EHADRM O=C([O-])CC1(NC(=O)CCSc2ccc(Cl)cc2)CCCC1 ZINC000262348657 961662357 /nfs/dbraw/zinc/66/23/57/961662357.db2.gz VBPYOZFEQPNDCN-UHFFFAOYSA-N -1 0 341.860 3.726 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@H]2SCCc3ccccc32)c1 ZINC000262357208 961667115 /nfs/dbraw/zinc/66/71/15/961667115.db2.gz GBRLYZILQQVGBW-SFHVURJKSA-N -1 0 341.432 3.673 20 0 EHADRM C[C@H](c1ccc(C(=O)N(C)C(C)(C)CC(=O)[O-])cc1)C(F)(F)F ZINC001333347640 961692023 /nfs/dbraw/zinc/69/20/23/961692023.db2.gz OXRVSZHRDMIAAR-SNVBAGLBSA-N -1 0 331.334 3.678 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1cc2cccc(Cl)c2s1)C(=O)[O-] ZINC001588829814 961692359 /nfs/dbraw/zinc/69/23/59/961692359.db2.gz VWIWMNMDLUFVSA-SNVBAGLBSA-N -1 0 325.817 3.641 20 0 EHADRM C[C@H](CC(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccccc1F ZINC000262393009 961692417 /nfs/dbraw/zinc/69/24/17/961692417.db2.gz MOFVJNWCCBPUSZ-CYBMUJFWSA-N -1 0 329.371 3.975 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)c1ccc(C(=O)[O-])cc1F)C1CC1 ZINC000262423458 961712032 /nfs/dbraw/zinc/71/20/32/961712032.db2.gz QUKXJYRIBOAJNU-QGZVFWFLSA-N -1 0 327.355 3.713 20 0 EHADRM Cc1ccc(C)c(OCC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000262552556 961767619 /nfs/dbraw/zinc/76/76/19/961767619.db2.gz UCPDXDFPZGJQMN-UHFFFAOYSA-N -1 0 327.380 3.636 20 0 EHADRM C[C@H](Cc1ccccc1)n1cccc1C(=O)N(C)C(C)(C)CC(=O)[O-] ZINC001334203139 961783684 /nfs/dbraw/zinc/78/36/84/961783684.db2.gz QSJZICOIEAVMNO-OAHLLOKOSA-N -1 0 342.439 3.617 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2Cc2ccccc2)CC1 ZINC000262692117 961809687 /nfs/dbraw/zinc/80/96/87/961809687.db2.gz FDYITAOBUZQEJG-KZNAEPCWSA-N -1 0 329.440 3.501 20 0 EHADRM C[C@H](C(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-])c1ccc(Cl)s1 ZINC000262709365 961818848 /nfs/dbraw/zinc/81/88/48/961818848.db2.gz BIYQBECTMXTMOA-YHAQOWFVSA-N -1 0 329.849 3.655 20 0 EHADRM O=C(/C=C/c1ccc(C(=O)[O-])o1)Nc1nnc(C2CCCCC2)s1 ZINC001574513592 961823713 /nfs/dbraw/zinc/82/37/13/961823713.db2.gz JWJFGYBDMOASJC-VQHVLOKHSA-N -1 0 347.396 3.529 20 0 EHADRM CCOc1ccccc1-c1cccc(C(=O)NCC(C)(C)C(=O)[O-])c1 ZINC000262729385 961833193 /nfs/dbraw/zinc/83/31/93/961833193.db2.gz CSAIFUZSVXNCKW-UHFFFAOYSA-N -1 0 341.407 3.593 20 0 EHADRM CC[C@H](C)Oc1ccc(NC(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC000262738400 961838292 /nfs/dbraw/zinc/83/82/92/961838292.db2.gz HYMXVZNBXJSLMN-ZDUSSCGKSA-N -1 0 327.380 3.743 20 0 EHADRM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C1 ZINC000262741438 961842290 /nfs/dbraw/zinc/84/22/90/961842290.db2.gz WOHOXVIEYHKTEE-VQHPVUNQSA-N -1 0 329.440 3.590 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2CCC[C@@H]2CCc2ccccc2)CC1 ZINC000262741338 961842498 /nfs/dbraw/zinc/84/24/98/961842498.db2.gz WKZMASQJULAFAW-KZNAEPCWSA-N -1 0 329.440 3.501 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3S2)cc1)C(=O)[O-] ZINC000262768434 961858650 /nfs/dbraw/zinc/85/86/50/961858650.db2.gz LDLSKELKICQRQT-SJCJKPOMSA-N -1 0 341.432 3.605 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)CCCc2ccsc2)c2ccccc21 ZINC001574524247 961867121 /nfs/dbraw/zinc/86/71/21/961867121.db2.gz IXPROZROWMIPHL-HOTGVXAUSA-N -1 0 329.421 3.500 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)N[C@H]1CCC[C@@H](c2ccccc2)CC1 ZINC001574004761 961889233 /nfs/dbraw/zinc/88/92/33/961889233.db2.gz OATFAOMOPLIPKC-SJORKVTESA-N -1 0 332.444 3.609 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000262857430 961921371 /nfs/dbraw/zinc/92/13/71/961921371.db2.gz IJUJRSKUWMTNAS-CYBMUJFWSA-N -1 0 341.329 3.580 20 0 EHADRM Cc1nc(-c2ccccc2)sc1C(=O)NC1(CC(=O)[O-])CCCC1 ZINC000262855003 961922166 /nfs/dbraw/zinc/92/21/66/961922166.db2.gz IEKGLQLQEOPJNW-UHFFFAOYSA-N -1 0 344.436 3.636 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1sc(C(C)(C)C)nc1C ZINC000262861033 961926395 /nfs/dbraw/zinc/92/63/95/961926395.db2.gz FDJMXCIGWOJTNF-UHFFFAOYSA-N -1 0 348.424 3.708 20 0 EHADRM CCC[C@@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000262885455 961959702 /nfs/dbraw/zinc/95/97/02/961959702.db2.gz BMVDAXXYCAYPAC-QGZVFWFLSA-N -1 0 326.396 3.725 20 0 EHADRM Cc1oc(-c2ccccc2)c(C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)c1C ZINC000262922052 962003565 /nfs/dbraw/zinc/00/35/65/962003565.db2.gz FQCIPEMPPQZYHW-HXUWFJFHSA-N -1 0 341.407 3.890 20 0 EHADRM C[C@@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccc(F)cc1Cl ZINC000262931086 962014171 /nfs/dbraw/zinc/01/41/71/962014171.db2.gz MAZMXOUISNJKFT-GMTAPVOTSA-N -1 0 327.783 3.547 20 0 EHADRM C[C@@H](C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccc(Cl)s1 ZINC000262944244 962029494 /nfs/dbraw/zinc/02/94/94/962029494.db2.gz LVYDULGYOIPRQL-MFKMUULPSA-N -1 0 349.839 3.716 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)NCC2CCCCCC2)c2ccccc21 ZINC001574567202 962042316 /nfs/dbraw/zinc/04/23/16/962042316.db2.gz CVIHUDXXIJSQSM-IAGOWNOFSA-N -1 0 330.428 3.569 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1cc2ccccc2o1 ZINC001339864812 962082569 /nfs/dbraw/zinc/08/25/69/962082569.db2.gz UWAHGRMYTQRKJS-UONOGXRCSA-N -1 0 344.411 3.780 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000262992681 962083359 /nfs/dbraw/zinc/08/33/59/962083359.db2.gz VTTGVVNDJAGDBN-IYARVYRRSA-N -1 0 337.419 3.783 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)N(C)c1ccc(OCC(=O)[O-])cc1 ZINC000263005435 962099914 /nfs/dbraw/zinc/09/99/14/962099914.db2.gz LCYUNRLAHPLECS-CQSZACIVSA-N -1 0 333.428 3.719 20 0 EHADRM COc1cc(NC(=O)C[C@@H](C)c2ccccc2C)ccc1C(=O)[O-] ZINC000263004540 962100165 /nfs/dbraw/zinc/10/01/65/962100165.db2.gz RMNYIJNXIOEIQS-CYBMUJFWSA-N -1 0 327.380 3.834 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(-c2cccs2)o1)c1ccccc1 ZINC001574587856 962116280 /nfs/dbraw/zinc/11/62/80/962116280.db2.gz JCWSEUMZMXUYMT-HNNXBMFYSA-N -1 0 327.361 3.564 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2F)c(F)c1 ZINC001574600190 962159092 /nfs/dbraw/zinc/15/90/92/962159092.db2.gz UPEZUEAFQJCNSQ-CJNGLKHVSA-N -1 0 346.333 3.671 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)CCCCCc1cccs1 ZINC000263040014 962162245 /nfs/dbraw/zinc/16/22/45/962162245.db2.gz RJUCSFSHSCDEEP-LXZKKBNFSA-N -1 0 335.469 3.563 20 0 EHADRM O=C([O-])CC1(NC(=O)CCCc2cccc(C(F)(F)F)c2)CCC1 ZINC000263053523 962187031 /nfs/dbraw/zinc/18/70/31/962187031.db2.gz FSJIUWGSHNXJLW-UHFFFAOYSA-N -1 0 343.345 3.542 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)ccn1 ZINC001574608973 962196290 /nfs/dbraw/zinc/19/62/90/962196290.db2.gz YWZVHQLRMQAKBQ-YEORSEQZSA-N -1 0 345.786 3.501 20 0 EHADRM O=C([O-])c1cccnc1NC(=O)c1cccc(SC(F)(F)F)c1 ZINC001574614376 962209497 /nfs/dbraw/zinc/20/94/97/962209497.db2.gz QNYUTYXYICMXAH-UHFFFAOYSA-N -1 0 342.298 3.644 20 0 EHADRM CC(C)C[C@H](CNC(=O)N[C@H](c1ccccc1)C1CC1)CC(=O)[O-] ZINC001588893086 962217153 /nfs/dbraw/zinc/21/71/53/962217153.db2.gz TYHFQRXRVWMZRY-KBXCAEBGSA-N -1 0 332.444 3.574 20 0 EHADRM O=C([O-])[C@@H](C(=O)NCCc1ccc(Cl)c(Cl)c1)C1CCCC1 ZINC001574616312 962223851 /nfs/dbraw/zinc/22/38/51/962223851.db2.gz HDTCOFLPWJDYFA-CQSZACIVSA-N -1 0 344.238 3.543 20 0 EHADRM O=C([O-])[C@@H](C(=O)NCC1(c2ccc(F)cc2)CCCC1)C1CCCC1 ZINC001574617977 962239170 /nfs/dbraw/zinc/23/91/70/962239170.db2.gz ZHGWUAQNLKFJJM-QGZVFWFLSA-N -1 0 347.430 3.645 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC001574620892 962245118 /nfs/dbraw/zinc/24/51/18/962245118.db2.gz IAIXCTDUBFNYGZ-XHSDSOJGSA-N -1 0 347.773 3.525 20 0 EHADRM O=C([O-])CC1(CNC(=O)Cc2c[nH]c3cccc(Cl)c23)CCCC1 ZINC001345783428 962298166 /nfs/dbraw/zinc/29/81/66/962298166.db2.gz SEBRAFINBFWUPO-UHFFFAOYSA-N -1 0 348.830 3.515 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(-c3ncco3)cc2)CCCCCC1 ZINC001574633486 962313259 /nfs/dbraw/zinc/31/32/59/962313259.db2.gz RUTGUMAQANCWGJ-UHFFFAOYSA-N -1 0 328.368 3.705 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2scnc2C(C)(C)C)c1 ZINC000263165779 962318948 /nfs/dbraw/zinc/31/89/48/962318948.db2.gz FIFJNYLRGQNUNR-SNVBAGLBSA-N -1 0 332.425 3.881 20 0 EHADRM COC(=O)c1cc(NCc2cccc(C(=O)[O-])c2)ccc1SC ZINC001574085242 962322657 /nfs/dbraw/zinc/32/26/57/962322657.db2.gz PBUCLHJMVFXVBG-UHFFFAOYSA-N -1 0 331.393 3.505 20 0 EHADRM Cc1nc(CCCC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cs1 ZINC000263179232 962334883 /nfs/dbraw/zinc/33/48/83/962334883.db2.gz HAUIJIAANVSIBZ-NSHDSACASA-N -1 0 332.425 3.601 20 0 EHADRM CCOCCC1(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)CCCC1 ZINC000263189839 962345626 /nfs/dbraw/zinc/34/56/26/962345626.db2.gz ILGAPYSSJBNUNK-CQSZACIVSA-N -1 0 333.428 3.800 20 0 EHADRM C[C@H](CC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000263202132 962357234 /nfs/dbraw/zinc/35/72/34/962357234.db2.gz NUNRGPQCLYPCOW-GYSYKLTISA-N -1 0 343.345 3.521 20 0 EHADRM Cc1ccc(C)c(OCC(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c1 ZINC000263201859 962357528 /nfs/dbraw/zinc/35/75/28/962357528.db2.gz JZURPRMCQZNTLK-CQSZACIVSA-N -1 0 327.380 3.509 20 0 EHADRM Cc1oc(-c2ccccc2)c(C(=O)N2CCC(CC(=O)[O-])CC2)c1C ZINC000263202777 962359177 /nfs/dbraw/zinc/35/91/77/962359177.db2.gz VIUXZBNVRLOWJU-UHFFFAOYSA-N -1 0 341.407 3.890 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)[C@@H](C)c1c(F)cccc1F)c1ccccc1 ZINC000263217066 962371103 /nfs/dbraw/zinc/37/11/03/962371103.db2.gz XUAHVWSIMGILIK-XWCIJXRUSA-N -1 0 347.361 3.647 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000263244393 962387199 /nfs/dbraw/zinc/38/71/99/962387199.db2.gz CUMUDYYCTKYSQH-QGZVFWFLSA-N -1 0 328.412 3.867 20 0 EHADRM CC[C@@H](C)Sc1ccc(NC(=O)c2cnc(C(=O)[O-])cn2)c(C)c1 ZINC000263283501 962421732 /nfs/dbraw/zinc/42/17/32/962421732.db2.gz PAAYFUIXALLVGV-LLVKDONJSA-N -1 0 345.424 3.626 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N(Cc2ccc(Cl)cc2)C2CC2)cc1 ZINC000263310382 962451076 /nfs/dbraw/zinc/45/10/76/962451076.db2.gz GIHLGKJOHSFDIW-UHFFFAOYSA-N -1 0 343.810 3.772 20 0 EHADRM CO[C@@](C)(C(=O)[O-])C(=O)Nc1cccc(Oc2ccc(C)cc2C)c1 ZINC001574112818 962461988 /nfs/dbraw/zinc/46/19/88/962461988.db2.gz VEHRLOGLRNLZPP-LJQANCHMSA-N -1 0 343.379 3.524 20 0 EHADRM Cc1ccc(C(C)(C)CNC(=O)NC2CCC(C(=O)[O-])CC2)c(C)c1 ZINC000263332978 962481039 /nfs/dbraw/zinc/48/10/39/962481039.db2.gz CTTQXOBLNSRHFX-UHFFFAOYSA-N -1 0 346.471 3.524 20 0 EHADRM CC(C)Oc1c(F)cc(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)cc1F ZINC001588935169 962487978 /nfs/dbraw/zinc/48/79/78/962487978.db2.gz MFUSTYOZBLABTF-KRWDZBQOSA-N -1 0 339.338 3.502 20 0 EHADRM O=C([O-])CCCCC(=O)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000263342478 962492698 /nfs/dbraw/zinc/49/26/98/962492698.db2.gz XZHCHRBYYMDNMN-UHFFFAOYSA-N -1 0 339.382 3.881 20 0 EHADRM CC(C)OCc1cccc(NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC001588935567 962497477 /nfs/dbraw/zinc/49/74/77/962497477.db2.gz MJIDCCIPKLZHTC-HNNXBMFYSA-N -1 0 348.443 3.720 20 0 EHADRM O=C([O-])CC1(C(=O)N[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)CCC1 ZINC001574667587 962525839 /nfs/dbraw/zinc/52/58/39/962525839.db2.gz OOAGELFJTHSTHS-DZGCQCFKSA-N -1 0 335.831 3.737 20 0 EHADRM O=C([O-])CCC(=O)Nc1csnc1-c1cccc(C(F)(F)F)c1 ZINC001574681420 962585758 /nfs/dbraw/zinc/58/57/58/962585758.db2.gz HUXHQDCFMRZOPF-UHFFFAOYSA-N -1 0 344.314 3.632 20 0 EHADRM CC[C@@H](NC(=O)c1c(C)coc1CC(=O)[O-])c1ccc(Cl)cc1 ZINC000263452773 962641910 /nfs/dbraw/zinc/64/19/10/962641910.db2.gz TTXDBDWIMYTOQM-CYBMUJFWSA-N -1 0 335.787 3.750 20 0 EHADRM CC(C)c1cccc(COC(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC001588969641 962664853 /nfs/dbraw/zinc/66/48/53/962664853.db2.gz PIDFFACORSPACV-UHFFFAOYSA-N -1 0 328.364 3.630 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N3CCC[C@@H](C)[C@H]3C(=O)[O-])[nH]c2c1 ZINC001588969568 962665392 /nfs/dbraw/zinc/66/53/92/962665392.db2.gz JIYQKQQHMGKUDZ-PXAZEXFGSA-N -1 0 328.412 3.617 20 0 EHADRM CC(C)c1cccc2c1CCN(C(=O)/C=C\c1ccc(C(=O)[O-])o1)C2 ZINC001588969675 962666707 /nfs/dbraw/zinc/66/67/07/962666707.db2.gz RDRWCMYMBUOZQF-CLFYSBASSA-N -1 0 339.391 3.699 20 0 EHADRM C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)NC2CCC(C(=O)[O-])CC2)C1 ZINC000263492503 962675236 /nfs/dbraw/zinc/67/52/36/962675236.db2.gz RQHGSHVRNPKHPC-KUQKPQIMSA-N -1 0 344.455 3.813 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@H](c2ccccc2)C2CC2)C[C@H]1c1ccccc1 ZINC000263518331 962698207 /nfs/dbraw/zinc/69/82/07/962698207.db2.gz FVIIGRFLPJCGKS-XUVXKRRUSA-N -1 0 349.430 3.507 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)Cc2ccc(F)c(Cl)c2)c1 ZINC001574710634 962708669 /nfs/dbraw/zinc/70/86/69/962708669.db2.gz ZZNZVYNJIZSIOE-UHFFFAOYSA-N -1 0 335.762 3.678 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)cc1 ZINC000263528813 962710807 /nfs/dbraw/zinc/71/08/07/962710807.db2.gz LJYZCNDSSVLSPY-RDJZCZTQSA-N -1 0 327.355 3.590 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000263542334 962720039 /nfs/dbraw/zinc/72/00/39/962720039.db2.gz ROUMEROXAJXMPA-AQNXPRMDSA-N -1 0 349.430 3.722 20 0 EHADRM CCCN(CCc1cccs1)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000263580754 962748715 /nfs/dbraw/zinc/74/87/15/962748715.db2.gz WGXPYQCTBKVDDU-UHFFFAOYSA-N -1 0 345.464 3.860 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)CCOc1ccccc1 ZINC000268905086 962766743 /nfs/dbraw/zinc/76/67/43/962766743.db2.gz YEZWTKUHRFFRIW-UHFFFAOYSA-N -1 0 343.379 3.580 20 0 EHADRM Cc1ccccc1CNc1ccccc1NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001520182244 962834856 /nfs/dbraw/zinc/83/48/56/962834856.db2.gz TYIKBERJRDLZCN-IYBDPMFKSA-N -1 0 338.407 3.656 20 0 EHADRM CCc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)o1 ZINC000277123381 962847521 /nfs/dbraw/zinc/84/75/21/962847521.db2.gz BCTVCSCWKCBYFZ-CQSZACIVSA-N -1 0 338.201 3.520 20 0 EHADRM Cn1c(C(=O)[O-])ccc1[C@H]1CCCCN1C(=O)c1ccoc1C1CC1 ZINC001520205088 962851082 /nfs/dbraw/zinc/85/10/82/962851082.db2.gz GNAUMGDNZRCVCI-OAHLLOKOSA-N -1 0 342.395 3.561 20 0 EHADRM COc1cc2ccccc2cc1C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001574194758 962867167 /nfs/dbraw/zinc/86/71/67/962867167.db2.gz FLCYBOSEFWVAKD-OAQYLSRUSA-N -1 0 349.386 3.578 20 0 EHADRM CCC1(C(=O)NCC2(CC(=O)[O-])CCCC2)CCC(F)(F)CC1 ZINC001526745302 962894440 /nfs/dbraw/zinc/89/44/40/962894440.db2.gz HSQPDTPOSBHIHY-UHFFFAOYSA-N -1 0 331.403 3.743 20 0 EHADRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)CC1CCC(C(F)(F)F)CC1 ZINC001526758346 962902553 /nfs/dbraw/zinc/90/25/53/962902553.db2.gz NLLSAVKOUMZCGD-PYNQCMFNSA-N -1 0 335.366 3.505 20 0 EHADRM Cc1cc2c(CC(=O)N3CC[C@@]4(C(=O)[O-])CCC[C@@H]34)csc2s1 ZINC001549907390 962973359 /nfs/dbraw/zinc/97/33/59/962973359.db2.gz BNIQWXIQGMPKAM-DYVFJYSZSA-N -1 0 349.477 3.670 20 0 EHADRM C[C@H](C(=O)Nc1ccc(C(=O)[O-])cn1)c1ccccc1C(F)(F)F ZINC001573363054 963045928 /nfs/dbraw/zinc/04/59/28/963045928.db2.gz ITKPGZNXYDMAQT-VIFPVBQESA-N -1 0 338.285 3.541 20 0 EHADRM CC(C)(CNC(=O)N1CCc2c(cccc2C(=O)[O-])C1)C1=CCCC1 ZINC000308759813 963300349 /nfs/dbraw/zinc/30/03/49/963300349.db2.gz FHHGLNZEMYSADH-UHFFFAOYSA-N -1 0 342.439 3.589 20 0 EHADRM O=C([O-])CCCCC(=O)NCc1cccc(OCc2ccccc2)c1 ZINC000310896802 963443613 /nfs/dbraw/zinc/44/36/13/963443613.db2.gz MBEBSIDRESATTQ-UHFFFAOYSA-N -1 0 341.407 3.527 20 0 EHADRM Cc1oc(CNC(=O)Nc2cccc(Cl)c2Cl)cc1C(=O)[O-] ZINC000315404165 963896812 /nfs/dbraw/zinc/89/68/12/963896812.db2.gz HNJOFXLJTXNCRJ-UHFFFAOYSA-N -1 0 343.166 3.915 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H]1NC(=O)c1sc2cc(F)ccc2c1Cl ZINC000316035315 963968343 /nfs/dbraw/zinc/96/83/43/963968343.db2.gz CYDYQZAFXJCUAK-WCBMZHEXSA-N -1 0 341.791 3.677 20 0 EHADRM O=C([O-])c1c(NC(=O)[C@H]2CCC(F)(F)C2)sc2c1CCCC2 ZINC000316118934 963978006 /nfs/dbraw/zinc/97/80/06/963978006.db2.gz UCUXZVSNQYBBKV-QMMMGPOBSA-N -1 0 329.368 3.699 20 0 EHADRM COc1ccc(NC(=O)/C=C/c2ccc(Cl)s2)c(C(=O)[O-])c1 ZINC000316495449 964017894 /nfs/dbraw/zinc/01/78/94/964017894.db2.gz PVWMWRQQTWMHAO-QPJJXVBHSA-N -1 0 337.784 3.760 20 0 EHADRM CC(C)COc1cccc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000236693804 967778333 /nfs/dbraw/zinc/77/83/33/967778333.db2.gz HCHVVYTZAGWLAD-INIZCTEOSA-N -1 0 333.428 3.581 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2cc(C3CC3)nc3ccccc32)cc1 ZINC000238037800 967785816 /nfs/dbraw/zinc/78/58/16/967785816.db2.gz MLYHFIHJRXHRNH-UHFFFAOYSA-N -1 0 346.386 3.740 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)CCCc2csc3ccccc23)C1 ZINC000262709789 967826417 /nfs/dbraw/zinc/82/64/17/967826417.db2.gz LEBMLWSTTLXPDA-OCCSQVGLSA-N -1 0 331.437 3.594 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)Cc1cc2c(ccc3ccccc23)o1)C1CC1 ZINC000262819139 967828178 /nfs/dbraw/zinc/82/81/78/967828178.db2.gz VSLNWKSNLXSBTC-LBPRGKRZSA-N -1 0 337.375 3.593 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263135161 967852025 /nfs/dbraw/zinc/85/20/25/967852025.db2.gz DEFPCNVGDUXHEL-GHMZBOCLSA-N -1 0 341.860 3.635 20 0 EHADRM O=C([O-])CCCCC(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000263337231 967874738 /nfs/dbraw/zinc/87/47/38/967874738.db2.gz WPGCNSBXKPVUPQ-IBGZPJMESA-N -1 0 329.371 3.676 20 0 EHADRM O=C([O-])CN(CC1CC1)C(=O)CCCSc1ccc(Cl)cc1 ZINC000315492801 967973236 /nfs/dbraw/zinc/97/32/36/967973236.db2.gz RDRNETYTVZWGCA-UHFFFAOYSA-N -1 0 341.860 3.536 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2cccc3c2CCCC3)C1 ZINC000324950981 968035130 /nfs/dbraw/zinc/03/51/30/968035130.db2.gz BJTWMVAXEAEXIA-LJQANCHMSA-N -1 0 330.428 3.674 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCc3c2cccc3-c2ccccc2)cn1 ZINC000362066866 968056013 /nfs/dbraw/zinc/05/60/13/968056013.db2.gz LDUIPPJNRXCIDW-UHFFFAOYSA-N -1 0 344.370 3.650 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)NC[C@H]2CCCCC2(F)F)c1 ZINC000390035678 968173592 /nfs/dbraw/zinc/17/35/92/968173592.db2.gz AITCVYDKQVBBMA-CYBMUJFWSA-N -1 0 340.370 3.651 20 0 EHADRM C[C@H]1CCCN(C(=O)c2ccc(CCC(F)(F)F)cc2)[C@H]1C(=O)[O-] ZINC000424256267 968352918 /nfs/dbraw/zinc/35/29/18/968352918.db2.gz MKQDJNGSERRUSM-SMDDNHRTSA-N -1 0 343.345 3.507 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000424260528 968353757 /nfs/dbraw/zinc/35/37/57/968353757.db2.gz YUMCGIMPPMBMDE-DLBZAZTESA-N -1 0 331.456 3.667 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N1CC2(CCC2)[C@H]1c1ccccc1)C(=O)[O-] ZINC000424422897 968365676 /nfs/dbraw/zinc/36/56/76/968365676.db2.gz NIZHGZGWDWDRIB-DLBZAZTESA-N -1 0 344.455 3.670 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2ccc(OCc3ccccn3)cc2)c1 ZINC000431645084 968374347 /nfs/dbraw/zinc/37/43/47/968374347.db2.gz NLHUSVQVEMXVAV-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)Nc1cccc(CCC(F)(F)F)c1)C1CC1 ZINC000514772366 968388947 /nfs/dbraw/zinc/38/89/47/968388947.db2.gz DPJNZSPRAUQZGL-JTQLQIEISA-N -1 0 344.333 3.651 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)C[C@@H]1C(=O)[O-] ZINC000567879360 968435810 /nfs/dbraw/zinc/43/58/10/968435810.db2.gz RSTUJKSFOQOLFC-UFBFGSQYSA-N -1 0 349.736 3.542 20 0 EHADRM C[C@@H]1CN(C(=O)N[C@@H]2CCC(C)(C)c3ccccc32)CC[C@H]1C(=O)[O-] ZINC000626749301 968516248 /nfs/dbraw/zinc/51/62/48/968516248.db2.gz BHJCQPMHDJTDQB-CKEIUWERSA-N -1 0 344.455 3.551 20 0 EHADRM C[C@@H](c1nc2ccccc2n1C(F)F)N1CCC(C)(C(=O)[O-])CC1 ZINC000647375634 968573767 /nfs/dbraw/zinc/57/37/67/968573767.db2.gz BHIKRWNWZVWUQZ-NSHDSACASA-N -1 0 337.370 3.679 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653333875 968666037 /nfs/dbraw/zinc/66/60/37/968666037.db2.gz VAWIVTODLJEVTE-QZTJIDSGSA-N -1 0 337.419 3.685 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc3cc(Cl)ccc3s2)C[C@@H]1C(=O)[O-] ZINC000663057344 968776212 /nfs/dbraw/zinc/77/62/12/968776212.db2.gz KVCPFMYVNJEKPK-CABZTGNLSA-N -1 0 337.828 3.738 20 0 EHADRM Cc1coc(-c2cc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)ccc2C)n1 ZINC000663116877 968819798 /nfs/dbraw/zinc/81/97/98/968819798.db2.gz KQJPTQZRWHLGJI-CQSZACIVSA-N -1 0 330.384 3.644 20 0 EHADRM CC(C)(CC(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21)C(F)(F)F ZINC000669434207 968853341 /nfs/dbraw/zinc/85/33/41/968853341.db2.gz NNDDBNIVHABDPA-LLVKDONJSA-N -1 0 329.318 3.570 20 0 EHADRM CCCCN(C)c1ccc(NC(=O)N2CCC(C)(C(=O)[O-])CC2)cc1 ZINC000843319793 969235807 /nfs/dbraw/zinc/23/58/07/969235807.db2.gz VOZAIYCWVWQQSW-UHFFFAOYSA-N -1 0 347.459 3.642 20 0 EHADRM CCN(C(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C)[C@@H](C)C(=O)[O-] ZINC000851696359 969280199 /nfs/dbraw/zinc/28/01/99/969280199.db2.gz QHDAENDLFFEJIX-HOCLYGCPSA-N -1 0 342.439 3.649 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc(C(F)(F)F)ccc2Cl)C1 ZINC000901656810 969457434 /nfs/dbraw/zinc/45/74/34/969457434.db2.gz OKQJNOAEXNCHSD-IUCAKERBSA-N -1 0 349.736 3.542 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)[C@H](C)c2ccc(Cl)s2)C1 ZINC001341238725 969747468 /nfs/dbraw/zinc/74/74/68/969747468.db2.gz LSFYXWLLBUITEC-BMIGLBTASA-N -1 0 329.849 3.608 20 0 EHADRM O=C([O-])c1cc(NC(=O)/C=C/c2ccccc2Cl)c(F)cc1F ZINC000319665286 970559880 /nfs/dbraw/zinc/55/98/80/970559880.db2.gz HIMVFGXONASQKT-AATRIKPKSA-N -1 0 337.709 3.968 20 0 EHADRM Cc1ccccc1N(CCC(=O)[O-])C(=O)CSCc1cccs1 ZINC000319817076 970575644 /nfs/dbraw/zinc/57/56/44/970575644.db2.gz JMLDOXZOHFWCAU-UHFFFAOYSA-N -1 0 349.477 3.798 20 0 EHADRM Cc1sc(NC(=O)[C@@H](C)Oc2ccccc2F)c(C(=O)[O-])c1C ZINC000319858326 970580942 /nfs/dbraw/zinc/58/09/42/970580942.db2.gz RFQFBJJLIWUQRC-SECBINFHSA-N -1 0 337.372 3.608 20 0 EHADRM Cc1cc(NC(=O)c2cccc(-n3cccc3)c2)sc1C(=O)[O-] ZINC000319969265 970595111 /nfs/dbraw/zinc/59/51/11/970595111.db2.gz JMUDEAYQXHTTBW-UHFFFAOYSA-N -1 0 326.377 3.798 20 0 EHADRM CSc1ccccc1C(=O)N(CCC(=O)[O-])c1ccccc1C ZINC000320101941 970614238 /nfs/dbraw/zinc/61/42/38/970614238.db2.gz VWYQRJBPTXXFIJ-UHFFFAOYSA-N -1 0 329.421 3.838 20 0 EHADRM Cc1sc(NC(=O)c2ccc3ncccc3c2)c(C(=O)[O-])c1C ZINC000320234229 970636122 /nfs/dbraw/zinc/63/61/22/970636122.db2.gz FMDPMIRFBOUAOD-UHFFFAOYSA-N -1 0 326.377 3.864 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1nc(C(C)C)ncc1Cl ZINC000320253654 970638574 /nfs/dbraw/zinc/63/85/74/970638574.db2.gz IQHKWMWPKWXZRU-UHFFFAOYSA-N -1 0 333.775 3.512 20 0 EHADRM Cc1cc(C(=O)[O-])c(NC(=O)c2cc(C)nc3ccccc32)s1 ZINC000320419916 970662177 /nfs/dbraw/zinc/66/21/77/970662177.db2.gz JJQIYPFXOSVDSK-UHFFFAOYSA-N -1 0 326.377 3.864 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1csc(-c2ccco2)n1 ZINC000320544939 970676662 /nfs/dbraw/zinc/67/66/62/970676662.db2.gz CGZYZSFLZNWCDC-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cc(Cl)c3ccccc3n2)c1 ZINC000320671513 970696892 /nfs/dbraw/zinc/69/68/92/970696892.db2.gz XYNWXHNAINZGSP-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM O=C([O-])c1cncc(NC(=O)c2ccccc2SC(F)(F)F)c1 ZINC000320831022 970720054 /nfs/dbraw/zinc/72/00/54/970720054.db2.gz DUMNOIZREITNAQ-UHFFFAOYSA-N -1 0 342.298 3.644 20 0 EHADRM CCc1ccc(NC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1C ZINC000393048524 972559299 /nfs/dbraw/zinc/55/92/99/972559299.db2.gz IJGAKGBWVVPTHC-GOSISDBHSA-N -1 0 338.407 3.773 20 0 EHADRM CSc1ccccc1[C@@H](C)OC(=O)C1(C(=O)[O-])CCSCC1 ZINC001604971430 972561629 /nfs/dbraw/zinc/56/16/29/972561629.db2.gz XZPRRWJSKNXQNC-LLVKDONJSA-N -1 0 340.466 3.611 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000393301556 972582460 /nfs/dbraw/zinc/58/24/60/972582460.db2.gz IHWWEBJEXFMKBF-SCZZXKLOSA-N -1 0 331.199 3.758 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)Nc1ccc([C@H]2CCOC2)cc1 ZINC001605851399 972594667 /nfs/dbraw/zinc/59/46/67/972594667.db2.gz FOALYWPXYXMWGT-ZDUSSCGKSA-N -1 0 326.352 3.533 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N[C@H]1CCOc2c(Cl)cccc21 ZINC001605862902 972616396 /nfs/dbraw/zinc/61/63/96/972616396.db2.gz BAHDQHHURUNUAO-AWEZNQCLSA-N -1 0 346.770 3.684 20 0 EHADRM CC1(C)CCc2c(sc(NC(=O)c3cncs3)c2C(=O)[O-])C1 ZINC001603329153 972688316 /nfs/dbraw/zinc/68/83/16/972688316.db2.gz AWMUHEIPJMTNQE-UHFFFAOYSA-N -1 0 336.438 3.670 20 0 EHADRM O=C([O-])[C@@H](C(=O)N1CCC[C@@H](c2ccccc2)CC1)C1CCCC1 ZINC001605892361 972692289 /nfs/dbraw/zinc/69/22/89/972692289.db2.gz BLPPEUJPRIZHKM-SJLPKXTDSA-N -1 0 329.440 3.674 20 0 EHADRM Cc1c(C(=O)[O-])cc(CNc2ccc(F)c(Br)c2)n1C ZINC000394469126 972714790 /nfs/dbraw/zinc/71/47/90/972714790.db2.gz HYBMFCZGMJRQPB-UHFFFAOYSA-N -1 0 341.180 3.545 20 0 EHADRM C[C@@H]1CCC[C@@H](C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)C1 ZINC000394785215 972758025 /nfs/dbraw/zinc/75/80/25/972758025.db2.gz SZNSZZUBMAXVQD-NXEZZACHSA-N -1 0 340.217 3.912 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001603348243 972764658 /nfs/dbraw/zinc/76/46/58/972764658.db2.gz NYDRXGXLCVCGGM-FQEVSTJZSA-N -1 0 338.407 3.606 20 0 EHADRM O=C([O-])C1(C(=O)N2CCCc3cc(F)c(F)cc32)CCCCCC1 ZINC001605916030 972788786 /nfs/dbraw/zinc/78/87/86/972788786.db2.gz DCOYIYGTQQGATB-UHFFFAOYSA-N -1 0 337.366 3.669 20 0 EHADRM Cc1cc(C(F)(F)F)cc(C)c1NC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001605145361 972822361 /nfs/dbraw/zinc/82/23/61/972822361.db2.gz AQLCWXNIYOCTJP-OAHLLOKOSA-N -1 0 344.333 3.651 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N(C)CCc2cccs2)cc1 ZINC000396348732 972859542 /nfs/dbraw/zinc/85/95/42/972859542.db2.gz CAKPJIZGOIQDGX-GFCCVEGCSA-N -1 0 332.425 3.643 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(-c3ccc(Cl)s3)cn2)CCC1 ZINC001605935027 972869968 /nfs/dbraw/zinc/86/99/68/972869968.db2.gz XAOSYIPVZFRIEI-UHFFFAOYSA-N -1 0 336.800 3.657 20 0 EHADRM CC(C)c1ccc(S(=O)(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cc1 ZINC000396475316 972900038 /nfs/dbraw/zinc/90/00/38/972900038.db2.gz DWUJWXGKDGTPMB-CYBMUJFWSA-N -1 0 347.436 3.799 20 0 EHADRM Cc1cc(C)cc(OCCC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c1 ZINC000396628332 972924749 /nfs/dbraw/zinc/92/47/49/972924749.db2.gz MCKDEEJFXYBHKH-OAHLLOKOSA-N -1 0 341.407 3.899 20 0 EHADRM Cc1ccc(-c2ccc(C)c(NCc3c(C(=O)[O-])cnn3C)c2)o1 ZINC001605231322 972982116 /nfs/dbraw/zinc/98/21/16/972982116.db2.gz IBWMXPSYHKCRLD-UHFFFAOYSA-N -1 0 325.368 3.607 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)N2CCCC3(CCCC3)C2)c2ccccc21 ZINC001605977369 973004083 /nfs/dbraw/zinc/00/40/83/973004083.db2.gz JQJVMRFLVZRMBD-IAGOWNOFSA-N -1 0 342.439 3.665 20 0 EHADRM Cc1ccc(C(C)(C)CNC(=O)[C@H](C(=O)[O-])C2CCCC2)c(C)c1 ZINC001605256323 973025693 /nfs/dbraw/zinc/02/56/93/973025693.db2.gz RYUCWEVATXGDIG-QGZVFWFLSA-N -1 0 331.456 3.588 20 0 EHADRM C[C@H]1CCCN(C(=O)CCCc2ccc(C3CC3)cc2)[C@H]1C(=O)[O-] ZINC001603407692 973072909 /nfs/dbraw/zinc/07/29/09/973072909.db2.gz OLFYXJFXAXMYJM-IFXJQAMLSA-N -1 0 329.440 3.598 20 0 EHADRM COC(=O)c1cc(NC2CCC(C(=O)[O-])CC2)cc2ccccc21 ZINC001604376427 973096153 /nfs/dbraw/zinc/09/61/53/973096153.db2.gz VKCSXKBKYSYLJO-UHFFFAOYSA-N -1 0 327.380 3.682 20 0 EHADRM Cc1ccc(OC(=O)c2coc(C=CC(=O)[O-])c2)c2c1[C@H](C)CC2=O ZINC001605297041 973110037 /nfs/dbraw/zinc/11/00/37/973110037.db2.gz UJINLTXJGYHANS-DUMNWFOQSA-N -1 0 340.331 3.595 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)C[C@@H]1C(=O)[O-] ZINC001603425100 973143006 /nfs/dbraw/zinc/14/30/06/973143006.db2.gz DOOXGNSOYKFZCB-SCZZXKLOSA-N -1 0 349.736 3.542 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1cccc2c1OCC2(C)C ZINC001605321542 973160307 /nfs/dbraw/zinc/16/03/07/973160307.db2.gz JDIBVWZCXNPAMR-UHFFFAOYSA-N -1 0 325.364 3.616 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)NC[C@@H]2CCC[C@H]2c2ccccc2)co1 ZINC001606062320 973180793 /nfs/dbraw/zinc/18/07/93/973180793.db2.gz CFXKCIBBRIGRIL-VWRGOOCTSA-N -1 0 339.391 3.691 20 0 EHADRM Cc1cccc(C)c1CCNC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001605335553 973217769 /nfs/dbraw/zinc/21/77/69/973217769.db2.gz HSMTXNGNNPXFFK-UHFFFAOYSA-N -1 0 340.423 3.685 20 0 EHADRM Cc1cccc(NCc2cccc(C(=O)[O-])c2)c1C(=O)N1CCCC1 ZINC001605344981 973234074 /nfs/dbraw/zinc/23/40/74/973234074.db2.gz KFOUKMOPRNBLRQ-UHFFFAOYSA-N -1 0 338.407 3.541 20 0 EHADRM Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001605347823 973245431 /nfs/dbraw/zinc/24/54/31/973245431.db2.gz TZBBLLQVLJDIKX-GJZGRUSLSA-N -1 0 329.440 3.689 20 0 EHADRM Cc1cccc2cc(C(=O)N[C@H](Cc3ccccc3)C(=O)[O-])sc21 ZINC001605349827 973249725 /nfs/dbraw/zinc/24/97/25/973249725.db2.gz IVVSNKHOXBOXTK-OAHLLOKOSA-N -1 0 339.416 3.635 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)c1sc2cccc(F)c2c1C)C(=O)[O-] ZINC000400707453 973310031 /nfs/dbraw/zinc/31/00/31/973310031.db2.gz GXQHAMGCTIFELT-CABZTGNLSA-N -1 0 337.416 3.968 20 0 EHADRM Cc1cnc2c(NC(=O)N(C)CCCC(=O)[O-])cccc2c1Cl ZINC001605376580 973333753 /nfs/dbraw/zinc/33/37/53/973333753.db2.gz YLQYMTZBKLZGEI-UHFFFAOYSA-N -1 0 335.791 3.525 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N(C)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001603520148 973546414 /nfs/dbraw/zinc/54/64/14/973546414.db2.gz PTIRVXFPENFLJQ-JKSUJKDBSA-N -1 0 347.455 3.582 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)NCCCc1cccc(C(F)(F)F)c1 ZINC001603522483 973553196 /nfs/dbraw/zinc/55/31/96/973553196.db2.gz NEDXGSRLAZJACD-UHFFFAOYSA-N -1 0 345.361 3.645 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OCCc1c(F)cccc1F ZINC000402103430 973596318 /nfs/dbraw/zinc/59/63/18/973596318.db2.gz ROEITPPFNRLVHJ-SOFGYWHQSA-N -1 0 334.318 3.693 20 0 EHADRM O=C([O-])COc1cccc(C(=O)O[C@@H]2CCc3c2cccc3Cl)c1 ZINC001606291237 973692682 /nfs/dbraw/zinc/69/26/82/973692682.db2.gz BNZXRMJPHIKMOV-MRXNPFEDSA-N -1 0 346.766 3.648 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccnc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001603581995 973739532 /nfs/dbraw/zinc/73/95/32/973739532.db2.gz FNHRHZVPZOSAIL-CYBMUJFWSA-N -1 0 333.775 3.706 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(C)c2O)sc1C ZINC000538012040 1032084178 /nfs/dbraw/zinc/08/41/78/1032084178.db2.gz KJGWYTLUZXBKLL-UHFFFAOYSA-N -1 0 331.846 3.833 20 0 EHADRM CC[C@H](OC(=O)c1coc(/C=C/C(=O)[O-])c1)c1cccc(OC)c1 ZINC001603594019 973815466 /nfs/dbraw/zinc/81/54/66/973815466.db2.gz VCTDVNUODMABMS-WAVCKPEOSA-N -1 0 330.336 3.694 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC001606400327 973855258 /nfs/dbraw/zinc/85/52/58/973855258.db2.gz ZRDODZQURZWRKA-LCGIIJARSA-N -1 0 335.831 3.593 20 0 EHADRM CC[C@@H]1CCc2nc(NC(=O)c3coc(/C=C/C(=O)[O-])c3)sc2C1 ZINC001603624975 973933694 /nfs/dbraw/zinc/93/36/94/973933694.db2.gz RQZOSBHMODBLBP-DFVUYQKZSA-N -1 0 346.408 3.601 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cnc(C(C)(C)C)s2)c1 ZINC000414447318 973940019 /nfs/dbraw/zinc/94/00/19/973940019.db2.gz KNKYPMXEZHGOJS-JTQLQIEISA-N -1 0 332.425 3.881 20 0 EHADRM CC[C@H]1Cc2ccccc2CN1C(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001603628398 973947131 /nfs/dbraw/zinc/94/71/31/973947131.db2.gz JUDZMYJZHKUCQM-YJBOKZPZSA-N -1 0 346.471 3.670 20 0 EHADRM C[C@H](Cc1ccc(NCc2cnc(C(C)(C)C)nc2)cc1)C(=O)[O-] ZINC000417610172 973965751 /nfs/dbraw/zinc/96/57/51/973965751.db2.gz MQIUMVVGUYTYDI-CYBMUJFWSA-N -1 0 327.428 3.649 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001604765235 973988491 /nfs/dbraw/zinc/98/84/91/973988491.db2.gz WBZOQDNBVJVSFI-AWEZNQCLSA-N -1 0 336.432 3.614 20 0 EHADRM O=C([O-])c1cccc(C(=O)O[C@H](c2ccccc2)c2ccccn2)c1 ZINC001606509363 974000419 /nfs/dbraw/zinc/00/04/19/974000419.db2.gz CDXLCHHZSYYKDV-GOSISDBHSA-N -1 0 333.343 3.726 20 0 EHADRM O=C([O-])c1cccc(NCc2cccnc2Oc2cccc(F)c2)n1 ZINC001606517586 974013275 /nfs/dbraw/zinc/01/32/75/974013275.db2.gz SFXLLNDKHIYMGB-UHFFFAOYSA-N -1 0 339.326 3.718 20 0 EHADRM C[C@@H](NC(=O)NCCC(C)(C)C(=O)[O-])c1cc(Cl)ccc1Cl ZINC000424392804 974025985 /nfs/dbraw/zinc/02/59/85/974025985.db2.gz KIWILBJVEGDYQK-SECBINFHSA-N -1 0 347.242 3.855 20 0 EHADRM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424393637 974027199 /nfs/dbraw/zinc/02/71/99/974027199.db2.gz AYZHAULKRVTODI-IRXDYDNUSA-N -1 0 346.471 3.855 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001606523257 974028020 /nfs/dbraw/zinc/02/80/20/974028020.db2.gz FSAYXMJFORDOJB-VXGBXAGGSA-N -1 0 335.812 3.520 20 0 EHADRM COc1ccc(N(C(=O)Cc2ccccc2C(=O)[O-])C(C)C)cc1F ZINC001604806415 974043641 /nfs/dbraw/zinc/04/36/41/974043641.db2.gz PDAHDVOTLDBXAF-UHFFFAOYSA-N -1 0 345.370 3.517 20 0 EHADRM O=C([O-])[C@@H](NCc1ccc(OC(F)(F)F)cc1)c1cccs1 ZINC000426785027 974047989 /nfs/dbraw/zinc/04/79/89/974047989.db2.gz OIJNOBTYPBEZCS-LBPRGKRZSA-N -1 0 331.315 3.562 20 0 EHADRM CC(C)(CNC(=O)c1cccc(Oc2ccc(Cl)cc2)c1)C(=O)[O-] ZINC000431527860 974067771 /nfs/dbraw/zinc/06/77/71/974067771.db2.gz HMOCKRBCVVMFCG-UHFFFAOYSA-N -1 0 347.798 3.973 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)c2cc(C)c(C)cc2Cl)C(=O)[O-])cc1 ZINC000431530613 974067879 /nfs/dbraw/zinc/06/78/79/974067879.db2.gz HVSFMNLRWORVIE-MRXNPFEDSA-N -1 0 345.826 3.863 20 0 EHADRM Cc1ccc([C@H](CNC(=O)c2cc(C)c(C)cc2Cl)C(=O)[O-])cc1 ZINC000431530612 974068049 /nfs/dbraw/zinc/06/80/49/974068049.db2.gz HVSFMNLRWORVIE-INIZCTEOSA-N -1 0 345.826 3.863 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000431874734 974077465 /nfs/dbraw/zinc/07/74/65/974077465.db2.gz FVCHPCDYLWYWBK-PMPSAXMXSA-N -1 0 339.476 3.512 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)CSc2ccc(F)cc2)cc1)C(=O)[O-] ZINC000432002589 974084549 /nfs/dbraw/zinc/08/45/49/974084549.db2.gz WGPAGNTXKYVKES-GFCCVEGCSA-N -1 0 347.411 3.820 20 0 EHADRM C[C@@]1(NC(=O)c2ccc3ccc(Cl)cc3n2)CCCC[C@H]1C(=O)[O-] ZINC000432105047 974086534 /nfs/dbraw/zinc/08/65/34/974086534.db2.gz CMOILRFAFDDPNY-SCLBCKFNSA-N -1 0 346.814 3.652 20 0 EHADRM Cc1ccc(-c2ncco2)cc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000432110619 974087685 /nfs/dbraw/zinc/08/76/85/974087685.db2.gz UJJLKZJVBGJMTL-UHFFFAOYSA-N -1 0 336.347 3.529 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 ZINC000432113932 974088838 /nfs/dbraw/zinc/08/88/38/974088838.db2.gz AOYVFGBMVVPLNK-LSDHHAIUSA-N -1 0 331.755 3.792 20 0 EHADRM CCCc1cnc(NC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)s1 ZINC001603692903 974089789 /nfs/dbraw/zinc/08/97/89/974089789.db2.gz RVNCBKRPIYFIFV-UONOGXRCSA-N -1 0 345.424 3.530 20 0 EHADRM Cc1ccc(SCC(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])c(C)c1 ZINC000432124968 974090294 /nfs/dbraw/zinc/09/02/94/974090294.db2.gz DUPVJWALWBSPKU-RDTXWAMCSA-N -1 0 335.469 3.545 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2/C=C\c2ccccc2)s1 ZINC000432128876 974091616 /nfs/dbraw/zinc/09/16/16/974091616.db2.gz HWOXNOBCJNEIKW-CKXPSTMWSA-N -1 0 327.405 3.764 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2/C=C/c2ccccc2)c(F)c1 ZINC000432129171 974091726 /nfs/dbraw/zinc/09/17/26/974091726.db2.gz JOBMCQGCLNKWNS-XAVKZTDYSA-N -1 0 339.366 3.842 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2ccc(OCC3CCCCC3)cc2)C1 ZINC000435715561 974097113 /nfs/dbraw/zinc/09/71/13/974097113.db2.gz BLIGCQBFVPMYAN-SJORKVTESA-N -1 0 345.439 3.629 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)Nc2ccnc(C(=O)[O-])c2)c1 ZINC001604856915 974100002 /nfs/dbraw/zinc/10/00/02/974100002.db2.gz JRHANJUCELRVMN-CYBMUJFWSA-N -1 0 342.395 3.701 20 0 EHADRM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000439792089 974110267 /nfs/dbraw/zinc/11/02/67/974110267.db2.gz MDWIRHVSVOUELS-SUMWQHHRSA-N -1 0 327.380 3.900 20 0 EHADRM CCN(C(=O)c1ccc(Oc2ccccc2)cc1C)[C@H](C)C(=O)[O-] ZINC001603714507 974125730 /nfs/dbraw/zinc/12/57/30/974125730.db2.gz LUCQITYRBNMVNZ-CQSZACIVSA-N -1 0 327.380 3.723 20 0 EHADRM C[C@@H](NC(=O)c1sccc1C1CC1)c1ccc(OCC(=O)[O-])cc1 ZINC000455883944 974162099 /nfs/dbraw/zinc/16/20/99/974162099.db2.gz LPFVENRYCAVWPH-LLVKDONJSA-N -1 0 345.420 3.580 20 0 EHADRM Cc1cccc(C(=O)N[C@H](C)[C@H](Cc2ccccc2)C(=O)[O-])c1Cl ZINC000455907040 974166158 /nfs/dbraw/zinc/16/61/58/974166158.db2.gz ACZRGJYZRUCNDT-CJNGLKHVSA-N -1 0 345.826 3.710 20 0 EHADRM CSc1ccsc1C(=O)N[C@@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000455919078 974169208 /nfs/dbraw/zinc/16/92/08/974169208.db2.gz DWMKWYUGYPYELG-WCQYABFASA-N -1 0 349.477 3.532 20 0 EHADRM CCCC[C@H](C)C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000455930078 974171478 /nfs/dbraw/zinc/17/14/78/974171478.db2.gz NVMJHTRIPHAFSW-GWCFXTLKSA-N -1 0 331.334 3.931 20 0 EHADRM Cc1cc(C)c(C(=O)N[C@H](C)[C@H](Cc2ccccc2)C(=O)[O-])c(C)c1 ZINC000455931002 974172381 /nfs/dbraw/zinc/17/23/81/974172381.db2.gz IPALLHYESIKWDJ-AEFFLSMTSA-N -1 0 339.435 3.674 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cc(-c2ccccc2)no1 ZINC000471980115 974197806 /nfs/dbraw/zinc/19/78/06/974197806.db2.gz QOCUIWPCFZWFDN-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)c3cccc4c3OCO4)ccc2s1 ZINC000485321808 974226673 /nfs/dbraw/zinc/22/66/73/974226673.db2.gz QQGFHRYRAUECDB-UHFFFAOYSA-N -1 0 341.344 3.581 20 0 EHADRM CCn1c(C(=O)NC2(CC(=O)[O-])CCCCC2)cc2ccccc21 ZINC000532255851 974372933 /nfs/dbraw/zinc/37/29/33/974372933.db2.gz QVLCOYFDUGILHZ-UHFFFAOYSA-N -1 0 328.412 3.569 20 0 EHADRM Cc1cccc(C2(NC(=O)Cc3ccccc3C(=O)[O-])CCCC2)c1 ZINC000537474956 974384469 /nfs/dbraw/zinc/38/44/69/974384469.db2.gz IFMUSVXQGYERTM-UHFFFAOYSA-N -1 0 337.419 3.821 20 0 EHADRM CC(C)(C(=O)NCC1(CC(=O)[O-])CCCCC1)c1ccc(F)cc1 ZINC000537475419 974385140 /nfs/dbraw/zinc/38/51/40/974385140.db2.gz MNBIDMOPBPSOPG-UHFFFAOYSA-N -1 0 335.419 3.645 20 0 EHADRM CCN(C(=O)c1ccc(C(=O)[O-])o1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000538577730 974391672 /nfs/dbraw/zinc/39/16/72/974391672.db2.gz FEDXQVAPKHHPCD-HNNXBMFYSA-N -1 0 347.386 3.846 20 0 EHADRM C[C@H]1CCCC[C@@H]1CC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000539572432 974395264 /nfs/dbraw/zinc/39/52/64/974395264.db2.gz DGUFQZKCVHTBEV-NWDGAFQWSA-N -1 0 339.819 3.958 20 0 EHADRM Cc1ccc(NC(=O)CCc2ccccc2C(=O)[O-])cc1OC(F)F ZINC000539677925 974400112 /nfs/dbraw/zinc/40/01/12/974400112.db2.gz OZZUDKHVVGCVEP-UHFFFAOYSA-N -1 0 349.333 3.866 20 0 EHADRM Cc1ccc(SCC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000540671772 974404352 /nfs/dbraw/zinc/40/43/52/974404352.db2.gz GXLUAQCWQCQJDU-UHFFFAOYSA-N -1 0 343.448 3.752 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)Nc2ccc(CC(=O)[O-])cc2)ccc1Cl ZINC000541574904 974411502 /nfs/dbraw/zinc/41/15/02/974411502.db2.gz KFDHDIXBAYMYPB-GFCCVEGCSA-N -1 0 347.798 3.682 20 0 EHADRM CCc1ccc([C@H](NC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)C(C)C)cc1 ZINC001603969134 974454485 /nfs/dbraw/zinc/45/44/85/974454485.db2.gz ZGWOKGQCNUXMQO-JCGIZDLHSA-N -1 0 346.471 3.698 20 0 EHADRM CCc1cc2c(nc(C)nc2N2CCC[C@@](CC)(C(=O)[O-])C2)s1 ZINC001603969511 974457260 /nfs/dbraw/zinc/45/72/60/974457260.db2.gz NDPQYIACZAMKNZ-QGZVFWFLSA-N -1 0 333.457 3.643 20 0 EHADRM Cc1ccc(CC(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)o1 ZINC000558001156 974492998 /nfs/dbraw/zinc/49/29/98/974492998.db2.gz CAWAWYVAMZVMAJ-KRWDZBQOSA-N -1 0 343.423 3.760 20 0 EHADRM Cc1ccc(C[C@@H]2CCC[N@H+](Cc3nc(C(=O)[O-])cs3)C2)cc1 ZINC000563278725 974525264 /nfs/dbraw/zinc/52/52/64/974525264.db2.gz MCXCDOPMSXOXLO-HNNXBMFYSA-N -1 0 330.453 3.604 20 0 EHADRM CCOc1cccc2cc([C@H](C)NC(=O)C[C@H](C)CC(=O)[O-])oc21 ZINC000563422943 974530809 /nfs/dbraw/zinc/53/08/09/974530809.db2.gz IWVALYFNTSNCQF-RYUDHWBXSA-N -1 0 333.384 3.510 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000564669392 974551883 /nfs/dbraw/zinc/55/18/83/974551883.db2.gz JCNVUXNIZJYNGF-HIRMHNASSA-N -1 0 347.455 3.550 20 0 EHADRM O=C([O-])[C@H](CNC(=O)C1CCC(c2ccccc2)CC1)CC1CC1 ZINC000565838727 974590008 /nfs/dbraw/zinc/59/00/08/974590008.db2.gz RGHYPIDPXOEHOT-ABHNRTSZSA-N -1 0 329.440 3.578 20 0 EHADRM COc1cccc(-c2nc(CN3CC[C@@H](C)C[C@@H]3C(=O)[O-])cs2)c1 ZINC000566367349 974611955 /nfs/dbraw/zinc/61/19/55/974611955.db2.gz DKURSKYVCDNKAV-MLGOLLRUSA-N -1 0 346.452 3.504 20 0 EHADRM O=C([O-])c1ccc(CN2CCO[C@H](c3ccccc3)C2)cc1Cl ZINC000568060142 974656016 /nfs/dbraw/zinc/65/60/16/974656016.db2.gz SIQUDRHJPYFNTJ-KRWDZBQOSA-N -1 0 331.799 3.612 20 0 EHADRM Cc1ccccc1[C@H](C(=O)[O-])N1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000569700541 974697042 /nfs/dbraw/zinc/69/70/42/974697042.db2.gz AZKQCJYPOXEDOW-ZYSHUDEJSA-N -1 0 325.408 3.583 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1nc(C2CCCC2)no1 ZINC000571582999 974732289 /nfs/dbraw/zinc/73/22/89/974732289.db2.gz PNXWDXUVOAHDFW-MRXNPFEDSA-N -1 0 343.427 3.765 20 0 EHADRM CC(C)Oc1ccc2ccccc2c1CNC(=O)C[C@@H](C)CC(=O)[O-] ZINC000571896199 974737758 /nfs/dbraw/zinc/73/77/58/974737758.db2.gz ZFEMTXRLKJNYPZ-CQSZACIVSA-N -1 0 343.423 3.744 20 0 EHADRM O=C([O-])Cc1ccc(-c2cc(F)ccc2OC[C@@H]2CCCO2)cc1 ZINC000572258544 974744708 /nfs/dbraw/zinc/74/47/08/974744708.db2.gz RCBIDDGNDAQAIS-INIZCTEOSA-N -1 0 330.355 3.678 20 0 EHADRM CC(C)(C)c1cnc(CN2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)o1 ZINC000572379887 974747287 /nfs/dbraw/zinc/74/72/87/974747287.db2.gz STRQIUGFOAJSCO-GJZGRUSLSA-N -1 0 328.412 3.762 20 0 EHADRM CC(C)(c1ccccc1)C1(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000572424423 974748191 /nfs/dbraw/zinc/74/81/91/974748191.db2.gz GNBLQZWIWLQFFZ-GJZGRUSLSA-N -1 0 329.440 3.504 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)Cc1ccc(-c2ccccc2)cc1)CC1CC1 ZINC000573571232 974768134 /nfs/dbraw/zinc/76/81/34/974768134.db2.gz SEJZHFRPFHJNDZ-LJQANCHMSA-N -1 0 337.419 3.513 20 0 EHADRM O=C([O-])c1csc(CN(C2CC2)[C@@H]2CCCc3ccccc32)n1 ZINC000575188002 974796582 /nfs/dbraw/zinc/79/65/82/974796582.db2.gz DQLYPTUIFSOQHG-MRXNPFEDSA-N -1 0 328.437 3.883 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)c2ccccc2Cl)c(C)s1 ZINC000049501696 1014216989 /nfs/dbraw/zinc/21/69/89/1014216989.db2.gz KVAPSZJURWEDHO-UHFFFAOYSA-N -1 0 329.830 3.712 20 0 EHADRM Cc1ccc(CN(C)[C@@H](C(=O)[O-])c2cccc(Br)c2)o1 ZINC000576522257 974816175 /nfs/dbraw/zinc/81/61/75/974816175.db2.gz CETZNPQUVFOBHO-CQSZACIVSA-N -1 0 338.201 3.608 20 0 EHADRM CCc1ccc([C@H]2CN([C@H](C)c3cc(C)c(C(=O)[O-])o3)CCO2)cc1 ZINC000577285030 974833684 /nfs/dbraw/zinc/83/36/84/974833684.db2.gz HLFSABBQEJMVQO-RDTXWAMCSA-N -1 0 343.423 3.983 20 0 EHADRM COc1cc(-c2cc(F)ccc2OC[C@@H]2CCCO2)ccc1C(=O)[O-] ZINC000577887027 974844400 /nfs/dbraw/zinc/84/44/00/974844400.db2.gz AZPHNSCCOXEUIH-AWEZNQCLSA-N -1 0 346.354 3.757 20 0 EHADRM CCCO[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC000581315636 974908556 /nfs/dbraw/zinc/90/85/56/974908556.db2.gz LUFYGIQVZSUVMZ-AWEZNQCLSA-N -1 0 325.836 3.819 20 0 EHADRM Cc1cc(C(=O)N[C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)oc1C ZINC000582948060 974933867 /nfs/dbraw/zinc/93/38/67/974933867.db2.gz KJJXEVXDESXRRP-ZDUSSCGKSA-N -1 0 341.285 3.628 20 0 EHADRM CC[C@H](C(=O)NCC1(CC(=O)[O-])CCCCC1)c1ccc(F)cc1 ZINC000583180774 974936978 /nfs/dbraw/zinc/93/69/78/974936978.db2.gz FJABMGBKCBZXOM-INIZCTEOSA-N -1 0 335.419 3.861 20 0 EHADRM Cc1cc([C@@H](C)N2CCO[C@@](C)(c3ccccc3)C2)oc1C(=O)[O-] ZINC000583636237 974943708 /nfs/dbraw/zinc/94/37/08/974943708.db2.gz OIDFDXLKIGPKDZ-AUUYWEPGSA-N -1 0 329.396 3.595 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2cnc(C3CC3)s2)cc1)C(=O)[O-] ZINC000584030605 974949445 /nfs/dbraw/zinc/94/94/45/974949445.db2.gz BKEWGIFQJHIFPP-JTQLQIEISA-N -1 0 330.409 3.536 20 0 EHADRM Cc1c(NC(=O)c2ccc(OCC3CC3)cc2)cccc1C(=O)[O-] ZINC000619595673 975025555 /nfs/dbraw/zinc/02/55/55/975025555.db2.gz QQQCHIFKMZESMV-UHFFFAOYSA-N -1 0 325.364 3.734 20 0 EHADRM O=C([O-])[C@@H]1CCCCCN1C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000621566632 975033620 /nfs/dbraw/zinc/03/36/20/975033620.db2.gz WUTXFXPLXKNURW-AWEZNQCLSA-N -1 0 331.343 3.555 20 0 EHADRM CC(C)c1ncc(C(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)s1 ZINC000621588943 975046863 /nfs/dbraw/zinc/04/68/63/975046863.db2.gz KARNRJOXWNCLSS-KBPBESRZSA-N -1 0 344.436 3.697 20 0 EHADRM Cc1cccc2sc(C(=O)N(C)C[C@H](C)C(=O)[O-])c(Cl)c21 ZINC000621590407 975047454 /nfs/dbraw/zinc/04/74/54/975047454.db2.gz KAPLGAURWNKOHT-VIFPVBQESA-N -1 0 325.817 3.656 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000621611344 975060172 /nfs/dbraw/zinc/06/01/72/975060172.db2.gz ASAZGCQMTZDGAR-CHWSQXEVSA-N -1 0 346.452 3.596 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ncc(C(=O)[O-])s1 ZINC000621611458 975060637 /nfs/dbraw/zinc/06/06/37/975060637.db2.gz CVQVNAKPYJFNJB-UMSGYPCISA-N -1 0 336.457 3.625 20 0 EHADRM CC(C)N(CC(=O)[O-])Cc1coc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000629360937 975082818 /nfs/dbraw/zinc/08/28/18/975082818.db2.gz XVDFZSALYLRDQW-UHFFFAOYSA-N -1 0 343.210 3.943 20 0 EHADRM Cc1cc(C(=O)N2CCSC[C@@H]2c2ccc(C)cc2)oc1C(=O)[O-] ZINC000630118078 975109305 /nfs/dbraw/zinc/10/93/05/975109305.db2.gz DHYYQJGDTBMHGA-CQSZACIVSA-N -1 0 345.420 3.525 20 0 EHADRM Cc1oc(CN(C)C(=O)c2csc(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000630131847 975116352 /nfs/dbraw/zinc/11/63/52/975116352.db2.gz KCYDAIGEBIXMHH-UHFFFAOYSA-N -1 0 347.314 3.639 20 0 EHADRM CCCc1ccc(C(=O)Nc2cc(C(=O)[O-])cc(OC)c2OC)s1 ZINC000630131459 975116456 /nfs/dbraw/zinc/11/64/56/975116456.db2.gz OYPZBLIYYSTOOI-UHFFFAOYSA-N -1 0 349.408 3.668 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C1(C)CCC(F)(F)CC1 ZINC000630134837 975119267 /nfs/dbraw/zinc/11/92/67/975119267.db2.gz CWBZNDRIBMSKPT-UHFFFAOYSA-N -1 0 325.355 3.559 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@H]2c2cc(C)ccc2C)oc1C(=O)[O-] ZINC000630151624 975131557 /nfs/dbraw/zinc/13/15/57/975131557.db2.gz CFIKMDSDFYJNDX-HNNXBMFYSA-N -1 0 327.380 3.880 20 0 EHADRM C[C@@H](CN(C(=O)Cc1cc(Cl)cc2ccccc21)C1CC1)C(=O)[O-] ZINC000630156145 975133631 /nfs/dbraw/zinc/13/36/31/975133631.db2.gz CVNSKDMGKMIBFA-LBPRGKRZSA-N -1 0 345.826 3.747 20 0 EHADRM CCC[C@H](C(=O)NCC1(CC(=O)[O-])CCCCC1)c1ccccn1 ZINC000630158890 975134740 /nfs/dbraw/zinc/13/47/40/975134740.db2.gz PRVGXBTWMHVBMY-HNNXBMFYSA-N -1 0 332.444 3.507 20 0 EHADRM Cc1cc(C(=O)N2CC[C@H](c3cc(C)cc(C)c3)C2)oc1C(=O)[O-] ZINC000630166573 975139606 /nfs/dbraw/zinc/13/96/06/975139606.db2.gz FJMFRMCYGJSQSC-AWEZNQCLSA-N -1 0 327.380 3.533 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC000630235830 975182129 /nfs/dbraw/zinc/18/21/29/975182129.db2.gz IVEQHVZDDZXTMB-LBPRGKRZSA-N -1 0 344.411 3.933 20 0 EHADRM CC(C)=C[C@H]1[C@H](C(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)C1(C)C ZINC000630237591 975182977 /nfs/dbraw/zinc/18/29/77/975182977.db2.gz CLTJUNIWLUNRKN-DOTOQJQBSA-N -1 0 345.414 3.647 20 0 EHADRM C[C@@H](CC1CCCC1)C(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000630240580 975185544 /nfs/dbraw/zinc/18/55/44/975185544.db2.gz NBNAPAXVJFSLLB-LBPRGKRZSA-N -1 0 333.403 3.625 20 0 EHADRM C[C@@H](Oc1ccc(NC(=O)C(C)(C)c2ccccc2)cc1F)C(=O)[O-] ZINC000630258675 975202358 /nfs/dbraw/zinc/20/23/58/975202358.db2.gz FWBFLWZPWQZPDB-GFCCVEGCSA-N -1 0 345.370 3.594 20 0 EHADRM O=C([O-])[C@H](CNC(=O)CC1CCC(F)(F)CC1)C1CCCCC1 ZINC000630264079 975207054 /nfs/dbraw/zinc/20/70/54/975207054.db2.gz AJEHXCQUPCFKJD-CQSZACIVSA-N -1 0 331.403 3.599 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCCCCc2cccs2)[C@H]2CCC[C@@H]21 ZINC000630277320 975221839 /nfs/dbraw/zinc/22/18/39/975221839.db2.gz FSNFXLVFADKGHU-ZACQAIPSSA-N -1 0 349.496 3.953 20 0 EHADRM Cc1ccc(C)c(S([O-])=CC(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000107967168 1014244890 /nfs/dbraw/zinc/24/48/90/1014244890.db2.gz GDCFCRDWWJRNDN-MHECFPHRSA-N -1 0 341.476 3.605 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2[nH]c3ccccc3c2Cl)[C@@H]2CCC[C@H]21 ZINC000630284019 975228953 /nfs/dbraw/zinc/22/89/53/975228953.db2.gz VTJSMDGMNDVDPF-MISXGVKJSA-N -1 0 346.814 3.537 20 0 EHADRM C[C@H]1CC[C@H](CCC(=O)Nc2ccc(C(=O)[O-])c3ccccc23)O1 ZINC000630285966 975230527 /nfs/dbraw/zinc/23/05/27/975230527.db2.gz FYDGYVBBOPCQKK-QWHCGFSZSA-N -1 0 327.380 3.824 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(C3CCC3)cc2)[C@H]2CCC[C@H]21 ZINC000630286968 975231137 /nfs/dbraw/zinc/23/11/37/975231137.db2.gz VAWQJIBTHJTXSX-KSZLIROESA-N -1 0 327.424 3.670 20 0 EHADRM Cc1ccc([C@@H](C)N(C)C(=O)Cc2cccc(C(=O)[O-])c2)c(C)c1 ZINC000630289221 975232393 /nfs/dbraw/zinc/23/23/93/975232393.db2.gz QSLCKOPNUCAEBC-OAHLLOKOSA-N -1 0 325.408 3.764 20 0 EHADRM CC(C)COc1cccc(NC(=O)CCc2ccccc2C(=O)[O-])c1 ZINC000630290718 975232952 /nfs/dbraw/zinc/23/29/52/975232952.db2.gz ZASJZOWPPXEMOL-UHFFFAOYSA-N -1 0 341.407 3.991 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)c1 ZINC000630293940 975234268 /nfs/dbraw/zinc/23/42/68/975234268.db2.gz FZQONBNXRLGIRC-IEBWSBKVSA-N -1 0 337.419 3.770 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N[C@H]2CCC[C@H](c3ccccc3)C2)c1 ZINC000630293939 975234456 /nfs/dbraw/zinc/23/44/56/975234456.db2.gz FZQONBNXRLGIRC-HKUYNNGSSA-N -1 0 337.419 3.770 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)CC1 ZINC000630294317 975234883 /nfs/dbraw/zinc/23/48/83/975234883.db2.gz LJWBFUSDAGABHD-XLAORIBOSA-N -1 0 329.440 3.720 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1[C@H](C)C[C@@H](c2ccccc2)[C@@H]1C ZINC000630295732 975235649 /nfs/dbraw/zinc/23/56/49/975235649.db2.gz VBWRVUZMIVRGHX-TYNCELHUSA-N -1 0 327.380 3.693 20 0 EHADRM CC[C@H](c1ccccc1OC)N(C)C(=O)c1cc(C(=O)[O-])oc1C ZINC000630296335 975235659 /nfs/dbraw/zinc/23/56/59/975235659.db2.gz VIUJAMRPFMDCAD-CQSZACIVSA-N -1 0 331.368 3.518 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CCC(c3cccc(Cl)c3)CC2)C1 ZINC000630296377 975235947 /nfs/dbraw/zinc/23/59/47/975235947.db2.gz BQZFKFBKDDEQKN-CVEARBPZSA-N -1 0 349.858 3.937 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N(C)[C@@H]1CCC(C)(C)C1)C(=O)[O-] ZINC000630302665 975240221 /nfs/dbraw/zinc/24/02/21/975240221.db2.gz GVVTULAPXCFNGI-CHWSQXEVSA-N -1 0 335.469 3.903 20 0 EHADRM O=C([O-])C12CCC(CC1)N2C(=O)c1cc2c(s1)CCCCCC2 ZINC000630325310 975252986 /nfs/dbraw/zinc/25/29/86/975252986.db2.gz NRESURSHEZTMBR-UHFFFAOYSA-N -1 0 333.453 3.629 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000630328654 975256108 /nfs/dbraw/zinc/25/61/08/975256108.db2.gz QZUDCUPKPIYDIE-OCBCSQNSSA-N -1 0 341.382 3.831 20 0 EHADRM Cc1cccc(C[C@]2(C)CCCN2C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000630340634 975263255 /nfs/dbraw/zinc/26/32/55/975263255.db2.gz HYKLDUZFUFJPNE-WFXMLNOXSA-N -1 0 343.467 3.810 20 0 EHADRM CC(=O)Nc1cccc(CNc2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC000630458596 975265714 /nfs/dbraw/zinc/26/57/14/975265714.db2.gz BUCFMUMQSBWGNH-ZDUSSCGKSA-N -1 0 326.396 3.520 20 0 EHADRM CCCC[C@@H](C(=O)[O-])[N@@H+]1CCc2cc(C)cc(Br)c2C1 ZINC000634692694 975273472 /nfs/dbraw/zinc/27/34/72/975273472.db2.gz GSFSYYRHWXBJJF-HNNXBMFYSA-N -1 0 340.261 3.759 20 0 EHADRM CC(C)OCc1ccc(NC(=O)CC2(CC(=O)[O-])CCCC2)cc1 ZINC000634940867 975281880 /nfs/dbraw/zinc/28/18/80/975281880.db2.gz PESUASFIPJJQMN-UHFFFAOYSA-N -1 0 333.428 3.975 20 0 EHADRM CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1ccc(C(=O)[O-])c(F)c1 ZINC000639411912 975286635 /nfs/dbraw/zinc/28/66/35/975286635.db2.gz GCASBWOKJGDRNT-OAHLLOKOSA-N -1 0 348.761 3.764 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@@H](c2ccccc2)C(C)C)c(C)c1 ZINC000107968633 1014249913 /nfs/dbraw/zinc/24/99/13/1014249913.db2.gz MHWVSMIGKGUARY-YKSBVNFPSA-N -1 0 343.492 3.925 20 0 EHADRM C[C@H](CC(=O)N1CCc2cccc(C(=O)[O-])c2C1)c1ccc(F)cc1 ZINC000649258169 975399323 /nfs/dbraw/zinc/39/93/23/975399323.db2.gz JZWUNWWYXVLUCZ-CYBMUJFWSA-N -1 0 341.382 3.602 20 0 EHADRM CC1(C)C[C@@H](c2ccccc2)N(C(=O)c2cccc(CC(=O)[O-])c2)C1 ZINC000649265905 975406161 /nfs/dbraw/zinc/40/61/61/975406161.db2.gz RULZLXJUZWHICL-SFHVURJKSA-N -1 0 337.419 3.927 20 0 EHADRM C[C@@H]1SCC[C@H]1NC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000649265680 975406426 /nfs/dbraw/zinc/40/64/26/975406426.db2.gz MVAIXXJPOIIBPZ-YVEFUNNKSA-N -1 0 341.432 3.676 20 0 EHADRM CC(C)O[C@H](C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1)c1ccccc1 ZINC001591686224 975494149 /nfs/dbraw/zinc/49/41/49/975494149.db2.gz JRIDUNCXXGDHDN-MSOLQXFVSA-N -1 0 347.455 3.550 20 0 EHADRM CC[C@@H](OCC[N@@H+]1CCc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000652485910 975552708 /nfs/dbraw/zinc/55/27/08/975552708.db2.gz VBSKIULHCGOGML-HXUWFJFHSA-N -1 0 339.435 3.911 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)Nc2ccc3[nH]c(C4CCC4)nc3c2)c1 ZINC000653640105 975606266 /nfs/dbraw/zinc/60/62/66/975606266.db2.gz OJTQVNNEFOTKKV-UHFFFAOYSA-N -1 0 349.390 3.710 20 0 EHADRM COc1ccc2c(c1)[C@@H](C(=O)Nc1ccc(C(=O)[O-])c(C)c1)CCC2 ZINC000655537067 975622573 /nfs/dbraw/zinc/62/25/73/975622573.db2.gz PNSKIKLWQMMECG-KRWDZBQOSA-N -1 0 339.391 3.760 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000659119102 975715936 /nfs/dbraw/zinc/71/59/36/975715936.db2.gz CBZVGWFNKRYAKZ-UHFFFAOYSA-N -1 0 343.354 3.745 20 0 EHADRM CC(C)OCc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC001591734651 975719111 /nfs/dbraw/zinc/71/91/11/975719111.db2.gz HYJLMTLLKIZQMW-UHFFFAOYSA-N -1 0 331.343 3.701 20 0 EHADRM CC[C@H](NC(=O)C1(C(=O)[O-])CC2(CCC2)C1)c1ccc(F)cc1F ZINC000659122934 975723305 /nfs/dbraw/zinc/72/33/05/975723305.db2.gz QJFAJLMFMRDWJR-AWEZNQCLSA-N -1 0 337.366 3.567 20 0 EHADRM CC(C)Oc1c(NC(=O)[C@@H](F)Cc2ccccc2)cccc1C(=O)[O-] ZINC001591740605 975739405 /nfs/dbraw/zinc/73/94/05/975739405.db2.gz AJJNOSVIGPMBDP-HNNXBMFYSA-N -1 0 345.370 3.691 20 0 EHADRM CC(C)c1cccc(C(=O)N(C)Cc2ccc(OCC(=O)[O-])cc2)c1 ZINC000659143719 975743271 /nfs/dbraw/zinc/74/32/71/975743271.db2.gz UIPJXNSAPJWUCV-UHFFFAOYSA-N -1 0 341.407 3.546 20 0 EHADRM COCc1cc(NC(=O)C2CCC(C3CC3)CC2)cc(C(=O)[O-])c1 ZINC000659149416 975750600 /nfs/dbraw/zinc/75/06/00/975750600.db2.gz BTGJTKFUOSLKSM-UHFFFAOYSA-N -1 0 331.412 3.686 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)NCCCCc1ccc(Cl)s1 ZINC000659153715 975754083 /nfs/dbraw/zinc/75/40/83/975754083.db2.gz LAVZCWLCFQZVEC-UHFFFAOYSA-N -1 0 341.816 3.754 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[C@]1(C)Cc1ccccc1 ZINC000659155012 975754323 /nfs/dbraw/zinc/75/43/23/975754323.db2.gz XKVPFAFPHBRAIX-LJQANCHMSA-N -1 0 327.380 3.524 20 0 EHADRM C[C@H](CC(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1)C1CCCCC1 ZINC000659168438 975767311 /nfs/dbraw/zinc/76/73/11/975767311.db2.gz OETPHDCWWICEIF-BNOWGMLFSA-N -1 0 349.393 3.705 20 0 EHADRM Cc1ccsc1C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC000659185855 975782940 /nfs/dbraw/zinc/78/29/40/975782940.db2.gz VUUYFYBXSDELCH-AWEZNQCLSA-N -1 0 329.421 3.605 20 0 EHADRM CC(C)Oc1c(NC(=O)c2cc(F)cc(F)c2)cccc1C(=O)[O-] ZINC001591746427 975783577 /nfs/dbraw/zinc/78/35/77/975783577.db2.gz KNSLDNXJRCOZGV-UHFFFAOYSA-N -1 0 335.306 3.703 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3c(s2)CCCC3)[C@H]2CCCC[C@@H]12 ZINC000659194607 975795478 /nfs/dbraw/zinc/79/54/78/975795478.db2.gz MFCCZYUACZNRHE-ZNMIVQPWSA-N -1 0 347.480 3.732 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CC/C=C\c2ccccc2)[C@@H]2CCCC[C@H]12 ZINC000659196354 975801564 /nfs/dbraw/zinc/80/15/64/975801564.db2.gz TYQLGDJICWBDMT-HOCIKBLLSA-N -1 0 341.451 3.972 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCCc2ccccc2)[C@H]2CCCC[C@H]12 ZINC000659197001 975802200 /nfs/dbraw/zinc/80/22/00/975802200.db2.gz ZEEBABITRLUKJP-KURKYZTESA-N -1 0 329.440 3.501 20 0 EHADRM CCC[C@H](C(=O)NC[C@H](CC(=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC000659209897 975820717 /nfs/dbraw/zinc/82/07/17/975820717.db2.gz PJIDHPNLQWHREI-HOCLYGCPSA-N -1 0 337.847 3.841 20 0 EHADRM C[C@@H](C(=O)NC[C@@H](CC(=O)[O-])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000659210435 975821284 /nfs/dbraw/zinc/82/12/84/975821284.db2.gz TWWGJSBSIBDWGK-BXKDBHETSA-N -1 0 344.238 3.714 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)CCCC(=O)C(C)(C)C ZINC001591761921 975855901 /nfs/dbraw/zinc/85/59/01/975855901.db2.gz SEOIOHRBLLGUGW-UHFFFAOYSA-N -1 0 349.427 3.896 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC001591767041 975874757 /nfs/dbraw/zinc/87/47/57/975874757.db2.gz FDFYNKSDMLFEHK-AEGPPILISA-N -1 0 346.427 3.730 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NCC1(CC2CC2)CC1 ZINC001591767323 975878705 /nfs/dbraw/zinc/87/87/05/975878705.db2.gz KVVUKFHAWYMWJW-UHFFFAOYSA-N -1 0 346.427 3.874 20 0 EHADRM CC(C)Oc1ccc(CCNC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001591776620 975923098 /nfs/dbraw/zinc/92/30/98/975923098.db2.gz DGLUIFQNVAYBOV-UHFFFAOYSA-N -1 0 342.395 3.536 20 0 EHADRM CC(C)Oc1ccc(CCNc2ncc(C(=O)[O-])cc2Cl)cc1 ZINC001591776876 975928015 /nfs/dbraw/zinc/92/80/15/975928015.db2.gz PRSNSXIFLQQMKN-UHFFFAOYSA-N -1 0 334.803 3.875 20 0 EHADRM CC(C)Oc1ccc(NC(=O)CCCC(F)(F)F)c(C(=O)[O-])c1 ZINC001591780178 975942793 /nfs/dbraw/zinc/94/27/93/975942793.db2.gz DSOOTLJZLNLWNO-UHFFFAOYSA-N -1 0 333.306 3.843 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)CC1CC(F)(F)C1 ZINC000668269162 975977657 /nfs/dbraw/zinc/97/76/57/975977657.db2.gz FANODTBLYFHEFZ-UHFFFAOYSA-N -1 0 327.327 3.546 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CCC2(CCC2)CC1)C(=O)[O-] ZINC000668313929 975993762 /nfs/dbraw/zinc/99/37/62/975993762.db2.gz DDGLMCHEKBGGBD-ZDUSSCGKSA-N -1 0 333.453 3.658 20 0 EHADRM CC(C)Oc1cccc(CN(C)[C@@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC001591792146 975995508 /nfs/dbraw/zinc/99/55/08/975995508.db2.gz IVFAVPUVFDQQKK-LBPRGKRZSA-N -1 0 334.441 3.822 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000669435886 976002442 /nfs/dbraw/zinc/00/24/42/976002442.db2.gz TXPBRTSUIFFSDT-CXAGYDPISA-N -1 0 341.382 3.609 20 0 EHADRM CC(C)Oc1cccc(COC(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC001591797098 976013068 /nfs/dbraw/zinc/01/30/68/976013068.db2.gz XDKVLQBFLSASHP-UHFFFAOYSA-N -1 0 332.327 3.668 20 0 EHADRM CC(C)Oc1ccccc1CC(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001591801151 976016241 /nfs/dbraw/zinc/01/62/41/976016241.db2.gz JHAJQOPSOWNZKD-HXUWFJFHSA-N -1 0 347.455 3.556 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)CCc1cccc(Cl)c1 ZINC000675946264 976016770 /nfs/dbraw/zinc/01/67/70/976016770.db2.gz AYSBAICRTZHDSK-UHFFFAOYSA-N -1 0 345.826 3.776 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc(Oc2ccccc2)o1)C1CCCCC1 ZINC000678980625 976034096 /nfs/dbraw/zinc/03/40/96/976034096.db2.gz KCLAMCOEHAFICM-UHFFFAOYSA-N -1 0 343.379 3.931 20 0 EHADRM CC[C@H]1c2ccccc2CCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000679093594 976037597 /nfs/dbraw/zinc/03/75/97/976037597.db2.gz ZBACFXHUQJGUEL-IBGZPJMESA-N -1 0 337.419 3.853 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)CC/C=C\c2ccccc2)Cc2ccccc21 ZINC000679095515 976039975 /nfs/dbraw/zinc/03/99/75/976039975.db2.gz LHFCTOXKGRQFIV-CUPZGDSWSA-N -1 0 335.403 3.691 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000681681757 976072898 /nfs/dbraw/zinc/07/28/98/976072898.db2.gz OHZDRPSBNGCUJQ-UHFFFAOYSA-N -1 0 342.738 3.946 20 0 EHADRM O=C([O-])[C@H](NCc1ccc(Cl)c(F)c1)c1cc(F)ccc1F ZINC000683175572 976080416 /nfs/dbraw/zinc/08/04/16/976080416.db2.gz XFZLOVIEWYHPRN-CQSZACIVSA-N -1 0 329.705 3.673 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N(CCc1ccccc1)C1CCCC1 ZINC000683301997 976082376 /nfs/dbraw/zinc/08/23/76/976082376.db2.gz HRHDJHXLKHVELP-UHFFFAOYSA-N -1 0 331.456 3.891 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCCC[C@@H]2CCc2ccccc2)C1 ZINC000683335185 976089880 /nfs/dbraw/zinc/08/98/80/976089880.db2.gz IXKYNIRLVRAJAG-GUDVDZBRSA-N -1 0 343.467 3.891 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)CCc2ccccc2F)cc1)C(=O)[O-] ZINC000683331799 976090056 /nfs/dbraw/zinc/09/00/56/976090056.db2.gz SVQKMSNOYFOHTO-CYBMUJFWSA-N -1 0 329.371 3.660 20 0 EHADRM COc1c(C)cc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1C ZINC000685020267 976093001 /nfs/dbraw/zinc/09/30/01/976093001.db2.gz WQKRZFMLZFKYEW-UHFFFAOYSA-N -1 0 333.771 3.916 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)N(CCC(=O)[O-])Cc2ccccc2)cc1 ZINC000685019676 976093273 /nfs/dbraw/zinc/09/32/73/976093273.db2.gz WUFPEBKAEBOPHB-KRWDZBQOSA-N -1 0 339.435 3.677 20 0 EHADRM CC(C)[C@@H]1C[C@@H](OC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)c2ccccc21 ZINC001591845832 976123475 /nfs/dbraw/zinc/12/34/75/976123475.db2.gz BGIKNIQNIXSVMH-VIBAHUMZSA-N -1 0 346.423 3.827 20 0 EHADRM CC(C)c1[nH]c(CN(C)Cc2nc3c(s2)CCCC3)cc1C(=O)[O-] ZINC001591911349 976330305 /nfs/dbraw/zinc/33/03/05/976330305.db2.gz VUIOSYCKSGKPDP-UHFFFAOYSA-N -1 0 347.484 3.804 20 0 EHADRM CC(C)c1cc(C(=O)N2C3CCC2(C(=O)[O-])CC3)c(O)c(C(C)C)c1 ZINC001591926460 976416743 /nfs/dbraw/zinc/41/67/43/976416743.db2.gz YQMGPTPLIGZOST-UHFFFAOYSA-N -1 0 345.439 3.861 20 0 EHADRM CC(C)c1cc(=O)oc2cc(O[C@@H](C)c3nc(C(=O)[O-])co3)ccc21 ZINC001591926456 976417249 /nfs/dbraw/zinc/41/72/49/976417249.db2.gz YPENKDCSCWTTQC-JTQLQIEISA-N -1 0 343.335 3.743 20 0 EHADRM CC(C)c1cc(C(=O)N(c2ccccc2C(=O)[O-])C2CCC2)on1 ZINC001591926455 976417278 /nfs/dbraw/zinc/41/72/78/976417278.db2.gz YHAUZVCFKNPTQP-UHFFFAOYSA-N -1 0 328.368 3.696 20 0 EHADRM CC(C)c1cc(C(=O)NCc2ccc(C(=O)[O-])cc2)c2ccccc2n1 ZINC001591930361 976420416 /nfs/dbraw/zinc/42/04/16/976420416.db2.gz HRPDOELIGPGSFW-UHFFFAOYSA-N -1 0 348.402 3.986 20 0 EHADRM CC(C)c1cc(C(=O)OCC2(CC(=O)[O-])CC2)c2ccccc2n1 ZINC001591931250 976434817 /nfs/dbraw/zinc/43/48/17/976434817.db2.gz MZDKJJZWRCBFHZ-UHFFFAOYSA-N -1 0 327.380 3.770 20 0 EHADRM CC(C)c1cc(NC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)ccc1O ZINC001591934696 976443708 /nfs/dbraw/zinc/44/37/08/976443708.db2.gz AFEQINSLDMUDCX-OXJNMPFZSA-N -1 0 339.391 3.713 20 0 EHADRM CC(C)c1ccc([C@@H]2CCCN2C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001591948095 976496685 /nfs/dbraw/zinc/49/66/85/976496685.db2.gz AKYPQLXRVBHSDS-KSZLIROESA-N -1 0 329.440 3.974 20 0 EHADRM CC(C)c1ccc(NC(=O)[C@H]2c3c[nH]nc3CC[C@@H]2C)c(C(=O)[O-])c1 ZINC001591962779 976550442 /nfs/dbraw/zinc/55/04/42/976550442.db2.gz QYJGQPWDFNGTMD-APPDUMDISA-N -1 0 341.411 3.536 20 0 EHADRM CC(C)c1ccc(NC(=O)C[C@H]2CC[C@@H](C3CC3)O2)c(C(=O)[O-])c1 ZINC001591963339 976553957 /nfs/dbraw/zinc/55/39/57/976553957.db2.gz ZTPAZNBOERXFTB-PBHICJAKSA-N -1 0 331.412 3.794 20 0 EHADRM CC(C)c1ccc(NC(=O)Cc2cccnc2Cl)c(C(=O)[O-])c1 ZINC001591965204 976556467 /nfs/dbraw/zinc/55/64/67/976556467.db2.gz HSYHZWUQFKPIDM-UHFFFAOYSA-N -1 0 332.787 3.738 20 0 EHADRM CC(C)c1ccc(NC(=O)N2CCC(F)(F)CC2)c(C(=O)[O-])c1 ZINC001591965880 976560889 /nfs/dbraw/zinc/56/08/89/976560889.db2.gz TXVJYSLTLADNOU-UHFFFAOYSA-N -1 0 326.343 3.771 20 0 EHADRM CC(C)c1cnc(CN(CC(=O)[O-])Cc2ccc(F)c(F)c2)s1 ZINC001592002806 976655596 /nfs/dbraw/zinc/65/55/96/976655596.db2.gz IKXGIVSVHQJYHH-UHFFFAOYSA-N -1 0 340.395 3.632 20 0 EHADRM CC(C)c1nc(NC(=O)C2(Cc3ccccc3)CC2)sc1C(=O)[O-] ZINC001592021644 976715797 /nfs/dbraw/zinc/71/57/97/976715797.db2.gz GTHFCZOSXMWPNB-UHFFFAOYSA-N -1 0 344.436 3.926 20 0 EHADRM CC(C)c1nsc(CN[C@@H](C(=O)[O-])c2cccc3ccccc32)n1 ZINC001592105683 976879195 /nfs/dbraw/zinc/87/91/95/976879195.db2.gz GBZYDGXWCWNWHJ-MRXNPFEDSA-N -1 0 341.436 3.730 20 0 EHADRM CC(C)n1nc(-c2ccco2)cc1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001592150101 977021152 /nfs/dbraw/zinc/02/11/52/977021152.db2.gz SVZYFZWCQYEKIZ-STQMWFEESA-N -1 0 345.399 3.554 20 0 EHADRM C[C@@H](C1CCCCC1)N(C)C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001592181514 977107130 /nfs/dbraw/zinc/10/71/30/977107130.db2.gz OAAUZESXAPOFHR-NSHDSACASA-N -1 0 344.415 3.694 20 0 EHADRM C[C@H](/C=C/C(=O)[O-])NC(=O)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC001592202164 977215758 /nfs/dbraw/zinc/21/57/58/977215758.db2.gz BVFQNWSBDJDTAS-ISJXMTRFSA-N -1 0 339.391 3.586 20 0 EHADRM C[C@@H](CC(=O)N(c1ccccc1C(=O)[O-])C1CCC1)c1ccncc1 ZINC001592227895 977427000 /nfs/dbraw/zinc/42/70/00/977427000.db2.gz USSZXDFGRKDXOD-AWEZNQCLSA-N -1 0 338.407 3.859 20 0 EHADRM Cc1oc(CN(C)Cc2cscc2Br)cc1C(=O)[O-] ZINC000709868295 977472029 /nfs/dbraw/zinc/47/20/29/977472029.db2.gz GYYSQDSCLHHRPY-UHFFFAOYSA-N -1 0 344.230 3.742 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1)CC(C)(C)C ZINC001592270492 977537212 /nfs/dbraw/zinc/53/72/12/977537212.db2.gz RQTLNUQLCYEXHZ-LBPRGKRZSA-N -1 0 331.416 3.522 20 0 EHADRM C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1N)Cc1ccc(Cl)cc1 ZINC001592273584 977544286 /nfs/dbraw/zinc/54/42/86/977544286.db2.gz DAHBUNRUGQEXGK-LLVKDONJSA-N -1 0 346.814 3.828 20 0 EHADRM C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1O)c1c[nH]c2ccccc21 ZINC001592274472 977549115 /nfs/dbraw/zinc/54/91/15/977549115.db2.gz OUWXSLPHVBPVNC-LLVKDONJSA-N -1 0 338.363 3.704 20 0 EHADRM C[C@H](CC(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1)c1ccc(F)cc1 ZINC001592278067 977559098 /nfs/dbraw/zinc/55/90/98/977559098.db2.gz NKJIZCSBQOGSNA-SNVBAGLBSA-N -1 0 341.342 3.533 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)c1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC001592303665 977658748 /nfs/dbraw/zinc/65/87/48/977658748.db2.gz FLCZGIKVQITKSJ-CQSZACIVSA-N -1 0 349.736 3.732 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)NC1(c2ccc(C(C)(C)C)cc2)CCCC1 ZINC001592346022 977816256 /nfs/dbraw/zinc/81/62/56/977816256.db2.gz UPUXFQSTDQJBSE-CQSZACIVSA-N -1 0 331.456 3.980 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)Nc1ccccc1Nc1c(F)cccc1F ZINC001592361766 977850149 /nfs/dbraw/zinc/85/01/49/977850149.db2.gz AYIAOYRHWUICRX-SNVBAGLBSA-N -1 0 334.322 3.758 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N(C)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001592371373 977893652 /nfs/dbraw/zinc/89/36/52/977893652.db2.gz SLXLNEAGWQXAFJ-QMMMGPOBSA-N -1 0 337.725 3.823 20 0 EHADRM C[C@@H](OC(=O)[C@@H](C)CC(=O)[O-])c1cccc(OCc2ccccc2)c1 ZINC001592371932 977899454 /nfs/dbraw/zinc/89/94/54/977899454.db2.gz VPXFKCRHLZHXKH-LSDHHAIUSA-N -1 0 342.391 3.981 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC001592374710 977902954 /nfs/dbraw/zinc/90/29/54/977902954.db2.gz DIDIXVYNYPCOQS-VXGBXAGGSA-N -1 0 341.810 3.514 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@@]1(C)C(=O)[O-])c1cc2ccccc2s1 ZINC000654819746 1014437294 /nfs/dbraw/zinc/43/72/94/1014437294.db2.gz ALHFIJCHZGDPBG-DIFFPNOSSA-N -1 0 332.425 3.611 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCCSc2cc(Cl)ccc21 ZINC001592376091 977916805 /nfs/dbraw/zinc/91/68/05/977916805.db2.gz YMFJWDUGBZVWNG-SNVBAGLBSA-N -1 0 327.833 3.670 20 0 EHADRM C[C@@H](CC(=O)[O-])c1nc(-c2ccc(-n3cnc4ccccc43)cc2)no1 ZINC001592423791 978041287 /nfs/dbraw/zinc/04/12/87/978041287.db2.gz HHYMJDFTMMMSMD-LBPRGKRZSA-N -1 0 348.362 3.654 20 0 EHADRM C[C@H](CC(C)(C)C)NC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001592444548 978103713 /nfs/dbraw/zinc/10/37/13/978103713.db2.gz NTKWPZVQNUGHQI-CYBMUJFWSA-N -1 0 347.459 3.931 20 0 EHADRM C[C@H](CCC(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1)c1ccccc1 ZINC001592469954 978216358 /nfs/dbraw/zinc/21/63/58/978216358.db2.gz CQTCRNDAJYBSGA-GFCCVEGCSA-N -1 0 337.379 3.784 20 0 EHADRM C[C@H](CCC(=O)Oc1ccc(CC(=O)[O-])cc1F)c1ccccc1 ZINC001592471063 978228701 /nfs/dbraw/zinc/22/87/01/978228701.db2.gz VSTWPVDQYRKKBU-CYBMUJFWSA-N -1 0 330.355 3.942 20 0 EHADRM C[C@@H](CCCC(F)(F)F)NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001592477000 978240230 /nfs/dbraw/zinc/24/02/30/978240230.db2.gz HBXWUCQVBKNXAT-QMMMGPOBSA-N -1 0 337.725 3.889 20 0 EHADRM C[C@H](CCOc1ccccc1)C(=O)O[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001592538823 978416744 /nfs/dbraw/zinc/41/67/44/978416744.db2.gz XNYDQMLPPWKOPE-OLZOCXBDSA-N -1 0 332.352 3.687 20 0 EHADRM C[C@H](CN(Cc1nccn1-c1ccccc1)Cc1ccccc1)C(=O)[O-] ZINC001592605606 978552338 /nfs/dbraw/zinc/55/23/38/978552338.db2.gz ZCSBJTDFSBJJCY-QGZVFWFLSA-N -1 0 349.434 3.595 20 0 EHADRM Cc1ccc(OC(=O)c2sccc2Br)c(C(=O)[O-])c1 ZINC000738639766 978579642 /nfs/dbraw/zinc/57/96/42/978579642.db2.gz UMNXDTFUHWDWGM-UHFFFAOYSA-N -1 0 341.182 3.736 20 0 EHADRM O=C([O-])CCCCCCNC(=O)NC1(c2ccc(F)cc2)CCC1 ZINC000739666245 978647523 /nfs/dbraw/zinc/64/75/23/978647523.db2.gz JOFLDIGZNCJTBD-UHFFFAOYSA-N -1 0 336.407 3.539 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000761418813 978710260 /nfs/dbraw/zinc/71/02/60/978710260.db2.gz IBIHWXQDYZGTHK-LBPRGKRZSA-N -1 0 343.810 3.806 20 0 EHADRM CC[C@H](C)n1ncc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1C1CC1 ZINC000761665968 978714013 /nfs/dbraw/zinc/71/40/13/978714013.db2.gz WJGYVTDKIAAGIW-JTQLQIEISA-N -1 0 345.374 3.821 20 0 EHADRM C/C(=C\C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c1cccc(Cl)c1 ZINC000766937574 978729356 /nfs/dbraw/zinc/72/93/56/978729356.db2.gz ALXDFPUGUOECEW-RTGRKSDTSA-N -1 0 343.810 3.555 20 0 EHADRM CC(C)(C)c1ncc(/C=C/C(=O)Nc2ccc(F)c(C(=O)[O-])c2)s1 ZINC000767095464 978734471 /nfs/dbraw/zinc/73/44/71/978734471.db2.gz KYCOPNVWPSWTCX-FNORWQNLSA-N -1 0 348.399 3.930 20 0 EHADRM C[C@H](Cc1ccccc1Cl)NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000774040070 978745404 /nfs/dbraw/zinc/74/54/04/978745404.db2.gz GGASNDJZTXTRSW-SNVBAGLBSA-N -1 0 335.762 3.538 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cc(C)c(OC(F)F)c(C)c1 ZINC000776680611 978769479 /nfs/dbraw/zinc/76/94/79/978769479.db2.gz XZELLDLDFXZHJW-UHFFFAOYSA-N -1 0 343.370 3.668 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)NCCc2cc3ccccc3o2)c1 ZINC000811818872 978862257 /nfs/dbraw/zinc/86/22/57/978862257.db2.gz BXYKQAKURIPBRE-UHFFFAOYSA-N -1 0 343.766 3.757 20 0 EHADRM CCC1(C(=O)Nc2cc(C(=O)[O-])c(Br)cc2C)CCC1 ZINC000822681486 978929034 /nfs/dbraw/zinc/92/90/34/978929034.db2.gz NFXUBWZFMAUANQ-UHFFFAOYSA-N -1 0 340.217 3.975 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)NCc2ccc(C3CCC3)cc2)o1 ZINC000826572911 978946965 /nfs/dbraw/zinc/94/69/65/978946965.db2.gz WNQBGJIPOCNUKH-PKNBQFBNSA-N -1 0 325.364 3.575 20 0 EHADRM C[C@H](c1ccccc1)[C@H](C)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000827670970 978963296 /nfs/dbraw/zinc/96/32/96/978963296.db2.gz AALZVABIPJKLBB-RYUDHWBXSA-N -1 0 330.359 3.838 20 0 EHADRM CCCCS[C@H](C)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000829430632 978998840 /nfs/dbraw/zinc/99/88/40/978998840.db2.gz IFCLGYNSTBMCIX-UKRRQHHQSA-N -1 0 337.485 3.877 20 0 EHADRM CCc1ccc([C@H](NC(=O)N2CCC[C@@H]2CC(=O)[O-])C(C)C)cc1 ZINC000830236685 979015197 /nfs/dbraw/zinc/01/51/97/979015197.db2.gz CTOQAGBPDJAAPL-SJLPKXTDSA-N -1 0 332.444 3.595 20 0 EHADRM CN(Cc1cscn1)[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000830869714 979022744 /nfs/dbraw/zinc/02/27/44/979022744.db2.gz FLRWQFNTRAUMBK-LBPRGKRZSA-N -1 0 331.224 3.708 20 0 EHADRM Cc1[nH]c(C(=O)N2CC3(CCCC3)c3ccccc32)c(C)c1C(=O)[O-] ZINC000832842908 979049221 /nfs/dbraw/zinc/04/92/21/979049221.db2.gz GEXWVZWYVVPYRL-UHFFFAOYSA-N -1 0 338.407 3.802 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NC2CCC(C(F)(F)F)CC2)cc1F ZINC000833154591 979097629 /nfs/dbraw/zinc/09/76/29/979097629.db2.gz ZEMVXAVBUGBZCC-UHFFFAOYSA-N -1 0 348.296 3.767 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)c1ccccc1F ZINC000833168931 979103997 /nfs/dbraw/zinc/10/39/97/979103997.db2.gz GOYKSHKMJKKRPE-IIAWOOMASA-N -1 0 348.757 3.952 20 0 EHADRM CC[C@H](C)n1ncc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1C ZINC001595024166 979125492 /nfs/dbraw/zinc/12/54/92/979125492.db2.gz PQDZFMAILXUYOQ-VIFPVBQESA-N -1 0 335.791 3.766 20 0 EHADRM CC[C@@H](C)n1ncc(NC(=O)Nc2cccc(C(=O)[O-])c2C)c1C ZINC001595027159 979140371 /nfs/dbraw/zinc/14/03/71/979140371.db2.gz PBOQNQCJHZAMAF-SNVBAGLBSA-N -1 0 330.388 3.813 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)Nc2cccc(C(=O)[O-])c2C)c1C ZINC001595027157 979140612 /nfs/dbraw/zinc/14/06/12/979140612.db2.gz PBOQNQCJHZAMAF-JTQLQIEISA-N -1 0 330.388 3.813 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Oc2cccc3c2CCCC3=O)c1 ZINC000833291758 979142028 /nfs/dbraw/zinc/14/20/28/979142028.db2.gz RNPYQJBQWJKQBW-UHFFFAOYSA-N -1 0 325.320 3.515 20 0 EHADRM CC[C@H](C)n1ncc(NCc2ccccc2O[C@@H](C)C(=O)[O-])c1C ZINC001595027449 979143808 /nfs/dbraw/zinc/14/38/08/979143808.db2.gz VTEDWDGFOMJGQZ-JSGCOSHPSA-N -1 0 331.416 3.627 20 0 EHADRM CC[C@H](CC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)c1ccc(C)cc1 ZINC001595033904 979178902 /nfs/dbraw/zinc/17/89/02/979178902.db2.gz SWXNNYSLEQEHOX-SYNHAJSKSA-N -1 0 329.440 3.592 20 0 EHADRM CC[C@@H](CC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1)C(C)C ZINC001595034102 979181291 /nfs/dbraw/zinc/18/12/91/979181291.db2.gz YWPYQMWTYIZUDQ-BONVTDFDSA-N -1 0 329.799 3.793 20 0 EHADRM CC[C@@H](CC(F)(F)F)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001595038084 979207179 /nfs/dbraw/zinc/20/71/79/979207179.db2.gz CIESNVPEVJULAQ-WCQYABFASA-N -1 0 345.361 3.933 20 0 EHADRM CC[C@@H](CC(F)(F)F)NC(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC001595042834 979239703 /nfs/dbraw/zinc/23/97/03/979239703.db2.gz WCCHHVVKWASTKZ-JTQLQIEISA-N -1 0 332.322 3.854 20 0 EHADRM CC(C)(CNC(=O)C(C)(C)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000836718540 979250006 /nfs/dbraw/zinc/25/00/06/979250006.db2.gz JIEZKQHBCLHFPO-UHFFFAOYSA-N -1 0 345.361 3.501 20 0 EHADRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)/C=C\C2CCCCC2)c1 ZINC000836758201 979269241 /nfs/dbraw/zinc/26/92/41/979269241.db2.gz INYXICNFOFGKOB-DUQGCJEPSA-N -1 0 345.439 3.638 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(F)cc2)ccc1N1CCCCC1 ZINC000841501244 979302566 /nfs/dbraw/zinc/30/25/66/979302566.db2.gz GUBVWSQORQATLA-UHFFFAOYSA-N -1 0 342.370 3.767 20 0 EHADRM CCC(CC)(CNC(=O)Cc1cccc(OCC=C(C)C)c1)C(=O)[O-] ZINC001595068749 979334015 /nfs/dbraw/zinc/33/40/15/979334015.db2.gz RRWWZWVDDODTSD-UHFFFAOYSA-N -1 0 347.455 3.581 20 0 EHADRM C[C@](COC(=O)[C@@H]1CC[C@H](C(F)(F)F)C1)(C(=O)[O-])c1ccccc1 ZINC001592763740 979364439 /nfs/dbraw/zinc/36/44/39/979364439.db2.gz HGEBOOBTQFWNSS-PVXIVEMSSA-N -1 0 344.329 3.551 20 0 EHADRM CCC(CC)(NC(=O)C[C@H](C)CC(=O)[O-])c1ccc(Cl)cc1 ZINC001595090598 979383166 /nfs/dbraw/zinc/38/31/66/979383166.db2.gz JBPVPULWLRMCLB-LBPRGKRZSA-N -1 0 325.836 3.972 20 0 EHADRM CN(c1ccc(NC(=O)CCCC(=O)[O-])cc1F)C1CCCCC1 ZINC000844252065 979394650 /nfs/dbraw/zinc/39/46/50/979394650.db2.gz GXAPHQUDQZLNTH-UHFFFAOYSA-N -1 0 336.407 3.788 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC000846129234 979412337 /nfs/dbraw/zinc/41/23/37/979412337.db2.gz VKLUEROWIZUUAS-LBPRGKRZSA-N -1 0 347.436 3.527 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@@H](C)COc2ccccc2)c1 ZINC001592782825 979420030 /nfs/dbraw/zinc/42/00/30/979420030.db2.gz MNIVAUDNNXQSEW-UONOGXRCSA-N -1 0 327.380 3.528 20 0 EHADRM O=C([O-])Cc1ccccc1CN1CCO[C@H](c2ccccc2Cl)C1 ZINC000846244766 979420928 /nfs/dbraw/zinc/42/09/28/979420928.db2.gz VJJSKMBPTJUBJF-SFHVURJKSA-N -1 0 345.826 3.541 20 0 EHADRM O=C([O-])Cc1ccccc1CN1CCO[C@@H](c2ccccc2Cl)C1 ZINC000846244765 979421242 /nfs/dbraw/zinc/42/12/42/979421242.db2.gz VJJSKMBPTJUBJF-GOSISDBHSA-N -1 0 345.826 3.541 20 0 EHADRM CCC(CC)[C@@H](C)C(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001595105267 979421382 /nfs/dbraw/zinc/42/13/82/979421382.db2.gz HVRQYDKNXDAETA-WBMJQRKESA-N -1 0 331.412 3.617 20 0 EHADRM CCC(CC)CC(=O)N[C@@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595110122 979452281 /nfs/dbraw/zinc/45/22/81/979452281.db2.gz ZPDMNHADYFXCDZ-QGZVFWFLSA-N -1 0 325.836 3.972 20 0 EHADRM CCC(CC)CN(CC)C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001595111367 979457121 /nfs/dbraw/zinc/45/71/21/979457121.db2.gz JCNWPYXEJDKRBV-UHFFFAOYSA-N -1 0 335.448 3.741 20 0 EHADRM CCC1CCC(N(C(=O)c2ccc(/C=C\C(=O)[O-])o2)C2CC2)CC1 ZINC000851594088 979504667 /nfs/dbraw/zinc/50/46/67/979504667.db2.gz FZBJRUCXYOLHTO-BENRWUELSA-N -1 0 331.412 3.951 20 0 EHADRM CC1(C)[C@H](c2ccccc2)CCN1C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851605289 979529104 /nfs/dbraw/zinc/52/91/04/979529104.db2.gz BMMUXEFSQHZWEB-SLWQEBJJSA-N -1 0 339.391 3.786 20 0 EHADRM CC[C@H](CN(CC)C(=O)Nc1cc(C(=O)[O-])n(C)c1)c1ccccc1 ZINC001595129797 979538578 /nfs/dbraw/zinc/53/85/78/979538578.db2.gz RPAPMSSRBWQJAN-CQSZACIVSA-N -1 0 343.427 3.771 20 0 EHADRM C[C@H](NC(=O)c1cc(C(=O)[O-])ccc1Cl)C1CCC(F)CC1 ZINC000851623310 979558564 /nfs/dbraw/zinc/55/85/64/979558564.db2.gz OCYKXYVMDPHAKZ-BMQDGWLCSA-N -1 0 327.783 3.685 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001592838605 979590234 /nfs/dbraw/zinc/59/02/34/979590234.db2.gz GAIVDQRQSGSURT-VPUINMBXSA-N -1 0 347.798 3.734 20 0 EHADRM CCCC[C@H](C(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1)C(C)C ZINC000856926765 979611987 /nfs/dbraw/zinc/61/19/87/979611987.db2.gz IAFVWSYDHULOTE-PXNSSMCTSA-N -1 0 331.456 3.704 20 0 EHADRM CC(C)Oc1cccc([C@H](C)NC(=O)/C=C\c2cc(C(=O)[O-])co2)c1 ZINC000864103567 979689086 /nfs/dbraw/zinc/68/90/86/979689086.db2.gz MLTFUGCOXVCOGE-WSROAFLRSA-N -1 0 343.379 3.656 20 0 EHADRM Cc1ccc(C(=O)N2CCC[C@H]2c2cccc(F)c2)cc1C(=O)[O-] ZINC000864105758 979693255 /nfs/dbraw/zinc/69/32/55/979693255.db2.gz OGXAUTSPWJYOBU-KRWDZBQOSA-N -1 0 327.355 3.810 20 0 EHADRM Cc1ccc(CN(C(=O)/C=C/c2cc(C(=O)[O-])co2)C2CC2)cc1C ZINC000864111864 979702574 /nfs/dbraw/zinc/70/25/74/979702574.db2.gz QWQRMVZIJBIQPU-BQYQJAHWSA-N -1 0 339.391 3.799 20 0 EHADRM C[C@@H]1CCN(C(=O)/C=C\c2cc(C(=O)[O-])co2)[C@H](c2ccco2)C1 ZINC000864113210 979705043 /nfs/dbraw/zinc/70/50/43/979705043.db2.gz LWFFEQKBCWVKHI-ZYSUWKAZSA-N -1 0 329.352 3.584 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(-c2ccccc2OC)s1 ZINC000864119167 979713226 /nfs/dbraw/zinc/71/32/26/979713226.db2.gz WQSMAGMTIULNLX-GOSISDBHSA-N -1 0 347.436 3.797 20 0 EHADRM CC(C)(CC(=O)Nc1cccc(CC(=O)[O-])c1)c1ccc(F)cc1 ZINC000864126137 979726119 /nfs/dbraw/zinc/72/61/19/979726119.db2.gz NJZQIINVEOMUBD-UHFFFAOYSA-N -1 0 329.371 3.759 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2cccc3ccncc32)cc1)C(=O)[O-] ZINC001592872123 979727044 /nfs/dbraw/zinc/72/70/44/979727044.db2.gz CYRFHSKTWUFFLV-ZDUSSCGKSA-N -1 0 334.375 3.750 20 0 EHADRM C[C@@H](Cc1ccc(NC[C@@H](O)Cc2cccc(Cl)c2)cc1)C(=O)[O-] ZINC001592877044 979743272 /nfs/dbraw/zinc/74/32/72/979743272.db2.gz HOYHDCOYFWTASB-UGSOOPFHSA-N -1 0 347.842 3.619 20 0 EHADRM CCOc1ccccc1[C@@H](CC)NC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000864142984 979747731 /nfs/dbraw/zinc/74/77/31/979747731.db2.gz XXTFMONNKIEWNZ-ZNFPLGDCSA-N -1 0 343.379 3.657 20 0 EHADRM CC[C@@H](CC(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1)C(C)(C)C ZINC000864150591 979760309 /nfs/dbraw/zinc/76/03/09/979760309.db2.gz VDMUMWZOLGWKHQ-YWZLYKJASA-N -1 0 331.456 3.704 20 0 EHADRM CC(C)(c1ccccc1)C1(NC(=O)/C=C\c2cc(C(=O)[O-])co2)CC1 ZINC000864153059 979763681 /nfs/dbraw/zinc/76/36/81/979763681.db2.gz WUYICXPRCOTOKI-HJWRWDBZSA-N -1 0 339.391 3.618 20 0 EHADRM C[C@](Cc1ccccc1)(NC(=O)/C=C\c1cc(C(=O)[O-])co1)C1CC1 ZINC000864153711 979764227 /nfs/dbraw/zinc/76/42/27/979764227.db2.gz HAXFOAJONJVSBA-GDCKJWNLSA-N -1 0 339.391 3.519 20 0 EHADRM O=C([O-])C1=CC[C@H](NC(=O)C2(Cc3cccc(Cl)c3)CCCC2)C1 ZINC000864164978 979787980 /nfs/dbraw/zinc/78/79/80/979787980.db2.gz LCQJJOFXQLEKGI-INIZCTEOSA-N -1 0 347.842 3.733 20 0 EHADRM CCc1ccc(N(CC2CC2)C(=O)c2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC000864188791 979837174 /nfs/dbraw/zinc/83/71/74/979837174.db2.gz KOEYQKUDKBQGGX-ZRDIBKRKSA-N -1 0 339.391 3.997 20 0 EHADRM C[C@@](Cc1ccc(Cl)cc1)(NC(=O)c1ccoc1C1CC1)C(=O)[O-] ZINC000864196988 979863463 /nfs/dbraw/zinc/86/34/63/979863463.db2.gz VEKGUXMPXPCBTM-SFHVURJKSA-N -1 0 347.798 3.626 20 0 EHADRM C[C@H](Cc1cncc2ccccc21)C(=O)Nc1ccccc1C(=O)[O-] ZINC001592908579 979864841 /nfs/dbraw/zinc/86/48/41/979864841.db2.gz DMDLINIMCYYOLF-CYBMUJFWSA-N -1 0 334.375 3.750 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)c1cc2c(ccc3ccccc23)o1)C1CC1 ZINC000864201826 979880398 /nfs/dbraw/zinc/88/03/98/979880398.db2.gz ZGDIFOFUOMNXOZ-HXUWFJFHSA-N -1 0 337.375 3.959 20 0 EHADRM O=C([O-])c1coc(/C=C/C(=O)N2CCC(c3ccc(F)cc3)CC2)c1 ZINC000864217031 979905501 /nfs/dbraw/zinc/90/55/01/979905501.db2.gz KLYRNKGEHLAEJB-AATRIKPKSA-N -1 0 343.354 3.536 20 0 EHADRM C[C@@H](Cn1ccc2ccccc21)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001592918814 979910491 /nfs/dbraw/zinc/91/04/91/979910491.db2.gz RFABDNHSYCCKTC-AWEZNQCLSA-N -1 0 336.391 3.543 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)N[C@H](CC(=O)[O-])c1cccc(C)c1 ZINC000864228188 979918495 /nfs/dbraw/zinc/91/84/95/979918495.db2.gz JXDMEHBPNAFJKE-CQSZACIVSA-N -1 0 346.452 3.829 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)C2CCC(C3CC3)CC2)c2ccccc21 ZINC000864228336 979919587 /nfs/dbraw/zinc/91/95/87/979919587.db2.gz NRJGPVFXNSOYDT-UYSNPLJNSA-N -1 0 327.424 3.808 20 0 EHADRM Cc1cc(F)cc(C)c1C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000864228605 979920633 /nfs/dbraw/zinc/92/06/33/979920633.db2.gz QATKCXXVGUKXJM-ZDUSSCGKSA-N -1 0 327.355 3.661 20 0 EHADRM CCc1ccc(F)cc1C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000864229002 979922493 /nfs/dbraw/zinc/92/24/93/979922493.db2.gz UOQNZCUKBVIRHI-CYBMUJFWSA-N -1 0 327.355 3.607 20 0 EHADRM CC[C@@H](CSc1ccccc1)NC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001595203658 979966815 /nfs/dbraw/zinc/96/68/15/979966815.db2.gz QPNNHKZKOKAMIY-HNNXBMFYSA-N -1 0 343.448 3.994 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)NCC(C)(C)CC(=O)[O-] ZINC001595205511 979980033 /nfs/dbraw/zinc/98/00/33/979980033.db2.gz TXIQMXSIOSJVNW-QGZVFWFLSA-N -1 0 348.487 3.849 20 0 EHADRM C[C@@H](F)CCNc1cc(C(=O)[O-])nc2ccc(Br)cc21 ZINC001592950407 980028595 /nfs/dbraw/zinc/02/85/95/980028595.db2.gz GZZMRAXGRAXHOC-MRVPVSSYSA-N -1 0 341.180 3.856 20 0 EHADRM C[C@H](N(Cc1ccccc1)C(=S)NCCCC(=O)[O-])C(C)(C)C ZINC001592951299 980038639 /nfs/dbraw/zinc/03/86/39/980038639.db2.gz GYOQDBBADKVHNF-AWEZNQCLSA-N -1 0 336.501 3.663 20 0 EHADRM CC[C@H](Cc1ccccc1C(F)(F)F)NC(=O)CCCCC(=O)[O-] ZINC001595219757 980042119 /nfs/dbraw/zinc/04/21/19/980042119.db2.gz QXNNUSSPEJNZKY-CYBMUJFWSA-N -1 0 345.361 3.788 20 0 EHADRM CCC(F)(F)c1ccccc1NC(=O)c1c(C)coc1CC(=O)[O-] ZINC001595224676 980070004 /nfs/dbraw/zinc/07/00/04/980070004.db2.gz DPWWTEHLJQUGCV-UHFFFAOYSA-N -1 0 337.322 3.969 20 0 EHADRM CC[C@@](NC(=O)/C=C/c1ccccc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595237468 980145909 /nfs/dbraw/zinc/14/59/09/980145909.db2.gz ISMSTHRCMKDPJD-CWRQFWGNSA-N -1 0 343.810 3.860 20 0 EHADRM C[C@@H](NC(=O)C(C)(C)CC(C)(C)C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001592989897 980175964 /nfs/dbraw/zinc/17/59/64/980175964.db2.gz LDYVSAXPFSEMEG-ZBFHGGJFSA-N -1 0 333.472 3.897 20 0 EHADRM CC[C@H](NC(=O)N1CCC(CC(=O)[O-])CC1)c1cccc(Cl)c1 ZINC001595247799 980193791 /nfs/dbraw/zinc/19/37/91/980193791.db2.gz SODMRXRHASJYTE-HNNXBMFYSA-N -1 0 338.835 3.687 20 0 EHADRM C[C@@H](NC(=O)C12CC(C(=O)[O-])(C1)C2)c1cc(F)c(Cl)cc1Cl ZINC001592998538 980208010 /nfs/dbraw/zinc/20/80/10/980208010.db2.gz MCUKMJCDFMTXDJ-AACOWQAYSA-N -1 0 346.185 3.565 20 0 EHADRM CC[C@H](NC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)[C@@H]1CCCO1 ZINC001595251727 980213734 /nfs/dbraw/zinc/21/37/34/980213734.db2.gz CXWDTXDXYQNRAH-IRXDYDNUSA-N -1 0 342.395 3.617 20 0 EHADRM CCCOc1ccc(NC(=O)N2CCC(C(=O)[O-])CC2)cc1C(C)C ZINC000887394525 980221792 /nfs/dbraw/zinc/22/17/92/980221792.db2.gz UKQGKPDAGXIHAP-UHFFFAOYSA-N -1 0 348.443 3.927 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)c3ccc(C(=O)[O-])s3)ccc2[nH]1 ZINC000899894581 980233583 /nfs/dbraw/zinc/23/35/83/980233583.db2.gz NPDPFFPZFGCNNS-UHFFFAOYSA-N -1 0 343.408 3.872 20 0 EHADRM C[C@@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1c(F)cccc1Cl ZINC001593009428 980236925 /nfs/dbraw/zinc/23/69/25/980236925.db2.gz QWVOZFLLJWJABR-JGAIRUGNSA-N -1 0 337.734 3.661 20 0 EHADRM CC[C@@H](NC(=O)Nc1cccc(C(=O)[O-])c1)c1ccc(OC)cc1 ZINC001595258410 980254928 /nfs/dbraw/zinc/25/49/28/980254928.db2.gz OJLPAZPNNHPEKW-MRXNPFEDSA-N -1 0 328.368 3.666 20 0 EHADRM CCc1oc(CN2CCSC[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC000901418333 980266360 /nfs/dbraw/zinc/26/63/60/980266360.db2.gz ZLIRZUHSLCSJHM-MRXNPFEDSA-N -1 0 331.437 3.830 20 0 EHADRM Cc1nn(CCC(=O)[O-])c(C)c1CNc1cccc(C(C)(F)F)c1 ZINC000901458123 980296494 /nfs/dbraw/zinc/29/64/94/980296494.db2.gz ZYWINCXFYSGVDI-UHFFFAOYSA-N -1 0 337.370 3.698 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(Cc2cccc(F)c2OC(F)(F)F)C1 ZINC000901553697 980379987 /nfs/dbraw/zinc/37/99/87/980379987.db2.gz ZKLWAUWTCDXNDG-LLVKDONJSA-N -1 0 349.324 3.801 20 0 EHADRM CC[C@@H](Nc1ccc(OC)c(NC(C)=O)c1)c1ccc(C(=O)[O-])cc1 ZINC001595318234 980499326 /nfs/dbraw/zinc/49/93/26/980499326.db2.gz IGVDWDNUMDYSHQ-MRXNPFEDSA-N -1 0 342.395 3.915 20 0 EHADRM Cc1nc(CC(C)C)c(NC(=O)Cc2ccccc2C(=O)[O-])s1 ZINC000901880365 980596108 /nfs/dbraw/zinc/59/61/08/980596108.db2.gz STAIRNSDSJRCOU-UHFFFAOYSA-N -1 0 332.425 3.529 20 0 EHADRM Cc1cc(CNCc2ccccc2OCC(F)(F)F)oc1C(=O)[O-] ZINC000901936900 980640438 /nfs/dbraw/zinc/64/04/38/980640438.db2.gz CTJXCKOQGWFKJD-UHFFFAOYSA-N -1 0 343.301 3.517 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(N[C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1 ZINC000901945812 980644646 /nfs/dbraw/zinc/64/46/46/980644646.db2.gz RMGFLSHTZMROMM-JCECYMMASA-N -1 0 327.424 3.634 20 0 EHADRM CC[C@@H](OC(=O)c1ccc(Oc2ccccc2)cn1)[C@H](C)C(=O)[O-] ZINC001595351756 980660770 /nfs/dbraw/zinc/66/07/70/980660770.db2.gz LGSSXUSMTINBPW-BLLLJJGKSA-N -1 0 329.352 3.530 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)N[C@@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC001595355982 980707404 /nfs/dbraw/zinc/70/74/04/980707404.db2.gz UVDVRDYXWBPRNS-QZTJIDSGSA-N -1 0 347.455 3.673 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC001595356020 980708014 /nfs/dbraw/zinc/70/80/14/980708014.db2.gz WHJCTAYLGHYGPB-ZDUSSCGKSA-N -1 0 325.792 3.715 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N([C@@H](C)C(=O)[O-])C1CCC1 ZINC001595356383 980711515 /nfs/dbraw/zinc/71/15/15/980711515.db2.gz CXLMQIXUSDGVBD-WMLDXEAASA-N -1 0 347.455 3.822 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1scc(C(=O)[O-])c1C ZINC001595357348 980721417 /nfs/dbraw/zinc/72/14/17/980721417.db2.gz WGINGTXVPPMZDZ-CQSZACIVSA-N -1 0 333.409 3.859 20 0 EHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000902091382 980728675 /nfs/dbraw/zinc/72/86/75/980728675.db2.gz GZWXMLVZBIYGJL-IOASZLSFSA-N -1 0 342.395 3.833 20 0 EHADRM C[C@H](Nc1cccc(NC(=O)c2cccs2)c1)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000902092601 980729279 /nfs/dbraw/zinc/72/92/79/980729279.db2.gz XJGYWOPQAZJIEV-BPNCWPANSA-N -1 0 330.409 3.522 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001595358311 980731132 /nfs/dbraw/zinc/73/11/32/980731132.db2.gz ATAPDLSJXIIFTK-HNNXBMFYSA-N -1 0 335.469 3.851 20 0 EHADRM O=C([O-])CCC[C@H]1CCC[C@H](Nc2ccc(Cn3cncn3)cc2)C1 ZINC000902101107 980734483 /nfs/dbraw/zinc/73/44/83/980734483.db2.gz LIBTWKAECNCABO-QAPCUYQASA-N -1 0 342.443 3.552 20 0 EHADRM Cn1cnnc1-c1cccc(N[C@@H]2CCC[C@H](CCCC(=O)[O-])C2)c1 ZINC000902139056 980753127 /nfs/dbraw/zinc/75/31/27/980753127.db2.gz MDLVIWAOIKQTQL-GDBMZVCRSA-N -1 0 342.443 3.708 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1coc(C(C)(C)C)n1 ZINC001595360657 980753667 /nfs/dbraw/zinc/75/36/67/980753667.db2.gz LFGZPNXDRIVJFU-HNNXBMFYSA-N -1 0 344.411 3.650 20 0 EHADRM O=C([O-])/C=C\c1ccc(CNc2ccc(N3CCCC3)c(F)c2)o1 ZINC000902154606 980760669 /nfs/dbraw/zinc/76/06/69/980760669.db2.gz VROARMLEEDHUJA-VURMDHGXSA-N -1 0 330.359 3.729 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@H](C)OC1CCCCC1 ZINC001595361451 980761999 /nfs/dbraw/zinc/76/19/99/980761999.db2.gz IARDMZFGABWHBH-YJBOKZPZSA-N -1 0 347.455 3.789 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])Cc1cn(C(C)C)nc1C ZINC001595362913 980776146 /nfs/dbraw/zinc/77/61/46/980776146.db2.gz SNIBMJCZLSOYQN-SFHVURJKSA-N -1 0 329.444 3.810 20 0 EHADRM Cc1ccc(NCc2cc(C(=O)[O-])cs2)cc1C(=O)NC(C)C ZINC000902238878 980796034 /nfs/dbraw/zinc/79/60/34/980796034.db2.gz LJLVERIBFOVICP-UHFFFAOYSA-N -1 0 332.425 3.505 20 0 EHADRM CC(=O)N(Cc1ccc(NCc2cc(C)c(C(=O)[O-])o2)cc1)C(C)C ZINC000902281984 980815531 /nfs/dbraw/zinc/81/55/31/980815531.db2.gz OMTZYEYDJSBITF-UHFFFAOYSA-N -1 0 344.411 3.655 20 0 EHADRM C[C@H](Nc1cccc(NC(=O)C2CCCCC2)c1)[C@H]1C[C@@H]1C(=O)[O-] ZINC000902368439 980856780 /nfs/dbraw/zinc/85/67/80/980856780.db2.gz QWJCKJHOTLUDDF-VUCTXSBTSA-N -1 0 330.428 3.727 20 0 EHADRM CCC1(CC)[C@H](Nc2cc(C(F)(F)F)c(C(=O)[O-])cn2)C[C@@H]1OC ZINC001595373647 980875352 /nfs/dbraw/zinc/87/53/52/980875352.db2.gz NCASRMIJIHPKTJ-NEPJUHHUSA-N -1 0 346.349 3.804 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CNCc1c(Cl)cccc1OC(F)F ZINC000902430820 980883497 /nfs/dbraw/zinc/88/34/97/980883497.db2.gz BFUBXZXTMUCQDD-UHFFFAOYSA-N -1 0 345.729 3.831 20 0 EHADRM CCc1oc(CN[C@H]2CCCOc3cc(F)ccc32)cc1C(=O)[O-] ZINC000902430972 980883567 /nfs/dbraw/zinc/88/35/67/980883567.db2.gz GGXYHBJJZJWYFS-HNNXBMFYSA-N -1 0 333.359 3.683 20 0 EHADRM CC[C@]1(CCc2ccccc2)CCCN1C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001595376671 980907768 /nfs/dbraw/zinc/90/77/68/980907768.db2.gz HUFKMNCGSHZNES-FUHIMQAGSA-N -1 0 329.440 3.501 20 0 EHADRM CC[C@@]1(Cc2ccccc2)CCCN1C(=O)c1ccoc1CC(=O)[O-] ZINC001595383786 980929157 /nfs/dbraw/zinc/92/91/57/980929157.db2.gz FCUAURGADKPLRG-FQEVSTJZSA-N -1 0 341.407 3.534 20 0 EHADRM CCC1(c2ccccc2)CN(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)C1 ZINC001595397561 980966196 /nfs/dbraw/zinc/96/61/96/980966196.db2.gz TUDBIJSFHHRKAS-UHFFFAOYSA-N -1 0 338.407 3.889 20 0 EHADRM CCC1CCC(CNC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])CC1 ZINC001595415482 981028213 /nfs/dbraw/zinc/02/82/13/981028213.db2.gz CZVGQHRSYUMWQG-UHFFFAOYSA-N -1 0 342.439 3.741 20 0 EHADRM CCC1CCC(NC(=O)Cc2ccc(F)c(Cl)c2)(C(=O)[O-])CC1 ZINC001595422038 981040948 /nfs/dbraw/zinc/04/09/48/981040948.db2.gz HYJIXNOXKLRAAV-UHFFFAOYSA-N -1 0 341.810 3.561 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(C(F)(F)F)cnc1C(=O)[O-] ZINC001595441240 981078848 /nfs/dbraw/zinc/07/88/48/981078848.db2.gz OWDKDDQSXCENSV-KOLCDFICSA-N -1 0 344.333 3.954 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc(Oc3cccnc3)cc2)C1 ZINC000905115910 981089349 /nfs/dbraw/zinc/08/93/49/981089349.db2.gz RLGNGNMAFJUUIJ-KGLIPLIRSA-N -1 0 340.379 3.703 20 0 EHADRM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001595448497 981099109 /nfs/dbraw/zinc/09/91/09/981099109.db2.gz RNHVAONYKPCIDN-CHWSQXEVSA-N -1 0 339.457 3.987 20 0 EHADRM CC[C@H]1CCCCN1C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001595451001 981105192 /nfs/dbraw/zinc/10/51/92/981105192.db2.gz GDVMTPNPJWVBHN-ZDUSSCGKSA-N -1 0 334.416 3.968 20 0 EHADRM CCC1CCN(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)CC1 ZINC001595459291 981137019 /nfs/dbraw/zinc/13/70/19/981137019.db2.gz FRBSHXZHDFDRTR-UHFFFAOYSA-N -1 0 334.416 3.826 20 0 EHADRM CC[C@@H]1CCN(C(=O)Nc2cccc(SCCC(=O)[O-])c2)[C@H]1C ZINC001595460023 981141816 /nfs/dbraw/zinc/14/18/16/981141816.db2.gz QGQHMCAUKXXGCR-QWHCGFSZSA-N -1 0 336.457 3.906 20 0 EHADRM COc1c(NC(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)cccc1C(=O)[O-] ZINC000906500044 981170057 /nfs/dbraw/zinc/17/00/57/981170057.db2.gz JWNTVDDCDGWBPB-KBPBESRZSA-N -1 0 343.354 3.665 20 0 EHADRM Cc1ccc(F)c2oc(C(=O)N3CCC[C@H](C(C)(C)C(=O)[O-])C3)cc21 ZINC000907629437 981202023 /nfs/dbraw/zinc/20/20/23/981202023.db2.gz QTZZLRQZMPFVRB-LBPRGKRZSA-N -1 0 347.386 3.843 20 0 EHADRM CC[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 ZINC001595484106 981216925 /nfs/dbraw/zinc/21/69/25/981216925.db2.gz NOONVDLJOXJGOE-GLXFQSAKSA-N -1 0 332.227 3.618 20 0 EHADRM CC[C@@H]1CN([C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C[C@H](CC)O1 ZINC001595484116 981217034 /nfs/dbraw/zinc/21/70/34/981217034.db2.gz NSSULSSFTQQRHZ-ZNMIVQPWSA-N -1 0 345.361 3.721 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3ccc4ccccc4c3)[C@@H]2C1 ZINC000907941610 981242747 /nfs/dbraw/zinc/24/27/47/981242747.db2.gz SLGSCYBVLFYFSF-FFDFYAMSSA-N -1 0 349.430 3.559 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)c1ccc(/C=C/C(=O)[O-])o1)C(C)(C)C ZINC000908118860 981266017 /nfs/dbraw/zinc/26/60/17/981266017.db2.gz GIJVNLJQTMERIR-SYJIQKIWSA-N -1 0 342.395 3.598 20 0 EHADRM CC[C@H]1c2ccc(OC)c(OC)c2CCN1Cc1ccc(C(=O)[O-])o1 ZINC001595500372 981272043 /nfs/dbraw/zinc/27/20/43/981272043.db2.gz YWQQVDSGDLPHNC-HNNXBMFYSA-N -1 0 345.395 3.504 20 0 EHADRM CC[C@H]1c2ccsc2CCN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001595504303 981278713 /nfs/dbraw/zinc/27/87/13/981278713.db2.gz KAZVARZZVQQSIN-AWEZNQCLSA-N -1 0 330.409 3.988 20 0 EHADRM CC/C=C(/F)C(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001595508148 981295526 /nfs/dbraw/zinc/29/55/26/981295526.db2.gz RQQUYOVTYBBVHH-MCRQLQJRSA-N -1 0 334.174 3.673 20 0 EHADRM CCSc1ccccc1CC(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908332821 981300379 /nfs/dbraw/zinc/30/03/79/981300379.db2.gz KUGXARLJXNBUHY-UHFFFAOYSA-N -1 0 349.496 3.883 20 0 EHADRM CC/C=C/[C@@H](OC(=O)CCc1nc(C)c(-c2ccccc2)o1)C(=O)[O-] ZINC001595513229 981302384 /nfs/dbraw/zinc/30/23/84/981302384.db2.gz DRYXBULCUCJHTR-GSDOMDMQSA-N -1 0 343.379 3.545 20 0 EHADRM Cc1ccc2cccc(C(=O)NCCCCC3(C(=O)[O-])CCC3)c2n1 ZINC000908338330 981302902 /nfs/dbraw/zinc/30/29/02/981302902.db2.gz IUUQZRYCFGQEHM-UHFFFAOYSA-N -1 0 340.423 3.698 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908337657 981303062 /nfs/dbraw/zinc/30/30/62/981303062.db2.gz FHYXPQOXWMZTOG-AWEZNQCLSA-N -1 0 335.419 3.546 20 0 EHADRM Cc1ccoc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000908402405 981312110 /nfs/dbraw/zinc/31/21/10/981312110.db2.gz AAOVSMQUJOHOPN-LBPRGKRZSA-N -1 0 341.285 3.553 20 0 EHADRM COc1c(NC(=O)C[C@@H]2CCCc3ccccc32)cccc1C(=O)[O-] ZINC000908508398 981319784 /nfs/dbraw/zinc/31/97/84/981319784.db2.gz UYEZTUSHTFJJDC-AWEZNQCLSA-N -1 0 339.391 3.842 20 0 EHADRM O=C([O-])Cc1csc(NC(=O)c2ccc(C3CCCC3)cc2)n1 ZINC000908579137 981320893 /nfs/dbraw/zinc/32/08/93/981320893.db2.gz BABFTFCNMOYFCB-UHFFFAOYSA-N -1 0 330.409 3.680 20 0 EHADRM Cc1ccc2sc(C(=O)N3CCC4(C[C@H]4C(=O)[O-])CC3)cc2c1 ZINC000908656090 981335216 /nfs/dbraw/zinc/33/52/16/981335216.db2.gz RQEQARIKUBMQRA-ZDUSSCGKSA-N -1 0 329.421 3.537 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@H]3CCSc4ccc(F)cc43)(CC1)C2 ZINC000908707708 981343840 /nfs/dbraw/zinc/34/38/40/981343840.db2.gz VOBNYRIANDGTKE-TZYSRNFLSA-N -1 0 349.427 3.514 20 0 EHADRM CC(C)[C@H](CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2)c1ccccc1 ZINC000908736546 981350261 /nfs/dbraw/zinc/35/02/61/981350261.db2.gz MCJOGHMFCORUSH-RPCJCACASA-N -1 0 343.467 3.968 20 0 EHADRM CN(Cc1csc2ccccc12)C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000908739192 981351219 /nfs/dbraw/zinc/35/12/19/981351219.db2.gz UIKOVPUJHMFTSD-UHFFFAOYSA-N -1 0 343.448 3.895 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)c3ccoc3CC(=O)[O-])ccc21 ZINC000908758475 981354984 /nfs/dbraw/zinc/35/49/84/981354984.db2.gz LTCNIRNQYDVAIL-UHFFFAOYSA-N -1 0 340.379 3.770 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC000908799817 981364580 /nfs/dbraw/zinc/36/45/80/981364580.db2.gz BOCINRHLARFXHU-PBFPGSCMSA-N -1 0 340.423 3.588 20 0 EHADRM CCC[C@H](C(=O)N1CCC[C@H](c2ncc(C(=O)[O-])s2)C1)C(C)C ZINC001595532164 981371138 /nfs/dbraw/zinc/37/11/38/981371138.db2.gz FXDSLJHPFRNMBZ-STQMWFEESA-N -1 0 338.473 3.620 20 0 EHADRM CCS[C@@H]1CC[C@@H](N(C)C(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1 ZINC000908835644 981372760 /nfs/dbraw/zinc/37/27/60/981372760.db2.gz PSMQPJVLMIEGCE-JDPPGYRCSA-N -1 0 339.501 3.544 20 0 EHADRM CCC[C@H](C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1)c1cccc(Cl)c1 ZINC001595536254 981381916 /nfs/dbraw/zinc/38/19/16/981381916.db2.gz UEPDOZFUUNBDKX-KCXAZCMYSA-N -1 0 337.847 3.983 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1)C(=O)[O-] ZINC000908888306 981382686 /nfs/dbraw/zinc/38/26/86/981382686.db2.gz RKVUAROVRLPLPQ-CWSCBRNRSA-N -1 0 331.334 3.582 20 0 EHADRM CCC[C@@H](C(=O)Nc1ccc(C(=O)[O-])nc1)c1ccc(Cl)cc1 ZINC001595536790 981384179 /nfs/dbraw/zinc/38/41/79/981384179.db2.gz DKYXIVOMVNJTRW-CQSZACIVSA-N -1 0 332.787 3.956 20 0 EHADRM Cc1ccc(CCC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])s1 ZINC000909067516 981410227 /nfs/dbraw/zinc/41/02/27/981410227.db2.gz HLDHAGSCPRVIHM-DYVFJYSZSA-N -1 0 331.437 3.567 20 0 EHADRM C/C(=C\C(C)(C)C)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000909135524 981425305 /nfs/dbraw/zinc/42/53/05/981425305.db2.gz BZDVSLKLJVZWAI-ZRDIBKRKSA-N -1 0 340.423 3.743 20 0 EHADRM CCC(C)(C)OCC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000909223997 981435519 /nfs/dbraw/zinc/43/55/19/981435519.db2.gz AMCITGVYLVJLIG-UHFFFAOYSA-N -1 0 339.457 3.538 20 0 EHADRM C[C@H](C(=O)NCC1(C(=O)[O-])CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000909275052 981456724 /nfs/dbraw/zinc/45/67/24/981456724.db2.gz BMEJVWUQVBDJIJ-NSHDSACASA-N -1 0 343.345 3.570 20 0 EHADRM CCCc1[nH]ccc1C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000909372524 981476324 /nfs/dbraw/zinc/47/63/24/981476324.db2.gz YTTJWSWBIMMPCC-HNNXBMFYSA-N -1 0 334.803 3.566 20 0 EHADRM CCS[C@H]1CCC[C@H](NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1 ZINC000909415802 981489630 /nfs/dbraw/zinc/48/96/30/981489630.db2.gz RSFBTHLRTDAPQL-DIOPXHOYSA-N -1 0 339.501 3.592 20 0 EHADRM CCC[C@H](CC(C)C)C(=O)N[C@](C)(Cc1ccc(F)cc1)C(=O)[O-] ZINC001595579877 981512016 /nfs/dbraw/zinc/51/20/16/981512016.db2.gz VHNLYIRWIQKIJJ-DNVCBOLYSA-N -1 0 337.435 3.790 20 0 EHADRM COc1cccc([C@@H](C)CCCC(=O)N2CCCC[C@@H]2CC(=O)[O-])c1 ZINC000909500538 981512713 /nfs/dbraw/zinc/51/27/13/981512713.db2.gz VAIJGUIVXYHPJO-DOTOQJQBSA-N -1 0 347.455 3.825 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000909513051 981520688 /nfs/dbraw/zinc/52/06/88/981520688.db2.gz NHNHMKYUKSFOIT-RHSMWYFYSA-N -1 0 333.428 3.781 20 0 EHADRM Cc1nc(CC(C)C)oc1C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000909513797 981521556 /nfs/dbraw/zinc/52/15/56/981521556.db2.gz UWRCZLDZTKZKJE-UHFFFAOYSA-N -1 0 330.384 3.749 20 0 EHADRM CCC[C@H](CC)C(=O)Oc1cc(Br)cc(C(=O)[O-])c1 ZINC001595586174 981530003 /nfs/dbraw/zinc/53/00/03/981530003.db2.gz QXNYJYHVTQRUSC-VIFPVBQESA-N -1 0 329.190 3.879 20 0 EHADRM CCCC(CCC)C(=O)Nc1cc(C(F)(F)F)cnc1C(=O)[O-] ZINC001595586578 981534179 /nfs/dbraw/zinc/53/41/79/981534179.db2.gz FRHZAGDJBFAABI-UHFFFAOYSA-N -1 0 332.322 3.954 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000909550320 981538753 /nfs/dbraw/zinc/53/87/53/981538753.db2.gz BLCGJNFKTYAEGH-HLTSBHQESA-N -1 0 341.451 3.816 20 0 EHADRM CCC[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001595591905 981548956 /nfs/dbraw/zinc/54/89/56/981548956.db2.gz PJQXCRHBSNMLDP-FGTMMUONSA-N -1 0 331.456 3.795 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@@H]3CCCc4sccc43)(CC1)CC2 ZINC000909725267 981580639 /nfs/dbraw/zinc/58/06/39/981580639.db2.gz UDLXDZDZFNGWQZ-NLNFPOJYSA-N -1 0 333.453 3.667 20 0 EHADRM CC(C)(C)[C@H]1CN(C(=O)c2csc(C(=O)[O-])n2)c2ccccc21 ZINC000909730492 981584049 /nfs/dbraw/zinc/58/40/49/981584049.db2.gz OQRKWJQZEVYSMI-NSHDSACASA-N -1 0 330.409 3.631 20 0 EHADRM CCC[C@@H](NS(=O)(=O)c1cccc(Cl)c1C(=O)[O-])C(C)(C)C ZINC001595605008 981591207 /nfs/dbraw/zinc/59/12/07/981591207.db2.gz VROCCTZGQKCHRI-GFCCVEGCSA-N -1 0 347.864 3.531 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N(Cc1cccc(C(F)(F)F)c1)CC(C)C ZINC001594741940 981616451 /nfs/dbraw/zinc/61/64/51/981616451.db2.gz ZMSOTVFLIPFAFF-AWEZNQCLSA-N -1 0 345.361 3.801 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC001594743352 981622417 /nfs/dbraw/zinc/62/24/17/981622417.db2.gz ORZQBAUSADFUJY-UONOGXRCSA-N -1 0 343.345 3.870 20 0 EHADRM CCC[C@@]1(C)CCCN(C(=O)NCc2ccc(C(=O)[O-])c(OC)c2)C1 ZINC001595616334 981643163 /nfs/dbraw/zinc/64/31/63/981643163.db2.gz RRAFKEKYSIRUMP-IBGZPJMESA-N -1 0 348.443 3.505 20 0 EHADRM C[C@@H](NC(=O)CC(C)(C)CC(F)F)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000909823832 981645543 /nfs/dbraw/zinc/64/55/43/981645543.db2.gz PUYPHVDIGPXAKV-OCCSQVGLSA-N -1 0 341.398 3.506 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)CCO1 ZINC000909831200 981648946 /nfs/dbraw/zinc/64/89/46/981648946.db2.gz NTUNPVNVAQVTFX-ZQIUZPCESA-N -1 0 333.428 3.655 20 0 EHADRM CCCC1(CNC(=O)NCCc2cc3ccc(C(=O)[O-])cc3o2)CC1 ZINC001595617194 981650308 /nfs/dbraw/zinc/65/03/08/981650308.db2.gz TUKMDPADUSZGOB-UHFFFAOYSA-N -1 0 344.411 3.553 20 0 EHADRM C[C@@H](OCc1ccc(F)cc1)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000909835179 981653098 /nfs/dbraw/zinc/65/30/98/981653098.db2.gz DYXSRTMTCPVGRB-CHWSQXEVSA-N -1 0 345.370 3.558 20 0 EHADRM COc1cccc2c1[C@H](C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1)CC2 ZINC000909836808 981657371 /nfs/dbraw/zinc/65/73/71/981657371.db2.gz SEUIACVTEOHLHC-BLLLJJGKSA-N -1 0 339.391 3.552 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2CCC(=O)c3ccccc32)cc1 ZINC000909837064 981657976 /nfs/dbraw/zinc/65/79/76/981657976.db2.gz SZRKJXXJXIDXIZ-SJKOYZFVSA-N -1 0 337.375 3.574 20 0 EHADRM CCC[C@@H]1C[C@H](C(=O)O[C@H](C(=O)[O-])c2ccccc2Cl)CCO1 ZINC001595620414 981689249 /nfs/dbraw/zinc/68/92/49/981689249.db2.gz HLVSDMBXSUFREQ-JMSVASOKSA-N -1 0 340.803 3.604 20 0 EHADRM CC(C)Sc1ccc(C(=O)NC(C)(C)c2cc(C(=O)[O-])on2)cc1 ZINC000909927535 981704053 /nfs/dbraw/zinc/70/40/53/981704053.db2.gz YYWMIPXBNQWSJS-UHFFFAOYSA-N -1 0 348.424 3.538 20 0 EHADRM CCC[C@H]1CCCC[C@@H]1NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001595622460 981710288 /nfs/dbraw/zinc/71/02/88/981710288.db2.gz TZYDCMJTKLWGPL-CYJAXWMASA-N -1 0 336.476 3.632 20 0 EHADRM Cc1oc2ccccc2c1C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000909955619 981710345 /nfs/dbraw/zinc/71/03/45/981710345.db2.gz ANAXGGMUXUCGLO-YCPHGPKFSA-N -1 0 341.407 3.847 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)Cc1cc(C)cc(C)c1)c1ccccc1 ZINC001594767086 981724222 /nfs/dbraw/zinc/72/42/22/981724222.db2.gz ARJSTJXWEKPXOC-SFHVURJKSA-N -1 0 325.408 3.742 20 0 EHADRM CCSc1ccc(CC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000910040103 981739518 /nfs/dbraw/zinc/73/95/18/981739518.db2.gz OTCSTMVKYKFEJI-UHFFFAOYSA-N -1 0 341.432 3.582 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1nc(C(C)C)oc1C)c1ccccc1 ZINC001594771192 981745457 /nfs/dbraw/zinc/74/54/57/981745457.db2.gz QPLQAXSDWBNKLH-CQSZACIVSA-N -1 0 330.384 3.616 20 0 EHADRM CC[C@H](C(=O)OCc1ccc(C(=O)[O-])cc1F)c1ccc(OC)cc1 ZINC001594776253 981766109 /nfs/dbraw/zinc/76/61/09/981766109.db2.gz VODBQJYKTZRCOP-INIZCTEOSA-N -1 0 346.354 3.770 20 0 EHADRM Cc1cc(C(=O)N[C@@H](C)c2ncc(C(=O)[O-])s2)c(C)cc1Cl ZINC000910154466 981767701 /nfs/dbraw/zinc/76/77/01/981767701.db2.gz ZZXIMZRMUAYLLO-VIFPVBQESA-N -1 0 338.816 3.603 20 0 EHADRM CCCCNc1ccccc1C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000910159755 981768269 /nfs/dbraw/zinc/76/82/69/981768269.db2.gz JPGFNRPQGYPVJQ-LLVKDONJSA-N -1 0 347.440 3.544 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)C[C@H](C)c1ccccc1F ZINC001594780619 981784266 /nfs/dbraw/zinc/78/42/66/981784266.db2.gz GJXUIBOIXPPMKJ-ORAYPTAESA-N -1 0 335.419 3.811 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001594782381 981789579 /nfs/dbraw/zinc/78/95/79/981789579.db2.gz OKPSZLPJCSTVGV-FUHIMQAGSA-N -1 0 347.430 3.811 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)CC[C@@H]1CCc2ccccc21 ZINC001594783519 981795469 /nfs/dbraw/zinc/79/54/69/981795469.db2.gz XZCVYMJEJYIKKO-UWJYYQICSA-N -1 0 343.467 3.989 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000910240501 981807459 /nfs/dbraw/zinc/80/74/59/981807459.db2.gz ABEPOKLCCSMABK-QWHCGFSZSA-N -1 0 329.318 3.621 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)[C@H]2CCC[C@@H]21 ZINC000910241130 981809228 /nfs/dbraw/zinc/80/92/28/981809228.db2.gz TYGFPZBWHPFOIQ-MNWMBMHPSA-N -1 0 333.472 3.695 20 0 EHADRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)CCC1CCC1 ZINC000910255123 981831812 /nfs/dbraw/zinc/83/18/12/981831812.db2.gz MYNHANFVXMEVFO-UHFFFAOYSA-N -1 0 340.217 3.975 20 0 EHADRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)C1=CCCCC1 ZINC000910255608 981832981 /nfs/dbraw/zinc/83/29/81/981832981.db2.gz OAYNFFRBLVLQQS-UHFFFAOYSA-N -1 0 338.201 3.895 20 0 EHADRM CCCC[C@@H](C)C(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001595631147 981834240 /nfs/dbraw/zinc/83/42/40/981834240.db2.gz DUWZMUCEWXIMLP-GFCCVEGCSA-N -1 0 346.452 3.951 20 0 EHADRM Cc1cc(CNC(=O)c2ccccc2COC(C)(C)C)oc1C(=O)[O-] ZINC000910301933 981860057 /nfs/dbraw/zinc/86/00/57/981860057.db2.gz LLYTWHXYKTWITI-UHFFFAOYSA-N -1 0 345.395 3.531 20 0 EHADRM CCCC[C@@H](CCC)NC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001595633049 981864668 /nfs/dbraw/zinc/86/46/68/981864668.db2.gz AJLRKROHFQTZIX-CQSZACIVSA-N -1 0 330.428 3.815 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(C)c2cccnc12 ZINC001594793531 981865680 /nfs/dbraw/zinc/86/56/80/981865680.db2.gz UKSRQZJUMJGKJW-FQEVSTJZSA-N -1 0 340.423 3.649 20 0 EHADRM CCCC[C@H](NC(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1)C(=O)[O-] ZINC001595634065 981881394 /nfs/dbraw/zinc/88/13/94/981881394.db2.gz FQGAOVRJNOJBQI-BBRMVZONSA-N -1 0 335.444 3.511 20 0 EHADRM CCC(C)(C)CCS(=O)(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC001594800684 981888278 /nfs/dbraw/zinc/88/82/78/981888278.db2.gz DFVGWUSUTYOEJA-UHFFFAOYSA-N -1 0 334.821 3.573 20 0 EHADRM CCCC[C@@H](NC(=O)c1ccc(OC(C)C)cc1Cl)C(=O)[O-] ZINC001595636543 981918405 /nfs/dbraw/zinc/91/84/05/981918405.db2.gz AJKQXEHIIRROIG-CQSZACIVSA-N -1 0 327.808 3.500 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNc1nc(C2CC2)ns1 ZINC000910416848 981923681 /nfs/dbraw/zinc/92/36/81/981923681.db2.gz OJHMSHLRZRFSLW-UHFFFAOYSA-N -1 0 331.422 3.941 20 0 EHADRM CCC(C)(C)OCc1ccccc1NC(=O)NC1(CC(=O)[O-])CC1 ZINC001594814207 981937180 /nfs/dbraw/zinc/93/71/80/981937180.db2.gz IOVWJICXPFWBQO-UHFFFAOYSA-N -1 0 334.416 3.521 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@H](OCC1CCCC1)c1ccccc1 ZINC001594816967 981953781 /nfs/dbraw/zinc/95/37/81/981953781.db2.gz LFFJGBSNIRTGEP-QUCCMNQESA-N -1 0 347.455 3.694 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN(C(=O)c1sccc1C(F)F)C2 ZINC000910501515 981967340 /nfs/dbraw/zinc/96/73/40/981967340.db2.gz IFLGKTGYXVXPNC-UHFFFAOYSA-N -1 0 337.347 3.582 20 0 EHADRM C[C@@H]1CCN(C(=O)CCc2ccccc2C(=O)[O-])[C@H]1c1ccccc1 ZINC000910544523 981988696 /nfs/dbraw/zinc/98/86/96/981988696.db2.gz JDJJASISWIZZSN-FOIQADDNSA-N -1 0 337.419 3.927 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(/C=C/C(=O)[O-])o2)[C@@H]1c1ccccc1 ZINC000910544114 981988712 /nfs/dbraw/zinc/98/87/12/981988712.db2.gz HGATTYXFLLVHOR-LWWAGVBASA-N -1 0 325.364 3.601 20 0 EHADRM CCCC[C@H](OC(=O)c1csc(Cc2ccc(C)cc2)n1)C(=O)[O-] ZINC001595650984 982015420 /nfs/dbraw/zinc/01/54/20/982015420.db2.gz ARSBKCQGWQAEEN-HNNXBMFYSA-N -1 0 347.436 3.843 20 0 EHADRM CCCC[C@@H](S[C@H](C)C(=O)N1CCCc2ccccc21)C(=O)[O-] ZINC001595650974 982015525 /nfs/dbraw/zinc/01/55/25/982015525.db2.gz AORMPBFHKNKCCJ-CZUORRHYSA-N -1 0 335.469 3.731 20 0 EHADRM CCCC[C@@H](OC(=O)Cc1csc(-c2cccs2)n1)C(=O)[O-] ZINC001595651168 982018525 /nfs/dbraw/zinc/01/85/25/982018525.db2.gz RLKUJKYSGKVZGR-LLVKDONJSA-N -1 0 339.438 3.601 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)Nc1nc(C2CC2)cs1)C(=O)[O-] ZINC000910630982 982034337 /nfs/dbraw/zinc/03/43/37/982034337.db2.gz REJDFMVHSBEBHW-SECBINFHSA-N -1 0 348.449 3.838 20 0 EHADRM CCCC[C@H](S[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)C(C)C)C(=O)[O-] ZINC001595652704 982035947 /nfs/dbraw/zinc/03/59/47/982035947.db2.gz WNRWGINLDFLCJD-FZKCQIBNSA-N -1 0 343.533 3.892 20 0 EHADRM CCCC[C@H](S[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1)C(=O)[O-] ZINC001595652675 982036196 /nfs/dbraw/zinc/03/61/96/982036196.db2.gz WFVWDQCKLJWVAO-DOMZBBRYSA-N -1 0 337.441 3.593 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2nc3c(cc(C)cc3C)s2)cc1 ZINC000006316294 1014793183 /nfs/dbraw/zinc/79/31/83/1014793183.db2.gz AWSGVVWJUSFEFT-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM CC(C)Cn1ncc(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)c1C(C)C ZINC000910649697 982041444 /nfs/dbraw/zinc/04/14/44/982041444.db2.gz JPULRUBGVMNNET-UHFFFAOYSA-N -1 0 347.459 3.636 20 0 EHADRM Cc1c(NC(=O)c2cc(C(=O)[O-])ccc2Cl)cnn1C1CCCC1 ZINC000910655832 982043378 /nfs/dbraw/zinc/04/33/78/982043378.db2.gz KMNFODCUKPKAOF-UHFFFAOYSA-N -1 0 347.802 3.911 20 0 EHADRM CCCC[C@H](S[C@@H]1CCCN(c2ccccc2F)C1=O)C(=O)[O-] ZINC001595655884 982048588 /nfs/dbraw/zinc/04/85/88/982048588.db2.gz QFSYRPFFROHGKC-CABCVRRESA-N -1 0 339.432 3.698 20 0 EHADRM CCCC[C@H](SCc1nc2c3ccccc3oc2c(=O)[nH]1)C(=O)[O-] ZINC001595657706 982065582 /nfs/dbraw/zinc/06/55/82/982065582.db2.gz QTGVCSKDTGMTJP-LBPRGKRZSA-N -1 0 346.408 3.958 20 0 EHADRM CC(C)C[C@H](C)OCCC(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC000910700449 982070999 /nfs/dbraw/zinc/07/09/99/982070999.db2.gz ZFJMMKRVAYTLSI-NSHDSACASA-N -1 0 342.461 3.745 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)/C=C2\CC[C@@H](C)C2)nc1C(=O)[O-] ZINC000910720387 982082937 /nfs/dbraw/zinc/08/29/37/982082937.db2.gz GPYLMNNCYOYMSW-NMZMLBIFSA-N -1 0 334.441 3.560 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)[C@H]2CCCC2(C)C)nc1C(=O)[O-] ZINC000910721403 982084085 /nfs/dbraw/zinc/08/40/85/982084085.db2.gz KJNCMBBJTJEDCH-VXGBXAGGSA-N -1 0 336.457 3.640 20 0 EHADRM C/C=C(/C=C/C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1)CC ZINC000910721922 982085263 /nfs/dbraw/zinc/08/52/63/982085263.db2.gz ODDRDKBCFCZIST-LPRMSLTLSA-N -1 0 334.441 3.726 20 0 EHADRM CC[C@](C)(NCc1coc(-c2ccc(C(=O)[O-])cc2)n1)C(F)(F)F ZINC001594852749 982097284 /nfs/dbraw/zinc/09/72/84/982097284.db2.gz RFXGMRCWNDXUFK-HNNXBMFYSA-N -1 0 342.317 3.860 20 0 EHADRM CCCCC[C@@](C)(CC)C(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001595666462 982101703 /nfs/dbraw/zinc/10/17/03/982101703.db2.gz JUHKHBARADNMBH-FZKQIMNGSA-N -1 0 335.448 3.529 20 0 EHADRM CCCCC[C@H](CC)C(=O)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001595668614 982111020 /nfs/dbraw/zinc/11/10/20/982111020.db2.gz CCJDBNCALXHEFZ-AWEZNQCLSA-N -1 0 333.428 3.712 20 0 EHADRM CCCCC[C@@H](CC)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC001595668927 982112283 /nfs/dbraw/zinc/11/22/83/982112283.db2.gz DSSAVTPRAKGLSH-UPJWGTAASA-N -1 0 337.382 3.705 20 0 EHADRM CCCCC[C@@H](CC)C(=O)N1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001595669810 982115024 /nfs/dbraw/zinc/11/50/24/982115024.db2.gz JWNLSNKWRCOLPW-CYBMUJFWSA-N -1 0 336.432 3.685 20 0 EHADRM CCCCC[C@@H](NC(=O)[C@@H](C)Oc1cccc2ccccc21)C(=O)[O-] ZINC001595670721 982121244 /nfs/dbraw/zinc/12/12/44/982121244.db2.gz UTSQMZBHEVCQPZ-RHSMWYFYSA-N -1 0 343.423 3.757 20 0 EHADRM CCCCC[C@@H](NC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001595671107 982123419 /nfs/dbraw/zinc/12/34/19/982123419.db2.gz ZMOXPYPREHKNKP-OLZOCXBDSA-N -1 0 349.324 3.866 20 0 EHADRM O=C([O-])CC1CC(NC(=O)C2(c3ccccc3)CCCCCC2)C1 ZINC000910805076 982126071 /nfs/dbraw/zinc/12/60/71/982126071.db2.gz NDIGFZAVSAIZDR-UHFFFAOYSA-N -1 0 329.440 3.648 20 0 EHADRM C[C@H](CC(=O)NCC(C)(C)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000910820465 982138132 /nfs/dbraw/zinc/13/81/32/982138132.db2.gz AVKUHEZPMFPHLZ-LLVKDONJSA-N -1 0 345.361 3.816 20 0 EHADRM CCCCC[C@H](NC(=O)c1cc(-c2ccccc2)ns1)C(=O)[O-] ZINC001595676742 982148178 /nfs/dbraw/zinc/14/81/78/982148178.db2.gz ONJVAMUXWXWCCZ-ZDUSSCGKSA-N -1 0 332.425 3.573 20 0 EHADRM Cc1cc(C(=O)Nc2ccccc2COC(C)(C)C)oc1C(=O)[O-] ZINC000910943577 982169768 /nfs/dbraw/zinc/16/97/68/982169768.db2.gz FACMRMXODRIJOO-UHFFFAOYSA-N -1 0 331.368 3.854 20 0 EHADRM CCC[C@@H]1C[C@@H](C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)CCO1 ZINC000910948368 982173679 /nfs/dbraw/zinc/17/36/79/982173679.db2.gz ZFMGLORFOZLZMJ-WCQYABFASA-N -1 0 337.441 3.641 20 0 EHADRM CCO[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1CC)c1ccccc1 ZINC000910954705 982175070 /nfs/dbraw/zinc/17/50/70/982175070.db2.gz PJICZAMUUQAYFS-KRWDZBQOSA-N -1 0 327.380 3.664 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC001594866620 982176606 /nfs/dbraw/zinc/17/66/06/982176606.db2.gz SOJXXEOAKZHKQN-KBXCAEBGSA-N -1 0 340.423 3.568 20 0 EHADRM CCCCCCC(=O)N[C@@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC001595689560 982187638 /nfs/dbraw/zinc/18/76/38/982187638.db2.gz CZEVQXUQQBKGAA-CQSZACIVSA-N -1 0 347.333 3.798 20 0 EHADRM CC(C)c1ccccc1C(=O)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC000911046898 982212470 /nfs/dbraw/zinc/21/24/70/982212470.db2.gz KHZRFQYOYGSXDA-GFCCVEGCSA-N -1 0 344.436 3.594 20 0 EHADRM Cc1cc(NC(=O)c2ccc(C3CCOCC3)cc2)cc(C(=O)[O-])c1 ZINC000911067146 982224048 /nfs/dbraw/zinc/22/40/48/982224048.db2.gz KWZWFAAFERGILI-UHFFFAOYSA-N -1 0 339.391 3.840 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)Nc1cccc(COC(C)(C)C)c1 ZINC000911081876 982229093 /nfs/dbraw/zinc/22/90/93/982229093.db2.gz HFLUFKMAFLNVLE-UHFFFAOYSA-N -1 0 331.368 3.854 20 0 EHADRM CCCCCC[C@H](C)CC(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)[O-] ZINC001595698001 982247718 /nfs/dbraw/zinc/24/77/18/982247718.db2.gz OXFOJQIQFNPDKL-KSSFIOAISA-N -1 0 347.455 3.727 20 0 EHADRM CCCCCC[C@H](C)CC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001595698370 982250885 /nfs/dbraw/zinc/25/08/85/982250885.db2.gz RNCWGFAJMSMMKK-KBPBESRZSA-N -1 0 335.448 3.529 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)CCCc1ccc2ccccc2c1)C(=O)[O-] ZINC001594887980 982276357 /nfs/dbraw/zinc/27/63/57/982276357.db2.gz WXQASHMWGJASMK-KUHUBIRLSA-N -1 0 327.424 3.778 20 0 EHADRM O=C([O-])C12CCC(C(=O)Nc3ccc(N4CCCC4)cc3)(CC1)CC2 ZINC000911211625 982287047 /nfs/dbraw/zinc/28/70/47/982287047.db2.gz FKIHVUZSNPUDDA-UHFFFAOYSA-N -1 0 342.439 3.651 20 0 EHADRM CCCCCCO[C@@H](C)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001595710933 982296955 /nfs/dbraw/zinc/29/69/55/982296955.db2.gz OMWRSAJHVNNNPR-JTQLQIEISA-N -1 0 329.343 3.587 20 0 EHADRM CC[C@@H](C)C(=O)N(Cc1ccoc1C(=O)[O-])[C@@H](C)c1ccccn1 ZINC000911330265 982354717 /nfs/dbraw/zinc/35/47/17/982354717.db2.gz HALICPCKCRAHAR-OLZOCXBDSA-N -1 0 330.384 3.509 20 0 EHADRM CCCCN(C)c1ccc(C(=O)N(C)C2(C(=O)[O-])CCCCC2)cc1 ZINC001595740745 982398712 /nfs/dbraw/zinc/39/87/12/982398712.db2.gz YVZRDIAVVLYRNG-UHFFFAOYSA-N -1 0 346.471 3.782 20 0 EHADRM CCCCN(C1CCCCC1)S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001595741083 982399664 /nfs/dbraw/zinc/39/96/64/982399664.db2.gz BJQOWQOHIHLAAP-UHFFFAOYSA-N -1 0 339.457 3.508 20 0 EHADRM CCc1nc(C)c([C@H](C)N(C)C(=O)/C=C\c2cc(C(=O)[O-])co2)s1 ZINC000911426366 982426830 /nfs/dbraw/zinc/42/68/30/982426830.db2.gz DYFYPMKIVGQLPC-ZADCQDASSA-N -1 0 348.424 3.538 20 0 EHADRM CC[C@@H](C)[C@H](Nc1ccc(NC(=O)c2ccco2)c(C)c1)C(=O)[O-] ZINC001594920047 982460752 /nfs/dbraw/zinc/46/07/52/982460752.db2.gz GVNZWAAKIKXVQA-BZNIZROVSA-N -1 0 330.384 3.752 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N2CCC[C@H]2c2ccc(F)cc2F)cc1 ZINC000911546645 982490664 /nfs/dbraw/zinc/49/06/64/982490664.db2.gz VJKMAOONGLQVHP-KRWDZBQOSA-N -1 0 345.345 3.569 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000911546680 982490687 /nfs/dbraw/zinc/49/06/87/982490687.db2.gz WAQFSWOUVRGRLQ-LBPRGKRZSA-N -1 0 346.402 3.514 20 0 EHADRM COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)CC(C)(C)CC(=O)[O-] ZINC000911573940 982511838 /nfs/dbraw/zinc/51/18/38/982511838.db2.gz SUTRMHPRYPCJMY-GDBMZVCRSA-N -1 0 347.455 3.886 20 0 EHADRM CC[C@@H](C)[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)[O-] ZINC001594930669 982554682 /nfs/dbraw/zinc/55/46/82/982554682.db2.gz ZDUYTSMJGGFQJT-IUODEOHRSA-N -1 0 345.468 3.795 20 0 EHADRM CCCCS[C@H](C)C(=O)N[C@]1(C(=O)[O-])CC[C@H](C)c2ccccc21 ZINC001595785674 982570806 /nfs/dbraw/zinc/57/08/06/982570806.db2.gz FAMFAZLGLYVJHA-IQUTYRLHSA-N -1 0 349.496 3.902 20 0 EHADRM CCCCS[C@H](C)C(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC001595785913 982573045 /nfs/dbraw/zinc/57/30/45/982573045.db2.gz MGKQPQGACPTOHB-GFCCVEGCSA-N -1 0 343.876 3.675 20 0 EHADRM CCCCS[C@H](C)C(=O)N1CCCc2c(C(=O)[O-])ccc(C)c21 ZINC001595786326 982575429 /nfs/dbraw/zinc/57/54/29/982575429.db2.gz SYQAHVFPBMDOIC-CYBMUJFWSA-N -1 0 335.469 3.894 20 0 EHADRM CCCCc1ccc([C@@H](NC(=O)CC(=O)[O-])c2cccs2)cc1 ZINC001595793002 982594149 /nfs/dbraw/zinc/59/41/49/982594149.db2.gz AFBLCIRCCYFLLJ-GOSISDBHSA-N -1 0 331.437 3.771 20 0 EHADRM CCCCc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2OC)cc1 ZINC001595794032 982597868 /nfs/dbraw/zinc/59/78/68/982597868.db2.gz WDZYWGBJAVNRJR-UHFFFAOYSA-N -1 0 327.380 3.988 20 0 EHADRM CCCCc1nc(C)c(CC(=O)Oc2ccc(CC(=O)[O-])cc2)s1 ZINC001595796732 982603347 /nfs/dbraw/zinc/60/33/47/982603347.db2.gz FLHJIJRAVQVRIZ-UHFFFAOYSA-N -1 0 347.436 3.569 20 0 EHADRM Cc1ccc(CC(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)cc1 ZINC000911739396 982622031 /nfs/dbraw/zinc/62/20/31/982622031.db2.gz QQVUUWRJICGBIH-UHFFFAOYSA-N -1 0 327.380 3.662 20 0 EHADRM CCCCn1ncc(C(=O)Nc2cccc(CCC(=O)[O-])c2)c1CC ZINC001595807325 982633784 /nfs/dbraw/zinc/63/37/84/982633784.db2.gz JTKBZHJYZZPTMW-UHFFFAOYSA-N -1 0 343.427 3.515 20 0 EHADRM CCCN(C(=O)[C@H](C)c1ccc(C(F)(F)F)cc1)[C@H](C)C(=O)[O-] ZINC001595813182 982653803 /nfs/dbraw/zinc/65/38/03/982653803.db2.gz HOSAFTXXEOYNAQ-GHMZBOCLSA-N -1 0 331.334 3.521 20 0 EHADRM CC[C@H](C)C[C@H](Nc1nc2cc(Br)ccc2o1)C(=O)[O-] ZINC001594952890 982674649 /nfs/dbraw/zinc/67/46/49/982674649.db2.gz OBNHYZIUTKLETI-KWQFWETISA-N -1 0 341.205 3.892 20 0 EHADRM CC[C@H](C)C[C@H](Nc1nn2cc(C3CCCC3)nc2s1)C(=O)[O-] ZINC001594953426 982680169 /nfs/dbraw/zinc/68/01/69/982680169.db2.gz SGLYXBHRAXMZFG-JQWIXIFHSA-N -1 0 336.461 3.750 20 0 EHADRM CC[C@@H](C)CCC(=O)N[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC001594957807 982693011 /nfs/dbraw/zinc/69/30/11/982693011.db2.gz NIIYWGAQHJIJKF-YGRLFVJLSA-N -1 0 342.233 3.517 20 0 EHADRM CCCN(C(=O)c1cc(Cl)cc(C(F)(F)F)c1)[C@H](C)C(=O)[O-] ZINC001595824753 982707306 /nfs/dbraw/zinc/70/73/06/982707306.db2.gz UQVBGKRCNHLERZ-MRVPVSSYSA-N -1 0 337.725 3.684 20 0 EHADRM CCCN(C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1)[C@H](C)C(=O)[O-] ZINC001595828051 982714523 /nfs/dbraw/zinc/71/45/23/982714523.db2.gz YXZMGNOSDXXSLU-GFCCVEGCSA-N -1 0 330.428 3.791 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)COC[C@@H](C)c1ccccc1 ZINC000923093573 982718293 /nfs/dbraw/zinc/71/82/93/982718293.db2.gz CDJVMXNRHHNAEA-LLVKDONJSA-N -1 0 333.409 3.514 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)CCc1ncc(C(C)(C)C)o1 ZINC000923096483 982721187 /nfs/dbraw/zinc/72/11/87/982721187.db2.gz BIADBNCHMQMNIF-UHFFFAOYSA-N -1 0 336.413 3.612 20 0 EHADRM CCCN(C(=O)c1csc(-c2ccc(CC)cc2)n1)[C@H](C)C(=O)[O-] ZINC001595831440 982722555 /nfs/dbraw/zinc/72/25/55/982722555.db2.gz LAZSZVHCKZQFKU-GFCCVEGCSA-N -1 0 346.452 3.698 20 0 EHADRM C[C@H](C(=O)NCCc1ccccc1C(=O)[O-])c1ccc(Cl)s1 ZINC000923122486 982742340 /nfs/dbraw/zinc/74/23/40/982742340.db2.gz NMWTZOXFGPANQH-JTQLQIEISA-N -1 0 337.828 3.562 20 0 EHADRM Cc1cc2scc(CC(=O)N3CC[C@@H](C(=O)[O-])C[C@H]3C)c2s1 ZINC000923153002 982766056 /nfs/dbraw/zinc/76/60/56/982766056.db2.gz NLNQODUEIRKCLZ-MWLCHTKSSA-N -1 0 337.466 3.525 20 0 EHADRM CC[C@H](C)N1C(=O)N[C@@H](c2sccc2Cl)C(C(=O)[O-])=C1C ZINC001594985475 982801311 /nfs/dbraw/zinc/80/13/11/982801311.db2.gz QSNPRWWSAIBMDO-WRWORJQWSA-N -1 0 328.821 3.625 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N[C@@H](CC(=O)[O-])C2CCCC2)cc1 ZINC001594999704 982910236 /nfs/dbraw/zinc/91/02/36/982910236.db2.gz OMHFBCQYGFVXRP-GUYCJALGSA-N -1 0 333.428 3.627 20 0 EHADRM CC[C@@H](C)Oc1cc(NC[C@H](CC2CCCC2)C(=O)[O-])nc(C)n1 ZINC001595000009 982911260 /nfs/dbraw/zinc/91/12/60/982911260.db2.gz RNUCRZSRMLFITR-DOMZBBRYSA-N -1 0 335.448 3.655 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2OC)cc1 ZINC001595000283 982911678 /nfs/dbraw/zinc/91/16/78/982911678.db2.gz UOGHFBDZMGPEPV-GFCCVEGCSA-N -1 0 343.379 3.823 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N2[C@H](C)CC(C(=O)[O-])C[C@H]2C)cc1 ZINC001595000390 982912550 /nfs/dbraw/zinc/91/25/50/982912550.db2.gz VXCZBNYOKAUDKU-MCIONIFRSA-N -1 0 333.428 3.578 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N(C)C2(C(=O)[O-])CCCCC2)cc1 ZINC001595000467 982912673 /nfs/dbraw/zinc/91/26/73/982912673.db2.gz WIFMKENDWJJHBF-AWEZNQCLSA-N -1 0 333.428 3.723 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C\C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001595004139 982916722 /nfs/dbraw/zinc/91/67/22/982916722.db2.gz HJOPTUQHLFPZDV-ASCRHOAZSA-N -1 0 342.395 3.553 20 0 EHADRM COc1c(C)cc(C(=O)N[C@H](CC(=O)[O-])c2ccc(C)cc2)cc1C ZINC001116917715 982937267 /nfs/dbraw/zinc/93/72/67/982937267.db2.gz NQSBYHXUKBMMLJ-QGZVFWFLSA-N -1 0 341.407 3.566 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cnn(C3CCCCC3)c2)c1 ZINC001117948287 982940624 /nfs/dbraw/zinc/94/06/24/982940624.db2.gz QYXRQWBFMNZYLT-ZDUSSCGKSA-N -1 0 341.411 3.829 20 0 EHADRM CC(F)(F)C1(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CC1 ZINC001118540679 982958192 /nfs/dbraw/zinc/95/81/92/982958192.db2.gz AWLWKJKESPAJRZ-UHFFFAOYSA-N -1 0 325.336 3.973 20 0 EHADRM CCCNc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001595936776 983078736 /nfs/dbraw/zinc/07/87/36/983078736.db2.gz ORMDJHYHXNPJFY-VXGBXAGGSA-N -1 0 338.835 3.991 20 0 EHADRM CCCNc1ccc(Cl)cc1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001595936774 983078958 /nfs/dbraw/zinc/07/89/58/983078958.db2.gz ORMDJHYHXNPJFY-NWDGAFQWSA-N -1 0 338.835 3.991 20 0 EHADRM CCCOC(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC001595940187 983091229 /nfs/dbraw/zinc/09/12/29/983091229.db2.gz PVUMKQORSIQHPU-UHFFFAOYSA-N -1 0 330.384 3.592 20 0 EHADRM CCCO[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])cc2CC)CC1 ZINC001595945446 983101998 /nfs/dbraw/zinc/10/19/98/983101998.db2.gz LXFVTHMOPRIZBT-MRXNPFEDSA-N -1 0 348.443 3.760 20 0 EHADRM CCCOc1ccc(NC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)c(C)c1 ZINC001595960370 983150170 /nfs/dbraw/zinc/15/01/70/983150170.db2.gz HQHYJGQKTSYIEQ-UHFFFAOYSA-N -1 0 330.384 3.679 20 0 EHADRM CCCOc1ccc(NC(=O)Nc2nc(CCC(=O)[O-])cs2)cc1 ZINC001595961113 983156724 /nfs/dbraw/zinc/15/67/24/983156724.db2.gz SHCRXOBIJVOTMR-UHFFFAOYSA-N -1 0 349.412 3.593 20 0 EHADRM CCCOc1ccc(NCc2cc(C(=O)[O-])c3n2CCCC3)cc1 ZINC001595966444 983172469 /nfs/dbraw/zinc/17/24/69/983172469.db2.gz KMKPOYQNAWLOTN-UHFFFAOYSA-N -1 0 328.412 3.924 20 0 EHADRM CCCc1c(C(=O)N2CC([C@@H]3CCC[C@H](C)C3)C2)[nH]c(C)c1C(=O)[O-] ZINC001596031396 983303335 /nfs/dbraw/zinc/30/33/35/983303335.db2.gz YCVAIECQJZQGHO-GXTWGEPZSA-N -1 0 346.471 3.872 20 0 EHADRM CCCc1c(C(=O)N[C@H]2C[C@@H]2C2CCCCC2)[nH]c(C)c1C(=O)[O-] ZINC001596036262 983312384 /nfs/dbraw/zinc/31/23/84/983312384.db2.gz HKVZOBLCLGLZHL-CABCVRRESA-N -1 0 332.444 3.672 20 0 EHADRM CCCc1ccc(C(=O)N[C@H](C)[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC001596060647 983369971 /nfs/dbraw/zinc/36/99/71/983369971.db2.gz OEAXPPIQOXOJHE-BEFAXECRSA-N -1 0 339.435 3.701 20 0 EHADRM CCCn1c(C(=O)N[C@H](C(=O)[O-])c2ccccc2)cc2ccccc21 ZINC001596107287 983431724 /nfs/dbraw/zinc/43/17/24/983431724.db2.gz DDBFGPBNOOUFJM-SFHVURJKSA-N -1 0 336.391 3.607 20 0 EHADRM CCCn1c(C)cc(C(=O)COc2cc(C(=O)[O-])ccc2C)c1C ZINC001596108137 983433217 /nfs/dbraw/zinc/43/32/17/983433217.db2.gz PXQZNPRFKYNEDN-UHFFFAOYSA-N -1 0 329.396 3.783 20 0 EHADRM CCCn1cc(NC(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)cn1 ZINC001596116359 983447715 /nfs/dbraw/zinc/44/77/15/983447715.db2.gz DZECCIWDJAMNMA-UHFFFAOYSA-N -1 0 344.396 3.850 20 0 EHADRM CCN(C(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccc(Cl)cc1F ZINC001596137422 983486307 /nfs/dbraw/zinc/48/63/07/983486307.db2.gz KSNYTDVYDYNUDW-VMPITWQZSA-N -1 0 337.734 3.837 20 0 EHADRM CCN(C(=O)Cc1ccc(C(=O)[O-])cc1)c1nc2ccccc2s1 ZINC001596143079 983496166 /nfs/dbraw/zinc/49/61/66/983496166.db2.gz LFFXPTUXMYHNAX-UHFFFAOYSA-N -1 0 340.404 3.590 20 0 EHADRM CCN([C@H](C)c1cccc(OC)c1)[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001596181375 983551374 /nfs/dbraw/zinc/55/13/74/983551374.db2.gz RIEMPAXOUABVMM-NEPJUHHUSA-N -1 0 334.441 3.994 20 0 EHADRM CCN(CC(C)(C)C)S(=O)(=O)c1cccc2c(C(=O)[O-])cccc21 ZINC001596230264 983624922 /nfs/dbraw/zinc/62/49/22/983624922.db2.gz YMFHAAGATFJKBK-UHFFFAOYSA-N -1 0 349.452 3.595 20 0 EHADRM CCN(CCOc1ccc(C(=O)[O-])cc1Cl)[C@H](C)C(F)(F)F ZINC001596345457 983793796 /nfs/dbraw/zinc/79/37/96/983793796.db2.gz KNPKFPQJHFGCAD-SECBINFHSA-N -1 0 339.741 3.690 20 0 EHADRM CCN(Cc1ccccc1Cl)C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001596371687 983872072 /nfs/dbraw/zinc/87/20/72/983872072.db2.gz HFQKDTCWVRAJPM-FPLPWBNLSA-N -1 0 333.771 3.693 20 0 EHADRM CCN(Cc1ccccc1F)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001596371961 983875524 /nfs/dbraw/zinc/87/55/24/983875524.db2.gz XJNLJLJLHYNDOP-UHFFFAOYSA-N -1 0 334.322 3.717 20 0 EHADRM CC(C)(CC(=O)[O-])NC(=O)c1ccc(Oc2ccc(Cl)cn2)cc1 ZINC001588758531 984106716 /nfs/dbraw/zinc/10/67/16/984106716.db2.gz VKISHURGDKYDON-UHFFFAOYSA-N -1 0 348.786 3.510 20 0 EHADRM CCNc1nc(SCc2cc(C(=O)[O-])c(C)o2)nc2ccccc21 ZINC001596505281 984262847 /nfs/dbraw/zinc/26/28/47/984262847.db2.gz PYBIGSBYCBZHRW-UHFFFAOYSA-N -1 0 343.408 3.954 20 0 EHADRM C=Cc1ccccc1NC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC001588921269 984578588 /nfs/dbraw/zinc/57/85/88/984578588.db2.gz DXSHLNVQJMXDFW-KRWDZBQOSA-N -1 0 338.407 3.927 20 0 EHADRM C/C(=C\C(=O)N(CC(=O)[O-])CC(C)C)c1cccc(C(F)(F)F)c1 ZINC001588932487 984608725 /nfs/dbraw/zinc/60/87/25/984608725.db2.gz FNYZQYLVTKOOOU-KPKJPENVSA-N -1 0 343.345 3.678 20 0 EHADRM C/C(=C\C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)c1ccccc1C ZINC001588938486 984622416 /nfs/dbraw/zinc/62/24/16/984622416.db2.gz GCNWNNYHYKYWHF-WMJZSHNHSA-N -1 0 337.419 3.557 20 0 EHADRM C/C(=C/C(=O)NC[C@H](CC1CCCC1)C(=O)[O-])c1ccc(F)cc1 ZINC001588939640 984630832 /nfs/dbraw/zinc/63/08/32/984630832.db2.gz ZKIDAFUFAHVFHK-DDKJEQMHSA-N -1 0 333.403 3.626 20 0 EHADRM C/C(=C\C(=O)Nc1ccc(OCCC(=O)[O-])cc1)c1ccccc1C ZINC001588944200 984645872 /nfs/dbraw/zinc/64/58/72/984645872.db2.gz RRRFMJMMVAKJQS-FYWRMAATSA-N -1 0 339.391 3.891 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cc2cc(F)ccc2o1 ZINC001599888874 984670552 /nfs/dbraw/zinc/67/05/52/984670552.db2.gz YVBIVSFESRHOIJ-GFCCVEGCSA-N -1 0 341.338 3.687 20 0 EHADRM C[C@H](CC(F)(F)F)C(=O)Oc1cccc2c(CC(=O)[O-])cccc12 ZINC001599890000 984683072 /nfs/dbraw/zinc/68/30/72/984683072.db2.gz HBLTUWWWZLTDGC-SNVBAGLBSA-N -1 0 340.297 3.961 20 0 EHADRM C/C(=C\C(=O)[O-])CSc1nnc(Nc2cccc(F)c2)s1 ZINC001588952135 984684242 /nfs/dbraw/zinc/68/42/42/984684242.db2.gz LINRRRQNEVQTSX-VMPITWQZSA-N -1 0 325.390 3.544 20 0 EHADRM C/C(=C/C(C)(C)C)C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001588953190 984692898 /nfs/dbraw/zinc/69/28/98/984692898.db2.gz KMWIRDXEYBHWJX-HTYCJKLOSA-N -1 0 349.858 3.959 20 0 EHADRM C[C@H](NC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21)C1CCCC1 ZINC001599894104 984731658 /nfs/dbraw/zinc/73/16/58/984731658.db2.gz NXROMBYUEZSVOV-GUYCJALGSA-N -1 0 344.455 3.683 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001588995589 984925610 /nfs/dbraw/zinc/92/56/10/984925610.db2.gz NDHPXGMXJQNESY-JWIKTPOESA-N -1 0 349.430 3.653 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001588995910 984930468 /nfs/dbraw/zinc/93/04/68/984930468.db2.gz WHSWRYWXELMXLE-RMHQSFGDSA-N -1 0 341.382 3.522 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)c2cccc(-c3cscn3)c2)(C(=O)[O-])CC1 ZINC001599907666 984943981 /nfs/dbraw/zinc/94/39/81/984943981.db2.gz KXWZXNNGSCJVHV-KSMLVUNXSA-N -1 0 344.436 3.573 20 0 EHADRM C/C(=C/c1cccc(Cl)c1)C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001589001831 984945351 /nfs/dbraw/zinc/94/53/51/984945351.db2.gz LTRXRGXBZBRVEL-AWKHQRFVSA-N -1 0 333.815 3.599 20 0 EHADRM C/C(=C\c1ccccc1Cl)C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC001589003590 984954483 /nfs/dbraw/zinc/95/44/83/984954483.db2.gz FHVADGKXYKCRQE-ACCUITESSA-N -1 0 335.831 3.989 20 0 EHADRM C/C(=C/c1ccccc1Cl)C(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC001589004116 984960687 /nfs/dbraw/zinc/96/06/87/984960687.db2.gz XXQFFUOFCKFRTQ-SEYXRHQNSA-N -1 0 335.831 3.989 20 0 EHADRM CCOC(=O)c1ccc(S[C@H](CC(C)(C)C)C(=O)[O-])c(F)c1 ZINC001596728060 984985436 /nfs/dbraw/zinc/98/54/36/984985436.db2.gz AOICFOYMEUPNGF-CYBMUJFWSA-N -1 0 328.405 3.984 20 0 EHADRM C[C@H]1CN(C(=O)N[C@H](CC(C)(C)C)c2ccccc2)CC[C@H]1C(=O)[O-] ZINC001599917155 985074178 /nfs/dbraw/zinc/07/41/78/985074178.db2.gz GIBYJVNNCLBGOX-USXIJHARSA-N -1 0 346.471 3.916 20 0 EHADRM CO[C@@H](C)c1nc(=NC(=O)[C@H](C)c2cccc(CC(C)C)c2)s[n-]1 ZINC000510103555 1015104524 /nfs/dbraw/zinc/10/45/24/1015104524.db2.gz RAXIPOVCNGFRKI-OLZOCXBDSA-N -1 0 347.484 3.608 20 0 EHADRM CCOC(=O)c1sc(S[C@@H](C(=O)[O-])c2ccsc2)nc1C ZINC001596761600 985155444 /nfs/dbraw/zinc/15/54/44/985155444.db2.gz YZWKLAZFAGUTFU-SNVBAGLBSA-N -1 0 343.451 3.608 20 0 EHADRM CCO[C@@H](C(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21)C1CCCC1 ZINC001596766234 985169953 /nfs/dbraw/zinc/16/99/53/985169953.db2.gz NCADORQSFCATIO-QZTJIDSGSA-N -1 0 346.423 3.901 20 0 EHADRM CCO[C@H](CC(=O)N(c1ccccc1C(=O)[O-])C1CCC1)C(C)C ZINC001596774358 985200909 /nfs/dbraw/zinc/20/09/09/985200909.db2.gz FDZJMSGHEDKIDG-QGZVFWFLSA-N -1 0 333.428 3.722 20 0 EHADRM CCO[C@@H](C)c1ncc(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)s1 ZINC001596775239 985205280 /nfs/dbraw/zinc/20/52/80/985205280.db2.gz BAEHXHZKKYNXLC-MNOVXSKESA-N -1 0 348.424 3.681 20 0 EHADRM O=S(=O)(Cc1ccccc1)[N-]c1nc(-c2ccc(F)cc2)cs1 ZINC000153444928 1125492613 /nfs/dbraw/zinc/49/26/13/1125492613.db2.gz CIMKUHNGXHDSEA-UHFFFAOYSA-N -1 0 348.424 3.891 20 0 EHADRM C[C@H]1Cc2ccccc2N(C(=O)Cc2ccc(Cl)s2)[C@H]1C(=O)[O-] ZINC001599937149 985409111 /nfs/dbraw/zinc/40/91/11/985409111.db2.gz JLACVWANIMJLGY-MGPLVRAMSA-N -1 0 349.839 3.623 20 0 EHADRM C[C@]1(C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)C[C@@H]1c1ccccc1 ZINC001599938040 985420037 /nfs/dbraw/zinc/42/00/37/985420037.db2.gz WVGFBZKUODDYHB-UZLBHIALSA-N -1 0 334.375 3.998 20 0 EHADRM C[Si](C)(C)CCCC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC001599939522 985436915 /nfs/dbraw/zinc/43/69/15/985436915.db2.gz HLQJECHDXYIJLJ-UHFFFAOYSA-N -1 0 343.883 3.860 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)Cc2ccccc21 ZINC001594481286 985526385 /nfs/dbraw/zinc/52/63/85/985526385.db2.gz VCELURDAWNHTOK-CQSZACIVSA-N -1 0 338.407 3.855 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@H](C)c1ccc(Cl)c(F)c1 ZINC001599956142 985692156 /nfs/dbraw/zinc/69/21/56/985692156.db2.gz WXDVJSXASGVJBS-MRVPVSSYSA-N -1 0 338.766 3.613 20 0 EHADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1C[C@H](C(C)(C)C)c2ccccc21 ZINC001599959475 985754461 /nfs/dbraw/zinc/75/44/61/985754461.db2.gz OEZKFGDMSHSQRM-HNNXBMFYSA-N -1 0 340.423 3.854 20 0 EHADRM CC(=O)c1c(C)cc(OCCOc2ccccc2C(=O)[O-])cc1C ZINC001589254435 985883925 /nfs/dbraw/zinc/88/39/25/985883925.db2.gz JPYOGGIQSFHADH-UHFFFAOYSA-N -1 0 328.364 3.662 20 0 EHADRM Cc1[nH]c2c(cccc2C(=O)NCCCCC2(C(=O)[O-])CCC2)c1C ZINC001599965051 985887624 /nfs/dbraw/zinc/88/76/24/985887624.db2.gz LVIFIQLOAAYMJQ-UHFFFAOYSA-N -1 0 342.439 3.940 20 0 EHADRM Cc1[nH]c2ccc(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])cc2c1C ZINC001599965203 985890366 /nfs/dbraw/zinc/89/03/66/985890366.db2.gz PHUDQRWFCFQQEY-UHFFFAOYSA-N -1 0 344.455 3.994 20 0 EHADRM CCOCCCCCC(=O)N1CCCc2c(C(=O)[O-])ccc(C)c21 ZINC001596907615 985892199 /nfs/dbraw/zinc/89/21/99/985892199.db2.gz PTNUSZPCVOMWRO-UHFFFAOYSA-N -1 0 333.428 3.569 20 0 EHADRM CC(=O)c1cc(NC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)ccc1C ZINC001589271159 985969705 /nfs/dbraw/zinc/96/97/05/985969705.db2.gz PUAIPFJZWLQRPX-AWEZNQCLSA-N -1 0 346.427 3.552 20 0 EHADRM CC(=O)c1ccc(C(=O)N(CCC(=O)[O-])c2ccccc2C)cc1C ZINC001589273440 985974723 /nfs/dbraw/zinc/97/47/23/985974723.db2.gz HLCBPSVCXWMDMH-UHFFFAOYSA-N -1 0 339.391 3.628 20 0 EHADRM CC(=O)c1ccc(OCc2ccc(C(=O)[O-])c3cccnc23)c(F)c1 ZINC001589297250 986039014 /nfs/dbraw/zinc/03/90/14/986039014.db2.gz GDRNAPGPDQCBKF-UHFFFAOYSA-N -1 0 339.322 3.854 20 0 EHADRM CC(C)c1[nH]c(CN2C[C@@H](C)OC[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC001594536100 986150639 /nfs/dbraw/zinc/15/06/39/986150639.db2.gz PDEWKJZCOARQMD-RDTXWAMCSA-N -1 0 342.439 3.798 20 0 EHADRM Cc1c(Br)scc1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001599982797 986187544 /nfs/dbraw/zinc/18/75/44/986187544.db2.gz COCZNSGZVYWTAX-UHFFFAOYSA-N -1 0 346.227 3.831 20 0 EHADRM CCON(Cc1ccccc1)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC001596969212 986189784 /nfs/dbraw/zinc/18/97/84/986189784.db2.gz WVEWCFRRJYKDCX-CQSZACIVSA-N -1 0 342.395 3.860 20 0 EHADRM CCO[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001596974389 986202197 /nfs/dbraw/zinc/20/21/97/986202197.db2.gz PRDCJEVYVJKQRX-ZIAGYGMSSA-N -1 0 340.807 3.507 20 0 EHADRM C[C@@H](C(=O)N([C@H](C)C(=O)[O-])C1CCC1)c1ccc(C(F)(F)F)cc1 ZINC001589341620 986254328 /nfs/dbraw/zinc/25/43/28/986254328.db2.gz JEDXILMEXAOZLY-GHMZBOCLSA-N -1 0 343.345 3.663 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)OC1CCCCCC1 ZINC001597009342 986343663 /nfs/dbraw/zinc/34/36/63/986343663.db2.gz NGDXDNKHCCYNIN-CYBMUJFWSA-N -1 0 349.427 3.850 20 0 EHADRM Cc1ccc(-c2nc(C[N@H+]3C[C@H](C(=O)[O-])CC[C@@H]3C)cs2)cc1 ZINC000263521901 1125495897 /nfs/dbraw/zinc/49/58/97/1125495897.db2.gz RIMQPPSANQHSJR-DZGCQCFKSA-N -1 0 330.453 3.804 20 0 EHADRM C[C@@H](C(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001589359014 986352228 /nfs/dbraw/zinc/35/22/28/986352228.db2.gz JRVGZXCGNZMRBP-RDGWCUKFSA-N -1 0 342.222 3.563 20 0 EHADRM C[C@@H](C(=O)N1CCc2cc(C(=O)[O-])ccc2C1)c1cc2ccccc2o1 ZINC001589364557 986385804 /nfs/dbraw/zinc/38/58/04/986385804.db2.gz IYBULHMQRKLEHR-CYBMUJFWSA-N -1 0 349.386 3.819 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NC1C[C@@H](C)C[C@H](C)C1 ZINC001597019862 986396090 /nfs/dbraw/zinc/39/60/90/986396090.db2.gz AKNPPJNFVKPAFW-RYUDHWBXSA-N -1 0 334.416 3.730 20 0 EHADRM C[C@H](C(=O)N[C@@H](C(=O)[O-])C1CCCCC1)c1cc2ccccc2o1 ZINC001589373718 986423842 /nfs/dbraw/zinc/42/38/42/986423842.db2.gz FMSOYWUKRMVHSN-YVEFUNNKSA-N -1 0 329.396 3.686 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1ccc2ccccc2n1 ZINC001597024555 986429203 /nfs/dbraw/zinc/42/92/03/986429203.db2.gz AADMVHDQWZPHAE-UHFFFAOYSA-N -1 0 336.347 3.584 20 0 EHADRM C[C@H](C(=O)N[C@H](CC1CCCCC1)C(=O)[O-])c1cccc(Cl)c1 ZINC001589385199 986473175 /nfs/dbraw/zinc/47/31/75/986473175.db2.gz CPLDNRXLPIHHLP-BLLLJJGKSA-N -1 0 337.847 3.983 20 0 EHADRM CCOc1cc(F)cc(CNc2cc(COC)cc(C(=O)[O-])c2)c1 ZINC001597036266 986475840 /nfs/dbraw/zinc/47/58/40/986475840.db2.gz BHPUHQVTBHNOKH-UHFFFAOYSA-N -1 0 333.359 3.681 20 0 EHADRM CCOc1cc(Cl)ccc1NC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001597036507 986477845 /nfs/dbraw/zinc/47/78/45/986477845.db2.gz HJRULEVDKULVGQ-GQCTYLIASA-N -1 0 335.743 3.682 20 0 EHADRM CCOc1cc(Cl)ccc1NC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC001597037145 986481962 /nfs/dbraw/zinc/48/19/62/986481962.db2.gz XSHIKTGBPWKTTE-UHFFFAOYSA-N -1 0 337.803 3.712 20 0 EHADRM CCOc1ccc([C@H](C)NC(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC001597074986 986604363 /nfs/dbraw/zinc/60/43/63/986604363.db2.gz XMRWDZLHUCSESZ-NSHDSACASA-N -1 0 346.358 3.805 20 0 EHADRM C[C@H]1CSc2ccc(Cl)cc2N(C(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC001594612513 986610056 /nfs/dbraw/zinc/61/00/56/986610056.db2.gz QLQQSMFZHABYEJ-MXWKQRLJSA-N -1 0 339.844 3.526 20 0 EHADRM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1)c1ccc(Cl)cc1 ZINC001589423883 986684039 /nfs/dbraw/zinc/68/40/39/986684039.db2.gz NGJMHPDXXRDSAB-CXAGYDPISA-N -1 0 345.826 3.646 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000263535481 1125496923 /nfs/dbraw/zinc/49/69/23/1125496923.db2.gz YYYAZHPKYCFAJN-GOEBONIOSA-N -1 0 339.391 3.804 20 0 EHADRM C[C@H](C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1)[C@H](C)C(C)(C)C ZINC001589445193 986808018 /nfs/dbraw/zinc/80/80/18/986808018.db2.gz WDDHLWQQIFEYBX-UWVGGRQHSA-N -1 0 326.462 3.762 20 0 EHADRM CCOc1ccc([C@H](C)OC(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC001597142737 986890721 /nfs/dbraw/zinc/89/07/21/986890721.db2.gz ITLCPJRWUGKAQV-NSHDSACASA-N -1 0 332.327 3.841 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)[C@@H](F)CC1CCCCC1)c1ccccc1 ZINC001589455303 986893858 /nfs/dbraw/zinc/89/38/58/986893858.db2.gz XQLYGRFLZXMOCH-RRQGHBQHSA-N -1 0 335.419 3.873 20 0 EHADRM CCOc1cccc(C(=O)Nc2ccc(OCC)c(F)c2C(=O)[O-])c1 ZINC001597145890 986908410 /nfs/dbraw/zinc/90/84/10/986908410.db2.gz NQAVVMZDMMOTOQ-UHFFFAOYSA-N -1 0 347.342 3.574 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1ccc2c(c1)CCC=C2)c1ccccc1 ZINC001589461490 986911111 /nfs/dbraw/zinc/91/11/11/986911111.db2.gz FCNALVBWHJQULR-KUHUBIRLSA-N -1 0 335.403 3.838 20 0 EHADRM CCOc1cccc(/C=C/C(=O)N[C@]2(C(=O)[O-])CCCC(C)(C)C2)c1 ZINC001597149383 986918415 /nfs/dbraw/zinc/91/84/15/986918415.db2.gz JLHHPIBHNJHGOL-SQUSKLHYSA-N -1 0 345.439 3.638 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cc2ccccc2cc1O)c1ccccc1 ZINC001589462803 986921020 /nfs/dbraw/zinc/92/10/20/986921020.db2.gz UXTZCGSSZIHUTI-BFUOFWGJSA-N -1 0 349.386 3.737 20 0 EHADRM CCOc1cccc(CNc2ncc(C(=O)[O-])cc2C(F)(F)F)c1 ZINC001597155933 986956214 /nfs/dbraw/zinc/95/62/14/986956214.db2.gz WLECUJKXDMFGSS-UHFFFAOYSA-N -1 0 340.301 3.809 20 0 EHADRM C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1c1cncc(C(=O)[O-])n1 ZINC001594665154 986956286 /nfs/dbraw/zinc/95/62/86/986956286.db2.gz AHRICZNXMQWUHI-MRVPVSSYSA-N -1 0 338.194 3.605 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)C[C@@H](c1ccccc1)C(F)(F)F)C1CCC1 ZINC001589470998 986959001 /nfs/dbraw/zinc/95/90/01/986959001.db2.gz FMBGVWBYLSCXSE-FZMZJTMJSA-N -1 0 343.345 3.577 20 0 EHADRM CCOc1cccc2[nH]cc(CC(=O)O[C@H](CC(C)(C)C)C(=O)[O-])c21 ZINC001597164715 986979638 /nfs/dbraw/zinc/97/96/38/986979638.db2.gz DEISHVKEEYUMMO-OAHLLOKOSA-N -1 0 347.411 3.542 20 0 EHADRM C/C=C\C[C@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC001594686086 987060529 /nfs/dbraw/zinc/06/05/29/987060529.db2.gz MRZNZPLEPROYMJ-QUCGXOGASA-N -1 0 338.354 3.873 20 0 EHADRM C/C=C\COc1cccc(CC(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC001594689686 987077278 /nfs/dbraw/zinc/07/72/78/987077278.db2.gz VCJKKUIEQUBOLM-IHWYPQMZSA-N -1 0 325.364 3.521 20 0 EHADRM CC/C(=C\C(=O)NC(C)(C)c1cc(C(=O)[O-])on1)c1ccc(C)cc1 ZINC001594690608 987081150 /nfs/dbraw/zinc/08/11/50/987081150.db2.gz DWMLGRYGNVJFKB-JLHYYAGUSA-N -1 0 342.395 3.526 20 0 EHADRM CC/C(=C/C(=O)NCCc1ccccc1C(=O)[O-])c1ccc(C)cc1 ZINC001594691374 987090993 /nfs/dbraw/zinc/09/09/93/987090993.db2.gz RYYUUTWJEPQVEV-PEZBUJJGSA-N -1 0 337.419 3.846 20 0 EHADRM CC/C(=C/C(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccc(OC)cc1 ZINC001594694103 987105889 /nfs/dbraw/zinc/10/58/89/987105889.db2.gz MFGQLCQMGAIRJN-QXMHVHEDSA-N -1 0 343.354 3.965 20 0 EHADRM CC/C(=C/C(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccc(OC)cc1 ZINC001594694131 987106060 /nfs/dbraw/zinc/10/60/60/987106060.db2.gz ODOMJUMBHOSAPB-SQFISAMPSA-N -1 0 339.391 3.754 20 0 EHADRM CCC(=O)N1CCc2ccc(N[C@@H](C)CC(C)(C)CC(=O)[O-])cc21 ZINC001594706038 987152132 /nfs/dbraw/zinc/15/21/32/987152132.db2.gz SQHQLPCSDLHHBW-ZDUSSCGKSA-N -1 0 332.444 3.677 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NCC(C)(C)C(C)(F)F)cc1 ZINC001589513548 987159782 /nfs/dbraw/zinc/15/97/82/987159782.db2.gz WFRFIKSNSFEXNM-JTQLQIEISA-N -1 0 328.359 3.678 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2ncc(C(F)(F)F)s2)cc1 ZINC001589521666 987168731 /nfs/dbraw/zinc/16/87/31/987168731.db2.gz RQSBZSXOYQTTCJ-SSDOTTSWSA-N -1 0 344.314 3.602 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cc3ccccc3cc2O)cc1 ZINC001589521910 987171576 /nfs/dbraw/zinc/17/15/76/987171576.db2.gz XASHRDUSVHAWDD-GFCCVEGCSA-N -1 0 335.359 3.986 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001589531552 987204324 /nfs/dbraw/zinc/20/43/24/987204324.db2.gz HBWSDWKHOKYEOV-IOASZLSFSA-N -1 0 348.443 3.590 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2ccc(-c3ccccn3)nc2)c1 ZINC001589532411 987214038 /nfs/dbraw/zinc/21/40/38/987214038.db2.gz QKFPGHIFQDCVIP-CYBMUJFWSA-N -1 0 347.374 3.584 20 0 EHADRM CC[C@@H](C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21)C1CCC(C)CC1 ZINC001594729648 987244462 /nfs/dbraw/zinc/24/44/62/987244462.db2.gz JRWOEHQSDPNSDY-HNFMNYKYSA-N -1 0 345.439 3.718 20 0 EHADRM C[C@H](C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1Cl)C(C)(F)F ZINC001589540933 987250142 /nfs/dbraw/zinc/25/01/42/987250142.db2.gz UUJAFJMBVMKDLN-LDWIPMOCSA-N -1 0 341.137 3.954 20 0 EHADRM C[C@H](C(=O)O[C@H](Cc1ccc(Cl)cc1)C(=O)[O-])c1ccsc1 ZINC001589541152 987252967 /nfs/dbraw/zinc/25/29/67/987252967.db2.gz ZVJGZJSDDKYUSG-IINYFYTJSA-N -1 0 338.812 3.744 20 0 EHADRM CCS[C@H]1CCC[C@H](NC(=O)Nc2ccc(C(=O)[O-])s2)C1 ZINC001597256283 987257864 /nfs/dbraw/zinc/25/78/64/987257864.db2.gz JRIXTGLHAIIIDL-UWVGGRQHSA-N -1 0 328.459 3.632 20 0 EHADRM CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2cc(C(=O)[O-])sc2C)C1 ZINC001597257495 987263015 /nfs/dbraw/zinc/26/30/15/987263015.db2.gz ZCACWGTWDTXKLO-WDEREUQCSA-N -1 0 342.486 3.893 20 0 EHADRM CCSCC[C@@H](C)N(C)C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001597259331 987280332 /nfs/dbraw/zinc/28/03/32/987280332.db2.gz QQCVVTLSTWEELN-LLVKDONJSA-N -1 0 349.456 3.862 20 0 EHADRM CCSCc1ccc(NC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)cc1 ZINC001597265056 987293681 /nfs/dbraw/zinc/29/36/81/987293681.db2.gz FKKSSYZATCVSPY-UHFFFAOYSA-N -1 0 332.425 3.835 20 0 EHADRM CCSc1cccc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC001597272658 987322350 /nfs/dbraw/zinc/32/23/50/987322350.db2.gz HICGIKBAJRHRDQ-UHFFFAOYSA-N -1 0 329.421 3.769 20 0 EHADRM CCSc1cccc(CN2C[C@@H](C(=O)[O-])Oc3cc(F)ccc32)c1 ZINC001597273371 987327887 /nfs/dbraw/zinc/32/78/87/987327887.db2.gz SRQQTQCSHHKCTC-KRWDZBQOSA-N -1 0 347.411 3.790 20 0 EHADRM CCSc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2N(C)C)c1 ZINC001597273439 987328940 /nfs/dbraw/zinc/32/89/40/987328940.db2.gz VISFKXDWNPUZOG-UHFFFAOYSA-N -1 0 344.436 3.815 20 0 EHADRM CCSc1ccc(CNC(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC001597273496 987329937 /nfs/dbraw/zinc/32/99/37/987329937.db2.gz YCLURQFQESAOMR-UHFFFAOYSA-N -1 0 336.438 3.880 20 0 EHADRM CCSc1cccc(F)c1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001597277678 987336925 /nfs/dbraw/zinc/33/69/25/987336925.db2.gz XESLBRMAFSCDRY-WDEREUQCSA-N -1 0 325.405 3.767 20 0 EHADRM CC(C)(C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21)C1CCC1 ZINC001589569963 987337540 /nfs/dbraw/zinc/33/75/40/987337540.db2.gz BJWZFACKHXLTKA-HNNXBMFYSA-N -1 0 329.440 3.747 20 0 EHADRM CCSc1ccccc1CC(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC001597279906 987346321 /nfs/dbraw/zinc/34/63/21/987346321.db2.gz SWILSHXHWLIEIB-UHFFFAOYSA-N -1 0 348.395 3.713 20 0 EHADRM CCSc1ccccc1C(=O)N1C[C@@H](C(=O)[O-])Cc2ccccc21 ZINC001597280048 987348661 /nfs/dbraw/zinc/34/86/61/987348661.db2.gz VYCZFSIREBELLD-AWEZNQCLSA-N -1 0 341.432 3.702 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)N1CC[C@@H]1C1CCCC1)c1ccccc1 ZINC001589592815 987404289 /nfs/dbraw/zinc/40/42/89/987404289.db2.gz CLCXRODZHCCOJN-SJORKVTESA-N -1 0 344.455 3.813 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1cnc2ccccc2c1)c1ccccc1 ZINC001589602060 987431127 /nfs/dbraw/zinc/43/11/27/987431127.db2.gz VFAJHNHVPUUAJI-SFHVURJKSA-N -1 0 348.402 3.817 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)CCC[C@H](C)c1cccc(OC)c1)C(=O)[O-] ZINC001597315308 987438912 /nfs/dbraw/zinc/43/89/12/987438912.db2.gz AERGIRJRVWIGTD-DEYYWGMASA-N -1 0 335.444 3.585 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2ccc(F)c(C(F)F)c2)C1 ZINC001589612054 987471376 /nfs/dbraw/zinc/47/13/76/987471376.db2.gz OZPZFJKTKWDSSK-NSHDSACASA-N -1 0 343.345 3.726 20 0 EHADRM CC[C@H](N[C@@H]1CCC[C@H](CCCC(=O)[O-])C1)C(=O)OC(C)(C)C ZINC001597349277 987483470 /nfs/dbraw/zinc/48/34/70/987483470.db2.gz CBNRHZMXKHPHEV-KFWWJZLASA-N -1 0 327.465 3.510 20 0 EHADRM CC[C@H](NCc1nc2cc(C(=O)[O-])ccc2[nH]1)c1ccccc1F ZINC001597349531 987486039 /nfs/dbraw/zinc/48/60/39/987486039.db2.gz NJDCOSNAEXLZCA-AWEZNQCLSA-N -1 0 327.359 3.641 20 0 EHADRM CC(C)(C(=O)[O-])N(Cc1ccccc1)C(=O)/C=C\c1ccccc1F ZINC001589617275 987491252 /nfs/dbraw/zinc/49/12/52/987491252.db2.gz YRIWSBQYDMGHHD-SEYXRHQNSA-N -1 0 341.382 3.731 20 0 EHADRM CCc1[nH]c(C(=O)N[C@@]2(C)CCCc3ccccc32)c(C)c1C(=O)[O-] ZINC001597363031 987528099 /nfs/dbraw/zinc/52/80/99/987528099.db2.gz BFOYVFREGRIVCK-FQEVSTJZSA-N -1 0 340.423 3.565 20 0 EHADRM CCc1[nH]c(C(=O)Nc2ccc(-c3ccccn3)cc2)c(C)c1C(=O)[O-] ZINC001597373738 987559491 /nfs/dbraw/zinc/55/94/91/987559491.db2.gz ZQUIHAQODVMGHR-UHFFFAOYSA-N -1 0 349.390 3.898 20 0 EHADRM CCc1cc(C(=O)N2CC(C)(C(=O)[O-])C2)sc1-c1ccccc1 ZINC001597427076 987754080 /nfs/dbraw/zinc/75/40/80/987754080.db2.gz PFKXNRRMMXJBQH-UHFFFAOYSA-N -1 0 329.421 3.524 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)C1(Cc2ccc(Cl)cc2)CC1 ZINC001589701356 987796340 /nfs/dbraw/zinc/79/63/40/987796340.db2.gz YHEVZGLADUDZKD-CQSZACIVSA-N -1 0 337.847 3.668 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)[C@@H]2C[C@]2(F)c2ccccc2)s1 ZINC001597440354 987798439 /nfs/dbraw/zinc/79/84/39/987798439.db2.gz DEEBBNRIWSFAIH-GUYCJALGSA-N -1 0 333.384 3.832 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)Cc2ccc(OC)cc2C)s1 ZINC001597440522 987799294 /nfs/dbraw/zinc/79/92/94/987799294.db2.gz FNUBWOKDUWGWAG-UHFFFAOYSA-N -1 0 333.409 3.507 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)Nc1ccc(Cl)c2ncccc12 ZINC001589702627 987802056 /nfs/dbraw/zinc/80/20/56/987802056.db2.gz NFLFQOREGNZWQN-ZDUSSCGKSA-N -1 0 349.818 3.899 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2cc3ccccc3n2C)s1 ZINC001597443593 987809589 /nfs/dbraw/zinc/80/95/89/987809589.db2.gz NZBCSVWUPCSEET-UHFFFAOYSA-N -1 0 328.393 3.753 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)N2CCc3c(F)cccc3C2)s1 ZINC001597443676 987810720 /nfs/dbraw/zinc/81/07/20/987810720.db2.gz RREIUVMJMGNGSU-UHFFFAOYSA-N -1 0 348.399 3.738 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)/C(=C/c1ccccc1)OC ZINC001597444872 987814922 /nfs/dbraw/zinc/81/49/22/987814922.db2.gz CZAKNCKCONYMCS-BOPFTXTBSA-N -1 0 325.364 3.573 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)CCOc1cccc(C)c1 ZINC001597451749 987842458 /nfs/dbraw/zinc/84/24/58/987842458.db2.gz GMFPBNYPJBYYPU-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCC(CC)(CC)SC ZINC001597458463 987882505 /nfs/dbraw/zinc/88/25/05/987882505.db2.gz SWPJVHMDALQJFY-UHFFFAOYSA-N -1 0 338.473 3.991 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCCO[C@H]1CCCC[C@@H]1C ZINC001597459349 987885333 /nfs/dbraw/zinc/88/53/33/987885333.db2.gz GLNLUZPWOKGGGW-GUYCJALGSA-N -1 0 348.443 3.664 20 0 EHADRM CC(C)(C)[C@H]1CCN1C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001589732810 987968768 /nfs/dbraw/zinc/96/87/68/987968768.db2.gz YDPADEJZFFSSHE-LLVKDONJSA-N -1 0 328.771 3.830 20 0 EHADRM CCc1ccc(C(=O)N(CC)c2ncc(C(=O)[O-])s2)cc1CC ZINC001597498642 988046372 /nfs/dbraw/zinc/04/63/72/988046372.db2.gz KOBHMJRAPKSOCC-UHFFFAOYSA-N -1 0 332.425 3.633 20 0 EHADRM CCc1ccc(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)cc1CC ZINC001597498864 988048868 /nfs/dbraw/zinc/04/88/68/988048868.db2.gz QCNXLJDLAUSSGQ-SFHVURJKSA-N -1 0 325.408 3.709 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)[C@H]1SCCc2sccc21)C(=O)[O-] ZINC001589760139 988082454 /nfs/dbraw/zinc/08/24/54/988082454.db2.gz OXDVBLJFISZZSE-PWSUYJOCSA-N -1 0 328.455 3.511 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N[C@](CC)(C(=O)[O-])c2ccccc2)cc1 ZINC001597512210 988096892 /nfs/dbraw/zinc/09/68/92/988096892.db2.gz SLGBDOBSYUNAMJ-VFNWGFHPSA-N -1 0 339.435 3.859 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)Nc2nc(CCC(=O)[O-])cs2)cc1 ZINC001597512413 988098443 /nfs/dbraw/zinc/09/84/43/988098443.db2.gz YQWMBPQEKXLGGV-LBPRGKRZSA-N -1 0 346.452 3.855 20 0 EHADRM CC(C)(C)CCOc1cnccc1CNc1cccc(C(=O)[O-])n1 ZINC001589780126 988148298 /nfs/dbraw/zinc/14/82/98/988148298.db2.gz MIEAVRPGOYFXCH-UHFFFAOYSA-N -1 0 329.400 3.602 20 0 EHADRM CCc1ccc(CC(=O)Nc2cccc(SCCC(=O)[O-])c2)cc1 ZINC001597521532 988156028 /nfs/dbraw/zinc/15/60/28/988156028.db2.gz RWLAVHJWHQHAII-UHFFFAOYSA-N -1 0 343.448 3.997 20 0 EHADRM CCc1ccc(CC)c(NC(=O)NCc2cc(C(=O)[O-])c(C)o2)c1 ZINC001597523346 988159487 /nfs/dbraw/zinc/15/94/87/988159487.db2.gz MUPVHAQHJTYDOO-UHFFFAOYSA-N -1 0 330.384 3.733 20 0 EHADRM CC(C)(C)N(Cc1ccc(F)cc1)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001589796922 988199297 /nfs/dbraw/zinc/19/92/97/988199297.db2.gz ZOCUMZWJXAAFSN-SHTZXODSSA-N -1 0 335.419 3.844 20 0 EHADRM CS[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(C(=O)[O-])sc1C ZINC001599803668 988219702 /nfs/dbraw/zinc/21/97/02/988219702.db2.gz RKAWEQVNXDZCFZ-MWLCHTKSSA-N -1 0 328.459 3.550 20 0 EHADRM CCc1ccc(NC(=O)C[C@@H](C)c2c(C)noc2C)c(C(=O)[O-])c1 ZINC001597542584 988230838 /nfs/dbraw/zinc/23/08/38/988230838.db2.gz DKQNWIVMHUSGJB-SNVBAGLBSA-N -1 0 330.384 3.684 20 0 EHADRM CCc1ccc(NC(=O)[C@H](C)OCc2ccc(F)cc2)c(C(=O)[O-])c1 ZINC001597542629 988232009 /nfs/dbraw/zinc/23/20/09/988232009.db2.gz FFCBPKKWGCTKBV-LBPRGKRZSA-N -1 0 345.370 3.630 20 0 EHADRM CCc1ccc(NC(=O)N(C)[C@@H](C)c2cccc(O)c2)c(C(=O)[O-])c1 ZINC001597544648 988243781 /nfs/dbraw/zinc/24/37/81/988243781.db2.gz IIQNSXKIXFJHTJ-LBPRGKRZSA-N -1 0 342.395 3.878 20 0 EHADRM CC(C)(C)N1CC[C@@H](SCc2cc(C(=O)[O-])ccc2Cl)C1=O ZINC001589815479 988252506 /nfs/dbraw/zinc/25/25/06/988252506.db2.gz OFBPAZBJNXYOSN-CYBMUJFWSA-N -1 0 341.860 3.671 20 0 EHADRM CCc1ccc(NC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])nc1 ZINC001597546935 988254755 /nfs/dbraw/zinc/25/47/55/988254755.db2.gz MSAVTEYUQZAODD-MRXNPFEDSA-N -1 0 341.411 3.618 20 0 EHADRM CSc1c(F)cccc1C(=O)N1c2cccc(C)c2C[C@H]1C(=O)[O-] ZINC001599806000 988257388 /nfs/dbraw/zinc/25/73/88/988257388.db2.gz GWNIMDLFHXJWAI-HNNXBMFYSA-N -1 0 345.395 3.512 20 0 EHADRM CCc1ccc(NC(=O)NC[C@](CC)(C(=O)[O-])c2ccccc2)cc1 ZINC001597547308 988257759 /nfs/dbraw/zinc/25/77/59/988257759.db2.gz XPNAOIGFTZBKFN-FQEVSTJZSA-N -1 0 340.423 3.803 20 0 EHADRM CSc1c(F)cc(NC(=O)c2cc(F)cc(C(=O)[O-])c2)cc1F ZINC001599806306 988261669 /nfs/dbraw/zinc/26/16/69/988261669.db2.gz RHAITDACEQRBBQ-UHFFFAOYSA-N -1 0 341.310 3.776 20 0 EHADRM CSc1cc(C(=O)N[C@H](C(=O)[O-])c2cccc3ccccc32)co1 ZINC001599806538 988265717 /nfs/dbraw/zinc/26/57/17/988265717.db2.gz ISGIHTKGLKMTFP-INIZCTEOSA-N -1 0 341.388 3.710 20 0 EHADRM CCc1ccc(NC(=O)c2cc(C)n([C@H](C)CC)n2)c(C(=O)[O-])c1 ZINC001597551161 988272765 /nfs/dbraw/zinc/27/27/65/988272765.db2.gz VMOAFSGAIFHSLY-LLVKDONJSA-N -1 0 329.400 3.675 20 0 EHADRM CCc1ccc(OC(=O)CCc2ocnc2C(=O)[O-])c(C(C)(C)C)c1 ZINC001597556262 988287215 /nfs/dbraw/zinc/28/72/15/988287215.db2.gz KFMDVTLDUWBICY-UHFFFAOYSA-N -1 0 345.395 3.771 20 0 EHADRM CCc1ccc(OC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)c(C(C)(C)C)c1 ZINC001597556583 988291402 /nfs/dbraw/zinc/29/14/02/988291402.db2.gz RPMIZCVFBPQSIH-WMLDXEAASA-N -1 0 348.439 3.864 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2CCCC2(C)C)cc1 ZINC001599810768 988330932 /nfs/dbraw/zinc/33/09/32/988330932.db2.gz GOTITDPSQADTHU-LSDHHAIUSA-N -1 0 335.469 3.867 20 0 EHADRM CSc1ccc(CCC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])cc1 ZINC001599811829 988350030 /nfs/dbraw/zinc/35/00/30/988350030.db2.gz CDXKCGFHYBDZNI-KRWDZBQOSA-N -1 0 349.496 3.881 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)CCOc1cccc(C)c1C ZINC001597572891 988355870 /nfs/dbraw/zinc/35/58/70/988355870.db2.gz OHDUFVFYDNJETO-UHFFFAOYSA-N -1 0 341.407 3.972 20 0 EHADRM CSc1ccc(C)c(C(=O)N2CCc3cc(C(=O)[O-])ccc3C2)c1 ZINC001599812318 988358569 /nfs/dbraw/zinc/35/85/69/988358569.db2.gz TWMUPIIDBKHFLU-UHFFFAOYSA-N -1 0 341.432 3.614 20 0 EHADRM CCc1cccc(CC)c1NC(=O)[C@@H](C)SCC(C)(C)C(=O)[O-] ZINC001597584753 988391274 /nfs/dbraw/zinc/39/12/74/988391274.db2.gz FAVBCHGDNICQPP-GFCCVEGCSA-N -1 0 337.485 3.982 20 0 EHADRM CSc1ccc(Cl)c(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC001599814680 988401219 /nfs/dbraw/zinc/40/12/19/988401219.db2.gz NANANCWSXJYIAE-ZJUUUORDSA-N -1 0 327.833 3.891 20 0 EHADRM CSc1ccc(NC(=O)c2ccc(C(F)F)nc2)cc1C(=O)[O-] ZINC001599817345 988449590 /nfs/dbraw/zinc/44/95/90/988449590.db2.gz KIECOHRGYPQIRX-UHFFFAOYSA-N -1 0 338.335 3.692 20 0 EHADRM CSc1ccc(NC(=O)N[C@H]2CC[C@H](SC)C2)cc1C(=O)[O-] ZINC001599817744 988455939 /nfs/dbraw/zinc/45/59/39/988455939.db2.gz JUHSYZBPSCDFKP-ONGXEEELSA-N -1 0 340.470 3.512 20 0 EHADRM CCc1cccc2c1OCC[C@@H]2N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001597603481 988468058 /nfs/dbraw/zinc/46/80/58/988468058.db2.gz DWYUBFFAXNRQHI-MFKMUULPSA-N -1 0 332.425 3.578 20 0 EHADRM CCc1ccccc1CNC(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001597609742 988499741 /nfs/dbraw/zinc/49/97/41/988499741.db2.gz SUPZLHOHKHLQAT-UHFFFAOYSA-N -1 0 349.390 3.817 20 0 EHADRM CSc1ccc([C@H](C)NC(=O)NCCCCCCC(=O)[O-])cc1 ZINC001599821190 988516629 /nfs/dbraw/zinc/51/66/29/988516629.db2.gz MYQJYRZJWFQJIH-ZDUSSCGKSA-N -1 0 338.473 3.804 20 0 EHADRM CCc1ccsc1C(=O)Nc1ncc(C(=O)[O-])c2ccccc12 ZINC001597626156 988576624 /nfs/dbraw/zinc/57/66/24/988576624.db2.gz NZOQZMJWRYQFCM-UHFFFAOYSA-N -1 0 326.377 3.809 20 0 EHADRM CCc1ccsc1C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001597626604 988579538 /nfs/dbraw/zinc/57/95/38/988579538.db2.gz WVOMLGOWFGJLNQ-OAHLLOKOSA-N -1 0 343.448 3.859 20 0 EHADRM CSc1ccccc1[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001599826047 988599487 /nfs/dbraw/zinc/59/94/87/988599487.db2.gz FKLACCSRBLBMQS-NSHDSACASA-N -1 0 330.409 3.989 20 0 EHADRM CSc1ccccc1[C@@H](C)NC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001599826588 988607476 /nfs/dbraw/zinc/60/74/76/988607476.db2.gz UTCUXDGODXFKRO-GFCCVEGCSA-N -1 0 329.421 3.527 20 0 EHADRM CSc1ccsc1C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001599826841 988610575 /nfs/dbraw/zinc/61/05/75/988610575.db2.gz ZZTXINNZNMLZGO-UHFFFAOYSA-N -1 0 329.349 3.699 20 0 EHADRM CCc1cnccc1[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001597636515 988616920 /nfs/dbraw/zinc/61/69/20/988616920.db2.gz AKFSZPMAFGFUQV-GFCCVEGCSA-N -1 0 327.384 3.533 20 0 EHADRM CCc1nc(C(C)C)ccc1C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC001597652012 988695717 /nfs/dbraw/zinc/69/57/17/988695717.db2.gz HAICVIKZSIIAPJ-UHFFFAOYSA-N -1 0 346.471 3.922 20 0 EHADRM CN(C(=O)c1c([O-])cccc1F)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000274813748 1015414699 /nfs/dbraw/zinc/41/46/99/1015414699.db2.gz WCKZXPGKXPCIKN-YOEHRIQHSA-N -1 0 347.361 3.663 20 0 EHADRM C[C@@H](NC(=O)c1csc(C(=O)[O-])n1)c1cc(Cl)ccc1Cl ZINC001599840822 988825506 /nfs/dbraw/zinc/82/55/06/988825506.db2.gz GPYMFUKVQVLUGT-ZCFIWIBFSA-N -1 0 345.207 3.639 20 0 EHADRM CCc1nc(SCc2c(Cl)cccc2C(=O)[O-])[nH]c(=O)c1C ZINC001597689537 988861003 /nfs/dbraw/zinc/86/10/03/988861003.db2.gz MCLSEHXSBVNTJJ-UHFFFAOYSA-N -1 0 338.816 3.697 20 0 EHADRM CCc1nc2ccccc2c(SCc2cccc(C(=O)[O-])n2)n1 ZINC001597690426 988871047 /nfs/dbraw/zinc/87/10/47/988871047.db2.gz VNAQBRMMFNUDTL-UHFFFAOYSA-N -1 0 325.393 3.578 20 0 EHADRM CCc1nn(C)cc1N[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001597722953 989004530 /nfs/dbraw/zinc/00/45/30/989004530.db2.gz BGGPDTOADLOKNH-ZDUSSCGKSA-N -1 0 328.199 3.527 20 0 EHADRM CCc1nnc(CSCc2ccc(C(=O)[O-])c(Cl)c2)s1 ZINC001597730243 989045520 /nfs/dbraw/zinc/04/55/20/989045520.db2.gz NHOXBJFABRLUDK-UHFFFAOYSA-N -1 0 328.846 3.886 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN[C@H](COC)c1cccc(Cl)c1 ZINC001597767184 989217748 /nfs/dbraw/zinc/21/77/48/989217748.db2.gz FYTXYKNNGKZOCY-CQSZACIVSA-N -1 0 337.803 3.671 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN[C@@H](C)c1cc(Cl)cc2c1OCC2 ZINC001597767447 989221559 /nfs/dbraw/zinc/22/15/59/989221559.db2.gz NORXMCZVLALVIE-JTQLQIEISA-N -1 0 349.814 3.979 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)c2ccccc2O1 ZINC001599870820 989346783 /nfs/dbraw/zinc/34/67/83/989346783.db2.gz IVDIYIVIOMPBMF-MEBBXXQBSA-N -1 0 344.342 3.558 20 0 EHADRM CCc1oc(CN2C[C@H]3CCCCN3c3ccccc32)cc1C(=O)[O-] ZINC001597796029 989350513 /nfs/dbraw/zinc/35/05/13/989350513.db2.gz IICVWEMDFHSNQJ-CQSZACIVSA-N -1 0 340.423 3.919 20 0 EHADRM CCc1oc(CN[C@@H](c2ccccc2)c2ccccn2)cc1C(=O)[O-] ZINC001597798428 989367198 /nfs/dbraw/zinc/36/71/98/989367198.db2.gz FGBQMJAPLFWCFT-IBGZPJMESA-N -1 0 336.391 3.814 20 0 EHADRM CCc1sc(C(=O)N(C)c2c(OC)cccc2C(=O)[O-])cc1C ZINC001597818621 989455067 /nfs/dbraw/zinc/45/50/67/989455067.db2.gz YURFOZRMFQPXPI-UHFFFAOYSA-N -1 0 333.409 3.602 20 0 EHADRM CCc1occc1C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC001597824048 989477702 /nfs/dbraw/zinc/47/77/02/989477702.db2.gz LWEWUUKDHOETSG-KRWDZBQOSA-N -1 0 337.375 3.941 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC001599882846 989508545 /nfs/dbraw/zinc/50/85/45/989508545.db2.gz GVXQLUGOWQGDTD-IOASZLSFSA-N -1 0 342.222 3.563 20 0 EHADRM CC(C)(C)OC(=O)NCc1ccccc1OCc1occc1C(=O)[O-] ZINC001590230902 989604351 /nfs/dbraw/zinc/60/43/51/989604351.db2.gz WSULPSRMJOLVNU-UHFFFAOYSA-N -1 0 347.367 3.582 20 0 EHADRM CC(C)(C)OC(=O)c1ccc(/C=C(/C(=O)[O-])c2ccncc2)cc1 ZINC001590364874 989833174 /nfs/dbraw/zinc/83/31/74/989833174.db2.gz VMNKLDPPDHHBQF-FOWTUZBSSA-N -1 0 325.364 3.662 20 0 EHADRM CC(C)(C)Oc1ccccc1NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001590422013 989966090 /nfs/dbraw/zinc/96/60/90/989966090.db2.gz AOWWKFKSTWEEAR-LUAWRHEFSA-N -1 0 329.352 3.807 20 0 EHADRM CC(C)(C)Sc1cc(C(=O)N(C2CC2)C2(C(=O)[O-])CCC2)ccn1 ZINC001590429904 989989017 /nfs/dbraw/zinc/98/90/17/989989017.db2.gz OHHWPFOROYVTNP-UHFFFAOYSA-N -1 0 348.468 3.584 20 0 EHADRM CC(C)(C)Sc1ccc(NC(=O)c2ccc(C(=O)[O-])[nH]2)cc1F ZINC001590435128 989995315 /nfs/dbraw/zinc/99/53/15/989995315.db2.gz WMUVLABRBUWMOS-UHFFFAOYSA-N -1 0 336.388 3.995 20 0 EHADRM CC(C)(C)[C@H](NC(=O)[C@H]1CC[C@@H]1c1ccc(Cl)cc1F)C(=O)[O-] ZINC001590435559 989998551 /nfs/dbraw/zinc/99/85/51/989998551.db2.gz QGZJSXJFMOFFKU-SCDSUCTJSA-N -1 0 341.810 3.588 20 0 EHADRM CC(C)(C)c1ccc(/C=C/C(=O)N(C2CC2)C2(C(=O)[O-])CCC2)cc1 ZINC001590479508 990052611 /nfs/dbraw/zinc/05/26/11/990052611.db2.gz CSVDQPOGZXHHTA-KPKJPENVSA-N -1 0 341.451 3.996 20 0 EHADRM CC(C)(C)c1ccc(/C=C\C(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC001590480227 990062071 /nfs/dbraw/zinc/06/20/71/990062071.db2.gz QMMRQMLZSGWIFV-XFXZXTDPSA-N -1 0 329.440 3.901 20 0 EHADRM CC(C)(C)c1ccc(/C=C\C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)cc1 ZINC001590480587 990067839 /nfs/dbraw/zinc/06/78/39/990067839.db2.gz XDCRTEMICJKWON-QRXULTAKSA-N -1 0 341.451 3.853 20 0 EHADRM CC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)[O-])c2Cl)nc1 ZINC001590481920 990077052 /nfs/dbraw/zinc/07/70/52/990077052.db2.gz VRXHTDKEVIRQJR-UHFFFAOYSA-N -1 0 332.787 3.983 20 0 EHADRM CC(C)(C)c1ccc(C(=O)Nc2nc3c(cccc3C(=O)[O-])[nH]2)s1 ZINC001590481806 990077453 /nfs/dbraw/zinc/07/74/53/990077453.db2.gz VLNACYMPKPXXOX-UHFFFAOYSA-N -1 0 343.408 3.872 20 0 EHADRM CC(C)(C)c1ccc(CCC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)cc1 ZINC001590484930 990081176 /nfs/dbraw/zinc/08/11/76/990081176.db2.gz KLUJCHLGCPKBFJ-ATLSCFEFSA-N -1 0 343.467 3.532 20 0 EHADRM CC(C)(C)c1ccc(CCNC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC001590485194 990082256 /nfs/dbraw/zinc/08/22/56/990082256.db2.gz QYQOATKXJIRVHX-LUAWRHEFSA-N -1 0 341.407 3.647 20 0 EHADRM CC(C)(C)c1ccc2[nH]c(C(=O)NCc3ccc(C(=O)[O-])o3)cc2c1 ZINC001590500147 990114018 /nfs/dbraw/zinc/11/40/18/990114018.db2.gz CGPVFCQMEJHHAE-UHFFFAOYSA-N -1 0 340.379 3.687 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)NC(C)(C)c1nocc1C(=O)[O-] ZINC001590506454 990123145 /nfs/dbraw/zinc/12/31/45/990123145.db2.gz YSOGAHBCKKDXLV-UHFFFAOYSA-N -1 0 345.399 3.727 20 0 EHADRM CC(C)(C)c1cnc(CN2CCc3c(cccc3C(=O)[O-])C2)s1 ZINC001590515898 990132646 /nfs/dbraw/zinc/13/26/46/990132646.db2.gz NYVBLKPDMKIYOC-UHFFFAOYSA-N -1 0 330.453 3.697 20 0 EHADRM CC(C)(C)c1coc(CNc2ncc(C(=O)[O-])cc2C(F)(F)F)n1 ZINC001590527320 990142555 /nfs/dbraw/zinc/14/25/55/990142555.db2.gz YLGADGHTRCSXSC-UHFFFAOYSA-N -1 0 343.305 3.696 20 0 EHADRM CC(C)(C)c1nc(NC(=O)[C@@H]2CCC[C@@H](F)C2)sc1C(=O)[O-] ZINC001590542073 990169449 /nfs/dbraw/zinc/16/94/49/990169449.db2.gz NFFQKXUIAPTSDA-RKDXNWHRSA-N -1 0 328.409 3.606 20 0 EHADRM CC(C)(C)c1ncc(C(=O)Nc2c(C(=O)[O-])ccc3ccccc32)cn1 ZINC001590550439 990188499 /nfs/dbraw/zinc/18/84/99/990188499.db2.gz GBJCZHFCSBOCIC-UHFFFAOYSA-N -1 0 349.390 3.878 20 0 EHADRM CC(C)(C)c1ncc(COC(=O)c2ccc(C(=O)[O-])cc2F)s1 ZINC001590556216 990195825 /nfs/dbraw/zinc/19/58/25/990195825.db2.gz MICYSNQNXJPUNO-UHFFFAOYSA-N -1 0 337.372 3.635 20 0 EHADRM CC(C)(C)n1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)n1 ZINC001590599646 990253438 /nfs/dbraw/zinc/25/34/38/990253438.db2.gz HIBVYKBSYWTMBR-UHFFFAOYSA-N -1 0 347.440 3.529 20 0 EHADRM O=C(/C=C/c1cnc2ccccc2n1)Nc1cccc(Cl)c1[O-] ZINC000179723222 1015560385 /nfs/dbraw/zinc/56/03/85/1015560385.db2.gz VIBQRKTZZJBAPJ-CMDGGOBGSA-N -1 0 325.755 3.641 20 0 EHADRM CN(C(=O)c1cccs1)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598093350 990439526 /nfs/dbraw/zinc/43/95/26/990439526.db2.gz AKXHIIGLOBRPCX-GFCCVEGCSA-N -1 0 344.219 3.953 20 0 EHADRM CN(C(=O)c1ccccc1C(=O)[O-])c1ccc(-c2nccs2)cc1 ZINC001598093867 990443890 /nfs/dbraw/zinc/44/38/90/990443890.db2.gz SQQKRDFTUWRLCR-UHFFFAOYSA-N -1 0 338.388 3.785 20 0 EHADRM CC(C)(CNC(=O)C1(C(=O)[O-])CC2(CCC2)C1)c1ccc(Cl)cc1 ZINC001590706010 990447952 /nfs/dbraw/zinc/44/79/52/990447952.db2.gz CEDDKRZHRUUGRZ-UHFFFAOYSA-N -1 0 349.858 3.769 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(C(=O)[O-])cn1)c1cccc(Cl)c1 ZINC001590734212 990526464 /nfs/dbraw/zinc/52/64/64/990526464.db2.gz FEUQQQUZLQQKQS-UHFFFAOYSA-N -1 0 347.802 3.533 20 0 EHADRM CC(C)(CNC(=O)Nc1cccc(SC(F)F)c1)CC(=O)[O-] ZINC001590738218 990531198 /nfs/dbraw/zinc/53/11/98/990531198.db2.gz ICKDBSPLJMBGRZ-UHFFFAOYSA-N -1 0 332.372 3.624 20 0 EHADRM CC(C)(CNc1ccc(C(=O)[O-])nn1)c1ccc(Cl)c(Cl)c1 ZINC001590774533 990578750 /nfs/dbraw/zinc/57/87/50/990578750.db2.gz YPZAKCCLCXQPJO-UHFFFAOYSA-N -1 0 340.210 3.871 20 0 EHADRM CC(C)(Oc1ccc(Cl)cc1)C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC001590904382 990866115 /nfs/dbraw/zinc/86/61/15/990866115.db2.gz GVJASUOOLCBUJU-UHFFFAOYSA-N -1 0 348.782 3.730 20 0 EHADRM CC(C)(Oc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001590906873 990871640 /nfs/dbraw/zinc/87/16/40/990871640.db2.gz IFHNABCWPCNAAI-UHFFFAOYSA-N -1 0 333.771 3.834 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)Nc2ccc(C(=O)[O-])c(O)c2)c1 ZINC001590926751 990926432 /nfs/dbraw/zinc/92/64/32/990926432.db2.gz DLBPWFNJXMVKQV-UHFFFAOYSA-N -1 0 341.363 3.688 20 0 EHADRM CC(C)C(=O)c1ccc([C@H](C)C(=O)O[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC001590949381 991007493 /nfs/dbraw/zinc/00/74/93/991007493.db2.gz QEWMTGQPONILPK-IAOVAPTHSA-N -1 0 346.423 3.815 20 0 EHADRM Fc1ccc(CN=c2[n-]nc(CC3CCCCC3)o2)c2ncccc12 ZINC000579872400 1015604991 /nfs/dbraw/zinc/60/49/91/1015604991.db2.gz ZZIRLMKLMAPFFM-UHFFFAOYSA-N -1 0 340.402 3.914 20 0 EHADRM COc1cccc2c(C(=O)O[C@@H](C)c3cc(C(=O)[O-])co3)coc21 ZINC001599689376 991041480 /nfs/dbraw/zinc/04/14/80/991041480.db2.gz KBICAESCPSLTDM-VIFPVBQESA-N -1 0 330.292 3.651 20 0 EHADRM CC(C)C(C)(C)NC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001590963861 991066431 /nfs/dbraw/zinc/06/64/31/991066431.db2.gz NCHFVRFXQUJUPY-UHFFFAOYSA-N -1 0 347.459 3.931 20 0 EHADRM COc1cccc2c1CN(Cc1cc(C(=O)[O-])ccc1Cl)CC2 ZINC001599691943 991084083 /nfs/dbraw/zinc/08/40/83/991084083.db2.gz KSFRYQKEEUUYSU-UHFFFAOYSA-N -1 0 331.799 3.605 20 0 EHADRM COc1cccc2c1OCC[C@H]2NCc1cc(C(=O)[O-])ccc1Cl ZINC001599694026 991118709 /nfs/dbraw/zinc/11/87/09/991118709.db2.gz QFXJFPLEGYBZAI-OAHLLOKOSA-N -1 0 347.798 3.660 20 0 EHADRM CC(C)[C@@H](CCc1ccccc1)C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001590980713 991133897 /nfs/dbraw/zinc/13/38/97/991133897.db2.gz JDSGTAKEMFTXEP-RCCFBDPRSA-N -1 0 331.456 3.651 20 0 EHADRM COc1ccccc1-c1ncc(CNc2ccc(C)c(C(=O)[O-])c2)cn1 ZINC001599695108 991136610 /nfs/dbraw/zinc/13/66/10/991136610.db2.gz KZDWSZLSUKWZKL-UHFFFAOYSA-N -1 0 349.390 3.771 20 0 EHADRM CC(C)[C@@H](CNc1ccc2cnn(CC(=O)[O-])c2c1)c1ccccc1 ZINC001590988042 991177607 /nfs/dbraw/zinc/17/76/07/991177607.db2.gz JSANPQJHKSFILW-GOSISDBHSA-N -1 0 337.423 3.973 20 0 EHADRM CC(C)[C@H](CNC(=O)c1cc(C(=O)[O-])ccn1)c1ccc(Cl)cc1 ZINC001590988597 991186382 /nfs/dbraw/zinc/18/63/82/991186382.db2.gz NFVVMGHEWFPEBC-HNNXBMFYSA-N -1 0 346.814 3.603 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)Cc1cccc(C2CC2)c1 ZINC001598292914 991206665 /nfs/dbraw/zinc/20/66/65/991206665.db2.gz KDLGQRXPGNWSFY-UHFFFAOYSA-N -1 0 338.407 3.509 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)NC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001590993710 991214353 /nfs/dbraw/zinc/21/43/53/991214353.db2.gz PQBDBCLCHKZMQV-INIZCTEOSA-N -1 0 344.386 3.913 20 0 EHADRM COc1ccccc1[C@@]1(C)C[C@H]1Nc1ncc(C(=O)[O-])cc1Cl ZINC001599702313 991238361 /nfs/dbraw/zinc/23/83/61/991238361.db2.gz LNESYLFCUKIYAE-RHSMWYFYSA-N -1 0 332.787 3.584 20 0 EHADRM CC(C)[C@H](NC(=O)Nc1cc(C(=O)[O-])cnc1Cl)c1ccccc1 ZINC001591012854 991278579 /nfs/dbraw/zinc/27/85/79/991278579.db2.gz AWZOUBAIYHUBCF-AWEZNQCLSA-N -1 0 347.802 3.952 20 0 EHADRM CC(C)[C@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1F ZINC001591013186 991281499 /nfs/dbraw/zinc/28/14/99/991281499.db2.gz IZWPGLXOMZRXPG-KRWDZBQOSA-N -1 0 344.386 3.720 20 0 EHADRM CN(C)c1ccc2cc(NC(=O)Cc3cccc(C(=O)[O-])c3)ccc2c1 ZINC001598335471 991389490 /nfs/dbraw/zinc/38/94/90/991389490.db2.gz MCCDWICEQIEGLP-UHFFFAOYSA-N -1 0 348.402 3.785 20 0 EHADRM COc1ccccc1OCCS[C@@H](Cc1ccc(C)cc1)C(=O)[O-] ZINC001599717152 991475950 /nfs/dbraw/zinc/47/59/50/991475950.db2.gz DBWRLQPKYUUEQK-SFHVURJKSA-N -1 0 346.448 3.812 20 0 EHADRM CC(C)[C@@H]1C[C@H](CC(=O)Nc2cccc(Cl)c2C(=O)[O-])CCO1 ZINC001591072521 991535498 /nfs/dbraw/zinc/53/54/98/991535498.db2.gz MWHDBGFDSBWOLB-RISCZKNCSA-N -1 0 339.819 3.818 20 0 EHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC001591080771 991586742 /nfs/dbraw/zinc/58/67/42/991586742.db2.gz CVMBVZNNTQOMFH-MNOVXSKESA-N -1 0 340.370 3.999 20 0 EHADRM CC(C)[C@@H]1CCCN(C(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)CC1 ZINC001591086732 991603596 /nfs/dbraw/zinc/60/35/96/991603596.db2.gz DFGNBBNWJNFBMO-OXFYSEKESA-N -1 0 329.440 3.530 20 0 EHADRM CC(C)[C@H]1CCC[C@](NC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)(C(F)(F)F)CC1 ZINC001591089289 991631290 /nfs/dbraw/zinc/63/12/90/991631290.db2.gz UORSYSATMPPOSC-BCUIYNNISA-N -1 0 349.393 3.751 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)Nc2nc(CC(=O)[O-])cs2)c2ccccc21 ZINC001591093221 991654714 /nfs/dbraw/zinc/65/47/14/991654714.db2.gz MADANDUCAGMKBU-ZDUSSCGKSA-N -1 0 345.424 3.562 20 0 EHADRM CC(C)[C@H]1CN(C(=O)Nc2cccc(CCC(=O)[O-])c2)[C@H]1C(C)C ZINC001591093369 991657306 /nfs/dbraw/zinc/65/73/06/991657306.db2.gz RJHHHTUKFUQBFS-AEFFLSMTSA-N -1 0 332.444 3.848 20 0 EHADRM CC(C)[C@@H]1CCc2ccccc2N1C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001591094025 991667215 /nfs/dbraw/zinc/66/72/15/991667215.db2.gz FFXCVDHKTFTPSO-YHVDPYDOSA-N -1 0 339.391 3.995 20 0 EHADRM CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001591095471 991681043 /nfs/dbraw/zinc/68/10/43/991681043.db2.gz VZGQWVSBFRWXLW-QXCFHYIPSA-N -1 0 343.467 3.953 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)CC2(CC(=O)[O-])CCCC2)c2ccccc2N1 ZINC001591095506 991681056 /nfs/dbraw/zinc/68/10/56/991681056.db2.gz WMTDSTJMKCRMAJ-INIZCTEOSA-N -1 0 344.455 3.895 20 0 EHADRM CC(C)[C@H]1CN(Cc2ccc(OCC(=O)[O-])cc2)c2ccccc21 ZINC001591096849 991695544 /nfs/dbraw/zinc/69/55/44/991695544.db2.gz VTIIUUPJANHQJX-GOSISDBHSA-N -1 0 325.408 3.910 20 0 EHADRM CC(C)[C@H]1N(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CC1(C)C ZINC001591099653 991713909 /nfs/dbraw/zinc/71/39/09/991713909.db2.gz OQRBMCNLTAKMTF-CYBMUJFWSA-N -1 0 326.343 3.561 20 0 EHADRM CC(C)C[C@H](C(=O)[O-])N1CC2(CC2)c2ccc(Br)cc21 ZINC001591121431 991795215 /nfs/dbraw/zinc/79/52/15/991795215.db2.gz VWPLAMMKHQAPQK-CQSZACIVSA-N -1 0 338.245 3.800 20 0 EHADRM CC(C)C[C@H](C)OCCC(=O)N1c2ccccc2C[C@H](C)[C@@H]1C(=O)[O-] ZINC001591138043 991852756 /nfs/dbraw/zinc/85/27/56/991852756.db2.gz JAXODIVEQDWWNE-YZVOILCLSA-N -1 0 347.455 3.506 20 0 EHADRM CN(C[C@@H]1CC1(C)C)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001598447892 991892873 /nfs/dbraw/zinc/89/28/73/991892873.db2.gz JYKCDOUOCSUDIN-LSDHHAIUSA-N -1 0 332.444 3.526 20 0 EHADRM CC(C)C[C@@H](CNc1ccnc(CSc2ccccc2)n1)C(=O)[O-] ZINC001591162516 991923471 /nfs/dbraw/zinc/92/34/71/991923471.db2.gz HIHWSRZQRZXRIP-AWEZNQCLSA-N -1 0 345.468 3.928 20 0 EHADRM CC(C)C[C@H](NC(=O)c1ccc(C(=O)[O-])n1C)c1ccc(Cl)cc1 ZINC001591178654 991976633 /nfs/dbraw/zinc/97/66/33/991976633.db2.gz SEZWNZRKBWTDRV-AWEZNQCLSA-N -1 0 348.830 3.894 20 0 EHADRM CC(C)C[C@H](Sc1nc2ccccc2c(=O)n1C(C)C)C(=O)[O-] ZINC001591191147 992000553 /nfs/dbraw/zinc/00/05/53/992000553.db2.gz QHZQHRQFEJUZMO-AWEZNQCLSA-N -1 0 334.441 3.569 20 0 EHADRM CC(C)C[C@H](Sc1nnc(NC2CCCCC2)s1)C(=O)[O-] ZINC001591191196 992000898 /nfs/dbraw/zinc/00/08/98/992000898.db2.gz SLNMRDCWBDEYFZ-NSHDSACASA-N -1 0 329.491 3.874 20 0 EHADRM CC(C)CC1(CNC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])CCC1 ZINC001591196661 992012819 /nfs/dbraw/zinc/01/28/19/992012819.db2.gz ICNQYIBKFKTYFE-UHFFFAOYSA-N -1 0 342.439 3.741 20 0 EHADRM CC(C)CC[C@@H](C)NC(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC001591217365 992072719 /nfs/dbraw/zinc/07/27/19/992072719.db2.gz GCNCGANTAVJFSZ-NEPJUHHUSA-N -1 0 340.395 3.624 20 0 EHADRM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001591223364 992095837 /nfs/dbraw/zinc/09/58/37/992095837.db2.gz YCKJBZRXXZFQIJ-DLBZAZTESA-N -1 0 338.492 3.878 20 0 EHADRM CC(C)CCCCCC(=O)N[C@@](C)(Cc1ccc(F)cc1)C(=O)[O-] ZINC001591236306 992115324 /nfs/dbraw/zinc/11/53/24/992115324.db2.gz BBRLCPHEFRHFTI-IBGZPJMESA-N -1 0 337.435 3.934 20 0 EHADRM O=S(=O)([N-]c1cnc2c(c1)CCCC2)c1ccc(C(F)F)cc1 ZINC000584314463 1032123626 /nfs/dbraw/zinc/12/36/26/1032123626.db2.gz KEJYBKYQDKOEDR-UHFFFAOYSA-N -1 0 338.379 3.699 20 0 EHADRM CN(CCCc1ccccc1)C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001598484739 992190416 /nfs/dbraw/zinc/19/04/16/992190416.db2.gz FACQVETWXNJSCC-UHFFFAOYSA-N -1 0 347.802 3.530 20 0 EHADRM CC(C)CN(C(=O)COc1ccc(C(C)(C)C)cc1)C(C)(C)C(=O)[O-] ZINC001591280807 992211158 /nfs/dbraw/zinc/21/11/58/992211158.db2.gz RILMRAWBQGQRAO-UHFFFAOYSA-N -1 0 349.471 3.711 20 0 EHADRM CC(C)CN(C(=O)CCc1cc(Cl)cs1)C(C)(C)C(=O)[O-] ZINC001591281125 992213159 /nfs/dbraw/zinc/21/31/59/992213159.db2.gz HIWOJJZWOFSTDB-UHFFFAOYSA-N -1 0 331.865 3.682 20 0 EHADRM CC(C)CN(C(=O)C[C@]12CCCC[C@H]1C2(F)F)C(C)(C)C(=O)[O-] ZINC001591281482 992216105 /nfs/dbraw/zinc/21/61/05/992216105.db2.gz PJCIYRBPGIGYPX-MLGOLLRUSA-N -1 0 331.403 3.550 20 0 EHADRM CC(C)CN(C(=O)c1ccc(C(F)F)c(F)c1)C(C)(C)C(=O)[O-] ZINC001591284888 992220611 /nfs/dbraw/zinc/22/06/11/992220611.db2.gz GXVSVDXKQRPHFK-UHFFFAOYSA-N -1 0 331.334 3.725 20 0 EHADRM CC(C)CN(C(=O)c1ccc(OC(F)(F)F)cc1)C(C)(C)C(=O)[O-] ZINC001591285425 992223830 /nfs/dbraw/zinc/22/38/30/992223830.db2.gz QZROBGZYTBDFNF-UHFFFAOYSA-N -1 0 347.333 3.547 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)c1cc2c3ccccc3n(C)c2s1 ZINC001591298298 992249276 /nfs/dbraw/zinc/24/92/76/992249276.db2.gz ZMGNILDZSITQOV-UHFFFAOYSA-N -1 0 344.436 3.576 20 0 EHADRM CC(C)CN(CC(=O)[O-])c1ncnc2sc(-c3ccccc3)cc21 ZINC001591310389 992272143 /nfs/dbraw/zinc/27/21/43/992272143.db2.gz XHXLBSSZGCULNS-UHFFFAOYSA-N -1 0 341.436 3.905 20 0 EHADRM CS[C@H](C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1)c1ccccc1 ZINC001599780302 992355926 /nfs/dbraw/zinc/35/59/26/992355926.db2.gz HPLBKNRCBUSXMV-WBMJQRKESA-N -1 0 329.421 3.918 20 0 EHADRM CS[C@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC001599780320 992356199 /nfs/dbraw/zinc/35/61/99/992356199.db2.gz HZHBPWYILKAVGU-WBVHZDCISA-N -1 0 347.411 3.562 20 0 EHADRM Cc1ccc(Cc2n[n-]c(=NC(=O)N3C[C@@H](C)CC[C@@H]3C)s2)cc1 ZINC000510139463 1015705798 /nfs/dbraw/zinc/70/57/98/1015705798.db2.gz JWWRQLAPGGUKTP-KBPBESRZSA-N -1 0 344.484 3.512 20 0 EHADRM CN(CCc1cccc2ccccc21)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001598502115 992448931 /nfs/dbraw/zinc/44/89/31/992448931.db2.gz QSBYRQREWUMQQE-ZRDIBKRKSA-N -1 0 349.386 3.845 20 0 EHADRM CC(C)COC1CCN(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)CC1 ZINC001591391312 992451603 /nfs/dbraw/zinc/45/16/03/992451603.db2.gz JZAVGCJKWRQGSZ-AWEZNQCLSA-N -1 0 348.443 3.544 20 0 EHADRM CC(C)COc1ccc(CC(=O)O[C@@H](C)c2cc(C(=O)[O-])co2)cc1 ZINC001591401361 992471988 /nfs/dbraw/zinc/47/19/88/992471988.db2.gz JTQDMWBVZOUNEH-ZDUSSCGKSA-N -1 0 346.379 3.860 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cccc(OC(C)(C)C)c1 ZINC001598512080 992575167 /nfs/dbraw/zinc/57/51/67/992575167.db2.gz IVHCQJCMEGUGBN-UHFFFAOYSA-N -1 0 341.407 3.834 20 0 EHADRM CC(C)Cc1ccc(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)s1 ZINC001591477686 992599058 /nfs/dbraw/zinc/59/90/58/992599058.db2.gz VUBNZLMSOGCHSG-UHFFFAOYSA-N -1 0 343.448 3.843 20 0 EHADRM CC(C)Cc1ccc(CC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc1 ZINC001591483402 992603089 /nfs/dbraw/zinc/60/30/89/992603089.db2.gz CYQABPAYKSAXFV-WIYYLYMNSA-N -1 0 343.467 3.531 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC001591488900 992617999 /nfs/dbraw/zinc/61/79/99/992617999.db2.gz JVXQWNJBHPMRDC-CABCVRRESA-N -1 0 331.456 3.700 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cn1)C(=O)c1ccc(C2CCCC2)cc1 ZINC001598516753 992625075 /nfs/dbraw/zinc/62/50/75/992625075.db2.gz LXHVAOFGIZCTNP-UHFFFAOYSA-N -1 0 338.407 3.710 20 0 EHADRM CC(C)Cc1ncc(CN2C[C@@H](C(=O)[O-])Cc3ccccc32)s1 ZINC001591496982 992630810 /nfs/dbraw/zinc/63/08/10/992630810.db2.gz PNIRVAMFGWARFQ-AWEZNQCLSA-N -1 0 330.453 3.605 20 0 EHADRM CN(Cc1ccc(F)c(Cl)c1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001598517845 992639864 /nfs/dbraw/zinc/63/98/64/992639864.db2.gz YJBYAFMMABWVPH-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM CC(C)Cn1ccc2c1cccc2C(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC001591521740 992692361 /nfs/dbraw/zinc/69/23/61/992692361.db2.gz RUSSRMFJHBYYCV-AWEZNQCLSA-N -1 0 342.439 3.623 20 0 EHADRM CC(C)Cn1ncc(Nc2ncc(C(=O)[O-])cc2Cl)c1C(F)F ZINC001591533260 992709485 /nfs/dbraw/zinc/70/94/85/992709485.db2.gz GHDGJSSFECJSCB-UHFFFAOYSA-N -1 0 344.749 3.967 20 0 EHADRM CC(C)N(C(=O)c1ccc(C(=O)[O-])n1C)c1ccc(F)cc1Cl ZINC001591542950 992723894 /nfs/dbraw/zinc/72/38/94/992723894.db2.gz SWGWHKWOBFRMNP-UHFFFAOYSA-N -1 0 338.766 3.571 20 0 EHADRM CN(Cc1ccsc1C(=O)[O-])[C@@]1(c2ccccc2)CCCCC1=O ZINC001598534126 992829884 /nfs/dbraw/zinc/82/98/84/992829884.db2.gz PIXLWZGFMZBFFT-LJQANCHMSA-N -1 0 343.448 3.917 20 0 EHADRM CC(C)N(Cc1ccccc1)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001591603667 992836047 /nfs/dbraw/zinc/83/60/47/992836047.db2.gz MDYPIKJHTRPPOB-UHFFFAOYSA-N -1 0 332.444 3.642 20 0 EHADRM C[N@H+](Cc1nc2cc(C(F)(F)F)ccc2o1)C(C)(C)CC(=O)[O-] ZINC001598537991 992862632 /nfs/dbraw/zinc/86/26/32/992862632.db2.gz WOGDRYLTYFGEFX-UHFFFAOYSA-N -1 0 330.306 3.532 20 0 EHADRM O=C(Nc1ccccc1OCCc1ccccc1)c1cncc(O)c1 ZINC000339850208 1015750406 /nfs/dbraw/zinc/75/04/06/1015750406.db2.gz IBDOJUXMDSIKOI-UHFFFAOYSA-N -1 0 334.375 3.661 20 0 EHADRM COc1ccc(N(CC(C)C)C(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC001599584304 993591658 /nfs/dbraw/zinc/59/16/58/993591658.db2.gz MOCIWXYHXCWDJN-UHFFFAOYSA-N -1 0 341.407 3.625 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@@](C)(C(=O)[O-])C1)c1cccc(C2CC2)c1 ZINC001593064339 993598951 /nfs/dbraw/zinc/59/89/51/993598951.db2.gz SNBBKRAYAFNMAE-BFUOFWGJSA-N -1 0 330.428 3.521 20 0 EHADRM COc1ccc(NC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)c(C(=O)[O-])c1 ZINC001599589257 993657035 /nfs/dbraw/zinc/65/70/35/993657035.db2.gz DFJMLRMCBABJOX-BPLDGKMQSA-N -1 0 331.412 3.938 20 0 EHADRM C[C@H](NC(=O)NCC1(C)CCCCCC1)c1ncc(C(=O)[O-])s1 ZINC001593089362 993706677 /nfs/dbraw/zinc/70/66/77/993706677.db2.gz UDNMSQXYOLCIKP-NSHDSACASA-N -1 0 339.461 3.562 20 0 EHADRM C[C@@H](NC(=O)NCCCCCCC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001593095488 993718754 /nfs/dbraw/zinc/71/87/54/993718754.db2.gz WVFBDQBAIWNUJG-LLVKDONJSA-N -1 0 344.814 3.874 20 0 EHADRM COc1ccc(NC(=O)Nc2ccc(C(=O)[O-])cc2)cc1SC ZINC001599594386 993730491 /nfs/dbraw/zinc/73/04/91/993730491.db2.gz PRDIEFZTCFGICT-UHFFFAOYSA-N -1 0 332.381 3.759 20 0 EHADRM COc1ccc(N[C@H](C(=O)[O-])c2c(F)cccc2Cl)cc1F ZINC001599596761 993759183 /nfs/dbraw/zinc/75/91/83/993759183.db2.gz VBHXEUUBJGVXBQ-AWEZNQCLSA-N -1 0 327.714 3.865 20 0 EHADRM COc1ccc(OC(F)F)c(N[C@@H](C)CC(C)(C)CC(=O)[O-])c1 ZINC001599600898 993814149 /nfs/dbraw/zinc/81/41/49/993814149.db2.gz XLDCKCZCOPZLDN-JTQLQIEISA-N -1 0 331.359 3.988 20 0 EHADRM C[C@H](NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccccc1Oc1ccccc1 ZINC001593139850 993917916 /nfs/dbraw/zinc/91/79/16/993917916.db2.gz AOOFZRVXVYRGEE-SOUVJXGZSA-N -1 0 339.391 3.767 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)N[C@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC001593142078 993935619 /nfs/dbraw/zinc/93/56/19/993935619.db2.gz QTFNUMQUVDMHEU-NXWXRZEISA-N -1 0 345.483 3.897 20 0 EHADRM C[C@@](NC(=O)c1cc2c(cccc2C2CC2)[nH]1)(C(=O)[O-])c1ccccc1 ZINC001593154472 993962155 /nfs/dbraw/zinc/96/21/55/993962155.db2.gz DHJQSTSWPLMZNR-NRFANRHFSA-N -1 0 348.402 3.775 20 0 EHADRM C[C@@H](NC(=O)c1cncc(C(=O)[O-])c1)c1cccc(Cl)c1Cl ZINC001593185415 994098150 /nfs/dbraw/zinc/09/81/50/994098150.db2.gz XLMQBXOLZBOWCU-MRVPVSSYSA-N -1 0 339.178 3.578 20 0 EHADRM COc1ccc2[nH]c(C(=O)O[C@H](C)c3cc(C)c(C(=O)[O-])o3)cc2c1 ZINC001599622878 994108649 /nfs/dbraw/zinc/10/86/49/994108649.db2.gz LOVYZJFVDOLCDN-SNVBAGLBSA-N -1 0 343.335 3.694 20 0 EHADRM C[C@@H](NC(=S)NC1(CC(=O)[O-])CC1)c1ccc(Cl)cc1Cl ZINC001593190045 994117993 /nfs/dbraw/zinc/11/79/93/994117993.db2.gz KSFRCIYDZJUKOH-MRVPVSSYSA-N -1 0 347.267 3.526 20 0 EHADRM C[C@@H](NC(=S)Nc1cc(F)c(C(=O)[O-])c(F)c1)c1ccccc1 ZINC001593190334 994120270 /nfs/dbraw/zinc/12/02/70/994120270.db2.gz MFPQWNKORDSHSG-SECBINFHSA-N -1 0 336.363 3.711 20 0 EHADRM C[C@@H](N[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1)c1cscn1 ZINC001593190889 994128992 /nfs/dbraw/zinc/12/89/92/994128992.db2.gz YATPWVPGSFJYMK-KRTXAFLBSA-N -1 0 331.224 3.926 20 0 EHADRM C[C@H](N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cc(C(=O)[O-])co1 ZINC001593208584 994228613 /nfs/dbraw/zinc/22/86/13/994228613.db2.gz IVHISWZNUKTMBB-KCTSRDHCSA-N -1 0 333.359 3.688 20 0 EHADRM COc1ccc2cc(-c3noc(-c4cccc(C(=O)[O-])n4)n3)ccc2c1 ZINC001599633679 994254986 /nfs/dbraw/zinc/25/49/86/994254986.db2.gz NHYVOSAVWOMNOZ-UHFFFAOYSA-N -1 0 347.330 3.659 20 0 EHADRM COc1ccc2cc(C(=O)Nc3ccc(C(=O)[O-])cc3)sc2c1 ZINC001599636590 994297467 /nfs/dbraw/zinc/29/74/67/994297467.db2.gz RPXRMFAYRDGADF-UHFFFAOYSA-N -1 0 327.361 3.860 20 0 EHADRM C[C@@H](N[C@H]1CCCOc2c(F)cccc21)c1ncc(C(=O)[O-])s1 ZINC001593221205 994321841 /nfs/dbraw/zinc/32/18/41/994321841.db2.gz YGRWKXOXIWVJCE-SKDRFNHKSA-N -1 0 336.388 3.545 20 0 EHADRM COc1cccc(-c2csc(CN3CCCCC[C@@H]3C(=O)[O-])n2)c1 ZINC001599638522 994324223 /nfs/dbraw/zinc/32/42/23/994324223.db2.gz BMHGEJHYQGTWIE-MRXNPFEDSA-N -1 0 346.452 3.648 20 0 EHADRM Cc1cc(C)cc(C[C@H](C)NC(=O)c2cc(F)c(F)c([O-])c2F)c1 ZINC000180079066 1015852416 /nfs/dbraw/zinc/85/24/16/1015852416.db2.gz ZRDLTVBVBYBOTQ-NSHDSACASA-N -1 0 337.341 3.787 20 0 EHADRM C[C@H]([NH2+][C@H]1CCC[C@@H](CCCC(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593225560 994346639 /nfs/dbraw/zinc/34/66/39/994346639.db2.gz UZENEDSWXDYKSJ-UVPYHEFZSA-N -1 0 339.476 3.525 20 0 EHADRM C[C@H](N[C@H]1CCc2cc(F)c(F)c(F)c21)c1cncc(C(=O)[O-])c1 ZINC001593233667 994393318 /nfs/dbraw/zinc/39/33/18/994393318.db2.gz RVHZMWBHTJVFLK-SDBXPKJASA-N -1 0 336.313 3.535 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)C[C@H]1CCCCC1(C)C ZINC001599645286 994416809 /nfs/dbraw/zinc/41/68/09/994416809.db2.gz JUNBNTSOMDJVRZ-CYBMUJFWSA-N -1 0 333.428 3.963 20 0 EHADRM COc1cccc([C@H](C(=O)[O-])N(C)C(=O)CCCC2CCCC2)c1 ZINC001599647953 994452390 /nfs/dbraw/zinc/45/23/90/994452390.db2.gz NZWSUIROKVMIFE-GOSISDBHSA-N -1 0 333.428 3.640 20 0 EHADRM COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)C[C@@H](C)CC(C)(C)C)c1 ZINC001599648466 994459217 /nfs/dbraw/zinc/45/92/17/994459217.db2.gz WDBLFNFAWOYDMU-DYVFJYSZSA-N -1 0 335.444 3.742 20 0 EHADRM COc1cccc([C@H](C(=O)[O-])N2CC[C@H]2c2ccc(Cl)cc2)c1 ZINC001599651255 994505200 /nfs/dbraw/zinc/50/52/00/994505200.db2.gz SQBQXXIXQQGHTK-DLBZAZTESA-N -1 0 331.799 3.921 20 0 EHADRM COc1cccc(/C(C)=C/C(=O)Nc2cc(C)c(C(=O)[O-])s2)c1 ZINC001599654156 994551148 /nfs/dbraw/zinc/55/11/48/994551148.db2.gz ILIJQLPZTCLATD-JXMROGBWSA-N -1 0 331.393 3.805 20 0 EHADRM COc1cccc(/C(C)=C\C(=O)O[C@@H](C)c2cc(C(=O)[O-])co2)c1 ZINC001599654308 994554155 /nfs/dbraw/zinc/55/41/55/994554155.db2.gz KQWJOZWQNSDOID-RDQDRAATSA-N -1 0 330.336 3.694 20 0 EHADRM COc1cccc([C@H](C)NC(=O)Nc2cc(C(=O)[O-])sc2C)c1 ZINC001599657939 994610304 /nfs/dbraw/zinc/61/03/04/994610304.db2.gz RCJNFLREMYWKKA-VIFPVBQESA-N -1 0 334.397 3.646 20 0 EHADRM C[C@H](NCc1cc(C(=O)[O-])co1)c1nc(-c2ccc(Cl)cc2)no1 ZINC001593289588 994665443 /nfs/dbraw/zinc/66/54/43/994665443.db2.gz VDQUAGBGHCWSRA-VIFPVBQESA-N -1 0 347.758 3.532 20 0 EHADRM C[C@@H](NCc1cc(F)cc(Br)c1)c1cc(C(=O)[O-])co1 ZINC001593292824 994679522 /nfs/dbraw/zinc/67/95/22/994679522.db2.gz PEHHTILWJWTDQA-MRVPVSSYSA-N -1 0 342.164 3.730 20 0 EHADRM COc1cccc(CC(=O)[O-])c1OCc1cccc(OC(F)F)c1 ZINC001599665378 994720604 /nfs/dbraw/zinc/72/06/04/994720604.db2.gz QAYVPVCVRGLKTA-UHFFFAOYSA-N -1 0 338.306 3.503 20 0 EHADRM C[C@H](NCc1cncc(C(=O)[O-])c1)c1nc(-c2ccccc2)cs1 ZINC001593311499 994784141 /nfs/dbraw/zinc/78/41/41/994784141.db2.gz RRGKFHJCILQZTP-LBPRGKRZSA-N -1 0 339.420 3.754 20 0 EHADRM C[C@H](NCc1csc(C(=O)[O-])c1)c1ncc(-c2ccccc2)o1 ZINC001593312278 994797465 /nfs/dbraw/zinc/79/74/65/994797465.db2.gz SBLWJRFVUJPJCE-NSHDSACASA-N -1 0 328.393 3.952 20 0 EHADRM COc1cccc(NCc2oc(Br)cc2C(=O)[O-])c1C ZINC001599679972 994963868 /nfs/dbraw/zinc/96/38/68/994963868.db2.gz RGOYRJWXDGTYRS-UHFFFAOYSA-N -1 0 340.173 3.669 20 0 EHADRM CO/C(=C\c1ccccc1)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC001598684329 994983301 /nfs/dbraw/zinc/98/33/01/994983301.db2.gz JFNAXWSATGSWIC-KAECEXQPSA-N -1 0 325.364 3.501 20 0 EHADRM C[C@@H](Nc1cc(C(=O)[O-])ncn1)[C@@H](C)c1ccccc1C(F)(F)F ZINC001593359465 995017941 /nfs/dbraw/zinc/01/79/41/995017941.db2.gz FXRLTQHEEDBWJX-NXEZZACHSA-N -1 0 339.317 3.798 20 0 EHADRM C[C@@H](Nc1cc(C(=O)[O-])ncn1)c1cccc(SC(F)(F)F)c1 ZINC001593360504 995022856 /nfs/dbraw/zinc/02/28/56/995022856.db2.gz SGAXJQZFEJWQMJ-MRVPVSSYSA-N -1 0 343.330 3.960 20 0 EHADRM C[C@@H](Nc1ccc(N2CCOC[C@H]2C)cc1)c1cc(C(=O)[O-])cs1 ZINC001593363475 995035813 /nfs/dbraw/zinc/03/58/13/995035813.db2.gz QXFPZCACMMZCBD-CHWSQXEVSA-N -1 0 346.452 3.845 20 0 EHADRM COC(=O)[C@@H](C)c1cccc(NCc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001598693893 995105828 /nfs/dbraw/zinc/10/58/28/995105828.db2.gz WBQWNEWHXKQONN-ZDUSSCGKSA-N -1 0 327.380 3.582 20 0 EHADRM O=C([O-])CCN(C(=O)c1ccc(OCC2CCCCC2)cc1)C1CC1 ZINC000238054241 1015922234 /nfs/dbraw/zinc/92/22/34/1015922234.db2.gz KWWUZBNCZBETGZ-UHFFFAOYSA-N -1 0 345.439 3.725 20 0 EHADRM COC(=O)[C@H](N[C@@H](C)c1cccc(C)c1C)c1cccc(C(=O)[O-])c1 ZINC001598705805 995285202 /nfs/dbraw/zinc/28/52/02/995285202.db2.gz IAROWBHQLSCRJQ-KBXCAEBGSA-N -1 0 341.407 3.567 20 0 EHADRM C[C@@H](OC(=O)CCSc1ccccc1F)c1cc(C(=O)[O-])co1 ZINC001593525663 995564688 /nfs/dbraw/zinc/56/46/88/995564688.db2.gz OKELKTAYLVZFNA-SNVBAGLBSA-N -1 0 338.356 3.904 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2c(C)cccc2OC(F)F)c1F ZINC000180502501 1015963576 /nfs/dbraw/zinc/96/35/76/1015963576.db2.gz MEIYLHBXIUZQCN-UHFFFAOYSA-N -1 0 345.342 3.845 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)[C@@H]1CCCc2sccc21)c1cccs1 ZINC000683299475 1015974501 /nfs/dbraw/zinc/97/45/01/1015974501.db2.gz YJELZEOMHSGHLR-VXGBXAGGSA-N -1 0 335.450 3.562 20 0 EHADRM C[C@@H](Oc1ccc(NC(=O)c2ccccc2Cl)cc1F)C(=O)[O-] ZINC001593634647 995926725 /nfs/dbraw/zinc/92/67/25/995926725.db2.gz XEVPCKMAAMWDTI-SECBINFHSA-N -1 0 337.734 3.583 20 0 EHADRM C[C@@H](Oc1ccccc1CNc1cccc(-c2cc[nH]n2)c1)C(=O)[O-] ZINC001593650514 996006825 /nfs/dbraw/zinc/00/68/25/996006825.db2.gz CSRJENQNTMIVMB-CYBMUJFWSA-N -1 0 337.379 3.541 20 0 EHADRM C[C@@H](SCc1cccc(C(=O)[O-])c1Cl)C(=O)N1CCCCC1 ZINC001593661825 996039342 /nfs/dbraw/zinc/03/93/42/996039342.db2.gz NNZDDQLYIUWXJO-LLVKDONJSA-N -1 0 341.860 3.672 20 0 EHADRM C[C@@H](OC(=O)[C@@H](C)SCc1ccccc1)c1cc(C(=O)[O-])co1 ZINC001593663760 996045976 /nfs/dbraw/zinc/04/59/76/996045976.db2.gz RFENPAMWDAGZFE-VXGBXAGGSA-N -1 0 334.393 3.904 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ncc(C(=O)[O-])s1 ZINC001593664063 996048423 /nfs/dbraw/zinc/04/84/23/996048423.db2.gz FMANBHWFEQPNMH-SSDOTTSWSA-N -1 0 342.829 3.614 20 0 EHADRM C[C@H](c1ccc2c(c1)CCC2)[S@](=O)CCc1ccccc1C(=O)[O-] ZINC001593698673 996166447 /nfs/dbraw/zinc/16/64/47/996166447.db2.gz HRQTXKJPDXQNGX-JBEBIEQOSA-N -1 0 342.460 3.926 20 0 EHADRM C[C@@H](c1ccccc1)N(C(=O)/C=C/c1ccc(C(=O)[O-])o1)C1CC1 ZINC001593705088 996187697 /nfs/dbraw/zinc/18/76/97/996187697.db2.gz GHKDIGJBLUOWDB-XSNHNAGMSA-N -1 0 325.364 3.743 20 0 EHADRM C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001593706060 996194206 /nfs/dbraw/zinc/19/42/06/996194206.db2.gz OACZDEHTZLPDFQ-UGSOOPFHSA-N -1 0 341.382 3.932 20 0 EHADRM C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Cc1cccc(C(=O)[O-])c1 ZINC001593707747 996202992 /nfs/dbraw/zinc/20/29/92/996202992.db2.gz ZDFPZTIDFWQLTL-HNAYVOBHSA-N -1 0 337.419 3.722 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(C)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001593713182 996218875 /nfs/dbraw/zinc/21/88/75/996218875.db2.gz KHTCNLSWLCHFOD-AAEUAGOBSA-N -1 0 338.835 3.543 20 0 EHADRM O=C([O-])c1ccc2nc(/C=C\c3ccccc3-n3cncn3)sc2c1 ZINC000683303411 1016017042 /nfs/dbraw/zinc/01/70/42/1016017042.db2.gz WVCSLDCHLASKLS-VURMDHGXSA-N -1 0 348.387 3.746 20 0 EHADRM C[C@@H](c1nc(C(=O)[O-])co1)N1CCC(c2cccc(Cl)c2)CC1 ZINC001593723915 996260641 /nfs/dbraw/zinc/26/06/41/996260641.db2.gz BUOHKMHMQOWSJO-NSHDSACASA-N -1 0 334.803 3.967 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)N(CCC(=O)[O-])CC2CC2)cc1 ZINC000683304131 1016021271 /nfs/dbraw/zinc/02/12/71/1016021271.db2.gz GGJCCWZJWVCAEV-ONEGZZNKSA-N -1 0 329.440 3.927 20 0 EHADRM C[C@H](c1ncc(C(=O)[O-])s1)N(Cc1ccc(F)cc1F)C1CC1 ZINC001593732141 996309076 /nfs/dbraw/zinc/30/90/76/996309076.db2.gz OTRJOJITHILHCG-SECBINFHSA-N -1 0 338.379 3.845 20 0 EHADRM C[C@@H](c1ncc(C(=O)[O-])s1)N1CCc2c(F)cc(F)cc2[C@@H]1C ZINC001593738325 996345583 /nfs/dbraw/zinc/34/55/83/996345583.db2.gz ZKJCFJNXPUFVGT-IUCAKERBSA-N -1 0 338.379 3.800 20 0 EHADRM C[C@@]1(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CCc2ccccc2C1 ZINC001593759876 996417183 /nfs/dbraw/zinc/41/71/83/996417183.db2.gz MYZMEJXVHQJUHH-LJQANCHMSA-N -1 0 345.345 3.797 20 0 EHADRM C[C@]1(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CCc2ccccc2C1 ZINC001593760506 996419667 /nfs/dbraw/zinc/41/96/67/996419667.db2.gz ZZXDDSCYYPJGHL-IBGZPJMESA-N -1 0 345.345 3.797 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(c2ccc(-c3ccc(Cl)s3)nn2)C1 ZINC001593779369 996489569 /nfs/dbraw/zinc/48/95/69/996489569.db2.gz YIWQGIVFYZZGRA-OAHLLOKOSA-N -1 0 337.832 3.550 20 0 EHADRM C[C@]1(C(=O)OCc2coc(-c3ccc(C(=O)[O-])cc3)n2)C[C@H]2C[C@H]2C1 ZINC001593812359 996543324 /nfs/dbraw/zinc/54/33/24/996543324.db2.gz BUKVQHOKTBZJOQ-BDQBCWGISA-N -1 0 341.363 3.519 20 0 EHADRM CC1(C)[C@@H](c2cccc(Cl)c2)CCN1C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001593837482 996595210 /nfs/dbraw/zinc/59/52/10/996595210.db2.gz IKAUKCDKRPPMFB-VNHYZAJKSA-N -1 0 335.831 3.545 20 0 EHADRM CC1(C)[C@H](c2ccccc2F)CCN1C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001593841901 996600904 /nfs/dbraw/zinc/60/09/04/996600904.db2.gz JQMYCGMRYADFMI-LZWOXQAQSA-N -1 0 347.430 3.811 20 0 EHADRM CC1(C)CC(=O)c2cnc(S[C@H](C(=O)[O-])c3ccsc3)nc2C1 ZINC001593846923 996611701 /nfs/dbraw/zinc/61/17/01/996611701.db2.gz BWHBCPFRBPTMIR-ZDUSSCGKSA-N -1 0 348.449 3.611 20 0 EHADRM CC1(C)CC(C(=O)NCc2ccccc2CC(=O)[O-])CC(C)(C)C1 ZINC001593848113 996617935 /nfs/dbraw/zinc/61/79/35/996617935.db2.gz JBLRARQPURLQPW-UHFFFAOYSA-N -1 0 331.456 3.782 20 0 EHADRM C[C@](CNC(=O)C1CC(C)(C)CC(C)(C)C1)(C(=O)[O-])c1ccccc1 ZINC001593848230 996618949 /nfs/dbraw/zinc/61/89/49/996618949.db2.gz MIKXIOZHNNXZCM-OAQYLSRUSA-N -1 0 345.483 3.998 20 0 EHADRM CC1(C)C[C@H](OC(=O)Cc2cccc(C(=O)[O-])c2)c2ccccc2O1 ZINC001593861780 996656160 /nfs/dbraw/zinc/65/61/60/996656160.db2.gz IFXBGBQYMSZOSC-KRWDZBQOSA-N -1 0 340.375 3.773 20 0 EHADRM CC1(C)CCC(=CC(=O)N2C[C@H](C(=O)[O-])Oc3cc(F)ccc32)CC1 ZINC001593871376 996684188 /nfs/dbraw/zinc/68/41/88/996684188.db2.gz SYAUQMJOTSADNN-MRXNPFEDSA-N -1 0 347.386 3.531 20 0 EHADRM CC1(C)CCC(C)(CNC(=O)N2CCC(CCC(=O)[O-])CC2)CC1 ZINC001593874054 996686779 /nfs/dbraw/zinc/68/67/79/996686779.db2.gz LCJVNCZUPUXQOW-UHFFFAOYSA-N -1 0 338.492 3.879 20 0 EHADRM CC1(C)CC[C@@H](C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)[C@@H](c2ccccc2)C1 ZINC001593874296 996689191 /nfs/dbraw/zinc/68/91/91/996689191.db2.gz JEOPJNKEHDMOEZ-QBPKDAKJSA-N -1 0 329.440 3.576 20 0 EHADRM CC1(C)CC[C@@H](C(=O)N[C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)C1 ZINC001593874686 996691833 /nfs/dbraw/zinc/69/18/33/996691833.db2.gz PDWMVPWIYUMIMW-OLZOCXBDSA-N -1 0 343.345 3.931 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC001593881582 996711836 /nfs/dbraw/zinc/71/18/36/996711836.db2.gz CNFNSIHUMMDCEU-CQSZACIVSA-N -1 0 345.443 3.685 20 0 EHADRM CC1(C)CCC[C@](NC(=O)[C@H]2CC[C@@H](C(F)(F)F)C2)(C(=O)[O-])C1 ZINC001593892512 996741633 /nfs/dbraw/zinc/74/16/33/996741633.db2.gz SSINNUIXDHZETN-FIXISWKDSA-N -1 0 335.366 3.505 20 0 EHADRM CC1(C)CCC[C@@H]1C(=O)Nc1cc(C(F)(F)F)cnc1C(=O)[O-] ZINC001593896904 996755871 /nfs/dbraw/zinc/75/58/71/996755871.db2.gz FINFJAXLNULKAV-SECBINFHSA-N -1 0 330.306 3.563 20 0 EHADRM CC1(C)CCC[C@H]1[C@H]1CCN(C(=O)c2cc(F)cc(C(=O)[O-])c2)C1 ZINC001593897228 996757481 /nfs/dbraw/zinc/75/74/81/996757481.db2.gz KQYHLFBEXJZLQT-LRDDRELGSA-N -1 0 333.403 3.812 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCCCOc1cccc(Cl)c1 ZINC001599379265 996805824 /nfs/dbraw/zinc/80/58/24/996805824.db2.gz BHHFPAGJJZGGJD-UHFFFAOYSA-N -1 0 336.771 3.895 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)c(F)c1 ZINC001599486468 996858426 /nfs/dbraw/zinc/85/84/26/996858426.db2.gz UZWLUEHXOPHHKG-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM COCc1c2ccccc2oc1C(=O)OCc1cc(C(=O)[O-])oc1C ZINC001599279196 996865348 /nfs/dbraw/zinc/86/53/48/996865348.db2.gz WFUWTKHYWNNXGF-UHFFFAOYSA-N -1 0 344.319 3.536 20 0 EHADRM CC1(C)CN(C(=O)NCC2(CC(=O)[O-])CCCC2)[C@@H]1c1ccccc1 ZINC001593929626 996893475 /nfs/dbraw/zinc/89/34/75/996893475.db2.gz YYUZANTYEIXPQG-QGZVFWFLSA-N -1 0 344.455 3.814 20 0 EHADRM CC1(C)CN(C(=O)c2ccc(/C=C\C(=O)[O-])o2)c2ccccc2S1 ZINC001593936400 996917285 /nfs/dbraw/zinc/91/72/85/996917285.db2.gz FRVFSQFAIJSBQI-NTMALXAHSA-N -1 0 343.404 3.909 20 0 EHADRM COCc1cc(NC(=O)Cc2cccc(C)c2Cl)cc(C(=O)[O-])c1 ZINC001599283808 996939082 /nfs/dbraw/zinc/93/90/82/996939082.db2.gz YGXZUOMBGXYNNN-UHFFFAOYSA-N -1 0 347.798 3.674 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)C[C@@H](C)c2ccc(F)cc2)c1 ZINC001599491358 996944473 /nfs/dbraw/zinc/94/44/73/996944473.db2.gz RIYWPGNOVPIAEZ-LLVKDONJSA-N -1 0 332.327 3.632 20 0 EHADRM COCc1cc(NC(=O)NC2CCCCCCC2)cc(C(=O)[O-])c1 ZINC001599287368 997002423 /nfs/dbraw/zinc/00/24/23/997002423.db2.gz LTAJBIYKIVIYAQ-UHFFFAOYSA-N -1 0 334.416 3.766 20 0 EHADRM COc1cc(C)c([C@@H](C)OC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1C ZINC001599390894 997032540 /nfs/dbraw/zinc/03/25/40/997032540.db2.gz SWBWWNVAVSRLIM-WPUWVODUSA-N -1 0 346.423 3.951 20 0 EHADRM CC1(C)COc2ccc(C(=O)NCCCCC3(C(=O)[O-])CCC3)cc21 ZINC001593961147 997088110 /nfs/dbraw/zinc/08/81/10/997088110.db2.gz WXBBEBZAHCNICA-UHFFFAOYSA-N -1 0 345.439 3.512 20 0 EHADRM COc1ccc(C(=O)[O-])cc1CN[C@@H](c1ccc(C)o1)C(F)(F)F ZINC001599501306 997126470 /nfs/dbraw/zinc/12/64/70/997126470.db2.gz RUDFMLIAVSJECB-AWEZNQCLSA-N -1 0 343.301 3.688 20 0 EHADRM CC1(C)Cc2cccc(NC(=O)NC3(CC(=O)[O-])CCCCC3)c2O1 ZINC001593969366 997133646 /nfs/dbraw/zinc/13/36/46/997133646.db2.gz MOYGDPHTSJTBMI-UHFFFAOYSA-N -1 0 346.427 3.699 20 0 EHADRM CC1(C)Cc2cccc(C(=O)Nc3c(F)ccc(F)c3C(=O)[O-])c2O1 ZINC001593969578 997138110 /nfs/dbraw/zinc/13/81/10/997138110.db2.gz ZHAOVYKMBLDTNL-UHFFFAOYSA-N -1 0 347.317 3.629 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)/C=C(/C)c1ccccc1 ZINC001599396771 997140363 /nfs/dbraw/zinc/14/03/63/997140363.db2.gz RDTHSDQOBGHKIE-PYANCPKHSA-N -1 0 338.359 3.802 20 0 EHADRM COC1(CNc2cc(C(F)(F)F)c(C(=O)[O-])cn2)CCC(C)CC1 ZINC001599090730 997187147 /nfs/dbraw/zinc/18/71/47/997187147.db2.gz LTKXFNUMIHLHSC-UHFFFAOYSA-N -1 0 346.349 3.806 20 0 EHADRM COCc1cccc(CNC(=O)Nc2c(C)sc(C)c2C(=O)[O-])c1 ZINC001599298410 997188287 /nfs/dbraw/zinc/18/82/87/997188287.db2.gz WUNAXHMGDPPQEK-UHFFFAOYSA-N -1 0 348.424 3.531 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC001599399775 997193634 /nfs/dbraw/zinc/19/36/34/997193634.db2.gz ORUPJXVNIOCJSL-RJXMKIDGSA-N -1 0 330.380 3.525 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1Oc1ncnc2ccc(F)cc21 ZINC001599400543 997206599 /nfs/dbraw/zinc/20/65/99/997206599.db2.gz OLKLDBXNUWRBIA-CLTKARDFSA-N -1 0 340.310 3.668 20 0 EHADRM CC1(C)[C@H](C(=O)N[C@H](C(=O)[O-])C2CCCCC2)[C@H]1c1ccccc1 ZINC001593987240 997227216 /nfs/dbraw/zinc/22/72/16/997227216.db2.gz MUGFYWVKLBMOBJ-IKGGRYGDSA-N -1 0 329.440 3.576 20 0 EHADRM COc1ccc([C@@H](C)N(C)C(=O)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC001599507617 997238839 /nfs/dbraw/zinc/23/88/39/997238839.db2.gz UNWAEOGOQKUXAG-CYBMUJFWSA-N -1 0 342.395 3.927 20 0 EHADRM C[C@@]1(CC(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)CC1(Cl)Cl ZINC001593997968 997320573 /nfs/dbraw/zinc/32/05/73/997320573.db2.gz GYKUBKXICBMONR-GFCCVEGCSA-N -1 0 349.239 3.631 20 0 EHADRM CO[C@@H]1CCC[C@@H](C(=O)OCc2c3ccccc3sc2C(=O)[O-])C1 ZINC001599104559 997451111 /nfs/dbraw/zinc/45/11/11/997451111.db2.gz GWJHYBMFLBYVCS-VXGBXAGGSA-N -1 0 348.420 3.848 20 0 EHADRM CO[C@H]1CCC[C@H](C(=O)Nc2c(C(=O)[O-])ccc3ccccc32)C1 ZINC001599104729 997454058 /nfs/dbraw/zinc/45/40/58/997454058.db2.gz XSGVNPIUBKIWRM-KBPBESRZSA-N -1 0 327.380 3.682 20 0 EHADRM COc1ccc([C@@H](NC(=O)Nc2ccc(C(=O)[O-])cc2)C(C)C)cc1 ZINC001599522643 997507210 /nfs/dbraw/zinc/50/72/10/997507210.db2.gz UULPAZVSJPTZTG-KRWDZBQOSA-N -1 0 342.395 3.912 20 0 EHADRM COc1cc(COc2ccccc2[C@H](OC)C(=O)[O-])ccc1Cl ZINC001599416661 997524016 /nfs/dbraw/zinc/52/40/16/997524016.db2.gz BXQPLMDOOFRWJZ-INIZCTEOSA-N -1 0 336.771 3.700 20 0 EHADRM O=C([O-])C1(CNC(=O)c2ccc3c(c2)Cc2ccccc2-3)CCCC1 ZINC000683317067 1016134005 /nfs/dbraw/zinc/13/40/05/1016134005.db2.gz VOVXFFLRUBREOP-UHFFFAOYSA-N -1 0 335.403 3.633 20 0 EHADRM COc1cc(Cl)c(Cl)cc1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001599420221 997581219 /nfs/dbraw/zinc/58/12/19/997581219.db2.gz ZLJOHPPQDPHLEQ-RKDXNWHRSA-N -1 0 346.210 3.832 20 0 EHADRM COCC[C@@H](N[C@@H](C(=O)[O-])c1ccccc1Cl)c1ccc(C)o1 ZINC001599217995 997616348 /nfs/dbraw/zinc/61/63/48/997616348.db2.gz OLRURNCOGHNMKI-GDBMZVCRSA-N -1 0 337.803 3.735 20 0 EHADRM COCCC1(C(=O)Nc2cccc(C(=O)[O-])c2Cl)CCCC1 ZINC001599218427 997623134 /nfs/dbraw/zinc/62/31/34/997623134.db2.gz KVEKXSDRUKVNAC-UHFFFAOYSA-N -1 0 325.792 3.574 20 0 EHADRM COCCC1(CNC(=O)Nc2ccc(C(=O)[O-])cc2C)CCCCC1 ZINC001599219104 997634358 /nfs/dbraw/zinc/63/43/58/997634358.db2.gz WDCYMMLQDRUUNE-UHFFFAOYSA-N -1 0 348.443 3.802 20 0 EHADRM C[C@]1(Cc2ccccc2)SCCN1C(=O)c1cccc(C(=O)[O-])c1 ZINC001594041745 997667698 /nfs/dbraw/zinc/66/76/98/997667698.db2.gz SLURFPZQJBPFJH-LJQANCHMSA-N -1 0 341.432 3.533 20 0 EHADRM C[C@]1(Cc2cccc(F)c2)CCCN1C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001594041861 997669419 /nfs/dbraw/zinc/66/94/19/997669419.db2.gz UUQNNSVFVAEVTI-TWOQFEAHSA-N -1 0 347.430 3.640 20 0 EHADRM COc1cc(F)c([C@H](C)N[C@@H](C)c2cc(C(=O)[O-])co2)cc1OC ZINC001599425643 997670303 /nfs/dbraw/zinc/67/03/03/997670303.db2.gz MUGHSTWOQSOJRY-UWVGGRQHSA-N -1 0 337.347 3.546 20 0 EHADRM COCCCC[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001599223970 997723181 /nfs/dbraw/zinc/72/31/81/997723181.db2.gz LPMQRSLLVXQFDO-GOSISDBHSA-N -1 0 341.407 3.673 20 0 EHADRM COc1ccc(C2CC2)c(NC(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC001599536728 997757250 /nfs/dbraw/zinc/75/72/50/997757250.db2.gz FUBKWRLCAKBIDD-UHFFFAOYSA-N -1 0 329.327 3.662 20 0 EHADRM C[C@]1(NC(=O)c2cc(-c3ccccc3)ccn2)CCCC[C@@H]1C(=O)[O-] ZINC001594055831 997791390 /nfs/dbraw/zinc/79/13/90/997791390.db2.gz JLWNDSAEQULQDX-UZLBHIALSA-N -1 0 338.407 3.512 20 0 EHADRM COc1c(Cl)cc(Cl)cc1CNc1ccc(C(=O)[O-])nc1 ZINC001599333867 997796250 /nfs/dbraw/zinc/79/62/50/997796250.db2.gz AYYAFNHQNRVGEO-UHFFFAOYSA-N -1 0 327.167 3.707 20 0 EHADRM COc1cc(NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)c(C(=O)[O-])cc1OC ZINC001599433200 997796355 /nfs/dbraw/zinc/79/63/55/997796355.db2.gz JILYAKLDABYQMO-BLLLJJGKSA-N -1 0 347.411 3.579 20 0 EHADRM CC1(NC(=O)Nc2ccc(Oc3ccnc(C(=O)[O-])c3)cc2)CCC1 ZINC001594056564 997800979 /nfs/dbraw/zinc/80/09/79/997800979.db2.gz DEVIBRRAULYRMT-UHFFFAOYSA-N -1 0 341.367 3.636 20 0 EHADRM C[C@@]1(NC(=O)c2cc(Cl)c(F)cc2Cl)CCCC[C@@H]1C(=O)[O-] ZINC001594057147 997807584 /nfs/dbraw/zinc/80/75/84/997807584.db2.gz XCAQBZXYMRHGSL-RFAUZJTJSA-N -1 0 348.201 3.896 20 0 EHADRM COc1ccc(/C=C(/C)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1F ZINC001599541806 997855930 /nfs/dbraw/zinc/85/59/30/997855930.db2.gz RGCXSSJZBSFQEM-WQLSENKSSA-N -1 0 343.354 3.883 20 0 EHADRM Cc1nc(NC(=O)CCCCC(=O)[O-])sc1Cc1ccc(C)cc1 ZINC000655550506 1016165954 /nfs/dbraw/zinc/16/59/54/1016165954.db2.gz VKEOXCTUYMVYGQ-UHFFFAOYSA-N -1 0 346.452 3.934 20 0 EHADRM COc1c(NC(=O)N[C@H](C)c2ccccc2C)cccc1C(=O)[O-] ZINC001599339166 997891870 /nfs/dbraw/zinc/89/18/70/997891870.db2.gz ISSQKXFGFLNTAA-GFCCVEGCSA-N -1 0 328.368 3.585 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)c1csc(C)c1C ZINC001599544572 997901420 /nfs/dbraw/zinc/90/14/20/997901420.db2.gz ICLVQEXXIIAKAG-ALCCZGGFSA-N -1 0 332.377 3.691 20 0 EHADRM COc1c(NC(=O)N2Cc3ccccc3[C@H]2C)cccc1C(=O)[O-] ZINC001599340703 997917274 /nfs/dbraw/zinc/91/72/74/997917274.db2.gz MNWBDEJUTDKRJJ-LLVKDONJSA-N -1 0 326.352 3.502 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1cc(C)c(F)cc1F ZINC001599545858 997921226 /nfs/dbraw/zinc/92/12/26/997921226.db2.gz JNTRREQVPUIRGE-GQCTYLIASA-N -1 0 348.301 3.599 20 0 EHADRM COc1cc(NC(=O)c2[nH]c3ccccc3c2Cl)ccc1C(=O)[O-] ZINC001599440902 997927784 /nfs/dbraw/zinc/92/77/84/997927784.db2.gz OAUIOYOKZDTOHZ-UHFFFAOYSA-N -1 0 344.754 3.780 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1ccc(C)c(F)c1F ZINC001599546489 997931012 /nfs/dbraw/zinc/93/10/12/997931012.db2.gz OJEWJHWPFCLVCP-VMPITWQZSA-N -1 0 348.301 3.599 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1ccc(C)c(Cl)c1 ZINC001599547775 997954156 /nfs/dbraw/zinc/95/41/56/997954156.db2.gz XXUWYWGOPXMNGI-VMPITWQZSA-N -1 0 346.766 3.974 20 0 EHADRM C[C@]12CC3CC(C(=O)OCc4ccc(C(=O)[O-])cn4)(C1)C[C@@](C)(C3)C2 ZINC001594085041 998000741 /nfs/dbraw/zinc/00/07/41/998000741.db2.gz BMAMENNYMQUTBL-GOSFSIBNSA-N -1 0 343.423 3.820 20 0 EHADRM COc1cc(OC(=O)CC(C2CCC2)C2CCC2)ccc1C(=O)[O-] ZINC001599445712 998006138 /nfs/dbraw/zinc/00/61/38/998006138.db2.gz LPOLRQFFTZCPEM-UHFFFAOYSA-N -1 0 332.396 3.905 20 0 EHADRM COc1ccc(C[C@@H](C)CNc2ncc(C(=O)[O-])cc2Cl)cc1 ZINC001599551510 998014894 /nfs/dbraw/zinc/01/48/94/998014894.db2.gz UZTGSOKOLNFSMQ-LLVKDONJSA-N -1 0 334.803 3.733 20 0 EHADRM COc1cc(-c2nc(-c3cccc(C(=O)[O-])c3)no2)ccc1Cl ZINC001599346698 998019121 /nfs/dbraw/zinc/01/91/21/998019121.db2.gz JENLUSUGFJETRA-UHFFFAOYSA-N -1 0 330.727 3.764 20 0 EHADRM COc1cc(OC(=O)c2oc3c(cccc3F)c2C)ccc1C(=O)[O-] ZINC001599446751 998021411 /nfs/dbraw/zinc/02/14/11/998021411.db2.gz HQEVYIFFIXBIJS-UHFFFAOYSA-N -1 0 344.294 3.806 20 0 EHADRM COc1cc(OC(=O)c2cc3cccc(C)c3o2)ccc1C(=O)[O-] ZINC001599448254 998045244 /nfs/dbraw/zinc/04/52/44/998045244.db2.gz VEWXBSQQFXSGHF-UHFFFAOYSA-N -1 0 326.304 3.667 20 0 EHADRM CC1=C(C(=O)N[C@H](CC(=O)[O-])c2cccc3ccccc32)CCCO1 ZINC001594093887 998059004 /nfs/dbraw/zinc/05/90/04/998059004.db2.gz QFIAVPHRZOFTBP-GOSISDBHSA-N -1 0 339.391 3.556 20 0 EHADRM CC1=C(C(=O)[O-])C[C@@H](CN2C[C@H](c3ccccc3)c3ccccc32)O1 ZINC001594099911 998101845 /nfs/dbraw/zinc/10/18/45/998101845.db2.gz JNCUSSICDGKUDR-QFBILLFUSA-N -1 0 335.403 3.786 20 0 EHADRM CC1=C(C(=O)[O-])C[C@@H](CN(C)Cc2cccc(Cl)c2Cl)O1 ZINC001594100959 998116333 /nfs/dbraw/zinc/11/63/33/998116333.db2.gz YQWDVIGHKBNCET-NSHDSACASA-N -1 0 330.211 3.573 20 0 EHADRM COc1cc(OC)cc([C@H](N[C@H](C)c2ccc(C)s2)C(=O)[O-])c1 ZINC001599451825 998116453 /nfs/dbraw/zinc/11/64/53/998116453.db2.gz BEAUVUBTBQFTGH-BZNIZROVSA-N -1 0 335.425 3.550 20 0 EHADRM COc1ccc(CN(C)C(=O)Nc2cc(C)cc(C(=O)[O-])c2)cc1C ZINC001599557551 998121479 /nfs/dbraw/zinc/12/14/79/998121479.db2.gz CGKUZDPCRCPGFZ-UHFFFAOYSA-N -1 0 342.395 3.674 20 0 EHADRM CC1=C(c2ccco2)CN(C(=O)Nc2ccsc2C(=O)[O-])CC1 ZINC001594110096 998204654 /nfs/dbraw/zinc/20/46/54/998204654.db2.gz PTBSFVMVGAJKNX-UHFFFAOYSA-N -1 0 332.381 3.751 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)CC2CCC(C)(C)CC2)c1O ZINC001599359218 998231546 /nfs/dbraw/zinc/23/15/46/998231546.db2.gz JNGVYEATOPLHOQ-UHFFFAOYSA-N -1 0 335.400 3.644 20 0 EHADRM COCCOc1c(Cl)cccc1NCc1ccc(C(=O)[O-])cc1 ZINC001599252313 998253389 /nfs/dbraw/zinc/25/33/89/998253389.db2.gz KGSOCIXGDADUHN-UHFFFAOYSA-N -1 0 335.787 3.676 20 0 EHADRM Fc1ccc([C@@H]2C[C@@H](N=c3nc(-c4ccccc4)o[n-]3)CCO2)cc1 ZINC000547785992 1016200739 /nfs/dbraw/zinc/20/07/39/1016200739.db2.gz WQVNXDUZLHCKQE-IRXDYDNUSA-N -1 0 339.370 3.630 20 0 EHADRM COc1ccc(CNC(=O)Nc2ccccc2C(C)C)cc1C(=O)[O-] ZINC001599569557 998343764 /nfs/dbraw/zinc/34/37/64/998343764.db2.gz LTFFHGKTVXCEPS-UHFFFAOYSA-N -1 0 342.395 3.839 20 0 EHADRM C[C@@H]1[C@H](C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)[C@H]1c1ccccc1 ZINC001594134324 998364139 /nfs/dbraw/zinc/36/41/39/998364139.db2.gz AOEBGWQEDKJQMG-ZKFKSPHGSA-N -1 0 341.451 3.528 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@@H](CC(C)C)C1 ZINC001599370324 998399501 /nfs/dbraw/zinc/39/95/01/998399501.db2.gz FDWRKZHVNXPHQE-ZDUSSCGKSA-N -1 0 334.416 3.683 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H](C1CCC1)C1CCCC1 ZINC001599372307 998430450 /nfs/dbraw/zinc/43/04/50/998430450.db2.gz FCKPJEFSMKOVEH-QGZVFWFLSA-N -1 0 346.427 3.874 20 0 EHADRM COc1ccc(-c2noc(CCc3ccccc3C(=O)[O-])n2)cc1C ZINC001599471297 998455385 /nfs/dbraw/zinc/45/53/85/998455385.db2.gz CUGUEJMIWKCPME-UHFFFAOYSA-N -1 0 338.363 3.537 20 0 EHADRM COc1ccc(Cl)cc1Cc1noc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001599577957 998477475 /nfs/dbraw/zinc/47/74/75/998477475.db2.gz KSUROBVLWXPMFH-UHFFFAOYSA-N -1 0 344.754 3.688 20 0 EHADRM COCCn1c2ccccc2nc1SCc1cc(C(=O)[O-])c(C)o1 ZINC001599270135 998536718 /nfs/dbraw/zinc/53/67/18/998536718.db2.gz WOZZNVDZIXLLEC-UHFFFAOYSA-N -1 0 346.408 3.575 20 0 EHADRM COc1ccc(C(=O)N(CCC(=O)[O-])c2ccccc2C)cc1Cl ZINC001599480291 998596433 /nfs/dbraw/zinc/59/64/33/998596433.db2.gz TZVQPZKJMVUHKG-UHFFFAOYSA-N -1 0 347.798 3.779 20 0 EHADRM COc1ccc(C(=O)N(c2ccccc2C(=O)[O-])C2CCC2)cc1 ZINC001599480486 998599272 /nfs/dbraw/zinc/59/92/72/998599272.db2.gz YOTGXJHHTVHZER-UHFFFAOYSA-N -1 0 325.364 3.593 20 0 EHADRM C[C@@H]1C[C@H](C(=O)Nc2ccc(Oc3ccccc3)cc2C(=O)[O-])CO1 ZINC001594203821 998784519 /nfs/dbraw/zinc/78/45/19/998784519.db2.gz QTQBHSJEEOONJC-OLZOCXBDSA-N -1 0 341.363 3.541 20 0 EHADRM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1C(=O)c1ccnc2cc(Cl)ccc21 ZINC001594207617 998800809 /nfs/dbraw/zinc/80/08/09/998800809.db2.gz HDKUQRAEQPGGPT-QWRGUYRKSA-N -1 0 346.814 3.602 20 0 EHADRM C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001594214580 998826871 /nfs/dbraw/zinc/82/68/71/998826871.db2.gz LOCILKZWHZPKGG-WPRPVWTQSA-N -1 0 348.296 3.719 20 0 EHADRM C[C@H]1CC(C)(C)c2cccc(NC(=O)N[C@H]3C[C@@H]4C[C@]4(C(=O)[O-])C3)c21 ZINC001594216330 998831915 /nfs/dbraw/zinc/83/19/15/998831915.db2.gz FAIFUQNPEDRCRO-NJEYBTAUSA-N -1 0 342.439 3.846 20 0 EHADRM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001594216280 998831918 /nfs/dbraw/zinc/83/19/18/998831918.db2.gz VPAJEXLORLBWJM-DYVFJYSZSA-N -1 0 344.455 3.667 20 0 EHADRM C[C@@H]1CC(C(=O)Nc2cc(C(F)(F)F)cnc2C(=O)[O-])C[C@@H](C)C1 ZINC001594223171 998860369 /nfs/dbraw/zinc/86/03/69/998860369.db2.gz OUZHEYSIVRJTIP-IUCAKERBSA-N -1 0 344.333 3.809 20 0 EHADRM C[C@H]1CC(c2nc(COc3cccc(C(=O)[O-])c3)no2)C[C@H](C)C1 ZINC001594223707 998862944 /nfs/dbraw/zinc/86/29/44/998862944.db2.gz YZUKWBUAALIGIR-VXGBXAGGSA-N -1 0 330.384 3.887 20 0 EHADRM C[C@@H]1C[C@H](C)CN1C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001594230732 998877370 /nfs/dbraw/zinc/87/73/70/998877370.db2.gz OXXMFYNJNIUBTR-UONOGXRCSA-N -1 0 345.443 3.637 20 0 EHADRM C[C@H]1C[C@H](NC(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)CCS1 ZINC001594257784 998992168 /nfs/dbraw/zinc/99/21/68/998992168.db2.gz JVKPMLXCMGIYPF-JGVFFNPUSA-N -1 0 346.811 3.583 20 0 EHADRM CO[C@H](C(=O)[O-])c1ccccc1OCCCOc1ccccc1C ZINC001599026421 999019333 /nfs/dbraw/zinc/01/93/33/999019333.db2.gz LMFHJPZILKPZEA-SFHVURJKSA-N -1 0 330.380 3.615 20 0 EHADRM CO[C@@H](C(=O)[O-])c1ccccc1OCCCOc1ccccc1C ZINC001599026419 999019509 /nfs/dbraw/zinc/01/95/09/999019509.db2.gz LMFHJPZILKPZEA-GOSISDBHSA-N -1 0 330.380 3.615 20 0 EHADRM CO[C@@H](C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1)C1CCCCC1 ZINC001599028415 999032827 /nfs/dbraw/zinc/03/28/27/999032827.db2.gz ZADFMEIULXNODH-CQSZACIVSA-N -1 0 343.782 3.711 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001594269600 999041895 /nfs/dbraw/zinc/04/18/95/999041895.db2.gz KYBIWPQEYCFGCC-NFAWXSAZSA-N -1 0 339.395 3.578 20 0 EHADRM CO[C@@H](C)C(=O)Nc1cc(-c2ccccc2Cl)sc1C(=O)[O-] ZINC001599036290 999085402 /nfs/dbraw/zinc/08/54/02/999085402.db2.gz MPRQTWRFTYILFM-QMMMGPOBSA-N -1 0 339.800 3.740 20 0 EHADRM CO[C@H](C)CN(C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)C(C)C ZINC001599039785 999109400 /nfs/dbraw/zinc/10/94/00/999109400.db2.gz HPPZMHLRPXMONU-CYBMUJFWSA-N -1 0 344.411 3.815 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001594290781 999119630 /nfs/dbraw/zinc/11/96/30/999119630.db2.gz FNFHKACCHCHICB-AXAPSJFSSA-N -1 0 334.391 3.638 20 0 EHADRM CC1CCC(=CC(=O)N[C@@H](Cc2cc3ccccc3o2)C(=O)[O-])CC1 ZINC001594291106 999121670 /nfs/dbraw/zinc/12/16/70/999121670.db2.gz PGJNYDDXCKUPAS-RUINGEJQSA-N -1 0 341.407 3.681 20 0 EHADRM C[C@H]1CC=C(C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)CC1 ZINC001594291839 999125211 /nfs/dbraw/zinc/12/52/11/999125211.db2.gz ZQCUAFSZRRFIFJ-VIFPVBQESA-N -1 0 338.201 3.832 20 0 EHADRM C[C@@H]1CC/C(=C\C(=O)Oc2ccc(C(=O)[O-])cc2Br)C1 ZINC001594292569 999128516 /nfs/dbraw/zinc/12/85/16/999128516.db2.gz RLMDRXPXQBQICR-YIXGCBLDSA-N -1 0 339.185 3.799 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)C[C@@H]1C ZINC001594296343 999141462 /nfs/dbraw/zinc/14/14/62/999141462.db2.gz MQYJTVIDZGTHGO-YQYZPQCESA-N -1 0 343.467 3.993 20 0 EHADRM C[C@@H]1CCC(C)(C)N1C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001594296964 999144541 /nfs/dbraw/zinc/14/45/41/999144541.db2.gz YZPYFNKQQOLPPR-UKRRQHHQSA-N -1 0 332.444 3.811 20 0 EHADRM C[C@@H]1CC[C@@](NC(=O)/C=C/C2CCCC2)(C(=O)[O-])c2ccccc21 ZINC001594312897 999202308 /nfs/dbraw/zinc/20/23/08/999202308.db2.gz FFQOBKRMTQFGGR-DCRNKBBPSA-N -1 0 327.424 3.726 20 0 EHADRM C[C@@H]1CC[C@](NC(=O)C[C@@H]2C=CCCC2)(C(=O)[O-])c2ccccc21 ZINC001594314118 999213629 /nfs/dbraw/zinc/21/36/29/999213629.db2.gz ONCUMFYEMAVZCQ-STXHMFSFSA-N -1 0 327.424 3.726 20 0 EHADRM C[C@H]1CC[C@](NC(=O)c2cc3ccccn3c2)(C(=O)[O-])c2ccccc21 ZINC001594323805 999248112 /nfs/dbraw/zinc/24/81/12/999248112.db2.gz UPSKJHRLCWZEIL-LHSJRXKWSA-N -1 0 348.402 3.547 20 0 EHADRM C[C@@H]1CC[C@H](Nc2cc(I)cc(C(=O)[O-])c2)C1 ZINC001594327498 999258672 /nfs/dbraw/zinc/25/86/72/999258672.db2.gz YOJLYAVSXXJLKR-KCJUWKMLSA-N -1 0 345.180 3.590 20 0 EHADRM C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)c2ccc(/C=C/C(=O)[O-])o2)C1 ZINC001594330714 999271849 /nfs/dbraw/zinc/27/18/49/999271849.db2.gz XDVQYFQUSOZSDN-XDGUNPEDSA-N -1 0 339.391 3.991 20 0 EHADRM C[C@@H]1CCC[C@@H](CNC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)[C@@H]1C ZINC001594347046 999314663 /nfs/dbraw/zinc/31/46/63/999314663.db2.gz VAQNPFGPYZNCTN-CPUCHLNUSA-N -1 0 344.455 3.525 20 0 EHADRM C[C@@H]1CCC[C@H](CNC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)[C@H]1C ZINC001594347047 999315097 /nfs/dbraw/zinc/31/50/97/999315097.db2.gz VAQNPFGPYZNCTN-JKIFEVAISA-N -1 0 344.455 3.525 20 0 EHADRM C[C@H](NC(=O)Cn1cc(C(=O)[O-])c2ccccc21)[C@@H]1CCC[C@@H](C)C1 ZINC001594354746 999339426 /nfs/dbraw/zinc/33/94/26/999339426.db2.gz FVPUOGIUJPMABG-QLFBSQMISA-N -1 0 342.439 3.671 20 0 EHADRM C[C@@H]1CCC[C@H]1CC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001594357950 999353612 /nfs/dbraw/zinc/35/36/12/999353612.db2.gz RPAGXSKFCIHKLH-KMFMINBZSA-N -1 0 329.440 3.747 20 0 EHADRM C[C@H]1CCCN1C(=O)CCSCc1cc(C(=O)[O-])ccc1Cl ZINC001594389639 999476790 /nfs/dbraw/zinc/47/67/90/999476790.db2.gz SRHNIOOOBIARSD-NSHDSACASA-N -1 0 341.860 3.672 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2cccc(C(=O)[O-])n2)[C@H]1c1cccc(F)c1 ZINC001594406104 999520254 /nfs/dbraw/zinc/52/02/54/999520254.db2.gz RVBXZMFTKIBMSO-MEDUHNTESA-N -1 0 343.358 3.534 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccco2)s1)N[C@@H](c1cccs1)C1CC1 ZINC000510174434 1016336256 /nfs/dbraw/zinc/33/62/56/1016336256.db2.gz AARMFQJCSGCDHI-GFCCVEGCSA-N -1 0 346.437 3.554 20 0 EHADRM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001594444788 999635680 /nfs/dbraw/zinc/63/56/80/999635680.db2.gz AJEHXSNHSUANSG-DIFFPNOSSA-N -1 0 342.370 3.969 20 0 EHADRM C[C@H]1CCc2c(sc3ncnc(NCCC(C)(C)C(=O)[O-])c32)C1 ZINC001594446093 999639235 /nfs/dbraw/zinc/63/92/35/999639235.db2.gz XAMVBTRWTGGFAG-JTQLQIEISA-N -1 0 333.457 3.729 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)N[C@@]3(C)CCCC[C@H]3C(=O)[O-])cc2C1 ZINC001594450556 999647837 /nfs/dbraw/zinc/64/78/37/999647837.db2.gz HUVNUWJLEIRROQ-YNKQFZHNSA-N -1 0 335.469 3.636 20 0 EHADRM CC(C)c1ccc(NC(=O)c2cnn3c2C[C@@H](C)CC3)c(C(=O)[O-])c1 ZINC001594452516 999652626 /nfs/dbraw/zinc/65/26/26/999652626.db2.gz SEEVQJIBDOYRBJ-LBPRGKRZSA-N -1 0 341.411 3.539 20 0 EHADRM C[C@@H]1CN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)c2ccccc2S1 ZINC001594466931 999691988 /nfs/dbraw/zinc/69/19/88/999691988.db2.gz UPQQUEAPGDYTQA-MXMFLMJRSA-N -1 0 329.377 3.518 20 0 EHADRM C[C@@H](NC(=O)[C@]1(C(=O)[O-])CC=CCC1)c1cc2ccccc2s1 ZINC000653289539 1016380171 /nfs/dbraw/zinc/38/01/71/1016380171.db2.gz WFPFNXOBEBKXHV-XIKOKIGWSA-N -1 0 329.421 3.890 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCC[C@@H]1c1cccs1)CC(=O)[O-] ZINC000659418210 1016676568 /nfs/dbraw/zinc/67/65/68/1016676568.db2.gz GPCGABUKARKVNG-UONOGXRCSA-N -1 0 338.473 3.732 20 0 EHADRM CCC(C)(C)c1n[n-]c(=N[C@@H](C)c2ccc(Br)cn2)o1 ZINC000641547034 1016912556 /nfs/dbraw/zinc/91/25/56/1016912556.db2.gz YEBHJVZDZJXYDV-VIFPVBQESA-N -1 0 339.237 3.510 20 0 EHADRM CC(C)(C)n1ccnc1SCC(=O)Nc1cccc(Cl)c1[O-] ZINC000340313952 1016928879 /nfs/dbraw/zinc/92/88/79/1016928879.db2.gz DUFCXLVPLLGRSZ-UHFFFAOYSA-N -1 0 339.848 3.728 20 0 EHADRM CC[C@H](C)N(C)C(=O)N=c1[n-]nc(-c2ccc(Cl)cc2F)s1 ZINC000471304512 1016974741 /nfs/dbraw/zinc/97/47/41/1016974741.db2.gz BAXDBHYPWPVOGF-QMMMGPOBSA-N -1 0 342.827 3.682 20 0 EHADRM CC[C@H](c1ccccc1)N(CC)C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000659755437 1016979379 /nfs/dbraw/zinc/97/93/79/1016979379.db2.gz WQPCMBPMWRZQHX-GOSISDBHSA-N -1 0 341.407 3.763 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)c2cc(Cl)cc3ccccc32)C1 ZINC000659762723 1016981399 /nfs/dbraw/zinc/98/13/99/1016981399.db2.gz PYQWWSHKJPKTKB-GFCCVEGCSA-N -1 0 331.799 3.820 20 0 EHADRM C[C@@H](NC(=O)Cc1cccc2ccccc21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655585372 1016983415 /nfs/dbraw/zinc/98/34/15/1016983415.db2.gz WSJIGJWFEIVIEF-JEBQAFNWSA-N -1 0 339.435 3.634 20 0 EHADRM CCN(C(=O)c1ccc(O[C@H](C)c2ccccc2)cc1)[C@H](C)C(=O)[O-] ZINC000659769717 1016984315 /nfs/dbraw/zinc/98/43/15/1016984315.db2.gz KCVGEBSJSYATGR-HUUCEWRRSA-N -1 0 341.407 3.762 20 0 EHADRM CCOc1ccccc1-c1cccc(C(=O)N(CC)[C@@H](C)C(=O)[O-])c1 ZINC000659771325 1016993554 /nfs/dbraw/zinc/99/35/54/1016993554.db2.gz TTWOHSQQOWZVMH-AWEZNQCLSA-N -1 0 341.407 3.688 20 0 EHADRM Cc1ccc(C)c([C@H](C)N(C)C(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000414604414 1016997037 /nfs/dbraw/zinc/99/70/37/1016997037.db2.gz AROIECDHNMXOFN-HNNXBMFYSA-N -1 0 340.423 3.904 20 0 EHADRM C[C@H](NC(=O)N(C)CCCC(=O)[O-])c1ccc(F)c2ccccc21 ZINC000414606876 1017006566 /nfs/dbraw/zinc/00/65/66/1017006566.db2.gz FREVAXBMFIXRQV-LBPRGKRZSA-N -1 0 332.375 3.546 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000414606441 1017007147 /nfs/dbraw/zinc/00/71/47/1017007147.db2.gz DWEINYYUAYZCKN-MRXNPFEDSA-N -1 0 338.835 3.687 20 0 EHADRM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)NCCCCCC(=O)[O-])cc1 ZINC000414617076 1017061828 /nfs/dbraw/zinc/06/18/28/1017061828.db2.gz XWSNPHXIJLYLFG-ROUUACIJSA-N -1 0 346.471 3.918 20 0 EHADRM C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)c2cc3c(cc2O)OCO3)C1 ZINC000436655944 1032173573 /nfs/dbraw/zinc/17/35/73/1032173573.db2.gz HEAAQRQASLWKFH-CJNGLKHVSA-N -1 0 339.391 3.734 20 0 EHADRM CC(C)(C)c1nc(N2CCC(Cc3ccccc3C(=O)[O-])CC2)no1 ZINC000584353807 1032175047 /nfs/dbraw/zinc/17/50/47/1032175047.db2.gz QKCBXBJIAVAHJG-UHFFFAOYSA-N -1 0 343.427 3.524 20 0 EHADRM Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1CCC2(CCCCC2)CC1 ZINC000080616228 1032215232 /nfs/dbraw/zinc/21/52/32/1032215232.db2.gz HWBWKTBBUADTEY-UHFFFAOYSA-N -1 0 345.487 3.562 20 0 EHADRM CSCc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000184032802 1032228144 /nfs/dbraw/zinc/22/81/44/1032228144.db2.gz PWVVZQYAQSCJRN-UHFFFAOYSA-N -1 0 347.383 3.768 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1F ZINC000485007668 1032233466 /nfs/dbraw/zinc/23/34/66/1032233466.db2.gz ZCYLBBVTIPEZEM-UHFFFAOYSA-N -1 0 347.770 3.818 20 0 EHADRM COc1cc(C)c(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)cc1C ZINC000683436940 1017073897 /nfs/dbraw/zinc/07/38/97/1017073897.db2.gz APEXRKUOWNKDNZ-HNNXBMFYSA-N -1 0 327.380 3.509 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(C)cc2)nn1-c1ccc(C)cc1 ZINC000538298007 1032278854 /nfs/dbraw/zinc/27/88/54/1032278854.db2.gz CPOKJGKYOADPOG-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)c2cc3c(cc2O)OCO3)c1 ZINC000436718261 1032292818 /nfs/dbraw/zinc/29/28/18/1032292818.db2.gz ZCIMAZVISGWELN-LLVKDONJSA-N -1 0 329.352 3.551 20 0 EHADRM Cc1ccc(CN=c2[n-]nc(-c3cccc(OC(F)F)c3)o2)cc1F ZINC000461209201 1032320121 /nfs/dbraw/zinc/32/01/21/1032320121.db2.gz BVLWRMIFBVRKMH-UHFFFAOYSA-N -1 0 349.312 3.820 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ncc(Cl)cc2C)cc(C)c1F ZINC000461228575 1032331261 /nfs/dbraw/zinc/33/12/61/1032331261.db2.gz WIIAWFLZGUTYCT-UHFFFAOYSA-N -1 0 328.796 3.600 20 0 EHADRM Cc1ccc(C)c(C(=O)N[C@H](C)COCC2CCCCC2)c1C(=O)[O-] ZINC000905129448 1032356153 /nfs/dbraw/zinc/35/61/53/1032356153.db2.gz GCVBNDMXNFIPKR-OAHLLOKOSA-N -1 0 347.455 3.717 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)N[C@@H](c1ccccn1)C1CC1)C1CCCCC1 ZINC000905131019 1032358696 /nfs/dbraw/zinc/35/86/96/1032358696.db2.gz MDUAERJAIXPTTG-UYAOXDASSA-N -1 0 344.455 3.710 20 0 EHADRM COCCc1nc(=N[C@@H]2C[C@H]3CCC(C)(C)c4cccc2c43)s[n-]1 ZINC000538452508 1032378507 /nfs/dbraw/zinc/37/85/07/1032378507.db2.gz SDWLAFPCGGGLQM-IUODEOHRSA-N -1 0 343.496 3.861 20 0 EHADRM CCCS(=O)(=O)[N-]c1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000538496473 1032400731 /nfs/dbraw/zinc/40/07/31/1032400731.db2.gz LAMGXCBMAVPSOD-CYBMUJFWSA-N -1 0 336.482 3.567 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)cc1 ZINC000461329839 1032402041 /nfs/dbraw/zinc/40/20/41/1032402041.db2.gz FQRJNYGOTWTRNG-UHFFFAOYSA-N -1 0 337.344 3.576 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)/C=C\c2ccccc2Cl)c2ccccc21 ZINC000321207528 1032413402 /nfs/dbraw/zinc/41/34/02/1032413402.db2.gz VZDIMOBTJOLGKJ-CMUBDUJZSA-N -1 0 327.767 3.568 20 0 EHADRM O=c1nc(CN2CCc3cccc(Cl)c3C2)[n-]c2ccsc21 ZINC000459691990 1032418989 /nfs/dbraw/zinc/41/89/89/1032418989.db2.gz VLXBCQONVBYALZ-UHFFFAOYSA-N -1 0 331.828 3.609 20 0 EHADRM CC[C@](CNC(=O)C(C)(C)c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000263061785 1032427485 /nfs/dbraw/zinc/42/74/85/1032427485.db2.gz SDFYDMJNOSAAIA-OAQYLSRUSA-N -1 0 339.435 3.513 20 0 EHADRM O=S(=O)([N-]c1cccc2[nH]ccc21)c1cnc2ccsc2c1 ZINC000084460844 1032430156 /nfs/dbraw/zinc/43/01/56/1032430156.db2.gz GDKQFURNHVXAGA-UHFFFAOYSA-N -1 0 329.406 3.578 20 0 EHADRM C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)NCCCCCC(=O)[O-] ZINC000414638116 1017089903 /nfs/dbraw/zinc/08/99/03/1017089903.db2.gz GPEMFDJXBODQAZ-RDTXWAMCSA-N -1 0 332.444 3.644 20 0 EHADRM O=C([O-])CCCCCNC(=O)N1CC2(CCCC2)c2cccc(F)c21 ZINC000414632754 1017094022 /nfs/dbraw/zinc/09/40/22/1017094022.db2.gz YUHCZCDZFRWWDF-UHFFFAOYSA-N -1 0 348.418 3.812 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2cccc(C)c2Cl)cc1C ZINC000537194279 1032553872 /nfs/dbraw/zinc/55/38/72/1032553872.db2.gz DPPJHQKQKDQBIC-NSHDSACASA-N -1 0 341.864 3.925 20 0 EHADRM Cc1cc(/C=C/c2cc(C(=O)[O-])ncn2)ccc1Oc1cccnc1 ZINC000090072172 1032557871 /nfs/dbraw/zinc/55/78/71/1032557871.db2.gz HBYCECSSLWIGQD-GQCTYLIASA-N -1 0 333.347 3.841 20 0 EHADRM CCCn1ccc2cc(NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])ccc21 ZINC000601990878 1032582798 /nfs/dbraw/zinc/58/27/98/1032582798.db2.gz DXVGDOJZCIUPTG-RYUDHWBXSA-N -1 0 334.441 3.585 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-] ZINC000601987100 1032583650 /nfs/dbraw/zinc/58/36/50/1032583650.db2.gz QSHJOQBUWISAAQ-TUAOUCFPSA-N -1 0 335.425 3.513 20 0 EHADRM Cc1cccc(C)c1[C@@H]1CCCN1C(=O)[C@@H](C)S[C@H](C)C(=O)[O-] ZINC000602008666 1032591491 /nfs/dbraw/zinc/59/14/91/1032591491.db2.gz QKIGEGLPUBEUJX-KFWWJZLASA-N -1 0 335.469 3.562 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N2CCCC[C@H]2C)s1)c1ccccc1 ZINC000592938318 1032622633 /nfs/dbraw/zinc/62/26/33/1032622633.db2.gz UIOMQSXJTYLMGH-UKRRQHHQSA-N -1 0 344.484 3.908 20 0 EHADRM O=C(c1n[n-]c2ccccc2c1=O)N1CCCCC[C@@H]1c1ccccc1 ZINC000172375916 1032628831 /nfs/dbraw/zinc/62/88/31/1032628831.db2.gz MRAKUCHHZDKXJC-GOSISDBHSA-N -1 0 347.418 3.681 20 0 EHADRM CCc1nn(C)cc1NC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000091163950 1032649892 /nfs/dbraw/zinc/64/98/92/1032649892.db2.gz HGGISRWOAYZYMF-UHFFFAOYSA-N -1 0 329.787 3.747 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 ZINC000537370716 1032666344 /nfs/dbraw/zinc/66/63/44/1032666344.db2.gz KJOZPXGHOOCCCB-LBPRGKRZSA-N -1 0 341.835 3.565 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)[C@H](C(=O)[O-])C1 ZINC000128216950 1017138503 /nfs/dbraw/zinc/13/85/03/1017138503.db2.gz MMVFHUGCUJGTSN-UFBFGSQYSA-N -1 0 331.199 3.710 20 0 EHADRM COc1cc(/C=C/C(=O)c2ccc(F)cc2C)cc([N+](=O)[O-])c1[O-] ZINC000066746417 1017179909 /nfs/dbraw/zinc/17/99/09/1017179909.db2.gz FOFIZKXVPGWNCG-ZZXKWVIFSA-N -1 0 331.299 3.653 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)N[C@H](C)CCCCC(=O)[O-])cc1 ZINC000547888977 1017197174 /nfs/dbraw/zinc/19/71/74/1017197174.db2.gz NPEYFKDWVCJUIA-UONOGXRCSA-N -1 0 341.473 3.512 20 0 EHADRM CC(C)(C)c1cnc(CN[C@H](C(=O)[O-])c2cc(F)ccc2F)s1 ZINC000669471440 1032691759 /nfs/dbraw/zinc/69/17/59/1032691759.db2.gz JMFMMZJCZPMFGD-AWEZNQCLSA-N -1 0 340.395 3.634 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCc2c1cccc2C(F)(F)F ZINC000183563897 1017352195 /nfs/dbraw/zinc/35/21/95/1017352195.db2.gz USBAHIVIJGIZKR-UHFFFAOYSA-N -1 0 343.251 3.892 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000471395323 1017354559 /nfs/dbraw/zinc/35/45/59/1017354559.db2.gz ZAAUSBBCLZWOMZ-ZDUSSCGKSA-N -1 0 345.468 3.693 20 0 EHADRM CC(C)c1cnc([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)s1 ZINC000255080397 1017441683 /nfs/dbraw/zinc/44/16/83/1017441683.db2.gz OOVYKTZAEDFQNQ-FPLPWBNLSA-N -1 0 326.418 3.818 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccc(CSC)cc2)s1 ZINC000608955890 1017586896 /nfs/dbraw/zinc/58/68/96/1017586896.db2.gz SSVNNDGXXONXFR-UHFFFAOYSA-N -1 0 327.496 3.974 20 0 EHADRM CC(C)OCc1ccc(C(=O)N[C@@H](CC(=O)[O-])C2CCCCC2)cc1 ZINC000537412929 1032714924 /nfs/dbraw/zinc/71/49/24/1032714924.db2.gz AQBRYGBJYSUGLN-SFHVURJKSA-N -1 0 347.455 3.765 20 0 EHADRM CC(C)(C)OC(=O)C1(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)CC1 ZINC000574092055 1032714738 /nfs/dbraw/zinc/71/47/38/1032714738.db2.gz SOYMQUIKQVNVKX-UHFFFAOYSA-N -1 0 346.210 3.759 20 0 EHADRM C[C@H](CNC(=O)N(C)[C@H](C)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000655884306 1017858405 /nfs/dbraw/zinc/85/84/05/1017858405.db2.gz FPWUPHNYBPJCCB-HUUCEWRRSA-N -1 0 340.423 3.777 20 0 EHADRM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000328434343 1017919367 /nfs/dbraw/zinc/91/93/67/1017919367.db2.gz RWZMEMKZMLQZNO-CFVMTHIKSA-N -1 0 329.396 3.843 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)c2cccnc12)c1cccc(F)c1 ZINC000042676860 1017995510 /nfs/dbraw/zinc/99/55/10/1017995510.db2.gz CYQMWJWBFKQOAS-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM CC(C)(CC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1)C(=O)[O-] ZINC000377572956 1017998274 /nfs/dbraw/zinc/99/82/74/1017998274.db2.gz VKRHFOOUADGWPO-INIZCTEOSA-N -1 0 328.412 3.722 20 0 EHADRM O=[N+]([O-])c1cc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)ccc1[O-] ZINC000038707950 1018054374 /nfs/dbraw/zinc/05/43/74/1018054374.db2.gz GFOZUJLFBNIBON-QPJJXVBHSA-N -1 0 337.291 3.927 20 0 EHADRM CC(C)Oc1ccc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000047368764 1018108961 /nfs/dbraw/zinc/10/89/61/1018108961.db2.gz ZJUYBKKFFLIUFQ-FQEVSTJZSA-N -1 0 341.407 3.845 20 0 EHADRM O=C(c1[n-]cnc1-c1nc([C@@H]2CCC[C@@H]3C[C@@H]32)no1)c1ccccc1 ZINC000656046666 1018350958 /nfs/dbraw/zinc/35/09/58/1018350958.db2.gz ATGGLWJOLJFKAZ-MCIONIFRSA-N -1 0 334.379 3.594 20 0 EHADRM Cc1ccccc1-c1csc(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)n1 ZINC000653297826 1018379127 /nfs/dbraw/zinc/37/91/27/1018379127.db2.gz DZESLGIJZOOPDS-SFHVURJKSA-N -1 0 342.420 3.868 20 0 EHADRM O=c1nc(-c2ccc(Cl)cn2)[n-]c2c(-c3ccccc3)nsc21 ZINC000548030110 1018388896 /nfs/dbraw/zinc/38/88/96/1018388896.db2.gz XDQMUQDVEAFJHZ-UHFFFAOYSA-N -1 0 340.795 3.762 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCc1ccccc1Cl ZINC000013225546 1018442787 /nfs/dbraw/zinc/44/27/87/1018442787.db2.gz SNMOLWAGJHSACB-BPUTZDHNSA-N -1 0 335.831 3.517 20 0 EHADRM Cc1cccc([C@H]2CCCN2c2cc(C(C)(C)C)nc(C(=O)[O-])n2)n1 ZINC000580197083 1018773702 /nfs/dbraw/zinc/77/37/02/1018773702.db2.gz QJLRRMGBRDILBQ-CQSZACIVSA-N -1 0 340.427 3.517 20 0 EHADRM Cc1cc(/C=C/C(=O)c2cccc(O[C@@H](C)C(=O)[O-])c2)cc(C)c1O ZINC000062692754 1032786817 /nfs/dbraw/zinc/78/68/17/1032786817.db2.gz KUJUQVMUOOCQIX-NPQIQWPPSA-N -1 0 340.375 3.757 20 0 EHADRM Cc1nc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)oc1C ZINC000340637576 1019039235 /nfs/dbraw/zinc/03/92/35/1019039235.db2.gz IATFJCYUEAWUNH-UHFFFAOYSA-N -1 0 339.175 3.538 20 0 EHADRM Cc1nc(CC(C)C)c([N-]S(=O)(=O)Cc2ccccc2F)s1 ZINC000340640467 1019054314 /nfs/dbraw/zinc/05/43/14/1019054314.db2.gz DSIBHKALJWBIQB-UHFFFAOYSA-N -1 0 342.461 3.731 20 0 EHADRM O=C([O-])c1ccccc1Nc1ccc(OC[C@H]2CCCO2)c(F)c1 ZINC001210967703 1019148114 /nfs/dbraw/zinc/14/81/14/1019148114.db2.gz SQWIOQJQTPAHBO-CYBMUJFWSA-N -1 0 331.343 3.825 20 0 EHADRM O=C([O-])c1ccccc1Nc1ccc(N2CCSCC2)c(F)c1 ZINC001210969131 1019149257 /nfs/dbraw/zinc/14/92/57/1019149257.db2.gz PYSXXVFEKDJEGO-UHFFFAOYSA-N -1 0 332.400 3.821 20 0 EHADRM CSCc1ccccc1[N-]S(=O)(=O)c1cccc2c1OCCC2 ZINC000593211622 1032815365 /nfs/dbraw/zinc/81/53/65/1032815365.db2.gz ZWTRTYYJRRGEAT-UHFFFAOYSA-N -1 0 349.477 3.675 20 0 EHADRM Cc1ccc(C2(CNC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])CCC2)cc1C ZINC000683922053 1019248386 /nfs/dbraw/zinc/24/83/86/1019248386.db2.gz JYDHHKOEDIVOGZ-ZWKOTPCHSA-N -1 0 341.451 3.508 20 0 EHADRM COc1c(Nc2cccc3c2CC(C)(C)C(=O)N3)cccc1C(=O)[O-] ZINC001211039806 1019257530 /nfs/dbraw/zinc/25/75/30/1019257530.db2.gz MQPHIHVANDZXGO-UHFFFAOYSA-N -1 0 340.379 3.658 20 0 EHADRM CN(C(=O)Nc1cc(F)cc(Cl)c1)C1(C(=O)[O-])CCCCC1 ZINC000319437957 1019328511 /nfs/dbraw/zinc/32/85/11/1019328511.db2.gz GURLKMALAGGNMN-UHFFFAOYSA-N -1 0 328.771 3.730 20 0 EHADRM C[C@@H](Cc1n[n-]c(=NCc2cnc(C(C)(C)C)nc2)o1)CC(C)(C)C ZINC000340687961 1019341726 /nfs/dbraw/zinc/34/17/26/1019341726.db2.gz IFDSIPNNFSZGAI-ZDUSSCGKSA-N -1 0 345.491 3.806 20 0 EHADRM O=C([O-])c1ccnc(-c2cc(F)ccc2OC[C@H]2CCCCO2)c1 ZINC000580451617 1019382163 /nfs/dbraw/zinc/38/21/63/1019382163.db2.gz JMHLLTMCZZQAJX-CQSZACIVSA-N -1 0 331.343 3.534 20 0 EHADRM Cc1csc([C@H](C)NC(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)n1 ZINC000340698008 1019443447 /nfs/dbraw/zinc/44/34/47/1019443447.db2.gz OKWCQOCIHXMSDV-SJCJKPOMSA-N -1 0 338.473 3.690 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(C3CC3)c2)cc1 ZINC000656232582 1019473592 /nfs/dbraw/zinc/47/35/92/1019473592.db2.gz WCBMUUDQALXOSL-SFHVURJKSA-N -1 0 339.391 3.518 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1nc2ccccc2n1C1CCCC1 ZINC000656233517 1019479854 /nfs/dbraw/zinc/47/98/54/1019479854.db2.gz YFTLONRDRZDPQY-GFCCVEGCSA-N -1 0 329.400 3.591 20 0 EHADRM Cc1cccc(Oc2ncccc2NC(=O)[C@H]2CC[C@@H]2C(=O)[O-])c1C ZINC000262215041 1019564686 /nfs/dbraw/zinc/56/46/86/1019564686.db2.gz UAYPXHRTOSKUCL-KBPBESRZSA-N -1 0 340.379 3.540 20 0 EHADRM CSc1cc(C(=O)NC[C@@H](C)CC(=O)[O-])c(Cl)cc1Cl ZINC000262216343 1019565457 /nfs/dbraw/zinc/56/54/57/1019565457.db2.gz YDDPVDDNOWYCLW-ZETCQYMHSA-N -1 0 336.240 3.556 20 0 EHADRM CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000055619406 1019623211 /nfs/dbraw/zinc/62/32/11/1019623211.db2.gz XRRCAXKUZXFRCM-UHFFFAOYSA-N -1 0 327.352 3.553 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)cc1C(=O)[O-] ZINC000262547003 1019661220 /nfs/dbraw/zinc/66/12/20/1019661220.db2.gz WFDQWRGTAQLMSO-AAEUAGOBSA-N -1 0 347.333 3.613 20 0 EHADRM CC(C)(C)C(=O)Nc1ccc(-c2cccc(C3(C(=O)[O-])CC3)c2)cn1 ZINC000580583303 1019684119 /nfs/dbraw/zinc/68/41/19/1019684119.db2.gz TZONTMVHKJYOLY-UHFFFAOYSA-N -1 0 338.407 3.849 20 0 EHADRM CCOc1ccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1Cl ZINC000262704662 1019710186 /nfs/dbraw/zinc/71/01/86/1019710186.db2.gz JCLDXEUPQGVVBR-XYPYZODXSA-N -1 0 325.792 3.568 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)c2cccc(-c3ccoc3)c2)C1 ZINC000262909975 1019766124 /nfs/dbraw/zinc/76/61/24/1019766124.db2.gz IRLSGNDZZQYFGA-IBGZPJMESA-N -1 0 327.380 3.520 20 0 EHADRM CC[C@@H](CC(=O)Nc1cccc(CC(=O)[O-])c1)c1ccc(OC)cc1 ZINC000263230324 1019845750 /nfs/dbraw/zinc/84/57/50/1019845750.db2.gz BKXUJLYDJMNZJH-HNNXBMFYSA-N -1 0 341.407 3.845 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)NCC1CCC(c2ccccc2)CC1)C1CC1 ZINC000580692563 1019860568 /nfs/dbraw/zinc/86/05/68/1019860568.db2.gz PQKVDLPATBJWTH-HPUBIQBYSA-N -1 0 344.455 3.608 20 0 EHADRM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ccc(C(=O)[O-])c(C)n2)o1 ZINC000263321490 1019872624 /nfs/dbraw/zinc/87/26/24/1019872624.db2.gz IZFSYNUHZAALQA-MEDUHNTESA-N -1 0 342.395 3.603 20 0 EHADRM CCC1CCC(N(C(=O)c2ccc(C(=O)[O-])c(C)n2)C2CC2)CC1 ZINC000263334666 1019876760 /nfs/dbraw/zinc/87/67/60/1019876760.db2.gz NBNLJZXFRIMBMZ-UHFFFAOYSA-N -1 0 330.428 3.662 20 0 EHADRM Cc1nc(C(=O)Nc2ccccc2OC(C)(C)C)ccc1C(=O)[O-] ZINC000263367924 1019886515 /nfs/dbraw/zinc/88/65/15/1019886515.db2.gz WTTFUGIERIOIST-UHFFFAOYSA-N -1 0 328.368 3.518 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N[C@H]1CCC[C@@H](C)CC1)C(=O)[O-] ZINC000263525455 1019924633 /nfs/dbraw/zinc/92/46/33/1019924633.db2.gz JNYMVZFPMLLLJD-RDBSUJKOSA-N -1 0 335.469 3.950 20 0 EHADRM CSCc1cccc(-c2cccc(C3(C(=O)[O-])CC(=O)C3)c2)c1 ZINC000580844001 1020136090 /nfs/dbraw/zinc/13/60/90/1020136090.db2.gz JVLMNDJRXBIYCL-UHFFFAOYSA-N -1 0 326.417 3.902 20 0 EHADRM Clc1ccc([C@@H]2CC[C@@H](N=c3[n-]c(C4CCOCC4)no3)C2)cc1 ZINC000574257511 1032886748 /nfs/dbraw/zinc/88/67/48/1032886748.db2.gz MEUBSALMXKSVRP-GDBMZVCRSA-N -1 0 347.846 3.787 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1ccc(C(F)(F)F)cn1 ZINC000345578281 1020371524 /nfs/dbraw/zinc/37/15/24/1020371524.db2.gz CGNGWKOYMGJLOU-UHFFFAOYSA-N -1 0 334.656 3.851 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1ccn(-c2ccc(F)cc2)n1 ZINC000345613822 1020388096 /nfs/dbraw/zinc/38/80/96/1020388096.db2.gz VWKNISKNCFWTCU-UHFFFAOYSA-N -1 0 349.724 3.762 20 0 EHADRM CCOc1ncc(C(=O)Nc2cc(Cl)c([O-])cc2F)cc1Cl ZINC000345704294 1020445998 /nfs/dbraw/zinc/44/59/98/1020445998.db2.gz ZIAPNFRUOAEFNG-UHFFFAOYSA-N -1 0 345.157 3.884 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000325861117 1032903260 /nfs/dbraw/zinc/90/32/60/1032903260.db2.gz IKPQRVYMEVGPDZ-UHFFFAOYSA-N -1 0 337.297 3.975 20 0 EHADRM CN(C(=O)c1cc(Cl)c2ccccc2c1[O-])[C@H]1CC[C@H](O)CC1 ZINC000276032606 1020476398 /nfs/dbraw/zinc/47/63/98/1020476398.db2.gz ZNQWOEBPDNRMER-HAQNSBGRSA-N -1 0 333.815 3.574 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cc1csc2ccccc12 ZINC000345771159 1020500782 /nfs/dbraw/zinc/50/07/82/1020500782.db2.gz FRVXXVWDMSIZAJ-RCBQFDQVSA-N -1 0 343.448 3.688 20 0 EHADRM O=C([O-])c1cccc(C(=O)N(CCc2ccccc2)c2ccccc2)n1 ZINC000345808628 1020518269 /nfs/dbraw/zinc/51/82/69/1020518269.db2.gz QQQKUAJZJAIAKH-UHFFFAOYSA-N -1 0 346.386 3.669 20 0 EHADRM CCCCCC(=O)N[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000345836220 1020566731 /nfs/dbraw/zinc/56/67/31/1020566731.db2.gz YTPBWAUWUCBDAZ-ZDUSSCGKSA-N -1 0 332.227 3.686 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CCCC1 ZINC000581372779 1020755372 /nfs/dbraw/zinc/75/53/72/1020755372.db2.gz YBDAEGBRFDJOJG-UHFFFAOYSA-N -1 0 333.718 3.525 20 0 EHADRM Cc1ccccc1S([O-])=CC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000108088208 1020780126 /nfs/dbraw/zinc/78/01/26/1020780126.db2.gz JGAHEYCJYPNQGI-XXBNENTESA-N -1 0 329.465 3.616 20 0 EHADRM CC12CC(C(=O)[O-])(C1)N(C(=O)N(c1ccccc1)c1ccccc1)C2 ZINC000656522570 1020814288 /nfs/dbraw/zinc/81/42/88/1020814288.db2.gz GIHJNVJSDFYIQF-UHFFFAOYSA-N -1 0 336.391 3.884 20 0 EHADRM C[C@H](CCC(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1)c1ccccc1 ZINC000160923262 1021024441 /nfs/dbraw/zinc/02/44/41/1021024441.db2.gz DCRQZIKSFLMDIJ-CVEARBPZSA-N -1 0 345.464 3.778 20 0 EHADRM CCS[C@H](C)c1noc(CN(CC)c2cccc(C(=O)[O-])c2)n1 ZINC000581559899 1021088278 /nfs/dbraw/zinc/08/82/78/1021088278.db2.gz PCNMXWVDOLFJDG-LLVKDONJSA-N -1 0 335.429 3.608 20 0 EHADRM O=S(=O)([N-]Cc1ccc(C2CCC2)cc1)c1c(F)cccc1F ZINC001211515795 1021103800 /nfs/dbraw/zinc/10/38/00/1021103800.db2.gz QGEDYXPPHASGGG-UHFFFAOYSA-N -1 0 337.391 3.711 20 0 EHADRM C[C@H](NC(=O)c1ccc([O-])c(Cl)c1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000439142130 1021177957 /nfs/dbraw/zinc/17/79/57/1021177957.db2.gz PYUSJBDMGZCCAZ-VGTOOOLASA-N -1 0 331.799 3.729 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])[C@@H]1CCCN1c1ccccc1 ZINC000427213319 1021237827 /nfs/dbraw/zinc/23/78/27/1021237827.db2.gz QSSUYFFSKOEELC-HNNXBMFYSA-N -1 0 334.778 3.792 20 0 EHADRM COc1nc(C(=O)Nc2cccc(Cl)c2[O-])cc2ccccc21 ZINC000436800713 1021247032 /nfs/dbraw/zinc/24/70/32/1021247032.db2.gz MWJFQOFWGLCWBX-UHFFFAOYSA-N -1 0 328.755 3.855 20 0 EHADRM Cn1ncc(NC(=O)c2ccc([O-])c(Cl)c2)c1-c1ccccc1 ZINC000436803581 1021249171 /nfs/dbraw/zinc/24/91/71/1021249171.db2.gz KWHSLNYDHIBTQH-UHFFFAOYSA-N -1 0 327.771 3.698 20 0 EHADRM O=S(=O)([N-]CCCC(F)(F)F)c1cc(Cl)sc1Cl ZINC000439232921 1021252121 /nfs/dbraw/zinc/25/21/21/1021252121.db2.gz XSFTWJPQYGUHFN-UHFFFAOYSA-N -1 0 342.191 3.676 20 0 EHADRM Cc1cccc(C(=O)Nc2cc(Cl)cc(Br)c2[O-])n1 ZINC000436811851 1021256137 /nfs/dbraw/zinc/25/61/37/1021256137.db2.gz KZNCKZRMPDFSJC-UHFFFAOYSA-N -1 0 341.592 3.764 20 0 EHADRM O=C([O-])[C@H]1CC[C@@H]1C(=O)Nc1c(F)cccc1Oc1ccccc1 ZINC000507424154 1021258098 /nfs/dbraw/zinc/25/80/98/1021258098.db2.gz NVJMXPJKMLYKLF-STQMWFEESA-N -1 0 329.327 3.667 20 0 EHADRM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cc(F)c([O-])c(F)c3)C2)cc1 ZINC000436830106 1021262338 /nfs/dbraw/zinc/26/23/38/1021262338.db2.gz UPBQFBHJTYKKJO-DOMZBBRYSA-N -1 0 331.362 3.997 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CCNc2ccccc2C)c1 ZINC000436831288 1021262454 /nfs/dbraw/zinc/26/24/54/1021262454.db2.gz FJKDFYVNIWEOCW-UHFFFAOYSA-N -1 0 326.396 3.734 20 0 EHADRM O=C(CCOc1ccc(F)c(Cl)c1)Nc1ccc(F)c(F)c1[O-] ZINC001625987743 1032964099 /nfs/dbraw/zinc/96/40/99/1032964099.db2.gz ARWOWFWBJPBWKS-UHFFFAOYSA-N -1 0 345.704 3.871 20 0 EHADRM Cc1cc(S(=O)(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)sc1Cl ZINC000473857714 1021291817 /nfs/dbraw/zinc/29/18/17/1021291817.db2.gz ZBJQBLVDNHLXAU-NEPJUHHUSA-N -1 0 345.848 3.683 20 0 EHADRM CN(Cc1cccs1)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000436850186 1021293563 /nfs/dbraw/zinc/29/35/63/1021293563.db2.gz ZJCWSZRNOPDTSX-UHFFFAOYSA-N -1 0 344.205 3.628 20 0 EHADRM C[C@@H]1CCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C[C@H](C)O1 ZINC000656765424 1021298115 /nfs/dbraw/zinc/29/81/15/1021298115.db2.gz LUNUQQVLJDRGFD-ISTVAULSSA-N -1 0 332.227 3.618 20 0 EHADRM CC(C)(C)c1nc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)cs1 ZINC000656767020 1021299208 /nfs/dbraw/zinc/29/92/08/1021299208.db2.gz UITFSJXFBDANMG-KKUMJFAQSA-N -1 0 336.501 3.906 20 0 EHADRM C[C@@H]1C[C@H](C)CCN(C(=O)c2cc(F)cc(Br)c2[O-])C1 ZINC000436862755 1021299874 /nfs/dbraw/zinc/29/98/74/1021299874.db2.gz IBXATZNYAISVKO-NXEZZACHSA-N -1 0 344.224 3.802 20 0 EHADRM O=C([O-])c1ccc2oc(/C=C/c3cnn(-c4ccccc4)c3)nc2c1 ZINC000439270775 1021306041 /nfs/dbraw/zinc/30/60/41/1021306041.db2.gz IELBZPJURKFMKM-RMKNXTFCSA-N -1 0 331.331 3.882 20 0 EHADRM O=C(c1cccc(Br)c1[O-])N1CCC[C@@H]1c1cccnc1 ZINC000518572529 1021328977 /nfs/dbraw/zinc/32/89/77/1021328977.db2.gz UPBKFDUPXORPTJ-CQSZACIVSA-N -1 0 347.212 3.527 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N3CCC[C@H](CCF)C3)c12 ZINC000656783977 1021337391 /nfs/dbraw/zinc/33/73/91/1021337391.db2.gz PGJRTVPQQVWKGU-LLVKDONJSA-N -1 0 337.420 3.582 20 0 EHADRM Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000436913720 1021370969 /nfs/dbraw/zinc/37/09/69/1021370969.db2.gz WQQGQQVDNCJPGN-UHFFFAOYSA-N -1 0 327.771 3.996 20 0 EHADRM [O-]c1cc(Cl)ccc1-c1nc(-c2ccc(N3CCCC3)cn2)no1 ZINC000436927744 1021390362 /nfs/dbraw/zinc/39/03/62/1021390362.db2.gz OXAJWNHTKMBALL-UHFFFAOYSA-N -1 0 342.786 3.758 20 0 EHADRM Cn1cnc2cc(-c3noc(-c4cc(Cl)ccc4[O-])n3)ccc21 ZINC000436933909 1021396360 /nfs/dbraw/zinc/39/63/60/1021396360.db2.gz VXTSZTMHZSPSFX-UHFFFAOYSA-N -1 0 326.743 3.649 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCC(Cc2cccc(F)c2)CC1 ZINC000436942280 1021403564 /nfs/dbraw/zinc/40/35/64/1021403564.db2.gz GIIWHSRLRHADJC-UHFFFAOYSA-N -1 0 331.362 3.765 20 0 EHADRM COc1c(CNC(=O)c2ccc([O-])c(Cl)c2)oc2ccccc21 ZINC000436982602 1021438916 /nfs/dbraw/zinc/43/89/16/1021438916.db2.gz VIXCPMXKZQIYBX-UHFFFAOYSA-N -1 0 331.755 3.730 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CC=C(c2c(F)cccc2F)CC1 ZINC000436992440 1021447141 /nfs/dbraw/zinc/44/71/41/1021447141.db2.gz YNVBOCWQAYRFCJ-UHFFFAOYSA-N -1 0 333.309 3.739 20 0 EHADRM CCc1nc(C)c(NC(=O)c2cc(Cl)c(O)c(OC)c2)s1 ZINC000437004808 1021460867 /nfs/dbraw/zinc/46/08/67/1021460867.db2.gz XFXPVSZNDZXVOY-UHFFFAOYSA-N -1 0 326.805 3.634 20 0 EHADRM CN(C(=O)c1cc(F)cc(Br)c1[O-])C1CCCCC1 ZINC000437006373 1021463027 /nfs/dbraw/zinc/46/30/27/1021463027.db2.gz XLWSPRFRPDAHGN-UHFFFAOYSA-N -1 0 330.197 3.699 20 0 EHADRM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(CNc2ccccc2)cc1 ZINC000516467622 1021472418 /nfs/dbraw/zinc/47/24/18/1021472418.db2.gz PWLOQUXSCYLPDR-SJORKVTESA-N -1 0 338.407 3.594 20 0 EHADRM CC[C@H](C(=O)NNC(=O)c1oc2ccccc2c1C)c1ccccc1 ZINC000028665072 1021500790 /nfs/dbraw/zinc/50/07/90/1021500790.db2.gz LVFVGWNLDDRSJO-HNNXBMFYSA-N -1 0 336.391 3.696 20 0 EHADRM O=S(=O)([N-]c1ccccc1OCC1CC1)c1ccccc1Cl ZINC000607102972 1032984981 /nfs/dbraw/zinc/98/49/81/1032984981.db2.gz NNFDHHVASMVFAY-UHFFFAOYSA-N -1 0 337.828 3.930 20 0 EHADRM CCc1cc2c(ncnc2N[C@H](C)c2ncc(C(=O)[O-])s2)s1 ZINC000518776447 1021534241 /nfs/dbraw/zinc/53/42/41/1021534241.db2.gz BXXVLJRBQVZZCG-SSDOTTSWSA-N -1 0 334.426 3.582 20 0 EHADRM CCCc1nc(=NC(=O)c2occc2-c2ccc(F)cc2)s[n-]1 ZINC000439561337 1021558184 /nfs/dbraw/zinc/55/81/84/1021558184.db2.gz NLUPPOKTUSCDGH-UHFFFAOYSA-N -1 0 331.372 3.564 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2cnc3ccsc3c2)cc1 ZINC000439579638 1021564102 /nfs/dbraw/zinc/56/41/02/1021564102.db2.gz ZEQQGJLYSHOMEJ-UHFFFAOYSA-N -1 0 336.463 3.819 20 0 EHADRM O=C(Cc1ccccc1Cl)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000048616525 1021572113 /nfs/dbraw/zinc/57/21/13/1021572113.db2.gz RYKVOHGHEMFWPV-UHFFFAOYSA-N -1 0 345.754 3.506 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1nc2c(s1)CCCCCC2 ZINC000437389513 1021777651 /nfs/dbraw/zinc/77/76/51/1021777651.db2.gz ITASFVPKXFJTEN-UHFFFAOYSA-N -1 0 342.511 3.973 20 0 EHADRM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1cc(F)c(F)c([O-])c1F ZINC000437379898 1021785443 /nfs/dbraw/zinc/78/54/43/1021785443.db2.gz KAJLMNODZPSIFZ-JOYOIKCWSA-N -1 0 341.716 3.749 20 0 EHADRM Cc1ccc(C[C@@H](C)C(=O)N[C@H](CC(=O)[O-])C2CCCCC2)cc1 ZINC000439902664 1021801156 /nfs/dbraw/zinc/80/11/56/1021801156.db2.gz NGSWXEFFZCQFHJ-CRAIPNDOSA-N -1 0 331.456 3.713 20 0 EHADRM Cc1cc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])ccc1Cl ZINC000439924703 1021831545 /nfs/dbraw/zinc/83/15/45/1021831545.db2.gz UHJTXFBEFWWXGT-LRDDRELGSA-N -1 0 331.799 3.840 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)c(F)c1 ZINC000519150847 1021897646 /nfs/dbraw/zinc/89/76/46/1021897646.db2.gz RKQSNOWSZUCJJT-AWEZNQCLSA-N -1 0 347.333 3.716 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)c2ccc3ccc(Cl)cc3n2)s[n-]1 ZINC000437559355 1021941521 /nfs/dbraw/zinc/94/15/21/1021941521.db2.gz OSUDKFZWQJZIQO-UHFFFAOYSA-N -1 0 346.843 3.711 20 0 EHADRM O=S(=O)([N-]c1cccc(OCCc2ccccc2)c1)c1ccco1 ZINC000437675350 1022048078 /nfs/dbraw/zinc/04/80/78/1022048078.db2.gz QQRGUAOYJGMGAI-UHFFFAOYSA-N -1 0 343.404 3.702 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N2CCCCC[C@@H]2CC(C)C)s1 ZINC000607193566 1033027033 /nfs/dbraw/zinc/02/70/33/1033027033.db2.gz BNZYRWJIGPTCAX-GFCCVEGCSA-N -1 0 342.534 3.895 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2nccc3c(Br)cccc32)C1 ZINC000399061764 1022120732 /nfs/dbraw/zinc/12/07/32/1022120732.db2.gz JEYLRFKSQPFGFF-MNOVXSKESA-N -1 0 349.228 3.544 20 0 EHADRM O=C(N=c1nc(-c2ccccc2Cl)[n-]s1)N1CCCC12CCC2 ZINC000517214852 1022125281 /nfs/dbraw/zinc/12/52/81/1022125281.db2.gz DBUUMNXEIGQVQH-UHFFFAOYSA-N -1 0 348.859 3.831 20 0 EHADRM Cc1ccc(NC(=O)N(CC(=O)[O-])Cc2ccc(F)c(F)c2)cc1C ZINC000574353330 1033030509 /nfs/dbraw/zinc/03/05/09/1033030509.db2.gz OIHQMYSLLREZSV-UHFFFAOYSA-N -1 0 348.349 3.700 20 0 EHADRM O=C(C[C@H]1CSc2ccccc2O1)Nc1ccc(F)c(F)c1[O-] ZINC001625991725 1033032257 /nfs/dbraw/zinc/03/22/57/1033032257.db2.gz GJNMVJLBJJRSMD-VIFPVBQESA-N -1 0 337.347 3.552 20 0 EHADRM CCc1nc(CNCc2c(Cl)cccc2Cl)ccc1C(=O)[O-] ZINC000426652946 1022158271 /nfs/dbraw/zinc/15/82/71/1022158271.db2.gz XVOCYXKVJQSENB-UHFFFAOYSA-N -1 0 339.222 3.939 20 0 EHADRM COc1ccccc1Oc1ccc(NC(=O)[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000520408376 1022211549 /nfs/dbraw/zinc/21/15/49/1022211549.db2.gz HMDHEXVUIMAGTD-KRWDZBQOSA-N -1 0 343.379 3.783 20 0 EHADRM C[C@H](NC(=O)N=c1nc(C(C)(C)C)[n-]s1)[C@@H](C)c1ccccc1 ZINC000473622143 1022265729 /nfs/dbraw/zinc/26/57/29/1022265729.db2.gz UBUZDSHNSSAZJO-NEPJUHHUSA-N -1 0 332.473 3.571 20 0 EHADRM CC(C)[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c2ccccc21 ZINC000517376610 1022293854 /nfs/dbraw/zinc/29/38/54/1022293854.db2.gz CKKKTERYPBEAEE-DTTOXWODSA-N -1 0 329.440 3.878 20 0 EHADRM CCc1c([N-]S(=O)(=O)c2ccc(C)s2)cnn1-c1ccccc1 ZINC000341567583 1022341821 /nfs/dbraw/zinc/34/18/21/1022341821.db2.gz ZQIZRHHXLIPOIK-UHFFFAOYSA-N -1 0 347.465 3.605 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)NC[C@H]1CC=CCC1 ZINC000581922104 1022398091 /nfs/dbraw/zinc/39/80/91/1022398091.db2.gz JWFUTRMKFHKCDZ-DOTOQJQBSA-N -1 0 330.428 3.590 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21)C1CC1 ZINC000581921716 1022405517 /nfs/dbraw/zinc/40/55/17/1022405517.db2.gz SIBSUEBDPJOYGZ-LSDHHAIUSA-N -1 0 348.443 3.639 20 0 EHADRM C[C@@H]1C[C@H](C)CN1C(=O)N=c1[n-]nc(SCc2ccccc2)s1 ZINC000607194537 1033051261 /nfs/dbraw/zinc/05/12/61/1033051261.db2.gz WYNVILIWOWQKSG-NWDGAFQWSA-N -1 0 348.497 3.515 20 0 EHADRM C[C@@H](NC(=O)C1(C(=O)[O-])CCCC1)c1nc(-c2ccccc2)cs1 ZINC000517571281 1022465855 /nfs/dbraw/zinc/46/58/55/1022465855.db2.gz OGLZWTVPMSKPLV-GFCCVEGCSA-N -1 0 344.436 3.632 20 0 EHADRM COc1ccc(C(=O)[O-])cc1NCc1ccc(Br)s1 ZINC000111311178 1022477315 /nfs/dbraw/zinc/47/73/15/1022477315.db2.gz LKNNSBWUUZPUPV-UHFFFAOYSA-N -1 0 342.214 3.830 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2ncsc2-c2ccccc2)c1 ZINC000438256390 1022507306 /nfs/dbraw/zinc/50/73/06/1022507306.db2.gz PNUAOCLWTFLAHP-UHFFFAOYSA-N -1 0 338.388 3.971 20 0 EHADRM C[C@@H](CCc1ccccc1)Sc1n[n-]c(=NC[C@@H]2CCCO2)s1 ZINC000614513563 1022515083 /nfs/dbraw/zinc/51/50/83/1022515083.db2.gz SWJGRQZDDKPPJO-ZFWWWQNUSA-N -1 0 349.525 3.664 20 0 EHADRM Cc1[nH]c2ccccc2c1CC(=O)N[C@H](CC(=O)[O-])C1CCCCC1 ZINC000346008253 1022533026 /nfs/dbraw/zinc/53/30/26/1022533026.db2.gz WMFZLXAVRNCETQ-GOSISDBHSA-N -1 0 342.439 3.559 20 0 EHADRM O=C([O-])CC1(CC(=O)NC[C@H]2CCCCC2(F)F)CCCCC1 ZINC000389753200 1033064483 /nfs/dbraw/zinc/06/44/83/1033064483.db2.gz VYAPDKBNXSVJKV-CYBMUJFWSA-N -1 0 331.403 3.743 20 0 EHADRM COc1ccccc1CO[N-]C(=O)[C@@H](c1ccncc1)C1CCCC1 ZINC000897657340 1033064493 /nfs/dbraw/zinc/06/44/93/1033064493.db2.gz PLTUSEUSSNYQFR-LJQANCHMSA-N -1 0 340.423 3.612 20 0 EHADRM CCc1nc(Cl)c(Nc2cc(OC)cc(C(=O)[O-])c2)c(Cl)n1 ZINC001213586937 1022565328 /nfs/dbraw/zinc/56/53/28/1022565328.db2.gz VMRPVUODCDPOJL-UHFFFAOYSA-N -1 0 342.182 3.796 20 0 EHADRM CC[C@@H]1CC[C@@H](C(=O)Nc2cc(Cl)cc(Br)c2[O-])O1 ZINC000330498115 1022596368 /nfs/dbraw/zinc/59/63/68/1022596368.db2.gz ZTNQXBNFKAXPPR-KCJUWKMLSA-N -1 0 348.624 3.704 20 0 EHADRM O=C([O-])c1ccc2nc(/C=C/c3ccc(-n4cncn4)cc3)ccc2c1 ZINC000164361666 1022631091 /nfs/dbraw/zinc/63/10/91/1022631091.db2.gz OUJREPRJHHGWFI-LZCJLJQNSA-N -1 0 342.358 3.684 20 0 EHADRM CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3ccsc3)ccc2[nH]1 ZINC000506852421 1022634431 /nfs/dbraw/zinc/63/44/31/1022634431.db2.gz WQPYVJFVPZHUJQ-UHFFFAOYSA-N -1 0 335.454 3.723 20 0 EHADRM COc1cc(Cl)c(NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1C ZINC000426015948 1022676542 /nfs/dbraw/zinc/67/65/42/1022676542.db2.gz VWZXAKXUAVPLHB-UHFFFAOYSA-N -1 0 342.782 3.751 20 0 EHADRM O=C(CC1CCCC1)[N-]S(=O)(=O)c1ccccc1Br ZINC000048519614 1022871122 /nfs/dbraw/zinc/87/11/22/1022871122.db2.gz GKJLYIXMHBAMGM-UHFFFAOYSA-N -1 0 346.246 3.675 20 0 EHADRM CCc1nc(=N[C@@H](C)c2ccc(Br)cc2F)s[n-]1 ZINC000558599029 1022900075 /nfs/dbraw/zinc/90/00/75/1022900075.db2.gz LKVGOFRFTHKUSF-ZETCQYMHSA-N -1 0 330.226 3.597 20 0 EHADRM CCCCN(C(=O)N=c1nc(-c2sccc2C)[n-]s1)C1CC1 ZINC000473831849 1022911337 /nfs/dbraw/zinc/91/13/37/1022911337.db2.gz UVVBJJBDWHJUDY-UHFFFAOYSA-N -1 0 336.486 3.793 20 0 EHADRM CCOc1cc(-c2noc([C@H]3CC[C@H](OC)C3)n2)cc(Cl)c1O ZINC000664846591 1022919197 /nfs/dbraw/zinc/91/91/97/1022919197.db2.gz RGNCRARTTLZYGM-ONGXEEELSA-N -1 0 338.791 3.777 20 0 EHADRM CCCc1nc(=NC(=O)N2C[C@H](C)CC[C@H]2c2ccccc2)s[n-]1 ZINC000518011971 1022927994 /nfs/dbraw/zinc/92/79/94/1022927994.db2.gz UAPPIXCQOCERJQ-HIFRSBDPSA-N -1 0 344.484 3.918 20 0 EHADRM Cc1nc(-c2ccccc2)sc1C(=O)Nc1nc(C)ccc1O ZINC000345988133 1022933009 /nfs/dbraw/zinc/93/30/09/1022933009.db2.gz OTDCHFWMFLLWDP-UHFFFAOYSA-N -1 0 325.393 3.780 20 0 EHADRM CC(C)[C@@H](CC1CCCCC1)C(=O)N=c1cc([C@@H]2CCCO2)[nH][nH]1 ZINC000473846996 1022952696 /nfs/dbraw/zinc/95/26/96/1022952696.db2.gz LAHNIDGXZIPWFJ-WBVHZDCISA-N -1 0 333.476 3.864 20 0 EHADRM COc1ccc2nc(CN[C@H](C(=O)[O-])c3ccc(C)cc3)sc2c1 ZINC000426685336 1022963166 /nfs/dbraw/zinc/96/31/66/1022963166.db2.gz HCRBHELIAXMJFF-KRWDZBQOSA-N -1 0 342.420 3.529 20 0 EHADRM Cc1ccc(C(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)c(O)c1 ZINC000518084320 1022990754 /nfs/dbraw/zinc/99/07/54/1022990754.db2.gz DZRLMDOWJJCMAZ-HUUCEWRRSA-N -1 0 346.224 3.749 20 0 EHADRM Cc1cc(CN[C@H](C(=O)[O-])c2c(F)cccc2F)cc2cccnc12 ZINC000426742450 1023012838 /nfs/dbraw/zinc/01/28/38/1023012838.db2.gz JYTLDBQQGCWDND-SFHVURJKSA-N -1 0 342.345 3.737 20 0 EHADRM O=C([O-])[C@@H](NCc1cc2cc(F)ccc2o1)c1c(F)cccc1F ZINC000426746929 1023018498 /nfs/dbraw/zinc/01/84/98/1023018498.db2.gz LOOPIDYWPSAOFM-INIZCTEOSA-N -1 0 335.281 3.766 20 0 EHADRM Cc1cc(CN[C@H](C(=O)[O-])c2cccs2)sc1Br ZINC000426778933 1023038133 /nfs/dbraw/zinc/03/81/33/1023038133.db2.gz BYBDYAOBKCKABL-JTQLQIEISA-N -1 0 346.271 3.796 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000262099021 1023045528 /nfs/dbraw/zinc/04/55/28/1023045528.db2.gz DFYQZQBBLCJOBQ-GOSISDBHSA-N -1 0 341.382 3.820 20 0 EHADRM O=C([O-])[C@H](NCc1cc(Br)ccc1F)c1cccs1 ZINC000426786392 1023048816 /nfs/dbraw/zinc/04/88/16/1023048816.db2.gz VFEOGPQCVNBVRT-GFCCVEGCSA-N -1 0 344.205 3.565 20 0 EHADRM COc1ccc2oc(CN[C@H](CC(=O)[O-])c3ccc(C)o3)cc2c1 ZINC000426801391 1023056028 /nfs/dbraw/zinc/05/60/28/1023056028.db2.gz UJBTWBVMFAZZSW-OAHLLOKOSA-N -1 0 329.352 3.648 20 0 EHADRM O=C([O-])C[C@H](NCc1cc(F)c(F)c(F)c1)c1ccc(F)cc1F ZINC000426829913 1023059603 /nfs/dbraw/zinc/05/96/03/1023059603.db2.gz SWNMISRGXTZZSJ-AWEZNQCLSA-N -1 0 345.267 3.688 20 0 EHADRM CCCCOc1ccc(CN[C@@H](C(=O)[O-])c2cccs2)cc1OC ZINC000426808599 1023060156 /nfs/dbraw/zinc/06/01/56/1023060156.db2.gz ABZIRINOAKFNOB-QGZVFWFLSA-N -1 0 349.452 3.851 20 0 EHADRM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccnn2C2CCCC2)cc1 ZINC000091016494 1023065471 /nfs/dbraw/zinc/06/54/71/1023065471.db2.gz QSDUSTYFCIOXDV-UHFFFAOYSA-N -1 0 349.456 3.586 20 0 EHADRM CCCSC[C@@H](NCc1ccc(-c2ccccc2F)o1)C(=O)[O-] ZINC000426817874 1023065529 /nfs/dbraw/zinc/06/55/29/1023065529.db2.gz CSYYQMQJVNZIJC-OAHLLOKOSA-N -1 0 337.416 3.772 20 0 EHADRM CCc1ccc([C@@H](NCc2ccc(Br)o2)C(=O)[O-])cc1 ZINC000426827850 1023071159 /nfs/dbraw/zinc/07/11/59/1023071159.db2.gz TYVTUVHBIGQJGQ-CQSZACIVSA-N -1 0 338.201 3.520 20 0 EHADRM CCCSC[C@H](NCc1ccc(-c2ccc(C)cc2)o1)C(=O)[O-] ZINC000426827658 1023072966 /nfs/dbraw/zinc/07/29/66/1023072966.db2.gz IVZVAYSUFZHXOR-INIZCTEOSA-N -1 0 333.453 3.941 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cnc3ccccc3c2)cc1F ZINC000430983351 1023086323 /nfs/dbraw/zinc/08/63/23/1023086323.db2.gz DEYNUNJUUYYUCV-UHFFFAOYSA-N -1 0 346.383 3.573 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(C)cc3cccnc32)c(C)c1 ZINC000507022470 1023090708 /nfs/dbraw/zinc/09/07/08/1023090708.db2.gz RVQSUYFKZCWDRL-UHFFFAOYSA-N -1 0 326.421 3.961 20 0 EHADRM CCCCN(C(=O)c1nn(-c2ccccc2CC)cc1[O-])C1CC1 ZINC000438900298 1023131533 /nfs/dbraw/zinc/13/15/33/1023131533.db2.gz WLRZZKCKSARXKJ-UHFFFAOYSA-N -1 0 327.428 3.545 20 0 EHADRM Cn1cc(CC(=O)Nc2cc(F)cc(Cl)c2[O-])c2ccccc21 ZINC000548434741 1023161683 /nfs/dbraw/zinc/16/16/83/1023161683.db2.gz RBPNPUYJPBYNMO-UHFFFAOYSA-N -1 0 332.762 3.858 20 0 EHADRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1nc(C(C)(C)C)co1 ZINC000518285720 1023193846 /nfs/dbraw/zinc/19/38/46/1023193846.db2.gz DBHDTOBLAXLRLV-UHFFFAOYSA-N -1 0 345.424 3.630 20 0 EHADRM CCc1ccc(C(=O)N2C[C@@H](C)O[C@@H](c3ccccc3)C2)c(O)c1 ZINC000190360773 1023195179 /nfs/dbraw/zinc/19/51/79/1023195179.db2.gz BGZLBXKUQMFQET-AUUYWEPGSA-N -1 0 325.408 3.557 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cn2)s1 ZINC000439000221 1023212056 /nfs/dbraw/zinc/21/20/56/1023212056.db2.gz KQLRHLHFADEAKW-UHFFFAOYSA-N -1 0 330.862 3.895 20 0 EHADRM CCn1nccc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1C(C)C ZINC000471924540 1023221005 /nfs/dbraw/zinc/22/10/05/1023221005.db2.gz VIRQHLKXZYLBTA-UHFFFAOYSA-N -1 0 335.473 3.951 20 0 EHADRM O=C(NCCSCC(F)(F)F)c1ccc2ccccc2c1O ZINC000439063211 1023238199 /nfs/dbraw/zinc/23/81/99/1023238199.db2.gz ZUXJPUYURKFQNA-UHFFFAOYSA-N -1 0 329.343 3.571 20 0 EHADRM CSc1ccccc1C(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000507309745 1023238698 /nfs/dbraw/zinc/23/86/98/1023238698.db2.gz FDEJIFWXBRRFDY-CQSZACIVSA-N -1 0 343.448 3.772 20 0 EHADRM COc1cccc(-c2nc(=NC(=O)[C@@H](C)CC3CCCC3)s[n-]2)c1 ZINC000510876263 1023337883 /nfs/dbraw/zinc/33/78/83/1023337883.db2.gz FTFXQEBXZKBNPW-LBPRGKRZSA-N -1 0 345.468 3.791 20 0 EHADRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000471937048 1023345568 /nfs/dbraw/zinc/34/55/68/1023345568.db2.gz NYSDNDWOTHVFJT-UHFFFAOYSA-N -1 0 348.399 3.815 20 0 EHADRM CCC(CC)c1cc(C(=O)N=c2[n-]nc(-c3ccccc3)s2)on1 ZINC000607449541 1033131253 /nfs/dbraw/zinc/13/12/53/1033131253.db2.gz PASKJHNKZLYSHX-UHFFFAOYSA-N -1 0 342.424 3.771 20 0 EHADRM COc1cc(NC(=O)CC2(CC(=O)[O-])CCCCC2)cc(OC)c1C ZINC000431184843 1023434607 /nfs/dbraw/zinc/43/46/07/1023434607.db2.gz WOVPKPJMGQRPJG-UHFFFAOYSA-N -1 0 349.427 3.766 20 0 EHADRM CCC[C@@H](C)N(C)C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000607435163 1033138956 /nfs/dbraw/zinc/13/89/56/1033138956.db2.gz FIAXPWAUJMYANZ-CQSZACIVSA-N -1 0 329.444 3.962 20 0 EHADRM C[C@@H](C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1)c1ccco1 ZINC000607482798 1033158326 /nfs/dbraw/zinc/15/83/26/1033158326.db2.gz SVXZWQNOUZAQIT-SECBINFHSA-N -1 0 333.800 3.616 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cn1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000598371399 1033165471 /nfs/dbraw/zinc/16/54/71/1033165471.db2.gz XCVNTKVXCPCVJE-UHFFFAOYSA-N -1 0 340.379 3.593 20 0 EHADRM O=C(Nc1ccnn1CCc1ccccc1)c1ccc([O-])c(Cl)c1 ZINC000171301603 1033167816 /nfs/dbraw/zinc/16/78/16/1033167816.db2.gz FQISGMVMUWRTLC-UHFFFAOYSA-N -1 0 341.798 3.737 20 0 EHADRM O=C([O-])CCCCCNC(=O)CCCc1ccc2ccccc2c1 ZINC000190879368 1023976685 /nfs/dbraw/zinc/97/66/85/1023976685.db2.gz CTCHHLJZWWHEII-UHFFFAOYSA-N -1 0 327.424 3.924 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CCn1ccc2ccccc21 ZINC000471993348 1024009966 /nfs/dbraw/zinc/00/99/66/1024009966.db2.gz UNLDBYSQPSQRRZ-UHFFFAOYSA-N -1 0 336.391 3.985 20 0 EHADRM O=S(=O)([N-]c1cccc2ccsc21)c1ccc(F)c(F)c1 ZINC000443468652 1024010505 /nfs/dbraw/zinc/01/05/05/1024010505.db2.gz POHDZKALBQQOOY-UHFFFAOYSA-N -1 0 325.361 3.980 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CCC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)o1 ZINC000392242289 1024076684 /nfs/dbraw/zinc/07/66/84/1024076684.db2.gz LNKDAQITNGDSDC-SUMWQHHRSA-N -1 0 341.407 3.692 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N2CC[C@H]2Cc2ccccc2)s1 ZINC000443872511 1024077606 /nfs/dbraw/zinc/07/76/06/1024077606.db2.gz AQVHVWCCWXNWBC-HNNXBMFYSA-N -1 0 344.484 3.713 20 0 EHADRM CC(C)(C)n1cc(-c2ccccc2OC(F)(F)F)c(C(=O)[O-])n1 ZINC000657205053 1024086152 /nfs/dbraw/zinc/08/61/52/1024086152.db2.gz UHIKMBZAYJUQNL-UHFFFAOYSA-N -1 0 328.290 3.902 20 0 EHADRM Cc1cc(-c2cccc(CCC(=O)[O-])c2)ccc1O[C@@H]1CCOC1 ZINC000657204720 1024087068 /nfs/dbraw/zinc/08/70/68/1024087068.db2.gz AKUVOIQOOJADOX-GOSISDBHSA-N -1 0 326.392 3.847 20 0 EHADRM COCC[C@@H](Cc1cccc(-c2cc(F)ccc2OC)c1)C(=O)[O-] ZINC000657204969 1024087169 /nfs/dbraw/zinc/08/71/69/1024087169.db2.gz MCPRLWKECGDIRO-HNNXBMFYSA-N -1 0 332.371 3.781 20 0 EHADRM CC(C)COc1ccc(-c2ccc3onc(CC(=O)[O-])c3c2)cn1 ZINC000657205573 1024111694 /nfs/dbraw/zinc/11/16/94/1024111694.db2.gz OHMVRUMTILNNEW-UHFFFAOYSA-N -1 0 326.352 3.552 20 0 EHADRM CCOc1ccc(CNC(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)cc1 ZINC000522619834 1024123365 /nfs/dbraw/zinc/12/33/65/1024123365.db2.gz COIVBUKHOIRSCF-FQEVSTJZSA-N -1 0 347.455 3.763 20 0 EHADRM COc1ccc(-c2ccc(CC[C@H](C)CC(=O)[O-])cc2)c(CO)c1 ZINC000657207176 1024128430 /nfs/dbraw/zinc/12/84/30/1024128430.db2.gz HHIIFSOTYVHOGC-AWEZNQCLSA-N -1 0 328.408 3.898 20 0 EHADRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)CCCc1ccc(C(C)(C)C)cc1 ZINC000785094971 1024134728 /nfs/dbraw/zinc/13/47/28/1024134728.db2.gz XWTCQZMPDVFKQQ-CQSZACIVSA-N -1 0 339.501 3.551 20 0 EHADRM CCC[C@@H](C(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1)c1ccccc1 ZINC000236842265 1024170858 /nfs/dbraw/zinc/17/08/58/1024170858.db2.gz QRSUPOWERMHMTQ-GXTWGEPZSA-N -1 0 346.452 3.911 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCC2CC2)c2ccccc21 ZINC000417632940 1024205406 /nfs/dbraw/zinc/20/54/06/1024205406.db2.gz TYEITDOZPTZGIC-MOPGFXCFSA-N -1 0 337.419 3.878 20 0 EHADRM Cc1ccccc1S([O-])=CC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000108090648 1024235194 /nfs/dbraw/zinc/23/51/94/1024235194.db2.gz ODTBTUJISGKOLR-DMZKTXOQSA-N -1 0 335.856 3.633 20 0 EHADRM FC(F)(F)CN=c1[n-]nc(SCc2ccc3c(c2)CCC3)s1 ZINC000522332452 1024250140 /nfs/dbraw/zinc/25/01/40/1024250140.db2.gz VNOJRACPJLSPRM-UHFFFAOYSA-N -1 0 345.415 3.715 20 0 EHADRM CC(C)(C)c1cc(C(=O)Nc2nnc(/C=C/c3ccco3)s2)no1 ZINC000152373525 1024270780 /nfs/dbraw/zinc/27/07/80/1024270780.db2.gz NIIVNSRXXKTCGO-VOTSOKGWSA-N -1 0 344.396 3.839 20 0 EHADRM CCc1ccc(CS(=O)(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC000548527833 1024280199 /nfs/dbraw/zinc/28/01/99/1024280199.db2.gz GTNGVUYBGMZJON-UHFFFAOYSA-N -1 0 347.436 3.506 20 0 EHADRM CC[C@@H]1CCC[C@@H]1CNS(=O)(=O)c1cc2cc(F)ccc2o1 ZINC001211889362 1024309974 /nfs/dbraw/zinc/30/99/74/1024309974.db2.gz BDZUTDPOKPDDDK-VXGBXAGGSA-N -1 0 325.405 3.677 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCc1cc2ccccc2o1 ZINC000330119492 1024323063 /nfs/dbraw/zinc/32/30/63/1024323063.db2.gz ZYNLBQWSZRTUEL-JQFCIGGWSA-N -1 0 341.407 3.610 20 0 EHADRM O=C(c1cc(-c2ccccc2)cc(Cl)c1[O-])N1CCC(CO)CC1 ZINC000156661769 1024335808 /nfs/dbraw/zinc/33/58/08/1024335808.db2.gz KFOIXKWUKSDUCK-UHFFFAOYSA-N -1 0 345.826 3.557 20 0 EHADRM O=S(=O)([N-]c1cc(F)ccc1O)c1ccc(Cl)c(Cl)c1 ZINC000033757771 1024358144 /nfs/dbraw/zinc/35/81/44/1024358144.db2.gz JEPYRSZFZZSNQY-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000522363085 1024359603 /nfs/dbraw/zinc/35/96/03/1024359603.db2.gz RJMYXMNRLCEZKQ-UHFFFAOYSA-N -1 0 327.837 3.535 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N[C@H](C)c2cccc(OCC)c2)s1 ZINC000520135773 1024396693 /nfs/dbraw/zinc/39/66/93/1024396693.db2.gz MJNWZMXEJVHQLB-GFCCVEGCSA-N -1 0 348.472 3.584 20 0 EHADRM COc1ccnc2c([N-]S(=O)(=O)c3ccc(C)c(C)c3)cccc12 ZINC000535767141 1024401651 /nfs/dbraw/zinc/40/16/51/1024401651.db2.gz STWRIZPKWBHLBE-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM CC(C)CC[C@@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)C(C)(C)C ZINC000522397316 1024432640 /nfs/dbraw/zinc/43/26/40/1024432640.db2.gz UGXAWWRDOWRATP-OAHLLOKOSA-N -1 0 345.443 3.611 20 0 EHADRM Cc1ccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1OC(C)C ZINC000427621648 1024437097 /nfs/dbraw/zinc/43/70/97/1024437097.db2.gz DSOJHNQSQDGMJW-UHFFFAOYSA-N -1 0 336.391 3.876 20 0 EHADRM CC(C)c1nc(/C=C\c2cc(-n3ccnc3)cs2)ncc1C(=O)[O-] ZINC000342221149 1024455614 /nfs/dbraw/zinc/45/56/14/1024455614.db2.gz LFPXBYUAGAUJON-ARJAWSKDSA-N -1 0 340.408 3.716 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nnc(CC3CCCCC3)o2)cc1C ZINC000194898481 1024464187 /nfs/dbraw/zinc/46/41/87/1024464187.db2.gz NLLUPSFWHDIDKM-UHFFFAOYSA-N -1 0 349.456 3.610 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000327160092 1024468054 /nfs/dbraw/zinc/46/80/54/1024468054.db2.gz XCMWMQXBVJWDIA-IBGZPJMESA-N -1 0 340.379 3.950 20 0 EHADRM CC(C)C[C@H]1C[C@H](NC(=O)CCCc2ccc(O)c(F)c2)CCO1 ZINC000469798280 1024470083 /nfs/dbraw/zinc/47/00/83/1024470083.db2.gz MHPCJPDKAMMQNF-CVEARBPZSA-N -1 0 337.435 3.564 20 0 EHADRM CC(C)n1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000280956742 1024486372 /nfs/dbraw/zinc/48/63/72/1024486372.db2.gz KCLTYZWSBBBEIY-UHFFFAOYSA-N -1 0 334.228 3.572 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2noc3ccc(Cl)cc32)c1 ZINC000427635934 1024571328 /nfs/dbraw/zinc/57/13/28/1024571328.db2.gz IFFIPVBZNAOATI-UHFFFAOYSA-N -1 0 336.800 3.844 20 0 EHADRM CC(C)c1ncsc1C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000909522698 1024584382 /nfs/dbraw/zinc/58/43/82/1024584382.db2.gz HWIOUFQNMOUQNK-LLVKDONJSA-N -1 0 332.425 3.782 20 0 EHADRM Cc1csc(CCCC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)n1 ZINC000514732411 1024707215 /nfs/dbraw/zinc/70/72/15/1024707215.db2.gz GQQSLQSAZYTPMN-UHFFFAOYSA-N -1 0 332.425 3.728 20 0 EHADRM COc1cc(C)c(NC(=O)CC2CCC(C(=O)[O-])CC2)c(C)c1C ZINC000514733631 1024707752 /nfs/dbraw/zinc/70/77/52/1024707752.db2.gz WYOXEPQEEGGNGK-UHFFFAOYSA-N -1 0 333.428 3.840 20 0 EHADRM CCOC(=O)C(C)(C)CC(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000514747950 1024710664 /nfs/dbraw/zinc/71/06/64/1024710664.db2.gz HATPASZAYIRRHH-UHFFFAOYSA-N -1 0 334.199 3.617 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000427670329 1024717239 /nfs/dbraw/zinc/71/72/39/1024717239.db2.gz DHQMPCLRTSELRW-YTQUADARSA-N -1 0 343.467 3.920 20 0 EHADRM CCCS(=O)(=O)[N-]c1nc(-c2ccc(OC(F)F)cc2)cs1 ZINC000346404333 1024721305 /nfs/dbraw/zinc/72/13/05/1024721305.db2.gz CFOJBAGABXEYMD-UHFFFAOYSA-N -1 0 348.396 3.563 20 0 EHADRM Cc1nc([C@H](C)NC(=O)c2c(C)cc(C)cc2C)sc1C(=O)[O-] ZINC000262578033 1033231622 /nfs/dbraw/zinc/23/16/22/1033231622.db2.gz PDPDRNGHEKEHNX-LBPRGKRZSA-N -1 0 332.425 3.566 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)c(OC(F)F)c1)c1ccsc1 ZINC000507916753 1024763515 /nfs/dbraw/zinc/76/35/15/1024763515.db2.gz DHEBXEQSNKHZPS-UHFFFAOYSA-N -1 0 339.772 3.804 20 0 EHADRM O=S(=O)([N-]c1ccccc1OCC(F)F)c1cccc(Cl)c1 ZINC000474394848 1024865205 /nfs/dbraw/zinc/86/52/05/1024865205.db2.gz SORKHIJRAZDFIL-UHFFFAOYSA-N -1 0 347.770 3.785 20 0 EHADRM C[C@H](NC(=O)N1CCCCC[C@@H]1C(=O)[O-])c1cccc2ccccc21 ZINC000684714179 1024901962 /nfs/dbraw/zinc/90/19/62/1024901962.db2.gz UNOYGCVTYAXGBQ-KBXCAEBGSA-N -1 0 340.423 3.940 20 0 EHADRM CC(C)C[C@@H](NC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000684715723 1024918213 /nfs/dbraw/zinc/91/82/13/1024918213.db2.gz VBLILRKPPNBQOQ-TVQRCGJNSA-N -1 0 347.242 3.853 20 0 EHADRM CC(C)[C@@H]1N(C(=O)N=c2[n-]nc(-c3ccsc3)s2)CC12CCC2 ZINC000330333212 1024929406 /nfs/dbraw/zinc/92/94/06/1024929406.db2.gz PPCOODQFMHQZFR-LBPRGKRZSA-N -1 0 348.497 3.731 20 0 EHADRM CC[C@H](NC(=O)N(C)[C@H](CC(C)C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000684717150 1024932546 /nfs/dbraw/zinc/93/25/46/1024932546.db2.gz HOSHEMRDCRISMT-LSDHHAIUSA-N -1 0 340.851 3.932 20 0 EHADRM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2Cl)n[nH]1 ZINC000474425679 1024944393 /nfs/dbraw/zinc/94/43/93/1024944393.db2.gz IRXHWQZXROILIB-UHFFFAOYSA-N -1 0 345.827 3.592 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)c1ccccc1-c1ccncc1 ZINC000909467482 1024974218 /nfs/dbraw/zinc/97/42/18/1024974218.db2.gz NRCZDKQDMLNCRN-UHFFFAOYSA-N -1 0 340.423 3.904 20 0 EHADRM Cc1ccc(C(C)(C)C)cc1S([O-])=CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000520805591 1025064047 /nfs/dbraw/zinc/06/40/47/1025064047.db2.gz MWQWVCVXJFZOAT-OWWKKJFISA-N -1 0 349.540 3.905 20 0 EHADRM C[C@H](N=c1[n-]nc(-c2ccccc2)s1)c1nc2c(s1)CCC2 ZINC000582049356 1025090094 /nfs/dbraw/zinc/09/00/94/1025090094.db2.gz ODKYTPQXXMIUNL-JTQLQIEISA-N -1 0 328.466 3.745 20 0 EHADRM COc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000071977862 1025097245 /nfs/dbraw/zinc/09/72/45/1025097245.db2.gz YELHGQJZFOWJCO-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)NCCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000435712371 1025099917 /nfs/dbraw/zinc/09/99/17/1025099917.db2.gz AOUYKHCOCMMZJK-WPVVBZQFSA-N -1 0 333.472 3.600 20 0 EHADRM O=C([O-])[C@H]1CC[C@@H](NC(=O)CC2(CCc3ccccc3)CCCC2)C1 ZINC000435712834 1025099929 /nfs/dbraw/zinc/09/99/29/1025099929.db2.gz GYZIGXXHXBAIRW-ZWKOTPCHSA-N -1 0 343.467 3.939 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)N[C@H]1CC(C)(C)c2ccccc21 ZINC000684735806 1025125903 /nfs/dbraw/zinc/12/59/03/1025125903.db2.gz NMYIVBVROWQTSH-HOTGVXAUSA-N -1 0 332.444 3.550 20 0 EHADRM CC(C)Cc1nnc([N-]S(=O)(=O)c2ccc3ccccc3c2)s1 ZINC000039891653 1025139898 /nfs/dbraw/zinc/13/98/98/1025139898.db2.gz MWROKHTVNPGRJY-UHFFFAOYSA-N -1 0 347.465 3.691 20 0 EHADRM COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2ccc(C)s2)c1 ZINC000106722785 1025142931 /nfs/dbraw/zinc/14/29/31/1025142931.db2.gz UAFZQJAYYNMECJ-UHFFFAOYSA-N -1 0 341.454 3.653 20 0 EHADRM CC(C)C[C@H](C(=O)[O-])N(C)C(=O)N[C@H](C)c1c(F)cccc1Cl ZINC000684739330 1025147737 /nfs/dbraw/zinc/14/77/37/1025147737.db2.gz KXSKQROBZMTOEI-ZWNOBZJWSA-N -1 0 344.814 3.681 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)Nc1ccc(F)c(C(F)(F)F)c1)C1CCC1 ZINC000684743887 1025190750 /nfs/dbraw/zinc/19/07/50/1025190750.db2.gz JUNVFTDLCGFIED-QMMMGPOBSA-N -1 0 348.296 3.704 20 0 EHADRM CCCOc1cccc(NC(=O)N(CC(=O)[O-])C2CCCCC2)c1 ZINC000684743325 1025195557 /nfs/dbraw/zinc/19/55/57/1025195557.db2.gz DMAYQPWXRONPCB-UHFFFAOYSA-N -1 0 334.416 3.727 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)s1 ZINC000515378387 1025207804 /nfs/dbraw/zinc/20/78/04/1025207804.db2.gz NJKIMIMDPGGBQB-IJLUTSLNSA-N -1 0 340.518 3.552 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N(CCC)[C@H]2CCc3ccccc32)s1 ZINC000521198476 1025272139 /nfs/dbraw/zinc/27/21/39/1025272139.db2.gz OTAHKRUSFABRBY-HNNXBMFYSA-N -1 0 344.484 3.844 20 0 EHADRM O=C(N[C@@H]1CCc2sc(Cl)cc21)c1s[n-]c(=O)c1Cl ZINC000521247147 1025283850 /nfs/dbraw/zinc/28/38/50/1025283850.db2.gz JOFPGEPYDHKZIV-RXMQYKEDSA-N -1 0 335.237 3.634 20 0 EHADRM CCC[C@H]1CCC[C@H]1C(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC000515501207 1025292741 /nfs/dbraw/zinc/29/27/41/1025292741.db2.gz XVZGJHYOBKDLMZ-WCQYABFASA-N -1 0 335.400 3.557 20 0 EHADRM CC(C)n1ncc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1C1CC1 ZINC000431360260 1025348151 /nfs/dbraw/zinc/34/81/51/1025348151.db2.gz WZAXANRBBXXNJC-UHFFFAOYSA-N -1 0 347.802 3.945 20 0 EHADRM CCOC(=O)c1ccccc1NC(=O)CC1(C(=O)[O-])CCCCCC1 ZINC000013467317 1025397304 /nfs/dbraw/zinc/39/73/04/1025397304.db2.gz ZNVSKFIWDYQAAI-UHFFFAOYSA-N -1 0 347.411 3.617 20 0 EHADRM CCC[C@H](C(=O)[O-])[S@](=O)[C@@H](C)c1ccc(Br)cc1 ZINC000515605103 1025400327 /nfs/dbraw/zinc/40/03/27/1025400327.db2.gz SSPXFRSPXGIKMW-PCULOGHHSA-N -1 0 333.247 3.512 20 0 EHADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000515615179 1025411154 /nfs/dbraw/zinc/41/11/54/1025411154.db2.gz MKKOFXILTCEGGN-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)N=c2[n-]nc(/C=C\c3ccco3)s2)C1 ZINC000474744312 1025412221 /nfs/dbraw/zinc/41/22/21/1025412221.db2.gz GXTXWTZRICNVTO-JIWOSTRHSA-N -1 0 346.456 3.622 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2ccc(OC3CCCC3)cc2)c1 ZINC000238227333 1033284836 /nfs/dbraw/zinc/28/48/36/1033284836.db2.gz GSFBYVGREMBSNF-UHFFFAOYSA-N -1 0 325.364 3.959 20 0 EHADRM CC(C)(C)c1nnc([N-]C(=O)c2cc(-c3ccccc3F)on2)s1 ZINC000119943713 1025478653 /nfs/dbraw/zinc/47/86/53/1025478653.db2.gz RIVVDBVIYLITPR-UHFFFAOYSA-N -1 0 346.387 3.882 20 0 EHADRM Cc1onc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)c1C ZINC000451044489 1025490257 /nfs/dbraw/zinc/49/02/57/1025490257.db2.gz BOZMBXBAFUIYRW-UHFFFAOYSA-N -1 0 335.212 3.540 20 0 EHADRM Cc1cc(Cl)c([N-]S(=O)(=O)c2cn(C(C)C)cn2)cc1C ZINC000451081059 1025517851 /nfs/dbraw/zinc/51/78/51/1025517851.db2.gz LRIYYHIBDUZJQO-UHFFFAOYSA-N -1 0 327.837 3.535 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cc1)c1cnccc1C(F)(F)F ZINC000442837677 1025526527 /nfs/dbraw/zinc/52/65/27/1025526527.db2.gz OGAKSTLCJTZLAF-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM COc1ccc(C(=O)Nc2scnc2-c2ccccc2)c(O)c1 ZINC000102725769 1025532504 /nfs/dbraw/zinc/53/25/04/1025532504.db2.gz DBSSARSLNCSRRD-UHFFFAOYSA-N -1 0 326.377 3.777 20 0 EHADRM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000342447789 1025539544 /nfs/dbraw/zinc/53/95/44/1025539544.db2.gz ZSZSSPIYGFLSEJ-UHFFFAOYSA-N -1 0 341.864 3.610 20 0 EHADRM CC1(c2cc([N-]S(=O)(=O)Cc3ccc(F)cc3)no2)CCCC1 ZINC000515748548 1025551620 /nfs/dbraw/zinc/55/16/20/1025551620.db2.gz BDQVCCXSOYUSGV-UHFFFAOYSA-N -1 0 338.404 3.587 20 0 EHADRM Cn1ccc2c1cccc2NC(=O)c1cccc(Br)c1[O-] ZINC000521648154 1025561262 /nfs/dbraw/zinc/56/12/62/1025561262.db2.gz NQVCZQUXJDKZLN-UHFFFAOYSA-N -1 0 345.196 3.899 20 0 EHADRM O=C([O-])CC1(CNC(=O)[C@H]2CCCc3ccccc32)CCCCC1 ZINC000392132592 1025615065 /nfs/dbraw/zinc/61/50/65/1025615065.db2.gz KFEVUBRAWWMWGB-KRWDZBQOSA-N -1 0 329.440 3.648 20 0 EHADRM Cc1cc(Br)cc(C)c1NC(=O)CC1(C(=O)[O-])CCC1 ZINC000312523812 1025732682 /nfs/dbraw/zinc/73/26/82/1025732682.db2.gz ISAQVIDZTWWMKR-UHFFFAOYSA-N -1 0 340.217 3.649 20 0 EHADRM CCCC[C@@H](NC(=O)c1cccc(Nc2ccccc2)c1)C(=O)[O-] ZINC000347254769 1025738252 /nfs/dbraw/zinc/73/82/52/1025738252.db2.gz BNMGWPQFKMOVLP-QGZVFWFLSA-N -1 0 326.396 3.803 20 0 EHADRM O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1c([O-])cccc1F ZINC000436495122 1025780067 /nfs/dbraw/zinc/78/00/67/1025780067.db2.gz NOFMVXFATIZXSD-UHFFFAOYSA-N -1 0 347.239 3.864 20 0 EHADRM [O-]c1ccc(-c2nc(-c3ccnc(OC(F)F)c3)no2)cc1Cl ZINC000436486891 1025791166 /nfs/dbraw/zinc/79/11/66/1025791166.db2.gz JICAUXDGRKLZAN-UHFFFAOYSA-N -1 0 339.685 3.759 20 0 EHADRM O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(Cl)cc1[O-] ZINC000436519998 1025821354 /nfs/dbraw/zinc/82/13/54/1025821354.db2.gz BMZRXMBJSIIPLD-OAHLLOKOSA-N -1 0 347.798 3.856 20 0 EHADRM C[C@H](Cc1nc2ccccc2s1)NC(=O)c1ccc(F)cc1[O-] ZINC000436541425 1025873222 /nfs/dbraw/zinc/87/32/22/1025873222.db2.gz XFSBPUMZODETIL-SNVBAGLBSA-N -1 0 330.384 3.502 20 0 EHADRM C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1ccc(F)cc1[O-] ZINC000436541424 1025873383 /nfs/dbraw/zinc/87/33/83/1025873383.db2.gz XFSBPUMZODETIL-JTQLQIEISA-N -1 0 330.384 3.502 20 0 EHADRM COCCCCNC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436558428 1025881657 /nfs/dbraw/zinc/88/16/57/1025881657.db2.gz VLFGHDZGMKUNEN-UHFFFAOYSA-N -1 0 333.815 3.869 20 0 EHADRM COCc1cccc(CNC(=O)c2c([O-])cc(Cl)cc2Cl)c1 ZINC000436564301 1025894771 /nfs/dbraw/zinc/89/47/71/1025894771.db2.gz RPEXQUDHPUHTKO-UHFFFAOYSA-N -1 0 340.206 3.775 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)Nc1ccc(OC(C)C)c(C)c1)C1CC1 ZINC000522057830 1025926723 /nfs/dbraw/zinc/92/67/23/1025926723.db2.gz ABQQHZLTGGJSTQ-HNNXBMFYSA-N -1 0 334.416 3.642 20 0 EHADRM C[C@H]1CCCC[C@H]1N(C)C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000522059419 1025927512 /nfs/dbraw/zinc/92/75/12/1025927512.db2.gz ANIHUXSNQVNXHO-SWLSCSKDSA-N -1 0 347.846 3.882 20 0 EHADRM O=C(NC[C@H]1CCC2(CCCCC2)O1)c1cc(F)c([O-])c(Cl)c1 ZINC000436601456 1025932175 /nfs/dbraw/zinc/93/21/75/1025932175.db2.gz BWTCDMZDYNTNGF-GFCCVEGCSA-N -1 0 341.810 3.796 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)s1 ZINC000522072405 1025938551 /nfs/dbraw/zinc/93/85/51/1025938551.db2.gz LVLBRGMEOIEFPB-HUUCEWRRSA-N -1 0 344.484 3.616 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cnn(CC(C)C)c2CC)c1 ZINC000436651401 1025977650 /nfs/dbraw/zinc/97/76/50/1025977650.db2.gz VJUDULBDFCZOPC-UHFFFAOYSA-N -1 0 343.427 3.652 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)c1 ZINC000436652634 1025980539 /nfs/dbraw/zinc/98/05/39/1025980539.db2.gz PCYHTGUHOOPSEW-CABCVRRESA-N -1 0 327.355 3.866 20 0 EHADRM Cc1ccc(-c2csc(NC(=O)C(=O)c3ccc(O)cc3)n2)s1 ZINC000436665852 1026002713 /nfs/dbraw/zinc/00/27/13/1026002713.db2.gz PQTSSEJDCWZNEI-UHFFFAOYSA-N -1 0 344.417 3.707 20 0 EHADRM O=S(=O)(N[C@H]1CC=CCC1)c1ccc(Cl)cc1C(F)(F)F ZINC000522968203 1026011530 /nfs/dbraw/zinc/01/15/30/1026011530.db2.gz DNYWGXLDONKDQR-JTQLQIEISA-N -1 0 339.766 3.746 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2ncccc2C(C)C)cc1C ZINC000443413285 1026014794 /nfs/dbraw/zinc/01/47/94/1026014794.db2.gz ZALAQNVAKWAGKA-UHFFFAOYSA-N -1 0 334.441 3.631 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)N1CCCC[C@@H]1c1ccc(F)cc1)C1CCC1 ZINC000665324305 1026018863 /nfs/dbraw/zinc/01/88/63/1026018863.db2.gz PHOUWNAFXSIWPZ-DLBZAZTESA-N -1 0 348.418 3.563 20 0 EHADRM O=C(NCC1CC(F)(F)C1)c1cc(Cl)c2ccccc2c1[O-] ZINC000436675862 1026023189 /nfs/dbraw/zinc/02/31/89/1026023189.db2.gz MHSPXQMFFIHLTF-UHFFFAOYSA-N -1 0 325.742 3.974 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CCCOc2ccc(F)cc2)c1 ZINC000436661550 1026023541 /nfs/dbraw/zinc/02/35/41/1026023541.db2.gz YNFGKJJALOVAPF-UHFFFAOYSA-N -1 0 345.370 3.922 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2sc(CC3CC3)nc2C)c1 ZINC000436660407 1026024429 /nfs/dbraw/zinc/02/44/29/1026024429.db2.gz UVYQAYPXNRHHRS-UHFFFAOYSA-N -1 0 344.436 3.955 20 0 EHADRM CN(C(=O)c1cc(Br)c(F)cc1[O-])C1(C)CCCC1 ZINC000451484045 1026028341 /nfs/dbraw/zinc/02/83/41/1026028341.db2.gz BKAGPDUABUPKKD-UHFFFAOYSA-N -1 0 330.197 3.699 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2sccc2-n2cccc2)c1 ZINC000436681997 1026033241 /nfs/dbraw/zinc/03/32/41/1026033241.db2.gz UCSYELSRVUFUAA-UHFFFAOYSA-N -1 0 326.377 3.699 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cccc(CC(F)(F)F)c2)[C@@H](C(=O)[O-])C1 ZINC000516139997 1026042121 /nfs/dbraw/zinc/04/21/21/1026042121.db2.gz VEALHYKXWNZBAI-ZWNOBZJWSA-N -1 0 344.333 3.508 20 0 EHADRM O=C([O-])c1cnc(-c2ccccc2)nc1/C=C\c1ccc(O)c(F)c1 ZINC000443446719 1026052655 /nfs/dbraw/zinc/05/26/55/1026052655.db2.gz UJEMKKOQWFKSPX-VURMDHGXSA-N -1 0 336.322 3.857 20 0 EHADRM Cc1ccsc1[C@H](CO)NC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000436703510 1026067066 /nfs/dbraw/zinc/06/70/66/1026067066.db2.gz DWMANHUSBCHZEY-JTQLQIEISA-N -1 0 346.235 3.532 20 0 EHADRM O=C(Nc1cc2c(cc1Cl)OCCO2)c1ccc(Cl)cc1[O-] ZINC000436725599 1026072069 /nfs/dbraw/zinc/07/20/69/1026072069.db2.gz YBLFEVLQBSCJIT-UHFFFAOYSA-N -1 0 340.162 3.723 20 0 EHADRM Cc1cc(NC(=O)c2cc3c(c(Cl)c2)OCO3)cc(C(=O)[O-])c1C ZINC000324650154 1026073188 /nfs/dbraw/zinc/07/31/88/1026073188.db2.gz BYYIVYJKQZXVBR-UHFFFAOYSA-N -1 0 347.754 3.636 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)C2(CC(C)C)CCCC2)sc1C(=O)[O-] ZINC000909504706 1026088945 /nfs/dbraw/zinc/08/89/45/1026088945.db2.gz DKMNGHVRQFPTGB-GFCCVEGCSA-N -1 0 338.473 3.933 20 0 EHADRM O=C(c1cc(F)ccc1O)N1CCCN(c2ccccc2Cl)CC1 ZINC000436729998 1026119969 /nfs/dbraw/zinc/11/99/69/1026119969.db2.gz DDJNBTZSVUHGCS-UHFFFAOYSA-N -1 0 348.805 3.537 20 0 EHADRM O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1ccccc1O ZINC000436729869 1026120054 /nfs/dbraw/zinc/12/00/54/1026120054.db2.gz TZVNJFFVBGVUCW-CYBMUJFWSA-N -1 0 327.277 3.955 20 0 EHADRM O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)c1cc(F)cc(Cl)c1[O-] ZINC000436731874 1026122663 /nfs/dbraw/zinc/12/26/63/1026122663.db2.gz RBZSHGRZSOMQRT-SJKOYZFVSA-N -1 0 349.789 3.692 20 0 EHADRM Cc1ccc(OCC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c(C)c1 ZINC000262427017 1026139030 /nfs/dbraw/zinc/13/90/30/1026139030.db2.gz BFZUJGDDKSQVCO-UHFFFAOYSA-N -1 0 327.380 3.636 20 0 EHADRM O=C(c1ccc(C(F)(F)F)cc1O)N1CCc2cc(F)c(F)cc21 ZINC000436750324 1026139611 /nfs/dbraw/zinc/13/96/11/1026139611.db2.gz FZMVPOXSFMFBIS-UHFFFAOYSA-N -1 0 343.251 3.892 20 0 EHADRM Cc1cc(CN=c2[n-]nc(CCc3ccccc3)o2)cc2cccnc12 ZINC000342534517 1026153086 /nfs/dbraw/zinc/15/30/86/1026153086.db2.gz YAPXIXHXUWEPJE-UHFFFAOYSA-N -1 0 344.418 3.745 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cc(C)cc3cccnc32)cc1 ZINC000614732149 1026229760 /nfs/dbraw/zinc/22/97/60/1026229760.db2.gz FFGSVMKRNKCQBM-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Br ZINC000128293380 1026250081 /nfs/dbraw/zinc/25/00/81/1026250081.db2.gz AYEKUZJTOZUGDC-IUCAKERBSA-N -1 0 346.608 3.542 20 0 EHADRM Cc1cccc(O[C@H](C)C(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)c1 ZINC000324812472 1026330477 /nfs/dbraw/zinc/33/04/77/1026330477.db2.gz SWTGAZMMDJIBIX-CQSZACIVSA-N -1 0 327.380 3.716 20 0 EHADRM CCOc1cc(CN=c2nc(C(C)C)[n-]s2)ccc1OC(F)F ZINC000530934240 1026418001 /nfs/dbraw/zinc/41/80/01/1026418001.db2.gz QDXVMWMIIYNHCR-UHFFFAOYSA-N -1 0 343.399 3.696 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)Cc2ccc(OC(F)F)cc2)cc1 ZINC000326952485 1026427214 /nfs/dbraw/zinc/42/72/14/1026427214.db2.gz HVJLDYRNGDABIK-YHYXMXQVSA-N -1 0 347.317 3.567 20 0 EHADRM O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1c([O-])cc(F)cc1F ZINC000127760989 1026428566 /nfs/dbraw/zinc/42/85/66/1026428566.db2.gz KWTRKSOJUPLAQF-SCLBCKFNSA-N -1 0 347.361 3.568 20 0 EHADRM CC(C)c1nc2cc(NC(=O)N3CC[C@@H](C)C[C@@H]3C(=O)[O-])ccc2o1 ZINC000582524736 1026497768 /nfs/dbraw/zinc/49/77/68/1026497768.db2.gz UWCUUEJIDLXWNC-BXUZGUMPSA-N -1 0 345.399 3.668 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)N(CC(=O)[O-])CC(C)C ZINC000582565208 1026610553 /nfs/dbraw/zinc/61/05/53/1026610553.db2.gz OALAMHJVGONARF-ZDUSSCGKSA-N -1 0 332.400 3.554 20 0 EHADRM COc1ccccc1-c1n[n-]c(=NCc2cccc3ccccc32)o1 ZINC000428342554 1026624349 /nfs/dbraw/zinc/62/43/49/1026624349.db2.gz WYNVPOVTCZFTBZ-UHFFFAOYSA-N -1 0 331.375 3.932 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC000909580078 1026660625 /nfs/dbraw/zinc/66/06/25/1026660625.db2.gz WVZQJTCUDJHYMD-GFCCVEGCSA-N -1 0 329.421 3.874 20 0 EHADRM Cc1cc(Cl)c(C(=O)N(CC(=O)[O-])Cc2ccccc2)cc1C ZINC000431459261 1026691037 /nfs/dbraw/zinc/69/10/37/1026691037.db2.gz RKHUBHWGIMLCFX-UHFFFAOYSA-N -1 0 331.799 3.684 20 0 EHADRM Cc1cscc1NC(=O)C[C@]1(C(=O)[O-])CCCc2ccccc21 ZINC000634825612 1026756223 /nfs/dbraw/zinc/75/62/23/1026756223.db2.gz AAKKUAOQHUMDNQ-GOSISDBHSA-N -1 0 329.421 3.744 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)c1cc(F)c(Cl)cc1Cl)C(=O)[O-] ZINC000400463255 1026889174 /nfs/dbraw/zinc/88/91/74/1026889174.db2.gz UCCGCVMGFUFSIP-KRTXAFLBSA-N -1 0 336.190 3.752 20 0 EHADRM C[C@@H](Oc1ccc(-c2cccc(CO[C@H]3CCOC3)c2)cc1)C(=O)[O-] ZINC000582676992 1026918368 /nfs/dbraw/zinc/91/83/68/1026918368.db2.gz JVCQMJVWWMVULR-KUHUBIRLSA-N -1 0 342.391 3.511 20 0 EHADRM COc1ccccc1-c1n[n-]c(=NCc2ccc(Cl)cc2F)o1 ZINC000428346141 1027061978 /nfs/dbraw/zinc/06/19/78/1027061978.db2.gz NAMPXWFAUWFSCJ-UHFFFAOYSA-N -1 0 333.750 3.572 20 0 EHADRM CCc1ccc([C@H]2CN([C@H](C(=O)[O-])c3ccccc3F)CCO2)cc1 ZINC000582729364 1027080346 /nfs/dbraw/zinc/08/03/46/1027080346.db2.gz BJZKZBFMULBGAV-MOPGFXCFSA-N -1 0 343.398 3.587 20 0 EHADRM O=C(N=c1cc(-c2cccc(F)c2F)[nH][nH]1)c1sccc1Cl ZINC000501297458 1027184049 /nfs/dbraw/zinc/18/40/49/1027184049.db2.gz DTPXMFHMACGAHF-UHFFFAOYSA-N -1 0 339.754 3.744 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1Cl ZINC000027056703 1027193205 /nfs/dbraw/zinc/19/32/05/1027193205.db2.gz NUNVZCSJUGDGTA-QWHCGFSZSA-N -1 0 337.803 3.733 20 0 EHADRM C[C@H](NC(=O)C[C@H](C(=O)[O-])c1ccccc1)c1cc2ccccc2o1 ZINC000029010809 1027375288 /nfs/dbraw/zinc/37/52/88/1027375288.db2.gz LVEPCRBJKUGIKC-BBRMVZONSA-N -1 0 337.375 3.869 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CC[C@@H](C)[C@H](C)C3)n2)cc1 ZINC000501614953 1027402988 /nfs/dbraw/zinc/40/29/88/1027402988.db2.gz KKXHURSOWNBSOT-HUUCEWRRSA-N -1 0 341.455 3.819 20 0 EHADRM CC(C)C[C@@H](C)N(c1ccc2[nH]ccc2c1)S(=O)(=O)c1ncc[n-]1 ZINC000647898125 1027404826 /nfs/dbraw/zinc/40/48/26/1027404826.db2.gz UQOLGCNITYXTOA-CYBMUJFWSA-N -1 0 346.456 3.521 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1nc(C(C)(C)C)co1 ZINC000414454633 1027534743 /nfs/dbraw/zinc/53/47/43/1027534743.db2.gz OKNSLGQNWLFSRJ-UHFFFAOYSA-N -1 0 328.821 3.735 20 0 EHADRM CCC(CC)(CC(=O)Nc1ccc(OC)c(OC(C)C)c1)C(=O)[O-] ZINC000273684464 1027559140 /nfs/dbraw/zinc/55/91/40/1027559140.db2.gz JMQMNODFDWBNSW-UHFFFAOYSA-N -1 0 337.416 3.702 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2OC)c(C)c1 ZINC000501866161 1027622482 /nfs/dbraw/zinc/62/24/82/1027622482.db2.gz XBCHSICDRRNHSD-UHFFFAOYSA-N -1 0 335.425 3.512 20 0 EHADRM CC(=O)c1ccc(CN=c2nc(C3CCCCC3)[n-]s2)nc1C ZINC000420610784 1027642702 /nfs/dbraw/zinc/64/27/02/1027642702.db2.gz MPGKJRJYMRBKFI-UHFFFAOYSA-N -1 0 330.457 3.526 20 0 EHADRM CN(C(=O)N=c1[n-]nc(C2CC2)s1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000582771023 1027654196 /nfs/dbraw/zinc/65/41/96/1027654196.db2.gz NGTCRAJXSWKXLE-LSDHHAIUSA-N -1 0 342.468 3.637 20 0 EHADRM CCc1ccc([C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C(C)C)cc1 ZINC000665818841 1027708991 /nfs/dbraw/zinc/70/89/91/1027708991.db2.gz VIEOKMUGAJWSCS-INIZCTEOSA-N -1 0 339.395 3.618 20 0 EHADRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C)sc1C ZINC000048961847 1027744842 /nfs/dbraw/zinc/74/48/42/1027744842.db2.gz HZRSTRXATJLAPR-UHFFFAOYSA-N -1 0 331.846 3.828 20 0 EHADRM CC(C)C[C@H](NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)c1cccs1 ZINC000422587846 1027797348 /nfs/dbraw/zinc/79/73/48/1027797348.db2.gz JBFGGJCXPDBZMP-MCIONIFRSA-N -1 0 338.473 3.588 20 0 EHADRM CCOc1cccc(C(=O)N=c2nc(-c3sccc3C)[n-]s2)c1 ZINC000472264442 1027798330 /nfs/dbraw/zinc/79/83/30/1027798330.db2.gz YCRSJWVTEAHOHD-UHFFFAOYSA-N -1 0 345.449 3.648 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cccc(OC3CCCCC3)c2)C1 ZINC000422584163 1027810525 /nfs/dbraw/zinc/81/05/25/1027810525.db2.gz DUELNWZWJNYMBJ-ZBFHGGJFSA-N -1 0 345.439 3.581 20 0 EHADRM CC(C)[C@H]1CCN1C(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1 ZINC000455179227 1027818289 /nfs/dbraw/zinc/81/82/89/1027818289.db2.gz LMAQMQAGFAWFBQ-GFCCVEGCSA-N -1 0 336.848 3.543 20 0 EHADRM CCc1cc(C(=O)N2CCC[C@H](C(=O)[O-])C2)sc1-c1ccccc1 ZINC000653471487 1027837960 /nfs/dbraw/zinc/83/79/60/1027837960.db2.gz MIIBEYBPMHAWNH-HNNXBMFYSA-N -1 0 343.448 3.914 20 0 EHADRM O=C(CCC(=O)c1cc(Cl)sc1Cl)Nc1ccncc1O ZINC000131988830 1027844564 /nfs/dbraw/zinc/84/45/64/1027844564.db2.gz FRQIVGIXIYGGKG-UHFFFAOYSA-N -1 0 345.207 3.757 20 0 EHADRM CC(C)COc1ccc(C(C)(C)NC(=O)CC2(C(=O)[O-])CCC2)cc1 ZINC000262544146 1027872189 /nfs/dbraw/zinc/87/21/89/1027872189.db2.gz RQNWMDMXGDXBTH-UHFFFAOYSA-N -1 0 347.455 3.718 20 0 EHADRM C[C@H](CNC(=O)c1ccccc1SCc1cccs1)CC(=O)[O-] ZINC000262193632 1028006264 /nfs/dbraw/zinc/00/62/64/1028006264.db2.gz IEYXRLJGKUBQFS-LBPRGKRZSA-N -1 0 349.477 3.881 20 0 EHADRM CCCOc1ccc(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)cc1 ZINC000503666343 1028022207 /nfs/dbraw/zinc/02/22/07/1028022207.db2.gz KIAVNIZXUGXCNY-UHFFFAOYSA-N -1 0 349.390 3.682 20 0 EHADRM COCc1ccc(CNC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)cc1 ZINC000523297494 1028117954 /nfs/dbraw/zinc/11/79/54/1028117954.db2.gz VTZLLSFFDVVXMH-HXUWFJFHSA-N -1 0 347.455 3.511 20 0 EHADRM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccnc1OC(C)C ZINC000614843435 1028173247 /nfs/dbraw/zinc/17/32/47/1028173247.db2.gz POOWTQWYERIGSJ-UHFFFAOYSA-N -1 0 340.832 3.631 20 0 EHADRM CC[C@H](CS(=O)(=O)[N-]c1cc(Cl)ccc1C(F)(F)F)OC ZINC000421252645 1028218052 /nfs/dbraw/zinc/21/80/52/1028218052.db2.gz UUFZGHNFPQRZGT-SECBINFHSA-N -1 0 345.770 3.526 20 0 EHADRM C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000136046693 1028230938 /nfs/dbraw/zinc/23/09/38/1028230938.db2.gz JBORMYNTMFAZDO-ZDUSSCGKSA-N -1 0 339.370 3.550 20 0 EHADRM O=C(NC1(c2ccc(Cl)cc2)CCOCC1)c1cccc(F)c1[O-] ZINC001125638147 1028292936 /nfs/dbraw/zinc/29/29/36/1028292936.db2.gz KKZIUMBGEIHNTD-UHFFFAOYSA-N -1 0 349.789 3.620 20 0 EHADRM COCCc1nc(=Nc2ccc(C(C)(C)C(F)(F)F)cc2)s[n-]1 ZINC000444834266 1028332200 /nfs/dbraw/zinc/33/22/00/1028332200.db2.gz DWRBUSMSFFKNMP-UHFFFAOYSA-N -1 0 345.390 3.732 20 0 EHADRM COC(=O)[C@@H]1Cc2cccc(Nc3cc(Cl)cc(C(=O)[O-])c3)c2C1 ZINC001211969717 1028438060 /nfs/dbraw/zinc/43/80/60/1028438060.db2.gz WSKLIVKZBHQOQH-GFCCVEGCSA-N -1 0 345.782 3.670 20 0 EHADRM Cc1cc(C)c(NC(=O)[C@H]2CCC[C@@H]2C(=O)[O-])cc1Br ZINC000634829630 1028458658 /nfs/dbraw/zinc/45/86/58/1028458658.db2.gz CAJKOZRFFBHCKA-QWRGUYRKSA-N -1 0 340.217 3.505 20 0 EHADRM C[C@@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)[C@H](c2ccco2)C1 ZINC000072905271 1028523338 /nfs/dbraw/zinc/52/33/38/1028523338.db2.gz VEXIBULKRRDSPF-YPMHNXCESA-N -1 0 329.425 3.963 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(OC3CCCC3)nc2)cc1C(=O)[O-] ZINC000431515391 1028551440 /nfs/dbraw/zinc/55/14/40/1028551440.db2.gz ZSQIHDVSPLZNPP-UHFFFAOYSA-N -1 0 340.379 3.662 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)c1C ZINC000523737536 1028579487 /nfs/dbraw/zinc/57/94/87/1028579487.db2.gz BXNLWEDRMVEJCG-KKSFZXQISA-N -1 0 339.435 3.913 20 0 EHADRM CCC[C@](C)(NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000236821689 1028590020 /nfs/dbraw/zinc/59/00/20/1028590020.db2.gz BRFVJMDBZVRDAI-UVWXRNBGSA-N -1 0 344.238 3.857 20 0 EHADRM CCC[C@@](C)(NC(=O)CCc1ccc(-c2ccccc2)o1)C(=O)[O-] ZINC000236950157 1028605080 /nfs/dbraw/zinc/60/50/80/1028605080.db2.gz AYZHNPMWXSXWBI-LJQANCHMSA-N -1 0 329.396 3.639 20 0 EHADRM CC[C@H](C)[C@H](C)C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000431517333 1028623687 /nfs/dbraw/zinc/62/36/87/1028623687.db2.gz DYAYIEMMQQTKMA-DOXZYTNZSA-N -1 0 341.451 3.882 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@@H](C)Sc1ccccc1 ZINC000237363383 1028648313 /nfs/dbraw/zinc/64/83/13/1028648313.db2.gz PLBUSGWXSYVJGI-PBHICJAKSA-N -1 0 343.448 3.808 20 0 EHADRM C[C@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])c1cc2ccccc2o1 ZINC000237415854 1028650532 /nfs/dbraw/zinc/65/05/32/1028650532.db2.gz DGRLFLVSOJOQBR-GUYCJALGSA-N -1 0 349.386 3.574 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1cc2c(cccc2F)[nH]1 ZINC000237665967 1028658886 /nfs/dbraw/zinc/65/88/86/1028658886.db2.gz ADVVRWJDZBNUAQ-INIZCTEOSA-N -1 0 340.354 3.561 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)CCc1ccccc1Cl ZINC000237647769 1028659604 /nfs/dbraw/zinc/65/96/04/1028659604.db2.gz MUUNQCHEOGLHMH-KRWDZBQOSA-N -1 0 345.826 3.913 20 0 EHADRM Cc1cc(NC(=O)c2ccc(-n3cccc3)c(F)c2)ccc1C(=O)[O-] ZINC000237835810 1028668379 /nfs/dbraw/zinc/66/83/79/1028668379.db2.gz WOBYUHOHMZFENI-UHFFFAOYSA-N -1 0 338.338 3.875 20 0 EHADRM O=C([O-])CN(Cc1ccccc1)C(=O)c1cc(Cl)sc1Cl ZINC000238149615 1028679625 /nfs/dbraw/zinc/67/96/25/1028679625.db2.gz GTXAYYLMLAHHNN-UHFFFAOYSA-N -1 0 344.219 3.782 20 0 EHADRM O=C(N=c1[n-]nc(CC2CCCCC2)s1)c1ccc(Cl)o1 ZINC000504578602 1028751328 /nfs/dbraw/zinc/75/13/28/1028751328.db2.gz GYKXUZICRGIEBR-UHFFFAOYSA-N -1 0 325.821 3.582 20 0 EHADRM O=C(Cc1ccc2c[nH]nc2c1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000502872887 1028765881 /nfs/dbraw/zinc/76/58/81/1028765881.db2.gz RYSIIFISBBTESD-UHFFFAOYSA-N -1 0 336.178 3.757 20 0 EHADRM CCOc1ccc(C(=O)N=c2[n-]nc(CC3CCCCC3)s2)cc1 ZINC000504634579 1028791519 /nfs/dbraw/zinc/79/15/19/1028791519.db2.gz MKBAVLQZEFOHRW-UHFFFAOYSA-N -1 0 345.468 3.734 20 0 EHADRM CC(C)Sc1ccc(Cl)cc1NC(=O)[C@H](C)O[C@@H](C)C(=O)[O-] ZINC000421808158 1028792936 /nfs/dbraw/zinc/79/29/36/1028792936.db2.gz QTZLAVAUTWHCFY-UWVGGRQHSA-N -1 0 345.848 3.657 20 0 EHADRM Cc1c(-c2nc(-c3ccc([O-])cc3F)no2)oc2c1C(=O)CCC2 ZINC000445464529 1028808545 /nfs/dbraw/zinc/80/85/45/1028808545.db2.gz UWBGZIWVWGPVIK-UHFFFAOYSA-N -1 0 328.299 3.669 20 0 EHADRM C[C@@H]1C[C@H](Sc2n[n-]c(=Nc3ccccc3F)s2)CCO1 ZINC000421827283 1028816078 /nfs/dbraw/zinc/81/60/78/1028816078.db2.gz XDINAFCCCATHFS-NXEZZACHSA-N -1 0 325.434 3.502 20 0 EHADRM COc1cc(C(=O)[O-])cc(NCc2cccc(C3CC3)c2)c1OC ZINC000421817984 1028835848 /nfs/dbraw/zinc/83/58/48/1028835848.db2.gz YGDXYUYVVYMCRP-UHFFFAOYSA-N -1 0 327.380 3.892 20 0 EHADRM CCCCOc1cc(/C=C/c2cc(C(=O)[O-])ncn2)ccc1OC ZINC000532803291 1028861806 /nfs/dbraw/zinc/86/18/06/1028861806.db2.gz SWKXEAMLGDGBCL-FNORWQNLSA-N -1 0 328.368 3.533 20 0 EHADRM COc1ccc(/C=C\c2cc(C(=O)[O-])ccn2)c(Br)c1 ZINC000504728625 1028868217 /nfs/dbraw/zinc/86/82/17/1028868217.db2.gz FOMDVCNBJWGQDJ-RQOWECAXSA-N -1 0 334.169 3.721 20 0 EHADRM Cc1cccc(N=c2[n-]nc(SCC(=O)C3(C)CC3)s2)c1C ZINC000475944279 1028943717 /nfs/dbraw/zinc/94/37/17/1028943717.db2.gz DRPYYTLMRZBLLS-UHFFFAOYSA-N -1 0 333.482 3.782 20 0 EHADRM Cc1nc2sccn2c1-c1noc(-c2ccc(Cl)cc2[O-])n1 ZINC000445634666 1029016606 /nfs/dbraw/zinc/01/66/06/1029016606.db2.gz LQUNETQTIBFCOW-UHFFFAOYSA-N -1 0 332.772 3.780 20 0 EHADRM Fc1ccc2[nH]cc(CCCN=c3nc(C(F)(F)F)[n-]s3)c2c1 ZINC000343077696 1029017051 /nfs/dbraw/zinc/01/70/51/1029017051.db2.gz KFGQQJXGVWTSJC-UHFFFAOYSA-N -1 0 344.337 3.644 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccccc1C(C)(F)F)C(=O)[O-] ZINC000424384579 1029039336 /nfs/dbraw/zinc/03/93/36/1029039336.db2.gz FNQAZJFHTDEWFJ-UHFFFAOYSA-N -1 0 328.359 3.811 20 0 EHADRM CCCc1nnc(NC(=O)c2cc3c(C(C)C)nn(C)c3s2)s1 ZINC000079691541 1029049671 /nfs/dbraw/zinc/04/96/71/1029049671.db2.gz QCODIPDHNJZUFE-UHFFFAOYSA-N -1 0 349.485 3.815 20 0 EHADRM CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424407758 1029052847 /nfs/dbraw/zinc/05/28/47/1029052847.db2.gz TZHDUCQXYIJDGY-HNNXBMFYSA-N -1 0 338.423 3.665 20 0 EHADRM COCCCC[C@H](N=c1[n-]nc(-c2ccon2)s1)c1ccccc1 ZINC000343084919 1029063810 /nfs/dbraw/zinc/06/38/10/1029063810.db2.gz OAGAYUSJYFZGEV-AWEZNQCLSA-N -1 0 344.440 3.585 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000532985590 1029144124 /nfs/dbraw/zinc/14/41/24/1029144124.db2.gz BLRKWAMIIQYTST-KRWDZBQOSA-N -1 0 340.402 3.674 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)n[nH]c1C(C)C ZINC000647278780 1029156806 /nfs/dbraw/zinc/15/68/06/1029156806.db2.gz GGJSIIPYXJFZMS-UHFFFAOYSA-N -1 0 348.255 3.949 20 0 EHADRM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2o1 ZINC000074838570 1029224732 /nfs/dbraw/zinc/22/47/32/1029224732.db2.gz TWRKXARWOUHZOF-UHFFFAOYSA-N -1 0 328.802 3.652 20 0 EHADRM [O-]c1ccc(-c2nc(-c3nnc(-c4ccccc4)o3)no2)cc1Cl ZINC000446008993 1029305715 /nfs/dbraw/zinc/30/57/15/1029305715.db2.gz AEISKRZXRVIECB-UHFFFAOYSA-N -1 0 340.726 3.813 20 0 EHADRM CCC[C@@](C)(NC(=O)N[C@H](C)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000583222786 1029307669 /nfs/dbraw/zinc/30/76/69/1029307669.db2.gz PGRYTFOHYGMRAV-RFAUZJTJSA-N -1 0 347.242 3.997 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000272314403 1029412016 /nfs/dbraw/zinc/41/20/16/1029412016.db2.gz ZVGLWGBFOIOKBJ-NWDGAFQWSA-N -1 0 329.318 3.902 20 0 EHADRM CCc1oc(C(=O)N2C[C@@H](C)C[C@H]2c2cccc(F)c2)cc1C(=O)[O-] ZINC000261621946 1029478702 /nfs/dbraw/zinc/47/87/02/1029478702.db2.gz HVZFXWCJVLXZER-NHYWBVRUSA-N -1 0 345.370 3.903 20 0 EHADRM CCc1oc(C(=O)N2CCC[C@@H]2c2ccccc2C)cc1C(=O)[O-] ZINC000261669756 1029481022 /nfs/dbraw/zinc/48/10/22/1029481022.db2.gz PCRDKJNNVKRRKB-OAHLLOKOSA-N -1 0 327.380 3.826 20 0 EHADRM CCc1oc(C(=O)Nc2c(C)cccc2OC(F)F)cc1C(=O)[O-] ZINC000261715856 1029489718 /nfs/dbraw/zinc/48/97/18/1029489718.db2.gz WAUKWIZSOJUTQP-UHFFFAOYSA-N -1 0 339.294 3.702 20 0 EHADRM CC(C)(C)c1ccc(C2CCN(C(=O)N=c3cccn[n-]3)CC2)cc1 ZINC000454936764 1029499254 /nfs/dbraw/zinc/49/92/54/1029499254.db2.gz ACBLHAYSWSOAAL-UHFFFAOYSA-N -1 0 338.455 3.608 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)c(Cl)c1 ZINC000513816413 1029518072 /nfs/dbraw/zinc/51/80/72/1029518072.db2.gz NIZSGHWJQHMESB-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM Cc1cnc(C(C)(C)NC(=O)CC2(CC(=O)[O-])CCCCC2)s1 ZINC000634904384 1029575504 /nfs/dbraw/zinc/57/55/04/1029575504.db2.gz NLTGUUFTKALBOD-UHFFFAOYSA-N -1 0 338.473 3.618 20 0 EHADRM Cc1ccc(CCCC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1 ZINC000262283521 1029579430 /nfs/dbraw/zinc/57/94/30/1029579430.db2.gz ZXIXJHRSDIMUGO-IBGZPJMESA-N -1 0 337.419 3.528 20 0 EHADRM CC(C)C[C@H]1C[C@@H](NC(=O)CC2(CC(=O)[O-])CCCCC2)CCO1 ZINC000634907890 1029580524 /nfs/dbraw/zinc/58/05/24/1029580524.db2.gz WTAIYFXPIHYSHC-HOTGVXAUSA-N -1 0 339.476 3.512 20 0 EHADRM C[C@@H](CC(=O)N([C@@H](C)C(=O)[O-])C1CC1)c1ccccc1C(F)(F)F ZINC000262578215 1029607435 /nfs/dbraw/zinc/60/74/35/1029607435.db2.gz DZPJJROIFIKHMM-QWRGUYRKSA-N -1 0 343.345 3.663 20 0 EHADRM O=C([O-])CC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1Br ZINC000050924901 1029612838 /nfs/dbraw/zinc/61/28/38/1029612838.db2.gz SEJVTCCNTYDQBG-ZDUSSCGKSA-N -1 0 344.224 3.808 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000074797386 1029636119 /nfs/dbraw/zinc/63/61/19/1029636119.db2.gz DVAQPHGTLGOMOC-NEPJUHHUSA-N -1 0 327.302 3.619 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)CCc2cc(C)cc(C)c2)sc1C(=O)[O-] ZINC000262827303 1029642338 /nfs/dbraw/zinc/64/23/38/1029642338.db2.gz QPGCHLYUMUBZEI-CYBMUJFWSA-N -1 0 346.452 3.577 20 0 EHADRM CC[C@H](C(=O)N1CCc2ccc(C(=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000262867233 1029646973 /nfs/dbraw/zinc/64/69/73/1029646973.db2.gz FBIMOPQFHVEOQR-SFHVURJKSA-N -1 0 341.382 3.602 20 0 EHADRM O=C([O-])CCCN(Cc1csc(C2CC2)n1)Cc1ccccc1 ZINC000583328108 1029650215 /nfs/dbraw/zinc/65/02/15/1029650215.db2.gz UKGUSXRYFNPVHI-UHFFFAOYSA-N -1 0 330.453 3.888 20 0 EHADRM CC[C@H](C)[C@@H](C)C(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC000262932567 1029651689 /nfs/dbraw/zinc/65/16/89/1029651689.db2.gz HCZOGBANZLUNHP-LSDHHAIUSA-N -1 0 331.456 3.848 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)C2CCC(c3ccccc3)CC2)C1 ZINC000262994880 1029654082 /nfs/dbraw/zinc/65/40/82/1029654082.db2.gz OKPQYCOBXOAVDP-NGICGMGXSA-N -1 0 343.467 3.920 20 0 EHADRM C[C@H]1CCCC[C@@H]1C(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC000263066143 1029663325 /nfs/dbraw/zinc/66/33/25/1029663325.db2.gz NZZWVVFFZHSOLN-YJBOKZPZSA-N -1 0 343.467 3.992 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000263100576 1029666438 /nfs/dbraw/zinc/66/64/38/1029666438.db2.gz CTRBOVJPMPJXTJ-RYUDHWBXSA-N -1 0 347.798 3.925 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)C2(c3c(F)cccc3F)CCC2)cc1 ZINC000263139099 1029669044 /nfs/dbraw/zinc/66/90/44/1029669044.db2.gz GOPHGZNDLOVPNZ-UHFFFAOYSA-N -1 0 345.345 3.652 20 0 EHADRM CCC[C@@H](CNC(=O)C(C)(C)Cc1cccc(Cl)c1)C(=O)[O-] ZINC000263151219 1029670169 /nfs/dbraw/zinc/67/01/69/1029670169.db2.gz IZMKWFAQYVPCBP-ZDUSSCGKSA-N -1 0 325.836 3.526 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)C2(c3cccc(F)c3)CCCC2)s1 ZINC000263094075 1029670238 /nfs/dbraw/zinc/67/02/38/1029670238.db2.gz CIJKWSIBSHZVDK-UHFFFAOYSA-N -1 0 347.411 3.714 20 0 EHADRM Cc1nc(-c2ccsc2)ccc1C(=O)N[C@@](C)(CC(=O)[O-])C(C)C ZINC000263154238 1029670498 /nfs/dbraw/zinc/67/04/98/1029670498.db2.gz ZHUCSHFKZVLTDG-SFHVURJKSA-N -1 0 346.452 3.738 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1nc(-c2ccccc2Cl)cs1)C1CC1 ZINC000263156462 1029670563 /nfs/dbraw/zinc/67/05/63/1029670563.db2.gz QABPUQCAXAYDGE-SNVBAGLBSA-N -1 0 336.844 3.901 20 0 EHADRM CCC1(C(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)CCCCC1 ZINC000263172791 1029671366 /nfs/dbraw/zinc/67/13/66/1029671366.db2.gz KVOSHHCMXDLZDZ-IRXDYDNUSA-N -1 0 329.440 3.674 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)[C@@H]3CC[C@H](C(=O)[O-])C3)ccc2o1 ZINC000263195689 1029672852 /nfs/dbraw/zinc/67/28/52/1029672852.db2.gz JDUQCDFZWNIOBY-MNOVXSKESA-N -1 0 330.384 3.565 20 0 EHADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000263208550 1029674960 /nfs/dbraw/zinc/67/49/60/1029674960.db2.gz ZJIXCEPLGDSCOU-CMPLNLGQSA-N -1 0 344.238 3.638 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000263261750 1029682552 /nfs/dbraw/zinc/68/25/52/1029682552.db2.gz UVDHMHKFLWRDDK-UVDFWXMISA-N -1 0 337.419 3.655 20 0 EHADRM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000263319411 1029687706 /nfs/dbraw/zinc/68/77/06/1029687706.db2.gz IJXUMIHVAXJALK-QAPCUYQASA-N -1 0 337.419 3.640 20 0 EHADRM CCc1c(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cnn1C(C)(C)C ZINC000263341104 1029689508 /nfs/dbraw/zinc/68/95/08/1029689508.db2.gz RYNHKKNEQJLMAA-LBPRGKRZSA-N -1 0 343.427 3.641 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Cc2ccc(C(=O)[O-])cc2)o1 ZINC000263327549 1029689668 /nfs/dbraw/zinc/68/96/68/1029689668.db2.gz LASDLECUQOPIDQ-DYVFJYSZSA-N -1 0 341.407 3.829 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000263370810 1029691156 /nfs/dbraw/zinc/69/11/56/1029691156.db2.gz VHJVRMWUHMTNMZ-RKDXNWHRSA-N -1 0 349.736 3.542 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-] ZINC000263408234 1029694322 /nfs/dbraw/zinc/69/43/22/1029694322.db2.gz GLXHIUVAGKNEKZ-XKQJLSEDSA-N -1 0 335.419 3.544 20 0 EHADRM O=C([O-])c1ccc(CN(CCC(F)(F)F)CC(F)(F)F)cc1 ZINC000263421986 1029696706 /nfs/dbraw/zinc/69/67/06/1029696706.db2.gz PEXUPSZUIWNGGR-UHFFFAOYSA-N -1 0 329.240 3.702 20 0 EHADRM O=C([O-])[C@H]1CCCN1c1cc(C(F)F)nc2ccc(Cl)cc21 ZINC000263415518 1029696715 /nfs/dbraw/zinc/69/67/15/1029696715.db2.gz NSPHDSVXDNPXLA-GFCCVEGCSA-N -1 0 326.730 3.879 20 0 EHADRM CCc1c(C)sc(NC(=O)c2cc(Cl)cn2C)c1C(=O)[O-] ZINC000263432664 1029697455 /nfs/dbraw/zinc/69/74/55/1029697455.db2.gz KYINYAJSTZSCDU-UHFFFAOYSA-N -1 0 326.805 3.561 20 0 EHADRM CN(CCC(=O)[O-])C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000263456972 1029700165 /nfs/dbraw/zinc/70/01/65/1029700165.db2.gz CKWUGBWPOPYQQA-UHFFFAOYSA-N -1 0 340.807 3.600 20 0 EHADRM CC[C@@H](Cc1ccc(F)cc1)NC(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000634926746 1029712064 /nfs/dbraw/zinc/71/20/64/1029712064.db2.gz ADVJZDRRXHUFPR-ZWKOTPCHSA-N -1 0 343.398 3.522 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2O)c1 ZINC000525156334 1029720113 /nfs/dbraw/zinc/72/01/13/1029720113.db2.gz QGRLDCDJYIXKBR-UHFFFAOYSA-N -1 0 325.817 3.970 20 0 EHADRM CC[C@@H](NC(=O)Cc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000347388113 1029720722 /nfs/dbraw/zinc/72/07/22/1029720722.db2.gz NTGIEZCJBVZNDA-MRXNPFEDSA-N -1 0 331.799 3.848 20 0 EHADRM CC(C)c1nc(C=Cc2nc(-c3ccccc3)c[nH]2)ncc1C(=O)[O-] ZINC000446618140 1029727852 /nfs/dbraw/zinc/72/78/52/1029727852.db2.gz SMRDZRVPCZAWOF-HJWRWDBZSA-N -1 0 334.379 3.859 20 0 EHADRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000446644689 1029735084 /nfs/dbraw/zinc/73/50/84/1029735084.db2.gz OOLUEKOSEHWRQE-UHFFFAOYSA-N -1 0 341.429 3.665 20 0 EHADRM O=C([O-])CN(C(=O)Nc1cccc(CSC2CCCC2)c1)C1CC1 ZINC000561541390 1029738985 /nfs/dbraw/zinc/73/89/85/1029738985.db2.gz AMJJGTGURNQCFS-UHFFFAOYSA-N -1 0 348.468 3.943 20 0 EHADRM CN(C)c1nc2cc(NC(=O)c3ccc([O-])c(Cl)c3)ccc2o1 ZINC000150992939 1029851987 /nfs/dbraw/zinc/85/19/87/1029851987.db2.gz UZJGEEDGCAXKIE-UHFFFAOYSA-N -1 0 331.759 3.505 20 0 EHADRM CCc1ncc(S(=O)(=O)[N-]c2c(Cl)ccc(C)c2C)s1 ZINC000446960022 1029865229 /nfs/dbraw/zinc/86/52/29/1029865229.db2.gz XFMZAWCUKQOZCX-UHFFFAOYSA-N -1 0 330.862 3.777 20 0 EHADRM Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000119991648 1029894939 /nfs/dbraw/zinc/89/49/39/1029894939.db2.gz YDYRAIHWERSOSK-UHFFFAOYSA-N -1 0 349.305 3.675 20 0 EHADRM CCC[C@H](NC(=O)c1sc(C2CC2)nc1-c1ccccc1)C(=O)[O-] ZINC000455764781 1029905115 /nfs/dbraw/zinc/90/51/15/1029905115.db2.gz RAEJOLAKFQNLPG-ZDUSSCGKSA-N -1 0 344.436 3.671 20 0 EHADRM C[C@@H]1C[C@H](CSc2n[n-]c(=Nc3ccccc3F)s2)CCO1 ZINC000447123867 1029964142 /nfs/dbraw/zinc/96/41/42/1029964142.db2.gz ZRRRHXSLAAZOAW-GHMZBOCLSA-N -1 0 339.461 3.750 20 0 EHADRM O=C(CCc1ccc(O)cc1)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000583536271 1030077167 /nfs/dbraw/zinc/07/71/67/1030077167.db2.gz CDTAQNANANGRTQ-UHFFFAOYSA-N -1 0 326.179 3.976 20 0 EHADRM CCCN(CC)C(=O)N=c1[n-]nc(-c2c(F)cccc2Cl)s1 ZINC000481913689 1030117224 /nfs/dbraw/zinc/11/72/24/1030117224.db2.gz GZRKZBKBOHXEFM-UHFFFAOYSA-N -1 0 342.827 3.683 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N3CC[C@@H](C)[C@@H]3C)s2)c1 ZINC000481944249 1030125578 /nfs/dbraw/zinc/12/55/78/1030125578.db2.gz KBHYESXVRYPDJG-OLZOCXBDSA-N -1 0 330.457 3.506 20 0 EHADRM COc1ncccc1CSc1n[n-]c(=Nc2ccccc2F)s1 ZINC000447350638 1030129362 /nfs/dbraw/zinc/12/93/62/1030129362.db2.gz KVWUOKNQSDTRHJ-UHFFFAOYSA-N -1 0 348.428 3.539 20 0 EHADRM O=C(c1cc(Br)cc(Cl)c1[O-])N1C2CCC1CC2 ZINC000525825651 1030149613 /nfs/dbraw/zinc/14/96/13/1030149613.db2.gz QSEQYZNIMZVCTJ-UHFFFAOYSA-N -1 0 330.609 3.575 20 0 EHADRM Cc1ccc(-c2nc(NC(=O)[C@@H](C(=O)[O-])C(C)C)sc2C)s1 ZINC000583565458 1030151314 /nfs/dbraw/zinc/15/13/14/1030151314.db2.gz UZEVFDWZDHDBHC-NSHDSACASA-N -1 0 338.454 3.784 20 0 EHADRM CN(C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-])C1CCOCC1 ZINC000532029825 1030266531 /nfs/dbraw/zinc/26/65/31/1030266531.db2.gz XINLJBRGXGRQJG-UHFFFAOYSA-N -1 0 345.826 3.964 20 0 EHADRM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000278344138 1030280928 /nfs/dbraw/zinc/28/09/28/1030280928.db2.gz NUTDEYRKVGKYER-JTQLQIEISA-N -1 0 339.716 3.988 20 0 EHADRM O=C([O-])c1ccc(CN2CCO[C@H](c3ccccc3F)C2)cc1Cl ZINC000583636378 1030322908 /nfs/dbraw/zinc/32/29/08/1030322908.db2.gz UJBGCVXAVBQNBR-KRWDZBQOSA-N -1 0 349.789 3.751 20 0 EHADRM Cc1ccc([C@@]2(C)CCN(C(=O)c3cc(F)c([O-])c(F)c3)C2)cc1 ZINC000447698833 1030429873 /nfs/dbraw/zinc/42/98/73/1030429873.db2.gz MPSWHYIXNVXDSJ-IBGZPJMESA-N -1 0 331.362 3.783 20 0 EHADRM CO[C@@H]1CCOc2c([N-]S(=O)(=O)c3ccc(C)cc3C)cccc21 ZINC000447778138 1030476960 /nfs/dbraw/zinc/47/69/60/1030476960.db2.gz IJPTWMYAMCQCFQ-MRXNPFEDSA-N -1 0 347.436 3.574 20 0 EHADRM CCCc1nc(=NC(=O)N2C[C@@H](c3ccc(C)cc3)C[C@H]2C)s[n-]1 ZINC000583721855 1030562581 /nfs/dbraw/zinc/56/25/81/1030562581.db2.gz TXYFKZTUEIRXJE-HIFRSBDPSA-N -1 0 344.484 3.631 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1)c1cccc2ccccc21 ZINC000583746868 1030619467 /nfs/dbraw/zinc/61/94/67/1030619467.db2.gz IZJLUTPYQZLDTR-CYJAXWMASA-N -1 0 337.419 3.908 20 0 EHADRM CCOC(=O)c1cc(Cl)cnc1Nc1ccc(C)c(C(=O)[O-])c1 ZINC001211596353 1030632341 /nfs/dbraw/zinc/63/23/41/1030632341.db2.gz DAERBMIRURDMQM-UHFFFAOYSA-N -1 0 334.759 3.662 20 0 EHADRM CCN(C(=O)N=c1[n-]nc(/C=C\c2ccco2)s1)[C@H](C)C(C)C ZINC000343387817 1030647491 /nfs/dbraw/zinc/64/74/91/1030647491.db2.gz ITNDJLBEVJRTIM-JLVNDZCYSA-N -1 0 334.445 3.622 20 0 EHADRM CC[C@@H]1CCCCCN1C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000447995485 1030647500 /nfs/dbraw/zinc/64/75/00/1030647500.db2.gz YQVYOCVUMYKEOH-GFCCVEGCSA-N -1 0 336.486 3.875 20 0 EHADRM Cc1ccccc1CN(C)C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000448000982 1030650724 /nfs/dbraw/zinc/65/07/24/1030650724.db2.gz RSKYFDZYDZMLOU-UHFFFAOYSA-N -1 0 344.465 3.661 20 0 EHADRM CC1CCC(N(C)C(=O)N=c2[n-]nc(/C=C\c3ccco3)s2)CC1 ZINC000343391782 1030659976 /nfs/dbraw/zinc/65/99/76/1030659976.db2.gz FUPGTNNGEBUKRR-KTKRTIGZSA-N -1 0 346.456 3.766 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ncccc1-c1ccccc1 ZINC000536125583 1030717995 /nfs/dbraw/zinc/71/79/95/1030717995.db2.gz GKTOXOSFBBOGAI-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM CCCCn1ncc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c1C ZINC000448131423 1030755268 /nfs/dbraw/zinc/75/52/68/1030755268.db2.gz XWXFTJUJJLNSRQ-UHFFFAOYSA-N -1 0 349.500 3.991 20 0 EHADRM CC(C)(CNC(=O)N=c1ccc(C2CC2)n[n-]1)c1ccc(Cl)cc1 ZINC000448151296 1030771966 /nfs/dbraw/zinc/77/19/66/1030771966.db2.gz MEFUUPFLHIOCCE-UHFFFAOYSA-N -1 0 344.846 3.529 20 0 EHADRM O=C([O-])C[C@@H](CNC(=O)N(c1ccccc1)c1ccccc1)C(F)F ZINC000685208808 1030804898 /nfs/dbraw/zinc/80/48/98/1030804898.db2.gz HFJWKYVKDSRJQP-ZDUSSCGKSA-N -1 0 348.349 3.890 20 0 EHADRM Cc1ccccc1S([O-])=CC(=O)NCCc1ccc(C(C)C)cc1 ZINC000194530264 1030837480 /nfs/dbraw/zinc/83/74/80/1030837480.db2.gz ZNRLISBZYYMEET-DEOSSOPVSA-N -1 0 343.492 3.585 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000262835096 1030922845 /nfs/dbraw/zinc/92/28/45/1030922845.db2.gz SIBMCVLAERIEPA-WBMJQRKESA-N -1 0 343.810 3.734 20 0 EHADRM O=C([O-])CC1(NC(=O)CC2CCC(C(F)(F)F)CC2)CCCC1 ZINC000262861201 1030934776 /nfs/dbraw/zinc/93/47/76/1030934776.db2.gz ISUHWDOQXDOZBE-UHFFFAOYSA-N -1 0 335.366 3.649 20 0 EHADRM CC(C)c1nc(C=Cc2c[nH]c(-c3ccccc3)n2)ncc1C(=O)[O-] ZINC000172818747 1031002834 /nfs/dbraw/zinc/00/28/34/1031002834.db2.gz DSJAKEDWEWMPTI-CMDGGOBGSA-N -1 0 334.379 3.859 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)[N-]c2nc3ccsc3s2)c1 ZINC000476908464 1031064728 /nfs/dbraw/zinc/06/47/28/1031064728.db2.gz LLAKRQIFYQYWDD-UHFFFAOYSA-N -1 0 328.415 3.606 20 0 EHADRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1nc(C(C)(C)C)co1 ZINC000551171823 1031074837 /nfs/dbraw/zinc/07/48/37/1031074837.db2.gz SPKYFFSXMXVMRF-UHFFFAOYSA-N -1 0 328.821 3.735 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(C(C)C)on2)ccc1OC(C)C ZINC000476921250 1031085344 /nfs/dbraw/zinc/08/53/44/1031085344.db2.gz HYCUBQSQZOEIOO-UHFFFAOYSA-N -1 0 338.429 3.694 20 0 EHADRM CC(C)n1cc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)cn1 ZINC000066585509 1031144018 /nfs/dbraw/zinc/14/40/18/1031144018.db2.gz OXSQREYLFDJEBO-UHFFFAOYSA-N -1 0 334.228 3.572 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N(CCc1ccccc1)[C@H]1CCOC1 ZINC000162903368 1031226181 /nfs/dbraw/zinc/22/61/81/1031226181.db2.gz IKNCWAKWEKJDDE-INIZCTEOSA-N -1 0 345.826 3.519 20 0 EHADRM Cc1ccc(Nc2ccc(OC3CCOCC3)cc2)cc1C(=O)[O-] ZINC001211606174 1031383423 /nfs/dbraw/zinc/38/34/23/1031383423.db2.gz IZDZZIHZZZZZKH-UHFFFAOYSA-N -1 0 327.380 3.995 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccsc2Cl)[C@@H]2CCCC[C@H]12 ZINC000668294996 1031412108 /nfs/dbraw/zinc/41/21/08/1031412108.db2.gz HUHMFSCQTWOSTC-CKYFFXLPSA-N -1 0 327.833 3.507 20 0 EHADRM CC1(C)C[C@]1(CNC(=O)CC1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000668297788 1031420425 /nfs/dbraw/zinc/42/04/25/1031420425.db2.gz BGZXXWOXEJUFLW-BUNACBEFSA-N -1 0 343.467 3.752 20 0 EHADRM Cc1nc(C=Cc2ccc(Cl)c(Cl)c2)[nH]c(=O)c1CC(=O)[O-] ZINC000347412069 1031421598 /nfs/dbraw/zinc/42/15/98/1031421598.db2.gz GJYLQVXNXXZZLW-HWKANZROSA-N -1 0 339.178 3.595 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000668304321 1031429686 /nfs/dbraw/zinc/42/96/86/1031429686.db2.gz KHCVTFGYJYFJRA-XNZZJLCSSA-N -1 0 335.831 3.593 20 0 EHADRM CCS[C@H]1CC[C@@H](N(C)C(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000163450791 1031467356 /nfs/dbraw/zinc/46/73/56/1031467356.db2.gz PTEMUOWNSUXUHA-MNOVXSKESA-N -1 0 331.840 3.931 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N[C@@H]2C[C@H]2c2cccc3ccccc32)C1 ZINC000668323106 1031491984 /nfs/dbraw/zinc/49/19/84/1031491984.db2.gz OYGBHCDEBJMFDA-STEAMIEHSA-N -1 0 337.419 3.703 20 0 EHADRM CC(C)(CCNC(=O)Nc1ccccc1-c1ccccc1)C(=O)[O-] ZINC000392167945 1031589676 /nfs/dbraw/zinc/58/96/76/1031589676.db2.gz GYZOGRRCWYSKFL-UHFFFAOYSA-N -1 0 326.396 3.976 20 0 EHADRM COc1ccc(CCC(=O)[O-])cc1NCC1=Cc2ccccc2OC1 ZINC000904014008 1031599183 /nfs/dbraw/zinc/59/91/83/1031599183.db2.gz MBYKTFZYFLSNRK-UHFFFAOYSA-N -1 0 339.391 3.600 20 0 EHADRM CC[C@H](Cc1ccc(NCc2c(Cl)c(C)nn2C)cc1)C(=O)[O-] ZINC000904014957 1031600591 /nfs/dbraw/zinc/60/05/91/1031600591.db2.gz ARLGXCSKGOLELB-CYBMUJFWSA-N -1 0 335.835 3.647 20 0 EHADRM CC(C)[C@@H]1C[C@@](NCc2nccn2C(C)C)(C(=O)[O-])c2ccccc21 ZINC000904011050 1031628099 /nfs/dbraw/zinc/62/80/99/1031628099.db2.gz WTWUQPNEWHGWQL-JXFKEZNVSA-N -1 0 341.455 3.677 20 0 EHADRM COc1ccc(CNc2ccc(CCCC(=O)[O-])cc2)c(F)c1OC ZINC000904011655 1031630843 /nfs/dbraw/zinc/63/08/43/1031630843.db2.gz CSSBLISCUXPDNF-UHFFFAOYSA-N -1 0 347.386 3.862 20 0 EHADRM Cc1nc(-c2ccc(NC[C@@H]3CCCCS3)nc2)[nH]c(=O)c1C ZINC000343613936 1031633635 /nfs/dbraw/zinc/63/36/35/1031633635.db2.gz YQRAEJRPUJKVEA-AWEZNQCLSA-N -1 0 330.457 3.559 20 0 EHADRM Cc1csc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)n1 ZINC000178178843 1031639337 /nfs/dbraw/zinc/63/93/37/1031639337.db2.gz MTDNSHQQWRRXNR-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM CSC[C@H](NCc1ccc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC000904040575 1031656385 /nfs/dbraw/zinc/65/63/85/1031656385.db2.gz QSBBNHWHVHDHQB-ZDUSSCGKSA-N -1 0 325.817 3.506 20 0 EHADRM CC(C)CN=c1[n-]nc(SCc2ccn(C3CCCC3)n2)s1 ZINC000477529101 1031658175 /nfs/dbraw/zinc/65/81/75/1031658175.db2.gz YQAVJWMKALHGGL-UHFFFAOYSA-N -1 0 337.518 3.632 20 0 EHADRM CCOCc1cccc([N-]S(=O)(=O)c2cc(C)c(F)cc2F)c1 ZINC000084650108 1031663091 /nfs/dbraw/zinc/66/30/91/1031663091.db2.gz KFWJKYNXTXXSTE-UHFFFAOYSA-N -1 0 341.379 3.611 20 0 EHADRM O=C([O-])[C@@H](NCc1cnc(C2CC2)o1)c1cccc(Cl)c1Cl ZINC000904025396 1031667223 /nfs/dbraw/zinc/66/72/23/1031667223.db2.gz GCFXZGLPTKMFHO-ZDUSSCGKSA-N -1 0 341.194 3.774 20 0 EHADRM Cc1ccc([C@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C(=O)[O-])cc1 ZINC000431541090 1031712569 /nfs/dbraw/zinc/71/25/69/1031712569.db2.gz ZSMUBKWMUGOTSZ-OWYHZJEWSA-N -1 0 343.467 3.886 20 0 EHADRM C[C@@H]1CCCN(C(=O)c2cc(Br)c(F)cc2[O-])CC1 ZINC000448818865 1031716128 /nfs/dbraw/zinc/71/61/28/1031716128.db2.gz QCEGFJXSXQCRAJ-SECBINFHSA-N -1 0 330.197 3.556 20 0 EHADRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2OC(F)F)cc1F ZINC000475739597 1031728107 /nfs/dbraw/zinc/72/81/07/1031728107.db2.gz ORHQILDHTIPNSM-UHFFFAOYSA-N -1 0 349.305 3.675 20 0 EHADRM [O-]c1c(F)cccc1-c1nc(-c2cc(N3CCCCC3)ccn2)no1 ZINC000904104337 1031730615 /nfs/dbraw/zinc/73/06/15/1031730615.db2.gz QUMOZMHNIVIBAF-UHFFFAOYSA-N -1 0 340.358 3.634 20 0 EHADRM COCc1cc(-c2ccc(C(=O)CCC(=O)[O-])cc2)ccc1OC ZINC000584124375 1031763210 /nfs/dbraw/zinc/76/32/10/1031763210.db2.gz CRPGXEDHQZBZQR-UHFFFAOYSA-N -1 0 328.364 3.556 20 0 EHADRM CCCCOc1ccccc1[N-]S(=O)(=O)c1ccccc1COC ZINC000484600660 1031779368 /nfs/dbraw/zinc/77/93/68/1031779368.db2.gz RFMAJLLBEYPAKZ-UHFFFAOYSA-N -1 0 349.452 3.813 20 0 EHADRM CC1(C)CCN(C(=O)c2cc(Br)c(F)cc2[O-])CC1 ZINC000448871200 1031800570 /nfs/dbraw/zinc/80/05/70/1031800570.db2.gz DUFCDDFXBBUVFL-UHFFFAOYSA-N -1 0 330.197 3.556 20 0 EHADRM CCOc1ccccc1NCc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904198985 1031845112 /nfs/dbraw/zinc/84/51/12/1031845112.db2.gz MGTHAAMMASANCN-UHFFFAOYSA-N -1 0 344.411 3.591 20 0 EHADRM Cc1ccc(NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)c(F)c1 ZINC000904199273 1031845702 /nfs/dbraw/zinc/84/57/02/1031845702.db2.gz OJOWRTJZJGIZFD-UHFFFAOYSA-N -1 0 332.375 3.640 20 0 EHADRM O=C([O-])N[C@H]1C[C@H](Nc2ccc3c(c2)OC2(CCCC2)O3)C12CCC2 ZINC000904229520 1031867722 /nfs/dbraw/zinc/86/77/22/1031867722.db2.gz JEHDKKSDAMXNLQ-HOTGVXAUSA-N -1 0 344.411 3.719 20 0 EHADRM Cc1cccc([C@H](NCc2ccc(CSC(F)F)o2)C(=O)[O-])c1 ZINC000904263092 1031889379 /nfs/dbraw/zinc/88/93/79/1031889379.db2.gz QFFVSXHQKCNGMD-AWEZNQCLSA-N -1 0 341.379 3.959 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(F)c2F)cc1Cl ZINC000181205481 1031954768 /nfs/dbraw/zinc/95/47/68/1031954768.db2.gz BVSDDYRUORMDJE-UHFFFAOYSA-N -1 0 345.754 3.622 20 0 EHADRM COCC1(CC(=O)Nc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000584234178 1031990701 /nfs/dbraw/zinc/99/07/01/1031990701.db2.gz SPTLZOAUMKNIOU-UHFFFAOYSA-N -1 0 348.624 3.563 20 0 EHADRM CCC(CC)n1ncc(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])c1C ZINC000449006227 1032042333 /nfs/dbraw/zinc/04/23/33/1032042333.db2.gz YCJNHFKYVIBFLI-QGZVFWFLSA-N -1 0 349.475 3.706 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)CCCCC1 ZINC000574619726 1033322362 /nfs/dbraw/zinc/32/23/62/1033322362.db2.gz FEVFEZZNKUWSPQ-ZIAGYGMSSA-N -1 0 335.831 3.737 20 0 EHADRM CCCOc1c(OC)cc(C(=O)[O-])cc1-c1ccc(OC)c(OC)c1 ZINC000574703053 1033361388 /nfs/dbraw/zinc/36/13/88/1033361388.db2.gz ACEZVGKBCHFEDL-UHFFFAOYSA-N -1 0 346.379 3.866 20 0 EHADRM Clc1ccc(Cc2n[n-]c(=NCc3cnc(C4CC4)s3)o2)cc1 ZINC000537490461 1033378219 /nfs/dbraw/zinc/37/82/19/1033378219.db2.gz LQMGUFZNLUXZMI-UHFFFAOYSA-N -1 0 346.843 3.682 20 0 EHADRM CCCC[C@@H](CC)COCCCNc1cccc(S(=O)(=O)[O-])c1 ZINC001168114455 1033574460 /nfs/dbraw/zinc/57/44/60/1033574460.db2.gz CHVWVLSRSBJWNT-OAHLLOKOSA-N -1 0 343.489 3.968 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1cc(OC(F)(F)F)ccc1N ZINC001211626343 1033579698 /nfs/dbraw/zinc/57/96/98/1033579698.db2.gz CAOQUYCZBAOBJY-UHFFFAOYSA-N -1 0 326.274 3.918 20 0 EHADRM Cc1nc(CN(C)C(=O)c2ccc(Cl)c(Cl)c2[O-])cs1 ZINC000106912134 1033632886 /nfs/dbraw/zinc/63/28/86/1033632886.db2.gz PWGUNQKHQRCKLR-UHFFFAOYSA-N -1 0 331.224 3.736 20 0 EHADRM O=C(Nc1nc(-c2ccc(O)cc2)cs1)c1c([O-])cc(F)cc1F ZINC000608370819 1033641808 /nfs/dbraw/zinc/64/18/08/1033641808.db2.gz JSGGAFGYQSSJFP-UHFFFAOYSA-N -1 0 348.330 3.752 20 0 EHADRM O=C(c1nn(-c2ccccc2)cc1[O-])N1CCCC2(CCCCC2)C1 ZINC000173403621 1033653756 /nfs/dbraw/zinc/65/37/56/1033653756.db2.gz HQWBIOJNPOQHGM-UHFFFAOYSA-N -1 0 339.439 3.764 20 0 EHADRM CCN(C(=O)c1nn(-c2cccc(F)c2)cc1[O-])c1cccc(C)c1 ZINC000550596917 1033680280 /nfs/dbraw/zinc/68/02/80/1033680280.db2.gz BFNYEVTVAMDEBI-UHFFFAOYSA-N -1 0 339.370 3.692 20 0 EHADRM CCC(CC)CN(CC)C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000063810180 1033737633 /nfs/dbraw/zinc/73/76/33/1033737633.db2.gz UQJOXHJYDYKIIO-UHFFFAOYSA-N -1 0 333.457 3.896 20 0 EHADRM CC[C@@]1(C)CCN(C(=O)c2cc(Br)c(F)cc2[O-])C1 ZINC000450100291 1033739431 /nfs/dbraw/zinc/73/94/31/1033739431.db2.gz KCTKEGRSAMOAJS-AWEZNQCLSA-N -1 0 330.197 3.556 20 0 EHADRM CSc1ccc(NC(=O)N2CCCC[C@@H]2C(=O)[O-])cc1Cl ZINC000575015315 1033775044 /nfs/dbraw/zinc/77/50/44/1033775044.db2.gz OXPYXLGZWZUMQS-LLVKDONJSA-N -1 0 328.821 3.533 20 0 EHADRM C[C@@](CC(=O)N[C@H](c1ccccc1)C1CC1)(C(=O)[O-])c1ccccc1 ZINC000326708355 1033839384 /nfs/dbraw/zinc/83/93/84/1033839384.db2.gz YFTRYINSGQSSTK-CTNGQTDRSA-N -1 0 337.419 3.687 20 0 EHADRM C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(c2nc(C(=O)[O-])co2)C1 ZINC000575185231 1033884571 /nfs/dbraw/zinc/88/45/71/1033884571.db2.gz RKUBOMKECJOUBQ-NOZJJQNGSA-N -1 0 340.301 3.979 20 0 EHADRM C/C=C\C[C@H](NC(=O)c1ccc(Cl)cc1SCC)C(=O)[O-] ZINC000575201962 1033888612 /nfs/dbraw/zinc/88/86/12/1033888612.db2.gz DQBKMOQJPBSWDU-FHMRSRPSSA-N -1 0 327.833 3.601 20 0 EHADRM Cc1ccc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000046928722 1033896074 /nfs/dbraw/zinc/89/60/74/1033896074.db2.gz DPQZPXMRCFMGOJ-UHFFFAOYSA-N -1 0 329.830 3.712 20 0 EHADRM C[C@H](Oc1[n-]ncc(=O)c1Cl)c1cccc(Br)c1F ZINC001228387831 1034033140 /nfs/dbraw/zinc/03/31/40/1034033140.db2.gz RKPJNMRIGYHQME-LURJTMIESA-N -1 0 347.571 3.877 20 0 EHADRM Cn1nc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c2c1CCCC2 ZINC000450316222 1034103301 /nfs/dbraw/zinc/10/33/01/1034103301.db2.gz GUYKTSIGDMRHHP-UHFFFAOYSA-N -1 0 340.210 3.564 20 0 EHADRM COC[C@@H](C)Oc1cccc(-c2ccc3c(c2)CC[C@@H]3C(=O)[O-])c1 ZINC000517176468 1034271401 /nfs/dbraw/zinc/27/14/01/1034271401.db2.gz NIOPMNGTNAVLOB-YJYMSZOUSA-N -1 0 326.392 3.882 20 0 EHADRM CCc1cc(C)c(C([O-])=C(C#N)C(=O)N[C@@H](CC)c2ccccc2)o1 ZINC000191809233 1034356101 /nfs/dbraw/zinc/35/61/01/1034356101.db2.gz JTSUFROXGQTMMR-SJORKVTESA-N -1 0 338.407 3.740 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N2C[C@H](c3ccccc3)C[C@H]2C)s1 ZINC000604609871 1034435796 /nfs/dbraw/zinc/43/57/96/1034435796.db2.gz OIMHKILWYGXKDV-UKRRQHHQSA-N -1 0 344.484 3.713 20 0 EHADRM COCCC[C@@H](CN=c1[n-]nc(C(C)C)o1)c1ccc(Cl)cc1 ZINC000450517478 1034456494 /nfs/dbraw/zinc/45/64/94/1034456494.db2.gz FYMHLHAGQZUYOH-AWEZNQCLSA-N -1 0 337.851 3.891 20 0 EHADRM C[C@H](CC(=O)N=c1ccc(C2CC2)n[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000604707752 1034462203 /nfs/dbraw/zinc/46/22/03/1034462203.db2.gz JNEGQHPTOOCMFO-LLVKDONJSA-N -1 0 349.356 3.927 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1cc(F)cc2nc[nH]c21 ZINC000179518549 1034463984 /nfs/dbraw/zinc/46/39/84/1034463984.db2.gz BGXJMCRQZUKWOC-UHFFFAOYSA-N -1 0 340.141 3.967 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)NCc2csc3ccccc23)s[n-]1 ZINC000604801351 1034508142 /nfs/dbraw/zinc/50/81/42/1034508142.db2.gz DBIKOACCIZJGEX-UHFFFAOYSA-N -1 0 346.481 3.794 20 0 EHADRM CCOc1ccc([C@@H](C)NC(=O)N=c2nc(C(C)(C)C)[n-]s2)cc1 ZINC000604801615 1034508494 /nfs/dbraw/zinc/50/84/94/1034508494.db2.gz OGRIJOFHLWRRJA-LLVKDONJSA-N -1 0 348.472 3.539 20 0 EHADRM COCCCCCSc1n[n-]c(=Nc2cccc(F)c2)s1 ZINC000604839951 1034523654 /nfs/dbraw/zinc/52/36/54/1034523654.db2.gz PLBJQBVGCGRFOE-UHFFFAOYSA-N -1 0 327.450 3.752 20 0 EHADRM CN1CCC[C@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)c2ccccc21 ZINC000456604393 1034590362 /nfs/dbraw/zinc/59/03/62/1034590362.db2.gz JSKBBSXMJYFZOJ-HNNXBMFYSA-N -1 0 348.805 3.886 20 0 EHADRM O=C([O-])c1cccnc1N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000647452638 1034590595 /nfs/dbraw/zinc/59/05/95/1034590595.db2.gz FVMAFIRTGZAROY-HNNXBMFYSA-N -1 0 326.400 3.581 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nc3ccsc3s2)c(F)c1 ZINC000605257740 1034671577 /nfs/dbraw/zinc/67/15/77/1034671577.db2.gz KOUPAPCVOCEDIJ-UHFFFAOYSA-N -1 0 328.415 3.606 20 0 EHADRM O=S(=O)([N-]c1nc2ccsc2s1)c1ccc(F)c(Cl)c1 ZINC000605257731 1034672086 /nfs/dbraw/zinc/67/20/86/1034672086.db2.gz JKJLOJGCWHOILO-UHFFFAOYSA-N -1 0 348.833 3.951 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC[C@]2(CCSC2)C1 ZINC000456818775 1034748741 /nfs/dbraw/zinc/74/87/41/1034748741.db2.gz DWMBJSOQOQVVMY-HNNXBMFYSA-N -1 0 329.824 3.544 20 0 EHADRM O=C(N=c1cccn[n-]1)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000605469848 1034750399 /nfs/dbraw/zinc/75/03/99/1034750399.db2.gz BKSMSRRYENSDCJ-UHFFFAOYSA-N -1 0 343.308 3.837 20 0 EHADRM Cc1ccc(C(=O)N[C@H](C)CC(=O)[O-])c(Sc2ccccc2)c1 ZINC000431646632 1034781789 /nfs/dbraw/zinc/78/17/89/1034781789.db2.gz XUPIBJFETRTZEN-CYBMUJFWSA-N -1 0 329.421 3.739 20 0 EHADRM C[C@]1(C(=O)[N-]S(=O)(=O)c2ccccc2F)CCc2ccccc2C1 ZINC000076765761 1034802141 /nfs/dbraw/zinc/80/21/41/1034802141.db2.gz NSXZUUXREZWWBR-SFHVURJKSA-N -1 0 347.411 3.666 20 0 EHADRM O=C(Nc1cccc(F)c1O)C1(Cc2ccc(F)cc2)CCOCC1 ZINC000530006112 1034852427 /nfs/dbraw/zinc/85/24/27/1034852427.db2.gz PEHHIHNDVCEBHT-UHFFFAOYSA-N -1 0 347.361 3.648 20 0 EHADRM Cc1cccc(C)c1CSc1n[n-]c(=NCC(F)(F)F)s1 ZINC000606153550 1034876974 /nfs/dbraw/zinc/87/69/74/1034876974.db2.gz ZJSSDGAYTOSQCN-UHFFFAOYSA-N -1 0 333.404 3.843 20 0 EHADRM Cc1sc([N-]S(=O)(=O)c2ccc(F)c(F)c2)nc1C(C)C ZINC000584480762 1034926479 /nfs/dbraw/zinc/92/64/79/1034926479.db2.gz MPDUEBHPAZIQRC-UHFFFAOYSA-N -1 0 332.397 3.654 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(F)c2O)s1 ZINC000530146044 1035004359 /nfs/dbraw/zinc/00/43/59/1035004359.db2.gz YMDPNEPNLHWKHK-UHFFFAOYSA-N -1 0 329.418 3.691 20 0 EHADRM CC(C)c1cc(Cl)ccc1[N-]S(=O)(=O)c1c(Cl)cnn1C ZINC000530146803 1035006862 /nfs/dbraw/zinc/00/68/62/1035006862.db2.gz QXHGBCHCYNSYNE-UHFFFAOYSA-N -1 0 348.255 3.651 20 0 EHADRM O=C([O-])c1ccc(F)c2c1CN(CCOc1ccccc1Cl)CC2 ZINC000530167188 1035016193 /nfs/dbraw/zinc/01/61/93/1035016193.db2.gz ABEPSJNBDYWXLK-UHFFFAOYSA-N -1 0 349.789 3.614 20 0 EHADRM CC[C@@H]1[C@H](C)CCN1C(=O)c1cc(Br)c(F)cc1[O-] ZINC000451004694 1035023479 /nfs/dbraw/zinc/02/34/79/1035023479.db2.gz WCCBVIANXVXOBB-PRHODGIISA-N -1 0 330.197 3.554 20 0 EHADRM CC[C@@H]1[C@@H](C)CCN1C(=O)c1cc(Br)c(F)cc1[O-] ZINC000451004695 1035024109 /nfs/dbraw/zinc/02/41/09/1035024109.db2.gz WCCBVIANXVXOBB-QPUJVOFHSA-N -1 0 330.197 3.554 20 0 EHADRM CCCCn1ncc([N-]S(=O)(=O)c2cc(C)cs2)c1C(C)C ZINC000451042679 1035042651 /nfs/dbraw/zinc/04/26/51/1035042651.db2.gz QSAHODBLHCZGBA-UHFFFAOYSA-N -1 0 341.502 3.977 20 0 EHADRM CCCCOC1CCN(C(=O)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000570176015 1035111761 /nfs/dbraw/zinc/11/17/61/1035111761.db2.gz OPNHSDVENYJMBP-UHFFFAOYSA-N -1 0 345.361 3.832 20 0 EHADRM O=S(=O)([N-]c1cccc(Cl)n1)c1c(Cl)cccc1Cl ZINC000162265731 1035238402 /nfs/dbraw/zinc/23/84/02/1035238402.db2.gz MLNAITHJOBLORS-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM FC(F)(F)c1nc(=N[C@@H](c2ccccc2)C2CCOCC2)s[n-]1 ZINC000376176246 1035379159 /nfs/dbraw/zinc/37/91/59/1035379159.db2.gz ZSKXQQNLZHWQSW-LBPRGKRZSA-N -1 0 343.374 3.559 20 0 EHADRM CO[C@H](C)c1nc(=Nc2ccc3nc(C4CC4)sc3c2)s[n-]1 ZINC000549001966 1035439090 /nfs/dbraw/zinc/43/90/90/1035439090.db2.gz QJZXQDRHMAIYIB-MRVPVSSYSA-N -1 0 332.454 3.898 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc(F)cc2cccnc21)C1CCCCC1 ZINC000431795491 1035540707 /nfs/dbraw/zinc/54/07/07/1035540707.db2.gz POQLZJHVFQXBCL-INIZCTEOSA-N -1 0 344.386 3.527 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2O)cc1Cl ZINC000463515825 1035596352 /nfs/dbraw/zinc/59/63/52/1035596352.db2.gz KPCVBACIZNDJGP-UHFFFAOYSA-N -1 0 343.857 3.877 20 0 EHADRM CCOc1cc(C(=O)N[C@@H](CC(=O)[O-])C2CCCCC2)ccc1C ZINC000540716039 1035603100 /nfs/dbraw/zinc/60/31/00/1035603100.db2.gz YNKNPNWEADKBPU-INIZCTEOSA-N -1 0 333.428 3.547 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)COc1cc(C)ccc1C(C)C ZINC000540711332 1035615869 /nfs/dbraw/zinc/61/58/69/1035615869.db2.gz IEINVTUSKLXNBD-UHFFFAOYSA-N -1 0 335.444 3.647 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC000431811950 1035643536 /nfs/dbraw/zinc/64/35/36/1035643536.db2.gz RQKIJJLUIRRKED-FOSCPCJNSA-N -1 0 329.440 3.925 20 0 EHADRM C[C@](Cc1ccccc1)(NC(=O)c1cc(F)c([O-])c(F)c1)C1CC1 ZINC000457043183 1035650987 /nfs/dbraw/zinc/65/09/87/1035650987.db2.gz LYNKVCKQZZBPIA-LJQANCHMSA-N -1 0 331.362 3.812 20 0 EHADRM Cc1ccc2nc(C)c(C(=O)N3CCC(CCC(=O)[O-])CC3)cc2c1 ZINC000540783286 1035677282 /nfs/dbraw/zinc/67/72/82/1035677282.db2.gz VQXNCZBBUQWFIE-UHFFFAOYSA-N -1 0 340.423 3.569 20 0 EHADRM Cc1cccc(C)c1CN=c1[n-]nc(Cc2ccc(Cl)cc2)o1 ZINC000540792386 1035687127 /nfs/dbraw/zinc/68/71/27/1035687127.db2.gz AVKFLWCKXPMVPH-UHFFFAOYSA-N -1 0 327.815 3.965 20 0 EHADRM CCCCCc1n[n-]c(=NCc2cnc3ccc(Cl)cn23)s1 ZINC000540807074 1035700501 /nfs/dbraw/zinc/70/05/01/1035700501.db2.gz OFVATBPPHXXHOW-UHFFFAOYSA-N -1 0 335.864 3.606 20 0 EHADRM C[C@H](N=c1[n-]c(-c2ccccc2)no1)c1ccc(NC(=O)C2CC2)cc1 ZINC000588160202 1035731756 /nfs/dbraw/zinc/73/17/56/1035731756.db2.gz OJBADFQCFGUSMF-ZDUSSCGKSA-N -1 0 348.406 3.680 20 0 EHADRM CCCC[C@@H](NC(=O)Nc1ccc(OC2CCC2)c(F)c1)C(=O)[O-] ZINC000571790030 1035754408 /nfs/dbraw/zinc/75/44/08/1035754408.db2.gz IGAWQEKYXIYKRH-CQSZACIVSA-N -1 0 338.379 3.522 20 0 EHADRM CC(C)(C)c1nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2s1 ZINC000173997934 1035809721 /nfs/dbraw/zinc/80/97/21/1035809721.db2.gz DPANBEAYRGUJTQ-UHFFFAOYSA-N -1 0 347.465 3.790 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cnn(C(F)F)c2)cc1 ZINC000463779224 1035846206 /nfs/dbraw/zinc/84/62/06/1035846206.db2.gz GHXUBRPLDFHMNY-UHFFFAOYSA-N -1 0 343.399 3.767 20 0 EHADRM COc1ccc(Cl)c(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000321478770 1035892014 /nfs/dbraw/zinc/89/20/14/1035892014.db2.gz QXQASJLFXUFAEY-LLVKDONJSA-N -1 0 340.807 3.600 20 0 EHADRM CC[C@@H](C)n1ncc(C(=O)Nc2ccc(F)c(F)c2[O-])c1C1CC1 ZINC000457304105 1035961535 /nfs/dbraw/zinc/96/15/35/1035961535.db2.gz YEPQFUFMUAKHTE-SECBINFHSA-N -1 0 335.354 3.968 20 0 EHADRM COc1nc(C(F)(F)F)ccc1-c1ccc(CC(=O)[O-])c(C)c1 ZINC000572060457 1035963809 /nfs/dbraw/zinc/96/38/09/1035963809.db2.gz WXCWITMNNPKMKT-UHFFFAOYSA-N -1 0 325.286 3.712 20 0 EHADRM C/C=C\C[C@@H](NC(=O)Nc1ccc(OC2CCCC2)cc1)C(=O)[O-] ZINC000572198961 1036038201 /nfs/dbraw/zinc/03/82/01/1036038201.db2.gz YHTOKTTURKUNSH-RXYHWBRQSA-N -1 0 332.400 3.549 20 0 EHADRM O=S(=O)([N-]c1nc2ccsc2s1)c1cc(F)cc(Cl)c1 ZINC000535137382 1036065902 /nfs/dbraw/zinc/06/59/02/1036065902.db2.gz JTJMPQZDUWKDRB-UHFFFAOYSA-N -1 0 348.833 3.951 20 0 EHADRM C[C@@H](Oc1cccc(-c2cccc(CO[C@H]3CCOC3)c2)c1)C(=O)[O-] ZINC000572379648 1036093052 /nfs/dbraw/zinc/09/30/52/1036093052.db2.gz MOHFQDNLMNJQCV-KUHUBIRLSA-N -1 0 342.391 3.511 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)nc2)s1 ZINC000588832184 1036115494 /nfs/dbraw/zinc/11/54/94/1036115494.db2.gz DYEKINGBKUESIU-UHFFFAOYSA-N -1 0 338.454 3.574 20 0 EHADRM Cn1ccc2c1cccc2NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000588911244 1036175427 /nfs/dbraw/zinc/17/54/27/1036175427.db2.gz VKTIYJZLXKNKNY-FQEVSTJZSA-N -1 0 336.391 3.549 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000321306778 1036234272 /nfs/dbraw/zinc/23/42/72/1036234272.db2.gz NSNIRQVILJSECT-WOSRLPQWSA-N -1 0 335.831 3.895 20 0 EHADRM Cc1noc(C)c1CCNC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000175224349 1036266529 /nfs/dbraw/zinc/26/65/29/1036266529.db2.gz GZEYFUSITFVFPD-UHFFFAOYSA-N -1 0 344.798 3.776 20 0 EHADRM Cc1n[n-]c(=NCCc2csc(-c3ccc(Cl)cc3)n2)s1 ZINC000535361034 1036389437 /nfs/dbraw/zinc/38/94/37/1036389437.db2.gz BBXXPSFIVSGCGP-UHFFFAOYSA-N -1 0 336.873 3.700 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)Nc1nc(C2CC2)cs1 ZINC000323962091 1036438304 /nfs/dbraw/zinc/43/83/04/1036438304.db2.gz AGBJFFLGHWVTAW-LBPRGKRZSA-N -1 0 337.445 3.566 20 0 EHADRM C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1 ZINC000572641582 1036443189 /nfs/dbraw/zinc/44/31/89/1036443189.db2.gz OGQRPWLUJQGVRZ-VIZZQPHQSA-N -1 0 345.439 3.686 20 0 EHADRM c1ccc(OCCc2n[n-]c(=NCc3ccc(C4CC4)cc3)o2)cc1 ZINC000414287683 1036455995 /nfs/dbraw/zinc/45/59/95/1036455995.db2.gz FCPWHFIGLSIUNN-UHFFFAOYSA-N -1 0 335.407 3.603 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000261947144 1036461381 /nfs/dbraw/zinc/46/13/81/1036461381.db2.gz VUOWSEWMOZMFNJ-XBFCOCLRSA-N -1 0 341.329 3.563 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)c(F)c1 ZINC000404893167 1036475332 /nfs/dbraw/zinc/47/53/32/1036475332.db2.gz DNHAGXHCEBDGCS-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM Cc1cc(C(=O)N=c2nc(C(C)(C)C)[n-]s2)c(Cl)cc1F ZINC000470378727 1036490557 /nfs/dbraw/zinc/49/05/57/1036490557.db2.gz FHQPTWFQONFHHT-UHFFFAOYSA-N -1 0 327.812 3.611 20 0 EHADRM Cc1cc(F)c(CN=c2[n-]nc(CC(F)(F)F)s2)c(Cl)c1 ZINC000414293810 1036495034 /nfs/dbraw/zinc/49/50/34/1036495034.db2.gz MRZSDHWHIVWAGX-UHFFFAOYSA-N -1 0 339.745 3.778 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)COCc3ccccc3)ccc2s1 ZINC000192537793 1036525599 /nfs/dbraw/zinc/52/55/99/1036525599.db2.gz FBJMNZDBUCTRNU-UHFFFAOYSA-N -1 0 341.388 3.755 20 0 EHADRM O=S(=O)([N-]c1cccc2c1OCCC2)c1ccc2ccccc2c1 ZINC000464541929 1036547237 /nfs/dbraw/zinc/54/72/37/1036547237.db2.gz XUHFVRCEGNUAFK-UHFFFAOYSA-N -1 0 339.416 3.966 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000013256204 1036601305 /nfs/dbraw/zinc/60/13/05/1036601305.db2.gz XXJLAVGTMVWQMN-UHFFFAOYSA-N -1 0 341.697 3.892 20 0 EHADRM CN(CCC(=O)[O-])C(=O)Nc1cc(F)c(SC(C)(C)C)c(F)c1 ZINC000263184190 1036602547 /nfs/dbraw/zinc/60/25/47/1036602547.db2.gz UPNUOEACTGBJKZ-UHFFFAOYSA-N -1 0 346.399 3.794 20 0 EHADRM CC[C@H]1CC[C@H](C(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)CC1 ZINC000263177504 1036605996 /nfs/dbraw/zinc/60/59/96/1036605996.db2.gz LHACEBDVXSLEKN-DKIMLUQUSA-N -1 0 329.440 3.530 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000263199007 1036625517 /nfs/dbraw/zinc/62/55/17/1036625517.db2.gz YKNBBDCRWSYDFV-MNOVXSKESA-N -1 0 333.771 3.535 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000263218493 1036650130 /nfs/dbraw/zinc/65/01/30/1036650130.db2.gz OOFCVQPXTYQUFI-ONGXEEELSA-N -1 0 335.400 3.674 20 0 EHADRM CC(C)(C)c1nn(-c2ccccc2)cc1/C=C/c1cc(C(=O)[O-])ncn1 ZINC000535591877 1036694272 /nfs/dbraw/zinc/69/42/72/1036694272.db2.gz GVCYMXSQCBGDGO-MDZDMXLPSA-N -1 0 348.406 3.828 20 0 EHADRM CC(C)[C@@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1F ZINC000263333946 1036794279 /nfs/dbraw/zinc/79/42/79/1036794279.db2.gz QMGHLEHDCIMBOS-JRPNMDOOSA-N -1 0 341.810 3.793 20 0 EHADRM C[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])c1ccsc1 ZINC000669918449 1036796272 /nfs/dbraw/zinc/79/62/72/1036796272.db2.gz HCVUZCBYPUBRKM-SNVBAGLBSA-N -1 0 347.827 3.784 20 0 EHADRM CCC(CC)(C(=O)N[C@@H](C)[C@H](C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000263410799 1036879459 /nfs/dbraw/zinc/87/94/59/1036879459.db2.gz GZMFIXKPJBAFCS-RYUDHWBXSA-N -1 0 325.836 3.623 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 ZINC000653281490 1036891350 /nfs/dbraw/zinc/89/13/50/1036891350.db2.gz LCPKQAUOZSZQJE-UHFFFAOYSA-N -1 0 330.384 3.788 20 0 EHADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)Nc2ccc(C)cc2C)cc1 ZINC000237721861 1036893963 /nfs/dbraw/zinc/89/39/63/1036893963.db2.gz FISALJDYTXDWDY-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN1C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000263459882 1036949089 /nfs/dbraw/zinc/94/90/89/1036949089.db2.gz PTIGRIQHBZZZIJ-MQIPJXDCSA-N -1 0 342.222 3.563 20 0 EHADRM COC(=O)c1ccc(=NC(c2cccc(C)c2)c2cccc(C)c2)[n-]n1 ZINC000610647768 1036960501 /nfs/dbraw/zinc/96/05/01/1036960501.db2.gz OLBASDNEJSVPJK-UHFFFAOYSA-N -1 0 347.418 3.503 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@H](CC(=O)[O-])C1CCCCC1 ZINC000539608145 1036969928 /nfs/dbraw/zinc/96/99/28/1036969928.db2.gz SGMCZLGYVQMRJX-RBSFLKMASA-N -1 0 335.469 3.700 20 0 EHADRM CCOc1cc(-c2ccccc2)sc1C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-] ZINC000263483546 1036977550 /nfs/dbraw/zinc/97/75/50/1036977550.db2.gz VANNNTHNHYMPQX-NEPJUHHUSA-N -1 0 347.436 3.653 20 0 EHADRM CCC[C@@H](C)CC(=O)Nc1cccc(-n2ncc(C(=O)[O-])c2C)c1 ZINC000263502824 1037014983 /nfs/dbraw/zinc/01/49/83/1037014983.db2.gz ZJTZYHAMAQTBBN-GFCCVEGCSA-N -1 0 329.400 3.644 20 0 EHADRM COc1ccc2ccccc2c1CN=c1[n-]nc(CC(C)(C)C)o1 ZINC000539693544 1037082563 /nfs/dbraw/zinc/08/25/63/1037082563.db2.gz GGMZOMKMKGZBQE-UHFFFAOYSA-N -1 0 325.412 3.854 20 0 EHADRM CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)[N-]OCCC(F)(F)F ZINC000162935943 1037082646 /nfs/dbraw/zinc/08/26/46/1037082646.db2.gz HQYXBASPTICDMW-LBPRGKRZSA-N -1 0 339.741 3.744 20 0 EHADRM CCCCc1n[n-]c(=NCc2ccc(OC(F)F)c(F)c2)s1 ZINC000539708954 1037099175 /nfs/dbraw/zinc/09/91/75/1037099175.db2.gz LSQDNYJMFDYWBF-UHFFFAOYSA-N -1 0 331.363 3.655 20 0 EHADRM CC(C)C[C@H](C(=O)[O-])[S@](=O)Cc1nc(C2CCCCC2)cs1 ZINC000590900991 1037131084 /nfs/dbraw/zinc/13/10/84/1037131084.db2.gz OAIJTBMIAKGOGC-JLCFBVMHSA-N -1 0 343.514 3.939 20 0 EHADRM CCC[C@@H](C(=O)[O-])[S@](=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000590900696 1037131191 /nfs/dbraw/zinc/13/11/91/1037131191.db2.gz CSOLWMNZTSTQQT-WVDJIFEKSA-N -1 0 328.739 3.720 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c1 ZINC000539748469 1037149919 /nfs/dbraw/zinc/14/99/19/1037149919.db2.gz OBWXQFKPZOKSOL-NSHDSACASA-N -1 0 333.771 3.654 20 0 EHADRM CC(C)Oc1ccccc1[C@H](C)NC(=O)c1ccc2[nH][nH]c(=O)c2c1 ZINC000666511605 1037157918 /nfs/dbraw/zinc/15/79/18/1037157918.db2.gz JEIWJAZPYHKWRU-LBPRGKRZSA-N -1 0 339.395 3.547 20 0 EHADRM CC(C)(C)C[C@@H]([N-]S(=O)(=O)CCCC(F)(F)F)C(F)(F)F ZINC000539767769 1037167793 /nfs/dbraw/zinc/16/77/93/1037167793.db2.gz HWWSAMXRECVUOW-MRVPVSSYSA-N -1 0 343.333 3.615 20 0 EHADRM O=C(N=c1nc(-c2ccccc2Cl)[n-]s1)C12CCC(CC1)C2 ZINC000542214581 1037172999 /nfs/dbraw/zinc/17/29/99/1037172999.db2.gz RMGVMDPBSMHWNU-UHFFFAOYSA-N -1 0 333.844 3.799 20 0 EHADRM CCN(C(=O)NCc1cccc(C(=O)[O-])c1)[C@@H](C)c1ccc(F)cc1 ZINC000666566496 1037214113 /nfs/dbraw/zinc/21/41/13/1037214113.db2.gz PVWNZEOTCGVMKB-ZDUSSCGKSA-N -1 0 344.386 3.817 20 0 EHADRM Cc1ccccc1[C@H]1CCCN1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000666565841 1037215062 /nfs/dbraw/zinc/21/50/62/1037215062.db2.gz BOGWLIMQODDXBC-GOSISDBHSA-N -1 0 338.407 3.740 20 0 EHADRM O=C([O-])CCCCNC(=O)NC[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000666550764 1037216815 /nfs/dbraw/zinc/21/68/15/1037216815.db2.gz LDLCMLLMZZPFCA-DLBZAZTESA-N -1 0 332.444 3.515 20 0 EHADRM CCC(CC)(CC(=O)Nc1cccc(OC(F)(F)F)c1)C(=O)[O-] ZINC000024940776 1037253351 /nfs/dbraw/zinc/25/33/51/1037253351.db2.gz DHVHJHCMVMFMFL-UHFFFAOYSA-N -1 0 333.306 3.805 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000659119303 1037285657 /nfs/dbraw/zinc/28/56/57/1037285657.db2.gz OCHUMIYJHLQNPP-IINYFYTJSA-N -1 0 343.379 3.807 20 0 EHADRM O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(F)c([O-])c(F)c1 ZINC000176959560 1037288640 /nfs/dbraw/zinc/28/86/40/1037288640.db2.gz KJUWFDSWQOMWRE-UHFFFAOYSA-N -1 0 333.212 3.821 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)NCc1ccccc1OC1CCCC1 ZINC000659120504 1037310562 /nfs/dbraw/zinc/31/05/62/1037310562.db2.gz WRSCJVKRTSVLPL-UHFFFAOYSA-N -1 0 343.379 3.538 20 0 EHADRM O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1cc(F)cc(Cl)c1[O-] ZINC000177004386 1037320732 /nfs/dbraw/zinc/32/07/32/1037320732.db2.gz OAZGWWDHTRZSBU-UHFFFAOYSA-N -1 0 348.761 3.786 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1cc(F)c([O-])c(F)c1)Nc1ccccc1 ZINC000177010279 1037321655 /nfs/dbraw/zinc/32/16/55/1037321655.db2.gz UDSWGFXQGZSFNH-MRXNPFEDSA-N -1 0 334.366 3.537 20 0 EHADRM Cc1ccc([C@H]2CCN(C(=O)N=c3nc(C(C)(C)C)[n-]s3)C2)cc1 ZINC000542376522 1037331580 /nfs/dbraw/zinc/33/15/80/1037331580.db2.gz NRZZUHYSFLSRMH-AWEZNQCLSA-N -1 0 344.484 3.587 20 0 EHADRM CCCCCc1cc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)n[nH]1 ZINC000659137246 1037350139 /nfs/dbraw/zinc/35/01/39/1037350139.db2.gz VTUTZWBHNSWTMI-UHFFFAOYSA-N -1 0 343.427 3.757 20 0 EHADRM O=C(NCCOc1cccc2ccccc21)c1cc(F)c([O-])c(F)c1 ZINC000177087466 1037361293 /nfs/dbraw/zinc/36/12/93/1037361293.db2.gz BAHKFDZGCJIEBA-UHFFFAOYSA-N -1 0 343.329 3.632 20 0 EHADRM O=C(c1ccc(O)c(F)c1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000669933773 1037368939 /nfs/dbraw/zinc/36/89/39/1037368939.db2.gz VKVGFUDMWBKXPI-ZDUSSCGKSA-N -1 0 331.309 3.726 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1cc2cc(Cl)ccc2s1 ZINC000659151954 1037374013 /nfs/dbraw/zinc/37/40/13/1037374013.db2.gz NBUSREIFOXCKFJ-BCQZVRRWSA-N -1 0 349.839 3.880 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1cc(Cl)cc2ccccc21 ZINC000659151998 1037375740 /nfs/dbraw/zinc/37/57/40/1037375740.db2.gz NKILNKPKBKMDSL-MJEQTWJJSA-N -1 0 343.810 3.819 20 0 EHADRM O=C([O-])CC1(CC(=O)NC[C@H]2C[C@@H]2c2ccccc2)CCCCC1 ZINC000647600085 1037420466 /nfs/dbraw/zinc/42/04/66/1037420466.db2.gz XIGSHXCWCQSSIU-IAGOWNOFSA-N -1 0 329.440 3.722 20 0 EHADRM O=C([O-])c1ccc2c(c1)[C@@H](CNC(=O)C1(c3ccccc3)CC1)CCC2 ZINC000659183476 1037435753 /nfs/dbraw/zinc/43/57/53/1037435753.db2.gz AIOYVDFQBFGMHT-QGZVFWFLSA-N -1 0 349.430 3.653 20 0 EHADRM Cc1ccc(SCC(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)cc1 ZINC000659196842 1037454839 /nfs/dbraw/zinc/45/48/39/1037454839.db2.gz YEAKDMKHMCKJLO-IXDOHACOSA-N -1 0 347.480 3.579 20 0 EHADRM CCc1sc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)cc1C ZINC000659193132 1037459199 /nfs/dbraw/zinc/45/91/99/1037459199.db2.gz IGCFXRQFVWGGKC-IHRRRGAJSA-N -1 0 335.469 3.724 20 0 EHADRM C[C@H](CC(=O)NC[C@@H](CC(=O)[O-])C1CC1)Cc1ccc(Cl)cc1 ZINC000659208849 1037478113 /nfs/dbraw/zinc/47/81/13/1037478113.db2.gz LLXYRNPEHUABDM-SWLSCSKDSA-N -1 0 337.847 3.526 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000659224275 1037518912 /nfs/dbraw/zinc/51/89/12/1037518912.db2.gz JGMBOZREFHTSRP-DAYGRLMNSA-N -1 0 331.456 3.873 20 0 EHADRM C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)CC[C@@H]1C(=O)[O-] ZINC000659224244 1037519573 /nfs/dbraw/zinc/51/95/73/1037519573.db2.gz GCFRCYLTCSBQAT-MAAHGYRXSA-N -1 0 337.419 3.513 20 0 EHADRM CN(C(=O)c1ccc(-c2ccc(F)cc2)cc1F)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659231541 1037554751 /nfs/dbraw/zinc/55/47/51/1037554751.db2.gz SJHGJDUJWRIKTM-OTVXOJSOSA-N -1 0 345.345 3.567 20 0 EHADRM CC(C)(CC(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1)C(=O)[O-] ZINC000401344842 1037563314 /nfs/dbraw/zinc/56/33/14/1037563314.db2.gz WXCBNHXOVRJYKW-UHFFFAOYSA-N -1 0 339.697 3.678 20 0 EHADRM CCCc1nc(=NC(=O)N[C@H](CC)c2ccc(Cl)s2)s[n-]1 ZINC000573490417 1037584260 /nfs/dbraw/zinc/58/42/60/1037584260.db2.gz TWVQIMIKJGXADO-MRVPVSSYSA-N -1 0 344.893 3.900 20 0 EHADRM C[C@@H](CC(=O)c1ccccc1)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000151725230 1037589163 /nfs/dbraw/zinc/58/91/63/1037589163.db2.gz CLXWUNINCSVDKF-NSHDSACASA-N -1 0 340.404 3.508 20 0 EHADRM O=S(=O)([N-]c1ccc(F)nc1)c1cc2cc(Cl)ccc2s1 ZINC000152850032 1037764938 /nfs/dbraw/zinc/76/49/38/1037764938.db2.gz ZZGSSZQAWUXKHP-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM Cc1ccc(CCCC(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC000669434611 1037832009 /nfs/dbraw/zinc/83/20/09/1037832009.db2.gz HMGNJSYCXIEKIC-MRXNPFEDSA-N -1 0 343.448 3.984 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000669434571 1037850507 /nfs/dbraw/zinc/85/05/07/1037850507.db2.gz UIEQFUMMYPPHNQ-ZACQAIPSSA-N -1 0 339.366 3.534 20 0 EHADRM Cc1ccc2c(CC(=O)N3CC[C@@H](C(=O)[O-])c4ccccc43)coc2c1 ZINC000669436786 1037861558 /nfs/dbraw/zinc/86/15/58/1037861558.db2.gz ICALGJDOEREPDV-QGZVFWFLSA-N -1 0 349.386 3.889 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)cc1C ZINC000303958653 1037902790 /nfs/dbraw/zinc/90/27/90/1037902790.db2.gz LURRYLZDSJSMDI-UHFFFAOYSA-N -1 0 345.342 3.845 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)NCC2(C(=O)[O-])CCC2)cc1 ZINC000532611899 1037917134 /nfs/dbraw/zinc/91/71/34/1037917134.db2.gz IRPSARVHSNDPPL-UHFFFAOYSA-N -1 0 329.421 3.708 20 0 EHADRM COc1ccc(Cl)cc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000183292504 1037939869 /nfs/dbraw/zinc/93/98/69/1037939869.db2.gz MFSPQCRTGOWXBC-UHFFFAOYSA-N -1 0 331.677 3.724 20 0 EHADRM CC(C)(CNC(=O)c1cc(F)c(F)c([O-])c1F)c1ccccc1F ZINC000183530341 1037952338 /nfs/dbraw/zinc/95/23/38/1037952338.db2.gz ONPOBSWVGKMNEX-UHFFFAOYSA-N -1 0 341.304 3.656 20 0 EHADRM C[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)C(C)(C)c1ccccc1 ZINC000183557291 1037955031 /nfs/dbraw/zinc/95/50/31/1037955031.db2.gz KHNIHFJROXRECI-SNVBAGLBSA-N -1 0 337.341 3.906 20 0 EHADRM CC[C@H](c1n[n-]c(=NC(=O)NC[C@@H](C)C2CC2)s1)c1ccccc1 ZINC000592505713 1038011925 /nfs/dbraw/zinc/01/19/25/1038011925.db2.gz BOVBIKKJNPLPFJ-DOMZBBRYSA-N -1 0 344.484 3.670 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-]c2nc3ccccc3s2)cc1F ZINC000184187480 1038014765 /nfs/dbraw/zinc/01/47/65/1038014765.db2.gz RXSKSVPMSMMAIQ-UHFFFAOYSA-N -1 0 336.413 3.686 20 0 EHADRM c1ccc(-c2nc(=N[C@@H](c3ccccc3)[C@@H]3CCOC3)s[n-]2)cc1 ZINC000540596502 1038128504 /nfs/dbraw/zinc/12/85/04/1038128504.db2.gz BHXQHRSYESHAIV-SJORKVTESA-N -1 0 337.448 3.817 20 0 EHADRM CC[C@H](C)Oc1ccc(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)cc1 ZINC000659146379 1038189899 /nfs/dbraw/zinc/18/98/99/1038189899.db2.gz RXEMNDSKHZQSLZ-ZDUSSCGKSA-N -1 0 331.412 3.838 20 0 EHADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC2(CC2)C1 ZINC000659146629 1038226727 /nfs/dbraw/zinc/22/67/27/1038226727.db2.gz ODBMHZUPEGMXFY-IAGOWNOFSA-N -1 0 329.440 3.549 20 0 EHADRM CC(C)(C(=O)Nc1cc(F)cc(Cl)c1[O-])C1CCC(O)CC1 ZINC000416207774 1038344872 /nfs/dbraw/zinc/34/48/72/1038344872.db2.gz YJENHEXMNKDRLJ-UHFFFAOYSA-N -1 0 329.799 3.701 20 0 EHADRM CC(C)(C)Cc1n[n-]c(=NCc2ccc(F)c(Br)c2)o1 ZINC000538593690 1038406046 /nfs/dbraw/zinc/40/60/46/1038406046.db2.gz CDOJTEAMXTYENF-UHFFFAOYSA-N -1 0 342.212 3.594 20 0 EHADRM Cc1ccccc1CS(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F ZINC000538668915 1038462702 /nfs/dbraw/zinc/46/27/02/1038462702.db2.gz UQBKGUDFQROWDL-CYBMUJFWSA-N -1 0 337.407 3.782 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCSC[C@@H]1C1CCC1 ZINC000416323908 1038533085 /nfs/dbraw/zinc/53/30/85/1038533085.db2.gz HESZCXVLSWBZGY-CYBMUJFWSA-N -1 0 329.824 3.542 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N[C@@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000455917737 1038543839 /nfs/dbraw/zinc/54/38/39/1038543839.db2.gz IQYGDCPELHMBMS-BBRMVZONSA-N -1 0 343.423 3.773 20 0 EHADRM O=S(=O)([N-]c1cncc2ccccc21)c1ccc(Cl)cc1F ZINC000538938708 1038604558 /nfs/dbraw/zinc/60/45/58/1038604558.db2.gz HQWJUQJSGKXBCU-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM CCCc1nc(=N[C@H](C)c2ccc(OC(C)C)c(OC)c2)s[n-]1 ZINC000461778357 1038605734 /nfs/dbraw/zinc/60/57/34/1038605734.db2.gz PCTNQEDJPVYDGF-GFCCVEGCSA-N -1 0 335.473 3.881 20 0 EHADRM COCC1(CSc2n[n-]c(=Nc3ccccc3F)s2)CCC1 ZINC000460869298 1038620367 /nfs/dbraw/zinc/62/03/67/1038620367.db2.gz OIWLKWHZZAPSPR-UHFFFAOYSA-N -1 0 339.461 3.752 20 0 EHADRM CCc1ccc(C2=CCN(C(=O)N=c3ccc(C4CC4)n[n-]3)CC2)cc1 ZINC000539008164 1038636387 /nfs/dbraw/zinc/63/63/87/1038636387.db2.gz IEMRQPUYWXGIGO-UHFFFAOYSA-N -1 0 348.450 3.660 20 0 EHADRM C[C@@]1(NC(=O)c2ccc(-c3ccc(F)cc3)o2)CCCC[C@H]1C(=O)[O-] ZINC000431886302 1038757591 /nfs/dbraw/zinc/75/75/91/1038757591.db2.gz DBQOUBWCFRKVHD-IFXJQAMLSA-N -1 0 345.370 3.849 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)N=c3[n-]nc(C(C)(C)C)s3)cc2C1 ZINC000615152135 1038769874 /nfs/dbraw/zinc/76/98/74/1038769874.db2.gz BHHBPFJZZFMDNS-SECBINFHSA-N -1 0 335.498 3.696 20 0 EHADRM Cc1cc(C)cc(C2(C(=O)N(C)Cc3ccc(C(=O)[O-])cc3)CC2)c1 ZINC000261638726 1038776808 /nfs/dbraw/zinc/77/68/08/1038776808.db2.gz KNUDOTPXTBEINX-UHFFFAOYSA-N -1 0 337.419 3.692 20 0 EHADRM O=C([O-])Cc1occc1C(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000910241959 1038783713 /nfs/dbraw/zinc/78/37/13/1038783713.db2.gz NMBMOVKUAXERID-UHFFFAOYSA-N -1 0 343.379 3.871 20 0 EHADRM O=C([O-])c1csc([C@H]2CCCN2c2nccc3sccc32)n1 ZINC000910315358 1038823901 /nfs/dbraw/zinc/82/39/01/1038823901.db2.gz PKKXHYKXGGTMNB-LLVKDONJSA-N -1 0 331.422 3.793 20 0 EHADRM O=C([O-])CCC(=O)N[C@@H](CCCc1ccccc1)c1ccccc1 ZINC000554069653 1038850980 /nfs/dbraw/zinc/85/09/80/1038850980.db2.gz AWEPPABGSMQOKD-SFHVURJKSA-N -1 0 325.408 3.732 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N2C[C@@H](C)C[C@H]2c2ccccc2)s1 ZINC000554052646 1038857966 /nfs/dbraw/zinc/85/79/66/1038857966.db2.gz QBWUJRRKZNRAPJ-ZFWWWQNUSA-N -1 0 344.484 3.774 20 0 EHADRM CCC(=O)c1ccc(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)cc1 ZINC001213194954 1038859693 /nfs/dbraw/zinc/85/96/93/1038859693.db2.gz ZPQQLKDIENGSDX-UHFFFAOYSA-N -1 0 340.379 3.826 20 0 EHADRM Cc1cccc([C@@H](NCc2noc(C3CCCCC3)n2)C(=O)[O-])c1C ZINC000905403000 1038860014 /nfs/dbraw/zinc/86/00/14/1038860014.db2.gz YEOVGRFKLAXKGL-QGZVFWFLSA-N -1 0 343.427 3.650 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)c2cccc3c2CCCC3)c2ccccc21 ZINC000910366345 1038862627 /nfs/dbraw/zinc/86/26/27/1038862627.db2.gz ARFTWEHQXVCUJY-OAHLLOKOSA-N -1 0 335.403 3.784 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)CCc2ccc(F)cc2F)c2ccccc21 ZINC000910367492 1038866482 /nfs/dbraw/zinc/86/64/82/1038866482.db2.gz SHNSANNNEZMRFX-ZDUSSCGKSA-N -1 0 345.345 3.503 20 0 EHADRM CC(C)c1scnc1[N-]S(=O)(=O)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000641688125 1038886654 /nfs/dbraw/zinc/88/66/54/1038886654.db2.gz XHXNDXDFIOTUBA-OLZOCXBDSA-N -1 0 340.445 3.703 20 0 EHADRM C[C@H]1CN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)Cc2ccccc21 ZINC000910382535 1038889157 /nfs/dbraw/zinc/88/91/57/1038889157.db2.gz ZWHGXZVAOCHLJC-JAGHRAMZSA-N -1 0 327.424 3.558 20 0 EHADRM Cc1ccc(SCCC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000325247992 1038909786 /nfs/dbraw/zinc/90/97/86/1038909786.db2.gz GFHYWROJWFXGRY-OAHLLOKOSA-N -1 0 349.496 3.827 20 0 EHADRM C[C@H](Nc1ncc(C(F)(F)F)s1)c1ccc(OCC(=O)[O-])cc1 ZINC000910466869 1038925994 /nfs/dbraw/zinc/92/59/94/1038925994.db2.gz NWAUZFSTVGTJNG-QMMMGPOBSA-N -1 0 346.330 3.798 20 0 EHADRM COc1ccnc(Br)c1Nc1ccc(C(=O)[O-])c(C)c1 ZINC001211652647 1038936374 /nfs/dbraw/zinc/93/63/74/1038936374.db2.gz JEMHTSQQCCTNEL-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1ccc(COC(C)C)cc1 ZINC000910512239 1038940099 /nfs/dbraw/zinc/94/00/99/1038940099.db2.gz YMYXETPWNDXYFM-UHFFFAOYSA-N -1 0 349.471 3.821 20 0 EHADRM Clc1ccccc1-c1n[n-]c(=N[C@H](C2CC2)C2CCOCC2)s1 ZINC000651403357 1038949665 /nfs/dbraw/zinc/94/96/65/1038949665.db2.gz RYMXXWGWJBBATQ-OAHLLOKOSA-N -1 0 349.887 3.898 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1ccc(C(F)F)cc1F ZINC000910505258 1038951141 /nfs/dbraw/zinc/95/11/41/1038951141.db2.gz YPHVCDVXISDIOP-UHFFFAOYSA-N -1 0 345.361 3.972 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C[C@]12CCCC[C@H]1C2(F)F ZINC000910503898 1038952566 /nfs/dbraw/zinc/95/25/66/1038952566.db2.gz HXDGDONOMOSDIT-CXAGYDPISA-N -1 0 345.430 3.797 20 0 EHADRM COc1c(Br)cccc1Nc1ccsc1C(=O)[O-] ZINC001215396145 1038972226 /nfs/dbraw/zinc/97/22/26/1038972226.db2.gz YFPHZYOOXRWXIM-UHFFFAOYSA-N -1 0 328.187 3.961 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)CCO[C@H](C)CC(C)C ZINC000910618366 1038992559 /nfs/dbraw/zinc/99/25/59/1038992559.db2.gz GTSAAGBGHPHORQ-CYBMUJFWSA-N -1 0 337.416 3.563 20 0 EHADRM CC(C)[C@@H](CC(=O)Nc1ncc(CC(=O)[O-])s1)c1ccccc1 ZINC000910671001 1039012927 /nfs/dbraw/zinc/01/29/27/1039012927.db2.gz GTJBFLFWRZWYAP-CQSZACIVSA-N -1 0 332.425 3.539 20 0 EHADRM O=C([O-])c1cc(NC(=O)C2(C(F)F)CCC2)ccc1Br ZINC000910701965 1039027449 /nfs/dbraw/zinc/02/74/49/1039027449.db2.gz ATPLTJLHCHDODR-UHFFFAOYSA-N -1 0 348.143 3.521 20 0 EHADRM CC(C)(C)c1ccc(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)nc1 ZINC000910740751 1039047446 /nfs/dbraw/zinc/04/74/46/1039047446.db2.gz AHWNBESJNKHYLU-UHFFFAOYSA-N -1 0 345.424 3.664 20 0 EHADRM CCCCOc1ccc(OC)cc1NCc1ccc(C(=O)[O-])cn1 ZINC000905718755 1039050551 /nfs/dbraw/zinc/05/05/51/1039050551.db2.gz MKLMRVXMBBHDNN-UHFFFAOYSA-N -1 0 330.384 3.579 20 0 EHADRM O=S(=O)([N-]c1nc2c(s1)CCCCCC2)c1cccs1 ZINC000195638774 1039062680 /nfs/dbraw/zinc/06/26/80/1039062680.db2.gz ACJQSNNROSNNFF-UHFFFAOYSA-N -1 0 328.484 3.664 20 0 EHADRM C[C@@H](CC(=O)NC1CC(CC(=O)[O-])C1)c1ccccc1C(F)(F)F ZINC000910810040 1039088596 /nfs/dbraw/zinc/08/85/96/1039088596.db2.gz OIAVCLDNBQSJPO-UNXYVOJBSA-N -1 0 343.345 3.569 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000500645155 1039109174 /nfs/dbraw/zinc/10/91/74/1039109174.db2.gz HNWXAAVEUBLIQH-UHFFFAOYSA-N -1 0 339.269 3.578 20 0 EHADRM Cc1ccc(-n2cnnc2S[C@@H](C)c2nc(C)cc(=O)[nH]2)c(C)c1 ZINC000488358324 1039116943 /nfs/dbraw/zinc/11/69/43/1039116943.db2.gz RMIUJLLMRNIJAM-ZDUSSCGKSA-N -1 0 341.440 3.541 20 0 EHADRM CCC(CC)c1cc(C(=O)NCC2(CC(=O)[O-])CCCCC2)on1 ZINC000554279049 1039177091 /nfs/dbraw/zinc/17/70/91/1039177091.db2.gz BRAFETGYJWIRLN-UHFFFAOYSA-N -1 0 336.432 3.733 20 0 EHADRM O=C([O-])C1(C(F)(F)F)CCN(C(=O)CCCC2CCCC2)CC1 ZINC000911018965 1039187567 /nfs/dbraw/zinc/18/75/67/1039187567.db2.gz YOZJFKFGKFCQKN-UHFFFAOYSA-N -1 0 335.366 3.603 20 0 EHADRM CCCCOc1ccc(C(=O)N=c2[n-]nc(C(C)(C)C)s2)cc1 ZINC000615153665 1039216981 /nfs/dbraw/zinc/21/69/81/1039216981.db2.gz XDTJWHVHJISRCB-UHFFFAOYSA-N -1 0 333.457 3.689 20 0 EHADRM CC1(C)C[C@H](c2ccccc2)CN1C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000911062088 1039219807 /nfs/dbraw/zinc/21/98/07/1039219807.db2.gz NTTYOEZXCZTWPH-GDXASINISA-N -1 0 339.391 3.786 20 0 EHADRM CCCC(=O)Nc1ccc(Cl)c(NC(=O)CC(C)(C)C(=O)[O-])c1 ZINC000236732562 1039247362 /nfs/dbraw/zinc/24/73/62/1039247362.db2.gz GQJHTAJHAMJWGJ-UHFFFAOYSA-N -1 0 340.807 3.518 20 0 EHADRM CCC[C@@H](C(=O)Nc1ccc(OCC(=O)[O-])cc1C)c1ccccc1 ZINC000236843531 1039266864 /nfs/dbraw/zinc/26/68/64/1039266864.db2.gz OWHVKJFSNMTXNK-QGZVFWFLSA-N -1 0 341.407 3.981 20 0 EHADRM Cc1cc(NC(=O)/C=C/c2cc(C(=O)[O-])co2)ccc1N1CCCC1 ZINC000911214048 1039288270 /nfs/dbraw/zinc/28/82/70/1039288270.db2.gz QAYKAMWKOJJTQS-FNORWQNLSA-N -1 0 340.379 3.538 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(C)[C@H]2CCC(C)(C)C2)n1 ZINC000478206990 1039289898 /nfs/dbraw/zinc/28/98/98/1039289898.db2.gz FWRCVIQNHZLSKP-AWEZNQCLSA-N -1 0 345.418 3.676 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)Nc1c(F)cccc1NC1CC1 ZINC000911236111 1039291856 /nfs/dbraw/zinc/29/18/56/1039291856.db2.gz JSMOEUXVSMTMLK-UHFFFAOYSA-N -1 0 342.370 3.670 20 0 EHADRM O=C([O-])CCN(Cc1cccnc1)C(=O)CCC1CCCCCC1 ZINC000911272072 1039307971 /nfs/dbraw/zinc/30/79/71/1039307971.db2.gz GRHKQDAYEGTLCL-UHFFFAOYSA-N -1 0 332.444 3.636 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2CCCCC[C@@H]2C)n1 ZINC000485615495 1039309793 /nfs/dbraw/zinc/30/97/93/1039309793.db2.gz QTKCRMLVPPCZDI-AWEZNQCLSA-N -1 0 327.428 3.545 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2CCCCC[C@H]2C)n1 ZINC000485615496 1039312156 /nfs/dbraw/zinc/31/21/56/1039312156.db2.gz QTKCRMLVPPCZDI-CQSZACIVSA-N -1 0 327.428 3.545 20 0 EHADRM CC(C)(CC(=O)Nc1ccc2nc(C(F)F)sc2c1)C(=O)[O-] ZINC000349002786 1039313284 /nfs/dbraw/zinc/31/32/84/1039313284.db2.gz IOVMDEUGIHDIRF-UHFFFAOYSA-N -1 0 328.340 3.673 20 0 EHADRM CC[C@@H]1C[C@H]1C(=O)N(Cc1ccoc1C(=O)[O-])[C@@H](C)c1ccccn1 ZINC000911329899 1039324427 /nfs/dbraw/zinc/32/44/27/1039324427.db2.gz QDSWLAXKROPNCF-GZBFAFLISA-N -1 0 342.395 3.509 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N(C)[C@H](C)c2ccc(C)cc2C)s1 ZINC000511599591 1039342715 /nfs/dbraw/zinc/34/27/15/1039342715.db2.gz SCIICUIHTDVEMY-CYBMUJFWSA-N -1 0 332.473 3.754 20 0 EHADRM Cc1cc2cc[nH]c2cc1NC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000911405697 1039356805 /nfs/dbraw/zinc/35/68/05/1039356805.db2.gz JDCXWWHPHJICDG-UHFFFAOYSA-N -1 0 326.396 3.840 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)C[C@H](C)c1ccccc1C(F)(F)F ZINC000237507184 1039378000 /nfs/dbraw/zinc/37/80/00/1039378000.db2.gz UPJYZGFMEHOLGA-QWRGUYRKSA-N -1 0 331.334 3.569 20 0 EHADRM CCC[C@H](NC(=O)N=c1[n-]nc(C(F)F)s1)C1CCCCC1 ZINC000480291697 1039386040 /nfs/dbraw/zinc/38/60/40/1039386040.db2.gz OWGWPXKXUVTWPU-JTQLQIEISA-N -1 0 332.420 3.768 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1ccccc1CN(C)c1ccccc1 ZINC000911551777 1039409316 /nfs/dbraw/zinc/40/93/16/1039409316.db2.gz UTBGURYZIDBIOW-SFHVURJKSA-N -1 0 340.423 3.618 20 0 EHADRM Cc1coc(-c2cc(NC(=O)C3(C(=O)[O-])CCCC3)ccc2C)n1 ZINC000911574905 1039418245 /nfs/dbraw/zinc/41/82/45/1039418245.db2.gz RPLFWHIXQIXIPH-UHFFFAOYSA-N -1 0 328.368 3.542 20 0 EHADRM CCC(C)(CC)C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000911597337 1039426968 /nfs/dbraw/zinc/42/69/68/1039426968.db2.gz GCBHRAHXPHXLCQ-UHFFFAOYSA-N -1 0 332.444 3.614 20 0 EHADRM CO[C@@H](C(=O)[O-])c1ccc(-c2ccccc2OC[C@@H]2CCOC2)s1 ZINC000906241935 1039427959 /nfs/dbraw/zinc/42/79/59/1039427959.db2.gz XXVGORSQAAIDIK-SJKOYZFVSA-N -1 0 348.420 3.603 20 0 EHADRM Cc1cc(NC(=O)C2(C(=O)[O-])CCCC2)ccc1Oc1ccncc1 ZINC000911644910 1039437761 /nfs/dbraw/zinc/43/77/61/1039437761.db2.gz DOCQGNNNKDEOQD-UHFFFAOYSA-N -1 0 340.379 3.766 20 0 EHADRM CC(C)(C)[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1onc(C2CC2)c1Cl ZINC001212132036 1039463594 /nfs/dbraw/zinc/46/35/94/1039463594.db2.gz OVPZEIYISMEGHF-GHMZBOCLSA-N -1 0 346.880 3.699 20 0 EHADRM C[C@@H](O)CCCN=c1[n-]nc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000432827127 1039470101 /nfs/dbraw/zinc/47/01/01/1039470101.db2.gz BVUJCZPGXJRJHA-MRVPVSSYSA-N -1 0 332.256 3.507 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000238102095 1039490815 /nfs/dbraw/zinc/49/08/15/1039490815.db2.gz HYOKJNNKYAARGS-GJZGRUSLSA-N -1 0 339.382 3.610 20 0 EHADRM O=C([O-])CCCCCCNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000238123351 1039496514 /nfs/dbraw/zinc/49/65/14/1039496514.db2.gz LJALPTPCQFFHBR-RYUDHWBXSA-N -1 0 341.810 3.734 20 0 EHADRM O=C([O-])CCCCCNC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000238153570 1039500714 /nfs/dbraw/zinc/50/07/14/1039500714.db2.gz VBTNCTRRCHWVAH-RYUDHWBXSA-N -1 0 344.238 3.858 20 0 EHADRM FC(F)(F)c1n[n-]c(=NC[C@@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000480396144 1039504053 /nfs/dbraw/zinc/50/40/53/1039504053.db2.gz OVCFSACUAWQXRR-RQJHMYQMSA-N -1 0 333.301 3.759 20 0 EHADRM CCC[C@@](C)(NC(=O)N[C@H](C)c1oc2ccccc2c1C)C(=O)[O-] ZINC000554601385 1039525684 /nfs/dbraw/zinc/52/56/84/1039525684.db2.gz CAFHDFQHUVZZDQ-KZULUSFZSA-N -1 0 332.400 3.745 20 0 EHADRM COC1(CN=c2[n-]nc(Cc3ccc4ccccc4c3)o2)CCCC1 ZINC000478573422 1039546523 /nfs/dbraw/zinc/54/65/23/1039546523.db2.gz BUQISSLRYFKPDK-UHFFFAOYSA-N -1 0 337.423 3.607 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nc3c(ccc(F)c3F)s2)cc1 ZINC000500852844 1039578339 /nfs/dbraw/zinc/57/83/39/1039578339.db2.gz OLAQAFFKBLJAPM-UHFFFAOYSA-N -1 0 340.376 3.684 20 0 EHADRM O=C([O-])c1cc(/C=C/c2ccc(-n3cncn3)cc2)nc2ccccc21 ZINC000345063460 1039591889 /nfs/dbraw/zinc/59/18/89/1039591889.db2.gz AYEROWUSASDMRD-VMPITWQZSA-N -1 0 342.358 3.684 20 0 EHADRM COc1c(NC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)cccc1C(=O)[O-] ZINC000906499437 1039592363 /nfs/dbraw/zinc/59/23/63/1039592363.db2.gz IFRIBSCKHHPSMO-HUUCEWRRSA-N -1 0 339.391 3.916 20 0 EHADRM CC(C)n1cc(C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)nn1 ZINC000345048725 1039596413 /nfs/dbraw/zinc/59/64/13/1039596413.db2.gz FBJYSCKPCBKPNX-UHFFFAOYSA-N -1 0 349.605 3.777 20 0 EHADRM COc1c(NC(=O)CC[C@@H]2CCc3ccccc32)cccc1C(=O)[O-] ZINC000906504031 1039620756 /nfs/dbraw/zinc/62/07/56/1039620756.db2.gz ZUXOEDHGNMWCFE-AWEZNQCLSA-N -1 0 339.391 3.842 20 0 EHADRM Cc1nc(=N[C@H](c2cc(F)cc(Br)c2)C2CC2)s[n-]1 ZINC000480510540 1039624598 /nfs/dbraw/zinc/62/45/98/1039624598.db2.gz QNOBVRDFVRQBCU-LBPRGKRZSA-N -1 0 342.237 3.733 20 0 EHADRM C[C@H](NC(=O)N=c1cccn[n-]1)c1ccc(Oc2ccccc2)cc1 ZINC000478694635 1039627656 /nfs/dbraw/zinc/62/76/56/1039627656.db2.gz JQLRLBCDYKCXNB-AWEZNQCLSA-N -1 0 334.379 3.574 20 0 EHADRM COc1cc(C)cc(Nc2cc(Cl)c(C)cc2S(=O)(=O)[O-])c1 ZINC001211730404 1039635796 /nfs/dbraw/zinc/63/57/96/1039635796.db2.gz UVQNHTJDZHCUOL-UHFFFAOYSA-N -1 0 341.816 3.956 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 ZINC000570388263 1039727420 /nfs/dbraw/zinc/72/74/20/1039727420.db2.gz BKCAYVRAUKAOHA-UHFFFAOYSA-N -1 0 349.456 3.922 20 0 EHADRM COc1cccc(/C=C\c2nc(C(=O)[O-])c(Br)s2)c1 ZINC000486023884 1039794819 /nfs/dbraw/zinc/79/48/19/1039794819.db2.gz DYPOMCWKLVTTNI-WAYWQWQTSA-N -1 0 340.198 3.783 20 0 EHADRM Cc1ccc([C@@H]2OCCC[C@H]2N=c2nc(C(F)(F)F)[n-]s2)cc1 ZINC000553151233 1039822174 /nfs/dbraw/zinc/82/21/74/1039822174.db2.gz ZAYKIXTWRJYQCP-NEPJUHHUSA-N -1 0 343.374 3.619 20 0 EHADRM Cc1ccc([C@H]2OCCC[C@H]2N=c2nc(C(F)(F)F)[n-]s2)cc1 ZINC000553151236 1039823166 /nfs/dbraw/zinc/82/31/66/1039823166.db2.gz ZAYKIXTWRJYQCP-VXGBXAGGSA-N -1 0 343.374 3.619 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000364135664 1039925722 /nfs/dbraw/zinc/92/57/22/1039925722.db2.gz OSOBXLQUBDWQKN-UHFFFAOYSA-N -1 0 337.753 3.639 20 0 EHADRM Cc1ccc(-c2n[n-]c(=NCc3ccnn3C3CCCC3)o2)c(C)c1 ZINC000584821853 1039980894 /nfs/dbraw/zinc/98/08/94/1039980894.db2.gz XYAVOBCQCFEJLP-UHFFFAOYSA-N -1 0 337.427 3.699 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ncc(C(C)(C)C)s1 ZINC000479136339 1039985717 /nfs/dbraw/zinc/98/57/17/1039985717.db2.gz KCEGVTQFLJJQIJ-UHFFFAOYSA-N -1 0 328.434 3.689 20 0 EHADRM CC(C)c1ccc(O[C@H](C)CN=c2[n-]nc(C(F)F)s2)cc1 ZINC000553318969 1039986605 /nfs/dbraw/zinc/98/66/05/1039986605.db2.gz KUZFPYHRAFQBPD-SNVBAGLBSA-N -1 0 327.400 3.900 20 0 EHADRM Cc1cccc([C@H](NCc2cnc(C3CCC3)s2)C(=O)[O-])c1C ZINC000417570269 1040006274 /nfs/dbraw/zinc/00/62/74/1040006274.db2.gz VZRRXHCMCMREGO-INIZCTEOSA-N -1 0 330.453 3.943 20 0 EHADRM C[C@H](N=c1[n-]nc(Cc2ccccc2)s1)c1ccc2n[nH]cc2c1 ZINC000553385740 1040039501 /nfs/dbraw/zinc/03/95/01/1040039501.db2.gz WWHMDNIYCXWFFU-LBPRGKRZSA-N -1 0 335.436 3.600 20 0 EHADRM COc1cccc(CNc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1OC ZINC000417608184 1040059508 /nfs/dbraw/zinc/05/95/08/1040059508.db2.gz IDNAFZHNSVZZMB-CYBMUJFWSA-N -1 0 329.396 3.579 20 0 EHADRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccn(C(C)C)n2)c(C)c1C ZINC000479260901 1040078001 /nfs/dbraw/zinc/07/80/01/1040078001.db2.gz UIOZUVAFRITABU-UHFFFAOYSA-N -1 0 335.473 3.807 20 0 EHADRM C[C@H](CC(=O)[O-])c1ccc(NCc2cccc3c2OCCO3)cc1 ZINC000417611537 1040080110 /nfs/dbraw/zinc/08/01/10/1040080110.db2.gz PFGBZPFNMGYRBV-CYBMUJFWSA-N -1 0 327.380 3.648 20 0 EHADRM CC(C)(C)c1nc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cs1 ZINC000417630789 1040089240 /nfs/dbraw/zinc/08/92/40/1040089240.db2.gz RLZWSPGZLNJLIG-CABCVRRESA-N -1 0 330.453 3.843 20 0 EHADRM O=C(NCc1cc2ccccc2s1)c1cc(F)c(F)c([O-])c1F ZINC000489571874 1040090095 /nfs/dbraw/zinc/09/00/95/1040090095.db2.gz XVGSTCVMVKHVTQ-UHFFFAOYSA-N -1 0 337.322 3.954 20 0 EHADRM CC(C)(c1ccccc1)C1(NC(=O)c2ccc(C(=O)[O-])cc2F)CC1 ZINC000584850331 1040092302 /nfs/dbraw/zinc/09/23/02/1040092302.db2.gz OVKYANGJZXKUBE-UHFFFAOYSA-N -1 0 341.382 3.764 20 0 EHADRM CC(C)(C)c1cnc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)s1 ZINC000417631883 1040092474 /nfs/dbraw/zinc/09/24/74/1040092474.db2.gz SJFSAAUWHQLYLS-UONOGXRCSA-N -1 0 330.453 3.843 20 0 EHADRM CC(C)CCc1ccc(S(=O)(=O)[N-]c2cn(C)nc2C(C)C)cc1 ZINC000479271183 1040100737 /nfs/dbraw/zinc/10/07/37/1040100737.db2.gz OZPMRYYWOYZALI-UHFFFAOYSA-N -1 0 349.500 3.933 20 0 EHADRM CCC(C)(C)c1ccccc1C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000907644167 1040115062 /nfs/dbraw/zinc/11/50/62/1040115062.db2.gz AHRZBXQLHLZGMH-UHFFFAOYSA-N -1 0 343.427 3.643 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Nc2cc(C(C)=O)ccc2[O-])cc1 ZINC000512563484 1040134621 /nfs/dbraw/zinc/13/46/21/1040134621.db2.gz DQFVJNPJHWUIPU-GFCCVEGCSA-N -1 0 327.380 3.736 20 0 EHADRM CSc1ccc(N(C)C(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)cc1 ZINC000907813787 1040180791 /nfs/dbraw/zinc/18/07/91/1040180791.db2.gz LFJRNDZPTZGFPP-VQIMIIECSA-N -1 0 341.432 3.630 20 0 EHADRM CCOc1ccccc1[N-]S(=O)(=O)c1cc(C)c(OC)c(C)c1 ZINC000512585621 1040207389 /nfs/dbraw/zinc/20/73/89/1040207389.db2.gz DHNRDKIDENOMHU-UHFFFAOYSA-N -1 0 335.425 3.512 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 ZINC000417748713 1040210779 /nfs/dbraw/zinc/21/07/79/1040210779.db2.gz KUPDMFYLRUEZFT-UHFFFAOYSA-N -1 0 349.456 3.922 20 0 EHADRM CC(C)c1ccc(SCC(=O)N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@H]23)cc1 ZINC000907929129 1040233364 /nfs/dbraw/zinc/23/33/64/1040233364.db2.gz GKZKXDFMKMWGKM-HDEZJCGLSA-N -1 0 347.480 3.518 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@H]23)cc1 ZINC000907940655 1040236681 /nfs/dbraw/zinc/23/66/81/1040236681.db2.gz KDMZPQZJBWUROX-PPOSSKIYSA-N -1 0 341.451 3.829 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)N(C)c2cccc(CC(=O)[O-])c2)cc1 ZINC000908083547 1040280835 /nfs/dbraw/zinc/28/08/35/1040280835.db2.gz RTQCCQGSDDBRSL-CQSZACIVSA-N -1 0 341.407 3.768 20 0 EHADRM CN(C(=O)c1ccc(C(C)(C)C)cc1)c1cccc(CC(=O)[O-])c1 ZINC000908073436 1040287097 /nfs/dbraw/zinc/28/70/97/1040287097.db2.gz MEHRHAUXQYJDJG-UHFFFAOYSA-N -1 0 325.408 3.888 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)N(C)c1cccc(CC(=O)[O-])c1 ZINC000908079863 1040290076 /nfs/dbraw/zinc/29/00/76/1040290076.db2.gz JRZFLZCGAAVLJL-ZDUSSCGKSA-N -1 0 345.826 3.809 20 0 EHADRM CN(C(=O)CCCc1ccc(F)c(F)c1)c1cccc(CC(=O)[O-])c1 ZINC000908078705 1040291029 /nfs/dbraw/zinc/29/10/29/1040291029.db2.gz AQLFADYRODDXJF-UHFFFAOYSA-N -1 0 347.361 3.578 20 0 EHADRM COCC(C)(C)CCCN=c1[n-]nc(Cc2ccc(F)cc2)s1 ZINC000555206521 1040292263 /nfs/dbraw/zinc/29/22/63/1040292263.db2.gz HYTNAFOKTRWNLE-UHFFFAOYSA-N -1 0 337.464 3.555 20 0 EHADRM O=C(C=CCc1cccc(F)c1)N=c1nc(-c2ccccc2)[n-]s1 ZINC000486657206 1040299499 /nfs/dbraw/zinc/29/94/99/1040299499.db2.gz MYCGRLNOOAFGOH-ALCCZGGFSA-N -1 0 339.395 3.808 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccccc1OCC(F)F ZINC000479500582 1040307218 /nfs/dbraw/zinc/30/72/18/1040307218.db2.gz JKMANBCKZPTUJN-UHFFFAOYSA-N -1 0 345.342 3.579 20 0 EHADRM Fc1ccccc1[C@H]1CC[C@H](N=c2[n-]nc(C(F)(F)F)s2)C1 ZINC000481090169 1040342945 /nfs/dbraw/zinc/34/29/45/1040342945.db2.gz LYMOUOWNETYOFT-IUCAKERBSA-N -1 0 331.338 3.866 20 0 EHADRM COC(=O)c1ccc(/C=C/c2ncc(C(=O)[O-])c(C(C)C)n2)cc1C ZINC000899356179 1040364608 /nfs/dbraw/zinc/36/46/08/1040364608.db2.gz GYRIIIUIPUXINE-SOFGYWHQSA-N -1 0 340.379 3.564 20 0 EHADRM O=C(Nc1[nH][nH]c2cc(=O)ccc1-2)[C@@H](c1ccncc1)C1CCCC1 ZINC000908335167 1040396025 /nfs/dbraw/zinc/39/60/25/1040396025.db2.gz ICHPUDLFBRXXLQ-QGZVFWFLSA-N -1 0 336.395 3.576 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)C[C@@H]2C[C@H]2Cc2ccccc2)CCC1 ZINC000908327252 1040409389 /nfs/dbraw/zinc/40/93/89/1040409389.db2.gz CCQGTAYYFGKNAS-MSOLQXFVSA-N -1 0 343.467 3.797 20 0 EHADRM Cc1ccc(C)c(OCCCCC(=O)N[C@@H]2CC[C@H](CC(=O)[O-])C2)c1 ZINC000908366759 1040413967 /nfs/dbraw/zinc/41/39/67/1040413967.db2.gz JGVCPRSZAWNSAV-DLBZAZTESA-N -1 0 347.455 3.612 20 0 EHADRM Cc1oc(-c2ccccc2)cc1C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1 ZINC000908375872 1040419792 /nfs/dbraw/zinc/41/97/92/1040419792.db2.gz FLZIYSWLZLIVSI-DZGCQCFKSA-N -1 0 327.380 3.628 20 0 EHADRM C[C@@H](C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1)c1c(Cl)cccc1Cl ZINC000908375196 1040420598 /nfs/dbraw/zinc/42/05/98/1040420598.db2.gz IKXHPAKVYOIZSK-OUAUKWLOSA-N -1 0 344.238 3.857 20 0 EHADRM C/C(=C/C(=O)Nc1ccc(-n2[n-]c(C3CC3)cc2=O)nc1)C(C)(C)C ZINC000912864630 1040420644 /nfs/dbraw/zinc/42/06/44/1040420644.db2.gz UELKNKBURIEMKF-XFXZXTDPSA-N -1 0 340.427 3.515 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1 ZINC000908375193 1040420844 /nfs/dbraw/zinc/42/08/44/1040420844.db2.gz ZXGOWAFURXKAJB-CMPLNLGQSA-N -1 0 341.860 3.825 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)CCc2ccccc2Cl)CCC1 ZINC000908356925 1040428228 /nfs/dbraw/zinc/42/82/28/1040428228.db2.gz ZPULXSQDYILJDL-UHFFFAOYSA-N -1 0 337.847 3.814 20 0 EHADRM CCc1cc(C(=O)N=c2[n-]nc(/C=C\c3ccco3)s2)sc1C ZINC000490251988 1040432176 /nfs/dbraw/zinc/43/21/76/1040432176.db2.gz WHXLLWVQGXEDLL-SREVYHEPSA-N -1 0 345.449 3.908 20 0 EHADRM CCc1ccc(C(=O)N=c2[n-]nc(/C=C/c3ccco3)s2)cc1 ZINC000490278448 1040472496 /nfs/dbraw/zinc/47/24/96/1040472496.db2.gz YRSVYZNXSYRFCW-MDZDMXLPSA-N -1 0 325.393 3.538 20 0 EHADRM COc1c(NC(=O)[C@@H]2C[C@H]2c2sccc2C)cccc1C(=O)[O-] ZINC000908506180 1040498077 /nfs/dbraw/zinc/49/80/77/1040498077.db2.gz AIIQLTNMMHLFEU-VXGBXAGGSA-N -1 0 331.393 3.506 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2C[C@H](C)CCC[C@@H]2C)n1 ZINC000468745896 1040530516 /nfs/dbraw/zinc/53/05/16/1040530516.db2.gz WJYVWRGEBMSXSC-OCCSQVGLSA-N -1 0 345.418 3.676 20 0 EHADRM CC(C)=CC[C@H](NC(=O)Nc1cccc(C(C)(F)F)c1)C(=O)[O-] ZINC000908626239 1040536827 /nfs/dbraw/zinc/53/68/27/1040536827.db2.gz VPCWMRJKDRZDJQ-ZDUSSCGKSA-N -1 0 326.343 3.729 20 0 EHADRM CC(C)=CC[C@H](NC(=O)Nc1ccc(F)c(C(F)F)c1)C(=O)[O-] ZINC000908631305 1040539453 /nfs/dbraw/zinc/53/94/53/1040539453.db2.gz DZGMYBTZWRNINZ-LBPRGKRZSA-N -1 0 330.306 3.694 20 0 EHADRM CN(C(=O)Nc1cccc(COC(C)(C)C)c1)C1(C(=O)[O-])CCCC1 ZINC000908634194 1040540645 /nfs/dbraw/zinc/54/06/45/1040540645.db2.gz FCOJYJYMHASTKE-UHFFFAOYSA-N -1 0 348.443 3.863 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)N(CC(=O)[O-])C2CCCC2)c1 ZINC000908634413 1040541531 /nfs/dbraw/zinc/54/15/31/1040541531.db2.gz JDLBPPOBVVYKQW-UHFFFAOYSA-N -1 0 348.443 3.863 20 0 EHADRM CC(C)=CC[C@@H](NC(=O)Nc1cccc(COC(C)(C)C)c1)C(=O)[O-] ZINC000908640578 1040545618 /nfs/dbraw/zinc/54/56/18/1040545618.db2.gz YDKXEDTWHDIGIN-MRXNPFEDSA-N -1 0 348.443 3.933 20 0 EHADRM C[C@@H]1CCC[C@H](N(C)C(=O)N=c2[n-]nc(/C=C/c3ccco3)s2)C1 ZINC000486922416 1040554989 /nfs/dbraw/zinc/55/49/89/1040554989.db2.gz AWWFGXBBOBXZOK-VSONXHSHSA-N -1 0 346.456 3.766 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)Nc1ccc(-c2ccccc2)cn1)C1CCC1 ZINC000908654905 1040560018 /nfs/dbraw/zinc/56/00/18/1040560018.db2.gz LYVMNJYOHDBZJM-ZDUSSCGKSA-N -1 0 339.395 3.608 20 0 EHADRM O=C([O-])CC1CCN(C(=O)CCCc2ccc(C3CC3)cc2)CC1 ZINC000908680639 1040571012 /nfs/dbraw/zinc/57/10/12/1040571012.db2.gz XLUKDPMPPXRVAN-UHFFFAOYSA-N -1 0 329.440 3.600 20 0 EHADRM COc1cccc(Cc2n[n-]c(=NCc3cccc4ccccc43)o2)c1 ZINC000479781011 1040615075 /nfs/dbraw/zinc/61/50/75/1040615075.db2.gz NIJGJWLISLSUJN-UHFFFAOYSA-N -1 0 345.402 3.856 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000908741687 1040621620 /nfs/dbraw/zinc/62/16/20/1040621620.db2.gz GCWDYGRNUGPHOR-JSGCOSHPSA-N -1 0 337.828 3.718 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000908759851 1040637988 /nfs/dbraw/zinc/63/79/88/1040637988.db2.gz JBCWJPHMSUKQNX-KBPBESRZSA-N -1 0 337.828 3.718 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000908788301 1040649191 /nfs/dbraw/zinc/64/91/91/1040649191.db2.gz YYBVSVVAMSXQPQ-IAGOWNOFSA-N -1 0 328.412 3.578 20 0 EHADRM O=C([O-])c1nc(C(=O)Nc2ccc(COC3CCCC3)cc2)cs1 ZINC000908813201 1040665131 /nfs/dbraw/zinc/66/51/31/1040665131.db2.gz JUAPHEGZBJTIJZ-UHFFFAOYSA-N -1 0 346.408 3.553 20 0 EHADRM Cc1cc(=NC(=O)N(C)[C@H](c2ccc(F)cc2)C(C)C)[n-]nc1C ZINC000433082326 1040672523 /nfs/dbraw/zinc/67/25/23/1040672523.db2.gz KIECJQMCFWVPBG-KRWDZBQOSA-N -1 0 330.407 3.515 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2cc(C)c(Cl)s2)cc1C ZINC000473473994 1040686765 /nfs/dbraw/zinc/68/67/65/1040686765.db2.gz VLXQKRRSYZWXNQ-VIFPVBQESA-N -1 0 347.893 3.987 20 0 EHADRM COCc1ccc(NC(=O)c2ccc(Br)cc2[O-])cc1 ZINC000312678952 1040692589 /nfs/dbraw/zinc/69/25/89/1040692589.db2.gz ZCVZETKILMWZFK-UHFFFAOYSA-N -1 0 336.185 3.553 20 0 EHADRM C[C@@H](Cc1cnc2ccccc2n1)C(=O)Nc1cccc(Cl)c1[O-] ZINC000490748413 1040719233 /nfs/dbraw/zinc/71/92/33/1040719233.db2.gz YBXJHKIJQBWQIW-NSHDSACASA-N -1 0 341.798 3.806 20 0 EHADRM CCC[C@H](NC(=O)CC(C)(C)CC(=O)[O-])c1ccc(F)cc1F ZINC000236967710 1040727012 /nfs/dbraw/zinc/72/70/12/1040727012.db2.gz SBYUWGCKAGXLOV-AWEZNQCLSA-N -1 0 327.371 3.813 20 0 EHADRM CCCc1sc(C(=O)Nc2ccccc2-c2nn[nH]n2)cc1CC ZINC000913358800 1040757797 /nfs/dbraw/zinc/75/77/97/1040757797.db2.gz SAMVGOXEQBLGSU-UHFFFAOYSA-N -1 0 341.440 3.695 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cscc1C(F)F)c1ccccc1 ZINC000909063916 1040787776 /nfs/dbraw/zinc/78/77/76/1040787776.db2.gz BDWZZRPZKJEIGM-NOZJJQNGSA-N -1 0 339.363 3.878 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)CC(C)(C)CC(F)F)c1ccccc1 ZINC000909064721 1040788339 /nfs/dbraw/zinc/78/83/39/1040788339.db2.gz FVTSNFACWDWMNZ-NHYWBVRUSA-N -1 0 327.371 3.636 20 0 EHADRM COc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2C)cc1C1CC1 ZINC000909082441 1040791124 /nfs/dbraw/zinc/79/11/24/1040791124.db2.gz BFGUWYKNEQTJJQ-UHFFFAOYSA-N -1 0 325.364 3.832 20 0 EHADRM CCC(CC)n1ccc(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)n1 ZINC000909097865 1040800301 /nfs/dbraw/zinc/80/03/01/1040800301.db2.gz WBJNKSDNVQRQMC-JXMROGBWSA-N -1 0 327.384 3.594 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)CCO1 ZINC000909101068 1040802240 /nfs/dbraw/zinc/80/22/40/1040802240.db2.gz QNYWFYQGQRCGSM-UTADATLSSA-N -1 0 331.412 3.564 20 0 EHADRM CC(C)[C@@H]1C[C@H](CC(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)CCO1 ZINC000909101063 1040803430 /nfs/dbraw/zinc/80/34/30/1040803430.db2.gz QNYWFYQGQRCGSM-AJFISWQDSA-N -1 0 331.412 3.564 20 0 EHADRM Cn1cc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c(C2CCCC2)n1 ZINC000909113336 1040811258 /nfs/dbraw/zinc/81/12/58/1040811258.db2.gz SLAWBVAVTOSXOW-UHFFFAOYSA-N -1 0 347.802 3.682 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)C[C@H](C)c2c[nH]c3ccccc32)C1 ZINC000909699287 1040943152 /nfs/dbraw/zinc/94/31/52/1040943152.db2.gz FRWLMIXVSSFIOG-VBKZILBWSA-N -1 0 342.439 3.621 20 0 EHADRM C[C@@H]1CCCCCN1C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000408448598 1040954413 /nfs/dbraw/zinc/95/44/13/1040954413.db2.gz XWUFDPNRMZYWJL-GFCCVEGCSA-N -1 0 333.819 3.636 20 0 EHADRM COc1cc(NC(=O)c2scnc2C2CCCC2)ccc1C(=O)[O-] ZINC000909731222 1040981011 /nfs/dbraw/zinc/98/10/11/1040981011.db2.gz KUDYCTMAEOIDNM-UHFFFAOYSA-N -1 0 346.408 3.760 20 0 EHADRM N#CCSc1ccccc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000054734407 1040987417 /nfs/dbraw/zinc/98/74/17/1040987417.db2.gz LPQGCBKDKDDFBC-CYBMUJFWSA-N -1 0 333.372 3.934 20 0 EHADRM CC(C)Nc1ccc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)cn1 ZINC000163680370 1040990652 /nfs/dbraw/zinc/99/06/52/1040990652.db2.gz USMASZISMCUXKX-UHFFFAOYSA-N -1 0 328.397 3.584 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cscc1C(F)F ZINC000909751912 1041001856 /nfs/dbraw/zinc/00/18/56/1041001856.db2.gz WCAUKUPKSSIGRL-JTQLQIEISA-N -1 0 339.363 3.801 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2ccc(OC(C)(C)C)cn2)c1 ZINC000909829121 1041015074 /nfs/dbraw/zinc/01/50/74/1041015074.db2.gz AXFIEUJASMMDRM-LBPRGKRZSA-N -1 0 342.395 3.699 20 0 EHADRM CCC[C@@H](CNC(=O)c1ccc([C@H](C)C(F)(F)F)cc1)C(=O)[O-] ZINC000909811240 1041021112 /nfs/dbraw/zinc/02/11/12/1041021112.db2.gz FLHYHBKLCMVTLQ-GWCFXTLKSA-N -1 0 331.334 3.583 20 0 EHADRM CCCN(C(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1)C1CC1 ZINC000481528616 1041027197 /nfs/dbraw/zinc/02/71/97/1041027197.db2.gz DJXAOICNJPQRCB-UHFFFAOYSA-N -1 0 336.848 3.687 20 0 EHADRM COc1cccc(C2(C(=O)Nc3cccc([C@H](C)C(=O)[O-])c3)CC2)c1 ZINC000909835944 1041033920 /nfs/dbraw/zinc/03/39/20/1041033920.db2.gz XLDKCRAKGWEYRL-ZDUSSCGKSA-N -1 0 339.391 3.554 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2ccc(C)c(C)c2Cl)n1 ZINC000909952481 1041080729 /nfs/dbraw/zinc/08/07/29/1041080729.db2.gz FSUOISZTUWOZCZ-ZDUSSCGKSA-N -1 0 349.818 3.831 20 0 EHADRM CC(C)(CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21)CC(F)F ZINC000909961418 1041082271 /nfs/dbraw/zinc/08/22/71/1041082271.db2.gz MFYUJMFJXHJARP-FRRDWIJNSA-N -1 0 331.403 3.550 20 0 EHADRM C[C@@H](c1ccc(C(=O)NCc2ccoc2C(=O)[O-])cc1)C(F)(F)F ZINC000909963458 1041083173 /nfs/dbraw/zinc/08/31/73/1041083173.db2.gz WROJYXDHNGVKIT-VIFPVBQESA-N -1 0 341.285 3.574 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccccc2)s1)c1cccn1C1CCCC1 ZINC000487744961 1041088367 /nfs/dbraw/zinc/08/83/67/1041088367.db2.gz VLBVGHAYTUQBGD-UHFFFAOYSA-N -1 0 338.436 3.796 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1ccc(F)cc1Br ZINC000899765023 1041093834 /nfs/dbraw/zinc/09/38/34/1041093834.db2.gz OLMQZTKAPJOZAD-SECBINFHSA-N -1 0 346.196 3.664 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3CC[C@H](C4CCCCC4)C3)(CC1)CC2 ZINC000909956463 1041095832 /nfs/dbraw/zinc/09/58/32/1041095832.db2.gz BJJAHEHAHNTCOC-DZIBYMRMSA-N -1 0 333.472 3.840 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)Nc1cccc(C(F)F)c1Cl ZINC000899779872 1041103112 /nfs/dbraw/zinc/10/31/12/1041103112.db2.gz FRQIYFRDINKEHV-PSLIRLAXSA-N -1 0 331.746 3.963 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cc1O)c1ccc(-c2ccccc2)cc1 ZINC000481592985 1041120398 /nfs/dbraw/zinc/12/03/98/1041120398.db2.gz OXJRVFTULAZXBE-UHFFFAOYSA-N -1 0 343.379 3.999 20 0 EHADRM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(Cl)c1O ZINC000605613563 1041127656 /nfs/dbraw/zinc/12/76/56/1041127656.db2.gz RQKKEZOEKCKQLE-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccccc2-c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000570964578 1041127595 /nfs/dbraw/zinc/12/75/95/1041127595.db2.gz XEGZUKUKOLCECV-YOEHRIQHSA-N -1 0 338.407 3.928 20 0 EHADRM Cc1ccc([C@H](CC(=O)N(Cc2cccs2)C2CC2)C(=O)[O-])cc1 ZINC000899799190 1041136182 /nfs/dbraw/zinc/13/61/82/1041136182.db2.gz PHOSFTXLXNOBAG-KRWDZBQOSA-N -1 0 343.448 3.806 20 0 EHADRM CCN(C(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-])[C@H](C)c1ccc(F)cc1 ZINC000899801907 1041141408 /nfs/dbraw/zinc/14/14/08/1041141408.db2.gz VXHKWMQLLBQFKJ-LULRCYNZSA-N -1 0 345.414 3.648 20 0 EHADRM O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000571017662 1041145377 /nfs/dbraw/zinc/14/53/77/1041145377.db2.gz RETFUWKICTYCMQ-DLBZAZTESA-N -1 0 348.406 3.700 20 0 EHADRM Clc1cc2c(s1)CC[C@@H]2N=c1[n-]nc(-c2ccccn2)s1 ZINC000571018961 1041147712 /nfs/dbraw/zinc/14/77/12/1041147712.db2.gz OGFKOVSVMJMONP-VIFPVBQESA-N -1 0 334.857 3.836 20 0 EHADRM CCOc1ccccc1N(C)C(=O)C[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000899827478 1041184606 /nfs/dbraw/zinc/18/46/06/1041184606.db2.gz KCQGYBWSSVGSSS-MRXNPFEDSA-N -1 0 341.407 3.615 20 0 EHADRM CC1CCC(=CC(=O)N2CCC[C@@H]2c2nc(C(=O)[O-])cs2)CC1 ZINC000910115827 1041197407 /nfs/dbraw/zinc/19/74/07/1041197407.db2.gz VYKDSIOSVHIGBC-SBXXRYSUSA-N -1 0 334.441 3.641 20 0 EHADRM COc1ccc([C@@H](NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C2CCC2)cc1 ZINC000899841345 1041201940 /nfs/dbraw/zinc/20/19/40/1041201940.db2.gz SEPKYHKBHIFQTI-RYRKJORJSA-N -1 0 345.439 3.544 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647689912 1041244620 /nfs/dbraw/zinc/24/46/20/1041244620.db2.gz PLAZQXUUNLNGTD-UHFFFAOYSA-N -1 0 348.443 3.711 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)Nc1ccc(OC2CCCC2)cc1)C1CCC1 ZINC000571265472 1041250737 /nfs/dbraw/zinc/25/07/37/1041250737.db2.gz SLAHIMQZKZYRBA-ZDUSSCGKSA-N -1 0 346.427 3.868 20 0 EHADRM Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000319563854 1041338507 /nfs/dbraw/zinc/33/85/07/1041338507.db2.gz LFMSRBPEPNLCPY-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM Cc1cc(S(=O)(=O)Nc2cccc(C(C)C)c2)ccc1C(=O)[O-] ZINC000323456711 1041424996 /nfs/dbraw/zinc/42/49/96/1041424996.db2.gz BRWLIXXKXVKIDR-UHFFFAOYSA-N -1 0 333.409 3.617 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)Nc1cccc(Cl)c1 ZINC000320503678 1041432957 /nfs/dbraw/zinc/43/29/57/1041432957.db2.gz JIBQLJBUSFMOOA-HNNXBMFYSA-N -1 0 330.771 3.556 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1O ZINC000093655134 1041434296 /nfs/dbraw/zinc/43/42/96/1041434296.db2.gz NMTXHRQXGIFKOC-UHFFFAOYSA-N -1 0 338.237 3.870 20 0 EHADRM COc1cc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)ccc1Cl ZINC000431994200 1041451633 /nfs/dbraw/zinc/45/16/33/1041451633.db2.gz KFTSVPMNIZBXDW-UHFFFAOYSA-N -1 0 333.771 3.916 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2occc2-c2ccc(F)cc2)cc1 ZINC000431999795 1041461191 /nfs/dbraw/zinc/46/11/91/1041461191.db2.gz DTSJZPLWQCFBEU-UHFFFAOYSA-N -1 0 339.322 3.965 20 0 EHADRM CCN(CCO)c1ccc(Nc2ccc(C(=O)[O-])c(C)c2)c(C)c1 ZINC001211658445 1041520432 /nfs/dbraw/zinc/52/04/32/1041520432.db2.gz OGBUXJJGDYMRJE-UHFFFAOYSA-N -1 0 328.412 3.564 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2ccc(C(=O)[O-])s2)C(F)(F)F)c1 ZINC000432090506 1041579989 /nfs/dbraw/zinc/57/99/89/1041579989.db2.gz CSCUOFOWYOHIRI-LBPRGKRZSA-N -1 0 343.326 3.788 20 0 EHADRM CCc1ccc(NC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)cc1F ZINC000432114595 1041611266 /nfs/dbraw/zinc/61/12/66/1041611266.db2.gz UXGIUOACHFUXLW-UHFFFAOYSA-N -1 0 345.370 3.721 20 0 EHADRM C[C@]1(NC(=O)Cc2c(Cl)cccc2Cl)CCCC[C@H]1C(=O)[O-] ZINC000432122694 1041618872 /nfs/dbraw/zinc/61/88/72/1041618872.db2.gz OORSXFHVBLXYSD-ZBEGNZNMSA-N -1 0 344.238 3.686 20 0 EHADRM CC(C)[C@H](CC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-])c1ccccc1 ZINC000432131128 1041626882 /nfs/dbraw/zinc/62/68/82/1041626882.db2.gz RUZXDIAJHZOCFT-ZWOKBUDYSA-N -1 0 331.456 3.966 20 0 EHADRM CC(C)Cc1nc(=NC2(Cc3ccc(F)cc3)CCOCC2)s[n-]1 ZINC000432155716 1041663485 /nfs/dbraw/zinc/66/34/85/1041663485.db2.gz LQWSNXDEASFCHJ-UHFFFAOYSA-N -1 0 349.475 3.501 20 0 EHADRM CCN(CC)C(=O)c1ccccc1Nc1ccc(C(=O)[O-])c(C)c1 ZINC001211660728 1041693889 /nfs/dbraw/zinc/69/38/89/1041693889.db2.gz IKWDQTNJYKQMRR-UHFFFAOYSA-N -1 0 326.396 3.919 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1cccc(OC2CCCC2)c1 ZINC000044830914 1041992751 /nfs/dbraw/zinc/99/27/51/1041992751.db2.gz NJIZEKHTCPTXSV-SJORKVTESA-N -1 0 329.396 3.614 20 0 EHADRM CC(C)C[C@H]1CCCCN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000119334654 1042198158 /nfs/dbraw/zinc/19/81/58/1042198158.db2.gz MRECRPSGPSMFBK-MRXNPFEDSA-N -1 0 327.428 3.619 20 0 EHADRM CCC[C@H]1CCC[C@@H]1C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000663058181 1042406324 /nfs/dbraw/zinc/40/63/24/1042406324.db2.gz SELXYOFCZUYOLK-OWLYRPNTSA-N -1 0 329.440 3.530 20 0 EHADRM Fc1ccc(Oc2ccnc(CN=c3[n-]nc(C4CC4)s3)c2)cc1 ZINC000432238810 1042411146 /nfs/dbraw/zinc/41/11/46/1042411146.db2.gz VBDYGVJJXKQWRN-UHFFFAOYSA-N -1 0 342.399 3.776 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)Nc2ccccc2Cl)n1 ZINC000432286085 1042472567 /nfs/dbraw/zinc/47/25/67/1042472567.db2.gz XDHWKWSKJHZPMG-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM O=C(c1ccc(Cl)cc1[O-])N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000184391543 1042505459 /nfs/dbraw/zinc/50/54/59/1042505459.db2.gz OEMRMEPBDMUGEV-JTQLQIEISA-N -1 0 327.767 3.766 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)N[C@@H]1CCc2c1cccc2Cl ZINC000909400826 1042524750 /nfs/dbraw/zinc/52/47/50/1042524750.db2.gz KXEZKVZKDZNURW-QGZVFWFLSA-N -1 0 343.810 3.775 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)c2ccc(C3CCC3)cc2)c2ccccc21 ZINC000653328278 1042542211 /nfs/dbraw/zinc/54/22/11/1042542211.db2.gz GXZOXMWESBMKGX-OALUTQOASA-N -1 0 335.403 3.997 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(F)c([O-])c(Cl)c2)[C@H](c2ccccc2)CO1 ZINC000184464516 1042552473 /nfs/dbraw/zinc/55/24/73/1042552473.db2.gz HGYMBCJLZXOWSR-ZBEGNZNMSA-N -1 0 349.789 3.787 20 0 EHADRM Cc1ccn(-c2ccccc2NC(=O)c2cc(F)c([O-])c(Cl)c2)n1 ZINC000184496412 1042562970 /nfs/dbraw/zinc/56/29/70/1042562970.db2.gz UKGNWXDWFTVRPA-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM C[C@@H]1SCCN(C(=O)c2cccc(F)c2[O-])[C@H]1c1ccccc1 ZINC001126204870 1042573771 /nfs/dbraw/zinc/57/37/71/1042573771.db2.gz TWKMHYWHZGLDQD-BLLLJJGKSA-N -1 0 331.412 3.850 20 0 EHADRM CCc1cnc(CN[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)s1 ZINC000663261875 1042608141 /nfs/dbraw/zinc/60/81/41/1042608141.db2.gz NQFRQMVGQFKJFV-ZDUSSCGKSA-N -1 0 344.358 3.640 20 0 EHADRM Cc1cn(C)nc1[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000663266284 1042613065 /nfs/dbraw/zinc/61/30/65/1042613065.db2.gz OQXXTIBLHXLOBV-UHFFFAOYSA-N -1 0 333.457 3.577 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)NCc1cccc(Cl)c1Cl)C1CC1 ZINC000663271828 1042616608 /nfs/dbraw/zinc/61/66/08/1042616608.db2.gz QQWJOFGCHBLXES-LBPRGKRZSA-N -1 0 345.226 3.531 20 0 EHADRM C[C@@]1(Cc2ccccc2)CCCN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000186223963 1042650371 /nfs/dbraw/zinc/65/03/71/1042650371.db2.gz RLGHIYUZYWCHGQ-IBGZPJMESA-N -1 0 331.362 3.908 20 0 EHADRM Cc1cnc([C@@H](C)CNC(=O)c2c([O-])cc(Cl)cc2Cl)s1 ZINC000186392620 1042660037 /nfs/dbraw/zinc/66/00/37/1042660037.db2.gz GGQDQYJTFDMKTC-ZETCQYMHSA-N -1 0 345.251 3.997 20 0 EHADRM CC(C)COc1ccccc1CNC(=O)c1cc(F)c([O-])c(F)c1 ZINC000186678327 1042687145 /nfs/dbraw/zinc/68/71/45/1042687145.db2.gz CTGRLBIVJYANKT-UHFFFAOYSA-N -1 0 335.350 3.635 20 0 EHADRM CCCOc1ccc2c(c1)CCN(C(=O)c1cc(F)c([O-])c(F)c1)C2 ZINC000186885719 1042719432 /nfs/dbraw/zinc/71/94/32/1042719432.db2.gz RMVZMUOQDQQFGW-UHFFFAOYSA-N -1 0 347.361 3.658 20 0 EHADRM O=C(Nc1cc(C(F)(F)F)ccc1O)c1cc(F)c([O-])c(F)c1 ZINC000186961076 1042732610 /nfs/dbraw/zinc/73/26/10/1042732610.db2.gz GMEKNNWGYLSIOH-UHFFFAOYSA-N -1 0 333.212 3.647 20 0 EHADRM FC(F)c1n[n-]c(=NCCc2ccc(OCc3ccccc3)cc2)o1 ZINC000432319550 1042846363 /nfs/dbraw/zinc/84/63/63/1042846363.db2.gz ZBECEHCHDNLVOB-UHFFFAOYSA-N -1 0 345.349 3.663 20 0 EHADRM O=C([O-])[C@H](CC(=O)NC[C@H](c1ccccc1)C1CC1)c1ccccc1 ZINC000644847694 1042967687 /nfs/dbraw/zinc/96/76/87/1042967687.db2.gz RCQHNPMFKPGXHF-RTBURBONSA-N -1 0 337.419 3.555 20 0 EHADRM O=C(N=c1nc(-c2ccccc2Cl)[n-]s1)N[C@H]1C=CCCC1 ZINC000544636731 1042970601 /nfs/dbraw/zinc/97/06/01/1042970601.db2.gz XNVWYDIDAAOMQN-JTQLQIEISA-N -1 0 334.832 3.511 20 0 EHADRM CCc1cccc(NS(=O)(=O)c2ccc(N(C)C)cc2)c1CC ZINC000432781042 1043032001 /nfs/dbraw/zinc/03/20/01/1043032001.db2.gz PQFKMXCCAAMIJD-UHFFFAOYSA-N -1 0 332.469 3.678 20 0 EHADRM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)Nc1ccc(Cl)c(F)c1 ZINC000324391255 1043287688 /nfs/dbraw/zinc/28/76/88/1043287688.db2.gz NKNAVWHDDYLMGD-OAHLLOKOSA-N -1 0 348.761 3.523 20 0 EHADRM Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000319809481 1043409427 /nfs/dbraw/zinc/40/94/27/1043409427.db2.gz IJYLAOWRGURUGX-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM Cc1ccc(Nc2ccc3c(O)cc(S(=O)(=O)[O-])cc3c2)cc1O ZINC001211701672 1043528208 /nfs/dbraw/zinc/52/82/08/1043528208.db2.gz LCKLXATYJGGNPT-UHFFFAOYSA-N -1 0 345.376 3.550 20 0 EHADRM CCc1cc(NC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])ccc1C ZINC000327552219 1043566297 /nfs/dbraw/zinc/56/62/97/1043566297.db2.gz BFJWJNBBMGRRCO-GOSISDBHSA-N -1 0 338.407 3.601 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N[C@@H]2c3ccccc3O[C@H]2C)s1 ZINC000344298471 1043620600 /nfs/dbraw/zinc/62/06/00/1043620600.db2.gz DUYAYTRYHGPVDH-HZMBPMFUSA-N -1 0 346.456 3.507 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)c1csc(-c2ccc(C(C)C)cc2)n1 ZINC000236839049 1043797400 /nfs/dbraw/zinc/79/74/00/1043797400.db2.gz ABQZJESPZJXGEY-UHFFFAOYSA-N -1 0 346.452 3.870 20 0 EHADRM C[C@H](C(F)(F)F)S(=O)(=O)[N-]C1CCC(C)(c2ccccc2)CC1 ZINC000544719890 1044181596 /nfs/dbraw/zinc/18/15/96/1044181596.db2.gz HGKZRBGZTDZLOL-LRVUVFPRSA-N -1 0 349.418 3.757 20 0 EHADRM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc3ccc(C)nc32)cc1 ZINC000066235499 1044196085 /nfs/dbraw/zinc/19/60/85/1044196085.db2.gz RNYZHGQFUNUZON-UHFFFAOYSA-N -1 0 340.404 3.547 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)c2cccc(Nc3ccccc3)c2)CC1 ZINC000647761931 1044453043 /nfs/dbraw/zinc/45/30/43/1044453043.db2.gz ARBFFVOCHJXMMY-UHFFFAOYSA-N -1 0 338.407 3.757 20 0 EHADRM CC[C@@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])c1cccs1 ZINC000344815136 1044460404 /nfs/dbraw/zinc/46/04/04/1044460404.db2.gz PYOMAZKOEUNMNN-CYBMUJFWSA-N -1 0 327.409 3.521 20 0 EHADRM Cc1ccncc1NC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000344867798 1044555987 /nfs/dbraw/zinc/55/59/87/1044555987.db2.gz QKCGUUAUXMLYQV-UHFFFAOYSA-N -1 0 336.395 3.657 20 0 EHADRM C[C@H](CNS(=O)(=O)c1cccc(Cl)c1Cl)CC(F)F ZINC000645796249 1044633292 /nfs/dbraw/zinc/63/32/92/1044633292.db2.gz NEPKWNZTEJCAPT-ZETCQYMHSA-N -1 0 332.199 3.563 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)C1(C)C ZINC000236744208 1044777505 /nfs/dbraw/zinc/77/75/05/1044777505.db2.gz DXADLBTXGPPVDJ-HLLBOEOZSA-N -1 0 333.403 3.696 20 0 EHADRM O=S(=O)([N-]c1nc2ccsc2s1)c1cccc2ncccc21 ZINC000344986711 1044783901 /nfs/dbraw/zinc/78/39/01/1044783901.db2.gz WDRBXDOGJFKUAF-UHFFFAOYSA-N -1 0 347.446 3.707 20 0 EHADRM CC(C)c1ccc(S(=O)(=O)[N-]c2nnc(-c3ccccc3)o2)cc1 ZINC000163209872 1125618608 /nfs/dbraw/zinc/61/86/08/1125618608.db2.gz PDMDXGCTVIVECP-UHFFFAOYSA-N -1 0 343.408 3.661 20 0 EHADRM CC(C)CCc1ccc(S(=O)(=O)[N-]c2nnc(C(C)C)o2)cc1 ZINC000153606661 1125636601 /nfs/dbraw/zinc/63/66/01/1125636601.db2.gz AEKPIDCLVYYRBB-UHFFFAOYSA-N -1 0 337.445 3.582 20 0 EHADRM COc1cc(C(=O)NC(C)(C)c2cccc(F)c2)cc(Cl)c1O ZINC000153857107 1125668797 /nfs/dbraw/zinc/66/87/97/1125668797.db2.gz VYEGMZGYDVVNSN-UHFFFAOYSA-N -1 0 337.778 3.858 20 0 EHADRM O=S(=O)([N-]c1cccc(C[NH+]2CCCCC2)c1)c1cccs1 ZINC000153852180 1125668914 /nfs/dbraw/zinc/66/89/14/1125668914.db2.gz XCJRGJCRDRPPMX-UHFFFAOYSA-N -1 0 336.482 3.535 20 0 EHADRM CN(C)C(=O)Sc1ccccc1NC(=O)c1c([O-])cccc1F ZINC000184991675 1126729696 /nfs/dbraw/zinc/72/96/96/1126729696.db2.gz DBPOPDFUPKKSST-UHFFFAOYSA-N -1 0 334.372 3.557 20 0 EHADRM Cc1c(C(=O)Nc2cccc(Cl)c2[O-])cnn1-c1ccccc1F ZINC000172110164 1126780931 /nfs/dbraw/zinc/78/09/31/1126780931.db2.gz IRABOJPZBXLUGH-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC[C@H]1c1ccccn1 ZINC000073045926 1126989685 /nfs/dbraw/zinc/98/96/85/1126989685.db2.gz NLJVDOAPCORBDN-AWEZNQCLSA-N -1 0 325.393 3.863 20 0 EHADRM CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000073134878 1127063696 /nfs/dbraw/zinc/06/36/96/1127063696.db2.gz PIGKHWWVZAPCAH-CQSZACIVSA-N -1 0 344.798 3.657 20 0 EHADRM COCc1ccccc1[N-]S(=O)(=O)c1cccc(C)c1Cl ZINC000179973039 1127105770 /nfs/dbraw/zinc/10/57/70/1127105770.db2.gz CGMVTWKRDJOERA-UHFFFAOYSA-N -1 0 325.817 3.596 20 0 EHADRM CCOc1ccc(NC(=O)CC2(CC(=O)[O-])CCCCC2)cc1OC ZINC000326642418 1127266895 /nfs/dbraw/zinc/26/68/95/1127266895.db2.gz WSKVBGZGMCGYRA-UHFFFAOYSA-N -1 0 349.427 3.848 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c(C)o1 ZINC000182767017 1127346564 /nfs/dbraw/zinc/34/65/64/1127346564.db2.gz BNQKCNAEUUPTTJ-UHFFFAOYSA-N -1 0 335.303 3.596 20 0 EHADRM CC(C)CCS(=O)(=O)[N-][C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000182875151 1127351603 /nfs/dbraw/zinc/35/16/03/1127351603.db2.gz USIZYXPGEAPLHB-LBPRGKRZSA-N -1 0 345.333 3.534 20 0 EHADRM CC[C@H](Cc1ccccc1)N(C)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000182865323 1127351631 /nfs/dbraw/zinc/35/16/31/1127351631.db2.gz XXFNUYMTKCQFMI-GFCCVEGCSA-N -1 0 337.341 3.903 20 0 EHADRM Cc1ccc2c(c1)N(C(=O)c1cc(F)c(F)c([O-])c1F)C[C@H](C)O2 ZINC000183021062 1127359201 /nfs/dbraw/zinc/35/92/01/1127359201.db2.gz WEXNRGYUVOTYRE-VIFPVBQESA-N -1 0 337.297 3.546 20 0 EHADRM CC(C)(C)C[C@@H]([N-]S(=O)(=O)Cc1cccc(F)c1)C(F)(F)F ZINC000183303424 1127371455 /nfs/dbraw/zinc/37/14/55/1127371455.db2.gz UICMJGPDNPVMCD-GFCCVEGCSA-N -1 0 341.370 3.612 20 0 EHADRM CSCc1ccccc1[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000184032406 1127392649 /nfs/dbraw/zinc/39/26/49/1127392649.db2.gz HRXLWXKBFSMNSP-UHFFFAOYSA-N -1 0 343.420 3.937 20 0 EHADRM C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000184971891 1127417518 /nfs/dbraw/zinc/41/75/18/1127417518.db2.gz RSJDPYYSCRAYHD-SSDOTTSWSA-N -1 0 345.267 3.921 20 0 EHADRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)n1 ZINC000185711075 1127430064 /nfs/dbraw/zinc/43/00/64/1127430064.db2.gz WMSXZSJBBUTNKE-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM O=S(=O)([N-]c1ccc(C(F)(F)F)cn1)c1ccc(Cl)s1 ZINC000194161381 1127453301 /nfs/dbraw/zinc/45/33/01/1127453301.db2.gz WSHKZZLLESIKLP-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM CC(C)(C(=O)[N-]OCc1nc(Cl)ccc1Cl)c1ccccc1 ZINC000764937063 1127555877 /nfs/dbraw/zinc/55/58/77/1127555877.db2.gz NTIGNBPBSXEHEJ-UHFFFAOYSA-N -1 0 339.222 3.914 20 0 EHADRM CN(CCOc1cccc(Cl)c1)C(=O)c1ccc([O-])c(Cl)c1 ZINC000024188606 1127703313 /nfs/dbraw/zinc/70/33/13/1127703313.db2.gz UPTLHPCJPWKQPV-UHFFFAOYSA-N -1 0 340.206 3.850 20 0 EHADRM Cc1nc2ccc([N-]S(=O)(=O)c3cc(F)ccc3Cl)cc2o1 ZINC000103058245 1127793973 /nfs/dbraw/zinc/79/39/73/1127793973.db2.gz KOJPCMKWANWLTR-UHFFFAOYSA-N -1 0 340.763 3.730 20 0 EHADRM O=C(NCc1ccccc1OC(F)(F)F)c1ccc([O-])c(Cl)c1 ZINC000028677411 1127790393 /nfs/dbraw/zinc/79/03/93/1127790393.db2.gz CHSJHRPELHZKPA-UHFFFAOYSA-N -1 0 345.704 3.874 20 0 EHADRM O=S(=O)([N-]c1cccc(OCc2ccccn2)c1)c1cccs1 ZINC000032597221 1127853703 /nfs/dbraw/zinc/85/37/03/1127853703.db2.gz ZSEQAKUGOIISLR-UHFFFAOYSA-N -1 0 346.433 3.523 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)nc1 ZINC000039971450 1127873117 /nfs/dbraw/zinc/87/31/17/1127873117.db2.gz JFEDZAYWMHTWQD-UHFFFAOYSA-N -1 0 330.453 3.660 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c3c[nH]nc32)c(C)c1 ZINC000063635517 1128150053 /nfs/dbraw/zinc/15/00/53/1128150053.db2.gz OMNOYBYJSYLZPA-UHFFFAOYSA-N -1 0 329.425 3.597 20 0 EHADRM Cc1nc2cc(NC(=O)c3ccc(Br)cc3[O-])ccc2o1 ZINC000066043001 1128210515 /nfs/dbraw/zinc/21/05/15/1128210515.db2.gz DDOISTUOFXFWTC-UHFFFAOYSA-N -1 0 347.168 3.857 20 0 EHADRM O=C(NN1C[C@@H]2CCC[C@H]2C1)c1cc(Cl)c2ccccc2c1[O-] ZINC001649096692 1128228813 /nfs/dbraw/zinc/22/88/13/1128228813.db2.gz BZHRBHLBNLGXSI-RYUDHWBXSA-N -1 0 330.815 3.576 20 0 EHADRM O=C([N-]S(=O)(=O)CC1CC1)C1(c2cccc(Cl)c2)CCCC1 ZINC000073537187 1128393125 /nfs/dbraw/zinc/39/31/25/1128393125.db2.gz QXCUJLBAFMBMAV-UHFFFAOYSA-N -1 0 341.860 3.848 20 0 EHADRM Cc1ccc(NC(=O)c2c(C)cccc2O)c(OC[C@@H]2CCCO2)c1 ZINC000624562767 1128394717 /nfs/dbraw/zinc/39/47/17/1128394717.db2.gz FSETXOJPEMOUEV-HNNXBMFYSA-N -1 0 341.407 3.819 20 0 EHADRM O=C([N-]S(=O)(=O)CC1CC1)c1sc2cc(F)ccc2c1Cl ZINC000073538524 1128395699 /nfs/dbraw/zinc/39/56/99/1128395699.db2.gz PHMIACWYTKIREC-UHFFFAOYSA-N -1 0 347.820 3.738 20 0 EHADRM CC[C@H](N=c1[n-]nc(C2CCOCC2)s1)c1ccc(F)cc1F ZINC000338671672 1128443635 /nfs/dbraw/zinc/44/36/35/1128443635.db2.gz KIZYLWBBYGOPFW-AWEZNQCLSA-N -1 0 339.411 3.695 20 0 EHADRM c1cc(C2CCC2)ccc1CN=c1[n-]nc(C2CCOCC2)s1 ZINC000338704476 1128721569 /nfs/dbraw/zinc/72/15/69/1128721569.db2.gz BJYMLFCFDDQHEI-UHFFFAOYSA-N -1 0 329.469 3.734 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)CCc1ccc(Cl)cc1Cl ZINC000388434811 1128740955 /nfs/dbraw/zinc/74/09/55/1128740955.db2.gz GHFDZJIWPFYWQO-CZUORRHYSA-N -1 0 344.238 3.686 20 0 EHADRM Cc1nc(C(F)(F)F)c(CN(C)c2cccc(CC(=O)[O-])c2)s1 ZINC000903951579 1128776249 /nfs/dbraw/zinc/77/62/49/1128776249.db2.gz FGEVBCHFRKBZQZ-UHFFFAOYSA-N -1 0 344.358 3.734 20 0 EHADRM CC(C)(CC(=O)N(Cc1ccccc1)Cc1ccccc1)C(=O)[O-] ZINC000307138317 1128811437 /nfs/dbraw/zinc/81/14/37/1128811437.db2.gz AEUQSMGHYZSZOG-UHFFFAOYSA-N -1 0 325.408 3.716 20 0 EHADRM O=S(=O)([O-])c1ccc(-c2ccc(Br)cc2F)cc1 ZINC000168168755 1120240764 /nfs/dbraw/zinc/24/07/64/1120240764.db2.gz USIOBOMDFASJPT-UHFFFAOYSA-N -1 0 331.162 3.502 20 0 EHADRM Cc1cc(C)cc(CC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000668277247 1120350251 /nfs/dbraw/zinc/35/02/51/1120350251.db2.gz CCBJHOVTKZZVNQ-UHFFFAOYSA-N -1 0 325.408 3.847 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1cccc(OC(F)F)c1 ZINC000186947310 1120480529 /nfs/dbraw/zinc/48/05/29/1120480529.db2.gz OVTIPVTXTDWLIH-UHFFFAOYSA-N -1 0 331.315 3.536 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2c(OC)cccc2OC)cc1CC ZINC000187042062 1120484949 /nfs/dbraw/zinc/48/49/49/1120484949.db2.gz RPMUHHVUDYRMBP-UHFFFAOYSA-N -1 0 349.452 3.629 20 0 EHADRM Cc1c(NS(=O)(=O)c2ccccc2C(C)C)cccc1C(=O)[O-] ZINC000188996092 1120522190 /nfs/dbraw/zinc/52/21/90/1120522190.db2.gz BAKBKNDRPGLIQA-UHFFFAOYSA-N -1 0 333.409 3.617 20 0 EHADRM CC(C)c1ccc(S(=O)(=O)[N-]c2nnc(-c3cccs3)o2)cc1 ZINC000190351233 1120634783 /nfs/dbraw/zinc/63/47/83/1120634783.db2.gz FYSKBSVRWSJSBJ-UHFFFAOYSA-N -1 0 349.437 3.722 20 0 EHADRM Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000190390450 1120636115 /nfs/dbraw/zinc/63/61/15/1120636115.db2.gz AXGGAYADYMFRRN-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM CC[C@@H](C)CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000190751691 1120649483 /nfs/dbraw/zinc/64/94/83/1120649483.db2.gz IBJCAZKUEXZVDV-CQSZACIVSA-N -1 0 346.452 3.862 20 0 EHADRM O=S(=O)(Cc1ccccc1)[N-]c1nc2c(cccc2Cl)s1 ZINC000191847123 1120698978 /nfs/dbraw/zinc/69/89/78/1120698978.db2.gz KXOSZJUQSAOGTH-UHFFFAOYSA-N -1 0 338.841 3.892 20 0 EHADRM CO[C@@H](C)CS(=O)(=O)[N-]c1cccc(Cl)c1SC(C)C ZINC000193330432 1120771104 /nfs/dbraw/zinc/77/11/04/1120771104.db2.gz IPOPBNVIACNAPO-JTQLQIEISA-N -1 0 337.894 3.617 20 0 EHADRM O=C(NCCc1cccc2ccccc21)c1cc(F)c(F)c([O-])c1F ZINC000193927769 1120809246 /nfs/dbraw/zinc/80/92/46/1120809246.db2.gz ZITHTNMHROUEEI-UHFFFAOYSA-N -1 0 345.320 3.935 20 0 EHADRM CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000914729292 1120966238 /nfs/dbraw/zinc/96/62/38/1120966238.db2.gz OFMTZOMRYHCMSD-UHFFFAOYSA-N -1 0 345.370 3.839 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccc(-c2nc([C@H]3CCCO3)no2)c(O)c1 ZINC000495317347 1121069233 /nfs/dbraw/zinc/06/92/33/1121069233.db2.gz MXRVWTDFJBOBJQ-CYBMUJFWSA-N -1 0 347.371 3.641 20 0 EHADRM CCC(CC)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000762072858 1121091934 /nfs/dbraw/zinc/09/19/34/1121091934.db2.gz WDPWXVXECOLBSC-NSHDSACASA-N -1 0 331.865 3.526 20 0 EHADRM CC(C)(C)OC1CC(CCNC(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000762397008 1121279241 /nfs/dbraw/zinc/27/92/41/1121279241.db2.gz ZTKKBFAMNXJWNQ-UHFFFAOYSA-N -1 0 348.468 3.830 20 0 EHADRM O=C([O-])c1cnc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000303091018 1121365775 /nfs/dbraw/zinc/36/57/75/1121365775.db2.gz YLMWSYZTKXFJID-OAHLLOKOSA-N -1 0 345.830 3.510 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)c2sccc2-c2ccccc2)C1 ZINC000261677787 1121430603 /nfs/dbraw/zinc/43/06/03/1121430603.db2.gz MJSGDVIZZGNLAE-IBGZPJMESA-N -1 0 343.448 3.988 20 0 EHADRM COC(=O)c1oc([C@@H](C)OC(=O)c2ccc([O-])c(Cl)c2)cc1C ZINC000762821842 1121448798 /nfs/dbraw/zinc/44/87/98/1121448798.db2.gz GAACGWKBXWRVRI-SECBINFHSA-N -1 0 338.743 3.652 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cn1 ZINC000238049386 1121501371 /nfs/dbraw/zinc/50/13/71/1121501371.db2.gz SGWQAUUSMXISMI-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM O=C([O-])[C@H]1CC[C@@H](NC(=O)c2ccc(OCC3CCCCC3)cc2)C1 ZINC000238109347 1121502670 /nfs/dbraw/zinc/50/26/70/1121502670.db2.gz BLIGCQBFVPMYAN-DLBZAZTESA-N -1 0 345.439 3.629 20 0 EHADRM COc1ccc(-c2cncc(C3(C(=O)[O-])CC3)c2)c(C(F)(F)F)c1 ZINC000901046004 1121572263 /nfs/dbraw/zinc/57/22/63/1121572263.db2.gz UEUVJCFPYBUQMD-UHFFFAOYSA-N -1 0 337.297 3.892 20 0 EHADRM O=C(COC(=O)c1ccc([O-])c(Cl)c1)C1CCC(F)(F)CC1 ZINC000763055048 1121669352 /nfs/dbraw/zinc/66/93/52/1121669352.db2.gz YNTYSKNNTHCZRX-UHFFFAOYSA-N -1 0 332.730 3.597 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H]2CC[C@H](C(F)(F)F)C2)c1 ZINC000436652264 1121814270 /nfs/dbraw/zinc/81/42/70/1121814270.db2.gz LKQPRPAFIDPDDA-QWRGUYRKSA-N -1 0 329.318 3.902 20 0 EHADRM CCc1cc(NS(=O)(=O)c2ccc(CC)c(C(=O)[O-])c2)ccc1C ZINC000326190948 1121816916 /nfs/dbraw/zinc/81/69/16/1121816916.db2.gz AUBXOIRZNOBPKN-UHFFFAOYSA-N -1 0 347.436 3.619 20 0 EHADRM O=C([O-])C1=C(C(=O)Nc2ccc3oc(C4CC4)nc3c2)CCCC1 ZINC000326661605 1121972631 /nfs/dbraw/zinc/97/26/31/1121972631.db2.gz JFIKYTYCNSBVBZ-UHFFFAOYSA-N -1 0 326.352 3.599 20 0 EHADRM CCCCC1CCC(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000916757157 1122346473 /nfs/dbraw/zinc/34/64/73/1122346473.db2.gz LKPJOCLZUNGSCM-UHFFFAOYSA-N -1 0 341.448 3.627 20 0 EHADRM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2ccc(C)c(O)c2C)c1 ZINC000077709905 1129058696 /nfs/dbraw/zinc/05/86/96/1129058696.db2.gz IJJYCZOZMINPKV-UHFFFAOYSA-N -1 0 342.420 3.666 20 0 EHADRM Cc1cnn(-c2ccc(NC(=O)c3ccc([O-])c(Cl)c3)cc2F)c1 ZINC000128143911 1122533519 /nfs/dbraw/zinc/53/35/19/1122533519.db2.gz AVGFZOMYEXLXDD-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM CCCCCOc1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[nH]2)cc1 ZINC000670370107 1122580667 /nfs/dbraw/zinc/58/06/67/1122580667.db2.gz YICBASBIJJRQFP-JXMROGBWSA-N -1 0 328.368 3.620 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cn1)c1ccc(Cl)c(Cl)c1 ZINC000068300355 1122631721 /nfs/dbraw/zinc/63/17/21/1122631721.db2.gz VRTZDLRHPQMUJS-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM Clc1nccc([N-]c2nnc(Br)s2)c1Cl ZINC001212229834 1122677144 /nfs/dbraw/zinc/67/71/44/1122677144.db2.gz HTUGKDVTSVYTHE-UHFFFAOYSA-N -1 0 326.006 3.746 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(-c3ccccc3)[nH]n2)c1 ZINC000497849347 1122682433 /nfs/dbraw/zinc/68/24/33/1122682433.db2.gz SMECEYOHXLEKCD-UHFFFAOYSA-N -1 0 347.827 3.839 20 0 EHADRM Cc1ccc(N2CCCN(C(=O)c3ccc([O-])c(Cl)c3)CC2)cc1 ZINC000918368725 1122794832 /nfs/dbraw/zinc/79/48/32/1122794832.db2.gz ICSKACJYHVBVFL-UHFFFAOYSA-N -1 0 344.842 3.707 20 0 EHADRM Cc1nc(SC[C@H]2CC[C@H](C(F)(F)F)O2)[nH]c(=O)c1C1CC1 ZINC000918464319 1122813710 /nfs/dbraw/zinc/81/37/10/1122813710.db2.gz ZHTHCGNVNSHPQJ-NXEZZACHSA-N -1 0 334.363 3.570 20 0 EHADRM CC(C)(C)c1ncc(CN=c2[n-]nc(CC3CCCCC3)s2)cn1 ZINC000556329231 1122930695 /nfs/dbraw/zinc/93/06/95/1122930695.db2.gz JHXNCEKBNBOJOE-UHFFFAOYSA-N -1 0 345.516 3.782 20 0 EHADRM O=C(NCC1(c2ccc(F)cc2F)CC1)c1ccc([O-])c(Cl)c1 ZINC000130486294 1122954339 /nfs/dbraw/zinc/95/43/39/1122954339.db2.gz NWGMUDMIKSDBPM-UHFFFAOYSA-N -1 0 337.753 3.785 20 0 EHADRM Cc1ccccc1N=c1[n-]nc([C@@H]2CCCO2)n1Cc1ccccc1 ZINC000556436011 1122978183 /nfs/dbraw/zinc/97/81/83/1122978183.db2.gz PUHXKGHNZRJABA-SFHVURJKSA-N -1 0 334.423 3.652 20 0 EHADRM O=C(N=c1nc(Cc2ccccc2)[n-]s1)[C@@H](c1ccccc1)C1CC1 ZINC000499039062 1123163179 /nfs/dbraw/zinc/16/31/79/1123163179.db2.gz MLJYSTWRHKZBSA-SFHVURJKSA-N -1 0 349.459 3.683 20 0 EHADRM CC(C)(C)CCC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC000263123805 1123438918 /nfs/dbraw/zinc/43/89/18/1123438918.db2.gz RSTAKAMPFXTYRI-LSDHHAIUSA-N -1 0 337.847 3.793 20 0 EHADRM CC(C)(CNC(=O)c1ccc(-c2ccc(Cl)cc2)s1)C(=O)[O-] ZINC000236719022 1123456745 /nfs/dbraw/zinc/45/67/45/1123456745.db2.gz DMSPFHAUDXRWGS-UHFFFAOYSA-N -1 0 337.828 3.909 20 0 EHADRM CC(C)[C@@H](NC(=O)C[C@@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1 ZINC000013468981 1129127488 /nfs/dbraw/zinc/12/74/88/1129127488.db2.gz BMQLZFVPFNTLDB-IEBWSBKVSA-N -1 0 343.398 3.898 20 0 EHADRM O=C(Nc1ccccc1NCC(F)(F)F)c1c([O-])cc(F)cc1F ZINC000066050367 1129127614 /nfs/dbraw/zinc/12/76/14/1129127614.db2.gz RYYOEMTXEWYQGV-UHFFFAOYSA-N -1 0 346.255 3.897 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1cn(-c2ccccc2Cl)nn1 ZINC000077011286 1123529525 /nfs/dbraw/zinc/52/95/25/1123529525.db2.gz CCWKDPZVEUKSOB-UHFFFAOYSA-N -1 0 349.177 3.532 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)COc2ccc3ccccc3c2)c1 ZINC000238145413 1123566000 /nfs/dbraw/zinc/56/60/00/1123566000.db2.gz MLMYOHWUVUWWJV-UHFFFAOYSA-N -1 0 339.322 3.695 20 0 EHADRM CC(C)c1cc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)n[nH]1 ZINC000135031646 1123575670 /nfs/dbraw/zinc/57/56/70/1123575670.db2.gz VNCVBYRPEYCBSW-UHFFFAOYSA-N -1 0 334.228 3.641 20 0 EHADRM Cc1ccc(CCCC(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)s1 ZINC000079462224 1123696429 /nfs/dbraw/zinc/69/64/29/1123696429.db2.gz WOBHVCICRWCAQY-UHFFFAOYSA-N -1 0 343.408 3.774 20 0 EHADRM NC(=O)Nc1cccc(Nc2c(Cl)cc(C(=O)[O-])cc2Cl)c1 ZINC001214517106 1129147922 /nfs/dbraw/zinc/14/79/22/1129147922.db2.gz ROPLMEFRRSGKMA-UHFFFAOYSA-N -1 0 340.166 3.926 20 0 EHADRM C[C@H](CC(=O)NCCCCCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000237618193 1123792630 /nfs/dbraw/zinc/79/26/30/1123792630.db2.gz JPOODWKYPGHFON-GFCCVEGCSA-N -1 0 345.361 3.960 20 0 EHADRM Cc1cccc(-c2ccc(CNC(=O)CCCCC(=O)[O-])cc2)c1 ZINC000263322744 1123798920 /nfs/dbraw/zinc/79/89/20/1123798920.db2.gz RSOYGYUZLVBBBW-UHFFFAOYSA-N -1 0 325.408 3.923 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)Cc1ccc2ccccc2c1 ZINC000238097083 1123979522 /nfs/dbraw/zinc/97/95/22/1123979522.db2.gz BPJCNSURIGVFON-UHFFFAOYSA-N -1 0 327.424 3.924 20 0 EHADRM C[C@H](CCC(=O)NC[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000263534056 1124014116 /nfs/dbraw/zinc/01/41/16/1124014116.db2.gz NTDLSFJTENHTBW-CRAIPNDOSA-N -1 0 325.408 3.555 20 0 EHADRM Cc1cc2c(cc1C)[C@@H](C(=O)Nc1cc(C(=O)[O-])c(C)cc1C)CO2 ZINC000263547891 1124082517 /nfs/dbraw/zinc/08/25/17/1124082517.db2.gz UWDKGTRSFXENJQ-INIZCTEOSA-N -1 0 339.391 3.733 20 0 EHADRM C[C@@H](CCC1CCCCC1)NC(=O)c1n[n-]c2ccccc2c1=O ZINC000734552918 1131251163 /nfs/dbraw/zinc/25/11/63/1131251163.db2.gz XJLUSTKAQVFXQJ-ZDUSSCGKSA-N -1 0 327.428 3.814 20 0 EHADRM CCc1oc(C(=O)N2CCC(c3ccsc3)CC2)cc1C(=O)[O-] ZINC000263571516 1124538286 /nfs/dbraw/zinc/53/82/86/1124538286.db2.gz JMEXQSZMWPVEPQ-UHFFFAOYSA-N -1 0 333.409 3.622 20 0 EHADRM CC(C)[C@@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccc(F)cc1F ZINC000263571085 1124541742 /nfs/dbraw/zinc/54/17/42/1124541742.db2.gz IZCBOOFAUAHDEA-XHBSWPGZSA-N -1 0 339.382 3.669 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCCC[C@H]2c2cccc(Cl)c2)n1 ZINC000263576316 1124635806 /nfs/dbraw/zinc/63/58/06/1124635806.db2.gz QGOZUDMJGJMUQX-INIZCTEOSA-N -1 0 344.798 3.801 20 0 EHADRM Cc1ccc(-c2ccc(C([O-])=C(C#N)C(=O)NC3CCCC3)s2)o1 ZINC000181522245 1124910583 /nfs/dbraw/zinc/91/05/83/1124910583.db2.gz UHOMJRTYZVTXFN-CYBMUJFWSA-N -1 0 342.420 3.698 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000070030409 1125163401 /nfs/dbraw/zinc/16/34/01/1125163401.db2.gz BYOVMGNNMMMFBB-CYBMUJFWSA-N -1 0 342.420 3.570 20 0 EHADRM CC1(C)CO[C@@H](c2cccc(F)c2)CN1C(=O)c1c([O-])cccc1F ZINC000618794032 1125203919 /nfs/dbraw/zinc/20/39/19/1125203919.db2.gz MYCLGRUPSDTARA-MRXNPFEDSA-N -1 0 347.361 3.663 20 0 EHADRM Cc1cc([C@@H]2CCN(C(=O)c3c([O-])cccc3F)C2)c(O)cc1Cl ZINC000619373156 1125338140 /nfs/dbraw/zinc/33/81/40/1125338140.db2.gz VAUFIZLGESANIH-LLVKDONJSA-N -1 0 349.789 3.828 20 0 EHADRM CCOC(=O)c1nc(NC(=O)c2cc3c(cccc3Cl)s2)c[nH]1 ZINC000619445952 1125347523 /nfs/dbraw/zinc/34/75/23/1125347523.db2.gz CNZFJUSFYYNFQX-UHFFFAOYSA-N -1 0 349.799 3.707 20 0 EHADRM CC(C)C(=O)Nc1ccc(C(=O)Nc2ccc(O)c(Cl)c2)cc1 ZINC000182874547 1125384475 /nfs/dbraw/zinc/38/44/75/1125384475.db2.gz MSTKFZIFMYTSGQ-UHFFFAOYSA-N -1 0 332.787 3.892 20 0 EHADRM C[C@@H]1CN(C(=O)c2sccc2-c2ccccc2)CC[C@H]1C(=O)[O-] ZINC000261887234 1125388668 /nfs/dbraw/zinc/38/86/68/1125388668.db2.gz NHLMEEOBXDRWGJ-TZMCWYRMSA-N -1 0 329.421 3.598 20 0 EHADRM COc1ccc(NC(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cn1 ZINC000153010538 1125417337 /nfs/dbraw/zinc/41/73/37/1125417337.db2.gz XXRFJHYTQZXRSE-UHFFFAOYSA-N -1 0 328.155 3.747 20 0 EHADRM C[C@@H]1COC2(CCCC2)CN1C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000619932742 1125433283 /nfs/dbraw/zinc/43/32/83/1125433283.db2.gz RQWZEMBPJKAOSU-LLVKDONJSA-N -1 0 343.345 3.585 20 0 EHADRM CC[C@@H](C)[C@@H](C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)c1ccccc1 ZINC000543065096 1129179447 /nfs/dbraw/zinc/17/94/47/1129179447.db2.gz WAMZBWJUSJNGPZ-XNWPKKHHSA-N -1 0 329.440 3.530 20 0 EHADRM O=C(NC[C@H](c1ccccc1)C(F)(F)F)c1c([O-])cc(F)cc1F ZINC000681630505 1129195518 /nfs/dbraw/zinc/19/55/18/1129195518.db2.gz UTGUGQLXSMWYKG-LLVKDONJSA-N -1 0 345.267 3.746 20 0 EHADRM CC1(C)Cc2cccc(NC(=O)C[C@H](C(=O)[O-])c3ccccc3)c2O1 ZINC000682697129 1129231489 /nfs/dbraw/zinc/23/14/89/1129231489.db2.gz XVKFOYBZFMRVJI-HNNXBMFYSA-N -1 0 339.391 3.597 20 0 EHADRM O=C(c1n[n-]c2ccccc2c1=O)N1CCCC[C@@H]1Cc1ccccc1 ZINC000735653261 1131369983 /nfs/dbraw/zinc/36/99/83/1131369983.db2.gz JFIYVLLNFJFKHL-MRXNPFEDSA-N -1 0 347.418 3.573 20 0 EHADRM Cc1ccccc1[C@H]1C[C@H](NC(=O)N=c2[n-]nc(C(C)(C)C)s2)C1 ZINC000466381706 1129412504 /nfs/dbraw/zinc/41/25/04/1129412504.db2.gz JAEMXCXFWUCZNN-JOCQHMNTSA-N -1 0 344.484 3.634 20 0 EHADRM COc1ccc2c(c1)[C@@H](N=c1[n-]nc(-c3ccccc3)s1)CCO2 ZINC000466491932 1129488195 /nfs/dbraw/zinc/48/81/95/1129488195.db2.gz JLFKDFPRXSDNHG-HNNXBMFYSA-N -1 0 339.420 3.571 20 0 EHADRM O=C(OCc1cc(-c2cccs2)on1)c1c(F)cc([O-])cc1F ZINC000735950839 1131393491 /nfs/dbraw/zinc/39/34/91/1131393491.db2.gz DWUWXIAHCJRIRV-UHFFFAOYSA-N -1 0 337.303 3.744 20 0 EHADRM CCCc1n[n-]c(=NCc2ccc(-c3ccncc3)cc2F)s1 ZINC000347805354 1129836191 /nfs/dbraw/zinc/83/61/91/1129836191.db2.gz YRLPLGXNRUZYFT-UHFFFAOYSA-N -1 0 328.416 3.726 20 0 EHADRM CCC(CC)c1n[n-]c(=NCc2ccc(OCCOC)cc2)s1 ZINC000347824138 1129882212 /nfs/dbraw/zinc/88/22/12/1129882212.db2.gz QRRVGPOSBMFACR-UHFFFAOYSA-N -1 0 335.473 3.501 20 0 EHADRM COC(=O)/C(=C/c1cccc(C(=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC000766039094 1129892953 /nfs/dbraw/zinc/89/29/53/1129892953.db2.gz ZSLSMUWFPZIOAX-UKTHLTGXSA-N -1 0 345.420 3.852 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2c[nH]c(C(C)C)n2)ccc1C(F)(F)F ZINC000673884548 1129895145 /nfs/dbraw/zinc/89/51/45/1129895145.db2.gz BZDUWBOQCVPAAM-UHFFFAOYSA-N -1 0 347.362 3.661 20 0 EHADRM O=C([O-])[C@H](CC(=O)Nc1ccc(OCC(F)F)cc1)c1ccccc1 ZINC000673932715 1129908000 /nfs/dbraw/zinc/90/80/00/1129908000.db2.gz BTBHZQHFQQVIEW-OAHLLOKOSA-N -1 0 349.333 3.528 20 0 EHADRM COc1ncc(Nc2ccc(C(=O)[O-])c(F)c2F)cc1C(F)(F)F ZINC001212511731 1129910774 /nfs/dbraw/zinc/91/07/74/1129910774.db2.gz CAMQLMSFCDOSHZ-UHFFFAOYSA-N -1 0 348.227 3.829 20 0 EHADRM COc1ccccc1-n1nccc1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212512090 1129918787 /nfs/dbraw/zinc/91/87/87/1129918787.db2.gz UYTHBWOXJXXNBE-UHFFFAOYSA-N -1 0 345.305 3.601 20 0 EHADRM O=C(Nc1ccc(OCC(F)F)cc1)c1c([O-])cc(F)cc1F ZINC000673956659 1129918810 /nfs/dbraw/zinc/91/88/10/1129918810.db2.gz KGERGCWJQTWKRZ-UHFFFAOYSA-N -1 0 329.249 3.567 20 0 EHADRM CC(C)(C)c1cnn2cc(Nc3ccc(C(=O)[O-])c(F)c3F)cnc12 ZINC001212512445 1129920630 /nfs/dbraw/zinc/92/06/30/1129920630.db2.gz MRNAZYGTQQPYMI-UHFFFAOYSA-N -1 0 346.337 3.747 20 0 EHADRM Cc1cc(F)c2[nH]c(=O)cc(C(=O)Nc3ccc(O)c(Cl)c3)c2c1 ZINC000509177696 1129920779 /nfs/dbraw/zinc/92/07/79/1129920779.db2.gz IJVRZRRSNUPVAC-UHFFFAOYSA-N -1 0 346.745 3.999 20 0 EHADRM CC(C)c1c(Cl)ncnc1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212512613 1129920880 /nfs/dbraw/zinc/92/08/80/1129920880.db2.gz VKMFAKUNMUJSHF-UHFFFAOYSA-N -1 0 327.718 3.973 20 0 EHADRM COCCOc1c(F)cccc1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212516088 1129928408 /nfs/dbraw/zinc/92/84/08/1129928408.db2.gz YKNTVLVYDCUNGM-UHFFFAOYSA-N -1 0 341.285 3.571 20 0 EHADRM COC(=O)/C=C/c1ccc(Nc2ccc(C(=O)[O-])c(F)c2F)cc1 ZINC001212515626 1129929248 /nfs/dbraw/zinc/92/92/48/1129929248.db2.gz HAHQBTROAVKKCQ-RUDMXATFSA-N -1 0 333.290 3.593 20 0 EHADRM CC[C@H](c1n[n-]c(=NCc2cccc3nccn32)s1)c1ccccc1 ZINC000347896141 1130188558 /nfs/dbraw/zinc/18/85/58/1130188558.db2.gz MVDABXOMJMAFSN-INIZCTEOSA-N -1 0 349.463 3.762 20 0 EHADRM O=C([O-])C1CCC(NC(=O)c2ccccc2OC2CCCCC2)CC1 ZINC000676016712 1130517400 /nfs/dbraw/zinc/51/74/00/1130517400.db2.gz NDKVRMYWLZUHQB-UHFFFAOYSA-N -1 0 345.439 3.771 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000676025717 1130518355 /nfs/dbraw/zinc/51/83/55/1130518355.db2.gz AYMZWBYUXXDBFU-ZJUUUORDSA-N -1 0 329.730 3.883 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)n2)c(C)c1 ZINC000731919739 1130860945 /nfs/dbraw/zinc/86/09/45/1130860945.db2.gz CWLDPWLQFQVIMX-UHFFFAOYSA-N -1 0 344.358 3.826 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC)C(=O)c1n[n-]c2ccccc2c1=O ZINC000732278598 1130905810 /nfs/dbraw/zinc/90/58/10/1130905810.db2.gz QJDMHRNTTPAOKI-KRWDZBQOSA-N -1 0 335.407 3.949 20 0 EHADRM CC(C)CN(CCc1ccccc1)C(=O)c1n[n-]c2ccccc2c1=O ZINC000732268116 1130906714 /nfs/dbraw/zinc/90/67/14/1130906714.db2.gz BUZWLSRFAWBEKR-UHFFFAOYSA-N -1 0 349.434 3.676 20 0 EHADRM O=C(Nc1ccnc(-c2ccccc2)c1)c1n[n-]c2ccccc2c1=O ZINC000732300896 1130908867 /nfs/dbraw/zinc/90/88/67/1130908867.db2.gz WYQHHCWKSZYBLD-UHFFFAOYSA-N -1 0 342.358 3.650 20 0 EHADRM CCC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(C)s1 ZINC000733676359 1131066109 /nfs/dbraw/zinc/06/61/09/1131066109.db2.gz QNFOZLOGJUDVHY-AWEZNQCLSA-N -1 0 343.514 3.858 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000734080801 1131193899 /nfs/dbraw/zinc/19/38/99/1131193899.db2.gz ZNKNJVAIWNAOMY-ZDUSSCGKSA-N -1 0 343.876 3.751 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000734080832 1131194013 /nfs/dbraw/zinc/19/40/13/1131194013.db2.gz AZYSTQDLVBBKRE-MRXNPFEDSA-N -1 0 329.506 3.619 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000734080744 1131194164 /nfs/dbraw/zinc/19/41/64/1131194164.db2.gz XLEQGKHWENHVCZ-INIZCTEOSA-N -1 0 337.485 3.715 20 0 EHADRM CCCCS(=O)(=O)[N-]C(=O)C[C@H](C)c1ccc(C(C)C)cc1 ZINC000739137409 1131493431 /nfs/dbraw/zinc/49/34/31/1131493431.db2.gz ALIWJFCVOLLHAN-AWEZNQCLSA-N -1 0 325.474 3.550 20 0 EHADRM Cc1cccc(F)c1CNC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1 ZINC000743246322 1131882439 /nfs/dbraw/zinc/88/24/39/1131882439.db2.gz FNYBJYONCVEUKK-LJQANCHMSA-N -1 0 335.419 3.812 20 0 EHADRM CCCCCC[C@@H](C)C(=O)Nc1cc(S(=O)(=O)CC)ccc1[O-] ZINC000743288113 1131891512 /nfs/dbraw/zinc/89/15/12/1131891512.db2.gz VATUYYGDBIGZFP-CYBMUJFWSA-N -1 0 341.473 3.731 20 0 EHADRM Fc1cnccc1-c1nc(-c2ccc3[n-]c(=S)sc3c2)no1 ZINC001212699340 1131934247 /nfs/dbraw/zinc/93/42/47/1131934247.db2.gz AOHJPMDYKJUECC-UHFFFAOYSA-N -1 0 330.369 3.836 20 0 EHADRM CCCCCC[C@](C)(CC)C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000744003268 1132006887 /nfs/dbraw/zinc/00/68/87/1132006887.db2.gz FQCJVTMEHUGMCT-KRWDZBQOSA-N -1 0 325.474 3.878 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@H](c2ccccc2)C(C)C)c1 ZINC000744005597 1132007856 /nfs/dbraw/zinc/00/78/56/1132007856.db2.gz HYBGCRPZFGJEMM-SFHVURJKSA-N -1 0 345.464 3.548 20 0 EHADRM CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1 ZINC000744163572 1132029739 /nfs/dbraw/zinc/02/97/39/1132029739.db2.gz BVPPOPKIXZWRKB-HUUCEWRRSA-N -1 0 325.474 3.800 20 0 EHADRM COCc1cccc(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)c1 ZINC001174094499 1132225489 /nfs/dbraw/zinc/22/54/89/1132225489.db2.gz KLNHCAJSBRWPRU-UHFFFAOYSA-N -1 0 343.404 3.977 20 0 EHADRM Cc1cc(C)c(Nc2cncc3ccccc32)c(S(=O)(=O)[O-])c1 ZINC001174101777 1132228659 /nfs/dbraw/zinc/22/86/59/1132228659.db2.gz WLRVPVXKUZAWLM-UHFFFAOYSA-N -1 0 328.393 3.842 20 0 EHADRM COc1cc(F)ccc1Nc1ccc2ccccc2c1S(=O)(=O)[O-] ZINC001174131275 1132247553 /nfs/dbraw/zinc/24/75/53/1132247553.db2.gz PKVACSZFZXOJBU-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM COc1ccc(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)c(F)c1 ZINC001174145870 1132253776 /nfs/dbraw/zinc/25/37/76/1132253776.db2.gz OWJIHPOAEYHBDA-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM O=S(=O)(c1ccc(Nc2ccc([S-])cc2)cc1)N1CCCC1 ZINC001174254229 1132285680 /nfs/dbraw/zinc/28/56/80/1132285680.db2.gz NLBXXZUEFOZVAS-UHFFFAOYSA-N -1 0 334.466 3.503 20 0 EHADRM CC(=O)NCc1cccc(Nc2c(Cl)c(F)[n-]c(=O)c2Cl)c1 ZINC001174366428 1132337300 /nfs/dbraw/zinc/33/73/00/1132337300.db2.gz MDPSAUXXHWBCRS-UHFFFAOYSA-N -1 0 344.173 3.613 20 0 EHADRM Cc1cc(Nc2cccc(/C=C/C(=O)[O-])c2)n(C(=O)OC(C)(C)C)n1 ZINC001174494880 1132371040 /nfs/dbraw/zinc/37/10/40/1132371040.db2.gz IXVFHMNLUXFHAE-CMDGGOBGSA-N -1 0 343.383 3.816 20 0 EHADRM Cc1cc(Br)ncc1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174495389 1132371347 /nfs/dbraw/zinc/37/13/47/1132371347.db2.gz PRVYQTOUZCYXSE-AATRIKPKSA-N -1 0 333.185 3.994 20 0 EHADRM Cc1cnc(Br)cc1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174495862 1132371767 /nfs/dbraw/zinc/37/17/67/1132371767.db2.gz ZMOLBFVAINIJER-AATRIKPKSA-N -1 0 333.185 3.994 20 0 EHADRM CCOc1ncccc1Nc1ccc(S(=O)(=O)[O-])c2ccccc12 ZINC001174456861 1132375761 /nfs/dbraw/zinc/37/57/61/1132375761.db2.gz PFFCLJDKURLGKS-UHFFFAOYSA-N -1 0 344.392 3.624 20 0 EHADRM Cc1ccc(OC[C@H](C)NC(=O)c2ccc3[n-]c(=S)oc3c2)cc1 ZINC000746172564 1132386692 /nfs/dbraw/zinc/38/66/92/1132386692.db2.gz AWRXDYYAJDQCSR-LBPRGKRZSA-N -1 0 342.420 3.622 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cc(OC)c(C(F)(F)F)cn1 ZINC001174678084 1132433834 /nfs/dbraw/zinc/43/38/34/1132433834.db2.gz ZKOFVBDZCGQSPW-UHFFFAOYSA-N -1 0 342.273 3.559 20 0 EHADRM COc1cc(Nc2ccc(C(=O)[O-])cc2OC)c(OC)cc1Cl ZINC001174676871 1132433940 /nfs/dbraw/zinc/43/39/40/1132433940.db2.gz JLSGEPNWIVQWMT-UHFFFAOYSA-N -1 0 337.759 3.808 20 0 EHADRM COc1cc(Nc2ccccc2OC2CCOCC2)ccc1C(=O)[O-] ZINC001174685952 1132435991 /nfs/dbraw/zinc/43/59/91/1132435991.db2.gz DTPTVVFTNIPHEE-UHFFFAOYSA-N -1 0 343.379 3.695 20 0 EHADRM CCOC(=O)CCc1ccc(Nc2ccc(C(=O)[O-])c(OC)c2)cc1 ZINC001174686885 1132436971 /nfs/dbraw/zinc/43/69/71/1132436971.db2.gz XWXCWXXCLXGBIE-UHFFFAOYSA-N -1 0 343.379 3.633 20 0 EHADRM CC(C)Oc1ccc(CC[C@H](C)NC(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000190615884 1132455147 /nfs/dbraw/zinc/45/51/47/1132455147.db2.gz OULJGQSABGBSOS-HNNXBMFYSA-N -1 0 349.471 3.802 20 0 EHADRM COC(=O)c1cc(Cl)cc(Nc2ccc(C(=O)[O-])s2)c1C ZINC001174808964 1132479016 /nfs/dbraw/zinc/47/90/16/1132479016.db2.gz XNGGKWNYZQFTJE-UHFFFAOYSA-N -1 0 325.773 3.938 20 0 EHADRM COc1cccc(Cn2ncc(C)c2Nc2ccc(C(=O)[O-])s2)c1 ZINC001174809065 1132480272 /nfs/dbraw/zinc/48/02/72/1132480272.db2.gz XEYAWLDZBXGVPW-UHFFFAOYSA-N -1 0 343.408 3.752 20 0 EHADRM O=S(=O)([O-])c1c(Nc2ccc3c(c2)OCO3)ccc2ccccc21 ZINC001174867211 1132491199 /nfs/dbraw/zinc/49/11/99/1132491199.db2.gz UGQVHHWJVANBRL-UHFFFAOYSA-N -1 0 343.360 3.559 20 0 EHADRM O=C([O-])Cc1ccc(Nc2ccc3nc(-c4ccccc4)nn3c2)cc1 ZINC001174950490 1132516573 /nfs/dbraw/zinc/51/65/73/1132516573.db2.gz QUEFNIZCQIZURM-UHFFFAOYSA-N -1 0 344.374 3.767 20 0 EHADRM CN(C)c1cccc(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)c1 ZINC001174963080 1132520606 /nfs/dbraw/zinc/52/06/06/1132520606.db2.gz ANJKDINVGHGVFT-UHFFFAOYSA-N -1 0 342.420 3.896 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CCC(=O)NCC2(CC(=O)[O-])CCCCC2)o1 ZINC000392649733 1132520889 /nfs/dbraw/zinc/52/08/89/1132520889.db2.gz TXIFMABFLHCRSV-GOEBONIOSA-N -1 0 347.455 3.877 20 0 EHADRM COc1cc(F)cc(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)c1 ZINC001175008760 1132528864 /nfs/dbraw/zinc/52/88/64/1132528864.db2.gz BTNYJNSCUFJEBW-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM COc1ccc(N)cc1S(=O)(=O)[N-]c1ccc(C)c2ccccc12 ZINC001174986543 1132536501 /nfs/dbraw/zinc/53/65/01/1132536501.db2.gz FGDLYPKDTJDRAV-UHFFFAOYSA-N -1 0 342.420 3.540 20 0 EHADRM CCOc1ccc(F)c(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1F ZINC001175039046 1132546318 /nfs/dbraw/zinc/54/63/18/1132546318.db2.gz OMRABJZGTAOHNP-UHFFFAOYSA-N -1 0 331.322 3.998 20 0 EHADRM O=C(c1nn(-c2ccccc2)cc1[O-])N(c1ccccc1)C1CCC1 ZINC001168809161 1132566390 /nfs/dbraw/zinc/56/63/90/1132566390.db2.gz VCOALQVDAVPGEG-UHFFFAOYSA-N -1 0 333.391 3.777 20 0 EHADRM O=C([O-])c1ccc(Nc2ccnn2Cc2ccccc2F)cc1F ZINC001175154149 1132568730 /nfs/dbraw/zinc/56/87/30/1132568730.db2.gz GHOUXOOZOQRNCD-UHFFFAOYSA-N -1 0 329.306 3.651 20 0 EHADRM CC(C)(C)c1cc(Nc2ccc(C(=O)[O-])c(F)c2)c(C(N)=O)s1 ZINC001175154089 1132568833 /nfs/dbraw/zinc/56/88/33/1132568833.db2.gz CEQZHIFKNYMOJB-UHFFFAOYSA-N -1 0 336.388 3.725 20 0 EHADRM Cc1cc(Nc2ccc(C(=O)[O-])c(F)c2)n(C(=O)OC(C)(C)C)n1 ZINC001175155588 1132569978 /nfs/dbraw/zinc/56/99/78/1132569978.db2.gz YTWDTMFNVORSTL-UHFFFAOYSA-N -1 0 335.335 3.556 20 0 EHADRM Cc1cc(Nc2ccc(C(=O)[O-])c(F)c2)n(Cc2ccccc2F)n1 ZINC001175158771 1132570516 /nfs/dbraw/zinc/57/05/16/1132570516.db2.gz RHQGZJVUFOHMPD-UHFFFAOYSA-N -1 0 343.333 3.960 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(F)nc2Br)cc1F ZINC001175162042 1132586110 /nfs/dbraw/zinc/58/61/10/1132586110.db2.gz XEWWRWXOWGTDJK-UHFFFAOYSA-N -1 0 329.100 3.564 20 0 EHADRM O=C(Cc1csc(Cc2ccc(F)cc2)n1)[N-]Oc1ccccc1 ZINC000773468495 1132590353 /nfs/dbraw/zinc/59/03/53/1132590353.db2.gz SWEWPMSDPKTBRB-UHFFFAOYSA-N -1 0 342.395 3.526 20 0 EHADRM CC(=O)N1CCc2ccc(Nc3ccc(C(=O)[O-])c(Cl)c3)cc21 ZINC001175318894 1132637258 /nfs/dbraw/zinc/63/72/58/1132637258.db2.gz KELPTKBUZANZTQ-UHFFFAOYSA-N -1 0 330.771 3.691 20 0 EHADRM CN(C(=O)OC(C)(C)C)c1ccc(Nc2cccc(C(=O)[O-])c2)cn1 ZINC001175328709 1132639968 /nfs/dbraw/zinc/63/99/68/1132639968.db2.gz MJRYODNQNNHWGF-UHFFFAOYSA-N -1 0 343.383 3.895 20 0 EHADRM O=C([O-])c1cccc(Nc2cc(Br)cc(F)c2O)c1 ZINC001175330944 1132640995 /nfs/dbraw/zinc/64/09/95/1132640995.db2.gz MTTAOXSLEIFWMQ-UHFFFAOYSA-N -1 0 326.121 3.736 20 0 EHADRM O=c1[n-]c(F)c(Cl)c(Nc2cnc3cccnc3c2)c1Cl ZINC001175355244 1132648439 /nfs/dbraw/zinc/64/84/39/1132648439.db2.gz MMMMCGGERCGAPV-UHFFFAOYSA-N -1 0 325.130 3.920 20 0 EHADRM C[C@H](CC1CCC1)NC(=O)c1cc(Br)cc(F)c1[O-] ZINC001169249792 1132708591 /nfs/dbraw/zinc/70/85/91/1132708591.db2.gz DPLDXCQMZJAUDA-MRVPVSSYSA-N -1 0 330.197 3.602 20 0 EHADRM O=C([O-])c1cncc(Nc2cc(F)c(F)c(F)c2Br)c1 ZINC001175842858 1132773334 /nfs/dbraw/zinc/77/33/34/1132773334.db2.gz RHHHGOZVXVGPHW-UHFFFAOYSA-N -1 0 347.090 3.703 20 0 EHADRM COc1cc(OC)c(Cl)c(Nc2cncc(C(=O)[O-])c2)c1Cl ZINC001175842882 1132773432 /nfs/dbraw/zinc/77/34/32/1132773432.db2.gz SHTYKNRXYLCFDY-UHFFFAOYSA-N -1 0 343.166 3.847 20 0 EHADRM Cc1c(F)c(Br)ccc1Nc1cncc(C(=O)[O-])c1 ZINC001175842370 1132773682 /nfs/dbraw/zinc/77/36/82/1132773682.db2.gz CXONVKBLYGWTHL-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM Cc1cc(F)c(Br)c(Nc2cncc(C(=O)[O-])c2)c1 ZINC001175846395 1132774568 /nfs/dbraw/zinc/77/45/68/1132774568.db2.gz BWEXIZJXRXPJJU-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM CC1(C)c2ccc(NCc3cc(=O)[n-]o3)cc2N(c2ccccc2)C1=O ZINC001169490850 1132775858 /nfs/dbraw/zinc/77/58/58/1132775858.db2.gz KQVKLLYWXIGEDC-UHFFFAOYSA-N -1 0 349.390 3.948 20 0 EHADRM Brc1nnc([N-]c2cnn(C3CCCCC3)c2)s1 ZINC001175878580 1132779399 /nfs/dbraw/zinc/77/93/99/1132779399.db2.gz IKSAHWSHLXOASB-UHFFFAOYSA-N -1 0 328.239 3.746 20 0 EHADRM O=C([O-])Cn1cc(Nc2cc(F)ccc2OC2CCCCC2)cn1 ZINC001176272153 1132898940 /nfs/dbraw/zinc/89/89/40/1132898940.db2.gz ARKUMTZVLPWRIK-UHFFFAOYSA-N -1 0 333.363 3.562 20 0 EHADRM Cc1nnc(CCC(=O)Nc2cc(Cl)c(C)c(Cl)c2[O-])s1 ZINC001176306730 1132909711 /nfs/dbraw/zinc/90/97/11/1132909711.db2.gz AVRBXAUEFKSGGQ-UHFFFAOYSA-N -1 0 346.239 3.739 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)c(F)c1 ZINC000766892876 1132911333 /nfs/dbraw/zinc/91/13/33/1132911333.db2.gz XDODYSRLKVIZTD-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N(CCC(=O)[O-])CC3CC3)[nH]c2c1 ZINC000766912930 1132913736 /nfs/dbraw/zinc/91/37/36/1132913736.db2.gz DZINCBGSLPSJEE-UHFFFAOYSA-N -1 0 328.412 3.618 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)N(CCC(=O)[O-])CC1CC1 ZINC000766920329 1132915040 /nfs/dbraw/zinc/91/50/40/1132915040.db2.gz MMKKGZFLLCQUBB-NKSUMMKUSA-N -1 0 345.439 3.590 20 0 EHADRM COc1ccc(Cn2ncc(C)c2Nc2csc(C(=O)[O-])c2)cc1 ZINC001176436968 1132929244 /nfs/dbraw/zinc/92/92/44/1132929244.db2.gz PUDKCBAPFVPERD-UHFFFAOYSA-N -1 0 343.408 3.752 20 0 EHADRM CC(C)(C)OC(=O)c1ccc(Nc2csc(C(=O)[O-])c2)c(O)c1 ZINC001176441008 1132930074 /nfs/dbraw/zinc/93/00/74/1132930074.db2.gz VLWFSKBCTLQRQH-UHFFFAOYSA-N -1 0 335.381 3.851 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3ccc4c(c3)OC(F)(F)O4)cc2)CC1 ZINC001176587216 1132960695 /nfs/dbraw/zinc/96/06/95/1132960695.db2.gz WJNNGBSEXFPQPI-UHFFFAOYSA-N -1 0 333.290 3.868 20 0 EHADRM CCOC(=O)c1c(Nc2ccc(C3(C(=O)[O-])CC3)cc2)ccn1CC ZINC001176587110 1132960815 /nfs/dbraw/zinc/96/08/15/1132960815.db2.gz UVIADAQYFZJPGD-UHFFFAOYSA-N -1 0 342.395 3.545 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3cccc(Cn4ccnc4)c3)cc2)CC1 ZINC001176589136 1132962535 /nfs/dbraw/zinc/96/25/35/1132962535.db2.gz CJEVTYPXBOYFJK-UHFFFAOYSA-N -1 0 333.391 3.791 20 0 EHADRM CC(C)(C)c1cc(Nc2ccc(/C=C/C(=O)[O-])cc2)c(C(N)=O)s1 ZINC001176589839 1132962620 /nfs/dbraw/zinc/96/26/20/1132962620.db2.gz OKCMBFIEPYFVQQ-RMKNXTFCSA-N -1 0 344.436 3.986 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3ccc4c(c3)C(=O)N(C3CC3)C4)cc2)CC1 ZINC001176589526 1132962687 /nfs/dbraw/zinc/96/26/87/1132962687.db2.gz XLVOATUCSSKSEO-UHFFFAOYSA-N -1 0 348.402 3.665 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2cnc3cc(C4CCC4)nn3c2)cc1 ZINC001176594712 1132963297 /nfs/dbraw/zinc/96/32/97/1132963297.db2.gz YEHRFDNFKSUKRV-RMKNXTFCSA-N -1 0 334.379 3.838 20 0 EHADRM COc1cc(OC)c(OC)cc1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176595258 1132963351 /nfs/dbraw/zinc/96/33/51/1132963351.db2.gz HFSGDFQLDHKWPL-RMKNXTFCSA-N -1 0 329.352 3.554 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2ccc3nnc(C4CCC4)n3c2)cc1 ZINC001176594014 1132963812 /nfs/dbraw/zinc/96/38/12/1132963812.db2.gz LCEHTPVJUSLLQF-IZZDOVSWSA-N -1 0 334.379 3.838 20 0 EHADRM COC(=O)c1c(Cl)cccc1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176595554 1132964136 /nfs/dbraw/zinc/96/41/36/1132964136.db2.gz LRKSZZIBRYGUFA-JXMROGBWSA-N -1 0 331.755 3.968 20 0 EHADRM COC(=O)c1cc(Nc2ccc(/C=C/C(=O)[O-])cc2)c(F)cc1F ZINC001176595659 1132964520 /nfs/dbraw/zinc/96/45/20/1132964520.db2.gz SGURJYSFMYAUCP-QPJJXVBHSA-N -1 0 333.290 3.593 20 0 EHADRM CN(c1ccc(/C=C/C(=O)[O-])cc1)c1c(N)cccc1Br ZINC001176595658 1132964670 /nfs/dbraw/zinc/96/46/70/1132964670.db2.gz OCELVYLMPSFFRK-JXMROGBWSA-N -1 0 347.212 3.897 20 0 EHADRM CC1(C)CNC(=O)c2ccc(Nc3ccc(/C=C/C(=O)[O-])cc3)cc21 ZINC001176597065 1132967910 /nfs/dbraw/zinc/96/79/10/1132967910.db2.gz LMTUIPVHNCZNPU-BJMVGYQFSA-N -1 0 336.391 3.549 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2ccc(-c3ccncc3)cc2)cc1 ZINC001176697322 1132984289 /nfs/dbraw/zinc/98/42/89/1132984289.db2.gz CZMGTNGQWCIDOW-UHFFFAOYSA-N -1 0 326.377 3.739 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc3nnc(-c4cccc(F)c4)n3c2)cc1 ZINC001176710010 1132994999 /nfs/dbraw/zinc/99/49/99/1132994999.db2.gz BVESCVATSNDPQR-UHFFFAOYSA-N -1 0 348.337 3.977 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(N3CCOCC3)c(Cl)c2)cc1 ZINC001176712292 1132995115 /nfs/dbraw/zinc/99/51/15/1132995115.db2.gz OLRDIGOWGRIWAE-UHFFFAOYSA-N -1 0 332.787 3.618 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)C1(CC(C)C)CCC1 ZINC000767551625 1133017117 /nfs/dbraw/zinc/01/71/17/1133017117.db2.gz SIGDFFUGYFNICW-UHFFFAOYSA-N -1 0 343.876 3.670 20 0 EHADRM C[C@@]1(Cc2ccccc2)SCCN1C(=O)c1c([O-])cccc1F ZINC001178170555 1133144052 /nfs/dbraw/zinc/14/40/52/1133144052.db2.gz UPRFPCWVAIFVSA-SFHVURJKSA-N -1 0 331.412 3.679 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)C=Cc2cccc(Cl)c2)c2n[nH]cc21 ZINC000768882430 1133196716 /nfs/dbraw/zinc/19/67/16/1133196716.db2.gz GWKZWTLCTGUDKU-FPLPWBNLSA-N -1 0 347.827 3.937 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N[C@@H]2CCCC3(CC3)C2)n1 ZINC001178995358 1133219492 /nfs/dbraw/zinc/21/94/92/1133219492.db2.gz WQJRLFRYOJHAHW-OAHLLOKOSA-N -1 0 339.439 3.593 20 0 EHADRM CCCCCCn1c2ccccc2nc1SCc1n[nH]c(=O)[n-]1 ZINC000769277372 1133253771 /nfs/dbraw/zinc/25/37/71/1133253771.db2.gz IWBGOFPVKZKJTF-UHFFFAOYSA-N -1 0 331.445 3.733 20 0 EHADRM CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]2C(=O)Nc2ccccc2[S-])C1 ZINC001179485163 1133254156 /nfs/dbraw/zinc/25/41/56/1133254156.db2.gz LICZMEJMYBZLMN-KZULUSFZSA-N -1 0 348.468 3.561 20 0 EHADRM O=C(CCOc1cccc(F)c1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000769303002 1133256679 /nfs/dbraw/zinc/25/66/79/1133256679.db2.gz XQLPUDCNVSADLC-UHFFFAOYSA-N -1 0 332.356 3.663 20 0 EHADRM Cc1cc(=O)[nH]c(-c2cccc(OC(=O)C[C@@H]3CCC[C@H]3C)c2)n1 ZINC000769300784 1133257152 /nfs/dbraw/zinc/25/71/52/1133257152.db2.gz UJXHQJMQGZQMPL-OCCSQVGLSA-N -1 0 326.396 3.889 20 0 EHADRM CC(C)(C)OC(=O)NC1(C(=O)Nc2ccccc2[S-])CCCC1 ZINC001179679323 1133274053 /nfs/dbraw/zinc/27/40/53/1133274053.db2.gz VGKOYCFISPZVMI-UHFFFAOYSA-N -1 0 336.457 3.751 20 0 EHADRM Cc1ccc(-c2cc(C(=O)N[C@@H](C)CC(=O)[O-])c3ccccc3n2)cc1 ZINC000769462943 1133296874 /nfs/dbraw/zinc/29/68/74/1133296874.db2.gz SSFGZEJAFWYRSE-AWEZNQCLSA-N -1 0 348.402 3.803 20 0 EHADRM C/C(=C\C(=O)NCc1ccc(C(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000769506744 1133304187 /nfs/dbraw/zinc/30/41/87/1133304187.db2.gz AVNQFXQQDAYZFM-FMIVXFBMSA-N -1 0 329.783 3.758 20 0 EHADRM Cc1cc(NC(=O)C2(C(=O)[O-])CCCCC2)cc(C(F)(F)F)c1 ZINC001180436777 1133369425 /nfs/dbraw/zinc/36/94/25/1133369425.db2.gz SUXHMDXGQRFTDB-UHFFFAOYSA-N -1 0 329.318 3.987 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1ccnc(-n2ccnc2)c1 ZINC000770454195 1133432379 /nfs/dbraw/zinc/43/23/79/1133432379.db2.gz XAOJZLFVIJUNDE-UHFFFAOYSA-N -1 0 349.177 3.532 20 0 EHADRM Cc1ccc(N(C)[C@@H]2CCCN(C(=O)c3c([O-])cccc3F)C2)cc1 ZINC000773914869 1133479730 /nfs/dbraw/zinc/47/97/30/1133479730.db2.gz WHFVTEUZICRHKF-MRXNPFEDSA-N -1 0 342.414 3.581 20 0 EHADRM CCCC(=CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1)CCC ZINC000771254918 1133531642 /nfs/dbraw/zinc/53/16/42/1133531642.db2.gz VQVDKCOBGDQPPE-UHFFFAOYSA-N -1 0 329.849 3.672 20 0 EHADRM Cc1ncc(Br)cc1NCc1ccc(O)c(F)c1F ZINC001181921756 1133552027 /nfs/dbraw/zinc/55/20/27/1133552027.db2.gz UEKSRCDMSZGAHP-UHFFFAOYSA-N -1 0 329.144 3.748 20 0 EHADRM Cn1cc(-c2cccc(C(=O)Nc3cc(F)cc(Cl)c3[O-])c2)cn1 ZINC000771510467 1133568433 /nfs/dbraw/zinc/56/84/33/1133568433.db2.gz KDKOUYYAFXYWLW-UHFFFAOYSA-N -1 0 345.761 3.838 20 0 EHADRM O=C(Nc1cc(=O)[n-]c(Cl)n1)C1(c2cccc(Cl)c2)CCC1 ZINC001182231533 1133594080 /nfs/dbraw/zinc/59/40/80/1133594080.db2.gz HXLGLTOSRJVSRI-UHFFFAOYSA-N -1 0 338.194 3.549 20 0 EHADRM c1cn(Cc2ccccn2)nc1[N-]c1nc(-c2ccccc2)ns1 ZINC000772034593 1133630668 /nfs/dbraw/zinc/63/06/68/1133630668.db2.gz FHTJPJYSTVZJIN-UHFFFAOYSA-N -1 0 334.408 3.589 20 0 EHADRM CO[C@H]1CCC[C@H]1C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC001183112831 1133770463 /nfs/dbraw/zinc/77/04/63/1133770463.db2.gz SFHFBKXYKXQSMT-KCJUWKMLSA-N -1 0 348.624 3.562 20 0 EHADRM O=C(Cc1ccc([S-])cc1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC001183190313 1133777921 /nfs/dbraw/zinc/77/79/21/1133777921.db2.gz DTQBLWBDKHULBU-SFHVURJKSA-N -1 0 325.477 3.999 20 0 EHADRM C[C@@H]1CC[C@@H](CNC(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC001183348911 1133797405 /nfs/dbraw/zinc/79/74/05/1133797405.db2.gz FEDNCXZSRDDSKG-RKDXNWHRSA-N -1 0 346.652 3.974 20 0 EHADRM Cc1cc(=O)n(-c2ccc(N[C@@H](c3ccc(F)cc3)C(C)C)nn2)[n-]1 ZINC001170062847 1133888723 /nfs/dbraw/zinc/88/87/23/1133888723.db2.gz DPVLKRYLZMRSEO-GOSISDBHSA-N -1 0 341.390 3.538 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3n[n-]c4ccccc4c3=O)C2)cc1 ZINC000787793684 1134041953 /nfs/dbraw/zinc/04/19/53/1134041953.db2.gz DBDQPJZNMXBOCC-GDBMZVCRSA-N -1 0 347.418 3.662 20 0 EHADRM Cn1ccc2cccc([N-]S(=O)(=O)c3cccc(C(F)F)c3)c21 ZINC000788062682 1134072965 /nfs/dbraw/zinc/07/29/65/1134072965.db2.gz NYYWWRFLLQSIQD-UHFFFAOYSA-N -1 0 336.363 3.917 20 0 EHADRM COc1c(F)cccc1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185421221 1134081264 /nfs/dbraw/zinc/08/12/64/1134081264.db2.gz MEZOSUOBHMTEDG-UHFFFAOYSA-N -1 0 337.397 3.850 20 0 EHADRM O=C1CCc2c1cccc2[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185460476 1134092473 /nfs/dbraw/zinc/09/24/73/1134092473.db2.gz PWVQMILCUPVVFA-UHFFFAOYSA-N -1 0 343.429 3.831 20 0 EHADRM CC(=O)c1ccsc1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1 ZINC001185497501 1134099383 /nfs/dbraw/zinc/09/93/83/1134099383.db2.gz XLMGFBLIZHWXIL-UHFFFAOYSA-N -1 0 329.830 3.713 20 0 EHADRM COc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1 ZINC001185499410 1134100042 /nfs/dbraw/zinc/10/00/42/1134100042.db2.gz FTQONWGCBNIOSG-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM O=C([N-]Cc1nc(-c2cc3ccccc3o2)cs1)C(F)(F)F ZINC000774894657 1134106170 /nfs/dbraw/zinc/10/61/70/1134106170.db2.gz WLXAIDPVDSMXNL-UHFFFAOYSA-N -1 0 326.299 3.735 20 0 EHADRM C[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)Nc1nc(C2CC2)cs1 ZINC000788323547 1134113380 /nfs/dbraw/zinc/11/33/80/1134113380.db2.gz WTQXQELLAZTKCN-NSHDSACASA-N -1 0 345.424 3.700 20 0 EHADRM Cc1ccc2c(cccc2[N-]S(=O)(=O)c2ccc(Cl)nc2)c1 ZINC001185688320 1134119775 /nfs/dbraw/zinc/11/97/75/1134119775.db2.gz ZNBZZMQHLWBSBE-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccc(Cl)nc1C ZINC000788490496 1134131746 /nfs/dbraw/zinc/13/17/46/1134131746.db2.gz HVNVOZIBHGFMIH-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000788754088 1134164929 /nfs/dbraw/zinc/16/49/29/1134164929.db2.gz RTPGDIHLJCJIMI-UHFFFAOYSA-N -1 0 347.820 3.852 20 0 EHADRM O=C(Nc1cn2cc(Br)ccc2n1)c1cccc([S-])c1 ZINC001186130767 1134173253 /nfs/dbraw/zinc/17/32/53/1134173253.db2.gz ZQNUWKUGWSNMQS-UHFFFAOYSA-N -1 0 348.225 3.638 20 0 EHADRM Cc1ccc([C@@]2(C)CN(C(=O)c3cccc([S-])c3)CCO2)cc1 ZINC001186149044 1134175576 /nfs/dbraw/zinc/17/55/76/1134175576.db2.gz LXYLROSSRBBYDV-LJQANCHMSA-N -1 0 327.449 3.672 20 0 EHADRM CC(C)(C)OC(=O)c1ccc(NC(=O)c2cccc([S-])c2)c(O)c1 ZINC001186155434 1134176005 /nfs/dbraw/zinc/17/60/05/1134176005.db2.gz DHXHKBYIDGRPHL-UHFFFAOYSA-N -1 0 345.420 3.889 20 0 EHADRM C[C@H](O)c1ccccc1[N-]S(=O)(=O)c1csc2ccccc21 ZINC001186499307 1134223268 /nfs/dbraw/zinc/22/32/68/1134223268.db2.gz VYGKPJWRFGVHDF-NSHDSACASA-N -1 0 333.434 3.755 20 0 EHADRM O=S(=O)([N-]c1cccc2c1COC2)c1csc2ccccc21 ZINC001186499153 1134223518 /nfs/dbraw/zinc/22/35/18/1134223518.db2.gz STVZHRQZZKPUOM-UHFFFAOYSA-N -1 0 331.418 3.732 20 0 EHADRM Cn1cnc2c1cccc2[N-]S(=O)(=O)c1csc2ccccc21 ZINC001186509055 1134226687 /nfs/dbraw/zinc/22/66/87/1134226687.db2.gz QKYIRPYBLICCDF-UHFFFAOYSA-N -1 0 343.433 3.589 20 0 EHADRM Cn1nccc1[N-]S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC001186606991 1134239721 /nfs/dbraw/zinc/23/97/21/1134239721.db2.gz GLRROXHHGMSMAF-UHFFFAOYSA-N -1 0 347.827 3.541 20 0 EHADRM O=C(Nc1ccnc(Cl)c1Cl)c1cc(F)c(F)c([O-])c1F ZINC001186770234 1134255978 /nfs/dbraw/zinc/25/59/78/1134255978.db2.gz BGOFSZGKQZUHDD-UHFFFAOYSA-N -1 0 337.084 3.764 20 0 EHADRM O=S(=O)([N-][C@H](c1cccc(Cl)c1)C(F)(F)F)c1ccco1 ZINC001186869357 1134264115 /nfs/dbraw/zinc/26/41/15/1134264115.db2.gz LUKMIVSFDWFDPA-LLVKDONJSA-N -1 0 339.722 3.515 20 0 EHADRM CC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc3c(s2)CCCC3)c1 ZINC001187209532 1134314682 /nfs/dbraw/zinc/31/46/82/1134314682.db2.gz PKIBETCTRBUNCR-UHFFFAOYSA-N -1 0 349.477 3.939 20 0 EHADRM CC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000790071613 1134362840 /nfs/dbraw/zinc/36/28/40/1134362840.db2.gz MGXMBBVFPRXADC-UHFFFAOYSA-N -1 0 341.791 3.791 20 0 EHADRM CC(C)(C)COc1c(F)cccc1[N-]S(=O)(=O)c1nccs1 ZINC001187899882 1134394783 /nfs/dbraw/zinc/39/47/83/1134394783.db2.gz YEOFDGVIHWMLTM-UHFFFAOYSA-N -1 0 344.433 3.508 20 0 EHADRM COc1ccc(Cl)cc1NC(=O)Nc1ncc(Cl)cc1[O-] ZINC001187904787 1134395643 /nfs/dbraw/zinc/39/56/43/1134395643.db2.gz SNSONPMWTCVQQS-UHFFFAOYSA-N -1 0 328.155 3.747 20 0 EHADRM Cc1ccc(NC(=O)Nc2ncc(Br)cc2[O-])cc1F ZINC001187957356 1134405168 /nfs/dbraw/zinc/40/51/68/1134405168.db2.gz NAZAJWDFXGJRGU-UHFFFAOYSA-N -1 0 340.152 3.641 20 0 EHADRM O=S(=O)(/C=C\c1cccc(Cl)c1)[N-]c1nccc2ccncc21 ZINC000790644359 1134450732 /nfs/dbraw/zinc/45/07/32/1134450732.db2.gz PFPKNJBVZMXYAT-TWGQIWQCSA-N -1 0 345.811 3.696 20 0 EHADRM O=S(=O)([N-]c1nccc2ccncc21)c1cccc2ccccc21 ZINC000790645743 1134451095 /nfs/dbraw/zinc/45/10/95/1134451095.db2.gz YIAWDSJHZKHXPX-UHFFFAOYSA-N -1 0 335.388 3.584 20 0 EHADRM O=S(=O)([N-]c1cncs1)c1ccc(-c2ccc(F)cc2)cc1 ZINC001188428909 1134462124 /nfs/dbraw/zinc/46/21/24/1134462124.db2.gz CQZGUYJJTKDVSM-UHFFFAOYSA-N -1 0 334.397 3.750 20 0 EHADRM O=S(=O)([N-]c1ccccc1OCc1ccccc1)c1ccoc1 ZINC001188607520 1134481310 /nfs/dbraw/zinc/48/13/10/1134481310.db2.gz GYNSRONFUFRKAT-UHFFFAOYSA-N -1 0 329.377 3.659 20 0 EHADRM CC(C)(c1ccc(N)cc1)c1ccc(NC(=O)c2ccncc2[O-])cc1 ZINC001188637396 1134492429 /nfs/dbraw/zinc/49/24/29/1134492429.db2.gz XXRMQAGQUVOJPP-UHFFFAOYSA-N -1 0 347.418 3.948 20 0 EHADRM CC(=O)c1cccc(S(=O)(=O)[N-]c2c(O)ccc3ccccc32)c1 ZINC001189232862 1134554433 /nfs/dbraw/zinc/55/44/33/1134554433.db2.gz UGKLOKYRHBTVMN-UHFFFAOYSA-N -1 0 341.388 3.549 20 0 EHADRM CC1(C)CCc2ccccc2[C@H](NS(=O)(=O)c2ccccc2[O-])C1 ZINC001189570020 1134601896 /nfs/dbraw/zinc/60/18/96/1134601896.db2.gz KGLBVZUETXAUDA-MRXNPFEDSA-N -1 0 345.464 3.774 20 0 EHADRM O=S(=O)(Cc1cc(F)ccc1F)Nc1cc(Cl)ccc1[S-] ZINC001189686116 1134610607 /nfs/dbraw/zinc/61/06/07/1134610607.db2.gz AKUAACLNXHITRM-UHFFFAOYSA-N -1 0 349.811 3.849 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2OC)s1 ZINC000775295963 1134616644 /nfs/dbraw/zinc/61/66/44/1134616644.db2.gz WLWNRQNXNAGVEY-UHFFFAOYSA-N -1 0 331.846 3.773 20 0 EHADRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C)c(F)c1 ZINC000775297232 1134619779 /nfs/dbraw/zinc/61/97/79/1134619779.db2.gz OYJBNWQGIKCZNH-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM COc1ccc(-c2ocnc2C(=O)Nc2ccccc2[S-])cc1 ZINC001190225864 1134669389 /nfs/dbraw/zinc/66/93/89/1134669389.db2.gz PSPCQYKCTUEOFN-UHFFFAOYSA-N -1 0 326.377 3.891 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1Cl)S(=O)(=O)[N-]C(=O)C1=CCCC1 ZINC000772791129 1134671323 /nfs/dbraw/zinc/67/13/23/1134671323.db2.gz MBXZZYUEQDGFRK-VIFPVBQESA-N -1 0 348.251 3.611 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)CCCC2)c1cc(F)cc(F)c1F ZINC001190390034 1134689435 /nfs/dbraw/zinc/68/94/35/1134689435.db2.gz DGRBWKLXBIRSEJ-UHFFFAOYSA-N -1 0 341.354 3.784 20 0 EHADRM CCOc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)CC)cc2)no1 ZINC001190431662 1134699380 /nfs/dbraw/zinc/69/93/80/1134699380.db2.gz KKILPZLKSYCEFB-UHFFFAOYSA-N -1 0 338.429 3.562 20 0 EHADRM O=S(=O)([N-]c1nc(C(F)(F)F)cs1)c1ccc(C2CC2)cc1 ZINC001190467477 1134706021 /nfs/dbraw/zinc/70/60/21/1134706021.db2.gz CJEVEEQOGPAZKR-UHFFFAOYSA-N -1 0 348.371 3.840 20 0 EHADRM O=S(=O)([N-]c1cnc2ccc(O)cc2c1)c1ccc(C2CC2)cc1 ZINC001190469175 1134706215 /nfs/dbraw/zinc/70/62/15/1134706215.db2.gz HJZRDOXZMSBCQI-UHFFFAOYSA-N -1 0 340.404 3.619 20 0 EHADRM CC(C)(C)c1nnc(NC(=O)c2csc(-c3cccs3)n2)o1 ZINC001190565482 1134718376 /nfs/dbraw/zinc/71/83/76/1134718376.db2.gz HPCAMAJMSUEPRK-UHFFFAOYSA-N -1 0 334.426 3.804 20 0 EHADRM CSc1ccc(-c2cccc([N-]S(=O)(=O)c3ncc[nH]3)c2)cc1 ZINC001190728932 1134743302 /nfs/dbraw/zinc/74/33/02/1134743302.db2.gz CJLNDQNRWOULES-UHFFFAOYSA-N -1 0 345.449 3.599 20 0 EHADRM CCc1ccc(C)nc1[N-]S(=O)(=O)c1cccc2cc(C)cnc21 ZINC001191144606 1134812465 /nfs/dbraw/zinc/81/24/65/1134812465.db2.gz MAOFOTXBIFEMEY-UHFFFAOYSA-N -1 0 341.436 3.610 20 0 EHADRM COc1cc(Nc2ccc(C(=O)[O-])cc2F)c(OC)cc1Cl ZINC001203288524 1134833524 /nfs/dbraw/zinc/83/35/24/1134833524.db2.gz VHSCKYMFOHWVED-UHFFFAOYSA-N -1 0 325.723 3.938 20 0 EHADRM CCn1ncc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2Cl)c1C ZINC001191727914 1134905857 /nfs/dbraw/zinc/90/58/57/1134905857.db2.gz BVPZJINWHYCIOD-UHFFFAOYSA-N -1 0 348.255 3.627 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2cnccc2c1 ZINC001191780355 1134920595 /nfs/dbraw/zinc/92/05/95/1134920595.db2.gz PHPWLHHQLIVJAJ-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cccc2ncsc21 ZINC001191822027 1134929925 /nfs/dbraw/zinc/92/99/25/1134929925.db2.gz TUNWWZRNHLXATG-UHFFFAOYSA-N -1 0 348.449 3.804 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(C)c(OC)c1 ZINC001191821348 1134930878 /nfs/dbraw/zinc/93/08/78/1134930878.db2.gz KTGOIKDUWZPUAP-UHFFFAOYSA-N -1 0 335.425 3.512 20 0 EHADRM O=S(=O)(Cc1ccc(Cl)cc1F)[N-]c1cc(C2CCC2)no1 ZINC001191867186 1134937328 /nfs/dbraw/zinc/93/73/28/1134937328.db2.gz XTQYGRRKUQGODD-UHFFFAOYSA-N -1 0 344.795 3.677 20 0 EHADRM COc1ccc2cc(S(=O)(=O)[N-]c3cccc(Cl)n3)ccc2c1 ZINC001191936311 1134943931 /nfs/dbraw/zinc/94/39/31/1134943931.db2.gz KEHQDKYYYPGTLJ-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM CC(C)OCc1cccc([N-]S(=O)(=O)C(Cl)(Cl)Cl)c1 ZINC001192034044 1134957927 /nfs/dbraw/zinc/95/79/27/1134957927.db2.gz AEFIZIUDPMUNLW-UHFFFAOYSA-N -1 0 346.663 3.681 20 0 EHADRM COC(=O)[C@@H]1C[C@H]1c1ccc(C(=O)Nc2ccccc2[S-])cc1 ZINC001192191110 1134977178 /nfs/dbraw/zinc/97/71/78/1134977178.db2.gz SSSBFRTWUNPRTD-UONOGXRCSA-N -1 0 327.405 3.504 20 0 EHADRM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cnc(Cl)cc2C)on1 ZINC001192310032 1134997325 /nfs/dbraw/zinc/99/73/25/1134997325.db2.gz FFZOUXMWRWQRRP-VIFPVBQESA-N -1 0 343.836 3.736 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cnc(Cl)cc2C)cc1Cl ZINC001192303301 1135002279 /nfs/dbraw/zinc/00/22/79/1135002279.db2.gz HTOYZVNEZZCDMN-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM CC(=O)c1ccc(NC(=O)c2nc(C(F)(F)F)cs2)c(F)c1 ZINC001192458991 1135022977 /nfs/dbraw/zinc/02/29/77/1135022977.db2.gz XIOJFQPKRJNMQR-UHFFFAOYSA-N -1 0 332.278 3.756 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc3ccccc3cc2O)cnc1Cl ZINC001192570687 1135031671 /nfs/dbraw/zinc/03/16/71/1135031671.db2.gz RDHGDIBBKDACPT-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM O=C(Nc1c(Cl)ccc([O-])c1Cl)c1cc(O)cc(F)c1F ZINC001192665589 1135047379 /nfs/dbraw/zinc/04/73/79/1135047379.db2.gz OOEAREDTHIDDEH-UHFFFAOYSA-N -1 0 334.105 3.935 20 0 EHADRM O=C(c1ccc(F)c(F)c1[O-])N1CCC[C@@H](Cc2ccccc2)C1 ZINC001192796825 1135056282 /nfs/dbraw/zinc/05/62/82/1135056282.db2.gz UIBVDBGHTHTHLN-AWEZNQCLSA-N -1 0 331.362 3.765 20 0 EHADRM O=C(Nc1ncccc1-c1ccccc1)c1ccc([O-])c(F)c1F ZINC001192828389 1135060298 /nfs/dbraw/zinc/06/02/98/1135060298.db2.gz SJEYJWYOCNSLAJ-UHFFFAOYSA-N -1 0 326.302 3.985 20 0 EHADRM Cc1cc(OC(F)F)ccc1NC(=O)c1ccc([O-])c(F)c1F ZINC001192841218 1135063946 /nfs/dbraw/zinc/06/39/46/1135063946.db2.gz WVSICKUTDPRGIE-UHFFFAOYSA-N -1 0 329.249 3.833 20 0 EHADRM O=C(NCC1(c2ccc(Cl)cc2)CC1)c1ccc([O-])c(F)c1F ZINC001192842226 1135064096 /nfs/dbraw/zinc/06/40/96/1135064096.db2.gz GTXCNHRELSUZHV-UHFFFAOYSA-N -1 0 337.753 3.785 20 0 EHADRM O=S(=O)(C[C@@H]1CCCO1)[N-]c1cccc2c3ccccc3oc21 ZINC001193273188 1135120771 /nfs/dbraw/zinc/12/07/71/1135120771.db2.gz BHOSAWJRWOGRGQ-LBPRGKRZSA-N -1 0 331.393 3.507 20 0 EHADRM CC(C)(C)COc1ccc(F)cc1[N-]S(=O)(=O)CC1CCC1 ZINC001193524119 1135152373 /nfs/dbraw/zinc/15/23/73/1135152373.db2.gz XZZWQISWFFYWLM-UHFFFAOYSA-N -1 0 329.437 3.792 20 0 EHADRM O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1ccc(F)c([O-])c1F ZINC001193794091 1135180807 /nfs/dbraw/zinc/18/08/07/1135180807.db2.gz XOWUSCNODNPECF-ZDUSSCGKSA-N -1 0 331.240 3.704 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c2ccccc12 ZINC001193824635 1135189356 /nfs/dbraw/zinc/18/93/56/1135189356.db2.gz NLEQJGUZZAZCCV-UHFFFAOYSA-N -1 0 341.388 3.678 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nccnc2C2CC2)c2ccccc12 ZINC001193833593 1135190805 /nfs/dbraw/zinc/19/08/05/1135190805.db2.gz NHISVTXDRZCYOS-UHFFFAOYSA-N -1 0 339.420 3.616 20 0 EHADRM COCCCO[N-]C(=O)CSc1cccc2cccc(Cl)c21 ZINC000805041394 1135228564 /nfs/dbraw/zinc/22/85/64/1135228564.db2.gz ZJCUNYSFECCAKV-UHFFFAOYSA-N -1 0 339.844 3.670 20 0 EHADRM COc1ccc(C(=O)Nc2cc(Cl)c([O-])cc2F)c(C)c1OC ZINC000805255742 1135253743 /nfs/dbraw/zinc/25/37/43/1135253743.db2.gz XMCYNMUHJPFLOM-UHFFFAOYSA-N -1 0 339.750 3.763 20 0 EHADRM CC(=O)Nc1cc(C(=O)Nc2cc(Cl)c([O-])cc2F)ccc1F ZINC000805255502 1135253812 /nfs/dbraw/zinc/25/38/12/1135253812.db2.gz UKOXYYPBAKWVIV-UHFFFAOYSA-N -1 0 340.713 3.535 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cccc(N2CCCC2=O)c1 ZINC000805259274 1135254767 /nfs/dbraw/zinc/25/47/67/1135254767.db2.gz QLTPUVIFPSULDG-UHFFFAOYSA-N -1 0 348.761 3.564 20 0 EHADRM O=S(=O)([N-]c1nonc1C1CC1)c1cccc2c(Cl)cccc21 ZINC001194412129 1135266784 /nfs/dbraw/zinc/26/67/84/1135266784.db2.gz CAICLPUECUASLM-UHFFFAOYSA-N -1 0 349.799 3.554 20 0 EHADRM Cc1ccc(OC(=O)Nc2ccc(S(=O)(=O)[O-])cc2Cl)cc1 ZINC001194462730 1135270407 /nfs/dbraw/zinc/27/04/07/1135270407.db2.gz GCKQNIMXCIDZIY-UHFFFAOYSA-N -1 0 341.772 3.506 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ncccc2C(F)(F)F)c(C)c1 ZINC001194524555 1135281155 /nfs/dbraw/zinc/28/11/55/1135281155.db2.gz TZRPIILTLUOHMF-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM CCCc1cccc([N-]S(=O)(=O)c2ncccc2C(F)(F)F)c1 ZINC001194576231 1135287962 /nfs/dbraw/zinc/28/79/62/1135287962.db2.gz KAZBJJFKDWDRTL-UHFFFAOYSA-N -1 0 344.358 3.854 20 0 EHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1O ZINC001194642080 1135295333 /nfs/dbraw/zinc/29/53/33/1135295333.db2.gz FKTNLVJLMHRWHP-UHFFFAOYSA-N -1 0 345.342 3.829 20 0 EHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1cccc2c1C(=O)CCC2 ZINC001194643052 1135296389 /nfs/dbraw/zinc/29/63/89/1135296389.db2.gz PNLJSHGBOBXOAZ-UHFFFAOYSA-N -1 0 329.421 3.623 20 0 EHADRM COc1ncccc1S(=O)(=O)[N-]c1cccc(-c2ccccc2)c1 ZINC001194706986 1135310739 /nfs/dbraw/zinc/31/07/39/1135310739.db2.gz YBKPZKFEURZYKN-UHFFFAOYSA-N -1 0 340.404 3.558 20 0 EHADRM Cc1cnc(C)c(C(=O)Nc2cc(Cl)c(C)c(Cl)c2[O-])n1 ZINC001194919089 1135340406 /nfs/dbraw/zinc/34/04/06/1135340406.db2.gz SAHUCKNZMXBDIW-UHFFFAOYSA-N -1 0 326.183 3.667 20 0 EHADRM CN1C(=O)CC(C)(C)c2cc(Nc3ccc(C(=O)[O-])cc3F)ccc21 ZINC001203299061 1135351942 /nfs/dbraw/zinc/35/19/42/1135351942.db2.gz GSJVGTGTOSSCDI-UHFFFAOYSA-N -1 0 342.370 3.912 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2ccnc(C(C)(C)C)n2)c1 ZINC001195120202 1135372447 /nfs/dbraw/zinc/37/24/47/1135372447.db2.gz FFSWPBHBZPZHFU-UHFFFAOYSA-N -1 0 333.457 3.698 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(C(F)F)cn1 ZINC001195284817 1135407500 /nfs/dbraw/zinc/40/75/00/1135407500.db2.gz QBUDGXBNLLPNDT-UHFFFAOYSA-N -1 0 332.759 3.782 20 0 EHADRM Cc1cc(C)c(O)c([N-]S(=O)(=O)c2c(C)cccc2Cl)c1 ZINC001195308466 1135411043 /nfs/dbraw/zinc/41/10/43/1135411043.db2.gz OXJNWDUSVNZEOR-UHFFFAOYSA-N -1 0 325.817 3.772 20 0 EHADRM COc1cc(C)cc([N-]S(=O)(=O)c2c(C)cccc2Cl)c1 ZINC001195309955 1135411670 /nfs/dbraw/zinc/41/16/70/1135411670.db2.gz QODMPQNFAHJZPU-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM Cc1cc(F)cc([N-]S(=O)(=O)c2c(C)cccc2Cl)c1O ZINC001195309899 1135412134 /nfs/dbraw/zinc/41/21/34/1135412134.db2.gz PXTBURGANNKFQN-UHFFFAOYSA-N -1 0 329.780 3.602 20 0 EHADRM O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cccc(Cl)c1[O-] ZINC000775652045 1135421564 /nfs/dbraw/zinc/42/15/64/1135421564.db2.gz FIEJQXNHCNAHPC-UHFFFAOYSA-N -1 0 344.798 3.534 20 0 EHADRM Cc1nc2ccccc2n1CCCNC(=O)c1cccc(Cl)c1[O-] ZINC000775659084 1135431817 /nfs/dbraw/zinc/43/18/17/1135431817.db2.gz VUPRHRYAEHFXGB-UHFFFAOYSA-N -1 0 343.814 3.524 20 0 EHADRM Cn1ccnc1-c1cccc(NC(=O)c2cccc(Cl)c2[O-])c1 ZINC000775664365 1135442164 /nfs/dbraw/zinc/44/21/64/1135442164.db2.gz MMFMHTPCAXRNPH-UHFFFAOYSA-N -1 0 327.771 3.698 20 0 EHADRM O=C(Nc1cc(N2CCCC2=O)ccc1F)c1cccc(Cl)c1[O-] ZINC000775665500 1135444803 /nfs/dbraw/zinc/44/48/03/1135444803.db2.gz QRQIIOGQWQDAGB-UHFFFAOYSA-N -1 0 348.761 3.564 20 0 EHADRM O=C(Nc1nc(-c2ccccc2)ns1)c1cccc(Cl)c1[O-] ZINC000775670406 1135458521 /nfs/dbraw/zinc/45/85/21/1135458521.db2.gz YMXSJZXJSVLRPD-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM CC(C)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC001196245799 1135540959 /nfs/dbraw/zinc/54/09/59/1135540959.db2.gz SXOMBMHPFNULJA-UHFFFAOYSA-N -1 0 328.796 3.798 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(CC(C)(C)C)no2)c(F)c1 ZINC001196346649 1135549609 /nfs/dbraw/zinc/54/96/09/1135549609.db2.gz CUTCSIWZSZVXSN-UHFFFAOYSA-N -1 0 326.393 3.512 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)C3CC3)cc2)c(F)c1 ZINC001196387020 1135553784 /nfs/dbraw/zinc/55/37/84/1135553784.db2.gz IHNBRFNEJAAQPV-UHFFFAOYSA-N -1 0 333.384 3.528 20 0 EHADRM Cc1nc2c(F)cccc2cc1NC(=O)c1cc(Cl)ncc1[O-] ZINC001196388886 1135553903 /nfs/dbraw/zinc/55/39/03/1135553903.db2.gz FBFXRSZTAXZOEA-UHFFFAOYSA-N -1 0 331.734 3.689 20 0 EHADRM COc1cc(F)c(Cl)cc1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC001196387647 1135554040 /nfs/dbraw/zinc/55/40/40/1135554040.db2.gz RHEULDHPMIWMKK-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM Cc1c(Br)cccc1S(=O)(=O)[N-]c1cccs1 ZINC001196522151 1135573118 /nfs/dbraw/zinc/57/31/18/1135573118.db2.gz AEMOAWZPXNZQQW-UHFFFAOYSA-N -1 0 332.244 3.620 20 0 EHADRM C[C@@H]1CN(C(=O)c2cccc(Cl)c2[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000775756321 1135643032 /nfs/dbraw/zinc/64/30/32/1135643032.db2.gz FWEIDIRWPUMSJW-BDJLRTHQSA-N -1 0 349.789 3.787 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2nc3ccccc3s2)cc1 ZINC001197069569 1135646622 /nfs/dbraw/zinc/64/66/22/1135646622.db2.gz KUALIAFTOHWARA-UHFFFAOYSA-N -1 0 329.406 3.803 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2ccc(Cl)nc2Cl)cc1 ZINC001197075152 1135647423 /nfs/dbraw/zinc/64/74/23/1135647423.db2.gz IJWYFOZTNMGPLO-UHFFFAOYSA-N -1 0 342.207 3.896 20 0 EHADRM Cc1cnccc1[C@@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)C1CC1 ZINC001197140317 1135649304 /nfs/dbraw/zinc/64/93/04/1135649304.db2.gz RQUAZTWBGGTHAV-INIZCTEOSA-N -1 0 341.436 3.526 20 0 EHADRM CC(=O)c1cccc(NC(=S)Nc2ccc(C(=O)[O-])cc2)c1C ZINC001197119907 1135652156 /nfs/dbraw/zinc/65/21/56/1135652156.db2.gz VUHOPSCXSJMSPQ-UHFFFAOYSA-N -1 0 328.393 3.705 20 0 EHADRM CC(C)Oc1ccc(CNC(=S)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001197127844 1135652466 /nfs/dbraw/zinc/65/24/66/1135652466.db2.gz DBOYKIDNVZXQKN-UHFFFAOYSA-N -1 0 344.436 3.659 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NCc2cc(F)ccc2Cl)cc1 ZINC001197128201 1135653225 /nfs/dbraw/zinc/65/32/25/1135653225.db2.gz JARYXAAPQUXVSV-UHFFFAOYSA-N -1 0 338.791 3.664 20 0 EHADRM Cc1ccc([C@@H](NC(=S)Nc2ccc(C(=O)[O-])cc2)C2CC2)nc1 ZINC001197147158 1135653926 /nfs/dbraw/zinc/65/39/26/1135653926.db2.gz KUJPBNWMZURDJC-INIZCTEOSA-N -1 0 341.436 3.526 20 0 EHADRM Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1nc2ccsc2s1 ZINC000808537284 1135690953 /nfs/dbraw/zinc/69/09/53/1135690953.db2.gz WBPNSAGBLXXIKN-UHFFFAOYSA-N -1 0 345.858 3.515 20 0 EHADRM O=S(=O)(Cc1c(F)cccc1F)Nc1csc2ncccc12 ZINC001197564878 1135706262 /nfs/dbraw/zinc/70/62/62/1135706262.db2.gz PAGGMQKELUFMAC-UHFFFAOYSA-N -1 0 340.376 3.516 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)c(F)c2)cn1 ZINC001198321565 1135800099 /nfs/dbraw/zinc/80/00/99/1135800099.db2.gz VWNHVMIJESHYKS-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM Cc1ccc(-c2ccccc2[N-]S(=O)(=O)c2ccc(C)nc2)o1 ZINC001198317157 1135800173 /nfs/dbraw/zinc/80/01/73/1135800173.db2.gz DWEMZECSNALVLK-UHFFFAOYSA-N -1 0 328.393 3.759 20 0 EHADRM COc1cc(Cl)c(NC(=O)c2n[n-]c3ccccc3c2=O)cc1C ZINC000809203643 1135803398 /nfs/dbraw/zinc/80/33/98/1135803398.db2.gz FKPHFVRSUMNYJB-UHFFFAOYSA-N -1 0 343.770 3.558 20 0 EHADRM [O-]c1c(Br)c(F)ccc1NC(=S)NC1CCCC1 ZINC001198553845 1135834709 /nfs/dbraw/zinc/83/47/09/1135834709.db2.gz ILBVNHTYFBLYJK-UHFFFAOYSA-N -1 0 333.226 3.523 20 0 EHADRM Cc1cc(=O)oc2cc(N(C)C(=O)c3ccc([O-])c(Cl)c3)ccc12 ZINC000805345772 1135846941 /nfs/dbraw/zinc/84/69/41/1135846941.db2.gz RYNJVRJUGFXIAB-UHFFFAOYSA-N -1 0 343.766 3.737 20 0 EHADRM Cc1ccc(NS(=O)(=O)c2ccccc2C(=O)[O-])c2ccccc12 ZINC001198782611 1135852757 /nfs/dbraw/zinc/85/27/57/1135852757.db2.gz LMVUXSAPUTWYBS-UHFFFAOYSA-N -1 0 341.388 3.647 20 0 EHADRM CSc1ccc(C)c(NC(=O)c2n[n-]c3ccccc3c2=O)c1 ZINC000775890292 1135854025 /nfs/dbraw/zinc/85/40/25/1135854025.db2.gz KEZZMIXUELGEQD-UHFFFAOYSA-N -1 0 325.393 3.618 20 0 EHADRM Cc1cc(C(=O)Nc2ccc3[n-]c(=S)sc3c2)n(CC(C)C)n1 ZINC001199093071 1135880888 /nfs/dbraw/zinc/88/08/88/1135880888.db2.gz VXWQGORRMGBARM-UHFFFAOYSA-N -1 0 346.481 3.998 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1sc2ccccc2c1Cl)C(=O)[O-] ZINC000037406849 1135905843 /nfs/dbraw/zinc/90/58/43/1135905843.db2.gz WIVCGFSESLKVTA-SNVBAGLBSA-N -1 0 325.817 3.784 20 0 EHADRM O=C([O-])c1c(F)cc(Nc2cnc3c(C4CCC4)cnn3c2)cc1F ZINC001203322611 1135912119 /nfs/dbraw/zinc/91/21/19/1135912119.db2.gz HCHXBVBNYLITNL-UHFFFAOYSA-N -1 0 344.321 3.717 20 0 EHADRM O=C(Nc1c(Cl)ccc([O-])c1Cl)c1cncn1CC1CCC1 ZINC001199608889 1135914523 /nfs/dbraw/zinc/91/45/23/1135914523.db2.gz INEOXMWGDGBFKR-UHFFFAOYSA-N -1 0 340.210 3.948 20 0 EHADRM Cc1c(Cl)onc1C(=O)Nc1ccc2[n-]c(=S)sc2c1 ZINC001199674452 1135918214 /nfs/dbraw/zinc/91/82/14/1135918214.db2.gz AZOQMTWEAMIXTA-UHFFFAOYSA-N -1 0 325.802 3.787 20 0 EHADRM Cc1c(Cl)onc1C(=O)[N-]c1nc(F)cc(C(F)(F)F)c1F ZINC001199669785 1135918345 /nfs/dbraw/zinc/91/83/45/1135918345.db2.gz HAFOXSCDOIWMDC-UHFFFAOYSA-N -1 0 341.623 3.581 20 0 EHADRM CCC1(c2noc([C@@H]([N-]C(=O)C(F)(F)F)C(C)C)n2)CCCC1 ZINC000810310154 1135956676 /nfs/dbraw/zinc/95/66/76/1135956676.db2.gz LDIDEVGYUBQUQA-JTQLQIEISA-N -1 0 333.354 3.667 20 0 EHADRM CC(C)(C)NC(=S)Nc1c([O-])c(Br)ccc1Cl ZINC001200913841 1135965151 /nfs/dbraw/zinc/96/51/51/1135965151.db2.gz HDBLTHXSELITDS-UHFFFAOYSA-N -1 0 337.670 3.893 20 0 EHADRM Cc1cc(C)c(NS(=O)(=O)/C=C\c2ccc(F)cc2)c(C(=O)[O-])c1 ZINC000747612037 1135977043 /nfs/dbraw/zinc/97/70/43/1135977043.db2.gz OKVLRPWBSZPDIC-FPLPWBNLSA-N -1 0 349.383 3.553 20 0 EHADRM O=S(=O)([N-]c1cccs1)c1ccc(Oc2ccncc2)cc1 ZINC001201595305 1136044278 /nfs/dbraw/zinc/04/42/78/1136044278.db2.gz RKBOYDVKGFLYOL-UHFFFAOYSA-N -1 0 332.406 3.736 20 0 EHADRM COc1c(O)cccc1[N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC001201799644 1136063821 /nfs/dbraw/zinc/06/38/21/1136063821.db2.gz UHUZMHJJBAANLQ-UHFFFAOYSA-N -1 0 349.452 3.744 20 0 EHADRM COc1ccccc1NC(=O)Nc1c(C)c(=O)[n-]n1-c1ccccc1 ZINC001202136370 1136098869 /nfs/dbraw/zinc/09/88/69/1136098869.db2.gz YFYUAMMBQLEGQT-UHFFFAOYSA-N -1 0 338.367 3.539 20 0 EHADRM Cc1ccccc1NC(=O)Nc1ccc(S(=O)(=O)[O-])cc1Cl ZINC001202186452 1136107524 /nfs/dbraw/zinc/10/75/24/1136107524.db2.gz GYKZDZXXYLYSKJ-UHFFFAOYSA-N -1 0 340.788 3.539 20 0 EHADRM CSc1cc(C)ccc1CNC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811821728 1136145354 /nfs/dbraw/zinc/14/53/54/1136145354.db2.gz OPSTVAULSVASEP-UHFFFAOYSA-N -1 0 349.839 3.999 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)Nc2cnc3ccccc3c2)c1 ZINC000811821212 1136145633 /nfs/dbraw/zinc/14/56/33/1136145633.db2.gz BFHQKSKIOYORQU-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)c3coc(C4CCCCC4)n3)[nH][n-]2)o1 ZINC000338916406 1136162734 /nfs/dbraw/zinc/16/27/34/1136162734.db2.gz CMZCULLIVBWDFP-UHFFFAOYSA-N -1 0 340.383 3.688 20 0 EHADRM O=S(=O)([N-]c1cc2c(cn1)CCCC2)c1ccc(F)c(Cl)c1 ZINC000812329343 1136195391 /nfs/dbraw/zinc/19/53/91/1136195391.db2.gz IPMXQFSGDBXVQZ-UHFFFAOYSA-N -1 0 340.807 3.554 20 0 EHADRM O=C(COC(c1ccccc1)c1ccccc1)[N-]OC/C=C/Cl ZINC000812397555 1136204030 /nfs/dbraw/zinc/20/40/30/1136204030.db2.gz GPSMYIUYRVDJHZ-KPKJPENVSA-N -1 0 331.799 3.593 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(Cl)c(Cl)n2C)c1 ZINC000812709137 1136236222 /nfs/dbraw/zinc/23/62/22/1136236222.db2.gz SXMVUOOBWFLGFW-UHFFFAOYSA-N -1 0 341.194 3.883 20 0 EHADRM O=C(COc1ccc(-c2ccccc2)cc1Cl)[N-]OC1CCC1 ZINC000812788178 1136247089 /nfs/dbraw/zinc/24/70/89/1136247089.db2.gz QHBRAZPBHKIFPR-UHFFFAOYSA-N -1 0 331.799 3.986 20 0 EHADRM CC1(C(=O)O[C@H]2C[C@H]([N-]C(=O)C(F)(F)F)c3ccccc32)CCC1 ZINC000851176916 1136346845 /nfs/dbraw/zinc/34/68/45/1136346845.db2.gz RQQVLBARNKSPAP-STQMWFEESA-N -1 0 341.329 3.584 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C1(C)CCCCCC1 ZINC000814018548 1136386553 /nfs/dbraw/zinc/38/65/53/1136386553.db2.gz NYTLPBGQXJYTLI-INIZCTEOSA-N -1 0 337.485 3.944 20 0 EHADRM CCc1ccc(C(=O)[N-]S(=O)(=O)[C@H](CC)c2ccccc2)s1 ZINC000814017496 1136386825 /nfs/dbraw/zinc/38/68/25/1136386825.db2.gz YJALIULHLSCGQL-OAHLLOKOSA-N -1 0 337.466 3.521 20 0 EHADRM CCCCS[C@@H](C)C(=O)[N-]S(=O)(=O)[C@H](CC)c1ccccc1 ZINC000814020946 1136387227 /nfs/dbraw/zinc/38/72/27/1136387227.db2.gz GCEPWUHSNBCEGP-DZGCQCFKSA-N -1 0 343.514 3.506 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(/C=C\C(=O)[O-])o2)cc1 ZINC000851593910 1136395179 /nfs/dbraw/zinc/39/51/79/1136395179.db2.gz DOBMFSKDYIHDJE-SLWQEBJJSA-N -1 0 325.364 3.663 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)C3CC4(CC4(F)F)C3)ccc2s1 ZINC000851598500 1136395286 /nfs/dbraw/zinc/39/52/86/1136395286.db2.gz WMLVPDVIZBMITE-UHFFFAOYSA-N -1 0 337.347 3.973 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)NCC2(Cc3ccccc3)CCC2)o1 ZINC000851602714 1136395684 /nfs/dbraw/zinc/39/56/84/1136395684.db2.gz YKHQGIQMRQPRCN-CSKARUKUSA-N -1 0 339.391 3.520 20 0 EHADRM CC(C)c1ccccc1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000851604056 1136395768 /nfs/dbraw/zinc/39/57/68/1136395768.db2.gz KOWQCBRPKOQBDM-RBUKOAKNSA-N -1 0 337.419 3.750 20 0 EHADRM CN(C[C@@H]1CCc2ccccc21)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000851624548 1136396953 /nfs/dbraw/zinc/39/69/53/1136396953.db2.gz JECBUGVIELCZRE-AWEZNQCLSA-N -1 0 343.810 3.840 20 0 EHADRM C[C@@H](C(=O)NC[C@@H](CC(=O)[O-])C1CC1)c1ccc2ccccc2c1 ZINC000851706017 1136400632 /nfs/dbraw/zinc/40/06/32/1136400632.db2.gz WDPJIDXDKRYWFU-FZKQIMNGSA-N -1 0 325.408 3.560 20 0 EHADRM CCOC(=O)c1[n-]c(NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)nc1Cl ZINC001134103141 1136407814 /nfs/dbraw/zinc/40/78/14/1136407814.db2.gz NTSHOKAAJKTTJE-FVMDXXJSSA-N -1 0 341.839 3.641 20 0 EHADRM CC(C)(c1nnc(NC([O-])=NOCCC2CC2)s1)c1ccccc1 ZINC000814635136 1136483175 /nfs/dbraw/zinc/48/31/75/1136483175.db2.gz ZGSCZAYFAWOKMI-UHFFFAOYSA-N -1 0 346.456 3.717 20 0 EHADRM Cc1ccccc1CCC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000776653875 1136523651 /nfs/dbraw/zinc/52/36/51/1136523651.db2.gz IURNAHZEYDWQJM-QGZVFWFLSA-N -1 0 347.361 3.538 20 0 EHADRM C/C(=C\C(=O)N[C@H](CC(=O)[O-])c1ccccc1C)c1cccc(F)c1 ZINC000776673446 1136528829 /nfs/dbraw/zinc/52/88/29/1136528829.db2.gz PYDYGADEPWITHU-PMXLPMHFSA-N -1 0 341.382 3.870 20 0 EHADRM Cc1cccc(CCC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2F)c1 ZINC000776660135 1136528859 /nfs/dbraw/zinc/52/88/59/1136528859.db2.gz KGBVMURPNIWPGW-QGZVFWFLSA-N -1 0 347.361 3.538 20 0 EHADRM CC(C)(C)CCCC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000776662100 1136529827 /nfs/dbraw/zinc/52/98/27/1136529827.db2.gz SWANTWVPPYFRBE-CQSZACIVSA-N -1 0 327.371 3.813 20 0 EHADRM CC(C)(C)/C=C/C(=O)N[C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000776683090 1136545490 /nfs/dbraw/zinc/54/54/90/1136545490.db2.gz JBOIXPHXCJJEGY-MUBLQREKSA-N -1 0 344.238 3.708 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccccc1CC(=O)[N-]Oc1ccccc1 ZINC000854537726 1136625415 /nfs/dbraw/zinc/62/54/15/1136625415.db2.gz ZYBSBZZCDHOYMY-UHFFFAOYSA-N -1 0 342.395 3.686 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C1(F)CCCCC1 ZINC000816112236 1136677973 /nfs/dbraw/zinc/67/79/73/1136677973.db2.gz PILQNKWPDRKANL-HNNXBMFYSA-N -1 0 341.448 3.502 20 0 EHADRM COc1ccc(NC(=O)c2cc(Cl)c3ccccc3c2[O-])cn1 ZINC001135436502 1136684472 /nfs/dbraw/zinc/68/44/72/1136684472.db2.gz MDKWOIPMKHEKHP-UHFFFAOYSA-N -1 0 328.755 3.855 20 0 EHADRM CCOc1ccc(NC(=O)c2c([O-])cnc3c(F)cccc32)cc1 ZINC001135504300 1136697588 /nfs/dbraw/zinc/69/75/88/1136697588.db2.gz JCUVMEYBLPZKKJ-UHFFFAOYSA-N -1 0 326.327 3.731 20 0 EHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCC([C@@H]2CCCCO2)CC1 ZINC000855946409 1136742880 /nfs/dbraw/zinc/74/28/80/1136742880.db2.gz NXOZPPNORHSAGK-HNNXBMFYSA-N -1 0 346.452 3.538 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)NC3CCCCC3)n2)c1 ZINC001135659229 1136746639 /nfs/dbraw/zinc/74/66/39/1136746639.db2.gz GAAFERGIVYONRT-UHFFFAOYSA-N -1 0 327.428 3.764 20 0 EHADRM CCC(CC)(CC(=O)N[C@@H](c1ccc(OC)cc1)C(C)C)C(=O)[O-] ZINC000010821591 1136763407 /nfs/dbraw/zinc/76/34/07/1136763407.db2.gz QXUGDRHPXUABEK-QGZVFWFLSA-N -1 0 335.444 3.790 20 0 EHADRM CCC(=O)c1cccc(NC(=O)c2ccc3oc(=S)[n-]c3c2)c1 ZINC000816951224 1136766581 /nfs/dbraw/zinc/76/65/81/1136766581.db2.gz KQVYJOKVLOMCSR-UHFFFAOYSA-N -1 0 326.377 3.962 20 0 EHADRM CCO[C@@H]1C[C@@H](NC(=O)c2ccc3oc(=S)[n-]c3c2)C12CCCC2 ZINC000816941217 1136767932 /nfs/dbraw/zinc/76/79/32/1136767932.db2.gz ZNWCFEGFQFDJKP-HUUCEWRRSA-N -1 0 346.452 3.584 20 0 EHADRM CC[C@@H](C)CO[N-]C(=O)C1(c2ccc(Br)cc2)CC1 ZINC000816975817 1136768978 /nfs/dbraw/zinc/76/89/78/1136768978.db2.gz PSIFHJRAXZZKFP-LLVKDONJSA-N -1 0 326.234 3.575 20 0 EHADRM CON(C(=O)c1ncccc1[O-])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000856342396 1136778787 /nfs/dbraw/zinc/77/87/87/1136778787.db2.gz UWUUEGKHBGGFGW-SNVBAGLBSA-N -1 0 340.301 3.571 20 0 EHADRM O=C([N-]OCC1CCC1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000856350743 1136779273 /nfs/dbraw/zinc/77/92/73/1136779273.db2.gz PROKZSUMGNIUAV-UHFFFAOYSA-N -1 0 331.309 3.724 20 0 EHADRM O=C(N[C@H](c1ccccc1)C(F)F)c1ccc2[n-]c(=S)oc2c1 ZINC000817224192 1136783979 /nfs/dbraw/zinc/78/39/79/1136783979.db2.gz LHMGGSMXTXKLFU-CYBMUJFWSA-N -1 0 334.347 3.853 20 0 EHADRM COc1ccccc1C(C)(C)NC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000857447975 1136871782 /nfs/dbraw/zinc/87/17/82/1136871782.db2.gz MTMTVBUOQHEJQY-UHFFFAOYSA-N -1 0 337.778 3.858 20 0 EHADRM O=C([N-]Cc1ccncc1C(F)(F)F)C(F)(F)c1ccc(F)cc1 ZINC000857498918 1136877172 /nfs/dbraw/zinc/87/71/72/1136877172.db2.gz UMAPTDSYPSALJF-UHFFFAOYSA-N -1 0 348.246 3.648 20 0 EHADRM Cc1cc(-n2[n-]c(C3CC(F)(F)C3)cc2=O)ncc1Br ZINC001245925286 1136940740 /nfs/dbraw/zinc/94/07/40/1136940740.db2.gz WMIBUACXFXEKKY-UHFFFAOYSA-N -1 0 344.159 3.557 20 0 EHADRM C[C@H]1CCCN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])[C@H]1C ZINC000820242862 1136983606 /nfs/dbraw/zinc/98/36/06/1136983606.db2.gz ZFWTVVHCODOYJT-STQMWFEESA-N -1 0 327.380 3.725 20 0 EHADRM CC(=Cc1ccc(F)cc1)C(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000820465533 1136994176 /nfs/dbraw/zinc/99/41/76/1136994176.db2.gz MXLJPOCTSXXUAU-QXMHVHEDSA-N -1 0 337.354 3.963 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC2CCN(c3ccccn3)CC2)cc1 ZINC000859810189 1137031533 /nfs/dbraw/zinc/03/15/33/1137031533.db2.gz IHBVWQRCDKLWSE-UHFFFAOYSA-N -1 0 339.439 3.525 20 0 EHADRM Cc1c(=O)[n-]n(-c2ccccc2)c1N[C@H]1CCc2cccc(F)c2C1 ZINC001170978689 1137051111 /nfs/dbraw/zinc/05/11/11/1137051111.db2.gz YFCIQAHYXSYQEC-HNNXBMFYSA-N -1 0 337.398 3.995 20 0 EHADRM CC(C)c1ccccc1OCC(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000013402103 1137080849 /nfs/dbraw/zinc/08/08/49/1137080849.db2.gz UXVBYHINFZNXAK-FMIVXFBMSA-N -1 0 339.391 3.925 20 0 EHADRM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000823689021 1137109335 /nfs/dbraw/zinc/10/93/35/1137109335.db2.gz AUEALHLUWKRLLE-FRRDWIJNSA-N -1 0 327.380 3.581 20 0 EHADRM Cc1ccc(C[C@H]2CCCN2C(=O)c2cc(F)cc(F)c2[O-])cc1 ZINC001136764125 1137109507 /nfs/dbraw/zinc/10/95/07/1137109507.db2.gz PMDQMGASOINFBI-OAHLLOKOSA-N -1 0 331.362 3.826 20 0 EHADRM CC(C)OCc1cccc(NC(=O)c2nc[nH]c2C(F)(F)F)c1 ZINC000823722854 1137112116 /nfs/dbraw/zinc/11/21/16/1137112116.db2.gz BAXQUTASHMSOJR-UHFFFAOYSA-N -1 0 327.306 3.606 20 0 EHADRM CC[C@H](C)c1cccc(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c1 ZINC000862487214 1137146839 /nfs/dbraw/zinc/14/68/39/1137146839.db2.gz OMTLFMDEKWVSIH-JTQLQIEISA-N -1 0 330.350 3.596 20 0 EHADRM CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000824717526 1137150107 /nfs/dbraw/zinc/15/01/07/1137150107.db2.gz XWNRLVGKQPLMKQ-LQDVMPOASA-N -1 0 339.391 3.868 20 0 EHADRM C[C@H]1CC(F)(F)CCN1C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000824996658 1137159482 /nfs/dbraw/zinc/15/94/82/1137159482.db2.gz ADVDDLFLANNTOU-NSHDSACASA-N -1 0 349.333 3.725 20 0 EHADRM CCN(Cc1ccoc1)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000794555569 1137202149 /nfs/dbraw/zinc/20/21/49/1137202149.db2.gz XGVQVXOBSGBUPV-UHFFFAOYSA-N -1 0 333.771 3.767 20 0 EHADRM CC[C@@H](CNC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)C(=O)[O-] ZINC000844159414 1137202762 /nfs/dbraw/zinc/20/27/62/1137202762.db2.gz HDDGWVBNYAXSOP-PPLKPFPSSA-N -1 0 349.736 3.513 20 0 EHADRM Cc1ccccc1COc1cccc(NC(=O)CCCC(=O)[O-])c1 ZINC000844247740 1137205002 /nfs/dbraw/zinc/20/50/02/1137205002.db2.gz SUKTZLXBVGREGR-UHFFFAOYSA-N -1 0 327.380 3.767 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)/C=C\C2CCCC2)CC1 ZINC000844240261 1137206597 /nfs/dbraw/zinc/20/65/97/1137206597.db2.gz AHLPMDCPAFPPHX-KTKRTIGZSA-N -1 0 327.424 3.837 20 0 EHADRM O=C(/C=C/c1cc(C(=O)[O-])co1)Nc1ccccc1OC1CCCC1 ZINC000864105209 1137215185 /nfs/dbraw/zinc/21/51/85/1137215185.db2.gz OVENGDVVGLUPHH-MDZDMXLPSA-N -1 0 341.363 3.951 20 0 EHADRM Cc1ccccc1[C@H]1CCCN1C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000864103625 1137215194 /nfs/dbraw/zinc/21/51/94/1137215194.db2.gz OCNDUSGOGHONMH-XZVRFQMRSA-N -1 0 325.364 3.663 20 0 EHADRM O=C(/C=C\c1cc(C(=O)[O-])co1)Nc1ccccc1OC1CCCC1 ZINC000864105208 1137215251 /nfs/dbraw/zinc/21/52/51/1137215251.db2.gz OVENGDVVGLUPHH-KTKRTIGZSA-N -1 0 341.363 3.951 20 0 EHADRM O=C(/C=C/c1cc(C(=O)[O-])co1)Nc1cccc(COCC2CC2)c1 ZINC000864106766 1137215341 /nfs/dbraw/zinc/21/53/41/1137215341.db2.gz RQYDSMFLHQWIEU-VOTSOKGWSA-N -1 0 341.363 3.556 20 0 EHADRM CC[C@@](C)(NC(=O)c1ccc(C)c(C(=O)[O-])c1)c1nc(C)cs1 ZINC000864111766 1137215798 /nfs/dbraw/zinc/21/57/98/1137215798.db2.gz NVRUUYVFVUNBBM-QGZVFWFLSA-N -1 0 332.425 3.513 20 0 EHADRM CSCCCCCCC(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1 ZINC000864120291 1137216100 /nfs/dbraw/zinc/21/61/00/1137216100.db2.gz GVEXCESXPBSDBN-UHFFFAOYSA-N -1 0 348.468 3.978 20 0 EHADRM CSCCCCCCC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000864122612 1137216306 /nfs/dbraw/zinc/21/63/06/1137216306.db2.gz WIOUGKWJHKNSMF-UHFFFAOYSA-N -1 0 327.446 3.558 20 0 EHADRM COc1cc(C)cc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2C)c1C ZINC000864127344 1137216407 /nfs/dbraw/zinc/21/64/07/1137216407.db2.gz TWELBPPOQCUNLD-QGZVFWFLSA-N -1 0 341.407 3.566 20 0 EHADRM CC[C@@H]1c2ccccc2CCN1C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000864128900 1137216544 /nfs/dbraw/zinc/21/65/44/1137216544.db2.gz YZKBLLZJEXZQLJ-SIJIIQCFSA-N -1 0 325.364 3.527 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2cc3c(cccc3C3CC3)[nH]2)C1 ZINC000864131990 1137216803 /nfs/dbraw/zinc/21/68/03/1137216803.db2.gz HGCPIYJJWOMFBU-CYBMUJFWSA-N -1 0 340.423 3.762 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@]23C[C@H]2CCCC3)C[C@H]1c1ccc(Cl)cc1 ZINC000864139761 1137216851 /nfs/dbraw/zinc/21/68/51/1137216851.db2.gz NKORLRQFNLLEDT-PSFFPDNBSA-N -1 0 347.842 3.547 20 0 EHADRM Cc1cc2c(CC(=O)N[C@@](C)(CC(=O)[O-])C(C)C)csc2s1 ZINC000864140307 1137216986 /nfs/dbraw/zinc/21/69/86/1137216986.db2.gz AADIJYDEPJKPGC-INIZCTEOSA-N -1 0 339.482 3.819 20 0 EHADRM COc1cc(NC(=O)CC(C)(C)c2ccc(F)cc2)ccc1C(=O)[O-] ZINC000864144160 1137217083 /nfs/dbraw/zinc/21/70/83/1137217083.db2.gz NRDYDLONUWJZIB-UHFFFAOYSA-N -1 0 345.370 3.839 20 0 EHADRM O=C([O-])CC1(NC(=O)/C=C/c2ccsc2C(F)(F)F)CCCC1 ZINC000864142763 1137217134 /nfs/dbraw/zinc/21/71/34/1137217134.db2.gz PREMIZDNOLNUSV-ONEGZZNKSA-N -1 0 347.358 3.684 20 0 EHADRM CC(C)(C)c1ccc(CCCC(=O)N[C@H]2CC=C(C(=O)[O-])C2)cc1 ZINC000864162743 1137217554 /nfs/dbraw/zinc/21/75/54/1137217554.db2.gz BSCUODFWGYSZNK-KRWDZBQOSA-N -1 0 329.440 3.596 20 0 EHADRM CC[C@@H](CCc1ccccc1)NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000864169524 1137217598 /nfs/dbraw/zinc/21/75/98/1137217598.db2.gz QYEVLVYQMVJVQB-FQNOHDAGSA-N -1 0 327.380 3.519 20 0 EHADRM CN(C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000864177629 1137217965 /nfs/dbraw/zinc/21/79/65/1137217965.db2.gz PUWSZQFVYISCLG-VSZNYVQBSA-N -1 0 329.440 3.672 20 0 EHADRM C[C@H](C1CC1)N(C(=O)c1ccc(/C=C\C(=O)[O-])o1)c1ccccc1 ZINC000864181150 1137218194 /nfs/dbraw/zinc/21/81/94/1137218194.db2.gz KSWWMMMNHXFSDH-KXXVWKPMSA-N -1 0 325.364 3.823 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N[C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000864179613 1137218213 /nfs/dbraw/zinc/21/82/13/1137218213.db2.gz ZNYGJUMBZRWVBO-IJGSQOGDSA-N -1 0 335.831 3.725 20 0 EHADRM O=C([O-])c1coc(CNC(=O)C2(c3cccc(F)c3)CCCCC2)c1 ZINC000864193688 1137218607 /nfs/dbraw/zinc/21/86/07/1137218607.db2.gz UQWQHUOCFCCVDY-UHFFFAOYSA-N -1 0 345.370 3.635 20 0 EHADRM CCCc1occc1C(=O)N[C@@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000864196706 1137218711 /nfs/dbraw/zinc/21/87/11/1137218711.db2.gz SJEYQTLUZLMSAX-SFHVURJKSA-N -1 0 349.814 3.701 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)N[C@](C)(CC(=O)[O-])C2CC2)cc1 ZINC000864204142 1137218796 /nfs/dbraw/zinc/21/87/96/1137218796.db2.gz RJWVNJKOGXYNTO-BBIZLLLXSA-N -1 0 329.440 3.973 20 0 EHADRM Cc1oc(-c2ccccc2)cc1C(=O)N[C@](C)(CC(=O)[O-])C1CC1 ZINC000864201336 1137218811 /nfs/dbraw/zinc/21/88/11/1137218811.db2.gz SINVHTSGHCDCTK-LJQANCHMSA-N -1 0 327.380 3.628 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)N[C@@H]2C[C@H]3C[C@@]3(C(=O)[O-])C2)cc1 ZINC000864208780 1137218962 /nfs/dbraw/zinc/21/89/62/1137218962.db2.gz PCULYABVKYVSLP-IQUTYRLHSA-N -1 0 341.432 3.707 20 0 EHADRM CCC[C@@H](C(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000864212185 1137219136 /nfs/dbraw/zinc/21/91/36/1137219136.db2.gz XJPPYEIDGHBCEL-KDQZPGIASA-N -1 0 335.831 3.593 20 0 EHADRM Cc1cc(C(F)F)oc1C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000864228633 1137219335 /nfs/dbraw/zinc/21/93/35/1137219335.db2.gz QVMOLPQYAIQDBR-SNVBAGLBSA-N -1 0 335.306 3.744 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)[C@H](C)OC2CCCCCC2)c1 ZINC000864229347 1137219344 /nfs/dbraw/zinc/21/93/44/1137219344.db2.gz KGYRYQOADMTNBR-YJBOKZPZSA-N -1 0 347.455 3.755 20 0 EHADRM Cc1sc(C)c2c1[nH]c(-c1ccc(C[C@@H](C)C(=O)[O-])cc1)nc2=O ZINC000864354792 1137223151 /nfs/dbraw/zinc/22/31/51/1137223151.db2.gz IQMFKDBPBJSGHT-SECBINFHSA-N -1 0 342.420 3.532 20 0 EHADRM Cc1c(NCc2ccc(C(=O)N3CCCC3)cc2)cccc1C(=O)[O-] ZINC000864509449 1137230870 /nfs/dbraw/zinc/23/08/70/1137230870.db2.gz MJQRDZYBIRRTJU-UHFFFAOYSA-N -1 0 338.407 3.541 20 0 EHADRM Cc1cc(C)cc(C[C@H](NCc2nc(C(C)(C)C)cs2)C(=O)[O-])c1 ZINC000864508312 1137230885 /nfs/dbraw/zinc/23/08/85/1137230885.db2.gz YHKXTYKWHJLGEH-HNNXBMFYSA-N -1 0 346.496 3.843 20 0 EHADRM CCCN(CCC)c1ccc(NC(=O)NO[C@H]2CCCCO2)cc1 ZINC000844797847 1137252913 /nfs/dbraw/zinc/25/29/13/1137252913.db2.gz XQPRIXCNWHOPFY-KRWDZBQOSA-N -1 0 335.448 3.893 20 0 EHADRM CCc1c(Cl)nc(C)nc1N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000844931770 1137263620 /nfs/dbraw/zinc/26/36/20/1137263620.db2.gz VWMPFPXAKVLBOG-UONOGXRCSA-N -1 0 331.803 3.726 20 0 EHADRM O=C([O-])CC1(Nc2nccc3ccc(Br)cc32)CCC1 ZINC000844931103 1137263766 /nfs/dbraw/zinc/26/37/66/1137263766.db2.gz LRBRSZHTRWEMRJ-UHFFFAOYSA-N -1 0 335.201 3.807 20 0 EHADRM Cc1c(=O)[n-]n(-c2ccccc2)c1NC(=O)N[C@@H](C)c1ccccc1 ZINC001202517747 1137281379 /nfs/dbraw/zinc/28/13/79/1137281379.db2.gz SHLINEZQBMDWKG-AWEZNQCLSA-N -1 0 336.395 3.769 20 0 EHADRM O=C(c1ccccc1F)C1CCN(Cc2c(F)cc(O)cc2F)CC1 ZINC001144567605 1137311325 /nfs/dbraw/zinc/31/13/25/1137311325.db2.gz UHQOYXABEGJNJR-UHFFFAOYSA-N -1 0 349.352 3.904 20 0 EHADRM COc1ccc(CC(=O)Nc2c(Cl)ccc([O-])c2Cl)cc1O ZINC001144789841 1137348714 /nfs/dbraw/zinc/34/87/14/1137348714.db2.gz IZPFXRDCDQEBDB-UHFFFAOYSA-N -1 0 342.178 3.594 20 0 EHADRM C[C@@H](c1ccccc1)[C@](C)(O)C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000121110701 1137360947 /nfs/dbraw/zinc/36/09/47/1137360947.db2.gz JKOBUFLOGJYPBI-VOJFVSQTSA-N -1 0 342.420 3.610 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cc(-c2ccco2)on1 ZINC000121133987 1137368077 /nfs/dbraw/zinc/36/80/77/1137368077.db2.gz SIOHFXAOGNLDLP-UHFFFAOYSA-N -1 0 327.321 3.617 20 0 EHADRM O=C([O-])/C=C/c1cnc(/C=C/c2ccnn2-c2ccc(F)cc2)s1 ZINC000794941225 1137373310 /nfs/dbraw/zinc/37/33/10/1137373310.db2.gz KYIWUJGMAVKUHR-KQQUZDAGSA-N -1 0 341.367 3.736 20 0 EHADRM Cc1ccccc1-n1nccc1/C=C\c1ncc(/C=C/C(=O)[O-])s1 ZINC000794940927 1137373370 /nfs/dbraw/zinc/37/33/70/1137373370.db2.gz FZUNTTXOZLROLZ-MKKAVFGOSA-N -1 0 337.404 3.905 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)NC3CC(C)(C)C3)n2)c1 ZINC001148380328 1137423663 /nfs/dbraw/zinc/42/36/63/1137423663.db2.gz ABYJZNYIDMYKOD-UHFFFAOYSA-N -1 0 327.428 3.620 20 0 EHADRM Nc1cc(Cl)cnc1NC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001148805383 1137435335 /nfs/dbraw/zinc/43/53/35/1137435335.db2.gz JDTJRGUJZXGGFR-UHFFFAOYSA-N -1 0 332.574 3.582 20 0 EHADRM O=C(Nc1ccnn1-c1ccncc1)c1cc(Cl)cc(Cl)c1[O-] ZINC001148805390 1137435372 /nfs/dbraw/zinc/43/53/72/1137435372.db2.gz JRNWWUTXNFYXRV-UHFFFAOYSA-N -1 0 349.177 3.532 20 0 EHADRM Cc1cc(Cl)ncc1NC(=O)c1cnc2c(C)cc(F)cc2c1O ZINC000122847023 1137473113 /nfs/dbraw/zinc/47/31/13/1137473113.db2.gz UFBOBTUXZGQGKU-UHFFFAOYSA-N -1 0 345.761 3.585 20 0 EHADRM O=C(c1cc(Br)cc(F)c1[O-])N1CCC(CCF)CC1 ZINC000870275803 1137485143 /nfs/dbraw/zinc/48/51/43/1137485143.db2.gz RJTFBLYDWGBPBH-UHFFFAOYSA-N -1 0 348.187 3.506 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)C1CCCCCCC1 ZINC000773315677 1137489057 /nfs/dbraw/zinc/48/90/57/1137489057.db2.gz LQGBRHOTMWYPGZ-UHFFFAOYSA-N -1 0 328.416 3.785 20 0 EHADRM CCCOc1c(F)cc(F)c([N-]c2oncc2C(=O)OCC)c1F ZINC001212647387 1137543239 /nfs/dbraw/zinc/54/32/39/1137543239.db2.gz ZHTDIOIGVWZECB-UHFFFAOYSA-N -1 0 344.289 3.801 20 0 EHADRM Cc1cc(N2CCC[C@@H](CCC(=O)[O-])C2)nc(-c2cccs2)n1 ZINC000871867830 1137561533 /nfs/dbraw/zinc/56/15/33/1137561533.db2.gz TURZTJSUWSYTLA-ZDUSSCGKSA-N -1 0 331.441 3.595 20 0 EHADRM CC(C)[C@H]1CCc2[n-]n(-c3nc4cc(F)c(F)cc4[nH]3)c(=O)c2C1 ZINC000871942834 1137563571 /nfs/dbraw/zinc/56/35/71/1137563571.db2.gz OYWMYGYGDCPQGQ-VHSXEESVSA-N -1 0 332.354 3.616 20 0 EHADRM O=c1c(F)c(C(F)(F)F)[n-]n1Cc1ccc(Cl)cc1Cl ZINC000871944297 1137563631 /nfs/dbraw/zinc/56/36/31/1137563631.db2.gz JZTAGVINNODJGL-MRVPVSSYSA-N -1 0 329.080 3.592 20 0 EHADRM CC(C)c1c(Cl)ncnc1-n1[n-]c(CCc2ccccc2)cc1=O ZINC000871956952 1137563701 /nfs/dbraw/zinc/56/37/01/1137563701.db2.gz JCLDBNRBSQIABW-UHFFFAOYSA-N -1 0 342.830 3.979 20 0 EHADRM Cc1ccccc1[C@@H]1CN(Cc2cc(C(=O)[O-])cs2)[C@@H](C)CO1 ZINC000872159003 1137574569 /nfs/dbraw/zinc/57/45/69/1137574569.db2.gz KQOAUUWRYIJXBX-GUYCJALGSA-N -1 0 331.437 3.717 20 0 EHADRM CC1(C)CO[C@@H](c2cccc(F)c2)CN1Cc1cc(C(=O)[O-])cs1 ZINC000872161880 1137574611 /nfs/dbraw/zinc/57/46/11/1137574611.db2.gz GEXGTKHOVZOTGM-MRXNPFEDSA-N -1 0 349.427 3.938 20 0 EHADRM CCC(F)(F)c1ccccc1[N-]S(=O)(=O)c1cnc(C)s1 ZINC000872411305 1137579589 /nfs/dbraw/zinc/57/95/89/1137579589.db2.gz ZKMCLPFEANQMDM-UHFFFAOYSA-N -1 0 332.397 3.754 20 0 EHADRM CCn1ncc([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)c1C ZINC000872421863 1137579974 /nfs/dbraw/zinc/57/99/74/1137579974.db2.gz BNFUBGMYQCMMDP-UHFFFAOYSA-N -1 0 348.255 3.627 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1noc2c1CC(C)(C)CC2 ZINC000872718879 1137583158 /nfs/dbraw/zinc/58/31/58/1137583158.db2.gz LYOGLXWBOSLJSH-UHFFFAOYSA-N -1 0 342.395 3.757 20 0 EHADRM CCCC(=O)Nc1cccc(NC(=O)C2=C(C(=O)[O-])CCCC2)c1C ZINC000872839167 1137585329 /nfs/dbraw/zinc/58/53/29/1137585329.db2.gz ORQIZRZSDRGKCD-UHFFFAOYSA-N -1 0 344.411 3.627 20 0 EHADRM COc1cc(C)c(NC(=O)c2c(C)ccc(C)c2C(=O)[O-])cc1C ZINC000872861734 1137585631 /nfs/dbraw/zinc/58/56/31/1137585631.db2.gz VSLUXGCUFXWKCR-UHFFFAOYSA-N -1 0 327.380 3.879 20 0 EHADRM Cc1ccc(C)c(C(=O)N[C@H]2Cc3ccc(Cl)cc3C2)c1C(=O)[O-] ZINC000872864795 1137585793 /nfs/dbraw/zinc/58/57/93/1137585793.db2.gz SOYXKDRJSUUXQA-HNNXBMFYSA-N -1 0 343.810 3.552 20 0 EHADRM Cc1ccc(C)c(C(=O)NCCC[C@H]2CC2(Cl)Cl)c1C(=O)[O-] ZINC000872875554 1137585878 /nfs/dbraw/zinc/58/58/78/1137585878.db2.gz BSJXXHKZNBJSAI-NSHDSACASA-N -1 0 344.238 3.705 20 0 EHADRM O=C([O-])[C@]1(CC(=O)N2CCC[C@H]2c2ccccc2)CCc2ccccc21 ZINC000872889670 1137586053 /nfs/dbraw/zinc/58/60/53/1137586053.db2.gz BREIWAZMOIQCSK-UGKGYDQZSA-N -1 0 349.430 3.709 20 0 EHADRM O=C([O-])C1=C(C(=O)Nc2cccc(OCC(F)(F)F)c2)CCCC1 ZINC000872915329 1137586475 /nfs/dbraw/zinc/58/64/75/1137586475.db2.gz DFTLOUXZKDIXQX-UHFFFAOYSA-N -1 0 343.301 3.521 20 0 EHADRM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(C)(C)SCC(=O)[O-] ZINC000872918748 1137586631 /nfs/dbraw/zinc/58/66/31/1137586631.db2.gz VMLMCJDODYCOQN-HZPDHXFCSA-N -1 0 349.496 3.768 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)C(C)(C)SCC(=O)[O-])c1C ZINC000872937380 1137586750 /nfs/dbraw/zinc/58/67/50/1137586750.db2.gz LXJDCCXVXAHKFD-HNNXBMFYSA-N -1 0 335.469 3.563 20 0 EHADRM CC[C@H]1CN(C(=O)C(C)(C)SCC(=O)[O-])CC[C@H]1c1ccccc1 ZINC000872954378 1137586901 /nfs/dbraw/zinc/58/69/01/1137586901.db2.gz WKDPJXYKNQYDBP-GOEBONIOSA-N -1 0 349.496 3.625 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)N1CCC[C@@H]1CCCc1ccccc1 ZINC000872972569 1137587316 /nfs/dbraw/zinc/58/73/16/1137587316.db2.gz CEEZQCARRYXKFW-INIZCTEOSA-N -1 0 349.496 3.597 20 0 EHADRM CC[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1F)c1ccccc1 ZINC000873563321 1137602518 /nfs/dbraw/zinc/60/25/18/1137602518.db2.gz FFBJGYBIOREEKZ-ZFWWWQNUSA-N -1 0 349.427 3.527 20 0 EHADRM Cn1nc(C(=O)[O-])cc1CNc1ccc(OC2CCCC2)c(Cl)c1 ZINC000874039602 1137609734 /nfs/dbraw/zinc/60/97/34/1137609734.db2.gz PIQWSHIVZBFNIC-UHFFFAOYSA-N -1 0 349.818 3.705 20 0 EHADRM C[C@]1(C(F)(F)F)CCN(C(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000874479890 1137615161 /nfs/dbraw/zinc/61/51/61/1137615161.db2.gz MEHRVKXWYIGDIJ-ZDUSSCGKSA-N -1 0 330.331 3.531 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(-c3cn[nH]c3)c2)c1 ZINC000125153242 1137622337 /nfs/dbraw/zinc/62/23/37/1137622337.db2.gz QSWRSBUHJFZNDT-UHFFFAOYSA-N -1 0 347.827 3.839 20 0 EHADRM O=Cc1cc(-c2ccccc2[C@H](O)CC(=O)[O-])cc(C(F)(F)F)c1 ZINC000874970093 1137627233 /nfs/dbraw/zinc/62/72/33/1137627233.db2.gz LCQKPGPPULNXLZ-OAHLLOKOSA-N -1 0 338.281 3.693 20 0 EHADRM Cc1nn(-c2ccc(C(=O)[O-])cc2)c(C)c1-c1ccc(C=O)c(F)c1 ZINC000874973314 1137627374 /nfs/dbraw/zinc/62/73/74/1137627374.db2.gz SEAGUWDAWWFVKQ-UHFFFAOYSA-N -1 0 338.338 3.806 20 0 EHADRM Oc1ccccc1-c1nnc(CN2CCC[C@H]2c2cccc(F)c2)o1 ZINC000877985152 1137698397 /nfs/dbraw/zinc/69/83/97/1137698397.db2.gz UITATPSTBIYPFK-INIZCTEOSA-N -1 0 339.370 3.918 20 0 EHADRM O=C(COC(=O)c1cc2ccsc2[nH]1)c1ccc(Cl)s1 ZINC000023345791 1137748774 /nfs/dbraw/zinc/74/87/74/1137748774.db2.gz XHMCTHFPJXDKIX-UHFFFAOYSA-N -1 0 325.798 3.984 20 0 EHADRM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2C(C)=O)c1 ZINC000129286845 1137816776 /nfs/dbraw/zinc/81/67/76/1137816776.db2.gz CRRZVDVVHILHHG-UHFFFAOYSA-N -1 0 345.420 3.591 20 0 EHADRM COc1cccc(O)c1C(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC001137184132 1137844195 /nfs/dbraw/zinc/84/41/95/1137844195.db2.gz UHUBDLNTUZKORZ-CQSZACIVSA-N -1 0 348.402 3.954 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)OCc2nnc(-c3ccccc3O)o2)C[C@H]1C ZINC000884531392 1137962311 /nfs/dbraw/zinc/96/23/11/1137962311.db2.gz KZTTWYBVMRKIPN-UPJWGTAASA-N -1 0 330.384 3.558 20 0 EHADRM CCSCc1cccnc1[N-]S(=O)(=O)c1cc(C)cc(F)c1 ZINC000886444667 1138078779 /nfs/dbraw/zinc/07/87/79/1138078779.db2.gz GFDLYOMTYDEZNI-UHFFFAOYSA-N -1 0 340.445 3.583 20 0 EHADRM CCSc1ccc(CNC(=O)C[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000887310959 1138261029 /nfs/dbraw/zinc/26/10/29/1138261029.db2.gz UVUJWGQWNDXVBL-KRWDZBQOSA-N -1 0 343.448 3.673 20 0 EHADRM CC(C)(CC(=O)N1CCCC[C@@H]1c1n[nH]c(=O)[n-]1)C1CCCCC1 ZINC000333557864 1138303651 /nfs/dbraw/zinc/30/36/51/1138303651.db2.gz QDNKABARPHQVEL-CQSZACIVSA-N -1 0 334.464 3.561 20 0 EHADRM O=C([O-])c1cccc(-c2nc(-c3cn(CCCCF)nn3)cs2)c1 ZINC000887402232 1138307177 /nfs/dbraw/zinc/30/71/77/1138307177.db2.gz WXOOHIJTRMQZTQ-UHFFFAOYSA-N -1 0 346.387 3.517 20 0 EHADRM CC[C@@H](NC(=O)c1ccc2oc(=S)[n-]c2c1)c1nc(C)cs1 ZINC000826571930 1138356418 /nfs/dbraw/zinc/35/64/18/1138356418.db2.gz LYMQIBSRNLZZLV-SNVBAGLBSA-N -1 0 333.438 3.763 20 0 EHADRM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000127785682 1138371418 /nfs/dbraw/zinc/37/14/18/1138371418.db2.gz QXCMNVFKMPTSTJ-KCRUCZTKSA-N -1 0 336.602 3.858 20 0 EHADRM Cc1occc1-c1cc([N-]S(=O)(=O)Cc2cc(C)cc(C)c2)no1 ZINC000337126178 1138472302 /nfs/dbraw/zinc/47/23/02/1138472302.db2.gz FTWUVZDIZODQRH-UHFFFAOYSA-N -1 0 346.408 3.802 20 0 EHADRM Cc1ccccc1S([O-])=CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000133939923 1138664723 /nfs/dbraw/zinc/66/47/23/1138664723.db2.gz MISKPMLLADPDDI-QKFKETGDSA-N -1 0 349.883 3.976 20 0 EHADRM O=S(=O)([N-]c1cccc(C(F)F)c1)c1cnc2ccccc2c1 ZINC000337773534 1138664816 /nfs/dbraw/zinc/66/48/16/1138664816.db2.gz WIVMIFDYILQFSF-UHFFFAOYSA-N -1 0 334.347 3.973 20 0 EHADRM CSc1cccc(S(=O)(=O)[N-]c2cc(C3CCCC3)[nH]n2)c1 ZINC000337777382 1138665712 /nfs/dbraw/zinc/66/57/12/1138665712.db2.gz QVSSQTUNUBALSF-UHFFFAOYSA-N -1 0 337.470 3.590 20 0 EHADRM CO[C@H](C)c1nc(=NC(=O)c2sccc2-c2ccccc2)s[n-]1 ZINC000338018079 1138725120 /nfs/dbraw/zinc/72/51/20/1138725120.db2.gz PMNDKSZGTOMNDF-SNVBAGLBSA-N -1 0 345.449 3.648 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc([O-])c(Cl)c2)C[C@H](c2ccsc2)O1 ZINC000150864169 1138987904 /nfs/dbraw/zinc/98/79/04/1138987904.db2.gz YUJSSTMYSDAEOV-MEBBXXQBSA-N -1 0 337.828 3.709 20 0 EHADRM O=C([O-])c1ccc2c(c1)nc(/C=C/c1cocn1)n2-c1ccccc1 ZINC000358675101 1139214528 /nfs/dbraw/zinc/21/45/28/1139214528.db2.gz BGYICPQJMNUMJL-VQHVLOKHSA-N -1 0 331.331 3.882 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC(OC2CCCC2)CC1 ZINC000174439320 1139420094 /nfs/dbraw/zinc/42/00/94/1139420094.db2.gz BZESAKRKIVNNSE-UHFFFAOYSA-N -1 0 346.452 3.680 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)/C=C\C2CCCCC2)c1Cl ZINC000777352271 1139800073 /nfs/dbraw/zinc/80/00/73/1139800073.db2.gz YRXHBEKQDZIFIX-KHPPLWFESA-N -1 0 341.860 3.590 20 0 EHADRM Cc1ccc([C@H]2CCCCN2C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000180008327 1139801015 /nfs/dbraw/zinc/80/10/15/1139801015.db2.gz ACYBLBQVBFHOBA-FGTMMUONSA-N -1 0 329.440 3.940 20 0 EHADRM CCC[C@H](C(=O)[N-]S(=O)(=O)c1cccc(C)c1Cl)C(C)C ZINC000777356930 1139821213 /nfs/dbraw/zinc/82/12/13/1139821213.db2.gz NJWZFCKQBNVJEW-LBPRGKRZSA-N -1 0 331.865 3.526 20 0 EHADRM Cc1oc(CN(C)C(=O)C2(c3ccccc3)CCCC2)cc1C(=O)[O-] ZINC000181713289 1139926274 /nfs/dbraw/zinc/92/62/74/1139926274.db2.gz FQYAOFGUMGZZDY-UHFFFAOYSA-N -1 0 341.407 3.757 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl ZINC000777376590 1139926833 /nfs/dbraw/zinc/92/68/33/1139926833.db2.gz LYGXPKDLVDPFTL-JVBZPZKUSA-N -1 0 349.736 3.742 20 0 EHADRM Cc1cc(/C=C\C(=O)NC[C@@H](C)CC(=O)[O-])c(C)n1C1CCCCC1 ZINC000777396447 1140039621 /nfs/dbraw/zinc/03/96/21/1140039621.db2.gz GEOIGMPCYVSHJB-CMUBDUJZSA-N -1 0 346.471 3.850 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)C(C)C ZINC000183625649 1140050434 /nfs/dbraw/zinc/05/04/34/1140050434.db2.gz PPHXEIHUQNNSKZ-AWEZNQCLSA-N -1 0 338.329 3.640 20 0 EHADRM CC[C@@H](C)n1ncc(C(=O)Nc2cc(C(=O)[O-])ccc2C)c1C1CC1 ZINC000190871361 1140422481 /nfs/dbraw/zinc/42/24/81/1140422481.db2.gz NYCFKQRJIDNNJV-GFCCVEGCSA-N -1 0 341.411 3.990 20 0 EHADRM CCC(CC)n1ncc(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)c1C ZINC000190885267 1140423806 /nfs/dbraw/zinc/42/38/06/1140423806.db2.gz PMKNHASRPPKUPS-DHZHZOJOSA-N -1 0 341.411 3.903 20 0 EHADRM COCCc1ccccc1[N-]S(=O)(=O)c1cc(C)ccc1Cl ZINC000191891210 1140492371 /nfs/dbraw/zinc/49/23/71/1140492371.db2.gz PIFUEGLITKDCLS-UHFFFAOYSA-N -1 0 339.844 3.638 20 0 EHADRM C[C@@H](CC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccccc1C(F)(F)F ZINC000194447763 1140609922 /nfs/dbraw/zinc/60/99/22/1140609922.db2.gz JEPAIOFVQBCLOX-SDDRHHMPSA-N -1 0 343.345 3.569 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC[C@H]1[C@H]1CCCCC1=O ZINC000194819966 1140623231 /nfs/dbraw/zinc/62/32/31/1140623231.db2.gz MYHZTTJMUIBJEL-RISCZKNCSA-N -1 0 339.794 3.549 20 0 EHADRM CC(C)c1noc(CCC(=O)Nc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000271251277 1141333841 /nfs/dbraw/zinc/33/38/41/1141333841.db2.gz DSOLDVIOSVHLOQ-UHFFFAOYSA-N -1 0 344.198 3.777 20 0 EHADRM Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1s[n-]c(=O)c1Cl ZINC000339239029 1141537055 /nfs/dbraw/zinc/53/70/55/1141537055.db2.gz YMWCSYFFCRUNOU-UHFFFAOYSA-N -1 0 348.815 3.557 20 0 EHADRM C[C@H]1CCN(C(=O)c2s[n-]c(=O)c2Cl)[C@@H]1c1cccc(F)c1 ZINC000283218626 1141575022 /nfs/dbraw/zinc/57/50/22/1141575022.db2.gz APIRCURVVTYFRH-UFBFGSQYSA-N -1 0 340.807 3.865 20 0 EHADRM C[C@@H](Cc1n[n-]c(=NCc2ncc(Cl)s2)o1)CC(C)(C)C ZINC000349081181 1141635172 /nfs/dbraw/zinc/63/51/72/1141635172.db2.gz NCEAMISIJXDNCT-VIFPVBQESA-N -1 0 328.869 3.828 20 0 EHADRM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)cc1 ZINC000071973987 215984755 /nfs/dbraw/zinc/98/47/55/215984755.db2.gz CTNCOUCJJWRIAS-UHFFFAOYSA-N -1 0 333.409 3.617 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)F)cc1F ZINC000071974349 215985070 /nfs/dbraw/zinc/98/50/70/215985070.db2.gz LYDDPYXGEDUVLL-UHFFFAOYSA-N -1 0 331.315 3.536 20 0 EHADRM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000021272142 212218418 /nfs/dbraw/zinc/21/84/18/212218418.db2.gz CLIYJLSFAHHTDU-UHFFFAOYSA-N -1 0 329.343 3.776 20 0 EHADRM O=C(Nc1cccc(Br)c1)c1cc(F)c(F)c([O-])c1F ZINC000019836481 212074445 /nfs/dbraw/zinc/07/44/45/212074445.db2.gz SKLSCWKVBYVBDQ-UHFFFAOYSA-N -1 0 346.102 3.824 20 0 EHADRM O=C([O-])c1ccc(OCc2cc(Br)ccc2F)cc1 ZINC000019803714 212071361 /nfs/dbraw/zinc/07/13/61/212071361.db2.gz VBMNGQIRDNZNPF-UHFFFAOYSA-N -1 0 325.133 3.865 20 0 EHADRM O=C([O-])c1cccnc1SCc1ccc(Br)s1 ZINC000019412892 212025818 /nfs/dbraw/zinc/02/58/18/212025818.db2.gz PBPRLPUSKQXETG-UHFFFAOYSA-N -1 0 330.228 3.896 20 0 EHADRM O=S(=O)(Nc1cc(Cl)ccc1F)c1cccc(Cl)c1[O-] ZINC000550111035 450602155 /nfs/dbraw/zinc/60/21/55/450602155.db2.gz YSUHIADXWPTGIG-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM O=C([O-])[C@@H]1CN(Cc2ccc(Cl)cc2Cl)C[C@H]1C(F)(F)F ZINC000299746567 564150642 /nfs/dbraw/zinc/15/06/42/564150642.db2.gz YEFUZAMEZNKQRX-NXEZZACHSA-N -1 0 342.144 3.688 20 0 EHADRM Cc1cc(CN(C)[C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)on1 ZINC000738379180 599772003 /nfs/dbraw/zinc/77/20/03/599772003.db2.gz PUICGFRRWVNULL-ZDUSSCGKSA-N -1 0 329.183 3.548 20 0 EHADRM CC(C)(NC(=O)Nc1ccccc1CC(=O)[O-])c1ccc(F)c(F)c1 ZINC000817841972 596918200 /nfs/dbraw/zinc/91/82/00/596918200.db2.gz BRAGXKCHKDCATA-UHFFFAOYSA-N -1 0 348.349 3.649 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N(CCC(F)(F)F)CC2CC2)c1 ZINC000819557493 596934168 /nfs/dbraw/zinc/93/41/68/596934168.db2.gz WPVRYZNVJOOVIU-UHFFFAOYSA-N -1 0 344.333 3.510 20 0 EHADRM Cc1c(COc2ccccc2)cccc1NC(=O)N(C)CCC(=O)[O-] ZINC000818772729 596988055 /nfs/dbraw/zinc/98/80/55/596988055.db2.gz NYVXVLTXSUPIBP-UHFFFAOYSA-N -1 0 342.395 3.512 20 0 EHADRM CC(C)C[C@@H](C)N(C(=O)CSCC(=O)[O-])c1ccc2[nH]ccc2c1 ZINC000738804632 597091395 /nfs/dbraw/zinc/09/13/95/597091395.db2.gz KKWOKXRXUQHFDS-CYBMUJFWSA-N -1 0 348.468 3.753 20 0 EHADRM C[C@H](Oc1ccccc1NC(=O)CSCC(=O)[O-])c1ccccc1 ZINC000577248743 597094758 /nfs/dbraw/zinc/09/47/58/597094758.db2.gz LGDTYMQWOJJEJB-ZDUSSCGKSA-N -1 0 345.420 3.583 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)c2ccc(SC(F)(F)F)cc2)C1 ZINC000390475410 597099844 /nfs/dbraw/zinc/09/98/44/597099844.db2.gz IGMBCMXJHDZREH-SNVBAGLBSA-N -1 0 347.358 3.625 20 0 EHADRM Cc1cc(Sc2ccccc2)ccc1NC(=O)N[C@H](C)C(=O)[O-] ZINC000818853080 597174613 /nfs/dbraw/zinc/17/46/13/597174613.db2.gz AMEWPJFHSJHZHS-GFCCVEGCSA-N -1 0 330.409 3.741 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)Nc2cccc(CC(=O)[O-])c2)o1 ZINC000738265835 597190541 /nfs/dbraw/zinc/19/05/41/597190541.db2.gz RFZXLNZMMXDJHZ-OAHLLOKOSA-N -1 0 328.368 3.584 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000738308767 597192509 /nfs/dbraw/zinc/19/25/09/597192509.db2.gz OAQPLWOISGFFBF-GOSISDBHSA-N -1 0 338.407 3.991 20 0 EHADRM CCCN(Cc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263333194 597228771 /nfs/dbraw/zinc/22/87/71/597228771.db2.gz MSQOYMJZDPXIEO-UHFFFAOYSA-N -1 0 326.396 3.507 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000263355215 597231606 /nfs/dbraw/zinc/23/16/06/597231606.db2.gz IVNRNYKMXKSWGT-KRWDZBQOSA-N -1 0 342.370 3.571 20 0 EHADRM O=C([O-])CCCNC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000020200149 597280659 /nfs/dbraw/zinc/28/06/59/597280659.db2.gz QLHDKCGCEFKDDD-KRWDZBQOSA-N -1 0 329.421 3.501 20 0 EHADRM O=C([O-])c1ccc(C[S@@](=O)Cc2csc(-c3ccco3)n2)cc1 ZINC000819691183 597285396 /nfs/dbraw/zinc/28/53/96/597285396.db2.gz FFTJTBMMGOGVPC-HSZRJFAPSA-N -1 0 347.417 3.550 20 0 EHADRM CCc1ccc([C@@H](C)NC(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000818335830 597327972 /nfs/dbraw/zinc/32/79/72/597327972.db2.gz QBGJBSXSAKSDKH-CYBMUJFWSA-N -1 0 326.396 3.759 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)NCc1csc2ccccc12 ZINC000819623543 597329017 /nfs/dbraw/zinc/32/90/17/597329017.db2.gz QQEXZDQLCUAPBS-UHFFFAOYSA-N -1 0 340.404 3.850 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccccc2CC(=O)[O-])[C@H]1c1ccccc1 ZINC000818080645 597336237 /nfs/dbraw/zinc/33/62/37/597336237.db2.gz WHKJTFVYTIEGQZ-SFHVURJKSA-N -1 0 338.407 3.929 20 0 EHADRM CC[C@H](C)n1ncc(C(=O)Nc2ccccc2CC(=O)[O-])c1C1CC1 ZINC000820273152 597455460 /nfs/dbraw/zinc/45/54/60/597455460.db2.gz VBMBPPRBRHKZNB-LBPRGKRZSA-N -1 0 341.411 3.611 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccccc2SCc2cccs2)C1 ZINC000261670654 597497956 /nfs/dbraw/zinc/49/79/56/597497956.db2.gz APBPLFAHQIZGKM-GFCCVEGCSA-N -1 0 347.461 3.587 20 0 EHADRM O=C([O-])CCCCNC(=S)Nc1ccc(SC(F)F)cc1 ZINC000821522317 598164648 /nfs/dbraw/zinc/16/46/48/598164648.db2.gz UWEYPPMKTXXHFM-UHFFFAOYSA-N -1 0 334.413 3.543 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NCCCCC(=O)[O-] ZINC000666557517 598167848 /nfs/dbraw/zinc/16/78/48/598167848.db2.gz MMRPKJBSPIBXBO-JTQLQIEISA-N -1 0 347.242 3.951 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)C1(c2ccc(F)cc2F)CCC1 ZINC000821539751 598196220 /nfs/dbraw/zinc/19/62/20/598196220.db2.gz PAYDRKSFUAWXJU-UHFFFAOYSA-N -1 0 345.345 3.652 20 0 EHADRM Cc1cccc(Oc2ccc(NC(=O)CCCNC(=O)[O-])cc2)c1 ZINC000738738126 599708724 /nfs/dbraw/zinc/70/87/24/599708724.db2.gz RZYAFMHDMSPNRQ-UHFFFAOYSA-N -1 0 328.368 3.774 20 0 EHADRM COc1ccc([C@H](C)C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)cc1 ZINC000737947172 599708849 /nfs/dbraw/zinc/70/88/49/599708849.db2.gz HBSWYZWTADGCJV-JTQLQIEISA-N -1 0 345.420 3.686 20 0 EHADRM CCOc1cccc([C@@H](C)NC(=O)c2ccccc2NC(=O)[O-])c1 ZINC000737211952 599709923 /nfs/dbraw/zinc/70/99/23/599709923.db2.gz YSVRCRCRNURVNA-GFCCVEGCSA-N -1 0 328.368 3.666 20 0 EHADRM C[C@H](COc1ccccc1)NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736616546 599712841 /nfs/dbraw/zinc/71/28/41/599712841.db2.gz RYLOZOZLUYJIOD-LLVKDONJSA-N -1 0 347.346 3.505 20 0 EHADRM O=C([O-])c1cnc(NC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)s1 ZINC000740258567 599714648 /nfs/dbraw/zinc/71/46/48/599714648.db2.gz FHGKJQXSBCLMLF-UONOGXRCSA-N -1 0 338.388 3.737 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N[C@@H]2C[C@H]2c2ccccc2)ccc1F ZINC000740004763 599718525 /nfs/dbraw/zinc/71/85/25/599718525.db2.gz FKLDXXWPSJMULQ-GXTWGEPZSA-N -1 0 329.331 3.593 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)o1 ZINC000740134333 599720822 /nfs/dbraw/zinc/72/08/22/599720822.db2.gz TZAXFQBQGRTQLW-IAGOWNOFSA-N -1 0 336.343 3.978 20 0 EHADRM O=C([O-])NCCCC(=O)N1CCC(c2cccc3ccccc32)CC1 ZINC000739953219 599728668 /nfs/dbraw/zinc/72/86/68/599728668.db2.gz IMZZBFUVPCZFIH-UHFFFAOYSA-N -1 0 340.423 3.594 20 0 EHADRM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)CCCN(C)C(=O)[O-] ZINC000736718789 599731104 /nfs/dbraw/zinc/73/11/04/599731104.db2.gz UFPUSOXERPLYFH-JTQLQIEISA-N -1 0 347.242 3.903 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N[C@H]2CCCCc3ccccc32)cc1 ZINC000738499473 599735334 /nfs/dbraw/zinc/73/53/34/599735334.db2.gz PCVICJAERKCEFC-SFHVURJKSA-N -1 0 338.407 3.652 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C(=O)CCCN(C)C(=O)[O-])C1CC1 ZINC000736725579 599737775 /nfs/dbraw/zinc/73/77/75/599737775.db2.gz VHXMKDDXCMTJQE-GFCCVEGCSA-N -1 0 338.835 3.782 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CSc1nnc(Cc2ccccc2F)o1 ZINC000738965728 599744218 /nfs/dbraw/zinc/74/42/18/599744218.db2.gz KBWANACQKDCRPS-UHFFFAOYSA-N -1 0 348.355 3.691 20 0 EHADRM O=C([O-])CSCCC(=O)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000739842188 599750583 /nfs/dbraw/zinc/75/05/83/599750583.db2.gz BMMPYYOYOQGMFF-UHFFFAOYSA-N -1 0 343.448 3.539 20 0 EHADRM Cc1nc(-c2ccco2)ccc1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000191058267 599763610 /nfs/dbraw/zinc/76/36/10/599763610.db2.gz DKDQMAKPQMMLQY-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM O=C([O-])C1(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CCCC1 ZINC000237940948 599763650 /nfs/dbraw/zinc/76/36/50/599763650.db2.gz IFVKRQLSIPVJMC-GHMZBOCLSA-N -1 0 342.222 3.611 20 0 EHADRM Cc1nc(-c2ccsc2)ccc1C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000237730814 599763712 /nfs/dbraw/zinc/76/37/12/599763712.db2.gz FMKDLRDYSOOVKZ-UHFFFAOYSA-N -1 0 344.436 3.636 20 0 EHADRM CCSc1ccc(C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)cn1 ZINC000737228706 599764662 /nfs/dbraw/zinc/76/46/62/599764662.db2.gz FEIBOCHYXSQGMK-UHFFFAOYSA-N -1 0 331.397 3.560 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000127082455 599766162 /nfs/dbraw/zinc/76/61/62/599766162.db2.gz DCCLCZAYNHZREJ-UHFFFAOYSA-N -1 0 348.196 3.719 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2cccc(-n3cccc3)c2)cc1 ZINC000238056913 599766915 /nfs/dbraw/zinc/76/69/15/599766915.db2.gz MFVJCOLEEBTBTP-UHFFFAOYSA-N -1 0 334.375 3.747 20 0 EHADRM Cc1cccc(CSCC(=O)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC000237644478 599767100 /nfs/dbraw/zinc/76/71/00/599767100.db2.gz HPIIWHRBVBIVFB-UHFFFAOYSA-N -1 0 343.448 3.884 20 0 EHADRM CCOc1ccccc1CCNc1nc(Cl)c(C(=O)[O-])s1 ZINC000737210672 599767773 /nfs/dbraw/zinc/76/77/73/599767773.db2.gz IIQSLFVHDMNBPY-UHFFFAOYSA-N -1 0 326.805 3.548 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2Cc3ccccc3-c3ccccc3C2)nc1 ZINC000190632236 599771006 /nfs/dbraw/zinc/77/10/06/599771006.db2.gz ONTXJKKSTZFHOK-UHFFFAOYSA-N -1 0 344.370 3.603 20 0 EHADRM CC(C)(C)c1ncc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)s1 ZINC000236644392 599771317 /nfs/dbraw/zinc/77/13/17/599771317.db2.gz DJOBNYOXHHHKFI-UHFFFAOYSA-N -1 0 332.425 3.710 20 0 EHADRM Cc1ccc(C(C)(C)C(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000237634048 599772433 /nfs/dbraw/zinc/77/24/33/599772433.db2.gz SBBLHPGYFAMETK-UHFFFAOYSA-N -1 0 325.408 3.929 20 0 EHADRM O=C([O-])c1sc(N2CC[C@@H](c3cccc(F)c3)C2)nc1Cl ZINC000740278560 599780200 /nfs/dbraw/zinc/78/02/00/599780200.db2.gz HWNPLDAGXWRMOU-SECBINFHSA-N -1 0 326.780 3.628 20 0 EHADRM O=C([O-])[C@H](OC(=O)Cc1c[nH]c2cc(Cl)ccc12)c1ccccc1 ZINC000739339526 599786616 /nfs/dbraw/zinc/78/66/16/599786616.db2.gz YCXHHJLJNCBPBD-QGZVFWFLSA-N -1 0 343.766 3.733 20 0 EHADRM O=C([O-])c1cccc(COC(=O)Cc2c[nH]c3cc(Cl)ccc23)c1 ZINC000739337680 599786650 /nfs/dbraw/zinc/78/66/50/599786650.db2.gz CMVHHRSHTIQOQO-UHFFFAOYSA-N -1 0 343.766 3.805 20 0 EHADRM O=C([O-])c1ccccc1C(=O)OCCCOc1cccc(Cl)c1 ZINC000740242240 599787468 /nfs/dbraw/zinc/78/74/68/599787468.db2.gz PMBXCVWUUCJQKC-UHFFFAOYSA-N -1 0 334.755 3.664 20 0 EHADRM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000736427078 599788573 /nfs/dbraw/zinc/78/85/73/599788573.db2.gz RNXDCUQVMRAYGN-WMLDXEAASA-N -1 0 348.443 3.876 20 0 EHADRM CCSc1ccc(C(=O)Oc2cc(Cl)ccc2C(=O)[O-])cn1 ZINC000737229347 599793151 /nfs/dbraw/zinc/79/31/51/599793151.db2.gz KEEBNZLWVIOGSO-UHFFFAOYSA-N -1 0 337.784 3.764 20 0 EHADRM Cc1ccc(CN(C)C(=O)c2ccccc2S[C@H](C)C(=O)[O-])s1 ZINC000237366462 599798525 /nfs/dbraw/zinc/79/85/25/599798525.db2.gz OQIWVRMTQIOOND-GFCCVEGCSA-N -1 0 349.477 3.894 20 0 EHADRM CCn1c(SCc2cc(C(=O)[O-])co2)nnc1-c1cccc(C)c1 ZINC000737299620 599802795 /nfs/dbraw/zinc/80/27/95/599802795.db2.gz PMZYXFLWEYTJTB-UHFFFAOYSA-N -1 0 343.408 3.857 20 0 EHADRM CCOc1ccc(SCC(=O)Nc2ccsc2C(=O)[O-])cc1 ZINC000314216070 599803202 /nfs/dbraw/zinc/80/32/02/599803202.db2.gz LMDSLCBQUKNDOB-UHFFFAOYSA-N -1 0 337.422 3.576 20 0 EHADRM COc1ccc(COCCSCc2cccc(C(=O)[O-])c2)cc1 ZINC000738010315 599805086 /nfs/dbraw/zinc/80/50/86/599805086.db2.gz GGCNAQKHVUSOBZ-UHFFFAOYSA-N -1 0 332.421 3.843 20 0 EHADRM C[C@@H](NC(=S)Nc1ccc(N(C)C(=O)[O-])cc1)c1cccs1 ZINC000736661654 599806226 /nfs/dbraw/zinc/80/62/26/599806226.db2.gz XXZYJTLRJKJONR-SNVBAGLBSA-N -1 0 335.454 3.910 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2ccc3ccccc3c2O)cc1 ZINC000327516290 599811034 /nfs/dbraw/zinc/81/10/34/599811034.db2.gz QCNGGQMYSFPWDK-UHFFFAOYSA-N -1 0 335.359 3.815 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N(C)c1ccccc1F)C(=O)[O-] ZINC000736712882 599811920 /nfs/dbraw/zinc/81/19/20/599811920.db2.gz QNCQISBSUMYIDW-NSHDSACASA-N -1 0 333.384 3.668 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)C[C@H]1CCCc2ccccc21 ZINC000739220674 599817799 /nfs/dbraw/zinc/81/77/99/599817799.db2.gz BFHQCQUMUWXKCI-CYBMUJFWSA-N -1 0 327.355 3.973 20 0 EHADRM Cc1cc(NC(=O)N2CC[C@H](c3cccc(F)c3)C2)ccc1C(=O)[O-] ZINC000738437228 599821143 /nfs/dbraw/zinc/82/11/43/599821143.db2.gz KWSZUFZEYWAYJE-AWEZNQCLSA-N -1 0 342.370 3.854 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)C[C@@H]1CCCc3ccccc31)C2 ZINC000621556373 599829245 /nfs/dbraw/zinc/82/92/45/599829245.db2.gz JAQAVVVCRXGJCG-HNNXBMFYSA-N -1 0 335.403 3.737 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)NC2(c3ccccc3)CCC2)cc1 ZINC000739759289 599829907 /nfs/dbraw/zinc/82/99/07/599829907.db2.gz LJDAQJUQSJBPNQ-UHFFFAOYSA-N -1 0 338.407 3.905 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CC(=O)N(CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000736779701 599832792 /nfs/dbraw/zinc/83/27/92/599832792.db2.gz JUOQRDBSUMBHCY-TZMCWYRMSA-N -1 0 339.382 3.594 20 0 EHADRM CCOc1cccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)c1 ZINC000737209675 599834276 /nfs/dbraw/zinc/83/42/76/599834276.db2.gz CCOMTERZOCWBFF-UHFFFAOYSA-N -1 0 331.393 3.586 20 0 EHADRM Cc1ccc(-c2nc(C(=O)Nc3cccc(F)c3C(=O)[O-])cs2)o1 ZINC000738493621 599844100 /nfs/dbraw/zinc/84/41/00/599844100.db2.gz UULRVPUBWDDHDD-UHFFFAOYSA-N -1 0 346.339 3.801 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)/C=C\c2cccs2)cc1 ZINC000588388160 599849051 /nfs/dbraw/zinc/84/90/51/599849051.db2.gz BXVAVNZCQLAWSV-WHLNPGIBSA-N -1 0 347.461 3.815 20 0 EHADRM CC(C)c1ccc(NC(=O)CNc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000736514827 599857316 /nfs/dbraw/zinc/85/73/16/599857316.db2.gz CLXOWRFZNADRGV-UHFFFAOYSA-N -1 0 340.423 3.878 20 0 EHADRM COc1ccc(-c2nc(-c3cc(C(=O)[O-])co3)cs2)cc1OC ZINC000320572018 599858229 /nfs/dbraw/zinc/85/82/29/599858229.db2.gz NKCOZGOSEJXQIF-UHFFFAOYSA-N -1 0 331.349 3.786 20 0 EHADRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)CCc1ccc2ccccc2c1 ZINC000237988182 599858988 /nfs/dbraw/zinc/85/89/88/599858988.db2.gz ZHJKHCDONZXFPJ-FQEVSTJZSA-N -1 0 347.414 3.585 20 0 EHADRM Cc1ccc(C)c(OCCOC(=O)c2ccccc2NC(=O)[O-])c1 ZINC000738576894 599868457 /nfs/dbraw/zinc/86/84/57/599868457.db2.gz IUXYPHDDMSCQJR-UHFFFAOYSA-N -1 0 329.352 3.629 20 0 EHADRM Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccccc2NC(=O)[O-])cc1C ZINC000738502756 599870361 /nfs/dbraw/zinc/87/03/61/599870361.db2.gz KYUINRLIBGVVGL-CYBMUJFWSA-N -1 0 341.363 3.822 20 0 EHADRM Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccccc2NC(=O)[O-])cc1C ZINC000738502758 599870546 /nfs/dbraw/zinc/87/05/46/599870546.db2.gz KYUINRLIBGVVGL-ZDUSSCGKSA-N -1 0 341.363 3.822 20 0 EHADRM O=C([O-])c1cccc(COC(=O)Cc2ccccc2C(F)(F)F)c1 ZINC000739344644 599871391 /nfs/dbraw/zinc/87/13/91/599871391.db2.gz GLTVPBASMLIUMB-UHFFFAOYSA-N -1 0 338.281 3.690 20 0 EHADRM C[C@H](OC(=O)c1sccc1OC(F)F)c1ccc(C(=O)[O-])o1 ZINC000736697133 599871680 /nfs/dbraw/zinc/87/16/80/599871680.db2.gz PSEPKUMMFJKRHB-LURJTMIESA-N -1 0 332.280 3.559 20 0 EHADRM C[C@@H](OC(=O)c1sccc1OC(F)F)c1ccc(C(=O)[O-])o1 ZINC000736697134 599871818 /nfs/dbraw/zinc/87/18/18/599871818.db2.gz PSEPKUMMFJKRHB-ZCFIWIBFSA-N -1 0 332.280 3.559 20 0 EHADRM Cc1ccc2c(CC(=O)OCc3cc(C(=O)[O-])co3)coc2c1C ZINC000738664646 599877874 /nfs/dbraw/zinc/87/78/74/599877874.db2.gz HWCPXYRZZCXOHQ-UHFFFAOYSA-N -1 0 328.320 3.627 20 0 EHADRM CCCO[C@H]1CCCN(C(=O)Nc2cccc(C(=O)[O-])c2C)CC1 ZINC000737027681 599879884 /nfs/dbraw/zinc/87/98/84/599879884.db2.gz HGXLHVZEFZXZLS-AWEZNQCLSA-N -1 0 334.416 3.506 20 0 EHADRM O=C([O-])c1coc(COC(=O)CCc2ccc(Cl)cc2Cl)c1 ZINC000739260042 599881144 /nfs/dbraw/zinc/88/11/44/599881144.db2.gz AAPNTKAIRVWPEL-UHFFFAOYSA-N -1 0 343.162 3.961 20 0 EHADRM Cc1cccc(COc2ccc(NC(=O)[C@H]3C[C@H]3C(=O)[O-])c(C)c2)c1 ZINC000262568860 599885660 /nfs/dbraw/zinc/88/56/60/599885660.db2.gz BZQPYWRVNHZFRP-DLBZAZTESA-N -1 0 339.391 3.542 20 0 EHADRM C[C@H](OC(=O)[C@@H]1CCOc2ccccc21)c1ccc(C(=O)[O-])cc1 ZINC000738228351 599890680 /nfs/dbraw/zinc/89/06/80/599890680.db2.gz SFZLMKZZZLXWER-BLLLJJGKSA-N -1 0 326.348 3.555 20 0 EHADRM COc1cccc(C2(C(=O)Nc3ccc(C(=O)[O-])s3)CCCC2)c1 ZINC000738095140 599891072 /nfs/dbraw/zinc/89/10/72/599891072.db2.gz DXFXDGGWGVWNKF-UHFFFAOYSA-N -1 0 345.420 3.905 20 0 EHADRM CCC[C@](C)(NC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000236827166 599892444 /nfs/dbraw/zinc/89/24/44/599892444.db2.gz YHQAQELHJWAYGW-UWVAXJGDSA-N -1 0 325.408 3.703 20 0 EHADRM CC(C)c1ccc(NCc2nc(-c3ccoc3)no2)c(C(=O)[O-])c1 ZINC000736515556 599893824 /nfs/dbraw/zinc/89/38/24/599893824.db2.gz QNTLDRYWTOUFAN-UHFFFAOYSA-N -1 0 327.340 3.763 20 0 EHADRM CC(C)C(=O)Nc1ccc(NC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000736347764 599895975 /nfs/dbraw/zinc/89/59/75/599895975.db2.gz LOVFEBBADFMUFC-UHFFFAOYSA-N -1 0 341.367 3.623 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000738120166 599901601 /nfs/dbraw/zinc/90/16/01/599901601.db2.gz JLOZLUCCDLHTRH-JTQLQIEISA-N -1 0 349.333 3.804 20 0 EHADRM CN(C(=O)c1cccc(NC(=O)[O-])c1)C1C2CC3CC(C2)CC1C3 ZINC000737341765 599903249 /nfs/dbraw/zinc/90/32/49/599903249.db2.gz WWSRRYRCDMMLCT-UHFFFAOYSA-N -1 0 328.412 3.673 20 0 EHADRM CCCc1cc(C(=O)NCCOc2ccc(C(=O)[O-])cc2)sc1C ZINC000737044420 599904072 /nfs/dbraw/zinc/90/40/72/599904072.db2.gz GHQQFUHNWIOADS-UHFFFAOYSA-N -1 0 347.436 3.516 20 0 EHADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccc2ccccc2c1 ZINC000325052527 599904582 /nfs/dbraw/zinc/90/45/82/599904582.db2.gz PXKQGQDKWZRMTC-UHFFFAOYSA-N -1 0 341.388 3.647 20 0 EHADRM CCOC(=O)Nc1ccc(NC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000737145829 599906070 /nfs/dbraw/zinc/90/60/70/599906070.db2.gz FZFHNCLKHHBZOH-UHFFFAOYSA-N -1 0 343.339 3.597 20 0 EHADRM CC(C)[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC000236671673 599912837 /nfs/dbraw/zinc/91/28/37/599912837.db2.gz PFKCGSJKZVDNRC-MOPGFXCFSA-N -1 0 339.435 3.628 20 0 EHADRM CCC[C@@H](Cc1ccccc1)NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000736970747 599913233 /nfs/dbraw/zinc/91/32/33/599913233.db2.gz OUKSHPPHYXPHJY-INIZCTEOSA-N -1 0 326.396 3.918 20 0 EHADRM CCC[C@H](Cc1ccccc1)NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000736970750 599913314 /nfs/dbraw/zinc/91/33/14/599913314.db2.gz OUKSHPPHYXPHJY-MRXNPFEDSA-N -1 0 326.396 3.918 20 0 EHADRM Cc1cccc(OCCC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1C ZINC000237703932 599916308 /nfs/dbraw/zinc/91/63/08/599916308.db2.gz HWCQXVZYMJKSEV-UHFFFAOYSA-N -1 0 327.380 3.718 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)c1 ZINC000236737158 599916479 /nfs/dbraw/zinc/91/64/79/599916479.db2.gz RSFHRWYMEQHWPP-HUUCEWRRSA-N -1 0 347.455 3.597 20 0 EHADRM CCOC(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000494073423 599916995 /nfs/dbraw/zinc/91/69/95/599916995.db2.gz YHIQDPWTRHVVQE-UHFFFAOYSA-N -1 0 342.351 3.514 20 0 EHADRM Cc1cccc(CCC(=O)Nc2cccc(CSCC(=O)[O-])c2)c1 ZINC000237627240 599920813 /nfs/dbraw/zinc/92/08/13/599920813.db2.gz PJHKCESMBYCQKF-UHFFFAOYSA-N -1 0 343.448 3.884 20 0 EHADRM C[C@H](CN(C(=O)c1sc2ccccc2c1Cl)C1CC1)C(=O)[O-] ZINC000237390895 599923045 /nfs/dbraw/zinc/92/30/45/599923045.db2.gz CBJBBIIKAZDOMT-SECBINFHSA-N -1 0 337.828 3.880 20 0 EHADRM C[C@@H](CN(C(=O)c1sc2ccccc2c1Cl)C1CC1)C(=O)[O-] ZINC000237478579 599923417 /nfs/dbraw/zinc/92/34/17/599923417.db2.gz CBJBBIIKAZDOMT-VIFPVBQESA-N -1 0 337.828 3.880 20 0 EHADRM COc1cc2nc(C)sc2cc1NC(=O)c1cccc(C(=O)[O-])c1 ZINC000432116550 599926153 /nfs/dbraw/zinc/92/61/53/599926153.db2.gz PGALKMLHKAOVJS-UHFFFAOYSA-N -1 0 342.376 3.564 20 0 EHADRM CCOC(=O)Nc1cccc(OC(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000737145922 599928501 /nfs/dbraw/zinc/92/85/01/599928501.db2.gz HXXNBJOODYJERJ-UHFFFAOYSA-N -1 0 344.323 3.564 20 0 EHADRM CC(C)Oc1ccccc1C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736494570 599928808 /nfs/dbraw/zinc/92/88/08/599928808.db2.gz NRPRMSXDLGDUOK-UHFFFAOYSA-N -1 0 332.331 3.955 20 0 EHADRM Cc1ccc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)cc1Cl ZINC000320806913 599930715 /nfs/dbraw/zinc/93/07/15/599930715.db2.gz ZFRZYVZQYKJXTL-MRXNPFEDSA-N -1 0 331.799 3.984 20 0 EHADRM C[C@@H](CN(C(=O)CCSc1ccccc1Cl)C1CC1)C(=O)[O-] ZINC000237433070 599931015 /nfs/dbraw/zinc/93/10/15/599931015.db2.gz XFIXSVLDONPVJY-NSHDSACASA-N -1 0 341.860 3.534 20 0 EHADRM Cc1nc([C@@H]2CCCN2Cc2c3ccccc3sc2C(=O)[O-])no1 ZINC000738850092 599938181 /nfs/dbraw/zinc/93/81/81/599938181.db2.gz LDIIUZDAZCKTHR-ZDUSSCGKSA-N -1 0 343.408 3.628 20 0 EHADRM Cc1cccc(C(=O)OCc2c3ccccc3sc2C(=O)[O-])n1 ZINC000738693771 599944515 /nfs/dbraw/zinc/94/45/15/599944515.db2.gz YUYOVHAFLCMLLY-UHFFFAOYSA-N -1 0 327.361 3.660 20 0 EHADRM Cc1c(Cl)cccc1NC(=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC000738291540 599954162 /nfs/dbraw/zinc/95/41/62/599954162.db2.gz VAPBHUIGPGHEOF-UHFFFAOYSA-N -1 0 348.786 3.547 20 0 EHADRM Cc1ccc(NC(=O)NCCOc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000738625898 599954217 /nfs/dbraw/zinc/95/42/17/599954217.db2.gz ZCESOPQPOYATOJ-UHFFFAOYSA-N -1 0 348.786 3.547 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1Cn1nc(-c2ccccc2)sc1=S ZINC000739638893 599955062 /nfs/dbraw/zinc/95/50/62/599955062.db2.gz DLJDICRHQLHACW-ZDUSSCGKSA-N -1 0 349.481 3.628 20 0 EHADRM Cc1nn(C)c2nc(Cl)c(CNc3ccc(C(=O)[O-])c(C)c3)cc12 ZINC000738462715 599961324 /nfs/dbraw/zinc/96/13/24/599961324.db2.gz UEBTXIJKUQVHNJ-UHFFFAOYSA-N -1 0 344.802 3.549 20 0 EHADRM Cc1cc(NCC(=O)Nc2cccc3ccccc32)ccc1C(=O)[O-] ZINC000738459028 599962577 /nfs/dbraw/zinc/96/25/77/599962577.db2.gz ILNRLRWDDQEEGE-UHFFFAOYSA-N -1 0 334.375 3.897 20 0 EHADRM C[C@@H](CC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F)C1CCCCC1 ZINC000736542072 599970839 /nfs/dbraw/zinc/97/08/39/599970839.db2.gz VGTKGDORKQRVJT-GTNSWQLSSA-N -1 0 339.382 3.813 20 0 EHADRM O=C([O-])[C@H](NC(=O)/C=C/Sc1ccccc1)c1cc(F)ccc1F ZINC000739214428 599976499 /nfs/dbraw/zinc/97/64/99/599976499.db2.gz DVGXAJZHAAVFAF-ROJDOSBLSA-N -1 0 349.358 3.513 20 0 EHADRM CSC[C@@H](C)C(=O)OCc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000738140154 599979630 /nfs/dbraw/zinc/97/96/30/599979630.db2.gz SPWUVWPPYBKBIT-MRVPVSSYSA-N -1 0 342.413 3.781 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000740239729 599983313 /nfs/dbraw/zinc/98/33/13/599983313.db2.gz KVARERLZPOTEKC-INIZCTEOSA-N -1 0 338.407 3.871 20 0 EHADRM Cc1ccc(NC(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])cc1C ZINC000738624411 599993793 /nfs/dbraw/zinc/99/37/93/599993793.db2.gz IBCPBUYCZMJBPJ-HNNXBMFYSA-N -1 0 344.386 3.508 20 0 EHADRM O=C([O-])c1ccoc1COC(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000739216467 599995975 /nfs/dbraw/zinc/99/59/75/599995975.db2.gz NUTBNMLMAJPPMV-LBPRGKRZSA-N -1 0 342.269 3.757 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000325297371 600002122 /nfs/dbraw/zinc/00/21/22/600002122.db2.gz YWKCEGUBRUYLJR-NXEZZACHSA-N -1 0 345.317 3.701 20 0 EHADRM C[C@H](NC(=O)CNc1ccc(C(=O)[O-])cc1)c1cccc2ccccc21 ZINC000736639747 600003578 /nfs/dbraw/zinc/00/35/78/600003578.db2.gz VQIDRSAERGKUOJ-AWEZNQCLSA-N -1 0 348.402 3.827 20 0 EHADRM C[C@@H]1CCc2c(sc3ncnc(NC4CCC(C(=O)[O-])CC4)c32)C1 ZINC000736800489 600006472 /nfs/dbraw/zinc/00/64/72/600006472.db2.gz DDUOFPGRPJECGU-VOMCLLRMSA-N -1 0 345.468 3.871 20 0 EHADRM Cc1cccc(OC[C@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000738733744 600013197 /nfs/dbraw/zinc/01/31/97/600013197.db2.gz FCUYQIIAOUZNDB-AWEZNQCLSA-N -1 0 342.395 3.591 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)Oc2cccc(CC(=O)[O-])c2)cc1 ZINC000736891350 600015228 /nfs/dbraw/zinc/01/52/28/600015228.db2.gz NNQTUNPQCJRWRL-ZDUSSCGKSA-N -1 0 348.420 3.595 20 0 EHADRM Cc1occc1CN(C)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000738985160 600019058 /nfs/dbraw/zinc/01/90/58/600019058.db2.gz NPQBRECXSBKUEK-UHFFFAOYSA-N -1 0 348.424 3.570 20 0 EHADRM CC[C@H]1CCCCN1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000736941406 600020862 /nfs/dbraw/zinc/02/08/62/600020862.db2.gz MCGSOPVYKGGTQA-HNNXBMFYSA-N -1 0 336.457 3.801 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000237675117 600020881 /nfs/dbraw/zinc/02/08/81/600020881.db2.gz HXLXLTOLHCLGQW-AWEZNQCLSA-N -1 0 329.421 3.660 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2cccc(CSCC(=O)[O-])c2)o1 ZINC000738552040 600022276 /nfs/dbraw/zinc/02/22/76/600022276.db2.gz LMUMWMNWTVRSPI-LBPRGKRZSA-N -1 0 348.424 3.789 20 0 EHADRM CC(C)CC(CC(C)C)NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736403756 600023514 /nfs/dbraw/zinc/02/35/14/600023514.db2.gz JUJCWEYOUFRMDZ-UHFFFAOYSA-N -1 0 332.444 3.871 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000736707941 600023660 /nfs/dbraw/zinc/02/36/60/600023660.db2.gz GUSVWNBVNXVAGZ-CYBMUJFWSA-N -1 0 330.405 3.541 20 0 EHADRM CCCN(C(=O)NC1CCC(C(=O)[O-])CC1)[C@H]1CCc2ccccc21 ZINC000263509184 600027536 /nfs/dbraw/zinc/02/75/36/600027536.db2.gz YEWTUJRXJCHYFQ-HTWSVDAQSA-N -1 0 344.455 3.739 20 0 EHADRM CCN(Cc1ccc(Cl)cc1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263443075 600027945 /nfs/dbraw/zinc/02/79/45/600027945.db2.gz FCHWYNLLESPSCH-UHFFFAOYSA-N -1 0 338.835 3.515 20 0 EHADRM Cc1[nH]c(C(=O)CSc2ccnc3ccccc32)c(C)c1C(=O)[O-] ZINC000738153805 600029546 /nfs/dbraw/zinc/02/95/46/600029546.db2.gz BTOLXQRKGPVIOM-UHFFFAOYSA-N -1 0 340.404 3.853 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@@H](c2ccccc2)c2cccnc2)cc1 ZINC000738512428 600031196 /nfs/dbraw/zinc/03/11/96/600031196.db2.gz TZUXTPSIISGZAD-SFHVURJKSA-N -1 0 347.374 3.691 20 0 EHADRM CCc1cccc2c(CC(=O)Oc3ccc(CC(=O)[O-])cc3)c[nH]c21 ZINC000737269827 600034174 /nfs/dbraw/zinc/03/41/74/600034174.db2.gz HYDPHICYLAFCTH-UHFFFAOYSA-N -1 0 337.375 3.506 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Nc2ccnn2C2CCCCC2)cc1 ZINC000739260668 600034746 /nfs/dbraw/zinc/03/47/46/600034746.db2.gz SIMRGIJEASGPLF-UHFFFAOYSA-N -1 0 341.411 3.658 20 0 EHADRM CCc1cccc2c(CC(=O)NC3(C(=O)[O-])CCCCCC3)c[nH]c21 ZINC000431969898 600036964 /nfs/dbraw/zinc/03/69/64/600036964.db2.gz GMXBMFIYCUZBDY-UHFFFAOYSA-N -1 0 342.439 3.567 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)CCc2ccc(C(=O)[O-])cc2)c(C)s1 ZINC000237578981 600038275 /nfs/dbraw/zinc/03/82/75/600038275.db2.gz WVVLHSCRLUHALL-GFCCVEGCSA-N -1 0 331.437 3.873 20 0 EHADRM CC(=O)c1csc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)c1 ZINC000362519768 600038550 /nfs/dbraw/zinc/03/85/50/600038550.db2.gz NQPHIRJFORPLBB-UHFFFAOYSA-N -1 0 347.392 3.688 20 0 EHADRM C[C@@H]1CCN(C(=O)CCc2ccc(C(=O)[O-])cc2)[C@@H]2CCCC[C@@H]12 ZINC000532603199 600038778 /nfs/dbraw/zinc/03/87/78/600038778.db2.gz URBRASJFCVZCCE-FHLIZLRMSA-N -1 0 329.440 3.745 20 0 EHADRM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2cccc(NC(=O)[O-])c2)c1 ZINC000738096527 600038777 /nfs/dbraw/zinc/03/87/77/600038777.db2.gz PFLAZJBBGSAWAK-HOTGVXAUSA-N -1 0 326.352 3.527 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Nc2ccc3ncsc3c2)cc1 ZINC000739259512 600040104 /nfs/dbraw/zinc/04/01/04/600040104.db2.gz FXWWIUHHZDWGTF-UHFFFAOYSA-N -1 0 326.377 3.566 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H](c2ccccc2)c2ccncc2)cc1 ZINC000739467416 600040995 /nfs/dbraw/zinc/04/09/95/600040995.db2.gz UBLKIOBITUKVLA-GOSISDBHSA-N -1 0 347.374 3.691 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@@H](c2ccccc2)c2ccncc2)cc1 ZINC000739467417 600041051 /nfs/dbraw/zinc/04/10/51/600041051.db2.gz UBLKIOBITUKVLA-SFHVURJKSA-N -1 0 347.374 3.691 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000392690527 600041798 /nfs/dbraw/zinc/04/17/98/600041798.db2.gz QELDSJVOPWTUDL-UHFFFAOYSA-N -1 0 339.322 3.735 20 0 EHADRM C[C@H](CN(C)C(=O)CCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000262624420 600043809 /nfs/dbraw/zinc/04/38/09/600043809.db2.gz NJCRBZINESMRKN-OAHLLOKOSA-N -1 0 325.408 3.580 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000262477777 600050519 /nfs/dbraw/zinc/05/05/19/600050519.db2.gz CJNMNELMPHZNDP-UHFFFAOYSA-N -1 0 335.400 3.722 20 0 EHADRM Cc1cccc(C[C@H](CNC(=O)C[C@H](C)c2ccccc2)C(=O)[O-])c1 ZINC000237454371 600061353 /nfs/dbraw/zinc/06/13/53/600061353.db2.gz CEXJWWKLWKUWSL-QFBILLFUSA-N -1 0 339.435 3.548 20 0 EHADRM CC[C@H](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])c1ccccc1 ZINC000236926978 600061614 /nfs/dbraw/zinc/06/16/14/600061614.db2.gz AVYVDMGPLBNUQW-BEFAXECRSA-N -1 0 337.419 3.608 20 0 EHADRM CC/C(=C\C(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000736836088 600062448 /nfs/dbraw/zinc/06/24/48/600062448.db2.gz OKSGELRKALLBKB-SDNWHVSQSA-N -1 0 325.364 3.582 20 0 EHADRM CC1(C)CC(=O)c2ccc(OCc3ccc(F)cc3C(=O)[O-])cc2O1 ZINC000736726579 600080714 /nfs/dbraw/zinc/08/07/14/600080714.db2.gz OFOVLSQEQKQFAU-UHFFFAOYSA-N -1 0 344.338 3.847 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(Cc1cc(-c3cccs3)on1)C2 ZINC000321792275 600083411 /nfs/dbraw/zinc/08/34/11/600083411.db2.gz VHFUZYFPQFJZBF-UHFFFAOYSA-N -1 0 326.377 3.617 20 0 EHADRM Cc1cccc(N(C(C)C)S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1 ZINC000738720452 600084231 /nfs/dbraw/zinc/08/42/31/600084231.db2.gz ARUQVPVQUSTMHU-UHFFFAOYSA-N -1 0 347.436 3.605 20 0 EHADRM CCOC(=O)[C@H](Nc1ccc(N(C)C(=O)[O-])cc1)c1ccccc1 ZINC000737132566 600084714 /nfs/dbraw/zinc/08/47/14/600084714.db2.gz MLDZQFJNYMFARN-MRXNPFEDSA-N -1 0 328.368 3.517 20 0 EHADRM Cc1ccc(-c2nnc([C@@H](C)N3Cc4ccc(C(=O)[O-])cc4C3)o2)cc1 ZINC000738491373 600085312 /nfs/dbraw/zinc/08/53/12/600085312.db2.gz UUBZAKANHMLCST-CYBMUJFWSA-N -1 0 349.390 3.820 20 0 EHADRM CC[C@H](C(=O)Nc1ccc(F)c(NC(=O)[O-])c1)c1c(C)noc1C ZINC000736848034 600085968 /nfs/dbraw/zinc/08/59/68/600085968.db2.gz LNXZIUYQBLTRNN-NSHDSACASA-N -1 0 335.335 3.653 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2ccccc2OCC2CC2)ccc1F ZINC000740012687 600086952 /nfs/dbraw/zinc/08/69/52/600086952.db2.gz RPXLEGJVNSIDBE-UHFFFAOYSA-N -1 0 344.342 3.957 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)CCSCc2ccccn2)ccc1F ZINC000740004933 600087389 /nfs/dbraw/zinc/08/73/89/600087389.db2.gz BBZBPEFXCZAYAB-UHFFFAOYSA-N -1 0 349.387 3.573 20 0 EHADRM CCOc1ccc(C(C)=O)cc1CN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000392584636 600089234 /nfs/dbraw/zinc/08/92/34/600089234.db2.gz FWJIQMRMSAWUTK-UHFFFAOYSA-N -1 0 339.391 3.502 20 0 EHADRM Cc1cccc(OCCC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000738734121 600089938 /nfs/dbraw/zinc/08/99/38/600089938.db2.gz HOCRPAADLIGHGB-UHFFFAOYSA-N -1 0 332.331 3.632 20 0 EHADRM O=C([O-])c1cc(F)ccc1CN1CCO[C@@H](c2ccccc2Cl)C1 ZINC000575130957 600102219 /nfs/dbraw/zinc/10/22/19/600102219.db2.gz ODNCNTDCCXQGHX-QGZVFWFLSA-N -1 0 349.789 3.751 20 0 EHADRM COc1ccccc1C/C(C)=C\C(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC000738124533 600108749 /nfs/dbraw/zinc/10/87/49/600108749.db2.gz QMWLHMSBLQFNCL-QQBSYFJQSA-N -1 0 340.375 3.553 20 0 EHADRM Cc1c(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)oc2c1C(=O)CCC2 ZINC000738253910 600111387 /nfs/dbraw/zinc/11/13/87/600111387.db2.gz UHOFOTFMMLBIGE-UHFFFAOYSA-N -1 0 338.319 3.522 20 0 EHADRM O=C([O-])c1ccc(-c2noc(-c3ccc(Cl)cc3[N+](=O)[O-])n2)cc1 ZINC000324598554 600113092 /nfs/dbraw/zinc/11/30/92/600113092.db2.gz KZAKXKBSTSJRMA-UHFFFAOYSA-N -1 0 345.698 3.663 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)Cc1ccc2ccccc2c1 ZINC000739346481 600113356 /nfs/dbraw/zinc/11/33/56/600113356.db2.gz OIUUNMYMXWCEEL-UHFFFAOYSA-N -1 0 338.334 3.963 20 0 EHADRM Cc1nc(C(F)(F)F)ccc1-c1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000738844756 600114744 /nfs/dbraw/zinc/11/47/44/600114744.db2.gz OHURRASWRCERSU-UHFFFAOYSA-N -1 0 349.268 3.824 20 0 EHADRM CC(C)c1ncc(Cl)c(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)n1 ZINC000736525575 600115207 /nfs/dbraw/zinc/11/52/07/600115207.db2.gz YLQJXRIGKKDJOZ-UHFFFAOYSA-N -1 0 344.758 3.669 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N[C@H]2CCc3ccc(F)cc32)cc1 ZINC000738599853 600116353 /nfs/dbraw/zinc/11/63/53/600116353.db2.gz UKGVCPMVSVIJCA-KRWDZBQOSA-N -1 0 342.370 3.652 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)CC(C)(C)c1ccccc1 ZINC000736185367 600123802 /nfs/dbraw/zinc/12/38/02/600123802.db2.gz BSLYMYYKQOCDNG-UHFFFAOYSA-N -1 0 340.375 3.861 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)CCCc1ccccc1 ZINC000736185254 600125569 /nfs/dbraw/zinc/12/55/69/600125569.db2.gz ALQXLMKQVSSVDC-UHFFFAOYSA-N -1 0 326.348 3.516 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)c1ccc2ccccc2c1 ZINC000736189461 600126021 /nfs/dbraw/zinc/12/60/21/600126021.db2.gz MFVKDUXBKGHXEO-UHFFFAOYSA-N -1 0 334.327 3.960 20 0 EHADRM Cc1ccc(C)c(NC(=O)CNc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000738575188 600127096 /nfs/dbraw/zinc/12/70/96/600127096.db2.gz ZQTVUCFZANIAKP-UHFFFAOYSA-N -1 0 331.347 3.583 20 0 EHADRM CC[C@@](NCc1ncc(-c2ccccc2)o1)(C(=O)[O-])c1ccccc1 ZINC000736920429 600130407 /nfs/dbraw/zinc/13/04/07/600130407.db2.gz OFXOVWZQDZAYHX-FQEVSTJZSA-N -1 0 336.391 3.821 20 0 EHADRM CC[C@](NC(=O)CSc1ccc(C)cc1)(C(=O)[O-])c1ccccc1 ZINC000485363129 600133023 /nfs/dbraw/zinc/13/30/23/600133023.db2.gz YHHNPWRURHSVKR-LJQANCHMSA-N -1 0 343.448 3.593 20 0 EHADRM CC[C@](NC(=O)Cc1c(F)cccc1Cl)(C(=O)[O-])c1ccccc1 ZINC000485368326 600133084 /nfs/dbraw/zinc/13/30/84/600133084.db2.gz OZYXLWLKKKZTSH-GOSISDBHSA-N -1 0 349.789 3.528 20 0 EHADRM CC[C@](NCc1ncc(-c2cccs2)o1)(C(=O)[O-])c1ccccc1 ZINC000736920224 600133141 /nfs/dbraw/zinc/13/31/41/600133141.db2.gz KVGOKSOBLGDSPZ-GOSISDBHSA-N -1 0 342.420 3.883 20 0 EHADRM CC[C@](C)(NC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000362338066 600145793 /nfs/dbraw/zinc/14/57/93/600145793.db2.gz AJGISTPUYGQPBO-PSLIRLAXSA-N -1 0 332.227 3.542 20 0 EHADRM C[C@@H](NC(=S)Nc1ccc(CCC(=O)[O-])cc1)c1cccs1 ZINC000736661203 600149155 /nfs/dbraw/zinc/14/91/55/600149155.db2.gz SASBATAZJTWDPB-LLVKDONJSA-N -1 0 334.466 3.813 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)Cc1ccccc1Br ZINC000120185721 600150277 /nfs/dbraw/zinc/15/02/77/600150277.db2.gz CNOREDQYQQRRIY-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)C[C@H](C)c2ccc(F)cc2)C(=O)[O-])cc1 ZINC000486386521 600154347 /nfs/dbraw/zinc/15/43/47/600154347.db2.gz LCQFBFUPHFDTHA-KBXCAEBGSA-N -1 0 343.398 3.612 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)c2cc3ccccc3s2)C(=O)[O-])cc1 ZINC000486375872 600157502 /nfs/dbraw/zinc/15/75/02/600157502.db2.gz PJGZAAOCZINOAD-OAHLLOKOSA-N -1 0 339.416 3.808 20 0 EHADRM O=C([O-])CCCCNC(=O)NCC1(c2ccccc2)CCCCCC1 ZINC000739671086 600157511 /nfs/dbraw/zinc/15/75/11/600157511.db2.gz NBZULCHAPFROCF-UHFFFAOYSA-N -1 0 346.471 3.833 20 0 EHADRM Cc1cc(C(F)(F)F)c(Nc2ccc(CCC(=O)[O-])cc2)nn1 ZINC000738350920 600162479 /nfs/dbraw/zinc/16/24/79/600162479.db2.gz FXNSVICPKZXKRX-UHFFFAOYSA-N -1 0 325.290 3.565 20 0 EHADRM CC(C)(C)c1ccc(OS(=O)(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC000736298830 600163346 /nfs/dbraw/zinc/16/33/46/600163346.db2.gz FJJCPMNLNMPZFQ-UHFFFAOYSA-N -1 0 348.420 3.591 20 0 EHADRM CSc1ccccc1NC(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000738214610 600176348 /nfs/dbraw/zinc/17/63/48/600176348.db2.gz OHYRJUXVFWJMCU-CQSZACIVSA-N -1 0 344.436 3.707 20 0 EHADRM O=C([O-])CCCc1nc(CSC2=Nc3ccccc3CS2)no1 ZINC000739701668 600185496 /nfs/dbraw/zinc/18/54/96/600185496.db2.gz FIXLBNBCEFADHC-UHFFFAOYSA-N -1 0 349.437 3.645 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2ccccc2)c(OC(F)F)c1 ZINC000740161934 600188508 /nfs/dbraw/zinc/18/85/08/600188508.db2.gz WGCMHGFBLIDRKE-UHFFFAOYSA-N -1 0 338.335 3.795 20 0 EHADRM C[C@H](CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000237414650 600189679 /nfs/dbraw/zinc/18/96/79/600189679.db2.gz IVXUOZNLQLRFKG-SNVBAGLBSA-N -1 0 346.314 3.564 20 0 EHADRM CC(C)COc1ccc(CC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000261983926 600198531 /nfs/dbraw/zinc/19/85/31/600198531.db2.gz WTYVYEHQGVWDIN-UHFFFAOYSA-N -1 0 345.370 3.740 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000621556877 600202093 /nfs/dbraw/zinc/20/20/93/600202093.db2.gz UNIBRMBJRFWJFB-ZDUSSCGKSA-N -1 0 341.432 3.655 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000237509933 600206228 /nfs/dbraw/zinc/20/62/28/600206228.db2.gz LJQYIYULHICJTA-YJBOKZPZSA-N -1 0 325.408 3.821 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000237399111 600206383 /nfs/dbraw/zinc/20/63/83/600206383.db2.gz VRTIDSYSANGNLH-UKRRQHHQSA-N -1 0 331.437 3.882 20 0 EHADRM COc1ccc(CNC(=O)C[C@@H](C)c2ccccc2C)cc1C(=O)[O-] ZINC000237289669 600206495 /nfs/dbraw/zinc/20/64/95/600206495.db2.gz YGWIACBVQBPFBY-CQSZACIVSA-N -1 0 341.407 3.512 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)c1 ZINC000740043759 600206952 /nfs/dbraw/zinc/20/69/52/600206952.db2.gz WSKPMIUHANNYSA-NWDGAFQWSA-N -1 0 332.306 3.797 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)cc1 ZINC000737329918 600207410 /nfs/dbraw/zinc/20/74/10/600207410.db2.gz OXKYBKUDDAXHQP-CHWSQXEVSA-N -1 0 346.333 3.821 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)cc1 ZINC000238048180 600208082 /nfs/dbraw/zinc/20/80/82/600208082.db2.gz RUUMEJAMLWWLCC-KGLIPLIRSA-N -1 0 345.345 3.724 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000740105468 600208826 /nfs/dbraw/zinc/20/88/26/600208826.db2.gz VINWMSIDXFEILJ-HNNXBMFYSA-N -1 0 329.783 3.668 20 0 EHADRM CN(Cc1ncc(-c2ccc(F)cc2)o1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737495677 600213082 /nfs/dbraw/zinc/21/30/82/600213082.db2.gz JMFQPIGRSFFXQZ-SFHVURJKSA-N -1 0 340.354 3.738 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000390730034 600224939 /nfs/dbraw/zinc/22/49/39/600224939.db2.gz OVZYQVXDXZVENJ-UHFFFAOYSA-N -1 0 334.759 3.756 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000736493677 600227510 /nfs/dbraw/zinc/22/75/10/600227510.db2.gz YOVJAXASBXEXKF-UHFFFAOYSA-N -1 0 332.331 3.955 20 0 EHADRM CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)NCCCCC(=O)[O-] ZINC000736389386 600235681 /nfs/dbraw/zinc/23/56/81/600235681.db2.gz BOEPSDFPTCANNN-MRXNPFEDSA-N -1 0 340.851 3.933 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)cc1 ZINC000740132154 600239147 /nfs/dbraw/zinc/23/91/47/600239147.db2.gz DCEOBEHOROVCLM-OLZOCXBDSA-N -1 0 332.302 3.510 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CCc3ccccc3CC2)ccc1Cl ZINC000324934499 600239893 /nfs/dbraw/zinc/23/98/93/600239893.db2.gz OMMVLPYSSWGQJW-UHFFFAOYSA-N -1 0 344.798 3.671 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CCC[C@H]2c2ccco2)c(F)cc1F ZINC000740090439 600240538 /nfs/dbraw/zinc/24/05/38/600240538.db2.gz OBQJAVUYTVPROP-ZDUSSCGKSA-N -1 0 336.294 3.625 20 0 EHADRM CC(C)c1cccc(NC(=S)N2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000736520353 600248320 /nfs/dbraw/zinc/24/83/20/600248320.db2.gz DXRSBKHPZDKTOB-HNNXBMFYSA-N -1 0 332.469 3.694 20 0 EHADRM CCCCc1ccc(NC(=S)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000737003401 600248368 /nfs/dbraw/zinc/24/83/68/600248368.db2.gz GZMYPPXGVIFCOD-INIZCTEOSA-N -1 0 346.496 3.913 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000738084959 600248340 /nfs/dbraw/zinc/24/83/40/600248340.db2.gz KAQAGUZQLVNLEH-UONOGXRCSA-N -1 0 346.766 3.756 20 0 EHADRM CN(CC(=O)Nc1cccc(CSC2CCCCC2)c1)C(=O)[O-] ZINC000737397480 600252235 /nfs/dbraw/zinc/25/22/35/600252235.db2.gz TYXBYKJYURAUQL-UHFFFAOYSA-N -1 0 336.457 3.801 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1cccc(C(=O)[O-])c1 ZINC000237517057 600252441 /nfs/dbraw/zinc/25/24/41/600252441.db2.gz RGWNBQKTWLDRKR-GFCCVEGCSA-N -1 0 331.799 3.741 20 0 EHADRM Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)c(C(=O)[O-])[nH]1 ZINC000738421943 600252593 /nfs/dbraw/zinc/25/25/93/600252593.db2.gz ILBAHHKOXLQRPN-CVEARBPZSA-N -1 0 334.375 3.917 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccccc1 ZINC000262492562 600257477 /nfs/dbraw/zinc/25/74/77/600257477.db2.gz WVJDRKMVVOZSGJ-USXIJHARSA-N -1 0 329.440 3.530 20 0 EHADRM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000736758602 600275059 /nfs/dbraw/zinc/27/50/59/600275059.db2.gz DYFVUFWIBVJHGF-SWLSCSKDSA-N -1 0 342.370 3.934 20 0 EHADRM O=C([O-])c1ccc2nc(SCc3nc4ccccc4[nH]3)oc2c1 ZINC000740213147 600276343 /nfs/dbraw/zinc/27/63/43/600276343.db2.gz ZYYGTDYZDVWGMX-UHFFFAOYSA-N -1 0 325.349 3.695 20 0 EHADRM COc1ccc(CCSc2nc3ccc(C(=O)[O-])cc3o2)cc1 ZINC000737991821 600278436 /nfs/dbraw/zinc/27/84/36/600278436.db2.gz WWDGIMRTHZUIGA-UHFFFAOYSA-N -1 0 329.377 3.869 20 0 EHADRM O=C([O-])c1ccc2nc(SCCOc3cccc(F)c3)oc2c1 ZINC000740212218 600279009 /nfs/dbraw/zinc/27/90/09/600279009.db2.gz GBLLZXUYDBYVNX-UHFFFAOYSA-N -1 0 333.340 3.836 20 0 EHADRM CS[C@@H]1CCC[C@H](NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC000390063858 600287492 /nfs/dbraw/zinc/28/74/92/600287492.db2.gz KUOHLRAQNQHEMS-WCQYABFASA-N -1 0 342.848 3.834 20 0 EHADRM CC[C@@H](CC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccccc1 ZINC000736893443 600289547 /nfs/dbraw/zinc/28/95/47/600289547.db2.gz ZSWCTFSBFAYXGC-HNNXBMFYSA-N -1 0 326.396 3.977 20 0 EHADRM COCc1ccccc1CNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000737834416 600289885 /nfs/dbraw/zinc/28/98/85/600289885.db2.gz DBYBRTNSVNUOTE-UHFFFAOYSA-N -1 0 348.786 3.506 20 0 EHADRM O=C([O-])[C@H]1CC12CCN(Cc1csc(C3CCCCC3)n1)CC2 ZINC000566358424 600293374 /nfs/dbraw/zinc/29/33/74/600293374.db2.gz VYUYMERZSJXPTE-OAHLLOKOSA-N -1 0 334.485 3.878 20 0 EHADRM Cc1ccc(CCC(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1Cl ZINC000738589190 600297467 /nfs/dbraw/zinc/29/74/67/600297467.db2.gz KHGIECKVZMIQCE-UHFFFAOYSA-N -1 0 346.814 3.987 20 0 EHADRM CN(Cc1ccc(Nc2ncnc3cccc(F)c32)cc1)C(=O)[O-] ZINC000737485875 600313132 /nfs/dbraw/zinc/31/31/32/600313132.db2.gz JRLLDRFPHOKCMZ-UHFFFAOYSA-N -1 0 326.331 3.622 20 0 EHADRM COc1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)ccc1C ZINC000737861173 600322194 /nfs/dbraw/zinc/32/21/94/600322194.db2.gz AOUMMVBDPUWFBV-HNNXBMFYSA-N -1 0 334.755 3.640 20 0 EHADRM O=C([O-])[C@@H](OC(=O)CCc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000739261579 600322731 /nfs/dbraw/zinc/32/27/31/600322731.db2.gz VIBIHQMLHFTLHT-INIZCTEOSA-N -1 0 336.746 3.781 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000739513158 600323118 /nfs/dbraw/zinc/32/31/18/600323118.db2.gz RHXDJOQYXSKYFE-ARFHVFGLSA-N -1 0 348.757 3.952 20 0 EHADRM C[C@@H](Nc1ccc(CNC(=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000736673525 600326863 /nfs/dbraw/zinc/32/68/63/600326863.db2.gz WPAYJXNROARPOV-LLVKDONJSA-N -1 0 347.802 3.547 20 0 EHADRM O=C([O-])[C@H](OC(=O)CCSC(F)(F)F)c1cccc(Cl)c1 ZINC000739252275 600326848 /nfs/dbraw/zinc/32/68/48/600326848.db2.gz RHOASDWBQTWJMU-SNVBAGLBSA-N -1 0 342.722 3.652 20 0 EHADRM CC(C)c1nc(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)cs1 ZINC000736526584 600328133 /nfs/dbraw/zinc/32/81/33/600328133.db2.gz YPUZSGISWRJNAL-GFCCVEGCSA-N -1 0 339.800 3.903 20 0 EHADRM CCc1ccc(CSCC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000737267495 600328546 /nfs/dbraw/zinc/32/85/46/600328546.db2.gz YGINUKPYLNWGKW-UHFFFAOYSA-N -1 0 329.421 3.819 20 0 EHADRM C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1Cc1ccc(F)cc1C(=O)[O-] ZINC000736823546 600331793 /nfs/dbraw/zinc/33/17/93/600331793.db2.gz XMAYCBBEMWJTQN-BIENJYKASA-N -1 0 343.398 3.874 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC000405372450 600336972 /nfs/dbraw/zinc/33/69/72/600336972.db2.gz AOYYEDHZQAKGNN-CZUORRHYSA-N -1 0 346.427 3.583 20 0 EHADRM CN(Cc1ccc(NC(=O)Nc2ccc3[nH]ccc3c2)cc1)C(=O)[O-] ZINC000737479891 600338274 /nfs/dbraw/zinc/33/82/74/600338274.db2.gz AXLHTFCGBCWMPB-UHFFFAOYSA-N -1 0 338.367 3.922 20 0 EHADRM CC(C)(C)[C@H](NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccccc1 ZINC000736242926 600345754 /nfs/dbraw/zinc/34/57/54/600345754.db2.gz OHKQKHHMDWUTIN-HZPDHXFCSA-N -1 0 344.455 3.670 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)NC2(c3ccccc3)CCC2)cc1 ZINC000739988759 600350811 /nfs/dbraw/zinc/35/08/11/600350811.db2.gz WSQKNCFPSVNDHD-UHFFFAOYSA-N -1 0 339.395 3.655 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1cc(F)ccc1F ZINC000736647840 600353303 /nfs/dbraw/zinc/35/33/03/600353303.db2.gz AFHUNJPCDMLWAZ-JTQLQIEISA-N -1 0 349.337 3.615 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)C(C)C ZINC000738757643 600353861 /nfs/dbraw/zinc/35/38/61/600353861.db2.gz DCWLPECWSMTYGL-IAGOWNOFSA-N -1 0 344.455 3.588 20 0 EHADRM Cc1nc2c(s1)[C@H](N(C)C(=O)Nc1cccc(C(=O)[O-])c1)CCC2 ZINC000738872557 600356349 /nfs/dbraw/zinc/35/63/49/600356349.db2.gz HVLSJWOQKYRSBD-CQSZACIVSA-N -1 0 345.424 3.691 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000236975639 600366655 /nfs/dbraw/zinc/36/66/55/600366655.db2.gz IAALNBZGKZTQPQ-CQSZACIVSA-N -1 0 325.408 3.757 20 0 EHADRM Cc1cc(NC(=O)CCCOc2cccc(F)c2)sc1C(=O)[O-] ZINC000738420553 600370796 /nfs/dbraw/zinc/37/07/96/600370796.db2.gz ATOGVTKCJROFLY-UHFFFAOYSA-N -1 0 337.372 3.692 20 0 EHADRM Cc1cc(COC(=O)[C@H](C)CSc2ccccc2)oc1C(=O)[O-] ZINC000738392116 600371736 /nfs/dbraw/zinc/37/17/36/600371736.db2.gz INLHNYBUTYELGR-GFCCVEGCSA-N -1 0 334.393 3.758 20 0 EHADRM CC[C@@H](CC(=O)Nc1nc(CC(=O)[O-])cs1)c1ccc(C)cc1 ZINC000236935361 600376099 /nfs/dbraw/zinc/37/60/99/600376099.db2.gz BPXNCNCPFPLSSE-LBPRGKRZSA-N -1 0 332.425 3.601 20 0 EHADRM CCn1c(S[C@H](C(=O)[O-])c2cccc(Cl)c2)nnc1C1CC1 ZINC000737295524 600378069 /nfs/dbraw/zinc/37/80/69/600378069.db2.gz JJPFRZGLIBEEAE-LBPRGKRZSA-N -1 0 337.832 3.747 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2coc(-c3ccccc3)n2)ccc1F ZINC000740013025 600378278 /nfs/dbraw/zinc/37/82/78/600378278.db2.gz VRDKADRNMSKXOR-UHFFFAOYSA-N -1 0 341.298 3.823 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)CCc1cccc(C)c1)c1ccccc1 ZINC000736852733 600378537 /nfs/dbraw/zinc/37/85/37/600378537.db2.gz PRXNDVUVEOTEKL-SFHVURJKSA-N -1 0 325.408 3.824 20 0 EHADRM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000736825104 600378918 /nfs/dbraw/zinc/37/89/18/600378918.db2.gz KZJRHHLTOFLTTM-HWPZZCPQSA-N -1 0 328.343 3.579 20 0 EHADRM C[C@H](C(=O)Nc1ccc(OCCCC(=O)[O-])cc1)c1ccsc1 ZINC000263176597 600379087 /nfs/dbraw/zinc/37/90/87/600379087.db2.gz TWDYPXWQCRLSEQ-LBPRGKRZSA-N -1 0 333.409 3.734 20 0 EHADRM COC(=O)c1ccc2nc(S[C@@H](C(=O)[O-])c3ccccc3)oc2c1 ZINC000737707563 600380151 /nfs/dbraw/zinc/38/01/51/600380151.db2.gz HYXFBCSHGWMRQI-CQSZACIVSA-N -1 0 343.360 3.532 20 0 EHADRM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC(C)(C)CCC(=O)[O-] ZINC000237440075 600381733 /nfs/dbraw/zinc/38/17/33/600381733.db2.gz ZYWOCEVBEQBXLB-CYBMUJFWSA-N -1 0 335.444 3.511 20 0 EHADRM O=C([O-])C1CCC(NC(=O)c2ccc(OC3CCCCC3)cc2)CC1 ZINC000507295887 600383780 /nfs/dbraw/zinc/38/37/80/600383780.db2.gz QIWMDEXHSDSDIF-UHFFFAOYSA-N -1 0 345.439 3.771 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@@H](C)c1cccc(OC)c1)c1ccccc1 ZINC000736848107 600386426 /nfs/dbraw/zinc/38/64/26/600386426.db2.gz MLINRQNXVUPCFO-KBXCAEBGSA-N -1 0 341.407 3.695 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)C=Cc2ccccc2Cl)cc1 ZINC000740016108 600387340 /nfs/dbraw/zinc/38/73/40/600387340.db2.gz BKTMOGRSYDAMMQ-YFHOEESVSA-N -1 0 344.798 3.802 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736323508 600389092 /nfs/dbraw/zinc/38/90/92/600389092.db2.gz FULIQNGEGPXBSX-UHFFFAOYSA-N -1 0 326.396 3.662 20 0 EHADRM CCC[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccccn1 ZINC000736972508 600389671 /nfs/dbraw/zinc/38/96/71/600389671.db2.gz GMTGLNXJWZQTEM-HNNXBMFYSA-N -1 0 331.347 3.582 20 0 EHADRM CC(C)CO[C@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000532004722 600391816 /nfs/dbraw/zinc/39/18/16/600391816.db2.gz LTJJJDDNFHYSAW-RHSMWYFYSA-N -1 0 349.471 3.677 20 0 EHADRM Cc1ccc(CN(C(=O)Nc2ccc(C(=O)[O-])cc2F)C2CC2)o1 ZINC000738591416 600397274 /nfs/dbraw/zinc/39/72/74/600397274.db2.gz BUHBLNMNUVMPAY-UHFFFAOYSA-N -1 0 332.331 3.622 20 0 EHADRM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000565101667 600403423 /nfs/dbraw/zinc/40/34/23/600403423.db2.gz SCMBVWYXYSSNLE-DLBZAZTESA-N -1 0 349.789 3.678 20 0 EHADRM O=C([O-])CCCCCCNC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000739666879 600411325 /nfs/dbraw/zinc/41/13/25/600411325.db2.gz WSXZIHKRFXOSDW-IAGOWNOFSA-N -1 0 332.444 3.657 20 0 EHADRM O=C([O-])[C@@H](Nc1cccc(N2CCCCC2=O)c1)c1ccc(F)cc1 ZINC000739511493 600423069 /nfs/dbraw/zinc/42/30/69/600423069.db2.gz HKGJWGHJFXEEFE-SFHVURJKSA-N -1 0 342.370 3.580 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000736628146 600426407 /nfs/dbraw/zinc/42/64/07/600426407.db2.gz WJAVTTLFYSLSNE-CQSZACIVSA-N -1 0 345.826 3.632 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)[C@H](C)Cc1ccccc1 ZINC000737872348 600426752 /nfs/dbraw/zinc/42/67/52/600426752.db2.gz OTFSRXDFXVZNBP-CFRMROPGSA-N -1 0 340.375 3.577 20 0 EHADRM O=C([O-])[C@H](Nc1ccc(N2CCOC2=O)cc1)c1cccc(Cl)c1 ZINC000739512411 600428548 /nfs/dbraw/zinc/42/85/48/600428548.db2.gz NCGCYFHHDSXZDE-OAHLLOKOSA-N -1 0 346.770 3.534 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)CCc2ccc(Cl)c(Cl)c2)c1 ZINC000739260525 600432280 /nfs/dbraw/zinc/43/22/80/600432280.db2.gz KQKFLSZKGOZZFH-UHFFFAOYSA-N -1 0 339.178 3.658 20 0 EHADRM O=C([O-])c1ccc(-c2ccc(C(=O)OCC3CCOCC3)cc2)cc1 ZINC000740096669 600440204 /nfs/dbraw/zinc/44/02/04/600440204.db2.gz CCKQZALEGMCFQI-UHFFFAOYSA-N -1 0 340.375 3.635 20 0 EHADRM CSc1ccc(C)c(C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000738214503 600449409 /nfs/dbraw/zinc/44/94/09/600449409.db2.gz ZGDLIFPZHOOJHL-OAHLLOKOSA-N -1 0 334.368 3.839 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)NC2(c3ccc(Cl)cc3)CC2)cc1 ZINC000238064372 600449593 /nfs/dbraw/zinc/44/95/93/600449593.db2.gz WRHRNDHTVZFSRX-UHFFFAOYSA-N -1 0 343.810 3.776 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)NCC(C)(C)c1cccs1 ZINC000325224709 600451589 /nfs/dbraw/zinc/45/15/89/600451589.db2.gz NJMHCQKACHGOQI-UHFFFAOYSA-N -1 0 346.452 3.566 20 0 EHADRM Cc1cccc(C)c1CSCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000738694905 600453643 /nfs/dbraw/zinc/45/36/43/600453643.db2.gz ASDGBEBLLLASTN-UHFFFAOYSA-N -1 0 329.421 3.874 20 0 EHADRM CC/C(=C/C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000736833298 600455526 /nfs/dbraw/zinc/45/55/26/600455526.db2.gz BGOOUZMNKGXGKH-MENFKHAKSA-N -1 0 328.339 3.988 20 0 EHADRM CN(C(=O)Nc1ccc(F)c(C(=O)[O-])c1)[C@H]1CCc2ccccc2C1 ZINC000737328717 600455715 /nfs/dbraw/zinc/45/57/15/600455715.db2.gz IWGLBUDNECPTRM-HNNXBMFYSA-N -1 0 342.370 3.545 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)C[C@H]1CCOc2ccccc21 ZINC000739223653 600457954 /nfs/dbraw/zinc/45/79/54/600457954.db2.gz RPMCFCHJVUQUQQ-GFCCVEGCSA-N -1 0 344.338 3.524 20 0 EHADRM O=C([O-])c1ccoc1COC(=O)C1(c2cccs2)CCCCC1 ZINC000740254387 600467252 /nfs/dbraw/zinc/46/72/52/600467252.db2.gz XBJTUFZVDWNRRX-UHFFFAOYSA-N -1 0 334.393 3.985 20 0 EHADRM Cc1oc(CSc2nc3sc(C)c(C)c3c(N)n2)cc1C(=O)[O-] ZINC000738974789 600473374 /nfs/dbraw/zinc/47/33/74/600473374.db2.gz GNIQAXINPMJDMF-UHFFFAOYSA-N -1 0 349.437 3.782 20 0 EHADRM CC[C@@H](c1ccncc1)N(C)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000736930403 600475107 /nfs/dbraw/zinc/47/51/07/600475107.db2.gz VJERMDRCUSIQSQ-HNNXBMFYSA-N -1 0 331.347 3.534 20 0 EHADRM Cc1ccc([C@H](C)CNC(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000738553703 600475944 /nfs/dbraw/zinc/47/59/44/600475944.db2.gz YPLKDQMFLDHQQX-GFCCVEGCSA-N -1 0 330.359 3.758 20 0 EHADRM Cc1ccc([C@@H](C)CNC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000738553713 600476017 /nfs/dbraw/zinc/47/60/17/600476017.db2.gz YSOXAYVDMHDXHP-NSHDSACASA-N -1 0 348.349 3.897 20 0 EHADRM CCSc1cc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)ccn1 ZINC000737230838 600477975 /nfs/dbraw/zinc/47/79/75/600477975.db2.gz FLXSFBFCMVFZFA-UHFFFAOYSA-N -1 0 336.800 3.798 20 0 EHADRM C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000320888663 600479649 /nfs/dbraw/zinc/47/96/49/600479649.db2.gz YGSTYGYFSQUXRD-SECBINFHSA-N -1 0 337.734 3.583 20 0 EHADRM Cc1ccccc1C1(C(=O)NCc2ccc(C(=O)[O-])o2)CCCCC1 ZINC000561707504 600479742 /nfs/dbraw/zinc/47/97/42/600479742.db2.gz UEBDZUSOSIMDGJ-UHFFFAOYSA-N -1 0 341.407 3.805 20 0 EHADRM CC(C)(C)Sc1ccc(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000263507736 600480237 /nfs/dbraw/zinc/48/02/37/600480237.db2.gz WIDUCJHKGYGGPT-GFCCVEGCSA-N -1 0 336.457 3.906 20 0 EHADRM CCc1ccc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)cc1 ZINC000237146141 600482149 /nfs/dbraw/zinc/48/21/49/600482149.db2.gz UHKQEVYVICPNTK-UHFFFAOYSA-N -1 0 327.380 3.745 20 0 EHADRM Cc1ccc([C@H](C)CNC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000738553296 600482124 /nfs/dbraw/zinc/48/21/24/600482124.db2.gz WECINJSWDYMTQG-GFCCVEGCSA-N -1 0 330.359 3.758 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)C(F)(F)c2ccccc2)cc1 ZINC000739686882 600482193 /nfs/dbraw/zinc/48/21/93/600482193.db2.gz WWTZYAHQKKFKON-UHFFFAOYSA-N -1 0 349.333 3.661 20 0 EHADRM Cn1ccc2c1cccc2C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000237811510 600486291 /nfs/dbraw/zinc/48/62/91/600486291.db2.gz ZLVUFFAATFBOPS-UHFFFAOYSA-N -1 0 328.755 3.782 20 0 EHADRM O=C([O-])c1cccc(CN2CCc3cccc(Br)c3C2)c1 ZINC000740221346 600489865 /nfs/dbraw/zinc/48/98/65/600489865.db2.gz PSFFQNINMKGFLU-UHFFFAOYSA-N -1 0 346.224 3.706 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)N[C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000739574259 600490624 /nfs/dbraw/zinc/49/06/24/600490624.db2.gz ZLSJTXRWPBOKDQ-ROUUACIJSA-N -1 0 344.455 3.814 20 0 EHADRM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)c1ccc(C(=O)[O-])cn1 ZINC000562926794 600496585 /nfs/dbraw/zinc/49/65/85/600496585.db2.gz ZHKNDAZOQALAMA-QGZVFWFLSA-N -1 0 326.396 3.558 20 0 EHADRM COc1ccc(NC(=O)Nc2ccc(OCCCC(=O)[O-])cc2)cc1 ZINC000738034824 600504073 /nfs/dbraw/zinc/50/40/73/600504073.db2.gz SQVUXJSMENLJMI-UHFFFAOYSA-N -1 0 344.367 3.583 20 0 EHADRM C[C@H](CN(C)C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)C(=O)[O-] ZINC000237579741 600504494 /nfs/dbraw/zinc/50/44/94/600504494.db2.gz LSOJBKXJKMBQNI-LLVKDONJSA-N -1 0 349.333 3.550 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)Nc2cccc(F)c2)cc1 ZINC000739686611 600504876 /nfs/dbraw/zinc/50/48/76/600504876.db2.gz OFPRTOFTTICASZ-UHFFFAOYSA-N -1 0 332.331 3.713 20 0 EHADRM O=C([O-])[C@@H](OC(=O)[C@@H]1CSc2ccccc21)c1cccc(Cl)c1 ZINC000740288419 600505616 /nfs/dbraw/zinc/50/56/16/600505616.db2.gz AAIGSKCKQVWMTF-HIFRSBDPSA-N -1 0 348.807 3.898 20 0 EHADRM CCN(Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)C[C@H]1CCCO1 ZINC000519601230 600507933 /nfs/dbraw/zinc/50/79/33/600507933.db2.gz JFHFLLMWEXLRMD-MRXNPFEDSA-N -1 0 346.452 3.509 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N(Cc2ccccn2)C2CC2)cc1Cl ZINC000740147700 600511288 /nfs/dbraw/zinc/51/12/88/600511288.db2.gz OJVZEAHOGVSVLW-UHFFFAOYSA-N -1 0 345.786 3.630 20 0 EHADRM Cc1cccc([C@H](C)C(=O)Nc2ccc(OCCC(=O)[O-])cc2)c1 ZINC000237457343 600524994 /nfs/dbraw/zinc/52/49/94/600524994.db2.gz GKYHAWVATYUAIQ-AWEZNQCLSA-N -1 0 327.380 3.591 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)c(F)c1 ZINC000739338478 600526735 /nfs/dbraw/zinc/52/67/35/600526735.db2.gz IQGKXYFQEAPOEC-UHFFFAOYSA-N -1 0 346.745 3.840 20 0 EHADRM CC(C)(Oc1cccc(Cl)c1)C(=O)Oc1ccc(C(=O)[O-])cc1 ZINC000736343627 600532153 /nfs/dbraw/zinc/53/21/53/600532153.db2.gz HBYCZLIVTBZOBN-UHFFFAOYSA-N -1 0 334.755 3.801 20 0 EHADRM COc1ccccc1CC(C)(C)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000262270441 600533423 /nfs/dbraw/zinc/53/34/23/600533423.db2.gz IHJPNYALQGTVKY-UHFFFAOYSA-N -1 0 341.407 3.530 20 0 EHADRM CC(C)[C@H]1CCCN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)CC1 ZINC000736396504 600542730 /nfs/dbraw/zinc/54/27/30/600542730.db2.gz WFPNNKJLOHXZNF-HNNXBMFYSA-N -1 0 348.443 3.830 20 0 EHADRM CCCn1ccc2cc(NC(=O)NCc3ccc(C(=O)[O-])o3)ccc21 ZINC000737050804 600543879 /nfs/dbraw/zinc/54/38/79/600543879.db2.gz NUDOTRONBKVTPC-UHFFFAOYSA-N -1 0 341.367 3.664 20 0 EHADRM C[C@@]1(NC(=O)NCCCCCCC(=O)[O-])CCCc2ccccc21 ZINC000736738906 600544758 /nfs/dbraw/zinc/54/47/58/600544758.db2.gz UAAZOBLVOVQOEX-LJQANCHMSA-N -1 0 332.444 3.572 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000736929090 600551763 /nfs/dbraw/zinc/55/17/63/600551763.db2.gz OHIXQYYBKMZBEX-AWEZNQCLSA-N -1 0 325.792 3.715 20 0 EHADRM C[C@@H](C(=O)N1CCCC[C@H]1CC(=O)[O-])c1c(Cl)cccc1Cl ZINC000666364408 600553588 /nfs/dbraw/zinc/55/35/88/600553588.db2.gz YQDUUFXIWAJUMN-MNOVXSKESA-N -1 0 344.238 3.953 20 0 EHADRM CC(C)[C@H](C)C(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC000736355682 600554872 /nfs/dbraw/zinc/55/48/72/600554872.db2.gz SLBLMXILKIPOLS-NSHDSACASA-N -1 0 332.425 3.663 20 0 EHADRM C[C@H](CN(C(=O)[C@H](C)c1c(Cl)cccc1Cl)C1CC1)C(=O)[O-] ZINC000666364248 600554992 /nfs/dbraw/zinc/55/49/92/600554992.db2.gz FPDFPGBBAQFSRD-NXEZZACHSA-N -1 0 344.238 3.809 20 0 EHADRM Cc1c(NC(=O)NCc2ccc3ccccc3n2)cccc1C(=O)[O-] ZINC000738306585 600556585 /nfs/dbraw/zinc/55/65/85/600556585.db2.gz UZUNRHMEPLANFA-UHFFFAOYSA-N -1 0 335.363 3.563 20 0 EHADRM O=C([O-])C1CCN(C(=O)N[C@@H](c2ccccc2)C2CCCCC2)CC1 ZINC000739592576 600560950 /nfs/dbraw/zinc/56/09/50/600560950.db2.gz BJTSHEIKHZOZSG-SFHVURJKSA-N -1 0 344.455 3.814 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1cc2c3ccccc3n(C)c2s1 ZINC000736464563 600562843 /nfs/dbraw/zinc/56/28/43/600562843.db2.gz GGMXTBOJSCTSRO-UHFFFAOYSA-N -1 0 344.436 3.718 20 0 EHADRM CCCCC[C@@H](NC(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000736983266 600564461 /nfs/dbraw/zinc/56/44/61/600564461.db2.gz DEDXZIAABTZJND-QGZVFWFLSA-N -1 0 332.444 3.814 20 0 EHADRM O=C([O-])c1ccc(CS[C@@H]2CCCN(c3ccccc3)C2=O)cc1 ZINC000740135047 600567553 /nfs/dbraw/zinc/56/75/53/600567553.db2.gz KIVYSYQWMGPKBE-QGZVFWFLSA-N -1 0 341.432 3.814 20 0 EHADRM CC(C)(C(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1cccs1 ZINC000736223772 600569630 /nfs/dbraw/zinc/56/96/30/600569630.db2.gz NTZOOJVFVIHILD-UHFFFAOYSA-N -1 0 325.336 3.641 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OC(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000739339513 600572146 /nfs/dbraw/zinc/57/21/46/600572146.db2.gz XMWWJUSFDMLSRD-UHFFFAOYSA-N -1 0 347.729 3.807 20 0 EHADRM CC(C)[C@H](S[C@H](C)CC(=O)[O-])C(=O)Nc1cccc2ncccc21 ZINC000736549870 600583505 /nfs/dbraw/zinc/58/35/05/600583505.db2.gz LRAPPHSWZDKYBJ-PXAZEXFGSA-N -1 0 346.452 3.794 20 0 EHADRM C[C@H](CC(=O)[O-])S[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000736552608 600583568 /nfs/dbraw/zinc/58/35/68/600583568.db2.gz NWNFVYRUDALLNI-OUAUKWLOSA-N -1 0 329.849 3.502 20 0 EHADRM Cc1c(Cl)cccc1OCC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000554099753 600584200 /nfs/dbraw/zinc/58/42/00/600584200.db2.gz CPVYMIYPJFAABS-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM CC(C)[C@H](S[C@@H](C)CC(=O)[O-])C(=O)NC1CCCCCCC1 ZINC000736549329 600586921 /nfs/dbraw/zinc/58/69/21/600586921.db2.gz JJOAGQORKDIPSM-BBRMVZONSA-N -1 0 329.506 3.837 20 0 EHADRM CC(C)Cc1ccc([C@H](C)NC(=O)CS[C@H](C)CC(=O)[O-])cc1 ZINC000736454243 600589313 /nfs/dbraw/zinc/58/93/13/600589313.db2.gz SJXKQICKHVKIMJ-KGLIPLIRSA-N -1 0 337.485 3.659 20 0 EHADRM C[C@H](CC(=O)[O-])S[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000736551802 600589364 /nfs/dbraw/zinc/58/93/64/600589364.db2.gz KPJGOTKSCXFJGH-RKDXNWHRSA-N -1 0 335.347 3.629 20 0 EHADRM CN(C(=O)/C=C\c1ccnc2ccccc12)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737313477 600592509 /nfs/dbraw/zinc/59/25/09/600592509.db2.gz KMOQHDCPCILFNE-ZCPJJFRWSA-N -1 0 346.386 3.532 20 0 EHADRM CN(C(=O)c1ccccc1C(F)(F)F)[C@H](C(=O)[O-])c1ccccc1 ZINC000737340225 600592914 /nfs/dbraw/zinc/59/29/14/600592914.db2.gz DSRQISBRZFQKGV-AWEZNQCLSA-N -1 0 337.297 3.603 20 0 EHADRM CN(C(=O)c1ccc(Cl)cc1Cl)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737337097 600596553 /nfs/dbraw/zinc/59/65/53/600596553.db2.gz UZASUNYVOPMDAG-CQSZACIVSA-N -1 0 338.190 3.891 20 0 EHADRM O=C([O-])[C@@H](Nc1ccc(O[C@H]2CCOC2)cc1)c1cccc(Cl)c1 ZINC000739511685 600599695 /nfs/dbraw/zinc/59/96/95/600599695.db2.gz IZEBYXXDOCSTLH-IRXDYDNUSA-N -1 0 347.798 3.746 20 0 EHADRM Cc1cccc(CSCC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000738717483 600601100 /nfs/dbraw/zinc/60/11/00/600601100.db2.gz LWWKWXZMLWDALL-SFHVURJKSA-N -1 0 343.448 3.513 20 0 EHADRM CC(C)Cc1ccc([C@@H](C)NC(=O)CSC[C@@H](C)C(=O)[O-])cc1 ZINC000736454820 600602775 /nfs/dbraw/zinc/60/27/75/600602775.db2.gz XCSFGTJKUZJAIY-ZIAGYGMSSA-N -1 0 337.485 3.516 20 0 EHADRM CC(C)c1cccc(O[C@H](C)C(=O)N(CC(=O)[O-])c2ccccc2)c1 ZINC000736704592 600606013 /nfs/dbraw/zinc/60/60/13/600606013.db2.gz UCBKUFQHRHSJDF-OAHLLOKOSA-N -1 0 341.407 3.695 20 0 EHADRM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cccc(C(=O)[O-])c1 ZINC000237102850 600608701 /nfs/dbraw/zinc/60/87/01/600608701.db2.gz DXRWSWYWKNPSGC-BZNIZROVSA-N -1 0 347.798 3.544 20 0 EHADRM Cc1ccc(-c2nn(CN(CCC(=O)[O-])C(C)C)c(=S)o2)c(C)c1 ZINC000738489650 600609080 /nfs/dbraw/zinc/60/90/80/600609080.db2.gz DBLRLSGBXSGPSI-UHFFFAOYSA-N -1 0 349.456 3.632 20 0 EHADRM CC(C)CC[C@@H](NC(=O)c1cccc(OCC(=O)[O-])c1)C(C)(C)C ZINC000736426658 600610133 /nfs/dbraw/zinc/61/01/33/600610133.db2.gz MHDSZTZHVFFQJI-MRXNPFEDSA-N -1 0 335.444 3.731 20 0 EHADRM C[C@](NC(=O)CCCSc1ccc(Cl)cc1)(C(=O)[O-])C1CC1 ZINC000237436555 600617426 /nfs/dbraw/zinc/61/74/26/600617426.db2.gz BNSGXXGBLWMMIX-MRXNPFEDSA-N -1 0 341.860 3.582 20 0 EHADRM C[C@@H](Oc1ccccc1F)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000322683220 600619384 /nfs/dbraw/zinc/61/93/84/600619384.db2.gz HKYAUJSEQRGPOC-SECBINFHSA-N -1 0 337.734 3.583 20 0 EHADRM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000738095471 600619986 /nfs/dbraw/zinc/61/99/86/600619986.db2.gz IEHZMNLJXZOMON-JKSUJKDBSA-N -1 0 345.782 3.789 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)[O-] ZINC000237031327 600624638 /nfs/dbraw/zinc/62/46/38/600624638.db2.gz HYKKUUTUNCPBIF-KZULUSFZSA-N -1 0 347.386 3.634 20 0 EHADRM Cc1nc2sc3c(c2c(SC[C@@H](C)C(=O)[O-])n1)CC[C@H](C)C3 ZINC000738869304 600626222 /nfs/dbraw/zinc/62/62/22/600626222.db2.gz JMMQJAMMJKJAHW-DTWKUNHWSA-N -1 0 336.482 3.937 20 0 EHADRM Cc1cc(OCC(=O)N[C@@H](c2ccccc2)C(C)C)c(C(=O)[O-])s1 ZINC000738464717 600639003 /nfs/dbraw/zinc/63/90/03/600639003.db2.gz MMRWMRDGJJWOIQ-MRXNPFEDSA-N -1 0 347.436 3.647 20 0 EHADRM CCN(C(=O)CCCOc1ccccc1F)c1ccccc1C(=O)[O-] ZINC000737052638 600646839 /nfs/dbraw/zinc/64/68/39/600646839.db2.gz MRDGGHJIMSPRKB-UHFFFAOYSA-N -1 0 345.370 3.736 20 0 EHADRM CSc1ccc(O[C@@H](C)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000738210970 600661040 /nfs/dbraw/zinc/66/10/40/600661040.db2.gz FFUZWIYSRCWFIY-JTQLQIEISA-N -1 0 349.383 3.652 20 0 EHADRM CCOc1ccc2nc(NC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)sc2c1 ZINC000391545610 600665057 /nfs/dbraw/zinc/66/50/57/600665057.db2.gz DGPJFOSICOAGSV-QWRGUYRKSA-N -1 0 348.424 3.525 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccc(Nc3ccccc3)nc2)C1 ZINC000739573955 600665061 /nfs/dbraw/zinc/66/50/61/600665061.db2.gz QQHRNVWDQJTBDX-KBPBESRZSA-N -1 0 339.395 3.655 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N2CCSC[C@@H]2CC(=O)[O-])cc1 ZINC000236746799 600666436 /nfs/dbraw/zinc/66/64/36/600666436.db2.gz GXMXOUXZJBEBDQ-PBHICJAKSA-N -1 0 349.496 3.722 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)C1 ZINC000245696457 600667203 /nfs/dbraw/zinc/66/72/03/600667203.db2.gz LCARVJJURSJKHV-INMHGKMJSA-N -1 0 333.403 3.674 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)c1cnc(-c2ccccc2)s1 ZINC000739894898 600676336 /nfs/dbraw/zinc/67/63/36/600676336.db2.gz CTHKVGRNGXLJGC-UHFFFAOYSA-N -1 0 339.372 3.656 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)c1ccc(Cl)c(Cl)c1 ZINC000739895974 600676777 /nfs/dbraw/zinc/67/67/77/600676777.db2.gz KDWCUBPIJRDUSP-UHFFFAOYSA-N -1 0 325.147 3.840 20 0 EHADRM C[C@@H](CC(=O)O[C@@H](C(=O)[O-])c1ccccc1F)c1cccc(F)c1 ZINC000827392104 600677281 /nfs/dbraw/zinc/67/72/81/600677281.db2.gz SHDNNYOUVYRBGZ-APPDUMDISA-N -1 0 334.318 3.828 20 0 EHADRM Cc1ncc(Cl)c(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])n1 ZINC000237872551 600678392 /nfs/dbraw/zinc/67/83/92/600678392.db2.gz MMNVVMQVBSHMKT-UHFFFAOYSA-N -1 0 341.754 3.542 20 0 EHADRM Cc1ccc(NC(=O)CNc2ccc(C(C)(C)C(=O)[O-])cc2)c(C)c1 ZINC000738622597 600680932 /nfs/dbraw/zinc/68/09/32/600680932.db2.gz YBOPFEHUFXJTLM-UHFFFAOYSA-N -1 0 340.423 3.716 20 0 EHADRM O=C([O-])c1cccc(-c2noc(Cc3ccc(OC(F)F)cc3)n2)c1 ZINC000833327632 600700530 /nfs/dbraw/zinc/70/05/30/600700530.db2.gz QWKWHCIYHXRTSE-UHFFFAOYSA-N -1 0 346.289 3.627 20 0 EHADRM CCCN(C(=O)c1ccc(C(=O)[O-])s1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000236741033 600701669 /nfs/dbraw/zinc/70/16/69/600701669.db2.gz XUAZUWSNJVNGIQ-ZIAGYGMSSA-N -1 0 339.457 3.502 20 0 EHADRM C[C@@H](CC(=O)c1cccc(F)c1)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000827392234 600708339 /nfs/dbraw/zinc/70/83/39/600708339.db2.gz WCYLSTQWJIKIHI-QWRGUYRKSA-N -1 0 348.326 3.630 20 0 EHADRM O=C([O-])[C@@H](OC(=O)[C@@H]1CCSc2ccccc21)c1ccccc1 ZINC000833350949 600710732 /nfs/dbraw/zinc/71/07/32/600710732.db2.gz MSCKJIHEGDOLKY-ZBFHGGJFSA-N -1 0 328.389 3.635 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000827427585 600721515 /nfs/dbraw/zinc/72/15/15/600721515.db2.gz LGLMFFGOKMXPCA-VXGBXAGGSA-N -1 0 334.343 3.990 20 0 EHADRM C/C(=C\CSc1nnc(-c2ccccc2F)n1CC(C)C)C(=O)[O-] ZINC000825793173 600723869 /nfs/dbraw/zinc/72/38/69/600723869.db2.gz NZVBJWDFMFRLEA-XYOKQWHBSA-N -1 0 349.431 3.863 20 0 EHADRM C/C(=C/CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)C(=O)[O-] ZINC000825792872 600726413 /nfs/dbraw/zinc/72/64/13/600726413.db2.gz KDZRTSLRRWJMJZ-BENRWUELSA-N -1 0 345.468 3.903 20 0 EHADRM CCOc1ccc(N[C@H](C(=O)[O-])c2ccccc2F)cc1OCC ZINC000830085136 600732220 /nfs/dbraw/zinc/73/22/20/600732220.db2.gz PLHXFPXAJWEDJB-KRWDZBQOSA-N -1 0 333.359 3.861 20 0 EHADRM CC(C)C(=O)Nc1ccc(N[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000826658182 600732360 /nfs/dbraw/zinc/73/23/60/600732360.db2.gz KNHOGECKACPKQO-MRXNPFEDSA-N -1 0 330.359 3.658 20 0 EHADRM O=C([O-])[C@H](Nc1ccc(OC(F)(F)F)cc1)c1ccccc1F ZINC000833171628 600736455 /nfs/dbraw/zinc/73/64/55/600736455.db2.gz ZMGVAXCKBFVPFR-CYBMUJFWSA-N -1 0 329.249 3.962 20 0 EHADRM Cc1cccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)n1 ZINC000832967188 600741030 /nfs/dbraw/zinc/74/10/30/600741030.db2.gz SCPWTGPRJMAMOM-CQSZACIVSA-N -1 0 325.195 3.612 20 0 EHADRM CCO[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(C(=O)[O-])cc2)C12CCCC2 ZINC000737158829 600743154 /nfs/dbraw/zinc/74/31/54/600743154.db2.gz SNTNVMGPUPYQIY-JKSUJKDBSA-N -1 0 346.427 3.586 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)NC2CCC(C(=O)[O-])CC2)C1 ZINC000263471212 600747475 /nfs/dbraw/zinc/74/74/75/600747475.db2.gz LJLJOIQMEDXFGR-QROZZAMVSA-N -1 0 348.418 3.562 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NC2CCC(C(=O)[O-])CC2)o1 ZINC000263492467 600748928 /nfs/dbraw/zinc/74/89/28/600748928.db2.gz ROXWJOCQRACBNB-KKOFPSKJSA-N -1 0 348.443 3.714 20 0 EHADRM Cc1ccnc(-c2cccc(N[C@H](C(=O)[O-])c3ccccc3F)c2)n1 ZINC000832983424 600750772 /nfs/dbraw/zinc/75/07/72/600750772.db2.gz VYNFNFNBDZCMND-KRWDZBQOSA-N -1 0 337.354 3.829 20 0 EHADRM CCO[C@@H]1C[C@H](OC(=O)c2cccc(NC(=O)[O-])c2)C12CCCC2 ZINC000737164443 600756061 /nfs/dbraw/zinc/75/60/61/600756061.db2.gz DTDVZUDWUSCACD-CABCVRRESA-N -1 0 333.384 3.671 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N[C@H](CC2CC2)c2ccccc2)cc1 ZINC000833144504 600763717 /nfs/dbraw/zinc/76/37/17/600763717.db2.gz SYPRPDOVJQVLSN-GOSISDBHSA-N -1 0 338.407 3.725 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1OC(=O)CN1CCc2ccccc21 ZINC000739295344 600767159 /nfs/dbraw/zinc/76/71/59/600767159.db2.gz RDACQFOGOMVJRK-UHFFFAOYSA-N -1 0 347.370 3.506 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)N2CCC3(C2)CCCCC3)cc1 ZINC000833288419 600774280 /nfs/dbraw/zinc/77/42/80/600774280.db2.gz XKSJPKCJDOTKOM-UHFFFAOYSA-N -1 0 345.443 3.685 20 0 EHADRM CC(C)(CC(=O)[O-])NC(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000736311156 600774391 /nfs/dbraw/zinc/77/43/91/600774391.db2.gz JYSHIQYNULFVGE-UHFFFAOYSA-N -1 0 344.845 3.508 20 0 EHADRM Cc1ccc(C(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)cc1C ZINC000237844240 600796717 /nfs/dbraw/zinc/79/67/17/600796717.db2.gz MZOJVMXADJEHPL-UHFFFAOYSA-N -1 0 347.361 3.699 20 0 EHADRM O=C([O-])c1ccc(S(=O)(=O)N(c2ccccc2)C2CCCCC2)o1 ZINC000740173221 600797178 /nfs/dbraw/zinc/79/71/78/600797178.db2.gz JVBOYODZUCNGCO-UHFFFAOYSA-N -1 0 349.408 3.506 20 0 EHADRM CCCCS[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000776673123 600799067 /nfs/dbraw/zinc/79/90/67/600799067.db2.gz MJDMMOVXONVJEP-RISCZKNCSA-N -1 0 343.876 3.894 20 0 EHADRM Cc1cccc2c(CC(=O)O[C@H](C(=O)[O-])c3ccc(F)cc3)c[nH]c21 ZINC000738747818 600805184 /nfs/dbraw/zinc/80/51/84/600805184.db2.gz LNGQFLKAKHDANA-SFHVURJKSA-N -1 0 341.338 3.527 20 0 EHADRM C[C@@H](CS[C@H](C)c1nc(-c2ccc(Cl)cc2)no1)C(=O)[O-] ZINC000827574707 600805266 /nfs/dbraw/zinc/80/52/66/600805266.db2.gz GAMOOILYNFIASI-DTWKUNHWSA-N -1 0 326.805 3.905 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)/C=C/c1ccccc1)c1cccc(Cl)c1 ZINC000776671400 600805361 /nfs/dbraw/zinc/80/53/61/600805361.db2.gz BMNHYHKSLUQVIX-ZNFPLGDCSA-N -1 0 329.783 3.685 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)/C=C/c1cccs1)c1cccc(Cl)c1 ZINC000776679649 600807095 /nfs/dbraw/zinc/80/70/95/600807095.db2.gz WPNHNTQROHUABL-PSKZRQQASA-N -1 0 335.812 3.747 20 0 EHADRM Cc1ccc2c(CCC(=O)N(C)c3ccccc3C(=O)[O-])c[nH]c2c1 ZINC000832959042 600807181 /nfs/dbraw/zinc/80/71/81/600807181.db2.gz AXLKNXWXYYPFHQ-UHFFFAOYSA-N -1 0 336.391 3.770 20 0 EHADRM Cc1cccc([C@@H](C)CNC(=O)Nc2cccc(C(=O)[O-])c2C)c1 ZINC000738690470 600809781 /nfs/dbraw/zinc/80/97/81/600809781.db2.gz KHRZJWCMPPTHPR-ZDUSSCGKSA-N -1 0 326.396 3.927 20 0 EHADRM C[C@H](NC(=S)N1C[C@@H](CC(=O)[O-])c2ccccc21)c1ccccc1 ZINC000736660567 600820012 /nfs/dbraw/zinc/82/00/12/600820012.db2.gz LLEFKKRUSAEVIV-DZGCQCFKSA-N -1 0 340.448 3.701 20 0 EHADRM Cc1ccccc1-c1noc([C@H](C)N2Cc3ccc(C(=O)[O-])cc3C2)n1 ZINC000659791128 600820377 /nfs/dbraw/zinc/82/03/77/600820377.db2.gz RASSLOQHLORPSC-ZDUSSCGKSA-N -1 0 349.390 3.820 20 0 EHADRM Cc1ccccc1-c1cnc(CN2Cc3ccc(C(=O)[O-])cc3C2)o1 ZINC000832974227 600827715 /nfs/dbraw/zinc/82/77/15/600827715.db2.gz HKWSEUZIVRICHT-UHFFFAOYSA-N -1 0 334.375 3.864 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)c(C(=O)[O-])c1 ZINC000544406897 600832577 /nfs/dbraw/zinc/83/25/77/600832577.db2.gz PZNZSCNSKYHOJX-RYUDHWBXSA-N -1 0 331.318 3.714 20 0 EHADRM O=C([O-])[C@@H](Sc1nc2cc(Cl)cnc2[nH]1)c1ccccc1F ZINC000833168845 600832562 /nfs/dbraw/zinc/83/25/62/600832562.db2.gz FEKRNYHAACOERL-NSHDSACASA-N -1 0 337.763 3.668 20 0 EHADRM O=C([O-])[C@H](Sc1nnc(CCC2CCCC2)[nH]1)c1ccccc1F ZINC000833168827 600836818 /nfs/dbraw/zinc/83/68/18/600836818.db2.gz FAZXCBMTMLEQID-OAHLLOKOSA-N -1 0 349.431 3.985 20 0 EHADRM O=C([O-])[C@@H](Sc1nccn1-c1ccccc1)c1ccccc1F ZINC000833168955 600837627 /nfs/dbraw/zinc/83/76/27/600837627.db2.gz GUKAIVDOLFIJDW-HNNXBMFYSA-N -1 0 328.368 3.929 20 0 EHADRM CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000179963017 600838936 /nfs/dbraw/zinc/83/89/36/600838936.db2.gz VCPANEHVNKXMDS-LSDHHAIUSA-N -1 0 337.847 3.968 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)C[C@H](C)c1ccccc1C(F)(F)F ZINC000236736747 600841527 /nfs/dbraw/zinc/84/15/27/600841527.db2.gz LRUHQPJBUMXHSS-LBPRGKRZSA-N -1 0 345.361 3.911 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000736622643 600846299 /nfs/dbraw/zinc/84/62/99/600846299.db2.gz SWLYHXBPMOURKR-HIFRSBDPSA-N -1 0 341.382 3.609 20 0 EHADRM O=C([O-])c1cccc(-c2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)c1 ZINC000833327039 600846378 /nfs/dbraw/zinc/84/63/78/600846378.db2.gz ZXQWQZWKZQRCEI-UHFFFAOYSA-N -1 0 334.253 3.719 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)CCCC2CCCC2)cc1 ZINC000675948891 600850230 /nfs/dbraw/zinc/85/02/30/600850230.db2.gz WXKGVCUPSLUJGI-KRWDZBQOSA-N -1 0 333.428 3.688 20 0 EHADRM CC(C)(C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21)c1ccc(F)cc1 ZINC000736225083 600852665 /nfs/dbraw/zinc/85/26/65/600852665.db2.gz VVDPHYSMABTENB-CYBMUJFWSA-N -1 0 341.382 3.708 20 0 EHADRM CSc1ccsc1C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000738208631 600856729 /nfs/dbraw/zinc/85/67/29/600856729.db2.gz ISJBDLPMCWAWFX-JTQLQIEISA-N -1 0 333.434 3.689 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)C[C@H]2CCc3ccccc3C2)c2ccccc21 ZINC000739640647 600857409 /nfs/dbraw/zinc/85/74/09/600857409.db2.gz FKGMXQUOHQXFMC-YJBOKZPZSA-N -1 0 349.430 3.787 20 0 EHADRM CC[C@H](NC(=O)c1ccc(C(=O)[O-])cc1)C(C)(C)c1ccccc1 ZINC000736916478 600864079 /nfs/dbraw/zinc/86/40/79/600864079.db2.gz HQFZWUXPFGMVHY-KRWDZBQOSA-N -1 0 325.408 3.871 20 0 EHADRM O=C([O-])c1ccoc1COc1cccc(NC(=O)c2ccccc2)c1 ZINC000833160259 600864758 /nfs/dbraw/zinc/86/47/58/600864758.db2.gz VYHYKFAMBVUNKG-UHFFFAOYSA-N -1 0 337.331 3.809 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)O[C@H](C(=O)[O-])c3ccccc3)c2c1 ZINC000832958601 600869600 /nfs/dbraw/zinc/86/96/00/600869600.db2.gz BOFNXFWONDIGAD-IBGZPJMESA-N -1 0 337.375 3.778 20 0 EHADRM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000326615776 600870911 /nfs/dbraw/zinc/87/09/11/600870911.db2.gz LCPUIOUEMVDFCX-HZPDHXFCSA-N -1 0 331.456 3.834 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1cccc(F)c1Cl)C(=O)[O-] ZINC000362527735 600871634 /nfs/dbraw/zinc/87/16/34/600871634.db2.gz FQBNMLWGCJYHCG-LBPRGKRZSA-N -1 0 349.789 3.842 20 0 EHADRM Cc1ncc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c(C(C)C)n1 ZINC000263229624 600883108 /nfs/dbraw/zinc/88/31/08/600883108.db2.gz BGXMBEXSAAHGEF-UHFFFAOYSA-N -1 0 341.411 3.523 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000192948845 600883379 /nfs/dbraw/zinc/88/33/79/600883379.db2.gz PURKYJYXILVCGS-XJKSGUPXSA-N -1 0 341.382 3.609 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000192948823 600883451 /nfs/dbraw/zinc/88/34/51/600883451.db2.gz PURKYJYXILVCGS-BBRMVZONSA-N -1 0 341.382 3.609 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])nc1)c1ccc(-c2ccccc2)cc1 ZINC000608557346 600903936 /nfs/dbraw/zinc/90/39/36/600903936.db2.gz QGQFZROYVCZEFU-UHFFFAOYSA-N -1 0 332.359 3.723 20 0 EHADRM Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000833011965 600904008 /nfs/dbraw/zinc/90/40/08/600904008.db2.gz UTFOJCQDTKKFPK-UHFFFAOYSA-N -1 0 341.392 3.501 20 0 EHADRM CN(CCCC(=O)N(C)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000830755748 600904163 /nfs/dbraw/zinc/90/41/63/600904163.db2.gz ADMTXYGCQMBTKR-UHFFFAOYSA-N -1 0 326.396 3.706 20 0 EHADRM C[C@H](CC(=O)N[C@H](C(=O)[O-])C(C)(C)C)c1ccccc1C(F)(F)F ZINC000675986072 600906391 /nfs/dbraw/zinc/90/63/91/600906391.db2.gz GVBQBZQBGYLBKJ-QMTHXVAHSA-N -1 0 345.361 3.815 20 0 EHADRM CCn1cc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c2ccccc21 ZINC000737298893 600908995 /nfs/dbraw/zinc/90/89/95/600908995.db2.gz GNDVTQQKEDVYBN-CQSZACIVSA-N -1 0 348.402 3.880 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N3C[C@@H](CC(=O)[O-])c4ccccc43)cc2c1 ZINC000738664715 600910587 /nfs/dbraw/zinc/91/05/87/600910587.db2.gz MGKWZVOECWZZOD-CQSZACIVSA-N -1 0 334.375 3.695 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000832777392 600911439 /nfs/dbraw/zinc/91/14/39/600911439.db2.gz KNCVEXFGQCPWBV-VHSXEESVSA-N -1 0 327.833 3.891 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)c2cc3cc(F)ccc3[nH]2)c2ccccc21 ZINC000739645867 600912386 /nfs/dbraw/zinc/91/23/86/600912386.db2.gz GDZARAPYAIBFPF-GFCCVEGCSA-N -1 0 338.338 3.526 20 0 EHADRM Cc1nc(-c2ccccc2)c(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])s1 ZINC000192890305 600924854 /nfs/dbraw/zinc/92/48/54/600924854.db2.gz VRWAJSQSWFBGSK-CQSZACIVSA-N -1 0 346.452 3.595 20 0 EHADRM CCC(CC)(NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000342573810 600928406 /nfs/dbraw/zinc/92/84/06/600928406.db2.gz SSGQQOPKOKDIRM-OLZOCXBDSA-N -1 0 344.238 3.857 20 0 EHADRM CC(C)(Cc1ccccc1Cl)NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000179999229 600929024 /nfs/dbraw/zinc/92/90/24/600929024.db2.gz QONJSDIEXKAYHZ-CHWSQXEVSA-N -1 0 337.847 3.668 20 0 EHADRM CN(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)[C@@H](c1ccccc1)C(F)(F)F ZINC000830456123 600930945 /nfs/dbraw/zinc/93/09/45/600930945.db2.gz CEXDJYLJNSRKBU-RDBSUJKOSA-N -1 0 343.345 3.639 20 0 EHADRM O=C([O-])c1ccc(Cl)cc1OC(=O)c1cnc2ccsc2c1 ZINC000833352870 600939857 /nfs/dbraw/zinc/93/98/57/600939857.db2.gz BNKUEVHPULUZRG-UHFFFAOYSA-N -1 0 333.752 3.867 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N(Cc2cscn2)c2ccccc2)C1 ZINC000833186554 600943099 /nfs/dbraw/zinc/94/30/99/600943099.db2.gz SIPGNULNBBJEOI-KBPBESRZSA-N -1 0 344.436 3.567 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccnc(Oc3ccccc3)c2)C1 ZINC000833188576 600948540 /nfs/dbraw/zinc/94/85/40/600948540.db2.gz ZKMVMTSVFTXVET-KBPBESRZSA-N -1 0 340.379 3.703 20 0 EHADRM CN(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1cc(Cl)cc(Cl)c1 ZINC000830464726 600952366 /nfs/dbraw/zinc/95/23/66/600952366.db2.gz LHPXWNLDBHTTFE-NXEZZACHSA-N -1 0 330.211 3.847 20 0 EHADRM O=C([O-])c1ccccc1OC(=O)c1cc(OCc2ccccc2)ccn1 ZINC000833354218 600964503 /nfs/dbraw/zinc/96/45/03/600964503.db2.gz OCXMGNSUVPUPQB-UHFFFAOYSA-N -1 0 349.342 3.578 20 0 EHADRM Cc1ccc(-c2nnc(CN3C[C@H](CC(=O)[O-])c4ccccc43)o2)cc1 ZINC000738490170 600965242 /nfs/dbraw/zinc/96/52/42/600965242.db2.gz JLVGECQJJXJYDB-HNNXBMFYSA-N -1 0 349.390 3.624 20 0 EHADRM Cc1cc(NC(=O)c2ccc(OC3CCC3)cc2)sc1C(=O)[O-] ZINC000832896411 600965997 /nfs/dbraw/zinc/96/59/97/600965997.db2.gz UGNKQBRYHKOMTF-UHFFFAOYSA-N -1 0 331.393 3.938 20 0 EHADRM Cc1c(Br)cccc1C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000088440172 600967861 /nfs/dbraw/zinc/96/78/61/600967861.db2.gz XVPXYNNUBLHIQP-UHFFFAOYSA-N -1 0 348.196 3.732 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000776595154 600968348 /nfs/dbraw/zinc/96/83/48/600968348.db2.gz FUZMRPSZPMBQHY-SKDZVZGDSA-N -1 0 345.439 3.648 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2CC(=O)Nc2ccsc2C(=O)[O-])o1 ZINC000738584132 600968919 /nfs/dbraw/zinc/96/89/19/600968919.db2.gz TYHLVTSDTVTTSJ-ZDUSSCGKSA-N -1 0 348.424 3.513 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1ccc(OC2CCC2)cc1 ZINC000833325602 600969231 /nfs/dbraw/zinc/96/92/31/600969231.db2.gz VMLMSLIMANPBLL-UHFFFAOYSA-N -1 0 337.375 3.519 20 0 EHADRM O=C([O-])c1c(NC(=O)CCC(F)(F)F)sc2c1CCCCC2 ZINC000833096607 600969793 /nfs/dbraw/zinc/96/97/93/600969793.db2.gz QKIVYIJRPYHAPV-UHFFFAOYSA-N -1 0 335.347 3.996 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1sccc1C(=O)[O-] ZINC000829009733 600971597 /nfs/dbraw/zinc/97/15/97/600971597.db2.gz NLAPEELUKMUTFS-LOWVWBTDSA-N -1 0 325.430 3.759 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000498644148 600979997 /nfs/dbraw/zinc/97/99/97/600979997.db2.gz RAMVULSIEGCWNN-HUUCEWRRSA-N -1 0 333.428 3.941 20 0 EHADRM O=Cc1ccc(OCc2csc(-c3cccc(C(=O)[O-])c3)n2)cc1 ZINC000740317126 600983406 /nfs/dbraw/zinc/98/34/06/600983406.db2.gz CKBRNOLKTKBWPA-UHFFFAOYSA-N -1 0 339.372 3.900 20 0 EHADRM Cc1cc(C(=O)[C@H](C)SC[C@@H](C)C(=O)[O-])c(C)n1Cc1ccco1 ZINC000738320284 600987058 /nfs/dbraw/zinc/98/70/58/600987058.db2.gz QYWJEUFMPUONHT-RISCZKNCSA-N -1 0 349.452 3.771 20 0 EHADRM O=C([O-])[C@H](Sc1nnc(C2CC2)s1)c1cccc(Cl)c1 ZINC000833169957 600989694 /nfs/dbraw/zinc/98/96/94/600989694.db2.gz NFLMXSGFNUBALQ-SNVBAGLBSA-N -1 0 326.830 3.987 20 0 EHADRM CC(=O)c1ccc(NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC000393096627 600992967 /nfs/dbraw/zinc/99/29/67/600992967.db2.gz ZJHYHGUPJIMJKM-UHFFFAOYSA-N -1 0 340.379 3.895 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000393012502 600994654 /nfs/dbraw/zinc/99/46/54/600994654.db2.gz HTHYLXMRLWUGCL-HNNXBMFYSA-N -1 0 347.459 3.545 20 0 EHADRM COc1ccc(NC(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000832399069 600995218 /nfs/dbraw/zinc/99/52/18/600995218.db2.gz XYSMZRSRVFCFJS-OAHLLOKOSA-N -1 0 348.786 3.686 20 0 EHADRM CCC[C@](C)(NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000236826424 601001032 /nfs/dbraw/zinc/00/10/32/601001032.db2.gz YJNIMBJHUSLLMS-WWGRRREGSA-N -1 0 344.238 3.857 20 0 EHADRM Cc1ccc(-c2ocnc2C(=O)Nc2cccc(NC(=O)[O-])c2)cc1 ZINC000738495737 601004392 /nfs/dbraw/zinc/00/43/92/601004392.db2.gz WDQICZGXBOLPJA-UHFFFAOYSA-N -1 0 337.335 3.992 20 0 EHADRM CCC(CC)c1cc(CNC(=O)Nc2cc(C(=O)[O-])ccc2F)on1 ZINC000828862510 601011771 /nfs/dbraw/zinc/01/17/71/601011771.db2.gz LSKYFVGLUHFANB-UHFFFAOYSA-N -1 0 349.362 3.737 20 0 EHADRM O=C([O-])C[C@H]1CN(Cc2cc3c(c(Cl)c2)OCO3)c2ccccc21 ZINC000325178432 601015107 /nfs/dbraw/zinc/01/51/07/601015107.db2.gz AYJFWPHUYLNNEA-LBPRGKRZSA-N -1 0 345.782 3.647 20 0 EHADRM C/C(=C\C(=O)Oc1ccccc1CC(=O)[O-])c1ccccc1Cl ZINC000736122067 601022295 /nfs/dbraw/zinc/02/22/95/601022295.db2.gz SFZRZKYAAIYTCR-ZRDIBKRKSA-N -1 0 330.767 3.976 20 0 EHADRM COc1ccc(CCC(=O)Oc2ccccc2CC(=O)[O-])cc1Cl ZINC000737986677 601023582 /nfs/dbraw/zinc/02/35/82/601023582.db2.gz GRBKTWGZZLCNAT-UHFFFAOYSA-N -1 0 348.782 3.514 20 0 EHADRM C[C@H](CC(=O)N(CCC(=O)[O-])c1cccc(F)c1)c1ccccc1F ZINC000736546016 601026083 /nfs/dbraw/zinc/02/60/83/601026083.db2.gz WHSZACMMSGLYNQ-CYBMUJFWSA-N -1 0 347.361 3.966 20 0 EHADRM CCCCS[C@H](C)C(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC000737000848 601028176 /nfs/dbraw/zinc/02/81/76/601028176.db2.gz FDLYXAOYFAVMTJ-GFCCVEGCSA-N -1 0 327.421 3.555 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000391664768 601029890 /nfs/dbraw/zinc/02/98/90/601029890.db2.gz MCEUNDIFHWHLAO-UONOGXRCSA-N -1 0 336.432 3.732 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)N[C@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000830514114 601030124 /nfs/dbraw/zinc/03/01/24/601030124.db2.gz NEZDGDZDNLXCMG-CVEARBPZSA-N -1 0 331.416 3.891 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(C)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237022750 601030720 /nfs/dbraw/zinc/03/07/20/601030720.db2.gz CXEKUBXRHRTRPR-IBGZPJMESA-N -1 0 339.435 3.797 20 0 EHADRM O=C([O-])c1cnc(N(C(=O)[C@H]2C[C@H]2C2CCCCC2)C2CC2)s1 ZINC000740252789 601040672 /nfs/dbraw/zinc/04/06/72/601040672.db2.gz FXAMHURDRLCGDO-STQMWFEESA-N -1 0 334.441 3.553 20 0 EHADRM CC(C)(C(=O)NCCCCCC(=O)[O-])c1ccc2ccccc2c1 ZINC000676211552 601051655 /nfs/dbraw/zinc/05/16/55/601051655.db2.gz RHQSLVJUZONDRJ-UHFFFAOYSA-N -1 0 327.424 3.879 20 0 EHADRM CCC[C@](C)(NC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000362517440 601056662 /nfs/dbraw/zinc/05/66/62/601056662.db2.gz ZSXMUOBPJCTIAJ-VFZGTOFNSA-N -1 0 332.227 3.857 20 0 EHADRM CC(C)c1cc(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])nn1C ZINC000236692952 601056899 /nfs/dbraw/zinc/05/68/99/601056899.db2.gz PDDNLVDFLWZNDQ-UHFFFAOYSA-N -1 0 337.379 3.647 20 0 EHADRM C[C@H](CN(C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1)C1CC1)C(=O)[O-] ZINC000262091839 601057624 /nfs/dbraw/zinc/05/76/24/601057624.db2.gz CSGBJGYHFLDTBU-ZJUUUORDSA-N -1 0 344.238 3.809 20 0 EHADRM Cc1cc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2F)c2ccccc2n1 ZINC000832868410 601058389 /nfs/dbraw/zinc/05/83/89/601058389.db2.gz LKSRLIHRMGCKFZ-QGZVFWFLSA-N -1 0 339.322 3.665 20 0 EHADRM C[C@H](CCOc1ccccc1)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000827417274 601060007 /nfs/dbraw/zinc/06/00/07/601060007.db2.gz AWDGFIBXJDCGMV-CYBMUJFWSA-N -1 0 328.368 3.820 20 0 EHADRM Cc1cc(C(=O)O[C@H](C(=O)[O-])c2ccccc2F)c(C)n1C(C)C ZINC000832869027 601060707 /nfs/dbraw/zinc/06/07/07/601060707.db2.gz WROOJLKBCRUXGM-INIZCTEOSA-N -1 0 333.359 3.808 20 0 EHADRM Cc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)o1 ZINC000832919075 601061265 /nfs/dbraw/zinc/06/12/65/601061265.db2.gz WFNVSLKOIUYJHT-GFCCVEGCSA-N -1 0 329.135 3.878 20 0 EHADRM C/C(=C\C(=O)NC(C)(C)CCC(=O)[O-])c1ccccc1C(F)(F)F ZINC000736120723 601061530 /nfs/dbraw/zinc/06/15/30/601061530.db2.gz JHHMLYYINJGKOS-ZHACJKMWSA-N -1 0 343.345 3.868 20 0 EHADRM Cc1c(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)cnn1-c1ccccc1C ZINC000237727282 601064566 /nfs/dbraw/zinc/06/45/66/601064566.db2.gz FPYRSIIBBPBJOL-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM Cc1ccc(NC(=O)c2cnc(-c3ccco3)s2)cc1C(=O)[O-] ZINC000237725893 601066365 /nfs/dbraw/zinc/06/63/65/601066365.db2.gz OIBKOQSORWVPFW-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM O=C([O-])[C@H](OC(=O)/C=C\c1ccc(Cl)s1)c1ccccc1F ZINC000833095637 601071124 /nfs/dbraw/zinc/07/11/24/601071124.db2.gz WHWIAVSSCMVDDC-IQCBXXCUSA-N -1 0 340.759 3.923 20 0 EHADRM Cc1occc1C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000833030392 601076014 /nfs/dbraw/zinc/07/60/14/601076014.db2.gz WOMSAWJOPHPHNM-LBPRGKRZSA-N -1 0 329.135 3.878 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cccc(-n2cccc2)c1)c1ccccc1F ZINC000833352195 601076274 /nfs/dbraw/zinc/07/62/74/601076274.db2.gz STHZEBMCHPHWQK-KRWDZBQOSA-N -1 0 339.322 3.599 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1cc2c(cccc2F)s1)c1ccccc1 ZINC000392223724 601078599 /nfs/dbraw/zinc/07/85/99/601078599.db2.gz UKNLWNVOWMDBDE-CYBMUJFWSA-N -1 0 343.379 3.639 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)[C@@H](C)C1 ZINC000325470579 601089882 /nfs/dbraw/zinc/08/98/82/601089882.db2.gz VJIQSFPNAVYHCY-WWGRRREGSA-N -1 0 332.444 3.995 20 0 EHADRM C[C@@H]1CCCC[C@H]1CNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000325268952 601091268 /nfs/dbraw/zinc/09/12/68/601091268.db2.gz GXCPXONXCRTAKR-KGLIPLIRSA-N -1 0 332.444 3.997 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1ccccc1Cl ZINC000833178349 601091457 /nfs/dbraw/zinc/09/14/57/601091457.db2.gz GVCFJJQXLODRGA-CJNGLKHVSA-N -1 0 335.831 3.836 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1cc2ccsc2[nH]1 ZINC000833178903 601094753 /nfs/dbraw/zinc/09/47/53/601094753.db2.gz KNBTXNUULUSSSN-UKRRQHHQSA-N -1 0 346.452 3.725 20 0 EHADRM C/C(=C\Cn1nc(C)nc1-c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000736121042 601099933 /nfs/dbraw/zinc/09/99/33/601099933.db2.gz IKRYGKGHAMTHHN-VMPITWQZSA-N -1 0 326.183 3.591 20 0 EHADRM O=C([O-])[C@@H](OC(=O)Cc1csc2ccccc12)c1ccccc1F ZINC000833119168 601112182 /nfs/dbraw/zinc/11/21/82/601112182.db2.gz BVMIKAILKPXCJV-KRWDZBQOSA-N -1 0 344.363 3.952 20 0 EHADRM Cc1c(NC(=O)c2c(F)c(F)cc(F)c2F)cccc1C(=O)[O-] ZINC000832857024 601126411 /nfs/dbraw/zinc/12/64/11/601126411.db2.gz YXHUHQNGNXXUNW-UHFFFAOYSA-N -1 0 327.233 3.502 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2cccc(N3CCCCCC3)c2)CCC1 ZINC000649539630 601131181 /nfs/dbraw/zinc/13/11/81/601131181.db2.gz BACKGFAZICDVGC-UHFFFAOYSA-N -1 0 345.443 3.586 20 0 EHADRM Cc1ccc(NC(=O)NCc2cccc3cccnc32)cc1C(=O)[O-] ZINC000327446824 601138561 /nfs/dbraw/zinc/13/85/61/601138561.db2.gz HURRQHVEUVQZQK-UHFFFAOYSA-N -1 0 335.363 3.563 20 0 EHADRM Cc1nc(C(C)(C)NC(=O)Nc2ccc(C)c(C(=O)[O-])c2)sc1C ZINC000832947018 601142747 /nfs/dbraw/zinc/14/27/47/601142747.db2.gz QVZGTJGTZALIAX-UHFFFAOYSA-N -1 0 347.440 3.823 20 0 EHADRM Cc1ccc(NC(=O)NC[C@H]2CCCO[C@@H]2C(C)(C)C)cc1C(=O)[O-] ZINC000832944843 601144345 /nfs/dbraw/zinc/14/43/45/601144345.db2.gz MDTMWTGNFAZSAQ-CJNGLKHVSA-N -1 0 348.443 3.656 20 0 EHADRM Cc1ccc(OCCN(C)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000832952064 601145649 /nfs/dbraw/zinc/14/56/49/601145649.db2.gz DPYPPDDZQLZZKX-UHFFFAOYSA-N -1 0 342.395 3.544 20 0 EHADRM O=C([O-])c1ccc(-c2csc(NC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000833308355 601146909 /nfs/dbraw/zinc/14/69/09/601146909.db2.gz OAMCGWHLPNNPRF-NHAGDIPZSA-N -1 0 342.420 3.883 20 0 EHADRM O=C([O-])c1sccc1NC(=O)c1cc(Cl)ccc1OC(F)F ZINC000833161684 601151389 /nfs/dbraw/zinc/15/13/89/601151389.db2.gz MQCKTOIMJWCRHJ-UHFFFAOYSA-N -1 0 347.726 3.953 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)OCc2cnc(-c3ccccc3)s2)C1 ZINC000833190202 601154826 /nfs/dbraw/zinc/15/48/26/601154826.db2.gz WOAKGHHRZVJRGF-KGLIPLIRSA-N -1 0 345.420 3.744 20 0 EHADRM O=C([O-])CN(C(=O)c1cccc(C(F)(F)F)c1F)c1ccccc1 ZINC000325628571 601158406 /nfs/dbraw/zinc/15/84/06/601158406.db2.gz UXNGQWGUEZOLPD-UHFFFAOYSA-N -1 0 341.260 3.576 20 0 EHADRM Cc1ccc(CCCC(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)s1 ZINC000832930954 601158813 /nfs/dbraw/zinc/15/88/13/601158813.db2.gz WFWNVNWUUZMVLD-AWEZNQCLSA-N -1 0 343.448 3.984 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N(c2ccccc2F)C2CCCC2)C1 ZINC000833183980 601160142 /nfs/dbraw/zinc/16/01/42/601160142.db2.gz BUQVTLWJELSFGC-ZIAGYGMSSA-N -1 0 333.403 3.992 20 0 EHADRM C[C@H](C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-])c1ccccc1F ZINC000362694698 601165885 /nfs/dbraw/zinc/16/58/85/601165885.db2.gz QAVPLDNJMZCWCV-GDZNZVCISA-N -1 0 329.371 3.507 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)/C=C\Sc1ccccc1)c1ccccc1 ZINC000826027030 601167376 /nfs/dbraw/zinc/16/73/76/601167376.db2.gz TZQJTVRSWVRMBR-BDANVTMASA-N -1 0 341.432 3.871 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000246531645 601169451 /nfs/dbraw/zinc/16/94/51/601169451.db2.gz AJEFGOSXBJIJSU-QWQRMKEZSA-N -1 0 343.398 3.583 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000828899918 601172517 /nfs/dbraw/zinc/17/25/17/601172517.db2.gz CITCYCFVATZOKH-WDYCEAGBSA-N -1 0 339.435 3.834 20 0 EHADRM CCc1[nH]c(C(=O)N2c3ccccc3SC[C@@H]2C)c(C)c1C(=O)[O-] ZINC000830193143 601174227 /nfs/dbraw/zinc/17/42/27/601174227.db2.gz VPXYPBMPPZOEOZ-JTQLQIEISA-N -1 0 344.436 3.725 20 0 EHADRM CCS[C@H]1CCC[C@H](NC(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000830158676 601189936 /nfs/dbraw/zinc/18/99/36/601189936.db2.gz ZFSPXMDYUYIXAG-KBPBESRZSA-N -1 0 336.457 3.879 20 0 EHADRM Cc1oc(-c2cccs2)nc1COC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833024398 601190496 /nfs/dbraw/zinc/19/04/96/601190496.db2.gz CXTPNBSHJYIWOK-VXGBXAGGSA-N -1 0 349.408 3.646 20 0 EHADRM CCCCO[C@H]1C[C@H](NC(=O)Nc2cccc(NC(=O)[O-])c2)C1(C)C ZINC000829413880 601191701 /nfs/dbraw/zinc/19/17/01/601191701.db2.gz ZFHWIZAJNFYDSS-GJZGRUSLSA-N -1 0 349.431 3.882 20 0 EHADRM CCS[C@@H]1CCC[C@H](NC(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000830158168 601192715 /nfs/dbraw/zinc/19/27/15/601192715.db2.gz SCXHZBUPJBEEAT-NWDGAFQWSA-N -1 0 340.420 3.710 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1Oc1ncnc2cccc(C)c21 ZINC000831977608 601209140 /nfs/dbraw/zinc/20/91/40/601209140.db2.gz TWVVBDOKCMLIRN-CLFYSBASSA-N -1 0 336.347 3.837 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000826038999 601247676 /nfs/dbraw/zinc/24/76/76/601247676.db2.gz KKWXHSXQVJCYMY-NHYWBVRUSA-N -1 0 332.787 3.924 20 0 EHADRM CC(C)[C@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000362498978 601271823 /nfs/dbraw/zinc/27/18/23/601271823.db2.gz MXAHYWGWXDERBT-HNNXBMFYSA-N -1 0 332.787 3.560 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000829014823 601276468 /nfs/dbraw/zinc/27/64/68/601276468.db2.gz RKMSPFPWXSWJCS-INIZCTEOSA-N -1 0 349.333 3.768 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000829014135 601276950 /nfs/dbraw/zinc/27/69/50/601276950.db2.gz DGBVNVATFDXWSD-MRXNPFEDSA-N -1 0 328.368 3.881 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C/C=C/c1ccc(F)cc1)c1ccc(F)cc1 ZINC000362441285 601278227 /nfs/dbraw/zinc/27/82/27/601278227.db2.gz QOZCYHMELJCJLP-WZHGYECESA-N -1 0 345.345 3.700 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C/C=C/c1cccc(F)c1)c1ccc(F)cc1 ZINC000362428255 601280602 /nfs/dbraw/zinc/28/06/02/601280602.db2.gz OFNOMGNVXDCZQG-NKEDHYFDSA-N -1 0 345.345 3.700 20 0 EHADRM CC(C)c1ccc(C(C)(C)NC(=O)c2ccnc(C(=O)[O-])c2)cc1 ZINC000827117732 601284381 /nfs/dbraw/zinc/28/43/81/601284381.db2.gz ILLZFAZMVOUNPN-UHFFFAOYSA-N -1 0 326.396 3.568 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000825793105 601287166 /nfs/dbraw/zinc/28/71/66/601287166.db2.gz MSKHXUGCGYDUFF-WVUXNXBLSA-N -1 0 339.366 3.834 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1ccc(C(=O)[O-])cn1 ZINC000191136833 601292066 /nfs/dbraw/zinc/29/20/66/601292066.db2.gz SRKDVOBAGQNEDM-NWDGAFQWSA-N -1 0 346.814 3.697 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)CCc1ccccc1Cl)c1ccccc1 ZINC000237607911 601296594 /nfs/dbraw/zinc/29/65/94/601296594.db2.gz MWJJRMNRKQFNJL-UGSOOPFHSA-N -1 0 345.826 3.851 20 0 EHADRM Cc1ccc(CCCC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000237604976 601297316 /nfs/dbraw/zinc/29/73/16/601297316.db2.gz XQMSMVSYBXPHHQ-JXFKEZNVSA-N -1 0 339.435 3.896 20 0 EHADRM Cc1ccc(CCCC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000237655357 601297371 /nfs/dbraw/zinc/29/73/71/601297371.db2.gz XQMSMVSYBXPHHQ-OXQOHEQNSA-N -1 0 339.435 3.896 20 0 EHADRM Cc1ccc(SCC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000237508313 601298129 /nfs/dbraw/zinc/29/81/29/601298129.db2.gz JKWKSGCQFUMRKQ-KBXCAEBGSA-N -1 0 343.448 3.665 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)CCCc1ccccc1)c1ccccc1 ZINC000237655484 601298979 /nfs/dbraw/zinc/29/89/79/601298979.db2.gz GJZQYONYBDCCCC-DNVCBOLYSA-N -1 0 325.408 3.588 20 0 EHADRM CCOc1cccc(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000830104866 601310447 /nfs/dbraw/zinc/31/04/47/601310447.db2.gz XGNLPOSHLIDBQS-INIZCTEOSA-N -1 0 346.358 3.562 20 0 EHADRM Cc1c(C(=O)Nc2cc(C(=O)[O-])n(C)c2)sc2cccc(F)c12 ZINC000832850371 601312067 /nfs/dbraw/zinc/31/20/67/601312067.db2.gz GOOLMAXWHVXJRC-UHFFFAOYSA-N -1 0 332.356 3.638 20 0 EHADRM Cn1cc(NC(=O)c2ccccc2SC(F)(F)F)cc1C(=O)[O-] ZINC000833051299 601314401 /nfs/dbraw/zinc/31/44/01/601314401.db2.gz SLKZYXSVAKQJEC-UHFFFAOYSA-N -1 0 344.314 3.588 20 0 EHADRM Cc1csc(C2(NC(=O)Nc3cccc(C(=O)[O-])c3C)CCC2)n1 ZINC000832989382 601334814 /nfs/dbraw/zinc/33/48/14/601334814.db2.gz YXYCDJGKGIEJQI-UHFFFAOYSA-N -1 0 345.424 3.659 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000828201578 601335480 /nfs/dbraw/zinc/33/54/80/601335480.db2.gz UQZDMPYAXPCJKG-KEYYUXOJSA-N -1 0 346.427 3.725 20 0 EHADRM C[C@@H](Nc1ccc(OCCC(=O)[O-])cc1)c1ncc(C(C)(C)C)o1 ZINC000827773489 601348296 /nfs/dbraw/zinc/34/82/96/601348296.db2.gz OAQBSYKQMNLVBK-GFCCVEGCSA-N -1 0 332.400 3.999 20 0 EHADRM O=C([O-])C1CCC(NC(=O)N2CC3(CCCC3)c3ccccc32)CC1 ZINC000263476296 601360694 /nfs/dbraw/zinc/36/06/94/601360694.db2.gz MRGUMMWKJJJJEW-UHFFFAOYSA-N -1 0 342.439 3.671 20 0 EHADRM CN(C(=O)c1cccc(C(=O)[O-])n1)C1c2ccccc2-c2ccccc21 ZINC000432124641 601374563 /nfs/dbraw/zinc/37/45/63/601374563.db2.gz LBOSSMLUMJWGER-UHFFFAOYSA-N -1 0 344.370 3.622 20 0 EHADRM O=C([O-])C1(CNc2nc(-c3cccnc3)nc3ccccc32)CCCC1 ZINC000833173507 601379454 /nfs/dbraw/zinc/37/94/54/601379454.db2.gz AUHVJAWDMISKSB-UHFFFAOYSA-N -1 0 348.406 3.749 20 0 EHADRM COc1ccc(NCc2cc(C(=O)[O-])oc2C)c(Br)c1 ZINC000832413451 601391587 /nfs/dbraw/zinc/39/15/87/601391587.db2.gz YIVGCJLDBZFIKM-UHFFFAOYSA-N -1 0 340.173 3.669 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000769515252 601391990 /nfs/dbraw/zinc/39/19/90/601391990.db2.gz DGFAYZIYQAPWJQ-KDOFPFPSSA-N -1 0 341.407 3.810 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000237175093 601392368 /nfs/dbraw/zinc/39/23/68/601392368.db2.gz VLHIAZVXPTUNFP-SWLSCSKDSA-N -1 0 347.436 3.583 20 0 EHADRM Cc1ccc2cc(C(=O)N[C@@H](c3ccccc3)[C@@H](C)C(=O)[O-])[nH]c2c1 ZINC000237679181 601394468 /nfs/dbraw/zinc/39/44/68/601394468.db2.gz BYHRVARUYSBNAT-FZKQIMNGSA-N -1 0 336.391 3.668 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CSc1n[nH]c(Cc2cccs2)n1 ZINC000830395254 601395321 /nfs/dbraw/zinc/39/53/21/601395321.db2.gz WRDJJNVMJIQFJE-UHFFFAOYSA-N -1 0 349.437 3.603 20 0 EHADRM C[C@H](C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])c1ccc(Cl)s1 ZINC000190733298 601396625 /nfs/dbraw/zinc/39/66/25/601396625.db2.gz VSJHXXGUVYCEOC-GXFFZTMASA-N -1 0 349.839 3.543 20 0 EHADRM C[C@@H](C(=O)N[C@H](C(=O)[O-])c1cccs1)c1ccc(Cl)s1 ZINC000825995124 601397451 /nfs/dbraw/zinc/39/74/51/601397451.db2.gz NACCKGOPIXIGLF-HQJQHLMTSA-N -1 0 329.830 3.509 20 0 EHADRM CCS[C@H]1CCCC[C@H]1NC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000830158360 601403731 /nfs/dbraw/zinc/40/37/31/601403731.db2.gz VLHLMKLIEZRKBL-HIFRSBDPSA-N -1 0 336.457 3.879 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN[C@H](c1ccccc1)c1ccccn1 ZINC000830374334 601411375 /nfs/dbraw/zinc/41/13/75/601411375.db2.gz BXOIQXATUJKLDR-LJQANCHMSA-N -1 0 336.391 3.814 20 0 EHADRM CN(Cc1cccc2ccccc21)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000830852602 601423771 /nfs/dbraw/zinc/42/37/71/601423771.db2.gz QRTSLHVVASQPOK-UHFFFAOYSA-N -1 0 340.423 3.626 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)Cc2coc3cc(F)ccc23)cc1 ZINC000833282270 601438250 /nfs/dbraw/zinc/43/82/50/601438250.db2.gz TZNKJTMXFJOOFO-UHFFFAOYSA-N -1 0 342.326 3.521 20 0 EHADRM Cc1nc(NC(=O)[C@@H](C)c2ccc(Cl)s2)sc1C(=O)[O-] ZINC000833002472 601441190 /nfs/dbraw/zinc/44/11/90/601441190.db2.gz AAZHLMAFDQYRRV-YFKPBYRVSA-N -1 0 330.818 3.607 20 0 EHADRM C[C@H](OC(=O)c1ccc(NC(=O)[O-])cc1)c1nc2ccccc2n1C ZINC000827862151 601448557 /nfs/dbraw/zinc/44/85/57/601448557.db2.gz WAOOJVHPHMXROM-NSHDSACASA-N -1 0 339.351 3.581 20 0 EHADRM Cc1[nH]c(C(=O)CSCc2cccc(F)c2F)c(C)c1C(=O)[O-] ZINC000832843170 601457603 /nfs/dbraw/zinc/45/76/03/601457603.db2.gz JFSVUJZVCVAKDE-UHFFFAOYSA-N -1 0 339.363 3.724 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H](C)Sc1ccccc1Cl ZINC000237017251 601464457 /nfs/dbraw/zinc/46/44/57/601464457.db2.gz JUJSBUNMNFVROK-BMIGLBTASA-N -1 0 329.849 3.580 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 ZINC000237109551 601469297 /nfs/dbraw/zinc/46/92/97/601469297.db2.gz JBSNPKGHIZMEBK-MEBBXXQBSA-N -1 0 329.849 3.580 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1oc2ccccc2c1CSC ZINC000767054438 601470209 /nfs/dbraw/zinc/47/02/09/601470209.db2.gz BLMFNXDQCARASP-KRWDZBQOSA-N -1 0 335.425 3.669 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C ZINC000237113514 601471277 /nfs/dbraw/zinc/47/12/77/601471277.db2.gz HFTYXRUWJJYUJM-IFXJQAMLSA-N -1 0 335.444 3.645 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000828652873 601472708 /nfs/dbraw/zinc/47/27/08/601472708.db2.gz TXESRQBYDXZKLS-ZDUSSCGKSA-N -1 0 335.256 3.923 20 0 EHADRM Cc1cccnc1C(=O)OCc1c2ccccc2sc1C(=O)[O-] ZINC000832983299 601473771 /nfs/dbraw/zinc/47/37/71/601473771.db2.gz BNFRCHNTMLSCGT-UHFFFAOYSA-N -1 0 327.361 3.660 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)Cc1ccc2ccccc2c1 ZINC000362682820 601476869 /nfs/dbraw/zinc/47/68/69/601476869.db2.gz GYSACTHANCYNMY-NRFANRHFSA-N -1 0 345.398 3.593 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000656601792 601485431 /nfs/dbraw/zinc/48/54/31/601485431.db2.gz LEBZRNMDXBQQBO-UHFFFAOYSA-N -1 0 334.416 3.583 20 0 EHADRM CSCc1cccc(NC(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC000594698258 601486078 /nfs/dbraw/zinc/48/60/78/601486078.db2.gz ZBDBBNNCOXDMSY-UHFFFAOYSA-N -1 0 336.457 3.658 20 0 EHADRM Cc1ccc(/C=C/CC(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000237796381 601498438 /nfs/dbraw/zinc/49/84/38/601498438.db2.gz KUPYYWPHBVDTIY-TXTHVTMNSA-N -1 0 329.421 3.792 20 0 EHADRM Cc1ccc(/C=C\CC(=O)Nc2cccc(OCC(=O)[O-])c2)cc1 ZINC000832929880 601499804 /nfs/dbraw/zinc/49/98/04/601499804.db2.gz SQHXXRIBOUHTKF-RQOWECAXSA-N -1 0 325.364 3.500 20 0 EHADRM C[C@@H]1CC/C(=C\C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC000828200968 601501631 /nfs/dbraw/zinc/50/16/31/601501631.db2.gz MOWRUJFNDSLEPK-YIXGCBLDSA-N -1 0 325.311 3.671 20 0 EHADRM C[C@@H](CC(=O)N[C@H](CC(=O)[O-])C1CC1)c1cccc(C(F)(F)F)c1 ZINC000767076029 601527927 /nfs/dbraw/zinc/52/79/27/601527927.db2.gz KVPFPQZYCPESJP-IINYFYTJSA-N -1 0 343.345 3.569 20 0 EHADRM CCN(C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1)c1ccc(F)cc1 ZINC000236799300 601528103 /nfs/dbraw/zinc/52/81/03/601528103.db2.gz HNNWMPCHGYMKBX-UHFFFAOYSA-N -1 0 345.370 3.573 20 0 EHADRM Cc1ccc2c(Cl)c(C(=O)N[C@@H](CC(=O)[O-])C3CC3)sc2c1 ZINC000832961581 601528502 /nfs/dbraw/zinc/52/85/02/601528502.db2.gz GTQXBNMAYKXVLN-NSHDSACASA-N -1 0 337.828 3.846 20 0 EHADRM Cc1cc(C(=O)N[C@H](CC(=O)[O-])C2CC2)sc1-c1ccc(F)cc1 ZINC000776630440 601538739 /nfs/dbraw/zinc/53/87/39/601538739.db2.gz VUFAANQLJXLFRA-CQSZACIVSA-N -1 0 347.411 3.846 20 0 EHADRM O=C([O-])c1ccc(NCc2cc(Cl)c3c(c2)OCCCO3)cc1 ZINC000390337119 601561616 /nfs/dbraw/zinc/56/16/16/601561616.db2.gz UMNXFHKFZFATPB-UHFFFAOYSA-N -1 0 333.771 3.812 20 0 EHADRM O=C([O-])c1sc(N2CC[C@@H](c3ccc(F)cc3)C2)nc1Cl ZINC000833345648 601563266 /nfs/dbraw/zinc/56/32/66/601563266.db2.gz BVPYAEUORYYDAE-SECBINFHSA-N -1 0 326.780 3.628 20 0 EHADRM C[C@H](CC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000538465480 601581358 /nfs/dbraw/zinc/58/13/58/601581358.db2.gz AZTLPENJGJYQNA-DIFFPNOSSA-N -1 0 349.789 3.915 20 0 EHADRM Cc1ccc(SCC(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000345772152 601581825 /nfs/dbraw/zinc/58/18/25/601581825.db2.gz IYBUTCBEEXBKMN-MRXNPFEDSA-N -1 0 349.839 3.683 20 0 EHADRM O=C([O-])[C@H](NC(=O)/C=C/Sc1ccccc1)c1ccc(Cl)cc1 ZINC000833092268 601584944 /nfs/dbraw/zinc/58/49/44/601584944.db2.gz ACBXEZRXNZXHGG-SIFUEBAJSA-N -1 0 347.823 3.888 20 0 EHADRM C[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1)c1cccc(F)c1 ZINC000537365655 601585915 /nfs/dbraw/zinc/58/59/15/601585915.db2.gz BONDPMXYGWLTGV-ZUZCIYMTSA-N -1 0 335.762 3.525 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000538467128 601586512 /nfs/dbraw/zinc/58/65/12/601586512.db2.gz YNEVRIUJLYAQKL-ZBEGNZNMSA-N -1 0 349.789 3.600 20 0 EHADRM C[C@H](C(=O)NCC1(C(=O)[O-])CCCC1)c1ccccc1C(F)(F)F ZINC000826005059 601598287 /nfs/dbraw/zinc/59/82/87/601598287.db2.gz RUHGLQXIINNRIU-NSHDSACASA-N -1 0 343.345 3.570 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000678982256 601598396 /nfs/dbraw/zinc/59/83/96/601598396.db2.gz LFFSBWRVTHVIQU-UHFFFAOYSA-N -1 0 341.860 3.827 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)OCc1cc2c(cccc2Cl)[nH]1 ZINC000826806049 601599565 /nfs/dbraw/zinc/59/95/65/601599565.db2.gz CQNQWDKSZQNEQX-CQSZACIVSA-N -1 0 338.791 3.547 20 0 EHADRM O=C([O-])C1(CNC(=O)c2cc(F)c(Cl)cc2Cl)CCCC1 ZINC000126940891 601600390 /nfs/dbraw/zinc/60/03/90/601600390.db2.gz IMTDOYFYYJAFMR-UHFFFAOYSA-N -1 0 334.174 3.507 20 0 EHADRM O=C([O-])Nc1cc(NCCCOCCc2ccccc2)ccc1F ZINC000833284131 601606435 /nfs/dbraw/zinc/60/64/35/601606435.db2.gz ZYUQDCDYAOEKOR-UHFFFAOYSA-N -1 0 332.375 3.977 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N[C@H](c3ccccc3)[C@H](C)C(=O)[O-])cc2c1 ZINC000531742963 601608510 /nfs/dbraw/zinc/60/85/10/601608510.db2.gz WZQMYOUSXIKMQS-UGSOOPFHSA-N -1 0 336.391 3.668 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000428100021 601613409 /nfs/dbraw/zinc/61/34/09/601613409.db2.gz FHUDJTNUESRLNS-UHFFFAOYSA-N -1 0 336.347 3.529 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000238098648 601613653 /nfs/dbraw/zinc/61/36/53/601613653.db2.gz WJKSPORGMGEJCF-UHFFFAOYSA-N -1 0 339.322 3.965 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)Nc2ccccc2CC(=O)[O-])ccc1Cl ZINC000237458112 601614312 /nfs/dbraw/zinc/61/43/12/601614312.db2.gz BZXROPOIONZJMH-GFCCVEGCSA-N -1 0 347.798 3.682 20 0 EHADRM CCOc1ccc(NC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000830085606 601614452 /nfs/dbraw/zinc/61/44/52/601614452.db2.gz ZCOZWCYVEPODEO-GUYCJALGSA-N -1 0 342.395 3.669 20 0 EHADRM Cc1nc(C2CCCC2)sc1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000237618988 601615141 /nfs/dbraw/zinc/61/51/41/601615141.db2.gz QSNCTHJLTLTXGI-UHFFFAOYSA-N -1 0 344.436 3.989 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)CCOc1ccc2ccccc2c1 ZINC000738630756 601616725 /nfs/dbraw/zinc/61/67/25/601616725.db2.gz VUSQTAFWSCAPRD-UHFFFAOYSA-N -1 0 349.386 3.875 20 0 EHADRM O=C([O-])C[C@H](NC(=O)/C=C\c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000776667273 601619151 /nfs/dbraw/zinc/61/91/51/601619151.db2.gz STNWZNXIWYPCDD-SGNXQUTQSA-N -1 0 347.773 3.825 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc2ccccn2c1)c1ccc(Cl)cc1 ZINC000538514763 601619968 /nfs/dbraw/zinc/61/99/68/601619968.db2.gz QRXLWEHOFRXXTD-INIZCTEOSA-N -1 0 342.782 3.539 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Nc1ccccc1SC(F)(F)F)C1CC1 ZINC000833199628 601620786 /nfs/dbraw/zinc/62/07/86/601620786.db2.gz VMJDXJMOMDEGSE-JTQLQIEISA-N -1 0 348.346 3.673 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc2[nH]ccc2c1)c1ccc(Cl)cc1 ZINC000345899409 601622128 /nfs/dbraw/zinc/62/21/28/601622128.db2.gz FOEZDTRVKBRIGP-INIZCTEOSA-N -1 0 342.782 3.767 20 0 EHADRM Cn1c(SCc2ccc(C(=O)[O-])c(F)c2)nnc1-c1ccccc1 ZINC000833039927 601622688 /nfs/dbraw/zinc/62/26/88/601622688.db2.gz VRSODCRFXRTURF-UHFFFAOYSA-N -1 0 343.383 3.612 20 0 EHADRM CC1(C)CO[C@H](c2ccccc2)CN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000575073445 601627625 /nfs/dbraw/zinc/62/76/25/601627625.db2.gz AITGLUIXJAFTJN-SFHVURJKSA-N -1 0 343.398 3.876 20 0 EHADRM Cc1c(F)cccc1NC(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832854485 601627813 /nfs/dbraw/zinc/62/78/13/601627813.db2.gz KORXZMUVCBUVGF-MLGOLLRUSA-N -1 0 330.359 3.718 20 0 EHADRM O=C([O-])[C@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000136523392 601629244 /nfs/dbraw/zinc/62/92/44/601629244.db2.gz GHPMMKFOMRMOQC-UHIISALHSA-N -1 0 342.222 3.563 20 0 EHADRM CC[C@H](C)C[S@@](=O)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000828747707 601636364 /nfs/dbraw/zinc/63/63/64/601636364.db2.gz TYDDVJDECFBKOU-KPWVOAKYSA-N -1 0 337.466 3.803 20 0 EHADRM CCCCC[C@@H](NC(=O)Cc1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000776661721 601638313 /nfs/dbraw/zinc/63/83/13/601638313.db2.gz OGIKZJDJAFFPPE-OAHLLOKOSA-N -1 0 346.452 3.502 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COc1ccc(NC(=O)C(C)C)cc1 ZINC000833031580 601643713 /nfs/dbraw/zinc/64/37/13/601643713.db2.gz PKKZOQYCVCXJBW-UHFFFAOYSA-N -1 0 333.409 3.928 20 0 EHADRM CCCCC[C@H](NC(=O)/C=C\c1cnc(C(C)(C)C)s1)C(=O)[O-] ZINC000776662772 601643793 /nfs/dbraw/zinc/64/37/93/601643793.db2.gz QBPPVVCASKVYCV-XPSMFNQNSA-N -1 0 338.473 3.604 20 0 EHADRM CN(Cc1nc(C(F)(F)F)cs1)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000582915876 601647680 /nfs/dbraw/zinc/64/76/80/601647680.db2.gz QHVXIXSZHHGSSX-UHFFFAOYSA-N -1 0 348.321 3.631 20 0 EHADRM CCCCC[C@H](NC(=O)CCc1c[nH]c2ccc(C)cc12)C(=O)[O-] ZINC000236643434 601647794 /nfs/dbraw/zinc/64/77/94/601647794.db2.gz LPYJQIBDDIYKCI-KRWDZBQOSA-N -1 0 330.428 3.559 20 0 EHADRM O=C([O-])C1(CNC(=O)CCSc2ccccc2Cl)CCCC1 ZINC000388552464 601649401 /nfs/dbraw/zinc/64/94/01/601649401.db2.gz WPVGGBSFPPMIFC-UHFFFAOYSA-N -1 0 341.860 3.583 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NCc1ncc(-c2cccs2)o1)c1ccccc1 ZINC000826055412 601654533 /nfs/dbraw/zinc/65/45/33/601654533.db2.gz ZXXRNSUUETVEAM-SJCJKPOMSA-N -1 0 342.420 3.955 20 0 EHADRM CC(C)C[C@@H](C)OCCC(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC000826759293 601658309 /nfs/dbraw/zinc/65/83/09/601658309.db2.gz CDENZHPFBDZHAV-CQSZACIVSA-N -1 0 333.428 3.505 20 0 EHADRM CCO[C@@H]1C[C@H](N(C)C(=O)c2cccc(NC(=O)[O-])c2)C1(CC)CC ZINC000829917830 601662831 /nfs/dbraw/zinc/66/28/31/601662831.db2.gz JGZIVTZNJPELLS-JKSUJKDBSA-N -1 0 348.443 3.832 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000238066786 601662940 /nfs/dbraw/zinc/66/29/40/601662940.db2.gz UNVMFBKXBVQCNQ-UHFFFAOYSA-N -1 0 345.782 3.569 20 0 EHADRM CC(C)C[C@@H](C)OCCC(=O)Oc1ccc(Cl)cc1C(=O)[O-] ZINC000826764327 601670873 /nfs/dbraw/zinc/67/08/73/601670873.db2.gz SVGZNKPDWBDODA-LLVKDONJSA-N -1 0 328.792 3.785 20 0 EHADRM CCC1(C(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)CCCC1 ZINC000829038686 601670980 /nfs/dbraw/zinc/67/09/80/601670980.db2.gz DDQHYEAFJDYLAU-UHFFFAOYSA-N -1 0 333.413 3.745 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000833289057 601674176 /nfs/dbraw/zinc/67/41/76/601674176.db2.gz DQLNHKRZECQOHB-JQWIXIFHSA-N -1 0 344.333 3.875 20 0 EHADRM Cc1nc(CC(C)C)c(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)s1 ZINC000621558059 601675866 /nfs/dbraw/zinc/67/58/66/601675866.db2.gz WXIAOQHKSODRCE-UHFFFAOYSA-N -1 0 344.436 3.504 20 0 EHADRM CC[C@H](NC(=O)c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)[O-] ZINC000237063928 601677628 /nfs/dbraw/zinc/67/76/28/601677628.db2.gz DAAYBKPOKXJMKR-INIZCTEOSA-N -1 0 347.798 3.512 20 0 EHADRM Cc1cc(C)c2nc(C3CC3)cc(C(=O)N(C)C[C@H](C)C(=O)[O-])c2c1 ZINC000190932928 601687485 /nfs/dbraw/zinc/68/74/85/601687485.db2.gz KGRNVULVUHOABG-ZDUSSCGKSA-N -1 0 340.423 3.522 20 0 EHADRM CSc1cc(C)ccc1CNC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237427884 601689362 /nfs/dbraw/zinc/68/93/62/601689362.db2.gz QVDYKVWYDUCSEE-UHFFFAOYSA-N -1 0 343.448 3.664 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N(CCC(F)(F)F)CC2CC2)cc1 ZINC000833286751 601695848 /nfs/dbraw/zinc/69/58/48/601695848.db2.gz VUMBTYBWUNVMNN-UHFFFAOYSA-N -1 0 345.321 3.973 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccc(F)cc1F ZINC000736649304 601697003 /nfs/dbraw/zinc/69/70/03/601697003.db2.gz QZEHTDSMASCIAX-MRVPVSSYSA-N -1 0 338.285 3.685 20 0 EHADRM Cc1sc(NC(=O)N2CC(Cc3ccccc3)C2)c(C(=O)[O-])c1C ZINC000833036445 601706327 /nfs/dbraw/zinc/70/63/27/601706327.db2.gz KVSNWDTWSMYFMQ-UHFFFAOYSA-N -1 0 344.436 3.770 20 0 EHADRM CC(C)(CNC(=O)c1ccc(Oc2ccc(F)cc2F)cc1)C(=O)[O-] ZINC000236718582 601712138 /nfs/dbraw/zinc/71/21/38/601712138.db2.gz JSUQXHQHVSWQKU-UHFFFAOYSA-N -1 0 349.333 3.598 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cnc(Cl)c(Cl)c2)cc1F ZINC000833353384 601720709 /nfs/dbraw/zinc/72/07/09/601720709.db2.gz SQWCXEQKUJQYPR-UHFFFAOYSA-N -1 0 344.125 3.583 20 0 EHADRM CC(C)c1cccc(OCC(=O)OCc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000827134049 601723212 /nfs/dbraw/zinc/72/32/12/601723212.db2.gz AKTMVHSEXMNWDY-UHFFFAOYSA-N -1 0 346.354 3.770 20 0 EHADRM O=C([O-])c1ccc(COC(=O)Cc2cc3ccccc3o2)cc1F ZINC000833117435 601725422 /nfs/dbraw/zinc/72/54/22/601725422.db2.gz UYDVEVJHNZFKDK-UHFFFAOYSA-N -1 0 328.295 3.556 20 0 EHADRM C/C(=C/C(=O)OCc1ccc(C(=O)[O-])c(F)c1)c1cccc(F)c1 ZINC000825724400 601728386 /nfs/dbraw/zinc/72/83/86/601728386.db2.gz NNAQYHDPONQYQV-XFFZJAGNSA-N -1 0 332.302 3.810 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)C[C@H](C)C(=O)c1ccccc1 ZINC000833031985 601729037 /nfs/dbraw/zinc/72/90/37/601729037.db2.gz RHKCSMXRKTUCMP-NSHDSACASA-N -1 0 346.404 3.707 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000825798740 601732647 /nfs/dbraw/zinc/73/26/47/601732647.db2.gz VXVWOAUGOYKYLB-DHZHZOJOSA-N -1 0 332.302 3.810 20 0 EHADRM CC1(C)CN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c2ccccc2S1 ZINC000828068744 601739498 /nfs/dbraw/zinc/73/94/98/601739498.db2.gz BJACQOYXEFXZAF-CHWSQXEVSA-N -1 0 333.453 3.795 20 0 EHADRM C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccccc1F)c1cccc(Cl)c1 ZINC000678987340 601742007 /nfs/dbraw/zinc/74/20/07/601742007.db2.gz SRZMDRBBIQROMW-MEBBXXQBSA-N -1 0 335.762 3.525 20 0 EHADRM O=C([O-])CCCc1csc(NC(=O)c2ccc(Cl)cc2F)n1 ZINC000388178134 601746330 /nfs/dbraw/zinc/74/63/30/601746330.db2.gz NJRLGFPIWIHECQ-UHFFFAOYSA-N -1 0 342.779 3.595 20 0 EHADRM CC[C@@H]1CC[C@H](C(=O)OCc2c3ccccc3sc2C(=O)[O-])O1 ZINC000829079810 601747681 /nfs/dbraw/zinc/74/76/81/601747681.db2.gz ACMALMAXUBBOTJ-ZWNOBZJWSA-N -1 0 334.393 3.600 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)Nc2ccccc2CCC(F)(F)F)C1 ZINC000263056786 601758877 /nfs/dbraw/zinc/75/88/77/601758877.db2.gz NZOFNRMEIGFAOA-GFCCVEGCSA-N -1 0 344.333 3.510 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccccc2-c2cccs2)C[C@@H]1C(=O)[O-] ZINC000828376830 601774963 /nfs/dbraw/zinc/77/49/63/601774963.db2.gz FQTPJTCFSSMLDA-YPMHNXCESA-N -1 0 330.409 3.600 20 0 EHADRM Cc1nn(CCCOc2cc(C)cc(C)c2)c(C)c1[C@@H](C)C(=O)[O-] ZINC000832879192 601778525 /nfs/dbraw/zinc/77/85/25/601778525.db2.gz YRODWGBWWYMGLE-CQSZACIVSA-N -1 0 330.428 3.774 20 0 EHADRM Cc1cc(CCCC(=O)N[C@H](C(=O)[O-])c2cccs2)c(C)s1 ZINC000448998899 601802411 /nfs/dbraw/zinc/80/24/11/601802411.db2.gz WNCCNFSYLSDMSP-HNNXBMFYSA-N -1 0 337.466 3.691 20 0 EHADRM C[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)[O-])c1ccc2ccccc2c1 ZINC000194925864 601803014 /nfs/dbraw/zinc/80/30/14/601803014.db2.gz IIVQVYYGBINGPA-MGPUTAFESA-N -1 0 347.414 3.755 20 0 EHADRM Cc1cc(CCCC(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c(C)s1 ZINC000192948509 601803177 /nfs/dbraw/zinc/80/31/77/601803177.db2.gz WDBQMTYORFPLMA-INIZCTEOSA-N -1 0 343.448 3.903 20 0 EHADRM O=C([O-])c1sccc1CSc1n[nH]c(-c2ccccc2F)n1 ZINC000833348538 601805362 /nfs/dbraw/zinc/80/53/62/601805362.db2.gz YYURWNDYHXHVPB-UHFFFAOYSA-N -1 0 335.385 3.663 20 0 EHADRM CC[C@H](CNC(=O)c1ccc(NC(=O)[O-])cc1)Oc1cccc(F)c1 ZINC000828883951 601805482 /nfs/dbraw/zinc/80/54/82/601805482.db2.gz LQNSKAQHWDVXFP-OAHLLOKOSA-N -1 0 346.358 3.503 20 0 EHADRM CC[C@@H](CNC(=O)c1ccc(NC(=O)[O-])cc1)Oc1cccc(F)c1 ZINC000828883950 601805530 /nfs/dbraw/zinc/80/55/30/601805530.db2.gz LQNSKAQHWDVXFP-HNNXBMFYSA-N -1 0 346.358 3.503 20 0 EHADRM O=C([O-])c1cccc(NCc2nnc(-c3ccc(Cl)cc3)o2)c1 ZINC000833331311 601805670 /nfs/dbraw/zinc/80/56/70/601805670.db2.gz AWEJCABNERGOHI-UHFFFAOYSA-N -1 0 329.743 3.700 20 0 EHADRM COc1ccccc1-c1nnc(SCc2ccsc2C(=O)[O-])o1 ZINC000832583123 601806983 /nfs/dbraw/zinc/80/69/83/601806983.db2.gz OZSSSOVDXBFRRA-UHFFFAOYSA-N -1 0 348.405 3.797 20 0 EHADRM Cc1cc(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])nn1C(C)(C)C ZINC000832867327 601810132 /nfs/dbraw/zinc/81/01/32/601810132.db2.gz MJKISEYGQTYYST-UHFFFAOYSA-N -1 0 347.440 3.836 20 0 EHADRM O=C([O-])c1c(C2CC2)csc1NC(=O)c1scnc1Cl ZINC000833163485 601810298 /nfs/dbraw/zinc/81/02/98/601810298.db2.gz ULAMFUFCCFMMPZ-UHFFFAOYSA-N -1 0 328.802 3.686 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)CCCCC(=O)c2ccccc2)CC1 ZINC000659771447 601817533 /nfs/dbraw/zinc/81/75/33/601817533.db2.gz CFMGKUJMFTVGTG-UHFFFAOYSA-N -1 0 345.439 3.533 20 0 EHADRM CCC(CC)[C@H](NC(=O)N1C[C@H](C)[C@H](C(=O)[O-])C1)c1cccs1 ZINC000828854566 601821711 /nfs/dbraw/zinc/82/17/11/601821711.db2.gz LFXZLDVYMBWKDF-LNSITVRQSA-N -1 0 338.473 3.588 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)Nc2cccc3ccccc32)CC1 ZINC000324447119 601838326 /nfs/dbraw/zinc/83/83/26/601838326.db2.gz URCGGEGBCCVLAF-UHFFFAOYSA-N -1 0 326.396 3.949 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)c2cncc(-c3ccccc3)c2)c1 ZINC000832183406 601846313 /nfs/dbraw/zinc/84/63/13/601846313.db2.gz XRUQLSXPZXQQOH-UHFFFAOYSA-N -1 0 349.342 3.675 20 0 EHADRM C[C@@H]1Cc2ccccc2N1C(=O)CSCc1ccc(C(=O)[O-])s1 ZINC000828515408 601847194 /nfs/dbraw/zinc/84/71/94/601847194.db2.gz CCSDLPSVZRKHJP-LLVKDONJSA-N -1 0 347.461 3.657 20 0 EHADRM CC(C)C[C@@H](C)N(C)C(=O)CSCc1ccc(C(=O)[O-])s1 ZINC000826759242 601847234 /nfs/dbraw/zinc/84/72/34/601847234.db2.gz BFLUJTPTFHETBB-LLVKDONJSA-N -1 0 329.487 3.573 20 0 EHADRM C[C@H](SCc1ccc(C(=O)[O-])s1)C(=O)Nc1cccc(F)c1 ZINC000827909268 601847253 /nfs/dbraw/zinc/84/72/53/601847253.db2.gz WATBCOUIFUVMGD-VIFPVBQESA-N -1 0 339.413 3.846 20 0 EHADRM Cc1ccc(-c2cncc(C(=O)NCCCCCCC(=O)[O-])c2)cc1 ZINC000769486249 601847565 /nfs/dbraw/zinc/84/75/65/601847565.db2.gz GTVSCFZPUBJFOP-UHFFFAOYSA-N -1 0 340.423 3.822 20 0 EHADRM C[C@@H](c1ccccc1)n1ccc(N[C@@H](C(=O)[O-])c2ccc(F)cc2)n1 ZINC000827951162 601854435 /nfs/dbraw/zinc/85/44/35/601854435.db2.gz VUUKNDSXDKWLMH-SCLBCKFNSA-N -1 0 339.370 3.869 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)N[C@H](CC2CC2)c2ccccc2)c1 ZINC000833144843 601883207 /nfs/dbraw/zinc/88/32/07/601883207.db2.gz IGBRNWUTJVWULX-GOSISDBHSA-N -1 0 338.407 3.725 20 0 EHADRM O=C([O-])c1ccc(CSc2nnc(CCC3CCCC3)[nH]2)s1 ZINC000833317158 601892052 /nfs/dbraw/zinc/89/20/52/601892052.db2.gz MHFBDKKJRNTWTH-UHFFFAOYSA-N -1 0 337.470 3.980 20 0 EHADRM CCC[C@H](NC(=O)[O-])C(=O)Nc1ccc(Oc2cccnc2)c(C)c1 ZINC000739323444 601904673 /nfs/dbraw/zinc/90/46/73/601904673.db2.gz VSNWYKLLLLLJCT-HNNXBMFYSA-N -1 0 343.383 3.557 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)C2CCC(NC(=O)[O-])CC2)cc1C ZINC000740116610 601911390 /nfs/dbraw/zinc/91/13/90/601911390.db2.gz BLNBPGROYSIPEI-VMWRSERWSA-N -1 0 344.455 3.793 20 0 EHADRM Cc1c2ccccc2oc1C(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000262208611 601916314 /nfs/dbraw/zinc/91/63/14/601916314.db2.gz VQPVTRZWJCENFY-LSDHHAIUSA-N -1 0 329.396 3.895 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)CSCc2cccc(Cl)c2)c1 ZINC000238135780 601923191 /nfs/dbraw/zinc/92/31/91/601923191.db2.gz QDMBTHZYUKYPLG-UHFFFAOYSA-N -1 0 349.839 3.588 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OCc1ccn(C2CCCC2)n1 ZINC000327512874 601955101 /nfs/dbraw/zinc/95/51/01/601955101.db2.gz MOQOBYYGKWRZPL-CLFYSBASSA-N -1 0 342.395 3.684 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000263465376 601983143 /nfs/dbraw/zinc/98/31/43/601983143.db2.gz GBACCGGOSVZJON-KRWDZBQOSA-N -1 0 338.835 3.793 20 0 EHADRM Cc1csc(NC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000832989196 601983778 /nfs/dbraw/zinc/98/37/78/601983778.db2.gz DNOGWCJVVVFVBW-UHFFFAOYSA-N -1 0 345.302 3.813 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@H]1CC12CCC2)c1ccc(Cl)cc1Cl ZINC000833170551 601984017 /nfs/dbraw/zinc/98/40/17/601984017.db2.gz QKCYJGWLWOLQAK-ZYHUDNBSSA-N -1 0 329.179 3.853 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cccc(Cl)c1F)c1ccc(F)cc1 ZINC000833200455 601990265 /nfs/dbraw/zinc/99/02/65/601990265.db2.gz OKPBXICRYQTFPR-CYBMUJFWSA-N -1 0 339.725 3.564 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000261734381 601992158 /nfs/dbraw/zinc/99/21/58/601992158.db2.gz SDMXUHQPJYXDRA-IBGZPJMESA-N -1 0 340.379 3.807 20 0 EHADRM O=C([O-])c1ccc(COC(=O)CCc2c[nH]c3ccccc23)s1 ZINC000833101165 601995750 /nfs/dbraw/zinc/99/57/50/601995750.db2.gz MGHFIPKWPINKGB-UHFFFAOYSA-N -1 0 329.377 3.604 20 0 EHADRM C[C@H](Oc1cccc(Cl)c1)C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000827895302 602000475 /nfs/dbraw/zinc/00/04/75/602000475.db2.gz HOUXHPKCRXBFJH-VIFPVBQESA-N -1 0 340.784 3.610 20 0 EHADRM Cc1ccc2c(Cl)c(C(=O)N3CC[C@@](C)(C(=O)[O-])C3)sc2c1 ZINC000823843156 602002369 /nfs/dbraw/zinc/00/23/69/602002369.db2.gz XSTTXXCEBMGSOM-MRXNPFEDSA-N -1 0 337.828 3.800 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000832993795 602003977 /nfs/dbraw/zinc/00/39/77/602003977.db2.gz DWZLEKBHQORVQD-UHFFFAOYSA-N -1 0 325.411 3.692 20 0 EHADRM Cc1cccc(NC(=O)N2CCCC[C@H]2[C@@H]2CCCN2C(=O)[O-])c1 ZINC000740172342 602004227 /nfs/dbraw/zinc/00/42/27/602004227.db2.gz XCNMVLXQJYUZSW-HOTGVXAUSA-N -1 0 331.416 3.524 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cccc(-c3cscn3)c2)s1 ZINC000833353656 602011820 /nfs/dbraw/zinc/01/18/20/602011820.db2.gz UVOQMZWHRDRXPG-UHFFFAOYSA-N -1 0 345.401 3.927 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)Nc1c(F)cccc1F ZINC000833149873 602025892 /nfs/dbraw/zinc/02/58/92/602025892.db2.gz AXQZASVWVCTWOB-GWCFXTLKSA-N -1 0 326.343 3.510 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)[C@@H]1C ZINC000828286722 602026338 /nfs/dbraw/zinc/02/63/38/602026338.db2.gz ZAXFPXPTOGXWCM-RKDXNWHRSA-N -1 0 330.306 3.666 20 0 EHADRM CC(C)[C@@H]1CCN(C(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000826735922 602031444 /nfs/dbraw/zinc/03/14/44/602031444.db2.gz JZCBEZSPKUAJNT-SNVBAGLBSA-N -1 0 344.333 3.913 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2[nH]c3ccccc3c2Cl)cn1 ZINC000740711249 602037088 /nfs/dbraw/zinc/03/70/88/602037088.db2.gz VBMDSWQFYTWCBV-UHFFFAOYSA-N -1 0 330.731 3.559 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)Nc1cc(F)c(F)cc1F ZINC000833152985 602039759 /nfs/dbraw/zinc/03/97/59/602039759.db2.gz IEUVBCXKEYLSDQ-RNCFNFMXSA-N -1 0 344.333 3.649 20 0 EHADRM O=C([O-])CCN(C(=O)/C=C/SCc1ccco1)c1cccc(F)c1 ZINC000833232496 602055077 /nfs/dbraw/zinc/05/50/77/602055077.db2.gz WXJWEBOZQHGOIO-JXMROGBWSA-N -1 0 349.383 3.674 20 0 EHADRM C[C@@H]1C[C@@H]1C(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC000828192370 602062765 /nfs/dbraw/zinc/06/27/65/602062765.db2.gz ODBUKRSMPHYAPG-DOMZBBRYSA-N -1 0 325.364 3.558 20 0 EHADRM Cc1ccc(C(=O)Nc2cccc(CC(=O)[O-])c2)cc1-n1cccc1 ZINC000738258814 602067674 /nfs/dbraw/zinc/06/76/74/602067674.db2.gz WKDQWPLMDLTYJG-UHFFFAOYSA-N -1 0 334.375 3.665 20 0 EHADRM C[C@H](Oc1ccc(-c2nc3cccc(Cl)c3n2C)cc1)C(=O)[O-] ZINC000827878709 602068625 /nfs/dbraw/zinc/06/86/25/602068625.db2.gz BYLPOMPVXHUDGO-JTQLQIEISA-N -1 0 330.771 3.746 20 0 EHADRM CC(C)(C(=O)Nc1cccc(CC(=O)[O-])c1)c1cccc(Cl)c1 ZINC000676210704 602074956 /nfs/dbraw/zinc/07/49/56/602074956.db2.gz QOWLSDWXCWDQHB-UHFFFAOYSA-N -1 0 331.799 3.883 20 0 EHADRM Cc1ncc(C(=O)O[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)s1 ZINC000833008348 602085059 /nfs/dbraw/zinc/08/50/59/602085059.db2.gz VTYLLFXWEKBQNH-NSHDSACASA-N -1 0 346.191 3.741 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)N[C@@H](c2ccccc2F)C2CCCC2)C1 ZINC000263284769 602088253 /nfs/dbraw/zinc/08/82/53/602088253.db2.gz UKBHFMHQKZSWLN-VQIMIIECSA-N -1 0 348.418 3.563 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@@H]1CCCS1)c1cc(Cl)cc(Cl)c1 ZINC000833348287 602088334 /nfs/dbraw/zinc/08/83/34/602088334.db2.gz RQMOKQVNTNKQMW-WDEREUQCSA-N -1 0 335.208 3.558 20 0 EHADRM CO[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccccc1Cl ZINC000831512034 602092030 /nfs/dbraw/zinc/09/20/30/602092030.db2.gz VJWKQVZKWGSION-HNNXBMFYSA-N -1 0 348.786 3.547 20 0 EHADRM CO[C@@H](CNC(=O)c1ccccc1NC(=O)[O-])c1ccccc1Cl ZINC000831519722 602092213 /nfs/dbraw/zinc/09/22/13/602092213.db2.gz QMSLZJULSDSFBJ-HNNXBMFYSA-N -1 0 348.786 3.547 20 0 EHADRM CN1CCCc2cc(NC(=O)NCCCCCCCC(=O)[O-])ccc21 ZINC000830946348 602093585 /nfs/dbraw/zinc/09/35/85/602093585.db2.gz KEBTYWXZCNBFOW-UHFFFAOYSA-N -1 0 347.459 3.616 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000402997449 602096138 /nfs/dbraw/zinc/09/61/38/602096138.db2.gz JRXBMZZYDPIJMJ-QGZVFWFLSA-N -1 0 332.444 3.611 20 0 EHADRM Cn1cccc1[C@H]1CCCCN1C(=O)NCCCCCCCC(=O)[O-] ZINC000833059670 602096906 /nfs/dbraw/zinc/09/69/06/602096906.db2.gz UXWHATNLDZZCIE-QGZVFWFLSA-N -1 0 349.475 3.687 20 0 EHADRM Cc1sc(NC(=O)[C@@H](C)CC(=O)[O-])nc1-c1cccc(Cl)c1 ZINC000833034066 602106738 /nfs/dbraw/zinc/10/67/38/602106738.db2.gz NSOKTYMNXSCJLP-QMMMGPOBSA-N -1 0 338.816 3.821 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1 ZINC000827309776 602109548 /nfs/dbraw/zinc/10/95/48/602109548.db2.gz DGIMFUPVEUSDMG-LBPRGKRZSA-N -1 0 336.407 3.644 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1ccn(C2CCCC2)n1)c1ccccc1 ZINC000828595248 602126618 /nfs/dbraw/zinc/12/66/18/602126618.db2.gz VEHSBQXCCVFPJB-QGZVFWFLSA-N -1 0 341.411 3.508 20 0 EHADRM O=C([O-])Nc1cc(NCc2nnc(-c3ccccc3)o2)ccc1F ZINC000833282473 602129177 /nfs/dbraw/zinc/12/91/77/602129177.db2.gz IDYLLZAJJBZOHM-UHFFFAOYSA-N -1 0 328.303 3.578 20 0 EHADRM CCc1oc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)cc1C ZINC000191081014 602144126 /nfs/dbraw/zinc/14/41/26/602144126.db2.gz LYUXJEOZOBIOMS-UHFFFAOYSA-N -1 0 331.368 3.646 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)Nc1ccc(-c2nc(C)cs2)cc1 ZINC000739230121 602149513 /nfs/dbraw/zinc/14/95/13/602149513.db2.gz IXAGWWBDXNXSOT-YGRLFVJLSA-N -1 0 347.440 3.739 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)NCc1ccccc1Sc1ccccc1 ZINC000827296756 602153095 /nfs/dbraw/zinc/15/30/95/602153095.db2.gz WCIGVZMSCVUCSS-ZDUSSCGKSA-N -1 0 329.421 3.565 20 0 EHADRM CCC[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000739301999 602170051 /nfs/dbraw/zinc/17/00/51/602170051.db2.gz CWIOSHMPYSSVAJ-SFHVURJKSA-N -1 0 340.423 3.847 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)CSc1nc2ccccc2o1 ZINC000740714576 602177865 /nfs/dbraw/zinc/17/78/65/602177865.db2.gz TWTUICJNLYUNDD-UHFFFAOYSA-N -1 0 343.364 3.649 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2ccc(Br)c(F)c2)c1 ZINC000191365198 602178684 /nfs/dbraw/zinc/17/86/84/602178684.db2.gz ZVBUTULCNNQKJJ-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)Cc1ccc(OC(F)F)cc1 ZINC000740713826 602178829 /nfs/dbraw/zinc/17/88/29/602178829.db2.gz AULCABFGGJVHGD-UHFFFAOYSA-N -1 0 336.294 3.559 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2sccc2Br)c1 ZINC000191353230 602180328 /nfs/dbraw/zinc/18/03/28/602180328.db2.gz MMSVLMYDQYTTPT-UHFFFAOYSA-N -1 0 332.200 3.523 20 0 EHADRM O=C([O-])c1csc(NC(=O)[C@H]2C[C@]23CCCc2ccccc23)c1 ZINC000565987738 602183091 /nfs/dbraw/zinc/18/30/91/602183091.db2.gz KWUVQCULYWBUAI-KDOFPFPSSA-N -1 0 327.405 3.679 20 0 EHADRM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000191384035 602184863 /nfs/dbraw/zinc/18/48/63/602184863.db2.gz GCYHBMGPEXQKNM-LLVKDONJSA-N -1 0 339.800 3.896 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)Cc2ccc3ccccc3c2)c1 ZINC000740676881 602202214 /nfs/dbraw/zinc/20/22/14/602202214.db2.gz WAEYPKWHAUZIDK-UHFFFAOYSA-N -1 0 334.375 3.789 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12)C(C)C ZINC000828951756 602227683 /nfs/dbraw/zinc/22/76/83/602227683.db2.gz QWUKNOAKVFBRTB-HNNXBMFYSA-N -1 0 344.411 3.859 20 0 EHADRM Cc1ccc(NC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1 ZINC000832945997 602234982 /nfs/dbraw/zinc/23/49/82/602234982.db2.gz CWUPXZDPESNNOU-MRXNPFEDSA-N -1 0 326.396 3.969 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)[C@@H]3CCCc4ccccc43)ccc21 ZINC000740471896 602241111 /nfs/dbraw/zinc/24/11/11/602241111.db2.gz OREVUISAQFCHMJ-QGZVFWFLSA-N -1 0 336.391 3.786 20 0 EHADRM Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)[C@H](C)NC(=O)[O-] ZINC000740089052 602254071 /nfs/dbraw/zinc/25/40/71/602254071.db2.gz LMMFOAZHJJVTAL-UONOGXRCSA-N -1 0 342.395 3.730 20 0 EHADRM Cc1cccc(CC(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)c1 ZINC000237934491 602261583 /nfs/dbraw/zinc/26/15/83/602261583.db2.gz FZGSPLAZQLHXNC-UHFFFAOYSA-N -1 0 349.386 3.793 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)Nc3ccc(F)cc3F)ccc21 ZINC000740471262 602271830 /nfs/dbraw/zinc/27/18/30/602271830.db2.gz VTOBWAOHIAGMBJ-UHFFFAOYSA-N -1 0 333.294 3.649 20 0 EHADRM CN(C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])C1CCCCCC1 ZINC000739573862 602279795 /nfs/dbraw/zinc/27/97/95/602279795.db2.gz BHVITKWVJIMWCV-UHFFFAOYSA-N -1 0 331.416 3.914 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])o1 ZINC000740113229 602280259 /nfs/dbraw/zinc/28/02/59/602280259.db2.gz KBFSSEYPQCRVKP-NSHDSACASA-N -1 0 329.356 3.511 20 0 EHADRM CC(C)Sc1ccccc1NC(=O)N1CCC(CC(=O)[O-])CC1 ZINC000827072597 602282060 /nfs/dbraw/zinc/28/20/60/602282060.db2.gz GJUASPWJBCISEL-UHFFFAOYSA-N -1 0 336.457 3.906 20 0 EHADRM O=C([O-])NCCCC(=O)NCc1ccccc1-c1ccc(Cl)cc1 ZINC000739956870 602292442 /nfs/dbraw/zinc/29/24/42/602292442.db2.gz NTULZNVHDRDUAS-UHFFFAOYSA-N -1 0 346.814 3.671 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1ccccc1OCC(F)F ZINC000830378932 602301163 /nfs/dbraw/zinc/30/11/63/602301163.db2.gz CBBFRUVCYQSTRL-UHFFFAOYSA-N -1 0 325.311 3.796 20 0 EHADRM Cc1ccc(NC(=O)CNc2ccc(C(=O)[O-])c(F)c2)cc1Cl ZINC000832943762 602303780 /nfs/dbraw/zinc/30/37/80/602303780.db2.gz HRLCUARQHRWVOM-UHFFFAOYSA-N -1 0 336.750 3.536 20 0 EHADRM O=C([O-])c1ccc(NCc2ncc(-c3cccc(F)c3)o2)cc1F ZINC000833320767 602305480 /nfs/dbraw/zinc/30/54/80/602305480.db2.gz HTARLSRQRMTYRP-UHFFFAOYSA-N -1 0 330.290 3.930 20 0 EHADRM C[C@H]1CC[C@@H](CC(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)C1 ZINC000828221018 602312208 /nfs/dbraw/zinc/31/22/08/602312208.db2.gz GPAJICDMRFGRQF-VHSXEESVSA-N -1 0 333.413 3.601 20 0 EHADRM CCC(CC)(CC)CNC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000828815378 602324990 /nfs/dbraw/zinc/32/49/90/602324990.db2.gz QIQOKYDWTVPIIY-UHFFFAOYSA-N -1 0 335.448 3.835 20 0 EHADRM Cc1ccccc1NC(=O)C1(c2ccccc2)CCN(C(=O)[O-])CC1 ZINC000740186622 602329119 /nfs/dbraw/zinc/32/91/19/602329119.db2.gz RJNAFGRLFGHUDU-UHFFFAOYSA-N -1 0 338.407 3.645 20 0 EHADRM C[C@@H](NC(=O)[C@@H](NC(=O)[O-])c1ccccc1)c1ccc(Cl)cc1 ZINC000739018771 602341878 /nfs/dbraw/zinc/34/18/78/602341878.db2.gz SWNUHQFFXZPWOG-ABAIWWIYSA-N -1 0 332.787 3.526 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)c1 ZINC000833289268 602342815 /nfs/dbraw/zinc/34/28/15/602342815.db2.gz QYSZKMRHKGZJBB-UHFFFAOYSA-N -1 0 341.298 3.823 20 0 EHADRM O=C([O-])NC1(C(=O)Nc2ccc(N3CCCCCC3)cc2)CCCC1 ZINC000740542891 602347456 /nfs/dbraw/zinc/34/74/56/602347456.db2.gz MPHFKVPKYFEBTM-UHFFFAOYSA-N -1 0 345.443 3.586 20 0 EHADRM C[C@@H](Sc1ccccn1)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])cc1 ZINC000827922249 602347421 /nfs/dbraw/zinc/34/74/21/602347421.db2.gz NTUOUNKXWZBWEU-NWDGAFQWSA-N -1 0 331.393 3.565 20 0 EHADRM CCCC1(C(=O)O[C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)CCC1 ZINC000829238676 602347497 /nfs/dbraw/zinc/34/74/97/602347497.db2.gz YVBAZBSCUGYAIK-ZDUSSCGKSA-N -1 0 347.411 3.534 20 0 EHADRM Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)c(C(=O)[O-])c1 ZINC000832948303 602352896 /nfs/dbraw/zinc/35/28/96/602352896.db2.gz YYCBWKKVMYSRPG-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(Cl)c3cccnc23)cc1F ZINC000761748607 602353429 /nfs/dbraw/zinc/35/34/29/602353429.db2.gz MIWDCSOYYJCGEK-UHFFFAOYSA-N -1 0 344.729 3.978 20 0 EHADRM O=C([O-])NC1CCC(C(=O)Nc2ccccc2SC(F)F)CC1 ZINC000740552985 602355432 /nfs/dbraw/zinc/35/54/32/602355432.db2.gz NOWCPNNSCKOXNG-UHFFFAOYSA-N -1 0 344.383 3.766 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)cc1F ZINC000767206126 602357396 /nfs/dbraw/zinc/35/73/96/602357396.db2.gz NGHLAPOOAJWEJL-WCQYABFASA-N -1 0 335.281 3.544 20 0 EHADRM Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000799243698 602359961 /nfs/dbraw/zinc/35/99/61/602359961.db2.gz VIRCWUXIVZLJQZ-UHFFFAOYSA-N -1 0 343.354 3.742 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCC(=O)c2ccc(Cl)cc2)cc1F ZINC000833096052 602360458 /nfs/dbraw/zinc/36/04/58/602360458.db2.gz GYMHSQHWCLDUHV-UHFFFAOYSA-N -1 0 349.745 3.779 20 0 EHADRM CC(C)c1ccc([C@H](CNC(=O)[C@@H]2CC=CCC2)NC(=O)[O-])cc1 ZINC000738879184 602360968 /nfs/dbraw/zinc/36/09/68/602360968.db2.gz UOKMDLUHBHJIIT-SJORKVTESA-N -1 0 330.428 3.591 20 0 EHADRM Cc1cccc(CN(CC(C)C)C(=O)Nc2cc(C(=O)[O-])n(C)c2)c1 ZINC000832968423 602373868 /nfs/dbraw/zinc/37/38/68/602373868.db2.gz WFAPBANECNACKM-UHFFFAOYSA-N -1 0 343.427 3.722 20 0 EHADRM CN(Cc1cccc(Cl)c1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000391566298 602375336 /nfs/dbraw/zinc/37/53/36/602375336.db2.gz AOSSXLVUGNNLQL-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1cc(F)ccc1F ZINC000827672595 602375749 /nfs/dbraw/zinc/37/57/49/602375749.db2.gz VEGLMWCEHPHHNK-QMMMGPOBSA-N -1 0 338.285 3.685 20 0 EHADRM Cc1cccc(C(C)(C)NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000832966354 602377337 /nfs/dbraw/zinc/37/73/37/602377337.db2.gz OCDCGNVSRISKRC-UHFFFAOYSA-N -1 0 330.359 3.889 20 0 EHADRM CC(C)CCN(CCC(C)C)C(=O)C1CCC(NC(=O)[O-])CC1 ZINC000738818171 602378533 /nfs/dbraw/zinc/37/85/33/602378533.db2.gz MADCXBBECKFAJM-UHFFFAOYSA-N -1 0 326.481 3.734 20 0 EHADRM CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000830158773 602378730 /nfs/dbraw/zinc/37/87/30/602378730.db2.gz ZWODNPNBSLIWDK-ZIAGYGMSSA-N -1 0 340.420 3.710 20 0 EHADRM CCN(C(=O)Nc1ccc(C(=O)[O-])c(F)c1)[C@H](C)c1cccnc1 ZINC000829598070 602389231 /nfs/dbraw/zinc/38/92/31/602389231.db2.gz YWNARRCBUGDZBD-LLVKDONJSA-N -1 0 331.347 3.534 20 0 EHADRM Cc1ccc(-c2cc(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)on2)cc1 ZINC000767206611 602393810 /nfs/dbraw/zinc/39/38/10/602393810.db2.gz ATHHMJWDYUZDOA-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccccc2N2CCCCC2)cc1F ZINC000833320632 602403384 /nfs/dbraw/zinc/40/33/84/602403384.db2.gz WOXTZLYRLGDSDS-UHFFFAOYSA-N -1 0 342.370 3.767 20 0 EHADRM CCC[C@@H](NC(=O)[O-])c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000739324079 602405765 /nfs/dbraw/zinc/40/57/65/602405765.db2.gz CDDADOAYWTXZBK-SNVBAGLBSA-N -1 0 329.278 3.864 20 0 EHADRM CCCc1cc(C(=O)N2CCC([C@@H](C)NC(=O)[O-])CC2)sc1C ZINC000739371778 602406974 /nfs/dbraw/zinc/40/69/74/602406974.db2.gz BYKLNRPKUVLHCB-LLVKDONJSA-N -1 0 338.473 3.517 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(CCn2ccc3ccccc32)n1 ZINC000738825518 602407215 /nfs/dbraw/zinc/40/72/15/602407215.db2.gz XENDAXNTUGPHJI-AWEZNQCLSA-N -1 0 342.399 3.622 20 0 EHADRM Cc1cccc(OCCc2nc([C@H](CC(C)C)NC(=O)[O-])no2)c1C ZINC000740172927 602407416 /nfs/dbraw/zinc/40/74/16/602407416.db2.gz JQFGOKNTKVPJKC-AWEZNQCLSA-N -1 0 347.415 3.663 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(Cc2cccc3cccnc32)n1 ZINC000738825248 602407798 /nfs/dbraw/zinc/40/77/98/602407798.db2.gz WCUVGOXWCVALBN-AWEZNQCLSA-N -1 0 340.383 3.563 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(-c2cc3cc(F)ccc3[nH]2)n1 ZINC000738816517 602410367 /nfs/dbraw/zinc/41/03/67/602410367.db2.gz LLHHSXZFQLKWAG-LBPRGKRZSA-N -1 0 332.335 3.712 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(-c2cccc(OC(F)F)c2)n1 ZINC000738816874 602410386 /nfs/dbraw/zinc/41/03/86/602410386.db2.gz NBMVYMDHSAYYTN-NSHDSACASA-N -1 0 341.314 3.693 20 0 EHADRM Cc1[nH]c2ccc(-c3nc(C4(NC(=O)[O-])CCCC4)no3)cc2c1C ZINC000740034027 602413365 /nfs/dbraw/zinc/41/33/65/602413365.db2.gz IZFDCAHVXVSBSN-UHFFFAOYSA-N -1 0 340.383 3.872 20 0 EHADRM CCN(Cc1cccs1)C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000739445921 602455153 /nfs/dbraw/zinc/45/51/53/602455153.db2.gz UWZKMPXFSXBWBP-MRXNPFEDSA-N -1 0 346.452 3.886 20 0 EHADRM CC(=O)c1ccc(NC(=O)CC[C@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000738591771 602455793 /nfs/dbraw/zinc/45/57/93/602455793.db2.gz RTOCJXRVTJZYLR-KRWDZBQOSA-N -1 0 340.379 3.617 20 0 EHADRM C[C@@H](C1CC1)N(C(=O)CC[C@H](NC(=O)[O-])c1ccccc1)C1CC1 ZINC000738890584 602457872 /nfs/dbraw/zinc/45/78/72/602457872.db2.gz MYKJCBYWUQMRSN-GUYCJALGSA-N -1 0 330.428 3.565 20 0 EHADRM O=C([O-])NC1(CNC(=O)c2cccc(C(F)F)c2)CCCCCC1 ZINC000740547461 602458825 /nfs/dbraw/zinc/45/88/25/602458825.db2.gz JZKQVYCHFINWPR-UHFFFAOYSA-N -1 0 340.370 3.715 20 0 EHADRM CCN(Cc1ccccc1NC(=O)c1ccc(N(C)C)cc1)C(=O)[O-] ZINC000739444340 602459973 /nfs/dbraw/zinc/45/99/73/602459973.db2.gz WVDTWXSYTWXVDA-UHFFFAOYSA-N -1 0 341.411 3.505 20 0 EHADRM CC(C)c1csc(NC(=O)CC[C@H](NC(=O)[O-])c2ccccc2)n1 ZINC000738880943 602462874 /nfs/dbraw/zinc/46/28/74/602462874.db2.gz YHPHFNBRHSYFJU-ZDUSSCGKSA-N -1 0 347.440 3.994 20 0 EHADRM C[C@H](Cc1ccsc1)NC(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000738945960 602463222 /nfs/dbraw/zinc/46/32/22/602463222.db2.gz CVFLTPYETLATGA-CJNGLKHVSA-N -1 0 346.452 3.584 20 0 EHADRM CN(C(=O)CC[C@H](NC(=O)[O-])c1ccccc1)c1ccccc1F ZINC000739573689 602470983 /nfs/dbraw/zinc/47/09/83/602470983.db2.gz LSJDYXRXRPLRNC-HNNXBMFYSA-N -1 0 330.359 3.578 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)N[C@H](c2ccccc2)C2CCC2)cc1 ZINC000740703772 602475760 /nfs/dbraw/zinc/47/57/60/602475760.db2.gz VIXUEACKRJQOPR-LJQANCHMSA-N -1 0 338.407 3.977 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2cnc3ccccc3c2)ccc1F ZINC000740698169 602482930 /nfs/dbraw/zinc/48/29/30/602482930.db2.gz MYGXVHWSJVGUCC-UHFFFAOYSA-N -1 0 325.299 3.716 20 0 EHADRM CCOc1ccc(N(CC)C(=O)c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000739507842 602483960 /nfs/dbraw/zinc/48/39/60/602483960.db2.gz RHFQQCINCFKBHA-UHFFFAOYSA-N -1 0 346.358 3.981 20 0 EHADRM CC(C)Oc1ccccc1CNC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000738868285 602485220 /nfs/dbraw/zinc/48/52/20/602485220.db2.gz PDDFCRGILCJCIF-UHFFFAOYSA-N -1 0 346.358 3.633 20 0 EHADRM O=C([O-])N1CCc2ccc(NC(=O)c3ccc4ncccc4c3)cc2C1 ZINC000740465381 602487553 /nfs/dbraw/zinc/48/75/53/602487553.db2.gz HLZPGYLSRKZGCV-UHFFFAOYSA-N -1 0 347.374 3.523 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CC[C@@H](c3ccccc3F)C2)cc1 ZINC000738661090 602489613 /nfs/dbraw/zinc/48/96/13/602489613.db2.gz JDRMYNAQWKSPSQ-CYBMUJFWSA-N -1 0 328.343 3.545 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2CC[C@@H](c3ccccc3F)C2)c1 ZINC000740026754 602489883 /nfs/dbraw/zinc/48/98/83/602489883.db2.gz BMHVJWASFFWFTA-CYBMUJFWSA-N -1 0 328.343 3.545 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CCC[C@@H]2Cc2ccccc2)ccc1F ZINC000740693372 602496018 /nfs/dbraw/zinc/49/60/18/602496018.db2.gz WSIITMUFCIWEEA-OAHLLOKOSA-N -1 0 342.370 3.763 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 ZINC000740709897 602499792 /nfs/dbraw/zinc/49/97/92/602499792.db2.gz UQTSCLWFKCRRHC-UHFFFAOYSA-N -1 0 336.347 3.947 20 0 EHADRM COc1ccc2c(CC(=O)Nc3ccc(NC(=O)[O-])cc3)coc2c1 ZINC000739935342 602500076 /nfs/dbraw/zinc/50/00/76/602500076.db2.gz NLDJGECHVBXUQM-UHFFFAOYSA-N -1 0 340.335 3.713 20 0 EHADRM CC1(C)Oc2ccc(NC(=O)c3ccc(F)c(NC(=O)[O-])c3)cc2O1 ZINC000739074002 602500803 /nfs/dbraw/zinc/50/08/03/602500803.db2.gz IEUNHTHUDDZVQI-UHFFFAOYSA-N -1 0 346.314 3.675 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c1 ZINC000740680326 602515581 /nfs/dbraw/zinc/51/55/81/602515581.db2.gz MDBIKIBRUKHCQU-UHFFFAOYSA-N -1 0 343.770 3.841 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)c2cccn2Cc2ccccc2)c1 ZINC000740680288 602515698 /nfs/dbraw/zinc/51/56/98/602515698.db2.gz KUUXIEDGOJTLGB-UHFFFAOYSA-N -1 0 349.390 3.556 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC000738662889 602522035 /nfs/dbraw/zinc/52/20/35/602522035.db2.gz YVJXLQFNXRQKMK-AWEZNQCLSA-N -1 0 328.343 3.545 20 0 EHADRM COc1ccc(NC(=O)c2ccc3[nH]ccc3c2)cc1NC(=O)[O-] ZINC000739922729 602569754 /nfs/dbraw/zinc/56/97/54/602569754.db2.gz CXXRCMSSPZIUKP-UHFFFAOYSA-N -1 0 325.324 3.519 20 0 EHADRM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000739582312 602580288 /nfs/dbraw/zinc/58/02/88/602580288.db2.gz DMNUEODLDRQDHV-SNVBAGLBSA-N -1 0 346.214 3.600 20 0 EHADRM Cc1cc(C)cc(NC(=O)N2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)c1 ZINC000740065647 602580855 /nfs/dbraw/zinc/58/08/55/602580855.db2.gz DMSLEOYLRBIJHN-WBVHZDCISA-N -1 0 345.443 3.690 20 0 EHADRM Cc1cccc2c1CC[C@@H]2NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738311812 602599368 /nfs/dbraw/zinc/59/93/68/602599368.db2.gz VZOCFMTZOYFMGO-INIZCTEOSA-N -1 0 325.368 3.894 20 0 EHADRM Cc1cccc2c1CC[C@H]2NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738311813 602599475 /nfs/dbraw/zinc/59/94/75/602599475.db2.gz VZOCFMTZOYFMGO-MRXNPFEDSA-N -1 0 325.368 3.894 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)cc1 ZINC000740710077 602601124 /nfs/dbraw/zinc/60/11/24/602601124.db2.gz JWENFYAUWYSJDN-CABCVRRESA-N -1 0 329.331 3.593 20 0 EHADRM Cc1cccc(OCCCNC(=O)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000740174250 602601703 /nfs/dbraw/zinc/60/17/03/602601703.db2.gz QHOWZUMQPVZEDR-UHFFFAOYSA-N -1 0 343.383 3.676 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N2CCC[C@H]2c2ccccn2)cc1 ZINC000740710620 602603685 /nfs/dbraw/zinc/60/36/85/602603685.db2.gz VTYZUVZHPOBWOB-HNNXBMFYSA-N -1 0 326.356 3.541 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)NCc3cccs3)ccc21 ZINC000740451224 602606417 /nfs/dbraw/zinc/60/64/17/602606417.db2.gz FFCHOURMJHGLDS-UHFFFAOYSA-N -1 0 331.397 3.500 20 0 EHADRM O=C([O-])N1CCc2ccc(NC(=O)N3CCC[C@@H]3C3CCC3)cc2C1 ZINC000740528996 602608944 /nfs/dbraw/zinc/60/89/44/602608944.db2.gz FUIHXILZVGRGLC-QGZVFWFLSA-N -1 0 343.427 3.519 20 0 EHADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000739313012 602640376 /nfs/dbraw/zinc/64/03/76/602640376.db2.gz LUSIMDHBNYYESQ-WBVHZDCISA-N -1 0 343.427 3.658 20 0 EHADRM O=C([O-])NCc1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000740675131 602645755 /nfs/dbraw/zinc/64/57/55/602645755.db2.gz IWYSJBVLRPDHBQ-UHFFFAOYSA-N -1 0 344.798 3.701 20 0 EHADRM CC(C)Oc1ccccc1C(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000738867364 602673655 /nfs/dbraw/zinc/67/36/55/602673655.db2.gz XKRMNNPMUADXTJ-UHFFFAOYSA-N -1 0 342.395 3.836 20 0 EHADRM C[C@@H](NC(=O)C1(NC(=O)[O-])CCCC1)c1csc2ccccc21 ZINC000738953279 602675917 /nfs/dbraw/zinc/67/59/17/602675917.db2.gz PACFDGBIAQYUJB-LLVKDONJSA-N -1 0 332.425 3.659 20 0 EHADRM CSC[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1NC(=O)[O-] ZINC000739996766 602685373 /nfs/dbraw/zinc/68/53/73/602685373.db2.gz GDJKTWQCTXEWQE-SSDOTTSWSA-N -1 0 336.335 3.733 20 0 EHADRM Cc1cnc(-c2cccc(NC(=O)c3cccc(NC(=O)[O-])c3)c2)o1 ZINC000738803522 602686104 /nfs/dbraw/zinc/68/61/04/602686104.db2.gz WNBUOZJYRGKSQJ-UHFFFAOYSA-N -1 0 337.335 3.992 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](NC(=O)CCCNC(=O)[O-])C(C)C ZINC000738289185 602689682 /nfs/dbraw/zinc/68/96/82/602689682.db2.gz MKSUVCLETQDHAR-INIZCTEOSA-N -1 0 332.400 3.602 20 0 EHADRM CCN(Cc1ccccc1NC(=O)c1ccc(SC)o1)C(=O)[O-] ZINC000739444791 602698927 /nfs/dbraw/zinc/69/89/27/602698927.db2.gz YEAQDPXZGYOYFW-UHFFFAOYSA-N -1 0 334.397 3.754 20 0 EHADRM Cc1ccccc1[C@@H](CC(C)C)NC(=O)C1CCN(C(=O)[O-])CC1 ZINC000738322857 602716013 /nfs/dbraw/zinc/71/60/13/602716013.db2.gz XMSCDOCSCLEUCX-QGZVFWFLSA-N -1 0 332.444 3.588 20 0 EHADRM COc1cc(COc2cccc(CNC(=O)[O-])c2)ccc1SC ZINC000739860331 602735542 /nfs/dbraw/zinc/73/55/42/602735542.db2.gz MUPDGVKSQIXAJV-UHFFFAOYSA-N -1 0 333.409 3.764 20 0 EHADRM O=C([O-])NC1(c2nc(-c3ccc4c(c3)OCCO4)cs2)CCCC1 ZINC000740547654 602744438 /nfs/dbraw/zinc/74/44/38/602744438.db2.gz JIIZHSJGXXUQEO-UHFFFAOYSA-N -1 0 346.408 3.618 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N[C@H]2CCOc3ccc(F)cc32)cc1 ZINC000738665002 602752907 /nfs/dbraw/zinc/75/29/07/602752907.db2.gz JGOJQKUGDVGUNB-AWEZNQCLSA-N -1 0 345.330 3.561 20 0 EHADRM CCOc1ccc([C@H]2CCCN2C(=O)CCC(C)(C)NC(=O)[O-])cc1 ZINC000739498847 602786139 /nfs/dbraw/zinc/78/61/39/602786139.db2.gz UFCJCBCZOMDGDO-MRXNPFEDSA-N -1 0 348.443 3.575 20 0 EHADRM CC(C)c1cnc(NC(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)s1 ZINC000738878892 602813120 /nfs/dbraw/zinc/81/31/20/602813120.db2.gz JAUVCDNABSGPPM-CYBMUJFWSA-N -1 0 347.440 3.994 20 0 EHADRM CC[C@H]1CN(C(=O)c2ccc(F)c(NC(=O)[O-])c2)c2ccccc2O1 ZINC000739278228 602813414 /nfs/dbraw/zinc/81/34/14/602813414.db2.gz JQDDMEPMZHQSQF-LBPRGKRZSA-N -1 0 344.342 3.733 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)N2CCC[C@H](CN(C)C(=O)[O-])C2)cc1 ZINC000739545090 602825773 /nfs/dbraw/zinc/82/57/73/602825773.db2.gz QACQQUAAGDYRIM-DOTOQJQBSA-N -1 0 346.471 3.591 20 0 EHADRM CCOc1cc(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])ccc1C ZINC000739487421 602842186 /nfs/dbraw/zinc/84/21/86/602842186.db2.gz PSHZESFULTWAOK-UHFFFAOYSA-N -1 0 340.379 3.687 20 0 EHADRM COc1cc(NC(=O)c2coc3ccccc23)ccc1NC(=O)[O-] ZINC000739869397 602842253 /nfs/dbraw/zinc/84/22/53/602842253.db2.gz LJCNNCCBIOVJJY-UHFFFAOYSA-N -1 0 326.308 3.784 20 0 EHADRM CCC[C@H](CC1CCCCC1)C(=O)N1CCC[C@H](CNC(=O)[O-])C1 ZINC000739305098 602845658 /nfs/dbraw/zinc/84/56/58/602845658.db2.gz LKOLRHNUTSFENJ-IAGOWNOFSA-N -1 0 338.492 3.879 20 0 EHADRM C[C@]1(c2ccccc2)CCCN(C(=O)c2ccc(NC(=O)[O-])cc2)C1 ZINC000736743516 602855218 /nfs/dbraw/zinc/85/52/18/602855218.db2.gz ZSKGBGMCEOHZBS-FQEVSTJZSA-N -1 0 338.407 3.970 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(C[C@@H]2CCc3ccccc32)n1 ZINC000738814185 602868429 /nfs/dbraw/zinc/86/84/29/602868429.db2.gz AHXPXUVAQBAQTH-ZFWWWQNUSA-N -1 0 329.400 3.697 20 0 EHADRM CC[C@H](NC(=O)Nc1cccc(CN(C)C(=O)[O-])c1)c1nccs1 ZINC000739263947 602903172 /nfs/dbraw/zinc/90/31/72/602903172.db2.gz GNMRIGMZUICXMA-ZDUSSCGKSA-N -1 0 348.428 3.526 20 0 EHADRM C[C@@H](CC(=O)N(Cc1ccco1)c1ccc(Cl)cc1)NC(=O)[O-] ZINC000824566229 602903801 /nfs/dbraw/zinc/90/38/01/602903801.db2.gz XLDNGYFYJJQTEL-NSHDSACASA-N -1 0 336.775 3.512 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000826633843 602905221 /nfs/dbraw/zinc/90/52/21/602905221.db2.gz XXURDAWYAOKWHE-COXVUDFISA-N -1 0 348.443 3.767 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)OC[C@@H]2CC2(Cl)Cl)c(Cl)c1 ZINC000740700822 602907442 /nfs/dbraw/zinc/90/74/42/602907442.db2.gz BLKKTJRXKIDFRC-LURJTMIESA-N -1 0 338.574 3.781 20 0 EHADRM CCc1ccccc1CNC(=O)Nc1ccc(OC)c(NC(=O)[O-])c1 ZINC000739549763 602913390 /nfs/dbraw/zinc/91/33/90/602913390.db2.gz YAWXRXPUEIBBFT-UHFFFAOYSA-N -1 0 343.383 3.669 20 0 EHADRM C[C@@H](OC(=O)CCC(C)(C)NC(=O)[O-])c1cnc2ccccc2c1 ZINC000739042274 602927364 /nfs/dbraw/zinc/92/73/64/602927364.db2.gz OIPIHPZTPUJOGF-GFCCVEGCSA-N -1 0 330.384 3.665 20 0 EHADRM CCSc1cccc(NC(=O)[C@H](CNC(=O)[O-])c2ccccc2)c1 ZINC000827509141 602936957 /nfs/dbraw/zinc/93/69/57/602936957.db2.gz ZBUNMDJSQPSENL-MRXNPFEDSA-N -1 0 344.436 3.789 20 0 EHADRM Cc1cccc(NC(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])c1C ZINC000740173235 602951350 /nfs/dbraw/zinc/95/13/50/602951350.db2.gz VBKCOTXBEIHPEI-UHFFFAOYSA-N -1 0 325.368 3.988 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)Oc2ccc(NC(=O)[O-])cc2)s1 ZINC000738238963 602957042 /nfs/dbraw/zinc/95/70/42/602957042.db2.gz DIFLYKXPACAIDI-UHFFFAOYSA-N -1 0 343.307 3.967 20 0 EHADRM CC1=NN(c2ccc(C(=O)Oc3ccc(NC(=O)[O-])cc3)cc2)CC1 ZINC000737746505 602966690 /nfs/dbraw/zinc/96/66/90/602966690.db2.gz WQUOQTDCZVYZHR-UHFFFAOYSA-N -1 0 339.351 3.582 20 0 EHADRM CC[C@H](NC(=O)c1ccc(CNC(=O)[O-])o1)C(C)(C)c1ccccc1 ZINC000826613665 602987317 /nfs/dbraw/zinc/98/73/17/602987317.db2.gz NZYVVILPTKRAHX-INIZCTEOSA-N -1 0 344.411 3.533 20 0 EHADRM Cc1ccc([C@H]2CCCCN2C(=O)C[C@H]2CCCN2C(=O)[O-])cc1 ZINC000830281744 602990462 /nfs/dbraw/zinc/99/04/62/602990462.db2.gz LAAKOKGSMZFGPT-IAGOWNOFSA-N -1 0 330.428 3.581 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)N1CCC[C@H](NC(=O)[O-])C1 ZINC000737607495 602993789 /nfs/dbraw/zinc/99/37/89/602993789.db2.gz ZCHLJLXJRUWZKK-AWEZNQCLSA-N -1 0 348.468 3.617 20 0 EHADRM O=C([O-])Nc1cc(C(=O)OCc2ccc3ncccc3c2)ccc1F ZINC000740696106 602996187 /nfs/dbraw/zinc/99/61/87/602996187.db2.gz YWLZUSRVFWORKB-UHFFFAOYSA-N -1 0 340.310 3.821 20 0 EHADRM CCC[C@@H](CC1CCCC1)C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000739301178 602998943 /nfs/dbraw/zinc/99/89/43/602998943.db2.gz APGYUTLHVWCXFW-XYTVBORESA-N -1 0 336.476 3.773 20 0 EHADRM CC(C)[C@@H](C(=O)NC[C@@H](NC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000824057435 603010617 /nfs/dbraw/zinc/01/06/17/603010617.db2.gz RJLDLUYONLMURL-QZTJIDSGSA-N -1 0 340.423 3.551 20 0 EHADRM CCN(C(=O)CNc1cc(NC(=O)[O-])ccc1F)C1CCCCC1 ZINC000739382800 603018741 /nfs/dbraw/zinc/01/87/41/603018741.db2.gz VZQMVHMOKUZLDW-UHFFFAOYSA-N -1 0 337.395 3.509 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc([C@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000738909767 603022647 /nfs/dbraw/zinc/02/26/47/603022647.db2.gz QIXNCTWMFIDXHR-KXUCPTDWSA-N -1 0 335.326 3.619 20 0 EHADRM C[C@@H](CNC(=O)Nc1cc(NC(=O)[O-])ccc1F)Oc1ccccc1 ZINC000738919756 603032504 /nfs/dbraw/zinc/03/25/04/603032504.db2.gz KIPPOSYQDFOZMK-NSHDSACASA-N -1 0 347.346 3.505 20 0 EHADRM CCOc1cccc(CNC(=O)Nc2cc(NC(=O)[O-])ccc2F)c1 ZINC000739507990 603035883 /nfs/dbraw/zinc/03/58/83/603035883.db2.gz LKEZMKNVBXAUKB-UHFFFAOYSA-N -1 0 347.346 3.636 20 0 EHADRM CC(C)Cc1nc(C(=O)Oc2ccc(N(C)C(=O)[O-])cc2)cs1 ZINC000824312256 603039090 /nfs/dbraw/zinc/03/90/90/603039090.db2.gz SHKUWRSELYSMLX-UHFFFAOYSA-N -1 0 334.397 3.675 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CNC(=O)Nc2cc(NC(=O)[O-])ccc2F)o1 ZINC000739089335 603039155 /nfs/dbraw/zinc/03/91/55/603039155.db2.gz JWVJGXAWXVTGJY-JOYOIKCWSA-N -1 0 347.346 3.954 20 0 EHADRM CCSc1cc(C(=O)Oc2ccc(N(C)C(=O)[O-])cc2)ccn1 ZINC000827509125 603039959 /nfs/dbraw/zinc/03/99/59/603039959.db2.gz YWFIWTUOCUBIGY-UHFFFAOYSA-N -1 0 332.381 3.527 20 0 EHADRM CC(C)c1ccc(OCC(=O)Oc2ccc(N(C)C(=O)[O-])cc2)cc1 ZINC000824471111 603042440 /nfs/dbraw/zinc/04/24/40/603042440.db2.gz XZOFLZPBCXKJSH-UHFFFAOYSA-N -1 0 343.379 3.909 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)C(C)(C)c2ccccc2F)cc1 ZINC000827900900 603047553 /nfs/dbraw/zinc/04/75/53/603047553.db2.gz RNZKIRMZUXELIU-UHFFFAOYSA-N -1 0 331.343 3.823 20 0 EHADRM COc1ccc(SCC(=O)Oc2ccc(N(C)C(=O)[O-])cc2)cc1 ZINC000829510367 603048839 /nfs/dbraw/zinc/04/88/39/603048839.db2.gz HFIZUXBNIDDZIC-UHFFFAOYSA-N -1 0 347.392 3.507 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NCCOC2CCCCCC2)cc1 ZINC000738664490 603067478 /nfs/dbraw/zinc/06/74/78/603067478.db2.gz GSVKUXSYYAGHSD-UHFFFAOYSA-N -1 0 335.404 3.637 20 0 EHADRM CO[C@H](CNC(=O)c1ccc(NC(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000828850019 603098131 /nfs/dbraw/zinc/09/81/31/603098131.db2.gz ZTBMDRIFWHMJGE-OAHLLOKOSA-N -1 0 348.786 3.547 20 0 EHADRM Cc1cc(C)cc(NC(=O)CNc2ccc([C@H](C)NC(=O)[O-])cc2)c1 ZINC000740065379 603103972 /nfs/dbraw/zinc/10/39/72/603103972.db2.gz ABKDCOIWJMVNRZ-AWEZNQCLSA-N -1 0 341.411 3.683 20 0 EHADRM CC[C@H]1CCCCCN1C(=O)Nc1cccc(OCCNC(=O)[O-])c1 ZINC000739271232 603138918 /nfs/dbraw/zinc/13/89/18/603138918.db2.gz OGKJARYMWHJXEZ-HNNXBMFYSA-N -1 0 349.431 3.520 20 0 EHADRM CC(C)CCN(C(=O)NC1CCC(NC(=O)[O-])CC1)C1CCCC1 ZINC000738818897 603153635 /nfs/dbraw/zinc/15/36/35/603153635.db2.gz QZOZLDUUHLZVMJ-UHFFFAOYSA-N -1 0 339.480 3.566 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)Nc2ccccc2SC(F)F)C1 ZINC000740563675 603155411 /nfs/dbraw/zinc/15/54/11/603155411.db2.gz JSXSIVPBXWLPBU-ZJUUUORDSA-N -1 0 344.383 3.766 20 0 EHADRM Cc1ccc(F)cc1NC(=O)[C@@H](C)Oc1ccc(NC(=O)[O-])cc1 ZINC000830333407 603157315 /nfs/dbraw/zinc/15/73/15/603157315.db2.gz WAYPNEZTFSIUQS-LLVKDONJSA-N -1 0 332.331 3.630 20 0 EHADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739060206 603164677 /nfs/dbraw/zinc/16/46/77/603164677.db2.gz WELYMHWFBPHYOJ-OSAQELSMSA-N -1 0 338.835 3.686 20 0 EHADRM COc1cc(CC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)ccc1C ZINC000829110136 603171904 /nfs/dbraw/zinc/17/19/04/603171904.db2.gz RZZYTFYJMLNWLU-ZDUSSCGKSA-N -1 0 342.395 3.513 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)s1 ZINC000823632215 603178004 /nfs/dbraw/zinc/17/80/04/603178004.db2.gz BUGUTLWTUUDKQN-SECBINFHSA-N -1 0 332.381 3.532 20 0 EHADRM Cc1cccc(C2(C(=O)Nc3ccc([C@@H](C)NC(=O)[O-])cc3)CC2)c1 ZINC000830494077 603178155 /nfs/dbraw/zinc/17/81/55/603178155.db2.gz XAUBFGRYLQVKLZ-CQSZACIVSA-N -1 0 338.407 3.994 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)Cc2cccc3cccnc32)cc1 ZINC000825423385 603178526 /nfs/dbraw/zinc/17/85/26/603178526.db2.gz PQBWQVSOWBKEQC-ZDUSSCGKSA-N -1 0 349.390 3.745 20 0 EHADRM Cc1ccccc1C[C@@H]1CCCN1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000738769256 603185231 /nfs/dbraw/zinc/18/52/31/603185231.db2.gz QXOUUEFVAASOTE-SFHVURJKSA-N -1 0 338.407 3.932 20 0 EHADRM CCOc1cccc(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)c1 ZINC000827448255 603187181 /nfs/dbraw/zinc/18/71/81/603187181.db2.gz KVUWWJXFVXXAOZ-GFCCVEGCSA-N -1 0 328.368 3.666 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2c(F)cc(F)cc2F)cc1 ZINC000825443166 603196286 /nfs/dbraw/zinc/19/62/86/603196286.db2.gz ZGVAMKDRMQNSFS-MRVPVSSYSA-N -1 0 338.285 3.685 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)OCc2nc3ccccc3[nH]2)c(Cl)c1 ZINC000740701613 603202355 /nfs/dbraw/zinc/20/23/55/603202355.db2.gz GVCBDLQQLJBIBX-UHFFFAOYSA-N -1 0 345.742 3.663 20 0 EHADRM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739050617 603214175 /nfs/dbraw/zinc/21/41/75/603214175.db2.gz BDIUQBNOIGYMIM-NXEZZACHSA-N -1 0 345.226 3.513 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823716056 603216178 /nfs/dbraw/zinc/21/61/78/603216178.db2.gz WGVVXULLVCRZBQ-MEBBXXQBSA-N -1 0 334.322 3.548 20 0 EHADRM COc1ccc(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)cc1F ZINC000739918228 603223056 /nfs/dbraw/zinc/22/30/56/603223056.db2.gz BHNXOSFVFNJACU-UHFFFAOYSA-N -1 0 338.722 3.830 20 0 EHADRM Cc1ccc(C(=O)NCCCSc2ccccc2)cc1NC(=O)[O-] ZINC000830216882 603229852 /nfs/dbraw/zinc/22/98/52/603229852.db2.gz NASDKXZGQIOSEI-UHFFFAOYSA-N -1 0 344.436 3.997 20 0 EHADRM CC(C)(C)c1ncc(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)cn1 ZINC000738726498 603231232 /nfs/dbraw/zinc/23/12/32/603231232.db2.gz NXURRSSFCUPTBB-UHFFFAOYSA-N -1 0 348.790 3.770 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NCc2ccc(-c3cccnc3)cc2)cc1 ZINC000832832708 603232856 /nfs/dbraw/zinc/23/28/56/603232856.db2.gz BJSVSMFGCNDBJV-UHFFFAOYSA-N -1 0 347.374 3.769 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-] ZINC000823859410 603250655 /nfs/dbraw/zinc/25/06/55/603250655.db2.gz OLSBPLSECXCTNQ-GXTWGEPZSA-N -1 0 333.432 3.542 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[O-] ZINC000823859342 603250784 /nfs/dbraw/zinc/25/07/84/603250784.db2.gz MHCDLXLVXXRLCE-UKRRQHHQSA-N -1 0 347.459 3.932 20 0 EHADRM CCOc1ccc(NC(=O)[C@H](NC(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000739508715 603262068 /nfs/dbraw/zinc/26/20/68/603262068.db2.gz XTFPHPJHFSVWEX-OAHLLOKOSA-N -1 0 348.786 3.686 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)Nc2ccc3c4c(cccc42)CC3)o1 ZINC000832705526 603265490 /nfs/dbraw/zinc/26/54/90/603265490.db2.gz LXASVVYAQRYHMR-UHFFFAOYSA-N -1 0 336.347 3.551 20 0 EHADRM Cc1ccc([C@H]2CCCCN2C(=O)CC2CCN(C(=O)[O-])CC2)cc1 ZINC000740118257 603277286 /nfs/dbraw/zinc/27/72/86/603277286.db2.gz OCEZULUDDLDNAA-GOSISDBHSA-N -1 0 344.455 3.829 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1)NC(=O)[O-] ZINC000824615218 603297509 /nfs/dbraw/zinc/29/75/09/603297509.db2.gz RUWAMFRLRXKMEA-SJCJKPOMSA-N -1 0 346.814 3.592 20 0 EHADRM O=C([O-])N1CCCN(C(=O)CCc2ccc(F)cc2)c2ccccc21 ZINC000740516195 603299032 /nfs/dbraw/zinc/29/90/32/603299032.db2.gz MUCBHMAQSBIFQB-UHFFFAOYSA-N -1 0 342.370 3.680 20 0 EHADRM CCO[C@H](C)c1nc(COc2cccc(CNC(=O)[O-])c2)cs1 ZINC000739485944 603303007 /nfs/dbraw/zinc/30/30/07/603303007.db2.gz ZXLJVIZNMBICOW-LLVKDONJSA-N -1 0 336.413 3.587 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)N2CCC(C3CCCC3)CC2)c1 ZINC000832724888 603319542 /nfs/dbraw/zinc/31/95/42/603319542.db2.gz RHVREPLWZVKHJB-UHFFFAOYSA-N -1 0 345.443 3.888 20 0 EHADRM CCC[C@H](NC(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccccn1 ZINC000739306545 603320435 /nfs/dbraw/zinc/32/04/35/603320435.db2.gz XWUOQNUHXVACKZ-INIZCTEOSA-N -1 0 342.399 3.512 20 0 EHADRM CC[C@H](NC(=O)c1ccc(C)c(NC(=O)[O-])c1)c1ccccc1OC ZINC000826613735 603320881 /nfs/dbraw/zinc/32/08/81/603320881.db2.gz QEQBLQRKTPURBN-HNNXBMFYSA-N -1 0 342.395 3.975 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc(CNC(=O)[O-])c1)c1cc(F)ccc1F ZINC000738988944 603323287 /nfs/dbraw/zinc/32/32/87/603323287.db2.gz PYSRCWDJZHYSCP-SNVBAGLBSA-N -1 0 349.337 3.615 20 0 EHADRM C[C@H]1CCC[C@H](C)N(C(=O)Nc2ccccc2CN(C)C(=O)[O-])C1 ZINC000825889301 603327279 /nfs/dbraw/zinc/32/72/79/603327279.db2.gz WIVHQVRYPUXQRL-KBPBESRZSA-N -1 0 333.432 3.839 20 0 EHADRM CC(C)(CNC(=O)Nc1cccc(CNC(=O)[O-])c1)c1cccs1 ZINC000738751697 603330151 /nfs/dbraw/zinc/33/01/51/603330151.db2.gz YXUFZQLJKZFOJG-UHFFFAOYSA-N -1 0 347.440 3.615 20 0 EHADRM Cc1ccc(CN(C(=O)Nc2cccc(CNC(=O)[O-])c2)C2CC2)o1 ZINC000740123562 603330978 /nfs/dbraw/zinc/33/09/78/603330978.db2.gz WLSAQWLLQLVSSU-UHFFFAOYSA-N -1 0 343.383 3.552 20 0 EHADRM C[C@@H]1CCC[C@H](C)CN1C(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000825887999 603336374 /nfs/dbraw/zinc/33/63/74/603336374.db2.gz NHCGDSUFBLIWLJ-UONOGXRCSA-N -1 0 333.432 3.839 20 0 EHADRM Cc1ccccc1CN(C)C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000740185939 603337107 /nfs/dbraw/zinc/33/71/07/603337107.db2.gz YVCAZDGEEMDNTH-UHFFFAOYSA-N -1 0 341.411 3.769 20 0 EHADRM CCN(Cc1cccc(NC(=O)N2CCC[C@H]2C2CC2)c1)C(=O)[O-] ZINC000739440949 603342229 /nfs/dbraw/zinc/34/22/29/603342229.db2.gz BVHBVWJGYLODST-INIZCTEOSA-N -1 0 331.416 3.593 20 0 EHADRM C[C@@H](C(=O)Nc1ccc2ccccc2n1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823716144 603342530 /nfs/dbraw/zinc/34/25/30/603342530.db2.gz XOZFHYKFTJFMDW-ACJLOTCBSA-N -1 0 349.390 3.818 20 0 EHADRM CN(Cc1cccc(NC(=O)N(C)Cc2cccs2)c1)C(=O)[O-] ZINC000739707549 603357692 /nfs/dbraw/zinc/35/76/92/603357692.db2.gz USMVOJRRNHHQAY-UHFFFAOYSA-N -1 0 333.413 3.522 20 0 EHADRM C[C@H](CCc1ccco1)NC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000824816632 603363437 /nfs/dbraw/zinc/36/34/37/603363437.db2.gz LBHCKCFOWVXQGM-OLZOCXBDSA-N -1 0 345.399 3.751 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N2CCc3ccccc3C2)cc1 ZINC000825427884 603364214 /nfs/dbraw/zinc/36/42/14/603364214.db2.gz ZRIKLPNRANNJCN-CYBMUJFWSA-N -1 0 339.395 3.605 20 0 EHADRM Cc1cc(CNC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)ccc1F ZINC000830041164 603365320 /nfs/dbraw/zinc/36/53/20/603365320.db2.gz IJRRDKBKDPGLDG-LBPRGKRZSA-N -1 0 345.374 3.784 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)Cc2c[nH]c3ccc(F)cc23)c1 ZINC000740704280 603380488 /nfs/dbraw/zinc/38/04/88/603380488.db2.gz BAPQQJNGQMQUPI-UHFFFAOYSA-N -1 0 345.305 3.717 20 0 EHADRM CC(C)(C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])c1cccs1 ZINC000738661927 603386619 /nfs/dbraw/zinc/38/66/19/603386619.db2.gz LZXHJEYRNOABOP-UHFFFAOYSA-N -1 0 330.409 3.705 20 0 EHADRM C[C@@H](CC(=O)Nc1cccc(Cl)c1Oc1cccnc1)NC(=O)[O-] ZINC000824703397 603391746 /nfs/dbraw/zinc/39/17/46/603391746.db2.gz KIYJMXQXIQVFFE-JTQLQIEISA-N -1 0 349.774 3.512 20 0 EHADRM Cc1ccc(C(=O)N[C@H](C)Cc2ccccc2F)cc1NC(=O)[O-] ZINC000830206335 603392609 /nfs/dbraw/zinc/39/26/09/603392609.db2.gz ZMQUGMUDTLPORF-GFCCVEGCSA-N -1 0 330.359 3.585 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000739085007 603393243 /nfs/dbraw/zinc/39/32/43/603393243.db2.gz SMXCSIKHWJEJRQ-YOEHRIQHSA-N -1 0 338.407 3.724 20 0 EHADRM Cc1cc(NC(=O)c2ccc(C)c(NC(=O)[O-])c2)n(C(C)(C)C)n1 ZINC000830117502 603396513 /nfs/dbraw/zinc/39/65/13/603396513.db2.gz ZIZLKCLMGQZTOK-UHFFFAOYSA-N -1 0 330.388 3.597 20 0 EHADRM CCC1CCC(N(C(=O)c2ccc(CNC(=O)[O-])o2)C2CC2)CC1 ZINC000826660260 603401628 /nfs/dbraw/zinc/40/16/28/603401628.db2.gz JVFOHCVXPKKQAL-UHFFFAOYSA-N -1 0 334.416 3.621 20 0 EHADRM C[C@H](c1nc(-c2ccc(O)cc2)no1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000825645667 603409349 /nfs/dbraw/zinc/40/93/49/603409349.db2.gz SWGVQDXAJRMZNK-XHDPSFHLSA-N -1 0 339.351 3.555 20 0 EHADRM O=C([O-])NC1(c2noc([C@@H]3C[C@@H]3c3cccc(F)c3F)n2)CCCC1 ZINC000832227080 603416353 /nfs/dbraw/zinc/41/63/53/603416353.db2.gz ATYORFFCGDENGV-GHMZBOCLSA-N -1 0 349.337 3.656 20 0 EHADRM Cc1ccc(OC[C@H](C)NC(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1 ZINC000830407498 603421278 /nfs/dbraw/zinc/42/12/78/603421278.db2.gz QALIJPDGFATBMU-AWEZNQCLSA-N -1 0 342.395 3.591 20 0 EHADRM CCCCCCOCC(=O)N1CCCN(C(=O)[O-])c2ccccc21 ZINC000739327982 603429914 /nfs/dbraw/zinc/42/99/14/603429914.db2.gz BGEXRIOJWZFUDK-UHFFFAOYSA-N -1 0 334.416 3.505 20 0 EHADRM CCC(CC)c1cc(CNC(=O)c2cccc(NC(=O)[O-])c2)on1 ZINC000736906353 603434540 /nfs/dbraw/zinc/43/45/40/603434540.db2.gz YRDFRFCMBKSEDM-UHFFFAOYSA-N -1 0 331.372 3.598 20 0 EHADRM O=C([O-])NC1(CNC(=O)c2c(Cl)cccc2Cl)CCCCC1 ZINC000832222819 603443327 /nfs/dbraw/zinc/44/33/27/603443327.db2.gz FXGSTVOVSJKUHH-UHFFFAOYSA-N -1 0 345.226 3.694 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000832285209 603453272 /nfs/dbraw/zinc/45/32/72/603453272.db2.gz DNYIPOVTNPEBCL-CZUORRHYSA-N -1 0 336.391 3.633 20 0 EHADRM Cc1cc(F)ccc1NC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000738401925 603462914 /nfs/dbraw/zinc/46/29/14/603462914.db2.gz KWWVZSAEBOJMHV-UHFFFAOYSA-N -1 0 331.347 3.588 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)[C@@H]3CC[C@H](NC(=O)[O-])C3)ccc2o1 ZINC000823864034 603467401 /nfs/dbraw/zinc/46/74/01/603467401.db2.gz GNLMZZYJBBWJFW-MNOVXSKESA-N -1 0 345.399 3.500 20 0 EHADRM CN(C(=O)c1ccc(Cl)c(Cl)c1)C1CCC(NC(=O)[O-])CC1 ZINC000827931542 603475396 /nfs/dbraw/zinc/47/53/96/603475396.db2.gz GABQCTDGHBXSOA-UHFFFAOYSA-N -1 0 345.226 3.644 20 0 EHADRM CCC(CC)(CNC(=O)[O-])NC(=O)Nc1ccccc1C(F)(F)F ZINC000826547804 603546146 /nfs/dbraw/zinc/54/61/46/603546146.db2.gz NQNAQQNKPIHTDK-UHFFFAOYSA-N -1 0 347.337 3.653 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)c1cc2ccccc2s1 ZINC000825083343 603579647 /nfs/dbraw/zinc/57/96/47/603579647.db2.gz PNNLQBGPVVVSNP-UHTWSYAYSA-N -1 0 332.425 3.515 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000825860454 603587901 /nfs/dbraw/zinc/58/79/01/603587901.db2.gz JVRLAQXVGUBDDQ-KEYYUXOJSA-N -1 0 345.443 3.981 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)cc1NC(=O)[O-] ZINC000830204239 603637972 /nfs/dbraw/zinc/63/79/72/603637972.db2.gz DZXWZFDXPVTSKG-LBPRGKRZSA-N -1 0 332.322 3.792 20 0 EHADRM CCN(CC1CCN(C(=O)c2cc3cccc(C)c3o2)CC1)C(=O)[O-] ZINC000827080160 603743566 /nfs/dbraw/zinc/74/35/66/603743566.db2.gz QCDVGXPEOUGKEY-UHFFFAOYSA-N -1 0 344.411 3.593 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NCC2CCC(C(F)(F)F)CC2)cc1 ZINC000832833200 603773677 /nfs/dbraw/zinc/77/36/77/603773677.db2.gz ILJRODWACOIFTK-UHFFFAOYSA-N -1 0 344.333 3.875 20 0 EHADRM CN(C(=S)Nc1ccc(Cl)cc1)C1CCC(NC(=O)[O-])CC1 ZINC000827951265 603829541 /nfs/dbraw/zinc/82/95/41/603829541.db2.gz VOMBTIDOEJBNOB-UHFFFAOYSA-N -1 0 341.864 3.547 20 0 EHADRM CCN(Cc1ccccn1)C(=O)c1cc2ccccc2cc1NC(=O)[O-] ZINC000827193896 603829737 /nfs/dbraw/zinc/82/97/37/603829737.db2.gz VFWWWCKAALMGEK-UHFFFAOYSA-N -1 0 349.390 3.987 20 0 EHADRM CC(C)[C@@H](CCN(C)C(=S)Nc1ccccc1Cl)NC(=O)[O-] ZINC000824097739 603830400 /nfs/dbraw/zinc/83/04/00/603830400.db2.gz AHOOARSKAQWGHW-GFCCVEGCSA-N -1 0 343.880 3.651 20 0 EHADRM CC[C@@H](NC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccccc1 ZINC000826600793 603833308 /nfs/dbraw/zinc/83/33/08/603833308.db2.gz LPWTZTCQSMGZLF-CVGRLMLNSA-N -1 0 330.428 3.565 20 0 EHADRM C[C@@H](OC(=O)[C@H](NC(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000825602169 603837804 /nfs/dbraw/zinc/83/78/04/603837804.db2.gz IWCFIBKKUHTIJP-MEBBXXQBSA-N -1 0 335.306 3.578 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000830262313 603882129 /nfs/dbraw/zinc/88/21/29/603882129.db2.gz NGCHPVQDBGJZPV-PWSUYJOCSA-N -1 0 344.333 3.779 20 0 EHADRM CC(C)(CC(=O)Nc1ccc(CCC(F)(F)F)cc1)NC(=O)[O-] ZINC000823885451 603885579 /nfs/dbraw/zinc/88/55/79/603885579.db2.gz GNWZJGDCARSVON-UHFFFAOYSA-N -1 0 332.322 3.556 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N(Cc2cccc(O)c2)CC2CC2)cc1 ZINC000832829597 603895587 /nfs/dbraw/zinc/89/55/87/603895587.db2.gz WQHPLSJRSIUJPC-UHFFFAOYSA-N -1 0 340.379 3.535 20 0 EHADRM O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)N1CCC[C@]3(CC=CCC3)C1)C2 ZINC000831298893 603896984 /nfs/dbraw/zinc/89/69/84/603896984.db2.gz ISSCXGXXQBCGJN-KVMCETHSSA-N -1 0 346.471 3.646 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)CCCc2csc(C)n2)c1 ZINC000829469164 603922476 /nfs/dbraw/zinc/92/24/76/603922476.db2.gz FORHLEWTVSGDOX-UHFFFAOYSA-N -1 0 349.412 3.511 20 0 EHADRM O=C([O-])N[C@H]1CC[C@H](C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000832296847 603941711 /nfs/dbraw/zinc/94/17/11/603941711.db2.gz LTWHZKKHLFASCD-KBPBESRZSA-N -1 0 340.379 3.854 20 0 EHADRM C[C@@H](NC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])[C@@H](C)c1ccccc1 ZINC000825101274 603950604 /nfs/dbraw/zinc/95/06/04/603950604.db2.gz OFHQTWADNVJMLY-XILPPMENSA-N -1 0 344.455 3.606 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)N2CCCCC[C@H]2c2ccccc2)C1 ZINC000832246378 603951411 /nfs/dbraw/zinc/95/14/11/603951411.db2.gz JXSSBBQBXNOUGN-BBWFWOEESA-N -1 0 330.428 3.567 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)c1sccc1C1CC1 ZINC000831798029 603951925 /nfs/dbraw/zinc/95/19/25/603951925.db2.gz ZZNALUZOELEKRG-UHFFFAOYSA-N -1 0 328.393 3.918 20 0 EHADRM Cc1ccc(C(=O)O[C@H](C)c2nc(C(C)(C)C)no2)cc1NC(=O)[O-] ZINC000830237787 603953442 /nfs/dbraw/zinc/95/34/42/603953442.db2.gz MHUUXHFYTIXKQQ-SNVBAGLBSA-N -1 0 347.371 3.683 20 0 EHADRM Cc1ccccc1C1(C(=O)Nc2cccc3c2CCN3C(=O)[O-])CC1 ZINC000830559220 603955204 /nfs/dbraw/zinc/95/52/04/603955204.db2.gz JEWFRXBZINDMPA-UHFFFAOYSA-N -1 0 336.391 3.706 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)Nc1ccc(F)cc1F ZINC000831761660 603965022 /nfs/dbraw/zinc/96/50/22/603965022.db2.gz MHMIIBGQLOEYQG-UHFFFAOYSA-N -1 0 333.294 3.649 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)N(Cc2ccsc2)c2ccccc2)C1 ZINC000832248346 603966572 /nfs/dbraw/zinc/96/65/72/603966572.db2.gz WQFAWMSNLBSZMZ-LSDHHAIUSA-N -1 0 344.436 3.718 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)[C@@H]2C[C@@]23CCc2ccccc23)cc1 ZINC000827900066 603991066 /nfs/dbraw/zinc/99/10/66/603991066.db2.gz OIDCEEZVTFUETC-FXAWDEMLSA-N -1 0 337.375 3.610 20 0 EHADRM Cc1cccc([C@@H]2CCCCN2C(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)c1C ZINC000830493023 603993521 /nfs/dbraw/zinc/99/35/21/603993521.db2.gz MIHJHGOCUBMHSG-NUJGCVRESA-N -1 0 344.455 3.793 20 0 EHADRM CCN(C(=O)Nc1cccc2c1CCN2C(=O)[O-])C1CCCCC1 ZINC000826980656 603994030 /nfs/dbraw/zinc/99/40/30/603994030.db2.gz YLPVIFQKQKXCQU-UHFFFAOYSA-N -1 0 331.416 3.914 20 0 EHADRM CC(C)C[C@H]1CCCCN1C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000824225024 604009457 /nfs/dbraw/zinc/00/94/57/604009457.db2.gz PEWRGJLILLRDRF-IFFAKLHKSA-N -1 0 336.476 3.725 20 0 EHADRM C[C@@H](Sc1ccccn1)C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000825622496 604043416 /nfs/dbraw/zinc/04/34/16/604043416.db2.gz DDUWGNBDPQRFQB-NWDGAFQWSA-N -1 0 345.424 3.530 20 0 EHADRM CC[C@H](Oc1ccccc1F)C(=O)Nc1ccccc1NC(=O)[O-] ZINC000826633243 604049574 /nfs/dbraw/zinc/04/95/74/604049574.db2.gz VDRUSJYXDCXVEP-AWEZNQCLSA-N -1 0 332.331 3.712 20 0 EHADRM CCCN(Cc1ncc(-c2ccccc2C)o1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000826916689 604050200 /nfs/dbraw/zinc/05/02/00/604050200.db2.gz PSZLQVKILODGJX-OAHLLOKOSA-N -1 0 343.427 3.614 20 0 EHADRM COc1ccc(NC(=O)N2CCC[C@@H]3CCC[C@H]32)cc1NC(=O)[O-] ZINC000829460301 604135120 /nfs/dbraw/zinc/13/51/20/604135120.db2.gz JUFCJMATUFSXFE-SMDDNHRTSA-N -1 0 333.388 3.582 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)N3CCC[C@H]4CCC[C@@H]43)ccc21 ZINC000832018845 604138449 /nfs/dbraw/zinc/13/84/49/604138449.db2.gz RKANYOYEWHQDKW-CJNGLKHVSA-N -1 0 343.427 3.914 20 0 EHADRM CN(Cc1ccccc1NC(=O)[C@@H]1C[C@H]1Cc1ccccc1)C(=O)[O-] ZINC000828393254 604181223 /nfs/dbraw/zinc/18/12/23/604181223.db2.gz KGBOXUMMOHNERO-IAGOWNOFSA-N -1 0 338.407 3.614 20 0 EHADRM C[C@H](C(=O)OC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1cccc(Cl)c1 ZINC000823731549 604239350 /nfs/dbraw/zinc/23/93/50/604239350.db2.gz OFKCMPMBFZNAQT-ZEIJEMSESA-N -1 0 337.803 3.660 20 0 EHADRM C[C@@H](C(=O)O[C@@H](C)c1cccs1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000825536195 604246841 /nfs/dbraw/zinc/24/68/41/604246841.db2.gz QIFOXQWCLKRTMQ-XUJVJEKNSA-N -1 0 333.409 3.997 20 0 EHADRM C[C@H](OC(=O)C[C@@H](Cc1ccccc1)NC(=O)[O-])c1cccs1 ZINC000825570219 604246877 /nfs/dbraw/zinc/24/68/77/604246877.db2.gz JVZZLIQEIUKEFI-GXTWGEPZSA-N -1 0 333.409 3.621 20 0 EHADRM Cc1[nH]c2ccccc2c1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000738246269 604251983 /nfs/dbraw/zinc/25/19/83/604251983.db2.gz ANRNYFGHNQGSEQ-UHFFFAOYSA-N -1 0 337.379 3.539 20 0 EHADRM CCN(c1ccc(NC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)cc1)C(C)C ZINC000737859104 604271951 /nfs/dbraw/zinc/27/19/51/604271951.db2.gz XTLUYWABODDWKB-UHFFFAOYSA-N -1 0 343.427 3.817 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)c3c(C)[nH]c(C(=O)[O-])c3C)cc2)co1 ZINC000832991791 604274907 /nfs/dbraw/zinc/27/49/07/604274907.db2.gz YGOPPABJZHTWCJ-UHFFFAOYSA-N -1 0 339.351 3.545 20 0 EHADRM CCc1cc(C(=O)N2CCCc3c(C(=O)[O-])cccc32)oc1CC ZINC000830213790 604284802 /nfs/dbraw/zinc/28/48/02/604284802.db2.gz GXIKGYPPCWYPJI-UHFFFAOYSA-N -1 0 327.380 3.696 20 0 EHADRM CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(C)cc2C(=O)[O-])c1 ZINC000191231613 604307267 /nfs/dbraw/zinc/30/72/67/604307267.db2.gz JKQVGUGTZAFAAD-UHFFFAOYSA-N -1 0 346.770 3.557 20 0 EHADRM CC(C)Nc1ccc(F)cc1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000826984038 604329709 /nfs/dbraw/zinc/32/97/09/604329709.db2.gz NBMCKHQTGVUONH-UHFFFAOYSA-N -1 0 334.322 3.736 20 0 EHADRM CCC[C@@](C)(NCc1nc2cc(C(F)(F)F)ccc2o1)C(=O)[O-] ZINC000829202221 604347980 /nfs/dbraw/zinc/34/79/80/604347980.db2.gz KPRRYYUXYDKJSW-CQSZACIVSA-N -1 0 330.306 3.580 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1cccc2cc[nH]c21 ZINC000237947921 604351660 /nfs/dbraw/zinc/35/16/60/604351660.db2.gz SBZRILVHMOMVPO-UHFFFAOYSA-N -1 0 336.391 3.675 20 0 EHADRM C[C@H](CC(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824566247 604355823 /nfs/dbraw/zinc/35/58/23/604355823.db2.gz XTSLZBWNRIQKFG-UUAJXVIYSA-N -1 0 336.476 3.582 20 0 EHADRM C[C@@H](CC(=O)NC(C)(C)c1cccs1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824605888 604357394 /nfs/dbraw/zinc/35/73/94/604357394.db2.gz LOICWWNRKZYOMA-STQMWFEESA-N -1 0 338.473 3.516 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(F)c(NC(=O)[O-])c2)n1 ZINC000830493366 604367979 /nfs/dbraw/zinc/36/79/79/604367979.db2.gz PIGZTPXKFXJGCY-INIZCTEOSA-N -1 0 343.358 3.596 20 0 EHADRM Cc1cc([C@@H](C)N(C)CC(=O)Nc2cccc(C)c2C)oc1C(=O)[O-] ZINC000832871492 604382810 /nfs/dbraw/zinc/38/28/10/604382810.db2.gz SCILRCXLLFGKHE-CQSZACIVSA-N -1 0 344.411 3.535 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1cccc2cc[nH]c21)c1ccccc1 ZINC000826106060 604391226 /nfs/dbraw/zinc/39/12/26/604391226.db2.gz QMZCJCKAVUHERT-QGZVFWFLSA-N -1 0 336.391 3.750 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1ccnc2ccccc21 ZINC000833226858 604395904 /nfs/dbraw/zinc/39/59/04/604395904.db2.gz NHCQGRVFNWUGOH-UHFFFAOYSA-N -1 0 348.402 3.742 20 0 EHADRM Cc1cc(Cl)ncc1NC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000832886821 604407947 /nfs/dbraw/zinc/40/79/47/604407947.db2.gz MJIXCUBKNNEPPZ-RYUDHWBXSA-N -1 0 339.823 3.589 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)CCc1ccc(F)cc1 ZINC000829028148 604428168 /nfs/dbraw/zinc/42/81/68/604428168.db2.gz SSUCUAIMTJFTGH-SFHVURJKSA-N -1 0 343.398 3.823 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000826631139 604440301 /nfs/dbraw/zinc/44/03/01/604440301.db2.gz DSVGJWYLGWGQCS-KRWDZBQOSA-N -1 0 348.443 3.863 20 0 EHADRM Cc1cccc(C)c1C(=O)NCc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000830480630 604453455 /nfs/dbraw/zinc/45/34/55/604453455.db2.gz QVYVKPRBSBZGFZ-AWEZNQCLSA-N -1 0 326.396 3.562 20 0 EHADRM Cc1ccc([C@H](CNc2cc(Cl)nc(C3CC3)n2)C(=O)[O-])cc1 ZINC000833749326 604461646 /nfs/dbraw/zinc/46/16/46/604461646.db2.gz QNDQKBVBEHBOIW-ZDUSSCGKSA-N -1 0 331.803 3.596 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1c1ncnc2sc(-c3ccccc3)cc21 ZINC000833213619 604470704 /nfs/dbraw/zinc/47/07/04/604470704.db2.gz XQHFCRQFPPUNEJ-ZDUSSCGKSA-N -1 0 339.420 3.802 20 0 EHADRM CN(Cc1c(F)cccc1Cl)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000830805924 604483198 /nfs/dbraw/zinc/48/31/98/604483198.db2.gz DFNZFGXIJDHUFI-UHFFFAOYSA-N -1 0 342.779 3.903 20 0 EHADRM CCC1CCC(N(C(=O)NC2CCC(C(=O)[O-])CC2)C2CC2)CC1 ZINC000263489739 604491198 /nfs/dbraw/zinc/49/11/98/604491198.db2.gz QSYVFFZABYXYHP-UHFFFAOYSA-N -1 0 336.476 3.773 20 0 EHADRM CCc1ccc([C@H]2CCCN2C(=O)Nc2cc(C(=O)[O-])cs2)o1 ZINC000830238884 604523843 /nfs/dbraw/zinc/52/38/43/604523843.db2.gz UCDDEFGPFSKBIM-GFCCVEGCSA-N -1 0 334.397 3.971 20 0 EHADRM CC(C)CN(C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])C1CC1 ZINC000826864889 604524370 /nfs/dbraw/zinc/52/43/70/604524370.db2.gz ATAXIWIYZWSXIB-INIZCTEOSA-N -1 0 332.444 3.669 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)Nc2cc(F)ccc2F)cc1 ZINC000825389035 604524776 /nfs/dbraw/zinc/52/47/76/604524776.db2.gz NMPLDPKGPMZRBM-SNVBAGLBSA-N -1 0 349.337 3.615 20 0 EHADRM CC[C@H]1CCCCN1C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000829119066 604527427 /nfs/dbraw/zinc/52/74/27/604527427.db2.gz MHVMJJDAFZTHOS-HOTGVXAUSA-N -1 0 332.444 3.813 20 0 EHADRM CC(C)[C@@H]1CCN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000826735883 604531391 /nfs/dbraw/zinc/53/13/91/604531391.db2.gz JOYDDIUDIWAKAW-CVEARBPZSA-N -1 0 332.444 3.526 20 0 EHADRM C[C@H]1CCCN(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])CC1 ZINC000828265683 604532296 /nfs/dbraw/zinc/53/22/96/604532296.db2.gz GONVPQNYUUJSHN-GOEBONIOSA-N -1 0 332.444 3.670 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)Nc2cccc(F)c2F)cc1 ZINC000825388646 604545413 /nfs/dbraw/zinc/54/54/13/604545413.db2.gz IBKIVRVJOCUXRB-SNVBAGLBSA-N -1 0 349.337 3.615 20 0 EHADRM CCOCCC1(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CCC1 ZINC000190606083 604556499 /nfs/dbraw/zinc/55/64/99/604556499.db2.gz LDJVPTUWNFJPDM-UHFFFAOYSA-N -1 0 325.792 3.574 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000263086327 604576606 /nfs/dbraw/zinc/57/66/06/604576606.db2.gz ZRNHQOQAXYEFHZ-HNNXBMFYSA-N -1 0 335.831 3.618 20 0 EHADRM CCC[C@H](CC)NC(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000829217104 604578976 /nfs/dbraw/zinc/57/89/76/604578976.db2.gz ZGOGKFKSUQODBR-HNNXBMFYSA-N -1 0 347.459 3.549 20 0 EHADRM Cc1cc([C@H](C)OC(=O)CNc2ccccc2Cl)oc1C(=O)[O-] ZINC000832872053 604585798 /nfs/dbraw/zinc/58/57/98/604585798.db2.gz LSUWCFFIODVDRY-JTQLQIEISA-N -1 0 337.759 3.656 20 0 EHADRM C[C@@H]1[C@@H](C)CCCN1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000833614613 604587733 /nfs/dbraw/zinc/58/77/33/604587733.db2.gz QNJDSQRFDHWLKG-QWHCGFSZSA-N -1 0 336.457 3.657 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2cccc3cnccc32)oc1C(=O)[O-] ZINC000832873462 604593766 /nfs/dbraw/zinc/59/37/66/604593766.db2.gz CRSQTDWNFPRUTQ-NSHDSACASA-N -1 0 325.320 3.752 20 0 EHADRM CC(C)Cn1ncc(C(=O)Nc2ccc(C(=O)[O-])cc2F)c1C1CC1 ZINC000819993228 604596218 /nfs/dbraw/zinc/59/62/18/604596218.db2.gz WYTSFIMWQJDWSK-UHFFFAOYSA-N -1 0 345.374 3.506 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2ccc(F)c(F)c2F)oc1C(=O)[O-] ZINC000832877398 604598589 /nfs/dbraw/zinc/59/85/89/604598589.db2.gz YDQQHQFXAZOSEY-ZETCQYMHSA-N -1 0 328.242 3.622 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)[O-] ZINC000828728293 604598703 /nfs/dbraw/zinc/59/87/03/604598703.db2.gz JDHHATMXKLOPJP-PXAZEXFGSA-N -1 0 345.370 3.847 20 0 EHADRM CC[C@@H](C)[C@H](C)N(C(=O)NCCc1cccc(C(=O)[O-])c1)C1CC1 ZINC000833637367 604601351 /nfs/dbraw/zinc/60/13/51/604601351.db2.gz DIBFSBKDYKOMSI-KGLIPLIRSA-N -1 0 332.444 3.536 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)COC/C=C/c2ccccc2)oc1C(=O)[O-] ZINC000832872684 604602465 /nfs/dbraw/zinc/60/24/65/604602465.db2.gz TYAISNCDEKWMBA-VIIAAUOXSA-N -1 0 344.363 3.620 20 0 EHADRM CC(C)[C@@H](C)N(C(=O)NCc1ccc([C@H](C)NC(=O)[O-])cc1)C1CC1 ZINC000825382488 604619853 /nfs/dbraw/zinc/61/98/53/604619853.db2.gz FEYTVXRDDVJASS-UONOGXRCSA-N -1 0 347.459 3.734 20 0 EHADRM CS[C@H]1CCCCN(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC000832747929 604630508 /nfs/dbraw/zinc/63/05/08/604630508.db2.gz SHYSDLRQUOIQBW-ZDUSSCGKSA-N -1 0 342.848 3.788 20 0 EHADRM CCCOc1cc(CN2Cc3ccc(C(=O)[O-])cc3C2)ccc1OC ZINC000833651945 604636825 /nfs/dbraw/zinc/63/68/25/604636825.db2.gz INXOQRCMDFTIHA-UHFFFAOYSA-N -1 0 341.407 3.698 20 0 EHADRM C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)N(C)CC(=O)[O-] ZINC000833551738 604644594 /nfs/dbraw/zinc/64/45/94/604644594.db2.gz VIUUXXFGGXBBPQ-QMMMGPOBSA-N -1 0 329.183 3.726 20 0 EHADRM CCCOc1ccc(NC2CCN(C(=O)[O-])CC2)cc1OCCC ZINC000829537722 604646224 /nfs/dbraw/zinc/64/62/24/604646224.db2.gz BRGWTIZWLBBGOI-UHFFFAOYSA-N -1 0 336.432 3.819 20 0 EHADRM O=C([O-])c1sc(N[C@@H]2CCOC3(CCCCC3)C2)nc1Cl ZINC000833347201 604648405 /nfs/dbraw/zinc/64/84/05/604648405.db2.gz YAFJSMVWKRIPEP-SECBINFHSA-N -1 0 330.837 3.789 20 0 EHADRM CCC(CC)n1ccc(C(=O)N(c2ccccc2)[C@@H](CC)C(=O)[O-])n1 ZINC000828594781 604657956 /nfs/dbraw/zinc/65/79/56/604657956.db2.gz JWCAWDNCNBHHQB-KRWDZBQOSA-N -1 0 343.427 3.754 20 0 EHADRM CCC(CC)[C@@H](NC(=O)N1CCC[C@@H]1CC(=O)[O-])c1cccs1 ZINC000828854444 604675359 /nfs/dbraw/zinc/67/53/59/604675359.db2.gz FAHRYMGUMLAJPI-CZUORRHYSA-N -1 0 338.473 3.874 20 0 EHADRM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000539676860 604680330 /nfs/dbraw/zinc/68/03/30/604680330.db2.gz NWSRPCNYZLOCNU-LBPRGKRZSA-N -1 0 331.799 3.800 20 0 EHADRM C[C@H](c1ccccc1F)N(C)C(=O)CCc1ccccc1C(=O)[O-] ZINC000262170174 604680417 /nfs/dbraw/zinc/68/04/17/604680417.db2.gz LIPDCWAAMXHERU-CYBMUJFWSA-N -1 0 329.371 3.676 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000833209393 604690348 /nfs/dbraw/zinc/69/03/48/604690348.db2.gz DKMFSCOSGALLMB-KBXCAEBGSA-N -1 0 348.418 3.706 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)Cc2ccc(F)cc2Cl)oc1C(=O)[O-] ZINC000832872812 604691606 /nfs/dbraw/zinc/69/16/06/604691606.db2.gz WMGUXNBWYKINBX-SECBINFHSA-N -1 0 340.734 3.926 20 0 EHADRM CN(C(=O)[O-])c1ccc(NCc2cn(C)nc2-c2cccs2)cc1 ZINC000833685837 604705276 /nfs/dbraw/zinc/70/52/76/604705276.db2.gz SDBZRISVIUCZTC-UHFFFAOYSA-N -1 0 342.424 3.875 20 0 EHADRM Cc1cc([C@@H](C)Sc2nnc(NC3CC3)s2)oc1C(=O)[O-] ZINC000832874173 604710155 /nfs/dbraw/zinc/71/01/55/604710155.db2.gz NKVRVOUDMFLQKZ-SSDOTTSWSA-N -1 0 325.415 3.565 20 0 EHADRM C[C@@H](C(=O)N(C)C1(C(=O)[O-])CCCC1)c1ccc2ccccc2c1 ZINC000825971853 604712768 /nfs/dbraw/zinc/71/27/68/604712768.db2.gz HFTIDNNBHGJPCA-CQSZACIVSA-N -1 0 325.408 3.799 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000262132803 604720642 /nfs/dbraw/zinc/72/06/42/604720642.db2.gz HRMXADSLLNEENX-KRWDZBQOSA-N -1 0 343.810 3.775 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N(C)C1(C(=O)[O-])CCCC1 ZINC000832849020 604727615 /nfs/dbraw/zinc/72/76/15/604727615.db2.gz SHLRCMIBDGVZGT-UHFFFAOYSA-N -1 0 335.400 3.818 20 0 EHADRM O=C([O-])CCc1csc(NC(=O)c2cc3sccc3s2)n1 ZINC000833240495 604731001 /nfs/dbraw/zinc/73/10/01/604731001.db2.gz KPBQOEAAENBOEQ-UHFFFAOYSA-N -1 0 338.435 3.689 20 0 EHADRM CC(C)(C)OC(=O)c1cccc(C(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC000833443963 604732515 /nfs/dbraw/zinc/73/25/15/604732515.db2.gz GXWGQFJBPSEDSV-UHFFFAOYSA-N -1 0 347.392 3.654 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000262262520 604738588 /nfs/dbraw/zinc/73/85/88/604738588.db2.gz XACVNEOQPPETRD-FQEVSTJZSA-N -1 0 337.419 3.975 20 0 EHADRM CC(C)Oc1ccc(OC(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC000833506871 604750416 /nfs/dbraw/zinc/75/04/16/604750416.db2.gz RTAUXIDPIHYHQF-UHFFFAOYSA-N -1 0 328.364 3.710 20 0 EHADRM O=C([O-])CCCSc1nnc(-c2cccs2)n1Cc1ccco1 ZINC000821525204 604752204 /nfs/dbraw/zinc/75/22/04/604752204.db2.gz XSPYVYXFDBRAQA-UHFFFAOYSA-N -1 0 349.437 3.605 20 0 EHADRM CN(Cc1ccc(NC(=O)C2CCC(F)(F)CC2)cc1)C(=O)[O-] ZINC000833695720 604752933 /nfs/dbraw/zinc/75/29/33/604752933.db2.gz UFODXAZXGBJTQG-UHFFFAOYSA-N -1 0 326.343 3.560 20 0 EHADRM Cc1ccc(C[C@H](C)N(C)C(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC000262085242 604753711 /nfs/dbraw/zinc/75/37/11/604753711.db2.gz FTMPZZSQIRDROL-INIZCTEOSA-N -1 0 339.435 3.715 20 0 EHADRM CC(C)Nc1cc(F)ccc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000833503934 604759154 /nfs/dbraw/zinc/75/91/54/604759154.db2.gz ABUWKUMWJJHUCQ-UHFFFAOYSA-N -1 0 344.386 3.916 20 0 EHADRM COc1c(Cl)cccc1NCc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000833727316 604778301 /nfs/dbraw/zinc/77/83/01/604778301.db2.gz SOQQLVLWVNYBEQ-NSHDSACASA-N -1 0 335.787 3.813 20 0 EHADRM C[C@]1(c2ccccc2)CCN(C(=O)CCc2ccccc2C(=O)[O-])C1 ZINC000450532019 604779758 /nfs/dbraw/zinc/77/97/58/604779758.db2.gz LUVZNXICHMNAHU-NRFANRHFSA-N -1 0 337.419 3.508 20 0 EHADRM C/C(=C/c1cccc(Cl)c1)C(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC000761864303 604779783 /nfs/dbraw/zinc/77/97/83/604779783.db2.gz HLQLHDLJNMKVCB-HGPCXVNDSA-N -1 0 347.773 3.825 20 0 EHADRM CCC/C(C)=C/C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000829209761 604783075 /nfs/dbraw/zinc/78/30/75/604783075.db2.gz WWMSWKXGKVLWEC-WYMLVPIESA-N -1 0 330.428 3.534 20 0 EHADRM CCCCCCC(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000829348974 604788254 /nfs/dbraw/zinc/78/82/54/604788254.db2.gz UIXJRRYZYVTVOE-UHFFFAOYSA-N -1 0 332.444 3.758 20 0 EHADRM CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cccc(NC(=O)[O-])c2)C1 ZINC000833436316 604789088 /nfs/dbraw/zinc/78/90/88/604789088.db2.gz GPPBTUUWUUXKFD-CQSZACIVSA-N -1 0 335.404 3.588 20 0 EHADRM Cc1cc(O)c(C(C)C)cc1NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000833746898 604795307 /nfs/dbraw/zinc/79/53/07/604795307.db2.gz LDEOPZRQLJEQIZ-UHFFFAOYSA-N -1 0 327.380 3.703 20 0 EHADRM C[C@H](SCCc1cn(CC(=O)[O-])nn1)c1ccc(C(C)(C)C)cc1 ZINC000827908275 604802897 /nfs/dbraw/zinc/80/28/97/604802897.db2.gz IIPSKYDMNHXYAJ-ZDUSSCGKSA-N -1 0 347.484 3.697 20 0 EHADRM CC(C)(C)SCCCC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833447466 604813135 /nfs/dbraw/zinc/81/31/35/604813135.db2.gz RGZUDIPQPHDWFG-UHFFFAOYSA-N -1 0 335.469 3.581 20 0 EHADRM Cc1ccc2cc(C(=O)N[C@@H](CC(=O)[O-])c3cccs3)ccc2n1 ZINC000832962015 604817697 /nfs/dbraw/zinc/81/76/97/604817697.db2.gz NRGCCHHPFYDZLT-HNNXBMFYSA-N -1 0 340.404 3.551 20 0 EHADRM CCN(CC(=O)[O-])C(=O)c1ccc(Sc2ccccc2C)cc1 ZINC000829628529 604824970 /nfs/dbraw/zinc/82/49/70/604824970.db2.gz FUENTZGLRSUWGK-UHFFFAOYSA-N -1 0 329.421 3.693 20 0 EHADRM CC1(C)CN(C(=O)CCc2ccc(C(=O)[O-])cc2)Cc2ccccc21 ZINC000833559955 604836789 /nfs/dbraw/zinc/83/67/89/604836789.db2.gz IJRPLBBMHQVWLH-UHFFFAOYSA-N -1 0 337.419 3.637 20 0 EHADRM CC(C)Oc1ccccc1COC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000827063172 604853941 /nfs/dbraw/zinc/85/39/41/604853941.db2.gz RVCRZWHMPVWIPY-UHFFFAOYSA-N -1 0 332.327 3.668 20 0 EHADRM CC(C)Cc1nc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)cs1 ZINC000669434277 604855817 /nfs/dbraw/zinc/85/58/17/604855817.db2.gz CLTYSFWTLBJGDE-CYBMUJFWSA-N -1 0 344.436 3.560 20 0 EHADRM COc1ccc(Cl)cc1COC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000832368167 604856592 /nfs/dbraw/zinc/85/65/92/604856592.db2.gz WKBMDTCRHHYXFC-UHFFFAOYSA-N -1 0 338.718 3.543 20 0 EHADRM O=C([O-])C[C@H](NC(=O)/C=C\c1ccc(Cl)cc1)c1ccccc1 ZINC000320357067 604866033 /nfs/dbraw/zinc/86/60/33/604866033.db2.gz QUXSBZYKJSBYHP-CLOOOTJHSA-N -1 0 329.783 3.685 20 0 EHADRM Cc1ccc(Cl)c(NC(=O)[C@H](CNC(=O)[O-])c2ccccc2)c1 ZINC000830323475 604870135 /nfs/dbraw/zinc/87/01/35/604870135.db2.gz HAZAERVPXNVSDA-CYBMUJFWSA-N -1 0 332.787 3.638 20 0 EHADRM C[C@@H]1CC[C@@H](CC(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)C1 ZINC000833604701 604872775 /nfs/dbraw/zinc/87/27/75/604872775.db2.gz TZNGZRSADOCMEH-IQMDTDKHSA-N -1 0 327.783 3.547 20 0 EHADRM CC(C)COc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c1 ZINC000236696192 604881856 /nfs/dbraw/zinc/88/18/56/604881856.db2.gz ZLVIHEDUBHFMAM-SFHVURJKSA-N -1 0 341.407 3.667 20 0 EHADRM Cc1nc2c(s1)[C@H](OC(=O)c1ccc(C(=O)[O-])c(F)c1)CCC2 ZINC000833006243 604883861 /nfs/dbraw/zinc/88/38/61/604883861.db2.gz YGBBZCBODCLIQU-CYBMUJFWSA-N -1 0 335.356 3.523 20 0 EHADRM CC(C)Cc1ccc(CC(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000356688563 604883925 /nfs/dbraw/zinc/88/39/25/604883925.db2.gz CRCUHXCSSVSPSC-LJQANCHMSA-N -1 0 339.435 3.760 20 0 EHADRM C[C@]1(NC(=O)c2cc(Cl)sc2Cl)CCCC[C@H]1C(=O)[O-] ZINC000262879613 604889355 /nfs/dbraw/zinc/88/93/55/604889355.db2.gz VTYJKRIAGKGUIN-SDBXPKJASA-N -1 0 336.240 3.818 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccccc1F ZINC000679101805 604893993 /nfs/dbraw/zinc/89/39/93/604893993.db2.gz OGZCERQYZMRZSX-KGLIPLIRSA-N -1 0 335.419 3.669 20 0 EHADRM O=C([O-])c1cncc(NC(=O)c2ccc(COc3ccccc3)cc2)c1 ZINC000833341505 604897752 /nfs/dbraw/zinc/89/77/52/604897752.db2.gz UVNLGMPJFIZPPI-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM CCc1ccsc1C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000345990741 604902727 /nfs/dbraw/zinc/90/27/27/604902727.db2.gz JOCLXBQKSXDQEU-UHFFFAOYSA-N -1 0 339.800 3.680 20 0 EHADRM CN(c1ccccc1)c1ccccc1C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000830888435 604911013 /nfs/dbraw/zinc/91/10/13/604911013.db2.gz QWCRDUKCIRMFEA-UHFFFAOYSA-N -1 0 347.374 3.800 20 0 EHADRM CC(C)CC[C@H]1CCCN1C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC000833479921 604923526 /nfs/dbraw/zinc/92/35/26/604923526.db2.gz CQBDSDLSSJSDKW-CYBMUJFWSA-N -1 0 344.415 3.694 20 0 EHADRM Cc1cc(F)c(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)cc1F ZINC000237648892 604934688 /nfs/dbraw/zinc/93/46/88/604934688.db2.gz WORDPDNSFASRJB-UHFFFAOYSA-N -1 0 347.361 3.780 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N[C@@H]2CCCC(F)(F)C2)cc1 ZINC000826118696 604958615 /nfs/dbraw/zinc/95/86/15/604958615.db2.gz SELCCPGFMSJARR-CYBMUJFWSA-N -1 0 340.370 3.748 20 0 EHADRM C[C@@]1(NC(=O)c2ccc(Oc3ccccc3)o2)CCCC[C@H]1C(=O)[O-] ZINC000262763694 604966693 /nfs/dbraw/zinc/96/66/93/604966693.db2.gz KQCWHIMMDNDJIE-IFXJQAMLSA-N -1 0 343.379 3.835 20 0 EHADRM C[C@]1(NC(=O)c2sccc2SC(F)F)CCCC[C@H]1C(=O)[O-] ZINC000833569931 604967317 /nfs/dbraw/zinc/96/73/17/604967317.db2.gz ABXFQKFNIAPMCA-RTHLEPHNSA-N -1 0 349.424 3.826 20 0 EHADRM C[C@@]1(NC(=O)c2cc(C(F)(F)F)ccc2F)CCCC[C@H]1C(=O)[O-] ZINC000833567529 604968941 /nfs/dbraw/zinc/96/89/41/604968941.db2.gz NPJUKVXBHUPJKH-XHDPSFHLSA-N -1 0 347.308 3.608 20 0 EHADRM CCc1nc(NC(=O)C/C=C/c2ccc(C)cc2)sc1C(=O)[O-] ZINC000833676192 604994407 /nfs/dbraw/zinc/99/44/07/604994407.db2.gz MMQJVSFNFYYDQK-SNAWJCMRSA-N -1 0 330.409 3.754 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H](c3ccccc3)CC2)cc1F ZINC000833309409 604995730 /nfs/dbraw/zinc/99/57/30/604995730.db2.gz UKZPYHPCKDAEDJ-OAHLLOKOSA-N -1 0 341.382 3.934 20 0 EHADRM O=C([O-])[C@@H](Nc1ccc2nc(C3CC3)sc2c1)c1cccnc1 ZINC000833169968 604998770 /nfs/dbraw/zinc/99/87/70/604998770.db2.gz NMKSPJSKODWLMB-HNNXBMFYSA-N -1 0 325.393 3.807 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)/C=C/c2ccc3[nH]ccc3c2)C1 ZINC000833415481 604999957 /nfs/dbraw/zinc/99/99/57/604999957.db2.gz NNJUBVZFACCOEH-IQIBNGDESA-N -1 0 340.423 3.531 20 0 EHADRM CC[C@@H](OC(=O)CCCOc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000833646960 605013204 /nfs/dbraw/zinc/01/32/04/605013204.db2.gz YUSPWHSUXBOHDM-SNVBAGLBSA-N -1 0 335.183 3.559 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(F)c(NC(=O)[O-])c1)c1c(F)cccc1F ZINC000833408748 605030245 /nfs/dbraw/zinc/03/02/45/605030245.db2.gz IWPBUMMEOSTRAO-MRVPVSSYSA-N -1 0 338.285 3.936 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000190617140 605066126 /nfs/dbraw/zinc/06/61/26/605066126.db2.gz RTDXZLANSIVVQT-GOSISDBHSA-N -1 0 339.435 3.978 20 0 EHADRM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000194429475 605081743 /nfs/dbraw/zinc/08/17/43/605081743.db2.gz MZMGROWIEZTHDO-UHFFFAOYSA-N -1 0 344.238 3.843 20 0 EHADRM O=C([O-])N[C@H]1CCN(C(=O)Nc2ccc(SC3CCCC3)cc2)C1 ZINC000740587659 605084375 /nfs/dbraw/zinc/08/43/75/605084375.db2.gz BLGORDHZPZPCEN-ZDUSSCGKSA-N -1 0 349.456 3.595 20 0 EHADRM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)C2CCC(C(=O)[O-])CC2)C1 ZINC000192968609 605087393 /nfs/dbraw/zinc/08/73/93/605087393.db2.gz QSWACRQFGIFCGJ-VBRUCIBASA-N -1 0 333.403 3.626 20 0 EHADRM CC(C)c1ccc(CN(C(=O)c2cncc(C(=O)[O-])c2)C2CC2)cc1 ZINC000630103887 605098782 /nfs/dbraw/zinc/09/87/82/605098782.db2.gz GFCBFGHPSVMBBA-UHFFFAOYSA-N -1 0 338.407 3.708 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NCC(C)(C)c1cccc(Cl)c1 ZINC000190625360 605106009 /nfs/dbraw/zinc/10/60/09/605106009.db2.gz MAETYMAZZZQJBH-UHFFFAOYSA-N -1 0 325.836 3.625 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000630301202 605109799 /nfs/dbraw/zinc/10/97/99/605109799.db2.gz HWTGVRNLLQTXOC-OAHLLOKOSA-N -1 0 339.382 3.909 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(Cl)cc1Br ZINC000126377632 605109872 /nfs/dbraw/zinc/10/98/72/605109872.db2.gz DSKTVOQNJSLTIP-UHFFFAOYSA-N -1 0 348.624 3.932 20 0 EHADRM CC(C)COc1ccc(COC(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000833490835 605117324 /nfs/dbraw/zinc/11/73/24/605117324.db2.gz XOEVYEIQZHBVBS-UHFFFAOYSA-N -1 0 334.412 3.656 20 0 EHADRM Cc1ccccc1-c1noc(COc2cc(C(=O)[O-])cc(F)c2C)n1 ZINC000833752885 605119503 /nfs/dbraw/zinc/11/95/03/605119503.db2.gz CVKDKWPWTUWYRC-UHFFFAOYSA-N -1 0 342.326 3.770 20 0 EHADRM CC[C@H](NC(=O)[O-])c1nc(-c2ccc(Oc3ccccc3)nc2)no1 ZINC000827551941 605120137 /nfs/dbraw/zinc/12/01/37/605120137.db2.gz SBCJICIWBOVGNI-ZDUSSCGKSA-N -1 0 340.339 3.643 20 0 EHADRM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2C(=O)/C=C/c1ccc(Cl)cc1 ZINC000832229218 605146496 /nfs/dbraw/zinc/14/64/96/605146496.db2.gz XGQGSJBUXOGICE-LVQBDQDKSA-N -1 0 348.830 3.533 20 0 EHADRM CC(C)(CNC(=O)N1CCC(CCC(=O)[O-])CC1)C1CCCCC1 ZINC000833457760 605147009 /nfs/dbraw/zinc/14/70/09/605147009.db2.gz URYINEWSRUQIQX-UHFFFAOYSA-N -1 0 338.492 3.879 20 0 EHADRM C[C@@H]1CSC(SCCOc2ccc(C(=O)[O-])cc2Cl)=N1 ZINC000833632154 605149721 /nfs/dbraw/zinc/14/97/21/605149721.db2.gz TXZSBFFHBOPXBA-MRVPVSSYSA-N -1 0 331.846 3.642 20 0 EHADRM C[C@@H](SCCOc1ccccc1C(=O)[O-])C(=O)Nc1ccccc1 ZINC000833543109 605159798 /nfs/dbraw/zinc/15/97/98/605159798.db2.gz OBPDENSCKKTTKD-CYBMUJFWSA-N -1 0 345.420 3.524 20 0 EHADRM C[C@H]1CCC[C@H](OCCCCCC(=O)Nc2cc(C(=O)[O-])ccn2)C1 ZINC000833608842 605162017 /nfs/dbraw/zinc/16/20/17/605162017.db2.gz QAJSXYXQHGMBRV-HOCLYGCPSA-N -1 0 348.443 3.874 20 0 EHADRM Cc1ccc(F)c(C(=O)Oc2ccc(SCC(=O)[O-])cc2)c1F ZINC000833749226 605167858 /nfs/dbraw/zinc/16/78/58/605167858.db2.gz FOHIHBDRRQRIRK-UHFFFAOYSA-N -1 0 338.331 3.669 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000262865229 605171567 /nfs/dbraw/zinc/17/15/67/605171567.db2.gz VWPGONSOTFNTAU-SFHVURJKSA-N -1 0 341.382 3.650 20 0 EHADRM CC1=C(C(=O)[O-])[C@H](c2ccc(Sc3ccccc3)cc2)NC(=O)N1 ZINC000833576176 605190033 /nfs/dbraw/zinc/19/00/33/605190033.db2.gz HLZZPCFFSHOJII-INIZCTEOSA-N -1 0 340.404 3.550 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)OCc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000833604863 605195326 /nfs/dbraw/zinc/19/53/26/605195326.db2.gz HMEDHZHIJXVIJR-SMDDNHRTSA-N -1 0 329.352 3.519 20 0 EHADRM Cc1ccc(-c2nc(C(=O)O[C@@H](CC(C)(C)C)C(=O)[O-])cs2)o1 ZINC000833746695 605231562 /nfs/dbraw/zinc/23/15/62/605231562.db2.gz NSWILIMJLDUJEX-LBPRGKRZSA-N -1 0 337.397 3.758 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000262897183 605232345 /nfs/dbraw/zinc/23/23/45/605232345.db2.gz ZOOSPJISFGIKLU-OAHLLOKOSA-N -1 0 341.407 3.748 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)c1csc(Cc2ccccc2)n1)C(=O)[O-] ZINC000833430637 605235436 /nfs/dbraw/zinc/23/54/36/605235436.db2.gz YFQZYJSQBDRBBK-AWEZNQCLSA-N -1 0 347.436 3.780 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)c1cnc(-c2ccccc2)s1)C(=O)[O-] ZINC000833428930 605235493 /nfs/dbraw/zinc/23/54/93/605235493.db2.gz CJRMJZACRPTTOA-LBPRGKRZSA-N -1 0 333.409 3.856 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)c1ccc(Oc2cccnc2)cc1)C(=O)[O-] ZINC000833430277 605235531 /nfs/dbraw/zinc/23/55/31/605235531.db2.gz UVUCKDKQVMEHGN-INIZCTEOSA-N -1 0 343.379 3.920 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000826582148 605239054 /nfs/dbraw/zinc/23/90/54/605239054.db2.gz WDBZUFSTZBHCRT-UHFFFAOYSA-N -1 0 334.351 3.726 20 0 EHADRM COc1c(F)cc(NCc2cccc3c2N(C(=O)[O-])CC3)cc1F ZINC000829073170 605240978 /nfs/dbraw/zinc/24/09/78/605240978.db2.gz XTMMEFQLPCLNSV-UHFFFAOYSA-N -1 0 334.322 3.626 20 0 EHADRM COc1ccc(NCc2c[nH]nc2-c2ccc(C)o2)cc1NC(=O)[O-] ZINC000829480297 605244654 /nfs/dbraw/zinc/24/46/54/605244654.db2.gz VNAZNUNGJUMBRM-UHFFFAOYSA-N -1 0 342.355 3.689 20 0 EHADRM O=C([O-])N1CCc2cccc(CNc3ccc(Cn4cccn4)cc3)c21 ZINC000832086135 605245094 /nfs/dbraw/zinc/24/50/94/605245094.db2.gz BECSBJDXZAWCCY-UHFFFAOYSA-N -1 0 348.406 3.584 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC000833461563 605253628 /nfs/dbraw/zinc/25/36/28/605253628.db2.gz FPGTTWFOYFTKEG-UHFFFAOYSA-N -1 0 332.787 3.641 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000833452093 605261353 /nfs/dbraw/zinc/26/13/53/605261353.db2.gz ZLICSRDCIHROHH-AWEZNQCLSA-N -1 0 325.355 3.519 20 0 EHADRM Cc1coc(-c2cc(NC[C@@H]3CCCN(C(=O)[O-])C3)ccc2C)n1 ZINC000830650610 605261372 /nfs/dbraw/zinc/26/13/72/605261372.db2.gz NQHMUUGPEVBWQZ-AWEZNQCLSA-N -1 0 329.400 3.760 20 0 EHADRM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc(C(=O)[O-])no1 ZINC000833547374 605263179 /nfs/dbraw/zinc/26/31/79/605263179.db2.gz CJRYTIDKBQLSBG-SSDOTTSWSA-N -1 0 343.166 3.513 20 0 EHADRM C[C@@H](Nc1ccc(NC(=O)[O-])c(F)c1)C(=O)N[C@H](C)c1ccccc1 ZINC000833527354 605263633 /nfs/dbraw/zinc/26/36/33/605263633.db2.gz YCAONPDEUIZQCW-VXGBXAGGSA-N -1 0 345.374 3.593 20 0 EHADRM O=C([O-])N(CC(=O)N1CCC[C@H]1c1ccsc1)c1ccccc1 ZINC000831821919 605265249 /nfs/dbraw/zinc/26/52/49/605265249.db2.gz ZNCLTTGLVRIKFM-HNNXBMFYSA-N -1 0 330.409 3.596 20 0 EHADRM CC(C)(C)OC(=O)c1cccc(/C=C(/C(=O)[O-])c2ccncc2)c1 ZINC000833444515 605288157 /nfs/dbraw/zinc/28/81/57/605288157.db2.gz WXKUEGQWCAMNPG-FOWTUZBSSA-N -1 0 325.364 3.662 20 0 EHADRM CC(C)(C)OC(=O)c1cccc(/C=C(\C(=O)[O-])c2ccncc2)c1 ZINC000833444516 605288228 /nfs/dbraw/zinc/28/82/28/605288228.db2.gz WXKUEGQWCAMNPG-VBKFSLOCSA-N -1 0 325.364 3.662 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)CN(C(=O)[O-])c2ccccc2)c1 ZINC000828831142 605289708 /nfs/dbraw/zinc/28/97/08/605289708.db2.gz OYDZKFZKNLFGGT-ZDUSSCGKSA-N -1 0 328.368 3.517 20 0 EHADRM COc1ccc(CCCC(=O)OCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000833731824 605302635 /nfs/dbraw/zinc/30/26/35/605302635.db2.gz NCRDLTAFVYHCJB-UHFFFAOYSA-N -1 0 343.379 3.851 20 0 EHADRM CC(C)Cn1ncc(NCc2ccc(OCC(=O)[O-])cc2)c1C(C)C ZINC000833492575 605306743 /nfs/dbraw/zinc/30/67/43/605306743.db2.gz FGWFUSCJEBKMDF-UHFFFAOYSA-N -1 0 345.443 3.738 20 0 EHADRM C[C@@H](Cc1noc([C@H](C)SCc2ccccc2)n1)N(C)C(=O)[O-] ZINC000825623124 605312715 /nfs/dbraw/zinc/31/27/15/605312715.db2.gz GVAYDCDEXYBJTD-RYUDHWBXSA-N -1 0 335.429 3.605 20 0 EHADRM C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000833608601 605361883 /nfs/dbraw/zinc/36/18/83/605361883.db2.gz NNCRZRFZCHKJMV-CHWSQXEVSA-N -1 0 327.380 3.678 20 0 EHADRM O=C([O-])Nc1cccc(COC(=O)C=Cc2ccnc(Cl)c2)c1 ZINC000834269837 605376757 /nfs/dbraw/zinc/37/67/57/605376757.db2.gz SWXJPLSZPABGFQ-PLNGDYQASA-N -1 0 332.743 3.582 20 0 EHADRM O=C([O-])N1CCC(CSCc2csc(-c3ccccn3)n2)CC1 ZINC000834083644 605412953 /nfs/dbraw/zinc/41/29/53/605412953.db2.gz YIISZLFNLMILEH-UHFFFAOYSA-N -1 0 349.481 3.828 20 0 EHADRM Cc1ccc(-c2[nH]nc(NC(=O)c3ccc(NC(=O)[O-])cc3)c2C)o1 ZINC000830154836 605418522 /nfs/dbraw/zinc/41/85/22/605418522.db2.gz JRRMKZATOHTYHU-UHFFFAOYSA-N -1 0 340.339 3.629 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000833385843 605422800 /nfs/dbraw/zinc/42/28/00/605422800.db2.gz VWIKSLRFBIISHZ-KAMYIIQDSA-N -1 0 325.364 3.500 20 0 EHADRM CCN(Cc1cccc(NC(=O)/C=C/c2cncc(C)c2)c1)C(=O)[O-] ZINC000827168170 605426258 /nfs/dbraw/zinc/42/62/58/605426258.db2.gz UZLXFWIVEKOQHF-BQYQJAHWSA-N -1 0 339.395 3.542 20 0 EHADRM O=C([O-])N1CC[C@@H](CNC(=O)N(c2ccccc2)c2ccccc2)C1 ZINC000834080046 605429367 /nfs/dbraw/zinc/42/93/67/605429367.db2.gz ZOSLXPNQRVPODJ-HNNXBMFYSA-N -1 0 339.395 3.534 20 0 EHADRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=S)Nc1ccc2ccccc2c1 ZINC000825844223 605451804 /nfs/dbraw/zinc/45/18/04/605451804.db2.gz HZIJHHWAEZWNHR-MLGOLLRUSA-N -1 0 343.452 3.657 20 0 EHADRM CC(C)CCO[C@H](C)C(=O)O[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833483348 605505834 /nfs/dbraw/zinc/50/58/34/605505834.db2.gz ISQYGPMJFRDQCF-QMTHXVAHSA-N -1 0 346.782 3.599 20 0 EHADRM CCO[C@H](C(=O)OCc1cccc(NC(=O)[O-])c1)c1ccccc1 ZINC000827361819 605544695 /nfs/dbraw/zinc/54/46/95/605544695.db2.gz KYLAYJNQLHBYNF-INIZCTEOSA-N -1 0 329.352 3.598 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N[C@@H]2CCCC(F)(F)C2)cc1 ZINC000825427703 605547960 /nfs/dbraw/zinc/54/79/60/605547960.db2.gz YBUJPCMYFVJUFA-GXFFZTMASA-N -1 0 341.358 3.715 20 0 EHADRM Cc1nc(Cl)sc1C(=O)OCc1cccc(NC(=O)[O-])c1 ZINC000830764117 605550925 /nfs/dbraw/zinc/55/09/25/605550925.db2.gz ICJKDPHMHJHQDC-UHFFFAOYSA-N -1 0 326.761 3.552 20 0 EHADRM Cc1cc(Br)cc(NC(=O)C2=CCCC2)c1NC(=O)[O-] ZINC000833899115 605567751 /nfs/dbraw/zinc/56/77/51/605567751.db2.gz YXALSJCAFFOOCE-UHFFFAOYSA-N -1 0 339.189 3.896 20 0 EHADRM Cc1cc(C(=O)Nc2nc3ccccc3s2)ccc1NC(=O)[O-] ZINC000829972296 605568559 /nfs/dbraw/zinc/56/85/59/605568559.db2.gz XLRCVGYBQLKHHR-UHFFFAOYSA-N -1 0 327.365 3.947 20 0 EHADRM Cc1cc(C(=O)Nc2ccnn2C2CCCC2)ccc1NC(=O)[O-] ZINC000829972172 605578114 /nfs/dbraw/zinc/57/81/14/605578114.db2.gz WERHWISYOGVGQT-UHFFFAOYSA-N -1 0 328.372 3.649 20 0 EHADRM Cn1c2ccc(NCc3ccc(NC(=O)[O-])nc3)cc2nc1C1CC1 ZINC000833940530 605583837 /nfs/dbraw/zinc/58/38/37/605583837.db2.gz ATCVJHNNUZWXDB-UHFFFAOYSA-N -1 0 337.383 3.548 20 0 EHADRM CCOc1cc(F)ccc1NC(=O)C[C@@H](NC(=O)[O-])c1ccccc1 ZINC000827418589 605589976 /nfs/dbraw/zinc/58/99/76/605589976.db2.gz PZKIAXCFYRWNAN-OAHLLOKOSA-N -1 0 346.358 3.562 20 0 EHADRM COc1ccc([C@@H](C)N(C)C(=O)c2ccc(NC(=O)[O-])c(C)c2)cc1 ZINC000829303676 605591086 /nfs/dbraw/zinc/59/10/86/605591086.db2.gz QXGFEXLDCWLWFR-CYBMUJFWSA-N -1 0 342.395 3.927 20 0 EHADRM COc1cccc([C@H](C)NC(=O)c2ccc(NC(=O)[O-])c(C)c2)c1 ZINC000829543821 605595851 /nfs/dbraw/zinc/59/58/51/605595851.db2.gz PTKPUFBSRKGQLO-LBPRGKRZSA-N -1 0 328.368 3.585 20 0 EHADRM O=C([O-])Nc1ccc(Cc2nc(C(=O)O[C@@H]3C=CCC3)cs2)cc1 ZINC000834259602 605596784 /nfs/dbraw/zinc/59/67/84/605596784.db2.gz BEAUXSFGLIPFIF-CYBMUJFWSA-N -1 0 344.392 3.699 20 0 EHADRM Cc1cc(C(=O)NCc2ccc([C@H]3C[C@@H]3C)o2)ccc1NC(=O)[O-] ZINC000829956654 605627676 /nfs/dbraw/zinc/62/76/76/605627676.db2.gz KFBIOJUUKLJLNM-HZMBPMFUSA-N -1 0 328.368 3.731 20 0 EHADRM Cc1occc1-c1nnc(SCc2cccc(NC(=O)[O-])c2)n1C ZINC000833938960 605637247 /nfs/dbraw/zinc/63/72/47/605637247.db2.gz PPLYIMLWUHMDGU-UHFFFAOYSA-N -1 0 344.396 3.766 20 0 EHADRM CC1(C)CCC(=CC(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)CC1 ZINC000833558293 605639488 /nfs/dbraw/zinc/63/94/88/605639488.db2.gz VXPIUPNEIFDDQL-UHFFFAOYSA-N -1 0 342.439 3.800 20 0 EHADRM Cc1cc(C(=O)N[C@H]2CCc3c2cccc3F)ccc1NC(=O)[O-] ZINC000829941244 605640145 /nfs/dbraw/zinc/64/01/45/605640145.db2.gz SOCGYJLDQOMHTK-INIZCTEOSA-N -1 0 328.343 3.641 20 0 EHADRM CCC[C@H](NC(=O)c1ccc(NC(=O)[O-])c(C)c1)c1ccccn1 ZINC000826765653 605678055 /nfs/dbraw/zinc/67/80/55/605678055.db2.gz TWXDYITXEQFDAA-INIZCTEOSA-N -1 0 327.384 3.751 20 0 EHADRM O=C([O-])N1CCC[C@H](Nc2cccc(NC(=O)c3cccs3)c2)C1 ZINC000834053987 605692652 /nfs/dbraw/zinc/69/26/52/605692652.db2.gz OVHORCSYUPVCBD-AWEZNQCLSA-N -1 0 345.424 3.555 20 0 EHADRM O=C([O-])NC1CCC(Nc2cccc(OCc3cccnc3)c2)CC1 ZINC000834168141 605693667 /nfs/dbraw/zinc/69/36/67/605693667.db2.gz NCESARFCPDUPLB-UHFFFAOYSA-N -1 0 341.411 3.651 20 0 EHADRM Cc1cc(C(=O)NC[C@@H](C)Cc2cccs2)ccc1NC(=O)[O-] ZINC000829945200 605702520 /nfs/dbraw/zinc/70/25/20/605702520.db2.gz IQXGOPGDIRPUMT-NSHDSACASA-N -1 0 332.425 3.755 20 0 EHADRM Cc1cc(C(=O)N(CC(F)(F)F)C2CCC2)ccc1NC(=O)[O-] ZINC000829914665 605707693 /nfs/dbraw/zinc/70/76/93/605707693.db2.gz SGJGSGKSGDZNTM-UHFFFAOYSA-N -1 0 330.306 3.642 20 0 EHADRM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000833604777 605713732 /nfs/dbraw/zinc/71/37/32/605713732.db2.gz GNBPPYLJSNHBEI-RKDXNWHRSA-N -1 0 348.296 3.719 20 0 EHADRM Cc1cc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)ccc1NC(=O)[O-] ZINC000829940415 605716536 /nfs/dbraw/zinc/71/65/36/605716536.db2.gz MRUBPULAZCFTKM-HNNXBMFYSA-N -1 0 346.427 3.697 20 0 EHADRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000825808095 605724592 /nfs/dbraw/zinc/72/45/92/605724592.db2.gz HQUGYTRZKGPUSH-YOEHRIQHSA-N -1 0 346.471 3.564 20 0 EHADRM CCOc1ccc([C@@H](NC(=O)CCCC(=O)[O-])c2ccccc2)cc1 ZINC000833664379 605760523 /nfs/dbraw/zinc/76/05/23/605760523.db2.gz VCVOFKCCHLPWSD-FQEVSTJZSA-N -1 0 341.407 3.546 20 0 EHADRM CCCCCOc1ccc(C(=O)N2CC[C@@H](NC(=O)[O-])C[C@H]2C)cc1 ZINC000826826080 605775799 /nfs/dbraw/zinc/77/57/99/605775799.db2.gz OFJLMPCOLFQJDV-GDBMZVCRSA-N -1 0 348.443 3.516 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)Oc2ccc(CC(=O)[O-])cc2F)cc1 ZINC000833671093 605797382 /nfs/dbraw/zinc/79/73/82/605797382.db2.gz SDVUUJXOMAQGDB-GFCCVEGCSA-N -1 0 330.355 3.724 20 0 EHADRM O=C([O-])N[C@H]1C[C@@H](NC2(c3ccccc3F)CC2)c2ccccc21 ZINC000834159236 605811136 /nfs/dbraw/zinc/81/11/36/605811136.db2.gz OMOYKNSAFJKYMV-DLBZAZTESA-N -1 0 326.371 3.858 20 0 EHADRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)C(C)(C)CCCc1ccccc1 ZINC000825803192 605851691 /nfs/dbraw/zinc/85/16/91/605851691.db2.gz ZANMXROIAZTZSO-RDJZCZTQSA-N -1 0 346.471 3.683 20 0 EHADRM C[C@@H](OC(=O)c1cc(C(=O)[O-])no1)c1ccccc1-c1ccccc1 ZINC000833530123 605902072 /nfs/dbraw/zinc/90/20/72/605902072.db2.gz AGUPPJGQXYVIGW-GFCCVEGCSA-N -1 0 337.331 3.958 20 0 EHADRM O=C([O-])NC[C@@H](NC(=O)N(c1ccccc1)c1ccccc1)C1CC1 ZINC000834204228 605954109 /nfs/dbraw/zinc/95/41/09/605954109.db2.gz CIENKQSEVRIMLO-QGZVFWFLSA-N -1 0 339.395 3.581 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)Nc2c(F)cc(Cl)cc2F)cc1 ZINC000834248823 605973759 /nfs/dbraw/zinc/97/37/59/605973759.db2.gz JLOALDDPPCNQNW-UHFFFAOYSA-N -1 0 340.713 3.638 20 0 EHADRM Cc1nc(CCNC(=O)Nc2cc(NC(=O)[O-])ccc2C)sc1C ZINC000833906950 606012428 /nfs/dbraw/zinc/01/24/28/606012428.db2.gz SVCFOGROGUECNU-UHFFFAOYSA-N -1 0 348.428 3.522 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)NC1CCC(C(F)(F)F)CC1 ZINC000834272910 606044942 /nfs/dbraw/zinc/04/49/42/606044942.db2.gz RWZAAANPEUDPJS-UHFFFAOYSA-N -1 0 344.333 3.556 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC000834270658 606050030 /nfs/dbraw/zinc/05/00/30/606050030.db2.gz KXABGJJNCIUFSV-QGZVFWFLSA-N -1 0 342.370 3.822 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N[C@H]1CCCCc2ccccc21 ZINC000834271781 606057802 /nfs/dbraw/zinc/05/78/02/606057802.db2.gz LLRDGTXORRRQAJ-SFHVURJKSA-N -1 0 338.407 3.903 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000834271789 606067839 /nfs/dbraw/zinc/06/78/39/606067839.db2.gz LOWXNWJJOGNNJG-CQSZACIVSA-N -1 0 344.333 3.556 20 0 EHADRM Cc1ccncc1/C=C/c1nc([C@@H]2CCCCCN2C(=O)[O-])no1 ZINC000833909227 606076297 /nfs/dbraw/zinc/07/62/97/606076297.db2.gz CDAARVIVVYPQPB-UZYOAWRESA-N -1 0 328.372 3.539 20 0 EHADRM Cc1ccncc1/C=C/c1nc([C@H]2CCCCCN2C(=O)[O-])no1 ZINC000833909226 606076303 /nfs/dbraw/zinc/07/63/03/606076303.db2.gz CDAARVIVVYPQPB-PSKZRQQASA-N -1 0 328.372 3.539 20 0 EHADRM Cc1ccc(CSc2c3ccccc3nnc2-c2nnn[n-]2)cc1C ZINC000822239810 606946662 /nfs/dbraw/zinc/94/66/62/606946662.db2.gz FLNMQFGIEKOCFJ-UHFFFAOYSA-N -1 0 348.435 3.719 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)N[C@H](C(=O)[O-])c2ccccc2F)c1C ZINC000684735203 939037103 /nfs/dbraw/zinc/03/71/03/939037103.db2.gz IZIBXUAYRXGYJK-DYVFJYSZSA-N -1 0 344.386 3.629 20 0 EHADRM C[C@H](C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000192904347 939038948 /nfs/dbraw/zinc/03/89/48/939038948.db2.gz XUNYBNTYVIICBH-BONVTDFDSA-N -1 0 335.762 3.525 20 0 EHADRM CC[C@@H](CC(=O)N[C@H](C(=O)[O-])c1ccccc1)c1ccc(OC)cc1 ZINC000192861603 939039010 /nfs/dbraw/zinc/03/90/10/939039010.db2.gz ZAJKBDYNJXTHPT-LIRRHRJNSA-N -1 0 341.407 3.521 20 0 EHADRM CC[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccccc1)c1ccc(OC)cc1 ZINC000192861629 939039060 /nfs/dbraw/zinc/03/90/60/939039060.db2.gz ZAJKBDYNJXTHPT-IFXJQAMLSA-N -1 0 341.407 3.521 20 0 EHADRM CC(C)c1cccc(NC(=O)N[C@@]2(C(=O)[O-])CCc3ccccc32)c1 ZINC000684741525 939043040 /nfs/dbraw/zinc/04/30/40/939043040.db2.gz JLDJXRMSNYLZNS-FQEVSTJZSA-N -1 0 338.407 3.858 20 0 EHADRM Cc1nc(-c2ccccc2)sc1C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000237710037 939048514 /nfs/dbraw/zinc/04/85/14/939048514.db2.gz JJMWCJALAXLDMW-UHFFFAOYSA-N -1 0 344.436 3.636 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1cccc(C(F)F)c1)c1ccccc1F ZINC000684746989 939049466 /nfs/dbraw/zinc/04/94/66/939049466.db2.gz BHBAEGUIARFXTI-ZDUSSCGKSA-N -1 0 338.285 3.711 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(-c2ccccc2F)o1)c1ccccc1 ZINC000238019939 939055268 /nfs/dbraw/zinc/05/52/68/939055268.db2.gz LWOCSITYWIUPFN-KRWDZBQOSA-N -1 0 339.322 3.641 20 0 EHADRM O=C([O-])C1(NC(=O)c2[nH]c3ccccc3c2Cl)CCCCCC1 ZINC000262271960 939063828 /nfs/dbraw/zinc/06/38/28/939063828.db2.gz WQDHUKYHGZKNEO-UHFFFAOYSA-N -1 0 334.803 3.729 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000314955595 939120863 /nfs/dbraw/zinc/12/08/63/939120863.db2.gz TZMCGTCGASOAMK-CYBMUJFWSA-N -1 0 339.178 3.941 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)CCCC1 ZINC000326751892 939127229 /nfs/dbraw/zinc/12/72/29/939127229.db2.gz GTRQPTCOTQIYJA-UHFFFAOYSA-N -1 0 336.391 3.777 20 0 EHADRM CCc1ccc(C(=O)CCC(=O)NC2(C(=O)[O-])CCCCCC2)cc1 ZINC000347720946 939129055 /nfs/dbraw/zinc/12/90/55/939129055.db2.gz PVLCJTWYUACEID-UHFFFAOYSA-N -1 0 345.439 3.506 20 0 EHADRM Cc1ccc([C@H](NC(=O)NC[C@@H](C)c2ccccc2)C(=O)[O-])cc1C ZINC000797704543 939161106 /nfs/dbraw/zinc/16/11/06/939161106.db2.gz YCVGAQLWLKDYTB-QAPCUYQASA-N -1 0 340.423 3.532 20 0 EHADRM COc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)c(C)c1 ZINC000431859434 939163162 /nfs/dbraw/zinc/16/31/62/939163162.db2.gz GEANUCAQGRXSSJ-IBGZPJMESA-N -1 0 349.386 3.713 20 0 EHADRM CC[C@H](NC(=O)NC1(C(=O)[O-])CCCCCC1)c1ccccc1OC ZINC000797706974 939164658 /nfs/dbraw/zinc/16/46/58/939164658.db2.gz HQWXZQMSDPZBGQ-HNNXBMFYSA-N -1 0 348.443 3.623 20 0 EHADRM CCC[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccc(OC(F)F)cc1)C(C)C ZINC000450514432 939207648 /nfs/dbraw/zinc/20/76/48/939207648.db2.gz ZWWJYMVYFUQUFI-KGLIPLIRSA-N -1 0 343.370 3.602 20 0 EHADRM CC[C@@](NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507309565 939233700 /nfs/dbraw/zinc/23/37/00/939233700.db2.gz DESPDPDHSJGYLM-BORJPKMPSA-N -1 0 335.831 3.582 20 0 EHADRM C[C@@](NC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)(C(=O)[O-])c1ccccc1 ZINC000864115314 939247462 /nfs/dbraw/zinc/24/74/62/939247462.db2.gz RFYFHJOXMGHOFN-LZJOCLMNSA-N -1 0 337.419 3.687 20 0 EHADRM CC[C@@H](C)c1cccc(NC(=O)N[C@@H](C(=O)[O-])c2cccnc2)c1 ZINC000864582918 939259178 /nfs/dbraw/zinc/25/91/78/939259178.db2.gz IMXLSTZJHOBKCN-MLGOLLRUSA-N -1 0 327.384 3.543 20 0 EHADRM COc1cccc(NC(=O)N[C@H](C(=O)[O-])c2cccc(C)c2C)c1C ZINC000900329994 939275226 /nfs/dbraw/zinc/27/52/26/939275226.db2.gz DESXJCBJSNDVDB-KRWDZBQOSA-N -1 0 342.395 3.568 20 0 EHADRM CC[C@@H](CC(=O)N[C@H](C(=O)[O-])c1ccsc1)c1ccc(OC)cc1 ZINC000563451570 939339194 /nfs/dbraw/zinc/33/91/94/939339194.db2.gz VRMDCECIHOOFBW-SJCJKPOMSA-N -1 0 347.436 3.583 20 0 EHADRM CCc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccsc2)cc1CC ZINC000565812397 939351478 /nfs/dbraw/zinc/35/14/78/939351478.db2.gz LPIMOZYLMFTWTA-OAHLLOKOSA-N -1 0 332.425 3.820 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2ncc(-c3ccccc3)s2)CCCCC1 ZINC000569785925 939378411 /nfs/dbraw/zinc/37/84/11/939378411.db2.gz AYGUCOJCRPSMRG-UHFFFAOYSA-N -1 0 345.424 3.719 20 0 EHADRM Cc1cc(F)cc(NC(=O)N[C@H](C(=O)[O-])c2ccc(C)c(C)c2)c1 ZINC000569890624 939379045 /nfs/dbraw/zinc/37/90/45/939379045.db2.gz QXADYSYOHQSWOI-INIZCTEOSA-N -1 0 330.359 3.698 20 0 EHADRM CCOc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2C)cc1 ZINC000570353492 939382803 /nfs/dbraw/zinc/38/28/03/939382803.db2.gz FCGDKMJGCUDVRS-QGZVFWFLSA-N -1 0 342.395 3.650 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)N[C@@H](C(=O)[O-])c1ccsc1 ZINC000572857104 939402984 /nfs/dbraw/zinc/40/29/84/939402984.db2.gz NLRPZMZUEPMBCW-ZIAGYGMSSA-N -1 0 335.450 3.561 20 0 EHADRM CCOc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)cc1 ZINC000573997496 939723544 /nfs/dbraw/zinc/72/35/44/939723544.db2.gz SSUBEMOZVVBYJY-QGZVFWFLSA-N -1 0 342.395 3.650 20 0 EHADRM CO[C@@H]1CCC[C@H]([C@H](NC(=O)Nc2ccc(C(C)C)cc2)C(=O)[O-])C1 ZINC000576350578 939738747 /nfs/dbraw/zinc/73/87/47/939738747.db2.gz KYROLOYQBIQBEC-UAGQMJEPSA-N -1 0 348.443 3.590 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000578091818 939751513 /nfs/dbraw/zinc/75/15/13/939751513.db2.gz ADQYIDZKGWWQSZ-CYBMUJFWSA-N -1 0 344.411 3.889 20 0 EHADRM CC[C@H](NC(=O)N[C@@H](C(=O)[O-])c1ccccc1)c1ccc(C)cc1 ZINC000578163127 939752154 /nfs/dbraw/zinc/75/21/54/939752154.db2.gz UYPNQTWKZOJNGL-DLBZAZTESA-N -1 0 326.396 3.571 20 0 EHADRM CC1(C)CCC[C@@](NC(=O)c2ccsc2C(F)F)(C(=O)[O-])C1 ZINC000923099389 939785692 /nfs/dbraw/zinc/78/56/92/939785692.db2.gz XZFPGVXNDDLJJM-HNNXBMFYSA-N -1 0 331.384 3.839 20 0 EHADRM C[C@](NC(=O)Nc1cccc(-c2cccs2)c1)(C(=O)[O-])C1CC1 ZINC000584013055 939794766 /nfs/dbraw/zinc/79/47/66/939794766.db2.gz WNNADXUHXSXRPE-QGZVFWFLSA-N -1 0 330.409 3.790 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)N[C@@H](C(=O)[O-])c2ccsc2)c(C)s1 ZINC000584506923 939798478 /nfs/dbraw/zinc/79/84/78/939798478.db2.gz BXXGMIKZVBTGGX-NOZJJQNGSA-N -1 0 338.454 3.613 20 0 EHADRM CSCc1ccc(NC(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)cc1 ZINC000594669512 939801935 /nfs/dbraw/zinc/80/19/35/939801935.db2.gz CFVGIXASMBEEMC-QASKLWRZSA-N -1 0 336.457 3.705 20 0 EHADRM Cc1cc(C(F)F)oc1C(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC000630190943 939815764 /nfs/dbraw/zinc/81/57/64/939815764.db2.gz RMQBZQQZKZGJSJ-GFCCVEGCSA-N -1 0 341.285 3.529 20 0 EHADRM CC1(C)CCC[C@](NC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)(C(=O)[O-])C1 ZINC000630247880 939820409 /nfs/dbraw/zinc/82/04/09/939820409.db2.gz KPBPZUBCFPEANA-AFAVFJNCSA-N -1 0 343.414 3.742 20 0 EHADRM CO[C@@H]1CCC[C@H]([C@H](NC(=O)CCC2CCCCCC2)C(=O)[O-])C1 ZINC000656246626 939843133 /nfs/dbraw/zinc/84/31/33/939843133.db2.gz SMXMXTXAEUODGT-JZXOWHBKSA-N -1 0 339.476 3.512 20 0 EHADRM Cc1cc2cc(NC(=O)N[C@@]3(C(=O)[O-])CC[C@H](C)CC3)ccc2[nH]1 ZINC000656504979 939843712 /nfs/dbraw/zinc/84/37/12/939843712.db2.gz WNUDIQYKCPHCFU-CKSWESSHSA-N -1 0 329.400 3.631 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@H](C(=O)[O-])C3CCCC3)c2)cs1 ZINC000663029586 939850542 /nfs/dbraw/zinc/85/05/42/939850542.db2.gz AHPWVJDOWJVREO-MRXNPFEDSA-N -1 0 344.436 3.948 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000678985885 939869003 /nfs/dbraw/zinc/86/90/03/939869003.db2.gz CFSCPJHPHLJFKA-INIZCTEOSA-N -1 0 329.371 3.679 20 0 EHADRM Cc1c(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)cccc1C(F)(F)F ZINC000663079659 939853107 /nfs/dbraw/zinc/85/31/07/939853107.db2.gz MFXUKFALKULOJY-ZDUSSCGKSA-N -1 0 329.318 3.843 20 0 EHADRM C[C@@H](Nc1ccc(NC(=O)[C@@H](C(=O)[O-])C2CC2)cc1)c1ccccc1 ZINC000663096373 939854556 /nfs/dbraw/zinc/85/45/56/939854556.db2.gz LVMUGUKFMRWPKO-ACJLOTCBSA-N -1 0 338.407 3.909 20 0 EHADRM C[C@@](NC(=O)CCc1ccc2ccccc2c1)(C(=O)[O-])c1ccccc1 ZINC000675979175 939864089 /nfs/dbraw/zinc/86/40/89/939864089.db2.gz CPUJSVNNZRGNMN-QFIPXVFZSA-N -1 0 347.414 3.889 20 0 EHADRM O=C([O-])[C@@]1(NC(=O)CC/C=C\c2ccccc2)CCc2ccccc21 ZINC000675990272 939867322 /nfs/dbraw/zinc/86/73/22/939867322.db2.gz VABBDCZGDGYACU-NDOHBSCOSA-N -1 0 335.403 3.523 20 0 EHADRM O=C([O-])[C@H](NC(=O)NCc1csc2ccccc12)c1ccsc1 ZINC000684723103 939872585 /nfs/dbraw/zinc/87/25/85/939872585.db2.gz RQZVUXOUOABBHD-CQSZACIVSA-N -1 0 346.433 3.588 20 0 EHADRM CC[C@H](NC(=O)N[C@H](C(=O)[O-])c1ccccc1F)c1ccc(C)cc1 ZINC000684727855 939873462 /nfs/dbraw/zinc/87/34/62/939873462.db2.gz BIEPUAXIUICSLY-IRXDYDNUSA-N -1 0 344.386 3.710 20 0 EHADRM CC(C)(C)c1csc(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)n1 ZINC000321451096 970773292 /nfs/dbraw/zinc/77/32/92/970773292.db2.gz QDGBXSNBSQDYEF-CQSZACIVSA-N -1 0 330.453 3.625 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)NCc2cccc(Cl)c2)cc1F ZINC000321632337 970791262 /nfs/dbraw/zinc/79/12/62/970791262.db2.gz JDBJCBWAROIKTF-UHFFFAOYSA-N -1 0 340.713 3.638 20 0 EHADRM C[C@@H]1CCC[C@H](N(C)C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C1 ZINC000322037015 970839382 /nfs/dbraw/zinc/83/93/82/970839382.db2.gz FYRGAVGRZWPIFH-KOLCDFICSA-N -1 0 326.343 3.705 20 0 EHADRM C[C@@H](Cc1cccs1)N(C)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000322044344 970840808 /nfs/dbraw/zinc/84/08/08/970840808.db2.gz XIVGERQWNORYJN-JTQLQIEISA-N -1 0 336.388 3.680 20 0 EHADRM O=C([O-])CC1(NC(=O)C2CCC(C(F)(F)F)CC2)CCCCC1 ZINC000322087980 970846331 /nfs/dbraw/zinc/84/63/31/970846331.db2.gz GXQLMZXVDRSQJW-UHFFFAOYSA-N -1 0 335.366 3.649 20 0 EHADRM Cc1nc(C(=O)NC[C@H](CC(C)C)C(=O)[O-])c(-c2ccccc2)s1 ZINC001600684137 970846520 /nfs/dbraw/zinc/84/65/20/970846520.db2.gz TUEZFXKCTGIROZ-AWEZNQCLSA-N -1 0 346.452 3.595 20 0 EHADRM O=C([O-])c1ccc(CNc2ccccc2OCC(F)(F)F)cc1 ZINC000322211343 970860352 /nfs/dbraw/zinc/86/03/52/970860352.db2.gz ULBYYYNPVCZJSB-UHFFFAOYSA-N -1 0 325.286 3.938 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc([N+](=O)[O-])c1 ZINC000322309396 970870587 /nfs/dbraw/zinc/87/05/87/970870587.db2.gz XTWCFHWHGHHWFO-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM COc1ccccc1SCc1nnc(-c2cccc(C(=O)[O-])c2)o1 ZINC001611070160 970877095 /nfs/dbraw/zinc/87/70/95/970877095.db2.gz DYILTHBCTQVCSQ-UHFFFAOYSA-N -1 0 342.376 3.736 20 0 EHADRM Cc1cc(C(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])c(C)n1Cc1ccco1 ZINC001611128472 970903248 /nfs/dbraw/zinc/90/32/48/970903248.db2.gz LIIZQMFDMWHRAY-OLZOCXBDSA-N -1 0 335.425 3.524 20 0 EHADRM Cc1cc(Cl)ccc1OCC(=O)Nc1c(F)cccc1C(=O)[O-] ZINC000322970866 970952672 /nfs/dbraw/zinc/95/26/72/970952672.db2.gz YJRYZCCBKKYTSG-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000323156236 970971936 /nfs/dbraw/zinc/97/19/36/970971936.db2.gz PHVIFXNAPZDSOI-UHFFFAOYSA-N -1 0 329.783 3.545 20 0 EHADRM Cc1ccc(Cl)c(NC(=O)NCCc2ccccc2C(=O)[O-])c1 ZINC000323188836 970974238 /nfs/dbraw/zinc/97/42/38/970974238.db2.gz LXWZFQMXZRRATG-UHFFFAOYSA-N -1 0 332.787 3.711 20 0 EHADRM O=C([O-])[C@@H](NC(=O)/C(=C\c1ccccc1)C(F)(F)F)c1ccccc1 ZINC001601567693 971018513 /nfs/dbraw/zinc/01/85/13/971018513.db2.gz XLOZQPRLBCIZHI-GOFCXVBSSA-N -1 0 349.308 3.574 20 0 EHADRM CCOC1(CNC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CCCC1 ZINC000323895320 971053343 /nfs/dbraw/zinc/05/33/43/971053343.db2.gz XRKXJCNZGTVHFR-UHFFFAOYSA-N -1 0 340.807 3.509 20 0 EHADRM CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000323946376 971063200 /nfs/dbraw/zinc/06/32/00/971063200.db2.gz BSDYKDLEVZCYPN-GXSJLCMTSA-N -1 0 326.343 3.753 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)OCc1cccc(Cl)c1 ZINC001601869024 971085881 /nfs/dbraw/zinc/08/58/81/971085881.db2.gz LPUZZMGUYQLHIZ-MRXNPFEDSA-N -1 0 345.782 3.661 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1c1ccnc(CSc2ccccc2)n1 ZINC001601949519 971093192 /nfs/dbraw/zinc/09/31/92/971093192.db2.gz HMYHNVULLVTOHX-CQSZACIVSA-N -1 0 343.452 3.603 20 0 EHADRM CC[C@H](NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000324357486 971112022 /nfs/dbraw/zinc/11/20/22/971112022.db2.gz QERKHIMZZYUECB-KRWDZBQOSA-N -1 0 326.396 3.678 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc(F)c(C(F)(F)F)c1)C1CCCCC1 ZINC000324389848 971115775 /nfs/dbraw/zinc/11/57/75/971115775.db2.gz NEJJZZIPMGGQJC-CYBMUJFWSA-N -1 0 347.308 3.608 20 0 EHADRM Cc1cccc(CN(C)C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000324460058 971122785 /nfs/dbraw/zinc/12/27/85/971122785.db2.gz CLZXCUOWDSSHOW-UHFFFAOYSA-N -1 0 334.322 3.635 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000324584994 971136073 /nfs/dbraw/zinc/13/60/73/971136073.db2.gz HEIZDLJHVVDCSL-UHFFFAOYSA-N -1 0 345.223 3.934 20 0 EHADRM O=C([O-])CC1(CC(=O)NCc2ccc(C(F)(F)F)cc2)CCCC1 ZINC000324646539 971143250 /nfs/dbraw/zinc/14/32/50/971143250.db2.gz ASEMERVOJHYRDD-UHFFFAOYSA-N -1 0 343.345 3.747 20 0 EHADRM Cc1cc(C)cc(OCCC(=O)Nc2cccc(C(=O)[O-])c2C)c1 ZINC000324775450 971155837 /nfs/dbraw/zinc/15/58/37/971155837.db2.gz FXBPKALJOWCIPV-UHFFFAOYSA-N -1 0 327.380 3.718 20 0 EHADRM Cc1cc([C@H](C)NC(=O)Nc2ccc(OCC(=O)[O-])cc2)c(C)s1 ZINC000324940962 971171101 /nfs/dbraw/zinc/17/11/01/971171101.db2.gz QOKTZCWQEQNPIB-NSHDSACASA-N -1 0 348.424 3.711 20 0 EHADRM CSc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2C)cc1[N+](=O)[O-] ZINC000324941993 971171113 /nfs/dbraw/zinc/17/11/13/971171113.db2.gz XVFGEDONTQJEGV-UHFFFAOYSA-N -1 0 346.364 3.576 20 0 EHADRM CCCOc1cccc(C(=O)NCC2(CC(=O)[O-])CCCCC2)c1 ZINC000325059299 971181246 /nfs/dbraw/zinc/18/12/46/971181246.db2.gz WNDDGJSKAYLKOO-UHFFFAOYSA-N -1 0 333.428 3.630 20 0 EHADRM O=C([O-])CC1(CNC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)CCCCC1 ZINC000325266078 971199355 /nfs/dbraw/zinc/19/93/55/971199355.db2.gz PEZUZTVQIBOOCV-QWHCGFSZSA-N -1 0 349.393 3.897 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N(CC(F)(F)F)c1ccccc1 ZINC001602466855 971203808 /nfs/dbraw/zinc/20/38/08/971203808.db2.gz SPOGFYUPXAUQCF-UHFFFAOYSA-N -1 0 337.297 3.523 20 0 EHADRM Cc1cc(C)cc(OCCC(=O)Nc2c(F)cccc2C(=O)[O-])c1 ZINC000325358778 971208303 /nfs/dbraw/zinc/20/83/03/971208303.db2.gz HARVEUACOGMFTE-UHFFFAOYSA-N -1 0 331.343 3.548 20 0 EHADRM O=C([O-])[C@@H]1CCN(Cc2ccccc2OC(F)F)c2ccccc21 ZINC000325445192 971216922 /nfs/dbraw/zinc/21/69/22/971216922.db2.gz VWIUXFLUGRUWHO-CQSZACIVSA-N -1 0 333.334 3.867 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC000326582655 971305917 /nfs/dbraw/zinc/30/59/17/971305917.db2.gz ZWTZOZOBJUAYAI-UHFFFAOYSA-N -1 0 333.359 3.740 20 0 EHADRM CCCCCC(C)(C)CNC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000327147301 971371789 /nfs/dbraw/zinc/37/17/89/971371789.db2.gz DUMHDTDRGHGFIR-KRWDZBQOSA-N -1 0 346.471 3.987 20 0 EHADRM Cc1ccc(OCCC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])c(C)c1 ZINC000327676337 971417577 /nfs/dbraw/zinc/41/75/77/971417577.db2.gz LXYBSORSFJMPBV-KRWDZBQOSA-N -1 0 347.455 3.612 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001602736037 971419096 /nfs/dbraw/zinc/41/90/96/971419096.db2.gz BKUOWLFETOOXEI-YJYLBWJFSA-N -1 0 329.440 3.650 20 0 EHADRM C/C(=C/C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1cccs1 ZINC001602736072 971420440 /nfs/dbraw/zinc/42/04/40/971420440.db2.gz CKUFDSZADUSJPM-UBGRJXSISA-N -1 0 327.405 3.581 20 0 EHADRM C/C(=C/c1c(Cl)cccc1Cl)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001602736200 971422547 /nfs/dbraw/zinc/42/25/47/971422547.db2.gz KCKHNKIARPTHHV-IEHMKBBKSA-N -1 0 342.222 3.720 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)N[C@H]2CCCCC23CCCC3)c1 ZINC000327873382 971431230 /nfs/dbraw/zinc/43/12/30/971431230.db2.gz XPCKQHWACBNKFU-INIZCTEOSA-N -1 0 346.427 3.775 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)CSCc2ccc(Cl)cc2)cc1 ZINC000013166356 948777963 /nfs/dbraw/zinc/77/79/63/948777963.db2.gz HQIQNPJBFMUTHJ-UHFFFAOYSA-N -1 0 349.839 3.588 20 0 EHADRM CC[C@H](Cc1ccccc1)N(CC)C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001589561113 948809866 /nfs/dbraw/zinc/80/98/66/948809866.db2.gz HSFOSYLEWAAEMI-MRXNPFEDSA-N -1 0 341.411 3.655 20 0 EHADRM CC[C@@H](NC(=O)C1(C(=O)[O-])CCCCCC1)c1ccccc1OC ZINC001589564193 948840457 /nfs/dbraw/zinc/84/04/57/948840457.db2.gz GMPMRSUBQOPNSD-OAHLLOKOSA-N -1 0 333.428 3.688 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000339346951 971516602 /nfs/dbraw/zinc/51/66/02/971516602.db2.gz CFDLJTISLDENBG-OTYXRUKQSA-N -1 0 332.227 3.542 20 0 EHADRM COCCOc1ccc(CNc2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC000340699817 971517295 /nfs/dbraw/zinc/51/72/95/971517295.db2.gz VVXOWJXYIUNKBJ-UHFFFAOYSA-N -1 0 329.396 3.639 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000342578951 971518421 /nfs/dbraw/zinc/51/84/21/971518421.db2.gz WWODSYVHDTVHEZ-UHFFFAOYSA-N -1 0 333.340 3.570 20 0 EHADRM CCCC[C@@H](NC(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)[O-] ZINC000342865387 971518936 /nfs/dbraw/zinc/51/89/36/971518936.db2.gz GBPCGBMRBROWOI-MRXNPFEDSA-N -1 0 347.386 3.778 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)c3ccc4nccnc4c3)ccc2s1 ZINC000345904949 971520098 /nfs/dbraw/zinc/52/00/98/971520098.db2.gz FXJPLIDFUKRRCT-UHFFFAOYSA-N -1 0 349.371 3.795 20 0 EHADRM Cc1cc(C)c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)[nH]1 ZINC000346026478 971521233 /nfs/dbraw/zinc/52/12/33/971521233.db2.gz MUJFBSPXGJHBND-INIZCTEOSA-N -1 0 342.439 3.875 20 0 EHADRM CCCC[C@H](NC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000347256072 971521763 /nfs/dbraw/zinc/52/17/63/971521763.db2.gz FCEMYPBGWYMBMF-ZANVPECISA-N -1 0 348.226 3.520 20 0 EHADRM CCCC[C@@H](NC(=O)c1ccccc1N(C)c1ccccc1)C(=O)[O-] ZINC000347259061 971521785 /nfs/dbraw/zinc/52/17/85/971521785.db2.gz KABSEPVTMOYBLG-QGZVFWFLSA-N -1 0 340.423 3.828 20 0 EHADRM CCCC[C@H](NC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000347264818 971522592 /nfs/dbraw/zinc/52/25/92/971522592.db2.gz SUVPHYYTFIXLOE-FZMZJTMJSA-N -1 0 345.361 3.644 20 0 EHADRM CCC[C@H](NC(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12)C(=O)[O-] ZINC000347379347 971524933 /nfs/dbraw/zinc/52/49/33/971524933.db2.gz GFDZPTATVYIFKO-INIZCTEOSA-N -1 0 340.423 3.712 20 0 EHADRM CCC[C@H](NC(=O)CCCOc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000347386309 971525204 /nfs/dbraw/zinc/52/52/04/971525204.db2.gz PUZRZZRLRQWJRC-NSHDSACASA-N -1 0 348.226 3.522 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CCC(=O)c1ccccc1 ZINC000349495187 971527322 /nfs/dbraw/zinc/52/73/22/971527322.db2.gz BDJMXSIAZYJILB-UHFFFAOYSA-N -1 0 325.364 3.603 20 0 EHADRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)c1cccc(Cl)c1 ZINC000348001998 971527974 /nfs/dbraw/zinc/52/79/74/971527974.db2.gz PZSOIOMMYAHGJP-UHFFFAOYSA-N -1 0 338.190 3.720 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2CCSc3ccc(F)cc32)c(F)c1 ZINC000358609649 971531776 /nfs/dbraw/zinc/53/17/76/971531776.db2.gz JWXYGUCBDZYCGG-AWEZNQCLSA-N -1 0 349.358 3.630 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001589587053 949064349 /nfs/dbraw/zinc/06/43/49/949064349.db2.gz LJOINOUYNWWKIX-QZWWFDLISA-N -1 0 341.492 3.614 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)COc2ccc(C(C)C)c(C)c2)C1 ZINC001589591503 949090516 /nfs/dbraw/zinc/09/05/16/949090516.db2.gz IGSHZUDRLMASMI-FQEVSTJZSA-N -1 0 347.455 3.601 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)CC[C@@H]2CCc3ccccc32)C1 ZINC001589592044 949097969 /nfs/dbraw/zinc/09/79/69/949097969.db2.gz MWSMDFBQXBGJOU-OXJNMPFZSA-N -1 0 329.440 3.600 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000367515456 971548669 /nfs/dbraw/zinc/54/86/69/971548669.db2.gz RAKRXGGSGMWYRB-FCEWJHQRSA-N -1 0 349.386 3.749 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)N[C@H](c2ccccc2)C(C)C)C1 ZINC001589596269 949147470 /nfs/dbraw/zinc/14/74/70/949147470.db2.gz JJWIFRNZNXAAMZ-LPHOPBHVSA-N -1 0 332.444 3.670 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)C1 ZINC001589597707 949175978 /nfs/dbraw/zinc/17/59/78/949175978.db2.gz GPTPEQBBLGRRSC-SQGPQFPESA-N -1 0 329.440 3.510 20 0 EHADRM C[C@@H](c1ccccc1)c1ccc(Oc2ccnc(-c3nnn[n-]3)n2)cc1 ZINC001575515312 949185509 /nfs/dbraw/zinc/18/55/09/949185509.db2.gz HPJKQACQHYQISP-ZDUSSCGKSA-N -1 0 344.378 3.601 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCC2(c3c(F)cccc3F)CCC2)cc1 ZINC001595221215 949255249 /nfs/dbraw/zinc/25/52/49/949255249.db2.gz ZKKIEMKWGRPWLL-UHFFFAOYSA-N -1 0 345.345 3.515 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2ncoc2-c2ccc(F)cc2)cc1 ZINC001595233648 949375443 /nfs/dbraw/zinc/37/54/43/949375443.db2.gz HKZXLCALFLMZJW-UHFFFAOYSA-N -1 0 341.294 3.536 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2ccc(C3CCOCC3)cc2)cc1 ZINC001595233934 949382608 /nfs/dbraw/zinc/38/26/08/949382608.db2.gz ZLBNEKAIPBKCHE-UHFFFAOYSA-N -1 0 340.375 3.636 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CC[C@](F)(c3ccccc3)C2)c(F)c1 ZINC001595235406 949388412 /nfs/dbraw/zinc/38/84/12/949388412.db2.gz QKSYBMDONZYQAZ-GOSISDBHSA-N -1 0 346.333 3.627 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCC(c3ccco3)CC2)c(F)c1 ZINC001595235543 949390393 /nfs/dbraw/zinc/39/03/93/949390393.db2.gz TXOQKDAZBAAEOH-UHFFFAOYSA-N -1 0 332.331 3.528 20 0 EHADRM CC[C@@H]1CCCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)CC1 ZINC001589621026 949411764 /nfs/dbraw/zinc/41/17/64/949411764.db2.gz GERIIXISWIKMSU-XYPHTWIQSA-N -1 0 330.428 3.521 20 0 EHADRM CCC(CC)(CNC(=O)c1sc(C)nc1-c1ccccc1)C(=O)[O-] ZINC000192903864 949511889 /nfs/dbraw/zinc/51/18/89/949511889.db2.gz VXKHNCXZRFJCBO-UHFFFAOYSA-N -1 0 346.452 3.739 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1nc(Cl)ccc1Cl ZINC000223856049 949570213 /nfs/dbraw/zinc/57/02/13/949570213.db2.gz QLFSGYYRHWVAFS-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM CCCCCCOc1ccc(CC(=O)N2CCC[C@]2(C)C(=O)[O-])cc1 ZINC001589645588 949727927 /nfs/dbraw/zinc/72/79/27/949727927.db2.gz IJYPTGITDFMMIO-HXUWFJFHSA-N -1 0 347.455 3.654 20 0 EHADRM Cc1cc(Br)cc(NC(=O)NCCCCCC(=O)[O-])c1 ZINC000232046177 949762349 /nfs/dbraw/zinc/76/23/49/949762349.db2.gz AZLAMJRRJULYEC-UHFFFAOYSA-N -1 0 343.221 3.524 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)Cc1coc2cc(C)c(C(C)C)cc12 ZINC001589664718 949882929 /nfs/dbraw/zinc/88/29/29/949882929.db2.gz GTHBNSMXXSWFHA-UHFFFAOYSA-N -1 0 331.412 3.730 20 0 EHADRM CC(C)C[C@@H](NC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000236578351 949923872 /nfs/dbraw/zinc/92/38/72/949923872.db2.gz FHARJDSUPZPQJT-OKZBNKHCSA-N -1 0 325.408 3.559 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC000236798814 949936379 /nfs/dbraw/zinc/93/63/79/949936379.db2.gz LPFLRJMGMIGQQR-JKSUJKDBSA-N -1 0 347.455 3.681 20 0 EHADRM COc1ccc2oc(C)c(C(=O)N3CCCC[C@@H]3CCC(=O)[O-])c2c1 ZINC000237312330 949957924 /nfs/dbraw/zinc/95/79/24/949957924.db2.gz JNUOXSFVIBOLHK-CYBMUJFWSA-N -1 0 345.395 3.609 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000237500765 949964567 /nfs/dbraw/zinc/96/45/67/949964567.db2.gz CILWULIFYLUROK-RHSMWYFYSA-N -1 0 335.419 3.640 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1C ZINC000237834216 949978943 /nfs/dbraw/zinc/97/89/43/949978943.db2.gz LOWAMPDGCKPVNU-QGZVFWFLSA-N -1 0 345.439 3.512 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cccc(C(F)(F)F)c1F ZINC000237937434 949981817 /nfs/dbraw/zinc/98/18/17/949981817.db2.gz MNWUSTBSFVRIRI-JTQLQIEISA-N -1 0 347.308 3.704 20 0 EHADRM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC000261960303 950053279 /nfs/dbraw/zinc/05/32/79/950053279.db2.gz AOXBIHLYVAVVJR-JFUSQASVSA-N -1 0 330.211 3.624 20 0 EHADRM C[C@@H](C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000262157431 950075632 /nfs/dbraw/zinc/07/56/32/950075632.db2.gz NSRZCJCLHCXTQR-SJKOYZFVSA-N -1 0 343.810 3.654 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000262331890 950109448 /nfs/dbraw/zinc/10/94/48/950109448.db2.gz BCCFLRPZWBAZDE-CYBMUJFWSA-N -1 0 329.371 3.660 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)c1 ZINC000262405640 950120666 /nfs/dbraw/zinc/12/06/66/950120666.db2.gz OKXSPFQIWNYRCR-JKSUJKDBSA-N -1 0 345.345 3.724 20 0 EHADRM C[C@H](CC(=O)NC1CCC(C(=O)[O-])CC1)Cc1ccc(Cl)cc1 ZINC000262477761 950131392 /nfs/dbraw/zinc/13/13/92/950131392.db2.gz CISVEYDPKGNFCO-YGONEPDPSA-N -1 0 337.847 3.668 20 0 EHADRM C[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000262912533 950185979 /nfs/dbraw/zinc/18/59/79/950185979.db2.gz IVNWGDVXEWJPFA-NHCYSSNCSA-N -1 0 344.238 3.666 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccccc1 ZINC000262912790 950186362 /nfs/dbraw/zinc/18/63/62/950186362.db2.gz DTZSLYODJUBFRS-HNAYVOBHSA-N -1 0 332.444 3.670 20 0 EHADRM Cc1nc(-c2ccco2)ccc1C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000262981097 950205324 /nfs/dbraw/zinc/20/53/24/950205324.db2.gz RCEMPRNCAYQXBU-CQSZACIVSA-N -1 0 342.395 3.510 20 0 EHADRM O=C([O-])CCNC(=O)N[C@@H](CCCc1ccccc1)c1ccccc1 ZINC000262985441 950207072 /nfs/dbraw/zinc/20/70/72/950207072.db2.gz LGRXCEABAXYFOI-SFHVURJKSA-N -1 0 340.423 3.525 20 0 EHADRM CCN(C(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1)[C@H](C)C(=O)[O-] ZINC001589703656 950254320 /nfs/dbraw/zinc/25/43/20/950254320.db2.gz RSJBGQKXPWSJAL-KCJUWKMLSA-N -1 0 336.285 3.586 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)C1CCC(c2ccccc2)CC1 ZINC000263127527 950282094 /nfs/dbraw/zinc/28/20/94/950282094.db2.gz FSKBWGZBXZPICJ-AGERRDQYSA-N -1 0 329.440 3.672 20 0 EHADRM C[C@H](CC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C)Cc1ccc(Cl)cc1 ZINC000263203083 950323917 /nfs/dbraw/zinc/32/39/17/950323917.db2.gz MQSSGHLUWGWAPB-KCQAQPDRSA-N -1 0 337.847 3.620 20 0 EHADRM Cc1c(C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)oc2c1c(C)ccc2C ZINC000263345139 950386897 /nfs/dbraw/zinc/38/68/97/950386897.db2.gz OIOXYXMUSOBMOO-IINYFYTJSA-N -1 0 329.396 3.541 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccc(F)c2ccccc21 ZINC000263350270 950391677 /nfs/dbraw/zinc/39/16/77/950391677.db2.gz HPURIIVVEGKSDG-QWHCGFSZSA-N -1 0 344.386 3.546 20 0 EHADRM O=C([O-])c1cc(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2)ccn1 ZINC000315651352 950851292 /nfs/dbraw/zinc/85/12/92/950851292.db2.gz BOQWLHMJVBSOTG-OWOJBTEDSA-N -1 0 337.162 3.739 20 0 EHADRM C[C@@H]1CCCN(C(=O)/C=C/c2cc(Cl)cc(Cl)c2)[C@H]1C(=O)[O-] ZINC000318772002 950937776 /nfs/dbraw/zinc/93/77/76/950937776.db2.gz NASRSICXSJULHS-NXJNVRQLSA-N -1 0 342.222 3.718 20 0 EHADRM C[C@@H]1CCCN(C(=O)/C=C\c2cc(Cl)cc(Cl)c2)[C@H]1C(=O)[O-] ZINC000318772003 950938827 /nfs/dbraw/zinc/93/88/27/950938827.db2.gz NASRSICXSJULHS-PLQJPXRRSA-N -1 0 342.222 3.718 20 0 EHADRM C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000321357139 951014969 /nfs/dbraw/zinc/01/49/69/951014969.db2.gz KIZOMRBZOMIQJW-VIFPVBQESA-N -1 0 337.734 3.583 20 0 EHADRM Cc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)nc1C ZINC000322241662 951026954 /nfs/dbraw/zinc/02/69/54/951026954.db2.gz OJEGKKQDZRFMPL-UHFFFAOYSA-N -1 0 330.409 3.589 20 0 EHADRM CC(C)(C)c1cc(C(=O)N2CCCC[C@H]2CC(=O)[O-])cc(Cl)n1 ZINC000323137128 951043008 /nfs/dbraw/zinc/04/30/08/951043008.db2.gz IBYOUHHMEQMGPO-LBPRGKRZSA-N -1 0 338.835 3.502 20 0 EHADRM COCc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)cc1 ZINC000324048057 951059594 /nfs/dbraw/zinc/05/95/94/951059594.db2.gz TVDIIRQDOUBTPZ-UHFFFAOYSA-N -1 0 345.420 3.724 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)NCC1(C(=O)[O-])CCC1)c1ccccc1 ZINC001602859960 971713475 /nfs/dbraw/zinc/71/34/75/971713475.db2.gz SPWKORAKGVVXQA-HNNXBMFYSA-N -1 0 332.444 3.718 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1C(F)(F)F ZINC000324981732 951077763 /nfs/dbraw/zinc/07/77/63/951077763.db2.gz RLQURHNHBVPJQV-LLVKDONJSA-N -1 0 344.333 3.732 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CSc2ccc(F)cc2)c2ccccc21 ZINC000325345907 951082086 /nfs/dbraw/zinc/08/20/86/951082086.db2.gz DLOFWEXRGVZWJM-OAHLLOKOSA-N -1 0 345.395 3.523 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)/C=C\c2ccc(Cl)cc2)Cc2ccccc21 ZINC000325651855 951088805 /nfs/dbraw/zinc/08/88/05/951088805.db2.gz YQVXFWAVDIKAMO-JEZWAEDTSA-N -1 0 341.794 3.564 20 0 EHADRM CC(C)(C)c1ccc(OCCCC(=O)N2CCCC[C@H]2C(=O)[O-])cc1 ZINC000345209084 951132868 /nfs/dbraw/zinc/13/28/68/951132868.db2.gz OPSKBWZGQIRWRO-KRWDZBQOSA-N -1 0 347.455 3.609 20 0 EHADRM CCO[C@@H](C)C(=O)Nc1scc(-c2ccsc2)c1C(=O)[O-] ZINC001591703430 951163366 /nfs/dbraw/zinc/16/33/66/951163366.db2.gz NOBXBDXSLHZXCK-QMMMGPOBSA-N -1 0 325.411 3.538 20 0 EHADRM CCCCc1ccc(CC(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000391721684 951402974 /nfs/dbraw/zinc/40/29/74/951402974.db2.gz SXNJZPPWKKJEKQ-UHFFFAOYSA-N -1 0 327.380 3.614 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1cccc2c(Cl)nccc12 ZINC001595038663 951417530 /nfs/dbraw/zinc/41/75/30/951417530.db2.gz XLCBKPKBTMKSFH-UHFFFAOYSA-N -1 0 335.791 3.655 20 0 EHADRM Cc1cc(OCc2cccc(C(=O)[O-])c2Cl)c(F)cc1[N+](=O)[O-] ZINC000381465485 971760216 /nfs/dbraw/zinc/76/02/16/971760216.db2.gz BGBNIPJNLCVCBS-UHFFFAOYSA-N -1 0 339.706 3.973 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC[C@H]1CCCCC1(F)F ZINC000381643076 971767690 /nfs/dbraw/zinc/76/76/90/971767690.db2.gz XGKSMWDHPIRYJT-FWPCIQOSSA-N -1 0 326.339 3.997 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)NC2(c3ccccc3F)CCC2)c1 ZINC001595132204 952041113 /nfs/dbraw/zinc/04/11/13/952041113.db2.gz MIWJEXPLDLDPQR-UHFFFAOYSA-N -1 0 342.370 3.654 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)Nc2cccc(SC(F)(F)F)c2)C1 ZINC001595196680 952300644 /nfs/dbraw/zinc/30/06/44/952300644.db2.gz GITAHSPYRNJYFF-VIFPVBQESA-N -1 0 348.346 3.627 20 0 EHADRM O=C([O-])[C@H]1C[C@H](Nc2ncnc3sc(-c4ccccc4)cc32)C1 ZINC001595203183 952318213 /nfs/dbraw/zinc/31/82/13/952318213.db2.gz OGMNDFMJVBNSBP-HAQNSBGRSA-N -1 0 325.393 3.633 20 0 EHADRM O=C([O-])c1ccc(Br)c(NC(=O)[C@H]2CCC[C@H](F)C2)c1 ZINC001595214175 952364546 /nfs/dbraw/zinc/36/45/46/952364546.db2.gz BLGVXLJFWTXSOU-WPRPVWTQSA-N -1 0 344.180 3.614 20 0 EHADRM CC[C@H](NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)C1CCCC1 ZINC000382804877 971833989 /nfs/dbraw/zinc/83/39/89/971833989.db2.gz ARAWTYGDPNINTO-ZDUSSCGKSA-N -1 0 326.343 3.753 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F)C1CCCC1 ZINC000382810403 971834866 /nfs/dbraw/zinc/83/48/66/971834866.db2.gz MGWAYLDBDUCGGY-NSHDSACASA-N -1 0 326.343 3.753 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1csnc1-c1ccccc1 ZINC001602936474 971903145 /nfs/dbraw/zinc/90/31/45/971903145.db2.gz UEMGSJAVMIBLNJ-UHFFFAOYSA-N -1 0 333.413 3.575 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2(c3cccc(F)c3)CCCCC2)C1 ZINC001589267836 953379852 /nfs/dbraw/zinc/37/98/52/953379852.db2.gz DWILBUOMXDGDNZ-CABCVRRESA-N -1 0 347.430 3.597 20 0 EHADRM CC[C@@H](NC(=O)NCCCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000414603573 953396379 /nfs/dbraw/zinc/39/63/79/953396379.db2.gz WBVQOGKKDGFUIX-CQSZACIVSA-N -1 0 326.824 3.735 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)NC[C@H]2CC=CCC2)c1Cl ZINC001594748376 953399463 /nfs/dbraw/zinc/39/94/63/953399463.db2.gz IINFYOJBZOSPJP-VIFPVBQESA-N -1 0 326.755 3.655 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2(Sc3ccccc3)CCCC2)C1 ZINC001589269714 953406601 /nfs/dbraw/zinc/40/66/01/953406601.db2.gz ZWWVQOUZONWGRH-CABCVRRESA-N -1 0 347.480 3.661 20 0 EHADRM CC(C)(CCNC(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000424236061 953430388 /nfs/dbraw/zinc/43/03/88/953430388.db2.gz SMRLYVDGGMRTRQ-UHFFFAOYSA-N -1 0 337.725 3.590 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1cccc(N2CCC(C)CC2)c1)C(=O)[O-] ZINC001593609823 953457409 /nfs/dbraw/zinc/45/74/09/953457409.db2.gz LWDIXWSLFBAKGR-YOEHRIQHSA-N -1 0 347.459 3.544 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)NCCCC2CCCC2)c2ccccc21 ZINC001594757226 953474659 /nfs/dbraw/zinc/47/46/59/953474659.db2.gz NXYWWBCFSQQTMX-IRXDYDNUSA-N -1 0 330.428 3.569 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCCCC[C@@H]1c1ccco1)C(=O)[O-] ZINC000424426546 953481862 /nfs/dbraw/zinc/48/18/62/953481862.db2.gz TUCQISRCBJIULW-HUUCEWRRSA-N -1 0 336.432 3.653 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)C2(Cc3ccccc3Cl)CC2)c1 ZINC000450508553 953514176 /nfs/dbraw/zinc/51/41/76/953514176.db2.gz CFPQDPMZCLWAME-UHFFFAOYSA-N -1 0 343.810 3.677 20 0 EHADRM O=C([O-])c1cccc(NC(=O)NCc2cc3c(s2)CCCC3)c1 ZINC001594767623 953537430 /nfs/dbraw/zinc/53/74/30/953537430.db2.gz ILSMRBIOTVDNDD-UHFFFAOYSA-N -1 0 330.409 3.647 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)C[C@H]1C(=O)[O-] ZINC000515060813 953538608 /nfs/dbraw/zinc/53/86/08/953538608.db2.gz OPEXNVNZJQHRTG-BXUZGUMPSA-N -1 0 347.411 3.737 20 0 EHADRM CCCn1ccc2ccc(NC(=O)N3CC[C@@H](C)[C@@H](C(=O)[O-])C3)cc21 ZINC000519715744 953550073 /nfs/dbraw/zinc/55/00/73/953550073.db2.gz XQEANQGPBGCIRC-CJNGLKHVSA-N -1 0 343.427 3.626 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001594771965 953568438 /nfs/dbraw/zinc/56/84/38/953568438.db2.gz JVUHXBTXGVGKPJ-SJLPKXTDSA-N -1 0 338.407 3.520 20 0 EHADRM C[C@H]1C[C@@H](CCNC(=O)C2(C(=O)[O-])CCSCC2)CC(C)(C)C1 ZINC001589285879 953570385 /nfs/dbraw/zinc/57/03/85/953570385.db2.gz IQAZMPKJAHVXRK-UONOGXRCSA-N -1 0 341.517 3.553 20 0 EHADRM CCc1ccc(C2=CCN(C(=O)[C@H](C(=O)[O-])C(C)(C)C)CC2)cc1 ZINC001593636272 953609532 /nfs/dbraw/zinc/60/95/32/953609532.db2.gz BESNTVOQBPGPHB-QGZVFWFLSA-N -1 0 329.440 3.612 20 0 EHADRM CCc1ccc([C@H]2CCN(C(=O)c3coc(/C=C/C(=O)[O-])c3)C2)cc1 ZINC001593637282 953616284 /nfs/dbraw/zinc/61/62/84/953616284.db2.gz RBIOBOKJKZSANE-WAVCKPEOSA-N -1 0 339.391 3.570 20 0 EHADRM CC[C@@H](NC(=O)c1cc2cc(C(F)(F)F)ccc2s1)C(=O)[O-] ZINC000566508328 953626268 /nfs/dbraw/zinc/62/62/68/953626268.db2.gz IDVIXUTVGHXPIY-SECBINFHSA-N -1 0 331.315 3.513 20 0 EHADRM CCc1ccc2c(c1)[C@H](OC(=O)c1coc(/C=C/C(=O)[O-])c1)CCO2 ZINC001593640182 953638195 /nfs/dbraw/zinc/63/81/95/953638195.db2.gz RRHQBWCWSAAAQG-UKINESCASA-N -1 0 342.347 3.620 20 0 EHADRM CC(C)Oc1ccc(NC(=O)C2(CC(=O)[O-])CCC2)cc1Cl ZINC000570516094 953655951 /nfs/dbraw/zinc/65/59/51/953655951.db2.gz MSCAJNCDGVAEKP-UHFFFAOYSA-N -1 0 325.792 3.711 20 0 EHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC001593642463 953659865 /nfs/dbraw/zinc/65/98/65/953659865.db2.gz OCWUBBLGAJPPFT-BPQIPLTHSA-N -1 0 329.440 3.598 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC001589298020 953661283 /nfs/dbraw/zinc/66/12/83/953661283.db2.gz DFEPXEYKMGDJDF-MVGYBYKRSA-N -1 0 329.440 3.709 20 0 EHADRM CC(C)C[C@@H](NC(=O)Nc1ccc2oc(C(C)C)nc2c1)C(=O)[O-] ZINC000571711885 953664428 /nfs/dbraw/zinc/66/44/28/953664428.db2.gz FXGABVSOOWWSCA-CYBMUJFWSA-N -1 0 333.388 3.572 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)C[C@@H]1C(=O)[O-] ZINC000573324705 953673004 /nfs/dbraw/zinc/67/30/04/953673004.db2.gz WLNVPNJQPXVRNU-KWQFWETISA-N -1 0 349.736 3.542 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594461579 953762866 /nfs/dbraw/zinc/76/28/66/953762866.db2.gz IDPBZQKXACNJRY-DARAHFNDSA-N -1 0 349.496 3.560 20 0 EHADRM C[C@@H](NC(=O)[C@H](C)SCc1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594461578 953763025 /nfs/dbraw/zinc/76/30/25/953763025.db2.gz IDPBZQKXACNJRY-BFJAYTPKSA-N -1 0 349.496 3.560 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)c(F)c1 ZINC001594803987 953766452 /nfs/dbraw/zinc/76/64/52/953766452.db2.gz IQRVLMUXWZVVOW-MQMHXKEQSA-N -1 0 346.333 3.731 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC001594811561 953831152 /nfs/dbraw/zinc/83/11/52/953831152.db2.gz ATWCYKXWZMBLHV-DOTOQJQBSA-N -1 0 347.374 3.611 20 0 EHADRM Cc1ccccc1CO[C@H](C)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000630140729 953840410 /nfs/dbraw/zinc/84/04/10/953840410.db2.gz WRIUFLPPXLGWPM-CQSZACIVSA-N -1 0 327.380 3.545 20 0 EHADRM Cc1oc(-c2ccccc2)cc1C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000630142783 953840799 /nfs/dbraw/zinc/84/07/99/953840799.db2.gz NXIUNGQSJASWNX-HNNXBMFYSA-N -1 0 329.396 3.732 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(-c3ccco3)cc2F)CC[C@H]1C(=O)[O-] ZINC000630568220 953865614 /nfs/dbraw/zinc/86/56/14/953865614.db2.gz ORGFITDBWMMKJD-DGCLKSJQSA-N -1 0 346.358 3.660 20 0 EHADRM CCc1cc(C)cc(CC)c1NC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000630569422 953866341 /nfs/dbraw/zinc/86/63/41/953866341.db2.gz XQINILSCPOUELU-BBRMVZONSA-N -1 0 332.444 3.694 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccccc1 ZINC000642371135 953898363 /nfs/dbraw/zinc/89/83/63/953898363.db2.gz CTPOUBNSRWHHCJ-MRXNPFEDSA-N -1 0 326.396 3.687 20 0 EHADRM C[C@H]1CCCN(C(=O)Cc2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)[O-] ZINC001589325957 953909322 /nfs/dbraw/zinc/90/93/22/953909322.db2.gz WJQHSQFMWNNTBZ-YWZLYKJASA-N -1 0 337.419 3.608 20 0 EHADRM CN(C(=O)NCC1(C(=O)[O-])CCC1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC001593677318 953940475 /nfs/dbraw/zinc/94/04/75/953940475.db2.gz FKJFAYOXSMZXLU-IRXDYDNUSA-N -1 0 344.455 3.609 20 0 EHADRM Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)N(C)C(=O)[C@H](C)C(=O)[O-] ZINC000647143646 953952324 /nfs/dbraw/zinc/95/23/24/953952324.db2.gz QBOKQJQYNYKYNE-WCQYABFASA-N -1 0 346.452 3.667 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc3c(cccc3Cl)s2)C[C@H]1C(=O)[O-] ZINC000647754750 953973865 /nfs/dbraw/zinc/97/38/65/953973865.db2.gz ANACPZCFHOYPRW-GXSJLCMTSA-N -1 0 337.828 3.738 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1cccc(Oc2ccccc2F)c1)C1CC1 ZINC001594838062 954044768 /nfs/dbraw/zinc/04/47/68/954044768.db2.gz TYIQTIWJEQIMCY-MRXNPFEDSA-N -1 0 329.327 3.667 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653330190 954159841 /nfs/dbraw/zinc/15/98/41/954159841.db2.gz BJKWPPHMOGZMQG-ATZDWAIDSA-N -1 0 337.419 3.685 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)C[C@@H]2CCc3ccccc3C2)c2ccccc21 ZINC000653330847 954160044 /nfs/dbraw/zinc/16/00/44/954160044.db2.gz KQGWXXNWAWAUDJ-VOBQZIQPSA-N -1 0 349.430 3.611 20 0 EHADRM Cc1ccc(SCC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000653333182 954164065 /nfs/dbraw/zinc/16/40/65/954164065.db2.gz MAQNSAHGWQKCTL-DLBZAZTESA-N -1 0 341.432 3.517 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)c2cc3c(s2)CCCC3)c2ccccc21 ZINC000653334113 954165239 /nfs/dbraw/zinc/16/52/39/954165239.db2.gz XTLDRLBUVIBVCQ-LSDHHAIUSA-N -1 0 341.432 3.670 20 0 EHADRM CCOc1ccccc1-c1cccc(C(=O)N(C)[C@H](CC)C(=O)[O-])c1 ZINC000653345016 954176930 /nfs/dbraw/zinc/17/69/30/954176930.db2.gz JOOFJYSFKLIOGT-QGZVFWFLSA-N -1 0 341.407 3.688 20 0 EHADRM COc1cc(NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c(C)cc1C ZINC000653544615 954192363 /nfs/dbraw/zinc/19/23/63/954192363.db2.gz DYKUCHLYCZJXQE-MELADBBJSA-N -1 0 348.443 3.569 20 0 EHADRM CCc1cc(C(=O)N2CCC[C@H]2C(=O)[O-])sc1-c1ccccc1 ZINC000655534346 954196436 /nfs/dbraw/zinc/19/64/36/954196436.db2.gz GUJWYCVQBZZHMU-AWEZNQCLSA-N -1 0 329.421 3.667 20 0 EHADRM CC(C)[C@H](CNC(=O)c1ccc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC000655571269 954209243 /nfs/dbraw/zinc/20/92/43/954209243.db2.gz RRZDWVBUNFABIG-LBPRGKRZSA-N -1 0 335.787 3.687 20 0 EHADRM Cc1cc(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c(C)n1C(C)C ZINC000655583096 954224868 /nfs/dbraw/zinc/22/48/68/954224868.db2.gz BYPJDNORNGZUKV-UHOFOFEASA-N -1 0 334.460 3.551 20 0 EHADRM C[C@@H](NC(=O)NC[C@H](C)C(=O)[O-])c1ccc(-c2ccc(F)cc2)cc1 ZINC000655873599 954259784 /nfs/dbraw/zinc/25/97/84/954259784.db2.gz ILYJYPXWXIZVHY-QWHCGFSZSA-N -1 0 344.386 3.574 20 0 EHADRM CN(CC1(c2ccccc2)CC1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001593726427 954275230 /nfs/dbraw/zinc/27/52/30/954275230.db2.gz GAEWXNJMARMJHD-UHFFFAOYSA-N -1 0 338.407 3.509 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000656475583 954300708 /nfs/dbraw/zinc/30/07/08/954300708.db2.gz WWECDIUXZWDEDY-YOEHRIQHSA-N -1 0 325.364 3.526 20 0 EHADRM O=C([O-])[C@@]1(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)CC=CCC1 ZINC001594869212 954333451 /nfs/dbraw/zinc/33/34/51/954333451.db2.gz JIMNOCZDYKZLNX-YEWWUXTCSA-N -1 0 333.815 3.513 20 0 EHADRM Cc1cccc2c1CCC[C@H]2NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000659418154 954343046 /nfs/dbraw/zinc/34/30/46/954343046.db2.gz DODCXNTVKIEYRP-GOSISDBHSA-N -1 0 344.455 3.659 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2cccc(-c3nccs3)c2)CC=CCC1 ZINC001594870953 954354422 /nfs/dbraw/zinc/35/44/22/954354422.db2.gz HBGAHTANZCXTTI-KRWDZBQOSA-N -1 0 328.393 3.560 20 0 EHADRM CC(C)[C@H](CNC(=O)NCC1CCC(c2ccccc2)CC1)C(=O)[O-] ZINC001602983830 972007887 /nfs/dbraw/zinc/00/78/87/972007887.db2.gz RAXSQACUMFFGEC-VJFUWPCTSA-N -1 0 346.471 3.616 20 0 EHADRM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001593759501 954472358 /nfs/dbraw/zinc/47/23/58/954472358.db2.gz ZMKYNARNJQWNAO-UHFFFAOYSA-N -1 0 341.411 3.741 20 0 EHADRM CC(C)(C)[C@H](NC(=O)NCCCCC(=O)[O-])c1ccc(F)cc1F ZINC000666536107 954550825 /nfs/dbraw/zinc/55/08/25/954550825.db2.gz HPOVPYLWDXHHLI-OAHLLOKOSA-N -1 0 342.386 3.606 20 0 EHADRM Cc1csc(NC(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)n1 ZINC000669493445 954575620 /nfs/dbraw/zinc/57/56/20/954575620.db2.gz VFOYAYAQELGWDI-UHFFFAOYSA-N -1 0 345.424 3.561 20 0 EHADRM C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001589418226 954576159 /nfs/dbraw/zinc/57/61/59/954576159.db2.gz PXZILVBMBUBXFH-DVVUODLYSA-N -1 0 342.222 3.550 20 0 EHADRM CC(C)C[C@@H](NC(=O)C(C)(C)c1ccc2ccccc2c1)C(=O)[O-] ZINC000676217660 954583920 /nfs/dbraw/zinc/58/39/20/954583920.db2.gz YHKQHKVLADVTTR-QGZVFWFLSA-N -1 0 327.424 3.733 20 0 EHADRM C/C=C\c1ccc(OCC(=O)Nc2sccc2C(=O)[O-])c(OC)c1 ZINC001589420272 954593787 /nfs/dbraw/zinc/59/37/87/954593787.db2.gz OVFGBOFLTSXYTG-ARJAWSKDSA-N -1 0 347.392 3.506 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)N2CCC[C@H]2C2CCCC2)c2ccccc21 ZINC001594899873 954616205 /nfs/dbraw/zinc/61/62/05/954616205.db2.gz HNECATZIRDXMMC-KURKYZTESA-N -1 0 342.439 3.664 20 0 EHADRM Cc1oc(CNC(=O)Nc2cccc3ccsc32)cc1C(=O)[O-] ZINC000386166378 972032823 /nfs/dbraw/zinc/03/28/23/972032823.db2.gz LYJDNRVERMQUTH-UHFFFAOYSA-N -1 0 330.365 3.823 20 0 EHADRM O=C([O-])CC1(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2)CCCC1 ZINC000386251261 972039214 /nfs/dbraw/zinc/03/92/14/972039214.db2.gz KCPWJFDMPFKZPH-ONEGZZNKSA-N -1 0 342.222 3.910 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)Nc2ccnc(C(=O)[O-])c2)c2ccccc21 ZINC001603000851 972041609 /nfs/dbraw/zinc/04/16/09/972041609.db2.gz ZPWOBJMFLJMKMO-AWEZNQCLSA-N -1 0 325.368 3.572 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)Nc2cc(C(=O)[O-])ccn2)c1 ZINC001589464484 954889256 /nfs/dbraw/zinc/88/92/56/954889256.db2.gz QWHNHHBGUAZUCM-NSHDSACASA-N -1 0 329.356 3.601 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N[C@H](C(=O)[O-])c2cccc(C)c2)cc1 ZINC001589464823 954893829 /nfs/dbraw/zinc/89/38/29/954893829.db2.gz SGEFSRPLERXKJU-KSSFIOAISA-N -1 0 341.407 3.728 20 0 EHADRM CCC(CC)(CNC(=O)NC(C)(C)Cc1ccc(C)cc1)C(=O)[O-] ZINC001589489349 955008979 /nfs/dbraw/zinc/00/89/79/955008979.db2.gz DLEJYUORXQZQLY-UHFFFAOYSA-N -1 0 334.460 3.506 20 0 EHADRM CCC(CC)(CNC(=O)NC[C@@H](c1ccccc1)C(C)C)C(=O)[O-] ZINC001589493434 955013691 /nfs/dbraw/zinc/01/36/91/955013691.db2.gz FNWOYJQJYBTMEY-MRXNPFEDSA-N -1 0 334.460 3.616 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)Nc2ccc(-c3ccccn3)cc2)co1 ZINC001594969443 955091650 /nfs/dbraw/zinc/09/16/50/955091650.db2.gz YQJRFZXMQGRADZ-CMDGGOBGSA-N -1 0 334.331 3.692 20 0 EHADRM C[C@H](NC(=O)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1)C(=O)[O-] ZINC000737674908 955223984 /nfs/dbraw/zinc/22/39/84/955223984.db2.gz FVETZBNAALCUAK-OKHBPPCESA-N -1 0 347.773 3.609 20 0 EHADRM C/C(=C/C(=O)N([C@H](C)C(=O)[O-])C1CC1)c1cccc(C(F)(F)F)c1 ZINC000766971559 955315495 /nfs/dbraw/zinc/31/54/95/955315495.db2.gz RGCYAWKZDFUMEK-HIJJYWJESA-N -1 0 341.329 3.573 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)c1cccc(F)c1Sc1ccccc1 ZINC001589002084 955337148 /nfs/dbraw/zinc/33/71/48/955337148.db2.gz KCECVHGMHBQDBI-LLVKDONJSA-N -1 0 333.384 3.570 20 0 EHADRM CC(C)COc1ccc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001603030820 972091515 /nfs/dbraw/zinc/09/15/15/972091515.db2.gz RPWFXTAUWZBFLO-INIZCTEOSA-N -1 0 335.444 3.731 20 0 EHADRM Cc1sc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)nc1-c1ccc(F)cc1 ZINC001594512422 955400319 /nfs/dbraw/zinc/40/03/19/955400319.db2.gz UQAVHTXPQAPSFT-NWDGAFQWSA-N -1 0 348.399 3.697 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cc(Cl)c(N)c(Cl)c1)C(=O)[O-] ZINC000818622181 955404608 /nfs/dbraw/zinc/40/46/08/955404608.db2.gz JUVDDWMJOQRBKL-UHFFFAOYSA-N -1 0 348.230 3.588 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 ZINC000828153036 955536275 /nfs/dbraw/zinc/53/62/75/955536275.db2.gz DZAXUSPVYVZQRR-GXTWGEPZSA-N -1 0 347.308 3.572 20 0 EHADRM Cc1cc(O)c(C(C)C)cc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000833747182 955557205 /nfs/dbraw/zinc/55/72/05/955557205.db2.gz SNYZJMNJTJDSCP-UHFFFAOYSA-N -1 0 327.380 3.703 20 0 EHADRM CC1CCN(c2ccc(NC(=O)NCCCCCC(=O)[O-])cc2)CC1 ZINC000841837356 955595415 /nfs/dbraw/zinc/59/54/15/955595415.db2.gz HTHVLOCQSBXZAI-UHFFFAOYSA-N -1 0 347.459 3.689 20 0 EHADRM O=C([O-])CC1(NC(=O)Cc2ccc(Cl)c(Cl)c2)CCCCC1 ZINC000387332193 972118653 /nfs/dbraw/zinc/11/86/53/972118653.db2.gz UZKZMBFOIAQIIL-UHFFFAOYSA-N -1 0 344.238 3.830 20 0 EHADRM Cn1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1-c1ccccc1 ZINC001594549439 955711409 /nfs/dbraw/zinc/71/14/09/955711409.db2.gz KRRWJCUREOYVMI-MRXNPFEDSA-N -1 0 340.423 3.552 20 0 EHADRM C[C@H](NC(=O)c1ccoc1CC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000387550015 972127099 /nfs/dbraw/zinc/12/70/99/972127099.db2.gz BKXCHNVDZQVAFR-QMMMGPOBSA-N -1 0 342.178 3.705 20 0 EHADRM C[C@H](CSc1ccccc1)N(C)C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001589077061 955829825 /nfs/dbraw/zinc/82/98/25/955829825.db2.gz PPZDEKFQXGLMQO-LJTDUEICSA-N -1 0 345.420 3.630 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001589080572 955848720 /nfs/dbraw/zinc/84/87/20/955848720.db2.gz GAJDUSAAXHAJCQ-MEDUHNTESA-N -1 0 349.789 3.600 20 0 EHADRM CO[C@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)c1ccccc1 ZINC001593901354 955872031 /nfs/dbraw/zinc/87/20/31/955872031.db2.gz XARKUPFZBYYJHN-AWEZNQCLSA-N -1 0 337.734 3.504 20 0 EHADRM Cc1nc(NC(=O)[C@]2(C(=O)[O-])CC2(C)C)sc1-c1ccccc1 ZINC000852951556 955874923 /nfs/dbraw/zinc/87/49/23/955874923.db2.gz RDOJRCAKKNPTJL-KRWDZBQOSA-N -1 0 330.409 3.558 20 0 EHADRM C[C@H](NC(=O)NCC[C@@H]1CCCC1(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589106396 956032703 /nfs/dbraw/zinc/03/27/03/956032703.db2.gz UIWQLBDSBKJSNU-ZQDZILKHSA-N -1 0 338.492 3.637 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)c1cc2cnccc2o1 ZINC001589108861 956053186 /nfs/dbraw/zinc/05/31/86/956053186.db2.gz SPDJXELUCWJTQI-SECBINFHSA-N -1 0 343.314 3.548 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Cc2csc(C3CCCC3)n2)c1 ZINC000872713697 956059569 /nfs/dbraw/zinc/05/95/69/956059569.db2.gz CYQIYUYPGKSSAY-UHFFFAOYSA-N -1 0 344.436 3.609 20 0 EHADRM CC(C)[C@H](NC(=O)Nc1ccc(-c2ccccc2)cc1F)C(=O)[O-] ZINC001603095302 972170033 /nfs/dbraw/zinc/17/00/33/972170033.db2.gz YOODFLUAFRVGJY-INIZCTEOSA-N -1 0 330.359 3.723 20 0 EHADRM Cc1ccc(-c2ccc(C)c(NC(=O)N3CCC[C@@H]3C(=O)[O-])c2)o1 ZINC000900346293 956296499 /nfs/dbraw/zinc/29/64/99/956296499.db2.gz FJSHQYOKKMUKSB-OAHLLOKOSA-N -1 0 328.368 3.644 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)C[C@@H]2C[C@H]2C2CC2)CC1 ZINC000901551631 956336463 /nfs/dbraw/zinc/33/64/63/956336463.db2.gz HWJMTLATRJAKTI-YJBOKZPZSA-N -1 0 327.424 3.527 20 0 EHADRM Cc1cc(C)c(CC(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC000901636549 956395882 /nfs/dbraw/zinc/39/58/82/956395882.db2.gz NMKOLOGBEWPBKK-CQSZACIVSA-N -1 0 329.421 3.513 20 0 EHADRM CC(C)(CC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21)CC(F)F ZINC000901637262 956396541 /nfs/dbraw/zinc/39/65/41/956396541.db2.gz ULIMJALSTZJFIR-LBPRGKRZSA-N -1 0 325.355 3.663 20 0 EHADRM C[C@H](Oc1ccccc1NC(=O)CCCCC(=O)[O-])C(F)(F)F ZINC001589169246 956455775 /nfs/dbraw/zinc/45/57/75/956455775.db2.gz YAEGOTPWKACMRT-JTQLQIEISA-N -1 0 333.306 3.600 20 0 EHADRM C[C@@H](SCC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1)C(=O)[O-] ZINC001589169592 956460978 /nfs/dbraw/zinc/46/09/78/956460978.db2.gz JQROKRBGWFRPPZ-BXUZGUMPSA-N -1 0 341.448 3.626 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)N2CCC(c3ccccc3F)CC2)co1 ZINC000901772959 956461383 /nfs/dbraw/zinc/46/13/83/956461383.db2.gz CSBILKIAQYIBDC-AATRIKPKSA-N -1 0 343.354 3.536 20 0 EHADRM C[C@@H](c1ccc(COC(=O)[C@H](C(=O)[O-])C2CC2)cc1)C(F)(F)F ZINC001589174466 956479873 /nfs/dbraw/zinc/47/98/73/956479873.db2.gz HUMKGSUKGQGWJI-ZANVPECISA-N -1 0 330.302 3.506 20 0 EHADRM Cc1cc(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)ccc1N1CCCC1 ZINC000901945694 956559623 /nfs/dbraw/zinc/55/96/23/956559623.db2.gz MJNVZZLUTBLDHK-RMKNXTFCSA-N -1 0 340.379 3.538 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN1Cc1oc2ccccc2c1Br ZINC001589187001 956564403 /nfs/dbraw/zinc/56/44/03/956564403.db2.gz MEBVOBDFUZDOIG-HNNXBMFYSA-N -1 0 338.201 3.634 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)c2cscc2C(F)F)c2ccccc21 ZINC000902014018 956604761 /nfs/dbraw/zinc/60/47/61/956604761.db2.gz CNBFECJOMMIXEC-MFKMUULPSA-N -1 0 337.347 3.729 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC001589200996 956634673 /nfs/dbraw/zinc/63/46/73/956634673.db2.gz HFGRFTYJNBHHKL-UHFFFAOYSA-N -1 0 345.414 3.578 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)CCCc2ccccc2Cl)c1 ZINC001594685733 956711220 /nfs/dbraw/zinc/71/12/20/956711220.db2.gz TYSMELLPCCICAC-UHFFFAOYSA-N -1 0 331.799 3.677 20 0 EHADRM CC1(C)C[C@H](C(=O)Nc2ccccc2C(=O)[O-])c2ccccc2O1 ZINC001589214454 956726016 /nfs/dbraw/zinc/72/60/16/956726016.db2.gz UXCKGFWGMFWPSB-AWEZNQCLSA-N -1 0 325.364 3.668 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NCCCc1c(Cl)cccc1Cl ZINC001589218033 956740952 /nfs/dbraw/zinc/74/09/52/956740952.db2.gz PRWXYGNHEPZOHU-MRXNPFEDSA-N -1 0 344.238 3.543 20 0 EHADRM C[C@@H]1CCN(C(=O)c2coc(/C=C\C(=O)[O-])c2)[C@H]1c1ccccc1 ZINC000902730756 956782752 /nfs/dbraw/zinc/78/27/52/956782752.db2.gz GHFKPGSGSHVLNI-UDORQPHGSA-N -1 0 325.364 3.601 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1cccc(SC(F)(F)F)c1 ZINC000902756763 956800018 /nfs/dbraw/zinc/80/00/18/956800018.db2.gz LJLXYQWRGBVVQA-XXILOJSOSA-N -1 0 347.358 3.587 20 0 EHADRM O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)[C@H]2CCCC23CC3)C1 ZINC000902818837 956806628 /nfs/dbraw/zinc/80/66/28/956806628.db2.gz BVTTWMNKYQFHMG-GDBMZVCRSA-N -1 0 327.424 3.637 20 0 EHADRM CC1(C)CN(C(=O)CCCC(=O)[O-])c2c1cccc2C(F)(F)F ZINC001589230378 956817543 /nfs/dbraw/zinc/81/75/43/956817543.db2.gz SYDXUXIKXJNXGZ-UHFFFAOYSA-N -1 0 329.318 3.585 20 0 EHADRM O=C(CSc1cccc2cccc(Cl)c21)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001594702990 956823085 /nfs/dbraw/zinc/82/30/85/956823085.db2.gz VUWYKZGDZSKTJF-TXEJJXNPSA-N -1 0 349.839 3.565 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)Cc1c(Cl)cccc1Cl ZINC001594703995 956831049 /nfs/dbraw/zinc/83/10/49/956831049.db2.gz RYVJZYHLMFWANG-UHFFFAOYSA-N -1 0 338.190 3.551 20 0 EHADRM C[C@@]1(CC(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)CC1(Cl)Cl ZINC001589239406 956862489 /nfs/dbraw/zinc/86/24/89/956862489.db2.gz IDWPRJJVKQEFSL-IAQYHMDHSA-N -1 0 342.222 3.566 20 0 EHADRM C[C@@]1(C2CCCCC2)CCN1C(=O)NCc1ccccc1C(=O)[O-] ZINC001589239692 956866167 /nfs/dbraw/zinc/86/61/67/956866167.db2.gz LFJIMTFVDYOTCL-IBGZPJMESA-N -1 0 330.428 3.639 20 0 EHADRM C[C@]1(C2CCCCC2)CCN1C(=O)NCc1ccccc1C(=O)[O-] ZINC001589239693 956866386 /nfs/dbraw/zinc/86/63/86/956866386.db2.gz LFJIMTFVDYOTCL-LJQANCHMSA-N -1 0 330.428 3.639 20 0 EHADRM Cc1ccc(NC(=O)COc2ccc3ccccc3c2)c(C(=O)[O-])c1 ZINC000005961261 956875249 /nfs/dbraw/zinc/87/52/49/956875249.db2.gz UFJAKXXXSRBCTM-UHFFFAOYSA-N -1 0 335.359 3.864 20 0 EHADRM O=C([O-])CCC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000006329667 956877073 /nfs/dbraw/zinc/87/70/73/956877073.db2.gz NCGJBAQBPCKTDB-UHFFFAOYSA-N -1 0 345.207 3.920 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OCCOc1cc(C)cc(C)c1 ZINC000011864044 956896093 /nfs/dbraw/zinc/89/60/93/956896093.db2.gz ATSPGRSLDSVSFS-FNORWQNLSA-N -1 0 342.391 3.868 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2c(cccc2F)s1)c1ccc(F)cc1 ZINC001594715983 956925920 /nfs/dbraw/zinc/92/59/20/956925920.db2.gz IDJAXHJNPBVQMO-OAHLLOKOSA-N -1 0 347.342 3.735 20 0 EHADRM Cc1cccc(N(C)Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)c1 ZINC000904231523 956930009 /nfs/dbraw/zinc/93/00/09/956930009.db2.gz UVSRIJOAVUNPOQ-UHFFFAOYSA-N -1 0 328.412 3.525 20 0 EHADRM Cc1ccc(C)c(NC(=O)COc2ccc(C(=O)[O-])cc2Cl)c1 ZINC000013084883 956933858 /nfs/dbraw/zinc/93/38/58/956933858.db2.gz YSEJOXFBAHUNLX-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM Cc1cccc(O[C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2Cl)c1 ZINC000013167906 956948682 /nfs/dbraw/zinc/94/86/82/956948682.db2.gz FODOQBVPTYCYQW-NSHDSACASA-N -1 0 333.771 3.753 20 0 EHADRM CC(C)CCOc1ccc(C(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC000013168356 956950692 /nfs/dbraw/zinc/95/06/92/956950692.db2.gz MLXTWQJZMNXWNT-UHFFFAOYSA-N -1 0 333.428 3.629 20 0 EHADRM COc1ccc(CC(=O)Nc2cc3ccccc3cc2C(=O)[O-])cc1 ZINC000013171405 956954355 /nfs/dbraw/zinc/95/43/55/956954355.db2.gz NYSPSDBEDQAPTL-UHFFFAOYSA-N -1 0 335.359 3.728 20 0 EHADRM O=C([O-])C1(NC(=O)c2cc3ccc(Cl)cc3[nH]2)CCCCCC1 ZINC001594721704 956975877 /nfs/dbraw/zinc/97/58/77/956975877.db2.gz YJZNOIPDKZGFQG-UHFFFAOYSA-N -1 0 334.803 3.729 20 0 EHADRM Cc1c(Cl)cccc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000013253343 956993617 /nfs/dbraw/zinc/99/36/17/956993617.db2.gz KLTYUJXVDHYWPI-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM CSCc1ccc(C(=O)N(CCC(=O)[O-])Cc2ccccc2)cc1 ZINC000013428902 957068503 /nfs/dbraw/zinc/06/85/03/957068503.db2.gz ZVASTUOODBSDHJ-UHFFFAOYSA-N -1 0 343.448 3.667 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(C3SCCS3)c2)nc1 ZINC000914838535 957093186 /nfs/dbraw/zinc/09/31/86/957093186.db2.gz KQAILHQFSFAFJF-UHFFFAOYSA-N -1 0 346.433 3.511 20 0 EHADRM CCc1onc(C)c1CN1C[C@@H](CCC(=O)[O-])Cc2ccccc21 ZINC000923266198 957109971 /nfs/dbraw/zinc/10/99/71/957109971.db2.gz IBHBAGMLXNZWAA-AWEZNQCLSA-N -1 0 328.412 3.589 20 0 EHADRM O=C([O-])c1sccc1NC(=O)c1cc(F)cc(Br)c1 ZINC000037025859 957259816 /nfs/dbraw/zinc/25/98/16/957259816.db2.gz WMMCACRNMVTIOJ-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM Cn1c2ccc(Br)cc2nc1-c1ccccc1C(=O)[O-] ZINC000037441048 957288886 /nfs/dbraw/zinc/28/88/86/957288886.db2.gz SPYQDOMYSKGJSV-UHFFFAOYSA-N -1 0 331.169 3.701 20 0 EHADRM COc1ccc(N[C@@H](C(=O)[O-])c2cccc(Br)c2)cc1 ZINC000037952882 957338504 /nfs/dbraw/zinc/33/85/04/957338504.db2.gz NWQQMKDUXLSYGG-CQSZACIVSA-N -1 0 336.185 3.696 20 0 EHADRM Cc1ccc(Br)cc1NC(=O)NCCCCCC(=O)[O-] ZINC000040591539 957379466 /nfs/dbraw/zinc/37/94/66/957379466.db2.gz HLEXOAPKEXTBKD-UHFFFAOYSA-N -1 0 343.221 3.524 20 0 EHADRM Cc1cc(Br)cc(C)c1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000048641890 957458584 /nfs/dbraw/zinc/45/85/84/957458584.db2.gz MBQKADUDJHWJAP-UHFFFAOYSA-N -1 0 342.233 3.895 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CN(C)Cc1csc(Br)c1 ZINC000051361601 957505368 /nfs/dbraw/zinc/50/53/68/957505368.db2.gz RLVDFRKGRKOTSZ-UHFFFAOYSA-N -1 0 344.230 3.742 20 0 EHADRM CCOc1ccc(NC(=O)CSc2ccc(C(=O)[O-])cc2)cc1 ZINC000390346041 972277447 /nfs/dbraw/zinc/27/74/47/972277447.db2.gz XKZQBFBKYBIEER-UHFFFAOYSA-N -1 0 331.393 3.514 20 0 EHADRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NC1CCC(F)(F)CC1 ZINC000390429479 972283868 /nfs/dbraw/zinc/28/38/68/972283868.db2.gz TXFOMMWWCLPXOA-UHFFFAOYSA-N -1 0 334.706 3.936 20 0 EHADRM Cc1cc(C(=O)CS[C@H](C)C(=O)[O-])c(C)n1Cc1ccccc1 ZINC001594274528 957710874 /nfs/dbraw/zinc/71/08/74/957710874.db2.gz UNVHLUNCONYAJC-CQSZACIVSA-N -1 0 331.437 3.542 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NCc2cc3c(s2)CCCC3)c1 ZINC001594285029 957770447 /nfs/dbraw/zinc/77/04/47/957770447.db2.gz FNEYKIAYNPMGIC-UHFFFAOYSA-N -1 0 329.421 3.564 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(SC(F)(F)F)cc2)CC=CC1 ZINC001333659478 957784250 /nfs/dbraw/zinc/78/42/50/957784250.db2.gz ZCIMKOJLEBIKAL-UHFFFAOYSA-N -1 0 331.315 3.658 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)[C@H]1[C@@H]3CCCCCC[C@@H]31)CCOC2 ZINC001574787925 957793266 /nfs/dbraw/zinc/79/32/66/957793266.db2.gz KECBRHQVYVAQDE-YABSGUDNSA-N -1 0 349.452 3.674 20 0 EHADRM C[C@@](CNc1ccnc(-c2ccccc2)n1)(C(=O)[O-])c1ccccc1 ZINC001603193700 972299046 /nfs/dbraw/zinc/29/90/46/972299046.db2.gz QLTINKLQKVSSIL-FQEVSTJZSA-N -1 0 333.391 3.598 20 0 EHADRM O=C([O-])c1cc(C(=O)N2CCCCC[C@@H]2c2ccc(Cl)cc2)[nH]n1 ZINC001574790458 957805918 /nfs/dbraw/zinc/80/59/18/957805918.db2.gz UIHKYIQQRMKEHY-OAHLLOKOSA-N -1 0 347.802 3.519 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CCc2c1cccc2C(F)(F)F ZINC001574810459 957873609 /nfs/dbraw/zinc/87/36/09/957873609.db2.gz FJSVZSJVMSMTRN-UHFFFAOYSA-N -1 0 349.308 3.535 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC001574820610 957908697 /nfs/dbraw/zinc/90/86/97/957908697.db2.gz SUJSNVXXDBNETD-KGYLQXTDSA-N -1 0 333.796 3.624 20 0 EHADRM COc1ccc(CN2CCCc3c(C(=O)[O-])cccc32)cc1Cl ZINC000390903419 972306894 /nfs/dbraw/zinc/30/68/94/972306894.db2.gz RYPHKVYHKNQYHU-UHFFFAOYSA-N -1 0 331.799 4.000 20 0 EHADRM Cc1cc(NC(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc(C(F)(F)F)c1 ZINC001594317629 958085433 /nfs/dbraw/zinc/08/54/33/958085433.db2.gz MPQWNCMNLNGSPI-ZWNOBZJWSA-N -1 0 344.333 3.588 20 0 EHADRM Cc1cc(NC(=O)N2CCSC3(CCC3)CC2)ccc1C(=O)[O-] ZINC001594320184 958120404 /nfs/dbraw/zinc/12/04/04/958120404.db2.gz VYUABTUDSASPRH-UHFFFAOYSA-N -1 0 334.441 3.587 20 0 EHADRM Cc1cc(NC(=O)Nc2ccc(N(C)C)c(F)c2)ccc1C(=O)[O-] ZINC001594323509 958142987 /nfs/dbraw/zinc/14/29/87/958142987.db2.gz NONTXRFELMGTEA-UHFFFAOYSA-N -1 0 331.347 3.542 20 0 EHADRM COc1cc(OC)cc([C@@H](C)OC(=O)c2cc(C)cc(C(=O)[O-])c2)c1 ZINC001594067435 958148715 /nfs/dbraw/zinc/14/87/15/958148715.db2.gz ALCPKNHLWZUXJY-GFCCVEGCSA-N -1 0 344.363 3.628 20 0 EHADRM COc1cc(SC)ccc1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001594067498 958150519 /nfs/dbraw/zinc/15/05/19/958150519.db2.gz GHCXTQWOCLQTKE-UHFFFAOYSA-N -1 0 346.408 3.688 20 0 EHADRM Cc1cc2scc(CC(=O)N3CCC[C@@H](C)[C@H]3C(=O)[O-])c2s1 ZINC001594333485 958246571 /nfs/dbraw/zinc/24/65/71/958246571.db2.gz WXBHLRUDQXIMMG-OTYXRUKQSA-N -1 0 337.466 3.525 20 0 EHADRM Cc1cc2scc(CC(=O)N3[C@H](C)CCC[C@@H]3C(=O)[O-])c2s1 ZINC001594333632 958246792 /nfs/dbraw/zinc/24/67/92/958246792.db2.gz ZYGNMESZQARNIA-BXKDBHETSA-N -1 0 337.466 3.668 20 0 EHADRM Cc1ccc(-c2csc(NC(=O)[C@H](C(=O)[O-])C(C)C)n2)c(C)c1 ZINC001594336020 958267985 /nfs/dbraw/zinc/26/79/85/958267985.db2.gz TXTGXGRBXFFXFC-CQSZACIVSA-N -1 0 332.425 3.722 20 0 EHADRM Cc1ccc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1Cl ZINC001594346515 958322151 /nfs/dbraw/zinc/32/21/51/958322151.db2.gz VPWMLZJEWROICD-ZBFHGGJFSA-N -1 0 329.783 3.691 20 0 EHADRM Cc1ccc(C(F)(F)F)c(NC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)c1 ZINC001594350719 958350989 /nfs/dbraw/zinc/35/09/89/958350989.db2.gz KUVUKIDEMYQCQN-MNOVXSKESA-N -1 0 344.333 3.731 20 0 EHADRM Cc1ccc(C)c([C@@H](C)OC(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC001594352174 958373980 /nfs/dbraw/zinc/37/39/80/958373980.db2.gz JCUZXCFGDYJFRL-CQSZACIVSA-N -1 0 328.364 3.685 20 0 EHADRM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)C3(C(=O)[O-])CCCCC3)C2)cc1 ZINC001594353451 958383548 /nfs/dbraw/zinc/38/35/48/958383548.db2.gz BHIOERHQJJXYEN-WBVHZDCISA-N -1 0 329.440 3.735 20 0 EHADRM COc1ccc(OC)c2sc(Oc3ccc(CC(=O)[O-])cc3)nc21 ZINC001594109735 958503511 /nfs/dbraw/zinc/50/35/11/958503511.db2.gz WESDNDFFEPKMGL-UHFFFAOYSA-N -1 0 345.376 3.733 20 0 EHADRM Cc1nc(NCc2cc(Br)cs2)ccc1C(=O)[O-] ZINC000124290832 958525625 /nfs/dbraw/zinc/52/56/25/958525625.db2.gz LAPDJPVUSDGFBG-UHFFFAOYSA-N -1 0 327.203 3.524 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2CC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001594112380 958527384 /nfs/dbraw/zinc/52/73/84/958527384.db2.gz NIBAQGZVRWFAPU-XIRDDKMYSA-N -1 0 347.455 3.585 20 0 EHADRM CCCCC1CCC(C(=O)NCc2ccccc2CC(=O)[O-])CC1 ZINC000391695558 972358060 /nfs/dbraw/zinc/35/80/60/972358060.db2.gz MXLPHMXRFYGFHX-UHFFFAOYSA-N -1 0 331.456 3.927 20 0 EHADRM C[C@@](NC(=O)c1cc2ccc(F)cc2s1)(C(=O)[O-])c1ccccc1 ZINC000391674501 972355811 /nfs/dbraw/zinc/35/58/11/972355811.db2.gz LZGKXJJAUHNIMM-SFHVURJKSA-N -1 0 343.379 3.770 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c(F)c1 ZINC001594372776 958551773 /nfs/dbraw/zinc/55/17/73/958551773.db2.gz PRRQBTAYVIMXON-XJKSGUPXSA-N -1 0 328.343 3.569 20 0 EHADRM C[C@H](NC(=O)NCc1ccccc1C(=O)[O-])C(C)(C)c1ccccc1 ZINC001603232818 972358490 /nfs/dbraw/zinc/35/84/90/972358490.db2.gz ZGRYWILFLRSFAP-AWEZNQCLSA-N -1 0 340.423 3.550 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001588480332 958586889 /nfs/dbraw/zinc/58/68/89/958586889.db2.gz IQHLLUPVXBPMAZ-ILCZHQDMSA-N -1 0 335.403 3.609 20 0 EHADRM C[C@@H](C(=O)N[C@](C)(C(=O)[O-])c1ccccc1)c1cc2ccccc2o1 ZINC001573364313 958613928 /nfs/dbraw/zinc/61/39/28/958613928.db2.gz RBZWQGSJIBMZEG-XCLFUZPHSA-N -1 0 337.375 3.653 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)Nc1ccc(-c2ccc(Cl)cc2Cl)nc1 ZINC001573372584 958641265 /nfs/dbraw/zinc/64/12/65/958641265.db2.gz XIZXOOICIKDQBI-QMMMGPOBSA-N -1 0 339.178 3.715 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)c1ccc(Br)cc1 ZINC000128192176 958641946 /nfs/dbraw/zinc/64/19/46/958641946.db2.gz NCSXOCJKEJLVLU-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM COc1cccc(N(CC(C)C)C(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001594130522 958661115 /nfs/dbraw/zinc/66/11/15/958661115.db2.gz ISUKHTKNVHJTRP-UHFFFAOYSA-N -1 0 327.380 3.696 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1nc2c(cc(Cl)cc2Cl)[nH]1 ZINC001573391235 958701965 /nfs/dbraw/zinc/70/19/65/958701965.db2.gz SOGHPZMBWZZOGG-SECBINFHSA-N -1 0 344.198 3.555 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)Cc1ccccc1Br ZINC001594391049 958721320 /nfs/dbraw/zinc/72/13/20/958721320.db2.gz PRFJHZYHIQJBJL-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM COc1ccccc1C[C@@H]1CCC[C@@H]1OC(=O)CCCCC(=O)[O-] ZINC001594145341 958757806 /nfs/dbraw/zinc/75/78/06/958757806.db2.gz PTBSETDPJBYNGP-RDJZCZTQSA-N -1 0 334.412 3.595 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@H](C(=O)[O-])c1cccc(C)c1 ZINC001594394545 958758389 /nfs/dbraw/zinc/75/83/89/958758389.db2.gz UYMVCHNCKOYIMQ-SFHVURJKSA-N -1 0 336.391 3.649 20 0 EHADRM CCC[C@@H](C)N(C)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000132507180 958787670 /nfs/dbraw/zinc/78/76/70/958787670.db2.gz OPUUYOCAESHDCG-SECBINFHSA-N -1 0 343.221 3.800 20 0 EHADRM Cc1cccc([C@@H](NC(=O)Nc2c(F)cccc2Cl)C(=O)[O-])c1 ZINC001594398224 958799083 /nfs/dbraw/zinc/79/90/83/958799083.db2.gz SGHDADSLEUJLPN-CYBMUJFWSA-N -1 0 336.750 3.735 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccc(NCc2cccc(C(=O)[O-])c2)cn1 ZINC001573455357 958894160 /nfs/dbraw/zinc/89/41/60/958894160.db2.gz STUBEAXCVXTRGM-UHFFFAOYSA-N -1 0 343.383 3.739 20 0 EHADRM CC(C)[C@@H](CNC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001573490920 959024103 /nfs/dbraw/zinc/02/41/03/959024103.db2.gz DUQPQVLVDNSVSP-GOSISDBHSA-N -1 0 340.423 3.624 20 0 EHADRM CC(C)[C@H](CNC(=O)CSc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001573491451 959027502 /nfs/dbraw/zinc/02/75/02/959027502.db2.gz ISNZATAZOXXUMT-HNNXBMFYSA-N -1 0 337.485 3.549 20 0 EHADRM CC(C)[C@H](CNC(=O)N(C)[C@@H]1CCCC[C@H]1c1ccccc1)C(=O)[O-] ZINC001573492876 959032505 /nfs/dbraw/zinc/03/25/05/959032505.db2.gz WHOMPUXGNABFOK-OKZBNKHCSA-N -1 0 346.471 3.711 20 0 EHADRM Cc1ccccc1[C@H]1C[C@H](NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])C1 ZINC001594418790 959041476 /nfs/dbraw/zinc/04/14/76/959041476.db2.gz LEJLFLYWLKGMBN-BRWVUGGUSA-N -1 0 344.455 3.670 20 0 EHADRM C[C@@H](C(=O)Nc1cc(C(=O)[O-])ccn1)c1ccc(C(F)(F)F)cc1 ZINC001588557939 959075030 /nfs/dbraw/zinc/07/50/30/959075030.db2.gz LKYBENGYIQFTAW-SECBINFHSA-N -1 0 338.285 3.541 20 0 EHADRM CSc1cc(NC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)ccc1Cl ZINC001594190437 959170546 /nfs/dbraw/zinc/17/05/46/959170546.db2.gz ZWSOOFBDHSCVLH-UWVGGRQHSA-N -1 0 342.848 3.636 20 0 EHADRM CSc1ccccc1CN(C)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001594196017 959195694 /nfs/dbraw/zinc/19/56/94/959195694.db2.gz GSJNBSKSSUVMHL-UHFFFAOYSA-N -1 0 344.436 3.700 20 0 EHADRM Cc1cncc(N(Cc2ccc(F)cc2)C(=O)CCCCC(=O)[O-])c1 ZINC001594433451 959197006 /nfs/dbraw/zinc/19/70/06/959197006.db2.gz IZWZVDIREQLEGS-UHFFFAOYSA-N -1 0 344.386 3.707 20 0 EHADRM CSc1cccc(NC(=O)NCc2cccc(C(=O)[O-])c2)c1C ZINC001594196305 959197190 /nfs/dbraw/zinc/19/71/90/959197190.db2.gz KZXYWTJALBYJJH-UHFFFAOYSA-N -1 0 330.409 3.737 20 0 EHADRM C[C@@H](Nc1nc(-c2cccc(Cl)c2)nc2c1CCCC2)C(=O)[O-] ZINC001594208900 959283199 /nfs/dbraw/zinc/28/31/99/959283199.db2.gz YUXDQFZUMHBUBC-SNVBAGLBSA-N -1 0 331.803 3.561 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)O[C@H](C)c1ccccc1OCc1ccc(F)cc1 ZINC001588585463 959304571 /nfs/dbraw/zinc/30/45/71/959304571.db2.gz MNSAULAKWLGHFZ-CHWSQXEVSA-N -1 0 346.354 3.730 20 0 EHADRM Cc1nc(-c2ccc(C(=O)Nc3ccnc(C(=O)[O-])c3)s2)cs1 ZINC001594444402 959317126 /nfs/dbraw/zinc/31/71/26/959317126.db2.gz WNTICYQSKFLEBG-UHFFFAOYSA-N -1 0 345.405 3.526 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)O[C@@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC001588586981 959318803 /nfs/dbraw/zinc/31/88/03/959318803.db2.gz UZKQMAANXPUJJZ-RCOVLWMOSA-N -1 0 344.207 3.573 20 0 EHADRM Cc1nc(Cl)ccc1COC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001594452978 959393820 /nfs/dbraw/zinc/39/38/20/959393820.db2.gz FEIUXMWNVHXXME-UHFFFAOYSA-N -1 0 325.792 3.512 20 0 EHADRM Cc1cc(Cl)ccc1NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000392212645 972427782 /nfs/dbraw/zinc/42/77/82/972427782.db2.gz ZVJJMMKLTYTMLP-HNNXBMFYSA-N -1 0 344.798 3.864 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)Cc2ccc3ccccc3c2)c2ccccc21 ZINC000177472822 959422527 /nfs/dbraw/zinc/42/25/27/959422527.db2.gz LGLKIOAOUSSCFK-GOSISDBHSA-N -1 0 331.371 3.597 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)Cc2ccc3ccccc3c2)c2ccccc21 ZINC000177472804 959422571 /nfs/dbraw/zinc/42/25/71/959422571.db2.gz LGLKIOAOUSSCFK-SFHVURJKSA-N -1 0 331.371 3.597 20 0 EHADRM O=C([O-])c1coc(C(=O)N(CCc2cccc(F)c2)C2CCCC2)c1 ZINC000183816059 959452310 /nfs/dbraw/zinc/45/23/10/959452310.db2.gz ZWACHKKILYYTLZ-UHFFFAOYSA-N -1 0 345.370 3.744 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000392232940 972430167 /nfs/dbraw/zinc/43/01/67/972430167.db2.gz BUJSEYIBFCVXQX-UHFFFAOYSA-N -1 0 339.435 3.880 20 0 EHADRM C[C@H](NC(=O)C1(C(=O)[O-])CCC1)c1cc(Cl)cc(Cl)c1F ZINC001573610355 959475068 /nfs/dbraw/zinc/47/50/68/959475068.db2.gz HRSZWXKHCJELGN-ZETCQYMHSA-N -1 0 334.174 3.565 20 0 EHADRM Cc1cc(C)c(CC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)c(C)c1 ZINC000190492215 959511272 /nfs/dbraw/zinc/51/12/72/959511272.db2.gz LXQQXBBQJJSVHS-GOSISDBHSA-N -1 0 343.398 3.626 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccccc2OC(F)(F)F)cc1 ZINC000190598943 959514985 /nfs/dbraw/zinc/51/49/85/959514985.db2.gz OWXBYJALERKQDE-UHFFFAOYSA-N -1 0 325.242 3.536 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000190763617 959520061 /nfs/dbraw/zinc/52/00/61/959520061.db2.gz OCRQLAIOVQBOGE-OAHLLOKOSA-N -1 0 335.762 3.815 20 0 EHADRM C[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1cccc(Cl)c1Cl ZINC001573622686 959521658 /nfs/dbraw/zinc/52/16/58/959521658.db2.gz MMYJZTUGNBDIBX-KXUCPTDWSA-N -1 0 330.211 3.672 20 0 EHADRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2C)nn1-c1ccc(C)cc1 ZINC000190869728 959525971 /nfs/dbraw/zinc/52/59/71/959525971.db2.gz BXHIPUNRMIZLQM-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM CC[C@H](C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1)c1ccc(F)cc1 ZINC000190888676 959527971 /nfs/dbraw/zinc/52/79/71/959527971.db2.gz VZCRUANJNJBPAX-HNNXBMFYSA-N -1 0 333.359 3.578 20 0 EHADRM CC[C@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000190918763 959528545 /nfs/dbraw/zinc/52/85/45/959528545.db2.gz APZJOSHEMZWCHC-KRWDZBQOSA-N -1 0 329.371 3.676 20 0 EHADRM C[C@H](Nc1ncnc2sc3c(c21)CCC3)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603256132 972440141 /nfs/dbraw/zinc/44/01/41/972440141.db2.gz GSHBZRKQMBZTOI-ZMLRMANQSA-N -1 0 345.468 3.727 20 0 EHADRM Cc1c(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cnn1C1CCCC1 ZINC000191013904 959536105 /nfs/dbraw/zinc/53/61/05/959536105.db2.gz WJVMLUFFWIJIKC-UHFFFAOYSA-N -1 0 347.802 3.911 20 0 EHADRM CC[C@@H]1CN(C(=O)CC(C)(C)CC(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000191139061 959541419 /nfs/dbraw/zinc/54/14/19/959541419.db2.gz BETJQDIZRDNDOP-WBVHZDCISA-N -1 0 331.456 3.920 20 0 EHADRM CCCC[C@H](NC(=O)c1cc(-c2ccccn2)ccc1Cl)C(=O)[O-] ZINC000191233823 959546968 /nfs/dbraw/zinc/54/69/68/959546968.db2.gz ZXCWULTYDRBOQW-INIZCTEOSA-N -1 0 346.814 3.775 20 0 EHADRM CC(C)c1nc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cs1 ZINC000191388719 959557145 /nfs/dbraw/zinc/55/71/45/959557145.db2.gz CNVGFQQTDFQNOF-NSHDSACASA-N -1 0 332.425 3.782 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1)C(=O)[O-] ZINC000191411532 959562401 /nfs/dbraw/zinc/56/24/01/959562401.db2.gz PIFIZOBCVSYWIM-NSHDSACASA-N -1 0 349.333 3.804 20 0 EHADRM Cc1cccc(OCCC(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC000191427599 959566651 /nfs/dbraw/zinc/56/66/51/959566651.db2.gz HXXQZCPJSBWSBZ-HNNXBMFYSA-N -1 0 341.407 3.666 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)Cn2ccc3ccccc32)cc1)C(=O)[O-] ZINC000191432338 959567911 /nfs/dbraw/zinc/56/79/11/959567911.db2.gz IBRFYCVVASAPJH-CQSZACIVSA-N -1 0 336.391 3.543 20 0 EHADRM O=C([O-])C1(CNC(=O)C2(c3cccc(Cl)c3)CC2)CCCCC1 ZINC000191516040 959575181 /nfs/dbraw/zinc/57/51/81/959575181.db2.gz WVJCASVIQCSAQN-UHFFFAOYSA-N -1 0 335.831 3.523 20 0 EHADRM CCc1ccsc1C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000191547953 959581404 /nfs/dbraw/zinc/58/14/04/959581404.db2.gz VNBZLFQDFBDBMK-HNNXBMFYSA-N -1 0 331.437 3.516 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)cc1 ZINC000191616147 959584871 /nfs/dbraw/zinc/58/48/71/959584871.db2.gz WBJPERNCPYPECT-UHFFFAOYSA-N -1 0 341.697 3.892 20 0 EHADRM Cc1cc(C)cc([C@@H]2CCN(C(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)C2)c1 ZINC000191685397 959590790 /nfs/dbraw/zinc/59/07/90/959590790.db2.gz SAVIMEUFRHDLEJ-YESZJQIVSA-N -1 0 329.440 3.510 20 0 EHADRM Cc1[nH]c2ccccc2c1C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001594250149 959603488 /nfs/dbraw/zinc/60/34/88/959603488.db2.gz POXSNDFXYGRTEQ-DOTOQJQBSA-N -1 0 334.375 3.519 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N[C@@H]1CCc2cccc3cccc1c32 ZINC001588636134 959662212 /nfs/dbraw/zinc/66/22/12/959662212.db2.gz XABVLWRMCJGDLQ-WBVHZDCISA-N -1 0 325.408 3.690 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001573665135 959686728 /nfs/dbraw/zinc/68/67/28/959686728.db2.gz PYRAUNUBGOYSTK-WPKBUWHJSA-N -1 0 335.831 3.593 20 0 EHADRM CC(C)(C)[C@@H]1Cc2ccccc2N(C(=O)C2(C(=O)[O-])CC=CC2)C1 ZINC001588642696 959703980 /nfs/dbraw/zinc/70/39/80/959703980.db2.gz JIJJWTWZOPFAOY-OAHLLOKOSA-N -1 0 327.424 3.659 20 0 EHADRM Cc1c2nc(NC(=O)Cc3ccccc3C(=O)[O-])sc2ccc1F ZINC001594262365 959706200 /nfs/dbraw/zinc/70/62/00/959706200.db2.gz JEZWTZLKKUVAFO-UHFFFAOYSA-N -1 0 344.367 3.623 20 0 EHADRM CC1(C)CCc2ccccc2[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001573675733 959723957 /nfs/dbraw/zinc/72/39/57/959723957.db2.gz NENJBBHMMRYJMO-ZMSDIMECSA-N -1 0 329.440 3.707 20 0 EHADRM Cc1noc(-c2ccccc2)c1NC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC001594495450 959750181 /nfs/dbraw/zinc/75/01/81/959750181.db2.gz VIFQIAZYPHQZET-CQSZACIVSA-N -1 0 345.399 3.518 20 0 EHADRM Cc1cc(-c2ncccc2NC(=O)NC2(C(=O)[O-])CCCC2)cs1 ZINC001594268238 959765681 /nfs/dbraw/zinc/76/56/81/959765681.db2.gz NIAALDIQHAKPIK-UHFFFAOYSA-N -1 0 345.424 3.637 20 0 EHADRM CCCN(C(=O)C(c1ccccc1)c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000218267687 959785525 /nfs/dbraw/zinc/78/55/25/959785525.db2.gz YRDPSYAEVZYCFG-HNNXBMFYSA-N -1 0 325.408 3.530 20 0 EHADRM CCC1CCC(NC(=O)CCOc2cc(C)cc(C)c2)(C(=O)[O-])CC1 ZINC000392297269 972466849 /nfs/dbraw/zinc/46/68/49/972466849.db2.gz VFVVFWQZWXNTNF-UHFFFAOYSA-N -1 0 347.455 3.612 20 0 EHADRM Cc1cc(Br)cc(NC(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000232048172 960241218 /nfs/dbraw/zinc/24/12/18/960241218.db2.gz NZQFMFPSRCHULU-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM COc1ccccc1NCc1ccc(C(=O)[O-])cc1Br ZINC000232427538 960267019 /nfs/dbraw/zinc/26/70/19/960267019.db2.gz DXLCGXFYZPHJGQ-UHFFFAOYSA-N -1 0 336.185 3.768 20 0 EHADRM COc1cccc(-c2nc3ccccc3c(N[C@@H](C)CC(=O)[O-])n2)c1 ZINC001574227205 960405586 /nfs/dbraw/zinc/40/55/86/960405586.db2.gz STMOFJUSDLENHK-LBPRGKRZSA-N -1 0 337.379 3.581 20 0 EHADRM COc1ccc2ccc(OC(=O)[C@]3(C(=O)[O-])CC=CCC3)cc2c1 ZINC001574227176 960406023 /nfs/dbraw/zinc/40/60/23/960406023.db2.gz QZTSNLHBBAKXJC-LJQANCHMSA-N -1 0 326.348 3.565 20 0 EHADRM COc1cccc(C[C@@H](C)CC(=O)Nc2ccccc2C(=O)[O-])c1 ZINC001574232132 960413175 /nfs/dbraw/zinc/41/31/75/960413175.db2.gz PIANDWHCFKOPBG-CYBMUJFWSA-N -1 0 327.380 3.601 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H]1NC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000392608504 972502356 /nfs/dbraw/zinc/50/23/56/972502356.db2.gz KFCJQZQZLMTQOP-ROUUACIJSA-N -1 0 336.391 3.633 20 0 EHADRM CC(C)(C)N(Cc1ccccc1)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC001588659297 960429456 /nfs/dbraw/zinc/42/94/56/960429456.db2.gz LMXUCUPQJWKMLT-UHFFFAOYSA-N -1 0 341.407 3.591 20 0 EHADRM Cc1cc(C(=O)[O-])c(NC(=O)c2nc(Cl)ccc2Cl)s1 ZINC000235849243 960517794 /nfs/dbraw/zinc/51/77/94/960517794.db2.gz ZLQJBBPLRUNEEL-UHFFFAOYSA-N -1 0 331.180 3.709 20 0 EHADRM CSc1ccc(Cl)c(NC(=O)N[C@H](CC(C)C)C(=O)[O-])c1 ZINC001574257720 960548619 /nfs/dbraw/zinc/54/86/19/960548619.db2.gz OLFCMTHGRKWATD-GFCCVEGCSA-N -1 0 330.837 3.683 20 0 EHADRM C[C@@H](NC(=O)c1coc(/C=C\C(=O)[O-])c1)c1cc2ccccc2o1 ZINC001574261398 960571513 /nfs/dbraw/zinc/57/15/13/960571513.db2.gz SZLFCSGTUYCHJB-JMEBYUIHSA-N -1 0 325.320 3.615 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](c2nc(-c3cc(Br)cs3)no2)C1 ZINC000236444004 960609499 /nfs/dbraw/zinc/60/94/99/960609499.db2.gz UCRZOMCHOUULLN-NKWVEPMBSA-N -1 0 343.202 3.529 20 0 EHADRM CCOC(=O)CN(Cc1ccc(C(=O)[O-])s1)[C@H](C)c1ccccc1 ZINC001231465957 960618125 /nfs/dbraw/zinc/61/81/25/960618125.db2.gz OWHMNBBMMMUSFG-CYBMUJFWSA-N -1 0 347.436 3.573 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(Cl)nc2Cl)ccc1Cl ZINC000236464927 960639473 /nfs/dbraw/zinc/63/94/73/960639473.db2.gz DHLCWPNCMXEXAV-UHFFFAOYSA-N -1 0 345.569 3.992 20 0 EHADRM CC[C@H](C)OCC(=O)Nc1sc2c(c1C(=O)[O-])CCC(C)(C)C2 ZINC001573776034 960679740 /nfs/dbraw/zinc/67/97/40/960679740.db2.gz DGZOIQZZCWOVFX-JTQLQIEISA-N -1 0 339.457 3.715 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000236608878 960715334 /nfs/dbraw/zinc/71/53/34/960715334.db2.gz WIDWJWDXRSWVRC-MCIONIFRSA-N -1 0 344.238 3.712 20 0 EHADRM CCC(CC)(CNC(=O)[C@@]1(C(=O)[O-])CC1(C)C)c1ccc(F)cc1 ZINC001573783674 960718478 /nfs/dbraw/zinc/71/84/78/960718478.db2.gz QDAZXOLKLWIASW-LJQANCHMSA-N -1 0 335.419 3.501 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000236664328 960728163 /nfs/dbraw/zinc/72/81/63/960728163.db2.gz AXIVZPHHJQMKLG-LBPRGKRZSA-N -1 0 345.361 3.768 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000236679056 960730996 /nfs/dbraw/zinc/73/09/96/960730996.db2.gz IQXMGSUVKMECSV-ROUUACIJSA-N -1 0 325.408 3.513 20 0 EHADRM CC(C)CCC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000236687873 960731726 /nfs/dbraw/zinc/73/17/26/960731726.db2.gz OCOXJKYAUNIVBA-ZDUSSCGKSA-N -1 0 347.333 3.653 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)c1cccc(Oc2ccccc2)c1 ZINC000236694985 960732817 /nfs/dbraw/zinc/73/28/17/960732817.db2.gz GZFZAYXBJJNAJQ-UHFFFAOYSA-N -1 0 327.380 3.662 20 0 EHADRM Cc1cc(Br)ccc1OC(=O)c1cccc(C(=O)[O-])c1 ZINC001574307632 960750163 /nfs/dbraw/zinc/75/01/63/960750163.db2.gz FUVKEPCJBUYNPZ-UHFFFAOYSA-N -1 0 335.153 3.675 20 0 EHADRM CCC(CC)n1nccc1C(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC001573791100 960751613 /nfs/dbraw/zinc/75/16/13/960751613.db2.gz FZSQEYZFJZTAIS-UHFFFAOYSA-N -1 0 341.411 3.535 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000236765095 960753565 /nfs/dbraw/zinc/75/35/65/960753565.db2.gz MQXWBYUZPBPEPT-UHFFFAOYSA-N -1 0 342.439 3.620 20 0 EHADRM CN(C(=O)Cc1csc2ccc(Cl)cc12)C(C)(C)CC(=O)[O-] ZINC001261762856 960757340 /nfs/dbraw/zinc/75/73/40/960757340.db2.gz IRMBORHCMGDVCD-UHFFFAOYSA-N -1 0 339.844 3.809 20 0 EHADRM CCC(CC)(CNC(=O)Cc1coc2cc(C)c(C)cc12)C(=O)[O-] ZINC000236848107 960774223 /nfs/dbraw/zinc/77/42/23/960774223.db2.gz DBGHTLLZHQLXNS-UHFFFAOYSA-N -1 0 331.412 3.599 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCc3ccc(Cl)cc3C2)c1 ZINC001574314850 960775837 /nfs/dbraw/zinc/77/58/37/960775837.db2.gz CMGDRCASDMXMQI-UHFFFAOYSA-N -1 0 329.783 3.545 20 0 EHADRM CCSCc1ccc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000236859869 960780190 /nfs/dbraw/zinc/78/01/90/960780190.db2.gz DLKJIXVYHKRVFT-UHFFFAOYSA-N -1 0 343.448 3.910 20 0 EHADRM CCCC[C@H](NC(=O)c1ccc(COc2ccccc2)cc1)C(=O)[O-] ZINC000236876524 960786874 /nfs/dbraw/zinc/78/68/74/960786874.db2.gz PFQAEFUEWALEGA-SFHVURJKSA-N -1 0 341.407 3.639 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)CCc1cccc(OC2CCCC2)c1 ZINC000236891880 960791851 /nfs/dbraw/zinc/79/18/51/960791851.db2.gz AABWUCWMNGUTOO-HNNXBMFYSA-N -1 0 347.455 3.652 20 0 EHADRM CC/C(=C/C(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccc(C)cc1 ZINC000236892762 960792093 /nfs/dbraw/zinc/79/20/93/960792093.db2.gz GBBVDBYOSGKKQR-UDLNKVAWSA-N -1 0 329.440 3.892 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000236926687 960799090 /nfs/dbraw/zinc/79/90/90/960799090.db2.gz QZIIRYRNYZSSIZ-VIFPVBQESA-N -1 0 335.347 3.624 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)/C=C(/C)c1cccc(C(F)(F)F)c1 ZINC000236918875 960800398 /nfs/dbraw/zinc/80/03/98/960800398.db2.gz DVKPZRRFBBLCQR-KGTBHZDVSA-N -1 0 343.345 3.820 20 0 EHADRM CCC[C@H](NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000236993890 960828059 /nfs/dbraw/zinc/82/80/59/960828059.db2.gz IBLSJDGVEAONSC-IRXDYDNUSA-N -1 0 343.448 3.890 20 0 EHADRM CCC[C@H](NC(=O)c1ccc(-c2ccc(C)cc2)cc1F)C(=O)[O-] ZINC000237019430 960837246 /nfs/dbraw/zinc/83/72/46/960837246.db2.gz LUHXBDONQCLZLD-KRWDZBQOSA-N -1 0 329.371 3.784 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000237015662 960837472 /nfs/dbraw/zinc/83/74/72/960837472.db2.gz QNMODFIIIXKHAS-PSLIRLAXSA-N -1 0 348.226 3.520 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)Cc1coc2cc(C)c(C(C)C)cc12 ZINC000237032343 960845323 /nfs/dbraw/zinc/84/53/23/960845323.db2.gz RVQQBBYEYJEOCH-UHFFFAOYSA-N -1 0 331.412 3.730 20 0 EHADRM CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(CC)[C@H](C)C(=O)[O-] ZINC001573809152 960869351 /nfs/dbraw/zinc/86/93/51/960869351.db2.gz LQJBUIJWKHAREZ-YPMHNXCESA-N -1 0 345.361 3.596 20 0 EHADRM CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(CC)[C@@H](C)C(=O)[O-] ZINC001573809149 960869518 /nfs/dbraw/zinc/86/95/18/960869518.db2.gz LQJBUIJWKHAREZ-AAEUAGOBSA-N -1 0 345.361 3.596 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)c1cc(C)ccc1C ZINC001573810202 960881378 /nfs/dbraw/zinc/88/13/78/960881378.db2.gz AXPJZQMTYXDNML-GOSISDBHSA-N -1 0 341.407 3.648 20 0 EHADRM Cc1cc(F)ccc1[C@H](C)NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001574332915 960896121 /nfs/dbraw/zinc/89/61/21/960896121.db2.gz FXIKCPNRCSHUHX-LBPRGKRZSA-N -1 0 330.359 3.644 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C(C)(C)c1ccc(Cl)cc1 ZINC000237268259 960898855 /nfs/dbraw/zinc/89/88/55/960898855.db2.gz QHIJHXWDGSINIR-UHFFFAOYSA-N -1 0 345.826 3.974 20 0 EHADRM COc1ccc(CNC(=O)[C@H](C)CC2CCCCC2)cc1C(=O)[O-] ZINC000237300937 960907269 /nfs/dbraw/zinc/90/72/69/960907269.db2.gz LYGUGXCNTNHORY-CYBMUJFWSA-N -1 0 333.428 3.616 20 0 EHADRM Cc1cc(NC(=O)Nc2ccc3c(c2)CCCN3C)ccc1C(=O)[O-] ZINC001574338359 960925559 /nfs/dbraw/zinc/92/55/59/960925559.db2.gz PMVPUFILEZEPFB-UHFFFAOYSA-N -1 0 339.395 3.720 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)NCCc2ccc(C(C)C)cc2)C1 ZINC001573818387 960927858 /nfs/dbraw/zinc/92/78/58/960927858.db2.gz BQUDGNMTZFUUFX-FQEVSTJZSA-N -1 0 346.471 3.639 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)c2ccc(F)cc2n1 ZINC001319222056 960929356 /nfs/dbraw/zinc/92/93/56/960929356.db2.gz MDJZOWYNVWERPX-UHFFFAOYSA-N -1 0 338.338 3.941 20 0 EHADRM C[C@@H]1CCc2c(C(=O)Nc3cccc(OCC(=O)[O-])c3)csc2C1 ZINC000237439122 960933789 /nfs/dbraw/zinc/93/37/89/960933789.db2.gz RJMRYPLJQSOHQR-LLVKDONJSA-N -1 0 345.420 3.589 20 0 EHADRM C[C@@H]1CCc2c(C(=O)N[C@@H](CC(=O)[O-])c3cccs3)csc2C1 ZINC000237438061 960935049 /nfs/dbraw/zinc/93/50/49/960935049.db2.gz OCRAXJWCBNIJPG-MFKMUULPSA-N -1 0 349.477 3.880 20 0 EHADRM Cc1cc(NC(=O)c2cnc(Oc3ccccc3)cn2)ccc1C(=O)[O-] ZINC001574341005 960935991 /nfs/dbraw/zinc/93/59/91/960935991.db2.gz FBLUEKWSJWJIRQ-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc3cc(C)ccc3o2)cc1 ZINC001319406269 960944249 /nfs/dbraw/zinc/94/42/49/960944249.db2.gz FGJQQFFNOFLUBW-MRXNPFEDSA-N -1 0 337.375 3.995 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001319850959 960961389 /nfs/dbraw/zinc/96/13/89/960961389.db2.gz ISKZYAQJBMTRNC-PMPSAXMXSA-N -1 0 343.448 3.801 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000237640013 960980919 /nfs/dbraw/zinc/98/09/19/960980919.db2.gz XPAFJWRRSKKUML-ZWKOTPCHSA-N -1 0 339.391 3.591 20 0 EHADRM Cc1ccc(C)c(OCCC(=O)Nc2cc(C(=O)[O-])ccc2F)c1 ZINC000237652597 960986601 /nfs/dbraw/zinc/98/66/01/960986601.db2.gz XOVXPMSEPBCLNO-UHFFFAOYSA-N -1 0 331.343 3.548 20 0 EHADRM Cc1ccc(C(=O)NCc2cccc(C(=O)[O-])c2)cc1C(F)(F)F ZINC001574357359 961007502 /nfs/dbraw/zinc/00/75/02/961007502.db2.gz OOJXKTWCMWLEEY-UHFFFAOYSA-N -1 0 337.297 3.642 20 0 EHADRM Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc(C(=O)[O-])cc3)s2)o1 ZINC000237765893 961018912 /nfs/dbraw/zinc/01/89/12/961018912.db2.gz OODRYSGUOSSDNQ-UHFFFAOYSA-N -1 0 342.376 3.970 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H](C)c2cccc(C)c2)cc1 ZINC001324012254 961023504 /nfs/dbraw/zinc/02/35/04/961023504.db2.gz UKWUBYDOICXLLN-CRAIPNDOSA-N -1 0 325.408 3.739 20 0 EHADRM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000237798624 961026017 /nfs/dbraw/zinc/02/60/17/961026017.db2.gz SWXNVENRGAIQHU-LSDHHAIUSA-N -1 0 345.420 3.652 20 0 EHADRM CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001324184291 961027654 /nfs/dbraw/zinc/02/76/54/961027654.db2.gz OZZVYVFVBNTXCY-OAHLLOKOSA-N -1 0 331.343 3.628 20 0 EHADRM Cc1ccc(CNC(=O)[C@@H](C(=O)[O-])C2CC2)c(OCCCC(C)C)c1 ZINC001574366430 961039100 /nfs/dbraw/zinc/03/91/00/961039100.db2.gz FHIPMAFUXPNIMD-SFHVURJKSA-N -1 0 347.455 3.537 20 0 EHADRM CCC[C@@H](NC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)C(C)(C)C ZINC001573835907 961050250 /nfs/dbraw/zinc/05/02/50/961050250.db2.gz KDXOZWMIOYNOIR-BEFAXECRSA-N -1 0 334.460 3.543 20 0 EHADRM CCC[C@H](NC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)C(C)(C)C ZINC001573835910 961050565 /nfs/dbraw/zinc/05/05/65/961050565.db2.gz KDXOZWMIOYNOIR-KXBFYZLASA-N -1 0 334.460 3.543 20 0 EHADRM Cc1ccc(CO[C@H](C)C(=O)Nc2c(C)cccc2C(=O)[O-])cc1 ZINC001574368405 961055489 /nfs/dbraw/zinc/05/54/89/961055489.db2.gz YCMOYBIYELIAGO-CQSZACIVSA-N -1 0 327.380 3.545 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1cccs1 ZINC000238002384 961070746 /nfs/dbraw/zinc/07/07/46/961070746.db2.gz NMVGRGFDDJPRKZ-LBPRGKRZSA-N -1 0 348.811 3.829 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2C[C@H]3CCCC[C@@]32c2ccccc2)cc1 ZINC000238014163 961074840 /nfs/dbraw/zinc/07/48/40/961074840.db2.gz LZNPDGMCWPRLAF-WIYYLYMNSA-N -1 0 335.403 3.926 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)o1 ZINC000238013237 961075372 /nfs/dbraw/zinc/07/53/72/961075372.db2.gz DOEPMDVTGVHGKM-LLVKDONJSA-N -1 0 342.376 3.565 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2cc3c(s2)CCCCC3)C1 ZINC000238018397 961076975 /nfs/dbraw/zinc/07/69/75/961076975.db2.gz CFFBHIHUGNOVMM-CYBMUJFWSA-N -1 0 335.469 3.734 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000238022118 961079411 /nfs/dbraw/zinc/07/94/11/961079411.db2.gz DENYWKQRMBFKTM-ZWKOTPCHSA-N -1 0 339.391 3.672 20 0 EHADRM CC(C)(C)c1ccc([C@H](NC(=O)CCCC(=O)[O-])C(F)(F)F)cc1 ZINC001326392382 961086753 /nfs/dbraw/zinc/08/67/53/961086753.db2.gz XAQCQVIEAQSFQH-HNNXBMFYSA-N -1 0 345.361 3.959 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(OC(F)(F)F)c2)s1 ZINC000238058716 961089145 /nfs/dbraw/zinc/08/91/45/961089145.db2.gz VWUDSLBZNJTRMN-UHFFFAOYSA-N -1 0 331.271 3.597 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC001588734286 961117547 /nfs/dbraw/zinc/11/75/47/961117547.db2.gz GMZYRBWPWOHYBU-OAHLLOKOSA-N -1 0 333.428 3.723 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1 ZINC000238131774 961119625 /nfs/dbraw/zinc/11/96/25/961119625.db2.gz NNABTNNBSDXCRZ-UHFFFAOYSA-N -1 0 341.697 3.892 20 0 EHADRM O=C([O-])CCCCCNC(=O)CCc1ccc(-c2ccccc2F)o1 ZINC000238141411 961124689 /nfs/dbraw/zinc/12/46/89/961124689.db2.gz HGMDOIAPLVVSDJ-UHFFFAOYSA-N -1 0 347.386 3.780 20 0 EHADRM CC(C)(C)OCc1cccc(CNC(=O)[C@H](C(=O)[O-])C2CCCC2)c1 ZINC001588735039 961136541 /nfs/dbraw/zinc/13/65/41/961136541.db2.gz ZMMWZAFZAVJCDI-QGZVFWFLSA-N -1 0 347.455 3.509 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)Cc3cccc(F)c3)ccc2s1 ZINC000238208379 961161978 /nfs/dbraw/zinc/16/19/78/961161978.db2.gz QNQOPCNSNVEYKT-UHFFFAOYSA-N -1 0 329.352 3.920 20 0 EHADRM CC(C)(C)c1ccccc1COC(=O)C1(C(=O)[O-])CCSCC1 ZINC001588741356 961171368 /nfs/dbraw/zinc/17/13/68/961171368.db2.gz ABYTUEDLRITERI-UHFFFAOYSA-N -1 0 336.453 3.625 20 0 EHADRM CC(C)(C)c1ccc2[nH]c(C(=O)NC3(CC(=O)[O-])CCC3)cc2c1 ZINC001588742175 961176944 /nfs/dbraw/zinc/17/69/44/961176944.db2.gz VXORUVZQELJOHL-UHFFFAOYSA-N -1 0 328.412 3.593 20 0 EHADRM Cc1cccc(C)c1OC[C@H](C)NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001574394977 961203271 /nfs/dbraw/zinc/20/32/71/961203271.db2.gz LSXNGNDCHSEBHX-AWEZNQCLSA-N -1 0 342.395 3.591 20 0 EHADRM Cc1ccc2cc(Cl)cc(C(=O)N(C)C(C)(C)CC(=O)[O-])c2n1 ZINC001328575626 961212899 /nfs/dbraw/zinc/21/28/99/961212899.db2.gz XIVCHMWCKHBRRW-UHFFFAOYSA-N -1 0 334.803 3.522 20 0 EHADRM Cc1ccccc1C1(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CCCC1 ZINC001574401253 961229414 /nfs/dbraw/zinc/22/94/14/961229414.db2.gz CGGYLOWPVULJKY-MRXNPFEDSA-N -1 0 331.456 3.670 20 0 EHADRM Cc1cccc2c1CC(C)(C)N(C(=O)c1coc(/C=C\C(=O)[O-])c1)C2 ZINC001574402449 961245103 /nfs/dbraw/zinc/24/51/03/961245103.db2.gz KJZPCXSGFNTPCL-FPLPWBNLSA-N -1 0 339.391 3.663 20 0 EHADRM Cc1coc(-c2cccc(NC(=O)C3(C(=O)[O-])CCCCC3)c2)n1 ZINC001574412721 961303948 /nfs/dbraw/zinc/30/39/48/961303948.db2.gz RVZZEDOQGMFCCY-UHFFFAOYSA-N -1 0 328.368 3.624 20 0 EHADRM Cc1coc(C(=O)Nc2sc3c(c2C(=O)[O-])C[C@@H](C)O[C@H]3C)c1 ZINC001574412752 961305090 /nfs/dbraw/zinc/30/50/90/961305090.db2.gz UJDCTTODBSGIJQ-BDAKNGLRSA-N -1 0 335.381 3.622 20 0 EHADRM CC(C)(C)c1ccccc1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000261657670 961386405 /nfs/dbraw/zinc/38/64/05/961386405.db2.gz KENJELGOPVIBJI-UHFFFAOYSA-N -1 0 327.380 3.700 20 0 EHADRM CN(C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)C1(C(=O)[O-])CCCCC1 ZINC000261924586 961400059 /nfs/dbraw/zinc/40/00/59/961400059.db2.gz SCHVGVSRYZZGJX-RYUDHWBXSA-N -1 0 335.366 3.601 20 0 EHADRM Cc1ccc([C@@H](C)CNC(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC000262070420 961428769 /nfs/dbraw/zinc/42/87/69/961428769.db2.gz AFHVCIBNFGPKJJ-HNNXBMFYSA-N -1 0 325.408 3.546 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(C)C(=O)CCc1ccccc1C(=O)[O-] ZINC000262078393 961439420 /nfs/dbraw/zinc/43/94/20/961439420.db2.gz BGZGBGDZRDUKIC-SFHVURJKSA-N -1 0 339.435 3.797 20 0 EHADRM CC[C@H](CC(=O)NCCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000262091680 961449431 /nfs/dbraw/zinc/44/94/31/961449431.db2.gz COVYSBQTKPPZTD-MRXNPFEDSA-N -1 0 325.408 3.627 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCc2ccc(-c3ccccc3)cc2C1 ZINC001588803543 961450832 /nfs/dbraw/zinc/45/08/32/961450832.db2.gz DROIWVJKANAOLC-IBGZPJMESA-N -1 0 337.419 3.595 20 0 EHADRM CC[C@@H](NC(=O)CCc1ccccc1C(=O)[O-])c1ccc(OC)cc1 ZINC000262141021 961493614 /nfs/dbraw/zinc/49/36/14/961493614.db2.gz ILTHWIGFSBXDBF-GOSISDBHSA-N -1 0 341.407 3.594 20 0 EHADRM CC[C@H](NC(=O)CCc1ccccc1C(=O)[O-])c1ccc(OC)cc1 ZINC000262141023 961493872 /nfs/dbraw/zinc/49/38/72/961493872.db2.gz ILTHWIGFSBXDBF-SFHVURJKSA-N -1 0 341.407 3.594 20 0 EHADRM CCC[C@@H](C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000262171633 961521274 /nfs/dbraw/zinc/52/12/74/961521274.db2.gz PAPAYWKPYAKHAG-RTBURBONSA-N -1 0 337.419 3.781 20 0 EHADRM CC(C)Oc1ccc([C@@H](C)NC(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC000262222153 961567517 /nfs/dbraw/zinc/56/75/17/961567517.db2.gz MTHWWXAJDWMQHJ-CQSZACIVSA-N -1 0 341.407 3.592 20 0 EHADRM CCC(CC)[C@H]1C[C@@H](NC(=O)c2ccc3[n-]c(=S)oc3c2)CCO1 ZINC000183225361 1125478287 /nfs/dbraw/zinc/47/82/87/1125478287.db2.gz DONFSSCNWHTSET-DZGCQCFKSA-N -1 0 348.468 3.830 20 0 EHADRM CC(C)[C@@H](CNC(=O)C1(C(=O)[O-])CCCCC1)Cc1ccccc1 ZINC001588816266 961579695 /nfs/dbraw/zinc/57/96/95/961579695.db2.gz BAPXXLJOOSZDSU-QGZVFWFLSA-N -1 0 331.456 3.653 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)[C@@H]1OCCc2sccc21 ZINC001332613387 961602310 /nfs/dbraw/zinc/60/23/10/961602310.db2.gz HGKBHXMJOFHBAB-ZBEGNZNMSA-N -1 0 345.420 3.643 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000262280110 961614849 /nfs/dbraw/zinc/61/48/49/961614849.db2.gz ZKZCXUXSYIHAMT-HXUWFJFHSA-N -1 0 349.430 3.996 20 0 EHADRM CC(C)c1sc(NC(=O)C(C)(C)Oc2ccccc2)nc1C(=O)[O-] ZINC001332636487 961614941 /nfs/dbraw/zinc/61/49/41/961614941.db2.gz HXNZXRYZDYGONR-UHFFFAOYSA-N -1 0 348.424 3.761 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2N2CCCCCC2)o1 ZINC001332647928 961622527 /nfs/dbraw/zinc/62/25/27/961622527.db2.gz VYLDLMWMYYKXBZ-UHFFFAOYSA-N -1 0 328.368 3.611 20 0 EHADRM CC(C)[C@@H](CNC(=O)N1C[C@H](C(C)(C)C)c2ccccc21)C(=O)[O-] ZINC001588821641 961631832 /nfs/dbraw/zinc/63/18/32/961631832.db2.gz QYUGCQRJTRZCGB-CABCVRRESA-N -1 0 332.444 3.703 20 0 EHADRM CC(C)[C@@H](CNC(=O)N[C@@H](c1ccccc1)C1CCCC1)C(=O)[O-] ZINC001588823671 961652500 /nfs/dbraw/zinc/65/25/00/961652500.db2.gz PDBVKPINVGMXHZ-SJORKVTESA-N -1 0 332.444 3.574 20 0 EHADRM C/C(=C\C(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1)c1cccc(F)c1 ZINC001333521625 961712365 /nfs/dbraw/zinc/71/23/65/961712365.db2.gz LFYLDWNSXUINKL-PMXLPMHFSA-N -1 0 341.382 3.870 20 0 EHADRM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000262435467 961719845 /nfs/dbraw/zinc/71/98/45/961719845.db2.gz TVGZBSLHJBOXST-LSDHHAIUSA-N -1 0 329.421 3.816 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2ccco2)C2CCCC2)c(F)c1 ZINC000262448921 961728016 /nfs/dbraw/zinc/72/80/16/961728016.db2.gz ULLOJVBYMLWPRZ-UHFFFAOYSA-N -1 0 331.343 3.702 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1C(=O)[O-] ZINC000262559671 961772003 /nfs/dbraw/zinc/77/20/03/961772003.db2.gz ZFQQBGKTAKKJRA-WDEREUQCSA-N -1 0 347.333 3.613 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@H]2C[C@]23CCc2ccccc23)c1 ZINC000262568368 961774436 /nfs/dbraw/zinc/77/44/36/961774436.db2.gz YKEWKKRJWUSNNB-NQIIRXRSSA-N -1 0 335.403 3.546 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1 ZINC000262573726 961779021 /nfs/dbraw/zinc/77/90/21/961779021.db2.gz NQVSGRZFPYXIGL-UHFFFAOYSA-N -1 0 343.379 3.580 20 0 EHADRM C[C@H](CCc1ccco1)NC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000262669303 961800381 /nfs/dbraw/zinc/80/03/81/961800381.db2.gz WUBGADMTMNXHBT-CHWSQXEVSA-N -1 0 347.436 3.596 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)o1 ZINC000262675692 961802073 /nfs/dbraw/zinc/80/20/73/961802073.db2.gz AGNAOEYEHDIDNT-MIGQKNRLSA-N -1 0 333.428 3.779 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262688693 961808479 /nfs/dbraw/zinc/80/84/79/961808479.db2.gz BPWJGTZKMXWMHC-MGPQQGTHSA-N -1 0 329.396 3.809 20 0 EHADRM CC(C)c1ccc(CCCNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC000262690930 961808661 /nfs/dbraw/zinc/80/86/61/961808661.db2.gz DSWKPUFDIKTECM-IYARVYRRSA-N -1 0 331.456 3.750 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N[C@H]2CCCC[C@H]2Cc2ccccc2)CC1 ZINC000262724676 961829303 /nfs/dbraw/zinc/82/93/03/961829303.db2.gz RULFFACSNWFVJM-VJANTYMQSA-N -1 0 343.467 3.795 20 0 EHADRM CCSCc1ccc(C(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])cc1 ZINC000262726755 961831060 /nfs/dbraw/zinc/83/10/60/961831060.db2.gz GSNQMPCSSTZAPM-QAPCUYQASA-N -1 0 335.469 3.703 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C1 ZINC000262741429 961841855 /nfs/dbraw/zinc/84/18/55/961841855.db2.gz WOHOXVIEYHKTEE-LUKYLMHMSA-N -1 0 329.440 3.590 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CC/C=C/c1ccccc1)c1ccc(F)cc1 ZINC001574524419 961869332 /nfs/dbraw/zinc/86/93/32/961869332.db2.gz NHWLBMKQNDXALL-PYJQOMOHSA-N -1 0 327.355 3.561 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)CCCc2cccnc2)c1Cl ZINC001574524554 961869686 /nfs/dbraw/zinc/86/96/86/961869686.db2.gz PMWAMCGXULHIJH-UHFFFAOYSA-N -1 0 336.750 3.534 20 0 EHADRM COc1cccc([C@@H](C)CCCC(=O)N(C)C(C)(C)CC(=O)[O-])c1 ZINC001334996667 961873535 /nfs/dbraw/zinc/87/35/35/961873535.db2.gz KKJXCOCVNLNJIY-AWEZNQCLSA-N -1 0 335.444 3.681 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)N(C)C(C)(C)CC(=O)[O-])c1 ZINC001334996668 961874367 /nfs/dbraw/zinc/87/43/67/961874367.db2.gz KKJXCOCVNLNJIY-CQSZACIVSA-N -1 0 335.444 3.681 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cccc([C@@H]3CCOC3)c2)c1 ZINC000262821281 961888809 /nfs/dbraw/zinc/88/88/09/961888809.db2.gz AVUFEKQQCFVGQV-SUMWQHHRSA-N -1 0 339.391 3.631 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cc(-c3ccccn3)ccc2Cl)CCC1 ZINC000262840039 961904977 /nfs/dbraw/zinc/90/49/77/961904977.db2.gz ZMTPOBYCAWPDBA-UHFFFAOYSA-N -1 0 344.798 3.529 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N1CCC[C@]1(C)Cc1ccccc1)C(=O)[O-] ZINC001588850678 961926131 /nfs/dbraw/zinc/92/61/31/961926131.db2.gz YXWOJAGDODQKSQ-FXAWDEMLSA-N -1 0 346.471 3.540 20 0 EHADRM Cc1ccc2ccnc(N3C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C3)c2c1 ZINC001336269690 961958733 /nfs/dbraw/zinc/95/87/33/961958733.db2.gz IFKAACMZSQPZPC-OLZOCXBDSA-N -1 0 338.329 3.633 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1C ZINC001339717024 962068237 /nfs/dbraw/zinc/06/82/37/962068237.db2.gz YIGYLIMYXWTTLN-HOTGVXAUSA-N -1 0 332.444 3.651 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N[C@@H](C2CCC2)C2CCCC2)cc1 ZINC001574574483 962075176 /nfs/dbraw/zinc/07/51/76/962075176.db2.gz XMYIPZNJKPJNOE-QGZVFWFLSA-N -1 0 330.428 3.543 20 0 EHADRM COc1ccc2sc(C(=O)N3CC[C@@H](C)C[C@H]3C(=O)[O-])c(C)c2c1 ZINC000263006862 962105440 /nfs/dbraw/zinc/10/54/40/962105440.db2.gz MTYFSBKBBVXVMV-YGRLFVJLSA-N -1 0 347.436 3.544 20 0 EHADRM CC(C)CO[C@@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001588875809 962121230 /nfs/dbraw/zinc/12/12/30/962121230.db2.gz YBAMUIKAILRKGC-QWRGUYRKSA-N -1 0 339.457 3.571 20 0 EHADRM COc1cc(NC(=O)C(C)(C)c2ccccc2C)ccc1C(=O)[O-] ZINC000263020539 962127501 /nfs/dbraw/zinc/12/75/01/962127501.db2.gz TYYPFTUWFMKHLT-UHFFFAOYSA-N -1 0 327.380 3.618 20 0 EHADRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2F)c(C)n1CC1CC1 ZINC001341831515 962142370 /nfs/dbraw/zinc/14/23/70/962142370.db2.gz ASLMMRFIFCTWAQ-UHFFFAOYSA-N -1 0 330.359 3.605 20 0 EHADRM COc1cc(-c2ccccc2)sc1C(=O)NCCC(C)(C)C(=O)[O-] ZINC000263033107 962149756 /nfs/dbraw/zinc/14/97/56/962149756.db2.gz OSTAICQIWXJZPV-UHFFFAOYSA-N -1 0 347.436 3.654 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc3ccc(Cl)cc3n2)ccc1O ZINC001574599462 962151347 /nfs/dbraw/zinc/15/13/47/962151347.db2.gz GFVZZABHLZSRAP-UHFFFAOYSA-N -1 0 342.738 3.544 20 0 EHADRM CC1(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)CCCCCC1 ZINC000263037994 962158782 /nfs/dbraw/zinc/15/87/82/962158782.db2.gz ZJTYTRKTKSEPJG-DLBZAZTESA-N -1 0 329.440 3.674 20 0 EHADRM Cc1ccc(O[C@H](C)C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cc1 ZINC000263041091 962166898 /nfs/dbraw/zinc/16/68/98/962166898.db2.gz DAKVZOMZMHIDNN-ZIAGYGMSSA-N -1 0 327.380 3.589 20 0 EHADRM O=C([O-])CCCNC(=O)N[C@@H](CCc1ccccc1)c1ccccc1 ZINC000263041617 962166930 /nfs/dbraw/zinc/16/69/30/962166930.db2.gz QGJXVOJPQWUWAR-SFHVURJKSA-N -1 0 340.423 3.525 20 0 EHADRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])cs2)c2ccc(F)cc2n1 ZINC001343711981 962167889 /nfs/dbraw/zinc/16/78/89/962167889.db2.gz NCEZKNAPKOAADU-UHFFFAOYSA-N -1 0 330.340 3.694 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2cccc(COC(C)C)c2)c1 ZINC000263043908 962171211 /nfs/dbraw/zinc/17/12/11/962171211.db2.gz DESZEGKZSQXGJO-UHFFFAOYSA-N -1 0 327.380 3.871 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-] ZINC000263054198 962188399 /nfs/dbraw/zinc/18/83/99/962188399.db2.gz WSWYVJKULGKNKB-FVQBIDKESA-N -1 0 343.448 3.662 20 0 EHADRM CCC(CC)[C@@H](C)C(=O)N[C@](C)(CC(=O)[O-])c1cccc(OC)c1 ZINC000263062088 962202230 /nfs/dbraw/zinc/20/22/30/962202230.db2.gz BHOXMOCQMCQWBH-BFUOFWGJSA-N -1 0 335.444 3.574 20 0 EHADRM CC(C)C[C@H](CNC(=O)N[C@H]1CCC(C)(C)C[C@@H]1C)CC(=O)[O-] ZINC001588892756 962212112 /nfs/dbraw/zinc/21/21/12/962212112.db2.gz DMPCXZJKOGSYBA-KKUMJFAQSA-N -1 0 326.481 3.637 20 0 EHADRM Cn1c(C(=O)[O-])ccc1[C@@H]1CCCCN1C(=O)CC1CCCCC1 ZINC001344592156 962212517 /nfs/dbraw/zinc/21/25/17/962212517.db2.gz JYCTXWQNWUBXNU-INIZCTEOSA-N -1 0 332.444 3.747 20 0 EHADRM CC(C)C[C@H](CNC(=O)N[C@H](Cc1ccccc1)C(C)C)CC(=O)[O-] ZINC001588893048 962215733 /nfs/dbraw/zinc/21/57/33/962215733.db2.gz QWIGKRAIKCSOEH-ZWKOTPCHSA-N -1 0 348.487 3.690 20 0 EHADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)CC(c1ccccc1)c1ccccc1 ZINC000263079540 962222876 /nfs/dbraw/zinc/22/28/76/962222876.db2.gz PQWNIQJMBLADQM-MAUKXSAKSA-N -1 0 337.419 3.530 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000263099605 962250739 /nfs/dbraw/zinc/25/07/39/962250739.db2.gz ITNBBFPJOVLEOO-KRWDZBQOSA-N -1 0 327.380 3.536 20 0 EHADRM CCOc1ccc(Cl)c(NC(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC000263101192 962251601 /nfs/dbraw/zinc/25/16/01/962251601.db2.gz JYHAHNUFUWEHQU-UHFFFAOYSA-N -1 0 340.807 3.504 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)c1ccc(F)cc1 ZINC001574621602 962257574 /nfs/dbraw/zinc/25/75/74/962257574.db2.gz TWEYNWBMZFHOHX-ARFHVFGLSA-N -1 0 347.773 3.525 20 0 EHADRM Cc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)co1 ZINC000263108433 962260599 /nfs/dbraw/zinc/26/05/99/962260599.db2.gz JLWYDOFWSDWBGI-MRXNPFEDSA-N -1 0 329.396 3.831 20 0 EHADRM Cc1ccsc1C(=O)N[C@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC000263114023 962265452 /nfs/dbraw/zinc/26/54/52/962265452.db2.gz RWBBJFAWKYHSGX-GDBMZVCRSA-N -1 0 343.448 3.750 20 0 EHADRM C[C@@H](NC(=O)CCCC1CCCC1)c1ccc(OCC(=O)[O-])cc1 ZINC000263118905 962271869 /nfs/dbraw/zinc/27/18/69/962271869.db2.gz SCKUPLFDULHIKU-CQSZACIVSA-N -1 0 333.428 3.688 20 0 EHADRM CC[C@@H](C(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1)c1ccccc1 ZINC000263118519 962272149 /nfs/dbraw/zinc/27/21/49/962272149.db2.gz GNTSCAYRMIVZGJ-QYZOEREBSA-N -1 0 337.419 3.507 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)N2CCC[C@H](CC(=O)[O-])C2)c1 ZINC001588906242 962278121 /nfs/dbraw/zinc/27/81/21/962278121.db2.gz SRXRQJBWVYVZGO-DOTOQJQBSA-N -1 0 331.456 3.702 20 0 EHADRM O=C([O-])C1(C(=O)O[C@@H]2COc3cc(Cl)ccc32)CCCCCC1 ZINC001574639171 962330593 /nfs/dbraw/zinc/33/05/93/962330593.db2.gz XEIHMJVGAGCAIN-CQSZACIVSA-N -1 0 338.787 3.742 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)C(C)(C)c2ccccc2F)c1 ZINC000263179274 962335344 /nfs/dbraw/zinc/33/53/44/962335344.db2.gz HBHVLIBUPYDVMN-LBPRGKRZSA-N -1 0 329.371 3.930 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(C(=O)c2cccs2)CC1 ZINC000263185611 962340417 /nfs/dbraw/zinc/34/04/17/962340417.db2.gz ZYFUOMWGZKPPHW-UHFFFAOYSA-N -1 0 329.421 3.541 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NC2(c3cccc(Cl)c3)CCCC2)C1 ZINC000263193596 962350178 /nfs/dbraw/zinc/35/01/78/962350178.db2.gz IXMKPAKSEUQBHA-QWHCGFSZSA-N -1 0 335.831 3.726 20 0 EHADRM Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)sc1-c1ccc(F)cc1 ZINC000263234324 962382723 /nfs/dbraw/zinc/38/27/23/962382723.db2.gz SLASRTGEBIAEOT-RISCZKNCSA-N -1 0 347.411 3.798 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000263245659 962390042 /nfs/dbraw/zinc/39/00/42/962390042.db2.gz SEHPRJPMBNTCHT-KRWDZBQOSA-N -1 0 345.370 3.557 20 0 EHADRM CC(C)[C@H](NC(=O)NCCCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000263256934 962399121 /nfs/dbraw/zinc/39/91/21/962399121.db2.gz PTFUTNMWUVJTBO-AWEZNQCLSA-N -1 0 346.349 3.567 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)N2CCC(C3CCC3)CC2)c2ccccc21 ZINC001574649167 962412257 /nfs/dbraw/zinc/41/22/57/962412257.db2.gz ITYUHJZWZFXSEJ-ROUUACIJSA-N -1 0 342.439 3.521 20 0 EHADRM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCCC(=O)[O-] ZINC000263281861 962420089 /nfs/dbraw/zinc/42/00/89/962420089.db2.gz JUVRAXGAGZULRJ-UHFFFAOYSA-N -1 0 332.227 3.987 20 0 EHADRM CC[C@H](CC(=O)NCc1ccc(C(=O)[O-])s1)c1ccc(OC)cc1 ZINC000263285613 962425345 /nfs/dbraw/zinc/42/53/45/962425345.db2.gz XZWJZDMPGSLXEJ-GFCCVEGCSA-N -1 0 347.436 3.655 20 0 EHADRM O=C([O-])CCCCC(=O)NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC000263290554 962429843 /nfs/dbraw/zinc/42/98/43/962429843.db2.gz LJUTVLIGFWWYDP-LJQANCHMSA-N -1 0 339.435 3.774 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)C[C@H]2OCCc3ccccc32)c1 ZINC000263324360 962467299 /nfs/dbraw/zinc/46/72/99/962467299.db2.gz OGCKAJJNVSHFGO-SCLBCKFNSA-N -1 0 339.391 3.517 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@@H](C)Cc2ccccc2F)cc1 ZINC000263324377 962467698 /nfs/dbraw/zinc/46/76/98/962467698.db2.gz OGSBZWFSRDQBKP-QWHCGFSZSA-N -1 0 329.371 3.831 20 0 EHADRM COc1ccc(CCCC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)cc1 ZINC000263343324 962495578 /nfs/dbraw/zinc/49/55/78/962495578.db2.gz SOLOHCTXWGXVNE-AWEZNQCLSA-N -1 0 341.407 3.845 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000263346075 962499707 /nfs/dbraw/zinc/49/97/07/962499707.db2.gz UAKILOKQZOUVCS-NILFDRSVSA-N -1 0 329.421 3.987 20 0 EHADRM CC(C)OCc1ccc(NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC001588935703 962500345 /nfs/dbraw/zinc/50/03/45/962500345.db2.gz XZVRXXPBEMVDNH-HNNXBMFYSA-N -1 0 348.443 3.720 20 0 EHADRM C[C@@H](CCOc1ccccc1)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000263351480 962503943 /nfs/dbraw/zinc/50/39/43/962503943.db2.gz VRGRCVQOTRNSQI-GJZGRUSLSA-N -1 0 341.407 3.918 20 0 EHADRM Cc1nc(C(=O)N(Cc2ccccc2)[C@H](C)C2CC2)ccc1C(=O)[O-] ZINC000263332130 1125483024 /nfs/dbraw/zinc/48/30/24/1125483024.db2.gz MIQSPSOZJDOFKX-CQSZACIVSA-N -1 0 338.407 3.529 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@]2(C(=O)[O-])CC2(C)C)c(Cl)c1 ZINC001588938015 962512010 /nfs/dbraw/zinc/51/20/10/962512010.db2.gz FAXBBOSDEGMUHY-INIZCTEOSA-N -1 0 325.792 3.567 20 0 EHADRM O=C([O-])c1ccc(CC(=O)Nc2ccc3[nH]c(C4CCC4)nc3c2)cc1 ZINC000263371704 962529901 /nfs/dbraw/zinc/52/99/01/962529901.db2.gz YLXALGNWTUCVAM-UHFFFAOYSA-N -1 0 349.390 3.710 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)Nc2ccc(OC3CCC3)c(F)c2)co1 ZINC001574668184 962531888 /nfs/dbraw/zinc/53/18/88/962531888.db2.gz WWBWPDIDBFAYGJ-ALCCZGGFSA-N -1 0 345.326 3.700 20 0 EHADRM O=C([O-])c1ccc(CC(=O)Nc2cccc(OC3CCCC3)c2)cc1 ZINC000263374135 962532014 /nfs/dbraw/zinc/53/20/14/962532014.db2.gz ZUDWVGZOXQKDSB-UHFFFAOYSA-N -1 0 339.391 3.887 20 0 EHADRM COC[C@H](C)Oc1ccc(Cl)cc1NC1CCC(C(=O)[O-])CC1 ZINC000263413672 962580693 /nfs/dbraw/zinc/58/06/93/962580693.db2.gz MIJPKVUXUYAZCR-DCBWTQNWSA-N -1 0 341.835 3.809 20 0 EHADRM O=C([O-])CCCNC(=O)N[C@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000263412649 962581541 /nfs/dbraw/zinc/58/15/41/962581541.db2.gz VFVQUDFGYKVNIM-SFHVURJKSA-N -1 0 338.407 3.505 20 0 EHADRM CC(C)(C)c1cnc(CCC(=O)Nc2cccc(CCC(=O)[O-])c2)o1 ZINC000263419188 962590241 /nfs/dbraw/zinc/59/02/41/962590241.db2.gz KTPJZDJWTFZGJT-UHFFFAOYSA-N -1 0 344.411 3.561 20 0 EHADRM CC(C)c1cc(C(=O)N(CC(=O)[O-])CC2CC2)c(O)c(C(C)C)c1 ZINC001588963932 962642434 /nfs/dbraw/zinc/64/24/34/962642434.db2.gz OUWLSWJBUNIBFF-UHFFFAOYSA-N -1 0 333.428 3.576 20 0 EHADRM CC(C)c1ccc([C@H](NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C)C)cc1 ZINC001588966824 962650138 /nfs/dbraw/zinc/65/01/38/962650138.db2.gz MGFNVEOPMWNPLK-IXDOHACOSA-N -1 0 332.444 3.670 20 0 EHADRM O=C([O-])C1CCC(NC(=O)N2CCCC[C@H]2c2ccccc2)CC1 ZINC000263488114 962673276 /nfs/dbraw/zinc/67/32/76/962673276.db2.gz QEVZZAZXYDPKKP-JCYILVPMSA-N -1 0 330.428 3.567 20 0 EHADRM C[C@H](NCc1ccc(/C=C\C(=O)[O-])o1)c1nc(C(C)(C)C)cs1 ZINC001353921643 962678363 /nfs/dbraw/zinc/67/83/63/962678363.db2.gz JUKOMFSJIITHPD-TVRMLOFPSA-N -1 0 334.441 3.982 20 0 EHADRM Cc1coc(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)c1C ZINC001354040273 962693690 /nfs/dbraw/zinc/69/36/90/962693690.db2.gz ABYWADCMYGLEIK-UHFFFAOYSA-N -1 0 333.409 3.857 20 0 EHADRM Cc1oc(-c2ccccc2)c(C(=O)N2CC[C@](C)(C(=O)[O-])C2)c1C ZINC000263553206 962726434 /nfs/dbraw/zinc/72/64/34/962726434.db2.gz XMGDENPDLSYCGQ-IBGZPJMESA-N -1 0 327.380 3.500 20 0 EHADRM O=C([O-])CN(CC1CC1)c1nc2ccccc2c(-c2ccccc2)n1 ZINC001574716549 962728001 /nfs/dbraw/zinc/72/80/01/962728001.db2.gz UYFIIBDFYGANRF-UHFFFAOYSA-N -1 0 333.391 3.598 20 0 EHADRM C[C@]1(Cc2ccccc2)CCCN1C(=O)Cc1ccccc1C(=O)[O-] ZINC000263562448 962731217 /nfs/dbraw/zinc/73/12/17/962731217.db2.gz CUWLUOARUXOTJA-OAQYLSRUSA-N -1 0 337.419 3.551 20 0 EHADRM C[C@@]1(Cc2ccccc2)CCCN1C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000263568435 962735490 /nfs/dbraw/zinc/73/54/90/962735490.db2.gz GZKXFZFRGAKQCY-ZWOKBUDYSA-N -1 0 329.440 3.501 20 0 EHADRM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC000263581791 962748205 /nfs/dbraw/zinc/74/82/05/962748205.db2.gz XQIBBHXNCVVCCB-VJANTYMQSA-N -1 0 343.467 3.981 20 0 EHADRM C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2O)cc1 ZINC000153417933 1125484335 /nfs/dbraw/zinc/48/43/35/1125484335.db2.gz CUBAAPGITNTIAC-QMTHXVAHSA-N -1 0 344.798 3.892 20 0 EHADRM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2O)cc1 ZINC000153417741 1125484522 /nfs/dbraw/zinc/48/45/22/1125484522.db2.gz CUBAAPGITNTIAC-YGRLFVJLSA-N -1 0 344.798 3.892 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C12CCC(CC1)C2(C)C ZINC001526721717 962881647 /nfs/dbraw/zinc/88/16/47/962881647.db2.gz OZOVNSHZPJUDFJ-UHFFFAOYSA-N -1 0 331.412 3.613 20 0 EHADRM C[C@@H](CC1CCCC1)C(=O)N1CCCC[C@H]1c1ccc(C(=O)[O-])n1C ZINC001526767206 962909676 /nfs/dbraw/zinc/90/96/76/962909676.db2.gz XOFMSFZKIMFXEP-YOEHRIQHSA-N -1 0 346.471 3.993 20 0 EHADRM COc1cc(NC(=O)N2CC[C@@H](CC(C)(C)C)C2)ccc1C(=O)[O-] ZINC000307834787 963231469 /nfs/dbraw/zinc/23/14/69/963231469.db2.gz SSLZPDWUBLCWDQ-LBPRGKRZSA-N -1 0 334.416 3.683 20 0 EHADRM Cc1sc(NC(=O)COc2cccc(Cl)c2)c(C(=O)[O-])c1C ZINC000314223668 963726879 /nfs/dbraw/zinc/72/68/79/963726879.db2.gz BVPCMVGBFPLNBD-UHFFFAOYSA-N -1 0 339.800 3.734 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)/C=C/c1ccc(Cl)s1 ZINC000314474362 963757578 /nfs/dbraw/zinc/75/75/78/963757578.db2.gz KXHSIHKIUUKMDF-ZZXKWVIFSA-N -1 0 333.796 3.702 20 0 EHADRM O=C([O-])c1c(NC(=O)[C@@H]2CCC(F)(F)C2)sc2c1CCCC2 ZINC000316118930 963978587 /nfs/dbraw/zinc/97/85/87/963978587.db2.gz UCUXZVSNQYBBKV-MRVPVSSYSA-N -1 0 329.368 3.699 20 0 EHADRM Cc1cc(C(=O)[O-])c(NC(=O)c2cc(F)c(F)c(F)c2F)s1 ZINC000316244003 963993359 /nfs/dbraw/zinc/99/33/59/963993359.db2.gz GUHRRXLOPCKDPY-UHFFFAOYSA-N -1 0 333.262 3.563 20 0 EHADRM Cc1ccc(NC(=O)c2cc(F)c(Cl)cc2F)cc1C(=O)[O-] ZINC000316890066 964067303 /nfs/dbraw/zinc/06/73/03/964067303.db2.gz IWZQLSWDEPRWMC-UHFFFAOYSA-N -1 0 325.698 3.877 20 0 EHADRM O=C([O-])[C@]1(C(F)(F)F)CC[N@@H+]([C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000316936246 964076130 /nfs/dbraw/zinc/07/61/30/964076130.db2.gz GFTQKKGSFLYABF-OCCSQVGLSA-N -1 0 333.737 3.666 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000237192387 967783126 /nfs/dbraw/zinc/78/31/26/967783126.db2.gz OKEOPQGSLDGNIK-NVXWUHKLSA-N -1 0 347.455 3.510 20 0 EHADRM Cc1c(C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)sc2cccc(F)c12 ZINC000261618923 967805942 /nfs/dbraw/zinc/80/59/42/967805942.db2.gz BYCWBDXSECIHKM-MWLCHTKSSA-N -1 0 335.400 3.532 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000262566415 967823533 /nfs/dbraw/zinc/82/35/33/967823533.db2.gz BKGYSRZQHIUWKY-DTWKUNHWSA-N -1 0 330.211 3.561 20 0 EHADRM C[C@@H]1CN(C(=O)C2(c3ccc(F)cc3)CCCCC2)CC[C@@H]1C(=O)[O-] ZINC000262819900 967828148 /nfs/dbraw/zinc/82/81/48/967828148.db2.gz BODLOKNNPMYSLG-PBHICJAKSA-N -1 0 347.430 3.597 20 0 EHADRM Cc1c(C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)sc2cccc(F)c12 ZINC000263346321 967876227 /nfs/dbraw/zinc/87/62/27/967876227.db2.gz ORSSNFWEJYHKQC-MWLCHTKSSA-N -1 0 335.400 3.532 20 0 EHADRM COc1cc(Oc2ccccc2)ccc1NC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC000263574786 967901606 /nfs/dbraw/zinc/90/16/06/967901606.db2.gz NYTWKCTURHDNAS-HUUCEWRRSA-N -1 0 341.363 3.537 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)CSc2ccc(Cl)cc2)C1 ZINC000387803948 968148536 /nfs/dbraw/zinc/14/85/36/968148536.db2.gz PDESMPZMALMJGS-MRXNPFEDSA-N -1 0 341.860 3.536 20 0 EHADRM CC(C)c1ccc(C[C@H](C)NC(=O)NCCCCCC(=O)[O-])cc1 ZINC000414646885 968342238 /nfs/dbraw/zinc/34/22/38/968342238.db2.gz SEWCGJPZVHHCFW-HNNXBMFYSA-N -1 0 334.460 3.685 20 0 EHADRM Cc1ccc([C@H]2CCCCCN2C(=O)NCCC(C)(C)C(=O)[O-])o1 ZINC000424410807 968364655 /nfs/dbraw/zinc/36/46/55/968364655.db2.gz ZXPKVTNVPYFIAY-CQSZACIVSA-N -1 0 336.432 3.716 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2cc(F)cc3cccnc32)c1 ZINC000431993380 968373380 /nfs/dbraw/zinc/37/33/80/968373380.db2.gz IBPXIVQRRBLRRV-UHFFFAOYSA-N -1 0 338.338 3.643 20 0 EHADRM CC[C@H](NC(=O)N1CCC[C@H](CC(=O)[O-])C1)c1cc(C)ccc1C ZINC000529224545 968394900 /nfs/dbraw/zinc/39/49/00/968394900.db2.gz DZRADZOBIIQDRK-WBVHZDCISA-N -1 0 332.444 3.651 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000532874736 968400806 /nfs/dbraw/zinc/40/08/06/968400806.db2.gz TVBJSSSQRBOIQX-RDJZCZTQSA-N -1 0 347.455 3.681 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)C3(CC(=O)[O-])CCC3)cc2)cs1 ZINC000573807292 968453463 /nfs/dbraw/zinc/45/34/63/968453463.db2.gz XNMZVDOPMWCRGS-UHFFFAOYSA-N -1 0 330.409 3.702 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)Cc2coc3cc(Cl)ccc23)C1 ZINC000630160585 968529734 /nfs/dbraw/zinc/52/97/34/968529734.db2.gz UCYYHSNXRSLERB-GFCCVEGCSA-N -1 0 349.814 3.732 20 0 EHADRM CC(C)[C@H](CNC(=O)CC(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000655570838 968682173 /nfs/dbraw/zinc/68/21/73/968682173.db2.gz ASSWIJHHXCCXIW-IBGZPJMESA-N -1 0 339.435 3.682 20 0 EHADRM Cc1ccc(-c2ncc(C(=O)N(CC(=O)[O-])C3CCC3)s2)c(C)c1 ZINC000655590962 968689477 /nfs/dbraw/zinc/68/94/77/968689477.db2.gz COTURUTYXBIEJY-UHFFFAOYSA-N -1 0 344.436 3.506 20 0 EHADRM CC(C)[C@H](CNC(=O)N1C[C@H](C)CC[C@H]1c1ccccc1)C(=O)[O-] ZINC000655897024 968708596 /nfs/dbraw/zinc/70/85/96/968708596.db2.gz QJBWSANGBLHTDK-PVAVHDDUSA-N -1 0 332.444 3.526 20 0 EHADRM CSCCCCCCC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000864118551 969317786 /nfs/dbraw/zinc/31/77/86/969317786.db2.gz YUVNHSDNXWYOSL-QGZVFWFLSA-N -1 0 335.469 3.511 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1csc(C(F)(F)F)c1 ZINC000864132034 969320534 /nfs/dbraw/zinc/32/05/34/969320534.db2.gz IHYOYXIGKBYWMY-SNVBAGLBSA-N -1 0 335.347 3.626 20 0 EHADRM C[C@@H](NC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000902027475 969509404 /nfs/dbraw/zinc/50/94/04/969509404.db2.gz ABDYGGZSYVAFBT-NAWOPXAZSA-N -1 0 349.393 3.607 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)N[C@H]1CCSc2ccccc21 ZINC001340464808 969743186 /nfs/dbraw/zinc/74/31/86/969743186.db2.gz VXSPBRJQWVVBPT-ZFWWWQNUSA-N -1 0 348.468 3.652 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)[C@H](C)c2ccc(Cl)s2)C1 ZINC001341238727 969747458 /nfs/dbraw/zinc/74/74/58/969747458.db2.gz LSFYXWLLBUITEC-MEBBXXQBSA-N -1 0 329.849 3.608 20 0 EHADRM CC(C)C[C@H](CNC(=O)/C=C/c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000317247461 970341575 /nfs/dbraw/zinc/34/15/75/970341575.db2.gz PFWOGAQGWIWTEN-AAOUONPWSA-N -1 0 344.238 3.870 20 0 EHADRM O=C(CSCc1cccs1)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC000319456698 970536632 /nfs/dbraw/zinc/53/66/32/970536632.db2.gz ATMCLUSKTAFVIR-CQSZACIVSA-N -1 0 341.498 3.521 20 0 EHADRM C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC001609847152 970550844 /nfs/dbraw/zinc/55/08/44/970550844.db2.gz SUKMXVRBSZLMQO-BZNIZROVSA-N -1 0 343.358 3.534 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc(Cl)ncc2Cl)c(F)cc1F ZINC000319692857 970561180 /nfs/dbraw/zinc/56/11/80/970561180.db2.gz SLRCXDQJERBZSN-UHFFFAOYSA-N -1 0 347.104 3.617 20 0 EHADRM O=C([O-])c1ccc(Sc2ccc([N+](=O)[O-])c3cnccc23)cc1 ZINC000319806405 970574547 /nfs/dbraw/zinc/57/45/47/970574547.db2.gz KAFFQJKRNDBCCY-UHFFFAOYSA-N -1 0 326.333 3.992 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)Nc3ccc(F)c(C(=O)[O-])c3)cc2C1 ZINC000319882411 970584455 /nfs/dbraw/zinc/58/44/55/970584455.db2.gz XFAZBNYISBJXLN-SECBINFHSA-N -1 0 333.384 3.963 20 0 EHADRM C[C@H]1CCCC[C@@H]1CNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000320516535 970672467 /nfs/dbraw/zinc/67/24/67/970672467.db2.gz LMYICNWELMNKHK-VHSXEESVSA-N -1 0 326.343 3.611 20 0 EHADRM O=C([O-])c1ccc(SCc2nc3ccc(Cl)cc3c(=O)[nH]2)cc1 ZINC000320666043 970694857 /nfs/dbraw/zinc/69/48/57/970694857.db2.gz MKLJPJKGTVIJBS-UHFFFAOYSA-N -1 0 346.795 3.979 20 0 EHADRM Cc1ccc(NC(=O)CSCc2ccc(F)cc2)c(C(=O)[O-])c1 ZINC000320672428 970696283 /nfs/dbraw/zinc/69/62/83/970696283.db2.gz NJNMAGIIAIXHSL-UHFFFAOYSA-N -1 0 333.384 3.704 20 0 EHADRM O=C([O-])[C@@]1(C(F)(F)F)CCN(c2nc(-c3ccccc3)cs2)C1 ZINC000320686481 970699870 /nfs/dbraw/zinc/69/98/70/970699870.db2.gz VSHAAFMASGIEIN-CQSZACIVSA-N -1 0 342.342 3.654 20 0 EHADRM CSc1ccc(CCC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001604964743 972552077 /nfs/dbraw/zinc/55/20/77/972552077.db2.gz CSFRQNAGSSPRKY-HNNXBMFYSA-N -1 0 337.485 3.737 20 0 EHADRM CCc1ccc(NC(=O)c2cc(OC)c(C)c(OC)c2)c(C(=O)[O-])c1 ZINC000392984951 972552348 /nfs/dbraw/zinc/55/23/48/972552348.db2.gz GOVHEZFQYJXNFN-UHFFFAOYSA-N -1 0 343.379 3.525 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NCc1cc2ccccc2s1 ZINC001603312004 972608437 /nfs/dbraw/zinc/60/84/37/972608437.db2.gz IBIKCURSYANIAA-UHFFFAOYSA-N -1 0 331.437 3.655 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NCc1ccc(C2CCC2)cc1 ZINC001603311975 972608525 /nfs/dbraw/zinc/60/85/25/972608525.db2.gz HMIJTLOUNWGLCX-UHFFFAOYSA-N -1 0 329.440 3.707 20 0 EHADRM CN(Cc1ccc(Cl)c(F)c1)C(=O)C1(C(=O)[O-])C(C)(C)C1(C)C ZINC001604187049 972611395 /nfs/dbraw/zinc/61/13/95/972611395.db2.gz BPFAVYJEQPWVBF-UHFFFAOYSA-N -1 0 341.810 3.575 20 0 EHADRM CC1(C)CC(CNC(=O)c2cccc(OCC(=O)[O-])c2)CC(C)(C)C1 ZINC001603315953 972627995 /nfs/dbraw/zinc/62/79/95/972627995.db2.gz MVSNFEUHMITQBI-UHFFFAOYSA-N -1 0 347.455 3.732 20 0 EHADRM Cc1cc(-c2csc(NC(=O)[C@@H](C(=O)[O-])C(C)C)n2)ccc1F ZINC001605091265 972735776 /nfs/dbraw/zinc/73/57/76/972735776.db2.gz ACZXUMZCGTYHLS-ZDUSSCGKSA-N -1 0 336.388 3.553 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1cc(-c2ccccc2)ns1)C1CCCC1 ZINC001605901431 972736244 /nfs/dbraw/zinc/73/62/44/972736244.db2.gz PLABZUZCIAPDPF-HNNXBMFYSA-N -1 0 330.409 3.640 20 0 EHADRM Cc1cc(-c2ncco2)ccc1NC(=O)C1(C(=O)[O-])CCCCC1 ZINC001605093127 972747711 /nfs/dbraw/zinc/74/77/11/972747711.db2.gz WTIKEMQGPJCOLE-UHFFFAOYSA-N -1 0 328.368 3.624 20 0 EHADRM Cc1cc([C@@H](NC(=O)[C@@H](C)C(=O)[O-])c2ccccc2Cl)ccc1F ZINC001605145354 972822528 /nfs/dbraw/zinc/82/25/28/972822528.db2.gz AJKCHAASIXGYKA-BDJLRTHQSA-N -1 0 349.789 3.714 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Cl)cc1 ZINC000396366845 972867378 /nfs/dbraw/zinc/86/73/78/972867378.db2.gz ADOCDFCBHMYIEX-SECBINFHSA-N -1 0 348.742 3.689 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)s1 ZINC000396426239 972880563 /nfs/dbraw/zinc/88/05/63/972880563.db2.gz GSXMNAAJIGKBHH-WCQYABFASA-N -1 0 346.452 3.997 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cc(Cl)ncc2Cl)cc1 ZINC000396436830 972886375 /nfs/dbraw/zinc/88/63/75/972886375.db2.gz LRAPRAJMGNZLBW-MRVPVSSYSA-N -1 0 339.178 3.829 20 0 EHADRM CC(C)C[C@@H]1CCCN1C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000396757634 972935794 /nfs/dbraw/zinc/93/57/94/972935794.db2.gz FKTJYWNQNRZGAS-NSHDSACASA-N -1 0 326.343 3.705 20 0 EHADRM Cc1cc(NC(=O)Nc2cc(-c3ccccc3)[nH]n2)ccc1C(=O)[O-] ZINC001605207317 972949372 /nfs/dbraw/zinc/94/93/72/972949372.db2.gz OISASXNZNQCDAH-UHFFFAOYSA-N -1 0 336.351 3.727 20 0 EHADRM Cc1cc(NC(=O)Nc2ccnn2[C@@H](C)C2CC2)ccc1C(=O)[O-] ZINC001605207304 972949766 /nfs/dbraw/zinc/94/97/66/972949766.db2.gz NFMSTIHVJKAQQW-NSHDSACASA-N -1 0 328.372 3.505 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1cc(-c2ccccc2)ns1 ZINC001603381645 972964679 /nfs/dbraw/zinc/96/46/79/972964679.db2.gz TVVHSHJDQXVPBX-AAEUAGOBSA-N -1 0 345.424 3.527 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001605224695 972976868 /nfs/dbraw/zinc/97/68/68/972976868.db2.gz VOCCBQYIZXNFEX-ZBFHGGJFSA-N -1 0 333.428 3.609 20 0 EHADRM Cc1cc2nc(NC(=O)C3(C(=O)[O-])CCCCC3)sc2cc1F ZINC001605232998 972988074 /nfs/dbraw/zinc/98/80/74/972988074.db2.gz LKRLNAQGVSOVJN-UHFFFAOYSA-N -1 0 336.388 3.717 20 0 EHADRM Cc1ccc(-c2ncccc2NC(=O)N([C@@H](C)C(=O)[O-])C2CC2)s1 ZINC001605238072 972995560 /nfs/dbraw/zinc/99/55/60/972995560.db2.gz YKKXWFGUVJXNIJ-NSHDSACASA-N -1 0 345.424 3.588 20 0 EHADRM C[C@H]1CCCC[C@@H]1CC(=O)Nc1sc2c(c1C(=O)[O-])COCC2 ZINC001603399497 973046817 /nfs/dbraw/zinc/04/68/17/973046817.db2.gz IYRHJQMXDAWBJO-WDEREUQCSA-N -1 0 337.441 3.674 20 0 EHADRM C[C@@H]1CCCCN1C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001603405600 973063481 /nfs/dbraw/zinc/06/34/81/973063481.db2.gz VNIDUFUWXBXQFK-CQSZACIVSA-N -1 0 330.428 3.559 20 0 EHADRM Cc1cccc(C2=CCN(C(=O)c3coc(/C=C\C(=O)[O-])c3)CC2)c1 ZINC001605335703 973220871 /nfs/dbraw/zinc/22/08/71/973220871.db2.gz XHFMUJDEPGFAJR-WAYWQWQTSA-N -1 0 337.375 3.615 20 0 EHADRM Cc1cccc(Cl)c1CC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001605339344 973224383 /nfs/dbraw/zinc/22/43/83/973224383.db2.gz GJNLMKJPORISQK-DOTOQJQBSA-N -1 0 343.810 3.620 20 0 EHADRM O=C([O-])CC1(NC(=O)c2nc(-c3ccccc3)cs2)CCCCC1 ZINC001606083525 973242751 /nfs/dbraw/zinc/24/27/51/973242751.db2.gz LQXRMXKYINJODJ-UHFFFAOYSA-N -1 0 344.436 3.718 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)c1sc2cccc(F)c2c1C)C(=O)[O-] ZINC000400707457 973309710 /nfs/dbraw/zinc/30/97/10/973309710.db2.gz GXQHAMGCTIFELT-JOYOIKCWSA-N -1 0 337.416 3.968 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)c1cc(Cl)nc(C(C)(C)C)c1)C(=O)[O-] ZINC000400755959 973312958 /nfs/dbraw/zinc/31/29/58/973312958.db2.gz XNMUHXPXJKPLPT-PWSUYJOCSA-N -1 0 340.851 3.652 20 0 EHADRM C[C@H]1CO[C@@H](C(=O)Nc2scc(-c3ccsc3)c2C(=O)[O-])C1 ZINC001603473484 973351239 /nfs/dbraw/zinc/35/12/39/973351239.db2.gz MYXLQFCPEJSQQC-LDYMZIIASA-N -1 0 337.422 3.538 20 0 EHADRM C[C@H]1CSc2ccccc2N1C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001603476480 973370858 /nfs/dbraw/zinc/37/08/58/973370858.db2.gz WWJCYHDSEIDTSJ-ZADCQDASSA-N -1 0 329.377 3.518 20 0 EHADRM Cc1nc(C2CCCCC2)sc1C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001605403338 973396528 /nfs/dbraw/zinc/39/65/28/973396528.db2.gz XAJJUBKBOOAIEY-ZDUSSCGKSA-N -1 0 338.473 3.728 20 0 EHADRM C[C@@H]1COCC[C@H]1C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000192845084 1026397714 /nfs/dbraw/zinc/39/77/14/1026397714.db2.gz LZAXHAMBVWMKMY-RNFRBKRXSA-N -1 0 338.618 3.964 20 0 EHADRM Cc1sc(C2(N[C@H](C)C(=O)[O-])CCC2)nc1-c1ccccc1F ZINC001605460994 973556522 /nfs/dbraw/zinc/55/65/22/973556522.db2.gz JACUWNAJXURFSP-SNVBAGLBSA-N -1 0 334.416 3.700 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1cccc(C)c1Br ZINC001603526769 973569230 /nfs/dbraw/zinc/56/92/30/973569230.db2.gz CHXCOEPDQRFFOY-UHFFFAOYSA-N -1 0 328.206 3.587 20 0 EHADRM Cn1cc(-c2csc(NC(=O)[C@H]3CCCC3(C)C)c2C(=O)[O-])cn1 ZINC001605477436 973595501 /nfs/dbraw/zinc/59/55/01/973595501.db2.gz VYRGOGYCQDESQC-GFCCVEGCSA-N -1 0 347.440 3.612 20 0 EHADRM CC[C@@H](CNC(=O)N[C@@H]1CCCc2ccc(C(C)C)cc21)C(=O)[O-] ZINC001603565754 973686620 /nfs/dbraw/zinc/68/66/20/973686620.db2.gz JKSSNBYWWTWNRO-SUMWQHHRSA-N -1 0 332.444 3.597 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N1CC2(CCC2)[C@H]1c1ccco1 ZINC001606318127 973732808 /nfs/dbraw/zinc/73/28/08/973732808.db2.gz JCKFZGUGUQZOHL-QGZVFWFLSA-N -1 0 340.379 3.666 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1ccc(Oc2ccccc2)cc1)CC1CC1 ZINC000405298368 973820055 /nfs/dbraw/zinc/82/00/55/973820055.db2.gz HEJXQSIHBAFPIC-INIZCTEOSA-N -1 0 339.391 3.710 20 0 EHADRM CC[C@H](c1nnc(NC([O-])=NOCC(C)C)s1)c1ccccc1 ZINC000160145838 1014143489 /nfs/dbraw/zinc/14/34/89/1014143489.db2.gz GQWOFHSUNKIYBP-ZDUSSCGKSA-N -1 0 334.445 3.789 20 0 EHADRM CC[C@H]1CCc2c(sc(NC(=O)c3conc3C)c2C(=O)[O-])C1 ZINC001603624971 973933309 /nfs/dbraw/zinc/93/33/09/973933309.db2.gz ROAYZNVXLUVDSG-VIFPVBQESA-N -1 0 334.397 3.510 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)NCCCCCC(=O)[O-])c2ccccc21 ZINC000414606168 973941608 /nfs/dbraw/zinc/94/16/08/973941608.db2.gz DKBFEFALMWYDAV-MRXNPFEDSA-N -1 0 332.444 3.743 20 0 EHADRM C[C@H](NC(=O)NCCCCCC(=O)[O-])c1cc(Cl)ccc1Cl ZINC000414614326 973942069 /nfs/dbraw/zinc/94/20/69/973942069.db2.gz OINJCAPPKMHKFI-JTQLQIEISA-N -1 0 347.242 3.999 20 0 EHADRM Cc1cc(C)cc([C@@H](NCc2ncc(C(C)(C)C)s2)C(=O)[O-])c1 ZINC000417571737 973961812 /nfs/dbraw/zinc/96/18/12/973961812.db2.gz XYZLRQYVRJYJIJ-MRXNPFEDSA-N -1 0 332.469 3.973 20 0 EHADRM COc1c(Cl)cc(NC(=O)NCCC(C)(C)C(=O)[O-])cc1Cl ZINC000424382210 974023635 /nfs/dbraw/zinc/02/36/35/974023635.db2.gz NSZIBNPYCPBZOR-UHFFFAOYSA-N -1 0 349.214 3.624 20 0 EHADRM CCC(CC)(CNC(=O)N[C@@H](C)c1cc2ccccc2o1)C(=O)[O-] ZINC000424385441 974023988 /nfs/dbraw/zinc/02/39/88/974023988.db2.gz GEDJUXOIJWLGJD-LBPRGKRZSA-N -1 0 332.400 3.684 20 0 EHADRM CCC(CC)(CNC(=O)Nc1sc(C)nc1CC(C)C)C(=O)[O-] ZINC000424387288 974024479 /nfs/dbraw/zinc/02/44/79/974024479.db2.gz WYSIJJQVHNYGIE-UHFFFAOYSA-N -1 0 341.477 3.663 20 0 EHADRM CCC(CC)(CNC(=O)Nc1c(C)cc(OC)c(C)c1C)C(=O)[O-] ZINC000424385940 974024508 /nfs/dbraw/zinc/02/45/08/974024508.db2.gz GYIGQDJKCDEMKA-UHFFFAOYSA-N -1 0 336.432 3.633 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cccc(C(C)(F)F)c1)C(=O)[O-] ZINC000424391579 974026118 /nfs/dbraw/zinc/02/61/18/974026118.db2.gz QRYIGVQTZAZYAP-UHFFFAOYSA-N -1 0 328.359 3.811 20 0 EHADRM C[C@H](NC(=O)NCCC(C)(C)C(=O)[O-])c1cccc(Cl)c1Cl ZINC000424404206 974029114 /nfs/dbraw/zinc/02/91/14/974029114.db2.gz GGPKYSRLCYWIMM-VIFPVBQESA-N -1 0 347.242 3.855 20 0 EHADRM Cc1cc(C)cc(C2=CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC2)c1 ZINC000424405347 974029194 /nfs/dbraw/zinc/02/91/94/974029194.db2.gz OFGDWXXKBQYVID-UHFFFAOYSA-N -1 0 344.455 3.603 20 0 EHADRM Cc1cc(C)cc([C@@H](NCc2ccc(Br)o2)C(=O)[O-])c1 ZINC000426757983 974045623 /nfs/dbraw/zinc/04/56/23/974045623.db2.gz GFFVYGVMIUFIQD-CQSZACIVSA-N -1 0 338.201 3.574 20 0 EHADRM O=C([O-])[C@@H](NCc1cc(F)ccc1Br)c1cccs1 ZINC000426811192 974049143 /nfs/dbraw/zinc/04/91/43/974049143.db2.gz LPAQDKQADWRCCC-LBPRGKRZSA-N -1 0 344.205 3.565 20 0 EHADRM O=C([O-])CC1(CC(=O)NCc2ccc(C3CC3)cc2F)CCCC1 ZINC000427439104 974052808 /nfs/dbraw/zinc/05/28/08/974052808.db2.gz NDNPYFUJXYEZJR-UHFFFAOYSA-N -1 0 333.403 3.745 20 0 EHADRM CCc1ccc([C@H](C)C(=O)Nc2cc(COC)cc(C(=O)[O-])c2)cc1 ZINC000427664758 974052878 /nfs/dbraw/zinc/05/28/78/974052878.db2.gz KBQZBCVAPBCIAV-ZDUSSCGKSA-N -1 0 341.407 3.836 20 0 EHADRM COCc1cc(NC(=O)c2sccc2C(C)C)cc(C(=O)[O-])c1 ZINC000427690033 974055232 /nfs/dbraw/zinc/05/52/32/974055232.db2.gz RIBORGLOGOKTIT-UHFFFAOYSA-N -1 0 333.409 3.968 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)[C@@H](Sc1ccccc1F)c1ccccc1 ZINC000427748624 974058069 /nfs/dbraw/zinc/05/80/69/974058069.db2.gz ZCWKWZLFXXYTBH-PXAZEXFGSA-N -1 0 347.411 3.639 20 0 EHADRM Cc1ccc2nc(C3CC3)cc(C(=O)N(CC(=O)[O-])CC(C)C)c2c1 ZINC000431444467 974064404 /nfs/dbraw/zinc/06/44/04/974064404.db2.gz IVYZRBDMMWMEQW-UHFFFAOYSA-N -1 0 340.423 3.603 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1cccc(-c2ccoc2)c1)c1ccccc1 ZINC000431524527 974067856 /nfs/dbraw/zinc/06/78/56/974067856.db2.gz PNCRASWQOXPNBC-GOSISDBHSA-N -1 0 335.359 3.545 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)c2scnc2C2CC2)c1 ZINC000431661517 974072544 /nfs/dbraw/zinc/07/25/44/974072544.db2.gz AKSGKUKYZZVDMN-UHFFFAOYSA-N -1 0 348.449 3.591 20 0 EHADRM CCn1nc(C(C)C)cc1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000432006225 974084190 /nfs/dbraw/zinc/08/41/90/974084190.db2.gz JCUAACBNZGTQQQ-ZDUSSCGKSA-N -1 0 343.427 3.542 20 0 EHADRM COc1cccc([C@@H](C)NC(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC001604856893 974099332 /nfs/dbraw/zinc/09/93/32/974099332.db2.gz HELCEXOGWQVEJG-CYBMUJFWSA-N -1 0 342.395 3.595 20 0 EHADRM CCc1ccc(C(C)(C)C(=O)NCC2(C(=O)[O-])CCCCC2)cc1 ZINC000439932866 974113740 /nfs/dbraw/zinc/11/37/40/974113740.db2.gz XQKPHTIUYUXELL-UHFFFAOYSA-N -1 0 331.456 3.678 20 0 EHADRM Cc1cccc([C@H](C)C(=O)N[C@](C)(CC(=O)[O-])c2cccc(F)c2)c1 ZINC000448986994 974126767 /nfs/dbraw/zinc/12/67/67/974126767.db2.gz ABWLYCKOOMZQHG-VBKZILBWSA-N -1 0 343.398 3.744 20 0 EHADRM CCCCS[C@@H](C)C(=O)N[C@@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC000448993725 974133352 /nfs/dbraw/zinc/13/33/52/974133352.db2.gz NMIAKDZLBDTVQD-SJCJKPOMSA-N -1 0 341.448 3.554 20 0 EHADRM Cc1ccc(C(=O)N[C@](C)(CC(=O)[O-])c2cccc(F)c2)c(C)c1 ZINC000449005807 974144348 /nfs/dbraw/zinc/14/43/48/974144348.db2.gz XDNZZCLUTTUVOG-LJQANCHMSA-N -1 0 329.371 3.562 20 0 EHADRM Cc1ccc([C@H](CNC(=O)CC[C@@H](C)c2ccccc2)C(=O)[O-])cc1 ZINC000450521374 974146712 /nfs/dbraw/zinc/14/67/12/974146712.db2.gz XRLUYAZMYPVYJP-APWZRJJASA-N -1 0 339.435 3.863 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)CC[C@H](C)c2ccccc2)C(=O)[O-])cc1 ZINC000450521378 974147040 /nfs/dbraw/zinc/14/70/40/974147040.db2.gz XRLUYAZMYPVYJP-QFBILLFUSA-N -1 0 339.435 3.863 20 0 EHADRM CC(C)COCCC(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000455886774 974162038 /nfs/dbraw/zinc/16/20/38/974162038.db2.gz KCKGPCZKBNSPQV-GOSISDBHSA-N -1 0 343.423 3.535 20 0 EHADRM CSCc1ccc(C(=O)N(Cc2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000455891354 974163114 /nfs/dbraw/zinc/16/31/14/974163114.db2.gz GUOSVFLRBVSEKV-CQSZACIVSA-N -1 0 343.448 3.665 20 0 EHADRM C[C@@H](NC(=O)c1sccc1C1CC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000455930987 974172287 /nfs/dbraw/zinc/17/22/87/974172287.db2.gz INWMNCATTXXHCE-WBMJQRKESA-N -1 0 343.448 3.687 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)nc1 ZINC000519604420 974330918 /nfs/dbraw/zinc/33/09/18/974330918.db2.gz DBIYULOXGBWVIX-ZDUSSCGKSA-N -1 0 326.396 3.721 20 0 EHADRM O=C([O-])c1occc1CN1CCc2cccc(C(F)(F)F)c2C1 ZINC000528748766 974352844 /nfs/dbraw/zinc/35/28/44/974352844.db2.gz MAKSGPCMNLIUDC-UHFFFAOYSA-N -1 0 325.286 3.555 20 0 EHADRM O=C([O-])CC1(NC(=O)CCCc2ccc(Cl)cc2)CCCCC1 ZINC000531742729 974366767 /nfs/dbraw/zinc/36/67/67/974366767.db2.gz IRGOQUPVCSVPGK-UHFFFAOYSA-N -1 0 337.847 3.957 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N2CCCC[C@@H]2Cc2ccccc2)c1 ZINC000537476047 974385161 /nfs/dbraw/zinc/38/51/61/974385161.db2.gz WVIXBYZSWKIGOA-LJQANCHMSA-N -1 0 337.419 3.551 20 0 EHADRM CC(C)Oc1ccccc1[C@@H](C)NC(=O)c1ccc(C(=O)[O-])s1 ZINC000538468990 974387940 /nfs/dbraw/zinc/38/79/40/974387940.db2.gz XVTVXBVQKXDKKS-LLVKDONJSA-N -1 0 333.409 3.725 20 0 EHADRM Cc1cc(OC(C)C)ccc1NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000539674982 974397579 /nfs/dbraw/zinc/39/75/79/974397579.db2.gz LKSKJYUVQQMDOE-UHFFFAOYSA-N -1 0 327.380 3.662 20 0 EHADRM CCOCCC1(C(=O)NCC2(CC(=O)[O-])CCCCC2)CCCC1 ZINC000540775847 974408386 /nfs/dbraw/zinc/40/83/86/974408386.db2.gz SYTVIOBLUYJGQU-UHFFFAOYSA-N -1 0 339.476 3.515 20 0 EHADRM CCn1cc(CC(=O)Nc2ccc(C)cc2C(=O)[O-])c2ccccc21 ZINC000543446116 974417400 /nfs/dbraw/zinc/41/74/00/974417400.db2.gz AKMYRAJHZBHYGB-UHFFFAOYSA-N -1 0 336.391 3.849 20 0 EHADRM CC[C@H](NC(=O)Cc1ccccc1C(=O)[O-])c1ccc(C)c(F)c1 ZINC001603943588 974426902 /nfs/dbraw/zinc/42/69/02/974426902.db2.gz NQEWQEVFKUZGRF-KRWDZBQOSA-N -1 0 329.371 3.642 20 0 EHADRM CC[C@H](NC(=O)c1ccccc1NCc1ccccc1Cl)C(=O)[O-] ZINC001603954690 974433715 /nfs/dbraw/zinc/43/37/15/974433715.db2.gz BCYRNXGVZGRRDD-HNNXBMFYSA-N -1 0 346.814 3.545 20 0 EHADRM Cc1nc(CC2CC2)sc1C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000560444723 974501262 /nfs/dbraw/zinc/50/12/62/974501262.db2.gz WRRVAQGKYBDIDL-UHFFFAOYSA-N -1 0 330.409 3.663 20 0 EHADRM CN(C(=O)CCC(=O)[O-])[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001604028655 974553797 /nfs/dbraw/zinc/55/37/97/974553797.db2.gz NKBMFJHTBOKLEA-KGLIPLIRSA-N -1 0 343.345 3.665 20 0 EHADRM CC[C@@H]1CN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)CCS1 ZINC000565104615 974570878 /nfs/dbraw/zinc/57/08/78/974570878.db2.gz OOMIUQRLPSFDKW-OAHLLOKOSA-N -1 0 348.493 3.836 20 0 EHADRM O=C([O-])c1cccc(Cl)c1CN1CCO[C@@H](c2ccccc2F)C1 ZINC000566684345 974619911 /nfs/dbraw/zinc/61/99/11/974619911.db2.gz QTLNDOFUDOFKGS-QGZVFWFLSA-N -1 0 349.789 3.751 20 0 EHADRM COc1ccc([C@@H]2CCCCCN2C(=O)C[C@H](C)CC(=O)[O-])cc1 ZINC000566807329 974622230 /nfs/dbraw/zinc/62/22/30/974622230.db2.gz MNZYFASQVNJBSO-YOEHRIQHSA-N -1 0 333.428 3.640 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N(CCC(=O)[O-])CC(C)C ZINC000568320811 974667904 /nfs/dbraw/zinc/66/79/04/974667904.db2.gz MQVXLQOCTOOHPE-UHFFFAOYSA-N -1 0 337.416 3.922 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000568294783 974667975 /nfs/dbraw/zinc/66/79/75/974667975.db2.gz BVCJJINAWCGNOU-YJYMSZOUSA-N -1 0 329.371 3.532 20 0 EHADRM C[C@](CNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)(C(=O)[O-])c1ccccc1 ZINC000568436795 974670916 /nfs/dbraw/zinc/67/09/16/974670916.db2.gz DJFSRBFGQDNDQO-KYFSNAEOSA-N -1 0 343.467 3.752 20 0 EHADRM CC(C)[C@H](C(=O)NC[C@H](CC1CC1)C(=O)[O-])c1cccc(Cl)c1 ZINC000571051928 974722566 /nfs/dbraw/zinc/72/25/66/974722566.db2.gz DPEVDEVOCFKBHO-HOCLYGCPSA-N -1 0 337.847 3.697 20 0 EHADRM O=C([O-])c1ccc(Cl)c(CN2CCO[C@H](c3cccs3)C2)c1 ZINC000571529429 974731370 /nfs/dbraw/zinc/73/13/70/974731370.db2.gz IQDDBPRHLSJSND-AWEZNQCLSA-N -1 0 337.828 3.673 20 0 EHADRM CC(C)Oc1ccc(CN2CCSC[C@H]2CC(=O)[O-])cc1Cl ZINC000571648316 974733228 /nfs/dbraw/zinc/73/32/28/974733228.db2.gz MLVGKGDOZDIYDD-CYBMUJFWSA-N -1 0 343.876 3.519 20 0 EHADRM Cc1cc(F)cc(C)c1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000572424392 974748305 /nfs/dbraw/zinc/74/83/05/974748305.db2.gz FQUARSQVIPYRSU-ZDUSSCGKSA-N -1 0 329.371 3.958 20 0 EHADRM O=C([O-])[C@H](c1cccnc1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000574332985 974780690 /nfs/dbraw/zinc/78/06/90/974780690.db2.gz YYVFHIPWRWDWFD-ZBFHGGJFSA-N -1 0 339.420 3.654 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N[C@@H](C)CC(F)(F)F)c12 ZINC000574455426 974782520 /nfs/dbraw/zinc/78/25/20/974782520.db2.gz CFKVDNQEKHWSMW-YFKPBYRVSA-N -1 0 333.335 3.759 20 0 EHADRM O=C([O-])c1csc(CN(C2CC2)[C@H]2CCCc3ccccc32)n1 ZINC000575188001 974796750 /nfs/dbraw/zinc/79/67/50/974796750.db2.gz DQLYPTUIFSOQHG-INIZCTEOSA-N -1 0 328.437 3.883 20 0 EHADRM CSc1ccc(CCCC(=O)NCc2ccc(C(=O)[O-])s2)cc1 ZINC000575319251 974798075 /nfs/dbraw/zinc/79/80/75/974798075.db2.gz NURVYDZWBJZBDE-UHFFFAOYSA-N -1 0 349.477 3.807 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)NCCSCc1cccc2ccccc21 ZINC000575935483 974804105 /nfs/dbraw/zinc/80/41/05/974804105.db2.gz USTRHXWZIIGPOF-CQSZACIVSA-N -1 0 345.464 3.690 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)C2(Cc3cccc(F)c3)CCC2)CC1 ZINC000576789853 974821378 /nfs/dbraw/zinc/82/13/78/974821378.db2.gz XGUWTPOQUWFNRC-UHFFFAOYSA-N -1 0 347.430 3.642 20 0 EHADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1ccc(SCc2ccccc2)cc1 ZINC000577006063 974827423 /nfs/dbraw/zinc/82/74/23/974827423.db2.gz MAWQTRYSQINDMP-WKILWMFISA-N -1 0 341.432 3.572 20 0 EHADRM Cc1ccc(CN(Cc2ccco2)C(=O)C[C@H](C)CC(=O)[O-])s1 ZINC000580784233 974899832 /nfs/dbraw/zinc/89/98/32/974899832.db2.gz RLUWBGHBXWDPET-LBPRGKRZSA-N -1 0 335.425 3.679 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC000581609421 974912358 /nfs/dbraw/zinc/91/23/58/974912358.db2.gz BSZLMAANYUIPAX-AWEZNQCLSA-N -1 0 344.455 3.880 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(c2ccnc3ccncc32)CC1 ZINC000582363455 974924811 /nfs/dbraw/zinc/92/48/11/974924811.db2.gz WWBKIWSTMJPGGK-UHFFFAOYSA-N -1 0 347.418 3.787 20 0 EHADRM C[C@H](Nc1ncnc2sc3c(c21)CCC3)c1ncc(C(=O)[O-])s1 ZINC000582847435 974932084 /nfs/dbraw/zinc/93/20/84/974932084.db2.gz OGRZQJPRULUGOE-ZETCQYMHSA-N -1 0 346.437 3.508 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)C2(C(F)(F)F)CCCCC2)c1 ZINC000582916196 974933126 /nfs/dbraw/zinc/93/31/26/974933126.db2.gz SVHCSHDETSUHAM-UHFFFAOYSA-N -1 0 345.317 3.601 20 0 EHADRM Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)C[C@@H](C)CC(=O)[O-] ZINC000583703577 974944515 /nfs/dbraw/zinc/94/45/15/974944515.db2.gz BPZACQCFTPQXMH-CJNGLKHVSA-N -1 0 345.464 3.957 20 0 EHADRM Cc1c(CSC(C)C)cccc1NC(=O)c1cncc(C(=O)[O-])c1 ZINC000600867975 975007801 /nfs/dbraw/zinc/00/78/01/975007801.db2.gz WYKXDVRVWAEAOL-UHFFFAOYSA-N -1 0 344.436 3.982 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)NCCCCCC(=O)[O-] ZINC000604496791 975014628 /nfs/dbraw/zinc/01/46/28/975014628.db2.gz XSFLCWVIYVVRIA-UHFFFAOYSA-N -1 0 335.425 3.671 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1cccs1)c1ccc(F)cc1 ZINC000615938831 975023590 /nfs/dbraw/zinc/02/35/90/975023590.db2.gz JRFYFZLHGRGDBL-FZMZJTMJSA-N -1 0 335.400 3.713 20 0 EHADRM C[C@@H](C(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1)c1cccc(F)c1 ZINC000621588352 975045977 /nfs/dbraw/zinc/04/59/77/975045977.db2.gz WJLQIYWORUSRSF-BVGQSLNGSA-N -1 0 341.382 3.746 20 0 EHADRM CCC[C@H](C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC000621608438 975057154 /nfs/dbraw/zinc/05/71/54/975057154.db2.gz RIFJJCVBWLWKFP-AAEUAGOBSA-N -1 0 332.425 3.602 20 0 EHADRM C[C@H](CCC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC000621611438 975060623 /nfs/dbraw/zinc/06/06/23/975060623.db2.gz CKHIDMKBLINSRW-VXGBXAGGSA-N -1 0 332.425 3.602 20 0 EHADRM C[C@@H](NC(=O)[C@H]1CC[C@H](C2CCC2)CC1)c1ncc(C(=O)[O-])s1 ZINC000621612532 975061317 /nfs/dbraw/zinc/06/13/17/975061317.db2.gz CGQOEKJTMXZBDK-RAIGVLPGSA-N -1 0 336.457 3.625 20 0 EHADRM C[C@H](C(=O)[O-])N(C)Cc1coc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000629358892 975081936 /nfs/dbraw/zinc/08/19/36/975081936.db2.gz NFHUJHNUJDROSX-MRVPVSSYSA-N -1 0 329.183 3.553 20 0 EHADRM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cncc(C(=O)[O-])c1 ZINC000630113816 975107073 /nfs/dbraw/zinc/10/70/73/975107073.db2.gz VJNFZQJUYRWTBU-QZTJIDSGSA-N -1 0 338.407 3.578 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)[C@@H]1Cc2ccc(Cl)cc21)c1ccccc1 ZINC000630126281 975112065 /nfs/dbraw/zinc/11/20/65/975112065.db2.gz FZTGDEYMBDZCFK-SJORKVTESA-N -1 0 343.810 3.702 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C[C@@H](C)c1ccco1 ZINC000630127858 975113439 /nfs/dbraw/zinc/11/34/39/975113439.db2.gz VRSOVMFQLLEULK-GFCCVEGCSA-N -1 0 331.368 3.897 20 0 EHADRM Cc1ccc(C)c(S([O-])=CC(=O)N(Cc2ccccc2)C(C)C)c1 ZINC000107966574 1014237394 /nfs/dbraw/zinc/23/73/94/1014237394.db2.gz BHKPDZKPWNDDSG-XMMPIXPASA-N -1 0 343.492 3.848 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2[C@@H]3c4cccc(Cl)c4C[C@H]23)cc1C(=O)[O-] ZINC000630141969 975125935 /nfs/dbraw/zinc/12/59/35/975125935.db2.gz RWLQZGVLQMDPPY-USXIJHARSA-N -1 0 341.794 3.871 20 0 EHADRM C[C@@H](CC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1)c1ccco1 ZINC000630142841 975126494 /nfs/dbraw/zinc/12/64/94/975126494.db2.gz CPYXELBMOSMFMV-LBPRGKRZSA-N -1 0 335.787 3.540 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000630150853 975131277 /nfs/dbraw/zinc/13/12/77/975131277.db2.gz MCAXYSKDIIOQKV-UHFFFAOYSA-N -1 0 331.368 3.845 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1CC[C@@H](c3ccccc3)C1)CC2 ZINC000630156180 975133352 /nfs/dbraw/zinc/13/33/52/975133352.db2.gz FGNUQABNFJOYRB-QZTJIDSGSA-N -1 0 349.430 3.853 20 0 EHADRM CC[C@@H]1CCCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000630172878 975142947 /nfs/dbraw/zinc/14/29/47/975142947.db2.gz HIBMRTQQONQNDG-NRSFXHEJSA-N -1 0 329.440 3.530 20 0 EHADRM COc1ccccc1[C@@H](CC(C)C)NC(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000630183299 975146220 /nfs/dbraw/zinc/14/62/20/975146220.db2.gz MGUCPLRLAPWLKB-CQSZACIVSA-N -1 0 345.395 3.812 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)c1ccco1 ZINC000630218439 975165035 /nfs/dbraw/zinc/16/50/35/975165035.db2.gz FZGXIHYSGBQCPK-VIFPVBQESA-N -1 0 339.294 3.712 20 0 EHADRM O=C([O-])Cc1ccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000630232742 975179973 /nfs/dbraw/zinc/17/99/73/975179973.db2.gz NQXZVNUOISIUFI-KZNAEPCWSA-N -1 0 329.440 3.536 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CC2CCCC2)c(OCC(F)F)c1 ZINC000630255263 975198713 /nfs/dbraw/zinc/19/87/13/975198713.db2.gz GYWAIOOIRWTLHM-UHFFFAOYSA-N -1 0 327.327 3.548 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N[C@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000630271866 975216482 /nfs/dbraw/zinc/21/64/82/975216482.db2.gz IEECCUNWCPBHEG-XEZPLFJOSA-N -1 0 335.831 3.725 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2[nH]c3ccccc3c2Cl)[C@H]2CCC[C@@H]21 ZINC000630284015 975228910 /nfs/dbraw/zinc/22/89/10/975228910.db2.gz VTJSMDGMNDVDPF-GYSYKLTISA-N -1 0 346.814 3.537 20 0 EHADRM C[C@@H]1CCn2ncc(C(=O)Nc3ccc(C(=O)[O-])c4ccccc34)c2C1 ZINC000630287427 975231702 /nfs/dbraw/zinc/23/17/02/975231702.db2.gz OFNKRALOUQLCPG-GFCCVEGCSA-N -1 0 349.390 3.569 20 0 EHADRM COc1cc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)ccc1C(F)(F)F ZINC000630292181 975233903 /nfs/dbraw/zinc/23/39/03/975233903.db2.gz KXLUXKGFQMMTIT-UWVGGRQHSA-N -1 0 345.317 3.544 20 0 EHADRM CN(C(=O)c1cccc(C(=O)[O-])n1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000630295360 975234961 /nfs/dbraw/zinc/23/49/61/975234961.db2.gz GKPPIFRGOVVFDI-CRAIPNDOSA-N -1 0 338.407 3.578 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2CCC(c3cccc(Cl)c3)CC2)CC1 ZINC000630298815 975237764 /nfs/dbraw/zinc/23/77/64/975237764.db2.gz YSFNTBYVXULIBO-SHTZXODSSA-N -1 0 349.858 3.937 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N[C@@H]2CCCc3ccc(Cl)cc32)C1 ZINC000630304092 975240881 /nfs/dbraw/zinc/24/08/81/975240881.db2.gz DXFZINLOSZXCGY-DVOMOZLQSA-N -1 0 335.831 3.725 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000630328309 975256151 /nfs/dbraw/zinc/25/61/51/975256151.db2.gz LIMJTBSHCPPJNQ-OAUYIBNBSA-N -1 0 341.382 3.831 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000630329388 975257613 /nfs/dbraw/zinc/25/76/13/975257613.db2.gz YICGLXNZKOTLHE-JKSUJKDBSA-N -1 0 341.411 3.685 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@@]2(C)Cc2cccc(C)c2)oc1C(=O)[O-] ZINC000630341803 975263791 /nfs/dbraw/zinc/26/37/91/975263791.db2.gz QUPVWLJRQDHNMF-FQEVSTJZSA-N -1 0 341.407 3.832 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC000630561438 975267965 /nfs/dbraw/zinc/26/79/65/975267965.db2.gz GLTATBIOBGRFID-WMLDXEAASA-N -1 0 348.443 3.686 20 0 EHADRM Cc1nc(C(C)(C)NC(=O)CC2(CC(=O)[O-])CCCC2)sc1C ZINC000634886658 975280352 /nfs/dbraw/zinc/28/03/52/975280352.db2.gz NQNXYWBETKPYOA-UHFFFAOYSA-N -1 0 338.473 3.536 20 0 EHADRM Cc1nc2cc(F)ccc2cc1C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000642148670 975290106 /nfs/dbraw/zinc/29/01/06/975290106.db2.gz MJXFOJUGBYCNTN-UHFFFAOYSA-N -1 0 338.338 3.941 20 0 EHADRM CCc1ccc(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)cc1C ZINC000536664888 1032086351 /nfs/dbraw/zinc/08/63/51/1032086351.db2.gz VJFGGUZXKGMGOD-UHFFFAOYSA-N -1 0 337.419 3.756 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@@H](C)c2ccc(Cl)cc2)c(C)c1 ZINC000107971103 1014255454 /nfs/dbraw/zinc/25/54/54/1014255454.db2.gz ZKSUJGFWHACVSE-PSLXWICFSA-N -1 0 349.883 3.942 20 0 EHADRM CC(C)Nc1cc(F)ccc1NC(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001591667758 975420850 /nfs/dbraw/zinc/42/08/50/975420850.db2.gz BXWLHTOCTJHYNS-UHFFFAOYSA-N -1 0 334.322 3.736 20 0 EHADRM CC(C)Nc1cc(F)ccc1NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001591668278 975424210 /nfs/dbraw/zinc/42/42/10/975424210.db2.gz WESFNYPEPANCCZ-VMPITWQZSA-N -1 0 332.331 3.589 20 0 EHADRM O=C([O-])CCCCCNC(=O)CCCc1ccc2c(c1)CCCC2 ZINC000652058362 975461655 /nfs/dbraw/zinc/46/16/55/975461655.db2.gz UAUFVUCRKSXLDP-UHFFFAOYSA-N -1 0 331.456 3.649 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)COC[C@H](C)c1ccccc1 ZINC000652067393 975466707 /nfs/dbraw/zinc/46/67/07/975466707.db2.gz WGIWFPMHPCXIRL-HNNXBMFYSA-N -1 0 341.407 3.760 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)C[C@@H](c1ccccc1)C(F)(F)F)C(=O)[O-] ZINC000652076869 975474136 /nfs/dbraw/zinc/47/41/36/975474136.db2.gz BUOVJEKRVBYPOP-STQMWFEESA-N -1 0 345.361 3.728 20 0 EHADRM CCO[C@H]1CCCN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000652394766 975520988 /nfs/dbraw/zinc/52/09/88/975520988.db2.gz DYWGZPLFMMGGJX-SMDDNHRTSA-N -1 0 332.227 3.620 20 0 EHADRM CCO[C@@H]1CCCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC000652394777 975521019 /nfs/dbraw/zinc/52/10/19/975521019.db2.gz FQKQSEMFDZGYIV-QMTHXVAHSA-N -1 0 332.227 3.620 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CN1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000652401458 975522757 /nfs/dbraw/zinc/52/27/57/975522757.db2.gz GNOSEEPCHRVREH-BLLLJJGKSA-N -1 0 331.437 3.717 20 0 EHADRM CC(C)O[C@@H]1C[C@H](NC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)C1(C)C ZINC001591695937 975528448 /nfs/dbraw/zinc/52/84/48/975528448.db2.gz NIHCNCBPRCZELG-UHOFOFEASA-N -1 0 348.443 3.588 20 0 EHADRM CCN(Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)[C@@H]1CCCOC1 ZINC000652506945 975569452 /nfs/dbraw/zinc/56/94/52/975569452.db2.gz OZTUYMIUJWEEMY-MRXNPFEDSA-N -1 0 346.452 3.509 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N(Cc2ccc3ccccc3c2)C2CC2)C1 ZINC000653300019 975580159 /nfs/dbraw/zinc/58/01/59/975580159.db2.gz KDMSXIRVGYJLHC-ZWKOTPCHSA-N -1 0 337.419 3.832 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)C2(c3ccccc3)CCCC2)c2ccccc21 ZINC000653335354 975592228 /nfs/dbraw/zinc/59/22/28/975592228.db2.gz NWDBYHSMRMWNAO-MOPGFXCFSA-N -1 0 349.430 3.928 20 0 EHADRM Cc1cc(C)cc(C2(C(=O)N[C@H]3C[C@@H](C(=O)[O-])c4ccccc43)CC2)c1 ZINC000653335090 975592333 /nfs/dbraw/zinc/59/23/33/975592333.db2.gz LQZNFTYOXRDGGX-MOPGFXCFSA-N -1 0 349.430 3.764 20 0 EHADRM CCC[C@@H](NC(=O)c1cccc(CC(=O)[O-])c1)c1ccc(F)cc1F ZINC000653642901 975610664 /nfs/dbraw/zinc/61/06/64/975610664.db2.gz CMAGNASWKYNQSI-QGZVFWFLSA-N -1 0 347.361 3.863 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)NC2(Cc3ccccc3)CCCC2)c1 ZINC000653643895 975612722 /nfs/dbraw/zinc/61/27/22/975612722.db2.gz YZDXRYVJXLTITN-UHFFFAOYSA-N -1 0 337.419 3.599 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000653644613 975614494 /nfs/dbraw/zinc/61/44/94/975614494.db2.gz ZMUXWTWOCWCGDI-ZCNNSNEGSA-N -1 0 349.430 3.722 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)CCCc2c(F)cccc2F)cc1 ZINC000656235823 975650245 /nfs/dbraw/zinc/65/02/45/975650245.db2.gz VSACMCZISPRYCU-UHFFFAOYSA-N -1 0 347.361 3.943 20 0 EHADRM Cc1oc(CN(C)C(=O)c2ccc(C(F)F)cc2F)cc1C(=O)[O-] ZINC000656234897 975650325 /nfs/dbraw/zinc/65/03/25/975650325.db2.gz TUXXFRZVIZZECZ-UHFFFAOYSA-N -1 0 341.285 3.635 20 0 EHADRM CC(C)OCc1ccc(C(=O)OCc2ccsc2C(=O)[O-])cc1 ZINC001591730772 975699499 /nfs/dbraw/zinc/69/94/99/975699499.db2.gz AHDJZZKZGNPQJZ-UHFFFAOYSA-N -1 0 334.393 3.728 20 0 EHADRM C[C@H](NC(=O)C1(C(=O)[O-])CC2(CCC2)C1)C(C)(C)c1ccccc1 ZINC000659121774 975720632 /nfs/dbraw/zinc/72/06/32/975720632.db2.gz KWTKUASTJXHBCP-AWEZNQCLSA-N -1 0 329.440 3.504 20 0 EHADRM COc1cccc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1C ZINC000659137545 975738125 /nfs/dbraw/zinc/73/81/25/975738125.db2.gz XVXCCQHARPVEJG-UHFFFAOYSA-N -1 0 327.380 3.618 20 0 EHADRM CC(C)Oc1c(NC(=O)N[C@H]2C[C@]2(C)C(C)C)cccc1C(=O)[O-] ZINC001591744232 975766655 /nfs/dbraw/zinc/76/66/55/975766655.db2.gz KIZDIRUJJRDVBT-KBXCAEBGSA-N -1 0 334.416 3.728 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc3c(c2)CCC=C3)[C@@H]2CCCC[C@H]12 ZINC000659189871 975785560 /nfs/dbraw/zinc/78/55/60/975785560.db2.gz HWLGCTDLFXIASV-GUDVDZBRSA-N -1 0 339.435 3.752 20 0 EHADRM CC(C)c1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)cc1 ZINC000659196041 975799698 /nfs/dbraw/zinc/79/96/98/975799698.db2.gz SGAUMZFECJQZBZ-FGTMMUONSA-N -1 0 329.440 3.916 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N(Cc2ccccc2F)CC2CC2)c1 ZINC000659201259 975808606 /nfs/dbraw/zinc/80/86/06/975808606.db2.gz KISXBCZZGOXWRF-UHFFFAOYSA-N -1 0 341.382 3.505 20 0 EHADRM O=C([O-])C[C@H](CNC(=O)Cc1ccc(-c2ccccc2)cc1)C1CC1 ZINC000659204263 975813382 /nfs/dbraw/zinc/81/33/82/975813382.db2.gz MMGRAHUHUYJIOB-LJQANCHMSA-N -1 0 337.419 3.513 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)NC[C@H](CC(=O)[O-])C2CC2)cc1 ZINC000659206393 975815968 /nfs/dbraw/zinc/81/59/68/975815968.db2.gz JPLVIDPFLDASPA-HNNXBMFYSA-N -1 0 343.448 3.954 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC000659210842 975821957 /nfs/dbraw/zinc/82/19/57/975821957.db2.gz VTFSYACGIVFYTC-CQSZACIVSA-N -1 0 337.847 3.526 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)NCc1ccc(C(=O)[O-])cc1F ZINC000659224884 975836941 /nfs/dbraw/zinc/83/69/41/975836941.db2.gz BYBWVNLSPWUPGK-LBPRGKRZSA-N -1 0 347.361 3.548 20 0 EHADRM CC(C)Oc1ccc(C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)cc1 ZINC001591760923 975843210 /nfs/dbraw/zinc/84/32/10/975843210.db2.gz BONXQNGHNJREGI-UHFFFAOYSA-N -1 0 338.363 3.906 20 0 EHADRM Cc1cccc(C)c1[C@H]1CCCN1C(=O)NCCCCCC(=O)[O-] ZINC000659407227 975848802 /nfs/dbraw/zinc/84/88/02/975848802.db2.gz XUXIORIAHWQLRZ-MRXNPFEDSA-N -1 0 332.444 3.795 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C ZINC001591761844 975854115 /nfs/dbraw/zinc/85/41/15/975854115.db2.gz QFAWVWDUNJGTTP-CYUUQNCZSA-N -1 0 331.412 3.793 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001591766910 975871888 /nfs/dbraw/zinc/87/18/88/975871888.db2.gz ADNZPAWFXUALLU-VNHYZAJKSA-N -1 0 346.427 3.730 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NC[C@]1(C)CC1(C)C ZINC001591766934 975872043 /nfs/dbraw/zinc/87/20/43/975872043.db2.gz ARZLHFGKTLLCPY-SFHVURJKSA-N -1 0 334.416 3.730 20 0 EHADRM CC(C)=CCC[N@@H+]1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-] ZINC000659789084 975874760 /nfs/dbraw/zinc/87/47/60/975874760.db2.gz QBUYVQWBWWRUFI-OAHLLOKOSA-N -1 0 338.245 3.617 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NC[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C ZINC001591768075 975887188 /nfs/dbraw/zinc/88/71/88/975887188.db2.gz ZAWBMBOWUWATGJ-MHEUCROKSA-N -1 0 346.427 3.586 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NCc1nnc(C(C)C)s1 ZINC001591772885 975909405 /nfs/dbraw/zinc/90/94/05/975909405.db2.gz OMTZEGMZOAWDBQ-UHFFFAOYSA-N -1 0 335.429 3.759 20 0 EHADRM CC(C)Oc1ccc(COC(=O)c2cnccc2C(=O)[O-])cc1Cl ZINC001591775395 975918716 /nfs/dbraw/zinc/91/87/16/975918716.db2.gz RJDDVOPXFYLXBO-UHFFFAOYSA-N -1 0 349.770 3.577 20 0 EHADRM Cc1ccc([C@@H]2C[C@H]2C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1C ZINC000663118959 975924710 /nfs/dbraw/zinc/92/47/10/975924710.db2.gz IRWVRCMKJHBGNT-NMLBUPMWSA-N -1 0 349.430 3.836 20 0 EHADRM CC(C)Oc1ccc(Cl)cc1C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001591777950 975933919 /nfs/dbraw/zinc/93/39/19/975933919.db2.gz DANOBJXNZHKKPV-YPMHNXCESA-N -1 0 339.819 3.500 20 0 EHADRM O=C([O-])c1ccnc(C(=O)Nc2ccc(NC3CCCCC3)cc2)c1 ZINC000668147909 975976880 /nfs/dbraw/zinc/97/68/80/975976880.db2.gz BMIFRKXKFVFMPT-UHFFFAOYSA-N -1 0 339.395 3.777 20 0 EHADRM CSc1cc(C)c(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)o1 ZINC000668270629 975979200 /nfs/dbraw/zinc/97/92/00/975979200.db2.gz LEHCTRZASVJPPQ-CYBMUJFWSA-N -1 0 333.409 3.646 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)C2)cc1 ZINC000668300475 975991185 /nfs/dbraw/zinc/99/11/85/975991185.db2.gz OCVDZKIRMLNBKZ-VDHUWJSZSA-N -1 0 329.440 3.590 20 0 EHADRM Cc1ccc([C@H]2C[C@H](C)N(C(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)C2)cc1 ZINC000668300470 975991698 /nfs/dbraw/zinc/99/16/98/975991698.db2.gz OCVDZKIRMLNBKZ-DKIMLUQUSA-N -1 0 329.440 3.590 20 0 EHADRM O=C([O-])CC1(CNC(=O)C[C@H]2CCc3ccccc32)CCCCC1 ZINC000679098509 976041760 /nfs/dbraw/zinc/04/17/60/976041760.db2.gz UWZLYRRYGPXYFM-MRXNPFEDSA-N -1 0 329.440 3.648 20 0 EHADRM Cc1cccc(OCCCCC(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000681681495 976072864 /nfs/dbraw/zinc/07/28/64/976072864.db2.gz LXPPBFZYMPDRGQ-UHFFFAOYSA-N -1 0 327.380 3.881 20 0 EHADRM C[C@H](C(=O)N(CC(=O)[O-])C1CCCCC1)c1ccc(Cl)s1 ZINC000683308497 976083236 /nfs/dbraw/zinc/08/32/36/976083236.db2.gz WAROSPJJLJKEAE-JTQLQIEISA-N -1 0 329.849 3.751 20 0 EHADRM CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000684771119 976091757 /nfs/dbraw/zinc/09/17/57/976091757.db2.gz CUUXSCVKIJUSIK-XYPYZODXSA-N -1 0 344.238 3.843 20 0 EHADRM Cc1cc(C)c2c(c1)C(=O)/C(=C\c1ccc([O-])c([N+](=O)[O-])c1)CO2 ZINC000063412015 1014312083 /nfs/dbraw/zinc/31/20/83/1014312083.db2.gz JUCQYCLIDBPDQQ-QPEQYQDCSA-N -1 0 325.320 3.576 20 0 EHADRM CC(C)c1cc(C(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)no1 ZINC001591926241 976415329 /nfs/dbraw/zinc/41/53/29/976415329.db2.gz YOGAHQDNTDYIBX-CQSZACIVSA-N -1 0 336.432 3.732 20 0 EHADRM CC(C)c1cc(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)on1 ZINC001591931090 976431647 /nfs/dbraw/zinc/43/16/47/976431647.db2.gz QWUZOMCBZJSCSU-UHFFFAOYSA-N -1 0 326.711 3.541 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)NC[C@H](CC(=O)[O-])C2CC2)cc1 ZINC001591947498 976490832 /nfs/dbraw/zinc/49/08/32/976490832.db2.gz LPJPNGXIYNDMIC-KSSFIOAISA-N -1 0 331.456 3.921 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2nc3c(s2)CC[C@@H](C(=O)[O-])C3)cc1 ZINC001591947776 976495102 /nfs/dbraw/zinc/49/51/02/976495102.db2.gz VRGYPQRIYNGFCG-CYBMUJFWSA-N -1 0 344.436 3.708 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)Nc2cccc(CC(=O)[O-])n2)cc1 ZINC001591948558 976500935 /nfs/dbraw/zinc/50/09/35/976500935.db2.gz JDOYZAWNNZUTQW-AWEZNQCLSA-N -1 0 340.423 3.964 20 0 EHADRM CC(C)c1ccc([C@@H]2CCCN2C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001591949645 976508296 /nfs/dbraw/zinc/50/82/96/976508296.db2.gz YDILWNNMEFVVTM-SQNIBIBYSA-N -1 0 344.455 3.910 20 0 EHADRM CC(C)c1ccc(CCCNC(=O)c2ccsc2CC(=O)[O-])cc1 ZINC001591952922 976514386 /nfs/dbraw/zinc/51/43/86/976514386.db2.gz OJBQNHXJKRAUGH-UHFFFAOYSA-N -1 0 345.464 3.861 20 0 EHADRM CC(C)c1ccc(NC(=O)[C@@H]2CCc3cccc(O)c32)c(C(=O)[O-])c1 ZINC001591962686 976550884 /nfs/dbraw/zinc/55/08/84/976550884.db2.gz OPYTUJVSAPDPRG-CQSZACIVSA-N -1 0 339.391 3.882 20 0 EHADRM CC(C)c1ccc(NC(=O)NCc2ccc(Cl)c(C(=O)[O-])n2)cc1 ZINC001591965883 976560925 /nfs/dbraw/zinc/56/09/25/976560925.db2.gz UHJYYXILNVCYAD-UHFFFAOYSA-N -1 0 347.802 3.878 20 0 EHADRM CC(C)c1ccc(NCC(=O)Nc2cc(F)ccc2F)c(C(=O)[O-])c1 ZINC001591968197 976565426 /nfs/dbraw/zinc/56/54/26/976565426.db2.gz KGWZKFNEBXWXFP-UHFFFAOYSA-N -1 0 348.349 3.837 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)NCc1ccc(C(=O)[O-])o1)CC2 ZINC001591973513 976576535 /nfs/dbraw/zinc/57/65/35/976576535.db2.gz CHEHFCOCTRDFHT-MRXNPFEDSA-N -1 0 342.395 3.588 20 0 EHADRM CC(C)c1ccc(SCC(=O)NCc2ccccc2C(=O)[O-])cc1 ZINC001591974037 976583967 /nfs/dbraw/zinc/58/39/67/976583967.db2.gz OURALRHDMCSHPT-UHFFFAOYSA-N -1 0 343.448 3.917 20 0 EHADRM CC(C)c1ccc2occ(C(=O)NCc3ccoc3C(=O)[O-])c2c1 ZINC001591980670 976594651 /nfs/dbraw/zinc/59/46/51/976594651.db2.gz KSCUQXXQNBDMSA-UHFFFAOYSA-N -1 0 327.336 3.777 20 0 EHADRM CC(C)c1ccc2ncnc(N[C@H]3C[C@H]4C[C@@H](C(=O)[O-])C[C@H]43)c2c1 ZINC001591980644 976595186 /nfs/dbraw/zinc/59/51/86/976595186.db2.gz JEZBFXCMNNVVPA-WBOJAVRRSA-N -1 0 325.412 3.664 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)[nH]c2c1 ZINC001591981164 976595837 /nfs/dbraw/zinc/59/58/37/976595837.db2.gz QEDJRBZOZLRSDL-MRXNPFEDSA-N -1 0 330.428 3.911 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)N1CC[C@](C)(C(=O)[O-])C1)CCC2 ZINC001591981160 976596019 /nfs/dbraw/zinc/59/60/19/976596019.db2.gz PYXDPLGJMMAFRM-PXNSSMCTSA-N -1 0 344.455 3.694 20 0 EHADRM CC(C)c1cccc(-c2ccc(C(=O)OCC(=O)CCC(=O)[O-])o2)c1 ZINC001591982732 976600227 /nfs/dbraw/zinc/60/02/27/976600227.db2.gz CZKJLBPHAYKXPO-UHFFFAOYSA-N -1 0 344.363 3.661 20 0 EHADRM CC(C)c1cccc(C(=O)OCc2cc(C(=O)[O-])ccc2Cl)n1 ZINC001591988191 976615157 /nfs/dbraw/zinc/61/51/57/976615157.db2.gz YNHALJNLXQLCBO-UHFFFAOYSA-N -1 0 333.771 3.914 20 0 EHADRM CC(C)c1nc2cc(NC(=O)Cc3ccc(C(=O)[O-])cc3)ccc2o1 ZINC001592030145 976732760 /nfs/dbraw/zinc/73/27/60/976732760.db2.gz BPNQEAHAJQQAPI-UHFFFAOYSA-N -1 0 338.363 3.831 20 0 EHADRM CC(C)c1scnc1C(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC001592117514 976920346 /nfs/dbraw/zinc/92/03/46/976920346.db2.gz QRJBQJSZASPGCK-UHFFFAOYSA-N -1 0 337.422 3.662 20 0 EHADRM CC(C)n1c(=O)c2ccccc2nc1SCc1ccoc1C(=O)[O-] ZINC001592121449 976929570 /nfs/dbraw/zinc/92/95/70/976929570.db2.gz UULCGRDHQJVUCT-UHFFFAOYSA-N -1 0 344.392 3.561 20 0 EHADRM CC(C)n1ccc(CC(=O)Nc2cccc3cc(C(=O)[O-])sc32)n1 ZINC001592133176 976974291 /nfs/dbraw/zinc/97/42/91/976974291.db2.gz DZWQFSAYLGFGEY-UHFFFAOYSA-N -1 0 343.408 3.558 20 0 EHADRM CC(C)n1nc(-c2ccco2)cc1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001592150099 977020935 /nfs/dbraw/zinc/02/09/35/977020935.db2.gz SVZYFZWCQYEKIZ-QWHCGFSZSA-N -1 0 345.399 3.554 20 0 EHADRM C[C@H](/C=C\C(=O)[O-])NC(=O)[C@H](C)Sc1cc(Cl)ccc1Cl ZINC001592195737 977183136 /nfs/dbraw/zinc/18/31/36/977183136.db2.gz XSHFPWLXEIWFRK-JQUXWSAYSA-N -1 0 348.251 3.620 20 0 EHADRM O=C([O-])COc1cccc(C(=O)/C=C/c2ccc(Cl)cc2F)c1 ZINC000187834647 1014393958 /nfs/dbraw/zinc/39/39/58/1014393958.db2.gz RTHVQZZQGMQNRB-FNORWQNLSA-N -1 0 334.730 3.839 20 0 EHADRM C[C@@H](CC(=O)N1C[C@@H](C(=O)[O-])Cc2ccccc21)c1cccc(F)c1 ZINC001592227871 977426977 /nfs/dbraw/zinc/42/69/77/977426977.db2.gz UDKUQPCBZNBRRG-BBRMVZONSA-N -1 0 341.382 3.609 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1)c1ccncc1 ZINC001592243223 977467190 /nfs/dbraw/zinc/46/71/90/977467190.db2.gz UNOSMASCTZMKMN-YJBOKZPZSA-N -1 0 346.471 3.895 20 0 EHADRM C[C@H](CC(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1)C1CC1 ZINC001592261393 977502104 /nfs/dbraw/zinc/50/21/04/977502104.db2.gz AYHKFBRQEPWLHN-SSDOTTSWSA-N -1 0 344.180 3.661 20 0 EHADRM C[C@H](CC(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-])c1ccncc1 ZINC001592262724 977510247 /nfs/dbraw/zinc/51/02/47/977510247.db2.gz ZXDXPVDQJJVCMI-SECBINFHSA-N -1 0 336.750 3.705 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(CC(=O)[O-])cc1)c1c[nH]c2ccccc21 ZINC001592269578 977529593 /nfs/dbraw/zinc/52/95/93/977529593.db2.gz MWUYPEKTYHAARE-ZDUSSCGKSA-N -1 0 336.391 3.927 20 0 EHADRM C[C@@H](CC(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1)c1cccc(F)c1 ZINC001592278056 977559290 /nfs/dbraw/zinc/55/92/90/977559290.db2.gz NIHXQCJHFNZZKR-JTQLQIEISA-N -1 0 341.342 3.533 20 0 EHADRM Cc1c(/C=C(/CCC(=O)[O-])c2nc3ccccc3s2)cnn1C ZINC000339430046 1014417861 /nfs/dbraw/zinc/41/78/61/1014417861.db2.gz ZPNVBZRXBKBJEQ-XFXZXTDPSA-N -1 0 327.409 3.744 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N(Cc1ccccc1)Cc1ccccc1F ZINC001592371636 977896764 /nfs/dbraw/zinc/89/67/64/977896764.db2.gz XWHCSRFGTPUEHG-HNNXBMFYSA-N -1 0 343.398 3.855 20 0 EHADRM C[C@@H](CC(=O)[O-])Cc1nnc(-c2ccc(COc3ccccc3)o2)o1 ZINC001592406774 977986798 /nfs/dbraw/zinc/98/67/98/977986798.db2.gz WHFCYPCMOSBOOC-GFCCVEGCSA-N -1 0 342.351 3.562 20 0 EHADRM C[C@H](CC(=O)O[C@@H]1CCCC[C@@H]1C(=O)[O-])c1c[nH]c2ccccc21 ZINC001592430251 978062028 /nfs/dbraw/zinc/06/20/28/978062028.db2.gz WXJWBDASZWKQAN-HACGYAERSA-N -1 0 329.396 3.848 20 0 EHADRM C[C@@H](CC(=O)Oc1ccc(CC(=O)[O-])cc1F)c1cccc(F)c1 ZINC001592433882 978070463 /nfs/dbraw/zinc/07/04/63/978070463.db2.gz PQTPQYVLSDKJRH-NSHDSACASA-N -1 0 334.318 3.691 20 0 EHADRM C[C@@H](CC(=O)OCc1cccc(C(=O)[O-])n1)Cc1ccc(Cl)cc1 ZINC001592434071 978071541 /nfs/dbraw/zinc/07/15/41/978071541.db2.gz SBKRCBVEIHZTEB-GFCCVEGCSA-N -1 0 347.798 3.745 20 0 EHADRM C[C@H](CC(C)(C)CC(=O)[O-])Nc1cc(N2CCCC2=O)ccc1F ZINC001592446352 978124172 /nfs/dbraw/zinc/12/41/72/978124172.db2.gz WTHFYJDRDYRLNA-GFCCVEGCSA-N -1 0 336.407 3.644 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N[C@@H](C)CC1CCC1 ZINC001592459241 978177664 /nfs/dbraw/zinc/17/76/64/978177664.db2.gz LIZUKWLBQINMGD-LBPRGKRZSA-N -1 0 334.416 3.872 20 0 EHADRM C[C@H](CC1CCC1)NC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001592459544 978179522 /nfs/dbraw/zinc/17/95/22/978179522.db2.gz NRUBTOQLBKZZQB-CYBMUJFWSA-N -1 0 345.443 3.685 20 0 EHADRM C[C@H](CCC(=O)Nc1cc2c(cc1C(=O)[O-])OCO2)c1ccccc1 ZINC001592469823 978214188 /nfs/dbraw/zinc/21/41/88/978214188.db2.gz AYFZIKPCEUCQPJ-GFCCVEGCSA-N -1 0 341.363 3.636 20 0 EHADRM C[C@@H](CCC(=O)N[C@@](C)(C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC001592471113 978229859 /nfs/dbraw/zinc/22/98/59/978229859.db2.gz PXYCLUCBCGVLFO-VBKZILBWSA-N -1 0 343.398 3.826 20 0 EHADRM C[C@@H](CCC(=O)Oc1ccc(N(C)C)c(C(=O)[O-])c1)c1ccccc1 ZINC001592471250 978230320 /nfs/dbraw/zinc/23/03/20/978230320.db2.gz WYYRFWLWPAZHGT-AWEZNQCLSA-N -1 0 341.407 3.940 20 0 EHADRM C[C@H](CCC(C)(C)C)C(=O)N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001592477658 978245539 /nfs/dbraw/zinc/24/55/39/978245539.db2.gz MJTJKOPDYRLVDR-GRYCIOLGSA-N -1 0 337.382 3.560 20 0 EHADRM CC(C)[C@@H](OC(=O)CCc1nc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000736390350 978328431 /nfs/dbraw/zinc/32/84/31/978328431.db2.gz OAHQVWJIJYTNJI-CQSZACIVSA-N -1 0 341.816 3.535 20 0 EHADRM C[C@@H](CCNC(=O)NCc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC001592519823 978365494 /nfs/dbraw/zinc/36/54/94/978365494.db2.gz CONYUZMWOCJQLI-ZDUSSCGKSA-N -1 0 344.386 3.517 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)O[C@@H](C(=O)[O-])c1ccsc1 ZINC001592540117 978422171 /nfs/dbraw/zinc/42/21/71/978422171.db2.gz FXFLJOHLIYMIBO-XHDPSFHLSA-N -1 0 336.384 3.825 20 0 EHADRM C[C@@H](CCc1ccco1)NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001592552402 978439737 /nfs/dbraw/zinc/43/97/37/978439737.db2.gz YEXKWGOOMZZGEA-AFAVFJNCSA-N -1 0 342.395 3.611 20 0 EHADRM Cc1cc(C)c(C)c(OCCC(=O)O[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000738355649 978522901 /nfs/dbraw/zinc/52/29/01/978522901.db2.gz KTXDVWGSHOMGIE-LJQANCHMSA-N -1 0 342.391 3.750 20 0 EHADRM O=C([O-])[C@H](Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc(F)cc1 ZINC000739511203 978643535 /nfs/dbraw/zinc/64/35/35/978643535.db2.gz DDLVKHZUSXGZCZ-ZWKOTPCHSA-N -1 0 345.370 3.621 20 0 EHADRM O=C([O-])[C@@H](Nc1cccc(OC(F)(F)F)c1)c1ccc(F)cc1 ZINC000739511215 978643556 /nfs/dbraw/zinc/64/35/56/978643556.db2.gz DMFOTZGRGAEJII-ZDUSSCGKSA-N -1 0 329.249 3.962 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)[C@@H]1CCSc2ccccc21 ZINC000740077613 978666428 /nfs/dbraw/zinc/66/64/28/978666428.db2.gz MUIFSILURSWRKA-GFCCVEGCSA-N -1 0 331.368 3.742 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)/C(=C\c1ccc(F)cc1)c1cccs1 ZINC000746375244 978684816 /nfs/dbraw/zinc/68/48/16/978684816.db2.gz ZBNITBSDVWROJX-QINSGFPZSA-N -1 0 347.411 3.751 20 0 EHADRM C/C(=C/c1ccccc1Cl)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000761690790 978714767 /nfs/dbraw/zinc/71/47/67/978714767.db2.gz SQKOXSPTKWIDEX-XFXZXTDPSA-N -1 0 329.783 3.758 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000766844664 978726952 /nfs/dbraw/zinc/72/69/52/978726952.db2.gz ZSDFLGGPAHCEKH-ZDUSSCGKSA-N -1 0 341.432 3.596 20 0 EHADRM CCCCC[C@H](C)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000766972146 978730861 /nfs/dbraw/zinc/73/08/61/978730861.db2.gz PHGCEPPYAQVNPT-KSSFIOAISA-N -1 0 344.455 3.886 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(OCC2CCCCC2)cc1)C1CC1 ZINC000767076818 978733656 /nfs/dbraw/zinc/73/36/56/978733656.db2.gz ZRFSWDMGAPQZPM-SFHVURJKSA-N -1 0 345.439 3.629 20 0 EHADRM CC(C)(C)c1ncc(/C=C\C(=O)Nc2ccc(F)c(C(=O)[O-])c2)s1 ZINC000767095463 978734478 /nfs/dbraw/zinc/73/44/78/978734478.db2.gz KYCOPNVWPSWTCX-ALCCZGGFSA-N -1 0 348.399 3.930 20 0 EHADRM C/C(=C\C(=O)Nc1ccc(OCC(=O)[O-])cc1C)c1ccc(F)cc1 ZINC000767126371 978735330 /nfs/dbraw/zinc/73/53/30/978735330.db2.gz GBYRICWIUNPLNP-ZRDIBKRKSA-N -1 0 343.354 3.640 20 0 EHADRM Cc1ccccc1O[C@H](C)CNC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811819226 978862983 /nfs/dbraw/zinc/86/29/83/978862983.db2.gz KZQKAFSOKRYETE-GFCCVEGCSA-N -1 0 347.798 3.544 20 0 EHADRM CC(C)CSCCCNC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811823797 978868321 /nfs/dbraw/zinc/86/83/21/978868321.db2.gz WURITXJPAVDNOR-UHFFFAOYSA-N -1 0 329.849 3.547 20 0 EHADRM O=C([O-])CSCCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000813768024 978870977 /nfs/dbraw/zinc/87/09/77/978870977.db2.gz VKEWRWLOUWYTPR-UHFFFAOYSA-N -1 0 331.393 3.625 20 0 EHADRM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000826538798 978946466 /nfs/dbraw/zinc/94/64/66/978946466.db2.gz KMRAVHPWOQZFIL-SLWQEBJJSA-N -1 0 343.379 3.609 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(CNC(=O)[O-])cc1)[C@@H](C)c1ccccc1 ZINC000827672619 978963445 /nfs/dbraw/zinc/96/34/45/978963445.db2.gz VKRNKAHWTHNAJD-ZIAGYGMSSA-N -1 0 341.411 3.768 20 0 EHADRM C[C@@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)C1CC(C)C1 ZINC000828156200 978971648 /nfs/dbraw/zinc/97/16/48/978971648.db2.gz GCLOYNLGXAZVOO-OWYJLGKBSA-N -1 0 342.395 3.509 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc3c(c2)oc2ccccc23)C[C@H]1C(=O)[O-] ZINC000828379332 978980989 /nfs/dbraw/zinc/98/09/89/978980989.db2.gz XZFFQVRNTXCISQ-XHDPSFHLSA-N -1 0 338.363 3.770 20 0 EHADRM CC[C@@H](C)n1ncc(NCc2ccccc2O[C@@H](C)C(=O)[O-])c1C ZINC001595027450 979143744 /nfs/dbraw/zinc/14/37/44/979143744.db2.gz VTEDWDGFOMJGQZ-OCCSQVGLSA-N -1 0 331.416 3.627 20 0 EHADRM CC[C@H](CC(=O)N(CCc1ccccc1)CC(=O)[O-])c1ccccc1 ZINC001595029551 979159619 /nfs/dbraw/zinc/15/96/19/979159619.db2.gz CQCVSXCXZHMUSO-GOSISDBHSA-N -1 0 339.435 3.726 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N2CCC(c3ccc(F)cc3)CC2)c1 ZINC000833330643 979162457 /nfs/dbraw/zinc/16/24/57/979162457.db2.gz YYNULZKPSYTCBY-UHFFFAOYSA-N -1 0 342.370 3.935 20 0 EHADRM CC[C@H](CC(=O)N(CC(C)C)C(C)(C)C(=O)[O-])c1ccc(OC)cc1 ZINC001595029864 979162821 /nfs/dbraw/zinc/16/28/21/979162821.db2.gz IJHKFKDGBKGHNX-OAHLLOKOSA-N -1 0 349.471 3.927 20 0 EHADRM CC[C@@H](CC(=O)N[C@@](C)(C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC001595033035 979171966 /nfs/dbraw/zinc/17/19/66/979171966.db2.gz AXXNUOMICJNBHW-VBKZILBWSA-N -1 0 343.398 3.826 20 0 EHADRM CC[C@H](CC(=O)N[C@](C)(C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC001595033036 979172173 /nfs/dbraw/zinc/17/21/73/979172173.db2.gz AXXNUOMICJNBHW-VLIAUNLRSA-N -1 0 343.398 3.826 20 0 EHADRM CC[C@@H](CC(C)C)C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001595035747 979187397 /nfs/dbraw/zinc/18/73/97/979187397.db2.gz JNGRMVRMPOMQRT-AWEZNQCLSA-N -1 0 332.444 3.996 20 0 EHADRM CC[C@H](CC(=O)Nc1ccc(C(=O)[O-])c(O)c1)c1ccc(OC)cc1 ZINC001595037136 979203330 /nfs/dbraw/zinc/20/33/30/979203330.db2.gz PZYFGIUFKQHEDX-GFCCVEGCSA-N -1 0 343.379 3.621 20 0 EHADRM CC[C@H](CC(F)(F)F)C(=O)N[C@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC001595038264 979207824 /nfs/dbraw/zinc/20/78/24/979207824.db2.gz FNVUQQXKMJKFET-MEBBXXQBSA-N -1 0 349.324 3.610 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@@H](C)Cc2ccc(F)cc2)cc1 ZINC000840944707 979284257 /nfs/dbraw/zinc/28/42/57/979284257.db2.gz ROJQNOXRMLGJCP-QWHCGFSZSA-N -1 0 329.371 3.831 20 0 EHADRM CCC(CC)(CCOC(=O)c1cnc(-c2cccnc2)s1)C(=O)[O-] ZINC001595059889 979311754 /nfs/dbraw/zinc/31/17/54/979311754.db2.gz UWEVUOAHAXGBLW-UHFFFAOYSA-N -1 0 348.424 3.643 20 0 EHADRM C[C@H](Cc1ccc(NC[C@@H]2CCOc3ccccc32)cc1)C(=O)[O-] ZINC000841812520 979314013 /nfs/dbraw/zinc/31/40/13/979314013.db2.gz WKRIAFDJVHAMQN-ZBFHGGJFSA-N -1 0 325.408 3.928 20 0 EHADRM CCC(CC)(C[NH2+]Cc1ccc(-c2ccccc2C(=O)[O-])o1)C(=O)[O-] ZINC001595079412 979363381 /nfs/dbraw/zinc/36/33/81/979363381.db2.gz LEOWINDTDIUNLI-UHFFFAOYSA-N -1 0 345.395 3.625 20 0 EHADRM CCC(CC)(CNc1nc(C(F)(F)F)nc2ccccc21)C(=O)[O-] ZINC001595084775 979375951 /nfs/dbraw/zinc/37/59/51/979375951.db2.gz YATIESUNOGTQAD-UHFFFAOYSA-N -1 0 341.333 3.952 20 0 EHADRM C[C@H](COCC(=O)Oc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC001592768804 979377500 /nfs/dbraw/zinc/37/75/00/979377500.db2.gz HKHWOIUZPOIRJR-GFCCVEGCSA-N -1 0 348.782 3.764 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1c1ncnc2sc(-c3ccccc3)cc21 ZINC000844218398 979381977 /nfs/dbraw/zinc/38/19/77/979381977.db2.gz NINDRDMQJZJYHW-DGCLKSJQSA-N -1 0 339.420 3.658 20 0 EHADRM CCC(CC)(NC(=O)CCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC001595090562 979382795 /nfs/dbraw/zinc/38/27/95/979382795.db2.gz HKLLSOFYZCBCSK-UHFFFAOYSA-N -1 0 332.227 3.686 20 0 EHADRM O=C([O-])CCCC(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000844250122 979393923 /nfs/dbraw/zinc/39/39/23/979393923.db2.gz HXQTUQQQUPDRED-MRXNPFEDSA-N -1 0 335.450 3.539 20 0 EHADRM O=C(/C=C/C1CCCC1)NCc1c2ccccc2sc1C(=O)[O-] ZINC000846115192 979404697 /nfs/dbraw/zinc/40/46/97/979404697.db2.gz ICWFVCIZIHVXPN-MDZDMXLPSA-N -1 0 329.421 3.962 20 0 EHADRM CCC(CC)[C@H](NC(=O)c1csc(C(=O)[O-])n1)c1ccccc1 ZINC001595109585 979443651 /nfs/dbraw/zinc/44/36/51/979443651.db2.gz JCMHPGQRLAZTLJ-AWEZNQCLSA-N -1 0 332.425 3.749 20 0 EHADRM COc1ccc([C@H](NC(=O)c2ccc(/C=C\C(=O)[O-])o2)C(C)C)cc1 ZINC000851593069 979502992 /nfs/dbraw/zinc/50/29/92/979502992.db2.gz LBSJAHCWWRYXDN-LECLMCCNSA-N -1 0 343.379 3.513 20 0 EHADRM CC[C@@H](CCc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001595129644 979535321 /nfs/dbraw/zinc/53/53/21/979535321.db2.gz NBRLJVZYFZKFSC-INIZCTEOSA-N -1 0 326.396 3.918 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000851619657 979548319 /nfs/dbraw/zinc/54/83/19/979548319.db2.gz WMDKRVPFTCIJLE-NSKSQELHSA-N -1 0 345.414 3.721 20 0 EHADRM O=C([O-])C[C@H](CNC(=O)c1sc2ccccc2c1Cl)C1CC1 ZINC000851620904 979551194 /nfs/dbraw/zinc/55/11/94/979551194.db2.gz VRPOCRZAPYEUDV-SNVBAGLBSA-N -1 0 337.828 3.785 20 0 EHADRM CC[C@](CNC(=O)[C@@H](C)[C@@H](C)C(C)(C)C)(C(=O)[O-])c1ccccc1 ZINC001595135611 979577848 /nfs/dbraw/zinc/57/78/48/979577848.db2.gz XMONPJIMXYEAMJ-BXTJHSDWSA-N -1 0 333.472 3.854 20 0 EHADRM CC[C@H](CNC(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC001595139203 979589074 /nfs/dbraw/zinc/58/90/74/979589074.db2.gz FCIVUCGMWDFIAL-VPUINMBXSA-N -1 0 347.411 3.794 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)Nc1nccnc1C(=O)[O-] ZINC001592839023 979594032 /nfs/dbraw/zinc/59/40/32/979594032.db2.gz JYBCXXJIAFFFCX-MRVPVSSYSA-N -1 0 326.183 3.525 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)Nc1cncc(C(=O)[O-])n1 ZINC001592840405 979606283 /nfs/dbraw/zinc/60/62/83/979606283.db2.gz ZXACPEDDMMSMHE-MRVPVSSYSA-N -1 0 326.183 3.525 20 0 EHADRM CC[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1)Oc1cccc(F)c1 ZINC001595153344 979652676 /nfs/dbraw/zinc/65/26/76/979652676.db2.gz WIONZANMQIRONO-HNNXBMFYSA-N -1 0 346.358 3.503 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N(C)[C@@H](C)c2ccccn2)cc1)C(=O)[O-] ZINC001592858725 979675920 /nfs/dbraw/zinc/67/59/20/979675920.db2.gz KJLCYLGLMNCCBM-KGLIPLIRSA-N -1 0 341.411 3.570 20 0 EHADRM CC[C@@](CNC(=O)c1cc2ccccc2o1)(C(=O)[O-])c1ccccc1 ZINC001595160301 979684778 /nfs/dbraw/zinc/68/47/78/979684778.db2.gz HGYFEWVMUKXWRX-FQEVSTJZSA-N -1 0 337.375 3.595 20 0 EHADRM Cc1ccc([C@@H](NC(=O)/C=C\c2cc(C(=O)[O-])co2)C2CC2)cc1 ZINC000864101848 979685950 /nfs/dbraw/zinc/68/59/50/979685950.db2.gz RQYPGPHGAHNFTL-CNZFZVQHSA-N -1 0 325.364 3.567 20 0 EHADRM CC[C@](CNC(=O)c1ccc(C)c(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC001595160636 979686562 /nfs/dbraw/zinc/68/65/62/979686562.db2.gz OHWMVRHCIYYJSE-LJQANCHMSA-N -1 0 345.826 3.811 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)/C=C\c2cc(C(=O)[O-])co2)C1 ZINC000864111683 979702590 /nfs/dbraw/zinc/70/25/90/979702590.db2.gz LJFHONWBJJLJEI-AZJURWTESA-N -1 0 339.391 3.704 20 0 EHADRM CC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000864113963 979706035 /nfs/dbraw/zinc/70/60/35/979706035.db2.gz YPARUJBODJLMJR-QGZVFWFLSA-N -1 0 325.408 3.787 20 0 EHADRM COCc1ccc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1F ZINC000864122540 979719619 /nfs/dbraw/zinc/71/96/19/979719619.db2.gz RWBOPYOQFNYTRW-UHFFFAOYSA-N -1 0 345.370 3.587 20 0 EHADRM CSCCCCCCC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000864129971 979731081 /nfs/dbraw/zinc/73/10/81/979731081.db2.gz KAMRCFWXJOBNAK-INIZCTEOSA-N -1 0 335.469 3.511 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2ccc3scnc3c2)cc1)C(=O)[O-] ZINC001592873542 979735837 /nfs/dbraw/zinc/73/58/37/979735837.db2.gz VUBFPUYIJLSMID-LLVKDONJSA-N -1 0 340.404 3.812 20 0 EHADRM COc1cc(C)cc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1C ZINC000864135411 979737566 /nfs/dbraw/zinc/73/75/66/979737566.db2.gz LVLMULGESHUUAC-ZDUSSCGKSA-N -1 0 341.407 3.828 20 0 EHADRM C[C@H](CCc1ccc(F)cc1)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000864137656 979740576 /nfs/dbraw/zinc/74/05/76/979740576.db2.gz FTOYYKXBPOJTAZ-CXAGYDPISA-N -1 0 341.382 3.609 20 0 EHADRM CCOc1ccccc1[C@@H](CC)NC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000864142983 979747842 /nfs/dbraw/zinc/74/78/42/979747842.db2.gz XXTFMONNKIEWNZ-ZBTGYSDGSA-N -1 0 343.379 3.657 20 0 EHADRM C[C@@H](Cc1ccc(NCc2noc(-c3ccccc3)n2)cc1)C(=O)[O-] ZINC001592881967 979750724 /nfs/dbraw/zinc/75/07/24/979750724.db2.gz CUVJWNASIKHDMS-ZDUSSCGKSA-N -1 0 337.379 3.612 20 0 EHADRM CC[C@H](OCCNC(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccccc1 ZINC000864150843 979761394 /nfs/dbraw/zinc/76/13/94/979761394.db2.gz JBDDQBCJSKUOFZ-SFHVURJKSA-N -1 0 341.407 3.591 20 0 EHADRM C[C@H](Cc1ccc(Nc2ncccc2Br)cc1)C(=O)[O-] ZINC001592884020 979764785 /nfs/dbraw/zinc/76/47/85/979764785.db2.gz YQZSWAQMLWACJU-SNVBAGLBSA-N -1 0 335.201 3.851 20 0 EHADRM CC(C)CN(Cc1ccccc1)C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000864158199 979770186 /nfs/dbraw/zinc/77/01/86/979770186.db2.gz DMSBXZLJKYQINP-CMDGGOBGSA-N -1 0 327.380 3.676 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-] ZINC001592885944 979771811 /nfs/dbraw/zinc/77/18/11/979771811.db2.gz UUOLAEONQWPQSP-CABCVRRESA-N -1 0 343.398 3.506 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC001592890340 979776968 /nfs/dbraw/zinc/77/69/68/979776968.db2.gz GLFDGSGDMRRFLJ-MLGOLLRUSA-N -1 0 337.847 3.668 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2OC)cc1 ZINC000471123309 1014603153 /nfs/dbraw/zinc/60/31/53/1014603153.db2.gz RHKGKVNIBOOELV-UHFFFAOYSA-N -1 0 341.379 3.727 20 0 EHADRM C[C@H](Cc1ccccn1)NC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001592898666 979808845 /nfs/dbraw/zinc/80/88/45/979808845.db2.gz UBWYZZNSZFLXGM-CYBMUJFWSA-N -1 0 349.390 3.686 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000864177526 979822515 /nfs/dbraw/zinc/82/25/15/979822515.db2.gz OFEKCIVVDLEADS-MIESEQMUSA-N -1 0 339.391 3.784 20 0 EHADRM CC[C@@H](COC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1)C(=O)[O-] ZINC001595184175 979826989 /nfs/dbraw/zinc/82/69/89/979826989.db2.gz WZHJTUBPLHMJRK-JTQLQIEISA-N -1 0 332.318 3.794 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NC[C@]2(Cc3ccccc3)C=CCCC2)C1 ZINC000864189385 979839830 /nfs/dbraw/zinc/83/98/30/979839830.db2.gz OXTFCPRVMHDGAM-WAOWUJCRSA-N -1 0 341.451 3.573 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)CCc1c(Cl)cccc1Cl)C1CC1 ZINC000864201811 979880129 /nfs/dbraw/zinc/88/01/29/979880129.db2.gz ZBXTXRDEUUETRE-INIZCTEOSA-N -1 0 344.238 3.686 20 0 EHADRM C[C@@H](Cc1coc2ccccc12)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001592912906 979882119 /nfs/dbraw/zinc/88/21/19/979882119.db2.gz OUWWCNNBLHLNKC-ZDUSSCGKSA-N -1 0 349.390 3.910 20 0 EHADRM CC(C)(CC(F)(F)F)C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000864227016 979914727 /nfs/dbraw/zinc/91/47/27/979914727.db2.gz UBRYIIGQMNHIMB-SNVBAGLBSA-N -1 0 329.318 3.570 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)[C@H](C)Cc2ccc(F)cc2)c1 ZINC000864229994 979925944 /nfs/dbraw/zinc/92/59/44/979925944.db2.gz POWAELPTSIHRBQ-RDTXWAMCSA-N -1 0 343.398 3.645 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001595205169 979979087 /nfs/dbraw/zinc/97/90/87/979979087.db2.gz RJOHBSJBKZGIPQ-ROUUACIJSA-N -1 0 344.455 3.521 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC001595211128 979988878 /nfs/dbraw/zinc/98/88/78/979988878.db2.gz PYQGBCZLRKCWMX-MRXNPFEDSA-N -1 0 337.419 3.851 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC001595211129 979989236 /nfs/dbraw/zinc/98/92/36/979989236.db2.gz PZUXTPCIDSNUGX-CRAIPNDOSA-N -1 0 343.398 3.645 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC001595211354 979991846 /nfs/dbraw/zinc/99/18/46/979991846.db2.gz SXQAUBNWEMUSBS-CVEARBPZSA-N -1 0 345.464 3.957 20 0 EHADRM CC(F)(F)c1ccc(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc1 ZINC001592943102 980012142 /nfs/dbraw/zinc/01/21/42/980012142.db2.gz BEMYJUBUFTUVSU-RDTXWAMCSA-N -1 0 337.366 3.515 20 0 EHADRM CC(F)(F)c1cccc(NC(=O)NC[C@H](C(=O)[O-])c2ccccc2)c1 ZINC001592945278 980025312 /nfs/dbraw/zinc/02/53/12/980025312.db2.gz WNHUMIXUIYNQQL-HNNXBMFYSA-N -1 0 348.349 3.788 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC001595219399 980039661 /nfs/dbraw/zinc/03/96/61/980039661.db2.gz OOBVHNMRMWPJJM-HNNXBMFYSA-N -1 0 344.382 3.936 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)Nc1cc(C)c(C(=O)[O-])cn1 ZINC001595219787 980042063 /nfs/dbraw/zinc/04/20/63/980042063.db2.gz RNWXESSMMMEQHK-AWEZNQCLSA-N -1 0 326.396 3.604 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1sccc1C(F)F)c1ccccc1 ZINC000872711792 980091988 /nfs/dbraw/zinc/09/19/88/980091988.db2.gz BJHOMOJSUMQRLE-CABZTGNLSA-N -1 0 339.363 3.878 20 0 EHADRM C[C@H](NC(=O)C1(C)CCCCCC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001592994152 980200208 /nfs/dbraw/zinc/20/02/08/980200208.db2.gz QSBNRHODWLGHID-RDJZCZTQSA-N -1 0 331.456 3.795 20 0 EHADRM CC[C@@H](NC(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1)c1ccc(Cl)s1 ZINC001595249752 980204984 /nfs/dbraw/zinc/20/49/84/980204984.db2.gz NCHUFCSVACKYRC-WMFXKJRFSA-N -1 0 344.864 3.605 20 0 EHADRM CC[C@@H](NC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)c1ccncc1 ZINC001595252156 980215817 /nfs/dbraw/zinc/21/58/17/980215817.db2.gz GLSVQBUAKIXEGA-OAHLLOKOSA-N -1 0 338.367 3.534 20 0 EHADRM C[C@@](NC(=O)[C@@H]1CC12CCC2)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593003037 980217132 /nfs/dbraw/zinc/21/71/32/980217132.db2.gz OPPBRHKXLIUDNA-BONVTDFDSA-N -1 0 342.222 3.600 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC001595255668 980235756 /nfs/dbraw/zinc/23/57/56/980235756.db2.gz VGWZSEIBPCOEKB-GFCCVEGCSA-N -1 0 344.798 3.503 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F)[C@H]1CC1(C)C ZINC001595257318 980245174 /nfs/dbraw/zinc/24/51/74/980245174.db2.gz RBMMILILUZHDBA-PSASIEDQSA-N -1 0 326.343 3.609 20 0 EHADRM CC[C@@](NC(=O)OC1CCCC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595257893 980249533 /nfs/dbraw/zinc/24/95/33/980249533.db2.gz JEDWYLITHYIYFK-INIZCTEOSA-N -1 0 325.792 3.699 20 0 EHADRM O=C([O-])CCCCCNc1nc(C(F)F)nc2ccc(F)cc21 ZINC000900951466 980254197 /nfs/dbraw/zinc/25/41/97/980254197.db2.gz UAQMSOSYZFBYPX-UHFFFAOYSA-N -1 0 327.306 3.763 20 0 EHADRM C[C@](NC(=O)CC1CCCC1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593014409 980254298 /nfs/dbraw/zinc/25/42/98/980254298.db2.gz ISAFPXLKVAPSKW-MRXNPFEDSA-N -1 0 344.238 3.990 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)[C@H]1CCCO1 ZINC001595258780 980258298 /nfs/dbraw/zinc/25/82/98/980258298.db2.gz ZYEMOVVZUREVNK-CHWSQXEVSA-N -1 0 348.424 3.679 20 0 EHADRM O=C([O-])/C=C/c1ccc(CN(Cc2cccs2)C[C@@H]2CCCO2)o1 ZINC000901417965 980265103 /nfs/dbraw/zinc/26/51/03/980265103.db2.gz XOJXXJZMFTTYAG-KIUWMYQTSA-N -1 0 347.436 3.620 20 0 EHADRM CC[C@](NC(=O)c1cccc2c1CCCC2)(C(=O)[O-])c1ccccc1 ZINC001595270269 980286064 /nfs/dbraw/zinc/28/60/64/980286064.db2.gz DVDZIFKRTVZTBP-OAQYLSRUSA-N -1 0 337.419 3.685 20 0 EHADRM CC[C@](NCc1ncccc1Cl)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595306054 980454496 /nfs/dbraw/zinc/45/44/96/980454496.db2.gz REPNWZGGWCBACB-MRXNPFEDSA-N -1 0 339.222 3.868 20 0 EHADRM CC[C@H](Nc1cccc2c1CCN2C(C)=O)c1ccc(C(=O)[O-])cc1 ZINC001595317890 980496684 /nfs/dbraw/zinc/49/66/84/980496684.db2.gz CQMBZPWPXABDDK-KRWDZBQOSA-N -1 0 338.407 3.857 20 0 EHADRM CCN(CC)c1ncc(CNc2cccc([C@@H](C)C(=O)[O-])c2)s1 ZINC000901817438 980537616 /nfs/dbraw/zinc/53/76/16/980537616.db2.gz QTZIKAQGBDGICU-GFCCVEGCSA-N -1 0 333.457 3.790 20 0 EHADRM Cc1cc([C@H](NCc2ncc(C(C)(C)C)s2)C(=O)[O-])ccc1F ZINC000901841103 980559977 /nfs/dbraw/zinc/55/99/77/980559977.db2.gz BJRORCTVUYFUQL-HNNXBMFYSA-N -1 0 336.432 3.804 20 0 EHADRM CC[C@H](OC(=O)c1cc(C(=O)[O-])ccn1)c1cccc(Cl)c1F ZINC001595344555 980627866 /nfs/dbraw/zinc/62/78/66/980627866.db2.gz LXBUDIJDFALJBS-ZDUSSCGKSA-N -1 0 337.734 3.880 20 0 EHADRM CC[C@H](OC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)c1ccc(C(C)(C)C)cc1 ZINC001595346059 980634422 /nfs/dbraw/zinc/63/44/22/980634422.db2.gz WBFUPXGMKXOVEJ-VJUNAUMWSA-N -1 0 348.439 3.857 20 0 EHADRM CC[C@@H](OC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)C(C)(C)c1ccccc1 ZINC001595348460 980647223 /nfs/dbraw/zinc/64/72/23/980647223.db2.gz XFRNILLULRJBRP-GVDBMIGSSA-N -1 0 348.439 3.698 20 0 EHADRM CC[C@H](OC(=O)c1ccc(-c2nc3ccccc3s2)o1)C(=O)[O-] ZINC001595349043 980650982 /nfs/dbraw/zinc/65/09/82/980650982.db2.gz PJXPOCUHHGPTKV-JTQLQIEISA-N -1 0 331.349 3.576 20 0 EHADRM CC[C@H](OC(=O)c1cccnc1SCc1ccc(F)cc1)C(=O)[O-] ZINC001595353614 980683819 /nfs/dbraw/zinc/68/38/19/980683819.db2.gz SYSPEHYCHXSVAG-AWEZNQCLSA-N -1 0 349.383 3.533 20 0 EHADRM C[C@@H]1CCN(Cc2ccc(Sc3ccccn3)o2)[C@H](C(=O)[O-])C1 ZINC000902016982 980694171 /nfs/dbraw/zinc/69/41/71/980694171.db2.gz NRGCSYYMMRPNQK-OCCSQVGLSA-N -1 0 332.425 3.511 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1 ZINC001595355236 980700603 /nfs/dbraw/zinc/70/06/03/980700603.db2.gz SHDLCMDUNDBNGL-GMKVZWAMSA-N -1 0 339.476 3.510 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1 ZINC001595355237 980700631 /nfs/dbraw/zinc/70/06/31/980700631.db2.gz SHDLCMDUNDBNGL-MZZPOWALSA-N -1 0 339.476 3.510 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001595356672 980714341 /nfs/dbraw/zinc/71/43/41/980714341.db2.gz MWANMXFLHBHVTL-WMZOPIPTSA-N -1 0 347.455 3.550 20 0 EHADRM CC(C)(CCNc1cccc(-c2nnc3n2CCCCC3)c1)C(=O)[O-] ZINC000902062540 980717121 /nfs/dbraw/zinc/71/71/21/980717121.db2.gz RFEFLJQVKFVFHJ-UHFFFAOYSA-N -1 0 342.443 3.584 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N(CC(=O)[O-])C1CCCC1 ZINC001595356998 980718214 /nfs/dbraw/zinc/71/82/14/980718214.db2.gz QBVNXURKRPFCTN-QGZVFWFLSA-N -1 0 347.455 3.823 20 0 EHADRM CC(C)(CC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)CC(F)(F)F ZINC000902069615 980719575 /nfs/dbraw/zinc/71/95/75/980719575.db2.gz MPGNVUCDTFBZFX-ZDUSSCGKSA-N -1 0 343.345 3.566 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)N1[C@H](C)CC(C(=O)[O-])C[C@H]1C ZINC001595358903 980736311 /nfs/dbraw/zinc/73/63/11/980736311.db2.gz UPUKABQOCNGMHQ-IOASZLSFSA-N -1 0 335.469 3.658 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@@H]1CC2CCC1CC2 ZINC001595361983 980767293 /nfs/dbraw/zinc/76/72/93/980767293.db2.gz STEZIUOWAKWKAQ-UQVLAFNGSA-N -1 0 329.440 3.877 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)/C=C(\C)c1ccco1 ZINC001595362152 980768477 /nfs/dbraw/zinc/76/84/77/980768477.db2.gz XQWBBSMYHMKLIB-GRNBYLDVSA-N -1 0 327.380 3.747 20 0 EHADRM CC[C@H](c1nnc(-c2cccc(OCC(=O)[O-])c2)o1)c1ccccc1 ZINC001595364475 980794570 /nfs/dbraw/zinc/79/45/70/980794570.db2.gz SLCLHOSBCSDYGO-INIZCTEOSA-N -1 0 338.363 3.742 20 0 EHADRM CC[C@@H](c1nnc(-c2cccc(OCC(=O)[O-])c2)o1)c1ccccc1 ZINC001595364476 980794635 /nfs/dbraw/zinc/79/46/35/980794635.db2.gz SLCLHOSBCSDYGO-MRXNPFEDSA-N -1 0 338.363 3.742 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC)C(=O)c1cccc(CC(=O)[O-])c1 ZINC001595364759 980797666 /nfs/dbraw/zinc/79/76/66/980797666.db2.gz XQDBGWVYRABHNS-SFHVURJKSA-N -1 0 325.408 3.927 20 0 EHADRM Cc1ccc(N[C@@H]2CCC[C@@H](CCCC(=O)[O-])C2)cc1C(=O)N(C)C ZINC000902337790 980837955 /nfs/dbraw/zinc/83/79/55/980837955.db2.gz MJFJOXSCVTVCPP-JKSUJKDBSA-N -1 0 346.471 3.922 20 0 EHADRM CCc1oc(CNCc2c(F)cccc2OC(F)F)cc1C(=O)[O-] ZINC000902340839 980840053 /nfs/dbraw/zinc/84/00/53/980840053.db2.gz QSVCFBMYMWTKIL-UHFFFAOYSA-N -1 0 343.301 3.571 20 0 EHADRM C[C@H](CC(C)(C)CC(=O)[O-])N[C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000902362159 980853171 /nfs/dbraw/zinc/85/31/71/980853171.db2.gz AELWAAQOFLARKN-KGLIPLIRSA-N -1 0 345.443 3.591 20 0 EHADRM C[C@H](Nc1cccc(NC(=O)C2CCCCC2)c1)[C@H]1C[C@H]1C(=O)[O-] ZINC000902368437 980856571 /nfs/dbraw/zinc/85/65/71/980856571.db2.gz QWJCKJHOTLUDDF-JCURWCKSSA-N -1 0 330.428 3.727 20 0 EHADRM CCC1(CC)CN(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c2ccccc21 ZINC001595375464 980896234 /nfs/dbraw/zinc/89/62/34/980896234.db2.gz LUHGYYZCNOELKO-LSDHHAIUSA-N -1 0 329.440 3.982 20 0 EHADRM CCC1(CC)CN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c2ccccc21 ZINC001595375463 980896451 /nfs/dbraw/zinc/89/64/51/980896451.db2.gz LUHGYYZCNOELKO-HUUCEWRRSA-N -1 0 329.440 3.982 20 0 EHADRM CC[C@H](CNC(=O)c1sc2cccc(F)c2c1Cl)C(=O)[O-] ZINC000902843631 980945604 /nfs/dbraw/zinc/94/56/04/980945604.db2.gz VUBXTYPWEIEHRG-SSDOTTSWSA-N -1 0 329.780 3.534 20 0 EHADRM CCC1(c2ccc(Cl)cc2)CCN(c2cc(C(=O)[O-])ncn2)CC1 ZINC001595397157 980963068 /nfs/dbraw/zinc/96/30/68/980963068.db2.gz DFWYRDPIEKWFRN-UHFFFAOYSA-N -1 0 345.830 3.776 20 0 EHADRM CCC1=C(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CCCO1 ZINC001595399570 980972134 /nfs/dbraw/zinc/97/21/34/980972134.db2.gz ROHPKZZLJNWFRN-UHFFFAOYSA-N -1 0 325.364 3.951 20 0 EHADRM CC[C@H]1CCC[C@@H](NC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)C1 ZINC001595431732 981054514 /nfs/dbraw/zinc/05/45/14/981054514.db2.gz DWHPSVNETSNPHK-NWDGAFQWSA-N -1 0 329.400 3.956 20 0 EHADRM CSc1ccc(NC(=O)C[C@@H]2CCC(C)(C)CO2)cc1C(=O)[O-] ZINC000905043700 981086664 /nfs/dbraw/zinc/08/66/64/981086664.db2.gz HWJPJLGLKLIMRH-LBPRGKRZSA-N -1 0 337.441 3.641 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)N[C@@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC001595448102 981097982 /nfs/dbraw/zinc/09/79/82/981097982.db2.gz MNGCDSPLMGAMTH-HHXXYDBFSA-N -1 0 347.455 3.531 20 0 EHADRM CC[C@H]1CCC[C@@H]1NC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001595459239 981136978 /nfs/dbraw/zinc/13/69/78/981136978.db2.gz XYUGOTSXRQCHTR-LRDDRELGSA-N -1 0 344.411 3.551 20 0 EHADRM O=C([O-])c1cc2cccnc2c(N[C@H]2CCCC23CCOCC3)c1 ZINC000905761750 981146171 /nfs/dbraw/zinc/14/61/71/981146171.db2.gz UGVUKPDWWMGJQN-INIZCTEOSA-N -1 0 326.396 3.694 20 0 EHADRM CC[C@H]1CCc2nc(NC(=O)c3cc(C)c(C(=O)[O-])o3)sc2C1 ZINC001595472307 981178130 /nfs/dbraw/zinc/17/81/30/981178130.db2.gz UCVYUAXMUMHIEZ-VIFPVBQESA-N -1 0 334.397 3.510 20 0 EHADRM CC[C@H]1CN(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)CCS1 ZINC001595474819 981189102 /nfs/dbraw/zinc/18/91/02/981189102.db2.gz JNNPDAITVGAGKP-VIFPVBQESA-N -1 0 346.811 3.537 20 0 EHADRM O=C([O-])c1ccc(CNCc2c(Cl)cccc2OC(F)F)cc1 ZINC000683170371 1014716584 /nfs/dbraw/zinc/71/65/84/1014716584.db2.gz NPKFQYNQGJRVSF-UHFFFAOYSA-N -1 0 341.741 3.929 20 0 EHADRM Cc1c(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)cccc1-c1ccccn1 ZINC000908028124 981254139 /nfs/dbraw/zinc/25/41/39/981254139.db2.gz MWQSPJPAWMYXRC-QGZVFWFLSA-N -1 0 340.423 3.676 20 0 EHADRM COc1ccc2c(c1)[C@H](C(=O)Nc1cc(C(C)=O)ccc1[O-])CCC2 ZINC000654985017 1014719148 /nfs/dbraw/zinc/71/91/48/1014719148.db2.gz NEGPUQKOKPIYOQ-MRXNPFEDSA-N -1 0 339.391 3.662 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@H](c1ncccc1C)C(C)(C)C ZINC000908120205 981266642 /nfs/dbraw/zinc/26/66/42/981266642.db2.gz QKGCZMVCMJEYMS-OAHLLOKOSA-N -1 0 330.384 3.507 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC000908277922 981294259 /nfs/dbraw/zinc/29/42/59/981294259.db2.gz NSJDINKDLXNEDR-GOEBONIOSA-N -1 0 347.455 3.586 20 0 EHADRM CC/C=C(/F)C(=O)N(C)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001595508815 981298063 /nfs/dbraw/zinc/29/80/63/981298063.db2.gz XVXWESPQSBXCGZ-DJTWPOEFSA-N -1 0 334.174 3.841 20 0 EHADRM CC/C=C/[C@H](OC(=O)CCc1nc(C)c(-c2ccccc2)o1)C(=O)[O-] ZINC001595513232 981302118 /nfs/dbraw/zinc/30/21/18/981302118.db2.gz DRYXBULCUCJHTR-SHBKCBRUSA-N -1 0 343.379 3.545 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000908366215 981308348 /nfs/dbraw/zinc/30/83/48/981308348.db2.gz VSLMUAWWMFXXPR-APWZRJJASA-N -1 0 337.419 3.656 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)CCCc2ccc(C3CC3)cc2)C1 ZINC000908378137 981310938 /nfs/dbraw/zinc/31/09/38/981310938.db2.gz AOKBNKUDEOMVLF-QAPCUYQASA-N -1 0 329.440 3.646 20 0 EHADRM Cc1ccsc1CCCC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000908607326 981328841 /nfs/dbraw/zinc/32/88/41/981328841.db2.gz VEUYITGNMZRCPC-HNNXBMFYSA-N -1 0 349.427 3.851 20 0 EHADRM Cc1c(NCC(C)(C)C)cccc1C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000908679525 981337435 /nfs/dbraw/zinc/33/74/35/981337435.db2.gz XNXAHVCPPAKFQY-UHFFFAOYSA-N -1 0 346.471 3.780 20 0 EHADRM O=C([O-])C12CCC(C(=O)NCc3ccc(Cl)cc3Cl)(CC1)C2 ZINC000908693430 981340159 /nfs/dbraw/zinc/34/01/59/981340159.db2.gz MAVHTSBTABFKSW-UHFFFAOYSA-N -1 0 342.222 3.645 20 0 EHADRM O=C([O-])c1nc(C(=O)Nc2cccc(Oc3ccccc3)c2)cs1 ZINC000908693791 981340464 /nfs/dbraw/zinc/34/04/64/981340464.db2.gz IDWZEOCFUDRLTE-UHFFFAOYSA-N -1 0 340.360 3.886 20 0 EHADRM CC(C)[C@@H](CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2)c1ccccc1 ZINC000908736538 981350267 /nfs/dbraw/zinc/35/02/67/981350267.db2.gz MCJOGHMFCORUSH-MDMXATFFSA-N -1 0 343.467 3.968 20 0 EHADRM O=C([O-])C12CCC(C(=O)NCc3csc4ccccc34)(CC1)CC2 ZINC000908755344 981354718 /nfs/dbraw/zinc/35/47/18/981354718.db2.gz XQMAGHPPMWDNFS-UHFFFAOYSA-N -1 0 343.448 3.943 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1C ZINC000908806757 981366134 /nfs/dbraw/zinc/36/61/34/981366134.db2.gz JYQCGEVCBFTGFB-APMMTJHUSA-N -1 0 329.440 3.906 20 0 EHADRM CCCC(=O)Nc1cccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1C ZINC001595531241 981366444 /nfs/dbraw/zinc/36/64/44/981366444.db2.gz FZBJPORWGLTQIJ-UONOGXRCSA-N -1 0 346.427 3.563 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000908815870 981367238 /nfs/dbraw/zinc/36/72/38/981367238.db2.gz ZQHFFEUZDFNGLO-UHFFFAOYSA-N -1 0 343.379 3.998 20 0 EHADRM CC[C@@H](NC(=O)C12CCC(C(=O)[O-])(CC1)C2)c1ccc(F)cc1F ZINC000908817519 981368033 /nfs/dbraw/zinc/36/80/33/981368033.db2.gz RODOBBVTLWOODY-RWBZWWBESA-N -1 0 337.366 3.567 20 0 EHADRM CSc1cc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])c(C)o1 ZINC000908843388 981375690 /nfs/dbraw/zinc/37/56/90/981375690.db2.gz WFGNSRQCSKDEKZ-LBPRGKRZSA-N -1 0 347.436 3.673 20 0 EHADRM CCC[C@H](C(=O)O[C@@H](C)c1ccc(C(=O)[O-])cc1)c1ccccn1 ZINC001595538736 981393540 /nfs/dbraw/zinc/39/35/40/981393540.db2.gz PBLZXTPAIMGTEW-BBRMVZONSA-N -1 0 327.380 3.968 20 0 EHADRM CCC[C@H]1C[C@H](C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CCO1 ZINC000909109156 981419318 /nfs/dbraw/zinc/41/93/18/981419318.db2.gz YUVOZSTYUZOTDS-PWSUYJOCSA-N -1 0 325.792 3.572 20 0 EHADRM CCC[C@@](C)(NCc1nc(-c2cccc(OC)c2)cs1)C(=O)[O-] ZINC001595559378 981440836 /nfs/dbraw/zinc/44/08/36/981440836.db2.gz LYVQWCYWTNFOKO-QGZVFWFLSA-N -1 0 334.441 3.552 20 0 EHADRM CCC[C@H](C)CC(=O)Oc1ccc(Br)cc1C(=O)[O-] ZINC001595571113 981478121 /nfs/dbraw/zinc/47/81/21/981478121.db2.gz MOWAALXXKVSSBC-VIFPVBQESA-N -1 0 329.190 3.879 20 0 EHADRM O=C([O-])[C@H](NCc1ccc(Cl)cc1F)c1cc(F)ccc1F ZINC000683173292 1014738057 /nfs/dbraw/zinc/73/80/57/1014738057.db2.gz JXTPTWDAJZSBPA-CQSZACIVSA-N -1 0 329.705 3.673 20 0 EHADRM CCC[C@H](C)[C@@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001595574156 981491165 /nfs/dbraw/zinc/49/11/65/981491165.db2.gz VVUZLLLWSIHRJF-WFASDCNBSA-N -1 0 334.416 3.826 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@H]1CCCN1c1ccccc1 ZINC000909513392 981520859 /nfs/dbraw/zinc/52/08/59/981520859.db2.gz OSZONAFHAIRBHG-GOSISDBHSA-N -1 0 338.407 3.609 20 0 EHADRM Cc1cc(CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)ccc1Cl ZINC000909550647 981538900 /nfs/dbraw/zinc/53/89/00/981538900.db2.gz ZCKPHZXBWDCKJE-UHFFFAOYSA-N -1 0 335.831 3.690 20 0 EHADRM CC(C)[C@@H](NC(=O)CCSCC(=O)[O-])c1ccc(Cl)cc1F ZINC000909556895 981541720 /nfs/dbraw/zinc/54/17/20/981541720.db2.gz NIZYQDXRPVZYHH-OAHLLOKOSA-N -1 0 347.839 3.500 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1csc(C2CCCCC2)n1 ZINC000909685102 981571194 /nfs/dbraw/zinc/57/11/94/981571194.db2.gz ZKPADFZQWLSDNP-NFAWXSAZSA-N -1 0 348.468 3.516 20 0 EHADRM Cc1ccccc1NCCC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000909833715 981651653 /nfs/dbraw/zinc/65/16/53/981651653.db2.gz JFWOZAYJIUXWBR-AWEZNQCLSA-N -1 0 326.396 3.624 20 0 EHADRM CCC[C@H]1C[C@H](C(=O)Nc2c(C)c(C(=O)[O-])ccc2Cl)CCO1 ZINC001595619751 981680865 /nfs/dbraw/zinc/68/08/65/981680865.db2.gz NCXWZEWINCXZAV-NEPJUHHUSA-N -1 0 339.819 3.880 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1ccccc1OCc1cccc(Cl)c1 ZINC001594761910 981695348 /nfs/dbraw/zinc/69/53/48/981695348.db2.gz JTEFRTBQJVHHAQ-CQSZACIVSA-N -1 0 347.798 3.968 20 0 EHADRM C[C@@H](C(=O)NC[C@H](CC1CC1)C(=O)[O-])c1ccc2ccccc2c1 ZINC000909881728 981696007 /nfs/dbraw/zinc/69/60/07/981696007.db2.gz QLHXBTPBIWVNNE-ACJLOTCBSA-N -1 0 325.408 3.560 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)Nc1cc(Cl)ccc1OC1CCCC1 ZINC000909921258 981701983 /nfs/dbraw/zinc/70/19/83/981701983.db2.gz ODFOFWIGHBPSGO-JTQLQIEISA-N -1 0 325.792 3.711 20 0 EHADRM O=C([O-])C12CCC(C(=O)NCc3ccc(Cl)c(Cl)c3)(CC1)C2 ZINC000909956635 981711117 /nfs/dbraw/zinc/71/11/17/981711117.db2.gz GYGXJNBWCHURAC-UHFFFAOYSA-N -1 0 342.222 3.645 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)C(F)(F)c1ccc(C)cc1)c1ccccc1 ZINC001594765334 981716602 /nfs/dbraw/zinc/71/66/02/981716602.db2.gz YKNXOTOBCBJJQP-INIZCTEOSA-N -1 0 347.361 3.983 20 0 EHADRM COc1cccc([C@@H](C)CCCC(=O)NCc2ccoc2C(=O)[O-])c1 ZINC000909963623 981716857 /nfs/dbraw/zinc/71/68/57/981716857.db2.gz XXTHIMVCLSGDGA-ZDUSSCGKSA-N -1 0 345.395 3.577 20 0 EHADRM CCCC1CCN([C@@H](C)C(=O)Nc2c(C)csc2C(=O)[O-])CC1 ZINC001595623507 981722112 /nfs/dbraw/zinc/72/21/12/981722112.db2.gz RGGBHANZBXFBNK-LBPRGKRZSA-N -1 0 338.473 3.594 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1cccc(SC)c1)c1ccccc1 ZINC001594771462 981748067 /nfs/dbraw/zinc/74/80/67/981748067.db2.gz ZNCRQLWNZFQGKN-MRXNPFEDSA-N -1 0 329.421 3.919 20 0 EHADRM C/C(=C/C1CCC(C)CC1)C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000910153944 981767758 /nfs/dbraw/zinc/76/77/58/981767758.db2.gz AVNYKHBYNABQGV-DRGCWOTQSA-N -1 0 336.457 3.791 20 0 EHADRM Cc1cc(C(=O)N[C@H](C)c2ncc(C(=O)[O-])s2)c(C)cc1Cl ZINC000910154464 981767874 /nfs/dbraw/zinc/76/78/74/981767874.db2.gz ZZXIMZRMUAYLLO-SECBINFHSA-N -1 0 338.816 3.603 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1 ZINC000910192858 981777727 /nfs/dbraw/zinc/77/77/27/981777727.db2.gz WGPILGRRPDXXSI-LLVKDONJSA-N -1 0 343.345 3.555 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)C[C@@H](C)c1cccc(OC)c1 ZINC001594782790 981792202 /nfs/dbraw/zinc/79/22/02/981792202.db2.gz SQCRHSBQPMLGKN-VLIAUNLRSA-N -1 0 347.455 3.681 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(F)c3ccccc23)[C@H]2CCC[C@@H]21 ZINC000910237301 981802537 /nfs/dbraw/zinc/80/25/37/981802537.db2.gz AMUUSDXGSFXKPZ-KYJSFNMBSA-N -1 0 341.382 3.694 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cccc2ccccc21 ZINC001594791237 981847483 /nfs/dbraw/zinc/84/74/83/981847483.db2.gz HKYLWFKALSQLHL-FQEVSTJZSA-N -1 0 325.408 3.945 20 0 EHADRM CCCC[C@@H](CCC)CNC(=O)NC(C)(C)c1cc(C(=O)[O-])on1 ZINC001595632513 981856706 /nfs/dbraw/zinc/85/67/06/981856706.db2.gz HRODHCQEMBBQDM-GFCCVEGCSA-N -1 0 339.436 3.514 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)N[C@](C)(CC(=O)[O-])C2CC2)c1 ZINC000910316863 981871502 /nfs/dbraw/zinc/87/15/02/981871502.db2.gz IMLVSEXYAOPXBQ-JLTOFOAXSA-N -1 0 347.455 3.729 20 0 EHADRM CCC(CC)(CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2)C(F)(F)F ZINC000910338041 981878753 /nfs/dbraw/zinc/87/87/53/981878753.db2.gz QUIJQJHDMCMZBQ-UHFFFAOYSA-N -1 0 349.393 3.897 20 0 EHADRM CC(C)(CC(=O)N1C[C@H](CC(=O)[O-])c2ccccc21)CC(F)F ZINC000910361526 981892153 /nfs/dbraw/zinc/89/21/53/981892153.db2.gz ZEPVWIBROSEWEJ-NSHDSACASA-N -1 0 325.355 3.663 20 0 EHADRM CCCC[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001595636202 981913857 /nfs/dbraw/zinc/91/38/57/981913857.db2.gz DTGHATNXEISIAL-MISXGVKJSA-N -1 0 344.238 3.857 20 0 EHADRM CCCC[C@@H](NC(=O)c1cc2cccc(Cl)c2s1)C(=O)[O-] ZINC001595636869 981923948 /nfs/dbraw/zinc/92/39/48/981923948.db2.gz XOOBIZFJKLOYDI-LLVKDONJSA-N -1 0 325.817 3.928 20 0 EHADRM CCCC[C@H](NC(=O)c1cccc(NCC(C)(C)C)c1C)C(=O)[O-] ZINC001595637041 981925676 /nfs/dbraw/zinc/92/56/76/981925676.db2.gz LHSFKKIFBTYGIO-INIZCTEOSA-N -1 0 334.460 3.826 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H](OCC1CCCC1)c1ccccc1 ZINC001594816965 981953735 /nfs/dbraw/zinc/95/37/35/981953735.db2.gz LFFJGBSNIRTGEP-ICSRJNTNSA-N -1 0 347.455 3.694 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Cc1c[nH]c2cc(Cl)ccc12)C1CCCC1 ZINC000910570588 981996964 /nfs/dbraw/zinc/99/69/64/981996964.db2.gz YNJZAGOYGDQSCY-HNNXBMFYSA-N -1 0 348.830 3.514 20 0 EHADRM CCCC[C@H](OC(=O)[C@H](C)Cc1cncc2ccccc21)C(=O)[O-] ZINC001595646785 982001344 /nfs/dbraw/zinc/00/13/44/982001344.db2.gz UTCDSIXBZIKZDB-DYVFJYSZSA-N -1 0 329.396 3.600 20 0 EHADRM CCC(C)(CC)NC(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001594829733 982006311 /nfs/dbraw/zinc/00/63/11/982006311.db2.gz BTAHXCUNTSWRPQ-UHFFFAOYSA-N -1 0 343.221 3.848 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1C[C@H]1c1sccc1C ZINC000910620516 982026380 /nfs/dbraw/zinc/02/63/80/982026380.db2.gz NKXYTZWTJDBWSZ-CHWSQXEVSA-N -1 0 345.420 3.896 20 0 EHADRM CCCC[C@@H](S[C@H](C)C(=O)N(C)Cc1cccc(F)c1)C(=O)[O-] ZINC001595651866 982027976 /nfs/dbraw/zinc/02/79/76/982027976.db2.gz LXTKPYRLBLZDNF-IUODEOHRSA-N -1 0 341.448 3.549 20 0 EHADRM CCCC[C@H](S[C@@H](C(=O)N1CCCC[C@H]1C)C(C)C)C(=O)[O-] ZINC001595652767 982037004 /nfs/dbraw/zinc/03/70/04/982037004.db2.gz XLOFGDLEZPWYMN-QLFBSQMISA-N -1 0 329.506 3.789 20 0 EHADRM CCCC[C@H](S[C@@H](C)C(=O)N[C@H](C)c1ccccc1C)C(=O)[O-] ZINC001595652898 982037917 /nfs/dbraw/zinc/03/79/17/982037917.db2.gz YWLZOFIYMXEMBE-YCPHGPKFSA-N -1 0 337.485 3.937 20 0 EHADRM CCCC[C@H](S[C@@H](C)C(=O)N(CC)C1CCCCC1)C(=O)[O-] ZINC001595653022 982039011 /nfs/dbraw/zinc/03/90/11/982039011.db2.gz ZVOYTJRQPJQVIV-ZFWWWQNUSA-N -1 0 329.506 3.933 20 0 EHADRM CC[C@@H](C)n1ncc(NC(=O)c2ccc(C(=O)[O-])s2)c1C1CC1 ZINC000910649781 982041744 /nfs/dbraw/zinc/04/17/44/982041744.db2.gz ZELVSHHYJNYJFX-SECBINFHSA-N -1 0 333.413 3.744 20 0 EHADRM CCCc1c(NC(=O)CC(C)(C)CC(=O)[O-])cnn1-c1ccccc1 ZINC000910650759 982042515 /nfs/dbraw/zinc/04/25/15/982042515.db2.gz MQJSFMPYGMBSRI-UHFFFAOYSA-N -1 0 343.427 3.654 20 0 EHADRM CC[C@@H](C)n1ncc(NC(=O)c2cc(C(=O)[O-])ccc2Cl)c1C ZINC000910658430 982045349 /nfs/dbraw/zinc/04/53/49/982045349.db2.gz KIKKZSJSNCGGPF-SECBINFHSA-N -1 0 335.791 3.766 20 0 EHADRM CCCC[C@H](SCC(=O)Nc1ccccc1OC(F)F)C(=O)[O-] ZINC001595656059 982049068 /nfs/dbraw/zinc/04/90/68/982049068.db2.gz SKDAKCIRWLFBAC-LBPRGKRZSA-N -1 0 347.383 3.603 20 0 EHADRM CCCC[C@@H](SC[C@@H]1CN(C2CCCCC2)C(=O)O1)C(=O)[O-] ZINC001595656401 982052273 /nfs/dbraw/zinc/05/22/73/982052273.db2.gz YAZGTUDUAAKZPP-UONOGXRCSA-N -1 0 329.462 3.517 20 0 EHADRM Cc1ccc(F)c(CC(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)c1 ZINC000910699462 982070081 /nfs/dbraw/zinc/07/00/81/982070081.db2.gz BGPZUDZCZCWOTI-UHFFFAOYSA-N -1 0 336.388 3.593 20 0 EHADRM CC(C)c1sc(NC(=O)[C@@H](C)Cc2ccccc2)nc1C(=O)[O-] ZINC000910700262 982071045 /nfs/dbraw/zinc/07/10/45/982071045.db2.gz VMJIIOBROAIGRL-NSHDSACASA-N -1 0 332.425 3.782 20 0 EHADRM CCCCCC(C)(C)CNC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001595663508 982084987 /nfs/dbraw/zinc/08/49/87/982084987.db2.gz ZDVRKIALIRJGFA-LLVKDONJSA-N -1 0 341.477 3.808 20 0 EHADRM CC[C@@H](C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)c1ccccc1 ZINC000910737187 982098543 /nfs/dbraw/zinc/09/85/43/982098543.db2.gz QGRLIJNMUQDCSX-GFCCVEGCSA-N -1 0 330.409 3.851 20 0 EHADRM Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)c1 ZINC000910739256 982099937 /nfs/dbraw/zinc/09/99/37/982099937.db2.gz KGRNZQHDKZVUCH-QWHCGFSZSA-N -1 0 342.420 3.769 20 0 EHADRM O=C([O-])c1nc(NC(=O)[C@H]2CCCc3sccc32)sc1C1CC1 ZINC000910740638 982101715 /nfs/dbraw/zinc/10/17/15/982101715.db2.gz ABRVEKMOEPEVQG-JTQLQIEISA-N -1 0 348.449 3.839 20 0 EHADRM O=C([O-])CC1CC(NC(=O)c2ccc(-c3cccc(F)c3)s2)C1 ZINC000910804229 982125331 /nfs/dbraw/zinc/12/53/31/982125331.db2.gz FIGGZHDSWMBCPV-UHFFFAOYSA-N -1 0 333.384 3.537 20 0 EHADRM O=C([O-])CC1CC(NC(=O)C2(c3cccc(Cl)c3)CCCCC2)C1 ZINC000910813393 982134220 /nfs/dbraw/zinc/13/42/20/982134220.db2.gz UKJJVOOAYOUFMS-UHFFFAOYSA-N -1 0 349.858 3.911 20 0 EHADRM CC/C(C)=C(\C)C(=O)NCc1ccc(C(=O)[O-])cc1Br ZINC001594862394 982155009 /nfs/dbraw/zinc/15/50/09/982155009.db2.gz WHIKYUAMUJBWTP-MDZDMXLPSA-N -1 0 340.217 3.510 20 0 EHADRM CC(C)(C)OCc1ccccc1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000910945361 982170630 /nfs/dbraw/zinc/17/06/30/982170630.db2.gz TXJIZDPFNJUEIZ-KBPBESRZSA-N -1 0 333.428 3.831 20 0 EHADRM CC[C@H](C)[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC001594865846 982170740 /nfs/dbraw/zinc/17/07/40/982170740.db2.gz LQVWJMBXPPFVCW-UGSOOPFHSA-N -1 0 343.398 3.970 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC000910950628 982174119 /nfs/dbraw/zinc/17/41/19/982174119.db2.gz YVQIKUVXALMMEY-UHFFFAOYSA-N -1 0 347.440 3.917 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)CCC(=O)c1ccc(C)cc1 ZINC000910960394 982179079 /nfs/dbraw/zinc/17/90/79/982179079.db2.gz BQIBHZJGDMEHLK-UHFFFAOYSA-N -1 0 339.391 3.857 20 0 EHADRM CC[C@H](C)[C@H](C)C(=O)N[C@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001594872183 982186336 /nfs/dbraw/zinc/18/63/36/982186336.db2.gz AIVFRJNQIZQBBW-PRXAMGSTSA-N -1 0 325.836 3.828 20 0 EHADRM CC[C@H](C)[C@@H](C)C(=O)N[C@@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001594874700 982204015 /nfs/dbraw/zinc/20/40/15/982204015.db2.gz XNDVEDBBEITXTM-JKDFXYPNSA-N -1 0 325.836 3.524 20 0 EHADRM C[C@]1(Cc2cccs2)CCCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000911060932 982219858 /nfs/dbraw/zinc/21/98/58/982219858.db2.gz GMZZJCQBPGXCSZ-MRXNPFEDSA-N -1 0 335.450 3.745 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2SCCc3sccc32)cc(C(=O)[O-])c1 ZINC000911070652 982225124 /nfs/dbraw/zinc/22/51/24/982225124.db2.gz HNBUQHRSPLSSBW-CQSZACIVSA-N -1 0 333.434 3.724 20 0 EHADRM CCCCCC[C@@H](CC)C(=O)N[C@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC001595699195 982256939 /nfs/dbraw/zinc/25/69/39/982256939.db2.gz YBZBUCLHRFSQRA-KDOFPFPSSA-N -1 0 347.455 3.860 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)CCCc1ccc(CC(C)C)cc1)C(=O)[O-] ZINC001594886713 982266257 /nfs/dbraw/zinc/26/62/57/982266257.db2.gz BMXKOYBOEGRQBH-HNAYVOBHSA-N -1 0 333.472 3.823 20 0 EHADRM CCCCCCOCC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001595710661 982295353 /nfs/dbraw/zinc/29/53/53/982295353.db2.gz JYKWORINFGTYGO-UHFFFAOYSA-N -1 0 348.443 3.520 20 0 EHADRM CCCCCN(CCCOC)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001595716238 982319874 /nfs/dbraw/zinc/31/98/74/982319874.db2.gz SXRSYYVZVZLFRP-UHFFFAOYSA-N -1 0 340.395 3.585 20 0 EHADRM CCCCCOc1ccc(C(=O)N[C@H](CC(C)(C)C)C(=O)[O-])cc1 ZINC001595722115 982339434 /nfs/dbraw/zinc/33/94/34/982339434.db2.gz UEKBBYQOINEUTA-MRXNPFEDSA-N -1 0 335.444 3.875 20 0 EHADRM CCCCCOc1ccc(C(=O)N[C@](C)(CC(=O)[O-])C2CC2)cc1 ZINC001595722200 982340154 /nfs/dbraw/zinc/34/01/54/982340154.db2.gz XJSCJUQMLCCGLC-LJQANCHMSA-N -1 0 333.428 3.629 20 0 EHADRM CCCCC[S@](=O)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001595724024 982343293 /nfs/dbraw/zinc/34/32/93/982343293.db2.gz LBXYWRSWMQNEEH-QFIPXVFZSA-N -1 0 337.466 3.947 20 0 EHADRM CC[C@@H](NC(=O)CC1(CC(=O)[O-])CCCC1)c1nc2ccccc2[nH]1 ZINC000911325458 982349502 /nfs/dbraw/zinc/34/95/02/982349502.db2.gz NFFBJMQKGHNHPN-CYBMUJFWSA-N -1 0 343.427 3.555 20 0 EHADRM CCCCN([C@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC001595735599 982379591 /nfs/dbraw/zinc/37/95/91/982379591.db2.gz KXKWMQBNVVDNTG-LLVKDONJSA-N -1 0 347.864 3.628 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)c1cc(C(=O)[O-])ccc1Cl)C(C)C ZINC000911373462 982390880 /nfs/dbraw/zinc/39/08/80/982390880.db2.gz BKGAPOCLBWIPDM-HNNXBMFYSA-N -1 0 346.814 3.869 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)Nc1ccc(C)c(C(=O)[O-])c1)C(F)(F)F ZINC001594908713 982401477 /nfs/dbraw/zinc/40/14/77/982401477.db2.gz JIQVQFPHXOYPFO-PELKAZGASA-N -1 0 332.322 3.792 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)c1cc(C(C)C)nc2ccccc21)C(=O)[O-] ZINC001594911290 982413731 /nfs/dbraw/zinc/41/37/31/982413731.db2.gz AJWUJOUEXZDPGH-PXAZEXFGSA-N -1 0 328.412 3.587 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)c1oc2ccccc2c1CSC)C(=O)[O-] ZINC001594911653 982417411 /nfs/dbraw/zinc/41/74/11/982417411.db2.gz CDOQKVWKUNFOBS-IINYFYTJSA-N -1 0 335.425 3.525 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)c1oc2ccccc2c1CSC)C(=O)[O-] ZINC001594911655 982417692 /nfs/dbraw/zinc/41/76/92/982417692.db2.gz CDOQKVWKUNFOBS-QMTHXVAHSA-N -1 0 335.425 3.525 20 0 EHADRM C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)CCCCC(=O)[O-] ZINC000911508366 982463872 /nfs/dbraw/zinc/46/38/72/982463872.db2.gz IYHVPSSOEHQLAT-RYUDHWBXSA-N -1 0 345.361 3.959 20 0 EHADRM CC(C)(C)Oc1c(F)cc(NC(=O)c2cc(C(=O)[O-])co2)cc1F ZINC000911512876 982466979 /nfs/dbraw/zinc/46/69/79/982466979.db2.gz UURZCFGSPOHPFM-UHFFFAOYSA-N -1 0 339.294 3.686 20 0 EHADRM CCCCNc1nnc(SCc2cc(C)c(C(=O)[O-])o2)s1 ZINC001595763352 982471236 /nfs/dbraw/zinc/47/12/36/982471236.db2.gz IDUFALWMPRBIPO-UHFFFAOYSA-N -1 0 327.431 3.642 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2c2ccc(F)cc2F)s1 ZINC000911545749 982489023 /nfs/dbraw/zinc/48/90/23/982489023.db2.gz RKHPLEHBLNIZQJ-LBPRGKRZSA-N -1 0 337.347 3.702 20 0 EHADRM CCCCO[C@H]1C[C@H](N(C)C(=O)Nc2ccc(C(=O)[O-])cc2)C1(C)C ZINC001595766232 982496574 /nfs/dbraw/zinc/49/65/74/982496574.db2.gz ZHMCECHRGNVOLN-HOTGVXAUSA-N -1 0 348.443 3.832 20 0 EHADRM CCCCO[C@H]1C[C@H](NC(=O)CC2(CC(=O)[O-])CCCC2)C1(C)C ZINC001595769612 982499102 /nfs/dbraw/zinc/49/91/02/982499102.db2.gz CMVZMZUZWPCZNG-GJZGRUSLSA-N -1 0 339.476 3.512 20 0 EHADRM CCCCOCCCNC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001595770061 982503756 /nfs/dbraw/zinc/50/37/56/982503756.db2.gz KEIHKLOTSDTPRZ-UHFFFAOYSA-N -1 0 346.786 3.506 20 0 EHADRM CC[C@H](C)[C@@H](Sc1n[nH]c(-c2ccc3c(c2)CCC3)n1)C(=O)[O-] ZINC001594927932 982529278 /nfs/dbraw/zinc/52/92/78/982529278.db2.gz AAVBODSZZJAJRY-IINYFYTJSA-N -1 0 331.441 3.552 20 0 EHADRM CCCCOc1ccc(C(=O)N[C@](C)(CCC)C(=O)[O-])c(Cl)c1 ZINC001595777262 982546547 /nfs/dbraw/zinc/54/65/47/982546547.db2.gz PBIOHBRHRKUPOD-QGZVFWFLSA-N -1 0 341.835 3.892 20 0 EHADRM C/C(=C/C1CCC(C)CC1)C(=O)N[C@](C)(CC(=O)[O-])c1ccccn1 ZINC000911623829 982567829 /nfs/dbraw/zinc/56/78/29/982567829.db2.gz NNRLGCZTANNZEL-ZLGNFKMMSA-N -1 0 344.455 3.660 20 0 EHADRM O=C([O-])C12CCC(C(=O)NC[C@@H]3CCC[C@@H]3c3ccccc3)(CC1)C2 ZINC000911664953 982593146 /nfs/dbraw/zinc/59/31/46/982593146.db2.gz OBWPYNLSCMMDJC-ZGDXVETISA-N -1 0 341.451 3.722 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)C[C@H](CC)c1ccc(OC)cc1)C(=O)[O-] ZINC001594937920 982603638 /nfs/dbraw/zinc/60/36/38/982603638.db2.gz BAEZSVWWNLNSSD-GRDNDAEWSA-N -1 0 335.444 3.585 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)Cc1cccc(OCC=C(C)C)c1)C(=O)[O-] ZINC001594942409 982619416 /nfs/dbraw/zinc/61/94/16/982619416.db2.gz PNOJDBGABSHLDS-CRAIPNDOSA-N -1 0 347.455 3.580 20 0 EHADRM Cc1cccc(CC(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)c1 ZINC000911739453 982622246 /nfs/dbraw/zinc/62/22/46/982622246.db2.gz TXOMHSPTLXKPCY-UHFFFAOYSA-N -1 0 327.380 3.662 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)c1ccc(C)c(C(F)(F)F)c1)C(=O)[O-] ZINC001594945263 982631943 /nfs/dbraw/zinc/63/19/43/982631943.db2.gz AQBLTDLSIPHDTK-NOZJJQNGSA-N -1 0 331.334 3.633 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)c1cccc2c1ccn2CC(C)C)C(=O)[O-] ZINC001594945664 982634924 /nfs/dbraw/zinc/63/49/24/982634924.db2.gz FLJMFPDRYGOJEV-YOEHRIQHSA-N -1 0 344.455 3.917 20 0 EHADRM CCCCn1ncc(NCc2cc(C(=O)[O-])c(C)n2C)c1C(C)C ZINC001595811112 982648484 /nfs/dbraw/zinc/64/84/84/982648484.db2.gz VXTSLTGLRQCDDB-UHFFFAOYSA-N -1 0 332.448 3.764 20 0 EHADRM CCCN(C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)[C@H](C)C(=O)[O-] ZINC001595814749 982661764 /nfs/dbraw/zinc/66/17/64/982661764.db2.gz SYPVYFOWSADXGP-OASPWFOLSA-N -1 0 344.238 3.809 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H](c2ccccc2)C2CCCCC2)nc1 ZINC000915285927 982666905 /nfs/dbraw/zinc/66/69/05/982666905.db2.gz QNHVYZNPHDWIJJ-SFHVURJKSA-N -1 0 338.407 3.831 20 0 EHADRM CC[C@H](C)CSCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC001594967058 982725226 /nfs/dbraw/zinc/72/52/26/982725226.db2.gz ISPGXAQSVXCWRI-VIFPVBQESA-N -1 0 327.471 3.653 20 0 EHADRM CCCN(C)C(=O)Nc1c(OCc2ccccc2)cccc1C(=O)[O-] ZINC001595837092 982746608 /nfs/dbraw/zinc/74/66/08/982746608.db2.gz UKTOEXKKDACEGL-UHFFFAOYSA-N -1 0 342.395 3.838 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC001594975430 982749068 /nfs/dbraw/zinc/74/90/68/982749068.db2.gz IOVDQXWFUDAYEL-GFCCVEGCSA-N -1 0 343.448 3.839 20 0 EHADRM CCCN(C)c1ccc(C(=O)Nc2cc(C(=O)[O-])cnc2Cl)cc1 ZINC001595839999 982758720 /nfs/dbraw/zinc/75/87/20/982758720.db2.gz NRJWFPKXSCGNLY-UHFFFAOYSA-N -1 0 347.802 3.532 20 0 EHADRM CCCN(C)c1ccc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC001595840448 982760948 /nfs/dbraw/zinc/76/09/48/982760948.db2.gz XZPCFYVIVAXOGF-UHFFFAOYSA-N -1 0 340.423 3.503 20 0 EHADRM O=C([O-])CCC1(NC(=O)Cc2c[nH]c3ccc(F)cc23)CCCCC1 ZINC000923212303 982843385 /nfs/dbraw/zinc/84/33/85/982843385.db2.gz VGPJKYNHOVFJSN-UHFFFAOYSA-N -1 0 346.402 3.533 20 0 EHADRM CCCN(CCC)c1ccc(NC(=O)N2CCC[C@@H]2CC(=O)[O-])cc1 ZINC001595880076 982885441 /nfs/dbraw/zinc/88/54/41/982885441.db2.gz WGBKJBAFFUQULA-QGZVFWFLSA-N -1 0 347.459 3.784 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC001595000814 982913422 /nfs/dbraw/zinc/91/34/22/982913422.db2.gz YIMPBFWAQBAKLP-KCMWZYNZSA-N -1 0 345.439 3.722 20 0 EHADRM CC[C@H](C)Oc1ccc(NC(=O)c2ccsc2CC(=O)[O-])cc1 ZINC001595007675 982925677 /nfs/dbraw/zinc/92/56/77/982925677.db2.gz FJQQTBVROCRDLM-NSHDSACASA-N -1 0 333.409 3.805 20 0 EHADRM CC[C@@H](C)Oc1ccc(NC(=O)N2CCC[C@](C)(C(=O)[O-])C2)cc1 ZINC001595008292 982928766 /nfs/dbraw/zinc/92/87/66/982928766.db2.gz NUKYYGXRBDNIKG-ACJLOTCBSA-N -1 0 334.416 3.583 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)Cc1coc(-c2ccccc2)n1 ZINC001116326169 982929217 /nfs/dbraw/zinc/92/92/17/982929217.db2.gz VDVOSMFMPNJPHJ-UHFFFAOYSA-N -1 0 336.347 3.529 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)CC2(CC(=O)[O-])CCCC2)n1 ZINC001595008677 982929365 /nfs/dbraw/zinc/92/93/65/982929365.db2.gz QHAZWHLOHXWVFA-ZDUSSCGKSA-N -1 0 334.416 3.623 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)CC2(CC(=O)[O-])CCCC2)n1 ZINC001595008675 982929505 /nfs/dbraw/zinc/92/95/05/982929505.db2.gz QHAZWHLOHXWVFA-CYBMUJFWSA-N -1 0 334.416 3.623 20 0 EHADRM CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)C(C)(C)CC(=O)[O-] ZINC001595014353 982952012 /nfs/dbraw/zinc/95/20/12/982952012.db2.gz RNIWYJBMQPJJAY-STQMWFEESA-N -1 0 349.427 3.571 20 0 EHADRM CCCN1CCN(Cc2cc(C(=O)[O-])ccc2F)c2ccc(F)cc21 ZINC001595912444 983007567 /nfs/dbraw/zinc/00/75/67/983007567.db2.gz QZESKWHJVVRIHL-UHFFFAOYSA-N -1 0 346.377 3.900 20 0 EHADRM CCCOc1cc(OC)ccc1C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001595952385 983127838 /nfs/dbraw/zinc/12/78/38/983127838.db2.gz NFDFOQFNPSIESV-UHFFFAOYSA-N -1 0 349.408 3.804 20 0 EHADRM CCCOc1ccc(NC(=O)N[C@@H](CC(=O)[O-])C2CC2)cc1C(C)C ZINC001595960684 983153486 /nfs/dbraw/zinc/15/34/86/983153486.db2.gz OSZKMDUGSASURS-INIZCTEOSA-N -1 0 348.443 3.974 20 0 EHADRM CCCOc1ccc(OCC(=O)Nc2c(C)csc2C(=O)[O-])cc1 ZINC001595966600 983173711 /nfs/dbraw/zinc/17/37/11/983173711.db2.gz LHNMYOVHLCWSFL-UHFFFAOYSA-N -1 0 349.408 3.561 20 0 EHADRM CCCOc1ccc(OC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1 ZINC001595966995 983176675 /nfs/dbraw/zinc/17/66/75/983176675.db2.gz ZDKIDLCQYPPOKV-UHFFFAOYSA-N -1 0 332.396 3.806 20 0 EHADRM CCCOc1cccc(-c2noc(Cc3ccccc3C(=O)[O-])n2)c1 ZINC001595967480 983182353 /nfs/dbraw/zinc/18/23/53/983182353.db2.gz YEBRITKRCRTPFA-UHFFFAOYSA-N -1 0 338.363 3.814 20 0 EHADRM CCCOc1ccccc1NC(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001595969978 983193495 /nfs/dbraw/zinc/19/34/95/983193495.db2.gz URWLCYUYIFWQFT-HNNXBMFYSA-N -1 0 348.443 3.878 20 0 EHADRM CCC[C@@H]1C[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001596007698 983263063 /nfs/dbraw/zinc/26/30/63/983263063.db2.gz JJVPZEIJBNHWLG-BNOWGMLFSA-N -1 0 343.345 3.774 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[S@@](=O)c1ccc(O)cc1 ZINC000108082963 1014929062 /nfs/dbraw/zinc/92/90/62/1014929062.db2.gz PWZPRSPGBRCTKZ-RZFZLAGVSA-N -1 0 345.464 3.825 20 0 EHADRM CCC[C@H](NC(=O)[C@@H](CC)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001596010966 983271539 /nfs/dbraw/zinc/27/15/39/983271539.db2.gz IWDWEAGAIJFAET-JSGCOSHPSA-N -1 0 345.361 3.644 20 0 EHADRM CCCc1c(C(=O)NCc2cc3ccccc3o2)[nH]c(C)c1C(=O)[O-] ZINC001596042481 983329580 /nfs/dbraw/zinc/32/95/80/983329580.db2.gz UHPMRRPVXJYLDK-UHFFFAOYSA-N -1 0 340.379 3.650 20 0 EHADRM CCCc1c(C(=O)Nc2ccc(C)c(OC)c2C)[nH]c(C)c1C(=O)[O-] ZINC001596045274 983331481 /nfs/dbraw/zinc/33/14/81/983331481.db2.gz HKXAGHVXGZQYRL-UHFFFAOYSA-N -1 0 344.411 3.852 20 0 EHADRM CCCc1c(C(=O)Nc2ccc(OCC)cc2C)[nH]c(C)c1C(=O)[O-] ZINC001596045273 983331684 /nfs/dbraw/zinc/33/16/84/983331684.db2.gz HKLMQHVCJFZSLN-UHFFFAOYSA-N -1 0 344.411 3.933 20 0 EHADRM CCCc1c(C(=O)Nc2cc(CCC(C)C)[nH]n2)[nH]c(C)c1C(=O)[O-] ZINC001596045319 983332381 /nfs/dbraw/zinc/33/23/81/983332381.db2.gz KDUCQHCAVUVCSG-UHFFFAOYSA-N -1 0 346.431 3.538 20 0 EHADRM CCCc1c(N[C@H](C)[C@@H]2C[C@H]2C(=O)[O-])cnn1-c1ccc(C)cc1 ZINC001596050756 983349475 /nfs/dbraw/zinc/34/94/75/983349475.db2.gz LGMAFVAWSJBCAU-VNQPRFMTSA-N -1 0 327.428 3.654 20 0 EHADRM CCCc1ccc(C(=O)N2C[C@H](C(=O)[O-])Cc3ccccc32)s1 ZINC001596060412 983368958 /nfs/dbraw/zinc/36/89/58/983368958.db2.gz HOXFFIWXDQPCRD-CYBMUJFWSA-N -1 0 329.421 3.604 20 0 EHADRM CCCc1ccc(C(=O)N[C@](C)(Cc2ccc(F)cc2)C(=O)[O-])cc1 ZINC001596060883 983370732 /nfs/dbraw/zinc/37/07/32/983370732.db2.gz YVNZUYRIBJHVGF-HXUWFJFHSA-N -1 0 343.398 3.594 20 0 EHADRM CCCc1ccc([C@@H](NC(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C(C)C)cc1 ZINC001596062641 983372407 /nfs/dbraw/zinc/37/24/07/983372407.db2.gz INIHNQVATNWIKP-OLMNPRSZSA-N -1 0 346.471 3.698 20 0 EHADRM CCCc1ccc(CCCC(=O)NCc2cc(C)c(C(=O)[O-])o2)cc1 ZINC001596063157 983374113 /nfs/dbraw/zinc/37/41/13/983374113.db2.gz SZQDIWMLAOCNGS-UHFFFAOYSA-N -1 0 343.423 3.878 20 0 EHADRM CCCc1ccccc1NC(=O)N[C@@](C)(CC(=O)[O-])c1ccncc1 ZINC001596070546 983385922 /nfs/dbraw/zinc/38/59/22/983385922.db2.gz KXZXRDAGXUJPNJ-IBGZPJMESA-N -1 0 341.411 3.546 20 0 EHADRM CCCc1ccccc1NC(=O)N[C@](C)(CC(=O)[O-])c1ccncc1 ZINC001596070547 983386081 /nfs/dbraw/zinc/38/60/81/983386081.db2.gz KXZXRDAGXUJPNJ-LJQANCHMSA-N -1 0 341.411 3.546 20 0 EHADRM CCCn1cc(NCc2ccc(-c3ccc(C(=O)[O-])cc3)o2)cn1 ZINC001596115872 983446020 /nfs/dbraw/zinc/44/60/20/983446020.db2.gz LOPUZUFGKHRNEE-UHFFFAOYSA-N -1 0 325.368 3.863 20 0 EHADRM CCCn1ccc2cc(NC(=O)N[C@H]3CC[C@@H](CC(=O)[O-])C3)ccc21 ZINC001596116209 983446878 /nfs/dbraw/zinc/44/68/78/983446878.db2.gz VWJXEIYOXPYTRD-HIFRSBDPSA-N -1 0 343.427 3.816 20 0 EHADRM CCN(C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1)C(C)C ZINC001596148811 983505678 /nfs/dbraw/zinc/50/56/78/983505678.db2.gz CCJQOPDKSVAZOD-ZDUSSCGKSA-N -1 0 346.349 3.661 20 0 EHADRM CCN(C(=O)Nc1cccc(CCC(=O)[O-])c1)[C@@H]1CCOC(C)(C)C1 ZINC001596158908 983522593 /nfs/dbraw/zinc/52/25/93/983522593.db2.gz VQQNVBWXRMSUNS-MRXNPFEDSA-N -1 0 348.443 3.515 20 0 EHADRM CCN(C(=O)Nc1cccc2cc(C(=O)[O-])sc21)[C@H]1CCCOC1 ZINC001596158974 983522602 /nfs/dbraw/zinc/52/26/02/983522602.db2.gz WOTKEHOCOGIQIQ-LBPRGKRZSA-N -1 0 348.424 3.632 20 0 EHADRM CCN(C(=O)c1ccc(CCC(F)(F)F)cc1)C(C)(C)C(=O)[O-] ZINC001596167582 983533050 /nfs/dbraw/zinc/53/30/50/983533050.db2.gz YYHREQWECNXZOT-UHFFFAOYSA-N -1 0 331.334 3.507 20 0 EHADRM CCN(CC(=O)Nc1ccccc1C(=O)[O-])c1ccccc1Cl ZINC001596209431 983600163 /nfs/dbraw/zinc/60/01/63/983600163.db2.gz KBTVHAKZUNTZQU-UHFFFAOYSA-N -1 0 332.787 3.503 20 0 EHADRM CCN(Cc1cc(C(=O)[O-])c2n1CCCC2)Cc1c(F)cccc1F ZINC001596354574 983819835 /nfs/dbraw/zinc/81/98/35/983819835.db2.gz YSGHKALBHHCXJK-UHFFFAOYSA-N -1 0 348.393 3.823 20 0 EHADRM CCN(Cc1ccc(C)cc1)C(=O)CCc1ccccc1C(=O)[O-] ZINC001596357385 983827590 /nfs/dbraw/zinc/82/75/90/983827590.db2.gz BUFJGEUURPEODO-UHFFFAOYSA-N -1 0 325.408 3.675 20 0 EHADRM CCN(Cc1ccc(Cl)c(Cl)c1)c1cc(C(=O)[O-])ncn1 ZINC001596359547 983834233 /nfs/dbraw/zinc/83/42/33/983834233.db2.gz JLNFIXJPSBZTCF-UHFFFAOYSA-N -1 0 326.183 3.508 20 0 EHADRM CCNc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001596504029 984257274 /nfs/dbraw/zinc/25/72/74/984257274.db2.gz GTWPPYDDGSIJQT-UHFFFAOYSA-N -1 0 348.786 3.731 20 0 EHADRM CCOC(=O)[C@@H](CCCC(C)C)NCc1ccc(C)c(C(=O)[O-])c1 ZINC001596526941 984338210 /nfs/dbraw/zinc/33/82/10/984338210.db2.gz BMFWHWVRBQLKIH-QGZVFWFLSA-N -1 0 335.444 3.541 20 0 EHADRM C=COc1ccc(NC(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)cc1 ZINC001588913985 984556840 /nfs/dbraw/zinc/55/68/40/984556840.db2.gz NLSLBCGCEZXWMR-UHFFFAOYSA-N -1 0 347.396 3.672 20 0 EHADRM C/C(=C(/F)C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1)C1CC1 ZINC001588932179 984606315 /nfs/dbraw/zinc/60/63/15/984606315.db2.gz BJWCOGNMKYSAPA-CLFYSBASSA-N -1 0 326.393 3.731 20 0 EHADRM C/C(=C/C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])c1ccc(F)cc1 ZINC001588938299 984620844 /nfs/dbraw/zinc/62/08/44/984620844.db2.gz AMXFPYJOTHKPCY-MOJYJUKOSA-N -1 0 333.403 3.769 20 0 EHADRM C/C(=C\C(=O)Nc1nc(CCCC(=O)[O-])cs1)c1ccccc1C ZINC001588945779 984654243 /nfs/dbraw/zinc/65/42/43/984654243.db2.gz MZXHFOZHSKPSGP-JLHYYAGUSA-N -1 0 344.436 3.901 20 0 EHADRM C/C(=C\C(=O)Nc1cnc(C)c(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC001588945989 984655372 /nfs/dbraw/zinc/65/53/72/984655372.db2.gz OOLAYVUYRBQIDN-UXBLZVDNSA-N -1 0 330.771 3.784 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001599892672 984714278 /nfs/dbraw/zinc/71/42/78/984714278.db2.gz XXXQPSJINVXLEA-SNVBAGLBSA-N -1 0 335.762 3.995 20 0 EHADRM C[C@H](NC(=O)NC1CC(CC(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC001599894538 984736595 /nfs/dbraw/zinc/73/65/95/984736595.db2.gz YRKRJPQYIRMEQB-SILCLGDVSA-N -1 0 345.226 3.607 20 0 EHADRM C[C@H](NC(=O)c1ccc(/C=C\C(=O)[O-])o1)c1ccc(Cl)s1 ZINC001599900697 984818341 /nfs/dbraw/zinc/81/83/41/984818341.db2.gz PQZVLCHBMOPYKU-PFPYCLJUSA-N -1 0 325.773 3.583 20 0 EHADRM C[C@H](NCc1csc(-c2ccc(C(=O)[O-])cc2)n1)c1ccccn1 ZINC001599901924 984850876 /nfs/dbraw/zinc/85/08/76/984850876.db2.gz WQOYAMISJBXACE-LBPRGKRZSA-N -1 0 339.420 3.754 20 0 EHADRM C[C@H](Oc1ccc2ccccc2c1)C(=O)NC1(CC(=O)[O-])CCCC1 ZINC001599905690 984919297 /nfs/dbraw/zinc/91/92/97/984919297.db2.gz CWAGUALSPVQEQV-AWEZNQCLSA-N -1 0 341.407 3.511 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC001588995114 984921132 /nfs/dbraw/zinc/92/11/32/984921132.db2.gz DNXGNASTJLMAQM-NZHZHZHDSA-N -1 0 329.440 3.796 20 0 EHADRM C/C(=C/c1c(Cl)cccc1Cl)C(=O)N[C@H](CC1CC1)C(=O)[O-] ZINC001588995763 984928144 /nfs/dbraw/zinc/92/81/44/984928144.db2.gz RDJYCSWGNTXYIX-IUCKJTJTSA-N -1 0 342.222 3.766 20 0 EHADRM C[C@H](OC(=O)c1ccoc1CC(=O)[O-])c1cccc(Cl)c1F ZINC001599906622 984931533 /nfs/dbraw/zinc/93/15/33/984931533.db2.gz NJHWMLVHYOMWDW-QMMMGPOBSA-N -1 0 326.707 3.617 20 0 EHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001588998113 984934191 /nfs/dbraw/zinc/93/41/91/984934191.db2.gz IDYBRXUEHOPGNY-JGWGFIMPSA-N -1 0 347.842 3.847 20 0 EHADRM C/C(=C\c1ccccc1)CN(C)Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001589003490 984953242 /nfs/dbraw/zinc/95/32/42/984953242.db2.gz BLJGXZPPFXHYDZ-GXDHUFHOSA-N -1 0 335.407 3.796 20 0 EHADRM C/C(=C/c1ccccc1Cl)C(=O)NCc1ccccc1C(=O)[O-] ZINC001589004105 984960814 /nfs/dbraw/zinc/96/08/14/984960814.db2.gz XMHHOISTYZCYPI-BENRWUELSA-N -1 0 329.783 3.758 20 0 EHADRM C/C(=C\c1ccccc1C(F)(F)F)COC(=O)[C@H](C)CC(=O)[O-] ZINC001589004173 984962314 /nfs/dbraw/zinc/96/23/14/984962314.db2.gz ZIGJOKFIWLPLPK-PFEDMVJOSA-N -1 0 330.302 3.763 20 0 EHADRM CC(=O)[C@@H](C)CCCCC(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC001589023778 985025901 /nfs/dbraw/zinc/02/59/01/985025901.db2.gz VOUQVNOBDUHDAO-WBAXXEDZSA-N -1 0 345.439 3.589 20 0 EHADRM C[C@H]1CN(C(=O)C2(Sc3ccccc3)CCCC2)C[C@]1(C)C(=O)[O-] ZINC001599914598 985037173 /nfs/dbraw/zinc/03/71/73/985037173.db2.gz BUQLGSRSAHQEGE-KSSFIOAISA-N -1 0 347.480 3.661 20 0 EHADRM CC(=O)CC(C)(C)CC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001589029334 985050667 /nfs/dbraw/zinc/05/06/67/985050667.db2.gz AMJPEDLEQWGNAJ-UHFFFAOYSA-N -1 0 329.755 3.511 20 0 EHADRM CCO[C@@H](C(=O)N1CCCc2c(C)ccc(C(=O)[O-])c21)C1CCCC1 ZINC001596760383 985138665 /nfs/dbraw/zinc/13/86/65/985138665.db2.gz DRBAVJVKLBXTAL-GOSISDBHSA-N -1 0 345.439 3.568 20 0 EHADRM CC(=O)N(c1ccc(N[C@H](C(=O)[O-])c2ccsc2)cc1)C1CC1 ZINC001589051757 985142083 /nfs/dbraw/zinc/14/20/83/985142083.db2.gz NGGQFDWOSFQGSP-INIZCTEOSA-N -1 0 330.409 3.501 20 0 EHADRM CCO[C@H](C(=O)Nc1c(C)sc(C)c1C(=O)[O-])C1CCCC1 ZINC001596766707 985174018 /nfs/dbraw/zinc/17/40/18/985174018.db2.gz GESFVBJREAUUHT-AWEZNQCLSA-N -1 0 325.430 3.597 20 0 EHADRM CCO[C@H](CC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1)C(C)C ZINC001596781921 985236575 /nfs/dbraw/zinc/23/65/75/985236575.db2.gz KHIQWWBNPJBMPB-MJGOQNOKSA-N -1 0 343.423 3.533 20 0 EHADRM CCO[C@H](c1nc(COc2cccc(C(=O)[O-])c2)no1)C1CCCC1 ZINC001596790373 985265433 /nfs/dbraw/zinc/26/54/33/985265433.db2.gz MKDQALJTVNLUOJ-INIZCTEOSA-N -1 0 346.383 3.615 20 0 EHADRM C[C@H]1c2ccccc2C[C@H]1NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001599937957 985419425 /nfs/dbraw/zinc/41/94/25/985419425.db2.gz RJTWMHZBZLLZJJ-SCLBCKFNSA-N -1 0 338.407 3.554 20 0 EHADRM Cc1[nH]c(C(=O)[C@@H](C)Nc2cccc3c2CCCC3)c(C)c1C(=O)[O-] ZINC001599943451 985484601 /nfs/dbraw/zinc/48/46/01/985484601.db2.gz KWSPQLSQWUKGCO-CYBMUJFWSA-N -1 0 340.423 3.892 20 0 EHADRM Cc1[nH]c(C(=O)CSc2nccc3ccccc32)c(C)c1C(=O)[O-] ZINC001599949221 985579245 /nfs/dbraw/zinc/57/92/45/985579245.db2.gz FJFVDLQZUATDFJ-UHFFFAOYSA-N -1 0 340.404 3.853 20 0 EHADRM Cc1[nH]c(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC001599951583 985617032 /nfs/dbraw/zinc/61/70/32/985617032.db2.gz UMYXUGOMSDDZQC-NSHDSACASA-N -1 0 334.803 3.816 20 0 EHADRM Cc1[nH]c(C(=O)N[C@H]2CCc3cccc4cccc2c43)c(C)c1C(=O)[O-] ZINC001599952795 985638405 /nfs/dbraw/zinc/63/84/05/985638405.db2.gz NBBLDXJBOURXFG-INIZCTEOSA-N -1 0 348.402 3.900 20 0 EHADRM Cc1[nH]c(CN2CC3(CCCC3)c3c2cccc3F)cc1C(=O)[O-] ZINC001599961433 985787733 /nfs/dbraw/zinc/78/77/33/985787733.db2.gz GALQUCUDGWBBJM-UHFFFAOYSA-N -1 0 328.387 3.992 20 0 EHADRM CC(=O)c1c(C)cccc1NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001589254959 985887871 /nfs/dbraw/zinc/88/78/71/985887871.db2.gz PNFJTNYYBFCQDQ-UHFFFAOYSA-N -1 0 331.755 3.802 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])[nH]c1NC(=O)c1ccc(C(C)(C)C)s1 ZINC001589260981 985915685 /nfs/dbraw/zinc/91/56/85/985915685.db2.gz RAZLFGOVVMERRN-UHFFFAOYSA-N -1 0 334.397 3.527 20 0 EHADRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001599966694 985919126 /nfs/dbraw/zinc/91/91/26/985919126.db2.gz VJQPSFAXCBKLSG-UHFFFAOYSA-N -1 0 342.782 3.758 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])[nH]c1NC(=O)c1ccc(SC(C)C)cc1 ZINC001589264784 985936046 /nfs/dbraw/zinc/93/60/46/985936046.db2.gz PPUUBVROQQCMGV-UHFFFAOYSA-N -1 0 346.408 3.668 20 0 EHADRM Cc1[nH]nc(NC(=O)c2cc(C(=O)[O-])co2)c1-c1ccc(Cl)cc1 ZINC001599968384 985956639 /nfs/dbraw/zinc/95/66/39/985956639.db2.gz ASONBDHJIUPAEF-UHFFFAOYSA-N -1 0 345.742 3.582 20 0 EHADRM Cc1c(-c2cc(CSCc3cccc(C(=O)[O-])c3)on2)cnn1C ZINC001599969470 985979128 /nfs/dbraw/zinc/97/91/28/985979128.db2.gz ICGGAGPVDHLNSJ-UHFFFAOYSA-N -1 0 343.408 3.515 20 0 EHADRM CC(=O)c1ccc(C(=O)O[C@@H](CC2CCCCC2)C(=O)[O-])c(F)c1 ZINC001589279443 986003116 /nfs/dbraw/zinc/00/31/16/986003116.db2.gz QZBLFSIBTOBTMO-INIZCTEOSA-N -1 0 336.359 3.609 20 0 EHADRM CC(=O)c1ccc(CC(=O)OCc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC001589283855 986016187 /nfs/dbraw/zinc/01/61/87/986016187.db2.gz SKHNTHPXDRRMEK-UHFFFAOYSA-N -1 0 346.766 3.527 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N[C@@H](C(=O)[O-])c1ccsc1 ZINC001599977905 986120285 /nfs/dbraw/zinc/12/02/85/986120285.db2.gz KOGFVVFWJMQJGU-CYBMUJFWSA-N -1 0 349.408 3.966 20 0 EHADRM C[C@@H]1CN(Cc2ccc(C(=O)[O-])cc2Br)CCC1(F)F ZINC001594538321 986166953 /nfs/dbraw/zinc/16/69/53/986166953.db2.gz MJBXDJGLZJKQPN-SECBINFHSA-N -1 0 348.187 3.624 20 0 EHADRM Cc1c(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)cnn1C(C)(C)C ZINC001599983112 986191264 /nfs/dbraw/zinc/19/12/64/986191264.db2.gz ZDRQUGSMQUGHQU-UHFFFAOYSA-N -1 0 335.791 3.550 20 0 EHADRM Cc1c(C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)sc2cccc(F)c12 ZINC001599983260 986193249 /nfs/dbraw/zinc/19/32/49/986193249.db2.gz IAVUGKCBIFRCHC-XZUYRWCXSA-N -1 0 347.411 3.578 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)CCCOC(C)(C)C)ccc2n1C ZINC001599986315 986229495 /nfs/dbraw/zinc/22/94/95/986229495.db2.gz WBULVHPIBGKKBM-UHFFFAOYSA-N -1 0 347.411 3.686 20 0 EHADRM C[C@H](C(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1)[C@H](C)C(C)(C)C ZINC001589346281 986286168 /nfs/dbraw/zinc/28/61/68/986286168.db2.gz ONKJDISBKQFDBD-AUSJPIAWSA-N -1 0 331.456 3.560 20 0 EHADRM CCOc1cc(Br)c(F)cc1N[C@H](C)[C@H]1C[C@H]1C(=O)[O-] ZINC001596993784 986289654 /nfs/dbraw/zinc/28/96/54/986289654.db2.gz YNWHNOVWANQLAC-IWSPIJDZSA-N -1 0 346.196 3.508 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)OC1CCCCCC1 ZINC001597009343 986343594 /nfs/dbraw/zinc/34/35/94/986343594.db2.gz NGDXDNKHCCYNIN-ZDUSSCGKSA-N -1 0 349.427 3.850 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NCc1ccc(C)c(F)c1 ZINC001597021189 986408883 /nfs/dbraw/zinc/40/88/83/986408883.db2.gz VJYNDNYNPFZSEE-UHFFFAOYSA-N -1 0 346.358 3.553 20 0 EHADRM C[C@H](C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC001589369637 986418904 /nfs/dbraw/zinc/41/89/04/986418904.db2.gz WVGGHNORIFOACY-JFGNBEQYSA-N -1 0 344.238 3.666 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001597022904 986425668 /nfs/dbraw/zinc/42/56/68/986425668.db2.gz PMKGAHCKCLIPSQ-QRWLVFNGSA-N -1 0 339.391 3.916 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(Cl)cc1F ZINC001597025362 986431157 /nfs/dbraw/zinc/43/11/57/986431157.db2.gz KERYCVVOLGSFOH-UHFFFAOYSA-N -1 0 337.734 3.828 20 0 EHADRM C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccsc1)c1ccc2ccccc2c1 ZINC001589378435 986443811 /nfs/dbraw/zinc/44/38/11/986443811.db2.gz JVVFLNPCSVURIS-SJKOYZFVSA-N -1 0 339.416 3.947 20 0 EHADRM C[C@H]1CN(c2ncc(C(=O)[O-])cc2Cl)CCc2ccc(F)cc21 ZINC001594584085 986456491 /nfs/dbraw/zinc/45/64/91/986456491.db2.gz WIJGJIUJOICDOE-JTQLQIEISA-N -1 0 334.778 3.739 20 0 EHADRM CCOc1cc(NC(=O)NCC2(C(=O)[O-])CCCCC2)ccc1C ZINC001597042822 986496373 /nfs/dbraw/zinc/49/63/73/986496373.db2.gz CFQHRPZMDRVTPQ-UHFFFAOYSA-N -1 0 334.416 3.550 20 0 EHADRM CCOc1ccc(C(=O)Nc2scc(C)c2C(=O)[O-])cc1OCC ZINC001597062201 986553514 /nfs/dbraw/zinc/55/35/14/986553514.db2.gz QSIKVQPSEZUHMW-UHFFFAOYSA-N -1 0 349.408 3.804 20 0 EHADRM C[C@@H]1CSC(S[C@H](C(=O)[O-])c2ccccc2Br)=N1 ZINC001594609593 986596655 /nfs/dbraw/zinc/59/66/55/986596655.db2.gz HZXPWGJAGQQMFF-XCBNKYQSSA-N -1 0 346.271 3.799 20 0 EHADRM C[C@H](C(=O)NCCCCC1(C(=O)[O-])CCC1)c1ccc(F)c(F)c1 ZINC001589407729 986600621 /nfs/dbraw/zinc/60/06/21/986600621.db2.gz WVYUPQUSIQEYCE-LBPRGKRZSA-N -1 0 339.382 3.610 20 0 EHADRM C[C@H](C(=O)NCCc1ccccc1C(=O)[O-])c1cc2ccccc2o1 ZINC001589410054 986610680 /nfs/dbraw/zinc/61/06/80/986610680.db2.gz RCETZBZXBKZLIS-ZDUSSCGKSA-N -1 0 337.375 3.593 20 0 EHADRM CCOc1ccc(C[C@@H](C)C(=O)Nc2scc(C(=O)[O-])c2C)cc1 ZINC001597085255 986649470 /nfs/dbraw/zinc/64/94/70/986649470.db2.gz RNCZTPCNFQODDQ-LLVKDONJSA-N -1 0 347.436 3.971 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)Nc2ccc3c(c2)C[C@@H](C)O3)c1 ZINC001594619309 986649988 /nfs/dbraw/zinc/64/99/88/986649988.db2.gz ZDKINVSEIRNJGC-VXGBXAGGSA-N -1 0 340.379 3.842 20 0 EHADRM C[C@H](C(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1)c1ccc(Cl)cc1 ZINC001589423884 986684029 /nfs/dbraw/zinc/68/40/29/986684029.db2.gz NGJMHPDXXRDSAB-SUMWQHHRSA-N -1 0 345.826 3.646 20 0 EHADRM C[C@@H](C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1)c1cccc(Cl)c1 ZINC001589423964 986685265 /nfs/dbraw/zinc/68/52/65/986685265.db2.gz YDMDISSBXCCAOL-DYVFJYSZSA-N -1 0 345.826 3.646 20 0 EHADRM C[C@@H](C(=O)Nc1cc(C(F)(F)F)cnc1C(=O)[O-])c1cccs1 ZINC001589428511 986702699 /nfs/dbraw/zinc/70/26/99/986702699.db2.gz HNYIPEIJYQPZPK-SSDOTTSWSA-N -1 0 344.314 3.602 20 0 EHADRM C[C@H](C(=O)Nc1ccc(C(=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC001589431661 986731042 /nfs/dbraw/zinc/73/10/42/986731042.db2.gz JEBYAHIWSFCWIV-QMMMGPOBSA-N -1 0 339.178 3.829 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F)C1CCC1 ZINC001589431938 986735979 /nfs/dbraw/zinc/73/59/79/986735979.db2.gz TYBCUHYMVKUFNG-SECBINFHSA-N -1 0 345.317 3.701 20 0 EHADRM C[C@H](C(=O)Nc1ccc(CC(=O)[O-])cc1)c1cn(C)c2ccccc12 ZINC001589436342 986751841 /nfs/dbraw/zinc/75/18/41/986751841.db2.gz VLHKAEWSGXAMRZ-ZDUSSCGKSA-N -1 0 336.391 3.548 20 0 EHADRM CCOc1ccc(NC(=O)/C=C(\C)c2ccccc2)c(C(=O)[O-])c1F ZINC001597111149 986761495 /nfs/dbraw/zinc/76/14/95/986761495.db2.gz BLVLAEOBFOLUJI-VAWYXSNFSA-N -1 0 343.354 3.965 20 0 EHADRM CCOc1ccc(NC(=O)CCc2ccc(F)cc2)c(C(=O)[O-])c1F ZINC001597111902 986772110 /nfs/dbraw/zinc/77/21/10/986772110.db2.gz NKOJIWNMNACAFJ-UHFFFAOYSA-N -1 0 349.333 3.633 20 0 EHADRM CCOc1ccc(N[C@H](C)c2ccccc2OCC(=O)[O-])c(F)c1 ZINC001597122869 986821595 /nfs/dbraw/zinc/82/15/95/986821595.db2.gz HREBTDKTCGFLDP-GFCCVEGCSA-N -1 0 333.359 3.861 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1cccc2cc(O)ccc21)c1ccccc1 ZINC001589463008 986922155 /nfs/dbraw/zinc/92/21/55/986922155.db2.gz XNMLNMMPEGTRCV-DJJJIMSYSA-N -1 0 349.386 3.737 20 0 EHADRM CCOc1cccc(/C=C/C(=O)N(CC2CC2)[C@@](C)(CC)C(=O)[O-])c1 ZINC001597150267 986926499 /nfs/dbraw/zinc/92/64/99/986926499.db2.gz PSXSXGMEIWMZMY-SGWGQVFISA-N -1 0 345.439 3.590 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1sccc1C1CC1)c1ccccc1 ZINC001589469926 986949542 /nfs/dbraw/zinc/94/95/42/986949542.db2.gz RBILTWXQIVTIJG-IAQYHMDHSA-N -1 0 329.421 3.817 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)CC1(CSc2ccccc2)CC1)C1CCC1 ZINC001589472095 986964198 /nfs/dbraw/zinc/96/41/98/986964198.db2.gz MZELLQMPXFYEBA-AWEZNQCLSA-N -1 0 347.480 3.803 20 0 EHADRM C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1Cc1cc(C(=O)[O-])no1 ZINC001594666392 986965834 /nfs/dbraw/zinc/96/58/34/986965834.db2.gz VHDNLCDNQSONPX-MRVPVSSYSA-N -1 0 341.194 3.799 20 0 EHADRM C[C@H]1c2ccccc2CCN1c1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001594668984 986976617 /nfs/dbraw/zinc/97/66/17/986976617.db2.gz WRKIHRFDNXTDOQ-JTQLQIEISA-N -1 0 336.313 3.922 20 0 EHADRM C/C=C\COc1cccc(CC(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC001594689722 987078184 /nfs/dbraw/zinc/07/81/84/987078184.db2.gz VYJALKRFLVKGLO-IHWYPQMZSA-N -1 0 331.393 3.582 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2CCC[C@H](C3CCC3)C2)cc1 ZINC001589509787 987132909 /nfs/dbraw/zinc/13/29/09/987132909.db2.gz QSLXECLGZNQRKQ-BBRMVZONSA-N -1 0 330.428 3.919 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NC[C@H]2CC(C)(C)OC2(C)C)cc1 ZINC001589512264 987148601 /nfs/dbraw/zinc/14/86/01/987148601.db2.gz JGAQBKCWKIUMJF-TZMCWYRMSA-N -1 0 348.443 3.590 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cncnc2-c2ccccc2)cc1 ZINC001589521024 987163875 /nfs/dbraw/zinc/16/38/75/987163875.db2.gz GOOPQYJHEMBIAR-ZDUSSCGKSA-N -1 0 347.374 3.584 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2nc(C(C)(C)C)cs2)cc1 ZINC001589521241 987165519 /nfs/dbraw/zinc/16/55/19/987165519.db2.gz KWVPDYHHSZUEPA-JTQLQIEISA-N -1 0 332.425 3.881 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2ncc(C(F)(F)F)s2)cc1 ZINC001589521667 987168852 /nfs/dbraw/zinc/16/88/52/987168852.db2.gz RQSBZSXOYQTTCJ-ZETCQYMHSA-N -1 0 344.314 3.602 20 0 EHADRM CCC(=O)c1ccc(C(=O)OCc2c(F)cc(C(=O)[O-])cc2F)cc1 ZINC001594716775 987190197 /nfs/dbraw/zinc/19/01/97/987190197.db2.gz FBIAHJXUFXIHPW-UHFFFAOYSA-N -1 0 348.301 3.613 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)CCc2ccc3[nH]ccc3c2)c1 ZINC001589533214 987223601 /nfs/dbraw/zinc/22/36/01/987223601.db2.gz JIPADTRTWRPDAY-ZDUSSCGKSA-N -1 0 336.391 3.927 20 0 EHADRM C[C@@H](C(=O)O[C@@H](Cc1ccccc1)C(=O)[O-])c1ccc(Cl)s1 ZINC001589540757 987247620 /nfs/dbraw/zinc/24/76/20/987247620.db2.gz QXMLQQMHBSYGDJ-PWSUYJOCSA-N -1 0 338.812 3.744 20 0 EHADRM C[C@H](C(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21)c1cccnc1 ZINC001589543629 987261323 /nfs/dbraw/zinc/26/13/23/987261323.db2.gz RAQLBTSQCSGGEG-SJCJKPOMSA-N -1 0 325.364 3.504 20 0 EHADRM C[C@H](C(=O)O[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC001589544049 987264082 /nfs/dbraw/zinc/26/40/82/987264082.db2.gz VNPSWJZORLOMKQ-JKOKRWQUSA-N -1 0 344.329 3.996 20 0 EHADRM CC[C@@H](C(=O)Nc1cc(C(=O)[O-])cc(OC)c1O)C1CCC(C)CC1 ZINC001594735925 987273053 /nfs/dbraw/zinc/27/30/53/987273053.db2.gz RERIDYJUXOLSBC-ORHYLEIMSA-N -1 0 349.427 3.890 20 0 EHADRM CCSCc1ccc(NC(=O)NC[C@@H](CC(=O)[O-])C2CC2)cc1 ZINC001597264901 987292803 /nfs/dbraw/zinc/29/28/03/987292803.db2.gz CDJKLXKXQVKZJZ-CQSZACIVSA-N -1 0 336.457 3.562 20 0 EHADRM CCSCc1ccccc1C(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC001597264911 987292840 /nfs/dbraw/zinc/29/28/40/987292840.db2.gz CSSACXSZTTYCJG-UHFFFAOYSA-N -1 0 341.432 3.841 20 0 EHADRM CCSc1ccccc1C(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001597279112 987339946 /nfs/dbraw/zinc/33/99/46/987339946.db2.gz DCTSRVLIBFVJNU-UHFFFAOYSA-N -1 0 341.432 3.695 20 0 EHADRM CCSc1ccccc1C(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC001597279866 987346068 /nfs/dbraw/zinc/34/60/68/987346068.db2.gz QJYZYBPPCWBABR-UHFFFAOYSA-N -1 0 341.432 3.695 20 0 EHADRM CC(C)(C(=O)Nc1ccc(F)c(C(=O)[O-])c1F)c1cccc(F)c1 ZINC001589576658 987355588 /nfs/dbraw/zinc/35/55/88/987355588.db2.gz QAGQWUSIPQFCHD-UHFFFAOYSA-N -1 0 337.297 3.718 20 0 EHADRM CC[C@@H]1C[C@H]1C(=O)N(C)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001597297478 987398921 /nfs/dbraw/zinc/39/89/21/987398921.db2.gz LVUACXMJMZDMMO-ZDSQKVDBSA-N -1 0 330.211 3.624 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)N1CCC2(CCC2)CC1)c1ccccc1 ZINC001589594462 987411527 /nfs/dbraw/zinc/41/15/27/987411527.db2.gz OZVXTUOWIDNZRW-MRXNPFEDSA-N -1 0 344.455 3.814 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)NC[C@H]2CCC=CCCC2)C1 ZINC001589610334 987457752 /nfs/dbraw/zinc/45/77/52/987457752.db2.gz QBULRDWZBITKEW-JKSUJKDBSA-N -1 0 336.476 3.655 20 0 EHADRM CC(C)(C(=O)[O-])N(Cc1ccccc1)C(=O)CCc1ccsc1 ZINC001589617382 987493443 /nfs/dbraw/zinc/49/34/43/987493443.db2.gz ZTEBPLIWGRGIDF-UHFFFAOYSA-N -1 0 331.437 3.573 20 0 EHADRM CC[C@H]1CC[C@H](C(=O)N[C@H](Cc2cc3ccccc3o2)C(=O)[O-])CC1 ZINC001597355440 987501550 /nfs/dbraw/zinc/50/15/50/987501550.db2.gz FUNGUZSJEASCPK-CKEIUWERSA-N -1 0 343.423 3.761 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)/C=C\c2ccc(C=O)cc2)cc1 ZINC001589634029 987548539 /nfs/dbraw/zinc/54/85/39/987548539.db2.gz OCHQJZFLZJOUHH-GHXNOFRVSA-N -1 0 337.375 3.513 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)/C=C/COc2ccccc2)cc1 ZINC001589634107 987549570 /nfs/dbraw/zinc/54/95/70/987549570.db2.gz SIRGYHUCBNBEFK-RMKNXTFCSA-N -1 0 339.391 3.623 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N2CC[C@H]2C2CCCC2)cc1 ZINC001589636205 987551950 /nfs/dbraw/zinc/55/19/50/987551950.db2.gz HGZHHOMVMRYFGA-INIZCTEOSA-N -1 0 330.428 3.845 20 0 EHADRM CCc1[nH]c(C(=O)NCc2cccc(C(C)C)c2)c(C)c1C(=O)[O-] ZINC001597369481 987553849 /nfs/dbraw/zinc/55/38/49/987553849.db2.gz WJKWWSPPHXHYBN-UHFFFAOYSA-N -1 0 328.412 3.637 20 0 EHADRM O=C(c1c([O-])cc(Cl)cc1Cl)N1CCC[C@H](OC2CCC2)C1 ZINC000655282790 1015317461 /nfs/dbraw/zinc/31/74/61/1015317461.db2.gz VGIFUPMLVUAEBF-LBPRGKRZSA-N -1 0 344.238 3.873 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(NC(=O)C/C=C/c2ccc(F)cc2)n1 ZINC001589648824 987583203 /nfs/dbraw/zinc/58/32/03/987583203.db2.gz CWDQOPRNVRDKSN-ONEGZZNKSA-N -1 0 348.399 3.686 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)C2CCC(F)(F)CC2)c1 ZINC001589651087 987601290 /nfs/dbraw/zinc/60/12/90/987601290.db2.gz VLZHURGIWPDROA-UHFFFAOYSA-N -1 0 326.339 3.780 20 0 EHADRM CCc1[nH]c(CN2CCc3ccc(Cl)c(C)c3C2)cc1C(=O)[O-] ZINC001597386471 987604981 /nfs/dbraw/zinc/60/49/81/987604981.db2.gz LKIVREXWFWQQBH-UHFFFAOYSA-N -1 0 332.831 3.795 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(NC(=O)c2ccc(Cl)cc2F)n1 ZINC001589657124 987627800 /nfs/dbraw/zinc/62/78/00/987627800.db2.gz PCHUOYDOEBHSBH-UHFFFAOYSA-N -1 0 342.779 3.550 20 0 EHADRM CC(C)(C(=O)[O-])n1cc(NC(=O)c2ccc(C3=CCCC3)cc2)cn1 ZINC001589670147 987663219 /nfs/dbraw/zinc/66/32/19/987663219.db2.gz VNHJRIYUDIHZPP-UHFFFAOYSA-N -1 0 339.395 3.522 20 0 EHADRM CC(C)(C(=O)OCc1nc(C(=O)[O-])cs1)c1cccc(Cl)c1 ZINC001589680964 987708811 /nfs/dbraw/zinc/70/88/11/987708811.db2.gz KGKJXBFHFYGBSG-UHFFFAOYSA-N -1 0 339.800 3.516 20 0 EHADRM CC(C)(C)C(=O)COC(=O)c1ccc(-c2ccc(C(=O)[O-])cc2)cc1 ZINC001589685640 987727036 /nfs/dbraw/zinc/72/70/36/987727036.db2.gz BPTMBXWEVKKZGZ-UHFFFAOYSA-N -1 0 340.375 3.824 20 0 EHADRM CC(C)(C)C(=O)CCCC(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1 ZINC001589686063 987730229 /nfs/dbraw/zinc/73/02/29/987730229.db2.gz LZJQFVVCUKTWFY-OAHLLOKOSA-N -1 0 339.476 3.559 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)CCc1ccc(F)c2ccccc12 ZINC001589699808 987787632 /nfs/dbraw/zinc/78/76/32/987787632.db2.gz GYCGWJWUIWWTBF-QGZVFWFLSA-N -1 0 345.414 3.917 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)CCCCCc1cccs1 ZINC001589700399 987790857 /nfs/dbraw/zinc/79/08/57/987790857.db2.gz KTSNSSNLFUAXIS-AWEZNQCLSA-N -1 0 325.474 3.857 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)/C(=C\c1ccccc1)C(F)(F)F ZINC001589700496 987791880 /nfs/dbraw/zinc/79/18/80/987791880.db2.gz MVWCWKYPHKNVFM-CNELAYHGSA-N -1 0 343.345 3.638 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC001589702320 987797462 /nfs/dbraw/zinc/79/74/62/987797462.db2.gz CCZDJTFBAVKCIC-JTQLQIEISA-N -1 0 348.230 3.587 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)[C@@H](C)CSC(F)(F)F)s1 ZINC001597440254 987798410 /nfs/dbraw/zinc/79/84/10/987798410.db2.gz BUAVMUXXWMRCBI-LURJTMIESA-N -1 0 341.376 3.836 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)Nc1cc(-c2ccccc2)ns1 ZINC001589702910 987804081 /nfs/dbraw/zinc/80/40/81/987804081.db2.gz RGNAGAPHQDLAKH-CYBMUJFWSA-N -1 0 347.440 3.821 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)C(F)(F)c1ccccc1OC ZINC001597449376 987832384 /nfs/dbraw/zinc/83/23/84/987832384.db2.gz BVWIVDWISOSEIB-UHFFFAOYSA-N -1 0 349.333 3.686 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)COc1c(C)cc(C)cc1C ZINC001597451910 987845500 /nfs/dbraw/zinc/84/55/00/987845500.db2.gz KYBQDODDGMVARX-UHFFFAOYSA-N -1 0 341.407 3.890 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)CSc1ccc(OC)cc1 ZINC001597452653 987850385 /nfs/dbraw/zinc/85/03/85/987850385.db2.gz VBEDOYHFXBKNOW-UHFFFAOYSA-N -1 0 345.420 3.687 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@@H]1c1ccncc1 ZINC001597453312 987854340 /nfs/dbraw/zinc/85/43/40/987854340.db2.gz OFHRBEDLEVLKEW-QGZVFWFLSA-N -1 0 339.395 3.711 20 0 EHADRM CC(C)(C)[C@H](NC(=O)NCc1cc(C(=O)[O-])co1)c1ccccc1 ZINC001589716855 987862362 /nfs/dbraw/zinc/86/23/62/987862362.db2.gz RXQRJQZAVITLLR-OAHLLOKOSA-N -1 0 330.384 3.564 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NC1(C(F)F)CCCC1 ZINC001597457273 987872744 /nfs/dbraw/zinc/87/27/44/987872744.db2.gz UCNSSUXTGSAQCH-UHFFFAOYSA-N -1 0 326.343 3.647 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@H]1CCc2c1cccc2F ZINC001597463811 987893880 /nfs/dbraw/zinc/89/38/80/987893880.db2.gz FDYKCSVYJMXGCE-KRWDZBQOSA-N -1 0 342.370 3.895 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1ncc(C(F)(F)F)s1 ZINC001597466497 987914275 /nfs/dbraw/zinc/91/42/75/987914275.db2.gz WDELGBHDIAEKSS-UHFFFAOYSA-N -1 0 344.314 3.675 20 0 EHADRM CCc1cc(CCCSc2nc3ccc(C(=O)[O-])cc3o2)on1 ZINC001597471156 987929213 /nfs/dbraw/zinc/92/92/13/987929213.db2.gz RXYAUNPDLRCKBS-UHFFFAOYSA-N -1 0 332.381 3.801 20 0 EHADRM CCc1cc(C)cc(CC)c1NC(=O)c1c(C)coc1CC(=O)[O-] ZINC001597471571 987937247 /nfs/dbraw/zinc/93/72/47/987937247.db2.gz UUOWEJMUCZLONP-UHFFFAOYSA-N -1 0 329.396 3.901 20 0 EHADRM CS[C@H]1CC[C@H](N(C)C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC001599788145 987959766 /nfs/dbraw/zinc/95/97/66/987959766.db2.gz OHRPYXBQQDWGEM-YHUYYLMFSA-N -1 0 348.468 3.623 20 0 EHADRM CCc1cc(Cl)c(Cl)cc1OC(=O)c1csc(C(=O)[O-])n1 ZINC001597478694 987965196 /nfs/dbraw/zinc/96/51/96/987965196.db2.gz SCQSBBPJJQABJB-UHFFFAOYSA-N -1 0 346.191 3.930 20 0 EHADRM CC(C)(C)[C@@H]1CCCN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC001589732922 987971531 /nfs/dbraw/zinc/97/15/31/987971531.db2.gz SQKVTFCBENMMFK-CQSZACIVSA-N -1 0 348.443 3.830 20 0 EHADRM CCc1cc(O)ccc1NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001597482535 987979808 /nfs/dbraw/zinc/97/98/08/987979808.db2.gz KYMWVQARZWCGFE-UHFFFAOYSA-N -1 0 334.759 3.950 20 0 EHADRM CCc1cc(OCC(=O)Nc2ccc(CC(=O)[O-])cc2)ccc1Cl ZINC001597487601 987993971 /nfs/dbraw/zinc/99/39/71/987993971.db2.gz OAOONBBJSBBWLN-UHFFFAOYSA-N -1 0 347.798 3.547 20 0 EHADRM CC(C)(C)CC(=O)COc1ccc(C(=O)[O-])cc1Br ZINC001589738859 988007641 /nfs/dbraw/zinc/00/76/41/988007641.db2.gz XOEGVKLLFBHCRJ-UHFFFAOYSA-N -1 0 329.190 3.531 20 0 EHADRM CC(C)(C)CC(C)(C)NC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001589742090 988016666 /nfs/dbraw/zinc/01/66/66/988016666.db2.gz MDGZSBKFEZXGTC-UHFFFAOYSA-N -1 0 332.404 3.597 20 0 EHADRM CC(C)(C)C[C@H](Sc1n[nH]c(-c2cc(F)cc(F)c2)n1)C(=O)[O-] ZINC001589761766 988091717 /nfs/dbraw/zinc/09/17/17/988091717.db2.gz KGMIVVULAQVMHO-NSHDSACASA-N -1 0 341.383 3.731 20 0 EHADRM CC(C)(C)CN(C(=O)CCc1ccc(C(=O)[O-])cc1)c1ccccn1 ZINC001589780243 988149381 /nfs/dbraw/zinc/14/93/81/988149381.db2.gz UWKJIAHKLAPEHW-UHFFFAOYSA-N -1 0 340.423 3.792 20 0 EHADRM CCc1ccc(F)cc1C(=O)Nc1ncc(C(=O)[O-])c2ccccc21 ZINC001597530790 988188783 /nfs/dbraw/zinc/18/87/83/988188783.db2.gz OOWRYRDCQLTKPM-UHFFFAOYSA-N -1 0 338.338 3.887 20 0 EHADRM CCc1ccc(NC(=O)CC[C@H]2CC2(Cl)Cl)c(C(=O)[O-])c1 ZINC001597542731 988232797 /nfs/dbraw/zinc/23/27/97/988232797.db2.gz JBXIYNZWDWNIOK-JTQLQIEISA-N -1 0 330.211 3.860 20 0 EHADRM CCc1ccc(NC(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)cc1 ZINC001597547492 988260499 /nfs/dbraw/zinc/26/04/99/988260499.db2.gz IZBWXCXBIOLCFO-UHFFFAOYSA-N -1 0 342.370 3.677 20 0 EHADRM CCc1ccc(NC(=O)c2cnc3c(F)cccc3c2)c(C(=O)[O-])c1 ZINC001597550446 988267613 /nfs/dbraw/zinc/26/76/13/988267613.db2.gz BNQVNUSHRFTIJF-UHFFFAOYSA-N -1 0 338.338 3.887 20 0 EHADRM CCc1ccc(NC(=S)N(C)Cc2cc(C(=O)[O-])c(C)o2)cc1 ZINC001597551428 988275106 /nfs/dbraw/zinc/27/51/06/988275106.db2.gz GHICPXZZRQGCNZ-UHFFFAOYSA-N -1 0 332.425 3.677 20 0 EHADRM CSc1cc(C(=O)Nc2sc(C)cc2C(=O)[O-])ccc1F ZINC001599807226 988275124 /nfs/dbraw/zinc/27/51/24/988275124.db2.gz KNMCAPWARBMYDX-UHFFFAOYSA-N -1 0 325.386 3.868 20 0 EHADRM CCc1ccc(NCC(=O)Nc2ccccc2CC)c(C(=O)[O-])c1 ZINC001597551764 988277181 /nfs/dbraw/zinc/27/71/81/988277181.db2.gz MLNDGGCDPJZESY-UHFFFAOYSA-N -1 0 326.396 3.560 20 0 EHADRM CSc1cc(C(=O)Oc2ccc3c(c2)c(C(=O)[O-])c(C)n3C)co1 ZINC001599808721 988298434 /nfs/dbraw/zinc/29/84/34/988298434.db2.gz OXKNSLKLXGNPME-UHFFFAOYSA-N -1 0 345.376 3.719 20 0 EHADRM CSc1cc(F)ccc1NC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C ZINC001599809122 988302926 /nfs/dbraw/zinc/30/29/26/988302926.db2.gz SUHXJBUFYWTRHP-LBPRGKRZSA-N -1 0 328.409 3.559 20 0 EHADRM CSc1ccc(C(=O)O[C@@H](C(=O)[O-])c2c(F)cccc2Cl)o1 ZINC001599810490 988326082 /nfs/dbraw/zinc/32/60/82/988326082.db2.gz ZNCXDPMYTATYNF-GFCCVEGCSA-N -1 0 344.747 3.777 20 0 EHADRM CCc1ccc2occ(C(=O)N(C)[C@H](C(=O)[O-])c3ccccc3)c2c1 ZINC001597570703 988349407 /nfs/dbraw/zinc/34/94/07/988349407.db2.gz YXZBWHYFTBWXAW-SFHVURJKSA-N -1 0 337.375 3.893 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)Cn1cc(C)c2ccccc21 ZINC001597571882 988353244 /nfs/dbraw/zinc/35/32/44/988353244.db2.gz HZQDHBXPVGSEIE-UHFFFAOYSA-N -1 0 336.391 3.849 20 0 EHADRM CSc1ccc(/C=C/C(=O)N(C)C2(C(=O)[O-])CCCCC2)s1 ZINC001599813152 988373443 /nfs/dbraw/zinc/37/34/43/988373443.db2.gz SVHDZTQTAWNDKF-SOFGYWHQSA-N -1 0 339.482 3.729 20 0 EHADRM CCc1cccc(C)c1NC(=O)CNc1ccc(F)c(C(=O)[O-])c1C ZINC001597578471 988373507 /nfs/dbraw/zinc/37/35/07/988373507.db2.gz GRGPNMKUYRIXOJ-UHFFFAOYSA-N -1 0 344.386 3.754 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001599814858 988403424 /nfs/dbraw/zinc/40/34/24/988403424.db2.gz WNURPAPKUFMAKJ-GXSJLCMTSA-N -1 0 342.848 3.827 20 0 EHADRM CSc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1C(=O)[O-] ZINC001599816243 988429095 /nfs/dbraw/zinc/42/90/95/988429095.db2.gz RQKIFAALFBJMOX-ZIAGYGMSSA-N -1 0 345.395 3.988 20 0 EHADRM CCc1cccc(NC(=O)N[C@@](C)(CC(=O)[O-])c2cccc(F)c2)c1 ZINC001597595269 988440087 /nfs/dbraw/zinc/44/00/87/988440087.db2.gz LVHROJSFACSQLZ-IBGZPJMESA-N -1 0 344.386 3.900 20 0 EHADRM CCc1cccc(NC(=O)N[C@](C)(CC(=O)[O-])c2cccc(F)c2)c1 ZINC001597595270 988440243 /nfs/dbraw/zinc/44/02/43/988440243.db2.gz LVHROJSFACSQLZ-LJQANCHMSA-N -1 0 344.386 3.900 20 0 EHADRM CSc1ccc(NC(=O)c2ccc(C(C)=O)c(C)c2)cc1C(=O)[O-] ZINC001599816891 988441711 /nfs/dbraw/zinc/44/17/11/988441711.db2.gz DUQJWDOFOZSHFG-UHFFFAOYSA-N -1 0 343.404 3.870 20 0 EHADRM CCc1cccc2c1N(CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)CCC2 ZINC001597603234 988461939 /nfs/dbraw/zinc/46/19/39/988461939.db2.gz OJCFFEJGPRLJBX-UHFFFAOYSA-N -1 0 340.423 3.528 20 0 EHADRM CCc1ccccc1NC(=O)[C@@H](C)Oc1cc(C(=O)[O-])cc(F)c1C ZINC001597612308 988514489 /nfs/dbraw/zinc/51/44/89/988514489.db2.gz WOZKAOHIGZGZEW-GFCCVEGCSA-N -1 0 345.370 3.801 20 0 EHADRM CCc1ccccc1NC(=O)CNc1ccc(Cl)c(C(=O)[O-])c1 ZINC001597614655 988521891 /nfs/dbraw/zinc/52/18/91/988521891.db2.gz HLBOIKVUMBIGEJ-UHFFFAOYSA-N -1 0 332.787 3.651 20 0 EHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1c(F)cccc1C(=O)[O-] ZINC001597621297 988546534 /nfs/dbraw/zinc/54/65/34/988546534.db2.gz JBXCOBZAOBIZJO-LSDHHAIUSA-N -1 0 327.355 3.829 20 0 EHADRM CSc1ccccc1C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1 ZINC001599823602 988557611 /nfs/dbraw/zinc/55/76/11/988557611.db2.gz ZJRCEKHRYOUVPZ-UHFFFAOYSA-N -1 0 334.422 3.693 20 0 EHADRM CCc1ccnc(C(=O)Oc2cccc3c(CC(=O)[O-])cccc23)c1 ZINC001597622986 988566165 /nfs/dbraw/zinc/56/61/65/988566165.db2.gz HXXXPCMTSSMXHG-UHFFFAOYSA-N -1 0 335.359 3.644 20 0 EHADRM CSc1cccc(NC(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001599824596 988575793 /nfs/dbraw/zinc/57/57/93/988575793.db2.gz GSOWCALRCNFKIV-OAHLLOKOSA-N -1 0 348.399 3.538 20 0 EHADRM CCc1cnccc1C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC001597633562 988607632 /nfs/dbraw/zinc/60/76/32/988607632.db2.gz FNGXXPJVSJSNMT-IBGZPJMESA-N -1 0 348.402 3.743 20 0 EHADRM CCc1csc(CC(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)n1 ZINC001597638487 988623645 /nfs/dbraw/zinc/62/36/45/988623645.db2.gz DWMJYAMKEGMGSX-UHFFFAOYSA-N -1 0 340.404 3.738 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@](C)(C(=O)[O-])C1)c1ccc2c(c1)CCCC2 ZINC001599838593 988785236 /nfs/dbraw/zinc/78/52/36/988785236.db2.gz MCVNNOKBLDRZMX-VLIAUNLRSA-N -1 0 344.455 3.523 20 0 EHADRM C[C@@H](NC(=O)c1c[nH]c(C(=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC001599839912 988808516 /nfs/dbraw/zinc/80/85/16/988808516.db2.gz UQQXLMQODBMAPK-SSDOTTSWSA-N -1 0 327.167 3.511 20 0 EHADRM C[C@@H](NC(=O)Nc1cc(C(=O)[O-])cnc1Cl)C1CCCCCC1 ZINC001599840071 988810642 /nfs/dbraw/zinc/81/06/42/988810642.db2.gz AHDKLYYEAOAVHY-SNVBAGLBSA-N -1 0 339.823 3.914 20 0 EHADRM C[C@@H](Nc1ncc(C(=O)[O-])cc1C(F)(F)F)c1cccc(O)c1 ZINC001599842444 988867207 /nfs/dbraw/zinc/86/72/07/988867207.db2.gz NXADBHUCPZMLAA-MRVPVSSYSA-N -1 0 326.274 3.677 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)[C@H](C)C1 ZINC001599848468 988973561 /nfs/dbraw/zinc/97/35/61/988973561.db2.gz MIFGSVYTJUYDGE-RKDXNWHRSA-N -1 0 328.771 3.830 20 0 EHADRM CCc1nocc1C(=O)O[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001597755124 989166717 /nfs/dbraw/zinc/16/67/17/989166717.db2.gz VPDKXMMMRSSTBY-GFCCVEGCSA-N -1 0 344.150 3.527 20 0 EHADRM CCc1oc(-c2nc3ccccc3n2[C@@H](C)COC)cc1C(=O)[O-] ZINC001597761141 989186885 /nfs/dbraw/zinc/18/68/85/989186885.db2.gz XAVGRTBREWGMQT-NSHDSACASA-N -1 0 328.368 3.764 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(Oc3ccccc3)cc2)C[C@H]1CC(=O)[O-] ZINC001599863591 989208117 /nfs/dbraw/zinc/20/81/17/989208117.db2.gz RFDJSFYLMLQNMR-GDBMZVCRSA-N -1 0 339.391 3.662 20 0 EHADRM CC(C)(C)OC(=O)N1Cc2ccc(N[C@H]3CC[C@@H](C(=O)[O-])C3)cc2C1 ZINC001590105365 989255541 /nfs/dbraw/zinc/25/55/41/989255541.db2.gz GOBRGYUMHMSEPK-DOMZBBRYSA-N -1 0 346.427 3.603 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)C1(c2ccccc2)CCCCCC1 ZINC001599883074 989511641 /nfs/dbraw/zinc/51/16/41/989511641.db2.gz VTEAKBCOKAPAKO-IBGZPJMESA-N -1 0 329.440 3.744 20 0 EHADRM CCn1c(C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)cc2ccccc21 ZINC001597841361 989542408 /nfs/dbraw/zinc/54/24/08/989542408.db2.gz ZRLLONKVHSUASH-QGZVFWFLSA-N -1 0 341.338 3.783 20 0 EHADRM CCn1c2ccccc2nc1S[C@@H](C(=O)[O-])c1cccc(OC)c1 ZINC001597861589 989637351 /nfs/dbraw/zinc/63/73/51/989637351.db2.gz ARDBUFVUSSZXAR-MRXNPFEDSA-N -1 0 342.420 3.983 20 0 EHADRM CCn1c(SCC2(C(=O)[O-])CC2)nnc1-c1ccc(Cl)cc1 ZINC001597864696 989650130 /nfs/dbraw/zinc/65/01/30/989650130.db2.gz NDTFVDOQTINDAR-UHFFFAOYSA-N -1 0 337.832 3.575 20 0 EHADRM CCn1cc(C(=O)NCCCCC2(C(=O)[O-])CCC2)c2ccccc21 ZINC001597876401 989691329 /nfs/dbraw/zinc/69/13/29/989691329.db2.gz BQGWULQVRLFKBG-UHFFFAOYSA-N -1 0 342.439 3.816 20 0 EHADRM CCn1ccc(C(=O)Nc2ccc(OC(C)C)cc2C(=O)[O-])c1C ZINC001597902246 989776485 /nfs/dbraw/zinc/77/64/85/989776485.db2.gz HWPVFVYVFQADKJ-UHFFFAOYSA-N -1 0 330.384 3.554 20 0 EHADRM CCn1cnnc1S[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001597926757 989867516 /nfs/dbraw/zinc/86/75/16/989867516.db2.gz FTBZEAILFSNFSL-SNVBAGLBSA-N -1 0 332.212 3.523 20 0 EHADRM CCn1nc(NC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)cc1C1CC1 ZINC001597947373 989939944 /nfs/dbraw/zinc/93/99/44/989939944.db2.gz ODXWRYOMGGCQAV-NSHDSACASA-N -1 0 342.399 3.613 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)NCC2(C(=O)[O-])CCCCC2)c1 ZINC001590416268 989956034 /nfs/dbraw/zinc/95/60/34/989956034.db2.gz JHIMHVCQWFLZGS-UHFFFAOYSA-N -1 0 333.428 3.629 20 0 EHADRM CC(C)(C)Oc1cccc(COC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC001590419843 989961908 /nfs/dbraw/zinc/96/19/08/989961908.db2.gz JBFVIRNIDIMSGU-CABCVRRESA-N -1 0 334.412 3.798 20 0 EHADRM CC(C)(C)[C@H](NC(=O)[C@H](OCC1CCCC1)c1ccccc1)C(=O)[O-] ZINC001590435596 989998805 /nfs/dbraw/zinc/99/88/05/989998805.db2.gz TWIPIZJCZIQJPJ-IAGOWNOFSA-N -1 0 347.455 3.550 20 0 EHADRM CC(C)(C)c1cc(C(=O)NCCCCC(=O)[O-])c(O)c(C(C)(C)C)c1 ZINC001590454437 990022383 /nfs/dbraw/zinc/02/23/83/990022383.db2.gz XWCUMKWHDVSLQH-UHFFFAOYSA-N -1 0 349.471 3.972 20 0 EHADRM CC(C)(C)c1cc2n(n1)CCN(Cc1ccc(C(=O)[O-])c(Cl)c1)C2 ZINC001590472405 990044841 /nfs/dbraw/zinc/04/48/41/990044841.db2.gz PGRRICBLZQQYMP-UHFFFAOYSA-N -1 0 347.846 3.548 20 0 EHADRM CC(C)(C)c1ccc(C2(CNC(=O)C3(C(=O)[O-])CC3)CCCC2)cc1 ZINC001590480383 990063591 /nfs/dbraw/zinc/06/35/91/990063591.db2.gz SRCJAPMMNVIQFI-UHFFFAOYSA-N -1 0 343.467 3.777 20 0 EHADRM CC(C)(C)c1ccc(CCNC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1 ZINC001590484711 990078781 /nfs/dbraw/zinc/07/87/81/990078781.db2.gz CTKBSXJVBCSGRX-UHFFFAOYSA-N -1 0 343.467 3.678 20 0 EHADRM CC(C)(C)c1ccc(CCC(=O)NC[C@H](CC2CC2)C(=O)[O-])cc1 ZINC001590485535 990085331 /nfs/dbraw/zinc/08/53/31/990085331.db2.gz ZGOFTZITPXWIGT-INIZCTEOSA-N -1 0 331.456 3.534 20 0 EHADRM CC(C)(C)c1ccc(CSCC(=O)NC2(C(=O)[O-])CCCC2)cc1 ZINC001590487511 990088163 /nfs/dbraw/zinc/08/81/63/990088163.db2.gz NPLHFIUMWXSKBQ-UHFFFAOYSA-N -1 0 349.496 3.731 20 0 EHADRM CC(C)(C)c1nc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)co1 ZINC001590537438 990154860 /nfs/dbraw/zinc/15/48/60/990154860.db2.gz IXHPVCYUYKPQNF-UHFFFAOYSA-N -1 0 330.384 3.587 20 0 EHADRM CC(C)(C)c1nc(NC(=O)[C@@H]2CCC[C@H](F)C2)sc1C(=O)[O-] ZINC001590542070 990169327 /nfs/dbraw/zinc/16/93/27/990169327.db2.gz NFFQKXUIAPTSDA-BDAKNGLRSA-N -1 0 328.409 3.606 20 0 EHADRM CN(C(=O)CCC(C)(C)c1ccccc1)C1(C(=O)[O-])CCCCC1 ZINC001598010863 990181019 /nfs/dbraw/zinc/18/10/19/990181019.db2.gz XAFNQLBUMOQSAL-UHFFFAOYSA-N -1 0 331.456 3.990 20 0 EHADRM CC(C)(C)c1ncsc1C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001590573493 990212437 /nfs/dbraw/zinc/21/24/37/990212437.db2.gz XGKOQKCLEGCYLQ-UHFFFAOYSA-N -1 0 340.351 3.669 20 0 EHADRM CN(C(=O)Cc1coc2c1ccc(F)c2F)c1ccccc1C(=O)[O-] ZINC001598040417 990269641 /nfs/dbraw/zinc/26/96/41/990269641.db2.gz NPICQGDANHVAMP-UHFFFAOYSA-N -1 0 345.301 3.615 20 0 EHADRM CN(C(=O)N[C@H](c1ccccc1F)C1CCCC1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598049301 990294546 /nfs/dbraw/zinc/29/45/46/990294546.db2.gz MIWXIIFHOMPVBT-VBQJREDUSA-N -1 0 348.418 3.562 20 0 EHADRM CC(C)(CC(=O)N1CCC[C@@]1(C)C(=O)[O-])Cc1ccc(Cl)cc1 ZINC001590616908 990295520 /nfs/dbraw/zinc/29/55/20/990295520.db2.gz TXNDPMOTMDRAPS-SFHVURJKSA-N -1 0 337.847 3.765 20 0 EHADRM CN(C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001598052016 990308605 /nfs/dbraw/zinc/30/86/05/990308605.db2.gz FXAIMTKADAXIDT-BSDSXHPESA-N -1 0 344.455 3.608 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1sc2c(c1C(=O)C1CC1)CCC2 ZINC001590636810 990325736 /nfs/dbraw/zinc/32/57/36/990325736.db2.gz PWIBNQRQQMFYBV-UHFFFAOYSA-N -1 0 349.452 3.659 20 0 EHADRM CN(C(=O)Nc1cccc(SC(F)(F)F)c1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598061746 990335499 /nfs/dbraw/zinc/33/54/99/990335499.db2.gz NPNPWRYCAZXNSM-WAAGHKOSSA-N -1 0 348.346 3.625 20 0 EHADRM CC(C)(CC(=O)Oc1ccc(CC(=O)[O-])cc1F)CC(F)(F)F ZINC001590649098 990336221 /nfs/dbraw/zinc/33/62/21/990336221.db2.gz RIHVQWJREHPJRQ-UHFFFAOYSA-N -1 0 336.281 3.727 20 0 EHADRM CN(C(=O)Nc1cccc(CCC(=O)[O-])c1)[C@H]1CCc2ccccc21 ZINC001598062226 990338206 /nfs/dbraw/zinc/33/82/06/990338206.db2.gz VZDUQFMMSIXWFD-SFHVURJKSA-N -1 0 338.407 3.855 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(F)cc1)c1ccc(Cl)c(F)c1 ZINC000237984227 1015559230 /nfs/dbraw/zinc/55/92/30/1015559230.db2.gz TWLMKMNWIXMGMS-AWEZNQCLSA-N -1 0 339.725 3.564 20 0 EHADRM CC(C)(CNC(=O)C1(Cc2cccs2)CCCCC1)CC(=O)[O-] ZINC001590706132 990449148 /nfs/dbraw/zinc/44/91/48/990449148.db2.gz GORVFURBVISTHS-UHFFFAOYSA-N -1 0 337.485 3.858 20 0 EHADRM CN(C(=O)c1coc2ccc(Cl)cc12)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598103134 990468988 /nfs/dbraw/zinc/46/89/88/990468988.db2.gz KZIWVGUKWWWVAE-MRXNPFEDSA-N -1 0 343.766 3.984 20 0 EHADRM CC(C)(CNC(=O)N[C@@H]1CCc2cccc3cccc1c32)CC(=O)[O-] ZINC001590722438 990496976 /nfs/dbraw/zinc/49/69/76/990496976.db2.gz NPGGWJRBCDARAO-MRXNPFEDSA-N -1 0 340.423 3.627 20 0 EHADRM CC(C)(CNC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)CC(F)F ZINC001590726949 990524269 /nfs/dbraw/zinc/52/42/69/990524269.db2.gz LXRXVXYJEQMSNQ-UHFFFAOYSA-N -1 0 339.342 3.669 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(-c2ccco2)cc1F)CC(=O)[O-] ZINC001590734304 990528167 /nfs/dbraw/zinc/52/81/67/990528167.db2.gz KWGKJZMBVHFDBK-UHFFFAOYSA-N -1 0 334.347 3.708 20 0 EHADRM CC(C)(NC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)C1CCC1 ZINC001590855133 990739711 /nfs/dbraw/zinc/73/97/11/990739711.db2.gz XHQNKDNIAPKHTO-UHFFFAOYSA-N -1 0 328.771 3.878 20 0 EHADRM CC(C)(NCc1c(Cl)cccc1Cl)c1cc(C(=O)[O-])on1 ZINC001590871227 990775919 /nfs/dbraw/zinc/77/59/19/990775919.db2.gz IDSXNWPJCMFGCW-UHFFFAOYSA-N -1 0 329.183 3.705 20 0 EHADRM COc1cccc([C@H](NC(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)C(=O)[O-])c1 ZINC001599685603 990983035 /nfs/dbraw/zinc/98/30/35/990983035.db2.gz VSCDZGKSRNCAMN-IYOUNJFTSA-N -1 0 347.455 3.790 20 0 EHADRM COc1cccc([C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(=O)[O-])c1 ZINC001599686281 990992865 /nfs/dbraw/zinc/99/28/65/990992865.db2.gz GPLRSMMKCPXVJT-KRWDZBQOSA-N -1 0 341.407 3.548 20 0 EHADRM COc1cccc2[nH]c(C(=O)Nc3ccc(C)c(C)c3C(=O)[O-])cc21 ZINC001599687846 991016533 /nfs/dbraw/zinc/01/65/33/991016533.db2.gz ABLUHTLUXZQHBX-UHFFFAOYSA-N -1 0 338.363 3.744 20 0 EHADRM CC(C)[C@@H](C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1cccnc1 ZINC001590957258 991038602 /nfs/dbraw/zinc/03/86/02/991038602.db2.gz SKFJYEMFOZCCJT-OAHLLOKOSA-N -1 0 332.787 3.812 20 0 EHADRM CC(C)[C@@H](C(=O)OCc1c(Cl)cccc1C(=O)[O-])c1cccnc1 ZINC001590960393 991051174 /nfs/dbraw/zinc/05/11/74/991051174.db2.gz CSTXQURATAHCAT-MRXNPFEDSA-N -1 0 347.798 3.916 20 0 EHADRM CC(C)C(C)(C)CNC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001590963370 991064052 /nfs/dbraw/zinc/06/40/52/991064052.db2.gz FQXGBGOFTKYJCU-UHFFFAOYSA-N -1 0 330.787 3.981 20 0 EHADRM CC(C)C(C)(C)[S@@](=O)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001590967874 991087361 /nfs/dbraw/zinc/08/73/61/991087361.db2.gz KTRHTNMYSBDVCV-QHCPKHFHSA-N -1 0 335.425 3.723 20 0 EHADRM CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NC(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001590968308 991089795 /nfs/dbraw/zinc/08/97/95/991089795.db2.gz OSXIMLLSRONIDO-GOSISDBHSA-N -1 0 348.830 3.754 20 0 EHADRM COc1cccc2cc(C(=O)O[C@H](C)c3cc(C(=O)[O-])co3)oc21 ZINC001599692863 991098552 /nfs/dbraw/zinc/09/85/52/991098552.db2.gz QYGCMHOSAQKTER-SECBINFHSA-N -1 0 330.292 3.651 20 0 EHADRM CC(C)[C@@H](CCc1ccccc1)C(=O)OCc1ccc(C(=O)[O-])o1 ZINC001590980554 991132979 /nfs/dbraw/zinc/13/29/79/991132979.db2.gz HNOCJUFGEYJSJC-MRXNPFEDSA-N -1 0 330.380 3.926 20 0 EHADRM COc1ccccc1C(=O)Nc1c2ccc(C)nc2sc1C(=O)[O-] ZINC001599697469 991169765 /nfs/dbraw/zinc/16/97/65/991169765.db2.gz YWOUZSRZGIHCFA-UHFFFAOYSA-N -1 0 342.376 3.564 20 0 EHADRM CC(C)C(CNC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1)C(C)C ZINC001590988317 991182009 /nfs/dbraw/zinc/18/20/09/991182009.db2.gz JKZFYBWJUUEMBC-UHFFFAOYSA-N -1 0 331.416 3.916 20 0 EHADRM C[C@H](NC(=O)N=c1[n-]ncs1)c1ccc(Oc2ccccc2)cc1 ZINC000510135273 1015617442 /nfs/dbraw/zinc/61/74/42/1015617442.db2.gz ZWHIDGSQXLKFCR-LBPRGKRZSA-N -1 0 340.408 3.635 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001590993725 991214289 /nfs/dbraw/zinc/21/42/89/991214289.db2.gz PTUNXEGGUNRBOG-QGZVFWFLSA-N -1 0 326.396 3.774 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)N1CC=C(C(C)(C)C)CC1 ZINC001598294809 991221536 /nfs/dbraw/zinc/22/15/36/991221536.db2.gz NYBVKVXRLYTMQE-UHFFFAOYSA-N -1 0 345.443 3.661 20 0 EHADRM CC(C)[C@H](F)C(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001590996019 991223661 /nfs/dbraw/zinc/22/36/61/991223661.db2.gz GTRQFNBTVAVJLE-ZDUSSCGKSA-N -1 0 333.812 3.839 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)NCCCC1CCCC1 ZINC001598298293 991231254 /nfs/dbraw/zinc/23/12/54/991231254.db2.gz JJDWDHQAPACCKB-UHFFFAOYSA-N -1 0 333.432 3.543 20 0 EHADRM COc1ccccc1C1(C(=O)Nc2ccc(C(=O)[O-])s2)CCC1 ZINC001599702093 991235131 /nfs/dbraw/zinc/23/51/31/991235131.db2.gz HXFJNSWVEPCVTR-UHFFFAOYSA-N -1 0 331.393 3.515 20 0 EHADRM COc1ccccc1CCC(=O)Nc1cccc(C(=O)[O-])c1Cl ZINC001599708969 991338227 /nfs/dbraw/zinc/33/82/27/991338227.db2.gz POTLIBIALBOMSO-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM COc1ccccc1CSCC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001599711811 991383598 /nfs/dbraw/zinc/38/35/98/991383598.db2.gz JQTMPEFAHKXAMJ-UHFFFAOYSA-N -1 0 345.420 3.574 20 0 EHADRM COc1ccccc1Cc1cn(Cc2cc(C(=O)[O-])sc2C)cn1 ZINC001599712166 991389630 /nfs/dbraw/zinc/38/96/30/991389630.db2.gz VXKQTRWGSMEHIN-UHFFFAOYSA-N -1 0 342.420 3.599 20 0 EHADRM COc1ccccc1COC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC001599713202 991406782 /nfs/dbraw/zinc/40/67/82/991406782.db2.gz SWQGMGAVBGQJGS-GFCCVEGCSA-N -1 0 346.404 3.617 20 0 EHADRM CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001591057274 991464527 /nfs/dbraw/zinc/46/45/27/991464527.db2.gz CHSFNIFGFGFHOI-OAHLLOKOSA-N -1 0 334.803 3.836 20 0 EHADRM COc1ccsc1C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001599722501 991563847 /nfs/dbraw/zinc/56/38/47/991563847.db2.gz LHIWCOSVDNZJBG-UHFFFAOYSA-N -1 0 327.361 3.860 20 0 EHADRM CC(C)[C@H]1CCC[C@](NC(=O)CCCC(=O)[O-])(C(F)(F)F)CC1 ZINC001591082493 991598444 /nfs/dbraw/zinc/59/84/44/991598444.db2.gz SKWQBSLBIUMZIR-SWLSCSKDSA-N -1 0 337.382 3.895 20 0 EHADRM CC(C)[C@H]1CCCCN1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001591087855 991613954 /nfs/dbraw/zinc/61/39/54/991613954.db2.gz BJOYEEJDGOLGQF-MRXNPFEDSA-N -1 0 334.416 3.583 20 0 EHADRM CC(C)[C@H]1CCCCCN1C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001591088417 991621872 /nfs/dbraw/zinc/62/18/72/991621872.db2.gz INSLJSHXXVYIJS-QGZVFWFLSA-N -1 0 342.439 3.767 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2N(C)C)[C@H]1C(C)C ZINC001591093670 991662279 /nfs/dbraw/zinc/66/22/79/991662279.db2.gz YEUGHSJGSOWUSC-YOEHRIQHSA-N -1 0 347.459 3.595 20 0 EHADRM CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001591095469 991681107 /nfs/dbraw/zinc/68/11/07/991681107.db2.gz VZGQWVSBFRWXLW-LULLPPNCSA-N -1 0 343.467 3.953 20 0 EHADRM CC(C)[C@@H]1N(C(=O)Nc2cccc(CCC(=O)[O-])c2)CC12CC=CC2 ZINC001591098656 991703632 /nfs/dbraw/zinc/70/36/32/991703632.db2.gz HOVXINDTEWFABB-SFHVURJKSA-N -1 0 342.439 3.912 20 0 EHADRM CC(C)C[C@@H](C(=O)NCc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC001591117519 991775591 /nfs/dbraw/zinc/77/55/91/991775591.db2.gz CDVLZZXDCUPPJW-OAHLLOKOSA-N -1 0 331.437 3.892 20 0 EHADRM CC(C)C[C@@H](C(=O)Nc1ccc(C(=O)[O-])nn1)c1ccc(Cl)cc1 ZINC001591121684 991796256 /nfs/dbraw/zinc/79/62/56/991796256.db2.gz ZIVFEIALCADVEO-CYBMUJFWSA-N -1 0 347.802 3.597 20 0 EHADRM CC(C)C[C@H](C)OC(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001591138023 991851615 /nfs/dbraw/zinc/85/16/15/991851615.db2.gz OJUIDJQXOHTVLF-SWLSCSKDSA-N -1 0 333.384 3.589 20 0 EHADRM CC(C)C[C@H](C)OC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001591138999 991862396 /nfs/dbraw/zinc/86/23/96/991862396.db2.gz XADWDDJMPZWUDK-BBRMVZONSA-N -1 0 333.428 3.966 20 0 EHADRM CC(C)CC(CC(C)C)NC(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001591142331 991864229 /nfs/dbraw/zinc/86/42/29/991864229.db2.gz APAJLGWOLJPHQC-UHFFFAOYSA-N -1 0 346.471 3.913 20 0 EHADRM CC(C)CC(CC(C)C)C(=O)N1C[C@@H](C(=O)[O-])Cc2ccccc21 ZINC001591143847 991872768 /nfs/dbraw/zinc/87/27/68/991872768.db2.gz WEHGFEXEJOGCEM-KRWDZBQOSA-N -1 0 331.456 3.985 20 0 EHADRM CC(C)C[C@@H](NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1)c1ccccc1 ZINC001591178460 991976115 /nfs/dbraw/zinc/97/61/15/991976115.db2.gz RFGLPVOALDRLQB-HYVNUMGLSA-N -1 0 332.444 3.716 20 0 EHADRM CC(C)C[C@H](Sc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)[O-] ZINC001591191073 992000280 /nfs/dbraw/zinc/00/02/80/992000280.db2.gz MOHJXRDKQWXCKA-NSHDSACASA-N -1 0 326.805 3.580 20 0 EHADRM CC(C)C[C@@H](Sc1nnc(NC2CCCCC2)s1)C(=O)[O-] ZINC001591191195 992001124 /nfs/dbraw/zinc/00/11/24/992001124.db2.gz SLNMRDCWBDEYFZ-LLVKDONJSA-N -1 0 329.491 3.874 20 0 EHADRM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001591220778 992081905 /nfs/dbraw/zinc/08/19/05/992081905.db2.gz CHZVOUBXQFPMOE-IXDOHACOSA-N -1 0 338.492 3.878 20 0 EHADRM CC(C)CC[C@H](NC(=O)NC[C@H](CC(=O)[O-])C1CC1)C(C)(C)C ZINC001591221804 992089230 /nfs/dbraw/zinc/08/92/30/992089230.db2.gz PAKIKKXLDZQQJY-GJZGRUSLSA-N -1 0 326.481 3.637 20 0 EHADRM CC(C)CCC[C@@H](C)NC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001591229837 992114404 /nfs/dbraw/zinc/11/44/04/992114404.db2.gz WPENSCYZNSCNQT-OXQOHEQNSA-N -1 0 346.471 3.639 20 0 EHADRM CC(C)CCC[C@H](C)NC(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001591229856 992114418 /nfs/dbraw/zinc/11/44/18/992114418.db2.gz XNXVDEHKLAARRA-AWEZNQCLSA-N -1 0 332.444 3.667 20 0 EHADRM CC(C)CCCCNC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC001591236813 992119797 /nfs/dbraw/zinc/11/97/97/992119797.db2.gz PLOKCOLFQRPWJP-UHFFFAOYSA-N -1 0 342.823 3.751 20 0 EHADRM CC(C)CCCCNC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001591237039 992120920 /nfs/dbraw/zinc/12/09/20/992120920.db2.gz VFWUXLFTOILKSO-UHFFFAOYSA-N -1 0 338.473 3.952 20 0 EHADRM CC(C)CCN(CCC(C)C)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001591245525 992137278 /nfs/dbraw/zinc/13/72/78/992137278.db2.gz UOLOIOUCSJGXQC-VQHPVUNQSA-N -1 0 338.492 3.590 20 0 EHADRM CC(C)CCOc1ccccc1NC(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC001591266175 992178583 /nfs/dbraw/zinc/17/85/83/992178583.db2.gz XJQAULNJQLOAJA-OAHLLOKOSA-N -1 0 348.443 3.734 20 0 EHADRM CC(C)CCc1ccc(NS(=O)(=O)c2ccccc2C(=O)[O-])cc1 ZINC001591266398 992179610 /nfs/dbraw/zinc/17/96/10/992179610.db2.gz FLVBBXILRGZKHD-UHFFFAOYSA-N -1 0 347.436 3.774 20 0 EHADRM CC(C)CN(C(=O)[C@H]1CC[C@H]1C(=O)[O-])[C@H](C)c1ccccc1Cl ZINC001591280078 992205766 /nfs/dbraw/zinc/20/57/66/992205766.db2.gz BKFAZZXMNWNNFJ-VHDGCEQUSA-N -1 0 337.847 3.996 20 0 EHADRM CC(C)CN(C(=O)CCc1cncc2ccccc21)C(C)(C)C(=O)[O-] ZINC001591280347 992207970 /nfs/dbraw/zinc/20/79/70/992207970.db2.gz GOSBQZZNXVDQKB-UHFFFAOYSA-N -1 0 342.439 3.515 20 0 EHADRM CC(C)CN(Cc1ccccc1F)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001591343704 992324929 /nfs/dbraw/zinc/32/49/29/992324929.db2.gz BOTOBRRRLGJGKQ-UHFFFAOYSA-N -1 0 345.374 3.609 20 0 EHADRM CS[C@H](C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC001599780334 992355891 /nfs/dbraw/zinc/35/58/91/992355891.db2.gz IQLZLTDDRWTBRX-RDJZCZTQSA-N -1 0 341.432 3.696 20 0 EHADRM CN(CCOc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)[O-] ZINC001598498661 992398854 /nfs/dbraw/zinc/39/88/54/992398854.db2.gz GPWDGTLBKVSAMP-UHFFFAOYSA-N -1 0 348.786 3.581 20 0 EHADRM CC(C)Cc1ccc(C(=O)N2CCc3cc(C(=O)[O-])ccc3C2)s1 ZINC001591476957 992595582 /nfs/dbraw/zinc/59/55/82/992595582.db2.gz BHUVSVILKBDPPM-UHFFFAOYSA-N -1 0 343.448 3.843 20 0 EHADRM CC(C)Cc1ccc(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])cc1 ZINC001591477036 992596361 /nfs/dbraw/zinc/59/63/61/992596361.db2.gz GQZICDJQYOZZFZ-IBGZPJMESA-N -1 0 337.419 3.709 20 0 EHADRM CC(C)Cc1ccc(CCCC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)cc1 ZINC001591483583 992604087 /nfs/dbraw/zinc/60/40/87/992604087.db2.gz KKEGUOWXBGNNLU-LQWHRVPQSA-N -1 0 343.467 3.577 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)c1 ZINC001591489158 992618916 /nfs/dbraw/zinc/61/89/16/992618916.db2.gz NILYCCIORKKESV-FOIQADDNSA-N -1 0 331.456 3.702 20 0 EHADRM CC(C)Cc1ccccc1CNC(=O)c1ccc(C(=O)[O-])cc1F ZINC001591491001 992626173 /nfs/dbraw/zinc/62/61/73/992626173.db2.gz RMUFGRRWZLYWBZ-UHFFFAOYSA-N -1 0 329.371 3.652 20 0 EHADRM CN(Cc1ccc(Cl)c(F)c1)C(=O)c1ccccc1CCC(=O)[O-] ZINC001598518276 992645647 /nfs/dbraw/zinc/64/56/47/992645647.db2.gz XCQKGCCGLDGRMM-UHFFFAOYSA-N -1 0 349.789 3.769 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)c3ccc(C(=O)[O-])[nH]3)ccc21 ZINC001591521331 992690128 /nfs/dbraw/zinc/69/01/28/992690128.db2.gz GZOUOKWAUQFCOB-UHFFFAOYSA-N -1 0 325.368 3.576 20 0 EHADRM CC(C)N(C(=S)NCCCC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001591542061 992720678 /nfs/dbraw/zinc/72/06/78/992720678.db2.gz CHXJTCAODFVPDM-UHFFFAOYSA-N -1 0 349.283 3.948 20 0 EHADRM CC(C)N(C(=O)c1ccc(C(=O)[O-])o1)c1ccc(F)cc1Cl ZINC001591542083 992721478 /nfs/dbraw/zinc/72/14/78/992721478.db2.gz DLJWWFYXPZWAEL-UHFFFAOYSA-N -1 0 325.723 3.826 20 0 EHADRM CN(Cc1cccc(C(=O)OC(C)(C)C)c1)c1ccccc1C(=O)[O-] ZINC001598527147 992734592 /nfs/dbraw/zinc/73/45/92/992734592.db2.gz IXXCNVQCRYPQFV-UHFFFAOYSA-N -1 0 341.407 3.977 20 0 EHADRM CC(C)N(C)c1ccc(NC(=O)c2cc(F)cc(C(=O)[O-])c2)cc1F ZINC001591560887 992759848 /nfs/dbraw/zinc/75/98/48/992759848.db2.gz PVSNSCVCWZYXDY-UHFFFAOYSA-N -1 0 348.349 3.760 20 0 EHADRM CN(Cc1ccccc1F)c1ncc(C(=O)[O-])cc1C(F)(F)F ZINC001598530282 992770762 /nfs/dbraw/zinc/77/07/62/992770762.db2.gz SSNDVLAQAPJKSV-UHFFFAOYSA-N -1 0 328.265 3.574 20 0 EHADRM CN(Cc1ccns1)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001598531471 992786499 /nfs/dbraw/zinc/78/64/99/992786499.db2.gz SIONSSVWKHNERC-UHFFFAOYSA-N -1 0 341.392 3.658 20 0 EHADRM CN(Cc1cscn1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598535860 992839441 /nfs/dbraw/zinc/83/94/41/992839441.db2.gz AZCMGUQVFWWMJP-LBPRGKRZSA-N -1 0 331.224 3.708 20 0 EHADRM CN(Cc1csc(C(=O)[O-])c1)c1ccccc1Br ZINC001598535937 992840676 /nfs/dbraw/zinc/84/06/76/992840676.db2.gz HIGVKTFTRDGTBW-UHFFFAOYSA-N -1 0 326.215 3.845 20 0 EHADRM CN(Cc1nccc(Cl)c1Cl)[C@H](C(=O)[O-])c1ccccc1 ZINC001598538441 992869587 /nfs/dbraw/zinc/86/95/87/992869587.db2.gz GBRDLZOLIUGRAZ-AWEZNQCLSA-N -1 0 325.195 3.646 20 0 EHADRM O=C([O-])c1cccc(C(=O)N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)c1 ZINC000535622007 1015742028 /nfs/dbraw/zinc/74/20/28/1015742028.db2.gz ZQNBKVMRFDTTJW-HIFRSBDPSA-N -1 0 349.308 3.690 20 0 EHADRM CN(c1ccccc1NCc1cc(C(=O)[O-])n(C)c1)C1CCCC1 ZINC001598545516 992940386 /nfs/dbraw/zinc/94/03/86/992940386.db2.gz FYMKBONUYATFQC-UHFFFAOYSA-N -1 0 327.428 3.714 20 0 EHADRM CN1C(=O)CCc2cc(NCc3cc(C(=O)[O-])ccc3Cl)ccc21 ZINC001598552117 993015520 /nfs/dbraw/zinc/01/55/20/993015520.db2.gz PQUNUENYSSMLHM-UHFFFAOYSA-N -1 0 344.798 3.559 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 ZINC000430279235 1015755943 /nfs/dbraw/zinc/75/59/43/1015755943.db2.gz SKIFMXZAJHEKID-NSHDSACASA-N -1 0 333.771 3.654 20 0 EHADRM COc1ccc(NC(=O)/C(C)=C\c2ccc(C)cc2)c(C(=O)[O-])c1 ZINC001599589637 993661877 /nfs/dbraw/zinc/66/18/77/993661877.db2.gz DPZTWAGKIJMGKR-RAXLEYEMSA-N -1 0 325.364 3.744 20 0 EHADRM CC(C)[C@@H](NC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001593083980 993685220 /nfs/dbraw/zinc/68/52/20/993685220.db2.gz PMXFHIXRBGIAFD-BXUZGUMPSA-N -1 0 347.440 3.599 20 0 EHADRM COc1ccc(NC(=O)Cc2ccc(C(=O)[O-])cc2)c2ccccc12 ZINC001599591602 993691103 /nfs/dbraw/zinc/69/11/03/993691103.db2.gz DJTFJXVTSUSRSS-UHFFFAOYSA-N -1 0 335.359 3.728 20 0 EHADRM COc1ccc(NC(=O)c2cscc2C(F)F)c(C(=O)[O-])c1 ZINC001599595610 993745289 /nfs/dbraw/zinc/74/52/89/993745289.db2.gz GTRZUBQNIPBXHE-UHFFFAOYSA-N -1 0 327.308 3.645 20 0 EHADRM C[C@@H](NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(Cl)c2ccccc21 ZINC001593108288 993763040 /nfs/dbraw/zinc/76/30/40/993763040.db2.gz HRFMCKUROQMLPM-UTUOFQBUSA-N -1 0 346.814 3.717 20 0 EHADRM COc1ccc(NCc2ccccc2O[C@H](C)C(=O)[O-])cc1SC ZINC001599597229 993764324 /nfs/dbraw/zinc/76/43/24/993764324.db2.gz MICAHTDKKUFUFH-GFCCVEGCSA-N -1 0 347.436 3.881 20 0 EHADRM C[C@H](NC(=O)Nc1cccc(CCC(=O)[O-])c1)[C@]12C[C@H]1CCCC2 ZINC001593118989 993834540 /nfs/dbraw/zinc/83/45/40/993834540.db2.gz VUVRNYKHOZULBS-OHNRDTAOSA-N -1 0 330.428 3.794 20 0 EHADRM C[C@H](NC(=O)c1ccsc1C(=O)[O-])c1nc2ccccc2s1 ZINC001593183362 994075902 /nfs/dbraw/zinc/07/59/02/994075902.db2.gz CXAYEOCARJUIIZ-QMMMGPOBSA-N -1 0 332.406 3.547 20 0 EHADRM C[C@@H](NC(=O)c1ccsc1C(=O)[O-])c1ccccc1C(F)(F)F ZINC001593184192 994087099 /nfs/dbraw/zinc/08/70/99/994087099.db2.gz ZXBNWFMYPVJUQY-MRVPVSSYSA-N -1 0 343.326 3.956 20 0 EHADRM COc1ccc2[nH]c(C)c(C(=O)O[C@H](C)c3cc(C(=O)[O-])co3)c2c1 ZINC001599623598 994117492 /nfs/dbraw/zinc/11/74/92/994117492.db2.gz GJQAFIJHKRARJW-SNVBAGLBSA-N -1 0 343.335 3.694 20 0 EHADRM C[C@@H](N[C@H](C)c1cc(Cl)cc2c1OCC2)c1ccc(C(=O)[O-])o1 ZINC001593198487 994171401 /nfs/dbraw/zinc/17/14/01/994171401.db2.gz RMFILNXEPTVKTR-NXEZZACHSA-N -1 0 335.787 3.978 20 0 EHADRM O=C([O-])CCN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)C1CC1 ZINC000238044065 1015841775 /nfs/dbraw/zinc/84/17/75/1015841775.db2.gz GBDWGSLHFZNACD-QWHCGFSZSA-N -1 0 342.222 3.563 20 0 EHADRM C[C@H](N[C@H](Cc1ccccc1)c1ncco1)c1ccc(C(=O)[O-])o1 ZINC001593211038 994260077 /nfs/dbraw/zinc/26/00/77/994260077.db2.gz UVUWUQLYSDIYAV-GXTWGEPZSA-N -1 0 326.352 3.600 20 0 EHADRM COc1ccc2cc(NC(=O)N[C@@H]3CCC[C@H]3CC(=O)[O-])ccc2c1 ZINC001599634895 994272949 /nfs/dbraw/zinc/27/29/49/994272949.db2.gz WGQZXAIGQAVIQQ-WMLDXEAASA-N -1 0 342.395 3.613 20 0 EHADRM C[C@@H](N[C@H]1CC2(CCC2)Oc2ccccc21)c1ncc(C(=O)[O-])s1 ZINC001593217517 994273599 /nfs/dbraw/zinc/27/35/99/994273599.db2.gz BQUGDADUSBTPOM-YPMHNXCESA-N -1 0 344.436 3.938 20 0 EHADRM COc1ccc2ccccc2c1-c1cc(CSCC(=O)[O-])on1 ZINC001599635584 994282364 /nfs/dbraw/zinc/28/23/64/994282364.db2.gz OBUFEVAFDLUFNK-UHFFFAOYSA-N -1 0 329.377 3.821 20 0 EHADRM COc1ccc2ccc(OC(=O)/C=C\c3ccc(C(=O)[O-])o3)cc2c1 ZINC001599635728 994284491 /nfs/dbraw/zinc/28/44/91/994284491.db2.gz FISGLCQWJKLHTR-CLFYSBASSA-N -1 0 338.315 3.758 20 0 EHADRM COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)C[C@H](C)CC(C)(C)C)c1 ZINC001599648467 994459029 /nfs/dbraw/zinc/45/90/29/994459029.db2.gz WDBLFNFAWOYDMU-GUYCJALGSA-N -1 0 335.444 3.742 20 0 EHADRM COc1cccc(C(C)(C)C(=O)Nc2cccc(C(=O)[O-])c2Cl)c1 ZINC001599648732 994463143 /nfs/dbraw/zinc/46/31/43/994463143.db2.gz CGIVNOPXJJZFCW-UHFFFAOYSA-N -1 0 347.798 3.963 20 0 EHADRM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)C[C@H](C)CC(C)(C)C)c1 ZINC001599652533 994527095 /nfs/dbraw/zinc/52/70/95/994527095.db2.gz PQQLXMXXGNSDJM-VBKZILBWSA-N -1 0 349.471 3.964 20 0 EHADRM COc1cccc([C@H](Nc2ccn(C3CCCCC3)n2)C(=O)[O-])c1 ZINC001599659687 994636317 /nfs/dbraw/zinc/63/63/17/994636317.db2.gz MHYHXXGHWJMTTE-KRWDZBQOSA-N -1 0 329.400 3.635 20 0 EHADRM COc1cccc([C@@H](Nc2ccc(COC(C)C)cc2)C(=O)[O-])c1 ZINC001599661048 994656088 /nfs/dbraw/zinc/65/60/88/994656088.db2.gz ZCKQGSCDCCVIAF-GOSISDBHSA-N -1 0 329.396 3.858 20 0 EHADRM C[C@@H](NCc1ccc(C(=O)[O-])cc1F)c1nccn1-c1ccccc1 ZINC001593295938 994693736 /nfs/dbraw/zinc/69/37/36/994693736.db2.gz IJHCFQXNFZJNPZ-CYBMUJFWSA-N -1 0 339.370 3.560 20 0 EHADRM COc1cccc(C[C@@H](C)CC(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001599664775 994711434 /nfs/dbraw/zinc/71/14/34/994711434.db2.gz FNAQRSUZHOKEKA-GFCCVEGCSA-N -1 0 345.370 3.740 20 0 EHADRM C[C@H](NCc1ccc(Cl)c(C(=O)[O-])n1)c1cc(F)c(F)c(F)c1 ZINC001593298394 994715088 /nfs/dbraw/zinc/71/50/88/994715088.db2.gz JOQHFTAJNPVPDD-ZETCQYMHSA-N -1 0 344.720 3.701 20 0 EHADRM C[C@H](NCc1ccccc1CC(=O)[O-])c1nc(C(C)(C)C)cs1 ZINC001593303173 994731853 /nfs/dbraw/zinc/73/18/53/994731853.db2.gz DLONUSYXXSOBBY-LBPRGKRZSA-N -1 0 332.469 3.919 20 0 EHADRM COc1cccc(C2(NC(=O)Nc3cc(C(=O)[O-])sc3C)CC2)c1 ZINC001599667217 994749958 /nfs/dbraw/zinc/74/99/58/994749958.db2.gz WSPLLNULZLOTCZ-UHFFFAOYSA-N -1 0 346.408 3.574 20 0 EHADRM C[C@@](NCc1cnc(-c2ccccc2)s1)(C(=O)[O-])c1ccccc1 ZINC001593311944 994790949 /nfs/dbraw/zinc/79/09/49/994790949.db2.gz WKKXKTVUHJEVJO-IBGZPJMESA-N -1 0 338.432 3.900 20 0 EHADRM C[C@@](NCc1nc2ccc(F)cc2s1)(C(=O)[O-])c1ccccc1 ZINC001593317297 994818263 /nfs/dbraw/zinc/81/82/63/994818263.db2.gz OHGROFAPZSRLHF-KRWDZBQOSA-N -1 0 330.384 3.525 20 0 EHADRM COc1cccc(F)c1C(=O)OCc1cc(C(=O)[O-])ccc1Cl ZINC001599676631 994908300 /nfs/dbraw/zinc/90/83/00/994908300.db2.gz GNNTVUSXMASMMZ-UHFFFAOYSA-N -1 0 338.718 3.543 20 0 EHADRM COc1cccc(N(CCOc2ccccc2C(=O)[O-])CC(C)C)c1 ZINC001599678044 994930177 /nfs/dbraw/zinc/93/01/77/994930177.db2.gz RLWAALSFQGKHAV-UHFFFAOYSA-N -1 0 343.423 3.935 20 0 EHADRM COc1cccc(Nc2ccc(Nc3ccc(C(=O)[O-])nn3)cc2)c1 ZINC001599680161 994966225 /nfs/dbraw/zinc/96/62/25/994966225.db2.gz CUJXXKVEACYMBG-UHFFFAOYSA-N -1 0 336.351 3.671 20 0 EHADRM COC(=O)[C@H](C)CS[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001598689278 995039139 /nfs/dbraw/zinc/03/91/39/995039139.db2.gz WWKVCOPSHFJZDB-RDDDGLTNSA-N -1 0 337.224 3.661 20 0 EHADRM C[C@H](Nc1cccc(CN2CCCC2=O)c1)c1cc(C(=O)[O-])cs1 ZINC001593365687 995042606 /nfs/dbraw/zinc/04/26/06/995042606.db2.gz GLUSFLNMKXBICE-LBPRGKRZSA-N -1 0 344.436 3.742 20 0 EHADRM CC(C)n1c(N[C@@H](C)c2ncc(C(=O)[O-])s2)nc2ccccc21 ZINC001593374075 995071120 /nfs/dbraw/zinc/07/11/20/995071120.db2.gz NXLVCZTXTYCHIC-JTQLQIEISA-N -1 0 330.413 3.945 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)CC2CCC(C)(C)CC2)cc1 ZINC000683295636 1015928086 /nfs/dbraw/zinc/92/80/86/1015928086.db2.gz AEHQPVCIEFNXGT-KRWDZBQOSA-N -1 0 347.455 3.934 20 0 EHADRM C[C@H](OC(=O)CC1CC(c2ccccc2)C1)c1nc(C(=O)[O-])co1 ZINC001593515290 995539563 /nfs/dbraw/zinc/53/95/63/995539563.db2.gz MVBCNGHMSUGDPM-DCBWTQNWSA-N -1 0 329.352 3.561 20 0 EHADRM C[C@H](OC(=O)CCc1ocnc1C(=O)[O-])c1ccc2ccccc2c1 ZINC001593528680 995578205 /nfs/dbraw/zinc/57/82/05/995578205.db2.gz ZKTXZDFVLUXECH-LBPRGKRZSA-N -1 0 339.347 3.763 20 0 EHADRM C[C@H](OC1CCCCC1)C(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-] ZINC001593602811 995765687 /nfs/dbraw/zinc/76/56/87/995765687.db2.gz KRSLZCKQBQIJGL-VIFPVBQESA-N -1 0 343.782 3.854 20 0 EHADRM C[C@H](OCc1ccccc1)C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001593610993 995805046 /nfs/dbraw/zinc/80/50/46/995805046.db2.gz MBEZDUGVUKZAME-NSHDSACASA-N -1 0 334.755 3.549 20 0 EHADRM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C ZINC001593612168 995813020 /nfs/dbraw/zinc/81/30/20/995813020.db2.gz LVIGGSHODJVRFJ-CJNGLKHVSA-N -1 0 349.471 3.757 20 0 EHADRM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(CC(=O)[O-])C1CCCC1 ZINC001593612180 995813612 /nfs/dbraw/zinc/81/36/12/995813612.db2.gz MCECWXZLMXLKGQ-AWEZNQCLSA-N -1 0 347.455 3.607 20 0 EHADRM C[C@H](Oc1ccc(CN[C@@H](c2ccccc2)C(F)F)cc1)C(=O)[O-] ZINC001593617677 995853898 /nfs/dbraw/zinc/85/38/98/995853898.db2.gz MHQCMCINLLGDQW-LRDDRELGSA-N -1 0 335.350 3.635 20 0 EHADRM C[C@@H](OC(=O)[C@H](C)Oc1ccc2c(c1)CCC2)c1ccc(C(=O)[O-])o1 ZINC001593635702 995933347 /nfs/dbraw/zinc/93/33/47/995933347.db2.gz XRFJAWMILUEZJX-NEPJUHHUSA-N -1 0 344.363 3.538 20 0 EHADRM CC(C)c1cccc(O[C@H](C)C(=O)O[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC001593636522 995937306 /nfs/dbraw/zinc/93/73/06/995937306.db2.gz QDAWVHGTBNGGBQ-RDTXWAMCSA-N -1 0 342.391 3.946 20 0 EHADRM C[C@H](Oc1cccc(Cl)c1)C(=O)O[C@@H](C(=O)[O-])c1ccsc1 ZINC001593639525 995941920 /nfs/dbraw/zinc/94/19/20/995941920.db2.gz OBVWHPPPPOPTMZ-TVQRCGJNSA-N -1 0 340.784 3.538 20 0 EHADRM C[C@@H](Oc1cccc(Cl)c1)C(=O)O[C@@H](C(=O)[O-])c1ccsc1 ZINC001593639521 995942141 /nfs/dbraw/zinc/94/21/41/995942141.db2.gz OBVWHPPPPOPTMZ-NOZJJQNGSA-N -1 0 340.784 3.538 20 0 EHADRM C[C@H](SCc1noc(CCCC(=O)[O-])n1)c1ccc2c(c1)CCC2 ZINC001593664256 996050103 /nfs/dbraw/zinc/05/01/03/996050103.db2.gz KGRGHBGHLBNIIJ-LBPRGKRZSA-N -1 0 346.452 3.960 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N1CC[C@H]1C1CCCC1)C(=O)[O-] ZINC001593667145 996056281 /nfs/dbraw/zinc/05/62/81/996056281.db2.gz BGUCLZVVKBHEHU-DOMZBBRYSA-N -1 0 333.453 3.657 20 0 EHADRM C[C@@H](c1ccc(C(=O)[O-])o1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC001593690567 996136054 /nfs/dbraw/zinc/13/60/54/996136054.db2.gz SYLGJYRZCBLQRF-QMMMGPOBSA-N -1 0 348.298 3.532 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001593693994 996147892 /nfs/dbraw/zinc/14/78/92/996147892.db2.gz QICYJQZGHLLVGG-PAPYEOQZSA-N -1 0 337.847 3.791 20 0 EHADRM O=C([N-]S(=O)(=O)CCCF)c1sc2ccccc2c1Cl ZINC000080315325 1016018992 /nfs/dbraw/zinc/01/89/92/1016018992.db2.gz ZJDOHWPQIRZVEF-UHFFFAOYSA-N -1 0 335.809 3.549 20 0 EHADRM C[C@H](c1nc(C(=O)[O-])co1)[S@](=O)Cc1ccc(Cl)cc1Cl ZINC001593729047 996290755 /nfs/dbraw/zinc/29/07/55/996290755.db2.gz IIRNVQHXLCUKFN-WODJRTHDSA-N -1 0 348.207 3.690 20 0 EHADRM COC(=O)C[C@@H]1CC[C@H](Nc2ccc3sc(C(=O)[O-])cc3c2)[C@H]1C ZINC001598846842 996572651 /nfs/dbraw/zinc/57/26/51/996572651.db2.gz JLSUVDZBBLEZIN-MJVIPROJSA-N -1 0 347.436 3.989 20 0 EHADRM CC1(C)[C@H](c2cccc(Cl)c2)CCN1C(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001593838679 996598709 /nfs/dbraw/zinc/59/87/09/996598709.db2.gz ZATVCXBNRONKGE-ZDUSSCGKSA-N -1 0 346.814 3.775 20 0 EHADRM CC1(C)[C@@H](c2ccccc2Cl)CCN1C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001593841913 996600892 /nfs/dbraw/zinc/60/08/92/996600892.db2.gz JSDUDAPOPDHWQH-OUCADQQQSA-N -1 0 335.831 3.545 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)C1CC(C)(C)CC(C)(C)C1)c1ccccn1 ZINC001593846939 996611558 /nfs/dbraw/zinc/61/15/58/996611558.db2.gz COKFWFBCNVIHBM-HXUWFJFHSA-N -1 0 346.471 3.740 20 0 EHADRM CC1(C)C[C@@H](OC(=O)c2ccc(C(=O)[O-])c(F)c2)c2ccccc2O1 ZINC001593862982 996661773 /nfs/dbraw/zinc/66/17/73/996661773.db2.gz ADMYQLKZFMDNQX-MRXNPFEDSA-N -1 0 344.338 3.983 20 0 EHADRM CC1(C)C[C@@H](c2ccccc2)CN1C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001593863095 996662186 /nfs/dbraw/zinc/66/21/86/996662186.db2.gz CTCODBXGUYJJOV-IXDOHACOSA-N -1 0 329.440 3.672 20 0 EHADRM CC1(C)CC[C@H](Sc2ccc(Br)cc2C(=O)[O-])C1=O ZINC001593883718 996718003 /nfs/dbraw/zinc/71/80/03/996718003.db2.gz QNQLRGMYWNHZPG-NSHDSACASA-N -1 0 343.242 3.997 20 0 EHADRM CC1(C)CCCC[C@@H]1CC(=O)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001593905389 996786572 /nfs/dbraw/zinc/78/65/72/996786572.db2.gz TYWSDWXWXRYYPD-OAHLLOKOSA-N -1 0 345.439 3.712 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC001599379110 996803639 /nfs/dbraw/zinc/80/36/39/996803639.db2.gz VAKFGKYKPUXWGB-BPLDGKMQSA-N -1 0 332.396 3.905 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001599379406 996807393 /nfs/dbraw/zinc/80/73/93/996807393.db2.gz OFHCMOOOWPQDNT-UONOGXRCSA-N -1 0 346.766 3.756 20 0 EHADRM COCc1c2ccccc2oc1C(=O)O[C@H](C)c1cc(C(=O)[O-])co1 ZINC001599279563 996872024 /nfs/dbraw/zinc/87/20/24/996872024.db2.gz ZYVRSFBRPPCJRM-SNVBAGLBSA-N -1 0 344.319 3.788 20 0 EHADRM CC1(C)CN(C(=O)Cc2ccc(C(=O)[O-])cc2)c2ccc(Cl)cc21 ZINC001593928668 996876196 /nfs/dbraw/zinc/87/61/96/996876196.db2.gz LWTNBEJQJDQCBQ-UHFFFAOYSA-N -1 0 343.810 3.905 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)N2CC3(CC=CC3)[C@H]2C(C)C)c1 ZINC001599489184 996907776 /nfs/dbraw/zinc/90/77/76/996907776.db2.gz JEWYIZFVTSTPIW-MRXNPFEDSA-N -1 0 344.411 3.602 20 0 EHADRM CC1(C)CN(C(=O)c2ccc(C(=O)[O-])c(F)c2)CC[C@H]1C(F)(F)F ZINC001593936352 996916200 /nfs/dbraw/zinc/91/62/00/996916200.db2.gz CFXBIKLTSKCWFR-GFCCVEGCSA-N -1 0 347.308 3.575 20 0 EHADRM COCc1cc(NC(=O)N(C)[C@H]2CCC(C)(C)C2)cc(C(=O)[O-])c1 ZINC001599283484 996933995 /nfs/dbraw/zinc/93/39/95/996933995.db2.gz ISBCWLFUMKCPTQ-HNNXBMFYSA-N -1 0 334.416 3.574 20 0 EHADRM COCc1cc(NC(=O)NCC(C)(C)C2=CCCC2)cc(C(=O)[O-])c1 ZINC001599287176 997000535 /nfs/dbraw/zinc/00/05/35/997000535.db2.gz GYOFDCUGLUQYEA-UHFFFAOYSA-N -1 0 346.427 3.789 20 0 EHADRM COCc1cc(N[C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)cc(C(=O)[O-])c1 ZINC001599288243 997019070 /nfs/dbraw/zinc/01/90/70/997019070.db2.gz RZRPHUSQRQHHRR-HZPDHXFCSA-N -1 0 335.444 3.925 20 0 EHADRM COCc1cc(NCc2cncc(Cl)c2Cl)cc(C(=O)[O-])c1 ZINC001599289047 997030214 /nfs/dbraw/zinc/03/02/14/997030214.db2.gz AVJFTAWGYQKDDI-UHFFFAOYSA-N -1 0 341.194 3.845 20 0 EHADRM COc1cc(C)cc(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])c1C ZINC001599392700 997067624 /nfs/dbraw/zinc/06/76/24/997067624.db2.gz YZCSIYVCKQWYIV-UHFFFAOYSA-N -1 0 333.771 3.916 20 0 EHADRM COc1ccc(C(=O)[O-])cc1COc1ccc(F)c2cccnc12 ZINC001599500299 997105729 /nfs/dbraw/zinc/10/57/29/997105729.db2.gz VZSGAZFZMFFRAZ-UHFFFAOYSA-N -1 0 327.311 3.660 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC[C@@H]1CCCC2(CCC2)O1 ZINC001599398540 997173534 /nfs/dbraw/zinc/17/35/34/997173534.db2.gz GQZCWRBFADEBKO-VFADXPBXSA-N -1 0 332.396 3.664 20 0 EHADRM COc1ccc(/C(C)=C/C(=O)Nc2scc(C)c2C(=O)[O-])cc1 ZINC001599505455 997203753 /nfs/dbraw/zinc/20/37/53/997203753.db2.gz OTYYRVZUGHVPDW-CSKARUKUSA-N -1 0 331.393 3.805 20 0 EHADRM COc1ccc(C(C)(C)N[C@H](C)c2ncc(C(=O)[O-])s2)cc1F ZINC001599506261 997214885 /nfs/dbraw/zinc/21/48/85/997214885.db2.gz LBSAMOPSROJUOY-SECBINFHSA-N -1 0 338.404 3.575 20 0 EHADRM COc1ccc([C@H](C)NC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC001599508572 997255304 /nfs/dbraw/zinc/25/53/04/997255304.db2.gz IVXHLONKALDZQB-JTQLQIEISA-N -1 0 333.771 3.538 20 0 EHADRM C[C@@]1(C2CCCCC2)CCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001593993027 997279470 /nfs/dbraw/zinc/27/94/70/997279470.db2.gz RTQJZJIOIKNTHA-FQEVSTJZSA-N -1 0 329.440 3.889 20 0 EHADRM C[C@@]1(CC(=O)OCc2ccc(C(=O)[O-])c(F)c2)CC1(Cl)Cl ZINC001593998567 997329807 /nfs/dbraw/zinc/32/98/07/997329807.db2.gz TUTVIPMZYRVUCI-CYBMUJFWSA-N -1 0 335.158 3.541 20 0 EHADRM CON(C(=O)c1cc2sc3ccccc3c2s1)[C@@H](C)CC(=O)[O-] ZINC001599313291 997454091 /nfs/dbraw/zinc/45/40/91/997454091.db2.gz ZGUJKRCTSFSXAU-VIFPVBQESA-N -1 0 349.433 3.983 20 0 EHADRM CON(Cc1ccc(C)o1)[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001599318109 997534174 /nfs/dbraw/zinc/53/41/74/997534174.db2.gz DUCOVCSIRIAEEZ-CQSZACIVSA-N -1 0 343.301 3.796 20 0 EHADRM COc1cc(Cl)ccc1C(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC001599421073 997595767 /nfs/dbraw/zinc/59/57/67/997595767.db2.gz ZTKSWKSJRNWTIR-INIZCTEOSA-N -1 0 347.798 3.521 20 0 EHADRM COc1c(C)ccc(N[C@@H](C)c2ccccc2OCC(=O)[O-])c1C ZINC001599332978 997779927 /nfs/dbraw/zinc/77/99/27/997779927.db2.gz RBJCLQPJVWTCPL-AWEZNQCLSA-N -1 0 329.396 3.949 20 0 EHADRM COc1ccc([C@@H]2CCCN2C(=O)NCCCCCCC(=O)[O-])cc1 ZINC001599538271 997785273 /nfs/dbraw/zinc/78/52/73/997785273.db2.gz DUZKROBYIXEXMV-KRWDZBQOSA-N -1 0 348.443 3.577 20 0 EHADRM COc1cc(NC(=O)N2CCC[C@@H]2CCC(C)C)ccc1C(=O)[O-] ZINC001599436074 997848683 /nfs/dbraw/zinc/84/86/83/997848683.db2.gz UHJMIEKVOUIHJV-CQSZACIVSA-N -1 0 334.416 3.826 20 0 EHADRM COc1ccc(/C=C(/C)C(=O)Nc2scc(C(=O)[O-])c2C)cc1F ZINC001599541926 997858206 /nfs/dbraw/zinc/85/82/06/997858206.db2.gz SXLFJJYMNHVUNE-TWGQIWQCSA-N -1 0 349.383 3.944 20 0 EHADRM COc1c(NC(=O)N(C)[C@H](C)Cc2cccs2)cccc1C(=O)[O-] ZINC001599338671 997882588 /nfs/dbraw/zinc/88/25/88/997882588.db2.gz REXSRGYRJILQRT-LLVKDONJSA-N -1 0 348.424 3.550 20 0 EHADRM COc1c(NC(=O)NCc2cccc(C(C)C)c2)cccc1C(=O)[O-] ZINC001599338917 997888127 /nfs/dbraw/zinc/88/81/27/997888127.db2.gz AMQHPEFIDUFNNQ-UHFFFAOYSA-N -1 0 342.395 3.839 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)Cc1sc(C)cc1C ZINC001599546161 997926914 /nfs/dbraw/zinc/92/69/14/997926914.db2.gz LTEZNNGSYPHBDB-ALCCZGGFSA-N -1 0 346.404 3.619 20 0 EHADRM COc1cc(NC(=O)c2c(F)cccc2SC)ccc1C(=O)[O-] ZINC001599440933 997928338 /nfs/dbraw/zinc/92/83/38/997928338.db2.gz POROSVSTHPABHF-UHFFFAOYSA-N -1 0 335.356 3.507 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OCc1csc([C@H](C)OC)n1 ZINC001599546670 997934961 /nfs/dbraw/zinc/93/49/61/997934961.db2.gz OWGOPGGNNQQABS-ZRQQLDRUSA-N -1 0 349.408 3.536 20 0 EHADRM COc1cc(N[C@@H](C)CC(C)(C)CC(=O)[O-])ccc1OC(F)F ZINC001599442731 997956181 /nfs/dbraw/zinc/95/61/81/997956181.db2.gz HJJITBNGCSLRDO-JTQLQIEISA-N -1 0 331.359 3.988 20 0 EHADRM COc1cc(NCc2nc3ccc(Cl)cc3n2C)ccc1C(=O)[O-] ZINC001599443208 997964058 /nfs/dbraw/zinc/96/40/58/997964058.db2.gz CRKVBWTZDLERNC-UHFFFAOYSA-N -1 0 345.786 3.546 20 0 EHADRM COc1cc(NCc2nc3c(s2)C[C@H](C)CC3)ccc1C(=O)[O-] ZINC001599443544 997970470 /nfs/dbraw/zinc/97/04/70/997970470.db2.gz HLCVALZXJZKTGV-SNVBAGLBSA-N -1 0 332.425 3.587 20 0 EHADRM C[C@]1(c2ccccc2)CCCN1C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001594079683 997973132 /nfs/dbraw/zinc/97/31/32/997973132.db2.gz NDRLJJKJALHOOC-LJQANCHMSA-N -1 0 329.440 3.949 20 0 EHADRM COc1cc(OC(=O)CCc2ccc(C)c(Cl)c2)ccc1C(=O)[O-] ZINC001599445185 997996515 /nfs/dbraw/zinc/99/65/15/997996515.db2.gz DPLGNBXESJRIIE-UHFFFAOYSA-N -1 0 348.782 3.893 20 0 EHADRM COc1cc(-c2noc(CCc3ccc(C(=O)[O-])cc3)n2)ccc1C ZINC001599346691 998019316 /nfs/dbraw/zinc/01/93/16/998019316.db2.gz IQBRAQKJKRKLND-UHFFFAOYSA-N -1 0 338.363 3.537 20 0 EHADRM COc1cc(OC(=O)c2cccc(Cl)c2Cl)ccc1C(=O)[O-] ZINC001599448445 998049450 /nfs/dbraw/zinc/04/94/50/998049450.db2.gz ZDRFXLPSUUPAEH-UHFFFAOYSA-N -1 0 341.146 3.919 20 0 EHADRM COC(=O)c1cc(NC(=O)[C@H]2CC[C@H](C(C)C)CC2)ccc1C(=O)[O-] ZINC001598946517 998067485 /nfs/dbraw/zinc/06/74/85/998067485.db2.gz KSFVIDVPVKLAIS-JOCQHMNTSA-N -1 0 347.411 3.572 20 0 EHADRM CC1=C(C(=O)[O-])[C@H](c2ccc(-c3cccs3)cc2F)NC(=O)N1C ZINC001594095545 998068119 /nfs/dbraw/zinc/06/81/19/998068119.db2.gz TWSXNPRAYRADAU-HNNXBMFYSA-N -1 0 346.383 3.609 20 0 EHADRM CC1=C(C(=O)[O-])[C@@H](c2cccc(Oc3ccccc3)c2)NC(=O)N1C ZINC001594097768 998073656 /nfs/dbraw/zinc/07/36/56/998073656.db2.gz HAYRLKCGXKRNPX-QGZVFWFLSA-N -1 0 338.363 3.534 20 0 EHADRM COc1ccc(CN(C)Cc2c(Cl)cccc2C(=O)[O-])c(OC)c1 ZINC001599558620 998143617 /nfs/dbraw/zinc/14/36/17/998143617.db2.gz KJIBMNVHKSKKPS-UHFFFAOYSA-N -1 0 349.814 3.687 20 0 EHADRM CC1=C(C(=O)[O-])C[C@H](CSc2nc3cc(F)cc(Cl)c3o2)O1 ZINC001594105604 998162127 /nfs/dbraw/zinc/16/21/27/998162127.db2.gz FCILMACXBOTIIB-MRVPVSSYSA-N -1 0 343.763 3.860 20 0 EHADRM COC(=O)c1cc(OCc2ccc(C)cc2Cl)cc(C(=O)[O-])c1 ZINC001598951862 998168671 /nfs/dbraw/zinc/16/86/71/998168671.db2.gz NVUURPSWKOQSSB-UHFFFAOYSA-N -1 0 334.755 3.712 20 0 EHADRM COc1cc(C(=O)Nc2ccc(C)c(C)c2C(=O)[O-])cc(OC)c1C ZINC001599355680 998174925 /nfs/dbraw/zinc/17/49/25/998174925.db2.gz HSJYJKVYMYPOOV-UHFFFAOYSA-N -1 0 343.379 3.580 20 0 EHADRM COc1cc(C(=O)Nc2cccc(C(=O)[O-])c2)cc(OC)c1C(C)C ZINC001599355807 998177020 /nfs/dbraw/zinc/17/70/20/998177020.db2.gz LCMNYEIDXPZOAQ-UHFFFAOYSA-N -1 0 343.379 3.778 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)[C@H](C)CCC(C)(C)C)c1OC ZINC001599356670 998189981 /nfs/dbraw/zinc/18/99/81/998189981.db2.gz GUJCHTLYPOQOCV-LLVKDONJSA-N -1 0 337.416 3.803 20 0 EHADRM COCC(C)(C)CCCNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001599144904 998195498 /nfs/dbraw/zinc/19/54/98/998195498.db2.gz OPVPTNDKWAZEDW-UHFFFAOYSA-N -1 0 342.823 3.613 20 0 EHADRM CC1=C(C)CN(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)CC1 ZINC001594110445 998211678 /nfs/dbraw/zinc/21/16/78/998211678.db2.gz VQBLOPUPIMCFKK-UHFFFAOYSA-N -1 0 326.755 3.751 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)[C@]2(C)CCC(C)=C(C)C2)C(=O)[O-])cc1 ZINC001594110813 998215120 /nfs/dbraw/zinc/21/51/20/998215120.db2.gz ZWFNEQSVZGYFQO-YLJYHZDGSA-N -1 0 329.440 3.806 20 0 EHADRM COc1cc(C(=O)[O-])cc(N[C@@H]2CCc3c2cccc3F)c1OC ZINC001599362237 998280523 /nfs/dbraw/zinc/28/05/23/998280523.db2.gz NTCOVFCKWOCFHU-CQSZACIVSA-N -1 0 331.343 3.641 20 0 EHADRM C[C@@H]1C(=O)CC[C@@H](C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C1(C)C ZINC001594122663 998286917 /nfs/dbraw/zinc/28/69/17/998286917.db2.gz QLDVOXBTKKXBHO-RNCFNFMXSA-N -1 0 337.803 3.618 20 0 EHADRM COC(=O)c1ccc(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])cc1 ZINC001598958740 998292811 /nfs/dbraw/zinc/29/28/11/998292811.db2.gz PSDAOQLNNMEMIS-UHFFFAOYSA-N -1 0 341.363 3.547 20 0 EHADRM COCCOc1ccc(Nc2nc(Cl)c(C(=O)[O-])s2)c(C)c1 ZINC001599260270 998373818 /nfs/dbraw/zinc/37/38/18/998373818.db2.gz UURRBNOCMIJBSE-UHFFFAOYSA-N -1 0 342.804 3.572 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC001594136152 998376899 /nfs/dbraw/zinc/37/68/99/998376899.db2.gz MPQNDIVCHYEZLA-JFSXXWSZSA-N -1 0 341.382 3.507 20 0 EHADRM COCCOc1cccc(NCc2cccc(C(=O)[O-])c2Cl)c1 ZINC001599260555 998378502 /nfs/dbraw/zinc/37/85/02/998378502.db2.gz GHYRULBNRQYMCL-UHFFFAOYSA-N -1 0 335.787 3.676 20 0 EHADRM COCCOc1cccc(/C=C\c2nc(Cl)c(C(=O)[O-])s2)c1 ZINC001599261161 998388829 /nfs/dbraw/zinc/38/88/29/998388829.db2.gz XBZXDZVDAWTVFG-WAYWQWQTSA-N -1 0 339.800 3.690 20 0 EHADRM COc1ccc(CNc2cncc(C(=O)[O-])c2)cc1OCCC(C)C ZINC001599575107 998429493 /nfs/dbraw/zinc/42/94/93/998429493.db2.gz TXXVERKZSJJBCN-UHFFFAOYSA-N -1 0 344.411 3.825 20 0 EHADRM COc1ccc(-c2nc(NC(=O)C[C@@H](C)CC(=O)[O-])sc2C)cc1 ZINC001599470821 998447773 /nfs/dbraw/zinc/44/77/73/998447773.db2.gz YWVPRHWJPIOQQG-SNVBAGLBSA-N -1 0 348.424 3.567 20 0 EHADRM COc1ccc(-n2ccnc2SCc2cc(C(=O)[O-])c(C)o2)cc1 ZINC001599474381 998503747 /nfs/dbraw/zinc/50/37/47/998503747.db2.gz PVNDGGZXBQMORY-UHFFFAOYSA-N -1 0 344.392 3.773 20 0 EHADRM COc1ccc(Cl)cc1C(=O)Oc1cc(C(=O)[O-])cc(F)c1C ZINC001599579589 998505862 /nfs/dbraw/zinc/50/58/62/998505862.db2.gz POBLBBLUEQFIQW-UHFFFAOYSA-N -1 0 338.718 3.714 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)C(C)(C)c1ccc(Cl)cc1 ZINC001599378274 998524288 /nfs/dbraw/zinc/52/42/88/998524288.db2.gz UUJPPXNGQSPRKN-UHFFFAOYSA-N -1 0 348.782 3.930 20 0 EHADRM COc1ccc(F)c(NC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c1 ZINC001599581630 998541564 /nfs/dbraw/zinc/54/15/64/998541564.db2.gz KJXKGIROOVCVAV-JTQLQIEISA-N -1 0 332.331 3.666 20 0 EHADRM CSCCCCCNc1ncnc2sc(C(=O)[O-])c(C)c21 ZINC000235200830 1016233489 /nfs/dbraw/zinc/23/34/89/1016233489.db2.gz LKOZCUODDVFKTL-UHFFFAOYSA-N -1 0 325.459 3.643 20 0 EHADRM Cc1ccc(CCC(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])cc1Cl ZINC000683332560 1016233602 /nfs/dbraw/zinc/23/36/02/1016233602.db2.gz GJOBXQGHWYMKFV-KSSFIOAISA-N -1 0 337.847 3.731 20 0 EHADRM COC(=O)c1ccc(NCc2ccc(Cl)cc2F)cc1C(=O)[O-] ZINC001598984654 998689611 /nfs/dbraw/zinc/68/96/11/998689611.db2.gz WCNIDZKMXKNWKF-UHFFFAOYSA-N -1 0 337.734 3.576 20 0 EHADRM COC(=O)c1cccc(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])c1 ZINC001598991951 998745400 /nfs/dbraw/zinc/74/54/00/998745400.db2.gz ABJLESQQVJMERW-UHFFFAOYSA-N -1 0 341.363 3.547 20 0 EHADRM C[C@H]1CC(=O)N(C)c2ccc(NCc3csc(C(=O)[O-])c3)cc21 ZINC001594198230 998767314 /nfs/dbraw/zinc/76/73/14/998767314.db2.gz DPLLUWUATDJEMP-JTQLQIEISA-N -1 0 330.409 3.528 20 0 EHADRM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1C(=O)c1ccc(Oc2ccccc2)o1 ZINC001594205929 998791900 /nfs/dbraw/zinc/79/19/00/998791900.db2.gz MOVMFAREIPGVEC-STQMWFEESA-N -1 0 343.379 3.786 20 0 EHADRM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1C(=O)c1cccc(Cl)c1Cl ZINC001594206172 998793897 /nfs/dbraw/zinc/79/38/97/998793897.db2.gz PSOQWUMAZNRXOM-RKDXNWHRSA-N -1 0 330.211 3.707 20 0 EHADRM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001594213114 998822518 /nfs/dbraw/zinc/82/25/18/998822518.db2.gz AVJXDXBDAUCZAE-FKRHRZSBSA-N -1 0 343.467 3.918 20 0 EHADRM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001594213958 998824779 /nfs/dbraw/zinc/82/47/79/998824779.db2.gz HCPDXHZKMNQHEI-RHSMWYFYSA-N -1 0 346.471 3.784 20 0 EHADRM C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001594215324 998828913 /nfs/dbraw/zinc/82/89/13/998828913.db2.gz RUYQHHJFZARLQM-DZGCQCFKSA-N -1 0 332.444 3.992 20 0 EHADRM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001594216277 998831661 /nfs/dbraw/zinc/83/16/61/998831661.db2.gz VPAJEXLORLBWJM-CXAGYDPISA-N -1 0 344.455 3.667 20 0 EHADRM C[C@@H]1CC(CNC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C[C@@H](C)C1 ZINC001594223136 998860255 /nfs/dbraw/zinc/86/02/55/998860255.db2.gz NPECJZAUVNFQES-UWVGGRQHSA-N -1 0 340.370 3.857 20 0 EHADRM C[C@@H]1CC(CNC(=O)Nc2cccc(CCC(=O)[O-])c2)C[C@@H](C)C1 ZINC001594223335 998861072 /nfs/dbraw/zinc/86/10/72/998861072.db2.gz UOVWLXUIUPYTCZ-KBPBESRZSA-N -1 0 332.444 3.898 20 0 EHADRM C[C@@H]1CC(F)(F)CCN1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001594244886 998933224 /nfs/dbraw/zinc/93/32/24/998933224.db2.gz AEHVPAHYRMJBBW-MRVPVSSYSA-N -1 0 332.734 3.690 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)Nc2cccc3cc(C(=O)[O-])sc32)C[C@H](C)O1 ZINC001594257575 998991688 /nfs/dbraw/zinc/99/16/88/998991688.db2.gz IFSAJHCKRHFKJW-PEGIJTEDSA-N -1 0 348.424 3.677 20 0 EHADRM CO[C@@H](C(=O)[O-])c1ccccc1OCc1ccc(OC(C)C)cc1 ZINC001599026403 999018974 /nfs/dbraw/zinc/01/89/74/999018974.db2.gz LIDJBFQGXKDUIP-GOSISDBHSA-N -1 0 330.380 3.825 20 0 EHADRM CO[C@@H](C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-])c1ccc(F)cc1 ZINC001599026963 999022890 /nfs/dbraw/zinc/02/28/90/999022890.db2.gz MIMWIBCNSPCSFV-QGZVFWFLSA-N -1 0 345.370 3.974 20 0 EHADRM CO[C@@H](C(=O)[O-])c1ccccc1OCCSCc1ccccc1 ZINC001599028251 999031272 /nfs/dbraw/zinc/03/12/72/999031272.db2.gz YWIOFHCHKVNONF-QGZVFWFLSA-N -1 0 332.421 3.771 20 0 EHADRM CO[C@](C)(C(=O)Nc1ccc(SC)c(C(=O)[O-])c1)c1ccccc1 ZINC001599029288 999038716 /nfs/dbraw/zinc/03/87/16/999038716.db2.gz FPVJEWOAOLBWEA-SFHVURJKSA-N -1 0 345.420 3.607 20 0 EHADRM CO[C@H](C)CN(C(=O)Nc1ccc(C(=O)[O-])c2ccccc12)C(C)C ZINC001599039661 999108437 /nfs/dbraw/zinc/10/84/37/999108437.db2.gz FQCBUSYYXWYBMW-CYBMUJFWSA-N -1 0 344.411 3.815 20 0 EHADRM C[C@@H](NC(=O)C=C1CCC(C)CC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001594291768 999124789 /nfs/dbraw/zinc/12/47/89/999124789.db2.gz YGWNETZWCZPXKV-QTLYGJNZSA-N -1 0 329.440 3.571 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)C[C@@H]1C ZINC001594295492 999137071 /nfs/dbraw/zinc/13/70/71/999137071.db2.gz IHHJAWKCROOCPJ-ILXRZTDVSA-N -1 0 333.428 3.941 20 0 EHADRM C[C@@H]1CCC(C)(C)N1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001594296409 999142044 /nfs/dbraw/zinc/14/20/44/999142044.db2.gz RFVUJYSOKHNXGT-SECBINFHSA-N -1 0 342.342 3.781 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C[C@@H]1C ZINC001594296558 999142698 /nfs/dbraw/zinc/14/26/98/999142698.db2.gz OEZJEKHPTWECER-OUAUKWLOSA-N -1 0 341.354 3.997 20 0 EHADRM CO[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])c2ccccc12)CC(C)C ZINC001599050586 999184858 /nfs/dbraw/zinc/18/48/58/999184858.db2.gz UCRKCLPILITKGF-CYBMUJFWSA-N -1 0 344.411 3.721 20 0 EHADRM C[C@@H]1CC[C@](NCc2cnc(Cl)s2)(C(=O)[O-])c2ccccc21 ZINC001594321701 999237385 /nfs/dbraw/zinc/23/73/85/999237385.db2.gz VJQUVOBNSXRGKJ-QLJPJBMISA-N -1 0 336.844 3.764 20 0 EHADRM CO[C@@H](COc1ccc(C(=O)[O-])cc1Br)CC(C)C ZINC001599059069 999251676 /nfs/dbraw/zinc/25/16/76/999251676.db2.gz UQSLHHRPZSPCAC-LLVKDONJSA-N -1 0 331.206 3.587 20 0 EHADRM C[C@H]1CC[C@H](c2ccccc2)N(C(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC001594329643 999266645 /nfs/dbraw/zinc/26/66/45/999266645.db2.gz BYPDFNNOUVONPE-SUMWQHHRSA-N -1 0 339.395 3.785 20 0 EHADRM C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)Nc2cc(C(=O)[O-])ccn2)C1 ZINC001594330440 999270269 /nfs/dbraw/zinc/27/02/69/999270269.db2.gz PPXJXCRDRKCKRE-CJNGLKHVSA-N -1 0 339.395 3.785 20 0 EHADRM C[C@@H]1CCC[C@@H](CNC(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)O1 ZINC001594345306 999306302 /nfs/dbraw/zinc/30/63/02/999306302.db2.gz AADNQAQPCXVVAT-DOMZBBRYSA-N -1 0 342.395 3.617 20 0 EHADRM C[C@@H]1CCC[C@@H](CNC(=O)Cn2cc(C(=O)[O-])c3ccccc32)[C@H]1C ZINC001594346843 999314277 /nfs/dbraw/zinc/31/42/77/999314277.db2.gz SYBIVPNIYDTEFH-ILXRZTDVSA-N -1 0 342.439 3.528 20 0 EHADRM C[C@H]1CCC[C@H](OCCCCCC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001594356553 999347378 /nfs/dbraw/zinc/34/73/78/999347378.db2.gz XDHNMHPICKJNLX-YVSFHVDLSA-N -1 0 339.476 3.512 20 0 EHADRM C[C@@H]1CCC[C@H]1CC(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC001594358081 999354411 /nfs/dbraw/zinc/35/44/11/999354411.db2.gz UIQOXPCMMKYUGG-OLZOCXBDSA-N -1 0 339.382 3.594 20 0 EHADRM C[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001594366152 999383645 /nfs/dbraw/zinc/38/36/45/999383645.db2.gz NEUWIEQBMJWGOC-VJUNAUMWSA-N -1 0 330.428 3.917 20 0 EHADRM C[C@H]1CCCC[C@H]1Cc1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC001594367276 999387861 /nfs/dbraw/zinc/38/78/61/999387861.db2.gz QBRVJYLIGHNEFQ-STQMWFEESA-N -1 0 330.384 3.716 20 0 EHADRM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001594369877 999393090 /nfs/dbraw/zinc/39/30/90/999393090.db2.gz BQTPQZLKUXVXIZ-RNCFNFMXSA-N -1 0 343.782 3.711 20 0 EHADRM C[C@@H]1CCCC[C@@H]1NC(=S)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001594370469 999396101 /nfs/dbraw/zinc/39/61/01/999396101.db2.gz HVDIGUJFYRPJDZ-SCZZXKLOSA-N -1 0 328.384 3.528 20 0 EHADRM C[C@H]1CCCC[C@H]1OCC(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1 ZINC001594370786 999397575 /nfs/dbraw/zinc/39/75/75/999397575.db2.gz LSDBTFOCHCGXGA-XJKSGUPXSA-N -1 0 334.412 3.550 20 0 EHADRM C[C@H]1CCCCN(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC001594370921 999398480 /nfs/dbraw/zinc/39/84/80/999398480.db2.gz WNSCWIJIYPPZDB-JTQLQIEISA-N -1 0 342.342 3.640 20 0 EHADRM C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001594389131 999473999 /nfs/dbraw/zinc/47/39/99/999473999.db2.gz RTVBTNWYGZUVAB-KZULUSFZSA-N -1 0 341.382 3.967 20 0 EHADRM C[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001594394701 999487100 /nfs/dbraw/zinc/48/71/00/999487100.db2.gz LVGQJRNROHWEEX-RULNRJAQSA-N -1 0 344.238 3.809 20 0 EHADRM C[C@H]1CCN(C(=O)Cc2ccc(C(=O)[O-])cc2)c2ccccc2S1 ZINC001594402192 999506521 /nfs/dbraw/zinc/50/65/21/999506521.db2.gz RLDGSCGPCMMVEA-ZDUSSCGKSA-N -1 0 341.432 3.845 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2cc(C(=O)[O-])ccn2)CC12CCCCC2 ZINC001594402709 999509265 /nfs/dbraw/zinc/50/92/65/999509265.db2.gz HIUGRMYGKZKFCP-ZDUSSCGKSA-N -1 0 331.416 3.604 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc3cccc(Cl)c3s2)[C@@H](C(=O)[O-])C1 ZINC001594409532 999529892 /nfs/dbraw/zinc/52/98/92/999529892.db2.gz HFMPNDQSXHLWAK-JOYOIKCWSA-N -1 0 337.828 3.880 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc3c(cccc3Cl)s2)[C@@H](C(=O)[O-])C1 ZINC001594409880 999529971 /nfs/dbraw/zinc/52/99/71/999529971.db2.gz HXDZGFDGAAJKLZ-JOYOIKCWSA-N -1 0 337.828 3.880 20 0 EHADRM C[C@H]1CCc2sc(C(=O)NC[C@@H](CC3CCCC3)C(=O)[O-])cc2C1 ZINC001594450997 999649199 /nfs/dbraw/zinc/64/91/99/999649199.db2.gz RILZWYINDPZUDB-SWLSCSKDSA-N -1 0 349.496 3.884 20 0 EHADRM CCOc1ccc(CNc2ccc(CC(=O)[O-])cc2)cc1OCC ZINC000076275009 1016348585 /nfs/dbraw/zinc/34/85/85/1016348585.db2.gz KDUZJMDAIHQMGT-UHFFFAOYSA-N -1 0 329.396 3.723 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655578517 1016409132 /nfs/dbraw/zinc/40/91/32/1016409132.db2.gz BIVPWSBSAGBANY-IHETXDGRSA-N -1 0 345.483 3.994 20 0 EHADRM Cc1ccccc1CS(=O)(=O)[N-]C1(C(F)(F)F)CCCCC1 ZINC000510224494 1016518289 /nfs/dbraw/zinc/51/82/89/1016518289.db2.gz UKFQUYUWYQPVPL-UHFFFAOYSA-N -1 0 335.391 3.680 20 0 EHADRM Nc1n[nH]c2ccc(Nc3ccc(Br)cc3[S-])cc12 ZINC001209861803 1016596878 /nfs/dbraw/zinc/59/68/78/1016596878.db2.gz FSENONISOAGQOH-UHFFFAOYSA-N -1 0 335.230 3.940 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2cc(F)c([O-])c(F)c2)C1 ZINC000180042187 1016884395 /nfs/dbraw/zinc/88/43/95/1016884395.db2.gz VZYUCDWMHGAZHJ-GXTWGEPZSA-N -1 0 331.362 3.997 20 0 EHADRM C[C@@H](NC(=O)c1ccc(O)cc1F)c1cccc(OC(F)F)c1 ZINC000181138120 1016911702 /nfs/dbraw/zinc/91/17/02/1016911702.db2.gz ZNINSZBOFNLJTM-SECBINFHSA-N -1 0 325.286 3.624 20 0 EHADRM Cc1cc(Nc2ccc(C(=O)[O-])c(C)c2)n(C(=O)OC(C)(C)C)n1 ZINC001211648005 1016956162 /nfs/dbraw/zinc/95/61/62/1016956162.db2.gz QBTLLGHVYPSFTM-UHFFFAOYSA-N -1 0 331.372 3.725 20 0 EHADRM C[C@@H](NC(=O)C1CCC(C(=O)[O-])CC1)c1cc2ccccc2s1 ZINC000659760453 1016981864 /nfs/dbraw/zinc/98/18/64/1016981864.db2.gz ODDXQCCKJSEWSX-PNESKVBLSA-N -1 0 331.437 3.970 20 0 EHADRM CCN(C(=O)c1cc(-c2ccc(F)cc2)c(C)s1)[C@@H](C)C(=O)[O-] ZINC000659771387 1016992295 /nfs/dbraw/zinc/99/22/95/1016992295.db2.gz UYIWPMCYILOXIN-JTQLQIEISA-N -1 0 335.400 3.798 20 0 EHADRM CCOc1ccccc1-c1cccc(C(=O)N(CC)[C@H](C)C(=O)[O-])c1 ZINC000659771327 1016993222 /nfs/dbraw/zinc/99/32/22/1016993222.db2.gz TTWOHSQQOWZVMH-CQSZACIVSA-N -1 0 341.407 3.688 20 0 EHADRM C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655585534 1017011000 /nfs/dbraw/zinc/01/10/00/1017011000.db2.gz ZAXRICOROGJRNS-DVVUODLYSA-N -1 0 344.238 3.859 20 0 EHADRM Cc1ccc2c(c1Br)CN(CCCCCC(=O)[O-])C2 ZINC000659802953 1017046065 /nfs/dbraw/zinc/04/60/65/1017046065.db2.gz AVZJEWBPMGELJE-UHFFFAOYSA-N -1 0 326.234 3.718 20 0 EHADRM C[C@H](c1ccc(Cl)cc1Cl)[NH+]1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000343749482 1032162783 /nfs/dbraw/zinc/16/27/83/1032162783.db2.gz XMBUGBVTHJYCHD-SECBINFHSA-N -1 0 341.242 3.758 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)c1[nH]c2ccc(Cl)cc2c1Cl)C1CC1 ZINC000262618907 1032164656 /nfs/dbraw/zinc/16/46/56/1032164656.db2.gz MKYHUFNXKHOEGG-ZETCQYMHSA-N -1 0 341.194 3.552 20 0 EHADRM CCCC[C@@H](Sc1nc(-c2ccccn2)nc2c1CCC2)C(=O)[O-] ZINC000584362075 1032203062 /nfs/dbraw/zinc/20/30/62/1032203062.db2.gz MMBIQNXLDXVAMI-OAHLLOKOSA-N -1 0 343.452 3.763 20 0 EHADRM Cc1nc(CN=c2nc(C3CCCCC3)[n-]s2)nc2ccccc12 ZINC000568744281 1032233219 /nfs/dbraw/zinc/23/32/19/1032233219.db2.gz HNXGFKSCEWNWHC-UHFFFAOYSA-N -1 0 339.468 3.871 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)o1 ZINC000449142157 1032244290 /nfs/dbraw/zinc/24/42/90/1032244290.db2.gz SAGKVOZORFYJNS-LYYZXLFJSA-N -1 0 345.439 3.610 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)[C@H]1CCSc2ccccc21)C(=O)[O-] ZINC000449147819 1032252352 /nfs/dbraw/zinc/25/23/52/1032252352.db2.gz RPVUEQQHQZYKJW-UONOGXRCSA-N -1 0 335.469 3.662 20 0 EHADRM O=C([O-])CCCCCNC(=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000414623985 1017075019 /nfs/dbraw/zinc/07/50/19/1017075019.db2.gz IBESCOLQSQNYFA-HNNXBMFYSA-N -1 0 338.835 3.832 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)c1Cl ZINC000538299876 1032280557 /nfs/dbraw/zinc/28/05/57/1032280557.db2.gz XYGJLONFLGVWJH-UHFFFAOYSA-N -1 0 335.734 3.867 20 0 EHADRM C[C@H](CC(=O)N[C@H](C)[C@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC000455917145 1032297213 /nfs/dbraw/zinc/29/72/13/1032297213.db2.gz DEKXJWFXDZGEAG-MDZRGWNJSA-N -1 0 339.435 3.628 20 0 EHADRM CC[C@H](C)n1ncc2c1nc(/C=C/c1oc(C)nc1C)cc2C(=O)[O-] ZINC000905080001 1032332951 /nfs/dbraw/zinc/33/29/51/1032332951.db2.gz FTRAIRXVHKFINV-FGEFZZPRSA-N -1 0 340.383 3.876 20 0 EHADRM O=C(CC1(C(=O)[O-])CCCCCC1)NCC1C[C@H]2CC[C@@H](C1)S2 ZINC000905127032 1032356296 /nfs/dbraw/zinc/35/62/96/1032356296.db2.gz KZPKRXRDEFAGMR-GOOCMWNKSA-N -1 0 339.501 3.592 20 0 EHADRM CC(C)(C)OCc1ccccc1NC(=O)CC1(CC(=O)[O-])CCC1 ZINC000905132102 1032357851 /nfs/dbraw/zinc/35/78/51/1032357851.db2.gz YBKWCFISXPNFDB-UHFFFAOYSA-N -1 0 333.428 3.975 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])[S@@](=O)Cc1nc(-c2ccccc2)cs1 ZINC000584395311 1032375028 /nfs/dbraw/zinc/37/50/28/1032375028.db2.gz YTCPPIRJKDSCGO-FPTDNZKUSA-N -1 0 337.466 3.558 20 0 EHADRM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000151879864 1032391219 /nfs/dbraw/zinc/39/12/19/1032391219.db2.gz QDBBBDOFEYIAER-UHFFFAOYSA-N -1 0 346.235 3.595 20 0 EHADRM COc1cccc(N=c2[n-]nc(CC3CC3)n2Cc2cccs2)c1 ZINC000461319427 1032408067 /nfs/dbraw/zinc/40/80/67/1032408067.db2.gz VSFVCUOKAOVWGV-UHFFFAOYSA-N -1 0 340.452 3.515 20 0 EHADRM Cc1nn(C)c2cc([N-]S(=O)(=O)c3ccc(C)cc3Cl)ccc12 ZINC000461342038 1032408302 /nfs/dbraw/zinc/40/83/02/1032408302.db2.gz MJURCRRTWSGINA-UHFFFAOYSA-N -1 0 349.843 3.644 20 0 EHADRM Cc1nc2ccc([N-]S(=O)(=O)c3cnc4ccsc4c3)cc2o1 ZINC000084460644 1032430458 /nfs/dbraw/zinc/43/04/58/1032430458.db2.gz SIXRVRSBEUHDQY-UHFFFAOYSA-N -1 0 345.405 3.547 20 0 EHADRM Cc1ccc2cccc(S(=O)(=O)[N-]c3cccc(F)c3C)c2n1 ZINC000084921042 1032468227 /nfs/dbraw/zinc/46/82/27/1032468227.db2.gz OAZPWDFNQXWDRJ-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM C[C@H]1C[C@@]1(NC(=O)NCCCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000414632133 1017093456 /nfs/dbraw/zinc/09/34/56/1017093456.db2.gz XNIXJQHKAUTKHI-SJCJKPOMSA-N -1 0 338.835 3.519 20 0 EHADRM CC[C@H]1C[C@]1(NC(=O)NC1CCC(C(=O)[O-])CC1)c1cccc(C)c1 ZINC000414633454 1017095861 /nfs/dbraw/zinc/09/58/61/1017095861.db2.gz ZLSMOKBAUYYQLY-PVNDBCPPSA-N -1 0 344.455 3.563 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cc1C ZINC000537196208 1032555196 /nfs/dbraw/zinc/55/51/96/1032555196.db2.gz ZWXZZLCECIBTQF-NSHDSACASA-N -1 0 341.864 3.925 20 0 EHADRM Cc1c(CN(C)C(=O)[C@@H](C)S[C@H](C)C(=O)[O-])oc2c1cccc2C ZINC000602012165 1032581312 /nfs/dbraw/zinc/58/13/12/1032581312.db2.gz YNQPXHUHNWWJRK-CHWSQXEVSA-N -1 0 349.452 3.603 20 0 EHADRM CC(=O)c1ccc(NC(=O)c2cccc(Br)c2[O-])cc1 ZINC000592830548 1032583147 /nfs/dbraw/zinc/58/31/47/1032583147.db2.gz YQMDDPTXPNKMQV-UHFFFAOYSA-N -1 0 334.169 3.610 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)Nc1ccccc1OC1CCCC1)C(=O)[O-] ZINC000601988533 1032583802 /nfs/dbraw/zinc/58/38/02/1032583802.db2.gz AEQLJIWDNIXXMR-RYUDHWBXSA-N -1 0 337.441 3.541 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1cccc(C(F)F)c1Cl ZINC000601995304 1032586932 /nfs/dbraw/zinc/58/69/32/1032586932.db2.gz YMLPOSJOWMMUCK-RQJHMYQMSA-N -1 0 337.775 3.811 20 0 EHADRM CC(C)c1cc(Cl)ccc1NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-] ZINC000601995083 1032586952 /nfs/dbraw/zinc/58/69/52/1032586952.db2.gz QXAXDEHNECSGGL-UWVGGRQHSA-N -1 0 329.849 3.997 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)N1CCCC[C@H]1CCc1ccccc1)C(=O)[O-] ZINC000602002697 1032589188 /nfs/dbraw/zinc/58/91/88/1032589188.db2.gz FJNSCQATHPESBY-ZOBUZTSGSA-N -1 0 349.496 3.595 20 0 EHADRM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000606201259 1032603820 /nfs/dbraw/zinc/60/38/20/1032603820.db2.gz VCIUIFGOWMZMPW-LLVKDONJSA-N -1 0 349.356 3.612 20 0 EHADRM CC(C)CCN(C)C(=O)N=c1[n-]nc(C(C)(C)c2ccccc2)s1 ZINC000592927098 1032614071 /nfs/dbraw/zinc/61/40/71/1032614071.db2.gz GVKJRTXSKMCDAZ-UHFFFAOYSA-N -1 0 346.500 3.796 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)sc1C ZINC000091011134 1032614816 /nfs/dbraw/zinc/61/48/16/1032614816.db2.gz ZGPWXDDEZFUEAK-UHFFFAOYSA-N -1 0 333.381 3.767 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)c(F)c1 ZINC000655596225 1017124043 /nfs/dbraw/zinc/12/40/43/1017124043.db2.gz AVXNOSBNALTCNH-OLZOCXBDSA-N -1 0 337.391 3.690 20 0 EHADRM CCn1c2ccccc2nc1[C@H](C)NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000183582987 1017342880 /nfs/dbraw/zinc/34/28/80/1017342880.db2.gz ORLLYYJKPOEQDV-JTQLQIEISA-N -1 0 345.349 3.531 20 0 EHADRM Cc1ccc(-c2n[n-]c(=NCc3cnc(C(C)(C)C)s3)o2)cc1 ZINC000650240203 1017347068 /nfs/dbraw/zinc/34/70/68/1017347068.db2.gz WJWDJXQAXMQGPY-UHFFFAOYSA-N -1 0 328.441 3.833 20 0 EHADRM COc1ccccc1C1(CNC(=O)c2cc(F)c([O-])c(F)c2)CCC1 ZINC000183564269 1017352075 /nfs/dbraw/zinc/35/20/75/1017352075.db2.gz IGBGNMOFYLORBL-UHFFFAOYSA-N -1 0 347.361 3.531 20 0 EHADRM O=C(c1cc(Br)cc(Cl)c1[O-])N1CC2(C1)CCCC2 ZINC000377178642 1017387837 /nfs/dbraw/zinc/38/78/37/1017387837.db2.gz LOUMUDUHQMCUSB-UHFFFAOYSA-N -1 0 344.636 3.824 20 0 EHADRM O=C([O-])C/C(=C\c1ccc(O)c(CO)c1)c1nc2ccccc2s1 ZINC000183739271 1017386179 /nfs/dbraw/zinc/38/61/79/1017386179.db2.gz FSLFTNRKHOLOMG-KPKJPENVSA-N -1 0 341.388 3.510 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2cccc(Cl)c2O)c(Cl)c1 ZINC001210223530 1017607540 /nfs/dbraw/zinc/60/75/40/1017607540.db2.gz YLZABFMABARKPW-UHFFFAOYSA-N -1 0 334.180 3.689 20 0 EHADRM C[C@H]1CN(Cc2ncc(Br)cc2[O-])Cc2ccccc21 ZINC001207448583 1017624915 /nfs/dbraw/zinc/62/49/15/1017624915.db2.gz KWQZLAOFVFVFNM-NSHDSACASA-N -1 0 333.229 3.669 20 0 EHADRM CCc1nc2cc(NC(=O)CC3CCC(C(=O)[O-])CC3)ccc2o1 ZINC000579956420 1017746696 /nfs/dbraw/zinc/74/66/96/1017746696.db2.gz KMEJIPLACAHORW-UHFFFAOYSA-N -1 0 330.384 3.610 20 0 EHADRM Cc1ccc([C@@H](C)CNC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655869269 1017830356 /nfs/dbraw/zinc/83/03/56/1017830356.db2.gz BXMAMRJOFPUSEO-HDEZJCGLSA-N -1 0 346.471 3.533 20 0 EHADRM CC(C)[C@@H](CNC(=O)N[C@H](C)c1cc2ccccc2s1)C(=O)[O-] ZINC000655876883 1017842238 /nfs/dbraw/zinc/84/22/38/1017842238.db2.gz QPLAQJHMQFZDKR-DGCLKSJQSA-N -1 0 334.441 3.618 20 0 EHADRM Cc1cc(Nc2ccc(OCC3CCOCC3)nc2)ccc1C(=O)[O-] ZINC001211650027 1017955892 /nfs/dbraw/zinc/95/58/92/1017955892.db2.gz LWBJBRLAKURJME-UHFFFAOYSA-N -1 0 342.395 3.637 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)c1sc2cc(F)ccc2c1Cl)C1CC1 ZINC000394911100 1018005511 /nfs/dbraw/zinc/00/55/11/1018005511.db2.gz VEZFJMIZTCVAMC-SSDOTTSWSA-N -1 0 341.791 3.772 20 0 EHADRM CC[C@H](NC(=O)c1c([O-])cc(F)cc1F)c1ccc(F)cc1F ZINC000606535286 1032742883 /nfs/dbraw/zinc/74/28/83/1032742883.db2.gz UABJGANJRVDKHU-ZDUSSCGKSA-N -1 0 327.277 3.830 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N2CCCC[C@H]2[C@@H](C)CC)s1 ZINC000606542722 1032743989 /nfs/dbraw/zinc/74/39/89/1032743989.db2.gz HFJBIFSQXLKAPZ-QWRGUYRKSA-N -1 0 328.507 3.505 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N2CCCC[C@H]2[C@H](C)CC)s1 ZINC000606542721 1032744057 /nfs/dbraw/zinc/74/40/57/1032744057.db2.gz HFJBIFSQXLKAPZ-MNOVXSKESA-N -1 0 328.507 3.505 20 0 EHADRM COc1cc(Nc2ccc(C(=O)[O-])c(C)c2)cnc1Br ZINC001211650349 1018136003 /nfs/dbraw/zinc/13/60/03/1018136003.db2.gz ZQSUYJDOALOVGY-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM O=C([O-])[C@@]1(CC(=O)Nc2ccc(-c3ccco3)cc2F)CCSC1 ZINC000683728679 1018221986 /nfs/dbraw/zinc/22/19/86/1018221986.db2.gz HKTDCMFMSKZYRB-QGZVFWFLSA-N -1 0 349.383 3.622 20 0 EHADRM Cc1cc([N-]C(=O)c2nc([C@@H]3C[C@H](C)CC[C@H]3C(C)C)no2)no1 ZINC000656056062 1018395106 /nfs/dbraw/zinc/39/51/06/1018395106.db2.gz YTGFBZXRSKDBFY-KGYLQXTDSA-N -1 0 332.404 3.794 20 0 EHADRM CC(C)[C@H](CNc1nnc(-c2ccccc2Cl)s1)C(=O)[O-] ZINC000656093490 1018523251 /nfs/dbraw/zinc/52/32/51/1018523251.db2.gz WDMLLBWKRMSUDB-JTQLQIEISA-N -1 0 325.821 3.627 20 0 EHADRM O=C(c1c([O-])cc(F)cc1F)N(Cc1ccco1)Cc1cccnc1 ZINC000129403863 1018535173 /nfs/dbraw/zinc/53/51/73/1018535173.db2.gz GSSGLKSRDRBKPR-UHFFFAOYSA-N -1 0 344.317 3.501 20 0 EHADRM O=C(COc1ccc(Cl)c2cccnc12)[N-]OCc1ccccc1 ZINC000046028675 1018670337 /nfs/dbraw/zinc/67/03/37/1018670337.db2.gz IPTILYQOTULTFH-UHFFFAOYSA-N -1 0 342.782 3.515 20 0 EHADRM CCc1c(C(=O)Nc2cccc(CC(=O)[O-])c2)cnn1C(CC)CC ZINC000580160893 1018722764 /nfs/dbraw/zinc/72/27/64/1018722764.db2.gz LJUODNSXPZZZSY-UHFFFAOYSA-N -1 0 343.427 3.686 20 0 EHADRM CSc1ccc(CCCC(=O)N2CC[C@@](C(=O)[O-])(C(C)C)C2)cc1 ZINC000576403521 1018935201 /nfs/dbraw/zinc/93/52/01/1018935201.db2.gz WYFQIEHSHMUOQL-IBGZPJMESA-N -1 0 349.496 3.691 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)cc1 ZINC000048582215 1018994497 /nfs/dbraw/zinc/99/44/97/1018994497.db2.gz DDUOBQSKGGUXQA-HUUCEWRRSA-N -1 0 337.441 3.579 20 0 EHADRM Cn1nc(Br)cc1Nc1cc(Cl)c([O-])c(Cl)c1 ZINC001210924835 1019045577 /nfs/dbraw/zinc/04/55/77/1019045577.db2.gz TYJXWMLWPJJFJE-UHFFFAOYSA-N -1 0 337.004 3.939 20 0 EHADRM Cc1ccc(C[C@@H]2CCCN2C(=O)CC2CCC(C(=O)[O-])CC2)cc1 ZINC000580332135 1019067209 /nfs/dbraw/zinc/06/72/09/1019067209.db2.gz FYTRCGVXQMMNHR-ACBHZAAOSA-N -1 0 343.467 3.810 20 0 EHADRM CSc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000049306709 1019089296 /nfs/dbraw/zinc/08/92/96/1019089296.db2.gz VJOIOMZTUZEMPU-UHFFFAOYSA-N -1 0 349.264 3.911 20 0 EHADRM O=C([N-]S(=O)(=O)C1CCCCC1)c1cc(Cl)cc(Cl)c1 ZINC000049513566 1019108253 /nfs/dbraw/zinc/10/82/53/1019108253.db2.gz YHEZNKHDUGTADF-UHFFFAOYSA-N -1 0 336.240 3.961 20 0 EHADRM O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(=O)c2ccccc2[n-]1 ZINC000052634110 1019127619 /nfs/dbraw/zinc/12/76/19/1019127619.db2.gz GDQGPMLHKATZBC-UHFFFAOYSA-N -1 0 348.280 3.679 20 0 EHADRM COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1cc(O)ccc1Cl ZINC000340683666 1019278937 /nfs/dbraw/zinc/27/89/37/1019278937.db2.gz OYBQKJAPJMUQBF-FUHWJXTLSA-N -1 0 331.799 3.514 20 0 EHADRM CCC/C=C\C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000729350508 1019310097 /nfs/dbraw/zinc/31/00/97/1019310097.db2.gz JJSPUEHJTXBXHO-RZNTYIFUSA-N -1 0 344.436 3.782 20 0 EHADRM O=S(=O)([N-][C@H](C1CC1)C(F)(F)F)c1cc(Cl)cc(Cl)c1 ZINC000580426119 1019355098 /nfs/dbraw/zinc/35/50/98/1019355098.db2.gz PBGLXWANSUKJLF-SNVBAGLBSA-N -1 0 348.173 3.613 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NCc1ccc(N2CCCC2)nc1 ZINC000340695964 1019411893 /nfs/dbraw/zinc/41/18/93/1019411893.db2.gz GHPQAAHXSCGTIG-UHFFFAOYSA-N -1 0 325.412 3.609 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000263061312 1019434761 /nfs/dbraw/zinc/43/47/61/1019434761.db2.gz FOZHPZUWMTXLFE-DTWKUNHWSA-N -1 0 331.199 3.568 20 0 EHADRM CCC[C@@H](CNC(=O)CCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000087490088 1019440872 /nfs/dbraw/zinc/44/08/72/1019440872.db2.gz VXQRMUIYAFYACG-NSHDSACASA-N -1 0 332.227 3.543 20 0 EHADRM CCN(Cc1ccc(OC)cc1)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000172634792 1032832842 /nfs/dbraw/zinc/83/28/42/1032832842.db2.gz GXSHESGBYQJYNE-UHFFFAOYSA-N -1 0 342.420 3.787 20 0 EHADRM Cc1ccc(CN(C(=O)c2cccc(OCC(=O)[O-])c2)C(C)C)s1 ZINC000262123659 1019540297 /nfs/dbraw/zinc/54/02/97/1019540297.db2.gz LQOJFBXQEUPJIG-UHFFFAOYSA-N -1 0 347.436 3.571 20 0 EHADRM Cc1ccc(Oc2ccccc2)c(NC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])c1 ZINC000262150472 1019550935 /nfs/dbraw/zinc/55/09/35/1019550935.db2.gz PDOSPEKIUAHAPZ-CABCVRRESA-N -1 0 325.364 3.837 20 0 EHADRM C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)[C@H]3CC[C@H]3C(=O)[O-])c2)C1 ZINC000262182067 1019557568 /nfs/dbraw/zinc/55/75/68/1019557568.db2.gz RAHRRZZMHBFLIS-XFKAJCMBSA-N -1 0 345.439 3.831 20 0 EHADRM CCn1nc(C)c([N-]S(=O)(=O)c2cc3cccc(C)c3s2)c1C ZINC000647128160 1019576746 /nfs/dbraw/zinc/57/67/46/1019576746.db2.gz RSRTYPVYTBUUOR-UHFFFAOYSA-N -1 0 349.481 3.844 20 0 EHADRM COCc1nc(=N[C@@H](C)c2ccc(-c3csc(C)n3)cc2)s[n-]1 ZINC000433769356 1019582258 /nfs/dbraw/zinc/58/22/58/1019582258.db2.gz TYAFWPDJELYSJZ-JTQLQIEISA-N -1 0 346.481 3.711 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)c1F ZINC000513440478 1019677605 /nfs/dbraw/zinc/67/76/05/1019677605.db2.gz ZOZZJMOYAFKNCK-UHFFFAOYSA-N -1 0 349.305 3.675 20 0 EHADRM Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@@H]1C(=O)[O-] ZINC000262671826 1019701878 /nfs/dbraw/zinc/70/18/78/1019701878.db2.gz RKLFPJSKOLBGRP-JYJNAYRXSA-N -1 0 343.448 3.567 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-])c1ccc(Cl)c2ccccc21 ZINC000262816780 1019738411 /nfs/dbraw/zinc/73/84/11/1019738411.db2.gz BIPRJUPQEBKCHO-VQISRLSMSA-N -1 0 331.799 3.781 20 0 EHADRM CCC(CC)n1ncc(C(=O)Nc2ccc(C(=O)[O-])c(OC)c2)c1C ZINC000262851552 1019747631 /nfs/dbraw/zinc/74/76/31/1019747631.db2.gz DFAZVWKCGUNJIY-UHFFFAOYSA-N -1 0 345.399 3.512 20 0 EHADRM CC(C)(CCNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000262864537 1019749322 /nfs/dbraw/zinc/74/93/22/1019749322.db2.gz AYEYDILRQKMESQ-IAGOWNOFSA-N -1 0 325.408 3.560 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)[N-]OCc2cccnc2)c1 ZINC000155821970 1019889234 /nfs/dbraw/zinc/88/92/34/1019889234.db2.gz SGNCZASAFNXYKM-OAHLLOKOSA-N -1 0 328.412 3.529 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N[C@H]1CCC[C@@H](C)CC1)C(=O)[O-] ZINC000263525451 1019923837 /nfs/dbraw/zinc/92/38/37/1019923837.db2.gz JNYMVZFPMLLLJD-MCIONIFRSA-N -1 0 335.469 3.950 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2c(F)cc(Cl)cc2F)CCCC1 ZINC000340762639 1019955538 /nfs/dbraw/zinc/95/55/38/1019955538.db2.gz XUBDGGHEHWYAFO-UHFFFAOYSA-N -1 0 331.746 3.982 20 0 EHADRM CCc1c([N-]S(=O)(=O)CCC2CCCC2)onc1C(F)(F)F ZINC000580880360 1020175088 /nfs/dbraw/zinc/17/50/88/1020175088.db2.gz SNSJVXAIMCTTNC-UHFFFAOYSA-N -1 0 340.367 3.578 20 0 EHADRM CC[C@@H](NC(=O)N(C)C1(C(=O)[O-])CCCCC1)c1ccc(C)cc1 ZINC000580931066 1020262988 /nfs/dbraw/zinc/26/29/88/1020262988.db2.gz VQWKNOOTXAXMEY-MRXNPFEDSA-N -1 0 332.444 3.875 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N2CCCCC[C@H]2C)s1 ZINC000471631520 1020276072 /nfs/dbraw/zinc/27/60/72/1020276072.db2.gz KJZMXNBXUFEQIX-GFCCVEGCSA-N -1 0 348.447 3.871 20 0 EHADRM CCC(C)(C)c1ccc(NC(=O)C[C@]2(C(=O)[O-])CCSC2)cc1 ZINC000684133539 1020348142 /nfs/dbraw/zinc/34/81/42/1020348142.db2.gz QXLMMXZCKUTTGI-GOSISDBHSA-N -1 0 335.469 3.911 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000393180137 1020379814 /nfs/dbraw/zinc/37/98/14/1020379814.db2.gz KUITXNZDRXCJTP-IXDOHACOSA-N -1 0 329.440 3.947 20 0 EHADRM O=C([O-])c1cc(F)c(Nc2ccc(F)nc2Br)c(F)c1 ZINC001215611932 1020446725 /nfs/dbraw/zinc/44/67/25/1020446725.db2.gz FRAMYPOXAJDFTK-UHFFFAOYSA-N -1 0 347.090 3.703 20 0 EHADRM COCCOc1ccc(-c2ccc(C(=O)CCCC(=O)[O-])cc2)cc1 ZINC000581143069 1020477653 /nfs/dbraw/zinc/47/76/53/1020477653.db2.gz TWFZONOQNSNADE-UHFFFAOYSA-N -1 0 342.391 3.816 20 0 EHADRM CC(C)[C@H](C(=O)[O-])[S@@](=O)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000581175836 1020502538 /nfs/dbraw/zinc/50/25/38/1020502538.db2.gz YTGOWPQFESKZSM-SEPYTNNBSA-N -1 0 334.412 3.773 20 0 EHADRM COc1c(F)cc(F)cc1[N-]S(=O)(=O)/C=C/c1ccc(C)cc1 ZINC000760365573 1032911689 /nfs/dbraw/zinc/91/16/89/1032911689.db2.gz VTEWFNQZUQZKQV-BQYQJAHWSA-N -1 0 339.363 3.694 20 0 EHADRM CC(C)CCn1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)n1 ZINC000340931900 1020647136 /nfs/dbraw/zinc/64/71/36/1020647136.db2.gz DITRTBSUEHJQJR-UHFFFAOYSA-N -1 0 343.399 3.668 20 0 EHADRM CCOC(=O)c1cnc(/C=C\c2ccc3ncccc3c2)c(C(=O)[O-])c1 ZINC000340949651 1020668348 /nfs/dbraw/zinc/66/83/48/1020668348.db2.gz GUMZLCDSUYGMEI-VURMDHGXSA-N -1 0 348.358 3.675 20 0 EHADRM O=S(=O)([N-]c1cc(-c2ccccc2)[nH]n1)c1ccc(C(F)F)cc1 ZINC000340953629 1020675285 /nfs/dbraw/zinc/67/52/85/1020675285.db2.gz LORWEHVNBVCRCN-UHFFFAOYSA-N -1 0 349.362 3.815 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc3c(c2)CCOC3)CCCCCC1 ZINC000656484834 1020705890 /nfs/dbraw/zinc/70/58/90/1020705890.db2.gz GJOQFOSIHMWDQY-UHFFFAOYSA-N -1 0 331.412 3.513 20 0 EHADRM CN(CC(C)(C)C)C(=O)Nc1ccc(C(=O)[O-])cc1Br ZINC000071394305 1020747341 /nfs/dbraw/zinc/74/73/41/1020747341.db2.gz STTAJWOWOSVBLP-UHFFFAOYSA-N -1 0 343.221 3.657 20 0 EHADRM Cc1cc(NC(=O)N([C@@H](C)C(=O)[O-])C2CCC2)cc(C(F)(F)F)c1 ZINC000656505685 1020766236 /nfs/dbraw/zinc/76/62/36/1020766236.db2.gz CJXGSVDHBPENDP-JTQLQIEISA-N -1 0 344.333 3.873 20 0 EHADRM C[C@H](NC(=O)C[C@@H]1CCCC[C@H]1C)c1ccc(OCC(=O)[O-])cc1 ZINC000581413102 1020849791 /nfs/dbraw/zinc/84/97/91/1020849791.db2.gz XGUSEJFYVQIXHV-YCPHGPKFSA-N -1 0 333.428 3.544 20 0 EHADRM O=C(c1s[n-]c(=O)c1Cl)N1CCCC[C@@H]1Cc1ccccc1 ZINC000283158078 1020865261 /nfs/dbraw/zinc/86/52/61/1020865261.db2.gz SZLNWUSYCNXXLD-GFCCVEGCSA-N -1 0 336.844 3.740 20 0 EHADRM CC(C)Cc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC000013225799 1032940139 /nfs/dbraw/zinc/94/01/39/1032940139.db2.gz OFHKJJYWISRQRT-BZSNNMDCSA-N -1 0 329.440 3.743 20 0 EHADRM CCOc1ccc(C[NH2+][C@H](CC(=O)[O-])c2cccc(OC)c2)c(C)c1 ZINC000656565123 1020921781 /nfs/dbraw/zinc/92/17/81/1020921781.db2.gz FCFKPAZUTBMSMM-LJQANCHMSA-N -1 0 343.423 3.708 20 0 EHADRM COCc1csc(CNc2cc(C(=O)[O-])ccc2OC(C)C)c1 ZINC000656566003 1020922796 /nfs/dbraw/zinc/92/27/96/1020922796.db2.gz AFZHXFQXQGEXPO-UHFFFAOYSA-N -1 0 335.425 3.992 20 0 EHADRM COc1ccc(C(=O)[O-])cc1NCc1cccc(OC2CC2)c1F ZINC000656571970 1020941801 /nfs/dbraw/zinc/94/18/01/1020941801.db2.gz FAXBJJSQEBEAPU-UHFFFAOYSA-N -1 0 331.343 3.686 20 0 EHADRM O=C(C[C@@H]1CSCCS1)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000760427798 1032946343 /nfs/dbraw/zinc/94/63/43/1032946343.db2.gz XWNQFDFIZGCDDD-MRVPVSSYSA-N -1 0 338.281 3.876 20 0 EHADRM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2sc(C)nc2C)c1 ZINC000656624168 1021050619 /nfs/dbraw/zinc/05/06/19/1021050619.db2.gz MDBUFMLMWUPARK-JTQLQIEISA-N -1 0 340.470 3.738 20 0 EHADRM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2c(C)cccc2O)c1 ZINC000656623866 1021051820 /nfs/dbraw/zinc/05/18/20/1021051820.db2.gz JWIVGAGQBAQIBH-ZDUSSCGKSA-N -1 0 335.425 3.679 20 0 EHADRM CCC[C@H](C)c1cc(NS(=O)(=O)Cc2ccccc2Cl)[nH]n1 ZINC000581527982 1021055249 /nfs/dbraw/zinc/05/52/49/1021055249.db2.gz NDFKAVFYEWICHW-NSHDSACASA-N -1 0 341.864 3.909 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnc(C(F)(F)F)c(C)c2)s1 ZINC000656637188 1021069335 /nfs/dbraw/zinc/06/93/35/1021069335.db2.gz DFMBNYAYQDFNLL-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM O=C([O-])c1ccc(F)c(-c2cc(F)ccc2OC[C@@H]2CCOC2)c1 ZINC000581618532 1021156927 /nfs/dbraw/zinc/15/69/27/1021156927.db2.gz FTSLNTHNPLLICW-LLVKDONJSA-N -1 0 334.318 3.745 20 0 EHADRM C(CSc1n[n-]c(=NC[C@H]2CCCO2)s1)CC1CCCC1 ZINC000468090140 1021215478 /nfs/dbraw/zinc/21/54/78/1021215478.db2.gz YLCKOUASRRQVGE-CYBMUJFWSA-N -1 0 327.519 3.613 20 0 EHADRM Cc1ccnc([N-]S(=O)(=O)c2ccc(Cl)s2)c1C1CC1 ZINC000656737820 1021234834 /nfs/dbraw/zinc/23/48/34/1021234834.db2.gz AXUVWULHADVZIT-UHFFFAOYSA-N -1 0 328.846 3.783 20 0 EHADRM Cc1cnn(C)c1[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000656739818 1021236690 /nfs/dbraw/zinc/23/66/90/1021236690.db2.gz ZJTLPZTWRJHOOB-UHFFFAOYSA-N -1 0 333.457 3.577 20 0 EHADRM CCn1ncc(C)c1[N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000656741722 1021244512 /nfs/dbraw/zinc/24/45/12/1021244512.db2.gz NKYZJIFETLXBOO-UHFFFAOYSA-N -1 0 335.473 3.554 20 0 EHADRM Cc1cc(F)ccc1-n1ccc(C(=O)Nc2cccc(Cl)c2[O-])n1 ZINC000436801906 1021245828 /nfs/dbraw/zinc/24/58/28/1021245828.db2.gz GDFXVTDKEIUYHU-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM CN(CCc1ccccc1O)C(=O)c1c([O-])cc(Cl)cc1Cl ZINC000436832397 1021266414 /nfs/dbraw/zinc/26/64/14/1021266414.db2.gz IUIXBGUXJADUDY-UHFFFAOYSA-N -1 0 340.206 3.719 20 0 EHADRM CSc1ccccc1S(=O)(=O)Nc1ccc([C@H]2CCOC2)cc1 ZINC000581648474 1021266600 /nfs/dbraw/zinc/26/66/00/1021266600.db2.gz AVRGJGCDPZNVTR-AWEZNQCLSA-N -1 0 349.477 3.713 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(Cc2cc(F)ccc2Cl)C1 ZINC000656756790 1021278943 /nfs/dbraw/zinc/27/89/43/1021278943.db2.gz HIIXBSPDCLIDIM-ZJUUUORDSA-N -1 0 339.716 3.564 20 0 EHADRM COc1ccc([C@H]2CCCN2Cc2cc(C)c(C(=O)[O-])o2)cc1F ZINC000656763157 1021288124 /nfs/dbraw/zinc/28/81/24/1021288124.db2.gz MAFRGJVFTBJEDZ-OAHLLOKOSA-N -1 0 333.359 3.771 20 0 EHADRM CCCC[C@@H](C(=O)[O-])N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000518546307 1021290343 /nfs/dbraw/zinc/29/03/43/1021290343.db2.gz DWOWKKMHCYEHER-LSDHHAIUSA-N -1 0 345.361 3.722 20 0 EHADRM O=C([O-])[C@@H]1CC[N@H+](Cc2ncccc2C(F)(F)F)[C@@H]2CCCC[C@@H]12 ZINC000656764885 1021297440 /nfs/dbraw/zinc/29/74/40/1021297440.db2.gz LMRXBTSHLUDJQZ-YWPYICTPSA-N -1 0 342.361 3.566 20 0 EHADRM COc1cc(/C=C\c2nc3cc(C(=O)[O-])ccc3o2)cc(OC)c1 ZINC000439276527 1021311148 /nfs/dbraw/zinc/31/11/48/1021311148.db2.gz QJBJKFYJZOYBBV-UTCJRWHESA-N -1 0 325.320 3.714 20 0 EHADRM Cc1c(C(=O)[O-])sc2ncnc(NCC[C@]3(C)CC3(F)F)c12 ZINC000656782091 1021321847 /nfs/dbraw/zinc/32/18/47/1021321847.db2.gz CDCNHRVSUBQDPA-CYBMUJFWSA-N -1 0 327.356 3.545 20 0 EHADRM C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1c([O-])cccc1F ZINC000436898899 1021362516 /nfs/dbraw/zinc/36/25/16/1021362516.db2.gz IBKMVIQNPWZVMY-BDJLRTHQSA-N -1 0 349.789 3.787 20 0 EHADRM C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1c([O-])cccc1F ZINC000436898902 1021363757 /nfs/dbraw/zinc/36/37/57/1021363757.db2.gz IBKMVIQNPWZVMY-BZNIZROVSA-N -1 0 349.789 3.787 20 0 EHADRM O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)c1cc(F)cc(Cl)c1[O-] ZINC000436925231 1021384404 /nfs/dbraw/zinc/38/44/04/1021384404.db2.gz JQWVFERWVXWPBC-CZUORRHYSA-N -1 0 349.789 3.835 20 0 EHADRM CCCOc1ccc(C(C)(C)NC(=O)c2ccc(O)cc2F)cc1 ZINC000436932857 1021394452 /nfs/dbraw/zinc/39/44/52/1021394452.db2.gz QZOCTICRPRCXCG-UHFFFAOYSA-N -1 0 331.387 3.985 20 0 EHADRM Cc1cc(NC(=O)CC(C)(C)CC(=O)[O-])ccc1-c1ccncc1 ZINC000427445840 1021395524 /nfs/dbraw/zinc/39/55/24/1021395524.db2.gz GMMMIRPSBFRMFP-UHFFFAOYSA-N -1 0 326.396 3.887 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc(Br)cc(Cl)c2[O-])C[C@@H]1C ZINC000436960717 1021409875 /nfs/dbraw/zinc/40/98/75/1021409875.db2.gz HVXJSBHVBOTFML-BDAKNGLRSA-N -1 0 346.652 3.926 20 0 EHADRM CCOC(=O)Cc1cccc(NC(=O)c2ccc3ccccc3c2O)c1 ZINC000436957136 1021420469 /nfs/dbraw/zinc/42/04/69/1021420469.db2.gz SCFAHEFWWKMVIZ-UHFFFAOYSA-N -1 0 349.386 3.903 20 0 EHADRM O=C(NCC[C@H](c1ccccc1)C(F)(F)F)c1ccc(O)cc1O ZINC000436955961 1021421308 /nfs/dbraw/zinc/42/13/08/1021421308.db2.gz OCUMOXHJZDTSHD-CQSZACIVSA-N -1 0 339.313 3.564 20 0 EHADRM COC1(C)CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])C1 ZINC000436974452 1021429340 /nfs/dbraw/zinc/42/93/40/1021429340.db2.gz YXFXQHAHRXCIPK-UHFFFAOYSA-N -1 0 331.799 3.574 20 0 EHADRM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1c([O-])cccc1F)[C@@H]2C ZINC000436992494 1021448570 /nfs/dbraw/zinc/44/85/70/1021448570.db2.gz ZLCXVRIDEJCKDE-VXGBXAGGSA-N -1 0 329.371 3.688 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1sc2c(c1C(N)=O)C[C@@H](C)CC2 ZINC001211621081 1032980539 /nfs/dbraw/zinc/98/05/39/1032980539.db2.gz VUHJGZSUDORGQF-VIFPVBQESA-N -1 0 344.436 3.722 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCn1ccc2ccccc21)C1CCCCC1 ZINC000345997644 1021487886 /nfs/dbraw/zinc/48/78/86/1021487886.db2.gz MIAPIDRMXNMSIX-KRWDZBQOSA-N -1 0 342.439 3.571 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N[C@@H]1CCC[C@]1(C)C(=O)[O-] ZINC000659236831 1021495848 /nfs/dbraw/zinc/49/58/48/1021495848.db2.gz NSAKMVVUEVZMMC-DYVFJYSZSA-N -1 0 335.400 3.722 20 0 EHADRM FC(F)Oc1ccc(CN=c2[n-]nc(C3CC3)s2)cc1Cl ZINC000516592778 1021587633 /nfs/dbraw/zinc/58/76/33/1021587633.db2.gz MFJQALBXCMLWKR-UHFFFAOYSA-N -1 0 331.775 3.704 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000327401735 1021631783 /nfs/dbraw/zinc/63/17/83/1021631783.db2.gz KLVKFZJFZYSEEO-UHFFFAOYSA-N -1 0 343.310 3.596 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cn2)c1 ZINC000437306751 1021719986 /nfs/dbraw/zinc/71/99/86/1021719986.db2.gz MRAGFFFFNFHNPM-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC[C@H](C)[C@@H]3C)n2)cc1 ZINC000439801105 1021726173 /nfs/dbraw/zinc/72/61/73/1021726173.db2.gz KSYHKDUSCOUCRF-GJZGRUSLSA-N -1 0 341.455 3.962 20 0 EHADRM Cc1cc(NS(=O)(=O)c2ccccc2C)c2cccnc2c1C ZINC000437319985 1021727611 /nfs/dbraw/zinc/72/76/11/1021727611.db2.gz TVXGGCZBGVSEOE-UHFFFAOYSA-N -1 0 326.421 3.961 20 0 EHADRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cn1 ZINC000437338541 1021745454 /nfs/dbraw/zinc/74/54/54/1021745454.db2.gz RTPRHIIMVCHYIV-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)C[C@@H](C)CCC ZINC000548217291 1021748144 /nfs/dbraw/zinc/74/81/44/1021748144.db2.gz LUYGROSYAKUZPX-AWEZNQCLSA-N -1 0 341.473 3.757 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cncc3ccccc32)c(Cl)c1 ZINC000516805951 1021757037 /nfs/dbraw/zinc/75/70/37/1021757037.db2.gz GQRDYGJEJZZWCJ-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM CCCCOc1ccc([C@@H](C)N=c2nc(CC)[n-]s2)cc1OC ZINC000426520557 1021795462 /nfs/dbraw/zinc/79/54/62/1021795462.db2.gz DNRSTECMMDGVPO-GFCCVEGCSA-N -1 0 335.473 3.883 20 0 EHADRM Cc1cccnc1[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000439884909 1021798594 /nfs/dbraw/zinc/79/85/94/1021798594.db2.gz XOUOYCGTDXLMHN-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM CC1(C)C[N@H+](CCOc2cccc(C(=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000516872871 1021805041 /nfs/dbraw/zinc/80/50/41/1021805041.db2.gz SFGQKIBDAUCRMN-CQSZACIVSA-N -1 0 345.361 3.674 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccnn1[C@H](C)CC(C)C ZINC000437411271 1021806572 /nfs/dbraw/zinc/80/65/72/1021806572.db2.gz NBDHQVKQFCNHOA-GFCCVEGCSA-N -1 0 339.436 3.739 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2C[C@]23CCc2ccccc23)cc(C(=O)[O-])c1C ZINC000439899690 1021814783 /nfs/dbraw/zinc/81/47/83/1021814783.db2.gz WGVUDDMXHJQOMP-RXVVDRJESA-N -1 0 335.403 3.844 20 0 EHADRM Cc1c(C(=O)[O-])sc2ncnc(N3CCc4ccccc4[C@H]3C)c12 ZINC000581826748 1021827607 /nfs/dbraw/zinc/82/76/07/1021827607.db2.gz OIDMWKNMNNFBQV-LLVKDONJSA-N -1 0 339.420 3.822 20 0 EHADRM CCC(CC)CS(=O)(=O)Nc1ccc(C[C@@H](CC)C(=O)[O-])cc1 ZINC000548260255 1021933382 /nfs/dbraw/zinc/93/33/82/1021933382.db2.gz VHEDMLLNQIQEMQ-OAHLLOKOSA-N -1 0 341.473 3.518 20 0 EHADRM CC(C)(C)CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000581862588 1021936203 /nfs/dbraw/zinc/93/62/03/1021936203.db2.gz JWQNIVKYXNIVLJ-UHFFFAOYSA-N -1 0 333.837 3.606 20 0 EHADRM CSc1ccccc1[N-]S(=O)(=O)c1ccccc1SC ZINC000188258451 1021961968 /nfs/dbraw/zinc/96/19/68/1021961968.db2.gz ZJTAQRNEZSFTMF-UHFFFAOYSA-N -1 0 325.480 3.931 20 0 EHADRM COC[C@H](C)Nc1ccccc1NC(=O)c1cc(Cl)ccc1[O-] ZINC000437606905 1021989964 /nfs/dbraw/zinc/98/99/64/1021989964.db2.gz RHYKXLBQMPHBPT-NSHDSACASA-N -1 0 334.803 3.745 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N2Cc3ccccc3C[C@@H]2C)s1 ZINC000437623345 1022010828 /nfs/dbraw/zinc/01/08/28/1022010828.db2.gz BTLMIRDGKQAKSM-LBPRGKRZSA-N -1 0 344.484 3.842 20 0 EHADRM CCSCC[C@H](C)N(C)C(=O)N=c1[n-]nc(C(CC)CC)s1 ZINC000437643830 1022013844 /nfs/dbraw/zinc/01/38/44/1022013844.db2.gz TZZIAXKQEMZOFB-NSHDSACASA-N -1 0 344.550 3.859 20 0 EHADRM Cc1cc(=NC(=O)c2c(F)ccc(SCC3CC3)c2F)[n-]nc1C ZINC000520187052 1022014651 /nfs/dbraw/zinc/01/46/51/1022014651.db2.gz CKABAKNATOGVLE-UHFFFAOYSA-N -1 0 349.406 3.548 20 0 EHADRM O=S(=O)([N-]c1ccc(CCC(F)(F)F)cc1)c1cncc(F)c1 ZINC000440272926 1022059062 /nfs/dbraw/zinc/05/90/62/1022059062.db2.gz QJDCLSHHIHEMAQ-UHFFFAOYSA-N -1 0 348.321 3.516 20 0 EHADRM CC[C@@H](C)n1ncc(N=c2[n-]nc(C(F)(F)F)s2)c1C1CC1 ZINC000517155372 1022065893 /nfs/dbraw/zinc/06/58/93/1022065893.db2.gz JUYRSCQKHFMWDY-SSDOTTSWSA-N -1 0 331.367 3.767 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nccn2-c2ccccc2)cc1Cl ZINC000430672643 1022117416 /nfs/dbraw/zinc/11/74/16/1022117416.db2.gz VOONBSBJDUBVKI-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM O=S(=O)([N-]c1nc(C2CCC2)cs1)c1ccc2ncccc2c1 ZINC000517215178 1022123920 /nfs/dbraw/zinc/12/39/20/1022123920.db2.gz JISFTDTZNZBJBP-UHFFFAOYSA-N -1 0 345.449 3.760 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1ccc2ncsc2c1 ZINC000188371395 1022128172 /nfs/dbraw/zinc/12/81/72/1022128172.db2.gz BKYURILDUSQYAS-UHFFFAOYSA-N -1 0 336.463 3.819 20 0 EHADRM CCc1nc(C[NH2+]Cc2ccc(Cl)c(Cl)c2)ccc1C(=O)[O-] ZINC000426651139 1022148487 /nfs/dbraw/zinc/14/84/87/1022148487.db2.gz KHZHHASHQWAGMY-UHFFFAOYSA-N -1 0 339.222 3.939 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)c1cccc(C(F)(F)F)c1 ZINC000440400908 1022167052 /nfs/dbraw/zinc/16/70/52/1022167052.db2.gz BTVHTVYHJGZQDI-UHFFFAOYSA-N -1 0 343.308 3.837 20 0 EHADRM O=C(CCc1ccc(Cl)s1)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000440409100 1022170646 /nfs/dbraw/zinc/17/06/46/1022170646.db2.gz LPFNKORIKYOACO-UHFFFAOYSA-N -1 0 343.839 3.852 20 0 EHADRM C[C@@H](N=c1nc(C(C)(C)C)[n-]s1)c1nccn1-c1ccccc1 ZINC000581905435 1022257747 /nfs/dbraw/zinc/25/77/47/1022257747.db2.gz FISJCENPHTXMAI-GFCCVEGCSA-N -1 0 327.457 3.616 20 0 EHADRM Fc1ccc(CC2(CN=c3[n-]nc(-c4ccccn4)s3)CC2)cc1 ZINC000546180037 1022262653 /nfs/dbraw/zinc/26/26/53/1022262653.db2.gz DGIFGWLFGLIKKV-UHFFFAOYSA-N -1 0 340.427 3.596 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)c1[nH]c2ccc(F)cc2c1Cl)C(=O)[O-] ZINC000517376604 1022293624 /nfs/dbraw/zinc/29/36/24/1022293624.db2.gz CHVCPWCEYFSIDR-PELKAZGASA-N -1 0 340.782 3.580 20 0 EHADRM CCCCN(CC)C(=O)N=c1[n-]nc(Cc2ccc(C)cc2)s1 ZINC000517473117 1022353824 /nfs/dbraw/zinc/35/38/24/1022353824.db2.gz JCEHRKFTGLHLKU-UHFFFAOYSA-N -1 0 332.473 3.513 20 0 EHADRM Cc1ccc(Cc2n[n-]c(=NC(=O)N(C)CC3CCCC3)s2)cc1 ZINC000517472894 1022354834 /nfs/dbraw/zinc/35/48/34/1022354834.db2.gz FAOJCDSHYHZGBM-UHFFFAOYSA-N -1 0 344.484 3.513 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C[C@H]1C(=O)[O-] ZINC000517567778 1022464195 /nfs/dbraw/zinc/46/41/95/1022464195.db2.gz RASVZKIWZZGAIX-DGCLKSJQSA-N -1 0 347.798 3.783 20 0 EHADRM CCCN(C(=O)c1s[n-]c(=O)c1Cl)[C@@H]1C[C@H](OCC)C1(C)C ZINC000328748425 1022481175 /nfs/dbraw/zinc/48/11/75/1022481175.db2.gz BHGYSNWHTJDVIN-ZJUUUORDSA-N -1 0 346.880 3.558 20 0 EHADRM C[C@@]1(C(=O)Nc2cc(Cl)cc(Br)c2[O-])CCCOC1 ZINC000408164309 1022503288 /nfs/dbraw/zinc/50/32/88/1022503288.db2.gz KVOMJFALZCKBOF-CYBMUJFWSA-N -1 0 348.624 3.563 20 0 EHADRM Brc1ccc(C2(CN=c3[n-]nc(C4CC4)o3)CCC2)cc1 ZINC000341600471 1022508171 /nfs/dbraw/zinc/50/81/71/1022508171.db2.gz QEODSIGNTRWNGE-UHFFFAOYSA-N -1 0 348.244 3.665 20 0 EHADRM Cc1ccc2oc(C(=O)N[C@H](C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)cc2c1 ZINC000655580150 1022605083 /nfs/dbraw/zinc/60/50/83/1022605083.db2.gz HUEQZKUGGHFJNU-KWCYVHTRSA-N -1 0 329.396 3.606 20 0 EHADRM CCCc1cnc([N-]S(=O)(=O)c2cc(C)c(Cl)s2)s1 ZINC000473760886 1022677331 /nfs/dbraw/zinc/67/73/31/1022677331.db2.gz CUTLCQPXBRPEKG-UHFFFAOYSA-N -1 0 336.891 3.920 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(Cl)c2[O-])c(C)n1[C@H]1CCOC1 ZINC000528904376 1033074481 /nfs/dbraw/zinc/07/44/81/1033074481.db2.gz JWLYXDWBXXRWLR-LBPRGKRZSA-N -1 0 334.803 3.678 20 0 EHADRM CC[C@@H](C)c1ccc([C@H](NC(=O)CSCC(=O)[O-])C(C)C)cc1 ZINC000550201428 1022725514 /nfs/dbraw/zinc/72/55/14/1022725514.db2.gz OVVKGGAGZCWTLG-FZKQIMNGSA-N -1 0 337.485 3.831 20 0 EHADRM C/C=C\C[C@H](NC(=O)Nc1ccc(C)c(C(F)(F)F)c1)C(=O)[O-] ZINC000517831589 1022729955 /nfs/dbraw/zinc/72/99/55/1022729955.db2.gz YYKYTVLTMLVKFX-MVZIDQBPSA-N -1 0 330.306 3.555 20 0 EHADRM CCc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000048517860 1022734919 /nfs/dbraw/zinc/73/49/19/1022734919.db2.gz BQAOBUMQZSEPCE-UHFFFAOYSA-N -1 0 329.830 3.657 20 0 EHADRM Cc1nn(-c2ccccc2)c(C)c1N=c1[n-]nc(-c2ccccn2)s1 ZINC000520450136 1022833921 /nfs/dbraw/zinc/83/39/21/1022833921.db2.gz CGKXRMGRDYWUOA-UHFFFAOYSA-N -1 0 348.435 3.568 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)N2C[C@H](C)CC2(C)C)s[n-]1 ZINC000473820114 1022861586 /nfs/dbraw/zinc/86/15/86/1022861586.db2.gz BKHWEBIOWQGOLM-SECBINFHSA-N -1 0 336.486 3.649 20 0 EHADRM Cc1ccc(O)c([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000089102755 1022874861 /nfs/dbraw/zinc/87/48/61/1022874861.db2.gz UZILNBRGYWKHPJ-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM Cc1nc(CNCc2csc(-c3ccccc3)n2)sc1C(=O)[O-] ZINC000426671645 1022887924 /nfs/dbraw/zinc/88/79/24/1022887924.db2.gz NBTSNLUMLDJMTM-UHFFFAOYSA-N -1 0 345.449 3.563 20 0 EHADRM CCCN(CC(C)C)C(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000473837077 1022916344 /nfs/dbraw/zinc/91/63/44/1022916344.db2.gz QGHPHODFOJCCRH-UHFFFAOYSA-N -1 0 338.502 3.897 20 0 EHADRM c1ccc(-c2nc(=NC[C@H]3CC[C@H](c4ccccc4)O3)s[n-]2)cc1 ZINC000517996261 1022919744 /nfs/dbraw/zinc/91/97/44/1022919744.db2.gz RTKFPFCMHGVEFH-IAGOWNOFSA-N -1 0 337.448 3.959 20 0 EHADRM O=S(=O)([N-]c1nc2c(cccc2Cl)s1)c1ccc(F)cc1 ZINC000008864691 1022944017 /nfs/dbraw/zinc/94/40/17/1022944017.db2.gz WRDZEUNTSOEGIK-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM Cc1ccc([C@H](NCc2ccc(Br)s2)C(=O)[O-])cc1 ZINC000426686188 1022963033 /nfs/dbraw/zinc/96/30/33/1022963033.db2.gz MEHANLXCUBTNCH-ZDUSSCGKSA-N -1 0 340.242 3.735 20 0 EHADRM CCc1occc1C(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000430577439 1022951412 /nfs/dbraw/zinc/95/14/12/1022951412.db2.gz UXFSKXJZTHGHIY-UHFFFAOYSA-N -1 0 333.800 3.688 20 0 EHADRM CCCOc1cccc(CN[C@H](C(=O)[O-])c2c(F)cccc2F)c1 ZINC000426732766 1023002697 /nfs/dbraw/zinc/00/26/97/1023002697.db2.gz JTGPRPPTZULNJB-KRWDZBQOSA-N -1 0 335.350 3.669 20 0 EHADRM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000438806688 1023019303 /nfs/dbraw/zinc/01/93/03/1023019303.db2.gz BRLWPJBUUZOAAB-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1ccccc1-c1cn[nH]c1 ZINC000438807551 1023020935 /nfs/dbraw/zinc/02/09/35/1023020935.db2.gz DVMOKDYFJYVCGF-UHFFFAOYSA-N -1 0 345.449 3.599 20 0 EHADRM Cc1cc2[nH]c(CN[C@H](C(=O)[O-])c3ccccc3F)cc2c(C)c1 ZINC000426780995 1023040862 /nfs/dbraw/zinc/04/08/62/1023040862.db2.gz XCBJAFNUHUADLI-SFHVURJKSA-N -1 0 326.371 3.839 20 0 EHADRM Cc1ccc(-c2ncc(CN[C@@H](C(=O)[O-])c3ccccc3)s2)o1 ZINC000426783731 1023042374 /nfs/dbraw/zinc/04/23/74/1023042374.db2.gz KJMYQXQAUYRNRL-OAHLLOKOSA-N -1 0 328.393 3.627 20 0 EHADRM O=C([O-])[C@@H](NCc1ccc(F)cc1Br)c1ccsc1 ZINC000426791737 1023050319 /nfs/dbraw/zinc/05/03/19/1023050319.db2.gz JKWCJULFTBWRAZ-LBPRGKRZSA-N -1 0 344.205 3.565 20 0 EHADRM CO[C@H](C)c1nc(=Nc2ccc(COc3ccccc3)cc2)s[n-]1 ZINC000509571297 1023060164 /nfs/dbraw/zinc/06/01/64/1023060164.db2.gz MCILDLAFTYHZOZ-CYBMUJFWSA-N -1 0 341.436 3.990 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cncc(Cl)c2)ccc1OC(C)C ZINC000506994299 1023069686 /nfs/dbraw/zinc/06/96/86/1023069686.db2.gz HLUSSRYARGHHAB-UHFFFAOYSA-N -1 0 340.832 3.631 20 0 EHADRM CCCSC[C@@H](NCc1csc(-c2ccsc2)n1)C(=O)[O-] ZINC000426828446 1023072468 /nfs/dbraw/zinc/07/24/68/1023072468.db2.gz VUUZBBLHMJIZHP-GFCCVEGCSA-N -1 0 342.511 3.558 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)c1C ZINC000430982372 1023085240 /nfs/dbraw/zinc/08/52/40/1023085240.db2.gz QFXFBJAJGUZBAJ-UHFFFAOYSA-N -1 0 333.306 3.661 20 0 EHADRM CCCOc1ccc([N-]S(=O)(=O)c2cncc(Cl)c2)c(C)c1 ZINC000507023806 1023091052 /nfs/dbraw/zinc/09/10/52/1023091052.db2.gz ZTSQWOKRIYDTPO-UHFFFAOYSA-N -1 0 340.832 3.633 20 0 EHADRM FC(F)(F)c1ccccc1[C@@H]1C[C@@H]1N=c1nc(C2CC2)[n-]s1 ZINC000426904694 1023106440 /nfs/dbraw/zinc/10/64/40/1023106440.db2.gz JFSGNWRHSVMTAN-JQWIXIFHSA-N -1 0 325.359 3.824 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)Nc2ccc(C(C)=O)cc2)n1 ZINC000438904922 1023137342 /nfs/dbraw/zinc/13/73/42/1023137342.db2.gz WEKGOGJZLIURRV-UHFFFAOYSA-N -1 0 349.390 3.595 20 0 EHADRM CCCCS(=O)(=O)[N-]C(=O)[C@H](C)Oc1cc(C)ccc1C(C)C ZINC000048554555 1023169593 /nfs/dbraw/zinc/16/95/93/1023169593.db2.gz KLTCMOLEXHFEQP-AWEZNQCLSA-N -1 0 341.473 3.972 20 0 EHADRM CC[C@@H]1CCCCN1C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000665070168 1023181593 /nfs/dbraw/zinc/18/15/93/1023181593.db2.gz IYWDACMKXQDXSK-CYBMUJFWSA-N -1 0 333.819 3.636 20 0 EHADRM Cc1ccn(C)c1C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000190328728 1023191806 /nfs/dbraw/zinc/19/18/06/1023191806.db2.gz HZKASJBEPXTVKA-UHFFFAOYSA-N -1 0 343.608 3.707 20 0 EHADRM C/C(=C/c1ccccc1)CN(C)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000427580738 1023200192 /nfs/dbraw/zinc/20/01/92/1023200192.db2.gz QPAGDPDBZLFNGY-FLIBITNWSA-N -1 0 335.325 3.985 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)c(C)n1 ZINC000439009857 1023205679 /nfs/dbraw/zinc/20/56/79/1023205679.db2.gz MIWLZNTYPKHJES-UHFFFAOYSA-N -1 0 340.470 3.558 20 0 EHADRM COc1ccc([C@H](N=c2[n-]nc(C3CC3)o2)c2ccc(F)cc2)cc1 ZINC000341759038 1023272312 /nfs/dbraw/zinc/27/23/12/1023272312.db2.gz SZKGSKSIRZRXJV-QGZVFWFLSA-N -1 0 339.370 3.718 20 0 EHADRM CCN(C(=O)c1ccc(Br)cc1[O-])c1nc(C)cs1 ZINC000091683414 1023295748 /nfs/dbraw/zinc/29/57/48/1023295748.db2.gz LAQOAFFKAOBIAT-UHFFFAOYSA-N -1 0 341.230 3.586 20 0 EHADRM CCC[C@H](C)N(C)C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000607435162 1033138848 /nfs/dbraw/zinc/13/88/48/1033138848.db2.gz FIAXPWAUJMYANZ-AWEZNQCLSA-N -1 0 329.444 3.962 20 0 EHADRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC1CCCCCC1 ZINC000328041037 1033146550 /nfs/dbraw/zinc/14/65/50/1033146550.db2.gz IFCXVJLOTSPXRK-SFHVURJKSA-N -1 0 342.439 3.640 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)c1 ZINC000528972712 1033158766 /nfs/dbraw/zinc/15/87/66/1033158766.db2.gz FJKKOFCOJSEMMP-JKSUJKDBSA-N -1 0 327.355 3.866 20 0 EHADRM O=C(Nc1nc(-c2ccccc2F)co1)c1c([O-])cc(F)cc1F ZINC000684614643 1023833798 /nfs/dbraw/zinc/83/37/98/1023833798.db2.gz ZGLNTRBCBPKEGW-UHFFFAOYSA-N -1 0 334.253 3.717 20 0 EHADRM Cc1c(C(=O)Nc2ccc(CC(=O)[O-])cc2)cnn1C1CCCCC1 ZINC000909505613 1023968078 /nfs/dbraw/zinc/96/80/78/1023968078.db2.gz RQVVXLVWZCVOPW-UHFFFAOYSA-N -1 0 341.411 3.576 20 0 EHADRM CN(CCC1CCCCC1)C(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000513985858 1024028992 /nfs/dbraw/zinc/02/89/92/1024028992.db2.gz TZJGQMJBDREOES-UHFFFAOYSA-N -1 0 334.445 3.654 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(Br)cc2[O-])c2ccccc21 ZINC000398588212 1024040089 /nfs/dbraw/zinc/04/00/89/1024040089.db2.gz VVVZTWGPFLKGDD-JTQLQIEISA-N -1 0 332.197 3.919 20 0 EHADRM O=C([O-])Cc1c(Cl)cccc1-c1cccc(CO[C@@H]2CCOC2)c1 ZINC000657203780 1024082924 /nfs/dbraw/zinc/08/29/24/1024082924.db2.gz YSNXBZXBHUBZLG-OAHLLOKOSA-N -1 0 346.810 3.940 20 0 EHADRM CCCOCCOc1cccc(-c2ccccc2[C@H](OC)C(=O)[O-])c1 ZINC000657203632 1024083045 /nfs/dbraw/zinc/08/30/45/1024083045.db2.gz HOVLUJYNXROGPP-IBGZPJMESA-N -1 0 344.407 3.931 20 0 EHADRM Cc1c(C(=O)[O-])cncc1-c1cc(F)ccc1OCC1CCOCC1 ZINC000657204870 1024086172 /nfs/dbraw/zinc/08/61/72/1024086172.db2.gz VVDMFHXDHKEINE-UHFFFAOYSA-N -1 0 345.370 3.700 20 0 EHADRM CCOC(=O)CC[C@H](C)Sc1n[n-]c(=Nc2ccccc2)s1 ZINC000505426265 1024096173 /nfs/dbraw/zinc/09/61/73/1024096173.db2.gz HFTKBVMFLSXELS-NSHDSACASA-N -1 0 337.470 3.528 20 0 EHADRM O=C([O-])CCc1ccc(-c2ccc(O[C@@H]3CCOC3)cc2)cc1F ZINC000657204495 1024103192 /nfs/dbraw/zinc/10/31/92/1024103192.db2.gz ZDPARFWYHYCACE-QGZVFWFLSA-N -1 0 330.355 3.678 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2ncn(C3CCCCC3)n2)cc1 ZINC000182565483 1024110541 /nfs/dbraw/zinc/11/05/41/1024110541.db2.gz ZGMZIUFKKSRAGJ-UHFFFAOYSA-N -1 0 348.472 3.537 20 0 EHADRM CC(C)(C)n1cc(-c2ccc(OC(F)F)cc2F)c(C(=O)[O-])n1 ZINC000657205531 1024111046 /nfs/dbraw/zinc/11/10/46/1024111046.db2.gz YQGGIJACRKLOBR-UHFFFAOYSA-N -1 0 328.290 3.744 20 0 EHADRM C[C@H](CC(=O)[O-])n1cc(-c2cc(F)ccc2OCC(F)(F)F)cn1 ZINC000657205545 1024112199 /nfs/dbraw/zinc/11/21/99/1024112199.db2.gz DMMKFPJKYWPJHD-SECBINFHSA-N -1 0 346.280 3.666 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)NCCc2ccc(C)cc2)s1 ZINC000522626668 1024114138 /nfs/dbraw/zinc/11/41/38/1024114138.db2.gz PWAWWXRCMXVBIZ-UHFFFAOYSA-N -1 0 332.473 3.536 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)NC2(c3ccccc3)CCCC2)s[n-]1 ZINC000522623160 1024124593 /nfs/dbraw/zinc/12/45/93/1024124593.db2.gz WOASDLAWBITFTM-UHFFFAOYSA-N -1 0 344.484 3.849 20 0 EHADRM O=C(NCCC[C@H]1CCCC[C@@H]1O)c1c([O-])cc(Cl)cc1Cl ZINC000134503431 1024125496 /nfs/dbraw/zinc/12/54/96/1024125496.db2.gz BAETXXSVYQVWSL-MFKMUULPSA-N -1 0 346.254 3.760 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C)c(C)o1 ZINC000182773334 1024128270 /nfs/dbraw/zinc/12/82/70/1024128270.db2.gz NIIZHJYMAZHJBI-UHFFFAOYSA-N -1 0 334.441 3.606 20 0 EHADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)s1 ZINC000191543214 1024131831 /nfs/dbraw/zinc/13/18/31/1024131831.db2.gz SJYWVRAEIONZBM-GFCCVEGCSA-N -1 0 337.828 3.607 20 0 EHADRM COc1cccc(OC)c1CNc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000417605707 1024150358 /nfs/dbraw/zinc/15/03/58/1024150358.db2.gz BYJGPJMGIYYPRJ-ZDUSSCGKSA-N -1 0 329.396 3.579 20 0 EHADRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2cnc(C)s2)c1 ZINC000340743827 1024201587 /nfs/dbraw/zinc/20/15/87/1024201587.db2.gz UMEMCSAXSPJDKG-UHFFFAOYSA-N -1 0 330.862 3.858 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1ccn(C2CCCCC2)n1 ZINC000909512215 1024202615 /nfs/dbraw/zinc/20/26/15/1024202615.db2.gz CZZVCSXQOLAWCA-UHFFFAOYSA-N -1 0 341.411 3.956 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NCc2ccc(Br)cn2)cc1 ZINC000417632793 1024205264 /nfs/dbraw/zinc/20/52/64/1024205264.db2.gz XELRUWWXWDTBCI-UHFFFAOYSA-N -1 0 349.228 3.818 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1)C(=O)[O-] ZINC000191391868 1024292411 /nfs/dbraw/zinc/29/24/11/1024292411.db2.gz JASJNJWUNGFXKI-ZDUSSCGKSA-N -1 0 336.391 3.612 20 0 EHADRM Cc1cccc(C)c1CC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000192860072 1024298139 /nfs/dbraw/zinc/29/81/39/1024298139.db2.gz WIUHEVFOQJKPBL-UHFFFAOYSA-N -1 0 341.407 3.970 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000472016783 1024312042 /nfs/dbraw/zinc/31/20/42/1024312042.db2.gz GWFFKPRBCXTOJN-HNNXBMFYSA-N -1 0 339.439 3.632 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N1CCCC2(CCCCC2)C1 ZINC000262120092 1024354515 /nfs/dbraw/zinc/35/45/15/1024354515.db2.gz GHXVYLTVUFPORR-UHFFFAOYSA-N -1 0 329.440 3.890 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)c1cccn1C1CCCC1)c1ccccc1 ZINC000190761120 1024475215 /nfs/dbraw/zinc/47/52/15/1024475215.db2.gz WWEDYUYVRBEHOO-KRWDZBQOSA-N -1 0 340.423 3.939 20 0 EHADRM Cc1ccc2[nH]c([N-]S(=O)(=O)c3cccc4ccccc43)nc2c1 ZINC000427638410 1024601600 /nfs/dbraw/zinc/60/16/00/1024601600.db2.gz UPXJVKPTZHQIMW-UHFFFAOYSA-N -1 0 337.404 3.825 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)C2C[C@H]3CC[C@@H](C2)S3)cc1)C(=O)[O-] ZINC000909523343 1024621590 /nfs/dbraw/zinc/62/15/90/1024621590.db2.gz NBMOSSFSGWBWCH-DITUJHHDSA-N -1 0 333.453 3.563 20 0 EHADRM O=C(N=c1nc(-c2ccccc2Cl)[n-]s1)[C@H]1CC12CCCC2 ZINC000474278855 1024687743 /nfs/dbraw/zinc/68/77/43/1024687743.db2.gz XIRZAFKQBRGNGK-LLVKDONJSA-N -1 0 333.844 3.799 20 0 EHADRM Cc1ccc2[nH]c([N-]S(=O)(=O)c3cccc(C)c3Cl)nc2c1 ZINC000427660699 1024720729 /nfs/dbraw/zinc/72/07/29/1024720729.db2.gz VPOWCYBJHDKKNO-UHFFFAOYSA-N -1 0 335.816 3.634 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)N2CC3(CCC3)C[C@@H]2C)s[n-]1 ZINC000514772290 1024731248 /nfs/dbraw/zinc/73/12/48/1024731248.db2.gz XQRGSYUBYVHHML-NSHDSACASA-N -1 0 348.497 3.793 20 0 EHADRM CCOCc1ccc(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])cc1 ZINC000514837002 1024777801 /nfs/dbraw/zinc/77/78/01/1024777801.db2.gz WXSBYOLQKHDQQG-KRWDZBQOSA-N -1 0 348.443 3.768 20 0 EHADRM C[C@H](NC(=O)c1ccc2ccccc2c1O)c1nc2ccccc2[nH]1 ZINC000327407000 1024827631 /nfs/dbraw/zinc/82/76/31/1024827631.db2.gz CZUUQROCUCSTRE-LBPRGKRZSA-N -1 0 331.375 3.913 20 0 EHADRM CCCc1cc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)n[nH]1 ZINC000474433559 1024964977 /nfs/dbraw/zinc/96/49/77/1024964977.db2.gz ODXIOIUCPAGIOQ-UHFFFAOYSA-N -1 0 341.436 3.830 20 0 EHADRM CN(CCC(=O)[O-])C(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1 ZINC000428068108 1024968400 /nfs/dbraw/zinc/96/84/00/1024968400.db2.gz AQWHNTOMJDJWDW-KRWDZBQOSA-N -1 0 347.411 3.592 20 0 EHADRM Cc1ccc([C@H](C)[C@H](O)C(=O)Nc2cc(F)cc(Cl)c2[O-])cc1 ZINC000474436973 1024972847 /nfs/dbraw/zinc/97/28/47/1024972847.db2.gz OVTUXOBNJPWTBW-BONVTDFDSA-N -1 0 337.778 3.596 20 0 EHADRM C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474445127 1024979496 /nfs/dbraw/zinc/97/94/96/1024979496.db2.gz KKKDQCPURAFRSK-QMMMGPOBSA-N -1 0 327.714 3.730 20 0 EHADRM CCc1nnc([C@H](C)Sc2n[n-]c(=Nc3cccc(C)c3)s2)o1 ZINC000346661760 1024997604 /nfs/dbraw/zinc/99/76/04/1024997604.db2.gz DGIYIOPQJIOQBY-JTQLQIEISA-N -1 0 347.469 3.811 20 0 EHADRM Cc1nn(C(C)C)cc1/C=C(/CC(=O)[O-])c1nc2ccccc2o1 ZINC000346680510 1025016038 /nfs/dbraw/zinc/01/60/38/1025016038.db2.gz XOWFBPAYYXYEHG-JYRVWZFOSA-N -1 0 325.368 3.929 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)N[C@@H](C)c1oc2ccccc2c1C)C1CC1 ZINC000684722749 1025017523 /nfs/dbraw/zinc/01/75/23/1025017523.db2.gz JHGULWASXPMFGZ-SWLSCSKDSA-N -1 0 344.411 3.839 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)N1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC000684724661 1025042994 /nfs/dbraw/zinc/04/29/94/1025042994.db2.gz CLLMXGQNKQPDDG-BFYDXBDKSA-N -1 0 346.471 3.638 20 0 EHADRM CCOc1cccc([C@H](C)NC(=O)N(CC(=O)[O-])C2CCCCC2)c1 ZINC000684728094 1025071593 /nfs/dbraw/zinc/07/15/93/1025071593.db2.gz ZMERWUPKMFQHPB-AWEZNQCLSA-N -1 0 348.443 3.575 20 0 EHADRM CCOC1(C)CCN(c2nc3ccccc3c(C)c2C(=O)[O-])CC1 ZINC000582065560 1025139835 /nfs/dbraw/zinc/13/98/35/1025139835.db2.gz VCGFJTIWEKNGON-UHFFFAOYSA-N -1 0 328.412 3.637 20 0 EHADRM Cc1cc(Nc2ccn3c(Br)cnc3c2)cc(C(=O)[O-])c1 ZINC001211539356 1025201573 /nfs/dbraw/zinc/20/15/73/1025201573.db2.gz SIFXYPFAXDFLKR-UHFFFAOYSA-N -1 0 346.184 3.847 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1cc(CC(C)(C)C)[nH]n1 ZINC000444055083 1025210966 /nfs/dbraw/zinc/21/09/66/1025210966.db2.gz NGFRTNROPPBFQZ-UHFFFAOYSA-N -1 0 339.486 3.521 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)N([C@@H](C)C(=O)[O-])C2CC2)c1 ZINC000684747829 1025242833 /nfs/dbraw/zinc/24/28/33/1025242833.db2.gz WMIURJVEUAHWHQ-ZDUSSCGKSA-N -1 0 334.416 3.581 20 0 EHADRM O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1c([O-])cc(F)cc1F ZINC000072046004 1025249525 /nfs/dbraw/zinc/24/95/25/1025249525.db2.gz PZKHFHQUYDPMHR-UHFFFAOYSA-N -1 0 347.317 3.964 20 0 EHADRM FC(F)(F)c1n[n-]c(=NCc2ccc(Oc3ccccc3)o2)o1 ZINC000428325655 1025286154 /nfs/dbraw/zinc/28/61/54/1025286154.db2.gz MARFWOYHZGPADS-UHFFFAOYSA-N -1 0 325.246 3.508 20 0 EHADRM Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)c1 ZINC000436028454 1025310535 /nfs/dbraw/zinc/31/05/35/1025310535.db2.gz VGIWSNWADIBUPH-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM C[C@@H](NS(=O)(=O)c1cccc(Cl)c1F)c1c(F)cccc1F ZINC000515521201 1025313330 /nfs/dbraw/zinc/31/33/30/1025313330.db2.gz RRERPYRPBZYTDJ-MRVPVSSYSA-N -1 0 349.761 3.797 20 0 EHADRM CSc1cc(C)ccc1NC(=O)CSc1n[n-]c(=S)s1 ZINC000840500544 1025325290 /nfs/dbraw/zinc/32/52/90/1025325290.db2.gz FDRAVOCBZDZYST-UHFFFAOYSA-N -1 0 343.524 3.588 20 0 EHADRM CN(Cc1ccccc1)C(=O)N1CCC[C@H]1c1ccc(C(=O)[O-])s1 ZINC000548685015 1025368296 /nfs/dbraw/zinc/36/82/96/1025368296.db2.gz ZJZNSFWISKZZEV-AWEZNQCLSA-N -1 0 344.436 3.835 20 0 EHADRM Cc1ccc(-c2nc(C(=O)Nc3ccc(C(=O)[O-])cc3)cs2)o1 ZINC000346975232 1025371731 /nfs/dbraw/zinc/37/17/31/1025371731.db2.gz AFPXCZNLFVZOHO-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000013439639 1025378391 /nfs/dbraw/zinc/37/83/91/1025378391.db2.gz XCOCLPWLJIIPGZ-UHFFFAOYSA-N -1 0 338.190 3.802 20 0 EHADRM CC(C)(C)c1cc(CN2[C@@H](C(=O)[O-])CC[C@H]2c2ccccc2)no1 ZINC000582133538 1025381318 /nfs/dbraw/zinc/38/13/18/1025381318.db2.gz ABSGAISOJPKMIW-JKSUJKDBSA-N -1 0 328.412 3.762 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)Nc1ccc(C2CCC2)cc1 ZINC000515604946 1025400415 /nfs/dbraw/zinc/40/04/15/1025400415.db2.gz LIOHQAOZMZWKMD-UAGQMJEPSA-N -1 0 328.412 3.671 20 0 EHADRM C[C@@H](C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1cccc(Cl)c1 ZINC000521478449 1025413807 /nfs/dbraw/zinc/41/38/07/1025413807.db2.gz IHCJYCWAFNVSCF-SNVBAGLBSA-N -1 0 342.786 3.573 20 0 EHADRM O=C([O-])C1CCC(C(=O)NCc2ccc(OC3CCCC3)cc2)CC1 ZINC000684771577 1025414510 /nfs/dbraw/zinc/41/45/10/1025414510.db2.gz JCGGXBFORQVWFF-UHFFFAOYSA-N -1 0 345.439 3.515 20 0 EHADRM Cc1n[nH]cc1-c1n[n-]c(=NCc2c(Cl)cccc2Cl)s1 ZINC000436153991 1025421350 /nfs/dbraw/zinc/42/13/50/1025421350.db2.gz PTBSWBXMLKBHEY-UHFFFAOYSA-N -1 0 340.239 3.577 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccccc2SC)cc1C ZINC000436162549 1025426212 /nfs/dbraw/zinc/42/62/12/1025426212.db2.gz RXTNWOQZROUEDT-LLVKDONJSA-N -1 0 339.486 3.685 20 0 EHADRM Fc1ccc(Cc2noc(=NCc3ccc(F)c(Cl)c3)[n-]2)cc1 ZINC000521508898 1025432711 /nfs/dbraw/zinc/43/27/11/1025432711.db2.gz DHAICGKLVUULLB-UHFFFAOYSA-N -1 0 335.741 3.626 20 0 EHADRM Cc1onc([N-]S(=O)(=O)c2cc(C(C)C)ccc2Cl)c1C ZINC000451044519 1025464188 /nfs/dbraw/zinc/46/41/88/1025464188.db2.gz BQYVKKRAXUWYKG-UHFFFAOYSA-N -1 0 328.821 3.869 20 0 EHADRM COc1cc(C)c([N-]S(=O)(=O)c2cc(C)cs2)c(C)c1C ZINC000451046555 1025466631 /nfs/dbraw/zinc/46/66/31/1025466631.db2.gz GVMLOLKPMWHZSV-UHFFFAOYSA-N -1 0 325.455 3.791 20 0 EHADRM CC(=O)Nc1cccc(C(=O)Nc2cc(F)cc(Cl)c2[O-])c1C ZINC000442807657 1025484454 /nfs/dbraw/zinc/48/44/54/1025484454.db2.gz FOENFUKNEITKKU-UHFFFAOYSA-N -1 0 336.750 3.704 20 0 EHADRM CCOc1ncc(C)cc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000451069850 1025492617 /nfs/dbraw/zinc/49/26/17/1025492617.db2.gz GRKZAXSCWWDNDJ-UHFFFAOYSA-N -1 0 342.367 3.527 20 0 EHADRM CC(C)c1ccc(-c2nc(C(=O)NC[C@H](C)CC(=O)[O-])cs2)cc1 ZINC000537484041 1033286290 /nfs/dbraw/zinc/28/62/90/1033286290.db2.gz IUFWTEIVWSORMV-GFCCVEGCSA-N -1 0 346.452 3.774 20 0 EHADRM CC(C)c1ccc(-c2nc(C(=O)NC[C@@H](C)CC(=O)[O-])cs2)cc1 ZINC000537484042 1033287483 /nfs/dbraw/zinc/28/74/83/1033287483.db2.gz IUFWTEIVWSORMV-LBPRGKRZSA-N -1 0 346.452 3.774 20 0 EHADRM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000324627449 1025536045 /nfs/dbraw/zinc/53/60/45/1025536045.db2.gz PSKPQZIIGQLOEP-SJORKVTESA-N -1 0 329.440 3.610 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2scnc2C(C)C)c(F)cc1F ZINC000451106274 1025541004 /nfs/dbraw/zinc/54/10/04/1025541004.db2.gz XXQVMHQOPNSXFK-UHFFFAOYSA-N -1 0 332.397 3.654 20 0 EHADRM CCC1(S(=O)(=O)[N-]C(=O)c2cc3c(ccc4ccccc34)o2)CC1 ZINC000529028936 1033291124 /nfs/dbraw/zinc/29/11/24/1033291124.db2.gz FSVCTDDLDOJFCP-UHFFFAOYSA-N -1 0 343.404 3.588 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)Cc2csc3ccccc23)cc1 ZINC000347138504 1025560593 /nfs/dbraw/zinc/56/05/93/1025560593.db2.gz RDQCBSSWHBQGIX-UHFFFAOYSA-N -1 0 325.389 3.710 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2scnc2C(C)C)c1 ZINC000451104503 1025566519 /nfs/dbraw/zinc/56/65/19/1025566519.db2.gz RPGIRBWIJVLEMH-UHFFFAOYSA-N -1 0 346.861 3.729 20 0 EHADRM CC(C)[C@@H](NC(=O)C[C@H](C)CC(=O)[O-])c1ccc(Cl)cc1F ZINC000574584867 1033292732 /nfs/dbraw/zinc/29/27/32/1033292732.db2.gz NZHVLWWIFXWWLK-MGPLVRAMSA-N -1 0 329.799 3.793 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000321353819 1025647197 /nfs/dbraw/zinc/64/71/97/1025647197.db2.gz YNCZSSZOBDHLRD-XJKCOSOUSA-N -1 0 333.815 3.671 20 0 EHADRM CC1(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3Cl)c2O1 ZINC000530382386 1025719063 /nfs/dbraw/zinc/71/90/63/1025719063.db2.gz YFYBRTDEIGUKON-UHFFFAOYSA-N -1 0 337.828 3.854 20 0 EHADRM CC[C@@](C)([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C(F)(F)F ZINC000530387614 1025735309 /nfs/dbraw/zinc/73/53/09/1025735309.db2.gz LTZNMQPKXWVUGP-SECBINFHSA-N -1 0 335.800 3.719 20 0 EHADRM CCCC[C@@H](NC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1)C(=O)[O-] ZINC000347258906 1025750801 /nfs/dbraw/zinc/75/08/01/1025750801.db2.gz JMOQBFSZAOIAFW-SCLBCKFNSA-N -1 0 343.423 3.712 20 0 EHADRM CCCC[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000347255828 1025763526 /nfs/dbraw/zinc/76/35/26/1025763526.db2.gz DTGHATNXEISIAL-MJVIPROJSA-N -1 0 344.238 3.857 20 0 EHADRM C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2cccc(Br)c2[O-])C1 ZINC000530404326 1025770630 /nfs/dbraw/zinc/77/06/30/1025770630.db2.gz AWSWGNOFRZLLEB-GMTAPVOTSA-N -1 0 326.234 3.661 20 0 EHADRM CCCC[C@@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000347264264 1025780287 /nfs/dbraw/zinc/78/02/87/1025780287.db2.gz SHLCYPBVTQFJOB-GXSJLCMTSA-N -1 0 348.226 3.520 20 0 EHADRM C[C@@H]1C[C@]1(NC(=O)c1cc(F)c([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000436521010 1025823220 /nfs/dbraw/zinc/82/32/20/1025823220.db2.gz YREVYYXWBVQVSH-VVVCHXIZSA-N -1 0 337.753 3.989 20 0 EHADRM O=C(Nc1ccnc(-c2ccccc2)c1)c1cc(F)c([O-])c(F)c1 ZINC000436524014 1025828823 /nfs/dbraw/zinc/82/88/23/1025828823.db2.gz XYFRROCEDMRECX-UHFFFAOYSA-N -1 0 326.302 3.985 20 0 EHADRM CC(C)[C@H]1C[C@@H](NC(=O)c2ccc(Cl)c(Cl)c2[O-])CCO1 ZINC000334088082 1025838488 /nfs/dbraw/zinc/83/84/88/1025838488.db2.gz ZTDXOEGHAUWGSF-JOYOIKCWSA-N -1 0 332.227 3.632 20 0 EHADRM O=C(Nc1ccc(NC[C@H]2CCCO2)c(F)c1)c1ccc(F)cc1[O-] ZINC000436533288 1025840044 /nfs/dbraw/zinc/84/00/44/1025840044.db2.gz YDOKEUCQLYRZDI-CYBMUJFWSA-N -1 0 348.349 3.514 20 0 EHADRM CNC(=O)c1cc(NC(=O)c2ccc(C(C)C)cc2O)ccc1Cl ZINC000436535229 1025844192 /nfs/dbraw/zinc/84/41/92/1025844192.db2.gz QYZMKOJVMIMJGD-UHFFFAOYSA-N -1 0 346.814 3.781 20 0 EHADRM CSc1ccc(NC(=O)c2ccc(Br)cc2[O-])nc1 ZINC000436545357 1025878917 /nfs/dbraw/zinc/87/89/17/1025878917.db2.gz MDIYVXQXZDNAID-UHFFFAOYSA-N -1 0 339.214 3.524 20 0 EHADRM Cn1cnc2cc(NC(=O)c3c([O-])cc(Cl)cc3Cl)ccc21 ZINC000436576705 1025881580 /nfs/dbraw/zinc/88/15/80/1025881580.db2.gz RFZVWVBLNOZZST-UHFFFAOYSA-N -1 0 336.178 3.838 20 0 EHADRM Cc1ccc(-c2nc(CN3CCC[C@H](C)[C@H]3C(=O)[O-])cs2)cc1 ZINC000324463545 1025904460 /nfs/dbraw/zinc/90/44/60/1025904460.db2.gz BYQPBOCDBCKUMX-BBRMVZONSA-N -1 0 330.453 3.804 20 0 EHADRM Cc1ccc(-c2nc(CN3CCC[C@@H](C)[C@H]3C(=O)[O-])cs2)cc1 ZINC000324463548 1025905501 /nfs/dbraw/zinc/90/55/01/1025905501.db2.gz BYQPBOCDBCKUMX-CJNGLKHVSA-N -1 0 330.453 3.804 20 0 EHADRM COc1ccc(-c2csc(NC(=O)c3ccc(O)cc3F)n2)cc1 ZINC000436595753 1025912755 /nfs/dbraw/zinc/91/27/55/1025912755.db2.gz NTZMPAAAUIHHTD-UHFFFAOYSA-N -1 0 344.367 3.916 20 0 EHADRM O=C(N[C@H]1CCCC[C@@H]1n1cccn1)c1ccc2ccccc2c1O ZINC000436589964 1025926538 /nfs/dbraw/zinc/92/65/38/1025926538.db2.gz XGFSAKHMFHPYIQ-ROUUACIJSA-N -1 0 335.407 3.656 20 0 EHADRM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000522059420 1025929524 /nfs/dbraw/zinc/92/95/24/1025929524.db2.gz ANIHUXSNQVNXHO-WFASDCNBSA-N -1 0 347.846 3.882 20 0 EHADRM COC(=O)c1nc2ccccc2cc1Nc1cc(C)cc(C(=O)[O-])c1 ZINC001211542189 1025929452 /nfs/dbraw/zinc/92/94/52/1025929452.db2.gz CWVXYUWHYWNERF-UHFFFAOYSA-N -1 0 336.347 3.772 20 0 EHADRM O=C(c1c([O-])cc(Cl)cc1Cl)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000436609774 1025940183 /nfs/dbraw/zinc/94/01/83/1025940183.db2.gz SHVKKFPHIHVSTC-WDEREUQCSA-N -1 0 344.238 3.588 20 0 EHADRM Cc1cc(F)ccc1CN(C)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436615040 1025946537 /nfs/dbraw/zinc/94/65/37/1025946537.db2.gz CPFGWQSIAFOLEN-UHFFFAOYSA-N -1 0 325.742 3.904 20 0 EHADRM C[C@@]12CN(C(=O)c3cccc(C(F)(F)F)c3[O-])C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000516089018 1025970355 /nfs/dbraw/zinc/97/03/55/1025970355.db2.gz RWOIIPIDNXPIPT-IWBURCCVSA-N -1 0 337.341 3.695 20 0 EHADRM Cc1ccc(OCCCCNC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000436650436 1025977896 /nfs/dbraw/zinc/97/78/96/1025977896.db2.gz VWHGLDSAIZCIEV-UHFFFAOYSA-N -1 0 333.815 3.943 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CCc2cncc3ccccc32)c1 ZINC000436652128 1025980581 /nfs/dbraw/zinc/98/05/81/1025980581.db2.gz KDWYKIIERLJDIN-UHFFFAOYSA-N -1 0 334.375 3.714 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)c1 ZINC000436652636 1025981488 /nfs/dbraw/zinc/98/14/88/1025981488.db2.gz PCYHTGUHOOPSEW-HUUCEWRRSA-N -1 0 327.355 3.866 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C(=O)c2ccc(Cl)s2)c1 ZINC000436643825 1025990429 /nfs/dbraw/zinc/99/04/29/1025990429.db2.gz GPGGIMUFWJPSAX-UHFFFAOYSA-N -1 0 337.784 3.521 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)CCc2cc(Cl)cs2)s[n-]1 ZINC000522954911 1025992817 /nfs/dbraw/zinc/99/28/17/1025992817.db2.gz UZDURMFBCDFGNI-UHFFFAOYSA-N -1 0 329.878 3.544 20 0 EHADRM CCCCOc1ccc([C@H](C)N=c2[n-]c(C(C)C)no2)cc1OC ZINC000522966712 1026009219 /nfs/dbraw/zinc/00/92/19/1026009219.db2.gz SQWNPTHIHOWELK-ZDUSSCGKSA-N -1 0 333.432 3.976 20 0 EHADRM O=C([O-])[C@H](CNC(=O)N1CC2(CCCC2)c2ccccc21)C1CCC1 ZINC000665324196 1026011637 /nfs/dbraw/zinc/01/16/37/1026011637.db2.gz NLIKQXFBDRESIR-OAHLLOKOSA-N -1 0 342.439 3.529 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H]2CCCN2c2ccccc2)c1 ZINC000436658586 1026020192 /nfs/dbraw/zinc/02/01/92/1026020192.db2.gz OPSZTPAFODNRSF-QGZVFWFLSA-N -1 0 338.407 3.592 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccn(C(CC)CC)n2)c1 ZINC000436660522 1026021479 /nfs/dbraw/zinc/02/14/79/1026021479.db2.gz VTCWQQLFRSLYRW-UHFFFAOYSA-N -1 0 329.400 3.795 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cccc([C@@H]3CCCOC3)c2)c1 ZINC000436678721 1026028213 /nfs/dbraw/zinc/02/82/13/1026028213.db2.gz HNYKXVOQZQZFRG-QGZVFWFLSA-N -1 0 339.391 3.741 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cccc(OC(F)(F)F)c2)c1 ZINC000436681199 1026034277 /nfs/dbraw/zinc/03/42/77/1026034277.db2.gz QVUSWEGCOZZMGF-UHFFFAOYSA-N -1 0 339.269 3.746 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CCc2c[nH]c3cc(C)ccc23)c1 ZINC000436682334 1026036612 /nfs/dbraw/zinc/03/66/12/1026036612.db2.gz UVOGRKDNQUPPRW-UHFFFAOYSA-N -1 0 336.391 3.956 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(F)cc1C(F)(F)F ZINC000103057705 1026042373 /nfs/dbraw/zinc/04/23/73/1026042373.db2.gz GHKKIPHZOVVNHH-UHFFFAOYSA-N -1 0 337.269 3.784 20 0 EHADRM O=c1[n-]c([C@H]2CCCCN2Cc2c(Cl)cccc2Cl)n[nH]1 ZINC000329597260 1026046741 /nfs/dbraw/zinc/04/67/41/1026046741.db2.gz PJDHNCVFIFBEPU-GFCCVEGCSA-N -1 0 327.215 3.544 20 0 EHADRM COc1ccc(C(=O)N[C@H](C)c2ccccc2C(F)(F)F)c(O)c1 ZINC000436690835 1026047024 /nfs/dbraw/zinc/04/70/24/1026047024.db2.gz IMXWZRWLBMBRLO-SNVBAGLBSA-N -1 0 339.313 3.911 20 0 EHADRM COc1cccc2[nH]cc(Cc3noc(-c4ccc(O)cc4F)n3)c21 ZINC000436690867 1026048605 /nfs/dbraw/zinc/04/86/05/1026048605.db2.gz RFVJTIKIYXLEJJ-UHFFFAOYSA-N -1 0 339.326 3.662 20 0 EHADRM [O-]c1c(Br)cccc1-c1nc([C@H]2CC2(Cl)Cl)no1 ZINC000896806823 1026054548 /nfs/dbraw/zinc/05/45/48/1026054548.db2.gz PAPGQXWNEZPYIW-ZCFIWIBFSA-N -1 0 349.999 3.866 20 0 EHADRM CN(Cc1csc2ccccc12)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000665328775 1026059773 /nfs/dbraw/zinc/05/97/73/1026059773.db2.gz RRLDHHHENYJLQH-OAHLLOKOSA-N -1 0 346.452 3.544 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccccc1OC(F)F ZINC000195438157 1026068630 /nfs/dbraw/zinc/06/86/30/1026068630.db2.gz QATIXKMAIYQTTO-UHFFFAOYSA-N -1 0 333.743 3.742 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CC[C@@](F)(c2ccccc2F)C1 ZINC000436716394 1026088404 /nfs/dbraw/zinc/08/84/04/1026088404.db2.gz AKSYNOLBLASHDS-KRWDZBQOSA-N -1 0 337.753 3.896 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@H]2CCc3ccccc32)c(F)c1 ZINC000075040498 1026091677 /nfs/dbraw/zinc/09/16/77/1026091677.db2.gz WUDJHNGUNRQUFE-CQSZACIVSA-N -1 0 347.411 3.899 20 0 EHADRM CCOc1cccc([C@H]2C[C@@H]2NC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000436737897 1026105144 /nfs/dbraw/zinc/10/51/44/1026105144.db2.gz KINGUKSOSNDZQX-ZBFHGGJFSA-N -1 0 331.799 3.730 20 0 EHADRM C[C@H](C(=O)[O-])N(C)C(=O)CCCc1ccc2c(c1)-c1ccccc1C2 ZINC000342577724 1026339864 /nfs/dbraw/zinc/33/98/64/1026339864.db2.gz VBKCYJWVZLEFOZ-CQSZACIVSA-N -1 0 337.419 3.512 20 0 EHADRM Cc1nnc(=S)[n-]c1O[C@H](C)c1ccc(F)c(Br)c1 ZINC001227601654 1026344232 /nfs/dbraw/zinc/34/42/32/1026344232.db2.gz LGQRLJPWYWQNGQ-SSDOTTSWSA-N -1 0 344.209 3.510 20 0 EHADRM C[C@@H](CN(C)C(=O)c1cccc(C(F)(F)F)c1[O-])c1nccs1 ZINC000582496830 1026426279 /nfs/dbraw/zinc/42/62/79/1026426279.db2.gz NZEYFPAJVFDANH-VIFPVBQESA-N -1 0 344.358 3.743 20 0 EHADRM CN(C(=O)Nc1ccc(C(F)(F)F)cc1)C1(C(=O)[O-])CCCCC1 ZINC000392680524 1026427411 /nfs/dbraw/zinc/42/74/11/1026427411.db2.gz SALQJTAGPOXFEY-UHFFFAOYSA-N -1 0 344.333 3.957 20 0 EHADRM CCC[C@@H](CC1CCCCC1)C(=O)N=c1nc([C@@H](C)OC)[n-]s1 ZINC000511141242 1026448188 /nfs/dbraw/zinc/44/81/88/1026448188.db2.gz RRSHFEWWINYACT-OCCSQVGLSA-N -1 0 339.505 3.993 20 0 EHADRM CCC(C)(C)N(C)C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1Cl ZINC000684895968 1026452444 /nfs/dbraw/zinc/45/24/44/1026452444.db2.gz LGVZIZGAHIEOAL-CYBMUJFWSA-N -1 0 326.824 3.638 20 0 EHADRM Cc1ccc(C[S@](=O)[C@@H](CC(C)C)C(=O)[O-])cc1Br ZINC000582531290 1026507892 /nfs/dbraw/zinc/50/78/92/1026507892.db2.gz MKAZQRQBUCJNKH-DJJJIMSYSA-N -1 0 347.274 3.506 20 0 EHADRM CCOc1ccc(S(=O)(=O)C=C([O-])c2cc(C)c(C)cc2C)cc1 ZINC000487469760 1026539895 /nfs/dbraw/zinc/53/98/95/1026539895.db2.gz GLZKGIGPZQNBMA-UHFFFAOYSA-N -1 0 346.448 3.667 20 0 EHADRM C[C@H]1CC[C@H](C(=O)NCc2ccc(O)c(Br)c2)CC1 ZINC000582550780 1026551955 /nfs/dbraw/zinc/55/19/55/1026551955.db2.gz YGOMBQVKQXDITR-UMSPYCQHSA-N -1 0 326.234 3.597 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)[C@@H]1CCC[C@H]1C(=O)[O-] ZINC000634824673 1026573176 /nfs/dbraw/zinc/57/31/76/1026573176.db2.gz ZSYIQTDPJUJYJZ-HUUCEWRRSA-N -1 0 333.428 3.750 20 0 EHADRM O=C([O-])CN(Cc1nc2ccccc2n1C(F)F)c1ccccc1 ZINC000347320890 1026583627 /nfs/dbraw/zinc/58/36/27/1026583627.db2.gz JJEBQPNIZZQXII-UHFFFAOYSA-N -1 0 331.322 3.523 20 0 EHADRM CC[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC000835261721 1026586226 /nfs/dbraw/zinc/58/62/26/1026586226.db2.gz BSHSUTHMUHRCFS-LBPRGKRZSA-N -1 0 331.865 3.526 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1cc(Cl)sc1Cl)CC(=O)[O-] ZINC000232602438 1026618165 /nfs/dbraw/zinc/61/81/65/1026618165.db2.gz TUBMDJAXXIZMLE-QMMMGPOBSA-N -1 0 338.256 3.922 20 0 EHADRM CSc1cc(C)ccc1CNC(=O)c1c(C)ccc(C)c1C(=O)[O-] ZINC000634824765 1026625511 /nfs/dbraw/zinc/62/55/11/1026625511.db2.gz BUUBOJGEHBYISL-UHFFFAOYSA-N -1 0 343.448 3.962 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])C1 ZINC000909582284 1026701966 /nfs/dbraw/zinc/70/19/66/1026701966.db2.gz DUOZMWAINNBETG-WVZRYYJFSA-N -1 0 333.403 3.626 20 0 EHADRM COc1c(C)ccc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)c1C ZINC000027057306 1026795812 /nfs/dbraw/zinc/79/58/12/1026795812.db2.gz RWRNNYDUPAPGLL-FQEVSTJZSA-N -1 0 341.407 3.683 20 0 EHADRM CC[C@@H]1C[C@@H](C)CN1C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000531464252 1026943130 /nfs/dbraw/zinc/94/31/30/1026943130.db2.gz WBQCDSNNUQYWOB-GDBMZVCRSA-N -1 0 341.455 3.962 20 0 EHADRM COCCc1nc(=N[C@H]2CCCc3ccc(C(C)C)cc32)s[n-]1 ZINC000536502798 1027080040 /nfs/dbraw/zinc/08/00/40/1027080040.db2.gz QYBVCMZSDFMPJJ-INIZCTEOSA-N -1 0 331.485 3.762 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccccc2OCC(F)F)CCCCC1 ZINC000531627729 1027104342 /nfs/dbraw/zinc/10/43/42/1027104342.db2.gz XRCNYAWHWMFTLW-UHFFFAOYSA-N -1 0 341.354 3.694 20 0 EHADRM O=C([N-]c1nnc(-c2ccco2)s1)c1cc(-c2ccccc2)no1 ZINC000075517510 1027143564 /nfs/dbraw/zinc/14/35/64/1027143564.db2.gz SCSIVEBZXIBIHR-UHFFFAOYSA-N -1 0 338.348 3.705 20 0 EHADRM CSCc1cnc(/C=C\c2ncc(C(=O)[O-])c(C(C)C)n2)s1 ZINC000453022107 1027236600 /nfs/dbraw/zinc/23/66/00/1027236600.db2.gz HEOCFVFETGOVNK-PLNGDYQASA-N -1 0 335.454 3.788 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(OC3CCCCC3)cc2)C1 ZINC000414435305 1027262192 /nfs/dbraw/zinc/26/21/92/1027262192.db2.gz FFCXOGNBXWAVQJ-HXUWFJFHSA-N -1 0 345.439 3.725 20 0 EHADRM CC(C)N(Cc1cccs1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000273354775 1027390840 /nfs/dbraw/zinc/39/08/40/1027390840.db2.gz YTUGVHATBURDJX-UHFFFAOYSA-N -1 0 329.343 3.922 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CC[C@@H](C)[C@@H](C)C3)n2)cc1 ZINC000501614949 1027401726 /nfs/dbraw/zinc/40/17/26/1027401726.db2.gz KKXHURSOWNBSOT-CABCVRRESA-N -1 0 341.455 3.819 20 0 EHADRM O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc([O-])c(Cl)c1 ZINC000273417163 1027416088 /nfs/dbraw/zinc/41/60/88/1027416088.db2.gz RCLVMFLFKAWMAS-PBHICJAKSA-N -1 0 349.789 3.835 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)Nc1ccc(F)c(F)c1)C1CCCCC1 ZINC000237578008 1027484171 /nfs/dbraw/zinc/48/41/71/1027484171.db2.gz RZEUFCLAZUGHQC-KRWDZBQOSA-N -1 0 325.355 3.965 20 0 EHADRM Cc1cc(C)c(NC(=O)[C@@](C)(CC(=O)[O-])c2ccc(F)cc2)cc1O ZINC000634828751 1027484653 /nfs/dbraw/zinc/48/46/53/1027484653.db2.gz FANYVFNXRIRPLJ-IBGZPJMESA-N -1 0 345.370 3.519 20 0 EHADRM Cc1noc(C)c1CCC(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000273607524 1027515241 /nfs/dbraw/zinc/51/52/41/1027515241.db2.gz KYBSTRJTCYXLMT-UHFFFAOYSA-N -1 0 329.183 3.875 20 0 EHADRM Cc1nc2ccc(S(=O)(=O)[N-]c3c(C)cc(C)nc3C)cc2s1 ZINC000414456261 1027544181 /nfs/dbraw/zinc/54/41/81/1027544181.db2.gz IVXYXRJFFOFRPJ-UHFFFAOYSA-N -1 0 347.465 3.726 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)CCC1 ZINC000262521487 1027579328 /nfs/dbraw/zinc/57/93/28/1027579328.db2.gz NXFYHHCKHYBMHV-GOSISDBHSA-N -1 0 337.419 3.732 20 0 EHADRM CC(C)n1ncc(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c1C1CC1 ZINC000414457825 1027592080 /nfs/dbraw/zinc/59/20/80/1027592080.db2.gz VMBVFTLPZXURMJ-GFCCVEGCSA-N -1 0 341.411 3.782 20 0 EHADRM O=C([O-])CCCCCNC(=O)NCc1ccc(-c2ccco2)cc1F ZINC000414644229 1027647366 /nfs/dbraw/zinc/64/73/66/1027647366.db2.gz NWUSDWKWKKFWKK-UHFFFAOYSA-N -1 0 348.374 3.530 20 0 EHADRM Oc1ccc(-c2noc(CSC[C@H]3CCCCO3)n2)c(Cl)c1 ZINC000277891658 1027671585 /nfs/dbraw/zinc/67/15/85/1027671585.db2.gz DAJPPZFURCYEQK-LLVKDONJSA-N -1 0 340.832 3.898 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1ccc(Cn2ccnc2)cc1 ZINC000353858998 1027733169 /nfs/dbraw/zinc/73/31/69/1027733169.db2.gz REKIYWAJEMNVJT-UHFFFAOYSA-N -1 0 345.761 3.682 20 0 EHADRM Cc1cc(C)cc(-c2noc(-c3ccc(N(C)CC(=O)[O-])cc3)n2)c1 ZINC001211942830 1027771234 /nfs/dbraw/zinc/77/12/34/1027771234.db2.gz SMHYUNSISLBXMO-UHFFFAOYSA-N -1 0 337.379 3.541 20 0 EHADRM C[C@@H](CSc1n[n-]c(=NCCc2ccccc2)s1)C(F)(F)F ZINC000532672966 1027821090 /nfs/dbraw/zinc/82/10/90/1027821090.db2.gz YNDAYVGWJPHZPH-JTQLQIEISA-N -1 0 347.431 3.905 20 0 EHADRM CC1(C)CCC[C@H]1CCNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC001167622556 1027857178 /nfs/dbraw/zinc/85/71/78/1027857178.db2.gz KPEKDVXGEUWYNC-ZDUSSCGKSA-N -1 0 345.418 3.663 20 0 EHADRM O=[N+]([O-])c1cc(CN=Nc2nc(-c3ccccc3)cs2)ccc1[O-] ZINC000003961678 1027950449 /nfs/dbraw/zinc/95/04/49/1027950449.db2.gz NJULNNGLUDWOBK-UHFFFAOYSA-N -1 0 340.364 3.870 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)c2nn(-c3ccccc3)cc2[O-])c2ccccc21 ZINC000487501950 1027961949 /nfs/dbraw/zinc/96/19/49/1027961949.db2.gz LTJBOWJQJQZEEX-KRWDZBQOSA-N -1 0 347.418 3.978 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N[C@H](C)c2cc(C)cc(C)c2)s1 ZINC000503704418 1028086159 /nfs/dbraw/zinc/08/61/59/1028086159.db2.gz YGRTWASXSMAEPH-LLVKDONJSA-N -1 0 336.486 3.572 20 0 EHADRM CCCOc1ccc([N-]S(=O)(=O)c2cccc3c2OCC3)c(C)c1 ZINC000421158227 1028138779 /nfs/dbraw/zinc/13/87/79/1028138779.db2.gz UIBLYNBRNYDOIG-UHFFFAOYSA-N -1 0 347.436 3.520 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1Cl ZINC000614840437 1028151489 /nfs/dbraw/zinc/15/14/89/1028151489.db2.gz HKMUUCWDDACXAJ-UHFFFAOYSA-N -1 0 347.770 3.818 20 0 EHADRM Cc1cc(Nc2cc(Cl)cc(C(=O)[O-])c2)n(Cc2ccccn2)n1 ZINC001211962532 1028215740 /nfs/dbraw/zinc/21/57/40/1028215740.db2.gz HCSXEHDKNUKIPQ-UHFFFAOYSA-N -1 0 342.786 3.730 20 0 EHADRM CCCCN(CC)c1ccc(C(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000532694912 1028225346 /nfs/dbraw/zinc/22/53/46/1028225346.db2.gz HGUJJWXVCWIBEV-MRXNPFEDSA-N -1 0 346.471 3.640 20 0 EHADRM COC(=O)Cc1ccc(OC)c(Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC001211965310 1028271875 /nfs/dbraw/zinc/27/18/75/1028271875.db2.gz YPUDUTUMEFNOJH-UHFFFAOYSA-N -1 0 349.770 3.506 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2cccc(CN3CCOCC3)c2)c1 ZINC001211965198 1028271931 /nfs/dbraw/zinc/27/19/31/1028271931.db2.gz TWWWQKDHXRCEPV-UHFFFAOYSA-N -1 0 346.814 3.614 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)N=c2[n-]nc(SCc3ccccc3)s2)C1 ZINC000444798835 1028292194 /nfs/dbraw/zinc/29/21/94/1028292194.db2.gz GGIQKIVTFZBNFP-YPMHNXCESA-N -1 0 348.497 3.562 20 0 EHADRM Cc1ccc(F)c(-c2cc(=NC(=O)c3ccc([O-])c(Cl)c3)[nH][nH]2)c1 ZINC000444818285 1028323557 /nfs/dbraw/zinc/32/35/57/1028323557.db2.gz RZLCOIVEOLGYJX-UHFFFAOYSA-N -1 0 345.761 3.557 20 0 EHADRM COc1cc(C(=O)N2CCC[C@@H]2C2CCCCC2)cc(OC)c1O ZINC000161975123 1028387170 /nfs/dbraw/zinc/38/71/70/1028387170.db2.gz QNWFMGUIGHUZSF-OAHLLOKOSA-N -1 0 333.428 3.594 20 0 EHADRM COC(=O)c1ccc(Nc2cc(Cl)cc(C(=O)[O-])c2)c(F)c1F ZINC001211969305 1028409700 /nfs/dbraw/zinc/40/97/00/1028409700.db2.gz CAQPNDNMFFYTGN-UHFFFAOYSA-N -1 0 341.697 3.847 20 0 EHADRM CN(Cc1ccc(Cl)s1)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000072857217 1028525211 /nfs/dbraw/zinc/52/52/11/1028525211.db2.gz LVKYDYUFTURMHH-UHFFFAOYSA-N -1 0 347.827 3.565 20 0 EHADRM O=C(N[C@@H]1CCOc2ccc(F)cc21)c1cc(F)c([O-])c(Cl)c1 ZINC000194661736 1028531912 /nfs/dbraw/zinc/53/19/12/1028531912.db2.gz FFRAFQAHPHVXLZ-CYBMUJFWSA-N -1 0 339.725 3.577 20 0 EHADRM Cc1cc(OCC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)ccc1C(C)C ZINC000236669701 1028560274 /nfs/dbraw/zinc/56/02/74/1028560274.db2.gz QZSNLIFCKQYYBS-INIZCTEOSA-N -1 0 347.455 3.601 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCc2c([nH]c3ccccc32)C1 ZINC000194960121 1028565984 /nfs/dbraw/zinc/56/59/84/1028565984.db2.gz PXJOAPIHMYWGAL-UHFFFAOYSA-N -1 0 344.773 3.865 20 0 EHADRM Cc1ccc(-c2n[n-]c(=NC(=O)c3ccc(F)c(C)c3)s2)c(C)c1 ZINC000504340390 1028566116 /nfs/dbraw/zinc/56/61/16/1028566116.db2.gz AGEJFFYKIJNKMH-UHFFFAOYSA-N -1 0 341.411 3.944 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)[C@@H](C)Sc1ccccc1Cl ZINC000236726117 1028578010 /nfs/dbraw/zinc/57/80/10/1028578010.db2.gz RPSKLMZOTZGLRV-GFCCVEGCSA-N -1 0 343.876 3.780 20 0 EHADRM CC(C)C[C@@H](NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000236775355 1028580415 /nfs/dbraw/zinc/58/04/15/1028580415.db2.gz OPCXQUMQQUFHTN-SMDDNHRTSA-N -1 0 345.361 3.815 20 0 EHADRM CC(C)c1ccsc1C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000236813698 1028591206 /nfs/dbraw/zinc/59/12/06/1028591206.db2.gz OIIMQZSZRUEWOO-AWEZNQCLSA-N -1 0 331.437 3.545 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000236971777 1028604230 /nfs/dbraw/zinc/60/42/30/1028604230.db2.gz URGOCFOZUVYJEF-ZMZKGCHWSA-N -1 0 344.238 3.712 20 0 EHADRM CCOc1cccc2cc([C@@H](C)NC(=O)c3ccc(C(=O)[O-])o3)oc21 ZINC000236985270 1028607899 /nfs/dbraw/zinc/60/78/99/1028607899.db2.gz GAELBIWCHGBKMG-SNVBAGLBSA-N -1 0 343.335 3.614 20 0 EHADRM CCOC(=O)c1ccc(NC(=O)c2cc(F)c([O-])c(Cl)c2)cc1 ZINC000445246281 1028653078 /nfs/dbraw/zinc/65/30/78/1028653078.db2.gz DGKHPVFJHCXQSX-UHFFFAOYSA-N -1 0 337.734 3.614 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000237489930 1028653308 /nfs/dbraw/zinc/65/33/08/1028653308.db2.gz UZXSYFUCUIPUNN-LBPRGKRZSA-N -1 0 349.789 3.842 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)c(C)n1C1CC1 ZINC000237665166 1028659082 /nfs/dbraw/zinc/65/90/82/1028659082.db2.gz QMFSLHNMQMIAOA-SFHVURJKSA-N -1 0 340.423 3.694 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)c3ccc(C(=O)[O-])o3)cc2)cs1 ZINC000237806758 1028665378 /nfs/dbraw/zinc/66/53/78/1028665378.db2.gz YANLRRMWBLONPZ-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N=c2ccc(C3CC3)n[n-]2)c1 ZINC000523844398 1028671794 /nfs/dbraw/zinc/67/17/94/1028671794.db2.gz FTKMGAUEAFNCMV-CQSZACIVSA-N -1 0 339.439 3.614 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)c2cc3cc(Cl)ccc3o2)c1 ZINC000238037427 1028672198 /nfs/dbraw/zinc/67/21/98/1028672198.db2.gz YIPNEIQKSKMKLQ-UHFFFAOYSA-N -1 0 345.738 3.802 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cnc(-c3ccsc3)s2)cc1 ZINC000238193257 1028681744 /nfs/dbraw/zinc/68/17/44/1028681744.db2.gz KUKJYWRJPPUYOO-UHFFFAOYSA-N -1 0 330.390 3.822 20 0 EHADRM CC(C)n1ccc(CSc2n[n-]c(=Nc3ccccc3)s2)n1 ZINC000523880741 1028697002 /nfs/dbraw/zinc/69/70/02/1028697002.db2.gz UNFCYLDBVWRGGJ-UHFFFAOYSA-N -1 0 331.470 3.773 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)n1 ZINC000504530171 1028713237 /nfs/dbraw/zinc/71/32/37/1028713237.db2.gz PLBQZTYIZSKGLY-UHFFFAOYSA-N -1 0 348.852 3.997 20 0 EHADRM Cc1ccc(Cc2n[n-]c(=NC(=O)N(C)[C@H]3CC[C@@H](C)C3)s2)cc1 ZINC000429736127 1028733092 /nfs/dbraw/zinc/73/30/92/1028733092.db2.gz GXNBEDMWFLDPAA-HIFRSBDPSA-N -1 0 344.484 3.512 20 0 EHADRM O=C(Nc1cc(Cl)cc(Br)c1[O-])[C@@]12C[C@@H]1CCC2 ZINC000421790824 1028798866 /nfs/dbraw/zinc/79/88/66/1028798866.db2.gz GHMLDWKDLMPYEA-CPFSXVBKSA-N -1 0 330.609 3.937 20 0 EHADRM C[C@@H]1C[C@H](C)CCN(C(=O)N=c2[n-]nc(-c3ccccc3)s2)C1 ZINC000502876661 1028769009 /nfs/dbraw/zinc/76/90/09/1028769009.db2.gz QTETUOXFYPUWNF-CHWSQXEVSA-N -1 0 330.457 3.527 20 0 EHADRM CC[C@](C)(CC(=O)[O-])C(=O)Nc1ccc(OC(C)C)cc1Cl ZINC000634831233 1028781539 /nfs/dbraw/zinc/78/15/39/1028781539.db2.gz SZMDYPOODNZVQN-MRXNPFEDSA-N -1 0 327.808 3.957 20 0 EHADRM Cc1ccc(Oc2ccccc2NC(=O)[C@H](C)O[C@H](C)C(=O)[O-])cc1 ZINC000421806730 1028792113 /nfs/dbraw/zinc/79/21/13/1028792113.db2.gz MMESDFJFPWENAP-UONOGXRCSA-N -1 0 343.379 3.604 20 0 EHADRM C[C@@]1(C(=O)Nc2cc(Cl)cc(Br)c2[O-])CC1(F)F ZINC000421792115 1028799680 /nfs/dbraw/zinc/79/96/80/1028799680.db2.gz MSYALQNTKZLTBM-JTQLQIEISA-N -1 0 340.551 3.792 20 0 EHADRM Cc1cc(C)c(Nc2cc3ccccc3n2C)c(S(=O)(=O)[O-])c1 ZINC001212049365 1028887937 /nfs/dbraw/zinc/88/79/37/1028887937.db2.gz RDAJHKTYHGBWCN-UHFFFAOYSA-N -1 0 330.409 3.785 20 0 EHADRM COc1ccc(-c2nc(CN3CCC[C@@H](C)[C@H]3C(=O)[O-])cs2)cc1 ZINC000424271154 1028945716 /nfs/dbraw/zinc/94/57/16/1028945716.db2.gz ORLZSMNCBPGWFG-WBMJQRKESA-N -1 0 346.452 3.504 20 0 EHADRM CC(C)c1cc(C(=O)N2CCC[C@H](CC(=O)[O-])C2)c2ccccc2n1 ZINC000532874629 1028958638 /nfs/dbraw/zinc/95/86/38/1028958638.db2.gz DWWLCHYTFLRYRR-CQSZACIVSA-N -1 0 340.423 3.685 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCC[C@H](CC(F)(F)F)C1 ZINC000421971465 1028970960 /nfs/dbraw/zinc/97/09/60/1028970960.db2.gz UOQJAEDYUAMAOQ-SSDOTTSWSA-N -1 0 341.251 3.614 20 0 EHADRM CCCOc1cc(C)ccc1CNC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000445657163 1029027518 /nfs/dbraw/zinc/02/75/18/1029027518.db2.gz OQDKSBGTVZJOFX-UHFFFAOYSA-N -1 0 347.455 3.825 20 0 EHADRM CCC(CC)(CC(=O)NCc1ccc(C)cc1OC(C)C)C(=O)[O-] ZINC000445655165 1029028470 /nfs/dbraw/zinc/02/84/70/1029028470.db2.gz GZWSUVGYLSFKGI-UHFFFAOYSA-N -1 0 335.444 3.680 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)N2CC3(CCC3)[C@@H]2c2ccco2)s1 ZINC000454553417 1029034603 /nfs/dbraw/zinc/03/46/03/1029034603.db2.gz WYXUVNJCUBLMPK-LBPRGKRZSA-N -1 0 346.456 3.610 20 0 EHADRM COCc1cc(NC(=O)CCCSC(C)(C)C)cc(C(=O)[O-])c1 ZINC000909627284 1029039045 /nfs/dbraw/zinc/03/90/45/1029039045.db2.gz ROQFWHQZSSJFLD-UHFFFAOYSA-N -1 0 339.457 3.782 20 0 EHADRM CC(=O)N(Cc1ccc(NC(=O)c2ccc(F)cc2[O-])cc1)C(C)C ZINC000123840255 1029046830 /nfs/dbraw/zinc/04/68/30/1029046830.db2.gz YLMPHOZBUHRSTP-UHFFFAOYSA-N -1 0 344.386 3.541 20 0 EHADRM COc1ccc(N=c2nc(C(F)(F)F)[n-]s2)cc1OC(C)C ZINC000583161887 1029067680 /nfs/dbraw/zinc/06/76/80/1029067680.db2.gz UXAMUCWGZSNRKI-UHFFFAOYSA-N -1 0 333.335 3.518 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1cncn1-c1ccc(F)cc1 ZINC000353856751 1029114302 /nfs/dbraw/zinc/11/43/02/1029114302.db2.gz JNPIXGTUYLBFPW-UHFFFAOYSA-N -1 0 349.724 3.762 20 0 EHADRM CC(C)[C@@H]1CCN1C(=O)N=c1[n-]nc(C(C)(C)c2ccccc2)s1 ZINC000454739266 1029252532 /nfs/dbraw/zinc/25/25/32/1029252532.db2.gz OWMHKRLXFJOKOO-AWEZNQCLSA-N -1 0 344.484 3.548 20 0 EHADRM Cc1cccnc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C)c1 ZINC000357393988 1029262244 /nfs/dbraw/zinc/26/22/44/1029262244.db2.gz UQGZIANMOPCBPG-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)C2(c3cccc(F)c3)CCC2)c1 ZINC000272156448 1029338033 /nfs/dbraw/zinc/33/80/33/1029338033.db2.gz WRWDJDLQMGKLRH-UHFFFAOYSA-N -1 0 327.355 3.794 20 0 EHADRM CC(C)(C)OCC(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000272208675 1029361241 /nfs/dbraw/zinc/36/12/41/1029361241.db2.gz RFBMCVUNPGLXKB-UHFFFAOYSA-N -1 0 336.613 3.562 20 0 EHADRM CC(C)c1cc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])nn1C ZINC000272193224 1029353422 /nfs/dbraw/zinc/35/34/22/1029353422.db2.gz GFMNNLHKXMQPSD-UHFFFAOYSA-N -1 0 328.199 3.808 20 0 EHADRM CCc1ncsc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000162006124 1029377673 /nfs/dbraw/zinc/37/76/73/1029377673.db2.gz RBLMSBOCOIKYQD-UHFFFAOYSA-N -1 0 337.253 3.813 20 0 EHADRM CCCOc1c(/C=C/c2cc(C(=O)[O-])ncn2)cccc1OCC ZINC000533124056 1029378776 /nfs/dbraw/zinc/37/87/76/1029378776.db2.gz FDXAGQQHICFRNS-CMDGGOBGSA-N -1 0 328.368 3.533 20 0 EHADRM CCc1cnc(CSc2n[n-]c(=Nc3cccc(OC)c3)s2)o1 ZINC000524680454 1029419565 /nfs/dbraw/zinc/41/95/65/1029419565.db2.gz JWBBLFVFUXJEMV-UHFFFAOYSA-N -1 0 348.453 3.555 20 0 EHADRM CC[C@H]1CO[C@@H](C)CN1Cc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000320951918 1029452126 /nfs/dbraw/zinc/45/21/26/1029452126.db2.gz XYCACWSTNKFABZ-QWRGUYRKSA-N -1 0 337.416 3.738 20 0 EHADRM CCc1oc(C(=O)NCc2ccc3[nH]c(C)c(C)c3c2)cc1C(=O)[O-] ZINC000261609118 1029460595 /nfs/dbraw/zinc/46/05/95/1029460595.db2.gz FGHHPAKPOKZMHD-UHFFFAOYSA-N -1 0 340.379 3.568 20 0 EHADRM CCc1oc(C(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)cc1C(=O)[O-] ZINC000261636886 1029465099 /nfs/dbraw/zinc/46/50/99/1029465099.db2.gz KIIQYERCSHVJIR-HOCLYGCPSA-N -1 0 341.407 3.681 20 0 EHADRM CCc1oc(C(=O)N2CCC[C@H]2c2ccc(C)cc2)cc1C(=O)[O-] ZINC000261623071 1029478214 /nfs/dbraw/zinc/47/82/14/1029478214.db2.gz IDMSDCNVOJACQX-HNNXBMFYSA-N -1 0 327.380 3.826 20 0 EHADRM OCCC[C@@H](N=c1[n-]nc(-c2ccccc2)s1)c1ccccc1 ZINC000524841173 1029554568 /nfs/dbraw/zinc/55/45/68/1029554568.db2.gz BTWIZMUEHLMQBN-MRXNPFEDSA-N -1 0 325.437 3.553 20 0 EHADRM COc1ccc(CCc2n[n-]c(=NCc3ccsc3Cl)o2)cc1 ZINC000358379718 1029556004 /nfs/dbraw/zinc/55/60/04/1029556004.db2.gz GMVZWUWHWIXGSD-UHFFFAOYSA-N -1 0 349.843 3.612 20 0 EHADRM Cc1sc(C(=O)N([C@H](C)C(=O)[O-])C2CC2)cc1-c1ccc(F)cc1 ZINC000262096246 1029560371 /nfs/dbraw/zinc/56/03/71/1029560371.db2.gz GZSWCFCVRUXOMS-SNVBAGLBSA-N -1 0 347.411 3.940 20 0 EHADRM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC000262429097 1029591867 /nfs/dbraw/zinc/59/18/67/1029591867.db2.gz RKFVUNZLGPBGHC-SWLSCSKDSA-N -1 0 327.355 3.542 20 0 EHADRM O=C([O-])CC[C@@H]1CCCC[N@@H+]1Cc1cc(Br)ccc1F ZINC000050924963 1029613430 /nfs/dbraw/zinc/61/34/30/1029613430.db2.gz JNOQUDXSTXOGSP-ZDUSSCGKSA-N -1 0 344.224 3.808 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)CC(c1ccccc1)c1ccccc1)C1CC1 ZINC000262632620 1029617951 /nfs/dbraw/zinc/61/79/51/1029617951.db2.gz OSNYSNHWKUYAEY-HNNXBMFYSA-N -1 0 337.419 3.673 20 0 EHADRM CCN(Cc1ccccc1C)C(=O)CCc1ccccc1C(=O)[O-] ZINC000262728510 1029627743 /nfs/dbraw/zinc/62/77/43/1029627743.db2.gz CBOQABAAPCWFJS-UHFFFAOYSA-N -1 0 325.408 3.675 20 0 EHADRM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000262833043 1029641055 /nfs/dbraw/zinc/64/10/55/1029641055.db2.gz BTVRRNMGPMQALZ-XQQFMLRXSA-N -1 0 338.473 3.595 20 0 EHADRM CC[C@H](C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000262837414 1029643460 /nfs/dbraw/zinc/64/34/60/1029643460.db2.gz GNTSCAYRMIVZGJ-OTWHNJEPSA-N -1 0 337.419 3.507 20 0 EHADRM C[C@@H]1CCC[C@H](CC(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)C1 ZINC000262995163 1029655620 /nfs/dbraw/zinc/65/56/20/1029655620.db2.gz VSXBUPLYTGTZGT-ATLSCFEFSA-N -1 0 329.440 3.530 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccccc2-c2cccs2)C1 ZINC000263039262 1029659399 /nfs/dbraw/zinc/65/93/99/1029659399.db2.gz CCXZSUCNCUPCNM-STQMWFEESA-N -1 0 344.436 3.990 20 0 EHADRM C[C@@H]1CCCC[C@H]1C(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC000263065380 1029663018 /nfs/dbraw/zinc/66/30/18/1029663018.db2.gz NZZWVVFFZHSOLN-CRAIPNDOSA-N -1 0 343.467 3.992 20 0 EHADRM O=C([O-])CCCNC(=O)Nc1cc(Cl)ccc1OCC1CCC1 ZINC000263118437 1029667091 /nfs/dbraw/zinc/66/70/91/1029667091.db2.gz WPCHNTPQQMWRTE-UHFFFAOYSA-N -1 0 340.807 3.505 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)CCCc2csc3ccccc23)C1 ZINC000263143766 1029668835 /nfs/dbraw/zinc/66/88/35/1029668835.db2.gz DVXKXPLOHYWJME-ZFWWWQNUSA-N -1 0 345.464 3.793 20 0 EHADRM CCC[C@H](CNC(=O)C(C)(C)Cc1cccc(Cl)c1)C(=O)[O-] ZINC000263151218 1029669768 /nfs/dbraw/zinc/66/97/68/1029669768.db2.gz IZMKWFAQYVPCBP-CYBMUJFWSA-N -1 0 325.836 3.526 20 0 EHADRM C[C@@H]1C[C@@H](CC(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)CC(C)(C)C1 ZINC000263158739 1029670495 /nfs/dbraw/zinc/67/04/95/1029670495.db2.gz XWZNGXZQRQWKTI-WQGACYEGSA-N -1 0 349.393 3.705 20 0 EHADRM Cc1cc2ccccc2c(NC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000263156340 1029670527 /nfs/dbraw/zinc/67/05/27/1029670527.db2.gz PYLSYSLQPKRWQF-HIFRSBDPSA-N -1 0 326.396 3.723 20 0 EHADRM CCC[C@H](CNC(=O)c1sccc1-c1ccc(C)cc1)C(=O)[O-] ZINC000263198385 1029673378 /nfs/dbraw/zinc/67/33/78/1029673378.db2.gz NIPUUHBXOJLJEA-CQSZACIVSA-N -1 0 331.437 3.954 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000263212901 1029674076 /nfs/dbraw/zinc/67/40/76/1029674076.db2.gz NSCVCAPAXQEOID-OLZOCXBDSA-N -1 0 333.384 3.565 20 0 EHADRM Cc1c2cccc(Cl)c2oc1C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000263214530 1029674625 /nfs/dbraw/zinc/67/46/25/1029674625.db2.gz NVZPBXCHNWIYMP-ONGXEEELSA-N -1 0 335.787 3.720 20 0 EHADRM C[C@@H](CCC(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000263216568 1029676181 /nfs/dbraw/zinc/67/61/81/1029676181.db2.gz XQIRYDBANCDUAB-HNNXBMFYSA-N -1 0 325.408 3.627 20 0 EHADRM CCOc1ccccc1-c1cccc(C(=O)N(CC(=O)[O-])C(C)C)c1 ZINC000263258893 1029680736 /nfs/dbraw/zinc/68/07/36/1029680736.db2.gz LQKGCYVYOAIMGL-UHFFFAOYSA-N -1 0 341.407 3.688 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000263321766 1029688320 /nfs/dbraw/zinc/68/83/20/1029688320.db2.gz NQVCKLHINGLRGN-YOEHRIQHSA-N -1 0 341.407 3.979 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccc(F)cc1F ZINC000263324382 1029689091 /nfs/dbraw/zinc/68/90/91/1029689091.db2.gz OGXASMNHQWULEQ-ZETOZRRWSA-N -1 0 339.382 3.669 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC000263334312 1029689099 /nfs/dbraw/zinc/68/90/99/1029689099.db2.gz QNBGLMKSHSEKFU-SFHVURJKSA-N -1 0 347.455 3.618 20 0 EHADRM C[C@H](CN(C)C(=O)Nc1ccc(OCC2CCCCC2)cc1)C(=O)[O-] ZINC000263462056 1029701307 /nfs/dbraw/zinc/70/13/07/1029701307.db2.gz DYTCWNDNXFAQIZ-CQSZACIVSA-N -1 0 348.443 3.830 20 0 EHADRM C/C=C/C[C@H](NC(=O)c1c(C)c(C)oc1-c1ccccc1)C(=O)[O-] ZINC000263527096 1029709643 /nfs/dbraw/zinc/70/96/43/1029709643.db2.gz KLRUMJUSPJHEET-RGDDUWESSA-N -1 0 327.380 3.713 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000347385244 1029719716 /nfs/dbraw/zinc/71/97/16/1029719716.db2.gz YTGLKSDKVJGPKP-MRXNPFEDSA-N -1 0 341.407 3.659 20 0 EHADRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1sccc1C ZINC000446619533 1029727686 /nfs/dbraw/zinc/72/76/86/1029727686.db2.gz GURHGEOFKZJUKI-UHFFFAOYSA-N -1 0 329.468 3.588 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)c2cccc(C)c2C)s[n-]1 ZINC000472286807 1029858421 /nfs/dbraw/zinc/85/84/21/1029858421.db2.gz NYIHUBBRSQWRBW-UHFFFAOYSA-N -1 0 329.450 3.866 20 0 EHADRM Cc1ccc(CN=c2[n-]nc([C@@H]3Cc4ccccc4O3)o2)cc1Cl ZINC000446963403 1029866763 /nfs/dbraw/zinc/86/67/63/1029866763.db2.gz XVNHKGBHLKLVHW-INIZCTEOSA-N -1 0 341.798 3.742 20 0 EHADRM CCN(CC(C)(C)C)C(=O)c1nn(-c2cc(C)ccc2F)cc1[O-] ZINC000428658127 1029871749 /nfs/dbraw/zinc/87/17/49/1029871749.db2.gz CRXRAOQIZVAUEV-UHFFFAOYSA-N -1 0 333.407 3.534 20 0 EHADRM Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000119991494 1029894665 /nfs/dbraw/zinc/89/46/65/1029894665.db2.gz YQNCXLZKFGVMGK-UHFFFAOYSA-N -1 0 331.315 3.536 20 0 EHADRM Fc1ccc(Br)cc1CN=c1[n-]nc(-c2ccccc2)o1 ZINC000508585727 1029977858 /nfs/dbraw/zinc/97/78/58/1029977858.db2.gz DHTSBHCKOOVZRC-UHFFFAOYSA-N -1 0 348.175 3.672 20 0 EHADRM CCSCc1ccnc([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000090367927 1030104780 /nfs/dbraw/zinc/10/47/80/1030104780.db2.gz ZHVUUVXXIJCQDZ-UHFFFAOYSA-N -1 0 342.873 3.789 20 0 EHADRM CCC(CC)NC(=O)N=c1[n-]nc(-c2c(F)cccc2Cl)s1 ZINC000481912707 1030117328 /nfs/dbraw/zinc/11/73/28/1030117328.db2.gz YTKGPHMAJFXWTD-UHFFFAOYSA-N -1 0 342.827 3.730 20 0 EHADRM CCc1ccc(CC(=O)N=c2nc(-c3sccc3C)[n-]s2)cc1 ZINC000472292923 1030182745 /nfs/dbraw/zinc/18/27/45/1030182745.db2.gz JJYRTNBCZUFDIX-UHFFFAOYSA-N -1 0 343.477 3.741 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2cnc(C)s2)cc1C(C)C ZINC000432768451 1030197582 /nfs/dbraw/zinc/19/75/82/1030197582.db2.gz LHSXKMAEDZUART-UHFFFAOYSA-N -1 0 340.470 3.693 20 0 EHADRM CC[C@@]1(C)CCCN(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])C1 ZINC000447520241 1030242505 /nfs/dbraw/zinc/24/25/05/1030242505.db2.gz ASNPXNDSZILNMN-SFHVURJKSA-N -1 0 347.846 3.884 20 0 EHADRM Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000126894278 1030243849 /nfs/dbraw/zinc/24/38/49/1030243849.db2.gz HZGKUWPFAGVAEU-UHFFFAOYSA-N -1 0 334.441 3.959 20 0 EHADRM CCCOc1ccc([N-]S(=O)(=O)c2ccoc2)cc1OCCC ZINC000349919257 1030497010 /nfs/dbraw/zinc/49/70/10/1030497010.db2.gz DGOUDDLWXVTJGK-UHFFFAOYSA-N -1 0 339.413 3.658 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)[C@H]3C[C@@H]3c3sccc3C)[nH][n-]2)o1 ZINC000447805555 1030506028 /nfs/dbraw/zinc/50/60/28/1030506028.db2.gz JCTJKECUDYUXEJ-RYUDHWBXSA-N -1 0 327.409 3.512 20 0 EHADRM CCOc1ccc(C(=O)N=c2nc(-c3sccc3C)[n-]s2)cc1 ZINC000472299725 1030506845 /nfs/dbraw/zinc/50/68/45/1030506845.db2.gz VPBPZSSKSGUYQP-UHFFFAOYSA-N -1 0 345.449 3.648 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])NC(=O)[C@@H](C)CC2CCCC2)c1 ZINC000532260200 1030523841 /nfs/dbraw/zinc/52/38/41/1030523841.db2.gz UVOLGQZSDJJNHG-SUMWQHHRSA-N -1 0 333.428 3.544 20 0 EHADRM CCn1nc([N-]S(=O)(=O)c2ccccc2C(C)C)cc1C1CC1 ZINC000527038452 1030586518 /nfs/dbraw/zinc/58/65/18/1030586518.db2.gz NGFVQIJAEMYNRQ-UHFFFAOYSA-N -1 0 333.457 3.705 20 0 EHADRM Brc1ccccc1CN=c1[n-]nc(-c2ccccc2)o1 ZINC000508605838 1030624104 /nfs/dbraw/zinc/62/41/04/1030624104.db2.gz WCINPKHLUOAROH-UHFFFAOYSA-N -1 0 330.185 3.533 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cc(Cl)ncc2Cl)c1 ZINC000780999194 1030636219 /nfs/dbraw/zinc/63/62/19/1030636219.db2.gz JADIUQOUQQFNED-UHFFFAOYSA-N -1 0 325.151 3.549 20 0 EHADRM Cc1cc(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)c(Cl)cc1F ZINC000347362978 1030675729 /nfs/dbraw/zinc/67/57/29/1030675729.db2.gz JIBNRGBVALNQNG-CQSZACIVSA-N -1 0 347.773 3.612 20 0 EHADRM O=C([O-])c1coc(CN2CCCC[C@H]2c2cc3ccccc3[nH]2)n1 ZINC000568060767 1030684952 /nfs/dbraw/zinc/68/49/52/1030684952.db2.gz NTBNDONPAWDGQN-INIZCTEOSA-N -1 0 325.368 3.581 20 0 EHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000194214641 1030696435 /nfs/dbraw/zinc/69/64/35/1030696435.db2.gz VAWYMJSXMCSUTD-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CCC[C@@H]1CN(Cc2c(C(=O)[O-])sc3cccc(F)c32)CCO1 ZINC000568062867 1030706491 /nfs/dbraw/zinc/70/64/91/1030706491.db2.gz SWUOXEYSDIHQAX-LLVKDONJSA-N -1 0 337.416 3.740 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)ccn1)c1cc(Cl)cc(Cl)c1 ZINC000122661774 1030711164 /nfs/dbraw/zinc/71/11/64/1030711164.db2.gz VHSSENWAKHVKEU-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM COc1cccc(N=c2[n-]nc(SCC(=O)C3CCCC3)s2)c1 ZINC000527245195 1030732903 /nfs/dbraw/zinc/73/29/03/1030732903.db2.gz BFBSMIANTRIUIJ-UHFFFAOYSA-N -1 0 349.481 3.564 20 0 EHADRM O=c1nc(Cc2cncs2)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000527283865 1030750951 /nfs/dbraw/zinc/75/09/51/1030750951.db2.gz RIWDGHYZEZVDSH-UHFFFAOYSA-N -1 0 343.408 3.838 20 0 EHADRM O=C([O-])C[C@H]1CCCN(c2ccc3cc(Br)ccc3n2)C1 ZINC000668157988 1030804789 /nfs/dbraw/zinc/80/47/89/1030804789.db2.gz DQYIJACZZLHOGB-LLVKDONJSA-N -1 0 349.228 3.688 20 0 EHADRM C[C@H](CC(=O)[O-])N(C)Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000583823842 1030858287 /nfs/dbraw/zinc/85/82/87/1030858287.db2.gz KAISZHCWCQOTPO-LLVKDONJSA-N -1 0 338.860 3.682 20 0 EHADRM Cc1ccccc1C1(C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)CCCCC1 ZINC000262839587 1030929850 /nfs/dbraw/zinc/92/98/50/1030929850.db2.gz CXIOJFFHCQSBEA-IRXDYDNUSA-N -1 0 343.467 3.766 20 0 EHADRM CCC(CC)(CC(=O)Nc1ccc2oc(C3CC3)nc2c1)C(=O)[O-] ZINC000027057914 1031055354 /nfs/dbraw/zinc/05/53/54/1031055354.db2.gz BXQFRAGIMWFBDG-UHFFFAOYSA-N -1 0 330.384 3.925 20 0 EHADRM O=C(c1csc(NC2CC2)n1)N1CCC[C@H](c2ccccc2)CC1 ZINC000476947564 1031096189 /nfs/dbraw/zinc/09/61/89/1031096189.db2.gz AWRLEERBWJMMMB-HNNXBMFYSA-N -1 0 341.480 3.549 20 0 EHADRM C[C@@H]1CC=CC[C@H]1C(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000551206954 1031125909 /nfs/dbraw/zinc/12/59/09/1031125909.db2.gz OPCVEJVBXBKXCE-GHMZBOCLSA-N -1 0 333.844 3.821 20 0 EHADRM O=S(=O)([N-]c1ccsc1)c1ccc(F)c(C(F)(F)F)c1 ZINC000174252580 1031183603 /nfs/dbraw/zinc/18/36/03/1031183603.db2.gz KNCQNAWEKVYFOF-UHFFFAOYSA-N -1 0 325.308 3.707 20 0 EHADRM CC[C@H](O)CCN=c1[n-]nc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000477136094 1031274217 /nfs/dbraw/zinc/27/42/17/1031274217.db2.gz KTJZMUNRRBUAOO-NSHDSACASA-N -1 0 332.256 3.507 20 0 EHADRM COCCCOc1cccc(CNc2cc(C(=O)[O-])ccc2C)c1 ZINC000551423261 1031314826 /nfs/dbraw/zinc/31/48/26/1031314826.db2.gz RRJUHSIYXDOHAR-UHFFFAOYSA-N -1 0 329.396 3.721 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000668304290 1031429400 /nfs/dbraw/zinc/42/94/00/1031429400.db2.gz JFKRMGXNPRRRKQ-DLBZAZTESA-N -1 0 343.810 3.643 20 0 EHADRM CC(C)c1nnc([N-]S(=O)(=O)c2cccc(C(C)C)c2)s1 ZINC000176597659 1031465427 /nfs/dbraw/zinc/46/54/27/1031465427.db2.gz GIHBUIKVKNXWJY-UHFFFAOYSA-N -1 0 325.459 3.586 20 0 EHADRM O=C([O-])C1CC(C(=O)N(Cc2c(Cl)cccc2Cl)C2CC2)C1 ZINC000668324109 1031489161 /nfs/dbraw/zinc/48/91/61/1031489161.db2.gz NRUTXSKGNWDJTI-UHFFFAOYSA-N -1 0 342.222 3.595 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N(Cc1c(Cl)cccc1Cl)C1CC1 ZINC000668323912 1031489322 /nfs/dbraw/zinc/48/93/22/1031489322.db2.gz GKTCUQWSVYRQPG-SNVBAGLBSA-N -1 0 344.238 3.985 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)nn2C)c1 ZINC000477370345 1031500801 /nfs/dbraw/zinc/50/08/01/1031500801.db2.gz BNABFFZBYCGOMS-UHFFFAOYSA-N -1 0 347.484 3.831 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2C(=O)N=c2[n-]nc(C3CC3)s2)cc1 ZINC000584046635 1031566460 /nfs/dbraw/zinc/56/64/60/1031566460.db2.gz YGNHIAFNZNUNNQ-HNNXBMFYSA-N -1 0 342.468 3.905 20 0 EHADRM O=C([O-])C[C@H]1CSCCN1Cc1nc(C2CCCCC2)cs1 ZINC000565100811 1031580876 /nfs/dbraw/zinc/58/08/76/1031580876.db2.gz FDZKDHROOQPPPC-ZDUSSCGKSA-N -1 0 340.514 3.583 20 0 EHADRM Cc1onc(-c2ccccn2)c1C(=O)Nc1cccc(Cl)c1[O-] ZINC000177903218 1031593611 /nfs/dbraw/zinc/59/36/11/1031593611.db2.gz MBSDEXNPESVIHF-UHFFFAOYSA-N -1 0 329.743 3.656 20 0 EHADRM CCCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000392169007 1031622874 /nfs/dbraw/zinc/62/28/74/1031622874.db2.gz ZEPLSRIALYKNED-UHFFFAOYSA-N -1 0 347.436 3.755 20 0 EHADRM CSC[C@@H](NCc1ccc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC000904040574 1031657866 /nfs/dbraw/zinc/65/78/66/1031657866.db2.gz QSBBNHWHVHDHQB-CYBMUJFWSA-N -1 0 325.817 3.506 20 0 EHADRM COCc1ccccc1S(=O)(=O)[N-]c1cc(C(C)(C)C)ccc1O ZINC000484541255 1031702635 /nfs/dbraw/zinc/70/26/35/1031702635.db2.gz JKGOVCHQVNCAPC-UHFFFAOYSA-N -1 0 349.452 3.637 20 0 EHADRM CC[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1ccc(F)cc1F ZINC000180043671 1031834361 /nfs/dbraw/zinc/83/43/61/1031834361.db2.gz MNAAQYPYLMBPKO-LBPRGKRZSA-N -1 0 345.267 3.969 20 0 EHADRM Cc1ccc(NC(=O)C(C)C)cc1N[C@@H]1C[C@H](NC(=O)[O-])C12CCC2 ZINC000904194725 1031842436 /nfs/dbraw/zinc/84/24/36/1031842436.db2.gz DNQLLPOJGBTJOO-CVEARBPZSA-N -1 0 345.443 3.580 20 0 EHADRM Cc1cc(NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)ccc1F ZINC000904198742 1031846353 /nfs/dbraw/zinc/84/63/53/1031846353.db2.gz KHFGNHQHQJBQIG-UHFFFAOYSA-N -1 0 332.375 3.640 20 0 EHADRM Cc1nc(-c2ccc(N[C@H]3C[C@H](NC(=O)[O-])C34CCC4)cc2)oc1C ZINC000904201014 1031848322 /nfs/dbraw/zinc/84/83/22/1031848322.db2.gz YNZXJXZFYAJFFR-HOTGVXAUSA-N -1 0 341.411 3.949 20 0 EHADRM O=C([O-])N[C@@H]1C[C@H](Nc2ccc(Cl)c(OC(F)F)c2)C12CCC2 ZINC000904231503 1031869667 /nfs/dbraw/zinc/86/96/67/1031869667.db2.gz UKOMNHCHFOMJQY-NWDGAFQWSA-N -1 0 346.761 3.932 20 0 EHADRM O=C([O-])N[C@@H]1C[C@H](Nc2cccc(C3CCOCC3)c2)C12CCC2 ZINC000904252523 1031875671 /nfs/dbraw/zinc/87/56/71/1031875671.db2.gz BRZAWKKZYAFJAE-DLBZAZTESA-N -1 0 330.428 3.571 20 0 EHADRM Cc1sc2ccc(Cl)cc2c1S(=O)(=O)[N-]c1ccon1 ZINC000181067435 1031943775 /nfs/dbraw/zinc/94/37/75/1031943775.db2.gz KDSFSVIJTLFKPD-UHFFFAOYSA-N -1 0 328.802 3.652 20 0 EHADRM COc1ccc([C@H](N=c2nc(C3CCCC3)[n-]s2)C2CC2)cn1 ZINC000528283000 1032005105 /nfs/dbraw/zinc/00/51/05/1032005105.db2.gz ALXDHFAPVAMTIQ-OAHLLOKOSA-N -1 0 330.457 3.584 20 0 EHADRM CC1(C(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)CCCCC1 ZINC000158749555 1033296640 /nfs/dbraw/zinc/29/66/40/1033296640.db2.gz TVEJDWDETVUPHL-UHFFFAOYSA-N -1 0 331.437 3.615 20 0 EHADRM CCCC[C@H](NC(=O)Nc1ccc(CC(F)(F)F)cc1)C(=O)[O-] ZINC000574663989 1033318334 /nfs/dbraw/zinc/31/83/34/1033318334.db2.gz JWELRRNTDHQCFE-LBPRGKRZSA-N -1 0 332.322 3.556 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2O)cc(C)c1F ZINC000607881470 1033362086 /nfs/dbraw/zinc/36/20/86/1033362086.db2.gz FOYSEEIQUMSMKI-UHFFFAOYSA-N -1 0 329.780 3.602 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c(C)c1 ZINC000105591118 1033484210 /nfs/dbraw/zinc/48/42/10/1033484210.db2.gz OSMJMZSEQLDVCY-UHFFFAOYSA-N -1 0 345.342 3.612 20 0 EHADRM COc1ccc(C)cc1NC(=O)c1ccc(Br)cc1[O-] ZINC000044490362 1033496210 /nfs/dbraw/zinc/49/62/10/1033496210.db2.gz MUQSBIXCGJGCOM-UHFFFAOYSA-N -1 0 336.185 3.724 20 0 EHADRM CCCOc1ccccc1NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000326651216 1033499180 /nfs/dbraw/zinc/49/91/80/1033499180.db2.gz ZTZGPHRTBBDOKF-HXUWFJFHSA-N -1 0 341.407 3.847 20 0 EHADRM CCc1nc(NC(=O)c2ccc(Br)cc2[O-])sc1C ZINC000044491030 1033499303 /nfs/dbraw/zinc/49/93/03/1033499303.db2.gz IXFJYMIVZVYZLZ-UHFFFAOYSA-N -1 0 341.230 3.734 20 0 EHADRM Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)N(C)CC(=O)[O-] ZINC000780531294 1033503901 /nfs/dbraw/zinc/50/39/01/1033503901.db2.gz VVQZBVLPQJKRAI-UHFFFAOYSA-N -1 0 332.787 3.864 20 0 EHADRM C[C@H](NC(=O)NC(C)(C)C(=O)[O-])c1ccccc1Oc1ccccc1 ZINC000780514099 1033530855 /nfs/dbraw/zinc/53/08/55/1033530855.db2.gz BEXKNVAOXYKUPC-ZDUSSCGKSA-N -1 0 342.395 3.702 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N[C@@H](CC2CC2)c2ccccc2)s1 ZINC000608263863 1033558402 /nfs/dbraw/zinc/55/84/02/1033558402.db2.gz OESHOXIZEHAKQZ-HNNXBMFYSA-N -1 0 344.484 3.821 20 0 EHADRM CC(C)C[C@@H](NC(=O)Nc1ccc(COC2CCCC2)cc1)C(=O)[O-] ZINC000574783178 1033560635 /nfs/dbraw/zinc/56/06/35/1033560635.db2.gz BWRXRHDWCDRQJO-QGZVFWFLSA-N -1 0 348.443 3.767 20 0 EHADRM Cc1ccc(Cc2n[n-]c(=NC(=O)N[C@H]3CCCC[C@@H]3C)s2)cc1 ZINC000594942031 1033588591 /nfs/dbraw/zinc/58/85/91/1033588591.db2.gz BBHTUBZVOZWSJZ-ZFWWWQNUSA-N -1 0 344.484 3.559 20 0 EHADRM CC[C@H]1CCCCN1C(=O)N=c1[n-]nc(Cc2ccc(C)cc2)s1 ZINC000594942360 1033588842 /nfs/dbraw/zinc/58/88/42/1033588842.db2.gz RULPZDBNEBVGHG-HNNXBMFYSA-N -1 0 344.484 3.656 20 0 EHADRM CC(C)c1ccc(OC2CCN(C(=O)c3cncc(O)c3)CC2)cc1 ZINC000550589970 1033620429 /nfs/dbraw/zinc/62/04/29/1033620429.db2.gz XWQNRXRVRIWASY-UHFFFAOYSA-N -1 0 340.423 3.594 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000608340527 1033644884 /nfs/dbraw/zinc/64/48/84/1033644884.db2.gz NDEMEYZHKQQRQO-HUUCEWRRSA-N -1 0 347.386 3.753 20 0 EHADRM C[C@H]1CN(C(=O)c2cccc(Br)c2[O-])[C@@H]1c1ccccc1 ZINC000608481931 1033706982 /nfs/dbraw/zinc/70/69/82/1033706982.db2.gz BGMKWRLYBLCMAN-NHYWBVRUSA-N -1 0 346.224 3.988 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(Cl)cc2[O-])cc1N1CCOC1=O ZINC000174049116 1033715896 /nfs/dbraw/zinc/71/58/96/1033715896.db2.gz RTNPHZHWJOOGDW-UHFFFAOYSA-N -1 0 346.770 3.563 20 0 EHADRM CC(C)[C@@H](SCc1ccccc1)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000595247689 1033719195 /nfs/dbraw/zinc/71/91/95/1033719195.db2.gz LVBYXCOXFBJHAL-HYVNUMGLSA-N -1 0 349.496 3.514 20 0 EHADRM COc1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1C(C)(C)C ZINC000460412624 1033754920 /nfs/dbraw/zinc/75/49/20/1033754920.db2.gz PJSOZNJBNSKHHZ-UHFFFAOYSA-N -1 0 337.416 3.933 20 0 EHADRM O=C([O-])/C=C/c1ccccc1NCCc1ccc(Br)cn1 ZINC001168309363 1033867229 /nfs/dbraw/zinc/86/72/29/1033867229.db2.gz FFYNLSBYWGJZBZ-VMPITWQZSA-N -1 0 347.212 3.597 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000448153611 1034019799 /nfs/dbraw/zinc/01/97/99/1034019799.db2.gz GBXBSUTZTYZESB-SFHVURJKSA-N -1 0 340.402 3.578 20 0 EHADRM Cc1ccc2oc(C(=O)N[C@H](CC(=O)[O-])c3cccs3)cc2c1 ZINC000237910725 1034040973 /nfs/dbraw/zinc/04/09/73/1034040973.db2.gz YIBITWRMDVFFEB-GFCCVEGCSA-N -1 0 329.377 3.749 20 0 EHADRM Cc1cc(Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)cnc1F ZINC001212188405 1034092316 /nfs/dbraw/zinc/09/23/16/1034092316.db2.gz HHFXBMHCFNWMAK-UHFFFAOYSA-N -1 0 332.356 3.673 20 0 EHADRM COCCSc1ccc([C@@H](C)N=c2[n-]c(C3CCC3)no2)cc1 ZINC000450316674 1034100162 /nfs/dbraw/zinc/10/01/62/1034100162.db2.gz RLXBNLVUEOKRLT-GFCCVEGCSA-N -1 0 333.457 3.671 20 0 EHADRM CCCOc1c(Cl)cc(/C=C/c2cc(C(=O)[O-])ncn2)cc1OC ZINC000534144498 1034163091 /nfs/dbraw/zinc/16/30/91/1034163091.db2.gz LERONVAXGORGRN-SNAWJCMRSA-N -1 0 348.786 3.796 20 0 EHADRM Cc1cc(C([O-])=CS(=O)(=O)c2ccccc2)c(C)n1CCC(C)C ZINC000302170743 1034184595 /nfs/dbraw/zinc/18/45/95/1034184595.db2.gz JWMVSZAWOQFVTF-UHFFFAOYSA-N -1 0 347.480 3.808 20 0 EHADRM O=C([O-])C1(CNC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)CCCCC1 ZINC000191513162 1034264755 /nfs/dbraw/zinc/26/47/55/1034264755.db2.gz RSNYFFZXNUVXDA-GJZGRUSLSA-N -1 0 335.831 3.595 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]c1cccc(O)c1 ZINC000534237045 1034278211 /nfs/dbraw/zinc/27/82/11/1034278211.db2.gz IUULLNBJOXBHMT-UHFFFAOYSA-N -1 0 337.784 3.901 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCCc2ccccc2CC1 ZINC000456312704 1034314954 /nfs/dbraw/zinc/31/49/54/1034314954.db2.gz MYSXFWWHDDDVPM-UHFFFAOYSA-N -1 0 333.790 3.816 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N2C[C@@H](c3ccccc3)C[C@H]2C)s1 ZINC000604609870 1034435388 /nfs/dbraw/zinc/43/53/88/1034435388.db2.gz OIMHKILWYGXKDV-HIFRSBDPSA-N -1 0 344.484 3.713 20 0 EHADRM C[C@@H](CC(=O)N=c1nc(-c2ccsc2)[n-]s1)c1cccc(F)c1 ZINC000604706509 1034460816 /nfs/dbraw/zinc/46/08/16/1034460816.db2.gz PFJFQWODKJPYOA-JTQLQIEISA-N -1 0 347.440 3.960 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000450529987 1034489200 /nfs/dbraw/zinc/48/92/00/1034489200.db2.gz BIXZOVJOEYCGAM-YJBOKZPZSA-N -1 0 337.419 3.722 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2nc3ccccc3[nH]2)cc1 ZINC000389994453 1034504612 /nfs/dbraw/zinc/50/46/12/1034504612.db2.gz HGNDNDYFXAOJPY-UHFFFAOYSA-N -1 0 329.425 3.661 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)N=c1nc(C(C)(C)C)[n-]s1)C1CC1 ZINC000604800333 1034508372 /nfs/dbraw/zinc/50/83/72/1034508372.db2.gz NOHOISURSRNICR-CQSZACIVSA-N -1 0 344.484 3.839 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)s[n-]1 ZINC000604800629 1034508620 /nfs/dbraw/zinc/50/86/20/1034508620.db2.gz AFIYKVZMENRFHI-ZIAGYGMSSA-N -1 0 344.484 3.715 20 0 EHADRM N=c1[n-]nc(SCCc2c(Cl)cccc2Cl)n1C1CC1 ZINC000450786667 1034786042 /nfs/dbraw/zinc/78/60/42/1034786042.db2.gz DOCGTJLAZMEPHY-UHFFFAOYSA-N -1 0 329.256 3.667 20 0 EHADRM CC(C)c1noc(=NCC2(c3cccc(Br)c3)CC2)[n-]1 ZINC000605694016 1034820610 /nfs/dbraw/zinc/82/06/10/1034820610.db2.gz DQFDGZOGZUSWPH-UHFFFAOYSA-N -1 0 336.233 3.521 20 0 EHADRM COc1ccccc1-c1nc(CN2CC[C@H](C)C[C@H]2C(=O)[O-])cs1 ZINC000584475604 1034836630 /nfs/dbraw/zinc/83/66/30/1034836630.db2.gz QVNYKJQJCQBLPA-WFASDCNBSA-N -1 0 346.452 3.504 20 0 EHADRM CCCOc1ccc(NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])cc1Cl ZINC000601985986 1034849635 /nfs/dbraw/zinc/84/96/35/1034849635.db2.gz NBGKIHRHNBIYCN-UWVGGRQHSA-N -1 0 345.848 3.662 20 0 EHADRM CCCc1ncc(CN=c2[n-]nc(-c3ccccc3Cl)s2)o1 ZINC000450846651 1034858643 /nfs/dbraw/zinc/85/86/43/1034858643.db2.gz MXHSOHLHKKNYFT-UHFFFAOYSA-N -1 0 334.832 3.833 20 0 EHADRM CCCC[C@@H](NC(=O)c1oc2ccccc2c1CSC)C(=O)[O-] ZINC000612429594 1034915526 /nfs/dbraw/zinc/91/55/26/1034915526.db2.gz RVVMDDGMQKPNFJ-CYBMUJFWSA-N -1 0 335.425 3.669 20 0 EHADRM O=c1[n-]nc([C@@H]2CCC[N@@H+](CCc3cc(Cl)ccc3Cl)C2)o1 ZINC000450913174 1034932844 /nfs/dbraw/zinc/93/28/44/1034932844.db2.gz YSUOEVUNBJRITE-LLVKDONJSA-N -1 0 342.226 3.504 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)C[C@@H](OC)c1ccccc1 ZINC000450974339 1034998387 /nfs/dbraw/zinc/99/83/87/1034998387.db2.gz UVXBHZSIYILJDZ-GOSISDBHSA-N -1 0 349.452 3.605 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2sccc2Cl)cnn1CCC(C)C ZINC000451021210 1035017393 /nfs/dbraw/zinc/01/73/93/1035017393.db2.gz BRUBURMFZFEEGI-UHFFFAOYSA-N -1 0 347.893 3.753 20 0 EHADRM Cc1csc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C(C)C)c1 ZINC000451023146 1035019308 /nfs/dbraw/zinc/01/93/08/1035019308.db2.gz DSRYDQGGWJEYNP-UHFFFAOYSA-N -1 0 341.502 3.833 20 0 EHADRM CCn1nc(C)cc1[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000530157467 1035027095 /nfs/dbraw/zinc/02/70/95/1035027095.db2.gz KHAIIVQKMNJICE-UHFFFAOYSA-N -1 0 348.255 3.627 20 0 EHADRM CCN(Cc1ccc(Cl)c(Cl)c1)Cc1cnc(C(=O)[O-])cn1 ZINC000530162480 1035031756 /nfs/dbraw/zinc/03/17/56/1035031756.db2.gz PGOLBYXDAHDNRG-UHFFFAOYSA-N -1 0 340.210 3.504 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000431676286 1035191391 /nfs/dbraw/zinc/19/13/91/1035191391.db2.gz NXTZARMKWHZQOT-UHFFFAOYSA-N -1 0 333.771 3.998 20 0 EHADRM Cc1cscc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000161608886 1035284677 /nfs/dbraw/zinc/28/46/77/1035284677.db2.gz MMVGSYVTZLNQBD-UHFFFAOYSA-N -1 0 332.244 3.620 20 0 EHADRM CCN(C(=O)c1nn(-c2cc(C)ccc2F)cc1[O-])C1CC(C)(C)C1 ZINC000413991447 1035329521 /nfs/dbraw/zinc/32/95/21/1035329521.db2.gz VRIAGDGBTJTNAY-UHFFFAOYSA-N -1 0 345.418 3.676 20 0 EHADRM CCON1CCC(CC(=O)Nc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000613181758 1035439834 /nfs/dbraw/zinc/43/98/34/1035439834.db2.gz BJJLLRVBPIKBOK-UHFFFAOYSA-N -1 0 347.242 3.691 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000431784080 1035482335 /nfs/dbraw/zinc/48/23/35/1035482335.db2.gz JRDZJOBXUUOHHD-LBPRGKRZSA-N -1 0 331.799 3.784 20 0 EHADRM CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1N=c1[n-]nc(C(F)F)s1 ZINC000376234114 1035484637 /nfs/dbraw/zinc/48/46/37/1035484637.db2.gz BEAJNBMDTDXAKW-RWMBFGLXSA-N -1 0 339.411 3.661 20 0 EHADRM C[C@@](CC(=O)NCC1=CCCCC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000414094899 1035485540 /nfs/dbraw/zinc/48/55/40/1035485540.db2.gz PDXVVCJVSYHNGG-SFHVURJKSA-N -1 0 335.831 3.689 20 0 EHADRM CC(C)(C(=O)[N-]OCc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000066469003 1035486863 /nfs/dbraw/zinc/48/68/63/1035486863.db2.gz ZTZZRBXYSSNTEC-UHFFFAOYSA-N -1 0 335.350 3.814 20 0 EHADRM O=C([O-])CC1(CC(=O)NCC[C@@H]2CCc3ccccc32)CCCC1 ZINC000414099627 1035503833 /nfs/dbraw/zinc/50/38/33/1035503833.db2.gz USHCPJPXEZPTIY-INIZCTEOSA-N -1 0 329.440 3.648 20 0 EHADRM COc1ccc([C@H](C)CCNC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000173319851 1035593506 /nfs/dbraw/zinc/59/35/06/1035593506.db2.gz UCPLGAQOHPFCQN-GFCCVEGCSA-N -1 0 333.815 3.978 20 0 EHADRM C[C@@](Cc1ccccc1)(NC(=O)c1cc(F)c([O-])c(F)c1)C1CC1 ZINC000457043182 1035650253 /nfs/dbraw/zinc/65/02/53/1035650253.db2.gz LYNKVCKQZZBPIA-IBGZPJMESA-N -1 0 331.362 3.812 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1ccc(-c2cncnc2)cc1F ZINC000186568266 1035660164 /nfs/dbraw/zinc/66/01/64/1035660164.db2.gz QZWVOYQBXJSZKY-UHFFFAOYSA-N -1 0 343.745 3.894 20 0 EHADRM Cc1cccc(OC(F)F)c1NC(=O)/C=C\c1ccc(C(=O)[O-])cc1 ZINC000492345405 1035670446 /nfs/dbraw/zinc/67/04/46/1035670446.db2.gz CWUAJQSMZZLADY-YFHOEESVSA-N -1 0 347.317 3.947 20 0 EHADRM COc1ccc(CCc2n[n-]c(=NCc3cc(C)sc3C)o2)cc1 ZINC000540793112 1035685731 /nfs/dbraw/zinc/68/57/31/1035685731.db2.gz OZOHYENMPRPJNG-UHFFFAOYSA-N -1 0 343.452 3.576 20 0 EHADRM Cc1ccc(C)c(CN=c2[n-]nc(Cc3ccc(Cl)cc3)o2)c1 ZINC000540791923 1035687233 /nfs/dbraw/zinc/68/72/33/1035687233.db2.gz DYVNMASCQLBRON-UHFFFAOYSA-N -1 0 327.815 3.965 20 0 EHADRM Fc1cccc(F)c1-c1ccc(CN=c2[n-]nc(-c3ccco3)o2)o1 ZINC000540806805 1035700163 /nfs/dbraw/zinc/70/01/63/1035700163.db2.gz HGUNDJBJXLWMDL-UHFFFAOYSA-N -1 0 343.289 3.902 20 0 EHADRM O=C(N[C@@H](c1nccs1)c1ccccc1)c1cc(F)c([O-])c(F)c1 ZINC000186782311 1035702854 /nfs/dbraw/zinc/70/28/54/1035702854.db2.gz ZNFQOKCBHIVUAQ-CQSZACIVSA-N -1 0 346.358 3.646 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1cccc(-c2cnco2)c1 ZINC000186959405 1035752591 /nfs/dbraw/zinc/75/25/91/1035752591.db2.gz MPGONGLVEJKQCE-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM CC(C)c1cnc([N-]S(=O)(=O)c2cccc3ncccc32)s1 ZINC000174013584 1035834148 /nfs/dbraw/zinc/83/41/48/1035834148.db2.gz FAUTTXIHKJPELP-UHFFFAOYSA-N -1 0 333.438 3.616 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)C1(C)C ZINC000045099939 1035845495 /nfs/dbraw/zinc/84/54/95/1035845495.db2.gz MGOTWILCDAEULF-HUUCEWRRSA-N -1 0 339.432 3.850 20 0 EHADRM O=C(/C=C/c1cnccn1)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000492522171 1035943578 /nfs/dbraw/zinc/94/35/78/1035943578.db2.gz ODWGEHYBXSHYHR-OWOJBTEDSA-N -1 0 344.585 3.794 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc(C(F)(F)F)cc2Cl)CCC1 ZINC000319673604 1036015514 /nfs/dbraw/zinc/01/55/14/1036015514.db2.gz NAUHIIHSUDNGJP-UHFFFAOYSA-N -1 0 335.709 3.942 20 0 EHADRM CC[C@@H](CNC(=O)CC1(CC(=O)[O-])CCCCC1)CC(F)(F)F ZINC000402504344 1036030113 /nfs/dbraw/zinc/03/01/13/1036030113.db2.gz AGTSAWMJPXDFSM-GFCCVEGCSA-N -1 0 337.382 3.897 20 0 EHADRM CN(C(=O)Nc1cccc(-c2nccs2)c1)C1(C(=O)[O-])CCCC1 ZINC000572226023 1036048357 /nfs/dbraw/zinc/04/83/57/1036048357.db2.gz MTTYARIGLXFAKD-UHFFFAOYSA-N -1 0 345.424 3.671 20 0 EHADRM CCc1cc2c(CNc3ccc(OC)c(F)c3)cc(=O)oc2cc1O ZINC000056173007 1036095607 /nfs/dbraw/zinc/09/56/07/1036095607.db2.gz IHRBPYOJFIIQID-UHFFFAOYSA-N -1 0 343.354 3.821 20 0 EHADRM CCn1cc(-c2cc(F)ccc2OC[C@H]2CCCCO2)cc1C(=O)[O-] ZINC000572498022 1036117038 /nfs/dbraw/zinc/11/70/38/1036117038.db2.gz GPNSRNDUSIPMMN-OAHLLOKOSA-N -1 0 347.386 3.960 20 0 EHADRM Cc1cc(C(=O)N2CCCC[C@H]2C(=O)[O-])sc1-c1ccccc1 ZINC000572494594 1036117836 /nfs/dbraw/zinc/11/78/36/1036117836.db2.gz ZONYEKQLRPAURC-AWEZNQCLSA-N -1 0 329.421 3.803 20 0 EHADRM CC(C)c1cnc([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)s1 ZINC000178186923 1036119615 /nfs/dbraw/zinc/11/96/15/1036119615.db2.gz OOVYKTZAEDFQNQ-BQYQJAHWSA-N -1 0 326.418 3.818 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)cc1 ZINC000174972061 1036187235 /nfs/dbraw/zinc/18/72/35/1036187235.db2.gz PNHTUCRUDPHRTD-UHFFFAOYSA-N -1 0 344.392 3.541 20 0 EHADRM CC[C@@H](CC(F)F)C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000457554037 1036250567 /nfs/dbraw/zinc/25/05/67/1036250567.db2.gz JDIPGJGEOKTSLN-QMMMGPOBSA-N -1 0 345.802 3.900 20 0 EHADRM Cc1ccc(C)c2sc([N-]S(=O)(=O)c3ccccc3F)nc21 ZINC000589266634 1036330890 /nfs/dbraw/zinc/33/08/90/1036330890.db2.gz NWMKRMBKGWIYEK-UHFFFAOYSA-N -1 0 336.413 3.853 20 0 EHADRM CC(C)C[C@H](C)n1nccc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000589269888 1036335913 /nfs/dbraw/zinc/33/59/13/1036335913.db2.gz KDVAQABFDIQEDO-NSHDSACASA-N -1 0 343.399 3.569 20 0 EHADRM Cc1ccc2c(ccc(C)c2C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])c1 ZINC000909669180 1036338315 /nfs/dbraw/zinc/33/83/15/1036338315.db2.gz POLXOPNPEQMRAV-CYBMUJFWSA-N -1 0 339.313 3.592 20 0 EHADRM CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000589437410 1036414817 /nfs/dbraw/zinc/41/48/17/1036414817.db2.gz LLMCRCCYALEKIA-UHFFFAOYSA-N -1 0 349.427 3.902 20 0 EHADRM CCCCOc1ccccc1[N-]S(=O)(=O)c1cccc(COC)c1 ZINC000589433574 1036427362 /nfs/dbraw/zinc/42/73/62/1036427362.db2.gz GCASKTFTFNZRNQ-UHFFFAOYSA-N -1 0 349.452 3.813 20 0 EHADRM COc1ccc([C@H](C)N=c2[n-]nc(Cc3ccc(F)cc3)s2)cc1 ZINC000541578938 1036451347 /nfs/dbraw/zinc/45/13/47/1036451347.db2.gz XTCMVBCDUPEWAF-LBPRGKRZSA-N -1 0 343.427 3.872 20 0 EHADRM O=C([O-])C1CCC(C(=O)NCc2ccc(Cl)c(Cl)c2)CC1 ZINC000659198573 1036518141 /nfs/dbraw/zinc/51/81/41/1036518141.db2.gz LLIDQBQIQOAEIW-UHFFFAOYSA-N -1 0 330.211 3.501 20 0 EHADRM Cc1cc(C(F)(F)F)ncc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000685902455 1036521609 /nfs/dbraw/zinc/52/16/09/1036521609.db2.gz SEQBDXRCLXEUBC-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cc(F)c(F)c([O-])c1F ZINC000541640064 1036532408 /nfs/dbraw/zinc/53/24/08/1036532408.db2.gz ZWHKABGPHAUIKV-HBNTYKKESA-N -1 0 327.346 3.898 20 0 EHADRM CCOC(=O)c1ccc(NC(=O)c2cc3cc(F)ccc3o2)c(O)c1 ZINC000535543578 1036620882 /nfs/dbraw/zinc/62/08/82/1036620882.db2.gz QKVXWRVLSQRBGB-UHFFFAOYSA-N -1 0 343.310 3.707 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000263218492 1036648662 /nfs/dbraw/zinc/64/86/62/1036648662.db2.gz OOFCVQPXTYQUFI-MWLCHTKSSA-N -1 0 335.400 3.674 20 0 EHADRM O=C(N=c1nc(-c2ccccc2Cl)[n-]s1)NC1CCCCC1 ZINC000541796770 1036654362 /nfs/dbraw/zinc/65/43/62/1036654362.db2.gz JYELEDVNIMCUAG-UHFFFAOYSA-N -1 0 336.848 3.735 20 0 EHADRM FC(F)(F)c1n[n-]c(=NCc2c(Cl)oc3ccccc32)s1 ZINC000541825319 1036680029 /nfs/dbraw/zinc/68/00/29/1036680029.db2.gz SOUPFPQSFARHHV-UHFFFAOYSA-N -1 0 333.722 3.991 20 0 EHADRM Cc1ccccc1-n1nccc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000186358976 1036711835 /nfs/dbraw/zinc/71/18/35/1036711835.db2.gz FWFFWZSXDIBZRA-UHFFFAOYSA-N -1 0 347.296 3.556 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(c2ccnc3cc(Br)ccc32)C1 ZINC000263281313 1036746122 /nfs/dbraw/zinc/74/61/22/1036746122.db2.gz XHMSWFHGJRMKQJ-QWRGUYRKSA-N -1 0 349.228 3.544 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000263348984 1036798632 /nfs/dbraw/zinc/79/86/32/1036798632.db2.gz OWFSBJQGZZLUMF-KRWDZBQOSA-N -1 0 343.810 3.944 20 0 EHADRM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000263362399 1036819989 /nfs/dbraw/zinc/81/99/89/1036819989.db2.gz YTYFHOSGZUBCJX-OLMNPRSZSA-N -1 0 329.440 3.877 20 0 EHADRM CC[C@@H](C)CN(CC)C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263375689 1036822423 /nfs/dbraw/zinc/82/24/23/1036822423.db2.gz BUAJLJVLWCGCPN-WBVHZDCISA-N -1 0 334.460 3.540 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@@H](C)c2ccsc2)n1 ZINC000669918972 1036823324 /nfs/dbraw/zinc/82/33/24/1036823324.db2.gz PBCIQUPSPQRYGN-NSHDSACASA-N -1 0 345.399 3.578 20 0 EHADRM CC[C@H](C)CN(CC)C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263375679 1036823930 /nfs/dbraw/zinc/82/39/30/1036823930.db2.gz BUAJLJVLWCGCPN-DOTOQJQBSA-N -1 0 334.460 3.540 20 0 EHADRM CCCCCN(Cc1ccc(Cl)cc1)C(=O)NCCC(=O)[O-] ZINC000263383343 1036841397 /nfs/dbraw/zinc/84/13/97/1036841397.db2.gz PFIXATVNDUUPSE-UHFFFAOYSA-N -1 0 326.824 3.517 20 0 EHADRM Cc1nc(S(=O)(=O)[N-]c2ccccc2SC2CCCC2)c[nH]1 ZINC000315769489 1036842058 /nfs/dbraw/zinc/84/20/58/1036842058.db2.gz JNWCZVUTZMDNIZ-UHFFFAOYSA-N -1 0 337.470 3.554 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](C)[C@H](C)C(=O)[O-])c(Sc2ccccc2)c1 ZINC000263413405 1036880163 /nfs/dbraw/zinc/88/01/63/1036880163.db2.gz HJXXXGVMZKPPHR-KBPBESRZSA-N -1 0 343.448 3.985 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)C1CCCCC1 ZINC000539607853 1036968948 /nfs/dbraw/zinc/96/89/48/1036968948.db2.gz AVGBESUNZGRYOX-CQSZACIVSA-N -1 0 343.345 3.859 20 0 EHADRM CC(C)(C)n1cc(CN=c2[n-]nc(CC3CCCCC3)s2)cn1 ZINC000539606718 1036970311 /nfs/dbraw/zinc/97/03/11/1036970311.db2.gz MOTHXEGRYBNVLG-UHFFFAOYSA-N -1 0 333.505 3.646 20 0 EHADRM Cc1cc(CN=c2[n-]nc(CCCc3cccs3)o2)ccc1F ZINC000539609505 1036972954 /nfs/dbraw/zinc/97/29/54/1036972954.db2.gz IMOGSLFPQFECKL-UHFFFAOYSA-N -1 0 331.416 3.788 20 0 EHADRM CCC(=CC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl)CC ZINC000151532211 1036994161 /nfs/dbraw/zinc/99/41/61/1036994161.db2.gz TVQWVCUNNKYCCN-UHFFFAOYSA-N -1 0 336.240 3.545 20 0 EHADRM C[C@H]1C[C@@H](CC(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)CC(C)(C)C1 ZINC000590961045 1037142391 /nfs/dbraw/zinc/14/23/91/1037142391.db2.gz OCFMQZOOAXDMOJ-STQMWFEESA-N -1 0 343.427 3.821 20 0 EHADRM COCCN(CC(=O)[O-])Cc1ccc(-c2cc(C)cc(C)c2)cc1 ZINC000666579001 1037233145 /nfs/dbraw/zinc/23/31/45/1037233145.db2.gz UNBYDSWEQKFTMP-UHFFFAOYSA-N -1 0 327.424 3.503 20 0 EHADRM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000312554401 1037308045 /nfs/dbraw/zinc/30/80/45/1037308045.db2.gz MJBFXVLTJQTPDZ-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000003566283 1037346036 /nfs/dbraw/zinc/34/60/36/1037346036.db2.gz FUUHKOWHVLGUSU-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CC(C)C[C@H](C(=O)N[C@@H](C)CCC(=O)[O-])c1ccc(Cl)cc1 ZINC000659142445 1037363475 /nfs/dbraw/zinc/36/34/75/1037363475.db2.gz SKMJELGHMHVQGQ-WFASDCNBSA-N -1 0 325.836 3.839 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@@H]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000659143123 1037364088 /nfs/dbraw/zinc/36/40/88/1037364088.db2.gz NJFMKAFSEXMSBX-PKOBYXMFSA-N -1 0 337.419 3.911 20 0 EHADRM CC(C)(C)c1csc(CCN=c2[n-]c(-c3ccccc3)no2)n1 ZINC000591371786 1037373428 /nfs/dbraw/zinc/37/34/28/1037373428.db2.gz VNCJEBRNTVVGNO-UHFFFAOYSA-N -1 0 328.441 3.567 20 0 EHADRM CC(C)(C)n1cnc(=NC(=O)N[C@@H](c2ccccc2)C2CCCC2)[n-]1 ZINC000542438374 1037379483 /nfs/dbraw/zinc/37/94/83/1037379483.db2.gz PCOKATFGQQALDQ-INIZCTEOSA-N -1 0 341.459 3.508 20 0 EHADRM CC[C@@](CNC(=O)C1CCC2(CC2)CC1)(C(=O)[O-])c1ccccc1 ZINC000659158613 1037379889 /nfs/dbraw/zinc/37/98/89/1037379889.db2.gz HDKANNQCPWZEPE-FQEVSTJZSA-N -1 0 329.440 3.506 20 0 EHADRM C[C@H](Cc1ccco1)C(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1 ZINC000659158855 1037381173 /nfs/dbraw/zinc/38/11/73/1037381173.db2.gz PCRBVLAHEZABQO-GDBMZVCRSA-N -1 0 335.444 3.778 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@]2(c3ccccc3)CC2(C)C)C1 ZINC000659146813 1037381803 /nfs/dbraw/zinc/38/18/03/1037381803.db2.gz WZGGXQBJVPFGAH-IERDGZPVSA-N -1 0 343.467 3.704 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)C1CCC2(CC2)CC1)c1cccc(F)c1 ZINC000659153908 1037386866 /nfs/dbraw/zinc/38/68/66/1037386866.db2.gz XPYKMAYGRMKQKR-SFHVURJKSA-N -1 0 333.403 3.602 20 0 EHADRM Cc1cccc(C)c1[C@H]1CCCN1C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000659168298 1037409751 /nfs/dbraw/zinc/40/97/51/1037409751.db2.gz VEVDJSBURFDQGA-GOSISDBHSA-N -1 0 337.419 3.908 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000237330833 1037441479 /nfs/dbraw/zinc/44/14/79/1037441479.db2.gz DLTHLWVWAOWCRH-NSHDSACASA-N -1 0 341.860 3.921 20 0 EHADRM CC(C)(CCCc1ccccc1)C(=O)NCc1ccoc1C(=O)[O-] ZINC000659200244 1037474351 /nfs/dbraw/zinc/47/43/51/1037474351.db2.gz GPVACFINZRYHDV-UHFFFAOYSA-N -1 0 329.396 3.643 20 0 EHADRM CC[C@@H](CC(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1)c1ccc(C)cc1 ZINC000659203138 1037476807 /nfs/dbraw/zinc/47/68/07/1037476807.db2.gz CDHLVCQFAJYQQI-AWEZNQCLSA-N -1 0 343.427 3.534 20 0 EHADRM COc1ccc(C(=O)[N-]S(=O)(=O)C2CCCCC2)c2ccccc12 ZINC000058077602 1037484926 /nfs/dbraw/zinc/48/49/26/1037484926.db2.gz YJTPDYDFDNBDAA-UHFFFAOYSA-N -1 0 347.436 3.816 20 0 EHADRM C[C@H](CC(=O)N[C@](C)(CCF)C(=O)[O-])c1ccccc1C(F)(F)F ZINC000659217415 1037498315 /nfs/dbraw/zinc/49/83/15/1037498315.db2.gz ZZIJPDGLEZWSCG-MEBBXXQBSA-N -1 0 349.324 3.518 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N(C)[C@H](C)CC(=O)[O-])c(F)c2)cc1 ZINC000659218140 1037507368 /nfs/dbraw/zinc/50/73/68/1037507368.db2.gz ZUJGAAMQKQBGSN-CYBMUJFWSA-N -1 0 329.371 3.736 20 0 EHADRM CC(C)(C)c1nnc(CN=c2nc(C3CCCCC3)[n-]s2)s1 ZINC000580180396 1037527665 /nfs/dbraw/zinc/52/76/65/1037527665.db2.gz WONCWKCVOWKFBU-UHFFFAOYSA-N -1 0 337.518 3.769 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000659234578 1037548483 /nfs/dbraw/zinc/54/84/83/1037548483.db2.gz AKMHXWFBRKVQHN-WKRCXCSHSA-N -1 0 337.419 3.703 20 0 EHADRM C[C@H](CC(=O)N[C@@H]1CCC[C@@]1(C)C(=O)[O-])Cc1ccc(Cl)cc1 ZINC000659239454 1037563726 /nfs/dbraw/zinc/56/37/26/1037563726.db2.gz LRMHEQILMWWYDF-WBHUJUFNSA-N -1 0 337.847 3.668 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000659242062 1037564604 /nfs/dbraw/zinc/56/46/04/1037564604.db2.gz ZNXRIYWEUPHWLT-BBRMVZONSA-N -1 0 343.345 3.555 20 0 EHADRM CC(C)[C@H](Sc1ccccc1)C(=O)N[C@@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000659238049 1037566787 /nfs/dbraw/zinc/56/67/87/1037566787.db2.gz MEDCBKVRXNFZLM-RVKKMQEKSA-N -1 0 335.469 3.563 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)N[C@H]1CCC[C@]1(C)C(=O)[O-] ZINC000659241832 1037568019 /nfs/dbraw/zinc/56/80/19/1037568019.db2.gz XYQRAVZHUAINEW-BBRMVZONSA-N -1 0 341.860 3.825 20 0 EHADRM CC(C)c1ccc(-c2noc(CN3CC[C@H](C)C[C@H]3C(=O)[O-])n2)cc1 ZINC000573499383 1037589656 /nfs/dbraw/zinc/58/96/56/1037589656.db2.gz JJOXBPNNTQKDCN-BBRMVZONSA-N -1 0 343.427 3.545 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCC(c2cccc(F)c2F)CC1 ZINC000573622715 1037664843 /nfs/dbraw/zinc/66/48/43/1037664843.db2.gz SBSWWCKNWIOLQO-UHFFFAOYSA-N -1 0 335.325 3.829 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)nc2)c2ccccc12 ZINC000152799335 1037708621 /nfs/dbraw/zinc/70/86/21/1037708621.db2.gz ZNFFAGFOCCCIHG-UHFFFAOYSA-N -1 0 346.383 3.573 20 0 EHADRM O=S(=O)([N-]c1ccc(F)nc1)c1ccc(Cl)c2ccccc21 ZINC000152792229 1037718599 /nfs/dbraw/zinc/71/85/99/1037718599.db2.gz PQIKCUPXSVSVFO-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM CCC[C@](C)(NC(=O)Nc1ccc(COC2CCCC2)cc1)C(=O)[O-] ZINC000573830376 1037763020 /nfs/dbraw/zinc/76/30/20/1037763020.db2.gz FDKZLEDPHWYYFB-IBGZPJMESA-N -1 0 348.443 3.911 20 0 EHADRM COCc1ccc(S(=O)(=O)[N-]c2ccccc2OC(C)(C)C)cc1 ZINC000540289762 1037784942 /nfs/dbraw/zinc/78/49/42/1037784942.db2.gz RIEOSYIABIDJMD-UHFFFAOYSA-N -1 0 349.452 3.811 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N(C)C/C(C)=C\c2ccccc2)s1 ZINC000494195696 1037907697 /nfs/dbraw/zinc/90/76/97/1037907697.db2.gz QTTNTISKBUGYMH-BENRWUELSA-N -1 0 348.497 3.639 20 0 EHADRM CCCOc1cccc(CN=c2[n-]nc(-c3ccc(OC)cc3)o2)c1 ZINC000463247014 1037933095 /nfs/dbraw/zinc/93/30/95/1037933095.db2.gz LZMNUUJBHPJDPW-UHFFFAOYSA-N -1 0 339.395 3.568 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cccc(C)c2Cl)cc1 ZINC000540467042 1037967378 /nfs/dbraw/zinc/96/73/78/1037967378.db2.gz YBNTUOXSCBCWKR-UHFFFAOYSA-N -1 0 325.817 3.848 20 0 EHADRM CSc1ccc(C)c(NC(=O)N=c2[n-]nc(-c3ccco3)s2)c1 ZINC000540539114 1038067852 /nfs/dbraw/zinc/06/78/52/1038067852.db2.gz XYESPPFVKYZJPV-UHFFFAOYSA-N -1 0 346.437 3.894 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2nccc(-c3ccccc3)n2)c1 ZINC000463371969 1038091888 /nfs/dbraw/zinc/09/18/88/1038091888.db2.gz WSEDCFJSCMDKJD-UHFFFAOYSA-N -1 0 339.420 3.561 20 0 EHADRM C[C@]([N-]S(=O)(=O)c1ccccc1F)(c1ccccc1)C(F)(F)F ZINC000463377732 1038098091 /nfs/dbraw/zinc/09/80/91/1038098091.db2.gz WOESXWJSGWJHIE-AWEZNQCLSA-N -1 0 347.333 3.582 20 0 EHADRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)Nc3cccc(F)c3C)n2)c1 ZINC000540587354 1038099832 /nfs/dbraw/zinc/09/98/32/1038099832.db2.gz BQSLUNIXPTVVHU-UHFFFAOYSA-N -1 0 343.333 3.725 20 0 EHADRM O=C([O-])c1occc1CNC(=O)Cc1ccc(C2CCCCC2)cc1 ZINC000659201727 1038110552 /nfs/dbraw/zinc/11/05/52/1038110552.db2.gz ROSXKJWXWOAZQT-UHFFFAOYSA-N -1 0 341.407 3.884 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2cccc(C3CCC3)c2)cc1C(=O)[O-] ZINC000461338821 1038353466 /nfs/dbraw/zinc/35/34/66/1038353466.db2.gz BVABNDRJABDRQW-UHFFFAOYSA-N -1 0 345.420 3.762 20 0 EHADRM Fc1ccc(Cc2n[n-]c(=NCc3cccc4ccccc43)o2)cc1 ZINC000538592253 1038421338 /nfs/dbraw/zinc/42/13/38/1038421338.db2.gz SNBOKDGOGSPWEE-UHFFFAOYSA-N -1 0 333.366 3.987 20 0 EHADRM CCCOc1ccc(CN=c2[n-]nc(C(C)C)s2)cc1OCC ZINC000538608883 1038435386 /nfs/dbraw/zinc/43/53/86/1038435386.db2.gz HYMADJVDSAEICO-UHFFFAOYSA-N -1 0 335.473 3.883 20 0 EHADRM C[C@@]1(NC(=O)CCCc2ccc(Cl)cc2)CCCC[C@H]1C(=O)[O-] ZINC000431865076 1038563009 /nfs/dbraw/zinc/56/30/09/1038563009.db2.gz ZVHJNHRSWVMYEU-MAUKXSAKSA-N -1 0 337.847 3.812 20 0 EHADRM CC[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2c(C)cccc2Cl)CC1 ZINC000783126556 1038668743 /nfs/dbraw/zinc/66/87/43/1038668743.db2.gz XZIWCBVPURQZPN-JOCQHMNTSA-N -1 0 343.876 3.670 20 0 EHADRM c1c(CN=c2nc(-c3ccccc3)[n-]s2)onc1-c1ccccc1 ZINC000539186493 1038723137 /nfs/dbraw/zinc/72/31/37/1038723137.db2.gz HYVCRDRAORAALY-UHFFFAOYSA-N -1 0 334.404 3.894 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)N[C@H](c3ccccc3)C(C)C)cc2=O)cc1 ZINC000462042680 1038728913 /nfs/dbraw/zinc/72/89/13/1038728913.db2.gz YNNZAEPRQOXMJV-FQEVSTJZSA-N -1 0 349.434 3.601 20 0 EHADRM CC(C)(C(=O)NCC1(C(=O)[O-])CCCCC1)c1cccc(Cl)c1 ZINC000431884229 1038738168 /nfs/dbraw/zinc/73/81/68/1038738168.db2.gz PIDHSSCOPMSMJX-UHFFFAOYSA-N -1 0 337.847 3.769 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N2CCSC(C)(C)CC2)s1 ZINC000408398073 1038783112 /nfs/dbraw/zinc/78/31/12/1038783112.db2.gz VRMCWIMMGYXICH-UHFFFAOYSA-N -1 0 342.534 3.613 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000910254011 1038789584 /nfs/dbraw/zinc/78/95/84/1038789584.db2.gz FPOYDXOOHOWTMZ-IEBWSBKVSA-N -1 0 337.419 3.770 20 0 EHADRM O=C([O-])c1cccc(C=C(Cc2ccccc2)c2nccc(=O)[nH]2)c1 ZINC000432697620 1038807281 /nfs/dbraw/zinc/80/72/81/1038807281.db2.gz SAGWRNCOHCAVIP-GHRIWEEISA-N -1 0 332.359 3.664 20 0 EHADRM Cc1sc([C@@H]2CCCN2c2cc(C(C)(C)C)ncn2)nc1C(=O)[O-] ZINC000910315221 1038823956 /nfs/dbraw/zinc/82/39/56/1038823956.db2.gz NBKFQDGILNQHSK-NSHDSACASA-N -1 0 346.456 3.579 20 0 EHADRM COc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000485251837 1038832677 /nfs/dbraw/zinc/83/26/77/1038832677.db2.gz DDRWRVIXBBWYBO-UHFFFAOYSA-N -1 0 349.305 3.654 20 0 EHADRM Cc1nc(N2CCCC[C@H]2c2cc3ccccc3[nH]2)ncc1C(=O)[O-] ZINC000910358858 1038854103 /nfs/dbraw/zinc/85/41/03/1038854103.db2.gz WUFKCKFEAIHCNY-KRWDZBQOSA-N -1 0 336.395 3.696 20 0 EHADRM CC[C@H]1C[C@H](C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)CCO1 ZINC000910359547 1038856059 /nfs/dbraw/zinc/85/60/59/1038856059.db2.gz CYDBPCFOOREYJH-HIFRSBDPSA-N -1 0 327.380 3.682 20 0 EHADRM Cc1oc(C)c(C(=O)N[C@H](CC(=O)[O-])c2ccccc2Cl)c1C ZINC000910401204 1038882318 /nfs/dbraw/zinc/88/23/18/1038882318.db2.gz KNWHMMJWKUNDHU-CQSZACIVSA-N -1 0 335.787 3.804 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CCCSC[C@H]1c1ccccc1 ZINC000910513495 1038940015 /nfs/dbraw/zinc/94/00/15/1038940015.db2.gz PKJQHHFSVFNCFS-AWEZNQCLSA-N -1 0 345.420 3.607 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC000910496427 1038945923 /nfs/dbraw/zinc/94/59/23/1038945923.db2.gz DZOGUSIVUWNOFM-OAHLLOKOSA-N -1 0 337.419 3.772 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N(CC(F)F)C1CCC1)C(=O)[O-] ZINC000910622192 1038990875 /nfs/dbraw/zinc/99/08/75/1038990875.db2.gz ZEWQLVMJUWZWDY-JTQLQIEISA-N -1 0 343.395 3.512 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]c1cncc(F)c1 ZINC000500565375 1038996301 /nfs/dbraw/zinc/99/63/01/1038996301.db2.gz HRSVMKRUSMQFTO-UHFFFAOYSA-N -1 0 340.763 3.730 20 0 EHADRM O=C([O-])C12CCC(C(=O)Nc3ccc(-c4ccccc4)cn3)(CC1)C2 ZINC000910632789 1038997988 /nfs/dbraw/zinc/99/79/88/1038997988.db2.gz WMAQYJDTCNCTSF-UHFFFAOYSA-N -1 0 336.391 3.722 20 0 EHADRM Cc1cn(C2CCCCC2)nc1NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000910648706 1039002777 /nfs/dbraw/zinc/00/27/77/1039002777.db2.gz XNOYDLMCXWHRKZ-UHFFFAOYSA-N -1 0 341.411 3.576 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)Nc2nc(CCC(=O)[O-])cs2)c1 ZINC000910648525 1039003779 /nfs/dbraw/zinc/00/37/79/1039003779.db2.gz LPKLIRVBDDBTTQ-UHFFFAOYSA-N -1 0 348.424 3.590 20 0 EHADRM CCN(C(=O)N=c1[n-]nc(-c2ccsc2)s1)C1CC(C)(C)C1 ZINC000416776099 1039014725 /nfs/dbraw/zinc/01/47/25/1039014725.db2.gz WNHSUWZDQAPXEH-UHFFFAOYSA-N -1 0 336.486 3.731 20 0 EHADRM CCCc1cc(C(=O)Nc2ncc(CC(=O)[O-])s2)ccc1Cl ZINC000910674531 1039015756 /nfs/dbraw/zinc/01/57/56/1039015756.db2.gz JCOFZCYRUHLVHO-UHFFFAOYSA-N -1 0 338.816 3.628 20 0 EHADRM O=C(Nc1ccc(Cl)cc1F)c1nc[n-]c1C(=O)c1ccccc1 ZINC000485394159 1039024074 /nfs/dbraw/zinc/02/40/74/1039024074.db2.gz FSNSKGPKTWGOIP-UHFFFAOYSA-N -1 0 343.745 3.686 20 0 EHADRM CC(C)c1sc(NC(=O)[C@@H]2CSc3ccccc32)nc1C(=O)[O-] ZINC000910695797 1039025105 /nfs/dbraw/zinc/02/51/05/1039025105.db2.gz CGMKZMKEDIFDMV-SNVBAGLBSA-N -1 0 348.449 3.793 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)/C=C/c2cccs2)nc1C(=O)[O-] ZINC000910721741 1039030661 /nfs/dbraw/zinc/03/06/61/1039030661.db2.gz PMIBFJHJDAFCJO-NNNHXZLVSA-N -1 0 348.449 3.588 20 0 EHADRM Cc1ccccc1-n1nccc1/C=C/c1ncc(C(=O)[O-])c(C(C)C)n1 ZINC000480025259 1039049969 /nfs/dbraw/zinc/04/99/69/1039049969.db2.gz WDKSKLWJPLYTEE-CMDGGOBGSA-N -1 0 348.406 3.963 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2C2CCCC2)nc1C(=O)[O-] ZINC000910716654 1039054777 /nfs/dbraw/zinc/05/47/77/1039054777.db2.gz AIZSLYYUEHZDPJ-MJBXVCDLSA-N -1 0 348.468 3.640 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)cc1 ZINC000910744740 1039075115 /nfs/dbraw/zinc/07/51/15/1039075115.db2.gz YFJHGIUUHOXRPA-NSHDSACASA-N -1 0 344.436 3.844 20 0 EHADRM Cc1coc2ccc(NS(=O)(=O)c3ccc(N(C)C)cc3)cc12 ZINC000432773655 1039102830 /nfs/dbraw/zinc/10/28/30/1039102830.db2.gz ILUZIZUIQLCIPM-UHFFFAOYSA-N -1 0 330.409 3.608 20 0 EHADRM O=C(C[C@H]1CCc2ccccc2C1)N=c1nc(-c2ccccc2)[n-]s1 ZINC000480075670 1039111911 /nfs/dbraw/zinc/11/19/11/1039111911.db2.gz VCVLZRABSKXZCS-AWEZNQCLSA-N -1 0 349.459 3.761 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1SCCc2ccccc21 ZINC000910961439 1039159749 /nfs/dbraw/zinc/15/97/49/1039159749.db2.gz SONJEJMSYFWLAW-QGZVFWFLSA-N -1 0 341.432 3.916 20 0 EHADRM CCCCN(Cc1c(C)oc(C)c1C)C(=O)c1ccoc1CC(=O)[O-] ZINC000910964813 1039162400 /nfs/dbraw/zinc/16/24/00/1039162400.db2.gz CLLZIKPJFSJVGZ-UHFFFAOYSA-N -1 0 347.411 3.867 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1CCCc2c(O)cccc21 ZINC000910966869 1039164292 /nfs/dbraw/zinc/16/42/92/1039164292.db2.gz VINXOQIJYHDIIR-MRXNPFEDSA-N -1 0 339.391 3.711 20 0 EHADRM CSc1ccc(NC(=O)c2scnc2C2CC2)cc1C(=O)[O-] ZINC000910947874 1039169840 /nfs/dbraw/zinc/16/98/40/1039169840.db2.gz QABBLYBOPFKXBM-UHFFFAOYSA-N -1 0 334.422 3.693 20 0 EHADRM CCN(C(=O)CCCc1nc(C)cs1)c1cccc(C(=O)[O-])c1 ZINC000910968355 1039172875 /nfs/dbraw/zinc/17/28/75/1039172875.db2.gz VHXQMTHNHDEXMW-UHFFFAOYSA-N -1 0 332.425 3.526 20 0 EHADRM CCN(C(=O)[C@@H](C)c1cccc(OC)c1)c1cccc(C(=O)[O-])c1 ZINC000910972424 1039173996 /nfs/dbraw/zinc/17/39/96/1039173996.db2.gz WPEGBPYKBZVGAN-ZDUSSCGKSA-N -1 0 327.380 3.550 20 0 EHADRM C/C(=C/C(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1ccccc1Cl ZINC000236622254 1039228133 /nfs/dbraw/zinc/22/81/33/1039228133.db2.gz JMJCLPRMVAWTJH-WUFNSSIPSA-N -1 0 335.831 3.989 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)/C=C/c1cccc(F)c1 ZINC000236633047 1039231328 /nfs/dbraw/zinc/23/13/28/1039231328.db2.gz ZUVVHEVLEGKHOV-RMKNXTFCSA-N -1 0 343.354 3.963 20 0 EHADRM CC(C)c1csc([C@H]2CCCN(C(=O)c3ccc(C(=O)[O-])o3)C2)n1 ZINC000236877275 1039273703 /nfs/dbraw/zinc/27/37/03/1039273703.db2.gz YVYFQJVZYPCAHP-NSHDSACASA-N -1 0 348.424 3.578 20 0 EHADRM CCCc1cc(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)n[nH]1 ZINC000236959150 1039284394 /nfs/dbraw/zinc/28/43/94/1039284394.db2.gz CBIICNAHMIIOON-UHFFFAOYSA-N -1 0 329.381 3.527 20 0 EHADRM CC[C@@H](C(=O)N[C@@H](C)CCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000236970862 1039287532 /nfs/dbraw/zinc/28/75/32/1039287532.db2.gz JQQFJMMOYVAFKI-GXFFZTMASA-N -1 0 331.334 3.569 20 0 EHADRM O=C(COc1ccsc1Cl)Nc1cc(F)cc(Cl)c1[O-] ZINC000552448152 1039297402 /nfs/dbraw/zinc/29/74/02/1039297402.db2.gz RKSIALXQOAPGDI-UHFFFAOYSA-N -1 0 336.171 3.917 20 0 EHADRM COc1ccc2c(c1[N-]S(=O)(=O)c1ccc(Cl)s1)CCC2 ZINC000480201063 1039301866 /nfs/dbraw/zinc/30/18/66/1039301866.db2.gz UGTFTQGOGQFISM-UHFFFAOYSA-N -1 0 343.857 3.700 20 0 EHADRM CC1(C)CC[C@@H]1NC(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000480206432 1039307714 /nfs/dbraw/zinc/30/77/14/1039307714.db2.gz NCDNDYAKRCAWFH-NSHDSACASA-N -1 0 336.848 3.591 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)N=c2[n-]nc(C(C)(C)C)s2)cc1 ZINC000429827965 1039320960 /nfs/dbraw/zinc/32/09/60/1039320960.db2.gz NHQWAAUEYILTJT-UHFFFAOYSA-N -1 0 333.457 3.687 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)N(C(=O)N=c2[n-]nc(C(C)(C)C)s2)C1 ZINC000554421855 1039327839 /nfs/dbraw/zinc/32/78/39/1039327839.db2.gz LFQIVBYYQXIVAN-JSGCOSHPSA-N -1 0 344.484 3.873 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2cnn([C@H](C)CC)c2C)cc1 ZINC000480238731 1039338345 /nfs/dbraw/zinc/33/83/45/1039338345.db2.gz CCRUMIOIBPGINN-CYBMUJFWSA-N -1 0 335.473 3.916 20 0 EHADRM CC(C)(C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000236690266 1039349486 /nfs/dbraw/zinc/34/94/86/1039349486.db2.gz VUGATESSLFEWQV-ZDUSSCGKSA-N -1 0 337.847 3.721 20 0 EHADRM Cc1cccc([C@@H](C)CNC(=O)c2ccccc2CCC(=O)[O-])c1 ZINC000911426908 1039358487 /nfs/dbraw/zinc/35/84/87/1039358487.db2.gz JVDJGWSSKTVQHR-HNNXBMFYSA-N -1 0 325.408 3.546 20 0 EHADRM O=C([O-])C1(CC(=O)NCC2(C(F)(F)F)CCC2)CCCCCC1 ZINC000349003759 1039359548 /nfs/dbraw/zinc/35/95/48/1039359548.db2.gz KLMGAVKARJDVJB-UHFFFAOYSA-N -1 0 335.366 3.651 20 0 EHADRM Cc1cc(C(=O)N[C@H](C)CCC(=O)[O-])c(C)n1[C@@H](C)c1ccccc1 ZINC000237419287 1039360162 /nfs/dbraw/zinc/36/01/62/1039360162.db2.gz NTPWAEQQFMZTDH-HIFRSBDPSA-N -1 0 342.439 3.697 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1cc(F)c(C)cc1F ZINC000237604909 1039368316 /nfs/dbraw/zinc/36/83/16/1039368316.db2.gz JYWCPHOTHZYKMH-MRXNPFEDSA-N -1 0 333.334 3.527 20 0 EHADRM C[C@](CC(=O)N1CCC[C@@H]1c1cccs1)(C(=O)[O-])c1ccccc1 ZINC000324365028 1039403112 /nfs/dbraw/zinc/40/31/12/1039403112.db2.gz JCXKMOAGPZJQGE-DNVCBOLYSA-N -1 0 343.448 3.844 20 0 EHADRM O=C(N=c1[n-]nc(C2CC2)s1)N[C@H](CC1CCC1)c1ccccc1 ZINC000554501376 1039411887 /nfs/dbraw/zinc/41/18/87/1039411887.db2.gz ZWYXQYPWAYPPQT-OAHLLOKOSA-N -1 0 342.468 3.890 20 0 EHADRM CC(C)(CCC(=O)[O-])C(=O)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000911588991 1039413275 /nfs/dbraw/zinc/41/32/75/1039413275.db2.gz BEEYUWWQZUABMR-UHFFFAOYSA-N -1 0 348.830 3.528 20 0 EHADRM Cc1cc(C(=O)N2CCc3c2cccc3C(F)(F)F)oc1C(=O)[O-] ZINC000911542724 1039414038 /nfs/dbraw/zinc/41/40/38/1039414038.db2.gz OHPPNXXHNYAJQU-UHFFFAOYSA-N -1 0 339.269 3.508 20 0 EHADRM C[C@H](C(=O)[N-]S(=O)(=O)CCCF)c1ccc(Cl)c(Cl)c1 ZINC000080314273 1039418336 /nfs/dbraw/zinc/41/83/36/1039418336.db2.gz UPQUAXFQXBXZKC-QMMMGPOBSA-N -1 0 342.219 3.743 20 0 EHADRM Cc1cc(-c2cccc(CO[C@H]3CCOC3)c2)c(CC(=O)[O-])s1 ZINC000906237151 1039423706 /nfs/dbraw/zinc/42/37/06/1039423706.db2.gz GFOCIEGMISQMOU-HNNXBMFYSA-N -1 0 332.421 3.656 20 0 EHADRM CO[C@H](C(=O)[O-])c1ccc(-c2ccc(NC(=O)C(C)(C)C)nc2)s1 ZINC000906241423 1039424960 /nfs/dbraw/zinc/42/49/60/1039424960.db2.gz NVMOBHJDQOANBH-AWEZNQCLSA-N -1 0 348.424 3.567 20 0 EHADRM CC(C)Oc1ccc([C@H](C)NC(=O)CC2(C(=O)[O-])CCCC2)cc1 ZINC000324409230 1039425381 /nfs/dbraw/zinc/42/53/81/1039425381.db2.gz VGKSMAXRARRGGC-AWEZNQCLSA-N -1 0 333.428 3.686 20 0 EHADRM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000237798504 1039431183 /nfs/dbraw/zinc/43/11/83/1039431183.db2.gz JYJHDPSTBQXPTD-LSDHHAIUSA-N -1 0 329.421 3.816 20 0 EHADRM C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1ccccc1CCC(=O)[O-] ZINC000911590272 1039433987 /nfs/dbraw/zinc/43/39/87/1039433987.db2.gz KDQUYVRBCBHYQP-AAEUAGOBSA-N -1 0 343.345 3.507 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000911674160 1039467746 /nfs/dbraw/zinc/46/77/46/1039467746.db2.gz MQQLIVOMJCJREN-SNVBAGLBSA-N -1 0 344.238 3.810 20 0 EHADRM C[C@@H](NC(=O)N=c1[n-]nc(C2CC2)s1)c1cc2ccccc2s1 ZINC000554555674 1039472227 /nfs/dbraw/zinc/47/22/27/1039472227.db2.gz NVPNJRFAIDQSCS-SECBINFHSA-N -1 0 344.465 3.935 20 0 EHADRM COc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)c(C)c1 ZINC000911738801 1039481078 /nfs/dbraw/zinc/48/10/78/1039481078.db2.gz IDUVOAIHMDZDRB-UHFFFAOYSA-N -1 0 343.379 3.741 20 0 EHADRM O=C([O-])CCCCCNC(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000238147613 1039499037 /nfs/dbraw/zinc/49/90/37/1039499037.db2.gz GRSXYOVTPVSBRU-ZIAGYGMSSA-N -1 0 343.345 3.570 20 0 EHADRM FC(F)(F)CN=c1[n-]nc(SCc2ccccc2Cl)s1 ZINC000488957985 1039501511 /nfs/dbraw/zinc/50/15/11/1039501511.db2.gz WAFAEUWPVZYSEK-UHFFFAOYSA-N -1 0 339.795 3.880 20 0 EHADRM O=C([O-])C12CCC(C(=O)NC[C@H](c3ccccc3)C3CC3)(CC1)CC2 ZINC000911757076 1039507404 /nfs/dbraw/zinc/50/74/04/1039507404.db2.gz LNAVUBIRGVSSNW-MDMXATFFSA-N -1 0 341.451 3.722 20 0 EHADRM CCC[C@](C)(NC(=O)N[C@@H](C)c1oc2ccccc2c1C)C(=O)[O-] ZINC000554601387 1039526076 /nfs/dbraw/zinc/52/60/76/1039526076.db2.gz CAFHDFQHUVZZDQ-SGTLLEGYSA-N -1 0 332.400 3.745 20 0 EHADRM COC1(CN=c2[n-]nc(Cc3cccc4ccccc43)o2)CCCC1 ZINC000478573539 1039545465 /nfs/dbraw/zinc/54/54/65/1039545465.db2.gz PTWSHXYCCBEXJH-UHFFFAOYSA-N -1 0 337.423 3.607 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2c(C)cc(C)cc2OC)c(C)cc1C ZINC000478678494 1039631437 /nfs/dbraw/zinc/63/14/37/1039631437.db2.gz AWQRKIURVNPKQS-UHFFFAOYSA-N -1 0 349.452 3.738 20 0 EHADRM CCOc1c(F)cccc1C(=O)Nc1cc(C)c(C)c(C(=O)[O-])c1 ZINC000485944812 1039708010 /nfs/dbraw/zinc/70/80/10/1039708010.db2.gz DVFRWGVRXLLXSR-UHFFFAOYSA-N -1 0 331.343 3.792 20 0 EHADRM Cc1cc(NC(=O)Cc2csc(C(C)(C)C)n2)cc(C(=O)[O-])c1C ZINC000485949027 1039712706 /nfs/dbraw/zinc/71/27/06/1039712706.db2.gz FQZUPJBLPOICQJ-UHFFFAOYSA-N -1 0 346.452 3.937 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1cc2ccccc2s1)Cc1ccccc1 ZINC000485937949 1039716928 /nfs/dbraw/zinc/71/69/28/1039716928.db2.gz DUTFSWUTXVSUBQ-HNNXBMFYSA-N -1 0 339.416 3.575 20 0 EHADRM CCC(CC)(CC(=O)N(C)Cc1ccc(OC(F)F)cc1)C(=O)[O-] ZINC000324635282 1039756802 /nfs/dbraw/zinc/75/68/02/1039756802.db2.gz SDTCEKHHIFGHDO-UHFFFAOYSA-N -1 0 343.370 3.528 20 0 EHADRM COc1cccc(/C=C/c2nc(C(=O)[O-])c(Br)s2)c1 ZINC000486023883 1039795606 /nfs/dbraw/zinc/79/56/06/1039795606.db2.gz DYPOMCWKLVTTNI-AATRIKPKSA-N -1 0 340.198 3.783 20 0 EHADRM CCCn1nc(C)c(/C=C\c2nc3ccc(C(=O)[O-])cc3o2)c1C ZINC000486074912 1039839778 /nfs/dbraw/zinc/83/97/78/1039839778.db2.gz HFIRHEJLQJVPGY-VURMDHGXSA-N -1 0 325.368 3.920 20 0 EHADRM C[C@@H](C(=O)Nc1cc(Cl)cc(Br)c1[O-])[C@@H]1CCCO1 ZINC000907145661 1039944160 /nfs/dbraw/zinc/94/41/60/1039944160.db2.gz GHIDSJVBJVXCGF-HQJQHLMTSA-N -1 0 348.624 3.562 20 0 EHADRM O=C([O-])[C@H](NCc1cnc(C2CCCC2)s1)c1cccc(F)c1 ZINC000417555183 1039997641 /nfs/dbraw/zinc/99/76/41/1039997641.db2.gz LIOMRMMPLPBSNR-OAHLLOKOSA-N -1 0 334.416 3.855 20 0 EHADRM COCc1ccc(CN[C@@H](C(=O)[O-])c2c(Cl)cccc2Cl)o1 ZINC000417566990 1040017527 /nfs/dbraw/zinc/01/75/27/1040017527.db2.gz RVOJRXAKIONTGX-CQSZACIVSA-N -1 0 344.194 3.648 20 0 EHADRM C[C@@H]1C[C@H](Sc2n[n-]c(=Nc3cccc(F)c3)s2)C[C@H](C)O1 ZINC000555006661 1040048058 /nfs/dbraw/zinc/04/80/58/1040048058.db2.gz UEZFMLYQFGOHQQ-IWIIMEHWSA-N -1 0 339.461 3.891 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N(Cc2ccccc2F)C2CC2)CC1 ZINC000584842356 1040054658 /nfs/dbraw/zinc/05/46/58/1040054658.db2.gz ZQFVNQUWEUFGBB-UHFFFAOYSA-N -1 0 333.403 3.598 20 0 EHADRM C[C@H](CC(=O)[O-])c1ccc(NCc2nccn2CC(F)(F)F)cc1 ZINC000417605340 1040057493 /nfs/dbraw/zinc/05/74/93/1040057493.db2.gz AXIGCKSJAHVBEK-LLVKDONJSA-N -1 0 341.333 3.636 20 0 EHADRM CC[C@@H](Cc1ccc(NCc2ccc3c(c2)ncn3C)cc1)C(=O)[O-] ZINC000417607062 1040057852 /nfs/dbraw/zinc/05/78/52/1040057852.db2.gz FXNNUAJKSWBCDB-INIZCTEOSA-N -1 0 337.423 3.839 20 0 EHADRM C[C@@H](Cc1ccc(NCc2ccnn2C2CCCC2)cc1)C(=O)[O-] ZINC000417606377 1040058259 /nfs/dbraw/zinc/05/82/59/1040058259.db2.gz DUMFRKGHYXFDBL-AWEZNQCLSA-N -1 0 327.428 3.874 20 0 EHADRM CC[C@H](Cc1ccc(NCc2c(C)cc(OC)nc2C)cc1)C(=O)[O-] ZINC000417606743 1040058363 /nfs/dbraw/zinc/05/83/63/1040058363.db2.gz FGRJSTBLJXUONR-MRXNPFEDSA-N -1 0 342.439 3.972 20 0 EHADRM CC(C)n1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)n1 ZINC000479233709 1040069020 /nfs/dbraw/zinc/06/90/20/1040069020.db2.gz GYNXOZFCKLHDRT-UHFFFAOYSA-N -1 0 341.436 3.932 20 0 EHADRM CC(C)(C)c1ncc(CNc2ccccc2CCCC(=O)[O-])cn1 ZINC000417618387 1040071107 /nfs/dbraw/zinc/07/11/07/1040071107.db2.gz GSAXSXXVFWMCKZ-UHFFFAOYSA-N -1 0 327.428 3.794 20 0 EHADRM CC(C)=CCSC[C@@H](NCc1cnc(C(C)(C)C)s1)C(=O)[O-] ZINC000417622540 1040076272 /nfs/dbraw/zinc/07/62/72/1040076272.db2.gz HICSZBZBIQFJJV-CYBMUJFWSA-N -1 0 342.530 3.683 20 0 EHADRM CSCc1ccc(NC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)cc1 ZINC000907564265 1040097233 /nfs/dbraw/zinc/09/72/33/1040097233.db2.gz BXSRHBRNHICIIZ-LPHOPBHVSA-N -1 0 341.432 3.747 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)c2cccnc12)c1ccccc1F ZINC000042676867 1040132348 /nfs/dbraw/zinc/13/23/48/1040132348.db2.gz ZVHXFDAKHRVSAM-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM Cc1ccc2oc(C(=O)Nc3ccc4[n-]c(=S)oc4c3)cc2n1 ZINC000178646015 1040165406 /nfs/dbraw/zinc/16/54/06/1040165406.db2.gz PRTAFRZEKCHZRQ-UHFFFAOYSA-N -1 0 325.349 3.818 20 0 EHADRM Cc1c(C(=O)N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@H]23)oc2c1c(C)ccc2C ZINC000907932966 1040232219 /nfs/dbraw/zinc/23/22/19/1040232219.db2.gz LZQUPESAEJAQMF-LJISPDSOSA-N -1 0 341.407 3.587 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccn2)cc1Cl ZINC000432951245 1040243782 /nfs/dbraw/zinc/24/37/82/1040243782.db2.gz SNDIDILFZBNFDJ-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)c2ccc3oc(=O)nc-3[n-]2)o1 ZINC000669016135 1040246142 /nfs/dbraw/zinc/24/61/42/1040246142.db2.gz IKZXCIMHSGOJSF-ZDUSSCGKSA-N -1 0 341.367 3.587 20 0 EHADRM Cc1nc(-c2cccc(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)c2)cs1 ZINC000908018972 1040266481 /nfs/dbraw/zinc/26/64/81/1040266481.db2.gz OCKKKKMEOGSJFP-HNNXBMFYSA-N -1 0 346.452 3.738 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000908027875 1040269615 /nfs/dbraw/zinc/26/96/15/1040269615.db2.gz KNRPGNHCJICAJO-CYBMUJFWSA-N -1 0 345.361 3.801 20 0 EHADRM C/C=C/c1ccc(NC(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)cc1 ZINC000489948887 1040271869 /nfs/dbraw/zinc/27/18/69/1040271869.db2.gz SNAIEBIRLOZERX-ONEGZZNKSA-N -1 0 333.391 3.759 20 0 EHADRM Cc1ccc(-c2nc(NC(=O)[C@@H](C)CCc3cccc(F)c3)n[nH]2)o1 ZINC000479479023 1040276277 /nfs/dbraw/zinc/27/62/77/1040276277.db2.gz ORBUCZIOPMSATP-NSHDSACASA-N -1 0 342.374 3.720 20 0 EHADRM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3c(C)cccc3F)c2)o1 ZINC000479480930 1040279928 /nfs/dbraw/zinc/27/99/28/1040279928.db2.gz FLMFDQMNOMIKIF-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM CN(C(=O)c1coc(C2CCCCC2)n1)c1cccc(CC(=O)[O-])c1 ZINC000908087833 1040282342 /nfs/dbraw/zinc/28/23/42/1040282342.db2.gz GGTIYXCOPFJCNU-UHFFFAOYSA-N -1 0 342.395 3.626 20 0 EHADRM CN(C(=O)CCc1cc(Cl)cs1)c1cccc(CC(=O)[O-])c1 ZINC000908079860 1040289176 /nfs/dbraw/zinc/28/91/76/1040289176.db2.gz JPAFDHBPGCAYQK-UHFFFAOYSA-N -1 0 337.828 3.624 20 0 EHADRM CC[C@H](CC(=O)N(C)c1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC000908079296 1040289689 /nfs/dbraw/zinc/28/96/89/1040289689.db2.gz XEJKMFLSJCPOQO-MRXNPFEDSA-N -1 0 325.408 3.860 20 0 EHADRM Cc1cc(C)cc(CCC(=O)N(C)c2cccc(CC(=O)[O-])c2)c1 ZINC000908080143 1040290605 /nfs/dbraw/zinc/29/06/05/1040290605.db2.gz MXMUCQHKVGYGOA-UHFFFAOYSA-N -1 0 325.408 3.526 20 0 EHADRM Fc1ccc2c(c1)[C@H](Sc1n[n-]c(=NCC(F)(F)F)s1)CC2 ZINC000481041058 1040306066 /nfs/dbraw/zinc/30/60/66/1040306066.db2.gz AOPDBOIEJOFPMC-SNVBAGLBSA-N -1 0 349.378 3.853 20 0 EHADRM CSc1cccc(C)c1NC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000899312132 1040310375 /nfs/dbraw/zinc/31/03/75/1040310375.db2.gz TXFCZLQPSUSOSD-ZDUSSCGKSA-N -1 0 336.457 3.968 20 0 EHADRM COc1cc(C)c(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1C ZINC000899313789 1040315530 /nfs/dbraw/zinc/31/55/30/1040315530.db2.gz QARIRTJVQMYRTL-AWEZNQCLSA-N -1 0 334.416 3.563 20 0 EHADRM O=C([O-])C/C(=C/c1cnn(CC2CCC2)c1)c1nc2ccccc2o1 ZINC000899343055 1040342515 /nfs/dbraw/zinc/34/25/15/1040342515.db2.gz NAZBESFBPASPMT-NVNXTCNLSA-N -1 0 337.379 3.840 20 0 EHADRM Cc1cccc(C2(C(=O)NCCCCC3(C(=O)[O-])CCC3)CC2)c1 ZINC000908340969 1040401317 /nfs/dbraw/zinc/40/13/17/1040401317.db2.gz ICFHIOYZUAKWIH-UHFFFAOYSA-N -1 0 329.440 3.568 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)C2(c3cccc(F)c3)CCC2)CCC1 ZINC000908345085 1040403975 /nfs/dbraw/zinc/40/39/75/1040403975.db2.gz YBYKKRNWJJVFAY-UHFFFAOYSA-N -1 0 347.430 3.789 20 0 EHADRM CCCc1ccc(C([O-])=CS(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000486749791 1040404767 /nfs/dbraw/zinc/40/47/67/1040404767.db2.gz SOMQGHPIZGYPMK-UHFFFAOYSA-N -1 0 346.448 3.694 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)C1 ZINC000908376333 1040419503 /nfs/dbraw/zinc/41/95/03/1040419503.db2.gz UOPGFURLIPYAHT-RPTUDFQQSA-N -1 0 337.419 3.703 20 0 EHADRM CC[C@@H]1CCCCCN1C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000669041192 1040420122 /nfs/dbraw/zinc/42/01/22/1040420122.db2.gz BXZWZEASEFIIFY-CYBMUJFWSA-N -1 0 349.381 3.651 20 0 EHADRM COc1cccc([C@H](C)CC(=O)Nc2cccc(C(=O)[O-])c2OC)c1 ZINC000908508173 1040497474 /nfs/dbraw/zinc/49/74/74/1040497474.db2.gz QHCKLSWOZIBACS-GFCCVEGCSA-N -1 0 343.379 3.534 20 0 EHADRM Cc1cc(C(=O)N=c2[n-]nc(/C=C\c3ccco3)s2)ccc1Cl ZINC000490373661 1040528536 /nfs/dbraw/zinc/52/85/36/1040528536.db2.gz TUTGWXQDEGRMBP-ALCCZGGFSA-N -1 0 345.811 3.938 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N[C@@H](c2ccccc2C)C2CC2)s1 ZINC000490437588 1040554685 /nfs/dbraw/zinc/55/46/85/1040554685.db2.gz UJDYTIPHTWFRSH-MRXNPFEDSA-N -1 0 344.484 3.884 20 0 EHADRM O=C(OCc1ccc(-n2cccn2)cc1)c1ccc([O-])c(Cl)c1 ZINC000759998623 1040566803 /nfs/dbraw/zinc/56/68/03/1040566803.db2.gz RNWLPOMJYVGJHL-UHFFFAOYSA-N -1 0 328.755 3.588 20 0 EHADRM COc1cc2c(cc1NC(=O)[C@@H](C(=O)[O-])C(C)C)oc1ccccc12 ZINC000908693994 1040578819 /nfs/dbraw/zinc/57/88/19/1040578819.db2.gz TYWCJTZYZXQLBL-KRWDZBQOSA-N -1 0 341.363 3.890 20 0 EHADRM CCOc1ccc([C@@H](C)NC(=O)c2ccccc2CCC(=O)[O-])cc1 ZINC000908738306 1040619794 /nfs/dbraw/zinc/61/97/94/1040619794.db2.gz XOUZSNHZOZLOMS-CQSZACIVSA-N -1 0 341.407 3.594 20 0 EHADRM C[C@H](CCNC(=O)C12CCC(C(=O)[O-])(CC1)CC2)c1ccccc1 ZINC000908760280 1040639068 /nfs/dbraw/zinc/63/90/68/1040639068.db2.gz KNIZKUISKDPWSL-APMMTJHUSA-N -1 0 329.440 3.722 20 0 EHADRM Clc1ccc(CCCN=c2[n-]nc(C3CCOCC3)s2)cc1 ZINC000549490221 1040713684 /nfs/dbraw/zinc/71/36/84/1040713684.db2.gz OEFKGBOJNZPQCY-UHFFFAOYSA-N -1 0 337.876 3.552 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)C[C@@H](c1ccc(O)cc1)C1CC1 ZINC000909072380 1040772385 /nfs/dbraw/zinc/77/23/85/1040772385.db2.gz UNZOXQQLVFWQCT-QGZVFWFLSA-N -1 0 339.391 3.542 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)CC(C)(C)CC(F)(F)F)c1ccccc1 ZINC000909067778 1040789622 /nfs/dbraw/zinc/78/96/22/1040789622.db2.gz SNGBTIHLAOHMLI-BXUZGUMPSA-N -1 0 345.361 3.933 20 0 EHADRM COCCN=c1[n-]nc(SCc2c(C)ccc3ccccc32)s1 ZINC000481374699 1040796005 /nfs/dbraw/zinc/79/60/05/1040796005.db2.gz QGKKDHGHUNODFU-UHFFFAOYSA-N -1 0 345.493 3.772 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)CCO1 ZINC000909101067 1040803945 /nfs/dbraw/zinc/80/39/45/1040803945.db2.gz QNYWFYQGQRCGSM-FDEGQTKMSA-N -1 0 331.412 3.564 20 0 EHADRM O=C(C=C1CCSCC1)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000909121264 1040815530 /nfs/dbraw/zinc/81/55/30/1040815530.db2.gz BAQVGSRPMSWJEJ-UHFFFAOYSA-N -1 0 333.434 3.991 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1coc(C2CCCCC2)n1 ZINC000909134006 1040820845 /nfs/dbraw/zinc/82/08/45/1040820845.db2.gz KWHHOSHJOCCWFK-UHFFFAOYSA-N -1 0 342.395 3.693 20 0 EHADRM O=S(=O)(/C=C\c1ccc(Cl)cc1)[N-]C1(C(F)(F)F)CCC1 ZINC000760615654 1040823329 /nfs/dbraw/zinc/82/33/29/1040823329.db2.gz KJYUGVLUVVULPU-TWGQIWQCSA-N -1 0 339.766 3.715 20 0 EHADRM O=C([O-])c1cc(NC(=O)C[C@H](c2ccc(O)cc2)C2CC2)ccc1F ZINC000909105952 1040825622 /nfs/dbraw/zinc/82/56/22/1040825622.db2.gz OIJZZBWCJOUARW-HNNXBMFYSA-N -1 0 343.354 3.752 20 0 EHADRM CC1(C)CC[C@H]1C(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC000659157250 1040845277 /nfs/dbraw/zinc/84/52/77/1040845277.db2.gz RGYAXXNIKRPKJJ-KRWDZBQOSA-N -1 0 329.440 3.602 20 0 EHADRM CC1(C)Cc2cc(-c3cccc4c3NC(=O)[C@H]4CC(=O)[O-])ccc2O1 ZINC000899639610 1040907436 /nfs/dbraw/zinc/90/74/36/1040907436.db2.gz SJWFCXQBHAZXKX-HNNXBMFYSA-N -1 0 337.375 3.578 20 0 EHADRM Cc1ccc(C[C@H]2CCCN2C(=O)CC2CCC(C(=O)[O-])CC2)cc1 ZINC000580332136 1040917232 /nfs/dbraw/zinc/91/72/32/1040917232.db2.gz FYTRCGVXQMMNHR-CTWPCTMYSA-N -1 0 343.467 3.810 20 0 EHADRM CC(C)(C)C1=CCN(C(=O)c2nn(-c3ccccc3F)cc2[O-])CC1 ZINC000536244025 1040980637 /nfs/dbraw/zinc/98/06/37/1040980637.db2.gz JTUZEFFYTHFBKO-UHFFFAOYSA-N -1 0 343.402 3.535 20 0 EHADRM Cc1c(C(=O)Nc2ccc3[n-]c(=S)oc3c2)cnn1C(C)(C)C ZINC000163703250 1041002369 /nfs/dbraw/zinc/00/23/69/1041002369.db2.gz LXPZFACRAUXLOH-UHFFFAOYSA-N -1 0 330.413 3.629 20 0 EHADRM Cc1cc(Nc2ccc(N3CCOCC3)c(Cl)c2)ccc1C(=O)[O-] ZINC001211657197 1041063183 /nfs/dbraw/zinc/06/31/83/1041063183.db2.gz FZQLLSJCLKQKEM-UHFFFAOYSA-N -1 0 346.814 3.927 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N[C@@H](C)c2ccc(F)cc2F)C(=O)[O-])cc1 ZINC000899758682 1041064670 /nfs/dbraw/zinc/06/46/70/1041064670.db2.gz JJDCJHBJEFDPAQ-BLLLJJGKSA-N -1 0 347.361 3.709 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2cscc2C(F)F)n1 ZINC000909955454 1041095863 /nfs/dbraw/zinc/09/58/63/1041095863.db2.gz SXSOBMGFWZZNDG-JTQLQIEISA-N -1 0 343.355 3.560 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)Nc1ccccc1CCC(F)(F)F ZINC000899773743 1041110064 /nfs/dbraw/zinc/11/00/64/1041110064.db2.gz NHQJARGJAJPCOD-WBMJQRKESA-N -1 0 343.345 3.867 20 0 EHADRM COc1cc(Cl)c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C(=O)[O-])cc1C ZINC000899786823 1041124222 /nfs/dbraw/zinc/12/42/22/1041124222.db2.gz ZHWMIVQYXYRBNI-DLXUEXIISA-N -1 0 349.814 3.509 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccn(CCC(C)C)n2)c(C)c1 ZINC000481599606 1041129456 /nfs/dbraw/zinc/12/94/56/1041129456.db2.gz PPCFZYIAJHAMFF-UHFFFAOYSA-N -1 0 335.473 3.655 20 0 EHADRM CC(C)(C)[C@@H]1CCCN(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])C1 ZINC000910020645 1041137869 /nfs/dbraw/zinc/13/78/69/1041137869.db2.gz ATCBOJBLINRZLT-CYBMUJFWSA-N -1 0 342.439 3.693 20 0 EHADRM Cc1ccc([C@H](CC(=O)N2CCC[C@H]2c2cccs2)C(=O)[O-])cc1 ZINC000899796842 1041149192 /nfs/dbraw/zinc/14/91/92/1041149192.db2.gz RILKSNQYLAZYSF-HOTGVXAUSA-N -1 0 343.448 3.979 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)N[C@@H](c1ccccc1)C(F)(F)F ZINC000899806638 1041151247 /nfs/dbraw/zinc/15/12/47/1041151247.db2.gz NGSJXBWDKHOFSR-JSGCOSHPSA-N -1 0 331.334 3.543 20 0 EHADRM Cc1ccc(CN(C)C(=O)C[C@H](C(=O)[O-])c2ccc(C)cc2)s1 ZINC000899807353 1041151769 /nfs/dbraw/zinc/15/17/69/1041151769.db2.gz VBASRHLNAGCFIV-INIZCTEOSA-N -1 0 331.437 3.582 20 0 EHADRM Cc1ccc(CN(C(=O)C[C@H](C(=O)[O-])c2ccc(C)cc2)C2CC2)o1 ZINC000899814822 1041162169 /nfs/dbraw/zinc/16/21/69/1041162169.db2.gz TZTCWEPMMZWWGF-SFHVURJKSA-N -1 0 341.407 3.646 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C[C@H]2C=CCCC2)c(OC(F)F)c1 ZINC000910043262 1041162710 /nfs/dbraw/zinc/16/27/10/1041162710.db2.gz REMWWUGDFCUOBM-JTQLQIEISA-N -1 0 325.311 3.671 20 0 EHADRM CCc1cccc(C(=O)N2CC[C@@]3(C2)CCc2ccccc2O3)c1O ZINC000571012230 1041162840 /nfs/dbraw/zinc/16/28/40/1041162840.db2.gz FWAAGSSKYABAIT-OAQYLSRUSA-N -1 0 337.419 3.565 20 0 EHADRM CC[C@H](Sc1cc(C(F)(F)F)nc(-c2ccncc2)n1)C(=O)[O-] ZINC000571093114 1041179149 /nfs/dbraw/zinc/17/91/49/1041179149.db2.gz DGQWGBALYVADSD-VIFPVBQESA-N -1 0 343.330 3.513 20 0 EHADRM O=C([O-])c1csc([C@H]2CCCN2C(=O)c2ccc(Cl)s2)n1 ZINC000910112485 1041194639 /nfs/dbraw/zinc/19/46/39/1041194639.db2.gz MPLVVKSYKAZYIY-MRVPVSSYSA-N -1 0 342.829 3.534 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2c2nc(C(=O)[O-])cs2)C1(C)C ZINC000910111940 1041194954 /nfs/dbraw/zinc/19/49/54/1041194954.db2.gz IAQRUIFNINNIKH-MRVWCRGKSA-N -1 0 348.468 3.743 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)C(C)(C)SCC(=O)[O-])c1 ZINC000899841507 1041204200 /nfs/dbraw/zinc/20/42/00/1041204200.db2.gz CBYJBXKCMVOZJQ-UHFFFAOYSA-N -1 0 339.457 3.537 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])C[C@H]1C(=O)Nc1ccccc1Oc1ccccn1 ZINC000899841751 1041205584 /nfs/dbraw/zinc/20/55/84/1041205584.db2.gz DSRZNQCMPVBICD-DJJJIMSYSA-N -1 0 340.379 3.559 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)CC1(C(=O)[O-])CCCC1)C(C)(C)C ZINC000899852629 1041211966 /nfs/dbraw/zinc/21/19/66/1041211966.db2.gz ICJJONXIOPIEIK-INIZCTEOSA-N -1 0 332.444 3.629 20 0 EHADRM CCCc1nc(=NC(=O)[C@H](C)c2ccc3ccccc3c2)s[n-]1 ZINC000466942610 1041216564 /nfs/dbraw/zinc/21/65/64/1041216564.db2.gz KPROEWBZCCPFPF-GFCCVEGCSA-N -1 0 325.437 3.808 20 0 EHADRM CC(=O)c1cccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)c1O ZINC000555879721 1041287894 /nfs/dbraw/zinc/28/78/94/1041287894.db2.gz TVUADKQKLSUDLS-UHFFFAOYSA-N -1 0 347.436 3.629 20 0 EHADRM O=C(Nc1nc(-c2ccsc2)ns1)c1ccc([O-])c(Cl)c1 ZINC000109695371 1041463491 /nfs/dbraw/zinc/46/34/91/1041463491.db2.gz KBXSVLKBEKBJQU-UHFFFAOYSA-N -1 0 337.813 3.878 20 0 EHADRM Cc1ccc(S[C@H](C)C(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])cc1 ZINC000432100478 1041589950 /nfs/dbraw/zinc/58/99/50/1041589950.db2.gz XQFGXYWSTNHCHW-DDUZABMNSA-N -1 0 335.469 3.625 20 0 EHADRM COc1ccc2c(c1)[C@H](C(=O)Nc1cc(F)cc(Cl)c1[O-])CC2 ZINC000432146485 1041652148 /nfs/dbraw/zinc/65/21/48/1041652148.db2.gz BTVURBOWYWDITF-GFCCVEGCSA-N -1 0 335.762 3.862 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1 ZINC000652124072 1041665949 /nfs/dbraw/zinc/66/59/49/1041665949.db2.gz MMJGMJMPKUPBHI-CZHQAMEJSA-N -1 0 341.451 3.783 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1 ZINC000652124073 1041666135 /nfs/dbraw/zinc/66/61/35/1041666135.db2.gz MMJGMJMPKUPBHI-RAEMOODJSA-N -1 0 341.451 3.783 20 0 EHADRM Cc1ccccc1[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000909343398 1041673529 /nfs/dbraw/zinc/67/35/29/1041673529.db2.gz SAZYZMVWBHEGFY-SJKOYZFVSA-N -1 0 347.361 3.709 20 0 EHADRM CON(C)C(=O)c1c(Cl)cccc1Nc1ccc(C(=O)[O-])c(C)c1 ZINC001211660865 1041701988 /nfs/dbraw/zinc/70/19/88/1041701988.db2.gz PPVUQEPBHWSFGL-UHFFFAOYSA-N -1 0 348.786 3.724 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)N2CCC(C)(C(=O)[O-])CC2)c1 ZINC000647694691 1041712963 /nfs/dbraw/zinc/71/29/63/1041712963.db2.gz MMJLNBXCLHPEKZ-UHFFFAOYSA-N -1 0 348.443 3.830 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cccc(C(F)F)c2Cl)C[C@@H]1C(=O)[O-] ZINC000647699763 1041781791 /nfs/dbraw/zinc/78/17/91/1041781791.db2.gz FGRPZRKNIUYBQN-SCZZXKLOSA-N -1 0 346.761 3.852 20 0 EHADRM N#CC(C(=O)c1cccs1)=C([O-])c1sccc1Br ZINC000125335263 1041943704 /nfs/dbraw/zinc/94/37/04/1041943704.db2.gz JJFBEKFOJWJABB-SSDOTTSWSA-N -1 0 340.223 3.777 20 0 EHADRM O=C([O-])CCC(=O)Nc1ccc(Nc2ccc3scnc3c2)cc1 ZINC001213190229 1042169115 /nfs/dbraw/zinc/16/91/15/1042169115.db2.gz VNFKFVGAEVNLAZ-UHFFFAOYSA-N -1 0 341.392 3.843 20 0 EHADRM CCCCCC[C@](C)(NC(=O)c1ccc(Br)o1)C(=O)[O-] ZINC000236730603 1042169688 /nfs/dbraw/zinc/16/96/88/1042169688.db2.gz LNJPEAMTYPXFER-AWEZNQCLSA-N -1 0 346.221 3.586 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1c1nc2cc(Cl)cc(Cl)c2o1 ZINC000662894992 1042203808 /nfs/dbraw/zinc/20/38/08/1042203808.db2.gz XKRVKXOHAYNIRS-HTQZYQBOSA-N -1 0 329.183 3.824 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1c1nc2cc(Cl)cc(Cl)c2o1 ZINC000662894993 1042204297 /nfs/dbraw/zinc/20/42/97/1042204297.db2.gz XKRVKXOHAYNIRS-JGVFFNPUSA-N -1 0 329.183 3.824 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1c1nccc2cc(C(F)(F)F)ccc21 ZINC000662894046 1042204406 /nfs/dbraw/zinc/20/44/06/1042204406.db2.gz RRFQEXDQJMGQRB-CMPLNLGQSA-N -1 0 338.329 3.943 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1c1cnc2cc(Cl)c(Cl)cc2n1 ZINC000662895025 1042205409 /nfs/dbraw/zinc/20/54/09/1042205409.db2.gz XUFKAIONFYLSJH-RKDXNWHRSA-N -1 0 340.210 3.626 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1c1ccnc2c(Br)cccc12 ZINC000662893023 1042206286 /nfs/dbraw/zinc/20/62/86/1042206286.db2.gz JATNRUYRWWQHCI-GHMZBOCLSA-N -1 0 349.228 3.687 20 0 EHADRM CCC(CC)(CC(=O)N[C@H](C)c1ccccc1OC(C)C)C(=O)[O-] ZINC000048383575 1042333108 /nfs/dbraw/zinc/33/31/08/1042333108.db2.gz SMPPXFWQKVIKHN-CQSZACIVSA-N -1 0 335.444 3.932 20 0 EHADRM CCN(Cc1ccc(OC)cc1)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184282885 1042405760 /nfs/dbraw/zinc/40/57/60/1042405760.db2.gz JFAKHNOJSGETMP-UHFFFAOYSA-N -1 0 337.778 3.856 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(OC(F)F)c(F)c2)CCCCCC1 ZINC000663081140 1042431251 /nfs/dbraw/zinc/43/12/51/1042431251.db2.gz YWQBTTXNOCVYBU-UHFFFAOYSA-N -1 0 345.317 3.791 20 0 EHADRM C[C@H](c1ccc(C(=O)[O-])o1)N(C)Cc1ccc(Br)s1 ZINC000652378378 1042435777 /nfs/dbraw/zinc/43/57/77/1042435777.db2.gz IODPQWKYSMYAIR-MRVPVSSYSA-N -1 0 344.230 3.995 20 0 EHADRM COc1ccc(NC(=O)c2cc(F)c([O-])c(Cl)c2)c2cccnc12 ZINC000184313665 1042445499 /nfs/dbraw/zinc/44/54/99/1042445499.db2.gz IIUVJTWWUXJXLB-UHFFFAOYSA-N -1 0 346.745 3.994 20 0 EHADRM Cc1cc(Br)c(Cl)cc1NC(=O)CCCCC(=O)[O-] ZINC000663127541 1042476686 /nfs/dbraw/zinc/47/66/86/1042476686.db2.gz NOUMBGKQLZDXBX-UHFFFAOYSA-N -1 0 348.624 3.994 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)Cc1ccc(-c2ccccc2)cc1)C1CCC1 ZINC000663145917 1042489907 /nfs/dbraw/zinc/48/99/07/1042489907.db2.gz ASQVIAXAOHGTDK-IBGZPJMESA-N -1 0 337.419 3.513 20 0 EHADRM O=C([O-])[C@H](CNC(=O)Cc1ccc(-c2ccccc2)cc1)C1CCC1 ZINC000663145918 1042491010 /nfs/dbraw/zinc/49/10/10/1042491010.db2.gz ASQVIAXAOHGTDK-LJQANCHMSA-N -1 0 337.419 3.513 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1ccc(Cl)cc1C(F)(F)F)C1CCC1 ZINC000663152467 1042496732 /nfs/dbraw/zinc/49/67/32/1042496732.db2.gz KAJVYQPUJGVGER-LLVKDONJSA-N -1 0 349.736 3.590 20 0 EHADRM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663154629 1042499833 /nfs/dbraw/zinc/49/98/33/1042499833.db2.gz KENAPJAPWCTPLJ-WMLDXEAASA-N -1 0 346.471 3.682 20 0 EHADRM Cc1ccc2c(c1)CC[C@@H]2NC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000909401267 1042529349 /nfs/dbraw/zinc/52/93/49/1042529349.db2.gz OPEKMQVVEGLDOQ-DZIBYMRMSA-N -1 0 327.424 3.524 20 0 EHADRM CCS[C@H]1CC[C@H](N(C)C(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000184459770 1042551744 /nfs/dbraw/zinc/55/17/44/1042551744.db2.gz XJBBRNWMBRGWAR-QWRGUYRKSA-N -1 0 331.840 3.931 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(F)c([O-])c(Cl)c2)[C@@H](c2ccccc2)CO1 ZINC000184464538 1042552424 /nfs/dbraw/zinc/55/24/24/1042552424.db2.gz HGYMBCJLZXOWSR-BDJLRTHQSA-N -1 0 349.789 3.787 20 0 EHADRM O=C([O-])[C@@H]1CCN(CCc2nsc3ccccc32)c2ccccc21 ZINC000662210637 1042596376 /nfs/dbraw/zinc/59/63/76/1042596376.db2.gz ITMMYCNDGUJXKQ-CQSZACIVSA-N -1 0 338.432 3.917 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)c1cc2c(s1)CCCCCC2 ZINC000321280932 1042623794 /nfs/dbraw/zinc/62/37/94/1042623794.db2.gz IKQWGHSFWWENTQ-AWEZNQCLSA-N -1 0 335.469 3.877 20 0 EHADRM Cc1ccc(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)cc1C(F)(F)F ZINC000321321949 1042640828 /nfs/dbraw/zinc/64/08/28/1042640828.db2.gz OBSBUJLUWZAQTM-LLVKDONJSA-N -1 0 332.322 3.635 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])c(Cl)c1 ZINC000601987333 1042654386 /nfs/dbraw/zinc/65/43/86/1042654386.db2.gz GYUVDNRDEBETDD-UWVGGRQHSA-N -1 0 345.848 3.661 20 0 EHADRM C[C@]1(c2ccccc2)CCCN(C(=O)c2cc(F)c([O-])c(F)c2)C1 ZINC000186811621 1042710497 /nfs/dbraw/zinc/71/04/97/1042710497.db2.gz VCYPQOAPSQBMPB-IBGZPJMESA-N -1 0 331.362 3.864 20 0 EHADRM CCCOc1ccc(NC(=O)NCC2(C(=O)[O-])CCC2)cc1Cl ZINC000663343142 1042725423 /nfs/dbraw/zinc/72/54/23/1042725423.db2.gz FPKQGIJOJMGCAE-UHFFFAOYSA-N -1 0 340.807 3.505 20 0 EHADRM O=C([O-])[C@H](CNC(=O)Nc1ccc(-c2ccco2)cc1F)C1CCC1 ZINC000663369111 1042761570 /nfs/dbraw/zinc/76/15/70/1042761570.db2.gz RONJBYCOYWWFQW-CYBMUJFWSA-N -1 0 346.358 3.708 20 0 EHADRM FC(F)c1n[n-]c(=N[C@H](COCc2ccccc2)c2ccccc2)o1 ZINC000432316829 1042831187 /nfs/dbraw/zinc/83/11/87/1042831187.db2.gz BCRHVZIBFIIZPF-OAHLLOKOSA-N -1 0 345.349 3.799 20 0 EHADRM CCSc1nnc(NC(=O)c2csc(CC(C)C)n2)s1 ZINC000343927181 1042852697 /nfs/dbraw/zinc/85/26/97/1042852697.db2.gz VNSLHGBTVGVPNW-UHFFFAOYSA-N -1 0 328.488 3.557 20 0 EHADRM CCCCCOc1cc(C)ccc1CN=c1[n-]nc(C(F)F)o1 ZINC000432322527 1042883842 /nfs/dbraw/zinc/88/38/42/1042883842.db2.gz ZRMVKOUWIBILRV-UHFFFAOYSA-N -1 0 325.359 3.919 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1cccc(SC(F)F)c1 ZINC000066966074 1042895181 /nfs/dbraw/zinc/89/51/81/1042895181.db2.gz ZDHCPKFLYYMXDF-NWDGAFQWSA-N -1 0 327.352 3.607 20 0 EHADRM CC(C)(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000604305934 1042905512 /nfs/dbraw/zinc/90/55/12/1042905512.db2.gz QUBTXWYUWQAZHS-UHFFFAOYSA-N -1 0 347.436 3.600 20 0 EHADRM Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2Cl)c(C)s1 ZINC000071392870 1042911321 /nfs/dbraw/zinc/91/13/21/1042911321.db2.gz MPXLPJHPYSKLBR-UHFFFAOYSA-N -1 0 345.829 3.517 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1sc2ccccc2c1Cl ZINC000317120163 1042928692 /nfs/dbraw/zinc/92/86/92/1042928692.db2.gz SHQYFERXUNMAIR-MEDUHNTESA-N -1 0 337.828 3.928 20 0 EHADRM FC(F)c1n[n-]c(=NCCSCc2cccc3ccccc32)o1 ZINC000432348172 1042983601 /nfs/dbraw/zinc/98/36/01/1042983601.db2.gz QYPVNAJSGYFVKF-UHFFFAOYSA-N -1 0 335.379 3.928 20 0 EHADRM C[C@@]1(CNC(=O)c2ccc(C(=O)[O-])cc2F)CCCc2ccccc21 ZINC000432132522 1043013491 /nfs/dbraw/zinc/01/34/91/1043013491.db2.gz DEELYPRYCSWZPF-FQEVSTJZSA-N -1 0 341.382 3.548 20 0 EHADRM Cc1ccc(C)c(C(=O)Nc2sc3c(c2C#N)CCC3)c1C(=O)[O-] ZINC000326003961 1043400421 /nfs/dbraw/zinc/40/04/21/1043400421.db2.gz NLRVLGYREQNIHF-UHFFFAOYSA-N -1 0 340.404 3.676 20 0 EHADRM COc1ccc(-c2cc3[n-]c(-c4cscn4)nc(=O)c3s2)cc1 ZINC000432507752 1043624208 /nfs/dbraw/zinc/62/42/08/1043624208.db2.gz VHVPAAAGJKOFPU-UHFFFAOYSA-N -1 0 341.417 3.784 20 0 EHADRM CC(C)Cc1ccc(C(=O)CSc2n[n-]c(=NC3CC3)s2)cc1 ZINC000613973328 1043744676 /nfs/dbraw/zinc/74/46/76/1043744676.db2.gz WNIFYJLMRUIADK-UHFFFAOYSA-N -1 0 347.509 3.708 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccc(F)cc1F ZINC000344795361 1044430477 /nfs/dbraw/zinc/43/04/77/1044430477.db2.gz RGZVAWDXWXLRER-OAHLLOKOSA-N -1 0 348.349 3.575 20 0 EHADRM O=C(NC1(CCOCc2ccccc2)CC1)c1ccc([O-])c(Cl)c1 ZINC000436710639 1044489126 /nfs/dbraw/zinc/48/91/26/1044489126.db2.gz WXWPKEPVZKOMFR-UHFFFAOYSA-N -1 0 345.826 3.915 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000261603366 1044548658 /nfs/dbraw/zinc/54/86/58/1044548658.db2.gz CBUPICIISRQLPY-UHFFFAOYSA-N -1 0 327.424 3.859 20 0 EHADRM O=C(Nc1cc(C(F)(F)F)ccn1)c1cc(F)c([O-])c(Cl)c1 ZINC000437000037 1044635570 /nfs/dbraw/zinc/63/55/70/1044635570.db2.gz HPVRBAPBANMXOU-UHFFFAOYSA-N -1 0 334.656 3.851 20 0 EHADRM CCS[C@@H]1CCC[C@@H]1Nc1ncnc2sc(C(=O)[O-])c(C)c21 ZINC000318790433 1044874413 /nfs/dbraw/zinc/87/44/13/1044874413.db2.gz FUFHUCPMQVFENI-VHSXEESVSA-N -1 0 337.470 3.784 20 0 EHADRM CC1(CNS(=O)(=O)c2cc(Cl)c(Cl)cc2F)CCC1 ZINC001201275936 1136002865 /nfs/dbraw/zinc/00/28/65/1136002865.db2.gz GSXHENYTQVFKLU-UHFFFAOYSA-N -1 0 326.220 3.601 20 0 EHADRM CCCc1ccccc1[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000620475686 1125580705 /nfs/dbraw/zinc/58/07/05/1125580705.db2.gz CVKNYLISRSWCLP-UHFFFAOYSA-N -1 0 341.436 3.626 20 0 EHADRM Cc1c(Cl)cc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1Cl ZINC000620511396 1125587190 /nfs/dbraw/zinc/58/71/90/1125587190.db2.gz UGXCFMQBTALCLG-QWRGUYRKSA-N -1 0 328.195 3.907 20 0 EHADRM Cc1cccc2c1CCC[C@H]2NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000620679560 1125631181 /nfs/dbraw/zinc/63/11/81/1125631181.db2.gz YDSBTOYZNAWYFC-CQSZACIVSA-N -1 0 335.325 3.925 20 0 EHADRM CN(C[C@@H]1CCc2ccccc21)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000620685963 1125644482 /nfs/dbraw/zinc/64/44/82/1125644482.db2.gz AWCLVYRNEJMNSX-NSHDSACASA-N -1 0 335.325 3.612 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCC2(C=Cc3ccccc3O2)CC1 ZINC000620720977 1125673503 /nfs/dbraw/zinc/67/35/03/1125673503.db2.gz ZGPQGFNZWSJSLI-UHFFFAOYSA-N -1 0 339.366 3.612 20 0 EHADRM O=C(Cc1c[nH]c2ncccc12)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000154724639 1125752362 /nfs/dbraw/zinc/75/23/62/1125752362.db2.gz RVDBIBSYTZKRMW-UHFFFAOYSA-N -1 0 336.178 3.757 20 0 EHADRM CC(C)(C)c1coc(CN[C@H](Cc2cc3ccccc3o2)C(=O)[O-])n1 ZINC001603548777 1126227463 /nfs/dbraw/zinc/22/74/63/1126227463.db2.gz ATMBLLIVZCCLKY-CQSZACIVSA-N -1 0 342.395 3.504 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)C[C@]2(C(=O)[O-])CCSC2)c2ccccc21 ZINC000622602476 1126728100 /nfs/dbraw/zinc/72/81/00/1126728100.db2.gz MWDSBCDKGMDTTC-DNVCBOLYSA-N -1 0 347.480 3.513 20 0 EHADRM CCN(CCOc1ccccc1C)C(=O)c1ccc([O-])c(Cl)c1 ZINC000622726626 1126756321 /nfs/dbraw/zinc/75/63/21/1126756321.db2.gz ISWRJLNSRONYBZ-UHFFFAOYSA-N -1 0 333.815 3.895 20 0 EHADRM COc1cccc(CO[C@@H](C)C(=O)Nc2cccc(Cl)c2[O-])c1 ZINC000172112196 1126780949 /nfs/dbraw/zinc/78/09/49/1126780949.db2.gz QJACEAWUEXNUCB-NSHDSACASA-N -1 0 335.787 3.598 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1Cl ZINC000336849701 1126811740 /nfs/dbraw/zinc/81/17/40/1126811740.db2.gz SVILMWIPTMSANQ-WQAKAFBOSA-N -1 0 342.222 3.851 20 0 EHADRM CSc1cccc(C)c1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000185333843 1126871251 /nfs/dbraw/zinc/87/12/51/1126871251.db2.gz DLSJEGWHPNOUGA-UHFFFAOYSA-N -1 0 328.846 3.566 20 0 EHADRM C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC000623207636 1126896413 /nfs/dbraw/zinc/89/64/13/1126896413.db2.gz YQIBVHLZWAKMQR-XVKPBYJWSA-N -1 0 340.210 3.727 20 0 EHADRM COc1ccc(CNC(=O)c2ccc3[n-]c(=S)oc3c2)cc1F ZINC000072883926 1126911320 /nfs/dbraw/zinc/91/13/20/1126911320.db2.gz RVPUBMLFPYRXSY-UHFFFAOYSA-N -1 0 332.356 3.568 20 0 EHADRM O=C(OCc1ccn(C2CCCC2)n1)c1cc(Cl)c(Cl)[nH]1 ZINC000763909149 1126932930 /nfs/dbraw/zinc/93/29/30/1126932930.db2.gz LGGVQWIYLQNISW-UHFFFAOYSA-N -1 0 328.199 3.990 20 0 EHADRM CCc1cc(=O)[nH]c(CN[C@H](c2ccccc2F)C2CCCC2)n1 ZINC000181490496 1127279478 /nfs/dbraw/zinc/27/94/78/1127279478.db2.gz VBZRILYKRLJCFY-IBGZPJMESA-N -1 0 329.419 3.905 20 0 EHADRM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000325118970 1127349757 /nfs/dbraw/zinc/34/97/57/1127349757.db2.gz RIYNDLQQVDSSHN-MQGYJPLLSA-N -1 0 345.782 3.844 20 0 EHADRM CC[C@@H]([N-]S(=O)(=O)[C@H](C)C(F)(F)F)C(C)(C)c1ccccc1 ZINC000184569749 1127409012 /nfs/dbraw/zinc/40/90/12/1127409012.db2.gz OOBLEPNXSMMUFP-DGCLKSJQSA-N -1 0 337.407 3.613 20 0 EHADRM Cc1cc(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)c(Cl)cc1F ZINC000193105585 1127433283 /nfs/dbraw/zinc/43/32/83/1127433283.db2.gz NDUWDIGNUDGITL-SFHVURJKSA-N -1 0 349.789 3.560 20 0 EHADRM Cc1noc(C(C)C)c1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000901765088 1127439247 /nfs/dbraw/zinc/43/92/47/1127439247.db2.gz UVHCNVGIQFZTSM-UHFFFAOYSA-N -1 0 328.821 3.869 20 0 EHADRM CC(C)(C)SCCNC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1 ZINC000764411865 1127490297 /nfs/dbraw/zinc/49/02/97/1127490297.db2.gz AOIQCUKEARJEDG-QGZVFWFLSA-N -1 0 329.506 3.696 20 0 EHADRM O=C([O-])c1ccccc1COc1cccc(C=Cc2nccc(=O)[nH]2)c1 ZINC000764434600 1127493741 /nfs/dbraw/zinc/49/37/41/1127493741.db2.gz KPQSSIUUFFZTBO-CMDGGOBGSA-N -1 0 348.358 3.630 20 0 EHADRM CN(C)c1cc(C(=O)Nc2cccc(Cl)c2[O-])c2ccccc2n1 ZINC000542648361 1127580257 /nfs/dbraw/zinc/58/02/57/1127580257.db2.gz FNSMLVAAOIZQSJ-UHFFFAOYSA-N -1 0 341.798 3.912 20 0 EHADRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cccc3c[nH]nc32)c(C)c1C ZINC000024425373 1127706104 /nfs/dbraw/zinc/70/61/04/1127706104.db2.gz DENFYOJEHJLENA-UHFFFAOYSA-N -1 0 343.452 3.906 20 0 EHADRM CSc1ccncc1[N-]S(=O)(=O)c1csc2ccccc21 ZINC000671668049 1127795063 /nfs/dbraw/zinc/79/50/63/1127795063.db2.gz FJQGAJXBCGZZNI-UHFFFAOYSA-N -1 0 336.463 3.819 20 0 EHADRM O=S(=O)(Cc1ccccc1)[N-]c1csc(-c2ccccc2)n1 ZINC000671669683 1127808599 /nfs/dbraw/zinc/80/85/99/1127808599.db2.gz GUMBPJXXAHBIHF-UHFFFAOYSA-N -1 0 330.434 3.752 20 0 EHADRM Cc1ccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)c2cccnc12 ZINC000043506897 1127921478 /nfs/dbraw/zinc/92/14/78/1127921478.db2.gz BRGUZIUHXIYXSD-UHFFFAOYSA-N -1 0 329.359 3.637 20 0 EHADRM Cc1cccc([C@@H]2CCCN2Cc2c([O-])nnn2-c2ccccc2)c1 ZINC000057091268 1128036996 /nfs/dbraw/zinc/03/69/96/1128036996.db2.gz RSXUTHROOQWRED-SFHVURJKSA-N -1 0 334.423 3.618 20 0 EHADRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(ccn2CC(C)C)c1 ZINC000063476066 1128145544 /nfs/dbraw/zinc/14/55/44/1128145544.db2.gz VZLUPCUJJPIAIH-UHFFFAOYSA-N -1 0 347.440 3.703 20 0 EHADRM CC1(C(=O)[O-])CC[NH+](Cc2ccc(Cl)cc2Br)CC1 ZINC000126813661 1128205486 /nfs/dbraw/zinc/20/54/86/1128205486.db2.gz UQVJTQYOHNQIPG-UHFFFAOYSA-N -1 0 346.652 3.789 20 0 EHADRM CC(C)c1ccccc1NC(=S)N[N-]C(=O)c1c(F)cccc1F ZINC000084388409 1128230934 /nfs/dbraw/zinc/23/09/34/1128230934.db2.gz PDPYLDQOUBHYQY-UHFFFAOYSA-N -1 0 349.406 3.720 20 0 EHADRM CSCCc1ccc(NC(=O)CC2(C(=O)[O-])CCCCC2)cc1 ZINC000069164626 1128283184 /nfs/dbraw/zinc/28/31/84/1128283184.db2.gz MKNDVPJEJIUZDJ-UHFFFAOYSA-N -1 0 335.469 3.956 20 0 EHADRM Cc1ccc(-c2nsc([N-]C(=O)c3cc(C(C)C)no3)n2)s1 ZINC000070839394 1128296274 /nfs/dbraw/zinc/29/62/74/1128296274.db2.gz LBCXYFJBEIUYBC-UHFFFAOYSA-N -1 0 334.426 3.939 20 0 EHADRM Cc1ccccc1-c1nc(=NCc2c(C3CCC3)cnn2C)s[n-]1 ZINC000624401709 1128351808 /nfs/dbraw/zinc/35/18/08/1128351808.db2.gz MFHQDQDKAICQHO-UHFFFAOYSA-N -1 0 339.468 3.549 20 0 EHADRM Cc1cccc([C@H](N=c2nc(C3CCOCC3)[n-]s2)C(C)C)c1 ZINC000624641223 1128414864 /nfs/dbraw/zinc/41/48/64/1128414864.db2.gz HMVPZXWWDWNKIF-MRXNPFEDSA-N -1 0 331.485 3.972 20 0 EHADRM O=C([N-]S(=O)(=O)CC1CC1)c1cccc(Oc2ccccc2)c1 ZINC000073539498 1128395816 /nfs/dbraw/zinc/39/58/16/1128395816.db2.gz RIEYMXPXDNLESM-UHFFFAOYSA-N -1 0 331.393 3.523 20 0 EHADRM OCC[C@H](N=c1[n-]nc(C2CC2)s1)c1cc(Cl)cc(Cl)c1 ZINC000624722328 1128497949 /nfs/dbraw/zinc/49/79/49/1128497949.db2.gz QVZMATGVFWCIIS-LBPRGKRZSA-N -1 0 344.267 3.680 20 0 EHADRM CCC[C@@H](NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655859566 1128509245 /nfs/dbraw/zinc/50/92/45/1128509245.db2.gz MWJPGTBZEUUYOR-QMCVQRASSA-N -1 0 346.471 3.962 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1C ZINC000655869614 1128513787 /nfs/dbraw/zinc/51/37/87/1128513787.db2.gz HGRNNCIWKGAVRK-TXCZRRACSA-N -1 0 346.471 3.799 20 0 EHADRM CC1(C)C[C@@H](N=c2[n-]nc(C3CCOCC3)s2)c2ccccc21 ZINC000338680856 1128514236 /nfs/dbraw/zinc/51/42/36/1128514236.db2.gz HKMYMPDEDYCKOE-OAHLLOKOSA-N -1 0 329.469 3.689 20 0 EHADRM Cc1cccc(CO[N-]C(=O)[C@@H](C)Oc2cccc3ccccc32)n1 ZINC001168635066 1128520147 /nfs/dbraw/zinc/52/01/47/1128520147.db2.gz XSTMVJCWDQKOFW-OAHLLOKOSA-N -1 0 336.391 3.559 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)F)c(F)c1 ZINC000404968620 1128704333 /nfs/dbraw/zinc/70/43/33/1128704333.db2.gz JWBDZOBOJZGVCM-UHFFFAOYSA-N -1 0 331.315 3.536 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc([O-])c(Cl)c2)[C@H](c2ccccc2)CO1 ZINC000086337377 1120103588 /nfs/dbraw/zinc/10/35/88/1120103588.db2.gz OMBXZTWFOQQUTJ-WBMJQRKESA-N -1 0 331.799 3.648 20 0 EHADRM Cc1ccc(C(N)=O)cc1NCc1cc(Cl)cc(Cl)c1[O-] ZINC000160015740 1120198328 /nfs/dbraw/zinc/19/83/28/1120198328.db2.gz ACKAVIVKDAQUPD-UHFFFAOYSA-N -1 0 325.195 3.718 20 0 EHADRM N#Cc1cccc(S(=O)(=O)[N-]c2cnc3c(Cl)cccc3c2)c1 ZINC000148793537 1120245812 /nfs/dbraw/zinc/24/58/12/1120245812.db2.gz PYEXTLNZADWDNV-UHFFFAOYSA-N -1 0 343.795 3.561 20 0 EHADRM CC[C@H](NCc1cc2ccccc2c(OC)c1)c1nc(C(=O)[O-])c[nH]1 ZINC000904065429 1120351326 /nfs/dbraw/zinc/35/13/26/1120351326.db2.gz QIWZBYQBHHFSJK-HNNXBMFYSA-N -1 0 339.395 3.511 20 0 EHADRM CC[C@@H](NCc1c(OC)ccc2ccccc21)c1nc(C(=O)[O-])c[nH]1 ZINC000904064493 1120351474 /nfs/dbraw/zinc/35/14/74/1120351474.db2.gz JXSGZGLSNCBAFM-OAHLLOKOSA-N -1 0 339.395 3.511 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2c(C)cccc2O)cc1Cl ZINC000184864786 1120390654 /nfs/dbraw/zinc/39/06/54/1120390654.db2.gz NQERHZRGQCNEBK-UHFFFAOYSA-N -1 0 343.857 3.877 20 0 EHADRM O=S(=O)(Nc1cc(Cl)ccc1F)c1c[nH]c2cccc(F)c21 ZINC000185173724 1120402564 /nfs/dbraw/zinc/40/25/64/1120402564.db2.gz GKMHWVANEFTTQA-UHFFFAOYSA-N -1 0 342.754 3.900 20 0 EHADRM CCCCOc1ccc(NC(=O)c2cc(F)c(F)c([O-])c2F)cn1 ZINC000187285361 1120492539 /nfs/dbraw/zinc/49/25/39/1120492539.db2.gz HQTRGADHCQDLIB-UHFFFAOYSA-N -1 0 340.301 3.636 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1cn(-c2ccccc2)nc1C ZINC000187630576 1120505960 /nfs/dbraw/zinc/50/59/60/1120505960.db2.gz OFIVKFAQYCPQJU-UHFFFAOYSA-N -1 0 341.436 3.544 20 0 EHADRM CC(C)CC[C@@H]1CCCN1C(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000494227162 1120507396 /nfs/dbraw/zinc/50/73/96/1120507396.db2.gz MQXOMQGYUGGDJO-LBPRGKRZSA-N -1 0 334.445 3.653 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)C[C@H](C)Cc1ccc(Cl)cc1 ZINC000761650788 1120712007 /nfs/dbraw/zinc/71/20/07/1120712007.db2.gz MZRPERHFRZVXNE-PXAZEXFGSA-N -1 0 325.836 3.668 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)Cc1csc2ccc(Cl)cc12 ZINC000761656336 1120732966 /nfs/dbraw/zinc/73/29/66/1120732966.db2.gz ZUQXVPBLNHZJAN-INIZCTEOSA-N -1 0 339.844 3.857 20 0 EHADRM C[C@@H](CN(C)C(=O)c1cc(O)c2ccccc2c1)c1nccs1 ZINC000355801990 1128936660 /nfs/dbraw/zinc/93/66/60/1128936660.db2.gz GRLRKPYSWRHUCR-LBPRGKRZSA-N -1 0 326.421 3.878 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000761665870 1120768794 /nfs/dbraw/zinc/76/87/94/1120768794.db2.gz UOCJMOXBDWOFNB-JTQLQIEISA-N -1 0 335.762 3.995 20 0 EHADRM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000195439253 1120784292 /nfs/dbraw/zinc/78/42/92/1120784292.db2.gz OHPWLUKSBHVDNH-UHFFFAOYSA-N -1 0 327.352 3.706 20 0 EHADRM CC1(C)CCC(=CC(=O)NC[C@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC000761699247 1120826602 /nfs/dbraw/zinc/82/66/02/1120826602.db2.gz QERRBEWBCZGSLY-KRWDZBQOSA-N -1 0 329.440 3.573 20 0 EHADRM O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(F)c(F)c1F ZINC000465452741 1120891812 /nfs/dbraw/zinc/89/18/12/1120891812.db2.gz FUSLHEYRVLEJOE-UHFFFAOYSA-N -1 0 335.310 3.875 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)C2(c3ccc(F)cc3)CCC2)cc1 ZINC000914731352 1120966674 /nfs/dbraw/zinc/96/66/74/1120966674.db2.gz ZHOXHMKDJFELSJ-WCIBSUBMSA-N -1 0 339.366 3.984 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C1CCCCCCC1)c1ccc(F)cc1F ZINC000761834317 1120979556 /nfs/dbraw/zinc/97/95/56/1120979556.db2.gz IBYLWIZVHDEGBH-INIZCTEOSA-N -1 0 339.382 3.957 20 0 EHADRM CC(C)n1ncc2cc(NC(=O)c3ccc(Cl)cc3[O-])cnc21 ZINC000648750945 1120981945 /nfs/dbraw/zinc/98/19/45/1120981945.db2.gz NBTRCXKPURYABI-UHFFFAOYSA-N -1 0 330.775 3.624 20 0 EHADRM CCCCC[C@H](NC(=O)c1ccnc(Oc2ccccc2)c1)C(=O)[O-] ZINC000761846701 1120986266 /nfs/dbraw/zinc/98/62/66/1120986266.db2.gz PXWPVRPVAJWANN-INIZCTEOSA-N -1 0 342.395 3.637 20 0 EHADRM CC(C)(C)OC(=O)NCCCCC(=O)Nc1cccc(Cl)c1[O-] ZINC000495218758 1120994063 /nfs/dbraw/zinc/99/40/63/1120994063.db2.gz CSYFYYSDWIILKV-UHFFFAOYSA-N -1 0 342.823 3.679 20 0 EHADRM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000761887522 1121002350 /nfs/dbraw/zinc/00/23/50/1121002350.db2.gz USMOUTAEBCPFKI-UHFFFAOYSA-N -1 0 337.828 3.960 20 0 EHADRM C[C@H](CNC(=O)c1cc(-c2ccccc2)nc2ccccc21)CC(=O)[O-] ZINC000761979605 1121023369 /nfs/dbraw/zinc/02/33/69/1121023369.db2.gz UUGPRZKDSHEBHS-AWEZNQCLSA-N -1 0 348.402 3.742 20 0 EHADRM O=S(=O)([N-][C@H]1CCCC1(F)F)c1c(Cl)cc(F)cc1Cl ZINC000672429328 1128976708 /nfs/dbraw/zinc/97/67/08/1128976708.db2.gz GWLZNIGWIKZMBR-VIFPVBQESA-N -1 0 348.173 3.599 20 0 EHADRM CC(C)CO[N-]C(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000153604965 1121397747 /nfs/dbraw/zinc/39/77/47/1121397747.db2.gz ROJVJDQKUIEDSP-UHFFFAOYSA-N -1 0 330.862 3.771 20 0 EHADRM O=C([N-]CCCSc1ccc(Br)cc1)C(F)(F)F ZINC000762758120 1121435019 /nfs/dbraw/zinc/43/50/19/1121435019.db2.gz WTDDAVVKEDVDHQ-UHFFFAOYSA-N -1 0 342.180 3.610 20 0 EHADRM O=C(c1c([O-])cc(F)cc1F)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000077108451 1128989757 /nfs/dbraw/zinc/98/97/57/1128989757.db2.gz WIOUAMOCIIBGQT-LBPRGKRZSA-N -1 0 335.325 3.514 20 0 EHADRM O=C(OCc1cc2ccccc2[nH]c1=O)c1ccc([O-])c(Cl)c1 ZINC000762832970 1121453761 /nfs/dbraw/zinc/45/37/61/1121453761.db2.gz YMYQBJXDYHILJR-UHFFFAOYSA-N -1 0 329.739 3.656 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1ccccc1Cc1ccccc1)C(=O)[O-] ZINC000236594120 1121457823 /nfs/dbraw/zinc/45/78/23/1121457823.db2.gz QELFYNKJVBVXLO-GOSISDBHSA-N -1 0 325.408 3.507 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)N[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000236598299 1121457999 /nfs/dbraw/zinc/45/79/99/1121457999.db2.gz GWLGUPCLOPONGX-OAHLLOKOSA-N -1 0 331.437 3.953 20 0 EHADRM CC(C)COc1cccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1 ZINC000236724976 1121461128 /nfs/dbraw/zinc/46/11/28/1121461128.db2.gz ACHYJMJURXYFAB-WBAXXEDZSA-N -1 0 345.439 3.579 20 0 EHADRM CCC(CC)(CNC(=O)CCSc1ccc(Cl)cc1)C(=O)[O-] ZINC000236835298 1121465483 /nfs/dbraw/zinc/46/54/83/1121465483.db2.gz FZMKTTAEJWDZAI-UHFFFAOYSA-N -1 0 343.876 3.829 20 0 EHADRM CSc1ccc(C)c(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1 ZINC000262466420 1121466873 /nfs/dbraw/zinc/46/68/73/1121466873.db2.gz IXTZKRDEEWOHTE-WQVCFCJDSA-N -1 0 333.453 3.575 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000236915895 1121468343 /nfs/dbraw/zinc/46/83/43/1121468343.db2.gz ZZXVVQRRIABRTE-WCQGTBRESA-N -1 0 344.238 3.809 20 0 EHADRM CSc1ccc(C)c(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000237313765 1121479200 /nfs/dbraw/zinc/47/92/00/1121479200.db2.gz NKNMLPYWWDZLQV-UHFFFAOYSA-N -1 0 329.421 3.687 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000238066409 1121501793 /nfs/dbraw/zinc/50/17/93/1121501793.db2.gz PRDOALGVDLBDRL-UHFFFAOYSA-N -1 0 327.424 3.859 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)CCc2c[nH]c3ccccc23)c1 ZINC000238144065 1121503693 /nfs/dbraw/zinc/50/36/93/1121503693.db2.gz JSZYXWAQYLKYAN-UHFFFAOYSA-N -1 0 326.327 3.577 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)s1 ZINC000243291722 1121785968 /nfs/dbraw/zinc/78/59/68/1121785968.db2.gz LDRWUVLANPENRH-UHFFFAOYSA-N -1 0 325.455 3.899 20 0 EHADRM CC(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000055590385 1121843121 /nfs/dbraw/zinc/84/31/21/1121843121.db2.gz MIDBBUQABVYDKV-UHFFFAOYSA-N -1 0 345.342 3.692 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000496351950 1122056741 /nfs/dbraw/zinc/05/67/41/1122056741.db2.gz XZTIXHZLMWMOTE-UHFFFAOYSA-N -1 0 339.848 3.562 20 0 EHADRM COC[C@H](C)CC(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000496897177 1122206921 /nfs/dbraw/zinc/20/69/21/1122206921.db2.gz LXMUXSAUNUFQJK-ZCFIWIBFSA-N -1 0 326.607 3.964 20 0 EHADRM Cc1ccc(O)c([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000037746325 1122237058 /nfs/dbraw/zinc/23/70/58/1122237058.db2.gz VBWFJYBALBJFNH-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM O=C([N-]S(=O)(=O)c1cccc(Cl)c1)c1ccc2ccccc2c1 ZINC000916771856 1122350352 /nfs/dbraw/zinc/35/03/52/1122350352.db2.gz MLTMBEJOOKCDKX-UHFFFAOYSA-N -1 0 345.807 3.612 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccccc1Cl)c1ccc2ccccc2c1 ZINC000916797521 1122354464 /nfs/dbraw/zinc/35/44/64/1122354464.db2.gz OUIOYEADPWPYDR-UHFFFAOYSA-N -1 0 345.807 3.612 20 0 EHADRM Cc1c(C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)cnn1C ZINC000127684338 1122502023 /nfs/dbraw/zinc/50/20/23/1122502023.db2.gz YVJIDNNZVLZTLS-UHFFFAOYSA-N -1 0 334.590 3.647 20 0 EHADRM O=C([O-])c1cnc(C=Cc2ccc(-c3ccc(Cl)cc3)o2)[nH]c1=O ZINC000670369778 1122580221 /nfs/dbraw/zinc/58/02/21/1122580221.db2.gz AXQBMGHOKYUJTJ-SOFGYWHQSA-N -1 0 342.738 3.964 20 0 EHADRM O=C([O-])c1ccc2c(c1)[nH]nc2-c1nc2c(cccc2F)n1C1CC1 ZINC000497839525 1122679449 /nfs/dbraw/zinc/67/94/49/1122679449.db2.gz NODWXZHXLQTZQE-UHFFFAOYSA-N -1 0 336.326 3.752 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)s1 ZINC000497961203 1122712930 /nfs/dbraw/zinc/71/29/30/1122712930.db2.gz UJIHLVGAOATLKH-UHFFFAOYSA-N -1 0 337.466 3.900 20 0 EHADRM COc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C)ccc1Cl ZINC000498010922 1122725940 /nfs/dbraw/zinc/72/59/40/1122725940.db2.gz DVFWMEPFWBRXDD-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccccc2)cn1)c1cccc(F)c1 ZINC000069676242 1122810724 /nfs/dbraw/zinc/81/07/24/1122810724.db2.gz QNDBURQYMGVPPR-UHFFFAOYSA-N -1 0 328.368 3.689 20 0 EHADRM C[C@H](C1CC1)n1cc([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)cn1 ZINC000556263108 1122904572 /nfs/dbraw/zinc/90/45/72/1122904572.db2.gz BNRLPFMZLGLYGL-SNVBAGLBSA-N -1 0 349.387 3.540 20 0 EHADRM Cc1c2cc3c(cc2nc2c1C[C@@H](C(=O)[O-])c1ccccc1-2)OCO3 ZINC000556275483 1122912631 /nfs/dbraw/zinc/91/26/31/1122912631.db2.gz CEHOJPCVJVNLCI-OAHLLOKOSA-N -1 0 333.343 3.663 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)CC1(C(=O)[O-])CCCC1 ZINC000037494182 1122926375 /nfs/dbraw/zinc/92/63/75/1122926375.db2.gz FSNTYNYSQXGZTQ-UHFFFAOYSA-N -1 0 329.849 3.785 20 0 EHADRM CC(C)(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1F ZINC000498503844 1122954037 /nfs/dbraw/zinc/95/40/37/1122954037.db2.gz GVRXIZNUYDNLFV-UHFFFAOYSA-N -1 0 341.379 3.943 20 0 EHADRM C[C@H](CC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-])Cc1cccc(F)c1 ZINC000262841880 1122995531 /nfs/dbraw/zinc/99/55/31/1122995531.db2.gz RKHGCQGLRAOATG-CRFBAAHOSA-N -1 0 335.419 3.544 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)C[C@H](C)c1ccc(F)cc1F ZINC000262915011 1123089453 /nfs/dbraw/zinc/08/94/53/1123089453.db2.gz HZLHAQFMMYSDRS-NSHDSACASA-N -1 0 327.371 3.608 20 0 EHADRM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)cc(F)c2)c1 ZINC000155020397 1123089734 /nfs/dbraw/zinc/08/97/34/1123089734.db2.gz VSDSGZAADBWTAJ-UHFFFAOYSA-N -1 0 341.791 3.791 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)NCc1cccc(F)c1 ZINC000556710570 1123090381 /nfs/dbraw/zinc/09/03/81/1123090381.db2.gz WAOQQNOQISSRRJ-KRWDZBQOSA-N -1 0 344.386 3.573 20 0 EHADRM Clc1cccc([C@H]2CC[C@@H](N=c3[n-]c(C4CCOCC4)no3)C2)c1 ZINC000556846880 1123152630 /nfs/dbraw/zinc/15/26/30/1123152630.db2.gz WKCKFGSSVNFVJA-GOEBONIOSA-N -1 0 347.846 3.787 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000920789112 1123423614 /nfs/dbraw/zinc/42/36/14/1123423614.db2.gz SGPSWWPTPFWJKH-GDBMZVCRSA-N -1 0 349.496 3.587 20 0 EHADRM O=S(=O)([N-]c1ccc2oc(C(F)(F)F)nc2c1)c1cccs1 ZINC000920927209 1123437364 /nfs/dbraw/zinc/43/73/64/1123437364.db2.gz VKUBKYHBTDLDCR-UHFFFAOYSA-N -1 0 348.327 3.709 20 0 EHADRM CN(Cc1ccc(OC(F)F)cc1)C(=O)c1c([O-])cc(F)cc1F ZINC000066042036 1129124289 /nfs/dbraw/zinc/12/42/89/1129124289.db2.gz JLDZADOZVCPBCT-UHFFFAOYSA-N -1 0 343.276 3.544 20 0 EHADRM COc1ccc([C@@H](NC(=O)c2c([O-])cc(F)cc2F)C2CC2)cc1 ZINC000066044381 1129125570 /nfs/dbraw/zinc/12/55/70/1129125570.db2.gz SOBPDEVLAXKTRY-KRWDZBQOSA-N -1 0 333.334 3.560 20 0 EHADRM CCC[C@@H](NC(=O)C[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000013468011 1129125619 /nfs/dbraw/zinc/12/56/19/1129125619.db2.gz FCYWJCLKAQZVLR-QZTJIDSGSA-N -1 0 325.408 3.903 20 0 EHADRM Cc1cc(C(=O)N(C)CCC2CCCCC2)cc(C)c1OCC(=O)[O-] ZINC000237245857 1123502784 /nfs/dbraw/zinc/50/27/84/1123502784.db2.gz BCMSGEHKTZXFDK-UHFFFAOYSA-N -1 0 347.455 3.809 20 0 EHADRM C[C@H](CC(=O)Nc1cc(C(=O)[O-])ccc1F)Cc1cccc(F)c1 ZINC000237414858 1123517571 /nfs/dbraw/zinc/51/75/71/1123517571.db2.gz VQGNIXLSMMLRNO-NSHDSACASA-N -1 0 333.334 3.870 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(Cl)c2O)c1 ZINC000076937849 1123525891 /nfs/dbraw/zinc/52/58/91/1123525891.db2.gz BGJWVNGPVRDIRI-UHFFFAOYSA-N -1 0 348.207 3.508 20 0 EHADRM O=C(Cc1csc(-c2cccnc2)n1)Nc1cccc(Cl)c1[O-] ZINC000077012632 1123529666 /nfs/dbraw/zinc/52/96/66/1123529666.db2.gz ICPXHRYTPVDZKX-UHFFFAOYSA-N -1 0 345.811 3.745 20 0 EHADRM Cn1c2ccccc2c(Cl)c1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000237724162 1123534305 /nfs/dbraw/zinc/53/43/05/1123534305.db2.gz MDJRZFNNLOOBOG-UHFFFAOYSA-N -1 0 346.745 3.921 20 0 EHADRM Cc1cccc(OCC(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)c1 ZINC000237763325 1123537428 /nfs/dbraw/zinc/53/74/28/1123537428.db2.gz VGPJMSYAOVEHBG-UHFFFAOYSA-N -1 0 341.388 3.925 20 0 EHADRM Cc1ccc(-c2nc(C(=O)NCCCCCC(=O)[O-])cs2)c(C)c1 ZINC000237807893 1123540697 /nfs/dbraw/zinc/54/06/97/1123540697.db2.gz SFSOIPLLTGTFKL-UHFFFAOYSA-N -1 0 346.452 3.802 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC[C@@H](c2ccccn2)C1 ZINC000615259803 1123766080 /nfs/dbraw/zinc/76/60/80/1123766080.db2.gz PUQATAPHEDYZQH-LLVKDONJSA-N -1 0 334.778 3.600 20 0 EHADRM O=C(Nc1c(=O)[nH][n-]c1-c1ccccc1)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000615280479 1123771026 /nfs/dbraw/zinc/77/10/26/1123771026.db2.gz FBZLMFNDLFSLKY-QWRGUYRKSA-N -1 0 339.317 3.699 20 0 EHADRM CC[C@@H](CC(F)(F)F)C(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000615282207 1123771255 /nfs/dbraw/zinc/77/12/55/1123771255.db2.gz ZVAYFJGGWXUYDS-VIFPVBQESA-N -1 0 327.306 3.699 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cnn(CCC(C)C)c2C)c(C)s1 ZINC000137792975 1123776801 /nfs/dbraw/zinc/77/68/01/1123776801.db2.gz LPJXVVASVUDVIT-UHFFFAOYSA-N -1 0 341.502 3.717 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(C)c(C)c2)cnn1CCC(C)C ZINC000137794768 1123776862 /nfs/dbraw/zinc/77/68/62/1123776862.db2.gz VSZKZJMMNKDODO-UHFFFAOYSA-N -1 0 335.473 3.655 20 0 EHADRM COc1ccc([C@H]2CCCCCN2C(=O)CCCCC(=O)[O-])cc1 ZINC000263327028 1123809916 /nfs/dbraw/zinc/80/99/16/1123809916.db2.gz SZZLBBAPCFDKAX-QGZVFWFLSA-N -1 0 333.428 3.784 20 0 EHADRM CC(=O)[C@@H]1CCCCN1C(=O)c1cc(Oc2ccccc2)ccc1O ZINC000615575032 1123829298 /nfs/dbraw/zinc/82/92/98/1123829298.db2.gz FDFWRNBPXQJFGE-SFHVURJKSA-N -1 0 339.391 3.768 20 0 EHADRM Cc1cc2[nH]c(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)cc2c(C)c1 ZINC000237772917 1123847181 /nfs/dbraw/zinc/84/71/81/1123847181.db2.gz MNOZUTVCAHRSRN-KKXDTOCCSA-N -1 0 340.423 3.643 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2[C@@H](C)CCC2(C)C)n1 ZINC000616178831 1123958526 /nfs/dbraw/zinc/95/85/26/1123958526.db2.gz HAQMFWIFEFRWDR-ZDUSSCGKSA-N -1 0 327.428 3.543 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)c2sccc2OC(F)F)cc1 ZINC000238152911 1123992839 /nfs/dbraw/zinc/99/28/39/1123992839.db2.gz RMJVBHDFWHTMHK-ZZXKWVIFSA-N -1 0 339.319 3.700 20 0 EHADRM Cc1nc([C@H](C)NC(=O)C[C@H]2CCCCC2(C)C)sc1C(=O)[O-] ZINC000263543267 1124052519 /nfs/dbraw/zinc/05/25/19/1124052519.db2.gz RXIUVGCYLYRZRM-NWDGAFQWSA-N -1 0 338.473 3.933 20 0 EHADRM COc1ccc(CSCCC[N-]C(=O)C(F)(F)F)cc1Cl ZINC000180794297 1124073537 /nfs/dbraw/zinc/07/35/37/1124073537.db2.gz NIAIAZOAKNRWBX-UHFFFAOYSA-N -1 0 341.782 3.650 20 0 EHADRM Cc1cc(C)cc(OCCC(=O)N=c2cc(-c3cccs3)[nH][nH]2)c1 ZINC000617366197 1124499704 /nfs/dbraw/zinc/49/97/04/1124499704.db2.gz WBRDNOUTACMKSR-UHFFFAOYSA-N -1 0 341.436 3.585 20 0 EHADRM [O-]c1c(Cl)cc(Cl)cc1CNc1nnc(-c2ccco2)o1 ZINC000181481708 1124871523 /nfs/dbraw/zinc/87/15/23/1124871523.db2.gz YGOQRRFTDKRSKT-UHFFFAOYSA-N -1 0 326.139 3.954 20 0 EHADRM CCC/C=C/C(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000735203108 1131316329 /nfs/dbraw/zinc/31/63/29/1131316329.db2.gz AKGBNTBNYCSCLN-BJMVGYQFSA-N -1 0 335.469 3.896 20 0 EHADRM CCC/C=C\C(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000735203109 1131316491 /nfs/dbraw/zinc/31/64/91/1131316491.db2.gz AKGBNTBNYCSCLN-YHYXMXQVSA-N -1 0 335.469 3.896 20 0 EHADRM COc1cccc(N=c2[n-]nc(S[C@H]3C[C@@H](C)CCC3=O)s2)c1 ZINC000450611502 1125165808 /nfs/dbraw/zinc/16/58/08/1125165808.db2.gz ISCZXCBCSCQESG-HZMBPMFUSA-N -1 0 349.481 3.562 20 0 EHADRM Cc1n[nH]c2cc([N-]S(=O)(=O)c3cccc4ccccc43)ccc12 ZINC000093909516 1125323123 /nfs/dbraw/zinc/32/31/23/1125323123.db2.gz SKEPAJCQVMKBNH-UHFFFAOYSA-N -1 0 337.404 3.825 20 0 EHADRM O=C(N[N-]C(=O)c1cc2ccccc2o1)Nc1ccc(F)cc1Cl ZINC000182753761 1125365824 /nfs/dbraw/zinc/36/58/24/1125365824.db2.gz YBEGSSBMMVPUCI-UHFFFAOYSA-N -1 0 347.733 3.692 20 0 EHADRM Cc1cccc(Oc2ccccc2NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])c1 ZINC000262162120 1125409444 /nfs/dbraw/zinc/40/94/44/1125409444.db2.gz PVHONIUZDXHBCJ-HUUCEWRRSA-N -1 0 325.364 3.837 20 0 EHADRM CN(c1ccccc1)[C@@H]1CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000619996433 1125449263 /nfs/dbraw/zinc/44/92/63/1125449263.db2.gz KHDBLVNSBLYBAD-CQSZACIVSA-N -1 0 348.805 3.536 20 0 EHADRM O=C([O-])c1cnc(C=Cc2ccc(-c3ccc(F)cc3)s2)[nH]c1=O ZINC000670369754 1129206718 /nfs/dbraw/zinc/20/67/18/1129206718.db2.gz ACOLETQASNTKCY-SOFGYWHQSA-N -1 0 342.351 3.918 20 0 EHADRM O=C(/C=C\C1CCCCC1)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000735598745 1131364683 /nfs/dbraw/zinc/36/46/83/1131364683.db2.gz MMSSIKWEWYQEAV-RAXLEYEMSA-N -1 0 345.464 3.556 20 0 EHADRM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1cccc2ccccc21 ZINC000068297904 1129359307 /nfs/dbraw/zinc/35/93/07/1129359307.db2.gz RBFIADNWLAZPBG-UHFFFAOYSA-N -1 0 331.331 3.848 20 0 EHADRM CC(C)CCC[C@@H](C)NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000198806376 1129423972 /nfs/dbraw/zinc/42/39/72/1129423972.db2.gz KFYWAWMTSMWEFP-GFCCVEGCSA-N -1 0 347.484 3.541 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)c1ccnc(Oc2ccccc2)c1 ZINC000073837847 1129756267 /nfs/dbraw/zinc/75/62/67/1129756267.db2.gz LCDYGENPNUNEPU-UHFFFAOYSA-N -1 0 348.424 3.697 20 0 EHADRM CCOc1cc(CN=c2[n-]nc(CC)s2)ccc1OCC(C)C ZINC000347799242 1129814898 /nfs/dbraw/zinc/81/48/98/1129814898.db2.gz SNUUXSKOWMQVIZ-UHFFFAOYSA-N -1 0 335.473 3.568 20 0 EHADRM C[C@H](NC(=O)C[C@H](C(=O)[O-])c1ccccc1)[C@@H](C)c1ccccc1 ZINC000673790205 1129845749 /nfs/dbraw/zinc/84/57/49/1129845749.db2.gz CBBBOICKLRRDAI-VKJFTORMSA-N -1 0 325.408 3.553 20 0 EHADRM Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1cc(Cl)ccc1O ZINC000673981378 1129932407 /nfs/dbraw/zinc/93/24/07/1129932407.db2.gz IQWSQGDUBWINHC-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM O=C(Nc1ncc(Cc2cccc(F)c2)s1)c1ccc(F)c(O)c1 ZINC001626096071 1129971883 /nfs/dbraw/zinc/97/18/83/1129971883.db2.gz OQHFWTDSXJFGIX-UHFFFAOYSA-N -1 0 346.358 3.970 20 0 EHADRM CC1(C)CN(C(=O)c2cc(F)c(F)c([O-])c2F)Cc2ccccc21 ZINC000543578258 1129992047 /nfs/dbraw/zinc/99/20/47/1129992047.db2.gz BJCKJEZNCBTIDA-UHFFFAOYSA-N -1 0 335.325 3.743 20 0 EHADRM CC(C)(C(=O)N=c1ccc(-c2ccccc2)n[n-]1)c1ccc(F)cc1 ZINC000466632462 1129993197 /nfs/dbraw/zinc/99/31/97/1129993197.db2.gz IMXXQJYLEGSORO-UHFFFAOYSA-N -1 0 335.382 3.621 20 0 EHADRM C[C@@H](CC(=O)N=c1ccc(-c2ccccc2)n[n-]1)c1cccc(F)c1 ZINC000466633539 1129993651 /nfs/dbraw/zinc/99/36/51/1129993651.db2.gz GUKDREJNQZREJW-AWEZNQCLSA-N -1 0 335.382 3.837 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000674234052 1130032486 /nfs/dbraw/zinc/03/24/86/1130032486.db2.gz SSFUFMNHLJTUDR-HUUCEWRRSA-N -1 0 329.396 3.521 20 0 EHADRM CC(=O)c1cccc(O[C@H](C)C(=O)Nc2cccc(Cl)c2[O-])c1 ZINC000172111988 1130107886 /nfs/dbraw/zinc/10/78/86/1130107886.db2.gz AIIFMCBUSYZHEE-LLVKDONJSA-N -1 0 333.771 3.654 20 0 EHADRM O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1c([O-])cc(F)cc1F ZINC000674605949 1130144418 /nfs/dbraw/zinc/14/44/18/1130144418.db2.gz GAUWXCACTPNUME-RKDXNWHRSA-N -1 0 337.288 3.769 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCC[C@H]3C3CC3)n2)c1 ZINC000674604808 1130144447 /nfs/dbraw/zinc/14/44/47/1130144447.db2.gz UKUPJNLRKHUMAN-KRWDZBQOSA-N -1 0 339.439 3.716 20 0 EHADRM CSc1ccncc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000674715492 1130178814 /nfs/dbraw/zinc/17/88/14/1130178814.db2.gz QNSPCQVLTPSUDA-UHFFFAOYSA-N -1 0 336.482 3.902 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)C[C@]1(C(=O)[O-])CCSC1 ZINC000069771822 1130263845 /nfs/dbraw/zinc/26/38/45/1130263845.db2.gz NXCDCEYAHFFCRW-KPZWWZAWSA-N -1 0 347.436 3.516 20 0 EHADRM CC(=C\c1ccccc1)/C=C\c1nc2ccccc2c(=O)n1CC(=O)[O-] ZINC000675724809 1130463096 /nfs/dbraw/zinc/46/30/96/1130463096.db2.gz NAGRUDSQKOHVNP-XGRKLIJNSA-N -1 0 346.386 3.598 20 0 EHADRM CCn1c(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc2ccccc21 ZINC000675948387 1130508252 /nfs/dbraw/zinc/50/82/52/1130508252.db2.gz PIUUSCPFICQSPP-KYJSFNMBSA-N -1 0 340.423 3.519 20 0 EHADRM O=C([O-])CCN(CC1CC1)C(=O)CCc1ccc(-c2ccccc2)o1 ZINC000675971016 1130511860 /nfs/dbraw/zinc/51/18/60/1130511860.db2.gz MJIJKCPKLTUXQX-UHFFFAOYSA-N -1 0 341.407 3.593 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC000675993700 1130513944 /nfs/dbraw/zinc/51/39/44/1130513944.db2.gz PLGPAUMUVKEGLA-UHFFFAOYSA-N -1 0 333.359 3.740 20 0 EHADRM CN(CCC(=O)[O-])C(=O)c1sc2cccc(Cl)c2c1Cl ZINC000676216607 1130549067 /nfs/dbraw/zinc/54/90/67/1130549067.db2.gz ONRCQOKXNISQEI-UHFFFAOYSA-N -1 0 332.208 3.755 20 0 EHADRM CC/C=C(\C)C(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000729886320 1130652627 /nfs/dbraw/zinc/65/26/27/1130652627.db2.gz AUCIJPBGMLNCCJ-VGOFMYFVSA-N -1 0 335.469 3.896 20 0 EHADRM CCCCS(=O)(=O)[N-]C(=O)CC1CCC(c2ccccc2)CC1 ZINC000731136079 1130772182 /nfs/dbraw/zinc/77/21/82/1130772182.db2.gz KLGTVZHCWBFYBA-UHFFFAOYSA-N -1 0 337.485 3.597 20 0 EHADRM CCC(CC)(CC(=O)N[C@@H](C)c1nc2ccccc2s1)C(=O)[O-] ZINC000734158534 1131205239 /nfs/dbraw/zinc/20/52/39/1131205239.db2.gz PGBABQZRGYCEMD-NSHDSACASA-N -1 0 334.441 3.755 20 0 EHADRM CC(C)(C)C1CCC(CC(=O)[N-]S(=O)(=O)c2cccs2)CC1 ZINC000766223447 1131445455 /nfs/dbraw/zinc/44/54/55/1131445455.db2.gz PTLKELSWEWQEGE-UHFFFAOYSA-N -1 0 343.514 3.796 20 0 EHADRM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(C(C)(C)C)cc1 ZINC000737354028 1131447527 /nfs/dbraw/zinc/44/75/27/1131447527.db2.gz LINJOCRSHBGEDD-AWEZNQCLSA-N -1 0 345.464 3.805 20 0 EHADRM CCCC[C@H](CC)CC(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1 ZINC000737347499 1131447911 /nfs/dbraw/zinc/44/79/11/1131447911.db2.gz ISKYHZUFMVNWGR-GJZGRUSLSA-N -1 0 325.474 3.800 20 0 EHADRM CC[C@@H](NC(=O)c1n[n-]c2ccccc2c1=O)C(C)(C)c1ccccc1 ZINC000741701564 1131637344 /nfs/dbraw/zinc/63/73/44/1131637344.db2.gz LVFVXYQJUGQOIM-QGZVFWFLSA-N -1 0 349.434 3.822 20 0 EHADRM O=C(NCCc1ccccc1Cl)c1ccc2[n-]c(=S)oc2c1 ZINC000742247648 1131700713 /nfs/dbraw/zinc/70/07/13/1131700713.db2.gz RAPKCSUUIJCXMA-UHFFFAOYSA-N -1 0 332.812 3.742 20 0 EHADRM CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000744004051 1132006371 /nfs/dbraw/zinc/00/63/71/1132006371.db2.gz UGWCHUBFQZDYRF-CYBMUJFWSA-N -1 0 325.474 3.715 20 0 EHADRM CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000744007026 1132007538 /nfs/dbraw/zinc/00/75/38/1132007538.db2.gz YXKATZVJRIRQEM-CYBMUJFWSA-N -1 0 325.474 3.715 20 0 EHADRM COc1ccc(Nc2ccc3ccccc3c2S(=O)(=O)[O-])cc1 ZINC001173805135 1132152275 /nfs/dbraw/zinc/15/22/75/1132152275.db2.gz PGESTQGLJJYZIE-UHFFFAOYSA-N -1 0 329.377 3.839 20 0 EHADRM CCOc1ccc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)cc1 ZINC001173854056 1132156095 /nfs/dbraw/zinc/15/60/95/1132156095.db2.gz OMEABKGANLHEFM-UHFFFAOYSA-N -1 0 327.789 3.729 20 0 EHADRM COC(=O)[N-]S(=O)(=O)c1ccc(Nc2ccc(C(C)C)cc2)cc1 ZINC001173895549 1132166091 /nfs/dbraw/zinc/16/60/91/1132166091.db2.gz NMAZTBGOXUFEMS-UHFFFAOYSA-N -1 0 348.424 3.598 20 0 EHADRM Cc1ccc(Nc2ccc3c(O)cc(S(=O)(=O)[O-])cc3c2)cc1F ZINC001174021514 1132216898 /nfs/dbraw/zinc/21/68/98/1132216898.db2.gz ZIOAMXVCKKIKTE-UHFFFAOYSA-N -1 0 347.367 3.983 20 0 EHADRM CC(=O)NCc1cccc(Nc2ccc3[n-]c(=S)sc3c2)c1 ZINC001174369462 1132339094 /nfs/dbraw/zinc/33/90/94/1132339094.db2.gz SFLOUEOTYZEUPM-UHFFFAOYSA-N -1 0 329.450 3.965 20 0 EHADRM CCCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000745969607 1132340919 /nfs/dbraw/zinc/34/09/19/1132340919.db2.gz WZGMVQIQWSVXJT-ZDUSSCGKSA-N -1 0 343.464 3.936 20 0 EHADRM COC(=O)Cc1ccc(Cl)c(Nc2cccc(/C=C/C(=O)[O-])c2)c1 ZINC001174499301 1132373092 /nfs/dbraw/zinc/37/30/92/1132373092.db2.gz DPWSFSXTNKLDQS-SOFGYWHQSA-N -1 0 345.782 3.897 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2cccc3c2C(=O)N(C2CC2)C3)c1 ZINC001174497478 1132373166 /nfs/dbraw/zinc/37/31/66/1132373166.db2.gz ULRNOHJKFRERQD-JXMROGBWSA-N -1 0 334.375 3.646 20 0 EHADRM C[C@H]1Cc2cc(Nc3cccc(/C=C/C(=O)[O-])c3)ccc2N(C)C1=O ZINC001174499579 1132373201 /nfs/dbraw/zinc/37/32/01/1132373201.db2.gz UDWVTKNWPBMXCN-PPGNKHEKSA-N -1 0 336.391 3.683 20 0 EHADRM Cc1cccc(OCCCNC(=O)c2ccc3[n-]c(=S)oc3c2)c1 ZINC000746105705 1132373351 /nfs/dbraw/zinc/37/33/51/1132373351.db2.gz BHBZMALMPPIRDI-UHFFFAOYSA-N -1 0 342.420 3.624 20 0 EHADRM CCOC(=O)Cc1ccccc1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174497328 1132373682 /nfs/dbraw/zinc/37/36/82/1132373682.db2.gz MXLXYWVHTVGYMU-ZHACJKMWSA-N -1 0 325.364 3.634 20 0 EHADRM COC(=O)c1c(F)ccc(Nc2cccc(/C=C/C(=O)[O-])c2)c1F ZINC001174499698 1132375658 /nfs/dbraw/zinc/37/56/58/1132375658.db2.gz KNJVKNKPUMXDCE-VMPITWQZSA-N -1 0 333.290 3.593 20 0 EHADRM C[C@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)c1c(F)cccc1F ZINC000746118119 1132378130 /nfs/dbraw/zinc/37/81/30/1132378130.db2.gz RPAHLMKCLGXMNR-QMMMGPOBSA-N -1 0 334.347 3.886 20 0 EHADRM C[C@H](Cc1ccccc1F)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000746155438 1132385277 /nfs/dbraw/zinc/38/52/77/1132385277.db2.gz JQFKFMCBQXOBQA-SNVBAGLBSA-N -1 0 330.384 3.617 20 0 EHADRM O=C(NC1(c2ccc(F)cc2)CC1)c1ccc2[n-]c(=S)oc2c1 ZINC000746223843 1132395157 /nfs/dbraw/zinc/39/51/57/1132395157.db2.gz FRSJKRRVEMZEOW-UHFFFAOYSA-N -1 0 328.368 3.675 20 0 EHADRM O=C(N[C@H]1C[C@H]1c1c(F)cccc1F)c1ccc2[n-]c(=S)oc2c1 ZINC000746271009 1132398881 /nfs/dbraw/zinc/39/88/81/1132398881.db2.gz AMOVKFXJAAWIEQ-RNCFNFMXSA-N -1 0 346.358 3.681 20 0 EHADRM Cc1cc(O)ccc1Nc1ccc2c(cccc2S(=O)(=O)[O-])c1 ZINC001174564030 1132416113 /nfs/dbraw/zinc/41/61/13/1132416113.db2.gz JWDFEFSRRJIZPV-UHFFFAOYSA-N -1 0 329.377 3.844 20 0 EHADRM COC(=O)c1c(C)c(C)sc1Nc1ccc(C(=O)[O-])cc1OC ZINC001174670096 1132432167 /nfs/dbraw/zinc/43/21/67/1132432167.db2.gz HDEBASYOFNOHJW-UHFFFAOYSA-N -1 0 335.381 3.602 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1c(C)cnn1-c1ccccc1 ZINC000188072062 1132433695 /nfs/dbraw/zinc/43/36/95/1132433695.db2.gz VARNAAUBHINJHK-UHFFFAOYSA-N -1 0 341.436 3.544 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1c(C)cnn1-c1ccc(C)cc1 ZINC001174677185 1132433927 /nfs/dbraw/zinc/43/39/27/1132433927.db2.gz KQZXSZBIQJJBNP-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1nc(Cl)c(Cl)nc1Cl ZINC001174677755 1132434187 /nfs/dbraw/zinc/43/41/87/1132434187.db2.gz RNCDQUXMUCXPGI-UHFFFAOYSA-N -1 0 348.573 3.887 20 0 EHADRM COc1cc(Nc2cccnc2N2CCCCC2)ccc1C(=O)[O-] ZINC001174681263 1132434785 /nfs/dbraw/zinc/43/47/85/1132434785.db2.gz PPHGZEZIPLWIFD-UHFFFAOYSA-N -1 0 327.384 3.522 20 0 EHADRM COc1cc(Nc2ccc(C(=O)[O-])c(OC)c2)c(OC)cc1Cl ZINC001174682935 1132435718 /nfs/dbraw/zinc/43/57/18/1132435718.db2.gz HXZVWTAOSOXFIN-UHFFFAOYSA-N -1 0 337.759 3.808 20 0 EHADRM COc1ccc(C(C)=O)c(Nc2ccc(C(=O)[O-])c(OC)c2)c1C ZINC001174684977 1132435900 /nfs/dbraw/zinc/43/59/00/1132435900.db2.gz DEPPNTNMVVIIEX-UHFFFAOYSA-N -1 0 329.352 3.657 20 0 EHADRM COC(=O)c1cccc(Cl)c1Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001174685236 1132435975 /nfs/dbraw/zinc/43/59/75/1132435975.db2.gz MQHWNKLRCHMPEQ-UHFFFAOYSA-N -1 0 335.743 3.577 20 0 EHADRM COc1ccc(-n2cccc2)c(Nc2ccc(C(=O)[O-])c(OC)c2)c1 ZINC001174685319 1132436061 /nfs/dbraw/zinc/43/60/61/1132436061.db2.gz QNPPBZZMKUDPDX-UHFFFAOYSA-N -1 0 338.363 3.936 20 0 EHADRM COC(=O)c1cc(C)c(Nc2ccc(C(=O)[O-])c(OC)c2)c(C)c1 ZINC001174686738 1132436607 /nfs/dbraw/zinc/43/66/07/1132436607.db2.gz GTODLJCJKJXNMS-UHFFFAOYSA-N -1 0 329.352 3.540 20 0 EHADRM C[C@H]1CN(c2ccccc2F)CCN1C(=O)c1ccc([O-])c(Cl)c1 ZINC000191465901 1132463640 /nfs/dbraw/zinc/46/36/40/1132463640.db2.gz HWHBMWYVGDSPFN-LBPRGKRZSA-N -1 0 348.805 3.536 20 0 EHADRM Cc1cc(-n2cccn2)ccc1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000192639521 1132474264 /nfs/dbraw/zinc/47/42/64/1132474264.db2.gz PTOIILWGYKFOSE-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(Br)cn3ccnc23)s1 ZINC001174806066 1132478329 /nfs/dbraw/zinc/47/83/29/1132478329.db2.gz QNFNUUHDEQHZPB-UHFFFAOYSA-N -1 0 338.186 3.600 20 0 EHADRM CCOC(=O)c1ccc2c(cccc2Nc2ccc(C(=O)[O-])s2)n1 ZINC001174807319 1132478896 /nfs/dbraw/zinc/47/88/96/1132478896.db2.gz IJHHWPOZGDSFSD-UHFFFAOYSA-N -1 0 342.376 3.915 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc3nnc(-c4ccccc4)n3c2)s1 ZINC001174808950 1132478975 /nfs/dbraw/zinc/47/89/75/1132478975.db2.gz UVKGIGBPBKRKTC-UHFFFAOYSA-N -1 0 336.376 3.900 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(OC[C@@H]3CCCO3)c(F)c2)s1 ZINC001174810127 1132480308 /nfs/dbraw/zinc/48/03/08/1132480308.db2.gz HEXUPZYTTVWBKL-NSHDSACASA-N -1 0 337.372 3.887 20 0 EHADRM CN(c1ccc(C(=O)[O-])s1)c1cc(Br)ccc1N ZINC001174809466 1132480468 /nfs/dbraw/zinc/48/04/68/1132480468.db2.gz JOGAWETZWSXKDS-UHFFFAOYSA-N -1 0 327.203 3.559 20 0 EHADRM CN1C(=O)CC(C)(C)c2cc(Nc3ccc(C(=O)[O-])s3)ccc21 ZINC001174813093 1132481516 /nfs/dbraw/zinc/48/15/16/1132481516.db2.gz VFALMUOCMHXCOM-UHFFFAOYSA-N -1 0 330.409 3.834 20 0 EHADRM COCc1ccc(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)cc1 ZINC001174924885 1132507527 /nfs/dbraw/zinc/50/75/27/1132507527.db2.gz HITHDVPWWXSFEA-UHFFFAOYSA-N -1 0 343.404 3.977 20 0 EHADRM O=C([O-])Cc1ccc(Nc2ccc(C(=O)NC3CCCC3)cc2)cc1 ZINC001174953367 1132516961 /nfs/dbraw/zinc/51/69/61/1132516961.db2.gz AZWXYSNBRPTCQG-UHFFFAOYSA-N -1 0 338.407 3.730 20 0 EHADRM O=C([O-])Cc1ccc(Nc2ccc(OC[C@H]3CCCO3)c(F)c2)cc1 ZINC001174954031 1132517349 /nfs/dbraw/zinc/51/73/49/1132517349.db2.gz XWIYFGLUDVBFCP-MRXNPFEDSA-N -1 0 345.370 3.754 20 0 EHADRM O=S(=O)([N-]c1ccnn1C1CCCC1)c1c(F)cccc1Cl ZINC000766360077 1132518446 /nfs/dbraw/zinc/51/84/46/1132518446.db2.gz DHBQIQUOYWPFBG-UHFFFAOYSA-N -1 0 343.811 3.592 20 0 EHADRM O=C([N-]S(=O)(=O)CC1CCCCC1)C1(c2ccccc2)CCCC1 ZINC000746445565 1132534081 /nfs/dbraw/zinc/53/40/81/1132534081.db2.gz AXNMBRBJORSMBR-UHFFFAOYSA-N -1 0 349.496 3.525 20 0 EHADRM COc1cnc(Br)c(Nc2cc(C(=O)[O-])ccc2C)c1 ZINC001174982325 1132535181 /nfs/dbraw/zinc/53/51/81/1132535181.db2.gz ZDUDBWAZPHROTF-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM O=C([O-])c1ccc(Nc2cnc(F)c(Br)c2)cc1F ZINC001175154837 1132568602 /nfs/dbraw/zinc/56/86/02/1132568602.db2.gz GDSYXULNFSEJNN-UHFFFAOYSA-N -1 0 329.100 3.564 20 0 EHADRM COc1ccc(Cn2nccc2Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001175154730 1132568699 /nfs/dbraw/zinc/56/86/99/1132568699.db2.gz RGAKQJNWUPPRRZ-UHFFFAOYSA-N -1 0 341.342 3.521 20 0 EHADRM O=C([O-])c1ccc(Nc2ccnc(F)c2Br)cc1F ZINC001175161696 1132568839 /nfs/dbraw/zinc/56/88/39/1132568839.db2.gz PZOMEFNPCHOGSO-UHFFFAOYSA-N -1 0 329.100 3.564 20 0 EHADRM Nc1ccc(OC(F)(F)F)c(Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001175160325 1132571720 /nfs/dbraw/zinc/57/17/20/1132571720.db2.gz HCYIBIMVOUWGFA-UHFFFAOYSA-N -1 0 330.237 3.748 20 0 EHADRM Cc1nccc(Br)c1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175217497 1132598210 /nfs/dbraw/zinc/59/82/10/1132598210.db2.gz QUIKFTFZHYXFSV-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM Nc1ccc2c(c1)c(-c1ccncc1)nn2-c1ccc(F)c(C(=O)[O-])c1 ZINC001175221818 1132598992 /nfs/dbraw/zinc/59/89/92/1132598992.db2.gz NRBNBASQQUZPMI-UHFFFAOYSA-N -1 0 348.337 3.507 20 0 EHADRM O=C([O-])c1cc(Nc2ccc(OC3CCOCC3)cc2)ccc1F ZINC001175223101 1132599468 /nfs/dbraw/zinc/59/94/68/1132599468.db2.gz BJJVNMRSVNZDRC-UHFFFAOYSA-N -1 0 331.343 3.825 20 0 EHADRM CN1c2cc(Nc3ccc(F)c(C(=O)[O-])c3)ccc2C(C)(C)C1=O ZINC001175222600 1132600041 /nfs/dbraw/zinc/60/00/41/1132600041.db2.gz XTJSKJGRUGBSMP-UHFFFAOYSA-N -1 0 328.343 3.522 20 0 EHADRM CN1CCN(c2cccc(Nc3ccc(C(=O)[O-])c(Cl)c3)c2)C1=O ZINC001175320699 1132637948 /nfs/dbraw/zinc/63/79/48/1132637948.db2.gz VHZIVTPOQBXFLH-UHFFFAOYSA-N -1 0 345.786 3.654 20 0 EHADRM CN(C)C(=O)Oc1cccc(Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001175320709 1132637959 /nfs/dbraw/zinc/63/79/59/1132637959.db2.gz JXISUMGYRLAFEP-UHFFFAOYSA-N -1 0 334.759 3.842 20 0 EHADRM COC(=O)c1cc(OC)c(Nc2cccc(C(=O)[O-])c2)cc1Cl ZINC001175331379 1132641293 /nfs/dbraw/zinc/64/12/93/1132641293.db2.gz PWEILKUROCQXFA-UHFFFAOYSA-N -1 0 335.743 3.577 20 0 EHADRM COc1ncc(C)cc1Nc1ccc2c(cccc2S(=O)(=O)[O-])c1 ZINC001175336607 1132641786 /nfs/dbraw/zinc/64/17/86/1132641786.db2.gz KAUAALFDUKLZJV-UHFFFAOYSA-N -1 0 344.392 3.542 20 0 EHADRM O=c1[n-]c(F)c(Cl)c(Nc2ccc3nccnc3c2)c1Cl ZINC001175487576 1132681422 /nfs/dbraw/zinc/68/14/22/1132681422.db2.gz YTVBWQUWUMGQHM-UHFFFAOYSA-N -1 0 325.130 3.920 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)Nc1nccc(Br)c1[O-] ZINC001169383128 1132743224 /nfs/dbraw/zinc/74/32/24/1132743224.db2.gz OTVNWJBGQNKVND-UHFFFAOYSA-N -1 0 349.228 3.757 20 0 EHADRM Cc1ccccc1NC(=O)c1c(C)cccc1NCc1cc(=O)[n-]o1 ZINC001169483926 1132765092 /nfs/dbraw/zinc/76/50/92/1132765092.db2.gz FYGGJZHWKANYBO-UHFFFAOYSA-N -1 0 337.379 3.861 20 0 EHADRM CC(C)Cn1cnc2c1c1ccccc1nc2NCc1cc(=O)[n-]o1 ZINC001169481693 1132765295 /nfs/dbraw/zinc/76/52/95/1132765295.db2.gz SMVKQFATOGNVIV-UHFFFAOYSA-N -1 0 337.383 3.546 20 0 EHADRM O=C([O-])c1cncc(Nc2cc(Cl)cc(Br)c2)c1 ZINC001175842251 1132773499 /nfs/dbraw/zinc/77/34/99/1132773499.db2.gz XFUMRNXOLJLOCS-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM O=C([O-])c1cncc(Nc2cc(Cl)ccc2C(=O)C(F)(F)F)c1 ZINC001175842734 1132773849 /nfs/dbraw/zinc/77/38/49/1132773849.db2.gz BJOFPPQXECZXHE-UHFFFAOYSA-N -1 0 344.676 3.922 20 0 EHADRM CN(C(=O)OC(C)(C)C)c1ccc(Nc2ccc(C(=O)[O-])cc2)cn1 ZINC001176137979 1132843449 /nfs/dbraw/zinc/84/34/49/1132843449.db2.gz VJICLUFQNABBAN-UHFFFAOYSA-N -1 0 343.383 3.895 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cc1 ZINC000766892775 1132911161 /nfs/dbraw/zinc/91/11/61/1132911161.db2.gz UHZLNPABNZTRCZ-UHFFFAOYSA-N -1 0 347.223 3.588 20 0 EHADRM CCc1cc(Br)ncc1Nc1csc(C(=O)[O-])c1 ZINC001176435795 1132929206 /nfs/dbraw/zinc/92/92/06/1132929206.db2.gz GKEGVXTZWISQDE-UHFFFAOYSA-N -1 0 327.203 3.910 20 0 EHADRM O=C([O-])c1cc(Nc2c(F)cccc2OC[C@H]2CCCO2)cs1 ZINC001176440054 1132929663 /nfs/dbraw/zinc/92/96/63/1132929663.db2.gz DOCQBGBTIBUCKY-LLVKDONJSA-N -1 0 337.372 3.887 20 0 EHADRM Cc1cc(Br)cc(Nc2csc(C(=O)[O-])c2)c1N ZINC001176439278 1132930023 /nfs/dbraw/zinc/93/00/23/1132930023.db2.gz NJIMMJBGJADIAT-UHFFFAOYSA-N -1 0 327.203 3.843 20 0 EHADRM COC(=O)c1cc(Nc2csc(C(=O)[O-])c2)c(OC)cc1Cl ZINC001176441971 1132930956 /nfs/dbraw/zinc/93/09/56/1132930956.db2.gz YXWDZMJMZAPQET-UHFFFAOYSA-N -1 0 341.772 3.639 20 0 EHADRM COC(=O)c1cc(C)sc1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176581477 1132959795 /nfs/dbraw/zinc/95/97/95/1132959795.db2.gz OMJAQMSCGVTNAL-UHFFFAOYSA-N -1 0 331.393 3.703 20 0 EHADRM COC(=O)c1ccc(Cl)cc1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176586748 1132960505 /nfs/dbraw/zinc/96/05/05/1132960505.db2.gz KYBGZKPEBJRARV-UHFFFAOYSA-N -1 0 345.782 3.986 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3ccc(N4CCCC4=O)cc3)cc2)CC1 ZINC001176587161 1132960521 /nfs/dbraw/zinc/96/05/21/1132960521.db2.gz VFOGLRXTVLPKOX-UHFFFAOYSA-N -1 0 336.391 3.673 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3cnc4cc(C5CCC5)nn4c3)cc2)CC1 ZINC001176586384 1132960775 /nfs/dbraw/zinc/96/07/75/1132960775.db2.gz FZZCXQSNWJBGIX-UHFFFAOYSA-N -1 0 348.406 3.857 20 0 EHADRM Cc1cc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)n(CC(F)(F)F)n1 ZINC001176583979 1132960914 /nfs/dbraw/zinc/96/09/14/1132960914.db2.gz BHPIHKODDUMCSW-UHFFFAOYSA-N -1 0 339.317 3.614 20 0 EHADRM COc1ccc(-n2nccc2Nc2ccc(C3(C(=O)[O-])CC3)cc2)cc1 ZINC001176587337 1132960943 /nfs/dbraw/zinc/96/09/43/1132960943.db2.gz XKDLTANMOAOSGD-UHFFFAOYSA-N -1 0 349.390 3.741 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3nc4c(s3)C(=O)CCC4)cc2)CC1 ZINC001176583355 1132961092 /nfs/dbraw/zinc/96/10/92/1132961092.db2.gz ZNVNEXWVOHOURS-UHFFFAOYSA-N -1 0 328.393 3.522 20 0 EHADRM CCOC(=O)Cc1cccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1 ZINC001176589548 1132962546 /nfs/dbraw/zinc/96/25/46/1132962546.db2.gz YMGYPXUGBVGTTN-UHFFFAOYSA-N -1 0 339.391 3.652 20 0 EHADRM CCOC(=O)c1ccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cc1 ZINC001176590772 1132962594 /nfs/dbraw/zinc/96/25/94/1132962594.db2.gz WTJLMQXZUDXCLX-UHFFFAOYSA-N -1 0 325.364 3.723 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2ccc(O)c(Br)c2)cc1 ZINC001176594939 1132963633 /nfs/dbraw/zinc/96/36/33/1132963633.db2.gz BBYTUVPBOLEGDC-FPYGCLRLSA-N -1 0 334.169 3.996 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2ccc(O)cc2Br)cc1 ZINC001176596098 1132964059 /nfs/dbraw/zinc/96/40/59/1132964059.db2.gz XCSYIBRSMHGCBH-FPYGCLRLSA-N -1 0 334.169 3.996 20 0 EHADRM Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000767199000 1132965067 /nfs/dbraw/zinc/96/50/67/1132965067.db2.gz AXFQNSBCBQODTH-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM COc1ccc(Cn2nc(C)cc2Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001176710964 1132994966 /nfs/dbraw/zinc/99/49/66/1132994966.db2.gz WICWXFNHUTVOJV-UHFFFAOYSA-N -1 0 337.379 3.690 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc3ncc(Br)n3c2)cc1 ZINC001176712071 1132995403 /nfs/dbraw/zinc/99/54/03/1132995403.db2.gz XZWMHMKTRPZDAF-UHFFFAOYSA-N -1 0 332.157 3.539 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)c1coc2ccccc12 ZINC000767567314 1133020026 /nfs/dbraw/zinc/02/00/26/1133020026.db2.gz NIGMZIDQTQPPPR-UHFFFAOYSA-N -1 0 349.795 3.513 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)c2c(C)oc3ccccc32)sc1C ZINC000768009472 1133081828 /nfs/dbraw/zinc/08/18/28/1133081828.db2.gz DLBCWOXWPYZBBG-UHFFFAOYSA-N -1 0 349.433 3.538 20 0 EHADRM Oc1ccc(CNCc2c(F)cc(Br)cc2F)cc1F ZINC001177913354 1133111847 /nfs/dbraw/zinc/11/18/47/1133111847.db2.gz WXYKXWBBCMQKSU-UHFFFAOYSA-N -1 0 346.146 3.862 20 0 EHADRM CSc1cc(C(=O)Nc2cc(C(C)=O)cc(F)c2[O-])ccc1F ZINC001178433150 1133163605 /nfs/dbraw/zinc/16/36/05/1133163605.db2.gz LNTNLRHGOHCYCG-UHFFFAOYSA-N -1 0 337.347 3.847 20 0 EHADRM O=S(=O)(C=Cc1cccc(Cl)c1)[N-]c1n[nH]c2ccccc21 ZINC000768862235 1133199294 /nfs/dbraw/zinc/19/92/94/1133199294.db2.gz JIMUMSYMTSKKRG-HJWRWDBZSA-N -1 0 333.800 3.629 20 0 EHADRM Cc1c(Cl)cc(NC(=O)[C@H]2Cc3ccccc3O2)c([O-])c1Cl ZINC001178940775 1133214214 /nfs/dbraw/zinc/21/42/14/1133214214.db2.gz HZQQWSZCEWBBEX-CYBMUJFWSA-N -1 0 338.190 3.950 20 0 EHADRM Cc1[nH]nc(C(=O)Nc2cccc(C)c2OCc2ccccc2)c1[O-] ZINC001178980579 1133214672 /nfs/dbraw/zinc/21/46/72/1133214672.db2.gz PKOUSKFPNOYJEI-UHFFFAOYSA-N -1 0 337.379 3.563 20 0 EHADRM COc1ccc(CNc2ccc(-n3ccc(=O)[n-]3)cc2)c(Cl)c1 ZINC001179308387 1133242056 /nfs/dbraw/zinc/24/20/56/1133242056.db2.gz PRKXIHQSHWYKSJ-UHFFFAOYSA-N -1 0 329.787 3.852 20 0 EHADRM Cc1cc(=O)[nH]c(-c2cccc(OC(=O)C[C@@H]3CCC[C@@H]3C)c2)n1 ZINC000769300783 1133257194 /nfs/dbraw/zinc/25/71/94/1133257194.db2.gz UJXHQJMQGZQMPL-JSGCOSHPSA-N -1 0 326.396 3.889 20 0 EHADRM O=C([N-][C@H](c1ccccc1)c1ccncc1)C(F)(F)C(F)(F)Cl ZINC001179780536 1133278806 /nfs/dbraw/zinc/27/88/06/1133278806.db2.gz ZTBRTGFQXZNOHU-GFCCVEGCSA-N -1 0 346.711 3.754 20 0 EHADRM C/C(=C\C(=O)NCCCCCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000769495193 1133300874 /nfs/dbraw/zinc/30/08/74/1133300874.db2.gz LDJJRHWEZNXVOK-VAWYXSNFSA-N -1 0 343.345 3.870 20 0 EHADRM COC(=O)c1cc2cc(NC(=O)c3c([O-])cccc3Cl)ccc2o1 ZINC000769701786 1133332802 /nfs/dbraw/zinc/33/28/02/1133332802.db2.gz OXQFKDNMLUSFNY-UHFFFAOYSA-N -1 0 345.738 3.831 20 0 EHADRM CC(C)(C)NC(=O)c1ccccc1NC(=O)c1c([O-])cccc1Cl ZINC000769721964 1133335348 /nfs/dbraw/zinc/33/53/48/1133335348.db2.gz GWRQZWUIIDLTRJ-UHFFFAOYSA-N -1 0 346.814 3.826 20 0 EHADRM O=c1nc(CN(Cc2ccccc2F)C2CCC2)[n-]c2ccsc21 ZINC000151230765 1133413388 /nfs/dbraw/zinc/41/33/88/1133413388.db2.gz YTCPILYPFJWEEJ-UHFFFAOYSA-N -1 0 343.427 3.678 20 0 EHADRM COc1cc(Cl)ccc1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000773896254 1133445670 /nfs/dbraw/zinc/44/56/70/1133445670.db2.gz DAFLQSDZVLIZLL-UHFFFAOYSA-N -1 0 325.792 3.712 20 0 EHADRM O=C(Nc1cncc(O)c1)C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC001181171506 1133461754 /nfs/dbraw/zinc/46/17/54/1133461754.db2.gz LSTPQFRIVHASQV-UHFFFAOYSA-N -1 0 336.313 3.866 20 0 EHADRM O=C(Nc1ccccc1[S-])C1(c2ccc3c(c2)OC(F)(F)O3)CC1 ZINC001181395270 1133486801 /nfs/dbraw/zinc/48/68/01/1133486801.db2.gz XGEJWTLOKDVYSJ-UHFFFAOYSA-N -1 0 349.358 3.967 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC(C)(C)C)c1 ZINC000774232983 1133638057 /nfs/dbraw/zinc/63/80/57/1133638057.db2.gz LBZVKRCTLLIUOC-ZDUSSCGKSA-N -1 0 325.474 3.687 20 0 EHADRM CCCCOc1ccc(CCNC(=O)c2c([O-])cc(F)cc2F)cc1 ZINC001182381147 1133643095 /nfs/dbraw/zinc/64/30/95/1133643095.db2.gz NVZKXOLBGWKZQU-UHFFFAOYSA-N -1 0 349.377 3.822 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccc(CC(=O)[N-]Oc2ccccc2)cc1 ZINC000774272502 1133653175 /nfs/dbraw/zinc/65/31/75/1133653175.db2.gz SKQKLYDVMOZCKG-UHFFFAOYSA-N -1 0 342.395 3.686 20 0 EHADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 ZINC000774387099 1133668791 /nfs/dbraw/zinc/66/87/91/1133668791.db2.gz ONAXDCMNNGHLHV-FCCIYARUSA-N -1 0 341.517 3.618 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1c(C)nc2ccc(Cl)cn21 ZINC000785553172 1133720578 /nfs/dbraw/zinc/72/05/78/1133720578.db2.gz DRRLVSMMBSWVCY-UHFFFAOYSA-N -1 0 349.843 3.659 20 0 EHADRM C[C@@H](NC(=O)c1c([O-])cc(F)cc1F)c1c(F)cccc1Cl ZINC001182902904 1133747885 /nfs/dbraw/zinc/74/78/85/1133747885.db2.gz PIGLKJOOSHHFKI-SSDOTTSWSA-N -1 0 329.705 3.954 20 0 EHADRM CC(C)=CCCNC(=O)c1cc(Cl)cc(Br)c1[O-] ZINC001183176535 1133775694 /nfs/dbraw/zinc/77/56/94/1133775694.db2.gz PYLMZDVUCNRTJA-UHFFFAOYSA-N -1 0 332.625 3.894 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]C(=O)C[C@H](C)c1ccccc1C ZINC000786654245 1133880869 /nfs/dbraw/zinc/88/08/69/1133880869.db2.gz KXTSMRXBNHUPAU-HNNXBMFYSA-N -1 0 345.464 3.556 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]C(=O)C1(CC(C)C)CCCC1 ZINC000786662312 1133882990 /nfs/dbraw/zinc/88/29/90/1133882990.db2.gz IYBHYOKMGQOPBX-UHFFFAOYSA-N -1 0 337.485 3.660 20 0 EHADRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)c1 ZINC000746600807 1133894281 /nfs/dbraw/zinc/89/42/81/1133894281.db2.gz RNAKWTYQXMCYJQ-UHFFFAOYSA-N -1 0 334.441 3.534 20 0 EHADRM CC(C)[C@H]([N-]S(=O)(=O)/C=C/c1ccccc1Cl)C(F)(F)F ZINC000786888065 1133916777 /nfs/dbraw/zinc/91/67/77/1133916777.db2.gz CLYMZSKPHZCGBK-GUOLPTJISA-N -1 0 341.782 3.817 20 0 EHADRM CC(C)CCc1cc([N-]S(=O)(=O)c2cccc(C(F)F)c2)n[nH]1 ZINC000786896656 1133917946 /nfs/dbraw/zinc/91/79/46/1133917946.db2.gz LBIZQQUTFZHFFI-UHFFFAOYSA-N -1 0 343.399 3.737 20 0 EHADRM C[C@@H]1C(=O)CCCN1C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC001184394351 1133934583 /nfs/dbraw/zinc/93/45/83/1133934583.db2.gz XGDWEBQJFWDYMV-GFCCVEGCSA-N -1 0 343.810 3.906 20 0 EHADRM CC(C)CCC[C@H](C)[N-]S(=O)(=O)c1occc1Br ZINC001184534310 1133949723 /nfs/dbraw/zinc/94/97/23/1133949723.db2.gz OHSHTQSPVHARKN-JTQLQIEISA-N -1 0 338.267 3.535 20 0 EHADRM O=S(=O)([N-]c1cccc(-c2cccnc2)c1)c1cccnc1Cl ZINC001184869386 1134000041 /nfs/dbraw/zinc/00/00/41/1134000041.db2.gz SBITWWDGBGLUFC-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM O=S(=O)([N-]c1cccc(-c2ccccc2)c1)c1cnc(Cl)nc1 ZINC001185040857 1134024073 /nfs/dbraw/zinc/02/40/73/1134024073.db2.gz NAAHJMZMGKGDIZ-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM CSc1ccccc1[N-]S(=O)(=O)c1ccc(-c2cnco2)cc1 ZINC001185220773 1134051821 /nfs/dbraw/zinc/05/18/21/1134051821.db2.gz CSLXKYVTNJWEIY-UHFFFAOYSA-N -1 0 346.433 3.864 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2cccc(O)c2)cc1)c1ccsc1 ZINC001185392276 1134077887 /nfs/dbraw/zinc/07/78/87/1134077887.db2.gz MYMXRJXQQFHSRK-UHFFFAOYSA-N -1 0 331.418 3.922 20 0 EHADRM C[C@@H](O)c1cccc([N-]S(=O)(=O)c2cc3ccccc3s2)c1 ZINC001185421214 1134081272 /nfs/dbraw/zinc/08/12/72/1134081272.db2.gz LUFYOKBZQJQBOL-LLVKDONJSA-N -1 0 333.434 3.755 20 0 EHADRM O=S(=O)([N-]c1ccc2nccnc2c1)c1cc2ccccc2s1 ZINC001185421262 1134081424 /nfs/dbraw/zinc/08/14/24/1134081424.db2.gz MVFBWHSLVHBKNN-UHFFFAOYSA-N -1 0 341.417 3.645 20 0 EHADRM O=S(=O)(/C=C\c1ccc(Cl)cc1)[N-]c1cccc2ocnc21 ZINC000788131609 1134082401 /nfs/dbraw/zinc/08/24/01/1134082401.db2.gz MHBBNGCWANOSKW-HJWRWDBZSA-N -1 0 334.784 3.894 20 0 EHADRM O=S(=O)([N-]c1cncc(C2CC2)c1)c1cc2ccccc2s1 ZINC001185429787 1134084044 /nfs/dbraw/zinc/08/40/44/1134084044.db2.gz TXKCLGOHJQZGKM-UHFFFAOYSA-N -1 0 330.434 3.975 20 0 EHADRM COc1ccc([C@H](C)NC(=O)C=C([O-])c2ccccc2Cl)c(F)c1 ZINC001185437337 1134086546 /nfs/dbraw/zinc/08/65/46/1134086546.db2.gz YTWJPKWRCHZSQJ-NSHDSACASA-N -1 0 349.789 3.938 20 0 EHADRM COCOc1cccc([N-]S(=O)(=O)c2cc3ccccc3s2)c1 ZINC001185462463 1134092348 /nfs/dbraw/zinc/09/23/48/1134092348.db2.gz FARRTSKYPPLJSV-UHFFFAOYSA-N -1 0 349.433 3.685 20 0 EHADRM COc1cc(CNC(=O)Nc2ccc3c(c2)CCC3)cc(Cl)c1O ZINC001185783032 1134132304 /nfs/dbraw/zinc/13/23/04/1134132304.db2.gz HJABDVPTZCZEPZ-UHFFFAOYSA-N -1 0 346.814 3.865 20 0 EHADRM O=C(Nc1c(Cl)ccc(Br)c1[O-])NC1CCCC1 ZINC001185907745 1134147565 /nfs/dbraw/zinc/14/75/65/1134147565.db2.gz CZLXOKPXZPPUSU-UHFFFAOYSA-N -1 0 333.613 3.872 20 0 EHADRM CN(C)c1cccc(CC(=O)Nc2ccc3[n-]c(=S)sc3c2)c1 ZINC001186068378 1134163679 /nfs/dbraw/zinc/16/36/79/1134163679.db2.gz NORUMOPAHNNDDS-UHFFFAOYSA-N -1 0 343.477 3.832 20 0 EHADRM O=C(c1cccc([S-])c1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC001186150027 1134175259 /nfs/dbraw/zinc/17/52/59/1134175259.db2.gz XVOURVUCAYJWED-UHFFFAOYSA-N -1 0 326.396 3.794 20 0 EHADRM O=S(=O)([N-]c1ncnc2sccc21)c1csc2ccccc21 ZINC001186450926 1134214109 /nfs/dbraw/zinc/21/41/09/1134214109.db2.gz AYERDRLJRGLVHI-UHFFFAOYSA-N -1 0 347.446 3.707 20 0 EHADRM O=S(=O)([N-]c1cccc(C2CC2)n1)c1csc2ccccc21 ZINC001186464612 1134226058 /nfs/dbraw/zinc/22/60/58/1134226058.db2.gz ZJNVYRLHYGPBLO-UHFFFAOYSA-N -1 0 330.434 3.975 20 0 EHADRM CCCCC[C@@H](NS(=O)(=O)c1ccccc1[O-])c1ccccc1 ZINC001186525306 1134228596 /nfs/dbraw/zinc/22/85/96/1134228596.db2.gz ZELSYAZCGQYSIS-MRXNPFEDSA-N -1 0 333.453 3.992 20 0 EHADRM Nc1cccc2cccc(NC(=O)c3cc(F)c(F)c([O-])c3F)c12 ZINC001186780645 1134257325 /nfs/dbraw/zinc/25/73/25/1134257325.db2.gz VXXWJVGOCVKCMM-UHFFFAOYSA-N -1 0 332.281 3.797 20 0 EHADRM O=S(=O)([N-]c1cc2ccccc2nc1C(F)(F)F)c1ccco1 ZINC001186820631 1134262494 /nfs/dbraw/zinc/26/24/94/1134262494.db2.gz SPYHDODDWNLGQP-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM O=S(=O)([N-]c1cccc(Cl)c1C(F)(F)F)c1ccco1 ZINC001186859425 1134269701 /nfs/dbraw/zinc/26/97/01/1134269701.db2.gz WZUHRPFOJYSGIG-UHFFFAOYSA-N -1 0 325.695 3.753 20 0 EHADRM CC(C)Oc1cc([N-]S(=O)(=O)c2ccco2)cc(C(F)(F)F)c1 ZINC001186859178 1134269902 /nfs/dbraw/zinc/26/99/02/1134269902.db2.gz OFJZDHASGVEEDA-UHFFFAOYSA-N -1 0 349.330 3.886 20 0 EHADRM Cc1nc2ccc([N-]S(=O)(=O)c3cc4c(s3)CCCC4)cc2o1 ZINC001187210615 1134314819 /nfs/dbraw/zinc/31/48/19/1134314819.db2.gz WBWJZYVFYDWYDO-UHFFFAOYSA-N -1 0 348.449 3.877 20 0 EHADRM O=C([O-])c1cc(NCc2cc3ccccc3s2)cc2c1OCCO2 ZINC000789901658 1134346580 /nfs/dbraw/zinc/34/65/80/1134346580.db2.gz CLIPPOKNLIJWKX-UHFFFAOYSA-N -1 0 341.388 3.983 20 0 EHADRM Cc1c(=O)[n-]n(-c2ccccc2)c1NC(=O)Nc1cc(F)cc(F)c1 ZINC001187603385 1134352159 /nfs/dbraw/zinc/35/21/59/1134352159.db2.gz FZNPEFXIRSFFIY-UHFFFAOYSA-N -1 0 344.321 3.809 20 0 EHADRM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1nc(Cl)cs1 ZINC000790008566 1134360606 /nfs/dbraw/zinc/36/06/06/1134360606.db2.gz FVKWSMRUCXBFCU-ONEGZZNKSA-N -1 0 338.801 3.664 20 0 EHADRM COc1ccc(-c2ccccc2[N-]S(=O)(=O)c2nccs2)cc1 ZINC001187895324 1134393529 /nfs/dbraw/zinc/39/35/29/1134393529.db2.gz YCSFXCXPFCESHD-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM CC(C)(C)COc1cccc(F)c1[N-]S(=O)(=O)c1nccs1 ZINC001187898993 1134393956 /nfs/dbraw/zinc/39/39/56/1134393956.db2.gz DSSULLOSVUMQFP-UHFFFAOYSA-N -1 0 344.433 3.508 20 0 EHADRM O=S(=O)([N-]c1cccc(Oc2ccccc2)c1)c1nccs1 ZINC001187894858 1134393983 /nfs/dbraw/zinc/39/39/83/1134393983.db2.gz PJUSZSBMKFUBLO-UHFFFAOYSA-N -1 0 332.406 3.736 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cc1C(F)(F)F)c1nccs1 ZINC001187890931 1134398992 /nfs/dbraw/zinc/39/89/92/1134398992.db2.gz BTWSCCBIVKWSKK-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM O=S(=O)([N-]c1cc(-c2cccc(C(F)(F)F)c2)no1)C1CCC1 ZINC001188105127 1134422124 /nfs/dbraw/zinc/42/21/24/1134422124.db2.gz WRPQHQYNUZNNDV-UHFFFAOYSA-N -1 0 346.330 3.655 20 0 EHADRM O=C(Nc1cc(-c2ccco2)no1)Nc1cc(F)cc2c1OCOC2 ZINC001188834743 1134509133 /nfs/dbraw/zinc/50/91/33/1134509133.db2.gz CREWEFVZBZRWKE-UHFFFAOYSA-N -1 0 345.286 3.584 20 0 EHADRM O=C(OCc1cc(Cl)nc(Cl)c1)c1c(F)cc([O-])cc1F ZINC000746987700 1134516312 /nfs/dbraw/zinc/51/63/12/1134516312.db2.gz ZZLONKAIVLKFRD-UHFFFAOYSA-N -1 0 334.105 3.729 20 0 EHADRM O=S(=O)(CCc1ccc(Cl)cc1)[N-]c1cnc(C2CC2)s1 ZINC001189075456 1134541653 /nfs/dbraw/zinc/54/16/53/1134541653.db2.gz ILTJNBFQYOVVSP-UHFFFAOYSA-N -1 0 342.873 3.658 20 0 EHADRM C[C@@H](NC(=O)c1cc2sccc2c(O)c1)[C@H](O)c1ccc(F)cc1 ZINC000791389247 1134542207 /nfs/dbraw/zinc/54/22/07/1134542207.db2.gz YPRMBUUYQDVULZ-QGHHPUGFSA-N -1 0 345.395 3.598 20 0 EHADRM CCOc1ccccc1NS(=O)(=O)CCc1ccc(Cl)cc1 ZINC001189102968 1134544988 /nfs/dbraw/zinc/54/49/88/1134544988.db2.gz BETAOKSCDOSYBJ-UHFFFAOYSA-N -1 0 339.844 3.723 20 0 EHADRM CC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2[S-])c1 ZINC001189232130 1134553975 /nfs/dbraw/zinc/55/39/75/1134553975.db2.gz CYNFMTSZGRCEPL-UHFFFAOYSA-N -1 0 341.841 3.632 20 0 EHADRM CCc1cccc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)n1 ZINC001189356673 1134580159 /nfs/dbraw/zinc/58/01/59/1134580159.db2.gz SCVZJOQLHHRTFB-UHFFFAOYSA-N -1 0 330.384 3.737 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2C)c1 ZINC001189606016 1134605590 /nfs/dbraw/zinc/60/55/90/1134605590.db2.gz RFXYPGBOGHKVLG-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM O=C(Nc1ccn2ccnc2c1)c1cc(Br)ccc1[S-] ZINC001189952792 1134641317 /nfs/dbraw/zinc/64/13/17/1134641317.db2.gz HJLMPCKQTYSSOU-UHFFFAOYSA-N -1 0 348.225 3.638 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-]C(=O)C2(C)CCCCCC2)c(C)c1 ZINC000792061539 1134646891 /nfs/dbraw/zinc/64/68/91/1134646891.db2.gz XXVVCKFQQWDORC-UHFFFAOYSA-N -1 0 337.485 3.610 20 0 EHADRM O=S(=O)([N-]c1ccccc1-c1ccccc1)c1ncc(F)cc1F ZINC001190174320 1134667509 /nfs/dbraw/zinc/66/75/09/1134667509.db2.gz WWHCXSFQPRYNKO-UHFFFAOYSA-N -1 0 346.358 3.828 20 0 EHADRM Cc1c(O)cccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC001190325405 1134682855 /nfs/dbraw/zinc/68/28/55/1134682855.db2.gz HAYJQTREPZYZFX-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM O=S(=O)([N-]c1cc(C2CCCC2)no1)c1cc(F)cc(F)c1F ZINC001190349470 1134686924 /nfs/dbraw/zinc/68/69/24/1134686924.db2.gz NWKGILZXMCMIHU-UHFFFAOYSA-N -1 0 346.330 3.550 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)s1)c1cc(F)cc(F)c1F ZINC001190359449 1134687747 /nfs/dbraw/zinc/68/77/47/1134687747.db2.gz BXHLYATUJPQWLP-UHFFFAOYSA-N -1 0 327.736 3.620 20 0 EHADRM Cc1cc(NS(=O)(=O)c2ccc(C3CC3)cc2)cc2snnc21 ZINC001190506938 1134708197 /nfs/dbraw/zinc/70/81/97/1134708197.db2.gz ONELYKVLNXKAMQ-UHFFFAOYSA-N -1 0 345.449 3.678 20 0 EHADRM Cc1c(F)cccc1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000077899674 1134793678 /nfs/dbraw/zinc/79/36/78/1134793678.db2.gz KQEPZQFLMUVBMP-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM COc1cccc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)c1C ZINC001191185899 1134822328 /nfs/dbraw/zinc/82/23/28/1134822328.db2.gz FNEGTYYZBBKFRR-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cn(CC(C)C)cn2)cc1 ZINC001191231982 1134831974 /nfs/dbraw/zinc/83/19/74/1134831974.db2.gz BFFWIPQZZQRVQJ-UHFFFAOYSA-N -1 0 335.473 3.683 20 0 EHADRM C[C@@H]1CCC[C@@H](CC(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)C1 ZINC000747111025 1134904871 /nfs/dbraw/zinc/90/48/71/1134904871.db2.gz QOHZSBUBJGQDCL-HUUCEWRRSA-N -1 0 347.480 3.636 20 0 EHADRM Cc1cnc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2Cl)nc1C ZINC001191723077 1134905390 /nfs/dbraw/zinc/90/53/90/1134905390.db2.gz VMOFCNCUUGEPEQ-UHFFFAOYSA-N -1 0 346.239 3.509 20 0 EHADRM CCn1cc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2Cl)c(C)n1 ZINC001191728802 1134905600 /nfs/dbraw/zinc/90/56/00/1134905600.db2.gz MQQJYDDQGMGVGB-UHFFFAOYSA-N -1 0 348.255 3.627 20 0 EHADRM CCCCCCNC(=O)Nc1cc(Cl)c(C)cc1S(=O)(=O)[O-] ZINC001191980394 1134955299 /nfs/dbraw/zinc/95/52/99/1134955299.db2.gz SHUFNTAUSDKOCS-UHFFFAOYSA-N -1 0 348.852 3.597 20 0 EHADRM Cc1conc1[N-]S(=O)(=O)c1ccc(-c2ccc(C)cc2)cc1 ZINC001192063483 1134963565 /nfs/dbraw/zinc/96/35/65/1134963565.db2.gz MCLJEMUWNVNYLB-UHFFFAOYSA-N -1 0 328.393 3.759 20 0 EHADRM O=C(Nc1ccc(OC(F)F)cc1)Nc1cc([O-])c(F)c(F)c1 ZINC001192182436 1134982726 /nfs/dbraw/zinc/98/27/26/1134982726.db2.gz PIMXGWFOXMXONS-UHFFFAOYSA-N -1 0 330.237 3.916 20 0 EHADRM CC(C)(C)c1ccc(C(=O)Nc2cncc(C(F)(F)F)n2)c(O)c1 ZINC001192313365 1134996861 /nfs/dbraw/zinc/99/68/61/1134996861.db2.gz CKQIZDLZCOOEIL-UHFFFAOYSA-N -1 0 339.317 3.751 20 0 EHADRM Cc1ccc2cccnc2c1[N-]S(=O)(=O)c1cnc(Cl)c(C)c1 ZINC001192568472 1135030359 /nfs/dbraw/zinc/03/03/59/1135030359.db2.gz RDZYNZZYPZRXEI-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM O=C(Nc1ccc(OCC(F)(F)F)cc1)c1c(F)ccc(F)c1[O-] ZINC001192705630 1135049452 /nfs/dbraw/zinc/04/94/52/1135049452.db2.gz BTNKAKVVMMNUTB-UHFFFAOYSA-N -1 0 347.239 3.864 20 0 EHADRM COC(=O)c1cc(OC(F)(F)F)cc(-c2ccsc2C(=O)[O-])c1 ZINC001205605095 1135051567 /nfs/dbraw/zinc/05/15/67/1135051567.db2.gz FLKVYAISSNEWLX-UHFFFAOYSA-N -1 0 346.282 3.799 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(C(C)C)n2)c1 ZINC001192765599 1135051981 /nfs/dbraw/zinc/05/19/81/1135051981.db2.gz DSDUVPIOPJCFPJ-UHFFFAOYSA-N -1 0 334.441 3.577 20 0 EHADRM CC1(C)CC(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)C1 ZINC001192809366 1135056690 /nfs/dbraw/zinc/05/66/90/1135056690.db2.gz KAOOEEDKCCXIOV-UHFFFAOYSA-N -1 0 326.220 3.599 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)c1 ZINC001192816288 1135058230 /nfs/dbraw/zinc/05/82/30/1135058230.db2.gz LYMKNYDUNZZRHP-UHFFFAOYSA-N -1 0 344.436 3.550 20 0 EHADRM O=C(Nc1ccc(OCC(F)(F)F)cc1)c1ccc([O-])c(F)c1F ZINC001192841486 1135064083 /nfs/dbraw/zinc/06/40/83/1135064083.db2.gz NUSZDCHLMMJJLU-UHFFFAOYSA-N -1 0 347.239 3.864 20 0 EHADRM C[C@H](NC(=O)c1ccc([O-])c(F)c1F)c1nc(-c2ccccc2)c[nH]1 ZINC001192842910 1135064134 /nfs/dbraw/zinc/06/41/34/1135064134.db2.gz PDCBKIHFYOXIJZ-JTQLQIEISA-N -1 0 343.333 3.552 20 0 EHADRM Cc1c(Cl)cc(NC(=O)c2cc(Cl)nn2C)c([O-])c1Cl ZINC001192916392 1135073558 /nfs/dbraw/zinc/07/35/58/1135073558.db2.gz WMHBFZVADXDZIX-UHFFFAOYSA-N -1 0 334.590 3.647 20 0 EHADRM CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)c2cc(=O)[nH][n-]2)cc1O ZINC001193472443 1135140935 /nfs/dbraw/zinc/14/09/35/1135140935.db2.gz AMPAAEYOSOANRX-UHFFFAOYSA-N -1 0 331.416 3.668 20 0 EHADRM CCc1ccc(NC(=O)c2n[n-]c3ccccc3c2=O)cc1Cl ZINC000804649033 1135152909 /nfs/dbraw/zinc/15/29/09/1135152909.db2.gz PPTXPKCEBYEREB-UHFFFAOYSA-N -1 0 327.771 3.804 20 0 EHADRM Cn1ccnc1S(=O)(=O)[N-]c1ccc(-c2ccccc2)cc1Cl ZINC001193610920 1135158803 /nfs/dbraw/zinc/15/88/03/1135158803.db2.gz ZZTMMGWNXZHYKP-UHFFFAOYSA-N -1 0 347.827 3.541 20 0 EHADRM O=C(Nc1ccc(S(=O)(=O)[O-])c2ccccc12)OC1CCCCC1 ZINC001193632636 1135162424 /nfs/dbraw/zinc/16/24/24/1135162424.db2.gz MJVXYAHZGABTKO-UHFFFAOYSA-N -1 0 349.408 3.968 20 0 EHADRM O=C(NCC1(c2ccc(Cl)cc2)CC1)c1ccc(F)c([O-])c1F ZINC001193792901 1135181239 /nfs/dbraw/zinc/18/12/39/1135181239.db2.gz GYGGYHCEYOYVEG-UHFFFAOYSA-N -1 0 337.753 3.785 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2cccc(CO)c2F)c2ccccc12 ZINC001193863017 1135197792 /nfs/dbraw/zinc/19/77/92/1135197792.db2.gz HGRWWAPCBBUABC-UHFFFAOYSA-N -1 0 345.395 3.580 20 0 EHADRM O=C(Nc1nc(C2CCOCC2)cs1)c1c([O-])cccc1Cl ZINC000804818310 1135202793 /nfs/dbraw/zinc/20/27/93/1135202793.db2.gz OMBUZZBYADULSD-UHFFFAOYSA-N -1 0 338.816 3.648 20 0 EHADRM CCCC[C@H](CC)COC(=O)Nc1cccc(S(=O)(=O)[O-])c1 ZINC001193966903 1135207703 /nfs/dbraw/zinc/20/77/03/1135207703.db2.gz COUJKVKRTVXTHD-LBPRGKRZSA-N -1 0 329.418 3.698 20 0 EHADRM CCn1cnc([N-]S(=O)(=O)c2ccc3c(Cl)cccc3c2)c1 ZINC001194226427 1135247191 /nfs/dbraw/zinc/24/71/91/1135247191.db2.gz ZKDIZYZEZGKELB-UHFFFAOYSA-N -1 0 335.816 3.510 20 0 EHADRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1cccc(C(C)C)n1 ZINC001194261597 1135251033 /nfs/dbraw/zinc/25/10/33/1135251033.db2.gz VJDBZBKQVBWZON-UHFFFAOYSA-N -1 0 336.395 3.657 20 0 EHADRM CCOc1ccc(C(=O)Nc2cc(Cl)c([O-])cc2F)cc1OC ZINC000805256433 1135253841 /nfs/dbraw/zinc/25/38/41/1135253841.db2.gz HHYUENQHTBYDHN-UHFFFAOYSA-N -1 0 339.750 3.844 20 0 EHADRM CC(C)(C)COC(=O)Nc1cc(I)ccc1O ZINC001194385213 1135262871 /nfs/dbraw/zinc/26/28/71/1135262871.db2.gz KQAZMHMHVRLLJB-UHFFFAOYSA-N -1 0 349.168 3.591 20 0 EHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccccc1OCC1CC1 ZINC001194641789 1135295519 /nfs/dbraw/zinc/29/55/19/1135295519.db2.gz AFJKAKIPTWSINB-UHFFFAOYSA-N -1 0 331.437 3.893 20 0 EHADRM CCC(CC)COC(=O)Nc1ccc(Cl)cc1S(=O)(=O)[O-] ZINC001194708505 1135310839 /nfs/dbraw/zinc/31/08/39/1135310839.db2.gz BIZWYUDLXVQHES-UHFFFAOYSA-N -1 0 335.809 3.571 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cnc1Cl ZINC001195120904 1135373220 /nfs/dbraw/zinc/37/32/20/1135373220.db2.gz XNONPEOBVNTOQN-UHFFFAOYSA-N -1 0 340.832 3.668 20 0 EHADRM Cc1cccc2ncc([N-]S(=O)(=O)c3cccc(C(C)C)c3)n21 ZINC001195120693 1135373285 /nfs/dbraw/zinc/37/32/85/1135373285.db2.gz ODSGWYHJPDGOPC-UHFFFAOYSA-N -1 0 329.425 3.567 20 0 EHADRM CN(CCOc1cccc(Cl)c1)C(=O)c1cccc(Cl)c1[O-] ZINC000775645187 1135392881 /nfs/dbraw/zinc/39/28/81/1135392881.db2.gz YRFUSFXECSEBML-UHFFFAOYSA-N -1 0 340.206 3.850 20 0 EHADRM COc1cc(Cl)nc([N-]S(=O)(=O)c2c(C)cccc2Cl)c1 ZINC001195277360 1135404125 /nfs/dbraw/zinc/40/41/25/1135404125.db2.gz GJRSCWXRRCRUAZ-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM COc1cc(Cl)ncc1[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC001195284418 1135407319 /nfs/dbraw/zinc/40/73/19/1135407319.db2.gz MJOZQKHTVWNBRP-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(Cl)c(CO)c1 ZINC001195316376 1135412950 /nfs/dbraw/zinc/41/29/50/1135412950.db2.gz AKVFUOAGLADNSN-UHFFFAOYSA-N -1 0 346.235 3.595 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2c(C)cccc2Cl)cc(F)c1F ZINC001195316886 1135413511 /nfs/dbraw/zinc/41/35/11/1135413511.db2.gz WWZZJSSZDDIBJI-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM COc1ccc(CCCN(C)C(=O)c2cccc(Cl)c2[O-])cc1 ZINC000775668529 1135455073 /nfs/dbraw/zinc/45/50/73/1135455073.db2.gz DIKSNYWBPQUZFO-UHFFFAOYSA-N -1 0 333.815 3.759 20 0 EHADRM CC(C)n1ncc2c1nc(/C=C\c1ccc(Cl)nc1)cc2C(=O)[O-] ZINC000806560789 1135460139 /nfs/dbraw/zinc/46/01/39/1135460139.db2.gz QMYMKZXUQASLDZ-HYXAFXHYSA-N -1 0 342.786 3.929 20 0 EHADRM COc1c(Cl)cc(Cl)cc1[N-]S(=O)(=O)c1ccc(O)cc1 ZINC001195808338 1135473613 /nfs/dbraw/zinc/47/36/13/1135473613.db2.gz XSUHEEUIJLPWGK-UHFFFAOYSA-N -1 0 348.207 3.508 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)/C=C\c2ccc(C)cc2)cc1C ZINC000775679334 1135503703 /nfs/dbraw/zinc/50/37/03/1135503703.db2.gz XSBNYOUOUQJARZ-BMSUMIBZSA-N -1 0 333.457 3.884 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ncnc(Cl)c2C(C)C)c(F)c1 ZINC001196356993 1135551188 /nfs/dbraw/zinc/55/11/88/1135551188.db2.gz XTURJXBHLVYZPY-UHFFFAOYSA-N -1 0 343.811 3.502 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCCC3=O)c(F)c1 ZINC001196383054 1135552681 /nfs/dbraw/zinc/55/26/81/1135552681.db2.gz IDQNXSYGOHWIBN-UHFFFAOYSA-N -1 0 347.411 3.844 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc3cc(O)ccc32)c(F)c1 ZINC001196383775 1135552689 /nfs/dbraw/zinc/55/26/89/1135552689.db2.gz KTWHTFKTTRZPDK-UHFFFAOYSA-N -1 0 331.368 3.794 20 0 EHADRM O=C(Nc1ccc(Cc2ccncc2)cc1)c1cc(Cl)ncc1[O-] ZINC001196396238 1135555114 /nfs/dbraw/zinc/55/51/14/1135555114.db2.gz QHBXVMPCSVKWQT-UHFFFAOYSA-N -1 0 339.782 3.679 20 0 EHADRM O=C(NCc1ccc(-c2c[nH]cn2)cc1)c1cc(Cl)c(F)cc1[O-] ZINC001196483995 1135567728 /nfs/dbraw/zinc/56/77/28/1135567728.db2.gz OQGLBKOVQPIQJG-UHFFFAOYSA-N -1 0 345.761 3.505 20 0 EHADRM O=C(Nc1cc(-c2ccccc2)cnn1)c1cc(Cl)c(F)cc1[O-] ZINC001196457924 1135569075 /nfs/dbraw/zinc/56/90/75/1135569075.db2.gz CNQXAGXIXWVMAA-UHFFFAOYSA-N -1 0 343.745 3.894 20 0 EHADRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cc(OC)ccc2F)on1 ZINC001196720362 1135599723 /nfs/dbraw/zinc/59/97/23/1135599723.db2.gz JPTDOMUZMPSECC-SNVBAGLBSA-N -1 0 342.392 3.527 20 0 EHADRM CC(=O)Nc1c[nH]c(C(=O)Nc2cc(Cl)c(C)c(Cl)c2[O-])c1 ZINC001196881447 1135621602 /nfs/dbraw/zinc/62/16/02/1135621602.db2.gz YEGQUDNYMKXJED-UHFFFAOYSA-N -1 0 342.182 3.546 20 0 EHADRM CC(C)(C)c1nc(C(=O)Nc2ccc3[n-]c(=S)sc3c2)no1 ZINC001196988631 1135638068 /nfs/dbraw/zinc/63/80/68/1135638068.db2.gz KVRCURAQWZVQLL-UHFFFAOYSA-N -1 0 334.426 3.518 20 0 EHADRM CCCOc1ccc(CNC(=S)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001197129430 1135647940 /nfs/dbraw/zinc/64/79/40/1135647940.db2.gz YLBQEWTXOSHOSE-UHFFFAOYSA-N -1 0 344.436 3.660 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NCCCc2cccc(Cl)c2)cc1 ZINC001197129511 1135648250 /nfs/dbraw/zinc/64/82/50/1135648250.db2.gz BVRPZPPCAHMSNO-UHFFFAOYSA-N -1 0 348.855 3.957 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N2CCCC3(CC(F)C3)CC2)cc1 ZINC001197102810 1135650170 /nfs/dbraw/zinc/65/01/70/1135650170.db2.gz DUYQWZYXDHZTST-UHFFFAOYSA-N -1 0 336.432 3.686 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2ccc3c(c2)C(=O)CCC3)cc1 ZINC001197113328 1135651490 /nfs/dbraw/zinc/65/14/90/1135651490.db2.gz QPZFGJOJMOGDPV-UHFFFAOYSA-N -1 0 340.404 3.713 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2ccc3c(c2)CCCC3=O)cc1 ZINC001197116128 1135651539 /nfs/dbraw/zinc/65/15/39/1135651539.db2.gz PDYGWLZUPYTZNL-UHFFFAOYSA-N -1 0 340.404 3.713 20 0 EHADRM CC(C)c1ccc(CNC(=S)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001197128184 1135653260 /nfs/dbraw/zinc/65/32/60/1135653260.db2.gz IJMLOINJCZDTFD-UHFFFAOYSA-N -1 0 328.437 3.995 20 0 EHADRM Cc1ccc(Cl)cc1CNC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197128743 1135653399 /nfs/dbraw/zinc/65/33/99/1135653399.db2.gz OKSBAEDLTYHZPD-UHFFFAOYSA-N -1 0 334.828 3.833 20 0 EHADRM Cc1ccn(-c2ccccc2NC(=O)c2cccc(Cl)c2[O-])n1 ZINC000775772557 1135686997 /nfs/dbraw/zinc/68/69/97/1135686997.db2.gz GDSLVTDKINJZEX-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)c1 ZINC001197955862 1135757580 /nfs/dbraw/zinc/75/75/80/1135757580.db2.gz IMHVNPWJMVENGM-UHFFFAOYSA-N -1 0 340.404 3.983 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2cc(C)cc(C(F)(F)F)c2)c1 ZINC001198000456 1135760149 /nfs/dbraw/zinc/76/01/49/1135760149.db2.gz YFZMHRZQGVQAOT-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM Cc1cc(C(=O)Nc2ccccc2[S-])n(Cc2ccccc2F)n1 ZINC001198073614 1135769181 /nfs/dbraw/zinc/76/91/81/1135769181.db2.gz BXKAKURHYDAIJV-UHFFFAOYSA-N -1 0 341.411 3.920 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1cccc(Cl)n1 ZINC001198234085 1135789932 /nfs/dbraw/zinc/78/99/32/1135789932.db2.gz IATNIGAUKHIGGZ-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM CCc1cccc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c1 ZINC000081668851 1135807452 /nfs/dbraw/zinc/80/74/52/1135807452.db2.gz OYIFEWXNCIJPDP-UHFFFAOYSA-N -1 0 331.224 3.752 20 0 EHADRM Cc1ccnc([N-]S(=O)(=O)c2ccccc2Oc2ccccc2)c1 ZINC001198432079 1135813569 /nfs/dbraw/zinc/81/35/69/1135813569.db2.gz CZHXDHLQSCRGNZ-UHFFFAOYSA-N -1 0 340.404 3.983 20 0 EHADRM CC(C)([N-]C(=O)C(F)(F)F)c1nc(-c2cccc(C(F)F)c2)no1 ZINC000809480464 1135843438 /nfs/dbraw/zinc/84/34/38/1135843438.db2.gz PEXHPOIYZFUUOC-UHFFFAOYSA-N -1 0 349.259 3.588 20 0 EHADRM Cc1ccc2ncc(-c3noc(-c4cccc(Cl)c4[O-])n3)n2c1 ZINC000809531077 1135847694 /nfs/dbraw/zinc/84/76/94/1135847694.db2.gz DDZZLRUDSIKOSK-UHFFFAOYSA-N -1 0 326.743 3.719 20 0 EHADRM CC(C)N([C@@H](C)c1ccccc1)S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198773337 1135856136 /nfs/dbraw/zinc/85/61/36/1135856136.db2.gz XIHJGTGLBTTYNI-AWEZNQCLSA-N -1 0 347.436 3.545 20 0 EHADRM COc1cc(Nc2cc(F)c(C(=O)[O-])c(F)c2)ncc1C(F)(F)F ZINC001203322673 1135912469 /nfs/dbraw/zinc/91/24/69/1135912469.db2.gz JEPGHBGGBHWCON-UHFFFAOYSA-N -1 0 348.227 3.829 20 0 EHADRM COc1cc(C)c(C(=O)Nc2cc(Cl)c(C)c(Cl)c2[O-])cn1 ZINC001199707873 1135921486 /nfs/dbraw/zinc/92/14/86/1135921486.db2.gz JZVYHYQGNMIUIA-UHFFFAOYSA-N -1 0 341.194 3.972 20 0 EHADRM O=C([O-])c1c(F)cc(Nc2ccc(C(=O)N3CCCC3)cc2)cc1F ZINC001203324135 1135957932 /nfs/dbraw/zinc/95/79/32/1135957932.db2.gz DTAIWOSUYBXYOW-UHFFFAOYSA-N -1 0 346.333 3.643 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)c(C)n1 ZINC001201244961 1135998754 /nfs/dbraw/zinc/99/87/54/1135998754.db2.gz XLASWFHRUOXMRR-UHFFFAOYSA-N -1 0 349.214 3.945 20 0 EHADRM COC(=O)c1ccc(Nc2cc(F)c(C(=O)[O-])c(F)c2)cc1Cl ZINC001203325113 1136054880 /nfs/dbraw/zinc/05/48/80/1136054880.db2.gz XVMOLVNTQFQZQZ-UHFFFAOYSA-N -1 0 341.697 3.847 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cc1)c1cccc(F)c1Br ZINC001201771723 1136061570 /nfs/dbraw/zinc/06/15/70/1136061570.db2.gz CZIAGQJGIGWMAM-UHFFFAOYSA-N -1 0 348.168 3.528 20 0 EHADRM CC(C)OCc1cc(NC(=O)c2cc(F)c([O-])c(F)c2)ccc1O ZINC000811596204 1136109552 /nfs/dbraw/zinc/10/95/52/1136109552.db2.gz DAZBDSMFYKZCKL-UHFFFAOYSA-N -1 0 337.322 3.553 20 0 EHADRM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2ccnc(Cl)c2C)c1 ZINC000811835739 1136142630 /nfs/dbraw/zinc/14/26/30/1136142630.db2.gz MLYWBRLIHKZTRD-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccccn2)cc1)c1ccc(Cl)nc1 ZINC000811839211 1136143949 /nfs/dbraw/zinc/14/39/49/1136143949.db2.gz SKLPXAHUVIXAKA-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N(Cc2cccs2)C2CC2)c1 ZINC000811814477 1136144675 /nfs/dbraw/zinc/14/46/75/1136144675.db2.gz KZJPXDLWAOVXIG-UHFFFAOYSA-N -1 0 335.812 3.905 20 0 EHADRM C[C@@H](NC(=O)c1cc(C(=O)[O-])ccc1Cl)[C@@H](C)c1ccccc1 ZINC000811820306 1136145379 /nfs/dbraw/zinc/14/53/79/1136145379.db2.gz VCTMGHMFXGSBLZ-VXGBXAGGSA-N -1 0 331.799 3.960 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)Nc2cccc(-c3ncco3)c2)c1 ZINC000811821699 1136145427 /nfs/dbraw/zinc/14/54/27/1136145427.db2.gz NKPJIFRPUHRGQR-UHFFFAOYSA-N -1 0 342.738 3.946 20 0 EHADRM CC1(C)CN(C(=O)c2cc(C(=O)[O-])ccc2Cl)c2ccccc21 ZINC000811823263 1136145872 /nfs/dbraw/zinc/14/58/72/1136145872.db2.gz PSMHJFPTMGLRGK-UHFFFAOYSA-N -1 0 329.783 3.976 20 0 EHADRM CCOc1cc(C)ccc1CNC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811822363 1136146089 /nfs/dbraw/zinc/14/60/89/1136146089.db2.gz GJNBLMAGFFUIES-UHFFFAOYSA-N -1 0 347.798 3.675 20 0 EHADRM CCC(=O)Nc1ccccc1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000812534093 1136218274 /nfs/dbraw/zinc/21/82/74/1136218274.db2.gz ZPFVFKUNMUOQFI-UHFFFAOYSA-N -1 0 341.392 3.717 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)Cc2c[nH]c3cc(C)ccc23)c1 ZINC000812709190 1136236345 /nfs/dbraw/zinc/23/63/45/1136236345.db2.gz YFRPNWREUCPAQF-UHFFFAOYSA-N -1 0 336.391 3.956 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)CCC(C)(C)C)c(F)c1F ZINC000813196390 1136302595 /nfs/dbraw/zinc/30/25/95/1136302595.db2.gz SNMFVSAYZLVQJG-NSHDSACASA-N -1 0 347.427 3.541 20 0 EHADRM Cc1cc(F)ccc1CS(=O)(=O)[N-]C(=O)c1ccccc1C(C)C ZINC000850986514 1136325454 /nfs/dbraw/zinc/32/54/54/1136325454.db2.gz OZUTUVFNRDWCCC-UHFFFAOYSA-N -1 0 349.427 3.517 20 0 EHADRM O=S(=O)([N-]c1ccc(OC(F)(F)F)cc1C1CC1)C(F)(F)F ZINC001252364148 1136337163 /nfs/dbraw/zinc/33/71/63/1136337163.db2.gz ABHDOMAGMRTYCD-UHFFFAOYSA-N -1 0 349.252 3.724 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H](C)c1cccc(C)c1 ZINC000814016592 1136386513 /nfs/dbraw/zinc/38/65/13/1136386513.db2.gz NPVXXPFIYAAUQQ-CRAIPNDOSA-N -1 0 345.464 3.696 20 0 EHADRM CC(C)c1cccc(-c2ccc(C(=O)[N-]S(=O)(=O)CC3CC3)o2)c1 ZINC000776529379 1136386971 /nfs/dbraw/zinc/38/69/71/1136386971.db2.gz YJQDYIAYWADOHB-UHFFFAOYSA-N -1 0 347.436 3.540 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC000814019633 1136387257 /nfs/dbraw/zinc/38/72/57/1136387257.db2.gz FWDXWRUVNRYYPB-CKEIUWERSA-N -1 0 337.485 3.656 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1ccc(/C=C\C(=O)[O-])o1)c1ccccc1 ZINC000851593536 1136395155 /nfs/dbraw/zinc/39/51/55/1136395155.db2.gz ZTJUFXNNEONFIA-HGPCXVNDSA-N -1 0 327.380 3.895 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N2CCC[C@H]2CC2CCCCC2)o1 ZINC000851595862 1136395302 /nfs/dbraw/zinc/39/53/02/1136395302.db2.gz QYIUSIMQPNOGDR-GDXASINISA-N -1 0 331.412 3.952 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)NCC2(c3ccccc3)CCCC2)o1 ZINC000851594908 1136395435 /nfs/dbraw/zinc/39/54/35/1136395435.db2.gz NBIIXZOBLKRSFQ-LUAWRHEFSA-N -1 0 339.391 3.619 20 0 EHADRM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccc(/C=C\C(=O)[O-])o2)C1 ZINC000851604098 1136395679 /nfs/dbraw/zinc/39/56/79/1136395679.db2.gz LGOACKPLXBSIBR-KKPXWRBNSA-N -1 0 343.354 3.740 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1cccc(SC(F)(F)F)c1 ZINC000851625915 1136396840 /nfs/dbraw/zinc/39/68/40/1136396840.db2.gz YKFYWFSWVVMKSW-FZMZJTMJSA-N -1 0 347.358 3.672 20 0 EHADRM CCOC(=O)c1[n-]c(NC(=O)C[C@H](CC)c2ccccc2)nc1Cl ZINC001134101837 1136406869 /nfs/dbraw/zinc/40/68/69/1136406869.db2.gz WAXMRAHJKAKJGE-NSHDSACASA-N -1 0 349.818 3.762 20 0 EHADRM CSCc1cc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)ccc1F ZINC000776595798 1136457869 /nfs/dbraw/zinc/45/78/69/1136457869.db2.gz SAMIMRBFYPVJLG-UHFFFAOYSA-N -1 0 345.395 3.590 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCC1CCCCC1)c1ccc(F)cc1F ZINC000776657831 1136527202 /nfs/dbraw/zinc/52/72/02/1136527202.db2.gz QSAAPYKOZSDGDU-MRXNPFEDSA-N -1 0 339.382 3.957 20 0 EHADRM C[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1F)c1ccccc1 ZINC000776659571 1136529863 /nfs/dbraw/zinc/52/98/63/1136529863.db2.gz GKDWRYYZUHNMOO-YVEFUNNKSA-N -1 0 347.361 3.791 20 0 EHADRM CCN(C(=O)c1ccc([O-])c(Cl)c1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000854566413 1136628715 /nfs/dbraw/zinc/62/87/15/1136628715.db2.gz WGOLULKWTQGTDQ-SJKOYZFVSA-N -1 0 333.815 3.630 20 0 EHADRM Cc1c(C(=O)[N-]S(=O)(=O)c2cccc(C(C)C)c2)ccn1C(C)C ZINC000815992759 1136660820 /nfs/dbraw/zinc/66/08/20/1136660820.db2.gz WNSYXJFGJIGUBY-UHFFFAOYSA-N -1 0 348.468 3.620 20 0 EHADRM CC(C)(CC(=O)[N-]S(=O)(=O)c1csc2ccccc21)C1CC1 ZINC000816083013 1136670885 /nfs/dbraw/zinc/67/08/85/1136670885.db2.gz XERPYVVCGXNCJT-UHFFFAOYSA-N -1 0 337.466 3.533 20 0 EHADRM Cc1oc(C)c(C(=O)[N-]S(=O)(=O)[C@@H](c2ccccc2)C(C)C)c1C ZINC000816112796 1136677620 /nfs/dbraw/zinc/67/76/20/1136677620.db2.gz CJOPGFJUFBLXRJ-QGZVFWFLSA-N -1 0 349.452 3.662 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)Nc3ccc(F)cc3)c([O-])c2)o1 ZINC001135421578 1136685088 /nfs/dbraw/zinc/68/50/88/1136685088.db2.gz MVLHSFRLBWDYCV-UHFFFAOYSA-N -1 0 325.295 3.856 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000855600656 1136712238 /nfs/dbraw/zinc/71/22/38/1136712238.db2.gz LEPKJFADXCWBLV-INIZCTEOSA-N -1 0 347.798 3.633 20 0 EHADRM O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc2oc(=S)[n-]c2c1 ZINC000816843764 1136756289 /nfs/dbraw/zinc/75/62/89/1136756289.db2.gz AWHOMLLZYKKBLS-UHFFFAOYSA-N -1 0 328.437 3.815 20 0 EHADRM COc1ccc([C@H](C)NC(=O)c2ccc3oc(=S)[n-]c3c2)cc1F ZINC000816823332 1136758299 /nfs/dbraw/zinc/75/82/99/1136758299.db2.gz QQXSVTVDQLYWGP-VIFPVBQESA-N -1 0 346.383 3.755 20 0 EHADRM Cc1ccccc1OCCN(C)C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000816826302 1136758513 /nfs/dbraw/zinc/75/85/13/1136758513.db2.gz CNMDLMKMUOPGBS-UHFFFAOYSA-N -1 0 342.420 3.576 20 0 EHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N(Cc1cccs1)C1CC1 ZINC000816855920 1136758978 /nfs/dbraw/zinc/75/89/78/1136758978.db2.gz VQKMHCVSBVEHMZ-UHFFFAOYSA-N -1 0 330.434 3.983 20 0 EHADRM CCOCCC1(CNC(=O)c2ccc3oc(=S)[n-]c3c2)CCCC1 ZINC000816947528 1136765988 /nfs/dbraw/zinc/76/59/88/1136765988.db2.gz UBPAJZOTGWYDAU-UHFFFAOYSA-N -1 0 348.468 3.833 20 0 EHADRM O=C(NCCc1cc2ccccc2o1)c1ccc2oc(=S)[n-]c2c1 ZINC000816932381 1136767425 /nfs/dbraw/zinc/76/74/25/1136767425.db2.gz KIILOVUNBKIREM-UHFFFAOYSA-N -1 0 338.388 3.835 20 0 EHADRM CCO[C@@H](CNC(=O)c1ccc2oc(=S)[n-]c2c1)c1ccccc1 ZINC000816974068 1136768825 /nfs/dbraw/zinc/76/88/25/1136768825.db2.gz QOABGEKRVBEFKP-INIZCTEOSA-N -1 0 342.420 3.624 20 0 EHADRM c1cn(Cc2ccccn2)nc1[N-]c1nc(C2CCCCC2)ns1 ZINC000817117513 1136780326 /nfs/dbraw/zinc/78/03/26/1136780326.db2.gz LKIXLUAZUTZLKA-UHFFFAOYSA-N -1 0 340.456 3.969 20 0 EHADRM C[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000114621747 1136813980 /nfs/dbraw/zinc/81/39/80/1136813980.db2.gz QQDPGMKAWRPIMT-CQSZACIVSA-N -1 0 347.480 3.636 20 0 EHADRM C[C@@H](O[C@H](C)C(=O)Nc1ccc(SC(C)(C)C)c(F)c1)C(=O)[O-] ZINC000817571501 1136820818 /nfs/dbraw/zinc/82/08/18/1136820818.db2.gz GJXRWSMVEZSLOP-NXEZZACHSA-N -1 0 343.420 3.533 20 0 EHADRM C[C@H](NC(=O)CC1(CC(=O)[O-])CCC1)c1ccccc1C(F)(F)F ZINC000817572659 1136821244 /nfs/dbraw/zinc/82/12/44/1136821244.db2.gz VWQMSNHGBOANOU-NSHDSACASA-N -1 0 343.345 3.918 20 0 EHADRM O=C([O-])[C@H]1CC[C@@H](c2ccccc2)N1C(=O)c1cc2c(s1)CCC2 ZINC000856978375 1136829694 /nfs/dbraw/zinc/82/96/94/1136829694.db2.gz HJYCBAWSBWBSLL-LSDHHAIUSA-N -1 0 341.432 3.667 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)ccc1N1CCCCC1 ZINC000817867875 1136842361 /nfs/dbraw/zinc/84/23/61/1136842361.db2.gz AADUJWPJZRAYEH-RBSFLKMASA-N -1 0 342.439 3.750 20 0 EHADRM C[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])C1 ZINC000820447581 1136992463 /nfs/dbraw/zinc/99/24/63/1136992463.db2.gz YOXCIWJGPRAPNH-CHWSQXEVSA-N -1 0 327.380 3.725 20 0 EHADRM CC(C)(C)c1ccc([C@H](O)CNC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000116456899 1136999039 /nfs/dbraw/zinc/99/90/39/1136999039.db2.gz KECGIKXYTAXZSI-QGZVFWFLSA-N -1 0 347.842 3.807 20 0 EHADRM CC[C@@H](C(=O)[N-]O[C@@H]1CCCCO1)c1ccc(Br)cc1 ZINC000858986004 1136999556 /nfs/dbraw/zinc/99/95/56/1136999556.db2.gz BEAYCCVTWXGYJQ-ZIAGYGMSSA-N -1 0 342.233 3.517 20 0 EHADRM CC[C@H]1CC[C@@H](C)N1C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000821540472 1137031426 /nfs/dbraw/zinc/03/14/26/1137031426.db2.gz GXYNODDJIQESMH-OCCSQVGLSA-N -1 0 327.380 3.868 20 0 EHADRM O=C([O-])[C@@]1(F)CC[N@H+](Cc2ccc(Oc3cccc(F)c3)cc2)C1 ZINC000859810833 1137031521 /nfs/dbraw/zinc/03/15/21/1137031521.db2.gz VGLUHNSEHOWGCA-GOSISDBHSA-N -1 0 333.334 3.617 20 0 EHADRM CC[C@@H]1[C@H](C)CCN1C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000822072241 1137048805 /nfs/dbraw/zinc/04/88/05/1137048805.db2.gz GKPWXDXQUOTHPR-MLGOLLRUSA-N -1 0 327.380 3.725 20 0 EHADRM CC[C@@H](C(=O)[N-]OCc1cccnc1)c1ccc(Br)cc1 ZINC000860313081 1137054727 /nfs/dbraw/zinc/05/47/27/1137054727.db2.gz RUXNSCBGUOWTFP-OAHLLOKOSA-N -1 0 349.228 3.586 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N3CC[C@](C(=O)[O-])(C(C)C)C3)[nH]c2c1 ZINC000823354298 1137096079 /nfs/dbraw/zinc/09/60/79/1137096079.db2.gz BHDIEKPFQDBELR-HXUWFJFHSA-N -1 0 342.439 3.864 20 0 EHADRM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000823417123 1137096975 /nfs/dbraw/zinc/09/69/75/1137096975.db2.gz HOLYUQCNOMOYND-QMTHXVAHSA-N -1 0 344.238 3.730 20 0 EHADRM C[C@@H]1CC(C)(C)CN1C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000823600397 1137106274 /nfs/dbraw/zinc/10/62/74/1137106274.db2.gz SPBLQQIXVHFCHX-GFCCVEGCSA-N -1 0 327.380 3.725 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])[C@H](C)C1 ZINC000823794808 1137115022 /nfs/dbraw/zinc/11/50/22/1137115022.db2.gz ZRHITZFALGZEPZ-CHWSQXEVSA-N -1 0 327.380 3.725 20 0 EHADRM CC(C)[C@H](NC(=O)c1ccc2oc(=O)nc-2[n-]1)c1ccccc1Cl ZINC001136785376 1137116114 /nfs/dbraw/zinc/11/61/14/1137116114.db2.gz YMENYNDBICPEPH-AWEZNQCLSA-N -1 0 345.786 3.709 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cnn(C(C)C)c2Cl)c1 ZINC000861789366 1137121042 /nfs/dbraw/zinc/12/10/42/1137121042.db2.gz GINCGRRZXCINRQ-UHFFFAOYSA-N -1 0 335.791 3.668 20 0 EHADRM CC[C@@H](C)c1cccc(NC(=O)C(=O)[N-]OCc2ccc(F)cc2)c1 ZINC000861801451 1137121202 /nfs/dbraw/zinc/12/12/02/1137121202.db2.gz PXKMHZVLHKQBPD-CYBMUJFWSA-N -1 0 344.386 3.526 20 0 EHADRM Cc1cccc([C@@H](C)CNC(=O)c2cccc(Br)c2[O-])c1 ZINC001136911714 1137145747 /nfs/dbraw/zinc/14/57/47/1137145747.db2.gz DGNLXQZDPNSOFS-LBPRGKRZSA-N -1 0 348.240 3.997 20 0 EHADRM C[C@@H](NC(=O)c1ccc(Cl)c([O-])c1)c1cccc(-n2cccn2)c1 ZINC001137008592 1137170380 /nfs/dbraw/zinc/17/03/80/1137170380.db2.gz CRKCKAHHQBHYCP-GFCCVEGCSA-N -1 0 341.798 3.722 20 0 EHADRM CC(C)N(C)C(=O)c1ccccc1NC(=O)c1c([O-])cccc1Cl ZINC001143756194 1137197689 /nfs/dbraw/zinc/19/76/89/1137197689.db2.gz CNLJXBMJQJQBGE-UHFFFAOYSA-N -1 0 346.814 3.778 20 0 EHADRM CC(C)CC[C@H]1CCCCN1C(=O)CSc1n[n-]c(=S)s1 ZINC000119568489 1137197769 /nfs/dbraw/zinc/19/77/69/1137197769.db2.gz SAYOPEIQFRJOSI-LLVKDONJSA-N -1 0 345.559 3.736 20 0 EHADRM CCCCC[C@@H](C)CC(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC000844156429 1137199864 /nfs/dbraw/zinc/19/98/64/1137199864.db2.gz HPGHTGUKMIKMQP-CYBMUJFWSA-N -1 0 332.444 3.880 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc(C3SCCS3)c2)CCCC1 ZINC000844155892 1137200062 /nfs/dbraw/zinc/20/00/62/1137200062.db2.gz ZQNCCRKAVPHENG-UHFFFAOYSA-N -1 0 337.466 3.749 20 0 EHADRM O=C([O-])C1CCC(CC(=O)NCc2cc3c(s2)CCCC3)CC1 ZINC000844155197 1137200144 /nfs/dbraw/zinc/20/01/44/1137200144.db2.gz MKMUSSBMYPUENT-UHFFFAOYSA-N -1 0 335.469 3.524 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)/C=C/C2CCCC2)CC1 ZINC000844240262 1137206513 /nfs/dbraw/zinc/20/65/13/1137206513.db2.gz AHLPMDCPAFPPHX-MDZDMXLPSA-N -1 0 327.424 3.837 20 0 EHADRM CC(C)C[C@@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1cccs1 ZINC000864105520 1137215188 /nfs/dbraw/zinc/21/51/88/1137215188.db2.gz DOPLQSOHNMOELT-STMXVASLSA-N -1 0 333.409 3.956 20 0 EHADRM CCCOCc1ccccc1CNC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000864105237 1137215299 /nfs/dbraw/zinc/21/52/99/1137215299.db2.gz QHUSWBCPVJKBND-UHFFFAOYSA-N -1 0 341.407 3.550 20 0 EHADRM O=C([O-])CCCCCNC(=O)CCc1ccc(F)c2ccccc12 ZINC000864120572 1137216051 /nfs/dbraw/zinc/21/60/51/1137216051.db2.gz YWAHFUPOLYRUPC-UHFFFAOYSA-N -1 0 331.387 3.673 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)/C=C\c1csc(C(F)(F)F)c1 ZINC000864118968 1137216056 /nfs/dbraw/zinc/21/60/56/1137216056.db2.gz RORISLCOBOPVPY-ZFDPJTLLSA-N -1 0 335.347 3.540 20 0 EHADRM O=C([O-])CCCCCCNC(=O)CCc1ccc(F)c2c1CCCC2 ZINC000864122813 1137216262 /nfs/dbraw/zinc/21/62/62/1137216262.db2.gz ZUVBOYGPBWHWHF-UHFFFAOYSA-N -1 0 349.446 3.788 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)c1 ZINC000864134696 1137216714 /nfs/dbraw/zinc/21/67/14/1137216714.db2.gz AYRZXZGWWFMZTA-MSOLQXFVSA-N -1 0 341.382 3.975 20 0 EHADRM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)/C=C\c2cc(C(=O)[O-])co2)C1 ZINC000864137868 1137216900 /nfs/dbraw/zinc/21/69/00/1137216900.db2.gz MZBASCJTBFQCIB-XVNHHZQISA-N -1 0 343.354 3.740 20 0 EHADRM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)/C=C\c2cc(C(=O)[O-])co2)C1 ZINC000864137867 1137216970 /nfs/dbraw/zinc/21/69/70/1137216970.db2.gz MZBASCJTBFQCIB-PZPBEODDSA-N -1 0 343.354 3.740 20 0 EHADRM Cc1cc(C(=O)N2CC=C(c3cc(C)cc(C)c3)CC2)oc1C(=O)[O-] ZINC000864138537 1137216984 /nfs/dbraw/zinc/21/69/84/1137216984.db2.gz MCHGCRATIFFGBE-UHFFFAOYSA-N -1 0 339.391 3.833 20 0 EHADRM Cc1cccc(C)c1[C@H]1CCCN1C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000864152658 1137217380 /nfs/dbraw/zinc/21/73/80/1137217380.db2.gz MHYOEBRBJDXJPV-PXUDHTSWSA-N -1 0 339.391 3.972 20 0 EHADRM O=C([O-])CN(C(=O)/C=C/c1ccsc1C(F)(F)F)C1CCCC1 ZINC000864158373 1137217653 /nfs/dbraw/zinc/21/76/53/1137217653.db2.gz JPDFDTGWDUQKSV-AATRIKPKSA-N -1 0 347.358 3.636 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)o1 ZINC000864180662 1137218217 /nfs/dbraw/zinc/21/82/17/1137218217.db2.gz XVLCIJJZAZSMOM-PXUDHTSWSA-N -1 0 343.354 3.884 20 0 EHADRM O=C([O-])C12CCC(CC1)N2C(=O)c1cccc(SC(F)(F)F)c1 ZINC000864187554 1137218493 /nfs/dbraw/zinc/21/84/93/1137218493.db2.gz AXECRIJAWLUQBC-UHFFFAOYSA-N -1 0 345.342 3.520 20 0 EHADRM Cc1ccc(C[C@@]2(C)CCCN2C(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000864195121 1137218637 /nfs/dbraw/zinc/21/86/37/1137218637.db2.gz YJUIEJDUDOQWFQ-WIXQSORDSA-N -1 0 343.467 3.810 20 0 EHADRM O=C([O-])C1CC(NC(=O)c2sc3cc(Cl)ccc3c2Cl)C1 ZINC000864202611 1137218865 /nfs/dbraw/zinc/21/88/65/1137218865.db2.gz GTRPQKFVBVUDGS-UHFFFAOYSA-N -1 0 344.219 3.801 20 0 EHADRM CCC(CC)(CNC(=O)CCc1ccccc1C(=O)[O-])C(F)(F)F ZINC000864201522 1137218946 /nfs/dbraw/zinc/21/89/46/1137218946.db2.gz ATXBUJCUVLHYLH-UHFFFAOYSA-N -1 0 345.361 3.802 20 0 EHADRM Cc1nc(C2CCN(C(=O)[C@H](C)C(C)(C)C)CC2)sc1C(=O)[O-] ZINC000864225637 1137219178 /nfs/dbraw/zinc/21/91/78/1137219178.db2.gz ZQUJNGTZPPJSHJ-JTQLQIEISA-N -1 0 338.473 3.538 20 0 EHADRM CC(C)(CC(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21)C(F)(F)F ZINC000864226801 1137219242 /nfs/dbraw/zinc/21/92/42/1137219242.db2.gz QYUCUVUKROSRQG-SNVBAGLBSA-N -1 0 329.318 3.570 20 0 EHADRM CCC[C@@H](C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21)c1ccccn1 ZINC000864227122 1137219361 /nfs/dbraw/zinc/21/93/61/1137219361.db2.gz CGKLJVUEQWYSSY-GDBMZVCRSA-N -1 0 338.407 3.570 20 0 EHADRM CCCC(C)(C)C(=O)[N-]S(=O)(=O)c1csc2ccccc21 ZINC000845565408 1137298019 /nfs/dbraw/zinc/29/80/19/1137298019.db2.gz IAODLRCCMNZFHF-UHFFFAOYSA-N -1 0 325.455 3.533 20 0 EHADRM CSc1ccc(Cl)cc1[N-]S(=O)(=O)c1cnc(C)s1 ZINC000339074447 1137346361 /nfs/dbraw/zinc/34/63/61/1137346361.db2.gz MVRHHKBSQGCFKJ-UHFFFAOYSA-N -1 0 334.875 3.628 20 0 EHADRM CCc1noc(C)c1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C ZINC000339074374 1137350247 /nfs/dbraw/zinc/35/02/47/1137350247.db2.gz KJMRKXGIWVTNHQ-UHFFFAOYSA-N -1 0 348.346 3.673 20 0 EHADRM O=C(N[C@H]1CC[C@H](Nc2ccccn2)CC1)c1cccc(Cl)c1[O-] ZINC000846653375 1137360676 /nfs/dbraw/zinc/36/06/76/1137360676.db2.gz DNQXIUYPXSJUQT-JOCQHMNTSA-N -1 0 345.830 3.594 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cccc(COc3ccccc3)c2)C1 ZINC000846706381 1137362838 /nfs/dbraw/zinc/36/28/38/1137362838.db2.gz OQLXUPJSVRSWFQ-JKSUJKDBSA-N -1 0 339.391 3.705 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2ccc(SC(F)F)cc2)CC=CCC1 ZINC000846705157 1137362862 /nfs/dbraw/zinc/36/28/62/1137362862.db2.gz YKMFEFYMVJDRHW-OAHLLOKOSA-N -1 0 327.352 3.751 20 0 EHADRM CC[C@H](C)c1nc(C)c(CC(=O)Nc2ccsc2C(=O)[O-])c(C)n1 ZINC000846757139 1137363533 /nfs/dbraw/zinc/36/35/33/1137363533.db2.gz TURXASCKFVBBIZ-VIFPVBQESA-N -1 0 347.440 3.548 20 0 EHADRM C[C@@H]1CC2(CCC2)CN1C(=O)c1cc(Br)cc(F)c1[O-] ZINC000867818037 1137387029 /nfs/dbraw/zinc/38/70/29/1137387029.db2.gz BCNUFJSELYRHQE-SECBINFHSA-N -1 0 342.208 3.699 20 0 EHADRM CCC(C)(C)[C@@H](C)NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC001147127149 1137400174 /nfs/dbraw/zinc/40/01/74/1137400174.db2.gz SREOARNHTINVGR-LLVKDONJSA-N -1 0 335.835 3.786 20 0 EHADRM C[C@H]1CN(C(=O)c2s[n-]c(=O)c2Cl)CC[C@H]1c1ccccc1 ZINC001148039484 1137417575 /nfs/dbraw/zinc/41/75/75/1137417575.db2.gz WRMKJBZERDPIIN-CMPLNLGQSA-N -1 0 336.844 3.768 20 0 EHADRM CCCCn1ncc(NC(=O)c2ccc3[n-]c(=S)oc3c2)c1C ZINC000122349046 1137428759 /nfs/dbraw/zinc/42/87/59/1137428759.db2.gz BZFRPXDYMHGQCE-UHFFFAOYSA-N -1 0 330.413 3.674 20 0 EHADRM CC(C)Cn1cnc(NC(=O)c2cc(Cl)cc(Cl)c2[O-])c1 ZINC001148804974 1137435391 /nfs/dbraw/zinc/43/53/91/1137435391.db2.gz ABBHFGLGCFVEDU-UHFFFAOYSA-N -1 0 328.199 3.804 20 0 EHADRM CCc1oc(C(=O)N[C@H](C)c2cc3ccccc3o2)cc1C(=O)[O-] ZINC000339087791 1137436469 /nfs/dbraw/zinc/43/64/69/1137436469.db2.gz JMKFFAWJAZOVCR-SNVBAGLBSA-N -1 0 327.336 3.777 20 0 EHADRM O=C([O-])c1ccc(Nc2cccnc2Br)c(Cl)c1 ZINC001248545320 1137488891 /nfs/dbraw/zinc/48/88/91/1137488891.db2.gz WEJJQBCGBNRNMD-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)NC(=O)c1n[n-]c2ccccc2c1=O ZINC001171556523 1137497569 /nfs/dbraw/zinc/49/75/69/1137497569.db2.gz FVDDXHZKRPXHJC-NRFANRHFSA-N -1 0 349.434 3.723 20 0 EHADRM CC/C(C)=C(/C)C(=O)Nc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000870770228 1137509586 /nfs/dbraw/zinc/50/95/86/1137509586.db2.gz REMWQTRUYDDIRN-KTKRTIGZSA-N -1 0 346.324 3.689 20 0 EHADRM CC(C)(C)O[C@H](C(=O)[N-]OCCCC(F)(F)F)c1ccccc1 ZINC000871214602 1137527683 /nfs/dbraw/zinc/52/76/83/1137527683.db2.gz OPWIHMKVGQNGOM-ZDUSSCGKSA-N -1 0 333.350 3.933 20 0 EHADRM O=C([N-]OCCCC(F)(F)F)C1(c2ccc(F)cc2F)CCC1 ZINC000871214326 1137527797 /nfs/dbraw/zinc/52/77/97/1137527797.db2.gz MQCPEZCMNDPTIY-UHFFFAOYSA-N -1 0 337.288 3.777 20 0 EHADRM O=C(NOCCCC(F)(F)F)c1c([O-])cc(Cl)cc1Cl ZINC000871214162 1137527846 /nfs/dbraw/zinc/52/78/46/1137527846.db2.gz IUAHKLLHLTYIJH-UHFFFAOYSA-N -1 0 332.105 3.703 20 0 EHADRM CCC[C@H](CC(C)C)C(=O)Nc1nccc(Br)c1[O-] ZINC001150032321 1137556487 /nfs/dbraw/zinc/55/64/87/1137556487.db2.gz PYTPRNWJPMVOPP-SNVBAGLBSA-N -1 0 329.238 3.951 20 0 EHADRM CC(C)(C)c1coc([N-]S(=O)(=O)c2ccc(F)c(C(F)F)c2)n1 ZINC000872005172 1137564363 /nfs/dbraw/zinc/56/43/63/1137564363.db2.gz BWGZOQVFMOVZKO-UHFFFAOYSA-N -1 0 348.346 3.850 20 0 EHADRM O=C([O-])c1csc(CN2CCO[C@H](c3ccccc3Cl)C2)c1 ZINC000872157943 1137574306 /nfs/dbraw/zinc/57/43/06/1137574306.db2.gz WIYUUAWSZNZMFF-HNNXBMFYSA-N -1 0 337.828 3.673 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C(F)F)c2)nn1C(C)C ZINC000872375699 1137579018 /nfs/dbraw/zinc/57/90/18/1137579018.db2.gz PNMCCCRMJGIRFW-UHFFFAOYSA-N -1 0 347.362 3.650 20 0 EHADRM Cc1occ(C(F)(F)F)c1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000872713944 1137583074 /nfs/dbraw/zinc/58/30/74/1137583074.db2.gz FQSKGHUDZZCKSD-UHFFFAOYSA-N -1 0 341.285 3.876 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000872736198 1137583508 /nfs/dbraw/zinc/58/35/08/1137583508.db2.gz NBXMQVVFNNCLFJ-TZMCWYRMSA-N -1 0 346.452 3.596 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)c1 ZINC000872740358 1137583568 /nfs/dbraw/zinc/58/35/68/1137583568.db2.gz WHFYUAHGZVFYNX-YESZJQIVSA-N -1 0 345.439 3.579 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)N1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000872767182 1137584133 /nfs/dbraw/zinc/58/41/33/1137584133.db2.gz NSJRWUOZZBXGNJ-HNAYVOBHSA-N -1 0 349.858 3.765 20 0 EHADRM CCc1cccc(C)c1NC(=O)C[C@]1(C(=O)[O-])CCc2ccccc21 ZINC000872832491 1137585219 /nfs/dbraw/zinc/58/52/19/1137585219.db2.gz CLCNYVACFFJXJF-OAQYLSRUSA-N -1 0 337.419 3.855 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000872851148 1137585552 /nfs/dbraw/zinc/58/55/52/1137585552.db2.gz QERKJETWNVOBBH-BONVTDFDSA-N -1 0 347.333 3.653 20 0 EHADRM COc1cc(C)cc(NC(=O)c2c(C)ccc(C)c2C(=O)[O-])c1C ZINC000872861377 1137585703 /nfs/dbraw/zinc/58/57/03/1137585703.db2.gz MZJKYDWDTRPAGV-UHFFFAOYSA-N -1 0 327.380 3.879 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])C(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000872867521 1137585779 /nfs/dbraw/zinc/58/57/79/1137585779.db2.gz SHOLDARQPGDWRI-SFHVURJKSA-N -1 0 328.368 3.703 20 0 EHADRM O=C([O-])C1=C(C(=O)NCc2cn(C(F)F)c3ccccc23)CCCC1 ZINC000872882938 1137585926 /nfs/dbraw/zinc/58/59/26/1137585926.db2.gz WRVMWMVVGFJKHY-UHFFFAOYSA-N -1 0 348.349 3.608 20 0 EHADRM C[C@H](c1cccs1)N(C)C(=O)C[C@@]1(C(=O)[O-])CCc2ccccc21 ZINC000872899506 1137586310 /nfs/dbraw/zinc/58/63/10/1137586310.db2.gz IAOHGSLMVDLZPB-YJYMSZOUSA-N -1 0 343.448 3.626 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)C(C)(C)CCC(=O)[O-])c1nc2ccccc2[nH]1 ZINC000872906458 1137586356 /nfs/dbraw/zinc/58/63/56/1137586356.db2.gz BQFZQNOLYSPGSS-WBMJQRKESA-N -1 0 345.443 3.657 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[C@@](C)(CC)CC(=O)[O-])c1nc2ccccc2[nH]1 ZINC000872906364 1137586370 /nfs/dbraw/zinc/58/63/70/1137586370.db2.gz AEPSJTCLAFNVTF-UVIMBBFXSA-N -1 0 345.443 3.657 20 0 EHADRM CC(C)n1cc2cc(NC(=O)CC3(C(=O)[O-])CCCC3)ccc2n1 ZINC000872935333 1137586683 /nfs/dbraw/zinc/58/66/83/1137586683.db2.gz RTVFUIYRMWBPGW-UHFFFAOYSA-N -1 0 329.400 3.591 20 0 EHADRM Cc1ccc([C@H]2CCCCCN2C(=O)C(C)(C)SCC(=O)[O-])o1 ZINC000872937067 1137586713 /nfs/dbraw/zinc/58/67/13/1137586713.db2.gz CQLGKTDIEGOFQI-CYBMUJFWSA-N -1 0 339.457 3.628 20 0 EHADRM O=C(Nc1cccc(OCCF)c1)c1ccc2[n-]c(=S)oc2c1 ZINC000124546393 1137600715 /nfs/dbraw/zinc/60/07/15/1137600715.db2.gz WXUSTVCBIHNUAB-UHFFFAOYSA-N -1 0 332.356 3.717 20 0 EHADRM CC(C)[C@H](c1ccccc1)N(C)C(=O)NCc1ccccc1C(=O)[O-] ZINC000874410503 1137613714 /nfs/dbraw/zinc/61/37/14/1137613714.db2.gz WKXGARBGYKKJSS-GOSISDBHSA-N -1 0 340.423 3.924 20 0 EHADRM Cc1ccc(CN(C(=O)NCc2ccccc2C(=O)[O-])C(C)C)s1 ZINC000874410341 1137613716 /nfs/dbraw/zinc/61/37/16/1137613716.db2.gz QSZICJVRVZTXOI-UHFFFAOYSA-N -1 0 346.452 3.875 20 0 EHADRM Cc1ccc(NC(=O)c2s[n-]c(=O)c2Cl)cc1N1CCCC1 ZINC000874943698 1137626781 /nfs/dbraw/zinc/62/67/81/1137626781.db2.gz KDFCNEWRAUZFBG-UHFFFAOYSA-N -1 0 337.832 3.663 20 0 EHADRM Oc1ccccc1-c1nnc(CN2CCC[C@@H]2c2cccc(F)c2)o1 ZINC000877985153 1137698335 /nfs/dbraw/zinc/69/83/35/1137698335.db2.gz UITATPSTBIYPFK-MRXNPFEDSA-N -1 0 339.370 3.918 20 0 EHADRM C[N@H+](CC[C@H]1CCCC1(F)F)Cc1nc(=O)c2sccc2[n-]1 ZINC000878443882 1137716240 /nfs/dbraw/zinc/71/62/40/1137716240.db2.gz UOCDFWARXKXIKP-SNVBAGLBSA-N -1 0 327.400 3.654 20 0 EHADRM Cc1nc(C(C)C)ncc1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000879172349 1137739985 /nfs/dbraw/zinc/73/99/85/1137739985.db2.gz ABZSIIXLYMOGMF-UHFFFAOYSA-N -1 0 328.397 3.591 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000130158153 1137834519 /nfs/dbraw/zinc/83/45/19/1137834519.db2.gz PNHBRUMTLHZRBV-UHFFFAOYSA-N -1 0 340.162 3.723 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1cnn(-c2ccccc2)n1 ZINC000130157528 1137834572 /nfs/dbraw/zinc/83/45/72/1137834572.db2.gz FTMGHGXEIBKZBF-UHFFFAOYSA-N -1 0 349.177 3.532 20 0 EHADRM CC[C@H](CC(=O)[N-]S(=O)(=O)c1cc(C)cc(F)c1)c1ccccc1 ZINC000131005896 1137845087 /nfs/dbraw/zinc/84/50/87/1137845087.db2.gz CMZHRPOPKWYGIQ-CQSZACIVSA-N -1 0 349.427 3.523 20 0 EHADRM CC[C@H](NC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1)c1nccs1 ZINC000348280745 1137893060 /nfs/dbraw/zinc/89/30/60/1137893060.db2.gz IJWBNYYXXFGMSL-GUYCJALGSA-N -1 0 338.473 3.772 20 0 EHADRM CCc1ccc([C@H]2CCCN2C(=O)N=c2[n-]nc(C(C)(C)C)s2)o1 ZINC000331683543 1137917147 /nfs/dbraw/zinc/91/71/47/1137917147.db2.gz WQVSHAJDLXYLOT-GFCCVEGCSA-N -1 0 348.472 3.782 20 0 EHADRM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C ZINC000332112837 1137932221 /nfs/dbraw/zinc/93/22/21/1137932221.db2.gz AGTRDQQLZJMPST-LLVKDONJSA-N -1 0 339.848 3.543 20 0 EHADRM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C ZINC000332204686 1137935555 /nfs/dbraw/zinc/93/55/55/1137935555.db2.gz UADXXJZCWSSNPS-NSHDSACASA-N -1 0 339.848 3.543 20 0 EHADRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N(C)[C@@H]3CCCC[C@@H]3C)n2)c1 ZINC000332645357 1137949987 /nfs/dbraw/zinc/94/99/87/1137949987.db2.gz IQPCQEVAVSRBAQ-DZGCQCFKSA-N -1 0 345.418 3.676 20 0 EHADRM C[C@H](CC(=O)N1CCCC[C@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000136531998 1138039672 /nfs/dbraw/zinc/03/96/72/1138039672.db2.gz PYPPIVAHMUQLRA-RISCZKNCSA-N -1 0 343.345 3.665 20 0 EHADRM C[C@H](c1cccc(O)c1)N(C)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000137041255 1138045266 /nfs/dbraw/zinc/04/52/66/1138045266.db2.gz BTPOEBVFWBLLQL-SNVBAGLBSA-N -1 0 328.393 3.655 20 0 EHADRM CCSCc1cccnc1[N-]S(=O)(=O)c1c(C)cccc1F ZINC000886442047 1138078437 /nfs/dbraw/zinc/07/84/37/1138078437.db2.gz NNBPMTYFXPOEPA-UHFFFAOYSA-N -1 0 340.445 3.583 20 0 EHADRM CCSCc1cccnc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000886444691 1138078517 /nfs/dbraw/zinc/07/85/17/1138078517.db2.gz GRUFKTRTYOVBRH-UHFFFAOYSA-N -1 0 340.445 3.583 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000084403776 1138180132 /nfs/dbraw/zinc/18/01/32/1138180132.db2.gz BEZVERVRRNPSMB-WWGRRREGSA-N -1 0 343.402 3.510 20 0 EHADRM Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)s1 ZINC000337150513 1138480049 /nfs/dbraw/zinc/48/00/49/1138480049.db2.gz IWXUBSHZXXVPOC-UHFFFAOYSA-N -1 0 326.418 3.577 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccc(Cl)c(CN(C)C)c1 ZINC000337244415 1138506909 /nfs/dbraw/zinc/50/69/09/1138506909.db2.gz IMCDXUSFEHJVHV-UHFFFAOYSA-N -1 0 344.889 3.572 20 0 EHADRM Cc1ccc(C)c(S([O-])=CC(=O)N(C)[C@H](C)c2ccc(F)cc2)c1 ZINC000264576735 1138564296 /nfs/dbraw/zinc/56/42/96/1138564296.db2.gz UVVCYWFEPNQHFA-OYLFLEFRSA-N -1 0 347.455 3.770 20 0 EHADRM CN(C(=O)c1ccc(/C=C\C(=O)[O-])o1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000826577910 1138596101 /nfs/dbraw/zinc/59/61/01/1138596101.db2.gz NVRXHKVKMYKKTC-ISHASMORSA-N -1 0 345.317 3.571 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1ccncc1C(F)(F)F ZINC000337642952 1138630656 /nfs/dbraw/zinc/63/06/56/1138630656.db2.gz ZNZMXBSDJQZXLW-UHFFFAOYSA-N -1 0 334.656 3.851 20 0 EHADRM O=C(NCc1ncccc1O)Nc1ccc(OCc2ccccc2)cc1 ZINC000348458646 1138632235 /nfs/dbraw/zinc/63/22/35/1138632235.db2.gz DHYCMVXOMVMAIU-UHFFFAOYSA-N -1 0 349.390 3.688 20 0 EHADRM CCc1nc([C@H](C)NC(=O)CC2(CC(=O)[O-])CCCCC2)cs1 ZINC000264784538 1138638327 /nfs/dbraw/zinc/63/83/27/1138638327.db2.gz VNOOTRONXZLART-LBPRGKRZSA-N -1 0 338.473 3.698 20 0 EHADRM CC[C@@H](N=c1nc([C@@H](C)OC)[n-]s1)c1nc(-c2ccccc2)c[nH]1 ZINC000337882651 1138690264 /nfs/dbraw/zinc/69/02/64/1138690264.db2.gz VSNNKLSWJQGFQZ-DGCLKSJQSA-N -1 0 343.456 3.621 20 0 EHADRM CO[C@H](C)c1nc(=N[C@H]2CCSc3ccc(Cl)cc32)s[n-]1 ZINC000337909894 1138696331 /nfs/dbraw/zinc/69/63/31/1138696331.db2.gz HDNLHGVTYGWTRJ-KCJUWKMLSA-N -1 0 341.889 3.970 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(Br)c1Cl ZINC000338405673 1138895116 /nfs/dbraw/zinc/89/51/16/1138895116.db2.gz JEGYDLXUXOBIJJ-UHFFFAOYSA-N -1 0 348.624 3.932 20 0 EHADRM O=c1nc(-c2cc(F)c([O-])c(F)c2)[nH]c2sc3c(c21)CCCC3 ZINC000175927173 1139529069 /nfs/dbraw/zinc/52/90/69/1139529069.db2.gz MQWKXAPOCKFMTO-UHFFFAOYSA-N -1 0 334.347 3.514 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCS[C@@H]2CCCC[C@H]21 ZINC000176230294 1139546614 /nfs/dbraw/zinc/54/66/14/1139546614.db2.gz WGSUKYGVIZGEMX-TZMCWYRMSA-N -1 0 334.466 3.617 20 0 EHADRM CN(Cc1ccccc1N1CCCC1)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000176978379 1139591183 /nfs/dbraw/zinc/59/11/83/1139591183.db2.gz QWUSIXHAECWOJO-UHFFFAOYSA-N -1 0 346.377 3.543 20 0 EHADRM C[C@@H](OCCCNC(=O)c1cc(F)c([O-])c(F)c1)c1ccccc1 ZINC000177020168 1139592904 /nfs/dbraw/zinc/59/29/04/1139592904.db2.gz KMMAWIONCPYNRG-GFCCVEGCSA-N -1 0 335.350 3.568 20 0 EHADRM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)o1 ZINC000180027751 1139803170 /nfs/dbraw/zinc/80/31/70/1139803170.db2.gz CSLPXJMTTGZOJG-DRPJVOAASA-N -1 0 333.428 3.779 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)c2cc(F)c(F)c([O-])c2F)s1 ZINC000180044370 1139804665 /nfs/dbraw/zinc/80/46/65/1139804665.db2.gz VVKIJXYVAUKOOF-ZETCQYMHSA-N -1 0 329.343 3.540 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)C[C@H]2CCCC[C@H]2C)c1Cl ZINC000777356862 1139820565 /nfs/dbraw/zinc/82/05/65/1139820565.db2.gz YZVGLIUQKWOIRI-DGCLKSJQSA-N -1 0 343.876 3.670 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)c1ccc(-c2cnco2)cc1)C(=O)[O-] ZINC000777372701 1139916790 /nfs/dbraw/zinc/91/67/90/1139916790.db2.gz WSLCJVOZENWUOY-LJQANCHMSA-N -1 0 344.411 3.885 20 0 EHADRM O=C(C[C@@H]1CCCN1C(=O)c1c([O-])cccc1F)c1ccc(F)cc1 ZINC000185317586 1140144564 /nfs/dbraw/zinc/14/45/64/1140144564.db2.gz NYTHNDPLAASAMS-AWEZNQCLSA-N -1 0 345.345 3.548 20 0 EHADRM COC(=O)c1c[nH]c(SCc2csc(CCC(C)C)n2)n1 ZINC000187586860 1140262732 /nfs/dbraw/zinc/26/27/32/1140262732.db2.gz JIXIAEXOPLBGHH-UHFFFAOYSA-N -1 0 325.459 3.534 20 0 EHADRM O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)c1ccc([O-])c(Cl)c1 ZINC000190225272 1140393592 /nfs/dbraw/zinc/39/35/92/1140393592.db2.gz QTJMIWPLLUAPKS-YOEHRIQHSA-N -1 0 331.799 3.553 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@H](C)CCCc2ccccc2)cc1C(=O)[O-] ZINC000190887257 1140423712 /nfs/dbraw/zinc/42/37/12/1140423712.db2.gz QXZCAQIIWBELIN-CQSZACIVSA-N -1 0 343.423 3.904 20 0 EHADRM CC[C@@H](C)n1ncc(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1C1CC1 ZINC000191035154 1140431622 /nfs/dbraw/zinc/43/16/22/1140431622.db2.gz QXKMZKSVIYFNRS-GFCCVEGCSA-N -1 0 341.411 3.990 20 0 EHADRM CCC(CC)n1ncc(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1C ZINC000191036299 1140432210 /nfs/dbraw/zinc/43/22/10/1140432210.db2.gz GACCAAOQJVIJAI-UHFFFAOYSA-N -1 0 329.400 3.812 20 0 EHADRM Cc1nc(C(=O)NCCCCCCCC(=O)[O-])c(-c2ccccc2)o1 ZINC000191182291 1140443151 /nfs/dbraw/zinc/44/31/51/1140443151.db2.gz BCTVSDGFSSUSML-UHFFFAOYSA-N -1 0 344.411 3.805 20 0 EHADRM C[C@@H](C(=O)Nc1cc(Cl)c([O-])c(Cl)c1)N(C)CC(F)(F)F ZINC000192238488 1140513015 /nfs/dbraw/zinc/51/30/15/1140513015.db2.gz NDOICWJXTOOHRP-LURJTMIESA-N -1 0 345.148 3.520 20 0 EHADRM CCC[C@H](CCc1ccccc1)NC(=O)C1CCC(C(=O)[O-])CC1 ZINC000194422511 1140609019 /nfs/dbraw/zinc/60/90/19/1140609019.db2.gz FZKVCRJTJYSJSR-DAWZGUTISA-N -1 0 331.456 3.795 20 0 EHADRM C[C@@H]1SCCN(C(=O)C2CCC(C(=O)[O-])CC2)[C@H]1c1ccccc1 ZINC000194432481 1140609695 /nfs/dbraw/zinc/60/96/95/1140609695.db2.gz DKHKOPHSSLNUPD-YJNKEBTESA-N -1 0 347.480 3.583 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCCN(c2ccccc2)CC1 ZINC000194470977 1140611117 /nfs/dbraw/zinc/61/11/17/1140611117.db2.gz PSKRLWNBMQXYLL-UHFFFAOYSA-N -1 0 348.805 3.537 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nnc(C3CCCCC3)o2)cc1C ZINC000194786768 1140622453 /nfs/dbraw/zinc/62/24/53/1140622453.db2.gz VZHXNXAHSZKUQN-UHFFFAOYSA-N -1 0 335.429 3.535 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC[C@@H]1[C@H]1CCCCC1=O ZINC000194819949 1140623722 /nfs/dbraw/zinc/62/37/22/1140623722.db2.gz MYHZTTJMUIBJEL-BXUZGUMPSA-N -1 0 339.794 3.549 20 0 EHADRM O=S(=O)(NCCCc1cccc(Cl)c1)c1ccc(F)cc1F ZINC000096743608 1140786605 /nfs/dbraw/zinc/78/66/05/1140786605.db2.gz HECBKXZHOIEDDM-UHFFFAOYSA-N -1 0 345.798 3.529 20 0 EHADRM COC[C@H]1CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])C1 ZINC000269222340 1141081115 /nfs/dbraw/zinc/08/11/15/1141081115.db2.gz DIXNUHIWSORPKS-ZDUSSCGKSA-N -1 0 345.826 3.821 20 0 EHADRM COc1ccc(OC(C)C)c(NC(=O)c2s[n-]c(=O)c2Cl)c1 ZINC000283182850 1141568344 /nfs/dbraw/zinc/56/83/44/1141568344.db2.gz VJPRNBXFHOUNEU-UHFFFAOYSA-N -1 0 342.804 3.550 20 0 EHADRM CCC(=O)c1ccc(C(=O)N=c2nc(-c3ccsc3)[n-]s2)cc1 ZINC000348779668 1141578329 /nfs/dbraw/zinc/57/83/29/1141578329.db2.gz CXIVLKLWADRELA-UHFFFAOYSA-N -1 0 343.433 3.534 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@@H]2CC[C@@H](C)[C@@H](C)C2)n1 ZINC001296171855 1141590100 /nfs/dbraw/zinc/59/01/00/1141590100.db2.gz URMKELAYHNTMAV-TYNCELHUSA-N -1 0 345.418 3.580 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCC[C@H](c2ccccc2)C1 ZINC000348866931 1141599616 /nfs/dbraw/zinc/59/96/16/1141599616.db2.gz MFMMPQYYJMOULX-LBPRGKRZSA-N -1 0 335.325 3.829 20 0 EHADRM C[C@@H](NC(=O)CC1(CC(=O)[O-])CCCCC1)c1ccc2n[nH]cc2c1 ZINC000349005021 1141620488 /nfs/dbraw/zinc/62/04/88/1141620488.db2.gz MEVARDQINNRMHV-CYBMUJFWSA-N -1 0 343.427 3.555 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000038036082 213194545 /nfs/dbraw/zinc/19/45/45/213194545.db2.gz WWVFNVRTJNIFFP-ZDUSSCGKSA-N -1 0 330.211 3.757 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(F)ccc2Br)s1 ZINC000035426572 213027383 /nfs/dbraw/zinc/02/73/83/213027383.db2.gz WPPFCLHXXIUZPW-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM Cc1c(NC(=O)c2ccc(Br)s2)cccc1C(=O)[O-] ZINC000040217915 213282754 /nfs/dbraw/zinc/28/27/54/213282754.db2.gz JQHFEZVZADBFBE-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM COc1ccc(C)nc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000356976061 523862980 /nfs/dbraw/zinc/86/29/80/523862980.db2.gz PLMHDMAKHSVHJY-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM O=C([O-])C[C@H]1CCC[N@H+](CCOc2cc(Cl)ccc2Cl)CC1 ZINC000299742425 563913264 /nfs/dbraw/zinc/91/32/64/563913264.db2.gz HWHTZENEGHYSEV-LBPRGKRZSA-N -1 0 346.254 3.949 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000299744534 564150600 /nfs/dbraw/zinc/15/06/00/564150600.db2.gz PBUPNRRAFHBCFO-JTQLQIEISA-N -1 0 347.308 3.562 20 0 EHADRM C[C@@H](NC(=O)CCCN(C)C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000736635157 599724653 /nfs/dbraw/zinc/72/46/53/599724653.db2.gz DHPPFFXMWFVEFF-SECBINFHSA-N -1 0 333.215 3.561 20 0 EHADRM O=C([O-])c1ccc(COc2ccccc2Br)cc1F ZINC000236480861 601629237 /nfs/dbraw/zinc/62/92/37/601629237.db2.gz QLDOGPOGHYPCLB-UHFFFAOYSA-N -1 0 325.133 3.865 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1NC(=O)CSCC(=O)[O-] ZINC000740091127 597092843 /nfs/dbraw/zinc/09/28/43/597092843.db2.gz KSWPGVSVMAQBTL-UHFFFAOYSA-N -1 0 331.393 3.544 20 0 EHADRM Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)N[C@H](C)C(=O)[O-] ZINC000818849358 597177211 /nfs/dbraw/zinc/17/72/11/597177211.db2.gz ZBMPODPIKXVIEC-ZIAGYGMSSA-N -1 0 342.395 3.730 20 0 EHADRM CC[C@H](c1ccncc1)N(CC)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737782334 597188410 /nfs/dbraw/zinc/18/84/10/597188410.db2.gz FGULAVAWJAYEGV-QGZVFWFLSA-N -1 0 341.411 3.714 20 0 EHADRM CC(C)(C)c1ncc(/C=C/C(=O)Nc2ccccc2CC(=O)[O-])s1 ZINC000236639164 597272222 /nfs/dbraw/zinc/27/22/22/597272222.db2.gz VBLBGQKFHZOHQR-CMDGGOBGSA-N -1 0 344.436 3.720 20 0 EHADRM O=C([O-])c1ccc(CSc2nnc(-c3ccccc3F)o2)cc1 ZINC000005899002 597301560 /nfs/dbraw/zinc/30/15/60/597301560.db2.gz OXKGSRDZXPIKEJ-UHFFFAOYSA-N -1 0 330.340 3.866 20 0 EHADRM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)NCCCC(=O)[O-] ZINC000263464113 597310629 /nfs/dbraw/zinc/31/06/29/597310629.db2.gz JOYCXBKRYMNSBO-SECBINFHSA-N -1 0 333.215 3.561 20 0 EHADRM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000324537580 597316321 /nfs/dbraw/zinc/31/63/21/597316321.db2.gz SKGOXSIESSXKNQ-UHFFFAOYSA-N -1 0 347.798 3.763 20 0 EHADRM Cc1ccc(N(C)C(C)C)c(C(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000818898892 597317284 /nfs/dbraw/zinc/31/72/84/597317284.db2.gz PRMINWMUNWVBKY-UHFFFAOYSA-N -1 0 340.423 3.719 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818090042 597326118 /nfs/dbraw/zinc/32/61/18/597326118.db2.gz KVDSZCJWRKXLJB-YOEHRIQHSA-N -1 0 338.407 3.724 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000819609523 597335815 /nfs/dbraw/zinc/33/58/15/597335815.db2.gz KKUZRGAYLWAQNQ-IIAWOOMASA-N -1 0 330.428 3.794 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2ccccc2CC(=O)[O-])cc1C ZINC000818879045 597337039 /nfs/dbraw/zinc/33/70/39/597337039.db2.gz JPPYGXHBQJSOPT-AWEZNQCLSA-N -1 0 326.396 3.813 20 0 EHADRM O=C([O-])c1ccc(C[S@@](=O)[C@@H]2CCc3c2cccc3Cl)cc1 ZINC000821545598 597373757 /nfs/dbraw/zinc/37/37/57/597373757.db2.gz HMWFQJIOXJKINU-OPAMFIHVSA-N -1 0 334.824 3.974 20 0 EHADRM Cc1ccc(C(=O)Nc2cccc(CC(=O)[O-])c2)c(Br)c1 ZINC000160982794 597390212 /nfs/dbraw/zinc/39/02/12/597390212.db2.gz IGZJNZBDZQCAHB-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM CC(C)c1cc(Br)ccc1NC(=O)N(C)CCC(=O)[O-] ZINC000263060534 597456761 /nfs/dbraw/zinc/45/67/61/597456761.db2.gz OKWFBVKAXJCNTC-UHFFFAOYSA-N -1 0 343.221 3.511 20 0 EHADRM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NCCCCC(=O)[O-] ZINC000666557518 598167815 /nfs/dbraw/zinc/16/78/15/598167815.db2.gz MMRPKJBSPIBXBO-SNVBAGLBSA-N -1 0 347.242 3.951 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)NCCCCC(=O)[O-])cc2)nc1 ZINC000821098445 598169274 /nfs/dbraw/zinc/16/92/74/598169274.db2.gz IFJPVYBQNHTZQY-UHFFFAOYSA-N -1 0 343.383 3.559 20 0 EHADRM CN(Cc1nc2ccccc2s1)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737497124 599709521 /nfs/dbraw/zinc/70/95/21/599709521.db2.gz XQFXQHSJZLECSF-MRXNPFEDSA-N -1 0 330.384 3.693 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)NC2C3CC4CC(C3)CC2C4)ccc1F ZINC000740006144 599713904 /nfs/dbraw/zinc/71/39/04/599713904.db2.gz RHCBDXSFYBCCRE-UHFFFAOYSA-N -1 0 347.390 3.862 20 0 EHADRM O=C([O-])c1cnc(NC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)s1 ZINC000740258565 599714888 /nfs/dbraw/zinc/71/48/88/599714888.db2.gz FHGKJQXSBCLMLF-KGLIPLIRSA-N -1 0 338.388 3.737 20 0 EHADRM O=C([O-])NCCCC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000739966069 599724002 /nfs/dbraw/zinc/72/40/02/599724002.db2.gz ZCMPCWOEYLQHDH-QGZVFWFLSA-N -1 0 346.814 3.593 20 0 EHADRM Cc1cc(Sc2ccccc2)ccc1NC(=O)CCNC(=O)[O-] ZINC000738483045 599726682 /nfs/dbraw/zinc/72/66/82/599726682.db2.gz VIKXBUIHJREISM-UHFFFAOYSA-N -1 0 330.409 3.742 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2ccc(-n3cccc3)c(F)c2)c1 ZINC000238160005 599728211 /nfs/dbraw/zinc/72/82/11/599728211.db2.gz NQGJFPALMCBPGL-UHFFFAOYSA-N -1 0 342.301 3.706 20 0 EHADRM C[C@H](CN(C(=O)[C@H]1C[C@@H]1c1cccc2ccccc21)C1CC1)C(=O)[O-] ZINC000237616070 599730446 /nfs/dbraw/zinc/73/04/46/599730446.db2.gz IQYDKSYPTLCOPS-ZNOIYHFQSA-N -1 0 337.419 3.655 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)/C=C\c1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000736870121 599732224 /nfs/dbraw/zinc/73/22/24/599732224.db2.gz JIJNWZTVQHZUBZ-KZUGXZLUSA-N -1 0 345.439 3.637 20 0 EHADRM O=C([O-])C1CCC(NC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)CC1 ZINC000238074716 599733213 /nfs/dbraw/zinc/73/32/13/599733213.db2.gz XBSRDGHQMHXXCG-FUICEZJUSA-N -1 0 337.419 3.703 20 0 EHADRM CN(CCC1CCCCC1)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000737415049 599736812 /nfs/dbraw/zinc/73/68/12/599736812.db2.gz BYVJNPUSSVYTSZ-UHFFFAOYSA-N -1 0 332.444 3.539 20 0 EHADRM CC[C@@H](NC(=O)NCc1ccc(OC)c(C(=O)[O-])c1)C1CCCCC1 ZINC000736914568 599737260 /nfs/dbraw/zinc/73/72/60/599737260.db2.gz VUHKDFNJOPDKDZ-MRXNPFEDSA-N -1 0 348.443 3.552 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000236946091 599744090 /nfs/dbraw/zinc/74/40/90/599744090.db2.gz SGYVMQUYKUXJSF-KDOFPFPSSA-N -1 0 325.408 3.685 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)cc1 ZINC000238170121 599744290 /nfs/dbraw/zinc/74/42/90/599744290.db2.gz FVFOGZUJHLVMAQ-UHFFFAOYSA-N -1 0 328.755 3.701 20 0 EHADRM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCCN(C)C(=O)[O-] ZINC000736929532 599746083 /nfs/dbraw/zinc/74/60/83/599746083.db2.gz QIYWVQAQAFBKGF-IRXDYDNUSA-N -1 0 332.444 3.561 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)s1 ZINC000238027024 599753648 /nfs/dbraw/zinc/75/36/48/599753648.db2.gz SLKOLHIPYYDUKX-HNNXBMFYSA-N -1 0 333.384 3.857 20 0 EHADRM CC(C)Sc1ccc([C@H](C)NC(=O)CCSCC(=O)[O-])cc1 ZINC000736500426 599758828 /nfs/dbraw/zinc/75/88/28/599758828.db2.gz YPHDGBHZJJNMNW-LBPRGKRZSA-N -1 0 341.498 3.572 20 0 EHADRM C[C@@H](Sc1cccc(Cl)c1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736712217 599763297 /nfs/dbraw/zinc/76/32/97/599763297.db2.gz LBFAIWGWPISWRP-LLVKDONJSA-N -1 0 349.839 3.835 20 0 EHADRM CCC[C@](C)(NC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000362513312 599763597 /nfs/dbraw/zinc/76/35/97/599763597.db2.gz UXESPFRHYFZAAS-MMPTUQATSA-N -1 0 344.238 3.857 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)NCCCCCc2ccccc2)cc1 ZINC000739415209 599781234 /nfs/dbraw/zinc/78/12/34/599781234.db2.gz IEILITAWZBCCJR-UHFFFAOYSA-N -1 0 340.423 3.597 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2c[nH]nc2C2CCCCC2)cc1 ZINC000740135202 599785758 /nfs/dbraw/zinc/78/57/58/599785758.db2.gz ZJZDFBHQZZWTBU-UHFFFAOYSA-N -1 0 328.368 3.513 20 0 EHADRM O=C([O-])c1ccoc1CN1CCc2c(Cl)c(Cl)ccc2C1 ZINC000740251529 599787217 /nfs/dbraw/zinc/78/72/17/599787217.db2.gz GVPUSNODIVJZEX-UHFFFAOYSA-N -1 0 326.179 3.843 20 0 EHADRM C[C@@H](CNC(=O)NCCCCC(=O)[O-])c1c(Cl)cccc1Cl ZINC000666524161 599788227 /nfs/dbraw/zinc/78/82/27/599788227.db2.gz KOVFFKZJOREVEM-JTQLQIEISA-N -1 0 347.242 3.651 20 0 EHADRM O=C([O-])c1ccccc1C(=O)OCc1ncc(-c2ccc(F)cc2)o1 ZINC000740240571 599788423 /nfs/dbraw/zinc/78/84/23/599788423.db2.gz VFMSMRVHDWDSMO-UHFFFAOYSA-N -1 0 341.294 3.536 20 0 EHADRM COc1ccc([C@@H](C)C(=O)Oc2cc(Cl)ccc2C(=O)[O-])cc1 ZINC000737946009 599798060 /nfs/dbraw/zinc/79/80/60/599798060.db2.gz FYJWJZCFRHLHLY-SNVBAGLBSA-N -1 0 334.755 3.756 20 0 EHADRM C[C@H](NC(=O)c1ccc(NC(=O)[O-])cc1)C(C)(C)c1ccccc1 ZINC000736655070 599798498 /nfs/dbraw/zinc/79/84/98/599798498.db2.gz ACILMGWNJMCKMV-ZDUSSCGKSA-N -1 0 326.396 3.873 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C[C@@H]2C=CCC2)c(OCC(F)(F)F)c1 ZINC000621553260 599799161 /nfs/dbraw/zinc/79/91/61/599799161.db2.gz SQNJCJRAUYGFQV-SNVBAGLBSA-N -1 0 343.301 3.621 20 0 EHADRM COc1ccc([C@@H](C)C(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)cc1 ZINC000737948532 599800103 /nfs/dbraw/zinc/80/01/03/599800103.db2.gz IXOQCJQATLVBRK-OLZOCXBDSA-N -1 0 328.364 3.801 20 0 EHADRM O=C([O-])c1sccc1NC(=O)COc1ccc2ccccc2c1 ZINC000739329204 599803060 /nfs/dbraw/zinc/80/30/60/599803060.db2.gz QGBSTAIQBCLQKB-UHFFFAOYSA-N -1 0 327.361 3.617 20 0 EHADRM C[C@@H](S[C@@H]1CCCc2ccccc21)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000736709025 599804555 /nfs/dbraw/zinc/80/45/55/599804555.db2.gz MSAGYXSWDKTATB-CXAGYDPISA-N -1 0 347.480 3.509 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)C[C@H]1CCCc2ccccc21 ZINC000737868598 599808115 /nfs/dbraw/zinc/80/81/15/599808115.db2.gz UXZSXVBGNLOLHC-CQSZACIVSA-N -1 0 340.375 3.809 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)c1ccc(C(F)F)cc1 ZINC000739723159 599809357 /nfs/dbraw/zinc/80/93/57/599809357.db2.gz HCEZYXYSULPNEL-UHFFFAOYSA-N -1 0 333.334 3.741 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1ccc(C(F)F)cc1 ZINC000737877757 599809883 /nfs/dbraw/zinc/80/98/83/599809883.db2.gz IFDFDSHMRDPFIU-OQFOIZHKSA-N -1 0 348.301 3.950 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)c2csc(C(C)(C)C)n2)cc1 ZINC000737335144 599810998 /nfs/dbraw/zinc/81/09/98/599810998.db2.gz CQBPKYIMXICWLW-UHFFFAOYSA-N -1 0 333.413 3.807 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)C[C@H]2CCCc3ccccc32)c1 ZINC000238030226 599814165 /nfs/dbraw/zinc/81/41/65/599814165.db2.gz KQWYRSQJNSLVTR-OAHLLOKOSA-N -1 0 339.391 3.599 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)NCc2ccc3ccccc3c2)c1 ZINC000739449726 599817709 /nfs/dbraw/zinc/81/77/09/599817709.db2.gz SABAIGCRIGDRIR-UHFFFAOYSA-N -1 0 338.338 3.999 20 0 EHADRM COc1ccc(NC(=O)C[C@@H]2CCCc3ccccc32)c(C(=O)[O-])c1 ZINC000738028447 599820670 /nfs/dbraw/zinc/82/06/70/599820670.db2.gz RJROTHKTXFHSJS-AWEZNQCLSA-N -1 0 339.391 3.842 20 0 EHADRM O=C([O-])N1CCC[C@H](NC(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000739387153 599827285 /nfs/dbraw/zinc/82/72/85/599827285.db2.gz HTNWEWJYWZPIRA-KRWDZBQOSA-N -1 0 330.428 3.607 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N[C@@H](c2ccccc2)C2CC2)cc1 ZINC000739761849 599827769 /nfs/dbraw/zinc/82/77/69/599827769.db2.gz WXBUPXBYZYYSLA-IBGZPJMESA-N -1 0 338.407 3.977 20 0 EHADRM CC(=O)c1c(C)cc(C)c(COC(=O)c2ccccc2C(=O)[O-])c1C ZINC000736175839 599828291 /nfs/dbraw/zinc/82/82/91/599828291.db2.gz JJNZJLBLZUZPBE-UHFFFAOYSA-N -1 0 340.375 3.870 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N(C)c1ccccc1C(=O)[O-] ZINC000736760321 599838372 /nfs/dbraw/zinc/83/83/72/599838372.db2.gz CRCMIVQGIQQVRN-RKVPGOIHSA-N -1 0 347.455 3.825 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)Cc1ccccc1C(F)(F)F ZINC000739346499 599842080 /nfs/dbraw/zinc/84/20/80/599842080.db2.gz YHFTWLBHHNGNHM-UHFFFAOYSA-N -1 0 341.260 3.724 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)Cc2ccc(C)s2)cc1 ZINC000237358364 599844740 /nfs/dbraw/zinc/84/47/40/599844740.db2.gz OIQNWLBIQHXCPR-HNNXBMFYSA-N -1 0 349.477 3.653 20 0 EHADRM COc1cc2ccccc2cc1C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000737908687 599847834 /nfs/dbraw/zinc/84/78/34/599847834.db2.gz YKNACPPYZCYCRA-UHFFFAOYSA-N -1 0 339.322 3.938 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)/C=C\c1nc2ccccc2s1 ZINC000739217309 599847942 /nfs/dbraw/zinc/84/79/42/599847942.db2.gz XLXSCXJAVRCARI-HJWRWDBZSA-N -1 0 342.351 3.786 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)cn1 ZINC000190639236 599852354 /nfs/dbraw/zinc/85/23/54/599852354.db2.gz JFINDTHPUOWRLM-GOSISDBHSA-N -1 0 349.390 3.629 20 0 EHADRM COc1ccc([C@@H](NCc2csc(C3CCCC3)n2)C(=O)[O-])cc1 ZINC000737972085 599862872 /nfs/dbraw/zinc/86/28/72/599862872.db2.gz UWJIBQSTEQKYKB-MRXNPFEDSA-N -1 0 346.452 3.725 20 0 EHADRM Cc1ccc(F)cc1C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000676018343 599871987 /nfs/dbraw/zinc/87/19/87/599871987.db2.gz HUBFBSOJOHYOKX-UHFFFAOYSA-N -1 0 343.379 3.977 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)c1cccnc1Cl ZINC000739436477 599873539 /nfs/dbraw/zinc/87/35/39/599873539.db2.gz NULATLIQEUTJPI-UHFFFAOYSA-N -1 0 346.795 3.578 20 0 EHADRM O=C([O-])c1ccc(CNC2(c3cccc(C(F)(F)F)c3)CC2)o1 ZINC000740130825 599875910 /nfs/dbraw/zinc/87/59/10/599875910.db2.gz QKVPZPOLYGOHLW-UHFFFAOYSA-N -1 0 325.286 3.776 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)C[C@@H]1CCCc2ccccc21 ZINC000738964208 599877755 /nfs/dbraw/zinc/87/77/55/599877755.db2.gz QVFDFWOJBFDSAH-AWEZNQCLSA-N -1 0 328.364 3.840 20 0 EHADRM Cc1cc(C)c2cc(C(=O)OCc3cc(C(=O)[O-])co3)sc2n1 ZINC000738358155 599880455 /nfs/dbraw/zinc/88/04/55/599880455.db2.gz RBIULXVOTULLAU-UHFFFAOYSA-N -1 0 331.349 3.561 20 0 EHADRM CCC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC000736972939 599881525 /nfs/dbraw/zinc/88/15/25/599881525.db2.gz HTDUQFZJRIGCSQ-GDBMZVCRSA-N -1 0 348.443 3.552 20 0 EHADRM C[C@H](OC(=O)c1cccc(C(=O)[O-])n1)c1ccc(C(F)(F)F)cc1 ZINC000736697031 599882398 /nfs/dbraw/zinc/88/23/98/599882398.db2.gz LOCQLBAFZOMCAD-VIFPVBQESA-N -1 0 339.269 3.717 20 0 EHADRM O=C([O-])c1coc(COC(=O)CCCOc2ccc(Cl)cc2)c1 ZINC000739234003 599883836 /nfs/dbraw/zinc/88/38/36/599883836.db2.gz PZWCANPXIBIXAD-UHFFFAOYSA-N -1 0 338.743 3.534 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)N(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000736886544 599884679 /nfs/dbraw/zinc/88/46/79/599884679.db2.gz JQHGIAUFYBXDJV-PVBRJXJSSA-N -1 0 345.439 3.589 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000729830464 599884826 /nfs/dbraw/zinc/88/48/26/599884826.db2.gz SYFMLAYSXJGZCD-SSCKCOOKSA-N -1 0 345.439 3.781 20 0 EHADRM C[C@@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)OC(C)(C)C ZINC000736727234 599886526 /nfs/dbraw/zinc/88/65/26/599886526.db2.gz YHDCLBIUVNIJMC-LBPRGKRZSA-N -1 0 346.383 3.871 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)cc1 ZINC000238036837 599887723 /nfs/dbraw/zinc/88/77/23/599887723.db2.gz JVSWRAHDURPCPU-PMACEKPBSA-N -1 0 345.398 3.958 20 0 EHADRM O=C([O-])c1cccc(C(=O)O[C@@H](c2ccccc2)c2cccnc2)c1 ZINC000740215862 599890685 /nfs/dbraw/zinc/89/06/85/599890685.db2.gz LJQXSSJTFOZNOC-SFHVURJKSA-N -1 0 333.343 3.726 20 0 EHADRM COc1cc(Cl)c(C)cc1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000737888254 599894479 /nfs/dbraw/zinc/89/44/79/599894479.db2.gz CPKJAOCXYABSBR-UHFFFAOYSA-N -1 0 334.759 3.999 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)c1ccccc1 ZINC000238025984 599896976 /nfs/dbraw/zinc/89/69/76/599896976.db2.gz NUSQIGNEYXIWPJ-SLFFLAALSA-N -1 0 345.398 3.885 20 0 EHADRM COc1cccc2sc(NC(=O)c3cccc(NC(=O)[O-])c3)nc21 ZINC000738114025 599897326 /nfs/dbraw/zinc/89/73/26/599897326.db2.gz RJRLUWZPQPKXPT-UHFFFAOYSA-N -1 0 343.364 3.647 20 0 EHADRM COc1ccc([C@H](NC(=O)c2cccc(NC(=O)[O-])c2)C2CC2)cc1 ZINC000737964410 599899017 /nfs/dbraw/zinc/89/90/17/599899017.db2.gz JJKLOILFXQIWOH-QGZVFWFLSA-N -1 0 340.379 3.666 20 0 EHADRM CC(C)N(Cc1cccc(F)c1)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736472326 599902029 /nfs/dbraw/zinc/90/20/29/599902029.db2.gz TWJJKBFSYMCVNN-UHFFFAOYSA-N -1 0 330.359 3.966 20 0 EHADRM CCCN(Cc1ccc(OC)cc1)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000737019268 599902878 /nfs/dbraw/zinc/90/28/78/599902878.db2.gz AQKRWTXZJFWTKO-UHFFFAOYSA-N -1 0 342.395 3.838 20 0 EHADRM CC(C)C[C@@H](C)n1nccc1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000736403772 599904566 /nfs/dbraw/zinc/90/45/66/599904566.db2.gz JWOAQWCXARBNDB-GFCCVEGCSA-N -1 0 330.388 3.832 20 0 EHADRM O=C([O-])c1cnc(/C=C\c2cnn(Cc3ccccc3Cl)c2)s1 ZINC000588011010 599907979 /nfs/dbraw/zinc/90/79/79/599907979.db2.gz NPBSWHBWTGQALM-WAYWQWQTSA-N -1 0 345.811 3.910 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CSc1nnc2ccccn21 ZINC000390649052 599908293 /nfs/dbraw/zinc/90/82/93/599908293.db2.gz MYNZSEOJIIUKJV-UHFFFAOYSA-N -1 0 341.417 3.935 20 0 EHADRM COc1ccc(CC[C@H](C)NC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000737992995 599910378 /nfs/dbraw/zinc/91/03/78/599910378.db2.gz RBZVSAYZLKCNLY-ZDUSSCGKSA-N -1 0 342.395 3.536 20 0 EHADRM C[C@H](OC(=O)c1sccc1OC(F)F)c1ccc(C(=O)[O-])cc1 ZINC000738227944 599912606 /nfs/dbraw/zinc/91/26/06/599912606.db2.gz JPIHEEILSMYRKX-QMMMGPOBSA-N -1 0 342.319 3.966 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2ccc(OC3CCCC3)nc2)c1 ZINC000740034076 599912831 /nfs/dbraw/zinc/91/28/31/599912831.db2.gz RGBJDSLCTGANST-UHFFFAOYSA-N -1 0 341.367 3.745 20 0 EHADRM CC(C)(Cc1ccccc1Cl)NC(=O)c1cccc(C(=O)[O-])c1 ZINC000236772315 599913822 /nfs/dbraw/zinc/91/38/22/599913822.db2.gz HQWRZWFIRNMSES-UHFFFAOYSA-N -1 0 331.799 3.789 20 0 EHADRM Cn1cc(C(=O)Nc2cccc(NC(=O)[O-])c2)c(C2CCCCC2)n1 ZINC000739023243 599914108 /nfs/dbraw/zinc/91/41/08/599914108.db2.gz UBGBYOSMDYZYKF-UHFFFAOYSA-N -1 0 342.399 3.810 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000738119441 599914674 /nfs/dbraw/zinc/91/46/74/599914674.db2.gz GPHWBCLVSVTFPW-QBFSEMIESA-N -1 0 325.364 3.744 20 0 EHADRM Cc1cc(NC(=O)COc2ccc(F)cc2Cl)ccc1C(=O)[O-] ZINC000194484700 599917021 /nfs/dbraw/zinc/91/70/21/599917021.db2.gz ZOTFFLRKIGNVSQ-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM Cc1cc(NC(=O)CCc2ccc([C@@H]3C[C@@H]3C)o2)ccc1C(=O)[O-] ZINC000392135476 599917118 /nfs/dbraw/zinc/91/71/18/599917118.db2.gz MZZNFTVFFNQWGJ-BLLLJJGKSA-N -1 0 327.380 3.981 20 0 EHADRM CC(C)(C(=O)Nc1cccc(CSCC(=O)[O-])c1)c1ccccc1 ZINC000236728966 599922793 /nfs/dbraw/zinc/92/27/93/599922793.db2.gz RHRVNCFXKDYFEZ-UHFFFAOYSA-N -1 0 343.448 3.921 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1C(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000136476421 599927862 /nfs/dbraw/zinc/92/78/62/599927862.db2.gz FYFVARZGBBIBDB-KRWDZBQOSA-N -1 0 345.345 3.711 20 0 EHADRM COc1ccccc1[C@H]1CCCCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000649455168 599929589 /nfs/dbraw/zinc/92/95/89/599929589.db2.gz IFRYIZJRLIFBQI-QGZVFWFLSA-N -1 0 339.391 3.761 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)c1cc(Cl)ccc1F)c1ccccc1 ZINC000193451134 599935285 /nfs/dbraw/zinc/93/52/85/599935285.db2.gz BQONZBNOTNAZAH-HNNXBMFYSA-N -1 0 335.762 3.815 20 0 EHADRM CC(C)c1ccsc1C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000486152438 599941911 /nfs/dbraw/zinc/94/19/11/599941911.db2.gz DJVHBGXPLRRJFI-CYBMUJFWSA-N -1 0 349.427 3.684 20 0 EHADRM CCCN(CC(=O)[O-])Cn1nc(-c2c(C)cc(C)cc2C)oc1=S ZINC000737014703 599953622 /nfs/dbraw/zinc/95/36/22/599953622.db2.gz UJGDGGOKQIUZDX-UHFFFAOYSA-N -1 0 349.456 3.552 20 0 EHADRM O=C([O-])CSCCC(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000739847589 599962455 /nfs/dbraw/zinc/96/24/55/599962455.db2.gz YLHWLOPLOFJIFJ-GOSISDBHSA-N -1 0 335.469 3.632 20 0 EHADRM Cc1oc(-c2ccsc2)nc1CC(=O)Oc1ccccc1C(=O)[O-] ZINC000738957214 599968327 /nfs/dbraw/zinc/96/83/27/599968327.db2.gz IPJDSBMZLWWVEP-UHFFFAOYSA-N -1 0 343.360 3.558 20 0 EHADRM C[C@H](CC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F)CC(C)(C)C ZINC000736541619 599971967 /nfs/dbraw/zinc/97/19/67/599971967.db2.gz NOFZTGPJHCLLON-MEBBXXQBSA-N -1 0 327.371 3.669 20 0 EHADRM Cc1ccc(-c2cc(NC(=O)c3cccc(NC(=O)[O-])c3)n[nH]2)s1 ZINC000738488155 599989927 /nfs/dbraw/zinc/98/99/27/599989927.db2.gz JAYMQHSTOYZHNQ-UHFFFAOYSA-N -1 0 342.380 3.789 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000128673869 599994501 /nfs/dbraw/zinc/99/45/01/599994501.db2.gz ZGMWHHLTINFLMN-STQMWFEESA-N -1 0 331.318 3.714 20 0 EHADRM CCOc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1F ZINC000737203262 599995944 /nfs/dbraw/zinc/99/59/44/599995944.db2.gz KLTARQCUSZHHEW-UHFFFAOYSA-N -1 0 346.358 3.553 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000238047690 599997089 /nfs/dbraw/zinc/99/70/89/599997089.db2.gz SIZKHKWWKXAMSP-CABCVRRESA-N -1 0 345.345 3.724 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)OCc2ccc(OC(F)F)cc2)c1 ZINC000740039718 599997502 /nfs/dbraw/zinc/99/75/02/599997502.db2.gz PVYCBAYTOHVULV-UHFFFAOYSA-N -1 0 337.278 3.735 20 0 EHADRM Cc1[nH]c2ccccc2c1CCNC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000738168128 600000043 /nfs/dbraw/zinc/00/00/43/600000043.db2.gz XMMPFMFTMLZKDM-UHFFFAOYSA-N -1 0 337.379 3.539 20 0 EHADRM CCc1ccc(C(=O)[C@@H](C)OC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000737256130 600000783 /nfs/dbraw/zinc/00/07/83/600000783.db2.gz PLFQCCYGDSEVGO-GFCCVEGCSA-N -1 0 341.363 3.767 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)c1 ZINC000737931155 600001144 /nfs/dbraw/zinc/00/11/44/600001144.db2.gz IQUKUENXIXVBNV-GJZGRUSLSA-N -1 0 345.782 3.789 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000325297374 600002075 /nfs/dbraw/zinc/00/20/75/600002075.db2.gz YWKCEGUBRUYLJR-ZJUUUORDSA-N -1 0 345.317 3.701 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)Cc2coc3cc(C)ccc23)c1 ZINC000326979947 600002103 /nfs/dbraw/zinc/00/21/03/600002103.db2.gz UHMMSGACBJIUEH-UHFFFAOYSA-N -1 0 339.347 3.629 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000325607254 600003370 /nfs/dbraw/zinc/00/33/70/600003370.db2.gz HEVHWONHBVFGDE-UHFFFAOYSA-N -1 0 327.380 3.943 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2sc(CC(C)C)nc2C)c1 ZINC000737942856 600003938 /nfs/dbraw/zinc/00/39/38/600003938.db2.gz PPVRFZGCBYHUPL-UHFFFAOYSA-N -1 0 348.424 3.609 20 0 EHADRM O=C([O-])CCC(=O)Nc1nc(C2CC2)c(Cc2ccc(F)cc2)s1 ZINC000576703639 600008848 /nfs/dbraw/zinc/00/88/48/600008848.db2.gz ZSJHCZKCLAGYPX-UHFFFAOYSA-N -1 0 348.399 3.554 20 0 EHADRM CCC[C@@H](NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000736971393 600013214 /nfs/dbraw/zinc/01/32/14/600013214.db2.gz CINUEXFQXRSTDW-GOSISDBHSA-N -1 0 338.407 3.951 20 0 EHADRM O=C([O-])CCN(Cc1ncc(-c2cccs2)o1)Cc1ccccc1 ZINC000739724224 600013272 /nfs/dbraw/zinc/01/32/72/600013272.db2.gz VSXTWNZSNFKDLP-UHFFFAOYSA-N -1 0 342.420 3.880 20 0 EHADRM COc1ccc(Cl)cc1CNC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000738013879 600013364 /nfs/dbraw/zinc/01/33/64/600013364.db2.gz OGLXAOPSDHQGJO-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)Oc2cccc(CC(=O)[O-])c2)cc1 ZINC000736891349 600015044 /nfs/dbraw/zinc/01/50/44/600015044.db2.gz NNQTUNPQCJRWRL-CYBMUJFWSA-N -1 0 348.420 3.595 20 0 EHADRM Cc1cc(NC(=O)N(C)CCCc2ccccc2)ccc1C(=O)[O-] ZINC000738437373 600015637 /nfs/dbraw/zinc/01/56/37/600015637.db2.gz GBICFDJZGDSTJH-UHFFFAOYSA-N -1 0 326.396 3.790 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c(C)c1)c1ccccc1OC ZINC000736913556 600017331 /nfs/dbraw/zinc/01/73/31/600017331.db2.gz CJNQSNATHKLACD-MRXNPFEDSA-N -1 0 342.395 3.975 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000738285537 600024129 /nfs/dbraw/zinc/02/41/29/600024129.db2.gz FRINFPMFWUNIJK-UHFFFAOYSA-N -1 0 328.295 3.727 20 0 EHADRM CCc1ccc(NC(=O)NC[C@H](Cc2cccc(C)c2)C(=O)[O-])cc1 ZINC000737264499 600025333 /nfs/dbraw/zinc/02/53/33/600025333.db2.gz CSLFVGKJPFPFHI-KRWDZBQOSA-N -1 0 340.423 3.622 20 0 EHADRM C/C(=C\C(=O)Oc1cccc(CC(=O)[O-])c1)c1ccccc1Cl ZINC000736122808 600026032 /nfs/dbraw/zinc/02/60/32/600026032.db2.gz ZNVLGEFJHOYXEW-FMIVXFBMSA-N -1 0 330.767 3.976 20 0 EHADRM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000261693751 600028732 /nfs/dbraw/zinc/02/87/32/600028732.db2.gz JJGBZFPFBHCJFD-BZUNDVKYSA-N -1 0 338.835 3.686 20 0 EHADRM CCN(C(=O)NC1CCC(C(=O)[O-])CC1)[C@H](C)c1ccc(F)cc1 ZINC000414633201 600030842 /nfs/dbraw/zinc/03/08/42/600030842.db2.gz ZADPHMJJQUORTI-XEBKBJJBSA-N -1 0 336.407 3.562 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)NC2CCC(C(=O)[O-])CC2)cc1C ZINC000414628402 600031806 /nfs/dbraw/zinc/03/18/06/600031806.db2.gz SBVNGLCJCFCEOP-VJFUWPCTSA-N -1 0 344.455 3.793 20 0 EHADRM CO[C@](C)(C(=O)Oc1ccc(C(=O)[O-])cc1Cl)c1ccccc1 ZINC000737724259 600035520 /nfs/dbraw/zinc/03/55/20/600035520.db2.gz XIODJGOMGKEARD-KRWDZBQOSA-N -1 0 334.755 3.505 20 0 EHADRM C[C@H](c1ccc(F)cc1)N(C)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237402054 600035580 /nfs/dbraw/zinc/03/55/80/600035580.db2.gz OFRBYJNTTSVVJJ-CYBMUJFWSA-N -1 0 329.371 3.676 20 0 EHADRM CO[C@](C)(C(=O)Nc1cc(C(=O)[O-])ccc1Cl)c1ccccc1 ZINC000737724296 600035612 /nfs/dbraw/zinc/03/56/12/600035612.db2.gz YJXJKSSDEQBSGR-KRWDZBQOSA-N -1 0 333.771 3.539 20 0 EHADRM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237402011 600036596 /nfs/dbraw/zinc/03/65/96/600036596.db2.gz QUDVJADEURPJRL-GFCCVEGCSA-N -1 0 347.361 3.815 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N2CCC(c3ccccc3)CC2)cc1 ZINC000238060197 600036724 /nfs/dbraw/zinc/03/67/24/600036724.db2.gz VAOHTYSGUDRPLB-UHFFFAOYSA-N -1 0 337.419 3.724 20 0 EHADRM CC(C)C[C@H](C)n1nccc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000736403228 600038514 /nfs/dbraw/zinc/03/85/14/600038514.db2.gz CUTXEBFLDCPMSS-AWEZNQCLSA-N -1 0 343.427 3.760 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)C2 ZINC000740189597 600042255 /nfs/dbraw/zinc/04/22/55/600042255.db2.gz WCDJHNPWBBAYCM-IAGOWNOFSA-N -1 0 341.794 3.684 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)C2 ZINC000740189598 600042366 /nfs/dbraw/zinc/04/23/66/600042366.db2.gz WCDJHNPWBBAYCM-IRXDYDNUSA-N -1 0 341.794 3.684 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCCc3cc(Cl)cc(F)c32)c1 ZINC000740215291 600046254 /nfs/dbraw/zinc/04/62/54/600046254.db2.gz SVNREHVZFDFBMN-UHFFFAOYSA-N -1 0 333.746 3.770 20 0 EHADRM CC(C)(C)c1cc(NC(=O)c2cccc(C(=O)[O-])c2)n(C(C)(C)C)n1 ZINC000580080361 600049044 /nfs/dbraw/zinc/04/90/44/600049044.db2.gz WWHPUBAZIOIJNO-UHFFFAOYSA-N -1 0 343.427 3.886 20 0 EHADRM CCCCN(CC)c1ccc(C(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000236730081 600049218 /nfs/dbraw/zinc/04/92/18/600049218.db2.gz DMEFEXPEAMVSNF-UHFFFAOYSA-N -1 0 346.471 3.686 20 0 EHADRM Cc1ccc(C)c(C(=O)Nc2nc3nc(C)cc(C(=O)[O-])c3s2)c1 ZINC000738572883 600051301 /nfs/dbraw/zinc/05/13/01/600051301.db2.gz HBNVIMVXLRALLZ-UHFFFAOYSA-N -1 0 341.392 3.567 20 0 EHADRM O=C([O-])c1cccc(CSc2nnc(Cc3cccs3)o2)c1 ZINC000740226268 600056642 /nfs/dbraw/zinc/05/66/42/600056642.db2.gz WITMPBLCJSVPBF-UHFFFAOYSA-N -1 0 332.406 3.712 20 0 EHADRM C[C@H]1CCCC[C@H]1NC(=S)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736786180 600056883 /nfs/dbraw/zinc/05/68/83/600056883.db2.gz SZAQTECMEAMMQV-JOYOIKCWSA-N -1 0 325.409 3.781 20 0 EHADRM C[C@H]1CCCC[C@@H]1NC(=S)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736786179 600056967 /nfs/dbraw/zinc/05/69/67/600056967.db2.gz SZAQTECMEAMMQV-CABZTGNLSA-N -1 0 325.409 3.781 20 0 EHADRM Cc1cccc(C[C@H](CNC(=O)c2cccc3ccccc32)C(=O)[O-])c1 ZINC000237697483 600063490 /nfs/dbraw/zinc/06/34/90/600063490.db2.gz KNXRTMRLFBOINH-GOSISDBHSA-N -1 0 347.414 3.822 20 0 EHADRM C/C(=C/C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-])c1ccccc1Cl ZINC000736117420 600072017 /nfs/dbraw/zinc/07/20/17/600072017.db2.gz JFPJXEIWYMZLOZ-PSTDJGNZSA-N -1 0 347.842 3.988 20 0 EHADRM Cc1ccccc1-c1nc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])cs1 ZINC000679396594 600075326 /nfs/dbraw/zinc/07/53/26/600075326.db2.gz ALJZMCOLVFHHLM-CYBMUJFWSA-N -1 0 344.436 3.588 20 0 EHADRM CCc1ccc2c(CNc3ccc(F)c(C(=O)[O-])c3)cc(=O)oc2c1 ZINC000737266336 600076138 /nfs/dbraw/zinc/07/61/38/600076138.db2.gz APUQGVNSEIVVCR-UHFFFAOYSA-N -1 0 341.338 3.805 20 0 EHADRM Cc1ccc(OCCC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1C ZINC000738644534 600088021 /nfs/dbraw/zinc/08/80/21/600088021.db2.gz YPBSVVNMSYFIDM-UHFFFAOYSA-N -1 0 346.358 3.940 20 0 EHADRM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000738735240 600091133 /nfs/dbraw/zinc/09/11/33/600091133.db2.gz TYGPCYOSYZVVNG-NSHDSACASA-N -1 0 332.331 3.630 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)NCCCc2cccc(F)c2)ccc1F ZINC000740008575 600096914 /nfs/dbraw/zinc/09/69/14/600096914.db2.gz RDOJODZOOGUVDY-UHFFFAOYSA-N -1 0 349.337 3.809 20 0 EHADRM C[C@@H](OC(=O)CCc1ccc(C(=O)[O-])cc1)c1c(F)cccc1F ZINC000736690397 600100479 /nfs/dbraw/zinc/10/04/79/600100479.db2.gz BYQCMEUDCOPGBE-LLVKDONJSA-N -1 0 334.318 3.900 20 0 EHADRM Cc1ccc(OS(=O)(=O)c2ccc3ccccc3c2)c(C(=O)[O-])c1 ZINC000013268172 600106703 /nfs/dbraw/zinc/10/67/03/600106703.db2.gz XVBRRUWETUUKKT-UHFFFAOYSA-N -1 0 342.372 3.614 20 0 EHADRM Cc1[nH]c2ccccc2c1CC(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000738248210 600113677 /nfs/dbraw/zinc/11/36/77/600113677.db2.gz CPEDUAXTIJJMFK-UHFFFAOYSA-N -1 0 341.338 3.600 20 0 EHADRM CN(C)c1ccc([C@H]2C[C@H]2c2nc(-c3ccc(C(=O)[O-])cc3)no2)cc1 ZINC000737377320 600114307 /nfs/dbraw/zinc/11/43/07/600114307.db2.gz LGPJBETZDJZYFX-IAGOWNOFSA-N -1 0 349.390 3.772 20 0 EHADRM CC(C)CCN(C)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000736426739 600123736 /nfs/dbraw/zinc/12/37/36/600123736.db2.gz OBAAOBWBYBSZEU-UHFFFAOYSA-N -1 0 338.473 3.904 20 0 EHADRM CC[C@@H](C)[C@@H](C)NC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000736870972 600124005 /nfs/dbraw/zinc/12/40/05/600124005.db2.gz MSZLPFAEBSMLFN-CHWSQXEVSA-N -1 0 338.473 3.951 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)N2CCC[C@@H]2C2CC2)c1 ZINC000739754504 600124385 /nfs/dbraw/zinc/12/43/85/600124385.db2.gz SZXKRYSFKNNLTN-MRXNPFEDSA-N -1 0 348.468 3.801 20 0 EHADRM Cc1occc1CNC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000738984031 600124438 /nfs/dbraw/zinc/12/44/38/600124438.db2.gz ARBHMYSXDMBWQD-UHFFFAOYSA-N -1 0 348.424 3.618 20 0 EHADRM CC[C@@](NC(=O)c1cnc(C(C)(C)C)s1)(C(=O)[O-])c1ccccc1 ZINC000485388934 600126277 /nfs/dbraw/zinc/12/62/77/600126277.db2.gz WSXZBLFHFXUBGL-SFHVURJKSA-N -1 0 346.452 3.561 20 0 EHADRM CC[C@@](NC(=O)c1ccc(F)cc1Cl)(C(=O)[O-])c1ccccc1 ZINC000736915866 600134743 /nfs/dbraw/zinc/13/47/43/600134743.db2.gz DBRFFXXHYWFPNG-KRWDZBQOSA-N -1 0 335.762 3.599 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000120189738 600142555 /nfs/dbraw/zinc/14/25/55/600142555.db2.gz GJUYMRYIURGOKR-ZDUSSCGKSA-N -1 0 341.407 3.909 20 0 EHADRM C[C@@H](NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-])c1ccccc1 ZINC000192927205 600147794 /nfs/dbraw/zinc/14/77/94/600147794.db2.gz YRLMAWKYLMDDGH-OLZOCXBDSA-N -1 0 329.421 3.743 20 0 EHADRM Cc1ccc2c(Cl)c(C(=O)NC3(C(=O)[O-])CCCC3)sc2c1 ZINC000676209816 600153321 /nfs/dbraw/zinc/15/33/21/600153321.db2.gz HZHUNOWZYFZBPV-UHFFFAOYSA-N -1 0 337.828 3.990 20 0 EHADRM Cc1ccc([C@H](CNC(=O)c2cccc3ccccc32)C(=O)[O-])cc1 ZINC000486376275 600155516 /nfs/dbraw/zinc/15/55/16/600155516.db2.gz HZRIEOFSMFKEPO-IBGZPJMESA-N -1 0 333.387 3.746 20 0 EHADRM Cc1ccc(OCCC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1C ZINC000392204181 600166599 /nfs/dbraw/zinc/16/65/99/600166599.db2.gz GKQFDNXIVZTKTK-UHFFFAOYSA-N -1 0 331.343 3.548 20 0 EHADRM Cc1cc2occ(CC(=O)N(C)C(C)(C)C(=O)[O-])c2cc1C(C)C ZINC000362331813 600166697 /nfs/dbraw/zinc/16/66/97/600166697.db2.gz DHIJWPCBDYEBBS-UHFFFAOYSA-N -1 0 331.412 3.729 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)OCc1cc(C)c(C(=O)[O-])o1 ZINC000738125493 600175691 /nfs/dbraw/zinc/17/56/91/600175691.db2.gz DRVFOEISSZEFIC-LBPRGKRZSA-N -1 0 346.379 3.607 20 0 EHADRM CCCc1ccc(NC(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000737045138 600176019 /nfs/dbraw/zinc/17/60/19/600176019.db2.gz OJLGGNKLDRVHBU-GOSISDBHSA-N -1 0 340.423 3.937 20 0 EHADRM O=C([O-])c1coc(COC(=O)c2sccc2SC(F)F)c1 ZINC000740269573 600176110 /nfs/dbraw/zinc/17/61/10/600176110.db2.gz OFWWVBJHRMPMNR-UHFFFAOYSA-N -1 0 334.321 3.711 20 0 EHADRM Cc1ccc([C@H](CNC(=O)Nc2c(C)cccc2C)C(=O)[O-])cc1 ZINC000738561570 600176783 /nfs/dbraw/zinc/17/67/83/600176783.db2.gz RIUCDVWKGQZTHW-INIZCTEOSA-N -1 0 326.396 3.602 20 0 EHADRM CCN(C(=O)Nc1cc(C(=O)[O-])c(F)cc1F)[C@H](C)c1cccnc1 ZINC000737059352 600180751 /nfs/dbraw/zinc/18/07/51/600180751.db2.gz ACCWIXSYGKHZNW-SNVBAGLBSA-N -1 0 349.337 3.673 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000736617432 600192827 /nfs/dbraw/zinc/19/28/27/600192827.db2.gz GCDQWRIFWDIFBU-AWEZNQCLSA-N -1 0 335.469 3.709 20 0 EHADRM Cc1cc2[nH]c(C(=O)N(C)[C@H](C(=O)[O-])c3ccccc3)cc2c(C)c1 ZINC000738357626 600194518 /nfs/dbraw/zinc/19/45/18/600194518.db2.gz LGWBKMKLNPOGFG-SFHVURJKSA-N -1 0 336.391 3.683 20 0 EHADRM CN(C(=O)c1[nH]c2ccccc2c1Cl)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737332754 600194935 /nfs/dbraw/zinc/19/49/35/600194935.db2.gz BJOBNDWUYRDBKH-MRXNPFEDSA-N -1 0 342.782 3.719 20 0 EHADRM O=C([O-])CN(C(=O)CCSc1ccccc1Cl)c1ccccc1 ZINC000320169707 600197549 /nfs/dbraw/zinc/19/75/49/600197549.db2.gz MFCLTHZBYWJCFH-UHFFFAOYSA-N -1 0 349.839 3.940 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)O[C@H](C)c1ccc(OC(F)F)cc1 ZINC000736424547 600203221 /nfs/dbraw/zinc/20/32/21/600203221.db2.gz IHBJAIIAAVCZQG-ZWNOBZJWSA-N -1 0 345.342 3.575 20 0 EHADRM CCC[C@@H](C)CC(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000236848886 600204722 /nfs/dbraw/zinc/20/47/22/600204722.db2.gz ZTSWXKIMKCGLCA-GFCCVEGCSA-N -1 0 327.371 3.594 20 0 EHADRM Cc1ccc([C@@H]2NC(=O)N(Cc3cccs3)C(C)=C2C(=O)[O-])cc1 ZINC000736749665 600206011 /nfs/dbraw/zinc/20/60/11/600206011.db2.gz DPHGQGDADJOLOS-INIZCTEOSA-N -1 0 342.420 3.682 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000675946299 600206321 /nfs/dbraw/zinc/20/63/21/600206321.db2.gz CCFRZLFMPRMPQI-KRWDZBQOSA-N -1 0 339.435 3.992 20 0 EHADRM C[C@H](CC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-])c1cccc(F)c1 ZINC000262333637 600207128 /nfs/dbraw/zinc/20/71/28/600207128.db2.gz FHPNARJHRHZZQC-WNOSKKOXSA-N -1 0 333.403 3.564 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H](c1ccccc1)c1cccc2ccccc21 ZINC000485747399 600207230 /nfs/dbraw/zinc/20/72/30/600207230.db2.gz GHMJQUXMXIWBDY-ZCNNSNEGSA-N -1 0 345.398 3.766 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(OCCC(=O)[O-])cc1)c1cccc(F)c1 ZINC000237599742 600207436 /nfs/dbraw/zinc/20/74/36/600207436.db2.gz RMHVACQYKLSATG-ZDUSSCGKSA-N -1 0 345.370 3.812 20 0 EHADRM O=C([O-])CN(Cc1ccc(F)c(F)c1)Cc1ccc2ccccc2n1 ZINC000739795188 600209209 /nfs/dbraw/zinc/20/92/09/600209209.db2.gz CDVMDVGCGOUWBZ-UHFFFAOYSA-N -1 0 342.345 3.600 20 0 EHADRM C[C@@H](CC(=O)N1C[C@H](C(=O)[O-])c2ccccc21)c1ccccc1F ZINC000192935205 600214845 /nfs/dbraw/zinc/21/48/45/600214845.db2.gz MTKFUFPQERQDBL-WFASDCNBSA-N -1 0 327.355 3.534 20 0 EHADRM O=C([O-])c1sc(N[C@H]2C[C@H]2c2c(F)cccc2F)nc1Cl ZINC000740278075 600215454 /nfs/dbraw/zinc/21/54/54/600215454.db2.gz BAWGULRKGGHSQZ-XRGYYRRGSA-N -1 0 330.743 3.741 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)c2ccccc21 ZINC000192948163 600218848 /nfs/dbraw/zinc/21/88/48/600218848.db2.gz BROSXIJRUAPTJB-OWCLPIDISA-N -1 0 341.794 3.659 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)Nc2nnc(-c3ccco3)s2)c1 ZINC000740041860 600230012 /nfs/dbraw/zinc/23/00/12/600230012.db2.gz WQGLVHPJFUDMLP-UHFFFAOYSA-N -1 0 345.340 3.532 20 0 EHADRM O=C([O-])c1ccc(-c2noc(-c3ccc(C(F)(F)F)nc3)n2)cc1 ZINC000740100900 600245887 /nfs/dbraw/zinc/24/58/87/600245887.db2.gz YNMIDNCIJITIDR-UHFFFAOYSA-N -1 0 335.241 3.516 20 0 EHADRM Cc1ccc(NC(=O)c2cccc(Oc3cnccn3)c2)c(C(=O)[O-])c1 ZINC000431993653 600247272 /nfs/dbraw/zinc/24/72/72/600247272.db2.gz SWDBWDWUKFMMCZ-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cc(Br)ccc2F)s1 ZINC000036753148 600248141 /nfs/dbraw/zinc/24/81/41/600248141.db2.gz GVJSEVWCJOSWIX-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)CSc1cc(C)ccc1C ZINC000738085557 600249137 /nfs/dbraw/zinc/24/91/37/600249137.db2.gz OTDOWRYOEAPMSP-UHFFFAOYSA-N -1 0 346.404 3.708 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)CSc1ccc(C)cc1C ZINC000738085567 600249280 /nfs/dbraw/zinc/24/92/80/600249280.db2.gz PACZORDLKQFMGK-UHFFFAOYSA-N -1 0 346.404 3.708 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1cc2c(s1)CCCC2 ZINC000738091293 600249661 /nfs/dbraw/zinc/24/96/61/600249661.db2.gz XSRJUNAJXJBTNF-UHFFFAOYSA-N -1 0 332.377 3.553 20 0 EHADRM Cc1ccc(N2CCCC2)c(C(=O)Nc2cc(C(=O)[O-])ccc2F)c1 ZINC000738614435 600249709 /nfs/dbraw/zinc/24/97/09/600249709.db2.gz MLNMFDRCTFNSTL-UHFFFAOYSA-N -1 0 342.370 3.685 20 0 EHADRM Cc1cc(NC(=O)C[C@H](c2ccccc2)C(F)(F)F)c(C(=O)[O-])[nH]1 ZINC000738426338 600253774 /nfs/dbraw/zinc/25/37/74/600253774.db2.gz YNSOAQDKXINTIF-LLVKDONJSA-N -1 0 340.301 3.696 20 0 EHADRM Cc1oc(CN(C)C(=O)c2cc3c(ccc(C)c3C)[nH]2)cc1C(=O)[O-] ZINC000262439090 600254489 /nfs/dbraw/zinc/25/44/89/600254489.db2.gz FXKFSPZXRUQJMZ-UHFFFAOYSA-N -1 0 340.379 3.657 20 0 EHADRM CCO[C@H](C)c1nc(CN(C)Cc2ccc(C(=O)[O-])cc2)cs1 ZINC000263575648 600260538 /nfs/dbraw/zinc/26/05/38/600260538.db2.gz PISFDVYZWJTTKG-GFCCVEGCSA-N -1 0 334.441 3.571 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)SCc2ccn(C(C)C)n2)c(C)c1C(=O)[O-] ZINC000738234047 600265118 /nfs/dbraw/zinc/26/51/18/600265118.db2.gz DBBVOUDFSAYYNW-LBPRGKRZSA-N -1 0 349.456 3.612 20 0 EHADRM CC(C)Sc1ccc(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000262115320 600267030 /nfs/dbraw/zinc/26/70/30/600267030.db2.gz KLPPYJCYESFICH-HNNXBMFYSA-N -1 0 333.453 3.514 20 0 EHADRM O=C([O-])[C@H]1CC12CCN(C(=O)c1cc3c(ccc4ccccc34)[nH]1)CC2 ZINC000263275640 600267861 /nfs/dbraw/zinc/26/78/61/600267861.db2.gz QOMMMUOKNNRCFJ-MRXNPFEDSA-N -1 0 348.402 3.648 20 0 EHADRM CC(C)CCc1noc(CSc2nc3ccc(C(=O)[O-])cc3o2)n1 ZINC000736436953 600276223 /nfs/dbraw/zinc/27/62/23/600276223.db2.gz ZGZVPANOLFPFCA-UHFFFAOYSA-N -1 0 347.396 3.790 20 0 EHADRM C[C@H](NC(=S)Nc1ccc(CNC(=O)[O-])cc1)c1cccs1 ZINC000736660841 600280482 /nfs/dbraw/zinc/28/04/82/600280482.db2.gz OYOGTOXCGGFMCV-JTQLQIEISA-N -1 0 335.454 3.563 20 0 EHADRM CC[C@@H](C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)c1c(C)noc1C ZINC000736848089 600283505 /nfs/dbraw/zinc/28/35/05/600283505.db2.gz MHBHBKXMXCHDEH-OAHLLOKOSA-N -1 0 345.399 3.534 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N2CCC[C@H]2c2ccccn2)c1 ZINC000740074109 600284355 /nfs/dbraw/zinc/28/43/55/600284355.db2.gz IAONUQQUUMOKED-HNNXBMFYSA-N -1 0 345.786 3.802 20 0 EHADRM Cc1ccc(SCC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cc1 ZINC000738668191 600287237 /nfs/dbraw/zinc/28/72/37/600287237.db2.gz PJVWNTZGSNYEFU-UHFFFAOYSA-N -1 0 344.436 3.836 20 0 EHADRM C[S@@](=O)Cc1ccc(Cl)c(NCc2cccc(C(=O)[O-])c2)c1 ZINC000738179095 600316976 /nfs/dbraw/zinc/31/69/76/600316976.db2.gz ICIMFTQYRFYEFG-JOCHJYFZSA-N -1 0 337.828 3.529 20 0 EHADRM COc1cccc(CCC(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000738095319 600324353 /nfs/dbraw/zinc/32/43/53/600324353.db2.gz UWTHNCPLMINFBW-KRWDZBQOSA-N -1 0 348.782 3.650 20 0 EHADRM Cc1ccc(NC(=O)[C@H](C)Nc2ccc(CNC(=O)[O-])cc2)c(C)c1 ZINC000738615554 600327420 /nfs/dbraw/zinc/32/74/20/600327420.db2.gz MWTRAPXUCQVRRO-AWEZNQCLSA-N -1 0 341.411 3.510 20 0 EHADRM CCN(CC(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1)c1ccccc1 ZINC000737079475 600329588 /nfs/dbraw/zinc/32/95/88/600329588.db2.gz OGERPLIJYOBPQC-KRWDZBQOSA-N -1 0 347.798 3.535 20 0 EHADRM CSc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)o1 ZINC000738198239 600330587 /nfs/dbraw/zinc/33/05/87/600330587.db2.gz ANIGMDUYHUMZEP-LBPRGKRZSA-N -1 0 326.757 3.638 20 0 EHADRM CSc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)o1 ZINC000738198235 600330602 /nfs/dbraw/zinc/33/06/02/600330602.db2.gz ANIGMDUYHUMZEP-GFCCVEGCSA-N -1 0 326.757 3.638 20 0 EHADRM CC[C@H]1CN(Cc2c(C(=O)[O-])sc3cccc(F)c32)C[C@@H](C)O1 ZINC000736945278 600332498 /nfs/dbraw/zinc/33/24/98/600332498.db2.gz VYIIAFMVIIZXNW-MNOVXSKESA-N -1 0 337.416 3.738 20 0 EHADRM C[C@@H](c1ccccc1F)N(C)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736725137 600348264 /nfs/dbraw/zinc/34/82/64/600348264.db2.gz SBHRHYCQZSGENF-LBPRGKRZSA-N -1 0 345.374 3.818 20 0 EHADRM Cc1ccccc1[C@H](C)NC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000738758169 600348317 /nfs/dbraw/zinc/34/83/17/600348317.db2.gz JMUJUCJZVLJZIY-AWEZNQCLSA-N -1 0 341.411 3.988 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccccc1 ZINC000736322184 600349039 /nfs/dbraw/zinc/34/90/39/600349039.db2.gz RKQKZVQVKKVSFC-UHFFFAOYSA-N -1 0 341.411 3.554 20 0 EHADRM C[C@H](SCc1noc(CCCC(=O)[O-])n1)c1ccc(F)c(F)c1 ZINC000736712494 600351708 /nfs/dbraw/zinc/35/17/08/600351708.db2.gz NETDSYVBGNISEV-VIFPVBQESA-N -1 0 342.367 3.750 20 0 EHADRM CC(C)[C@@H]1CCCN(C(=O)Nc2ccc(CNC(=O)[O-])cc2)CC1 ZINC000736395507 600354343 /nfs/dbraw/zinc/35/43/43/600354343.db2.gz NYPULBJBRQFIEA-OAHLLOKOSA-N -1 0 333.432 3.744 20 0 EHADRM CCc1nc([C@@H](C)NC(=O)Nc2cc(C(=O)[O-])ccc2C)cs1 ZINC000737276688 600355583 /nfs/dbraw/zinc/35/55/83/600355583.db2.gz NHRRWPXDMKWKIE-SNVBAGLBSA-N -1 0 333.413 3.595 20 0 EHADRM COc1ccc2nc(NCCc3ccc(NC(=O)[O-])cc3)ccc2c1 ZINC000738079348 600364328 /nfs/dbraw/zinc/36/43/28/600364328.db2.gz MVFFUVLLLMDRJL-UHFFFAOYSA-N -1 0 337.379 3.988 20 0 EHADRM Cc1cc(C)cc(NC(=S)NCCc2ccc(NC(=O)[O-])cc2)c1 ZINC000738364365 600366366 /nfs/dbraw/zinc/36/63/66/600366366.db2.gz QHQVSXCVOGRASY-UHFFFAOYSA-N -1 0 343.452 3.922 20 0 EHADRM Cc1cc(NC(=O)Cc2c[nH]c3ccc(F)cc23)sc1C(=O)[O-] ZINC000738239179 600369834 /nfs/dbraw/zinc/36/98/34/600369834.db2.gz ZVPCRUBWUHWAJS-UHFFFAOYSA-N -1 0 332.356 3.556 20 0 EHADRM CCc1cccc2c(CC(=O)Nc3cc(C)c(C(=O)[O-])s3)c[nH]c21 ZINC000737269825 600370455 /nfs/dbraw/zinc/37/04/55/600370455.db2.gz HUHLALUIGDYBJN-UHFFFAOYSA-N -1 0 342.420 3.980 20 0 EHADRM Cc1cc(NC(=O)CCOc2cccc(Cl)c2)sc1C(=O)[O-] ZINC000386553581 600372566 /nfs/dbraw/zinc/37/25/66/600372566.db2.gz MGMRXAWEDIMGTE-UHFFFAOYSA-N -1 0 339.800 3.816 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)CC/C=C/c2ccccc2)c1 ZINC000237977443 600374790 /nfs/dbraw/zinc/37/47/90/600374790.db2.gz LCWWPRCOABFDFN-RUDMXATFSA-N -1 0 325.364 3.582 20 0 EHADRM O=C([O-])[C@H](NC(=O)CC/C=C\c1ccccc1)c1cc(F)ccc1F ZINC000739234566 600377635 /nfs/dbraw/zinc/37/76/35/600377635.db2.gz HJUVUVBUSQBIBE-MPYGFJLXSA-N -1 0 345.345 3.700 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000237365103 600379790 /nfs/dbraw/zinc/37/97/90/600379790.db2.gz VNVWFTKVSLTODL-JTQLQIEISA-N -1 0 335.762 3.995 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)Cc1c(F)cccc1Cl)c1ccccc1 ZINC000736853013 600379809 /nfs/dbraw/zinc/37/98/09/600379809.db2.gz QKGCDGFAJCHCHF-INIZCTEOSA-N -1 0 349.789 3.918 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000738661503 600381150 /nfs/dbraw/zinc/38/11/50/600381150.db2.gz LVYOZIUCDYOCLM-FUHWJXTLSA-N -1 0 338.407 3.918 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)/C=C/c1ccnc2ccccc12 ZINC000739215437 600382090 /nfs/dbraw/zinc/38/20/90/600382090.db2.gz JOTPTZQUNBHNDF-VMPITWQZSA-N -1 0 336.322 3.724 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)/C=C\C1CCCCC1)C(=O)[O-] ZINC000736585041 600382504 /nfs/dbraw/zinc/38/25/04/600382504.db2.gz RJNWZSDPLMLYEN-BFFYNSAMSA-N -1 0 329.440 3.872 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@@H]2CCCOc3ccccc32)ccc1F ZINC000739472328 600385949 /nfs/dbraw/zinc/38/59/49/600385949.db2.gz QOIHQWUUFPOMQG-OAHLLOKOSA-N -1 0 344.342 3.559 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)ccc1F ZINC000739470720 600386975 /nfs/dbraw/zinc/38/69/75/600386975.db2.gz FERDUMJYGLMZEE-RKDXNWHRSA-N -1 0 348.296 3.767 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)/C=C/c1cccc(F)c1)c1ccccc1 ZINC000736850376 600389449 /nfs/dbraw/zinc/38/94/49/600389449.db2.gz WGIFZIHSHNKYIQ-FLVLSHQESA-N -1 0 327.355 3.735 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000736598220 600390935 /nfs/dbraw/zinc/39/09/35/600390935.db2.gz JMPWZTHFMXNRGI-SNVBAGLBSA-N -1 0 334.322 3.588 20 0 EHADRM Cc1cccc(-c2ccc(CNC(=O)c3ccc(C(=O)[O-])cn3)cc2)c1 ZINC000738681111 600391021 /nfs/dbraw/zinc/39/10/21/600391021.db2.gz SDBXHWBRYSIGMT-UHFFFAOYSA-N -1 0 346.386 3.685 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1cc(F)ccc1F ZINC000736649560 600391237 /nfs/dbraw/zinc/39/12/37/600391237.db2.gz SHZFQFMABDGMHN-QMMMGPOBSA-N -1 0 338.285 3.685 20 0 EHADRM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)CCSCC(=O)[O-])cc1 ZINC000738584602 600391346 /nfs/dbraw/zinc/39/13/46/600391346.db2.gz ZNZIKYNGNYNMOA-KBXCAEBGSA-N -1 0 335.469 3.503 20 0 EHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2ccsc2)cc1 ZINC000236604917 600392051 /nfs/dbraw/zinc/39/20/51/600392051.db2.gz BCTXRCBKNWGQEF-MRXNPFEDSA-N -1 0 345.464 3.920 20 0 EHADRM C[C@H]1Cc2ccccc2[C@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000736823245 600401207 /nfs/dbraw/zinc/40/12/07/600401207.db2.gz BPNHIAIGONUXBI-QFYYESIMSA-N -1 0 328.343 3.579 20 0 EHADRM COc1cc(NC(=O)[C@H](C)CC2CCCC2)c(C(=O)[O-])cc1OC ZINC000737893094 600403131 /nfs/dbraw/zinc/40/31/31/600403131.db2.gz XAFPDYJODSYGAH-LLVKDONJSA-N -1 0 335.400 3.557 20 0 EHADRM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000565101668 600403433 /nfs/dbraw/zinc/40/34/33/600403433.db2.gz SCMBVWYXYSSNLE-IAGOWNOFSA-N -1 0 349.789 3.678 20 0 EHADRM C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736787260 600408187 /nfs/dbraw/zinc/40/81/87/600408187.db2.gz YIZPARWZZFOFKA-MWLCHTKSSA-N -1 0 342.342 3.686 20 0 EHADRM CCc1[nH]c(C(=O)N(CC(F)(F)F)[C@@H](C)C(C)C)c(C)c1C(=O)[O-] ZINC000737237787 600409508 /nfs/dbraw/zinc/40/95/08/600409508.db2.gz PUJSZLFTPVIFBK-JTQLQIEISA-N -1 0 348.365 3.633 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000486404371 600414078 /nfs/dbraw/zinc/41/40/78/600414078.db2.gz LUQYNPQPLGZQMA-SJLPKXTDSA-N -1 0 331.456 3.886 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2cccc(Nc3ccccc3)c2)n1 ZINC000362502480 600414551 /nfs/dbraw/zinc/41/45/51/600414551.db2.gz ZVCZONQRMNSIAH-UHFFFAOYSA-N -1 0 333.347 3.776 20 0 EHADRM CCOc1ccc(N[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1OC ZINC000737203928 600417518 /nfs/dbraw/zinc/41/75/18/600417518.db2.gz UBIGUQBBJSOCJI-MRXNPFEDSA-N -1 0 335.787 3.985 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000236838084 600418310 /nfs/dbraw/zinc/41/83/10/600418310.db2.gz GIDKMAWKAULUGZ-MNOVXSKESA-N -1 0 344.238 3.857 20 0 EHADRM C[C@@H](C(=O)Nc1cc(C(=O)[O-])ccn1)c1c(Cl)cccc1Cl ZINC000736216241 600429727 /nfs/dbraw/zinc/42/97/27/600429727.db2.gz PAODHYYOMBTJQJ-MRVPVSSYSA-N -1 0 339.178 3.829 20 0 EHADRM C[C@H](NC(=O)NCCCCC(=O)[O-])c1cccc(Cl)c1Cl ZINC000666529808 600439621 /nfs/dbraw/zinc/43/96/21/600439621.db2.gz UOJIFXZQOTWZHJ-VIFPVBQESA-N -1 0 333.215 3.609 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N2CCS[C@@H](c3ccccc3)C2)c1 ZINC000740227926 600441056 /nfs/dbraw/zinc/44/10/56/600441056.db2.gz FODAWWJIPGONKA-MRXNPFEDSA-N -1 0 342.420 3.707 20 0 EHADRM C/C(=C/C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(F)cc1 ZINC000736121004 600453456 /nfs/dbraw/zinc/45/34/56/600453456.db2.gz NUVRGMVATLSVLZ-QXPKXGMISA-N -1 0 332.302 3.737 20 0 EHADRM CC(C)[C@@H](OC(=O)c1cccc(COc2cccc(F)c2)c1)C(=O)[O-] ZINC000736388234 600453527 /nfs/dbraw/zinc/45/35/27/600453527.db2.gz BYOFUMTWTMVBGH-QGZVFWFLSA-N -1 0 346.354 3.671 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736626888 600453897 /nfs/dbraw/zinc/45/38/97/600453897.db2.gz OZBVVVNSAQIKJK-BZNIZROVSA-N -1 0 334.318 3.513 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CCc2cc(F)ccc2[C@H]1C ZINC000738534646 600455421 /nfs/dbraw/zinc/45/54/21/600455421.db2.gz YUJHDQRABKYSAS-GFCCVEGCSA-N -1 0 342.370 3.984 20 0 EHADRM CCOc1cc(C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)ccc1C ZINC000737193438 600456388 /nfs/dbraw/zinc/45/63/88/600456388.db2.gz RBNPOGDYEMYIID-INIZCTEOSA-N -1 0 332.327 3.516 20 0 EHADRM Cc1cc(NC(=O)N(C)[C@@H]2CCc3ccccc3C2)ccc1C(=O)[O-] ZINC000738438525 600456912 /nfs/dbraw/zinc/45/69/12/600456912.db2.gz XJERAHRWVOYYJX-QGZVFWFLSA-N -1 0 338.407 3.714 20 0 EHADRM O=C([O-])c1cccc(NC(=O)NC2(c3ccc(Cl)cc3)CC2)c1 ZINC000739480941 600466172 /nfs/dbraw/zinc/46/61/72/600466172.db2.gz WSQPWYKPXUIWQK-UHFFFAOYSA-N -1 0 330.771 3.849 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NC2(c3ccc(Cl)cc3)CC2)c(F)c1 ZINC000739466720 600470516 /nfs/dbraw/zinc/47/05/16/600470516.db2.gz HLDAUAHGRFMSEU-UHFFFAOYSA-N -1 0 348.761 3.988 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)Nc2ccccc2-c2cccs2)C1 ZINC000263513165 600473556 /nfs/dbraw/zinc/47/35/56/600473556.db2.gz YQINKZMVIWZKPG-GFCCVEGCSA-N -1 0 330.409 3.744 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1F ZINC000736913605 600475226 /nfs/dbraw/zinc/47/52/26/600475226.db2.gz DLOIADMEJQMCFT-OAHLLOKOSA-N -1 0 334.322 3.936 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)CC2CCC(c3ccccc3)CC2)o1 ZINC000262177919 600475966 /nfs/dbraw/zinc/47/59/66/600475966.db2.gz RPXIURWQYFTKNL-UHFFFAOYSA-N -1 0 341.407 3.958 20 0 EHADRM Cc1ccc(C[C@H](C)N(C)C(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000738585302 600476076 /nfs/dbraw/zinc/47/60/76/600476076.db2.gz UYXHSTKZSQRSCE-ZDUSSCGKSA-N -1 0 344.386 3.927 20 0 EHADRM Cc1ncc(/C=C/C(=O)Oc2c(C(=O)[O-])ccc3ccccc32)s1 ZINC000738884325 600477704 /nfs/dbraw/zinc/47/77/04/600477704.db2.gz XNGRCTXIAHEDML-VQHVLOKHSA-N -1 0 339.372 3.922 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCOc2ccc(F)cc2)cc1Cl ZINC000238110670 600477945 /nfs/dbraw/zinc/47/79/45/600477945.db2.gz KDHHRSVQXNYMHR-UHFFFAOYSA-N -1 0 337.734 3.585 20 0 EHADRM Cc1ncc(/C=C\C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)s1 ZINC000492141595 600478500 /nfs/dbraw/zinc/47/85/00/600478500.db2.gz SJUGAAOGIUMYAN-ALCCZGGFSA-N -1 0 346.408 3.589 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2ccc(C3CCCCC3)cc2)o1 ZINC000554280214 600478841 /nfs/dbraw/zinc/47/88/41/600478841.db2.gz ZKVQHYOTVWKKHI-UHFFFAOYSA-N -1 0 327.380 3.956 20 0 EHADRM Cc1ccc(C[C@@H](C)N(C)C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000738585346 600478972 /nfs/dbraw/zinc/47/89/72/600478972.db2.gz WZCIZLBBFWFJPA-OAHLLOKOSA-N -1 0 340.423 3.717 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000238025799 600480434 /nfs/dbraw/zinc/48/04/34/600480434.db2.gz MHOAYJSSNOMHKH-UHFFFAOYSA-N -1 0 339.347 3.929 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)sc1C ZINC000237793274 600481304 /nfs/dbraw/zinc/48/13/04/600481304.db2.gz ULFVGPLJQXUYEB-UHFFFAOYSA-N -1 0 333.409 3.861 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)/C=C/c2cccc(F)c2)cc1 ZINC000238003285 600482264 /nfs/dbraw/zinc/48/22/64/600482264.db2.gz IWZZULKGPJMHLJ-IZZDOVSWSA-N -1 0 343.354 3.721 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)[C@H]2CCc3ccccc32)cc1 ZINC000263117717 600482332 /nfs/dbraw/zinc/48/23/32/600482332.db2.gz CIXHUXIKHZVFAV-SFHVURJKSA-N -1 0 339.391 3.599 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)Nc2ccc(OC3CCCCC3)cc2)C1 ZINC000630561827 600483508 /nfs/dbraw/zinc/48/35/08/600483508.db2.gz SAXHIBDBCULNEU-AWEZNQCLSA-N -1 0 346.427 3.727 20 0 EHADRM Cc1ccc(CC(=O)Nc2ccc(OCCCC(=O)[O-])cc2)cc1C ZINC000540667615 600483515 /nfs/dbraw/zinc/48/35/15/600483515.db2.gz FVKKLABHLPZQNO-UHFFFAOYSA-N -1 0 341.407 3.728 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)C1CC1 ZINC000262468978 600484088 /nfs/dbraw/zinc/48/40/88/600484088.db2.gz ZNCHOEKTNUUGDS-FQEVSTJZSA-N -1 0 337.419 3.893 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000263097541 600488310 /nfs/dbraw/zinc/48/83/10/600488310.db2.gz WDQNHQWCQIRICR-HZPDHXFCSA-N -1 0 332.444 3.670 20 0 EHADRM C[C@@H](OC(=O)c1ccccc1OC1CCC1)c1ccc(C(=O)[O-])o1 ZINC000736699044 600504781 /nfs/dbraw/zinc/50/47/81/600504781.db2.gz ZQPGTURGHYPZTN-LLVKDONJSA-N -1 0 330.336 3.827 20 0 EHADRM CC(C)N(Cc1ccccn1)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000736471528 600512093 /nfs/dbraw/zinc/51/20/93/600512093.db2.gz GISZRIFLKMQJRM-UHFFFAOYSA-N -1 0 342.399 3.638 20 0 EHADRM Cc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c(C)c1 ZINC000738597390 600512867 /nfs/dbraw/zinc/51/28/67/600512867.db2.gz IHSOHGQOPUHWGR-UHFFFAOYSA-N -1 0 332.787 3.977 20 0 EHADRM Cc1csc(-c2cccc(C(=O)NC3(C(=O)[O-])CCCCC3)c2)n1 ZINC000237670068 600522373 /nfs/dbraw/zinc/52/23/73/600522373.db2.gz RYNYRRXMQDDEAG-UHFFFAOYSA-N -1 0 344.436 3.636 20 0 EHADRM Cc1cccc([C@@H](C)C(=O)N(CCC(=O)[O-])Cc2ccccc2)c1 ZINC000675946505 600522424 /nfs/dbraw/zinc/52/24/24/600522424.db2.gz HMOJRKVIOKIMHW-MRXNPFEDSA-N -1 0 325.408 3.602 20 0 EHADRM CCN(C(=O)CCCOc1cccc(C)c1)c1ccccc1C(=O)[O-] ZINC000737051735 600524063 /nfs/dbraw/zinc/52/40/63/600524063.db2.gz CAABGZSJOSWGRO-UHFFFAOYSA-N -1 0 341.407 3.905 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)Nc2cc(Cl)ccc2Cl)o1 ZINC000094554713 600525577 /nfs/dbraw/zinc/52/55/77/600525577.db2.gz AEWWBIXVZULEND-UHFFFAOYSA-N -1 0 329.139 3.606 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)NCc1ccc(C(=O)[O-])o1)c1ccc(F)cc1 ZINC000736242344 600544808 /nfs/dbraw/zinc/54/48/08/600544808.db2.gz JZYOUZDRNZNANU-HNNXBMFYSA-N -1 0 348.374 3.704 20 0 EHADRM CCC(CC)[C@H](NC(=O)NCc1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000736895113 600544902 /nfs/dbraw/zinc/54/49/02/600544902.db2.gz MWASBEBQPYQKMZ-KRWDZBQOSA-N -1 0 344.411 3.955 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CCCC(C)(C)C1 ZINC000736488080 600546907 /nfs/dbraw/zinc/54/69/07/600546907.db2.gz PONLGWRWISPNKR-UHFFFAOYSA-N -1 0 334.416 3.826 20 0 EHADRM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000736782226 600552945 /nfs/dbraw/zinc/55/29/45/600552945.db2.gz BXJMFLIXJRZLKI-QMTHXVAHSA-N -1 0 325.792 3.572 20 0 EHADRM O=C([O-])C1CCN(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC000261753385 600554916 /nfs/dbraw/zinc/55/49/16/600554916.db2.gz UYGQFCKRSOQOPD-UHFFFAOYSA-N -1 0 336.391 3.586 20 0 EHADRM O=C([O-])c1cc(NC(=O)Cc2c[nH]c3ccc(F)cc23)ccc1Cl ZINC000676001489 600569682 /nfs/dbraw/zinc/56/96/82/600569682.db2.gz KYFDWKPFFASIMZ-UHFFFAOYSA-N -1 0 346.745 3.840 20 0 EHADRM O=C([O-])c1ccc(OC(=O)C[C@@H]2OCCc3ccccc32)c(Cl)c1 ZINC000739223824 600569720 /nfs/dbraw/zinc/56/97/20/600569720.db2.gz AURXSZQDBVZILP-INIZCTEOSA-N -1 0 346.766 3.648 20 0 EHADRM COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1ccccc1NC(=O)[O-] ZINC000738073168 600569866 /nfs/dbraw/zinc/56/98/66/600569866.db2.gz CBUZZQXXUYGXMM-INIZCTEOSA-N -1 0 340.379 3.593 20 0 EHADRM CCc1[nH]c(C(=O)N2C[C@@H](c3ccccc3)C[C@H]2C)c(C)c1C(=O)[O-] ZINC000737240757 600580299 /nfs/dbraw/zinc/58/02/99/600580299.db2.gz IJRNGNRGZJDXQD-DOMZBBRYSA-N -1 0 340.423 3.602 20 0 EHADRM Cn1c(CCSCc2ccc(C(=O)[O-])cc2)nc2ccccc21 ZINC000739014368 600581050 /nfs/dbraw/zinc/58/10/50/600581050.db2.gz OXYWNGHRYYIRSH-UHFFFAOYSA-N -1 0 326.421 3.747 20 0 EHADRM C[C@H](CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)n1cccc1 ZINC000736548662 600583368 /nfs/dbraw/zinc/58/33/68/600583368.db2.gz DAVWLFRZLDZAOP-LLVKDONJSA-N -1 0 332.425 3.716 20 0 EHADRM CSCCCC(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC000738191354 600585201 /nfs/dbraw/zinc/58/52/01/600585201.db2.gz IDUJBXOBOUWZQX-UHFFFAOYSA-N -1 0 327.471 3.797 20 0 EHADRM C[C@H](CC(=O)[O-])SCC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000736550010 600585975 /nfs/dbraw/zinc/58/59/75/600585975.db2.gz BRHRNQLLMKWIHG-NWDGAFQWSA-N -1 0 339.482 3.500 20 0 EHADRM C/C(=C/C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1 ZINC000736116645 600591139 /nfs/dbraw/zinc/59/11/39/600591139.db2.gz CVMBROMRQKIIDV-MENFKHAKSA-N -1 0 327.355 3.513 20 0 EHADRM C[C@@H](CSC[C@@H](O)Cn1c2ccccc2c2ccccc21)C(=O)[O-] ZINC000736613011 600600427 /nfs/dbraw/zinc/60/04/27/600600427.db2.gz GIPFTAJFWVDLPT-KBPBESRZSA-N -1 0 343.448 3.609 20 0 EHADRM CC/C=C(/C)C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000736949041 600600662 /nfs/dbraw/zinc/60/06/62/600600662.db2.gz PPOYWOKECYSMFM-UBWHZCOUSA-N -1 0 325.408 3.556 20 0 EHADRM CCC(CC)C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000262870582 600601677 /nfs/dbraw/zinc/60/16/77/600601677.db2.gz XPCULGHQDPTJBZ-QGZVFWFLSA-N -1 0 327.424 3.636 20 0 EHADRM CCCCCC(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000236832529 600604373 /nfs/dbraw/zinc/60/43/73/600604373.db2.gz RXPGBDOUVZMHHD-GOSISDBHSA-N -1 0 327.424 3.780 20 0 EHADRM O=C([O-])CN(C(=O)c1cc2c(s1)CCCCC2)c1ccccc1 ZINC000336864384 600605082 /nfs/dbraw/zinc/60/50/82/600605082.db2.gz NKFQOMRYPAEMPM-UHFFFAOYSA-N -1 0 329.421 3.748 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ccccc1OCc1cccc(Cl)c1 ZINC000561697309 600608083 /nfs/dbraw/zinc/60/80/83/600608083.db2.gz XQXLXWQXNUIBIO-ZIAGYGMSSA-N -1 0 345.782 3.578 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OCc1nc(-c2ccsc2)no1 ZINC000315406000 600612589 /nfs/dbraw/zinc/61/25/89/600612589.db2.gz VKRITJUVUFKTBU-UHFFFAOYSA-N -1 0 336.756 3.729 20 0 EHADRM C[C@H](CC(=O)Nc1cccc(CSCC(=O)[O-])c1)c1cccnc1 ZINC000736548348 600616996 /nfs/dbraw/zinc/61/69/96/600616996.db2.gz KVQLRLSGHKOARD-CYBMUJFWSA-N -1 0 344.436 3.532 20 0 EHADRM CC(C)(C)c1ccc(CCCC(=O)N[C@@](C)(C(=O)[O-])C2CC2)cc1 ZINC000236583375 600617862 /nfs/dbraw/zinc/61/78/62/600617862.db2.gz QGTHKRNBGMLXON-HXUWFJFHSA-N -1 0 331.456 3.676 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)[C@@H](Cc1ccccc1)C(C)C ZINC000738964691 600618658 /nfs/dbraw/zinc/61/86/58/600618658.db2.gz VUNOQXGUHRIIHO-INIZCTEOSA-N -1 0 330.380 3.844 20 0 EHADRM C[C@H]1CCC[C@H](OCC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC000736777011 600623444 /nfs/dbraw/zinc/62/34/44/600623444.db2.gz UOOMTAOCRGNYJU-HZMBPMFUSA-N -1 0 325.792 3.572 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)NCCc2cc3ccccc3o2)c1 ZINC000740042993 600625180 /nfs/dbraw/zinc/62/51/80/600625180.db2.gz NNGMUZNBMQMDTA-UHFFFAOYSA-N -1 0 339.351 3.887 20 0 EHADRM Cc1cc(OCC(=O)Nc2ccccc2C(C)C)c(C(=O)[O-])s1 ZINC000389942137 600638969 /nfs/dbraw/zinc/63/89/69/600638969.db2.gz LSGBAFVGHLTQAN-UHFFFAOYSA-N -1 0 333.409 3.896 20 0 EHADRM Cc1cc(OCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)c(C(=O)[O-])s1 ZINC000738464262 600639949 /nfs/dbraw/zinc/63/99/49/600639949.db2.gz DXMUNEUYXKNGSW-ZDUSSCGKSA-N -1 0 347.436 3.628 20 0 EHADRM Cc1cc(C)c(C(=O)CCCC(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c(C)c1 ZINC000738353462 600643747 /nfs/dbraw/zinc/64/37/47/600643747.db2.gz YKTOQISBJFQHST-SFHVURJKSA-N -1 0 347.455 3.580 20 0 EHADRM CCN(C(=O)[C@@H]1CSc2ccccc21)c1ccccc1C(=O)[O-] ZINC000737052069 600646810 /nfs/dbraw/zinc/64/68/10/600646810.db2.gz FXFBLODDGRNSBF-CQSZACIVSA-N -1 0 327.405 3.627 20 0 EHADRM CC/C(=C\C(=O)O[C@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000828550784 600660375 /nfs/dbraw/zinc/66/03/75/600660375.db2.gz YGFMFADEACMZON-HHNLSAEISA-N -1 0 328.339 3.988 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccc(Oc3ccncc3)cc2)C1 ZINC000191579232 600662086 /nfs/dbraw/zinc/66/20/86/600662086.db2.gz XLVSLNDQPUBZHY-KBPBESRZSA-N -1 0 340.379 3.703 20 0 EHADRM O=C([O-])C[C@H]1CSCCN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000238042704 600665172 /nfs/dbraw/zinc/66/51/72/600665172.db2.gz LCDWKBIUPIMYSZ-KRWDZBQOSA-N -1 0 347.480 3.767 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@H]2CCCC[C@@H]2Cc2ccccc2)C1 ZINC000498641548 600666679 /nfs/dbraw/zinc/66/66/79/600666679.db2.gz DBZNABWWBSOHKL-HCXYKTFWSA-N -1 0 343.467 3.795 20 0 EHADRM CC(C)c1ccc(CCC(=O)Oc2ccccc2CC(=O)[O-])cc1 ZINC000736512353 600675067 /nfs/dbraw/zinc/67/50/67/600675067.db2.gz JTOQDLVLLQSGDL-UHFFFAOYSA-N -1 0 326.392 3.975 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000832976945 600677990 /nfs/dbraw/zinc/67/79/90/600677990.db2.gz JHVRHSCARXMLCQ-UGSOOPFHSA-N -1 0 330.355 3.997 20 0 EHADRM O=C([O-])c1cc(NCCC(F)(F)F)c(Br)cc1F ZINC000740089411 600679478 /nfs/dbraw/zinc/67/94/78/600679478.db2.gz UFPXJHBTFGLNCM-UHFFFAOYSA-N -1 0 330.075 3.651 20 0 EHADRM CC(C)Oc1cccc(Cc2nc(-c3cccc(C(=O)[O-])c3)no2)c1 ZINC000827058502 600693794 /nfs/dbraw/zinc/69/37/94/600693794.db2.gz GZDTXGYKNALCBJ-UHFFFAOYSA-N -1 0 338.363 3.813 20 0 EHADRM C[C@H](OC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)c1ccc(C(=O)[O-])o1 ZINC000827816959 600695823 /nfs/dbraw/zinc/69/58/23/600695823.db2.gz FHRXVXQKJRXCJZ-PTOFAABTSA-N -1 0 336.290 3.664 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)cc1 ZINC000833314345 600696557 /nfs/dbraw/zinc/69/65/57/600696557.db2.gz HXCDDIRPTBWHSX-UONOGXRCSA-N -1 0 332.302 3.510 20 0 EHADRM Cn1cc(Cc2nc(-c3cccc(C(=O)[O-])c3)no2)c2ccccc21 ZINC000833045521 600696763 /nfs/dbraw/zinc/69/67/63/600696763.db2.gz AWXDIOTWTKDBGQ-UHFFFAOYSA-N -1 0 333.347 3.517 20 0 EHADRM O=C([O-])c1cccc(-c2noc([C@H]3C[C@]34CCc3ccccc34)n2)c1 ZINC000833327875 600697162 /nfs/dbraw/zinc/69/71/62/600697162.db2.gz JUXVRBKFUVQVTN-UZLBHIALSA-N -1 0 332.359 3.806 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cc2cccc(F)c2o1)c1ccccc1F ZINC000833352819 600699547 /nfs/dbraw/zinc/69/95/47/600699547.db2.gz ZUGOLRYFETVJDM-HNNXBMFYSA-N -1 0 332.258 3.694 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cc2cccc(F)c2o1)c1ccc(F)cc1 ZINC000833350918 600699556 /nfs/dbraw/zinc/69/95/56/600699556.db2.gz MRYPSOAGNVTYAQ-HNNXBMFYSA-N -1 0 332.258 3.694 20 0 EHADRM CN(C)c1ccc([C@@H]2C[C@H]2c2nc(-c3cccc(C(=O)[O-])c3)no2)cc1 ZINC000830634758 600700069 /nfs/dbraw/zinc/70/00/69/600700069.db2.gz AKRJFYNXULQGDZ-DLBZAZTESA-N -1 0 349.390 3.772 20 0 EHADRM O=C([O-])c1cccc(-c2noc([C@H]3C[C@H]3c3ccc(F)c(F)c3)n2)c1 ZINC000833327934 600700863 /nfs/dbraw/zinc/70/08/63/600700863.db2.gz MPUYBRDCXATNQM-STQMWFEESA-N -1 0 342.301 3.984 20 0 EHADRM C[C@H](C(=O)OCCOc1cccc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC000826065185 600701528 /nfs/dbraw/zinc/70/15/28/600701528.db2.gz WBGQSPRUTCTEFS-LBPRGKRZSA-N -1 0 348.782 3.764 20 0 EHADRM CC(C)[C@H](OC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000826717265 600703754 /nfs/dbraw/zinc/70/37/54/600703754.db2.gz PMOSBBTWPWYWAX-AVGNSLFASA-N -1 0 331.195 3.749 20 0 EHADRM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000832855969 600704194 /nfs/dbraw/zinc/70/41/94/600704194.db2.gz KNDVAMDXZDJQIH-OAHLLOKOSA-N -1 0 346.471 3.778 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)[C@@H]1C[C@]12CCc1ccccc12)c1ccccc1 ZINC000249505381 600707304 /nfs/dbraw/zinc/70/73/04/600707304.db2.gz HQEMEDHDXMENOC-IPJJNNNSSA-N -1 0 349.430 3.613 20 0 EHADRM C[C@@H](OC(=O)c1ccc(-c2ccccc2)n1C)c1ccc(C(=O)[O-])o1 ZINC000827851718 600708336 /nfs/dbraw/zinc/70/83/36/600708336.db2.gz CPILFNODPFOAEG-GFCCVEGCSA-N -1 0 339.347 3.901 20 0 EHADRM C/C(=C/C(=O)O[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C)C(C)(C)C ZINC000825723968 600723303 /nfs/dbraw/zinc/72/33/03/600723303.db2.gz FVRIKGAFINFRQZ-SUIFULHWSA-N -1 0 347.411 3.556 20 0 EHADRM C[C@@H](C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl)C(F)(F)F ZINC000826061235 600725377 /nfs/dbraw/zinc/72/53/77/600725377.db2.gz GVSVJMAVPPFKHK-CDUCUWFYSA-N -1 0 345.100 3.861 20 0 EHADRM O=C([O-])[C@H](Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccccc1F ZINC000833169629 600737524 /nfs/dbraw/zinc/73/75/24/600737524.db2.gz LGNHXLRAILLKJS-MAUKXSAKSA-N -1 0 345.370 3.621 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000833025669 600738061 /nfs/dbraw/zinc/73/80/61/600738061.db2.gz QJFKQTGQIFGIGM-OXQOHEQNSA-N -1 0 340.375 3.624 20 0 EHADRM O=C([O-])c1ccc(-c2nc(COC(=O)C3CC=CC3)cs2)cc1 ZINC000740098935 600739284 /nfs/dbraw/zinc/73/92/84/600739284.db2.gz QDKSTQQASHHKCO-UHFFFAOYSA-N -1 0 329.377 3.518 20 0 EHADRM CCO[C@H]1CCCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000652394858 600742469 /nfs/dbraw/zinc/74/24/69/600742469.db2.gz KJBFMTUVMDFYLI-FZMZJTMJSA-N -1 0 332.227 3.620 20 0 EHADRM O=C([O-])[C@@H](NCc1ccccc1Br)c1ccccc1F ZINC000426834608 600744163 /nfs/dbraw/zinc/74/41/63/600744163.db2.gz OMIMSZNRXRVFGI-AWEZNQCLSA-N -1 0 338.176 3.504 20 0 EHADRM Cc1cc(C)cc(CCNC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)c1 ZINC000738221988 600745323 /nfs/dbraw/zinc/74/53/23/600745323.db2.gz KIWNMRQEEKTBDI-UHFFFAOYSA-N -1 0 341.411 3.782 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)NC2CCC(C(=O)[O-])CC2)c1C ZINC000263507588 600747909 /nfs/dbraw/zinc/74/79/09/600747909.db2.gz XPZGCLVLDILCCC-HTWSVDAQSA-N -1 0 344.455 3.793 20 0 EHADRM Cc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000263224941 600749438 /nfs/dbraw/zinc/74/94/38/600749438.db2.gz LNFQZFWJFHSKLO-DOTOQJQBSA-N -1 0 332.444 3.588 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)c1cccc(Cl)c1Cl ZINC000263230035 600751727 /nfs/dbraw/zinc/75/17/27/600751727.db2.gz MGXGWCFPELKNAN-UWVGGRQHSA-N -1 0 345.226 3.561 20 0 EHADRM COc1cccc(F)c1[C@@H](C)N[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000832558792 600755751 /nfs/dbraw/zinc/75/57/51/600755751.db2.gz QFEJBRMOQXQJHJ-HWPZZCPQSA-N -1 0 337.778 3.964 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1 ZINC000833287030 600774217 /nfs/dbraw/zinc/77/42/17/600774217.db2.gz BDHKAYKZACTRBC-ZMSDIMECSA-N -1 0 345.443 3.587 20 0 EHADRM CC(C)(CC(=O)[O-])NC(=O)c1ccc(OCC2CCCCC2)cc1 ZINC000736311353 600774364 /nfs/dbraw/zinc/77/43/64/600774364.db2.gz QGVYBDWBUDGOOP-UHFFFAOYSA-N -1 0 333.428 3.629 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000537404409 600784344 /nfs/dbraw/zinc/78/43/44/600784344.db2.gz XISHVLXPXQISNP-DYESRHJHSA-N -1 0 335.403 3.926 20 0 EHADRM Cc1ccc(NC(=O)CCNC(=O)[O-])cc1OCC1CCCCC1 ZINC000738279407 600784559 /nfs/dbraw/zinc/78/45/59/600784559.db2.gz HZPOWSIAZXVXFP-UHFFFAOYSA-N -1 0 334.416 3.550 20 0 EHADRM Cc1ccc(CC(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)cc1C ZINC000776672579 600799086 /nfs/dbraw/zinc/79/90/86/600799086.db2.gz KUUCDQIPVAIKAV-KRWDZBQOSA-N -1 0 345.826 3.832 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc2c(c1)CCC2)c1cccc(Cl)c1 ZINC000776672447 600799969 /nfs/dbraw/zinc/79/99/69/600799969.db2.gz GFYDXHGCOPUWDJ-QGZVFWFLSA-N -1 0 343.810 3.775 20 0 EHADRM CCN(CC)C(=O)c1cccc(OCc2ccc(F)cc2C(=O)[O-])c1 ZINC000829658592 600805524 /nfs/dbraw/zinc/80/55/24/600805524.db2.gz KDFBLOMWGYSRGO-UHFFFAOYSA-N -1 0 345.370 3.585 20 0 EHADRM CCCCSCC(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000776678721 600807059 /nfs/dbraw/zinc/80/70/59/600807059.db2.gz RSIGXPVBKXRDBU-ZDUSSCGKSA-N -1 0 329.849 3.505 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CC[C@H]1c1cccc(F)c1 ZINC000832915774 600812740 /nfs/dbraw/zinc/81/27/40/600812740.db2.gz JGRHXGZEIWJGDO-INIZCTEOSA-N -1 0 328.343 3.811 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2cccc(C(=O)[O-])c2)[C@@H](c2ccco2)C1 ZINC000828278991 600813077 /nfs/dbraw/zinc/81/30/77/600813077.db2.gz UMWZSPFJAYNLFG-SWLSCSKDSA-N -1 0 328.368 3.983 20 0 EHADRM COc1ccccc1[C@]1(C)C[C@H]1Nc1nc(Cl)c(C(=O)[O-])s1 ZINC000832601360 600816342 /nfs/dbraw/zinc/81/63/42/600816342.db2.gz JJDNUWGKYFQXBU-BMIGLBTASA-N -1 0 338.816 3.645 20 0 EHADRM Cc1nc2sc3c(c2c(N2CCC[C@H](C(=O)[O-])C2)n1)CCCCC3 ZINC000347621162 600823720 /nfs/dbraw/zinc/82/37/20/600823720.db2.gz NLEHVPOAFGCQJY-LBPRGKRZSA-N -1 0 345.468 3.570 20 0 EHADRM Cc1cccc2c(CCC(=O)NC3(C(=O)[O-])CCCCCC3)c[nH]c21 ZINC000431973092 600830392 /nfs/dbraw/zinc/83/03/92/600830392.db2.gz MQPFMFZXCYBXOA-UHFFFAOYSA-N -1 0 342.439 3.703 20 0 EHADRM CCCC[C@H](Sc1n[nH]c(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000829296122 600833504 /nfs/dbraw/zinc/83/35/04/600833504.db2.gz NUTJZDDTQFWHOJ-NSHDSACASA-N -1 0 325.821 3.861 20 0 EHADRM C[C@@H]1CCC[C@@H](C(=O)Oc2ccc(Br)cc2C(=O)[O-])C1 ZINC000736777144 600835806 /nfs/dbraw/zinc/83/58/06/600835806.db2.gz YVAAMRIMTYWAPV-NXEZZACHSA-N -1 0 341.201 3.879 20 0 EHADRM CC[C@@H]1C[C@H](C)CN1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000829074785 600842907 /nfs/dbraw/zinc/84/29/07/600842907.db2.gz JEKAUWIQFXGIOA-GXSJLCMTSA-N -1 0 342.342 3.639 20 0 EHADRM O=C([O-])[C@H](Sc1nnc(CCc2ccccc2)o1)c1ccccc1 ZINC000833169643 600846452 /nfs/dbraw/zinc/84/64/52/600846452.db2.gz LNBCACCEWRWEHU-MRXNPFEDSA-N -1 0 340.404 3.773 20 0 EHADRM CC(C)(C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21)c1ccc(F)cc1 ZINC000736225084 600852682 /nfs/dbraw/zinc/85/26/82/600852682.db2.gz VVDPHYSMABTENB-ZDUSSCGKSA-N -1 0 341.382 3.708 20 0 EHADRM C/C(=C\C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1)C(C)(C)C ZINC000767109537 600858990 /nfs/dbraw/zinc/85/89/90/600858990.db2.gz VOCMXMOZWPXCDM-FMIVXFBMSA-N -1 0 340.423 3.743 20 0 EHADRM CCOc1cc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)ccc1C ZINC000737183235 600859470 /nfs/dbraw/zinc/85/94/70/600859470.db2.gz VZGVNBLZJFKVAC-OAHLLOKOSA-N -1 0 339.391 3.612 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)c2ccc(-c3cnco3)cc2)c2ccccc21 ZINC000739647446 600862329 /nfs/dbraw/zinc/86/23/29/600862329.db2.gz WHJJKGLMAYVSQU-OAHLLOKOSA-N -1 0 348.358 3.560 20 0 EHADRM CC(C)Oc1ccc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000327129980 600862766 /nfs/dbraw/zinc/86/27/66/600862766.db2.gz ABHNHBRXZWBXIJ-OAHLLOKOSA-N -1 0 339.391 3.693 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)[C@H]2CCCc3ccccc32)c2ccccc21 ZINC000327514859 600863207 /nfs/dbraw/zinc/86/32/07/600863207.db2.gz HGABKPJRFVNMOC-QAPCUYQASA-N -1 0 335.403 3.712 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)c2ccc3c(c2)CCCC3)c2ccccc21 ZINC000327273074 600863218 /nfs/dbraw/zinc/86/32/18/600863218.db2.gz ZKFUTNSDWVCIPT-KRWDZBQOSA-N -1 0 335.403 3.784 20 0 EHADRM CC(C)C[C@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000736422850 600864714 /nfs/dbraw/zinc/86/47/14/600864714.db2.gz BKESWJUXRXVKBC-INIZCTEOSA-N -1 0 346.814 3.950 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000183953688 600868731 /nfs/dbraw/zinc/86/87/31/600868731.db2.gz OQCATLAZMGJTAH-UWVGGRQHSA-N -1 0 329.368 3.831 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)/C=C(\C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000828710457 600869084 /nfs/dbraw/zinc/86/90/84/600869084.db2.gz YDNBBPVBQNAACL-FTOUUFDHSA-N -1 0 343.345 3.724 20 0 EHADRM CC(C)Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000326635286 600870995 /nfs/dbraw/zinc/87/09/95/600870995.db2.gz RXGZPCRKCWCTLX-QGTPRVQTSA-N -1 0 331.456 3.953 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CCCC1CCCC1)c1cc(F)ccc1F ZINC000766962367 600873700 /nfs/dbraw/zinc/87/37/00/600873700.db2.gz XSKSFTIFYKKFRN-INIZCTEOSA-N -1 0 325.355 3.567 20 0 EHADRM COc1ccc(NC(=O)[C@@H](C)CCc2ccccc2F)c(C(=O)[O-])c1 ZINC000832389091 600875499 /nfs/dbraw/zinc/87/54/99/600875499.db2.gz QAZBVIMEYYAHQH-LBPRGKRZSA-N -1 0 345.370 3.740 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N2CCC(CCc3ccccc3)CC2)C1 ZINC000180110607 600875634 /nfs/dbraw/zinc/87/56/34/600875634.db2.gz BDFAUDOMQGZBOI-OALUTQOASA-N -1 0 343.467 3.749 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000261908403 600876654 /nfs/dbraw/zinc/87/66/54/600876654.db2.gz GCUBMGJGMGXUFR-KFNAQCHYSA-N -1 0 337.391 3.836 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 ZINC000391851457 600880241 /nfs/dbraw/zinc/88/02/41/600880241.db2.gz KPDVCTCNBRJIEL-UHFFFAOYSA-N -1 0 347.798 3.720 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C(F)(F)c2ccccc2)cc1 ZINC000736230111 600881340 /nfs/dbraw/zinc/88/13/40/600881340.db2.gz AUZKGKPBMQSUIP-UHFFFAOYSA-N -1 0 333.334 3.779 20 0 EHADRM CCCOc1ccc([C@H](C)NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000829528327 600885257 /nfs/dbraw/zinc/88/52/57/600885257.db2.gz VAFRLHRQOUHMPO-NUEKZKHPSA-N -1 0 333.428 3.544 20 0 EHADRM CC(C)Oc1ccc([C@H](C)NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000179980522 600885465 /nfs/dbraw/zinc/88/54/65/600885465.db2.gz RXYRCFQIQUMYJF-BPUTZDHNSA-N -1 0 333.428 3.542 20 0 EHADRM Cc1ccncc1C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000832984661 600895731 /nfs/dbraw/zinc/89/57/31/600895731.db2.gz CLCYKKCFMRDNOL-CYBMUJFWSA-N -1 0 340.162 3.680 20 0 EHADRM C[C@H]1CCC[C@@H](C(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)C1 ZINC000237743957 600902081 /nfs/dbraw/zinc/90/20/81/600902081.db2.gz PGWBRMGJMFLQLQ-QWHCGFSZSA-N -1 0 340.423 3.577 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccccc1C(F)(F)F ZINC000353960688 600908842 /nfs/dbraw/zinc/90/88/42/600908842.db2.gz QBMAQAZQQKWPSR-TUAOUCFPSA-N -1 0 343.345 3.774 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(F)c(Cl)c1 ZINC000179977734 600908867 /nfs/dbraw/zinc/90/88/67/600908867.db2.gz QFSPTBLZIHLARM-DLOVCJGASA-N -1 0 327.783 3.547 20 0 EHADRM CC(C)CN(Cc1ccccc1F)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000630227242 600915175 /nfs/dbraw/zinc/91/51/75/600915175.db2.gz JYWIQAMPPHCZGH-LSDHHAIUSA-N -1 0 335.419 3.701 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NC[C@H](CC(C)C)C(=O)[O-])c1 ZINC000738552434 600916741 /nfs/dbraw/zinc/91/67/41/600916741.db2.gz RYXHROLKMOOKGC-HOTGVXAUSA-N -1 0 349.471 3.749 20 0 EHADRM Cc1ccc(C[C@@H]2CCCN(C(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)C2)cc1 ZINC000516885839 600916873 /nfs/dbraw/zinc/91/68/73/600916873.db2.gz MEVMOQUPESZVQK-FHWLQOOXSA-N -1 0 343.467 3.667 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000610853217 600920786 /nfs/dbraw/zinc/92/07/86/600920786.db2.gz VEQIUNCBDYTHAG-GFCCVEGCSA-N -1 0 349.452 3.773 20 0 EHADRM CCC(CC)(NC(=O)c1ccc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC000342535928 600925050 /nfs/dbraw/zinc/92/50/50/600925050.db2.gz YBUMOWOZKGPDRQ-UHFFFAOYSA-N -1 0 335.787 3.973 20 0 EHADRM CCC(CC)(NC(=O)c1oc2ccccc2c1CSC)C(=O)[O-] ZINC000808518776 600926860 /nfs/dbraw/zinc/92/68/60/600926860.db2.gz HUBYCIPTBXONOJ-UHFFFAOYSA-N -1 0 335.425 3.669 20 0 EHADRM CC(C)(CNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccccc1Cl ZINC000179998702 600926977 /nfs/dbraw/zinc/92/69/77/600926977.db2.gz XEFOMVYEXLDVCH-OLZOCXBDSA-N -1 0 337.847 3.625 20 0 EHADRM Cc1ccc(NC(=O)C[C@H](C)C(=O)c2cccc(F)c2)c(C(=O)[O-])c1 ZINC000832942509 600931268 /nfs/dbraw/zinc/93/12/68/600931268.db2.gz FFTPMVDQEFFEQI-LBPRGKRZSA-N -1 0 343.354 3.680 20 0 EHADRM Cc1cccc([C@H]2CCCCN2C(=O)c2ccc(C(=O)[O-])cn2)c1C ZINC000190660277 600932672 /nfs/dbraw/zinc/93/26/72/600932672.db2.gz ZLKOULTWKOFVNX-GOSISDBHSA-N -1 0 338.407 3.764 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cc3c(cccc3F)[nH]2)cc1 ZINC000486342197 600933985 /nfs/dbraw/zinc/93/39/85/600933985.db2.gz BIPXAMXMYVRLGX-UHFFFAOYSA-N -1 0 340.354 3.922 20 0 EHADRM Cc1ccccc1C1CCN(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000180000316 600935799 /nfs/dbraw/zinc/93/57/99/600935799.db2.gz DVAVICRBRQJQOX-DLBZAZTESA-N -1 0 329.440 3.592 20 0 EHADRM Cc1c(Br)cccc1C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC000832849771 600939080 /nfs/dbraw/zinc/93/90/80/600939080.db2.gz SDJIPWZVHPPPTB-UHFFFAOYSA-N -1 0 349.180 3.604 20 0 EHADRM O=C([O-])CCN(C(=O)[C@@H]1CCCc2ccccc21)c1cccc(F)c1 ZINC000739712954 600939791 /nfs/dbraw/zinc/93/97/91/600939791.db2.gz UFYZYKADYLYSMN-GOSISDBHSA-N -1 0 341.382 3.754 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OC(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000833299912 600940624 /nfs/dbraw/zinc/94/06/24/600940624.db2.gz XGJHWPJVBGFWOA-KXBFYZLASA-N -1 0 342.778 3.848 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OC(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000833299907 600940753 /nfs/dbraw/zinc/94/07/53/600940753.db2.gz XGJHWPJVBGFWOA-DNVCBOLYSA-N -1 0 342.778 3.848 20 0 EHADRM Cc1oc(COC(=O)[C@H](C)CCc2ccccc2F)cc1C(=O)[O-] ZINC000833027374 600942208 /nfs/dbraw/zinc/94/22/08/600942208.db2.gz SQYPCGHHIDTHLQ-LLVKDONJSA-N -1 0 334.343 3.737 20 0 EHADRM O=C([O-])c1cccc(COC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)c1 ZINC000833329067 600945119 /nfs/dbraw/zinc/94/51/19/600945119.db2.gz VHRSUNXZWAQRLS-UONOGXRCSA-N -1 0 332.302 3.510 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N(Cc2ccccc2)CC(F)F)cc1 ZINC000238061136 600952647 /nfs/dbraw/zinc/95/26/47/600952647.db2.gz MVAINBCFRIIZJN-UHFFFAOYSA-N -1 0 347.361 3.611 20 0 EHADRM O=C([O-])C[C@@H]1CN(Cc2cc3ccccc3[nH]c2=O)c2ccccc21 ZINC000739653189 600960528 /nfs/dbraw/zinc/96/05/28/600960528.db2.gz JBWNXMAUEMJHBL-CQSZACIVSA-N -1 0 334.375 3.519 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)N(CC(=O)[O-])c3ccccc3)c2c1 ZINC000832958987 600961995 /nfs/dbraw/zinc/96/19/95/600961995.db2.gz ONMZHTUJYVMPNM-UHFFFAOYSA-N -1 0 336.391 3.527 20 0 EHADRM O=C([O-])C[C@H]1CN(CCCOCCc2ccccc2)c2ccccc21 ZINC000739654843 600963385 /nfs/dbraw/zinc/96/33/85/600963385.db2.gz YDOJPHDSRYNDSD-SFHVURJKSA-N -1 0 339.435 3.714 20 0 EHADRM Cc1ccc([C@H](C)C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)o1 ZINC000832925276 600967263 /nfs/dbraw/zinc/96/72/63/600967263.db2.gz YQMSXDMKQHRTFE-JTQLQIEISA-N -1 0 333.409 3.969 20 0 EHADRM Cc1oc(CS[C@H]2CCN(c3ccc(C)cc3)C2=O)cc1C(=O)[O-] ZINC000832936987 600968781 /nfs/dbraw/zinc/96/87/81/600968781.db2.gz YKNHEDQHEOZFQP-INIZCTEOSA-N -1 0 345.420 3.633 20 0 EHADRM C[C@H]1CC[C@@H](CCC(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])O1 ZINC000828221850 600970211 /nfs/dbraw/zinc/97/02/11/600970211.db2.gz ZQUYBXLCGROGIE-ONGXEEELSA-N -1 0 345.317 3.690 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000833338894 600971108 /nfs/dbraw/zinc/97/11/08/600971108.db2.gz PZYWYIBFINCXST-RDTXWAMCSA-N -1 0 327.405 3.679 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(OC)cc1C(=O)[O-] ZINC000829009327 600972561 /nfs/dbraw/zinc/97/25/61/600972561.db2.gz BHYAKNZBBLUNPG-QEORTHHSSA-N -1 0 349.427 3.706 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000249609039 600973357 /nfs/dbraw/zinc/97/33/57/600973357.db2.gz RUVNEYSACDJYER-VMUDFCTBSA-N -1 0 333.403 3.626 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000245652701 600973373 /nfs/dbraw/zinc/97/33/73/600973373.db2.gz CXXCFFNSGAYSEZ-RCCFBDPRSA-N -1 0 331.456 3.666 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1cc(OC)ccc1C(=O)[O-] ZINC000829009776 600973766 /nfs/dbraw/zinc/97/37/66/600973766.db2.gz PSWDKRRNGVIFEM-JDFRZJQESA-N -1 0 349.427 3.706 20 0 EHADRM CCC(CC)(CNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000498654308 600975494 /nfs/dbraw/zinc/97/54/94/600975494.db2.gz UVFBAXAYMNEEOM-HOTGVXAUSA-N -1 0 331.456 3.752 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)o1 ZINC000245651649 600977672 /nfs/dbraw/zinc/97/76/72/600977672.db2.gz CSLPXJMTTGZOJG-OEAJRASXSA-N -1 0 333.428 3.779 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](CC(C)C)NC(=O)[O-] ZINC000832922618 600982949 /nfs/dbraw/zinc/98/29/49/600982949.db2.gz BSHUZXMSSOXIQR-GFCCVEGCSA-N -1 0 332.322 3.635 20 0 EHADRM O=C([O-])[C@H](c1ccccc1F)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000571419059 600989298 /nfs/dbraw/zinc/98/92/98/600989298.db2.gz RXSZHIIIDXFQIY-IRXDYDNUSA-N -1 0 349.789 3.678 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000327417761 600994683 /nfs/dbraw/zinc/99/46/83/600994683.db2.gz JGXSIGWRSFGFAA-UHFFFAOYSA-N -1 0 343.339 3.601 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Nc1cccc(F)c1)c1cccc(Cl)c1 ZINC000833199046 600995142 /nfs/dbraw/zinc/99/51/42/600995142.db2.gz OLBOMCXUTDIXEF-AWEZNQCLSA-N -1 0 336.750 3.817 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)N(C)c3ccccc3C(=O)[O-])c2c1 ZINC000832958832 600995870 /nfs/dbraw/zinc/99/58/70/600995870.db2.gz LWHLBPWXMYJTRC-UHFFFAOYSA-N -1 0 336.391 3.770 20 0 EHADRM Cc1cc(C)c(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])c(Cl)c1 ZINC000644169454 600998240 /nfs/dbraw/zinc/99/82/40/600998240.db2.gz UUTJGIVSKOXESF-LBPRGKRZSA-N -1 0 326.824 3.825 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)[C@H]1CCSc2ccccc21)c1ccccc1 ZINC000738563020 600998988 /nfs/dbraw/zinc/99/89/88/600998988.db2.gz FSZJHYVIJVTYRL-JKSUJKDBSA-N -1 0 341.432 3.598 20 0 EHADRM CCc1[nH]c(C(=O)Nc2c(F)cccc2NC2CC2)c(C)c1C(=O)[O-] ZINC000830195811 601001219 /nfs/dbraw/zinc/00/12/19/601001219.db2.gz BWYBSCGGFCCPFS-UHFFFAOYSA-N -1 0 345.374 3.549 20 0 EHADRM Cc1[nH]c(C(=O)Nc2cc(Cl)ccc2NC2CC2)c(C)c1C(=O)[O-] ZINC000832846479 601001951 /nfs/dbraw/zinc/00/19/51/601001951.db2.gz OYCWFRYXNHCLHT-UHFFFAOYSA-N -1 0 347.802 3.810 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2CCSc3ccccc32)c(F)cc1F ZINC000740082456 601002069 /nfs/dbraw/zinc/00/20/69/601002069.db2.gz YSDOMVWKZSQJHQ-SNVBAGLBSA-N -1 0 349.358 3.881 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)[C@@H](C)c1ccccc1C(F)(F)F ZINC000736432471 601003689 /nfs/dbraw/zinc/00/36/89/601003689.db2.gz CUXZHLZRPAKDKC-LBPRGKRZSA-N -1 0 345.361 3.768 20 0 EHADRM COCc1ccccc1NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000393139553 601005028 /nfs/dbraw/zinc/00/50/28/601005028.db2.gz CRLNERZROIKQNJ-UHFFFAOYSA-N -1 0 342.395 3.839 20 0 EHADRM C[C@H](CNC(=O)Nc1cccc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC000827493729 601008619 /nfs/dbraw/zinc/00/86/19/601008619.db2.gz YMTABHJZOAYYTC-SNVBAGLBSA-N -1 0 334.322 3.588 20 0 EHADRM CC(C)(C(=O)NCc1ccc(C(=O)[O-])o1)c1ccc2ccccc2c1 ZINC000736223811 601012141 /nfs/dbraw/zinc/01/21/41/601012141.db2.gz RJCWDESDDZKSLY-UHFFFAOYSA-N -1 0 337.375 3.725 20 0 EHADRM C/C(=C/C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c1ccccc1C(F)(F)F ZINC000736122383 601013199 /nfs/dbraw/zinc/01/31/99/601013199.db2.gz ZRNLGJXWXIBELU-CMUBDUJZSA-N -1 0 343.345 3.724 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@H]2C[C@H]2Cc2ccccc2)ccc1Cl ZINC000833158636 601014273 /nfs/dbraw/zinc/01/42/73/601014273.db2.gz LTLPVMNEOQAYPJ-WBMJQRKESA-N -1 0 344.798 3.791 20 0 EHADRM Cc1ccccc1O[C@H](C)CNC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000832978785 601015957 /nfs/dbraw/zinc/01/59/57/601015957.db2.gz BXOZDMMSIKFSHC-CYBMUJFWSA-N -1 0 342.395 3.591 20 0 EHADRM CCC[C@@H]1[C@@H](C)CCCN1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000829246194 601018700 /nfs/dbraw/zinc/01/87/00/601018700.db2.gz WLTBILFZVYQRNG-XJKSGUPXSA-N -1 0 334.416 3.583 20 0 EHADRM Cc1ccc(CCC(=O)Oc2ccccc2CC(=O)[O-])cc1Cl ZINC000738589649 601021916 /nfs/dbraw/zinc/02/19/16/601021916.db2.gz RLTXFIKQUKRBCW-UHFFFAOYSA-N -1 0 332.783 3.814 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)C(=O)Oc2ccccc2CC(=O)[O-])c1 ZINC000736703312 601021934 /nfs/dbraw/zinc/02/19/34/601021934.db2.gz CPKPADWSQWFFSJ-AWEZNQCLSA-N -1 0 342.391 3.810 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000739892243 601023249 /nfs/dbraw/zinc/02/32/49/601023249.db2.gz MZCUPKFVQYPQRG-UHFFFAOYSA-N -1 0 343.766 3.597 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)N[C@@H]2C[C@H]2Cc2ccccc2)c1 ZINC000833289226 601024357 /nfs/dbraw/zinc/02/43/57/601024357.db2.gz QJBUSJPRXHMJEC-CZUORRHYSA-N -1 0 325.368 3.529 20 0 EHADRM C[C@H](CC(=O)N(CCC(=O)[O-])c1cccc(F)c1)c1ccc(F)cc1 ZINC000736546491 601028211 /nfs/dbraw/zinc/02/82/11/601028211.db2.gz ZRSKVFFRIZBNIB-CYBMUJFWSA-N -1 0 347.361 3.966 20 0 EHADRM CCC(CC)c1cc(CNC(=O)CCc2ccc(C(=O)[O-])cc2)on1 ZINC000236720597 601030157 /nfs/dbraw/zinc/03/01/57/601030157.db2.gz TYIMEUOOILMMKE-UHFFFAOYSA-N -1 0 344.411 3.525 20 0 EHADRM C[C@@H]1C[C@@H]1[C@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000736766927 601034097 /nfs/dbraw/zinc/03/40/97/601034097.db2.gz WYEMOMWHDAPHOH-FUEDEBDSSA-N -1 0 344.798 3.560 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N2CCC(C(F)(F)F)CC2)ccc1F ZINC000833282426 601037982 /nfs/dbraw/zinc/03/79/82/601037982.db2.gz GUWAFXYTCXBQEO-UHFFFAOYSA-N -1 0 349.284 3.722 20 0 EHADRM Cc1cccc(O[C@H](C)CNC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000832972844 601040719 /nfs/dbraw/zinc/04/07/19/601040719.db2.gz KIQQOCPUZRLKLM-CQSZACIVSA-N -1 0 342.395 3.591 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1ccc(N2CCCCC2)cc1 ZINC000833161947 601057585 /nfs/dbraw/zinc/05/75/85/601057585.db2.gz HFKRFVSSVGITDH-UHFFFAOYSA-N -1 0 330.409 3.689 20 0 EHADRM Cc1ccc(NC(=O)c2ccc3nc(C)c(C)nc3c2)cc1C(=O)[O-] ZINC000532263821 601064327 /nfs/dbraw/zinc/06/43/27/601064327.db2.gz MNVQQIUFWZWCEN-UHFFFAOYSA-N -1 0 335.363 3.506 20 0 EHADRM C[C@@H](CCOc1ccccc1)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000827417864 601065593 /nfs/dbraw/zinc/06/55/93/601065593.db2.gz QEODQLISXRKVMU-LBPRGKRZSA-N -1 0 346.358 3.959 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])s2)CC[C@@H]1c1ccccc1 ZINC000237477891 601066138 /nfs/dbraw/zinc/06/61/38/601066138.db2.gz GPJFNFAMPQOHSE-OCCSQVGLSA-N -1 0 329.421 3.712 20 0 EHADRM Cc1[nH]c(C(=O)NC2CC(c3cccc(Cl)c3)C2)c(C)c1C(=O)[O-] ZINC000738238267 601066153 /nfs/dbraw/zinc/06/61/53/601066153.db2.gz LHJHKLLOWPBOIQ-UHFFFAOYSA-N -1 0 346.814 3.659 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1cc2c(s1)CCCCC2)c1ccccc1 ZINC000325092282 601073952 /nfs/dbraw/zinc/07/39/52/601073952.db2.gz MJARILBVTRECAF-OAHLLOKOSA-N -1 0 343.448 3.615 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000316023026 601074572 /nfs/dbraw/zinc/07/45/72/601074572.db2.gz XXWUXNFLOSPCMX-GFCCVEGCSA-N -1 0 338.190 3.592 20 0 EHADRM CN(Cc1cc2ccccc2o1)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237213727 601076165 /nfs/dbraw/zinc/07/61/65/601076165.db2.gz GEEAOSIKUKYWBD-UHFFFAOYSA-N -1 0 337.375 3.722 20 0 EHADRM Cc1ccc([C@H](C)C(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])o1 ZINC000832923022 601080670 /nfs/dbraw/zinc/08/06/70/601080670.db2.gz FRBFPVRNTZLIOY-CWRNSKLLSA-N -1 0 333.428 3.574 20 0 EHADRM COc1ccc(NC(=O)c2ccc(F)c(CSC)c2)c(C(=O)[O-])c1 ZINC000342564258 601081956 /nfs/dbraw/zinc/08/19/56/601081956.db2.gz KAVXMOLCSVHJRT-UHFFFAOYSA-N -1 0 349.383 3.648 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1cnc(C2CC2)s1 ZINC000621581614 601082105 /nfs/dbraw/zinc/08/21/05/601082105.db2.gz VJUHZMGIEUMUIO-KGLIPLIRSA-N -1 0 348.468 3.516 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)c1coc2ccccc12 ZINC000833178362 601084549 /nfs/dbraw/zinc/08/45/49/601084549.db2.gz GXZICDKGKDBLCA-YOEHRIQHSA-N -1 0 341.407 3.928 20 0 EHADRM CCc1ccc(C(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])s1 ZINC000830232204 601089381 /nfs/dbraw/zinc/08/93/81/601089381.db2.gz HYQXBRMFUVWJIC-HIFRSBDPSA-N -1 0 335.469 3.806 20 0 EHADRM CC(C)Cn1cc(NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cn1 ZINC000826917924 601101556 /nfs/dbraw/zinc/10/15/56/601101556.db2.gz OGFXDZMRIRQANR-UHFFFAOYSA-N -1 0 344.415 3.545 20 0 EHADRM CC(C)c1ccc(C(=O)[C@H](C)OC(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000827862041 601110867 /nfs/dbraw/zinc/11/08/67/601110867.db2.gz SOOUBVKCNJNUSQ-ZDUSSCGKSA-N -1 0 340.375 3.936 20 0 EHADRM CCN(C(=O)c1ccc(Cl)c(Cl)c1)c1ncc(C(=O)[O-])s1 ZINC000737059933 601112840 /nfs/dbraw/zinc/11/28/40/601112840.db2.gz WBCGYCCGHLLBHO-UHFFFAOYSA-N -1 0 345.207 3.815 20 0 EHADRM CCN(C(=O)c1ccc(C(C)(C)C)cc1)c1ncc(C(=O)[O-])s1 ZINC000737060098 601114015 /nfs/dbraw/zinc/11/40/15/601114015.db2.gz YGUNKTXBBPGLCF-UHFFFAOYSA-N -1 0 332.425 3.806 20 0 EHADRM CN(Cc1nc(C(F)(F)F)cs1)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000573259105 601115830 /nfs/dbraw/zinc/11/58/30/601115830.db2.gz HONVMRNKOFXORI-GFCCVEGCSA-N -1 0 348.321 3.559 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000827586341 601122467 /nfs/dbraw/zinc/12/24/67/601122467.db2.gz KSDDBVHEBYPMBJ-MEDUHNTESA-N -1 0 334.318 3.513 20 0 EHADRM Cc1ccc(NC(=O)N2CCC(OCCC(C)C)CC2)cc1C(=O)[O-] ZINC000832946437 601139796 /nfs/dbraw/zinc/13/97/96/601139796.db2.gz XMKILUVJEQCPST-UHFFFAOYSA-N -1 0 348.443 3.752 20 0 EHADRM CC(C)COc1ccc(C(=O)N(CC(=O)[O-])c2cccc(F)c2)cc1 ZINC000826900728 601141950 /nfs/dbraw/zinc/14/19/50/601141950.db2.gz RWWDZWYDTICZDT-UHFFFAOYSA-N -1 0 345.370 3.592 20 0 EHADRM Cc1ccc(NC(=O)N(Cc2cccs2)C2CC2)cc1C(=O)[O-] ZINC000320442663 601143541 /nfs/dbraw/zinc/14/35/41/601143541.db2.gz MJIOTQGWIZHBTK-UHFFFAOYSA-N -1 0 330.409 3.951 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Oc2ccc(N3CCCC3)cc2)c1 ZINC000833291397 601144105 /nfs/dbraw/zinc/14/41/05/601144105.db2.gz KVAURQHNVKXRBC-UHFFFAOYSA-N -1 0 326.352 3.596 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cccc(C(F)(F)F)c2F)ccc1F ZINC000391660962 601148924 /nfs/dbraw/zinc/14/89/24/601148924.db2.gz DDZJXQBKIAQRHA-UHFFFAOYSA-N -1 0 345.223 3.934 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000832992241 601148996 /nfs/dbraw/zinc/14/89/96/601148996.db2.gz DOOBDWUJCYNNTK-UHFFFAOYSA-N -1 0 336.347 3.625 20 0 EHADRM C/C(=C\CN1CCCN(C(=O)OC(C)(C)C)c2ccccc21)C(=O)[O-] ZINC000825742434 601171788 /nfs/dbraw/zinc/17/17/88/601171788.db2.gz YZMVZAUIUWSSLM-GXDHUFHOSA-N -1 0 346.427 3.669 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)OCc2ccc(OC(F)(F)F)cc2)C1 ZINC000833185046 601180009 /nfs/dbraw/zinc/18/00/09/601180009.db2.gz BDLRFEIZKCCEPE-RYUDHWBXSA-N -1 0 346.301 3.519 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)C2CC(OCc3ccccc3)C2)cc1 ZINC000833286762 601180546 /nfs/dbraw/zinc/18/05/46/601180546.db2.gz WBWHVAXYBGTRFY-UHFFFAOYSA-N -1 0 340.379 3.710 20 0 EHADRM C[C@H](CN(C)C(=O)c1ccc(Oc2ccccc2Cl)cc1)C(=O)[O-] ZINC000827442190 601181879 /nfs/dbraw/zinc/18/18/79/601181879.db2.gz DNXQYSJVPJGGLC-GFCCVEGCSA-N -1 0 347.798 3.925 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000325463851 601187247 /nfs/dbraw/zinc/18/72/47/601187247.db2.gz JGEXPYFVVXVLFA-UHFFFAOYSA-N -1 0 333.359 3.788 20 0 EHADRM COc1ccc([C@H](C)OC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1Cl ZINC000832226657 601187449 /nfs/dbraw/zinc/18/74/49/601187449.db2.gz QNNITXIKPHSAJT-DRZSPHRISA-N -1 0 340.803 3.844 20 0 EHADRM CCS[C@H]1CCC[C@@H](NC(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000830158677 601189821 /nfs/dbraw/zinc/18/98/21/601189821.db2.gz ZFSPXMDYUYIXAG-KGLIPLIRSA-N -1 0 336.457 3.879 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)c1cc(N)cc(Cl)c1Cl ZINC000833025039 601190192 /nfs/dbraw/zinc/19/01/92/601190192.db2.gz DFYGRCKOEKSTKA-UHFFFAOYSA-N -1 0 344.150 3.532 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000832992465 601194676 /nfs/dbraw/zinc/19/46/76/601194676.db2.gz LREGCSGEGDKORV-LLVKDONJSA-N -1 0 341.319 3.859 20 0 EHADRM CCN(c1ccccc1C)S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000391771031 601204152 /nfs/dbraw/zinc/20/41/52/601204152.db2.gz DXDXFKYZYIWJCL-UHFFFAOYSA-N -1 0 347.436 3.525 20 0 EHADRM C[C@@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1ccc(Cl)cc1Cl ZINC000237581885 601242308 /nfs/dbraw/zinc/24/23/08/601242308.db2.gz ADXLAAZJAISXQJ-MRVPVSSYSA-N -1 0 339.178 3.578 20 0 EHADRM COc1cccc(C(C)=CC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000832528723 601263413 /nfs/dbraw/zinc/26/34/13/601263413.db2.gz PAJPSEFJRGGSEW-DHZHZOJOSA-N -1 0 344.342 3.966 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NC[C@@H](c1cccnc1)C(C)C ZINC000832916670 601267286 /nfs/dbraw/zinc/26/72/86/601267286.db2.gz YDQPCTMWGAOKPF-MRXNPFEDSA-N -1 0 341.411 3.650 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000776630459 601278407 /nfs/dbraw/zinc/27/84/07/601278407.db2.gz KYMBZJXMJPWUJO-HNNXBMFYSA-N -1 0 331.343 3.628 20 0 EHADRM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237392777 601278704 /nfs/dbraw/zinc/27/87/04/601278704.db2.gz KBLYCUIAVPZURR-DNVCBOLYSA-N -1 0 337.419 3.722 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC000776641812 601284262 /nfs/dbraw/zinc/28/42/62/601284262.db2.gz GIIBLLPQURISMT-RMHQSFGDSA-N -1 0 341.382 3.522 20 0 EHADRM C[C@H](CN(C)C(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1)C(=O)[O-] ZINC000237541140 601284858 /nfs/dbraw/zinc/28/48/58/601284858.db2.gz WNKYEUILHASBQV-SNVBAGLBSA-N -1 0 344.238 3.594 20 0 EHADRM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)c2ccnc(C(=O)[O-])c2)cc1 ZINC000439789649 601289384 /nfs/dbraw/zinc/28/93/84/601289384.db2.gz FIRKMCIMFYSQRS-KDOFPFPSSA-N -1 0 338.407 3.702 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)c1ccnc(C(=O)[O-])c1)C(C)(C)C ZINC000237624173 601293785 /nfs/dbraw/zinc/29/37/85/601293785.db2.gz YTFQFLIJFYOKAV-MRXNPFEDSA-N -1 0 326.396 3.605 20 0 EHADRM COc1cc(Cl)ccc1C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832003947 601297766 /nfs/dbraw/zinc/29/77/66/601297766.db2.gz GRWACZDSLRDKBK-BDJLRTHQSA-N -1 0 347.798 3.540 20 0 EHADRM CN(Cc1cc2ccccc2o1)Cn1ncc2cc(C(=O)[O-])ccc21 ZINC000830811168 601300340 /nfs/dbraw/zinc/30/03/40/601300340.db2.gz QBDUURKMKIKJOV-UHFFFAOYSA-N -1 0 335.363 3.570 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Cc1c(C)nc2ccccc2c1C ZINC000776680932 601304517 /nfs/dbraw/zinc/30/45/17/601304517.db2.gz PGWLPPNLTWWUGO-UHFFFAOYSA-N -1 0 342.439 3.544 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cc(F)c(Cl)cc1Cl ZINC000262156243 601306683 /nfs/dbraw/zinc/30/66/83/601306683.db2.gz MLBVEKNYXNRXGN-UHFFFAOYSA-N -1 0 336.190 3.896 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)c(C)c1 ZINC000832947825 601309111 /nfs/dbraw/zinc/30/91/11/601309111.db2.gz WWUUMSGVLPVUIZ-INIZCTEOSA-N -1 0 330.359 3.780 20 0 EHADRM CN(Cc1ncc(-c2cccc(F)c2)o1)Cc1ccc(C(=O)[O-])cc1 ZINC000830819311 601353692 /nfs/dbraw/zinc/35/36/92/601353692.db2.gz CKDXNQOLBGUZAM-UHFFFAOYSA-N -1 0 340.354 3.811 20 0 EHADRM O=C([O-])c1ccc(-c2nc(COC(=O)[C@H]3C[C@H]3C3CC3)cs2)cc1 ZINC000833308467 601358441 /nfs/dbraw/zinc/35/84/41/601358441.db2.gz QGXIUYQUYKYUKD-GJZGRUSLSA-N -1 0 343.404 3.598 20 0 EHADRM C[C@@H](C(=O)N(C)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000825972350 601370879 /nfs/dbraw/zinc/37/08/79/601370879.db2.gz OEDPEJXVUNMXIL-AMIZOPFISA-N -1 0 330.211 3.624 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CNc1ccccc1C(=O)N1CCCCC1 ZINC000833025656 601390657 /nfs/dbraw/zinc/39/06/57/601390657.db2.gz PLMCIJQTNGWCGX-UHFFFAOYSA-N -1 0 342.395 3.524 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1cc(OC)ccc1OC(C)C ZINC000830379047 601390951 /nfs/dbraw/zinc/39/09/51/601390951.db2.gz HPUIWOHNDOZKNJ-UHFFFAOYSA-N -1 0 333.384 3.948 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CSc1nnc(-c2ccco2)n1CC ZINC000830398261 601395550 /nfs/dbraw/zinc/39/55/50/601395550.db2.gz JLKAUMKFDAOTDS-UHFFFAOYSA-N -1 0 347.396 3.704 20 0 EHADRM CC(C)(c1nc(-c2ccc(C(=O)[O-])cc2)no1)c1ccc(F)cc1 ZINC000826641434 601402199 /nfs/dbraw/zinc/40/21/99/601402199.db2.gz BPIXKAPWGLTNSO-UHFFFAOYSA-N -1 0 326.327 3.900 20 0 EHADRM Cc1cc(COc2cc3oc(=O)cc(C)c3cc2Cl)oc1C(=O)[O-] ZINC000832885262 601405262 /nfs/dbraw/zinc/40/52/62/601405262.db2.gz ONHLZEMLJCTEAO-UHFFFAOYSA-N -1 0 348.738 3.933 20 0 EHADRM O=C([O-])CC1(NC(=O)c2ccc(-c3ccccc3Cl)o2)CCC1 ZINC000262410800 601434092 /nfs/dbraw/zinc/43/40/92/601434092.db2.gz BJEBINVKWYANOU-UHFFFAOYSA-N -1 0 333.771 3.727 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cc3c(ccc(Cl)c3Cl)[nH]2)CCC1 ZINC000346031439 601436855 /nfs/dbraw/zinc/43/68/55/601436855.db2.gz VHQKMWOXXRFNPN-UHFFFAOYSA-N -1 0 341.194 3.602 20 0 EHADRM COc1ccccc1[C@H]1CCCN1c1nc(Cl)c(C(=O)[O-])s1 ZINC000832603135 601445078 /nfs/dbraw/zinc/44/50/78/601445078.db2.gz ZAFNYHOKVASRDD-SNVBAGLBSA-N -1 0 338.816 3.845 20 0 EHADRM C[C@@H](C(=O)N1CCc2cc(C(=O)[O-])ccc21)c1ccc(Cl)s1 ZINC000761421687 601445581 /nfs/dbraw/zinc/44/55/81/601445581.db2.gz RCXJALXTNPJJEV-SECBINFHSA-N -1 0 335.812 3.793 20 0 EHADRM O=C([O-])c1cnc(N(C(=O)C/C=C/c2cccc(F)c2)C2CC2)s1 ZINC000833338786 601449328 /nfs/dbraw/zinc/44/93/28/601449328.db2.gz ZPTLTXAYAIHWNO-DUXPYHPUSA-N -1 0 346.383 3.579 20 0 EHADRM Cc1csc([C@H](OC(=O)c2ccc(C(=O)[O-])cc2)C(F)(F)F)n1 ZINC000821146750 601451439 /nfs/dbraw/zinc/45/14/39/601451439.db2.gz HOUVWTJQGROTOM-JTQLQIEISA-N -1 0 345.298 3.610 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)CSC(C)(C)C)ccc2n1C ZINC000832851871 601451749 /nfs/dbraw/zinc/45/17/49/601451749.db2.gz KKPATNKGMPRCKE-UHFFFAOYSA-N -1 0 335.425 3.622 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000767052935 601461229 /nfs/dbraw/zinc/46/12/29/601461229.db2.gz WSEPGOUMKSNREH-HNNXBMFYSA-N -1 0 332.227 3.686 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CCc1cccc(OC2CCCC2)c1 ZINC000236997298 601465182 /nfs/dbraw/zinc/46/51/82/601465182.db2.gz JYSMFRPUULNEFW-FQEVSTJZSA-N -1 0 347.455 3.700 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)OCc2cc(C(=O)[O-])oc2C)cc1 ZINC000832220897 601474350 /nfs/dbraw/zinc/47/43/50/601474350.db2.gz KVCJLNPRXZFFIS-NSHDSACASA-N -1 0 332.352 3.532 20 0 EHADRM CCc1cccc(CC)c1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000324262891 601484209 /nfs/dbraw/zinc/48/42/09/601484209.db2.gz HWTOANPSBZWYLF-UHFFFAOYSA-N -1 0 332.444 3.920 20 0 EHADRM CC[C@H](CC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-])c1ccccc1 ZINC000262515332 601495593 /nfs/dbraw/zinc/49/55/93/601495593.db2.gz LEEWIUJQYDCHKN-FOIQADDNSA-N -1 0 337.419 3.781 20 0 EHADRM Cc1oc(COC(=O)c2ccc3ccc(Cl)cc3n2)cc1C(=O)[O-] ZINC000833026905 601500165 /nfs/dbraw/zinc/50/01/65/601500165.db2.gz OYTVUYLVBCPDEL-UHFFFAOYSA-N -1 0 345.738 3.845 20 0 EHADRM C[C@@H]1CC/C(=C\C(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)C1 ZINC000828200131 601501746 /nfs/dbraw/zinc/50/17/46/601501746.db2.gz BYTIAGJEBXDERW-GMCKNXKJSA-N -1 0 337.366 3.515 20 0 EHADRM C[C@@H]1CC/C(=C/C(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)C1 ZINC000828200470 601503695 /nfs/dbraw/zinc/50/36/95/601503695.db2.gz GJFOQAZHWNJUJE-YGYTWAPGSA-N -1 0 337.366 3.515 20 0 EHADRM CSc1ccccc1NC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000347387990 601525158 /nfs/dbraw/zinc/52/51/58/601525158.db2.gz NPCBLXXXCBHUCA-UHFFFAOYSA-N -1 0 345.420 3.741 20 0 EHADRM Cc1cccc(C)c1NC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000237637645 601525970 /nfs/dbraw/zinc/52/59/70/601525970.db2.gz SPBGHCPISTUGTP-UHFFFAOYSA-N -1 0 327.380 3.636 20 0 EHADRM CC[C@@H](C(=O)N[C@H](CC(=O)[O-])C1CC1)c1cccc(C(F)(F)F)c1 ZINC000828587198 601531965 /nfs/dbraw/zinc/53/19/65/601531965.db2.gz OVZFLMSEXWQDOY-ZIAGYGMSSA-N -1 0 343.345 3.569 20 0 EHADRM CCN(C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1)c1ccccc1F ZINC000829602631 601532363 /nfs/dbraw/zinc/53/23/63/601532363.db2.gz SRSZQUSZXCDGGL-UHFFFAOYSA-N -1 0 345.370 3.573 20 0 EHADRM C[C@@H]1CN(c2ncnc3sc(-c4ccccc4)cc32)C[C@@H]1C(=O)[O-] ZINC000828499554 601562693 /nfs/dbraw/zinc/56/26/93/601562693.db2.gz CCGTUUFERDEUAS-RISCZKNCSA-N -1 0 339.420 3.515 20 0 EHADRM O=C([O-])[C@@H](NC(=O)/C=C/Sc1ccccc1)c1ccc(Cl)cc1 ZINC000833092267 601584844 /nfs/dbraw/zinc/58/48/44/601584844.db2.gz ACBXEZRXNZXHGG-OFAQMXQXSA-N -1 0 347.823 3.888 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(C(=O)N[C@H](C(=O)[O-])C2CC2)cc1F ZINC000262202514 601593769 /nfs/dbraw/zinc/59/37/69/601593769.db2.gz WJZPBXWEJIDMBP-KRWDZBQOSA-N -1 0 345.345 3.533 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(Oc2cccc(Cl)c2)cc1)C1CC1 ZINC000833125064 601597203 /nfs/dbraw/zinc/59/72/03/601597203.db2.gz GAYYBWJFFARKMQ-INIZCTEOSA-N -1 0 345.782 3.725 20 0 EHADRM O=C([O-])c1ccc(Cl)cc1OC(=O)CCSc1ccccn1 ZINC000833101252 601598286 /nfs/dbraw/zinc/59/82/86/601598286.db2.gz NQTGILDWGMSCKV-UHFFFAOYSA-N -1 0 337.784 3.521 20 0 EHADRM O=C([O-])C1(CNC(=O)c2sccc2-c2ccc(F)cc2)CCCC1 ZINC000767185904 601601804 /nfs/dbraw/zinc/60/18/04/601601804.db2.gz JACXRMSSWYEXHV-UHFFFAOYSA-N -1 0 347.411 3.929 20 0 EHADRM O=C([O-])C1(CNC(=O)c2sccc2-c2ccccc2)CCCC1 ZINC000321572020 601602678 /nfs/dbraw/zinc/60/26/78/601602678.db2.gz MQCXXJGNEXWNAI-UHFFFAOYSA-N -1 0 329.421 3.790 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NCc2noc(-c3cccs3)n2)c1 ZINC000833297097 601607435 /nfs/dbraw/zinc/60/74/35/601607435.db2.gz DLZOOIAUJFNKDX-UHFFFAOYSA-N -1 0 335.772 3.762 20 0 EHADRM C[C@H](OC(=O)CCCc1ccc(F)c(F)c1)c1ccc(C(=O)[O-])o1 ZINC000827833148 601608968 /nfs/dbraw/zinc/60/89/68/601608968.db2.gz FVYZDOWKDIBNQM-JTQLQIEISA-N -1 0 338.306 3.883 20 0 EHADRM C[C@H]1CCc2c(C(=O)Nc3ccccc3CC(=O)[O-])csc2C1 ZINC000237615356 601615152 /nfs/dbraw/zinc/61/51/52/601615152.db2.gz LLPWAHGHBKQNDM-NSHDSACASA-N -1 0 329.421 3.752 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1ccc(Oc2ccccc2)nc1 ZINC000238098176 601616796 /nfs/dbraw/zinc/61/67/96/601616796.db2.gz LRRGKGSTYQNSHK-UHFFFAOYSA-N -1 0 348.358 3.753 20 0 EHADRM COc1ccc2oc(C)c(C(=O)Nc3ccccc3CC(=O)[O-])c2c1 ZINC000237316222 601617258 /nfs/dbraw/zinc/61/72/58/601617258.db2.gz FHSLSCLSVUFBDT-UHFFFAOYSA-N -1 0 339.347 3.629 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccccc1CC(=O)[O-] ZINC000262111046 601617519 /nfs/dbraw/zinc/61/75/19/601617519.db2.gz INDIOSNSPVBZSC-QGPMSJSTSA-N -1 0 347.455 3.730 20 0 EHADRM CCOc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000013173730 601619500 /nfs/dbraw/zinc/61/95/00/601619500.db2.gz GDKWKRHKEMIVGM-INIZCTEOSA-N -1 0 347.798 3.685 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C=C(C1CC1)C1CC1)c1ccc(Cl)cc1 ZINC000776667184 601621826 /nfs/dbraw/zinc/62/18/26/601621826.db2.gz JTGKOJCTTRDPNM-INIZCTEOSA-N -1 0 333.815 3.718 20 0 EHADRM Cc1occc1-c1nnc(SCc2ccc(C(=O)[O-])c(F)c2)n1C ZINC000833030550 601622243 /nfs/dbraw/zinc/62/22/43/601622243.db2.gz YNVMFSLDLHUNHB-UHFFFAOYSA-N -1 0 347.371 3.513 20 0 EHADRM Cc1c(F)cccc1NC(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832854474 601627729 /nfs/dbraw/zinc/62/77/29/601627729.db2.gz KORXZMUVCBUVGF-BLLLJJGKSA-N -1 0 330.359 3.718 20 0 EHADRM Cc1ccc(OC(F)F)c(CN[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000832951010 601642085 /nfs/dbraw/zinc/64/20/85/601642085.db2.gz QBSYACPFXPJECP-OAHLLOKOSA-N -1 0 339.313 3.651 20 0 EHADRM CCCCC[C@H](NC(=O)c1cccc(-c2nc(C)cs2)c1)C(=O)[O-] ZINC000236680987 601644628 /nfs/dbraw/zinc/64/46/28/601644628.db2.gz ACIRNZXRTITJNT-HNNXBMFYSA-N -1 0 346.452 3.882 20 0 EHADRM CCCCC[C@H](NC(=O)c1cc(C(C)C)n(C(C)(C)C)n1)C(=O)[O-] ZINC000236666995 601645978 /nfs/dbraw/zinc/64/59/78/601645978.db2.gz DNFNQNMYPYNHCX-ZDUSSCGKSA-N -1 0 337.464 3.525 20 0 EHADRM CC[C@@H](C)c1ccc(C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)cc1 ZINC000828764964 601651589 /nfs/dbraw/zinc/65/15/89/601651589.db2.gz ROSYMFZSBVUGBW-FZKQIMNGSA-N -1 0 339.391 3.693 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2C[C@@H]2Cc2ccccc2)ccc1Cl ZINC000833300158 601652507 /nfs/dbraw/zinc/65/25/07/601652507.db2.gz KXPHPPAWAYKETN-JSGCOSHPSA-N -1 0 329.783 3.856 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000833158802 601670081 /nfs/dbraw/zinc/67/00/81/601670081.db2.gz YDCIPAHMYWLBHO-UHFFFAOYSA-N -1 0 345.223 3.934 20 0 EHADRM CCCC[C@@H](NC(=O)NCCc1ccc(NC(=O)[O-])cc1)C1CCC1 ZINC000829295525 601674284 /nfs/dbraw/zinc/67/42/84/601674284.db2.gz GVFTYATZBULUNS-QGZVFWFLSA-N -1 0 347.459 3.977 20 0 EHADRM Cc1cc(C(=O)N(C)[C@H](C)c2cccs2)cc(C)c1OCC(=O)[O-] ZINC000237412339 601675148 /nfs/dbraw/zinc/67/51/48/601675148.db2.gz KXKGMELLZGNTDQ-CYBMUJFWSA-N -1 0 347.436 3.662 20 0 EHADRM CC[C@H](C(=O)OC/C=C(\C)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000828604314 601682250 /nfs/dbraw/zinc/68/22/50/601682250.db2.gz ZWBITZKEPVEREG-RSPDNQDQSA-N -1 0 330.302 3.773 20 0 EHADRM O=C([O-])c1c(C2CC2)csc1NC(=O)Cc1cccc(F)c1F ZINC000833118313 601686217 /nfs/dbraw/zinc/68/62/17/601686217.db2.gz HAXINKOYLUQPEK-UHFFFAOYSA-N -1 0 337.347 3.783 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2ccc(Cl)c3ncccc23)CCCC1 ZINC000833135690 601689592 /nfs/dbraw/zinc/68/95/92/601689592.db2.gz HCNYBJOSYAVHQH-UHFFFAOYSA-N -1 0 347.802 3.655 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2cccc(SC(F)F)c2)CCCC1 ZINC000833136789 601708854 /nfs/dbraw/zinc/70/88/54/601708854.db2.gz YULZUXNAXMDUBK-UHFFFAOYSA-N -1 0 344.383 3.768 20 0 EHADRM O=C([O-])c1ccc(COC(=O)/C=C\c2ccc(Cl)s2)cc1F ZINC000833094945 601714376 /nfs/dbraw/zinc/71/43/76/601714376.db2.gz MCGXYHSTZZAQJX-UTCJRWHESA-N -1 0 340.759 3.995 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cc(F)c(F)cc2Cl)cc1F ZINC000833314841 601720699 /nfs/dbraw/zinc/72/06/99/601720699.db2.gz AASWSFFSINTDEI-UHFFFAOYSA-N -1 0 344.672 3.813 20 0 EHADRM Cc1cc([C@H](C)NC(=O)Nc2ccc(CNC(=O)[O-])cc2)ccc1F ZINC000832870474 601724228 /nfs/dbraw/zinc/72/42/28/601724228.db2.gz INBUMYAAAORJCQ-LBPRGKRZSA-N -1 0 345.374 3.784 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cc(Cl)nc(Cl)c2)cc1F ZINC000833353581 601729432 /nfs/dbraw/zinc/72/94/32/601729432.db2.gz VZCZDDWOVLQKTR-UHFFFAOYSA-N -1 0 344.125 3.583 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)[C@H]1SCCc2ccccc21 ZINC000833032064 601732312 /nfs/dbraw/zinc/73/23/12/601732312.db2.gz SJIITGBPNFTWFM-HNNXBMFYSA-N -1 0 348.445 3.829 20 0 EHADRM CCSCc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000611464039 601735195 /nfs/dbraw/zinc/73/51/95/601735195.db2.gz SUFDOAFTFWCFOZ-MRXNPFEDSA-N -1 0 347.411 3.635 20 0 EHADRM Cc1cc2cc(C(=O)N[C@H](C(=O)[O-])c3ccccc3F)oc2cc1C ZINC000678989237 601739274 /nfs/dbraw/zinc/73/92/74/601739274.db2.gz YPQFZYMNQPHNED-KRWDZBQOSA-N -1 0 341.338 3.744 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000828759539 601741123 /nfs/dbraw/zinc/74/11/23/601741123.db2.gz VMESLJGSMJBVDR-SJCJKPOMSA-N -1 0 345.370 3.559 20 0 EHADRM C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccccc1F)c1ccc(Cl)s1 ZINC000683320674 601742121 /nfs/dbraw/zinc/74/21/21/601742121.db2.gz YQVHYEISFDCZEY-AMIZOPFISA-N -1 0 341.791 3.586 20 0 EHADRM O=C([O-])CCCc1csc(NC(=O)c2cccc3ccccc32)n1 ZINC000391658501 601744810 /nfs/dbraw/zinc/74/48/10/601744810.db2.gz AMRGFZKBFJMGJL-UHFFFAOYSA-N -1 0 340.404 3.956 20 0 EHADRM O=C([O-])CCCc1csc(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)n1 ZINC000833228905 601746973 /nfs/dbraw/zinc/74/69/73/601746973.db2.gz HFTRQJDNQULOIE-UONOGXRCSA-N -1 0 336.457 3.705 20 0 EHADRM CC[C@@H](NC(=O)c1ccccc1OCc1ccccc1Cl)C(=O)[O-] ZINC000236967808 601748611 /nfs/dbraw/zinc/74/86/11/601748611.db2.gz LYWBPXJBUQYIOL-OAHLLOKOSA-N -1 0 347.798 3.512 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Cc1c[nH]c2ccc(Cl)cc12)C1CCCCC1 ZINC000833116671 601749425 /nfs/dbraw/zinc/74/94/25/601749425.db2.gz MMGLZWZVBWQKHL-KRWDZBQOSA-N -1 0 348.830 3.514 20 0 EHADRM Cc1nn(Cc2coc(-c3ccc(F)cc3)n2)c(C)c1[C@@H](C)C(=O)[O-] ZINC000833021859 601780291 /nfs/dbraw/zinc/78/02/91/601780291.db2.gz YKBGJCPEIVENDX-SNVBAGLBSA-N -1 0 343.358 3.530 20 0 EHADRM C[C@]1(c2ccccc2)CCN(C(=O)Nc2cccc(NC(=O)[O-])c2)C1 ZINC000828127615 601781129 /nfs/dbraw/zinc/78/11/29/601781129.db2.gz GNVALBUPCOPESW-IBGZPJMESA-N -1 0 339.395 3.972 20 0 EHADRM CN(C)C(=O)Sc1ccc(COc2cccc(C(=O)[O-])c2)cc1 ZINC000830569618 601782471 /nfs/dbraw/zinc/78/24/71/601782471.db2.gz QGLUVVIRBCSVTJ-UHFFFAOYSA-N -1 0 331.393 3.738 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cccc(-c3cccs3)c2)C[C@H]1C(=O)[O-] ZINC000828379466 601790747 /nfs/dbraw/zinc/79/07/47/601790747.db2.gz ZCIGLWSCKGMNKM-BXUZGUMPSA-N -1 0 330.409 3.600 20 0 EHADRM C[C@@]1(c2ccccc2)CCN(C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000828127646 601791677 /nfs/dbraw/zinc/79/16/77/601791677.db2.gz HGRSEFCGTDNSGY-LJQANCHMSA-N -1 0 342.370 3.719 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)c(F)c1 ZINC000833318689 601791995 /nfs/dbraw/zinc/79/19/95/601791995.db2.gz BVILENVEMSDZHD-CYBMUJFWSA-N -1 0 346.333 3.684 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc2cccc(Cl)c2o1 ZINC000774071480 601801670 /nfs/dbraw/zinc/80/16/70/601801670.db2.gz FSVKNDIZEOPRCB-SWHYSGLUSA-N -1 0 347.798 3.944 20 0 EHADRM CCc1[nH]c(C(=O)Nc2cc(C(C)C)c(O)cc2C)c(C)c1C(=O)[O-] ZINC000830197491 601801911 /nfs/dbraw/zinc/80/19/11/601801911.db2.gz WACNBFOUMGLLFO-UHFFFAOYSA-N -1 0 344.411 3.973 20 0 EHADRM CC(=O)Nc1cccc(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])c1 ZINC000825913331 601806807 /nfs/dbraw/zinc/80/68/07/601806807.db2.gz OHTXLDJGWBEPRN-UHFFFAOYSA-N -1 0 344.392 3.534 20 0 EHADRM C[C@@H](NC(=O)CNc1cccc(C(=O)[O-])c1)c1ccc2ccccc2c1 ZINC000827636691 601807826 /nfs/dbraw/zinc/80/78/26/601807826.db2.gz NNTQMPVKWANIDW-CQSZACIVSA-N -1 0 348.402 3.827 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])cc1 ZINC000737549107 601808722 /nfs/dbraw/zinc/80/87/22/601808722.db2.gz RNEMHUWKPFFDGC-UHFFFAOYSA-N -1 0 329.377 3.779 20 0 EHADRM Cn1c(SCc2ccsc2C(=O)[O-])nnc1-c1cccs1 ZINC000833041359 601808948 /nfs/dbraw/zinc/80/89/48/601808948.db2.gz RBMMUXUTNCMIPB-UHFFFAOYSA-N -1 0 337.451 3.596 20 0 EHADRM Cc1noc(C)c1[C@H](C)C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000833019018 601809069 /nfs/dbraw/zinc/80/90/69/601809069.db2.gz AIPLAEURRWSNIM-ZETCQYMHSA-N -1 0 334.397 3.671 20 0 EHADRM O=C([O-])c1sccc1COc1nc(-c2ccccc2Cl)no1 ZINC000833348740 601809929 /nfs/dbraw/zinc/80/99/29/601809929.db2.gz QSHOXRHSXHZWMQ-UHFFFAOYSA-N -1 0 336.756 3.729 20 0 EHADRM COC(=O)c1ccc2nc(SCc3ccsc3C(=O)[O-])oc2c1 ZINC000831449391 601810698 /nfs/dbraw/zinc/81/06/98/601810698.db2.gz SFVSGIKYIRLRRK-UHFFFAOYSA-N -1 0 349.389 3.666 20 0 EHADRM CC(C)C[C@@H](CNC(=O)[C@H](C)c1ccc2ccccc2c1)C(=O)[O-] ZINC000424234778 601811805 /nfs/dbraw/zinc/81/18/05/601811805.db2.gz BFOCABMCRAOVOA-KDOFPFPSSA-N -1 0 327.424 3.806 20 0 EHADRM COCc1nc(CSCc2ccc(C(=O)[O-])c(F)c2)cs1 ZINC000831827235 601812822 /nfs/dbraw/zinc/81/28/22/601812822.db2.gz SFUZYPJJCQTGIP-UHFFFAOYSA-N -1 0 327.402 3.560 20 0 EHADRM Cc1cccn2cc(CSCc3ccc(C(=O)[O-])c(F)c3)nc12 ZINC000832981747 601813309 /nfs/dbraw/zinc/81/33/09/601813309.db2.gz GXVYWAWTXUWGDB-UHFFFAOYSA-N -1 0 330.384 3.913 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1 ZINC000324286013 601818542 /nfs/dbraw/zinc/81/85/42/601818542.db2.gz QMPMFAJKWPKCOT-UHFFFAOYSA-N -1 0 329.440 3.602 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000324358220 601820626 /nfs/dbraw/zinc/82/06/26/601820626.db2.gz QHJDAAIVTXOYTR-UHFFFAOYSA-N -1 0 333.359 3.597 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2cccc(C(F)(F)F)c2F)CC1 ZINC000325344766 601821176 /nfs/dbraw/zinc/82/11/76/601821176.db2.gz YZLQCIUVUYCPJQ-UHFFFAOYSA-N -1 0 347.308 3.562 20 0 EHADRM CC(C)n1ncc2cc(CNc3cc(F)c(F)cc3C(=O)[O-])cnc21 ZINC000827201029 601830585 /nfs/dbraw/zinc/83/05/85/601830585.db2.gz OMSVPSPWAJGBCL-UHFFFAOYSA-N -1 0 346.337 3.601 20 0 EHADRM C[C@H](SCc1ccc(C(=O)[O-])s1)C(=O)NC1CCCCC1 ZINC000827909102 601847188 /nfs/dbraw/zinc/84/71/88/601847188.db2.gz QXKKDDQEJQWXBA-JTQLQIEISA-N -1 0 327.471 3.517 20 0 EHADRM O=C([O-])c1ccc(CSCCC(=O)Nc2ccccc2F)s1 ZINC000833100484 601847377 /nfs/dbraw/zinc/84/73/77/601847377.db2.gz COUBEUOTIXQDEM-UHFFFAOYSA-N -1 0 339.413 3.847 20 0 EHADRM CC(C)[C@H](NC(=O)NCc1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000826700008 601848593 /nfs/dbraw/zinc/84/85/93/601848593.db2.gz MTSKHSYMAZZKGO-KRWDZBQOSA-N -1 0 344.386 3.720 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)CCN(C(=O)[O-])C(C)C)c2)oc1C ZINC000740210305 601881201 /nfs/dbraw/zinc/88/12/01/601881201.db2.gz SKNLPDHRATZYKZ-UHFFFAOYSA-N -1 0 345.399 3.675 20 0 EHADRM O=C([O-])c1sccc1CSc1nc2cc(Cl)cnc2[nH]1 ZINC000833348968 601890452 /nfs/dbraw/zinc/89/04/52/601890452.db2.gz XDQZUCJKWBKENA-UHFFFAOYSA-N -1 0 325.802 3.663 20 0 EHADRM O=Cc1ccc(OCc2ccc(C(=O)[O-])s2)c(Br)c1 ZINC000833359622 601890761 /nfs/dbraw/zinc/89/07/61/601890761.db2.gz DQWKMKAXCBYYKF-UHFFFAOYSA-N -1 0 341.182 3.600 20 0 EHADRM Cc1csc(-c2ccc(NC(=O)[C@H](CC(C)C)NC(=O)[O-])cc2)n1 ZINC000738814401 601891012 /nfs/dbraw/zinc/89/10/12/601891012.db2.gz QEDHXNHQTWPSHV-AWEZNQCLSA-N -1 0 347.440 3.739 20 0 EHADRM CSc1ccc(C)c(C(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])c1 ZINC000538513290 601898665 /nfs/dbraw/zinc/89/86/65/601898665.db2.gz CIOVIJODNXOCGF-GOEBONIOSA-N -1 0 335.469 3.870 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)c1ccc(C(F)F)cc1 ZINC000833131886 601906796 /nfs/dbraw/zinc/90/67/96/601906796.db2.gz JWHMZRLSYWDILF-KGLIPLIRSA-N -1 0 325.355 3.778 20 0 EHADRM CC(C)Oc1ccccc1CC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000537366279 601911683 /nfs/dbraw/zinc/91/16/83/601911683.db2.gz NFALYQHOTPIJPA-IRXDYDNUSA-N -1 0 347.455 3.556 20 0 EHADRM CC(C)Sc1ccccc1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000532253978 601920877 /nfs/dbraw/zinc/92/08/77/601920877.db2.gz CDBXCQCQVFELMM-UHFFFAOYSA-N -1 0 329.421 3.815 20 0 EHADRM O=C([O-])c1ccc(CN2CCc3[nH]c4ccc(F)cc4c3C2)s1 ZINC000833314618 601950987 /nfs/dbraw/zinc/95/09/87/601950987.db2.gz OHNNUTZUVSWFCK-UHFFFAOYSA-N -1 0 330.384 3.625 20 0 EHADRM CN(C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1)C1CCCC1 ZINC000830523258 601959394 /nfs/dbraw/zinc/95/93/94/601959394.db2.gz HTQWHAYGOFPHRR-UHFFFAOYSA-N -1 0 330.306 3.810 20 0 EHADRM Cc1cc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c(Cl)cc1F ZINC000237752887 601970622 /nfs/dbraw/zinc/97/06/22/601970622.db2.gz INRZHSFDCWDOEM-BZNIZROVSA-N -1 0 349.789 3.979 20 0 EHADRM Cc1ccc(Cl)c(OCC(=O)OCc2ccc(C(=O)[O-])s2)c1 ZINC000832935574 601996605 /nfs/dbraw/zinc/99/66/05/601996605.db2.gz SPLQZDORRXTNOU-UHFFFAOYSA-N -1 0 340.784 3.530 20 0 EHADRM Cc1cc(C(=O)OCc2ccc(C(=O)[O-])s2)c2ccccc2n1 ZINC000832869572 601996654 /nfs/dbraw/zinc/99/66/54/601996654.db2.gz DHNYZXVJXFTWOL-UHFFFAOYSA-N -1 0 327.361 3.660 20 0 EHADRM CN(C(=O)CCCC(C)(C)C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830472248 601999008 /nfs/dbraw/zinc/99/90/08/601999008.db2.gz PONALZQYJGYBDK-HNNXBMFYSA-N -1 0 345.361 3.904 20 0 EHADRM C[C@@H](c1ccccc1)n1ccc(NC(=O)c2ccc(C(=O)[O-])s2)n1 ZINC000827948905 602026020 /nfs/dbraw/zinc/02/60/20/602026020.db2.gz HNAGFPMBKBTUDC-NSHDSACASA-N -1 0 341.392 3.504 20 0 EHADRM CSc1ccc(NC(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])cc1 ZINC000832781091 602028935 /nfs/dbraw/zinc/02/89/35/602028935.db2.gz QJADXAOIBMWSGC-GJZGRUSLSA-N -1 0 336.457 3.954 20 0 EHADRM CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000830150745 602033351 /nfs/dbraw/zinc/03/33/51/602033351.db2.gz QLUPSXIEARIHRY-NEPJUHHUSA-N -1 0 340.420 3.662 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cc(C3CC3)nc3ccccc32)cn1 ZINC000740711998 602038308 /nfs/dbraw/zinc/03/83/08/602038308.db2.gz IPTZZBUBJXSMRQ-UHFFFAOYSA-N -1 0 348.362 3.849 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2ccc3ccc(Cl)cc3n2)c1 ZINC000428101640 602066876 /nfs/dbraw/zinc/06/68/76/602066876.db2.gz KUBFHJTZRBFZQA-UHFFFAOYSA-N -1 0 340.766 3.768 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2cc(Oc3ccccc3)ccn2)c1 ZINC000428085659 602067150 /nfs/dbraw/zinc/06/71/50/602067150.db2.gz MEHSXPXAGWXKNH-UHFFFAOYSA-N -1 0 348.358 3.753 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Cc2cccc(C(F)(F)F)c2)c1 ZINC000336876289 602068814 /nfs/dbraw/zinc/06/88/14/602068814.db2.gz CXFMECSTKFPWMA-UHFFFAOYSA-N -1 0 337.297 3.514 20 0 EHADRM Cc1ccc(C(=O)Nc2cccc(CC(=O)[O-])c2)cc1Br ZINC000164431343 602070124 /nfs/dbraw/zinc/07/01/24/602070124.db2.gz GECTYESHONHGGH-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)[C@H]2CCSc3ccccc32)c1 ZINC000676210780 602074237 /nfs/dbraw/zinc/07/42/37/602074237.db2.gz WLMWDPRLPIHKNW-HNNXBMFYSA-N -1 0 327.405 3.532 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000827303894 602077505 /nfs/dbraw/zinc/07/75/05/602077505.db2.gz KUDVUVOHMHRFAC-LURJTMIESA-N -1 0 343.223 3.774 20 0 EHADRM Cc1c(C(=O)Nc2cccc(CC(=O)[O-])c2)sc2nccc(C)c12 ZINC000738325356 602078471 /nfs/dbraw/zinc/07/84/71/602078471.db2.gz XETBHHZYKLQJOZ-UHFFFAOYSA-N -1 0 340.404 3.793 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000827271128 602089267 /nfs/dbraw/zinc/08/92/67/602089267.db2.gz GSUARPCLSNZUEO-YVEFUNNKSA-N -1 0 331.799 3.656 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)NCCCCCCCC(=O)[O-] ZINC000828185600 602093134 /nfs/dbraw/zinc/09/31/34/602093134.db2.gz ZJXCLGKPZHFYGW-FUHWJXTLSA-N -1 0 346.471 3.999 20 0 EHADRM CN(C(=O)NCCCCCCCC(=O)[O-])[C@H]1CCc2ccccc21 ZINC000830499783 602093553 /nfs/dbraw/zinc/09/35/53/602093553.db2.gz CSUVAWVVTXUUGM-KRWDZBQOSA-N -1 0 332.444 3.741 20 0 EHADRM CC(C)OCc1ccc(NC(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000737644864 602095940 /nfs/dbraw/zinc/09/59/40/602095940.db2.gz UOLJBSDRPMRKHA-UHFFFAOYSA-N -1 0 342.395 3.883 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(C(F)(F)F)ccc2F)cc1 ZINC000321267485 602097198 /nfs/dbraw/zinc/09/71/98/602097198.db2.gz AVLAEDBQBNPXFH-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM O=C([O-])c1ccc(OC(=O)c2cc(C(F)(F)F)ccc2F)cc1 ZINC000833321368 602097984 /nfs/dbraw/zinc/09/79/84/602097984.db2.gz BPGNDYFTJIKDFE-UHFFFAOYSA-N -1 0 328.217 3.762 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cccc(Cl)c1F)c1ccc(F)cc1 ZINC000833351686 602101178 /nfs/dbraw/zinc/10/11/78/602101178.db2.gz TVEVQLXROZLCOE-CYBMUJFWSA-N -1 0 326.682 3.601 20 0 EHADRM Cc1ccc(Br)c(C(=O)O[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000832910446 602106485 /nfs/dbraw/zinc/10/64/85/602106485.db2.gz KHRVOLYRNCDAML-CQSZACIVSA-N -1 0 349.180 3.740 20 0 EHADRM CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C)CC(=O)[O-] ZINC000827247957 602107979 /nfs/dbraw/zinc/10/79/79/602107979.db2.gz SGHXPEQABKYKJO-SNVBAGLBSA-N -1 0 332.227 3.841 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1ccc2sccc2c1 ZINC000345859850 602112883 /nfs/dbraw/zinc/11/28/83/602112883.db2.gz GTTIGSFPRGKOCJ-UHFFFAOYSA-N -1 0 325.389 3.872 20 0 EHADRM COc1ccccc1Oc1ccc(NC(=O)[C@H](C)CC(=O)[O-])cc1F ZINC000832633195 602120941 /nfs/dbraw/zinc/12/09/41/602120941.db2.gz RPTNBPOHKANPTP-LLVKDONJSA-N -1 0 347.342 3.676 20 0 EHADRM CCc1oc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])cc1C ZINC000190669248 602133759 /nfs/dbraw/zinc/13/37/59/602133759.db2.gz HVFVLTGAAOIRBC-AWEZNQCLSA-N -1 0 329.396 3.514 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc2sccc2c1)c1cc(F)ccc1F ZINC000776616396 602136406 /nfs/dbraw/zinc/13/64/06/602136406.db2.gz HWXATFINFSSQPK-OAHLLOKOSA-N -1 0 347.342 3.735 20 0 EHADRM CCC[C@](C)(NC(=O)[O-])C(=O)Nc1ccc(-c2nc(C)cs2)cc1 ZINC000739301076 602150099 /nfs/dbraw/zinc/15/00/99/602150099.db2.gz JJCQCIXYVBWNLV-KRWDZBQOSA-N -1 0 347.440 3.883 20 0 EHADRM Cc1ccccc1Oc1ccccc1CNC(=O)[C@H](C)CC(=O)[O-] ZINC000832982019 602152508 /nfs/dbraw/zinc/15/25/08/602152508.db2.gz VBOSIRGXICOMSQ-CQSZACIVSA-N -1 0 327.380 3.514 20 0 EHADRM Cc1csc([C@H]2CCCCN2C(=O)c2cccc(NC(=O)[O-])c2)n1 ZINC000738817364 602157897 /nfs/dbraw/zinc/15/78/97/602157897.db2.gz ZZQSJRLLUINKQT-CQSZACIVSA-N -1 0 345.424 3.909 20 0 EHADRM Cc1cccc(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)c1F ZINC000832962872 602159509 /nfs/dbraw/zinc/15/95/09/602159509.db2.gz DAQQFUJUAGHTNF-UHFFFAOYSA-N -1 0 336.388 3.839 20 0 EHADRM Cc1cc(OCc2ccccc2)ccc1NC(=O)[C@H](C)CC(=O)[O-] ZINC000832901101 602166327 /nfs/dbraw/zinc/16/63/27/602166327.db2.gz UNGMAHSAWHRHIP-CQSZACIVSA-N -1 0 327.380 3.623 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)c2cc3ccsc3[nH]2)c1 ZINC000739918417 602171904 /nfs/dbraw/zinc/17/19/04/602171904.db2.gz UABSYCZFIOJEAP-UHFFFAOYSA-N -1 0 331.353 3.580 20 0 EHADRM CCOc1ccc(CCC(=O)Nc2ccccc2NC(=O)[O-])cc1 ZINC000739503771 602172842 /nfs/dbraw/zinc/17/28/42/602172842.db2.gz ZPMMSCFBCGIVGM-UHFFFAOYSA-N -1 0 328.368 3.747 20 0 EHADRM Cc1nc(-c2c[nH]c(C(=O)Nc3ccccc3NC(=O)[O-])c2)cs1 ZINC000740208070 602177689 /nfs/dbraw/zinc/17/76/89/602177689.db2.gz MVSVXPIIYMOIGE-UHFFFAOYSA-N -1 0 342.380 3.789 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2cnc(-c3ccccc3F)s2)c1 ZINC000191372271 602178678 /nfs/dbraw/zinc/17/86/78/602178678.db2.gz UYYCLDOYDJSBHO-UHFFFAOYSA-N -1 0 348.380 3.961 20 0 EHADRM CCc1ccc(C(=O)CCC(=O)Nc2ccccc2NC(=O)[O-])cc1 ZINC000739544560 602179334 /nfs/dbraw/zinc/17/93/34/602179334.db2.gz JGRCPCLAFLMPMU-UHFFFAOYSA-N -1 0 340.379 3.941 20 0 EHADRM Cc1ccc(C)c(OCCC(=O)Nc2ccccc2NC(=O)[O-])c1 ZINC000740119617 602179829 /nfs/dbraw/zinc/17/98/29/602179829.db2.gz QMASURJFOVNCPW-UHFFFAOYSA-N -1 0 328.368 3.801 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)Nc1ccc2[nH]c(C3CCCCC3)nc2c1 ZINC000827309594 602181242 /nfs/dbraw/zinc/18/12/42/602181242.db2.gz CCWUMHVYXJJGHZ-LLVKDONJSA-N -1 0 329.400 3.660 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1 ZINC000827317350 602182572 /nfs/dbraw/zinc/18/25/72/602182572.db2.gz LEMUMFFFIIKOOW-VIFPVBQESA-N -1 0 337.297 3.820 20 0 EHADRM CCN(C(=O)[C@@H](C)CC(=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000829590884 602192411 /nfs/dbraw/zinc/19/24/11/602192411.db2.gz IODZMMXBGKXETA-HNNXBMFYSA-N -1 0 325.408 3.735 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N2CCCc3c(F)ccc(F)c32)cc1 ZINC000833312992 602198536 /nfs/dbraw/zinc/19/85/36/602198536.db2.gz IPLLTJLJCYYXEV-UHFFFAOYSA-N -1 0 345.345 3.575 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)OCc1csc(C2CCCC2)n1 ZINC000739232066 602212447 /nfs/dbraw/zinc/21/24/47/602212447.db2.gz KIAKKQSDOZNKMK-ZWNOBZJWSA-N -1 0 340.445 3.526 20 0 EHADRM CC1(NC(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)CCCC1 ZINC000828110776 602227242 /nfs/dbraw/zinc/22/72/42/602227242.db2.gz UHTOXSDWZZMQJU-UHFFFAOYSA-N -1 0 342.395 3.757 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000738945741 602238497 /nfs/dbraw/zinc/23/84/97/602238497.db2.gz SRRGGILKYYNFQO-GFCCVEGCSA-N -1 0 342.370 3.684 20 0 EHADRM Cc1nc(CN[C@@](C)(C(=O)[O-])C2CC2)oc1-c1ccc(Cl)cc1 ZINC000832998548 602238774 /nfs/dbraw/zinc/23/87/74/602238774.db2.gz YNDCYWLHZJSSRW-QGZVFWFLSA-N -1 0 334.803 3.646 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)c3cccc(OC(F)F)c3)ccc21 ZINC000740471661 602243121 /nfs/dbraw/zinc/24/31/21/602243121.db2.gz YTYQKDULUKDZRV-UHFFFAOYSA-N -1 0 348.305 3.581 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2ccc(-c3ccco3)s2)c2ccccc21 ZINC000833192533 602251138 /nfs/dbraw/zinc/25/11/38/602251138.db2.gz IHHJUIUUFLSZNK-LBPRGKRZSA-N -1 0 339.372 3.837 20 0 EHADRM C[C@@H](NC(=O)c1ccc(CNC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000739024195 602260818 /nfs/dbraw/zinc/26/08/18/602260818.db2.gz PRCPAWZDXUYTSV-LLVKDONJSA-N -1 0 332.787 3.599 20 0 EHADRM C[C@H]1CC/C(=C\C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)C1 ZINC000828208153 602261272 /nfs/dbraw/zinc/26/12/72/602261272.db2.gz ZTDQTWNPUNFEOU-UQRISPGASA-N -1 0 339.391 3.988 20 0 EHADRM CCc1ccc(CNC(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])s1 ZINC000739542988 602278686 /nfs/dbraw/zinc/27/86/86/602278686.db2.gz UUAGAECUOLGLAF-UHFFFAOYSA-N -1 0 345.424 3.673 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)NCCC3=CCCCC3)ccc21 ZINC000740418275 602279390 /nfs/dbraw/zinc/27/93/90/602279390.db2.gz RYGDWHGBLSATEZ-UHFFFAOYSA-N -1 0 329.400 3.739 20 0 EHADRM C[C@@H](Cc1cccs1)NC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000738947940 602281255 /nfs/dbraw/zinc/28/12/55/602281255.db2.gz INCKHEVWAOFSNE-NSHDSACASA-N -1 0 345.424 3.541 20 0 EHADRM O=C([O-])c1ccc(NCc2c(F)c(F)c(F)c(F)c2F)cc1F ZINC000833320707 602305693 /nfs/dbraw/zinc/30/56/93/602305693.db2.gz AGQMWSVZUVZPKG-UHFFFAOYSA-N -1 0 335.203 3.832 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)Cc2ccc(NC(=O)[O-])cc2)c1 ZINC000739795371 602306918 /nfs/dbraw/zinc/30/69/18/602306918.db2.gz HGBAMQIXDJHDBO-LBPRGKRZSA-N -1 0 328.368 3.665 20 0 EHADRM C[C@H]1CC[C@H](CC(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC000828220736 602312082 /nfs/dbraw/zinc/31/20/82/602312082.db2.gz CSMGUSKODGPNND-UWVGGRQHSA-N -1 0 327.327 3.751 20 0 EHADRM Cc1cc(C(=O)Nc2nc(CCCC(=O)[O-])cs2)ccc1Cl ZINC000317237485 602315782 /nfs/dbraw/zinc/31/57/82/602315782.db2.gz RWMZAFPYXBONNL-UHFFFAOYSA-N -1 0 338.816 3.765 20 0 EHADRM Cc1cc(NC(=O)N2CCC([C@@H]3CCCN3C(=O)[O-])CC2)ccc1F ZINC000740085550 602321960 /nfs/dbraw/zinc/32/19/60/602321960.db2.gz GASRGTHXHQMZSU-INIZCTEOSA-N -1 0 349.406 3.520 20 0 EHADRM CC[C@H](Cc1ccccc1)N(CC)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000499166681 602329210 /nfs/dbraw/zinc/32/92/10/602329210.db2.gz FKCAOJINDMRVQW-OKZBNKHCSA-N -1 0 331.456 3.747 20 0 EHADRM Cc1nc(CNC[C@H](NC(=O)[O-])c2ccc(C(C)C)cc2)cs1 ZINC000740223698 602335716 /nfs/dbraw/zinc/33/57/16/602335716.db2.gz LOHACNFLGDJHEZ-INIZCTEOSA-N -1 0 333.457 3.673 20 0 EHADRM CN(C(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ncc(C(=O)[O-])s1 ZINC000830465160 602341247 /nfs/dbraw/zinc/34/12/47/602341247.db2.gz PBCXFEYFFZDHSA-JXMROGBWSA-N -1 0 344.436 3.815 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)c(F)c1 ZINC000833319395 602352913 /nfs/dbraw/zinc/35/29/13/602352913.db2.gz KZDVXOJTPVEKRH-UHFFFAOYSA-N -1 0 344.273 3.570 20 0 EHADRM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000390976227 602356160 /nfs/dbraw/zinc/35/61/60/602356160.db2.gz DIEHGTCNHKMZLX-SECBINFHSA-N -1 0 337.734 3.583 20 0 EHADRM CC(C)(C)CN(Cc1ccccc1)C(=O)CC1CCN(C(=O)[O-])CC1 ZINC000738698358 602357923 /nfs/dbraw/zinc/35/79/23/602357923.db2.gz OMICLCSDVLXXOT-UHFFFAOYSA-N -1 0 346.471 3.841 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(Cl)cc3cccnc32)cc1F ZINC000761747944 602359407 /nfs/dbraw/zinc/35/94/07/602359407.db2.gz DOTRJUXHJFFXSM-UHFFFAOYSA-N -1 0 344.729 3.978 20 0 EHADRM O=C([O-])c1ccc(NC(=O)/C=C/c2ccc(Cl)s2)cc1F ZINC000224826850 602360337 /nfs/dbraw/zinc/36/03/37/602360337.db2.gz HXYWBVQLQKPQHT-ZZXKWVIFSA-N -1 0 325.748 3.891 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(-n3cccc3)c(F)c2)cc1F ZINC000833154226 602360475 /nfs/dbraw/zinc/36/04/75/602360475.db2.gz URRFOYWEPZBVGM-UHFFFAOYSA-N -1 0 342.301 3.706 20 0 EHADRM CC(C)c1ccc([C@H](CNC(=O)Cc2cccs2)NC(=O)[O-])cc1 ZINC000738876798 602361076 /nfs/dbraw/zinc/36/10/76/602361076.db2.gz LSRHVQLLSORKHK-INIZCTEOSA-N -1 0 346.452 3.539 20 0 EHADRM Cc1ccc(Cl)c(NC(=O)NC[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000323204503 602367676 /nfs/dbraw/zinc/36/76/76/602367676.db2.gz QALLNPFETOMWFL-ZDUSSCGKSA-N -1 0 332.787 3.638 20 0 EHADRM CN(C(=O)C1CCC(NC(=O)[O-])CC1)c1ccc2ccccc2c1 ZINC000739571801 602368274 /nfs/dbraw/zinc/36/82/74/602368274.db2.gz BITDAMWEFZDLPS-UHFFFAOYSA-N -1 0 326.396 3.629 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H]2CCc3cc(Cl)ccc32)cc1F ZINC000833153612 602371964 /nfs/dbraw/zinc/37/19/64/602371964.db2.gz NLJQITHLXFNCCT-HNNXBMFYSA-N -1 0 348.761 3.986 20 0 EHADRM Cn1cc(NC(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)cc1C(=O)[O-] ZINC000833049947 602375652 /nfs/dbraw/zinc/37/56/52/602375652.db2.gz YLSPLCHOULXQGF-HNNXBMFYSA-N -1 0 347.390 3.771 20 0 EHADRM COc1ccc(C)cc1[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000832252186 602376213 /nfs/dbraw/zinc/37/62/13/602376213.db2.gz HVWIBGOCHIZIMY-NSHDSACASA-N -1 0 346.358 3.724 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1cccc(F)c1 ZINC000826586058 602376951 /nfs/dbraw/zinc/37/69/51/602376951.db2.gz XBPHKRYQRFYRTP-UHFFFAOYSA-N -1 0 348.349 3.762 20 0 EHADRM Cn1cc(NC(=O)N(Cc2ccccc2)CC(C)(C)C)cc1C(=O)[O-] ZINC000833047347 602379355 /nfs/dbraw/zinc/37/93/55/602379355.db2.gz MIGVKBATBZQMOW-UHFFFAOYSA-N -1 0 343.427 3.804 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1F ZINC000325913874 602381174 /nfs/dbraw/zinc/38/11/74/602381174.db2.gz NKDMLNPPVPUEHJ-JTQLQIEISA-N -1 0 334.322 3.854 20 0 EHADRM CCC[C@H](NC(=O)[O-])C(=O)N(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000739302122 602381632 /nfs/dbraw/zinc/38/16/32/602381632.db2.gz IBMHQLMSUVFGKL-GWCFXTLKSA-N -1 0 346.349 3.661 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccccc1OC ZINC000828951260 602387316 /nfs/dbraw/zinc/38/73/16/602387316.db2.gz HURAWVDHBLWLNM-HNNXBMFYSA-N -1 0 346.358 3.805 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccn2Cc2ccccc2)cc1F ZINC000385367359 602393662 /nfs/dbraw/zinc/39/36/62/602393662.db2.gz MTRGSYWOMUCORE-UHFFFAOYSA-N -1 0 338.338 3.626 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccccc2OCC2CC2)cc1F ZINC000767200590 602394658 /nfs/dbraw/zinc/39/46/58/602394658.db2.gz LGCDEVVFBKCVLR-UHFFFAOYSA-N -1 0 329.327 3.565 20 0 EHADRM CC(C)(CNC(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)C(=O)[O-] ZINC000826559258 602396030 /nfs/dbraw/zinc/39/60/30/602396030.db2.gz MJLPBTPKGLRBCG-YRNVUSSQSA-N -1 0 349.736 3.513 20 0 EHADRM Cc1nc(-c2cccc(C(=O)N(CC(=O)[O-])C3CCCC3)c2)cs1 ZINC000621574339 602399679 /nfs/dbraw/zinc/39/96/79/602399679.db2.gz PDXPWMRBXZJSPZ-UHFFFAOYSA-N -1 0 344.436 3.588 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(CCn2ccc3ccccc32)n1 ZINC000738825519 602407222 /nfs/dbraw/zinc/40/72/22/602407222.db2.gz XENDAXNTUGPHJI-CQSZACIVSA-N -1 0 342.399 3.622 20 0 EHADRM Cc1[nH]c2ccccc2c1Cc1nc([C@H](CC(C)C)NC(=O)[O-])no1 ZINC000740036186 602408723 /nfs/dbraw/zinc/40/87/23/602408723.db2.gz XJCVDURFRIXGBT-HNNXBMFYSA-N -1 0 342.399 3.805 20 0 EHADRM Cc1cc(-c2nc([C@H](CC(C)C)NC(=O)[O-])no2)c2ccccc2n1 ZINC000740047037 602409234 /nfs/dbraw/zinc/40/92/34/602409234.db2.gz BHLZUKLIHCJQED-HNNXBMFYSA-N -1 0 340.383 3.948 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc([C@@H]2C[C@H]2c2ccc(F)cc2)n1 ZINC000738814510 602409554 /nfs/dbraw/zinc/40/95/54/602409554.db2.gz CLCNRBNARZVCBT-MJBXVCDLSA-N -1 0 333.363 3.835 20 0 EHADRM Cc1cccc(C)c1OCc1nc([C@H](CC(C)C)NC(=O)[O-])no1 ZINC000740165608 602410166 /nfs/dbraw/zinc/41/01/66/602410166.db2.gz FWOSUNTUCUZFRZ-ZDUSSCGKSA-N -1 0 333.388 3.620 20 0 EHADRM O=C([O-])NC1(c2noc(-c3cc(Cl)ccc3F)n2)CCCC1 ZINC000740547237 602412923 /nfs/dbraw/zinc/41/29/23/602412923.db2.gz AMXBTEZSUOOAOZ-UHFFFAOYSA-N -1 0 325.727 3.566 20 0 EHADRM Cc1cc(C)c(OCc2nc(C3(NC(=O)[O-])CCCC3)no2)c(C)c1 ZINC000740062658 602414030 /nfs/dbraw/zinc/41/40/30/602414030.db2.gz DRNAOAQPBCMCGE-UHFFFAOYSA-N -1 0 345.399 3.611 20 0 EHADRM O=C([O-])NC1(c2noc(-c3cc4ccc(Cl)cc4[nH]3)n2)CCC1 ZINC000740549140 602418194 /nfs/dbraw/zinc/41/81/94/602418194.db2.gz YZIPKYNZKHYMQY-UHFFFAOYSA-N -1 0 332.747 3.518 20 0 EHADRM Cc1oc(-c2ccccc2)nc1COc1cccc(CNC(=O)[O-])c1 ZINC000740270519 602425986 /nfs/dbraw/zinc/42/59/86/602425986.db2.gz IENDJBZLSDMVNN-UHFFFAOYSA-N -1 0 338.363 3.997 20 0 EHADRM O=C([O-])NCc1cccc(OCc2cc(-c3ccc(F)cc3)no2)c1 ZINC000740681246 602426637 /nfs/dbraw/zinc/42/66/37/602426637.db2.gz BBOZZRFTXQMTLL-UHFFFAOYSA-N -1 0 342.326 3.827 20 0 EHADRM COc1ccc(OC)c(NC(=S)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000738049394 602431103 /nfs/dbraw/zinc/43/11/03/602431103.db2.gz WWISQYNZJFIKIC-UHFFFAOYSA-N -1 0 347.396 3.603 20 0 EHADRM Cc1ccc(-c2nc(CN3CCC([C@@H](C)NC(=O)[O-])CC3)cs2)o1 ZINC000740092508 602448636 /nfs/dbraw/zinc/44/86/36/602448636.db2.gz JSIYCIPLHWIYEY-GFCCVEGCSA-N -1 0 349.456 3.580 20 0 EHADRM CCN(Cc1ccccc1NC(=O)C[C@H](C)n1cccc1)C(=O)[O-] ZINC000739443240 602449098 /nfs/dbraw/zinc/44/90/98/602449098.db2.gz IKKFXKSIOFRUEO-AWEZNQCLSA-N -1 0 329.400 3.578 20 0 EHADRM C[C@H](CCc1ccccc1)NC(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000738910297 602451042 /nfs/dbraw/zinc/45/10/42/602451042.db2.gz WIVPALWUUGEPLT-CQSZACIVSA-N -1 0 341.411 3.597 20 0 EHADRM C[C@@H](Cc1cccs1)NC(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000738949327 602457837 /nfs/dbraw/zinc/45/78/37/602457837.db2.gz NIMSXCPOHAYEFC-BBRMVZONSA-N -1 0 346.452 3.584 20 0 EHADRM CN(Cc1ccccc1Cl)C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739709059 602481568 /nfs/dbraw/zinc/48/15/68/602481568.db2.gz DAXGVXOUPASQII-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(F)c(NC(=O)[O-])c2)Cc2ccccc21 ZINC000739164672 602481652 /nfs/dbraw/zinc/48/16/52/602481652.db2.gz FREZTZTXTDIZNG-NSHDSACASA-N -1 0 328.343 3.675 20 0 EHADRM CCn1c2ccccc2nc1NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739565614 602482203 /nfs/dbraw/zinc/48/22/03/602482203.db2.gz YOYZPZWCRQGGCR-UHFFFAOYSA-N -1 0 342.330 3.538 20 0 EHADRM CC(C)Oc1ccc(CNC(=O)c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000738867719 602483664 /nfs/dbraw/zinc/48/36/64/602483664.db2.gz VQPWULSUFLAVOV-UHFFFAOYSA-N -1 0 346.358 3.633 20 0 EHADRM CCCCN(CC(F)(F)F)C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739331126 602484601 /nfs/dbraw/zinc/48/46/01/602484601.db2.gz VVIVWLXFYOCHHM-UHFFFAOYSA-N -1 0 336.285 3.720 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CNC(=O)c2ccc(F)c(NC(=O)[O-])c2)o1 ZINC000739086013 602485171 /nfs/dbraw/zinc/48/51/71/602485171.db2.gz DENJUAIBRYSSHE-BXKDBHETSA-N -1 0 332.331 3.562 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2cccc(-c3cnco3)c2)ccc1F ZINC000740700123 602486111 /nfs/dbraw/zinc/48/61/11/602486111.db2.gz ZZTWCBAEKZEYRO-UHFFFAOYSA-N -1 0 341.298 3.823 20 0 EHADRM C[C@H](NC(=O)CC[C@H](NC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000738962409 602488271 /nfs/dbraw/zinc/48/82/71/602488271.db2.gz WFQUZVWSWKMREH-YOEHRIQHSA-N -1 0 326.396 3.653 20 0 EHADRM O=C([O-])N1CCc2ccc(NC(=O)c3cccc4cccnc43)cc2C1 ZINC000740468014 602488548 /nfs/dbraw/zinc/48/85/48/602488548.db2.gz YMFOAAZCRUNNPC-UHFFFAOYSA-N -1 0 347.374 3.523 20 0 EHADRM O=C([O-])N1CCc2ccc(NC(=O)c3ccc(F)cc3Cl)cc2C1 ZINC000740467870 602489208 /nfs/dbraw/zinc/48/92/08/602489208.db2.gz WYVFUKJLTJGQKR-UHFFFAOYSA-N -1 0 348.761 3.768 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cccn2Cc2cccs2)cc1 ZINC000740712117 602504011 /nfs/dbraw/zinc/50/40/11/602504011.db2.gz SSSNAXFIVDRCFT-UHFFFAOYSA-N -1 0 341.392 3.940 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)Cc3cccc(Cl)c3)ccc21 ZINC000740383763 602510346 /nfs/dbraw/zinc/51/03/46/602510346.db2.gz CBHRPIAFPPILAF-UHFFFAOYSA-N -1 0 344.798 3.952 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)N2CCCC3(CCCCC3)C2)cc1 ZINC000740671781 602549243 /nfs/dbraw/zinc/54/92/43/602549243.db2.gz UOKFPDXMUCYRKY-UHFFFAOYSA-N -1 0 330.428 3.641 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)Nc3cccc(F)c3)ccc21 ZINC000740467463 602554629 /nfs/dbraw/zinc/55/46/29/602554629.db2.gz AVZLQFVHDYDKLO-UHFFFAOYSA-N -1 0 329.331 3.900 20 0 EHADRM CN(Cc1cccc(NC(=O)N(C)Cc2ccc(F)cc2)c1)C(=O)[O-] ZINC000739707600 602567143 /nfs/dbraw/zinc/56/71/43/602567143.db2.gz VTAFYMMNRDUPKJ-UHFFFAOYSA-N -1 0 345.374 3.599 20 0 EHADRM O=C([O-])NC[C@@H]1CCCN(C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000740626128 602580579 /nfs/dbraw/zinc/58/05/79/602580579.db2.gz UTZMACFTQNNHOF-VIFPVBQESA-N -1 0 346.214 3.505 20 0 EHADRM Cc1ccccc1C[C@@H](C)NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000740182703 602600326 /nfs/dbraw/zinc/60/03/26/602600326.db2.gz ILCCMEKMMZNVOP-CYBMUJFWSA-N -1 0 327.384 3.838 20 0 EHADRM CCN(C(=O)Nc1ccc(NC(=O)[O-])c(OC)c1)C1CCCCC1 ZINC000739382040 602600474 /nfs/dbraw/zinc/60/04/74/602600474.db2.gz OISDIAIQAXVXAZ-UHFFFAOYSA-N -1 0 335.404 3.972 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N2CCC[C@@H]2c2cccnc2)cc1 ZINC000740710737 602602639 /nfs/dbraw/zinc/60/26/39/602602639.db2.gz YHBYQOXEEAVFJL-OAHLLOKOSA-N -1 0 326.356 3.541 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NC2(c3ccccc3)CCC2)cc1 ZINC000740710609 602603655 /nfs/dbraw/zinc/60/36/55/602603655.db2.gz VFJWMWQIHOWIMC-UHFFFAOYSA-N -1 0 325.368 3.977 20 0 EHADRM C[C@H](Cc1ccccc1F)NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738945482 602604052 /nfs/dbraw/zinc/60/40/52/602604052.db2.gz AQGFXCQVLMYCTQ-LLVKDONJSA-N -1 0 331.347 3.668 20 0 EHADRM C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739099138 602605941 /nfs/dbraw/zinc/60/59/41/602605941.db2.gz LFYSPDISENHEMT-DOMZBBRYSA-N -1 0 331.416 3.817 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)N3CCc4ccccc43)ccc21 ZINC000740524516 602606345 /nfs/dbraw/zinc/60/63/45/602606345.db2.gz XLATWBPQZWBDLL-UHFFFAOYSA-N -1 0 337.379 3.712 20 0 EHADRM CCc1ccsc1C(=O)N1CCCc2cc(CNC(=O)[O-])ccc21 ZINC000739551711 602646302 /nfs/dbraw/zinc/64/63/02/602646302.db2.gz XRYBWGBGBPTZQW-UHFFFAOYSA-N -1 0 344.436 3.671 20 0 EHADRM CC(C)c1ccc(S(=O)(=O)Nc2ccccc2NC(=O)[O-])cc1 ZINC000738875415 602653073 /nfs/dbraw/zinc/65/30/73/602653073.db2.gz HTPABEWBHQUYLI-UHFFFAOYSA-N -1 0 334.397 3.701 20 0 EHADRM CCCc1ccccc1NC(=O)NCC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739377826 602654392 /nfs/dbraw/zinc/65/43/92/602654392.db2.gz DMGRIQUWMUCKNK-AWEZNQCLSA-N -1 0 333.432 3.541 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000738946296 602656467 /nfs/dbraw/zinc/65/64/67/602656467.db2.gz DQPHAOZTKABIJN-CQSZACIVSA-N -1 0 326.396 3.614 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)OCc1cccnc1Cl)c1ccccc1 ZINC000740541111 602657800 /nfs/dbraw/zinc/65/78/00/602657800.db2.gz WKLGZJAEBCBTQN-CQSZACIVSA-N -1 0 348.786 3.567 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000738663504 602695682 /nfs/dbraw/zinc/69/56/82/602695682.db2.gz INZBGQKLGIGBOS-CHWSQXEVSA-N -1 0 332.306 3.797 20 0 EHADRM C[C@H](NC(=O)[O-])C1CCN(C(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000739078310 602753822 /nfs/dbraw/zinc/75/38/22/602753822.db2.gz GXZAAQBDUNYDCV-QLFBSQMISA-N -1 0 338.492 3.734 20 0 EHADRM CCCN(C(=O)C[C@H]1CCCN1C(=O)[O-])[C@H](C)c1ccccc1OC ZINC000826858430 602761828 /nfs/dbraw/zinc/76/18/28/602761828.db2.gz NUBORMFXGHHVJP-HUUCEWRRSA-N -1 0 348.443 3.527 20 0 EHADRM Cc1cccc(CN(CC(C)C)C(=O)c2ccc(CNC(=O)[O-])o2)c1 ZINC000830497682 602763646 /nfs/dbraw/zinc/76/36/46/602763646.db2.gz JULBGGYZTBAASI-UHFFFAOYSA-N -1 0 344.411 3.654 20 0 EHADRM CC(C)(CCC(=O)N(Cc1ccco1)Cc1ccccc1)NC(=O)[O-] ZINC000738740018 602784512 /nfs/dbraw/zinc/78/45/12/602784512.db2.gz QIFGXZBOSNSRBR-UHFFFAOYSA-N -1 0 344.411 3.635 20 0 EHADRM O=C([O-])NC[C@H]1CCCC[C@H]1NC(=O)c1cccc(Cl)c1Cl ZINC000740634487 602789040 /nfs/dbraw/zinc/78/90/40/602789040.db2.gz RAEZYMIPTKPPLC-BXKDBHETSA-N -1 0 345.226 3.550 20 0 EHADRM O=C([O-])NC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(Cl)c1Cl ZINC000740634490 602789227 /nfs/dbraw/zinc/78/92/27/602789227.db2.gz RAEZYMIPTKPPLC-SKDRFNHKSA-N -1 0 345.226 3.550 20 0 EHADRM O=C([O-])NC[C@H]1CCCC[C@@H]1NC(=O)c1cc(Cl)ccc1Cl ZINC000740636722 602792626 /nfs/dbraw/zinc/79/26/26/602792626.db2.gz WLPXNMSSUOSWKB-RNCFNFMXSA-N -1 0 345.226 3.550 20 0 EHADRM Cc1ccc(-c2nc(CN3CC[C@@H](NC(=O)[O-])[C@@H](C)C3)cs2)cc1 ZINC000740092300 602795211 /nfs/dbraw/zinc/79/52/11/602795211.db2.gz ASCDLTABRJDIOP-XJKSGUPXSA-N -1 0 345.468 3.597 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N[C@H](C)[C@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000739544576 602801695 /nfs/dbraw/zinc/80/16/95/602801695.db2.gz JLODLWMJGUEXNY-RKVPGOIHSA-N -1 0 346.471 3.637 20 0 EHADRM Cc1csc(-c2cccc(OC(=O)CCC(C)(C)NC(=O)[O-])c2)n1 ZINC000740203358 602801920 /nfs/dbraw/zinc/80/19/20/602801920.db2.gz GITRHHYBZQOASV-UHFFFAOYSA-N -1 0 348.424 3.850 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)N2CCCN(C(=O)[O-])CC2)cc1 ZINC000737650757 602824338 /nfs/dbraw/zinc/82/43/38/602824338.db2.gz NATUIUBYLWPWSL-HNNXBMFYSA-N -1 0 332.444 3.516 20 0 EHADRM CCCOc1ccc(CCC(=O)Nc2ccc(NC(=O)[O-])nc2)cc1 ZINC000826935328 602828975 /nfs/dbraw/zinc/82/89/75/602828975.db2.gz NECPHTRRYUIENL-UHFFFAOYSA-N -1 0 343.383 3.532 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)Nc2cccc(SC(F)F)c2)o1 ZINC000832705448 602832044 /nfs/dbraw/zinc/83/20/44/602832044.db2.gz KSSZBQAOYWJTJV-UHFFFAOYSA-N -1 0 342.323 3.614 20 0 EHADRM Cc1ccc(C(=O)Nc2cccc(-c3ncc[nH]3)c2)cc1NC(=O)[O-] ZINC000830233607 602843370 /nfs/dbraw/zinc/84/33/70/602843370.db2.gz BUCWDCNDXIOIQK-UHFFFAOYSA-N -1 0 336.351 3.727 20 0 EHADRM CCCCc1cc(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)n[nH]1 ZINC000739340529 602853973 /nfs/dbraw/zinc/85/39/73/602853973.db2.gz DVLOLADTPJWOHN-UHFFFAOYSA-N -1 0 336.779 3.748 20 0 EHADRM CCC[C@@H](NC(=O)c1ccc(C)c(NC(=O)[O-])c1)c1ccccn1 ZINC000826763452 602855033 /nfs/dbraw/zinc/85/50/33/602855033.db2.gz CLSNOJTWARZWEA-OAHLLOKOSA-N -1 0 327.384 3.751 20 0 EHADRM C[C@]1(c2ccccc2)CCCN(C(=O)c2cccc(NC(=O)[O-])c2)C1 ZINC000736742236 602855282 /nfs/dbraw/zinc/85/52/82/602855282.db2.gz PSSOOEAJBSTSDB-FQEVSTJZSA-N -1 0 338.407 3.970 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)Cc3cc(F)ccc3F)ccc21 ZINC000831552958 602860371 /nfs/dbraw/zinc/86/03/71/602860371.db2.gz PDAYKORJYFKAGG-UHFFFAOYSA-N -1 0 346.333 3.577 20 0 EHADRM CC(C)c1ccc(C(C)(C)NC(=O)c2ccc(CNC(=O)[O-])o2)cc1 ZINC000824464645 602861339 /nfs/dbraw/zinc/86/13/39/602861339.db2.gz TZRTVQXHBFIVHP-UHFFFAOYSA-N -1 0 344.411 3.836 20 0 EHADRM C[C@H](NC(=O)c1ccc(CNC(=O)[O-])o1)c1csc2ccccc21 ZINC000825458646 602870351 /nfs/dbraw/zinc/87/03/51/602870351.db2.gz JPLUHHIPXYKAPV-JTQLQIEISA-N -1 0 344.392 3.753 20 0 EHADRM Cc1cc2cc(C(=O)N3CCC([C@H](C)NC(=O)[O-])CC3)oc2cc1C ZINC000830143797 602878517 /nfs/dbraw/zinc/87/85/17/602878517.db2.gz OIGFUKCKTCZHFF-ZDUSSCGKSA-N -1 0 344.411 3.558 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@H](c3ccccc3F)C2)cc1NC(=O)[O-] ZINC000830187287 602882456 /nfs/dbraw/zinc/88/24/56/602882456.db2.gz OTCAQIOFUNTBNY-AWEZNQCLSA-N -1 0 342.370 3.854 20 0 EHADRM CCCCCC[C@](C)(CC)C(=O)N1CCC(N(C)C(=O)[O-])CC1 ZINC000826820311 602883334 /nfs/dbraw/zinc/88/33/34/602883334.db2.gz KZDFAHSLJNKICZ-SFHVURJKSA-N -1 0 326.481 3.974 20 0 EHADRM CC[C@@H](C)[C@H]1CCCCN1C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739235463 602899869 /nfs/dbraw/zinc/89/98/69/602899869.db2.gz JUSVFADNNPXRRJ-CZUORRHYSA-N -1 0 333.432 3.887 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000824818413 602905489 /nfs/dbraw/zinc/90/54/89/602905489.db2.gz VGDNEINTEUHZIQ-CYBMUJFWSA-N -1 0 344.386 3.801 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)OC[C@H]2CC2(Cl)Cl)c(Cl)c1 ZINC000740700823 602907350 /nfs/dbraw/zinc/90/73/50/602907350.db2.gz BLKKTJRXKIDFRC-ZCFIWIBFSA-N -1 0 338.574 3.781 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cccc(Cl)c2Cl)CC[C@@H]1NC(=O)[O-] ZINC000739144174 602908307 /nfs/dbraw/zinc/90/83/07/602908307.db2.gz INVJSRQWCRJVIP-WPRPVWTQSA-N -1 0 346.214 3.503 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC[C@@H]1NC(=O)[O-] ZINC000739150169 602908758 /nfs/dbraw/zinc/90/87/58/602908758.db2.gz VMPPKKXBHUPMSR-PELKAZGASA-N -1 0 346.214 3.503 20 0 EHADRM CCc1ccccc1CNC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739548524 602924672 /nfs/dbraw/zinc/92/46/72/602924672.db2.gz SIDIXRQERYSZRQ-UHFFFAOYSA-N -1 0 331.347 3.800 20 0 EHADRM O=C([O-])NC1(c2noc(CC/C=C/c3ccccc3)n2)CCCC1 ZINC000740549609 602930929 /nfs/dbraw/zinc/93/09/29/602930929.db2.gz BSLXEHHPISSIML-ONNFQVAWSA-N -1 0 327.384 3.753 20 0 EHADRM C[C@@H](NC(=O)CC(C)(C)NC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000738956824 602936838 /nfs/dbraw/zinc/93/68/38/602936838.db2.gz GUGVKJUSPVIVKO-MRVPVSSYSA-N -1 0 333.215 3.607 20 0 EHADRM Cc1ccc(C(=O)NCC(C)(C)c2cccs2)cc1NC(=O)[O-] ZINC000830211415 602938896 /nfs/dbraw/zinc/93/88/96/602938896.db2.gz QBYKLBGWZAKJHY-UHFFFAOYSA-N -1 0 332.425 3.854 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NC[C@H](C)C(C)(C)C ZINC000829183183 602943364 /nfs/dbraw/zinc/94/33/64/602943364.db2.gz XAFGLGKTFLPCOD-VIFPVBQESA-N -1 0 342.823 3.851 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(C(=O)CC(C)(C)NC(=O)[O-])C1CC1 ZINC000739056289 602950033 /nfs/dbraw/zinc/95/00/33/602950033.db2.gz DLFVJFRZYSYEPG-NSHDSACASA-N -1 0 338.835 3.828 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(-c2ccccc2)cc1F ZINC000740571475 602952363 /nfs/dbraw/zinc/95/23/63/602952363.db2.gz PIJHIHJYYHAUDB-GOEBONIOSA-N -1 0 342.370 3.868 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)Cc2ccc(OC(F)F)cc2)cc1 ZINC000738670845 602961429 /nfs/dbraw/zinc/96/14/29/602961429.db2.gz VWEVTOUHUSUEKZ-UHFFFAOYSA-N -1 0 337.278 3.526 20 0 EHADRM CC(C)Oc1cccc(CC(=O)Oc2ccc(NC(=O)[O-])cc2)c1 ZINC000737644561 602967960 /nfs/dbraw/zinc/96/79/60/602967960.db2.gz YCTBPFMCIBXMPB-UHFFFAOYSA-N -1 0 329.352 3.712 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@H](Cc3ccccc3)C2)cc1NC(=O)[O-] ZINC000830186439 602990136 /nfs/dbraw/zinc/99/01/36/602990136.db2.gz HRHOSHWLBYQLQM-MRXNPFEDSA-N -1 0 338.407 3.790 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(-c2cccc3cccnc32)n1 ZINC000738817456 602998955 /nfs/dbraw/zinc/99/89/55/602998955.db2.gz RVXJRNZTDFGZJT-ZDUSSCGKSA-N -1 0 326.356 3.640 20 0 EHADRM Cc1cccc([C@H](C)CNC(=O)c2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000740157471 603012734 /nfs/dbraw/zinc/01/27/34/603012734.db2.gz HLANNBTWPMUGDZ-GFCCVEGCSA-N -1 0 330.359 3.758 20 0 EHADRM CCc1ccc(NC(=O)CNc2cc(NC(=O)[O-])ccc2F)cc1 ZINC000739543760 603019605 /nfs/dbraw/zinc/01/96/05/603019605.db2.gz XNWVRHHNOGYHPT-UHFFFAOYSA-N -1 0 331.347 3.529 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)CC(C)(C)NC(=O)[O-])ccc2o1 ZINC000738736070 603020186 /nfs/dbraw/zinc/02/01/86/603020186.db2.gz UETGCDUVNKUHQF-UHFFFAOYSA-N -1 0 333.388 3.500 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N2CCC[C@H]2c2cccnc2)c1 ZINC000740707659 603033906 /nfs/dbraw/zinc/03/39/06/603033906.db2.gz SEJGFGWWSDDYKA-HNNXBMFYSA-N -1 0 344.346 3.680 20 0 EHADRM C[C@H](Cc1cccs1)NC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000738948747 603035730 /nfs/dbraw/zinc/03/57/30/603035730.db2.gz KQELRMOKWRHHMV-SECBINFHSA-N -1 0 337.376 3.730 20 0 EHADRM Cc1csc([C@@H](C)NC(=O)Nc2cc(NC(=O)[O-])ccc2F)n1 ZINC000740205934 603038473 /nfs/dbraw/zinc/03/84/73/603038473.db2.gz SFWNCBNDLAOTPY-MRVPVSSYSA-N -1 0 338.364 3.563 20 0 EHADRM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)CCC(C)(C)NC(=O)[O-])C1 ZINC000739080069 603038813 /nfs/dbraw/zinc/03/88/13/603038813.db2.gz BHGHWNRDMJLSPX-IUODEOHRSA-N -1 0 336.407 3.562 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N[C@H]2CCCc3occc32)c1 ZINC000740707015 603039882 /nfs/dbraw/zinc/03/98/82/603039882.db2.gz LFTPLDRJSYOQEI-LBPRGKRZSA-N -1 0 333.319 3.708 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N[C@H]2C[C@H]2c2cccc(F)c2)c1 ZINC000740707389 603040221 /nfs/dbraw/zinc/04/02/21/603040221.db2.gz PDSAIJMATGVURF-JSGCOSHPSA-N -1 0 347.321 3.732 20 0 EHADRM CC(C)N(Cc1ccccn1)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000738853282 603040683 /nfs/dbraw/zinc/04/06/83/603040683.db2.gz NSDCNLPAKAUWQO-UHFFFAOYSA-N -1 0 346.362 3.753 20 0 EHADRM Cc1cc(C(=O)Oc2ccc(N(C)C(=O)[O-])cc2)c2ccccc2n1 ZINC000829980926 603041420 /nfs/dbraw/zinc/04/14/20/603041420.db2.gz SHSMQPOQNRUWOY-UHFFFAOYSA-N -1 0 336.347 3.877 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)c2cc(F)c(F)cc2Cl)cc1 ZINC000827914431 603046346 /nfs/dbraw/zinc/04/63/46/603046346.db2.gz SUWUHIOQVKJDFJ-UHFFFAOYSA-N -1 0 341.697 3.952 20 0 EHADRM COc1cccc([C@@H]2C[C@H]2C(=O)Oc2ccc(N(C)C(=O)[O-])cc2)c1 ZINC000829550952 603046942 /nfs/dbraw/zinc/04/69/42/603046942.db2.gz VMKQQSBOSGHTQV-DLBZAZTESA-N -1 0 341.363 3.519 20 0 EHADRM COc1cccc([C@@H](C)C(=O)Oc2ccc(N(C)C(=O)[O-])cc2)c1 ZINC000829544450 603052005 /nfs/dbraw/zinc/05/20/05/603052005.db2.gz VZGWXCWATRKMIQ-GFCCVEGCSA-N -1 0 329.352 3.519 20 0 EHADRM CC(C)N(CCC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1F)C(=O)[O-] ZINC000825853113 603061005 /nfs/dbraw/zinc/06/10/05/603061005.db2.gz UBPSBAJWTWFYKY-XJKSGUPXSA-N -1 0 336.407 3.514 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)C1 ZINC000825851517 603061042 /nfs/dbraw/zinc/06/10/42/603061042.db2.gz IUJWJGHGIKTJQQ-VWPFQQQWSA-N -1 0 348.418 3.562 20 0 EHADRM C[C@@H](CNC(=O)c1ccc(NC(=O)[O-])cc1)Sc1ccccc1 ZINC000824973390 603063039 /nfs/dbraw/zinc/06/30/39/603063039.db2.gz JGVSUFMOEFTWKB-LBPRGKRZSA-N -1 0 330.409 3.687 20 0 EHADRM Cc1csc([C@H]2CCCN(C(=O)c3cccc(NC(=O)[O-])c3)C2)n1 ZINC000738816427 603073456 /nfs/dbraw/zinc/07/34/56/603073456.db2.gz LKSBJACNLMWQRG-ZDUSSCGKSA-N -1 0 345.424 3.561 20 0 EHADRM CCC[C@@H](NC(=O)[O-])C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000739321107 603080635 /nfs/dbraw/zinc/08/06/35/603080635.db2.gz UFPXRYIRCSAVAA-MRXNPFEDSA-N -1 0 334.416 3.521 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NCC(=O)Nc2ccccc2Cl)cc1 ZINC000739016620 603103181 /nfs/dbraw/zinc/10/31/81/603103181.db2.gz JIXWWCILTFJHCV-NSHDSACASA-N -1 0 347.802 3.719 20 0 EHADRM COc1ccc(Cl)cc1N(C)C(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000739906146 603103748 /nfs/dbraw/zinc/10/37/48/603103748.db2.gz IIGLEKLYZGLGHQ-UHFFFAOYSA-N -1 0 348.786 3.644 20 0 EHADRM CC(C)CCc1noc(CNc2ccc([C@@H](C)NC(=O)[O-])cc2)n1 ZINC000738818767 603104591 /nfs/dbraw/zinc/10/45/91/603104591.db2.gz BYTTWFHMHYQYHN-GFCCVEGCSA-N -1 0 332.404 3.599 20 0 EHADRM CCC[C@](C)(NC(=O)[O-])C(=O)O[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000739297717 603104918 /nfs/dbraw/zinc/10/49/18/603104918.db2.gz RSHHADIRLQTPPD-XIKOKIGWSA-N -1 0 346.383 3.772 20 0 EHADRM O=C([O-])Nc1cc(C(=O)NCc2coc3ccccc23)ccc1F ZINC000740697100 603105496 /nfs/dbraw/zinc/10/54/96/603105496.db2.gz ZJLXQPZTICSSTP-UHFFFAOYSA-N -1 0 328.299 3.592 20 0 EHADRM C[C@@H](Oc1ccc(NC(=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1 ZINC000825618029 603157321 /nfs/dbraw/zinc/15/73/21/603157321.db2.gz UMDADRDSEFRUEF-SNVBAGLBSA-N -1 0 334.759 3.836 20 0 EHADRM CN(Cc1ccc2ccccc2c1)C(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739712478 603163434 /nfs/dbraw/zinc/16/34/34/603163434.db2.gz BHRZKPKDRVRVGC-ZWKOTPCHSA-N -1 0 340.423 3.625 20 0 EHADRM C[C@@H]1CN(C(=S)Nc2ccc3ccccc3c2)CC[C@H]1NC(=O)[O-] ZINC000739177792 603176290 /nfs/dbraw/zinc/17/62/90/603176290.db2.gz PIXXWFNBNCELIU-MLGOLLRUSA-N -1 0 343.452 3.515 20 0 EHADRM CSc1ccc(O[C@@H](C)C(=O)Nc2ccccc2NC(=O)[O-])cc1 ZINC000740018301 603178019 /nfs/dbraw/zinc/17/80/19/603178019.db2.gz BDDLEOGHPONNKK-NSHDSACASA-N -1 0 346.408 3.904 20 0 EHADRM Cc1cccc(C2(C(=O)Nc3ccc([C@H](C)NC(=O)[O-])cc3)CC2)c1 ZINC000830494065 603177971 /nfs/dbraw/zinc/17/79/71/603177971.db2.gz XAUBFGRYLQVKLZ-AWEZNQCLSA-N -1 0 338.407 3.994 20 0 EHADRM O=C([O-])N1CCc2c(cccc2NC(=O)CCCc2cccs2)C1 ZINC000740354063 603178626 /nfs/dbraw/zinc/17/86/26/603178626.db2.gz GPRAAOSKJROJOE-UHFFFAOYSA-N -1 0 344.436 3.746 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cc1 ZINC000825414749 603182316 /nfs/dbraw/zinc/18/23/16/603182316.db2.gz BCOMPKCQLZGZIX-GFCCVEGCSA-N -1 0 342.370 3.825 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cc(Cl)ccc2Cl)CC[C@@H]1NC(=O)[O-] ZINC000739143297 603184030 /nfs/dbraw/zinc/18/40/30/603184030.db2.gz BTARGMSYWXJWCH-KWQFWETISA-N -1 0 346.214 3.503 20 0 EHADRM Cc1cccc2sc(C(=O)N(C)CCCNC(=O)[O-])c(Cl)c21 ZINC000740179489 603185610 /nfs/dbraw/zinc/18/56/10/603185610.db2.gz WOANWWCQKXLZGF-UHFFFAOYSA-N -1 0 340.832 3.593 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)Nc2scnc2-c2ccccc2)C1 ZINC000740561868 603186937 /nfs/dbraw/zinc/18/69/37/603186937.db2.gz DVGLTBPGMVREAE-QWHCGFSZSA-N -1 0 345.424 3.575 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@H](C(=O)Nc2cccc(SC(F)F)c2)C1 ZINC000740568480 603194318 /nfs/dbraw/zinc/19/43/18/603194318.db2.gz UIVNRZCPOCUYFH-UWVGGRQHSA-N -1 0 344.383 3.766 20 0 EHADRM COc1cccc([C@@H](C)C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)c1 ZINC000829543800 603195663 /nfs/dbraw/zinc/19/56/63/603195663.db2.gz PNKAVLLUFYOEJE-CHWSQXEVSA-N -1 0 342.395 3.766 20 0 EHADRM Cc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1NC(=O)[O-] ZINC000830206231 603208626 /nfs/dbraw/zinc/20/86/26/603208626.db2.gz YALSJODMYFNQQJ-UHFFFAOYSA-N -1 0 328.412 3.784 20 0 EHADRM Cc1ccc(C)c(NC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000830267476 603208713 /nfs/dbraw/zinc/20/87/13/603208713.db2.gz DVMVQZKRAPARRL-WMLDXEAASA-N -1 0 326.396 3.887 20 0 EHADRM CN(C(=O)c1ccc(NC(=O)[O-])cc1Cl)C1Cc2ccccc2C1 ZINC000739594236 603229453 /nfs/dbraw/zinc/22/94/53/603229453.db2.gz TWRDQJDLMMMIDH-UHFFFAOYSA-N -1 0 344.798 3.669 20 0 EHADRM C[C@@H](NC(=O)c1ccc(CNC(=O)[O-])o1)c1ccc2ccccc2c1 ZINC000825460103 603235084 /nfs/dbraw/zinc/23/50/84/603235084.db2.gz XBIGYQCVMILMDG-GFCCVEGCSA-N -1 0 338.363 3.691 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=S)NCCc2ccccc2)cc1 ZINC000825449580 603239260 /nfs/dbraw/zinc/23/92/60/603239260.db2.gz UIDXCTZBRZUFCZ-ZDUSSCGKSA-N -1 0 343.452 3.544 20 0 EHADRM COc1ccc(NC(=S)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1 ZINC000829474466 603240859 /nfs/dbraw/zinc/24/08/59/603240859.db2.gz JJRFXLJWPNEJFM-LLVKDONJSA-N -1 0 345.424 3.833 20 0 EHADRM CN(Cc1csc2ccccc12)C(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739717583 603241492 /nfs/dbraw/zinc/24/14/92/603241492.db2.gz OYNOAGZHSJCHQW-OCCSQVGLSA-N -1 0 346.452 3.686 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)c2ccc(NC(=O)[O-])cc2Cl)cs1 ZINC000740217519 603244399 /nfs/dbraw/zinc/24/43/99/603244399.db2.gz LDOYRUCADDRHFB-SSDOTTSWSA-N -1 0 339.804 3.686 20 0 EHADRM CCc1cccc(C)c1NC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)[O-] ZINC000827594948 603244987 /nfs/dbraw/zinc/24/49/87/603244987.db2.gz JOGUUURPZJPBFZ-LSDHHAIUSA-N -1 0 333.432 3.505 20 0 EHADRM Cc1ccc(NC(=O)[C@H](C)[C@@H](NC(=O)[O-])c2ccccc2)c(F)c1 ZINC000830352863 603255900 /nfs/dbraw/zinc/25/59/00/603255900.db2.gz KUSXNUNRIMXAOY-MLGOLLRUSA-N -1 0 330.359 3.718 20 0 EHADRM Cc1cc(C)c(NC(=O)N[C@H]2CCC[C@H]2CNC(=O)[O-])c(Cl)c1 ZINC000829991547 603256193 /nfs/dbraw/zinc/25/61/93/603256193.db2.gz UVPQMYYLCBFXPZ-AAEUAGOBSA-N -1 0 339.823 3.515 20 0 EHADRM CC(C)c1ccc([C@H](CNC(=O)[C@@H](C)c2ccco2)NC(=O)[O-])cc1 ZINC000738879935 603258899 /nfs/dbraw/zinc/25/88/99/603258899.db2.gz YDPBTZXASUWTPW-BBRMVZONSA-N -1 0 344.411 3.632 20 0 EHADRM CC(C)c1cccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1 ZINC000824470085 603259108 /nfs/dbraw/zinc/25/91/08/603259108.db2.gz KNAWPOKKEIWZNW-MQVJKMGUSA-N -1 0 331.416 3.605 20 0 EHADRM C[C@@H](NC(=O)[C@H](NC(=O)[O-])c1cccc(Cl)c1)c1cccs1 ZINC000738954568 603265610 /nfs/dbraw/zinc/26/56/10/603265610.db2.gz YQZCOMVJEWYBCU-NOZJJQNGSA-N -1 0 338.816 3.588 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(C)c(NC(=O)[O-])c1)c1ccc(OC)cc1 ZINC000826614124 603272263 /nfs/dbraw/zinc/27/22/63/603272263.db2.gz ZVPUFZISTOMGCC-MRXNPFEDSA-N -1 0 342.395 3.975 20 0 EHADRM CCc1ccc([C@@H]2CCCCN2C(=O)CC2CCN(C(=O)[O-])CC2)o1 ZINC000739544044 603278139 /nfs/dbraw/zinc/27/81/39/603278139.db2.gz QWWWHBNCQJCIFX-INIZCTEOSA-N -1 0 348.443 3.676 20 0 EHADRM Cc1cc(CNC(=O)[O-])ccc1N(C(=O)[C@H]1CC=CCC1)C1CC1 ZINC000740076616 603296989 /nfs/dbraw/zinc/29/69/89/603296989.db2.gz JMWHNQATWWXDDR-HNNXBMFYSA-N -1 0 328.412 3.614 20 0 EHADRM Cc1cc(CNC(=O)[O-])ccc1N(C(=O)CC1CCCC1)C1CC1 ZINC000740078080 603297720 /nfs/dbraw/zinc/29/77/20/603297720.db2.gz XYIRCOASWZQCMP-UHFFFAOYSA-N -1 0 330.428 3.838 20 0 EHADRM O=C([O-])N[C@H](CNC(=O)Nc1cccc(C(F)F)c1)c1ccccc1 ZINC000832136362 603302836 /nfs/dbraw/zinc/30/28/36/603302836.db2.gz SNGIYRCBDMUMPV-CQSZACIVSA-N -1 0 349.337 3.755 20 0 EHADRM CC(C)C[C@@H](C(=O)NC1CCC(NC(=O)[O-])CC1)c1ccccc1 ZINC000738803745 603319657 /nfs/dbraw/zinc/31/96/57/603319657.db2.gz GGBFQBXAHNNLRC-OFLPRAFFSA-N -1 0 332.444 3.511 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccccc1 ZINC000739220030 603321521 /nfs/dbraw/zinc/32/15/21/603321521.db2.gz UFLWIIIZLOURCZ-LJQANCHMSA-N -1 0 341.411 3.901 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)N2CCC[C@@H]2C2CCCC2)c1 ZINC000740676583 603322351 /nfs/dbraw/zinc/32/23/51/603322351.db2.gz RNNOGJJWBQILJQ-MRXNPFEDSA-N -1 0 331.416 3.641 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2cccc(CNC(=O)[O-])c2)cc1 ZINC000740111898 603322590 /nfs/dbraw/zinc/32/25/90/603322590.db2.gz AZBFESMNVZYWGE-CYBMUJFWSA-N -1 0 327.384 3.645 20 0 EHADRM CCN(Cc1ccccc1)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739441918 603325175 /nfs/dbraw/zinc/32/51/75/603325175.db2.gz DKXZHHLKXMQXEU-UHFFFAOYSA-N -1 0 327.384 3.508 20 0 EHADRM CN(Cc1ccccc1NC(=O)N(C)C1CCCCCC1)C(=O)[O-] ZINC000739714030 603335501 /nfs/dbraw/zinc/33/55/01/603335501.db2.gz LIFYVBFUEGKADA-UHFFFAOYSA-N -1 0 333.432 3.983 20 0 EHADRM CCN(Cc1cccc(NC(=O)N2CCc3ccccc32)c1)C(=O)[O-] ZINC000739443780 603342709 /nfs/dbraw/zinc/34/27/09/603342709.db2.gz RVPBJORNLREFMZ-UHFFFAOYSA-N -1 0 339.395 3.781 20 0 EHADRM CC(C)[C@H](CC1CCCCC1)C(=O)N1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000738773169 603343061 /nfs/dbraw/zinc/34/30/61/603343061.db2.gz IAYIENZGKXUEER-XIRDDKMYSA-N -1 0 338.492 3.734 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N(CC(C)C)C1CC1)C(=O)[O-] ZINC000739447786 603351696 /nfs/dbraw/zinc/35/16/96/603351696.db2.gz OSDBTJFPANYHTJ-UHFFFAOYSA-N -1 0 333.432 3.839 20 0 EHADRM CCOc1c(F)cccc1C(=O)Nc1ccc(NC(=O)[O-])c(OC)c1 ZINC000827408534 603352334 /nfs/dbraw/zinc/35/23/34/603352334.db2.gz HTKCVKGECZADCI-UHFFFAOYSA-N -1 0 348.330 3.575 20 0 EHADRM Cc1cncc(C(=O)Nc2cc(C(F)(F)F)ccc2NC(=O)[O-])c1 ZINC000830634515 603354281 /nfs/dbraw/zinc/35/42/81/603354281.db2.gz XSVGTOYHYHLZHY-UHFFFAOYSA-N -1 0 339.273 3.751 20 0 EHADRM C[C@H](Cc1cccs1)NC(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000738948226 603358146 /nfs/dbraw/zinc/35/81/46/603358146.db2.gz JYDRPESNMNWVTQ-GFCCVEGCSA-N -1 0 347.440 3.611 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)N2Cc3ccccc3-c3ccccc32)o1 ZINC000832684274 603358810 /nfs/dbraw/zinc/35/88/10/603358810.db2.gz PHENUYOOZXLIFH-UHFFFAOYSA-N -1 0 348.358 3.875 20 0 EHADRM C[C@@H]1CN(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)CC[C@H]1NC(=O)[O-] ZINC000739130731 603363005 /nfs/dbraw/zinc/36/30/05/603363005.db2.gz VZHJTQWRACQUKJ-SFSKKFTQSA-N -1 0 344.455 3.502 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N(C)Cc2ccsc2)cc1 ZINC000825423581 603381905 /nfs/dbraw/zinc/38/19/05/603381905.db2.gz RTKQMXAOAOIJSV-NSHDSACASA-N -1 0 333.413 3.741 20 0 EHADRM CC(C)c1csc(NC(=O)[C@H](C)[C@@H](NC(=O)[O-])c2ccccc2)n1 ZINC000824482360 603389953 /nfs/dbraw/zinc/38/99/53/603389953.db2.gz LCVJFVSSFXDRRT-BXUZGUMPSA-N -1 0 347.440 3.850 20 0 EHADRM Cc1ccnc(-c2cccc(NC(=O)c3cccc(NC(=O)[O-])c3)c2)n1 ZINC000738793159 603393198 /nfs/dbraw/zinc/39/31/98/603393198.db2.gz RXGDHVKAXMKYSP-UHFFFAOYSA-N -1 0 348.362 3.794 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)Cc1ccc(NC(=O)[O-])cc1)C(C)C ZINC000740190706 603393889 /nfs/dbraw/zinc/39/38/89/603393889.db2.gz MNDRGPVTVFNNHL-KRWDZBQOSA-N -1 0 341.411 3.536 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(OC2CCCC2)c(Cl)c1)NC(=O)[O-] ZINC000824694708 603397395 /nfs/dbraw/zinc/39/73/95/603397395.db2.gz HOXFMSRMENBXDO-JTQLQIEISA-N -1 0 340.807 3.646 20 0 EHADRM C[C@@H](CC(=O)N1CCC[C@H]1c1cccc2ccccc21)NC(=O)[O-] ZINC000824581159 603398586 /nfs/dbraw/zinc/39/85/86/603398586.db2.gz LHEAQOSQGXFMFI-GUYCJALGSA-N -1 0 326.396 3.550 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@@H](c2nc(Cc3ccccc3Cl)no2)C1 ZINC000832337774 603414191 /nfs/dbraw/zinc/41/41/91/603414191.db2.gz DHMCKBLNEAITSB-NEPJUHHUSA-N -1 0 335.791 3.608 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@@H](c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000832340323 603419582 /nfs/dbraw/zinc/41/95/82/603419582.db2.gz QTWWOOFXWZZMFB-YPMHNXCESA-N -1 0 335.791 3.608 20 0 EHADRM C[C@@H](C(=O)Nc1cccc(F)c1F)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823724703 603420095 /nfs/dbraw/zinc/42/00/95/603420095.db2.gz SNNOIFGRFPCZIX-MEBBXXQBSA-N -1 0 334.322 3.548 20 0 EHADRM Cc1ccc(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)cc1NC(=O)[O-] ZINC000830204111 603420706 /nfs/dbraw/zinc/42/07/06/603420706.db2.gz CUQZDONLEPHQEW-GDBMZVCRSA-N -1 0 328.343 3.510 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)c2ccc(CNC(=O)[O-])cc2)c1C ZINC000740162491 603421438 /nfs/dbraw/zinc/42/14/38/603421438.db2.gz KHTNPEOKGJZSCA-CQSZACIVSA-N -1 0 326.396 3.562 20 0 EHADRM O=C([O-])N1CCC[C@H]1C1CCN(C(=O)CCCC2CCCC2)CC1 ZINC000831429055 603422896 /nfs/dbraw/zinc/42/28/96/603422896.db2.gz OJXQZBBFZFDFGB-KRWDZBQOSA-N -1 0 336.476 3.728 20 0 EHADRM O=C([O-])N1CCCN(C(=O)c2ccc3ccccc3n2)c2ccccc21 ZINC000740516255 603431267 /nfs/dbraw/zinc/43/12/67/603431267.db2.gz PNMUTEQTNCOUBE-UHFFFAOYSA-N -1 0 347.374 3.770 20 0 EHADRM Cc1cnc(C(C)(C)NC(=O)Nc2ccc(NC(=O)[O-])cc2)s1 ZINC000830624983 603454777 /nfs/dbraw/zinc/45/47/77/603454777.db2.gz NNVAGNCLDUPVLF-UHFFFAOYSA-N -1 0 334.401 3.598 20 0 EHADRM Cc1cc(C)c(NC(=O)C[C@@H](Cc2ccccc2)NC(=O)[O-])c(C)c1 ZINC000829991659 603524860 /nfs/dbraw/zinc/52/48/60/603524860.db2.gz VVKWRGQOAPFSNU-QGZVFWFLSA-N -1 0 340.423 3.819 20 0 EHADRM Cc1csc(N(C(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)c2ccccc2)n1 ZINC000830666229 603527424 /nfs/dbraw/zinc/52/74/24/603527424.db2.gz CVPLSTGHSZGPOC-QWHCGFSZSA-N -1 0 345.424 3.553 20 0 EHADRM CCN(C(=O)c1cc(Cl)c(NC(=O)[O-])cc1OC)c1ccncc1 ZINC000826979750 603537953 /nfs/dbraw/zinc/53/79/53/603537953.db2.gz LPNQPLWQFRKHJH-UHFFFAOYSA-N -1 0 349.774 3.500 20 0 EHADRM Cc1ccc([C@@H](C)C(=O)N2CCCN(C(=O)[O-])c3ccccc32)o1 ZINC000830244577 603542406 /nfs/dbraw/zinc/54/24/06/603542406.db2.gz CSAUGZWZOJGZNF-CYBMUJFWSA-N -1 0 328.368 3.613 20 0 EHADRM CC(C)(C)Sc1ccc(NC(=O)NCC(C)(C)NC(=O)[O-])cc1 ZINC000823941315 603591578 /nfs/dbraw/zinc/59/15/78/603591578.db2.gz ILCDQBMZOHCOHR-UHFFFAOYSA-N -1 0 339.461 3.745 20 0 EHADRM Cc1ccc(C(=O)N[C@H](C(C)(C)C)C(F)(F)F)cc1NC(=O)[O-] ZINC000830204237 603638467 /nfs/dbraw/zinc/63/84/67/603638467.db2.gz DZXWZFDXPVTSKG-GFCCVEGCSA-N -1 0 332.322 3.792 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)cc1 ZINC000832834310 603770081 /nfs/dbraw/zinc/77/00/81/603770081.db2.gz VZYBGRBMQANHEP-LBPRGKRZSA-N -1 0 330.306 3.627 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc(C2(c3ccc(Cl)cc3)CC2)n1 ZINC000824903054 603770396 /nfs/dbraw/zinc/77/03/96/603770396.db2.gz UKTOXSNUFWBOHO-SNVBAGLBSA-N -1 0 335.791 3.516 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N(C)[C@@H](C)C1(C)CC1 ZINC000829168261 603784473 /nfs/dbraw/zinc/78/44/73/603784473.db2.gz XBNBJBFOBORBDJ-VIFPVBQESA-N -1 0 340.807 3.699 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])s1 ZINC000830250302 603857841 /nfs/dbraw/zinc/85/78/41/603857841.db2.gz AHIXGQPNZRFLDH-FUDCBSFHSA-N -1 0 336.457 3.545 20 0 EHADRM O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)Nc1ccc3scnc3c1)C2 ZINC000831308397 603872344 /nfs/dbraw/zinc/87/23/44/603872344.db2.gz QPLCXMKSMILUID-VGPLMAKISA-N -1 0 345.424 3.546 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)Nc2ccc(CCC(F)(F)F)cc2)C1 ZINC000832285108 603887296 /nfs/dbraw/zinc/88/72/96/603887296.db2.gz CYXCLDXGNZBFSS-WCQYABFASA-N -1 0 344.333 3.556 20 0 EHADRM Cc1ccc(C(=O)O[C@@H](C)c2nc(C(C)C)no2)cc1NC(=O)[O-] ZINC000830237264 603952750 /nfs/dbraw/zinc/95/27/50/603952750.db2.gz HGFWYTAIVDTLRQ-JTQLQIEISA-N -1 0 333.344 3.509 20 0 EHADRM CCOc1c(F)cccc1C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000827409816 603959824 /nfs/dbraw/zinc/95/98/24/603959824.db2.gz RLZIPELKASEEAI-UHFFFAOYSA-N -1 0 344.342 3.517 20 0 EHADRM Cc1ccc(NC(=O)Nc2cccc3c2CCN3C(=O)[O-])c(C)c1 ZINC000830390356 603968017 /nfs/dbraw/zinc/96/80/17/603968017.db2.gz NLTLLQUZFVSLOX-UHFFFAOYSA-N -1 0 325.368 3.988 20 0 EHADRM CC[C@@H]1CCCN(C(=O)Nc2cccc3c2CCN3C(=O)[O-])CC1 ZINC000826676210 603981630 /nfs/dbraw/zinc/98/16/30/603981630.db2.gz XKFNPKABALVAHL-CYBMUJFWSA-N -1 0 331.416 3.771 20 0 EHADRM C[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000825895539 603985938 /nfs/dbraw/zinc/98/59/38/603985938.db2.gz MAZMBOVGIUDIQA-DOMZBBRYSA-N -1 0 331.416 3.770 20 0 EHADRM Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000830445235 604034149 /nfs/dbraw/zinc/03/41/49/604034149.db2.gz FHVALQDHCJKJAV-CYBMUJFWSA-N -1 0 340.379 3.821 20 0 EHADRM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)Nc2ccc3ccccc3c2)C1 ZINC000825235753 604060969 /nfs/dbraw/zinc/06/09/69/604060969.db2.gz HSCRSOHRZDZKGS-BBRMVZONSA-N -1 0 341.411 3.740 20 0 EHADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)Nc2ccccc2C(C)(C)C)C1 ZINC000825238275 604065349 /nfs/dbraw/zinc/06/53/49/604065349.db2.gz XWJQRCAUQAFBHF-ZIAGYGMSSA-N -1 0 347.459 3.884 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)c(Cl)c1 ZINC000830382661 604066253 /nfs/dbraw/zinc/06/62/53/604066253.db2.gz RXAGHNCYMVNZBL-NWDGAFQWSA-N -1 0 339.823 3.548 20 0 EHADRM O=C([O-])N1CCCN(Cc2cc3ccccc3[nH]c2=O)c2ccccc21 ZINC000832015700 604096037 /nfs/dbraw/zinc/09/60/37/604096037.db2.gz VFZYSYIEIJLRJI-UHFFFAOYSA-N -1 0 349.390 3.835 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000830471116 604120544 /nfs/dbraw/zinc/12/05/44/604120544.db2.gz FDBRIKARKDFTSI-CABCVRRESA-N -1 0 345.443 3.867 20 0 EHADRM C[C@H](NC(=O)c1ccc(F)c(NC(=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC000825457712 604210933 /nfs/dbraw/zinc/21/09/33/604210933.db2.gz ANVJRSASTLISDG-NEPJUHHUSA-N -1 0 330.359 3.838 20 0 EHADRM C[C@@H]1CCC[C@H](CC(=O)N2CCC(N(CC3CC3)C(=O)[O-])CC2)C1 ZINC000825887370 604241182 /nfs/dbraw/zinc/24/11/82/604241182.db2.gz KZNGVMXGCRDAJJ-ZBFHGGJFSA-N -1 0 336.476 3.584 20 0 EHADRM O=C([O-])N(CC1CC1)C1CCN(C(=O)[C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000831272060 604244647 /nfs/dbraw/zinc/24/46/47/604244647.db2.gz HMUGPEFAYFFIMX-ROUUACIJSA-N -1 0 348.487 3.584 20 0 EHADRM C[C@H]1CCCC[C@H]1CC(=O)N1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000825897388 604245200 /nfs/dbraw/zinc/24/52/00/604245200.db2.gz WNTATGMITZRCEJ-HOCLYGCPSA-N -1 0 336.476 3.584 20 0 EHADRM C[C@@H](CC(=O)NCCc1ccc(NC(=O)[O-])cc1)c1ccccc1F ZINC000736541006 604252622 /nfs/dbraw/zinc/25/26/22/604252622.db2.gz GKVSIQWHQOSGOD-ZDUSSCGKSA-N -1 0 344.386 3.768 20 0 EHADRM CS[C@@H](C(=O)NCCc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000738179953 604254658 /nfs/dbraw/zinc/25/46/58/604254658.db2.gz PASZUHYGJOBLCB-MRXNPFEDSA-N -1 0 344.436 3.540 20 0 EHADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)c2c(Cl)cccc2Cl)C1 ZINC000825235917 604260878 /nfs/dbraw/zinc/26/08/78/604260878.db2.gz IVFOULVIUVQAMD-NXEZZACHSA-N -1 0 345.226 3.502 20 0 EHADRM COc1cccc2c(N3CCC(CCC(=O)[O-])CC3)cc(C)nc12 ZINC000649401409 604270073 /nfs/dbraw/zinc/27/00/73/604270073.db2.gz JEAPTXKHQPTLSB-UHFFFAOYSA-N -1 0 328.412 3.633 20 0 EHADRM CCC1(CC)[C@H](OC)C[C@@H]1N(C)c1nc(Cl)c(C(=O)[O-])s1 ZINC000829056247 604276243 /nfs/dbraw/zinc/27/62/43/604276243.db2.gz UNPFQICBTPAPKC-DTWKUNHWSA-N -1 0 332.853 3.525 20 0 EHADRM Cc1cc(C)c(NC(=O)N[C@](C)(CNC(=O)[O-])C2CC2)c(Cl)c1 ZINC000829991388 604285661 /nfs/dbraw/zinc/28/56/61/604285661.db2.gz TVJXOEITFURRST-MRXNPFEDSA-N -1 0 339.823 3.515 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CC[C@H]2c2ccc(Cl)cc2)cc1F ZINC000833308538 604293931 /nfs/dbraw/zinc/29/39/31/604293931.db2.gz ALAXJHZXLPKHDJ-HNNXBMFYSA-N -1 0 333.746 3.765 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@H]1c1ccccc1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824583322 604294745 /nfs/dbraw/zinc/29/47/45/604294745.db2.gz SSUUPEYJHNPZOH-NJAFHUGGSA-N -1 0 344.455 3.766 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)Nc1c(F)cccc1F)c1ccccc1 ZINC000826102604 604307270 /nfs/dbraw/zinc/30/72/70/604307270.db2.gz CPPZCEGOPMNXLC-HNNXBMFYSA-N -1 0 348.349 3.938 20 0 EHADRM Cc1cc(O)c(C(C)C)cc1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000832900240 604311821 /nfs/dbraw/zinc/31/18/21/604311821.db2.gz USXLQRYLOCDAOG-UHFFFAOYSA-N -1 0 331.343 3.914 20 0 EHADRM CCCN(CCc1cccc(F)c1)C(=O)c1c(C)[nH]c(C(=O)[O-])c1C ZINC000737828203 604315120 /nfs/dbraw/zinc/31/51/20/604315120.db2.gz NRFYSZSNGDLHBX-UHFFFAOYSA-N -1 0 346.402 3.564 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2c[nH]cc2-c2ccc(F)cc2)c1 ZINC000833342121 604315180 /nfs/dbraw/zinc/31/51/80/604315180.db2.gz GCGDGFJPOPLNSP-UHFFFAOYSA-N -1 0 330.340 3.833 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1ccc2nn(C(C)C)cc2c1 ZINC000738169156 604317135 /nfs/dbraw/zinc/31/71/35/604317135.db2.gz SQNXVIVINPEGLS-UHFFFAOYSA-N -1 0 340.383 3.513 20 0 EHADRM Cc1cccc(-c2cncc(C(=O)N(CC(=O)[O-])c3ccccc3)c2)c1 ZINC000832959355 604319059 /nfs/dbraw/zinc/31/90/59/604319059.db2.gz BBVOSVJUUSGBDO-UHFFFAOYSA-N -1 0 346.386 3.788 20 0 EHADRM COc1ccc(CNC(=O)Nc2cccc(C(=O)[O-])c2C)cc1Cl ZINC000832335804 604322145 /nfs/dbraw/zinc/32/21/45/604322145.db2.gz AFUCGDHYRZLUJC-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM CCC1(CC)[C@H](N(C)C(=O)Nc2ccc(NC(=O)[O-])cc2)C[C@@H]1OC ZINC000829056572 604323110 /nfs/dbraw/zinc/32/31/10/604323110.db2.gz YEYRPVVYSFRCAS-CABCVRRESA-N -1 0 349.431 3.834 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(CNc2ncnc3sccc32)cc1 ZINC000825401388 604346058 /nfs/dbraw/zinc/34/60/58/604346058.db2.gz CUXVGFFYGVWMIE-SNVBAGLBSA-N -1 0 328.397 3.632 20 0 EHADRM Cc1ccc(/C=C/CC(=O)Nc2nc(CCC(=O)[O-])cs2)cc1 ZINC000832928057 604347941 /nfs/dbraw/zinc/34/79/41/604347941.db2.gz IGJSXOKURRDVKV-NSCUHMNNSA-N -1 0 330.409 3.511 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC2(c3cccc(Cl)c3)CCCC2)cn1 ZINC000833129900 604352212 /nfs/dbraw/zinc/35/22/12/604352212.db2.gz VIGYPKZNEHAPKY-UHFFFAOYSA-N -1 0 344.798 3.633 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1nccc2ccccc21)c1ccccc1 ZINC000826106062 604375149 /nfs/dbraw/zinc/37/51/49/604375149.db2.gz QNKYDGRZVPWJOX-SFHVURJKSA-N -1 0 348.402 3.817 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000827593013 604375264 /nfs/dbraw/zinc/37/52/64/604375264.db2.gz YLQWXEZNFFEQJW-CRAIPNDOSA-N -1 0 339.435 3.834 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)Cc3ccco3)ccc2n1C1CC1 ZINC000832851575 604378154 /nfs/dbraw/zinc/37/81/54/604378154.db2.gz FIFQFFBMTJWIRC-UHFFFAOYSA-N -1 0 339.347 3.724 20 0 EHADRM Cc1cc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])c(F)cc1F ZINC000832863359 604380381 /nfs/dbraw/zinc/38/03/81/604380381.db2.gz PJKNQYYEKNLHJY-MRXNPFEDSA-N -1 0 347.361 3.855 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)CCc1ccccc1)c1ccccc1 ZINC000826090170 604383822 /nfs/dbraw/zinc/38/38/22/604383822.db2.gz QLTCFNWRTCGYRD-GOSISDBHSA-N -1 0 325.408 3.588 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2ccn(C3CCCC3)n2)cc1 ZINC000825449681 604385280 /nfs/dbraw/zinc/38/52/80/604385280.db2.gz WPHHSXBRYQQICX-GFCCVEGCSA-N -1 0 342.399 3.579 20 0 EHADRM CC(=O)c1cccc(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])c1 ZINC000825960212 604391001 /nfs/dbraw/zinc/39/10/01/604391001.db2.gz IGLQXQQIAXLBIT-UHFFFAOYSA-N -1 0 329.377 3.779 20 0 EHADRM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)c2ccc(C(C)(C)C)s2)C1 ZINC000825244538 604421631 /nfs/dbraw/zinc/42/16/31/604421631.db2.gz JYYJKXUQNABBIM-RYUDHWBXSA-N -1 0 338.473 3.554 20 0 EHADRM CCCOc1cccc(CC(=O)Nc2cccc(C(=O)[O-])c2C)c1 ZINC000649354519 604434041 /nfs/dbraw/zinc/43/40/41/604434041.db2.gz IOQPVYRLCVRPMB-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)C(C)(C)c2cccs2)cc1 ZINC000825373047 604457628 /nfs/dbraw/zinc/45/76/28/604457628.db2.gz VEPNDJRHSGSCME-GFCCVEGCSA-N -1 0 346.452 3.671 20 0 EHADRM CC(C)(C)O[C@H](C(=O)OCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000833446171 604470697 /nfs/dbraw/zinc/47/06/97/604470697.db2.gz QEAAKHBFOAFHFB-KRWDZBQOSA-N -1 0 342.391 3.984 20 0 EHADRM CCOCCC1(CNC(=O)Nc2cc(C(=O)[O-])cs2)CCCC1 ZINC000829994438 604500255 /nfs/dbraw/zinc/50/02/55/604500255.db2.gz MJTSAACFJSMZES-UHFFFAOYSA-N -1 0 340.445 3.555 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000828182974 604501776 /nfs/dbraw/zinc/50/17/76/604501776.db2.gz ATXFRWLLAHXOBU-DGCLKSJQSA-N -1 0 330.409 3.856 20 0 EHADRM O=C([O-])c1csc(NC(=O)N[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000833151043 604503273 /nfs/dbraw/zinc/50/32/73/604503273.db2.gz MGKICMGVHMHEMB-LLVKDONJSA-N -1 0 344.314 3.871 20 0 EHADRM C[C@@H](OCCCNC(=O)Nc1cc(C(=O)[O-])cs1)c1ccccc1 ZINC000827879118 604506303 /nfs/dbraw/zinc/50/63/03/604506303.db2.gz KHXBOSIIUAYULY-GFCCVEGCSA-N -1 0 348.424 3.736 20 0 EHADRM CC[C@H](Cc1ccccc1)N(C)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000828900656 604513284 /nfs/dbraw/zinc/51/32/84/604513284.db2.gz JCZKGZZGGAOSJJ-CQSZACIVSA-N -1 0 332.425 3.931 20 0 EHADRM C[C@H]1CCCCCN1C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000828251358 604536409 /nfs/dbraw/zinc/53/64/09/604536409.db2.gz HUFVIAYBZQASDQ-GOEBONIOSA-N -1 0 332.444 3.813 20 0 EHADRM CC(C)(C)Oc1cccc(CNc2ccc(CNC(=O)[O-])cc2)n1 ZINC000833447282 604536798 /nfs/dbraw/zinc/53/67/98/604536798.db2.gz PORVTFHOWPTTKV-UHFFFAOYSA-N -1 0 329.400 3.639 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2ccc3ccccc3n2)oc1C(=O)[O-] ZINC000832875976 604546823 /nfs/dbraw/zinc/54/68/23/604546823.db2.gz QTZTXJMQSVZZAG-NSHDSACASA-N -1 0 325.320 3.752 20 0 EHADRM COc1ccccc1CCC(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000832608472 604548250 /nfs/dbraw/zinc/54/82/50/604548250.db2.gz VGZDVTPPWMBJGW-GFCCVEGCSA-N -1 0 332.352 3.532 20 0 EHADRM CC1(C)CCC[C@@H](C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)C1 ZINC000263526228 604556688 /nfs/dbraw/zinc/55/66/88/604556688.db2.gz JZDYNIYGJVDHCT-MRXNPFEDSA-N -1 0 347.455 3.763 20 0 EHADRM CCC(CC)n1ccc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)n1 ZINC000828870625 604557647 /nfs/dbraw/zinc/55/76/47/604557647.db2.gz SJWBDGLQOKLNJO-UHFFFAOYSA-N -1 0 335.791 3.848 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2cc(F)c(F)c(F)c2F)oc1C(=O)[O-] ZINC000832876298 604567257 /nfs/dbraw/zinc/56/72/57/604567257.db2.gz SMEJIDRGEJBCOX-ZCFIWIBFSA-N -1 0 346.232 3.761 20 0 EHADRM CCOc1ccc(CCC(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC000830071430 604571473 /nfs/dbraw/zinc/57/14/73/604571473.db2.gz VXBRINRKNBAXCM-ZDUSSCGKSA-N -1 0 346.379 3.922 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)CCCc1csc2ccccc12 ZINC000263090406 604577800 /nfs/dbraw/zinc/57/78/00/604577800.db2.gz ZYIJTYMKYRRXAN-CQSZACIVSA-N -1 0 331.437 3.690 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)c1ccccc1CCc1ccccc1 ZINC000263075656 604586904 /nfs/dbraw/zinc/58/69/04/604586904.db2.gz YRMHTPBLVHXZMM-SFHVURJKSA-N -1 0 337.419 3.551 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)C[C@H]2CCOc3ccccc32)oc1C(=O)[O-] ZINC000832875915 604587788 /nfs/dbraw/zinc/58/77/88/604587788.db2.gz PJRPBNYUUPDGCH-CHWSQXEVSA-N -1 0 344.363 3.847 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000262968290 604593683 /nfs/dbraw/zinc/59/36/83/604593683.db2.gz OJTKLNHPBHBOEB-CQSZACIVSA-N -1 0 341.432 3.593 20 0 EHADRM CC(C)[C@@H](C(=O)N1CCc2cc(C(=O)[O-])ccc21)c1ccc(F)cc1 ZINC000833464745 604607414 /nfs/dbraw/zinc/60/74/14/604607414.db2.gz CWVSDFMAOPMSAS-GOSISDBHSA-N -1 0 341.382 3.853 20 0 EHADRM CCCOc1ccc(NC(=O)N2CCC[C@H]2CC(=O)[O-])cc1Cl ZINC000829532504 604622718 /nfs/dbraw/zinc/62/27/18/604622718.db2.gz OJTSMVWJILIKME-LBPRGKRZSA-N -1 0 340.807 3.600 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000830168545 604628493 /nfs/dbraw/zinc/62/84/93/604628493.db2.gz DGKXXPVJUREWSG-LLVKDONJSA-N -1 0 342.848 3.923 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)c1cccc(-c2c(F)cccc2F)c1 ZINC000833497324 604660655 /nfs/dbraw/zinc/66/06/55/604660655.db2.gz IPNZWTQLNYWORA-UHFFFAOYSA-N -1 0 333.334 3.567 20 0 EHADRM COc1ccc(C)cc1[C@H](C)NC(=O)CCc1ccccc1C(=O)[O-] ZINC000262125066 604669419 /nfs/dbraw/zinc/66/94/19/604669419.db2.gz GVYUGMJJYMZUJY-AWEZNQCLSA-N -1 0 341.407 3.512 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000262104647 604676032 /nfs/dbraw/zinc/67/60/32/604676032.db2.gz DWMQQKBTPJBDKL-QWHCGFSZSA-N -1 0 343.345 3.555 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)OCc2cc3ccccc3o2)cc1O ZINC000833284635 604691028 /nfs/dbraw/zinc/69/10/28/604691028.db2.gz ZBHLASXZOAMXEG-UHFFFAOYSA-N -1 0 327.292 3.585 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1ccc(F)c(Cl)c1)c1ccccc1 ZINC000826044101 604703833 /nfs/dbraw/zinc/70/38/33/604703833.db2.gz CBJRXDBNPSPCSN-BONVTDFDSA-N -1 0 335.762 3.671 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2ccc3nc(Cl)ccc3c2)c1 ZINC000833342757 604707012 /nfs/dbraw/zinc/70/70/12/604707012.db2.gz PGHQBHCHEIWQSW-UHFFFAOYSA-N -1 0 332.768 3.900 20 0 EHADRM C[C@@H](C(=O)OCC(=O)c1cccc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC000833409004 604707688 /nfs/dbraw/zinc/70/76/88/604707688.db2.gz HKBAXYXWCVJDCC-LLVKDONJSA-N -1 0 346.766 3.568 20 0 EHADRM O=C([O-])CCc1csc(NC(=O)CC/C=C\c2ccccc2)n1 ZINC000833237839 604722516 /nfs/dbraw/zinc/72/25/16/604722516.db2.gz MVEZHOMKSKLCNO-YWEYNIOJSA-N -1 0 330.409 3.592 20 0 EHADRM C[C@H](C(=O)N(C)C1(C(=O)[O-])CCCC1)c1c(Cl)cccc1Cl ZINC000825971917 604724575 /nfs/dbraw/zinc/72/45/75/604724575.db2.gz IWAJBFCFVPOTKB-JTQLQIEISA-N -1 0 344.238 3.953 20 0 EHADRM C[C@@H](CCNC(=O)CCc1ccccc1C(=O)[O-])c1ccccc1 ZINC000679093672 604736026 /nfs/dbraw/zinc/73/60/26/604736026.db2.gz DKIZDBIWTPUSKB-HNNXBMFYSA-N -1 0 325.408 3.627 20 0 EHADRM C[C@@H](CC(=O)[O-])SCCC(=O)Nc1ccccc1C(F)(F)F ZINC000827386262 604744263 /nfs/dbraw/zinc/74/42/63/604744263.db2.gz ROYKADQMBHQGBK-VIFPVBQESA-N -1 0 335.347 3.630 20 0 EHADRM C/C(=C\c1cccc(Cl)c1)C(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC000761864306 604780110 /nfs/dbraw/zinc/78/01/10/604780110.db2.gz HLQLHDLJNMKVCB-PXUDHTSWSA-N -1 0 347.773 3.825 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Cc1ccccc1C(=O)[O-] ZINC000322141825 604781126 /nfs/dbraw/zinc/78/11/26/604781126.db2.gz QPJLNPSDBVPNKK-GFCCVEGCSA-N -1 0 331.799 3.800 20 0 EHADRM O=C([O-])c1cccc(NC2CCN(C(=O)CCC3CCCC3)CC2)c1 ZINC000833329868 604781812 /nfs/dbraw/zinc/78/18/12/604781812.db2.gz JCNBCAXARGMNTN-UHFFFAOYSA-N -1 0 344.455 3.758 20 0 EHADRM CC1(C)C[C@H](NC(=O)CCc2ccccc2C(=O)[O-])c2ccccc21 ZINC000263540561 604791741 /nfs/dbraw/zinc/79/17/41/604791741.db2.gz QPQWSFDOOJQHDX-SFHVURJKSA-N -1 0 337.419 3.856 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NCc1noc(C2CCCCC2)n1 ZINC000832901161 604799607 /nfs/dbraw/zinc/79/96/07/604799607.db2.gz XUANGZFOEJYDKT-UHFFFAOYSA-N -1 0 345.399 3.501 20 0 EHADRM Cc1ccc(CCCNC(=O)c2ccc(C(=O)[O-])c(F)c2)c(C)c1 ZINC000832931160 604804211 /nfs/dbraw/zinc/80/42/11/604804211.db2.gz XWGJFMBATXUTSZ-UHFFFAOYSA-N -1 0 329.371 3.503 20 0 EHADRM CCC(C)(C)CCSCC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000828608589 604805121 /nfs/dbraw/zinc/80/51/21/604805121.db2.gz DMMLAHJBJDPSON-UHFFFAOYSA-N -1 0 338.473 3.952 20 0 EHADRM C[C@@H](CC(=O)N1CCc2ccc(C(=O)[O-])cc2C1)c1cccc(F)c1 ZINC000262129692 604812370 /nfs/dbraw/zinc/81/23/70/604812370.db2.gz HHSJXYALCQWXGI-ZDUSSCGKSA-N -1 0 341.382 3.602 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)cc1F ZINC000833130721 604815546 /nfs/dbraw/zinc/81/55/46/604815546.db2.gz DYZWQCPVZOFRFM-OAHLLOKOSA-N -1 0 333.746 3.595 20 0 EHADRM CCn1c2ccc(Cl)cc2nc1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833683492 604820276 /nfs/dbraw/zinc/82/02/76/604820276.db2.gz HXDNQZSTESDELV-WDEREUQCSA-N -1 0 349.818 3.539 20 0 EHADRM CN(Cc1cccc(Cl)c1Cl)[C@@H](C(=O)[O-])c1cccnc1 ZINC000830844824 604826463 /nfs/dbraw/zinc/82/64/63/604826463.db2.gz IGETXVRFXDMFEV-CQSZACIVSA-N -1 0 325.195 3.646 20 0 EHADRM C[C@H](CSCc1ccccc1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000827581583 604828324 /nfs/dbraw/zinc/82/83/24/604828324.db2.gz PCSHOSMXPOOAKG-CQSZACIVSA-N -1 0 343.448 3.571 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)OCc2noc(C3CCCCC3)n2)cc1 ZINC000833284421 604836326 /nfs/dbraw/zinc/83/63/26/604836326.db2.gz UZMSLFAFJMVNQN-UHFFFAOYSA-N -1 0 345.355 3.564 20 0 EHADRM CCC(=O)c1cccc(NC(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000828580877 604844914 /nfs/dbraw/zinc/84/49/14/604844914.db2.gz WTAHSMKSCVKAAE-UHFFFAOYSA-N -1 0 325.364 3.549 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)/C=C\C2CCCCC2)cc1Cl ZINC000776670434 604845138 /nfs/dbraw/zinc/84/51/38/604845138.db2.gz KXXBIXYBECCEEW-TWGQIWQCSA-N -1 0 337.803 3.878 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2ccc(Cl)cc2)cc1Cl ZINC000237964251 604847365 /nfs/dbraw/zinc/84/73/65/604847365.db2.gz YDXZVOFPTDQJEW-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM C[C@H](CC1CCCC1)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000237368099 604850710 /nfs/dbraw/zinc/85/07/10/604850710.db2.gz MYROCRHPPXRFLM-LLVKDONJSA-N -1 0 339.819 3.958 20 0 EHADRM Cc1cccc(CCC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)c1 ZINC000237626958 604851263 /nfs/dbraw/zinc/85/12/63/604851263.db2.gz QJLQUGNHINPHMY-UHFFFAOYSA-N -1 0 347.798 3.683 20 0 EHADRM CCc1sc(C(=O)N[C@H](CC(=O)[O-])c2ccc(OC)cc2)cc1C ZINC000013189147 604852858 /nfs/dbraw/zinc/85/28/58/604852858.db2.gz LJLRSWNIMVBJRX-CQSZACIVSA-N -1 0 347.436 3.573 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)C1(C)C ZINC000669436409 604856563 /nfs/dbraw/zinc/85/65/63/604856563.db2.gz OVWYDNNVWVDSHD-BFYDXBDKSA-N -1 0 327.424 3.830 20 0 EHADRM Cc1ccc(F)c(NC(=S)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000833749818 604857885 /nfs/dbraw/zinc/85/78/85/604857885.db2.gz WQPYSXSAUWDBDL-GFCCVEGCSA-N -1 0 338.448 3.654 20 0 EHADRM C[C@@H](C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21)c1cccc(F)c1 ZINC000669434885 604858351 /nfs/dbraw/zinc/85/83/51/604858351.db2.gz MDXUVYHTTKGPLK-WBMJQRKESA-N -1 0 327.355 3.534 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000833385059 604860928 /nfs/dbraw/zinc/86/09/28/604860928.db2.gz FVZHRWWZPXXEAH-MUSGIIIZSA-N -1 0 339.366 3.834 20 0 EHADRM CC1(C)CN(C(=O)Nc2cc(C(=O)[O-])cs2)Cc2ccccc21 ZINC000833559694 604861577 /nfs/dbraw/zinc/86/15/77/604861577.db2.gz DNRMFBIOVZDQMN-UHFFFAOYSA-N -1 0 330.409 3.772 20 0 EHADRM CC1(C)CC(C)(C)c2cc(NC(=O)N3CC[C@@H](C(=O)[O-])C3)ccc21 ZINC000263122266 604863676 /nfs/dbraw/zinc/86/36/76/604863676.db2.gz XCQDGSSEVALOHV-GFCCVEGCSA-N -1 0 330.428 3.584 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(c2ncnc3c4ccccc4oc32)C1 ZINC000649405983 604870570 /nfs/dbraw/zinc/87/05/70/604870570.db2.gz XNXIKSJMMZUUKN-GFCCVEGCSA-N -1 0 339.395 3.703 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)O[C@H]1COc2ccccc21)C(=O)[O-] ZINC000833546062 604878316 /nfs/dbraw/zinc/87/83/16/604878316.db2.gz XWWVEZMQZYMYOZ-NHYWBVRUSA-N -1 0 344.388 3.542 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)C1 ZINC000679105375 604879014 /nfs/dbraw/zinc/87/90/14/604879014.db2.gz NPAXHVKCLPJQLZ-FVQBIDKESA-N -1 0 349.858 3.793 20 0 EHADRM CC(C)[C@@H](C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC000679105007 604886569 /nfs/dbraw/zinc/88/65/69/604886569.db2.gz GKFLVSPMEQTGHR-IAGOWNOFSA-N -1 0 331.456 3.776 20 0 EHADRM O=C([O-])c1ccc(C(=O)OCc2cnc(-c3cccs3)o2)cc1F ZINC000833353231 604887004 /nfs/dbraw/zinc/88/70/04/604887004.db2.gz JIFGTNFNKCTQBO-UHFFFAOYSA-N -1 0 347.323 3.597 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)CCc2cccc(Cl)c2)C1 ZINC000679105270 604889062 /nfs/dbraw/zinc/88/90/62/604889062.db2.gz ISSFMHRBIDYNBZ-AWEZNQCLSA-N -1 0 337.847 3.622 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)[C@@H]2CCCc3sccc32)cc1 ZINC000833263647 604889817 /nfs/dbraw/zinc/88/98/17/604889817.db2.gz PMBORIPPXGOUEV-CQSZACIVSA-N -1 0 348.445 3.950 20 0 EHADRM CC(=O)c1ccc(Cl)c(NC(=O)c2ccc(CNC(=O)[O-])cc2)c1 ZINC000823632718 604896736 /nfs/dbraw/zinc/89/67/36/604896736.db2.gz PXECFNZGGDMAEF-UHFFFAOYSA-N -1 0 346.770 3.563 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000679103169 604896782 /nfs/dbraw/zinc/89/67/82/604896782.db2.gz AICMZKXJOOAGHN-WMLDXEAASA-N -1 0 331.456 3.702 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000391174900 604896812 /nfs/dbraw/zinc/89/68/12/604896812.db2.gz GDFJJWQRKDCKHS-DNGMOHDESA-N -1 0 335.831 3.703 20 0 EHADRM CC1CCC(=CC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)CC1 ZINC000236660101 604898665 /nfs/dbraw/zinc/89/86/65/604898665.db2.gz GMSPZAOBQSGTEC-UHFFFAOYSA-N -1 0 337.803 3.878 20 0 EHADRM CCCn1c(C)nnc1S[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000833652844 604905151 /nfs/dbraw/zinc/90/51/51/604905151.db2.gz OOMDBQRZRVMHSG-LBPRGKRZSA-N -1 0 325.821 3.568 20 0 EHADRM CC[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000829119853 604908026 /nfs/dbraw/zinc/90/80/26/604908026.db2.gz WDUCYALFIZMVEF-GWCFXTLKSA-N -1 0 340.807 3.504 20 0 EHADRM Cc1ccc(SCCC(=O)Nc2cncc(C(=O)[O-])c2)cc1C ZINC000320819595 604910141 /nfs/dbraw/zinc/91/01/41/604910141.db2.gz BWYWJOJQOQKCAG-UHFFFAOYSA-N -1 0 330.409 3.518 20 0 EHADRM CC1(NC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)CCCCC1 ZINC000828110453 604917430 /nfs/dbraw/zinc/91/74/30/604917430.db2.gz BOZZBOYMULYLPN-UHFFFAOYSA-N -1 0 340.807 3.648 20 0 EHADRM CCCN(Cc1ccc(F)cc1)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000829496581 604929166 /nfs/dbraw/zinc/92/91/66/604929166.db2.gz JXULHMGSXGZJLO-UHFFFAOYSA-N -1 0 333.334 3.715 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)[C@@H]1CCc2ccccc21 ZINC000262132495 604930568 /nfs/dbraw/zinc/93/05/68/604930568.db2.gz INYJIBOYDFCORF-LJQANCHMSA-N -1 0 337.419 3.610 20 0 EHADRM Cc1cccc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)c1F ZINC000832963677 604933701 /nfs/dbraw/zinc/93/37/01/604933701.db2.gz GITAXSSEJJLINT-UHFFFAOYSA-N -1 0 329.371 3.641 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)OC[C@H](C)C(F)(F)F)C(=O)[O-] ZINC000833545082 604937663 /nfs/dbraw/zinc/93/76/63/604937663.db2.gz NMDGLFHNGXEAQZ-DTWKUNHWSA-N -1 0 336.331 3.607 20 0 EHADRM CC(C)CC[C@@H]1CCCN1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000826844669 604956594 /nfs/dbraw/zinc/95/65/94/604956594.db2.gz FEBMEXAIQSHDBN-INIZCTEOSA-N -1 0 333.432 3.887 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N[C@H]2CCCC(F)(F)C2)c1 ZINC000833154783 604958009 /nfs/dbraw/zinc/95/80/09/604958009.db2.gz ZIWUJFWIPJBEIX-JTQLQIEISA-N -1 0 332.734 3.738 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N[C@@H]2CC3CCC2CC3)cc1 ZINC000392739998 604958746 /nfs/dbraw/zinc/95/87/46/604958746.db2.gz URYWLSQMINEQFD-SEEARECTSA-N -1 0 330.428 3.749 20 0 EHADRM C[C@]1(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)CCCC[C@@H]1C(=O)[O-] ZINC000263517602 604958997 /nfs/dbraw/zinc/95/89/97/604958997.db2.gz FNELDHXGCJVMTM-KDOFPFPSSA-N -1 0 348.830 3.514 20 0 EHADRM O=C([O-])[C@@H](N[C@@H](Cc1ccccc1)c1cccs1)c1cccnc1 ZINC000833167837 604974063 /nfs/dbraw/zinc/97/40/63/604974063.db2.gz QNCWDUOSKZWSIP-WMZOPIPTSA-N -1 0 338.432 3.842 20 0 EHADRM C[C@@H](CCNC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC000392686605 604982942 /nfs/dbraw/zinc/98/29/42/604982942.db2.gz OCKFZLCYHSWVNY-RDJZCZTQSA-N -1 0 346.471 3.713 20 0 EHADRM CCc1nc(NC(=O)[C@@H]2CCSc3ccccc32)sc1C(=O)[O-] ZINC000833676738 604994499 /nfs/dbraw/zinc/99/44/99/604994499.db2.gz UVHBCHGTHGKNGO-SNVBAGLBSA-N -1 0 348.449 3.622 20 0 EHADRM CCc1nc(NC(=O)[C@@H]2C[C@@H]2c2sccc2C)sc1C(=O)[O-] ZINC000833673944 604994844 /nfs/dbraw/zinc/99/48/44/604994844.db2.gz MEXJYYAAIXPCCT-DTWKUNHWSA-N -1 0 336.438 3.516 20 0 EHADRM CCc1nc(NC(=O)[C@@H](CC)Oc2ccccc2C)sc1C(=O)[O-] ZINC000833673936 604999124 /nfs/dbraw/zinc/99/91/24/604999124.db2.gz LZYPDPAIQJCUQN-GFCCVEGCSA-N -1 0 348.424 3.508 20 0 EHADRM Cc1ccc(NC(=O)C(C)(C)C)cc1N[C@@H](C(=O)[O-])c1cccnc1 ZINC000832943435 605001026 /nfs/dbraw/zinc/00/10/26/605001026.db2.gz YRNGOVIRVCAQAB-MRXNPFEDSA-N -1 0 341.411 3.612 20 0 EHADRM CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000833528876 605031566 /nfs/dbraw/zinc/03/15/66/605031566.db2.gz LYAOFVNGTHDMEV-CYBMUJFWSA-N -1 0 334.412 3.815 20 0 EHADRM C[C@H](C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21)c1c(F)cccc1F ZINC000833402607 605039509 /nfs/dbraw/zinc/03/95/09/605039509.db2.gz QXEDKDFYOFEVLT-RYUDHWBXSA-N -1 0 345.345 3.673 20 0 EHADRM CC(C)(C)OCCCNc1ccc(Br)c(C(=O)[O-])c1 ZINC000833445677 605039531 /nfs/dbraw/zinc/03/95/31/605039531.db2.gz KWHVYKTWSIHHEP-UHFFFAOYSA-N -1 0 330.222 3.764 20 0 EHADRM C[C@H](c1ccc(C(=O)[O-])o1)N1CCN(Cc2ccccc2Cl)CC1 ZINC000833547527 605043614 /nfs/dbraw/zinc/04/36/14/605043614.db2.gz UQCVNASDTPLIAP-CYBMUJFWSA-N -1 0 348.830 3.510 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)N2CCSC[C@H]2CC(=O)[O-])cc1 ZINC000262828642 605045057 /nfs/dbraw/zinc/04/50/57/605045057.db2.gz XABUIZLUUCJBNI-REMYHPOOSA-N -1 0 347.480 3.632 20 0 EHADRM CC(C)(C(=O)NCCCC(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000668267336 605051932 /nfs/dbraw/zinc/05/19/32/605051932.db2.gz LANWBDQLXDXHAG-UHFFFAOYSA-N -1 0 325.408 3.612 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CCO1 ZINC000833471280 605074850 /nfs/dbraw/zinc/07/48/50/605074850.db2.gz NIEBNOSDHHNIBH-NHYWBVRUSA-N -1 0 339.819 3.818 20 0 EHADRM CC(C)(C)[C@H](NC(=O)C1CCC(C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000194392854 605082131 /nfs/dbraw/zinc/08/21/31/605082131.db2.gz YKAZYFDHQQUMEJ-ZBCRRDGASA-N -1 0 335.419 3.920 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)C2CCC(C(=O)[O-])CC2)C1 ZINC000192968023 605087860 /nfs/dbraw/zinc/08/78/60/605087860.db2.gz MYZOSIBRLRPZGN-VWLISTAJSA-N -1 0 333.403 3.626 20 0 EHADRM C[C@@H]1CC/C(=C/C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)C1 ZINC000833600270 605093921 /nfs/dbraw/zinc/09/39/21/605093921.db2.gz CXNMYGAPTHHTIF-SBMLRHLQSA-N -1 0 338.201 3.832 20 0 EHADRM C[C@H]1CC[C@]2(CCN(C(=O)Nc3ccc(F)c(NC(=O)[O-])c3)C2)C1 ZINC000833610198 605096079 /nfs/dbraw/zinc/09/60/79/605096079.db2.gz JPKMWNINUIWXCU-GTNSWQLSSA-N -1 0 335.379 3.960 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000190623898 605105873 /nfs/dbraw/zinc/10/58/73/605105873.db2.gz OIKMDPKCSNKPAG-UHFFFAOYSA-N -1 0 332.227 3.543 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)C1CCC(C(=O)[O-])CC1 ZINC000194417354 605111283 /nfs/dbraw/zinc/11/12/83/605111283.db2.gz HFBOJHGJLLDNPG-UHFFFAOYSA-N -1 0 339.819 3.957 20 0 EHADRM CC(C)[C@@H](C)N(C)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000132506587 605127702 /nfs/dbraw/zinc/12/77/02/605127702.db2.gz NWKDUIPPAUNJOD-SECBINFHSA-N -1 0 343.221 3.656 20 0 EHADRM C[C@H](CC(=O)N(C)c1ccccc1C(=O)[O-])c1ccc(F)cc1F ZINC000833515913 605138667 /nfs/dbraw/zinc/13/86/67/605138667.db2.gz PLRBVMHXDXJALG-LLVKDONJSA-N -1 0 333.334 3.820 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)Nc2nc(-c3ccccc3)c(CC(=O)[O-])s2)C1 ZINC000833604914 605141235 /nfs/dbraw/zinc/14/12/35/605141235.db2.gz ICGILXJSIFZAJL-WCQYABFASA-N -1 0 344.436 3.812 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)Nc2ncc(Cc3cccc(C(=O)[O-])c3)s2)C1 ZINC000833606797 605146476 /nfs/dbraw/zinc/14/64/76/605146476.db2.gz WABCTIQUDZGOLZ-YPMHNXCESA-N -1 0 344.436 3.807 20 0 EHADRM CC(C)(C)c1ccc(C2(NC(=O)CCNC(=O)[O-])CCCC2)cc1 ZINC000833450515 605150711 /nfs/dbraw/zinc/15/07/11/605150711.db2.gz SHOOBVNJQPNZQX-UHFFFAOYSA-N -1 0 332.444 3.527 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2ccccc2OC(F)(F)F)c1 ZINC000191333496 605151769 /nfs/dbraw/zinc/15/17/69/605151769.db2.gz FRDDDAADVBXVIH-UHFFFAOYSA-N -1 0 331.271 3.597 20 0 EHADRM Cc1c(C(=O)[O-])csc1NC(=O)c1nc(Cl)ccc1Cl ZINC000833741327 605160276 /nfs/dbraw/zinc/16/02/76/605160276.db2.gz HTAHNKKTKZKONF-UHFFFAOYSA-N -1 0 331.180 3.709 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)NCCC1=CCCC1)c1ccccc1 ZINC000833415570 605163039 /nfs/dbraw/zinc/16/30/39/605163039.db2.gz WMMJQBYQCPVTHM-MRXNPFEDSA-N -1 0 330.428 3.638 20 0 EHADRM CC(C)Sc1ccccc1NC(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000833508407 605167582 /nfs/dbraw/zinc/16/75/82/605167582.db2.gz QYKHRGCUCMNYGG-UHFFFAOYSA-N -1 0 333.413 3.868 20 0 EHADRM CC(C)(C)SCCCC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000833446742 605189722 /nfs/dbraw/zinc/18/97/22/605189722.db2.gz GJDGCORGPXPOOX-CQSZACIVSA-N -1 0 341.448 3.770 20 0 EHADRM Cc1sc(NC(=O)CSc2ccc(F)cc2)c(C(=O)[O-])c1C ZINC000314097533 605194489 /nfs/dbraw/zinc/19/44/89/605194489.db2.gz AUEBIRMKOSZXET-UHFFFAOYSA-N -1 0 339.413 3.933 20 0 EHADRM CC(C)Oc1cccc([C@H](C)NC(=O)C2CCC(C(=O)[O-])CC2)c1 ZINC000194391916 605222791 /nfs/dbraw/zinc/22/27/91/605222791.db2.gz ZMXYLXKYJYTUFZ-NFOMZHRRSA-N -1 0 333.428 3.542 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)Cc1ccccc1SC ZINC000833681313 605223446 /nfs/dbraw/zinc/22/34/46/605223446.db2.gz XPWFOMNURGROBG-UHFFFAOYSA-N -1 0 334.393 3.548 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C)C(=O)Cc1ccccc1C(=O)[O-] ZINC000322092002 605231267 /nfs/dbraw/zinc/23/12/67/605231267.db2.gz FGQYRTYNYLJCOQ-GFCCVEGCSA-N -1 0 331.799 3.800 20 0 EHADRM CCC(CC)n1ccc(C(=O)Nc2ccccc2CN(C)C(=O)[O-])n1 ZINC000826576380 605245254 /nfs/dbraw/zinc/24/52/54/605245254.db2.gz UTAVTKWFFGMUMD-UHFFFAOYSA-N -1 0 344.415 3.606 20 0 EHADRM O=C([O-])N1CCC(Nc2ccc(-c3cnc(C4CC4)o3)cc2)CC1 ZINC000831963495 605247163 /nfs/dbraw/zinc/24/71/63/605247163.db2.gz IMGFVHJIIQDXGS-UHFFFAOYSA-N -1 0 327.384 3.773 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000649372451 605273879 /nfs/dbraw/zinc/27/38/79/605273879.db2.gz NGHSRRUMCBBXKH-CYBMUJFWSA-N -1 0 339.819 3.561 20 0 EHADRM C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833547651 605280583 /nfs/dbraw/zinc/28/05/83/605280583.db2.gz FBDZEDFEAQABKR-JTQLQIEISA-N -1 0 347.346 3.846 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000833455216 605307157 /nfs/dbraw/zinc/30/71/57/605307157.db2.gz UAZITAOSXOHKAG-INIZCTEOSA-N -1 0 333.403 3.769 20 0 EHADRM CC(C)(C)CC(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000833422602 605308895 /nfs/dbraw/zinc/30/88/95/605308895.db2.gz JUJASWMSSIXGHK-GFCCVEGCSA-N -1 0 331.334 3.774 20 0 EHADRM CC(C)n1cccc1C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000833513841 605315049 /nfs/dbraw/zinc/31/50/49/605315049.db2.gz WEMYIEDMGWMUFY-SFHVURJKSA-N -1 0 336.391 3.778 20 0 EHADRM CCC(CC)[C@H]1C[C@H](NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)CCO1 ZINC000833642730 605398550 /nfs/dbraw/zinc/39/85/50/605398550.db2.gz RLTLSXONWBRDHU-NVXWUHKLSA-N -1 0 348.443 3.799 20 0 EHADRM Cc1ccc(C(=O)N(C)[C@H](C)c2cccc(O)c2)cc1NC(=O)[O-] ZINC000830182073 605398883 /nfs/dbraw/zinc/39/88/83/605398883.db2.gz PHNHIPOHVKJWBG-GFCCVEGCSA-N -1 0 328.368 3.624 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)C(F)(F)F ZINC000580882869 605399415 /nfs/dbraw/zinc/39/94/15/605399415.db2.gz NOKKOZJHFFSIRB-LBPRGKRZSA-N -1 0 346.349 3.802 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)Nc2cncc(Cl)c2Cl)cc1 ZINC000834257381 605408784 /nfs/dbraw/zinc/40/87/84/605408784.db2.gz YMBBQRMPUXOBAB-UHFFFAOYSA-N -1 0 340.166 3.660 20 0 EHADRM CCC[C@@H](C)[C@H]1CCCN1C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000826729018 605425026 /nfs/dbraw/zinc/42/50/26/605425026.db2.gz QFHFUQAMWKGOFI-AKBNIOSXSA-N -1 0 336.476 3.725 20 0 EHADRM CC(C)(C)Sc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)ccn1 ZINC000833448149 605447348 /nfs/dbraw/zinc/44/73/48/605447348.db2.gz MBHVARDNTKNMBI-OAHLLOKOSA-N -1 0 344.436 3.528 20 0 EHADRM Cc1ccc(C[C@@H](C)C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cc1 ZINC000833748841 605448361 /nfs/dbraw/zinc/44/83/61/605448361.db2.gz VXDHTNDQINLBBW-OAHLLOKOSA-N -1 0 340.423 3.922 20 0 EHADRM COc1ccc2oc(C(=O)NCC3(C(=O)[O-])CCCCC3)c(C)c2c1 ZINC000519680576 605466730 /nfs/dbraw/zinc/46/67/30/605466730.db2.gz DRJKVDBYUJEGNH-UHFFFAOYSA-N -1 0 345.395 3.515 20 0 EHADRM CC(C)Sc1ccccc1C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000191499931 605466998 /nfs/dbraw/zinc/46/69/98/605466998.db2.gz CLRDRURWHBUMPB-UHFFFAOYSA-N -1 0 335.469 3.952 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833384172 605470932 /nfs/dbraw/zinc/47/09/32/605470932.db2.gz OBUWGBIPCKDPCE-KSVUCXBSSA-N -1 0 329.440 3.748 20 0 EHADRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000825832953 605475573 /nfs/dbraw/zinc/47/55/73/605475573.db2.gz WVDJGIRUQFKIRT-PSASIEDQSA-N -1 0 346.214 3.646 20 0 EHADRM O=C([O-])NC1(c2nc(-c3c[nH]c4ncccc34)cs2)CCCC1 ZINC000834155130 605487912 /nfs/dbraw/zinc/48/79/12/605487912.db2.gz HKLZKAVHCWMDRV-UHFFFAOYSA-N -1 0 328.397 3.723 20 0 EHADRM Cc1[nH]c(C(=O)Nc2ccc(F)cc2OC(C)C)c(C)c1C(=O)[O-] ZINC000833739750 605489803 /nfs/dbraw/zinc/48/98/03/605489803.db2.gz IBIRRBZXOXSIJG-UHFFFAOYSA-N -1 0 334.347 3.508 20 0 EHADRM CN(C(=O)[O-])c1ccccc1C(=O)OCCSc1ccccc1 ZINC000833685412 605492307 /nfs/dbraw/zinc/49/23/07/605492307.db2.gz MIHIPABQGWBHDW-UHFFFAOYSA-N -1 0 331.393 3.750 20 0 EHADRM Cc1ccc(C[C@@H](C)C(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)cc1 ZINC000833748604 605497921 /nfs/dbraw/zinc/49/79/21/605497921.db2.gz PMDRDONSNVYOOC-GFCCVEGCSA-N -1 0 344.436 3.524 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)cc1 ZINC000833748513 605500247 /nfs/dbraw/zinc/50/02/47/605500247.db2.gz ODPVNMXLQZDIDG-NSHDSACASA-N -1 0 344.436 3.844 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)N1CC[C@H](NC(=O)[O-])C[C@@H]1C)C(C)C ZINC000830553158 605530647 /nfs/dbraw/zinc/53/06/47/605530647.db2.gz FTVHHXBSCZYMIV-YQQAZPJKSA-N -1 0 347.459 3.522 20 0 EHADRM CCCN(C(=O)Nc1c(C)cccc1C)C1CCN(C(=O)[O-])CC1 ZINC000826876465 605539301 /nfs/dbraw/zinc/53/93/01/605539301.db2.gz XYXUSXMEGCHKRL-UHFFFAOYSA-N -1 0 333.432 3.690 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N[C@H]2CCCC(F)(F)C2)cc1 ZINC000825427704 605548313 /nfs/dbraw/zinc/54/83/13/605548313.db2.gz YBUJPCMYFVJUFA-MFKMUULPSA-N -1 0 341.358 3.715 20 0 EHADRM CCCOc1ccccc1NC(=O)C[C@H](NC(=O)[O-])c1ccccc1 ZINC000826944673 605573516 /nfs/dbraw/zinc/57/35/16/605573516.db2.gz FGVQFJYUNXQUNL-INIZCTEOSA-N -1 0 342.395 3.813 20 0 EHADRM Cc1cccc(OCCN(C)C(=O)c2ccc(NC(=O)[O-])c(C)c2)c1 ZINC000830526680 605586645 /nfs/dbraw/zinc/58/66/45/605586645.db2.gz CIMNQRWPBJWALL-UHFFFAOYSA-N -1 0 342.395 3.544 20 0 EHADRM C[C@@H]1CC[C@@H](C(F)(F)F)CN1c1nc(Cl)c(C(=O)[O-])s1 ZINC000833605314 605608945 /nfs/dbraw/zinc/60/89/45/605608945.db2.gz IYOATGYTZGILMT-PHDIDXHHSA-N -1 0 328.743 3.662 20 0 EHADRM CCOc1cccc([C@H](C)NC(=O)c2ccc(NC(=O)[O-])c(C)c2)c1 ZINC000827448519 605654409 /nfs/dbraw/zinc/65/44/09/605654409.db2.gz PPYPSVWMVFKZHM-ZDUSSCGKSA-N -1 0 342.395 3.975 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)c2ccc(NC(=O)[O-])c(C)c2)s1 ZINC000830289226 605697980 /nfs/dbraw/zinc/69/79/80/605697980.db2.gz REGQDRXDTDDGNM-LLVKDONJSA-N -1 0 332.425 3.816 20 0 EHADRM COc1cccc(F)c1[C@H](C)NC(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000829565352 605701759 /nfs/dbraw/zinc/70/17/59/605701759.db2.gz TVLAXGXKVTZOBS-NSHDSACASA-N -1 0 346.358 3.724 20 0 EHADRM Cc1cc(C(=O)N[C@](C)(C2CC2)C(F)(F)F)ccc1NC(=O)[O-] ZINC000829934709 605704085 /nfs/dbraw/zinc/70/40/85/605704085.db2.gz PJESNJJDVAMUGE-CQSZACIVSA-N -1 0 330.306 3.546 20 0 EHADRM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000833606223 605713464 /nfs/dbraw/zinc/71/34/64/605713464.db2.gz OEXZGDNTVDZBNE-VXNVDRBHSA-N -1 0 336.335 3.641 20 0 EHADRM Cc1cc(C(=O)N2CCc3ccc(F)c(F)c3C2)ccc1NC(=O)[O-] ZINC000829935237 605716569 /nfs/dbraw/zinc/71/65/69/605716569.db2.gz XUHRBLGLTGLUSI-UHFFFAOYSA-N -1 0 346.333 3.562 20 0 EHADRM O=C([O-])N1CCCCC[C@H]1c1noc(-c2cncc3ccccc32)n1 ZINC000834107163 605723167 /nfs/dbraw/zinc/72/31/67/605723167.db2.gz HMTWJEZYMLAMRE-HNNXBMFYSA-N -1 0 338.367 3.880 20 0 EHADRM CCCc1sc(C(=O)N2CC[C@H](NC(=O)[O-])C[C@@H]2C)cc1CC ZINC000826959860 605748503 /nfs/dbraw/zinc/74/85/03/605748503.db2.gz WIHAMMDSFZYQEB-AAEUAGOBSA-N -1 0 338.473 3.524 20 0 EHADRM O=C([O-])N[C@@H]1CCCCCC[C@H]1C(=O)Nc1scnc1C1CC1 ZINC000834185484 605756980 /nfs/dbraw/zinc/75/69/80/605756980.db2.gz PTFKIYKPZHLEQY-VXGBXAGGSA-N -1 0 337.445 3.566 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N2CCC[C@H]2c2cccs2)c1 ZINC000834265861 605757430 /nfs/dbraw/zinc/75/74/30/605757430.db2.gz SCIZUAMGNPUUBS-AWEZNQCLSA-N -1 0 330.409 3.744 20 0 EHADRM CCCCc1noc([C@@H](C)OC(=O)c2ccc(NC(=O)[O-])c(C)c2)n1 ZINC000826853528 605828979 /nfs/dbraw/zinc/82/89/79/605828979.db2.gz OVOUJFPNMOHRCQ-LLVKDONJSA-N -1 0 347.371 3.729 20 0 EHADRM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)C(C)(C)CCCc1ccccc1 ZINC000825803187 605851626 /nfs/dbraw/zinc/85/16/26/605851626.db2.gz ZANMXROIAZTZSO-DOTOQJQBSA-N -1 0 346.471 3.683 20 0 EHADRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000825800272 605864233 /nfs/dbraw/zinc/86/42/33/605864233.db2.gz CPJCTJQCCODJAE-RPCUQHNUSA-N -1 0 348.487 3.630 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)N(C1CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000830473830 605877345 /nfs/dbraw/zinc/87/73/45/605877345.db2.gz YELUTQJBJRIFBT-HNNXBMFYSA-N -1 0 345.443 3.867 20 0 EHADRM O=C([O-])NCCCCC(=O)N(Cc1ccsc1)c1ccccc1 ZINC000834233885 605920686 /nfs/dbraw/zinc/92/06/86/605920686.db2.gz HOBIMEBLVPDRNC-UHFFFAOYSA-N -1 0 332.425 3.719 20 0 EHADRM O=C([O-])NCCCCC(=O)N1CC=C(c2cccc3ccccc32)C1 ZINC000834235156 605931771 /nfs/dbraw/zinc/93/17/71/605931771.db2.gz SHTGMLHPTQDTGB-UHFFFAOYSA-N -1 0 338.407 3.503 20 0 EHADRM C[C@H]1COc2ccccc2CN1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000833631731 605971437 /nfs/dbraw/zinc/97/14/37/605971437.db2.gz OUMGLQSKACGSTO-LBPRGKRZSA-N -1 0 341.367 3.592 20 0 EHADRM O=C([O-])N1CCC(CCC(=O)N2CCC[C@@H]2c2cccs2)CC1 ZINC000834077814 606001485 /nfs/dbraw/zinc/00/14/85/606001485.db2.gz YQONQVHYQLGKMV-CQSZACIVSA-N -1 0 336.457 3.582 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)c1ccc(Br)o1 ZINC000833906015 606005299 /nfs/dbraw/zinc/00/52/99/606005299.db2.gz HDWAFYZDTKNVPI-UHFFFAOYSA-N -1 0 339.145 3.693 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCCOC1CCCCC1 ZINC000833906592 606010908 /nfs/dbraw/zinc/01/09/08/606010908.db2.gz HMAVVUOXQKVUCR-UHFFFAOYSA-N -1 0 335.404 3.556 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCc1cc(F)ccc1F ZINC000833906641 606013390 /nfs/dbraw/zinc/01/33/90/606013390.db2.gz JPMJLZRBISOBBK-UHFFFAOYSA-N -1 0 335.310 3.685 20 0 EHADRM O=C([O-])N1CCC(CCC(=O)N2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC000834077394 606017456 /nfs/dbraw/zinc/01/74/56/606017456.db2.gz WFVTWVAITKIJQJ-QGZVFWFLSA-N -1 0 348.418 3.659 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000834270664 606044283 /nfs/dbraw/zinc/04/42/83/606044283.db2.gz KXFVOYKYYSJXDE-QGZVFWFLSA-N -1 0 338.407 3.553 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N(Cc1ccco1)C1CCCC1 ZINC000834270207 606049899 /nfs/dbraw/zinc/04/98/99/606049899.db2.gz BPFDTXWVNNFSBT-UHFFFAOYSA-N -1 0 342.395 3.883 20 0 EHADRM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1cc2sccc2s1 ZINC000321351344 970763957 /nfs/dbraw/zinc/76/39/57/970763957.db2.gz XFLDQWQWCDXCTJ-LBPRGKRZSA-N -1 0 343.429 3.615 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NC[C@H](C)Sc2ccccc2)c1 ZINC001600109209 970764814 /nfs/dbraw/zinc/76/48/14/970764814.db2.gz KXNUIDYFZBDZIV-ZDUSSCGKSA-N -1 0 329.421 3.604 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc(F)cc(F)c1)c1ccc2ccccc2c1 ZINC000191474660 939036867 /nfs/dbraw/zinc/03/68/67/939036867.db2.gz OEFQILFLNWEWHW-KRWDZBQOSA-N -1 0 341.313 3.674 20 0 EHADRM CC1CCC(NC(=O)c2ccc(Oc3ccccc3)o2)(C(=O)[O-])CC1 ZINC000236817764 939045193 /nfs/dbraw/zinc/04/51/93/939045193.db2.gz VBLLCFLYUIPZKE-UHFFFAOYSA-N -1 0 343.379 3.835 20 0 EHADRM CCSc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000684750301 939052385 /nfs/dbraw/zinc/05/23/85/939052385.db2.gz XKEWMBPBVLRZMA-OAHLLOKOSA-N -1 0 348.399 3.885 20 0 EHADRM O=C([O-])[C@H](NC(=O)CCSc1ccccc1Cl)c1ccccc1 ZINC000238012935 939054631 /nfs/dbraw/zinc/05/46/31/939054631.db2.gz IPARMUMOZCKBPB-MRXNPFEDSA-N -1 0 349.839 3.764 20 0 EHADRM O=C([O-])C1(NC(=O)c2cc3c(s2)-c2ccccc2CC3)CCCC1 ZINC000238055821 939056430 /nfs/dbraw/zinc/05/64/30/939056430.db2.gz XUNUNRUJJDGXAH-UHFFFAOYSA-N -1 0 341.432 3.641 20 0 EHADRM O=C([O-])C1(NC(=O)c2ccc(C3CCCCC3)cc2)CCSCC1 ZINC000262081896 939059379 /nfs/dbraw/zinc/05/93/79/939059379.db2.gz DSVFTKTZEPXBAO-UHFFFAOYSA-N -1 0 347.480 3.815 20 0 EHADRM C[C@@](NC(=O)c1cc2cc(Cl)ccc2[nH]1)(C(=O)[O-])c1ccccc1 ZINC000766960659 939081060 /nfs/dbraw/zinc/08/10/60/939081060.db2.gz BXEYWOMRHLLVOE-SFHVURJKSA-N -1 0 342.782 3.551 20 0 EHADRM C/C(=C\C(=O)N[C@@H](C(=O)[O-])c1ccccc1F)c1ccccc1Cl ZINC000776666745 939103920 /nfs/dbraw/zinc/10/39/20/939103920.db2.gz VMUGDZSDZJTLAY-SXSDINLZSA-N -1 0 347.773 3.825 20 0 EHADRM O=C([O-])[C@H](NC(=O)/C=C/C1CCCCC1)c1ccc(Cl)c(F)c1 ZINC000776687839 939104468 /nfs/dbraw/zinc/10/44/68/939104468.db2.gz BPMVOPAFBUAMBF-YXMGTMDOSA-N -1 0 339.794 3.858 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000263167035 939105910 /nfs/dbraw/zinc/10/59/10/939105910.db2.gz QGHXMYOTOYRXCB-RDBSUJKOSA-N -1 0 349.839 3.756 20 0 EHADRM C[C@H](CC(=O)N[C@@](C)(C(=O)[O-])c1ccc(F)cc1)c1ccc(F)cc1 ZINC000263284997 939112948 /nfs/dbraw/zinc/11/29/48/939112948.db2.gz ZGXSZHASJMIAJJ-CWTRNNRKSA-N -1 0 347.361 3.575 20 0 EHADRM CC(C)c1ccc(C(=O)NC2(C(=O)[O-])CCSCC2)cc1Cl ZINC000263516468 939114189 /nfs/dbraw/zinc/11/41/89/939114189.db2.gz DWIYRUJWUJQHOU-UHFFFAOYSA-N -1 0 341.860 3.544 20 0 EHADRM CCC1CCC(NC(=O)c2ccc(CSC)cc2)(C(=O)[O-])CC1 ZINC000320553254 939123721 /nfs/dbraw/zinc/12/37/21/939123721.db2.gz DIPKXGLFIDWUHA-UHFFFAOYSA-N -1 0 335.469 3.703 20 0 EHADRM C[C@H]1CCc2c(C(=O)N[C@](C)(C(=O)[O-])c3ccccc3)csc2C1 ZINC000324327422 939125473 /nfs/dbraw/zinc/12/54/73/939125473.db2.gz AOUKFNDGATVDMO-BUXKBTBVSA-N -1 0 343.448 3.603 20 0 EHADRM CCC1CCC(NC(=O)C[C@@H](C)c2cccc(OC)c2)(C(=O)[O-])CC1 ZINC000346013689 939128477 /nfs/dbraw/zinc/12/84/77/939128477.db2.gz JQSNJLSKKMUHQE-ZUIJCZDSSA-N -1 0 347.455 3.729 20 0 EHADRM CCC[C@H](NC(=O)NC1(C(=O)[O-])CCCC1)c1ccc(F)cc1F ZINC000780660556 939144157 /nfs/dbraw/zinc/14/41/57/939144157.db2.gz TYDXCIQMWMLVLM-AWEZNQCLSA-N -1 0 340.370 3.503 20 0 EHADRM C[C@@H](Oc1cccc2ccccc21)C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000430311659 939148638 /nfs/dbraw/zinc/14/86/38/939148638.db2.gz KDDZIXHKDUPVQZ-CQSZACIVSA-N -1 0 341.407 3.511 20 0 EHADRM Cc1cccc([C@@H](NC(=O)Nc2nc(C3CC3)cs2)C(=O)[O-])c1C ZINC000788319883 939149953 /nfs/dbraw/zinc/14/99/53/939149953.db2.gz AFSPGSJXMCMZNE-CQSZACIVSA-N -1 0 345.424 3.585 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2c(ccc3ccccc23)[nH]1)c1ccccc1 ZINC000431463632 939152738 /nfs/dbraw/zinc/15/27/38/939152738.db2.gz GNZVJJWXNVUILE-IBGZPJMESA-N -1 0 344.370 3.877 20 0 EHADRM Cc1cc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)ccc1F ZINC000431858917 939163185 /nfs/dbraw/zinc/16/31/85/939163185.db2.gz PVKOBLRKLKHRQF-SFHVURJKSA-N -1 0 337.350 3.843 20 0 EHADRM Cc1cc(C)cc([C@@H](C)NC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000797720222 939181571 /nfs/dbraw/zinc/18/15/71/939181571.db2.gz GTPXCJKQTJCACQ-QRWLVFNGSA-N -1 0 340.423 3.664 20 0 EHADRM Cc1cc(C(=O)N[C@H](C(=O)[O-])c2ccc(C)c(C)c2)c(C)n1C1CC1 ZINC000448995413 939206175 /nfs/dbraw/zinc/20/61/75/939206175.db2.gz PXHOJYABBNRWJR-SFHVURJKSA-N -1 0 340.423 3.612 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000448998021 939206503 /nfs/dbraw/zinc/20/65/03/939206503.db2.gz VJVJZTIKCWQOLQ-YGRLFVJLSA-N -1 0 337.828 3.522 20 0 EHADRM O=C([O-])[C@H](NC(=O)C[C@H]1C=CCC1)c1ccc(Cl)cc1Cl ZINC000449001371 939207261 /nfs/dbraw/zinc/20/72/61/939207261.db2.gz KQRPCCCZCQQALB-LKFCYVNXSA-N -1 0 328.195 3.592 20 0 EHADRM CC[C@](NC(=O)c1ccc2ccccc2c1)(C(=O)[O-])c1ccccc1 ZINC000485366305 939226794 /nfs/dbraw/zinc/22/67/94/939226794.db2.gz FLJVWGJBWJBERO-OAQYLSRUSA-N -1 0 333.387 3.960 20 0 EHADRM CCSc1cccc(NC(=O)N[C@H](C(=O)[O-])c2cccs2)c1 ZINC000516531701 939244634 /nfs/dbraw/zinc/24/46/34/939244634.db2.gz HPTDZKBXHWUFNW-ZDUSSCGKSA-N -1 0 336.438 3.808 20 0 EHADRM COc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)c(C)c1 ZINC000900328764 939274761 /nfs/dbraw/zinc/27/47/61/939274761.db2.gz VTZFJPLTBGJBOU-QGZVFWFLSA-N -1 0 342.395 3.568 20 0 EHADRM CCCCCc1ccc(NC(=O)N[C@]2(C(=O)[O-])CCSC2)cc1 ZINC000555852079 939306930 /nfs/dbraw/zinc/30/69/30/939306930.db2.gz XTBDTSZYWQHJDA-QGZVFWFLSA-N -1 0 336.457 3.501 20 0 EHADRM CCSCc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000564314247 939344248 /nfs/dbraw/zinc/34/42/48/939344248.db2.gz IGUSYXMBVGWMFF-INIZCTEOSA-N -1 0 344.436 3.887 20 0 EHADRM CC(C)[C@H](CNC(=O)N[C@H](C(=O)[O-])c1ccsc1)c1ccccc1 ZINC000565407392 939348914 /nfs/dbraw/zinc/34/89/14/939348914.db2.gz ZOLFVPWKEVZDBW-HOTGVXAUSA-N -1 0 346.452 3.613 20 0 EHADRM CC[C@@](NC(=O)[C@@H](C)OC1CCCCCC1)(C(=O)[O-])c1ccccc1 ZINC000567535117 939362449 /nfs/dbraw/zinc/36/24/49/939362449.db2.gz XCUOVKXEZXCERJ-QRWLVFNGSA-N -1 0 347.455 3.621 20 0 EHADRM Cc1ccc(CNC(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2C)c(C)c1 ZINC000570578827 939384018 /nfs/dbraw/zinc/38/40/18/939384018.db2.gz XGRAJPQZYAXZIA-GOSISDBHSA-N -1 0 340.423 3.545 20 0 EHADRM CC1(C)C[C@H](NC(=O)N[C@H](C(=O)[O-])c2cccs2)c2ccccc21 ZINC000570629331 939385134 /nfs/dbraw/zinc/38/51/34/939385134.db2.gz XQYWRDDERZDCER-ZFWWWQNUSA-N -1 0 344.436 3.596 20 0 EHADRM C[C@H](NC(=O)N[C@](C)(C(=O)[O-])C1CC1)c1cccc(Cl)c1Cl ZINC000570956770 939387761 /nfs/dbraw/zinc/38/77/61/939387761.db2.gz JVSAIKSPYAGORC-AYVTZFPOSA-N -1 0 345.226 3.607 20 0 EHADRM CC(C)Oc1ccc([C@@H](C)NC(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC000572510995 939399649 /nfs/dbraw/zinc/39/96/49/939399649.db2.gz WVXSVJOMGXUXCV-CQSZACIVSA-N -1 0 348.443 3.622 20 0 EHADRM CC(C)CCNC(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000573673433 939720403 /nfs/dbraw/zinc/72/04/03/939720403.db2.gz ZOCMBOAAEIDRBA-HNNXBMFYSA-N -1 0 347.242 3.639 20 0 EHADRM CSCCc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000573752874 939720780 /nfs/dbraw/zinc/72/07/80/939720780.db2.gz JEXYHWBNMGFKRG-INIZCTEOSA-N -1 0 344.436 3.540 20 0 EHADRM CCc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(F)c(C)c2)cc1 ZINC000576142494 939737129 /nfs/dbraw/zinc/73/71/29/939737129.db2.gz JIFHNFDWVMFUJP-INIZCTEOSA-N -1 0 330.359 3.644 20 0 EHADRM C[C@@H]1CCC[C@@H]1NC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000577817036 939749574 /nfs/dbraw/zinc/74/95/74/939749574.db2.gz BIVMNHFACYMAHT-JCOFBHIZSA-N -1 0 345.226 3.607 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)cc1 ZINC000581921058 939780962 /nfs/dbraw/zinc/78/09/62/939780962.db2.gz KGPKEEIIFKOVMX-CXAGYDPISA-N -1 0 344.386 3.629 20 0 EHADRM O=C([O-])[C@@H](NC(=O)NCc1ccsc1)c1ccc2ccccc2c1 ZINC000581921454 939781073 /nfs/dbraw/zinc/78/10/73/939781073.db2.gz OFYCMVCWAAKITQ-INIZCTEOSA-N -1 0 340.404 3.526 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)c1ccccc1F ZINC000630146065 939812593 /nfs/dbraw/zinc/81/25/93/939812593.db2.gz IBYMICBDSYWSKY-IIDMSEBBSA-N -1 0 341.382 3.652 20 0 EHADRM Cc1cc([C@H](NC(=O)c2ccc(C3CC3)cc2)C(=O)[O-])ccc1F ZINC000659157165 939848185 /nfs/dbraw/zinc/84/81/85/939848185.db2.gz OEDRYKAGSUSSJC-KRWDZBQOSA-N -1 0 327.355 3.567 20 0 EHADRM CC[C@](NC(=O)CC1CC(F)(F)C1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000668286114 939860828 /nfs/dbraw/zinc/86/08/28/939860828.db2.gz ZRGKCLOCYUHMRK-MRXNPFEDSA-N -1 0 345.773 3.582 20 0 EHADRM CC(C)Oc1ccccc1[C@H](C)NC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC000663083189 939853530 /nfs/dbraw/zinc/85/35/30/939853530.db2.gz JFMYNSHWPNBHGH-GUYCJALGSA-N -1 0 333.428 3.542 20 0 EHADRM CC[C@@H](CC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000675980484 939864987 /nfs/dbraw/zinc/86/49/87/939864987.db2.gz UEFOTHHXYSLSOW-MGPUTAFESA-N -1 0 325.408 3.687 20 0 EHADRM C[C@@H](CC(=O)N[C@](C)(C(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000683308410 939870468 /nfs/dbraw/zinc/87/04/68/939870468.db2.gz SKHSRAJVMSIQML-BUXKBTBVSA-N -1 0 347.361 3.575 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC000683319675 939871002 /nfs/dbraw/zinc/87/10/02/939871002.db2.gz RMJCSVOGDHOHEI-MEDUHNTESA-N -1 0 349.789 3.600 20 0 EHADRM CCCCCC[C@@H](C)NC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000321679943 970796757 /nfs/dbraw/zinc/79/67/57/970796757.db2.gz JOAYCFXEAQDMMZ-HUUCEWRRSA-N -1 0 326.481 3.878 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)Nc1cccc(Cl)c1)CC2 ZINC000321937538 970827047 /nfs/dbraw/zinc/82/70/47/970827047.db2.gz TXQXSDAUBMLBHG-UHFFFAOYSA-N -1 0 330.771 3.628 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)CCCc2cccs2)c2ccccc21 ZINC000322305193 970870689 /nfs/dbraw/zinc/87/06/89/970870689.db2.gz ALZLFKUOSJHLQN-HNNXBMFYSA-N -1 0 329.421 3.676 20 0 EHADRM C[C@@H]1CCN(Cc2coc(-c3cccc(Cl)c3)n2)[C@H](C(=O)[O-])C1 ZINC000322501298 970895724 /nfs/dbraw/zinc/89/57/24/970895724.db2.gz OBOMCQFHCVCINO-ABAIWWIYSA-N -1 0 334.803 3.680 20 0 EHADRM O=C([O-])c1ccc(Oc2cc(Cl)ccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000322863006 970937927 /nfs/dbraw/zinc/93/79/27/970937927.db2.gz UMMDXQFQHLNBHT-UHFFFAOYSA-N -1 0 338.659 3.647 20 0 EHADRM O=C(/C=C/c1ccc(C(=O)[O-])o1)NCc1ccc2sccc2c1 ZINC001601236628 970961463 /nfs/dbraw/zinc/96/14/63/970961463.db2.gz UBHPAISERQQYGV-ZZXKWVIFSA-N -1 0 327.361 3.522 20 0 EHADRM CC(C)(C)c1cc(C(=O)NCCCCCCC(=O)[O-])cc(Cl)n1 ZINC000323089627 970965979 /nfs/dbraw/zinc/96/59/79/970965979.db2.gz WCLXIBSXZMFVMU-UHFFFAOYSA-N -1 0 340.851 3.797 20 0 EHADRM O=C([O-])c1ccc(NC(=O)/C=C\c2csc(C(F)(F)F)c2)nc1 ZINC001601246567 970966538 /nfs/dbraw/zinc/96/65/38/970966538.db2.gz XXYYQVXRADXKDW-RJRFIUFISA-N -1 0 342.298 3.512 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)C[C@H]1OCc2cc(Cl)ccc21 ZINC001601260016 970967728 /nfs/dbraw/zinc/96/77/28/970967728.db2.gz OSIHSTMIFSWRIK-GFCCVEGCSA-N -1 0 337.784 3.700 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CC=C(C(F)(F)F)CC2)ccc1Cl ZINC000323268135 970985017 /nfs/dbraw/zinc/98/50/17/970985017.db2.gz IISUJFRZWCEBKY-UHFFFAOYSA-N -1 0 348.708 3.765 20 0 EHADRM COCc1cccc(Nc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC000323716148 971032043 /nfs/dbraw/zinc/03/20/43/971032043.db2.gz MZMSDCIBHWNRNP-UHFFFAOYSA-N -1 0 336.731 3.836 20 0 EHADRM O=C([O-])[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2ccc(Cl)s2)C1 ZINC000324083364 971082090 /nfs/dbraw/zinc/08/20/90/971082090.db2.gz LQFLYPJVZLEKAR-WAFBPQNNSA-N -1 0 347.823 3.705 20 0 EHADRM CCCc1sc(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1CC ZINC000324483112 971124902 /nfs/dbraw/zinc/12/49/02/971124902.db2.gz JKTZXYRDTCNLAL-LJQANCHMSA-N -1 0 345.464 3.993 20 0 EHADRM C[C@@H](NC(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000324643875 971143183 /nfs/dbraw/zinc/14/31/83/971143183.db2.gz XZJURFYJAVSEJJ-GFCCVEGCSA-N -1 0 346.814 3.641 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001602471150 971204512 /nfs/dbraw/zinc/20/45/12/971204512.db2.gz FYAAUSOJANORMX-WDEREUQCSA-N -1 0 335.281 3.544 20 0 EHADRM O=C([O-])[C@@H]1CCN(CCCOc2ccc(F)cc2)c2ccccc21 ZINC000325447282 971216804 /nfs/dbraw/zinc/21/68/04/971216804.db2.gz WLVGFZRLPCAJPO-QGZVFWFLSA-N -1 0 329.371 3.673 20 0 EHADRM COc1ccc(NC(=O)c2ccccc2C(F)(F)F)c(C(=O)[O-])c1 ZINC000325459184 971218332 /nfs/dbraw/zinc/21/83/32/971218332.db2.gz ZTOMMQVYBPRGKN-UHFFFAOYSA-N -1 0 339.269 3.665 20 0 EHADRM C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C1 ZINC000326094788 971266881 /nfs/dbraw/zinc/26/68/81/971266881.db2.gz TXJFFGQLFMGUCP-MGPQQGTHSA-N -1 0 332.444 3.947 20 0 EHADRM C[C@H](C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000326145366 971270449 /nfs/dbraw/zinc/27/04/49/971270449.db2.gz QNFXQZRNGMMHLD-VIFPVBQESA-N -1 0 348.742 3.689 20 0 EHADRM CCCOc1cccc(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])c1 ZINC000326246751 971276735 /nfs/dbraw/zinc/27/67/35/971276735.db2.gz NHNMODRGCLCYBE-KRWDZBQOSA-N -1 0 333.428 3.629 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OCCCCC1CCOCC1 ZINC000326357869 971286203 /nfs/dbraw/zinc/28/62/03/971286203.db2.gz WNPYDMQNMCAPCQ-SOFGYWHQSA-N -1 0 334.412 3.769 20 0 EHADRM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000326378757 971287617 /nfs/dbraw/zinc/28/76/17/971287617.db2.gz HQGMZPAKZOPSGH-NSHDSACASA-N -1 0 348.296 3.719 20 0 EHADRM Cc1cc(Oc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000326639161 971311558 /nfs/dbraw/zinc/31/15/58/971311558.db2.gz VQVIORDGRXPNSM-XVNBXDOJSA-N -1 0 344.279 3.702 20 0 EHADRM CCc1ccc(NC(=O)CCOc2cccc(C)c2)c(C(=O)[O-])c1 ZINC000326779288 971327154 /nfs/dbraw/zinc/32/71/54/971327154.db2.gz UFCOFBSZIFNIPW-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)c2ccc3c(c2)CCCC3)c2ccccc21 ZINC000326988666 971354720 /nfs/dbraw/zinc/35/47/20/971354720.db2.gz XQMSIRCZJFEWGG-SFHVURJKSA-N -1 0 335.403 3.784 20 0 EHADRM CC(C)c1ccc(OCC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000327057592 971360737 /nfs/dbraw/zinc/36/07/37/971360737.db2.gz OAELLAIDIIYFMU-INIZCTEOSA-N -1 0 347.455 3.538 20 0 EHADRM COc1ccccc1Oc1ccc(NC(=O)C[C@@H](C)CC(=O)[O-])cc1 ZINC000327330915 971388875 /nfs/dbraw/zinc/38/88/75/971388875.db2.gz CPEDEDICEBIKQX-CYBMUJFWSA-N -1 0 343.379 3.927 20 0 EHADRM Cc1ccc(C)c(OCCCOc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC000327687472 971418378 /nfs/dbraw/zinc/41/83/78/971418378.db2.gz QIRDDDFISFJQRW-UHFFFAOYSA-N -1 0 345.351 3.758 20 0 EHADRM CCc1cc(NC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)ccc1C ZINC000327702107 971420447 /nfs/dbraw/zinc/42/04/47/971420447.db2.gz XKHBIFDYIVKGOI-GOSISDBHSA-N -1 0 338.407 3.773 20 0 EHADRM O=C([O-])/C=C\c1ccc(OCCOc2cccc3ncccc32)cc1 ZINC000327723007 971421537 /nfs/dbraw/zinc/42/15/37/971421537.db2.gz FIGBXICVZUEGSY-FLIBITNWSA-N -1 0 335.359 3.790 20 0 EHADRM C/C(=C/c1c(Cl)cccc1Cl)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001602736345 971423531 /nfs/dbraw/zinc/42/35/31/971423531.db2.gz QMAVLJHVOAGUEC-YHWKNFMLSA-N -1 0 342.222 3.720 20 0 EHADRM CC(=O)Nc1cc(Cl)ccc1NC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001602760528 971483885 /nfs/dbraw/zinc/48/38/85/971483885.db2.gz LXVPFZXEPZQZOF-UHFFFAOYSA-N -1 0 346.770 3.557 20 0 EHADRM Cc1ccc(Cl)c(OCC(=O)Nc2c(C)cccc2C(=O)[O-])c1 ZINC000013431869 948782057 /nfs/dbraw/zinc/78/20/57/948782057.db2.gz KZYHFSGOEKFBFO-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM C[C@@H](C(=O)Oc1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1)C1CCC1 ZINC001573755855 948787060 /nfs/dbraw/zinc/78/70/60/948787060.db2.gz UBNDZFQNAYULOE-CYBMUJFWSA-N -1 0 348.406 3.875 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)ccc1O ZINC000033584584 948803607 /nfs/dbraw/zinc/80/36/07/948803607.db2.gz VFKPUQLEUUWEBW-UHFFFAOYSA-N -1 0 341.294 3.742 20 0 EHADRM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)Nc1cccnc1C(=O)[O-] ZINC001589561184 948811810 /nfs/dbraw/zinc/81/18/10/948811810.db2.gz KSNSLGGHMLWQCW-CYBMUJFWSA-N -1 0 347.802 3.576 20 0 EHADRM Cc1cc(Br)ccc1C(=O)Nc1ccccc1C(=O)[O-] ZINC000036829305 948817047 /nfs/dbraw/zinc/81/70/47/948817047.db2.gz GTCDBMVKVUSXDL-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM CC(C)C[C@H](NC(=O)CCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000036971197 948821487 /nfs/dbraw/zinc/82/14/87/948821487.db2.gz LLPJTKPWOMTNDU-ZDUSSCGKSA-N -1 0 332.227 3.542 20 0 EHADRM CC[C@H](NC(=O)Nc1cccc(CCC(=O)[O-])c1)c1nc(C)cs1 ZINC001589565273 948858005 /nfs/dbraw/zinc/85/80/05/948858005.db2.gz DEPNLSIVSMFNGM-AWEZNQCLSA-N -1 0 347.440 3.742 20 0 EHADRM CC[C@H](NC(=O)C1(C(=O)[O-])CCCCCC1)c1ccc(OC)cc1 ZINC001589565708 948865672 /nfs/dbraw/zinc/86/56/72/948865672.db2.gz ZLVFYXXIMDRKOX-INIZCTEOSA-N -1 0 333.428 3.688 20 0 EHADRM COc1ccc(C)cc1[C@H](C)NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000336877886 971516123 /nfs/dbraw/zinc/51/61/23/971516123.db2.gz YRVUUMNIRHZXQD-AWEZNQCLSA-N -1 0 333.428 3.606 20 0 EHADRM CCCC[C@H](NC(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)[O-] ZINC000342865386 971519009 /nfs/dbraw/zinc/51/90/09/971519009.db2.gz GBPCGBMRBROWOI-INIZCTEOSA-N -1 0 347.386 3.778 20 0 EHADRM CCN(C(=O)c1cccc(OCC(=O)[O-])c1)[C@H](C)c1ccc(F)cc1 ZINC000345768827 971519252 /nfs/dbraw/zinc/51/92/52/971519252.db2.gz BKRZEALJSWGUPV-CYBMUJFWSA-N -1 0 345.370 3.512 20 0 EHADRM Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccc(C(=O)[O-])cc3)c12 ZINC000346988634 971520867 /nfs/dbraw/zinc/52/08/67/971520867.db2.gz SNELTZIPKBBKSZ-UHFFFAOYSA-N -1 0 339.351 3.605 20 0 EHADRM CCCC[C@@H](NC(=O)c1cccc(N[C@H](C)C(C)C)c1C)C(=O)[O-] ZINC000347257682 971521928 /nfs/dbraw/zinc/52/19/28/971521928.db2.gz IIDCEPLYUUDCRJ-RHSMWYFYSA-N -1 0 334.460 3.825 20 0 EHADRM CCCC[C@@H](NC(=O)c1cncc(-c2ccc(Cl)cc2)c1)C(=O)[O-] ZINC000347261981 971523039 /nfs/dbraw/zinc/52/30/39/971523039.db2.gz OMWNRHSJASSWBY-MRXNPFEDSA-N -1 0 346.814 3.775 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)Nc1cccc(-c2cnco2)c1 ZINC000347364340 971523438 /nfs/dbraw/zinc/52/34/38/971523438.db2.gz JQEXHZBCBREABP-UHFFFAOYSA-N -1 0 336.347 3.611 20 0 EHADRM O=C([O-])c1coc(C(=O)Nc2ccccc2N2CCc3ccccc32)c1 ZINC000352391729 971528833 /nfs/dbraw/zinc/52/88/33/971528833.db2.gz OENCPJQSSYJVEN-UHFFFAOYSA-N -1 0 348.358 3.924 20 0 EHADRM CC[C@@H](Sc1nnc(-c2ccccc2)n1Cc1ccco1)C(=O)[O-] ZINC001589586815 949059345 /nfs/dbraw/zinc/05/93/45/949059345.db2.gz XMCWLUIGULKAQB-CQSZACIVSA-N -1 0 343.408 3.542 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000367515457 971548611 /nfs/dbraw/zinc/54/86/11/971548611.db2.gz RAKRXGGSGMWYRB-FRQCXROJSA-N -1 0 349.386 3.749 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC000370728152 971554478 /nfs/dbraw/zinc/55/44/78/971554478.db2.gz JZNYNLUWQWYAFU-CHWSQXEVSA-N -1 0 329.352 3.507 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)/C=C\c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000103501486 949209576 /nfs/dbraw/zinc/20/95/76/949209576.db2.gz CIKRWELYKOJQFJ-OOMMFRSMSA-N -1 0 330.211 3.622 20 0 EHADRM O=C([O-])CCC(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1 ZINC000147176975 949352654 /nfs/dbraw/zinc/35/26/54/949352654.db2.gz RGLZOFXRIYBKNZ-QGZVFWFLSA-N -1 0 349.839 3.740 20 0 EHADRM O=C([O-])c1ccc(CNc2cccc(-c3n[nH]c(C4CC4)n3)c2)s1 ZINC001595232438 949359766 /nfs/dbraw/zinc/35/97/66/949359766.db2.gz DTJIFEKPCFVOQW-UHFFFAOYSA-N -1 0 340.408 3.721 20 0 EHADRM O=C([O-])c1ccc(F)c(Oc2ncc(Br)cc2F)c1 ZINC001595235680 949392136 /nfs/dbraw/zinc/39/21/36/949392136.db2.gz CZDRPKHSRIMMBU-UHFFFAOYSA-N -1 0 330.084 3.613 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)c(F)c1 ZINC001595236117 949405386 /nfs/dbraw/zinc/40/53/86/949405386.db2.gz NUCJQTILCBYPTO-UHOFOFEASA-N -1 0 345.757 3.702 20 0 EHADRM CC[C@@H]1CCCN(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)CC1 ZINC001589621025 949411341 /nfs/dbraw/zinc/41/13/41/949411341.db2.gz GERIIXISWIKMSU-XOKHGSTOSA-N -1 0 330.428 3.521 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000178074325 949486268 /nfs/dbraw/zinc/48/62/68/949486268.db2.gz CWVQOTIOBTWGPN-NSHDSACASA-N -1 0 331.334 3.521 20 0 EHADRM O=C([O-])c1cccc(CN2CCOc3ccc(Br)cc32)c1 ZINC001595243371 949487720 /nfs/dbraw/zinc/48/77/20/949487720.db2.gz RFSGTAGSYXDWFI-UHFFFAOYSA-N -1 0 348.196 3.546 20 0 EHADRM O=C([O-])CC1(NC(=O)/C=C\c2ccc(Cl)s2)CCCCC1 ZINC000213350759 949536669 /nfs/dbraw/zinc/53/66/69/949536669.db2.gz OFSHESKFWFGMDD-ALCCZGGFSA-N -1 0 327.833 3.709 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N2CC[C@H](c3c(F)cccc3F)C2)c1 ZINC001595249863 949545792 /nfs/dbraw/zinc/54/57/92/949545792.db2.gz QQWWPSJOSIMULW-LBPRGKRZSA-N -1 0 346.333 3.684 20 0 EHADRM O=C([O-])c1ccccc1CNCc1c(F)cccc1Br ZINC001595255853 949607503 /nfs/dbraw/zinc/60/75/03/949607503.db2.gz ZYXZNEWNXQRCBE-UHFFFAOYSA-N -1 0 338.176 3.576 20 0 EHADRM O=C([O-])c1cccnc1NC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC001595260519 949658143 /nfs/dbraw/zinc/65/81/43/949658143.db2.gz IMRZKZMTPSLGFZ-SJORKVTESA-N -1 0 332.359 3.675 20 0 EHADRM CCCCC1CCC(CNC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC001589639539 949663421 /nfs/dbraw/zinc/66/34/21/949663421.db2.gz AIXQVRQEMGGCMZ-OTBWCIGPSA-N -1 0 338.492 3.735 20 0 EHADRM CCCCC[C@H](NC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)C(C)(C)C ZINC001589642528 949711004 /nfs/dbraw/zinc/71/10/04/949711004.db2.gz XRTIUWXDHZOIAY-ILXRZTDVSA-N -1 0 326.481 3.734 20 0 EHADRM CCCCCC[C@H](CC)C(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001589645145 949720898 /nfs/dbraw/zinc/72/08/98/949720898.db2.gz RMWLOCDZTPZLAT-QCTRZYONSA-N -1 0 339.476 3.512 20 0 EHADRM CCCCOc1ccc(C(=O)NC[C@@H](C(=O)[O-])C(C)C)c(Cl)c1 ZINC001589654244 949802681 /nfs/dbraw/zinc/80/26/81/949802681.db2.gz NDLKUTXHYCYSMC-CQSZACIVSA-N -1 0 341.835 3.606 20 0 EHADRM O=C([O-])c1csc(SCc2csc(-c3ccccn3)n2)n1 ZINC000379197742 971612658 /nfs/dbraw/zinc/61/26/58/971612658.db2.gz XPXONBVFJPDSBE-UHFFFAOYSA-N -1 0 335.435 3.652 20 0 EHADRM C[C@H](CC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccccc1C(F)(F)F ZINC000237407602 949959669 /nfs/dbraw/zinc/95/96/69/949959669.db2.gz JEPAIOFVQBCLOX-UTUOFQBUSA-N -1 0 343.345 3.569 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N[C@@H](C)CC(=O)[O-])c(F)c2)cc1C ZINC000237469607 949961553 /nfs/dbraw/zinc/96/15/53/949961553.db2.gz MJZNKSCECYNBCD-ZDUSSCGKSA-N -1 0 329.371 3.703 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1ccccc1Cc1ccccc1 ZINC000238158379 949995730 /nfs/dbraw/zinc/99/57/30/949995730.db2.gz NTISFLSZXLOHJS-UHFFFAOYSA-N -1 0 325.408 3.652 20 0 EHADRM CCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC000261964757 950053258 /nfs/dbraw/zinc/05/32/58/950053258.db2.gz AXQUCOBTTPRVMU-GHMZBOCLSA-N -1 0 345.317 3.544 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000262216622 950088323 /nfs/dbraw/zinc/08/83/23/950088323.db2.gz UEGUSYLMWSTMGO-GVDBMIGSSA-N -1 0 343.810 3.656 20 0 EHADRM CCCc1ccc(CCCC(=O)Nc2ncccc2C(=O)[O-])cc1 ZINC001589691553 950118844 /nfs/dbraw/zinc/11/88/44/950118844.db2.gz OWJCZGBJINIIBY-UHFFFAOYSA-N -1 0 326.396 3.694 20 0 EHADRM C[C@H](CC(=O)N([C@H](C)C(=O)[O-])C1CC1)c1cccc(C(F)(F)F)c1 ZINC000262578979 950140783 /nfs/dbraw/zinc/14/07/83/950140783.db2.gz FFQYUBUXAQKKOU-GHMZBOCLSA-N -1 0 343.345 3.663 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2ccc(-c3ccc(F)cc3)cc2F)C1 ZINC000262904319 950185552 /nfs/dbraw/zinc/18/55/52/950185552.db2.gz IQMCMQQBBTXKLE-HIFRSBDPSA-N -1 0 345.345 3.615 20 0 EHADRM COc1ccc([C@@H](C)N(C)C(=O)c2cc(C)cc(C(=O)[O-])c2)cc1 ZINC000263042452 950230071 /nfs/dbraw/zinc/23/00/71/950230071.db2.gz DCVSOIAFNTXXBZ-CYBMUJFWSA-N -1 0 327.380 3.535 20 0 EHADRM CC(C)(CCNC(=O)CCc1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000263121702 950277593 /nfs/dbraw/zinc/27/75/93/950277593.db2.gz VJSNEEQDGLNSFP-UHFFFAOYSA-N -1 0 347.455 3.558 20 0 EHADRM CCN(C(=O)Nc1cccc(C(=O)[O-])c1)[C@@H](C)c1cccc(O)c1 ZINC001589706643 950296586 /nfs/dbraw/zinc/29/65/86/950296586.db2.gz GXOUKHHAAZDKPS-LBPRGKRZSA-N -1 0 328.368 3.705 20 0 EHADRM C[C@H]1CN(C(=O)C2(c3cccc(Cl)c3)CCCC2)CC[C@@H]1C(=O)[O-] ZINC000263155445 950298731 /nfs/dbraw/zinc/29/87/31/950298731.db2.gz ZKGIIBNXLNWVBM-BBRMVZONSA-N -1 0 349.858 3.721 20 0 EHADRM Cc1ccc(C)c(OCCCCC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)c1 ZINC000263225245 950334626 /nfs/dbraw/zinc/33/46/26/950334626.db2.gz PXHAOJQUEOOBIQ-IAGOWNOFSA-N -1 0 347.455 3.564 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263372179 950413260 /nfs/dbraw/zinc/41/32/60/950413260.db2.gz VRRUMPSDWJAFBY-WDEREUQCSA-N -1 0 341.860 3.635 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Nc1cccc(Cl)c1F ZINC000315707379 950851558 /nfs/dbraw/zinc/85/15/58/950851558.db2.gz CFNHNJJRLBADSZ-SNVBAGLBSA-N -1 0 328.771 3.730 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ccnc(Oc2ccccc2)c1 ZINC001602853289 971698342 /nfs/dbraw/zinc/69/83/42/971698342.db2.gz QKWFHUPDJGJTHD-HNNXBMFYSA-N -1 0 328.368 3.559 20 0 EHADRM CCOC(=O)[C@]12CCC[C@H]1C[C@@H](Nc1cccc(CCC(=O)[O-])c1)C2 ZINC001590180394 950877624 /nfs/dbraw/zinc/87/76/24/950877624.db2.gz ZYGXTEFUOGVUAR-VPWXQRGCSA-N -1 0 345.439 3.628 20 0 EHADRM O=C([O-])CC1(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CCC1 ZINC001594977416 950938802 /nfs/dbraw/zinc/93/88/02/950938802.db2.gz ZDZGDRLOVYMWGC-UHFFFAOYSA-N -1 0 345.395 3.702 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)Cc1ccc(Cl)cc1 ZINC000320085742 950976892 /nfs/dbraw/zinc/97/68/92/950976892.db2.gz YGXZCKOJERFCHK-UHFFFAOYSA-N -1 0 329.783 3.560 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)N[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000320455114 950987716 /nfs/dbraw/zinc/98/77/16/950987716.db2.gz NTWHHLUBKBGKPH-SJCJKPOMSA-N -1 0 338.835 3.687 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c(C)s1 ZINC000320513519 950992774 /nfs/dbraw/zinc/99/27/74/950992774.db2.gz LAUSAHSJAQTZAK-OCCSQVGLSA-N -1 0 338.473 3.712 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N[C@H]2CCCc3sccc32)c1 ZINC000321396200 951014743 /nfs/dbraw/zinc/01/47/43/951014743.db2.gz XHQHDCKUGGVCFG-AWEZNQCLSA-N -1 0 330.409 3.574 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCC(C(C)(C)C)CC1)CC(=O)[O-] ZINC000321359179 951014912 /nfs/dbraw/zinc/01/49/12/951014912.db2.gz CRCHTPKLQFFVFK-AWEZNQCLSA-N -1 0 326.481 3.591 20 0 EHADRM O=C([O-])CCC(=O)N1CCCc2c(C(F)(F)F)ccc(Cl)c21 ZINC001594996345 951084088 /nfs/dbraw/zinc/08/40/88/951084088.db2.gz XJNLEJLOBHMDIM-UHFFFAOYSA-N -1 0 335.709 3.503 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CCC(=O)NC2(CC(=O)[O-])CCCCC2)o1 ZINC000325553693 951088241 /nfs/dbraw/zinc/08/82/41/951088241.db2.gz LVRUOHWRHXNNCD-ZFWWWQNUSA-N -1 0 333.428 3.629 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)c1ccsc1Br)C(=O)[O-] ZINC001602860453 971715098 /nfs/dbraw/zinc/71/50/98/971715098.db2.gz BKDIHAKYDLBUDB-SECBINFHSA-N -1 0 348.262 3.520 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2cc(-c3ccccc3)on2)c1 ZINC000326972574 951107696 /nfs/dbraw/zinc/10/76/96/951107696.db2.gz QSPMIQXKWVQMNT-UHFFFAOYSA-N -1 0 336.347 3.611 20 0 EHADRM Cc1cc(NC(=O)c2ccc(C(=O)[O-])nc2)ccc1Oc1cccnc1 ZINC000352984049 951133727 /nfs/dbraw/zinc/13/37/27/951133727.db2.gz GFYZHLAKQFFTHO-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM CN(CCC(=O)[O-])C(=O)[C@H]1CCCC[C@H]1c1nc2ccccc2s1 ZINC000378166768 951153337 /nfs/dbraw/zinc/15/33/37/951153337.db2.gz CSJXUAYVEMUYOJ-OLZOCXBDSA-N -1 0 346.452 3.503 20 0 EHADRM O=C([O-])CC[C@H]1C[C@H](C(=O)Nc2ccc(-c3ccccc3)cc2)CO1 ZINC001595005832 951196798 /nfs/dbraw/zinc/19/67/98/951196798.db2.gz QJXUUTWZAMFTQQ-WMZOPIPTSA-N -1 0 339.391 3.562 20 0 EHADRM CCOc1ccccc1[C@H](CC)NC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001593042839 951388396 /nfs/dbraw/zinc/38/83/96/951388396.db2.gz JMNGIFNFFPCKJM-DOTOQJQBSA-N -1 0 333.428 3.544 20 0 EHADRM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000391934376 951409845 /nfs/dbraw/zinc/40/98/45/951409845.db2.gz VVMXTUDBPNVTHE-NSHDSACASA-N -1 0 330.306 3.580 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(Cc2cccc(Br)c2F)C1 ZINC000394795831 951456427 /nfs/dbraw/zinc/45/64/27/951456427.db2.gz ZKPCNUZXZSRHJW-LLVKDONJSA-N -1 0 344.224 3.665 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2cccc3ccsc32)Cc2ccccc21 ZINC000395278346 951465176 /nfs/dbraw/zinc/46/51/76/951465176.db2.gz RTYFNFDNVWBXOC-MRXNPFEDSA-N -1 0 337.400 3.726 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)C(F)(F)Cc2ccccc2)c1 ZINC001595063117 951521380 /nfs/dbraw/zinc/52/13/80/951521380.db2.gz FRQWABIDSIUQNN-UHFFFAOYSA-N -1 0 333.334 3.520 20 0 EHADRM O=C([O-])CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C1CCC1 ZINC001595067709 951574864 /nfs/dbraw/zinc/57/48/64/951574864.db2.gz HTCWUTOAKQTOAQ-NWDGAFQWSA-N -1 0 342.222 3.563 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N2CCC[C@H](CC(F)(F)F)C2)c1 ZINC001595132078 952039323 /nfs/dbraw/zinc/03/93/23/952039323.db2.gz FIZCTTDNYVRPBY-GFCCVEGCSA-N -1 0 344.333 3.510 20 0 EHADRM O=C([O-])[C@@H]1CCCN1C(=O)Nc1cccc(Oc2ccccc2F)c1 ZINC001595167369 952210849 /nfs/dbraw/zinc/21/08/49/952210849.db2.gz WGJUFNAGRWKCIG-HNNXBMFYSA-N -1 0 344.342 3.699 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)ccn1 ZINC001595208658 952351631 /nfs/dbraw/zinc/35/16/31/952351631.db2.gz OLZFZJYTXZCSGY-INIZCTEOSA-N -1 0 337.379 3.539 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)cc1 ZINC001595215100 952374659 /nfs/dbraw/zinc/37/46/59/952374659.db2.gz ARZFGSYELBZIKV-UHFFFAOYSA-N -1 0 349.308 3.602 20 0 EHADRM O=C([O-])CCCCCNC(=O)NC[C@H]1CCC[C@@H]1c1ccccc1 ZINC000414607703 953397185 /nfs/dbraw/zinc/39/71/85/953397185.db2.gz IAZQEBWUBBOEHG-IAGOWNOFSA-N -1 0 332.444 3.515 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccnc(C(=O)[O-])c1)c1ccc(C)c(F)c1 ZINC001593604776 953425478 /nfs/dbraw/zinc/42/54/78/953425478.db2.gz VUOWAFOCQHWTCU-CQSZACIVSA-N -1 0 331.347 3.500 20 0 EHADRM C[C@@H](CC(=O)Nc1cccc(CC(=O)[O-])c1)c1ccc(F)cc1F ZINC000431789879 953503239 /nfs/dbraw/zinc/50/32/39/953503239.db2.gz DBUHDZMXNRPMBZ-NSHDSACASA-N -1 0 333.334 3.724 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)c1cc2c(ccnc2Cl)s1 ZINC001594771837 953565616 /nfs/dbraw/zinc/56/56/16/953565616.db2.gz BNQRLCCFMGVJLQ-UHFFFAOYSA-N -1 0 346.795 3.578 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C[C@H]1C(=O)[O-] ZINC000563143721 953595866 /nfs/dbraw/zinc/59/58/66/953595866.db2.gz ROPZXTCIOIDFGK-VXNVDRBHSA-N -1 0 349.189 3.707 20 0 EHADRM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)o1 ZINC001593636670 953612794 /nfs/dbraw/zinc/61/27/94/953612794.db2.gz HSTYLSNZRKAUIR-CTASWTNQSA-N -1 0 333.428 3.643 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2c(cccc2C2CC2)[nH]1)c1ccccc1 ZINC001594784854 953657429 /nfs/dbraw/zinc/65/74/29/953657429.db2.gz BHZWKBMOLVQMQX-SFHVURJKSA-N -1 0 334.375 3.601 20 0 EHADRM CCOc1cccc2cc([C@@H](C)NC(=O)C3(CC(=O)[O-])CCC3)oc21 ZINC000571527565 953662120 /nfs/dbraw/zinc/66/21/20/953662120.db2.gz YWSBAIJVPTWOHV-GFCCVEGCSA-N -1 0 345.395 3.654 20 0 EHADRM Cc1c(C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)oc2c1c(C)ccc2C ZINC000572121441 953668426 /nfs/dbraw/zinc/66/84/26/953668426.db2.gz WAEJUNPFODMLKQ-YGRLFVJLSA-N -1 0 329.396 3.541 20 0 EHADRM CCOCc1ccc(NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC000572321715 953668462 /nfs/dbraw/zinc/66/84/62/953668462.db2.gz GHRRYSDWURLCJV-OAHLLOKOSA-N -1 0 336.432 3.624 20 0 EHADRM C[C@H](NC(=O)C1(C(=O)[O-])CCC1)c1cc(F)c(Cl)cc1Cl ZINC000574016661 953676124 /nfs/dbraw/zinc/67/61/24/953676124.db2.gz YSEOZVMKVUSEMP-ZETCQYMHSA-N -1 0 334.174 3.565 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc(COC3CCCCC3)c2)CCC1 ZINC000574694749 953680187 /nfs/dbraw/zinc/68/01/87/953680187.db2.gz XAASKYGSPIYSFZ-UHFFFAOYSA-N -1 0 331.412 3.729 20 0 EHADRM CCc1nc(C(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)c(C)o1 ZINC001593649141 953698707 /nfs/dbraw/zinc/69/87/07/953698707.db2.gz UZWLCOKOIGNNJE-MRVPVSSYSA-N -1 0 348.424 3.682 20 0 EHADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1c(F)cccc1Sc1ccccc1 ZINC001594794417 953702630 /nfs/dbraw/zinc/70/26/30/953702630.db2.gz BDFMMPOIWITRHQ-TXEJJXNPSA-N -1 0 345.395 3.570 20 0 EHADRM O=C([O-])c1n[nH]cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC001594798157 953716781 /nfs/dbraw/zinc/71/67/81/953716781.db2.gz FJDURHGZDJIDJH-UHFFFAOYSA-N -1 0 347.783 3.742 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC001589303704 953717966 /nfs/dbraw/zinc/71/79/66/953717966.db2.gz KGQFQEBAIFTQJS-ZYHUDNBSSA-N -1 0 344.333 3.508 20 0 EHADRM O=C([O-])c1n[nH]cc1NC(=O)c1csc(-c2ccc(Cl)cc2)c1 ZINC001594799592 953726918 /nfs/dbraw/zinc/72/69/18/953726918.db2.gz XOXLUZLCBJSVIQ-UHFFFAOYSA-N -1 0 347.783 3.742 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccccc1CCC(F)(F)F ZINC001589305358 953733131 /nfs/dbraw/zinc/73/31/31/953733131.db2.gz NSRHPIQKJCFQRH-WCQYABFASA-N -1 0 343.345 3.507 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)c1ccc(-c2ccccc2F)o1 ZINC000621619387 953794435 /nfs/dbraw/zinc/79/44/35/953794435.db2.gz FFKVOZSSLKVYPM-LBPRGKRZSA-N -1 0 331.343 3.555 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2F)c1 ZINC001594809046 953798576 /nfs/dbraw/zinc/79/85/76/953798576.db2.gz JCWKKNNCIAIMRA-JKSUJKDBSA-N -1 0 328.343 3.532 20 0 EHADRM O=C([O-])c1cncc(NC(=O)Nc2cccc(CC(F)(F)F)c2)c1 ZINC001594809406 953801862 /nfs/dbraw/zinc/80/18/62/953801862.db2.gz VABSTKZUPOGCAJ-UHFFFAOYSA-N -1 0 339.273 3.529 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1ccccc1C(F)F)c1ccc(F)cc1 ZINC001594809933 953805345 /nfs/dbraw/zinc/80/53/45/953805345.db2.gz DFEWZDSJLWMMSE-ZDUSSCGKSA-N -1 0 338.285 3.711 20 0 EHADRM Cc1ccc(CO[C@H](C)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000630138235 953839970 /nfs/dbraw/zinc/83/99/70/953839970.db2.gz FTIVHUMLXIAWDD-CQSZACIVSA-N -1 0 327.380 3.545 20 0 EHADRM C[C@@H]1CCC[C@H]1CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001589318896 953840447 /nfs/dbraw/zinc/84/04/47/953840447.db2.gz CBXMPFBVBSCIOB-BDAKNGLRSA-N -1 0 328.771 3.735 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)c2ccc(OCC(=O)[O-])cc2)c2ccccc21 ZINC000630293836 953851157 /nfs/dbraw/zinc/85/11/57/953851157.db2.gz BKFXAHYOKOOZGN-KRWDZBQOSA-N -1 0 339.391 3.550 20 0 EHADRM C[C@@H](C1CC1)N(C(=O)c1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000630307215 953853535 /nfs/dbraw/zinc/85/35/35/953853535.db2.gz UHIQAOVVQUYQEM-AWEZNQCLSA-N -1 0 339.391 3.595 20 0 EHADRM CCc1cc(C)cc(CC)c1NC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000630569424 953865472 /nfs/dbraw/zinc/86/54/72/953865472.db2.gz XQINILSCPOUELU-CJNGLKHVSA-N -1 0 332.444 3.694 20 0 EHADRM CN(C(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1ccccc1Oc1ccccc1 ZINC001593682560 953970381 /nfs/dbraw/zinc/97/03/81/953970381.db2.gz JNYIRVWCGOCJTE-HUUCEWRRSA-N -1 0 325.364 3.553 20 0 EHADRM CC[C@@H](CNC(=O)c1oc2c(ccc3ccccc23)c1C)C(=O)[O-] ZINC000649263704 953992535 /nfs/dbraw/zinc/99/25/35/953992535.db2.gz HUVOWQHWAVZXAE-LBPRGKRZSA-N -1 0 325.364 3.735 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1ccc2[nH]c(C3CCCCC3)nc2c1)C1CC1 ZINC001594838222 954047430 /nfs/dbraw/zinc/04/74/30/954047430.db2.gz WBGKPKBUPANRGT-MRXNPFEDSA-N -1 0 341.411 3.660 20 0 EHADRM CC(C)[C@H](CCc1ccccc1)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001602975407 971986675 /nfs/dbraw/zinc/98/66/75/971986675.db2.gz UNDVZLVMJWWHBR-INIZCTEOSA-N -1 0 326.396 3.623 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C2CCC(c3ccccc3)CC2)C[C@H]1C1CC1 ZINC000652125794 954081708 /nfs/dbraw/zinc/08/17/08/954081708.db2.gz GMMAJFBJNVOLTR-SOTJZCEJSA-N -1 0 341.451 3.530 20 0 EHADRM COc1ccc(Cl)c(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)c1 ZINC000652470162 954087217 /nfs/dbraw/zinc/08/72/17/954087217.db2.gz POFGMFZTHMWJCC-MRXNPFEDSA-N -1 0 331.799 3.533 20 0 EHADRM O=C([O-])[C@@H](Sc1nc2cc(Br)ccc2o1)C1CC1 ZINC001594843186 954099002 /nfs/dbraw/zinc/09/90/02/954099002.db2.gz JJWBTOOVZAROMA-JTQLQIEISA-N -1 0 328.187 3.546 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000653315669 954139594 /nfs/dbraw/zinc/13/95/94/954139594.db2.gz NBEIFCZPNSOSED-ZWNOBZJWSA-N -1 0 333.384 3.632 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)[C@H]2CCCC[C@H]2C2CC2)c2ccccc21 ZINC000653327341 954154347 /nfs/dbraw/zinc/15/43/47/954154347.db2.gz WEXZCWHFXZGOQW-RUGDWHBFSA-N -1 0 327.424 3.632 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000653328737 954156766 /nfs/dbraw/zinc/15/67/66/954156766.db2.gz MGVLFAPWFBPJKC-KBPBESRZSA-N -1 0 344.436 3.618 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653331549 954161679 /nfs/dbraw/zinc/16/16/79/954161679.db2.gz SSORBPRMMYZGIB-VHSSKADRSA-N -1 0 345.439 3.544 20 0 EHADRM C[C@]1(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)CCCc2ccccc21 ZINC000653335413 954167981 /nfs/dbraw/zinc/16/79/81/954167981.db2.gz OWNUESCQTKWOGA-JUXOCIIHSA-N -1 0 349.430 3.710 20 0 EHADRM C[C@@H]1CCc2[nH]c3ccc(C(=O)NCCC(C)(C)C(=O)[O-])cc3c2C1 ZINC001589363550 954169970 /nfs/dbraw/zinc/16/99/70/954169970.db2.gz XIPXKJZGJXDYBI-GFCCVEGCSA-N -1 0 342.439 3.523 20 0 EHADRM O=C([O-])C1(C(=O)N2CCC[C@H](CC(F)(F)F)C2)CCCCCC1 ZINC001594850810 954184980 /nfs/dbraw/zinc/18/49/80/954184980.db2.gz OZEFEFFYESDQMK-GFCCVEGCSA-N -1 0 335.366 3.603 20 0 EHADRM C[C@@H]1CN(C(=O)[C@@H](C(=O)[O-])C2CCCC2)CCc2ccc(Cl)cc21 ZINC001589366004 954194631 /nfs/dbraw/zinc/19/46/31/954194631.db2.gz DZUXKFVMTWXXSS-PXAZEXFGSA-N -1 0 349.858 3.719 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1ncccc1OCC1CCCCC1 ZINC000655553794 954200229 /nfs/dbraw/zinc/20/02/29/954200229.db2.gz GWXBSLIKKJOKDK-UHFFFAOYSA-N -1 0 334.416 3.624 20 0 EHADRM O=C([O-])C1(C(=O)NCC2(Cc3ccc(F)cc3)CC2)CCCCCC1 ZINC001594857269 954250085 /nfs/dbraw/zinc/25/00/85/954250085.db2.gz UZEQWYVBLPGBAN-UHFFFAOYSA-N -1 0 347.430 3.690 20 0 EHADRM C[C@@H](NC(=O)N(C1CC1)C1CCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655901250 954281788 /nfs/dbraw/zinc/28/17/88/954281788.db2.gz HKLPKFOQNXEZJP-UHOFOFEASA-N -1 0 336.476 3.629 20 0 EHADRM CCCCCN(C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C(C)C ZINC000655905814 954288785 /nfs/dbraw/zinc/28/87/85/954288785.db2.gz DDGLGZJZNDPSFO-QLFBSQMISA-N -1 0 326.481 3.732 20 0 EHADRM CC[C@H](C)Oc1ccc(NC(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000659752346 954352781 /nfs/dbraw/zinc/35/27/81/954352781.db2.gz FHLXNVWABCTCBB-ZDUSSCGKSA-N -1 0 343.379 3.580 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1 ZINC001602984142 972008502 /nfs/dbraw/zinc/00/85/02/972008502.db2.gz SFIZQMHSUVMOFK-OAHLLOKOSA-N -1 0 346.814 3.603 20 0 EHADRM O=C([O-])C1(C(=O)OCc2c(Cl)ccc(F)c2Cl)CC=CC1 ZINC001594876529 954380799 /nfs/dbraw/zinc/38/07/99/954380799.db2.gz OTYCEBKMYUFKBQ-UHFFFAOYSA-N -1 0 333.142 3.597 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)Nc1ccccc1SC(F)(F)F ZINC001593746047 954386795 /nfs/dbraw/zinc/38/67/95/954386795.db2.gz DBCNQFKJNOSJHX-UHFFFAOYSA-N -1 0 336.335 3.627 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Oc2ccc(-c3cscn3)cc2)CC=CCC1 ZINC001594877698 954391498 /nfs/dbraw/zinc/39/14/98/954391498.db2.gz AQIUTLNFYYQFMC-QGZVFWFLSA-N -1 0 329.377 3.527 20 0 EHADRM O=C([O-])[C@]1(C(=O)OCc2nc(-c3ccccc3)cs2)CC=CCC1 ZINC001594878634 954397580 /nfs/dbraw/zinc/39/75/80/954397580.db2.gz LRPDBRXJHNQWPD-SFHVURJKSA-N -1 0 343.404 3.664 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1c1nc2cccc(OC(F)F)c2s1 ZINC000662892974 954400323 /nfs/dbraw/zinc/40/03/23/954400323.db2.gz HKUZLUQSQBZTES-IUCAKERBSA-N -1 0 342.367 3.587 20 0 EHADRM Cc1ccc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc1NC(=O)C(C)(C)C ZINC000663066583 954439286 /nfs/dbraw/zinc/43/92/86/954439286.db2.gz KMKVOQJBWRWPBV-AWEZNQCLSA-N -1 0 348.443 3.665 20 0 EHADRM CC(C)[C@@H](CNC(=O)N[C@H]1C[C@@H](C(C)C)c2ccccc21)C(=O)[O-] ZINC001602985061 972014442 /nfs/dbraw/zinc/01/44/42/972014442.db2.gz PVLIEABVJKBNEB-BBWFWOEESA-N -1 0 332.444 3.527 20 0 EHADRM C[C@H]1CCC[C@H]1CNC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666545109 954555352 /nfs/dbraw/zinc/55/53/52/954555352.db2.gz NLCWOAOBTLXINX-HOCLYGCPSA-N -1 0 344.455 3.710 20 0 EHADRM CC(C)[C@@]1(C)C[C@@H]1NC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666552054 954558360 /nfs/dbraw/zinc/55/83/60/954558360.db2.gz ZAFBWJSFOJXATR-FXAWDEMLSA-N -1 0 344.455 3.708 20 0 EHADRM C[C@H](CC(=O)N(CC(=O)[O-])CC1CC1)c1ccc(C(F)(F)F)cc1 ZINC000675975358 954581239 /nfs/dbraw/zinc/58/12/39/954581239.db2.gz YJHJSVMICCRKKU-LLVKDONJSA-N -1 0 343.345 3.522 20 0 EHADRM CC/C(=C\C(=O)NCc1ccccc1C(=O)[O-])c1ccc(OC)cc1 ZINC001589419420 954583485 /nfs/dbraw/zinc/58/34/85/954583485.db2.gz BQPICXKWBVXSSO-WYMLVPIESA-N -1 0 339.391 3.503 20 0 EHADRM CC/C(=C/C(=O)NC[C@H](CC(=O)[O-])CC(C)C)c1ccc(OC)cc1 ZINC001589420500 954598173 /nfs/dbraw/zinc/59/81/73/954598173.db2.gz UNRCZMDZNGIPFL-JORMNFRLSA-N -1 0 347.455 3.742 20 0 EHADRM Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccccc1C(=O)[O-] ZINC000681679262 954598703 /nfs/dbraw/zinc/59/87/03/954598703.db2.gz ILJLXLLJRLJMLG-UHFFFAOYSA-N -1 0 334.375 3.731 20 0 EHADRM CCC(C)(C)C1CCC(CC(=O)Nc2cnn(CC(=O)[O-])c2)CC1 ZINC001589447909 954781434 /nfs/dbraw/zinc/78/14/34/954781434.db2.gz RBQNJSHTWOOTEC-UHFFFAOYSA-N -1 0 335.448 3.539 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)c2ccc(-c3cnco3)cc2)c2ccccc21 ZINC001594927929 954822171 /nfs/dbraw/zinc/82/21/71/954822171.db2.gz VOLNSTCVGUYDAY-INIZCTEOSA-N -1 0 348.358 3.560 20 0 EHADRM O=C([O-])[C@@H]1CCN(C[C@@H]2CCN(c3ccccc3)C2)c2ccccc21 ZINC001594933629 954839628 /nfs/dbraw/zinc/83/96/28/954839628.db2.gz YXUDIDRIXXAHLB-VQIMIIECSA-N -1 0 336.435 3.591 20 0 EHADRM O=C([O-])[C@@H]1CCN(C/C=C/Cl)c2ccc(Br)cc21 ZINC001594933574 954840012 /nfs/dbraw/zinc/84/00/12/954840012.db2.gz UWDJZOIHTZJPAB-XOTMTNNUSA-N -1 0 330.609 3.580 20 0 EHADRM CC(C)[C@H]1c2ccccc2CCN1C(=O)Nc1cccnc1C(=O)[O-] ZINC001603002600 972047031 /nfs/dbraw/zinc/04/70/31/972047031.db2.gz AGKKSHGXKACFTQ-KRWDZBQOSA-N -1 0 339.395 3.567 20 0 EHADRM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001589462312 954862158 /nfs/dbraw/zinc/86/21/58/954862158.db2.gz DMNZBLOVLBUAKE-KBXCAEBGSA-N -1 0 347.455 3.680 20 0 EHADRM CC[C@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC001589463539 954875232 /nfs/dbraw/zinc/87/52/32/954875232.db2.gz BAZHWQSANQHKGF-FZKQIMNGSA-N -1 0 329.371 3.652 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N1CCOc2cc(Cl)c(Cl)cc21 ZINC001589472179 954931537 /nfs/dbraw/zinc/93/15/37/954931537.db2.gz YPOASKNLLADDMH-UHFFFAOYSA-N -1 0 346.210 3.610 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)NC[C@@H](C)Oc1ccc(C(C)C)cc1 ZINC001589474634 954952506 /nfs/dbraw/zinc/95/25/06/954952506.db2.gz XMBBPTMBGCKKFQ-CQSZACIVSA-N -1 0 335.444 3.585 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)NCC(C)(C)c1cccc(Cl)c1 ZINC001589474671 954954103 /nfs/dbraw/zinc/95/41/03/954954103.db2.gz ZCLARNKRAYDKOQ-UHFFFAOYSA-N -1 0 325.836 3.625 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)OCc1cccc(-c2ccccn2)c1 ZINC001589480987 954971426 /nfs/dbraw/zinc/97/14/26/954971426.db2.gz DHIIHGYAZDYHTP-UHFFFAOYSA-N -1 0 327.380 3.683 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N1C[C@H](c2ccccc2)CC1(C)C)C(=O)[O-] ZINC001603008825 972058743 /nfs/dbraw/zinc/05/87/43/972058743.db2.gz JIEGWYRGXPMSNB-DLBZAZTESA-N -1 0 346.471 3.711 20 0 EHADRM CCC(CC)(CNC(=O)NCc1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001589496423 955018171 /nfs/dbraw/zinc/01/81/71/955018171.db2.gz PMBQWKPWWKDPHW-UHFFFAOYSA-N -1 0 346.349 3.553 20 0 EHADRM CCC(CC)(CNC(=O)c1cc2ccccc2nc1Cl)C(=O)[O-] ZINC001589498092 955025874 /nfs/dbraw/zinc/02/58/74/955025874.db2.gz PKFCLHJSCHHTEM-UHFFFAOYSA-N -1 0 334.803 3.509 20 0 EHADRM CC[C@H](CNC(=O)Nc1ccc(C)c(OCCC(C)C)c1)C(=O)[O-] ZINC001589538570 955182688 /nfs/dbraw/zinc/18/26/88/955182688.db2.gz WYKDISUBGCNUHN-CQSZACIVSA-N -1 0 336.432 3.652 20 0 EHADRM CC(C)C[C@]1(C)CCCN1C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001603018415 972077344 /nfs/dbraw/zinc/07/73/44/972077344.db2.gz NYTGZAHJSJZZPG-PMACEKPBSA-N -1 0 346.471 3.639 20 0 EHADRM C/C(=C\C(=O)N([C@@H](C)C(=O)[O-])C1CC1)c1cccc(C(F)(F)F)c1 ZINC000766971563 955315485 /nfs/dbraw/zinc/31/54/85/955315485.db2.gz RGCYAWKZDFUMEK-UQSGXBNBSA-N -1 0 341.329 3.573 20 0 EHADRM O=C([O-])CN(C(=O)/C=C\c1cc(Cl)cc(Cl)c1)C1CCCC1 ZINC000386852341 972085335 /nfs/dbraw/zinc/08/53/35/972085335.db2.gz YFZHHIDBFGVSPV-WAYWQWQTSA-N -1 0 342.222 3.862 20 0 EHADRM Cc1cc(C)c(/C=C\C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1C ZINC000777394630 955338111 /nfs/dbraw/zinc/33/81/11/955338111.db2.gz CIAWVLLZTKAFGY-ZPUOCTKUSA-N -1 0 329.440 3.728 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc2c(c1)-c1ccccc1C2 ZINC000817872273 955375176 /nfs/dbraw/zinc/37/51/76/955375176.db2.gz OIBVKFCCDKGOLW-CXAGYDPISA-N -1 0 335.403 3.583 20 0 EHADRM CC(C)CON(CC1CCCCC1)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC001603030857 972091556 /nfs/dbraw/zinc/09/15/56/972091556.db2.gz TVZSPDSWIVUTSB-MRXNPFEDSA-N -1 0 342.480 3.523 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)CSc1ccc2c(c1)CCC2 ZINC000386962158 972094184 /nfs/dbraw/zinc/09/41/84/972094184.db2.gz VGLYOYJFVMLULA-UHFFFAOYSA-N -1 0 333.434 3.666 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cccc(SC(F)F)c2)C[C@@H]1C(=O)[O-] ZINC000843318982 955627769 /nfs/dbraw/zinc/62/77/69/955627769.db2.gz IVNHPIHPDNMBDD-SKDRFNHKSA-N -1 0 344.383 3.576 20 0 EHADRM O=C([O-])CCCC(=O)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000844245158 955659457 /nfs/dbraw/zinc/65/94/57/955659457.db2.gz BLMVXZCJCTVWIE-KRWDZBQOSA-N -1 0 347.361 3.620 20 0 EHADRM CC(C)Cc1ccc([C@@H](NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])C2CC2)cc1 ZINC001603054008 972118045 /nfs/dbraw/zinc/11/80/45/972118045.db2.gz FTGNCXFIIRMZKL-KZNAEPCWSA-N -1 0 329.440 3.563 20 0 EHADRM C[C@@H](CSc1ccccc1)N(C)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001589077085 955830127 /nfs/dbraw/zinc/83/01/27/955830127.db2.gz PVJAYJPFMUNQJL-STRFDMGBSA-N -1 0 345.420 3.630 20 0 EHADRM C[C@@H](NC(=O)[C@@]1(C(=O)[O-])CC1(C)C)C1(c2ccccc2)CCCC1 ZINC001589089035 955921015 /nfs/dbraw/zinc/92/10/15/955921015.db2.gz AARATYUSQPVRQZ-JLTOFOAXSA-N -1 0 329.440 3.504 20 0 EHADRM Cc1ccccc1[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000864103614 955932969 /nfs/dbraw/zinc/93/29/69/955932969.db2.gz NNFSITADBKWQBT-SOGBHIHOSA-N -1 0 325.364 3.663 20 0 EHADRM CCN(C(=O)/C=C\c1ccc(C(=O)[O-])o1)[C@H](C)c1cccc(OC)c1 ZINC000864104990 955934525 /nfs/dbraw/zinc/93/45/25/955934525.db2.gz YEIOPFLUDUAJJR-PRWOLLLXSA-N -1 0 343.379 3.609 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)/C=C/c2ccc(C(=O)[O-])o2)C1 ZINC000864137954 955960106 /nfs/dbraw/zinc/96/01/06/955960106.db2.gz QRZNDFBWFUCMIB-GGMIUFRYSA-N -1 0 343.354 3.740 20 0 EHADRM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)/C=C/c2ccc(C(=O)[O-])o2)C1 ZINC000864137912 955960777 /nfs/dbraw/zinc/96/07/77/955960777.db2.gz OLMHOISVQARIJQ-RVGAOQPNSA-N -1 0 343.354 3.740 20 0 EHADRM C[C@@H](NC(=O)N1CC(C)(C)[C@H]1c1ccco1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589101517 956001053 /nfs/dbraw/zinc/00/10/53/956001053.db2.gz KSRXZIFPXHMYEO-QVHKTLOISA-N -1 0 348.443 3.508 20 0 EHADRM C[C@@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)c1cccc(C2CC2)c1 ZINC001589117391 956101896 /nfs/dbraw/zinc/10/18/96/956101896.db2.gz AIFATQKQELJXBL-CYBMUJFWSA-N -1 0 339.391 3.518 20 0 EHADRM C[C@@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@H](C(=O)[O-])C1 ZINC000388310529 972164937 /nfs/dbraw/zinc/16/49/37/972164937.db2.gz DURGRMBHIZJIPA-KOLCDFICSA-N -1 0 337.828 3.880 20 0 EHADRM CO[C@@H](CC(C)C)C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001593938160 956243641 /nfs/dbraw/zinc/24/36/41/956243641.db2.gz KHTNUNOFUVIUKY-PWSUYJOCSA-N -1 0 339.457 3.571 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000899311966 956282832 /nfs/dbraw/zinc/28/28/32/956282832.db2.gz UWUSKNGBNKKKIN-BBRMVZONSA-N -1 0 334.416 3.645 20 0 EHADRM C[C@@H](OC(=O)[C@]1(C(=O)[O-])C[C@H]1C)c1ccc(F)c(C(F)(F)F)c1 ZINC001589159178 956393041 /nfs/dbraw/zinc/39/30/41/956393041.db2.gz FPGLFVHUKJMCGE-WFEFGEHDSA-N -1 0 334.265 3.560 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000901660700 956409561 /nfs/dbraw/zinc/40/95/61/956409561.db2.gz JIWNFCQZIHBTLB-IUCAKERBSA-N -1 0 349.736 3.542 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC000901772999 956461014 /nfs/dbraw/zinc/46/10/14/956461014.db2.gz AOXBIHLYVAVVJR-XXILOJSOSA-N -1 0 330.211 3.624 20 0 EHADRM CCCCN(C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1)[C@H](C)c1ccccc1 ZINC000901851748 956501888 /nfs/dbraw/zinc/50/18/88/956501888.db2.gz JLWBJZMOWKGBNM-NJAFHUGGSA-N -1 0 347.455 3.646 20 0 EHADRM CCc1nc(C)c([C@H](C)N(C)C(=O)c2coc(/C=C/C(=O)[O-])c2)s1 ZINC000901922403 956545123 /nfs/dbraw/zinc/54/51/23/956545123.db2.gz MTVWVRAXFWFWIC-MLRMMBSGSA-N -1 0 348.424 3.538 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)C2=C(c3ccccc3)CCCC2)CC1 ZINC001589188988 956584860 /nfs/dbraw/zinc/58/48/60/956584860.db2.gz YDRMFPIDKZMQPL-UHFFFAOYSA-N -1 0 327.424 3.728 20 0 EHADRM C[C@H](NC(=O)c1ccsc1C(F)(F)F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000902029944 956620478 /nfs/dbraw/zinc/62/04/78/956620478.db2.gz MDVSWNJHZWUXLT-UJNFCWOMSA-N -1 0 349.374 3.632 20 0 EHADRM C[C@H](C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1ccc2ccccc2c1 ZINC000902170969 956672975 /nfs/dbraw/zinc/67/29/75/956672975.db2.gz WBOSCOIKCQNYIC-SUNYJGFJSA-N -1 0 325.408 3.513 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCC(c2cccc(Cl)c2)CC1 ZINC001589211392 956691811 /nfs/dbraw/zinc/69/18/11/956691811.db2.gz KGNQYDVLHYIYHR-GOSISDBHSA-N -1 0 335.831 3.547 20 0 EHADRM O=C([O-])c1ccc(Br)c(NC(=O)CCCC2CC2)c1 ZINC001594679645 956692468 /nfs/dbraw/zinc/69/24/68/956692468.db2.gz MVTFUCRWXUECJG-UHFFFAOYSA-N -1 0 326.190 3.666 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)O[C@@H]1CCc2c1cccc2OCC1CC1 ZINC001589217678 956738193 /nfs/dbraw/zinc/73/81/93/956738193.db2.gz KVZJFIBTFYMODD-UZLBHIALSA-N -1 0 344.407 3.507 20 0 EHADRM CC1(C)CC[C@H](C(=O)N2CC[C@H](C(=O)[O-])C2)[C@H](c2ccccc2)C1 ZINC001589220395 956768179 /nfs/dbraw/zinc/76/81/79/956768179.db2.gz SWRQSQWMBJASLS-ULQDDVLXSA-N -1 0 329.440 3.530 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccc([C@@H](F)C(F)(F)F)cc2)C1 ZINC000902702914 956776126 /nfs/dbraw/zinc/77/61/26/956776126.db2.gz VJZHSLKDCSCVMV-HOSYDEDBSA-N -1 0 333.281 3.699 20 0 EHADRM O=C([O-])CC[C@H]1Cc2ccccc2N(C(=O)CC2CCSCC2)C1 ZINC000902820318 956808225 /nfs/dbraw/zinc/80/82/25/956808225.db2.gz AWTDSNWMYNWEMO-HNNXBMFYSA-N -1 0 347.480 3.590 20 0 EHADRM CCO[C@@H](CC(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21)C(C)C ZINC000902827207 956817768 /nfs/dbraw/zinc/81/77/68/956817768.db2.gz XQROIKFKKONQBP-QAPCUYQASA-N -1 0 347.455 3.508 20 0 EHADRM O=C([O-])CCCCCNc1nc(-c2cccnc2)nc2ccccc21 ZINC000005777021 956874043 /nfs/dbraw/zinc/87/40/43/956874043.db2.gz QPMHQFIBXLNORW-UHFFFAOYSA-N -1 0 336.395 3.749 20 0 EHADRM C[C@H](Sc1nc2ccccc2n1CCc1ccccc1)C(=O)[O-] ZINC000007344341 956881980 /nfs/dbraw/zinc/88/19/80/956881980.db2.gz JQTZBAHQHAEFHV-ZDUSSCGKSA-N -1 0 326.421 3.844 20 0 EHADRM COc1cc(Br)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000011957990 956899981 /nfs/dbraw/zinc/89/99/81/956899981.db2.gz OPSLAKAFLSXDIU-UHFFFAOYSA-N -1 0 337.169 3.735 20 0 EHADRM Cc1cccc(-c2nnc(S[C@@H](C(=O)[O-])c3ccccc3)o2)c1 ZINC000012178455 956904295 /nfs/dbraw/zinc/90/42/95/956904295.db2.gz IWWDPPDBKNZACF-CQSZACIVSA-N -1 0 326.377 3.963 20 0 EHADRM Cc1cc(C2=NN(c3cccc(C(=O)[O-])c3)C(=O)CC2)c(C)s1 ZINC000013060441 956920441 /nfs/dbraw/zinc/92/04/41/956920441.db2.gz DBCRTCJRSDYDRX-UHFFFAOYSA-N -1 0 328.393 3.594 20 0 EHADRM O=C([O-])c1ccc(CSCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000013066238 956921804 /nfs/dbraw/zinc/92/18/04/956921804.db2.gz JRJHSBZJHWLWOK-UHFFFAOYSA-N -1 0 335.812 3.910 20 0 EHADRM C[C@@]1(Cc2cccs2)CCCN1C(=O)Cc1ccccc1C(=O)[O-] ZINC001589246477 956927029 /nfs/dbraw/zinc/92/70/29/956927029.db2.gz CEJILFLHXITMEL-IBGZPJMESA-N -1 0 343.448 3.613 20 0 EHADRM C[C@@]1(Cc2ccccc2)SCCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC001589248008 956950161 /nfs/dbraw/zinc/95/01/61/956950161.db2.gz WHIQKVZWXYMGEP-IBGZPJMESA-N -1 0 341.432 3.533 20 0 EHADRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000013176305 956955883 /nfs/dbraw/zinc/95/58/83/956955883.db2.gz ZUYWQWFHTKAQHY-SJORKVTESA-N -1 0 329.371 3.652 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN(C(=O)C2(CC(=O)[O-])CCC2)CC1 ZINC001589253070 956970147 /nfs/dbraw/zinc/97/01/47/956970147.db2.gz FYDAFCKKKWPEKX-LJQANCHMSA-N -1 0 329.440 3.602 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)c1nc(Cl)ccc1Cl ZINC000013187467 956971086 /nfs/dbraw/zinc/97/10/86/956971086.db2.gz CUZYYQCQKWLOLX-UHFFFAOYSA-N -1 0 345.569 3.992 20 0 EHADRM CC(C)C[C@H](NC(=O)Nc1cccc(COC(C)(C)C)c1)C(=O)[O-] ZINC000908637846 956991513 /nfs/dbraw/zinc/99/15/13/956991513.db2.gz DTVPNMOYZFTGRU-HNNXBMFYSA-N -1 0 336.432 3.623 20 0 EHADRM O=C([O-])c1cccc(NC(=O)C[C@H](c2ccc(O)cc2)C2CC2)c1 ZINC000909083722 957003298 /nfs/dbraw/zinc/00/32/98/957003298.db2.gz OHOOXLXTSNNVTB-KRWDZBQOSA-N -1 0 325.364 3.613 20 0 EHADRM CCCCOc1ccc(C(=O)NCC2(C(=O)[O-])CCC2)c(Cl)c1 ZINC000909273812 957008943 /nfs/dbraw/zinc/00/89/43/957008943.db2.gz SWXBWUGEOJWZFH-UHFFFAOYSA-N -1 0 339.819 3.504 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)c2c[nH]cc2-c2ccccc2)c2ccccc21 ZINC001594726779 957013559 /nfs/dbraw/zinc/01/35/59/957013559.db2.gz OEZNOBHSJCQIKI-QFBILLFUSA-N -1 0 346.386 3.725 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2ccc(F)cc2Cl)c2ccccc21 ZINC001594727765 957020730 /nfs/dbraw/zinc/02/07/30/957020730.db2.gz UXMCFEVAKHOLNB-UKRRQHHQSA-N -1 0 333.746 3.522 20 0 EHADRM C[C@H](C(=O)N1CCCC[C@@H]1CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000909496693 957024918 /nfs/dbraw/zinc/02/49/18/957024918.db2.gz IQQKJBWTZQVXLT-SMDDNHRTSA-N -1 0 343.345 3.665 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)Cc1cccc2ccccc21)c1cccs1 ZINC000013388735 957040960 /nfs/dbraw/zinc/04/09/60/957040960.db2.gz HNUHGXNYVICPKC-MRXNPFEDSA-N -1 0 339.416 3.776 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc2ccccc2c1)c1cccs1 ZINC000013388979 957041018 /nfs/dbraw/zinc/04/10/18/957041018.db2.gz MRNQRYOUVZDDAH-HNNXBMFYSA-N -1 0 325.389 3.847 20 0 EHADRM C[C@@H](CCOCc1ccccc1)NC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001603142768 972236511 /nfs/dbraw/zinc/23/65/11/972236511.db2.gz KXEKKKUVYIXMBJ-INIZCTEOSA-N -1 0 347.455 3.523 20 0 EHADRM COc1ccc2c(CC(=O)Nc3ccc(C(=O)[O-])cc3C)coc2c1 ZINC000013390849 957046075 /nfs/dbraw/zinc/04/60/75/957046075.db2.gz JUVJUXNOHVCNAS-UHFFFAOYSA-N -1 0 339.347 3.629 20 0 EHADRM CC1CC(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)(c2cccc(Cl)c2)C1 ZINC001589262889 957053555 /nfs/dbraw/zinc/05/35/55/957053555.db2.gz AUFIMDCCRZOWDS-BIWSTMPVSA-N -1 0 349.858 3.721 20 0 EHADRM CCCc1cc(C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)sc1C ZINC000013434095 957071611 /nfs/dbraw/zinc/07/16/11/957071611.db2.gz DFBHCHYFZGYNKG-HNNXBMFYSA-N -1 0 345.420 3.501 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)CSCc2cccc(Cl)c2)cc1 ZINC000013439340 957077492 /nfs/dbraw/zinc/07/74/92/957077492.db2.gz KUNHHQJTRCGOKV-UHFFFAOYSA-N -1 0 349.839 3.839 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000911545713 957078656 /nfs/dbraw/zinc/07/86/56/957078656.db2.gz RDECCKSMZSTNMA-UHFFFAOYSA-N -1 0 346.402 3.658 20 0 EHADRM Cc1ccc(OCCCC(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC000013441148 957079921 /nfs/dbraw/zinc/07/99/21/957079921.db2.gz BCYUOSRZEUUPRW-UHFFFAOYSA-N -1 0 327.380 3.515 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000911575118 957082414 /nfs/dbraw/zinc/08/24/14/957082414.db2.gz UMORHLSBDOJCON-ROUUACIJSA-N -1 0 347.455 3.526 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)C2(CCc3ccccc3)CC2)C1 ZINC000923069790 957099416 /nfs/dbraw/zinc/09/94/16/957099416.db2.gz MULCDPGMOZSODH-QGZVFWFLSA-N -1 0 329.440 3.503 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2cccc(COC(C)C)c2)C1 ZINC000925981581 957136124 /nfs/dbraw/zinc/13/61/24/957136124.db2.gz CZNITQAUGZRKIX-IBGZPJMESA-N -1 0 348.443 3.720 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000033463644 957185813 /nfs/dbraw/zinc/18/58/13/957185813.db2.gz ALZWKJOSPQKSTA-GUYCJALGSA-N -1 0 327.380 3.708 20 0 EHADRM O=C([O-])c1ccc(-c2nc(Cc3c(F)cccc3Cl)no2)cc1 ZINC000389906393 972254860 /nfs/dbraw/zinc/25/48/60/972254860.db2.gz ALSJBHKMFPPQKN-UHFFFAOYSA-N -1 0 332.718 3.818 20 0 EHADRM CN(Cc1ccc(Cl)s1)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000040224176 957359791 /nfs/dbraw/zinc/35/97/91/957359791.db2.gz GSOKPYJNNAFSJB-UHFFFAOYSA-N -1 0 329.849 3.785 20 0 EHADRM O=C([O-])c1cc(Br)ccc1NC(=O)N1CCCCCC1 ZINC000050208708 957485759 /nfs/dbraw/zinc/48/57/59/957485759.db2.gz MFXGZGQLAKATHW-UHFFFAOYSA-N -1 0 341.205 3.555 20 0 EHADRM O=C([O-])c1cc(Br)ccc1OC(=O)c1ccccc1F ZINC000066145523 957643661 /nfs/dbraw/zinc/64/36/61/957643661.db2.gz VPAIITNKEOUNDK-UHFFFAOYSA-N -1 0 339.116 3.506 20 0 EHADRM Cc1cccc(S(=O)(=O)Cc2c3ccccc3sc2C(=O)[O-])c1 ZINC000390391433 972281264 /nfs/dbraw/zinc/28/12/64/972281264.db2.gz AUNFUCVURAXJJP-UHFFFAOYSA-N -1 0 346.429 3.882 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)NC2(c3cccc(F)c3)CCC2)c1 ZINC001574738251 957675553 /nfs/dbraw/zinc/67/55/53/957675553.db2.gz AXSIQUPTOXJQQU-UHFFFAOYSA-N -1 0 342.370 3.654 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N2CCc3cccc(Cl)c3C2)c1 ZINC001574739125 957684386 /nfs/dbraw/zinc/68/43/86/957684386.db2.gz PVRUBHMPWNFCAY-UHFFFAOYSA-N -1 0 344.798 3.557 20 0 EHADRM O=C([O-])c1cc(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)c[nH]1 ZINC000390507609 972290319 /nfs/dbraw/zinc/29/03/19/972290319.db2.gz SDQIUIVVMMHXPN-UHFFFAOYSA-N -1 0 332.665 3.637 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCSC[C@@H]2c2ccccc2)c1 ZINC001594284311 957763645 /nfs/dbraw/zinc/76/36/45/957763645.db2.gz LZQPTKYSRVPCBO-QGZVFWFLSA-N -1 0 341.432 3.624 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)c2c(Cl)cc(Cl)cc2Cl)C1 ZINC001574783338 957784598 /nfs/dbraw/zinc/78/45/98/957784598.db2.gz CITKBPJCTGAVAO-ZETCQYMHSA-N -1 0 336.602 3.584 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)C1[C@@H]3CCCCCC[C@@H]13)CCOC2 ZINC001574787923 957793325 /nfs/dbraw/zinc/79/33/25/957793325.db2.gz KECBRHQVYVAQDE-GHMZBOCLSA-N -1 0 349.452 3.674 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)N2CCC=C(Cl)C2)c1Cl ZINC001574788421 957795610 /nfs/dbraw/zinc/79/56/10/957795610.db2.gz RNZKSEOEMASURZ-UHFFFAOYSA-N -1 0 333.146 3.538 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)cc1 ZINC001574796969 957825938 /nfs/dbraw/zinc/82/59/38/957825938.db2.gz VLEFFMPKSWUPSG-UHFFFAOYSA-N -1 0 346.333 3.516 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2cc(F)ccc2-c2ccoc2)cc1 ZINC001574800490 957832642 /nfs/dbraw/zinc/83/26/42/957832642.db2.gz NVWPQRPBQIJCQY-UHFFFAOYSA-N -1 0 339.322 3.714 20 0 EHADRM Cc1cc(C)cc(C2=CCN(C(=O)C3(CC(=O)[O-])CCC3)CC2)c1 ZINC001594294835 957867101 /nfs/dbraw/zinc/86/71/01/957867101.db2.gz KLJGQUOTKJNAMU-UHFFFAOYSA-N -1 0 327.424 3.564 20 0 EHADRM C[C@@H]1c2ccccc2CN1C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001340585252 957941703 /nfs/dbraw/zinc/94/17/03/957941703.db2.gz LITRHXGCERLGIY-NXOUGTEYSA-N -1 0 336.391 3.586 20 0 EHADRM Cc1cc(Cl)c(NC(=O)C2(C(=O)[O-])CCC2)cc1Br ZINC001594307010 957977837 /nfs/dbraw/zinc/97/78/37/957977837.db2.gz AROPRXTZYFMOOS-UHFFFAOYSA-N -1 0 346.608 3.604 20 0 EHADRM COc1cc(Cl)cc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC001594058768 958070206 /nfs/dbraw/zinc/07/02/06/958070206.db2.gz GKSFAEGUUVGLEY-OAHLLOKOSA-N -1 0 345.782 3.567 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)Nc1cc(F)cc(Cl)c1)C2 ZINC000391139129 972319689 /nfs/dbraw/zinc/31/96/89/972319689.db2.gz ONXHEAWTTUYXDZ-UHFFFAOYSA-N -1 0 334.734 3.725 20 0 EHADRM Cc1cc(NC(=O)N[C@@H](C)CCCc2cccnc2)ccc1C(=O)[O-] ZINC001594320015 958119284 /nfs/dbraw/zinc/11/92/84/958119284.db2.gz KJDFSWMJCVWUMD-AWEZNQCLSA-N -1 0 341.411 3.621 20 0 EHADRM COc1cc2ccccc2cc1-c1nnc(CSCCC(=O)[O-])o1 ZINC001594070011 958172455 /nfs/dbraw/zinc/17/24/55/958172455.db2.gz VEOCKUIMUMVEEJ-UHFFFAOYSA-N -1 0 344.392 3.606 20 0 EHADRM Cc1cc2cc(NC(=O)N3CCC[C@@H](CCC(=O)[O-])C3)ccc2[nH]1 ZINC001594331105 958220527 /nfs/dbraw/zinc/22/05/27/958220527.db2.gz JOLRWQNGWSIXBN-ZDUSSCGKSA-N -1 0 329.400 3.585 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC000391426293 972335851 /nfs/dbraw/zinc/33/58/51/972335851.db2.gz DTPZZFWXSMRALE-TVQRCGJNSA-N -1 0 335.787 3.720 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC001594350151 958344312 /nfs/dbraw/zinc/34/43/12/958344312.db2.gz TVTNLXJNYMRGPP-RDJZCZTQSA-N -1 0 347.455 3.742 20 0 EHADRM COc1ccc(NC(=O)Nc2cccc(CC(=O)[O-])c2)cc1SC ZINC001594105827 958465247 /nfs/dbraw/zinc/46/52/47/958465247.db2.gz BKPLKYOSDNMDIJ-UHFFFAOYSA-N -1 0 346.408 3.688 20 0 EHADRM Cc1ccc(Cl)c2ccc(NC(=O)C3(C(=O)[O-])CC=CC3)nc12 ZINC001594363167 958472190 /nfs/dbraw/zinc/47/21/90/958472190.db2.gz JWDBDXZRMXEWES-UHFFFAOYSA-N -1 0 330.771 3.556 20 0 EHADRM C[C@H](NC(=O)N[C@H]1CCC[C@H]1C(C)(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603227909 972351355 /nfs/dbraw/zinc/35/13/55/972351355.db2.gz MDFWAXCFOIYONK-ZQNQSHIBSA-N -1 0 338.492 3.636 20 0 EHADRM COc1ccc(OC)c2sc(NCc3cccc(C(=O)[O-])c3)nc21 ZINC001594109515 958501537 /nfs/dbraw/zinc/50/15/37/958501537.db2.gz LNDQCLIRGPBHHH-UHFFFAOYSA-N -1 0 344.392 3.624 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)c(Cl)c1Cl ZINC001594369150 958526960 /nfs/dbraw/zinc/52/69/60/958526960.db2.gz WVHQBUGXYHTYAW-VHSXEESVSA-N -1 0 346.210 3.510 20 0 EHADRM Cc1ccc(NC(=O)CNc2cccc(CCC(=O)[O-])c2)c(Cl)c1 ZINC001594369617 958537248 /nfs/dbraw/zinc/53/72/48/958537248.db2.gz GMEDMJJZTCTBOQ-UHFFFAOYSA-N -1 0 346.814 3.716 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cccc(C2CCC2)c1)c1ccc(F)cc1 ZINC001605728841 972355990 /nfs/dbraw/zinc/35/59/90/972355990.db2.gz CBSAFDSIYTULPN-KRWDZBQOSA-N -1 0 327.355 3.649 20 0 EHADRM COc1ccc2nc(NC(=O)C3(C(=O)[O-])CCCCCC3)sc2c1 ZINC001594117672 958566014 /nfs/dbraw/zinc/56/60/14/958566014.db2.gz QLPGPLKKHQKRFX-UHFFFAOYSA-N -1 0 348.424 3.669 20 0 EHADRM Cc1ccc(Oc2ccccc2CNC(=O)C2(C(=O)[O-])CCC2)cc1 ZINC001594376807 958594605 /nfs/dbraw/zinc/59/46/05/958594605.db2.gz CTFCUWMTFFYEIH-UHFFFAOYSA-N -1 0 339.391 3.658 20 0 EHADRM COc1cccc(C(C)(C)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001594121608 958601903 /nfs/dbraw/zinc/60/19/03/958601903.db2.gz ACHIUBRDASXYCH-UHFFFAOYSA-N -1 0 327.380 3.618 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)Nc1ccc(-c2ccc(Cl)cc2Cl)nc1 ZINC001573372583 958640957 /nfs/dbraw/zinc/64/09/57/958640957.db2.gz XIZXOOICIKDQBI-MRVPVSSYSA-N -1 0 339.178 3.715 20 0 EHADRM Cc1ccc2c(CCC(=O)N3CCC[C@H](CCC(=O)[O-])C3)c[nH]c2c1 ZINC001594382101 958641391 /nfs/dbraw/zinc/64/13/91/958641391.db2.gz SCYLHIUEFWFYKR-OAHLLOKOSA-N -1 0 342.439 3.512 20 0 EHADRM C/C(=C/c1ccccc1)CN(C)C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001588489246 958642878 /nfs/dbraw/zinc/64/28/78/958642878.db2.gz ZEXHLUMGYMGIGM-GWUHCMQSSA-N -1 0 325.364 3.553 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000128669148 958676708 /nfs/dbraw/zinc/67/67/08/958676708.db2.gz BFASJTWIVQJXHA-KRWDZBQOSA-N -1 0 327.380 3.798 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Oc1ccc(C(=O)c2ccccc2)cc1 ZINC001573389778 958688470 /nfs/dbraw/zinc/68/84/70/958688470.db2.gz GGDSTZAHNFXGKA-MRXNPFEDSA-N -1 0 340.375 3.570 20 0 EHADRM O=C([O-])C1(NC(=O)c2scnc2C2CCCC2)CCCCCC1 ZINC001605736143 972376839 /nfs/dbraw/zinc/37/68/39/972376839.db2.gz FWAOUWRVWQBTHJ-UHFFFAOYSA-N -1 0 336.457 3.708 20 0 EHADRM Cc1nc(C(F)(F)F)c(CN[C@H](C(=O)[O-])c2cccc(C)c2)s1 ZINC001594399456 958830615 /nfs/dbraw/zinc/83/06/15/958830615.db2.gz IOQXUUZGMFAYAH-LBPRGKRZSA-N -1 0 344.358 3.694 20 0 EHADRM Cc1cccc(C)c1[C@@H](C)OC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001594400068 958847277 /nfs/dbraw/zinc/84/72/77/958847277.db2.gz YQJXAEBGNIKEPH-CQSZACIVSA-N -1 0 328.364 3.685 20 0 EHADRM Cc1cccc(CO[C@@H](C)C(=O)Nc2c(C)cccc2C(=O)[O-])c1 ZINC001594403620 958872343 /nfs/dbraw/zinc/87/23/43/958872343.db2.gz PJRXCDABEKMRJP-AWEZNQCLSA-N -1 0 327.380 3.545 20 0 EHADRM CC(=O)c1ccc(OCCOc2ccccc2C(=O)[O-])cc1Cl ZINC001588531291 958898923 /nfs/dbraw/zinc/89/89/23/958898923.db2.gz AIMAOZUSTZEYOQ-UHFFFAOYSA-N -1 0 334.755 3.699 20 0 EHADRM Cc1cccc(NC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1F ZINC001594407605 958909423 /nfs/dbraw/zinc/90/94/23/958909423.db2.gz BHUYXNCMMJCLFW-UKRRQHHQSA-N -1 0 328.343 3.569 20 0 EHADRM Cc1cccc(NC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c1F ZINC001594407603 958909613 /nfs/dbraw/zinc/90/96/13/958909613.db2.gz BHUYXNCMMJCLFW-DZGCQCFKSA-N -1 0 328.343 3.569 20 0 EHADRM CC(C)(C)O[C@@H](C(=O)Nc1ccc(O)c(C(=O)[O-])c1)c1ccccc1 ZINC001573458068 958913385 /nfs/dbraw/zinc/91/33/85/958913385.db2.gz RGBUOCKVVYMSIA-MRXNPFEDSA-N -1 0 343.379 3.585 20 0 EHADRM Cc1sc(N(C)Cc2ccccc2Br)nc1C(=O)[O-] ZINC000137255627 958920701 /nfs/dbraw/zinc/92/07/01/958920701.db2.gz YZYXAJNHRXHTBX-UHFFFAOYSA-N -1 0 341.230 3.549 20 0 EHADRM Cc1cccc(Oc2ccc(C(=O)Nc3ncccc3C(=O)[O-])nc2)c1 ZINC001594409456 958935279 /nfs/dbraw/zinc/93/52/79/958935279.db2.gz QOYNJEXNICUNKA-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC001594410989 958950020 /nfs/dbraw/zinc/95/00/20/958950020.db2.gz IMKSMJWSOODAQS-LVQVYYBASA-N -1 0 329.440 3.688 20 0 EHADRM CC(C)(CNC(=O)Nc1ccccc1C(=O)[O-])c1ccc(F)cc1 ZINC001573474758 958956971 /nfs/dbraw/zinc/95/69/71/958956971.db2.gz MFPZSADUTAZTMZ-UHFFFAOYSA-N -1 0 330.359 3.623 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)CNc1cccc(Cl)c1Cl ZINC000141236962 958972266 /nfs/dbraw/zinc/97/22/66/958972266.db2.gz HUIMGVVKOZWHFN-UHFFFAOYSA-N -1 0 339.178 3.742 20 0 EHADRM Cc1ccccc1-c1cnc(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])s1 ZINC001594413978 958982356 /nfs/dbraw/zinc/98/23/56/958982356.db2.gz QAOSQEYJWYNISU-ZDUSSCGKSA-N -1 0 347.440 3.739 20 0 EHADRM CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1C(=O)[O-] ZINC001573484524 958986495 /nfs/dbraw/zinc/98/64/95/958986495.db2.gz KSGSIJAXSOMBIJ-UHFFFAOYSA-N -1 0 347.798 3.512 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)N[C@H](C)CCc1ccccc1 ZINC000391976510 972395591 /nfs/dbraw/zinc/39/55/91/972395591.db2.gz FNXGVRYUUIJMNI-CQSZACIVSA-N -1 0 326.396 3.836 20 0 EHADRM Cc1ccccc1[C@H]1C[C@H](NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1 ZINC001594418744 959040121 /nfs/dbraw/zinc/04/01/21/959040121.db2.gz JCQKXZUZFWCYOO-ULQDDVLXSA-N -1 0 346.471 3.677 20 0 EHADRM CC(C)C[C@@H](CNC(=O)C(C)(C)c1ccc(Cl)cc1F)C(=O)[O-] ZINC001573509406 959081674 /nfs/dbraw/zinc/08/16/74/959081674.db2.gz GVWNLOXIETWKQH-NSHDSACASA-N -1 0 343.826 3.620 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1)C(=O)[O-] ZINC001573509711 959087192 /nfs/dbraw/zinc/08/71/92/959087192.db2.gz QQQYWFVHHGWZFA-KURKYZTESA-N -1 0 331.456 3.509 20 0 EHADRM CSC[C@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001594185394 959120103 /nfs/dbraw/zinc/12/01/03/959120103.db2.gz IDQONMWURKUTGK-BDAKNGLRSA-N -1 0 327.471 3.509 20 0 EHADRM CSc1cc(NC(=O)NCCC(C)(C)C(=O)[O-])ccc1Cl ZINC001594189607 959160681 /nfs/dbraw/zinc/16/06/81/959160681.db2.gz JHUNBUCHXPPIFH-UHFFFAOYSA-N -1 0 330.837 3.684 20 0 EHADRM CC(C)c1ccc(SCC(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])cc1 ZINC001573567008 959291926 /nfs/dbraw/zinc/29/19/26/959291926.db2.gz PIXWDOIZKKUKLH-GUYCJALGSA-N -1 0 335.469 3.614 20 0 EHADRM Cc1nc(-c2ccccc2NC(=O)N([C@@H](C)C(=O)[O-])C2CC2)cs1 ZINC001594445940 959328264 /nfs/dbraw/zinc/32/82/64/959328264.db2.gz KSGDXBFCUNEHPU-JTQLQIEISA-N -1 0 345.424 3.588 20 0 EHADRM Cc1cccc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)c1Cl ZINC000178800726 959433014 /nfs/dbraw/zinc/43/30/14/959433014.db2.gz RTQWNHQWJFAOCC-OAHLLOKOSA-N -1 0 331.799 3.984 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC001573607414 959454688 /nfs/dbraw/zinc/45/46/88/959454688.db2.gz ALKWAVZENSHRJX-CYBMUJFWSA-N -1 0 341.382 3.682 20 0 EHADRM C[C@H](CSC(F)(F)F)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001573607952 959462444 /nfs/dbraw/zinc/46/24/44/959462444.db2.gz KZYYRZMPCFLJMU-SECBINFHSA-N -1 0 335.347 3.531 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)C(C)(C)N1C(=O)c1ccc(C(=O)[O-])nc1 ZINC001594229986 959462619 /nfs/dbraw/zinc/46/26/19/959462619.db2.gz ZVUOLDMHLPNWJY-CZUORRHYSA-N -1 0 338.407 3.577 20 0 EHADRM C[C@H](CC1CCCCC1)NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001594233346 959491174 /nfs/dbraw/zinc/49/11/74/959491174.db2.gz MFUHHGNRRBILKD-KDOFPFPSSA-N -1 0 344.455 3.739 20 0 EHADRM Cc1nc2cccc(Cl)c2cc1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001594464890 959503194 /nfs/dbraw/zinc/50/31/94/959503194.db2.gz YFUKCXLLPVWOKQ-UHFFFAOYSA-N -1 0 341.754 3.542 20 0 EHADRM CC[C@H](NC(=O)CC(C)(C)CC(=O)[O-])c1ccccc1OC(F)F ZINC000190616009 959514152 /nfs/dbraw/zinc/51/41/52/959514152.db2.gz VPTNGTUKOLBRDJ-LBPRGKRZSA-N -1 0 343.370 3.746 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)C2CCC(F)(F)CC2)cc1 ZINC000191081765 959538256 /nfs/dbraw/zinc/53/82/56/959538256.db2.gz KUCFFEWWCUYRAI-UHFFFAOYSA-N -1 0 341.354 3.694 20 0 EHADRM C[C@H](OC(=O)[C@@]1(C(=O)[O-])CC1(C)C)c1cccc(Br)c1 ZINC001594242833 959543628 /nfs/dbraw/zinc/54/36/28/959543628.db2.gz MNIPJOBTGKDOEQ-VFZGTOFNSA-N -1 0 341.201 3.554 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)[C@H]2CSc3ccccc32)cc1)C(=O)[O-] ZINC000191389975 959557078 /nfs/dbraw/zinc/55/70/78/959557078.db2.gz XXQCEHWDQKQMCD-LRDDRELGSA-N -1 0 341.432 3.778 20 0 EHADRM Cc1ncsc1CCC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001594474473 959574416 /nfs/dbraw/zinc/57/44/16/959574416.db2.gz FGVVBJDBCDGNMO-UHFFFAOYSA-N -1 0 342.779 3.514 20 0 EHADRM Cc1cccc(CCC(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000191536389 959579096 /nfs/dbraw/zinc/57/90/96/959579096.db2.gz OFFPECSSWQGWFW-LJQANCHMSA-N -1 0 339.435 3.520 20 0 EHADRM C[C@@](CNC(=O)/C=C/c1ccc(Cl)s1)(C(=O)[O-])c1ccccc1 ZINC000193075262 959612288 /nfs/dbraw/zinc/61/22/88/959612288.db2.gz LBKMWJVNVPAWTP-VMSUTVGLSA-N -1 0 349.839 3.573 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCC(=Cc2ccccc2F)CC1 ZINC001588631280 959616364 /nfs/dbraw/zinc/61/63/64/959616364.db2.gz JFLKQNDSJAVDDM-INIZCTEOSA-N -1 0 333.403 3.578 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)CSCCC(=O)[O-])c1ccc(F)cc1 ZINC001588642178 959698239 /nfs/dbraw/zinc/69/82/39/959698239.db2.gz ADSGYZGVUOZBJA-AWEZNQCLSA-N -1 0 341.448 3.627 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1ccc(Sc2ccncc2)cc1 ZINC001573667906 959711810 /nfs/dbraw/zinc/71/18/10/959711810.db2.gz NGAAETALMDMZSX-GOSISDBHSA-N -1 0 342.420 3.672 20 0 EHADRM CC1(C)CCc2c(sc(NC(=O)Cc3cccnc3)c2C(=O)[O-])C1 ZINC001573674819 959720691 /nfs/dbraw/zinc/72/06/91/959720691.db2.gz FNEKMXGHFRKQLJ-UHFFFAOYSA-N -1 0 344.436 3.537 20 0 EHADRM CC1(C)CCc2c(OC(=O)c3cccc(C(=O)[O-])c3)cccc2O1 ZINC001573675477 959724259 /nfs/dbraw/zinc/72/42/59/959724259.db2.gz LLWWIHPSPNRTDV-UHFFFAOYSA-N -1 0 326.348 3.708 20 0 EHADRM CC1(C)CCc2c(OC(=O)c3ccc(C(=O)[O-])cc3)cccc2O1 ZINC001573675766 959724281 /nfs/dbraw/zinc/72/42/81/959724281.db2.gz OOUGRYBXYIEUHU-UHFFFAOYSA-N -1 0 326.348 3.708 20 0 EHADRM C[C@@]1(CCNC(=O)Nc2cccc(CCC(=O)[O-])c2)C[C@@]1(F)Cl ZINC001573683123 959737422 /nfs/dbraw/zinc/73/74/22/959737422.db2.gz AZIHDRSMQZHDKC-CVEARBPZSA-N -1 0 342.798 3.530 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCC(C)(c2cccc(Cl)c2)CC1 ZINC001573689002 959752999 /nfs/dbraw/zinc/75/29/99/959752999.db2.gz AYRYERLGIZTIEN-IBGZPJMESA-N -1 0 349.858 3.721 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)C1(Cc2ccc(Cl)cc2)CC1 ZINC001588651443 959771592 /nfs/dbraw/zinc/77/15/92/959771592.db2.gz COWDREAEALFMKH-UHFFFAOYSA-N -1 0 337.847 3.622 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(Br)c(C(=O)[O-])c1)c1ccccc1 ZINC000235090733 960385942 /nfs/dbraw/zinc/38/59/42/960385942.db2.gz WSVXQUWGJYPHHM-SNVBAGLBSA-N -1 0 348.196 3.890 20 0 EHADRM C[C@@H]1CCCN(Cc2nc3cc(C(F)(F)F)ccc3o2)[C@@H]1C(=O)[O-] ZINC001573725641 960401323 /nfs/dbraw/zinc/40/13/23/960401323.db2.gz FBOQBUGXDMAHRO-OTYXRUKQSA-N -1 0 342.317 3.532 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(COC(C)(C)C)cc2)CC[C@H]1C(=O)[O-] ZINC001573749091 960530978 /nfs/dbraw/zinc/53/09/78/960530978.db2.gz KUOAKGSLZVSKTC-XJKSGUPXSA-N -1 0 348.443 3.576 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001603284491 972522039 /nfs/dbraw/zinc/52/20/39/972522039.db2.gz YLGXKMORGUDESF-HIFRSBDPSA-N -1 0 337.485 3.704 20 0 EHADRM C[C@H](NC(=O)Nc1cccc(CSCc2ccccc2)c1)C(=O)[O-] ZINC001574288144 960664812 /nfs/dbraw/zinc/66/48/12/960664812.db2.gz FRGYKAMSZNABBD-ZDUSSCGKSA-N -1 0 344.436 3.715 20 0 EHADRM CCCCC[C@H](NC(=O)C[C@H](c1ccccc1)C(F)(F)F)C(=O)[O-] ZINC000236649415 960724078 /nfs/dbraw/zinc/72/40/78/960724078.db2.gz QXRZFAWGLDLUSH-KGLIPLIRSA-N -1 0 345.361 3.872 20 0 EHADRM CCC(CC)(CNC(=O)N[C@@H](c1ccc(F)cc1)C(C)C)C(=O)[O-] ZINC001573784025 960727316 /nfs/dbraw/zinc/72/73/16/960727316.db2.gz ZQIQXRISEWXRIH-OAHLLOKOSA-N -1 0 338.423 3.713 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000236714327 960739833 /nfs/dbraw/zinc/73/98/33/960739833.db2.gz LYOJJLADXWKRDY-ZWKOTPCHSA-N -1 0 331.456 3.605 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)Nc1cncc(C(=O)[O-])c1 ZINC001574306797 960743600 /nfs/dbraw/zinc/74/36/00/960743600.db2.gz PKADGHPBJBMZQV-LLVKDONJSA-N -1 0 339.351 3.717 20 0 EHADRM CCCN(C(=O)c1ccc(C(=O)[O-])cc1)[C@H]1CCc2ccccc2C1 ZINC000236757237 960751526 /nfs/dbraw/zinc/75/15/26/960751526.db2.gz XPYVZQCJZPQBRV-IBGZPJMESA-N -1 0 337.419 3.795 20 0 EHADRM CCC[C@@H](C(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000236841090 960771822 /nfs/dbraw/zinc/77/18/22/960771822.db2.gz HLKXVRADFSTYBD-GOSISDBHSA-N -1 0 325.408 3.627 20 0 EHADRM CCC[C@@H](NC(=O)C[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000236845185 960771892 /nfs/dbraw/zinc/77/18/92/960771892.db2.gz PVYKPSBSQGDBQD-GXFFZTMASA-N -1 0 331.334 3.569 20 0 EHADRM CCC(CC)(CNC(=O)[C@@H](C)CSc1ccc(F)cc1)C(=O)[O-] ZINC000236853489 960773974 /nfs/dbraw/zinc/77/39/74/960773974.db2.gz KEDKFXCORWDGIG-LBPRGKRZSA-N -1 0 341.448 3.561 20 0 EHADRM CCC(CC)(CNC(=O)c1cc(Cl)ccc1OC(C)C)C(=O)[O-] ZINC000236879201 960786291 /nfs/dbraw/zinc/78/62/91/960786291.db2.gz OVMYFVHVQDHXNV-UHFFFAOYSA-N -1 0 341.835 3.748 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000236877058 960786848 /nfs/dbraw/zinc/78/68/48/960786848.db2.gz AQNRARZRQQAFMP-QGZVFWFLSA-N -1 0 327.380 3.798 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(CC(=O)[O-])c2)c2nccc(C)c2c1 ZINC001574315845 960786909 /nfs/dbraw/zinc/78/69/09/960786909.db2.gz DHFOHRCTPGQBOY-UHFFFAOYSA-N -1 0 334.375 3.731 20 0 EHADRM CCC(CC)(CNC(=O)c1cccc2c3c([nH]c21)CCCC3)C(=O)[O-] ZINC000236895284 960790952 /nfs/dbraw/zinc/79/09/52/960790952.db2.gz CSSSQZMTZSLFMY-UHFFFAOYSA-N -1 0 342.439 3.668 20 0 EHADRM CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000236938692 960803807 /nfs/dbraw/zinc/80/38/07/960803807.db2.gz OZUUFLGTOOCNSY-CXAGYDPISA-N -1 0 347.455 3.808 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2cc(-c3ccccc3C)nn2C)c1 ZINC001574318303 960808755 /nfs/dbraw/zinc/80/87/55/960808755.db2.gz WQSLGDBRUQGMTP-UHFFFAOYSA-N -1 0 349.390 3.654 20 0 EHADRM CCC[C@@](C)(NC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1)C(=O)[O-] ZINC000236961963 960814541 /nfs/dbraw/zinc/81/45/41/960814541.db2.gz MEPJEIFELQXYLD-RNODOKPDSA-N -1 0 343.423 3.712 20 0 EHADRM CC[C@H](C)[C@H](C(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000236985066 960822546 /nfs/dbraw/zinc/82/25/46/960822546.db2.gz CESJPKMMVATSBM-LIRRHRJNSA-N -1 0 341.407 3.918 20 0 EHADRM CCC[C@H](NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000236980094 960823008 /nfs/dbraw/zinc/82/30/08/960823008.db2.gz DSDUVBROVOPGFH-GWCFXTLKSA-N -1 0 331.334 3.569 20 0 EHADRM CCC[C@H](NC(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000236992403 960827410 /nfs/dbraw/zinc/82/74/10/960827410.db2.gz WIWPMIMXSXYJCB-STQMWFEESA-N -1 0 331.334 3.569 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cc2c(s1)CCCC2 ZINC000237065582 960862623 /nfs/dbraw/zinc/86/26/23/960862623.db2.gz WNESDULAUXTYOC-UHFFFAOYSA-N -1 0 329.421 3.597 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001573809133 960869504 /nfs/dbraw/zinc/86/95/04/960869504.db2.gz LFQGHHUZQYJLGE-KRWDZBQOSA-N -1 0 341.411 3.573 20 0 EHADRM COc1ccc2c(c1)CCC[C@@H]2CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000237256569 960894275 /nfs/dbraw/zinc/89/42/75/960894275.db2.gz RXRZAZUTRRAMHN-OAHLLOKOSA-N -1 0 339.391 3.842 20 0 EHADRM CSc1cc(C(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])c(Cl)cc1Cl ZINC000237298511 960904199 /nfs/dbraw/zinc/90/41/99/960904199.db2.gz VVGWBVSHQPSCCO-RDDDGLTNSA-N -1 0 348.251 3.698 20 0 EHADRM C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000237346993 960914841 /nfs/dbraw/zinc/91/48/41/960914841.db2.gz FVBHSNVDBZQOQH-LDYMZIIASA-N -1 0 348.251 3.550 20 0 EHADRM Cc1cccc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])c1C ZINC000237407471 960929920 /nfs/dbraw/zinc/92/99/20/960929920.db2.gz LHWORPHVOFLNLV-OAHLLOKOSA-N -1 0 325.408 3.667 20 0 EHADRM Cc1cc(NC(=O)[C@@]2(c3ccccc3)C[C@H](F)C2)ccc1C(=O)[O-] ZINC001574341444 960939935 /nfs/dbraw/zinc/93/99/35/960939935.db2.gz SCSZSBFEOZITLQ-QUWSVYMGSA-N -1 0 327.355 3.702 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)ccc1C(C)C ZINC001574343233 960948444 /nfs/dbraw/zinc/94/84/44/960948444.db2.gz KHBVYTWKLZGVHZ-BZUAXINKSA-N -1 0 347.455 3.597 20 0 EHADRM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCCCCCC(=O)[O-] ZINC000237523741 960952249 /nfs/dbraw/zinc/95/22/49/960952249.db2.gz XQYGRNQDJOKPRB-SNVBAGLBSA-N -1 0 348.226 3.522 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NCCC1CCCCC1)C(=O)[O-] ZINC000237554574 960960265 /nfs/dbraw/zinc/96/02/65/960960265.db2.gz WKOKMFHPPQUMTN-ZDUSSCGKSA-N -1 0 335.469 3.952 20 0 EHADRM Cc1ccc(NC(=O)COc2cccc(Cl)c2C)cc1C(=O)[O-] ZINC000237619113 960976344 /nfs/dbraw/zinc/97/63/44/960976344.db2.gz DXLLKCQSADASDJ-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 ZINC000237632542 960979283 /nfs/dbraw/zinc/97/92/83/960979283.db2.gz FFTJQDVFVGYURG-MXMFLMJRSA-N -1 0 333.384 3.547 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000237669374 960990996 /nfs/dbraw/zinc/99/09/96/960990996.db2.gz UYSDVRHEOSKLJF-DMRZNYOFSA-N -1 0 343.448 3.738 20 0 EHADRM Cc1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1-n1cccc1 ZINC001574351348 960991274 /nfs/dbraw/zinc/99/12/74/960991274.db2.gz PQQNHKKVJVMDJU-QGZVFWFLSA-N -1 0 340.423 3.645 20 0 EHADRM Cc1ccc(NC(=O)c2ccccc2OCC2CC2)cc1C(=O)[O-] ZINC000237714022 961004768 /nfs/dbraw/zinc/00/47/68/961004768.db2.gz PFGOODTUFWOHLS-UHFFFAOYSA-N -1 0 325.364 3.734 20 0 EHADRM Cc1nc(-c2c[nH]c(C(=O)Nc3ccc(C)cc3C(=O)[O-])c2)cs1 ZINC000237717196 961006338 /nfs/dbraw/zinc/00/63/38/961006338.db2.gz XKIHYCUAOSTOSV-UHFFFAOYSA-N -1 0 341.392 3.706 20 0 EHADRM CC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC[C@H]1c1ccccc1 ZINC001573829795 961006234 /nfs/dbraw/zinc/00/62/34/961006234.db2.gz GKJWBJBMKNKKHN-BZZMCLGOSA-N -1 0 329.440 3.530 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2C)c(C)n1CC1CC1 ZINC001324183976 961027090 /nfs/dbraw/zinc/02/70/90/961027090.db2.gz JIOZZPPXNXOZEY-UHFFFAOYSA-N -1 0 326.396 3.774 20 0 EHADRM Cc1ccc(C(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)cc1C ZINC000237847606 961032952 /nfs/dbraw/zinc/03/29/52/961032952.db2.gz MCOFHSZZWFPEDE-UHFFFAOYSA-N -1 0 348.402 3.681 20 0 EHADRM CCC[C@@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001573836572 961059127 /nfs/dbraw/zinc/05/91/27/961059127.db2.gz VGSASMSPUJMXDO-PABFRNLHSA-N -1 0 327.380 3.519 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)o1 ZINC000237972010 961059687 /nfs/dbraw/zinc/05/96/87/961059687.db2.gz LYUJUEFWYQEANI-UHFFFAOYSA-N -1 0 335.359 3.820 20 0 EHADRM O=C([O-])c1n[nH]c2ccc(NC(=O)c3cc4ccccc4s3)cc21 ZINC000237975111 961061292 /nfs/dbraw/zinc/06/12/92/961061292.db2.gz PYFRHCSVOBRVOV-UHFFFAOYSA-N -1 0 337.360 3.728 20 0 EHADRM Cc1ccc(N(CC(C)C)C(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)c(C)c1 ZINC001574369480 961070733 /nfs/dbraw/zinc/07/07/33/961070733.db2.gz XZNJBABOFCLLAZ-IAGOWNOFSA-N -1 0 347.455 3.562 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)c3ccc4c(c3)CCO4)ccc2s1 ZINC000238007654 961072830 /nfs/dbraw/zinc/07/28/30/961072830.db2.gz IBPAFWNCNLCBKF-UHFFFAOYSA-N -1 0 339.372 3.787 20 0 EHADRM CCCCCC[C@H](O)CCC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001573841591 961085534 /nfs/dbraw/zinc/08/55/34/961085534.db2.gz VZCVBTMUFLBRMB-JCGIZDLHSA-N -1 0 347.455 3.527 20 0 EHADRM O=C([O-])[C@H]1CCCN1C(=O)CCCc1ccc2c(c1)-c1ccccc1C2 ZINC000238065663 961091478 /nfs/dbraw/zinc/09/14/78/961091478.db2.gz NKQTYXNQOSEWKO-HXUWFJFHSA-N -1 0 349.430 3.656 20 0 EHADRM Cc1ccc(SC2(CNC(=O)[C@]3(C(=O)[O-])C[C@H]3C)CCCC2)cc1 ZINC001574382201 961112482 /nfs/dbraw/zinc/11/24/82/961112482.db2.gz IOQGHCXCHPYZRQ-KUHUBIRLSA-N -1 0 347.480 3.627 20 0 EHADRM Cc1ccc2c(CC(=O)NCc3ccccc3C(=O)[O-])coc2c1C ZINC001574382406 961115160 /nfs/dbraw/zinc/11/51/60/961115160.db2.gz RKHITTHTKQWIJO-UHFFFAOYSA-N -1 0 337.375 3.607 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1cccc(OC2CCCC2)c1 ZINC000238133298 961120058 /nfs/dbraw/zinc/12/00/58/961120058.db2.gz VVQLMOBCDBTEMI-UHFFFAOYSA-N -1 0 333.428 3.773 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2csc(-c3cccs3)n2)c1 ZINC000238163295 961138930 /nfs/dbraw/zinc/13/89/30/961138930.db2.gz DPXBWXBDGFBZRH-UHFFFAOYSA-N -1 0 348.380 3.961 20 0 EHADRM CC(C)(C)SCCCC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001588738635 961139852 /nfs/dbraw/zinc/13/98/52/961139852.db2.gz OAGNTXMARZIUET-CABCVRRESA-N -1 0 335.469 3.728 20 0 EHADRM Cc1cccc([C@@H](NC(=O)Nc2nsc3ccccc32)C(=O)[O-])c1 ZINC001574392323 961190184 /nfs/dbraw/zinc/19/01/84/961190184.db2.gz RPRDCGRUDMAVIR-CQSZACIVSA-N -1 0 341.392 3.552 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2C[C@H]2c2ccccc2C)cc1 ZINC001328339544 961201349 /nfs/dbraw/zinc/20/13/49/961201349.db2.gz PTTVCBNUAPXLSL-OTWHNJEPSA-N -1 0 337.419 3.739 20 0 EHADRM Cc1cccc([C@@H](NCc2nccc(Cl)c2Cl)C(=O)[O-])c1 ZINC001574395253 961210427 /nfs/dbraw/zinc/21/04/27/961210427.db2.gz XXBBDAYNGVBKFU-CQSZACIVSA-N -1 0 325.195 3.612 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)C(C)(C)Oc2ccccc2)c1 ZINC001329809565 961312196 /nfs/dbraw/zinc/31/21/96/961312196.db2.gz PZSZZORULUOBNF-ZDUSSCGKSA-N -1 0 327.380 3.671 20 0 EHADRM CC(C)(CNC(=O)Nc1cccc(CCC(=O)[O-])c1)CC(F)F ZINC001588783450 961315831 /nfs/dbraw/zinc/31/58/31/961315831.db2.gz VQPYGZJSKOUOSU-UHFFFAOYSA-N -1 0 328.359 3.507 20 0 EHADRM Cc1nc(-c2ccccc2)oc1COC(=O)c1ccc(C(=O)[O-])cc1 ZINC001574418800 961342139 /nfs/dbraw/zinc/34/21/39/961342139.db2.gz XEQZRCJSURTJAW-UHFFFAOYSA-N -1 0 337.331 3.705 20 0 EHADRM CC(C)(CCNC(=O)C(C)(C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001330792313 961356119 /nfs/dbraw/zinc/35/61/19/961356119.db2.gz ZSLHVGTZFQSIPV-UHFFFAOYSA-N -1 0 346.254 3.888 20 0 EHADRM CC(C)OCc1ccc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000261634726 961384621 /nfs/dbraw/zinc/38/46/21/961384621.db2.gz HSZVOTLRNLNNPQ-UHFFFAOYSA-N -1 0 341.407 3.582 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC000261895295 961397011 /nfs/dbraw/zinc/39/70/11/961397011.db2.gz OGDVXKFFELQFIN-ZJUUUORDSA-N -1 0 333.281 3.831 20 0 EHADRM CCOC(=O)CN(Cc1ccc(C(=O)[O-])s1)[C@@H](C)c1ccccc1 ZINC001573896514 961400527 /nfs/dbraw/zinc/40/05/27/961400527.db2.gz OWHMNBBMMMUSFG-ZDUSSCGKSA-N -1 0 347.436 3.573 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)CCSc2ccccc2Cl)C1 ZINC000261968437 961401740 /nfs/dbraw/zinc/40/17/40/961401740.db2.gz PTYIIQOJACUBRW-MRXNPFEDSA-N -1 0 341.860 3.536 20 0 EHADRM Cc1oc(-c2cccs2)nc1CNCc1cccc(C(=O)[O-])c1 ZINC001574443908 961435794 /nfs/dbraw/zinc/43/57/94/961435794.db2.gz KKCTVBBAXBPIGB-UHFFFAOYSA-N -1 0 328.393 3.700 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)Cc1ccccc1C(=O)[O-])C(C)C ZINC000262116352 961474089 /nfs/dbraw/zinc/47/40/89/961474089.db2.gz FXMDIVXBOFTDJB-IBGZPJMESA-N -1 0 325.408 3.749 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000262132830 961487590 /nfs/dbraw/zinc/48/75/90/961487590.db2.gz HRZJKEYNKIYQBM-KRWDZBQOSA-N -1 0 343.810 3.944 20 0 EHADRM Cc1ccc(CCCC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)s1 ZINC000262145278 961497645 /nfs/dbraw/zinc/49/76/45/961497645.db2.gz MKHATOZOSOXDIC-QGZVFWFLSA-N -1 0 343.448 3.590 20 0 EHADRM Cc1cc(O)c(C(C)C)cc1NC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001332165449 961498213 /nfs/dbraw/zinc/49/82/13/961498213.db2.gz LAMGPPDKGOXTRK-UHFFFAOYSA-N -1 0 327.380 3.703 20 0 EHADRM CCON(CC1CCCCC1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001573914069 961500871 /nfs/dbraw/zinc/50/08/71/961500871.db2.gz SXHFZWYFGNQQKP-UHFFFAOYSA-N -1 0 334.416 3.679 20 0 EHADRM CCOc1ccc(C[C@@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC001573919741 961520710 /nfs/dbraw/zinc/52/07/10/961520710.db2.gz IRDWPNDPMISHSK-GFCCVEGCSA-N -1 0 345.370 3.740 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)NCC1(c2ccccc2)CCC1 ZINC000262177535 961526761 /nfs/dbraw/zinc/52/67/61/961526761.db2.gz LYNKUSDPMAGHKP-UHFFFAOYSA-N -1 0 337.419 3.556 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)Cc2ccccc2C(=O)[O-])C1 ZINC000262206127 961552531 /nfs/dbraw/zinc/55/25/31/961552531.db2.gz PDPSPTGVSBGGHH-NVXWUHKLSA-N -1 0 337.419 3.640 20 0 EHADRM CC[C@@H](NC(=O)Nc1cccc(Oc2ccccc2F)c1)C(=O)[O-] ZINC001573931364 961575594 /nfs/dbraw/zinc/57/55/94/961575594.db2.gz UPGPXMARUSXHAA-CQSZACIVSA-N -1 0 332.331 3.603 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000262232073 961576489 /nfs/dbraw/zinc/57/64/89/961576489.db2.gz VKVHNVBWJJZKCU-YZKAXCILSA-N -1 0 327.424 3.582 20 0 EHADRM CCSc1ccc([C@@H](C)NC(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC000262253947 961595311 /nfs/dbraw/zinc/59/53/11/961595311.db2.gz VWKKUQVPNNKXIN-CYBMUJFWSA-N -1 0 343.448 3.917 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1cccnc1-c1ccc(C)s1)C(=O)[O-] ZINC001573937094 961612100 /nfs/dbraw/zinc/61/21/00/961612100.db2.gz WXNKHICXNMPZSM-HZMBPMFUSA-N -1 0 347.440 3.739 20 0 EHADRM CC[C@H](Nc1nc(-c2cccc(OC)c2)nc2ccccc21)C(=O)[O-] ZINC001573949610 961641731 /nfs/dbraw/zinc/64/17/31/961641731.db2.gz NUYLRWCPDPBKNA-HNNXBMFYSA-N -1 0 337.379 3.581 20 0 EHADRM CCc1ccc(C(C)(C)CNC(=O)C2(C(=O)[O-])CCCCC2)cc1 ZINC001573954584 961663810 /nfs/dbraw/zinc/66/38/10/961663810.db2.gz PQCXHZXDZJSJJJ-UHFFFAOYSA-N -1 0 331.456 3.678 20 0 EHADRM Cc1[nH]c2c(cccc2C(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)c1C ZINC000262419912 961709326 /nfs/dbraw/zinc/70/93/26/961709326.db2.gz CMHCDABWDCNRLH-UHFFFAOYSA-N -1 0 340.379 3.657 20 0 EHADRM CCC[C@@H](C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1)c1ccccc1 ZINC000262468521 961738313 /nfs/dbraw/zinc/73/83/13/961738313.db2.gz JGBMDARKTIZWEI-MRXNPFEDSA-N -1 0 329.396 3.829 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CCCOc1ccccc1F ZINC000262503705 961755289 /nfs/dbraw/zinc/75/52/89/961755289.db2.gz KZPCQLKCXUHPAB-UHFFFAOYSA-N -1 0 345.370 3.938 20 0 EHADRM CCOc1ccc(CCC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC000262505449 961755687 /nfs/dbraw/zinc/75/56/87/961755687.db2.gz LHRJGZXXDQUKCY-UHFFFAOYSA-N -1 0 341.407 3.972 20 0 EHADRM CC(C)[C@H](SCc1ccccc1)C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001588836204 961770554 /nfs/dbraw/zinc/77/05/54/961770554.db2.gz SQTLTGGRLCHWMT-INIZCTEOSA-N -1 0 344.436 3.676 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1csc([C@H]2CCCO2)n1 ZINC000262706307 961816989 /nfs/dbraw/zinc/81/69/89/961816989.db2.gz AOYYRPNXNGBVIO-CQSZACIVSA-N -1 0 346.408 3.562 20 0 EHADRM O=C([O-])[C@H](Cc1ccccc1)NCc1ccc(CSC(F)F)o1 ZINC000262708124 961817453 /nfs/dbraw/zinc/81/74/53/961817453.db2.gz OBZXEVBYJVPXKU-AWEZNQCLSA-N -1 0 341.379 3.521 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000262718410 961824568 /nfs/dbraw/zinc/82/45/68/961824568.db2.gz ONJKPYPEWRYRJV-XLAORIBOSA-N -1 0 329.440 3.720 20 0 EHADRM CC[C@@H]1CN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC[C@H]1c1ccccc1 ZINC000262721717 961827689 /nfs/dbraw/zinc/82/76/89/961827689.db2.gz PYNXRTDQMPJBHG-NXWXRZEISA-N -1 0 343.467 3.920 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)NCCCCCCC(=O)[O-] ZINC000262742509 961842386 /nfs/dbraw/zinc/84/23/86/961842386.db2.gz ADBAEMYIYTVWAH-ZDUSSCGKSA-N -1 0 325.836 3.670 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000262788849 961866429 /nfs/dbraw/zinc/86/64/29/961866429.db2.gz MYXSEHKRJDMMQF-IFXJQAMLSA-N -1 0 329.396 3.813 20 0 EHADRM O=C([O-])c1c(-c2ccsc2)csc1NC(=O)COCC1CC1 ZINC001574531596 961902783 /nfs/dbraw/zinc/90/27/83/961902783.db2.gz MWVUPZCDNRKUAB-UHFFFAOYSA-N -1 0 337.422 3.540 20 0 EHADRM CC(C)c1cccc2c1CCN(C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)C2 ZINC000262841712 961908369 /nfs/dbraw/zinc/90/83/69/961908369.db2.gz CZTZGROPZXUEEK-SHTZXODSSA-N -1 0 329.440 3.586 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000262843641 961910443 /nfs/dbraw/zinc/91/04/43/961910443.db2.gz AWWGFJMFORGCBN-UHFFFAOYSA-N -1 0 337.725 3.734 20 0 EHADRM CC(C)C[C@H](CNC(=O)C[C@@H]1CCC[C@H](C(F)(F)F)C1)C(=O)[O-] ZINC001588848545 961912654 /nfs/dbraw/zinc/91/26/54/961912654.db2.gz URGUYDKCFXOBKL-UPJWGTAASA-N -1 0 337.382 3.608 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000262848867 961916706 /nfs/dbraw/zinc/91/67/06/961916706.db2.gz BGKJOQRIBQSHBQ-KGLIPLIRSA-N -1 0 337.847 3.622 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2c(s1)CCCCC2)c1ccc(F)cc1 ZINC001574547184 961951820 /nfs/dbraw/zinc/95/18/20/961951820.db2.gz HIRVZOIHWGZSTR-INIZCTEOSA-N -1 0 347.411 3.712 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)c1ccc(F)cc1 ZINC001574548255 961957567 /nfs/dbraw/zinc/95/75/67/961957567.db2.gz NOMKHJNQZWLUCM-CYBMUJFWSA-N -1 0 342.153 3.688 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC001574555754 961982125 /nfs/dbraw/zinc/98/21/25/961982125.db2.gz HAMDKDLDLATIEV-AYDFFVQHSA-N -1 0 335.831 3.593 20 0 EHADRM Cc1oc(CNC(=O)CSc2ccc(C(C)C)cc2)cc1C(=O)[O-] ZINC000262997187 962089234 /nfs/dbraw/zinc/08/92/34/962089234.db2.gz PIWVWRCVSLDXIJ-UHFFFAOYSA-N -1 0 347.436 3.818 20 0 EHADRM CCC[C@H](CC1CCCC1)C(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000263005667 962101951 /nfs/dbraw/zinc/10/19/51/962101951.db2.gz MSSRRDYAAAMSJG-CJNGLKHVSA-N -1 0 349.393 3.849 20 0 EHADRM CC(C)(C)c1ccc(C2(C(=O)NC3CCC(C(=O)[O-])CC3)CC2)cc1 ZINC001340574713 962108531 /nfs/dbraw/zinc/10/85/31/962108531.db2.gz ZQINDTWKSMMUMA-UHFFFAOYSA-N -1 0 343.467 3.775 20 0 EHADRM Cc1ccc2nc(C3CC3)cc(C(=O)NCCC(C)(C)C(=O)[O-])c2c1 ZINC000263009669 962109258 /nfs/dbraw/zinc/10/92/58/962109258.db2.gz NACHVHJXGQPFQM-UHFFFAOYSA-N -1 0 340.423 3.651 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)C(F)(F)c2ccc(Cl)cc2)c1 ZINC001340677819 962111577 /nfs/dbraw/zinc/11/15/77/962111577.db2.gz UWQQEUFCDMUVOH-UHFFFAOYSA-N -1 0 339.725 3.698 20 0 EHADRM CC(C)C[C@@H](NC(=O)[C@@H](SCc1ccccc1)C(C)C)C(=O)[O-] ZINC001588880860 962144010 /nfs/dbraw/zinc/14/40/10/962144010.db2.gz IEAUTAANKMGFDC-CVEARBPZSA-N -1 0 337.485 3.560 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H](c2ccccc2F)C2CCCC2)C1 ZINC000263045467 962173409 /nfs/dbraw/zinc/17/34/09/962173409.db2.gz DLUYOFCIUYKASR-VBQJREDUSA-N -1 0 333.403 3.674 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2ccc(OCC3CC3)cc2)cc1 ZINC000263047154 962177467 /nfs/dbraw/zinc/17/74/67/962177467.db2.gz DPFCMNFPJQSZFO-CYBMUJFWSA-N -1 0 339.391 3.916 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1)C(=O)[O-] ZINC001588886718 962180677 /nfs/dbraw/zinc/18/06/77/962180677.db2.gz ZHZXITRWPRRQIO-OAHLLOKOSA-N -1 0 334.803 3.564 20 0 EHADRM CC(C)C[C@H](CNC(=O)N[C@@H](C)[C@@H](C)c1ccccc1)CC(=O)[O-] ZINC001588893102 962217789 /nfs/dbraw/zinc/21/77/89/962217789.db2.gz UAGFYJITCQVUQP-PMPSAXMXSA-N -1 0 334.460 3.615 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(C(=O)c2ccsc2)CC1 ZINC000263082402 962227026 /nfs/dbraw/zinc/22/70/26/962227026.db2.gz SCKFFPCXFNDVIG-UHFFFAOYSA-N -1 0 329.421 3.541 20 0 EHADRM O=C([O-])[C@H](C(=O)N1CC2(CCCC2)c2ccccc21)C1CCCC1 ZINC001574617033 962231351 /nfs/dbraw/zinc/23/13/51/962231351.db2.gz YKWSGANIEGHTFW-KRWDZBQOSA-N -1 0 327.424 3.736 20 0 EHADRM CCc1occc1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000263098434 962248073 /nfs/dbraw/zinc/24/80/73/962248073.db2.gz IPZDQGDHYAPEIX-UHFFFAOYSA-N -1 0 333.409 3.802 20 0 EHADRM C[C@H](C(=O)N1CCCC[C@H]1c1ccc(C(=O)[O-])n1C)c1ccsc1 ZINC001345185394 962258494 /nfs/dbraw/zinc/25/84/94/962258494.db2.gz MQXIPOADMSURQJ-WFASDCNBSA-N -1 0 346.452 3.642 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])cc1 ZINC001588906034 962272139 /nfs/dbraw/zinc/27/21/39/962272139.db2.gz GOGVOQPVUFKOBR-MPGHIAIKSA-N -1 0 331.456 3.700 20 0 EHADRM CC(C)Cc1ccc(CC(=O)NC[C@H](CC(=O)[O-])CC(C)C)cc1 ZINC001588906221 962277713 /nfs/dbraw/zinc/27/77/13/962277713.db2.gz RIAYJJRWQHKMJE-SFHVURJKSA-N -1 0 333.472 3.681 20 0 EHADRM CC(C)Cc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC001588906322 962279837 /nfs/dbraw/zinc/27/98/37/962279837.db2.gz YMIOAIIXJGGIDN-SFHVURJKSA-N -1 0 340.423 3.703 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC001588906346 962280711 /nfs/dbraw/zinc/28/07/11/962280711.db2.gz ZYAXQDCLONWMQP-VKJFTORMSA-N -1 0 331.456 3.558 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1F ZINC000263162767 962313115 /nfs/dbraw/zinc/31/31/15/962313115.db2.gz INDCNBGRGULRLP-NEPJUHHUSA-N -1 0 347.308 3.760 20 0 EHADRM CC(C)Cn1ccc2c1cccc2C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC001588911710 962321207 /nfs/dbraw/zinc/32/12/07/962321207.db2.gz PBRTXUKCUCPHMP-CABCVRRESA-N -1 0 342.439 3.623 20 0 EHADRM C[C@H](CC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C)c1ccccc1C(F)(F)F ZINC000263186434 962342243 /nfs/dbraw/zinc/34/22/43/962342243.db2.gz MCXSWYRZEFWUFI-WZRBSPASSA-N -1 0 343.345 3.521 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cccc([C@H]3CCOC3)c2)cc1 ZINC000263197302 962351545 /nfs/dbraw/zinc/35/15/45/962351545.db2.gz JIXOGILWNWLBHO-DYVFJYSZSA-N -1 0 339.391 3.631 20 0 EHADRM C[C@H](CC(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000263202135 962357477 /nfs/dbraw/zinc/35/74/77/962357477.db2.gz NUNRGPQCLYPCOW-UHIISALHSA-N -1 0 343.345 3.521 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)NCc1ccc(C(=O)[O-])s1 ZINC000263203048 962358503 /nfs/dbraw/zinc/35/85/03/962358503.db2.gz MQFADXKNUQPXOU-SNVBAGLBSA-N -1 0 337.828 3.595 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc(N3CCCCC3)c2)CCCCC1 ZINC001574641499 962358820 /nfs/dbraw/zinc/35/88/20/962358820.db2.gz ZITWFIWIHVSOSP-UHFFFAOYSA-N -1 0 330.428 3.651 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)[C@@H](C)c1c(F)cccc1F)c1ccccc1 ZINC000263217063 962371715 /nfs/dbraw/zinc/37/17/15/962371715.db2.gz XUAHVWSIMGILIK-JKDFXYPNSA-N -1 0 347.361 3.647 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000263286594 962425036 /nfs/dbraw/zinc/42/50/36/962425036.db2.gz ZKUJDHDTWJBYMM-SWLSCSKDSA-N -1 0 337.375 3.830 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CC1CC(c2ccccc2)C1 ZINC000263320947 962463903 /nfs/dbraw/zinc/46/39/03/962463903.db2.gz IWJDVMKJTFDHST-UHFFFAOYSA-N -1 0 337.419 3.927 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)C(C)(C)c2cccc(F)c2)c1 ZINC000263323799 962465367 /nfs/dbraw/zinc/46/53/67/962465367.db2.gz ODBOXWHTIIBSBD-GFCCVEGCSA-N -1 0 329.371 3.930 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000263324376 962467658 /nfs/dbraw/zinc/46/76/58/962467658.db2.gz OGSBZWFSRDQBKP-OLZOCXBDSA-N -1 0 329.371 3.831 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N(C)c2ccc(OC(C)C)cc2)c1 ZINC000263329487 962474923 /nfs/dbraw/zinc/47/49/23/962474923.db2.gz POFSJUOUEROIDT-UHFFFAOYSA-N -1 0 327.380 3.757 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)NCCc2cccc3ccccc32)co1 ZINC001574666267 962512316 /nfs/dbraw/zinc/51/23/16/962512316.db2.gz TVNZHVRYCXXZEX-CMDGGOBGSA-N -1 0 335.359 3.503 20 0 EHADRM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2cc(C(=O)[O-])ccn2)cc1 ZINC000263378236 962535065 /nfs/dbraw/zinc/53/50/65/962535065.db2.gz BXNGYELCGXHUAO-KBXCAEBGSA-N -1 0 338.407 3.702 20 0 EHADRM O=C(/C=C/c1nccs1)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001350142248 962535684 /nfs/dbraw/zinc/53/56/84/962535684.db2.gz DCYMAVDDBSEJCZ-ONEGZZNKSA-N -1 0 330.390 3.708 20 0 EHADRM O=C([O-])C1CCC(N[C@@H](CCc2ccccc2)C(F)(F)F)CC1 ZINC000263440366 962618435 /nfs/dbraw/zinc/61/84/35/962618435.db2.gz WERIJEUYGVVQFA-NRXISQOPSA-N -1 0 329.362 3.783 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)Nc1cccnc1C(=O)[O-])CC2 ZINC001588968592 962657222 /nfs/dbraw/zinc/65/72/22/962657222.db2.gz MKISKHSMDRWUGC-OAHLLOKOSA-N -1 0 339.395 3.712 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N3CCC[C@H](C)[C@@H]3C(=O)[O-])[nH]c2c1 ZINC001588969571 962664996 /nfs/dbraw/zinc/66/49/96/962664996.db2.gz JIYQKQQHMGKUDZ-YVEFUNNKSA-N -1 0 328.412 3.617 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)CC(c1ccccc1)c1ccccc1 ZINC000263485843 962671191 /nfs/dbraw/zinc/67/11/91/962671191.db2.gz VOJDHIZAGSLYEF-NRFANRHFSA-N -1 0 337.419 3.674 20 0 EHADRM Cc1cc(F)ccc1NC(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263504077 962687864 /nfs/dbraw/zinc/68/78/64/962687864.db2.gz UXBZYJJCMFZVRT-MRXNPFEDSA-N -1 0 344.386 3.732 20 0 EHADRM CC(C)c1ncsc1NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001588976229 962700336 /nfs/dbraw/zinc/70/03/36/962700336.db2.gz UMUCWJUOHIUIPL-JTQLQIEISA-N -1 0 327.450 3.668 20 0 EHADRM CCC1(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)CCCCC1 ZINC000263527653 962707285 /nfs/dbraw/zinc/70/72/85/962707285.db2.gz KVOSHHCMXDLZDZ-DLBZAZTESA-N -1 0 329.440 3.674 20 0 EHADRM CC(C)C[C@@H](CNC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000263532093 962712796 /nfs/dbraw/zinc/71/27/96/962712796.db2.gz MYTBYOSRGWDPPE-AAEUAGOBSA-N -1 0 349.324 3.579 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccsc2C(F)F)cc1 ZINC001354182830 962729903 /nfs/dbraw/zinc/72/99/03/962729903.db2.gz ULYPJMBNLLVDHV-LBPRGKRZSA-N -1 0 339.363 3.940 20 0 EHADRM C[C@]1(Cc2ccccc2)CCCN1C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000263565268 962733068 /nfs/dbraw/zinc/73/30/68/962733068.db2.gz FKBXSDVVWSHDAV-SQGPQFPESA-N -1 0 329.440 3.501 20 0 EHADRM O=C([O-])COc1cccc(C(=O)Nc2cccc(C3CCC3)c2)c1 ZINC001574737847 962864841 /nfs/dbraw/zinc/86/48/41/962864841.db2.gz ZJTGSZDPNCUEJD-UHFFFAOYSA-N -1 0 325.364 3.670 20 0 EHADRM C/C(=C\c1ccccn1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001573340224 962898744 /nfs/dbraw/zinc/89/87/44/962898744.db2.gz NBAIQDIWFPJLMZ-CMDGGOBGSA-N -1 0 334.734 3.614 20 0 EHADRM CC(C)(C)C[C@H]1CCN(C(=O)Nc2cccc(CCC(=O)[O-])c2)C1 ZINC000307834819 963231686 /nfs/dbraw/zinc/23/16/86/963231686.db2.gz SXRFDNDAHDHYKS-OAHLLOKOSA-N -1 0 332.444 3.994 20 0 EHADRM O=C([O-])CC1(COc2cc(F)c(Br)cc2Cl)CC1 ZINC000310638212 963422932 /nfs/dbraw/zinc/42/29/32/963422932.db2.gz AHGZIXMPQWCZDG-UHFFFAOYSA-N -1 0 337.572 3.875 20 0 EHADRM COc1cccc(Cl)c1CNc1nc(Cl)c(C(=O)[O-])s1 ZINC000312546851 963574268 /nfs/dbraw/zinc/57/42/68/963574268.db2.gz STDPMKUSBJWPEB-UHFFFAOYSA-N -1 0 333.196 3.769 20 0 EHADRM C[C@@H](N[C@@H](C)c1ccccc1OC(F)F)c1ncc(C(=O)[O-])s1 ZINC000314734325 963799612 /nfs/dbraw/zinc/79/96/12/963799612.db2.gz BBYPBUDHHWYWFB-DTWKUNHWSA-N -1 0 342.367 3.855 20 0 EHADRM CSc1ccc(Cl)c(C(=O)NC2(CC(=O)[O-])CCCCC2)c1 ZINC000315391350 963894206 /nfs/dbraw/zinc/89/42/06/963894206.db2.gz NPEGBLXRVGMQQJ-UHFFFAOYSA-N -1 0 341.860 3.969 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc(Cl)nc(Cl)c2)c(F)cc1F ZINC000315728859 963930291 /nfs/dbraw/zinc/93/02/91/963930291.db2.gz JRNNUFOZGUCZFA-UHFFFAOYSA-N -1 0 347.104 3.617 20 0 EHADRM O=C([O-])CC1CCN(C(=O)/C=C\c2c(Cl)cccc2Cl)CC1 ZINC000316506094 964019402 /nfs/dbraw/zinc/01/94/02/964019402.db2.gz MRXSRDRSZJNOLI-PLNGDYQASA-N -1 0 342.222 3.720 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)NCc2ccc(Cl)s2)c1 ZINC000316646549 964036093 /nfs/dbraw/zinc/03/60/93/964036093.db2.gz PSLNJGXFGVWVFH-UHFFFAOYSA-N -1 0 338.816 3.740 20 0 EHADRM O=C([O-])[C@]1(C(F)(F)F)CC[N@@H+]([C@H]2CCc3cc(Cl)ccc32)C1 ZINC000316935657 964075658 /nfs/dbraw/zinc/07/56/58/964075658.db2.gz GFTQKKGSFLYABF-JSGCOSHPSA-N -1 0 333.737 3.666 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000236609964 967778919 /nfs/dbraw/zinc/77/89/19/967778919.db2.gz LDRFCHMOIUOTFZ-WDMOLILDSA-N -1 0 344.238 3.712 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NC1(c2ccc(Cl)cc2)CCCCC1 ZINC000262142830 967810654 /nfs/dbraw/zinc/81/06/54/967810654.db2.gz OTOJXVAFOKCPFX-LSDHHAIUSA-N -1 0 335.831 3.726 20 0 EHADRM Cc1c(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)sc2cccc(F)c12 ZINC000263533650 967899620 /nfs/dbraw/zinc/89/96/20/967899620.db2.gz XYMJHISPZDNTHF-ONGXEEELSA-N -1 0 335.400 3.674 20 0 EHADRM COc1ccc(Cl)cc1NC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000321280899 968013630 /nfs/dbraw/zinc/01/36/30/968013630.db2.gz GAALOSLVEZUIMK-LBPRGKRZSA-N -1 0 340.807 3.600 20 0 EHADRM Cc1cccc(C)c1OCCC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000324547159 968032613 /nfs/dbraw/zinc/03/26/13/968032613.db2.gz TYMPLLCAMHNXMH-UHFFFAOYSA-N -1 0 327.380 3.718 20 0 EHADRM CC(C)C[C@H](CNC(=O)N(C)[C@H](C)c1ccccc1F)CC(=O)[O-] ZINC000325016663 968035381 /nfs/dbraw/zinc/03/53/81/968035381.db2.gz BFQBIKLDKMNQCP-KGLIPLIRSA-N -1 0 338.423 3.665 20 0 EHADRM CC[C@H](NC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)c1cc(C)ccc1C ZINC000529227772 968396502 /nfs/dbraw/zinc/39/65/02/968396502.db2.gz WUPHTDLVPXNJSO-PVAVHDDUSA-N -1 0 332.444 3.507 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)CC1 ZINC000568320590 968438090 /nfs/dbraw/zinc/43/80/90/968438090.db2.gz DONGICWMHLWQRX-FTRWYGJKSA-N -1 0 331.456 3.608 20 0 EHADRM C[C@@H]1CCN(C(=O)N[C@H](c2ccccc2)C(C)(C)C)C[C@H]1C(=O)[O-] ZINC000577726789 968465675 /nfs/dbraw/zinc/46/56/75/968465675.db2.gz GXLGETXSZQTSQN-FVQBIDKESA-N -1 0 332.444 3.526 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cc2F)CC[C@@H]1C(=O)[O-] ZINC000630568199 968539167 /nfs/dbraw/zinc/53/91/67/968539167.db2.gz NXBVFTCVDCBXSW-SFYZADRCSA-N -1 0 349.189 3.707 20 0 EHADRM CC(C)Oc1ccccc1C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653334801 968665572 /nfs/dbraw/zinc/66/55/72/968665572.db2.gz HRESAQIXQUUIKK-IAGOWNOFSA-N -1 0 339.391 3.517 20 0 EHADRM CC(C)[C@@H](CNC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1)C(=O)[O-] ZINC000653539233 968673856 /nfs/dbraw/zinc/67/38/56/968673856.db2.gz XJUNAWBOEHRHHG-GFCCVEGCSA-N -1 0 347.415 3.604 20 0 EHADRM COc1ccc([C@H]2CCCN2C(=O)c2ccc(C(=O)[O-])cc2)cc1F ZINC000659190753 968725726 /nfs/dbraw/zinc/72/57/26/968725726.db2.gz CDPSRTNTPBBKAY-MRXNPFEDSA-N -1 0 343.354 3.510 20 0 EHADRM CSc1cc(N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)nc(SC)n1 ZINC000662884462 968760032 /nfs/dbraw/zinc/76/00/32/968760032.db2.gz UNTDFEHIVQMHSF-RYUDHWBXSA-N -1 0 347.465 3.646 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)[C@@H](C)c1c(Cl)cccc1Cl)C1CC1 ZINC000666364140 968836911 /nfs/dbraw/zinc/83/69/11/968836911.db2.gz ODMABYOQLQHOQL-DTWKUNHWSA-N -1 0 330.211 3.561 20 0 EHADRM C[C@H]1CCN(C(=O)c2sccc2-c2ccc(F)cc2)C[C@H]1C(=O)[O-] ZINC000843334516 969238877 /nfs/dbraw/zinc/23/88/77/969238877.db2.gz AFCCMSUQMACSGX-XHDPSFHLSA-N -1 0 347.411 3.737 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)C1CC1 ZINC000864109898 969315260 /nfs/dbraw/zinc/31/52/60/969315260.db2.gz ZJKMVEWXRRDCCL-SXAWMYDMSA-N -1 0 325.364 3.567 20 0 EHADRM CCCN(CCc1cccs1)C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC000901629062 969453678 /nfs/dbraw/zinc/45/36/78/969453678.db2.gz UXCOZHRXJAHZIV-AATRIKPKSA-N -1 0 333.409 3.534 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1 ZINC000902701906 969557787 /nfs/dbraw/zinc/55/77/87/969557787.db2.gz OBXRKQCZNROVHD-IINYFYTJSA-N -1 0 333.281 3.699 20 0 EHADRM O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1cc(O)cc(C(F)(F)F)c1 ZINC000903697175 969590693 /nfs/dbraw/zinc/59/06/93/969590693.db2.gz DXTFWIXNEFSBEU-ZDUSSCGKSA-N -1 0 331.334 3.630 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cccc(-c3ccoc3)c2)C1 ZINC001342629600 969755752 /nfs/dbraw/zinc/75/57/52/969755752.db2.gz XNKNHQYIVCDFJU-LJQANCHMSA-N -1 0 327.380 3.664 20 0 EHADRM Cc1cccc([C@H](NC(=O)CCSc2ccccc2F)C(=O)[O-])c1 ZINC001594393318 970218505 /nfs/dbraw/zinc/21/85/05/970218505.db2.gz RTKKYAUCPYTCCF-KRWDZBQOSA-N -1 0 347.411 3.558 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)OCCC(F)(F)F)CC1 ZINC001595250448 970336519 /nfs/dbraw/zinc/33/65/19/970336519.db2.gz MAZOIWSPPYDIQJ-UHFFFAOYSA-N -1 0 345.317 3.653 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C1 ZINC000317752289 970384837 /nfs/dbraw/zinc/38/48/37/970384837.db2.gz AEZZYAMMEQYCGI-AWEZNQCLSA-N -1 0 349.189 3.851 20 0 EHADRM CC(=O)Nc1ccc(SCCOc2cccc(C(=O)[O-])c2)cc1 ZINC000319540189 970546615 /nfs/dbraw/zinc/54/66/15/970546615.db2.gz BYUVRTLGKIKMMS-UHFFFAOYSA-N -1 0 331.393 3.514 20 0 EHADRM CCC1CCC(NC(=O)c2cc(Cl)ccc2OC)(C(=O)[O-])CC1 ZINC000319895009 970587244 /nfs/dbraw/zinc/58/72/44/970587244.db2.gz XPLXKCJXNWXFKQ-UHFFFAOYSA-N -1 0 339.819 3.502 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)CSCc1ccc(F)cc1 ZINC000320406753 970659764 /nfs/dbraw/zinc/65/97/64/970659764.db2.gz AKFLOBSCGZQCKM-UHFFFAOYSA-N -1 0 337.347 3.535 20 0 EHADRM O=C([O-])c1ccccc1OCCSc1nnc(-c2cccs2)o1 ZINC000320793298 970715984 /nfs/dbraw/zinc/71/59/84/970715984.db2.gz JKCKZDUHNPLCOW-UHFFFAOYSA-N -1 0 348.405 3.667 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)Cc2ccc(C)c(OC)c2)s1 ZINC000320885638 970726625 /nfs/dbraw/zinc/72/66/25/970726625.db2.gz UDIPXYIFLXARLK-UHFFFAOYSA-N -1 0 333.409 3.507 20 0 EHADRM C[C@H]1c2ccsc2CCN1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000321100652 970743440 /nfs/dbraw/zinc/74/34/40/970743440.db2.gz IAYQZAKDPKOTDT-VIFPVBQESA-N -1 0 334.372 3.737 20 0 EHADRM Cc1ccc2oc(C(=O)N3CCc4c(cccc4C(=O)[O-])C3)cc2c1 ZINC000392872940 972537002 /nfs/dbraw/zinc/53/70/02/972537002.db2.gz OYMBTZCNZKGNPV-UHFFFAOYSA-N -1 0 335.359 3.638 20 0 EHADRM CSCc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001604958475 972538866 /nfs/dbraw/zinc/53/88/66/972538866.db2.gz QLSHIHMWDHQALY-HNNXBMFYSA-N -1 0 348.399 3.636 20 0 EHADRM CSc1ccc([C@@H](C)NC(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC001604971735 972564012 /nfs/dbraw/zinc/56/40/12/972564012.db2.gz MASUXRDNAVJWGO-GFCCVEGCSA-N -1 0 344.436 3.667 20 0 EHADRM C[C@@H](CC1CCCCC1)NC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001604979048 972569828 /nfs/dbraw/zinc/56/98/28/972569828.db2.gz MFUHHGNRRBILKD-KBXCAEBGSA-N -1 0 344.455 3.739 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CCC(c2ccccc2)CC1 ZINC001603310651 972602654 /nfs/dbraw/zinc/60/26/54/972602654.db2.gz QQFIQTOTQBGSLP-UHFFFAOYSA-N -1 0 329.440 3.530 20 0 EHADRM CC1(C)C[C@H](c2ccccc2)CN1C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001603322021 972646947 /nfs/dbraw/zinc/64/69/47/972646947.db2.gz FGDDVBCDIILORD-AWEZNQCLSA-N -1 0 339.395 3.580 20 0 EHADRM C[C@H](NC(=O)[C@]1(C(=O)[O-])CC=CCC1)c1ccc2c(c1)CCCC2 ZINC001605041019 972650677 /nfs/dbraw/zinc/65/06/77/972650677.db2.gz IKWHNSOSVVPAIT-XOBRGWDASA-N -1 0 327.424 3.554 20 0 EHADRM C[C@H](NC(=O)Nc1cncc(C(=O)[O-])c1)c1ccc2c(c1)CCCC2 ZINC001605042509 972658597 /nfs/dbraw/zinc/65/85/97/972658597.db2.gz YJZBELAWJWXDCY-LBPRGKRZSA-N -1 0 339.395 3.541 20 0 EHADRM C[C@]1(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)C[C@@H]1c1ccccc1 ZINC001605062752 972674375 /nfs/dbraw/zinc/67/43/75/972674375.db2.gz FWTJWAZGWYQATB-OOSNJVJTSA-N -1 0 335.403 3.610 20 0 EHADRM C[C@]1(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)C[C@@H]1c1ccccc1 ZINC001605062750 972674923 /nfs/dbraw/zinc/67/49/23/972674923.db2.gz FWTJWAZGWYQATB-IKVWTGGYSA-N -1 0 335.403 3.610 20 0 EHADRM C[C@]1(c2ccccc2)C[C@H]1C(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC001605063208 972678203 /nfs/dbraw/zinc/67/82/03/972678203.db2.gz OYICMDSCJXJHGE-LAUBAEHRSA-N -1 0 335.403 3.642 20 0 EHADRM Cc1cc(C(=O)[C@H](C)SCCC(=O)[O-])c(C)n1Cc1ccco1 ZINC001605101850 972754051 /nfs/dbraw/zinc/75/40/51/972754051.db2.gz HIBSKTNILIPUDP-ZDUSSCGKSA-N -1 0 335.425 3.525 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@H](C)COc2c(C)cccc2C)c1 ZINC001605132411 972797439 /nfs/dbraw/zinc/79/74/39/972797439.db2.gz LIJLFLHDTJNXQW-OAHLLOKOSA-N -1 0 341.407 3.507 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@H]2CCCc3c(F)cccc32)c1 ZINC001605138944 972806031 /nfs/dbraw/zinc/80/60/31/972806031.db2.gz ZHVCLIMYSCRHCI-KRWDZBQOSA-N -1 0 327.355 3.640 20 0 EHADRM Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)N(C)C[C@H](C)C(=O)[O-] ZINC001605141484 972821383 /nfs/dbraw/zinc/82/13/83/972821383.db2.gz ZJELMVBOMDRUPN-HNNXBMFYSA-N -1 0 348.487 3.506 20 0 EHADRM CCc1nc(CN(C)C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cs1 ZINC000396352471 972862138 /nfs/dbraw/zinc/86/21/38/972862138.db2.gz CYTRFZCSILKTLD-LLVKDONJSA-N -1 0 347.440 3.558 20 0 EHADRM Cc1csc([C@@H](C)NC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)n1 ZINC000396422076 972879480 /nfs/dbraw/zinc/87/94/80/972879480.db2.gz DZEYXRNMXSSGDY-WDEREUQCSA-N -1 0 333.413 3.522 20 0 EHADRM CCOc1cccc(NC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c1 ZINC000396432338 972883417 /nfs/dbraw/zinc/88/34/17/972883417.db2.gz JCDFNDSBTDPZAN-GFCCVEGCSA-N -1 0 328.368 3.917 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2cnc(Cl)c(C(F)(F)F)c2)CC=CCC1 ZINC001605942131 972888888 /nfs/dbraw/zinc/88/88/88/972888888.db2.gz LRXQFQKYTPXTHW-CYBMUJFWSA-N -1 0 348.708 3.503 20 0 EHADRM Cc1cc(F)ccc1[C@H]1CCCN1C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001605180292 972898787 /nfs/dbraw/zinc/89/87/87/972898787.db2.gz ZDBFEDPLLYIZTN-MRXNPFEDSA-N -1 0 343.358 3.596 20 0 EHADRM Cc1cccc(C)c1OCCC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000396600505 972920562 /nfs/dbraw/zinc/92/05/62/972920562.db2.gz DBIDEOFBLRZLRJ-OAHLLOKOSA-N -1 0 341.407 3.899 20 0 EHADRM C[C@H]1C[C@H](CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)C[C@@H](C)C1 ZINC001603375742 972927294 /nfs/dbraw/zinc/92/72/94/972927294.db2.gz DWHZCFURBXFHJU-ZCHQSPEWSA-N -1 0 344.455 3.671 20 0 EHADRM Cc1ccccc1SCC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000396657867 972931892 /nfs/dbraw/zinc/93/18/92/972931892.db2.gz XDOZQEXWJNCAQQ-CYBMUJFWSA-N -1 0 329.421 3.914 20 0 EHADRM Cc1cc(NC(=O)NC2(Cc3ccc(F)cc3)CC2)ccc1C(=O)[O-] ZINC001605202724 972945664 /nfs/dbraw/zinc/94/56/64/972945664.db2.gz UOUSAIOSWOQFQJ-UHFFFAOYSA-N -1 0 342.370 3.729 20 0 EHADRM Cc1cc(NC(=O)Nc2ccnn2[C@H](C)C2CC2)ccc1C(=O)[O-] ZINC001605207303 972949695 /nfs/dbraw/zinc/94/96/95/972949695.db2.gz NFMSTIHVJKAQQW-LLVKDONJSA-N -1 0 328.372 3.505 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001603380877 972954232 /nfs/dbraw/zinc/95/42/32/972954232.db2.gz RKLFOXBMFVBKDM-XNJGSVPQSA-N -1 0 339.395 3.578 20 0 EHADRM Cc1cc(Nc2cccc(CCC(=O)[O-])c2)nc(-c2cccnc2)n1 ZINC001605213424 972955975 /nfs/dbraw/zinc/95/59/75/972955975.db2.gz INNQDFUGDQYUFH-UHFFFAOYSA-N -1 0 334.379 3.608 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)N2CCC3(C2)CCCCC3)c2ccccc21 ZINC001605976612 973000643 /nfs/dbraw/zinc/00/06/43/973000643.db2.gz DYDYDYBNAIQIFF-IAGOWNOFSA-N -1 0 342.439 3.665 20 0 EHADRM Cc1ccc(CCCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)c(C)c1 ZINC001605271041 973054609 /nfs/dbraw/zinc/05/46/09/973054609.db2.gz ZTSSCAIVIMEVCB-KRWDZBQOSA-N -1 0 348.487 3.672 20 0 EHADRM Cc1cccc([C@H](NC(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)C(=O)[O-])c1 ZINC001605326876 973163789 /nfs/dbraw/zinc/16/37/89/973163789.db2.gz ASVNMEVBOXFYNG-BZSNNMDCSA-N -1 0 341.382 3.570 20 0 EHADRM Cc1cccc(C2(C(=O)N3CCCc4cc(C(=O)[O-])ccc43)CC2)c1 ZINC001605335989 973223088 /nfs/dbraw/zinc/22/30/88/973223088.db2.gz WWAKMMNNLHGUFA-UHFFFAOYSA-N -1 0 335.403 3.704 20 0 EHADRM CC(C)=CCC[C@H](C)CC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000400803090 973316784 /nfs/dbraw/zinc/31/67/84/973316784.db2.gz ZXECKQNWMVRFRA-YJBOKZPZSA-N -1 0 329.440 3.970 20 0 EHADRM Cc1coc(-c2ccc(C)c(NC(=O)C3(CC(=O)[O-])CCC3)c2)n1 ZINC001605382184 973350675 /nfs/dbraw/zinc/35/06/75/973350675.db2.gz YLWCMVLRVUFXCQ-UHFFFAOYSA-N -1 0 328.368 3.542 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Nc1ccc(-c2ccon2)cc1 ZINC001606118092 973355666 /nfs/dbraw/zinc/35/56/66/973355666.db2.gz GJFDMXOHHKDCJI-OAHLLOKOSA-N -1 0 343.383 3.593 20 0 EHADRM C[C@@H]1Cc2c(sc(NC(=O)C3(F)CCCC3)c2C(=O)[O-])[C@@H](C)O1 ZINC001603474634 973358473 /nfs/dbraw/zinc/35/84/73/973358473.db2.gz DDGIRRDMGCOWGH-RKDXNWHRSA-N -1 0 341.404 3.689 20 0 EHADRM Cc1c(C(=O)N[C@H](CC(C)(C)C)C(=O)[O-])sc2cccc(F)c12 ZINC000401388342 973360485 /nfs/dbraw/zinc/36/04/85/973360485.db2.gz RDIBILGGKYXDPQ-LLVKDONJSA-N -1 0 337.416 3.968 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccc(-c3cccs3)o2)C1 ZINC001606128652 973374691 /nfs/dbraw/zinc/37/46/91/973374691.db2.gz RWVISEOAGWRADF-LBPRGKRZSA-N -1 0 333.409 3.725 20 0 EHADRM CC[C@@H](C(=O)N1CCCC[C@@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001603487940 973415028 /nfs/dbraw/zinc/41/50/28/973415028.db2.gz FHSXWYWGXGXZHA-ZIAGYGMSSA-N -1 0 343.345 3.665 20 0 EHADRM Cc1ncc(-c2ccccc2)cc1NC(=O)N([C@H](C)C(=O)[O-])C1CC1 ZINC001605419912 973434774 /nfs/dbraw/zinc/43/47/74/973434774.db2.gz FSQBFQRYKSDXMZ-CYBMUJFWSA-N -1 0 339.395 3.526 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)C(=O)c1ccccc1Nc1ccc(C)cc1 ZINC001603496397 973447491 /nfs/dbraw/zinc/44/74/91/973447491.db2.gz GFTSPQOXUPPQRO-QGZVFWFLSA-N -1 0 326.396 3.674 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC001603500378 973466410 /nfs/dbraw/zinc/46/64/10/973466410.db2.gz IHQJTYQYHPCPKF-CYBMUJFWSA-N -1 0 342.317 3.655 20 0 EHADRM CCC(CC)(CNC(=O)NC1(Cc2ccccc2)CCCC1)C(=O)[O-] ZINC001603535177 973587014 /nfs/dbraw/zinc/58/70/14/973587014.db2.gz GNNBHZVFVJCNER-UHFFFAOYSA-N -1 0 346.471 3.732 20 0 EHADRM CCC(CC)(CNC(=O)NCCC(C)(C)C(=O)[O-])c1ccccc1 ZINC001603535447 973588781 /nfs/dbraw/zinc/58/87/81/973588781.db2.gz NXHHHZBNOYJDAR-UHFFFAOYSA-N -1 0 334.460 3.545 20 0 EHADRM Cc1ccc(NC(=O)N2CCc3ccccc3[C@H](C)C2)cc1C(=O)[O-] ZINC000404797874 973750507 /nfs/dbraw/zinc/75/05/07/973750507.db2.gz UENBKCRJTHNZMR-CQSZACIVSA-N -1 0 338.407 3.887 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)c1cscc1Br ZINC000404926367 973755767 /nfs/dbraw/zinc/75/57/67/973755767.db2.gz HVTSRSAYROCFHA-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)Nc1cc(Cl)ccc1Cl)CC1CC1 ZINC000405335433 973833757 /nfs/dbraw/zinc/83/37/57/973833757.db2.gz YYSXSALGKFGIAK-SECBINFHSA-N -1 0 331.199 3.616 20 0 EHADRM O=C([O-])c1c(-c2ccsc2)csc1NC(=O)[C@H]1CCCOC1 ZINC001606459100 973906603 /nfs/dbraw/zinc/90/66/03/973906603.db2.gz VTOMDANUYBJNBG-VIFPVBQESA-N -1 0 337.422 3.540 20 0 EHADRM CC[C@@H]1CCCC[C@H]1CNC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001603619806 973917044 /nfs/dbraw/zinc/91/70/44/973917044.db2.gz LLJNQFNUSCDSHI-GQIGUUNPSA-N -1 0 346.471 3.545 20 0 EHADRM CO[C@H](C)c1nc(C)c(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)s1 ZINC000414462116 973940791 /nfs/dbraw/zinc/94/07/91/973940791.db2.gz ZFEXGPDBFVAUOB-GXSJLCMTSA-N -1 0 348.424 3.599 20 0 EHADRM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCCCCC(=O)[O-] ZINC000414623585 973942194 /nfs/dbraw/zinc/94/21/94/973942194.db2.gz HPIFVYOGBZYONQ-QZTJIDSGSA-N -1 0 346.471 3.999 20 0 EHADRM CCC[C@@H](OC)C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](CC)C2 ZINC001603634064 973967319 /nfs/dbraw/zinc/96/73/19/973967319.db2.gz VWGTVFHKJXBVTN-ZYHUDNBSSA-N -1 0 339.457 3.715 20 0 EHADRM CC(C)Oc1ccc(NC(=O)NCCCCCC(=O)[O-])c(Cl)c1 ZINC000417776056 973969284 /nfs/dbraw/zinc/96/92/84/973969284.db2.gz QOJYTGFFYWKZOU-UHFFFAOYSA-N -1 0 342.823 3.894 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)cc1 ZINC001606495388 973979768 /nfs/dbraw/zinc/97/97/68/973979768.db2.gz WQYGIERTOOCPAK-LSDHHAIUSA-N -1 0 332.302 3.510 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)c1ccc2ccncc2c1 ZINC001606504142 973995368 /nfs/dbraw/zinc/99/53/68/973995368.db2.gz GBVQTJXVJUCNPB-UHFFFAOYSA-N -1 0 332.359 3.526 20 0 EHADRM CCc1onc(-c2ccccc2)c1C(=O)NCC(CC)(CC)C(=O)[O-] ZINC000424252551 974021410 /nfs/dbraw/zinc/02/14/10/974021410.db2.gz RIKBOJNCDFPNLH-UHFFFAOYSA-N -1 0 344.411 3.525 20 0 EHADRM Cc1ccc(Cl)c(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])c1C ZINC000424387130 974024763 /nfs/dbraw/zinc/02/47/63/974024763.db2.gz IRRYQFCCNQZHJB-LBPRGKRZSA-N -1 0 326.824 3.825 20 0 EHADRM CC(C)(CCNC(=O)N1CCC(=Cc2cccc(F)c2)CC1)C(=O)[O-] ZINC000424399979 974028015 /nfs/dbraw/zinc/02/80/15/974028015.db2.gz SDZOLMLHPKCVQS-UHFFFAOYSA-N -1 0 348.418 3.515 20 0 EHADRM CC(C)(CCNC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1)C(=O)[O-] ZINC000424397822 974028242 /nfs/dbraw/zinc/02/82/42/974028242.db2.gz LNOGYHNEHNNLMZ-CQSZACIVSA-N -1 0 338.835 3.687 20 0 EHADRM CN(CCc1cccc2ccccc21)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424398871 974028806 /nfs/dbraw/zinc/02/88/06/974028806.db2.gz PFJOGRHUIAVFKR-UHFFFAOYSA-N -1 0 342.439 3.525 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1CCC[C@H](F)C1)c1ccc(Cl)cc1 ZINC000425238795 974039083 /nfs/dbraw/zinc/03/90/83/974039083.db2.gz JSTWLCLLQVIXSE-UBHSHLNASA-N -1 0 327.783 3.500 20 0 EHADRM O=C([O-])[C@H](NCc1csc(-c2ccsc2)n1)c1ccccc1F ZINC000426776594 974046992 /nfs/dbraw/zinc/04/69/92/974046992.db2.gz ZCAINAWYUVZYDA-CQSZACIVSA-N -1 0 348.424 3.926 20 0 EHADRM COCc1cc(NC(=O)c2csc3ccccc23)cc(C(=O)[O-])c1 ZINC000427667966 974054133 /nfs/dbraw/zinc/05/41/33/974054133.db2.gz IGWDMEKDINXLNS-UHFFFAOYSA-N -1 0 341.388 3.998 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)NCc2ccc(Cl)c(Cl)c2)o1 ZINC001605659883 974055477 /nfs/dbraw/zinc/05/54/77/974055477.db2.gz OODOAFWLECKBNM-UTCJRWHESA-N -1 0 340.162 3.614 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)Nc2ccc(C(F)(F)F)cc2)o1 ZINC001605667600 974066865 /nfs/dbraw/zinc/06/68/65/974066865.db2.gz FYBFBCYQCDWPKS-SOFGYWHQSA-N -1 0 325.242 3.649 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)Nc2ccc(OC3CCC3)c(F)c2)o1 ZINC001605668101 974070046 /nfs/dbraw/zinc/07/00/46/974070046.db2.gz OKJWWEQVQAQDKC-RMKNXTFCSA-N -1 0 345.326 3.700 20 0 EHADRM Cc1cc(Cl)c(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1C ZINC000431655968 974071128 /nfs/dbraw/zinc/07/11/28/974071128.db2.gz SBVSUMZDSPERJC-UHFFFAOYSA-N -1 0 331.799 3.927 20 0 EHADRM COc1ccc([C@@H](C)OC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1C ZINC001604829136 974072361 /nfs/dbraw/zinc/07/23/61/974072361.db2.gz ORVDIYQSBZGAPP-OJIASSBASA-N -1 0 330.336 3.612 20 0 EHADRM Cc1cc(CCCC(=O)NCC2(C(=O)[O-])CCCCC2)c(C)s1 ZINC000431880187 974077520 /nfs/dbraw/zinc/07/75/20/974077520.db2.gz FXHPENHSUFNQSN-UHFFFAOYSA-N -1 0 337.485 3.839 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000431874733 974077759 /nfs/dbraw/zinc/07/77/59/974077759.db2.gz FVCHPCDYLWYWBK-OAGGEKHMSA-N -1 0 339.476 3.512 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2cncc3ccccc32)cc1)C(=O)[O-] ZINC000431986923 974081034 /nfs/dbraw/zinc/08/10/34/974081034.db2.gz OJPBCWPIQQRVJZ-ZDUSSCGKSA-N -1 0 334.375 3.750 20 0 EHADRM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000432093189 974085321 /nfs/dbraw/zinc/08/53/21/974085321.db2.gz CFGLWYBCBPRQDX-JLTOFOAXSA-N -1 0 337.419 3.757 20 0 EHADRM Cc1cc(Cl)cc(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000432104743 974086963 /nfs/dbraw/zinc/08/69/63/974086963.db2.gz AKIRFWQTUSKCNJ-QGZVFWFLSA-N -1 0 345.826 3.854 20 0 EHADRM C[C@H]1CCN(C(=O)Cc2ccccc2C(=O)[O-])CC12CCCCC2 ZINC000432112151 974088115 /nfs/dbraw/zinc/08/81/15/974088115.db2.gz MLKFARJMCUAWFP-HNNXBMFYSA-N -1 0 329.440 3.746 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N[C@@H](CC1CCC1)c1ccccc1 ZINC000432119053 974088736 /nfs/dbraw/zinc/08/87/36/974088736.db2.gz AENWNDBCHSSRGO-IBGZPJMESA-N -1 0 337.419 3.975 20 0 EHADRM Cc1ccc(C)c(SCC(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])c1 ZINC000432122725 974090517 /nfs/dbraw/zinc/09/05/17/974090517.db2.gz OWAATURPNIRDPP-KDOFPFPSSA-N -1 0 335.469 3.545 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000439707521 974108805 /nfs/dbraw/zinc/10/88/05/974108805.db2.gz MUGGSXZKMIEHGQ-CZUORRHYSA-N -1 0 341.432 3.630 20 0 EHADRM CCc1ccc(C(C)(C)C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000439942989 974114196 /nfs/dbraw/zinc/11/41/96/974114196.db2.gz IKADFKZWDWBONL-UHFFFAOYSA-N -1 0 339.435 3.883 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)CC[C@@H](C)c2ccccc2)C(=O)[O-])cc1 ZINC000450521379 974147088 /nfs/dbraw/zinc/14/70/88/974147088.db2.gz XRLUYAZMYPVYJP-VQIMIIECSA-N -1 0 339.435 3.863 20 0 EHADRM Cc1cccc([C@H](C)C(=O)N[C@@H](C)[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000455932038 974172486 /nfs/dbraw/zinc/17/24/86/974172486.db2.gz JCKVDDQZGSZYAM-BXWFABGCSA-N -1 0 339.435 3.547 20 0 EHADRM CC(C)(C)CCC(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000455939292 974174252 /nfs/dbraw/zinc/17/42/52/974174252.db2.gz WLJBQEDQFKDYBD-CYBMUJFWSA-N -1 0 331.334 3.931 20 0 EHADRM CCN(Cc1ccccc1Cl)C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001603749727 974193938 /nfs/dbraw/zinc/19/39/38/974193938.db2.gz UZDDTCMDUMQJCV-FPLPWBNLSA-N -1 0 333.771 3.693 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccccc1F ZINC000472017675 974199132 /nfs/dbraw/zinc/19/91/32/974199132.db2.gz KWAQORIRQCRNRO-GFCCVEGCSA-N -1 0 331.343 3.547 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1F)c1ccc(F)cc1Cl ZINC000478845132 974211233 /nfs/dbraw/zinc/21/12/33/974211233.db2.gz YLTHOFDOMIQLCK-MRVPVSSYSA-N -1 0 339.725 3.807 20 0 EHADRM CC(C)(CCNC(=O)/C=C/c1ccc2ccc(Cl)cc2n1)C(=O)[O-] ZINC000493700643 974260123 /nfs/dbraw/zinc/26/01/23/974260123.db2.gz YASBGSPQJMBMPI-BQYQJAHWSA-N -1 0 346.814 3.519 20 0 EHADRM Cc1ccc(CCCCC(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1 ZINC000499198670 974266229 /nfs/dbraw/zinc/26/62/29/974266229.db2.gz ZGVVMSBVNQFJCZ-UHFFFAOYSA-N -1 0 341.407 3.810 20 0 EHADRM Cc1cc(NCc2ccc(OC[C@@H]3CCCO3)cc2)ccc1C(=O)[O-] ZINC000515802100 974301381 /nfs/dbraw/zinc/30/13/81/974301381.db2.gz YYXWVZQPXPSZKY-SFHVURJKSA-N -1 0 341.407 3.863 20 0 EHADRM CCOCCN(Cc1ccc(C(=O)[O-])o1)Cc1ccc(Cl)s1 ZINC000515856337 974302728 /nfs/dbraw/zinc/30/27/28/974302728.db2.gz SHSQROFYLMSTIG-UHFFFAOYSA-N -1 0 343.832 3.731 20 0 EHADRM CN(c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000516016852 974304032 /nfs/dbraw/zinc/30/40/32/974304032.db2.gz FYYQXCUDUNFMGL-UHFFFAOYSA-N -1 0 347.436 3.507 20 0 EHADRM CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)C[C@@H](C)CC(=O)[O-] ZINC000516784922 974309841 /nfs/dbraw/zinc/30/98/41/974309841.db2.gz RUUFMZZKFBDYOR-PXAZEXFGSA-N -1 0 325.836 3.996 20 0 EHADRM CCO[C@H]1C[C@H](NC(=O)C2(C(=O)[O-])CCCCCC2)C1(CC)CC ZINC001603825197 974320115 /nfs/dbraw/zinc/32/01/15/974320115.db2.gz DYCBUIQBHHFRNS-GJZGRUSLSA-N -1 0 339.476 3.512 20 0 EHADRM CC[C@H]1CO[C@H](C)CN1Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000518547148 974324278 /nfs/dbraw/zinc/32/42/78/974324278.db2.gz WUXLZPLBBYNMSR-WBMJQRKESA-N -1 0 346.452 3.508 20 0 EHADRM CN(C(=O)c1cccc(C(C)(C)C)c1)c1ccc(OCC(=O)[O-])cc1 ZINC000521644025 974347065 /nfs/dbraw/zinc/34/70/65/974347065.db2.gz VSMRUMKYKROQPU-UHFFFAOYSA-N -1 0 341.407 3.724 20 0 EHADRM CCOc1c(Cl)cc(NC(=O)[C@@H](C(=O)[O-])C(C)C)cc1Cl ZINC001603849704 974351963 /nfs/dbraw/zinc/35/19/63/974351963.db2.gz DELICBUMNNCPTL-NSHDSACASA-N -1 0 334.199 3.687 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000537474051 974384322 /nfs/dbraw/zinc/38/43/22/974384322.db2.gz JSOOXCKGHWNIRB-CQSZACIVSA-N -1 0 335.419 3.546 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000537474676 974384763 /nfs/dbraw/zinc/38/47/63/974384763.db2.gz POXWKFQOCJJSGC-UHFFFAOYSA-N -1 0 338.473 3.730 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)CSCc1ccc(Cl)cc1 ZINC000538514267 974389771 /nfs/dbraw/zinc/38/97/71/974389771.db2.gz UCTJULOSZBLVKO-UHFFFAOYSA-N -1 0 343.876 3.723 20 0 EHADRM CC[C@@H]1CC[C@@H](C)N(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)C1 ZINC001603918770 974414924 /nfs/dbraw/zinc/41/49/24/974414924.db2.gz MNNYKSZGIRZYDR-KFZJALRRSA-N -1 0 330.428 3.520 20 0 EHADRM O=C([O-])c1coc(C(=O)NC[C@@H](Cc2ccccc2)c2ccccc2)c1 ZINC000542765271 974416587 /nfs/dbraw/zinc/41/65/87/974416587.db2.gz GEWHBXRHTBVGQB-QGZVFWFLSA-N -1 0 349.386 3.734 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)c3ccc4n[nH]cc4c3)ccc2s1 ZINC000543448973 974418897 /nfs/dbraw/zinc/41/88/97/974418897.db2.gz QWZQIZOUXZTENL-UHFFFAOYSA-N -1 0 337.360 3.728 20 0 EHADRM CCc1ccc(CN(C(=O)Nc2cccnc2C(=O)[O-])C2CC2)cc1 ZINC001603974944 974462253 /nfs/dbraw/zinc/46/22/53/974462253.db2.gz SSONUVLNCIAUOK-UHFFFAOYSA-N -1 0 339.395 3.539 20 0 EHADRM O=C([O-])c1ccc2[nH]c3c(c2c1)CN(c1nc2ccccc2o1)CC3 ZINC000558179866 974494862 /nfs/dbraw/zinc/49/48/62/974494862.db2.gz BAQALIMSLXYSSB-UHFFFAOYSA-N -1 0 333.347 3.570 20 0 EHADRM O=C([O-])c1cccc(OCCN(Cc2ccccc2)CC(F)F)c1 ZINC000563281517 974526170 /nfs/dbraw/zinc/52/61/70/974526170.db2.gz AUCWHFIFHNYFPB-UHFFFAOYSA-N -1 0 335.350 3.531 20 0 EHADRM C[C@H]1CCN(Cc2cc(-c3ccccc3Cl)on2)[C@H](C(=O)[O-])C1 ZINC000563290719 974530025 /nfs/dbraw/zinc/53/00/25/974530025.db2.gz ZUHKAUPHIRFPKA-NHYWBVRUSA-N -1 0 334.803 3.680 20 0 EHADRM Cc1csc(-c2cccc(C(=O)N(C)[C@@H](CC(C)C)C(=O)[O-])c2)n1 ZINC000565251190 974577589 /nfs/dbraw/zinc/57/75/89/974577589.db2.gz QLNXXOZQRWOBTK-HNNXBMFYSA-N -1 0 346.452 3.690 20 0 EHADRM Cc1ccc(CCN(Cc2ccco2)C(=O)C[C@H](C)CC(=O)[O-])cc1 ZINC000565430651 974581836 /nfs/dbraw/zinc/58/18/36/974581836.db2.gz DUHNCAPAJOCBNU-INIZCTEOSA-N -1 0 343.423 3.660 20 0 EHADRM O=C([O-])[C@H](c1ccsc1)N1CCC(OCCc2ccccc2)CC1 ZINC000565425847 974582073 /nfs/dbraw/zinc/58/20/73/974582073.db2.gz IBVQVHDLTODGAW-SFHVURJKSA-N -1 0 345.464 3.598 20 0 EHADRM O=C([O-])CCC(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000565929620 974591715 /nfs/dbraw/zinc/59/17/15/974591715.db2.gz WDDFDCGDAWNYMW-KRWDZBQOSA-N -1 0 335.762 3.550 20 0 EHADRM Cc1sc(N2CC[C@@H](CSc3ccccc3)C2)nc1C(=O)[O-] ZINC000566292236 974603319 /nfs/dbraw/zinc/60/33/19/974603319.db2.gz ZTNZIMZWJMPWQU-GFCCVEGCSA-N -1 0 334.466 3.768 20 0 EHADRM Cc1c(C(=O)NC[C@@H](CC2CC2)C(=O)[O-])oc2c1c(C)ccc2C ZINC000566345404 974606275 /nfs/dbraw/zinc/60/62/75/974606275.db2.gz ROFJQQQZKPSRKS-CQSZACIVSA-N -1 0 329.396 3.589 20 0 EHADRM Cc1nc(CN(CC(=O)[O-])CC(C)C)oc1-c1ccc(Cl)cc1 ZINC000566362055 974609447 /nfs/dbraw/zinc/60/94/47/974609447.db2.gz NFVSGWHKUPFFNX-UHFFFAOYSA-N -1 0 336.819 3.846 20 0 EHADRM CSc1ccc([C@@H](C)NC(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000566506462 974615170 /nfs/dbraw/zinc/61/51/70/974615170.db2.gz AFOYWMDQNADXCP-CYBMUJFWSA-N -1 0 343.448 3.917 20 0 EHADRM O=C([O-])Cc1cccc(-c2cc(F)ccc2OC[C@H]2CCCO2)c1 ZINC000566926510 974624508 /nfs/dbraw/zinc/62/45/08/974624508.db2.gz MPLOHOQLHOCGQU-MRXNPFEDSA-N -1 0 330.355 3.678 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)nc1 ZINC000569473192 974692387 /nfs/dbraw/zinc/69/23/87/974692387.db2.gz SFWXHMNIYRYEOZ-MRXNPFEDSA-N -1 0 326.396 3.541 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cccc3c2OCC3(C)C)c1 ZINC000569623857 974695345 /nfs/dbraw/zinc/69/53/45/974695345.db2.gz QFKBQCCSJZDKDE-LBPRGKRZSA-N -1 0 339.391 3.797 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)nc1 ZINC000569709876 974696911 /nfs/dbraw/zinc/69/69/11/974696911.db2.gz HTIADKMRNZADDJ-UHFFFAOYSA-N -1 0 342.395 3.701 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)[C@H]2CCc3ccccc3C2)cc1)C(=O)[O-] ZINC000572008622 974740065 /nfs/dbraw/zinc/74/00/65/974740065.db2.gz XKITTZIVGLBZCP-KDOFPFPSSA-N -1 0 337.419 3.693 20 0 EHADRM CCc1ccc([C@@H]2CN([C@H](C(=O)[O-])c3ccsc3)CCO2)cc1 ZINC000572168902 974742827 /nfs/dbraw/zinc/74/28/27/974742827.db2.gz PXIIEYRUZZLZRL-IRXDYDNUSA-N -1 0 331.437 3.510 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@@H](C)c2ccccc2Cl)cc1C ZINC000107962940 1014215530 /nfs/dbraw/zinc/21/55/30/1014215530.db2.gz OBBKDRPIVGJKSW-LFVRLGFBSA-N -1 0 349.883 3.942 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)cc1C ZINC000107962990 1014215564 /nfs/dbraw/zinc/21/55/64/1014215564.db2.gz CGRYKKRFFNVXMI-TXBYWVTISA-N -1 0 333.497 3.592 20 0 EHADRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CN(C)CC(=O)[O-] ZINC000577071303 974828467 /nfs/dbraw/zinc/82/84/67/974828467.db2.gz NDTYDENEXJYXLT-UHFFFAOYSA-N -1 0 344.358 3.654 20 0 EHADRM Cc1cccc(Oc2ccc(NC(=O)CSCC(=O)[O-])cc2)c1 ZINC000580537137 974895522 /nfs/dbraw/zinc/89/55/22/974895522.db2.gz WFZKQCDNGVFTSK-UHFFFAOYSA-N -1 0 331.393 3.544 20 0 EHADRM O=C([O-])c1cc(-c2cc(F)ccc2OC[C@@H]2CCOC2)ccc1F ZINC000580843623 974900799 /nfs/dbraw/zinc/90/07/99/974900799.db2.gz FWSKHBQECJVHPR-LLVKDONJSA-N -1 0 334.318 3.745 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC000581609422 974912552 /nfs/dbraw/zinc/91/25/52/974912552.db2.gz BSZLMAANYUIPAX-CQSZACIVSA-N -1 0 344.455 3.880 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)N2CCC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000584040568 974949742 /nfs/dbraw/zinc/94/97/42/974949742.db2.gz PXRBRUGIAHQUKW-RDBXKPKDSA-N -1 0 329.440 3.927 20 0 EHADRM CC1(C)Cc2cccc(NC(=O)Nc3cccc(CC(=O)[O-])c3)c2O1 ZINC000584281268 974952922 /nfs/dbraw/zinc/95/29/22/974952922.db2.gz SWTWDYZLHVLLKI-UHFFFAOYSA-N -1 0 340.379 3.671 20 0 EHADRM C[C@H](CC(=O)N[C@H](CC(=O)[O-])c1cccs1)c1ccc(F)cc1 ZINC000615938830 975023878 /nfs/dbraw/zinc/02/38/78/975023878.db2.gz JRFYFZLHGRGDBL-BXUZGUMPSA-N -1 0 335.400 3.713 20 0 EHADRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000621707207 975063742 /nfs/dbraw/zinc/06/37/42/975063742.db2.gz PJERVYSHUMSDHT-LBPRGKRZSA-N -1 0 348.830 3.847 20 0 EHADRM O=C([O-])c1ccc(-c2nc(CN3CCCC(F)(F)CC3)co2)cc1 ZINC000629368807 975086070 /nfs/dbraw/zinc/08/60/70/975086070.db2.gz WPDASGSIOFKGPV-UHFFFAOYSA-N -1 0 336.338 3.661 20 0 EHADRM O=C([O-])[C@@H]1CC[N@H+](Cc2ncc(-c3cccc(F)c3)o2)[C@H]2CCC[C@@H]21 ZINC000629373314 975087733 /nfs/dbraw/zinc/08/77/33/975087733.db2.gz HVXMSADLIUSYGM-OAGGEKHMSA-N -1 0 344.386 3.556 20 0 EHADRM Cc1ccccc1C1(C(=O)Nc2nc(CC(=O)[O-])cs2)CCCC1 ZINC000630096174 975098177 /nfs/dbraw/zinc/09/81/77/975098177.db2.gz JABILQFCMIGAFG-UHFFFAOYSA-N -1 0 344.436 3.529 20 0 EHADRM Cc1cc(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)oc1C(=O)[O-] ZINC000630108111 975104537 /nfs/dbraw/zinc/10/45/37/975104537.db2.gz UEXOPTAVXLRZSG-UHFFFAOYSA-N -1 0 342.351 3.977 20 0 EHADRM CCN(C(=O)c1cc(C)c(C(=O)[O-])o1)[C@H](C)c1cccc(OC)c1 ZINC000630109575 975104674 /nfs/dbraw/zinc/10/46/74/975104674.db2.gz KFIJCUMFCZNIRK-GFCCVEGCSA-N -1 0 331.368 3.518 20 0 EHADRM Cc1cc(C(=O)N2C[C@@H](c3ccccc3C)C[C@@H]2C)oc1C(=O)[O-] ZINC000630121880 975110270 /nfs/dbraw/zinc/11/02/70/975110270.db2.gz UTJNDNXKXXXSPV-KBPBESRZSA-N -1 0 327.380 3.613 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)[C@@H]3C[C@H]3C3CCOCC3)ccc2s1 ZINC000630134254 975118511 /nfs/dbraw/zinc/11/85/11/975118511.db2.gz UCOBCMZXDNZWLK-UONOGXRCSA-N -1 0 345.420 3.601 20 0 EHADRM CCC[C@@H](C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1ccccn1 ZINC000630141476 975125246 /nfs/dbraw/zinc/12/52/46/975125246.db2.gz GJVUMTJTFLJEFF-MRXNPFEDSA-N -1 0 340.423 3.966 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(OC3CCC3)c(F)c2)oc1C(=O)[O-] ZINC000630152003 975131365 /nfs/dbraw/zinc/13/13/65/975131365.db2.gz HCLCIEMJFJSTGZ-UHFFFAOYSA-N -1 0 333.315 3.609 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)CC(C2CCC2)C2CCC2)cc1 ZINC000630155602 975132730 /nfs/dbraw/zinc/13/27/30/975132730.db2.gz BWHLPCICUZBCDK-UHFFFAOYSA-N -1 0 331.412 3.695 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000630159440 975135592 /nfs/dbraw/zinc/13/55/92/975135592.db2.gz YOQGTPJHKKWBDP-QZTJIDSGSA-N -1 0 329.440 3.674 20 0 EHADRM CSc1cc(C(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)co1 ZINC000630196845 975154934 /nfs/dbraw/zinc/15/49/34/975154934.db2.gz MOXUNNGAJMEAJM-AWEZNQCLSA-N -1 0 339.457 3.935 20 0 EHADRM CC[C@@H](CNC(=O)c1ccc(Oc2ccccc2)cc1C)C(=O)[O-] ZINC000630198576 975156428 /nfs/dbraw/zinc/15/64/28/975156428.db2.gz FAEXDOPYWFYDGX-AWEZNQCLSA-N -1 0 327.380 3.628 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CC2CCC(F)(F)CC2)[C@@H]2CCCC[C@@H]12 ZINC000630208254 975159775 /nfs/dbraw/zinc/15/97/75/975159775.db2.gz RUXYNFWZLOMOEF-RRFJBIMHSA-N -1 0 343.414 3.694 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000630230485 975178043 /nfs/dbraw/zinc/17/80/43/975178043.db2.gz JZIIVZIAMBXHCI-LBPRGKRZSA-N -1 0 349.333 3.584 20 0 EHADRM CC1=CC[C@](C)(C(=O)Nc2ccc(O[C@H](C)C(=O)[O-])c(F)c2)CC1 ZINC000630260795 975204793 /nfs/dbraw/zinc/20/47/93/975204793.db2.gz PKTLWYURONNRBD-XIKOKIGWSA-N -1 0 335.375 3.753 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CCC(F)(F)C[C@H]1C)C(=O)[O-] ZINC000630274891 975219859 /nfs/dbraw/zinc/21/98/59/975219859.db2.gz ONELRZYPHHRVCG-MNOVXSKESA-N -1 0 343.395 3.512 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC000630278209 975222396 /nfs/dbraw/zinc/22/23/96/975222396.db2.gz GEEUYEXIAWJSQT-KCQAQPDRSA-N -1 0 345.370 3.596 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]2CCC[C@H]21 ZINC000630283332 975228382 /nfs/dbraw/zinc/22/83/82/975228382.db2.gz SFSPAVUUKFEPFK-BFHYXJOUSA-N -1 0 347.798 3.802 20 0 EHADRM C[C@H]1CCn2ncc(C(=O)Nc3ccc(C(=O)[O-])c4ccccc34)c2C1 ZINC000630287429 975231851 /nfs/dbraw/zinc/23/18/51/975231851.db2.gz OFNKRALOUQLCPG-LBPRGKRZSA-N -1 0 349.390 3.569 20 0 EHADRM O=C([O-])c1coc(C(=O)Nc2ccc(OC3CCCCC3)cc2)c1 ZINC000630292599 975234340 /nfs/dbraw/zinc/23/43/40/975234340.db2.gz CSYMPLBKAQKHLI-UHFFFAOYSA-N -1 0 329.352 3.942 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C ZINC000630295731 975235971 /nfs/dbraw/zinc/23/59/71/975235971.db2.gz VBWRVUZMIVRGHX-LALPHHSUSA-N -1 0 327.380 3.693 20 0 EHADRM CC[C@@H](CSc1ccccc1)NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000630297075 975236399 /nfs/dbraw/zinc/23/63/99/975236399.db2.gz KCTNBYRTPQZUKE-INIZCTEOSA-N -1 0 343.448 3.614 20 0 EHADRM CC(C)Cn1cc(C(=O)N2C3CCC2(C(=O)[O-])CC3)c2ccccc21 ZINC000630324168 975252083 /nfs/dbraw/zinc/25/20/83/975252083.db2.gz HBRMRTCUMZBXDN-UHFFFAOYSA-N -1 0 340.423 3.519 20 0 EHADRM O=C([O-])C12CCC(CC1)N2C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000630323610 975252360 /nfs/dbraw/zinc/25/23/60/975252360.db2.gz BZJHDVRAFPADIR-UHFFFAOYSA-N -1 0 337.375 3.701 20 0 EHADRM CCCCc1ccc(C(=O)Nc2c(C)nn(CCC(=O)[O-])c2C)cc1 ZINC000630332678 975260681 /nfs/dbraw/zinc/26/06/81/975260681.db2.gz KTDLZVDEKHYAFB-UHFFFAOYSA-N -1 0 343.427 3.570 20 0 EHADRM Cc1ccc(NC(=O)C[C@H](C)CC(=O)[O-])cc1C(=O)c1ccccc1 ZINC000630341049 975263284 /nfs/dbraw/zinc/26/32/84/975263284.db2.gz KWKFRNOIMXASLI-ZDUSSCGKSA-N -1 0 339.391 3.665 20 0 EHADRM C[C@@H](NC(=O)C[C@H](C)CC(=O)[O-])c1ccc(Oc2cccnc2)cc1 ZINC000634836663 975278504 /nfs/dbraw/zinc/27/85/04/975278504.db2.gz LHGWHQADZZJXSP-UONOGXRCSA-N -1 0 342.395 3.552 20 0 EHADRM COCc1ccc([C@H]2CCCN2C(=O)CC2(CC(=O)[O-])CCCC2)o1 ZINC000634911461 975281085 /nfs/dbraw/zinc/28/10/85/975281085.db2.gz ZLDBZUIGMQPIOC-OAHLLOKOSA-N -1 0 349.427 3.515 20 0 EHADRM Cc1ccc(CN(CC2CC2)C(=O)CC2(CC(=O)[O-])CCCC2)cn1 ZINC000634923317 975281155 /nfs/dbraw/zinc/28/11/55/975281155.db2.gz XCZGXVWNJDBGCT-UHFFFAOYSA-N -1 0 344.455 3.554 20 0 EHADRM COCc1cc(NC(=O)c2cc3cccc(F)c3o2)cc(C(=O)[O-])c1 ZINC000644631418 975326472 /nfs/dbraw/zinc/32/64/72/975326472.db2.gz FPZNQRAZTGZMHN-UHFFFAOYSA-N -1 0 343.310 3.669 20 0 EHADRM COC[C@@H](Nc1ccc(C(=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000647450461 975363087 /nfs/dbraw/zinc/36/30/87/975363087.db2.gz QFHBEDZHZJWQDV-CYBMUJFWSA-N -1 0 340.301 3.598 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CC1CC(c2ccccc2)C1)c1cccs1 ZINC000648330976 975379821 /nfs/dbraw/zinc/37/98/21/975379821.db2.gz VDJMLBGAAQFJAI-BCLQGDPASA-N -1 0 343.448 3.964 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000648047806 975379880 /nfs/dbraw/zinc/37/98/80/975379880.db2.gz UJJPTYUBOLXJTJ-LBPRGKRZSA-N -1 0 347.367 3.888 20 0 EHADRM Cc1ccc2cc(Cl)cc(C(=O)N(CCC(=O)[O-])C(C)C)c2n1 ZINC000649244409 975383935 /nfs/dbraw/zinc/38/39/35/975383935.db2.gz DSVFBNBDPCTUHU-UHFFFAOYSA-N -1 0 334.803 3.522 20 0 EHADRM Cc1ccc2cc(Cl)cc(C(=O)N3CC[C@H](C)C[C@H]3C(=O)[O-])c2n1 ZINC000649251319 975388849 /nfs/dbraw/zinc/38/88/49/975388849.db2.gz VNZUMYOGZSGURV-BONVTDFDSA-N -1 0 346.814 3.522 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC000649257912 975398081 /nfs/dbraw/zinc/39/80/81/975398081.db2.gz BAEDHOJZQSDNPK-UHFFFAOYSA-N -1 0 337.419 3.538 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NC(C)(C)c1cccc(Cl)c1F ZINC000649372709 975408645 /nfs/dbraw/zinc/40/86/45/975408645.db2.gz HQBHEUQQAYQKMB-UHFFFAOYSA-N -1 0 329.799 3.721 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000652054949 975460294 /nfs/dbraw/zinc/46/02/94/975460294.db2.gz PXRVPRSDIVDYHP-VNHYZAJKSA-N -1 0 329.396 3.713 20 0 EHADRM C[C@@H](C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000652065105 975465025 /nfs/dbraw/zinc/46/50/25/975465025.db2.gz MFEHLEWBQPTGOE-SJKOYZFVSA-N -1 0 343.810 3.654 20 0 EHADRM C[C@@H]1CN(C(=O)CC(C)(C)CC(=O)[O-])CCc2ccc(Cl)cc21 ZINC000652092294 975487912 /nfs/dbraw/zinc/48/79/12/975487912.db2.gz IFVKBALKNCYCOA-GFCCVEGCSA-N -1 0 337.847 3.719 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC000652100598 975496504 /nfs/dbraw/zinc/49/65/04/975496504.db2.gz LUUYSVBHRAOWOQ-LLVKDONJSA-N -1 0 335.400 3.580 20 0 EHADRM Cc1c2cccc(C)c2oc1CN(C)C(=O)CC(C)(C)CC(=O)[O-] ZINC000652121406 975508657 /nfs/dbraw/zinc/50/86/57/975508657.db2.gz IAWDKBWYNBXMHQ-UHFFFAOYSA-N -1 0 331.412 3.899 20 0 EHADRM C[C@H](c1noc(-c2ccccc2)n1)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000652485897 975551591 /nfs/dbraw/zinc/55/15/91/975551591.db2.gz RSNYGJBMYIDKOF-CYBMUJFWSA-N -1 0 349.390 3.554 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N(Cc2ccccc2)CC2CCC2)c1 ZINC000653639240 975604337 /nfs/dbraw/zinc/60/43/37/975604337.db2.gz IUQDJJUFAPQGJD-UHFFFAOYSA-N -1 0 337.419 3.756 20 0 EHADRM Cc1ccccc1C1CCN(C(=O)c2cccc(CC(=O)[O-])c2)CC1 ZINC000653640100 975606007 /nfs/dbraw/zinc/60/60/07/975606007.db2.gz OAXFZURUWYNIDQ-UHFFFAOYSA-N -1 0 337.419 3.642 20 0 EHADRM C[C@@]1(Cc2ccccc2)CCCN1C(=O)c1cccc(CC(=O)[O-])c1 ZINC000653644991 975614313 /nfs/dbraw/zinc/61/43/13/975614313.db2.gz GDSXIHVTKTVDLC-NRFANRHFSA-N -1 0 337.419 3.551 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1cccc(CC(=O)[O-])c1 ZINC000653644458 975614434 /nfs/dbraw/zinc/61/44/34/975614434.db2.gz NUKGECMAJCNAEA-CHWSQXEVSA-N -1 0 341.382 3.601 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)CCCc2ccc(F)cc2)c2ccccc21 ZINC000655545013 975626095 /nfs/dbraw/zinc/62/60/95/975626095.db2.gz WLEBNSGRLIFINM-KRWDZBQOSA-N -1 0 341.382 3.754 20 0 EHADRM CC(C)c1ccc2c(c1)CN(C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)CC2 ZINC000656851766 975706773 /nfs/dbraw/zinc/70/67/73/975706773.db2.gz QQBLERZAHJCTFJ-IRXDYDNUSA-N -1 0 329.440 3.586 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)[C@@H]1CCCC2(CC2)C1)C(=O)[O-] ZINC000659123076 975723353 /nfs/dbraw/zinc/72/33/53/975723353.db2.gz LSGGFNWNCBFNCX-NVXWUHKLSA-N -1 0 329.440 3.706 20 0 EHADRM CO[C@@H](C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)C1CCCC1 ZINC000659130900 975730304 /nfs/dbraw/zinc/73/03/04/975730304.db2.gz QVWOLJINUVVKOS-OAHLLOKOSA-N -1 0 333.409 3.743 20 0 EHADRM COC1(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CCC(F)(F)CC1 ZINC000659131226 975732045 /nfs/dbraw/zinc/73/20/45/975732045.db2.gz VINYHASULOFTOJ-UHFFFAOYSA-N -1 0 347.745 3.571 20 0 EHADRM CC(C)Oc1c(NC(=O)[C@H]2Cc3ccc(F)cc32)cccc1C(=O)[O-] ZINC001591741192 975749531 /nfs/dbraw/zinc/74/95/31/975749531.db2.gz CSBNTFHGOYIBDV-HNNXBMFYSA-N -1 0 343.354 3.590 20 0 EHADRM CC(C)c1cccc(C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000659150720 975751721 /nfs/dbraw/zinc/75/17/21/975751721.db2.gz DASSMBUOUSSBLK-QGZVFWFLSA-N -1 0 329.371 3.547 20 0 EHADRM CC(C)Oc1c(NC(=O)/C=C/c2cccc(F)c2)cccc1C(=O)[O-] ZINC001591741557 975755971 /nfs/dbraw/zinc/75/59/71/975755971.db2.gz LUDKCDHDMLSMIQ-MDZDMXLPSA-N -1 0 343.354 3.963 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000659165612 975764216 /nfs/dbraw/zinc/76/42/16/975764216.db2.gz GFRBSDJRSZRBJV-MRXNPFEDSA-N -1 0 331.343 3.615 20 0 EHADRM Cc1cscc1C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC000659181379 975775998 /nfs/dbraw/zinc/77/59/98/975775998.db2.gz GBRKQUCALXWXHD-CQSZACIVSA-N -1 0 329.421 3.605 20 0 EHADRM CC(C)Oc1c(NC(=O)[C@H]2C[C@@H]2c2ccccc2)cccc1C(=O)[O-] ZINC001591746567 975785011 /nfs/dbraw/zinc/78/50/11/975785011.db2.gz LSSUBCLIVHAJPO-CVEARBPZSA-N -1 0 339.391 3.914 20 0 EHADRM CSc1ccccc1C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000659194700 975796117 /nfs/dbraw/zinc/79/61/17/975796117.db2.gz MNFOIXKVWPKAHT-IPYPFGDCSA-N -1 0 333.453 3.514 20 0 EHADRM O=C([O-])c1occc1CNC(=O)CC1CCC(c2ccccc2)CC1 ZINC000659200588 975807579 /nfs/dbraw/zinc/80/75/79/975807579.db2.gz JLQDMZIMFMPOET-UHFFFAOYSA-N -1 0 341.407 3.958 20 0 EHADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)CCCCCc2cccs2)n1 ZINC000659204571 975812713 /nfs/dbraw/zinc/81/27/13/975812713.db2.gz RWCQSESVYBVXDO-UHFFFAOYSA-N -1 0 349.456 3.506 20 0 EHADRM CCCc1ccc(CCCC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000659225239 975837130 /nfs/dbraw/zinc/83/71/30/975837130.db2.gz HSEUVIOXQLCPAI-QAPCUYQASA-N -1 0 331.456 3.531 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N[C@@H]1CCCC1(C)C ZINC001591767161 975876929 /nfs/dbraw/zinc/87/69/29/975876929.db2.gz IJDXWISFTRIHSH-OAHLLOKOSA-N -1 0 334.416 3.872 20 0 EHADRM Cc1ccc(-c2csc(CN(CC(=O)[O-])C3CCCC3)n2)cc1 ZINC000659791574 975880159 /nfs/dbraw/zinc/88/01/59/975880159.db2.gz ADPPNHORRACPKO-UHFFFAOYSA-N -1 0 330.453 3.948 20 0 EHADRM Cc1nc2sc3c(c2c(N2CCC[C@@H](CCC(=O)[O-])C2)n1)CCC3 ZINC000662887493 975911011 /nfs/dbraw/zinc/91/10/11/975911011.db2.gz JCEDYGHHTWPGQA-LBPRGKRZSA-N -1 0 345.468 3.570 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000666361660 975960470 /nfs/dbraw/zinc/96/04/70/975960470.db2.gz NENMFSSBVUEGCH-UONOGXRCSA-N -1 0 349.477 3.951 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c(Cl)c1 ZINC001591787998 975966017 /nfs/dbraw/zinc/96/60/17/975966017.db2.gz JGZDNYXLQBOVGP-WDEREUQCSA-N -1 0 325.792 3.567 20 0 EHADRM Cc1ccc(NC(=O)c2ccc([C@H]3CCCOC3)cc2)cc1C(=O)[O-] ZINC000668277222 975981937 /nfs/dbraw/zinc/98/19/37/975981937.db2.gz BRQDRROIDAHBFE-INIZCTEOSA-N -1 0 339.391 3.840 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000668323333 975997529 /nfs/dbraw/zinc/99/75/29/975997529.db2.gz VLHSBAAIFIQBDY-JKOKRWQUSA-N -1 0 343.345 3.569 20 0 EHADRM CC(C)Oc1cccc([C@H](C)OC(=O)c2csc(C(=O)[O-])n2)c1 ZINC001591795701 976000348 /nfs/dbraw/zinc/00/03/48/976000348.db2.gz FADSAGOWJDUWBB-JTQLQIEISA-N -1 0 335.381 3.547 20 0 EHADRM Cc1oc(C)c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c1C ZINC000671667239 976010857 /nfs/dbraw/zinc/01/08/57/976010857.db2.gz VNVBOUXZADZAOC-AWEZNQCLSA-N -1 0 335.787 3.804 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000675000430 976013215 /nfs/dbraw/zinc/01/32/15/976013215.db2.gz REJPGVZEVSESEW-LBPRGKRZSA-N -1 0 335.400 3.818 20 0 EHADRM CC(C)Oc1cccc(NC(=O)NCC2(CC(=O)[O-])CCCC2)c1 ZINC001591797092 976013408 /nfs/dbraw/zinc/01/34/08/976013408.db2.gz WQVVQEJBYOBSSU-UHFFFAOYSA-N -1 0 334.416 3.630 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2cc3cccc(F)c3o2)cc1 ZINC000676025229 976028687 /nfs/dbraw/zinc/02/86/87/976028687.db2.gz HLZVFBCTZQPFMP-UHFFFAOYSA-N -1 0 327.311 3.841 20 0 EHADRM CC[C@H](C(=O)Nc1cccc(C(=O)[O-])c1C)c1ccc(OC)cc1 ZINC000685019040 976093208 /nfs/dbraw/zinc/09/32/08/976093208.db2.gz OPIYIBCSSFXZSY-HNNXBMFYSA-N -1 0 327.380 3.834 20 0 EHADRM CC(C)c1[nH]c(CN(C)Cc2cc3ccccc3[nH]2)cc1C(=O)[O-] ZINC001591910890 976326319 /nfs/dbraw/zinc/32/63/19/976326319.db2.gz OJKIOTWHHJINKY-UHFFFAOYSA-N -1 0 325.412 3.950 20 0 EHADRM CC(C)c1cc(N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)nc(C(C)C)n1 ZINC001591934701 976443698 /nfs/dbraw/zinc/44/36/98/976443698.db2.gz AIFLSNOESBPDFV-AUUYWEPGSA-N -1 0 331.460 3.805 20 0 EHADRM CC(C)c1cc(NC(=O)c2cc(C(=O)[O-])co2)n(-c2ccccc2)n1 ZINC001591936342 976459492 /nfs/dbraw/zinc/45/94/92/976459492.db2.gz UUXRMIUJFRLWFW-UHFFFAOYSA-N -1 0 339.351 3.539 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)c(O)c1 ZINC001591942482 976469885 /nfs/dbraw/zinc/46/98/85/976469885.db2.gz RLRSTBWSZNMGET-ZDUSSCGKSA-N -1 0 333.409 3.523 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c(O)c1 ZINC001591947186 976489747 /nfs/dbraw/zinc/48/97/47/976489747.db2.gz HNKXPVPMSHOMCH-GFCCVEGCSA-N -1 0 327.380 3.956 20 0 EHADRM CC(C)c1ccc(C2(C(=O)N[C@H](C)CC(=O)[O-])CCCCC2)cc1 ZINC001591949037 976504279 /nfs/dbraw/zinc/50/42/79/976504279.db2.gz OXFPFGGJNHRWPP-OAHLLOKOSA-N -1 0 331.456 3.991 20 0 EHADRM CC(C)c1ccc(CCC(=O)NCc2ccccc2CC(=O)[O-])cc1 ZINC001591953338 976516481 /nfs/dbraw/zinc/51/64/81/976516481.db2.gz XSQTYYGVGLGTQN-UHFFFAOYSA-N -1 0 339.435 3.686 20 0 EHADRM CC(C)c1ccc(NC(=O)NOCCC(F)(F)F)c(C(=O)[O-])c1 ZINC001591965784 976559609 /nfs/dbraw/zinc/55/96/09/976559609.db2.gz QLPBMXZNDAWDFL-UHFFFAOYSA-N -1 0 334.294 3.514 20 0 EHADRM CC(C)c1ccc(NC(=O)COCc2ccccc2)c(C(=O)[O-])c1 ZINC001591965982 976561817 /nfs/dbraw/zinc/56/18/17/976561817.db2.gz XEWKEIKNQQWMJK-UHFFFAOYSA-N -1 0 327.380 3.664 20 0 EHADRM CC(C)c1cccc(CNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001591987825 976613746 /nfs/dbraw/zinc/61/37/46/976613746.db2.gz RKIRDKJPSMTTFD-UHFFFAOYSA-N -1 0 330.359 3.969 20 0 EHADRM CC(C)c1cccc(NC(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001591992406 976625953 /nfs/dbraw/zinc/62/59/53/976625953.db2.gz ZTSRGOTUSSWELP-QGZVFWFLSA-N -1 0 344.386 3.939 20 0 EHADRM CC(C)c1cccc(OCC(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])c1 ZINC001591994982 976637480 /nfs/dbraw/zinc/63/74/80/976637480.db2.gz XZEGBRSFHYACBA-QGZVFWFLSA-N -1 0 347.455 3.586 20 0 EHADRM CC(C)c1nc([C@H]2CCCCN2Cc2ccsc2C(=O)[O-])no1 ZINC001592015089 976696211 /nfs/dbraw/zinc/69/62/11/976696211.db2.gz IPDLXNDJLAOVOS-GFCCVEGCSA-N -1 0 335.429 3.680 20 0 EHADRM CC(C)c1scnc1NC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001592117256 976919880 /nfs/dbraw/zinc/91/98/80/976919880.db2.gz PWBSYBOPGRVZEB-UHFFFAOYSA-N -1 0 345.424 3.555 20 0 EHADRM CC(C)n1c(=O)c2ccc(Cl)cc2nc1SCCCC(=O)[O-] ZINC001592121314 976927880 /nfs/dbraw/zinc/92/78/80/976927880.db2.gz NNQIEEGYWBMXSS-UHFFFAOYSA-N -1 0 340.832 3.588 20 0 EHADRM CC(C)n1ncc2cc(CNc3c(F)cc(C(=O)[O-])cc3F)cnc21 ZINC001592162917 977045589 /nfs/dbraw/zinc/04/55/89/977045589.db2.gz JUWGUTYFHAOSFY-UHFFFAOYSA-N -1 0 346.337 3.601 20 0 EHADRM C[C@@H](CC(=O)N[C@H](CC(=O)[O-])Cc1ccccc1)c1cccc(F)c1 ZINC001592258385 977495941 /nfs/dbraw/zinc/49/59/41/977495941.db2.gz DPSSXQRRYFTAAG-KSSFIOAISA-N -1 0 343.398 3.522 20 0 EHADRM C[C@@H](CC(=O)Nc1cc(CCC(=O)[O-])ccc1O)c1ccccc1F ZINC001592262694 977510322 /nfs/dbraw/zinc/51/03/22/977510322.db2.gz YJVWBGQRWGLHIO-LBPRGKRZSA-N -1 0 345.370 3.681 20 0 EHADRM C[C@H](CC(=O)Nc1ncc(C(=O)[O-])s1)Cc1ccc(Cl)cc1 ZINC001592277831 977556408 /nfs/dbraw/zinc/55/64/08/977556408.db2.gz HVPFBHJLSGQZGW-VIFPVBQESA-N -1 0 338.816 3.702 20 0 EHADRM Cc1oc2ccc(NC(=O)N3CCCCC[C@H]3C(=O)[O-])cc2c1C ZINC000654798171 1014413321 /nfs/dbraw/zinc/41/33/21/1014413321.db2.gz JCRGOCFOWZZLCE-HNNXBMFYSA-N -1 0 330.384 3.911 20 0 EHADRM Cc1oc2ccc(NC(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])cc2c1C ZINC000654798517 1014419740 /nfs/dbraw/zinc/41/97/40/1014419740.db2.gz XTWYUWLWVCUSKL-RVSPLBMKSA-N -1 0 342.395 3.767 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)NCC1(c2ccc(F)cc2Cl)CCCC1 ZINC001592351531 977827597 /nfs/dbraw/zinc/82/75/97/977827597.db2.gz NKOGNWYOYMXRBE-NSHDSACASA-N -1 0 341.810 3.518 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)NCc1ccc(Sc2ccc(F)cc2)cc1 ZINC001592356744 977838548 /nfs/dbraw/zinc/83/85/48/977838548.db2.gz ZOTHCMWZZBGVMU-GFCCVEGCSA-N -1 0 347.411 3.704 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N(CCc1ccccc1)CCC(C)(C)C ZINC001592370389 977883462 /nfs/dbraw/zinc/88/34/62/977883462.db2.gz HKXMYQWZITXXNX-MRXNPFEDSA-N -1 0 333.472 3.995 20 0 EHADRM C[C@H](CC(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1)c1ccc(N)cc1 ZINC001592423482 978040024 /nfs/dbraw/zinc/04/00/24/978040024.db2.gz DQWSTQGWQRZUDZ-DIFFPNOSSA-N -1 0 347.798 3.785 20 0 EHADRM C[C@H](CC(=O)Oc1c(C(=O)[O-])ccc2ccccc21)[C@H]1CCCO1 ZINC001592434357 978073951 /nfs/dbraw/zinc/07/39/51/978073951.db2.gz XXCQWEYQWBQNCL-MLGOLLRUSA-N -1 0 328.364 3.649 20 0 EHADRM CC(C)Oc1c(NC(=O)N[C@H](C)CC(F)(F)F)cccc1C(=O)[O-] ZINC001592454458 978164240 /nfs/dbraw/zinc/16/42/40/978164240.db2.gz PCUVHVOVEWRCGR-SECBINFHSA-N -1 0 348.321 3.634 20 0 EHADRM C[C@@H](CCC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC001592470446 978222579 /nfs/dbraw/zinc/22/25/79/978222579.db2.gz ISGZQYHDILEWFX-DKIMLUQUSA-N -1 0 329.440 3.815 20 0 EHADRM C[C@@H](CCCC(F)(F)F)NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001592478128 978249548 /nfs/dbraw/zinc/24/95/48/978249548.db2.gz RQVVKFXPMGCEOG-NSHDSACASA-N -1 0 346.349 3.647 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)N1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC001592491491 978284898 /nfs/dbraw/zinc/28/48/98/978284898.db2.gz MTBMFBSADBNKCD-CUSZFKRNSA-N -1 0 331.456 3.746 20 0 EHADRM C[C@](CCF)(NC(=O)c1cc2c(ccc3ccccc23)o1)C(=O)[O-] ZINC001592497980 978305449 /nfs/dbraw/zinc/30/54/49/978305449.db2.gz KZSGEODYQGNHQI-GOSISDBHSA-N -1 0 329.327 3.519 20 0 EHADRM CC(C)C(=O)Nc1cccc(N[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000736346925 978322496 /nfs/dbraw/zinc/32/24/96/978322496.db2.gz CURLQBDKEMLWAO-MRXNPFEDSA-N -1 0 330.359 3.658 20 0 EHADRM C[C@@H](CCNC(=O)NCCCCC1(C(=O)[O-])CCC1)c1ccccc1 ZINC001592512740 978337977 /nfs/dbraw/zinc/33/79/77/978337977.db2.gz DAHVOSBJGXTESY-INIZCTEOSA-N -1 0 346.471 3.905 20 0 EHADRM C[C@@H](CCOC(=O)c1ccc(C(=O)[O-])[nH]1)c1c[nH]c2ccccc21 ZINC001592529062 978383428 /nfs/dbraw/zinc/38/34/28/978383428.db2.gz KZRKLZJRAYIJCH-NSHDSACASA-N -1 0 326.352 3.545 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC001592540240 978422714 /nfs/dbraw/zinc/42/27/14/978422714.db2.gz IUMAMBZEWLWBCA-ZDUSSCGKSA-N -1 0 341.382 3.682 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC001592541081 978427773 /nfs/dbraw/zinc/42/77/73/978427773.db2.gz UFXOVMIHQCBJPZ-CXAGYDPISA-N -1 0 335.419 3.544 20 0 EHADRM CN(CC(=O)[O-])C(=O)/C=C\c1ccc(-c2ccccc2Cl)s1 ZINC000737974097 978463245 /nfs/dbraw/zinc/46/32/45/978463245.db2.gz VZTWACKQYFLOFI-CLFYSBASSA-N -1 0 335.812 3.625 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)C[C@@H]1CCC(F)(F)C1)C(=O)[O-] ZINC001592601880 978537617 /nfs/dbraw/zinc/53/76/17/978537617.db2.gz GPMDEWPJKICGHX-HIFRSBDPSA-N -1 0 339.382 3.561 20 0 EHADRM O=C([O-])c1ccc(C(=O)Oc2cccc(OCC(F)(F)F)c2)cc1 ZINC000740121955 978670032 /nfs/dbraw/zinc/67/00/32/978670032.db2.gz WFZMVSUERWWAPM-UHFFFAOYSA-N -1 0 340.253 3.545 20 0 EHADRM Cc1oc(-c2ccccc2)nc1C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000746356811 978683276 /nfs/dbraw/zinc/68/32/76/978683276.db2.gz KUMXELQWGQFRJU-UHFFFAOYSA-N -1 0 348.358 3.551 20 0 EHADRM Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)CCCC(=O)[O-] ZINC000753976066 978696030 /nfs/dbraw/zinc/69/60/30/978696030.db2.gz LCOCQKFREUSGAU-NSHDSACASA-N -1 0 332.425 3.551 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCc2ccc3[nH]ccc3c2)ccc1F ZINC000761665727 978714017 /nfs/dbraw/zinc/71/40/17/978714017.db2.gz SSPXWRVXKFSCCJ-UHFFFAOYSA-N -1 0 326.327 3.577 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C1CCC(F)(F)CC1)c1cccc(Cl)c1 ZINC000761900750 978715784 /nfs/dbraw/zinc/71/57/84/978715784.db2.gz ZXDQWOYFWUTCFP-ZDUSSCGKSA-N -1 0 345.773 3.798 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000766844334 978726701 /nfs/dbraw/zinc/72/67/01/978726701.db2.gz COBLZVPLEPZNGL-HOTGVXAUSA-N -1 0 341.794 3.731 20 0 EHADRM C[C@H](CC(=O)N1CCc2cc(C(=O)[O-])ccc21)c1ccc(F)cc1 ZINC000766845346 978727028 /nfs/dbraw/zinc/72/70/28/978727028.db2.gz NPELDMGBNQAARL-GFCCVEGCSA-N -1 0 327.355 3.607 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)CCCc1c[nH]c2ccccc12 ZINC000766847013 978727727 /nfs/dbraw/zinc/72/77/27/978727727.db2.gz VIDXVYMZYNXHFH-UHFFFAOYSA-N -1 0 348.402 3.778 20 0 EHADRM CCOc1ccc2cc(C(=O)Nc3cccc(C(=O)[O-])c3C)[nH]c2c1 ZINC000766898015 978728101 /nfs/dbraw/zinc/72/81/01/978728101.db2.gz PDBNKVHMZBUZSB-UHFFFAOYSA-N -1 0 338.363 3.826 20 0 EHADRM Cc1cc(NC(=O)CC2(CC(=O)[O-])CCCC2)ccc1N1CCCC1 ZINC000767182779 978736013 /nfs/dbraw/zinc/73/60/13/978736013.db2.gz BMIFQNVQNZIGAZ-UHFFFAOYSA-N -1 0 344.455 3.959 20 0 EHADRM Nc1c(Cl)cc(NC(=O)c2ccc(C(=O)[O-])cc2F)cc1Cl ZINC000774051448 978745325 /nfs/dbraw/zinc/74/53/25/978745325.db2.gz CDDGHUQECIDOEJ-UHFFFAOYSA-N -1 0 343.141 3.665 20 0 EHADRM C/C(=C/C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1)C(C)(C)C ZINC000794002052 978811311 /nfs/dbraw/zinc/81/13/11/978811311.db2.gz LNSINLIQDAJZLQ-HTYCJKLOSA-N -1 0 349.858 3.959 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)c2cc(Cl)ccc2C)c1OC ZINC000799243844 978837732 /nfs/dbraw/zinc/83/77/32/978837732.db2.gz QJRDVNOEUBSWTR-UHFFFAOYSA-N -1 0 349.770 3.616 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)NC[C@H]2CCCc3ccccc32)c1 ZINC000811815783 978859308 /nfs/dbraw/zinc/85/93/08/978859308.db2.gz ATSPOTPKTZQVBC-CQSZACIVSA-N -1 0 343.810 3.888 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)NC[C@@H]2CCCc3ccccc32)c1 ZINC000811815782 978859451 /nfs/dbraw/zinc/85/94/51/978859451.db2.gz ATSPOTPKTZQVBC-AWEZNQCLSA-N -1 0 343.810 3.888 20 0 EHADRM CC[C@](C)(NC(=O)c1cc(C(=O)[O-])ccc1Cl)c1nccs1 ZINC000811819301 978863251 /nfs/dbraw/zinc/86/32/51/978863251.db2.gz NFNQQWXWFUHBAW-HNNXBMFYSA-N -1 0 338.816 3.550 20 0 EHADRM C[C@@H](OC(=O)C1CC(OCc2ccccc2)C1)c1ccc(C(=O)[O-])o1 ZINC000827816956 978964982 /nfs/dbraw/zinc/96/49/82/978964982.db2.gz FHRWNZFFHMLEAP-LRVUVFPRSA-N -1 0 344.363 3.577 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000828095291 978969136 /nfs/dbraw/zinc/96/91/36/978969136.db2.gz MNSXCSOWZLOOTL-CYBMUJFWSA-N -1 0 337.725 3.732 20 0 EHADRM CC[C@@H](C)c1nnc(N2CCC[C@H](C(C)(C)C(=O)[O-])C2)n1CC1CC1 ZINC001595017449 979079292 /nfs/dbraw/zinc/07/92/92/979079292.db2.gz GTZVJLWVNCIZGC-HIFRSBDPSA-N -1 0 348.491 3.529 20 0 EHADRM CC[C@@H](C)c1nnc(N2CC[C@@H](C(=O)[O-])C2)n1CC1(CC)CCCC1 ZINC001595019474 979095762 /nfs/dbraw/zinc/09/57/62/979095762.db2.gz ZNSMWWWHKIBUKO-HUUCEWRRSA-N -1 0 348.491 3.673 20 0 EHADRM CC[C@H](C)n1nc(C(=O)Nc2ccc(C)c(C)c2C(=O)[O-])cc1C ZINC001595022302 979103216 /nfs/dbraw/zinc/10/32/16/979103216.db2.gz KBCHDUNDPPVDMJ-NSHDSACASA-N -1 0 329.400 3.730 20 0 EHADRM CC[C@H](C)n1nc(NC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1C ZINC001595022478 979106349 /nfs/dbraw/zinc/10/63/49/979106349.db2.gz CLQPTDSBARIZCS-JTQLQIEISA-N -1 0 348.378 3.573 20 0 EHADRM CC[C@@H](C)n1ncc(C(=O)OCc2cc(C(=O)[O-])ccc2C)c1C ZINC001595026385 979135849 /nfs/dbraw/zinc/13/58/49/979135849.db2.gz IAXZRMKYODFQDC-GFCCVEGCSA-N -1 0 330.384 3.526 20 0 EHADRM O=C([O-])c1ccc(COC(=O)C2(Cc3ccccc3)CC2)cc1F ZINC000833315359 979155442 /nfs/dbraw/zinc/15/54/42/979155442.db2.gz PRFOJZOKWISCMY-UHFFFAOYSA-N -1 0 328.339 3.590 20 0 EHADRM O=C([O-])c1ccc(NCc2cn3cc(Cl)cc(Cl)c3n2)cc1 ZINC000833320849 979157421 /nfs/dbraw/zinc/15/74/21/979157421.db2.gz RYCZBVDTWGOXFA-UHFFFAOYSA-N -1 0 336.178 3.951 20 0 EHADRM CC[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1)c1ccccc1 ZINC001595033073 979173206 /nfs/dbraw/zinc/17/32/06/979173206.db2.gz CQIQDRTXTICTPW-IFXJQAMLSA-N -1 0 343.398 3.960 20 0 EHADRM CC[C@H](CC(=O)N1c2c(cccc2C(=O)[O-])NC(=O)[C@H]1C)C(C)(C)C ZINC001595033258 979174015 /nfs/dbraw/zinc/17/40/15/979174015.db2.gz GVVJYIYXQFAVFK-VXGBXAGGSA-N -1 0 346.427 3.521 20 0 EHADRM CC[C@H](CC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)c1ccc(C)cc1 ZINC001595033719 979178041 /nfs/dbraw/zinc/17/80/41/979178041.db2.gz QUWUWRZCGIEZRY-HGHGUNKESA-N -1 0 343.467 3.982 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cc3ccccc3cc2O)C1 ZINC000833418247 979182832 /nfs/dbraw/zinc/18/28/32/979182832.db2.gz KVHKYRTYVCKISJ-HNNXBMFYSA-N -1 0 341.407 3.508 20 0 EHADRM CC[C@H](CC(C)C)C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001595035748 979187441 /nfs/dbraw/zinc/18/74/41/979187441.db2.gz JNGRMVRMPOMQRT-CQSZACIVSA-N -1 0 332.444 3.996 20 0 EHADRM CC[C@@H](CC(F)(F)F)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001595038082 979206757 /nfs/dbraw/zinc/20/67/57/979206757.db2.gz CIESNVPEVJULAQ-AAEUAGOBSA-N -1 0 345.361 3.933 20 0 EHADRM COC1CCC(CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])CC1 ZINC000833719427 979231203 /nfs/dbraw/zinc/23/12/03/979231203.db2.gz NWRMWPWZIMFKAJ-UHFFFAOYSA-N -1 0 325.430 3.597 20 0 EHADRM C[C@H](CNc1nccc(C(=O)[O-])n1)c1c(Cl)cccc1Cl ZINC001592729081 979240806 /nfs/dbraw/zinc/24/08/06/979240806.db2.gz KXVMDSUOAOODAR-MRVPVSSYSA-N -1 0 326.183 3.697 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)CSc1nc2cc(F)ccc2s1 ZINC001595045126 979250400 /nfs/dbraw/zinc/25/04/00/979250400.db2.gz DABKZBCKRXFRIZ-UHFFFAOYSA-N -1 0 341.429 3.988 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000840943607 979280730 /nfs/dbraw/zinc/28/07/30/979280730.db2.gz HBCIHRIGDUIJKI-STQMWFEESA-N -1 0 329.371 3.831 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cc(C)cc2c(C)ccnc12 ZINC001595053351 979286444 /nfs/dbraw/zinc/28/64/44/979286444.db2.gz JZFZTKSBNUSAQG-UHFFFAOYSA-N -1 0 328.412 3.615 20 0 EHADRM CCC(CC)(CC)C(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12 ZINC001595057661 979301112 /nfs/dbraw/zinc/30/11/12/979301112.db2.gz BEBFDDKREDUULR-UHFFFAOYSA-N -1 0 344.411 3.853 20 0 EHADRM O=C(C=C1CCCC1)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC000841501323 979301993 /nfs/dbraw/zinc/30/19/93/979301993.db2.gz ABMOTLGFCNJXQP-UHFFFAOYSA-N -1 0 328.412 3.814 20 0 EHADRM C[C@](COC(=O)CCCc1cccs1)(C(=O)[O-])c1ccccc1 ZINC001592765385 979370999 /nfs/dbraw/zinc/37/09/99/979370999.db2.gz SNKSJKKLVQPJJL-GOSISDBHSA-N -1 0 332.421 3.657 20 0 EHADRM CCC(CC)(NC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001595092642 979385079 /nfs/dbraw/zinc/38/50/79/979385079.db2.gz BQKNRECXRXAGDU-SNVBAGLBSA-N -1 0 331.334 3.569 20 0 EHADRM C[C@H](COCC1CCCCC1)Nc1ncc(C(=O)[O-])cc1Cl ZINC001592775345 979399229 /nfs/dbraw/zinc/39/92/29/979399229.db2.gz HPASSHOERQIACT-LLVKDONJSA-N -1 0 326.824 3.831 20 0 EHADRM C[C@H](COCC1CCCCC1)NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001592775596 979400321 /nfs/dbraw/zinc/40/03/21/979400321.db2.gz KGCNEYAHFCTGOH-OAHLLOKOSA-N -1 0 339.476 3.513 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)Cc1csc(COc2ccccc2)n1 ZINC000846276183 979443302 /nfs/dbraw/zinc/44/33/02/979443302.db2.gz ZPBMSELTCRKNPI-INIZCTEOSA-N -1 0 348.468 3.653 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC001595121242 979487729 /nfs/dbraw/zinc/48/77/29/979487729.db2.gz HJBCSGSYHLHWCU-UHFFFAOYSA-N -1 0 341.407 3.882 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)[C@@H]1CCCC2(CC2)C1)c1cccc(Cl)c1 ZINC000851599728 979517990 /nfs/dbraw/zinc/51/79/90/979517990.db2.gz BGNXVPLZGHZUMP-UKRRQHHQSA-N -1 0 335.831 3.942 20 0 EHADRM CC[C@H](CCc1ccccc1)NC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC001595128190 979524883 /nfs/dbraw/zinc/52/48/83/979524883.db2.gz JYDJPPQWGXXQPA-MRXNPFEDSA-N -1 0 329.440 3.549 20 0 EHADRM CC(C)c1ccccc1C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000851604352 979527933 /nfs/dbraw/zinc/52/79/33/979527933.db2.gz UVVMELSBTXRSAR-FQEVSTJZSA-N -1 0 325.408 3.582 20 0 EHADRM C[C@H](CSc1ccc(F)cc1)C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-] ZINC001592830083 979552201 /nfs/dbraw/zinc/55/22/01/979552201.db2.gz GZUIMJCEZXCWCZ-RISCZKNCSA-N -1 0 341.448 3.560 20 0 EHADRM O=C([O-])[C@@H]1CCN(Cc2cncc(C(F)(F)F)c2)c2ccccc21 ZINC000851706603 979572498 /nfs/dbraw/zinc/57/24/98/979572498.db2.gz RPQRMWMVPKVIOV-CQSZACIVSA-N -1 0 336.313 3.679 20 0 EHADRM C[C@](Cc1ccc(F)cc1)(NC(=O)C1CCCCCCC1)C(=O)[O-] ZINC001592845500 979615251 /nfs/dbraw/zinc/61/52/51/979615251.db2.gz BYKCGHYHKAYECZ-LJQANCHMSA-N -1 0 335.419 3.688 20 0 EHADRM CCc1ccc(C(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)s1 ZINC000856979336 979617138 /nfs/dbraw/zinc/61/71/38/979617138.db2.gz QDCMOVXBMHCFBF-GJZGRUSLSA-N -1 0 329.421 3.741 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)C[C@]2(C)CC2(Cl)Cl)cc1)C(=O)[O-] ZINC001592857854 979666988 /nfs/dbraw/zinc/66/69/88/979666988.db2.gz AHTPPKKMIPDSQB-MEBBXXQBSA-N -1 0 344.238 3.862 20 0 EHADRM CCO[C@@H](C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)C1CCCC1 ZINC000864100560 979683493 /nfs/dbraw/zinc/68/34/93/979683493.db2.gz SHCNHRZOLPSROF-CQSZACIVSA-N -1 0 325.792 3.572 20 0 EHADRM CC[C@@H](C)N(Cc1ccccc1)C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000864101316 979684802 /nfs/dbraw/zinc/68/48/02/979684802.db2.gz SXHFRIJLTQQZRT-ATWMFIQVSA-N -1 0 327.380 3.818 20 0 EHADRM CC[C@@H](CNC(=O)c1ccc(-c2ccc(Cl)cc2)s1)C(=O)[O-] ZINC001595160918 979688702 /nfs/dbraw/zinc/68/87/02/979688702.db2.gz YEIYGLNUPDEWCU-JTQLQIEISA-N -1 0 337.828 3.909 20 0 EHADRM CC[C@@](CNC(=O)c1ccccc1C(F)F)(C(=O)[O-])c1ccccc1 ZINC001595163385 979695832 /nfs/dbraw/zinc/69/58/32/979695832.db2.gz OECLBZCWLKFLFB-IBGZPJMESA-N -1 0 347.361 3.787 20 0 EHADRM C[C@@H]1CN(C(=O)/C=C/c2cc(C(=O)[O-])co2)CC[C@H]1c1ccccc1 ZINC000864112572 979704333 /nfs/dbraw/zinc/70/43/33/979704333.db2.gz DRCFURGJIXIVSW-WXVPVVBVSA-N -1 0 339.391 3.643 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)/C=C/c2ccc(C(=O)[O-])o2)o1 ZINC000864113498 979705302 /nfs/dbraw/zinc/70/53/02/979705302.db2.gz UPJHJTHZDRIIDK-XYZMPQSBSA-N -1 0 343.379 3.892 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2cc(F)cc(Cl)c2)cc1)C(=O)[O-] ZINC001592871940 979726395 /nfs/dbraw/zinc/72/63/95/979726395.db2.gz CJGCODOUBAFBQQ-JTQLQIEISA-N -1 0 335.762 3.995 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N[C@@H](C)c2cccs2)cc1)C(=O)[O-] ZINC001592872034 979726464 /nfs/dbraw/zinc/72/64/64/979726464.db2.gz IBYVKFXWQFIAQD-RYUDHWBXSA-N -1 0 332.425 3.894 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2ccc(C(F)F)nc2)cc1)C(=O)[O-] ZINC001592872195 979728046 /nfs/dbraw/zinc/72/80/46/979728046.db2.gz GAOKJFPUEPNAIA-SNVBAGLBSA-N -1 0 334.322 3.535 20 0 EHADRM Cc1ccc(C)c([C@H]2CCCN2C(=O)/C=C/c2ccc(C(=O)[O-])o2)c1 ZINC000864129922 979731069 /nfs/dbraw/zinc/73/10/69/979731069.db2.gz OODGNHCSOXBXFB-SYJIQKIWSA-N -1 0 339.391 3.972 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)NCCCc2cccs2)cc1)C(=O)[O-] ZINC001592872689 979731787 /nfs/dbraw/zinc/73/17/87/979731787.db2.gz NUADMQQJEVVTAF-ZDUSSCGKSA-N -1 0 346.452 3.766 20 0 EHADRM CC(C)(CC(=O)N1C[C@H](C(=O)[O-])c2ccccc21)c1ccc(F)cc1 ZINC000864137935 979741391 /nfs/dbraw/zinc/74/13/91/979741391.db2.gz PVFGOVHXMBQHAZ-INIZCTEOSA-N -1 0 341.382 3.708 20 0 EHADRM C[C@H](Cc1ccc(NCc2cccc3c2OC(F)(F)O3)cc1)C(=O)[O-] ZINC001592877323 979743872 /nfs/dbraw/zinc/74/38/72/979743872.db2.gz JVRWRDAKGCZQTA-LLVKDONJSA-N -1 0 349.333 3.883 20 0 EHADRM C[C@@H](Cc1ccc(NCc2ccc(F)c(F)c2N(C)C)cc1)C(=O)[O-] ZINC001592877586 979744806 /nfs/dbraw/zinc/74/48/06/979744806.db2.gz NGOBKRZPQQNVEO-LBPRGKRZSA-N -1 0 348.393 3.906 20 0 EHADRM CC[C@@](CNc1ccnc(-c2ccccc2)n1)(C(=O)[O-])c1ccccc1 ZINC001595172732 979745271 /nfs/dbraw/zinc/74/52/71/979745271.db2.gz NLWIPOQNEDCLAU-NRFANRHFSA-N -1 0 347.418 3.988 20 0 EHADRM C[C@@H](Cc1ccc(Nc2nc(C(F)(F)F)ns2)cc1)C(=O)[O-] ZINC001592881875 979750121 /nfs/dbraw/zinc/75/01/21/979750121.db2.gz AZTYPDPXUIDYHN-ZETCQYMHSA-N -1 0 331.319 3.564 20 0 EHADRM C[C@@H](Cc1ccc(Nc2nc(C3CC3)nc3c2CCC3)cc1)C(=O)[O-] ZINC001592881857 979750293 /nfs/dbraw/zinc/75/02/93/979750293.db2.gz AEEMDEFPLRCBOG-LBPRGKRZSA-N -1 0 337.423 3.850 20 0 EHADRM O=C([O-])c1ccc2c(c1)[C@H](CNC(=O)[C@]13C[C@H]1CCCC3)CCC2 ZINC000864157024 979768293 /nfs/dbraw/zinc/76/82/93/979768293.db2.gz UPTUDYCZNNUBFY-RZQQEMMASA-N -1 0 327.424 3.501 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001592885764 979770874 /nfs/dbraw/zinc/77/08/74/979770874.db2.gz RUEMTVFIDDDFSH-JTQLQIEISA-N -1 0 335.762 3.995 20 0 EHADRM C[C@@H](Oc1ccc(NC(=O)/C=C/C2CCCCC2)cc1F)C(=O)[O-] ZINC000864170270 979798048 /nfs/dbraw/zinc/79/80/48/979798048.db2.gz AIGTVLAIKCOENK-OFFHKIPUSA-N -1 0 335.375 3.753 20 0 EHADRM CCc1ccc(C(=O)Nc2ccc(O[C@@H](C)C(=O)[O-])c(F)c2)s1 ZINC000864171270 979801567 /nfs/dbraw/zinc/80/15/67/979801567.db2.gz TVLROKRNEQICGX-VIFPVBQESA-N -1 0 337.372 3.554 20 0 EHADRM C[C@@H](Cc1ccco1)C(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001592900318 979819779 /nfs/dbraw/zinc/81/97/79/979819779.db2.gz SDHSYGYRQQIVOG-SJCJKPOMSA-N -1 0 328.364 3.777 20 0 EHADRM CC(C)c1ccc(CN(C)C(=O)c2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC000864177474 979821995 /nfs/dbraw/zinc/82/19/95/979821995.db2.gz FKIMJWBHVFSPOE-PKNBQFBNSA-N -1 0 327.380 3.773 20 0 EHADRM CC[C@H](c1ccccc1OC)N(C)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000864178012 979823711 /nfs/dbraw/zinc/82/37/11/979823711.db2.gz VTZOLJNURAKVNA-KUGGDMIFSA-N -1 0 343.379 3.609 20 0 EHADRM C[C@@H](Cc1ccsc1)N(C)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001592906537 979847098 /nfs/dbraw/zinc/84/70/98/979847098.db2.gz NLHIKHZQWQLGOI-ZDUSSCGKSA-N -1 0 346.452 3.860 20 0 EHADRM C[C@H](Cc1cncc2ccccc21)C(=O)N(C)c1ccccc1C(=O)[O-] ZINC001592908018 979860957 /nfs/dbraw/zinc/86/09/57/979860957.db2.gz VWNZIKOORIRATD-CQSZACIVSA-N -1 0 348.402 3.775 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)c1ccc(-c2ccccc2Cl)o1)C1CC1 ZINC000864197781 979866716 /nfs/dbraw/zinc/86/67/16/979866716.db2.gz LKBIKFYQBHJHTD-SFHVURJKSA-N -1 0 347.798 3.973 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@](C)(CC(=O)[O-])C2CC2)c1 ZINC000864199275 979872779 /nfs/dbraw/zinc/87/27/79/979872779.db2.gz SBEMELQOEBYWFE-JLTOFOAXSA-N -1 0 347.455 3.645 20 0 EHADRM CC(Cl)(Cl)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001592912171 979876891 /nfs/dbraw/zinc/87/68/91/979876891.db2.gz FKUNKZXLPKGRSF-UHFFFAOYSA-N -1 0 336.240 3.527 20 0 EHADRM C[C@@H](CC(=O)N[C@](C)(CC(=O)[O-])C1CC1)Cc1ccc(Cl)cc1 ZINC000864204285 979885662 /nfs/dbraw/zinc/88/56/62/979885662.db2.gz VVFONMTYTFPZAN-KZULUSFZSA-N -1 0 337.847 3.668 20 0 EHADRM COc1c(C)cc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cc1C ZINC000864226486 979912644 /nfs/dbraw/zinc/91/26/44/979912644.db2.gz HMHVWIFCXJYKQD-OAHLLOKOSA-N -1 0 339.391 3.531 20 0 EHADRM Cc1cc(F)cc(C)c1C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000864228604 979920754 /nfs/dbraw/zinc/92/07/54/979920754.db2.gz QATKCXXVGUKXJM-CYBMUJFWSA-N -1 0 327.355 3.661 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)CCc2ccccc2C)c1 ZINC000864229673 979925346 /nfs/dbraw/zinc/92/53/46/979925346.db2.gz WTBFLWHFDPEZOM-SFHVURJKSA-N -1 0 325.408 3.568 20 0 EHADRM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1ccccc1C(=O)[O-] ZINC001595204208 979974070 /nfs/dbraw/zinc/97/40/70/979974070.db2.gz BWZXSAQKSCFAIV-AWEZNQCLSA-N -1 0 331.799 3.789 20 0 EHADRM CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(CC(=O)[O-])C(C)C ZINC001595204807 979979411 /nfs/dbraw/zinc/97/94/11/979979411.db2.gz PFKMDXJJNUJLIQ-CYBMUJFWSA-N -1 0 345.361 3.596 20 0 EHADRM CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@](C)(CC)C(=O)[O-] ZINC001595205097 979979511 /nfs/dbraw/zinc/97/95/11/979979511.db2.gz PWWUYQPDNPLVOR-MLGOLLRUSA-N -1 0 345.361 3.644 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC001595210128 979983408 /nfs/dbraw/zinc/98/34/08/979983408.db2.gz CUHZPXMZYABPMZ-GDBMZVCRSA-N -1 0 331.437 3.567 20 0 EHADRM CC(F)(F)CCC(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC001592935151 979996154 /nfs/dbraw/zinc/99/61/54/979996154.db2.gz BCLUZKKXCNBLSQ-UHFFFAOYSA-N -1 0 339.382 3.601 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001595212316 979999220 /nfs/dbraw/zinc/99/92/20/979999220.db2.gz ZFOCEMGSEFVXEE-OAHLLOKOSA-N -1 0 341.407 3.909 20 0 EHADRM CC(F)(F)c1c(F)cccc1NC(=O)NCc1cc(C(=O)[O-])co1 ZINC001592943391 980014187 /nfs/dbraw/zinc/01/41/87/980014187.db2.gz IVUAMSGGFDXRHA-UHFFFAOYSA-N -1 0 342.273 3.550 20 0 EHADRM CC(F)(F)c1ccc(C(=O)N2C[C@H](C(=O)[O-])Cc3ccccc32)cc1 ZINC001592943633 980014939 /nfs/dbraw/zinc/01/49/39/980014939.db2.gz KPILGVGOQMKWJJ-CQSZACIVSA-N -1 0 345.345 3.702 20 0 EHADRM CC(F)(F)c1ccccc1NC(=O)N[C@@](C)(CC(=O)[O-])C1CC1 ZINC001592944062 980019239 /nfs/dbraw/zinc/01/92/39/980019239.db2.gz ICXOFJDWZZVORE-HNNXBMFYSA-N -1 0 326.343 3.563 20 0 EHADRM CC(F)(F)c1c(F)cccc1NC(=O)c1cccc(CC(=O)[O-])c1 ZINC001592944290 980021060 /nfs/dbraw/zinc/02/10/60/980021060.db2.gz XBRWQCMUAIZPKL-UHFFFAOYSA-N -1 0 337.297 3.817 20 0 EHADRM C[C@H](N(C)C(=O)Nc1cc(C(=O)[O-])cc2cccnc21)C1(C)CC1 ZINC001592950831 980032443 /nfs/dbraw/zinc/03/24/43/980032443.db2.gz RLFKDYHVRLTDOY-NSHDSACASA-N -1 0 327.384 3.585 20 0 EHADRM Cc1occ(C(F)(F)F)c1C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC000872727000 980106261 /nfs/dbraw/zinc/10/62/61/980106261.db2.gz YEVLOHHDTKRNNT-LBPRGKRZSA-N -1 0 347.333 3.760 20 0 EHADRM CC[C@H](NC(=O)/C=C/c1cc(C(=O)[O-])co1)c1cc(C)ccc1C ZINC001595237542 980146680 /nfs/dbraw/zinc/14/66/80/980146680.db2.gz KZVYHFXHVITZHB-OZSKJFCKSA-N -1 0 327.380 3.875 20 0 EHADRM CC[C@@](NC(=O)CCCC(C)C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595238295 980154261 /nfs/dbraw/zinc/15/42/61/980154261.db2.gz IWQBYZNHLWSKHL-KRWDZBQOSA-N -1 0 325.836 3.972 20 0 EHADRM CC[C@@H](NC(=O)N1CCC(CC(=O)[O-])CC1)c1cccc(Cl)c1 ZINC001595247800 980194024 /nfs/dbraw/zinc/19/40/24/980194024.db2.gz SODMRXRHASJYTE-OAHLLOKOSA-N -1 0 338.835 3.687 20 0 EHADRM C[C@@H](NC(=O)C1(C)CCCCCC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001592994151 980200396 /nfs/dbraw/zinc/20/03/96/980200396.db2.gz QSBNRHODWLGHID-NVXWUHKLSA-N -1 0 331.456 3.795 20 0 EHADRM CC[C@@H](NC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1)c1ccc(C)cc1 ZINC001595251262 980211220 /nfs/dbraw/zinc/21/12/20/980211220.db2.gz YJVGIOOXAKKEGZ-DGCLKSJQSA-N -1 0 347.440 3.661 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)C[C@H]2CCC3(CCC3)CO2)cc1 ZINC000887325231 980216317 /nfs/dbraw/zinc/21/63/17/980216317.db2.gz JVQDYOZGZRHCTI-CZUORRHYSA-N -1 0 331.412 3.553 20 0 EHADRM O=C([O-])C1CCN(C(=O)Nc2ccc([C@H](F)C(F)(F)F)cc2)CC1 ZINC000887394170 980221845 /nfs/dbraw/zinc/22/18/45/980221845.db2.gz GRQBUEVVPYQCFP-LBPRGKRZSA-N -1 0 348.296 3.588 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCCCC1(C)C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593007125 980224387 /nfs/dbraw/zinc/22/43/87/980224387.db2.gz KRIMLZDYPLHELM-USXIJHARSA-N -1 0 331.456 3.651 20 0 EHADRM C[C@](NC(=O)C1CCCCC1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593007203 980225462 /nfs/dbraw/zinc/22/54/62/980225462.db2.gz NVLZAOFEAIQIEH-MRXNPFEDSA-N -1 0 344.238 3.990 20 0 EHADRM CC[C@H](NC(=O)NCc1cc(C(=O)[O-])co1)C(C)(C)c1ccccc1 ZINC001595253543 980232394 /nfs/dbraw/zinc/23/23/94/980232394.db2.gz SKZZQSRATVNPOH-INIZCTEOSA-N -1 0 344.411 3.533 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)[C@@H]1CCCCO1 ZINC001595256563 980238049 /nfs/dbraw/zinc/23/80/49/980238049.db2.gz CHYHWAOHPHLGJF-HOTGVXAUSA-N -1 0 348.443 3.518 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(C)c(C(=O)[O-])c1)c1ccc(OC)cc1 ZINC001595258262 980252747 /nfs/dbraw/zinc/25/27/47/980252747.db2.gz YDZHTGWQGANQOY-QGZVFWFLSA-N -1 0 342.395 3.975 20 0 EHADRM CC[C@@H](NC(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1)C1CCCC1 ZINC001595258655 980257659 /nfs/dbraw/zinc/25/76/59/980257659.db2.gz WFTBLIOYYLFSTB-LLVKDONJSA-N -1 0 339.461 3.596 20 0 EHADRM C[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc(Cl)c(F)c1 ZINC001593020139 980278938 /nfs/dbraw/zinc/27/89/38/980278938.db2.gz VUKSHMDIHSJBDE-LLVKDONJSA-N -1 0 349.789 3.987 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000901445691 980291705 /nfs/dbraw/zinc/29/17/05/980291705.db2.gz PTMQINSYHFDEJN-UHFFFAOYSA-N -1 0 337.725 3.732 20 0 EHADRM CC[C@H](N[C@@H](C)c1ncc(C(=O)[O-])s1)c1cc(F)ccc1OC ZINC001595281200 980331463 /nfs/dbraw/zinc/33/14/63/980331463.db2.gz KHBAQHVBUONVJY-CABZTGNLSA-N -1 0 338.404 3.791 20 0 EHADRM O=C([O-])c1c[nH]c2cc(NC[C@H]3CCN(c4ccccc4)C3)ccc12 ZINC000901541047 980369902 /nfs/dbraw/zinc/36/99/02/980369902.db2.gz SBJLTHHNNFSLPU-CQSZACIVSA-N -1 0 335.407 3.805 20 0 EHADRM CC[C@H](NCc1ccc(Cl)c(C(=O)[O-])n1)c1ccc(F)cc1F ZINC001595299938 980432074 /nfs/dbraw/zinc/43/20/74/980432074.db2.gz KPXIJBWMUPSMSV-AWEZNQCLSA-N -1 0 340.757 3.952 20 0 EHADRM COCc1cc(N[C@H](C)[C@H](OC)c2ccccc2)cc(C(=O)[O-])c1 ZINC000901735380 980471247 /nfs/dbraw/zinc/47/12/47/980471247.db2.gz ZZMILLYRRFAJMX-ACJLOTCBSA-N -1 0 329.396 3.719 20 0 EHADRM Cc1ccc(-c2nc(CN[C@@H](CC(F)(F)F)C(=O)[O-])cs2)cc1 ZINC000901781150 980511568 /nfs/dbraw/zinc/51/15/68/980511568.db2.gz ZAWPOJYGJSQVOT-LBPRGKRZSA-N -1 0 344.358 3.614 20 0 EHADRM O=C([O-])[C@]1(C(F)(F)F)CCN(Cc2csc(C(F)(F)F)c2)C1 ZINC000901790133 980522021 /nfs/dbraw/zinc/52/20/21/980522021.db2.gz SWLLYINWRYJLDI-JTQLQIEISA-N -1 0 347.280 3.606 20 0 EHADRM COC[C@H](C)Oc1ccc(CNc2cccc([C@H](C)C(=O)[O-])c2)cc1 ZINC000901817137 980537626 /nfs/dbraw/zinc/53/76/26/980537626.db2.gz YKDIHFQSLFYBDG-GJZGRUSLSA-N -1 0 343.423 3.901 20 0 EHADRM CC[C@H](c1ccccc1)N(CC)C(=O)Cc1ccccc1C(=O)[O-] ZINC000901860047 980579982 /nfs/dbraw/zinc/57/99/82/980579982.db2.gz YPLFIROFMCCOQE-GOSISDBHSA-N -1 0 325.408 3.927 20 0 EHADRM C[C@@H](NCc1ccc(C(F)(F)F)s1)c1ncc(C(=O)[O-])s1 ZINC000901908479 980621387 /nfs/dbraw/zinc/62/13/87/980621387.db2.gz UGGOGFHBMGNKES-ZCFIWIBFSA-N -1 0 336.360 3.772 20 0 EHADRM CC(C)(CC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)CC(F)(F)F ZINC000902014668 980692307 /nfs/dbraw/zinc/69/23/07/980692307.db2.gz XIDUUCAJFSHJMU-MRXNPFEDSA-N -1 0 345.361 3.514 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-] ZINC001595355606 980703927 /nfs/dbraw/zinc/70/39/27/980703927.db2.gz GERDNWGLADBRJN-CYBMUJFWSA-N -1 0 343.782 3.854 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC001595356958 980717576 /nfs/dbraw/zinc/71/75/76/980717576.db2.gz OQUXMRPIOYNFFP-MRXNPFEDSA-N -1 0 346.354 3.524 20 0 EHADRM CC(C)(C)NC(=O)c1ccc(NC2CCC(CC(=O)[O-])CC2)cc1 ZINC000902092007 980729334 /nfs/dbraw/zinc/72/93/34/980729334.db2.gz CWNPHUPXDNDOIW-UHFFFAOYSA-N -1 0 332.444 3.660 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1ccsc1 ZINC001595358773 980735223 /nfs/dbraw/zinc/73/52/23/980735223.db2.gz JCAROICLTOKXHN-KBPBESRZSA-N -1 0 336.434 3.988 20 0 EHADRM CNC(=O)c1ccc(C)c(N[C@H]2CCC[C@@H](CCCC(=O)[O-])C2)c1 ZINC000902104385 980735916 /nfs/dbraw/zinc/73/59/16/980735916.db2.gz KZAOIYYBCPKMOR-HOCLYGCPSA-N -1 0 332.444 3.580 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC001595359286 980740195 /nfs/dbraw/zinc/74/01/95/980740195.db2.gz VVRIQMDHTXKDQW-OAHLLOKOSA-N -1 0 335.469 3.851 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC001595359285 980740355 /nfs/dbraw/zinc/74/03/55/980740355.db2.gz VVRIQMDHTXKDQW-HNNXBMFYSA-N -1 0 335.469 3.851 20 0 EHADRM COc1ccc(NCCC(C)(C)C(=O)[O-])cc1OCc1ccncc1 ZINC000902113945 980741355 /nfs/dbraw/zinc/74/13/55/980741355.db2.gz RDOMLEKPZZHKPC-UHFFFAOYSA-N -1 0 344.411 3.582 20 0 EHADRM COCCOCc1cccc(NCc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000902122220 980744884 /nfs/dbraw/zinc/74/48/84/980744884.db2.gz RYYNPHXSFHBUOJ-UHFFFAOYSA-N -1 0 349.814 3.813 20 0 EHADRM CC[C@@H](c1ccc(F)cc1F)[S@](=O)Cc1nc(C(=O)[O-])cs1 ZINC001595359816 980745322 /nfs/dbraw/zinc/74/53/22/980745322.db2.gz KZJZWJSIWQEQLB-AMXDTQDGSA-N -1 0 345.392 3.520 20 0 EHADRM CC[C@H](c1ccc(F)cc1)S(=O)(=O)Cc1csc(C(=O)[O-])c1 ZINC001595360000 980747502 /nfs/dbraw/zinc/74/75/02/980747502.db2.gz PHMOGVMRSODNCD-CQSZACIVSA-N -1 0 342.413 3.652 20 0 EHADRM CC[C@H](C)C(=O)Nc1cccc(CNCc2cc(C)c(C(=O)[O-])o2)c1 ZINC000902144398 980756386 /nfs/dbraw/zinc/75/63/86/980756386.db2.gz OBURJBKSLVEAMP-LBPRGKRZSA-N -1 0 344.411 3.561 20 0 EHADRM O=C([O-])c1ccc(CNc2ccc(C(=O)N3CCCCCC3)cc2)o1 ZINC000902153687 980760244 /nfs/dbraw/zinc/76/02/44/980760244.db2.gz NLOHZZRQMQDEGR-UHFFFAOYSA-N -1 0 342.395 3.606 20 0 EHADRM CC[C@@H](c1ccncc1)N(C)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001595363637 980785143 /nfs/dbraw/zinc/78/51/43/980785143.db2.gz GLWDQWZEQXEQRB-HNNXBMFYSA-N -1 0 332.787 3.657 20 0 EHADRM CCc1oc(CN[C@H](C)c2cn(C(C)(C)C)nc2C)cc1C(=O)[O-] ZINC000902307358 980826015 /nfs/dbraw/zinc/82/60/15/980826015.db2.gz ZPFKPGZPPZFFNW-LLVKDONJSA-N -1 0 333.432 3.651 20 0 EHADRM CCc1oc(CN[C@@H](C)c2cn(C(C)(C)C)nc2C)cc1C(=O)[O-] ZINC000902307359 980826569 /nfs/dbraw/zinc/82/65/69/980826569.db2.gz ZPFKPGZPPZFFNW-NSHDSACASA-N -1 0 333.432 3.651 20 0 EHADRM CC[C@]1(C)CN(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CCO1 ZINC001595370861 980844838 /nfs/dbraw/zinc/84/48/38/980844838.db2.gz SXHSTQYKQJNYTB-LJQANCHMSA-N -1 0 342.395 3.571 20 0 EHADRM CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001595374052 980880190 /nfs/dbraw/zinc/88/01/90/980880190.db2.gz TYJBPMLWMUUFNJ-HZPDHXFCSA-N -1 0 348.443 3.751 20 0 EHADRM CCC1(CC)CCC(NC(=O)Nc2cc(C)c(C(=O)[O-])cn2)CC1 ZINC001595374716 980887312 /nfs/dbraw/zinc/88/73/12/980887312.db2.gz RAASHMNBXXHJFX-UHFFFAOYSA-N -1 0 333.432 3.959 20 0 EHADRM CCC1(CC)Oc2ccc(NC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)cc2O1 ZINC001595376637 980907489 /nfs/dbraw/zinc/90/74/89/980907489.db2.gz FXIGFAOWVRAZCT-CHWSQXEVSA-N -1 0 347.411 3.804 20 0 EHADRM CCc1oc(CN2C[C@@H](c3ccccc3)OC[C@@H]2C)cc1C(=O)[O-] ZINC000902519182 980917594 /nfs/dbraw/zinc/91/75/94/980917594.db2.gz NJIUBLKFWMCRQG-UGSOOPFHSA-N -1 0 329.396 3.502 20 0 EHADRM O=C([O-])c1cc(CN2CCc3sccc3[C@@H]2c2cccs2)on1 ZINC000902528336 980922909 /nfs/dbraw/zinc/92/29/09/980922909.db2.gz CFXRHYDEAKXAKN-OAHLLOKOSA-N -1 0 346.433 3.644 20 0 EHADRM CSc1ccc(N[C@@H]2CCO[C@@H](C(F)(F)F)C2)cc1C(=O)[O-] ZINC000902570083 980938120 /nfs/dbraw/zinc/93/81/20/980938120.db2.gz NCEUYLOMXJPGAX-BXKDBHETSA-N -1 0 335.347 3.629 20 0 EHADRM CC[C@@H]1C[C@H](CC(=O)Oc2ccc(C(=O)[O-])cc2Cl)CCO1 ZINC001595412272 981009703 /nfs/dbraw/zinc/00/97/03/981009703.db2.gz BLONYEGZDCMRCK-ZYHUDNBSSA-N -1 0 326.776 3.539 20 0 EHADRM CC[C@@H]1C[C@H](CC(=O)Nc2ccc(Cl)cc2C(=O)[O-])CCO1 ZINC001595412798 981011673 /nfs/dbraw/zinc/01/16/73/981011673.db2.gz FGSQCJQECYDMOT-ZYHUDNBSSA-N -1 0 325.792 3.572 20 0 EHADRM CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001595415655 981029350 /nfs/dbraw/zinc/02/93/50/981029350.db2.gz JIILNAHGZNQMAH-PSASIEDQSA-N -1 0 328.771 3.972 20 0 EHADRM CCC1CCC(NC(=O)OCc2ccc(Cl)cc2)(C(=O)[O-])CC1 ZINC001595422045 981041199 /nfs/dbraw/zinc/04/11/99/981041199.db2.gz IQULZSMKGIHRDX-UHFFFAOYSA-N -1 0 339.819 3.990 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccccc3)c2)o1 ZINC000538015570 1032102374 /nfs/dbraw/zinc/10/23/74/1032102374.db2.gz PCQLERBPNXOHKH-UHFFFAOYSA-N -1 0 341.388 3.620 20 0 EHADRM CC[C@@H]1CCC[C@@]1(C)C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001595435166 981063376 /nfs/dbraw/zinc/06/33/76/981063376.db2.gz HGJMEMYGKSYMJQ-WOCWXWTJSA-N -1 0 329.440 3.530 20 0 EHADRM CC[C@@H]1CCC[C@]1(C)C(=O)NC[C@H](Cc1cccc(C)c1)C(=O)[O-] ZINC001595435386 981064317 /nfs/dbraw/zinc/06/43/17/981064317.db2.gz JINXSENMDDGYPG-QKLQHJQFSA-N -1 0 331.456 3.571 20 0 EHADRM CC[C@H]1CCCC[C@H]1CNC(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001595442292 981082412 /nfs/dbraw/zinc/08/24/12/981082412.db2.gz YJPZRUZDNLKWRQ-YOEHRIQHSA-N -1 0 344.455 3.669 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NCc2c(Cl)oc3ccccc32)C1 ZINC000905117958 981089677 /nfs/dbraw/zinc/08/96/77/981089677.db2.gz HBMAJJYHKSVQFU-MNOVXSKESA-N -1 0 335.787 3.593 20 0 EHADRM CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001595446592 981093248 /nfs/dbraw/zinc/09/32/48/981093248.db2.gz ADRJFUHHPRWGOH-NHYWBVRUSA-N -1 0 339.819 3.962 20 0 EHADRM CC[C@H]1CCCCCN1C(=O)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC001595448255 981097956 /nfs/dbraw/zinc/09/79/56/981097956.db2.gz NVJYRNMTZZQAFU-INIZCTEOSA-N -1 0 334.416 3.718 20 0 EHADRM CC[C@H]1CCC[C@@H]1CNC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001595450894 981104395 /nfs/dbraw/zinc/10/43/95/981104395.db2.gz DWMWFQHXFORPAA-NWDGAFQWSA-N -1 0 329.400 3.814 20 0 EHADRM CC[C@H]1CCC[C@H]1CNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001595457277 981129173 /nfs/dbraw/zinc/12/91/73/981129173.db2.gz ULRDEKIEYYIUGN-KBPBESRZSA-N -1 0 332.444 3.997 20 0 EHADRM CC[C@H]1CCN(C(=O)Nc2cccc(SCCC(=O)[O-])c2)[C@@H]1C ZINC001595460021 981141860 /nfs/dbraw/zinc/14/18/60/981141860.db2.gz QGQHMCAUKXXGCR-OLZOCXBDSA-N -1 0 336.457 3.906 20 0 EHADRM CSc1ccc(CCC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000907581149 981196005 /nfs/dbraw/zinc/19/60/05/981196005.db2.gz GIIJOMJGLVVJSV-UHFFFAOYSA-N -1 0 343.448 3.698 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc(C2CC2)oc1C1CC1)c1ccccc1F ZINC000907609046 981199435 /nfs/dbraw/zinc/19/94/35/981199435.db2.gz NLNOJCJCLBTMMZ-MRXNPFEDSA-N -1 0 343.354 3.729 20 0 EHADRM CSc1ccc(CCC(=O)N2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000907639546 981203537 /nfs/dbraw/zinc/20/35/37/981203537.db2.gz JTQHFPHDMGVVEM-INIZCTEOSA-N -1 0 341.432 3.556 20 0 EHADRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)Cc3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000907927212 981239812 /nfs/dbraw/zinc/23/98/12/981239812.db2.gz XBTKPHHRQVZEPF-WCIQWLHISA-N -1 0 349.430 3.512 20 0 EHADRM COc1ccc2c(c1)[C@@H](C(=O)Nc1cc(C(C)=O)ccc1[O-])CCC2 ZINC000654985016 1014718640 /nfs/dbraw/zinc/71/86/40/1014718640.db2.gz NEGPUQKOKPIYOQ-INIZCTEOSA-N -1 0 339.391 3.662 20 0 EHADRM CC(C)(CC(=O)N1CCc2ccc(C(=O)[O-])cc21)CC(F)(F)F ZINC000908067425 981259698 /nfs/dbraw/zinc/25/96/98/981259698.db2.gz GKNMCXITKZWSOW-UHFFFAOYSA-N -1 0 329.318 3.643 20 0 EHADRM C[C@]1(C(=O)NCCc2cc3ccc(C(=O)[O-])cc3o2)CC=CCC1 ZINC000908222711 981283161 /nfs/dbraw/zinc/28/31/61/981283161.db2.gz XNZRBDHNBWQNCO-IBGZPJMESA-N -1 0 327.380 3.536 20 0 EHADRM C[C@H](C(=O)NCCCCC1(C(=O)[O-])CCC1)c1ccc(Cl)cc1 ZINC000908338234 981302792 /nfs/dbraw/zinc/30/27/92/981302792.db2.gz HMQRIPNQANSAPK-ZDUSSCGKSA-N -1 0 337.847 3.985 20 0 EHADRM CC/C=C/[C@@H](OC(=O)c1sc2ncccc2c1Cl)C(=O)[O-] ZINC001595513577 981306016 /nfs/dbraw/zinc/30/60/16/981306016.db2.gz FACYIVXAPWFQLU-BSPAPZMXSA-N -1 0 325.773 3.526 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCC1CC1)c1ccc(C(F)(F)F)cc1 ZINC000908412880 981313865 /nfs/dbraw/zinc/31/38/65/981313865.db2.gz VYYBKNXMHBXWGV-ZDUSSCGKSA-N -1 0 329.318 3.528 20 0 EHADRM COc1c(NC(=O)c2ccc3c(c2)CCCC3)cccc1C(=O)[O-] ZINC000908508100 981320085 /nfs/dbraw/zinc/32/00/85/981320085.db2.gz NVUIXJRWACDEAF-UHFFFAOYSA-N -1 0 325.364 3.525 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)Cc1cccc(C(F)F)c1 ZINC000908582942 981322405 /nfs/dbraw/zinc/32/24/05/981322405.db2.gz UJBHHZCOZVKOOI-UHFFFAOYSA-N -1 0 347.361 3.670 20 0 EHADRM CCC[C@@H](C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1ccc(Cl)cc1 ZINC001595531840 981368407 /nfs/dbraw/zinc/36/84/07/981368407.db2.gz AIMVWKLOOJDMDE-APHBMKBZSA-N -1 0 337.847 3.793 20 0 EHADRM CCC[C@H](C(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC001595536366 981382356 /nfs/dbraw/zinc/38/23/56/981382356.db2.gz XQXXKLOLXCHCHP-MOPGFXCFSA-N -1 0 339.435 3.773 20 0 EHADRM CCCC(C)(C)CC(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC001595538236 981390927 /nfs/dbraw/zinc/39/09/27/981390927.db2.gz IRMCFUFEOVLORN-UHFFFAOYSA-N -1 0 335.429 3.991 20 0 EHADRM CCC[C@](C)(NC(=O)Cc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001595546549 981411827 /nfs/dbraw/zinc/41/18/27/981411827.db2.gz GEKFFLNJJOOBSW-FQEVSTJZSA-N -1 0 325.408 3.759 20 0 EHADRM CCC/C(C)=C\C(=O)Oc1ccc(Br)cc1C(=O)[O-] ZINC001595565479 981455470 /nfs/dbraw/zinc/45/54/70/981455470.db2.gz GXDMEJOJUYPPJZ-CLFYSBASSA-N -1 0 327.174 3.799 20 0 EHADRM CC[C@@H]1C[C@H](CC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CCO1 ZINC000909288669 981460496 /nfs/dbraw/zinc/46/04/96/981460496.db2.gz ULZDEUPCZBNZHQ-CZUORRHYSA-N -1 0 333.428 3.583 20 0 EHADRM CCC[C@H](C)CC(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC001595571202 981478859 /nfs/dbraw/zinc/47/88/59/981478859.db2.gz PQLIUOVWOYRPIR-LBPRGKRZSA-N -1 0 345.361 3.945 20 0 EHADRM CC[C@H]1CN(C(=O)c2ccoc2CC(=O)[O-])CC[C@H]1c1ccccc1 ZINC000909415392 981489350 /nfs/dbraw/zinc/48/93/50/981489350.db2.gz ONBBFRZILBZOLS-GOEBONIOSA-N -1 0 341.407 3.563 20 0 EHADRM O=C([O-])C12CCC(C(=O)N(CCC(F)(F)F)CC3CC3)(CC1)CC2 ZINC000909417388 981490272 /nfs/dbraw/zinc/49/02/72/981490272.db2.gz QKTFMWIKVMEVMB-UHFFFAOYSA-N -1 0 347.377 3.603 20 0 EHADRM CCC[C@@H](CC(C)C)C(=O)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001595578710 981502158 /nfs/dbraw/zinc/50/21/58/981502158.db2.gz HPLHOCBAMBYVQG-STQMWFEESA-N -1 0 338.473 3.620 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cc(O)c3ccccc3c2)C1 ZINC000909487894 981507004 /nfs/dbraw/zinc/50/70/04/981507004.db2.gz NVVNVHISLHLJNA-HNNXBMFYSA-N -1 0 341.407 3.508 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]2c2ccccc2)C1 ZINC000909494952 981510904 /nfs/dbraw/zinc/51/09/04/981510904.db2.gz JAQDYMCNSHHPRQ-KURKYZTESA-N -1 0 343.467 3.920 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]2c2ccccc2)C1 ZINC000909494951 981511230 /nfs/dbraw/zinc/51/12/30/981511230.db2.gz JAQDYMCNSHHPRQ-FGTMMUONSA-N -1 0 343.467 3.920 20 0 EHADRM CC[N@H+](C)[C@@H](C(=O)Nc1cc(C(=O)[O-])c(C)cc1C)c1ccccc1 ZINC000909512777 981519983 /nfs/dbraw/zinc/51/99/83/981519983.db2.gz JJEXGIDNSHDHPY-GOSISDBHSA-N -1 0 340.423 3.633 20 0 EHADRM Cc1nc(CC(C)C)oc1C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000909522327 981528515 /nfs/dbraw/zinc/52/85/15/981528515.db2.gz GQPRPXMBOFZSHG-GFCCVEGCSA-N -1 0 344.411 3.697 20 0 EHADRM CCC[C@@H](CC1CCCC1)C(=O)NCc1ccccc1CC(=O)[O-] ZINC001595587388 981541203 /nfs/dbraw/zinc/54/12/03/981541203.db2.gz KMEQVZDKSRWKRU-KRWDZBQOSA-N -1 0 331.456 3.927 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000909557533 981541518 /nfs/dbraw/zinc/54/15/18/981541518.db2.gz KPWSKVCMTXBUHU-FJVVXJACSA-N -1 0 325.364 3.604 20 0 EHADRM CCC[C@@H](NC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1)C(C)(C)C ZINC001595599742 981573629 /nfs/dbraw/zinc/57/36/29/981573629.db2.gz GHAITXUEALTCPC-MRXNPFEDSA-N -1 0 343.427 3.515 20 0 EHADRM CCC[C@@H](NC(=O)c1oc(C(=O)[O-])cc1C)c1ccc(F)cc1F ZINC001595600706 981582885 /nfs/dbraw/zinc/58/28/85/981582885.db2.gz NMZYKFYPVUYCRU-CYBMUJFWSA-N -1 0 337.322 3.836 20 0 EHADRM Cc1ccsc1CCCC(=O)N(C)c1ccc(OCC(=O)[O-])cc1 ZINC000909784304 981619254 /nfs/dbraw/zinc/61/92/54/981619254.db2.gz ATQGCUAPSVLEPP-UHFFFAOYSA-N -1 0 347.436 3.506 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N[C@@H](C)c1cccc(SC(F)(F)F)c1 ZINC001594747101 981637538 /nfs/dbraw/zinc/63/75/38/981637538.db2.gz GUEBJNQSZQRATM-KWQFWETISA-N -1 0 335.347 3.587 20 0 EHADRM C[C@H](NC(=O)CC(C)(C)CC(F)F)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000909823829 981645608 /nfs/dbraw/zinc/64/56/08/981645608.db2.gz PUYPHVDIGPXAKV-GXTWGEPZSA-N -1 0 341.398 3.506 20 0 EHADRM Cc1nc(CC(C)C)oc1C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000909835619 981655130 /nfs/dbraw/zinc/65/51/30/981655130.db2.gz UJKMAHJTARZJQH-NSHDSACASA-N -1 0 330.384 3.622 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)NCC1(c2ccccc2Cl)CCCCC1 ZINC001594752723 981656181 /nfs/dbraw/zinc/65/61/81/981656181.db2.gz FKNWBBUHHIHUIA-CYBMUJFWSA-N -1 0 337.847 3.769 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)NCc1ccccc1-c1ccc(Cl)cc1 ZINC001594755403 981666346 /nfs/dbraw/zinc/66/63/46/981666346.db2.gz JBKXNUZKTZYVIJ-HNNXBMFYSA-N -1 0 331.799 3.734 20 0 EHADRM CC(C)(C)SCCCC(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000909846628 981672813 /nfs/dbraw/zinc/67/28/13/981672813.db2.gz LSDRSZXGXXBFMP-UHFFFAOYSA-N -1 0 327.421 3.703 20 0 EHADRM CCC[C@@H]1C[C@H](C(=O)Nc2c(C)c(C(=O)[O-])ccc2Cl)CCO1 ZINC001595619754 981680807 /nfs/dbraw/zinc/68/08/07/981680807.db2.gz NCXWZEWINCXZAV-VXGBXAGGSA-N -1 0 339.819 3.880 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC001594757769 981681418 /nfs/dbraw/zinc/68/14/18/981681418.db2.gz OFSAPHUNLIGCIQ-BQBZGAKWSA-N -1 0 338.618 3.935 20 0 EHADRM CCC[C@@H]1CCC[C@H]1C(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC001595620369 981688462 /nfs/dbraw/zinc/68/84/62/981688462.db2.gz FQSIWSQKHNUKLL-GDBMZVCRSA-N -1 0 337.847 3.970 20 0 EHADRM CCC[C@@H]1C[C@@H](C(=O)Oc2cc(Cl)ccc2C(=O)[O-])CCO1 ZINC001595620423 981689280 /nfs/dbraw/zinc/68/92/80/981689280.db2.gz HRTFPKQSQJSBFU-CMPLNLGQSA-N -1 0 326.776 3.539 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cn1 ZINC001594759866 981689758 /nfs/dbraw/zinc/68/97/58/981689758.db2.gz SELISWSIHWDJTP-CYBMUJFWSA-N -1 0 334.759 3.577 20 0 EHADRM CCC[C@@H]1C[C@H](C(=O)Oc2ccc(C(=O)[O-])cc2Cl)CCO1 ZINC001595620968 981695153 /nfs/dbraw/zinc/69/51/53/981695153.db2.gz YSNBSFJDLZRSNG-VXGBXAGGSA-N -1 0 326.776 3.539 20 0 EHADRM CCC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(C(=O)[O-])c(OC)c1 ZINC001595621783 981703082 /nfs/dbraw/zinc/70/30/82/981703082.db2.gz OLHNPMYEZXLZHV-HOCLYGCPSA-N -1 0 348.443 3.552 20 0 EHADRM CCC[C@H]1CCC[C@H]1C(=O)Nc1cccnc1SCCC(=O)[O-] ZINC001595622653 981712857 /nfs/dbraw/zinc/71/28/57/981712857.db2.gz VCFJMRPKBHUUBP-QWHCGFSZSA-N -1 0 336.457 3.803 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1ccccc1OC1CC1)c1ccccc1 ZINC001594771188 981745847 /nfs/dbraw/zinc/74/58/47/981745847.db2.gz QOWKUZARHZHFPP-QGZVFWFLSA-N -1 0 339.391 3.738 20 0 EHADRM Cc1c(NC(=O)C2=CCCCC2)cc(Br)cc1C(=O)[O-] ZINC000910085246 981755598 /nfs/dbraw/zinc/75/55/98/981755598.db2.gz ZZXLBMIDVXPEKA-UHFFFAOYSA-N -1 0 338.201 3.895 20 0 EHADRM Cc1oc(C(C)C)nc1C(=O)N1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000910088343 981756550 /nfs/dbraw/zinc/75/65/50/981756550.db2.gz AIPAEXZLJCHTGZ-HUUCEWRRSA-N -1 0 348.443 3.602 20 0 EHADRM CC[C@@H](C(=O)O[C@H](C(=O)[O-])c1ccccc1F)c1ccc(F)cc1 ZINC001594775808 981761531 /nfs/dbraw/zinc/76/15/31/981761531.db2.gz WPZPNMXTVSGZBQ-CJNGLKHVSA-N -1 0 334.318 3.828 20 0 EHADRM C/C(=C/C1CCC(C)CC1)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000910153950 981767323 /nfs/dbraw/zinc/76/73/23/981767323.db2.gz AVNYKHBYNABQGV-WARDDODHSA-N -1 0 336.457 3.791 20 0 EHADRM CCCC[C@@H](C(=O)NC[C@](CC)(C(=O)[O-])c1ccccc1)C(C)C ZINC001595627499 981772822 /nfs/dbraw/zinc/77/28/22/981772822.db2.gz HXGSWGPPNLJXHI-XLIONFOSSA-N -1 0 333.472 3.998 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@H](C)c1c(F)cccc1F ZINC001594779565 981781845 /nfs/dbraw/zinc/78/18/45/981781845.db2.gz BBFHLMVSKNOAED-ADLMAVQZSA-N -1 0 339.382 3.560 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@H](C)OC1CCCCCC1 ZINC001594780293 981783703 /nfs/dbraw/zinc/78/37/03/981783703.db2.gz DYLYCWWHWLFNDJ-IFXJQAMLSA-N -1 0 339.476 3.606 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@H](F)CC1CCCCC1 ZINC001594781637 981788223 /nfs/dbraw/zinc/78/82/23/981788223.db2.gz LHNLMTAFSFAILE-CRAIPNDOSA-N -1 0 327.440 3.787 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@@H]1CCCc2ccccc21 ZINC001594782498 981791514 /nfs/dbraw/zinc/79/15/14/981791514.db2.gz QMAZIJIQHKVQMA-YLJYHZDGSA-N -1 0 329.440 3.598 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)C[C@@H](C)c1cccc(OC)c1 ZINC001594782788 981792228 /nfs/dbraw/zinc/79/22/28/981792228.db2.gz SQCRHSBQPMLGKN-JLTOFOAXSA-N -1 0 347.455 3.681 20 0 EHADRM CCCC[C@@H](C(=O)[O-])N1CC[C@@H]1c1ccc(Br)cc1 ZINC001595628830 981792254 /nfs/dbraw/zinc/79/22/54/981792254.db2.gz NTBIRXAXJKLARC-KGLIPLIRSA-N -1 0 326.234 3.839 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1oc2ccccc2c1C ZINC001594786677 981814603 /nfs/dbraw/zinc/81/46/03/981814603.db2.gz YOIVBMXUYBASAO-LJQANCHMSA-N -1 0 329.396 3.847 20 0 EHADRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)[C@@H]1CCC1(C)C ZINC000910252823 981827343 /nfs/dbraw/zinc/82/73/43/981827343.db2.gz KFKZTAUYCKEOTL-JTQLQIEISA-N -1 0 340.217 3.830 20 0 EHADRM CCCC[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC001595631365 981837766 /nfs/dbraw/zinc/83/77/66/981837766.db2.gz MUYGVAFZLUISPO-MFKMUULPSA-N -1 0 342.233 3.517 20 0 EHADRM CCCO[C@@H]1CCCN(c2nc(C(F)(F)F)ccc2C(=O)[O-])CC1 ZINC000910290151 981845253 /nfs/dbraw/zinc/84/52/53/981845253.db2.gz KMQYQEJWKYRXJK-LLVKDONJSA-N -1 0 346.349 3.584 20 0 EHADRM Cc1nc(NC[C@@H]2CCCO[C@H]2c2ccccc2)ccc1C(=O)[O-] ZINC000910290473 981845563 /nfs/dbraw/zinc/84/55/63/981845563.db2.gz OVRUYFDYNYVPDO-YJBOKZPZSA-N -1 0 326.396 3.668 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(Cc1noc2c1CC(C)(C)CC2)CC1CC1 ZINC001594791700 981852425 /nfs/dbraw/zinc/85/24/25/981852425.db2.gz OPGZANDZAIEAEO-LJQANCHMSA-N -1 0 334.460 3.655 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cccc2c1CCCC2 ZINC001594792746 981863659 /nfs/dbraw/zinc/86/36/59/981863659.db2.gz PWEDQZUKUMPOON-HXUWFJFHSA-N -1 0 329.440 3.671 20 0 EHADRM COc1cccc([C@@H](C)CCCC(=O)N[C@](C)(CC(=O)[O-])C2CC2)c1 ZINC000910316864 981870852 /nfs/dbraw/zinc/87/08/52/981870852.db2.gz IMLVSEXYAOPXBQ-VBKZILBWSA-N -1 0 347.455 3.729 20 0 EHADRM Cc1nc(N[C@@H](C)c2ccc(C(F)(F)F)nc2)ccc1C(=O)[O-] ZINC000910327442 981874183 /nfs/dbraw/zinc/87/41/83/981874183.db2.gz JIHASUZUUQYAKT-QMMMGPOBSA-N -1 0 325.290 3.675 20 0 EHADRM CCCC[C@H](CCC)NC(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC001595633817 981876962 /nfs/dbraw/zinc/87/69/62/981876962.db2.gz XMLXZXLTYRCREZ-AWEZNQCLSA-N -1 0 336.432 3.552 20 0 EHADRM CCCC[C@@H](CCC)NC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001595633833 981878218 /nfs/dbraw/zinc/87/82/18/981878218.db2.gz XWRUXVIVHKNANW-GHMZBOCLSA-N -1 0 327.450 3.560 20 0 EHADRM CCC(C)(C)C1CCC(CC(=O)Nc2nc(C(=O)[O-])ns2)CC1 ZINC001594797300 981886211 /nfs/dbraw/zinc/88/62/11/981886211.db2.gz XZMYUOARLPXNRF-UHFFFAOYSA-N -1 0 339.461 3.808 20 0 EHADRM CCC(C)(C)CNC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001594801269 981896654 /nfs/dbraw/zinc/89/66/54/981896654.db2.gz JCKCWZPPXQFLQS-UHFFFAOYSA-N -1 0 344.411 3.861 20 0 EHADRM Cc1cc(C(=O)N2CCCSC[C@@H]2c2ccccc2)oc1C(=O)[O-] ZINC000910514571 981980563 /nfs/dbraw/zinc/98/05/63/981980563.db2.gz XTVJSTJMCDYFCT-CQSZACIVSA-N -1 0 345.420 3.607 20 0 EHADRM CCCC[C@@H](Nc1ccc(Oc2ccnc(Cl)n2)cc1)C(=O)[O-] ZINC001595644851 981982461 /nfs/dbraw/zinc/98/24/61/981982461.db2.gz DEAPQKCQYIEFIH-CYBMUJFWSA-N -1 0 335.791 3.978 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCSC[C@H]2c2ccccc2)s1 ZINC000910517586 981982708 /nfs/dbraw/zinc/98/27/08/981982708.db2.gz UOJDPCUUAMGVGX-ZDUSSCGKSA-N -1 0 347.461 3.767 20 0 EHADRM CCCC[C@H](S[C@@H](C)C(=O)Nc1ccc(F)c(F)c1)C(=O)[O-] ZINC001595650947 982015410 /nfs/dbraw/zinc/01/54/10/982015410.db2.gz ABEQXVVEHRMKQR-ZANVPECISA-N -1 0 331.384 3.668 20 0 EHADRM CCCC[C@H](SCC(=O)N1CCC[C@@H]2CCCC[C@@H]21)C(=O)[O-] ZINC001595656183 982050899 /nfs/dbraw/zinc/05/08/99/982050899.db2.gz VMQGFHLSIZZKIH-KKUMJFAQSA-N -1 0 327.490 3.544 20 0 EHADRM CCCC[C@H](SCCC1CN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001595656521 982052773 /nfs/dbraw/zinc/05/27/73/982052773.db2.gz ZJIJMFNNTDTYBB-ZDUSSCGKSA-N -1 0 331.478 3.620 20 0 EHADRM CCCC[C@H](SCC(=O)N(Cc1ccccc1)C(C)C)C(=O)[O-] ZINC001595656466 982053114 /nfs/dbraw/zinc/05/31/14/982053114.db2.gz YTKLAQIWHCMMPX-INIZCTEOSA-N -1 0 337.485 3.800 20 0 EHADRM CCc1ccc(C)nc1NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000910684154 982060741 /nfs/dbraw/zinc/06/07/41/982060741.db2.gz XQJKORVKYOCOBV-LBPRGKRZSA-N -1 0 344.436 3.770 20 0 EHADRM CC(C)c1sc(NC(=O)c2cc3c(s2)CCC3)nc1C(=O)[O-] ZINC000910696153 982067282 /nfs/dbraw/zinc/06/72/82/982067282.db2.gz CTSRZXXVRWCVPZ-UHFFFAOYSA-N -1 0 336.438 3.767 20 0 EHADRM CCCCC1CCC(NC(=O)Nc2nc(CC(=O)[O-])cs2)CC1 ZINC001595660682 982073310 /nfs/dbraw/zinc/07/33/10/982073310.db2.gz MCOCRQCSVILHRH-UHFFFAOYSA-N -1 0 339.461 3.641 20 0 EHADRM O=C([O-])c1nc(NC(=O)[C@H]2CCCc3ccccc32)sc1C1CC1 ZINC000910733827 982096685 /nfs/dbraw/zinc/09/66/85/982096685.db2.gz CSQLFYYNNBZULK-ZDUSSCGKSA-N -1 0 342.420 3.777 20 0 EHADRM CCCCC[C@@H](C)CC(=O)Nc1cccc(-n2cc(C(=O)[O-])nn2)c1 ZINC001595666282 982099096 /nfs/dbraw/zinc/09/90/96/982099096.db2.gz HQAACNXYJYJOKM-CYBMUJFWSA-N -1 0 344.415 3.511 20 0 EHADRM O=C([O-])c1nc(NC(=O)C(C2CCC2)C2CCC2)sc1C1CC1 ZINC000910741766 982104041 /nfs/dbraw/zinc/10/40/41/982104041.db2.gz MBIDVMGFSFCQAG-UHFFFAOYSA-N -1 0 334.441 3.874 20 0 EHADRM CCCCC[C@@H](NC(=O)[C@@H](C)Oc1cccc(C(C)(C)C)c1)C(=O)[O-] ZINC001595670507 982119005 /nfs/dbraw/zinc/11/90/05/982119005.db2.gz QWCNYWSWOJEKOB-RHSMWYFYSA-N -1 0 349.471 3.901 20 0 EHADRM CCCCC[C@H](NC(=O)/C=C\Sc1cc(F)ccc1F)C(=O)[O-] ZINC001595672770 982136384 /nfs/dbraw/zinc/13/63/84/982136384.db2.gz SIEVSBWACBZWHM-YXVBKTCISA-N -1 0 343.395 3.720 20 0 EHADRM CCCCC[C@@H](NC(=O)Cc1cc2cc(Cl)ccc2[nH]1)C(=O)[O-] ZINC001595673479 982142773 /nfs/dbraw/zinc/14/27/73/982142773.db2.gz ZMVLTMDZOVZSLS-OAHLLOKOSA-N -1 0 336.819 3.514 20 0 EHADRM CC/C(C)=C(\C)C(=O)Nc1cc(Br)ccc1C(=O)[O-] ZINC001594861566 982147501 /nfs/dbraw/zinc/14/75/01/982147501.db2.gz FGNVRWABLCVRLV-CMDGGOBGSA-N -1 0 326.190 3.832 20 0 EHADRM CCCCC[C@H](NC(=O)c1nc2ccccc2cc1C1CC1)C(=O)[O-] ZINC001595680208 982152337 /nfs/dbraw/zinc/15/23/37/982152337.db2.gz AHPIRRUPGHLAGF-KRWDZBQOSA-N -1 0 340.423 3.876 20 0 EHADRM CCCCC[C@@H](NC(=O)c1cnc(Cl)c2ccccc12)C(=O)[O-] ZINC001595681691 982163520 /nfs/dbraw/zinc/16/35/20/982163520.db2.gz SRLLTZLKGNDLMZ-CQSZACIVSA-N -1 0 334.803 3.652 20 0 EHADRM CC[C@H](C)C(=O)Nc1cccc(CNc2nc(C(=O)[O-])c(C)s2)c1 ZINC001594866026 982172891 /nfs/dbraw/zinc/17/28/91/982172891.db2.gz MSLWRYOFVUAEIX-JTQLQIEISA-N -1 0 347.440 3.746 20 0 EHADRM CCCCCC[C@@H](C)NC(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001595696549 982230872 /nfs/dbraw/zinc/23/08/72/982230872.db2.gz BLRYVCPSKQRLEG-CYBMUJFWSA-N -1 0 346.431 3.601 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)CCc1ccc(F)c2ccccc12)C(=O)[O-] ZINC001594887786 982275225 /nfs/dbraw/zinc/27/52/25/982275225.db2.gz VAGOPPPNKLLVSP-XIKOKIGWSA-N -1 0 331.387 3.527 20 0 EHADRM CCCCCCO[C@@H](C)C(=O)N1CCCc2ccc(C)c(C(=O)[O-])c21 ZINC001595711105 982297587 /nfs/dbraw/zinc/29/75/87/982297587.db2.gz OZDDFHWDPXAWPV-HNNXBMFYSA-N -1 0 347.455 3.958 20 0 EHADRM CCCCCn1c2ccccc2nc1SCC(=O)CCC(=O)[O-] ZINC001595726807 982347810 /nfs/dbraw/zinc/34/78/10/982347810.db2.gz ANOBEBVPYBBLIR-UHFFFAOYSA-N -1 0 334.441 3.753 20 0 EHADRM CC[C@@H](C)CC(=O)N(Cc1ccoc1C(=O)[O-])[C@@H](C)c1ccccn1 ZINC000911327413 982351946 /nfs/dbraw/zinc/35/19/46/982351946.db2.gz FKMZZTHDKYTOIH-KGLIPLIRSA-N -1 0 344.411 3.899 20 0 EHADRM CCCCN(C(=O)Nc1cccc(C(=O)[O-])n1)[C@H]1CCC[C@H](C)C1 ZINC001595731966 982365964 /nfs/dbraw/zinc/36/59/64/982365964.db2.gz MLGNPASWADAFQG-KBPBESRZSA-N -1 0 333.432 3.993 20 0 EHADRM Cc1csc(Nc2ccc(NC(=O)C[C@H](C)CC(=O)[O-])cc2)n1 ZINC000911361737 982378673 /nfs/dbraw/zinc/37/86/73/982378673.db2.gz CNTXAAGQAGBMJV-JTQLQIEISA-N -1 0 333.413 3.635 20 0 EHADRM CCCCN(C)c1ccc(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC001595741268 982400820 /nfs/dbraw/zinc/40/08/20/982400820.db2.gz HUWIINLPGFXMCW-BENRWUELSA-N -1 0 342.395 3.866 20 0 EHADRM CCCCN1C(=O)N[C@H](c2ccc(OC(C)C)cc2)C(C(=O)[O-])=C1C ZINC001595749672 982426653 /nfs/dbraw/zinc/42/66/53/982426653.db2.gz SEAXIAVYERNGSA-QGZVFWFLSA-N -1 0 346.427 3.699 20 0 EHADRM Cc1ncc(-c2ccccc2)cc1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000911429650 982430278 /nfs/dbraw/zinc/43/02/78/982430278.db2.gz DSTHZVMCPSWLPA-CVEARBPZSA-N -1 0 338.407 3.887 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)c1sc(C2CCCCC2)nc1C)C(=O)[O-] ZINC001594913676 982431346 /nfs/dbraw/zinc/43/13/46/982431346.db2.gz YUKOMOGAGIVYJY-GXFFZTMASA-N -1 0 338.473 3.728 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[C@@H]1c1ccc(F)cc1F ZINC000911543701 982486957 /nfs/dbraw/zinc/48/69/57/982486957.db2.gz CGFLTPUPRPGOQU-CQSZACIVSA-N -1 0 335.306 3.542 20 0 EHADRM CCCCO[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(C(=O)[O-])cc2)C1(C)C ZINC001595766233 982496352 /nfs/dbraw/zinc/49/63/52/982496352.db2.gz ZHMCECHRGNVOLN-HZPDHXFCSA-N -1 0 348.443 3.832 20 0 EHADRM CCCCO[C@H]1C[C@@H](NC(=O)CC2(CC(=O)[O-])CCCC2)C1(C)C ZINC001595769611 982498947 /nfs/dbraw/zinc/49/89/47/982498947.db2.gz CMVZMZUZWPCZNG-CABCVRRESA-N -1 0 339.476 3.512 20 0 EHADRM CCCCOc1ccc(C(=O)N(CC)C(C)(C)C(=O)[O-])c(Cl)c1 ZINC001595774059 982527839 /nfs/dbraw/zinc/52/78/39/982527839.db2.gz GNYYXCFWSDCRAO-UHFFFAOYSA-N -1 0 341.835 3.844 20 0 EHADRM CCC[C@@H](C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1)C(C)C ZINC000911597222 982528824 /nfs/dbraw/zinc/52/88/24/982528824.db2.gz ADWHQQDWUXRHCM-GOSISDBHSA-N -1 0 346.471 3.860 20 0 EHADRM CCCCOc1ccc(NC(=O)NC[C@H](CC(=O)[O-])C2CC2)c(C)c1 ZINC001595775842 982543103 /nfs/dbraw/zinc/54/31/03/982543103.db2.gz ZTNCJUVVDNRTCS-HNNXBMFYSA-N -1 0 348.443 3.796 20 0 EHADRM CCCCOc1ccc(C(=O)Nc2nc(C)c(C(=O)[O-])s2)cc1 ZINC001595776512 982543175 /nfs/dbraw/zinc/54/31/75/982543175.db2.gz CPAPQKCMKIJYNQ-UHFFFAOYSA-N -1 0 334.397 3.581 20 0 EHADRM CC[C@H](C)[C@@H]1CCCCN1C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001594929256 982546149 /nfs/dbraw/zinc/54/61/49/982546149.db2.gz RGQPWLPUFHPHAJ-SRVKXCTJSA-N -1 0 339.461 3.513 20 0 EHADRM CCCCS[C@H](C)C(=O)NC[C@H](C(=O)[O-])C1CCCCCC1 ZINC001595786081 982573602 /nfs/dbraw/zinc/57/36/02/982573602.db2.gz NSWXOTJBDCGGJY-HIFRSBDPSA-N -1 0 329.506 3.696 20 0 EHADRM CCCCS[C@@H](C)C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001595786403 982576588 /nfs/dbraw/zinc/57/65/88/982576588.db2.gz VRWDVYJDQLOFOP-XJKSGUPXSA-N -1 0 349.496 3.843 20 0 EHADRM CCCCSc1ccc(Cl)cc1C(=O)N[C@@H](C)/C=C/C(=O)[O-] ZINC001595791854 982591083 /nfs/dbraw/zinc/59/10/83/982591083.db2.gz HPIDMWBUVWEEBY-BWNDKRECSA-N -1 0 341.860 3.991 20 0 EHADRM CCCCSc1nnc(S[C@@H](C)c2nc(C(=O)[O-])co2)s1 ZINC001595792835 982593886 /nfs/dbraw/zinc/59/38/86/982593886.db2.gz ZQAFXTQKJKZRLS-ZETCQYMHSA-N -1 0 345.471 3.970 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000911667822 982594959 /nfs/dbraw/zinc/59/49/59/982594959.db2.gz LHYMAZRMNJTATB-JTQLQIEISA-N -1 0 342.222 3.720 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1)C(=O)[O-] ZINC001594937189 982598035 /nfs/dbraw/zinc/59/80/35/982598035.db2.gz RUQFMIVQCJYGJE-YEWWUXTCSA-N -1 0 349.471 3.891 20 0 EHADRM CCCCc1nc(-c2ccc(OCc3occc3C(=O)[O-])cc2)no1 ZINC001595796871 982604350 /nfs/dbraw/zinc/60/43/50/982604350.db2.gz JYGOXTJZBYXANX-UHFFFAOYSA-N -1 0 342.351 3.949 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000911717098 982610729 /nfs/dbraw/zinc/61/07/29/982610729.db2.gz DKWZWNBGQOFENT-AULYBMBSSA-N -1 0 333.771 3.616 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)s1 ZINC000911741547 982623932 /nfs/dbraw/zinc/62/39/32/982623932.db2.gz CMUJEACPTHJBJO-QDMKHBRRSA-N -1 0 341.432 3.997 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)c1cc2ccnc(Cl)c2s1)C(=O)[O-] ZINC001594944855 982628985 /nfs/dbraw/zinc/62/89/85/982628985.db2.gz JRXICVNSMCEABU-WCBMZHEXSA-N -1 0 340.832 3.569 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)c1ccc(C)c(C(F)(F)F)c1)C(=O)[O-] ZINC001594945266 982632083 /nfs/dbraw/zinc/63/20/83/982632083.db2.gz AQBLTDLSIPHDTK-ZANVPECISA-N -1 0 331.334 3.633 20 0 EHADRM CCc1ccc([C@@H]2CCN(C(=O)C34CCC(C(=O)[O-])(CC3)C4)C2)cc1 ZINC000911756127 982633651 /nfs/dbraw/zinc/63/36/51/982633651.db2.gz FPMNPECRPNHORK-MDMXATFFSA-N -1 0 341.451 3.600 20 0 EHADRM CCc1ccc([C@H]2CCN(C(=O)c3ccc(/C=C\C(=O)[O-])o3)C2)cc1 ZINC000911756144 982633825 /nfs/dbraw/zinc/63/38/25/982633825.db2.gz FXEKPVNLQPZTNJ-YHWKNFMLSA-N -1 0 339.391 3.570 20 0 EHADRM CCCCn1ncc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c1CC ZINC001595807874 982635722 /nfs/dbraw/zinc/63/57/22/982635722.db2.gz WKIJYUIYLLIUGL-UHFFFAOYSA-N -1 0 343.427 3.813 20 0 EHADRM CCCN(C(=O)CCc1ccc(C(=O)[O-])cc1)c1ccccc1F ZINC001595815659 982665592 /nfs/dbraw/zinc/66/55/92/982665592.db2.gz CHNAMUDTSMYXMC-UHFFFAOYSA-N -1 0 329.371 3.900 20 0 EHADRM CCCN(C(=O)CCC[C@@H](C)c1cccc(OC)c1)[C@@H](C)C(=O)[O-] ZINC001595817161 982678844 /nfs/dbraw/zinc/67/88/44/982678844.db2.gz OURNERNPFAJIRZ-CABCVRRESA-N -1 0 335.444 3.681 20 0 EHADRM CC[C@@H](C)CCC(=O)N(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001594953784 982682232 /nfs/dbraw/zinc/68/22/32/982682232.db2.gz WKRFKLFLQNSUKR-PSLIRLAXSA-N -1 0 331.334 3.514 20 0 EHADRM CCCN(C(=O)/C=C(\C)C12CC3CC(CC(C3)C1)C2)[C@H](C)C(=O)[O-] ZINC001595817982 982683530 /nfs/dbraw/zinc/68/35/30/982683530.db2.gz ZCHJGTFJYQMRSL-LAXVMNARSA-N -1 0 333.472 3.861 20 0 EHADRM COCCCCN(Cc1ccccc1)C(=O)c1ccc(C(=O)[O-])s1 ZINC000920030515 982691840 /nfs/dbraw/zinc/69/18/40/982691840.db2.gz ZQZKGPGXHSFTPH-UHFFFAOYSA-N -1 0 347.436 3.515 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)C[C@@H]2CC=CCC2)cc1 ZINC000923065359 982703920 /nfs/dbraw/zinc/70/39/20/982703920.db2.gz ADGJGKFJYNYHFJ-CJNGLKHVSA-N -1 0 333.453 3.787 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)C1(c2cccc(F)c2)CCC1 ZINC000923091874 982717511 /nfs/dbraw/zinc/71/75/11/982717511.db2.gz NDRBLRMANDEYLW-UHFFFAOYSA-N -1 0 333.384 3.954 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)C[C@H]1CCc2sccc2C1=O ZINC000923092651 982718052 /nfs/dbraw/zinc/71/80/52/982718052.db2.gz ODXUJHUMQMNBFG-SECBINFHSA-N -1 0 349.433 3.590 20 0 EHADRM CCCN(C(=O)c1oc(C(=O)[O-])cc1C)[C@@H](C)c1ccccc1OC ZINC001595831656 982723133 /nfs/dbraw/zinc/72/31/33/982723133.db2.gz NTBYAFJMNZKWNH-ZDUSSCGKSA-N -1 0 345.395 3.908 20 0 EHADRM CC[C@@H](C)CSCC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1C ZINC001594966921 982725125 /nfs/dbraw/zinc/72/51/25/982725125.db2.gz IAOLPJSZGVONFD-WBMJQRKESA-N -1 0 348.468 3.501 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)CCC[C@@H](C)c1cccc(OC)c1 ZINC001594971874 982741157 /nfs/dbraw/zinc/74/11/57/982741157.db2.gz LNHGWSCIYXQARW-CABCVRRESA-N -1 0 335.444 3.681 20 0 EHADRM Cc1c(NCC(C)(C)C)cccc1C(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC000923155454 982772093 /nfs/dbraw/zinc/77/20/93/982772093.db2.gz RDITXHMYCQVJNU-UKRRQHHQSA-N -1 0 346.471 3.778 20 0 EHADRM CC[C@H](C)N(CCc1ccccc1F)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001594983629 982787925 /nfs/dbraw/zinc/78/79/25/982787925.db2.gz HUZIEQGBYUHZLH-XIRDDKMYSA-N -1 0 349.446 3.886 20 0 EHADRM CC[C@H](C)N1C(=O)N[C@H](c2ccc(Cl)c(F)c2)C(C(=O)[O-])=C1C ZINC001594985136 982796865 /nfs/dbraw/zinc/79/68/65/982796865.db2.gz HFYBKIJTINRTPX-RMLUDKJBSA-N -1 0 340.782 3.703 20 0 EHADRM CC(C)[C@H]1C[C@@H](CC(=O)NC2(CCC(=O)[O-])CCCCC2)CCO1 ZINC000923217724 982848699 /nfs/dbraw/zinc/84/86/99/982848699.db2.gz HUBLEAYLITUZGF-JKSUJKDBSA-N -1 0 339.476 3.512 20 0 EHADRM CCCN(CCC)c1ccc(NC(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)cc1 ZINC001595879195 982879621 /nfs/dbraw/zinc/87/96/21/982879621.db2.gz ICZIEOKFIAMFHI-RHSMWYFYSA-N -1 0 347.459 3.640 20 0 EHADRM CC[C@H](C)Oc1cc(-c2noc([C@H]3CCC[C@H](C(=O)[O-])C3)n2)ccn1 ZINC001594996745 982902194 /nfs/dbraw/zinc/90/21/94/982902194.db2.gz OWOWWTUWDSYFDP-UBHSHLNASA-N -1 0 345.399 3.667 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)Nc2cc(C)c(C(=O)[O-])c(C)n2)cc1 ZINC001594999385 982906115 /nfs/dbraw/zinc/90/61/15/982906115.db2.gz DYSOWXRKNKEFHC-LBPRGKRZSA-N -1 0 342.395 3.826 20 0 EHADRM CC[C@@H](C)Oc1ccc(-c2noc(-c3cccc(C(=O)[O-])n3)n2)cc1 ZINC001594999989 982911211 /nfs/dbraw/zinc/91/12/11/982911211.db2.gz RAMXQSIZEAATQD-LLVKDONJSA-N -1 0 339.351 3.674 20 0 EHADRM CC[C@H](C)Oc1cc(Nc2ccc(C[C@H](C)C(=O)[O-])cc2)nc(C)n1 ZINC001595000858 982914430 /nfs/dbraw/zinc/91/44/30/982914430.db2.gz ZKGCKPPXXSOFEE-STQMWFEESA-N -1 0 343.427 3.969 20 0 EHADRM CCCN(Cc1ccc(F)cc1F)C(=O)c1cc(C(=O)[O-])oc1C ZINC001595887834 982916272 /nfs/dbraw/zinc/91/62/72/982916272.db2.gz FIZAQFRDHRMFDO-UHFFFAOYSA-N -1 0 337.322 3.617 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)N[C@](C)(CC(=O)[O-])C2CC2)c1 ZINC001595008280 982928081 /nfs/dbraw/zinc/92/80/81/982928081.db2.gz NHVVJPKLSDTZAL-KPZWWZAWSA-N -1 0 334.416 3.629 20 0 EHADRM CC[C@@H](C)Oc1ccc(NC(=O)NCc2cc(C(=O)[O-])c(C)o2)cc1 ZINC001595008870 982929979 /nfs/dbraw/zinc/92/99/79/982929979.db2.gz SCOOCVYLLPCGLR-LLVKDONJSA-N -1 0 346.383 3.785 20 0 EHADRM CC[C@H](C)c1ccc(C(=O)NCCc2ccc(C(=O)[O-])cc2)cc1 ZINC001595009225 982932772 /nfs/dbraw/zinc/93/27/72/982932772.db2.gz GUSZMQIUWNPEKX-AWEZNQCLSA-N -1 0 325.408 3.871 20 0 EHADRM CC[C@H](C)c1ccc(COC(=O)CCc2ocnc2C(=O)[O-])cc1 ZINC001595010358 982939577 /nfs/dbraw/zinc/93/95/77/982939577.db2.gz OYUOPCYDJOJSGG-LBPRGKRZSA-N -1 0 331.368 3.562 20 0 EHADRM CCCN(Cc1ccccc1F)C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001595900226 982951695 /nfs/dbraw/zinc/95/16/95/982951695.db2.gz VQSHBSFSHYFSSD-BQYQJAHWSA-N -1 0 331.343 3.569 20 0 EHADRM CC[C@H](C)c1nc(-c2cn([C@@H]3CCC[C@@H](C(=O)[O-])C3)nn2)cs1 ZINC001595014581 982953504 /nfs/dbraw/zinc/95/35/04/982953504.db2.gz AKKYMUMVZPNDHH-QJPTWQEYSA-N -1 0 334.445 3.731 20 0 EHADRM CC[C@@H](C)c1ccccc1OS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001595015084 982958822 /nfs/dbraw/zinc/95/88/22/982958822.db2.gz DWAIWYWPZJJWSE-GFCCVEGCSA-N -1 0 334.393 3.666 20 0 EHADRM C[C@H](C(=O)N(C)C(C)(C)CC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001118806718 982962722 /nfs/dbraw/zinc/96/27/22/982962722.db2.gz BMBCOSCTJULEQO-VIFPVBQESA-N -1 0 332.227 3.809 20 0 EHADRM CCCNc1ccc(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001595936411 983074083 /nfs/dbraw/zinc/07/40/83/983074083.db2.gz ACJHNKNAROJKPN-UHFFFAOYSA-N -1 0 345.374 3.668 20 0 EHADRM COc1ccccc1N=c1[n-]nc(SCC(=O)C2CCCC2)s1 ZINC000607757434 1014916056 /nfs/dbraw/zinc/91/60/56/1014916056.db2.gz LUYQGVFOPUBQKU-UHFFFAOYSA-N -1 0 349.481 3.564 20 0 EHADRM CCCOc1ccc(CN(C)Cc2cc(C(=O)[O-])c(C)o2)cc1OC ZINC001595954445 983137715 /nfs/dbraw/zinc/13/77/15/983137715.db2.gz LCCLMUCNDPGJGV-UHFFFAOYSA-N -1 0 347.411 3.716 20 0 EHADRM CCCOc1ccc(COC(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC001595960815 983155132 /nfs/dbraw/zinc/15/51/32/983155132.db2.gz OUYXMUZWXHXQKZ-UHFFFAOYSA-N -1 0 342.391 3.850 20 0 EHADRM C[C@@H](O)C[C@H]1CCCCCN1C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000655072497 1014924244 /nfs/dbraw/zinc/92/42/44/1014924244.db2.gz NOPJURMJIBKLFU-VXGBXAGGSA-N -1 0 345.361 3.567 20 0 EHADRM CCC[C@@H]1C[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC001596008114 983265002 /nfs/dbraw/zinc/26/50/02/983265002.db2.gz ORAXBXKPEIUMSI-NXHRZFHOSA-N -1 0 325.408 3.908 20 0 EHADRM CCCc1c(N[C@H](C)[C@H]2C[C@H]2C(=O)[O-])cnn1-c1ccc(C)cc1 ZINC001596050754 983349382 /nfs/dbraw/zinc/34/93/82/983349382.db2.gz LGMAFVAWSJBCAU-FVQBIDKESA-N -1 0 327.428 3.654 20 0 EHADRM CCCc1ccc(CCCC(=O)Nc2ncc(C(=O)[O-])s2)cc1 ZINC001596062214 983371046 /nfs/dbraw/zinc/37/10/46/983371046.db2.gz BNSNKIZYIQTXIJ-UHFFFAOYSA-N -1 0 332.425 3.755 20 0 EHADRM CCCc1ccc([C@@H](NC(=O)NC2CC(CC(=O)[O-])C2)C(C)C)cc1 ZINC001596062920 983373564 /nfs/dbraw/zinc/37/35/64/983373564.db2.gz NAOVDQSIVFYBPO-KVWWFHCMSA-N -1 0 346.471 3.889 20 0 EHADRM CCCc1ccccc1NC(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001596070391 983384117 /nfs/dbraw/zinc/38/41/17/983384117.db2.gz AHTWZSGDZCMCNU-INIZCTEOSA-N -1 0 344.386 3.768 20 0 EHADRM CCCc1nc(C)c(C(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])o1 ZINC001596082163 983398990 /nfs/dbraw/zinc/39/89/90/983398990.db2.gz JLQBLCDVBUYLOB-UHFFFAOYSA-N -1 0 336.775 3.848 20 0 EHADRM CCCc1nc(C)c(CNc2nc(C(F)(F)F)ccc2C(=O)[O-])o1 ZINC001596083330 983405016 /nfs/dbraw/zinc/40/50/16/983405016.db2.gz MMONLRMTQUFPBN-UHFFFAOYSA-N -1 0 343.305 3.660 20 0 EHADRM CCN(C(=O)C(F)(F)Cc1ccccc1)c1ccccc1C(=O)[O-] ZINC001596131515 983479066 /nfs/dbraw/zinc/47/90/66/983479066.db2.gz NMFHZRWZFYTONA-UHFFFAOYSA-N -1 0 333.334 3.616 20 0 EHADRM CCN(C(=O)[C@H]1CC[C@@H](C(F)(F)F)C1)c1ccccc1C(=O)[O-] ZINC001596138333 983489165 /nfs/dbraw/zinc/48/91/65/983489165.db2.gz RPIJOZXHDCULHY-WDEREUQCSA-N -1 0 329.318 3.716 20 0 EHADRM CCN(C(=O)c1ccc(C(C)(C)C)c(Cl)c1)C(C)(C)C(=O)[O-] ZINC001596167323 983532210 /nfs/dbraw/zinc/53/22/10/983532210.db2.gz OHPAXVDDNCZEPI-UHFFFAOYSA-N -1 0 325.836 3.963 20 0 EHADRM CCN(C(=O)c1ccccc1CCC(F)(F)F)C(C)(C)C(=O)[O-] ZINC001596170523 983535579 /nfs/dbraw/zinc/53/55/79/983535579.db2.gz HOSHNVYSYHXOPS-UHFFFAOYSA-N -1 0 331.334 3.507 20 0 EHADRM CCN(C(=O)c1cnnc(-c2ccccc2)c1)c1ccccc1C(=O)[O-] ZINC001596173354 983539780 /nfs/dbraw/zinc/53/97/80/983539780.db2.gz WUQLBMGUDCQUBA-UHFFFAOYSA-N -1 0 347.374 3.509 20 0 EHADRM CCN(CCOc1ccc(C(=O)[O-])cc1Cl)[C@@H](C)C(F)(F)F ZINC001596345460 983793785 /nfs/dbraw/zinc/79/37/85/983793785.db2.gz KNPKFPQJHFGCAD-VIFPVBQESA-N -1 0 339.741 3.690 20 0 EHADRM CCN(Cc1ccncc1)C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC001596375389 983885132 /nfs/dbraw/zinc/88/51/32/983885132.db2.gz YQLUKZBUBVXXIW-UHFFFAOYSA-N -1 0 341.411 3.957 20 0 EHADRM CCN(c1ccc(C(=O)N[C@H](C(=O)[O-])c2cccs2)cc1)C(C)C ZINC001596383185 983907736 /nfs/dbraw/zinc/90/77/36/983907736.db2.gz WMPHURBUFBKOOH-INIZCTEOSA-N -1 0 346.452 3.539 20 0 EHADRM CCNc1ccc(C)cc1C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001596501135 984253374 /nfs/dbraw/zinc/25/33/74/984253374.db2.gz DNTSPIIYFTVHHE-UHFFFAOYSA-N -1 0 337.379 3.859 20 0 EHADRM CCNc1nc(SCc2ccc(C(=O)[O-])o2)nc2ccccc21 ZINC001596504937 984261470 /nfs/dbraw/zinc/26/14/70/984261470.db2.gz JPHMIWABAOSWQB-UHFFFAOYSA-N -1 0 329.381 3.645 20 0 EHADRM CCNc1ncc(C(=O)Nc2cccc3cc(C(=O)[O-])sc32)s1 ZINC001596507643 984266824 /nfs/dbraw/zinc/26/68/24/984266824.db2.gz NMKRUNBXYXRFTM-UHFFFAOYSA-N -1 0 347.421 3.740 20 0 EHADRM O=C(Nc1ccc(Oc2ccc(Cl)cc2)cn1)c1ncccc1[O-] ZINC001625799563 1015026090 /nfs/dbraw/zinc/02/60/90/1015026090.db2.gz YSHMGGZAAAOCRK-UHFFFAOYSA-N -1 0 341.754 3.880 20 0 EHADRM CCOC(=O)[C@H](SCc1ccccc1C(=O)[O-])c1ccccc1 ZINC001596544207 984399336 /nfs/dbraw/zinc/39/93/36/984399336.db2.gz OOVKNXRIAHVQET-MRXNPFEDSA-N -1 0 330.405 3.922 20 0 EHADRM CCOC(=O)C1CCC(SCc2cc(C(=O)[O-])ccc2F)CC1 ZINC001596569359 984459052 /nfs/dbraw/zinc/45/90/52/984459052.db2.gz BRIUTEWYFORZFK-UHFFFAOYSA-N -1 0 340.416 3.879 20 0 EHADRM CCOC(=O)C1CCC(Sc2nc(Cl)c(C(=O)[O-])s2)CC1 ZINC001596569414 984459211 /nfs/dbraw/zinc/45/92/11/984459211.db2.gz CMNCGXYAWKUQET-UHFFFAOYSA-N -1 0 349.861 3.709 20 0 EHADRM CCOC(=O)C1CCC(SCc2cc(C(=O)[O-])c(C)o2)CC1 ZINC001596570433 984463657 /nfs/dbraw/zinc/46/36/57/984463657.db2.gz NEUYRIFLCTZWBQ-UHFFFAOYSA-N -1 0 326.414 3.641 20 0 EHADRM C=COc1ccc(NC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC001588913931 984556669 /nfs/dbraw/zinc/55/66/69/984556669.db2.gz LPOYHYBIMZZAEV-UHFFFAOYSA-N -1 0 334.278 3.829 20 0 EHADRM CCOC(=O)CCS[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001596613425 984575936 /nfs/dbraw/zinc/57/59/36/984575936.db2.gz BQFYFOFPYQRBJC-LBPRGKRZSA-N -1 0 337.224 3.806 20 0 EHADRM C=Cc1ccc(CCNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001588921684 984579948 /nfs/dbraw/zinc/57/99/48/984579948.db2.gz IXVKILMJHHFKHM-UHFFFAOYSA-N -1 0 328.343 3.531 20 0 EHADRM CCOC(=O)CN(Cc1cc(C(=O)[O-])cs1)[C@H](C)c1ccccc1 ZINC001596622256 984598523 /nfs/dbraw/zinc/59/85/23/984598523.db2.gz NVCKABQRXRGDHZ-CYBMUJFWSA-N -1 0 347.436 3.573 20 0 EHADRM C/C(=C/C(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccccc1C ZINC001588943854 984641853 /nfs/dbraw/zinc/64/18/53/984641853.db2.gz GKYWEYAFFIFYCE-KAMYIIQDSA-N -1 0 325.364 3.500 20 0 EHADRM C/C(=C\C(=O)Nc1nc(CCCC(=O)[O-])cs1)c1cccs1 ZINC001588944852 984650088 /nfs/dbraw/zinc/65/00/88/984650088.db2.gz GCNOZSCKLKLTFH-CSKARUKUSA-N -1 0 336.438 3.654 20 0 EHADRM C[C@H](CC(=O)[O-])OC(=O)c1ccc(Oc2ccc(Cl)cn2)cc1 ZINC001599890873 984692582 /nfs/dbraw/zinc/69/25/82/984692582.db2.gz WJZUCCADMFCTDC-SNVBAGLBSA-N -1 0 335.743 3.547 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)Oc1ccc(N(C)C)c(C(=O)[O-])c1 ZINC001599891160 984695975 /nfs/dbraw/zinc/69/59/75/984695975.db2.gz JTNSTLYKWMZODM-CYBMUJFWSA-N -1 0 333.428 3.963 20 0 EHADRM C[C@H](NC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)c1cccnc1 ZINC001599894137 984731205 /nfs/dbraw/zinc/73/12/05/984731205.db2.gz NGQZITSHJAWDKH-LBPRGKRZSA-N -1 0 335.363 3.816 20 0 EHADRM C[C@H](NC(=O)c1ccsc1CC(=O)[O-])c1ccc(F)cc1Cl ZINC001599902805 984870654 /nfs/dbraw/zinc/87/06/54/984870654.db2.gz JZNBCJSHEAXFSQ-QMMMGPOBSA-N -1 0 341.791 3.659 20 0 EHADRM C[C@H](OC(=O)CCOCc1ccccc1)c1ccc(C(=O)[O-])cc1 ZINC001599903891 984896570 /nfs/dbraw/zinc/89/65/70/984896570.db2.gz PCEXULQMUXKLIW-AWEZNQCLSA-N -1 0 328.364 3.596 20 0 EHADRM C[C@H](OC(=O)C12CCC(C(=O)[O-])(CC1)CC2)c1ccc(Cl)cn1 ZINC001599904547 984905636 /nfs/dbraw/zinc/90/56/36/984905636.db2.gz BBHCGNIWVVZJOT-OSSATUEASA-N -1 0 337.803 3.764 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001588998133 984933897 /nfs/dbraw/zinc/93/38/97/984933897.db2.gz IUXYCMVRSFNZED-KAMYIIQDSA-N -1 0 338.407 3.801 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)c2cc3cccc(Cl)c3o2)(C(=O)[O-])CC1 ZINC001599907071 984937589 /nfs/dbraw/zinc/93/75/89/984937589.db2.gz DBXNIUZYLJKJGU-UJYYRWPFSA-N -1 0 335.787 3.850 20 0 EHADRM C/C(=C/c1ccccc1Cl)C(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC001589003774 984956800 /nfs/dbraw/zinc/95/68/00/984956800.db2.gz LGSDNTFEBNTVHX-YUQCYMQKSA-N -1 0 335.831 3.893 20 0 EHADRM CCOC(=O)c1ccc(/C=C(\C(=O)[O-])c2nc(C(C)(C)C)cs2)o1 ZINC001596720136 984962158 /nfs/dbraw/zinc/96/21/58/984962158.db2.gz CAOUWJUYYRRASF-FLIBITNWSA-N -1 0 349.408 3.836 20 0 EHADRM C/C(=C/c1cccnc1)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001589005498 984964618 /nfs/dbraw/zinc/96/46/18/984964618.db2.gz HIDUMFJXNLPIAF-QBFSEMIESA-N -1 0 332.359 3.975 20 0 EHADRM C/C(=C/c1ccccn1)C(=O)N1CCCCc2cc(C(=O)[O-])ccc21 ZINC001589005511 984965482 /nfs/dbraw/zinc/96/54/82/984965482.db2.gz IIPMCGBMQZMQDY-OWBHPGMISA-N -1 0 336.391 3.553 20 0 EHADRM C/C(=C/c1cccnc1)C(=O)Oc1cccc2c(CC(=O)[O-])cccc12 ZINC001589011057 984986570 /nfs/dbraw/zinc/98/65/70/984986570.db2.gz UHKYXCOGMDVORW-KAMYIIQDSA-N -1 0 347.370 3.871 20 0 EHADRM CC(=O)CCCCCOc1ccc(C(=O)[O-])cc1Br ZINC001589035510 985086368 /nfs/dbraw/zinc/08/63/68/985086368.db2.gz UJDYHPGEGFCJST-UHFFFAOYSA-N -1 0 329.190 3.676 20 0 EHADRM CCO[C@H](C)C(=O)Nc1c(-c2ccc(C)cc2)csc1C(=O)[O-] ZINC001596771613 985191802 /nfs/dbraw/zinc/19/18/02/985191802.db2.gz AHJWGQHYQFTWMZ-LLVKDONJSA-N -1 0 333.409 3.785 20 0 EHADRM C[C@H]1Cc2ccccc2N(C(=O)c2cccc3c2CCCC3)[C@H]1C(=O)[O-] ZINC001599937448 985413679 /nfs/dbraw/zinc/41/36/79/985413679.db2.gz PSAUMUSMDDQESG-VBKZILBWSA-N -1 0 349.430 3.858 20 0 EHADRM C[C@]1(c2ccccc2)C[C@H]1C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001599938667 985427741 /nfs/dbraw/zinc/42/77/41/985427741.db2.gz ONSQDSLLCVIGCI-KPZWWZAWSA-N -1 0 331.318 3.579 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)N2C[C@@H](C)c3ccccc32)c(C)c1C(=O)[O-] ZINC001599942438 985471669 /nfs/dbraw/zinc/47/16/69/985471669.db2.gz JZUMKGJFMNSVTA-MFKMUULPSA-N -1 0 326.396 3.525 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)c2ccccc21 ZINC001594480098 985519899 /nfs/dbraw/zinc/51/98/99/985519899.db2.gz NJHRSRZEZLKXTP-CYBMUJFWSA-N -1 0 340.379 3.696 20 0 EHADRM Cc1[nH]c(C(=O)[C@@H](C)Sc2nc3ccccc3o2)c(C)c1C(=O)[O-] ZINC001599947743 985557110 /nfs/dbraw/zinc/55/71/10/985557110.db2.gz GYCRDXYJFCXNTH-SNVBAGLBSA-N -1 0 344.392 3.834 20 0 EHADRM CC(=O)Nc1ccc(C)c(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)c1 ZINC001589189948 985589591 /nfs/dbraw/zinc/58/95/91/985589591.db2.gz OFTYUYFUZJJAMM-UHFFFAOYSA-N -1 0 346.770 3.557 20 0 EHADRM Cc1[nH]c(C(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)c(C)c1C(=O)[O-] ZINC001599952689 985635756 /nfs/dbraw/zinc/63/57/56/985635756.db2.gz LPBLEZBWCRMGMU-JKSUJKDBSA-N -1 0 340.423 3.786 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCSc1ccc(Cl)cc1 ZINC000263479788 1125493953 /nfs/dbraw/zinc/49/39/53/1125493953.db2.gz GBDJXNRZLHNLQV-VXGBXAGGSA-N -1 0 341.860 3.534 20 0 EHADRM Cc1[nH]c(CNc2cc(N(C)C)cc(C(F)(F)F)c2)cc1C(=O)[O-] ZINC001599963577 985847644 /nfs/dbraw/zinc/84/76/44/985847644.db2.gz OJIJKNHCXNHIDV-UHFFFAOYSA-N -1 0 341.333 3.718 20 0 EHADRM CCOCCC1(CNC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)CCC1 ZINC001596902984 985879706 /nfs/dbraw/zinc/87/97/06/985879706.db2.gz XAKUVXVYIAJBJH-CQSZACIVSA-N -1 0 348.443 3.593 20 0 EHADRM Cc1[nH]c2ccccc2c1CC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001599965169 985889931 /nfs/dbraw/zinc/88/99/31/985889931.db2.gz DOVYBTJFGDTDIS-UHFFFAOYSA-N -1 0 347.374 3.837 20 0 EHADRM Cc1[nH]c2c(cccc2C(=O)N2CCc3c2cccc3C(=O)[O-])c1C ZINC001599966173 985910443 /nfs/dbraw/zinc/91/04/43/985910443.db2.gz SGCZJCVABJMMSX-UHFFFAOYSA-N -1 0 334.375 3.686 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])[nH]c1NC(=O)CCc1ccc(C(C)C)cc1 ZINC001589261888 985926169 /nfs/dbraw/zinc/92/61/69/985926169.db2.gz ODQPOBLQIRDMBV-UHFFFAOYSA-N -1 0 342.395 3.610 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)[C@@H]1[C@@H](C)[C@@H]1c1ccccc1 ZINC001589264198 985932715 /nfs/dbraw/zinc/93/27/15/985932715.db2.gz FBELNTAYIKPZAX-UZCIPKQKSA-N -1 0 338.359 3.543 20 0 EHADRM CC(=O)c1ccc(C(=O)N2CCCc3c(C(=O)[O-])ccc(C)c32)s1 ZINC001589273779 985976573 /nfs/dbraw/zinc/97/65/73/985976573.db2.gz NSSWYMUSWZOCBF-UHFFFAOYSA-N -1 0 343.404 3.550 20 0 EHADRM CC(=O)c1ccc(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(C)cc2)cc1 ZINC001589290086 986023847 /nfs/dbraw/zinc/02/38/47/986023847.db2.gz IBLDFWPEDPJSJJ-KRWDZBQOSA-N -1 0 340.379 3.535 20 0 EHADRM Cc1ccc(-c2ncco2)cc1NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000579843231 1015181296 /nfs/dbraw/zinc/18/12/96/1015181296.db2.gz ZPZMYWHGGLCRBV-UHFFFAOYSA-N -1 0 342.395 3.870 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N[C@@H](C(=O)[O-])c1ccsc1 ZINC001599977626 986116176 /nfs/dbraw/zinc/11/61/76/986116176.db2.gz ANOGBCSKYOPSBE-CYBMUJFWSA-N -1 0 329.377 3.667 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N[C@@H](CC(=O)[O-])C1CCCC1 ZINC001599978490 986127894 /nfs/dbraw/zinc/12/78/94/986127894.db2.gz GDKXTZQSZFQKEJ-HNNXBMFYSA-N -1 0 329.396 3.813 20 0 EHADRM Cc1c2cccc(Cl)c2[nH]c1C(=O)N[C@H](CC(=O)[O-])C1CCCC1 ZINC001599978729 986131486 /nfs/dbraw/zinc/13/14/86/986131486.db2.gz LLYDTPNPPTUSMF-CQSZACIVSA-N -1 0 348.830 3.893 20 0 EHADRM C[C@@H](C(=O)N(C)C(C)(C)CC(=O)[O-])c1ccccc1C(F)(F)F ZINC001589336304 986219709 /nfs/dbraw/zinc/21/97/09/986219709.db2.gz YULODMXQTNHMNT-SNVBAGLBSA-N -1 0 331.334 3.521 20 0 EHADRM C[C@@H](C(=O)N1C[C@@H](C(=O)[O-])Cc2ccccc21)c1cc2ccccc2o1 ZINC001589342382 986267568 /nfs/dbraw/zinc/26/75/68/986267568.db2.gz KYNUZOZMCXNJKH-CJNGLKHVSA-N -1 0 349.386 3.826 20 0 EHADRM CCOc1c(F)cccc1C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC001596991916 986272597 /nfs/dbraw/zinc/27/25/97/986272597.db2.gz WTUXPGXNSBYLFT-LLVKDONJSA-N -1 0 331.343 3.665 20 0 EHADRM CCOc1c(Cl)cccc1NC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001596992233 986275426 /nfs/dbraw/zinc/27/54/26/986275426.db2.gz DYVWIRCKHSDWAT-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](CC)OC1CCCCC1 ZINC001597008869 986338171 /nfs/dbraw/zinc/33/81/71/986338171.db2.gz GJHPFPWOTACKBD-MRXNPFEDSA-N -1 0 349.427 3.850 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC001597010317 986350348 /nfs/dbraw/zinc/35/03/48/986350348.db2.gz YIPDXYGDFOGQBJ-HUUCEWRRSA-N -1 0 331.412 3.938 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CC(C2CCCCC2)C1 ZINC001597015696 986369502 /nfs/dbraw/zinc/36/95/02/986369502.db2.gz SQFJFQJLYBZMTI-UHFFFAOYSA-N -1 0 346.427 3.828 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@@H](C(C)C)C1 ZINC001597016838 986386373 /nfs/dbraw/zinc/38/63/73/986386373.db2.gz LHIMNCYFTIQBSM-CQSZACIVSA-N -1 0 334.416 3.683 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H](CC)CC(F)(F)F ZINC001597016905 986388036 /nfs/dbraw/zinc/38/80/36/986388036.db2.gz NJVAFDAVHXBNLL-JTQLQIEISA-N -1 0 348.321 3.636 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CCCCC[C@@H]1CC ZINC001597017413 986394090 /nfs/dbraw/zinc/39/40/90/986394090.db2.gz ZARZBQXHJWSQFN-AWEZNQCLSA-N -1 0 334.416 3.970 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NCc1ccc(C)cc1C ZINC001597021129 986408927 /nfs/dbraw/zinc/40/89/27/986408927.db2.gz TZDCPVWDWWIOPU-UHFFFAOYSA-N -1 0 342.395 3.722 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NC[C@H]1C[C@H]1C1CCCC1 ZINC001597021617 986412375 /nfs/dbraw/zinc/41/23/75/986412375.db2.gz KWKGUCFBOWSCEM-CABCVRRESA-N -1 0 346.427 3.731 20 0 EHADRM C[C@@H](C(=O)N[C@H](C(=O)[O-])C1CCCCC1)c1cc2ccccc2o1 ZINC001589373607 986423478 /nfs/dbraw/zinc/42/34/78/986423478.db2.gz FMSOYWUKRMVHSN-PXAZEXFGSA-N -1 0 329.396 3.686 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)NC(CC)(CC)CC(=O)[O-] ZINC001597038663 986487242 /nfs/dbraw/zinc/48/72/42/986487242.db2.gz VIEOPOOHEKXXGM-UHFFFAOYSA-N -1 0 327.808 3.502 20 0 EHADRM CCOc1cc(O)ccc1NC(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC001597044756 986505329 /nfs/dbraw/zinc/50/53/29/986505329.db2.gz PGHAAZXKNQHSLD-UHFFFAOYSA-N -1 0 344.367 3.750 20 0 EHADRM C[C@H](C(=O)NC1(CCC(=O)[O-])CCCCC1)c1c(F)cccc1F ZINC001589392548 986513213 /nfs/dbraw/zinc/51/32/13/986513213.db2.gz XDTFEIKWGUQNJS-LBPRGKRZSA-N -1 0 339.382 3.752 20 0 EHADRM C[C@H](C(=O)NCC1(CC(=O)[O-])CCCC1)c1cc2ccccc2o1 ZINC001589405869 986589429 /nfs/dbraw/zinc/58/94/29/986589429.db2.gz BAPGTACUOIMHNF-ZDUSSCGKSA-N -1 0 329.396 3.688 20 0 EHADRM C[C@@H]1CSCCN1C(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001594612133 986604736 /nfs/dbraw/zinc/60/47/36/986604736.db2.gz BFEWBCIDAROYIN-CYBMUJFWSA-N -1 0 341.432 3.629 20 0 EHADRM C[C@H]1CSCC[N@H+](Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC001594613569 986620879 /nfs/dbraw/zinc/62/08/79/986620879.db2.gz OHDSZAIBBVOBFV-GFCCVEGCSA-N -1 0 348.493 3.693 20 0 EHADRM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])s1)c1ccc(Cl)s1 ZINC001589414728 986638552 /nfs/dbraw/zinc/63/85/52/986638552.db2.gz LJLFHFCPNNNBAB-SSDOTTSWSA-N -1 0 329.830 3.581 20 0 EHADRM C[C@@H](C(=O)Nc1cc(C(=O)[O-])cnc1Cl)c1ccc(Cl)cc1 ZINC001589430824 986721439 /nfs/dbraw/zinc/72/14/39/986721439.db2.gz VNEBJOLNMSKRAT-MRVPVSSYSA-N -1 0 339.178 3.829 20 0 EHADRM C[C@H](C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O)c1ccccc1F ZINC001589430865 986722241 /nfs/dbraw/zinc/72/22/41/986722241.db2.gz WWQJAWFNBOANOP-QMMMGPOBSA-N -1 0 337.734 3.625 20 0 EHADRM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001594641246 986792885 /nfs/dbraw/zinc/79/28/85/986792885.db2.gz WLTUEGHVOHMTMV-PUXPGTEJSA-N -1 0 348.424 3.533 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)/C=C\CCc1ccccc1)c1ccccc1 ZINC001589454306 986876800 /nfs/dbraw/zinc/87/68/00/986876800.db2.gz NGESZARXKYGVAY-DVRFEWIASA-N -1 0 337.419 3.754 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)C[C@]1(C)CC1(Cl)Cl)c1ccccc1 ZINC001589459218 986907839 /nfs/dbraw/zinc/90/78/39/986907839.db2.gz XSAJXZUTDOSJLX-PSOPSSQASA-N -1 0 344.238 3.539 20 0 EHADRM CCOc1ccc2[nH]c(SC[C@@H]3CCCC[C@@H]3C(=O)[O-])nc2c1 ZINC001597145969 986909272 /nfs/dbraw/zinc/90/92/72/986909272.db2.gz QCFCXUOAOUCVJN-AAEUAGOBSA-N -1 0 334.441 3.945 20 0 EHADRM C[C@@H]1SCC[C@@H]1NC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001594664590 986953358 /nfs/dbraw/zinc/95/33/58/986953358.db2.gz UQSCHPAJPMNNRY-KWQFWETISA-N -1 0 336.438 3.615 20 0 EHADRM CCOc1ccccc1C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001597168509 986997222 /nfs/dbraw/zinc/99/72/22/986997222.db2.gz PWJCAEUMZMSBTR-UHFFFAOYSA-N -1 0 343.379 3.823 20 0 EHADRM CC/C(=C\C(=O)N[C@](C)(CC(=O)[O-])C1CC1)c1cccc(Cl)c1 ZINC001594690803 987083658 /nfs/dbraw/zinc/08/36/58/987083658.db2.gz JGDICARTFMSWMT-NCUBBLFSSA-N -1 0 335.831 3.893 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)C23CC(C(F)(F)F)(C2)C3)cc1 ZINC001589503591 987108847 /nfs/dbraw/zinc/10/88/47/987108847.db2.gz MDEQOGXYNNOFLB-WFJJYUMRSA-N -1 0 327.302 3.546 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NC2(C(F)F)CCCC2)cc1 ZINC001589510535 987136501 /nfs/dbraw/zinc/13/65/01/987136501.db2.gz VPAVOBPPTWHUFU-SNVBAGLBSA-N -1 0 326.343 3.574 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)Nc2ccc(O)c(Cl)c2)cc1 ZINC001589511981 987145036 /nfs/dbraw/zinc/14/50/36/987145036.db2.gz MHJZJXOUDDKLOU-VIFPVBQESA-N -1 0 334.759 3.878 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2nc(Cl)sc2Cl)cc1 ZINC001589520760 987163045 /nfs/dbraw/zinc/16/30/45/987163045.db2.gz CJHVDVKYDKIAEK-LURJTMIESA-N -1 0 345.207 3.890 20 0 EHADRM CCC(=O)c1ccc(C(=O)Oc2cc(Cl)ccc2C(=O)[O-])cc1 ZINC001594717495 987194459 /nfs/dbraw/zinc/19/44/59/987194459.db2.gz XWDWYRFCOSIJEK-UHFFFAOYSA-N -1 0 332.739 3.850 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cc(C=O)sc2Cl)c1 ZINC001589531435 987202704 /nfs/dbraw/zinc/20/27/04/987202704.db2.gz GFYSDZTYXCOFEJ-QMMMGPOBSA-N -1 0 337.784 3.654 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC001589533154 987223811 /nfs/dbraw/zinc/22/38/11/987223811.db2.gz YGKQSKCSICUZKX-JTQLQIEISA-N -1 0 348.196 3.890 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)CCc2cnc3ccccc3c2)c1 ZINC001589533343 987225294 /nfs/dbraw/zinc/22/52/94/987225294.db2.gz MJMMSQXGOQIXKH-CQSZACIVSA-N -1 0 348.402 3.994 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)Cc2coc3cc(F)ccc23)c1 ZINC001589533311 987225369 /nfs/dbraw/zinc/22/53/69/987225369.db2.gz LPVOKIMSRMPTAZ-NSHDSACASA-N -1 0 341.338 3.941 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)Nc2ccccc2OCCF)c1 ZINC001589533751 987228572 /nfs/dbraw/zinc/22/85/72/987228572.db2.gz SEXHDRBMBXVDLV-GFCCVEGCSA-N -1 0 346.358 3.867 20 0 EHADRM CC[C@H](C(=O)N[C@@](C)(CC)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001594728530 987234767 /nfs/dbraw/zinc/23/47/67/987234767.db2.gz GNAIDYXDYQLSTG-BBRMVZONSA-N -1 0 345.361 3.959 20 0 EHADRM C[C@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl)C(C)(F)F ZINC001589539394 987234869 /nfs/dbraw/zinc/23/48/69/987234869.db2.gz DJWLMYSNSYMNAB-LHLIQPBNSA-N -1 0 341.137 3.954 20 0 EHADRM CC[C@H](C(=O)N[C@@](C)(CC(=O)[O-])c1ccccn1)C1CCC(C)CC1 ZINC001594729488 987242860 /nfs/dbraw/zinc/24/28/60/987242860.db2.gz RZPKTULMDDWEFH-QMOQVAMLSA-N -1 0 346.471 3.740 20 0 EHADRM C[C@H](C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl)C(C)(F)F ZINC001589540934 987250123 /nfs/dbraw/zinc/25/01/23/987250123.db2.gz UUJAFJMBVMKDLN-LHLIQPBNSA-N -1 0 341.137 3.954 20 0 EHADRM CC[C@H](C(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1)c1ccc(OC)cc1 ZINC001594734207 987259762 /nfs/dbraw/zinc/25/97/62/987259762.db2.gz PSMJSTXDZQZBNS-OXJNMPFZSA-N -1 0 347.455 3.729 20 0 EHADRM CC(C(=O)OCc1coc(-c2ccc(C(=O)[O-])cc2)n1)=C1CCC1 ZINC001589546391 987268042 /nfs/dbraw/zinc/26/80/42/987268042.db2.gz HXWAWMPKVDIQQD-UHFFFAOYSA-N -1 0 327.336 3.583 20 0 EHADRM CC[C@H](C(=O)Nc1c(F)cccc1C(=O)[O-])c1ccc(OC)cc1 ZINC001594735642 987270234 /nfs/dbraw/zinc/27/02/34/987270234.db2.gz OMMDSFJYYRLHFF-ZDUSSCGKSA-N -1 0 331.343 3.665 20 0 EHADRM CCS[C@H]1CCCC[C@H]1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001597258674 987271253 /nfs/dbraw/zinc/27/12/53/987271253.db2.gz RJZSFUWLOMQSLF-KGLIPLIRSA-N -1 0 327.490 3.592 20 0 EHADRM CCSCC[C@H](C)N(C)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001597259335 987280223 /nfs/dbraw/zinc/28/02/23/987280223.db2.gz QSSSGOYVOCUWNS-JTQLQIEISA-N -1 0 328.409 3.519 20 0 EHADRM CCSCc1ccc(NC(=O)/C=C\c2cc(C(=O)[O-])co2)cc1 ZINC001597264903 987292944 /nfs/dbraw/zinc/29/29/44/987292944.db2.gz CEKBHNJAPODFKZ-FPLPWBNLSA-N -1 0 331.393 3.883 20 0 EHADRM CCSCc1ccccc1C(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC001597264908 987293118 /nfs/dbraw/zinc/29/31/18/987293118.db2.gz CMSBBCBTELBCOS-INIZCTEOSA-N -1 0 335.469 3.703 20 0 EHADRM C[C@H](C(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1)c1cccc(F)c1 ZINC001589553813 987294360 /nfs/dbraw/zinc/29/43/60/987294360.db2.gz SHQYDSDVZYRCPS-LBPRGKRZSA-N -1 0 330.355 3.897 20 0 EHADRM CCSCc1ccccc1C(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001597265328 987295794 /nfs/dbraw/zinc/29/57/94/987295794.db2.gz PLTKVHBVEYFTIB-UHFFFAOYSA-N -1 0 341.432 3.841 20 0 EHADRM CCSCc1ccc(NC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)cc1 ZINC001597265456 987297762 /nfs/dbraw/zinc/29/77/62/987297762.db2.gz XJBWLZLOBCUIDV-UHFFFAOYSA-N -1 0 332.425 3.835 20 0 EHADRM CCSCc1ccccc1C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC001597267557 987304458 /nfs/dbraw/zinc/30/44/58/987304458.db2.gz MFXNHWMRICVNFD-UHFFFAOYSA-N -1 0 348.395 3.925 20 0 EHADRM CCSCc1ccnc(NCc2cc(C(=O)[O-])c3n2CCCC3)c1 ZINC001597267781 987305478 /nfs/dbraw/zinc/30/54/78/987305478.db2.gz PFHJRZIELRDHPL-UHFFFAOYSA-N -1 0 345.468 3.783 20 0 EHADRM CCSc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC001597271147 987318105 /nfs/dbraw/zinc/31/81/05/987318105.db2.gz WPNRORRTGNGUNM-YTRUQHMWSA-N -1 0 345.420 3.980 20 0 EHADRM CC(C)(C(=O)NCc1ccoc1C(=O)[O-])c1cccc2ccccc21 ZINC001589571885 987342455 /nfs/dbraw/zinc/34/24/55/987342455.db2.gz FESXHXRUGLCDLI-UHFFFAOYSA-N -1 0 337.375 3.725 20 0 EHADRM CCSc1ccccc1CC(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC001597279515 987343361 /nfs/dbraw/zinc/34/33/61/987343361.db2.gz JVMMNRLBRRFURO-MRXNPFEDSA-N -1 0 349.496 3.881 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1OC)c1ccccc1 ZINC001597286325 987368301 /nfs/dbraw/zinc/36/83/01/987368301.db2.gz WLZYMGQSCUQADL-CQSZACIVSA-N -1 0 328.368 3.666 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)NCCCCC1CC1)c1ccccc1 ZINC001589595200 987413471 /nfs/dbraw/zinc/41/34/71/987413471.db2.gz VEIVDGSPTLULAD-INIZCTEOSA-N -1 0 332.444 3.718 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)Nc1cc(Cl)ccn1)c1ccccc1 ZINC001589598280 987418798 /nfs/dbraw/zinc/41/87/98/987418798.db2.gz IJDUWZSMJJUYEL-CQSZACIVSA-N -1 0 347.802 3.709 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)CCCc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001597315392 987439965 /nfs/dbraw/zinc/43/99/65/987439965.db2.gz RSEPICWBIAFEFU-NHYWBVRUSA-N -1 0 345.361 3.644 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)NC[C@H]2CCC=CCCC2)C1 ZINC001589610332 987457760 /nfs/dbraw/zinc/45/77/60/987457760.db2.gz QBULRDWZBITKEW-HOTGVXAUSA-N -1 0 336.476 3.655 20 0 EHADRM CC[C@H](NC(=O)/C=C/c1cccc(-c2ccc(Cl)cc2)c1)C(=O)[O-] ZINC001597330068 987465807 /nfs/dbraw/zinc/46/58/07/987465807.db2.gz GGQSFPPLVCSWRH-CEUCYRDJSA-N -1 0 343.810 4.000 20 0 EHADRM CCc1[nH]c(C(=O)N2CC[C@@H](C)c3ccccc32)c(C)c1C(=O)[O-] ZINC001597357969 987511645 /nfs/dbraw/zinc/51/16/45/987511645.db2.gz RGRXVPZVSOIWAZ-LLVKDONJSA-N -1 0 326.396 3.738 20 0 EHADRM CCc1[nH]c(C(=O)NC2(c3ccc(C)cc3)CCC2)c(C)c1C(=O)[O-] ZINC001597363107 987528904 /nfs/dbraw/zinc/52/89/04/987528904.db2.gz DFEMULKVRZKVTO-UHFFFAOYSA-N -1 0 340.423 3.701 20 0 EHADRM CCc1[nH]c(C(=O)NCc2ccc(C(C)(C)C)s2)c(C)c1C(=O)[O-] ZINC001597369340 987553905 /nfs/dbraw/zinc/55/39/05/987553905.db2.gz UCUDFGMTWCZRTB-UHFFFAOYSA-N -1 0 348.468 3.873 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NC[C@@H]2CCC[C@H]2C2CC2)cc1 ZINC001589637794 987557164 /nfs/dbraw/zinc/55/71/64/987557164.db2.gz LXYMTNVWGLVDEB-YOEHRIQHSA-N -1 0 344.455 3.997 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(NC(=O)[C@@H]2CCCC[C@H]2C2CC2)n1 ZINC001589648911 987583727 /nfs/dbraw/zinc/58/37/27/987583727.db2.gz FGPICDQSZHUKHW-NWDGAFQWSA-N -1 0 336.457 3.660 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(NC(=O)[C@@H](c2ccccc2)C2CC2)n1 ZINC001589649226 987586778 /nfs/dbraw/zinc/58/67/78/987586778.db2.gz MWFLQFJNGYBIEZ-AWEZNQCLSA-N -1 0 344.436 3.638 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)c2csc(C3CC3)n2)c1 ZINC001589650098 987596204 /nfs/dbraw/zinc/59/62/04/987596204.db2.gz DZSFGBRBBUDPPI-UHFFFAOYSA-N -1 0 331.393 3.602 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)C[C@@H]2CCC3(CCC3)CO2)c1 ZINC001589650667 987599202 /nfs/dbraw/zinc/59/92/02/987599202.db2.gz NDGYZSSASLSFJO-HNNXBMFYSA-N -1 0 346.423 3.694 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)CC2(C(F)(F)F)CC2)c1 ZINC001589650956 987599974 /nfs/dbraw/zinc/59/99/74/987599974.db2.gz QNLOZAUMQPRMKY-UHFFFAOYSA-N -1 0 330.302 3.687 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)Cc2ccc3cccnc3c2)c1 ZINC001589650947 987600032 /nfs/dbraw/zinc/60/00/32/987600032.db2.gz QIPLKDWTGMJPNS-UHFFFAOYSA-N -1 0 349.386 3.745 20 0 EHADRM CC(C)(C(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21)C(F)(F)F ZINC001589681143 987709916 /nfs/dbraw/zinc/70/99/16/987709916.db2.gz UKWXCHRFRMWDGF-GFCCVEGCSA-N -1 0 330.302 3.894 20 0 EHADRM CC(C)(C(=O)OCc1ccoc1C(=O)[O-])c1cccc(Cl)c1F ZINC001589681513 987713088 /nfs/dbraw/zinc/71/30/88/987713088.db2.gz VFNKVOVFSVXESW-UHFFFAOYSA-N -1 0 340.734 3.791 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)c1ccc2ccc(Cl)cc2n1 ZINC001589704265 987809672 /nfs/dbraw/zinc/80/96/72/987809672.db2.gz HELZHPPGDTWHRA-CQSZACIVSA-N -1 0 334.803 3.507 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2ccnc(C(F)(F)F)c2)s1 ZINC001597444889 987815033 /nfs/dbraw/zinc/81/50/33/987815033.db2.gz DHBGLNXKRKTULO-UHFFFAOYSA-N -1 0 344.314 3.675 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)CCc1ccc(N(C)C)cc1 ZINC001597452228 987846337 /nfs/dbraw/zinc/84/63/37/987846337.db2.gz NWOFWOGEYSTOAC-UHFFFAOYSA-N -1 0 340.423 3.585 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)NC[C@H](CC(=O)[O-])C1CC1)c1ccccc1 ZINC001589715367 987852908 /nfs/dbraw/zinc/85/29/08/987852908.db2.gz BEGKKTZBSGBBQM-RDJZCZTQSA-N -1 0 332.444 3.574 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)N1CCC(CC(=O)[O-])CC1)c1ccccc1 ZINC001589716122 987856703 /nfs/dbraw/zinc/85/67/03/987856703.db2.gz JZAFMZRBTRPWMG-KRWDZBQOSA-N -1 0 332.444 3.670 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1CCCO[C@H]1CC(C)C ZINC001597456889 987866242 /nfs/dbraw/zinc/86/62/42/987866242.db2.gz DAJNACAMIAUBCX-SJORKVTESA-N -1 0 348.443 3.662 20 0 EHADRM CC(C)(C)C1CCC(=CC(=O)N[C@H](C(=O)[O-])c2ccc(O)cc2)CC1 ZINC001589726128 987904707 /nfs/dbraw/zinc/90/47/07/987904707.db2.gz GJIFCRRGTVFLSC-PKHIMPSTSA-N -1 0 345.439 3.797 20 0 EHADRM CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001589728179 987927999 /nfs/dbraw/zinc/92/79/99/987927999.db2.gz FVAWBFDDGYAWAB-DLBZAZTESA-N -1 0 331.456 3.896 20 0 EHADRM CC(C)(C)[C@@H]1CCC[C@](NC(=O)CCC(=O)[O-])(C(F)(F)F)CC1 ZINC001589728512 987934061 /nfs/dbraw/zinc/93/40/61/987934061.db2.gz NABJGJFEHDGZOX-IAQYHMDHSA-N -1 0 337.382 3.895 20 0 EHADRM CC(C)(C)[C@@H]1CCc2sc(C(=O)N[C@H]3CCC[C@H]3C(=O)[O-])cc2C1 ZINC001589734189 987978203 /nfs/dbraw/zinc/97/82/03/987978203.db2.gz DKDXLZNDIQUTDU-MCIONIFRSA-N -1 0 349.496 3.882 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N[C@H]3CC[C@@H](CC(=O)[O-])C3)o2)cc1 ZINC001597491841 988022143 /nfs/dbraw/zinc/02/21/43/988022143.db2.gz FYFGIKWVAHKJKS-ZBFHGGJFSA-N -1 0 341.407 3.882 20 0 EHADRM CCc1ccc(-c2cc(C(=O)Nc3ccsc3C(=O)[O-])no2)cc1 ZINC001597492813 988032320 /nfs/dbraw/zinc/03/23/20/988032320.db2.gz WUYSLCNOGAADFK-UHFFFAOYSA-N -1 0 342.376 3.916 20 0 EHADRM CSCC1(CCNC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CC1 ZINC001599792468 988034256 /nfs/dbraw/zinc/03/42/56/988034256.db2.gz PDWDITCSMACHRS-LSDHHAIUSA-N -1 0 348.468 3.530 20 0 EHADRM CCc1ccc(-c2csc(NC(=O)C[C@H](C)CC(=O)[O-])n2)s1 ZINC001597492912 988034974 /nfs/dbraw/zinc/03/49/74/988034974.db2.gz YKEZIKPUUQQVGM-VIFPVBQESA-N -1 0 338.454 3.873 20 0 EHADRM CCc1ccc(C(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)cc1 ZINC001597502911 988070060 /nfs/dbraw/zinc/07/00/60/988070060.db2.gz LVVHUUQOYSGRCF-UHFFFAOYSA-N -1 0 341.392 3.651 20 0 EHADRM CCc1ccc(C(C)(C)C(=O)Nc2nc(C)c(C(=O)[O-])s2)cc1 ZINC001597508793 988087922 /nfs/dbraw/zinc/08/79/22/988087922.db2.gz UVEQKJAWDQGXQQ-UHFFFAOYSA-N -1 0 332.425 3.628 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N(Cc2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC001597511946 988095005 /nfs/dbraw/zinc/09/50/05/988095005.db2.gz KWSLFGVUBLAAPF-JKSUJKDBSA-N -1 0 339.435 3.854 20 0 EHADRM CC(C)(C)C[C@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])cn2)C1(C)C ZINC001589764695 988106523 /nfs/dbraw/zinc/10/65/23/988106523.db2.gz SLVVCGHHUAEWRJ-CYBMUJFWSA-N -1 0 333.432 3.848 20 0 EHADRM CCc1ccc([C@H](NC(=O)c2cc(C)c(C(=O)[O-])o2)C(C)C)cc1 ZINC001597514189 988118486 /nfs/dbraw/zinc/11/84/86/988118486.db2.gz JJGVNFCHCWKSCQ-MRXNPFEDSA-N -1 0 329.396 3.976 20 0 EHADRM CCc1ccc([C@H](NC(=O)[C@@H](CC)C(=O)[O-])c2cccc(F)c2)cc1 ZINC001597514950 988125103 /nfs/dbraw/zinc/12/51/03/988125103.db2.gz ZKMGZKNUOCVGLO-MSOLQXFVSA-N -1 0 343.398 3.705 20 0 EHADRM CC(C)(C)CCCCC(=O)Nc1cccc(-n2cc(C(=O)[O-])nn2)c1 ZINC001589772063 988128974 /nfs/dbraw/zinc/12/89/74/988128974.db2.gz YEQIEZSESVSYLF-UHFFFAOYSA-N -1 0 344.415 3.511 20 0 EHADRM CSCC[C@@H](OC(=O)c1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC001599798755 988140642 /nfs/dbraw/zinc/14/06/42/988140642.db2.gz VZXAVLRKSGHLMP-MRXNPFEDSA-N -1 0 346.404 3.842 20 0 EHADRM CCc1ccc(CCNC(=O)Nc2ccc(C(=O)[O-])cc2C)cc1 ZINC001597524722 988163389 /nfs/dbraw/zinc/16/33/89/988163389.db2.gz IPUQGYOOCVQHBG-UHFFFAOYSA-N -1 0 326.396 3.620 20 0 EHADRM CCc1ccc(F)cc1C(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC001597530459 988184096 /nfs/dbraw/zinc/18/40/96/988184096.db2.gz BDLQXSXXKJIQLX-UHFFFAOYSA-N -1 0 333.334 3.649 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)c1cc(C(=O)[O-])ccn1 ZINC001597531134 988190556 /nfs/dbraw/zinc/19/05/56/988190556.db2.gz XYFDUQHWVVBPGR-UHFFFAOYSA-N -1 0 332.787 3.810 20 0 EHADRM CS[C@H]1C[C@H](NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])C1 ZINC001599803612 988218715 /nfs/dbraw/zinc/21/87/15/988218715.db2.gz ORYQSBHOIYLXLX-JOCQHMNTSA-N -1 0 341.432 3.676 20 0 EHADRM CSCc1ccccc1NC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001599804221 988227892 /nfs/dbraw/zinc/22/78/92/988227892.db2.gz HRNNKFUSTIYAEQ-UHFFFAOYSA-N -1 0 336.438 3.631 20 0 EHADRM CCc1ccc(NC(=O)CCCc2ccc(OC)cc2)c(C(=O)[O-])c1 ZINC001597543123 988237922 /nfs/dbraw/zinc/23/79/22/988237922.db2.gz UDKFRBLLMNBBTL-UHFFFAOYSA-N -1 0 341.407 3.917 20 0 EHADRM CSCc1cccnc1C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC001599805271 988245729 /nfs/dbraw/zinc/24/57/29/988245729.db2.gz VPLCZSXUUHFELJ-UHFFFAOYSA-N -1 0 330.409 3.512 20 0 EHADRM CCc1ccc(NC(=O)Cc2c[nH]c3cc(C)ccc23)c(C(=O)[O-])c1 ZINC001597545487 988247635 /nfs/dbraw/zinc/24/76/35/988247635.db2.gz WITABKVHWNJQPS-UHFFFAOYSA-N -1 0 336.391 3.918 20 0 EHADRM CCc1ccc(NC(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1OC ZINC001597546955 988254810 /nfs/dbraw/zinc/25/48/10/988254810.db2.gz NNFLROYGNDBRAP-UHFFFAOYSA-N -1 0 328.368 3.908 20 0 EHADRM CSc1cc(C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])ccc1F ZINC001599806708 988267948 /nfs/dbraw/zinc/26/79/48/988267948.db2.gz RJNSBXMFKGYQAE-ZDUSSCGKSA-N -1 0 339.432 3.559 20 0 EHADRM CSc1cc(C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)ccc1F ZINC001599806918 988270728 /nfs/dbraw/zinc/27/07/28/988270728.db2.gz ZFUBTTDHFMBPLM-ZDUSSCGKSA-N -1 0 339.432 3.559 20 0 EHADRM CSc1cc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)ccc1F ZINC001599807132 988274041 /nfs/dbraw/zinc/27/40/41/988274041.db2.gz HSNSNMLTXMXYJU-UHFFFAOYSA-N -1 0 341.310 3.776 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001599807325 988276942 /nfs/dbraw/zinc/27/69/42/988276942.db2.gz MMLNPWRUFZFDAP-HNNXBMFYSA-N -1 0 342.848 3.781 20 0 EHADRM CSc1cc(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])ccc1F ZINC001599807892 988285861 /nfs/dbraw/zinc/28/58/61/988285861.db2.gz ROUSTCFXGJZKHP-UHFFFAOYSA-N -1 0 341.448 3.757 20 0 EHADRM CSc1cc(C(=O)N2CCCc3c(C(=O)[O-])cccc32)c(C)o1 ZINC001599808205 988290465 /nfs/dbraw/zinc/29/04/65/988290465.db2.gz ZKLNMYJAOUUWMM-UHFFFAOYSA-N -1 0 331.393 3.601 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC001599808474 988294308 /nfs/dbraw/zinc/29/43/08/988294308.db2.gz HJEJCNBWVAFUCE-JTQLQIEISA-N -1 0 344.864 3.930 20 0 EHADRM CSc1cc(C)c(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC001599808597 988296373 /nfs/dbraw/zinc/29/63/73/988296373.db2.gz MZWSFSRHMQOVIZ-UHFFFAOYSA-N -1 0 325.773 3.914 20 0 EHADRM CCc1ccc2c(c1)CN(C(=O)Nc1cc(C(=O)[O-])cs1)CC2 ZINC001597569269 988333811 /nfs/dbraw/zinc/33/38/11/988333811.db2.gz PZRABEPYSQYKPA-UHFFFAOYSA-N -1 0 330.409 3.599 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)CSc1cccc(OC)c1 ZINC001597571331 988350304 /nfs/dbraw/zinc/35/03/04/988350304.db2.gz CIJNPJWGJMRCOK-UHFFFAOYSA-N -1 0 345.420 3.687 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)CO[C@H]1CCCC[C@H]1CC ZINC001597572925 988355531 /nfs/dbraw/zinc/35/55/31/988355531.db2.gz OXSWUAWQKYHXIC-CJNGLKHVSA-N -1 0 333.428 3.871 20 0 EHADRM CSc1ccc(CCCC(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)cc1 ZINC001599812985 988371099 /nfs/dbraw/zinc/37/10/99/988371099.db2.gz RFTSTIAQSUXEHD-QUWSVYMGSA-N -1 0 349.496 3.881 20 0 EHADRM CCc1cccc(C)c1NC(=O)CNc1c(F)cc(C(=O)[O-])cc1F ZINC001597578451 988373301 /nfs/dbraw/zinc/37/33/01/988373301.db2.gz FRJXFKRXQNOKON-UHFFFAOYSA-N -1 0 348.349 3.584 20 0 EHADRM CSc1ccc(CCC(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC001599813282 988376150 /nfs/dbraw/zinc/37/61/50/988376150.db2.gz XIQTXNZDIGTZLH-UHFFFAOYSA-N -1 0 329.421 3.607 20 0 EHADRM CSc1ccc(CCC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001599813339 988376604 /nfs/dbraw/zinc/37/66/04/988376604.db2.gz YRIQYVJCPAOCDY-UHFFFAOYSA-N -1 0 333.384 3.817 20 0 EHADRM CCc1cccc(CC)c1NC(=S)NC[C@H](CC(=O)[O-])C1CC1 ZINC001597585163 988393558 /nfs/dbraw/zinc/39/35/58/988393558.db2.gz LADYJQAWUXNBRT-HNNXBMFYSA-N -1 0 334.485 3.599 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cccc2c1O[C@@H](C)C2 ZINC001597590597 988412606 /nfs/dbraw/zinc/41/26/06/988412606.db2.gz ACCQOHJBXRXKKB-NSHDSACASA-N -1 0 325.364 3.523 20 0 EHADRM CSc1ccc(NC(=O)N2CCC[C@@](C)(C(=O)[O-])C2)cc1Cl ZINC001599816514 988435004 /nfs/dbraw/zinc/43/50/04/988435004.db2.gz GXEUYDGEWDRULR-OAHLLOKOSA-N -1 0 342.848 3.781 20 0 EHADRM CSc1ccc(NC(=O)N(C)[C@H](C)c2ccncc2)cc1C(=O)[O-] ZINC001599816618 988436907 /nfs/dbraw/zinc/43/69/07/988436907.db2.gz JJHXBPQIIIMHFA-LLVKDONJSA-N -1 0 345.424 3.727 20 0 EHADRM CSc1ccc(NC(=O)c2cccc(OC(C)C)n2)cc1C(=O)[O-] ZINC001599816890 988441873 /nfs/dbraw/zinc/44/18/73/988441873.db2.gz DPQXMURJICAACH-UHFFFAOYSA-N -1 0 346.408 3.541 20 0 EHADRM CCc1cccc2c1N(CCOc1ccc(/C=C/C(=O)[O-])cc1)CC2 ZINC001597603310 988463634 /nfs/dbraw/zinc/46/36/34/988463634.db2.gz UKVJFMVCRZJIDA-DHZHZOJOSA-N -1 0 337.419 3.788 20 0 EHADRM CCc1cccc2c1OCC[C@H]2NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001597603346 988465353 /nfs/dbraw/zinc/46/53/53/988465353.db2.gz WHNWMWSELXUENY-MRXNPFEDSA-N -1 0 345.439 3.614 20 0 EHADRM CCc1cccc2cc(CNC(C)(C)c3cc(C(=O)[O-])on3)oc21 ZINC001597603917 988477406 /nfs/dbraw/zinc/47/74/06/988477406.db2.gz ZIUUCNOYBFOKOL-UHFFFAOYSA-N -1 0 328.368 3.706 20 0 EHADRM CCc1ccccc1C(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)c2ccccc21 ZINC001597604613 988482772 /nfs/dbraw/zinc/48/27/72/988482772.db2.gz RFOXCPYQHDBCTN-QKKBWIMNSA-N -1 0 337.419 3.856 20 0 EHADRM CSc1ccc(O[C@@H](C)c2nc(-c3cc(C(=O)[O-])co3)no2)cc1 ZINC001599820044 988496468 /nfs/dbraw/zinc/49/64/68/988496468.db2.gz GZMPVXOVHINKDG-VIFPVBQESA-N -1 0 346.364 3.890 20 0 EHADRM CSc1ccc([C@H](C)NC(=O)c2cccc(CC(=O)[O-])c2)cc1 ZINC001599821246 988516826 /nfs/dbraw/zinc/51/68/26/988516826.db2.gz QZDAQTIDIZEUBT-LBPRGKRZSA-N -1 0 329.421 3.527 20 0 EHADRM CSc1ccccc1CC(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC001599823352 988554262 /nfs/dbraw/zinc/55/42/62/988554262.db2.gz PBTYJLVNBFUZDX-SFHVURJKSA-N -1 0 343.448 3.510 20 0 EHADRM CSc1ccccc1N(C)C(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001599824090 988566735 /nfs/dbraw/zinc/56/67/35/988566735.db2.gz QJXLXFTXYCRCAT-IFXJQAMLSA-N -1 0 341.432 3.630 20 0 EHADRM CSc1ccccc1[C@H](C)NC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001599826597 988607416 /nfs/dbraw/zinc/60/74/16/988607416.db2.gz VLTZICMWRRAPQB-TVRMLOFPSA-N -1 0 331.393 3.590 20 0 EHADRM CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000073037062 1015405861 /nfs/dbraw/zinc/40/58/61/1015405861.db2.gz GIWMJVLPXPEIDX-CQSZACIVSA-N -1 0 344.440 3.532 20 0 EHADRM CCc1nc(C(C)C)ccc1COC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001597652897 988701258 /nfs/dbraw/zinc/70/12/58/988701258.db2.gz VPOHHEPAYMBLKL-JXMROGBWSA-N -1 0 343.379 3.815 20 0 EHADRM C[C@@H](CC(=O)[O-])OC(=O)c1cc(Br)c2ccccc2c1 ZINC001599834540 988722224 /nfs/dbraw/zinc/72/22/24/988722224.db2.gz CUVLFDOJKURIPV-VIFPVBQESA-N -1 0 337.169 3.622 20 0 EHADRM CCc1nc(C)cc(N[C@@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])n1 ZINC001597661761 988733075 /nfs/dbraw/zinc/73/30/75/988733075.db2.gz UZFXKSBBLUDATL-WBVHZDCISA-N -1 0 339.439 3.723 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])n1C)c1cc(Cl)ccc1Cl ZINC001599840722 988823738 /nfs/dbraw/zinc/82/37/38/988823738.db2.gz PJUNFKOTBJYQSU-MRVPVSSYSA-N -1 0 341.194 3.521 20 0 EHADRM CCc1nc2sccc2c(Nc2ccc(OCCC(=O)[O-])cc2)n1 ZINC001597685699 988842396 /nfs/dbraw/zinc/84/23/96/988842396.db2.gz YBFJBHWDTAQPSH-UHFFFAOYSA-N -1 0 343.408 3.851 20 0 EHADRM C[C@@H](OC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1cccc(Cl)c1F ZINC001599846347 988938971 /nfs/dbraw/zinc/93/89/71/988938971.db2.gz JHIZPHUHFDROND-OUAUKWLOSA-N -1 0 328.767 3.974 20 0 EHADRM CCc1nnc(SCCOc2ccc(C(=O)[O-])cc2Cl)s1 ZINC001597735420 989076787 /nfs/dbraw/zinc/07/67/87/989076787.db2.gz CIRPWPIXNRNKOL-UHFFFAOYSA-N -1 0 344.845 3.623 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CSc1nnc(C(F)(F)F)s1 ZINC001597772128 989235225 /nfs/dbraw/zinc/23/52/25/989235225.db2.gz IOODVQKGSVEEJG-UHFFFAOYSA-N -1 0 338.332 3.703 20 0 EHADRM CCc1oc2ccccc2c1CC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC001597807782 989421435 /nfs/dbraw/zinc/42/14/35/989421435.db2.gz KOYGUCOPHCRGHO-FOIQADDNSA-N -1 0 343.423 3.687 20 0 EHADRM CCc1oc2ccccc2c1C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001597808081 989423906 /nfs/dbraw/zinc/42/39/06/989423906.db2.gz SGOJPMGINGHYHE-UHFFFAOYSA-N -1 0 349.346 3.822 20 0 EHADRM CCc1sc(C(=O)Oc2cc(/C=C/C(=O)[O-])ccc2OC)cc1C ZINC001597821482 989465196 /nfs/dbraw/zinc/46/51/96/989465196.db2.gz ZDMCIDYIEWHNPU-SOFGYWHQSA-N -1 0 346.404 3.945 20 0 EHADRM CCn1c(C(=O)O[C@@H](C)c2cc(C(=O)[O-])co2)cc2ccccc21 ZINC001597841350 989540867 /nfs/dbraw/zinc/54/08/67/989540867.db2.gz ZHJPLRYJIMZBHG-NSHDSACASA-N -1 0 327.336 3.870 20 0 EHADRM CCn1c(C)nnc1S[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001597843914 989556027 /nfs/dbraw/zinc/55/60/27/989556027.db2.gz MVTDZXPFAKKMKB-NSHDSACASA-N -1 0 345.346 3.543 20 0 EHADRM CCn1cc(C(=O)Nc2ccc(C(=O)[O-])cc2OC)c2ccccc21 ZINC001597880739 989703776 /nfs/dbraw/zinc/70/37/76/989703776.db2.gz ZJGBMIAXHUODRH-UHFFFAOYSA-N -1 0 338.363 3.620 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(C(=O)[O-])o1 ZINC001590319130 989751848 /nfs/dbraw/zinc/75/18/48/989751848.db2.gz SFFKBDRWFPJEAY-UHFFFAOYSA-N -1 0 346.339 3.577 20 0 EHADRM CCn1cc(Cl)c(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)n1 ZINC001597894010 989751949 /nfs/dbraw/zinc/75/19/49/989751949.db2.gz QQXSSDPSNPWSKF-UHFFFAOYSA-N -1 0 343.770 3.660 20 0 EHADRM CCn1ccnc1S[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC001597916968 989841350 /nfs/dbraw/zinc/84/13/50/989841350.db2.gz WAPPLDMDIQVAFX-LLVKDONJSA-N -1 0 341.230 3.584 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)c2ccc(OC(C)(C)C)cc2)(C(=O)[O-])CC1 ZINC001590409665 989948633 /nfs/dbraw/zinc/94/86/33/989948633.db2.gz MZNVIRIPRRKQKU-HJGJAMNPSA-N -1 0 333.428 3.627 20 0 EHADRM CC(C)(C)Oc1cccc(CNc2cc(F)c(C(=O)[O-])c(F)c2)n1 ZINC001590419540 989959828 /nfs/dbraw/zinc/95/98/28/989959828.db2.gz BNEIANWKRZYQOB-UHFFFAOYSA-N -1 0 336.338 3.847 20 0 EHADRM CC(C)(C)c1ccc(CC(=O)NC2(CC(=O)[O-])CCCCC2)cc1 ZINC001590479723 990055400 /nfs/dbraw/zinc/05/54/00/990055400.db2.gz IUOSZUXDGXEPAU-UHFFFAOYSA-N -1 0 331.456 3.820 20 0 EHADRM CC(C)(C)c1ccc(CCCCC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])cc1 ZINC001590485402 990083428 /nfs/dbraw/zinc/08/34/28/990083428.db2.gz VBOHSUZIPKAAFH-IRXDYDNUSA-N -1 0 349.446 3.721 20 0 EHADRM CN(C(=O)C(F)(F)c1cccc(Cl)c1)C1(C(=O)[O-])CCCCC1 ZINC001597991160 990090199 /nfs/dbraw/zinc/09/01/99/990090199.db2.gz CDZMGSGANADSMX-UHFFFAOYSA-N -1 0 345.773 3.678 20 0 EHADRM CC(C)(C)c1cccc(C(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)c1 ZINC001590498981 990111053 /nfs/dbraw/zinc/11/10/53/990111053.db2.gz NVCWCRCKMDKEPT-UHFFFAOYSA-N -1 0 344.436 3.948 20 0 EHADRM CN(C(=O)[C@@H]1CC1(C)C)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001597997826 990116265 /nfs/dbraw/zinc/11/62/65/990116265.db2.gz SDTFZMGLVKHDNE-CABZTGNLSA-N -1 0 330.211 3.624 20 0 EHADRM CC(C)(C)c1cnc(NC(=O)N[C@H](CC(=O)[O-])C2CCCC2)s1 ZINC001590515868 990131793 /nfs/dbraw/zinc/13/17/93/990131793.db2.gz LXOVAIKEUACKMH-LLVKDONJSA-N -1 0 339.461 3.596 20 0 EHADRM CC(C)(C)c1csc(C(=Cc2cccc3[nH]c(=O)oc32)C(=O)[O-])n1 ZINC001590526606 990136717 /nfs/dbraw/zinc/13/67/17/990136717.db2.gz FKZXVZATSWOFLH-YFHOEESVSA-N -1 0 344.392 3.913 20 0 EHADRM CC(C)(C)c1csc(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)n1 ZINC001590526688 990137780 /nfs/dbraw/zinc/13/77/80/990137780.db2.gz IHYQKXAWJOTXSP-UHFFFAOYSA-N -1 0 329.381 3.856 20 0 EHADRM CC(C)(C)c1coc(CN[C@@H](C(=O)[O-])c2c(F)cccc2Cl)n1 ZINC001590527069 990139648 /nfs/dbraw/zinc/13/96/48/990139648.db2.gz QAOKYRKPCKMCJK-CQSZACIVSA-N -1 0 340.782 3.680 20 0 EHADRM CC(C)(C)c1csc(C(=Cc2ccc3[nH]cnc3c2)C(=O)[O-])n1 ZINC001590527055 990139716 /nfs/dbraw/zinc/13/97/16/990139716.db2.gz PLBZYSDSCZQWFP-WDZFZDKYSA-N -1 0 327.409 3.942 20 0 EHADRM CN(C(=O)CC1(C)CCCC1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598008717 990172977 /nfs/dbraw/zinc/17/29/77/990172977.db2.gz ZCEAPHXNCBABFN-OAHLLOKOSA-N -1 0 343.345 3.658 20 0 EHADRM CN(C(=O)Cc1cccc(C(=O)[O-])c1)c1cc(Cl)cc(Cl)c1 ZINC001598036440 990262721 /nfs/dbraw/zinc/26/27/21/990262721.db2.gz ISUBYBXPLPYLHL-UHFFFAOYSA-N -1 0 338.190 3.897 20 0 EHADRM CC(C)(CC(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1)CC(F)(F)F ZINC001590620848 990298364 /nfs/dbraw/zinc/29/83/64/990298364.db2.gz JEVIWGMIZOOBBS-HNNXBMFYSA-N -1 0 337.382 3.895 20 0 EHADRM CC(C)(CC(=O)N[C@@H](C(=O)[O-])c1cccc(O)c1)C1CCCCC1 ZINC001590621094 990300233 /nfs/dbraw/zinc/30/02/33/990300233.db2.gz SGBVISALRRHJLR-QGZVFWFLSA-N -1 0 333.428 3.631 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCOc2cc(Cl)c(Cl)cc21 ZINC001590628017 990317937 /nfs/dbraw/zinc/31/79/37/990317937.db2.gz XDDRQGFAVGZHLP-UHFFFAOYSA-N -1 0 346.210 3.610 20 0 EHADRM CN(C(=O)Nc1ccccc1SC(F)(F)F)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598061699 990334778 /nfs/dbraw/zinc/33/47/78/990334778.db2.gz MOTHJCQQXUUCDQ-DTORHVGOSA-N -1 0 348.346 3.625 20 0 EHADRM CN(C(=O)c1cc2c(cccc2C2CC2)[nH]1)[C@H](C(=O)[O-])c1ccccc1 ZINC001598078537 990386996 /nfs/dbraw/zinc/38/69/96/990386996.db2.gz CDGWVFSQRJJVEO-IBGZPJMESA-N -1 0 348.402 3.943 20 0 EHADRM CN(C(=O)c1ccc(Oc2ccccc2)cn1)c1ccccc1C(=O)[O-] ZINC001598088115 990422488 /nfs/dbraw/zinc/42/24/88/990422488.db2.gz ZOSLTGPELMCLLM-UHFFFAOYSA-N -1 0 348.358 3.849 20 0 EHADRM CC(C)(C)c1ccc(C(F)(F)C(=O)NCC(C)(C)CC(=O)[O-])cc1 ZINC001590706465 990452414 /nfs/dbraw/zinc/45/24/14/990452414.db2.gz RBBAQWUZTMSRBH-UHFFFAOYSA-N -1 0 341.398 3.693 20 0 EHADRM CC(C)(CNC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)CC(=O)[O-] ZINC001590708367 990458787 /nfs/dbraw/zinc/45/87/87/990458787.db2.gz XNNKUKUMGBOFRS-QWHCGFSZSA-N -1 0 344.238 3.714 20 0 EHADRM CN(C(=O)c1cscc1C(F)(F)F)c1ccccc1C(=O)[O-] ZINC001598103076 990467885 /nfs/dbraw/zinc/46/78/85/990467885.db2.gz HNCPVTBAIAVSMQ-UHFFFAOYSA-N -1 0 329.299 3.742 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(CCC(F)(F)F)cc1)CC(=O)[O-] ZINC001590734441 990529628 /nfs/dbraw/zinc/52/96/28/990529628.db2.gz ULSVXTNLDHDGNR-UHFFFAOYSA-N -1 0 346.349 3.804 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001590821794 990658795 /nfs/dbraw/zinc/65/87/95/990658795.db2.gz AZTGOMWBCMIPLW-UHFFFAOYSA-N -1 0 332.787 3.641 20 0 EHADRM CC(C)(NC(=O)Nc1cccc2ccsc21)c1cc(C(=O)[O-])on1 ZINC001590855919 990743670 /nfs/dbraw/zinc/74/36/70/990743670.db2.gz QCFJGCSGXJKVSE-UHFFFAOYSA-N -1 0 345.380 3.644 20 0 EHADRM CC(C)(NC(=O)c1ccc(C2CCCC2)cc1)c1cc(C(=O)[O-])on1 ZINC001590861400 990752673 /nfs/dbraw/zinc/75/26/73/990752673.db2.gz BSFYESWGNZAYIR-UHFFFAOYSA-N -1 0 342.395 3.696 20 0 EHADRM CC(C)(NCc1c(Cl)cccc1Cl)c1nocc1C(=O)[O-] ZINC001590871451 990778155 /nfs/dbraw/zinc/77/81/55/990778155.db2.gz WAWQDTOFYWDUCV-UHFFFAOYSA-N -1 0 329.183 3.705 20 0 EHADRM CC(C)(Oc1ccc(Cl)cc1)C(=O)Oc1cccc(C(=O)[O-])c1 ZINC001590904324 990864989 /nfs/dbraw/zinc/86/49/89/990864989.db2.gz BTUSWRQQECWLTC-UHFFFAOYSA-N -1 0 334.755 3.801 20 0 EHADRM CC(C)=CCC[C@@H](C)CC(=O)Nc1c2cccnc2n(C)c1C(=O)[O-] ZINC001590922278 990919043 /nfs/dbraw/zinc/91/90/43/990919043.db2.gz WRIMJVKDDKAZQT-CYBMUJFWSA-N -1 0 343.427 3.983 20 0 EHADRM COc1cccc(SCC(=O)Nc2ccc(F)c(C(=O)[O-])c2C)c1 ZINC001599684447 990964913 /nfs/dbraw/zinc/96/49/13/990964913.db2.gz ZOZYUIIPAUDTEC-UHFFFAOYSA-N -1 0 349.383 3.572 20 0 EHADRM CC(C)C(=O)c1ccc(NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC001590949077 991005103 /nfs/dbraw/zinc/00/51/03/991005103.db2.gz JVZYQMHRPGCYIY-AWEZNQCLSA-N -1 0 346.427 3.634 20 0 EHADRM CC(C)C(=O)c1ccc([C@H](C)C(=O)O[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC001590949384 991007802 /nfs/dbraw/zinc/00/78/02/991007802.db2.gz QEWMTGQPONILPK-RRQGHBQHSA-N -1 0 346.423 3.815 20 0 EHADRM COc1ccccc1-c1nnc(SC[C@H]2CCCC[C@@H]2C(=O)[O-])o1 ZINC001599694959 991134192 /nfs/dbraw/zinc/13/41/92/991134192.db2.gz SJIGBTFAQVQOMU-NEPJUHHUSA-N -1 0 348.424 3.728 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)Oc1cc(C(=O)[O-])cc(F)c1C ZINC001599696632 991158154 /nfs/dbraw/zinc/15/81/54/991158154.db2.gz HLAZABXZGPKQRR-UHFFFAOYSA-N -1 0 346.354 3.724 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001590993051 991210367 /nfs/dbraw/zinc/21/03/67/991210367.db2.gz FOZUGSCEPLIEDS-KRWDZBQOSA-N -1 0 344.386 3.913 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC001598298640 991235281 /nfs/dbraw/zinc/23/52/81/991235281.db2.gz PBNHVBSYLUSQIH-UMVBOHGHSA-N -1 0 345.443 3.541 20 0 EHADRM COc1ccccc1C1(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CCC1 ZINC001599702764 991245529 /nfs/dbraw/zinc/24/55/29/991245529.db2.gz QOHXKTWRBKELRL-UHFFFAOYSA-N -1 0 343.354 3.593 20 0 EHADRM COc1ccccc1CC(=O)Nc1c(C)ccc(Cl)c1C(=O)[O-] ZINC001599703841 991262860 /nfs/dbraw/zinc/26/28/60/991262860.db2.gz HJWAEQAYAWFFFQ-UHFFFAOYSA-N -1 0 333.771 3.536 20 0 EHADRM COc1ccccc1C1(c2noc(-c3cccc(C(=O)[O-])c3)n2)CC1 ZINC001599703905 991263791 /nfs/dbraw/zinc/26/37/91/991263791.db2.gz LVQNMWGNXWVZNA-UHFFFAOYSA-N -1 0 336.347 3.523 20 0 EHADRM COc1ccccc1C[C@@H](CNC(=O)C[C@@H](C)CC(C)(C)C)C(=O)[O-] ZINC001599707166 991310700 /nfs/dbraw/zinc/31/07/00/991310700.db2.gz SSTIQMGEVBZTRP-ZBFHGGJFSA-N -1 0 349.471 3.517 20 0 EHADRM CN(C)c1ccc(OC(=O)C=C2CCC(C)(C)CC2)cc1C(=O)[O-] ZINC001598329503 991363527 /nfs/dbraw/zinc/36/35/27/991363527.db2.gz UDKVOBLNGNHTGF-UHFFFAOYSA-N -1 0 331.412 3.883 20 0 EHADRM COc1ccccc1COC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC001599713203 991406658 /nfs/dbraw/zinc/40/66/58/991406658.db2.gz SWQGMGAVBGQJGS-LBPRGKRZSA-N -1 0 346.404 3.617 20 0 EHADRM CC(C)[C@H](OC(=O)c1csc(-c2ccc(Cl)s2)n1)C(=O)[O-] ZINC001591045966 991431076 /nfs/dbraw/zinc/43/10/76/991431076.db2.gz WUKAEPSUOURPDU-JTQLQIEISA-N -1 0 345.829 3.791 20 0 EHADRM CC(C)[C@@H](SC(C)(C)C(C)C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001591052445 991459102 /nfs/dbraw/zinc/45/91/02/991459102.db2.gz RKFXUCBCLTZRGE-CQSZACIVSA-N -1 0 329.506 3.502 20 0 EHADRM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001591061850 991505262 /nfs/dbraw/zinc/50/52/62/991505262.db2.gz PFSNWBSSWHAJDN-BONVTDFDSA-N -1 0 340.217 3.768 20 0 EHADRM CC(C)C1(C)CCN(C(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)CC1 ZINC001591062216 991507080 /nfs/dbraw/zinc/50/70/80/991507080.db2.gz UGWPFSRNRWNSCC-OXJNMPFZSA-N -1 0 329.440 3.530 20 0 EHADRM COc1ccccc1[C@H](C)OC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001599719493 991511928 /nfs/dbraw/zinc/51/19/28/991511928.db2.gz RGKOQIDRPYFFIE-ZSOFBXJNSA-N -1 0 340.375 3.558 20 0 EHADRM COc1ccccc1[C@H](C)OC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001599719492 991512393 /nfs/dbraw/zinc/51/23/93/991512393.db2.gz RGKOQIDRPYFFIE-RISOHXOYSA-N -1 0 340.375 3.558 20 0 EHADRM CC(C)C1(NC(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)CC1 ZINC001591068055 991521764 /nfs/dbraw/zinc/52/17/64/991521764.db2.gz QBAPFJONVMJLSS-UHFFFAOYSA-N -1 0 342.395 3.613 20 0 EHADRM CC(C)[C@@H]1C[C@@H]1C(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001591080579 991585909 /nfs/dbraw/zinc/58/59/09/991585909.db2.gz UBGUCIIAKXBMJA-GJZGRUSLSA-N -1 0 345.420 3.844 20 0 EHADRM CC(C)[C@H]1CCC[C@@H](NC(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC001591082672 991599493 /nfs/dbraw/zinc/59/94/93/991599493.db2.gz WDWDEZHVQSEQIM-DOTOQJQBSA-N -1 0 332.444 3.789 20 0 EHADRM CC(C)[C@H]1N(C(=O)/C=C\c2cc(C(=O)[O-])co2)CC12CCCCC2 ZINC001591099959 991716954 /nfs/dbraw/zinc/71/69/54/991716954.db2.gz SPBOKWUSUAXYFG-JTGQJZMRSA-N -1 0 331.412 3.808 20 0 EHADRM CC(C)C[C@@H](C)CC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001591132673 991831023 /nfs/dbraw/zinc/83/10/23/991831023.db2.gz CLQHXIRATMMMCK-BMIGLBTASA-N -1 0 329.799 3.793 20 0 EHADRM CC(C)C[C@H](C)OCCC(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001591137819 991848033 /nfs/dbraw/zinc/84/80/33/991848033.db2.gz DXHSTPWZMSPUFR-ZDUSSCGKSA-N -1 0 344.411 3.713 20 0 EHADRM CC(C)CC(CC(C)C)C(=O)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC001591143455 991870615 /nfs/dbraw/zinc/87/06/15/991870615.db2.gz SKRZHPCSTLASEY-UHFFFAOYSA-N -1 0 349.471 3.817 20 0 EHADRM CC(C)C[C@H](CNC(=O)/C=C\c1ccccc1C(F)(F)F)C(=O)[O-] ZINC001591146668 991884084 /nfs/dbraw/zinc/88/40/84/991884084.db2.gz IYPMOSIRGKFOKN-MEJMFZKBSA-N -1 0 343.345 3.582 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1cccc2c1OC(C)(C)CC2)C(=O)[O-] ZINC001591150716 991893520 /nfs/dbraw/zinc/89/35/20/991893520.db2.gz MHBOCIRFOUQTQM-AWEZNQCLSA-N -1 0 348.443 3.659 20 0 EHADRM CC(C)C[C@@H](CNC(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1)C(=O)[O-] ZINC001591153784 991898938 /nfs/dbraw/zinc/89/89/38/991898938.db2.gz QVGLEKSELZGLBC-AWEZNQCLSA-N -1 0 348.830 3.812 20 0 EHADRM CC(C)C[C@@H](NC(=O)NCc1cc(C(=O)[O-])co1)c1ccccc1 ZINC001591177099 991969840 /nfs/dbraw/zinc/96/98/40/991969840.db2.gz AHIGEGDNVUQFIP-MRXNPFEDSA-N -1 0 330.384 3.564 20 0 EHADRM CC(C)C[C@@H](OC(=O)c1sc2ncccc2c1Cl)C(=O)[O-] ZINC001591191116 992000088 /nfs/dbraw/zinc/00/00/88/992000088.db2.gz PDOIZHYEAQCQFW-SECBINFHSA-N -1 0 327.789 3.606 20 0 EHADRM CC(C)CC1(C)CCN(C(=O)NCCc2ccc(C(=O)[O-])cc2)CC1 ZINC001591196458 992011057 /nfs/dbraw/zinc/01/10/57/992011057.db2.gz BCENJCRFUBWRBO-UHFFFAOYSA-N -1 0 346.471 3.785 20 0 EHADRM CC(C)CC1(CNC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)CCCC1 ZINC001591196784 992014117 /nfs/dbraw/zinc/01/41/17/992014117.db2.gz MOAJHRXFVJHEOQ-UWJYYQICSA-N -1 0 343.467 3.968 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC001598474519 992064803 /nfs/dbraw/zinc/06/48/03/992064803.db2.gz DFXIAOSSKWZNFL-UHFFFAOYSA-N -1 0 331.456 3.972 20 0 EHADRM CC(C)CCCC(=O)N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001591228098 992102652 /nfs/dbraw/zinc/10/26/52/992102652.db2.gz OHHAMWVGEDJQDD-AWEZNQCLSA-N -1 0 331.334 3.774 20 0 EHADRM CC(C)CCN(C)C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001591240307 992130405 /nfs/dbraw/zinc/13/04/05/992130405.db2.gz QKJFRKXRXGNPGB-ZDUSSCGKSA-N -1 0 346.349 3.676 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)Nc2cc(C(=O)[O-])ccn2)cc1 ZINC001591259864 992165543 /nfs/dbraw/zinc/16/55/43/992165543.db2.gz FWOLORISGKWPEX-UHFFFAOYSA-N -1 0 343.383 3.849 20 0 EHADRM CC(C)CN(C(=O)[C@@H](C)Sc1ccc(F)cc1)C(C)(C)C(=O)[O-] ZINC001591281334 992213811 /nfs/dbraw/zinc/21/38/11/992213811.db2.gz LOLSNQAJCOWVHF-GFCCVEGCSA-N -1 0 341.448 3.654 20 0 EHADRM CC(C)CN(C(=O)c1ccc2c(c1)CCCCC2=O)C(C)(C)C(=O)[O-] ZINC001591285132 992222272 /nfs/dbraw/zinc/22/22/72/992222272.db2.gz LTMPVMIIZBSYHF-UHFFFAOYSA-N -1 0 345.439 3.557 20 0 EHADRM CC(C)CN(CC(=O)[O-])Cc1nc(-c2c(F)cccc2F)cs1 ZINC001591302939 992248776 /nfs/dbraw/zinc/24/87/76/992248776.db2.gz AOISKQBDYGBAPC-UHFFFAOYSA-N -1 0 340.395 3.631 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)c1nc(-c2ccccc2)oc1C(C)C ZINC001591304721 992254108 /nfs/dbraw/zinc/25/41/08/992254108.db2.gz FVQWOMKIHTVROU-UHFFFAOYSA-N -1 0 344.411 3.648 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)/C=C\SCc1ccco1 ZINC001591309916 992270610 /nfs/dbraw/zinc/27/06/10/992270610.db2.gz OQZOSSQSUYAOFY-CLFYSBASSA-N -1 0 339.457 3.622 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])c1cc(C2CC2)nc(C2CC2)n1 ZINC001591314157 992279810 /nfs/dbraw/zinc/27/98/10/992279810.db2.gz NEGKCWZBNODMMT-UHFFFAOYSA-N -1 0 331.460 3.805 20 0 EHADRM CS[C@@H](C(=O)Oc1cc(C(=O)[O-])cc(F)c1C)c1ccccc1 ZINC001599780305 992355846 /nfs/dbraw/zinc/35/58/46/992355846.db2.gz HRKNXBBHVLHGQE-OAHLLOKOSA-N -1 0 334.368 3.842 20 0 EHADRM CS[C@H](C)CCC(=O)Nc1cc(Br)ccc1C(=O)[O-] ZINC001599782627 992384841 /nfs/dbraw/zinc/38/48/41/992384841.db2.gz HAKIQPNRWOBYJZ-MRVPVSSYSA-N -1 0 346.246 3.618 20 0 EHADRM CS[C@@H](C)CCC(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001599783379 992394897 /nfs/dbraw/zinc/39/48/97/992394897.db2.gz OVCXATZWJKSQQU-TVQRCGJNSA-N -1 0 349.374 3.636 20 0 EHADRM CC(C)CSCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001591416398 992497448 /nfs/dbraw/zinc/49/74/48/992497448.db2.gz YUMPKVBZINPPKM-SNVBAGLBSA-N -1 0 341.498 3.899 20 0 EHADRM CN(Cc1cc(Cl)ccc1F)C(=O)Nc1ccsc1C(=O)[O-] ZINC001598507947 992531984 /nfs/dbraw/zinc/53/19/84/992531984.db2.gz YFGUAFTUKDJKDU-UHFFFAOYSA-N -1 0 342.779 3.903 20 0 EHADRM CN(Cc1cc2ccccc2o1)C(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001598508934 992542379 /nfs/dbraw/zinc/54/23/79/992542379.db2.gz MVXJTYMGBLZJIZ-UTKZUKDTSA-N -1 0 349.386 3.650 20 0 EHADRM CC(C)C[C@@H]1C[C@H]1C(=O)Oc1ccc(Br)cc1C(=O)[O-] ZINC001591444772 992543420 /nfs/dbraw/zinc/54/34/20/992543420.db2.gz UFADQTAHSCZWMJ-MWLCHTKSSA-N -1 0 341.201 3.735 20 0 EHADRM CC(C)Cc1c[nH]c(C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)c1 ZINC001591475988 992592827 /nfs/dbraw/zinc/59/28/27/992592827.db2.gz NLKRJTQQTAMSNY-UHFFFAOYSA-N -1 0 325.368 3.645 20 0 EHADRM CN(Cc1nc2ccc(Cl)cc2n1C)Cc1ccc(C(=O)[O-])cc1 ZINC001598514061 992600368 /nfs/dbraw/zinc/60/03/68/992600368.db2.gz WGFYNOWUDOMNMI-UHFFFAOYSA-N -1 0 343.814 3.557 20 0 EHADRM CC(C)Cc1ccc(C(=O)Oc2ccc(N(C)C)c(C(=O)[O-])c2)s1 ZINC001591485054 992614847 /nfs/dbraw/zinc/61/48/47/992614847.db2.gz ZMJMTPHHSCLDFB-UHFFFAOYSA-N -1 0 347.436 3.930 20 0 EHADRM CC(C)Cc1ccccc1C(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001591488623 992616912 /nfs/dbraw/zinc/61/69/12/992616912.db2.gz HMISIQGDVNLDOC-UHFFFAOYSA-N -1 0 329.371 3.652 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)N[C@@H](C(=O)[O-])c2cccs2)c1 ZINC001591488919 992617978 /nfs/dbraw/zinc/61/79/78/992617978.db2.gz KNCWWQWZHWSTSX-CXAGYDPISA-N -1 0 345.464 3.992 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)N[C@@H](C(=O)[O-])c2cccs2)c1 ZINC001591488922 992618083 /nfs/dbraw/zinc/61/80/83/992618083.db2.gz KNCWWQWZHWSTSX-SUMWQHHRSA-N -1 0 345.464 3.992 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)OCc2cccc(C(=O)[O-])n2)c1 ZINC001591489202 992618681 /nfs/dbraw/zinc/61/86/81/992618681.db2.gz NXDPRROWYMWNNZ-CQSZACIVSA-N -1 0 341.407 3.825 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)OCc2cccc(C(=O)[O-])n2)c1 ZINC001591489201 992619010 /nfs/dbraw/zinc/61/90/10/992619010.db2.gz NXDPRROWYMWNNZ-AWEZNQCLSA-N -1 0 341.407 3.825 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)NCc2ccoc2C(=O)[O-])c1 ZINC001591489408 992620707 /nfs/dbraw/zinc/62/07/07/992620707.db2.gz RIVCTLCQTVMEGN-CYBMUJFWSA-N -1 0 329.396 3.596 20 0 EHADRM CC(C)Cn1ncc(NC(=O)c2ccsc2C(=O)[O-])c1C(C)C ZINC001591533554 992712124 /nfs/dbraw/zinc/71/21/24/992712124.db2.gz MJXGLDPBXRBHII-UHFFFAOYSA-N -1 0 335.429 3.675 20 0 EHADRM CC(C)N(C(=O)CSc1cc(Cl)ccc1C(=O)[O-])C(C)C ZINC001591543562 992728065 /nfs/dbraw/zinc/72/80/65/992728065.db2.gz MSFVXGNSXHFELG-UHFFFAOYSA-N -1 0 329.849 3.776 20 0 EHADRM CN(Cc1ccccc1-c1ccccc1)C(=O)c1cc(C(=O)[O-])ccn1 ZINC001598529976 992767674 /nfs/dbraw/zinc/76/76/74/992767674.db2.gz RZICMOJSDFKRQE-UHFFFAOYSA-N -1 0 346.386 3.719 20 0 EHADRM CC(C)N(C)c1ccccc1NC(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001591562326 992768399 /nfs/dbraw/zinc/76/83/99/992768399.db2.gz OYGOJLABAXUEPY-UHFFFAOYSA-N -1 0 330.359 3.621 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)/C(F)=C\c1ccc(C(F)(F)F)cc1 ZINC001591576005 992788438 /nfs/dbraw/zinc/78/84/38/992788438.db2.gz WSSMNODOHLKIEH-UKTHLTGXSA-N -1 0 347.308 3.728 20 0 EHADRM CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1CSCC(C)(C)C ZINC001598556147 993059934 /nfs/dbraw/zinc/05/99/34/993059934.db2.gz XJDJAFISVBOVHO-OAHLLOKOSA-N -1 0 348.468 3.501 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C)c2)o1 ZINC000538014813 1015763979 /nfs/dbraw/zinc/76/39/79/1015763979.db2.gz FDNJNUBYQDTHTL-UHFFFAOYSA-N -1 0 349.330 3.638 20 0 EHADRM COc1ccc(NC(=O)CCc2ccc(C(=O)[O-])cc2)cc1SC ZINC001599590617 993677477 /nfs/dbraw/zinc/67/74/77/993677477.db2.gz GMCQQXJDRUDSIX-UHFFFAOYSA-N -1 0 345.420 3.687 20 0 EHADRM COc1ccc(NC(=O)c2cc(C)c3ccccc3n2)c(C(=O)[O-])c1 ZINC001599594136 993726338 /nfs/dbraw/zinc/72/63/38/993726338.db2.gz SUXPUCVDNRYOKQ-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM C[C@H](c1ccccc1)[C@H](C)NC(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001593109208 993771657 /nfs/dbraw/zinc/77/16/57/993771657.db2.gz KLYGMPAPWQRGFP-QWRGUYRKSA-N -1 0 347.802 3.747 20 0 EHADRM COc1ccc(OC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1C(F)(F)F ZINC001599599350 993792273 /nfs/dbraw/zinc/79/22/73/993792273.db2.gz BOULAEWLZZNBHR-ZJUUUORDSA-N -1 0 346.301 3.510 20 0 EHADRM COc1ccc(OC(=O)Cc2cccc(C(=O)[O-])c2)c2ccccc12 ZINC001599599728 993798422 /nfs/dbraw/zinc/79/84/22/993798422.db2.gz PJXVQJHYSCABDA-UHFFFAOYSA-N -1 0 336.343 3.695 20 0 EHADRM C[C@H](NC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)C1CCOCC1 ZINC001593118973 993834429 /nfs/dbraw/zinc/83/44/29/993834429.db2.gz VOTOFDDSGBOPCN-JTQLQIEISA-N -1 0 348.424 3.536 20 0 EHADRM C[C@H](NC(=O)Nc1cccc(CCC(=O)[O-])c1)[C@@]12C[C@@H]1CCCC2 ZINC001593118995 993834457 /nfs/dbraw/zinc/83/44/57/993834457.db2.gz VUVRNYKHOZULBS-ZUEVXXBESA-N -1 0 330.428 3.794 20 0 EHADRM C[C@H](NC(=O)c1ccccc1-c1ccccc1C(=O)[O-])c1ccc[nH]1 ZINC001593176149 994052647 /nfs/dbraw/zinc/05/26/47/994052647.db2.gz MHLFZXLIRYKSIA-ZDUSSCGKSA-N -1 0 334.375 3.871 20 0 EHADRM C[C@H](NC(=O)c1ccccc1C(F)F)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593178589 994057577 /nfs/dbraw/zinc/05/75/77/994057577.db2.gz CVIUBJXJGFKDGX-BLLLJJGKSA-N -1 0 347.361 3.686 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2C(=O)Nc2cc(C)c(C(=O)[O-])s2)cc1 ZINC001599619918 994067444 /nfs/dbraw/zinc/06/74/44/994067444.db2.gz DMPQAXCECUQWCR-QWHCGFSZSA-N -1 0 331.393 3.506 20 0 EHADRM C[C@@H](NC(=S)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)c1cccs1 ZINC001593190817 994127985 /nfs/dbraw/zinc/12/79/85/994127985.db2.gz WSPJSZAPTPFDSH-DDTOSNHZSA-N -1 0 346.477 3.984 20 0 EHADRM C[C@@H](N[C@@H](C(=O)[O-])c1cc(F)ccc1F)c1nccc2ccccc21 ZINC001593190827 994127994 /nfs/dbraw/zinc/12/79/94/994127994.db2.gz WVENOTBJPFPXAH-ADLMAVQZSA-N -1 0 342.345 3.990 20 0 EHADRM COc1ccc2c(c1)C(C)(C)C[C@H]2N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001599624396 994128451 /nfs/dbraw/zinc/12/84/51/994128451.db2.gz CVPXXGLIEFSSMP-IINYFYTJSA-N -1 0 346.452 3.923 20 0 EHADRM COc1ccc2c(CC(=O)Nc3c(C)csc3C(=O)[O-])coc2c1 ZINC001599624544 994130104 /nfs/dbraw/zinc/13/01/04/994130104.db2.gz VATKUTMZCRLCPZ-UHFFFAOYSA-N -1 0 345.376 3.691 20 0 EHADRM C[C@H](N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1nc(C(F)(F)F)cs1 ZINC001593194208 994131059 /nfs/dbraw/zinc/13/10/59/994131059.db2.gz BFLPZZKTZGCKAE-WRWORJQWSA-N -1 0 348.321 3.778 20 0 EHADRM C[C@@H](N[C@H](C)c1ccccc1OC(F)F)c1ccc(C(=O)[O-])o1 ZINC001593194889 994142617 /nfs/dbraw/zinc/14/26/17/994142617.db2.gz ARNRRGFCARZSLD-NXEZZACHSA-N -1 0 325.311 3.991 20 0 EHADRM C[C@H](N[C@@H](C(=O)[O-])c1ccccc1F)c1nc(C2CCCCC2)no1 ZINC001593196094 994152119 /nfs/dbraw/zinc/15/21/19/994152119.db2.gz UGSGRKMAFPAAOJ-XHDPSFHLSA-N -1 0 347.390 3.733 20 0 EHADRM C[C@H](N[C@@H](C)c1ccc2c(c1)CCCO2)c1ncc(C(=O)[O-])s1 ZINC001593204559 994204069 /nfs/dbraw/zinc/20/40/69/994204069.db2.gz UCUQUHPSGLZJNK-QWRGUYRKSA-N -1 0 332.425 3.578 20 0 EHADRM C[C@@H](N[C@@H](C)c1ccc(C(F)F)nc1)c1ncc(C(=O)[O-])s1 ZINC001593204928 994210192 /nfs/dbraw/zinc/21/01/92/994210192.db2.gz XREGLAWGJDNGGE-JGVFFNPUSA-N -1 0 327.356 3.586 20 0 EHADRM COc1ccc2cc(NC(=O)c3cc(C)cc(C(=O)[O-])c3)ccc2n1 ZINC001599634902 994273329 /nfs/dbraw/zinc/27/33/29/994273329.db2.gz WJYNYWVZIPNUCB-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM C[C@H](N[C@@H]1CCCOc2cc(F)ccc21)c1ncc(C(=O)[O-])s1 ZINC001593217901 994279471 /nfs/dbraw/zinc/27/94/71/994279471.db2.gz DIDYNXOZAJXDPN-JOYOIKCWSA-N -1 0 336.388 3.545 20 0 EHADRM COc1ccc2occ(C(=O)Nc3ccc(C(=O)[O-])c(C)c3)c2c1 ZINC001599637558 994311292 /nfs/dbraw/zinc/31/12/92/994311292.db2.gz ODNYEKYQRNSLOE-UHFFFAOYSA-N -1 0 325.320 3.700 20 0 EHADRM COc1ccc2oc([C@@H](C)N[C@@H](C)c3nc(C(=O)[O-])co3)c(C)c2c1 ZINC001599637876 994315321 /nfs/dbraw/zinc/31/53/21/994315321.db2.gz LPANNIQPRLFFNH-MNOVXSKESA-N -1 0 344.367 3.848 20 0 EHADRM COc1cccc(-n2ccnc2SC[C@@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC001599640948 994358533 /nfs/dbraw/zinc/35/85/33/994358533.db2.gz OVHUUCJCXGGHGX-BBRMVZONSA-N -1 0 346.452 3.864 20 0 EHADRM COc1cccc(C(=O)Nc2cccc3cc(C(=O)[O-])sc32)c1O ZINC001599642790 994382586 /nfs/dbraw/zinc/38/25/86/994382586.db2.gz SVPNUPXVKFOTPF-UHFFFAOYSA-N -1 0 343.360 3.566 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)c1ccc(F)c(SC)c1 ZINC001599643242 994388151 /nfs/dbraw/zinc/38/81/51/994388151.db2.gz DGCLCNPQALGXGG-UHFFFAOYSA-N -1 0 349.383 3.531 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)Cc1cccc2ccccc21 ZINC001599643557 994392695 /nfs/dbraw/zinc/39/26/95/994392695.db2.gz DUOYRVWPOOGWAX-UHFFFAOYSA-N -1 0 336.343 3.695 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1cscc1C(F)(F)F ZINC001599646160 994427935 /nfs/dbraw/zinc/42/79/35/994427935.db2.gz REWJNLOMSCNIKT-UHFFFAOYSA-N -1 0 346.282 3.693 20 0 EHADRM C[C@H](NC[C@H](OC1CCCC1)C(F)(F)F)c1cc(C(=O)[O-])co1 ZINC001593246319 994449318 /nfs/dbraw/zinc/44/93/18/994449318.db2.gz JXQISJYEJOIXSK-ZANVPECISA-N -1 0 335.322 3.519 20 0 EHADRM COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)c2cccc(C(F)F)c2)c1 ZINC001599649141 994469632 /nfs/dbraw/zinc/46/96/32/994469632.db2.gz OJVJOJMUDOEIHQ-HNNXBMFYSA-N -1 0 349.333 3.531 20 0 EHADRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)[C@H]2CCC(C)=C(C)C2)c1 ZINC001599649663 994477099 /nfs/dbraw/zinc/47/70/99/994477099.db2.gz MNYBLPPCZSYKRT-YWZLYKJASA-N -1 0 345.439 3.638 20 0 EHADRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)C[C@H](C)CC(C)(C)C)c1 ZINC001599652535 994527164 /nfs/dbraw/zinc/52/71/64/994527164.db2.gz PQQLXMXXGNSDJM-XOBRGWDASA-N -1 0 349.471 3.964 20 0 EHADRM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)C[C@@H](C)CC(C)(C)C)c1 ZINC001599652532 994527342 /nfs/dbraw/zinc/52/73/42/994527342.db2.gz PQQLXMXXGNSDJM-JLTOFOAXSA-N -1 0 349.471 3.964 20 0 EHADRM COc1cccc([C@H](N[C@@H](C(F)F)C2CCCCC2)C(=O)[O-])c1 ZINC001599656423 994588470 /nfs/dbraw/zinc/58/84/70/994588470.db2.gz HNVASLPNKMRIPX-CABCVRRESA-N -1 0 327.371 3.625 20 0 EHADRM C[C@@H](NCc1cc(C(=O)[O-])ccc1F)c1cc(Cl)cc2c1OCC2 ZINC001593288644 994658197 /nfs/dbraw/zinc/65/81/97/994658197.db2.gz LNLPGZKAWYGCPM-SNVBAGLBSA-N -1 0 349.789 3.963 20 0 EHADRM C[C@@H](NCc1cc(C(=O)[O-])ccc1F)c1nc2ccccc2s1 ZINC001593289371 994661915 /nfs/dbraw/zinc/66/19/15/994661915.db2.gz RHROVUMFSWPMCV-SNVBAGLBSA-N -1 0 330.384 3.984 20 0 EHADRM C[C@H](NCc1cc(C(=O)[O-])no1)c1cc(Cl)cc(Cl)c1F ZINC001593289609 994665330 /nfs/dbraw/zinc/66/53/30/994665330.db2.gz VPTPPAKGRHHHJA-LURJTMIESA-N -1 0 333.146 3.670 20 0 EHADRM COc1cccc(CC(=O)[O-])c1OCc1cccc(C(F)(F)F)c1 ZINC001599664491 994707731 /nfs/dbraw/zinc/70/77/31/994707731.db2.gz IHBZUXQRMDBEPO-UHFFFAOYSA-N -1 0 340.297 3.920 20 0 EHADRM COc1cccc(C2CCN(c3ncc(C(=O)[O-])cc3Cl)CC2)c1 ZINC001599665070 994716216 /nfs/dbraw/zinc/71/62/16/994716216.db2.gz ITVUKSGMXSKJBV-UHFFFAOYSA-N -1 0 346.814 3.826 20 0 EHADRM COc1cccc(C[C@@H](C)CC(=O)Nc2cc(C(=O)[O-])sc2C)c1 ZINC001599666026 994731090 /nfs/dbraw/zinc/73/10/90/994731090.db2.gz OHNZGRZQQJZLTH-LLVKDONJSA-N -1 0 347.436 3.971 20 0 EHADRM C[C@H](NCc1ccsc1C(=O)[O-])c1ncc(-c2ccccc2)o1 ZINC001593309985 994769453 /nfs/dbraw/zinc/76/94/53/994769453.db2.gz DNNOIHDCDVBQMX-NSHDSACASA-N -1 0 328.393 3.952 20 0 EHADRM C[C@@H](NCc1cnc(C(=O)[O-])cn1)c1ccc(Oc2ccccc2)cc1 ZINC001593310500 994773837 /nfs/dbraw/zinc/77/38/37/994773837.db2.gz JGONGOHLAYFNQA-CQSZACIVSA-N -1 0 349.390 3.818 20 0 EHADRM C[C@H](NCc1nc(C(=O)[O-])cs1)c1cccc(C(F)(F)F)c1 ZINC001593312268 994798111 /nfs/dbraw/zinc/79/81/11/994798111.db2.gz RWECBIUBRKLBKU-QMMMGPOBSA-N -1 0 330.331 3.711 20 0 EHADRM COc1cccc(CNc2ccc(C(=O)[O-])c(C)c2)c1OC(F)F ZINC001599675231 994886219 /nfs/dbraw/zinc/88/62/19/994886219.db2.gz AGFCDHAEGGBDLB-UHFFFAOYSA-N -1 0 337.322 3.915 20 0 EHADRM CNc1ccc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c(Cl)c1 ZINC001598678474 994887437 /nfs/dbraw/zinc/88/74/37/994887437.db2.gz UODVBFDUOHSEDQ-LLVKDONJSA-N -1 0 344.798 3.600 20 0 EHADRM COc1cccc(Cl)c1CC(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC001599675964 994898266 /nfs/dbraw/zinc/89/82/66/994898266.db2.gz FHEPQELHEMPNQC-UHFFFAOYSA-N -1 0 333.771 3.536 20 0 EHADRM COc1cccc(Cl)c1CN[C@H](C(=O)[O-])c1ccccc1Cl ZINC001599676491 994905833 /nfs/dbraw/zinc/90/58/33/994905833.db2.gz JDKKJSXPMPVQCV-HNNXBMFYSA-N -1 0 340.206 3.918 20 0 EHADRM CNc1ccc(Cl)c(C(=O)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC001598679746 994907351 /nfs/dbraw/zinc/90/73/51/994907351.db2.gz LPPSJKDVBLWILW-UHFFFAOYSA-N -1 0 332.787 3.651 20 0 EHADRM COc1cccc(CS[C@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)c1 ZINC001599676839 994911418 /nfs/dbraw/zinc/91/14/18/994911418.db2.gz OAITZNUKFFCVSZ-GFCCVEGCSA-N -1 0 347.436 3.843 20 0 EHADRM COc1cccc(CS[C@@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)c1 ZINC001599676841 994911630 /nfs/dbraw/zinc/91/16/30/994911630.db2.gz OAITZNUKFFCVSZ-LBPRGKRZSA-N -1 0 347.436 3.843 20 0 EHADRM CNc1ccc(Cl)c(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c1 ZINC001598680170 994914800 /nfs/dbraw/zinc/91/48/00/994914800.db2.gz UTXFKTLJDVGRFF-LLVKDONJSA-N -1 0 344.798 3.600 20 0 EHADRM COc1cccc(NC(=S)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC001599679892 994961443 /nfs/dbraw/zinc/96/14/43/994961443.db2.gz NEZLONQOLRMKJO-LBPRGKRZSA-N -1 0 344.436 3.767 20 0 EHADRM COC(=O)/C(=C/c1cc(C(=O)[O-])oc1C)c1nc(C(C)(C)C)cs1 ZINC001598684072 994979292 /nfs/dbraw/zinc/97/92/92/994979292.db2.gz GXPBDBJCDCJAAL-IZZDOVSWSA-N -1 0 349.408 3.754 20 0 EHADRM COc1cccc(OC)c1-c1ccc(OCCCC(=O)[O-])c(C)c1 ZINC001599682830 995009482 /nfs/dbraw/zinc/00/94/82/995009482.db2.gz IUBSYBRQSRHGMZ-UHFFFAOYSA-N -1 0 330.380 3.923 20 0 EHADRM C[C@H](Nc1cccc(CN(C)C(=O)OC(C)(C)C)c1)[C@@H]1C[C@H]1C(=O)[O-] ZINC001593365569 995041813 /nfs/dbraw/zinc/04/18/13/995041813.db2.gz BINUUKCINCXIHW-VBNZEHGJSA-N -1 0 348.443 3.575 20 0 EHADRM COC(=O)[C@H](S[C@H](C)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001598711239 995351364 /nfs/dbraw/zinc/35/13/64/995351364.db2.gz IUZLOYJVDLEKIW-PRHODGIISA-N -1 0 336.331 3.516 20 0 EHADRM C[C@@H](OC(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1)C(=O)[O-] ZINC001593490548 995456479 /nfs/dbraw/zinc/45/64/79/995456479.db2.gz DTPNHDUOMNCPOH-ABAIWWIYSA-N -1 0 334.368 3.675 20 0 EHADRM C[C@H](OC(=O)CCCOc1ccc(F)cc1)c1cc(C(=O)[O-])co1 ZINC001593513603 995524520 /nfs/dbraw/zinc/52/45/20/995524520.db2.gz CMTNXDIKPNCAOY-NSHDSACASA-N -1 0 336.315 3.580 20 0 EHADRM C[C@@H](OC(=O)CCCCC(=O)[O-])c1cccc(Br)c1 ZINC001593516970 995550465 /nfs/dbraw/zinc/55/04/65/995550465.db2.gz VVFIWYHRJPHZGF-SNVBAGLBSA-N -1 0 329.190 3.698 20 0 EHADRM C[C@@H](OC(=O)c1[nH]c2ccccc2c1CC(=O)[O-])c1cccc(F)c1 ZINC001593566881 995664547 /nfs/dbraw/zinc/66/45/47/995664547.db2.gz WOOZQHWFOGCEFM-LLVKDONJSA-N -1 0 341.338 3.852 20 0 EHADRM C[C@@H](OC(=O)c1ccc([C@H]2CCCOC2)cc1)c1cc(C(=O)[O-])co1 ZINC001593578584 995687394 /nfs/dbraw/zinc/68/73/94/995687394.db2.gz DPKDYXOPHHQGJU-DOMZBBRYSA-N -1 0 344.363 3.790 20 0 EHADRM C[C@H](OC(=O)c1cccn1Cc1cccs1)c1ccc(C(=O)[O-])o1 ZINC001593591749 995716643 /nfs/dbraw/zinc/71/66/43/995716643.db2.gz KHBPEDMYCQGJMN-NSHDSACASA-N -1 0 345.376 3.807 20 0 EHADRM C[C@H](OC(=O)c1cccn1Cc1ccccc1)c1ccc(C(=O)[O-])o1 ZINC001593591775 995716827 /nfs/dbraw/zinc/71/68/27/995716827.db2.gz LNLRMATZMVTPJA-ZDUSSCGKSA-N -1 0 339.347 3.746 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)c1F ZINC000180516942 1015969122 /nfs/dbraw/zinc/96/91/22/1015969122.db2.gz WRQRQVRSMAMPIJ-UHFFFAOYSA-N -1 0 346.383 3.954 20 0 EHADRM C[C@@H](OC1CCCCC1)C(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-] ZINC001593602810 995765906 /nfs/dbraw/zinc/76/59/06/995765906.db2.gz KRSLZCKQBQIJGL-SECBINFHSA-N -1 0 343.782 3.854 20 0 EHADRM C[C@H](Oc1ccc(CNc2cccc(-c3ccon3)c2)cc1)C(=O)[O-] ZINC001593620285 995868908 /nfs/dbraw/zinc/86/89/08/995868908.db2.gz YXNKLPJRCJRYAK-ZDUSSCGKSA-N -1 0 338.363 3.806 20 0 EHADRM C[C@@H](Oc1cccc(Cl)c1)C(=O)O[C@H](C(=O)[O-])c1ccsc1 ZINC001593639524 995942147 /nfs/dbraw/zinc/94/21/47/995942147.db2.gz OBVWHPPPPOPTMZ-RNCFNFMXSA-N -1 0 340.784 3.538 20 0 EHADRM C[C@@H](Oc1ccccc1)c1noc(-c2ccc(C(=O)[O-])c(F)c2)n1 ZINC001593641580 995953677 /nfs/dbraw/zinc/95/36/77/995953677.db2.gz SBRBKDKKDUQCOI-SNVBAGLBSA-N -1 0 328.299 3.714 20 0 EHADRM C[C@@H](Oc1ccccc1NCc1ncc(C(=O)[O-])s1)C(F)(F)F ZINC001593651780 996013593 /nfs/dbraw/zinc/01/35/93/996013593.db2.gz QWJHIFNOHKINTL-MRVPVSSYSA-N -1 0 346.330 3.783 20 0 EHADRM C[C@H](Oc1ccccc1NCc1ccc(C(=O)[O-])cn1)C(F)(F)F ZINC001593652011 996015752 /nfs/dbraw/zinc/01/57/52/996015752.db2.gz VTHVGGZNUAEZLR-JTQLQIEISA-N -1 0 340.301 3.722 20 0 EHADRM C[C@H](Oc1ccccc1CNc1cncc(C(F)(F)F)c1)C(=O)[O-] ZINC001593652345 996017754 /nfs/dbraw/zinc/01/77/54/996017754.db2.gz XIHFZVREPFIEBK-JTQLQIEISA-N -1 0 340.301 3.564 20 0 EHADRM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC001593652578 996018166 /nfs/dbraw/zinc/01/81/66/996018166.db2.gz YKOPDCNKGUZDFN-VXGBXAGGSA-N -1 0 347.798 3.934 20 0 EHADRM C[C@H](OC(=O)[C@H](C)SCc1ccccc1)c1cc(C(=O)[O-])co1 ZINC001593663759 996045997 /nfs/dbraw/zinc/04/59/97/996045997.db2.gz RFENPAMWDAGZFE-RYUDHWBXSA-N -1 0 334.393 3.904 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)O[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593664021 996048272 /nfs/dbraw/zinc/04/82/72/996048272.db2.gz WQHFWQQVTIOWFG-PBHICJAKSA-N -1 0 344.432 3.547 20 0 EHADRM C[C@H](Sc1ccc(C(=O)[O-])cc1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC001593664480 996052016 /nfs/dbraw/zinc/05/20/16/996052016.db2.gz VNCSALLCUZTTDI-WFGGJUAMSA-N -1 0 335.469 3.806 20 0 EHADRM C[C@H](c1c(F)cccc1F)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001593686895 996125518 /nfs/dbraw/zinc/12/55/18/996125518.db2.gz NOXCTTXLYLKJRW-LLVKDONJSA-N -1 0 333.334 3.619 20 0 EHADRM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001593692332 996138501 /nfs/dbraw/zinc/13/85/01/996138501.db2.gz BAPRYRGKWGELSW-MRVPVSSYSA-N -1 0 341.194 3.853 20 0 EHADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001593698040 996160295 /nfs/dbraw/zinc/16/02/95/996160295.db2.gz CUHZTDKKXSSSBL-SNVBAGLBSA-N -1 0 333.775 3.658 20 0 EHADRM C[C@H](c1ccccc1)N(C(=O)c1ccc(/C=C\C(=O)[O-])o1)C1CC1 ZINC001593705394 996190314 /nfs/dbraw/zinc/19/03/14/996190314.db2.gz JJYGEELLMATVTE-KXXVWKPMSA-N -1 0 325.364 3.743 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(NC3CCCCC3)cc2)nc1 ZINC000683302734 1016015643 /nfs/dbraw/zinc/01/56/43/1016015643.db2.gz VDWHYYIRBNOLMH-UHFFFAOYSA-N -1 0 339.395 3.777 20 0 EHADRM C[C@@H](c1nc(C(=O)[O-])co1)N1CCC(=Cc2cccc(F)c2)CC1 ZINC001593724157 996263678 /nfs/dbraw/zinc/26/36/78/996263678.db2.gz CWTBMMASDINBIP-LBPRGKRZSA-N -1 0 330.359 3.752 20 0 EHADRM C[C@H](c1nc(C(=O)[O-])co1)N1CC=C(c2ccccc2Cl)CC1 ZINC001593725846 996284088 /nfs/dbraw/zinc/28/40/88/996284088.db2.gz VBJHDMAMOSLXQU-LLVKDONJSA-N -1 0 332.787 3.877 20 0 EHADRM C[C@@H](c1nc(C(=O)[O-])co1)N1CC=C(c2cccc(Cl)c2)CC1 ZINC001593726091 996287182 /nfs/dbraw/zinc/28/71/82/996287182.db2.gz ZJERREKCMPANEH-NSHDSACASA-N -1 0 332.787 3.877 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)CCCc1c(F)cccc1F ZINC000655540821 1016024882 /nfs/dbraw/zinc/02/48/82/1016024882.db2.gz NLZZXJDSSYRZKW-CYBMUJFWSA-N -1 0 339.382 3.533 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N(CC(=O)[O-])CC1CC1 ZINC000683305509 1016031231 /nfs/dbraw/zinc/03/12/31/1016031231.db2.gz KVXIYTRPMTZTPJ-UHFFFAOYSA-N -1 0 337.375 3.831 20 0 EHADRM C[C@@]1(C(=O)Nc2cc(C(=O)[O-])c(F)cc2Br)C=CCC1 ZINC001593758725 996413985 /nfs/dbraw/zinc/41/39/85/996413985.db2.gz SWHUZSWDQFFCEC-CQSZACIVSA-N -1 0 342.164 3.581 20 0 EHADRM C[C@]1(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CCc2ccccc2C1 ZINC001593759874 996417005 /nfs/dbraw/zinc/41/70/05/996417005.db2.gz MYZMEJXVHQJUHH-IBGZPJMESA-N -1 0 345.345 3.797 20 0 EHADRM CCCCc1cc(=O)n(-c2nc(C(F)(F)F)nc3ccccc32)[n-]1 ZINC000634586706 1016031772 /nfs/dbraw/zinc/03/17/72/1016031772.db2.gz ULBHCSMHWWUSNH-UHFFFAOYSA-N -1 0 336.317 3.932 20 0 EHADRM CC1(C)[C@H](c2cccc(Cl)c2)CCN1c1ccnc(C(=O)[O-])n1 ZINC001593837832 996596678 /nfs/dbraw/zinc/59/66/78/996596678.db2.gz NJIUEQBZVMQPJN-ZDUSSCGKSA-N -1 0 331.803 3.601 20 0 EHADRM CC1(C)[C@@H](c2ccccc2)CCN1C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001593842865 996606184 /nfs/dbraw/zinc/60/61/84/996606184.db2.gz XKRAGFDVEDWTBK-GOSISDBHSA-N -1 0 337.419 3.722 20 0 EHADRM CC1(C)C[C@H](C(=O)Oc2cccc3c(CC(=O)[O-])cccc23)CCO1 ZINC001593848103 996617913 /nfs/dbraw/zinc/61/79/13/996617913.db2.gz IILDNFYLRCPTSY-CQSZACIVSA-N -1 0 342.391 3.578 20 0 EHADRM CC1(C)CC(CNC(=O)N2CCC[C@](C)(C(=O)[O-])C2)CC(C)(C)C1 ZINC001593853116 996629488 /nfs/dbraw/zinc/62/94/88/996629488.db2.gz HVPOAEZROUOACI-IBGZPJMESA-N -1 0 338.492 3.735 20 0 EHADRM CC1(C)C[C@H](O)c2cccc(NCc3cc(C(=O)[O-])cs3)c2O1 ZINC001593862034 996658735 /nfs/dbraw/zinc/65/87/35/996658735.db2.gz RCHGUWOBOUVMAA-AWEZNQCLSA-N -1 0 333.409 3.653 20 0 EHADRM CC1(C)C[C@@H](c2ccccc2)CN1C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001593863541 996663202 /nfs/dbraw/zinc/66/32/02/996663202.db2.gz HXVCQBACESVWCC-CQSZACIVSA-N -1 0 339.395 3.580 20 0 EHADRM CC1(C)C[C@@H](OC(=O)c2ccc(C(=O)[O-])cc2)c2ccccc2O1 ZINC001593864556 996667162 /nfs/dbraw/zinc/66/71/62/996667162.db2.gz XQIGVXMMKNHJBI-MRXNPFEDSA-N -1 0 326.348 3.844 20 0 EHADRM CC1(C)CCC(=CC(=O)N2C[C@@H](C(=O)[O-])Cc3ccccc32)CC1 ZINC001593871147 996683534 /nfs/dbraw/zinc/68/35/34/996683534.db2.gz QBJUDYCXRNZYQA-INIZCTEOSA-N -1 0 327.424 3.803 20 0 EHADRM CC1(C)CC[C@H](C(=O)N[C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)C1 ZINC001593874690 996691659 /nfs/dbraw/zinc/69/16/59/996691659.db2.gz PDWMVPWIYUMIMW-STQMWFEESA-N -1 0 343.345 3.931 20 0 EHADRM CC1(C)CCC[C@@](NC(=O)c2csc(-c3ccco3)n2)(C(=O)[O-])C1 ZINC001593895981 996750482 /nfs/dbraw/zinc/75/04/82/996750482.db2.gz OCSDGXFIVBOXOH-KRWDZBQOSA-N -1 0 348.424 3.557 20 0 EHADRM CC1(C)CCC[C@@H]1NC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001593903226 996771347 /nfs/dbraw/zinc/77/13/47/996771347.db2.gz NDPQDDGXTCEWLT-INIZCTEOSA-N -1 0 344.411 3.551 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001599379145 996803848 /nfs/dbraw/zinc/80/38/48/996803848.db2.gz WNGAZZUXMPHPQK-JKSUJKDBSA-N -1 0 340.375 3.883 20 0 EHADRM COc1ccc(C(=O)NC2(CCC(=O)[O-])CCCCC2)cc1C1CC1 ZINC001599483502 996805494 /nfs/dbraw/zinc/80/54/94/996805494.db2.gz LPJXQQXASPTINC-UHFFFAOYSA-N -1 0 345.439 3.870 20 0 EHADRM CC1(C)CCc2ccccc2[C@H](NC(=O)c2cccc(C(=O)[O-])n2)C1 ZINC001593915713 996813027 /nfs/dbraw/zinc/81/30/27/996813027.db2.gz CYYCEJJPDXXZHX-QGZVFWFLSA-N -1 0 338.407 3.613 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)C[C@]23CCCC[C@H]2C3(F)F)c1 ZINC001599486956 996867793 /nfs/dbraw/zinc/86/77/93/996867793.db2.gz AKPCXMPBHLKQSY-CZUORRHYSA-N -1 0 339.338 3.548 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)CCc2ccc(C(F)F)cc2)c1 ZINC001599487977 996886714 /nfs/dbraw/zinc/88/67/14/996886714.db2.gz QNFLRKUHRWKYQF-UHFFFAOYSA-N -1 0 349.333 3.902 20 0 EHADRM COC[C@@H](NCc1cc(C(=O)[O-])ccc1Cl)c1cccc(OC)c1 ZINC001599177954 996887780 /nfs/dbraw/zinc/88/77/80/996887780.db2.gz WVQNPDZFYJMXTA-QGZVFWFLSA-N -1 0 349.814 3.524 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2ccc(Cl)c(C)c2)c1F ZINC001599489776 996917527 /nfs/dbraw/zinc/91/75/27/996917527.db2.gz FKJUGBHXSREZIW-UHFFFAOYSA-N -1 0 337.734 3.747 20 0 EHADRM CC1(C)CN(C(=O)c2ccc(/C=C/C(=O)[O-])o2)c2ccc(Cl)cc21 ZINC001593936869 996923226 /nfs/dbraw/zinc/92/32/26/996923226.db2.gz ZMPNVZPGAMXMHL-VMPITWQZSA-N -1 0 345.782 3.969 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2ccc3sccc3c2)c1F ZINC001599490482 996929968 /nfs/dbraw/zinc/92/99/68/996929968.db2.gz RAYOGPVJHAUYJW-UHFFFAOYSA-N -1 0 345.351 4.000 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2ccc(F)c(C(F)F)c2)c1 ZINC001599490861 996936458 /nfs/dbraw/zinc/93/64/58/996936458.db2.gz YXCCHIGLLAEWFM-UHFFFAOYSA-N -1 0 339.269 3.722 20 0 EHADRM CC1(C)CN(Cc2nc3cc(C(=O)[O-])ccc3[nH]2)[C@H]1c1cccs1 ZINC001593944668 996979549 /nfs/dbraw/zinc/97/95/49/996979549.db2.gz ATSOIHZUBSMKTE-INIZCTEOSA-N -1 0 341.436 3.906 20 0 EHADRM COc1cc([C@@H](C)NCc2ncc(C(=O)[O-])s2)cc2ccccc21 ZINC001599388450 996987567 /nfs/dbraw/zinc/98/75/67/996987567.db2.gz CXJLNLSYCILCLD-LLVKDONJSA-N -1 0 342.420 3.854 20 0 EHADRM CC1(C)CO[C@H](CCC(=O)N2CCCCc3cc(C(=O)[O-])ccc32)C1 ZINC001593952631 997023530 /nfs/dbraw/zinc/02/35/30/997023530.db2.gz FGXRYFNHTCOSGC-MRXNPFEDSA-N -1 0 345.439 3.649 20 0 EHADRM COCC1(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)CCCCC1 ZINC001599187046 997046127 /nfs/dbraw/zinc/04/61/27/997046127.db2.gz JNBVUBGOBDKSGO-UHFFFAOYSA-N -1 0 343.782 3.713 20 0 EHADRM COc1cc(C)ccc1C(=O)N1CCCc2c(C(=O)[O-])ccc(C)c21 ZINC001599393856 997089031 /nfs/dbraw/zinc/08/90/31/997089031.db2.gz JZFYSEDZOQYLDB-UHFFFAOYSA-N -1 0 339.391 3.603 20 0 EHADRM CC1(C)Cc2occc2[C@@H](NCc2ccc(Cl)c(C(=O)[O-])n2)C1 ZINC001593968213 997117473 /nfs/dbraw/zinc/11/74/73/997117473.db2.gz CLNJYKFDWJOGBA-ZDUSSCGKSA-N -1 0 334.803 3.830 20 0 EHADRM COc1cc(C2(C(=O)Nc3cc(C(=O)[O-])sc3C)CC2)ccc1C ZINC001599395740 997123153 /nfs/dbraw/zinc/12/31/53/997123153.db2.gz YJGIBGXGFIVZKF-UHFFFAOYSA-N -1 0 345.420 3.742 20 0 EHADRM COCc1ccc(S[C@@H](C(=O)[O-])c2cc(OC)cc(OC)c2)cc1 ZINC001599295301 997130305 /nfs/dbraw/zinc/13/03/05/997130305.db2.gz UOZGBOPFFCOEEL-QGZVFWFLSA-N -1 0 348.420 3.768 20 0 EHADRM COc1ccc(C(=O)O[C@@H]2CCCc3cc(C(=O)[O-])ccc32)c(F)c1 ZINC001599504069 997181136 /nfs/dbraw/zinc/18/11/36/997181136.db2.gz QSXKEPPEAYXWNA-QGZVFWFLSA-N -1 0 344.338 3.767 20 0 EHADRM COCc1ccccc1/C=C(/C)COC(=O)c1ccc(C(=O)[O-])s1 ZINC001599298184 997185114 /nfs/dbraw/zinc/18/51/14/997185114.db2.gz VZWHYYPVBOZSGP-XFXZXTDPSA-N -1 0 346.404 3.853 20 0 EHADRM COc1ccc(C(C)(C)C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)cc1 ZINC001599504643 997191260 /nfs/dbraw/zinc/19/12/60/997191260.db2.gz UNVRFSLEDXAKHO-UHFFFAOYSA-N -1 0 349.333 3.588 20 0 EHADRM COC1(CNC(=O)c2cc(C(=O)[O-])ccc2Cl)CCCCCC1 ZINC001599091074 997192149 /nfs/dbraw/zinc/19/21/49/997192149.db2.gz GJQZMNRJOBZNFR-UHFFFAOYSA-N -1 0 339.819 3.507 20 0 EHADRM COc1cc(C=CC(=O)[O-])ccc1OCC(=O)c1ccc(C)c(C)c1 ZINC001599400105 997199456 /nfs/dbraw/zinc/19/94/56/997199456.db2.gz NUEXLXNLZRAAKX-TWGQIWQCSA-N -1 0 340.375 3.672 20 0 EHADRM COc1cc(CC(=O)Nc2cccc(C(=O)[O-])c2Cl)ccc1C ZINC001599401351 997220114 /nfs/dbraw/zinc/22/01/14/997220114.db2.gz AMWAZWZRRNVRNE-UHFFFAOYSA-N -1 0 333.771 3.536 20 0 EHADRM COc1ccc([C@H](C)N(C)C(=O)Nc2cccc(F)c2C(=O)[O-])cc1 ZINC001599507299 997233267 /nfs/dbraw/zinc/23/32/67/997233267.db2.gz LMQUSYIMLOGRMM-NSHDSACASA-N -1 0 346.358 3.757 20 0 EHADRM COc1ccc([C@@H](C)N(C)C(=O)Nc2cc(C(=O)[O-])sc2C)cc1 ZINC001599507512 997236232 /nfs/dbraw/zinc/23/62/32/997236232.db2.gz QVBKKUHVDBEJOI-SNVBAGLBSA-N -1 0 348.424 3.988 20 0 EHADRM COc1ccc([C@@H](C)COc2ccc(/C=C/C(=O)[O-])cc2OC)cc1 ZINC001599507728 997239970 /nfs/dbraw/zinc/23/99/70/997239970.db2.gz YHFLHCLQGXERII-GJIAFCOMSA-N -1 0 342.391 3.984 20 0 EHADRM COc1ccc([C@H](C)N[C@@H](C)c2ncc(C(=O)[O-])s2)cc1Cl ZINC001599508161 997249346 /nfs/dbraw/zinc/24/93/46/997249346.db2.gz CTCKJPBODJINHC-IUCAKERBSA-N -1 0 340.832 3.915 20 0 EHADRM C[C@@]1(CC(=O)Nc2cccc(CCC(=O)[O-])c2)CC1(Cl)Cl ZINC001593998054 997321180 /nfs/dbraw/zinc/32/11/80/997321180.db2.gz HNXIMQQGPFDGFK-CQSZACIVSA-N -1 0 330.211 3.616 20 0 EHADRM CON(C[C@@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001599317544 997526281 /nfs/dbraw/zinc/52/62/81/997526281.db2.gz OTOBGLISUDRQAS-NWDGAFQWSA-N -1 0 338.379 3.746 20 0 EHADRM COc1cc(COc2cnc(Cl)cc2C(=O)[O-])ccc1Cl ZINC001599417143 997530657 /nfs/dbraw/zinc/53/06/57/997530657.db2.gz QNHVOHZJZQTNCQ-UHFFFAOYSA-N -1 0 328.151 3.674 20 0 EHADRM COc1cc(Cl)cc(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)c1 ZINC001599420095 997579528 /nfs/dbraw/zinc/57/95/28/997579528.db2.gz XJQOXINLUJCSJA-UHFFFAOYSA-N -1 0 330.727 3.764 20 0 EHADRM CO[C@H]1CCC[C@H](CC(=O)Nc2ccc(Cl)cc2C(=O)[O-])C1 ZINC001599113449 997611468 /nfs/dbraw/zinc/61/14/68/997611468.db2.gz TZWRTZNITBGWEB-JQWIXIFHSA-N -1 0 325.792 3.572 20 0 EHADRM COCCC1(CNC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)CCCC1 ZINC001599219275 997637816 /nfs/dbraw/zinc/63/78/16/997637816.db2.gz YRKQPLCBZZMGFM-UHFFFAOYSA-N -1 0 348.443 3.720 20 0 EHADRM C[C@]1(Cc2ccc(Cl)c(F)c2)CCCN1c1nccc(C(=O)[O-])n1 ZINC001594040287 997655201 /nfs/dbraw/zinc/65/52/01/997655201.db2.gz ZMFBUILZCVIZSS-QGZVFWFLSA-N -1 0 349.793 3.569 20 0 EHADRM COc1ccc(C)c2c1N(C(=O)c1cc(C)cc(C(=O)[O-])c1)CCC2 ZINC001599533381 997699450 /nfs/dbraw/zinc/69/94/50/997699450.db2.gz CBDBNRAJRZQBCX-UHFFFAOYSA-N -1 0 339.391 3.603 20 0 EHADRM C[C@@]1(NC(=O)CCCc2ccccc2Cl)CCCC[C@H]1C(=O)[O-] ZINC001594052367 997756416 /nfs/dbraw/zinc/75/64/16/997756416.db2.gz GNLFLVXIGUFJQH-KBXCAEBGSA-N -1 0 337.847 3.812 20 0 EHADRM COc1ccc(C2(NC(=O)Nc3cc(C)cc(C(=O)[O-])c3)CC2)cc1 ZINC001599538472 997787844 /nfs/dbraw/zinc/78/78/44/997787844.db2.gz KCMSLPPBZMKNDP-UHFFFAOYSA-N -1 0 340.379 3.513 20 0 EHADRM COC(=O)c1cc(CSCc2ccccc2F)cc(C(=O)[O-])c1 ZINC001598934750 997842774 /nfs/dbraw/zinc/84/27/74/997842774.db2.gz QXQAWVHRZKKBME-UHFFFAOYSA-N -1 0 334.368 3.744 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NCCCCOc1ccc(Cl)cc1 ZINC000683320103 1016160167 /nfs/dbraw/zinc/16/01/67/1016160167.db2.gz NXDYADDKZLUEJC-UHFFFAOYSA-N -1 0 341.835 3.506 20 0 EHADRM COc1cc(NC(=O)N2CCC[C@@H]2c2cccs2)ccc1C(=O)[O-] ZINC001599435931 997845853 /nfs/dbraw/zinc/84/58/53/997845853.db2.gz RKMHTWKOOUASLC-CYBMUJFWSA-N -1 0 346.408 3.824 20 0 EHADRM COc1c(NC(=O)/C=C\c2ccc(Cl)cc2)cccc1C(=O)[O-] ZINC001599336967 997853823 /nfs/dbraw/zinc/85/38/23/997853823.db2.gz BMUIEFARHVIABG-YFHOEESVSA-N -1 0 331.755 3.699 20 0 EHADRM COc1cc(NC(=O)NC2(c3ccccc3)CCC2)ccc1C(=O)[O-] ZINC001599437270 997869744 /nfs/dbraw/zinc/86/97/44/997869744.db2.gz BZMQWRPDOQTSBW-UHFFFAOYSA-N -1 0 340.379 3.594 20 0 EHADRM COc1ccc(/C=C/C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)cc1 ZINC001599543229 997879415 /nfs/dbraw/zinc/87/94/15/997879415.db2.gz MOYIYLYNKHIQAJ-RUDMXATFSA-N -1 0 349.745 3.838 20 0 EHADRM CO[C@@H]1CCOc2c(NCCc3ccccc3C(=O)[O-])cccc21 ZINC001599127990 997886717 /nfs/dbraw/zinc/88/67/17/997886717.db2.gz OGFXYKUHHXDLHP-QGZVFWFLSA-N -1 0 327.380 3.509 20 0 EHADRM COc1c(NC(=O)N(C)[C@@H](C)C2CCCCC2)cccc1C(=O)[O-] ZINC001599338881 997886722 /nfs/dbraw/zinc/88/67/22/997886722.db2.gz YXRXDMOHOCHBMR-LBPRGKRZSA-N -1 0 334.416 3.826 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)/C=C\c1ccccc1F ZINC001599544509 997901650 /nfs/dbraw/zinc/90/16/50/997901650.db2.gz SQWBUJLANZDWDG-WAKDDQPJSA-N -1 0 342.322 3.551 20 0 EHADRM COc1cc(NC(=O)c2ccc(C)c(C(=O)[O-])c2)c2ccccc2n1 ZINC001599442185 997947354 /nfs/dbraw/zinc/94/73/54/997947354.db2.gz IXQCMSUGFCAAME-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM COc1c(N[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)ncnc1C(=O)[O-] ZINC001599342740 997948419 /nfs/dbraw/zinc/94/84/19/997948419.db2.gz FROHUZBKWGYILW-WCQYABFASA-N -1 0 347.802 3.585 20 0 EHADRM COc1cc(NC(=O)c2ccc(F)c(CSC)c2)ccc1C(=O)[O-] ZINC001599442780 997957339 /nfs/dbraw/zinc/95/73/39/997957339.db2.gz ZJQJNASBBFIPNY-UHFFFAOYSA-N -1 0 349.383 3.648 20 0 EHADRM COc1ccc(CC(=O)Nc2scc(C3CC3)c2C(=O)[O-])c(C)c1 ZINC001599548746 997969124 /nfs/dbraw/zinc/96/91/24/997969124.db2.gz PXEGBRUNBKQYDY-UHFFFAOYSA-N -1 0 345.420 3.822 20 0 EHADRM COc1c(N[C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)ncnc1C(=O)[O-] ZINC001599344030 997970874 /nfs/dbraw/zinc/97/08/74/997970874.db2.gz YUPGDBQMZGZNHI-WCQYABFASA-N -1 0 347.802 3.585 20 0 EHADRM COc1c(OC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)ccc2ccccc21 ZINC001599344845 997984349 /nfs/dbraw/zinc/98/43/49/997984349.db2.gz PJDPEIAOWDPIFC-KBPBESRZSA-N -1 0 328.364 3.645 20 0 EHADRM COc1cc(OC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)ccc1C(=O)[O-] ZINC001599445482 998001399 /nfs/dbraw/zinc/00/13/99/998001399.db2.gz ILDPUUHYTKZITF-HUUCEWRRSA-N -1 0 340.375 3.883 20 0 EHADRM COc1cc(OC(=O)[C@@H](C)CCc2ccc(F)cc2)ccc1C(=O)[O-] ZINC001599445781 998007896 /nfs/dbraw/zinc/00/78/96/998007896.db2.gz IIQXXDCWUSNYKQ-LBPRGKRZSA-N -1 0 346.354 3.707 20 0 EHADRM COc1cc(OC(=O)c2c(Cl)cccc2Cl)ccc1C(=O)[O-] ZINC001599448432 998048309 /nfs/dbraw/zinc/04/83/09/998048309.db2.gz YOWFBXJWCLZVAM-UHFFFAOYSA-N -1 0 341.146 3.919 20 0 EHADRM Cc1ccc([C@@H]2NC(=O)N(Cc3ccccc3)C(C)=C2C(=O)[O-])cc1 ZINC001594097678 998072305 /nfs/dbraw/zinc/07/23/05/998072305.db2.gz FEXVYEQCELMHQY-SFHVURJKSA-N -1 0 336.391 3.620 20 0 EHADRM COC(=O)c1cc(NCc2cc(C(=O)[O-])c(C(C)C)[nH]2)ccc1C ZINC001598947958 998092054 /nfs/dbraw/zinc/09/20/54/998092054.db2.gz DLYJQXGTFQIFND-UHFFFAOYSA-N -1 0 330.384 3.543 20 0 EHADRM CC1=C(C(=O)[O-])C[C@@H](CN2C[C@@H](c3ccccc3)c3ccccc32)O1 ZINC001594099909 998101882 /nfs/dbraw/zinc/10/18/82/998101882.db2.gz JNCUSSICDGKUDR-LPHOPBHVSA-N -1 0 335.403 3.786 20 0 EHADRM COc1cc(OC)cc([C@@H](Sc2ncc(C)cc2C)C(=O)[O-])c1 ZINC001599451382 998108779 /nfs/dbraw/zinc/10/87/79/998108779.db2.gz DDYNMQHSBQFRLI-OAHLLOKOSA-N -1 0 333.409 3.634 20 0 EHADRM COc1cc(C(=O)Nc2sccc2C(=O)[O-])ccc1OCC(C)C ZINC001599356286 998184630 /nfs/dbraw/zinc/18/46/30/998184630.db2.gz FFDHCIFQSZSLMA-UHFFFAOYSA-N -1 0 349.408 3.742 20 0 EHADRM COc1cc(OCc2cc(C(=O)[O-])cs2)ccc1Br ZINC001599456774 998201158 /nfs/dbraw/zinc/20/11/58/998201158.db2.gz IWLVPPMLZSTSOG-UHFFFAOYSA-N -1 0 343.198 3.796 20 0 EHADRM COc1cc(OCc2csc(-c3ccc(C)o3)n2)ccc1C(=O)[O-] ZINC001599456855 998202469 /nfs/dbraw/zinc/20/24/69/998202469.db2.gz KWCXHPHPGHMDDP-UHFFFAOYSA-N -1 0 345.376 3.997 20 0 EHADRM CC1=C[C@H](C)CN(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)C1 ZINC001594110601 998211170 /nfs/dbraw/zinc/21/11/70/998211170.db2.gz XSJTYYGXYXCBQI-QMMMGPOBSA-N -1 0 326.755 3.607 20 0 EHADRM CC1=C(C)C[C@@H](C(=O)N[C@H](Cc2cc3ccccc3o2)C(=O)[O-])CC1 ZINC001594110584 998211784 /nfs/dbraw/zinc/21/17/84/998211784.db2.gz WJSJUOFFOIOKRF-DOTOQJQBSA-N -1 0 341.407 3.681 20 0 EHADRM COC(=O)c1cc2cc(N[C@@H]3C[C@@H]4C[C@@H](C(=O)[O-])C[C@@H]34)ccc2s1 ZINC001598957510 998270126 /nfs/dbraw/zinc/27/01/26/998270126.db2.gz GUSFIOMGOHLROW-RMIQQSQVSA-N -1 0 345.420 3.599 20 0 EHADRM CCN(C(=O)c1cc(F)c([O-])c(F)c1)[C@@H](C)Cc1ccsc1 ZINC000275248893 1016204216 /nfs/dbraw/zinc/20/42/16/1016204216.db2.gz VIFZDYMAENPSRZ-JTQLQIEISA-N -1 0 325.380 3.825 20 0 EHADRM COc1ccc(CNC(=O)Nc2ccc(C3CC3)cc2)cc1C(=O)[O-] ZINC001599569551 998343011 /nfs/dbraw/zinc/34/30/11/998343011.db2.gz LJQUVUOBJIMNID-UHFFFAOYSA-N -1 0 340.379 3.593 20 0 EHADRM COc1ccc(CNC(=O)c2cccc(C3CCC3)c2)cc1C(=O)[O-] ZINC001599570714 998360436 /nfs/dbraw/zinc/36/04/36/998360436.db2.gz NTGXLQVKNSDPNV-UHFFFAOYSA-N -1 0 339.391 3.591 20 0 EHADRM COCCOc1cccc(OCc2c(Cl)cccc2C(=O)[O-])c1 ZINC001599260351 998374635 /nfs/dbraw/zinc/37/46/35/998374635.db2.gz NETXZLGQEJFBQU-UHFFFAOYSA-N -1 0 336.771 3.642 20 0 EHADRM C[C@@H]1[C@H](C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)[C@H]1c1ccccc1 ZINC001594136153 998376682 /nfs/dbraw/zinc/37/66/82/998376682.db2.gz MPQNDIVCHYEZLA-MNXTYGCHSA-N -1 0 341.382 3.507 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@@H]1c1cccs1 ZINC001599370701 998403488 /nfs/dbraw/zinc/40/34/88/998403488.db2.gz HRRQVMMEOLHOCZ-CYBMUJFWSA-N -1 0 346.408 3.824 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N1CCCC[C@@H]1CC1CCC1 ZINC001599371364 998414153 /nfs/dbraw/zinc/41/41/53/998414153.db2.gz POLULZMGLLZDLB-OAHLLOKOSA-N -1 0 346.427 3.970 20 0 EHADRM COc1ccc(CNc2nc3c(cccc3C)s2)cc1C(=O)[O-] ZINC001599574294 998416900 /nfs/dbraw/zinc/41/69/00/998416900.db2.gz DBVQEEPIVOLKTD-UHFFFAOYSA-N -1 0 328.393 3.924 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N(Cc1ccccc1)C1CC1 ZINC001599371937 998424896 /nfs/dbraw/zinc/42/48/96/998424896.db2.gz ZQOUAUVXKSEVLQ-UHFFFAOYSA-N -1 0 340.379 3.590 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)NCC1(C)CCCCCC1 ZINC001599373608 998451454 /nfs/dbraw/zinc/45/14/54/998451454.db2.gz PPIFHMJPLQPIMG-UHFFFAOYSA-N -1 0 334.416 3.875 20 0 EHADRM COCCc1ncc(CNc2cc3ccccc3c(C(=O)[O-])c2)s1 ZINC001599266364 998475232 /nfs/dbraw/zinc/47/52/32/998475232.db2.gz QWLISOBKXHGTFZ-UHFFFAOYSA-N -1 0 342.420 3.796 20 0 EHADRM COC[C@@H](CC(C)(C)C)NC(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001599162301 998479057 /nfs/dbraw/zinc/47/90/57/998479057.db2.gz YUZSMJGJYKFNDR-LLVKDONJSA-N -1 0 342.461 3.636 20 0 EHADRM Cc1nc(S(=O)(=O)[N-]c2ccc(Oc3cccc(C)c3)cc2)c[nH]1 ZINC000340077418 1016221807 /nfs/dbraw/zinc/22/18/07/1016221807.db2.gz SGAFGMXCXRBGIT-UHFFFAOYSA-N -1 0 343.408 3.620 20 0 EHADRM COC[C@H](CS[C@@H](C)CC(=O)[O-])c1ccc(Br)cc1 ZINC001599164547 998518465 /nfs/dbraw/zinc/51/84/65/998518465.db2.gz JVVQAEXRCSPWNO-CMPLNLGQSA-N -1 0 347.274 3.776 20 0 EHADRM C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccccc1C(=O)[O-] ZINC001594172686 998663144 /nfs/dbraw/zinc/66/31/44/998663144.db2.gz GEZSSVTYIIYIQP-ONGXEEELSA-N -1 0 330.306 3.580 20 0 EHADRM COC(=O)c1ccc(N[C@H]2CCC[C@H](CCCC(=O)[O-])C2)c(OC)c1 ZINC001598983251 998677509 /nfs/dbraw/zinc/67/75/09/998677509.db2.gz CXSYLQKBGPWUFF-HIFRSBDPSA-N -1 0 349.427 3.707 20 0 EHADRM Cc1ccc(CCC(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])cc1Cl ZINC000683332558 1016233737 /nfs/dbraw/zinc/23/37/37/1016233737.db2.gz GJOBXQGHWYMKFV-KBXCAEBGSA-N -1 0 337.847 3.731 20 0 EHADRM COC(=O)c1cccc([C@@H](SCc2ccccc2F)C(=O)[O-])c1 ZINC001598992614 998751131 /nfs/dbraw/zinc/75/11/31/998751131.db2.gz BBYNDNVBHRHZQT-OAHLLOKOSA-N -1 0 334.368 3.671 20 0 EHADRM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1C(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC001594205416 998788638 /nfs/dbraw/zinc/78/86/38/998788638.db2.gz CSJPVFDSJRZVEN-RKDXNWHRSA-N -1 0 347.308 3.558 20 0 EHADRM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1C(=O)c1ccnc2cc(Cl)ccc21 ZINC001594207616 998800718 /nfs/dbraw/zinc/80/07/18/998800718.db2.gz HDKUQRAEQPGGPT-GHMZBOCLSA-N -1 0 346.814 3.602 20 0 EHADRM C[C@@H]1CC(C)(C)c2cccc(NC(=O)N3C[C@@H](C)[C@H](C(=O)[O-])C3)c21 ZINC001594216706 998833503 /nfs/dbraw/zinc/83/35/03/998833503.db2.gz HEDQOFPOCJZSFX-JHJVBQTASA-N -1 0 330.428 3.656 20 0 EHADRM C[C@@H]1CC(C)(C)N(C(=O)c2csc(C(=O)[O-])n2)c2ccccc21 ZINC001594216800 998834125 /nfs/dbraw/zinc/83/41/25/998834125.db2.gz IYIZGGGNUACKAZ-SNVBAGLBSA-N -1 0 330.409 3.774 20 0 EHADRM C[C@@H]1CC(C)(C)c2cccc(NC(=O)Cc3ccc(C(=O)[O-])nc3)c21 ZINC001594217117 998836907 /nfs/dbraw/zinc/83/69/07/998836907.db2.gz OLADWPFJDXUKGF-GFCCVEGCSA-N -1 0 338.407 3.746 20 0 EHADRM C[C@@H]1C[C@H](CNC(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)[C@@H](C)O1 ZINC001594239656 998915520 /nfs/dbraw/zinc/91/55/20/998915520.db2.gz YBTBUGMOODVUAU-CKYFFXLPSA-N -1 0 348.424 3.535 20 0 EHADRM C[C@H]1CC(F)(F)CCN1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001594246302 998943728 /nfs/dbraw/zinc/94/37/28/998943728.db2.gz XATFZUQTSYILHR-QMMMGPOBSA-N -1 0 332.734 3.690 20 0 EHADRM O=C([O-])C1CC(C(=O)Nc2ccccc2Nc2ccc(F)cc2F)C1 ZINC000683340926 1016264321 /nfs/dbraw/zinc/26/43/21/1016264321.db2.gz INHMCOHKXCKSDR-UHFFFAOYSA-N -1 0 346.333 3.758 20 0 EHADRM CO[C@@H](C(=O)[O-])c1ccccc1OCc1ccccc1OC1CC1 ZINC001599025811 999015527 /nfs/dbraw/zinc/01/55/27/999015527.db2.gz GIHADBWQMKAOIK-GOSISDBHSA-N -1 0 328.364 3.579 20 0 EHADRM CO[C@H](C(=O)[O-])c1ccccc1OCc1cccc(OC(C)(C)C)n1 ZINC001599027413 999025736 /nfs/dbraw/zinc/02/57/36/999025736.db2.gz SQMGUKNQZPXXKE-KRWDZBQOSA-N -1 0 345.395 3.610 20 0 EHADRM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1ncc(C(=O)[O-])cc1Cl ZINC001594266469 999033877 /nfs/dbraw/zinc/03/38/77/999033877.db2.gz PBQGGGPRLODVES-MFKMUULPSA-N -1 0 334.778 3.955 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001594270104 999043973 /nfs/dbraw/zinc/04/39/73/999043973.db2.gz QDIRXRHWWUWIET-FHSNZYRGSA-N -1 0 341.382 3.931 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2ccc(/C=C\C(=O)[O-])o2)C1 ZINC001594270267 999044474 /nfs/dbraw/zinc/04/44/74/999044474.db2.gz RXLCBWWQPVDDND-LSCCZHGCSA-N -1 0 325.364 3.601 20 0 EHADRM COC(C)(C)[C@@H](C)NC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001599031425 999053450 /nfs/dbraw/zinc/05/34/50/999053450.db2.gz MNWDTCQKTYCWIC-SECBINFHSA-N -1 0 336.413 3.535 20 0 EHADRM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001594278367 999078001 /nfs/dbraw/zinc/07/80/01/999078001.db2.gz NZAWGCPAQFFBGR-GUYJKWIASA-N -1 0 348.468 3.667 20 0 EHADRM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001594278536 999079051 /nfs/dbraw/zinc/07/90/51/999079051.db2.gz PCKAPIUGTQDNEC-HZQMYPQZSA-N -1 0 340.782 3.591 20 0 EHADRM CO[C@](C)([C@H](C)Nc1nc(C)nc2sc(C(=O)[O-])c(C)c21)C1CC1 ZINC001599036134 999084796 /nfs/dbraw/zinc/08/47/96/999084796.db2.gz GUMORZYHIOXHFY-HUTHGQBESA-N -1 0 349.456 3.622 20 0 EHADRM C[C@@H]1CC[C@](C)(/C=C\C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)C1(C)C ZINC001594295401 999136251 /nfs/dbraw/zinc/13/62/51/999136251.db2.gz BDCZHLCNNRQYIK-VZSPBRLWSA-N -1 0 333.472 3.718 20 0 EHADRM C[C@@H]1CCC(F)(F)CN1C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001594307494 999187648 /nfs/dbraw/zinc/18/76/48/999187648.db2.gz ZNTQJGNTCZBVGL-DDTOSNHZSA-N -1 0 338.354 3.526 20 0 EHADRM C[C@@H]1CC[C@@H](NC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)[C@@H](C)C1 ZINC001594314124 999214048 /nfs/dbraw/zinc/21/40/48/999214048.db2.gz OICCNLXKAOEBRO-PWGAFSCYSA-N -1 0 330.428 3.821 20 0 EHADRM C[C@@H]1CC[C@@H](NC(=O)Nc2cc(C(=O)[O-])cc3cccnc32)C[C@H]1C ZINC001594315402 999221569 /nfs/dbraw/zinc/22/15/69/999221569.db2.gz XEOFMHBNFCVNCQ-LALPHHSUSA-N -1 0 341.411 3.879 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)c2ccc3c(c2)CCC3)(C(=O)[O-])c2ccccc21 ZINC001594321423 999235493 /nfs/dbraw/zinc/23/54/93/999235493.db2.gz DFKCRSIQIPMROC-FPTDNZKUSA-N -1 0 349.430 3.783 20 0 EHADRM CO[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC001599056838 999235805 /nfs/dbraw/zinc/23/58/05/999235805.db2.gz CESMBQVWYJHFSN-SFHVURJKSA-N -1 0 341.407 3.704 20 0 EHADRM C[C@H]1CCC[C@@H](CNC(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)O1 ZINC001594345316 999306144 /nfs/dbraw/zinc/30/61/44/999306144.db2.gz AADNQAQPCXVVAT-WFASDCNBSA-N -1 0 342.395 3.617 20 0 EHADRM C[C@@H]1CCC[C@H](CC(=O)Nc2sc3c(c2C(=O)[O-])CCOC3)C1 ZINC001594345430 999307130 /nfs/dbraw/zinc/30/71/30/999307130.db2.gz UYMFQQDMEBOYKV-MNOVXSKESA-N -1 0 337.441 3.674 20 0 EHADRM C[C@@H]1CCC[C@@H]1CC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001594357949 999353711 /nfs/dbraw/zinc/35/37/11/999353711.db2.gz RPAGXSKFCIHKLH-FRFSOERESA-N -1 0 329.440 3.747 20 0 EHADRM C[C@H]1CCC[C@@H]1CC(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC001594358024 999353996 /nfs/dbraw/zinc/35/39/96/999353996.db2.gz SKJPXIBSXLGVOF-DOTOQJQBSA-N -1 0 343.467 3.992 20 0 EHADRM C[C@@H]1CCC[C@]1(C)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC001594358253 999355260 /nfs/dbraw/zinc/35/52/60/999355260.db2.gz WKTNOPXJDSZROI-ODXCJYRJSA-N -1 0 340.423 3.577 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O ZINC001594363577 999372484 /nfs/dbraw/zinc/37/24/84/999372484.db2.gz HMMLYDVSWNOISK-NXEZZACHSA-N -1 0 325.792 3.899 20 0 EHADRM C[C@@H]1CCCC[C@@H]1C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC001594363923 999374176 /nfs/dbraw/zinc/37/41/76/999374176.db2.gz OQSLBBIIMACVNP-KOLCDFICSA-N -1 0 333.413 3.601 20 0 EHADRM C[C@H]1CCCC[C@@H]1NC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001594366780 999386049 /nfs/dbraw/zinc/38/60/49/999386049.db2.gz RJFIAJFDCUXLFT-LRDDRELGSA-N -1 0 344.411 3.551 20 0 EHADRM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-] ZINC001594370147 999394516 /nfs/dbraw/zinc/39/45/16/999394516.db2.gz DIQZJLICHLLIEC-NOZJJQNGSA-N -1 0 343.782 3.711 20 0 EHADRM C[C@@H]1CCCC[C@H]1OCC(=O)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001594370812 999397955 /nfs/dbraw/zinc/39/79/55/999397955.db2.gz MJHBLBGVGLOTNV-QMTHXVAHSA-N -1 0 326.776 3.539 20 0 EHADRM C[C@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)CCCC(=O)[O-] ZINC001594376348 999419703 /nfs/dbraw/zinc/41/97/03/999419703.db2.gz MMFYADDJGDJVDG-HNNXBMFYSA-N -1 0 344.455 3.600 20 0 EHADRM C[C@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)CC1 ZINC001594378711 999427767 /nfs/dbraw/zinc/42/77/67/999427767.db2.gz QTQSSIQLZBRSGT-AWEZNQCLSA-N -1 0 345.443 3.639 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)C[C@@H]1F ZINC001594406072 999520005 /nfs/dbraw/zinc/52/00/05/999520005.db2.gz RFPMNRDHILKQJL-KOLCDFICSA-N -1 0 340.420 3.537 20 0 EHADRM C[C@@H]1CCN(C)c2ccccc2N1Cc1cc(C(=O)[O-])ccc1F ZINC001594424836 999589830 /nfs/dbraw/zinc/58/98/30/999589830.db2.gz ZOWMXKSAWNVOCL-CYBMUJFWSA-N -1 0 328.387 3.759 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccco2)s1)N[C@H](c1cccs1)C1CC1 ZINC000510174435 1016335872 /nfs/dbraw/zinc/33/58/72/1016335872.db2.gz AARMFQJCSGCDHI-LBPRGKRZSA-N -1 0 346.437 3.554 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)NC[C@@H](CC3CCCC3)C(=O)[O-])cc2C1 ZINC001594450996 999649168 /nfs/dbraw/zinc/64/91/68/999649168.db2.gz RILZWYINDPZUDB-IUODEOHRSA-N -1 0 349.496 3.884 20 0 EHADRM C[C@H]1CN(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])CC(C)(C)C1 ZINC001594470028 999699976 /nfs/dbraw/zinc/69/99/76/999699976.db2.gz AAVRLUSZIYODOB-GDBMZVCRSA-N -1 0 346.471 3.916 20 0 EHADRM C[C@H](NC(=O)c1cc2ccc(F)cc2s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655574552 1016372133 /nfs/dbraw/zinc/37/21/33/1016372133.db2.gz UUPGSRLPKVCMSA-TVYUQYBPSA-N -1 0 349.427 3.906 20 0 EHADRM C[C@@H](CCC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655575288 1016374704 /nfs/dbraw/zinc/37/47/04/1016374704.db2.gz IEGOQKQFRNJIGM-NXNVCVFFSA-N -1 0 331.456 3.822 20 0 EHADRM COc1ccc(C)cc1[C@@H](C)NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000013468680 1016594787 /nfs/dbraw/zinc/59/47/87/1016594787.db2.gz QVIXZHDYFVEOEW-CQSZACIVSA-N -1 0 333.428 3.606 20 0 EHADRM CCOC(=O)c1cccc(NC(=O)CC2(C(=O)[O-])CCCCCC2)c1 ZINC000326780372 1016750553 /nfs/dbraw/zinc/75/05/53/1016750553.db2.gz UFIFRLDOUVIRKD-UHFFFAOYSA-N -1 0 347.411 3.617 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000659118126 1016889034 /nfs/dbraw/zinc/88/90/34/1016889034.db2.gz AEVINWXRZCZXMJ-UHFFFAOYSA-N -1 0 329.352 3.860 20 0 EHADRM Cc1cc(C(F)(F)F)ccc1CNC(=O)C1CCC(C(=O)[O-])CC1 ZINC000659759204 1016981099 /nfs/dbraw/zinc/98/10/99/1016981099.db2.gz PEWOCDCTVLDGMU-UHFFFAOYSA-N -1 0 343.345 3.521 20 0 EHADRM O=C([O-])C1CCC(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)CC1 ZINC000659760077 1016981893 /nfs/dbraw/zinc/98/18/93/1016981893.db2.gz ZHMCKWLQQIMCJJ-DQPZFDDXSA-N -1 0 333.403 3.770 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)Nc2ccc([C@H](C)CC(=O)[O-])cc2)c1 ZINC000181768244 1016985929 /nfs/dbraw/zinc/98/59/29/1016985929.db2.gz CPVWMPLHFKJVNI-CQSZACIVSA-N -1 0 347.436 3.682 20 0 EHADRM CCO[C@@H](C)c1nc(CN(CC2CC2)[C@@](C)(CC)C(=O)[O-])cs1 ZINC000659792506 1017022046 /nfs/dbraw/zinc/02/20/46/1017022046.db2.gz BBPOQDSNKGYQTM-SJCJKPOMSA-N -1 0 340.489 3.706 20 0 EHADRM Cc1ccc2c(c1Br)CN(Cc1occc1C(=O)[O-])C2 ZINC000659803703 1017045037 /nfs/dbraw/zinc/04/50/37/1017045037.db2.gz NDHNRLVIPCKINY-UHFFFAOYSA-N -1 0 336.185 3.565 20 0 EHADRM Clc1ccc2nc(CN=c3nc(C4CCCC4)[n-]s3)cn2c1 ZINC000584344306 1032161006 /nfs/dbraw/zinc/16/10/06/1032161006.db2.gz GEMDQZCZJXWQQL-UHFFFAOYSA-N -1 0 333.848 3.531 20 0 EHADRM C[C@H](NC(=O)c1cc(C(=O)[O-])co1)c1cccc(Cl)c1Cl ZINC000183794165 1032207613 /nfs/dbraw/zinc/20/76/13/1032207613.db2.gz GUMAAVAEFBAPQN-ZETCQYMHSA-N -1 0 328.151 3.776 20 0 EHADRM Cc1nc(C)c([N-]S(=O)(=O)c2cc(Cl)sc2Cl)s1 ZINC000080983641 1032236905 /nfs/dbraw/zinc/23/69/05/1032236905.db2.gz AIXSGKCHHACFTD-UHFFFAOYSA-N -1 0 343.282 3.929 20 0 EHADRM CC(C)[C@@H](NC(=O)N=c1nc(C(C)(C)C)[n-]s1)c1ccccc1 ZINC000584373582 1032256807 /nfs/dbraw/zinc/25/68/07/1032256807.db2.gz UVZWKNLKSJBVNB-CYBMUJFWSA-N -1 0 332.473 3.776 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2Br)o1 ZINC000461123741 1032282573 /nfs/dbraw/zinc/28/25/73/1032282573.db2.gz FKYVBSVZPQULKE-UHFFFAOYSA-N -1 0 344.230 3.768 20 0 EHADRM CC(C)(C)c1csc(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)n1 ZINC001213179251 1032288547 /nfs/dbraw/zinc/28/85/47/1032288547.db2.gz FYBVPAFETPFMPK-UHFFFAOYSA-N -1 0 347.440 3.988 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ncc(Cl)cc2C)c(Cl)c1 ZINC000461228291 1032331374 /nfs/dbraw/zinc/33/13/74/1032331374.db2.gz VVEHEYCIRQCQAH-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2ccccc2O)cc1Cl ZINC000184767126 1032334192 /nfs/dbraw/zinc/33/41/92/1032334192.db2.gz UGTOIQGYMQAXAQ-UHFFFAOYSA-N -1 0 329.830 3.568 20 0 EHADRM CCc1c(C)sc2[nH]c(-c3ccc(CCC(=O)[O-])cc3)nc(=O)c12 ZINC000055493451 1032335896 /nfs/dbraw/zinc/33/58/96/1032335896.db2.gz VFCVEKFNNZKBAN-UHFFFAOYSA-N -1 0 342.420 3.540 20 0 EHADRM Cc1cc(Cl)cnc1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000461219506 1032337652 /nfs/dbraw/zinc/33/76/52/1032337652.db2.gz MJIDLPXDUMTJDR-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1ccccc1COC(C)(C)C ZINC000905130680 1032358220 /nfs/dbraw/zinc/35/82/20/1032358220.db2.gz ICHLBDBSCQKURP-NEPJUHHUSA-N -1 0 339.457 3.535 20 0 EHADRM C[C@@H]1CCCC[C@H]1CC(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1 ZINC000538470416 1032393384 /nfs/dbraw/zinc/39/33/84/1032393384.db2.gz KXSIULSLQJLLKB-KGLIPLIRSA-N -1 0 328.412 3.881 20 0 EHADRM O=C([O-])c1ccc2nc(/C=C/c3ccc(-n4cncn4)cc3)sc2c1 ZINC000431549418 1032424601 /nfs/dbraw/zinc/42/46/01/1032424601.db2.gz HSMSZGWPLNWIHZ-FPYGCLRLSA-N -1 0 348.387 3.746 20 0 EHADRM CC[C@@](CNC(=O)C(C)(C)c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000263061781 1032427020 /nfs/dbraw/zinc/42/70/20/1032427020.db2.gz SDFYDMJNOSAAIA-NRFANRHFSA-N -1 0 339.435 3.513 20 0 EHADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000263085979 1032433862 /nfs/dbraw/zinc/43/38/62/1032433862.db2.gz DFMKPBWHZXKWOQ-BBRMVZONSA-N -1 0 349.858 3.765 20 0 EHADRM CCc1ccccc1C(=O)Nc1ccc(-c2nc(C)cc(=O)[nH]2)cc1 ZINC000118962799 1032479202 /nfs/dbraw/zinc/47/92/02/1032479202.db2.gz UZFXOSLGAFZNLR-UHFFFAOYSA-N -1 0 333.391 3.560 20 0 EHADRM CCCCn1ncc([N-]S(=O)(=O)c2cccc(C)c2Cl)c1C ZINC000537195109 1032553145 /nfs/dbraw/zinc/55/31/45/1032553145.db2.gz BJHKSKINXFBJOI-UHFFFAOYSA-N -1 0 341.864 3.754 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])CC2 ZINC000602014048 1032581007 /nfs/dbraw/zinc/58/10/07/1032581007.db2.gz WVSLJRWDIMMXCI-WQGACYEGSA-N -1 0 335.469 3.508 20 0 EHADRM CCCCOc1ccc(NC(=O)[C@H](C)S[C@H](C)C(=O)[O-])c(C)c1 ZINC000601989509 1032583631 /nfs/dbraw/zinc/58/36/31/1032583631.db2.gz WGGNFRVJAAHZSO-QWHCGFSZSA-N -1 0 339.457 3.707 20 0 EHADRM Cc1ccc(C)c([C@@H]2CCCN2C(=O)[C@@H](C)S[C@H](C)C(=O)[O-])c1 ZINC000601998745 1032586176 /nfs/dbraw/zinc/58/61/76/1032586176.db2.gz IMBJPLYZIFWSBF-FMKPAKJESA-N -1 0 335.469 3.562 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)[C@H](C)S[C@H](C)C(=O)[O-])cc1C ZINC000601994045 1032586805 /nfs/dbraw/zinc/58/68/05/1032586805.db2.gz LHGZSFXERMWZSN-LZWOXQAQSA-N -1 0 335.469 3.562 20 0 EHADRM CC(C)Nc1ccc(Cl)cc1NC(=O)[C@H](C)S[C@H](C)C(=O)[O-] ZINC000602003435 1032589447 /nfs/dbraw/zinc/58/94/47/1032589447.db2.gz HOYQJFXIVSBZJR-VHSXEESVSA-N -1 0 344.864 3.694 20 0 EHADRM CC(C)[C@@H]1C[C@H](NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])c2ccccc21 ZINC000602007630 1032592285 /nfs/dbraw/zinc/59/22/85/1032592285.db2.gz JSDHXJDVZJGUCU-APYUEPQZSA-N -1 0 335.469 3.582 20 0 EHADRM O=C([O-])[C@@H](CC(F)(F)F)NC(=O)c1cc2c(s1)CCCCCC2 ZINC000261879230 1032597903 /nfs/dbraw/zinc/59/79/03/1032597903.db2.gz MGVKGEXSQADKPI-SNVBAGLBSA-N -1 0 349.374 3.543 20 0 EHADRM C[C@@H](NC(=O)C[C@]1(C(=O)[O-])CCSC1)c1cc2ccccc2s1 ZINC000592983336 1032652990 /nfs/dbraw/zinc/65/29/90/1032652990.db2.gz XFNTUNQFZPIASS-PIGZYNQJSA-N -1 0 349.477 3.677 20 0 EHADRM O=C(Nc1cccc2cc[nH]c21)c1ccc(Br)c([O-])c1 ZINC000547862263 1017125102 /nfs/dbraw/zinc/12/51/02/1017125102.db2.gz UJDHABMKQVLTFU-UHFFFAOYSA-N -1 0 331.169 3.888 20 0 EHADRM CC[C@H]1CC[C@@H](C)N1C(=O)N=c1[n-]nc(-c2cc(F)ccc2C)s1 ZINC000471345436 1017135785 /nfs/dbraw/zinc/13/57/85/1017135785.db2.gz GMXSPSGVDBMDNR-YPMHNXCESA-N -1 0 348.447 3.869 20 0 EHADRM CC[C@@H]1[C@@H](C)CCN1C(=O)N=c1[n-]nc(-c2cc(F)ccc2C)s1 ZINC000471353748 1017171787 /nfs/dbraw/zinc/17/17/87/1017171787.db2.gz ODNCNMYDBYTKBY-SMDDNHRTSA-N -1 0 348.447 3.727 20 0 EHADRM CCCC1(C(=O)[N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2C)CC1 ZINC000761007213 1032686551 /nfs/dbraw/zinc/68/65/51/1032686551.db2.gz MFASIEDKLOKJSA-UHFFFAOYSA-N -1 0 337.485 3.678 20 0 EHADRM O=C(CCCc1ccc(O)c(F)c1)N[C@H](c1ccncc1)C1CC1 ZINC000890909326 1017324654 /nfs/dbraw/zinc/32/46/54/1017324654.db2.gz LWKNJUTXXAGUSJ-IBGZPJMESA-N -1 0 328.387 3.517 20 0 EHADRM Cc1cc(C)cc([C@H]2CCN(C(=O)c3cc(F)c([O-])c(F)c3)C2)c1 ZINC000183557989 1017349649 /nfs/dbraw/zinc/34/96/49/1017349649.db2.gz UOXSSBYVIAROHV-ZDUSSCGKSA-N -1 0 331.362 3.917 20 0 EHADRM CN(C)c1cccc([C@@H]2CCCN2C(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000183638974 1017357035 /nfs/dbraw/zinc/35/70/35/1017357035.db2.gz MANCLCGRJAPIST-KRWDZBQOSA-N -1 0 346.377 3.714 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CC[C@@]2(C1)CCCOC2 ZINC000377142614 1017365615 /nfs/dbraw/zinc/36/56/15/1017365615.db2.gz UUFBCCOCBOBUSR-LJQANCHMSA-N -1 0 345.826 3.842 20 0 EHADRM CCc1ccc(C(=O)[O-])cc1NCc1cnc([C@@H]2CCCO2)s1 ZINC000669474069 1032718571 /nfs/dbraw/zinc/71/85/71/1032718571.db2.gz IPCRYPCSZVEZGG-HNNXBMFYSA-N -1 0 332.425 3.867 20 0 EHADRM CC[C@@H](C(=O)[N-]O[C@@H]1CCCCO1)c1cccc(C(F)(F)F)c1 ZINC000175814346 1017783861 /nfs/dbraw/zinc/78/38/61/1017783861.db2.gz BKTPKBNWBIIESL-ZIAGYGMSSA-N -1 0 331.334 3.773 20 0 EHADRM C/C(=C\c1ccccc1Cl)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000761375680 1032724056 /nfs/dbraw/zinc/72/40/56/1032724056.db2.gz HWQISWAPCONSDA-ZRDIBKRKSA-N -1 0 329.783 3.758 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000314095077 1017828660 /nfs/dbraw/zinc/82/86/60/1017828660.db2.gz AHCRAKNCZDOXDI-UHFFFAOYSA-N -1 0 338.713 3.687 20 0 EHADRM CCC[C@H](C)OC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000748122460 1017842710 /nfs/dbraw/zinc/84/27/10/1017842710.db2.gz MJVJPAZJBVRBOI-VIFPVBQESA-N -1 0 338.201 3.636 20 0 EHADRM CN(C(=O)Nc1ccc(C(=O)[O-])cc1Br)C1CCCC1 ZINC000071393836 1017974945 /nfs/dbraw/zinc/97/49/45/1017974945.db2.gz CBYZAQJSKPZODT-UHFFFAOYSA-N -1 0 341.205 3.554 20 0 EHADRM Cc1cc(Nc2ncc(Br)cc2F)ccc1C(=O)[O-] ZINC001211650191 1018047899 /nfs/dbraw/zinc/04/78/99/1018047899.db2.gz UUPUNSOXFCMQTM-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM COc1ccc(OCC(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc1 ZINC000006470189 1018054525 /nfs/dbraw/zinc/05/45/25/1018054525.db2.gz VLCOUIUMZUYOOH-UHFFFAOYSA-N -1 0 342.178 3.725 20 0 EHADRM Cc1csc(Sc2ccc(NC(=O)[C@@H](C)C(=O)[O-])c(C)c2)n1 ZINC000584533340 1018097435 /nfs/dbraw/zinc/09/74/35/1018097435.db2.gz XHHQYADQMJTOOB-SNVBAGLBSA-N -1 0 336.438 3.570 20 0 EHADRM COc1c(C)ccc([N-]S(=O)(=O)c2ccccc2Cl)c1C ZINC000031722652 1032754368 /nfs/dbraw/zinc/75/43/68/1032754368.db2.gz PFMSOHSWMGERCS-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM CCc1csc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)n1 ZINC000471505205 1018398144 /nfs/dbraw/zinc/39/81/44/1018398144.db2.gz XMGQJITVPHMKCH-UHFFFAOYSA-N -1 0 334.825 3.607 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2cccc(CCC(F)(F)F)c2)CC=CCC1 ZINC000653299850 1018498145 /nfs/dbraw/zinc/49/81/45/1018498145.db2.gz GBIYFSTZFDTGCK-MRXNPFEDSA-N -1 0 341.329 3.931 20 0 EHADRM CCC(CC)(CC(=O)Nc1c(F)cccc1Br)C(=O)[O-] ZINC000083936862 1018535420 /nfs/dbraw/zinc/53/54/20/1018535420.db2.gz REFMLOCELAORPT-UHFFFAOYSA-N -1 0 346.196 3.808 20 0 EHADRM CN(C(=O)Nc1ncc(-c2ccccc2)s1)C1(C(=O)[O-])CCCC1 ZINC000580148421 1018708027 /nfs/dbraw/zinc/70/80/27/1018708027.db2.gz OLWOACVUVQYATK-UHFFFAOYSA-N -1 0 345.424 3.671 20 0 EHADRM CCOc1cc(-c2ccccc2)sc1C(=O)NCCCCC(=O)[O-] ZINC000237067032 1018958241 /nfs/dbraw/zinc/95/82/41/1018958241.db2.gz UVYPZUCPEFEDCA-UHFFFAOYSA-N -1 0 347.436 3.799 20 0 EHADRM COC(=O)c1cc(N)c(Nc2cc(Cl)c([O-])c(Cl)c2)s1 ZINC001210924901 1019055012 /nfs/dbraw/zinc/05/50/12/1019055012.db2.gz WSUVAFODOVQBGY-UHFFFAOYSA-N -1 0 333.196 3.873 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)n[nH]c1C(C)C ZINC000656182978 1019089477 /nfs/dbraw/zinc/08/94/77/1019089477.db2.gz GLWYCXATVXIJAX-UHFFFAOYSA-N -1 0 327.837 3.604 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nnc(C(C)(C)C)s2)ccc1Cl ZINC000656182357 1019097377 /nfs/dbraw/zinc/09/73/77/1019097377.db2.gz DMZMAYLWLICCLE-UHFFFAOYSA-N -1 0 345.877 3.598 20 0 EHADRM Cc1ccc(NCc2cnn(-c3ccc(F)cc3)c2)cc1C(=O)[O-] ZINC000340674768 1019154742 /nfs/dbraw/zinc/15/47/42/1019154742.db2.gz LUNKLVPFDMSLRY-UHFFFAOYSA-N -1 0 325.343 3.630 20 0 EHADRM C[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2Cl)CC2(CCCCC2)O1 ZINC000656191835 1019168985 /nfs/dbraw/zinc/16/89/85/1019168985.db2.gz BUTYTBNAIDTEPO-CYBMUJFWSA-N -1 0 337.847 3.962 20 0 EHADRM CC(C)c1ccccc1NC1([P@@](=O)([O-])O)Cc2ccccc2C1 ZINC001167936061 1019212490 /nfs/dbraw/zinc/21/24/90/1019212490.db2.gz HCWUULWUAOEHQV-UHFFFAOYSA-N -1 0 331.352 3.895 20 0 EHADRM Cc1nc2ccc([N-]S(=O)(=O)c3c(F)cccc3Cl)cc2o1 ZINC000125435091 1019279322 /nfs/dbraw/zinc/27/93/22/1019279322.db2.gz KMFWKFHVXPDDEA-UHFFFAOYSA-N -1 0 340.763 3.730 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N[C@@]2(C)CCCC[C@@H]2C)n1 ZINC001625864754 1019328115 /nfs/dbraw/zinc/32/81/15/1019328115.db2.gz ZNPCKBVWTSFYDQ-XOBRGWDASA-N -1 0 341.455 3.839 20 0 EHADRM Cc1c(NCc2c[nH]nc2-c2ccc(F)cc2)cccc1C(=O)[O-] ZINC000340696077 1019414161 /nfs/dbraw/zinc/41/41/61/1019414161.db2.gz HGQOORDQQVSMDT-UHFFFAOYSA-N -1 0 325.343 3.835 20 0 EHADRM CCC[C@H](NC(=O)[C@H]1CC[C@@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000262146692 1019548162 /nfs/dbraw/zinc/54/81/62/1019548162.db2.gz OYLQBZMWGRKTGQ-IHRRRGAJSA-N -1 0 343.345 3.774 20 0 EHADRM CN(C(=O)[C@H]1CC[C@@H]1C(=O)[O-])c1ccc(Oc2ccccc2)cc1 ZINC000262160269 1019551428 /nfs/dbraw/zinc/55/14/28/1019551428.db2.gz PUEPROBPVGNMOP-IRXDYDNUSA-N -1 0 325.364 3.553 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(C)c(Br)c2)c(C)o1 ZINC000345101377 1019610362 /nfs/dbraw/zinc/61/03/62/1019610362.db2.gz YSSNUKLJCQREBE-UHFFFAOYSA-N -1 0 344.230 3.768 20 0 EHADRM CC1(C(=O)[N-]S(=O)(=O)c2cccc3ccccc32)CCCCC1 ZINC000408489011 1019644337 /nfs/dbraw/zinc/64/43/37/1019644337.db2.gz OXOBZLPTEDZZDW-UHFFFAOYSA-N -1 0 331.437 3.615 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)/C=C/c1cccc(OC2CCCC2)c1 ZINC000237120097 1019656011 /nfs/dbraw/zinc/65/60/11/1019656011.db2.gz UKCMAPAXOKHBMU-YVNCXZRQSA-N -1 0 345.439 3.781 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@]23C[C@@H]2CCCC3)ccc1Br ZINC000693245313 1019679553 /nfs/dbraw/zinc/67/95/53/1019679553.db2.gz SOIBWNKUYKXBLV-VFZGTOFNSA-N -1 0 338.201 3.666 20 0 EHADRM C[C@H](Oc1ccccc1NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1ccccc1 ZINC000262683694 1019706963 /nfs/dbraw/zinc/70/69/63/1019706963.db2.gz XLGAKUAKYVABQF-NUEKZKHPSA-N -1 0 339.391 3.876 20 0 EHADRM O=C(Nc1c(=O)[nH][n-]c1-c1ccccc1)c1cc(F)cc(Cl)c1 ZINC000647826755 1019708035 /nfs/dbraw/zinc/70/80/35/1019708035.db2.gz WDNJJNSFSPUNRL-UHFFFAOYSA-N -1 0 331.734 3.827 20 0 EHADRM CC(C)[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)c1cccc(Cl)c1 ZINC000262894416 1019759041 /nfs/dbraw/zinc/75/90/41/1019759041.db2.gz HRMCUNLLAZOVDE-RCBQFDQVSA-N -1 0 337.847 3.649 20 0 EHADRM COc1cccc([C@H](C)CC(=O)Nc2ccc(C(=O)[O-])cc2OC)c1 ZINC000262972575 1019778840 /nfs/dbraw/zinc/77/88/40/1019778840.db2.gz OSTNFHHFXOCSSM-GFCCVEGCSA-N -1 0 343.379 3.534 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC000262968418 1019780878 /nfs/dbraw/zinc/78/08/78/1019780878.db2.gz OMTGVIRFMQPSBB-GFCCVEGCSA-N -1 0 343.379 3.534 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000262985549 1019781330 /nfs/dbraw/zinc/78/13/30/1019781330.db2.gz JVRGSXHGWTWCOI-GJZGRUSLSA-N -1 0 341.407 3.521 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccc(C(=O)[O-])c(C)n2)o1 ZINC000263321489 1019872083 /nfs/dbraw/zinc/87/20/83/1019872083.db2.gz IZFSYNUHZAALQA-BZNIZROVSA-N -1 0 342.395 3.603 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cccc([C@H]2CCOC2)c1 ZINC000263329099 1019873668 /nfs/dbraw/zinc/87/36/68/1019873668.db2.gz LLRPCSFXOCUUKB-INIZCTEOSA-N -1 0 339.391 3.758 20 0 EHADRM O=C([O-])c1ccccc1-c1ccccc1C(=O)NC1CCSCC1 ZINC000263463351 1019909829 /nfs/dbraw/zinc/90/98/29/1019909829.db2.gz WDLDPETXESTWNK-UHFFFAOYSA-N -1 0 341.432 3.677 20 0 EHADRM COc1ccc(-c2cc(C(=O)NC[C@@H](C)CC(=O)[O-])sc2C)cc1 ZINC000263516100 1019922086 /nfs/dbraw/zinc/92/20/86/1019922086.db2.gz DRSDRAREFMECDM-NSHDSACASA-N -1 0 347.436 3.573 20 0 EHADRM CSc1c(F)cc(NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1F ZINC000345115446 1019959995 /nfs/dbraw/zinc/95/99/95/1019959995.db2.gz VFWRQEZCVXZKDT-UHFFFAOYSA-N -1 0 346.358 3.781 20 0 EHADRM C[C@@H]1CN(C(=O)C2CCC(c3ccccc3)CC2)C[C@@]1(C)C(=O)[O-] ZINC000580776441 1019999005 /nfs/dbraw/zinc/99/90/05/1019999005.db2.gz TTWSCGBOKIMGJK-SPTDJYCLSA-N -1 0 329.440 3.530 20 0 EHADRM COc1ccc([C@@H](NC(=O)CC2CCC(C(=O)[O-])CC2)C2CC2)cc1 ZINC000580776085 1019999437 /nfs/dbraw/zinc/99/94/37/1019999437.db2.gz LTXDJMOXXGHAEZ-ZVYVSMAVSA-N -1 0 345.439 3.544 20 0 EHADRM CC(C)(C(=O)[O-])C(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000580774502 1020002939 /nfs/dbraw/zinc/00/29/39/1020002939.db2.gz SRPUGVUWKDABBX-WCQYABFASA-N -1 0 343.345 3.569 20 0 EHADRM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(F)cc1[O-] ZINC000123191391 1020073200 /nfs/dbraw/zinc/07/32/00/1020073200.db2.gz MEIMQYUCSFCXIR-UHFFFAOYSA-N -1 0 327.277 3.822 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N(CCCCO)C1CC1 ZINC000093244329 1032889649 /nfs/dbraw/zinc/88/96/49/1032889649.db2.gz GKFZPFNAKJRKGQ-UHFFFAOYSA-N -1 0 333.815 3.576 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cncnc1-c1ccccc1 ZINC000345576198 1020370619 /nfs/dbraw/zinc/37/06/19/1020370619.db2.gz ACLHQFGWXYXJKE-UHFFFAOYSA-N -1 0 343.745 3.894 20 0 EHADRM CCCOc1nc(C)ccc1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000345609860 1020384660 /nfs/dbraw/zinc/38/46/60/1020384660.db2.gz PVWQLDBYIGJGEE-UHFFFAOYSA-N -1 0 338.766 3.929 20 0 EHADRM CCn1ncc2cc(C(=O)Nc3cc(Cl)c([O-])cc3F)c(C)nc21 ZINC000345616764 1020389527 /nfs/dbraw/zinc/38/95/27/1020389527.db2.gz DKJJPTJYTCBAFB-UHFFFAOYSA-N -1 0 348.765 3.510 20 0 EHADRM CC[C@H](C)n1ncc(C(=O)Nc2cc(Cl)c([O-])cc2F)c1C ZINC000345621038 1020414588 /nfs/dbraw/zinc/41/45/88/1020414588.db2.gz JAVGTISSJXNKNT-QMMMGPOBSA-N -1 0 325.771 3.913 20 0 EHADRM O=C(CSCc1cscn1)Nc1cc(Cl)c([O-])cc1F ZINC000345696656 1020439125 /nfs/dbraw/zinc/43/91/25/1020439125.db2.gz WLOYXLLZHFXLIR-UHFFFAOYSA-N -1 0 332.809 3.513 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCSc1ccccc1Cl ZINC000263504422 1020449738 /nfs/dbraw/zinc/44/97/38/1020449738.db2.gz LPTFPXLIJXWIPI-RYUDHWBXSA-N -1 0 341.860 3.534 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)N([C@H](C)C(=O)[O-])C1CCC1 ZINC000581169159 1020500266 /nfs/dbraw/zinc/50/02/66/1020500266.db2.gz ZUJONUMTWAOZJG-CHWSQXEVSA-N -1 0 344.411 3.839 20 0 EHADRM CCCn1ccc2cc(NC(=O)N3CCC[C@H](CC(=O)[O-])C3)ccc21 ZINC000581299971 1020650238 /nfs/dbraw/zinc/65/02/38/1020650238.db2.gz XYPHPOFUXIFUQG-CQSZACIVSA-N -1 0 343.427 3.770 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)NCc1ccc(-c2cccs2)cc1 ZINC000656485796 1020707568 /nfs/dbraw/zinc/70/75/68/1020707568.db2.gz HCBWSGUEQIDWDR-JKSUJKDBSA-N -1 0 341.432 3.698 20 0 EHADRM CCCc1nc(=NC(=O)N2CCC[C@H]2c2ccc(C)c(C)c2)s[n-]1 ZINC000581398269 1020800480 /nfs/dbraw/zinc/80/04/80/1020800480.db2.gz FTXIPBZJAOGZFA-HNNXBMFYSA-N -1 0 344.484 3.898 20 0 EHADRM O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)c1c([O-])cc(F)cc1F ZINC000089882177 1020825720 /nfs/dbraw/zinc/82/57/20/1020825720.db2.gz SKGFMAMJEJNPQQ-UHFFFAOYSA-N -1 0 339.248 3.737 20 0 EHADRM CC(C)c1scnc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000341085796 1020961670 /nfs/dbraw/zinc/96/16/70/1020961670.db2.gz FNESOAVPVORUAW-UHFFFAOYSA-N -1 0 333.438 3.616 20 0 EHADRM C/C=C\C[C@H](NC(=O)Nc1ccc(OCCC(C)C)cc1)C(=O)[O-] ZINC000581526467 1021057750 /nfs/dbraw/zinc/05/77/50/1021057750.db2.gz RPRRTASUZWSSEA-AWFCHZOYSA-N -1 0 334.416 3.652 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000341203676 1021093702 /nfs/dbraw/zinc/09/37/02/1021093702.db2.gz ZUYWNODFXYSZMD-UHFFFAOYSA-N -1 0 327.771 3.736 20 0 EHADRM C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000760428254 1032953902 /nfs/dbraw/zinc/95/39/02/1032953902.db2.gz ZIOSMRCLRQYXFQ-ZETCQYMHSA-N -1 0 349.214 3.551 20 0 EHADRM CC(C)(NC(=O)c1cc(F)c([O-])c(Cl)c1)c1ccccc1F ZINC000436780981 1021209119 /nfs/dbraw/zinc/20/91/19/1021209119.db2.gz RNWHZWJFZWSASX-UHFFFAOYSA-N -1 0 325.742 3.989 20 0 EHADRM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2cc(C(C)C)[nH]n2)c1 ZINC000656727898 1021214149 /nfs/dbraw/zinc/21/41/49/1021214149.db2.gz MFXPOIPFSSIKLP-LBPRGKRZSA-N -1 0 337.445 3.511 20 0 EHADRM CC(C)CC[C@H]1CCCN1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000427208548 1021217118 /nfs/dbraw/zinc/21/71/18/1021217118.db2.gz GIXBYTFIXOIPFV-CQSZACIVSA-N -1 0 345.418 3.758 20 0 EHADRM CC(C)c1ccc(O[C@H](C)CNC(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000436769514 1021219154 /nfs/dbraw/zinc/21/91/54/1021219154.db2.gz JZKAHPMQZSMPSY-GFCCVEGCSA-N -1 0 349.377 3.991 20 0 EHADRM O=C(N[C@H]1C[C@H](c2ccccc2Cl)C1)c1cc(F)c([O-])c(F)c1 ZINC000436783286 1021225499 /nfs/dbraw/zinc/22/54/99/1021225499.db2.gz GJJAPUREXLOMCO-HOMQSWHASA-N -1 0 337.753 4.000 20 0 EHADRM CC(C)CCc1nnc([N-]S(=O)(=O)c2ccccc2Cl)s1 ZINC000656736607 1021229035 /nfs/dbraw/zinc/22/90/35/1021229035.db2.gz JMKAQOIGUWAMLJ-UHFFFAOYSA-N -1 0 345.877 3.581 20 0 EHADRM O=C([O-])[C@H]1CC[C@@H]1C(=O)Nc1ccccc1Oc1cccc(F)c1 ZINC000507399726 1021240451 /nfs/dbraw/zinc/24/04/51/1021240451.db2.gz FNSHZJFCKMMIQZ-KBPBESRZSA-N -1 0 329.327 3.667 20 0 EHADRM O=C(c1ncccc1[O-])N1CCc2cc(-c3cccc(F)c3)ccc21 ZINC000427236053 1021243856 /nfs/dbraw/zinc/24/38/56/1021243856.db2.gz CQVYEEWIHHXAPY-UHFFFAOYSA-N -1 0 334.350 3.796 20 0 EHADRM Cc1oc2ccccc2c1CCNC(=O)c1cc(F)c([O-])c(F)c1 ZINC000436803353 1021251113 /nfs/dbraw/zinc/25/11/13/1021251113.db2.gz JPDFJUNGLMNLOZ-UHFFFAOYSA-N -1 0 331.318 3.698 20 0 EHADRM CCOC(=O)CC[C@H](C)Sc1n[n-]c(=NC2CCCCC2)s1 ZINC000550014117 1021257050 /nfs/dbraw/zinc/25/70/50/1021257050.db2.gz VAPXRIIJCATEHZ-NSHDSACASA-N -1 0 343.518 3.529 20 0 EHADRM O=C(Nc1csc(-c2ccccn2)n1)c1ccc(Cl)cc1[O-] ZINC000436830023 1021263161 /nfs/dbraw/zinc/26/31/61/1021263161.db2.gz CFOURTNTIXIEBP-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM CCc1ccc(C(=O)Nc2cc(OC)ccc2OC(F)F)c(O)c1 ZINC000436822010 1021272922 /nfs/dbraw/zinc/27/29/22/1021272922.db2.gz ZFLKXDLITCTXMV-UHFFFAOYSA-N -1 0 337.322 3.817 20 0 EHADRM O=C(N[C@@H]1CCCc2occc21)c1cc(Br)ccc1O ZINC000436840905 1021284569 /nfs/dbraw/zinc/28/45/69/1021284569.db2.gz XWBJIPBBKUZEAW-GFCCVEGCSA-N -1 0 336.185 3.555 20 0 EHADRM Cc1ccsc1CNC(=O)c1cc(F)cc(Br)c1[O-] ZINC000436848447 1021294293 /nfs/dbraw/zinc/29/42/93/1021294293.db2.gz OQABZMOQWNSURQ-UHFFFAOYSA-N -1 0 344.205 3.594 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c1 ZINC000436860494 1021297576 /nfs/dbraw/zinc/29/75/76/1021297576.db2.gz HBBCKJFAVFQVRT-UONOGXRCSA-N -1 0 329.783 3.990 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)c1 ZINC000436868719 1021309122 /nfs/dbraw/zinc/30/91/22/1021309122.db2.gz IIMOKIWZGPLROX-GXTWGEPZSA-N -1 0 331.318 3.615 20 0 EHADRM CC(C)C[C@@H]1CCCN1C(=O)c1cccc(Br)c1[O-] ZINC000518574301 1021331738 /nfs/dbraw/zinc/33/17/38/1021331738.db2.gz APSQZQTXCIGZLD-NSHDSACASA-N -1 0 326.234 3.805 20 0 EHADRM CN(CC(C)(C)C)C(=O)N=c1[n-]nc(C(C)(C)c2ccccc2)s1 ZINC000518579274 1021335920 /nfs/dbraw/zinc/33/59/20/1021335920.db2.gz NQJUOMWJFPOXKJ-UHFFFAOYSA-N -1 0 346.500 3.796 20 0 EHADRM Cc1cn(-c2ccccc2)nc1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000436905998 1021350941 /nfs/dbraw/zinc/35/09/41/1021350941.db2.gz IRFKLGYVQPQDBE-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM CCC(CC)[C@@H]1C[C@@H](NC(=O)c2cc(F)cc(Cl)c2[O-])CCO1 ZINC000436907638 1021353124 /nfs/dbraw/zinc/35/31/24/1021353124.db2.gz GGKADFHSODPXOK-WFASDCNBSA-N -1 0 343.826 3.898 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCc2c1c(F)ccc2F ZINC000436901563 1021366464 /nfs/dbraw/zinc/36/64/64/1021366464.db2.gz BVZPTARWJPBTEF-UHFFFAOYSA-N -1 0 327.689 3.666 20 0 EHADRM Cn1cnc2cc(-c3noc(-c4ccc(Cl)cc4[O-])n3)ccc21 ZINC000436932394 1021369409 /nfs/dbraw/zinc/36/94/09/1021369409.db2.gz PDMNJZOBLUERDA-UHFFFAOYSA-N -1 0 326.743 3.649 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2CC[C@H](c3ccccc3)C[C@H]2C)s1 ZINC000439342927 1021373251 /nfs/dbraw/zinc/37/32/51/1021373251.db2.gz HZMCJOHAFAGHAR-HIFRSBDPSA-N -1 0 344.484 3.713 20 0 EHADRM O=C(NCCCCc1ccc(F)c(F)c1)c1cc(F)c([O-])c(F)c1 ZINC000436954544 1021419050 /nfs/dbraw/zinc/41/90/50/1021419050.db2.gz WZKGPVZEKKSIRL-UHFFFAOYSA-N -1 0 341.304 3.701 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000436971733 1021426228 /nfs/dbraw/zinc/42/62/28/1021426228.db2.gz KSUDTJBVAOGQAT-UHFFFAOYSA-N -1 0 344.773 3.865 20 0 EHADRM CCSc1nccnc1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000436995799 1021452593 /nfs/dbraw/zinc/45/25/93/1021452593.db2.gz FBFDCUWZJCENJD-UHFFFAOYSA-N -1 0 344.223 3.853 20 0 EHADRM Cc1ccc(F)cc1-c1nnc(NC(=O)c2c([O-])cccc2F)s1 ZINC000436984537 1021457554 /nfs/dbraw/zinc/45/75/54/1021457554.db2.gz BYCCMMRIQIPQIW-UHFFFAOYSA-N -1 0 347.346 3.750 20 0 EHADRM Cc1cccc(CN(Cc2ccco2)C(=O)C(=O)c2ccc(O)cc2)c1 ZINC000437003508 1021460482 /nfs/dbraw/zinc/46/04/82/1021460482.db2.gz JTKCSURHYHNJMI-UHFFFAOYSA-N -1 0 349.386 3.705 20 0 EHADRM CC(C)Oc1ccc(CNC(=O)c2cc(F)c([O-])c(Cl)c2)cc1 ZINC000437000766 1021470250 /nfs/dbraw/zinc/47/02/50/1021470250.db2.gz BABOBGHLILOMAJ-UHFFFAOYSA-N -1 0 337.778 3.902 20 0 EHADRM CCn1c2cc(F)ccc2nc1NC(=O)c1ccc([O-])c(Cl)c1 ZINC000437000473 1021471653 /nfs/dbraw/zinc/47/16/53/1021471653.db2.gz UHCLIFVIVPMTHB-UHFFFAOYSA-N -1 0 333.750 3.807 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2Cc3ccccc3S2)cc1C ZINC000077943111 1021495504 /nfs/dbraw/zinc/49/55/04/1021495504.db2.gz YEWZMLATXOERTR-MRXNPFEDSA-N -1 0 347.461 3.666 20 0 EHADRM C[C@@H]1CCCC[C@H]1CC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000518761625 1021527857 /nfs/dbraw/zinc/52/78/57/1021527857.db2.gz SABVBWAFMTUWAV-NEPJUHHUSA-N -1 0 333.457 3.572 20 0 EHADRM COCc1nc(=NC(c2cccc(C)c2)c2cccc(C)c2)s[n-]1 ZINC000439598786 1021574231 /nfs/dbraw/zinc/57/42/31/1021574231.db2.gz SXXKSOSANCHIGR-UHFFFAOYSA-N -1 0 339.464 3.925 20 0 EHADRM CCCN(C(=O)c1cccc(C(=O)N(CCC)C(C)C)c1[O-])C(C)C ZINC000519620082 1021576251 /nfs/dbraw/zinc/57/62/51/1021576251.db2.gz XNLUENBZGGKKSG-UHFFFAOYSA-N -1 0 348.487 3.913 20 0 EHADRM CCC[C@@H]1CCC[C@@H]1C(=O)N[C@H](CC(=O)[O-])c1cccc(OC)c1 ZINC000518797130 1021578397 /nfs/dbraw/zinc/57/83/97/1021578397.db2.gz KQQUJZWMEJTBHR-XOKHGSTOSA-N -1 0 333.428 3.544 20 0 EHADRM CCCCC1CCC(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)CC1 ZINC000439709939 1021654550 /nfs/dbraw/zinc/65/45/50/1021654550.db2.gz NJYHUYZMRLBBIF-UHFFFAOYSA-N -1 0 335.448 3.638 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ncc(C(C)(C)C)s2)cc1F ZINC000437303749 1021714894 /nfs/dbraw/zinc/71/48/94/1021714894.db2.gz KMYRLUXXPHDRPR-UHFFFAOYSA-N -1 0 328.434 3.689 20 0 EHADRM CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)C[C@H](C)CCC ZINC000548217292 1021748368 /nfs/dbraw/zinc/74/83/68/1021748368.db2.gz LUYGROSYAKUZPX-CQSZACIVSA-N -1 0 341.473 3.757 20 0 EHADRM CN(C(=O)N(CCC(=O)[O-])Cc1ccc(Cl)cc1)C1CCCC1 ZINC000519003368 1021753936 /nfs/dbraw/zinc/75/39/36/1021753936.db2.gz IYVOWENMGRKWAL-UHFFFAOYSA-N -1 0 338.835 3.611 20 0 EHADRM O=C(CSc1n[n-]c(=S)s1)Nc1ccc2ncsc2c1 ZINC000176023865 1021755077 /nfs/dbraw/zinc/75/50/77/1021755077.db2.gz ZUDGDWSCLDEAIT-UHFFFAOYSA-N -1 0 340.480 3.541 20 0 EHADRM COCc1nc(=N[C@H](c2ccccc2)c2cccc(Cl)c2)s[n-]1 ZINC000426519956 1021793575 /nfs/dbraw/zinc/79/35/75/1021793575.db2.gz BVWPQWPYGXWTHI-MRXNPFEDSA-N -1 0 345.855 3.961 20 0 EHADRM CCN(CC)c1ccc(NS(=O)(=O)c2cccc(C(C)C)c2)cn1 ZINC000437397135 1021793734 /nfs/dbraw/zinc/79/37/34/1021793734.db2.gz RRPFPJFLYCWWOS-UHFFFAOYSA-N -1 0 347.484 3.852 20 0 EHADRM CCSc1ccc(C(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])cc1 ZINC000439935729 1021843457 /nfs/dbraw/zinc/84/34/57/1021843457.db2.gz UNTXWNCTBHIFAH-CVEARBPZSA-N -1 0 335.469 3.952 20 0 EHADRM CCSc1ccc(C(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])cc1 ZINC000439935734 1021845815 /nfs/dbraw/zinc/84/58/15/1021845815.db2.gz UNTXWNCTBHIFAH-JKSUJKDBSA-N -1 0 335.469 3.952 20 0 EHADRM CSCC1(CC(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)CC1 ZINC000593701559 1033010949 /nfs/dbraw/zinc/01/09/49/1033010949.db2.gz FOJVXJIQRCGQRV-UHFFFAOYSA-N -1 0 337.441 3.644 20 0 EHADRM C[C@H](N=c1ncnc2[nH][nH]cc1-2)c1ccccc1Oc1ccccc1 ZINC000506769258 1021979177 /nfs/dbraw/zinc/97/91/77/1021979177.db2.gz VXHFFJFJFSKVEI-ZDUSSCGKSA-N -1 0 331.379 3.692 20 0 EHADRM O=C([O-])c1ccc([C@@H](NC(=O)[C@@H]2CC23CCCC3)C(F)(F)F)cc1 ZINC000517074561 1021985288 /nfs/dbraw/zinc/98/52/88/1021985288.db2.gz YOCNENOABVTNKG-QWHCGFSZSA-N -1 0 341.329 3.685 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N(CC)[C@@H](CC)c2ccccc2)s1 ZINC000520174307 1022003844 /nfs/dbraw/zinc/00/38/44/1022003844.db2.gz CSPOVJQNNWLTLT-AWEZNQCLSA-N -1 0 332.473 3.918 20 0 EHADRM COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000519326094 1022012039 /nfs/dbraw/zinc/01/20/39/1022012039.db2.gz WYKSDOXXSLPMGR-UHFFFAOYSA-N -1 0 349.452 3.900 20 0 EHADRM Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccco3)cn2)cc1 ZINC000437661205 1022036901 /nfs/dbraw/zinc/03/69/01/1022036901.db2.gz IKAGVZZKKKBLQO-UHFFFAOYSA-N -1 0 330.365 3.576 20 0 EHADRM CC(C)Cc1cc([N-]S(=O)(=O)c2csc3ccccc32)[nH]n1 ZINC000506806472 1022045746 /nfs/dbraw/zinc/04/57/46/1022045746.db2.gz PPLQVGSLEZYDOI-UHFFFAOYSA-N -1 0 335.454 3.624 20 0 EHADRM CCCc1ccc(NC(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])cc1 ZINC000326384501 1022095249 /nfs/dbraw/zinc/09/52/49/1022095249.db2.gz JJQLGNMKSFLPTM-GOSISDBHSA-N -1 0 338.407 3.855 20 0 EHADRM CCc1cccc(Cl)c1CNCc1ccc(C(=O)[O-])c(CC)n1 ZINC000426636270 1022109303 /nfs/dbraw/zinc/10/93/03/1022109303.db2.gz DWEPDLOCQSRICH-UHFFFAOYSA-N -1 0 332.831 3.848 20 0 EHADRM Cc1ccc(Cc2n[n-]c(=NC(=O)N3CCC[C@H]3C(C)C)s2)cc1 ZINC000519449960 1022112929 /nfs/dbraw/zinc/11/29/29/1022112929.db2.gz QEOWLIXDHYJAJP-HNNXBMFYSA-N -1 0 344.484 3.512 20 0 EHADRM CCC[C@@]1(C)CCCN(C(=O)N=c2[n-]nc(-c3ccco3)s2)C1 ZINC000437796129 1022149570 /nfs/dbraw/zinc/14/95/70/1022149570.db2.gz GRJJYBDMTCEREV-INIZCTEOSA-N -1 0 334.445 3.654 20 0 EHADRM CCC[C@H]1[C@@H](C)CCCN1C(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000437813371 1022163078 /nfs/dbraw/zinc/16/30/78/1022163078.db2.gz CKRVBEGNQNPHBM-RYUDHWBXSA-N -1 0 334.445 3.653 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)c2ccc3c(c2)CCCC3=O)s1 ZINC000574295812 1033033103 /nfs/dbraw/zinc/03/31/03/1033033103.db2.gz XOKVDIPNBUQMGM-UHFFFAOYSA-N -1 0 343.452 3.635 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2sccc2Cl)nn1[C@@H](C)C1CC1 ZINC000519521647 1022235752 /nfs/dbraw/zinc/23/57/52/1022235752.db2.gz CEJJJEBRYCTIQC-VIFPVBQESA-N -1 0 345.877 3.678 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)[C@@H]1SCCc2ccccc21)C1CCCCC1 ZINC000345976067 1022238620 /nfs/dbraw/zinc/23/86/20/1022238620.db2.gz IWHRXRCYOUHMPU-SJLPKXTDSA-N -1 0 347.480 3.557 20 0 EHADRM CCSc1ccc([C@@H](C)N=c2[n-]c(C3CCOCC3)no2)cc1 ZINC000517323641 1022246313 /nfs/dbraw/zinc/24/63/13/1022246313.db2.gz PBQBETXQCSBYCY-GFCCVEGCSA-N -1 0 333.457 3.671 20 0 EHADRM CCCN=c1[n-]nc(Sc2ncnc3ccc(SC)cc32)s1 ZINC000517425573 1022323428 /nfs/dbraw/zinc/32/34/28/1022323428.db2.gz ZGXMPUAARKGHJR-UHFFFAOYSA-N -1 0 349.510 3.598 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N2C[C@H](C)[C@@H](C)C2)s1)c1ccccc1 ZINC000438017857 1022326201 /nfs/dbraw/zinc/32/62/01/1022326201.db2.gz XWKBWLOPSBLKNM-KCQAQPDRSA-N -1 0 344.484 3.622 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1SC(F)(F)F ZINC000319956523 1022428015 /nfs/dbraw/zinc/42/80/15/1022428015.db2.gz HUNUHFUIXPSFAY-UWVGGRQHSA-N -1 0 345.342 3.904 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1csc(-c2ccoc2)n1)C1CCCCC1 ZINC000345980511 1022457609 /nfs/dbraw/zinc/45/76/09/1022457609.db2.gz NMJRTDWAYKPMJR-ZDUSSCGKSA-N -1 0 348.424 3.557 20 0 EHADRM CCc1[nH]nc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1C ZINC000438246786 1022504210 /nfs/dbraw/zinc/50/42/10/1022504210.db2.gz MRBOQMQAOPHCTP-UHFFFAOYSA-N -1 0 341.436 3.748 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3C[C@H](C)C[C@H](C)C3)n2)c1 ZINC000303853644 1022588989 /nfs/dbraw/zinc/58/89/89/1022588989.db2.gz FBUMASFFIBGQPW-GASCZTMLSA-N -1 0 341.455 3.819 20 0 EHADRM Cc1nc(CNCc2csc(-c3ccccc3)n2)ccc1C(=O)[O-] ZINC000426665024 1022591016 /nfs/dbraw/zinc/59/10/16/1022591016.db2.gz IIYMDZXHJDBCSG-UHFFFAOYSA-N -1 0 339.420 3.502 20 0 EHADRM Cc1ccccc1[C@H]1CN(Cc2c(Cl)cccc2C(=O)[O-])CCO1 ZINC000517751004 1022624014 /nfs/dbraw/zinc/62/40/14/1022624014.db2.gz ZOXCAKLHPUUTEJ-GOSISDBHSA-N -1 0 345.826 3.920 20 0 EHADRM O=C([O-])C[C@H](NCc1cnc(C2CC2)s1)c1ccc(F)cc1F ZINC000669472214 1022634566 /nfs/dbraw/zinc/63/45/66/1022634566.db2.gz LPDXHHLJJRFXEF-AWEZNQCLSA-N -1 0 338.379 3.604 20 0 EHADRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccccc1Br)C1CC1 ZINC000049135247 1022670469 /nfs/dbraw/zinc/67/04/69/1022670469.db2.gz FHIKLDTZCBWLHH-VIFPVBQESA-N -1 0 346.246 3.531 20 0 EHADRM Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000330862253 1022687981 /nfs/dbraw/zinc/68/79/81/1022687981.db2.gz MEIQGRHPAXJMDL-SSDOTTSWSA-N -1 0 342.226 3.792 20 0 EHADRM C[C@@H](NC(=O)c1csc2ccccc12)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655582930 1022698440 /nfs/dbraw/zinc/69/84/40/1022698440.db2.gz SYUYYKJOICOLSM-DDTOSNHZSA-N -1 0 331.437 3.767 20 0 EHADRM CC(C)[C@@H]([N-]S(=O)(=O)[C@H](C)C(F)(F)F)c1ccc(Cl)cc1 ZINC000546094566 1022705091 /nfs/dbraw/zinc/70/50/91/1022705091.db2.gz DDFUPPWPTKBEFM-BXKDBHETSA-N -1 0 343.798 3.907 20 0 EHADRM CCCc1nc(=NC(=O)[C@@H](C)c2ccc(C(F)(F)F)cc2)s[n-]1 ZINC000409648005 1022709718 /nfs/dbraw/zinc/70/97/18/1022709718.db2.gz NTELBYWQVSRTJK-VIFPVBQESA-N -1 0 343.374 3.674 20 0 EHADRM CCc1nc(C)c([N-]S(=O)(=O)c2cc(C)c(Cl)s2)s1 ZINC000331019874 1022722297 /nfs/dbraw/zinc/72/22/97/1022722297.db2.gz NTWWTQGBTYBBBE-UHFFFAOYSA-N -1 0 336.891 3.838 20 0 EHADRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(Cl)ccc2C)c1C ZINC000331116413 1022747963 /nfs/dbraw/zinc/74/79/63/1022747963.db2.gz VRTQIMGGUMMZBR-NSHDSACASA-N -1 0 341.864 3.925 20 0 EHADRM CNc1ccc(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)s1 ZINC000669507910 1033081144 /nfs/dbraw/zinc/08/11/44/1033081144.db2.gz IDNLYJRXJCZGML-UHFFFAOYSA-N -1 0 344.436 3.508 20 0 EHADRM CC(=O)c1ccc(C(=O)N2C[C@H](c3ccccc3C)C[C@@H]2C)cc1O ZINC000331357541 1022799629 /nfs/dbraw/zinc/79/96/29/1022799629.db2.gz UBMJOMNLAJTKGS-WMLDXEAASA-N -1 0 337.419 3.921 20 0 EHADRM CCC(C)(C)[C@H]1CCCN1C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000122043344 1022844104 /nfs/dbraw/zinc/84/41/04/1022844104.db2.gz OOVKXGRPKOAVJL-QGZVFWFLSA-N -1 0 341.455 3.515 20 0 EHADRM Cc1cccc(C(C)(C)CNC(=O)CCc2ccccc2C(=O)[O-])c1 ZINC000262095466 1022922391 /nfs/dbraw/zinc/92/23/91/1022922391.db2.gz CYUATUOOQDBAMD-UHFFFAOYSA-N -1 0 339.435 3.720 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)NCc2ccccc2C)s[n-]1 ZINC000473838664 1022922699 /nfs/dbraw/zinc/92/26/99/1022922699.db2.gz XHCMNQWZIAZSOO-UHFFFAOYSA-N -1 0 344.465 3.627 20 0 EHADRM CCN(C(=O)N=c1nc(-c2sccc2C)[n-]s1)[C@H](C)C(C)C ZINC000473841889 1022934035 /nfs/dbraw/zinc/93/40/35/1022934035.db2.gz JTYXJVVGPGSXEG-LLVKDONJSA-N -1 0 338.502 3.895 20 0 EHADRM COCc1ncsc1C(=O)[N-]c1c(C)noc1-c1ccccc1 ZINC000341678590 1022966102 /nfs/dbraw/zinc/96/61/02/1022966102.db2.gz UCOKAQJQJNTSKW-UHFFFAOYSA-N -1 0 329.381 3.505 20 0 EHADRM C[C@@]1(Br)C[C@@H]1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000528937508 1033097826 /nfs/dbraw/zinc/09/78/26/1033097826.db2.gz HOPUBWPNEBJZIK-KSBSHMNSSA-N -1 0 339.016 3.811 20 0 EHADRM C[C@@H]1CN(c2ccccc2NCc2c(F)ccc(O)c2F)C[C@H](C)O1 ZINC000294189235 1022991092 /nfs/dbraw/zinc/99/10/92/1022991092.db2.gz KEXOMDKYMDXAIR-BETUJISGSA-N -1 0 348.393 3.896 20 0 EHADRM O=C([O-])[C@H](NCc1cc(F)cc(Cl)c1)c1c(F)cccc1F ZINC000426737633 1023006824 /nfs/dbraw/zinc/00/68/24/1023006824.db2.gz OVOLWMDANMCOQO-CQSZACIVSA-N -1 0 329.705 3.673 20 0 EHADRM CC(=O)N(c1ccc(NC(=O)c2c([O-])cccc2F)cc1)[C@@H]1C[C@H]1C ZINC000294308198 1023009494 /nfs/dbraw/zinc/00/94/94/1023009494.db2.gz XLZZOSPPPGGLLB-BDJLRTHQSA-N -1 0 342.370 3.545 20 0 EHADRM Cc1ccc(C[NH2+][C@@H](CC(=O)[O-])c2cnn(-c3ccccc3)c2)cc1C ZINC000426752499 1023023496 /nfs/dbraw/zinc/02/34/96/1023023496.db2.gz AKHXEPTWVWGYBZ-FQEVSTJZSA-N -1 0 349.434 3.795 20 0 EHADRM CCCOc1cccc(C[NH2+][C@@H](CC(=O)[O-])c2cccc(OC)c2)c1 ZINC000426772804 1023034846 /nfs/dbraw/zinc/03/48/46/1023034846.db2.gz GOONPEMQSCQRTP-IBGZPJMESA-N -1 0 343.423 3.790 20 0 EHADRM CCCOc1cccc(C[NH2+][C@H](CC(=O)[O-])c2cccc(OC)c2)c1 ZINC000426772805 1023035021 /nfs/dbraw/zinc/03/50/21/1023035021.db2.gz GOONPEMQSCQRTP-LJQANCHMSA-N -1 0 343.423 3.790 20 0 EHADRM O=C([O-])[C@@H](NCc1ncc(-c2ccccc2)s1)c1ccc(F)cc1 ZINC000426775700 1023035980 /nfs/dbraw/zinc/03/59/80/1023035980.db2.gz UJIDJYUXSGURMR-KRWDZBQOSA-N -1 0 342.395 3.865 20 0 EHADRM Cc1ccc(-c2ncc(CN[C@H](C(=O)[O-])c3ccc(F)cc3)s2)o1 ZINC000426765434 1023042649 /nfs/dbraw/zinc/04/26/49/1023042649.db2.gz OBAPHSRZTXPQIZ-HNNXBMFYSA-N -1 0 346.383 3.766 20 0 EHADRM O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1cc(F)c([O-])c(Cl)c1 ZINC000189523586 1023047730 /nfs/dbraw/zinc/04/77/30/1023047730.db2.gz NOUSRIVRNBAJEO-UHOFOFEASA-N -1 0 331.774 3.643 20 0 EHADRM O=C([O-])[C@@H](NCc1cnc(-c2ccsc2)s1)c1ccccc1F ZINC000426787570 1023047908 /nfs/dbraw/zinc/04/79/08/1023047908.db2.gz FWWMLWOTMSDSSL-AWEZNQCLSA-N -1 0 348.424 3.926 20 0 EHADRM O=C([O-])[C@H](NCc1csc(-c2ccsc2)n1)c1ccsc1 ZINC000426790429 1023050816 /nfs/dbraw/zinc/05/08/16/1023050816.db2.gz DIQWOXYQBXXITA-GFCCVEGCSA-N -1 0 336.463 3.849 20 0 EHADRM O=C([O-])[C@@H](NCc1csc(-c2ccsc2)n1)c1cccc(F)c1 ZINC000426808737 1023060008 /nfs/dbraw/zinc/06/00/08/1023060008.db2.gz SFFPTGGEDAUCAV-AWEZNQCLSA-N -1 0 348.424 3.926 20 0 EHADRM CCc1ccc([C@@H](NCc2coc(-c3ccccc3)n2)C(=O)[O-])cc1 ZINC000426824772 1023068917 /nfs/dbraw/zinc/06/89/17/1023068917.db2.gz NYJMOLDELBWPQO-GOSISDBHSA-N -1 0 336.391 3.820 20 0 EHADRM COc1ccc(F)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1C ZINC000507012636 1023076134 /nfs/dbraw/zinc/07/61/34/1023076134.db2.gz KYTZHLMDYDQGJY-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CC(C)(C)Oc1ccccc1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000507013443 1023076259 /nfs/dbraw/zinc/07/62/59/1023076259.db2.gz PUPWGOUKLVPQJH-UHFFFAOYSA-N -1 0 340.832 3.713 20 0 EHADRM O=C([O-])c1cccc(C(=O)N[C@H](CC(F)(F)F)c2ccccc2)c1 ZINC000341708129 1023078656 /nfs/dbraw/zinc/07/86/56/1023078656.db2.gz BRNDLKIMMJWUQJ-CQSZACIVSA-N -1 0 337.297 3.808 20 0 EHADRM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000430980367 1023082032 /nfs/dbraw/zinc/08/20/32/1023082032.db2.gz ZACLBZPZEGUOJR-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc3oc(C(C)(C)C)nc3c2)cn1 ZINC000430983032 1023086187 /nfs/dbraw/zinc/08/61/87/1023086187.db2.gz YKBXGFJRAAAQSA-UHFFFAOYSA-N -1 0 345.424 3.630 20 0 EHADRM COC(=O)c1ccc(-c2noc(-c3ccc([O-])c(Cl)c3)n2)cc1 ZINC000189935649 1023136363 /nfs/dbraw/zinc/13/63/63/1023136363.db2.gz ADOSIZZDEOUKMA-UHFFFAOYSA-N -1 0 330.727 3.549 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N(C)C2CCC(C)CC2)n1 ZINC000438903981 1023137238 /nfs/dbraw/zinc/13/72/38/1023137238.db2.gz KYNVBRZUEKINDV-UHFFFAOYSA-N -1 0 341.455 3.791 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2CC[C@H]2c2ccccc2)n1 ZINC000438991275 1023196437 /nfs/dbraw/zinc/19/64/37/1023196437.db2.gz MRGVIEAFTVYENC-KRWDZBQOSA-N -1 0 347.418 3.728 20 0 EHADRM C[C@H](CC1CCCC1)C(=O)N=c1nc(Cc2ccccc2)[n-]s1 ZINC000510847879 1023268979 /nfs/dbraw/zinc/26/89/79/1023268979.db2.gz VLZQJTQUEDJWSO-CYBMUJFWSA-N -1 0 329.469 3.706 20 0 EHADRM Cc1ccc(C(C)(C)C)cc1S([O-])=CC(=O)NCc1ccccc1 ZINC000341787930 1023314092 /nfs/dbraw/zinc/31/40/92/1023314092.db2.gz IKTLOMZPQOAXJX-XMMPIXPASA-N -1 0 343.492 3.717 20 0 EHADRM O=C(Nc1ccccc1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000602736297 1033125352 /nfs/dbraw/zinc/12/53/52/1033125352.db2.gz VHOCDZJCUGAJCB-UHFFFAOYSA-N -1 0 343.180 3.543 20 0 EHADRM COc1ccc(C[NH2+][C@H](CC(=O)[O-])c2ccsc2)cc1Cl ZINC000276977175 1023523516 /nfs/dbraw/zinc/52/35/16/1023523516.db2.gz HRKBXVKSMBLRBT-CYBMUJFWSA-N -1 0 325.817 3.716 20 0 EHADRM CCCN(CCC)C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000607434821 1033139725 /nfs/dbraw/zinc/13/97/25/1033139725.db2.gz AHZHEIOEYQWYLF-UHFFFAOYSA-N -1 0 329.444 3.964 20 0 EHADRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cccc(C)c2)c1C1CC1 ZINC000535687175 1023564922 /nfs/dbraw/zinc/56/49/22/1023564922.db2.gz ZNVDUVLLAVSTFV-CYBMUJFWSA-N -1 0 333.457 3.841 20 0 EHADRM C[C@@H](NC(=O)c1cc2ccccc2cc1O)c1ccc2c(c1)CC(=O)N2 ZINC000193415255 1033150519 /nfs/dbraw/zinc/15/05/19/1033150519.db2.gz XKYJJHNSNBTFJQ-GFCCVEGCSA-N -1 0 346.386 3.531 20 0 EHADRM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cnn(C2CCCC2)c1 ZINC000634784757 1023663986 /nfs/dbraw/zinc/66/39/86/1023663986.db2.gz CVODUEUOPTWQNA-UHFFFAOYSA-N -1 0 339.848 3.761 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(C3CCCC3)nn2C)c(C)s1 ZINC000181105081 1023991733 /nfs/dbraw/zinc/99/17/33/1023991733.db2.gz GYIBILVLXQPOTI-UHFFFAOYSA-N -1 0 339.486 3.557 20 0 EHADRM Cc1cc(Br)ccc1NC(=O)C(C)(C)CCC(=O)[O-] ZINC000634814949 1024034900 /nfs/dbraw/zinc/03/49/00/1024034900.db2.gz SFBOYCBZPUGHLJ-UHFFFAOYSA-N -1 0 328.206 3.587 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522538982 1024047774 /nfs/dbraw/zinc/04/77/74/1024047774.db2.gz FWEGKHLSIWIFDK-UONOGXRCSA-N -1 0 347.340 3.537 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(C3CCCC3)nn2C)sc1C ZINC000329688757 1024068914 /nfs/dbraw/zinc/06/89/14/1024068914.db2.gz AZZPJVUDKRBCQN-UHFFFAOYSA-N -1 0 339.486 3.557 20 0 EHADRM O=C([O-])c1c[nH]c2ccc(-c3ccccc3OC[C@@H]3CCOC3)cc21 ZINC000657203637 1024083455 /nfs/dbraw/zinc/08/34/55/1024083455.db2.gz IEDCKEKSBMGVNQ-CYBMUJFWSA-N -1 0 337.375 3.948 20 0 EHADRM CCOCCC1(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)CCCC1 ZINC000191410401 1024085996 /nfs/dbraw/zinc/08/59/96/1024085996.db2.gz XVCQRQBUTUPQEP-HNNXBMFYSA-N -1 0 347.455 3.875 20 0 EHADRM Cc1cc(-c2cc(F)ccc2OCC2CCOCC2)oc1C(=O)[O-] ZINC000657204873 1024087355 /nfs/dbraw/zinc/08/73/55/1024087355.db2.gz WCAZXXSFSBWSJZ-UHFFFAOYSA-N -1 0 334.343 3.898 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(C)n(C3CCCCC3)n2)s1 ZINC000329701799 1024103404 /nfs/dbraw/zinc/10/34/04/1024103404.db2.gz HNUYGCHWYIKJGQ-UHFFFAOYSA-N -1 0 339.486 3.867 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(-c2ccc(O[C@@H]3CCOC3)cc2)cc1 ZINC000657204402 1024104802 /nfs/dbraw/zinc/10/48/02/1024104802.db2.gz KDJDBCOSSZVYMC-GOSISDBHSA-N -1 0 326.392 3.884 20 0 EHADRM O=C([O-])CCc1cc(-c2ccc(C(F)(F)F)cc2CO)cs1 ZINC000657206991 1024114031 /nfs/dbraw/zinc/11/40/31/1024114031.db2.gz FOEAARGODWSTCQ-UHFFFAOYSA-N -1 0 330.327 3.943 20 0 EHADRM CC(C)c1cc(C(=O)NCC2(C(=O)[O-])CCCCC2)nn1C(C)(C)C ZINC000191510142 1024114599 /nfs/dbraw/zinc/11/45/99/1024114599.db2.gz WCJSBNDQYQVELS-UHFFFAOYSA-N -1 0 349.475 3.526 20 0 EHADRM CCOc1cccc([C@@H](C)NC(=O)CCc2ccccc2C(=O)[O-])c1 ZINC000262192089 1024118460 /nfs/dbraw/zinc/11/84/60/1024118460.db2.gz RDMPLMFGRNARCI-CQSZACIVSA-N -1 0 341.407 3.594 20 0 EHADRM COCc1ccc(CN[C@@]2(C(=O)[O-])CCC(C)(C)c3ccccc32)o1 ZINC000417594306 1024127415 /nfs/dbraw/zinc/12/74/15/1024127415.db2.gz WJOQTZRXDRMWQY-FQEVSTJZSA-N -1 0 343.423 3.567 20 0 EHADRM COc1cc(-c2cccc(OCCC(=O)[O-])c2)cnc1C(F)(F)F ZINC000657206630 1024128144 /nfs/dbraw/zinc/12/81/44/1024128144.db2.gz JFPZKKFLRZOCPP-UHFFFAOYSA-N -1 0 341.285 3.630 20 0 EHADRM COc1cc(C)c(NC(=O)c2cc(F)c([O-])c(Cl)c2)cc1F ZINC000192525977 1024148531 /nfs/dbraw/zinc/14/85/31/1024148531.db2.gz JAHAQKSJARHGBO-UHFFFAOYSA-N -1 0 327.714 3.893 20 0 EHADRM Cc1[n-]n(-c2ccccc2Cl)c(=O)c1C(=O)Nc1ccc(C)cc1 ZINC000505445122 1024200803 /nfs/dbraw/zinc/20/08/03/1024200803.db2.gz WFVGRYCVDNEEMG-INIZCTEOSA-N -1 0 341.798 3.626 20 0 EHADRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000434624796 1024219052 /nfs/dbraw/zinc/21/90/52/1024219052.db2.gz AVCOWINODJWGHF-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM CCOc1ccc(CNc2cc(CCC(=O)[O-])ccc2OC)cc1 ZINC000417635017 1024222521 /nfs/dbraw/zinc/22/25/21/1024222521.db2.gz ZZIZGQLRRPSNBP-UHFFFAOYSA-N -1 0 329.396 3.723 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])NCc2csc(C(C)(C)C)n2)c1 ZINC000277224369 1024257980 /nfs/dbraw/zinc/25/79/80/1024257980.db2.gz IAVAZGYZRCBSEB-OAHLLOKOSA-N -1 0 348.468 3.755 20 0 EHADRM CC[C@@H](C(=O)[N-]OCc1ccccn1)c1ccc(Br)cc1 ZINC000909517907 1024340271 /nfs/dbraw/zinc/34/02/71/1024340271.db2.gz OTOKYRXBPVDREJ-OAHLLOKOSA-N -1 0 349.228 3.586 20 0 EHADRM CC1CC(C(=O)[N-]OCc2ccccn2)(c2cccc(Cl)c2)C1 ZINC000909544928 1024367412 /nfs/dbraw/zinc/36/74/12/1024367412.db2.gz UNQSTRHLWDNHKA-UHFFFAOYSA-N -1 0 330.815 3.651 20 0 EHADRM C[C@@H](CC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC000194455608 1024421830 /nfs/dbraw/zinc/42/18/30/1024421830.db2.gz HOXQDORKFGLXRO-VHRBIJSZSA-N -1 0 343.345 3.569 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2noc3ccc(Cl)cc32)c(F)c1 ZINC000427621540 1024432237 /nfs/dbraw/zinc/43/22/37/1024432237.db2.gz DAFXUQAOJUDZRY-UHFFFAOYSA-N -1 0 340.763 3.730 20 0 EHADRM CN(Cc1ccccc1)C(=O)Nc1ccccc1CCCC(=O)[O-] ZINC000281787124 1024441578 /nfs/dbraw/zinc/44/15/78/1024441578.db2.gz HRFYHEUVWXKNFX-UHFFFAOYSA-N -1 0 326.396 3.758 20 0 EHADRM CC[C@H](SC)C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000536460757 1024500375 /nfs/dbraw/zinc/50/03/75/1024500375.db2.gz RCZZIBVIZIPJJP-VIFPVBQESA-N -1 0 338.654 3.888 20 0 EHADRM Cc1cccc([C@@H]2CCCN2Cc2ncc(Br)cc2[O-])n1 ZINC000892056031 1024504063 /nfs/dbraw/zinc/50/40/63/1024504063.db2.gz YWHFZMPYNBULIC-HNNXBMFYSA-N -1 0 348.244 3.590 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)CC2(C(F)(F)F)CC2)s[n-]1 ZINC000505602660 1024609386 /nfs/dbraw/zinc/60/93/86/1024609386.db2.gz BHHYPXUZSGODBG-UHFFFAOYSA-N -1 0 347.387 3.668 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000514683225 1024653590 /nfs/dbraw/zinc/65/35/90/1024653590.db2.gz ALIPKYLFDMBHMY-DGCLKSJQSA-N -1 0 328.416 3.641 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1ccccc1OC(C)(C)C ZINC000115314016 1024667356 /nfs/dbraw/zinc/66/73/56/1024667356.db2.gz QHWCXITXGDLVOU-UHFFFAOYSA-N -1 0 335.425 3.673 20 0 EHADRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1OCC(F)F ZINC000474302315 1024711528 /nfs/dbraw/zinc/71/15/28/1024711528.db2.gz HGFZGXWFUQQRIC-UHFFFAOYSA-N -1 0 345.342 3.579 20 0 EHADRM COCc1cc(NC(=O)c2cc(C)cc(Cl)c2)cc(C(=O)[O-])c1 ZINC000427707915 1024745565 /nfs/dbraw/zinc/74/55/65/1024745565.db2.gz UFBOJRBMELAQJU-UHFFFAOYSA-N -1 0 333.771 3.745 20 0 EHADRM Cc1ncc(CSc2n[n-]c(=NCc3ccccc3)s2)s1 ZINC000346479705 1024767262 /nfs/dbraw/zinc/76/72/62/1024767262.db2.gz NPNSGCJLAICVPT-UHFFFAOYSA-N -1 0 334.495 3.629 20 0 EHADRM O=C([O-])CC1CCN(C(=O)c2ccccc2Cc2ccccc2)CC1 ZINC000262246274 1024872882 /nfs/dbraw/zinc/87/28/82/1024872882.db2.gz BIBOZSNPNSOVOO-UHFFFAOYSA-N -1 0 337.419 3.604 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]c1ccc2c(Cl)cccc2n1 ZINC000508068556 1024873725 /nfs/dbraw/zinc/87/37/25/1024873725.db2.gz NZMNHAGJHUTRAO-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM C[C@@H](NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1ccc(F)c(F)c1 ZINC000684714002 1024890784 /nfs/dbraw/zinc/89/07/84/1024890784.db2.gz SQQWQAFWEQUDFS-QMTHXVAHSA-N -1 0 342.386 3.605 20 0 EHADRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C2CCCC2)[nH]n1 ZINC000474422718 1024932657 /nfs/dbraw/zinc/93/26/57/1024932657.db2.gz WEBYEEOXCJJUGW-UHFFFAOYSA-N -1 0 339.848 3.830 20 0 EHADRM CCOc1c(F)cccc1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474430358 1024952831 /nfs/dbraw/zinc/95/28/31/1024952831.db2.gz HMVVUNDPJHLRLZ-UHFFFAOYSA-N -1 0 327.714 3.975 20 0 EHADRM COc1ccccc1[C@@H](N=c1[n-]nc(C)o1)c1ccccc1Cl ZINC000342344928 1025001393 /nfs/dbraw/zinc/00/13/93/1025001393.db2.gz FMFZBYSYSUKFIZ-INIZCTEOSA-N -1 0 329.787 3.663 20 0 EHADRM CCOc1ccc(SCC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000013094907 1025012210 /nfs/dbraw/zinc/01/22/10/1025012210.db2.gz LAWLRJGHKYSSMO-UHFFFAOYSA-N -1 0 331.393 3.514 20 0 EHADRM CCCC[C@H](C)N(C)C(=O)c1nn(-c2cc(C)ccc2F)cc1[O-] ZINC000428160412 1025022023 /nfs/dbraw/zinc/02/20/23/1025022023.db2.gz VDXGJLIVXGFGPA-ZDUSSCGKSA-N -1 0 333.407 3.676 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)N1CCCCC[C@H]1C(=O)[O-] ZINC000684724106 1025031390 /nfs/dbraw/zinc/03/13/90/1025031390.db2.gz WWUCSUUIQACTAN-ZFWWWQNUSA-N -1 0 344.411 3.841 20 0 EHADRM CC[C@H]1CCC[C@H]1NC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000684738983 1025143006 /nfs/dbraw/zinc/14/30/06/1025143006.db2.gz IZOOKVZZOOEGKO-DZGCQCFKSA-N -1 0 338.835 3.515 20 0 EHADRM CCCn1ncc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1C1CC1 ZINC000515292153 1025155653 /nfs/dbraw/zinc/15/56/53/1025155653.db2.gz PROGRDJKLWLGCE-UHFFFAOYSA-N -1 0 347.484 3.897 20 0 EHADRM CC(C)c1cccc(NC(=O)N(CCc2ccccc2)CC(=O)[O-])c1 ZINC000684741074 1025159074 /nfs/dbraw/zinc/15/90/74/1025159074.db2.gz HPKOZTSXKCVLRW-UHFFFAOYSA-N -1 0 340.423 3.971 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)N=c1nc([C@@H](C)OC)[n-]s1 ZINC000511066933 1025172721 /nfs/dbraw/zinc/17/27/21/1025172721.db2.gz ZRHYOJMBBWYOQY-DGCLKSJQSA-N -1 0 325.478 3.603 20 0 EHADRM O=C([O-])[C@H]1CCCCCN1C(=O)Nc1cccc(-c2nccs2)c1 ZINC000684745737 1025222497 /nfs/dbraw/zinc/22/24/97/1025222497.db2.gz MBZKTIJIOIEXHO-CQSZACIVSA-N -1 0 345.424 3.671 20 0 EHADRM CC(C)OCc1cccc(NC(=O)N(CC(=O)[O-])C2CCCCC2)c1 ZINC000684748166 1025248300 /nfs/dbraw/zinc/24/83/00/1025248300.db2.gz ZXTNTQAAIYIAQF-UHFFFAOYSA-N -1 0 348.443 3.863 20 0 EHADRM Cc1n[nH]cc1S(=O)(=O)[N-]c1ccccc1Nc1ccc(C)cc1 ZINC000521242031 1025292030 /nfs/dbraw/zinc/29/20/30/1025292030.db2.gz MRKLDYYGFYSUEP-UHFFFAOYSA-N -1 0 342.424 3.571 20 0 EHADRM Cc1nccn1CCCSc1n[n-]c(=Nc2cccc(C)c2)s1 ZINC000511075258 1025322862 /nfs/dbraw/zinc/32/28/62/1025322862.db2.gz RHGJXPWZCKXURD-UHFFFAOYSA-N -1 0 345.497 3.699 20 0 EHADRM O=c1nc(-c2ccc(Cl)o2)[n-]c2c(-c3ccccc3)nsc21 ZINC000548684061 1025347641 /nfs/dbraw/zinc/34/76/41/1025347641.db2.gz NPSSXMDPUYDFPM-UHFFFAOYSA-N -1 0 329.768 3.960 20 0 EHADRM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc2ccccc2n1 ZINC000521544020 1025464144 /nfs/dbraw/zinc/46/41/44/1025464144.db2.gz GHEYYIMMSYGSOI-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM CC[C@H](C)c1ncc([N-]S(=O)(=O)c2sccc2Cl)cn1 ZINC000451044862 1025464284 /nfs/dbraw/zinc/46/42/84/1025464284.db2.gz LAKGUFIUSSSNOL-QMMMGPOBSA-N -1 0 331.850 3.506 20 0 EHADRM CC[C@@H](C)c1ncc([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)cn1 ZINC000451045645 1025464536 /nfs/dbraw/zinc/46/45/36/1025464536.db2.gz MXZVEGBFDNGMFU-SNVBAGLBSA-N -1 0 349.387 3.676 20 0 EHADRM Cc1onc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)c1C ZINC000451048869 1025469559 /nfs/dbraw/zinc/46/95/59/1025469559.db2.gz KXMXGQABZLMBCA-UHFFFAOYSA-N -1 0 338.429 3.517 20 0 EHADRM Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C(=O)Nc1cccc(C)c1C ZINC000505775355 1025473821 /nfs/dbraw/zinc/47/38/21/1025473821.db2.gz ANGKINKPKXRYCN-IBGZPJMESA-N -1 0 349.434 3.898 20 0 EHADRM CCc1ccc(NC(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])cc1CC ZINC000559585352 1025491773 /nfs/dbraw/zinc/49/17/73/1025491773.db2.gz RWAHNIYPIALXBZ-XIRDDKMYSA-N -1 0 330.428 3.528 20 0 EHADRM O=C([O-])CC1(CC(=O)NCc2c(F)cccc2Cl)CCCC1 ZINC000347095429 1025492307 /nfs/dbraw/zinc/49/23/07/1025492307.db2.gz RIMCXUSUXDGKPK-UHFFFAOYSA-N -1 0 327.783 3.521 20 0 EHADRM COc1cc(C(=O)N(CC(F)F)CC2CCC2)cc(Cl)c1O ZINC000442819983 1025513490 /nfs/dbraw/zinc/51/34/90/1025513490.db2.gz JNENTCNSLAWGLO-UHFFFAOYSA-N -1 0 333.762 3.562 20 0 EHADRM C[C@H](CC(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21)c1ccc(F)cc1 ZINC000262385822 1025519016 /nfs/dbraw/zinc/51/90/16/1025519016.db2.gz MBMQUENVQXJNSQ-IRWJRLHMSA-N -1 0 333.403 3.564 20 0 EHADRM COc1c(C)cc(S(=O)(=O)Nc2ccc3ccoc3c2)cc1C ZINC000442856257 1025549579 /nfs/dbraw/zinc/54/95/79/1025549579.db2.gz YVGOFLALDRIAMT-UHFFFAOYSA-N -1 0 331.393 3.859 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N[C@H](C)c2cccc(OC)c2)s1 ZINC000515776769 1025587426 /nfs/dbraw/zinc/58/74/26/1025587426.db2.gz LSXKIPBSMYCDIC-LLVKDONJSA-N -1 0 348.472 3.755 20 0 EHADRM CCCOc1cccc([N-]S(=O)(=O)c2cccc3cccnc32)c1 ZINC000522476828 1025620829 /nfs/dbraw/zinc/62/08/29/1025620829.db2.gz UMFRXPVDUNUUEO-UHFFFAOYSA-N -1 0 342.420 3.824 20 0 EHADRM CC[C@H](c1ccccc1)N(CC)C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000347188230 1025634764 /nfs/dbraw/zinc/63/47/64/1025634764.db2.gz CAFZWGAQKXIUKE-QGZVFWFLSA-N -1 0 335.407 3.537 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N[C@H](C)c2ccc(OC)cc2)s1 ZINC000521816816 1025702774 /nfs/dbraw/zinc/70/27/74/1025702774.db2.gz GPTWXMLOCINMSL-GFCCVEGCSA-N -1 0 348.472 3.584 20 0 EHADRM O=C([O-])c1cc(C(=O)N2CCCCC[C@H]2/C=C/c2cccs2)no1 ZINC000909559821 1025722726 /nfs/dbraw/zinc/72/27/26/1025722726.db2.gz LGJAACZUHIOMSU-GUOLPTJISA-N -1 0 346.408 3.533 20 0 EHADRM C[C@H](N=c1nc(C2CC2)[n-]s1)c1ccc(Br)s1 ZINC000436463923 1025743720 /nfs/dbraw/zinc/74/37/20/1025743720.db2.gz LZHWIVNUDIUURU-LURJTMIESA-N -1 0 330.276 3.835 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ccc3ncccc3c2)c(Cl)c1 ZINC000342490066 1025839663 /nfs/dbraw/zinc/83/96/63/1025839663.db2.gz LLDAXDUGGXZRLN-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM C[C@@H]1C[C@H]1[C@@H](NC(=O)C(=O)c1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000436518480 1025850010 /nfs/dbraw/zinc/85/00/10/1025850010.db2.gz YNDWJHNPDISZJR-LQAWEQHXSA-N -1 0 343.810 3.742 20 0 EHADRM CCOC(=O)CN(C(=O)c1cc(Cl)c2ccccc2c1[O-])C(C)C ZINC000436547758 1025852142 /nfs/dbraw/zinc/85/21/42/1025852142.db2.gz YFUJXUCTSOBQIY-UHFFFAOYSA-N -1 0 349.814 3.613 20 0 EHADRM c1ccc(Oc2cccc(N=c3[n-]nc(-c4ccccn4)s3)c2)nc1 ZINC000521989969 1025863737 /nfs/dbraw/zinc/86/37/37/1025863737.db2.gz JNZCMLRYDRHXOD-UHFFFAOYSA-N -1 0 347.403 3.953 20 0 EHADRM O=C(c1ccc2ccccc2c1O)N1CCC[C@@]2(CCCOC2)C1 ZINC000436570637 1025900155 /nfs/dbraw/zinc/90/01/55/1025900155.db2.gz ADPOHZGBSGGCAK-HXUWFJFHSA-N -1 0 325.408 3.578 20 0 EHADRM C[C@H](NC(=O)c1cc(Cl)c2ccccc2c1[O-])[C@@H]1CCCOC1 ZINC000436573708 1025904181 /nfs/dbraw/zinc/90/41/81/1025904181.db2.gz CXOJXSDYYQCBID-NWDGAFQWSA-N -1 0 333.815 3.744 20 0 EHADRM Cc1ccc(C(=O)Nc2cccc(Nc3cnn(C)c3)c2)c(O)c1C ZINC000436588719 1025927749 /nfs/dbraw/zinc/92/77/49/1025927749.db2.gz UFIWYFQZOBFLMZ-UHFFFAOYSA-N -1 0 336.395 3.738 20 0 EHADRM O=C(N[C@H]1CCCC[C@H]1n1cccn1)c1ccc2ccccc2c1O ZINC000436589965 1025928331 /nfs/dbraw/zinc/92/83/31/1025928331.db2.gz XGFSAKHMFHPYIQ-ZWKOTPCHSA-N -1 0 335.407 3.656 20 0 EHADRM COCCN(C[C@H]1CC=CCC1)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436612903 1025945469 /nfs/dbraw/zinc/94/54/69/1025945469.db2.gz ZTIPKCFZGMUDLT-LBPRGKRZSA-N -1 0 341.810 3.630 20 0 EHADRM COc1ccc2c(c1)C1(CC1)CN(C(=O)c1ccc([O-])c(Cl)c1)C2 ZINC000436617627 1025948924 /nfs/dbraw/zinc/94/89/24/1025948924.db2.gz LFKFKKAHADZWSW-UHFFFAOYSA-N -1 0 343.810 3.742 20 0 EHADRM C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436626329 1025953364 /nfs/dbraw/zinc/95/33/64/1025953364.db2.gz HECFSEYKEMOGRK-XPUUQOCRSA-N -1 0 325.689 3.598 20 0 EHADRM Cn1ncc2c1CCC[C@@H]2N=c1[n-]nc(-c2ccccc2Cl)s1 ZINC000329523254 1025956581 /nfs/dbraw/zinc/95/65/81/1025956581.db2.gz PVYYOJOOVQVWFK-ZDUSSCGKSA-N -1 0 345.859 3.503 20 0 EHADRM CCOc1cccc([C@@H]2C[C@H]2NC(=O)c2cc(F)c([O-])c(Cl)c2)c1 ZINC000436633896 1025961385 /nfs/dbraw/zinc/96/13/85/1025961385.db2.gz DGDTVVFLCWKMAU-XJKSGUPXSA-N -1 0 349.789 3.869 20 0 EHADRM CCCN(C(=O)c1cc(F)c([O-])c(F)c1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000436633211 1025962302 /nfs/dbraw/zinc/96/23/02/1025962302.db2.gz GDAJWPLUSPOHLT-LSDHHAIUSA-N -1 0 341.398 3.726 20 0 EHADRM Cc1cc(Nc2cc(Cl)ccc2N2CCOCC2)cc(C(=O)[O-])c1 ZINC001211542645 1025963498 /nfs/dbraw/zinc/96/34/98/1025963498.db2.gz MOAWXBJFEODAHK-UHFFFAOYSA-N -1 0 346.814 3.927 20 0 EHADRM CCOc1ccc([C@@H]2C[C@H]2NC(=O)c2cc(F)c([O-])c(Cl)c2)cc1 ZINC000436634649 1025965091 /nfs/dbraw/zinc/96/50/91/1025965091.db2.gz HHJYVXFSOMAWBA-XJKSGUPXSA-N -1 0 349.789 3.869 20 0 EHADRM CC(C)c1nccnc1N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC000582363511 1025971017 /nfs/dbraw/zinc/97/10/17/1025971017.db2.gz YQGLBPIUJIKXSZ-UHFFFAOYSA-N -1 0 339.439 3.757 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2scnc2C(C)(C)C)c1 ZINC000436651729 1025977080 /nfs/dbraw/zinc/97/70/80/1025977080.db2.gz HKKFJXCKTZZNBY-UHFFFAOYSA-N -1 0 332.425 3.991 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccc(-n3nccc3C)cc2)c1 ZINC000436651736 1025978557 /nfs/dbraw/zinc/97/85/57/1025978557.db2.gz HMWXCVYFFVTMFC-UHFFFAOYSA-N -1 0 349.390 3.731 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000262293511 1025981874 /nfs/dbraw/zinc/98/18/74/1025981874.db2.gz WIEGJQRJRPJIOX-QRVBRYPASA-N -1 0 335.403 3.679 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2nn(-c3ccccc3)cc2C)c1 ZINC000436656960 1025985808 /nfs/dbraw/zinc/98/58/08/1025985808.db2.gz KEUPMEDELQRHIF-UHFFFAOYSA-N -1 0 349.390 3.731 20 0 EHADRM O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(Cl)cc1[O-] ZINC000436655367 1025986911 /nfs/dbraw/zinc/98/69/11/1025986911.db2.gz LKLNRWADQHECRU-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM CC[C@H](CNC(=O)c1ccc([O-])c(Cl)c1)Oc1cccc(F)c1 ZINC000436639194 1025988223 /nfs/dbraw/zinc/98/82/23/1025988223.db2.gz OEMOSWWKLRVUBE-CYBMUJFWSA-N -1 0 337.778 3.772 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccc(-n3ccc(C)n3)cc2)c1 ZINC000436647607 1025996659 /nfs/dbraw/zinc/99/66/59/1025996659.db2.gz JYAWULRALZVAMP-UHFFFAOYSA-N -1 0 349.390 3.731 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)Cc2cccc(OC(C)C)c2)c1 ZINC000436649083 1026000055 /nfs/dbraw/zinc/00/00/55/1026000055.db2.gz VMLHMDWVSOKKDX-UHFFFAOYSA-N -1 0 341.407 3.953 20 0 EHADRM CN(CC(=O)Nc1cccc(Cl)c1[O-])c1nc2ccccc2s1 ZINC000522976431 1026017191 /nfs/dbraw/zinc/01/71/91/1026017191.db2.gz RDMCBEORVIQSFH-UHFFFAOYSA-N -1 0 347.827 3.730 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)COc2cccc3ccccc32)c1 ZINC000436681552 1026032809 /nfs/dbraw/zinc/03/28/09/1026032809.db2.gz ROWSXZBXTPOWRN-UHFFFAOYSA-N -1 0 335.359 3.766 20 0 EHADRM CC(C)Cn1cnc(S(=O)(=O)[N-]c2cccc3ccsc32)c1 ZINC000443452068 1026056341 /nfs/dbraw/zinc/05/63/41/1026056341.db2.gz INNNGCWYWVUXQR-UHFFFAOYSA-N -1 0 335.454 3.555 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCC[C@@H]1[C@@H]1CCCO1 ZINC000436715980 1026083755 /nfs/dbraw/zinc/08/37/55/1026083755.db2.gz RFCDCJUCBSANNW-SJORKVTESA-N -1 0 345.826 3.982 20 0 EHADRM Cc1nc([C@H](C)NC(=O)C2(CC(C)C)CCCC2)sc1C(=O)[O-] ZINC000909504707 1026091097 /nfs/dbraw/zinc/09/10/97/1026091097.db2.gz DKMNGHVRQFPTGB-LBPRGKRZSA-N -1 0 338.473 3.933 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cnc3c(F)cccc3c2)c1 ZINC000436764206 1026133557 /nfs/dbraw/zinc/13/35/57/1026133557.db2.gz KDHPUECETDLKRE-UHFFFAOYSA-N -1 0 338.338 3.925 20 0 EHADRM Cc1cc(C(=O)Nc2cc(Cl)c([O-])cc2F)nc(C(F)(F)F)n1 ZINC000436772262 1026148926 /nfs/dbraw/zinc/14/89/26/1026148926.db2.gz KPVUVAHRVDVIEU-UHFFFAOYSA-N -1 0 349.671 3.554 20 0 EHADRM O=S(=O)([N-]c1ccc2ncsc2c1)c1cc2ccccc2o1 ZINC000530770468 1026279716 /nfs/dbraw/zinc/27/97/16/1026279716.db2.gz WEPBFUFCJOJMSD-UHFFFAOYSA-N -1 0 330.390 3.843 20 0 EHADRM CCc1ccc(OCC(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)cc1 ZINC000324745838 1026291021 /nfs/dbraw/zinc/29/10/21/1026291021.db2.gz PSKNJZASYMGYTI-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM Cc1cc(NC(=O)COc2c(C)cccc2C)cc(C(=O)[O-])c1C ZINC000324792008 1026318975 /nfs/dbraw/zinc/31/89/75/1026318975.db2.gz LZLMZYXDKMUPMX-UHFFFAOYSA-N -1 0 327.380 3.636 20 0 EHADRM COc1ccc(-c2noc([N-]Cc3nc(C(C)(C)C)co3)n2)cc1 ZINC000897172433 1026444760 /nfs/dbraw/zinc/44/47/60/1026444760.db2.gz IJDVEUJMGQBPIY-UHFFFAOYSA-N -1 0 328.372 3.643 20 0 EHADRM CCOC(=O)CCc1ccc(Nc2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001211547208 1026446509 /nfs/dbraw/zinc/44/65/09/1026446509.db2.gz KCMAHAYLWHFSJI-UHFFFAOYSA-N -1 0 327.380 3.933 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)c1ccc(OC2CCC2)cc1Cl)C(=O)[O-] ZINC000431439547 1026511218 /nfs/dbraw/zinc/51/12/18/1026511218.db2.gz DAYODOYWNSIRJH-ZUZCIYMTSA-N -1 0 339.819 3.500 20 0 EHADRM COc1cc(CNC(=O)c2ccc(C(C)C)s2)ccc1C(=O)[O-] ZINC000192893614 1026596805 /nfs/dbraw/zinc/59/68/05/1026596805.db2.gz IGGCOHSTOCBIJF-UHFFFAOYSA-N -1 0 333.409 3.508 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)[C@](C)(CC(=O)[O-])c2ccsc2)cc1F ZINC000634824756 1026623270 /nfs/dbraw/zinc/62/32/70/1026623270.db2.gz BMSYBAQISWVMDM-KZULUSFZSA-N -1 0 349.427 3.805 20 0 EHADRM Cc1cn2c(nc(C)c2CN(C)C(=O)c2ccc([O-])c(Cl)c2)s1 ZINC000192941448 1026647800 /nfs/dbraw/zinc/64/78/00/1026647800.db2.gz SJYTYLSKYVOFMN-UHFFFAOYSA-N -1 0 349.843 3.644 20 0 EHADRM CCSc1ccccc1CC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000909580968 1026670808 /nfs/dbraw/zinc/67/08/08/1026670808.db2.gz OIBBIIGUMDSOEV-OAHLLOKOSA-N -1 0 341.432 3.556 20 0 EHADRM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2ccoc2CC(=O)[O-])cc1 ZINC000909583662 1026722099 /nfs/dbraw/zinc/72/20/99/1026722099.db2.gz IQIQQGQBLGYXRN-LIRRHRJNSA-N -1 0 341.407 3.829 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccccc2SC(F)(F)F)CCC1 ZINC000262499005 1026748661 /nfs/dbraw/zinc/74/86/61/1026748661.db2.gz LVCUJOXXOPEBKO-UHFFFAOYSA-N -1 0 333.331 3.882 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2cc(C3CC3)n(CC)n2)cc1 ZINC000531401925 1026893643 /nfs/dbraw/zinc/89/36/43/1026893643.db2.gz CQTCIIGIKONAQT-UHFFFAOYSA-N -1 0 333.457 3.534 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc(-c3nccs3)cc2)[C@H](C(=O)[O-])C1 ZINC000582703745 1026998426 /nfs/dbraw/zinc/99/84/26/1026998426.db2.gz LFGGXNMYGQWUJV-RISCZKNCSA-N -1 0 345.424 3.527 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)ccc1F ZINC000728508327 1027023592 /nfs/dbraw/zinc/02/35/92/1027023592.db2.gz NCWLLOVIOVBSMC-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cc(C)n([C@@H](C)CC)n2)s1 ZINC000342786385 1027041496 /nfs/dbraw/zinc/04/14/96/1027041496.db2.gz VOLMSIIDTPCYEO-JTQLQIEISA-N -1 0 327.475 3.587 20 0 EHADRM CC(C)Cc1n[n-]c(=NCc2cnc(-c3ccccc3F)s2)o1 ZINC000453047334 1027260121 /nfs/dbraw/zinc/26/01/21/1027260121.db2.gz PONDUGASTXJIOC-UHFFFAOYSA-N -1 0 332.404 3.565 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N(C)[C@@H](C)Cc2ccccc2C)c1 ZINC000414435582 1027268263 /nfs/dbraw/zinc/26/82/63/1027268263.db2.gz BAGVICJDNOPFOK-HNNXBMFYSA-N -1 0 325.408 3.705 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2cc(F)ccc2OCC2CC2)c1 ZINC000414435604 1027269834 /nfs/dbraw/zinc/26/98/34/1027269834.db2.gz BFOBDBTVXSYXLS-UHFFFAOYSA-N -1 0 343.354 3.873 20 0 EHADRM CC(C)Sc1ccc([C@H](C)NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000414442643 1027360160 /nfs/dbraw/zinc/36/01/60/1027360160.db2.gz HBFHNXLAZFHRMV-CFVMTHIKSA-N -1 0 335.469 3.865 20 0 EHADRM CCCCSCCC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000262174314 1027410964 /nfs/dbraw/zinc/41/09/64/1027410964.db2.gz WTKYNBNRLQCBKE-UHFFFAOYSA-N -1 0 345.848 3.665 20 0 EHADRM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)N=c2cc(C)c(C)n[n-]2)cc1 ZINC000531813655 1027414316 /nfs/dbraw/zinc/41/43/16/1027414316.db2.gz HTGJVCOXKSDGJQ-KUHUBIRLSA-N -1 0 338.455 3.829 20 0 EHADRM CCCC[C@H](CC)CC(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC000262516567 1027484859 /nfs/dbraw/zinc/48/48/59/1027484859.db2.gz PWBVCTHQKPJMAD-LBPRGKRZSA-N -1 0 337.416 3.947 20 0 EHADRM CCc1ccccc1[N-]S(=O)(=O)c1cc(C)cc2cccnc21 ZINC000614752713 1027510120 /nfs/dbraw/zinc/51/01/20/1027510120.db2.gz QUFZZCUCBFDVLE-UHFFFAOYSA-N -1 0 326.421 3.906 20 0 EHADRM CO[C@@H](C)c1nc(C)c(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)s1 ZINC000414462494 1027640419 /nfs/dbraw/zinc/64/04/19/1027640419.db2.gz ZPPSOXGCBRNXMM-ONGXEEELSA-N -1 0 348.424 3.599 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000422581451 1027807651 /nfs/dbraw/zinc/80/76/51/1027807651.db2.gz PXTKIFVGCWYIJY-BBRMVZONSA-N -1 0 335.403 3.583 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccccc2OC2CCCCC2)C1 ZINC000422596974 1027819625 /nfs/dbraw/zinc/81/96/25/1027819625.db2.gz TYZTXBFCDRVFIL-GJZGRUSLSA-N -1 0 345.439 3.581 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1C(=O)[O-] ZINC000582846208 1027979906 /nfs/dbraw/zinc/97/99/06/1027979906.db2.gz WVPTVFUYQZBRMV-WPRPVWTQSA-N -1 0 331.199 3.568 20 0 EHADRM Cc1ccc(N=c2[n-]nc(SCCC[C@@H](C)O)s2)cc1Cl ZINC000475971603 1028047047 /nfs/dbraw/zinc/04/70/47/1028047047.db2.gz WHFWPNSRQBFSSF-SNVBAGLBSA-N -1 0 343.905 3.919 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2OCC)cc1C ZINC000614852845 1028210080 /nfs/dbraw/zinc/21/00/80/1028210080.db2.gz UJVBOILITVCHEQ-UHFFFAOYSA-N -1 0 349.452 3.902 20 0 EHADRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000614852875 1028210590 /nfs/dbraw/zinc/21/05/90/1028210590.db2.gz XUZWRBBLAMDJIN-UHFFFAOYSA-N -1 0 343.807 3.987 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc3cccc(Cl)c3n2)c1 ZINC000502423295 1028211509 /nfs/dbraw/zinc/21/15/09/1028211509.db2.gz DYMRPMMBZZRETF-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2cccc3c2C(=O)N=NC3=O)c1 ZINC001211966552 1028305897 /nfs/dbraw/zinc/30/58/97/1028305897.db2.gz FDKWYLKDRGUXMI-UHFFFAOYSA-N -1 0 329.699 3.528 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2ccccc2CN2CCCC2=O)c1 ZINC001211966790 1028313684 /nfs/dbraw/zinc/31/36/84/1028313684.db2.gz LTGWGBXTELYILV-UHFFFAOYSA-N -1 0 344.798 3.904 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N(C)[C@H](C)Cc2ccccc2C)s1 ZINC000444844320 1028345127 /nfs/dbraw/zinc/34/51/27/1028345127.db2.gz FAUGPHSZKCPIKX-CQSZACIVSA-N -1 0 346.500 3.706 20 0 EHADRM CCO[C@H](CC(=O)Nc1ccc(CCC(=O)[O-])cc1)C1=CCCC1 ZINC000431510509 1028386054 /nfs/dbraw/zinc/38/60/54/1028386054.db2.gz SVDWYTWQEMXBNC-QGZVFWFLSA-N -1 0 331.412 3.548 20 0 EHADRM Cc1cc(Nc2cc(CC(=O)[O-])ccc2F)cnc1Br ZINC001216677740 1028443791 /nfs/dbraw/zinc/44/37/91/1028443791.db2.gz RHEMIRXHBQULCS-UHFFFAOYSA-N -1 0 339.164 3.662 20 0 EHADRM CCOc1ccc(/C=C/c2ncc(/C=C/C(=O)[O-])s2)cc1OC ZINC000079943503 1028483332 /nfs/dbraw/zinc/48/33/32/1028483332.db2.gz NAOXMPHWQVJNSK-XVYDYJIPSA-N -1 0 331.393 3.819 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000236673247 1028561273 /nfs/dbraw/zinc/56/12/73/1028561273.db2.gz LLTNDWNLADFXPZ-VXGBXAGGSA-N -1 0 344.238 3.666 20 0 EHADRM Cc1ccc(-c2nc(C(=O)N(CC(=O)[O-])CC(C)C)cs2)c(C)c1 ZINC000236698707 1028564881 /nfs/dbraw/zinc/56/48/81/1028564881.db2.gz XNXQFQSRAWAKEQ-UHFFFAOYSA-N -1 0 346.452 3.610 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)[C@@H](C)Sc1ccc(Cl)cc1 ZINC000236726021 1028578752 /nfs/dbraw/zinc/57/87/52/1028578752.db2.gz AURRSRYJMIIQCD-GFCCVEGCSA-N -1 0 343.876 3.780 20 0 EHADRM CC(=O)Nc1cccc(N=c2[n-]nc(SC3CCCC3)s2)c1 ZINC000508522331 1028589366 /nfs/dbraw/zinc/58/93/66/1028589366.db2.gz QRQWHLSLDQZKDG-UHFFFAOYSA-N -1 0 334.470 3.697 20 0 EHADRM CC(C)(CC(=O)N=c1nc(-c2ccccc2)[n-]s1)c1ccccc1 ZINC000502714211 1028590936 /nfs/dbraw/zinc/59/09/36/1028590936.db2.gz CLMNYRGBLQZYFI-UHFFFAOYSA-N -1 0 337.448 3.933 20 0 EHADRM CCC[C@@](C)(NC(=O)CC(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000236945496 1028603591 /nfs/dbraw/zinc/60/35/91/1028603591.db2.gz ODOOIDVPAHNFMN-OAQYLSRUSA-N -1 0 339.435 3.968 20 0 EHADRM CCN(C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1)[C@H]1CCCC[C@@H]1C ZINC000237046057 1028617949 /nfs/dbraw/zinc/61/79/49/1028617949.db2.gz XULQYJPUUGNHGN-GUYCJALGSA-N -1 0 347.455 3.808 20 0 EHADRM [O-]c1ccc(-c2nc(-c3cccc(-n4ccnc4)c3)no2)cc1Cl ZINC000445233678 1028626001 /nfs/dbraw/zinc/62/60/01/1028626001.db2.gz JXJWSUJHSYPICK-UHFFFAOYSA-N -1 0 338.754 3.948 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cc(C)cc3cccnc32)cc1C ZINC000074795406 1028632813 /nfs/dbraw/zinc/63/28/13/1028632813.db2.gz VLWWGRVSVKUWBG-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM CCc1sc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2C)cc1C ZINC000237104518 1028641081 /nfs/dbraw/zinc/64/10/81/1028641081.db2.gz HKRQKRJKIIGRNK-CQSZACIVSA-N -1 0 331.437 3.873 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])s1)c1nc(C(C)(C)C)cs1 ZINC000237603384 1028657079 /nfs/dbraw/zinc/65/70/79/1028657079.db2.gz XMBOBDMYOQQFIG-QMMMGPOBSA-N -1 0 338.454 3.691 20 0 EHADRM Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2C)cc1Cl ZINC000237612484 1028658537 /nfs/dbraw/zinc/65/85/37/1028658537.db2.gz ALMDJNFRFJMTBK-MRXNPFEDSA-N -1 0 331.799 3.903 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)N([C@@H](C)C(=O)[O-])C2CCC2)cc1 ZINC000583062487 1028700480 /nfs/dbraw/zinc/70/04/80/1028700480.db2.gz IVHOWFOHPYURGL-AWEZNQCLSA-N -1 0 348.443 3.971 20 0 EHADRM CC[C@@](C)(NC(=O)NCc1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000583061729 1028725901 /nfs/dbraw/zinc/72/59/01/1028725901.db2.gz LLTFXQPAGVLRID-LJQANCHMSA-N -1 0 342.395 3.531 20 0 EHADRM O=C([O-])CCOc1ccc(/C=C\c2ccc3cccc(O)c3n2)cc1 ZINC000611744067 1028734403 /nfs/dbraw/zinc/73/44/03/1028734403.db2.gz GLFTYBAJTKBPRP-YWEYNIOJSA-N -1 0 335.359 3.964 20 0 EHADRM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]c3ccccc3C(F)F)cn21 ZINC000424078517 1028777184 /nfs/dbraw/zinc/77/71/84/1028777184.db2.gz DROZHDZQRWWRLA-SNVBAGLBSA-N -1 0 341.383 3.519 20 0 EHADRM Cc1ccc(Oc2ccccc2NC(=O)[C@H](C)O[C@@H](C)C(=O)[O-])cc1 ZINC000421806728 1028792349 /nfs/dbraw/zinc/79/23/49/1028792349.db2.gz MMESDFJFPWENAP-KBPBESRZSA-N -1 0 343.379 3.604 20 0 EHADRM Oc1ccc(-c2noc(-c3ccc4c(c3)OCCCO4)n2)c(Cl)c1 ZINC000445442918 1028800083 /nfs/dbraw/zinc/80/00/83/1028800083.db2.gz AZCPCHXDOOWFGL-UHFFFAOYSA-N -1 0 344.754 3.924 20 0 EHADRM C[C@H](N=c1nc(C(F)(F)F)[n-]s1)c1nc(C(F)(F)F)cs1 ZINC000343053763 1028835898 /nfs/dbraw/zinc/83/58/98/1028835898.db2.gz MTGYBCCZPBAPEV-VKHMYHEASA-N -1 0 348.297 3.627 20 0 EHADRM CC[C@H](NC(=O)N1C2CCC1(C(=O)[O-])CC2)c1ccc(Cl)s1 ZINC000929031293 1028881393 /nfs/dbraw/zinc/88/13/93/1028881393.db2.gz FGUOBRQPANTWTF-VOZQYIJBSA-N -1 0 342.848 3.644 20 0 EHADRM COc1cc(C)ccc1[N-]S(=O)(=O)c1cccc(C(F)F)c1 ZINC000780377284 1028931596 /nfs/dbraw/zinc/93/15/96/1028931596.db2.gz KFBBYAQGDKMTEB-UHFFFAOYSA-N -1 0 327.352 3.742 20 0 EHADRM C[C@@H]1CCCN(Cc2csc(CCc3ccccc3)n2)[C@H]1C(=O)[O-] ZINC000424270445 1028942098 /nfs/dbraw/zinc/94/20/98/1028942098.db2.gz NLBKCKLKVVZVEN-RDTXWAMCSA-N -1 0 344.480 3.613 20 0 EHADRM Cn1c(Nc2cc(S(=O)(=O)[O-])ccc2Cl)cc2ccccc21 ZINC001212051987 1028943777 /nfs/dbraw/zinc/94/37/77/1028943777.db2.gz ATUDHKKDSSOHRL-UHFFFAOYSA-N -1 0 336.800 3.822 20 0 EHADRM CCC(CC)(CC(=O)N[C@H](C)c1cccc(N2CCCC2)c1)C(=O)[O-] ZINC000445640601 1029023293 /nfs/dbraw/zinc/02/32/93/1029023293.db2.gz ANQTWLNIJRBVBL-OAHLLOKOSA-N -1 0 346.471 3.745 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccccc1C(C)(F)F)C(=O)[O-] ZINC000424393358 1029026052 /nfs/dbraw/zinc/02/60/52/1029026052.db2.gz WGXFPTKIUAANJM-LLVKDONJSA-N -1 0 328.359 3.667 20 0 EHADRM Cc1ccc(CNC(=O)CC(C)(C)C(=O)[O-])c(Oc2ccccc2)c1 ZINC000445648904 1029035656 /nfs/dbraw/zinc/03/56/56/1029035656.db2.gz FXCUPYBLKCHMRL-UHFFFAOYSA-N -1 0 341.407 3.904 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CN(C(=O)NCCC(C)(C)C(=O)[O-])C2CC2)o1 ZINC000424397970 1029051042 /nfs/dbraw/zinc/05/10/42/1029051042.db2.gz LXHAVULQSKLQOE-WFASDCNBSA-N -1 0 348.443 3.578 20 0 EHADRM COc1c(C)ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1C ZINC000031722644 1029063980 /nfs/dbraw/zinc/06/39/80/1029063980.db2.gz PJSPAZPEXJRQAK-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM Cc1ccc(-c2[n-][nH]c(=NC(=O)c3cnc4ccsc4c3)c2C)o1 ZINC000532915043 1029064542 /nfs/dbraw/zinc/06/45/42/1029064542.db2.gz YEAVZRWFJGRNCG-UHFFFAOYSA-N -1 0 338.392 3.570 20 0 EHADRM Cc1conc1[N-]S(=O)(=O)c1ccc2oc3ccccc3c2c1 ZINC000532934184 1029100070 /nfs/dbraw/zinc/10/00/70/1029100070.db2.gz LABXQFHYKJIJNR-UHFFFAOYSA-N -1 0 328.349 3.683 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)c1cc(Cl)ccc1OC1CCCC1 ZINC000237413486 1029175898 /nfs/dbraw/zinc/17/58/98/1029175898.db2.gz ZLNJBOHHSDDGDF-LLVKDONJSA-N -1 0 339.819 3.645 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)CCCOCc1ccccc1 ZINC000271961305 1029249694 /nfs/dbraw/zinc/24/96/94/1029249694.db2.gz MUQPEDCIEVNYDN-UHFFFAOYSA-N -1 0 335.444 3.525 20 0 EHADRM O=S(=O)([N-][C@H](c1ccccc1)C(F)F)c1ccc(Cl)cc1F ZINC000431617956 1029332430 /nfs/dbraw/zinc/33/24/30/1029332430.db2.gz DJRHGUIRPRETJD-CYBMUJFWSA-N -1 0 349.761 3.764 20 0 EHADRM FC(F)(F)c1cscc1CN=c1[n-]nc(Cc2ccsc2)o1 ZINC000357716058 1029361228 /nfs/dbraw/zinc/36/12/28/1029361228.db2.gz ZWDHJHGNYRKCQA-UHFFFAOYSA-N -1 0 345.371 3.836 20 0 EHADRM CC(C)CN=c1[n-]nc(SCC(=O)C(C)(C)c2ccccc2)s1 ZINC000476002048 1029436908 /nfs/dbraw/zinc/43/69/08/1029436908.db2.gz ZEDWTRIQIAQPHC-UHFFFAOYSA-N -1 0 349.525 3.667 20 0 EHADRM CCc1oc(C(=O)N2C[C@@H](c3ccccc3)C[C@@H]2C)cc1C(=O)[O-] ZINC000261601652 1029458645 /nfs/dbraw/zinc/45/86/45/1029458645.db2.gz BVZYZOBJSZBGAJ-JSGCOSHPSA-N -1 0 327.380 3.558 20 0 EHADRM CCc1oc(C(=O)N2CCC[C@@H]2CCc2ccccc2)cc1C(=O)[O-] ZINC000261628605 1029462934 /nfs/dbraw/zinc/46/29/34/1029462934.db2.gz IZRHSJRYDZPIDG-OAHLLOKOSA-N -1 0 341.407 3.778 20 0 EHADRM CCc1oc(C(=O)N2CCCC[C@H]2c2nc(C)cs2)cc1C(=O)[O-] ZINC000261708783 1029486259 /nfs/dbraw/zinc/48/62/59/1029486259.db2.gz VANAHFZQMJYEKH-LBPRGKRZSA-N -1 0 348.424 3.673 20 0 EHADRM CCc1oc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1C(=O)[O-] ZINC000261703010 1029487480 /nfs/dbraw/zinc/48/74/80/1029487480.db2.gz UCIQFTCSWBFXPB-CQSZACIVSA-N -1 0 331.343 3.657 20 0 EHADRM CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(C)[C@H](C)CC(=O)[O-] ZINC000583275016 1029515988 /nfs/dbraw/zinc/51/59/88/1029515988.db2.gz YBTHAYPISVWXNU-DGCLKSJQSA-N -1 0 345.361 3.596 20 0 EHADRM C[C@H](C(=O)[N-]OCCC(F)(F)F)c1ccc(Br)s1 ZINC000162836499 1029551580 /nfs/dbraw/zinc/55/15/80/1029551580.db2.gz GVPWUCAZNMAFAF-LURJTMIESA-N -1 0 346.168 3.614 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2sc(C)nc2CC(C)C)c1 ZINC000272709311 1029575043 /nfs/dbraw/zinc/57/50/43/1029575043.db2.gz VBKHFGFZTZAPOZ-UHFFFAOYSA-N -1 0 332.425 3.811 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)N[C@@H](C)c1ccccc1 ZINC000583300831 1029596350 /nfs/dbraw/zinc/59/63/50/1029596350.db2.gz VXWMCBVZVCNEKA-YJBOKZPZSA-N -1 0 340.423 3.995 20 0 EHADRM CCCN(C)c1ccc(C(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC000262562494 1029606662 /nfs/dbraw/zinc/60/66/62/1029606662.db2.gz WUXAAYFXVIMIQM-UHFFFAOYSA-N -1 0 340.423 3.802 20 0 EHADRM O=C([O-])CC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(Br)c1 ZINC000050924897 1029612431 /nfs/dbraw/zinc/61/24/31/1029612431.db2.gz LMOIDVLMSQSYTJ-LBPRGKRZSA-N -1 0 344.224 3.808 20 0 EHADRM CCCOc1ccc(C[NH2+][C@H](C(=O)[O-])c2ccccc2)cc1OCC ZINC000262721842 1029626925 /nfs/dbraw/zinc/62/69/25/1029626925.db2.gz WAHBJCFFJYOXBB-IBGZPJMESA-N -1 0 343.423 3.790 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)c2ccccc2Oc2ccccc2)C1 ZINC000262834497 1029643318 /nfs/dbraw/zinc/64/33/18/1029643318.db2.gz BXNZIUKXXJOYFW-FQEVSTJZSA-N -1 0 339.391 3.806 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)C[C@@H](C)Cc1cccc(F)c1 ZINC000262905944 1029650882 /nfs/dbraw/zinc/65/08/82/1029650882.db2.gz JDFXZAMCGGJVFW-LBPRGKRZSA-N -1 0 345.370 3.740 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C1(Cc2ccccc2F)CC1 ZINC000262931459 1029651328 /nfs/dbraw/zinc/65/13/28/1029651328.db2.gz BICRRTHUQCVLKO-UHFFFAOYSA-N -1 0 341.382 3.505 20 0 EHADRM CCOc1ccccc1-c1cccc(C(=O)N[C@H](C)CCC(=O)[O-])c1 ZINC000262944224 1029651919 /nfs/dbraw/zinc/65/19/19/1029651919.db2.gz LVFNMNJILJWEFM-CQSZACIVSA-N -1 0 341.407 3.735 20 0 EHADRM Cc1ccc2c(CC(=O)N[C@](C)(CC(=O)[O-])C(C)C)coc2c1C ZINC000262998235 1029655432 /nfs/dbraw/zinc/65/54/32/1029655432.db2.gz OQSJRYJOTCONIK-LJQANCHMSA-N -1 0 331.412 3.598 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccccc1OCC(C)C ZINC000525012696 1029657140 /nfs/dbraw/zinc/65/71/40/1029657140.db2.gz IFHSHOHZKNWTCO-UHFFFAOYSA-N -1 0 325.455 3.892 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccccc2-c2cccs2)C1 ZINC000263039259 1029658976 /nfs/dbraw/zinc/65/89/76/1029658976.db2.gz CCXZSUCNCUPCNM-QWHCGFSZSA-N -1 0 344.436 3.990 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cccc(OC3CCCC3)c2)CCCC1 ZINC000263035169 1029659071 /nfs/dbraw/zinc/65/90/71/1029659071.db2.gz ZFOIEMOEGXLOOV-UHFFFAOYSA-N -1 0 331.412 3.525 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)c1ccc(Oc2ccccc2)o1 ZINC000263115437 1029667778 /nfs/dbraw/zinc/66/77/78/1029667778.db2.gz WSHHMPNWRPVAMG-SFHVURJKSA-N -1 0 331.368 3.691 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N3C[C@H](C(=O)[O-])CC[C@@H]3C)o2)cc1 ZINC000263143112 1029668829 /nfs/dbraw/zinc/66/88/29/1029668829.db2.gz GXHXEYRQFZWEAH-XJKSGUPXSA-N -1 0 341.407 3.834 20 0 EHADRM CC(C)Sc1ccc(C(=O)N2CC[C@@](C(=O)[O-])(C(C)C)C2)cc1 ZINC000263150306 1029670503 /nfs/dbraw/zinc/67/05/03/1029670503.db2.gz ZBGWVPXERNEUSD-SFHVURJKSA-N -1 0 335.469 3.760 20 0 EHADRM Cc1ccc(O[C@H](C)C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)cc1 ZINC000263168211 1029670509 /nfs/dbraw/zinc/67/05/09/1029670509.db2.gz FQEOVIWSMPTIHX-UONOGXRCSA-N -1 0 327.380 3.589 20 0 EHADRM CCC[C@H](CNC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000263188749 1029671469 /nfs/dbraw/zinc/67/14/69/1029671469.db2.gz MIEJSDFXKVKDEO-ICCXJUOJSA-N -1 0 344.238 3.714 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)CCCc2ccc(Cl)cc2)s1 ZINC000263201338 1029672756 /nfs/dbraw/zinc/67/27/56/1029672756.db2.gz MKTWFEUDURLKRP-UHFFFAOYSA-N -1 0 337.828 3.739 20 0 EHADRM CC(C)[C@@H](CC(=O)NCc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000263275812 1029682862 /nfs/dbraw/zinc/68/28/62/1029682862.db2.gz WPXKRYYUWWUZHG-OAHLLOKOSA-N -1 0 331.437 3.892 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2ccnc3c(Br)cccc32)C1 ZINC000263279727 1029683415 /nfs/dbraw/zinc/68/34/15/1029683415.db2.gz XDYWZACVOCGCDS-MNOVXSKESA-N -1 0 349.228 3.544 20 0 EHADRM C/C=C/C[C@@H](NC(=O)c1cc(SC)c(Cl)cc1Cl)C(=O)[O-] ZINC000263306505 1029685934 /nfs/dbraw/zinc/68/59/34/1029685934.db2.gz VZTPYSJLIYEFRR-PGLGOXFNSA-N -1 0 348.251 3.865 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1CCC[C@@H](C(=O)[O-])[C@H]1C ZINC000263350069 1029689933 /nfs/dbraw/zinc/68/99/33/1029689933.db2.gz PNZGAHYUJPLXRR-ZYHUDNBSSA-N -1 0 335.400 3.674 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)cc1 ZINC000263357466 1029690337 /nfs/dbraw/zinc/69/03/37/1029690337.db2.gz XLGUYPJJWRWWES-GOPGUHFVSA-N -1 0 327.355 3.756 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)c1 ZINC000263346086 1029690814 /nfs/dbraw/zinc/69/08/14/1029690814.db2.gz UAXXCZIBYVIMIU-GUYCJALGSA-N -1 0 341.382 3.851 20 0 EHADRM CC(C)c1csc(NC(=O)c2cccc(Br)c2[O-])n1 ZINC000525119353 1029691813 /nfs/dbraw/zinc/69/18/13/1029691813.db2.gz YSRKJSKONLIMNS-UHFFFAOYSA-N -1 0 341.230 3.987 20 0 EHADRM C[C@H](CN(C)C(=O)CCc1ccccc1C(=O)[O-])c1ccccc1 ZINC000262280961 1029712662 /nfs/dbraw/zinc/71/26/62/1029712662.db2.gz ZLOIKGXDWBQYMV-OAHLLOKOSA-N -1 0 325.408 3.580 20 0 EHADRM Cc1nc(C=Cc2c(Cl)cccc2Cl)[nH]c(=O)c1CC(=O)[O-] ZINC000347383536 1029717502 /nfs/dbraw/zinc/71/75/02/1029717502.db2.gz OEVLIKMAHFCYGR-WAYWQWQTSA-N -1 0 339.178 3.595 20 0 EHADRM C[C@@H]1c2ccccc2CN1C(=O)[C@](C)(CC(=O)[O-])c1ccsc1 ZINC000634930859 1029719414 /nfs/dbraw/zinc/71/94/14/1029719414.db2.gz OZZABGURGKSWJN-KZULUSFZSA-N -1 0 329.421 3.584 20 0 EHADRM CCCc1c([N-]S(=O)(=O)c2ccco2)cnn1-c1cccc(C)c1 ZINC000446627532 1029728504 /nfs/dbraw/zinc/72/85/04/1029728504.db2.gz YPUORNFBEMTWAF-UHFFFAOYSA-N -1 0 345.424 3.527 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2nc(C(C)C)cs2)c(C)c1 ZINC000525212647 1029755218 /nfs/dbraw/zinc/75/52/18/1029755218.db2.gz VEZAPLNVMISVJQ-UHFFFAOYSA-N -1 0 340.470 3.774 20 0 EHADRM Clc1ccc([C@@H](CN=c2[n-]nc(C3CC3)o2)OCC2CC2)cc1 ZINC000343218669 1029789018 /nfs/dbraw/zinc/78/90/18/1029789018.db2.gz BQWIHHMMXDDZMW-OAHLLOKOSA-N -1 0 333.819 3.602 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)Cc2ccccc2Cl)n1 ZINC000446759125 1029791478 /nfs/dbraw/zinc/79/14/78/1029791478.db2.gz NNVYIYQEFBGHNE-UHFFFAOYSA-N -1 0 330.862 3.691 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)c(C)s1 ZINC000525368865 1029815209 /nfs/dbraw/zinc/81/52/09/1029815209.db2.gz BXNTYUYTIMCSAF-UHFFFAOYSA-N -1 0 337.466 3.955 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2OC(F)F)s1 ZINC000119986557 1029891959 /nfs/dbraw/zinc/89/19/59/1029891959.db2.gz HDLIMGYMHOZQRL-UHFFFAOYSA-N -1 0 333.381 3.767 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2ccc(OCC3CC3)cc2)c1 ZINC000262328231 1029946083 /nfs/dbraw/zinc/94/60/83/1029946083.db2.gz ALDOVJVVEZMRQW-UHFFFAOYSA-N -1 0 339.391 3.745 20 0 EHADRM CO[C@@H](C)c1nc(=Nc2cccc(COCc3ccco3)c2)s[n-]1 ZINC000509641533 1029957994 /nfs/dbraw/zinc/95/79/94/1029957994.db2.gz SXZCQCDGXBDQSI-LBPRGKRZSA-N -1 0 345.424 3.721 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cncc(Cl)c2)cc1OC(C)C ZINC000447272101 1030058395 /nfs/dbraw/zinc/05/83/95/1030058395.db2.gz BSFBGRKERSWMSD-UHFFFAOYSA-N -1 0 340.832 3.631 20 0 EHADRM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1cc(C(C)(C)C)on1 ZINC000481898363 1030103982 /nfs/dbraw/zinc/10/39/82/1030103982.db2.gz NXDDKXQMGJDTJO-UHFFFAOYSA-N -1 0 345.424 3.630 20 0 EHADRM N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)CCC1CCCCC1 ZINC000042307584 1030112290 /nfs/dbraw/zinc/11/22/90/1030112290.db2.gz FASLJNSRQOIOEV-UHFFFAOYSA-N -1 0 334.441 3.705 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2sccc2OC)cc1Cl ZINC000120922875 1030128722 /nfs/dbraw/zinc/12/87/22/1030128722.db2.gz FAIRQKDCWAJINW-UHFFFAOYSA-N -1 0 347.845 3.610 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N(C)CC3CCC3)s2)c1 ZINC000481961775 1030136273 /nfs/dbraw/zinc/13/62/73/1030136273.db2.gz VPYSJLCYZMTKGP-UHFFFAOYSA-N -1 0 330.457 3.508 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(OC(C)C)cc2)s1 ZINC000042316442 1030141422 /nfs/dbraw/zinc/14/14/22/1030141422.db2.gz CXYOHFRBGPZMKS-UHFFFAOYSA-N -1 0 339.438 3.537 20 0 EHADRM CC[C@@H](C)CN(CC)C(=O)N=c1[n-]nc(-c2ccc(OC)cc2)s1 ZINC000481966306 1030146968 /nfs/dbraw/zinc/14/69/68/1030146968.db2.gz WDBWEFODYIFFFQ-GFCCVEGCSA-N -1 0 348.472 3.536 20 0 EHADRM O=C(c1cc(Cl)cc(Br)c1[O-])N1CCC2(CCC2)C1 ZINC000163220070 1030167242 /nfs/dbraw/zinc/16/72/42/1030167242.db2.gz ZVCMIQWAPQILNF-UHFFFAOYSA-N -1 0 344.636 3.824 20 0 EHADRM CC(C)(C)c1coc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)n1 ZINC000550793545 1030175505 /nfs/dbraw/zinc/17/55/05/1030175505.db2.gz QDPDVBSQGHLGME-UHFFFAOYSA-N -1 0 334.441 3.652 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2C[C@H](C)C[C@H](C)[C@@H]2C)n1 ZINC000476549935 1030177981 /nfs/dbraw/zinc/17/79/81/1030177981.db2.gz VBWMKWCVXNVHMX-DYEKYZERSA-N -1 0 345.418 3.532 20 0 EHADRM CC(C)(C)C(=O)Nc1ccc(-c2cccc(CCC(=O)[O-])c2)cn1 ZINC000583575432 1030186015 /nfs/dbraw/zinc/18/60/15/1030186015.db2.gz FKLCLTOXQKSOMP-UHFFFAOYSA-N -1 0 326.396 3.750 20 0 EHADRM O=C(NC1CCOCC1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000121264407 1030226446 /nfs/dbraw/zinc/22/64/46/1030226446.db2.gz BRTLBKWDUPVLIX-UHFFFAOYSA-N -1 0 331.799 3.621 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCS[C@H]2CCCC[C@@H]21 ZINC000158084446 1030264957 /nfs/dbraw/zinc/26/49/57/1030264957.db2.gz AKAYJJWBLVCPEL-STQMWFEESA-N -1 0 329.824 3.685 20 0 EHADRM Cn1cc(-c2ccccc2CN=c2nc(-c3ccccc3)[n-]s2)cn1 ZINC000536086949 1030274905 /nfs/dbraw/zinc/27/49/05/1030274905.db2.gz MTMVTFFUQFJXNG-UHFFFAOYSA-N -1 0 347.447 3.640 20 0 EHADRM CC1(CNC(=O)NCc2ccc(O)c(Br)c2)CCCC1 ZINC000482468513 1030453565 /nfs/dbraw/zinc/45/35/65/1030453565.db2.gz JFKZOVRTBRGISU-UHFFFAOYSA-N -1 0 341.249 3.534 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)[C@H](C)c3ccc(Cl)s3)[nH][n-]2)o1 ZINC000447803403 1030503910 /nfs/dbraw/zinc/50/39/10/1030503910.db2.gz SPIGVRZAWYDGPG-SECBINFHSA-N -1 0 335.816 3.857 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)c3c[nH]cc3-c3ccccc3)[nH][n-]2)o1 ZINC000447804463 1030505353 /nfs/dbraw/zinc/50/53/53/1030505353.db2.gz YSZFATRYPZASOL-UHFFFAOYSA-N -1 0 332.363 3.647 20 0 EHADRM O=S(=O)([N-]c1cccc2ccncc21)c1ccc(F)cc1Cl ZINC000532291940 1030524069 /nfs/dbraw/zinc/52/40/69/1030524069.db2.gz MWIZFHMAWDYSJF-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM CC(C)C[C@H](CNC(=O)C[C@H](C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000431536911 1030524758 /nfs/dbraw/zinc/52/47/58/1030524758.db2.gz MWDAEFMSRVINSZ-UKRRQHHQSA-N -1 0 339.863 3.772 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)[C@H](C)CC2CCCC2)c1 ZINC000532260198 1030524847 /nfs/dbraw/zinc/52/48/47/1030524847.db2.gz UVOLGQZSDJJNHG-DYVFJYSZSA-N -1 0 333.428 3.544 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1[nH]c2ccccc2c1Cl ZINC000532258407 1030525910 /nfs/dbraw/zinc/52/59/10/1030525910.db2.gz PPWVCXRBTOLTST-UHFFFAOYSA-N -1 0 342.782 3.792 20 0 EHADRM CCCc1nc(=NC(=O)N2C[C@@H](c3ccc(C)cc3)C[C@@H]2C)s[n-]1 ZINC000583721857 1030563482 /nfs/dbraw/zinc/56/34/82/1030563482.db2.gz TXYFKZTUEIRXJE-ZFWWWQNUSA-N -1 0 344.484 3.631 20 0 EHADRM Cc1cc(Br)c(O)c(NC(=O)[C@@H]2Cc3ccccc32)c1 ZINC000482609900 1030572153 /nfs/dbraw/zinc/57/21/53/1030572153.db2.gz ZKDWZSZLVODKLY-GFCCVEGCSA-N -1 0 332.197 3.742 20 0 EHADRM Cc1oc(-c2ccsc2)nc1CN(CC(=O)[O-])c1ccccc1 ZINC000347361282 1030579231 /nfs/dbraw/zinc/57/92/31/1030579231.db2.gz WBLSZMFJRCNVCT-UHFFFAOYSA-N -1 0 328.393 3.803 20 0 EHADRM Cc1cc(C)cc([C@@H]2CCN(C(=O)C3CCC(C(=O)[O-])CC3)C2)c1 ZINC000194445270 1030610465 /nfs/dbraw/zinc/61/04/65/1030610465.db2.gz QPVXQIRBRYPLBG-OFLPRAFFSA-N -1 0 329.440 3.510 20 0 EHADRM CCSc1n[n-]c(=NCc2csc(-c3ccsc3)n2)s1 ZINC000447955523 1030627298 /nfs/dbraw/zinc/62/72/98/1030627298.db2.gz QGHAEUAMQMHFEW-UHFFFAOYSA-N -1 0 340.524 3.869 20 0 EHADRM Cc1cccc(CN(C)C(=O)N=c2nc(-c3ccsc3)[n-]s2)c1 ZINC000448001434 1030650252 /nfs/dbraw/zinc/65/02/52/1030650252.db2.gz QMEGKCDGOPIOGU-UHFFFAOYSA-N -1 0 344.465 3.661 20 0 EHADRM O=C([O-])Cc1cc(Cl)ccc1-c1ccc(O[C@H]2CCOC2)cc1 ZINC000583763583 1030673890 /nfs/dbraw/zinc/67/38/90/1030673890.db2.gz DEAWSJRORGNDBR-INIZCTEOSA-N -1 0 332.783 3.802 20 0 EHADRM Cc1cccc(O)c1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000194242236 1030757642 /nfs/dbraw/zinc/75/76/42/1030757642.db2.gz ODQOFYZTRRRZLT-UHFFFAOYSA-N -1 0 331.315 3.520 20 0 EHADRM CCOc1cc([N-]S(=O)(=O)c2ccc(Cl)s2)ccc1C ZINC000550874669 1030770295 /nfs/dbraw/zinc/77/02/95/1030770295.db2.gz WUSSYWRMSUKSAO-UHFFFAOYSA-N -1 0 331.846 3.909 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)N=c2ccc(C3CC3)n[n-]2)s1 ZINC000448153782 1030776327 /nfs/dbraw/zinc/77/63/27/1030776327.db2.gz GEGMKHJXADMRKV-CQSZACIVSA-N -1 0 328.441 3.515 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(CC)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000448157502 1030779036 /nfs/dbraw/zinc/77/90/36/1030779036.db2.gz SBEIWMOZDKDNFF-KRWDZBQOSA-N -1 0 338.455 3.651 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2c(C)nn(C(C)C)c2C)cc1C ZINC000537655138 1030865643 /nfs/dbraw/zinc/86/56/43/1030865643.db2.gz ODCATSVLAWTDFZ-UHFFFAOYSA-N -1 0 335.473 3.752 20 0 EHADRM Cc1cccc(F)c1NS(=O)(=O)c1ccc(Br)cc1 ZINC000123039935 1030867482 /nfs/dbraw/zinc/86/74/82/1030867482.db2.gz OHAYBFSCDYBWPU-UHFFFAOYSA-N -1 0 344.205 3.697 20 0 EHADRM CC(C)=C[C@H]1[C@H](C(=O)N=c2[nH]n(CC(F)(F)F)cc2Cl)C1(C)C ZINC000648434000 1030909897 /nfs/dbraw/zinc/90/98/97/1030909897.db2.gz YFWIXONOOPHITR-GXSJLCMTSA-N -1 0 349.784 3.698 20 0 EHADRM CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1ccccc1C(C)C ZINC000194597744 1030999481 /nfs/dbraw/zinc/99/94/81/1030999481.db2.gz DPVXUXDBVWADDC-UHFFFAOYSA-N -1 0 347.436 3.788 20 0 EHADRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000162373542 1031028071 /nfs/dbraw/zinc/02/80/71/1031028071.db2.gz VCWJCCGAYDVPDL-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM CC1(C)CN(C(=O)c2cccc(Br)c2[O-])[C@H]2CCC[C@H]21 ZINC000583955149 1031225141 /nfs/dbraw/zinc/22/51/41/1031225141.db2.gz GVFKOIDZXBEYMV-YPMHNXCESA-N -1 0 338.245 3.805 20 0 EHADRM Cc1c(S(=O)(=O)[N-]c2nc(C3CC3)cs2)c2ccccc2n1C ZINC000551388069 1031285493 /nfs/dbraw/zinc/28/54/93/1031285493.db2.gz SXPBXBNMYLQFLE-UHFFFAOYSA-N -1 0 347.465 3.621 20 0 EHADRM O=C(c1c(O)cccc1Cl)N1CCCO[C@@H](c2ccccc2)C1 ZINC000729863004 1031309062 /nfs/dbraw/zinc/30/90/62/1031309062.db2.gz LITCKENUOOISRT-MRXNPFEDSA-N -1 0 331.799 3.649 20 0 EHADRM COc1ccc2oc(CNc3cc(C(=O)[O-])ccc3OC)cc2c1 ZINC000551422846 1031317691 /nfs/dbraw/zinc/31/76/91/1031317691.db2.gz LGWNHUKJLBEIHW-UHFFFAOYSA-N -1 0 327.336 3.760 20 0 EHADRM Cc1cc2occ(C(=O)N3CC[C@@](C(=O)[O-])(C(C)C)C3)c2cc1C ZINC000668288035 1031398971 /nfs/dbraw/zinc/39/89/71/1031398971.db2.gz PKEIHORQVRQWJK-IBGZPJMESA-N -1 0 329.396 3.623 20 0 EHADRM Cc1ccc([C@H]2C[C@H](C)N(C(=O)CC3CCC(C(=O)[O-])CC3)C2)cc1 ZINC000668300663 1031418867 /nfs/dbraw/zinc/41/88/67/1031418867.db2.gz SGLZVYCCWPTWAP-GSHBMFQSSA-N -1 0 343.467 3.981 20 0 EHADRM CN(CC1CCCCC1)C(=O)N=c1[n-]nc(/C=C/c2ccco2)s1 ZINC000484009861 1031422956 /nfs/dbraw/zinc/42/29/56/1031422956.db2.gz OHLKDSKSDHKQNW-MDZDMXLPSA-N -1 0 346.456 3.767 20 0 EHADRM COCCCOc1cc(C)ccc1CN=c1nc(C(C)(C)C)[n-]s1 ZINC000477345141 1031480055 /nfs/dbraw/zinc/48/00/55/1031480055.db2.gz CRJSTTIMCXDZDN-UHFFFAOYSA-N -1 0 349.500 3.593 20 0 EHADRM COCCc1ccc(S(=O)(=O)[N-]c2csc3ccccc23)cc1 ZINC000484164219 1031481774 /nfs/dbraw/zinc/48/17/74/1031481774.db2.gz QZJQDDZVEUGFBT-UHFFFAOYSA-N -1 0 347.461 3.891 20 0 EHADRM O=S(=O)([N-]c1cc(F)cc(Cl)c1)c1cc(F)c(F)c(F)c1 ZINC000477413925 1031543889 /nfs/dbraw/zinc/54/38/89/1031543889.db2.gz KZWDIXVKZOKCPQ-UHFFFAOYSA-N -1 0 339.697 3.697 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N([C@@H](C)C(=O)[O-])C1CCC1 ZINC000562427162 1031685223 /nfs/dbraw/zinc/68/52/23/1031685223.db2.gz LOLQSFUVDWIHLS-SWLSCSKDSA-N -1 0 348.443 3.639 20 0 EHADRM CC[C@@H](NCc1cc(F)cc(C(F)(F)F)c1)c1nc(C(=O)[O-])c[nH]1 ZINC000904063658 1031690117 /nfs/dbraw/zinc/69/01/17/1031690117.db2.gz BKIDELJVEUUJOW-LLVKDONJSA-N -1 0 345.296 3.507 20 0 EHADRM Cc1cccc(C)c1C[C@H](NCc1nc(C(C)(C)C)cs1)C(=O)[O-] ZINC000904071614 1031697920 /nfs/dbraw/zinc/69/79/20/1031697920.db2.gz GBAFVZHHEHRXPJ-HNNXBMFYSA-N -1 0 346.496 3.843 20 0 EHADRM CC(C)[C@@H]1CCCN1C(=O)c1cc(Br)c(F)cc1[O-] ZINC000448801118 1031707643 /nfs/dbraw/zinc/70/76/43/1031707643.db2.gz OCHXROWRINYNEI-LBPRGKRZSA-N -1 0 330.197 3.554 20 0 EHADRM CSc1cc(Br)ccc1CN1[C@@H](C)CC[C@H]1C(=O)[O-] ZINC000650794923 1031716196 /nfs/dbraw/zinc/71/61/96/1031716196.db2.gz KOWXOQXTHVSHGI-CABZTGNLSA-N -1 0 344.274 3.609 20 0 EHADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000475735321 1031717038 /nfs/dbraw/zinc/71/70/38/1031717038.db2.gz CGBAHENGAWGDGB-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM Cc1c(Br)cccc1NC(=O)C1CCC(C(=O)[O-])CC1 ZINC000194943535 1031771981 /nfs/dbraw/zinc/77/19/81/1031771981.db2.gz NJQWPAFVHMHEHS-UHFFFAOYSA-N -1 0 340.217 3.587 20 0 EHADRM O=C([O-])C1CCN(c2ccc(CN3CCCc4ccccc43)o2)CC1 ZINC000904189544 1031837196 /nfs/dbraw/zinc/83/71/96/1031837196.db2.gz QWACGTUVFBPPJB-UHFFFAOYSA-N -1 0 340.423 3.533 20 0 EHADRM O=C([O-])N[C@H]1C[C@H](Nc2ccc(N3CCCCC3)cc2)C12CCC2 ZINC000904194993 1031841923 /nfs/dbraw/zinc/84/19/23/1031841923.db2.gz PQPSQEJKDOPJAC-IRXDYDNUSA-N -1 0 329.444 3.668 20 0 EHADRM Cc1ccc(N[C@@H]2C[C@H](NC(=O)[O-])C23CCC3)cc1-c1ncco1 ZINC000904198552 1031844743 /nfs/dbraw/zinc/84/47/43/1031844743.db2.gz AKPXEWVPIWVGJG-CABCVRRESA-N -1 0 327.384 3.641 20 0 EHADRM Cc1ccc(-c2ncco2)cc1N[C@@H]1C[C@@H](NC(=O)[O-])C12CCC2 ZINC000904201045 1031846909 /nfs/dbraw/zinc/84/69/09/1031846909.db2.gz XOMDBDZDCBSASY-HUUCEWRRSA-N -1 0 327.384 3.641 20 0 EHADRM O=C([O-])N[C@@H]1C[C@@H](Nc2cccc(CC(F)(F)F)c2)C12CCC2 ZINC000904201244 1031848696 /nfs/dbraw/zinc/84/86/96/1031848696.db2.gz ZFGZFBPHWKCMDM-CHWSQXEVSA-N -1 0 328.334 3.782 20 0 EHADRM C[C@H]1CCC[C@H](C)N1C(=O)c1cc(Br)c(F)cc1[O-] ZINC000448904999 1031862930 /nfs/dbraw/zinc/86/29/30/1031862930.db2.gz WTGMALMSBKAKEA-IUCAKERBSA-N -1 0 330.197 3.697 20 0 EHADRM CCc1cc(NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)ccc1F ZINC000904239507 1031888657 /nfs/dbraw/zinc/88/86/57/1031888657.db2.gz MGYXYUJPQJVBAA-UHFFFAOYSA-N -1 0 346.402 3.894 20 0 EHADRM Cc1cccc([C@@H](NCc2ccc(CSC(F)F)o2)C(=O)[O-])c1 ZINC000904263094 1031891790 /nfs/dbraw/zinc/89/17/90/1031891790.db2.gz QFFVSXHQKCNGMD-CQSZACIVSA-N -1 0 341.379 3.959 20 0 EHADRM COc1cc(N[C@@H]2C[C@@H](NC(=O)[O-])C23CCC3)cc2ccccc21 ZINC000904261521 1031908221 /nfs/dbraw/zinc/90/82/21/1031908221.db2.gz FBXTZMCYEQWBLC-IAGOWNOFSA-N -1 0 326.396 3.839 20 0 EHADRM COc1nccc2cc(NC(=O)CC3(CC(=O)[O-])CCCC3)ccc21 ZINC000666108436 1031950170 /nfs/dbraw/zinc/95/01/70/1031950170.db2.gz KWGGWHYHEVLVKD-UHFFFAOYSA-N -1 0 342.395 3.607 20 0 EHADRM CC(C)C[C@@H](NC(=O)Cc1ccc(C(=O)[O-])cc1)c1cccs1 ZINC000448986575 1032018926 /nfs/dbraw/zinc/01/89/26/1032018926.db2.gz MKYPQOFIJNMWIB-OAHLLOKOSA-N -1 0 331.437 3.892 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cc(C)ccc2C)nn1-c1ccccc1 ZINC000536658179 1032046737 /nfs/dbraw/zinc/04/67/37/1032046737.db2.gz RVJBBZRPOSLAIZ-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CCCCC(=O)OC(C)(C)C)c1 ZINC000594361679 1033313033 /nfs/dbraw/zinc/31/30/33/1033313033.db2.gz JULWUVMJFGGYQC-UHFFFAOYSA-N -1 0 349.427 3.826 20 0 EHADRM c1nc(-c2ccccc2)sc1CN=c1[n-]nc(CC2CCCC2)o1 ZINC000537489372 1033356004 /nfs/dbraw/zinc/35/60/04/1033356004.db2.gz RARMBPRUYGHOMO-UHFFFAOYSA-N -1 0 340.452 3.960 20 0 EHADRM CC1(C)Cc2cc(CN=c3[n-]nc(CC4CCCC4)o3)ccc2O1 ZINC000537489104 1033359239 /nfs/dbraw/zinc/35/92/39/1033359239.db2.gz JNRXOZBUVKSQMU-UHFFFAOYSA-N -1 0 327.428 3.550 20 0 EHADRM O=C([O-])c1nc(-c2ccccc2OC[C@H]2CCOC2)sc1C1CC1 ZINC000574704495 1033363619 /nfs/dbraw/zinc/36/36/19/1033363619.db2.gz NKQUCIVLYANZCJ-NSHDSACASA-N -1 0 345.420 3.801 20 0 EHADRM C[C@@H](CC(=O)N1CCC[C@]1(C)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000263443163 1033386232 /nfs/dbraw/zinc/38/62/32/1033386232.db2.gz MUHZVZFWJAFKIE-MEDUHNTESA-N -1 0 343.345 3.665 20 0 EHADRM Cc1c(C(F)(F)F)[n-][nH]c1=NC(=O)[C@H](C)CCc1cccc(F)c1 ZINC000608120768 1033481368 /nfs/dbraw/zinc/48/13/68/1033481368.db2.gz SMDWRVBXSVFTQB-SECBINFHSA-N -1 0 343.324 3.505 20 0 EHADRM CCC[C@H](C(=O)[O-])[S@@](=O)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000594658951 1033493949 /nfs/dbraw/zinc/49/39/49/1033493949.db2.gz AMAGPJOIYXSZHE-FIKIJFGZSA-N -1 0 342.766 3.861 20 0 EHADRM Cc1cc(C(=O)[O-])cc(-c2cc(F)ccc2OC[C@@H]2CCOC2)c1 ZINC000516315933 1033504575 /nfs/dbraw/zinc/50/45/75/1033504575.db2.gz WSIMBVRETFNEQG-CYBMUJFWSA-N -1 0 330.355 3.915 20 0 EHADRM COc1ccc(S(=O)(=O)C=C([O-])c2cc(C)c(C)c(C)c2C)cc1 ZINC000685575689 1033584474 /nfs/dbraw/zinc/58/44/74/1033584474.db2.gz WUOWSXPSIMFTOE-UHFFFAOYSA-N -1 0 346.448 3.585 20 0 EHADRM C[C@@H]1C[C@@H]1[C@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000608340534 1033645033 /nfs/dbraw/zinc/64/50/33/1033645033.db2.gz NLABMLSVZZJCLP-VBCDNDGESA-N -1 0 347.842 3.820 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)N([C@H](C)C(=O)[O-])C2CCC2)c1 ZINC000574867563 1033684604 /nfs/dbraw/zinc/68/46/04/1033684604.db2.gz OYGPTBZGLIFDNN-CQSZACIVSA-N -1 0 348.443 3.971 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2nn(-c3ccccc3)cc2C)c1 ZINC000080940048 1033685720 /nfs/dbraw/zinc/68/57/20/1033685720.db2.gz RSZWGXBGTBKWLU-UHFFFAOYSA-N -1 0 341.436 3.544 20 0 EHADRM O=C([O-])[C@@H]1CCCCCN1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000080990590 1033696293 /nfs/dbraw/zinc/69/62/93/1033696293.db2.gz ZPSLRXSMFCIYHE-LBPRGKRZSA-N -1 0 331.199 3.855 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)CC1(c2ccccc2)CC1 ZINC000529250964 1033698303 /nfs/dbraw/zinc/69/83/03/1033698303.db2.gz QECUWSNUKYHFRP-UHFFFAOYSA-N -1 0 348.406 3.546 20 0 EHADRM CCCC[C@@H](CC)COCCCNc1ccccc1-c1nn[nH]n1 ZINC001168114885 1033706938 /nfs/dbraw/zinc/70/69/38/1033706938.db2.gz CWJWJIWUMFWJFU-OAHLLOKOSA-N -1 0 331.464 3.902 20 0 EHADRM C[C@H]1CN(C(=O)c2c([O-])cc(F)cc2F)CC[C@H]1c1ccccc1 ZINC000608467244 1033720973 /nfs/dbraw/zinc/72/09/73/1033720973.db2.gz AAMKGJVXIWUGIO-SWLSCSKDSA-N -1 0 331.362 3.936 20 0 EHADRM COc1cc(Cl)ccc1CNC(=O)c1ccc([O-])c(Cl)c1 ZINC000107778726 1033724472 /nfs/dbraw/zinc/72/44/72/1033724472.db2.gz JRRCXUGJHGQKTJ-UHFFFAOYSA-N -1 0 326.179 3.638 20 0 EHADRM c1ccc(CN=c2[n-]nc(SC3Cc4ccccc4C3)s2)cc1 ZINC000599123687 1033744239 /nfs/dbraw/zinc/74/42/39/1033744239.db2.gz MTLFNIORGIUXCU-UHFFFAOYSA-N -1 0 339.489 3.832 20 0 EHADRM O=C([O-])[C@@]1(CC(=O)Nc2ccc(Cl)cc2Cl)CCSC1 ZINC000146868641 1033859681 /nfs/dbraw/zinc/85/96/81/1033859681.db2.gz KGGVGYVKQJSJFH-CYBMUJFWSA-N -1 0 334.224 3.530 20 0 EHADRM c1ccc(-c2n[n-]c(=N[C@H](c3ccccc3)[C@@H]3CCCO3)s2)cc1 ZINC000603704415 1033870276 /nfs/dbraw/zinc/87/02/76/1033870276.db2.gz BTNPDWMSERFKLN-DLBZAZTESA-N -1 0 337.448 3.959 20 0 EHADRM C[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)[C@H]1CCC[C@H](C)C1 ZINC001212177757 1033877739 /nfs/dbraw/zinc/87/77/39/1033877739.db2.gz XCZWXSUBUGDLAU-DCAQKATOSA-N -1 0 335.391 3.597 20 0 EHADRM COc1ccc(F)c2[nH]c(C(=O)Nc3cccc(Cl)c3[O-])cc21 ZINC000476493458 1033946295 /nfs/dbraw/zinc/94/62/95/1033946295.db2.gz UYOAALXRZNTENX-UHFFFAOYSA-N -1 0 334.734 3.927 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)c2ccc(-c3ccccc3)[nH]2)s[n-]1 ZINC000599557219 1034012547 /nfs/dbraw/zinc/01/25/47/1034012547.db2.gz ZIYYMONRNLXTNW-UHFFFAOYSA-N -1 0 326.425 3.505 20 0 EHADRM Cc1ccc([C@@H](C)NCc2nc3c4ccccc4oc3c(=O)[nH]2)cc1 ZINC000120654947 1034014024 /nfs/dbraw/zinc/01/40/24/1034014024.db2.gz JACDASCBCZAPMH-CYBMUJFWSA-N -1 0 333.391 3.829 20 0 EHADRM C[C@@H](Oc1[n-]ncc(=O)c1Cl)c1c(F)cccc1Br ZINC001228390420 1034091265 /nfs/dbraw/zinc/09/12/65/1034091265.db2.gz MPPSVAQVLXSGHB-ZCFIWIBFSA-N -1 0 347.571 3.877 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)c1 ZINC000460450933 1034135411 /nfs/dbraw/zinc/13/54/11/1034135411.db2.gz OSHSWCKQNJJULV-UHFFFAOYSA-N -1 0 341.436 3.797 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)c(O)c1 ZINC000669774878 1034135721 /nfs/dbraw/zinc/13/57/21/1034135721.db2.gz KJSCOWUWZIKGPA-HNNXBMFYSA-N -1 0 341.407 3.887 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2c[nH]nc2-c2ccccc2)c(Cl)c1 ZINC000534171957 1034223070 /nfs/dbraw/zinc/22/30/70/1034223070.db2.gz SPMIWDCCMKUXTR-UHFFFAOYSA-N -1 0 347.827 3.839 20 0 EHADRM COC[C@H](C)Oc1cccc(-c2ccc3c(c2)CC[C@@H]3C(=O)[O-])c1 ZINC000517176465 1034271346 /nfs/dbraw/zinc/27/13/46/1034271346.db2.gz NIOPMNGTNAVLOB-DJJJIMSYSA-N -1 0 326.392 3.882 20 0 EHADRM O=C(NNc1c(F)cccc1Cl)c1cc(F)c([O-])c(Cl)c1 ZINC000192518564 1034381595 /nfs/dbraw/zinc/38/15/95/1034381595.db2.gz NFAHATZRSQXSQQ-UHFFFAOYSA-N -1 0 333.121 3.734 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000604708681 1034462523 /nfs/dbraw/zinc/46/25/23/1034462523.db2.gz PNBHOTRRUBTJHX-KRWDZBQOSA-N -1 0 339.439 3.695 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)C1(Sc2ccccc2)CCCC1 ZINC000604709157 1034463225 /nfs/dbraw/zinc/46/32/25/1034463225.db2.gz UNMCEWVXPOTUCS-UHFFFAOYSA-N -1 0 339.464 3.820 20 0 EHADRM CC(C)(C)[C@@H]1CCCN(C(=O)N=c2[n-]nc(-c3ccco3)s2)CC1 ZINC000604798193 1034508280 /nfs/dbraw/zinc/50/82/80/1034508280.db2.gz UKCGGHOHCYGYOI-GFCCVEGCSA-N -1 0 348.472 3.900 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)N(Cc2ccco2)C2CCCC2)s[n-]1 ZINC000604801681 1034508780 /nfs/dbraw/zinc/50/87/80/1034508780.db2.gz NHTFETWYKVBQOF-UHFFFAOYSA-N -1 0 348.472 3.827 20 0 EHADRM C[C@@H](N=c1nc(C(F)(F)F)[n-]s1)c1ccc(F)cc1Cl ZINC000450563060 1034526858 /nfs/dbraw/zinc/52/68/58/1034526858.db2.gz RNKAXNVGTFSHCY-RXMQYKEDSA-N -1 0 325.718 3.944 20 0 EHADRM CC(C)NC(=O)Nc1ccccc1C(=O)Nc1cccc(Cl)c1[O-] ZINC000179721788 1034585911 /nfs/dbraw/zinc/58/59/11/1034585911.db2.gz OIUIDUPHNRNAAF-UHFFFAOYSA-N -1 0 347.802 3.828 20 0 EHADRM CC(C)(C[N-]S(=O)(=O)c1c(F)cccc1F)Cc1ccccc1 ZINC000605005963 1034587802 /nfs/dbraw/zinc/58/78/02/1034587802.db2.gz GBWHOBUBCLKKNO-UHFFFAOYSA-N -1 0 339.407 3.512 20 0 EHADRM CCc1noc(CC)c1CC(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000546860894 1034608110 /nfs/dbraw/zinc/60/81/10/1034608110.db2.gz TZZRLTYXZMYXMT-UHFFFAOYSA-N -1 0 343.210 3.993 20 0 EHADRM O=S(=O)([N-][C@@H](c1ccccc1)C(F)F)c1ccc(Cl)s1 ZINC000431640792 1034612826 /nfs/dbraw/zinc/61/28/26/1034612826.db2.gz SFWWXCMFGLYEQV-NSHDSACASA-N -1 0 337.800 3.686 20 0 EHADRM COc1cc(C)nc(CSc2n[n-]c(=Nc3ccccc3)s2)c1 ZINC000534519039 1034624822 /nfs/dbraw/zinc/62/48/22/1034624822.db2.gz URXAUHMTIRNQCK-UHFFFAOYSA-N -1 0 344.465 3.708 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc3ccccc3o2)c(C)c1 ZINC000060498581 1034628270 /nfs/dbraw/zinc/62/82/70/1034628270.db2.gz FRAPMZKRQNWSNJ-UHFFFAOYSA-N -1 0 329.377 3.743 20 0 EHADRM Cc1cc(=NC(=O)N2CCC[C@@H]2c2ccccc2Cl)[n-]nc1C ZINC000605428318 1034721578 /nfs/dbraw/zinc/72/15/78/1034721578.db2.gz AZISHDJPWUCDAI-OAHLLOKOSA-N -1 0 330.819 3.538 20 0 EHADRM CC(C)(C)OC(=O)C1(C(=O)Nc2cccc(Cl)c2[O-])CC=CC1 ZINC000597441947 1034752120 /nfs/dbraw/zinc/75/21/20/1034752120.db2.gz QYPPDHJVGSFQQG-UHFFFAOYSA-N -1 0 337.803 3.662 20 0 EHADRM CC(C)(CNC(=O)CC1CCC(C(=O)[O-])CC1)c1cccc(F)c1 ZINC000584472486 1034781772 /nfs/dbraw/zinc/78/17/72/1034781772.db2.gz RKNWBFVRHKTQJF-UHFFFAOYSA-N -1 0 335.419 3.501 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1csc(Nc2ccccn2)n1 ZINC000605888303 1034838216 /nfs/dbraw/zinc/83/82/16/1034838216.db2.gz XCWMSQHJWYXIMR-UHFFFAOYSA-N -1 0 346.799 3.893 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000601960653 1034840501 /nfs/dbraw/zinc/84/05/01/1034840501.db2.gz VEWSGTOHMDZIBY-OAHLLOKOSA-N -1 0 337.448 3.834 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1ccccc1CCC(F)(F)F ZINC000601985761 1034848356 /nfs/dbraw/zinc/84/83/56/1034848356.db2.gz CJXZBQBYTIMSKJ-ZJUUUORDSA-N -1 0 349.374 3.715 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-] ZINC000601984485 1034848835 /nfs/dbraw/zinc/84/88/35/1034848835.db2.gz ORAXDIBTKDODAT-RKDXNWHRSA-N -1 0 347.889 3.985 20 0 EHADRM COc1cc(C(=O)Nc2cccc(F)c2O)cc(OC)c1C(C)C ZINC000530006693 1034851736 /nfs/dbraw/zinc/85/17/36/1034851736.db2.gz SYUCAVUTYYNNRP-UHFFFAOYSA-N -1 0 333.359 3.924 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)N1Cc2ccccc2-c2ccccc21)C(=O)[O-] ZINC000602010189 1034857945 /nfs/dbraw/zinc/85/79/45/1034857945.db2.gz UEZZJYDISMQPGY-STQMWFEESA-N -1 0 341.432 3.795 20 0 EHADRM CC[C@H](NC(=O)C[C@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000606149639 1034876531 /nfs/dbraw/zinc/87/65/31/1034876531.db2.gz PIDLGBYPBNOFIN-RDJZCZTQSA-N -1 0 347.361 3.791 20 0 EHADRM O=C(N=c1[n-]nc(/C=C\c2ccco2)s1)c1ccc(C(F)F)cc1 ZINC000343822371 1034893364 /nfs/dbraw/zinc/89/33/64/1034893364.db2.gz YXLJBYORUVKXCE-FPLPWBNLSA-N -1 0 347.346 3.913 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)Nc1ccccc1Cl ZINC000390895727 1034895605 /nfs/dbraw/zinc/89/56/05/1034895605.db2.gz CZTUGOBDSAFMRC-OAHLLOKOSA-N -1 0 330.771 3.556 20 0 EHADRM Cc1csc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)c1 ZINC000450988149 1035001260 /nfs/dbraw/zinc/00/12/60/1035001260.db2.gz AIICDECUSRZDTL-UHFFFAOYSA-N -1 0 337.466 3.784 20 0 EHADRM CCc1ccccc1S(=O)(=O)Nc1cccc(C2CCOCC2)c1 ZINC000530144473 1035004474 /nfs/dbraw/zinc/00/44/74/1035004474.db2.gz HYNAVVHONRMEGW-UHFFFAOYSA-N -1 0 345.464 3.944 20 0 EHADRM CC(=O)c1c(C)cc(C)c(CN2CCc3occc3[C@@H]2C(=O)[O-])c1C ZINC000530167760 1035016408 /nfs/dbraw/zinc/01/64/08/1035016408.db2.gz CTJXPKHCBFLTFY-LJQANCHMSA-N -1 0 341.407 3.591 20 0 EHADRM Cc1csc(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)c1 ZINC000451007079 1035024658 /nfs/dbraw/zinc/02/46/58/1035024658.db2.gz CBOSCHLUKLIZFG-UHFFFAOYSA-N -1 0 335.454 3.788 20 0 EHADRM Cc1cc(NC(=O)c2cnn(C(C)C)c2C2CC2)ccc1C(=O)[O-] ZINC000431660307 1035040710 /nfs/dbraw/zinc/04/07/10/1035040710.db2.gz IPGDWACSSWUBIJ-UHFFFAOYSA-N -1 0 327.384 3.600 20 0 EHADRM CC(C)[C@H]1N(C(=O)N=c2nc(-c3ccccc3)[n-]s2)CC1(C)C ZINC000431703721 1035301931 /nfs/dbraw/zinc/30/19/31/1035301931.db2.gz SDGWVROHFRSKSS-CYBMUJFWSA-N -1 0 330.457 3.525 20 0 EHADRM O=C(Nc1nc(C2CCOCC2)cs1)c1ccc([O-])c(Cl)c1 ZINC000376198611 1035404803 /nfs/dbraw/zinc/40/48/03/1035404803.db2.gz QFNPXHUOTVFSQN-UHFFFAOYSA-N -1 0 338.816 3.648 20 0 EHADRM C[C@@H](N=c1nc(C(F)(F)F)[n-]s1)c1ncc(-c2ccccc2)o1 ZINC000376217873 1035447249 /nfs/dbraw/zinc/44/72/49/1035447249.db2.gz GYCABKMCXZKVHQ-MRVPVSSYSA-N -1 0 340.330 3.807 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1cnc2ccccc2c1C ZINC000431771684 1035461457 /nfs/dbraw/zinc/46/14/57/1035461457.db2.gz WTSZRBQZRMCXMI-IBGZPJMESA-N -1 0 348.402 3.797 20 0 EHADRM CC1=C[C@H](C)CN(C(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)C1 ZINC000571477867 1035504454 /nfs/dbraw/zinc/50/44/54/1035504454.db2.gz LPFRVQKZEDQQSX-JTQLQIEISA-N -1 0 348.859 3.710 20 0 EHADRM Cc1cc2occ(CC(=O)N=c3nc4ccccn4[n-]3)c2cc1C(C)C ZINC000540618361 1035507970 /nfs/dbraw/zinc/50/79/70/1035507970.db2.gz MVBWZIRRIQTKHF-UHFFFAOYSA-N -1 0 348.406 3.510 20 0 EHADRM CO[C@H](C)c1nc(=NCc2cccc(OC3CCCC3)c2)s[n-]1 ZINC000509711168 1035519774 /nfs/dbraw/zinc/51/97/74/1035519774.db2.gz HXEBLJILEAAWEZ-GFCCVEGCSA-N -1 0 333.457 3.601 20 0 EHADRM C[C@@H](NC(=O)C[C@](C)(C(=O)[O-])c1ccc(Cl)cc1)c1ccccc1 ZINC000414113270 1035574502 /nfs/dbraw/zinc/57/45/02/1035574502.db2.gz NRJXBLNUEMCIGD-YJYMSZOUSA-N -1 0 345.826 3.950 20 0 EHADRM CCc1nnc(-c2cccc(NC(=O)c3ccc(Cl)cc3[O-])c2)o1 ZINC000173314629 1035590634 /nfs/dbraw/zinc/59/06/34/1035590634.db2.gz JHFSFFUJDKAYGM-UHFFFAOYSA-N -1 0 343.770 3.910 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)/C=C/SCc2ccco2)cc1 ZINC000492326244 1035648063 /nfs/dbraw/zinc/64/80/63/1035648063.db2.gz CPOHWBLGTOMPOQ-TWGJSUAUSA-N -1 0 329.377 3.763 20 0 EHADRM CCC[C@H](CNC(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000263092640 1035654386 /nfs/dbraw/zinc/65/43/86/1035654386.db2.gz DUEYTJCUPGQSTJ-WCQYABFASA-N -1 0 345.361 3.501 20 0 EHADRM CCC(CC)(C(=O)NCCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000540775569 1035672742 /nfs/dbraw/zinc/67/27/42/1035672742.db2.gz OGCXYOLXXRXVPK-UHFFFAOYSA-N -1 0 339.435 3.802 20 0 EHADRM C[C@H](Oc1n[n-]c(=O)cc1Cl)c1cccc(Br)c1 ZINC001233591898 1035677164 /nfs/dbraw/zinc/67/71/64/1035677164.db2.gz ZYXSFAYHXLDYJV-ZETCQYMHSA-N -1 0 329.581 3.738 20 0 EHADRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1cccc2ccccc21 ZINC000588010693 1035680491 /nfs/dbraw/zinc/68/04/91/1035680491.db2.gz UXLDFRJLLOFFCD-IBGZPJMESA-N -1 0 343.386 3.817 20 0 EHADRM c1ccc(CCOCCCCN=c2[n-]c(-c3ccccc3)no2)cc1 ZINC000588161215 1035731324 /nfs/dbraw/zinc/73/13/24/1035731324.db2.gz MXKPXSPWULNMIQ-UHFFFAOYSA-N -1 0 337.423 3.610 20 0 EHADRM COc1cc(C)c([C@H](C)N=c2[n-]c(-c3ccccc3)no2)cc1OC ZINC000588160845 1035732690 /nfs/dbraw/zinc/73/26/90/1035732690.db2.gz LEMGFXHJFANSEU-ZDUSSCGKSA-N -1 0 339.395 3.657 20 0 EHADRM O=C([O-])c1ccc(-c2cc(F)ccc2OC[C@@H]2CCCCO2)c(O)c1 ZINC000521069154 1035743405 /nfs/dbraw/zinc/74/34/05/1035743405.db2.gz AWHGZKHIJLSRDB-AWEZNQCLSA-N -1 0 346.354 3.844 20 0 EHADRM CC1(CC(F)(F)F)CN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000457112933 1035753463 /nfs/dbraw/zinc/75/34/63/1035753463.db2.gz HLUMARODAWUJQU-UHFFFAOYSA-N -1 0 325.689 3.599 20 0 EHADRM COc1c(C(=O)[O-])sc(C)c1-c1ccc(O[C@@H]2CCOC2)c(C)c1 ZINC000571894039 1035775085 /nfs/dbraw/zinc/77/50/85/1035775085.db2.gz DUJHDSNPEULQMO-CYBMUJFWSA-N -1 0 348.420 3.906 20 0 EHADRM CC(C)[C@H]1N(C(=O)c2cc(F)c(F)c([O-])c2F)CC12CCCC2 ZINC000457142380 1035776269 /nfs/dbraw/zinc/77/62/69/1035776269.db2.gz KTVMGJNJRQOZEC-OAHLLOKOSA-N -1 0 327.346 3.850 20 0 EHADRM CN(C(=O)c1ccc2oc(=O)nc-2[n-]1)C1CCC(C(C)(C)C)CC1 ZINC000666169142 1035780958 /nfs/dbraw/zinc/78/09/58/1035780958.db2.gz SBZZDMKKCUAQET-UHFFFAOYSA-N -1 0 331.416 3.605 20 0 EHADRM CC(C)CCOc1ccc(S(=O)(=O)Nc2cccc(O)c2)cc1 ZINC000534973424 1035847671 /nfs/dbraw/zinc/84/76/71/1035847671.db2.gz ILOHFBAAOFNNPZ-UHFFFAOYSA-N -1 0 335.425 3.618 20 0 EHADRM O=S(=O)(Cc1ccccc1)[N-]c1nc2cc(F)c(F)cc2s1 ZINC000534979372 1035857912 /nfs/dbraw/zinc/85/79/12/1035857912.db2.gz RSVXMRJIXVFEHE-UHFFFAOYSA-N -1 0 340.376 3.516 20 0 EHADRM CCCN(C(=O)Nc1cccc(OC(F)(F)F)c1)[C@H](CC)C(=O)[O-] ZINC000571980038 1035859749 /nfs/dbraw/zinc/85/97/49/1035859749.db2.gz HSVIZRHYQRMENR-GFCCVEGCSA-N -1 0 348.321 3.692 20 0 EHADRM CCc1ccccc1[N-]S(=O)(=O)c1cccc2cc(C)cnc21 ZINC000024357852 1035884653 /nfs/dbraw/zinc/88/46/53/1035884653.db2.gz XVCPZHHHXNMWIC-UHFFFAOYSA-N -1 0 326.421 3.906 20 0 EHADRM Cc1noc(C)c1[C@H](C)C(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000152135759 1035903526 /nfs/dbraw/zinc/90/35/26/1035903526.db2.gz WGPKYTZRCXYACN-VIFPVBQESA-N -1 0 342.317 3.662 20 0 EHADRM C[C@H]1[C@@H](C(=O)Nc2ccc(F)c(F)c2[O-])CCN1c1ccccc1 ZINC000457284269 1035940652 /nfs/dbraw/zinc/94/06/52/1035940652.db2.gz BLQJBICBFLXAGG-AAEUAGOBSA-N -1 0 332.350 3.524 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(F)c(F)c2[O-])nn1C1CCCCC1 ZINC000457296679 1035954011 /nfs/dbraw/zinc/95/40/11/1035954011.db2.gz QGAHWKMZROEZRF-UHFFFAOYSA-N -1 0 335.354 3.933 20 0 EHADRM CC(C)(C)c1nc(CC(=O)Nc2ccc(F)c(F)c2[O-])cs1 ZINC000457297491 1035954477 /nfs/dbraw/zinc/95/44/77/1035954477.db2.gz RCQYSBTWEOMBMA-UHFFFAOYSA-N -1 0 326.368 3.606 20 0 EHADRM CCc1ccc2nc([N-]S(=O)(=O)c3ccc(F)cc3)sc2c1 ZINC000170552315 1035958635 /nfs/dbraw/zinc/95/86/35/1035958635.db2.gz GVWKIXZLNYKMRC-UHFFFAOYSA-N -1 0 336.413 3.799 20 0 EHADRM CCN(C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F)C(C)C ZINC000547595359 1036035918 /nfs/dbraw/zinc/03/59/18/1036035918.db2.gz JECXYNCFJJELQX-CYBMUJFWSA-N -1 0 346.349 3.613 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(-c2cccc(CO[C@@H]3CCOC3)c2)cc1 ZINC000521645761 1036053185 /nfs/dbraw/zinc/05/31/85/1036053185.db2.gz LODOGIZGJYMBDS-IFXJQAMLSA-N -1 0 326.392 3.847 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2CCC(c3ccccc3)CC2)C1 ZINC000263110665 1036073554 /nfs/dbraw/zinc/07/35/54/1036073554.db2.gz BSFGEOHQMURSNG-LTDKPHRXSA-N -1 0 329.440 3.530 20 0 EHADRM Cc1n[n-]c(=NC(=O)N2CCCCC[C@@H]2/C=C\c2cccs2)s1 ZINC000541202959 1036077287 /nfs/dbraw/zinc/07/72/87/1036077287.db2.gz SZFWLJFZQJEEOS-LJTDUEICSA-N -1 0 348.497 3.820 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)c2ccc(-c3ccccc3)o2)s1 ZINC000541269277 1036145613 /nfs/dbraw/zinc/14/56/13/1036145613.db2.gz QPGJQWGYUSUARB-UHFFFAOYSA-N -1 0 327.409 3.671 20 0 EHADRM CCc1nc([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)sc1C ZINC000255891548 1036173236 /nfs/dbraw/zinc/17/32/36/1036173236.db2.gz JNDUZQYSBJIOBS-HJWRWDBZSA-N -1 0 326.418 3.566 20 0 EHADRM O=C([O-])CCc1ccccc1-c1cccc(CO[C@@H]2CCOC2)c1 ZINC000522013656 1036229384 /nfs/dbraw/zinc/22/93/84/1036229384.db2.gz LMVGHIVQAWBTAR-GOSISDBHSA-N -1 0 326.392 3.676 20 0 EHADRM COc1c(C)cc(S(=O)(=O)[N-]c2nc3ccccc3s2)cc1C ZINC000589264039 1036326074 /nfs/dbraw/zinc/32/60/74/1036326074.db2.gz YHYJXOVMWCVGQU-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccnn2[C@@H](C)CC(C)C)cc1 ZINC000589270635 1036335405 /nfs/dbraw/zinc/33/54/05/1036335405.db2.gz GPKHNZPZMCBJJJ-AWEZNQCLSA-N -1 0 335.473 3.853 20 0 EHADRM CCCCOc1ccc(C(=O)N=c2ncn(C3CCCCC3)[n-]2)cc1 ZINC000541510471 1036391818 /nfs/dbraw/zinc/39/18/18/1036391818.db2.gz NPMQHOHVVUFTNA-UHFFFAOYSA-N -1 0 342.443 3.636 20 0 EHADRM CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)c1ccccc1F ZINC000589437379 1036413825 /nfs/dbraw/zinc/41/38/25/1036413825.db2.gz JNVIBCNLMFSNJP-UHFFFAOYSA-N -1 0 327.352 3.553 20 0 EHADRM CS(=O)(=O)Nc1ccccc1NC(=O)c1ccc(C2CCC2)cc1 ZINC000191718262 1036421883 /nfs/dbraw/zinc/42/18/83/1036421883.db2.gz IZKKIGSDESRTSS-UHFFFAOYSA-N -1 0 344.436 3.578 20 0 EHADRM O=C(N[C@@H]1CCOc2ccc(F)cc21)c1ccc2[n-]c(=S)oc2c1 ZINC000174739452 1036424197 /nfs/dbraw/zinc/42/41/97/1036424197.db2.gz ALOKJUQSGBNLNU-GFCCVEGCSA-N -1 0 344.367 3.509 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)c1O ZINC000685901469 1036451490 /nfs/dbraw/zinc/45/14/90/1036451490.db2.gz XSXKUAJCUWQBBO-UHFFFAOYSA-N -1 0 345.342 3.829 20 0 EHADRM Cc1[nH]nc([N-]S(=O)(=O)c2cccc(Cl)c2)c1-c1ccccc1 ZINC000535394041 1036453387 /nfs/dbraw/zinc/45/33/87/1036453387.db2.gz HVHHWCNQTLGQCU-UHFFFAOYSA-N -1 0 347.827 3.839 20 0 EHADRM CC(C)Oc1ccc(=NC(=O)c2cscc2-c2ccccc2)[n-]n1 ZINC000464437899 1036459174 /nfs/dbraw/zinc/45/91/74/1036459174.db2.gz RUPPGWDXVLWUPO-UHFFFAOYSA-N -1 0 339.420 3.667 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1cc(-c2ccco2)on1 ZINC000572781905 1036495238 /nfs/dbraw/zinc/49/52/38/1036495238.db2.gz BPJLFSZBDNPIDU-MRXNPFEDSA-N -1 0 340.379 3.973 20 0 EHADRM Cc1oc2ccccc2c1C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000464560305 1036551695 /nfs/dbraw/zinc/55/16/95/1036551695.db2.gz XUYHMRBODRMNRY-UHFFFAOYSA-N -1 0 335.388 3.934 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000263163434 1036559663 /nfs/dbraw/zinc/55/96/63/1036559663.db2.gz ZXPAGMLTWSVHQT-UEXGIBASSA-N -1 0 339.435 3.949 20 0 EHADRM O=C(NCCCCOc1ccc(F)cc1)c1ccc([O-])c(Cl)c1 ZINC000025340233 1036562420 /nfs/dbraw/zinc/56/24/20/1036562420.db2.gz DECUMRMWBCPFLH-UHFFFAOYSA-N -1 0 337.778 3.774 20 0 EHADRM O=C([O-])CCCCCCNC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 ZINC000263181350 1036608982 /nfs/dbraw/zinc/60/89/82/1036608982.db2.gz RMBRFVLIASNTIH-AWEZNQCLSA-N -1 0 349.324 3.867 20 0 EHADRM CC(C)C[C@H](NC(=O)NCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000263187743 1036612248 /nfs/dbraw/zinc/61/22/48/1036612248.db2.gz FWZWCZDKASYHOR-ZDUSSCGKSA-N -1 0 346.349 3.567 20 0 EHADRM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000176524952 1036637040 /nfs/dbraw/zinc/63/70/40/1036637040.db2.gz GAARPVDHGHPOKJ-CRAIPNDOSA-N -1 0 347.418 3.596 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(c2nccc3cc(C(F)(F)F)ccc32)C1 ZINC000263218996 1036643078 /nfs/dbraw/zinc/64/30/78/1036643078.db2.gz ORFXYAXMXWBLIC-CMPLNLGQSA-N -1 0 338.329 3.801 20 0 EHADRM CCC[C@@H](C)N(C)C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000541798112 1036657485 /nfs/dbraw/zinc/65/74/85/1036657485.db2.gz AQDZEQLHTGNBPE-SNVBAGLBSA-N -1 0 338.864 3.933 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CCC1 ZINC000319877138 1036675555 /nfs/dbraw/zinc/67/55/55/1036675555.db2.gz IQHOZKMVHCZXRW-UHFFFAOYSA-N -1 0 335.709 3.942 20 0 EHADRM c1ccc2c(c1)cccc2CN=c1[n-]nc(-c2ccc3c(c2)OCO3)o1 ZINC000541824183 1036679901 /nfs/dbraw/zinc/67/99/01/1036679901.db2.gz MEALUHZUXOMTMU-UHFFFAOYSA-N -1 0 345.358 3.653 20 0 EHADRM O=S(=O)([N-][C@H](C1CCCC1)C(F)(F)F)c1cc2ccccc2o1 ZINC000541827401 1036681528 /nfs/dbraw/zinc/68/15/28/1036681528.db2.gz GBHMIZQIEXOFJU-CQSZACIVSA-N -1 0 347.358 3.832 20 0 EHADRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc(C2CC2)cc1 ZINC000669821433 1036696478 /nfs/dbraw/zinc/69/64/78/1036696478.db2.gz INXPUDYXEJXYTD-UHFFFAOYSA-N -1 0 331.437 3.990 20 0 EHADRM O=C([O-])c1cc(/C=C\c2cc(Cl)ccc2Br)ncn1 ZINC000535593939 1036698219 /nfs/dbraw/zinc/69/82/19/1036698219.db2.gz OXWYUCUBNBQSBD-IWQZZHSRSA-N -1 0 339.576 3.761 20 0 EHADRM CC[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000263244956 1036734465 /nfs/dbraw/zinc/73/44/65/1036734465.db2.gz UNELRXLYZQWCJU-SWHYSGLUSA-N -1 0 343.345 3.521 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)c2cc(Cl)ccc2C)sc1C(=O)[O-] ZINC000263248780 1036734952 /nfs/dbraw/zinc/73/49/52/1036734952.db2.gz GUDDKZMFQPFJON-SECBINFHSA-N -1 0 338.816 3.603 20 0 EHADRM CC(C)[C@@H](C(=O)Nc1ccc(CC(=O)[O-])c(F)c1)c1ccccc1 ZINC000263296441 1036759815 /nfs/dbraw/zinc/75/98/15/1036759815.db2.gz ZPAVQLOJXKFDHZ-GOSISDBHSA-N -1 0 329.371 3.831 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)c2ccccc2Nc2ccccc2)C1 ZINC000263319239 1036783724 /nfs/dbraw/zinc/78/37/24/1036783724.db2.gz NDAWBQGMFFRZKO-FQEVSTJZSA-N -1 0 338.407 3.757 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1cc(Cl)ccc1Cl ZINC000263357496 1036806016 /nfs/dbraw/zinc/80/60/16/1036806016.db2.gz XLJCJFDWMVATQG-AEJSXWLSSA-N -1 0 330.211 3.672 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC=CCC1 ZINC000653280610 1036806003 /nfs/dbraw/zinc/80/60/03/1036806003.db2.gz BHUVKQOOPHFGHA-HNNXBMFYSA-N -1 0 345.729 3.691 20 0 EHADRM COc1cc(/C=C\C(=O)Nc2ccc(CCC(=O)[O-])cc2)ccc1F ZINC000493166528 1036822036 /nfs/dbraw/zinc/82/20/36/1036822036.db2.gz YSLDTGUBTPYSDC-YHYXMXQVSA-N -1 0 343.354 3.503 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(C)(C)CCCc2ccccc2)C1 ZINC000263374210 1036835889 /nfs/dbraw/zinc/83/58/89/1036835889.db2.gz WHMZHOUCMKFWPZ-NVXWUHKLSA-N -1 0 331.456 3.605 20 0 EHADRM COc1cc([C@H](C)N=c2nc(C)[n-]s2)ccc1OCCC(C)C ZINC000462369018 1036876675 /nfs/dbraw/zinc/87/66/75/1036876675.db2.gz KOBUTECVHXAUGJ-LBPRGKRZSA-N -1 0 335.473 3.875 20 0 EHADRM Cc1ccc(Nc2ccccc2C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000572941323 1036921151 /nfs/dbraw/zinc/92/11/51/1036921151.db2.gz QIAWOVNQLQCVTD-GOEBONIOSA-N -1 0 338.407 3.722 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)N[C@H](CC(=O)[O-])C1CCCCC1 ZINC000539603536 1036967405 /nfs/dbraw/zinc/96/74/05/1036967405.db2.gz FIKYPIPPHHBWCU-RHSMWYFYSA-N -1 0 349.496 3.848 20 0 EHADRM Cc1ccc(CCCC(=O)N[C@H](CC(=O)[O-])C2CCCCC2)s1 ZINC000539614896 1036979373 /nfs/dbraw/zinc/97/93/73/1036979373.db2.gz BIMIGXJSGMXYOX-MRXNPFEDSA-N -1 0 337.485 3.919 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)[C@@H]1CCCc2sccc21)c1ccc(F)cc1 ZINC000376463610 1037015310 /nfs/dbraw/zinc/01/53/10/1037015310.db2.gz MXVNJNQIUCQTKM-HUUCEWRRSA-N -1 0 347.411 3.639 20 0 EHADRM C[C@H](Oc1cccc2ccccc21)C(=O)NC1(CC(=O)[O-])CCCC1 ZINC000263528384 1037047706 /nfs/dbraw/zinc/04/77/06/1037047706.db2.gz LFQJSZQMVHPLAE-AWEZNQCLSA-N -1 0 341.407 3.511 20 0 EHADRM COc1cc(-c2ccc(F)c(C(=O)[O-])c2F)ccc1OC(F)F ZINC001205095547 1037071241 /nfs/dbraw/zinc/07/12/41/1037071241.db2.gz KKADZIQVLPNPIS-UHFFFAOYSA-N -1 0 330.233 3.940 20 0 EHADRM CC(C)(C)Cc1n[n-]c(=NCc2cc(F)ccc2Br)o1 ZINC000539693589 1037081672 /nfs/dbraw/zinc/08/16/72/1037081672.db2.gz RJAZCLYYMHHPOV-UHFFFAOYSA-N -1 0 342.212 3.594 20 0 EHADRM Fc1cc(F)c(CN=c2[n-]nc(CC3CCCCC3)o2)cc1F ZINC000539694497 1037084785 /nfs/dbraw/zinc/08/47/85/1037084785.db2.gz LJJTYWPYGPXAKN-UHFFFAOYSA-N -1 0 325.334 3.644 20 0 EHADRM O=C(CCCc1ccccc1)N[N-]C(=O)c1occc1-c1ccccc1 ZINC000057691729 1037085744 /nfs/dbraw/zinc/08/57/44/1037085744.db2.gz VRAZNDRAMQQSAQ-UHFFFAOYSA-N -1 0 348.402 3.731 20 0 EHADRM CC(C)Cc1n[n-]c(=NCc2c[nH]nc2-c2ccc(Cl)cc2)s1 ZINC000539709007 1037097982 /nfs/dbraw/zinc/09/79/82/1037097982.db2.gz MUXYYTQECGWUND-UHFFFAOYSA-N -1 0 347.875 3.814 20 0 EHADRM CC(C)c1ccc(-c2ncc(C[S@@](=O)[C@H](C)C(=O)[O-])s2)cc1 ZINC000590900263 1037130625 /nfs/dbraw/zinc/13/06/25/1037130625.db2.gz GRVNMMWFJYUVPL-RKFFSXRUSA-N -1 0 337.466 3.655 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])NC(=O)C=C2CCC(C)(C)CC2)c1 ZINC000761556897 1037135948 /nfs/dbraw/zinc/13/59/48/1037135948.db2.gz RKPNBDJRLZWCOR-QGZVFWFLSA-N -1 0 345.439 3.854 20 0 EHADRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2c(C)cccc2Cl)c1C ZINC000414379436 1037148034 /nfs/dbraw/zinc/14/80/34/1037148034.db2.gz GCJXWRHKNUQKSK-NSHDSACASA-N -1 0 341.864 3.925 20 0 EHADRM O=C([O-])c1coc(C(=O)N2CCC[C@H](CCCc3ccccc3)C2)c1 ZINC000263578457 1037157731 /nfs/dbraw/zinc/15/77/31/1037157731.db2.gz SSAHWZWXJLTFMY-INIZCTEOSA-N -1 0 341.407 3.853 20 0 EHADRM C[C@H]1CCCC[C@@H]1NC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666510085 1037161319 /nfs/dbraw/zinc/16/13/19/1037161319.db2.gz LTPRPHGFYKNYMJ-KSSFIOAISA-N -1 0 344.455 3.853 20 0 EHADRM C[C@@H](NC(=O)CC1(C(=O)[O-])CCC1)C1(c2ccccc2)CCCC1 ZINC000263583380 1037174492 /nfs/dbraw/zinc/17/44/92/1037174492.db2.gz ZVFBPSAPMUBALQ-OAHLLOKOSA-N -1 0 329.440 3.648 20 0 EHADRM CC(=O)Nc1cccc(N=c2[n-]nc(S[C@H](C)C(C)C)s2)c1 ZINC000591039185 1037196600 /nfs/dbraw/zinc/19/66/00/1037196600.db2.gz GONFOSMHEYJPAZ-SNVBAGLBSA-N -1 0 336.486 3.799 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC000666543449 1037200345 /nfs/dbraw/zinc/20/03/45/1037200345.db2.gz HJLFLNDWGPTMRW-RYQLBKOJSA-N -1 0 344.455 3.609 20 0 EHADRM CCCCN(Cc1ccccc1Cl)C(=O)NCCCCC(=O)[O-] ZINC000666558517 1037209738 /nfs/dbraw/zinc/20/97/38/1037209738.db2.gz PVZGFUVZLBQUJC-UHFFFAOYSA-N -1 0 340.851 3.907 20 0 EHADRM Cc1ccnc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)c1 ZINC000105564619 1037213976 /nfs/dbraw/zinc/21/39/76/1037213976.db2.gz ZJODELPGJCFUEX-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)c1ccc(CSc2ccccc2)cc1 ZINC000089288665 1037238602 /nfs/dbraw/zinc/23/86/02/1037238602.db2.gz YTRAZTMRXCWWEV-UHFFFAOYSA-N -1 0 347.461 3.799 20 0 EHADRM COc1ccc([C@@H](C)N=c2[n-]nc(Cc3ccccc3)s2)cc1 ZINC000542281856 1037242287 /nfs/dbraw/zinc/24/22/87/1037242287.db2.gz KAPRSDGLNQPKFE-CYBMUJFWSA-N -1 0 325.437 3.733 20 0 EHADRM CCC[C@H](C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1)c1ccccc1 ZINC000591188995 1037269735 /nfs/dbraw/zinc/26/97/35/1037269735.db2.gz ZEENTGATNNQVNE-INIZCTEOSA-N -1 0 337.379 3.552 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C1CCC(C2CC2)CC1)c1ccc(F)cc1 ZINC000659118064 1037290974 /nfs/dbraw/zinc/29/09/74/1037290974.db2.gz SSPGFPRQVMYKFU-PGEKIEPBSA-N -1 0 333.403 3.674 20 0 EHADRM O=C([O-])C1(C(=O)NCc2csc3ccccc23)CC2(CCC2)C1 ZINC000659120288 1037312034 /nfs/dbraw/zinc/31/20/34/1037312034.db2.gz PECVFCZGLQLSNI-UHFFFAOYSA-N -1 0 329.421 3.553 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCCC[C@@H]1Cc1ccccc1 ZINC000659121899 1037314779 /nfs/dbraw/zinc/31/47/79/1037314779.db2.gz MUVSMRNBJCJQLJ-OAHLLOKOSA-N -1 0 327.380 3.524 20 0 EHADRM CC(C)(CNC(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)[O-] ZINC000659135317 1037343223 /nfs/dbraw/zinc/34/32/23/1037343223.db2.gz BLLJCAHGXRQWFM-INIZCTEOSA-N -1 0 345.826 3.699 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C=Cc2cnc3ccccc3n2)c1 ZINC000493432287 1037362177 /nfs/dbraw/zinc/36/21/77/1037362177.db2.gz LZTRYJOSNVWYKB-CSKARUKUSA-N -1 0 347.374 3.580 20 0 EHADRM O=C(Cc1cn2ccccc2n1)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000539931482 1037365860 /nfs/dbraw/zinc/36/58/60/1037365860.db2.gz LALMFMZJBQIMFE-UHFFFAOYSA-N -1 0 336.178 3.528 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000007052803 1037386543 /nfs/dbraw/zinc/38/65/43/1037386543.db2.gz XPTTXXIMMAQOHJ-UHFFFAOYSA-N -1 0 327.352 3.554 20 0 EHADRM c1nc(CN=c2nc(C3CCCC3)[n-]s2)c(-c2ccccc2)o1 ZINC000573233449 1037424044 /nfs/dbraw/zinc/42/40/44/1037424044.db2.gz GRXRHNFNBOAKFD-UHFFFAOYSA-N -1 0 326.425 3.885 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2cc(C)ccc2C2CC2)n1 ZINC000659182477 1037432680 /nfs/dbraw/zinc/43/26/80/1037432680.db2.gz JVBVDRHHJCBWOG-MRXNPFEDSA-N -1 0 341.411 3.747 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)cc1 ZINC000659189140 1037443579 /nfs/dbraw/zinc/44/35/79/1037443579.db2.gz FPHSDGPJMWWLPF-NQYYFHDYSA-N -1 0 343.467 3.666 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cccc3ccccc32)[C@H]2CCCC[C@@H]12 ZINC000659192016 1037446938 /nfs/dbraw/zinc/44/69/38/1037446938.db2.gz FHHDLAJXSUXJTN-UHOSZYNNSA-N -1 0 337.419 3.945 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2ccccc2C(C)(C)C)n1 ZINC000659187536 1037452205 /nfs/dbraw/zinc/45/22/05/1037452205.db2.gz QTWVAHQWMQROGC-OAHLLOKOSA-N -1 0 343.427 3.859 20 0 EHADRM CC1(C)C[C@@H](c2ccccc2)N(C(=O)N=c2[n-]nc(C3CC3)s2)C1 ZINC000573316282 1037460469 /nfs/dbraw/zinc/46/04/69/1037460469.db2.gz NPEPOXLLOFKFBO-AWEZNQCLSA-N -1 0 342.468 3.843 20 0 EHADRM CC(C)Oc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)cc1 ZINC000659195218 1037464761 /nfs/dbraw/zinc/46/47/61/1037464761.db2.gz OJEXGOZQKYXFTE-OKZBNKHCSA-N -1 0 345.439 3.579 20 0 EHADRM C[C@](CCF)(NC(=O)CCCc1csc2ccccc12)C(=O)[O-] ZINC000659215901 1037491783 /nfs/dbraw/zinc/49/17/83/1037491783.db2.gz LIOJKKMVJIURIJ-QGZVFWFLSA-N -1 0 337.416 3.543 20 0 EHADRM C[C@@H](C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000659224272 1037518643 /nfs/dbraw/zinc/51/86/43/1037518643.db2.gz IVNWGDVXEWJPFA-FOGDFJRCSA-N -1 0 344.238 3.666 20 0 EHADRM C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)CC[C@@H]1C(=O)[O-] ZINC000659224669 1037520420 /nfs/dbraw/zinc/52/04/20/1037520420.db2.gz YGSDLFKZHYHRAI-MWLKLMTCSA-N -1 0 337.419 3.513 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000659234563 1037548787 /nfs/dbraw/zinc/54/87/87/1037548787.db2.gz AKMHXWFBRKVQHN-NTLWEQJWSA-N -1 0 337.419 3.703 20 0 EHADRM O=C([O-])[C@H](CC(=O)N[C@@H](c1ccccc1)C1CCC1)c1ccccc1 ZINC000591689738 1037558164 /nfs/dbraw/zinc/55/81/64/1037558164.db2.gz BGMRLOXNKQNOHT-QUCCMNQESA-N -1 0 337.419 3.903 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000659240388 1037563069 /nfs/dbraw/zinc/56/30/69/1037563069.db2.gz RPMXZNSSWYNMMR-WKQXJPDBSA-N -1 0 335.366 3.505 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1ccccc1CCC(F)(F)F ZINC000659241680 1037566364 /nfs/dbraw/zinc/56/63/64/1037566364.db2.gz JUXGYISLFRNSCK-BBRMVZONSA-N -1 0 343.345 3.555 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2N(C)C)c(F)c1 ZINC000303412840 1037567947 /nfs/dbraw/zinc/56/79/47/1037567947.db2.gz VKAHOBGGBPZBOH-UHFFFAOYSA-N -1 0 342.823 3.654 20 0 EHADRM COc1ccc(-c2nc(SCC3CCCC3)[n-]c(=O)c2C#N)cc1 ZINC000151704584 1037570234 /nfs/dbraw/zinc/57/02/34/1037570234.db2.gz LWEHQLOEUCHMLB-UHFFFAOYSA-N -1 0 341.436 3.599 20 0 EHADRM CC(C)Oc1ccccc1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000591797068 1037606762 /nfs/dbraw/zinc/60/67/62/1037606762.db2.gz OODDIDVZJOKYGJ-UHFFFAOYSA-N -1 0 345.342 3.692 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3nccn3C)c2)c(C)s1 ZINC000108638949 1037649422 /nfs/dbraw/zinc/64/94/22/1037649422.db2.gz ZCPZFFGCUZRHGE-UHFFFAOYSA-N -1 0 347.465 3.566 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2C)cc1C ZINC000303685331 1037661560 /nfs/dbraw/zinc/66/15/60/1037661560.db2.gz ZSOFAGHVGUFPLG-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)/C=C\c1ccc(C(=O)[O-])cc1 ZINC000493847567 1037665147 /nfs/dbraw/zinc/66/51/47/1037665147.db2.gz CPNUKAQAZHVLIN-UJZCVKTISA-N -1 0 341.329 3.587 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC000653304242 1037667850 /nfs/dbraw/zinc/66/78/50/1037667850.db2.gz HKCOTWBPDBXVAO-OAHLLOKOSA-N -1 0 327.833 3.561 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)sc1C ZINC000540212042 1037694689 /nfs/dbraw/zinc/69/46/89/1037694689.db2.gz LFKZZIDXJVSLGC-UHFFFAOYSA-N -1 0 347.408 3.810 20 0 EHADRM CC(C)Oc1ccc(S(=O)(=O)[N-]c2scnc2C2CC2)cc1 ZINC000540216499 1037700484 /nfs/dbraw/zinc/70/04/84/1037700484.db2.gz AZXJHGAULISSRM-UHFFFAOYSA-N -1 0 338.454 3.609 20 0 EHADRM CC(C)Oc1ccccc1[C@@H](C)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000328342329 1037700651 /nfs/dbraw/zinc/70/06/51/1037700651.db2.gz BLKSKSJHCAOIJY-BMFZPTHFSA-N -1 0 333.428 3.542 20 0 EHADRM Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)cc(C)c1F ZINC000669434162 1037808052 /nfs/dbraw/zinc/80/80/52/1037808052.db2.gz LPUAATNAPFSXHK-HNNXBMFYSA-N -1 0 327.355 3.661 20 0 EHADRM Cc1cc(=NC(=O)N2CCC[C@H]2CCCc2ccccc2)[n-]nc1C ZINC000494079680 1037829660 /nfs/dbraw/zinc/82/96/60/1037829660.db2.gz OOLRNRWXEPRDOW-GOSISDBHSA-N -1 0 338.455 3.535 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)N(C)[C@@H]2CCCC[C@H]2C)cc1 ZINC000475883874 1037851376 /nfs/dbraw/zinc/85/13/76/1037851376.db2.gz OZHLPZCVWPWGSA-OMXJDXKCSA-N -1 0 335.513 3.955 20 0 EHADRM C/C(=C/c1ccccc1)CN(C)C(=O)N=c1[n-]nc(CC(C)C)s1 ZINC000494184088 1037885959 /nfs/dbraw/zinc/88/59/59/1037885959.db2.gz YDPGQLCCWWUMHD-KAMYIIQDSA-N -1 0 344.484 3.726 20 0 EHADRM C/C(=C\c1ccccc1)CN(C)C(=O)N=c1[n-]nc(CC(C)C)s1 ZINC000494184089 1037887222 /nfs/dbraw/zinc/88/72/22/1037887222.db2.gz YDPGQLCCWWUMHD-SDNWHVSQSA-N -1 0 344.484 3.726 20 0 EHADRM O=S(=O)([N-]c1nc2ccccc2s1)c1cccc2cnccc21 ZINC000036662302 1037909896 /nfs/dbraw/zinc/90/98/96/1037909896.db2.gz HAJNRCIRXVKILI-UHFFFAOYSA-N -1 0 341.417 3.645 20 0 EHADRM Cc1c(NC(=O)c2ccc([O-])c(Cl)c2)cnn1-c1ccccc1F ZINC000120072721 1037923342 /nfs/dbraw/zinc/92/33/42/1037923342.db2.gz JHDFGWNYLRUKDN-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM CCC[C@H](C)NC(=O)N=c1[n-]nc(C(C)(C)c2ccccc2)s1 ZINC000592472062 1037999727 /nfs/dbraw/zinc/99/97/27/1037999727.db2.gz CYTUUCHOYCOBRE-LBPRGKRZSA-N -1 0 332.473 3.596 20 0 EHADRM C[C@H]1CCC[C@H]1NC(=O)N=c1[n-]nc(C(C)(C)c2ccccc2)s1 ZINC000592529969 1038029059 /nfs/dbraw/zinc/02/90/59/1038029059.db2.gz MWNOKGCVDHCZQN-GXTWGEPZSA-N -1 0 344.484 3.596 20 0 EHADRM C[C@H]1CCC[C@H](C)N1C(=O)c1cc(F)cc(Br)c1[O-] ZINC000416150151 1038230189 /nfs/dbraw/zinc/23/01/89/1038230189.db2.gz JBHWVOBFTYZMDZ-IUCAKERBSA-N -1 0 330.197 3.697 20 0 EHADRM Cc1coc(-c2cc(NC(=O)[C@]3(C(=O)[O-])CC=CCC3)ccc2C)n1 ZINC000653310154 1038268586 /nfs/dbraw/zinc/26/85/86/1038268586.db2.gz VWNOXWMEBIGDSJ-IBGZPJMESA-N -1 0 340.379 3.708 20 0 EHADRM Cc1cccc([C@H]2CCCN2Cc2c([O-])nnn2-c2ccccc2)c1C ZINC000461347149 1038343867 /nfs/dbraw/zinc/34/38/67/1038343867.db2.gz PGKOOIQNICCIPQ-LJQANCHMSA-N -1 0 348.450 3.927 20 0 EHADRM FC(F)(F)c1cccc(CN=c2[n-]nc(CCc3ccccc3)o2)c1 ZINC000538507353 1038346583 /nfs/dbraw/zinc/34/65/83/1038346583.db2.gz YRZUYEHTAMDEIZ-UHFFFAOYSA-N -1 0 347.340 3.908 20 0 EHADRM O=S(=O)([N-]c1cccc(F)c1)c1ccc(C(F)(F)F)s1 ZINC000461333342 1038347753 /nfs/dbraw/zinc/34/77/53/1038347753.db2.gz QCSJCFCAWKVNJC-UHFFFAOYSA-N -1 0 325.308 3.707 20 0 EHADRM O=C(COc1cccc(F)c1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000463114455 1038348108 /nfs/dbraw/zinc/34/81/08/1038348108.db2.gz HJALRPPITRNUTR-UHFFFAOYSA-N -1 0 330.142 3.856 20 0 EHADRM Cc1cccc2cc(C(=O)N[C@H](CC(=O)[O-])C3CCCCC3)oc21 ZINC000538514709 1038355437 /nfs/dbraw/zinc/35/54/37/1038355437.db2.gz OKPOLDDNVZLZBP-OAHLLOKOSA-N -1 0 329.396 3.895 20 0 EHADRM CN(C(=O)c1cc(F)cc(Br)c1[O-])C1(C)CCCC1 ZINC000416220053 1038363450 /nfs/dbraw/zinc/36/34/50/1038363450.db2.gz IUUFOBNCQDASQR-UHFFFAOYSA-N -1 0 330.197 3.699 20 0 EHADRM C[C@H](CNC(=O)C1(c2cccc(Cl)c2)CCCCC1)CC(=O)[O-] ZINC000538588303 1038389909 /nfs/dbraw/zinc/38/99/09/1038389909.db2.gz OPYJSACFZYHYIB-ZDUSSCGKSA-N -1 0 337.847 3.769 20 0 EHADRM Fc1cc(CN=c2[n-]nc(CCCc3ccccc3)o2)cc(F)c1F ZINC000538593058 1038406143 /nfs/dbraw/zinc/40/61/43/1038406143.db2.gz SOJAPYYCAOLOSN-UHFFFAOYSA-N -1 0 347.340 3.696 20 0 EHADRM C=Cc1ccc(CCNC(=O)CC2(CC(=O)[O-])CCCCC2)cc1 ZINC000460856162 1038430496 /nfs/dbraw/zinc/43/04/96/1038430496.db2.gz KHGOZVMGERNQCK-UHFFFAOYSA-N -1 0 329.440 3.804 20 0 EHADRM FCCSc1n[n-]c(=Nc2cccc(Br)c2)s1 ZINC000461538850 1038481838 /nfs/dbraw/zinc/48/18/38/1038481838.db2.gz GBTWZMKIGGFRBE-UHFFFAOYSA-N -1 0 334.239 3.528 20 0 EHADRM Cn1cc(/C=C/c2nc3cc(C(=O)[O-])ccc3o2)c(C(C)(C)C)n1 ZINC000416382688 1038612456 /nfs/dbraw/zinc/61/24/56/1038612456.db2.gz AZZNVHVRTAJZHK-SOFGYWHQSA-N -1 0 325.368 3.727 20 0 EHADRM CC[C@H](C)c1n[n-]c(=Nc2cccc(OC)c2)n1C[C@H]1CCCCO1 ZINC000461804825 1038616134 /nfs/dbraw/zinc/61/61/34/1038616134.db2.gz DJTVFJNQDCYMDY-WMLDXEAASA-N -1 0 344.459 3.535 20 0 EHADRM CCCc1nc(=NC[C@@H](Cc2ccccc2)C(F)(F)F)s[n-]1 ZINC000461881499 1038650932 /nfs/dbraw/zinc/65/09/32/1038650932.db2.gz IULTULIVDJFKNZ-GFCCVEGCSA-N -1 0 329.391 3.746 20 0 EHADRM O=C([O-])CCCCCNc1cncc(SCc2ccccc2)n1 ZINC000416426034 1038653381 /nfs/dbraw/zinc/65/33/81/1038653381.db2.gz HFJGTAXOQRXOEU-UHFFFAOYSA-N -1 0 331.441 3.826 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000431888719 1038787347 /nfs/dbraw/zinc/78/73/47/1038787347.db2.gz YLBULAHGBXDSGW-HNNXBMFYSA-N -1 0 347.455 3.730 20 0 EHADRM CC[C@@H](SC)C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000910255623 1038791905 /nfs/dbraw/zinc/79/19/05/1038791905.db2.gz OMFLAXXULVUEQY-LLVKDONJSA-N -1 0 346.246 3.536 20 0 EHADRM C/C=C\C[C@@H]1CCCN(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])C1 ZINC000910256064 1038792525 /nfs/dbraw/zinc/79/25/25/1038792525.db2.gz VTZQEGVANIJWHU-PYLYLYNFSA-N -1 0 340.423 3.613 20 0 EHADRM O=S(=O)(NCc1cccc2ccccc21)c1cccc(F)c1F ZINC000500475236 1038796254 /nfs/dbraw/zinc/79/62/54/1038796254.db2.gz LQVSMGVMSCLPIB-UHFFFAOYSA-N -1 0 333.359 3.597 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)C[C@H]2CCC3(CCC3)CO2)cc1 ZINC000910295123 1038829180 /nfs/dbraw/zinc/82/91/80/1038829180.db2.gz CLETYNYGOWYJOM-IXDOHACOSA-N -1 0 343.423 3.553 20 0 EHADRM Cc1cccc([C@H](NCc2noc3c2CC(C)(C)CC3)C(=O)[O-])c1C ZINC000905403232 1038861096 /nfs/dbraw/zinc/86/10/96/1038861096.db2.gz ZWYAKJBZSIAEMN-SFHVURJKSA-N -1 0 342.439 3.722 20 0 EHADRM Cc1nc(N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)ccc1C(=O)[O-] ZINC000910374577 1038870343 /nfs/dbraw/zinc/87/03/43/1038870343.db2.gz HCSPEUSGLIZKPB-WBVHZDCISA-N -1 0 344.386 3.584 20 0 EHADRM CCCc1occc1C(=O)N[C@H](CC(=O)[O-])c1ccccc1Cl ZINC000910406297 1038887261 /nfs/dbraw/zinc/88/72/61/1038887261.db2.gz QBHOJNKFPNFJMU-CQSZACIVSA-N -1 0 335.787 3.831 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)N[C@@H](CC(=O)[O-])C1CCCCC1 ZINC000554086743 1038896062 /nfs/dbraw/zinc/89/60/62/1038896062.db2.gz NIJXLALERLWWSX-DYVFJYSZSA-N -1 0 335.419 3.544 20 0 EHADRM CCSc1ccc(CNC(=O)c2ccccc2CCC(=O)[O-])cc1 ZINC000910408767 1038897718 /nfs/dbraw/zinc/89/77/18/1038897718.db2.gz MKJAQONKQNTXDC-UHFFFAOYSA-N -1 0 343.448 3.746 20 0 EHADRM CCOCCO[N-]C(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000184768933 1038912315 /nfs/dbraw/zinc/91/23/15/1038912315.db2.gz SIOFZVYAGSJASS-QGZVFWFLSA-N -1 0 331.437 3.604 20 0 EHADRM O=C([O-])[C@]12C[C@H]1C[C@H](Nc1nccc3cc(C(F)(F)F)ccc31)C2 ZINC000910482094 1038932146 /nfs/dbraw/zinc/93/21/46/1038932146.db2.gz KTORGRKTURFAQI-WQGACYEGSA-N -1 0 336.313 3.919 20 0 EHADRM C[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)NCC(C)(C)CC(F)F ZINC000905561838 1038950435 /nfs/dbraw/zinc/95/04/35/1038950435.db2.gz JRTISLRPRDDRDZ-LBPRGKRZSA-N -1 0 342.386 3.525 20 0 EHADRM COCc1c2ccccc2oc1C(=O)N[C@H](CCCC(C)C)C(=O)[O-] ZINC000910574054 1038971346 /nfs/dbraw/zinc/97/13/46/1038971346.db2.gz DHFYFMNOWSMTTP-OAHLLOKOSA-N -1 0 347.411 3.589 20 0 EHADRM CN(C(=O)N=c1[n-]nc(C(F)F)s1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000416766094 1038986494 /nfs/dbraw/zinc/98/64/94/1038986494.db2.gz DDHJHBCSFLCECX-DTWKUNHWSA-N -1 0 332.420 3.576 20 0 EHADRM O=S(=O)([N-]c1cncc(F)c1)c1c(Cl)ccc2ccccc21 ZINC000500563218 1038994531 /nfs/dbraw/zinc/99/45/31/1038994531.db2.gz DTGYWRDDEVXDKB-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM CC[C@@H](C)n1ncc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1C1CC1 ZINC000910649430 1039003397 /nfs/dbraw/zinc/00/33/97/1039003397.db2.gz XIMOVXHGQXWWHP-BNOWGMLFSA-N -1 0 333.432 3.561 20 0 EHADRM CCc1c(NC(=O)c2ccc(C)c(C(=O)[O-])c2)cnn1CCC(C)C ZINC000910656610 1039006028 /nfs/dbraw/zinc/00/60/28/1039006028.db2.gz PRQHJKWYGHMDLE-UHFFFAOYSA-N -1 0 343.427 3.751 20 0 EHADRM O=C([O-])Cc1cnc(NC(=O)c2ccc(C3CCCC3)cc2)s1 ZINC000910675730 1039015446 /nfs/dbraw/zinc/01/54/46/1039015446.db2.gz VHKONZNGGFYSJB-UHFFFAOYSA-N -1 0 330.409 3.680 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1ccccc1OC(F)F ZINC000488263813 1039023910 /nfs/dbraw/zinc/02/39/10/1039023910.db2.gz OEIDVKLDGBAILG-UHFFFAOYSA-N -1 0 327.352 3.651 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)[C@H]2CCCC[C@@H]2C)nc1C(=O)[O-] ZINC000910722913 1039032953 /nfs/dbraw/zinc/03/29/53/1039032953.db2.gz VFKCXIXFKPCLJG-DRZSPHRISA-N -1 0 336.457 3.640 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)C[C@H](C)CC(C)C)nc1C(=O)[O-] ZINC000910730326 1039036557 /nfs/dbraw/zinc/03/65/57/1039036557.db2.gz LEFSPNFHGYVNFL-DGCLKSJQSA-N -1 0 338.473 3.886 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)C2CCCCCC2)nc1C(=O)[O-] ZINC000910728832 1039037799 /nfs/dbraw/zinc/03/77/99/1039037799.db2.gz YEZSYUQJQPXHBU-CYBMUJFWSA-N -1 0 336.457 3.784 20 0 EHADRM Cc1c(Cl)cccc1C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910741471 1039050780 /nfs/dbraw/zinc/05/07/80/1039050780.db2.gz JIUNAKRXDWZIGR-UHFFFAOYSA-N -1 0 336.800 3.933 20 0 EHADRM CCCCc1ccc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000325332106 1039062229 /nfs/dbraw/zinc/06/22/29/1039062229.db2.gz GRTHBTHLVLJGRM-QGZVFWFLSA-N -1 0 331.456 3.992 20 0 EHADRM CSc1ccc(O[C@@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000500615732 1039071003 /nfs/dbraw/zinc/07/10/03/1039071003.db2.gz JCDLGBSANJSLPV-NSHDSACASA-N -1 0 331.393 3.513 20 0 EHADRM Cc1nc2cc(NC(=O)N[C@H](CC3CCCCC3)C(=O)[O-])ccc2o1 ZINC000570118156 1039079171 /nfs/dbraw/zinc/07/91/71/1039079171.db2.gz LWBANVPESGKVRL-OAHLLOKOSA-N -1 0 345.399 3.681 20 0 EHADRM O=C([O-])CC1CC(NC(=O)CC(c2ccccc2)c2ccccc2)C1 ZINC000910813301 1039088055 /nfs/dbraw/zinc/08/80/55/1039088055.db2.gz WWPMHFBKLHZCDY-UHFFFAOYSA-N -1 0 337.419 3.578 20 0 EHADRM CCc1onc(C)c1CNCc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000905757513 1039091876 /nfs/dbraw/zinc/09/18/76/1039091876.db2.gz SZMXJFUMLVFWCF-UHFFFAOYSA-N -1 0 340.379 3.793 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CCC[C@H]1[C@H](C)c1ccccc1 ZINC000910935748 1039143260 /nfs/dbraw/zinc/14/32/60/1039143260.db2.gz MKQAJCUVYHLFOJ-HIFRSBDPSA-N -1 0 327.380 3.695 20 0 EHADRM O=C([O-])c1coc(/C=C\C(=O)N(Cc2cccc(F)c2)C2CCC2)c1 ZINC000910952759 1039154713 /nfs/dbraw/zinc/15/47/13/1039154713.db2.gz XVBYBYCVSDRITP-FPLPWBNLSA-N -1 0 343.354 3.711 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)CC1 ZINC000911019421 1039186549 /nfs/dbraw/zinc/18/65/49/1039186549.db2.gz GEMLGQHFEHOKGG-UHFFFAOYSA-N -1 0 349.736 3.518 20 0 EHADRM CCCC[C@@H](C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)CC1)C(C)C ZINC000911023942 1039189217 /nfs/dbraw/zinc/18/92/17/1039189217.db2.gz DRCKNZUROVPNEV-GFCCVEGCSA-N -1 0 337.382 3.705 20 0 EHADRM O=C([N-]S(=O)(=O)CCCF)c1ccc(-c2ccc(F)cc2)s1 ZINC000080312299 1039233156 /nfs/dbraw/zinc/23/31/56/1039233156.db2.gz KNGDEAMRGRSTHX-UHFFFAOYSA-N -1 0 345.392 3.548 20 0 EHADRM O=C([O-])C12CCC(C(=O)Nc3ccc4c(c3)CCCC4=O)(CC1)CC2 ZINC000911209486 1039286473 /nfs/dbraw/zinc/28/64/73/1039286473.db2.gz POGSGPVAFZCKMH-UHFFFAOYSA-N -1 0 341.407 3.569 20 0 EHADRM CCCCn1ncc([N-]S(=O)(=O)c2cccc(F)c2)c1C(C)C ZINC000480244335 1039330980 /nfs/dbraw/zinc/33/09/80/1039330980.db2.gz GNDGSYNXQGOPAE-UHFFFAOYSA-N -1 0 339.436 3.747 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1cc(Cl)ccc1OC(F)F ZINC000911370878 1039344958 /nfs/dbraw/zinc/34/49/58/1039344958.db2.gz IGXPQZMOPZPSTJ-UHFFFAOYSA-N -1 0 335.734 3.771 20 0 EHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)N=c2cc3ccccn3[nH]2)o1 ZINC000554441814 1039353576 /nfs/dbraw/zinc/35/35/76/1039353576.db2.gz QRLHJBQMOFVKQH-INIZCTEOSA-N -1 0 338.411 3.807 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000237499549 1039377504 /nfs/dbraw/zinc/37/75/04/1039377504.db2.gz BQKWTAYNRCOFOL-HNNXBMFYSA-N -1 0 325.408 3.578 20 0 EHADRM CCC[C@@H](NC(=O)N=c1[n-]nc(C(F)F)s1)C1CCCCC1 ZINC000480291698 1039385409 /nfs/dbraw/zinc/38/54/09/1039385409.db2.gz OWGWPXKXUVTWPU-SNVBAGLBSA-N -1 0 332.420 3.768 20 0 EHADRM O=C([O-])C1CCC(CC(=O)Nc2ccc(OC(F)F)cc2F)CC1 ZINC000911539169 1039414457 /nfs/dbraw/zinc/41/44/57/1039414457.db2.gz AWNDZHGHNMLQEF-UHFFFAOYSA-N -1 0 345.317 3.647 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)o1 ZINC000911570378 1039418233 /nfs/dbraw/zinc/41/82/33/1039418233.db2.gz IBXQNDKABZKVOB-UMNYSTRASA-N -1 0 343.354 3.583 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N[C@H]2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC000911570374 1039418753 /nfs/dbraw/zinc/41/87/53/1039418753.db2.gz IASGAOAYPDSRMQ-WMZOPIPTSA-N -1 0 341.382 3.519 20 0 EHADRM CCCCc1ccc(C(=O)N[C@](C)(CC(=O)[O-])c2ccccn2)cc1 ZINC000911613481 1039433415 /nfs/dbraw/zinc/43/34/15/1039433415.db2.gz ZWUMRJWWWIYDFA-HXUWFJFHSA-N -1 0 340.423 3.544 20 0 EHADRM Cc1ccc(C([O-])=CS(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000323635377 1039447808 /nfs/dbraw/zinc/44/78/08/1039447808.db2.gz WQGNQONNFPGEPU-UHFFFAOYSA-N -1 0 342.338 3.670 20 0 EHADRM Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1cc(C(=O)[O-])c(C)cc1F ZINC000911680706 1039454734 /nfs/dbraw/zinc/45/47/34/1039454734.db2.gz FDLHXXJUXXXVKE-UHFFFAOYSA-N -1 0 347.390 3.653 20 0 EHADRM C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000911679902 1039455235 /nfs/dbraw/zinc/45/52/35/1039455235.db2.gz UMMRONXHNALWAI-NWDGAFQWSA-N -1 0 335.366 3.601 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1cc(C(=O)[O-])c(C)cc1F ZINC000911682238 1039457691 /nfs/dbraw/zinc/45/76/91/1039457691.db2.gz XCBKUWINRVKPJS-NEPJUHHUSA-N -1 0 333.384 3.944 20 0 EHADRM Cc1cc(F)c(NC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)cc1C(=O)[O-] ZINC000911690171 1039462440 /nfs/dbraw/zinc/46/24/40/1039462440.db2.gz YBKPJSPGNAXFLB-BBRMVZONSA-N -1 0 341.329 3.986 20 0 EHADRM CC(C)Oc1c(NC(=O)CO[C@@H]2CCCC[C@@H]2C)cccc1C(=O)[O-] ZINC000911738789 1039480742 /nfs/dbraw/zinc/48/07/42/1039480742.db2.gz HXBTZUOGPUODAW-XJKSGUPXSA-N -1 0 349.427 3.706 20 0 EHADRM O=C([O-])CCCCCNC(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000238152953 1039500761 /nfs/dbraw/zinc/50/07/61/1039500761.db2.gz GRSXYOVTPVSBRU-KGLIPLIRSA-N -1 0 343.345 3.570 20 0 EHADRM CC(C)c1cc(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)n[nH]1 ZINC000236693789 1039587755 /nfs/dbraw/zinc/58/77/55/1039587755.db2.gz RYDYWDFCNJKLLG-UHFFFAOYSA-N -1 0 329.381 3.698 20 0 EHADRM COc1c(NC(=O)CCCCc2ccccc2)cccc1C(=O)[O-] ZINC000906498714 1039594780 /nfs/dbraw/zinc/59/47/80/1039594780.db2.gz CQWMXXIGWGUNGK-UHFFFAOYSA-N -1 0 327.380 3.745 20 0 EHADRM CC1(C)[C@H](N=c2[n-]nc(C(F)F)s2)C[C@@H]1OCc1ccccc1 ZINC000554679404 1039594893 /nfs/dbraw/zinc/59/48/93/1039594893.db2.gz PJCYLNJQZJEUPK-NEPJUHHUSA-N -1 0 339.411 3.693 20 0 EHADRM CC[C@@H](C)c1ncc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cn1 ZINC000478676166 1039614659 /nfs/dbraw/zinc/61/46/59/1039614659.db2.gz JPBYTSOAXACMIW-CYBMUJFWSA-N -1 0 333.457 3.914 20 0 EHADRM COCc1n[n-]c(=N[C@H]2C[C@@H]3CCC(C)(C)c4cccc2c43)s1 ZINC000345078105 1039624497 /nfs/dbraw/zinc/62/44/97/1039624497.db2.gz IUVJJGZCGTVDNY-FZMZJTMJSA-N -1 0 329.469 3.818 20 0 EHADRM Cc1cc(N2CCCCCC2)ccc1NC(=O)c1cccc2n[nH]nc21 ZINC000552956529 1039666033 /nfs/dbraw/zinc/66/60/33/1039666033.db2.gz CROSIRADCYFGGI-UHFFFAOYSA-N -1 0 349.438 3.899 20 0 EHADRM CC(C)Cc1cc(NC(=O)c2cc(Cl)cc(Cl)c2[O-])n(C)n1 ZINC001142570025 1039698635 /nfs/dbraw/zinc/69/86/35/1039698635.db2.gz YWIQHJLFWHSVJS-UHFFFAOYSA-N -1 0 342.226 3.883 20 0 EHADRM O=C([O-])[C@H](CNC(=O)CC/C=C/c1ccccc1)Cc1ccccc1 ZINC000485925724 1039699075 /nfs/dbraw/zinc/69/90/75/1039699075.db2.gz OPBLMZCJEQJPFK-SSVWKNEZSA-N -1 0 337.419 3.540 20 0 EHADRM CC[C@@H]1CCc2nc([N-]S(=O)(=O)c3cc(C)oc3C)sc2C1 ZINC000345080280 1039720114 /nfs/dbraw/zinc/72/01/14/1039720114.db2.gz VQAKULVDPBJORI-LLVKDONJSA-N -1 0 340.470 3.669 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@@H]3CCC[C@H]3C(=O)[O-])c2)cs1 ZINC000321638317 1039720333 /nfs/dbraw/zinc/72/03/33/1039720333.db2.gz JPJKIGVAZLBYOK-ZIAGYGMSSA-N -1 0 330.409 3.558 20 0 EHADRM Cc1ccc(-c2n[n-]c(=NC(=O)c3cccn3C(C)C)s2)c(C)c1 ZINC000485964061 1039727568 /nfs/dbraw/zinc/72/75/68/1039727568.db2.gz AAXUYONKEIITIQ-UHFFFAOYSA-N -1 0 340.452 3.879 20 0 EHADRM O=C(N=c1nc(-c2ccccc2)[n-]s1)N1CCC2(CCCC2)CC1 ZINC000554890656 1039892128 /nfs/dbraw/zinc/89/21/28/1039892128.db2.gz RXWOFIUHHCAWQQ-UHFFFAOYSA-N -1 0 342.468 3.815 20 0 EHADRM CCN=c1[n-]nc(SCC(=O)c2cccc(Cl)c2Cl)s1 ZINC000554895748 1039916728 /nfs/dbraw/zinc/91/67/28/1039916728.db2.gz LHDYEDTZMVEHLW-UHFFFAOYSA-N -1 0 348.280 3.674 20 0 EHADRM CC(C)C[C@H](C[NH2+]Cc1c(F)cccc1Br)CC(=O)[O-] ZINC000417545247 1039976513 /nfs/dbraw/zinc/97/65/13/1039976513.db2.gz ISKKMMRAHQWFME-NSHDSACASA-N -1 0 346.240 3.815 20 0 EHADRM CCc1nc(C[NH2+]C[C@H](CC(=O)[O-])c2ccc(Cl)cc2)cs1 ZINC000417548969 1039979932 /nfs/dbraw/zinc/97/99/32/1039979932.db2.gz RSVVRFUKYCKKAX-LBPRGKRZSA-N -1 0 338.860 3.707 20 0 EHADRM CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000156532459 1040001260 /nfs/dbraw/zinc/00/12/60/1040001260.db2.gz FRLGXSHKNVAGKH-UHFFFAOYSA-N -1 0 340.713 3.535 20 0 EHADRM COc1ccc([C@H](CCC(=O)[O-])NCc2csc(C3CC3)n2)cc1 ZINC000417580427 1040026342 /nfs/dbraw/zinc/02/63/42/1040026342.db2.gz RAXLYPWRAMPQTN-INIZCTEOSA-N -1 0 346.452 3.725 20 0 EHADRM Cc1cc2cc(CN[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)oc2cc1C ZINC000417586294 1040039065 /nfs/dbraw/zinc/03/90/65/1040039065.db2.gz QPDMBVOJFYQJLO-DYVFJYSZSA-N -1 0 333.428 3.796 20 0 EHADRM C[C@@H](CCc1ccco1)[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000553437739 1040061922 /nfs/dbraw/zinc/06/19/22/1040061922.db2.gz GALRRNCAWRYXAV-VIFPVBQESA-N -1 0 349.786 3.511 20 0 EHADRM O=C([O-])CCCc1ccccc1NCc1ccc(N2CCCC2)nc1 ZINC000417621708 1040072595 /nfs/dbraw/zinc/07/25/95/1040072595.db2.gz KZLDGISMAMDOTF-UHFFFAOYSA-N -1 0 339.439 3.701 20 0 EHADRM CC(C)=CCSC[C@H](NCc1cnc(C(C)(C)C)s1)C(=O)[O-] ZINC000417622541 1040075690 /nfs/dbraw/zinc/07/56/90/1040075690.db2.gz HICSZBZBIQFJJV-ZDUSSCGKSA-N -1 0 342.530 3.683 20 0 EHADRM CC[C@@H](Cc1ccc(NCc2cc(OC)ccc2OC)cc1)C(=O)[O-] ZINC000417615144 1040085819 /nfs/dbraw/zinc/08/58/19/1040085819.db2.gz WVIUBFOQQGZBPW-HNNXBMFYSA-N -1 0 343.423 3.969 20 0 EHADRM COc1ccc(CCC(=O)[O-])cc1NCc1cc(C)c(OC)c(C)c1 ZINC000417633956 1040093448 /nfs/dbraw/zinc/09/34/48/1040093448.db2.gz YLJBIDGZSDEYGT-UHFFFAOYSA-N -1 0 343.423 3.950 20 0 EHADRM CC(C)n1ccc(CN=c2[n-]nc(-c3ccccc3Cl)s2)n1 ZINC000555045306 1040093554 /nfs/dbraw/zinc/09/35/54/1040093554.db2.gz AKVLFONAUCXCBY-UHFFFAOYSA-N -1 0 333.848 3.670 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NCc2ncc(C(F)(F)F)s2)c2ccccc21 ZINC000417628968 1040107365 /nfs/dbraw/zinc/10/73/65/1040107365.db2.gz PQYLBXQIWHEOCE-QWRGUYRKSA-N -1 0 342.342 3.565 20 0 EHADRM COc1cc(C)nc(CNc2ccc(S[C@@H](C)C(=O)[O-])cc2)c1 ZINC000417661423 1040127086 /nfs/dbraw/zinc/12/70/86/1040127086.db2.gz RWYWRDLYBBBNDQ-LBPRGKRZSA-N -1 0 332.425 3.576 20 0 EHADRM COc1cc(C)nc(CNc2ccc(S[C@H](C)C(=O)[O-])cc2)c1 ZINC000417661422 1040127198 /nfs/dbraw/zinc/12/71/98/1040127198.db2.gz RWYWRDLYBBBNDQ-GFCCVEGCSA-N -1 0 332.425 3.576 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)c2cccnc12)c1ccc(F)cc1 ZINC000042676856 1040132370 /nfs/dbraw/zinc/13/23/70/1040132370.db2.gz SZJZXTQKBNOMTH-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM Cc1ccc(C[C@H](NCc2csc(C(C)(C)C)n2)C(=O)[O-])cc1C ZINC000417655134 1040136429 /nfs/dbraw/zinc/13/64/29/1040136429.db2.gz SMTBDUBBAHJFOO-INIZCTEOSA-N -1 0 346.496 3.843 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(Cl)c3occc32)[C@@H]2CCC[C@@H]21 ZINC000907735189 1040149303 /nfs/dbraw/zinc/14/93/03/1040149303.db2.gz GMKJIZAWYJGJNA-WDBKCZKBSA-N -1 0 347.798 3.802 20 0 EHADRM Cc1cc(F)ccc1[C@H](C)NC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC000907785620 1040170126 /nfs/dbraw/zinc/17/01/26/1040170126.db2.gz NAXSWPZXRFARMI-ZLXGRDSLSA-N -1 0 341.382 3.570 20 0 EHADRM O=S(=O)([N-]c1nc(C2CCC2)cs1)c1cc(F)c(F)c(F)c1 ZINC000584878833 1040193348 /nfs/dbraw/zinc/19/33/48/1040193348.db2.gz SPYHUNZUYVCUQC-UHFFFAOYSA-N -1 0 348.371 3.629 20 0 EHADRM c1cc(-c2n[n-]c(=N[C@@H]3CCC[C@@H](c4ccccc4)C3)s2)no1 ZINC000553580732 1040215130 /nfs/dbraw/zinc/21/51/30/1040215130.db2.gz SIFOVRVLHCSTLP-ZIAGYGMSSA-N -1 0 326.425 3.753 20 0 EHADRM CC1(C)CCN(C(=O)c2ccoc2CC(=O)[O-])C[C@@H]1c1ccccc1 ZINC000907871625 1040220319 /nfs/dbraw/zinc/22/03/19/1040220319.db2.gz PHIQCGOEBPKJSH-MRXNPFEDSA-N -1 0 341.407 3.563 20 0 EHADRM CC1(C)CCN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)C[C@H]1c1ccccc1 ZINC000907869785 1040220985 /nfs/dbraw/zinc/22/09/85/1040220985.db2.gz BPAVRGLFBMSJRT-IKGGRYGDSA-N -1 0 329.440 3.530 20 0 EHADRM CC(C)(C)Oc1cccc(NC(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000907971629 1040251563 /nfs/dbraw/zinc/25/15/63/1040251563.db2.gz VUSVUWIAIONYSY-UHFFFAOYSA-N -1 0 343.379 3.580 20 0 EHADRM O=C(c1ccc(O)cc1)C1CCN(Cc2ccc(F)c(F)c2F)CC1 ZINC000667493409 1040258630 /nfs/dbraw/zinc/25/86/30/1040258630.db2.gz QWJHXIHATDOVFU-UHFFFAOYSA-N -1 0 349.352 3.904 20 0 EHADRM CCC(CC)N(CC(C)C)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000486589995 1040263938 /nfs/dbraw/zinc/26/39/38/1040263938.db2.gz NGJOANMUKCJTTJ-UHFFFAOYSA-N -1 0 329.444 3.865 20 0 EHADRM O=C([O-])c1ccc2c(c1)N(C(=O)[C@H]1CCSc3ccccc31)CC2 ZINC000908064410 1040282977 /nfs/dbraw/zinc/28/29/77/1040282977.db2.gz ZZVMNEZEPBGAMR-HNNXBMFYSA-N -1 0 339.416 3.554 20 0 EHADRM C[C@@H](CC(=O)N(C)c1cccc(CC(=O)[O-])c1)c1ccc(F)cc1 ZINC000908076090 1040287516 /nfs/dbraw/zinc/28/75/16/1040287516.db2.gz AIXJUMHOBYJOID-ZDUSSCGKSA-N -1 0 329.371 3.609 20 0 EHADRM CN(C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)c1cccc(CC(=O)[O-])c1 ZINC000908076958 1040288031 /nfs/dbraw/zinc/28/80/31/1040288031.db2.gz ISGGDOKUERFVAP-SJORKVTESA-N -1 0 343.810 3.734 20 0 EHADRM CN(C(=O)CC1CC(c2ccccc2)C1)c1cccc(CC(=O)[O-])c1 ZINC000908080250 1040289217 /nfs/dbraw/zinc/28/92/17/1040289217.db2.gz PKWNMWLHSDVTOM-UHFFFAOYSA-N -1 0 337.419 3.860 20 0 EHADRM CSCc1ccc([N-]S(=O)(=O)c2c(C)cccc2F)cc1 ZINC000479496061 1040301990 /nfs/dbraw/zinc/30/19/90/1040301990.db2.gz MCTRJMDGLBUIEJ-UHFFFAOYSA-N -1 0 325.430 3.798 20 0 EHADRM O=C([O-])c1ccccc1CCNC(=O)c1cc(C2CC2)oc1C1CC1 ZINC000899303985 1040305831 /nfs/dbraw/zinc/30/58/31/1040305831.db2.gz MHDJOGPMDOPGOL-UHFFFAOYSA-N -1 0 339.391 3.705 20 0 EHADRM CSc1ccc(C)c(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000899312517 1040312906 /nfs/dbraw/zinc/31/29/06/1040312906.db2.gz YSFQCBNREQVYBI-CYBMUJFWSA-N -1 0 336.457 3.968 20 0 EHADRM CCCC[C@@H](C(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1)C(C)C ZINC000908172750 1040315936 /nfs/dbraw/zinc/31/59/36/1040315936.db2.gz HHIYTGGSTVHIMQ-NWPKHEMWSA-N -1 0 341.517 3.694 20 0 EHADRM O=c1cc(C2CCOCC2)[n-]n1Cc1ccc(-c2ccccc2)cc1 ZINC000899352999 1040357697 /nfs/dbraw/zinc/35/76/97/1040357697.db2.gz SHBHCCFQNJYGCQ-UHFFFAOYSA-N -1 0 334.419 3.869 20 0 EHADRM Cc1c(C(=O)N2CCC(C)(C(=O)[O-])CC2)oc2c1c(C)ccc2C ZINC000364186819 1040374998 /nfs/dbraw/zinc/37/49/98/1040374998.db2.gz YLBAXZKHWYDNFN-UHFFFAOYSA-N -1 0 329.396 3.685 20 0 EHADRM O=C(Nc1[nH][nH]c2cc(=O)ccc1-2)C1(c2cccnc2)CC2(CCC2)C1 ZINC000908334778 1040396391 /nfs/dbraw/zinc/39/63/91/1040396391.db2.gz DRQHLGHCIJVNHD-UHFFFAOYSA-N -1 0 348.406 3.504 20 0 EHADRM O=C(Nc1[nH][nH]c2cc(=O)ccc1-2)[C@H](c1ccncc1)C1CCCC1 ZINC000908335166 1040397531 /nfs/dbraw/zinc/39/75/31/1040397531.db2.gz ICHPUDLFBRXXLQ-KRWDZBQOSA-N -1 0 336.395 3.576 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)CCC1 ZINC000908339223 1040400297 /nfs/dbraw/zinc/40/02/97/1040400297.db2.gz ZFOMFZIUFIYXPI-IRXDYDNUSA-N -1 0 347.430 3.861 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)C2(Cc3ccc(F)cc3)CC2)CCC1 ZINC000908337207 1040400435 /nfs/dbraw/zinc/40/04/35/1040400435.db2.gz VMKYNPSCVBARAB-UHFFFAOYSA-N -1 0 347.430 3.690 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)C23CC4CC(CC(C4)C2)C3)CCC1 ZINC000908353383 1040406783 /nfs/dbraw/zinc/40/67/83/1040406783.db2.gz CLBIXEPJUSMLKZ-UHFFFAOYSA-N -1 0 333.472 3.744 20 0 EHADRM CCC[C@H](C(=O)Nc1ccc(-n2[n-]c(C3CC3)cc2=O)nc1)C(C)C ZINC000912865868 1040421026 /nfs/dbraw/zinc/42/10/26/1040421026.db2.gz SCKQSFJEPZMLCS-HNNXBMFYSA-N -1 0 342.443 3.595 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)c2cc(F)cc3cccnc32)cc1 ZINC000190883124 1040496502 /nfs/dbraw/zinc/49/65/02/1040496502.db2.gz ZCMRPKADPDPRQO-VMPITWQZSA-N -1 0 336.322 3.724 20 0 EHADRM CC(C)(CC(=O)N[C@H](CC(=O)[O-])c1cccs1)CC(F)(F)F ZINC000908637500 1040544321 /nfs/dbraw/zinc/54/43/21/1040544321.db2.gz IPAKOEHIINWWGT-SECBINFHSA-N -1 0 337.363 3.749 20 0 EHADRM CC(C)=CC[C@H](NC(=O)Nc1cccc(COCC2CC2)c1)C(=O)[O-] ZINC000908619608 1040549092 /nfs/dbraw/zinc/54/90/92/1040549092.db2.gz ULEBXMLTGIETJE-KRWDZBQOSA-N -1 0 346.427 3.544 20 0 EHADRM CSc1ccc(NC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])cc1Cl ZINC000908622630 1040550474 /nfs/dbraw/zinc/55/04/74/1040550474.db2.gz UAHYDWVWJBYYHI-PLMOITTCSA-N -1 0 340.832 3.531 20 0 EHADRM COC(=O)c1nc2ccccc2cc1Nc1ccc(C(=O)[O-])c(C)c1 ZINC001211655197 1040552177 /nfs/dbraw/zinc/55/21/77/1040552177.db2.gz QMUVURPRUSOIGA-UHFFFAOYSA-N -1 0 336.347 3.772 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)Nc1cnn(C(C)C)c1 ZINC000908661439 1040563678 /nfs/dbraw/zinc/56/36/78/1040563678.db2.gz XUQHZSSNMJWJHS-INIZCTEOSA-N -1 0 344.415 3.534 20 0 EHADRM CCC[C@]1(C(=O)[O-])CCCN1C(=O)Nc1nccc(C)c1C1CC1 ZINC000908682558 1040571552 /nfs/dbraw/zinc/57/15/52/1040571552.db2.gz BJAIENXEOPZCGT-GOSISDBHSA-N -1 0 331.416 3.519 20 0 EHADRM CC1(C)CO[C@@H](CCC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000908684584 1040571893 /nfs/dbraw/zinc/57/18/93/1040571893.db2.gz VHNXMZWJLJYQDC-NSHDSACASA-N -1 0 325.792 3.572 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)c2ccc(F)c3ccccc23)s1 ZINC000479750340 1040584855 /nfs/dbraw/zinc/58/48/55/1040584855.db2.gz RULWIUJYPDXUGK-UHFFFAOYSA-N -1 0 329.400 3.802 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N[C@@H](C)c1cccc(OC(C)C)c1 ZINC000908718974 1040589039 /nfs/dbraw/zinc/58/90/39/1040589039.db2.gz GAARSCOYOPSFNW-LBPRGKRZSA-N -1 0 331.368 3.564 20 0 EHADRM CCCc1cccc(CN=c2[n-]nc(Cc3cccc(OC)c3)o2)c1 ZINC000479768876 1040606066 /nfs/dbraw/zinc/60/60/66/1040606066.db2.gz DUHVZGZPMWCJSG-UHFFFAOYSA-N -1 0 337.423 3.656 20 0 EHADRM c1cc(-c2ccccc2)oc1CN=c1[n-]nc(Cc2ccccc2)o1 ZINC000479782381 1040620813 /nfs/dbraw/zinc/62/08/13/1040620813.db2.gz VDBNXCGQSVBYMH-UHFFFAOYSA-N -1 0 331.375 3.954 20 0 EHADRM CCOC(=O)c1cnn(C(C)(C)C)c1Nc1ccc(C(=O)[O-])c(C)c1 ZINC001211655320 1040646636 /nfs/dbraw/zinc/64/66/36/1040646636.db2.gz USPGAQAFDUTWKO-UHFFFAOYSA-N -1 0 345.399 3.565 20 0 EHADRM Cc1cc(/C=C\c2nc3ccc(C(=O)[O-])cc3o2)ccc1-n1cncn1 ZINC000555468354 1040663038 /nfs/dbraw/zinc/66/30/38/1040663038.db2.gz ZPTBOAWOVPUNSP-CLTKARDFSA-N -1 0 346.346 3.586 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ncc(C)c(-c3ccccc3)n2)cc1 ZINC000433110938 1040770002 /nfs/dbraw/zinc/77/00/02/1040770002.db2.gz DBKOPJFDNZOKGG-UHFFFAOYSA-N -1 0 339.420 3.561 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000909096207 1040797284 /nfs/dbraw/zinc/79/72/84/1040797284.db2.gz HVGXIMFLGFTABU-FLIBITNWSA-N -1 0 341.411 3.903 20 0 EHADRM CC(C)(C)c1cnc(CCC(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)o1 ZINC000909095675 1040797855 /nfs/dbraw/zinc/79/78/55/1040797855.db2.gz FBSUDLURVJWUDM-IZZDOVSWSA-N -1 0 342.395 3.641 20 0 EHADRM CC[C@@H]1C[C@H](C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CCO1 ZINC000909123593 1040818080 /nfs/dbraw/zinc/81/80/80/1040818080.db2.gz SXMATEUXQIIVRT-ZWNOBZJWSA-N -1 0 333.409 3.743 20 0 EHADRM Cc1ccccc1[C@H](C)Sc1n[n-]c(=NC[C@H]2CCCO2)s1 ZINC000481391452 1040831834 /nfs/dbraw/zinc/83/18/34/1040831834.db2.gz HPTFIRIPWVRTHT-QWHCGFSZSA-N -1 0 335.498 3.713 20 0 EHADRM CC(C)OCc1cccc(-c2ccc3c(c2)[C@@H](CC(=O)[O-])C(=O)N3)c1 ZINC000899633696 1040884275 /nfs/dbraw/zinc/88/42/75/1040884275.db2.gz HFEBJVUWMDXSRY-QGZVFWFLSA-N -1 0 339.391 3.789 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3F)on2)s1 ZINC000433152180 1040915394 /nfs/dbraw/zinc/91/53/94/1040915394.db2.gz QFUPEHWLZRWPBJ-UHFFFAOYSA-N -1 0 338.385 3.651 20 0 EHADRM CCOc1ccc(S(=O)(=O)C=C([O-])c2ccc(C(C)C)cc2)cc1 ZINC000487312282 1040918097 /nfs/dbraw/zinc/91/80/97/1040918097.db2.gz HFQBZAXSNAOOSS-UHFFFAOYSA-N -1 0 346.448 3.865 20 0 EHADRM Cn1[n-]c(C(=O)N[C@H](CC(C)(C)C)c2ccc(Cl)cc2)cc1=O ZINC000669122362 1040921024 /nfs/dbraw/zinc/92/10/24/1040921024.db2.gz AOXQDIOWHBDHLA-CQSZACIVSA-N -1 0 335.835 3.686 20 0 EHADRM CC(C)(CC(=O)N[C@@](C)(CC(=O)[O-])c1cccc(F)c1)CC(F)F ZINC000909679058 1040929963 /nfs/dbraw/zinc/92/99/63/1040929963.db2.gz DPESCBTZSWLISR-KRWDZBQOSA-N -1 0 345.361 3.703 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)/C=C/c1ccccc1O[C@@H](C)CC ZINC000237014493 1040958107 /nfs/dbraw/zinc/95/81/07/1040958107.db2.gz GVFXLZAYFKSVLW-BOXZDTQESA-N -1 0 333.428 3.589 20 0 EHADRM Cc1ccc(N2CCN(Cc3ccc(Cl)cc3C(=O)[O-])CC2)cc1 ZINC001142643522 1040991360 /nfs/dbraw/zinc/99/13/60/1040991360.db2.gz YMKJWENARBNXSO-UHFFFAOYSA-N -1 0 344.842 3.669 20 0 EHADRM CC(C)(C(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1)C1CC1 ZINC000909805566 1041018264 /nfs/dbraw/zinc/01/82/64/1041018264.db2.gz BBISRHSDYASCHV-UHFFFAOYSA-N -1 0 344.436 3.561 20 0 EHADRM O=C([O-])CC[C@H](CC1CCCCC1)NC(=O)C=C1CCSCC1 ZINC000909842883 1041036819 /nfs/dbraw/zinc/03/68/19/1041036819.db2.gz FWMPCAQPIOTSFL-MRXNPFEDSA-N -1 0 339.501 3.760 20 0 EHADRM Cc1ccc([C@H](CC(=O)N[C@H](C)c2ccc(F)cc2F)C(=O)[O-])cc1 ZINC000899758686 1041064660 /nfs/dbraw/zinc/06/46/60/1041064660.db2.gz JJDCJHBJEFDPAQ-WBMJQRKESA-N -1 0 347.361 3.709 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)N1CCC[C@H](c2ccccc2)C1 ZINC000909923397 1041079849 /nfs/dbraw/zinc/07/98/49/1041079849.db2.gz PQACZSLIVQQKJS-SFHVURJKSA-N -1 0 337.419 3.724 20 0 EHADRM Cc1cc(C)c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C(=O)[O-])c(Cl)c1 ZINC000899762532 1041089987 /nfs/dbraw/zinc/08/99/87/1041089987.db2.gz UGZDLFPWLMVUAZ-MCTLKSGKSA-N -1 0 333.815 3.808 20 0 EHADRM CCc1cccc(CC)c1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-] ZINC000899762312 1041091864 /nfs/dbraw/zinc/09/18/64/1041091864.db2.gz QUPUYPHGHXWTNM-OLPIVMHESA-N -1 0 327.424 3.663 20 0 EHADRM CC(C)CCn1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)n1 ZINC000481572536 1041093092 /nfs/dbraw/zinc/09/30/92/1041093092.db2.gz RRVQOKYBPKNYHQ-UHFFFAOYSA-N -1 0 335.473 3.853 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000899766010 1041095982 /nfs/dbraw/zinc/09/59/82/1041095982.db2.gz QWDSGLUDTHAZEG-RISCZKNCSA-N -1 0 339.432 3.616 20 0 EHADRM CSc1ccc(CNC(=O)C[C@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000899766594 1041096046 /nfs/dbraw/zinc/09/60/46/1041096046.db2.gz UVYXXIUOZLYHEU-KRWDZBQOSA-N -1 0 343.448 3.592 20 0 EHADRM Cc1ccc([C@H](CC(=O)N[C@H](C)c2cccc(F)c2F)C(=O)[O-])cc1 ZINC000899775192 1041111844 /nfs/dbraw/zinc/11/18/44/1041111844.db2.gz KCRMXLUEBDZPGB-DOMZBBRYSA-N -1 0 347.361 3.709 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(F)cc1O ZINC000481600760 1041131192 /nfs/dbraw/zinc/13/11/92/1041131192.db2.gz RGWKBSPAQSIPRN-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccn(CCC(C)C)n1 ZINC000481616888 1041148561 /nfs/dbraw/zinc/14/85/61/1041148561.db2.gz XJOKFZDSSCGMLV-UHFFFAOYSA-N -1 0 341.864 3.692 20 0 EHADRM Cc1ccc(CC[C@@H](C)NC(=O)C[C@H](C(=O)[O-])c2ccc(C)cc2)o1 ZINC000899831774 1041192509 /nfs/dbraw/zinc/19/25/09/1041192509.db2.gz YVZCVQFCVLIORV-KDOFPFPSSA-N -1 0 343.423 3.592 20 0 EHADRM O=C([O-])c1csc([C@@H]2CCCN2C(=O)c2ccc(Cl)s2)n1 ZINC000910112489 1041195348 /nfs/dbraw/zinc/19/53/48/1041195348.db2.gz MPLVVKSYKAZYIY-QMMMGPOBSA-N -1 0 342.829 3.534 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2c2nc(C(=O)[O-])cs2)C1(C)C ZINC000910111936 1041195388 /nfs/dbraw/zinc/19/53/88/1041195388.db2.gz IAQRUIFNINNIKH-BNOWGMLFSA-N -1 0 348.468 3.743 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)Nc1ccccc1Oc1ccccn1 ZINC000899841759 1041205483 /nfs/dbraw/zinc/20/54/83/1041205483.db2.gz DSRZNQCMPVBICD-YJYMSZOUSA-N -1 0 340.379 3.559 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)N[C@H]1CCCc2cccnc21)C1CCCCC1 ZINC000899841624 1041205600 /nfs/dbraw/zinc/20/56/00/1041205600.db2.gz TXHVHEBYHWDSCE-JXFKEZNVSA-N -1 0 344.455 3.637 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)[C@H](CC(=O)[O-])CC(C)C)C(C)(C)C ZINC000899853527 1041214098 /nfs/dbraw/zinc/21/40/98/1041214098.db2.gz WYZYKDJAPLNOQP-YOEHRIQHSA-N -1 0 334.460 3.730 20 0 EHADRM CC[C@](C)(NC(=O)NC[C@H](C)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000555845369 1041217664 /nfs/dbraw/zinc/21/76/64/1041217664.db2.gz KNMSSQKSRZMQNH-VFZGTOFNSA-N -1 0 347.242 3.649 20 0 EHADRM CCC[C@@]1(C)CCCN(C(=O)c2nn(-c3cccc(F)c3)cc2[O-])C1 ZINC000555849420 1041237946 /nfs/dbraw/zinc/23/79/46/1041237946.db2.gz PHNVXGBMQVRTNW-IBGZPJMESA-N -1 0 345.418 3.759 20 0 EHADRM COc1cc([C@H](C)NC(=O)CC(C)(C)C(=O)[O-])cc2ccccc21 ZINC000899857392 1041240867 /nfs/dbraw/zinc/24/08/67/1041240867.db2.gz YVSUMLKMGGJKBL-LBPRGKRZSA-N -1 0 329.396 3.527 20 0 EHADRM Cc1cccnc1C(F)(F)C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000194759007 1041322637 /nfs/dbraw/zinc/32/26/37/1041322637.db2.gz KBQIOVDYBLGWGF-UHFFFAOYSA-N -1 0 335.335 3.550 20 0 EHADRM CO[C@H](C)c1nc(=N[C@@H](C)c2ccc(C(F)(F)F)cc2)s[n-]1 ZINC000509729067 1041324838 /nfs/dbraw/zinc/32/48/38/1041324838.db2.gz OLOKXQAOTWFWGS-DTWKUNHWSA-N -1 0 331.363 3.859 20 0 EHADRM CO[C@@H](C)c1nc(=NCc2cccc(-c3ccccc3)c2)s[n-]1 ZINC000461213557 1041428681 /nfs/dbraw/zinc/42/86/81/1041428681.db2.gz PWOZREULOWZVIJ-ZDUSSCGKSA-N -1 0 325.437 3.947 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)NC1(c2ccccc2Cl)CCC1 ZINC000659164599 1041550443 /nfs/dbraw/zinc/55/04/43/1041550443.db2.gz WEZZLZCEMGYXQF-UHFFFAOYSA-N -1 0 333.771 3.749 20 0 EHADRM C[C@@]1(NC(=O)Cc2cc(Cl)ccc2Cl)CCCC[C@H]1C(=O)[O-] ZINC000432116875 1041612843 /nfs/dbraw/zinc/61/28/43/1041612843.db2.gz NIQYDPGBOBFLAU-BLLLJJGKSA-N -1 0 344.238 3.686 20 0 EHADRM COc1ccc(CCCCC(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])cc1 ZINC000432117936 1041613621 /nfs/dbraw/zinc/61/36/21/1041613621.db2.gz UKSHQCBOPWZUTL-YLJYHZDGSA-N -1 0 347.455 3.558 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)C2 ZINC000392452095 1041642116 /nfs/dbraw/zinc/64/21/16/1041642116.db2.gz DXEOFJZUZJXAHO-KGLIPLIRSA-N -1 0 341.329 3.596 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1 ZINC000652125966 1041673537 /nfs/dbraw/zinc/67/35/37/1041673537.db2.gz OGNVVIVIXXJAHH-MDASCCDHSA-N -1 0 343.467 3.873 20 0 EHADRM CSc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)c(C)o1 ZINC000909374039 1042284176 /nfs/dbraw/zinc/28/41/76/1042284176.db2.gz CBIFQBWQOYEFSP-AWEZNQCLSA-N -1 0 333.409 3.564 20 0 EHADRM CCC(CC)(CC(=O)N[C@@H](C)c1ccccc1OC(C)C)C(=O)[O-] ZINC000048383574 1042332465 /nfs/dbraw/zinc/33/24/65/1042332465.db2.gz SMPPXFWQKVIKHN-AWEZNQCLSA-N -1 0 335.444 3.932 20 0 EHADRM O=C(NCCc1ccc(Cl)s1)c1cc(F)c([O-])c(Cl)c1 ZINC000184273103 1042394964 /nfs/dbraw/zinc/39/49/64/1042394964.db2.gz WXRNJFRLIRXAAR-UHFFFAOYSA-N -1 0 334.199 3.872 20 0 EHADRM O=C([O-])c1cccnc1CN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000652373320 1042426750 /nfs/dbraw/zinc/42/67/50/1042426750.db2.gz OJFDWYIITVWXPR-OAHLLOKOSA-N -1 0 339.420 3.727 20 0 EHADRM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1(C(=O)[O-])CC=CC1 ZINC000663080491 1042429407 /nfs/dbraw/zinc/42/94/07/1042429407.db2.gz RFMRMGILBZCZIR-UHFFFAOYSA-N -1 0 342.222 3.763 20 0 EHADRM CN(Cc1ccc(F)c(Cl)c1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000432277909 1042460119 /nfs/dbraw/zinc/46/01/19/1042460119.db2.gz VHYLHUDHSTUUCQ-UHFFFAOYSA-N -1 0 347.695 3.874 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@@H]1CCSc2ccccc21)CC(=O)[O-] ZINC000663139315 1042488387 /nfs/dbraw/zinc/48/83/87/1042488387.db2.gz ZOGBZSWDCINJIL-DZGCQCFKSA-N -1 0 335.469 3.519 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663149727 1042495349 /nfs/dbraw/zinc/49/53/49/1042495349.db2.gz CIIUNIUMAMXLBX-CYBMUJFWSA-N -1 0 335.400 3.580 20 0 EHADRM O=S(=O)(Cc1cccc(Cl)c1)Nc1ccc(F)c(F)c1F ZINC000244531432 1042496920 /nfs/dbraw/zinc/49/69/20/1042496920.db2.gz ZTGQACWFQHTEFM-UHFFFAOYSA-N -1 0 335.734 3.699 20 0 EHADRM C[C@@H]1SCCN(C(=O)c2cccc(F)c2[O-])[C@@H]1c1ccccc1 ZINC001126204873 1042573392 /nfs/dbraw/zinc/57/33/92/1042573392.db2.gz TWKMHYWHZGLDQD-LRDDRELGSA-N -1 0 331.412 3.850 20 0 EHADRM C[C@H]1SCCN(C(=O)c2cccc(F)c2[O-])[C@@H]1c1ccccc1 ZINC001126204877 1042573611 /nfs/dbraw/zinc/57/36/11/1042573611.db2.gz TWKMHYWHZGLDQD-WBMJQRKESA-N -1 0 331.412 3.850 20 0 EHADRM C[C@@H](CC(=O)[O-])c1ccc(NCc2cc(C(F)(F)F)nn2C)cc1 ZINC000663263099 1042611231 /nfs/dbraw/zinc/61/12/31/1042611231.db2.gz NSWPDRWATNUNRF-JTQLQIEISA-N -1 0 341.333 3.629 20 0 EHADRM COC(=O)c1cccc(-c2noc(-c3ccc(Cl)cc3[O-])n2)c1 ZINC000184874303 1042619426 /nfs/dbraw/zinc/61/94/26/1042619426.db2.gz NKAFQGBGCACPRD-UHFFFAOYSA-N -1 0 330.727 3.549 20 0 EHADRM Oc1ccc(C=Nn2c(=S)[n-]nc2-c2cccc(Cl)c2)cc1 ZINC000254817542 1042634111 /nfs/dbraw/zinc/63/41/11/1042634111.db2.gz XQJBLYPDKXSZCE-UHFFFAOYSA-N -1 0 330.800 3.849 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-])ccc1C(F)(F)F ZINC000601985748 1042654032 /nfs/dbraw/zinc/65/40/32/1042654032.db2.gz RZFUYGDCJFNUJN-RKDXNWHRSA-N -1 0 335.347 3.547 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000236943417 1042661383 /nfs/dbraw/zinc/66/13/83/1042661383.db2.gz YFYSXWSGLSRDEZ-DGCLKSJQSA-N -1 0 338.473 3.933 20 0 EHADRM CC(C)COc1cccc(CNC(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000186690978 1042688684 /nfs/dbraw/zinc/68/86/84/1042688684.db2.gz OWUVEYHDMPBIJR-UHFFFAOYSA-N -1 0 335.350 3.635 20 0 EHADRM O=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)c1c([O-])cccc1F ZINC000186934648 1042727893 /nfs/dbraw/zinc/72/78/93/1042727893.db2.gz RFQKARAZHPKDFQ-LBPRGKRZSA-N -1 0 348.349 3.514 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1cccc(-c2ncco2)c1)CC(=O)[O-] ZINC000663348856 1042738668 /nfs/dbraw/zinc/73/86/68/1042738668.db2.gz CPOLXXWMVBGHFW-ZDUSSCGKSA-N -1 0 345.399 3.600 20 0 EHADRM Cc1oc2ccc(NC(=O)NC[C@@H](C(=O)[O-])C3CCC3)cc2c1C ZINC000663352854 1042744345 /nfs/dbraw/zinc/74/43/45/1042744345.db2.gz VWJQQFMDDUFKIE-OAHLLOKOSA-N -1 0 330.384 3.672 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)Nc1cccc(C(F)F)c1Cl)C1CCC1 ZINC000663352713 1042745166 /nfs/dbraw/zinc/74/51/66/1042745166.db2.gz XGSMZZYVNRSFCP-JTQLQIEISA-N -1 0 346.761 3.900 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2ccc(Br)cc2F)CCC1 ZINC000643341093 1042835599 /nfs/dbraw/zinc/83/55/99/1042835599.db2.gz FRLOLEXKDQTFSQ-UHFFFAOYSA-N -1 0 344.180 3.562 20 0 EHADRM FC(F)c1n[n-]c(=NCc2ccc(COCc3ccccc3)cc2)o1 ZINC000432321840 1042880327 /nfs/dbraw/zinc/88/03/27/1042880327.db2.gz IUVVPAHINWLVIS-UHFFFAOYSA-N -1 0 345.349 3.758 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2sccc2Br)cc1 ZINC000042350442 1042881146 /nfs/dbraw/zinc/88/11/46/1042881146.db2.gz PKAQAACQJICYFJ-UHFFFAOYSA-N -1 0 332.244 3.620 20 0 EHADRM CCCC[N@@H+]1Cc2cccc(NC(=O)CC(C)(C)CC(=O)[O-])c2C1 ZINC000066965809 1042896148 /nfs/dbraw/zinc/89/61/48/1042896148.db2.gz ARBXMYFECIBVIJ-UHFFFAOYSA-N -1 0 332.444 3.632 20 0 EHADRM Cc1cc(/C=C\c2nc3cc(C(=O)[O-])ccc3o2)ccc1-n1cncn1 ZINC000549620487 1042939998 /nfs/dbraw/zinc/93/99/98/1042939998.db2.gz ZZRSSKMGRYODTQ-CLTKARDFSA-N -1 0 346.346 3.586 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)s1 ZINC000057379384 1042940464 /nfs/dbraw/zinc/94/04/64/1042940464.db2.gz LSCDNJSWHQQWDQ-UHFFFAOYSA-N -1 0 333.438 3.501 20 0 EHADRM COc1ccc(-c2nc(=O)c3snc(-c4ccccc4)c3[n-]2)cc1 ZINC000543947895 1043033412 /nfs/dbraw/zinc/03/34/12/1043033412.db2.gz SKTYMBOKIBXCFQ-UHFFFAOYSA-N -1 0 335.388 3.722 20 0 EHADRM CC(C)COc1cccc(CN=c2[n-]nc(-c3cccs3)o2)c1 ZINC000544666044 1043042332 /nfs/dbraw/zinc/04/23/32/1043042332.db2.gz YPGADGFQKCOXQY-UHFFFAOYSA-N -1 0 329.425 3.867 20 0 EHADRM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H]1Cc2ccccc2S1 ZINC000077882515 1043097843 /nfs/dbraw/zinc/09/78/43/1043097843.db2.gz STPSLWVDBLSZDY-LRDDRELGSA-N -1 0 347.461 3.751 20 0 EHADRM CC1=C[C@@H](C)CN(C(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)C1 ZINC000432434624 1043216182 /nfs/dbraw/zinc/21/61/82/1043216182.db2.gz NTTFBLXKHPPFTJ-SNVBAGLBSA-N -1 0 348.859 3.710 20 0 EHADRM O=S(=O)([N-]c1ccc(Oc2ccncc2)cc1)c1ccccc1F ZINC000050534480 1043535866 /nfs/dbraw/zinc/53/58/66/1043535866.db2.gz OZCDRUKMYNPBQC-UHFFFAOYSA-N -1 0 344.367 3.814 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2C[C@@H](c3ccccc3C)C[C@@H]2C)s1 ZINC000606545911 1043597402 /nfs/dbraw/zinc/59/74/02/1043597402.db2.gz IMRIBGMQXXJYPO-KBPBESRZSA-N -1 0 344.484 3.631 20 0 EHADRM Cc1nc([N-]S(=O)(=O)c2cc(Cl)c(C)c(Cl)c2)oc1C ZINC000351507255 1043605275 /nfs/dbraw/zinc/60/52/75/1043605275.db2.gz NWUOYNCBTVIFDU-UHFFFAOYSA-N -1 0 335.212 3.707 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2cncnc2)cc1)c1ccccc1Cl ZINC000344338769 1043684436 /nfs/dbraw/zinc/68/44/36/1043684436.db2.gz QODQXUVZAUJQAN-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1)C1CCCCC1 ZINC000432514927 1043691147 /nfs/dbraw/zinc/69/11/47/1043691147.db2.gz OPXGZPXQHQLTOZ-QKLQHJQFSA-N -1 0 347.430 3.859 20 0 EHADRM CC(C)(C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccc(F)cc1 ZINC000653335559 1043740631 /nfs/dbraw/zinc/74/06/31/1043740631.db2.gz RRWIUZLJKDXHNU-DLBZAZTESA-N -1 0 341.382 3.533 20 0 EHADRM CC(=C([O-])c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000391252538 1043921252 /nfs/dbraw/zinc/92/12/52/1043921252.db2.gz DKDZRESYOWRBPS-MRXNPFEDSA-N -1 0 330.449 3.965 20 0 EHADRM Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1ccccc1C(C)C ZINC000344444253 1044004097 /nfs/dbraw/zinc/00/40/97/1044004097.db2.gz YHASAPSMANXUTB-UHFFFAOYSA-N -1 0 329.372 3.580 20 0 EHADRM CSc1ccsc1C(=O)N=c1cc(-c2ccc(C)s2)[nH][nH]1 ZINC000337476312 1044247325 /nfs/dbraw/zinc/24/73/25/1044247325.db2.gz YOLWMYJTRCWVHJ-UHFFFAOYSA-N -1 0 335.479 3.904 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2ccc(OC(F)F)cc2F)CCCC1 ZINC000337737604 1044411114 /nfs/dbraw/zinc/41/11/14/1044411114.db2.gz BEQVPHNLHWBTPC-UHFFFAOYSA-N -1 0 345.317 3.791 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2N(C)C2CCCC2)cn1 ZINC000337785629 1044443112 /nfs/dbraw/zinc/44/31/12/1044443112.db2.gz WXMDYUHELSBNKL-UHFFFAOYSA-N -1 0 345.468 3.570 20 0 EHADRM CC[C@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])c1cccs1 ZINC000344815138 1044461304 /nfs/dbraw/zinc/46/13/04/1044461304.db2.gz PYOMAZKOEUNMNN-ZDUSSCGKSA-N -1 0 327.409 3.521 20 0 EHADRM Cc1ccc(C(=O)N=c2[n-]nc([C@H]3CCCc4ccccc43)s2)o1 ZINC000432610683 1044491442 /nfs/dbraw/zinc/49/14/42/1044491442.db2.gz DGWXQHVEUUQONR-AWEZNQCLSA-N -1 0 339.420 3.582 20 0 EHADRM CC(C)(C)c1ccc(OCC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000236591586 1044499924 /nfs/dbraw/zinc/49/99/24/1044499924.db2.gz ZFWSQPCCSOTHGS-MRXNPFEDSA-N -1 0 347.455 3.609 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2c(C)cccc2F)ccc1Cl ZINC000432647223 1044603685 /nfs/dbraw/zinc/60/36/85/1044603685.db2.gz RPDXBXFOVHHFLN-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM COC(=O)c1c[nH]c(SCc2nc(-c3ccccc3)cs2)n1 ZINC000432662803 1044633443 /nfs/dbraw/zinc/63/34/43/1044633443.db2.gz BCXCTMMKMQYIOU-UHFFFAOYSA-N -1 0 331.422 3.612 20 0 EHADRM C[C@@H]1CC2(CCC2)CN1C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000614014128 1044817291 /nfs/dbraw/zinc/81/72/91/1044817291.db2.gz YFGAVAHBUHHJAK-GFCCVEGCSA-N -1 0 345.830 3.636 20 0 EHADRM Cc1c(Cl)cc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1Cl ZINC000620511390 1125587193 /nfs/dbraw/zinc/58/71/93/1125587193.db2.gz UGXCFMQBTALCLG-GHMZBOCLSA-N -1 0 328.195 3.907 20 0 EHADRM O=C(CSCc1cccnc1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000154687432 1125745024 /nfs/dbraw/zinc/74/50/24/1125745024.db2.gz SQYHMFPZSDGMLA-UHFFFAOYSA-N -1 0 343.235 3.966 20 0 EHADRM CC(C)[C@@H](NC(=O)c1ccc(O)cc1F)c1nc2ccccc2[nH]1 ZINC000154796295 1125755975 /nfs/dbraw/zinc/75/59/75/1125755975.db2.gz ZZUKAWILYWGIOG-MRXNPFEDSA-N -1 0 327.359 3.535 20 0 EHADRM O=C(Nc1cccc2c1OCCO2)c1ccc2[n-]c(=S)oc2c1 ZINC000073010377 1126975303 /nfs/dbraw/zinc/97/53/03/1126975303.db2.gz BTCVBPYFGVZOPZ-UHFFFAOYSA-N -1 0 328.349 3.514 20 0 EHADRM CC(=O)Nc1ccc(O)c(-c2nc(-c3cccc4[nH]ccc43)no2)c1 ZINC000350575807 1127087731 /nfs/dbraw/zinc/08/77/31/1127087731.db2.gz RZOFIWSAXPBALS-UHFFFAOYSA-N -1 0 334.335 3.549 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1cnc2ccccc2c1O ZINC000180727765 1127183350 /nfs/dbraw/zinc/18/33/50/1127183350.db2.gz TUKFYAPEMDUJNC-UHFFFAOYSA-N -1 0 349.173 3.793 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc3ncccc3c2)c1Cl ZINC000181142457 1127268206 /nfs/dbraw/zinc/26/82/06/1127268206.db2.gz FUVAKSHRXVMTCM-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM O=C(N[C@@H](c1ccccc1)c1cc(Cl)ccc1Cl)c1cn[nH]n1 ZINC000182180413 1127315647 /nfs/dbraw/zinc/31/56/47/1127315647.db2.gz AEWJANRGALVVDM-HNNXBMFYSA-N -1 0 347.205 3.631 20 0 EHADRM CCSCc1cc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)no1 ZINC000186133284 1127316723 /nfs/dbraw/zinc/31/67/23/1127316723.db2.gz MYUMIQWKXOCGOO-UHFFFAOYSA-N -1 0 335.410 3.610 20 0 EHADRM CSCCc1ccc([N-]S(=O)(=O)c2cc(C)oc2C)cc1 ZINC000182794603 1127348127 /nfs/dbraw/zinc/34/81/27/1127348127.db2.gz PTGPFRTYELOODE-UHFFFAOYSA-N -1 0 325.455 3.603 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cnccc2Oc2ccccc2)c(C)o1 ZINC000183114579 1127363316 /nfs/dbraw/zinc/36/33/16/1127363316.db2.gz XVQAHVFSWCOFEB-UHFFFAOYSA-N -1 0 344.392 3.885 20 0 EHADRM C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](c1ccccc1)C1CCCC1 ZINC000184228367 1127398910 /nfs/dbraw/zinc/39/89/10/1127398910.db2.gz DULCTTGYGPDCMW-FZMZJTMJSA-N -1 0 335.391 3.788 20 0 EHADRM CC(C)Cc1n[n-]c(=NCc2cccc(F)c2Br)s1 ZINC000382652297 1127516179 /nfs/dbraw/zinc/51/61/79/1127516179.db2.gz QRNRIQJQKKLJFH-UHFFFAOYSA-N -1 0 344.253 3.672 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)[N-]S(=O)(=O)CCC(C)C ZINC000764770853 1127531603 /nfs/dbraw/zinc/53/16/03/1127531603.db2.gz VKTWQICGPPNDHC-UHFFFAOYSA-N -1 0 349.905 3.558 20 0 EHADRM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)Nc1cccc(C(F)F)c1 ZINC000386190973 1127641570 /nfs/dbraw/zinc/64/15/70/1127641570.db2.gz BTEXBXUMDQBFIN-HNNXBMFYSA-N -1 0 346.333 3.668 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)cc1 ZINC000023371119 1127696008 /nfs/dbraw/zinc/69/60/08/1127696008.db2.gz HJBJETJHTSJKTN-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2csc(-c3ccccc3)n2)c(C)o1 ZINC000671663446 1127773437 /nfs/dbraw/zinc/77/34/37/1127773437.db2.gz LXIVNQCJLJQSLV-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1csc(-c2ccccc2)n1 ZINC000671663229 1127773543 /nfs/dbraw/zinc/77/35/43/1127773543.db2.gz IOAHRCPHYQZHGD-UHFFFAOYSA-N -1 0 336.463 3.981 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1cc(C)sc1C ZINC000032532453 1127853029 /nfs/dbraw/zinc/85/30/29/1127853029.db2.gz APAPEPBDNIFZSS-UHFFFAOYSA-N -1 0 325.455 3.955 20 0 EHADRM CC(C)n1ccc(Nc2ccc3c(O)cc(S(=O)(=O)[O-])cc3c2)c1 ZINC001203166749 1127878543 /nfs/dbraw/zinc/87/85/43/1127878543.db2.gz NZSSNOSYQYMABP-UHFFFAOYSA-N -1 0 346.408 3.918 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3C[C@@H]4CCC[C@H]4C3)n2)cc1 ZINC000155188079 1127927669 /nfs/dbraw/zinc/92/76/69/1127927669.db2.gz BBQRXWSCXLCMGP-HOTGVXAUSA-N -1 0 339.439 3.573 20 0 EHADRM CSc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000351657303 1127979175 /nfs/dbraw/zinc/97/91/75/1127979175.db2.gz SPJFZPDEXIZZQF-UHFFFAOYSA-N -1 0 348.371 3.623 20 0 EHADRM CC1(C)CCC(C)([N-]S(=O)(=O)c2c(F)cc(F)cc2F)CC1 ZINC001670904781 1128012587 /nfs/dbraw/zinc/01/25/87/1128012587.db2.gz YCTPNIBJGAUNSX-UHFFFAOYSA-N -1 0 335.391 3.741 20 0 EHADRM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)c1 ZINC000472790072 1128018936 /nfs/dbraw/zinc/01/89/36/1128018936.db2.gz PRSAZCPJDIIMRI-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1scnc1Cl ZINC000139915377 1128072003 /nfs/dbraw/zinc/07/20/03/1128072003.db2.gz CVUCDEFJFVPMPJ-JTQLQIEISA-N -1 0 343.795 3.792 20 0 EHADRM Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1C(=O)[O-] ZINC000060123684 1128093729 /nfs/dbraw/zinc/09/37/29/1128093729.db2.gz ZAEMVYJZMKCAMT-UHFFFAOYSA-N -1 0 341.388 3.647 20 0 EHADRM O=C(Nc1cccc(-c2nc[nH]n2)c1)c1ccc2[n-]c(=S)oc2c1 ZINC000073648152 1128326333 /nfs/dbraw/zinc/32/63/33/1128326333.db2.gz XNUXCWLUCCPEKG-UHFFFAOYSA-N -1 0 337.364 3.528 20 0 EHADRM COCc1n[n-]c(=N[C@H]2CCCc3c4cc(Cl)ccc4[nH]c32)s1 ZINC000624675040 1128425088 /nfs/dbraw/zinc/42/50/88/1128425088.db2.gz LMWLSJLIHJFEQC-ZDUSSCGKSA-N -1 0 348.859 3.731 20 0 EHADRM C[C@@H](N=c1[n-]nc(C2CCOCC2)s1)c1ccc(F)cc1Cl ZINC000338673433 1128466334 /nfs/dbraw/zinc/46/63/34/1128466334.db2.gz XAHMEHQQRSPYCU-SECBINFHSA-N -1 0 341.839 3.820 20 0 EHADRM CC[C@H]1CCCC[C@@H]1N(C)C(=O)N=c1ncn(C2CCCCC2)[n-]1 ZINC000542725338 1128562969 /nfs/dbraw/zinc/56/29/69/1128562969.db2.gz VAEVUQAPJMNSLM-HOCLYGCPSA-N -1 0 333.480 3.638 20 0 EHADRM FC(F)(F)c1n[n-]c(=NCc2cc(Cl)ccc2Cl)s1 ZINC000542753262 1128577358 /nfs/dbraw/zinc/57/73/58/1128577358.db2.gz CDNGNGMPHLALLX-UHFFFAOYSA-N -1 0 328.146 3.898 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)Cc2ccc(-n3cccc3)cc2)c1 ZINC000542834686 1128676837 /nfs/dbraw/zinc/67/68/37/1128676837.db2.gz UKERDGCDXUCTIB-UHFFFAOYSA-N -1 0 334.375 3.567 20 0 EHADRM Cc1cnc(-c2cccc(NC(=O)c3c([O-])cc(F)cc3F)c2)o1 ZINC000109022729 1128681681 /nfs/dbraw/zinc/68/16/81/1128681681.db2.gz OHJYPTKMAYCPJN-UHFFFAOYSA-N -1 0 330.290 3.886 20 0 EHADRM Fc1ccccc1[C@H]1CC[C@H](N=c2[n-]nc(C3CCOCC3)s2)C1 ZINC000338716317 1128742423 /nfs/dbraw/zinc/74/24/23/1128742423.db2.gz KLUWAOODOUHIAF-KBPBESRZSA-N -1 0 347.459 3.741 20 0 EHADRM Cc1cccc(N=c2[n-]nc(SCCCn3ccnc3)s2)c1C ZINC000499485451 1128848296 /nfs/dbraw/zinc/84/82/96/1128848296.db2.gz QBMZMKXUISAIPQ-UHFFFAOYSA-N -1 0 345.497 3.699 20 0 EHADRM C[C@H](N=c1[n-]nc(C(F)F)o1)c1ccc(F)c(Br)c1 ZINC000338753076 1128856671 /nfs/dbraw/zinc/85/66/71/1128856671.db2.gz IRWMBQHQDLKNMQ-YFKPBYRVSA-N -1 0 336.111 3.504 20 0 EHADRM CC(C)[C@]1(C)C[C@@H]1NC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC001648840457 1120051863 /nfs/dbraw/zinc/05/18/63/1120051863.db2.gz VBHQKFPWQXOBCC-FZMZJTMJSA-N -1 0 346.652 3.973 20 0 EHADRM COc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cccs1 ZINC000107440020 1120162166 /nfs/dbraw/zinc/16/21/66/1120162166.db2.gz RGJAOENBPWCTOS-UHFFFAOYSA-N -1 0 337.344 3.576 20 0 EHADRM O=S(=O)([N-]c1ccnc(Cl)c1)c1cc(Cl)ccc1Cl ZINC000226511998 1120166652 /nfs/dbraw/zinc/16/66/52/1120166652.db2.gz CZRLAVVIJYADBT-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM CC[C@@H](NCc1cc(Cl)sc1Cl)c1nc(C(=O)[O-])c[nH]1 ZINC000904065956 1120351689 /nfs/dbraw/zinc/35/16/89/1120351689.db2.gz WQMFOTQZYDRZJU-SSDOTTSWSA-N -1 0 334.228 3.717 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000185816074 1120430197 /nfs/dbraw/zinc/43/01/97/1120430197.db2.gz CVLPUHZPIFZEQN-QMMMGPOBSA-N -1 0 347.292 3.530 20 0 EHADRM COc1ccc(NC(=O)CC2(C(=O)[O-])CCCCC2)cc1Cl ZINC000013249352 1128917383 /nfs/dbraw/zinc/91/73/83/1128917383.db2.gz BOUJGXKZIDWCKM-UHFFFAOYSA-N -1 0 325.792 3.712 20 0 EHADRM CSc1ccc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000013256026 1128919372 /nfs/dbraw/zinc/91/93/72/1128919372.db2.gz DNQAWTUUYKIUJJ-GOSISDBHSA-N -1 0 329.421 3.780 20 0 EHADRM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C)cc2Cl)cc1F ZINC000187066817 1120485784 /nfs/dbraw/zinc/48/57/84/1120485784.db2.gz POTYQTXXSDCFFW-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM CC(C)c1ccccc1S(=O)(=O)[N-]c1ccnn1[C@H](C)C1CC1 ZINC000188988374 1120521289 /nfs/dbraw/zinc/52/12/89/1120521289.db2.gz XTTOAAIXBRWNHC-CYBMUJFWSA-N -1 0 333.457 3.778 20 0 EHADRM COCc1ccccc1[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000190237830 1120630924 /nfs/dbraw/zinc/63/09/24/1120630924.db2.gz ASMMRTNRODLPHF-UHFFFAOYSA-N -1 0 331.846 3.657 20 0 EHADRM Cc1ncc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)s1 ZINC000443459173 1120681474 /nfs/dbraw/zinc/68/14/74/1120681474.db2.gz YNIIKSCRBPRWLC-UHFFFAOYSA-N -1 0 340.470 3.677 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)c2cc(Cl)sc2Cl)c1 ZINC000225898802 1120757862 /nfs/dbraw/zinc/75/78/62/1120757862.db2.gz BESPYQIDQWCQLP-UHFFFAOYSA-N -1 0 344.219 3.726 20 0 EHADRM CO[C@H](C)CS(=O)(=O)[N-]c1cc(Cl)ccc1SC(C)C ZINC000193326162 1120771016 /nfs/dbraw/zinc/77/10/16/1120771016.db2.gz HASDZAICRIHHPS-SNVBAGLBSA-N -1 0 337.894 3.617 20 0 EHADRM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(Cl)cc1O ZINC000229368106 1120960866 /nfs/dbraw/zinc/96/08/66/1120960866.db2.gz KAQAGOKTVXVFQY-UHFFFAOYSA-N -1 0 329.780 3.602 20 0 EHADRM CCc1cccc([N-]S(=O)(=O)c2cc(C(C)=O)ccc2Cl)c1 ZINC000761887530 1121002281 /nfs/dbraw/zinc/00/22/81/1121002281.db2.gz UUYGMJUQDNZULP-UHFFFAOYSA-N -1 0 337.828 3.906 20 0 EHADRM C[C@@H](CNC(=O)c1cc(-c2ccccc2)nc2ccccc21)CC(=O)[O-] ZINC000761979607 1121023304 /nfs/dbraw/zinc/02/33/04/1121023304.db2.gz UUGPRZKDSHEBHS-CQSZACIVSA-N -1 0 348.402 3.742 20 0 EHADRM CCC(CC)[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000762081998 1121098229 /nfs/dbraw/zinc/09/82/29/1121098229.db2.gz QNNHRTWBQMNPBY-JTQLQIEISA-N -1 0 349.855 3.665 20 0 EHADRM O=C(Cc1ccccc1Br)Nc1cccc(Cl)c1[O-] ZINC000077010719 1128974244 /nfs/dbraw/zinc/97/42/44/1128974244.db2.gz UVXWMPSIZMGYLY-UHFFFAOYSA-N -1 0 340.604 3.989 20 0 EHADRM O=C(N[C@H]1CC2(CCC2)Oc2ccccc21)c1cc(F)c([O-])c(F)c1 ZINC000762624225 1121381523 /nfs/dbraw/zinc/38/15/23/1121381523.db2.gz WBRNQDRNMFSBJX-HNNXBMFYSA-N -1 0 345.345 3.847 20 0 EHADRM O=C(OCc1noc(-c2ccsc2)n1)c1ccc([O-])c(Cl)c1 ZINC000762829832 1121452987 /nfs/dbraw/zinc/45/29/87/1121452987.db2.gz JYVIFJIHVTZAKB-UHFFFAOYSA-N -1 0 336.756 3.514 20 0 EHADRM CC(C)C[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000236787874 1121463785 /nfs/dbraw/zinc/46/37/85/1121463785.db2.gz LDRFCHMOIUOTFZ-JTNHKYCSSA-N -1 0 344.238 3.712 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000236898420 1121467871 /nfs/dbraw/zinc/46/78/71/1121467871.db2.gz HHUHCTLCJFRESF-NEPJUHHUSA-N -1 0 345.361 3.911 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000236936413 1121469406 /nfs/dbraw/zinc/46/94/06/1121469406.db2.gz UDYKDQVKSAXLLZ-NSHDSACASA-N -1 0 335.400 3.880 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)CCc1ccc(-c2ccccc2)o1 ZINC000237032483 1121472077 /nfs/dbraw/zinc/47/20/77/1121472077.db2.gz IFWRUFVZAXNFDY-CQSZACIVSA-N -1 0 329.396 3.591 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000237036892 1121472086 /nfs/dbraw/zinc/47/20/86/1121472086.db2.gz HHUHCTLCJFRESF-VXGBXAGGSA-N -1 0 345.361 3.911 20 0 EHADRM Cc1[nH]c2ccc(C(=O)N(C)Cc3ccc(C(=O)[O-])cc3)cc2c1C ZINC000237070339 1121473111 /nfs/dbraw/zinc/47/31/11/1121473111.db2.gz QIJNJJWXGLIWLL-UHFFFAOYSA-N -1 0 336.391 3.755 20 0 EHADRM CCn1nc(C(C)C)cc1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000237177025 1121475856 /nfs/dbraw/zinc/47/58/56/1121475856.db2.gz BPSTYMRWHPXFAN-UHFFFAOYSA-N -1 0 335.791 3.630 20 0 EHADRM C[C@@H](CC1CCCC1)C(=O)Nc1ccccc1-n1ccc(C(=O)[O-])n1 ZINC000237488449 1121485337 /nfs/dbraw/zinc/48/53/37/1121485337.db2.gz OCYZWKAMPVTIHT-ZDUSSCGKSA-N -1 0 341.411 3.725 20 0 EHADRM C[C@H](CC(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-])C1CCCCC1 ZINC000237645548 1121490457 /nfs/dbraw/zinc/49/04/57/1121490457.db2.gz IINSWBVRPNZPKC-CRAIPNDOSA-N -1 0 331.456 3.653 20 0 EHADRM Cc1cc(OCC(=O)Nc2ccc(C)c(C(=O)[O-])c2)ccc1Cl ZINC000237768165 1121493508 /nfs/dbraw/zinc/49/35/08/1121493508.db2.gz GCFUCEHYMLWTOG-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000238106068 1121502519 /nfs/dbraw/zinc/50/25/19/1121502519.db2.gz FCKQHAUQYJYCBL-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)/C=C/c1ccccc1OC(F)F ZINC000238090145 1121502603 /nfs/dbraw/zinc/50/26/03/1121502603.db2.gz MQVNXTKIEJYAKH-MDZDMXLPSA-N -1 0 347.317 3.567 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)c2csc3ccccc23)cc1 ZINC000238094899 1121502744 /nfs/dbraw/zinc/50/27/44/1121502744.db2.gz UFOXCFMKGWMENY-UHFFFAOYSA-N -1 0 325.389 3.572 20 0 EHADRM Cc1c(C(=O)Nc2ccc3[n-]c(=S)oc3c2)[nH]c2c1C(=O)CCC2 ZINC000762964280 1121616609 /nfs/dbraw/zinc/61/66/09/1121616609.db2.gz HWNYNWCIYSYHJG-UHFFFAOYSA-N -1 0 341.392 3.524 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000915814835 1121642332 /nfs/dbraw/zinc/64/23/32/1121642332.db2.gz HZFZDPGPELMDPF-UHFFFAOYSA-N -1 0 349.795 3.513 20 0 EHADRM CC[C@H](NC(=O)Cc1ccccc1C(=O)[O-])c1ccc(Cl)cc1 ZINC000322470647 1121652139 /nfs/dbraw/zinc/65/21/39/1121652139.db2.gz KVHINJNWMJNIOV-INIZCTEOSA-N -1 0 331.799 3.848 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)[C@@H]1CCCc2sccc21)c1ccccc1 ZINC000322562297 1121657784 /nfs/dbraw/zinc/65/77/84/1121657784.db2.gz DBPNIDNDTSZWNT-HUUCEWRRSA-N -1 0 329.421 3.500 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccccc2)cn1)c1ccc(F)cc1 ZINC000062545594 1121708744 /nfs/dbraw/zinc/70/87/44/1121708744.db2.gz JOVAUCORPFZTCC-UHFFFAOYSA-N -1 0 328.368 3.689 20 0 EHADRM O=S(=O)([N-]c1cccc2c1OCCC2)c1ccc(Cl)s1 ZINC000082353795 1121715319 /nfs/dbraw/zinc/71/53/19/1121715319.db2.gz AVJULCXMZKIQHX-UHFFFAOYSA-N -1 0 329.830 3.527 20 0 EHADRM O=C([O-])C[C@H]1CCCN(c2nccc3c(Br)cccc32)C1 ZINC000300186897 1121865481 /nfs/dbraw/zinc/86/54/81/1121865481.db2.gz LQAPEVRFACDRIR-LLVKDONJSA-N -1 0 349.228 3.688 20 0 EHADRM Cc1cnn(-c2ccc(C(=O)Nc3ccc(/C=C\C(=O)[O-])cc3)cc2)c1 ZINC000916046939 1122033384 /nfs/dbraw/zinc/03/33/84/1122033384.db2.gz BQAGVQSVBWERDS-WCIBSUBMSA-N -1 0 347.374 3.531 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)[N-]S(=O)(=O)C(CC)CC ZINC000153997477 1122159212 /nfs/dbraw/zinc/15/92/12/1122159212.db2.gz XYDFEIQIUIMICH-UHFFFAOYSA-N -1 0 349.905 3.700 20 0 EHADRM O=C(NOCc1ccc(C(F)(F)F)cc1)c1c([O-])cc(F)cc1F ZINC000154107653 1122237398 /nfs/dbraw/zinc/23/73/98/1122237398.db2.gz LRYAKJPYRGJDPW-UHFFFAOYSA-N -1 0 347.239 3.551 20 0 EHADRM Cc1ccc(Br)c(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000123766046 1122264158 /nfs/dbraw/zinc/26/41/58/1122264158.db2.gz JHKXZYXYJAGYEY-UHFFFAOYSA-N -1 0 340.242 3.867 20 0 EHADRM O=C(c1cc(Br)cc(Cl)c1[O-])N1CCCCCC1 ZINC000124053513 1122273337 /nfs/dbraw/zinc/27/33/37/1122273337.db2.gz XPCJNMIIHYKGDN-UHFFFAOYSA-N -1 0 332.625 3.824 20 0 EHADRM COc1ccc(C)cc1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000125293634 1122311048 /nfs/dbraw/zinc/31/10/48/1122311048.db2.gz QJZMODONHBZJDO-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CCCCC1CCC(C(=O)[N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000916805594 1122352388 /nfs/dbraw/zinc/35/23/88/1122352388.db2.gz HXOHWVVIFQYTGY-UHFFFAOYSA-N -1 0 341.448 3.627 20 0 EHADRM CCC(CC)C(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000916813791 1122353485 /nfs/dbraw/zinc/35/34/85/1122353485.db2.gz PNCGXUPIBWGXQZ-UHFFFAOYSA-N -1 0 337.485 3.975 20 0 EHADRM CCNC(=O)c1ccc(NC(=O)c2ccc3ccccc3c2O)cc1 ZINC000126428763 1122405300 /nfs/dbraw/zinc/40/53/00/1122405300.db2.gz ZRYAMBNLJRUVLZ-UHFFFAOYSA-N -1 0 334.375 3.547 20 0 EHADRM Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1ccccc1C ZINC000126551066 1122412244 /nfs/dbraw/zinc/41/22/44/1122412244.db2.gz LZDRVFOIXBSACH-UHFFFAOYSA-N -1 0 328.393 3.759 20 0 EHADRM CCc1n[n-]c(=NC(=O)N2CCCC[C@H]2CCc2ccccc2)s1 ZINC000497672045 1122628025 /nfs/dbraw/zinc/62/80/25/1122628025.db2.gz LWEDABXHXAWYGL-HNNXBMFYSA-N -1 0 344.484 3.542 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCCOCCc2ccccc2)ccc1F ZINC000917659585 1122659443 /nfs/dbraw/zinc/65/94/43/1122659443.db2.gz FUVGEGXOFYUMPP-UHFFFAOYSA-N -1 0 345.370 3.502 20 0 EHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)o1 ZINC000262687311 1122715802 /nfs/dbraw/zinc/71/58/02/1122715802.db2.gz CXMLKVLJSVIGCF-JYJNAYRXSA-N -1 0 333.428 3.923 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N(Cc2ccco2)Cc2cccs2)CC1 ZINC000262722339 1122787746 /nfs/dbraw/zinc/78/77/46/1122787746.db2.gz QMBCSLMMMXAEOL-HDJSIYSDSA-N -1 0 347.436 3.761 20 0 EHADRM CCCn1ncc([N-]S(=O)(=O)c2cc(C)c(C)s2)c1C1CC1 ZINC000556264940 1122906149 /nfs/dbraw/zinc/90/61/49/1122906149.db2.gz GDEVOGHHLHXIDG-UHFFFAOYSA-N -1 0 339.486 3.650 20 0 EHADRM Cc1nc(C2CC2)oc1C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000262788526 1122924049 /nfs/dbraw/zinc/92/40/49/1122924049.db2.gz PEFCYUKAVUVGHU-UHFFFAOYSA-N -1 0 344.367 3.598 20 0 EHADRM COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1ccccc1C(C)C ZINC000131465887 1123114179 /nfs/dbraw/zinc/11/41/79/1123114179.db2.gz JNNXDWRERBWHAV-UHFFFAOYSA-N -1 0 347.436 3.706 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)nc1 ZINC000131694317 1123166567 /nfs/dbraw/zinc/16/65/67/1123166567.db2.gz YCEHVRQIIDAYSI-UHFFFAOYSA-N -1 0 346.452 3.627 20 0 EHADRM CCc1[nH]ccc1C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000556953563 1123233168 /nfs/dbraw/zinc/23/31/68/1123233168.db2.gz KTSPPJOYMJSCBQ-UHFFFAOYSA-N -1 0 343.608 3.951 20 0 EHADRM O=c1nc(-c2ccc3c(c2)CCO3)[n-]c2c(-c3ccccc3)nsc21 ZINC000543018311 1129109790 /nfs/dbraw/zinc/10/97/90/1129109790.db2.gz OBRYTXGBRLRAMC-UHFFFAOYSA-N -1 0 347.399 3.649 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cnn1CC(C)C ZINC000499283920 1123335999 /nfs/dbraw/zinc/33/59/99/1123335999.db2.gz PQGWASSTAPPFKX-UHFFFAOYSA-N -1 0 347.484 3.527 20 0 EHADRM CC(C)(C)c1ccccc1C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000236748552 1123460855 /nfs/dbraw/zinc/46/08/55/1123460855.db2.gz BTPYGHZJYSQMQB-INIZCTEOSA-N -1 0 339.435 3.657 20 0 EHADRM CCC(CC)(CNC(=O)C(C)(C)Cc1cccc(Cl)c1)C(=O)[O-] ZINC000236825103 1123472462 /nfs/dbraw/zinc/47/24/62/1123472462.db2.gz JVQFRCPCNVTVAP-UHFFFAOYSA-N -1 0 339.863 3.916 20 0 EHADRM CCC(CC)(C(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000236867489 1123479184 /nfs/dbraw/zinc/47/91/84/1123479184.db2.gz CHQOJCHRXSZAKM-KRWDZBQOSA-N -1 0 337.847 3.721 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000236877137 1123480024 /nfs/dbraw/zinc/48/00/24/1123480024.db2.gz FYZLDXOQGOLSEZ-QGZVFWFLSA-N -1 0 327.380 3.798 20 0 EHADRM O=C(Nc1cccc(Oc2cnccn2)c1)c1ccc(Cl)cc1[O-] ZINC000076250890 1123483911 /nfs/dbraw/zinc/48/39/11/1123483911.db2.gz DEXGPCQHXZTFKW-UHFFFAOYSA-N -1 0 341.754 3.880 20 0 EHADRM C[C@@H](OCCCNC(=O)c1c([O-])cc(F)cc1F)c1ccccc1 ZINC000066043902 1129125654 /nfs/dbraw/zinc/12/56/54/1129125654.db2.gz XFRUGUFUKODYAF-GFCCVEGCSA-N -1 0 335.350 3.568 20 0 EHADRM CCN(Cc1ccccc1Cl)C(=O)c1c([O-])cc(F)cc1F ZINC000066044484 1129125767 /nfs/dbraw/zinc/12/57/67/1129125767.db2.gz RXUZIMJPEYHHOA-UHFFFAOYSA-N -1 0 325.742 3.986 20 0 EHADRM CC[C@H](CNC(=O)[C@@H](CC)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000649264820 1123508860 /nfs/dbraw/zinc/50/88/60/1123508860.db2.gz IYQRXAHZXSLWES-QWHCGFSZSA-N -1 0 345.361 3.501 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)o1 ZINC000238027241 1123555843 /nfs/dbraw/zinc/55/58/43/1123555843.db2.gz KCFBJXSSLLMNGW-INIZCTEOSA-N -1 0 331.343 3.778 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)c1 ZINC000238153031 1123566621 /nfs/dbraw/zinc/56/66/21/1123566621.db2.gz AYUCIUYOFGPAEJ-NEPJUHHUSA-N -1 0 335.281 3.544 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cnc(-c3ccccc3F)s2)c1 ZINC000238228583 1123572028 /nfs/dbraw/zinc/57/20/28/1123572028.db2.gz JWRGKTJNXNJLAB-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(C)c2O)s1 ZINC000135091837 1123581097 /nfs/dbraw/zinc/58/10/97/1123581097.db2.gz KAANERNUTQIUMS-UHFFFAOYSA-N -1 0 331.846 3.779 20 0 EHADRM O=S(=O)([N-]c1ccc2ncccc2c1)c1cc(F)ccc1Cl ZINC000135930397 1123653964 /nfs/dbraw/zinc/65/39/64/1123653964.db2.gz IIFYJILUNOMKHH-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM COCc1nc2cc(NC(=O)c3cc(Cl)ccc3[O-])ccc2o1 ZINC000080038194 1123735449 /nfs/dbraw/zinc/73/54/49/1123735449.db2.gz YGRZCPFNEDDBJN-UHFFFAOYSA-N -1 0 332.743 3.586 20 0 EHADRM Cc1ccc([C@@H](NC(=O)N=c2[n-]nc(C(C)(C)C)s2)C2CC2)cc1 ZINC000615567870 1123828042 /nfs/dbraw/zinc/82/80/42/1123828042.db2.gz SUHNDBXSYBWJFD-CQSZACIVSA-N -1 0 344.484 3.839 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N[C@H](C)[C@H](C)C(=O)[O-] ZINC000263478242 1123891479 /nfs/dbraw/zinc/89/14/79/1123891479.db2.gz UBBZWYGGZLBEFJ-CMPLNLGQSA-N -1 0 325.364 3.733 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)CCCOc2ccc(F)cc2)cc1 ZINC000238145809 1123994689 /nfs/dbraw/zinc/99/46/89/1123994689.db2.gz BHGHZTSOVJKXJZ-LFYBBSHMSA-N -1 0 343.354 3.721 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000238163686 1123998974 /nfs/dbraw/zinc/99/89/74/1123998974.db2.gz OCIGMHCBBBSEDP-UHFFFAOYSA-N -1 0 335.400 3.929 20 0 EHADRM CC(=O)c1ccc(C(=O)NC2(c3cccc(F)c3)CCC2)cc1O ZINC000616466485 1124005670 /nfs/dbraw/zinc/00/56/70/1124005670.db2.gz IGMIAUOAODNTBE-UHFFFAOYSA-N -1 0 327.355 3.543 20 0 EHADRM C[C@H](CCC(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000263537400 1124028711 /nfs/dbraw/zinc/02/87/11/1124028711.db2.gz PGDHWYGGNKIOEK-RDTXWAMCSA-N -1 0 343.398 3.694 20 0 EHADRM C[C@H](SCCC[N-]C(=O)C(F)(F)F)c1ccc(F)cc1F ZINC000180782598 1124076677 /nfs/dbraw/zinc/07/66/77/1124076677.db2.gz ONGUADVHYKKFCA-QMMMGPOBSA-N -1 0 327.318 3.828 20 0 EHADRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000084920323 1124604419 /nfs/dbraw/zinc/60/44/19/1124604419.db2.gz YFZSQQYCHGBTHG-UHFFFAOYSA-N -1 0 337.784 3.896 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2cc[nH]n2)cc1)c1cc2ccccc2o1 ZINC000084920338 1124604859 /nfs/dbraw/zinc/60/48/59/1124604859.db2.gz PRHOLIQTDXAMAD-UHFFFAOYSA-N -1 0 339.376 3.624 20 0 EHADRM CC(C)(C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000069543940 1124873645 /nfs/dbraw/zinc/87/36/45/1124873645.db2.gz HQIKPUIOAPKALU-UHFFFAOYSA-N -1 0 337.828 3.963 20 0 EHADRM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)cc1 ZINC000091016931 1124949714 /nfs/dbraw/zinc/94/97/14/1124949714.db2.gz LMCDTMLWGXPBHU-UHFFFAOYSA-N -1 0 341.816 3.634 20 0 EHADRM C[C@H](Oc1cccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c1)C(=O)[O-] ZINC000069620842 1124955640 /nfs/dbraw/zinc/95/56/40/1124955640.db2.gz USMYDVIDBXYXND-ZENNRRHLSA-N -1 0 338.319 3.511 20 0 EHADRM COC(=O)c1cccc(NC(=O)c2cc(F)c([O-])c(Cl)c2)c1C ZINC000618398344 1125069371 /nfs/dbraw/zinc/06/93/71/1125069371.db2.gz JDZNPKFOEDQBLI-UHFFFAOYSA-N -1 0 337.734 3.532 20 0 EHADRM Cc1cc(Cl)c(C(=O)NN=c2[n-]c(-c3ccccc3)no2)cc1C ZINC000181985129 1125110135 /nfs/dbraw/zinc/11/01/35/1125110135.db2.gz WNILIBMICRGNAC-UHFFFAOYSA-N -1 0 342.786 3.764 20 0 EHADRM CCC1(CC)CCCN(C(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)C1 ZINC000618667523 1125149119 /nfs/dbraw/zinc/14/91/19/1125149119.db2.gz IZRMFEBUFGRUNZ-UHFFFAOYSA-N -1 0 341.455 3.516 20 0 EHADRM Cc1cccc(Oc2ccccc2NC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])c1 ZINC000262162118 1125409331 /nfs/dbraw/zinc/40/93/31/1125409331.db2.gz PVHONIUZDXHBCJ-CABCVRRESA-N -1 0 325.364 3.837 20 0 EHADRM CO[C@H](C(=O)[O-])c1ccccc1-c1ccc(NC(=O)C(C)(C)C)nc1 ZINC000657204918 1129201218 /nfs/dbraw/zinc/20/12/18/1129201218.db2.gz CEFQCBASGXQUKS-INIZCTEOSA-N -1 0 342.395 3.505 20 0 EHADRM COc1nc(C(F)(F)F)ccc1-c1ccc(CCC(=O)[O-])c(F)c1 ZINC000657206730 1129205797 /nfs/dbraw/zinc/20/57/97/1129205797.db2.gz CAKFJSMCMJQFKH-UHFFFAOYSA-N -1 0 343.276 3.932 20 0 EHADRM CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000314389211 1129257009 /nfs/dbraw/zinc/25/70/09/1129257009.db2.gz VLSOXNWINAYEEW-QWHCGFSZSA-N -1 0 342.222 3.619 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nn(C3CCCCC3)cc2C)s1 ZINC000543160928 1129305133 /nfs/dbraw/zinc/30/51/33/1129305133.db2.gz GEIMHRHHNLSLQK-UHFFFAOYSA-N -1 0 339.486 3.867 20 0 EHADRM O=S(=O)([N-][C@@H](C1CCCCC1)C(F)(F)F)c1cccs1 ZINC000543170128 1129306642 /nfs/dbraw/zinc/30/66/42/1129306642.db2.gz PJCNYRJARQUPJL-NSHDSACASA-N -1 0 327.393 3.538 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000080715009 1129375339 /nfs/dbraw/zinc/37/53/39/1129375339.db2.gz KAVKJDWFPPWFAP-SJORKVTESA-N -1 0 331.412 3.717 20 0 EHADRM O=C([O-])[C@H]1CCCCCN1C(=O)c1cc(F)c(Cl)cc1Cl ZINC000080987059 1129392195 /nfs/dbraw/zinc/39/21/95/1129392195.db2.gz NZZUGYQZRDBYFK-GFCCVEGCSA-N -1 0 334.174 3.602 20 0 EHADRM CCN(Cc1ccccc1Cl)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000358608616 1129405839 /nfs/dbraw/zinc/40/58/39/1129405839.db2.gz MNKDUOZPPPANEA-UHFFFAOYSA-N -1 0 335.762 3.840 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)Nc2cc(Br)cc(Cl)c2[O-])CCO1 ZINC000272118540 1129423361 /nfs/dbraw/zinc/42/33/61/1129423361.db2.gz ZBCGETSPKAVOBR-SFYZADRCSA-N -1 0 348.624 3.562 20 0 EHADRM Cc1ccc(-n2cc([N-]S(=O)(=O)c3cccc(C)c3)cn2)c(C)c1 ZINC000466430769 1129442637 /nfs/dbraw/zinc/44/26/37/1129442637.db2.gz KNTMUSMDHFTTPQ-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2ncsc2C(C)C)c1 ZINC000673497470 1129466919 /nfs/dbraw/zinc/46/69/19/1129466919.db2.gz AOQUSHROJMDTHE-UHFFFAOYSA-N -1 0 347.465 3.924 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)c(C)c1 ZINC000480716028 1129478581 /nfs/dbraw/zinc/47/85/81/1129478581.db2.gz VZQKXLUWYYMTQG-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM CN(Cc1ccc(F)cc1F)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000735846402 1131384041 /nfs/dbraw/zinc/38/40/41/1131384041.db2.gz GHMHSMLYPRHCHF-UHFFFAOYSA-N -1 0 334.347 3.667 20 0 EHADRM c1ccc2nc(N3CCCCC3)c(CN=c3[n-]c(C4CC4)no3)cc2c1 ZINC000347754529 1129688237 /nfs/dbraw/zinc/68/82/37/1129688237.db2.gz JFUOZHIMEDHEKT-UHFFFAOYSA-N -1 0 349.438 3.520 20 0 EHADRM FC(F)Oc1ccc2ccccc2c1CN=c1[n-]c(C2CC2)no1 ZINC000347753847 1129690798 /nfs/dbraw/zinc/69/07/98/1129690798.db2.gz HKGIBMQDZFUYGV-UHFFFAOYSA-N -1 0 331.322 3.736 20 0 EHADRM Cc1ccc(C(=O)Nc2cccc(-n3ncc(C(=O)[O-])c3C)c2)s1 ZINC000347772912 1129724649 /nfs/dbraw/zinc/72/46/49/1129724649.db2.gz ISESQUGQSNWXTO-UHFFFAOYSA-N -1 0 341.392 3.501 20 0 EHADRM CCCN=c1[n-]nc(SC[C@H](OC)c2ccc(Cl)cc2)s1 ZINC000509099205 1129745191 /nfs/dbraw/zinc/74/51/91/1129745191.db2.gz MUUPOGLREPJXNH-LBPRGKRZSA-N -1 0 343.905 3.915 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])s1)c1ccccc1C(F)(F)F ZINC000509106582 1129752453 /nfs/dbraw/zinc/75/24/53/1129752453.db2.gz DKQIYCSMSXGGSY-QMMMGPOBSA-N -1 0 343.326 3.956 20 0 EHADRM Cc1nc(Cl)c(Nc2ccc(C(=O)[O-])c(F)c2F)c(Cl)n1 ZINC001212510866 1129869999 /nfs/dbraw/zinc/86/99/99/1129869999.db2.gz GTRZXRZQENKHGU-UHFFFAOYSA-N -1 0 334.109 3.812 20 0 EHADRM O=C([O-])c1ccc(Nc2c[nH]c(C(F)(F)F)cc2=O)c(F)c1F ZINC001212511098 1129875834 /nfs/dbraw/zinc/87/58/34/1129875834.db2.gz RRQOMZLXCKHPDY-UHFFFAOYSA-N -1 0 334.200 3.526 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2c[nH]c(C(C)C)n2)cc1Cl ZINC000673884903 1129895669 /nfs/dbraw/zinc/89/56/69/1129895669.db2.gz DQNBPDQXTMHYCB-UHFFFAOYSA-N -1 0 345.877 3.709 20 0 EHADRM Cc1ccc(NC(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])c(C)c1 ZINC000673920997 1129905990 /nfs/dbraw/zinc/90/59/90/1129905990.db2.gz PFCJTFXQTPUBMT-UHFFFAOYSA-N -1 0 343.333 3.725 20 0 EHADRM CC(C)(C)c1cc2ncc(Nc3ccc(C(=O)[O-])c(F)c3F)cn2n1 ZINC001212512512 1129921150 /nfs/dbraw/zinc/92/11/50/1129921150.db2.gz PNYYUJHLPNGRLT-UHFFFAOYSA-N -1 0 346.337 3.747 20 0 EHADRM O=C([O-])c1ccc(Nc2cccnc2-c2ccccn2)c(F)c1F ZINC001212512627 1129922052 /nfs/dbraw/zinc/92/20/52/1129922052.db2.gz WESMMQOGUYCDKF-UHFFFAOYSA-N -1 0 327.290 3.864 20 0 EHADRM CC(C)(C)Cc1n[n-]c(=NCc2nc(-c3ccccc3)cs2)o1 ZINC000347881729 1129973917 /nfs/dbraw/zinc/97/39/17/1129973917.db2.gz NNCDPSINKIJNGE-UHFFFAOYSA-N -1 0 328.441 3.816 20 0 EHADRM CSc1ccncc1[N-]S(=O)(=O)c1ccc(C)cc1Cl ZINC000674715397 1130178967 /nfs/dbraw/zinc/17/89/67/1130178967.db2.gz PJLIOTWIFKHKID-UHFFFAOYSA-N -1 0 328.846 3.566 20 0 EHADRM CSc1ccncc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000675124700 1130256916 /nfs/dbraw/zinc/25/69/16/1130256916.db2.gz VMPLSAMRLILTCC-UHFFFAOYSA-N -1 0 330.381 3.542 20 0 EHADRM Cc1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cccc1C(F)(F)F ZINC000675431451 1130368623 /nfs/dbraw/zinc/36/86/23/1130368623.db2.gz MZVGRCOJESUGSO-WDEREUQCSA-N -1 0 327.302 3.619 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)NCCc1ccc(-c2ccccc2)cc1 ZINC000675723452 1130462443 /nfs/dbraw/zinc/46/24/43/1130462443.db2.gz STDXSBBFWYKDEQ-WOJBJXKFSA-N -1 0 349.430 3.679 20 0 EHADRM O=C([O-])CN(C(=O)c1cc2cc(Cl)ccc2o1)C1CCCCC1 ZINC000675992556 1130513752 /nfs/dbraw/zinc/51/37/52/1130513752.db2.gz IDMGBZUFYKLDSL-UHFFFAOYSA-N -1 0 335.787 3.946 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000675994159 1130515367 /nfs/dbraw/zinc/51/53/67/1130515367.db2.gz UVKWNJSTIUIFFQ-UHFFFAOYSA-N -1 0 330.211 3.853 20 0 EHADRM O=C([O-])[C@@]1(CC(=O)Nc2cc(C(F)F)ccc2Cl)CCSC1 ZINC000676026851 1130518106 /nfs/dbraw/zinc/51/81/06/1130518106.db2.gz NTPKJCKUFGPFOC-CQSZACIVSA-N -1 0 349.786 3.814 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000676024315 1130518137 /nfs/dbraw/zinc/51/81/37/1130518137.db2.gz XYEWHDCTAJHWPL-INIZCTEOSA-N -1 0 347.455 3.729 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000676025716 1130518148 /nfs/dbraw/zinc/51/81/48/1130518148.db2.gz AYMZWBYUXXDBFU-VHSXEESVSA-N -1 0 329.730 3.883 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1cc2c(cccc2Cl)s1)C(=O)[O-] ZINC000676217082 1130549363 /nfs/dbraw/zinc/54/93/63/1130549363.db2.gz SRKYMEUIYRMEPW-LLVKDONJSA-N -1 0 325.817 3.784 20 0 EHADRM C[C@@H](NC(=O)c1n[n-]c2ccccc2c1=O)c1cccc2ccccc21 ZINC000731861851 1130850688 /nfs/dbraw/zinc/85/06/88/1130850688.db2.gz QOIDOFKEJHKBCD-CYBMUJFWSA-N -1 0 343.386 3.980 20 0 EHADRM CC1(C)CN(C(=O)c2n[n-]c3ccccc3c2=O)[C@@H]1c1ccccc1 ZINC000732276743 1130904862 /nfs/dbraw/zinc/90/48/62/1130904862.db2.gz ZNZSBUMXHGZAIS-GOSISDBHSA-N -1 0 333.391 3.559 20 0 EHADRM CC(C)(C)c1ccc(CCNC(=O)c2n[n-]c3ccccc3c2=O)cc1 ZINC000732270580 1130907785 /nfs/dbraw/zinc/90/77/85/1130907785.db2.gz YNQQNBFXGVINOZ-UHFFFAOYSA-N -1 0 349.434 3.605 20 0 EHADRM CC(C)CCS(=O)(=O)[N-]C(=O)c1cccc(Oc2ccccc2)c1 ZINC000732512395 1130929813 /nfs/dbraw/zinc/92/98/13/1130929813.db2.gz HZAUZHODOPTKCD-UHFFFAOYSA-N -1 0 347.436 3.585 20 0 EHADRM CCCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000732610470 1130942280 /nfs/dbraw/zinc/94/22/80/1130942280.db2.gz BDMFMIYNPLSPGG-LBPRGKRZSA-N -1 0 346.880 3.537 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2c(C)cnn2-c2ccccc2)c1 ZINC000176971128 1131157297 /nfs/dbraw/zinc/15/72/97/1131157297.db2.gz WQDCUCJPUSAPPQ-UHFFFAOYSA-N -1 0 341.436 3.544 20 0 EHADRM CCN(C(=O)c1csc(C(C)(C)C)n1)c1cccc(C(=O)[O-])c1 ZINC000737839733 1131456410 /nfs/dbraw/zinc/45/64/10/1131456410.db2.gz FJRVIYUWTSVKPW-UHFFFAOYSA-N -1 0 332.425 3.806 20 0 EHADRM CC[C@@H](CC(=O)[N-]S(=O)(=O)C1CCCCC1)c1ccc(C)cc1 ZINC000739173284 1131492661 /nfs/dbraw/zinc/49/26/61/1131492661.db2.gz FSVZKZCKLANSBT-HNNXBMFYSA-N -1 0 337.485 3.657 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)[N-]S(=O)(=O)c2ccccc2C)cc1 ZINC000739138569 1131493032 /nfs/dbraw/zinc/49/30/32/1131493032.db2.gz UMCRTZOPHQJZKE-HNNXBMFYSA-N -1 0 345.464 3.556 20 0 EHADRM CC(C)CCS(=O)(=O)[N-]C(=O)C[C@H](C)c1ccc(C(C)C)cc1 ZINC000739184451 1131493132 /nfs/dbraw/zinc/49/31/32/1131493132.db2.gz VZVOZPOBHWXSEW-HNNXBMFYSA-N -1 0 339.501 3.796 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)[N-]S(=O)(=O)CC(CC)CC)cc1 ZINC000739185153 1131493420 /nfs/dbraw/zinc/49/34/20/1131493420.db2.gz FAYPNYSTYRVLRW-AWEZNQCLSA-N -1 0 339.501 3.625 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1 ZINC000737349612 1131494054 /nfs/dbraw/zinc/49/40/54/1131494054.db2.gz ZREZCPHYIXXAGP-GOEBONIOSA-N -1 0 337.485 3.800 20 0 EHADRM CCC[C@@H](CCc1ccccc1)NC(=O)c1n[n-]c2ccccc2c1=O ZINC000741708971 1131638609 /nfs/dbraw/zinc/63/86/09/1131638609.db2.gz ARSWDBYNYKZDSL-INIZCTEOSA-N -1 0 349.434 3.867 20 0 EHADRM CS[C@H]1CC[C@H](NS(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000742327845 1131706184 /nfs/dbraw/zinc/70/61/84/1131706184.db2.gz HNMQNJBMMAXVSE-UWVGGRQHSA-N -1 0 340.297 3.556 20 0 EHADRM CC(C)n1cc2cc(NC(=O)c3c([O-])cc(F)cc3F)ccc2n1 ZINC000743419930 1131918297 /nfs/dbraw/zinc/91/82/97/1131918297.db2.gz PWYOITNLWOLWQO-UHFFFAOYSA-N -1 0 331.322 3.853 20 0 EHADRM CCC[C@H](CC)NC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC000743836464 1131983726 /nfs/dbraw/zinc/98/37/26/1131983726.db2.gz QRIOBCNFVAFYDJ-HNNXBMFYSA-N -1 0 348.468 3.520 20 0 EHADRM CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000744014300 1132007396 /nfs/dbraw/zinc/00/73/96/1132007396.db2.gz RXEUOQRXZYJKKJ-CQSZACIVSA-N -1 0 337.485 3.587 20 0 EHADRM CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000744071411 1132014957 /nfs/dbraw/zinc/01/49/57/1132014957.db2.gz CPKMVUHFZZBRLE-NSHDSACASA-N -1 0 349.855 3.891 20 0 EHADRM CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(C)sc1C ZINC000744078878 1132016906 /nfs/dbraw/zinc/01/69/06/1132016906.db2.gz AZJLNLCXXWCJMC-NSHDSACASA-N -1 0 331.503 3.776 20 0 EHADRM COc1cccc(Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)c1 ZINC001173827911 1132161321 /nfs/dbraw/zinc/16/13/21/1132161321.db2.gz AWJBHCGRPBRSCL-UHFFFAOYSA-N -1 0 329.377 3.839 20 0 EHADRM COc1cc(F)ccc1Nc1ccc2c(cccc2S(=O)(=O)[O-])c1 ZINC001174131219 1132247867 /nfs/dbraw/zinc/24/78/67/1132247867.db2.gz NGXJBLJTPKOSGN-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM COc1ccc(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)c(F)c1 ZINC001174145802 1132254331 /nfs/dbraw/zinc/25/43/31/1132254331.db2.gz LXGFHYJADJOLFY-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cccc3c2CCCC3)cnn1CC(C)C ZINC000766333592 1132298172 /nfs/dbraw/zinc/29/81/72/1132298172.db2.gz UBHGYNWQXNDKHC-UHFFFAOYSA-N -1 0 347.484 3.527 20 0 EHADRM COc1cc(NC2=CCN(C(=O)OC(C)(C)C)CC2)ccc1[S-] ZINC001174442714 1132359981 /nfs/dbraw/zinc/35/99/81/1132359981.db2.gz SJPKXLLNLBZVHW-UHFFFAOYSA-N -1 0 336.457 3.921 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2cc(F)ccc2C(F)(F)F)cc1 ZINC001174486303 1132370472 /nfs/dbraw/zinc/37/04/72/1132370472.db2.gz MKLBKLMSXRGOCJ-UHFFFAOYSA-N -1 0 335.278 3.835 20 0 EHADRM COC(=O)c1ccc(F)c(F)c1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174496728 1132371675 /nfs/dbraw/zinc/37/16/75/1132371675.db2.gz SYVHQGIFIWQFEF-VMPITWQZSA-N -1 0 333.290 3.593 20 0 EHADRM COC(=O)c1cc(F)c(Nc2cccc(/C=C/C(=O)[O-])c2)c(C)c1F ZINC001174497540 1132372811 /nfs/dbraw/zinc/37/28/11/1132372811.db2.gz XDNUKQGRFGKAOP-VOTSOKGWSA-N -1 0 347.317 3.901 20 0 EHADRM COc1ccc([C@H](C)NC(=O)c2ccc3[n-]c(=S)oc3c2)cc1 ZINC000746119724 1132378246 /nfs/dbraw/zinc/37/82/46/1132378246.db2.gz FZYYBRIZRFNLAO-JTQLQIEISA-N -1 0 328.393 3.616 20 0 EHADRM COc1cc(Nc2c(C)cc(C)cc2S(=O)(=O)[O-])cc(F)c1F ZINC001174585054 1132407584 /nfs/dbraw/zinc/40/75/84/1132407584.db2.gz VIOMZIZSDAZIOD-UHFFFAOYSA-N -1 0 343.351 3.581 20 0 EHADRM Cc1cc(O)ccc1Nc1cccc2cc(S(=O)(=O)[O-])ccc21 ZINC001174564009 1132416705 /nfs/dbraw/zinc/41/67/05/1132416705.db2.gz JOOXLTWVOIKVKM-UHFFFAOYSA-N -1 0 329.377 3.844 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ccccc1OC1CCOCC1 ZINC001174675470 1132432923 /nfs/dbraw/zinc/43/29/23/1132432923.db2.gz LOAIOVYZPQKHGP-UHFFFAOYSA-N -1 0 343.379 3.695 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cc(NC(C)=O)ccc1Cl ZINC001174677523 1132434124 /nfs/dbraw/zinc/43/41/24/1132434124.db2.gz MBXJKEUZRMOEAZ-UHFFFAOYSA-N -1 0 334.759 3.749 20 0 EHADRM COC(=O)c1c(C)c(C)sc1Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001174681761 1132435217 /nfs/dbraw/zinc/43/52/17/1132435217.db2.gz ZWZZYZBSYVSUDT-UHFFFAOYSA-N -1 0 335.381 3.602 20 0 EHADRM COC(=O)c1ccc(Nc2ccc(C(=O)[O-])c(OC)c2)cc1Cl ZINC001174684839 1132436013 /nfs/dbraw/zinc/43/60/13/1132436013.db2.gz IBAPPVWELDDHMO-UHFFFAOYSA-N -1 0 335.743 3.577 20 0 EHADRM COc1cc(Nc2cccc(C(=O)OC(C)C)c2)ccc1C(=O)[O-] ZINC001174687352 1132436937 /nfs/dbraw/zinc/43/69/37/1132436937.db2.gz TZZTWSCONWFVPR-UHFFFAOYSA-N -1 0 329.352 3.702 20 0 EHADRM CCSc1ccccc1C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000746356782 1132495814 /nfs/dbraw/zinc/49/58/14/1132495814.db2.gz JNKXBZROPZAVIN-UHFFFAOYSA-N -1 0 327.405 3.700 20 0 EHADRM COC(=O)c1ccc2cc(Nc3ccc(CC(=O)[O-])cc3)ccc2c1 ZINC001174956517 1132518579 /nfs/dbraw/zinc/51/85/79/1132518579.db2.gz NNXPCRNXUFAQRP-UHFFFAOYSA-N -1 0 335.359 3.997 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1cc(F)cnc1Br ZINC001174980979 1132534028 /nfs/dbraw/zinc/53/40/28/1132534028.db2.gz FBJPWPNHQFZLCX-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM COC(=O)[C@H]1CCc2cc(Nc3cc(C(=O)[O-])ccc3C)ccc21 ZINC001174986540 1132536478 /nfs/dbraw/zinc/53/64/78/1132536478.db2.gz QQAGJXWXXYBXLV-INIZCTEOSA-N -1 0 325.364 3.640 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000738122757 1132543408 /nfs/dbraw/zinc/54/34/08/1132543408.db2.gz FOEIDBHVTSYEBP-KQVVTMDQSA-N -1 0 337.375 3.835 20 0 EHADRM COc1ccc(-n2ncc(C)c2Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001175158322 1132570992 /nfs/dbraw/zinc/57/09/92/1132570992.db2.gz LDRYFZXCVUKPBL-UHFFFAOYSA-N -1 0 341.342 3.770 20 0 EHADRM CCN1Cc2cc(Nc3ccc(C(=O)[O-])c(Cl)c3)ccc2C1=O ZINC001175320149 1132638058 /nfs/dbraw/zinc/63/80/58/1132638058.db2.gz ORNXTZJEMFQYGH-UHFFFAOYSA-N -1 0 330.771 3.758 20 0 EHADRM COc1ccc(Cn2nc(C)cc2Nc2cccc(C(=O)[O-])c2)cc1 ZINC001175328456 1132640351 /nfs/dbraw/zinc/64/03/51/1132640351.db2.gz IJMFUKCGSAMQLU-UHFFFAOYSA-N -1 0 337.379 3.690 20 0 EHADRM CC(C)(C)OC(=O)NCc1cc(Nc2cccc(C(=O)[O-])c2)ccn1 ZINC001175329083 1132640547 /nfs/dbraw/zinc/64/05/47/1132640547.db2.gz SKFSIBIEXJEYNU-UHFFFAOYSA-N -1 0 343.383 3.548 20 0 EHADRM Nc1ccc(F)c(Br)c1Nc1cccc(C(=O)[O-])c1 ZINC001175335039 1132642094 /nfs/dbraw/zinc/64/20/94/1132642094.db2.gz QNAMKJFKKBGQFC-UHFFFAOYSA-N -1 0 325.137 3.612 20 0 EHADRM Cc1cc(NCc2ccsc2Br)cnc1C(=O)[O-] ZINC001169058432 1132645860 /nfs/dbraw/zinc/64/58/60/1132645860.db2.gz GTHOGNQQZATFFC-UHFFFAOYSA-N -1 0 327.203 3.524 20 0 EHADRM COc1cc(Nc2cc(Cl)c(C)cc2S(=O)(=O)[O-])ccc1F ZINC001175399930 1132660104 /nfs/dbraw/zinc/66/01/04/1132660104.db2.gz KCONLIFMBUSCQW-UHFFFAOYSA-N -1 0 345.779 3.786 20 0 EHADRM CCOc1ncc(Nc2ccc([C@H](C(=O)[O-])C(C)(C)C)cc2)cn1 ZINC001175559248 1132710971 /nfs/dbraw/zinc/71/09/71/1132710971.db2.gz UZRUMTJWXZHWSW-OAHLLOKOSA-N -1 0 329.400 3.833 20 0 EHADRM Cc1cscc1Nc1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1 ZINC001175769532 1132761552 /nfs/dbraw/zinc/76/15/52/1132761552.db2.gz QVZRFCJJUSBIDD-UHFFFAOYSA-N -1 0 335.406 3.906 20 0 EHADRM Cc1cccc2nc(-c3ccccc3)nc(NCc3cc(=O)[n-]o3)c12 ZINC001169482184 1132765060 /nfs/dbraw/zinc/76/50/60/1132765060.db2.gz OYCQEALPHULPNQ-UHFFFAOYSA-N -1 0 332.363 3.911 20 0 EHADRM O=c1cc(CNc2nccc3nc(-c4ccccc4Cl)[nH]c32)o[n-]1 ZINC001169482897 1132765136 /nfs/dbraw/zinc/76/51/36/1132765136.db2.gz WYTLPZWYZRJGTL-UHFFFAOYSA-N -1 0 341.758 3.584 20 0 EHADRM CC(C)(Nc1cncc(C(=O)[O-])n1)c1cc(Cl)cc(Cl)c1 ZINC001169463477 1132767339 /nfs/dbraw/zinc/76/73/39/1132767339.db2.gz GRBUWKHNCXLSCW-UHFFFAOYSA-N -1 0 326.183 3.829 20 0 EHADRM O=c1[n-]cnc(Nc2ccc(-c3ccccc3)nc2)c1Br ZINC001175832958 1132770574 /nfs/dbraw/zinc/77/05/74/1132770574.db2.gz HNEQIDKCFVWXFV-UHFFFAOYSA-N -1 0 343.184 3.750 20 0 EHADRM Nc1cc(Cl)c(C(F)(F)F)cc1Nc1cncc(C(=O)[O-])c1 ZINC001175841581 1132772373 /nfs/dbraw/zinc/77/23/73/1132772373.db2.gz MLUJUQILLSVSLM-UHFFFAOYSA-N -1 0 331.681 3.778 20 0 EHADRM Cc1cc(F)cc(Nc2cncc(C(=O)[O-])c2)c1Br ZINC001175846828 1132774441 /nfs/dbraw/zinc/77/44/41/1132774441.db2.gz UAPOWUSQLPIPTK-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM O=S(=O)([O-])c1cccc2cc(Nc3cccc4c3OCC4)ccc21 ZINC001176075299 1132829864 /nfs/dbraw/zinc/82/98/64/1132829864.db2.gz KKEXCLJWUSGXBQ-UHFFFAOYSA-N -1 0 341.388 3.765 20 0 EHADRM Cc1ccc2ccc(F)c(Nc3cccc(S(=O)(=O)[O-])c3)c2n1 ZINC001176114787 1132851122 /nfs/dbraw/zinc/85/11/22/1132851122.db2.gz CZWOGUYIBVPJFS-UHFFFAOYSA-N -1 0 332.356 3.673 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)c1 ZINC000766892196 1132911658 /nfs/dbraw/zinc/91/16/58/1132911658.db2.gz ONGYVKIGTDEUOG-UHFFFAOYSA-N -1 0 349.264 3.911 20 0 EHADRM O=C([O-])CCN(CC1CC1)C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000766919593 1132914611 /nfs/dbraw/zinc/91/46/11/1132914611.db2.gz JDIWRPDUCIKOQB-UHFFFAOYSA-N -1 0 344.238 3.639 20 0 EHADRM CNc1cccc(Br)c1Nc1csc(C(=O)[O-])c1 ZINC001176438927 1132929285 /nfs/dbraw/zinc/92/92/85/1132929285.db2.gz GKPPWJSNRGMFLN-UHFFFAOYSA-N -1 0 327.203 3.994 20 0 EHADRM O=C([O-])c1cc(Nc2cn3c(cccc3Br)n2)cs1 ZINC001176435261 1132928093 /nfs/dbraw/zinc/92/80/93/1132928093.db2.gz ARVOPGFTZCFUGE-UHFFFAOYSA-N -1 0 338.186 3.600 20 0 EHADRM COC(=O)c1sc2ccncc2c1Nc1csc(C(=O)[O-])c1 ZINC001176435946 1132928777 /nfs/dbraw/zinc/92/87/77/1132928777.db2.gz HAZYXRZFHUJSAS-UHFFFAOYSA-N -1 0 334.378 3.586 20 0 EHADRM O=C([O-])c1cc(Nc2cn3cc(C(F)(F)F)ccc3n2)cs1 ZINC001176437394 1132929004 /nfs/dbraw/zinc/92/90/04/1132929004.db2.gz XZQKTUDNZPJACM-UHFFFAOYSA-N -1 0 327.287 3.856 20 0 EHADRM COc1ccccc1-n1nc(C)cc1Nc1csc(C(=O)[O-])c1 ZINC001176437052 1132929149 /nfs/dbraw/zinc/92/91/49/1132929149.db2.gz SKYCBGRJJVGTFF-UHFFFAOYSA-N -1 0 329.381 3.693 20 0 EHADRM O=C([O-])c1cc(Nc2ccccc2C(=O)Nc2cccnc2)cs1 ZINC001176439276 1132929984 /nfs/dbraw/zinc/92/99/84/1132929984.db2.gz NIZDDCKDUBNRQJ-UHFFFAOYSA-N -1 0 339.376 3.837 20 0 EHADRM CN(c1csc(C(=O)[O-])c1)c1c(N)cccc1Br ZINC001176441904 1132930808 /nfs/dbraw/zinc/93/08/08/1132930808.db2.gz XVDRAAUWFNPPHJ-UHFFFAOYSA-N -1 0 327.203 3.559 20 0 EHADRM O=C([O-])CN(C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)C1CCCCC1 ZINC000767026202 1132935946 /nfs/dbraw/zinc/93/59/46/1132935946.db2.gz WBKAVMJUTOHAMQ-HZPDHXFCSA-N -1 0 335.831 3.689 20 0 EHADRM COC(=O)c1ccc(Cl)c(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1 ZINC001176586750 1132960795 /nfs/dbraw/zinc/96/07/95/1132960795.db2.gz KYGZUWPIEMBDQY-UHFFFAOYSA-N -1 0 345.782 3.986 20 0 EHADRM Cc1cc(C(=O)N(C)C)ccc1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176588956 1132961871 /nfs/dbraw/zinc/96/18/71/1132961871.db2.gz RQWSILZNDUPZNU-UHFFFAOYSA-N -1 0 338.407 3.557 20 0 EHADRM Cc1ccnc(Br)c1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176588365 1132961921 /nfs/dbraw/zinc/96/19/21/1132961921.db2.gz FCOHPLOEJHZOBQ-QPJJXVBHSA-N -1 0 333.185 3.994 20 0 EHADRM COC(=O)c1c(Cl)cccc1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176590710 1132962236 /nfs/dbraw/zinc/96/22/36/1132962236.db2.gz RPMFYBYRSLLNEB-UHFFFAOYSA-N -1 0 345.782 3.986 20 0 EHADRM COC(=O)c1c(C)c(Nc2ccc(C3(C(=O)[O-])CC3)cc2)ccc1F ZINC001176590439 1132962658 /nfs/dbraw/zinc/96/26/58/1132962658.db2.gz PETPSASLWWYQGF-UHFFFAOYSA-N -1 0 343.354 3.781 20 0 EHADRM Cc1cc(Nc2ccc(/C=C/C(=O)[O-])cc2)cnc1Br ZINC001176592160 1132963209 /nfs/dbraw/zinc/96/32/09/1132963209.db2.gz VMOGIBDOZZYNEM-QPJJXVBHSA-N -1 0 333.185 3.994 20 0 EHADRM CCOC(=O)c1ccc(F)c(Nc2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC001176594988 1132963457 /nfs/dbraw/zinc/96/34/57/1132963457.db2.gz DIMRLBOGRXRYIY-BJMVGYQFSA-N -1 0 329.327 3.844 20 0 EHADRM COC(=O)c1cc(F)c(C)c(Nc2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC001176596665 1132964240 /nfs/dbraw/zinc/96/42/40/1132964240.db2.gz HXVBIXZRASBCAW-VMPITWQZSA-N -1 0 329.327 3.762 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C[C@@H]2CCCc3ccccc32)cc1F ZINC000767202392 1132966366 /nfs/dbraw/zinc/96/63/66/1132966366.db2.gz XUGYQJXGHRGGOX-ZDUSSCGKSA-N -1 0 327.355 3.973 20 0 EHADRM COc1ccc(O)cc1Nc1ccc2c(cccc2S(=O)(=O)[O-])c1 ZINC001176579856 1132971425 /nfs/dbraw/zinc/97/14/25/1132971425.db2.gz BVFATZLSQTXHAL-UHFFFAOYSA-N -1 0 345.376 3.544 20 0 EHADRM O=C([O-])c1ccc(Nc2c(F)cccc2OC2CCOCC2)cc1 ZINC001176713354 1132995029 /nfs/dbraw/zinc/99/50/29/1132995029.db2.gz FNUKCECKEXKOAG-UHFFFAOYSA-N -1 0 331.343 3.825 20 0 EHADRM Nc1cccc(F)c1N(c1ccc(C(=O)[O-])cc1)[C@H]1CC[C@H](O)CC1 ZINC001176713744 1132995244 /nfs/dbraw/zinc/99/52/44/1132995244.db2.gz OIILWIIOGLRGMD-SHTZXODSSA-N -1 0 344.386 3.548 20 0 EHADRM Cn1nc(Br)c2cccc(Nc3ccc(C(=O)[O-])cc3)c21 ZINC001176712695 1132995272 /nfs/dbraw/zinc/99/52/72/1132995272.db2.gz POCZZJQZZCLHAO-UHFFFAOYSA-N -1 0 346.184 3.778 20 0 EHADRM O=C(CCC(=O)c1cccc(F)c1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000767720339 1133042438 /nfs/dbraw/zinc/04/24/38/1133042438.db2.gz DYLBTULBTOEELR-UHFFFAOYSA-N -1 0 344.367 3.857 20 0 EHADRM CC(C)(C)Oc1cccc(CO[N-]C(=O)C(C)(C)c2ccccc2)n1 ZINC000768300203 1133122540 /nfs/dbraw/zinc/12/25/40/1133122540.db2.gz QQKCKDYHCUQRDS-UHFFFAOYSA-N -1 0 342.439 3.785 20 0 EHADRM CC(C)c1ccc(C(=O)N=[S@@](C)(=O)c2ccc(F)cc2)c([O-])c1 ZINC001178480515 1133172482 /nfs/dbraw/zinc/17/24/82/1133172482.db2.gz IQWZCGQXDSYSHQ-QHCPKHFHSA-N -1 0 335.400 3.952 20 0 EHADRM COc1ccc(F)cc1[N-]S(=O)(=O)/C=C/c1cccc(Cl)c1 ZINC000768890393 1133197038 /nfs/dbraw/zinc/19/70/38/1133197038.db2.gz VCBOKWNJXYNEEB-BQYQJAHWSA-N -1 0 341.791 3.900 20 0 EHADRM CC[C@H](Nc1ccccc1)C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000769243047 1133249463 /nfs/dbraw/zinc/24/94/63/1133249463.db2.gz FRTVRUXZEYUVMN-ZDUSSCGKSA-N -1 0 327.409 3.946 20 0 EHADRM O=C(COC/C=C\c1ccccc1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000769249123 1133251080 /nfs/dbraw/zinc/25/10/80/1133251080.db2.gz SMPFWKLTAITWSA-DAXSKMNVSA-N -1 0 340.404 3.785 20 0 EHADRM CON(C(=O)c1c([O-])cc(F)cc1F)[C@H]1CCCOc2ccccc21 ZINC000769404432 1133278269 /nfs/dbraw/zinc/27/82/69/1133278269.db2.gz VHEUOHCSQYIONK-AWEZNQCLSA-N -1 0 349.333 3.588 20 0 EHADRM CC[C@H]([N-]C(=O)C(F)(F)C(F)(F)Cl)c1ccccc1OC ZINC001179781849 1133278966 /nfs/dbraw/zinc/27/89/66/1133278966.db2.gz SHPMIQWAFXSABA-VIFPVBQESA-N -1 0 327.705 3.729 20 0 EHADRM CCCCCCOc1ccc(C(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000769529941 1133309805 /nfs/dbraw/zinc/30/98/05/1133309805.db2.gz CEPKDANMYPYOAN-MRXNPFEDSA-N -1 0 347.455 3.973 20 0 EHADRM O=C(Nc1cc2c(cc1Cl)OCO2)c1c([O-])cccc1Cl ZINC000769638743 1133319542 /nfs/dbraw/zinc/31/95/42/1133319542.db2.gz SQTKJJITCWLMJF-UHFFFAOYSA-N -1 0 326.135 3.680 20 0 EHADRM CCn1cnnc1-c1ccccc1NC(=O)c1c([O-])cccc1Cl ZINC000769701808 1133332366 /nfs/dbraw/zinc/33/23/66/1133332366.db2.gz QCDWJJCUSJMCQS-UHFFFAOYSA-N -1 0 342.786 3.576 20 0 EHADRM CCOC(=O)c1cccc(N(CC)C(=O)c2c([O-])cccc2Cl)c1 ZINC000769712597 1133333946 /nfs/dbraw/zinc/33/39/46/1133333946.db2.gz FLIVRACQXWVFFH-UHFFFAOYSA-N -1 0 347.798 3.889 20 0 EHADRM CCC(=CC(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1C)CC ZINC000769773982 1133339877 /nfs/dbraw/zinc/33/98/77/1133339877.db2.gz JEPWSVBFJWOEQN-UHFFFAOYSA-N -1 0 349.374 3.565 20 0 EHADRM CCN(CC)c1ccc(NC(=O)C2(C(=O)[O-])CCCCC2)c(C)c1 ZINC001180436271 1133369493 /nfs/dbraw/zinc/36/94/93/1133369493.db2.gz CLIZYPHAJAVTKF-UHFFFAOYSA-N -1 0 332.444 3.815 20 0 EHADRM COc1ccc(N(C)C(=O)c2c([O-])cccc2Cl)cc1Cl ZINC000769981900 1133372000 /nfs/dbraw/zinc/37/20/00/1133372000.db2.gz AJTDWPIUDBVPGJ-UHFFFAOYSA-N -1 0 326.179 3.984 20 0 EHADRM Cc1ccc2[nH]cc(CCNC(=O)c3cccc(Cl)c3[O-])c2c1 ZINC001180616975 1133394875 /nfs/dbraw/zinc/39/48/75/1133394875.db2.gz LQTOJKZWGPGBOG-UHFFFAOYSA-N -1 0 328.799 3.808 20 0 EHADRM CCC[C@@](C)(NC(=O)c1n[n-]c2ccccc2c1=O)c1ccccc1 ZINC001180680780 1133406315 /nfs/dbraw/zinc/40/63/15/1133406315.db2.gz AKMOYRYAASBLME-HXUWFJFHSA-N -1 0 335.407 3.781 20 0 EHADRM CC(C)(C)[C@@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC001181413486 1133483112 /nfs/dbraw/zinc/48/31/12/1133483112.db2.gz PAQMLJXMGWSATP-ZDUSSCGKSA-N -1 0 346.254 3.976 20 0 EHADRM O=C(Cc1cccnc1Cl)Nc1cc(Cl)cc(Cl)c1[O-] ZINC001151055093 1133515460 /nfs/dbraw/zinc/51/54/60/1133515460.db2.gz OKUWBTAVRTXRBJ-UHFFFAOYSA-N -1 0 331.586 3.929 20 0 EHADRM O=C(Nc1cc(=O)[n-]c(Cl)n1)C1c2ccccc2-c2ccccc21 ZINC001181909978 1133550039 /nfs/dbraw/zinc/55/00/39/1133550039.db2.gz IEHOFGKVQFSGQQ-UHFFFAOYSA-N -1 0 337.766 3.587 20 0 EHADRM O=C(Cc1ccc([S-])cc1)Nc1cc(-c2ccncn2)cs1 ZINC001183186067 1133777100 /nfs/dbraw/zinc/77/71/00/1133777100.db2.gz ATTNVUCRKHLPLV-UHFFFAOYSA-N -1 0 327.434 3.675 20 0 EHADRM O=C(Cc1ccc([S-])cc1)Nc1cc(-c2ccccc2O)no1 ZINC001183186269 1133777111 /nfs/dbraw/zinc/77/71/11/1133777111.db2.gz LBAICMVGVPYYLB-UHFFFAOYSA-N -1 0 326.377 3.517 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)c1C ZINC000774622243 1133797429 /nfs/dbraw/zinc/79/74/29/1133797429.db2.gz GTDLNDACDXHUAK-UHFFFAOYSA-N -1 0 342.873 3.875 20 0 EHADRM CC(C)(C)OC(=O)N[C@H](CC(=O)Nc1ccccc1[S-])C1CC1 ZINC001183681558 1133840677 /nfs/dbraw/zinc/84/06/77/1133840677.db2.gz GITLTLNOFFPLLI-CYBMUJFWSA-N -1 0 336.457 3.607 20 0 EHADRM O=S1(=O)Cc2cc(-c3cc(Cl)c([O-])c(Cl)c3)ccc2N1 ZINC001242852618 1133843956 /nfs/dbraw/zinc/84/39/56/1133843956.db2.gz SOVLKXZZPIUUFY-UHFFFAOYSA-N -1 0 330.192 3.621 20 0 EHADRM CCCCCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccccc1CC ZINC000786657706 1133881851 /nfs/dbraw/zinc/88/18/51/1133881851.db2.gz KRCLDKVDAXUKFL-UHFFFAOYSA-N -1 0 325.474 3.660 20 0 EHADRM C[C@@H]1c2ccccc2OCCN1C(=O)c1cc(F)cc(Cl)c1[O-] ZINC001184041911 1133889946 /nfs/dbraw/zinc/88/99/46/1133889946.db2.gz UXQDYRLTVBVJQI-SNVBAGLBSA-N -1 0 335.762 3.781 20 0 EHADRM O=C(NCCc1ccccc1)Nc1ccc2[n-]c(=S)sc2c1 ZINC001184939969 1134003000 /nfs/dbraw/zinc/00/30/00/1134003000.db2.gz URTBRHCZERHYPC-UHFFFAOYSA-N -1 0 329.450 3.949 20 0 EHADRM O=S(=O)([N-]c1cccc2ccoc21)c1ccc(-c2cnco2)cc1 ZINC001185228553 1134054054 /nfs/dbraw/zinc/05/40/54/1134054054.db2.gz BQNGTDBLZDQRDK-UHFFFAOYSA-N -1 0 340.360 3.889 20 0 EHADRM CC(C)(C)OC(=O)c1ccsc1[N-]S(=O)(=O)c1ccsc1 ZINC001185350746 1134070396 /nfs/dbraw/zinc/07/03/96/1134070396.db2.gz KKBFRGWIFUBAEH-UHFFFAOYSA-N -1 0 345.467 3.566 20 0 EHADRM Cn1c2ccccc2nc1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185425768 1134083955 /nfs/dbraw/zinc/08/39/55/1134083955.db2.gz FNQOXEDGAKCLBQ-UHFFFAOYSA-N -1 0 343.433 3.589 20 0 EHADRM CN(CCC(=O)c1ccccc1)C(=O)C=C([O-])c1ccccc1Cl ZINC001185429569 1134084600 /nfs/dbraw/zinc/08/46/00/1134084600.db2.gz UXUMKDZGWIEBCP-UHFFFAOYSA-N -1 0 343.810 3.644 20 0 EHADRM O=C(C=C([O-])c1ccccc1Cl)NCc1cc(F)c(F)c(F)c1 ZINC001185436542 1134085997 /nfs/dbraw/zinc/08/59/97/1134085997.db2.gz QINPMNCILOJNGE-UHFFFAOYSA-N -1 0 341.716 3.647 20 0 EHADRM O=C(C=C([O-])c1ccccc1Cl)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001185435031 1134086355 /nfs/dbraw/zinc/08/63/55/1134086355.db2.gz DLQDPKAOSOGQNK-GOEBONIOSA-N -1 0 331.774 3.724 20 0 EHADRM CC(=O)c1cccc([N-]S(=O)(=O)c2cc3ccccc3s2)c1 ZINC001185454853 1134089925 /nfs/dbraw/zinc/08/99/25/1134089925.db2.gz SGCLUTOLDIBPSP-UHFFFAOYSA-N -1 0 331.418 3.905 20 0 EHADRM O=C(Nc1nccc2ccncc21)c1c([O-])cc(Cl)cc1Cl ZINC000788164425 1134090905 /nfs/dbraw/zinc/09/09/05/1134090905.db2.gz AYIMBGWUIROISL-UHFFFAOYSA-N -1 0 334.162 3.895 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)OCC2)c1cc2ccccc2s1 ZINC001185462722 1134091953 /nfs/dbraw/zinc/09/19/53/1134091953.db2.gz LAFMYOSAOIHEAZ-UHFFFAOYSA-N -1 0 331.418 3.637 20 0 EHADRM CC(=O)c1cccc([N-]S(=O)(=O)c2cc3ccccc3s2)c1O ZINC001185462998 1134092058 /nfs/dbraw/zinc/09/20/58/1134092058.db2.gz SWPKJPQNHFWYSB-UHFFFAOYSA-N -1 0 347.417 3.610 20 0 EHADRM COCc1cccc([N-]S(=O)(=O)c2cc3ccccc3s2)c1 ZINC001185463363 1134092805 /nfs/dbraw/zinc/09/28/05/1134092805.db2.gz XJCUIQSYGFQYSR-UHFFFAOYSA-N -1 0 333.434 3.849 20 0 EHADRM O=S(=O)([N-]c1cccc2snnc21)c1cc2ccccc2s1 ZINC001185463810 1134092857 /nfs/dbraw/zinc/09/28/57/1134092857.db2.gz FRLUESUXAJCTFU-UHFFFAOYSA-N -1 0 347.446 3.707 20 0 EHADRM O=S(=O)([N-]c1cc(F)cc(F)c1O)c1cc2ccccc2s1 ZINC001185464323 1134093135 /nfs/dbraw/zinc/09/31/35/1134093135.db2.gz SRRFIBINNLZFKP-UHFFFAOYSA-N -1 0 341.360 3.686 20 0 EHADRM COc1cc2c(cc1NC(=O)NC(C)(C)C(=O)[O-])oc1ccccc12 ZINC000788320182 1134113742 /nfs/dbraw/zinc/11/37/42/1134113742.db2.gz NERXGSDYRLGAPW-UHFFFAOYSA-N -1 0 342.351 3.579 20 0 EHADRM CCCCC[C@H](NC(=O)Nc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000788320776 1134113755 /nfs/dbraw/zinc/11/37/55/1134113755.db2.gz FUVYQGDUARGDKB-LBPRGKRZSA-N -1 0 332.322 3.860 20 0 EHADRM Cc1cc2ccccc2cc1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC001185686651 1134120104 /nfs/dbraw/zinc/12/01/04/1134120104.db2.gz AVODXPWBYNRBGW-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1cc(NC(=O)c2cccc([S-])c2)n(C(=O)OC(C)(C)C)n1 ZINC001186131556 1134173047 /nfs/dbraw/zinc/17/30/47/1134173047.db2.gz JXEOKSTXXUZHIF-UHFFFAOYSA-N -1 0 333.413 3.516 20 0 EHADRM COc1ccc(-c2ccccn2)nc1NC(=O)c1cccc([S-])c1 ZINC001186131561 1134173336 /nfs/dbraw/zinc/17/33/36/1134173336.db2.gz KRRWVLJUMUGXRK-UHFFFAOYSA-N -1 0 337.404 3.693 20 0 EHADRM COC(=O)C[C@H](C)N(Cc1ccccc1)C(=O)c1cccc([S-])c1 ZINC001186149692 1134175308 /nfs/dbraw/zinc/17/53/08/1134175308.db2.gz SCMMVGKUICMDAG-AWEZNQCLSA-N -1 0 343.448 3.569 20 0 EHADRM CC(C)c1nnc([N-]S(=O)(=O)/C=C\c2ccc(Cl)cc2)s1 ZINC000752197772 1134182051 /nfs/dbraw/zinc/18/20/51/1134182051.db2.gz ZSMKFTTWTMVTQM-FPLPWBNLSA-N -1 0 343.861 3.728 20 0 EHADRM CC(C)(Oc1ccc([C@@H]2CCCc3ccccc32)cc1)C(=O)[N-]C#N ZINC001186398414 1134208146 /nfs/dbraw/zinc/20/81/46/1134208146.db2.gz WDJMADGDIUEPSG-IBGZPJMESA-N -1 0 334.419 3.909 20 0 EHADRM Cc1nc2ccccn2c1[N-]S(=O)(=O)c1csc2ccccc21 ZINC001186455719 1134215303 /nfs/dbraw/zinc/21/53/03/1134215303.db2.gz ZQVRPYDJHWNOSH-UHFFFAOYSA-N -1 0 343.433 3.658 20 0 EHADRM O=S(=O)(N[C@H]1[CH]CC=C1)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC001186627867 1134237810 /nfs/dbraw/zinc/23/78/10/1134237810.db2.gz GNVMQXGEBYDCOJ-MRXNPFEDSA-N -1 0 332.832 3.818 20 0 EHADRM Cc1c(F)cccc1[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187173470 1134310871 /nfs/dbraw/zinc/31/08/71/1134310871.db2.gz CZUVIDMEUIETIM-UHFFFAOYSA-N -1 0 325.430 3.875 20 0 EHADRM Cc1cc(F)c(NS(=O)(=O)c2cc3c(s2)CCCC3)cc1O ZINC001187215203 1134315860 /nfs/dbraw/zinc/31/58/60/1134315860.db2.gz KVHKTOULGCWNOB-UHFFFAOYSA-N -1 0 341.429 3.581 20 0 EHADRM CC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187218207 1134316696 /nfs/dbraw/zinc/31/66/96/1134316696.db2.gz IVNPTMMVWQDUJM-UHFFFAOYSA-N -1 0 349.477 3.939 20 0 EHADRM Cc1oncc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)c(Cl)c1 ZINC001187376460 1134329754 /nfs/dbraw/zinc/32/97/54/1134329754.db2.gz OBNDTEHEKLHWNI-UHFFFAOYSA-N -1 0 341.603 3.744 20 0 EHADRM CCc1ccc(C(=O)[O-])cc1NCc1cc(OC)c(OC)cc1C ZINC000789901922 1134347693 /nfs/dbraw/zinc/34/76/93/1134347693.db2.gz HUHYCOGIDOXAPW-UHFFFAOYSA-N -1 0 329.396 3.885 20 0 EHADRM O=S(=O)([N-]c1cccc(Cl)c1C(F)(F)F)c1nccs1 ZINC001187900557 1134394473 /nfs/dbraw/zinc/39/44/73/1134394473.db2.gz TXNKOWDBEYZNQW-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)ccc1C ZINC001187961277 1134405898 /nfs/dbraw/zinc/40/58/98/1134405898.db2.gz UMLIFEAHMRYSAM-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2nccc3ccncc32)c1 ZINC000790643408 1134449998 /nfs/dbraw/zinc/44/99/98/1134449998.db2.gz IQCAQAQSZBKBKX-UHFFFAOYSA-N -1 0 327.409 3.554 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000746938240 1134450346 /nfs/dbraw/zinc/45/03/46/1134450346.db2.gz JWKISRFPJGYVFI-HNNXBMFYSA-N -1 0 345.361 3.991 20 0 EHADRM Cc1noc([N-]S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)c1C ZINC001188420610 1134460629 /nfs/dbraw/zinc/46/06/29/1134460629.db2.gz YPYYVVSINZBKDA-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM Cc1coc([N-]S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)n1 ZINC001188424585 1134461515 /nfs/dbraw/zinc/46/15/15/1134461515.db2.gz UPKOYBVUZAORCM-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM CCOC(=O)c1cccc(NC(=O)Nc2ccc([S-])c(OC)c2)c1 ZINC001188673573 1134498138 /nfs/dbraw/zinc/49/81/38/1134498138.db2.gz GTJLOUZLAWKCTF-UHFFFAOYSA-N -1 0 346.408 3.805 20 0 EHADRM CCc1ccc([C@H]2CN(C(=O)c3cccc(Cl)c3[O-])CCO2)cc1 ZINC000791123089 1134506366 /nfs/dbraw/zinc/50/63/66/1134506366.db2.gz KUJRXXXMYBSUPW-QGZVFWFLSA-N -1 0 345.826 3.822 20 0 EHADRM O=C(COC(=O)c1c(F)cc([O-])cc1F)c1ccc2ccccc2c1 ZINC000746986892 1134516065 /nfs/dbraw/zinc/51/60/65/1134516065.db2.gz QTSFSZMYNOZBQD-UHFFFAOYSA-N -1 0 342.297 3.863 20 0 EHADRM O=S(=O)(Nc1cccc(F)c1)c1ccc(Oc2cccnc2)cc1 ZINC001188847460 1134516985 /nfs/dbraw/zinc/51/69/85/1134516985.db2.gz UHWWEPKKMIIZON-UHFFFAOYSA-N -1 0 344.367 3.814 20 0 EHADRM O=C(OCc1cccc(Br)c1)c1c(F)cc([O-])cc1F ZINC000746984629 1134517254 /nfs/dbraw/zinc/51/72/54/1134517254.db2.gz GINGRCZIQHASNJ-UHFFFAOYSA-N -1 0 343.123 3.790 20 0 EHADRM O=S(=O)(CCc1ccc(Cl)cc1)[N-]c1cc(C2CCC2)no1 ZINC001189068166 1134539639 /nfs/dbraw/zinc/53/96/39/1134539639.db2.gz XPYNVUKGEDSXLG-UHFFFAOYSA-N -1 0 340.832 3.580 20 0 EHADRM CCCCCc1ccc(C(=O)Nc2ncc(C(=O)OCC)[n-]2)cc1 ZINC001189183223 1134549403 /nfs/dbraw/zinc/54/94/03/1134549403.db2.gz DCOSUPYMKAJUCO-UHFFFAOYSA-N -1 0 329.400 3.571 20 0 EHADRM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(F)c3ccccc32)n1 ZINC001189356638 1134579949 /nfs/dbraw/zinc/57/99/49/1134579949.db2.gz RFYPRMVRDAQIHP-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM Cc1ccc2cccnc2c1[N-]S(=O)(=O)Cc1cccc(F)c1F ZINC001189453744 1134589173 /nfs/dbraw/zinc/58/91/73/1134589173.db2.gz ARNCBNBMCGLMDZ-UHFFFAOYSA-N -1 0 348.374 3.763 20 0 EHADRM Cc1ccc2cccnc2c1[N-]S(=O)(=O)Cc1cc(F)ccc1F ZINC001189686575 1134611531 /nfs/dbraw/zinc/61/15/31/1134611531.db2.gz JPDIPCZWQKKSLE-UHFFFAOYSA-N -1 0 348.374 3.763 20 0 EHADRM COc1c(Cl)cccc1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC001189780551 1134626681 /nfs/dbraw/zinc/62/66/81/1134626681.db2.gz NEQSMSSIGJEBRS-UHFFFAOYSA-N -1 0 347.770 3.569 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@@H](C)CCC(C)(C)C)c(F)c1 ZINC000792074283 1134647406 /nfs/dbraw/zinc/64/74/06/1134647406.db2.gz AGFXLBOJUAJJET-ZDUSSCGKSA-N -1 0 343.464 3.543 20 0 EHADRM CCc1nc(C(=O)Nc2ccc(F)c(Br)c2[O-])cs1 ZINC001190042447 1134651166 /nfs/dbraw/zinc/65/11/66/1134651166.db2.gz MASWDMPQJUDQND-UHFFFAOYSA-N -1 0 345.193 3.565 20 0 EHADRM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1ncc(F)cc1F ZINC001190182814 1134669031 /nfs/dbraw/zinc/66/90/31/1134669031.db2.gz ITSJVGZMVLIHJZ-UHFFFAOYSA-N -1 0 340.395 3.594 20 0 EHADRM CC[C@H](NS(=O)(=O)c1cc(F)cc(F)c1F)c1ccc(C)cc1 ZINC001190401555 1134691870 /nfs/dbraw/zinc/69/18/70/1134691870.db2.gz KDEAZJUFZAXPAG-AWEZNQCLSA-N -1 0 343.370 3.842 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)Nc2cc[nH+]c(N(C)C)c2)cc1 ZINC001190431312 1134699305 /nfs/dbraw/zinc/69/93/05/1134699305.db2.gz ILBNMAFANHHZMV-UHFFFAOYSA-N -1 0 347.484 3.636 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc3ccccn3n2)cc1 ZINC001190430672 1134699434 /nfs/dbraw/zinc/69/94/34/1134699434.db2.gz CVNHAZMNEUYCNC-UHFFFAOYSA-N -1 0 343.452 3.823 20 0 EHADRM COc1nc(C)ccc1C(=O)Nc1c(Cl)ccc([O-])c1Cl ZINC001190809915 1134748830 /nfs/dbraw/zinc/74/88/30/1134748830.db2.gz LYXJLGGOLFKXIA-UHFFFAOYSA-N -1 0 327.167 3.663 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(C(F)F)cn2)c1 ZINC001191157617 1134803841 /nfs/dbraw/zinc/80/38/41/1134803841.db2.gz GLZZLXULMFGGPV-UHFFFAOYSA-N -1 0 349.362 3.677 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cccc(C3CC3)n2)c1 ZINC001191157662 1134804631 /nfs/dbraw/zinc/80/46/31/1134804631.db2.gz IYNABNYSEQXLNN-UHFFFAOYSA-N -1 0 339.420 3.616 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)Nc2ccc([S-])cc2)c1 ZINC001191186347 1134822592 /nfs/dbraw/zinc/82/25/92/1134822592.db2.gz SAPOUOFOKIJSDK-UHFFFAOYSA-N -1 0 330.434 3.633 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cccc(O)c2OC)cc1 ZINC001191252538 1134825657 /nfs/dbraw/zinc/82/56/57/1134825657.db2.gz CZVKSRYHNCZMKJ-UHFFFAOYSA-N -1 0 335.425 3.544 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2csc3nccnc23)cc1 ZINC001191232687 1134832491 /nfs/dbraw/zinc/83/24/91/1134832491.db2.gz CQTNMKAZVSXXHE-UHFFFAOYSA-N -1 0 347.465 3.835 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2O)cc1 ZINC001191248424 1134836947 /nfs/dbraw/zinc/83/69/47/1134836947.db2.gz ACLPZRLSNKGWKS-UHFFFAOYSA-N -1 0 335.425 3.544 20 0 EHADRM Cc1[nH]c(=O)sc1C(=O)Nc1cc(Cl)c(C)c(Cl)c1[O-] ZINC001191415133 1134863639 /nfs/dbraw/zinc/86/36/39/1134863639.db2.gz PHWMMAQFWQIXJO-UHFFFAOYSA-N -1 0 333.196 3.730 20 0 EHADRM O=S(=O)([N-][C@@H](C1CCC1)C1CCCC1)c1c(F)cc(F)cc1F ZINC001191719756 1134904636 /nfs/dbraw/zinc/90/46/36/1134904636.db2.gz KGLBPIHFBMHZNA-OAHLLOKOSA-N -1 0 347.402 3.741 20 0 EHADRM COc1ccncc1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1Cl ZINC001191729014 1134905519 /nfs/dbraw/zinc/90/55/19/1134905519.db2.gz SIPAKHLLTAHKFR-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2ccc(F)nc2)c1Cl ZINC001191728793 1134905934 /nfs/dbraw/zinc/90/59/34/1134905934.db2.gz MIXYUPPLDOCUKX-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(Cl)c(C)c2Cl)n1 ZINC001191728379 1134906281 /nfs/dbraw/zinc/90/62/81/1134906281.db2.gz FWPHWBWDGAATOS-UHFFFAOYSA-N -1 0 347.223 3.512 20 0 EHADRM CCCc1ccnc([N-]S(=O)(=O)c2cc(C)ccc2OCC)c1 ZINC001191792300 1134924662 /nfs/dbraw/zinc/92/46/62/1134924662.db2.gz KHLDSUZQUCUMQN-UHFFFAOYSA-N -1 0 334.441 3.542 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)N=NC2 ZINC001191833415 1134932400 /nfs/dbraw/zinc/93/24/00/1134932400.db2.gz CCRBEFUQJPHMCV-UHFFFAOYSA-N -1 0 331.397 3.792 20 0 EHADRM Cc1cc(Cl)ncc1S(=O)(=O)Nc1ccc(-n2cccc2)cc1 ZINC001192308081 1134996070 /nfs/dbraw/zinc/99/60/70/1134996070.db2.gz FWNOUXKYXGFFQT-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1cncc(C(C)(C)C)c1 ZINC001192321764 1134997827 /nfs/dbraw/zinc/99/78/27/1134997827.db2.gz CKZLMMZYDSWZIZ-UHFFFAOYSA-N -1 0 339.848 3.537 20 0 EHADRM C[C@@H]1CCC[C@H](OCC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)C1 ZINC000747150677 1134998569 /nfs/dbraw/zinc/99/85/69/1134998569.db2.gz WXTXEZOKFUTDJG-DOMZBBRYSA-N -1 0 345.361 3.849 20 0 EHADRM Cc1cc(Cl)ncc1S(=O)(=O)Nc1ccc(F)cc1Cl ZINC001192354909 1135004129 /nfs/dbraw/zinc/00/41/29/1135004129.db2.gz CSSZUTXVGZBFMO-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM COC(=O)c1ccc([O-])c(C(=O)Nc2cccc3c(C)c(C)[nH]c32)c1 ZINC001192394076 1135014053 /nfs/dbraw/zinc/01/40/53/1135014053.db2.gz CMAKGJXOUNUZER-UHFFFAOYSA-N -1 0 338.363 3.529 20 0 EHADRM CC(C)(C)NC(=O)c1ccccc1Nc1ccc(C(=O)[O-])cc1F ZINC001203293194 1135014647 /nfs/dbraw/zinc/01/46/47/1135014647.db2.gz WHJMLPNZBWVXBL-UHFFFAOYSA-N -1 0 330.359 3.796 20 0 EHADRM COc1cc(C(F)(F)F)ccc1NC(=O)c1c([O-])ccc(F)c1F ZINC001192765500 1135052143 /nfs/dbraw/zinc/05/21/43/1135052143.db2.gz ZOHCPIHLZDVUJH-UHFFFAOYSA-N -1 0 347.239 3.950 20 0 EHADRM Cc1cc(F)ccc1C1CCN(C(=O)c2cccc(F)c2[O-])CC1 ZINC001129426802 1135054879 /nfs/dbraw/zinc/05/48/79/1135054879.db2.gz KINFRFNTGMEHNZ-UHFFFAOYSA-N -1 0 331.362 3.999 20 0 EHADRM Cc1[nH]c2ccc(CNC(=O)c3ccc(F)c(F)c3[O-])cc2c1C ZINC001192811364 1135057845 /nfs/dbraw/zinc/05/78/45/1135057845.db2.gz QIEOEVJLHVIVQQ-UHFFFAOYSA-N -1 0 330.334 3.699 20 0 EHADRM O=C(NCCc1ccc2ccccc2c1)c1ccc(F)c(F)c1[O-] ZINC001192810934 1135058038 /nfs/dbraw/zinc/05/80/38/1135058038.db2.gz MNEALBRCZMVRKS-UHFFFAOYSA-N -1 0 327.330 3.796 20 0 EHADRM Cc1cc(OC(F)F)ccc1NC(=O)c1ccc(F)c(F)c1[O-] ZINC001192810825 1135058501 /nfs/dbraw/zinc/05/85/01/1135058501.db2.gz NFSHXHBNYADPOS-UHFFFAOYSA-N -1 0 329.249 3.833 20 0 EHADRM Cc1ccccc1CC(C)(C)CNC(=O)c1ccc([O-])c(F)c1F ZINC001192848619 1135065138 /nfs/dbraw/zinc/06/51/38/1135065138.db2.gz FJRZIYVJVOLWJC-UHFFFAOYSA-N -1 0 333.378 3.978 20 0 EHADRM CCN(C(=O)c1cc(F)c([O-])cc1F)[C@@H](C)Cc1ccc(OC)cc1 ZINC001192853326 1135066204 /nfs/dbraw/zinc/06/62/04/1135066204.db2.gz PQVOEQFBLMRHFW-LBPRGKRZSA-N -1 0 349.377 3.772 20 0 EHADRM Cc1ccc(NC(=O)c2cc(F)c([O-])cc2F)cc1OC(F)F ZINC001192879781 1135074627 /nfs/dbraw/zinc/07/46/27/1135074627.db2.gz NOSBICUBJQZRFF-UHFFFAOYSA-N -1 0 329.249 3.833 20 0 EHADRM Cc1cnc(Cl)c(NC(=O)c2cc(Cl)nc(Cl)c2[O-])c1 ZINC001193084246 1135097896 /nfs/dbraw/zinc/09/78/96/1135097896.db2.gz RKRXUZSQMZPETN-UHFFFAOYSA-N -1 0 332.574 3.703 20 0 EHADRM C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC000804528979 1135108369 /nfs/dbraw/zinc/10/83/69/1135108369.db2.gz PEDFJOOEFGMBSU-KDOFPFPSSA-N -1 0 347.418 3.949 20 0 EHADRM CC(C)Oc1c(F)c(F)c([N-]c2noc3nccnc23)c(F)c1F ZINC001193335020 1135126577 /nfs/dbraw/zinc/12/65/77/1135126577.db2.gz YSWCQXUKOZCABH-UHFFFAOYSA-N -1 0 342.252 3.705 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccnn2C2CCC2)c2ccccc12 ZINC001193834687 1135190859 /nfs/dbraw/zinc/19/08/59/1135190859.db2.gz UKFXITZJHZEPKM-UHFFFAOYSA-N -1 0 341.436 3.871 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nc(F)ccc2F)c2ccccc12 ZINC001193834625 1135191116 /nfs/dbraw/zinc/19/11/16/1135191116.db2.gz RXRHBLAPUJLQOZ-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM Cc1c2cc(F)ccc2oc1S(=O)(=O)NC[C@]1(C)CC1(C)C ZINC001194234429 1135243684 /nfs/dbraw/zinc/24/36/84/1135243684.db2.gz VCCLBFXJAIMZCL-INIZCTEOSA-N -1 0 325.405 3.595 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cn1)c1ccc2c(Cl)cccc2c1 ZINC001194215812 1135245430 /nfs/dbraw/zinc/24/54/30/1135245430.db2.gz OZDVJBFHPPIYNJ-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM O=S(=O)([N-]c1ccnc(F)c1)c1ccc2c(Cl)cccc2c1 ZINC001194218073 1135245878 /nfs/dbraw/zinc/24/58/78/1135245878.db2.gz WTYPGXGSDQWCAP-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)NC1CCC(C)(C)CC1 ZINC001194277891 1135248006 /nfs/dbraw/zinc/24/80/06/1135248006.db2.gz UCIHSSBWAVXPEN-UHFFFAOYSA-N -1 0 327.428 3.585 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cccc(Cn2ccnc2)c1 ZINC000805258214 1135253466 /nfs/dbraw/zinc/25/34/66/1135253466.db2.gz DHRUTWYVMLPLBZ-UHFFFAOYSA-N -1 0 345.761 3.682 20 0 EHADRM O=C(COc1ccc2c(c1)CCC2)Nc1cc(Cl)c([O-])cc1F ZINC000805260279 1135254509 /nfs/dbraw/zinc/25/45/09/1135254509.db2.gz QFGCHSBRHBEOKX-UHFFFAOYSA-N -1 0 335.762 3.691 20 0 EHADRM C=Cc1ccc([N-]S(=O)(=O)c2ncccc2C(F)(F)F)cc1 ZINC001194562200 1135286019 /nfs/dbraw/zinc/28/60/19/1135286019.db2.gz PCVXLDFVKCPPOB-UHFFFAOYSA-N -1 0 328.315 3.544 20 0 EHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1cccnc1C(F)(F)F ZINC001194609920 1135286627 /nfs/dbraw/zinc/28/66/27/1135286627.db2.gz PTDRMZORTJEBQA-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1cnc(-c2ccccc2)cn1 ZINC001194605370 1135292441 /nfs/dbraw/zinc/29/24/41/1135292441.db2.gz NSDUQIMITSXOGO-UHFFFAOYSA-N -1 0 339.420 3.561 20 0 EHADRM C[Si](C)(C)CCS(=O)(=O)[N-][C@H](c1ccccc1)C(F)(F)F ZINC001195082188 1135366158 /nfs/dbraw/zinc/36/61/58/1135366158.db2.gz CKVYQWRBCKMNSM-GFCCVEGCSA-N -1 0 339.455 3.548 20 0 EHADRM CN(CCOc1ccc(Cl)cc1)C(=O)c1cccc(Cl)c1[O-] ZINC000775642928 1135382017 /nfs/dbraw/zinc/38/20/17/1135382017.db2.gz PGRYPGMLJLOGMX-UHFFFAOYSA-N -1 0 340.206 3.850 20 0 EHADRM CCN(CC)C(=O)c1ccc(NC(=O)c2cccc(Cl)c2[O-])cc1 ZINC000775645148 1135392742 /nfs/dbraw/zinc/39/27/42/1135392742.db2.gz WVFPQSNSYFHXPW-UHFFFAOYSA-N -1 0 346.814 3.780 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccccc1C(C)(C)O ZINC001195308494 1135410955 /nfs/dbraw/zinc/41/09/55/1135410955.db2.gz PIPLPGIEMNUKOX-UHFFFAOYSA-N -1 0 339.844 3.677 20 0 EHADRM CC1(C)CCN(S(=O)(=O)c2ccccc2[O-])C[C@H]1c1ccccc1 ZINC001195417903 1135421130 /nfs/dbraw/zinc/42/11/30/1135421130.db2.gz KPIIYCNYMWOZMQ-INIZCTEOSA-N -1 0 345.464 3.597 20 0 EHADRM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1nccc(Cl)c1Cl ZINC001195459220 1135426635 /nfs/dbraw/zinc/42/66/35/1135426635.db2.gz LINNJMVFOPDIIM-UHFFFAOYSA-N -1 0 349.177 3.532 20 0 EHADRM Cc1ccccc1OCCCN(C)C(=O)c1cccc(Cl)c1[O-] ZINC000775666078 1135443376 /nfs/dbraw/zinc/44/33/76/1135443376.db2.gz SBJJMTRMYNYPFF-UHFFFAOYSA-N -1 0 333.815 3.895 20 0 EHADRM Cc1ccc(-c2cc(C(=O)[N-]c3nc(CC(C)C)ns3)on2)cc1 ZINC001130643777 1135450295 /nfs/dbraw/zinc/45/02/95/1135450295.db2.gz SHBPMCCSNCKIMC-UHFFFAOYSA-N -1 0 342.424 3.952 20 0 EHADRM CSc1ccc(C)c([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)c1 ZINC000775679128 1135503497 /nfs/dbraw/zinc/50/34/97/1135503497.db2.gz NFRZDPUCTDQQBJ-UHFFFAOYSA-N -1 0 342.873 3.875 20 0 EHADRM O=C(NCCCCOCc1ccccc1)c1cccc(Cl)c1[O-] ZINC000775685090 1135509779 /nfs/dbraw/zinc/50/97/79/1135509779.db2.gz ZKTZPMGUOOREHJ-UHFFFAOYSA-N -1 0 333.815 3.772 20 0 EHADRM O=C(c1cccc(F)c1[O-])N1CCCC[C@@H]1Cc1ccccc1F ZINC001130818853 1135514884 /nfs/dbraw/zinc/51/48/84/1135514884.db2.gz WDFMMTQTEJHBGH-CQSZACIVSA-N -1 0 331.362 3.908 20 0 EHADRM Cc1ccc2ccccc2c1[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC001196197719 1135530226 /nfs/dbraw/zinc/53/02/26/1135530226.db2.gz SNNIGUVYHTZICK-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM O=C(Nc1ccc2c(c1)CCCC(=O)N2)c1cccc(Cl)c1[O-] ZINC000775711492 1135548623 /nfs/dbraw/zinc/54/86/23/1135548623.db2.gz BNXPRQFUIBJVBP-UHFFFAOYSA-N -1 0 330.771 3.573 20 0 EHADRM O=C(Nc1ccc2sc(Cl)nc2c1)c1cc(Cl)ncc1[O-] ZINC001196395505 1135554246 /nfs/dbraw/zinc/55/42/46/1135554246.db2.gz GQGSKPYXHNTJGA-UHFFFAOYSA-N -1 0 340.191 3.956 20 0 EHADRM O=C(Nc1ccc(N2CCCC2=O)cc1)c1cc(Cl)c(F)cc1[O-] ZINC001196468465 1135564908 /nfs/dbraw/zinc/56/49/08/1135564908.db2.gz XZDWGOIQTHIIIW-UHFFFAOYSA-N -1 0 348.761 3.564 20 0 EHADRM CC(=O)Nc1cc(Cl)ccc1NC(=O)c1cccc(Cl)c1[O-] ZINC000775726116 1135577350 /nfs/dbraw/zinc/57/73/50/1135577350.db2.gz WKRBBCJNGDCUIB-UHFFFAOYSA-N -1 0 339.178 3.910 20 0 EHADRM CCC(=O)c1ccccc1NS(=O)(=O)c1c(C)cc(OC)cc1C ZINC001196886533 1135621757 /nfs/dbraw/zinc/62/17/57/1135621757.db2.gz VLAHTWHBGRHXCW-UHFFFAOYSA-N -1 0 347.436 3.706 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2ccnc(Cl)c2Cl)cc1 ZINC001197075648 1135647261 /nfs/dbraw/zinc/64/72/61/1135647261.db2.gz ROVOQKUJEJKTGZ-UHFFFAOYSA-N -1 0 342.207 3.896 20 0 EHADRM CC[C@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)c1ncccc1C ZINC001197129433 1135648186 /nfs/dbraw/zinc/64/81/86/1135648186.db2.gz YOZVKPIIMIAJKB-AWEZNQCLSA-N -1 0 329.425 3.526 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2cccc3c2OCCC3)cc1 ZINC001197112602 1135650689 /nfs/dbraw/zinc/65/06/89/1135650689.db2.gz SJHRBPNCRSFHDU-UHFFFAOYSA-N -1 0 328.393 3.519 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NC[C@@H]2CCCc3ccccc32)cc1 ZINC001197148165 1135654160 /nfs/dbraw/zinc/65/41/60/1135654160.db2.gz RKJOWSKHWJCGDM-HNNXBMFYSA-N -1 0 340.448 3.791 20 0 EHADRM CCOc1cncc(C(=O)Nc2ccc3[n-]c(=S)sc3c2)c1 ZINC001197620603 1135709699 /nfs/dbraw/zinc/70/96/99/1135709699.db2.gz WCTCEGDTEJUSEP-UHFFFAOYSA-N -1 0 331.422 3.631 20 0 EHADRM CCC(CC)Oc1ccccc1[N-]S(=O)(=O)Cc1ccccn1 ZINC001197829044 1135744768 /nfs/dbraw/zinc/74/47/68/1135744768.db2.gz DMZMDIFHJARENC-UHFFFAOYSA-N -1 0 334.441 3.591 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(SC(F)(F)F)c2)cn1 ZINC001198313952 1135799087 /nfs/dbraw/zinc/79/90/87/1135799087.db2.gz IEXCXHHYSVDAIE-UHFFFAOYSA-N -1 0 348.371 3.803 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(C)c(Cl)c2O)cn1 ZINC001198318006 1135799739 /nfs/dbraw/zinc/79/97/39/1135799739.db2.gz NUBQRPRBXGPPIR-UHFFFAOYSA-N -1 0 347.223 3.512 20 0 EHADRM O=S(=O)([N-]c1ccc(C2CCC2)nc1)c1ccc2occc2c1 ZINC001198828137 1135857385 /nfs/dbraw/zinc/85/73/85/1135857385.db2.gz CITVVVSYCVKAHM-UHFFFAOYSA-N -1 0 328.393 3.896 20 0 EHADRM CCN(C)c1ccc(NS(=O)(=O)c2ccc3occc3c2)cc1 ZINC001198871087 1135864243 /nfs/dbraw/zinc/86/42/43/1135864243.db2.gz WOLSEEGNWITGJO-UHFFFAOYSA-N -1 0 330.409 3.690 20 0 EHADRM [O-]c1c(Cl)cccc1NC(=S)Nc1ccc2c(c1)OCCO2 ZINC001199700260 1135924596 /nfs/dbraw/zinc/92/45/96/1135924596.db2.gz ZADVCGUHCUVSGX-UHFFFAOYSA-N -1 0 336.800 3.626 20 0 EHADRM C[C@H](C(=O)Nc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1)C(C)(C)C ZINC001132106727 1135931205 /nfs/dbraw/zinc/93/12/05/1135931205.db2.gz DUHWYBZQUJZXNZ-SECBINFHSA-N -1 0 348.340 3.625 20 0 EHADRM Cc1c(Cl)cc(NC(=O)c2ccc3nccn3c2)c([O-])c1Cl ZINC001201281706 1136000325 /nfs/dbraw/zinc/00/03/25/1136000325.db2.gz QYZINAYGRMNTMT-UHFFFAOYSA-N -1 0 336.178 3.907 20 0 EHADRM CCOC(=O)c1ccc(Nc2cc(F)c(C(=O)[O-])c(F)c2)c(F)c1 ZINC001203324797 1136043597 /nfs/dbraw/zinc/04/35/97/1136043597.db2.gz QAJPDTAYOJKNEM-UHFFFAOYSA-N -1 0 339.269 3.722 20 0 EHADRM COc1cc(C)c([N-]S(=O)(=O)c2sc(Cl)nc2C)cc1C ZINC001201763838 1136060971 /nfs/dbraw/zinc/06/09/71/1136060971.db2.gz JRGFLQKKWVUWRG-UHFFFAOYSA-N -1 0 346.861 3.531 20 0 EHADRM COc1nccc(C)c1[N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC001201792107 1136062685 /nfs/dbraw/zinc/06/26/85/1136062685.db2.gz PNWCRDDYJRQTDH-UHFFFAOYSA-N -1 0 348.468 3.742 20 0 EHADRM CCCC[C@@H](C)N(C)S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1 ZINC000811683666 1136121335 /nfs/dbraw/zinc/12/13/35/1136121335.db2.gz VVZRHMHMSBLUJN-LLVKDONJSA-N -1 0 347.864 3.546 20 0 EHADRM Cc1c(Cl)nccc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000811835878 1136142908 /nfs/dbraw/zinc/14/29/08/1136142908.db2.gz RZCHBIZDJIFJQW-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811819441 1136145049 /nfs/dbraw/zinc/14/50/49/1136145049.db2.gz AQDVPQATSUHGOD-INIZCTEOSA-N -1 0 329.783 3.764 20 0 EHADRM Cc1ccc([C@H](C)CNC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000811819175 1136145587 /nfs/dbraw/zinc/14/55/87/1136145587.db2.gz IGZMFEUXIGTFCK-GFCCVEGCSA-N -1 0 331.799 3.880 20 0 EHADRM O=S(=O)(N[C@H]1C[C@@H]1c1c(F)cccc1Cl)c1sccc1F ZINC000338909108 1136145609 /nfs/dbraw/zinc/14/56/09/1136145609.db2.gz XLLOKGLPCGCZSD-CPCISQLKSA-N -1 0 349.811 3.514 20 0 EHADRM O=S(=O)([N-]c1ccc(C2(C(F)(F)F)CC2)cc1)C(F)(F)F ZINC001252268019 1136188700 /nfs/dbraw/zinc/18/87/00/1136188700.db2.gz TXXVXKBNQUCLPS-UHFFFAOYSA-N -1 0 333.253 3.542 20 0 EHADRM CCOC(=O)/C(=C\c1ccc(C(=O)[O-])cc1Cl)c1ccnc(F)c1 ZINC000812247526 1136189299 /nfs/dbraw/zinc/18/92/99/1136189299.db2.gz OYEWWXGTKUXXCD-QPEQYQDCSA-N -1 0 349.745 3.676 20 0 EHADRM COc1ccc2c(c1)C1(CC1)CN(C(=O)c1cccc(Cl)c1[O-])C2 ZINC000812358544 1136198287 /nfs/dbraw/zinc/19/82/87/1136198287.db2.gz SSBYLLGYUIDWCH-UHFFFAOYSA-N -1 0 343.810 3.742 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(Cl)c2)s1 ZINC000109426030 1136294908 /nfs/dbraw/zinc/29/49/08/1136294908.db2.gz IHLLMWLUGNZLOG-UHFFFAOYSA-N -1 0 330.862 3.577 20 0 EHADRM CC(C)c1ccccc1C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1 ZINC000850851688 1136311711 /nfs/dbraw/zinc/31/17/11/1136311711.db2.gz JGFYXCRXFMQXCW-CQSZACIVSA-N -1 0 331.437 3.631 20 0 EHADRM Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1cccc(Cl)c1[O-] ZINC000813522193 1136341745 /nfs/dbraw/zinc/34/17/45/1136341745.db2.gz IFDXVCDIBWDIJO-UHFFFAOYSA-N -1 0 327.771 3.996 20 0 EHADRM CC1(C(=O)O[C@@H]2C[C@H]([N-]C(=O)C(F)(F)F)c3ccccc32)CCC1 ZINC000851176915 1136346912 /nfs/dbraw/zinc/34/69/12/1136346912.db2.gz RQQVLBARNKSPAP-QWHCGFSZSA-N -1 0 341.329 3.584 20 0 EHADRM CC1(C(=O)[N-]S(=O)(=O)c2cc3ccccc3o2)CCCCCC1 ZINC000851247691 1136357597 /nfs/dbraw/zinc/35/75/97/1136357597.db2.gz YDKGNODPZCIVCJ-UHFFFAOYSA-N -1 0 335.425 3.598 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)/C=C/C1CCCCC1 ZINC000814018904 1136386564 /nfs/dbraw/zinc/38/65/64/1136386564.db2.gz RYPLOWAZLTXBEV-TUQDCPSNSA-N -1 0 335.469 3.720 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCc1ccc(C)cc1 ZINC000814016704 1136386659 /nfs/dbraw/zinc/38/66/59/1136386659.db2.gz PGRFCNQPVMWTAM-SFHVURJKSA-N -1 0 345.464 3.525 20 0 EHADRM CC(C)Oc1ccc([C@H](C)NC(=O)c2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC000851594331 1136394893 /nfs/dbraw/zinc/39/48/93/1136394893.db2.gz IINNKUNUWYLFEQ-STRFDMGBSA-N -1 0 343.379 3.656 20 0 EHADRM CCN(C(=O)c1ccc(/C=C/C(=O)[O-])o1)[C@@H](C)c1cccc(OC)c1 ZINC000851594838 1136395073 /nfs/dbraw/zinc/39/50/73/1136395073.db2.gz MERMNLYLGCGRKP-STRFDMGBSA-N -1 0 343.379 3.609 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)c1ccc(/C=C/C(=O)[O-])o1)C1CC1 ZINC000851593648 1136395086 /nfs/dbraw/zinc/39/50/86/1136395086.db2.gz BRIKWQVFNQASKE-CKDFRHGISA-N -1 0 325.364 3.567 20 0 EHADRM Cc1ccccc1[C@H]1CCCN1C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851593664 1136395122 /nfs/dbraw/zinc/39/51/22/1136395122.db2.gz AGQNYVHPJZMBLA-HGPCXVNDSA-N -1 0 325.364 3.663 20 0 EHADRM CCCC[C@](C)(F)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000851598642 1136395368 /nfs/dbraw/zinc/39/53/68/1136395368.db2.gz AJDQOMPAUJWISI-INIZCTEOSA-N -1 0 327.421 3.861 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000851598008 1136395541 /nfs/dbraw/zinc/39/55/41/1136395541.db2.gz IDLJWONXKVRBKD-QHXWSXNTSA-N -1 0 331.412 3.708 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N(Cc2ccco2)C2CCCC2)o1 ZINC000851602754 1136395917 /nfs/dbraw/zinc/39/59/17/1136395917.db2.gz ZPBSXSPBLUXXPW-NTMALXAHSA-N -1 0 329.352 3.555 20 0 EHADRM O=C([O-])CC[C@H](CC1CCCCC1)NC(=O)C1CC2(CC2(F)F)C1 ZINC000851606642 1136396280 /nfs/dbraw/zinc/39/62/80/1136396280.db2.gz RKQMPSQBSMLDKD-XOYHFGRZSA-N -1 0 343.414 3.742 20 0 EHADRM Cc1c(NCC(C)(C)C)cccc1C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC000851705335 1136400669 /nfs/dbraw/zinc/40/06/69/1136400669.db2.gz MNEUXLYRCSWNKT-OAHLLOKOSA-N -1 0 346.471 3.684 20 0 EHADRM CCOC(=O)c1[n-]c(NC(=O)c2ccccc2C(C)C)nc1Cl ZINC001134103054 1136407967 /nfs/dbraw/zinc/40/79/67/1136407967.db2.gz LCYTZEVZBWZQTL-UHFFFAOYSA-N -1 0 335.791 3.616 20 0 EHADRM CCCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cc(C)oc1C ZINC000776567569 1136438182 /nfs/dbraw/zinc/43/81/82/1136438182.db2.gz VZTDEMXALIBAOO-GFCCVEGCSA-N -1 0 329.462 3.698 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)/C=C\c1ccc(Cl)cc1 ZINC000776673092 1136528840 /nfs/dbraw/zinc/52/88/40/1136528840.db2.gz MDGFOEQYLPUDLH-SDMNGIDPSA-N -1 0 343.810 3.994 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCC1CCCC1)c1ccc(F)cc1F ZINC000776662075 1136529785 /nfs/dbraw/zinc/52/97/85/1136529785.db2.gz SNHGFIUIAUCQPX-OAHLLOKOSA-N -1 0 325.355 3.567 20 0 EHADRM FC(F)(F)c1cc(Cl)c(=NOC[C@@H]2CCOC2)[n-]c1Cl ZINC000853525476 1136541037 /nfs/dbraw/zinc/54/10/37/1136541037.db2.gz WPGQWPVLANTMMN-ZCFIWIBFSA-N -1 0 331.121 3.787 20 0 EHADRM CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1ccc(C(C)C)cc1C(C)C ZINC000815713897 1136632229 /nfs/dbraw/zinc/63/22/29/1136632229.db2.gz GUMGETVTLYGKJB-CQSZACIVSA-N -1 0 334.460 3.966 20 0 EHADRM CCC[C@H](C)CC(=O)[N-]S(=O)(=O)[C@@H](c1ccccc1)C(C)C ZINC000816110764 1136677681 /nfs/dbraw/zinc/67/76/81/1136677681.db2.gz ICYWBXKPXNNFFV-WMLDXEAASA-N -1 0 325.474 3.656 20 0 EHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCc2[nH]c3ccccc3c2C1 ZINC000816834142 1136755829 /nfs/dbraw/zinc/75/58/29/1136755829.db2.gz HYOBAFBZTHHTRH-UHFFFAOYSA-N -1 0 349.415 3.796 20 0 EHADRM O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc2oc(=S)[n-]c2c1 ZINC000816965600 1136770011 /nfs/dbraw/zinc/77/00/11/1136770011.db2.gz PDADWMGIIVKVGJ-UHFFFAOYSA-N -1 0 339.298 3.783 20 0 EHADRM COc1cc(NC(=O)c2ccc3[n-]c(=S)oc3c2)cc(OC)c1C ZINC000817141370 1136782205 /nfs/dbraw/zinc/78/22/05/1136782205.db2.gz FNFMQMLNYVTHBB-UHFFFAOYSA-N -1 0 344.392 3.694 20 0 EHADRM CC(C)c1ccc(-c2nc(CC(=O)[N-]OCC3CC3)cs2)cc1 ZINC000817354038 1136797845 /nfs/dbraw/zinc/79/78/45/1136797845.db2.gz GQGMCFHANNDXGP-UHFFFAOYSA-N -1 0 330.453 3.934 20 0 EHADRM Cc1cc(Br)ccc1SCC(=O)[N-]OCCC1CC1 ZINC000817425573 1136809400 /nfs/dbraw/zinc/80/94/00/1136809400.db2.gz HZKUUPUWKXOPMN-UHFFFAOYSA-N -1 0 344.274 3.698 20 0 EHADRM Cc1cc(SC(C)(C)C)ccc1NC(=O)[C@@H](C)O[C@H](C)C(=O)[O-] ZINC000817571622 1136820848 /nfs/dbraw/zinc/82/08/48/1136820848.db2.gz IEDVHCBFRSXTCD-VXGBXAGGSA-N -1 0 339.457 3.702 20 0 EHADRM COCC1(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CCCCC1 ZINC000856922014 1136824433 /nfs/dbraw/zinc/82/44/33/1136824433.db2.gz QGXNCUKWHFBABO-UHFFFAOYSA-N -1 0 325.792 3.574 20 0 EHADRM C/C(=C\C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21)c1cccs1 ZINC000856927628 1136824792 /nfs/dbraw/zinc/82/47/92/1136824792.db2.gz RXOXQWTYVGGWND-TYJHLQBPSA-N -1 0 333.453 3.643 20 0 EHADRM O=C([O-])CN(C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)C1CCC1 ZINC000856971720 1136829274 /nfs/dbraw/zinc/82/92/74/1136829274.db2.gz UGPUTXGUNXQBDQ-UHFFFAOYSA-N -1 0 341.194 3.554 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)ccc1N1CCCCC1 ZINC000817867877 1136842977 /nfs/dbraw/zinc/84/29/77/1136842977.db2.gz AADUJWPJZRAYEH-ZNMIVQPWSA-N -1 0 342.439 3.750 20 0 EHADRM C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)[N-]OC1CCCCC1 ZINC000857492623 1136876673 /nfs/dbraw/zinc/87/66/73/1136876673.db2.gz KZVZIPPYHNGELO-NSHDSACASA-N -1 0 331.334 3.853 20 0 EHADRM C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)[N-]OC1CCCCC1 ZINC000857492622 1136876876 /nfs/dbraw/zinc/87/68/76/1136876876.db2.gz KZVZIPPYHNGELO-LLVKDONJSA-N -1 0 331.334 3.853 20 0 EHADRM CN(Cc1c(F)cccc1F)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000818551774 1136882692 /nfs/dbraw/zinc/88/26/92/1136882692.db2.gz JWQPREYMUMIFGV-UHFFFAOYSA-N -1 0 334.347 3.667 20 0 EHADRM O=C(Nc1ccc([C@@H]2CCOC2)cc1)c1ccc2[n-]c(=S)oc2c1 ZINC000818737485 1136888832 /nfs/dbraw/zinc/88/88/32/1136888832.db2.gz FQAFHIHNSWTAMC-CYBMUJFWSA-N -1 0 340.404 3.873 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)C=C1CCC(C)(C)CC1 ZINC000819628097 1136954068 /nfs/dbraw/zinc/95/40/68/1136954068.db2.gz KRJJPVDKFCLSSH-UHFFFAOYSA-N -1 0 340.427 3.951 20 0 EHADRM O=C(NCCc1c(F)cccc1F)c1cccc(C(F)(F)F)c1[O-] ZINC001136297912 1136972607 /nfs/dbraw/zinc/97/26/07/1136972607.db2.gz RPYNIRDAWCEWDR-UHFFFAOYSA-N -1 0 345.267 3.662 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)N(CC3CC3)CC3CC3)c([O-])c2)o1 ZINC000820035797 1136973960 /nfs/dbraw/zinc/97/39/60/1136973960.db2.gz REUCOGZLXBMFAU-UHFFFAOYSA-N -1 0 339.391 3.727 20 0 EHADRM Cc1cc(F)ccc1[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001324731605 1136983129 /nfs/dbraw/zinc/98/31/29/1136983129.db2.gz QWWBUKOVYCMPPR-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CC[C@@H](C)CO[N-]C(=O)c1cc2ccc(C(F)(F)F)cc2[nH]c1=O ZINC000820280162 1136986852 /nfs/dbraw/zinc/98/68/52/1136986852.db2.gz ZVVFPWJSTUJPJK-SECBINFHSA-N -1 0 342.317 3.667 20 0 EHADRM Cc1cnc(C(=O)Nc2ccc(N(C)Cc3ccccc3)cc2)c([O-])c1 ZINC001136331110 1136988927 /nfs/dbraw/zinc/98/89/27/1136988927.db2.gz JRVQPCYHCLKVCI-UHFFFAOYSA-N -1 0 347.418 3.984 20 0 EHADRM CC(C)[C@]1(CO)CCCN(C(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000820741772 1137004600 /nfs/dbraw/zinc/00/46/00/1137004600.db2.gz VLGHNYJPQONYKL-MRXNPFEDSA-N -1 0 346.254 3.570 20 0 EHADRM CC(C)(c1nnc(NC([O-])=NOCC2CCC2)s1)c1ccccc1 ZINC000820950621 1137011635 /nfs/dbraw/zinc/01/16/35/1137011635.db2.gz SFJDFNNRDUKXCZ-UHFFFAOYSA-N -1 0 346.456 3.717 20 0 EHADRM C[C@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1csc2ccccc21 ZINC000821053673 1137016023 /nfs/dbraw/zinc/01/60/23/1137016023.db2.gz FKQAPKCEZJTZKN-NWDGAFQWSA-N -1 0 337.466 3.533 20 0 EHADRM C=C/C=C\CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC001136434088 1137022440 /nfs/dbraw/zinc/02/24/40/1137022440.db2.gz KUDQUMHPHKKARQ-HYXAFXHYSA-N -1 0 342.420 3.558 20 0 EHADRM COc1ccc(O)c(C(=O)Nc2ccc(Nc3ccccc3)nc2)c1 ZINC001136467660 1137031803 /nfs/dbraw/zinc/03/18/03/1137031803.db2.gz JGBXTNRPUXIMTN-UHFFFAOYSA-N -1 0 335.363 3.792 20 0 EHADRM CC[C@H]1[C@H](C)CCN1C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000822072242 1137048853 /nfs/dbraw/zinc/04/88/53/1137048853.db2.gz GKPWXDXQUOTHPR-WBMJQRKESA-N -1 0 327.380 3.725 20 0 EHADRM Cn1nc(C(C)(C)C)cc1NC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001136612856 1137069089 /nfs/dbraw/zinc/06/90/89/1137069089.db2.gz ZRMSPUUIOBFSDJ-UHFFFAOYSA-N -1 0 342.226 3.982 20 0 EHADRM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CCC(OC2CCC2)CC1 ZINC000822911589 1137078908 /nfs/dbraw/zinc/07/89/08/1137078908.db2.gz SFAFBSRPDDQZCA-UHFFFAOYSA-N -1 0 344.238 3.873 20 0 EHADRM O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1ncccc1[O-] ZINC001136664821 1137084170 /nfs/dbraw/zinc/08/41/70/1137084170.db2.gz QSASZXYOHDZMPA-UHFFFAOYSA-N -1 0 337.404 3.652 20 0 EHADRM Cc1c(C(=O)[O-])cnn1-c1cccc(NC(=O)C=C2CCCCC2)c1 ZINC000823329350 1137095606 /nfs/dbraw/zinc/09/56/06/1137095606.db2.gz LIZOATTURMTFKH-UHFFFAOYSA-N -1 0 339.395 3.708 20 0 EHADRM CC1=Nc2ccccc2C12CCN(C(=O)c1cccc(F)c1[O-])CC2 ZINC000823811274 1137113823 /nfs/dbraw/zinc/11/38/23/1137113823.db2.gz JGNYPSZMTJAQEU-UHFFFAOYSA-N -1 0 338.382 3.811 20 0 EHADRM CCc1oc(C(=O)NCc2oc3ccccc3c2C)cc1C(=O)[O-] ZINC000339030095 1137115786 /nfs/dbraw/zinc/11/57/86/1137115786.db2.gz UXKGFZBCLCQDBD-UHFFFAOYSA-N -1 0 327.336 3.525 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CCNC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC001136790673 1137118301 /nfs/dbraw/zinc/11/83/01/1137118301.db2.gz BWCGEIMTKQAQNS-HUUCEWRRSA-N -1 0 327.428 3.524 20 0 EHADRM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CCC[C@@H](OC2CCC2)C1 ZINC000824293071 1137130878 /nfs/dbraw/zinc/13/08/78/1137130878.db2.gz XZDUCNYLSDZAPJ-GFCCVEGCSA-N -1 0 344.238 3.873 20 0 EHADRM O=C(Cc1csc(C2CCCC2)n1)[N-]OCCCC(F)(F)F ZINC000825361334 1137174599 /nfs/dbraw/zinc/17/45/99/1137174599.db2.gz RGRZRZSRHAVILO-UHFFFAOYSA-N -1 0 336.379 3.734 20 0 EHADRM CCc1ccc(CC)c(NC(=O)c2nn(-c3ccccc3)cc2[O-])c1 ZINC001137032233 1137176946 /nfs/dbraw/zinc/17/69/46/1137176946.db2.gz HFAXDKSNRKTYET-UHFFFAOYSA-N -1 0 335.407 3.955 20 0 EHADRM Nc1ccc(Nc2c(F)cc(C(=O)[O-])cc2F)cc1Br ZINC001160377417 1137182201 /nfs/dbraw/zinc/18/22/01/1137182201.db2.gz PXSQADDSFDWXGY-UHFFFAOYSA-N -1 0 343.127 3.751 20 0 EHADRM NC(=O)C[C@@H](CC(=O)Nc1ccccc1[S-])c1ccc(Cl)cc1 ZINC001143789845 1137197999 /nfs/dbraw/zinc/19/79/99/1137197999.db2.gz PMEQKAYOOAWWTE-LBPRGKRZSA-N -1 0 348.855 3.617 20 0 EHADRM CC(C)Oc1ccc([C@H](C)NC(=O)/C=C/c2cc(C(=O)[O-])co2)cc1 ZINC000864106521 1137215171 /nfs/dbraw/zinc/21/51/71/1137215171.db2.gz LZMYRTKRFBYSAF-XEHSLEBBSA-N -1 0 343.379 3.656 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1C ZINC000864105647 1137215297 /nfs/dbraw/zinc/21/52/97/1137215297.db2.gz KHVCZKHVRGJLBO-SECOEOQKSA-N -1 0 339.391 3.972 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)/C=C\c1cc(C(=O)[O-])co1)C1CC1 ZINC000864108554 1137215539 /nfs/dbraw/zinc/21/55/39/1137215539.db2.gz DGVUSAZDZTWIHQ-CNZFZVQHSA-N -1 0 325.364 3.567 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Cc1coc2cc(Cl)ccc12 ZINC000864132372 1137216632 /nfs/dbraw/zinc/21/66/32/1137216632.db2.gz QTULUZGDWNXCOB-AWEZNQCLSA-N -1 0 349.814 3.875 20 0 EHADRM CC(C)(CC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000864134492 1137216702 /nfs/dbraw/zinc/21/67/02/1137216702.db2.gz CIPAYGNWTVMFMA-BEFAXECRSA-N -1 0 335.419 3.643 20 0 EHADRM CC(C)(CC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccc(F)cc1 ZINC000864132302 1137216755 /nfs/dbraw/zinc/21/67/55/1137216755.db2.gz PBSBNISCDWNFET-OAHLLOKOSA-N -1 0 349.446 3.843 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000864132681 1137216798 /nfs/dbraw/zinc/21/67/98/1137216798.db2.gz VDBDGALETKGTNT-IAGOWNOFSA-N -1 0 335.419 3.861 20 0 EHADRM Cc1ccc(C(=O)N(C)c2ccc(OC(C)C)cc2)cc1C(=O)[O-] ZINC000864144007 1137217126 /nfs/dbraw/zinc/21/71/26/1137217126.db2.gz LTZXVGOVGRVXJG-UHFFFAOYSA-N -1 0 327.380 3.757 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C=C2CCCCC2)c(OCC(F)F)c1 ZINC000864171446 1137217565 /nfs/dbraw/zinc/21/75/65/1137217565.db2.gz VRDDDPVUJOPIEA-UHFFFAOYSA-N -1 0 339.338 3.858 20 0 EHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000864176314 1137217879 /nfs/dbraw/zinc/21/78/79/1137217879.db2.gz QQTICOZEKHIKQU-ZCKSSPOOSA-N -1 0 347.842 3.845 20 0 EHADRM CN(C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000864177628 1137217908 /nfs/dbraw/zinc/21/79/08/1137217908.db2.gz PUWSZQFVYISCLG-OWSLCNJRSA-N -1 0 329.440 3.672 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C[C@H]2CSCCS2)c2ccccc12 ZINC000864176562 1137217922 /nfs/dbraw/zinc/21/79/22/1137217922.db2.gz TWBAOHQGCONCSR-NSHDSACASA-N -1 0 347.461 3.715 20 0 EHADRM O=C([O-])c1cc(NC(=O)C[C@@H]2CSCCS2)cc2ccccc21 ZINC000864224828 1137219099 /nfs/dbraw/zinc/21/90/99/1137219099.db2.gz IWGZWDJRHNUZRN-CYBMUJFWSA-N -1 0 347.461 3.715 20 0 EHADRM Cc1cc(C(=O)N[C@@H]2C[C@H]3C[C@@]3(C(=O)[O-])C2)sc1-c1ccccc1 ZINC000864211532 1137219222 /nfs/dbraw/zinc/21/92/22/1137219222.db2.gz SYRXWFDRXRAJEN-IQUTYRLHSA-N -1 0 341.432 3.707 20 0 EHADRM Cc1nc(C2CCN(C(=O)[C@@H](C)C(C)(C)C)CC2)sc1C(=O)[O-] ZINC000864225638 1137219413 /nfs/dbraw/zinc/21/94/13/1137219413.db2.gz ZQUJNGTZPPJSHJ-SNVBAGLBSA-N -1 0 338.473 3.538 20 0 EHADRM COc1cccc(OC)c1OCc1nc(=O)c2c(C)sc(C)c2[n-]1 ZINC000864355726 1137223545 /nfs/dbraw/zinc/22/35/45/1137223545.db2.gz PZJJLQZGKNTAHX-UHFFFAOYSA-N -1 0 346.408 3.610 20 0 EHADRM CC(C)(C)c1nc(CNCc2cccc(CCC(=O)[O-])c2)cs1 ZINC000864517986 1137231593 /nfs/dbraw/zinc/23/15/93/1137231593.db2.gz SBLNOIVCGYJRFT-UHFFFAOYSA-N -1 0 332.469 3.748 20 0 EHADRM COc1ccc(CNc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c(C)c1OC ZINC000864521465 1137232076 /nfs/dbraw/zinc/23/20/76/1137232076.db2.gz BGNXAPVYQOEWRM-DLBZAZTESA-N -1 0 341.407 3.812 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC000864584700 1137235671 /nfs/dbraw/zinc/23/56/71/1137235671.db2.gz WBVYWJLSHWHSMO-UHFFFAOYSA-N -1 0 336.335 3.625 20 0 EHADRM C[C@@H](CC(=O)Nc1nc(Br)ccc1O)c1ccccc1 ZINC001144415652 1137287944 /nfs/dbraw/zinc/28/79/44/1137287944.db2.gz UNYZPDSNLGYQNA-JTQLQIEISA-N -1 0 335.201 3.682 20 0 EHADRM Cc1ccc([C@@H](C)C(=O)Nc2c(C)cc(C)cc2S(=O)(=O)[O-])cc1 ZINC001144454305 1137297726 /nfs/dbraw/zinc/29/77/26/1137297726.db2.gz IFYSULSPNXFREZ-CQSZACIVSA-N -1 0 347.436 3.601 20 0 EHADRM Cc1ccc([C@H](C)C(=O)Nc2c(C)cc(C)cc2S(=O)(=O)[O-])cc1 ZINC001144454303 1137297735 /nfs/dbraw/zinc/29/77/35/1137297735.db2.gz IFYSULSPNXFREZ-AWEZNQCLSA-N -1 0 347.436 3.601 20 0 EHADRM Cc1ccccc1[C@@H](O)C(=O)Nc1c(Cl)ccc([O-])c1Cl ZINC001144531857 1137305961 /nfs/dbraw/zinc/30/59/61/1137305961.db2.gz BGWRYDWBWJHTGG-CQSZACIVSA-N -1 0 326.179 3.680 20 0 EHADRM O=C(CC1CCC1)[N-]S(=O)(=O)c1ccc2c(c1)oc1ccccc12 ZINC000845829244 1137313188 /nfs/dbraw/zinc/31/31/88/1137313188.db2.gz XFAFJZIHRGPMJV-UHFFFAOYSA-N -1 0 343.404 3.581 20 0 EHADRM O=C([N-]OC1CCCC1)C1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000845913240 1137317880 /nfs/dbraw/zinc/31/78/80/1137317880.db2.gz AJBRDPVIOQDXOA-UHFFFAOYSA-N -1 0 329.318 3.607 20 0 EHADRM O=C(Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1)C1=CCCCC1 ZINC001146717197 1137393537 /nfs/dbraw/zinc/39/35/37/1137393537.db2.gz SPOSBPDMXYYWHM-UHFFFAOYSA-N -1 0 331.393 3.525 20 0 EHADRM COc1cc(C)c(C)cc1NC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001147064310 1137399330 /nfs/dbraw/zinc/39/93/30/1137399330.db2.gz FIFRHAORYHCIMB-UHFFFAOYSA-N -1 0 340.354 3.957 20 0 EHADRM C[C@H]1CN(C)c2ccccc2N(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC001148142949 1137418396 /nfs/dbraw/zinc/41/83/96/1137418396.db2.gz WCSSNDOJTYDMJQ-AWEZNQCLSA-N -1 0 347.418 3.673 20 0 EHADRM COc1cc(NC(=O)c2cc(Cl)cc(Cl)c2[O-])c(C)cn1 ZINC001148805012 1137435266 /nfs/dbraw/zinc/43/52/66/1137435266.db2.gz BKEZWBQXPITIDU-UHFFFAOYSA-N -1 0 327.167 3.663 20 0 EHADRM O=C(NCc1cccc2n[nH]cc21)c1cc(Cl)cc(Cl)c1[O-] ZINC001148813830 1137435698 /nfs/dbraw/zinc/43/56/98/1137435698.db2.gz IUKYHJIKSLXKFC-UHFFFAOYSA-N -1 0 336.178 3.505 20 0 EHADRM Cc1cc(N2CCC[C@H](CCC(=O)[O-])C2)nc(-c2cccs2)n1 ZINC000871867828 1137561515 /nfs/dbraw/zinc/56/15/15/1137561515.db2.gz TURZTJSUWSYTLA-CYBMUJFWSA-N -1 0 331.441 3.595 20 0 EHADRM Cc1ccc(NCc2cnc([C@@H]3CCCO3)s2)c(C)c1C(=O)[O-] ZINC000871885263 1137562472 /nfs/dbraw/zinc/56/24/72/1137562472.db2.gz SXAGJHPKGLLNGE-AWEZNQCLSA-N -1 0 332.425 3.922 20 0 EHADRM CC(C)c1cc([N-]S(=O)(=O)c2ccc(F)c(C(F)F)c2)no1 ZINC000872003679 1137564198 /nfs/dbraw/zinc/56/41/98/1137564198.db2.gz YUBZBCWIPLAGRG-UHFFFAOYSA-N -1 0 334.319 3.676 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2noc(C(C)(C)C)c2C)cc1 ZINC000872006943 1137564331 /nfs/dbraw/zinc/56/43/31/1137564331.db2.gz CGIZNHNSUBYWRE-UHFFFAOYSA-N -1 0 340.470 3.803 20 0 EHADRM CCc1nnc([N-]S(=O)(=O)Cc2ccc(C3CCCCC3)cc2)o1 ZINC000872005108 1137564387 /nfs/dbraw/zinc/56/43/87/1137564387.db2.gz SDCXZHDLFJWMNF-UHFFFAOYSA-N -1 0 349.456 3.622 20 0 EHADRM CCc1nc(C)c([N-]S(=O)(=O)Cc2ccc(F)cc2Cl)s1 ZINC000872005732 1137564427 /nfs/dbraw/zinc/56/44/27/1137564427.db2.gz TUINULYGIYJVBS-UHFFFAOYSA-N -1 0 348.852 3.748 20 0 EHADRM Cc1ccc(CN2CCO[C@H](c3cccc(Cl)c3)C2)cc1C(=O)[O-] ZINC000872159014 1137574441 /nfs/dbraw/zinc/57/44/41/1137574441.db2.gz KXKAVLQEWNASAR-SFHVURJKSA-N -1 0 345.826 3.920 20 0 EHADRM O=S(=O)([N-]c1cnoc1C1CC1)c1ccc2c3c(cccc31)CC2 ZINC000872374022 1137578988 /nfs/dbraw/zinc/57/89/88/1137578988.db2.gz UONPXAOKLCXRQI-UHFFFAOYSA-N -1 0 340.404 3.605 20 0 EHADRM CC(C)n1cc(S(=O)(=O)[N-]c2cccc(F)c2C(C)(F)F)cn1 ZINC000872406518 1137579470 /nfs/dbraw/zinc/57/94/70/1137579470.db2.gz VXWNZURVRYVNBQ-UHFFFAOYSA-N -1 0 347.362 3.516 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)c1 ZINC000872740356 1137583610 /nfs/dbraw/zinc/58/36/10/1137583610.db2.gz WHFYUAHGZVFYNX-IXDOHACOSA-N -1 0 345.439 3.579 20 0 EHADRM CC(C)[C@H](CC(=O)N1CC[C@]2(C(=O)[O-])CCC[C@H]12)c1ccccc1 ZINC000872766432 1137584050 /nfs/dbraw/zinc/58/40/50/1137584050.db2.gz GFOCFXWONMIJNR-ABSDTBQOSA-N -1 0 329.440 3.672 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000872768645 1137584106 /nfs/dbraw/zinc/58/41/06/1137584106.db2.gz RVLJGDPGBVUUEN-KBXCAEBGSA-N -1 0 347.411 3.818 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)[C@](C)(CC(=O)[O-])c2ccsc2)s1 ZINC000872839792 1137585384 /nfs/dbraw/zinc/58/53/84/1137585384.db2.gz ZCWAZQSXMUNNBC-BDJLRTHQSA-N -1 0 337.466 3.728 20 0 EHADRM O=C([O-])C1=C(C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)CCCC1 ZINC000872908414 1137586344 /nfs/dbraw/zinc/58/63/44/1137586344.db2.gz LZACWFSEYWVFQQ-GOSISDBHSA-N -1 0 325.408 3.620 20 0 EHADRM O=C([O-])C1=C(C(=O)Nc2ccc(CC(F)(F)F)cc2)CCCC1 ZINC000872933661 1137586752 /nfs/dbraw/zinc/58/67/52/1137586752.db2.gz CFHVRURYQOVJKM-UHFFFAOYSA-N -1 0 327.302 3.685 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)C(C)(C)SCC(=O)[O-])CC2 ZINC000872970089 1137587245 /nfs/dbraw/zinc/58/72/45/1137587245.db2.gz DQYNEYDYISRQBQ-HNNXBMFYSA-N -1 0 335.469 3.510 20 0 EHADRM CCc1ccc(C2CCN(C(=O)C(C)(C)SCC(=O)[O-])CC2)cc1 ZINC000872994024 1137587680 /nfs/dbraw/zinc/58/76/80/1137587680.db2.gz RYWWAWONHABDKL-UHFFFAOYSA-N -1 0 349.496 3.551 20 0 EHADRM Cc1ccc(NC(=O)C[C@@]2(C(=O)[O-])CCOC2)cc1-c1ccsc1 ZINC000873003663 1137587766 /nfs/dbraw/zinc/58/77/66/1137587766.db2.gz COACYGJRNGTKPE-SFHVURJKSA-N -1 0 345.420 3.543 20 0 EHADRM CCc1ccc(Br)c(NC(=O)CC(C)(C)CC(=O)[O-])c1 ZINC000873005530 1137587831 /nfs/dbraw/zinc/58/78/31/1137587831.db2.gz WLXKGCOKKBBAMT-UHFFFAOYSA-N -1 0 342.233 3.841 20 0 EHADRM O=C(N[C@@H](c1ccc(F)cc1F)C1CC1)c1s[n-]c(=O)c1Cl ZINC001137069360 1137593992 /nfs/dbraw/zinc/59/39/92/1137593992.db2.gz XHLABJZLHLXPHJ-LLVKDONJSA-N -1 0 344.770 3.661 20 0 EHADRM O=C([O-])[C@H]1CN(Cc2c(Cl)cncc2Cl)Cc2ccccc21 ZINC000873642958 1137605787 /nfs/dbraw/zinc/60/57/87/1137605787.db2.gz AXSHSFJMVRKZDF-LBPRGKRZSA-N -1 0 337.206 3.572 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)NCc2ccccc2C(=O)[O-])c(C)c1 ZINC000874409737 1137613748 /nfs/dbraw/zinc/61/37/48/1137613748.db2.gz XJEWHMNUBYBWFK-HNNXBMFYSA-N -1 0 340.423 3.904 20 0 EHADRM Cc1csc([C@H]2CCN(C(=O)c3ccc4oc(=S)[n-]c4c3)C2)n1 ZINC000874500287 1137616352 /nfs/dbraw/zinc/61/63/52/1137616352.db2.gz PGNIKTAWKQFSML-NSHDSACASA-N -1 0 345.449 3.511 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)Nc3ccc(CC(=O)[O-])cc3)cc2)o1 ZINC000874971710 1137627309 /nfs/dbraw/zinc/62/73/09/1137627309.db2.gz TWGXFIJYCATDCJ-UHFFFAOYSA-N -1 0 349.342 3.639 20 0 EHADRM O=Cc1ccc(-c2cc(Cl)c3cccnc3c2OCC(=O)[O-])cc1 ZINC000874972753 1137627329 /nfs/dbraw/zinc/62/73/29/1137627329.db2.gz MCBUIOFCRJZZMN-UHFFFAOYSA-N -1 0 341.750 3.831 20 0 EHADRM Cc1cc(COc2ccc(C(=O)[O-])cc2-c2ccc(C=O)s2)on1 ZINC000874972991 1137627350 /nfs/dbraw/zinc/62/73/50/1137627350.db2.gz SRXBFDGHFPVSNU-UHFFFAOYSA-N -1 0 343.360 3.801 20 0 EHADRM CCCC(CCC)C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000126679846 1137686646 /nfs/dbraw/zinc/68/66/46/1137686646.db2.gz BZJMQUCQQFGSLX-UHFFFAOYSA-N -1 0 335.469 3.636 20 0 EHADRM CCCOc1ccc(C(=O)CCC(=O)NOCc2ccccc2)cc1 ZINC000023040051 1137735507 /nfs/dbraw/zinc/73/55/07/1137735507.db2.gz PNUSNDUOEMRYLL-UHFFFAOYSA-N -1 0 341.407 3.686 20 0 EHADRM CCCCC[C@@H](C)NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000025347244 1137829506 /nfs/dbraw/zinc/82/95/06/1137829506.db2.gz WYPJKNWMEWUBOD-CYBMUJFWSA-N -1 0 347.484 3.534 20 0 EHADRM CN(C)c1ccc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)c(F)c1 ZINC000130771323 1137841985 /nfs/dbraw/zinc/84/19/85/1137841985.db2.gz CRHIHCMCFLQNAV-UHFFFAOYSA-N -1 0 331.372 3.574 20 0 EHADRM Cc1nc(C)c(-c2nc(-c3ccc4[n-]c(=S)sc4c3)no2)o1 ZINC001212792805 1137848464 /nfs/dbraw/zinc/84/84/64/1137848464.db2.gz NPQMNMRNDSXBGP-UHFFFAOYSA-N -1 0 330.394 3.907 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1 ZINC000131709251 1137859303 /nfs/dbraw/zinc/85/93/03/1137859303.db2.gz DZXYLNAZMXNJRG-CVEARBPZSA-N -1 0 345.464 3.696 20 0 EHADRM O=S(=O)([N-]c1ccc2c3c(cccc31)CC2)c1ccc(Cl)nc1 ZINC000028782758 1137869624 /nfs/dbraw/zinc/86/96/24/1137869624.db2.gz HMRRSMXCEDWMTI-UHFFFAOYSA-N -1 0 344.823 3.788 20 0 EHADRM CC(C)(C)c1cnc([N-]S(=O)(=O)/C=C\c2ccccc2F)s1 ZINC000800040112 1137895361 /nfs/dbraw/zinc/89/53/61/1137895361.db2.gz WSQSFKSVTHBNAK-HJWRWDBZSA-N -1 0 340.445 3.992 20 0 EHADRM CC(C)(C)[C@H]([N-]S(=O)(=O)/C=C\c1ccccc1F)C(F)(F)F ZINC000800044362 1137895544 /nfs/dbraw/zinc/89/55/44/1137895544.db2.gz ZPSDWTLHNHPBDV-LAUAKBEESA-N -1 0 339.354 3.693 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)N=c2nc(C(C)(C)C)[n-]s2)c1 ZINC000331571199 1137912968 /nfs/dbraw/zinc/91/29/68/1137912968.db2.gz QWPUJBIQJUDUDP-CQSZACIVSA-N -1 0 344.484 3.935 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2CC[C@@H](C)[C@@H]2c2cccc(F)c2)s1 ZINC000331607090 1137914352 /nfs/dbraw/zinc/91/43/52/1137914352.db2.gz VWFSGENGLJTNLN-IAQYHMDHSA-N -1 0 348.447 3.667 20 0 EHADRM CCC[C@@H]1CCCCN1C(=O)N=c1[n-]nc(-c2ccsc2)s1 ZINC000331878135 1137923993 /nfs/dbraw/zinc/92/39/93/1137923993.db2.gz CLAIHNAOZYWJFC-GFCCVEGCSA-N -1 0 336.486 3.875 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2[C@H](CC)CC[C@@H]2C)n1 ZINC000332159620 1137934006 /nfs/dbraw/zinc/93/40/06/1137934006.db2.gz VAJCKEQROPDMEG-DZGCQCFKSA-N -1 0 327.428 3.543 20 0 EHADRM CC(C)O[C@H]1C[C@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)C1(C)C ZINC000332477262 1137945036 /nfs/dbraw/zinc/94/50/36/1137945036.db2.gz UHSASEHOYPAJEU-STQMWFEESA-N -1 0 329.799 3.507 20 0 EHADRM C[C@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)c2ccccc2S1 ZINC000072823797 1138108184 /nfs/dbraw/zinc/10/81/84/1138108184.db2.gz SHTMIBKUAZGVDD-NSHDSACASA-N -1 0 343.477 3.876 20 0 EHADRM C[C@@H]1CCN(Cc2nc(=O)c3sccc3[n-]2)c2ccccc2S1 ZINC000072823794 1138108240 /nfs/dbraw/zinc/10/82/40/1138108240.db2.gz SHTMIBKUAZGVDD-LLVKDONJSA-N -1 0 343.477 3.876 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1c1nnc(-c2ccccc2Cl)s1 ZINC000886913446 1138172253 /nfs/dbraw/zinc/17/22/53/1138172253.db2.gz BWCUSFMAUAOBNN-JTQLQIEISA-N -1 0 337.832 3.692 20 0 EHADRM Cc1cccc2cc(C(=O)N3CC4(CCC4)[C@](F)(C(=O)[O-])C3)sc21 ZINC000826535427 1138210109 /nfs/dbraw/zinc/21/01/09/1138210109.db2.gz WTHVLGCCRMIMQQ-GOSISDBHSA-N -1 0 347.411 3.629 20 0 EHADRM Cn1cc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)c(C(C)(C)C)n1 ZINC000092282555 1138226585 /nfs/dbraw/zinc/22/65/85/1138226585.db2.gz PHFWLVNHBQYPGM-UHFFFAOYSA-N -1 0 330.413 3.774 20 0 EHADRM COc1ccc(C2CC2)cc1CNC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000887313595 1138261823 /nfs/dbraw/zinc/26/18/23/1138261823.db2.gz FVUDTFASFGEKGM-UHFFFAOYSA-N -1 0 345.439 3.614 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1 ZINC000887315803 1138263022 /nfs/dbraw/zinc/26/30/22/1138263022.db2.gz BRYHXWRQXHBBAH-AGIUHOORSA-N -1 0 345.292 3.865 20 0 EHADRM CC(C)c1cc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)ccc1O ZINC000887317735 1138263528 /nfs/dbraw/zinc/26/35/28/1138263528.db2.gz QKPINNMMPBZCLQ-FQEVSTJZSA-N -1 0 341.407 3.887 20 0 EHADRM Cc1ccc(C)c(C(=O)NC(C)(C)c2ccc(F)cc2F)c1C(=O)[O-] ZINC000887322384 1138265313 /nfs/dbraw/zinc/26/53/13/1138265313.db2.gz MZPQDVXYCCLBLY-UHFFFAOYSA-N -1 0 347.361 3.945 20 0 EHADRM Cc1csc(S(=O)(=O)[N-]c2cc(C)n(C3CCCCC3)n2)c1 ZINC000333438878 1138290391 /nfs/dbraw/zinc/29/03/91/1138290391.db2.gz PDJOYNMGRURLQB-UHFFFAOYSA-N -1 0 339.486 3.867 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1)C(=O)[O-] ZINC000887382283 1138293927 /nfs/dbraw/zinc/29/39/27/1138293927.db2.gz CDTWIXDQVVCQTP-GXFFZTMASA-N -1 0 336.285 3.634 20 0 EHADRM COCCC1(C(=O)Nc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000127145977 1138347889 /nfs/dbraw/zinc/34/78/89/1138347889.db2.gz JFEJWVHNWNMWFL-UHFFFAOYSA-N -1 0 348.624 3.563 20 0 EHADRM Cc1c(=O)[nH]c(SC[C@@H]2CCCC[C@@H]2O)nc1-c1ccccc1 ZINC000334025962 1138362853 /nfs/dbraw/zinc/36/28/53/1138362853.db2.gz HGVIXLRVLDPLFU-GJZGRUSLSA-N -1 0 330.453 3.801 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccnn2C(C)C)c1Cl ZINC000263844188 1138378833 /nfs/dbraw/zinc/37/88/33/1138378833.db2.gz LXVDFCARZRVXNJ-UHFFFAOYSA-N -1 0 348.255 3.880 20 0 EHADRM CC(C)CC[C@@H](NC(=O)N=c1[n-]ncs1)c1ccc(Cl)cc1 ZINC000336942282 1138431655 /nfs/dbraw/zinc/43/16/55/1138431655.db2.gz IWSFFDPAHDRWAR-CYBMUJFWSA-N -1 0 338.864 3.912 20 0 EHADRM COc1c(Cl)cc(NC(=O)CC2(C(=O)[O-])CCCC2)cc1Cl ZINC000337713370 1138649983 /nfs/dbraw/zinc/64/99/83/1138649983.db2.gz PFNUQPBGLJKOMD-UHFFFAOYSA-N -1 0 346.210 3.976 20 0 EHADRM CCOCc1cccc([N-]S(=O)(=O)c2cnc3ccccc3c2)c1 ZINC000337768787 1138663719 /nfs/dbraw/zinc/66/37/19/1138663719.db2.gz UPNHMAYIMJAHIP-UHFFFAOYSA-N -1 0 342.420 3.572 20 0 EHADRM Cc1ccccc1S([O-])=CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000133939753 1138664691 /nfs/dbraw/zinc/66/46/91/1138664691.db2.gz MISKPMLLADPDDI-PSLXWICFSA-N -1 0 349.883 3.976 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(CC(F)F)C3CC3)n2)c1 ZINC000134257811 1138679496 /nfs/dbraw/zinc/67/94/96/1138679496.db2.gz ZKXLKAQJYFQYKZ-UHFFFAOYSA-N -1 0 349.381 3.571 20 0 EHADRM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccn(C(C)C)n1 ZINC000337852313 1138682210 /nfs/dbraw/zinc/68/22/10/1138682210.db2.gz JUJVWRQQOGHFIE-UHFFFAOYSA-N -1 0 347.362 3.592 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@H]2CCSc3ccc(Cl)cc32)s[n-]1 ZINC000337909895 1138696186 /nfs/dbraw/zinc/69/61/86/1138696186.db2.gz HDNLHGVTYGWTRJ-KWQFWETISA-N -1 0 341.889 3.970 20 0 EHADRM CO[C@H](C)c1nc(=Nc2cccc(Oc3ccncc3)c2)s[n-]1 ZINC000337934205 1138700873 /nfs/dbraw/zinc/70/08/73/1138700873.db2.gz DGDAXHZBOHEACG-LLVKDONJSA-N -1 0 328.397 3.598 20 0 EHADRM CCC(CC)(CC(=O)Nc1cccc(-c2nccc(C)n2)c1)C(=O)[O-] ZINC000265203748 1138764749 /nfs/dbraw/zinc/76/47/49/1138764749.db2.gz KEIHGCPUAYXRPZ-UHFFFAOYSA-N -1 0 341.411 3.672 20 0 EHADRM O=C(NO[C@H]1CCCCO1)Nc1ccc(Br)cc1Cl ZINC000152825869 1139109528 /nfs/dbraw/zinc/10/95/28/1139109528.db2.gz GRNDGLPOPNOGCE-NSHDSACASA-N -1 0 349.612 3.682 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1ccc2[n-]c(=S)oc2c1)c1cccnc1 ZINC000176602954 1139568187 /nfs/dbraw/zinc/56/81/87/1139568187.db2.gz CVBSWVANRQSRIS-CQSZACIVSA-N -1 0 341.436 3.681 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)CCCC2CCCC2)c1Cl ZINC000777349859 1139779425 /nfs/dbraw/zinc/77/94/25/1139779425.db2.gz ALGZMBCOJURUOZ-UHFFFAOYSA-N -1 0 343.876 3.814 20 0 EHADRM CC[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(C)c1Cl)C(C)C ZINC000777353701 1139807677 /nfs/dbraw/zinc/80/76/77/1139807677.db2.gz BRBDHODQJDTQMU-GFCCVEGCSA-N -1 0 331.865 3.526 20 0 EHADRM CCS[C@@H]1CCC[C@@H](NC(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000180122575 1139811200 /nfs/dbraw/zinc/81/12/00/1139811200.db2.gz GCUZPBHCZIGFSK-RKDXNWHRSA-N -1 0 333.375 3.604 20 0 EHADRM O=C([O-])c1cccc(CC(=O)Nc2ccccc2SC(F)F)c1 ZINC000777358413 1139831314 /nfs/dbraw/zinc/83/13/14/1139831314.db2.gz KRWNWUQGFDUAQR-UHFFFAOYSA-N -1 0 337.347 3.881 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)NC(=O)CCc1ccccc1C(=O)[O-] ZINC000777359163 1139838329 /nfs/dbraw/zinc/83/83/29/1139838329.db2.gz XEDWSWAKLWYXKM-ZDUSSCGKSA-N -1 0 345.826 3.718 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000181652880 1139922109 /nfs/dbraw/zinc/92/21/09/1139922109.db2.gz ILWIZISPLROUQI-PMPSAXMXSA-N -1 0 343.448 3.882 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1 ZINC000777376438 1139927424 /nfs/dbraw/zinc/92/74/24/1139927424.db2.gz DKIZIAIVMDGFAU-VPUINMBXSA-N -1 0 347.411 3.937 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cn2)c(C)s1 ZINC000182747228 1139989611 /nfs/dbraw/zinc/98/96/11/1139989611.db2.gz FWAFGQFRQQJISL-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)c(C)o1 ZINC000182778617 1139992248 /nfs/dbraw/zinc/99/22/48/1139992248.db2.gz OIMNYPXPGVZEEF-UHFFFAOYSA-N -1 0 332.381 3.716 20 0 EHADRM C/C(=C\C(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1ccccc1Cl ZINC000777397819 1140056332 /nfs/dbraw/zinc/05/63/32/1140056332.db2.gz JMJCLPRMVAWTJH-XTZCOPOCSA-N -1 0 335.831 3.989 20 0 EHADRM CC(=O)CCCC(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000185721971 1140166475 /nfs/dbraw/zinc/16/64/75/1140166475.db2.gz COVXXDLRHIGQRS-UHFFFAOYSA-N -1 0 334.597 3.506 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000186822571 1140223451 /nfs/dbraw/zinc/22/34/51/1140223451.db2.gz RHGYVFDRDJMJCP-LBPRGKRZSA-N -1 0 335.325 3.514 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCC(c2ccsc2)CC1 ZINC000189255330 1140330725 /nfs/dbraw/zinc/33/07/25/1140330725.db2.gz VIJZDMADWITIMS-UHFFFAOYSA-N -1 0 341.354 3.891 20 0 EHADRM CC[C@H](C(=O)Nc1ccc(OCC(=O)[O-])cc1C)c1ccc(F)cc1 ZINC000190948343 1140426899 /nfs/dbraw/zinc/42/68/99/1140426899.db2.gz HZEZCQGRHKVMGI-INIZCTEOSA-N -1 0 345.370 3.730 20 0 EHADRM CCC(CC)C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000193337008 1140571865 /nfs/dbraw/zinc/57/18/65/1140571865.db2.gz WTMQZAMAEGEBKV-UHFFFAOYSA-N -1 0 346.452 3.862 20 0 EHADRM CC[C@H](NC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1)c1ccncc1 ZINC000266496660 1140694967 /nfs/dbraw/zinc/69/49/67/1140694967.db2.gz WKMFTAIRUIDEEX-QFBILLFUSA-N -1 0 332.444 3.710 20 0 EHADRM Cc1cnc([C@@H](C)NC(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)s1 ZINC000267350890 1140781548 /nfs/dbraw/zinc/78/15/48/1140781548.db2.gz LWVFWAQKPDYXRB-PXAZEXFGSA-N -1 0 338.473 3.690 20 0 EHADRM CC(C)COc1ccc(C(C)(C)C(=O)NCCCCCC(=O)[O-])cc1 ZINC000268990914 1141040914 /nfs/dbraw/zinc/04/09/14/1141040914.db2.gz SKWKSZPAASDBEY-UHFFFAOYSA-N -1 0 349.471 3.760 20 0 EHADRM CC(C)c1nnc([C@H](C)NC(=O)C(F)(F)c2cccc(Cl)c2)[nH]1 ZINC000270974969 1141288290 /nfs/dbraw/zinc/28/82/90/1141288290.db2.gz CGFXJJOMEIINLN-VIFPVBQESA-N -1 0 342.777 3.551 20 0 EHADRM C[C@@H](c1c(F)cccc1F)N(C)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000348654959 1141562580 /nfs/dbraw/zinc/56/25/80/1141562580.db2.gz YQTUUNLKRWNPES-ZETCQYMHSA-N -1 0 345.267 3.921 20 0 EHADRM Cc1cc2cc(C=Cc3nc(C)c(CC(=O)[O-])c(=O)[nH]3)oc2cc1C ZINC000349113702 1141641490 /nfs/dbraw/zinc/64/14/90/1141641490.db2.gz SUVZSNVPHFLXGU-SNAWJCMRSA-N -1 0 338.363 3.651 20 0 EHADRM O=C(Nc1ccc(OC(F)(F)F)cc1)c1c([O-])cc(F)cc1F ZINC000066041896 215003189 /nfs/dbraw/zinc/00/31/89/215003189.db2.gz SLMGFPAGNRANCT-UHFFFAOYSA-N -1 0 333.212 3.821 20 0 EHADRM Cc1c(NC(=O)c2cc(Cl)nc(Cl)c2)cccc1C(=O)[O-] ZINC000037985494 213183677 /nfs/dbraw/zinc/18/36/77/213183677.db2.gz GLPBBFHPONKREM-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM CC[C@@H](C(=O)Nc1ccc(OCC(=O)[O-])cc1C)c1ccccc1 ZINC000021141603 212211624 /nfs/dbraw/zinc/21/16/24/212211624.db2.gz XUXOEFRHVNMDEH-MRXNPFEDSA-N -1 0 327.380 3.591 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000020626968 212157681 /nfs/dbraw/zinc/15/76/81/212157681.db2.gz NJRACLCKDHHWBM-UHFFFAOYSA-N -1 0 338.237 3.864 20 0 EHADRM O=C([O-])C1CCN(c2nc3ccccc3c(-c3ccccc3)n2)CC1 ZINC000262132573 596914871 /nfs/dbraw/zinc/91/48/71/596914871.db2.gz OCUOOTBAEGWSAK-UHFFFAOYSA-N -1 0 333.391 3.598 20 0 EHADRM O=C([O-])C1CCN(C(=O)c2ccc(OCC3CCCCC3)cc2)CC1 ZINC000238041016 596928592 /nfs/dbraw/zinc/92/85/92/596928592.db2.gz RDMPEKZBUAOUTN-UHFFFAOYSA-N -1 0 345.439 3.583 20 0 EHADRM O=C([O-])C1(NC(=O)c2sc3cc(F)ccc3c2Cl)CCCC1 ZINC000314271234 597033186 /nfs/dbraw/zinc/03/31/86/597033186.db2.gz USAXUNPSEATELD-UHFFFAOYSA-N -1 0 341.791 3.821 20 0 EHADRM C[C@]12CC3CC(C(=O)N4CCC[C@@H](CC(=O)[O-])C4)(C1)C[C@@](C)(C3)C2 ZINC000325206082 597094895 /nfs/dbraw/zinc/09/48/95/597094895.db2.gz FJGBOSGHGAWLET-WCVHDJDDSA-N -1 0 333.472 3.696 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N2CCC[C@H]2c2cccc(F)c2)c1 ZINC000738624877 597187413 /nfs/dbraw/zinc/18/74/13/597187413.db2.gz VEZNLHARBTZZNO-KRWDZBQOSA-N -1 0 342.370 3.822 20 0 EHADRM CC(C)N(Cc1cccc(F)c1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737636376 597189698 /nfs/dbraw/zinc/18/96/98/597189698.db2.gz XNEYDSPFWXAICT-UHFFFAOYSA-N -1 0 344.386 3.895 20 0 EHADRM C[C@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)c1ccccc1Cl ZINC000321162505 597198738 /nfs/dbraw/zinc/19/87/38/597198738.db2.gz HIOYBDRJWMFVRZ-NSHDSACASA-N -1 0 332.787 3.850 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)C1(c2ccc(F)cc2)CCCC1 ZINC000819597693 597318944 /nfs/dbraw/zinc/31/89/44/597318944.db2.gz QPMAFJRZNAHBTB-UHFFFAOYSA-N -1 0 341.382 3.903 20 0 EHADRM Cc1cc(OCc2ccccc2)ccc1NC(=O)NCCCC(=O)[O-] ZINC000691051899 597320196 /nfs/dbraw/zinc/32/01/96/597320196.db2.gz MEOKCSAEABUSBS-UHFFFAOYSA-N -1 0 342.395 3.560 20 0 EHADRM Cc1ccccc1CN(C(=O)Nc1ccccc1CC(=O)[O-])C1CC1 ZINC000818958693 597323457 /nfs/dbraw/zinc/32/34/57/597323457.db2.gz DQIYWNIYJKONFL-UHFFFAOYSA-N -1 0 338.407 3.819 20 0 EHADRM CCOc1ccc([C@H](C)NC(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000818240123 597324738 /nfs/dbraw/zinc/32/47/38/597324738.db2.gz WPIRKXGCHUHTLJ-ZDUSSCGKSA-N -1 0 342.395 3.595 20 0 EHADRM Cc1cc(C)cc([C@H](C)NC(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000818809123 597330185 /nfs/dbraw/zinc/33/01/85/597330185.db2.gz JWFMFEKNLQXCBK-AWEZNQCLSA-N -1 0 326.396 3.813 20 0 EHADRM CC(C)N(Cc1cccc(F)c1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000817909835 597332680 /nfs/dbraw/zinc/33/26/80/597332680.db2.gz VDQWFHFTFKVEPG-UHFFFAOYSA-N -1 0 344.386 3.895 20 0 EHADRM Cc1c(C(=O)Nc2ccccc2CC(=O)[O-])cccc1-c1ccccn1 ZINC000431649273 597392185 /nfs/dbraw/zinc/39/21/85/597392185.db2.gz UZZIATCMCPZLDV-UHFFFAOYSA-N -1 0 346.386 3.936 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccccc2CC(=O)[O-])Cc2ccccc21 ZINC000820211786 597451387 /nfs/dbraw/zinc/45/13/87/597451387.db2.gz HXWZZICPSLFZOG-UHFFFAOYSA-N -1 0 338.407 3.639 20 0 EHADRM CN(Cc1nc2ccccc2s1)C(=O)Nc1ccccc1C(=O)[O-] ZINC000820607444 598178047 /nfs/dbraw/zinc/17/80/47/598178047.db2.gz CFSXUTKAPUCGEZ-UHFFFAOYSA-N -1 0 341.392 3.658 20 0 EHADRM COC(=O)C[C@H](C)S[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000831129672 600840220 /nfs/dbraw/zinc/84/02/20/600840220.db2.gz ZCXPTYDSHNXMTB-JVXZTZIISA-N -1 0 337.224 3.804 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)Oc1ccc(C)cc1C(=O)[O-] ZINC000738125469 599704191 /nfs/dbraw/zinc/70/41/91/599704191.db2.gz CVRVZOYMNFOILP-AWEZNQCLSA-N -1 0 342.391 3.876 20 0 EHADRM CCCc1ccc([C@H](NC(=O)CCNC(=O)[O-])c2cccs2)cc1 ZINC000737044936 599712245 /nfs/dbraw/zinc/71/22/45/599712245.db2.gz LLWXCURALYMXAK-KRWDZBQOSA-N -1 0 346.452 3.564 20 0 EHADRM CCCCc1oc2ccccc2c1CN(C)C(=O)CCCNC(=O)[O-] ZINC000737003869 599712346 /nfs/dbraw/zinc/71/23/46/599712346.db2.gz LRCRYHXYIQWSOV-UHFFFAOYSA-N -1 0 346.427 3.782 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(F)c(NC(=O)[O-])c1)c1ccc(F)cc1 ZINC000736598949 599712831 /nfs/dbraw/zinc/71/28/31/599712831.db2.gz ROVYEUHINYWWNM-JTQLQIEISA-N -1 0 349.337 3.980 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)CCCC1CCCCC1)Cc1ccc(O)cc1 ZINC000739236257 599716781 /nfs/dbraw/zinc/71/67/81/599716781.db2.gz OVYPZVZBACIOSL-QGZVFWFLSA-N -1 0 347.455 3.502 20 0 EHADRM CCc1ccc(N(Cc2ccc(C)s2)C(=O)CCNC(=O)[O-])cc1 ZINC000737267530 599719453 /nfs/dbraw/zinc/71/94/53/599719453.db2.gz ZOQVJOBJTQULFO-UHFFFAOYSA-N -1 0 346.452 3.810 20 0 EHADRM CSCc1ccc(NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000738195495 599719476 /nfs/dbraw/zinc/71/94/76/599719476.db2.gz UADFQJDEHHGIFT-UHFFFAOYSA-N -1 0 344.436 3.912 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1O ZINC000124583738 599719721 /nfs/dbraw/zinc/71/97/21/599719721.db2.gz QVXDXBGNWPGYHR-UHFFFAOYSA-N -1 0 326.135 3.650 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)Cc2ccccc2C(F)(F)F)cc1 ZINC000347093682 599728364 /nfs/dbraw/zinc/72/83/64/599728364.db2.gz BFKRVKVWEAPPDP-UHFFFAOYSA-N -1 0 337.297 3.514 20 0 EHADRM O=C([O-])NCCCC(=O)Nc1ccc(OCC2CCCCC2)cc1 ZINC000739962553 599729587 /nfs/dbraw/zinc/72/95/87/599729587.db2.gz ZOEUGBASYRSZJT-UHFFFAOYSA-N -1 0 334.416 3.632 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)C(=O)[O-] ZINC000346017619 599743926 /nfs/dbraw/zinc/74/39/26/599743926.db2.gz POLMFZVUYSGONH-CPFSXVBKSA-N -1 0 343.210 3.704 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)Oc2ccc(C(=O)[O-])cc2OC)cc1 ZINC000737255959 599744546 /nfs/dbraw/zinc/74/45/46/599744546.db2.gz DSMOADPGTNQQKE-GFCCVEGCSA-N -1 0 328.364 3.665 20 0 EHADRM CCC/C=C\C(=O)N(Cc1ccoc1C(=O)[O-])[C@@H](C)c1ccccn1 ZINC000736974550 599748276 /nfs/dbraw/zinc/74/82/76/599748276.db2.gz MILXZWGCYZELQI-UQYHUFHVSA-N -1 0 342.395 3.819 20 0 EHADRM C[C@H](CNC(=O)CCCN(C)C(=O)[O-])c1c(Cl)cccc1Cl ZINC000736595964 599749548 /nfs/dbraw/zinc/74/95/48/599749548.db2.gz PQJLQVBTNFGONE-SNVBAGLBSA-N -1 0 347.242 3.603 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccc(OCc3ccncc3)cc2)c1 ZINC000740215007 599754835 /nfs/dbraw/zinc/75/48/35/599754835.db2.gz DIZWKEYEGNBJLK-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM O=C([O-])c1sccc1NC(=O)CSc1cccc(Cl)c1 ZINC000739337476 599763780 /nfs/dbraw/zinc/76/37/80/599763780.db2.gz ILOVWTPQZGVUJZ-UHFFFAOYSA-N -1 0 327.814 3.831 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)Cc2ccc3c(c2)CCCC3)cc1 ZINC000238041022 599767113 /nfs/dbraw/zinc/76/71/13/599767113.db2.gz TXYUXKVNFNZQMD-UHFFFAOYSA-N -1 0 337.419 3.764 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)/C=C/c2ccc3ccccc3n2)cc1 ZINC000739756318 599767552 /nfs/dbraw/zinc/76/75/52/599767552.db2.gz OPGLRIQVGUIJTC-OUKQBFOZSA-N -1 0 346.386 3.904 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccccc1F ZINC000237464852 599772176 /nfs/dbraw/zinc/77/21/76/599772176.db2.gz MFZNRHLUDXEJAY-CYBMUJFWSA-N -1 0 329.371 3.975 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCC[C@H]2Cc2ccc(F)cc2)s1 ZINC000538469296 599773333 /nfs/dbraw/zinc/77/33/33/599773333.db2.gz NIGZHBVCISDCDO-AWEZNQCLSA-N -1 0 347.411 3.823 20 0 EHADRM CC(C)[C@@H](OC(=O)/C=C/c1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000736390341 599784476 /nfs/dbraw/zinc/78/44/76/599784476.db2.gz NXIJXCVXYMYOCC-DOJUMQAQSA-N -1 0 332.396 3.674 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)OC(=O)C[C@H](C)CC(C)C)c(C)c1C(=O)[O-] ZINC000738234453 599785152 /nfs/dbraw/zinc/78/51/52/599785152.db2.gz DOBOELBSLOBVMF-MFKMUULPSA-N -1 0 337.416 3.516 20 0 EHADRM CC[C@@H](C)c1ccc(NC(=O)CN[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000736890667 599786337 /nfs/dbraw/zinc/78/63/37/599786337.db2.gz GGKVTFNMLYEBGX-KUHUBIRLSA-N -1 0 340.423 3.554 20 0 EHADRM CCSc1ccc(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)cn1 ZINC000737228588 599793025 /nfs/dbraw/zinc/79/30/25/599793025.db2.gz AQMNOHACSJTIHM-NSHDSACASA-N -1 0 331.393 3.810 20 0 EHADRM CC(=O)c1cc(Br)ccc1OCc1cc(C(=O)[O-])co1 ZINC000312443787 599801617 /nfs/dbraw/zinc/80/16/17/599801617.db2.gz WEJCVNHJVMYRBF-UHFFFAOYSA-N -1 0 339.141 3.522 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)/C=C\c1cnn(-c2ccccc2)c1 ZINC000738527278 599807851 /nfs/dbraw/zinc/80/78/51/599807851.db2.gz ZNGNESMKXDQAQY-NTMALXAHSA-N -1 0 347.374 3.531 20 0 EHADRM O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)c1cccc(F)c1F ZINC000392060380 599810550 /nfs/dbraw/zinc/81/05/50/599810550.db2.gz MKHNBUYXAQGNNU-UHFFFAOYSA-N -1 0 345.223 3.934 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)c2ccc(C(F)F)cc2)cc1 ZINC000739738000 599811944 /nfs/dbraw/zinc/81/19/44/599811944.db2.gz DWCJHGUBCBTXBW-UHFFFAOYSA-N -1 0 335.306 3.730 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C(F)F)cc2)cc1 ZINC000737950990 599816674 /nfs/dbraw/zinc/81/66/74/599816674.db2.gz DCOZAKGMJAWHPN-OAHLLOKOSA-N -1 0 349.333 3.579 20 0 EHADRM O=C([O-])CN(Cc1ccccc1)C(=O)C[C@@H]1CCCc2ccccc21 ZINC000347346072 599817929 /nfs/dbraw/zinc/81/79/29/599817929.db2.gz LOLUEEQQFIOFIL-SFHVURJKSA-N -1 0 337.419 3.610 20 0 EHADRM CC[C@H](NC(=O)Nc1cccc(C(=O)[O-])c1C)c1nc(C)cs1 ZINC000736913426 599818120 /nfs/dbraw/zinc/81/81/20/599818120.db2.gz BVRWSOWUBKBXRJ-LBPRGKRZSA-N -1 0 333.413 3.731 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)NCc2cc3ccccc3[nH]2)cc1 ZINC000738598278 599825116 /nfs/dbraw/zinc/82/51/16/599825116.db2.gz ITKKSZWBXVVIJM-UHFFFAOYSA-N -1 0 337.379 3.507 20 0 EHADRM O=C([O-])/C(=C/c1cnn(-c2ccc(Cl)cc2)c1)c1ccncc1 ZINC000739488880 599830618 /nfs/dbraw/zinc/83/06/18/599830618.db2.gz BZSWMJRUFYBAFO-CXUHLZMHSA-N -1 0 325.755 3.546 20 0 EHADRM O=C([O-])CCCNC(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000739676178 599831200 /nfs/dbraw/zinc/83/12/00/599831200.db2.gz HIARKSBBSCFUBM-INIZCTEOSA-N -1 0 338.835 3.735 20 0 EHADRM CCCCS[C@@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000737001682 599834374 /nfs/dbraw/zinc/83/43/74/599834374.db2.gz XURPECPVNYJSRA-VIFPVBQESA-N -1 0 327.471 3.795 20 0 EHADRM CCCN(CC)c1ccc(C(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC000737019137 599835762 /nfs/dbraw/zinc/83/57/62/599835762.db2.gz FEOHOWYASLTUGL-UHFFFAOYSA-N -1 0 340.423 3.898 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)N(C)c1ccccc1C(=O)[O-] ZINC000736760322 599838329 /nfs/dbraw/zinc/83/83/29/599838329.db2.gz CRCMIVQGIQQVRN-RVKKMQEKSA-N -1 0 347.455 3.825 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)Cc1csc2ccccc12 ZINC000739355074 599844208 /nfs/dbraw/zinc/84/42/08/599844208.db2.gz DVXQQSKDZJNSET-UHFFFAOYSA-N -1 0 329.352 3.920 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)/C=C/c2ccccc2)cc1 ZINC000237350465 599848791 /nfs/dbraw/zinc/84/87/91/599848791.db2.gz GEPQZCDMIRHPJA-SNQZOLJRSA-N -1 0 341.432 3.754 20 0 EHADRM CC(C)(C)n1cc(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])cn1 ZINC000236780563 599849117 /nfs/dbraw/zinc/84/91/17/599849117.db2.gz HRNSKIPFTNJHJB-UHFFFAOYSA-N -1 0 337.379 3.742 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)/C=C\c2ccccc2)cc1 ZINC000738200057 599849487 /nfs/dbraw/zinc/84/94/87/599849487.db2.gz GEPQZCDMIRHPJA-UUKWBXHYSA-N -1 0 341.432 3.754 20 0 EHADRM O=C([O-])c1coc(CN2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 ZINC000740269340 599850412 /nfs/dbraw/zinc/85/04/12/599850412.db2.gz NFYXVDCSAOBSRL-IUCAKERBSA-N -1 0 345.239 3.541 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC2(c3ccc(Cl)cc3)CCCC2)cn1 ZINC000590437575 599850938 /nfs/dbraw/zinc/85/09/38/599850938.db2.gz GBCYRDSJFUKGGG-UHFFFAOYSA-N -1 0 344.798 3.633 20 0 EHADRM Cc1ccc(NC(=O)Cc2nc(-c3cc(C(=O)[O-])co3)cs2)cc1 ZINC000738625184 599859234 /nfs/dbraw/zinc/85/92/34/599859234.db2.gz FZEQOXYOOPBJBB-UHFFFAOYSA-N -1 0 342.376 3.591 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)C1(C(F)(F)F)CC1 ZINC000740281776 599870756 /nfs/dbraw/zinc/87/07/56/599870756.db2.gz YZOKZKQXFMLZJT-UHFFFAOYSA-N -1 0 343.326 3.558 20 0 EHADRM CC[C@H](CC(=O)O[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C)C(C)C ZINC000736891413 599870942 /nfs/dbraw/zinc/87/09/42/599870942.db2.gz ACEFPYPWIIDUAZ-UONOGXRCSA-N -1 0 349.427 3.636 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)c1ccc(F)cc1 ZINC000676018121 599871986 /nfs/dbraw/zinc/87/19/86/599871986.db2.gz CBLLHSOIDKDWBX-UHFFFAOYSA-N -1 0 329.352 3.669 20 0 EHADRM Cn1cc(Cl)cc1C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000678981549 599872354 /nfs/dbraw/zinc/87/23/54/599872354.db2.gz JTVGXZODDZRUTM-UHFFFAOYSA-N -1 0 348.811 3.521 20 0 EHADRM CCN(Cc1ccncc1)C(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000320450341 599880398 /nfs/dbraw/zinc/88/03/98/599880398.db2.gz MRTDIOXYRQGQDU-UHFFFAOYSA-N -1 0 333.413 3.512 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)Nc2ccccc2F)cc1 ZINC000738201435 599881096 /nfs/dbraw/zinc/88/10/96/599881096.db2.gz QPPDJLMBGFNICN-HNNXBMFYSA-N -1 0 348.399 3.885 20 0 EHADRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])cn1)c1ccc(C(F)(F)F)cc1 ZINC000736692391 599882536 /nfs/dbraw/zinc/88/25/36/599882536.db2.gz UPQZIFPHRDTHBX-SECBINFHSA-N -1 0 339.269 3.717 20 0 EHADRM O=C([O-])c1coc(COC(=O)c2ccccc2SC(F)(F)F)c1 ZINC000740269121 599882582 /nfs/dbraw/zinc/88/25/82/599882582.db2.gz BIJXQPZFBLPWTM-UHFFFAOYSA-N -1 0 346.282 3.947 20 0 EHADRM Cc1cc(N)ccc1C(=O)OCc1c2ccccc2sc1C(=O)[O-] ZINC000738408957 599884701 /nfs/dbraw/zinc/88/47/01/599884701.db2.gz RGABOMAGWDUOBO-UHFFFAOYSA-N -1 0 341.388 3.847 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)Nc1ncc(C(=O)[O-])s1 ZINC000736892113 599885280 /nfs/dbraw/zinc/88/52/80/599885280.db2.gz TUJKFMFBHCRLIZ-FBOQAHMBSA-N -1 0 346.408 3.671 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Oc2ccc(Br)cc2)c1 ZINC000740040315 599893165 /nfs/dbraw/zinc/89/31/65/599893165.db2.gz UDGPKYQOARGWFD-UHFFFAOYSA-N -1 0 336.141 3.758 20 0 EHADRM Cc1nc(CS[C@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)cs1 ZINC000738858576 599896503 /nfs/dbraw/zinc/89/65/03/599896503.db2.gz HRTMTFNKFGJEKV-SECBINFHSA-N -1 0 338.454 3.599 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N[C@H](c2ccccc2)c2ccncc2)c1 ZINC000740030075 599897154 /nfs/dbraw/zinc/89/71/54/599897154.db2.gz VYNPYULGLYGPMQ-GOSISDBHSA-N -1 0 347.374 3.691 20 0 EHADRM CCOc1ccc([C@@H](C)NC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000737194225 599898738 /nfs/dbraw/zinc/89/87/38/599898738.db2.gz BBWVSOLLTRNNFN-GFCCVEGCSA-N -1 0 328.368 3.666 20 0 EHADRM CC(C)Oc1ccc(CCNC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000736491360 599903698 /nfs/dbraw/zinc/90/36/98/599903698.db2.gz OBAMKDAYZJCRLY-UHFFFAOYSA-N -1 0 342.395 3.536 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C\C(=O)OCc1occc1C(=O)[O-] ZINC000736890879 599903820 /nfs/dbraw/zinc/90/38/20/599903820.db2.gz JKYIDGDQPUORBR-LJTDUEICSA-N -1 0 344.363 3.912 20 0 EHADRM Cc1nccc(-c2cccc(NC(=O)c3cccc(NC(=O)[O-])c3)c2)n1 ZINC000738887557 599904056 /nfs/dbraw/zinc/90/40/56/599904056.db2.gz DEPFFWWWBJJZLV-UHFFFAOYSA-N -1 0 348.362 3.794 20 0 EHADRM CC(C)[C@H](CC(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000262578080 599904475 /nfs/dbraw/zinc/90/44/75/599904475.db2.gz PHDCCUMIABAFBQ-SFHVURJKSA-N -1 0 341.407 3.918 20 0 EHADRM CCOC(=O)c1cc(C)sc1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000737153819 599906029 /nfs/dbraw/zinc/90/60/29/599906029.db2.gz HVDSSAOYTSEMCP-UHFFFAOYSA-N -1 0 348.380 3.575 20 0 EHADRM Cc1cc(N)nc(SCc2c3ccccc3sc2C(=O)[O-])n1 ZINC000738408283 599908849 /nfs/dbraw/zinc/90/88/49/599908849.db2.gz MIICZSSCJJGHMO-UHFFFAOYSA-N -1 0 331.422 3.572 20 0 EHADRM Cc1ccc(-c2cc(COc3ccc(C(=O)[O-])cc3C=O)on2)cc1 ZINC000738488976 599909515 /nfs/dbraw/zinc/90/95/15/599909515.db2.gz XTLFIMGXXMJVCP-UHFFFAOYSA-N -1 0 337.331 3.740 20 0 EHADRM O=Cc1cc(C(=O)[O-])ccc1OCc1coc(-c2ccc(F)cc2)n1 ZINC000740317509 599910024 /nfs/dbraw/zinc/91/00/24/599910024.db2.gz SOHYDPWIZXQYDK-UHFFFAOYSA-N -1 0 341.294 3.570 20 0 EHADRM O=Cc1cc(C(=O)[O-])ccc1OCc1nc2ccccc2n1C(F)F ZINC000740317398 599910088 /nfs/dbraw/zinc/91/00/88/599910088.db2.gz QLVQOUFYMROQFA-UHFFFAOYSA-N -1 0 346.289 3.521 20 0 EHADRM CC(C)[C@@H](CC(=O)N[C@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC000236672245 599912821 /nfs/dbraw/zinc/91/28/21/599912821.db2.gz PFKCGSJKZVDNRC-RTBURBONSA-N -1 0 339.435 3.628 20 0 EHADRM Cc1cc(NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])ccc1F ZINC000192922601 599913743 /nfs/dbraw/zinc/91/37/43/599913743.db2.gz CASIOBKKXYTADH-LLVKDONJSA-N -1 0 333.384 3.952 20 0 EHADRM Cc1cc(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)ccc1C(=O)[O-] ZINC000237831488 599915225 /nfs/dbraw/zinc/91/52/25/599915225.db2.gz CHYVXNUVHMNWGP-UHFFFAOYSA-N -1 0 341.411 3.774 20 0 EHADRM Cc1cc(NC(=O)c2cc(-c3cccc(F)c3)no2)ccc1C(=O)[O-] ZINC000534141764 599915728 /nfs/dbraw/zinc/91/57/28/599915728.db2.gz UVNUWRYQIILNRV-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM C[C@H](CN(C(=O)Cc1ccc(-c2ccccc2)cc1)C1CC1)C(=O)[O-] ZINC000237605547 599923405 /nfs/dbraw/zinc/92/34/05/599923405.db2.gz LYVKKOLBAUOXKY-OAHLLOKOSA-N -1 0 337.419 3.608 20 0 EHADRM C[C@@H](CN(C(=O)c1ccc(Oc2ccccc2)cc1)C1CC1)C(=O)[O-] ZINC000237471173 599923938 /nfs/dbraw/zinc/92/39/38/599923938.db2.gz KSZDKOOXOUIGJA-AWEZNQCLSA-N -1 0 339.391 3.804 20 0 EHADRM Cc1cccc(NC(=S)N[C@@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000738736866 599927226 /nfs/dbraw/zinc/92/72/26/599927226.db2.gz YEPFCNSALBIODE-INIZCTEOSA-N -1 0 328.437 3.888 20 0 EHADRM Cn1cc(C(=O)Oc2ccc(NC(=O)[O-])cc2)c(C2CCCCC2)n1 ZINC000738404430 599927821 /nfs/dbraw/zinc/92/78/21/599927821.db2.gz DOPHNGGKACAEDO-UHFFFAOYSA-N -1 0 343.383 3.777 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1ncc(C(=O)[O-])s1 ZINC000736927831 599928289 /nfs/dbraw/zinc/92/82/89/599928289.db2.gz GCQLEWBMCKNAGS-LBPRGKRZSA-N -1 0 348.424 3.761 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)C1 ZINC000136119330 599928382 /nfs/dbraw/zinc/92/83/82/599928382.db2.gz VJCROZGTLOVCHF-AWEZNQCLSA-N -1 0 345.345 3.569 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)c1cccc2ncccc21)c1ccccc1 ZINC000193457733 599934099 /nfs/dbraw/zinc/93/40/99/599934099.db2.gz YFSCJTHDNCVGBM-KRWDZBQOSA-N -1 0 334.375 3.571 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H](Cc3ccccc3)C2)s1 ZINC000263545502 599940112 /nfs/dbraw/zinc/94/01/12/599940112.db2.gz TXKUNZPFPXGHCG-AWEZNQCLSA-N -1 0 329.421 3.541 20 0 EHADRM O=C([O-])c1sc2ccccc2c1COC(=O)c1ccc(O)cc1 ZINC000740291116 599944205 /nfs/dbraw/zinc/94/42/05/599944205.db2.gz QVTPTAKBCNSSQM-UHFFFAOYSA-N -1 0 328.345 3.662 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cc3c(ccc4ccccc34)[nH]2)c1O ZINC000739480786 599945718 /nfs/dbraw/zinc/94/57/18/599945718.db2.gz SGMXQFKPPIDODN-UHFFFAOYSA-N -1 0 346.342 3.977 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)Nc1cccc(C(=O)[O-])c1O ZINC000392381201 599947179 /nfs/dbraw/zinc/94/71/79/599947179.db2.gz VSXNIGGYJHTLAA-UHFFFAOYSA-N -1 0 329.283 3.536 20 0 EHADRM CC(C)c1ccc(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])cc1 ZINC000536136228 599948925 /nfs/dbraw/zinc/94/89/25/599948925.db2.gz RZSCCRHFXJROSZ-KRWDZBQOSA-N -1 0 343.398 3.622 20 0 EHADRM CC(C)c1ccc(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])cc1 ZINC000536136232 599949056 /nfs/dbraw/zinc/94/90/56/599949056.db2.gz RZSCCRHFXJROSZ-QGZVFWFLSA-N -1 0 343.398 3.622 20 0 EHADRM Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000676019255 599949604 /nfs/dbraw/zinc/94/96/04/599949604.db2.gz LWPWEDMNDBDMKG-UHFFFAOYSA-N -1 0 329.400 3.514 20 0 EHADRM O=C([O-])c1coc(COC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)c1 ZINC000740268936 599953747 /nfs/dbraw/zinc/95/37/47/599953747.db2.gz XLIITPLQEXDQRW-ZWKOTPCHSA-N -1 0 336.343 3.978 20 0 EHADRM CN1C(=O)c2ccccc2N[C@@H]1c1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000737506156 599956929 /nfs/dbraw/zinc/95/69/29/599956929.db2.gz SGVXWVNSAHIETQ-SFHVURJKSA-N -1 0 348.358 3.841 20 0 EHADRM O=C([O-])CSCCC(=O)Nc1ccccc1SC1CCCC1 ZINC000739851662 599962269 /nfs/dbraw/zinc/96/22/69/599962269.db2.gz FIVGGVSSEYABSJ-UHFFFAOYSA-N -1 0 339.482 3.868 20 0 EHADRM O=C([O-])c1occc1COC(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000739216722 599995972 /nfs/dbraw/zinc/99/59/72/599995972.db2.gz PZTDBHRWFOWHIN-GFCCVEGCSA-N -1 0 342.269 3.757 20 0 EHADRM C[C@H](NC(=O)N1CCC(CC(=O)[O-])CC1)c1csc2ccccc21 ZINC000736643459 599996893 /nfs/dbraw/zinc/99/68/93/599996893.db2.gz WMOYMRBNHJSOKU-LBPRGKRZSA-N -1 0 346.452 3.859 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000740077137 599997146 /nfs/dbraw/zinc/99/71/46/599997146.db2.gz GAWPLWOLHDVEEI-QWRGUYRKSA-N -1 0 335.281 3.544 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)OCC(=O)c2ccc3ccccc3c2)c1 ZINC000740035769 600001085 /nfs/dbraw/zinc/00/10/85/600001085.db2.gz GSRGGNKYGVAXEP-UHFFFAOYSA-N -1 0 349.342 3.969 20 0 EHADRM CC(C)[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000325267664 600007567 /nfs/dbraw/zinc/00/75/67/600007567.db2.gz PPTYJTICRZBOAS-IINYFYTJSA-N -1 0 340.370 3.999 20 0 EHADRM COc1ccc(CN(C)C(=O)Nc2cccc(NC(=O)[O-])c2)cc1C ZINC000737995076 600008737 /nfs/dbraw/zinc/00/87/37/600008737.db2.gz OIVYFOSBYUWIFT-UHFFFAOYSA-N -1 0 343.383 3.757 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC000738533186 600011757 /nfs/dbraw/zinc/01/17/57/600011757.db2.gz OBSXPQLGHYPVBJ-OAHLLOKOSA-N -1 0 328.343 3.641 20 0 EHADRM COc1ccc(F)cc1[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000738017835 600015824 /nfs/dbraw/zinc/01/58/24/600015824.db2.gz OVPDZNJQEHQBAY-LLVKDONJSA-N -1 0 346.358 3.724 20 0 EHADRM Cc1cc(NC(=O)N[C@H](C)CCc2ccc(O)cc2)ccc1C(=O)[O-] ZINC000738440249 600017027 /nfs/dbraw/zinc/01/70/27/600017027.db2.gz GMMPVDVSUFTBAA-CYBMUJFWSA-N -1 0 342.395 3.542 20 0 EHADRM CC(C)C[C@H](NC(=O)NC1CCC(C(=O)[O-])CC1)c1cccs1 ZINC000414611313 600018932 /nfs/dbraw/zinc/01/89/32/600018932.db2.gz LJAACYADKBCTIU-RUXDESIVSA-N -1 0 338.473 3.778 20 0 EHADRM CCCCCCOc1ccc(CC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000736990494 600019018 /nfs/dbraw/zinc/01/90/18/600019018.db2.gz NNWZRNIOHCLAFV-QGZVFWFLSA-N -1 0 347.455 3.511 20 0 EHADRM C[C@@H](c1ccco1)N(C)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000736726632 600019702 /nfs/dbraw/zinc/01/97/02/600019702.db2.gz VPJVBLGOSOFJSJ-LBPRGKRZSA-N -1 0 348.424 3.822 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000740132035 600021375 /nfs/dbraw/zinc/02/13/75/600021375.db2.gz BUFWPMADIARIEJ-ZIAGYGMSSA-N -1 0 332.302 3.510 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)Nc1cccc(-n3cccc3)c1)C2 ZINC000740199947 600022367 /nfs/dbraw/zinc/02/23/67/600022367.db2.gz VZQODBHKNMTGJD-UHFFFAOYSA-N -1 0 347.374 3.723 20 0 EHADRM O=C([O-])C1CCC(NC(=O)N(Cc2ccccc2)CC2CCC2)CC1 ZINC000263446165 600031127 /nfs/dbraw/zinc/03/11/27/600031127.db2.gz FXEFELZWXHVAEG-UHFFFAOYSA-N -1 0 344.455 3.642 20 0 EHADRM CCCN(Cc1ccccc1)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000236729585 600033968 /nfs/dbraw/zinc/03/39/68/600033968.db2.gz UBROZJNGPRQHMG-UHFFFAOYSA-N -1 0 325.408 3.756 20 0 EHADRM CC[C@H](CNC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000236954915 600034967 /nfs/dbraw/zinc/03/49/67/600034967.db2.gz SNEOJRKHOIVDTA-MRXNPFEDSA-N -1 0 325.408 3.627 20 0 EHADRM CC(C)COc1ccc(CC(=O)Oc2ccccc2C(=O)[O-])cc1 ZINC000736446862 600034979 /nfs/dbraw/zinc/03/49/79/600034979.db2.gz XDSMQYRBGPRNIG-UHFFFAOYSA-N -1 0 328.364 3.568 20 0 EHADRM CCc1cccc2c(CC(=O)Nc3ccsc3C(=O)[O-])c[nH]c21 ZINC000737269997 600035122 /nfs/dbraw/zinc/03/51/22/600035122.db2.gz NDYNYFRJEGWBDS-UHFFFAOYSA-N -1 0 328.393 3.671 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000485659932 600035544 /nfs/dbraw/zinc/03/55/44/600035544.db2.gz HAJPXYOSCRBAIW-CGTJXYLNSA-N -1 0 329.440 3.793 20 0 EHADRM CC(C)N(Cc1cccc(F)c1)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000736470863 600037935 /nfs/dbraw/zinc/03/79/35/600037935.db2.gz BAHZLJPWFXWQQJ-UHFFFAOYSA-N -1 0 343.398 3.894 20 0 EHADRM COc1ccccc1C/C(C)=C\C(=O)Nc1sccc1C(=O)[O-] ZINC000738123255 600038902 /nfs/dbraw/zinc/03/89/02/600038902.db2.gz CAXBZCBVJLDGRJ-KHPPLWFESA-N -1 0 331.393 3.582 20 0 EHADRM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2cccc(NC(=O)[O-])c2)c1 ZINC000738096524 600039067 /nfs/dbraw/zinc/03/90/67/600039067.db2.gz PFLAZJBBGSAWAK-CVEARBPZSA-N -1 0 326.352 3.527 20 0 EHADRM COc1ccccc1C/C(C)=C\C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000738124223 600040544 /nfs/dbraw/zinc/04/05/44/600040544.db2.gz PGTABWXBVQTQOT-QBFSEMIESA-N -1 0 339.391 3.829 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000738261007 600041515 /nfs/dbraw/zinc/04/15/15/600041515.db2.gz MTDQKJDTCRBDIO-UHFFFAOYSA-N -1 0 335.359 3.904 20 0 EHADRM Cc1cc(C)c(/C=C\C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1C ZINC000738356054 600041570 /nfs/dbraw/zinc/04/15/70/600041570.db2.gz QGSNOEMJEFHJJU-SREVYHEPSA-N -1 0 335.403 3.866 20 0 EHADRM CCc1[nH]c(C(=O)N2CCCc3c(C)ccc(F)c32)c(C)c1C(=O)[O-] ZINC000737239482 600045667 /nfs/dbraw/zinc/04/56/67/600045667.db2.gz AFDSIEZFVLSGRC-UHFFFAOYSA-N -1 0 344.386 3.624 20 0 EHADRM Cc1cc(C(=O)[O-])c2sc(NC(=O)c3cccc(C)c3C)nc2n1 ZINC000738345041 600048612 /nfs/dbraw/zinc/04/86/12/600048612.db2.gz AYDBGGOXQAITGB-UHFFFAOYSA-N -1 0 341.392 3.567 20 0 EHADRM CCCC[C@@H](CC)C(=O)Nc1nc2nc(C)cc(C(=O)[O-])c2s1 ZINC000736983005 600049196 /nfs/dbraw/zinc/04/91/96/600049196.db2.gz XABGUUBMQPDBPP-SNVBAGLBSA-N -1 0 335.429 3.853 20 0 EHADRM O=C([O-])C1CCC(NC(=O)CCSc2ccc(Cl)cc2)CC1 ZINC000261728032 600050697 /nfs/dbraw/zinc/05/06/97/600050697.db2.gz QURBCCPCBNAOOS-UHFFFAOYSA-N -1 0 341.860 3.582 20 0 EHADRM O=C([O-])C1CCC(NC(=O)c2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000238018121 600051831 /nfs/dbraw/zinc/05/18/31/600051831.db2.gz PUHJYEINALOZGS-UHFFFAOYSA-N -1 0 347.411 3.927 20 0 EHADRM Cn1c(SCc2ccc(F)cc2C(=O)[O-])nnc1-c1cccs1 ZINC000739014667 600058927 /nfs/dbraw/zinc/05/89/27/600058927.db2.gz QHYVDMOTTBTYEG-UHFFFAOYSA-N -1 0 349.412 3.673 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N2CCC[C@H]2Cc2ccccc2)cc1 ZINC000238058677 600060728 /nfs/dbraw/zinc/06/07/28/600060728.db2.gz FGAVTFBAGBCNKJ-IBGZPJMESA-N -1 0 337.419 3.551 20 0 EHADRM CC[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1cccs1)c1ccccc1 ZINC000236927808 600060800 /nfs/dbraw/zinc/06/08/00/600060800.db2.gz HUBZYIWSGBSIAW-ZFWWWQNUSA-N -1 0 331.437 3.964 20 0 EHADRM CC[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1cccs1)c1ccccc1 ZINC000236930697 600060855 /nfs/dbraw/zinc/06/08/55/600060855.db2.gz HUBZYIWSGBSIAW-DZGCQCFKSA-N -1 0 331.437 3.964 20 0 EHADRM CC[C@@H](CC(=O)Oc1cc(OC)ccc1C(=O)[O-])c1ccccc1 ZINC000736893169 600060896 /nfs/dbraw/zinc/06/08/96/600060896.db2.gz FABSQKPDNZOFNC-ZDUSSCGKSA-N -1 0 328.364 3.883 20 0 EHADRM CC(C)(NC(=O)c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)[O-] ZINC000236687281 600061470 /nfs/dbraw/zinc/06/14/70/600061470.db2.gz CYUJAJZVINQWAE-UHFFFAOYSA-N -1 0 347.798 3.512 20 0 EHADRM CC/C(=C/C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-])c1ccccc1 ZINC000736834269 600062539 /nfs/dbraw/zinc/06/25/39/600062539.db2.gz HOMQXFUWTVWDLQ-ZCNSBHSOSA-N -1 0 327.424 3.724 20 0 EHADRM CC[C@@H](CC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F)c1ccccc1 ZINC000736891458 600063312 /nfs/dbraw/zinc/06/33/12/600063312.db2.gz BGBMFTHYZHVYSE-SGTLLEGYSA-N -1 0 347.361 3.791 20 0 EHADRM Cc1ccccc1[C@@H]1CCCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237629011 600063324 /nfs/dbraw/zinc/06/33/24/600063324.db2.gz KLONWKVCQQEHMG-IBGZPJMESA-N -1 0 337.419 3.990 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000738118649 600067186 /nfs/dbraw/zinc/06/71/86/600067186.db2.gz BJGOEPWLVBNJBQ-YFHOEESVSA-N -1 0 347.317 3.714 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000238212616 600067520 /nfs/dbraw/zinc/06/75/20/600067520.db2.gz UTXJVOLHPRFWSR-UHFFFAOYSA-N -1 0 347.411 3.715 20 0 EHADRM CCN(C)[C@H](C(=O)Nc1ccc(F)c(NC(=O)[O-])c1)c1ccccc1 ZINC000737067552 600068349 /nfs/dbraw/zinc/06/83/49/600068349.db2.gz CXEUFCDCSFEVRX-INIZCTEOSA-N -1 0 345.374 3.547 20 0 EHADRM C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000736727248 600068962 /nfs/dbraw/zinc/06/89/62/600068962.db2.gz YMOKMWZXLGDRER-VHDGCEQUSA-N -1 0 329.421 3.559 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)C1(c3ccccc3)CCCC1)C2 ZINC000392615371 600071871 /nfs/dbraw/zinc/07/18/71/600071871.db2.gz BMCVXRHSWGBHHC-UHFFFAOYSA-N -1 0 335.403 3.739 20 0 EHADRM C/C(=C/C(=O)N[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1Cl ZINC000236655045 600079067 /nfs/dbraw/zinc/07/90/67/600079067.db2.gz KLGQSCYMXNORKT-WFTPILKQSA-N -1 0 329.783 3.685 20 0 EHADRM O=C([O-])c1cc(Br)ccc1OCCOc1ccccc1 ZINC000011954894 600081095 /nfs/dbraw/zinc/08/10/95/600081095.db2.gz LJMQSNZOLLAJHM-UHFFFAOYSA-N -1 0 337.169 3.605 20 0 EHADRM Cc1cc(C)c(C(=O)COC(=O)c2ccccc2C(=O)[O-])c(C)c1C ZINC000738352606 600088504 /nfs/dbraw/zinc/08/85/04/600088504.db2.gz SGQHXUFGPFOQON-UHFFFAOYSA-N -1 0 340.375 3.658 20 0 EHADRM CC(C)Oc1ccccc1COC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000736493448 600090239 /nfs/dbraw/zinc/09/02/39/600090239.db2.gz UXRDEEGGQOHQQQ-UHFFFAOYSA-N -1 0 342.391 3.848 20 0 EHADRM CCc1[nH]c(C(=O)NC(C)(C)CCc2ccccc2)c(C)c1C(=O)[O-] ZINC000737241904 600091751 /nfs/dbraw/zinc/09/17/51/600091751.db2.gz PVAXZKFFOMUYTM-UHFFFAOYSA-N -1 0 342.439 3.725 20 0 EHADRM C/C=C\c1ccc(OC(=O)CCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000736835404 600099368 /nfs/dbraw/zinc/09/93/68/600099368.db2.gz LYUBGQRJCKDGJF-ARJAWSKDSA-N -1 0 340.375 3.965 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N(C)C[C@H](C)C(=O)[O-])c(F)c2)cc1 ZINC000237413919 600100327 /nfs/dbraw/zinc/10/03/27/600100327.db2.gz LBXPJQSCNFHSIN-ZDUSSCGKSA-N -1 0 329.371 3.594 20 0 EHADRM CC1(C)CO[C@@H](c2ccccc2)CN1Cc1ccc(F)cc1C(=O)[O-] ZINC000652408383 600100802 /nfs/dbraw/zinc/10/08/02/600100802.db2.gz GFFBUSURNBLPOZ-GOSISDBHSA-N -1 0 343.398 3.876 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)OCc2cnc3ccccc3c2)cc1 ZINC000739261412 600101015 /nfs/dbraw/zinc/10/10/15/600101015.db2.gz SAQWOOKAXRRQDE-UHFFFAOYSA-N -1 0 335.359 3.609 20 0 EHADRM O=C([O-])c1ccc(-c2noc(-c3ccc(OC(F)F)cc3)n2)cc1 ZINC000392025972 600113567 /nfs/dbraw/zinc/11/35/67/600113567.db2.gz DHPFUFLNEVCRMS-UHFFFAOYSA-N -1 0 332.262 3.703 20 0 EHADRM CC(C)(C)c1ccc(CCCC(=O)N2CCCC[C@H]2C(=O)[O-])cc1 ZINC000236582139 600113925 /nfs/dbraw/zinc/11/39/25/600113925.db2.gz XGOINOPYZFFJOM-KRWDZBQOSA-N -1 0 331.456 3.773 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)CCc1ccc(Cl)cc1 ZINC000739260537 600114201 /nfs/dbraw/zinc/11/42/01/600114201.db2.gz LMKAFIJFKOHIKU-UHFFFAOYSA-N -1 0 336.746 3.853 20 0 EHADRM COc1cccc2cc(C(=O)OCc3ccc(F)cc3C(=O)[O-])oc21 ZINC000738113691 600114887 /nfs/dbraw/zinc/11/48/87/600114887.db2.gz KKMNRLXEPLFNSV-UHFFFAOYSA-N -1 0 344.294 3.636 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000737733074 600115099 /nfs/dbraw/zinc/11/50/99/600115099.db2.gz GPEPHSUVTYSQDA-LBPRGKRZSA-N -1 0 340.379 3.640 20 0 EHADRM Cc1cc(NC(=O)CSCc2cccc(Cl)c2)c(C(=O)[O-])[nH]1 ZINC000387568565 600123281 /nfs/dbraw/zinc/12/32/81/600123281.db2.gz JDPINVNCZGHZBL-UHFFFAOYSA-N -1 0 338.816 3.547 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)c1ccc(OC(C)C)cc1 ZINC000736188312 600123837 /nfs/dbraw/zinc/12/38/37/600123837.db2.gz CGLTWDNIVNEOJG-UHFFFAOYSA-N -1 0 342.347 3.594 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)C[C@H](C)c1ccccc1 ZINC000736185326 600124634 /nfs/dbraw/zinc/12/46/34/600124634.db2.gz BHKFVGCCTXWSTL-LBPRGKRZSA-N -1 0 326.348 3.687 20 0 EHADRM C[C@H]1CCCN(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)C1 ZINC000736789795 600125008 /nfs/dbraw/zinc/12/50/08/600125008.db2.gz RECDKJQTQFYKBG-ZDUSSCGKSA-N -1 0 336.457 3.658 20 0 EHADRM Cc1cc(NC(=O)c2ccc(SC(F)F)cc2)c(C(=O)[O-])[nH]1 ZINC000738449333 600124983 /nfs/dbraw/zinc/12/49/83/600124983.db2.gz YODGJPSQIYHEOI-UHFFFAOYSA-N -1 0 326.324 3.588 20 0 EHADRM CCc1ccc(NC(=O)CNc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000737267431 600127046 /nfs/dbraw/zinc/12/70/46/600127046.db2.gz XKLQVGDSLOFYHN-UHFFFAOYSA-N -1 0 331.347 3.529 20 0 EHADRM Cc1cccc(C)c1NC(=O)CNc1ccc(F)c(NC(=O)[O-])c1 ZINC000738695104 600127738 /nfs/dbraw/zinc/12/77/38/600127738.db2.gz GTHPADHCWQJZIY-UHFFFAOYSA-N -1 0 331.347 3.583 20 0 EHADRM CC[C@@](NC(=O)/C=C/c1ccc(Cl)s1)(C(=O)[O-])c1ccccc1 ZINC000736907096 600127838 /nfs/dbraw/zinc/12/78/38/600127838.db2.gz NNWBRUPAQVSOOK-KAMXEHQASA-N -1 0 349.839 3.921 20 0 EHADRM CCn1cc(N=c2scc(-c3cc(C(=O)[O-])co3)n2C(C)C)cn1 ZINC000737301067 600145289 /nfs/dbraw/zinc/14/52/89/600145289.db2.gz MJMULFVWNABUPF-UHFFFAOYSA-N -1 0 346.412 3.538 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1cccc(C(F)F)c1 ZINC000737880151 600153867 /nfs/dbraw/zinc/15/38/67/600153867.db2.gz XDQRASKFJHDERN-SOFGYWHQSA-N -1 0 348.301 3.950 20 0 EHADRM Cc1ccc2oc(C(=O)Nc3ccc(F)c(NC(=O)[O-])c3)cc2n1 ZINC000738680497 600161065 /nfs/dbraw/zinc/16/10/65/600161065.db2.gz LKRQTDQCFWZPMH-UHFFFAOYSA-N -1 0 329.287 3.618 20 0 EHADRM C[C@H](CNC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)C(C)(C)C ZINC000736598048 600179493 /nfs/dbraw/zinc/17/94/93/600179493.db2.gz FTWPXAQIIZHBNB-CYBMUJFWSA-N -1 0 347.459 3.789 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000736759075 600181875 /nfs/dbraw/zinc/18/18/75/600181875.db2.gz GZGFXLYFVGOBTN-PBHICJAKSA-N -1 0 338.407 3.724 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)Nc2ccc(CC(=O)[O-])cc2)c1C ZINC000738694341 600182348 /nfs/dbraw/zinc/18/23/48/600182348.db2.gz YVACYLFAULXTBI-AWEZNQCLSA-N -1 0 326.396 3.813 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000736762526 600183253 /nfs/dbraw/zinc/18/32/53/600183253.db2.gz RGCNPUKDJWKBII-WFASDCNBSA-N -1 0 342.370 3.934 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000237414732 600189589 /nfs/dbraw/zinc/18/95/89/600189589.db2.gz XMTVZGBCOJICFC-GFCCVEGCSA-N -1 0 342.351 3.734 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000736618443 600191021 /nfs/dbraw/zinc/19/10/21/600191021.db2.gz QIFRLGJXHGAPLB-CYBMUJFWSA-N -1 0 329.421 3.776 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000237026441 600192050 /nfs/dbraw/zinc/19/20/50/600192050.db2.gz HIJINQMXJIQZKK-KRWDZBQOSA-N -1 0 343.448 3.614 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000736617433 600192815 /nfs/dbraw/zinc/19/28/15/600192815.db2.gz GCDQWRIFWDIFBU-CQSZACIVSA-N -1 0 335.469 3.709 20 0 EHADRM Cc1[nH]c2ccc(C(=O)N(C)[C@@H](C(=O)[O-])c3ccccc3)cc2c1C ZINC000738246887 600194466 /nfs/dbraw/zinc/19/44/66/600194466.db2.gz QYIGWEJEEFMPRW-GOSISDBHSA-N -1 0 336.391 3.683 20 0 EHADRM Cc1cc(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)c(C)n1C(C)C ZINC000738320988 600196220 /nfs/dbraw/zinc/19/62/20/600196220.db2.gz XWHMIRPBLWIGQA-KRWDZBQOSA-N -1 0 328.412 3.584 20 0 EHADRM CC(C)COc1ccccc1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000736449002 600200091 /nfs/dbraw/zinc/20/00/91/600200091.db2.gz UZOQKVWJKFBBLG-UHFFFAOYSA-N -1 0 331.343 3.811 20 0 EHADRM Cc1nc(-c2ccccc2F)sc1[C@H](C)OC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000738833497 600204501 /nfs/dbraw/zinc/20/45/01/600204501.db2.gz YLXSECAVNUYGDY-ZMLRMANQSA-N -1 0 349.383 3.583 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)c1 ZINC000238150373 600206039 /nfs/dbraw/zinc/20/60/39/600206039.db2.gz DQKVVGSXWVPOJW-NXEZZACHSA-N -1 0 335.281 3.544 20 0 EHADRM CCc1cccc(C)c1NC(=O)CNc1cc(Cl)cc(C(=O)[O-])c1 ZINC000737267184 600207653 /nfs/dbraw/zinc/20/76/53/600207653.db2.gz MQJPLIZURIFNHM-UHFFFAOYSA-N -1 0 346.814 3.960 20 0 EHADRM C[C@H](CC(=O)N1C[C@H](C(=O)[O-])c2ccccc21)c1cccc(F)c1 ZINC000192949065 600207979 /nfs/dbraw/zinc/20/79/79/600207979.db2.gz CJHCHQLGSQITLO-WBMJQRKESA-N -1 0 327.355 3.534 20 0 EHADRM O=C([O-])CN(Cc1ccc(Cl)cc1)Cc1ccc2ccccc2n1 ZINC000739797122 600209048 /nfs/dbraw/zinc/20/90/48/600209048.db2.gz RCMFHIBJFVHUCO-UHFFFAOYSA-N -1 0 340.810 3.975 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCC2CCCC2)c(OC(F)F)c1 ZINC000621564898 600210801 /nfs/dbraw/zinc/21/08/01/600210801.db2.gz YZSUJSOPBJCUJU-UHFFFAOYSA-N -1 0 327.327 3.895 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000177472704 600215261 /nfs/dbraw/zinc/21/52/61/600215261.db2.gz YFXHUENAVUWTLX-LLVKDONJSA-N -1 0 336.174 3.822 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000192946885 600217026 /nfs/dbraw/zinc/21/70/26/600217026.db2.gz CMYFJEWMNASJED-BBRMVZONSA-N -1 0 341.432 3.523 20 0 EHADRM CCSCc1ccc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000192955213 600222783 /nfs/dbraw/zinc/22/27/83/600222783.db2.gz FMOVPYGSLOPQSO-MRXNPFEDSA-N -1 0 341.432 3.768 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000736492549 600230646 /nfs/dbraw/zinc/23/06/46/600230646.db2.gz FUVJRBIWDLRHFO-UHFFFAOYSA-N -1 0 332.331 3.955 20 0 EHADRM CC(C)OCc1cccc(NC(=O)Nc2ccc(CC(=O)[O-])cc2)c1 ZINC000736485892 600231685 /nfs/dbraw/zinc/23/16/85/600231685.db2.gz GYUQLEVBNZYWRO-UHFFFAOYSA-N -1 0 342.395 3.883 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)CCc1cc(Cl)cs1 ZINC000739251780 600248096 /nfs/dbraw/zinc/24/80/96/600248096.db2.gz NBBREAAQYHVRLN-UHFFFAOYSA-N -1 0 327.764 3.810 20 0 EHADRM O=C([O-])c1ccc(-c2noc([C@@H]3C[C@H]3c3c(F)cccc3F)n2)cc1 ZINC000740101667 600248688 /nfs/dbraw/zinc/24/86/88/600248688.db2.gz QQPPPWDYKBEZAE-VXGBXAGGSA-N -1 0 342.301 3.984 20 0 EHADRM O=C([O-])[C@H]1CC12CCN(C(=S)Nc1ccc3ccccc3c1)CC2 ZINC000739533126 600248732 /nfs/dbraw/zinc/24/87/32/600248732.db2.gz UXMUWJMCACBDRR-MRXNPFEDSA-N -1 0 340.448 3.723 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)Oc1c(OC)cccc1C(=O)[O-] ZINC000736904694 600250649 /nfs/dbraw/zinc/25/06/49/600250649.db2.gz XSRCZFKHEUKJCY-AWEZNQCLSA-N -1 0 328.364 3.568 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC000736929789 600251233 /nfs/dbraw/zinc/25/12/33/600251233.db2.gz VVLVJSBPMLWRCP-OAHLLOKOSA-N -1 0 344.411 3.941 20 0 EHADRM CC(C)(NC(=O)CCc1ccc(C(=O)[O-])cc1)c1cccc(F)c1 ZINC000236656950 600252359 /nfs/dbraw/zinc/25/23/59/600252359.db2.gz KXJRKBBAYFSPPP-UHFFFAOYSA-N -1 0 329.371 3.508 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1cccc(C(=O)[O-])c1 ZINC000237311926 600252577 /nfs/dbraw/zinc/25/25/77/600252577.db2.gz RGWNBQKTWLDRKR-LBPRGKRZSA-N -1 0 331.799 3.741 20 0 EHADRM Cc1cc(NC(=O)c2cc(-c3cccc(Cl)c3)no2)c(C(=O)[O-])[nH]1 ZINC000738444782 600256141 /nfs/dbraw/zinc/25/61/41/600256141.db2.gz XEDCCHKGTKOFRX-UHFFFAOYSA-N -1 0 345.742 3.582 20 0 EHADRM CCO[C@H](C)c1nc(COc2cc(C)sc2C(=O)[O-])cs1 ZINC000737159400 600261018 /nfs/dbraw/zinc/26/10/18/600261018.db2.gz XSYCHTGYIJQCGC-SECBINFHSA-N -1 0 327.427 3.888 20 0 EHADRM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1ccccc1C(=O)[O-] ZINC000736765047 600267386 /nfs/dbraw/zinc/26/73/86/600267386.db2.gz YAJLXYSSFKKPOK-JSGCOSHPSA-N -1 0 342.370 3.934 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)NC(C)(C)c2cccs2)cc1 ZINC000737332942 600268872 /nfs/dbraw/zinc/26/88/72/600268872.db2.gz RNAARKNRUYILMQ-UHFFFAOYSA-N -1 0 333.413 3.919 20 0 EHADRM O=C([O-])[C@H]1CC12CCN(C(=O)c1sccc1-c1ccccc1)CC2 ZINC000262500048 600276321 /nfs/dbraw/zinc/27/63/21/600276321.db2.gz YHNURVYDCGUGPZ-OAHLLOKOSA-N -1 0 341.432 3.742 20 0 EHADRM CSCC[C@H](C)N(C)C(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000161720130 600276825 /nfs/dbraw/zinc/27/68/25/600276825.db2.gz RYSDXQMIDGIPOM-QMMMGPOBSA-N -1 0 330.475 3.668 20 0 EHADRM Cc1[nH]c2ccc(C(=O)N3C[C@@H](C(=O)[O-])c4ccccc43)cc2c1C ZINC000177475645 600280046 /nfs/dbraw/zinc/28/00/46/600280046.db2.gz OHMYSWHJZFMXGG-MRXNPFEDSA-N -1 0 334.375 3.613 20 0 EHADRM Cc1cccc(C(C)(C)NC(=O)Nc2ccc(CNC(=O)[O-])cc2)c1 ZINC000738691508 600280325 /nfs/dbraw/zinc/28/03/25/600280325.db2.gz BYJDOBZLNAZMGZ-UHFFFAOYSA-N -1 0 341.411 3.819 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)NCCCOc2ccccc2)c1 ZINC000325380243 600281881 /nfs/dbraw/zinc/28/18/81/600281881.db2.gz NEKVGMPEHYOAJQ-UHFFFAOYSA-N -1 0 348.786 3.629 20 0 EHADRM CN(Cc1ccc(NC(=O)CCc2cccc(F)c2F)cc1)C(=O)[O-] ZINC000737479709 600282750 /nfs/dbraw/zinc/28/27/50/600282750.db2.gz XLMFLZNIEVJUJZ-UHFFFAOYSA-N -1 0 348.349 3.646 20 0 EHADRM CN(Cc1ccc(NC(=O)c2cccc(-n3cccc3)c2)cc1)C(=O)[O-] ZINC000737485586 600282978 /nfs/dbraw/zinc/28/29/78/600282978.db2.gz VXKUDIPLDKDMIJ-UHFFFAOYSA-N -1 0 349.390 3.839 20 0 EHADRM Cc1cc(CNC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)ccc1F ZINC000738388774 600283692 /nfs/dbraw/zinc/28/36/92/600283692.db2.gz MQGQWPQZQBNUEY-UHFFFAOYSA-N -1 0 336.750 3.807 20 0 EHADRM CN(Cc1ccc(NC(=O)C2(c3cccc(F)c3)CC2)cc1)C(=O)[O-] ZINC000737479032 600285733 /nfs/dbraw/zinc/28/57/33/600285733.db2.gz RUQNJBHGTZKNMJ-UHFFFAOYSA-N -1 0 342.370 3.606 20 0 EHADRM CS[C@H]1CCC[C@@H](NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC000390063859 600287745 /nfs/dbraw/zinc/28/77/45/600287745.db2.gz KUOHLRAQNQHEMS-YPMHNXCESA-N -1 0 342.848 3.834 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000739993001 600294572 /nfs/dbraw/zinc/29/45/72/600294572.db2.gz YVKUZNZGPIRKIX-UHFFFAOYSA-N -1 0 338.285 3.725 20 0 EHADRM Cc1ccccc1NCCC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000738776925 600307195 /nfs/dbraw/zinc/30/71/95/600307195.db2.gz BZYVQLVACHVENK-UHFFFAOYSA-N -1 0 341.411 3.546 20 0 EHADRM CC(C)c1ccccc1NC(=O)CNc1ccc(CNC(=O)[O-])cc1 ZINC000736522916 600316627 /nfs/dbraw/zinc/31/66/27/600316627.db2.gz KBDXEYBXXMEOPZ-UHFFFAOYSA-N -1 0 341.411 3.628 20 0 EHADRM CCOc1ccccc1C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737212244 600321545 /nfs/dbraw/zinc/32/15/45/600321545.db2.gz CZMSNUPGTDPFNQ-OAHLLOKOSA-N -1 0 334.755 3.721 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccc2ccccc2n1)c1cccc(Cl)c1 ZINC000740296761 600321694 /nfs/dbraw/zinc/32/16/94/600321694.db2.gz DBUKGKPLKZAYJA-INIZCTEOSA-N -1 0 341.750 3.871 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cc2ccsc2[nH]1)c1cccc(Cl)c1 ZINC000740292275 600323108 /nfs/dbraw/zinc/32/31/08/600323108.db2.gz OUGNDIWGUSKWOK-LBPRGKRZSA-N -1 0 335.768 3.866 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccc(F)c(F)c1)c1cccc(Cl)c1 ZINC000740298318 600323140 /nfs/dbraw/zinc/32/31/40/600323140.db2.gz KHYOFKRQHYUAEO-CYBMUJFWSA-N -1 0 326.682 3.601 20 0 EHADRM C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1Cc1ccc(F)cc1C(=O)[O-] ZINC000736823551 600331634 /nfs/dbraw/zinc/33/16/34/600331634.db2.gz XMAYCBBEMWJTQN-PJIJBLCYSA-N -1 0 343.398 3.874 20 0 EHADRM COCc1cccc(NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)c1 ZINC000737834732 600335762 /nfs/dbraw/zinc/33/57/62/600335762.db2.gz HAZQXXQLJVTGDI-UHFFFAOYSA-N -1 0 343.383 3.587 20 0 EHADRM CC1(C)CO[C@H](c2ccccc2Cl)CN1Cc1ccc(C(=O)[O-])o1 ZINC000736736880 600336229 /nfs/dbraw/zinc/33/62/29/600336229.db2.gz HJNKBBOUNQRIHB-INIZCTEOSA-N -1 0 349.814 3.983 20 0 EHADRM CC(C)Oc1ccc(NC(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000736494127 600337055 /nfs/dbraw/zinc/33/70/55/600337055.db2.gz IPBMIOWEBYOMHA-UHFFFAOYSA-N -1 0 343.383 3.885 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(F)c(NC(=O)[O-])c1)Oc1ccccc1 ZINC000736598155 600338351 /nfs/dbraw/zinc/33/83/51/600338351.db2.gz IQCUMCTWUKILKS-NSHDSACASA-N -1 0 347.346 3.505 20 0 EHADRM CN(Cc1ccc(NC(=O)N2CCC[C@@H]2C2CCCC2)cc1)C(=O)[O-] ZINC000737483014 600343189 /nfs/dbraw/zinc/34/31/89/600343189.db2.gz PHCPEYHEQBWZHQ-QGZVFWFLSA-N -1 0 345.443 3.983 20 0 EHADRM CN(Cc1ccc(NC(=O)NC/C=C/c2ccccc2)cc1)C(=O)[O-] ZINC000737481344 600346316 /nfs/dbraw/zinc/34/63/16/600346316.db2.gz FCWYTNPKTYHIOR-VMPITWQZSA-N -1 0 339.395 3.631 20 0 EHADRM Cc1cc(C)cc([C@@H](C)NC(=O)Nc2ccc(CNC(=O)[O-])cc2)c1 ZINC000738363093 600349577 /nfs/dbraw/zinc/34/95/77/600349577.db2.gz BVXZJWFSYXADNE-CQSZACIVSA-N -1 0 341.411 3.954 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc(CNC(=O)[O-])cc2)o1 ZINC000738581938 600352683 /nfs/dbraw/zinc/35/26/83/600352683.db2.gz HGNYSEUZWAWDFY-OAHLLOKOSA-N -1 0 343.383 3.725 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)N[C@H](c2ccccc2)C2CC2)cc1 ZINC000739988271 600353114 /nfs/dbraw/zinc/35/31/14/600353114.db2.gz PKHXVTZMDNCUBN-QGZVFWFLSA-N -1 0 339.395 3.727 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)[C@@H](C)c1ccsc1 ZINC000737871326 600374258 /nfs/dbraw/zinc/37/42/58/600374258.db2.gz KDLUHDVIQKCKSD-MALLOTDXSA-N -1 0 332.377 3.564 20 0 EHADRM CCC[C@@](C)(NC(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000236960428 600374823 /nfs/dbraw/zinc/37/48/23/600374823.db2.gz RIQBCSHNHGPGTC-MEDUHNTESA-N -1 0 345.361 3.644 20 0 EHADRM O=C([O-])C1CCC(NC(=O)C2(c3cccs3)CCCCC2)CC1 ZINC000262627045 600378687 /nfs/dbraw/zinc/37/86/87/600378687.db2.gz DTNVCAXEGFCGFN-UHFFFAOYSA-N -1 0 335.469 3.710 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@@H](C)Oc1cccc(C)c1)c1ccccc1 ZINC000736850632 600379298 /nfs/dbraw/zinc/37/92/98/600379298.db2.gz XNCIXXLIJQPNAS-QAPCUYQASA-N -1 0 341.407 3.659 20 0 EHADRM O=C([O-])[C@H](Sc1ncn(-c2ccccc2)n1)c1cccc(Cl)c1 ZINC000739514207 600379535 /nfs/dbraw/zinc/37/95/35/600379535.db2.gz VJSJTEDKCLJJDF-CQSZACIVSA-N -1 0 345.811 3.839 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)Cc1ccccc1Cl)c1ccccc1 ZINC000736852737 600380474 /nfs/dbraw/zinc/38/04/74/600380474.db2.gz PSDLCTNDMUWHGO-MRXNPFEDSA-N -1 0 331.799 3.779 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)/C=C\C1CCCCC1 ZINC000737871172 600381178 /nfs/dbraw/zinc/38/11/78/600381178.db2.gz IPZAUQADKBQZPH-OJOCYUAFSA-N -1 0 330.380 3.835 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736904846 600381564 /nfs/dbraw/zinc/38/15/64/600381564.db2.gz ZJQJKCBWXOMOMN-QGZVFWFLSA-N -1 0 340.423 3.704 20 0 EHADRM Cc1oc(COC(=O)/C=C/c2ccnc3ccccc23)cc1C(=O)[O-] ZINC000738983293 600381597 /nfs/dbraw/zinc/38/15/97/600381597.db2.gz QPOGDQHOJUZTHG-VOTSOKGWSA-N -1 0 337.331 3.591 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000236770205 600382529 /nfs/dbraw/zinc/38/25/29/600382529.db2.gz LBYPCJZIESCVGY-UHFFFAOYSA-N -1 0 341.407 3.748 20 0 EHADRM Cc1cc(C(=O)NCCc2ccc(NC(=O)[O-])cc2)c2ccccc2n1 ZINC000738333002 600382725 /nfs/dbraw/zinc/38/27/25/600382725.db2.gz XWGIFJLWFRWMQX-UHFFFAOYSA-N -1 0 349.390 3.606 20 0 EHADRM CCOc1ccc(C(=O)N(c2ccccc2)[C@@H](CC)C(=O)[O-])cc1 ZINC000737194457 600388797 /nfs/dbraw/zinc/38/87/97/600388797.db2.gz JMHBOBQFMTZXHO-KRWDZBQOSA-N -1 0 327.380 3.595 20 0 EHADRM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)CCSCC(=O)[O-])cc1 ZINC000738584609 600391144 /nfs/dbraw/zinc/39/11/44/600391144.db2.gz ZNZIKYNGNYNMOA-KDOFPFPSSA-N -1 0 335.469 3.503 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCc2cc3ccccc3o2)c(F)c1 ZINC000739435510 600397785 /nfs/dbraw/zinc/39/77/85/600397785.db2.gz FKYBQNYTJBVOGO-UHFFFAOYSA-N -1 0 328.299 3.592 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCCSCc2ccccc2)c(F)c1 ZINC000739428432 600397944 /nfs/dbraw/zinc/39/79/44/600397944.db2.gz CBQXXNHKBHRXKI-UHFFFAOYSA-N -1 0 348.399 3.579 20 0 EHADRM O=C([O-])[C@@H](c1ccccc1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000517381389 600403312 /nfs/dbraw/zinc/40/33/12/600403312.db2.gz JSPQMTCKPLVWQQ-DLBZAZTESA-N -1 0 349.789 3.678 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCc3ccccc32)c(OC(F)F)c1 ZINC000740149863 600405292 /nfs/dbraw/zinc/40/52/92/600405292.db2.gz DPUISIIPBCHKQL-UHFFFAOYSA-N -1 0 348.305 3.581 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NC2CCCCCC2)c(OC(F)F)c1 ZINC000739468454 600406932 /nfs/dbraw/zinc/40/69/32/600406932.db2.gz MWKBHTYMOOYXPJ-UHFFFAOYSA-N -1 0 342.342 3.831 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)[C@H](C)CC1CCCC1)C(=O)[O-] ZINC000237653123 600407571 /nfs/dbraw/zinc/40/75/71/600407571.db2.gz LUTXIFOAEKANFE-HZPDHXFCSA-N -1 0 331.456 3.952 20 0 EHADRM C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736787264 600408279 /nfs/dbraw/zinc/40/82/79/600408279.db2.gz YIZPARWZZFOFKA-ONGXEEELSA-N -1 0 342.342 3.686 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)CNc2cccc(Cl)c2)ccc1F ZINC000740006276 600414282 /nfs/dbraw/zinc/41/42/82/600414282.db2.gz UKIFSOHDDPXNBA-UHFFFAOYSA-N -1 0 337.738 3.620 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)/C=C\c1cccc(OC2CCCC2)c1 ZINC000736314152 600414922 /nfs/dbraw/zinc/41/49/22/600414922.db2.gz CDPDXDOJHSILBE-KHPPLWFESA-N -1 0 345.439 3.781 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NC(C)(C)CCC(=O)[O-])c1 ZINC000236733817 600418047 /nfs/dbraw/zinc/41/80/47/600418047.db2.gz FKNNQXYMBLIPCZ-AWEZNQCLSA-N -1 0 335.444 3.645 20 0 EHADRM C[C@@H](Cc1ccccc1)C(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000736628145 600426319 /nfs/dbraw/zinc/42/63/19/600426319.db2.gz WJAVTTLFYSLSNE-AWEZNQCLSA-N -1 0 345.826 3.632 20 0 EHADRM CCOC(=O)N(C)c1ccc(N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000737144450 600427535 /nfs/dbraw/zinc/42/75/35/600427535.db2.gz PSPYUOJUVRRROX-MRXNPFEDSA-N -1 0 346.358 3.656 20 0 EHADRM CC1(C)CCC(C)(C)c2cc(C(=O)N3CC[C@@H](C(=O)[O-])C3)ccc21 ZINC000236740947 600428662 /nfs/dbraw/zinc/42/86/62/600428662.db2.gz KOWQLDBCUXRRGK-CQSZACIVSA-N -1 0 329.440 3.582 20 0 EHADRM O=C([O-])c1sc(NCc2ncc(-c3ccccc3)o2)nc1Cl ZINC000740280425 600432040 /nfs/dbraw/zinc/43/20/40/600432040.db2.gz WTOVIAWDFFMNKN-UHFFFAOYSA-N -1 0 335.772 3.762 20 0 EHADRM Cc1ccccc1SCC(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738784257 600443632 /nfs/dbraw/zinc/44/36/32/600443632.db2.gz CAVWMXSERQTXTQ-MRXNPFEDSA-N -1 0 334.368 3.595 20 0 EHADRM CC(C)c1ccccc1OCC(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736523449 600444956 /nfs/dbraw/zinc/44/49/56/600444956.db2.gz QHAXYHCCKWTGEW-GOSISDBHSA-N -1 0 346.354 3.697 20 0 EHADRM O=C([O-])[C@@H](OC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000739217284 600445443 /nfs/dbraw/zinc/44/54/43/600445443.db2.gz YJXWTKFQNUTPSD-VSRBDQBUSA-N -1 0 334.730 3.861 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccc(Cl)cc1F)c1ccc(F)cc1 ZINC000740292961 600446805 /nfs/dbraw/zinc/44/68/05/600446805.db2.gz SPTMWFHQJJCDOY-ZDUSSCGKSA-N -1 0 326.682 3.601 20 0 EHADRM O=C([O-])[C@@H](OC(=O)CCc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000739260123 600449824 /nfs/dbraw/zinc/44/98/24/600449824.db2.gz FOAHGVJSYVLJTQ-INIZCTEOSA-N -1 0 336.746 3.781 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)c2cn3ccccc3n2)s1 ZINC000736293675 600450126 /nfs/dbraw/zinc/45/01/26/600450126.db2.gz FBJIASRGFKRYMT-UHFFFAOYSA-N -1 0 343.408 3.644 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738840687 600451369 /nfs/dbraw/zinc/45/13/69/600451369.db2.gz GYJYNMNBVZKOFL-LBPRGKRZSA-N -1 0 337.372 3.697 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)[C@H]2CSCCS2)s1 ZINC000736293677 600452360 /nfs/dbraw/zinc/45/23/60/600452360.db2.gz FCGFNBALXPKORU-SECBINFHSA-N -1 0 345.511 3.531 20 0 EHADRM CC(C)Oc1cccc(CC(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000736495383 600453740 /nfs/dbraw/zinc/45/37/40/600453740.db2.gz YMQOJHGSVZYVRJ-SFHVURJKSA-N -1 0 346.354 3.525 20 0 EHADRM CC[C@H](NC(=O)N1CCC(CC(=O)[O-])CC1)c1ccc(Cl)s1 ZINC000736914342 600457327 /nfs/dbraw/zinc/45/73/27/600457327.db2.gz QLGXETYPNPXVFB-NSHDSACASA-N -1 0 344.864 3.749 20 0 EHADRM Cc1ccc2[nH]c(C(=O)O[C@H](C(=O)[O-])c3ccc(F)cc3)cc2c1C ZINC000738668085 600457609 /nfs/dbraw/zinc/45/76/09/600457609.db2.gz XSUZEFKQRZPJNG-KRWDZBQOSA-N -1 0 341.338 3.907 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738756185 600457944 /nfs/dbraw/zinc/45/79/44/600457944.db2.gz IBWDOCDGGFDGMM-UGSOOPFHSA-N -1 0 330.355 3.997 20 0 EHADRM CC[C@H](OC(=O)CCc1ccc(C(=O)[O-])cc1)C(=O)c1ccccc1 ZINC000736928540 600466021 /nfs/dbraw/zinc/46/60/21/600466021.db2.gz UVSHYWDFETXCJE-KRWDZBQOSA-N -1 0 340.375 3.522 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=S)NC2CCCCC2)cc1 ZINC000739687548 600476159 /nfs/dbraw/zinc/47/61/59/600476159.db2.gz OHXHLARIEFVCAC-UHFFFAOYSA-N -1 0 336.457 3.549 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCC(=O)c2cccs2)cc1Cl ZINC000192851126 600477199 /nfs/dbraw/zinc/47/71/99/600477199.db2.gz BMSNLBOLMWOUDS-UHFFFAOYSA-N -1 0 337.784 3.701 20 0 EHADRM C[C@H](Oc1cccc(F)c1)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000237670185 600477852 /nfs/dbraw/zinc/47/78/52/600477852.db2.gz WUZONCDBBIJPHK-VIFPVBQESA-N -1 0 337.734 3.583 20 0 EHADRM CC(C)[C@H](SCc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000236602395 600477928 /nfs/dbraw/zinc/47/79/28/600477928.db2.gz VGKZPZWSASTPRB-INIZCTEOSA-N -1 0 347.436 3.552 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)C2(c3cccc(Cl)c3)CCCC2)o1 ZINC000262123026 600480136 /nfs/dbraw/zinc/48/01/36/600480136.db2.gz IXKQCXXHLQLQCI-UHFFFAOYSA-N -1 0 347.798 3.759 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)Cc2cccc(Cl)c2)cc1 ZINC000238002342 600481495 /nfs/dbraw/zinc/48/14/95/600481495.db2.gz FOBXHSUVVPGXKF-UHFFFAOYSA-N -1 0 347.798 3.765 20 0 EHADRM C[C@H]1CCC[C@H](CC(=O)NCc2ccc(OCCCC(=O)[O-])cc2)C1 ZINC000237536243 600482194 /nfs/dbraw/zinc/48/21/94/600482194.db2.gz JLAINUMVENEHGB-RDJZCZTQSA-N -1 0 347.455 3.763 20 0 EHADRM Cc1ccc([C@@H](C)CNC(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000738550000 600482938 /nfs/dbraw/zinc/48/29/38/600482938.db2.gz ADIPIOJRORHSET-HNNXBMFYSA-N -1 0 340.423 3.937 20 0 EHADRM C[C@H]1CCCC[C@H]1CC(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000537370843 600483605 /nfs/dbraw/zinc/48/36/05/600483605.db2.gz QBICUVQNJBQTGO-RDJZCZTQSA-N -1 0 347.455 3.763 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)Nc2ccc(CNC(=O)[O-])cc2)s1 ZINC000738589494 600483952 /nfs/dbraw/zinc/48/39/52/600483952.db2.gz OGZGDMFIZABMFA-LLVKDONJSA-N -1 0 347.440 3.577 20 0 EHADRM Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1ccc(C(=O)[O-])nc1 ZINC000602025382 600484106 /nfs/dbraw/zinc/48/41/06/600484106.db2.gz ZKDLGNHCHBIHSL-QGZVFWFLSA-N -1 0 326.396 3.605 20 0 EHADRM CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1nc(Cl)c(C(=O)[O-])s1 ZINC000736249600 600488386 /nfs/dbraw/zinc/48/83/86/600488386.db2.gz HRUVOCLCAYYXIJ-PSASIEDQSA-N -1 0 332.853 3.748 20 0 EHADRM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)NCCCCCCC(=O)[O-])C1 ZINC000738319912 600490378 /nfs/dbraw/zinc/49/03/78/600490378.db2.gz HWQIYKBWXBUVLA-IRXDYDNUSA-N -1 0 346.471 3.918 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)N[C@H](c2ccccc2)C2CCCCC2)C1 ZINC000739574257 600490446 /nfs/dbraw/zinc/49/04/46/600490446.db2.gz ZLSJTXRWPBOKDQ-QZTJIDSGSA-N -1 0 344.455 3.814 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])s1)c1nc2ccccc2s1 ZINC000736653165 600492228 /nfs/dbraw/zinc/49/22/28/600492228.db2.gz TZONHKXGFAAHHG-QMMMGPOBSA-N -1 0 332.406 3.547 20 0 EHADRM Cc1cc(COC(=O)c2ccccc2OC2CCC2)oc1C(=O)[O-] ZINC000738395261 600505145 /nfs/dbraw/zinc/50/51/45/600505145.db2.gz QAIFLODQOLJYNB-UHFFFAOYSA-N -1 0 330.336 3.575 20 0 EHADRM CCOc1cccc(CNC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000737210872 600515133 /nfs/dbraw/zinc/51/51/33/600515133.db2.gz MUZQJMVXCISWAK-UHFFFAOYSA-N -1 0 348.786 3.759 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000391327108 600516361 /nfs/dbraw/zinc/51/63/61/600516361.db2.gz JZDPIGPUBBWSGJ-LLVKDONJSA-N -1 0 332.787 3.963 20 0 EHADRM CC(C)c1cnc(SCC(=O)c2cc(C(=O)[O-])co2)n1C(C)C ZINC000736523976 600516914 /nfs/dbraw/zinc/51/69/14/600516914.db2.gz WMNHRQFASITZHR-UHFFFAOYSA-N -1 0 336.413 3.854 20 0 EHADRM CC(C)(C)[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000675987439 600520882 /nfs/dbraw/zinc/52/08/82/600520882.db2.gz XLQNKPLZROVVDR-GOSISDBHSA-N -1 0 325.408 3.512 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000675987440 600520979 /nfs/dbraw/zinc/52/09/79/600520979.db2.gz XLQNKPLZROVVDR-SFHVURJKSA-N -1 0 325.408 3.512 20 0 EHADRM Cc1nc(NC(=O)[C@H](Cc2ccccc2)C(C)C)sc1C(=O)[O-] ZINC000738358309 600521984 /nfs/dbraw/zinc/52/19/84/600521984.db2.gz AJZKOGYEIHONHQ-CYBMUJFWSA-N -1 0 332.425 3.603 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)CC(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000675987243 600522339 /nfs/dbraw/zinc/52/23/39/600522339.db2.gz UQCXXNZXAUPQNG-IBGZPJMESA-N -1 0 339.435 3.824 20 0 EHADRM CCN(C(=O)CCOc1cccc(C)c1C)c1ccccc1C(=O)[O-] ZINC000737053497 600523105 /nfs/dbraw/zinc/52/31/05/600523105.db2.gz QVZXJLNEOZNBEJ-UHFFFAOYSA-N -1 0 341.407 3.824 20 0 EHADRM CS[C@H](C(=O)Nc1ccc(F)c(NC(=O)[O-])c1)c1ccccc1 ZINC000738181244 600526695 /nfs/dbraw/zinc/52/66/95/600526695.db2.gz IEZYHEYKEOMCNS-AWEZNQCLSA-N -1 0 334.372 3.958 20 0 EHADRM CS[C@H](C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)c1ccccc1 ZINC000738181703 600527999 /nfs/dbraw/zinc/52/79/99/600527999.db2.gz NZYSLSOEUVSKIL-INIZCTEOSA-N -1 0 344.436 3.839 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000736242311 600530301 /nfs/dbraw/zinc/53/03/01/600530301.db2.gz IMGWHTOFPTVTBC-ZDUSSCGKSA-N -1 0 332.227 3.542 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N[C@H]2CCCC[C@H]2c2ccccc2)o1 ZINC000739437400 600530501 /nfs/dbraw/zinc/53/05/01/600530501.db2.gz HLTKFFWCHBMUPY-HOTGVXAUSA-N -1 0 342.395 3.503 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC000675982981 600531155 /nfs/dbraw/zinc/53/11/55/600531155.db2.gz FHFPNOZVFDKFJX-CQSZACIVSA-N -1 0 335.787 3.829 20 0 EHADRM CC(C)(C)[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000675985978 600532911 /nfs/dbraw/zinc/53/29/11/600532911.db2.gz VMLRMJDITCHZCD-DMDPSCGWSA-N -1 0 344.238 3.712 20 0 EHADRM C[C@H]1CCC[C@H](OCC(=O)Oc2ccc(Cl)cc2C(=O)[O-])C1 ZINC000736781864 600534359 /nfs/dbraw/zinc/53/43/59/600534359.db2.gz SQBCATYXGMUJMJ-JQWIXIFHSA-N -1 0 326.776 3.539 20 0 EHADRM CC(C)(CCCc1ccccc1)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000262490423 600537110 /nfs/dbraw/zinc/53/71/10/600537110.db2.gz WLOMZJRBPMBQGM-UHFFFAOYSA-N -1 0 331.456 3.749 20 0 EHADRM Cc1[nH]c(C(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)c(C)c1C(=O)[O-] ZINC000738158972 600538893 /nfs/dbraw/zinc/53/88/93/600538893.db2.gz KDABZMCOMKPSLV-AWEZNQCLSA-N -1 0 348.349 3.585 20 0 EHADRM CC(C)(C)[C@H](NC(=O)NCc1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000736243470 600544795 /nfs/dbraw/zinc/54/47/95/600544795.db2.gz XOLQWEONNGONSD-OAHLLOKOSA-N -1 0 330.384 3.564 20 0 EHADRM Cc1nc(CCC(=O)Oc2cc3ccccc3cc2C(=O)[O-])cs1 ZINC000738855942 600552160 /nfs/dbraw/zinc/55/21/60/600552160.db2.gz ZRIDYVYBXYZIET-UHFFFAOYSA-N -1 0 341.388 3.841 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)CCCc1ccccn1)CCCC2 ZINC000738455518 600552286 /nfs/dbraw/zinc/55/22/86/600552286.db2.gz WGEHZWQKXMDIEQ-UHFFFAOYSA-N -1 0 344.436 3.682 20 0 EHADRM Cc1nc(CCC(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)cs1 ZINC000738852112 600554348 /nfs/dbraw/zinc/55/43/48/600554348.db2.gz SZYSZCPSKZAIJQ-UHFFFAOYSA-N -1 0 348.424 3.508 20 0 EHADRM Cc1nc(-c2cccs2)sc1C(=O)N(CCC(=O)[O-])C(C)C ZINC000236775776 600559039 /nfs/dbraw/zinc/55/90/39/600559039.db2.gz YFMYYQFPEMFYBR-UHFFFAOYSA-N -1 0 338.454 3.505 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000236751940 600559797 /nfs/dbraw/zinc/55/97/97/600559797.db2.gz UKWARILPYJWMMO-MSOLQXFVSA-N -1 0 325.408 3.655 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000236742588 600561978 /nfs/dbraw/zinc/56/19/78/600561978.db2.gz ZLYWSKXOEVYNCA-NSHDSACASA-N -1 0 346.254 3.884 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N[C@H]1CCc2c1cccc2Cl ZINC000740048128 600574654 /nfs/dbraw/zinc/57/46/54/600574654.db2.gz YSLXCSGZKBNQBZ-HNNXBMFYSA-N -1 0 330.771 3.847 20 0 EHADRM COc1cc(-c2nc(CS[C@@H](C)CC(=O)[O-])cs2)ccc1O ZINC000737845427 600583150 /nfs/dbraw/zinc/58/31/50/600583150.db2.gz IMFGUIVHFLFSOR-VIFPVBQESA-N -1 0 339.438 3.621 20 0 EHADRM C[C@@H](CC(=O)[O-])SCC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000736553719 600586063 /nfs/dbraw/zinc/58/60/63/600586063.db2.gz SZQUZUXIRHPBQQ-STQMWFEESA-N -1 0 331.437 3.613 20 0 EHADRM CCc1[nH]c(C(=O)N2CCCc3cccc(CC)c32)c(C)c1C(=O)[O-] ZINC000737272666 600587573 /nfs/dbraw/zinc/58/75/73/600587573.db2.gz QJAIVFWZBYQHBX-UHFFFAOYSA-N -1 0 340.423 3.739 20 0 EHADRM CC[C@](NC(=O)c1cc2occc2s1)(C(=O)[O-])c1ccccc1 ZINC000736917743 600587713 /nfs/dbraw/zinc/58/77/13/600587713.db2.gz YZVHVCORHKUESV-QGZVFWFLSA-N -1 0 329.377 3.614 20 0 EHADRM CN(Cc1ccc(NC(=O)C2(c3ccccc3F)CC2)cc1)C(=O)[O-] ZINC000737477687 600588923 /nfs/dbraw/zinc/58/89/23/600588923.db2.gz JVGIUVMOTMKGLK-UHFFFAOYSA-N -1 0 342.370 3.606 20 0 EHADRM C[C@H](CC(=O)[O-])S[C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000736554082 600592206 /nfs/dbraw/zinc/59/22/06/600592206.db2.gz WRSGMNAQJPZRFN-MGPQQGTHSA-N -1 0 349.496 3.728 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000738253884 600593831 /nfs/dbraw/zinc/59/38/31/600593831.db2.gz SOHJHOPVZKDDQU-INIZCTEOSA-N -1 0 337.375 3.948 20 0 EHADRM C[C@H](CC(=O)[O-])SCCC(=O)Nc1cc(Cl)ccc1Cl ZINC000090097010 600594112 /nfs/dbraw/zinc/59/41/12/600594112.db2.gz KJZBEIGTNHJJJA-MRVPVSSYSA-N -1 0 336.240 3.918 20 0 EHADRM C[C@@H](CC(=O)[O-])SCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000736550466 600594399 /nfs/dbraw/zinc/59/43/99/600594399.db2.gz FCGRUSZXNHISNC-YVEFUNNKSA-N -1 0 349.477 3.550 20 0 EHADRM CC(C)Cn1cc(C(=O)N(CCC(=O)[O-])C(C)C)c2ccccc21 ZINC000362313374 600596688 /nfs/dbraw/zinc/59/66/88/600596688.db2.gz SXPONUMUZBIWBN-UHFFFAOYSA-N -1 0 330.428 3.623 20 0 EHADRM Cc1ccc(SCCC(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000738667913 600597812 /nfs/dbraw/zinc/59/78/12/600597812.db2.gz LEKUXXZUEVGYGE-GOSISDBHSA-N -1 0 343.448 3.762 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)C1CCCCC1)Cc1cccc2ccccc21 ZINC000486396103 600598473 /nfs/dbraw/zinc/59/84/73/600598473.db2.gz PHXRXMJOLJXVLW-GOSISDBHSA-N -1 0 339.435 3.780 20 0 EHADRM C[C@@H](CSC[C@@H](O)COc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000736614173 600598777 /nfs/dbraw/zinc/59/87/77/600598777.db2.gz TWTGBHOCQWAEAE-YOEHRIQHSA-N -1 0 346.448 3.547 20 0 EHADRM CC(C)[C@H](SC[C@H](C)C(=O)[O-])C(=O)NC1CCCCCCC1 ZINC000736606792 600600163 /nfs/dbraw/zinc/60/01/63/600600163.db2.gz IIGWBKICOUGWIR-ZFWWWQNUSA-N -1 0 329.506 3.694 20 0 EHADRM CC[C@H](CC(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000736891864 600600594 /nfs/dbraw/zinc/60/05/94/600600594.db2.gz HITHEPMXQMTSAW-DNVCBOLYSA-N -1 0 325.408 3.855 20 0 EHADRM C[C@H](CC(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1F ZINC000736544744 600601530 /nfs/dbraw/zinc/60/15/30/600601530.db2.gz KVNRLFZVXOBZTC-FZKQIMNGSA-N -1 0 329.371 3.604 20 0 EHADRM CCC[C@H](C)C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000262710374 600602533 /nfs/dbraw/zinc/60/25/33/600602533.db2.gz FGHBJNXDCIEVDN-WMLDXEAASA-N -1 0 327.424 3.636 20 0 EHADRM O=C([O-])CN(C(=O)c1ccnc(Oc2ccccc2)c1)c1ccccc1 ZINC000533573285 600603415 /nfs/dbraw/zinc/60/34/15/600603415.db2.gz QGFNDVLAQLULHR-UHFFFAOYSA-N -1 0 348.358 3.605 20 0 EHADRM C[C@@H](CSCC(=O)N[C@H](c1ccccc1)C1CCCCC1)C(=O)[O-] ZINC000736614442 600604974 /nfs/dbraw/zinc/60/49/74/600604974.db2.gz CPOXTADUTRDYBI-KBXCAEBGSA-N -1 0 349.496 3.878 20 0 EHADRM COc1cc2ccccc2cc1C(=O)N(CC(=O)[O-])c1ccccc1 ZINC000737907756 600606385 /nfs/dbraw/zinc/60/63/85/600606385.db2.gz QHCTTYCGJYVGOU-UHFFFAOYSA-N -1 0 335.359 3.580 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1cccs1)Cc1ccc2ccccc2c1 ZINC000486370813 600607082 /nfs/dbraw/zinc/60/70/82/600607082.db2.gz IQOKOUVFMDWJQS-INIZCTEOSA-N -1 0 339.416 3.575 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC000237522391 600616552 /nfs/dbraw/zinc/61/65/52/600616552.db2.gz KKRCEHKFOGQQTL-JDNHERCYSA-N -1 0 344.238 3.542 20 0 EHADRM CCOc1cc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)ccc1C ZINC000139471930 600618062 /nfs/dbraw/zinc/61/80/62/600618062.db2.gz DHHLYISMFZGKKJ-KRWDZBQOSA-N -1 0 341.407 3.730 20 0 EHADRM Cc1csc(-c2cccc(C(=O)OCc3cc(C(=O)[O-])co3)c2)n1 ZINC000738814445 600621912 /nfs/dbraw/zinc/62/19/12/600621912.db2.gz RDGQVYXRCTWYJM-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM Cc1ccc(OCC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1C ZINC000391391178 600624768 /nfs/dbraw/zinc/62/47/68/600624768.db2.gz RGESJSBHULTZBB-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N(CC3CC3)CC3CC3)c12 ZINC000738858501 600625352 /nfs/dbraw/zinc/62/53/52/600625352.db2.gz CVQVZVOCOLADJC-UHFFFAOYSA-N -1 0 331.441 3.633 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2cncc3ccccc32)c1 ZINC000740072428 600625928 /nfs/dbraw/zinc/62/59/28/600625928.db2.gz OJUAOFYLRMDKEW-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM Cc1nc2sc3c(c2c(SC[C@H](C)C(=O)[O-])n1)CC[C@H](C)C3 ZINC000738869307 600626179 /nfs/dbraw/zinc/62/61/79/600626179.db2.gz JMMQJAMMJKJAHW-IUCAKERBSA-N -1 0 336.482 3.937 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NC2(c3cccc(F)c3)CC2)cc1Cl ZINC000739465057 600626773 /nfs/dbraw/zinc/62/67/73/600626773.db2.gz NRPQJPMHTNQPRS-UHFFFAOYSA-N -1 0 348.761 3.988 20 0 EHADRM CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)c1cccc(C(=O)[O-])n1 ZINC000345829115 600634458 /nfs/dbraw/zinc/63/44/58/600634458.db2.gz USZAJSYZSPLVCP-INIZCTEOSA-N -1 0 346.814 3.903 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000738195434 600644982 /nfs/dbraw/zinc/64/49/82/600644982.db2.gz QFTPCAQXTJBKPW-CQSZACIVSA-N -1 0 335.425 3.525 20 0 EHADRM CCN(C(=O)[C@@H](C)Cc1ccc(F)cc1)c1ccccc1C(=O)[O-] ZINC000737050253 600647502 /nfs/dbraw/zinc/64/75/02/600647502.db2.gz KMAONKVVWMTHFD-ZDUSSCGKSA-N -1 0 329.371 3.756 20 0 EHADRM CCN(C(=O)Cc1cc(Cl)ccc1OC)c1ccccc1C(=O)[O-] ZINC000737059387 600647561 /nfs/dbraw/zinc/64/75/61/600647561.db2.gz AVFIDCHUSOTEDI-UHFFFAOYSA-N -1 0 347.798 3.642 20 0 EHADRM C[C@@H]1CCC[C@@H](CCNC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000391575492 600647762 /nfs/dbraw/zinc/64/77/62/600647762.db2.gz PGXMDLWWZLPZKR-CABCVRRESA-N -1 0 332.444 3.743 20 0 EHADRM C[C@H](CC(=O)O[C@@H](C(=O)[O-])c1ccccc1F)c1ccccc1F ZINC000827391603 600656735 /nfs/dbraw/zinc/65/67/35/600656735.db2.gz GUPQXBBIKSDPDI-PIGZYNQJSA-N -1 0 334.318 3.828 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NCC2(c3ccc(F)cc3)CCCC2)C1 ZINC000179969065 600657398 /nfs/dbraw/zinc/65/73/98/600657398.db2.gz QAQLHNJDWGHVGU-LSDHHAIUSA-N -1 0 347.430 3.645 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)c2)oc1C ZINC000179976202 600658738 /nfs/dbraw/zinc/65/87/38/600658738.db2.gz DMCKDRQFSPEDIW-ZFWWWQNUSA-N -1 0 342.395 3.788 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000832589528 600660382 /nfs/dbraw/zinc/66/03/82/600660382.db2.gz QJKUBOWVFCSAFV-SGTLLEGYSA-N -1 0 346.354 3.697 20 0 EHADRM CC(C)c1ccc([C@H]2C[C@H]2C(=O)OCc2ccc(C(=O)[O-])o2)cc1 ZINC000736512281 600660626 /nfs/dbraw/zinc/66/06/26/600660626.db2.gz GYPMTALBIUCZRO-HZPDHXFCSA-N -1 0 328.364 3.948 20 0 EHADRM CCCN(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)[C@H]1CCc2ccccc2C1 ZINC000499196897 600660708 /nfs/dbraw/zinc/66/07/08/600660708.db2.gz SJQGSQBZHQAJPI-QYZOEREBSA-N -1 0 343.467 3.674 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H]2Cc2ccccc2Cl)C1 ZINC000245758643 600660842 /nfs/dbraw/zinc/66/08/42/600660842.db2.gz VFCLSZDUUHYPAU-BZUAXINKSA-N -1 0 349.858 3.765 20 0 EHADRM CC/C(=C/C(=O)O[C@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000828550789 600661500 /nfs/dbraw/zinc/66/15/00/600661500.db2.gz YGFMFADEACMZON-SQVRQVGWSA-N -1 0 328.339 3.988 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N(CCc2ccccc2)C2CCCC2)C1 ZINC000498636249 600665429 /nfs/dbraw/zinc/66/54/29/600665429.db2.gz AESXDSCIPCKSRP-MSOLQXFVSA-N -1 0 343.467 3.891 20 0 EHADRM CCCCc1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000315722062 600670418 /nfs/dbraw/zinc/67/04/18/600670418.db2.gz SDCXQXNZWALFJM-UHFFFAOYSA-N -1 0 339.438 3.590 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)Oc1ccccc1CC(=O)[O-] ZINC000736890828 600675816 /nfs/dbraw/zinc/67/58/16/600675816.db2.gz IEMBJPODSMVKOP-CQSZACIVSA-N -1 0 342.391 3.812 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NCc1nccn1CC(F)(F)F ZINC000740097639 600677311 /nfs/dbraw/zinc/67/73/11/600677311.db2.gz OCUBFVBOSXTCCN-UHFFFAOYSA-N -1 0 349.312 3.909 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1cc(Oc2ccccc2)ccc1O ZINC000739668171 600683798 /nfs/dbraw/zinc/68/37/98/600683798.db2.gz DECZJQSDVPHPJM-UHFFFAOYSA-N -1 0 343.379 3.559 20 0 EHADRM CCc1ccccc1CNC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000237004680 600689864 /nfs/dbraw/zinc/68/98/64/600689864.db2.gz DNRZIVSYCPDHJT-ZDUSSCGKSA-N -1 0 343.448 3.744 20 0 EHADRM CC[C@@H]1CCC[C@H](NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])C1 ZINC000262041313 600691180 /nfs/dbraw/zinc/69/11/80/600691180.db2.gz AINKFSXXQYNBDF-MCIONIFRSA-N -1 0 335.469 3.950 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(F)cc2OCC2CC2)cc1 ZINC000238041957 600692220 /nfs/dbraw/zinc/69/22/20/600692220.db2.gz WABXQPBOWUCEOU-UHFFFAOYSA-N -1 0 329.327 3.565 20 0 EHADRM C[C@H](Oc1ccc(F)cc1)c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000827890749 600692296 /nfs/dbraw/zinc/69/22/96/600692296.db2.gz ZCGMCKNNSBHLBG-JTQLQIEISA-N -1 0 328.299 3.714 20 0 EHADRM C[C@@H](Cc1nc(-c2cccc(C(=O)[O-])c2)no1)c1ccc(F)cc1 ZINC000827597752 600695325 /nfs/dbraw/zinc/69/53/25/600695325.db2.gz YGKARINSFIECFV-NSHDSACASA-N -1 0 326.327 3.920 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC000261634510 600698481 /nfs/dbraw/zinc/69/84/81/600698481.db2.gz IBNQQKIMNMFFSX-UWVGGRQHSA-N -1 0 345.226 3.561 20 0 EHADRM O=C([O-])c1cccc(-c2noc([C@@H]3C[C@H]3c3ccc(F)c(F)c3)n2)c1 ZINC000833327933 600700873 /nfs/dbraw/zinc/70/08/73/600700873.db2.gz MPUYBRDCXATNQM-QWHCGFSZSA-N -1 0 342.301 3.984 20 0 EHADRM O=C([O-])c1sc2ccccc2c1COC(=O)[C@H]1Cc2ccccc21 ZINC000833347410 600706882 /nfs/dbraw/zinc/70/68/82/600706882.db2.gz CLLXKOLUUWCGEX-AWEZNQCLSA-N -1 0 338.384 3.983 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)Oc2ccc(NC(=O)[O-])cc2)c1 ZINC000827134391 600714345 /nfs/dbraw/zinc/71/43/45/600714345.db2.gz XEARXXYPTJSVEF-UHFFFAOYSA-N -1 0 335.381 3.668 20 0 EHADRM O=C([O-])c1sc2ccccc2c1COC(=O)CCC(F)(F)F ZINC000833096299 600716069 /nfs/dbraw/zinc/71/60/69/600716069.db2.gz FCSQQXYJPUOYNW-UHFFFAOYSA-N -1 0 332.299 3.985 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000827427355 600721746 /nfs/dbraw/zinc/72/17/46/600721746.db2.gz GORAVLAZLNQPMB-VXGBXAGGSA-N -1 0 334.343 3.990 20 0 EHADRM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)NCCCCCC(=O)[O-])C1 ZINC000414609642 600722519 /nfs/dbraw/zinc/72/25/19/600722519.db2.gz MHAKJONECBNJOT-XJKSGUPXSA-N -1 0 336.407 3.563 20 0 EHADRM C[C@H]1CCN(C(=O)NCCCCCCC(=O)[O-])[C@@H](c2ccco2)C1 ZINC000828279411 600724951 /nfs/dbraw/zinc/72/49/51/600724951.db2.gz ZQMITJKBDCPPIY-LSDHHAIUSA-N -1 0 336.432 3.797 20 0 EHADRM CC[C@@H](NC(=O)Nc1cccc(C(=O)[O-])c1)c1cc(F)ccc1F ZINC000736914130 600728262 /nfs/dbraw/zinc/72/82/62/600728262.db2.gz MQEORNKEDDZITM-OAHLLOKOSA-N -1 0 334.322 3.936 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)OCc2occc2C(=O)[O-])cc1 ZINC000736512800 600734393 /nfs/dbraw/zinc/73/43/93/600734393.db2.gz NLNGKXPPXVVXDF-HOTGVXAUSA-N -1 0 328.364 3.948 20 0 EHADRM CCOC(=O)Nc1ccc(N[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000829866004 600739382 /nfs/dbraw/zinc/73/93/82/600739382.db2.gz NQKADAIKLMSNCR-HNNXBMFYSA-N -1 0 332.331 3.632 20 0 EHADRM O=C([O-])[C@H](Nc1ccc(OC2CCCC2)nc1)c1ccccc1F ZINC000833170576 600747125 /nfs/dbraw/zinc/74/71/25/600747125.db2.gz QNWFCWROONCCPY-QGZVFWFLSA-N -1 0 330.359 3.780 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)NC2CCC(C(=O)[O-])CC2)C1 ZINC000263471215 600747408 /nfs/dbraw/zinc/74/74/08/600747408.db2.gz LJLJOIQMEDXFGR-WNZJFKNXSA-N -1 0 348.418 3.562 20 0 EHADRM Cc1ccc(CN(C(=O)NC2CCC(C(=O)[O-])CC2)C2CC2)cc1C ZINC000263478029 600750474 /nfs/dbraw/zinc/75/04/74/600750474.db2.gz NEBQSYWDAYBKJJ-UHFFFAOYSA-N -1 0 344.455 3.621 20 0 EHADRM CCO[C@@H]1C[C@H](OC(=O)CCc2ccc(C(=O)[O-])cc2)C12CCCC2 ZINC000737164450 600756110 /nfs/dbraw/zinc/75/61/10/600756110.db2.gz DUCIMWAUKSNDGP-SJORKVTESA-N -1 0 346.423 3.598 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCC2CCC(C(F)(F)F)CC2)cc1 ZINC000833138758 600764323 /nfs/dbraw/zinc/76/43/23/600764323.db2.gz HQZNPFNFHPJCMH-UHFFFAOYSA-N -1 0 344.333 3.875 20 0 EHADRM CC(C)(CC(=O)[O-])NC(=O)CCn1c2ccccc2c2ccccc21 ZINC000736308288 600779284 /nfs/dbraw/zinc/77/92/84/600779284.db2.gz YBKLZEJBCQXKOB-UHFFFAOYSA-N -1 0 338.407 3.554 20 0 EHADRM Cc1ccccc1CC(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000776673573 600798985 /nfs/dbraw/zinc/79/89/85/600798985.db2.gz NFQHMNZVYGHDLK-MRXNPFEDSA-N -1 0 331.799 3.523 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccccc1Cl)c1cccc(Cl)c1 ZINC000776677109 600802983 /nfs/dbraw/zinc/80/29/83/600802983.db2.gz KLZWAZPBGOAGSM-AWEZNQCLSA-N -1 0 338.190 3.939 20 0 EHADRM C[C@H](CS[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1)C(=O)[O-] ZINC000827574706 600805522 /nfs/dbraw/zinc/80/55/22/600805522.db2.gz GAMOOILYNFIASI-BDAKNGLRSA-N -1 0 326.805 3.905 20 0 EHADRM CN(C(=O)OC(C)(C)C)c1ccc(OCc2ccc(C(=O)[O-])o2)cc1 ZINC000830519827 600805541 /nfs/dbraw/zinc/80/55/41/600805541.db2.gz XFEHDRBDVVHDOQ-UHFFFAOYSA-N -1 0 347.367 3.928 20 0 EHADRM Cc1ccccc1-c1noc([C@@H](C)Sc2ncccc2C(=O)[O-])n1 ZINC000832973704 600805804 /nfs/dbraw/zinc/80/58/04/600805804.db2.gz BGGLQIQSJVHDNX-LLVKDONJSA-N -1 0 341.392 3.992 20 0 EHADRM Cc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c1C ZINC000776671754 600807429 /nfs/dbraw/zinc/80/74/29/600807429.db2.gz DEUBIAXPBFPKNP-INIZCTEOSA-N -1 0 331.799 3.903 20 0 EHADRM Cc1cccc([C@H](C)CNC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000738693939 600809083 /nfs/dbraw/zinc/80/90/83/600809083.db2.gz VQCCZQAVKFJRKV-LLVKDONJSA-N -1 0 348.349 3.897 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(Nc2ncnc3cccc(F)c32)cc1 ZINC000826126495 600817736 /nfs/dbraw/zinc/81/77/36/600817736.db2.gz DEUWVROFLSQQCP-UHFFFAOYSA-N -1 0 325.343 3.875 20 0 EHADRM C[C@@H](CS[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1)C(=O)[O-] ZINC000736617535 600819477 /nfs/dbraw/zinc/81/94/77/600819477.db2.gz OEGFNJCTOXJCRR-VHSXEESVSA-N -1 0 340.832 3.829 20 0 EHADRM CCN(Cc1csc(-c2cccc(C(=O)[O-])c2)n1)C[C@@H]1CCCO1 ZINC000568059923 600820329 /nfs/dbraw/zinc/82/03/29/600820329.db2.gz LWFLDJFZLCJULT-INIZCTEOSA-N -1 0 346.452 3.509 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=S)NCc2cccs2)cc1 ZINC000736232164 600820934 /nfs/dbraw/zinc/82/09/34/600820934.db2.gz HIQIAPCPCTYWDT-UHFFFAOYSA-N -1 0 334.466 3.597 20 0 EHADRM COc1ccc(NCc2ncc(-c3ccccc3C)o2)c(C(=O)[O-])c1 ZINC000832413217 600826528 /nfs/dbraw/zinc/82/65/28/600826528.db2.gz KLAHECCYAWTENL-UHFFFAOYSA-N -1 0 338.363 3.969 20 0 EHADRM C[C@@H]1CCC[C@@H](C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC000736772295 600827412 /nfs/dbraw/zinc/82/74/12/600827412.db2.gz AIAYICLNDRUVON-ZIAGYGMSSA-N -1 0 330.428 3.750 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)c(C(=O)[O-])c1 ZINC000544406898 600832529 /nfs/dbraw/zinc/83/25/29/600832529.db2.gz PZNZSCNSKYHOJX-VXGBXAGGSA-N -1 0 331.318 3.714 20 0 EHADRM Cc1ccc(C)c([C@@H]2CN(Cc3occc3C(=O)[O-])[C@H](C)CO2)c1 ZINC000577760737 600835561 /nfs/dbraw/zinc/83/55/61/600835561.db2.gz ONXJNHVNHRUIJZ-KDOFPFPSSA-N -1 0 329.396 3.557 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NC(c2cccs2)c2cccs2)C1 ZINC000180017157 600839866 /nfs/dbraw/zinc/83/98/66/600839866.db2.gz NGMRANOMHXZKKI-VXGBXAGGSA-N -1 0 349.477 3.906 20 0 EHADRM O=C([O-])CCCOc1ccc(CNC(=O)C2CCCCCCC2)cc1 ZINC000191004192 600842466 /nfs/dbraw/zinc/84/24/66/600842466.db2.gz ZCBCBPRCARDBEW-UHFFFAOYSA-N -1 0 347.455 3.907 20 0 EHADRM C[C@H](Sc1nnc(CCc2ccccc2)o1)c1ccc(C(=O)[O-])o1 ZINC000827929051 600845609 /nfs/dbraw/zinc/84/56/09/600845609.db2.gz USXQHQAZTNUBCP-NSHDSACASA-N -1 0 344.392 3.999 20 0 EHADRM CS[C@H](C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21)c1ccccc1 ZINC000738180721 600848249 /nfs/dbraw/zinc/84/82/49/600848249.db2.gz YTXCPYGDVYDGMD-KSSFIOAISA-N -1 0 341.432 3.696 20 0 EHADRM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCCC1CCCC1 ZINC000262080582 600848828 /nfs/dbraw/zinc/84/88/28/600848828.db2.gz AYBKUXUKTJENRA-GOSISDBHSA-N -1 0 342.439 3.640 20 0 EHADRM Cc1[nH]c2ccccc2c1CC(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000738246468 600854375 /nfs/dbraw/zinc/85/43/75/600854375.db2.gz HSXYRPGTMOWDDW-CQSZACIVSA-N -1 0 348.402 3.624 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)CCc2cc(Cl)cs2)c2ccccc21 ZINC000739639718 600856962 /nfs/dbraw/zinc/85/69/62/600856962.db2.gz BSLWEZRZRWPTBP-NSHDSACASA-N -1 0 349.839 3.939 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000540669875 600858818 /nfs/dbraw/zinc/85/88/18/600858818.db2.gz RUVICXLCDSCHFQ-QGTPRVQTSA-N -1 0 347.455 3.717 20 0 EHADRM CC(C)[C@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000236609912 600858855 /nfs/dbraw/zinc/85/88/55/600858855.db2.gz LKEPWLAJGXMAJZ-SFHVURJKSA-N -1 0 325.408 3.783 20 0 EHADRM Cc1ccccc1C(C)(C)C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000738756908 600862296 /nfs/dbraw/zinc/86/22/96/600862296.db2.gz QFBASDHDVNWMQC-HNNXBMFYSA-N -1 0 337.419 3.878 20 0 EHADRM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(C(=O)[O-])cc2)s1 ZINC000575401279 600863642 /nfs/dbraw/zinc/86/36/42/600863642.db2.gz QRFIDOFYDSDSHA-LLVKDONJSA-N -1 0 332.425 3.545 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1cccc(F)c1Cl ZINC000237767210 600864570 /nfs/dbraw/zinc/86/45/70/600864570.db2.gz WFPDXEDGHCAMLI-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)C[C@@H]2CCC[C@H](C)C2)c1OC ZINC000262460638 600875540 /nfs/dbraw/zinc/87/55/40/600875540.db2.gz IKINKGNNBIABII-NWDGAFQWSA-N -1 0 335.400 3.557 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2SCCc3ccccc32)ccc1C(=O)[O-] ZINC000237815842 600876165 /nfs/dbraw/zinc/87/61/65/600876165.db2.gz MZCLRRRDSHLHSF-MRXNPFEDSA-N -1 0 327.405 3.662 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)C1 ZINC000245760733 600883573 /nfs/dbraw/zinc/88/35/73/600883573.db2.gz VNGNEBGVZMLWSZ-LZWOXQAQSA-N -1 0 335.831 3.895 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)o2)cc1 ZINC000737252956 600890480 /nfs/dbraw/zinc/89/04/80/600890480.db2.gz YWLBMJLJJUUNKZ-MRXNPFEDSA-N -1 0 329.396 3.738 20 0 EHADRM Cc1nc(-c2cccc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])c2)cs1 ZINC000262547759 600895285 /nfs/dbraw/zinc/89/52/85/600895285.db2.gz WIXKCQBFKDNWFK-OAHLLOKOSA-N -1 0 346.452 3.595 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N[C@H](c2ccccc2)C2CCCC2)C1 ZINC000245651452 600898806 /nfs/dbraw/zinc/89/88/06/600898806.db2.gz COXCXHYVCYMNMY-KZNAEPCWSA-N -1 0 329.440 3.925 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CSc2ccc3c(c2)CCC3)s1 ZINC000386465299 600902786 /nfs/dbraw/zinc/90/27/86/600902786.db2.gz XJMDNDWNRHFWRH-UHFFFAOYSA-N -1 0 333.434 3.666 20 0 EHADRM Cc1cccc(CN(CC(C)C)C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000832968416 600915626 /nfs/dbraw/zinc/91/56/26/600915626.db2.gz WEUBTBFAMGWWJR-MSOLQXFVSA-N -1 0 331.456 3.871 20 0 EHADRM CC(C)C[C@H](CNC(=O)C1(c2ccc(F)cc2)CCCC1)C(=O)[O-] ZINC000486279917 600922004 /nfs/dbraw/zinc/92/20/04/600922004.db2.gz CYZWBPFOMYRRLY-CQSZACIVSA-N -1 0 335.419 3.501 20 0 EHADRM CCC(CC)(NC(=O)c1sc2ccc(OC)cc2c1C)C(=O)[O-] ZINC000342545063 600923558 /nfs/dbraw/zinc/92/35/58/600923558.db2.gz LEGFIWDPQXCFNN-UHFFFAOYSA-N -1 0 335.425 3.592 20 0 EHADRM CCCc1c(C(=O)NCC(CC)(CC)SC)[nH]c(C)c1C(=O)[O-] ZINC000829556668 600930136 /nfs/dbraw/zinc/93/01/36/600930136.db2.gz QHMTWDBHGQRFSW-UHFFFAOYSA-N -1 0 340.489 3.625 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N(C)CCc1cccs1)C(=O)[O-] ZINC000192971799 600930424 /nfs/dbraw/zinc/93/04/24/600930424.db2.gz CTOCMUOGXGBGJE-GFCCVEGCSA-N -1 0 349.477 3.628 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000179999097 600931569 /nfs/dbraw/zinc/93/15/69/600931569.db2.gz SLYMAWPSINNDGW-QEJZJMRPSA-N -1 0 335.469 3.867 20 0 EHADRM C[C@@H](CNC(=O)c1ccccc1NC(=O)[O-])Oc1ccc(Cl)cc1 ZINC000827497259 600933774 /nfs/dbraw/zinc/93/37/74/600933774.db2.gz MKYOTAQBJRYJFU-NSHDSACASA-N -1 0 348.786 3.627 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2nccc3ccccc32)cc1 ZINC000327129885 600934088 /nfs/dbraw/zinc/93/40/88/600934088.db2.gz AABFJYHWNNQZMB-UHFFFAOYSA-N -1 0 334.375 3.849 20 0 EHADRM CC(C)c1nn(C)c2sc(C(=O)Oc3ccccc3C(=O)[O-])cc12 ZINC000827164488 600937583 /nfs/dbraw/zinc/93/75/83/600937583.db2.gz WCWYJOLJQORVPH-UHFFFAOYSA-N -1 0 344.392 3.676 20 0 EHADRM O=C([O-])CCN(C(=O)CCCc1cccs1)c1cccc(F)c1 ZINC000739709990 600938234 /nfs/dbraw/zinc/93/82/34/600938234.db2.gz AKERPJHMLJPSJY-UHFFFAOYSA-N -1 0 335.400 3.718 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OC(=O)CCC(=O)c1ccccc1 ZINC000833096938 600940746 /nfs/dbraw/zinc/94/07/46/600940746.db2.gz ZLFIZUXHOILBDW-UHFFFAOYSA-N -1 0 332.739 3.607 20 0 EHADRM Cn1c(C(=O)Oc2cccc(CC(=O)[O-])c2)ccc1-c1ccccc1 ZINC000833038370 600947000 /nfs/dbraw/zinc/94/70/00/600947000.db2.gz DJCGNYJKKCKPHU-UHFFFAOYSA-N -1 0 335.359 3.538 20 0 EHADRM CC(C)C[C@H](OC(=O)CCC(=O)c1ccc2c(c1)CCCC2)C(=O)[O-] ZINC000826813378 600948989 /nfs/dbraw/zinc/94/89/89/600948989.db2.gz OFBDPPQTSLJCKD-SFHVURJKSA-N -1 0 346.423 3.571 20 0 EHADRM CC(C)C[C@H](OC(=O)c1csc(-c2ccccc2F)n1)C(=O)[O-] ZINC000826818591 600953273 /nfs/dbraw/zinc/95/32/73/600953273.db2.gz BLMGIBGLKUPGBW-ZDUSSCGKSA-N -1 0 337.372 3.605 20 0 EHADRM Cc1nc(C2CCCC2)sc1C(=O)O[C@@H](CC(C)C)C(=O)[O-] ZINC000832996637 600954906 /nfs/dbraw/zinc/95/49/06/600954906.db2.gz AEKBVBHUJBVUNF-LBPRGKRZSA-N -1 0 325.430 3.765 20 0 EHADRM Cc1cccc(-c2noc(CN3C[C@@H](CC(=O)[O-])c4ccccc43)n2)c1 ZINC000738680685 600962954 /nfs/dbraw/zinc/96/29/54/600962954.db2.gz JBJUCRPUSSFBQL-OAHLLOKOSA-N -1 0 349.390 3.624 20 0 EHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)o1 ZINC000180016706 600964472 /nfs/dbraw/zinc/96/44/72/600964472.db2.gz ADVLCFLGIZYISG-JYJNAYRXSA-N -1 0 333.428 3.923 20 0 EHADRM C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CC[C@@H]1c1ccccc1 ZINC000180023838 600971331 /nfs/dbraw/zinc/97/13/31/600971331.db2.gz VXAKKFYYSPUQHW-BGTYHANMSA-N -1 0 329.440 3.530 20 0 EHADRM O=C([O-])Nc1cccc(NC(=S)N[C@H]2CCc3ccccc3C2)c1 ZINC000833289277 600971399 /nfs/dbraw/zinc/97/13/99/600971399.db2.gz JVPGVSWDRKCKGX-INIZCTEOSA-N -1 0 341.436 3.620 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H](CC(C)C)NC(=O)[O-] ZINC000832922619 600982859 /nfs/dbraw/zinc/98/28/59/600982859.db2.gz BSHUZXMSSOXIQR-LBPRGKRZSA-N -1 0 332.322 3.635 20 0 EHADRM O=C([O-])[C@@H](c1ccccc1F)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000571419057 600989316 /nfs/dbraw/zinc/98/93/16/600989316.db2.gz RXSZHIIIDXFQIY-DLBZAZTESA-N -1 0 349.789 3.678 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000094702843 600994160 /nfs/dbraw/zinc/99/41/60/600994160.db2.gz VYDLKTBESMCQSC-SECBINFHSA-N -1 0 333.215 3.862 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000321542650 600995507 /nfs/dbraw/zinc/99/55/07/600995507.db2.gz OHJGOCXNOXQDCQ-JTQLQIEISA-N -1 0 332.322 3.574 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)Nc3ccc(F)cc3C(=O)[O-])c2c1 ZINC000832959099 600995752 /nfs/dbraw/zinc/99/57/52/600995752.db2.gz PHCJCGVCPZQYDH-UHFFFAOYSA-N -1 0 340.354 3.885 20 0 EHADRM CC[C@H]1CN(C(=O)NCCCCCC(=O)[O-])CC[C@H]1c1ccccc1 ZINC000414632083 600996323 /nfs/dbraw/zinc/99/63/23/600996323.db2.gz XGZYSODMFUJXOT-FUHWJXTLSA-N -1 0 346.471 3.857 20 0 EHADRM C[C@@H](C(=O)Nc1cccc(OCC(=O)[O-])c1)c1cccc(Cl)c1 ZINC000537369368 601001996 /nfs/dbraw/zinc/00/19/96/601001996.db2.gz SSEMJLCERYAJAN-LLVKDONJSA-N -1 0 333.771 3.546 20 0 EHADRM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000828123480 601013842 /nfs/dbraw/zinc/01/38/42/601013842.db2.gz VMQCDCUNGJWITB-QAPCUYQASA-N -1 0 344.798 3.890 20 0 EHADRM COc1ccc(NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1F ZINC000327251509 601019319 /nfs/dbraw/zinc/01/93/19/601019319.db2.gz WHNFHMWDQUFEEP-UHFFFAOYSA-N -1 0 346.358 3.841 20 0 EHADRM C[C@@H](CNC(=O)Nc1cccc(NC(=O)[O-])c1)Oc1ccc(F)cc1 ZINC000827492885 601023067 /nfs/dbraw/zinc/02/30/67/601023067.db2.gz INGAHEIVTTYYCS-NSHDSACASA-N -1 0 347.346 3.505 20 0 EHADRM C[C@@H](CNC(=O)Nc1cccc(NC(=O)[O-])c1)c1ccc(F)cc1F ZINC000827493404 601023127 /nfs/dbraw/zinc/02/31/27/601023127.db2.gz SYFXHWRIUIIPCX-JTQLQIEISA-N -1 0 349.337 3.980 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1)Cc1cccs1 ZINC000827487147 601024233 /nfs/dbraw/zinc/02/42/33/601024233.db2.gz VPWPGOLICQZMFC-SNVBAGLBSA-N -1 0 336.388 3.586 20 0 EHADRM CCC(CC)c1cc(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)on1 ZINC000828863036 601026482 /nfs/dbraw/zinc/02/64/82/601026482.db2.gz SHOQUDYMANFYHB-UHFFFAOYSA-N -1 0 349.362 3.737 20 0 EHADRM C[C@@H]1Cc2ccccc2CN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000828516414 601027419 /nfs/dbraw/zinc/02/74/19/601027419.db2.gz LLKMIVDDYFBQRA-LLVKDONJSA-N -1 0 328.343 3.503 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(N(C)C(=O)[O-])cc1)Cc1cccs1 ZINC000827486550 601028961 /nfs/dbraw/zinc/02/89/61/601028961.db2.gz PVIGBWYCCZRIEM-LBPRGKRZSA-N -1 0 347.440 3.863 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cnc3ccsc3c2)cc1 ZINC000584566551 601029167 /nfs/dbraw/zinc/02/91/67/601029167.db2.gz AHPNETWWNVDQIY-UHFFFAOYSA-N -1 0 340.404 3.911 20 0 EHADRM Cc1c(CSC(C)C)cccc1NC(=O)c1ccc(C(=O)[O-])nc1 ZINC000236616174 601029552 /nfs/dbraw/zinc/02/95/52/601029552.db2.gz DKYCKYVTQXYDFX-UHFFFAOYSA-N -1 0 344.436 3.982 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])c1 ZINC000391664765 601029853 /nfs/dbraw/zinc/02/98/53/601029853.db2.gz MCEUNDIFHWHLAO-KGLIPLIRSA-N -1 0 336.432 3.732 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000830514116 601030128 /nfs/dbraw/zinc/03/01/28/601030128.db2.gz NEZDGDZDNLXCMG-HZPDHXFCSA-N -1 0 331.416 3.891 20 0 EHADRM CCSCC[C@@H](C)N(C)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000830164046 601030346 /nfs/dbraw/zinc/03/03/46/601030346.db2.gz NUWDKSVDJMCMLY-GFCCVEGCSA-N -1 0 339.461 3.796 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(Br)c(F)c2)cc1 ZINC000088085119 601031992 /nfs/dbraw/zinc/03/19/92/601031992.db2.gz CXGJKXVGEVISMJ-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM CC(C)[C@H]1CN(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)CCS1 ZINC000826741702 601037132 /nfs/dbraw/zinc/03/71/32/601037132.db2.gz LZNNIEJNFUSHTR-CYBMUJFWSA-N -1 0 341.408 3.521 20 0 EHADRM O=C([O-])c1cnc(N(C(=O)c2csc3ccccc23)C2CC2)s1 ZINC000740257591 601038807 /nfs/dbraw/zinc/03/88/07/601038807.db2.gz ABBAPDXAWDCUFU-UHFFFAOYSA-N -1 0 344.417 3.865 20 0 EHADRM O=C([O-])COc1cccc(C(=O)N2CCCCCc3ccccc32)c1 ZINC000262065762 601042354 /nfs/dbraw/zinc/04/23/54/601042354.db2.gz DOSBORLHIABVRT-UHFFFAOYSA-N -1 0 339.391 3.523 20 0 EHADRM C[C@]1(c2ccccc2)C[C@H]1NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000828121033 601045952 /nfs/dbraw/zinc/04/59/52/601045952.db2.gz BGHIKWBZBPXGJB-YLJYHZDGSA-N -1 0 338.407 3.556 20 0 EHADRM Cc1ccc(CCC(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])o1 ZINC000832930979 601057075 /nfs/dbraw/zinc/05/70/75/601057075.db2.gz TWKPLSKCFGDOID-UHFFFAOYSA-N -1 0 341.285 3.876 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)CCc2ccc(C)o2)cc1 ZINC000237357021 601058359 /nfs/dbraw/zinc/05/83/59/601058359.db2.gz XMPGLJPDWPXFBL-INIZCTEOSA-N -1 0 347.436 3.575 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccc(F)cc1Cl)c1ccccc1F ZINC000833351455 601061618 /nfs/dbraw/zinc/06/16/18/601061618.db2.gz MDJCLFIXXSOMKG-ZDUSSCGKSA-N -1 0 326.682 3.601 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1c(F)cccc1Cl)c1ccccc1F ZINC000833351185 601063385 /nfs/dbraw/zinc/06/33/85/601063385.db2.gz NWVSKNCFQQJCPN-ZDUSSCGKSA-N -1 0 326.682 3.601 20 0 EHADRM Cc1cccc(C)c1NCC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000738687854 601063822 /nfs/dbraw/zinc/06/38/22/601063822.db2.gz CWMXWZMSOOHFEQ-UHFFFAOYSA-N -1 0 332.787 3.706 20 0 EHADRM O=C([O-])c1cccc(-c2nc(COC(=O)c3ccccc3)cs2)c1 ZINC000833327037 601065214 /nfs/dbraw/zinc/06/52/14/601065214.db2.gz ZXFHWIPOONUCEL-UHFFFAOYSA-N -1 0 339.372 3.865 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2SCCc3sccc32)cc1C(=O)[O-] ZINC000237697312 601065694 /nfs/dbraw/zinc/06/56/94/601065694.db2.gz GPQWPEJAHGGGIX-CQSZACIVSA-N -1 0 333.434 3.724 20 0 EHADRM COc1nc(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc2ccccc21 ZINC000832650095 601066143 /nfs/dbraw/zinc/06/61/43/601066143.db2.gz ZWLOIIGGGLZSEF-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM CC/C(=C/C(=O)NCc1ccc(C(=O)[O-])o1)c1cccc(Cl)c1 ZINC000828549731 601067575 /nfs/dbraw/zinc/06/75/75/601067575.db2.gz PCTKUUOSLZAVFN-LUAWRHEFSA-N -1 0 333.771 3.741 20 0 EHADRM Cc1ccc2c(CCC(=O)N3C[C@@H](C(=O)[O-])c4ccccc43)c[nH]c2c1 ZINC000832959800 601067855 /nfs/dbraw/zinc/06/78/55/601067855.db2.gz JUIQXTSZUAOLOF-QGZVFWFLSA-N -1 0 348.402 3.624 20 0 EHADRM Cc1cc(C)c(/C=C/C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cc1C ZINC000738355435 601071755 /nfs/dbraw/zinc/07/17/55/601071755.db2.gz ITBHDODIGCXPNE-JBVUFVISSA-N -1 0 337.419 3.610 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1occc1-c1ccccc1)c1ccccc1 ZINC000327344737 601072207 /nfs/dbraw/zinc/07/22/07/601072207.db2.gz KHNYASRLINTIJS-KRWDZBQOSA-N -1 0 335.359 3.545 20 0 EHADRM O=C([O-])c1ccc(C(=O)OCc2ncc(-c3ccccc3F)o2)s1 ZINC000833311703 601072457 /nfs/dbraw/zinc/07/24/57/601072457.db2.gz AHTZBAQQIGMVOH-UHFFFAOYSA-N -1 0 347.323 3.597 20 0 EHADRM CC(C)(C(=O)NC[C@H](C(=O)[O-])c1ccccc1)c1ccccc1Cl ZINC000262141483 601072504 /nfs/dbraw/zinc/07/25/04/601072504.db2.gz KZDWINQTONRKDD-AWEZNQCLSA-N -1 0 345.826 3.602 20 0 EHADRM CCSCc1cccc(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000424382666 601073386 /nfs/dbraw/zinc/07/33/86/601073386.db2.gz ONKSUEKJFLPYAS-CQSZACIVSA-N -1 0 338.473 3.808 20 0 EHADRM Cc1ccc(F)cc1C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC000832934324 601077482 /nfs/dbraw/zinc/07/74/82/601077482.db2.gz MEUNAIMSJIZDOC-UHFFFAOYSA-N -1 0 336.388 3.839 20 0 EHADRM O=C([O-])[C@H](OC(=O)CCc1ccc(Cl)cc1)c1ccccc1F ZINC000833102152 601077818 /nfs/dbraw/zinc/07/78/18/601077818.db2.gz DVKSIAZPASNGKD-MRXNPFEDSA-N -1 0 336.746 3.781 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)[C@@H]1CCc2ccccc21 ZINC000833176110 601080820 /nfs/dbraw/zinc/08/08/20/601080820.db2.gz AUQSUNUTROAJOG-UHOSZYNNSA-N -1 0 341.451 3.598 20 0 EHADRM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000439795343 601085648 /nfs/dbraw/zinc/08/56/48/601085648.db2.gz UEAQNUHKMZWKLE-SJKOYZFVSA-N -1 0 327.355 3.747 20 0 EHADRM Cc1cc(C)cc(C[C@@H](C)NC(=O)c2ccccc2NC(=O)[O-])c1 ZINC000738364450 601086837 /nfs/dbraw/zinc/08/68/37/601086837.db2.gz WIXVSBCAPBBVHN-CQSZACIVSA-N -1 0 326.396 3.754 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N2CC[C@@H](c3ccco3)C2)cc1 ZINC000826118694 601095646 /nfs/dbraw/zinc/09/56/46/601095646.db2.gz SDZPMYZOOOUROT-CYBMUJFWSA-N -1 0 342.395 3.663 20 0 EHADRM Cc1cc(C)cc(OCCC(=O)O[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000832879102 601099248 /nfs/dbraw/zinc/09/92/48/601099248.db2.gz SNOLCTQMMULACN-SFHVURJKSA-N -1 0 346.354 3.581 20 0 EHADRM Cc1cc(NC(=O)NCc2ccc(C(=O)[O-])o2)ccc1C(F)(F)F ZINC000832894537 601100982 /nfs/dbraw/zinc/10/09/82/601100982.db2.gz GXVBUWVJXYBEGZ-UHFFFAOYSA-N -1 0 342.273 3.627 20 0 EHADRM CCc1csc(NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)n1 ZINC000830299058 601102164 /nfs/dbraw/zinc/10/21/64/601102164.db2.gz HWZIQDPGCNXILA-UHFFFAOYSA-N -1 0 333.413 3.712 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NCCc2ccc(Cl)cc2Cl)C1 ZINC000108654877 601125668 /nfs/dbraw/zinc/12/56/68/601125668.db2.gz OODMHAPIJHSNFU-NEPJUHHUSA-N -1 0 344.238 3.543 20 0 EHADRM CN(Cc1ccc2ccccc2c1)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000261694202 601126030 /nfs/dbraw/zinc/12/60/30/601126030.db2.gz NZKISUUZEJDVQF-QZTJIDSGSA-N -1 0 325.408 3.689 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000827042553 601126498 /nfs/dbraw/zinc/12/64/98/601126498.db2.gz URVNMWHDCIKOTQ-GASCZTMLSA-N -1 0 346.427 3.826 20 0 EHADRM CC[C@](C)(NC(=O)Nc1ccc(C)c(C(=O)[O-])c1)c1nc(C)cs1 ZINC000828685654 601136041 /nfs/dbraw/zinc/13/60/41/601136041.db2.gz PTUPNLSCOQJHLQ-KRWDZBQOSA-N -1 0 347.440 3.905 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](C)c2cc(F)ccc2F)cc1C(=O)[O-] ZINC000832946101 601141700 /nfs/dbraw/zinc/14/17/00/601141700.db2.gz KHUXOIGALBJDJV-JTQLQIEISA-N -1 0 334.322 3.854 20 0 EHADRM COc1cc(C)c(NC(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1OC ZINC000831961534 601143259 /nfs/dbraw/zinc/14/32/59/601143259.db2.gz DIXQPMPVRURIMG-UHFFFAOYSA-N -1 0 344.367 3.663 20 0 EHADRM O=C([O-])c1ccc(C(=O)Oc2ccc(-c3cscn3)cc2)cc1 ZINC000833312244 601144064 /nfs/dbraw/zinc/14/40/64/601144064.db2.gz QZQDAKOJICIFLE-UHFFFAOYSA-N -1 0 325.345 3.728 20 0 EHADRM Cc1ccc(NC(=O)N(C)CCCc2ccccc2)cc1C(=O)[O-] ZINC000832944752 601144434 /nfs/dbraw/zinc/14/44/34/601144434.db2.gz LJNZGYBFGKMTOI-UHFFFAOYSA-N -1 0 326.396 3.790 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)c1cccc(C(F)(F)F)c1F ZINC000391252147 601145084 /nfs/dbraw/zinc/14/50/84/601145084.db2.gz BQDDURNLWGJBCU-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM O=C([O-])CN(C(=O)CCc1ccccc1Cl)c1cccc(F)c1 ZINC000833244901 601145107 /nfs/dbraw/zinc/14/51/07/601145107.db2.gz VXMRDTRIRJNHTI-UHFFFAOYSA-N -1 0 335.762 3.530 20 0 EHADRM N#Cc1c(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)sc2c1CCCCC2 ZINC000326335629 601146106 /nfs/dbraw/zinc/14/61/06/601146106.db2.gz TTXQCBWHRHFDLF-RYUDHWBXSA-N -1 0 346.452 3.718 20 0 EHADRM Cc1ccc(NC(=O)NCCCOC2CCCCC2)cc1C(=O)[O-] ZINC000832946870 601146257 /nfs/dbraw/zinc/14/62/57/601146257.db2.gz LCUBQMIDUXIXGF-UHFFFAOYSA-N -1 0 334.416 3.554 20 0 EHADRM CC[C@@H](CC(=O)N(CC(=O)[O-])c1cccc(F)c1)c1ccccc1 ZINC000828770435 601147174 /nfs/dbraw/zinc/14/71/74/601147174.db2.gz NAEAYSQISWUALK-AWEZNQCLSA-N -1 0 329.371 3.827 20 0 EHADRM CC[C@H](CC(=O)N(CC(=O)[O-])c1cccc(F)c1)c1ccccc1 ZINC000828770436 601147415 /nfs/dbraw/zinc/14/74/15/601147415.db2.gz NAEAYSQISWUALK-CQSZACIVSA-N -1 0 329.371 3.827 20 0 EHADRM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccsc1C(=O)[O-] ZINC000829014772 601151100 /nfs/dbraw/zinc/15/11/00/601151100.db2.gz PUBBKQZKHJYRHD-NSHDSACASA-N -1 0 339.800 3.896 20 0 EHADRM Cc1ccc(CCCC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)s1 ZINC000262112157 601151950 /nfs/dbraw/zinc/15/19/50/601151950.db2.gz KEFXPNOWEDBVOI-MRXNPFEDSA-N -1 0 349.427 3.851 20 0 EHADRM CN(C(=O)c1ccc(OC(C)(C)C)cc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000776620457 601158417 /nfs/dbraw/zinc/15/84/17/601158417.db2.gz MQSXCEUXBZTLMH-KRWDZBQOSA-N -1 0 341.407 3.762 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])o1)Cc1ccc(Br)c(F)c1 ZINC000724895835 601162610 /nfs/dbraw/zinc/16/26/10/601162610.db2.gz QPEDMJHFPQHSBA-UHFFFAOYSA-N -1 0 342.164 3.511 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000119916426 601168822 /nfs/dbraw/zinc/16/88/22/601168822.db2.gz FUEVATXGNINIFX-LBTNJELSSA-N -1 0 343.398 3.583 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)C[C@@H]1CCc2ccccc21)c1ccccc1 ZINC000675997863 601169190 /nfs/dbraw/zinc/16/91/90/601169190.db2.gz CEEAUXRSLZTQIA-GZRFBZBPSA-N -1 0 337.419 3.685 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)C/C=C/c1cccc(F)c1)c1ccccc1 ZINC000237602155 601170804 /nfs/dbraw/zinc/17/08/04/601170804.db2.gz KUXCERHYUVFBPC-SEQHEZFFSA-N -1 0 341.382 3.807 20 0 EHADRM C/C(=C/C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-])c1cccc(F)c1 ZINC000237619474 601170884 /nfs/dbraw/zinc/17/08/84/601170884.db2.gz RVISNECSXBXIPB-ZFECQDEESA-N -1 0 341.382 3.807 20 0 EHADRM Cc1nc2ccccc2cc1C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000833005366 601171954 /nfs/dbraw/zinc/17/19/54/601171954.db2.gz AGJFMICBMDKPBR-BFUOFWGJSA-N -1 0 348.402 3.735 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Oc2ccc(-c3cscn3)cc2)C1 ZINC000833187909 601173633 /nfs/dbraw/zinc/17/36/33/601173633.db2.gz SJQYFOMGYBKGHX-QWHCGFSZSA-N -1 0 331.393 3.607 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(Oc3ccccc3Cl)cc2)C1 ZINC000676213438 601179798 /nfs/dbraw/zinc/17/97/98/601179798.db2.gz MDVLDJYXIBYYIJ-CYBMUJFWSA-N -1 0 345.782 3.679 20 0 EHADRM CCc1cccc2c(CC(=O)NC3(CC(=O)[O-])CCCCC3)c[nH]c21 ZINC000531743057 601185527 /nfs/dbraw/zinc/18/55/27/601185527.db2.gz BDRPYLUOFCZXBR-UHFFFAOYSA-N -1 0 342.439 3.567 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cccc(Cl)c2Cl)CCCCC1 ZINC000084146526 601185816 /nfs/dbraw/zinc/18/58/16/601185816.db2.gz QNMRHTFNLJNXNO-UHFFFAOYSA-N -1 0 330.211 3.901 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)CCCCC1 ZINC000322092169 601186187 /nfs/dbraw/zinc/18/61/87/601186187.db2.gz HPIMQYAKWPLHDD-RYUDHWBXSA-N -1 0 335.366 3.649 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)CCCCC1 ZINC000322092164 601186191 /nfs/dbraw/zinc/18/61/91/601186191.db2.gz HPIMQYAKWPLHDD-NEPJUHHUSA-N -1 0 335.366 3.649 20 0 EHADRM Cc1ccc(C)c(C(=O)CCC(=O)NC2(CC(=O)[O-])CCCCC2)c1 ZINC000520492883 601187060 /nfs/dbraw/zinc/18/70/60/601187060.db2.gz IUDKUJGJLACCLV-UHFFFAOYSA-N -1 0 345.439 3.560 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cc(Cl)sc2Cl)CCCCC1 ZINC000224780915 601187125 /nfs/dbraw/zinc/18/71/25/601187125.db2.gz INUMHANSRSEHAM-UHFFFAOYSA-N -1 0 336.240 3.962 20 0 EHADRM Cc1cnc(C(C)(C)NC(=O)Nc2cccc(NC(=O)[O-])c2)s1 ZINC000832985376 601197082 /nfs/dbraw/zinc/19/70/82/601197082.db2.gz MXEVIZOMPRNXKK-UHFFFAOYSA-N -1 0 334.401 3.598 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)OCc2nc(-c3ccccc3)cs2)C1 ZINC000833186372 601238033 /nfs/dbraw/zinc/23/80/33/601238033.db2.gz DGKKJFIIQAKIOH-UONOGXRCSA-N -1 0 345.420 3.744 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)OCc2nc(-c3ccccc3)cs2)C1 ZINC000833186370 601238085 /nfs/dbraw/zinc/23/80/85/601238085.db2.gz DGKKJFIIQAKIOH-KBPBESRZSA-N -1 0 345.420 3.744 20 0 EHADRM CCCC[C@H](Cc1ccccn1)OC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000829287122 601239147 /nfs/dbraw/zinc/23/91/47/601239147.db2.gz YMYWOCCUNLLGTA-HLLBOEOZSA-N -1 0 333.428 3.617 20 0 EHADRM CCCC[C@H](Cc1ccccn1)OC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000829287121 601239205 /nfs/dbraw/zinc/23/92/05/601239205.db2.gz YMYWOCCUNLLGTA-BFYDXBDKSA-N -1 0 333.428 3.617 20 0 EHADRM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccnc(C(=O)[O-])c1 ZINC000236908061 601246780 /nfs/dbraw/zinc/24/67/80/601246780.db2.gz UDJWJLOHBGSARY-SJLPKXTDSA-N -1 0 338.407 3.578 20 0 EHADRM COc1cccc(C(C)=CC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000832528724 601263598 /nfs/dbraw/zinc/26/35/98/601263598.db2.gz PAJPSEFJRGGSEW-FLIBITNWSA-N -1 0 344.342 3.966 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CC3(CCCC3)c3ccccc32)C1 ZINC000180126445 601271045 /nfs/dbraw/zinc/27/10/45/601271045.db2.gz UTVTXRHMVPHEBK-LSDHHAIUSA-N -1 0 327.424 3.736 20 0 EHADRM O=C([O-])CC1(NC(=O)c2sccc2SC(F)F)CCCCC1 ZINC000833206191 601271504 /nfs/dbraw/zinc/27/15/04/601271504.db2.gz PHQVBGCDGKSRFY-UHFFFAOYSA-N -1 0 349.424 3.970 20 0 EHADRM CCC1CCC(NC(=O)c2ccccc2C(F)(F)F)(C(=O)[O-])CC1 ZINC000323979080 601275633 /nfs/dbraw/zinc/27/56/33/601275633.db2.gz YBXXPZXPCQSINB-UHFFFAOYSA-N -1 0 343.345 3.859 20 0 EHADRM Cc1ccc(C(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)c(F)c1 ZINC000832913720 601276778 /nfs/dbraw/zinc/27/67/78/601276778.db2.gz TXNZNCPWCPBJPR-UHFFFAOYSA-N -1 0 345.355 3.536 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000128680288 601277314 /nfs/dbraw/zinc/27/73/14/601277314.db2.gz FWLQHOJTKXTBDN-INIZCTEOSA-N -1 0 327.380 3.798 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C/C=C\c1cccc(F)c1)c1ccccc1 ZINC000362427842 601278029 /nfs/dbraw/zinc/27/80/29/601278029.db2.gz MJQWXTBZQCLLEC-WVRJYTFGSA-N -1 0 327.355 3.561 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C/C=C/c1cccc(F)c1 ZINC000237268985 601279306 /nfs/dbraw/zinc/27/93/06/601279306.db2.gz ZFGIAVPSAPXSKJ-HWKANZROSA-N -1 0 327.355 3.586 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)c3ccnc(C(=O)[O-])c3)cc2s1 ZINC000236621709 601280686 /nfs/dbraw/zinc/28/06/86/601280686.db2.gz RZRSWJHXKUSVSG-UHFFFAOYSA-N -1 0 341.392 3.765 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H](C)C2CCCC2)cc1 ZINC000832777718 601283178 /nfs/dbraw/zinc/28/31/78/601283178.db2.gz ZBDAQTYSIPHXGD-LRDDRELGSA-N -1 0 335.469 3.867 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000825793099 601287111 /nfs/dbraw/zinc/28/71/11/601287111.db2.gz MSKHXUGCGYDUFF-NRMKIYEFSA-N -1 0 339.366 3.834 20 0 EHADRM CC(C)C[C@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000826806641 601290408 /nfs/dbraw/zinc/29/04/08/601290408.db2.gz HJXBLWUCYYUDKI-HNNXBMFYSA-N -1 0 346.814 3.950 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Cc1c(F)cccc1Cl)c1ccccc1 ZINC000237662873 601295518 /nfs/dbraw/zinc/29/55/18/601295518.db2.gz MNFDLMQAVMXPRN-PIGZYNQJSA-N -1 0 349.789 3.600 20 0 EHADRM O=C([O-])CCCNC(=O)c1ccccc1SCc1cccs1 ZINC000237981973 601296106 /nfs/dbraw/zinc/29/61/06/601296106.db2.gz RAFFQEADGUQYDZ-UHFFFAOYSA-N -1 0 335.450 3.635 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)CCc1ccccc1Cl)c1ccccc1 ZINC000237739008 601297137 /nfs/dbraw/zinc/29/71/37/601297137.db2.gz MWJJRMNRKQFNJL-ACJLOTCBSA-N -1 0 345.826 3.851 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000262529430 601297139 /nfs/dbraw/zinc/29/71/39/601297139.db2.gz OMGYYBGWXQIATM-KYNGSXCRSA-N -1 0 337.419 3.685 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)CCCc1cccs1)c1ccccc1 ZINC000237605139 601298869 /nfs/dbraw/zinc/29/88/69/601298869.db2.gz UQHKYBNRVHVEEJ-GUYCJALGSA-N -1 0 331.437 3.649 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)C[C@H]1CCCc2cc(OC)ccc21 ZINC000346023436 601306438 /nfs/dbraw/zinc/30/64/38/601306438.db2.gz VTXGRTPSQRYPFV-OAHLLOKOSA-N -1 0 347.455 3.655 20 0 EHADRM O=C([O-])c1ccc(Cl)cc1OCc1ccc([N+](=O)[O-])cc1F ZINC000390003159 601349966 /nfs/dbraw/zinc/34/99/66/601349966.db2.gz QOXCHUSRRIFSJH-UHFFFAOYSA-N -1 0 325.679 3.665 20 0 EHADRM CN(CCCC(=O)N(C)C1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000830755833 601372464 /nfs/dbraw/zinc/37/24/64/601372464.db2.gz GEDTWADVXVSRNU-UHFFFAOYSA-N -1 0 338.407 3.605 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])nc1)C1c2ccccc2-c2ccccc21 ZINC000237293090 601374075 /nfs/dbraw/zinc/37/40/75/601374075.db2.gz XNGGIZAHBSVUNI-UHFFFAOYSA-N -1 0 344.370 3.622 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Nc2cccc(NC(=O)[O-])c2)cc1 ZINC000832220730 601396327 /nfs/dbraw/zinc/39/63/27/601396327.db2.gz DZNXMHDIUQDRKU-GFCCVEGCSA-N -1 0 328.368 3.917 20 0 EHADRM Cc1[nH]c(C2=NNC(=Nc3ccc(C)cc3)SC2)c(C)c1C(=O)[O-] ZINC000832949222 601405591 /nfs/dbraw/zinc/40/55/91/601405591.db2.gz QJGNWJSUEQRICD-UHFFFAOYSA-N -1 0 342.424 3.557 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)ccc1F ZINC000832871479 601426135 /nfs/dbraw/zinc/42/61/35/601426135.db2.gz SALANOKTPYOLPZ-GFCCVEGCSA-N -1 0 342.370 3.619 20 0 EHADRM O=C([O-])[C@@H](CNc1ncc(Cl)cn1)Cc1cccc2ccccc21 ZINC000833164741 601434949 /nfs/dbraw/zinc/43/49/49/601434949.db2.gz YDVJJQDQPDDZSS-CQSZACIVSA-N -1 0 341.798 3.639 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N(c1ncc(C(=O)[O-])s1)C1CC1 ZINC000825792269 601448535 /nfs/dbraw/zinc/44/85/35/601448535.db2.gz AZTBNMPAOLDDPI-CSKARUKUSA-N -1 0 346.383 3.579 20 0 EHADRM C[C@H](SCc1ccc(C(=O)[O-])cc1)C(=O)Nc1cccc(F)c1 ZINC000013020192 601453183 /nfs/dbraw/zinc/45/31/83/601453183.db2.gz UUBJPEKRDIMLMS-NSHDSACASA-N -1 0 333.384 3.784 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2O)cc1 ZINC000828765073 601453533 /nfs/dbraw/zinc/45/35/33/601453533.db2.gz VCIRNBZIMHLFLE-LLVKDONJSA-N -1 0 329.352 3.520 20 0 EHADRM Cc1ccc(CNC(=O)[C@@H](C)SCc2ccc(C(=O)[O-])cc2)cc1 ZINC000832932591 601453920 /nfs/dbraw/zinc/45/39/20/601453920.db2.gz QGAHTQNFBQNPRY-CQSZACIVSA-N -1 0 343.448 3.631 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)[C@@H]1CCSc2ccccc21 ZINC000830384269 601466966 /nfs/dbraw/zinc/46/69/66/601466966.db2.gz MAXYYRPJYLPVMF-CYBMUJFWSA-N -1 0 346.404 3.863 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000237004266 601470659 /nfs/dbraw/zinc/47/06/59/601470659.db2.gz IOGZNBXWERELJH-BZNIZROVSA-N -1 0 345.361 3.959 20 0 EHADRM Cc1cc(COC(=O)[C@@H](C)c2ccc(Cl)s2)oc1C(=O)[O-] ZINC000832884601 601475482 /nfs/dbraw/zinc/47/54/82/601475482.db2.gz FCBQFGVELHOFRQ-QMMMGPOBSA-N -1 0 328.773 3.848 20 0 EHADRM Cc1cc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])c(C)n1C(C)C ZINC000262559547 601483708 /nfs/dbraw/zinc/48/37/08/601483708.db2.gz XTPBWRTVMOGHKM-GOSISDBHSA-N -1 0 340.423 3.510 20 0 EHADRM C[C@H]1CC/C(=C\C(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)C1 ZINC000828200464 601503757 /nfs/dbraw/zinc/50/37/57/601503757.db2.gz GJFOQAZHWNJUJE-CVCOIXHCSA-N -1 0 337.366 3.515 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc3ccc(Cl)cc3n2)s1 ZINC000833158282 601530532 /nfs/dbraw/zinc/53/05/32/601530532.db2.gz SQCQGMCLFOQMJE-UHFFFAOYSA-N -1 0 332.768 3.900 20 0 EHADRM CC[C@H](C(=O)N(C)CCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000237071848 601532947 /nfs/dbraw/zinc/53/29/47/601532947.db2.gz PIDLOVCLFWPGOO-ZDUSSCGKSA-N -1 0 331.334 3.522 20 0 EHADRM Cc1ccc(C)c(N(C)C(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)c1 ZINC000832926421 601535800 /nfs/dbraw/zinc/53/58/00/601535800.db2.gz UBQGPYFCUMSJDE-UHFFFAOYSA-N -1 0 341.407 3.660 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CN1CCO[C@@H](c2ccco2)C1 ZINC000652436435 601549803 /nfs/dbraw/zinc/54/98/03/601549803.db2.gz JTVMRGYPSRQORM-OAHLLOKOSA-N -1 0 343.404 3.766 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2cccc(CCC(F)(F)F)c2)CCC1 ZINC000833203377 601553968 /nfs/dbraw/zinc/55/39/68/601553968.db2.gz VETPWUWZRXAXSQ-UHFFFAOYSA-N -1 0 344.333 3.700 20 0 EHADRM O=C([O-])CCCSc1cc(C(F)(F)F)nc(-c2cccnc2)n1 ZINC000833229053 601565335 /nfs/dbraw/zinc/56/53/35/601565335.db2.gz OWMNLDZIUAFKOS-UHFFFAOYSA-N -1 0 343.330 3.514 20 0 EHADRM CCCCSCCC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000263132476 601586483 /nfs/dbraw/zinc/58/64/83/601586483.db2.gz HHTGHEYROYEEQV-AWEZNQCLSA-N -1 0 329.849 3.505 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000318931278 601597626 /nfs/dbraw/zinc/59/76/26/601597626.db2.gz OYWRRHBVDYLREV-NSHDSACASA-N -1 0 341.860 3.582 20 0 EHADRM CC(C)C[C@H](C)OCCC(=O)Oc1cc(Cl)ccc1C(=O)[O-] ZINC000826763525 601597837 /nfs/dbraw/zinc/59/78/37/601597837.db2.gz CKHRWWQHDJQOHR-NSHDSACASA-N -1 0 328.792 3.785 20 0 EHADRM C[C@H](C(=O)NCC1(C(=O)[O-])CCCC1)c1c(Cl)cccc1Cl ZINC000678983838 601602296 /nfs/dbraw/zinc/60/22/96/601602296.db2.gz YYDFWKDHJQXZNY-JTQLQIEISA-N -1 0 344.238 3.858 20 0 EHADRM CC(C)c1csc(NC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])n1 ZINC000827144935 601603802 /nfs/dbraw/zinc/60/38/02/601603802.db2.gz XHYGDYBCBOBQCC-SMDDNHRTSA-N -1 0 347.440 3.850 20 0 EHADRM O=C([O-])Nc1cc(NCc2noc(-c3ccsc3)n2)ccc1F ZINC000833283699 601606510 /nfs/dbraw/zinc/60/65/10/601606510.db2.gz UQSRLGBINYYYSM-UHFFFAOYSA-N -1 0 334.332 3.639 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)/C=C/SCc1ccco1)c1ccccc1 ZINC000237619736 601611527 /nfs/dbraw/zinc/61/15/27/601611527.db2.gz CFVYDBQXBCMZCM-WZMLOTFKSA-N -1 0 345.420 3.605 20 0 EHADRM COc1cc2ccccc2cc1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000738080064 601613936 /nfs/dbraw/zinc/61/39/36/601613936.db2.gz VHBOWWHUHFMHCA-UHFFFAOYSA-N -1 0 335.359 3.728 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)CSCc1ccc(Cl)cc1 ZINC000238076410 601614000 /nfs/dbraw/zinc/61/40/00/601614000.db2.gz HHKLCOVCOXLMKR-UHFFFAOYSA-N -1 0 349.839 3.839 20 0 EHADRM CCc1ccc(NC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000830253992 601615076 /nfs/dbraw/zinc/61/50/76/601615076.db2.gz QQOOLKLSWPOWAX-CXAGYDPISA-N -1 0 326.396 3.833 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccccc1CC(=O)[O-] ZINC000262111048 601617501 /nfs/dbraw/zinc/61/75/01/601617501.db2.gz INDIOSNSPVBZSC-UWWQBHOKSA-N -1 0 347.455 3.730 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)CCSc1ccc(F)cc1 ZINC000238071191 601617523 /nfs/dbraw/zinc/61/75/23/601617523.db2.gz DNBIVJWWICMVKN-UHFFFAOYSA-N -1 0 333.384 3.574 20 0 EHADRM CCCCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(NC(=O)[O-])cc2)C1(C)C ZINC000829412706 601618457 /nfs/dbraw/zinc/61/84/57/601618457.db2.gz CZLWODKCONWUPQ-JKSUJKDBSA-N -1 0 348.443 3.832 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CSc1nccn1Cc1ccccn1 ZINC000833031925 601623415 /nfs/dbraw/zinc/62/34/15/601623415.db2.gz WHNDJSNCCNYFQF-UHFFFAOYSA-N -1 0 345.449 3.687 20 0 EHADRM C[C@H](CNC(=O)Nc1ccccc1O[C@H](C)c1ccccc1)C(=O)[O-] ZINC000653539169 601624717 /nfs/dbraw/zinc/62/47/17/601624717.db2.gz UZCRDMIEWPSBRG-ZIAGYGMSSA-N -1 0 342.395 3.669 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000832853181 601627862 /nfs/dbraw/zinc/62/78/62/601627862.db2.gz GRCJRIDBYJMWCE-INIZCTEOSA-N -1 0 348.443 3.685 20 0 EHADRM CCCCC[C@@H](NC(=O)CCc1c[nH]c2c1cccc2C)C(=O)[O-] ZINC000236813215 601639637 /nfs/dbraw/zinc/63/96/37/601639637.db2.gz RFGALIZBRYNUCX-MRXNPFEDSA-N -1 0 330.428 3.559 20 0 EHADRM CCCCC[C@H](NC(=O)c1ccc(SC(F)F)cc1)C(=O)[O-] ZINC000236672521 601642359 /nfs/dbraw/zinc/64/23/59/601642359.db2.gz VWJJWTYCENUAHF-LBPRGKRZSA-N -1 0 331.384 3.765 20 0 EHADRM C[C@H](CSc1ccc(F)cc1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000541574583 601645313 /nfs/dbraw/zinc/64/53/13/601645313.db2.gz HCCAFMNCPLWLQY-GFCCVEGCSA-N -1 0 347.411 3.820 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NCc1cc(-c2cccs2)on1)c1ccccc1 ZINC000826054474 601657538 /nfs/dbraw/zinc/65/75/38/601657538.db2.gz NJLKVIWPOCXTHT-YVEFUNNKSA-N -1 0 342.420 3.955 20 0 EHADRM CCCCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(C(=O)[O-])s2)C1(C)C ZINC000236862908 601663775 /nfs/dbraw/zinc/66/37/75/601663775.db2.gz MAXJNFNKNJEIJB-KGLIPLIRSA-N -1 0 339.457 3.502 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cc(F)cc(Cl)c1)c1ccc(F)cc1 ZINC000833199255 601666707 /nfs/dbraw/zinc/66/67/07/601666707.db2.gz TXKDRSSUWVNWHD-CQSZACIVSA-N -1 0 339.725 3.564 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)c2c[nH]nc2-c2ccccc2F)cc1 ZINC000833289027 601667429 /nfs/dbraw/zinc/66/74/29/601667429.db2.gz DSCBGGPKZDWBDL-UHFFFAOYSA-N -1 0 341.298 3.525 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)[C@H]2C[C@@H]2Cc2ccccc2)ccc1F ZINC000833284220 601674682 /nfs/dbraw/zinc/67/46/82/601674682.db2.gz RELBSUFQYDFJSZ-JSGCOSHPSA-N -1 0 328.343 3.733 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000833268583 601680431 /nfs/dbraw/zinc/68/04/31/601680431.db2.gz BFGYDVDDAUYQAU-UHFFFAOYSA-N -1 0 342.244 3.691 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@@H]2C[C@@H]2Cc2ccccc2)cc1 ZINC000826112896 601681124 /nfs/dbraw/zinc/68/11/24/601681124.db2.gz AFYWAXVPFSMOBJ-MAUKXSAKSA-N -1 0 337.419 3.866 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)NCC(C)(C)C(=O)[O-] ZINC000827934396 601686780 /nfs/dbraw/zinc/68/67/80/601686780.db2.gz GACAORQVFMOXHO-RYUDHWBXSA-N -1 0 340.851 3.584 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N2CCC(=Cc3ccccc3F)CC2)C1 ZINC000833187690 601690363 /nfs/dbraw/zinc/69/03/63/601690363.db2.gz ZEEQUSMVGTZIIY-IRXDYDNUSA-N -1 0 345.414 3.723 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)COc1ccc(Cl)cc1 ZINC000833032219 601704173 /nfs/dbraw/zinc/70/41/73/601704173.db2.gz WJJSRHWHIYDLBI-UHFFFAOYSA-N -1 0 340.784 3.530 20 0 EHADRM O=C([O-])c1ccc(COC(=O)C23CC4CC(CC(C4)C2)C3)cc1F ZINC000833313792 601704506 /nfs/dbraw/zinc/70/45/06/601704506.db2.gz AHFDBUYDWUUBOG-UHFFFAOYSA-N -1 0 332.371 3.784 20 0 EHADRM O=C([O-])[C@@]1(F)CCN(C(=O)c2cc3sc4ccccc4c3s2)C1 ZINC000262875188 601713287 /nfs/dbraw/zinc/71/32/87/601713287.db2.gz YDSRAVNFEXIRDY-MRXNPFEDSA-N -1 0 349.408 3.755 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1ccc(-c2cnco2)cc1 ZINC000833033042 601724488 /nfs/dbraw/zinc/72/44/88/601724488.db2.gz PHJRKZYWXUDGFI-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000833031805 601727015 /nfs/dbraw/zinc/72/70/15/601727015.db2.gz QCHINQVBDXAZSZ-UHFFFAOYSA-N -1 0 347.367 3.661 20 0 EHADRM C[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccccc1F)c1cccc(Cl)c1 ZINC000678987343 601742018 /nfs/dbraw/zinc/74/20/18/601742018.db2.gz SRZMDRBBIQROMW-ZUZCIYMTSA-N -1 0 335.762 3.525 20 0 EHADRM O=C([O-])CCCc1csc(NC(=O)c2ccc(Cl)s2)n1 ZINC000159981520 601747522 /nfs/dbraw/zinc/74/75/22/601747522.db2.gz QUDVIINPVFOEKG-UHFFFAOYSA-N -1 0 330.818 3.518 20 0 EHADRM CC(C)CC1(CNC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC000392130698 601751637 /nfs/dbraw/zinc/75/16/37/601751637.db2.gz LOSUAPCVOKEGEY-UHFFFAOYSA-N -1 0 326.343 3.611 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cccc(-c2cscn2)c1)C1CCCCC1 ZINC000833124097 601753794 /nfs/dbraw/zinc/75/37/94/601753794.db2.gz JMCSAKCBTHWRQG-MRXNPFEDSA-N -1 0 344.436 3.573 20 0 EHADRM Cc1c(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)sc2nccc(C)c12 ZINC000832984732 601754420 /nfs/dbraw/zinc/75/44/20/601754420.db2.gz FOIZYAALXYTWLF-AWEZNQCLSA-N -1 0 346.452 3.676 20 0 EHADRM CC[C@H]1CCC[C@@H]1NC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000829118256 601755545 /nfs/dbraw/zinc/75/55/45/601755545.db2.gz FVINAULETZIFCN-ZFWWWQNUSA-N -1 0 336.457 3.705 20 0 EHADRM C[C@@H](NC(=O)NCCCCCCC(=O)[O-])c1c(F)cccc1Cl ZINC000827664304 601766941 /nfs/dbraw/zinc/76/69/41/601766941.db2.gz FMUYSWAHYBSDKH-LLVKDONJSA-N -1 0 344.814 3.874 20 0 EHADRM O=C([O-])C1CCC(NC(=O)N2CCCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000263493448 601774051 /nfs/dbraw/zinc/77/40/51/601774051.db2.gz SARHORCGGPTJDS-BDVYOWHSSA-N -1 0 348.418 3.706 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H](c2ccccc2F)C2CCCC2)cn1 ZINC000238027461 601774558 /nfs/dbraw/zinc/77/45/58/601774558.db2.gz CCPJAQGYQYKZJL-KRWDZBQOSA-N -1 0 342.370 3.580 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)N2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000833318786 601779548 /nfs/dbraw/zinc/77/95/48/601779548.db2.gz FNWODSGGTJFANT-ZDUSSCGKSA-N -1 0 346.333 3.684 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N2CC[C@H](c3ccc(F)cc3)C2)cc1 ZINC000833285978 601780757 /nfs/dbraw/zinc/78/07/57/601780757.db2.gz MOBIHGDPPDXDAW-ZDUSSCGKSA-N -1 0 343.358 3.937 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CC[C@H](c3ccc(F)cc3)C2)c(F)c1 ZINC000833318692 601792047 /nfs/dbraw/zinc/79/20/47/601792047.db2.gz BVILENVEMSDZHD-ZDUSSCGKSA-N -1 0 346.333 3.684 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)N(C)c2ccccc2C(=O)[O-])c1 ZINC000832528113 601800136 /nfs/dbraw/zinc/80/01/36/601800136.db2.gz HGQCHQAWLWSEHF-ZDUSSCGKSA-N -1 0 327.380 3.550 20 0 EHADRM O=C([O-])c1ccc(-c2csc(NC(=O)CCc3ccoc3)n2)cc1 ZINC000833103637 601800577 /nfs/dbraw/zinc/80/05/77/601800577.db2.gz YOIUIQKUMCSPHF-UHFFFAOYSA-N -1 0 342.376 3.673 20 0 EHADRM CC(C)CC(C)(C)C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC000826759555 601800985 /nfs/dbraw/zinc/80/09/85/601800985.db2.gz IRMXHDLFVHJOQS-UHFFFAOYSA-N -1 0 335.429 3.847 20 0 EHADRM C[C@@H](C(=O)N1CCCC[C@@H]1CC(=O)[O-])c1ccc2ccccc2c1 ZINC000653320948 601801580 /nfs/dbraw/zinc/80/15/80/601801580.db2.gz ZKDFYRKJOUTNTN-RDTXWAMCSA-N -1 0 325.408 3.799 20 0 EHADRM Cc1cc(O)c(C(C)C)cc1NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000832898380 601802274 /nfs/dbraw/zinc/80/22/74/601802274.db2.gz FXFLDHJEQRWEIG-UHFFFAOYSA-N -1 0 343.379 3.540 20 0 EHADRM Cc1cc(C(=O)[O-])c2sc(NC(=O)C(C)(C)CC(C)C)nc2n1 ZINC000832867334 601803462 /nfs/dbraw/zinc/80/34/62/601803462.db2.gz MPLDLFZFHUAMDO-UHFFFAOYSA-N -1 0 335.429 3.709 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@H](C2CCCCC2)C(F)(F)F)C1 ZINC000649465937 601805606 /nfs/dbraw/zinc/80/56/06/601805606.db2.gz XKKCUJRRIMIJRE-YNEHKIRRSA-N -1 0 335.366 3.505 20 0 EHADRM COc1ccc(OC)c(CN(Cc2ccsc2C(=O)[O-])C2CC2)c1 ZINC000568758759 601806508 /nfs/dbraw/zinc/80/65/08/601806508.db2.gz QTXDGULNYLGAGB-UHFFFAOYSA-N -1 0 347.436 3.628 20 0 EHADRM COc1ccc(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])c(OC)c1 ZINC000832178221 601807295 /nfs/dbraw/zinc/80/72/95/601807295.db2.gz CUVREYKHFSOQFZ-UHFFFAOYSA-N -1 0 347.392 3.593 20 0 EHADRM O=C([O-])c1ccccc1NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000833334392 601812541 /nfs/dbraw/zinc/81/25/41/601812541.db2.gz DYZXEMGSRPCAOL-UHFFFAOYSA-N -1 0 329.743 3.700 20 0 EHADRM C[C@@H](C(=O)NC[C@@H](C(=O)[O-])c1ccccc1)c1ccc2ccccc2c1 ZINC000826005022 601813145 /nfs/dbraw/zinc/81/31/45/601813145.db2.gz RBDHVBKSMRZMJQ-FOIQADDNSA-N -1 0 347.414 3.928 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2cccc(-c3cscn3)c2)CC1 ZINC000659773972 601814591 /nfs/dbraw/zinc/81/45/91/601814591.db2.gz FOZMTBXNWJWUEP-UHFFFAOYSA-N -1 0 344.436 3.527 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2occc2-c2ccccc2)CC1 ZINC000324628439 601816844 /nfs/dbraw/zinc/81/68/44/601816844.db2.gz SAUOBFYWYLNTTI-UHFFFAOYSA-N -1 0 327.380 3.664 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)N[C@H](c2ccccc2)C2CCC2)CC1 ZINC000659396058 601826444 /nfs/dbraw/zinc/82/64/44/601826444.db2.gz FOCUSLIYECOMDY-LJQANCHMSA-N -1 0 344.455 3.814 20 0 EHADRM CC(C)c1nc(C2(NCc3ccsc3C(=O)[O-])CCCC2)no1 ZINC000827144619 601834724 /nfs/dbraw/zinc/83/47/24/601834724.db2.gz POVANRNORJSYSG-UHFFFAOYSA-N -1 0 335.429 3.512 20 0 EHADRM O=C([O-])CCC1CCN(Cc2csc(Cc3ccccc3)n2)CC1 ZINC000571930127 601841315 /nfs/dbraw/zinc/84/13/15/601841315.db2.gz NFOLTLMEWNRUAE-UHFFFAOYSA-N -1 0 344.480 3.811 20 0 EHADRM CC(C)C[C@H](C)N(C)C(=O)CSCc1ccc(C(=O)[O-])s1 ZINC000826759249 601847170 /nfs/dbraw/zinc/84/71/70/601847170.db2.gz BFLUJTPTFHETBB-NSHDSACASA-N -1 0 329.487 3.573 20 0 EHADRM O=C([O-])c1ccc(CSCC(=O)N(C2CC2)C2CCCC2)s1 ZINC000833316349 601847359 /nfs/dbraw/zinc/84/73/59/601847359.db2.gz BBEMHOLGOSYPIZ-UHFFFAOYSA-N -1 0 339.482 3.613 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)C2(Cc3ccccc3)CCC2)c1 ZINC000238028080 601848430 /nfs/dbraw/zinc/84/84/30/601848430.db2.gz DEBGQRLLTKJMBU-UHFFFAOYSA-N -1 0 339.391 3.502 20 0 EHADRM CCCn1nc(C)c(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1C ZINC000678979391 601857813 /nfs/dbraw/zinc/85/78/13/601857813.db2.gz BSJIJUODMFLGTE-UHFFFAOYSA-N -1 0 335.791 3.514 20 0 EHADRM CCCOc1ccc(NC(=O)[C@H](NC(=O)[O-])c2ccccc2)c(C)c1 ZINC000739364006 601885435 /nfs/dbraw/zinc/88/54/35/601885435.db2.gz NKTXLLOARUSPTP-QGZVFWFLSA-N -1 0 342.395 3.731 20 0 EHADRM CCCCOc1ccccc1NC(=O)C1CCC(NC(=O)[O-])CC1 ZINC000739339282 601885541 /nfs/dbraw/zinc/88/55/41/601885541.db2.gz LHTPUZVKNYWVTJ-UHFFFAOYSA-N -1 0 334.416 3.630 20 0 EHADRM CN(Cc1cc(F)ccc1F)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830806888 601901214 /nfs/dbraw/zinc/90/12/14/601901214.db2.gz XUXFTGZKFXUEGX-OAHLLOKOSA-N -1 0 345.267 3.640 20 0 EHADRM CC(C)N(C(=O)CNc1ccc(Cl)c(C(=O)[O-])c1)C1CCCC1 ZINC000826924649 601905088 /nfs/dbraw/zinc/90/50/88/601905088.db2.gz MCOCBHYELAAXPV-UHFFFAOYSA-N -1 0 338.835 3.630 20 0 EHADRM CCN(C(=O)CNc1cccc(C(=O)[O-])c1)[C@H](C)c1ccc(F)cc1 ZINC000829597603 601905626 /nfs/dbraw/zinc/90/56/26/601905626.db2.gz RFRZSDANCQDXNN-CYBMUJFWSA-N -1 0 344.386 3.546 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)c1cc(F)c(F)cc1Cl ZINC000833131933 601905912 /nfs/dbraw/zinc/90/59/12/601905912.db2.gz LPTJRZMOOYLLKF-LKFCYVNXSA-N -1 0 345.773 3.772 20 0 EHADRM CC(C)OCc1ccc(C(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])cc1 ZINC000262053395 601909007 /nfs/dbraw/zinc/90/90/07/601909007.db2.gz CDUWULVUYDWANL-QZTJIDSGSA-N -1 0 347.455 3.765 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2cc(Oc3ccccc3)ccn2)c1 ZINC000238218427 601924550 /nfs/dbraw/zinc/92/45/50/601924550.db2.gz FSPDIXCPLCKDPU-UHFFFAOYSA-N -1 0 348.358 3.502 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)c1 ZINC000238064732 601925208 /nfs/dbraw/zinc/92/52/08/601925208.db2.gz OBUJZGTYXQOTOV-VQTJNVASSA-N -1 0 345.398 3.958 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000238136382 601926116 /nfs/dbraw/zinc/92/61/16/601926116.db2.gz MDZPCDJKMGMURY-UHFFFAOYSA-N -1 0 338.190 3.551 20 0 EHADRM CC(C)(C(=O)NCc1cccc(C(=O)[O-])c1)c1ccccc1Cl ZINC000540669555 601927372 /nfs/dbraw/zinc/92/73/72/601927372.db2.gz LEAONTXDRQECDH-UHFFFAOYSA-N -1 0 331.799 3.632 20 0 EHADRM CSc1ccc(Cl)c(C(=O)NCc2cccc(C(=O)[O-])c2)c1 ZINC000237331561 601927761 /nfs/dbraw/zinc/92/77/61/601927761.db2.gz FEARLQPYAADDON-UHFFFAOYSA-N -1 0 335.812 3.690 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C(F)=C2CCCC2)c(OC(F)F)c1 ZINC000833158228 601942601 /nfs/dbraw/zinc/94/26/01/601942601.db2.gz RUFFDPOMYZGJMM-UHFFFAOYSA-N -1 0 329.274 3.722 20 0 EHADRM O=C([O-])CCCCCn1c(=O)c2ccccc2nc1SCC1CC1 ZINC000833224962 601954106 /nfs/dbraw/zinc/95/41/06/601954106.db2.gz NYPUWYOGJKYGKQ-UHFFFAOYSA-N -1 0 346.452 3.544 20 0 EHADRM Cc1cc(C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)c(Cl)cc1F ZINC000832858660 601959722 /nfs/dbraw/zinc/95/97/22/601959722.db2.gz CXFCCGLVSOQSFC-OAHLLOKOSA-N -1 0 335.762 3.685 20 0 EHADRM CC(C)Sc1ccc(C(=O)Nc2ccc(NC(=O)[O-])nc2)cc1 ZINC000738869077 601992125 /nfs/dbraw/zinc/99/21/25/601992125.db2.gz HUJQIPUYLLEBKC-UHFFFAOYSA-N -1 0 331.397 3.924 20 0 EHADRM O=C([O-])c1ccc(Oc2ncnc3c2CCCC3)c(Br)c1 ZINC000833323828 601994987 /nfs/dbraw/zinc/99/49/87/601994987.db2.gz KXYDNMPRYKGDFQ-UHFFFAOYSA-N -1 0 349.184 3.608 20 0 EHADRM Cc1ccc(OCCCC(=O)OCc2ccc(C(=O)[O-])s2)cc1 ZINC000832952547 601996482 /nfs/dbraw/zinc/99/64/82/601996482.db2.gz QQXKQGJGONYIIA-UHFFFAOYSA-N -1 0 334.393 3.657 20 0 EHADRM O=C([O-])c1ccc(COC(=O)CSc2ccc(Cl)cc2)s1 ZINC000833116072 601998722 /nfs/dbraw/zinc/99/87/22/601998722.db2.gz RUMDVVWPXHJWGO-UHFFFAOYSA-N -1 0 342.825 3.935 20 0 EHADRM CC(C)(C)c1ccc(CCCC(=O)NC2CCN(C(=O)[O-])CC2)cc1 ZINC000736296942 602000065 /nfs/dbraw/zinc/00/00/65/602000065.db2.gz AGVXFCPHXZLSNN-UHFFFAOYSA-N -1 0 346.471 3.565 20 0 EHADRM Cc1cc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c(C)n1C1CCCCC1 ZINC000237706741 602003353 /nfs/dbraw/zinc/00/33/53/602003353.db2.gz MTMBGAQWQBFUED-LJQANCHMSA-N -1 0 332.444 3.547 20 0 EHADRM CCC1(NC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)CCC1 ZINC000829069695 602026277 /nfs/dbraw/zinc/02/62/77/602026277.db2.gz QUPHFTNQBLFDIO-UHFFFAOYSA-N -1 0 330.306 3.858 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)Nc1ccc2[nH]ccc2c1 ZINC000833157136 602038079 /nfs/dbraw/zinc/03/80/79/602038079.db2.gz MKUZHACIGZGKBG-GDBMZVCRSA-N -1 0 329.400 3.713 20 0 EHADRM CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)C1 ZINC000830148905 602044513 /nfs/dbraw/zinc/04/45/13/602044513.db2.gz AZNIDWNMFOGUQF-KGLIPLIRSA-N -1 0 336.457 3.831 20 0 EHADRM CCC(CC)[C@H](NC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccccc1 ZINC000262914151 602060271 /nfs/dbraw/zinc/06/02/71/602060271.db2.gz DYARNWLWPXWQMV-LPHOPBHVSA-N -1 0 332.444 3.670 20 0 EHADRM CSCCC(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC000832758520 602062564 /nfs/dbraw/zinc/06/25/64/602062564.db2.gz ISMWBZJKWSKXDQ-UHFFFAOYSA-N -1 0 345.420 3.655 20 0 EHADRM O=C([O-])c1ccc(OCc2ccccc2)c(NC(=O)c2ccncc2)c1 ZINC000833323805 602063863 /nfs/dbraw/zinc/06/38/63/602063863.db2.gz JINUSDYOYVDOKG-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000238110308 602067257 /nfs/dbraw/zinc/06/72/57/602067257.db2.gz GPKYNMWWEWTYRM-UHFFFAOYSA-N -1 0 338.190 3.802 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2cccc(CC(=O)[O-])c2)cc1C ZINC000263114057 602067585 /nfs/dbraw/zinc/06/75/85/602067585.db2.gz BNTIXTCJXYAFGM-UHFFFAOYSA-N -1 0 341.407 3.728 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)c1 ZINC000345744264 602069616 /nfs/dbraw/zinc/06/96/16/602069616.db2.gz GHWONHVVJMWTFY-UHFFFAOYSA-N -1 0 349.386 3.730 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2ccc(Oc3ccccc3)o2)c1 ZINC000345754768 602070374 /nfs/dbraw/zinc/07/03/74/602070374.db2.gz WRYSMOJKVRLFLU-UHFFFAOYSA-N -1 0 337.331 3.951 20 0 EHADRM Cn1c2ccccc2c(Cl)c1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000237726373 602073416 /nfs/dbraw/zinc/07/34/16/602073416.db2.gz FBXBPOOJURKXCO-UHFFFAOYSA-N -1 0 342.782 3.711 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)c1 ZINC000238121728 602073990 /nfs/dbraw/zinc/07/39/90/602073990.db2.gz AOLAOLADYGVWMY-UHFFFAOYSA-N -1 0 329.783 3.637 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2cc(-c3ccccc3)ns2)c1 ZINC000533194878 602075830 /nfs/dbraw/zinc/07/58/30/602075830.db2.gz HXNGBZZCGWQKGD-UHFFFAOYSA-N -1 0 338.388 3.690 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)N[C@H]1CSc2ccccc21 ZINC000833225141 602082871 /nfs/dbraw/zinc/08/28/71/602082871.db2.gz KXSIIRGKMMMJMM-AWEZNQCLSA-N -1 0 336.457 3.558 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccncc1F)c1cc(Cl)cc(Cl)c1 ZINC000833350053 602088484 /nfs/dbraw/zinc/08/84/84/602088484.db2.gz ITUGBERDUKDNAO-GFCCVEGCSA-N -1 0 344.125 3.510 20 0 EHADRM Cc1cccnc1C(=O)O[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000832983551 602089701 /nfs/dbraw/zinc/08/97/01/602089701.db2.gz KFANWSMNFGDZLX-ZDUSSCGKSA-N -1 0 340.162 3.680 20 0 EHADRM Cc1c(NC(=O)NCc2nc(C(C)C)cs2)cccc1C(=O)[O-] ZINC000832856773 602093325 /nfs/dbraw/zinc/09/33/25/602093325.db2.gz TXYOENBRIPGYFG-UHFFFAOYSA-N -1 0 333.413 3.595 20 0 EHADRM Cc1ccc(Br)c(C(=O)O[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000832910445 602106501 /nfs/dbraw/zinc/10/65/01/602106501.db2.gz KHRVOLYRNCDAML-AWEZNQCLSA-N -1 0 349.180 3.740 20 0 EHADRM CCC[C@](C)(NC(=O)[O-])C(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000739293892 602108407 /nfs/dbraw/zinc/10/84/07/602108407.db2.gz FGKBFSRFCLMCQW-KRWDZBQOSA-N -1 0 347.440 3.883 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N[C@@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000827273810 602108456 /nfs/dbraw/zinc/10/84/56/602108456.db2.gz UHGJFOIUOCZXGO-STQMWFEESA-N -1 0 345.370 3.906 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000827873190 602109371 /nfs/dbraw/zinc/10/93/71/602109371.db2.gz DSUQHUQDHYLOIX-JTQLQIEISA-N -1 0 341.354 3.729 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@H](C)OC1CCCCCC1 ZINC000262060852 602121484 /nfs/dbraw/zinc/12/14/84/602121484.db2.gz HBCAGEFACYDMEU-AWEZNQCLSA-N -1 0 349.427 3.525 20 0 EHADRM O=C([O-])c1ccc(F)c(NCc2nnc(-c3cccc(Cl)c3)o2)c1 ZINC000833319240 602127788 /nfs/dbraw/zinc/12/77/88/602127788.db2.gz JBLQMVXPMSPYCH-UHFFFAOYSA-N -1 0 347.733 3.839 20 0 EHADRM Cc1ccccc1CN(Cc1ccccc1)C(=O)[C@@H](C)CC(=O)[O-] ZINC000832979307 602131764 /nfs/dbraw/zinc/13/17/64/602131764.db2.gz LBBWZJLAQFAXAM-INIZCTEOSA-N -1 0 325.408 3.635 20 0 EHADRM CC1(C)C[C@@H](NC(=O)Nc2cccc(C(=O)[O-])c2)c2ccccc2O1 ZINC000828055342 602135549 /nfs/dbraw/zinc/13/55/49/602135549.db2.gz BVPHSEZMIXLJHL-OAHLLOKOSA-N -1 0 340.379 3.809 20 0 EHADRM CCc1oc(C(=O)N[C@H](CC(=O)[O-])c2ccc(SC)cc2)cc1C ZINC000191072746 602137048 /nfs/dbraw/zinc/13/70/48/602137048.db2.gz KTTCNTFZRBJYRG-CQSZACIVSA-N -1 0 347.436 3.818 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000181653716 602140136 /nfs/dbraw/zinc/14/01/36/602140136.db2.gz FVRWLQSYJOGVCB-YJBOKZPZSA-N -1 0 347.455 3.837 20 0 EHADRM COc1ccc(C(C)(C)C(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000128670006 602156379 /nfs/dbraw/zinc/15/63/79/602156379.db2.gz FLNXMIOOGUVNRV-UHFFFAOYSA-N -1 0 327.380 3.618 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)Nc1ccccc1O[C@@H](C)c1ccccc1 ZINC000827316527 602163638 /nfs/dbraw/zinc/16/36/38/602163638.db2.gz ATYMLAWKLATUJD-KGLIPLIRSA-N -1 0 327.380 3.876 20 0 EHADRM CC[C@H](c1ccccc1)N(CC)C(=O)NC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739267772 602165226 /nfs/dbraw/zinc/16/52/26/602165226.db2.gz ZYDHKWZHYZDSCW-DOTOQJQBSA-N -1 0 347.459 3.559 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)CCOc1ccccc1Cl ZINC000740714554 602175540 /nfs/dbraw/zinc/17/55/40/602175540.db2.gz SGIHWUHXGGGIQB-UHFFFAOYSA-N -1 0 334.759 3.838 20 0 EHADRM O=C([O-])c1csc(NC(=O)COc2ccc(Cl)c(Cl)c2)c1 ZINC000576060925 602178830 /nfs/dbraw/zinc/17/88/30/602178830.db2.gz YIUCTHCTRUTPRT-UHFFFAOYSA-N -1 0 346.191 3.771 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)C=Cc1ccc2ccccc2n1 ZINC000740714595 602179833 /nfs/dbraw/zinc/17/98/33/602179833.db2.gz UOZMXFCVFURKAJ-QXMHVHEDSA-N -1 0 333.347 3.977 20 0 EHADRM O=C([O-])c1cccc(OCCSCc2cnc(Cl)s2)c1 ZINC000833332345 602180145 /nfs/dbraw/zinc/18/01/45/602180145.db2.gz LUOBXKJNXWVTDP-UHFFFAOYSA-N -1 0 329.830 3.807 20 0 EHADRM O=C([O-])c1csc(NC(=O)COc2ccc(Cl)cc2Cl)c1 ZINC000191351992 602182394 /nfs/dbraw/zinc/18/23/94/602182394.db2.gz NTFFKDWTLBDOHW-UHFFFAOYSA-N -1 0 346.191 3.771 20 0 EHADRM O=C([O-])c1csc(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)c1 ZINC000565987739 602182941 /nfs/dbraw/zinc/18/29/41/602182941.db2.gz KWUVQCULYWBUAI-KSSFIOAISA-N -1 0 327.405 3.679 20 0 EHADRM O=C([O-])c1csc(NC(=O)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000191347748 602185293 /nfs/dbraw/zinc/18/52/93/602185293.db2.gz GCTYQCSHVWAONY-UHFFFAOYSA-N -1 0 329.299 3.646 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)O[C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000827333069 602193846 /nfs/dbraw/zinc/19/38/46/602193846.db2.gz GZWJHNKKYVYUNR-BXUZGUMPSA-N -1 0 345.420 3.842 20 0 EHADRM CC(C)CC[C@H]1CCCCN1C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000663059821 602202014 /nfs/dbraw/zinc/20/20/14/602202014.db2.gz GAWCYCRXRJJVCB-MRXNPFEDSA-N -1 0 333.428 3.581 20 0 EHADRM C[C@@H]1C[C@H](C)CN1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000828168429 602224134 /nfs/dbraw/zinc/22/41/34/602224134.db2.gz OUXUNKVYLHWJNH-QWHCGFSZSA-N -1 0 342.395 3.565 20 0 EHADRM C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000828245928 602228605 /nfs/dbraw/zinc/22/86/05/602228605.db2.gz PIBXFLAVZQHDNW-IUODEOHRSA-N -1 0 342.395 3.613 20 0 EHADRM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)NCC(C)(C)C(=O)[O-] ZINC000832891325 602231097 /nfs/dbraw/zinc/23/10/97/602231097.db2.gz QSTBCHFSUFVYOQ-CQSZACIVSA-N -1 0 347.459 3.606 20 0 EHADRM Cc1cccc(-c2nnc(SCC3CCN(C(=O)[O-])CC3)o2)c1 ZINC000740157971 602232179 /nfs/dbraw/zinc/23/21/79/602232179.db2.gz RZLKEZAPUJEOQJ-UHFFFAOYSA-N -1 0 333.413 3.527 20 0 EHADRM Cc1cccc(C2(C(=O)Nc3ccc4c(c3)CCN4C(=O)[O-])CC2)c1 ZINC000740165935 602237679 /nfs/dbraw/zinc/23/76/79/602237679.db2.gz MDSIWCMTLBXLAX-UHFFFAOYSA-N -1 0 336.391 3.706 20 0 EHADRM CC1(C)C[C@H](NC(=O)c2ccccc2NC(=O)[O-])c2ccccc2O1 ZINC000828056760 602238279 /nfs/dbraw/zinc/23/82/79/602238279.db2.gz WFSXYWZPKIJQQF-HNNXBMFYSA-N -1 0 340.379 3.809 20 0 EHADRM CCn1c(SCc2cc(C(=O)[O-])co2)nnc1-c1ccc(C)cc1 ZINC000830416365 602242480 /nfs/dbraw/zinc/24/24/80/602242480.db2.gz RFWGDBYECDNDOU-UHFFFAOYSA-N -1 0 343.408 3.857 20 0 EHADRM O=C([O-])N1CCN(C(=O)c2cc3ccccc3o2)c2ccccc2C1 ZINC000740525957 602245916 /nfs/dbraw/zinc/24/59/16/602245916.db2.gz GXXFKKLNUUPJEO-UHFFFAOYSA-N -1 0 336.347 3.573 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000829009818 602271616 /nfs/dbraw/zinc/27/16/16/602271616.db2.gz RPUFLIQASSBKKG-ZDUSSCGKSA-N -1 0 326.414 3.617 20 0 EHADRM CC(C)CC1CCN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)CC1 ZINC000826841088 602277261 /nfs/dbraw/zinc/27/72/61/602277261.db2.gz UXGFPDZIKNJJAG-UHFFFAOYSA-N -1 0 348.443 3.830 20 0 EHADRM COc1ccc(Cl)cc1CN(C)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000738013919 602292220 /nfs/dbraw/zinc/29/22/20/602292220.db2.gz PHGBIKZIAYGILN-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM COc1ccc(NC(=O)C(C)(C)c2ccc(F)cc2)cc1NC(=O)[O-] ZINC000739916836 602293113 /nfs/dbraw/zinc/29/31/13/602293113.db2.gz PUDWQJJXGCJXGG-UHFFFAOYSA-N -1 0 346.358 3.841 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)Nc1nc(-c2ccc(F)c(Cl)c2)cs1 ZINC000827324655 602294732 /nfs/dbraw/zinc/29/47/32/602294732.db2.gz IYMRYRPHJCXUCG-SSDOTTSWSA-N -1 0 342.779 3.652 20 0 EHADRM COc1cc(CNc2ccc(C(=O)[O-])c(F)c2)ccc1OC(F)F ZINC000832000140 602303531 /nfs/dbraw/zinc/30/35/31/602303531.db2.gz JYXDWQIILSNJRS-UHFFFAOYSA-N -1 0 341.285 3.746 20 0 EHADRM Cc1ccccc1C1(C(=O)Nc2cccc(CN(C)C(=O)[O-])c2)CC1 ZINC000740187586 602307373 /nfs/dbraw/zinc/30/73/73/602307373.db2.gz SMNLJAKWOUOEBT-UHFFFAOYSA-N -1 0 338.407 3.775 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@@H]1COc2ccc(Cl)cc21 ZINC000832916569 602309689 /nfs/dbraw/zinc/30/96/89/602309689.db2.gz WNXDVBPFPIRFQT-CQSZACIVSA-N -1 0 346.770 3.602 20 0 EHADRM Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)[C@H](C)CC(=O)[O-] ZINC000832992591 602323666 /nfs/dbraw/zinc/32/36/66/602323666.db2.gz NKMYZUOOQJJKAU-YPMHNXCESA-N -1 0 346.452 3.749 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N1CCc2cc(Cl)c(Cl)cc2[C@H]1C ZINC000827264192 602328371 /nfs/dbraw/zinc/32/83/71/602328371.db2.gz XHMCRKUOZMOILS-DTWKUNHWSA-N -1 0 330.211 3.550 20 0 EHADRM CC(C)c1ccc(CCC(=O)N(C)c2ncc(C(=O)[O-])s2)cc1 ZINC000827118761 602333538 /nfs/dbraw/zinc/33/35/38/602333538.db2.gz ZWLSZGVZWRXPBQ-UHFFFAOYSA-N -1 0 332.425 3.560 20 0 EHADRM CC(C)c1cccc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])n1 ZINC000827456429 602349895 /nfs/dbraw/zinc/34/98/95/602349895.db2.gz VZDSIIBXZNLJHV-HNNXBMFYSA-N -1 0 340.423 3.568 20 0 EHADRM Cc1cc(NC(=O)N2CCC(OC(C)(C)C)CC2)ccc1C(=O)[O-] ZINC000821019323 602352317 /nfs/dbraw/zinc/35/23/17/602352317.db2.gz XEXOTVHHHFJRQJ-UHFFFAOYSA-N -1 0 334.416 3.505 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)cc1F ZINC000776645891 602353945 /nfs/dbraw/zinc/35/39/45/602353945.db2.gz CWTSONCQOSNVBV-OXJNMPFZSA-N -1 0 339.366 3.757 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000776645919 602357782 /nfs/dbraw/zinc/35/77/82/602357782.db2.gz DYIXHXWZGOLANO-GHJWDPDVSA-N -1 0 337.391 3.836 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000767207035 602358492 /nfs/dbraw/zinc/35/84/92/602358492.db2.gz WVRLZEGCRFKCKL-UHFFFAOYSA-N -1 0 336.388 3.839 20 0 EHADRM CC(C)c1ccc([C@@H](CNC(=O)[C@H]2CC=CCC2)NC(=O)[O-])cc1 ZINC000738879181 602360985 /nfs/dbraw/zinc/36/09/85/602360985.db2.gz UOKMDLUHBHJIIT-DLBZAZTESA-N -1 0 330.428 3.591 20 0 EHADRM Cc1ccc(CC(=O)N[C@H](CCC(=O)[O-])c2ccccc2)c(Cl)c1 ZINC000832929264 602362696 /nfs/dbraw/zinc/36/26/96/602362696.db2.gz NUMNAJYBQMTSNC-QGZVFWFLSA-N -1 0 345.826 3.913 20 0 EHADRM Cc1ccc(C)c([C@H]2CCCN2C(=O)Nc2cc(C(=O)[O-])n(C)c2)c1 ZINC000832925757 602367128 /nfs/dbraw/zinc/36/71/28/602367128.db2.gz CDRXTAJJZJYGJG-MRXNPFEDSA-N -1 0 341.411 3.709 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000828182920 602374268 /nfs/dbraw/zinc/37/42/68/602374268.db2.gz AKLHGCUUGRGRNW-GXTWGEPZSA-N -1 0 342.370 3.934 20 0 EHADRM O=C([O-])NC1CCC(C(=O)Nc2ccc(OC3CCCC3)cc2)CC1 ZINC000740556774 602376778 /nfs/dbraw/zinc/37/67/78/602376778.db2.gz DDGNBUNPKUAMJF-UHFFFAOYSA-N -1 0 346.427 3.773 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)o1 ZINC000828200992 602386922 /nfs/dbraw/zinc/38/69/22/602386922.db2.gz MWZCEDRRAQXGNY-ZANVPECISA-N -1 0 332.331 3.562 20 0 EHADRM Cc1cc2cc(NC(=O)[C@H]3Cc4ccccc4CN3C(=O)[O-])ccc2[nH]1 ZINC000740096347 602387132 /nfs/dbraw/zinc/38/71/32/602387132.db2.gz QZQPFWXIBVFPFQ-GOSISDBHSA-N -1 0 349.390 3.520 20 0 EHADRM Cc1ccccc1-c1nc(C(=O)N(CC(=O)[O-])C2CCCC2)cs1 ZINC000621575009 602399488 /nfs/dbraw/zinc/39/94/88/602399488.db2.gz LVTZDQXLQYSETM-UHFFFAOYSA-N -1 0 344.436 3.588 20 0 EHADRM Cc1ccc2[nH]c(-c3nc([C@H](CC(C)C)NC(=O)[O-])no3)cc2c1 ZINC000740158130 602407502 /nfs/dbraw/zinc/40/75/02/602407502.db2.gz HLUHWDOLMADSDY-ZDUSSCGKSA-N -1 0 328.372 3.881 20 0 EHADRM CCSc1ccc(-c2nc([C@@H](CC(C)C)NC(=O)[O-])no2)cn1 ZINC000739519405 602408081 /nfs/dbraw/zinc/40/80/81/602408081.db2.gz VXFQTCFKSLDKGN-LLVKDONJSA-N -1 0 336.417 3.598 20 0 EHADRM Cc1ccc(OCCc2nc([C@@H](CC(C)C)NC(=O)[O-])no2)c(C)c1 ZINC000740143563 602410694 /nfs/dbraw/zinc/41/06/94/602410694.db2.gz HWPMXDUWXAMTMO-CQSZACIVSA-N -1 0 347.415 3.663 20 0 EHADRM Cc1ccc(O[C@H](C)c2nc([C@@H](CC(C)C)NC(=O)[O-])no2)cc1 ZINC000740144593 602410741 /nfs/dbraw/zinc/41/07/41/602410741.db2.gz SKTAESDNNWHRPB-TZMCWYRMSA-N -1 0 333.388 3.873 20 0 EHADRM Cc1nc(C(C)C)sc1-c1nc(C2(NC(=O)[O-])CCCC2)no1 ZINC000740215994 602412210 /nfs/dbraw/zinc/41/22/10/602412210.db2.gz XEWJSAUOZIGIRJ-UHFFFAOYSA-N -1 0 336.417 3.662 20 0 EHADRM CC(C)c1ccc(OCc2nc(C3(NC(=O)[O-])CCCC3)no2)cc1 ZINC000738874805 602412758 /nfs/dbraw/zinc/41/27/58/602412758.db2.gz BSAHGDMNCPZXQU-UHFFFAOYSA-N -1 0 345.399 3.809 20 0 EHADRM C[C@@H](NC(=O)[O-])c1nc(-c2ccccc2OCc2ccccc2)no1 ZINC000739017608 602414851 /nfs/dbraw/zinc/41/48/51/602414851.db2.gz GFMYRCURSMRSHJ-GFCCVEGCSA-N -1 0 339.351 3.644 20 0 EHADRM Cc1ccc2oc(C(=O)Nc3cc(NC(=O)[O-])ccc3F)cc2n1 ZINC000740157916 602432729 /nfs/dbraw/zinc/43/27/29/602432729.db2.gz DJXUKKYEQNZLBX-UHFFFAOYSA-N -1 0 329.287 3.618 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2CCCC[C@H]2c2nccs2)c1 ZINC000740027212 602448729 /nfs/dbraw/zinc/44/87/29/602448729.db2.gz PLNSTPOQUPJRDK-ZDUSSCGKSA-N -1 0 331.397 3.600 20 0 EHADRM CC(=O)c1ccc(NC(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000738591772 602455795 /nfs/dbraw/zinc/45/57/95/602455795.db2.gz RTOCJXRVTJZYLR-QGZVFWFLSA-N -1 0 340.379 3.617 20 0 EHADRM CCOc1ccccc1NC(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000739510564 602456342 /nfs/dbraw/zinc/45/63/42/602456342.db2.gz TWFZMLFHZMWKHY-OAHLLOKOSA-N -1 0 342.395 3.813 20 0 EHADRM C[C@H](c1ccco1)N(C)C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000739061546 602458064 /nfs/dbraw/zinc/45/80/64/602458064.db2.gz WCZVYRZOFNQROQ-UKRRQHHQSA-N -1 0 330.384 3.588 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])cc1 ZINC000738592075 602462008 /nfs/dbraw/zinc/46/20/08/602462008.db2.gz VRULPAOZSUAQEX-UHFFFAOYSA-N -1 0 338.363 3.572 20 0 EHADRM CN(C(=O)[O-])C1CCN(C(=S)Nc2ccc3ccccc3c2)CC1 ZINC000737940998 602483364 /nfs/dbraw/zinc/48/33/64/602483364.db2.gz WTGYHSOZKJBQFI-UHFFFAOYSA-N -1 0 343.452 3.611 20 0 EHADRM CC(C)c1ccc(NC(=S)N2CCC(N(C)C(=O)[O-])CC2)cc1 ZINC000737650721 602483655 /nfs/dbraw/zinc/48/36/55/602483655.db2.gz LNNRBJWWLNYYQR-UHFFFAOYSA-N -1 0 335.473 3.581 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CNC(=O)c2ccc(F)c(NC(=O)[O-])c2)o1 ZINC000739086021 602485205 /nfs/dbraw/zinc/48/52/05/602485205.db2.gz DENJUAIBRYSSHE-JOYOIKCWSA-N -1 0 332.331 3.562 20 0 EHADRM O=C([O-])Nc1cc(C(=O)NC2CCC(C(F)(F)F)CC2)ccc1F ZINC000740696756 602496577 /nfs/dbraw/zinc/49/65/77/602496577.db2.gz SWXGMNGIOXNEOV-UHFFFAOYSA-N -1 0 348.296 3.767 20 0 EHADRM CC(C)c1ccccc1OCC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738875102 602499639 /nfs/dbraw/zinc/49/96/39/602499639.db2.gz AOSOAMOTWPAUCF-UHFFFAOYSA-N -1 0 328.368 3.917 20 0 EHADRM Cc1ccc(OCCC(=O)Nc2ccc(NC(=O)[O-])cc2)cc1C ZINC000740149342 602502124 /nfs/dbraw/zinc/50/21/24/602502124.db2.gz XFQQKKAWJIJYDU-UHFFFAOYSA-N -1 0 328.368 3.801 20 0 EHADRM C[C@@H](Oc1ccccc1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739054894 602506062 /nfs/dbraw/zinc/50/60/62/602506062.db2.gz MYZBHBMDFVQEMM-CYBMUJFWSA-N -1 0 340.379 3.523 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)c3cncc4ccccc43)ccc21 ZINC000740472700 602509690 /nfs/dbraw/zinc/50/96/90/602509690.db2.gz WYKIBHRDBWHBGF-UHFFFAOYSA-N -1 0 347.374 3.918 20 0 EHADRM CC(C)COc1ccccc1C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000738836121 602513956 /nfs/dbraw/zinc/51/39/56/602513956.db2.gz XHTTUKLMHVMDCK-UHFFFAOYSA-N -1 0 342.395 3.741 20 0 EHADRM CC[C@@H]1CN(C(=O)c2cc3ccccc3cc2NC(=O)[O-])C[C@H](C)O1 ZINC000739277974 602538057 /nfs/dbraw/zinc/53/80/57/602538057.db2.gz HWJVCHTUNGVJEQ-SWLSCSKDSA-N -1 0 342.395 3.569 20 0 EHADRM CN(C(=O)[O-])C1CCN(C(=O)N[C@H](c2ccccc2)C(C)(C)C)CC1 ZINC000737930433 602561347 /nfs/dbraw/zinc/56/13/47/602561347.db2.gz RTQNVOMUIVDXAY-MRXNPFEDSA-N -1 0 347.459 3.558 20 0 EHADRM Cc1ccc(F)cc1NC(=O)N1CCC[C@@H]([C@H]2CCCN2C(=O)[O-])C1 ZINC000740128852 602581022 /nfs/dbraw/zinc/58/10/22/602581022.db2.gz BYEZOYNBDKAEMC-CZUORRHYSA-N -1 0 349.406 3.520 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)c(F)c1 ZINC000740142259 602581060 /nfs/dbraw/zinc/58/10/60/602581060.db2.gz VQEYDEXHFONYSK-XJKSGUPXSA-N -1 0 349.406 3.520 20 0 EHADRM O=C([O-])NC1(CNC(=O)Nc2ccc3[nH]ccc3c2)CCCCCC1 ZINC000740547891 602595576 /nfs/dbraw/zinc/59/55/76/602595576.db2.gz ORAJFKZIKMQGDL-UHFFFAOYSA-N -1 0 344.415 3.650 20 0 EHADRM C[C@H]1C[C@@H]1CNC(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000739079544 602598159 /nfs/dbraw/zinc/59/81/59/602598159.db2.gz CGWHKLPHVFMDKF-JGVFFNPUSA-N -1 0 331.294 3.573 20 0 EHADRM CC(C)(NC(=O)Nc1ccc(NC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000736324385 602603060 /nfs/dbraw/zinc/60/30/60/602603060.db2.gz LVNQFXKQCDXKMG-UHFFFAOYSA-N -1 0 331.347 3.972 20 0 EHADRM CCCN(CC1CC1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739358898 602605761 /nfs/dbraw/zinc/60/57/61/602605761.db2.gz SDUMDSGJPIGIGU-UHFFFAOYSA-N -1 0 331.416 3.771 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)Cc2coc(-c3cccs3)n2)cc1 ZINC000738664495 602673695 /nfs/dbraw/zinc/67/36/95/602673695.db2.gz GVQOXCQIVIOOBF-UHFFFAOYSA-N -1 0 343.364 3.674 20 0 EHADRM COc1ccccc1[C@H]1CCCCN1C(=O)CCN(C(=O)[O-])C(C)C ZINC000739968185 602676108 /nfs/dbraw/zinc/67/61/08/602676108.db2.gz CMRLAWYNHMCDQJ-MRXNPFEDSA-N -1 0 348.443 3.527 20 0 EHADRM Cc1cc2nc(Oc3cccc(CNC(=O)[O-])c3)c3ccccc3n2n1 ZINC000740095273 602687248 /nfs/dbraw/zinc/68/72/48/602687248.db2.gz MBXULYKNAYIDJW-UHFFFAOYSA-N -1 0 348.362 3.751 20 0 EHADRM Cc1ccc(C(C)C)cc1OC(=O)c1csc(CNC(=O)[O-])n1 ZINC000740110676 602728350 /nfs/dbraw/zinc/72/83/50/602728350.db2.gz PAOKBHYTJXJPGF-UHFFFAOYSA-N -1 0 334.397 3.562 20 0 EHADRM CCN(Cc1ccccc1NC(=O)CO[C@@H]1CCC[C@H](C)C1)C(=O)[O-] ZINC000739444118 602731899 /nfs/dbraw/zinc/73/18/99/602731899.db2.gz OVMCFTAQMYHNDV-GOEBONIOSA-N -1 0 348.443 3.720 20 0 EHADRM CC(C)(CCCc1ccccc1)C(=O)NCC[C@H]1CCN(C(=O)[O-])C1 ZINC000738746338 602734134 /nfs/dbraw/zinc/73/41/34/602734134.db2.gz GYQLDKMACBELCR-KRWDZBQOSA-N -1 0 346.471 3.542 20 0 EHADRM C[C@H](NC(=O)CCC(C)(C)NC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000738960237 602785371 /nfs/dbraw/zinc/78/53/71/602785371.db2.gz JKXCLMGOFWKWPH-VIFPVBQESA-N -1 0 347.242 3.997 20 0 EHADRM C[C@@H](NC(=O)CCC(C)(C)NC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000738960235 602785507 /nfs/dbraw/zinc/78/55/07/602785507.db2.gz JKXCLMGOFWKWPH-SECBINFHSA-N -1 0 347.242 3.997 20 0 EHADRM Cc1cccc(C(=O)N2CCCc3cc(CNC(=O)[O-])ccc32)c1C ZINC000740161541 602789670 /nfs/dbraw/zinc/78/96/70/602789670.db2.gz DJTSACBYOLOMPE-UHFFFAOYSA-N -1 0 338.407 3.664 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CCC(C)(C)NC(=O)[O-])C2CC2)o1 ZINC000739089262 602790803 /nfs/dbraw/zinc/79/08/03/602790803.db2.gz YSCAQFVYTHFZHH-DOMZBBRYSA-N -1 0 348.443 3.720 20 0 EHADRM CC(C)(CCC(=O)Nc1cccc(SC(F)F)c1)NC(=O)[O-] ZINC000738743910 602802353 /nfs/dbraw/zinc/80/23/53/602802353.db2.gz KNKVGAATFSXRIP-UHFFFAOYSA-N -1 0 332.372 3.766 20 0 EHADRM CC(C)(CCC(=O)Nc1ccc(Oc2ccccn2)cc1)NC(=O)[O-] ZINC000738744058 602807878 /nfs/dbraw/zinc/80/78/78/602807878.db2.gz NIGKHHMLNZFPEM-UHFFFAOYSA-N -1 0 343.383 3.639 20 0 EHADRM COc1cc(Cl)c(-c2csc(CN(C)C(=O)[O-])n2)cc1OC ZINC000739860276 602810178 /nfs/dbraw/zinc/81/01/78/602810178.db2.gz MHQGEWWSLPOMPG-UHFFFAOYSA-N -1 0 342.804 3.591 20 0 EHADRM CC(C)[C@@H](NC(=O)C[C@H](C)NC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000824615492 602817474 /nfs/dbraw/zinc/81/74/74/602817474.db2.gz UPJPGZWLXUCZDH-IINYFYTJSA-N -1 0 346.349 3.565 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)N(C)C2CCN(C(=O)[O-])CC2)cc1 ZINC000738874272 602822214 /nfs/dbraw/zinc/82/22/14/602822214.db2.gz ACLVCYSTEJERKW-HNNXBMFYSA-N -1 0 346.471 3.904 20 0 EHADRM CC(C)(CCC(=O)N1CCC[C@H](c2ccccc2)CC1)NC(=O)[O-] ZINC000738738784 602831232 /nfs/dbraw/zinc/83/12/32/602831232.db2.gz KFNWELPEUOUHKF-INIZCTEOSA-N -1 0 332.444 3.609 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)N2CCC(CN(C)C(=O)[O-])CC2)cc1 ZINC000739545529 602831949 /nfs/dbraw/zinc/83/19/49/602831949.db2.gz XCJWFNVERVGTJP-HNNXBMFYSA-N -1 0 346.471 3.591 20 0 EHADRM C[C@@H](C(=O)N1CCCc2cc(CNC(=O)[O-])ccc21)c1cccs1 ZINC000738619149 602834148 /nfs/dbraw/zinc/83/41/48/602834148.db2.gz LEYMOKDDTCHIGW-GFCCVEGCSA-N -1 0 344.436 3.599 20 0 EHADRM CCCCC[C@H](NC(=O)N1CC[C@H](NC(=O)[O-])[C@@H](C)C1)C(C)(C)C ZINC000739327841 602837118 /nfs/dbraw/zinc/83/71/18/602837118.db2.gz AJUGJHAUVWLNJG-KKUMJFAQSA-N -1 0 341.496 3.669 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)c2coc3ccccc23)c1 ZINC000739918310 602842157 /nfs/dbraw/zinc/84/21/57/602842157.db2.gz QKYKLNDZASUAIQ-UHFFFAOYSA-N -1 0 326.308 3.784 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccccc2C(C)(C)C)C[C@H](C)N1C(=O)[O-] ZINC000739145050 602939174 /nfs/dbraw/zinc/93/91/74/602939174.db2.gz KRGLJSVRFGMHEN-STQMWFEESA-N -1 0 333.432 3.589 20 0 EHADRM C[C@@H](Cc1nc(C2(NC(=O)[O-])CCCC2)no1)c1cccc(F)c1 ZINC000738943778 602950343 /nfs/dbraw/zinc/95/03/43/602950343.db2.gz HMHPOAGRXSNNDD-NSHDSACASA-N -1 0 333.363 3.592 20 0 EHADRM O=C([O-])NC1(c2noc([C@H]3C[C@@H]3c3c(F)cccc3F)n2)CCCC1 ZINC000740547807 602950820 /nfs/dbraw/zinc/95/08/20/602950820.db2.gz DIXDZSVUKQAVCT-UWVGGRQHSA-N -1 0 349.337 3.656 20 0 EHADRM C[C@H](C(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823654224 602951614 /nfs/dbraw/zinc/95/16/14/602951614.db2.gz HTKKORABLBJHER-KSIDHJATSA-N -1 0 344.455 3.811 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)cc1 ZINC000738666280 602958193 /nfs/dbraw/zinc/95/81/93/602958193.db2.gz DPGPTKYMOGANGL-GXTWGEPZSA-N -1 0 333.290 3.764 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)c2cccn2Cc2cccs2)cc1 ZINC000738668365 602958213 /nfs/dbraw/zinc/95/82/13/602958213.db2.gz HKBFAOMSWFNLGJ-UHFFFAOYSA-N -1 0 342.376 3.907 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)C=Cc2ccc3ccccc3n2)cc1 ZINC000738667297 602959918 /nfs/dbraw/zinc/95/99/18/602959918.db2.gz NNMSHVGHEQHWKP-XFXZXTDPSA-N -1 0 334.331 3.944 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)[C@H]1CCC[C@@H]1NC(=O)[O-] ZINC000739364607 602963016 /nfs/dbraw/zinc/96/30/16/602963016.db2.gz OCKQFMNVIQNPIT-RYUDHWBXSA-N -1 0 340.807 3.504 20 0 EHADRM O=C([O-])N1CC[C@H](c2nc(-c3ccc(-c4ccccc4)cc3)no2)C1 ZINC000740508900 602972864 /nfs/dbraw/zinc/97/28/64/602972864.db2.gz GPYVSGNMBAVPLR-INIZCTEOSA-N -1 0 335.363 3.871 20 0 EHADRM Cc1ccc(C(=O)N2CCc3c(Cl)cccc3C2)cc1NC(=O)[O-] ZINC000830199380 602975394 /nfs/dbraw/zinc/97/53/94/602975394.db2.gz WPTZPTHBMRKSCG-UHFFFAOYSA-N -1 0 344.798 3.937 20 0 EHADRM CC(C)Oc1ccc(OC(=O)Cc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738866093 602980026 /nfs/dbraw/zinc/98/00/26/602980026.db2.gz XYWJQVLRWULWDW-UHFFFAOYSA-N -1 0 329.352 3.712 20 0 EHADRM COc1cccc2cc(-c3nc([C@@H](CC(C)C)NC(=O)[O-])no3)oc21 ZINC000739958249 603001311 /nfs/dbraw/zinc/00/13/11/603001311.db2.gz GMIIEIFSXSKGME-LLVKDONJSA-N -1 0 345.355 3.846 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)C=Cc1ccnc2ccccc12 ZINC000740713843 603007304 /nfs/dbraw/zinc/00/73/04/603007304.db2.gz BMOAQCQNFOZLER-MDZDMXLPSA-N -1 0 333.347 3.977 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CC3(CC3)c3ccccc32)ccc1F ZINC000740692423 603008622 /nfs/dbraw/zinc/00/86/22/603008622.db2.gz CFGZUGKOYMPCMB-UHFFFAOYSA-N -1 0 326.327 3.608 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc([C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000738909769 603022598 /nfs/dbraw/zinc/02/25/98/603022598.db2.gz QIXNCTWMFIDXHR-OPRDCNLKSA-N -1 0 335.326 3.619 20 0 EHADRM CCOc1ccccc1CNC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739504729 603034839 /nfs/dbraw/zinc/03/48/39/603034839.db2.gz FRXGHLBTEDZVTO-UHFFFAOYSA-N -1 0 347.346 3.636 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)c1 ZINC000740707387 603040210 /nfs/dbraw/zinc/04/02/10/603040210.db2.gz PDSAIJMATGVURF-GXTWGEPZSA-N -1 0 347.321 3.732 20 0 EHADRM CCC[C@@H](NC(=O)Nc1cc(NC(=O)[O-])ccc1F)c1ccccn1 ZINC000739302184 603040828 /nfs/dbraw/zinc/04/08/28/603040828.db2.gz IUOHGCNQDKECBB-CQSZACIVSA-N -1 0 346.362 3.974 20 0 EHADRM CS[C@@H]1CCC[C@H](NC(=O)Nc2cc(NC(=O)[O-])ccc2F)C1 ZINC000739999792 603041246 /nfs/dbraw/zinc/04/12/46/603041246.db2.gz LZWOKKPOMIZWKQ-GXSJLCMTSA-N -1 0 341.408 3.711 20 0 EHADRM O=C([O-])NCCSc1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000740668723 603048528 /nfs/dbraw/zinc/04/85/28/603048528.db2.gz UVYADCHOSDACDT-UHFFFAOYSA-N -1 0 349.412 3.857 20 0 EHADRM Cc1c(NC(=O)CC2CCN(C(=O)[O-])CC2)sc2c1CCCC2 ZINC000740045999 603061786 /nfs/dbraw/zinc/06/17/86/603061786.db2.gz MVCCYYMWHGGWDW-UHFFFAOYSA-N -1 0 336.457 3.654 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000739234884 603079828 /nfs/dbraw/zinc/07/98/28/603079828.db2.gz LXYVYUMUVIXTLR-CXAGYDPISA-N -1 0 348.443 3.767 20 0 EHADRM CC(C)[C@H](C)N(CC(F)(F)F)C(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000738770561 603100458 /nfs/dbraw/zinc/10/04/58/603100458.db2.gz XKDUMXBMQXILAJ-NSHDSACASA-N -1 0 346.349 3.503 20 0 EHADRM C[C@@H](OC(=O)CCC(C)(C)NC(=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000739041754 603104988 /nfs/dbraw/zinc/10/49/88/603104988.db2.gz LAGVIBNKVDFHMI-GFCCVEGCSA-N -1 0 346.383 3.772 20 0 EHADRM Cc1ccc(NC(=O)CNc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1C ZINC000740133884 603105719 /nfs/dbraw/zinc/10/57/19/603105719.db2.gz AGUOGUWHDIFUPK-CQSZACIVSA-N -1 0 341.411 3.683 20 0 EHADRM CC[C@@H](CC1CCCCC1)C(=O)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000739258950 603111724 /nfs/dbraw/zinc/11/17/24/603111724.db2.gz YISJAROGWLPMTE-HOCLYGCPSA-N -1 0 338.492 3.878 20 0 EHADRM CC[C@H]1CCCCCN1C(=O)Nc1ccc(NC(=O)[O-])c(OC)c1 ZINC000739273647 603136799 /nfs/dbraw/zinc/13/67/99/603136799.db2.gz UREKBNZFRSVKNC-ZDUSSCGKSA-N -1 0 335.404 3.972 20 0 EHADRM CCN(Cc1cccc(NC(=O)N(C)Cc2ccccc2)c1)C(=O)[O-] ZINC000739444245 603142829 /nfs/dbraw/zinc/14/28/29/603142829.db2.gz XALNALAJRIURCW-UHFFFAOYSA-N -1 0 341.411 3.850 20 0 EHADRM Cc1ccc2cccc(-c3nc([C@H](CC(C)C)NC(=O)[O-])no3)c2n1 ZINC000740156269 603146715 /nfs/dbraw/zinc/14/67/15/603146715.db2.gz YEGBJRXRNJMUCK-AWEZNQCLSA-N -1 0 340.383 3.948 20 0 EHADRM Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc(NC(=O)[O-])cc2)c1 ZINC000830274073 603155596 /nfs/dbraw/zinc/15/55/96/603155596.db2.gz DMEJERMMIPXATK-ZDUSSCGKSA-N -1 0 328.368 3.799 20 0 EHADRM CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(NC(=O)[O-])cc2)cc1 ZINC000827439989 603157930 /nfs/dbraw/zinc/15/79/30/603157930.db2.gz VQERTYPCQMKEAE-GFCCVEGCSA-N -1 0 344.367 3.581 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)N(Cc2ccco2)c2ccccc2)C1 ZINC000740564021 603159102 /nfs/dbraw/zinc/15/91/02/603159102.db2.gz MCZNYLCQINTLFF-LSDHHAIUSA-N -1 0 342.395 3.639 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)Nc2ccc(Cl)c3cccnc23)C1 ZINC000740577163 603163320 /nfs/dbraw/zinc/16/33/20/603163320.db2.gz VTNSJBKRPGFSPL-WDEREUQCSA-N -1 0 347.802 3.653 20 0 EHADRM O=C([O-])NC1(C(=O)Nc2ccc3ccccc3c2)Cc2ccccc2C1 ZINC000740543508 603163519 /nfs/dbraw/zinc/16/35/19/603163519.db2.gz UZMCSEHFUZFGPO-UHFFFAOYSA-N -1 0 346.386 3.584 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C)C(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739060386 603165507 /nfs/dbraw/zinc/16/55/07/603165507.db2.gz UHNLEBDGOBKSFV-FRRDWIJNSA-N -1 0 338.835 3.686 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)c(C)c1 ZINC000740108722 603166773 /nfs/dbraw/zinc/16/67/73/603166773.db2.gz BHPRHDJAXZKIFE-HRCADAONSA-N -1 0 332.444 3.649 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000825023748 603172898 /nfs/dbraw/zinc/17/28/98/603172898.db2.gz NEBXHAZQGRWLRA-ZIAGYGMSSA-N -1 0 326.396 3.833 20 0 EHADRM Cc1ccccc1CCC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000830566612 603174169 /nfs/dbraw/zinc/17/41/69/603174169.db2.gz DBUGZRSYSTUYPN-CQSZACIVSA-N -1 0 326.396 3.895 20 0 EHADRM CCOc1ccc(NC(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)cc1Cl ZINC000739506583 603174442 /nfs/dbraw/zinc/17/44/42/603174442.db2.gz MIJKDWGXFVNSHS-QWRGUYRKSA-N -1 0 340.807 3.504 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)[C@H](C)c2cccc(F)c2)cc1 ZINC000825415605 603176452 /nfs/dbraw/zinc/17/64/52/603176452.db2.gz HAAHYHDNLPEUEI-VXGBXAGGSA-N -1 0 330.359 3.897 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)[C@@H](C)c2ccccc2F)cc1 ZINC000825415763 603180744 /nfs/dbraw/zinc/18/07/44/603180744.db2.gz ICFUDIPPYYTDAM-NWDGAFQWSA-N -1 0 330.359 3.897 20 0 EHADRM O=C([O-])N1CCc2c(cccc2NC(=O)c2ccc(Cl)cc2F)C1 ZINC000740473718 603181942 /nfs/dbraw/zinc/18/19/42/603181942.db2.gz IMICIKFBNJDHMX-UHFFFAOYSA-N -1 0 348.761 3.768 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cc(Cl)ccc2Cl)CC[C@H]1NC(=O)[O-] ZINC000739143295 603184212 /nfs/dbraw/zinc/18/42/12/603184212.db2.gz BTARGMSYWXJWCH-GZMMTYOYSA-N -1 0 346.214 3.503 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)COc2ccccc2Cl)cc1 ZINC000825421960 603188186 /nfs/dbraw/zinc/18/81/86/603188186.db2.gz DHSPTBPFYPHMOU-LLVKDONJSA-N -1 0 348.786 3.686 20 0 EHADRM Cc1noc(C(C)C)c1C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000830898345 603192578 /nfs/dbraw/zinc/19/25/78/603192578.db2.gz AGUNYWMMGQGQBS-SNVBAGLBSA-N -1 0 331.372 3.687 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2cnc3ccsc3c2)cc1 ZINC000825448650 603196382 /nfs/dbraw/zinc/19/63/82/603196382.db2.gz GPRRFEMLRDALAW-JTQLQIEISA-N -1 0 341.392 3.877 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(F)c(NC(=O)[O-])c2)[C@H]1c1ccccc1 ZINC000826034587 603202106 /nfs/dbraw/zinc/20/21/06/603202106.db2.gz KWLAZBLPYLLFOZ-BDJLRTHQSA-N -1 0 328.343 3.749 20 0 EHADRM C[C@@H](CCc1ccco1)NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000738907794 603205977 /nfs/dbraw/zinc/20/59/77/603205977.db2.gz NAZYOANMVATVJP-JTQLQIEISA-N -1 0 336.775 3.774 20 0 EHADRM Cc1cccc(OCCNC(=O)c2ccc(NC(=O)[O-])cc2Cl)c1 ZINC000740173561 603207146 /nfs/dbraw/zinc/20/71/46/603207146.db2.gz OBTRJDZZKDSZLO-UHFFFAOYSA-N -1 0 348.786 3.547 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2cc(F)cc(F)c2)c(Cl)c1 ZINC000740700582 603210177 /nfs/dbraw/zinc/21/01/77/603210177.db2.gz SCNJVVVVXGYWAP-UHFFFAOYSA-N -1 0 326.686 3.960 20 0 EHADRM C[C@H](C(=O)NCc1ccccc1Cl)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823703502 603216265 /nfs/dbraw/zinc/21/62/65/603216265.db2.gz OUYBJJXMRYJSRE-BLLLJJGKSA-N -1 0 346.814 3.601 20 0 EHADRM O=C([O-])N1CC[C@H](C(=O)Nc2ccccc2SC2CCCC2)C1 ZINC000740475536 603218058 /nfs/dbraw/zinc/21/80/58/603218058.db2.gz DPNZTTUVLYQUSP-LBPRGKRZSA-N -1 0 334.441 3.660 20 0 EHADRM CC(C)Cc1ccc([C@@H](C)NC(=O)c2ccc(CNC(=O)[O-])o2)cc1 ZINC000824310860 603228799 /nfs/dbraw/zinc/22/87/99/603228799.db2.gz GSJVANYSKCBZQX-CYBMUJFWSA-N -1 0 344.411 3.737 20 0 EHADRM CC(C)N(CCC(=O)Nc1cccc(Oc2ccccn2)c1)C(=O)[O-] ZINC000824341027 603229227 /nfs/dbraw/zinc/22/92/27/603229227.db2.gz BTYBDOCLXORDHQ-UHFFFAOYSA-N -1 0 343.383 3.591 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)o1 ZINC000830281434 603230707 /nfs/dbraw/zinc/23/07/07/603230707.db2.gz GOEPBUSEQVZXKW-BVUBDWEXSA-N -1 0 348.443 3.714 20 0 EHADRM O=C([O-])N1CCc2c(cccc2NCc2cc(-c3ccccc3)no2)C1 ZINC000740528677 603234645 /nfs/dbraw/zinc/23/46/45/603234645.db2.gz CZBMMKOJYLILEO-UHFFFAOYSA-N -1 0 349.390 3.990 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NCc1ccccc1C ZINC000829187125 603238662 /nfs/dbraw/zinc/23/86/62/603238662.db2.gz CZCIXOYFPXRQFI-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM CCN(Cc1cccs1)C(=O)[C@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000827192956 603242343 /nfs/dbraw/zinc/24/23/43/603242343.db2.gz FOBNSDVDSACCHZ-CJNGLKHVSA-N -1 0 346.452 3.742 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)Nc2ccc(F)cc2F)cc1 ZINC000825442585 603249063 /nfs/dbraw/zinc/24/90/63/603249063.db2.gz KUXPNQGBGVQILK-SECBINFHSA-N -1 0 335.310 3.937 20 0 EHADRM O=C([O-])N1CCC[C@@H]1C1CCN(C(=O)C2CCCCCCC2)CC1 ZINC000740344575 603250519 /nfs/dbraw/zinc/25/05/19/603250519.db2.gz IAUDJSAEEZWEAE-QGZVFWFLSA-N -1 0 336.476 3.728 20 0 EHADRM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)Nc1cccc(Cl)c1Cl ZINC000832484233 603250586 /nfs/dbraw/zinc/25/05/86/603250586.db2.gz WCIAOEYEEGNRSV-WCBMZHEXSA-N -1 0 346.214 3.551 20 0 EHADRM CC(C)(NC(=O)c1ccc(NC(=O)[O-])cc1Cl)c1nccs1 ZINC000738757469 603251696 /nfs/dbraw/zinc/25/16/96/603251696.db2.gz KJUOCPFQYNZKPZ-UHFFFAOYSA-N -1 0 339.804 3.552 20 0 EHADRM C[C@@H](C(=O)Nc1cc(F)cc(F)c1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823712925 603262926 /nfs/dbraw/zinc/26/29/26/603262926.db2.gz LTAQIKYKFRWQFI-MEBBXXQBSA-N -1 0 334.322 3.548 20 0 EHADRM Cn1cccc1[C@H]1CCCN1C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000740295919 603268882 /nfs/dbraw/zinc/26/88/82/603268882.db2.gz UVHSQSWNSIRDBJ-OAHLLOKOSA-N -1 0 347.802 3.746 20 0 EHADRM CC(C)Sc1c(Cl)cccc1NC(=O)CCCNC(=O)[O-] ZINC000736500440 603272265 /nfs/dbraw/zinc/27/22/65/603272265.db2.gz ZPZNNRMKNFXQIB-UHFFFAOYSA-N -1 0 330.837 3.827 20 0 EHADRM O=C([O-])N1CCC[C@@H]1CC(=O)Nc1ccccc1-c1cccs1 ZINC000831340160 603284837 /nfs/dbraw/zinc/28/48/37/603284837.db2.gz SCEKVUGDXUFZLS-GFCCVEGCSA-N -1 0 330.409 3.886 20 0 EHADRM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(CNC(=O)[O-])o1 ZINC000825623762 603290524 /nfs/dbraw/zinc/29/05/24/603290524.db2.gz OWLMGXBRPWIJTI-NSHDSACASA-N -1 0 342.351 3.627 20 0 EHADRM Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)CCCNC(=O)[O-] ZINC000738798506 603299863 /nfs/dbraw/zinc/29/98/63/603299863.db2.gz LKDWBROSWQRVNK-OAHLLOKOSA-N -1 0 346.452 3.504 20 0 EHADRM CC[C@H](NC(=O)[O-])C(=O)N[C@H](Cc1ccccc1)c1sccc1C ZINC000739529787 603300281 /nfs/dbraw/zinc/30/02/81/603300281.db2.gz SKYMCUMJLPOTFF-LSDHHAIUSA-N -1 0 346.452 3.503 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NCCCNc2ccccc2)c(Cl)c1 ZINC000740699431 603309483 /nfs/dbraw/zinc/30/94/83/603309483.db2.gz QYOWROYPBAJKAR-UHFFFAOYSA-N -1 0 347.802 3.662 20 0 EHADRM CC(C)c1nc2cc(NC(=O)c3ccc(CNC(=O)[O-])o3)ccc2o1 ZINC000824488506 603315113 /nfs/dbraw/zinc/31/51/13/603315113.db2.gz PUAZNBXFSMZZIR-UHFFFAOYSA-N -1 0 343.339 3.564 20 0 EHADRM CCN(Cc1cccs1)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739446497 603325198 /nfs/dbraw/zinc/32/51/98/603325198.db2.gz YDNXKTSBGIEJPJ-UHFFFAOYSA-N -1 0 333.413 3.570 20 0 EHADRM Cc1ccc2c(c1)[C@H](NC(=O)Nc1cccc(CNC(=O)[O-])c1)CC2 ZINC000740152519 603329146 /nfs/dbraw/zinc/32/91/46/603329146.db2.gz FKRPFASEODEIPX-QGZVFWFLSA-N -1 0 339.395 3.572 20 0 EHADRM CN(Cc1ccccc1NC(=O)N1CCC2(CCCC2)C1)C(=O)[O-] ZINC000828400348 603330637 /nfs/dbraw/zinc/33/06/37/603330637.db2.gz XUHNYGSPSISHIX-UHFFFAOYSA-N -1 0 331.416 3.594 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000740676312 603331587 /nfs/dbraw/zinc/33/15/87/603331587.db2.gz FPNRKJIWWZMZBU-KRWDZBQOSA-N -1 0 339.395 3.653 20 0 EHADRM C[C@@H](NC(=O)Nc1ccccc1CN(C)C(=O)[O-])c1ccccc1 ZINC000738978615 603333633 /nfs/dbraw/zinc/33/36/33/603333633.db2.gz KEAQJYOYBPLWIR-CYBMUJFWSA-N -1 0 327.384 3.679 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000739268788 603335407 /nfs/dbraw/zinc/33/54/07/603335407.db2.gz UKZBPLAXTPIAJL-HIFRSBDPSA-N -1 0 333.432 3.887 20 0 EHADRM CC1CCC(N(C)C(=O)Nc2ccccc2CN(C)C(=O)[O-])CC1 ZINC000739087817 603335582 /nfs/dbraw/zinc/33/55/82/603335582.db2.gz SYUNAXZJBDMHBT-UHFFFAOYSA-N -1 0 333.432 3.839 20 0 EHADRM C[C@@H](Cc1ccsc1)NC(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000738946608 603340499 /nfs/dbraw/zinc/34/04/99/603340499.db2.gz SHCZKLKWOQIFEJ-LBPRGKRZSA-N -1 0 347.440 3.611 20 0 EHADRM C[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000739097384 603342148 /nfs/dbraw/zinc/34/21/48/603342148.db2.gz GOWCYIHYTZJJIN-BBRMVZONSA-N -1 0 333.432 3.839 20 0 EHADRM CCN(Cc1ccccc1NC(=O)NCCc1cccs1)C(=O)[O-] ZINC000739442852 603351036 /nfs/dbraw/zinc/35/10/36/603351036.db2.gz MYGUQMCNCKUFOL-UHFFFAOYSA-N -1 0 347.440 3.612 20 0 EHADRM CCN(Cc1ccccc1NC(=O)[C@H](C)c1ccc(C)o1)C(=O)[O-] ZINC000827182427 603352666 /nfs/dbraw/zinc/35/26/66/603352666.db2.gz LQUZDTXRVQEJRO-CYBMUJFWSA-N -1 0 330.384 3.830 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N1CCC[C@@H](C)CC1)C(=O)[O-] ZINC000739449552 603353562 /nfs/dbraw/zinc/35/35/62/603353562.db2.gz YOBDBWRXGJPGSK-CQSZACIVSA-N -1 0 333.432 3.840 20 0 EHADRM CCN(C(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1)c1ccccc1C ZINC000826969092 603355704 /nfs/dbraw/zinc/35/57/04/603355704.db2.gz AGGCJYOTMCRGNJ-YJBOKZPZSA-N -1 0 340.423 3.993 20 0 EHADRM C[C@H](Cc1cccs1)NC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000825031201 603365221 /nfs/dbraw/zinc/36/52/21/603365221.db2.gz SQXNEEVTYAPPEC-NEPJUHHUSA-N -1 0 347.440 3.829 20 0 EHADRM C[C@@H](Cc1nnc(SC[C@H]2CCN(C(=O)[O-])C2)o1)c1ccccc1 ZINC000738945729 603371409 /nfs/dbraw/zinc/37/14/09/603371409.db2.gz OYBSGLHJILDBES-STQMWFEESA-N -1 0 347.440 3.508 20 0 EHADRM O=C([O-])N1CCC[C@H]1CC(=O)N1CCC[C@H]1c1ccccc1Cl ZINC000832006667 603371798 /nfs/dbraw/zinc/37/17/98/603371798.db2.gz UDCRERYNPKXOEL-WFASDCNBSA-N -1 0 336.819 3.536 20 0 EHADRM CCC1CCN(C(=O)c2cc(Cl)c(NC(=O)[O-])cc2OC)CC1 ZINC000826675408 603372916 /nfs/dbraw/zinc/37/29/16/603372916.db2.gz KEGBHNKBSCHIGY-UHFFFAOYSA-N -1 0 340.807 3.701 20 0 EHADRM Cc1ccc(C)c(NC(=S)NC[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000740115437 603378981 /nfs/dbraw/zinc/37/89/81/603378981.db2.gz JOPAOFDABICXRE-INIZCTEOSA-N -1 0 343.452 3.599 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N(Cc2ccc(F)cc2)CC2CC2)c1 ZINC000740027583 603399398 /nfs/dbraw/zinc/39/93/98/603399398.db2.gz XGSWIZLPBHRNGP-UHFFFAOYSA-N -1 0 342.370 3.968 20 0 EHADRM CN(Cc1ccccc1NC(=O)c1cc2cccc(F)c2o1)C(=O)[O-] ZINC000739714872 603403657 /nfs/dbraw/zinc/40/36/57/603403657.db2.gz CKDJIUUYMVGYOX-UHFFFAOYSA-N -1 0 342.326 3.934 20 0 EHADRM COc1ccccc1-c1noc(-c2ccc(C)c(NC(=O)[O-])c2)n1 ZINC000829585892 603406971 /nfs/dbraw/zinc/40/69/71/603406971.db2.gz MFVKEEUZZVJVDI-UHFFFAOYSA-N -1 0 325.324 3.811 20 0 EHADRM C[C@H]1CCCC[C@@H]1OCC(=O)N1CCCN(C(=O)[O-])c2ccccc21 ZINC000739103371 603429861 /nfs/dbraw/zinc/42/98/61/603429861.db2.gz ZPNZXOWKZAZZRM-YOEHRIQHSA-N -1 0 346.427 3.503 20 0 EHADRM O=C([O-])N1CCCN(C(=O)c2ccc3cc[nH]c3c2)c2ccccc21 ZINC000740515860 603431084 /nfs/dbraw/zinc/43/10/84/603431084.db2.gz LUKHQHIRSXAYEC-UHFFFAOYSA-N -1 0 335.363 3.703 20 0 EHADRM CC(C)(C)c1cc(C(=O)N2CCCN(C(=O)[O-])c3ccccc32)no1 ZINC000738731947 603431489 /nfs/dbraw/zinc/43/14/89/603431489.db2.gz USTGTJMQJLQOJN-UHFFFAOYSA-N -1 0 343.383 3.507 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Cc2ccc(NC(=O)[O-])cc2)cc1F ZINC000830250628 603448619 /nfs/dbraw/zinc/44/86/19/603448619.db2.gz GZHXYDLRVYQFHE-LBPRGKRZSA-N -1 0 330.359 3.644 20 0 EHADRM CCc1ccccc1NC(=O)N1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000827605150 603451241 /nfs/dbraw/zinc/45/12/41/603451241.db2.gz VLMWAODKJNBQBL-UHFFFAOYSA-N -1 0 345.443 3.635 20 0 EHADRM CCOC(=O)Nc1ccc(C(=O)Oc2cccc(NC(=O)[O-])c2)cc1 ZINC000737873459 603476032 /nfs/dbraw/zinc/47/60/32/603476032.db2.gz QYBJEJPUKVOOBS-UHFFFAOYSA-N -1 0 344.323 3.564 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000829593222 603476172 /nfs/dbraw/zinc/47/61/72/603476172.db2.gz YJCBXOMMPDTGCW-UHFFFAOYSA-N -1 0 329.352 3.668 20 0 EHADRM CC(C)OCc1ccc(C(=O)Oc2cccc(NC(=O)[O-])c2)cc1 ZINC000824404650 603477309 /nfs/dbraw/zinc/47/73/09/603477309.db2.gz KOZSAISTMRREQN-UHFFFAOYSA-N -1 0 329.352 3.921 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N(C)C1CCC(NC(=O)[O-])CC1 ZINC000829840026 603487018 /nfs/dbraw/zinc/48/70/18/603487018.db2.gz UVYGIPXZXJKTMP-UHFFFAOYSA-N -1 0 348.374 3.531 20 0 EHADRM CC(C)C[C@@H]1CCN(C(=O)Nc2cccc(CN(C)C(=O)[O-])c2)C1 ZINC000824231414 603600426 /nfs/dbraw/zinc/60/04/26/603600426.db2.gz IFKVNWKUCLJKLZ-HNNXBMFYSA-N -1 0 333.432 3.696 20 0 EHADRM Cc1cccc(NC(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)[O-])C2)c1Cl ZINC000830516662 603608945 /nfs/dbraw/zinc/60/89/45/603608945.db2.gz IVVCLNXDUARGLZ-NWDGAFQWSA-N -1 0 339.823 3.548 20 0 EHADRM CN(Cc1ccccc1NC(=O)c1cccc2cnccc21)C(=O)[O-] ZINC000828399739 603611321 /nfs/dbraw/zinc/61/13/21/603611321.db2.gz FNMUDVPZWKRCSH-UHFFFAOYSA-N -1 0 335.363 3.597 20 0 EHADRM C[C@@H](CCOc1ccccc1)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000824809315 603615382 /nfs/dbraw/zinc/61/53/82/603615382.db2.gz FPCHEQIXSWLSTL-LBPRGKRZSA-N -1 0 346.358 3.959 20 0 EHADRM Cc1c(NC(=O)c2ccc(CNC(=O)[O-])o2)sc2c1CCCC2 ZINC000829882987 603634215 /nfs/dbraw/zinc/63/42/15/603634215.db2.gz BTLDTJXPJLRZSC-UHFFFAOYSA-N -1 0 334.397 3.548 20 0 EHADRM CC(C)CC1(C(=O)N2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)CCC1 ZINC000824223574 603649973 /nfs/dbraw/zinc/64/99/73/603649973.db2.gz GJYFSCPPZQLLCY-JKSUJKDBSA-N -1 0 336.476 3.584 20 0 EHADRM Cc1nc(C)c(NC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)s1 ZINC000830727312 603770810 /nfs/dbraw/zinc/77/08/10/603770810.db2.gz ILFRIKGBALVCFX-QMMMGPOBSA-N -1 0 334.401 3.733 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N(CCC(F)(F)F)CC2CC2)ccc1F ZINC000832817677 603776952 /nfs/dbraw/zinc/77/69/52/603776952.db2.gz KTUNKUVUABWFED-UHFFFAOYSA-N -1 0 348.296 3.720 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(NC(=O)[O-])cc1)c1ccc(F)cc1F ZINC000738988981 603804436 /nfs/dbraw/zinc/80/44/36/603804436.db2.gz QGQCHEIOJLJAPO-SECBINFHSA-N -1 0 335.310 3.937 20 0 EHADRM CCc1ccc(CC)c(NC(=O)N2CCC([C@H](C)NC(=O)[O-])CC2)c1 ZINC000827584442 603814233 /nfs/dbraw/zinc/81/42/33/603814233.db2.gz SGCXZZDAIJKLQC-ZDUSSCGKSA-N -1 0 347.459 3.711 20 0 EHADRM Cc1cccc(NC(=S)N(C)C2CCC(NC(=O)[O-])CC2)c1C ZINC000830521408 603829346 /nfs/dbraw/zinc/82/93/46/603829346.db2.gz HBRWPXNUIMRYGV-UHFFFAOYSA-N -1 0 335.473 3.511 20 0 EHADRM CCOc1ccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c(C)c1 ZINC000827439189 603852527 /nfs/dbraw/zinc/85/25/27/603852527.db2.gz HOKQUBPUZNAXPL-GOOCMWNKSA-N -1 0 346.427 3.643 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)C1CCC(NC(=O)[O-])CC1 ZINC000830262397 603882728 /nfs/dbraw/zinc/88/27/28/603882728.db2.gz PQDYCFRWDMJWCT-UHFFFAOYSA-N -1 0 344.333 3.779 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@@H]1C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000832342468 603887278 /nfs/dbraw/zinc/88/72/78/603887278.db2.gz WRAWCJHJZGPNQG-STQMWFEESA-N -1 0 344.333 3.556 20 0 EHADRM Cc1ccc(C(=O)Nc2cc(-c3ccccc3)on2)cc1NC(=O)[O-] ZINC000830230296 603921268 /nfs/dbraw/zinc/92/12/68/603921268.db2.gz CLWKWICLQQKYDT-UHFFFAOYSA-N -1 0 337.335 3.992 20 0 EHADRM CN(Cc1cc2ccccc2o1)C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000828350751 603932250 /nfs/dbraw/zinc/93/22/50/603932250.db2.gz OUTYCUMEQFXLPW-UHFFFAOYSA-N -1 0 342.326 3.934 20 0 EHADRM Cc1ccc(NC(=O)C[C@H](Cc2ccccc2)NC(=O)[O-])c(Cl)c1 ZINC000830364875 603936112 /nfs/dbraw/zinc/93/61/12/603936112.db2.gz VCNQQINUMUCSBA-AWEZNQCLSA-N -1 0 346.814 3.856 20 0 EHADRM O=C([O-])N[C@H]1CC[C@@H](C(=O)Nc2ccccc2-c2cccs2)C1 ZINC000832297215 603945954 /nfs/dbraw/zinc/94/59/54/603945954.db2.gz NVWHBFYBJAZVTE-NEPJUHHUSA-N -1 0 330.409 3.790 20 0 EHADRM Cc1nc2ccccc2cc1C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000830793653 603946267 /nfs/dbraw/zinc/94/62/67/603946267.db2.gz ULQIDNMKADXVIP-UHFFFAOYSA-N -1 0 347.374 3.836 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)c1cccc(F)c1Cl ZINC000831797301 603951295 /nfs/dbraw/zinc/95/12/95/603951295.db2.gz FZXNYSOYPMKQMM-UHFFFAOYSA-N -1 0 334.734 3.772 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)c1cc2occc2s1 ZINC000831793334 603955949 /nfs/dbraw/zinc/95/59/49/603955949.db2.gz JIZKILNIJRFQOD-UHFFFAOYSA-N -1 0 328.349 3.787 20 0 EHADRM C[C@@H]1CCN(C(=O)CC2CCN(C(=O)[O-])CC2)[C@H]1c1cccc(F)c1 ZINC000825937829 603960888 /nfs/dbraw/zinc/96/08/88/603960888.db2.gz KTDHSIHIDDAGFS-FZKQIMNGSA-N -1 0 348.418 3.515 20 0 EHADRM O=C([O-])N[C@H]1CC[C@H](C(=O)Nc2ccccc2SC(F)(F)F)C1 ZINC000832296631 603964703 /nfs/dbraw/zinc/96/47/03/603964703.db2.gz LNLJWGNSMQRSQF-IUCAKERBSA-N -1 0 348.346 3.673 20 0 EHADRM O=C([O-])N[C@H](CC(=O)Nc1cccc(C(F)F)c1)Cc1ccccc1 ZINC000832114073 603966559 /nfs/dbraw/zinc/96/65/59/603966559.db2.gz RNIGCEUGIPFZLJ-HNNXBMFYSA-N -1 0 348.349 3.832 20 0 EHADRM Cc1cccc(NC(=O)Nc2cccc3c2CCN3C(=O)[O-])c1C ZINC000830523182 603968013 /nfs/dbraw/zinc/96/80/13/603968013.db2.gz ZPQGCRKRLKQHES-UHFFFAOYSA-N -1 0 325.368 3.988 20 0 EHADRM CCC[C@@H]1CCCN(C(=O)Nc2ccc(OC)c(NC(=O)[O-])c2)C1 ZINC000826775876 603981372 /nfs/dbraw/zinc/98/13/72/603981372.db2.gz VMYWWSKKYORKIJ-GFCCVEGCSA-N -1 0 335.404 3.829 20 0 EHADRM CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2ccc(NC(=O)[O-])cc2)C1 ZINC000827495343 603989372 /nfs/dbraw/zinc/98/93/72/603989372.db2.gz IVFDBVSCHGAMPH-KGLIPLIRSA-N -1 0 337.445 3.914 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2cccc3c2CCN3C(=O)[O-])s1 ZINC000830257109 603992296 /nfs/dbraw/zinc/99/22/96/603992296.db2.gz RJGUEWVZGYJWAK-LLVKDONJSA-N -1 0 345.424 3.980 20 0 EHADRM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)o1 ZINC000827584919 603995108 /nfs/dbraw/zinc/99/51/08/603995108.db2.gz WESTVDWGQRINTC-KQTLUZQSSA-N -1 0 348.443 3.578 20 0 EHADRM CO[C@@H](C)c1nc(CNc2cccc3c2CCN3C(=O)[O-])cs1 ZINC000828836510 604009305 /nfs/dbraw/zinc/00/93/05/604009305.db2.gz PPFUYWVDVVMCEL-JTQLQIEISA-N -1 0 333.413 3.503 20 0 EHADRM CCCN(C(=O)CC[C@H](NC(=O)[O-])c1ccccc1)c1cccnc1 ZINC000826856122 604034493 /nfs/dbraw/zinc/03/44/93/604034493.db2.gz CCEZCDHPZSWLDY-KRWDZBQOSA-N -1 0 341.411 3.614 20 0 EHADRM Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000830445111 604035365 /nfs/dbraw/zinc/03/53/65/604035365.db2.gz FDDKNSPTVAMAHH-LLVKDONJSA-N -1 0 344.342 3.652 20 0 EHADRM Cc1ccc(C(=O)N(CC(F)(F)F)C2CCC2)cc1NC(=O)[O-] ZINC000830182367 604056466 /nfs/dbraw/zinc/05/64/66/604056466.db2.gz ZONPBMFFNNGMIZ-UHFFFAOYSA-N -1 0 330.306 3.642 20 0 EHADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)Nc2ccc3ccccc3c2)C1 ZINC000825235755 604060880 /nfs/dbraw/zinc/06/08/80/604060880.db2.gz HSCRSOHRZDZKGS-CZUORRHYSA-N -1 0 341.411 3.740 20 0 EHADRM C[C@H](c1ccccc1)N(C)C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736724060 604191910 /nfs/dbraw/zinc/19/19/10/604191910.db2.gz KAONOXPBQUSOBE-CQSZACIVSA-N -1 0 341.411 3.722 20 0 EHADRM CC(C)c1ccc(CCC(=O)N2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)cc1 ZINC000824463945 604197313 /nfs/dbraw/zinc/19/73/13/604197313.db2.gz NTFSABKWDRXTHD-MAUKXSAKSA-N -1 0 346.471 3.637 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N(CC(F)(F)F)C2CCCC2)ccc1F ZINC000832817343 604202580 /nfs/dbraw/zinc/20/25/80/604202580.db2.gz GYDQYHQLLAFECY-UHFFFAOYSA-N -1 0 348.296 3.863 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N(CC(F)(F)F)C2CCCC2)cc1 ZINC000832828290 604202954 /nfs/dbraw/zinc/20/29/54/604202954.db2.gz DECURQOAVNINMX-UHFFFAOYSA-N -1 0 330.306 3.724 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N1CC[C@H](C(C)C)C1 ZINC000829175094 604237878 /nfs/dbraw/zinc/23/78/78/604237878.db2.gz XWLFRBSTCSOECO-JTQLQIEISA-N -1 0 340.807 3.557 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)OC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000824817276 604239328 /nfs/dbraw/zinc/23/93/28/604239328.db2.gz PHGDLKKFSWISIZ-AJSFGMTHSA-N -1 0 349.402 3.611 20 0 EHADRM C[C@H](OC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)c1ccccc1C(F)(F)F ZINC000825550802 604239391 /nfs/dbraw/zinc/23/93/91/604239391.db2.gz DBNIKPJLMCHSTI-HBNTYKKESA-N -1 0 345.317 3.746 20 0 EHADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000825235023 604251422 /nfs/dbraw/zinc/25/14/22/604251422.db2.gz BDTFGWRQNQLMJS-NXEZZACHSA-N -1 0 345.226 3.502 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1c(C)[nH]c(C(=O)[O-])c1C ZINC000832905557 604285523 /nfs/dbraw/zinc/28/55/23/604285523.db2.gz HEVWTQRTDHSVBT-ZDUSSCGKSA-N -1 0 344.411 3.675 20 0 EHADRM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC000828184645 604292858 /nfs/dbraw/zinc/29/28/58/604292858.db2.gz RNRXPGRTVDOBBZ-GTNSWQLSSA-N -1 0 345.345 3.886 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc2[nH]ccc2c1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824696864 604298179 /nfs/dbraw/zinc/29/81/79/604298179.db2.gz WYCHRGFUNGKUGN-GXTWGEPZSA-N -1 0 329.400 3.523 20 0 EHADRM CC1(C)C[C@H](NC(=O)c2ccc(C(=O)[O-])cc2)c2ccc(F)cc2O1 ZINC000345791486 604301538 /nfs/dbraw/zinc/30/15/38/604301538.db2.gz GKNSTBAUAQIGRS-HNNXBMFYSA-N -1 0 343.354 3.556 20 0 EHADRM CN(Cc1ccccc1NC(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000828400051 604320695 /nfs/dbraw/zinc/32/06/95/604320695.db2.gz OSKGELGNGPLEGM-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000829718658 604321024 /nfs/dbraw/zinc/32/10/24/604321024.db2.gz MRYSLNJQWHFURO-UHFFFAOYSA-N -1 0 339.804 3.549 20 0 EHADRM CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000829056575 604323120 /nfs/dbraw/zinc/32/31/20/604323120.db2.gz YEYRPVVYSFRCAS-HUUCEWRRSA-N -1 0 349.431 3.834 20 0 EHADRM CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000829055301 604325388 /nfs/dbraw/zinc/32/53/88/604325388.db2.gz FWPVPXXOBURMRB-LSDHHAIUSA-N -1 0 349.431 3.834 20 0 EHADRM Cc1cccc(C)c1CCNC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000832965270 604325804 /nfs/dbraw/zinc/32/58/04/604325804.db2.gz ZSMAGXPZTNHVDX-UHFFFAOYSA-N -1 0 327.384 3.758 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)Nc1cccc(F)c1F)c1ccccc1 ZINC000826102838 604328479 /nfs/dbraw/zinc/32/84/79/604328479.db2.gz JOUIWSQIHDSLHS-HNNXBMFYSA-N -1 0 348.349 3.938 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1cccc(C(F)(F)F)c1C ZINC000832847008 604340776 /nfs/dbraw/zinc/34/07/76/604340776.db2.gz CYTBLODTHXROCG-UHFFFAOYSA-N -1 0 340.301 3.909 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)[C@H]1CCc2ccccc21)c1ccccc1 ZINC000826090620 604378053 /nfs/dbraw/zinc/37/80/53/604378053.db2.gz VCRWYMUXRQGCHL-ZWKOTPCHSA-N -1 0 337.419 3.685 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCc3cccc(Cl)c32)cc1F ZINC000833309459 604389172 /nfs/dbraw/zinc/38/91/72/604389172.db2.gz HMWNNWFXYCPJOE-UHFFFAOYSA-N -1 0 333.746 3.770 20 0 EHADRM CC(C)[C@H](C)N(CC(F)(F)F)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000826680618 604389428 /nfs/dbraw/zinc/38/94/28/604389428.db2.gz IKSZOBCWNVIUFI-VIFPVBQESA-N -1 0 335.297 3.573 20 0 EHADRM COc1cccc2c1CC[C@@H]2NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000829581544 604392977 /nfs/dbraw/zinc/39/29/77/604392977.db2.gz TTXXMAIBXMJQFD-HNNXBMFYSA-N -1 0 341.367 3.594 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OC(=O)c1ccnn1C1CCCC1 ZINC000833298870 604408249 /nfs/dbraw/zinc/40/82/49/604408249.db2.gz GBIROSMDPCAKLW-UHFFFAOYSA-N -1 0 334.759 3.569 20 0 EHADRM O=C([O-])c1ccc(C(=O)O[C@@H](Cc2ccccc2)c2cccnc2)cc1 ZINC000833311809 604414364 /nfs/dbraw/zinc/41/43/64/604414364.db2.gz CTEYQPHEQGHGGS-IBGZPJMESA-N -1 0 347.370 3.921 20 0 EHADRM Cc1cc(OC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)ccc1Br ZINC000832900110 604416160 /nfs/dbraw/zinc/41/61/60/604416160.db2.gz YPKSCHJOQCDHCX-GHMZBOCLSA-N -1 0 341.201 3.554 20 0 EHADRM CCC(CC)n1nccc1C(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000828874425 604443819 /nfs/dbraw/zinc/44/38/19/604443819.db2.gz GWOBLYVERHOXFE-LLVKDONJSA-N -1 0 334.372 3.762 20 0 EHADRM CCCOc1cccc(CC(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000829542000 604445982 /nfs/dbraw/zinc/44/59/82/604445982.db2.gz ZQLGEFAEBGJYNN-GOSISDBHSA-N -1 0 346.354 3.526 20 0 EHADRM C[C@@H](Cc1ccccc1)C(=O)NCc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000825022290 604446357 /nfs/dbraw/zinc/44/63/57/604446357.db2.gz DGBBSLPNBZDGDO-GJZGRUSLSA-N -1 0 340.423 3.510 20 0 EHADRM O=C([O-])[C@@H]1Cc2ccccc2CN1Cc1cc2cc(F)ccc2o1 ZINC000833193976 604467953 /nfs/dbraw/zinc/46/79/53/604467953.db2.gz VEEPYQUVARSIRV-KRWDZBQOSA-N -1 0 325.339 3.583 20 0 EHADRM CC(C)(C)O[C@H](C(=O)Oc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000833445533 604469301 /nfs/dbraw/zinc/46/93/01/604469301.db2.gz AVFVECASHPXGEL-INIZCTEOSA-N -1 0 328.364 3.847 20 0 EHADRM CC(C)(C)O[C@H](C(=O)OCc1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000833445993 604469417 /nfs/dbraw/zinc/46/94/17/604469417.db2.gz LOOWKWHVMZHILI-HNNXBMFYSA-N -1 0 332.352 3.577 20 0 EHADRM CC(C)(C)O[C@@H](C(=O)OCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000833446173 604470778 /nfs/dbraw/zinc/47/07/78/604470778.db2.gz QEAAKHBFOAFHFB-QGZVFWFLSA-N -1 0 342.391 3.984 20 0 EHADRM O=C([O-])C[C@H]1CCCN1c1nc(-c2cccs2)nc2ccccc21 ZINC000567985469 604471305 /nfs/dbraw/zinc/47/13/05/604471305.db2.gz YXLFOCMVKLJINM-GFCCVEGCSA-N -1 0 339.420 3.802 20 0 EHADRM C[C@@H](COc1ccccc1)C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000825008795 604476818 /nfs/dbraw/zinc/47/68/18/604476818.db2.gz NNGKAMSAVUUITE-KBPBESRZSA-N -1 0 342.395 3.669 20 0 EHADRM O=C([O-])c1csc(NC(=O)N2CCC(c3ccccc3F)CC2)c1 ZINC000833342179 604486670 /nfs/dbraw/zinc/48/66/70/604486670.db2.gz HNNQPTBPNZJOIN-UHFFFAOYSA-N -1 0 348.399 3.997 20 0 EHADRM CC(C)c1cccc(COC(=O)Cc2ccc(NC(=O)[O-])cc2)n1 ZINC000824470815 604487324 /nfs/dbraw/zinc/48/73/24/604487324.db2.gz UVWHGMHNJIINKB-UHFFFAOYSA-N -1 0 328.368 3.581 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)c1cc(F)cc2cccnc21 ZINC000262953032 604489400 /nfs/dbraw/zinc/48/94/00/604489400.db2.gz MZDYPSRGTMPHDA-GOEBONIOSA-N -1 0 344.386 3.527 20 0 EHADRM CC(C)(C)O[C@@H](C(=O)Oc1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC000833446244 604495391 /nfs/dbraw/zinc/49/53/91/604495391.db2.gz RSDUKTCGTYMXBE-GOSISDBHSA-N -1 0 342.391 3.776 20 0 EHADRM CC(C)OCc1ccc(C(=O)OC2CCC(CC(=O)[O-])CC2)cc1 ZINC000833505747 604497998 /nfs/dbraw/zinc/49/79/98/604497998.db2.gz RPBFHRYRDZWJTM-UHFFFAOYSA-N -1 0 334.412 3.802 20 0 EHADRM C[C@@H](NC(=O)Nc1cc(C(=O)[O-])cs1)c1cc(F)ccc1F ZINC000827664308 604499175 /nfs/dbraw/zinc/49/91/75/604499175.db2.gz FPLNQOIXADPXBX-SSDOTTSWSA-N -1 0 326.324 3.607 20 0 EHADRM COc1ccc(CC[C@@H](C)NC(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000832292899 604500024 /nfs/dbraw/zinc/50/00/24/604500024.db2.gz USZOJSGAPDHMJH-LLVKDONJSA-N -1 0 348.424 3.598 20 0 EHADRM CCSc1ccc([C@@H](C)NC(=O)N2CCC[C@H]2CC(=O)[O-])cc1 ZINC000830169730 604508472 /nfs/dbraw/zinc/50/84/72/604508472.db2.gz WRSIKYPFMVKPTF-OCCSQVGLSA-N -1 0 336.457 3.508 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000828151665 604508749 /nfs/dbraw/zinc/50/87/49/604508749.db2.gz XXGIEQPTGSOCLR-FZMZJTMJSA-N -1 0 330.409 3.856 20 0 EHADRM CC[C@@H](NC(=O)Nc1cc(C(=O)[O-])cs1)c1ccccc1OC ZINC000828951282 604515749 /nfs/dbraw/zinc/51/57/49/604515749.db2.gz IUQDJJNKXSTMCV-GFCCVEGCSA-N -1 0 334.397 3.728 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2cccnc2-c2ccccc2)CCCC1 ZINC000833766615 604519859 /nfs/dbraw/zinc/51/98/59/604519859.db2.gz HJBKUQKUDSKYON-UHFFFAOYSA-N -1 0 339.395 3.515 20 0 EHADRM Cc1ccc(C(=O)NCc2nc(C(C)C)cs2)cc1NC(=O)[O-] ZINC000830219374 604523279 /nfs/dbraw/zinc/52/32/79/604523279.db2.gz CVLLUFDUEIMMLS-UHFFFAOYSA-N -1 0 333.413 3.595 20 0 EHADRM CCC1CCN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])CC1 ZINC000829124797 604525433 /nfs/dbraw/zinc/52/54/33/604525433.db2.gz AJVALVUYEVLRFG-INIZCTEOSA-N -1 0 332.444 3.670 20 0 EHADRM CN(CC1CCCC1)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000830714320 604529810 /nfs/dbraw/zinc/52/98/10/604529810.db2.gz PKKVFOUVLJDIHP-MRXNPFEDSA-N -1 0 332.444 3.670 20 0 EHADRM CCCCn1ncc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1C ZINC000829446608 604538418 /nfs/dbraw/zinc/53/84/18/604538418.db2.gz DAOAXBPJTYDVGT-UHFFFAOYSA-N -1 0 335.791 3.596 20 0 EHADRM C/C(=C/c1ccccc1Cl)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000761679223 604542741 /nfs/dbraw/zinc/54/27/41/604542741.db2.gz MNJXANJNXRKKPR-XFXZXTDPSA-N -1 0 345.782 3.845 20 0 EHADRM CC(C)[C@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000833466606 604543610 /nfs/dbraw/zinc/54/36/10/604543610.db2.gz JBJFPSZPHZHQEH-SFHVURJKSA-N -1 0 343.398 3.922 20 0 EHADRM CCCCn1ncc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1C ZINC000829447817 604544537 /nfs/dbraw/zinc/54/45/37/604544537.db2.gz USYFWFNMKNMEHF-UHFFFAOYSA-N -1 0 335.791 3.596 20 0 EHADRM O=C([O-])Nc1cc2ccccc2cc1C(=O)N[C@@H]1CCC(F)(F)C1 ZINC000832829287 604548202 /nfs/dbraw/zinc/54/82/02/604548202.db2.gz RIDUROMMLXYOPV-GFCCVEGCSA-N -1 0 334.322 3.847 20 0 EHADRM CC(C)[C@@H](C(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000833466447 604557627 /nfs/dbraw/zinc/55/76/27/604557627.db2.gz ZOYXVVCXEHGIQI-QGZVFWFLSA-N -1 0 344.386 3.972 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2cnc(Cl)c(Cl)c2)oc1C(=O)[O-] ZINC000832874163 604558766 /nfs/dbraw/zinc/55/87/66/604558766.db2.gz NFNWYBQGUFFFQG-SSDOTTSWSA-N -1 0 344.150 3.906 20 0 EHADRM CC(=O)CCC(C)(C)C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833387361 604571258 /nfs/dbraw/zinc/57/12/58/604571258.db2.gz AHOPNUBLIJRXRF-UHFFFAOYSA-N -1 0 337.441 3.587 20 0 EHADRM CCSc1cc(C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)ccn1 ZINC000830168596 604571457 /nfs/dbraw/zinc/57/14/57/604571457.db2.gz FDEBWKHGIBMFOB-JTQLQIEISA-N -1 0 335.381 3.711 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000262942435 604571642 /nfs/dbraw/zinc/57/16/42/604571642.db2.gz MFVFBWFLRSTION-UHTWSYAYSA-N -1 0 342.222 3.563 20 0 EHADRM C[C@H](Oc1ccccc1)C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833541363 604574402 /nfs/dbraw/zinc/57/44/02/604574402.db2.gz UFTYFHGAFAQDPC-ZDUSSCGKSA-N -1 0 345.420 3.659 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000832589758 604576886 /nfs/dbraw/zinc/57/68/86/604576886.db2.gz SDBYMMJDUPJHPY-GFCCVEGCSA-N -1 0 346.379 3.877 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000263070534 604584345 /nfs/dbraw/zinc/58/43/45/604584345.db2.gz YCZTUTCVPACXAZ-TUAOUCFPSA-N -1 0 342.222 3.563 20 0 EHADRM CC1=C(C(=O)O[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CCCO1 ZINC000833579637 604596094 /nfs/dbraw/zinc/59/60/94/604596094.db2.gz PIIHVURESZDEHF-ZDUSSCGKSA-N -1 0 345.178 3.747 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)/C=C\SCc1ccco1 ZINC000830384392 604599332 /nfs/dbraw/zinc/59/93/32/604599332.db2.gz QBEICKLNUSVABK-ALCCZGGFSA-N -1 0 336.365 3.624 20 0 EHADRM C[C@@H]1C[C@@H](C)CN(C(=O)Nc2cccc(SCCC(=O)[O-])c2)C1 ZINC000833590302 604602334 /nfs/dbraw/zinc/60/23/34/604602334.db2.gz GJNYLGMMHWCGFD-CHWSQXEVSA-N -1 0 336.457 3.763 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)N3CCC[C@@H]3CC(=O)[O-])cc2)cs1 ZINC000832991779 604616633 /nfs/dbraw/zinc/61/66/33/604616633.db2.gz XTTINQJOPDVVHH-CQSZACIVSA-N -1 0 345.424 3.590 20 0 EHADRM C[C@H](C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-])C1CCOCC1 ZINC000833410240 604621066 /nfs/dbraw/zinc/62/10/66/604621066.db2.gz BGEWQOVVYAAPIQ-JTQLQIEISA-N -1 0 339.457 3.745 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)N2CCC[C@H]2CC(=O)[O-])c1 ZINC000826861396 604622898 /nfs/dbraw/zinc/62/28/98/604622898.db2.gz SEDXNEIGOJJADM-HNNXBMFYSA-N -1 0 334.416 3.583 20 0 EHADRM CC(C)Cn1ncc(C(=O)Nc2cc(C(=O)[O-])ccc2F)c1C1CC1 ZINC000191061674 604624879 /nfs/dbraw/zinc/62/48/79/604624879.db2.gz QSUQTCXBOPEOIG-UHFFFAOYSA-N -1 0 345.374 3.506 20 0 EHADRM CCC(CC)n1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)n1 ZINC000828869981 604628460 /nfs/dbraw/zinc/62/84/60/604628460.db2.gz IJFVPDDAKBWDRX-UHFFFAOYSA-N -1 0 347.440 3.745 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000833213549 604633856 /nfs/dbraw/zinc/63/38/56/604633856.db2.gz KHUAVBUYBPRSOJ-KRWDZBQOSA-N -1 0 345.443 3.538 20 0 EHADRM C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)N(C)CC(=O)[O-] ZINC000833551737 604644507 /nfs/dbraw/zinc/64/45/07/604644507.db2.gz VIUUXXFGGXBBPQ-MRVPVSSYSA-N -1 0 329.183 3.726 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)c2cccc(-c3c(F)cccc3F)c2)C1 ZINC000833553947 604644647 /nfs/dbraw/zinc/64/46/47/604644647.db2.gz IXMNAZOXEKCDLD-IBGZPJMESA-N -1 0 345.345 3.569 20 0 EHADRM C[C@@H](CC(=O)N1Cc2ccccc2[C@@H](C)C1)C1CCN(C(=O)[O-])CC1 ZINC000825975446 604652424 /nfs/dbraw/zinc/65/24/24/604652424.db2.gz OVWNGTTVTWHOIT-GJZGRUSLSA-N -1 0 344.455 3.549 20 0 EHADRM CCC(CC)n1ccc(C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)n1 ZINC000828870261 604653139 /nfs/dbraw/zinc/65/31/39/604653139.db2.gz LPQMTWRYZAWNCZ-UHFFFAOYSA-N -1 0 330.388 3.611 20 0 EHADRM CCc1ccccc1C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000434783424 604659717 /nfs/dbraw/zinc/65/97/17/604659717.db2.gz AKSIFJCLIRLEOM-UHFFFAOYSA-N -1 0 347.361 3.644 20 0 EHADRM CCS[C@H](C)c1noc(CNc2cc(NC(=O)[O-])ccc2F)n1 ZINC000827497132 604659745 /nfs/dbraw/zinc/65/97/45/604659745.db2.gz VUAXJTBFXIZKFS-MRVPVSSYSA-N -1 0 340.380 3.725 20 0 EHADRM C[C@@H](CC(=O)N1CCC[C@H]1c1ccccc1)C1CCN(C(=O)[O-])CC1 ZINC000824579655 604667321 /nfs/dbraw/zinc/66/73/21/604667321.db2.gz DQONTSKRDZUJLV-YJBOKZPZSA-N -1 0 344.455 3.766 20 0 EHADRM COc1ccc2oc(CN3CCc4ccccc4[C@@H]3C(=O)[O-])cc2c1 ZINC000833734855 604675862 /nfs/dbraw/zinc/67/58/62/604675862.db2.gz HDWAVOIFFLYYPI-LJQANCHMSA-N -1 0 337.375 3.625 20 0 EHADRM COc1ccc(CCCCCC(=O)N(C)C2(C(=O)[O-])CCCC2)cc1 ZINC000832299729 604711754 /nfs/dbraw/zinc/71/17/54/604711754.db2.gz LVEJZSPRQJWUOG-UHFFFAOYSA-N -1 0 347.455 3.654 20 0 EHADRM CC(C)COc1cccc(NC(=O)Cc2cccc(C(=O)[O-])c2)c1 ZINC000630288003 604714457 /nfs/dbraw/zinc/71/44/57/604714457.db2.gz GTHCCUXQRPMKCL-UHFFFAOYSA-N -1 0 327.380 3.601 20 0 EHADRM Cc1cc([C@H](C)Sc2nnc(OC(C)C)s2)oc1C(=O)[O-] ZINC000832875459 604714629 /nfs/dbraw/zinc/71/46/29/604714629.db2.gz SCBZBQYREHSZBN-QMMMGPOBSA-N -1 0 328.415 3.778 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N[C@@H]1CCc2c1cccc2Cl ZINC000262255632 604720617 /nfs/dbraw/zinc/72/06/17/604720617.db2.gz WBDIDWGWIFJUKV-QGZVFWFLSA-N -1 0 343.810 3.775 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)OCc2cc(-c3ccccc3)n[nH]2)c1 ZINC000833291789 604731438 /nfs/dbraw/zinc/73/14/38/604731438.db2.gz SUSCDPRUPFYBJN-UHFFFAOYSA-N -1 0 337.335 3.524 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)NCCCc1cccs1)C(=O)[O-] ZINC000668298798 604742283 /nfs/dbraw/zinc/74/22/83/604742283.db2.gz KRJJUYUIIAWEMP-GFCCVEGCSA-N -1 0 349.477 3.676 20 0 EHADRM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000357444874 604744148 /nfs/dbraw/zinc/74/41/48/604744148.db2.gz YRFJRXWQCDYLTF-RYUDHWBXSA-N -1 0 327.355 3.672 20 0 EHADRM C[C@@H](CC(=O)[O-])SCCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000827386722 604744313 /nfs/dbraw/zinc/74/43/13/604744313.db2.gz WWEYOUVJBFBYFP-VIFPVBQESA-N -1 0 335.347 3.630 20 0 EHADRM Cc1ccc(C[C@@H](C)N(C)C(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC000262085245 604753240 /nfs/dbraw/zinc/75/32/40/604753240.db2.gz FTMPZZSQIRDROL-MRXNPFEDSA-N -1 0 339.435 3.715 20 0 EHADRM Cc1ccc(-c2nnc(S[C@H](C)C(=O)[O-])n2-c2ccccc2)cc1 ZINC000832908501 604753763 /nfs/dbraw/zinc/75/37/63/604753763.db2.gz ZXJHRMHATLEUHT-CYBMUJFWSA-N -1 0 339.420 3.808 20 0 EHADRM O=C([O-])c1ccc(-c2nc(Cc3cccc(Cl)c3)no2)cc1F ZINC000833307118 604763528 /nfs/dbraw/zinc/76/35/28/604763528.db2.gz BAWUZCOTTQSOAY-UHFFFAOYSA-N -1 0 332.718 3.818 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC000833422375 604772972 /nfs/dbraw/zinc/77/29/72/604772972.db2.gz ZXNOZDUJEVYFFB-UHFFFAOYSA-N -1 0 339.391 3.795 20 0 EHADRM C[C@@H](Oc1ccc(CNc2ccccc2OC(F)F)cc1)C(=O)[O-] ZINC000833539059 604777652 /nfs/dbraw/zinc/77/76/52/604777652.db2.gz JUPQHMGJZGTWIT-LLVKDONJSA-N -1 0 337.322 3.752 20 0 EHADRM CC(C)Oc1cccc(OC(=O)CCc2ccccc2C(=O)[O-])c1 ZINC000833507625 604779093 /nfs/dbraw/zinc/77/90/93/604779093.db2.gz YAYCTHUBBNJDKJ-UHFFFAOYSA-N -1 0 328.364 3.710 20 0 EHADRM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Cc1ccccc1C(=O)[O-] ZINC000261550854 604785110 /nfs/dbraw/zinc/78/51/10/604785110.db2.gz RHVDCPKBANCKRY-OAHLLOKOSA-N -1 0 337.419 3.755 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)Cc1ccccc1C(=O)[O-] ZINC000630295364 604790035 /nfs/dbraw/zinc/79/00/35/604790035.db2.gz RHRAIVWBMPSLKM-CLCXKQKWSA-N -1 0 337.419 3.720 20 0 EHADRM C[C@@H]1CC[C@H](CC(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)C1 ZINC000828221204 604790140 /nfs/dbraw/zinc/79/01/40/604790140.db2.gz JQHHEHWUORWQIV-CABCVRRESA-N -1 0 344.455 3.614 20 0 EHADRM CC[C@@H](C)Oc1ccc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000828764684 604814643 /nfs/dbraw/zinc/81/46/43/604814643.db2.gz LJZBZLRAHZFGMR-LLVKDONJSA-N -1 0 331.343 3.954 20 0 EHADRM Cc1cccc(C2=CCN(C(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)CC2)c1 ZINC000191676552 604815878 /nfs/dbraw/zinc/81/58/78/604815878.db2.gz JPPLPWZOMIFDNO-ZWKOTPCHSA-N -1 0 327.424 3.502 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)C[C@H](C)C2CCN(C(=O)[O-])CC2)c1 ZINC000828830873 604816304 /nfs/dbraw/zinc/81/63/04/604816304.db2.gz NFBQXFUNQKMPQJ-KBPBESRZSA-N -1 0 348.443 3.749 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N[C@H]1CC12CCCCC2)C(=O)[O-] ZINC000192972651 604818281 /nfs/dbraw/zinc/81/82/81/604818281.db2.gz TUUGKLLJOAYABE-DOMZBBRYSA-N -1 0 333.453 3.704 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)c1cc(F)ccc1F ZINC000828971599 604823878 /nfs/dbraw/zinc/82/38/78/604823878.db2.gz QFYILMZVNLGBFR-OAHLLOKOSA-N -1 0 337.297 3.683 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)c2ccc(Cl)cc2C)c1 ZINC000829469397 604824435 /nfs/dbraw/zinc/82/44/35/604824435.db2.gz OMOHEWOLCSCFKN-UHFFFAOYSA-N -1 0 334.759 3.999 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828149441 604827832 /nfs/dbraw/zinc/82/78/32/604827832.db2.gz IYFVCNRGRYNRQZ-WFASDCNBSA-N -1 0 327.355 3.542 20 0 EHADRM CC(C)C(=O)Nc1ccc(Oc2nc(Cl)c(C(=O)[O-])s2)cc1 ZINC000833467229 604832043 /nfs/dbraw/zinc/83/20/43/604832043.db2.gz UDZHUKXBAVULNV-UHFFFAOYSA-N -1 0 340.788 3.882 20 0 EHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000761392789 604835348 /nfs/dbraw/zinc/83/53/48/604835348.db2.gz PQQBHSHNRUUHML-MLFXKNMZSA-N -1 0 343.810 3.555 20 0 EHADRM COc1ccc(CNC(=O)c2ccccc2C(C)(C)C)cc1C(=O)[O-] ZINC000237312755 604836065 /nfs/dbraw/zinc/83/60/65/604836065.db2.gz RJRQBNGZHLYVPQ-UHFFFAOYSA-N -1 0 341.407 3.621 20 0 EHADRM C[C@H](CC(=O)N1CCc2ccccc2[C@@H]1C)C1CCN(C(=O)[O-])CC1 ZINC000824606359 604843936 /nfs/dbraw/zinc/84/39/36/604843936.db2.gz PREKVAKATNSVOK-CABCVRRESA-N -1 0 344.455 3.549 20 0 EHADRM CCCCn1ncc(NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1C ZINC000829448091 604848631 /nfs/dbraw/zinc/84/86/31/604848631.db2.gz XHKXXLFPTGCKEW-UHFFFAOYSA-N -1 0 349.366 3.865 20 0 EHADRM CC(C)c1ccc(C(=O)COC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000827112724 604853703 /nfs/dbraw/zinc/85/37/03/604853703.db2.gz NBASSTPAXFRCHA-UHFFFAOYSA-N -1 0 344.338 3.687 20 0 EHADRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ncc(C(C)(C)C)o1 ZINC000827854275 604855749 /nfs/dbraw/zinc/85/57/49/604855749.db2.gz UOJDMKSGCCSTJL-SECBINFHSA-N -1 0 335.331 3.727 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)OCc1ccc(Oc2ccccc2)c(F)c1 ZINC000827350039 604865944 /nfs/dbraw/zinc/86/59/44/604865944.db2.gz VMYVXCMUGOTVBR-GFCCVEGCSA-N -1 0 332.327 3.772 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCSc1ccccc1)c1ccccc1 ZINC000013224258 604866866 /nfs/dbraw/zinc/86/68/66/604866866.db2.gz UFWVCDQPUDRZDP-MRXNPFEDSA-N -1 0 329.421 3.501 20 0 EHADRM CN(C(=O)c1cc2cc(Cl)ccc2o1)C1(C(=O)[O-])CCCCC1 ZINC000431988473 604868536 /nfs/dbraw/zinc/86/85/36/604868536.db2.gz UYMFMNMXHAGBQJ-UHFFFAOYSA-N -1 0 335.787 3.946 20 0 EHADRM CCc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)s1 ZINC000181905036 604869344 /nfs/dbraw/zinc/86/93/44/604869344.db2.gz NUSJSKFTJRAAPR-CYBMUJFWSA-N -1 0 341.791 3.659 20 0 EHADRM CC(C)CCSCC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000345827656 604870572 /nfs/dbraw/zinc/87/05/72/604870572.db2.gz TYFXZFMDBLEHKC-CQSZACIVSA-N -1 0 347.839 3.500 20 0 EHADRM C[C@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000540667056 604870605 /nfs/dbraw/zinc/87/06/05/604870605.db2.gz RVSVIISVGMXUDD-PIGZYNQJSA-N -1 0 349.789 3.915 20 0 EHADRM CC(C)C[C@@H](Nc1nc(Cl)c(C(=O)[O-])s1)C(=O)OC(C)(C)C ZINC000833485017 604871292 /nfs/dbraw/zinc/87/12/92/604871292.db2.gz WMPNJWHCKNKWAB-MRVPVSSYSA-N -1 0 348.852 3.663 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(c2nc(-c3ccccc3)ns2)C1 ZINC000649405384 604872664 /nfs/dbraw/zinc/87/26/64/604872664.db2.gz UNZAFJHDJNWTTP-CYBMUJFWSA-N -1 0 331.441 3.532 20 0 EHADRM CC(C)c1csc(NC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)n1 ZINC000321988643 604875886 /nfs/dbraw/zinc/87/58/86/604875886.db2.gz DMHVDFIMCVKUON-LLVKDONJSA-N -1 0 339.461 3.621 20 0 EHADRM C[C@H](OC(=O)c1ccc(C(=O)[O-])c(F)c1)c1cnc2ccccc2c1 ZINC000827851124 604882789 /nfs/dbraw/zinc/88/27/89/604882789.db2.gz AERQTRRHCASBEM-NSHDSACASA-N -1 0 339.322 3.990 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2ccc3c(c2)CCCC3)C1 ZINC000325325722 604891358 /nfs/dbraw/zinc/89/13/58/604891358.db2.gz DPZDOLYZAVBEGQ-KRWDZBQOSA-N -1 0 329.440 3.528 20 0 EHADRM CC(C)[C@H](C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccc(F)cc1 ZINC000833464735 604894023 /nfs/dbraw/zinc/89/40/23/604894023.db2.gz CTPJJQASVOCEBX-RDJZCZTQSA-N -1 0 349.446 3.915 20 0 EHADRM C[C@@H](CC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccc(F)cc1 ZINC000679102060 604896563 /nfs/dbraw/zinc/89/65/63/604896563.db2.gz SUVJPITVBIASBE-DZGCQCFKSA-N -1 0 335.419 3.669 20 0 EHADRM CC[C@H]1CCC[C@H]1NC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000829119855 604908020 /nfs/dbraw/zinc/90/80/20/604908020.db2.gz WDUCYALFIZMVEF-GXFFZTMASA-N -1 0 340.807 3.504 20 0 EHADRM O=C([O-])c1cncc(NC(=O)c2ccccc2Nc2ccccc2)c1 ZINC000833341099 604912076 /nfs/dbraw/zinc/91/20/76/604912076.db2.gz IMMRZMVHHAIZRQ-UHFFFAOYSA-N -1 0 333.347 3.776 20 0 EHADRM Cc1cccc(CCC(=O)N(CCCC(=O)[O-])Cc2ccccc2)c1 ZINC000237624431 604935183 /nfs/dbraw/zinc/93/51/83/604935183.db2.gz DSJKDUOAUYIPCD-UHFFFAOYSA-N -1 0 339.435 3.821 20 0 EHADRM CC1(C(=O)Nc2cc(Br)cc(C(=O)[O-])c2Cl)CC1 ZINC000833553149 604944507 /nfs/dbraw/zinc/94/45/07/604944507.db2.gz OTOVODSSHGAGHK-UHFFFAOYSA-N -1 0 332.581 3.539 20 0 EHADRM CCC[C@@H](C)[C@H]1CCCN1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000829209301 604952659 /nfs/dbraw/zinc/95/26/59/604952659.db2.gz UIBXEBFQRYATII-RHSMWYFYSA-N -1 0 348.443 3.973 20 0 EHADRM C[C@]1(NC(=O)c2cccc(-c3cscn3)c2)CCCC[C@@H]1C(=O)[O-] ZINC000833573502 604958779 /nfs/dbraw/zinc/95/87/79/604958779.db2.gz SEUNZKHTBMOIOU-KDOFPFPSSA-N -1 0 344.436 3.573 20 0 EHADRM Cc1ccc(NC(=O)N2CCc3ccc(F)c(F)c3C2)cc1C(=O)[O-] ZINC000832947498 604961867 /nfs/dbraw/zinc/96/18/67/604961867.db2.gz YHARNWLZULPHOF-UHFFFAOYSA-N -1 0 346.333 3.562 20 0 EHADRM Cc1cc(C)c(NC(=S)N2CCC[C@@H]2CC(=O)[O-])c(Cl)c1 ZINC000832874049 604974049 /nfs/dbraw/zinc/97/40/49/604974049.db2.gz FGFIRBPIHIZCMQ-LLVKDONJSA-N -1 0 326.849 3.593 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000833211252 604974146 /nfs/dbraw/zinc/97/41/46/604974146.db2.gz WWOKMKIZJCYDPL-NSHDSACASA-N -1 0 333.240 3.629 20 0 EHADRM CCCC1CCC(NC(=O)Nc2nc(CCC(=O)[O-])cs2)CC1 ZINC000829257314 604975623 /nfs/dbraw/zinc/97/56/23/604975623.db2.gz XYTVVPRPYXKULL-UHFFFAOYSA-N -1 0 339.461 3.641 20 0 EHADRM CCC[C@@H]1[C@H](C)CCCN1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000829245233 604977949 /nfs/dbraw/zinc/97/79/49/604977949.db2.gz GYJUPCPMIOLGRY-DGCLKSJQSA-N -1 0 339.461 3.593 20 0 EHADRM CCc1nc(NC(=O)C[C@H](C)c2ccccc2C)sc1C(=O)[O-] ZINC000833676561 604994223 /nfs/dbraw/zinc/99/42/23/604994223.db2.gz RROZLGAHOXYKIA-NSHDSACASA-N -1 0 332.425 3.844 20 0 EHADRM CC(C)(C)OCc1ccccc1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000833445703 605014993 /nfs/dbraw/zinc/01/49/93/605014993.db2.gz MVWYLGMAGMLMTQ-UHFFFAOYSA-N -1 0 341.407 3.630 20 0 EHADRM CCC[C@@H](NC(=O)c1ccc(Oc2ccc(F)cc2F)cc1)C(=O)[O-] ZINC000236896016 605022264 /nfs/dbraw/zinc/02/22/64/605022264.db2.gz INAKKMILKSTHQW-OAHLLOKOSA-N -1 0 349.333 3.740 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000262819093 605045044 /nfs/dbraw/zinc/04/50/44/605045044.db2.gz VRMWWZQRKFRSLO-ONEGZZNKSA-N -1 0 327.380 3.821 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)Cc2csc3ccc(Cl)cc23)o1 ZINC000431540004 605063185 /nfs/dbraw/zinc/06/31/85/605063185.db2.gz VHEYFDUPFDYRBU-UHFFFAOYSA-N -1 0 349.795 3.705 20 0 EHADRM CC(C)[C@H]1C[C@H](CC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CCO1 ZINC000833472652 605064239 /nfs/dbraw/zinc/06/42/39/605064239.db2.gz VDWLFTSOCQSSLP-IAQYHMDHSA-N -1 0 339.819 3.818 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000061826246 605065157 /nfs/dbraw/zinc/06/51/57/605065157.db2.gz ULCRVVQIQKBJCR-UHFFFAOYSA-N -1 0 326.805 3.779 20 0 EHADRM CC(C)OC(=O)CS[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833503202 605072928 /nfs/dbraw/zinc/07/29/28/605072928.db2.gz YTVVPJYGUJVCJR-LBPRGKRZSA-N -1 0 337.224 3.804 20 0 EHADRM CC(C)CN(CCc1ccc(F)cc1)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000630272122 605083505 /nfs/dbraw/zinc/08/35/05/605083505.db2.gz ANIWRZHXMCILLU-UHFFFAOYSA-N -1 0 349.446 3.744 20 0 EHADRM C[C@H]1CC[C@@]2(CCN(C(=O)Nc3cc(C(=O)[O-])c(F)cc3F)C2)C1 ZINC000833609202 605091404 /nfs/dbraw/zinc/09/14/04/605091404.db2.gz GHFXNWHTBZVPAF-DYZYQPBXSA-N -1 0 338.354 3.707 20 0 EHADRM CCOc1ccc([C@@H]2CCCN2C(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000190611851 605098141 /nfs/dbraw/zinc/09/81/41/605098141.db2.gz BUCVXZOTKKWAEY-INIZCTEOSA-N -1 0 333.428 3.640 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2ccc3oc(C4CC4)nc3c2)CC1 ZINC000194393189 605100110 /nfs/dbraw/zinc/10/01/10/605100110.db2.gz DWDMPEWBGDFCBE-UHFFFAOYSA-N -1 0 328.368 3.535 20 0 EHADRM CC1(C)CCc2ccccc2[C@H]1NC(=O)NCCCCCC(=O)[O-] ZINC000414634160 605102784 /nfs/dbraw/zinc/10/27/84/605102784.db2.gz WWWFNLAPNCWEQK-QGZVFWFLSA-N -1 0 332.444 3.644 20 0 EHADRM CC(C)[C@H](C)N(C)C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000050208834 605130251 /nfs/dbraw/zinc/13/02/51/605130251.db2.gz RUZQCFFYUGQCDQ-VIFPVBQESA-N -1 0 343.221 3.656 20 0 EHADRM C[C@@H]1CC[C@@H](C)N1C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000833604586 605136837 /nfs/dbraw/zinc/13/68/37/605136837.db2.gz SCHVFNVPBMWPDQ-RKDXNWHRSA-N -1 0 330.306 3.808 20 0 EHADRM C[C@H](C(=O)Nc1ccccc1C(=O)[O-])c1ccc(Br)cc1 ZINC000833407215 605147534 /nfs/dbraw/zinc/14/75/34/605147534.db2.gz AJYIQGSMWNBMGP-JTQLQIEISA-N -1 0 348.196 3.890 20 0 EHADRM CC(C)(C)C[C@@H](Sc1nnc2sc3ccccc3n12)C(=O)[O-] ZINC000833429868 605148053 /nfs/dbraw/zinc/14/80/53/605148053.db2.gz ZLGFSUVBFLWZCS-LLVKDONJSA-N -1 0 335.454 3.926 20 0 EHADRM Cc1c(NC(=O)Nc2ccc(NC(=O)[O-])cc2)cnn1CC(C)C ZINC000833742559 605154486 /nfs/dbraw/zinc/15/44/86/605154486.db2.gz UUBKCYYEGIUFEX-UHFFFAOYSA-N -1 0 331.376 3.581 20 0 EHADRM CC(C)n1ccn(CN2CC[C@H](C(=O)[O-])c3ccccc32)c1=S ZINC000833513243 605156875 /nfs/dbraw/zinc/15/68/75/605156875.db2.gz HMTLEYAFBUAHOH-AWEZNQCLSA-N -1 0 331.441 3.636 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)c1cccc(F)c1F ZINC000833521961 605159049 /nfs/dbraw/zinc/15/90/49/605159049.db2.gz UYKPCERGEDDCBR-QMMMGPOBSA-N -1 0 338.285 3.685 20 0 EHADRM C[C@@H](C(=O)Nc1cncc(C(=O)[O-])c1)c1c(Cl)cccc1Cl ZINC000833411259 605168658 /nfs/dbraw/zinc/16/86/58/605168658.db2.gz OGIHDJDDCCVIMO-MRVPVSSYSA-N -1 0 339.178 3.829 20 0 EHADRM CC(C)(C)SCCCC(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000833447763 605181573 /nfs/dbraw/zinc/18/15/73/605181573.db2.gz VKBNHDUZYLJQLB-LLVKDONJSA-N -1 0 329.487 3.692 20 0 EHADRM CC(C)Cn1ncc(NC(=O)c2ccc(C(=O)[O-])cc2)c1C(C)C ZINC000819992868 605218522 /nfs/dbraw/zinc/21/85/22/605218522.db2.gz HGBDDOZNSAPMHG-UHFFFAOYSA-N -1 0 329.400 3.613 20 0 EHADRM C[C@@H](Nc1ccc(CN(C)C(=O)[O-])cc1)c1ccc2c(c1)COC2 ZINC000833527375 605219205 /nfs/dbraw/zinc/21/92/05/605219205.db2.gz YQOQEIOYJKYQHM-CYBMUJFWSA-N -1 0 326.396 4.000 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)c1ccc(N2CCCCCC2)nc1)C(=O)[O-] ZINC000833429250 605239427 /nfs/dbraw/zinc/23/94/27/605239427.db2.gz IJTZKBLGEZEPMX-OAHLLOKOSA-N -1 0 348.443 3.508 20 0 EHADRM C[C@@H]1CN(C(=O)NCCc2ccc(NC(=O)[O-])cc2)[C@@H]2CCCC[C@@H]21 ZINC000833620818 605242805 /nfs/dbraw/zinc/24/28/05/605242805.db2.gz GORHYDOAIHTGIK-KBRIMQKVSA-N -1 0 345.443 3.539 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])c(F)c1)Cc1cc(F)c(F)c(F)c1 ZINC000833696185 605247635 /nfs/dbraw/zinc/24/76/35/605247635.db2.gz GAIGSENDZYBWLE-UHFFFAOYSA-N -1 0 327.277 3.573 20 0 EHADRM O=C([O-])N1CCC(Nc2cccc(CSc3ccccn3)c2)CC1 ZINC000831969471 605252392 /nfs/dbraw/zinc/25/23/92/605252392.db2.gz NTBPSAZJHFLILJ-UHFFFAOYSA-N -1 0 343.452 3.928 20 0 EHADRM CNc1nnc(S[C@H](C(=O)[O-])c2ccccc2C(F)(F)F)s1 ZINC000833701233 605260667 /nfs/dbraw/zinc/26/06/67/605260667.db2.gz YZLCSIAIDRWOHD-QMMMGPOBSA-N -1 0 349.359 3.517 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000683325158 605267375 /nfs/dbraw/zinc/26/73/75/605267375.db2.gz NPWVHMMARYZATF-AEFFLSMTSA-N -1 0 345.483 3.995 20 0 EHADRM C[C@H](COc1ccccc1)C(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833521267 605275793 /nfs/dbraw/zinc/27/57/93/605275793.db2.gz YURXRUGPHOEIFP-LLVKDONJSA-N -1 0 332.331 3.569 20 0 EHADRM C/C(=C\C(=O)O[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[O-])C1CC1 ZINC000833384465 605279413 /nfs/dbraw/zinc/27/94/13/605279413.db2.gz RABQIONTMJFQLX-PLWJUESGSA-N -1 0 342.313 3.601 20 0 EHADRM CC1(NC(=O)Nc2ccc(NC(=O)[O-])c(F)c2)Cc2ccccc2C1 ZINC000833566878 605279708 /nfs/dbraw/zinc/27/97/08/605279708.db2.gz CLAYAXIMDDORPX-UHFFFAOYSA-N -1 0 343.358 3.595 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)Nc2ccc(NC(=O)[O-])c(F)c2)CCS1 ZINC000833472610 605283984 /nfs/dbraw/zinc/28/39/84/605283984.db2.gz YHQMEICIZPMFMB-ZDUSSCGKSA-N -1 0 341.408 3.521 20 0 EHADRM O=C([O-])[C@H]1CCCN1C(=O)c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000342541239 605288527 /nfs/dbraw/zinc/28/85/27/605288527.db2.gz FZJBZSFZHTUINQ-MRXNPFEDSA-N -1 0 345.782 3.822 20 0 EHADRM CC(C)c1cnc(COC(=O)CCc2ccc(C(=O)[O-])cc2)s1 ZINC000833511494 605297609 /nfs/dbraw/zinc/29/76/09/605297609.db2.gz VPJOEZLWDCWUPP-UHFFFAOYSA-N -1 0 333.409 3.641 20 0 EHADRM C[C@@H](CSc1ccccc1)c1nc(C[C@@H](C)N(C)C(=O)[O-])no1 ZINC000825015130 605306225 /nfs/dbraw/zinc/30/62/25/605306225.db2.gz CHKAMHSRGVIVCH-NWDGAFQWSA-N -1 0 335.429 3.506 20 0 EHADRM CC(C)(C)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000833422603 605308757 /nfs/dbraw/zinc/30/87/57/605308757.db2.gz JUJASWMSSIXGHK-LBPRGKRZSA-N -1 0 331.334 3.774 20 0 EHADRM CC(C)OCCCC(=O)Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1 ZINC000833503904 605321287 /nfs/dbraw/zinc/32/12/87/605321287.db2.gz SFQOLQCUQUPYOY-UHFFFAOYSA-N -1 0 348.424 3.652 20 0 EHADRM C[C@H]1CCC[C@@H]1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000833608604 605361625 /nfs/dbraw/zinc/36/16/25/605361625.db2.gz NNCRZRFZCHKJMV-STQMWFEESA-N -1 0 327.380 3.678 20 0 EHADRM C[C@@H]1CCC[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000833610020 605368102 /nfs/dbraw/zinc/36/81/02/605368102.db2.gz UXXXVOAJHWYJOH-HONMWMINSA-N -1 0 343.345 3.774 20 0 EHADRM Cc1cc(Nc2nc(Cl)c(C(=O)[O-])s2)nn1[C@H](C)C1CC1 ZINC000833747144 605379563 /nfs/dbraw/zinc/37/95/63/605379563.db2.gz RXQHIUUAULYNPE-SSDOTTSWSA-N -1 0 326.809 3.714 20 0 EHADRM CCC(CC)[C@@H]1C[C@H](NC(=O)Nc2cccc(C(=O)[O-])c2C)CCO1 ZINC000833643006 605395627 /nfs/dbraw/zinc/39/56/27/605395627.db2.gz WMMLZRQGZJAGHF-PBHICJAKSA-N -1 0 348.443 3.799 20 0 EHADRM CCC(CC)[C@H]1C[C@@H](NC(=O)Nc2cc(C(=O)[O-])cs2)CCO1 ZINC000833642024 605401438 /nfs/dbraw/zinc/40/14/38/605401438.db2.gz FDEWPUJOBNKEJM-QWHCGFSZSA-N -1 0 340.445 3.552 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)N2CCC[C@@H]2CCC2CCCC2)o1 ZINC000832678885 605422722 /nfs/dbraw/zinc/42/27/22/605422722.db2.gz SMEPXLUNBZIJQT-CQSZACIVSA-N -1 0 334.416 3.622 20 0 EHADRM CC(=Cc1ccc(C)cc1)C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000833384288 605446955 /nfs/dbraw/zinc/44/69/55/605446955.db2.gz PEEMHJXUDLPZTM-FYWRMAATSA-N -1 0 338.407 3.847 20 0 EHADRM CC(=Cc1ccc(C)cc1)C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000833384291 605447464 /nfs/dbraw/zinc/44/74/64/605447464.db2.gz PEEMHJXUDLPZTM-SQFISAMPSA-N -1 0 338.407 3.847 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000833748220 605450230 /nfs/dbraw/zinc/45/02/30/605450230.db2.gz DYAGRGQWPCIQDG-RDJZCZTQSA-N -1 0 337.419 3.779 20 0 EHADRM CC(C)(C)Sc1cc(C(=O)O[C@H](C(=O)[O-])c2ccccc2)ccn1 ZINC000833448309 605458161 /nfs/dbraw/zinc/45/81/61/605458161.db2.gz ZJMOVZURDCNOOK-HNNXBMFYSA-N -1 0 345.420 3.955 20 0 EHADRM Cc1cc(-c2nc(Cc3ccc(F)cc3)no2)ccc1NC(=O)[O-] ZINC000829888356 605458339 /nfs/dbraw/zinc/45/83/39/605458339.db2.gz BXADKZXHXJWLDH-UHFFFAOYSA-N -1 0 327.315 3.865 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc(F)cc1OC(C)C)C(=O)[O-] ZINC000424386302 605486558 /nfs/dbraw/zinc/48/65/58/605486558.db2.gz VFVUMDLNMZIOQB-UHFFFAOYSA-N -1 0 340.395 3.625 20 0 EHADRM C[C@@H]1C[C@H](Nc2cc(C(=O)[O-])ccc2OCc2ccccc2)CCO1 ZINC000833598970 605491179 /nfs/dbraw/zinc/49/11/79/605491179.db2.gz UCJKWGIDZALLJF-RHSMWYFYSA-N -1 0 341.407 3.943 20 0 EHADRM CCCN(C(=O)N[C@H](C)c1ccccc1C)C1CCN(C(=O)[O-])CC1 ZINC000826866406 605556343 /nfs/dbraw/zinc/55/63/43/605556343.db2.gz NELANKFIZQVDIJ-OAHLLOKOSA-N -1 0 347.459 3.620 20 0 EHADRM Cc1ccnn1-c1ccccc1NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000833909951 605558763 /nfs/dbraw/zinc/55/87/63/605558763.db2.gz FQDGXISALHLDKX-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM CSc1cccc(NC(=O)C[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000829772435 605568532 /nfs/dbraw/zinc/56/85/32/605568532.db2.gz WQDFORKRZOZMEV-HNNXBMFYSA-N -1 0 330.409 3.746 20 0 EHADRM C[C@H](NC(=O)C[C@H](NC(=O)[O-])c1ccccc1)c1c(F)cccc1F ZINC000825103169 605578889 /nfs/dbraw/zinc/57/88/89/605578889.db2.gz WWXBEJAJZHRCDG-NHYWBVRUSA-N -1 0 348.349 3.541 20 0 EHADRM C[C@@H]1C[C@H](C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)CC(C)(C)C1 ZINC000262965667 605613710 /nfs/dbraw/zinc/61/37/10/605613710.db2.gz OXMXZYQCKFVCAQ-CJNGLKHVSA-N -1 0 329.440 3.732 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)C1(C)C ZINC000649253690 605622671 /nfs/dbraw/zinc/62/26/71/605622671.db2.gz OBAVJDXRMYCTRX-HZPDHXFCSA-N -1 0 342.439 3.512 20 0 EHADRM Cn1c(SCc2cccc(NC(=O)[O-])c2)nnc1-c1cccs1 ZINC000833944023 605637293 /nfs/dbraw/zinc/63/72/93/605637293.db2.gz SBDLAYZYBUIOMG-UHFFFAOYSA-N -1 0 346.437 3.926 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCC[C@@H]2C2CCCCC2)c(O)c1 ZINC000834254177 605643517 /nfs/dbraw/zinc/64/35/17/605643517.db2.gz AWACTGDRTSKJRB-OAHLLOKOSA-N -1 0 332.400 3.667 20 0 EHADRM Cc1cc(C(=O)Nc2ccc3c(c2)CCCO3)ccc1NC(=O)[O-] ZINC000829966269 605665253 /nfs/dbraw/zinc/66/52/53/605665253.db2.gz WNCSGPRYRILARH-UHFFFAOYSA-N -1 0 326.352 3.662 20 0 EHADRM CC(=O)Nc1ccc(C)cc1NC(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000823597298 605672207 /nfs/dbraw/zinc/67/22/07/605672207.db2.gz FKIUACDYOTWSGH-UHFFFAOYSA-N -1 0 341.367 3.604 20 0 EHADRM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000833604809 605675460 /nfs/dbraw/zinc/67/54/60/605675460.db2.gz GWVIHOIDVRKBHP-BXUZGUMPSA-N -1 0 343.345 3.507 20 0 EHADRM CCS[C@H]1CCC[C@H](NC(=O)c2ccc(NC(=O)[O-])c(C)c2)C1 ZINC000827495294 605707760 /nfs/dbraw/zinc/70/77/60/605707760.db2.gz IMBFSQODPAMVSO-KBPBESRZSA-N -1 0 336.457 3.879 20 0 EHADRM Cc1cc(C(=O)N(CCC(F)(F)F)CC2CC2)ccc1NC(=O)[O-] ZINC000829914389 605709547 /nfs/dbraw/zinc/70/95/47/605709547.db2.gz IHGQCLKJVDNPHJ-UHFFFAOYSA-N -1 0 344.333 3.890 20 0 EHADRM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000833606820 605709868 /nfs/dbraw/zinc/70/98/68/605709868.db2.gz WKICYDWILKMNDU-IUCAKERBSA-N -1 0 348.296 3.719 20 0 EHADRM Cc1cc(C(=O)N2CCOC3(C2)CCCCCC3)ccc1NC(=O)[O-] ZINC000829935049 605713414 /nfs/dbraw/zinc/71/34/14/605713414.db2.gz VMSMYGRMHFJGBT-UHFFFAOYSA-N -1 0 346.427 3.650 20 0 EHADRM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000833604771 605713485 /nfs/dbraw/zinc/71/34/85/605713485.db2.gz GNBPPYLJSNHBEI-BDAKNGLRSA-N -1 0 348.296 3.719 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CC[C@@H](NC(=O)[O-])C[C@H]2C)cc1 ZINC000824465096 605728470 /nfs/dbraw/zinc/72/84/70/605728470.db2.gz ZARLQUNGAZNHTI-ZSGPHXLJSA-N -1 0 344.455 3.561 20 0 EHADRM O=C([O-])N[C@H]1CC[C@H](OC(=O)c2cnc(-c3ccccc3)s2)CC1 ZINC000834252994 605738749 /nfs/dbraw/zinc/73/87/49/605738749.db2.gz BWRQFIXFVFTXBD-JOCQHMNTSA-N -1 0 346.408 3.546 20 0 EHADRM O=C([O-])N(CC(=O)Nc1c(F)cccc1NC1CC1)c1ccccc1 ZINC000831451509 605761297 /nfs/dbraw/zinc/76/12/97/605761297.db2.gz YIPUBHASJZDNSN-UHFFFAOYSA-N -1 0 343.358 3.523 20 0 EHADRM C[C@H](OC(=O)CCc1ccccc1C(=O)[O-])c1nc(C2CC2)cs1 ZINC000833529342 605795397 /nfs/dbraw/zinc/79/53/97/605795397.db2.gz NWZHZFRLBIEFFG-NSHDSACASA-N -1 0 345.420 3.956 20 0 EHADRM Cc1ccc(CC(=O)Oc2ccc(CC(=O)[O-])cc2F)c(Cl)c1 ZINC000833748249 605799595 /nfs/dbraw/zinc/79/95/95/605799595.db2.gz GRLLGIHZBTZOHO-UHFFFAOYSA-N -1 0 336.746 3.563 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)Cc2ccc3ccccc3c2)c(F)c1 ZINC000833776692 605802659 /nfs/dbraw/zinc/80/26/59/605802659.db2.gz ODPMGAOGIMZSLU-UHFFFAOYSA-N -1 0 338.334 3.754 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)Nc2nc3ccccc3s2)c1 ZINC000834265888 605809282 /nfs/dbraw/zinc/80/92/82/605809282.db2.gz FRGRBOFFIWPZJE-UHFFFAOYSA-N -1 0 327.365 3.567 20 0 EHADRM O=C([O-])c1ccc(F)c(COC(=O)c2ccc(Cl)nc2Cl)c1 ZINC000833780978 605814855 /nfs/dbraw/zinc/81/48/55/605814855.db2.gz LOYOLXQJVUYMQS-UHFFFAOYSA-N -1 0 344.125 3.583 20 0 EHADRM Cc1nc(C2(NCc3cc(C(=O)[O-])ccc3Cl)CCCCC2)no1 ZINC000833755280 605839459 /nfs/dbraw/zinc/83/94/59/605839459.db2.gz HUZGMEPJOSVDBW-UHFFFAOYSA-N -1 0 349.818 3.679 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(O)c(Cl)c1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000833791377 605846733 /nfs/dbraw/zinc/84/67/33/605846733.db2.gz UYIRNCGIXRYAMU-MEBBXXQBSA-N -1 0 348.786 3.629 20 0 EHADRM C/C(=C/CN[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)C(=O)[O-] ZINC000833381865 605852500 /nfs/dbraw/zinc/85/25/00/605852500.db2.gz FANOETSNAGWBFG-JYKYSHPRSA-N -1 0 339.260 3.512 20 0 EHADRM O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)OCCCCC(F)(F)F)C2 ZINC000833988198 605855583 /nfs/dbraw/zinc/85/55/83/605855583.db2.gz PHRGXONEEMFEOW-YOGCLGLASA-N -1 0 337.338 3.573 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1cc(C(=O)[O-])no1)c1ccc(Cl)cc1 ZINC000833485103 605874113 /nfs/dbraw/zinc/87/41/13/605874113.db2.gz YUYSCMMINKVEIU-GFCCVEGCSA-N -1 0 336.775 3.543 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@H]2c2ccc(O)cc2)ccc1NC(=O)[O-] ZINC000829926096 605888612 /nfs/dbraw/zinc/88/86/12/605888612.db2.gz XUULMAOZFWSOKS-KRWDZBQOSA-N -1 0 340.379 3.768 20 0 EHADRM O=C([O-])NCCCCC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000834233869 605922450 /nfs/dbraw/zinc/92/24/50/605922450.db2.gz HHSIEUBHTWFGED-KRWDZBQOSA-N -1 0 343.427 3.659 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)Nc2c(F)cc(Cl)cc2F)c1 ZINC000834266700 605973770 /nfs/dbraw/zinc/97/37/70/605973770.db2.gz HCTBYFNMGUOCCW-UHFFFAOYSA-N -1 0 340.713 3.889 20 0 EHADRM O=C([O-])Nc1cccc(COc2cccc(NC(=O)C3CC3)c2)c1 ZINC000834268266 605993898 /nfs/dbraw/zinc/99/38/98/605993898.db2.gz HSKGASPIZYIFAK-UHFFFAOYSA-N -1 0 326.352 3.704 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCCO[C@H]1CCCC[C@@H]1C ZINC000833906848 606011118 /nfs/dbraw/zinc/01/11/18/606011118.db2.gz OIJVZQRGTWRQLB-BBRMVZONSA-N -1 0 349.431 3.802 20 0 EHADRM O=C([O-])N1CCC[C@H](Nc2cccc(OCc3cccnc3)c2)CC1 ZINC000834104450 606035544 /nfs/dbraw/zinc/03/55/44/606035544.db2.gz KRELLTYHDYUUKZ-INIZCTEOSA-N -1 0 341.411 3.605 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000834270767 606043929 /nfs/dbraw/zinc/04/39/29/606043929.db2.gz BOBVAZWETDBMNY-NWDGAFQWSA-N -1 0 344.333 3.556 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000834270193 606043940 /nfs/dbraw/zinc/04/39/40/606043940.db2.gz BFPLRWLRKSDPAJ-UHFFFAOYSA-N -1 0 342.370 3.649 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000834270656 606049756 /nfs/dbraw/zinc/04/97/56/606049756.db2.gz KXABGJJNCIUFSV-KRWDZBQOSA-N -1 0 342.370 3.822 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)Nc1ccc(OCC2CC2)cc1 ZINC000834273452 606061276 /nfs/dbraw/zinc/06/12/76/606061276.db2.gz NRLICNRWACBORI-UHFFFAOYSA-N -1 0 340.379 3.747 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N1CCCC2(CCCCC2)C1 ZINC000834272071 606061362 /nfs/dbraw/zinc/06/13/62/606061362.db2.gz XWKFUVDGZYGPAH-UHFFFAOYSA-N -1 0 330.428 3.892 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)[C@H](c1ccccc1)C1CC1 ZINC000834055756 606066095 /nfs/dbraw/zinc/06/60/95/606066095.db2.gz DORXJADWUKIGCU-GOSISDBHSA-N -1 0 336.391 3.859 20 0 EHADRM CC(C)CSCCCNC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000833491286 606085722 /nfs/dbraw/zinc/08/57/22/606085722.db2.gz BWGSVQBBCDLEDL-UHFFFAOYSA-N -1 0 325.434 3.677 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)OCc1ccc2ccccc2n1 ZINC000834275217 606088965 /nfs/dbraw/zinc/08/89/65/606088965.db2.gz SJTLOTPUZLCEEG-UHFFFAOYSA-N -1 0 336.347 3.611 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc2[nH]ccc2c1)c1ccc2ccccc2c1 ZINC000191487240 939038399 /nfs/dbraw/zinc/03/83/99/939038399.db2.gz ISPFKFQPLRSMSG-LJQANCHMSA-N -1 0 344.370 3.877 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)NC1(C(=O)[O-])CCC(C)CC1 ZINC000236678268 939044260 /nfs/dbraw/zinc/04/42/60/939044260.db2.gz XGBFLMZYCOPWPL-BIWSTMPVSA-N -1 0 335.419 3.544 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N[C@@H](C(=O)[O-])c3ccccc3)[nH]c2c1 ZINC000728155886 939055705 /nfs/dbraw/zinc/05/57/05/939055705.db2.gz KATSKXVDMOYLSI-GOSISDBHSA-N -1 0 336.391 3.847 20 0 EHADRM O=C([O-])C1(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CCCCC1 ZINC000238056328 939056262 /nfs/dbraw/zinc/05/62/62/939056262.db2.gz BNGQWFOSPJYJFG-UHFFFAOYSA-N -1 0 340.423 3.564 20 0 EHADRM O=C([O-])C1(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)CCCCCC1 ZINC000261959546 939058004 /nfs/dbraw/zinc/05/80/04/939058004.db2.gz XLPXOYIPALOTCZ-RYUDHWBXSA-N -1 0 335.366 3.649 20 0 EHADRM O=C(C=C(C1CC1)C1CC1)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000762212238 939071905 /nfs/dbraw/zinc/07/19/05/939071905.db2.gz TWVDDOJEPSGDCN-FQEVSTJZSA-N -1 0 335.403 3.828 20 0 EHADRM Cc1ccc([C@H](NC(=O)CCCc2cccs2)C(=O)[O-])cc1C ZINC000263067508 939097195 /nfs/dbraw/zinc/09/71/95/939097195.db2.gz TWFIMHQXFYBVDG-KRWDZBQOSA-N -1 0 331.437 3.630 20 0 EHADRM Cc1cc(C(=O)N[C@](C)(C(=O)[O-])c2ccc(F)cc2)c(C)n1C(C)C ZINC000263205323 939109529 /nfs/dbraw/zinc/10/95/29/939109529.db2.gz OGZOSQFDNNYTSF-IBGZPJMESA-N -1 0 346.402 3.555 20 0 EHADRM C[C@@](NC(=O)Nc1cc(F)cc(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC000322685037 939125137 /nfs/dbraw/zinc/12/51/37/939125137.db2.gz PZSDLIZQKNKTQX-INIZCTEOSA-N -1 0 336.750 3.601 20 0 EHADRM CCC1CCC(NC(=O)[C@@H]2C[C@@H]2c2sccc2C)(C(=O)[O-])CC1 ZINC000346016533 939128347 /nfs/dbraw/zinc/12/83/47/939128347.db2.gz NIQDKBMFMKMFRK-RYTBJUFESA-N -1 0 335.469 3.700 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc(Cl)c(F)c1 ZINC000345775709 939128353 /nfs/dbraw/zinc/12/83/53/939128353.db2.gz ANACBPFFLYUODJ-ZDUSSCGKSA-N -1 0 342.153 3.688 20 0 EHADRM COc1ccc([C@H](NC(=O)Nc2cc(Cl)ccc2C)C(=O)[O-])cc1 ZINC000788317578 939148981 /nfs/dbraw/zinc/14/89/81/939148981.db2.gz IBXKWISHGRTHHU-HNNXBMFYSA-N -1 0 348.786 3.604 20 0 EHADRM CC[C@@](NC(=O)[C@H](C)Cc1ccc(C)cc1)(C(=O)[O-])c1ccccc1 ZINC000439900574 939202928 /nfs/dbraw/zinc/20/29/28/939202928.db2.gz XQGRRUSVGBHLOU-IERDGZPVSA-N -1 0 339.435 3.680 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000797742578 939204623 /nfs/dbraw/zinc/20/46/23/939204623.db2.gz KIPVBFLNZLBYKE-DJJJIMSYSA-N -1 0 342.395 3.516 20 0 EHADRM CC[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1cccs1)c1ccc(C)cc1 ZINC000448992840 939205495 /nfs/dbraw/zinc/20/54/95/939205495.db2.gz MHIRYBOMOFBSLK-SUMWQHHRSA-N -1 0 331.437 3.882 20 0 EHADRM CC[C@](NC(=O)c1ccccc1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507275777 939231213 /nfs/dbraw/zinc/23/12/13/939231213.db2.gz CPDAZTIPRIPCIO-GOSISDBHSA-N -1 0 331.799 3.768 20 0 EHADRM CC[C@](NC(=O)c1ccc(F)cc1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507280768 939231484 /nfs/dbraw/zinc/23/14/84/939231484.db2.gz FVKCJTVBNGZHBF-GOSISDBHSA-N -1 0 349.789 3.907 20 0 EHADRM Cc1cccc([C@H](NC(=O)Nc2cccc(Cl)c2)C(=O)[O-])c1C ZINC000516640696 939245205 /nfs/dbraw/zinc/24/52/05/939245205.db2.gz NLOXFODZNRLFNU-HNNXBMFYSA-N -1 0 332.787 3.904 20 0 EHADRM CSCCCCCCC(=O)N[C@@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC000864149890 939252887 /nfs/dbraw/zinc/25/28/87/939252887.db2.gz YTZQVSOYDGBWEH-QGZVFWFLSA-N -1 0 341.448 3.555 20 0 EHADRM CC1(C)CCC[C@@](NC(=O)/C=C\SCc2ccco2)(C(=O)[O-])C1 ZINC000864168337 939254721 /nfs/dbraw/zinc/25/47/21/939254721.db2.gz IUOCYTLARCRIKS-IVEQORNPSA-N -1 0 337.441 3.566 20 0 EHADRM CC[C@H](C)c1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccccn2)c1 ZINC000864582704 939259137 /nfs/dbraw/zinc/25/91/37/939259137.db2.gz DMIRXKKXOQVKGI-LRDDRELGSA-N -1 0 327.384 3.543 20 0 EHADRM Cc1cc(OC(C)C)ccc1NC(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC000900330493 939275052 /nfs/dbraw/zinc/27/50/52/939275052.db2.gz AMLIELREMIQJDC-OAHLLOKOSA-N -1 0 348.424 3.791 20 0 EHADRM C[C@](NC(=O)Nc1ccc(COC2CCCC2)cc1)(C(=O)[O-])C1CC1 ZINC000554605276 939300818 /nfs/dbraw/zinc/30/08/18/939300818.db2.gz LOSDEKGZAWASNL-LJQANCHMSA-N -1 0 346.427 3.521 20 0 EHADRM Cc1cc(NC(=O)N[C@@H](C(=O)[O-])c2ccccc2)ccc1OC(C)C ZINC000557794485 939309112 /nfs/dbraw/zinc/30/91/12/939309112.db2.gz XKNAKVUQWZEBOB-QGZVFWFLSA-N -1 0 342.395 3.730 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)s1 ZINC000559431891 939312965 /nfs/dbraw/zinc/31/29/65/939312965.db2.gz SASHRJSZCCOTQA-GFCCVEGCSA-N -1 0 342.779 3.796 20 0 EHADRM CC[C@@](NC(=O)NCc1ccc(Cl)cc1)(C(=O)[O-])c1ccccc1 ZINC000561509778 939319214 /nfs/dbraw/zinc/31/92/14/939319214.db2.gz SAVHBXUKGGGCDF-SFHVURJKSA-N -1 0 346.814 3.529 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1ccc(SC2CCCC2)cc1)C1CC1 ZINC000563852729 939341568 /nfs/dbraw/zinc/34/15/68/939341568.db2.gz MKMQLDVQRUUMPY-OAHLLOKOSA-N -1 0 334.441 3.706 20 0 EHADRM CC(C)[C@H](CNC(=O)N[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000563912943 939342057 /nfs/dbraw/zinc/34/20/57/939342057.db2.gz QFRDUHOKWVXVHN-ZWKOTPCHSA-N -1 0 340.423 3.551 20 0 EHADRM CC(C)OCc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2cccs2)c1 ZINC000565812430 939351792 /nfs/dbraw/zinc/35/17/92/939351792.db2.gz QPNXYSQEWVNCOQ-OAHLLOKOSA-N -1 0 348.424 3.621 20 0 EHADRM Cc1cccc([C@H](NC(=O)Nc2cc(F)cc(F)c2)C(=O)[O-])c1C ZINC000565870533 939351985 /nfs/dbraw/zinc/35/19/85/939351985.db2.gz VLSFOYBVWRMWIA-HNNXBMFYSA-N -1 0 334.322 3.529 20 0 EHADRM O=C([O-])[C@@H](NC(=O)NC1CCCCC1)c1ccc2ccccc2c1 ZINC000571001965 939387897 /nfs/dbraw/zinc/38/78/97/939387897.db2.gz GENRMXJIQANMNO-KRWDZBQOSA-N -1 0 326.396 3.597 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2ccc(SC3CCCC3)cc2)CCC1 ZINC000571363765 939390933 /nfs/dbraw/zinc/39/09/33/939390933.db2.gz VDTNUIPKLWFRTD-UHFFFAOYSA-N -1 0 334.441 3.850 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(O)cc2)cc1 ZINC000573053928 939404392 /nfs/dbraw/zinc/40/43/92/939404392.db2.gz KXRWLQZRWHXAMG-INIZCTEOSA-N -1 0 342.395 3.637 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CC1CC(c2ccccc2)C1)c1cccs1 ZINC000574756614 939728867 /nfs/dbraw/zinc/72/88/67/939728867.db2.gz BFSSZUWONFMJKP-AJUCZRQESA-N -1 0 329.421 3.574 20 0 EHADRM CCCCc1ccc(NC(=O)N[C@H](C(=O)[O-])c2cccc(O)c2)cc1 ZINC000574747929 939728923 /nfs/dbraw/zinc/72/89/23/939728923.db2.gz CDFVPZVQCDEWQN-KRWDZBQOSA-N -1 0 342.395 3.682 20 0 EHADRM O=C([O-])[C@H](NC(=O)N[C@H]1CC=CCC1)c1ccc(Cl)cc1Cl ZINC000576574147 939740211 /nfs/dbraw/zinc/74/02/11/939740211.db2.gz SOOGCEVWUABZTQ-GXFFZTMASA-N -1 0 343.210 3.527 20 0 EHADRM CCSCc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC000577296867 939745912 /nfs/dbraw/zinc/74/59/12/939745912.db2.gz QGRBVKPUVNHEBO-CQSZACIVSA-N -1 0 335.450 3.557 20 0 EHADRM Cc1cc(C)cc([C@@H](NC(=O)Nc2ccccc2Cl)C(=O)[O-])c1 ZINC000577930027 939750119 /nfs/dbraw/zinc/75/01/19/939750119.db2.gz LPSNRSNSVMXLEO-OAHLLOKOSA-N -1 0 332.787 3.904 20 0 EHADRM Cc1cc(C)cc([C@@H](NC(=O)NCc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC000578480087 939754481 /nfs/dbraw/zinc/75/44/81/939754481.db2.gz UILVXUZQGMOKOZ-MRXNPFEDSA-N -1 0 346.814 3.582 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1ccc(C2CCC2)cc1)c1ccc(O)cc1 ZINC000580283589 939769831 /nfs/dbraw/zinc/76/98/31/939769831.db2.gz GUVMYKMFKJKFKH-KRWDZBQOSA-N -1 0 340.379 3.607 20 0 EHADRM CCc1ccc(CNC(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2C)s1 ZINC000584832569 939800038 /nfs/dbraw/zinc/80/00/38/939800038.db2.gz NVFXZIXEWOUQCJ-MRXNPFEDSA-N -1 0 346.452 3.552 20 0 EHADRM C[C@@](NC(=O)C1CC2(CC2)C1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000659156429 939848015 /nfs/dbraw/zinc/84/80/15/939848015.db2.gz IONIYQIGTJKCLC-HNNXBMFYSA-N -1 0 342.222 3.600 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)c2[nH]c3ccccc3c2Cl)(C(=O)[O-])CC1 ZINC000659179115 939849732 /nfs/dbraw/zinc/84/97/32/939849732.db2.gz ALOYKHUMCJQYGP-UJYYRWPFSA-N -1 0 334.803 3.585 20 0 EHADRM Cc1nc(-c2ccccc2)sc1NC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC000663045496 939850971 /nfs/dbraw/zinc/85/09/71/939850971.db2.gz ILXYCVUORYYDFX-CQSZACIVSA-N -1 0 344.436 3.948 20 0 EHADRM C[C@@H](NC(=O)NC1(C(=O)[O-])CCCCC1)c1cc2ccccc2o1 ZINC000679540641 939869847 /nfs/dbraw/zinc/86/98/47/939869847.db2.gz NJYKLQKLVKZRQJ-GFCCVEGCSA-N -1 0 330.384 3.581 20 0 EHADRM Cc1cc(NC(=O)Cc2c(C)cc(N(C)C)cc2C)ccc1C(=O)[O-] ZINC001600257376 970784956 /nfs/dbraw/zinc/78/49/56/970784956.db2.gz QJOZIJOUGBLWJH-UHFFFAOYSA-N -1 0 340.423 3.557 20 0 EHADRM CN(CCc1ccc(F)cc1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001610939108 970797116 /nfs/dbraw/zinc/79/71/16/970797116.db2.gz VYBBSYINUCKPOP-UHFFFAOYSA-N -1 0 344.386 3.549 20 0 EHADRM Cc1ccc([C@@H](NC(=O)c2cccc(C(=O)[O-])c2)c2ccccn2)cc1 ZINC001600385730 970802186 /nfs/dbraw/zinc/80/21/86/970802186.db2.gz XUJLVHGVJMOGLU-LJQANCHMSA-N -1 0 346.386 3.608 20 0 EHADRM Cc1cc(NC(=O)N(C)[C@H](C)Cc2cccs2)ccc1C(=O)[O-] ZINC000321989285 970834230 /nfs/dbraw/zinc/83/42/30/970834230.db2.gz PZGLZAQELJHCHV-GFCCVEGCSA-N -1 0 332.425 3.850 20 0 EHADRM Cc1nc(-c2ccccc2)sc1COC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001600677880 970845472 /nfs/dbraw/zinc/84/54/72/970845472.db2.gz ATWWEZSCZNOPTB-KGLIPLIRSA-N -1 0 345.420 3.663 20 0 EHADRM C[C@H](Cc1cccs1)N(C)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000322044345 970841048 /nfs/dbraw/zinc/84/10/48/970841048.db2.gz XIVGERQWNORYJN-SNVBAGLBSA-N -1 0 336.388 3.680 20 0 EHADRM COc1cc(Cl)ccc1-c1noc(-c2cccc(C(=O)[O-])c2)n1 ZINC000323161040 970971956 /nfs/dbraw/zinc/97/19/56/970971956.db2.gz IMRSPCSLBPVUKO-UHFFFAOYSA-N -1 0 330.727 3.764 20 0 EHADRM COc1cc(NC(=O)N(C)[C@H](C)c2cccs2)ccc1C(=O)[O-] ZINC000323256880 970981590 /nfs/dbraw/zinc/98/15/90/970981590.db2.gz AUEWKTBVNRIDIA-SNVBAGLBSA-N -1 0 334.397 3.680 20 0 EHADRM C[C@@H]1CCC[C@@H](NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC000323563863 971016917 /nfs/dbraw/zinc/01/69/17/971016917.db2.gz IXCQHSFRSBLRLD-NXEZZACHSA-N -1 0 326.343 3.753 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)c2cc3ncccc3o2)c1Cl ZINC001601604109 971028784 /nfs/dbraw/zinc/02/87/84/971028784.db2.gz NEUZCWLLAYINCV-UHFFFAOYSA-N -1 0 334.690 3.571 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)NCc2ccccc2Cl)c1F ZINC000324004524 971072520 /nfs/dbraw/zinc/07/25/20/971072520.db2.gz NVJANOOLSDVYCE-UHFFFAOYSA-N -1 0 340.713 3.638 20 0 EHADRM CC[C@@H](NC(=O)CC1(CC(=O)[O-])CCCC1)c1ccc(OC)cc1 ZINC000324461551 971122622 /nfs/dbraw/zinc/12/26/22/971122622.db2.gz GSOSGEFBSZLMRA-MRXNPFEDSA-N -1 0 333.428 3.688 20 0 EHADRM CC(C)CCC[C@@H](C)n1c(=O)c2ccccc2nc1SCC(=O)[O-] ZINC000324488679 971125554 /nfs/dbraw/zinc/12/55/54/971125554.db2.gz IMLZXHNCDIOARD-CYBMUJFWSA-N -1 0 348.468 3.961 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)NCC2(c3ccccc3)CC2)c1 ZINC001602043293 971128955 /nfs/dbraw/zinc/12/89/55/971128955.db2.gz UWCJVRGIAJOFMG-UHFFFAOYSA-N -1 0 338.407 3.557 20 0 EHADRM CCCC1CCC(NC(=O)NCCc2ccc(C(=O)[O-])cc2)CC1 ZINC000324621711 971139825 /nfs/dbraw/zinc/13/98/25/971139825.db2.gz RHPCWCXPLUQNKF-UHFFFAOYSA-N -1 0 332.444 3.585 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)CCCc2cc(F)ccc2F)c1 ZINC001602135471 971153664 /nfs/dbraw/zinc/15/36/64/971153664.db2.gz BJLXZRAQGBXBKY-UHFFFAOYSA-N -1 0 333.334 3.553 20 0 EHADRM CCC1CCC(N(C)C(=O)NCCc2cccc(C(=O)[O-])c2)CC1 ZINC000325018918 971176994 /nfs/dbraw/zinc/17/69/94/971176994.db2.gz FOYZIKQGCKLUIF-UHFFFAOYSA-N -1 0 332.444 3.538 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(Cc1cc(-c3cccs3)on1)CC2 ZINC000325261672 971199604 /nfs/dbraw/zinc/19/96/04/971199604.db2.gz NZNPOUGRNQQNOH-UHFFFAOYSA-N -1 0 340.404 3.660 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CCCc2ccc(F)c(Cl)c21 ZINC001602465530 971203838 /nfs/dbraw/zinc/20/38/38/971203838.db2.gz UCUHJKRQRMCVRI-UHFFFAOYSA-N -1 0 347.773 3.699 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)N[C@@H]2CCCc3sccc32)c1 ZINC000325349188 971207052 /nfs/dbraw/zinc/20/70/52/971207052.db2.gz FFRGVMPWFVEBLM-OAHLLOKOSA-N -1 0 344.436 3.964 20 0 EHADRM Cc1ccc(NC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC000325700650 971237177 /nfs/dbraw/zinc/23/71/77/971237177.db2.gz KIFAYLFRMZBSMN-CQSZACIVSA-N -1 0 344.798 3.864 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C2CCC(C(F)(F)F)CC2)c2ccccc21 ZINC000325769258 971242054 /nfs/dbraw/zinc/24/20/54/971242054.db2.gz ICQLEKUMCNRRBA-GCZXYKMCSA-N -1 0 341.329 3.570 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000326040379 971262068 /nfs/dbraw/zinc/26/20/68/971262068.db2.gz YSMIBURMGBNWJW-VIFPVBQESA-N -1 0 348.380 3.659 20 0 EHADRM O=C([O-])c1ccc2c(c1)N(C(=O)c1cc3cc(F)ccc3s1)CC2 ZINC000326173712 971272614 /nfs/dbraw/zinc/27/26/14/971272614.db2.gz OOEGUCNRKRQRDQ-UHFFFAOYSA-N -1 0 341.363 3.942 20 0 EHADRM COc1ccc(NC(=O)N2CC=C(C(C)(C)C)CC2)c(C(=O)[O-])c1 ZINC000326183761 971272914 /nfs/dbraw/zinc/27/29/14/971272914.db2.gz JNPVYKRBVDXCBJ-UHFFFAOYSA-N -1 0 332.400 3.604 20 0 EHADRM CCCOc1cccc(C(=O)Nc2ccc(CC)cc2C(=O)[O-])c1 ZINC000326537919 971301338 /nfs/dbraw/zinc/30/13/38/971301338.db2.gz JRGRDHUBXKFXCL-UHFFFAOYSA-N -1 0 327.380 3.988 20 0 EHADRM Cc1c(C(=O)[O-])cc(CNc2ccccc2OCC(F)(F)F)n1C ZINC000326573759 971305373 /nfs/dbraw/zinc/30/53/73/971305373.db2.gz GAVTWIXHIZWKGL-UHFFFAOYSA-N -1 0 342.317 3.585 20 0 EHADRM C[C@H](CCc1ccccc1)NC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000326855738 971335596 /nfs/dbraw/zinc/33/55/96/971335596.db2.gz RSKFFXBAEJSAJN-WBVHZDCISA-N -1 0 346.471 3.540 20 0 EHADRM CCc1cccc(CC)c1NC(=O)NCc1ccccc1CC(=O)[O-] ZINC000326935325 971347473 /nfs/dbraw/zinc/34/74/73/971347473.db2.gz DSHSBUUCJBBRRP-UHFFFAOYSA-N -1 0 340.423 3.760 20 0 EHADRM Cc1cccc(C)c1OCCC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC000327715253 971420964 /nfs/dbraw/zinc/42/09/64/971420964.db2.gz CPZVISVMSSIHGB-KRWDZBQOSA-N -1 0 347.455 3.612 20 0 EHADRM O=C([O-])c1cccc2c1CCN(c1ccc(C(F)F)cc1[N+](=O)[O-])C2 ZINC000328017727 971441616 /nfs/dbraw/zinc/44/16/16/971441616.db2.gz IPZNFBSFXBVEFY-UHFFFAOYSA-N -1 0 348.305 3.793 20 0 EHADRM CC(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1Cl ZINC001602765397 971491624 /nfs/dbraw/zinc/49/16/24/971491624.db2.gz RXLAYHDYMXUMTB-UHFFFAOYSA-N -1 0 346.770 3.557 20 0 EHADRM Cc1ccc(C)c(OCCC(=O)Nc2c(C)cccc2C(=O)[O-])c1 ZINC000013432806 948781491 /nfs/dbraw/zinc/78/14/91/948781491.db2.gz URFQKUWGKAFXDH-UHFFFAOYSA-N -1 0 327.380 3.718 20 0 EHADRM CC[C@@H](CNc1nc(C)nc2sc3c(c21)CC[C@H](C)C3)C(=O)[O-] ZINC001589555473 948789806 /nfs/dbraw/zinc/78/98/06/948789806.db2.gz TVHVJDWJZGQQOO-ONGXEEELSA-N -1 0 333.457 3.647 20 0 EHADRM CC[C@H](C)[C@H](Nc1ncnc2sc3c(c21)CC[C@@H](C)C3)C(=O)[O-] ZINC000034691212 948804919 /nfs/dbraw/zinc/80/49/19/948804919.db2.gz NLXGXLBEULRIGZ-BFVZDQMLSA-N -1 0 333.457 3.727 20 0 EHADRM CC[C@H](Cc1ccc(F)cc1)NC(=O)Nc1ccccc1CC(=O)[O-] ZINC001589560893 948806108 /nfs/dbraw/zinc/80/61/08/948806108.db2.gz BJWULEBPYOTPBP-MRXNPFEDSA-N -1 0 344.386 3.596 20 0 EHADRM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001589560938 948807554 /nfs/dbraw/zinc/80/75/54/948807554.db2.gz CVHLEKYTOHOBDS-CRAIPNDOSA-N -1 0 335.831 3.588 20 0 EHADRM CC[C@@H](NC(=O)NCC(CC)(CC)C(=O)[O-])c1ccc(F)cc1F ZINC001589564683 948844606 /nfs/dbraw/zinc/84/46/06/948844606.db2.gz PYZHFGXGBJDTEH-CQSZACIVSA-N -1 0 342.386 3.606 20 0 EHADRM CC(C)c1ccsc1C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000342543025 971519030 /nfs/dbraw/zinc/51/90/30/971519030.db2.gz HWMKCHLCDXIOQK-SFHVURJKSA-N -1 0 331.437 3.644 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000346031449 971520991 /nfs/dbraw/zinc/52/09/91/971520991.db2.gz VLJOONSUEYFPAO-UHFFFAOYSA-N -1 0 343.210 3.800 20 0 EHADRM CCCC[C@@H](NC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000347264825 971522994 /nfs/dbraw/zinc/52/29/94/971522994.db2.gz SUVPHYYTFIXLOE-SMDDNHRTSA-N -1 0 345.361 3.644 20 0 EHADRM Cc1ccc(NC(=O)c2cccc(C(=O)[O-])c2)cc1Br ZINC000070142852 948976424 /nfs/dbraw/zinc/97/64/24/948976424.db2.gz HSUBJFHVZDHSNC-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)nn1C(C)(C)C ZINC000349469083 971526965 /nfs/dbraw/zinc/52/69/65/971526965.db2.gz RNNXGPBXHIOZRY-UHFFFAOYSA-N -1 0 329.400 3.514 20 0 EHADRM CCc1noc(C)c1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000353935794 971528479 /nfs/dbraw/zinc/52/84/79/971528479.db2.gz WIJUKNQBCMJWGA-UHFFFAOYSA-N -1 0 330.365 3.711 20 0 EHADRM O=C([O-])c1coc(C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)c1 ZINC000352385728 971529180 /nfs/dbraw/zinc/52/91/80/971529180.db2.gz MDRZPQRNJDMMLW-LLVKDONJSA-N -1 0 340.162 3.702 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)[C@@H](C)CSc2ccccc2)C1 ZINC001589583678 949018567 /nfs/dbraw/zinc/01/85/67/949018567.db2.gz BZPYXDJNEWJOFV-KSSFIOAISA-N -1 0 335.469 3.518 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCc2csc3ccccc23)c(F)c1 ZINC000358599093 971531530 /nfs/dbraw/zinc/53/15/30/971531530.db2.gz WZTSNXWPQGUYOT-UHFFFAOYSA-N -1 0 329.352 3.669 20 0 EHADRM CC[C@@H](Sc1nccn1-c1ccc(Br)cc1)C(=O)[O-] ZINC001589584216 949026713 /nfs/dbraw/zinc/02/67/13/949026713.db2.gz BMOBPCXQBRKSAD-LLVKDONJSA-N -1 0 341.230 3.590 20 0 EHADRM Cc1cnc(-c2cccc(NC(=O)Cc3cccc(C(=O)[O-])c3)c2)o1 ZINC000360555515 971532580 /nfs/dbraw/zinc/53/25/80/971532580.db2.gz WDTXRHZEZOVXLR-UHFFFAOYSA-N -1 0 336.347 3.529 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2[nH]c3ccccc3c2Cl)cc1 ZINC000347725024 971525985 /nfs/dbraw/zinc/52/59/85/971525985.db2.gz BYHHKSTXJBLACA-UHFFFAOYSA-N -1 0 328.755 3.701 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2ccc(COC(C)C)cc2)C1 ZINC001589597093 949164512 /nfs/dbraw/zinc/16/45/12/949164512.db2.gz AQBZIKORGGUZEM-IBGZPJMESA-N -1 0 348.443 3.720 20 0 EHADRM O=C([O-])CC1(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2)CCC1 ZINC000094290746 949176956 /nfs/dbraw/zinc/17/69/56/949176956.db2.gz TXRDCUPECSNQRG-NSCUHMNNSA-N -1 0 328.195 3.520 20 0 EHADRM C[C@H](C(=O)Nc1sccc1C(=O)[O-])c1cn(C)c2ccccc12 ZINC001602796326 971560281 /nfs/dbraw/zinc/56/02/81/971560281.db2.gz YGCXZWHGEWUENJ-JTQLQIEISA-N -1 0 328.393 3.680 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCc2ccc(Oc3ccccc3)cc2)nc1 ZINC001595220333 949233073 /nfs/dbraw/zinc/23/30/73/949233073.db2.gz BVQVVMBBPCEHMX-UHFFFAOYSA-N -1 0 348.358 3.502 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCc2c(Cl)oc3ccccc32)cc1 ZINC001595220606 949234982 /nfs/dbraw/zinc/23/49/82/949234982.db2.gz VDPFDRHDEHNDAI-UHFFFAOYSA-N -1 0 329.739 3.714 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)N(c1nc2ccccc2s1)c1ccccc1 ZINC001602796960 971565443 /nfs/dbraw/zinc/56/54/43/971565443.db2.gz LXPYUYNOEZYXJK-LLVKDONJSA-N -1 0 326.377 3.682 20 0 EHADRM N#Cc1ccc(Br)cc1NCc1ccc(C(=O)[O-])cc1 ZINC000122881575 949243931 /nfs/dbraw/zinc/24/39/31/949243931.db2.gz WKGNQYFPJBPOGP-UHFFFAOYSA-N -1 0 331.169 3.631 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)o1 ZINC001595225160 949282791 /nfs/dbraw/zinc/28/27/91/949282791.db2.gz IDEPGXBAFLUNQV-CFNZNRNTSA-N -1 0 345.782 3.661 20 0 EHADRM CCC1(CC)CCCN1C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001589612128 949330398 /nfs/dbraw/zinc/33/03/98/949330398.db2.gz GDVFSMYCPAZYTO-HZPDHXFCSA-N -1 0 330.428 3.664 20 0 EHADRM CC[C@H]1CCc2c(sc(NC(=O)CCCCOC)c2C(=O)[O-])C1 ZINC001589622638 949436648 /nfs/dbraw/zinc/43/66/48/949436648.db2.gz KEMANGVUVBTPEV-NSHDSACASA-N -1 0 339.457 3.716 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)[C@H]2CCC[C@H]2Cc2ccccc2)c1 ZINC001595243413 949488459 /nfs/dbraw/zinc/48/84/59/949488459.db2.gz WEOBAHRRDACKNR-HKUYNNGSSA-N -1 0 337.419 3.660 20 0 EHADRM CCC[C@H](Cc1ccccc1)NC(=O)NCC(CC)(CC)C(=O)[O-] ZINC001589632576 949568641 /nfs/dbraw/zinc/56/86/41/949568641.db2.gz WVODUSYIGGLEHB-MRXNPFEDSA-N -1 0 334.460 3.588 20 0 EHADRM O=C([O-])c1ccccc1CNCc1c(F)cccc1OC(F)(F)F ZINC001595255046 949586293 /nfs/dbraw/zinc/58/62/93/949586293.db2.gz DXNJTRRZDHUAQW-UHFFFAOYSA-N -1 0 343.276 3.712 20 0 EHADRM CCC[C@@H]1CCCC[C@@H]1NC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001589637889 949636983 /nfs/dbraw/zinc/63/69/83/949636983.db2.gz UFKCZEXYOYDWNN-OLMNPRSZSA-N -1 0 344.455 3.739 20 0 EHADRM O=C([O-])c1ccccc1OCCOc1ccc(F)c2cccnc12 ZINC001595259913 949646510 /nfs/dbraw/zinc/64/65/10/949646510.db2.gz IPTNZIFIOULMRC-UHFFFAOYSA-N -1 0 327.311 3.530 20 0 EHADRM CCCC[C@@H]1CCC[C@H]1NC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001589639735 949671162 /nfs/dbraw/zinc/67/11/62/949671162.db2.gz JRZBPDMRNQCPRF-ZTFGCOKTSA-N -1 0 344.455 3.739 20 0 EHADRM CCCCC[C@@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)C(C)(C)C ZINC001589641777 949697761 /nfs/dbraw/zinc/69/77/61/949697761.db2.gz AQYRTMXPJQKDHT-ARFHVFGLSA-N -1 0 338.492 3.734 20 0 EHADRM O=C([O-])c1cncc(NC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)c1 ZINC001595270363 949819759 /nfs/dbraw/zinc/81/97/59/949819759.db2.gz BFRCCKBNZOYTFG-QZTJIDSGSA-N -1 0 332.359 3.675 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)O[C@H]1CCC[C@H]1Cc1cccc(Cl)c1 ZINC001595274649 949896458 /nfs/dbraw/zinc/89/64/58/949896458.db2.gz FAWOJQQPMUOADI-UKMLZYKCSA-N -1 0 336.815 3.705 20 0 EHADRM CCSCc1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000236860791 949939718 /nfs/dbraw/zinc/93/97/18/949939718.db2.gz JBRNYUHLKXYRHU-AWEZNQCLSA-N -1 0 335.469 3.657 20 0 EHADRM CC(C)c1ccc(-c2nc(C(=O)N3CCC[C@@H]3C(=O)[O-])cs2)cc1 ZINC000236850112 949940250 /nfs/dbraw/zinc/94/02/50/949940250.db2.gz NBMKKAXROGYNRB-OAHLLOKOSA-N -1 0 344.436 3.623 20 0 EHADRM CCCN(Cc1ccc(F)cc1F)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001589674466 949978339 /nfs/dbraw/zinc/97/83/39/949978339.db2.gz ZBMRWUCWDDJBBT-UHFFFAOYSA-N -1 0 349.337 3.502 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000237933975 949981553 /nfs/dbraw/zinc/98/15/53/949981553.db2.gz IZOMBAMYFUPMJW-YRISNDGFSA-N -1 0 341.451 3.527 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1C(=O)CCCSc1ccc(Cl)cc1 ZINC000238029689 949988892 /nfs/dbraw/zinc/98/88/92/949988892.db2.gz BLXNSNWBWMMBNL-AWEZNQCLSA-N -1 0 341.860 3.678 20 0 EHADRM CCCOc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001589684637 950064210 /nfs/dbraw/zinc/06/42/10/950064210.db2.gz VNOVOKHEYBMNAG-INIZCTEOSA-N -1 0 346.358 3.562 20 0 EHADRM Cc1oc(-c2ccccc2)nc1C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000262203939 950083721 /nfs/dbraw/zinc/08/37/21/950083721.db2.gz VQUBRGYLBGAZKG-HNNXBMFYSA-N -1 0 342.395 3.510 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000262288984 950105860 /nfs/dbraw/zinc/10/58/60/950105860.db2.gz ZYRBRHDPMCOASP-IAGOWNOFSA-N -1 0 333.403 3.598 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)c1 ZINC000262350533 950111526 /nfs/dbraw/zinc/11/15/26/950111526.db2.gz FBIXHCNJYZUUGN-LSDHHAIUSA-N -1 0 345.345 3.724 20 0 EHADRM C[C@H](C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C)c1ccc2ccccc2c1 ZINC000263140350 950288725 /nfs/dbraw/zinc/28/87/25/950288725.db2.gz GPZQBQJERNRBPJ-DEYYWGMASA-N -1 0 325.408 3.655 20 0 EHADRM C[C@@H]1CN(C(=O)C2(c3cccc(Cl)c3)CCCC2)CC[C@@H]1C(=O)[O-] ZINC000263155447 950299139 /nfs/dbraw/zinc/29/91/39/950299139.db2.gz ZKGIIBNXLNWVBM-CJNGLKHVSA-N -1 0 349.858 3.721 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccccc2OC2CCCC2)C1 ZINC000263175798 950312234 /nfs/dbraw/zinc/31/22/34/950312234.db2.gz SSKLHYFGFDBUTC-ZIAGYGMSSA-N -1 0 346.427 3.583 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000263216120 950330662 /nfs/dbraw/zinc/33/06/62/950330662.db2.gz ODCVZYJLGATICN-IUCAKERBSA-N -1 0 349.736 3.684 20 0 EHADRM C[C@@H](NC(=O)CCCCC(=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000263276216 950346736 /nfs/dbraw/zinc/34/67/36/950346736.db2.gz IZDTZOFXUXNMNT-GFCCVEGCSA-N -1 0 332.425 3.632 20 0 EHADRM C[C@H](NC(=O)NCCCC(=O)[O-])c1ccc(Cl)c2ccccc21 ZINC000263276399 950346924 /nfs/dbraw/zinc/34/69/24/950346924.db2.gz SKDGOMIYLVSMEG-NSHDSACASA-N -1 0 334.803 3.718 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)C1 ZINC000263308366 950359020 /nfs/dbraw/zinc/35/90/20/950359020.db2.gz HOYBOYMAPQZXHM-ALQDCCJHSA-N -1 0 337.419 3.513 20 0 EHADRM COc1ccc(-c2ccc(CNC(=O)CCCCC(=O)[O-])s2)cc1 ZINC000263328457 950373212 /nfs/dbraw/zinc/37/32/12/950373212.db2.gz UFNSIUACBIPRCW-UHFFFAOYSA-N -1 0 347.436 3.685 20 0 EHADRM CCCN(C(=O)CCCCC(=O)[O-])[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000263329700 950374931 /nfs/dbraw/zinc/37/49/31/950374931.db2.gz UNOAUQPKSBNMGL-JKSUJKDBSA-N -1 0 339.476 3.608 20 0 EHADRM Cc1c(C(=O)N2CCCC[C@H]2CCC(=O)[O-])cnn1C1CCCCC1 ZINC000263476075 950482608 /nfs/dbraw/zinc/48/26/08/950482608.db2.gz ZEWHTQCXTJAMGZ-HNNXBMFYSA-N -1 0 347.459 3.556 20 0 EHADRM CCc1cc(Br)ccc1NCc1cc(C(=O)[O-])c(C)[nH]1 ZINC000380125191 971678119 /nfs/dbraw/zinc/67/81/19/971678119.db2.gz RPWUIZOEWORTMB-UHFFFAOYSA-N -1 0 337.217 3.958 20 0 EHADRM CC[C@H](CNC(=O)N(Cc1ccccc1)Cc1ccccc1)C(=O)[O-] ZINC000309571261 950680326 /nfs/dbraw/zinc/68/03/26/950680326.db2.gz LRGFVPYACSKOJZ-GOSISDBHSA-N -1 0 340.423 3.509 20 0 EHADRM CC(C)(C)c1cccc(OC(=O)c2ccc(-c3nnn[n-]3)o2)c1Cl ZINC001573884014 950777962 /nfs/dbraw/zinc/77/79/62/950777962.db2.gz CGNPLERFOJBGJE-UHFFFAOYSA-N -1 0 346.774 3.630 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)/C=C\c2cc(Cl)cc(Cl)c2)C1 ZINC000315669675 950852365 /nfs/dbraw/zinc/85/23/65/950852365.db2.gz WDWPYBWVWQTFHH-VSQXVHSFSA-N -1 0 342.222 3.720 20 0 EHADRM CC(C)c1csc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])n1 ZINC000315906612 950860250 /nfs/dbraw/zinc/86/02/50/950860250.db2.gz MRGQZMPFZFUZJV-LLVKDONJSA-N -1 0 325.434 3.518 20 0 EHADRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])c(Br)cc2C)co1 ZINC000380432751 971698373 /nfs/dbraw/zinc/69/83/73/971698373.db2.gz ANPGNMZKIRFMAJ-UHFFFAOYSA-N -1 0 338.157 3.609 20 0 EHADRM O=C([O-])c1cccnc1NC(=O)CCc1ccc(Cl)cc1Cl ZINC000316347370 950877394 /nfs/dbraw/zinc/87/73/94/950877394.db2.gz QWMWJDFLBMNQIK-UHFFFAOYSA-N -1 0 339.178 3.658 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)CSCc2cccs2)c1 ZINC000316986978 950897435 /nfs/dbraw/zinc/89/74/35/950897435.db2.gz MJRJNBJJKSQQMJ-UHFFFAOYSA-N -1 0 335.450 3.637 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)CCc2ccc(C)c(Cl)c2)C1 ZINC000320951436 951006488 /nfs/dbraw/zinc/00/64/88/951006488.db2.gz URZVPYCIUDNRHS-GOSISDBHSA-N -1 0 337.847 3.684 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2csc3c2CC[C@@H](C)C3)C1 ZINC000320952612 951008195 /nfs/dbraw/zinc/00/81/95/951008195.db2.gz UUSZTJQYKUNKBR-KZULUSFZSA-N -1 0 335.469 3.590 20 0 EHADRM Cc1ccc(C)c(SCC(=O)NC2(CC(=O)[O-])CCCCC2)c1 ZINC000321885571 951023093 /nfs/dbraw/zinc/02/30/93/951023093.db2.gz SVTIIZFTJYZVCJ-UHFFFAOYSA-N -1 0 335.469 3.689 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NC2(CC(=O)[O-])CCCCC2)o1 ZINC000325553691 951087307 /nfs/dbraw/zinc/08/73/07/951087307.db2.gz LVRUOHWRHXNNCD-HIFRSBDPSA-N -1 0 333.428 3.629 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000325995718 951095924 /nfs/dbraw/zinc/09/59/24/951095924.db2.gz LOMJJISVUPQHBO-ZENOOKHLSA-N -1 0 347.411 3.594 20 0 EHADRM CC[C@@H](NC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)C1CCCCC1 ZINC000327486073 951115291 /nfs/dbraw/zinc/11/52/91/951115291.db2.gz INQQRJPEBDTJCL-QZTJIDSGSA-N -1 0 344.455 3.739 20 0 EHADRM C[C@@H](NC(=O)Cc1ccccc1C(=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000347362311 951133263 /nfs/dbraw/zinc/13/32/63/951133263.db2.gz IZFPAINKBRREGV-LLVKDONJSA-N -1 0 346.452 3.559 20 0 EHADRM Cc1ccc(NC(=O)Cc2ccccc2C(=O)[O-])cc1OCC(F)F ZINC000347382863 951133783 /nfs/dbraw/zinc/13/37/83/951133783.db2.gz WSUIVRDQBQBPHV-UHFFFAOYSA-N -1 0 349.333 3.518 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)Nc1nsc2ccccc21)C(=O)[O-] ZINC001602861291 971719881 /nfs/dbraw/zinc/71/98/81/971719881.db2.gz QERKHKIEIWZVAY-NSHDSACASA-N -1 0 335.429 3.697 20 0 EHADRM CCOc1cc(Cl)ccc1NC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC001592184756 951306212 /nfs/dbraw/zinc/30/62/12/951306212.db2.gz QJZRPSOEQYCYSR-NSHDSACASA-N -1 0 342.823 3.607 20 0 EHADRM CCOc1cc(F)ccc1NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001592211018 951310854 /nfs/dbraw/zinc/31/08/54/951310854.db2.gz FKMSBNQHBSOGAF-CYBMUJFWSA-N -1 0 340.395 3.625 20 0 EHADRM O=C([O-])CCCC(=O)OCc1c(OC(F)F)ccc2ccccc21 ZINC001595031475 951371223 /nfs/dbraw/zinc/37/12/23/951371223.db2.gz NSCZYTKHWQKTLD-UHFFFAOYSA-N -1 0 338.306 3.739 20 0 EHADRM O=C([O-])CCCCC(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001595031966 951377182 /nfs/dbraw/zinc/37/71/82/951377182.db2.gz MSCSKKNUGSYMCB-CYBMUJFWSA-N -1 0 343.345 3.666 20 0 EHADRM C[C@@H](CN(C)C(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000391991377 951411754 /nfs/dbraw/zinc/41/17/54/951411754.db2.gz CFOGWNOCYZLWOZ-ZDUSSCGKSA-N -1 0 328.368 3.663 20 0 EHADRM Cc1ccc(CCC2CCN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)cc1 ZINC000393193716 951429741 /nfs/dbraw/zinc/42/97/41/951429741.db2.gz DKSFPIWVIKMEEI-RBUKOAKNSA-N -1 0 343.467 3.667 20 0 EHADRM O=C([O-])CCCNC(=O)c1csc(-c2cccc3ccccc32)n1 ZINC001595052622 951473862 /nfs/dbraw/zinc/47/38/62/951473862.db2.gz NFRASJNVJTUSOL-UHFFFAOYSA-N -1 0 340.404 3.558 20 0 EHADRM Cc1oc(Br)cc1C(=O)Nc1c(C)cccc1C(=O)[O-] ZINC000396462537 951477669 /nfs/dbraw/zinc/47/76/69/951477669.db2.gz JYVVKZPNMUNZAH-UHFFFAOYSA-N -1 0 338.157 3.609 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1cc(Cl)ccc1Cl ZINC000397090416 951520731 /nfs/dbraw/zinc/52/07/31/951520731.db2.gz VGZPBRIRITXMED-DTWKUNHWSA-N -1 0 331.199 3.710 20 0 EHADRM O=C([O-])CN1CC[C@H](Sc2ccc(C3CCCCC3)cc2)C1=O ZINC001595081593 951685321 /nfs/dbraw/zinc/68/53/21/951685321.db2.gz KHXVJPJGPPTKMI-INIZCTEOSA-N -1 0 333.453 3.512 20 0 EHADRM O=C([O-])CS[C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC001595124974 952005690 /nfs/dbraw/zinc/00/56/90/952005690.db2.gz BWLWPXGEYIZDGK-HNNXBMFYSA-N -1 0 326.377 3.644 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)c2c(Cl)cc(Cl)cc2Cl)C1 ZINC001595164576 952202596 /nfs/dbraw/zinc/20/25/96/952202596.db2.gz CITKBPJCTGAVAO-SSDOTTSWSA-N -1 0 336.602 3.584 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2cc3cccc(Cl)c3s2)C[C@H]1C1CC1 ZINC001595186819 952270946 /nfs/dbraw/zinc/27/09/46/952270946.db2.gz DNOOPNBLJAJCJT-NWDGAFQWSA-N -1 0 349.839 3.738 20 0 EHADRM O=C([O-])c1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)[nH]n1 ZINC001595207743 952341975 /nfs/dbraw/zinc/34/19/75/952341975.db2.gz FENJTYHQQCLQHX-UHFFFAOYSA-N -1 0 347.802 3.602 20 0 EHADRM CC(C)(CCCc1ccccc1)CNC(=O)NCC1(C(=O)[O-])CCC1 ZINC001602938415 971903840 /nfs/dbraw/zinc/90/38/40/971903840.db2.gz BAUHQKKGOXLMLT-UHFFFAOYSA-N -1 0 346.471 3.590 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)N(C)[C@@H](C)c2ccccc2)c1 ZINC000383842733 971899300 /nfs/dbraw/zinc/89/93/00/971899300.db2.gz OSXDGLVMRZPVBN-LBPRGKRZSA-N -1 0 328.368 3.618 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC001602934072 971901790 /nfs/dbraw/zinc/90/17/90/971901790.db2.gz XGHOSTUVRBCDQI-DGCLKSJQSA-N -1 0 341.810 3.732 20 0 EHADRM CC(C)(CCNC(=O)NCC1(c2ccccc2)CCCCC1)C(=O)[O-] ZINC001602940515 971907883 /nfs/dbraw/zinc/90/78/83/971907883.db2.gz AFXBLZAWKOKOSQ-UHFFFAOYSA-N -1 0 346.471 3.689 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C2(c3cccc(F)c3)CCCCC2)C1 ZINC001589267838 953378791 /nfs/dbraw/zinc/37/87/91/953378791.db2.gz DWILBUOMXDGDNZ-HUUCEWRRSA-N -1 0 347.430 3.597 20 0 EHADRM CCSc1ccc(CC(=O)NC[C@H](CC(=O)[O-])CC(C)C)cc1 ZINC001593597354 953380950 /nfs/dbraw/zinc/38/09/50/953380950.db2.gz KKKRVRLFDPMWRJ-HNNXBMFYSA-N -1 0 337.485 3.594 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NCCCCCC(=O)[O-])o1 ZINC000414610711 953397844 /nfs/dbraw/zinc/39/78/44/953397844.db2.gz NNQWXLWPDJGUBE-HIFRSBDPSA-N -1 0 336.432 3.716 20 0 EHADRM Cc1cccc(-c2ccc(CNC(=O)N(C)CCCC(=O)[O-])cc2)c1 ZINC000414619017 953400499 /nfs/dbraw/zinc/40/04/99/953400499.db2.gz CUHJMIFPCORXES-UHFFFAOYSA-N -1 0 340.423 3.668 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)/C=C/c2ccc(F)c3ccccc23)C1 ZINC001589269582 953405494 /nfs/dbraw/zinc/40/54/94/953405494.db2.gz WYZQBXYXGMIXRX-GMTGPXDGSA-N -1 0 341.382 3.561 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)NCCCCCC(=O)[O-])CC2 ZINC000414638697 953406031 /nfs/dbraw/zinc/40/60/31/953406031.db2.gz HLXMJBXKRUIHMV-QGZVFWFLSA-N -1 0 332.444 3.742 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc(COC(C)(C)C)cc2)C1 ZINC001589271610 953411394 /nfs/dbraw/zinc/41/13/94/953411394.db2.gz JEGAIFMENGJGAO-HIFRSBDPSA-N -1 0 348.443 3.576 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)CC2 ZINC001589274545 953450472 /nfs/dbraw/zinc/45/04/72/953450472.db2.gz UHEHXBKDGUTRJL-RPVQJOFSSA-N -1 0 344.455 3.550 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)NC[C@H]2CCCCS2)c1Cl ZINC001594752038 953453776 /nfs/dbraw/zinc/45/37/76/953453776.db2.gz TXEOXOZJWYTUTC-MRVPVSSYSA-N -1 0 346.811 3.585 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[C@@H](C)Oc1cc(C(C)C)ccc1C)C(=O)[O-] ZINC001593610242 953466526 /nfs/dbraw/zinc/46/65/26/953466526.db2.gz GJZAUDFFXKYSDD-QEORTHHSSA-N -1 0 335.444 3.501 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000431645685 953502528 /nfs/dbraw/zinc/50/25/28/953502528.db2.gz RDLMUROVRAENKE-SECBINFHSA-N -1 0 339.800 3.677 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000449006231 953509235 /nfs/dbraw/zinc/50/92/35/953509235.db2.gz YDCMWKQWKZWVDE-XIRDDKMYSA-N -1 0 347.455 3.537 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)c(F)c1 ZINC000479545669 953525850 /nfs/dbraw/zinc/52/58/50/953525850.db2.gz WJNYQDWOJBQWBF-NWDGAFQWSA-N -1 0 335.281 3.544 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)C[C@@H]1C(=O)[O-] ZINC000515060815 953538813 /nfs/dbraw/zinc/53/88/13/953538813.db2.gz OPEXNVNZJQHRTG-RISCZKNCSA-N -1 0 347.411 3.737 20 0 EHADRM CC[C@H](OC(=O)C1(C(=O)[O-])CCSCC1)c1ccc(C)c(F)c1 ZINC001593625585 953548076 /nfs/dbraw/zinc/54/80/76/953548076.db2.gz IJNBTBNKEUSCGD-AWEZNQCLSA-N -1 0 340.416 3.726 20 0 EHADRM CCCn1ccc2cc(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc21 ZINC000557784250 953586016 /nfs/dbraw/zinc/58/60/16/953586016.db2.gz IMKDRBPRWVTPMM-HNNXBMFYSA-N -1 0 331.416 3.672 20 0 EHADRM COc1c(Cl)cc(NC(=O)C2(CC(=O)[O-])CCC2)cc1Cl ZINC000564989351 953610988 /nfs/dbraw/zinc/61/09/88/953610988.db2.gz XUFHWYZWHFZQHK-UHFFFAOYSA-N -1 0 332.183 3.586 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000565700199 953616068 /nfs/dbraw/zinc/61/60/68/953616068.db2.gz QHJKHEFCQQUOCZ-GOSISDBHSA-N -1 0 331.456 3.531 20 0 EHADRM C[C@@H]1CCN(C(=O)CCCc2ccc3ccccc3c2)C[C@@H]1C(=O)[O-] ZINC000566235793 953624051 /nfs/dbraw/zinc/62/40/51/953624051.db2.gz SYLBZKSCAYIVQO-BEFAXECRSA-N -1 0 339.435 3.732 20 0 EHADRM O=C([O-])CC1(C(=O)NCC2(c3ccc(Cl)cc3)CCC2)CCC1 ZINC000566741476 953627373 /nfs/dbraw/zinc/62/73/73/953627373.db2.gz ZLNOVWXKBLHNFC-UHFFFAOYSA-N -1 0 335.831 3.523 20 0 EHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001593642464 953660479 /nfs/dbraw/zinc/66/04/79/953660479.db2.gz OCWUBBLGAJPPFT-RYQLBKOJSA-N -1 0 329.440 3.598 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@@H]2CCc3cc(F)ccc32)c1 ZINC000572379638 953669533 /nfs/dbraw/zinc/66/95/33/953669533.db2.gz MEOYLMYNGMCDPC-QGZVFWFLSA-N -1 0 327.355 3.511 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N3CC[C@H](C)[C@@H](C(=O)[O-])C3)o2)cc1 ZINC000577221486 953693685 /nfs/dbraw/zinc/69/36/85/953693685.db2.gz RBCRGJMGOJKMOQ-BBRMVZONSA-N -1 0 341.407 3.692 20 0 EHADRM CC(C)C(=O)c1ccc(NC(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC001602961157 971950944 /nfs/dbraw/zinc/95/09/44/971950944.db2.gz QPKCHJLHSIMMJG-UHFFFAOYSA-N -1 0 346.427 3.634 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1csnc1-c1ccccc1 ZINC001589304031 953721798 /nfs/dbraw/zinc/72/17/98/953721798.db2.gz LBEGUYYACYDLNT-AAEUAGOBSA-N -1 0 345.424 3.527 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1cccc2c1OC(C)(C)C=C2 ZINC001589305393 953733485 /nfs/dbraw/zinc/73/34/85/953733485.db2.gz POVLSUHUAQFUME-TZMCWYRMSA-N -1 0 344.411 3.588 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Nc2cc(-c3cccs3)[nH]n2)c(F)c1 ZINC001594800553 953735310 /nfs/dbraw/zinc/73/53/10/953735310.db2.gz WKAWFUGYJACCJJ-UHFFFAOYSA-N -1 0 346.343 3.620 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC001594803668 953760727 /nfs/dbraw/zinc/76/07/27/953760727.db2.gz BWBIYTBTKDORPE-CYBMUJFWSA-N -1 0 340.713 3.566 20 0 EHADRM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)C1(C(=O)[O-])CCCCCC1 ZINC001589310541 953788275 /nfs/dbraw/zinc/78/82/75/953788275.db2.gz QXMZFWPFMAFLFS-VXGBXAGGSA-N -1 0 335.366 3.601 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1cccc(C(F)F)c1)c1ccc(F)cc1 ZINC001594809287 953801939 /nfs/dbraw/zinc/80/19/39/953801939.db2.gz SADJJRPKYAFLAH-ZDUSSCGKSA-N -1 0 338.285 3.711 20 0 EHADRM C[C@@H]1CCC[C@H](C)N(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)C1 ZINC001589314394 953818794 /nfs/dbraw/zinc/81/87/94/953818794.db2.gz CEKIMMPUZODPNG-OQUILHJVSA-N -1 0 330.428 3.520 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC001594811797 953835116 /nfs/dbraw/zinc/83/51/16/953835116.db2.gz LSTSRMNUTKLCPU-AULYBMBSSA-N -1 0 345.786 3.501 20 0 EHADRM CCCn1ccc2ccc(NC(=O)N3CC[C@@H](C(=O)[O-])[C@H](C)C3)cc21 ZINC000630563301 953861684 /nfs/dbraw/zinc/86/16/84/953861684.db2.gz WOVKQMVVONVJHQ-CZUORRHYSA-N -1 0 343.427 3.626 20 0 EHADRM C[C@H](C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1c(Cl)cccc1Cl ZINC000643434372 953910517 /nfs/dbraw/zinc/91/05/17/953910517.db2.gz TZWGSRNCVZTNCK-VWYCJHECSA-N -1 0 344.238 3.666 20 0 EHADRM C[C@@H]1CCCN(C(=O)CCc2ccc(C(C)(C)C)cc2)[C@@H]1C(=O)[O-] ZINC001589326064 953911535 /nfs/dbraw/zinc/91/15/35/953911535.db2.gz PKBHMFKRCGIEMU-KDOFPFPSSA-N -1 0 331.456 3.628 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)Nc2ccc(OC3CCCC3)cc2)CC1 ZINC000647692182 953963695 /nfs/dbraw/zinc/96/36/95/953963695.db2.gz BQWIWSAWEYLSAQ-UHFFFAOYSA-N -1 0 346.427 3.727 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)Nc2cc(-c3ccccc3)ns2)CC1 ZINC000647697112 953966420 /nfs/dbraw/zinc/96/64/20/953966420.db2.gz RCWXXAOFLXUDOI-UHFFFAOYSA-N -1 0 345.424 3.529 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC001602970895 971979902 /nfs/dbraw/zinc/97/99/02/971979902.db2.gz XZYVTNBSEPGTIJ-SNVBAGLBSA-N -1 0 328.340 3.529 20 0 EHADRM CC(C)C[C@H](CNC(=O)CCCc1ccc(F)c(F)c1)CC(=O)[O-] ZINC000652088250 954046438 /nfs/dbraw/zinc/04/64/38/954046438.db2.gz HHBVJOZYPALKSK-AWEZNQCLSA-N -1 0 341.398 3.541 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC000653318625 954143306 /nfs/dbraw/zinc/14/33/06/954143306.db2.gz RUNMBBQJPWNZGB-SJKOYZFVSA-N -1 0 337.375 3.593 20 0 EHADRM CCCCc1ccc(C(=O)CCC(=O)NC2(CC(=O)[O-])CCC2)cc1 ZINC000653322462 954146790 /nfs/dbraw/zinc/14/67/90/954146790.db2.gz VVXDYOFRMYXAQP-UHFFFAOYSA-N -1 0 345.439 3.506 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000653333243 954164335 /nfs/dbraw/zinc/16/43/35/954164335.db2.gz MVPHPQQQPYHHSP-KSZLIROESA-N -1 0 345.439 3.544 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)c2cc3c(s2)CCCC3)c2ccccc21 ZINC000653334111 954165464 /nfs/dbraw/zinc/16/54/64/954165464.db2.gz XTLDRLBUVIBVCQ-GJZGRUSLSA-N -1 0 341.432 3.670 20 0 EHADRM CSc1ccc(NC(=O)NC[C@H](C(=O)[O-])C(C)C)cc1Cl ZINC000653539537 954188157 /nfs/dbraw/zinc/18/81/57/954188157.db2.gz CYNRVZFTKFHSMV-JTQLQIEISA-N -1 0 330.837 3.540 20 0 EHADRM Cc1ccc(-c2cccnc2)cc1NC(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000653544815 954192753 /nfs/dbraw/zinc/19/27/53/954192753.db2.gz MJZHKBSGLTVGBB-INIZCTEOSA-N -1 0 341.411 3.535 20 0 EHADRM Cc1ccc(-c2ncc(C(=O)NC[C@H](C(=O)[O-])C(C)C)s2)c(C)c1 ZINC000655567988 954205369 /nfs/dbraw/zinc/20/53/69/954205369.db2.gz BXNHFKFESAKQRI-AWEZNQCLSA-N -1 0 346.452 3.514 20 0 EHADRM O=C([O-])C1(C(=O)N[C@@H]2CCCOc3ccc(F)cc32)CCCCCC1 ZINC001594854681 954216368 /nfs/dbraw/zinc/21/63/68/954216368.db2.gz RFZYSJXXXNKHTC-OAHLLOKOSA-N -1 0 349.402 3.581 20 0 EHADRM Cc1ccc2c(CC(=O)N[C@@H](C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)coc2c1 ZINC000655583359 954224840 /nfs/dbraw/zinc/22/48/40/954224840.db2.gz GQUSLZQWZZDSLH-VBNZEHGJSA-N -1 0 343.423 3.535 20 0 EHADRM Cc1cccc(C2(C(=O)N[C@H](C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)CCC2)c1 ZINC000655586311 954228346 /nfs/dbraw/zinc/22/83/46/954228346.db2.gz QMCKNGSJGIVACJ-HYVNUMGLSA-N -1 0 343.467 3.668 20 0 EHADRM CC(C)[C@H](CNC(=O)N[C@H](C)c1cccc2ccccc21)C(=O)[O-] ZINC000655859401 954241996 /nfs/dbraw/zinc/24/19/96/954241996.db2.gz KDDZDEPHEIKILD-DYVFJYSZSA-N -1 0 328.412 3.557 20 0 EHADRM CC(C)[C@H](CNC(=O)N1CCC[C@H]1c1ccccc1Cl)C(=O)[O-] ZINC000655890613 954271323 /nfs/dbraw/zinc/27/13/23/954271323.db2.gz NKHWOZNHKYMQDC-ZFWWWQNUSA-N -1 0 338.835 3.543 20 0 EHADRM Cc1cccc(C(C)(C)NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000655904179 954286599 /nfs/dbraw/zinc/28/65/99/954286599.db2.gz IEVZENYKQWXKBL-CWRNSKLLSA-N -1 0 346.471 3.665 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2ccccc2F)CC2CC2)cc1 ZINC000659200933 954313285 /nfs/dbraw/zinc/31/32/85/954313285.db2.gz HHOWPGKLCTVFKA-UHFFFAOYSA-N -1 0 327.355 3.576 20 0 EHADRM O=C([O-])C1(C(=O)Nc2csc(-c3ccncc3)n2)CCCCCC1 ZINC001594871868 954363239 /nfs/dbraw/zinc/36/32/39/954363239.db2.gz KGVSVDUMGZOYII-UHFFFAOYSA-N -1 0 345.424 3.569 20 0 EHADRM Cc1ccc([C@@H]2C[C@H]2C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1C ZINC000659766593 954366113 /nfs/dbraw/zinc/36/61/13/954366113.db2.gz KFVKRGKCCNLJHA-XEIOYGOASA-N -1 0 343.467 3.659 20 0 EHADRM CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001593755391 954447337 /nfs/dbraw/zinc/44/73/37/954447337.db2.gz JBMXMPHFJONZLP-HUUCEWRRSA-N -1 0 347.798 3.669 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1nc(-c2cccc(F)c2)cs1 ZINC000663074376 954448834 /nfs/dbraw/zinc/44/88/34/954448834.db2.gz APYREUGMJBOXHS-GFCCVEGCSA-N -1 0 336.388 3.635 20 0 EHADRM CC(C)[C@H](CNc1nc2cccc(OC(F)F)c2s1)C(=O)[O-] ZINC001602990931 972014929 /nfs/dbraw/zinc/01/49/29/972014929.db2.gz ANEOCRISRFVDJG-QMMMGPOBSA-N -1 0 330.356 3.666 20 0 EHADRM Cc1nc(-c2ccc([C@H](C)NC(=O)C3(C(=O)[O-])CCC3)cc2)cs1 ZINC000663099865 954485034 /nfs/dbraw/zinc/48/50/34/954485034.db2.gz IUVDTUFSPIYRJX-NSHDSACASA-N -1 0 344.436 3.551 20 0 EHADRM C[C@@H]1Cc2c(C(=O)[O-])c(NC(=O)C3(CCF)CC3)sc2[C@@H](C)O1 ZINC001589410340 954509674 /nfs/dbraw/zinc/50/96/74/954509674.db2.gz BZJJGZZXLGJNOQ-RKDXNWHRSA-N -1 0 341.404 3.547 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)c1cc(C2CC2)nc2ccccc21 ZINC000663136459 954524801 /nfs/dbraw/zinc/52/48/01/954524801.db2.gz HALHAPNOWFHXGS-UHFFFAOYSA-N -1 0 340.423 3.685 20 0 EHADRM Cc1cc(C(=O)N(CC(=O)[O-])CC2CC2)c(C)n1C1CCCCC1 ZINC000675973383 954581096 /nfs/dbraw/zinc/58/10/96/954581096.db2.gz GKFGAUJPHCCUPW-UHFFFAOYSA-N -1 0 332.444 3.547 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000679397078 954594359 /nfs/dbraw/zinc/59/43/59/954594359.db2.gz QOLJQGWPPGILNB-NWDGAFQWSA-N -1 0 341.860 3.676 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3F)cc2)C1 ZINC001594925700 954815296 /nfs/dbraw/zinc/81/52/96/954815296.db2.gz HLTQNKVXYXVJJT-LBPRGKRZSA-N -1 0 344.342 3.556 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)Nc2ccccc2Oc2cccc(F)c2)C1 ZINC001594926106 954819396 /nfs/dbraw/zinc/81/93/96/954819396.db2.gz ZQZLURZRGBOBAA-LBPRGKRZSA-N -1 0 344.342 3.556 20 0 EHADRM O=C([O-])[C@H]1CCN(Cc2cnn(Cc3ccccc3)c2)c2ccccc21 ZINC001594933638 954839035 /nfs/dbraw/zinc/83/90/35/954839035.db2.gz AIRFCIFHEBEXDQ-IBGZPJMESA-N -1 0 347.418 3.510 20 0 EHADRM O=C([O-])[C@H]1CCN(C[C@H]2CCN(c3ccccc3)C2)c2ccccc21 ZINC001594933627 954839545 /nfs/dbraw/zinc/83/95/45/954839545.db2.gz YXUDIDRIXXAHLB-LPHOPBHVSA-N -1 0 336.435 3.591 20 0 EHADRM O=C([O-])[C@H]1CCN(Cc2cnc([C@H]3CCCO3)s2)c2ccccc21 ZINC001594934028 954846213 /nfs/dbraw/zinc/84/62/13/954846213.db2.gz QUCXCTSBHGSPPV-GOEBONIOSA-N -1 0 344.436 3.573 20 0 EHADRM CC[C@H](CC(=O)Nc1nc2ccccn2c1C(=O)[O-])c1ccccc1 ZINC001589464294 954886999 /nfs/dbraw/zinc/88/69/99/954886999.db2.gz QRRSDBQNADKFNP-CYBMUJFWSA-N -1 0 337.379 3.555 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)N1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC001589464432 954889426 /nfs/dbraw/zinc/88/94/26/954889426.db2.gz PTZDFSFRMSNMRM-AZKPOVRMSA-N -1 0 345.439 3.731 20 0 EHADRM CC(C)C[C@H](CNC(=O)NC(C)(C)c1ccc(Cl)cc1)C(=O)[O-] ZINC001603008805 972057418 /nfs/dbraw/zinc/05/74/18/972057418.db2.gz IBXWHKQOXALIIX-GFCCVEGCSA-N -1 0 340.851 3.621 20 0 EHADRM CCC(CC)(CC)CNC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001589484002 954989975 /nfs/dbraw/zinc/98/99/75/954989975.db2.gz QCLSJRNTXHKTGH-GOSISDBHSA-N -1 0 334.460 3.545 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC001589512940 955053329 /nfs/dbraw/zinc/05/33/29/955053329.db2.gz UYIWUZAYIRIIDS-OAHLLOKOSA-N -1 0 335.444 3.731 20 0 EHADRM CC(C)CC[C@H](NC(=O)NCCC(=O)[O-])c1ccc(Cl)cc1 ZINC001603018088 972074645 /nfs/dbraw/zinc/07/46/45/972074645.db2.gz IBLSHXRFLHDDEO-AWEZNQCLSA-N -1 0 326.824 3.591 20 0 EHADRM CC[C@H](CNC(=O)Nc1cccc(C(=O)[O-])c1)Oc1cccc(F)c1 ZINC001589544791 955192719 /nfs/dbraw/zinc/19/27/19/955192719.db2.gz AGEHXOJJWRURST-OAHLLOKOSA-N -1 0 346.358 3.503 20 0 EHADRM Cc1cccc(Oc2ccccc2CNC(=O)CCCC(=O)[O-])c1 ZINC000753975515 955262800 /nfs/dbraw/zinc/26/28/00/955262800.db2.gz DWRCFZIRNINCRU-UHFFFAOYSA-N -1 0 327.380 3.658 20 0 EHADRM Cc1ccc2c(CC(=O)Nc3cccc(CCC(=O)[O-])c3)c[nH]c2c1 ZINC000786620015 955344956 /nfs/dbraw/zinc/34/49/56/955344956.db2.gz NPLHNYUDEGNZTC-UHFFFAOYSA-N -1 0 336.391 3.675 20 0 EHADRM CC[C@@H](NC(=O)Nc1cc2oc3ccccc3c2cc1OC)C(=O)[O-] ZINC000788317410 955345178 /nfs/dbraw/zinc/34/51/78/955345178.db2.gz DZXZTFJDHCOPIM-GFCCVEGCSA-N -1 0 342.351 3.579 20 0 EHADRM Cc1oc(C(C)(C)C)cc1C(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001594506304 955361010 /nfs/dbraw/zinc/36/10/10/955361010.db2.gz KEPVGKFKPXFVIA-OAHLLOKOSA-N -1 0 333.359 3.580 20 0 EHADRM CC(C)COc1ccc(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001603030821 972091430 /nfs/dbraw/zinc/09/14/30/972091430.db2.gz RPWFXTAUWZBFLO-MRXNPFEDSA-N -1 0 335.444 3.731 20 0 EHADRM Cc1sc(NC(=O)N[C@H](C(=O)[O-])c2ccccc2)nc1C(C)C ZINC001594512607 955402385 /nfs/dbraw/zinc/40/23/85/955402385.db2.gz YXSDKKIBPDCOOA-ZDUSSCGKSA-N -1 0 333.413 3.522 20 0 EHADRM CC(C)Oc1ccc(CC[C@@H](C)NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc1 ZINC001589016219 955439597 /nfs/dbraw/zinc/43/95/97/955439597.db2.gz BYNWJYSOVSAGEO-PBHICJAKSA-N -1 0 349.471 3.658 20 0 EHADRM C[C@H](C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1)c1c(Cl)cccc1Cl ZINC000823341008 955528832 /nfs/dbraw/zinc/52/88/32/955528832.db2.gz IQUFVSJKILUKFG-OUAUKWLOSA-N -1 0 344.238 3.666 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCC[C@]1(C)CC(C)C)CC(=O)[O-] ZINC001603042286 972105308 /nfs/dbraw/zinc/10/53/08/972105308.db2.gz FLBIQYXXQXFUPT-MAUKXSAKSA-N -1 0 326.481 3.734 20 0 EHADRM O=C([O-])CCCC(=O)Nc1ccc(N2CCc3sccc3C2)cc1 ZINC000844253096 955671494 /nfs/dbraw/zinc/67/14/94/955671494.db2.gz PFNCEMORJHGZSE-UHFFFAOYSA-N -1 0 344.436 3.504 20 0 EHADRM CC(C)Cc1ccccc1COC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001603054154 972119640 /nfs/dbraw/zinc/11/96/40/972119640.db2.gz MXGIZKZRUVMTIG-UHFFFAOYSA-N -1 0 342.391 3.706 20 0 EHADRM Cn1ccc2c1cccc2NC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001594552889 955737876 /nfs/dbraw/zinc/73/78/76/955737876.db2.gz MIOFLYNBCGPNDH-NVXWUHKLSA-N -1 0 349.390 3.613 20 0 EHADRM CC(C)N(C)c1ccc(CN2CC[C@H](C(=O)[O-])c3ccccc32)cn1 ZINC001603059522 972126321 /nfs/dbraw/zinc/12/63/21/972126321.db2.gz IWJUKCYGRLVIQP-KRWDZBQOSA-N -1 0 339.439 3.505 20 0 EHADRM CC(C)N(C)c1ccc(NC(=O)c2coc(/C=C/C(=O)[O-])c2)cc1F ZINC001603059772 972128436 /nfs/dbraw/zinc/12/84/36/972128436.db2.gz ZVCZWKQPOOWIJP-FNORWQNLSA-N -1 0 346.358 3.613 20 0 EHADRM Cn1nc(C(=O)[O-])cc1CN(Cc1ccccc1Cl)C1CCCC1 ZINC001594572022 955898889 /nfs/dbraw/zinc/89/88/89/955898889.db2.gz SEZUAVUNYRNTKE-UHFFFAOYSA-N -1 0 347.846 3.717 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC000864102440 955932976 /nfs/dbraw/zinc/93/29/76/955932976.db2.gz AUXGPMRFEQKRPS-SOGBHIHOSA-N -1 0 325.364 3.663 20 0 EHADRM C[C@@H](NC(=O)[C@]1(C(=O)[O-])CC1(C)C)c1ccc(F)c2ccccc21 ZINC001589090817 955936111 /nfs/dbraw/zinc/93/61/11/955936111.db2.gz ZGDYRPMPZMWMJP-WYRIXSBYSA-N -1 0 329.371 3.657 20 0 EHADRM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000864157131 955972095 /nfs/dbraw/zinc/97/20/95/955972095.db2.gz ILHNHDUPTUFBDW-SOGBHIHOSA-N -1 0 343.379 3.609 20 0 EHADRM C[C@](NC(=O)Nc1cccc(CCC(=O)[O-])c1)(C1CC1)C(F)(F)F ZINC001589108455 956044611 /nfs/dbraw/zinc/04/46/11/956044611.db2.gz KRFXOKHBYDGEAQ-HNNXBMFYSA-N -1 0 344.333 3.556 20 0 EHADRM C[C@](NC(=O)c1cc2cc(Cl)sc2[nH]1)(C(=O)[O-])c1ccccc1 ZINC001589115293 956090490 /nfs/dbraw/zinc/09/04/90/956090490.db2.gz QQWINCCJZZXARG-MRXNPFEDSA-N -1 0 348.811 3.613 20 0 EHADRM CCCCOc1ccc(NC(=O)N([C@H](C)C(=O)[O-])C2CC2)c(C)c1 ZINC000900332063 956295157 /nfs/dbraw/zinc/29/51/57/956295157.db2.gz VACJLDFKRRJMTC-CYBMUJFWSA-N -1 0 334.416 3.643 20 0 EHADRM Cc1ccc(Oc2ccc(C(=O)NCCCCCC(=O)[O-])cc2)nc1 ZINC000901439221 956310174 /nfs/dbraw/zinc/31/01/74/956310174.db2.gz QHGSHWIRUWBMNR-UHFFFAOYSA-N -1 0 342.395 3.557 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)CCc2ccc(F)c3ccccc23)C1 ZINC000901454845 956315891 /nfs/dbraw/zinc/31/58/91/956315891.db2.gz XRHQLPJPFZHCSJ-AWEZNQCLSA-N -1 0 343.398 3.625 20 0 EHADRM Cc1nc2ccccc2c(C)c1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000901571970 956343931 /nfs/dbraw/zinc/34/39/31/956343931.db2.gz BQDRWJXRRPNTDI-HNNXBMFYSA-N -1 0 340.423 3.569 20 0 EHADRM CO[C@@H]1CCC[C@@H](CC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)C1 ZINC001593949729 956365160 /nfs/dbraw/zinc/36/51/60/956365160.db2.gz LQAQODYCYYOWEW-NXEZZACHSA-N -1 0 343.782 3.711 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000901652730 956404824 /nfs/dbraw/zinc/40/48/24/956404824.db2.gz WAOZKXFRCUCQER-DTWKUNHWSA-N -1 0 349.736 3.684 20 0 EHADRM C[C@H](Sc1nn2cc(-c3ccc(Cl)cc3)nc2s1)C(=O)[O-] ZINC001589172203 956470863 /nfs/dbraw/zinc/47/08/63/956470863.db2.gz AWWSJAFMMAEJRZ-ZETCQYMHSA-N -1 0 339.829 3.676 20 0 EHADRM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001589174528 956480888 /nfs/dbraw/zinc/48/08/88/956480888.db2.gz LBKWRUAGRJUGLN-KKZNHRDASA-N -1 0 345.226 3.559 20 0 EHADRM CC(C)n1ncc(C(=O)NCCCCCC(=O)[O-])c1-c1ccccc1 ZINC001603114904 972192703 /nfs/dbraw/zinc/19/27/03/972192703.db2.gz ASSJSLOKIOWYQF-UHFFFAOYSA-N -1 0 343.427 3.506 20 0 EHADRM Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000902018071 956608905 /nfs/dbraw/zinc/60/89/05/956608905.db2.gz SSWFCNBLVUXDBI-RDGPPVDQSA-N -1 0 335.403 3.528 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N[C@@H](c2ccc(F)cc2F)C2CC2)o1 ZINC001594670208 956612886 /nfs/dbraw/zinc/61/28/86/956612886.db2.gz OFEKFFSPICOQGG-ZGRWHYIRSA-N -1 0 347.317 3.537 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)o1 ZINC001594670229 956613813 /nfs/dbraw/zinc/61/38/13/956613813.db2.gz PEGUJOWUJRZSPH-BVPRHBRVSA-N -1 0 339.391 3.519 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)/C=C\Sc2cc(F)ccc2F)c1 ZINC001594670743 956616276 /nfs/dbraw/zinc/61/62/76/956616276.db2.gz UDTIVWVLVAWBNL-SREVYHEPSA-N -1 0 349.358 3.585 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)NC2(Cc3ccccc3)CCCC2)o1 ZINC001594671181 956618987 /nfs/dbraw/zinc/61/89/87/956618987.db2.gz XJNMDNJFCCMSBR-LUAWRHEFSA-N -1 0 339.391 3.663 20 0 EHADRM C[C@@]1(Cc2ccccc2)CCCN1C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC000902033586 956623473 /nfs/dbraw/zinc/62/34/73/956623473.db2.gz GADWMLTWKUPPJQ-IBDYFIJFSA-N -1 0 339.391 3.615 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NCCCc1ccc(Cl)cc1 ZINC001589204523 956653536 /nfs/dbraw/zinc/65/35/36/956653536.db2.gz GBHAABSNONQRQX-UHFFFAOYSA-N -1 0 337.847 3.526 20 0 EHADRM O=C(/C=C/c1nc2ccccc2s1)Nc1sccc1C(=O)[O-] ZINC001594675938 956663326 /nfs/dbraw/zinc/66/33/26/956663326.db2.gz OCVDIQXUFYADHP-AATRIKPKSA-N -1 0 330.390 3.708 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)CCCCCc1ccc(F)cc1 ZINC001594680070 956695061 /nfs/dbraw/zinc/69/50/61/956695061.db2.gz XPRBMLRMRSVLES-UHFFFAOYSA-N -1 0 330.359 3.661 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC001589212840 956708210 /nfs/dbraw/zinc/70/82/10/956708210.db2.gz MWOHDOUTJRFBKE-XMSQKQJNSA-N -1 0 349.430 3.662 20 0 EHADRM O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)[C@@H]2CC23CCCC3)C1 ZINC000902826745 956817489 /nfs/dbraw/zinc/81/74/89/956817489.db2.gz VJLQQSUXNVILOW-ZBFHGGJFSA-N -1 0 327.424 3.637 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2c(cccc2F)s1)c1ccc(F)cc1 ZINC001594715981 956926225 /nfs/dbraw/zinc/92/62/25/956926225.db2.gz IDJAXHJNPBVQMO-HNNXBMFYSA-N -1 0 347.342 3.735 20 0 EHADRM Cc1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(C(=O)[O-])c1 ZINC000013085575 956937767 /nfs/dbraw/zinc/93/77/67/956937767.db2.gz MOCRYQZWGGXVHZ-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2ccccc2-c2ccccc2)cc1 ZINC000013166307 956947072 /nfs/dbraw/zinc/94/70/72/956947072.db2.gz RCOKDUIMXMSDBK-UHFFFAOYSA-N -1 0 331.371 3.982 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2(c3cccc(F)c3)CCCC2)cc1 ZINC000013166875 956948124 /nfs/dbraw/zinc/94/81/24/956948124.db2.gz WDOLYPLJSLNBEQ-UHFFFAOYSA-N -1 0 327.355 3.974 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cccc2ccccc21)c1ccc(F)cc1 ZINC000013176395 956956297 /nfs/dbraw/zinc/95/62/97/956956297.db2.gz WHZUIHCYNFWHDR-GOSISDBHSA-N -1 0 337.350 3.925 20 0 EHADRM CC[C@@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000013176307 956956571 /nfs/dbraw/zinc/95/65/71/956956571.db2.gz ZUYWQWFHTKAQHY-IAGOWNOFSA-N -1 0 329.371 3.652 20 0 EHADRM CCc1sc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)cc1C ZINC000013177650 956959730 /nfs/dbraw/zinc/95/97/30/956959730.db2.gz FBWCESAHPUSYIR-CYBMUJFWSA-N -1 0 335.400 3.704 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2csc(-c3cccs3)n2)c1 ZINC000013259563 956996208 /nfs/dbraw/zinc/99/62/08/956996208.db2.gz PCBMMEMHMIGJLB-UHFFFAOYSA-N -1 0 330.390 3.822 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)c2cc(F)cc(Cl)c2)c2ccccc21 ZINC001594726164 957005760 /nfs/dbraw/zinc/00/57/60/957005760.db2.gz JCMDEOAJYZCKLC-GJZGRUSLSA-N -1 0 333.746 3.522 20 0 EHADRM C[C@@H](C(=O)N1CCCC[C@H]1CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000909496692 957024560 /nfs/dbraw/zinc/02/45/60/957024560.db2.gz IQQKJBWTZQVXLT-RISCZKNCSA-N -1 0 343.345 3.665 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)/C=C/c1cccc(F)c1 ZINC000013390453 957043403 /nfs/dbraw/zinc/04/34/03/957043403.db2.gz SQZOEQCBFNATSZ-MDZDMXLPSA-N -1 0 325.339 3.517 20 0 EHADRM O=C([O-])c1ccc(OCc2cc(=O)oc3cc4c(cc23)CCC4)cc1 ZINC000013412782 957055299 /nfs/dbraw/zinc/05/52/99/957055299.db2.gz IGFKUOFENHXWKH-UHFFFAOYSA-N -1 0 336.343 3.559 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000389730242 972243316 /nfs/dbraw/zinc/24/33/16/972243316.db2.gz JNVWUQDGXJJWPZ-VIFPVBQESA-N -1 0 347.198 3.983 20 0 EHADRM O=C([O-])CCCCCNc1nc(C(F)(F)F)nc2ccccc21 ZINC000032540761 957175629 /nfs/dbraw/zinc/17/56/29/957175629.db2.gz SRSWIQMNKCPSBS-UHFFFAOYSA-N -1 0 327.306 3.706 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)c1ccccc1 ZINC001120569582 957203781 /nfs/dbraw/zinc/20/37/81/957203781.db2.gz CAEZFLNREOWOIX-BBWFWOEESA-N -1 0 344.455 3.526 20 0 EHADRM Cc1cc(Br)ccc1NC(=O)c1cccc(C(=O)[O-])c1 ZINC000035347475 957205469 /nfs/dbraw/zinc/20/54/69/957205469.db2.gz GHKCEPZULOJAND-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM CCC(CC)(CNC(=O)N[C@@H](c1ncccc1C)C(C)(C)C)C(=O)[O-] ZINC001121815693 957210019 /nfs/dbraw/zinc/21/00/19/957210019.db2.gz MIMHSOWGQVTYOF-HNNXBMFYSA-N -1 0 349.475 3.667 20 0 EHADRM Cc1cc(C)c2cc(C(=O)N3CCC(CCC(=O)[O-])CC3)sc2n1 ZINC001123279899 957242917 /nfs/dbraw/zinc/24/29/17/957242917.db2.gz OEXOWEFHAILRRT-UHFFFAOYSA-N -1 0 346.452 3.630 20 0 EHADRM O=C([O-])c1cc(NC(=O)/C=C/c2ccc(Cl)s2)ccc1F ZINC000037402183 957274214 /nfs/dbraw/zinc/27/42/14/957274214.db2.gz FJRBKTFJXUYWDA-ZZXKWVIFSA-N -1 0 325.748 3.891 20 0 EHADRM CCOc1cccc([C@@H](C)NC(=O)N2CCCC[C@H]2CCC(=O)[O-])c1 ZINC001263062215 957283063 /nfs/dbraw/zinc/28/30/63/957283063.db2.gz NSSZYOJGBFWPRT-ZBFHGGJFSA-N -1 0 348.443 3.575 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)C(F)(F)c2ccc(Cl)cc2)C1 ZINC001325118251 957309871 /nfs/dbraw/zinc/30/98/71/957309871.db2.gz UVIGDPZPMMCWTJ-NSHDSACASA-N -1 0 345.773 3.535 20 0 EHADRM CC(C)c1ccc(O[C@H](C)CNC(=O)C2(C(=O)[O-])CCCCC2)cc1 ZINC001603167379 972265174 /nfs/dbraw/zinc/26/51/74/972265174.db2.gz ARSOQJUYEVOZAP-OAHLLOKOSA-N -1 0 347.455 3.729 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(Br)c(F)c2)cc1 ZINC000043575989 957435554 /nfs/dbraw/zinc/43/55/54/957435554.db2.gz XCIRYTVNKYCGMW-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM COc1ccc(C(=O)[O-])c(OCc2cccc(Br)c2)c1 ZINC000050499297 957492951 /nfs/dbraw/zinc/49/29/51/957492951.db2.gz CEHKRGXQEVUUJE-UHFFFAOYSA-N -1 0 337.169 3.735 20 0 EHADRM COc1ccc(Br)cc1NCc1ccc(C(=O)[O-])cc1 ZINC000050920834 957500903 /nfs/dbraw/zinc/50/09/03/957500903.db2.gz RSUMJNJGSPSHTH-UHFFFAOYSA-N -1 0 336.185 3.768 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CCOc1cccc(Cl)c1 ZINC000390312903 972274832 /nfs/dbraw/zinc/27/48/32/972274832.db2.gz GKQNZGGSIAOEDN-UHFFFAOYSA-N -1 0 333.771 3.754 20 0 EHADRM COc1cc(CC(=O)Nc2ccc(Cl)cc2C(=O)[O-])ccc1C ZINC000390310011 972274941 /nfs/dbraw/zinc/27/49/41/972274941.db2.gz NLDJQDXLKNONMY-UHFFFAOYSA-N -1 0 333.771 3.536 20 0 EHADRM O=C([O-])c1ccc2ccccc2c1OC[C@@H]1COc2ccccc2O1 ZINC000059687699 957563234 /nfs/dbraw/zinc/56/32/34/957563234.db2.gz LQTACIZMLNERSL-AWEZNQCLSA-N -1 0 336.343 3.757 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OC(=O)COc1ccc(Cl)cc1 ZINC000066143387 957640958 /nfs/dbraw/zinc/64/09/58/957640958.db2.gz IVZGYMDYWYNDLE-UHFFFAOYSA-N -1 0 341.146 3.676 20 0 EHADRM Cc1cc(C(=O)NC2(C(=O)[O-])CCCCCC2)c(C(F)(F)F)o1 ZINC001594277639 957726164 /nfs/dbraw/zinc/72/61/64/957726164.db2.gz IYGVEAVTFYKFNK-UHFFFAOYSA-N -1 0 333.306 3.514 20 0 EHADRM COc1cccc(SCCOc2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC000390556727 972293490 /nfs/dbraw/zinc/29/34/90/972293490.db2.gz LNEVXICWOHWZBC-JXMROGBWSA-N -1 0 330.405 3.964 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2CCC[C@H]2Cc2ccccc2)ccc1O ZINC001574790493 957806168 /nfs/dbraw/zinc/80/61/68/957806168.db2.gz VMXLGJNUUSWVOZ-HOCLYGCPSA-N -1 0 339.391 3.688 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCc2cn(C(F)F)c3ccccc23)cc1 ZINC001574795853 957819344 /nfs/dbraw/zinc/81/93/44/957819344.db2.gz HJQCXDMVQQZXFK-UHFFFAOYSA-N -1 0 344.317 3.665 20 0 EHADRM O=C([O-])c1ccc(C(=O)OCc2ccc(OCC3CC3)cc2)cc1 ZINC001574797052 957827215 /nfs/dbraw/zinc/82/72/15/957827215.db2.gz YUAPHVOLBGBFND-UHFFFAOYSA-N -1 0 326.348 3.531 20 0 EHADRM CON(C(=O)c1sc2cc(Cl)ccc2c1Cl)[C@@H](C)C(=O)[O-] ZINC001594040659 957868432 /nfs/dbraw/zinc/86/84/32/957868432.db2.gz ORVHPGKJVZRJKG-LURJTMIESA-N -1 0 348.207 3.685 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)N[C@@H](c1cccs1)C1CC1 ZINC001339845407 957891840 /nfs/dbraw/zinc/89/18/40/957891840.db2.gz KTEMELOXIDTXRG-XJKSGUPXSA-N -1 0 336.457 3.628 20 0 EHADRM COc1c(C)cc(Cl)cc1NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001594047377 957944220 /nfs/dbraw/zinc/94/42/20/957944220.db2.gz WKWSXRLRUWEDOP-ARJAWSKDSA-N -1 0 335.743 3.600 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)/C=C\c1ccccc1Cl ZINC000391020945 972312584 /nfs/dbraw/zinc/31/25/84/972312584.db2.gz PNLKXWLKFLKOHI-KHPPLWFESA-N -1 0 329.783 3.710 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc3ccc(OC)cc3s2)C1 ZINC001341241474 957952971 /nfs/dbraw/zinc/95/29/71/957952971.db2.gz ZSCUPLVKLDRGMZ-GOSISDBHSA-N -1 0 347.436 3.627 20 0 EHADRM C[C@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)c1csc2ccccc21 ZINC001343098351 958026237 /nfs/dbraw/zinc/02/62/37/958026237.db2.gz KQZLZRXJUWVRQP-AGIUHOORSA-N -1 0 346.452 3.715 20 0 EHADRM COc1cc(Cl)c(NC(=O)NCc2ccc(C(=O)[O-])cc2)cc1C ZINC001594058619 958067135 /nfs/dbraw/zinc/06/71/35/958067135.db2.gz ADLBHACKJQYJFK-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM COc1cc(Cl)c(Cl)cc1-c1nc(C2(C(=O)[O-])CCC2)no1 ZINC001594059062 958075354 /nfs/dbraw/zinc/07/53/54/958075354.db2.gz VJIAQRCPNCHZCH-UHFFFAOYSA-N -1 0 343.166 3.558 20 0 EHADRM CCC(CC)(CC)CNC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000391138752 972319907 /nfs/dbraw/zinc/31/99/07/972319907.db2.gz BHEKMTQCQRWTAR-MRXNPFEDSA-N -1 0 332.444 3.596 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2conc2C2CCCC2)c1 ZINC001351986222 958121210 /nfs/dbraw/zinc/12/12/10/958121210.db2.gz VNEVJCUXBGLQGF-UHFFFAOYSA-N -1 0 328.368 3.602 20 0 EHADRM Cc1cc(NC(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2F)ccc1C(=O)[O-] ZINC001594322986 958136245 /nfs/dbraw/zinc/13/62/45/958136245.db2.gz LHSCSRKXYMBVSZ-GOEBONIOSA-N -1 0 346.333 3.649 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)Nc1ccccc1Cl)CC2 ZINC000391233570 972325033 /nfs/dbraw/zinc/32/50/33/972325033.db2.gz AMTKJXFWPVQYJZ-UHFFFAOYSA-N -1 0 330.771 3.628 20 0 EHADRM CCc1c(C(=O)N2CCC[C@@](CC)(C(=O)[O-])C2)cnn1C(CC)CC ZINC001358237254 958201534 /nfs/dbraw/zinc/20/15/34/958201534.db2.gz CVYFYCFCCMHGIS-LJQANCHMSA-N -1 0 349.475 3.524 20 0 EHADRM Cc1ccc(-c2cc(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])on2)cc1 ZINC001594332666 958242066 /nfs/dbraw/zinc/24/20/66/958242066.db2.gz AKCDUYCCQOJSEI-CQSZACIVSA-N -1 0 344.411 3.659 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3CCC[C@H](C)[C@@H]3C(=O)[O-])s2)o1 ZINC001594334195 958251273 /nfs/dbraw/zinc/25/12/73/958251273.db2.gz PIJKVYVKNHIGIK-ZUZCIYMTSA-N -1 0 333.409 3.642 20 0 EHADRM Cc1cc(C(=O)Nc2sccc2C(=O)[O-])sc1Br ZINC000094533298 958289997 /nfs/dbraw/zinc/28/99/97/958289997.db2.gz VKAOERCUKCESAJ-UHFFFAOYSA-N -1 0 346.227 3.831 20 0 EHADRM Cc1ccc(Br)c(OC(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001594341817 958296473 /nfs/dbraw/zinc/29/64/73/958296473.db2.gz FQWMDIQHENBWHI-UHFFFAOYSA-N -1 0 335.153 3.675 20 0 EHADRM COc1ccc(C2(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])CCC2)cc1 ZINC001594084576 958304032 /nfs/dbraw/zinc/30/40/32/958304032.db2.gz ZVIGDJDSZADVJU-MRXNPFEDSA-N -1 0 347.455 3.513 20 0 EHADRM Cc1ccc(C(=O)Nc2cncc(C(=O)[O-])c2)cc1Oc1ccncc1 ZINC001594347649 958330644 /nfs/dbraw/zinc/33/06/44/958330644.db2.gz JNSGHISJHYLEPX-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2cncc(C(=O)[O-])c2)c1 ZINC001594349470 958336702 /nfs/dbraw/zinc/33/67/02/958336702.db2.gz IJJVINMIHFIPMK-ZDUSSCGKSA-N -1 0 342.395 3.618 20 0 EHADRM Cc1ccc(C(F)(F)F)c(NC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)c1 ZINC001594350718 958350489 /nfs/dbraw/zinc/35/04/89/958350489.db2.gz KUVUKIDEMYQCQN-GHMZBOCLSA-N -1 0 344.333 3.731 20 0 EHADRM C[C@@](NC(=O)CCCCc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC001603220471 972341378 /nfs/dbraw/zinc/34/13/78/972341378.db2.gz OJQQWPIEQYXMJR-FQEVSTJZSA-N -1 0 325.408 3.516 20 0 EHADRM Cc1ccc([C@H]2CCN(C(=O)C3(C(=O)[O-])CCCCCC3)C2)cc1 ZINC001594354628 958403506 /nfs/dbraw/zinc/40/35/06/958403506.db2.gz VNMVQUZNOGEQHZ-KRWDZBQOSA-N -1 0 329.440 3.736 20 0 EHADRM Cc1ccc(CC2CN(C(=O)Nc3ccc(C(=O)[O-])cc3F)C2)cc1 ZINC001594355576 958412517 /nfs/dbraw/zinc/41/25/17/958412517.db2.gz LDYQXRIBECJHJB-UHFFFAOYSA-N -1 0 342.370 3.539 20 0 EHADRM Cc1ccc(CCC(=O)N2CCCc3cc(C(=O)[O-])ccc32)s1 ZINC001594355883 958417150 /nfs/dbraw/zinc/41/71/50/958417150.db2.gz YBASRNBTDIMNLA-UHFFFAOYSA-N -1 0 329.421 3.667 20 0 EHADRM Cc1ccc(F)c2oc(C(=O)N[C@](C)(C(=O)[O-])c3ccccc3)cc21 ZINC001594364722 958481455 /nfs/dbraw/zinc/48/14/55/958481455.db2.gz AEWYFYAZLNELCL-IBGZPJMESA-N -1 0 341.338 3.610 20 0 EHADRM Cc1ccc(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1OC(C)C ZINC001594368876 958520966 /nfs/dbraw/zinc/52/09/66/958520966.db2.gz CBBRVGIIOWOZAY-VQHVLOKHSA-N -1 0 329.352 3.725 20 0 EHADRM Cc1ccc(OC(=O)c2cccc(C(=O)[O-])c2)c(Br)c1 ZINC001594374332 958575367 /nfs/dbraw/zinc/57/53/67/958575367.db2.gz MESFIBVSXKKLCS-UHFFFAOYSA-N -1 0 335.153 3.675 20 0 EHADRM C/C(=C\C(=O)NC[C@@H](C(=O)[O-])C(C)C)c1ccccc1C(F)(F)F ZINC001588479729 958578911 /nfs/dbraw/zinc/57/89/11/958578911.db2.gz BYBCVEQXAVHOGZ-RUNBWSAHSA-N -1 0 343.345 3.582 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001588481491 958595366 /nfs/dbraw/zinc/59/53/66/958595366.db2.gz NFXIZEQLSFPDBI-XRHIAGSSSA-N -1 0 349.430 3.725 20 0 EHADRM C[C@H](C(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-])c1c(Cl)cccc1Cl ZINC001573362426 958597855 /nfs/dbraw/zinc/59/78/55/958597855.db2.gz AWXDVLLWQBRLFY-VDDIYKPWSA-N -1 0 330.211 3.561 20 0 EHADRM Cc1ccc(SCCc2nc(C3(C(=O)[O-])CCC3)no2)cc1C ZINC001594378308 958610288 /nfs/dbraw/zinc/61/02/88/958610288.db2.gz VNFNFHZSUWAODP-UHFFFAOYSA-N -1 0 332.425 3.528 20 0 EHADRM Cc1ccc2cccc(C(=O)N[C@H]3C[C@H](C(=O)[O-])c4ccccc43)c2n1 ZINC001594382581 958647271 /nfs/dbraw/zinc/64/72/71/958647271.db2.gz FSYHIFKLBOKLJC-ROUUACIJSA-N -1 0 346.386 3.586 20 0 EHADRM COc1cccc(N(CC(C)C)C(=O)Cc2ccccc2C(=O)[O-])c1 ZINC001594130732 958662695 /nfs/dbraw/zinc/66/26/95/958662695.db2.gz RIUUXAVHQPNIIF-UHFFFAOYSA-N -1 0 341.407 3.625 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc(Cl)ncc2Cl)ccc1Cl ZINC000129125251 958691958 /nfs/dbraw/zinc/69/19/58/958691958.db2.gz QHZLBWVHVWBBRY-UHFFFAOYSA-N -1 0 345.569 3.992 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)Nc1ccc2ncsc2c1)C(=O)[O-] ZINC001573394350 958709854 /nfs/dbraw/zinc/70/98/54/958709854.db2.gz CTOOGJMKSCLBMC-GFCCVEGCSA-N -1 0 335.429 3.697 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2ccc(-c3ccccc3)[nH]2)C(=O)[O-])c1 ZINC001594393626 958751137 /nfs/dbraw/zinc/75/11/37/958751137.db2.gz NKMWCIDQEKBMHI-GOSISDBHSA-N -1 0 334.375 3.546 20 0 EHADRM Cc1cccc([C@H](NCc2ncc(Cl)cc2Cl)C(=O)[O-])c1 ZINC001594397634 958784400 /nfs/dbraw/zinc/78/44/00/958784400.db2.gz LEGQMXDVQJCUDW-AWEZNQCLSA-N -1 0 325.195 3.612 20 0 EHADRM Cc1cccc(C2(CNC(=O)[C@@H](C(=O)[O-])C(C)C)CCCCC2)c1 ZINC001594401392 958857618 /nfs/dbraw/zinc/85/76/18/958857618.db2.gz DMMITUWNPOUCRZ-KRWDZBQOSA-N -1 0 331.456 3.670 20 0 EHADRM Cc1c(Cl)cccc1C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000391865088 972383805 /nfs/dbraw/zinc/38/38/05/972383805.db2.gz SVENYXHAQXAJMF-INIZCTEOSA-N -1 0 331.799 3.984 20 0 EHADRM Cc1cccc(CN(CC(C)C)C(=O)NCCC(C)(C)C(=O)[O-])c1 ZINC001594404472 958890106 /nfs/dbraw/zinc/89/01/06/958890106.db2.gz YEPLJCOIIYJJNQ-UHFFFAOYSA-N -1 0 334.460 3.664 20 0 EHADRM Cc1cc(NC(=O)Cc2ccccc2C(=O)[O-])ccc1Br ZINC000135820662 958893134 /nfs/dbraw/zinc/89/31/34/958893134.db2.gz NBFUWXZGTRRHBM-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM Cc1cccc([C@H]2CCN(C(=O)C3(C(=O)[O-])CCCCCC3)C2)c1 ZINC001594407831 958914116 /nfs/dbraw/zinc/91/41/16/958914116.db2.gz CYPQKDCBXSZUEB-KRWDZBQOSA-N -1 0 329.440 3.736 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2cc3cc(F)ccc3o2)c2ccccc21 ZINC001605743696 972389062 /nfs/dbraw/zinc/38/90/62/972389062.db2.gz NRFZAIGAZNCRHL-HUUCEWRRSA-N -1 0 339.322 3.615 20 0 EHADRM Cc1cccc2oc(C(=O)N[C@H](C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)cc21 ZINC001594413265 958966041 /nfs/dbraw/zinc/96/60/41/958966041.db2.gz BOMWUGNVCZSZHR-KWCYVHTRSA-N -1 0 329.396 3.606 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)NCc2ccccc2C(=O)[O-])c1 ZINC001573485209 958993287 /nfs/dbraw/zinc/99/32/87/958993287.db2.gz XUZBWUVSHHLGJJ-UHFFFAOYSA-N -1 0 339.391 3.660 20 0 EHADRM CC(C)[C@H](CNC(=O)[C@]1(C(=O)[O-])CC1(C)C)c1ccc(Cl)cc1 ZINC001573489211 958994990 /nfs/dbraw/zinc/99/49/90/958994990.db2.gz BDVVFEYYFWBWBV-KSSFIOAISA-N -1 0 337.847 3.697 20 0 EHADRM Cc1nc(NC(=O)c2ccc(Cl)cc2Cl)sc1C(=O)[O-] ZINC000147934018 959006486 /nfs/dbraw/zinc/00/64/86/959006486.db2.gz QTFMLXRWDROPPM-UHFFFAOYSA-N -1 0 331.180 3.709 20 0 EHADRM C[C@H](C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC001588549132 959009318 /nfs/dbraw/zinc/00/93/18/959009318.db2.gz SFZSQZLHPPTJPZ-GMXVVIOVSA-N -1 0 343.345 3.521 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1nc(/C=C/c2ccccc2)cs1 ZINC001573489892 959009665 /nfs/dbraw/zinc/00/96/65/959009665.db2.gz LJCBTYUXGFQHPR-MYSGNRETSA-N -1 0 330.409 3.609 20 0 EHADRM C[C@H](C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1cn(C)c2ccccc12 ZINC001588552564 959035945 /nfs/dbraw/zinc/03/59/45/959035945.db2.gz UZNJCCRUCLKPTM-XJKSGUPXSA-N -1 0 344.455 3.678 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc(F)c2Br)s1 ZINC000155686913 959041033 /nfs/dbraw/zinc/04/10/33/959041033.db2.gz BIZLIXQUFKVYGL-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM Cc1ccccc1Oc1ccc(C(=O)Nc2cc(C(=O)[O-])ccn2)nc1 ZINC001594418803 959042650 /nfs/dbraw/zinc/04/26/50/959042650.db2.gz LHJSDDXPIBMDMP-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N[C@H](C)c1ccc(Cl)c(F)c1)C(=O)[O-] ZINC001573511248 959097627 /nfs/dbraw/zinc/09/76/27/959097627.db2.gz SPFAOXXILBCXEB-PWSUYJOCSA-N -1 0 344.814 3.586 20 0 EHADRM CSCCCC(=O)Nc1sc2c(c1C(=O)[O-])C[C@H](C)O[C@@H]2C ZINC001594184469 959107068 /nfs/dbraw/zinc/10/70/68/959107068.db2.gz MSSYIOBIOLBBBW-DTWKUNHWSA-N -1 0 343.470 3.550 20 0 EHADRM CSC[C@@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001594185395 959120308 /nfs/dbraw/zinc/12/03/08/959120308.db2.gz IDQONMWURKUTGK-DTWKUNHWSA-N -1 0 327.471 3.509 20 0 EHADRM CSCc1ccccc1NC(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001594188221 959140197 /nfs/dbraw/zinc/14/01/97/959140197.db2.gz RBNHWTMJZWEHCZ-OAHLLOKOSA-N -1 0 348.399 3.636 20 0 EHADRM CSc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2)c1 ZINC001594196378 959196596 /nfs/dbraw/zinc/19/65/96/959196596.db2.gz OEKXEHASFVKWRI-OAHLLOKOSA-N -1 0 330.409 3.664 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)Nc1ccc(-c2nc3c(cccc3Cl)[nH]2)cc1 ZINC001588575420 959218721 /nfs/dbraw/zinc/21/87/21/959218721.db2.gz CFVAXVUZJOUNOQ-VIFPVBQESA-N -1 0 343.770 3.543 20 0 EHADRM CC(C)CC1(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC000392135332 972414458 /nfs/dbraw/zinc/41/44/58/972414458.db2.gz OOYYSOJVQKLLPX-UHFFFAOYSA-N -1 0 326.343 3.611 20 0 EHADRM CC(C)c1scnc1NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001573568460 959301149 /nfs/dbraw/zinc/30/11/49/959301149.db2.gz MAUYZAUVCZUTJN-JTQLQIEISA-N -1 0 327.450 3.668 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)c3cccc(C(=O)[O-])c3)c2)[nH]c1C ZINC001594443733 959310728 /nfs/dbraw/zinc/31/07/28/959310728.db2.gz QXSLKIHCIWHNBX-UHFFFAOYSA-N -1 0 335.363 3.644 20 0 EHADRM Cc1c2ccccc2oc1C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC000392176907 972420723 /nfs/dbraw/zinc/42/07/23/972420723.db2.gz WRBCCRSPMHNACD-OAHLLOKOSA-N -1 0 329.396 3.895 20 0 EHADRM C[C@H](CC(=O)NCc1ccc(C(=O)[O-])cc1)c1c[nH]c2ccccc21 ZINC001573575018 959322054 /nfs/dbraw/zinc/32/20/54/959322054.db2.gz CBYXNSLXVIBBJM-CYBMUJFWSA-N -1 0 336.391 3.676 20 0 EHADRM Cc1ccc(NC(=O)c2snc(Cl)c2Cl)c(C(=O)[O-])c1 ZINC000167444449 959347741 /nfs/dbraw/zinc/34/77/41/959347741.db2.gz PQBYBJCQQQDLAQ-UHFFFAOYSA-N -1 0 331.180 3.709 20 0 EHADRM CN(Cc1ccccc1Br)Cc1ccccc1CC(=O)[O-] ZINC000167706730 959356240 /nfs/dbraw/zinc/35/62/40/959356240.db2.gz ZFVOSJHCSIQNAS-UHFFFAOYSA-N -1 0 348.240 3.708 20 0 EHADRM CC(C)CC(=O)Nc1ccc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000179953354 959435008 /nfs/dbraw/zinc/43/50/08/959435008.db2.gz FKILNCXMQUNVCK-UONOGXRCSA-N -1 0 346.427 3.501 20 0 EHADRM C[C@@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(F)cc1Cl ZINC000180015794 959435501 /nfs/dbraw/zinc/43/55/01/959435501.db2.gz JILNLGWKJJQFPT-MXWKQRLJSA-N -1 0 327.783 3.547 20 0 EHADRM C[C@@H](CSCc1ccccc1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001573607915 959459869 /nfs/dbraw/zinc/45/98/69/959459869.db2.gz JRFZWUJUQNOVEF-HOTGVXAUSA-N -1 0 349.496 3.659 20 0 EHADRM C[C@@H](CSC(F)(F)F)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001573607953 959461631 /nfs/dbraw/zinc/46/16/31/959461631.db2.gz KZYYRZMPCFLJMU-VIFPVBQESA-N -1 0 335.347 3.531 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)NCC1(Cc2ccc(F)cc2)CC1 ZINC001605765357 972431824 /nfs/dbraw/zinc/43/18/24/972431824.db2.gz XHJUQEMDGQWILF-UHFFFAOYSA-N -1 0 342.370 3.668 20 0 EHADRM Cc1nc2ccccc2c(C)c1C(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001594464382 959495028 /nfs/dbraw/zinc/49/50/28/959495028.db2.gz DAJFGORAUJJUNV-HNNXBMFYSA-N -1 0 342.439 3.718 20 0 EHADRM C[C@H](NC(=O)[C@]1(C(=O)[O-])CC1(C)C)c1cc(Cl)ccc1Cl ZINC001594234469 959495951 /nfs/dbraw/zinc/49/59/51/959495951.db2.gz IQVKEXRVPKRRAA-AYVTZFPOSA-N -1 0 330.211 3.672 20 0 EHADRM C[C@H](NC(=O)/C=C\c1cccc(-c2ccc(Cl)cc2)c1)C(=O)[O-] ZINC001594234806 959504135 /nfs/dbraw/zinc/50/41/35/959504135.db2.gz OPZYGINRXFZBFQ-JSJZCHLLSA-N -1 0 329.783 3.610 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)c1cc(-c2ccccn2)ccc1Cl)C(=O)[O-] ZINC000190821236 959523770 /nfs/dbraw/zinc/52/37/70/959523770.db2.gz CURJTSYMYDZRDP-BDJLRTHQSA-N -1 0 346.814 3.631 20 0 EHADRM Cc1cc(NC(=O)c2cnn(CC(C)C)c2C2CC2)ccc1C(=O)[O-] ZINC000190980896 959531462 /nfs/dbraw/zinc/53/14/62/959531462.db2.gz HGKYTKJDTISSHZ-UHFFFAOYSA-N -1 0 341.411 3.675 20 0 EHADRM C[C@H](OC(=O)CCCCC(=O)[O-])c1ccccc1Br ZINC001594243668 959552072 /nfs/dbraw/zinc/55/20/72/959552072.db2.gz XAENFAQZUVBEFJ-JTQLQIEISA-N -1 0 329.190 3.698 20 0 EHADRM CC[C@H](C)n1ncc(C(=O)Nc2cc(C(=O)[O-])cs2)c1C1CC1 ZINC000191360355 959554373 /nfs/dbraw/zinc/55/43/73/959554373.db2.gz NQHYLSVEPCJUGL-VIFPVBQESA-N -1 0 333.413 3.744 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000191401547 959560786 /nfs/dbraw/zinc/56/07/86/959560786.db2.gz LRHKTMTZEONTOA-CABCVRRESA-N -1 0 325.408 3.767 20 0 EHADRM O=C([O-])C1(CNC(=O)c2cc(Cl)sc2Cl)CCCCC1 ZINC000191515685 959575443 /nfs/dbraw/zinc/57/54/43/959575443.db2.gz MGSBMCLYMONXLH-UHFFFAOYSA-N -1 0 336.240 3.820 20 0 EHADRM COc1c(C)cc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1C ZINC000192869504 959592857 /nfs/dbraw/zinc/59/28/57/959592857.db2.gz QDPURTCWXMGVLN-WMLDXEAASA-N -1 0 341.407 3.504 20 0 EHADRM C[C@@H](C(=O)N1C[C@H](C(=O)[O-])c2ccccc21)c1cc2ccccc2o1 ZINC000192952747 959599841 /nfs/dbraw/zinc/59/98/41/959599841.db2.gz ABELZEXKXNTMGU-DOMZBBRYSA-N -1 0 335.359 3.751 20 0 EHADRM CCC[C@@](C)(NC(=O)/C=C\c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000209273407 959673444 /nfs/dbraw/zinc/67/34/44/959673444.db2.gz CGXRDFKHXMOREM-FOSCPCJNSA-N -1 0 330.211 3.766 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001573665134 959686941 /nfs/dbraw/zinc/68/69/41/959686941.db2.gz PYRAUNUBGOYSTK-UVBSCNOISA-N -1 0 335.831 3.593 20 0 EHADRM CC1(C)CCC(CC(=O)Nc2nc3ccccn3c2C(=O)[O-])CC1 ZINC001573667499 959703589 /nfs/dbraw/zinc/70/35/89/959703589.db2.gz MONKLZOXPXLFHE-UHFFFAOYSA-N -1 0 329.400 3.578 20 0 EHADRM CC1(C)CCC[C@H]1N(Cc1ccccc1)C(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001573667730 959708340 /nfs/dbraw/zinc/70/83/40/959708340.db2.gz TYFIHUGLPYQZDK-BRWVUGGUSA-N -1 0 329.440 3.705 20 0 EHADRM CC(C)(C)[C@H]1CCC[C@H](NC(=O)C2(C(=O)[O-])CCSCC2)CC1 ZINC001588643777 959719600 /nfs/dbraw/zinc/71/96/00/959719600.db2.gz VIJQHLMTTVKANM-KBPBESRZSA-N -1 0 341.517 3.696 20 0 EHADRM CC1(c2cc(NC(=O)N3CCC[C@@H](CCC(=O)[O-])C3)no2)CCCC1 ZINC001573689352 959756578 /nfs/dbraw/zinc/75/65/78/959756578.db2.gz JPPAZUUVJBZLAM-ZDUSSCGKSA-N -1 0 349.431 3.615 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)c1coc(C2CCCCC2)n1)C(=O)[O-] ZINC001588652706 959782231 /nfs/dbraw/zinc/78/22/31/959782231.db2.gz DJWJFVDONNKKAB-ZDUSSCGKSA-N -1 0 336.432 3.732 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)CCc1ccc(-c2ccccc2)[nH]1 ZINC001588652983 959787782 /nfs/dbraw/zinc/78/77/82/959787782.db2.gz YXVDCFXOBOUUJS-UHFFFAOYSA-N -1 0 342.439 3.574 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)CC2(CSc3ccccc3)CC2)C1 ZINC001573700167 959825950 /nfs/dbraw/zinc/82/59/50/959825950.db2.gz WZODISYBFNHEHN-HUUCEWRRSA-N -1 0 347.480 3.518 20 0 EHADRM O=C([O-])c1cccc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)c1 ZINC000224345065 959847567 /nfs/dbraw/zinc/84/75/67/959847567.db2.gz YSPZBTGQPJOGBZ-UHFFFAOYSA-N -1 0 346.338 3.835 20 0 EHADRM C[C@H](c1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1)C(F)(F)F ZINC001573711451 959852659 /nfs/dbraw/zinc/85/26/59/959852659.db2.gz NPNOUKLTQKLHDI-GYSYKLTISA-N -1 0 343.345 3.678 20 0 EHADRM CN(Cc1ccsc1)Cc1ccc(C(=O)[O-])cc1Br ZINC000226719806 959895065 /nfs/dbraw/zinc/89/50/65/959895065.db2.gz HPWHTKBAPOFBJP-UHFFFAOYSA-N -1 0 340.242 3.841 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)N2CCc3sccc3[C@@H]2C)c1 ZINC000392490086 972491409 /nfs/dbraw/zinc/49/14/09/972491409.db2.gz SXHLUDILGUXPJE-JTQLQIEISA-N -1 0 346.408 3.606 20 0 EHADRM O=C([O-])[C@H]1Cc2ccccc2N(Cc2ccccc2C(F)(F)F)C1 ZINC000392570046 972498375 /nfs/dbraw/zinc/49/83/75/972498375.db2.gz BIGBLYWDTXYJBD-AWEZNQCLSA-N -1 0 335.325 3.969 20 0 EHADRM COc1ccc(Br)cc1-c1nc(CCC(=O)[O-])cs1 ZINC000234826230 960372015 /nfs/dbraw/zinc/37/20/15/960372015.db2.gz BJNJDVFAFWQDNW-UHFFFAOYSA-N -1 0 342.214 3.598 20 0 EHADRM C[C@H]1CCCN(C(=O)c2cccc(SC(F)(F)F)c2)[C@@H]1C(=O)[O-] ZINC001573725490 960399501 /nfs/dbraw/zinc/39/95/01/960399501.db2.gz FSADDXNTTZMDDW-CABZTGNLSA-N -1 0 347.358 3.624 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)N1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001123287027 960441188 /nfs/dbraw/zinc/44/11/88/960441188.db2.gz MYXVFDVOCPLCHO-CYBMUJFWSA-N -1 0 348.443 3.685 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2scnc2C2CCCC2)CCCC1 ZINC001123289444 960445107 /nfs/dbraw/zinc/44/51/07/960445107.db2.gz LNUMDICYDFGSDW-UHFFFAOYSA-N -1 0 336.457 3.566 20 0 EHADRM C[C@H](SCC(=O)[O-])c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC001603281201 972509654 /nfs/dbraw/zinc/50/96/54/972509654.db2.gz HIMRKMNSOMAEFZ-ZETCQYMHSA-N -1 0 332.303 3.634 20 0 EHADRM O=C([O-])c1coc(C(=O)Nc2ccc(SC(F)(F)F)cc2)c1 ZINC001254760394 960653972 /nfs/dbraw/zinc/65/39/72/960653972.db2.gz CPQFEPYDQIBOAB-UHFFFAOYSA-N -1 0 331.271 3.842 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Nc1ccc(Oc2ccccc2)cc1)C1CC1 ZINC000392788939 972522211 /nfs/dbraw/zinc/52/22/11/972522211.db2.gz NDURXJXQZRVKCF-KRWDZBQOSA-N -1 0 340.379 3.854 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C\C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001573777003 960700507 /nfs/dbraw/zinc/70/05/07/960700507.db2.gz VIPVDPMLHRCYLZ-PRWOLLLXSA-N -1 0 340.379 3.609 20 0 EHADRM CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000236639603 960721341 /nfs/dbraw/zinc/72/13/41/960721341.db2.gz KXSZOTOXHUJPGI-UHFFFAOYSA-N -1 0 346.408 3.683 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NCC1CCC(C)CC1)C(=O)[O-] ZINC000236662975 960725849 /nfs/dbraw/zinc/72/58/49/960725849.db2.gz JJZUHQMTRBJIJH-MOKVOYLWSA-N -1 0 335.469 3.808 20 0 EHADRM CC(C)COc1ccc(C(C)(C)NC(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000236666235 960728138 /nfs/dbraw/zinc/72/81/38/960728138.db2.gz XORFLUPICKASLD-UHFFFAOYSA-N -1 0 345.395 3.678 20 0 EHADRM CCC(CC)(CNC(=O)c1ncsc1Nc1ccccc1)C(=O)[O-] ZINC001573790410 960746668 /nfs/dbraw/zinc/74/66/68/960746668.db2.gz OGJZLTHUYCGIBM-UHFFFAOYSA-N -1 0 347.440 3.508 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1nc2ccccc2n1C(C)(C)C ZINC001261631185 960750873 /nfs/dbraw/zinc/75/08/73/960750873.db2.gz LGEQFHTVDFPJAM-UHFFFAOYSA-N -1 0 341.367 3.643 20 0 EHADRM CCCN(C)C(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000236761690 960752684 /nfs/dbraw/zinc/75/26/84/960752684.db2.gz KWNJZCZLXCGXJF-UHFFFAOYSA-N -1 0 333.409 3.752 20 0 EHADRM CC(C)Oc1cccc([C@@H](C)NC(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000236768893 960754287 /nfs/dbraw/zinc/75/42/87/960754287.db2.gz QKDCUOOXXSFMPU-CYBMUJFWSA-N -1 0 327.380 3.663 20 0 EHADRM CC[C@H](CCc1ccccc1)NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001573791304 960754964 /nfs/dbraw/zinc/75/49/64/960754964.db2.gz NUAHAEZTFVVVLN-BMOGTNHUSA-N -1 0 327.380 3.519 20 0 EHADRM CCCCCOc1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000236771573 960756229 /nfs/dbraw/zinc/75/62/29/960756229.db2.gz CFWWFRMDBGKRKI-MRXNPFEDSA-N -1 0 347.455 3.973 20 0 EHADRM CC(C)C[C@@H](NC(=O)CSc1ccc2ccccc2c1)C(=O)[O-] ZINC000236773546 960756268 /nfs/dbraw/zinc/75/62/68/960756268.db2.gz LPYWICXSAZRNEG-MRXNPFEDSA-N -1 0 331.437 3.547 20 0 EHADRM CC(C)(CC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)c1ccccc1 ZINC000236801855 960761210 /nfs/dbraw/zinc/76/12/10/960761210.db2.gz SRQSYUAYARTFMY-UHFFFAOYSA-N -1 0 337.379 3.568 20 0 EHADRM CCCCCC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000236833199 960767977 /nfs/dbraw/zinc/76/79/77/960767977.db2.gz YQPGIXPVXZMIAP-ZDUSSCGKSA-N -1 0 347.333 3.798 20 0 EHADRM CCC(CC)(CNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000236862248 960779708 /nfs/dbraw/zinc/77/97/08/960779708.db2.gz UEOYVYOREKJGID-ZWKOTPCHSA-N -1 0 339.435 3.951 20 0 EHADRM CCC[C@@](C)(NC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000236965627 960816476 /nfs/dbraw/zinc/81/64/76/960816476.db2.gz SMNLJEDCWWCKSQ-BJOHPYRUSA-N -1 0 348.226 3.520 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)c1cccc(OCc2cccs2)c1)C(=O)[O-] ZINC000236971425 960819508 /nfs/dbraw/zinc/81/95/08/960819508.db2.gz FKAQCYGLQALSEN-BLLLJJGKSA-N -1 0 347.436 3.556 20 0 EHADRM CC[C@H](C)[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000236984291 960822779 /nfs/dbraw/zinc/82/27/79/960822779.db2.gz GTUKASABNPWDLB-KSSFIOAISA-N -1 0 325.408 3.831 20 0 EHADRM CC[C@H](C)[C@H](C(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000236984021 960824224 /nfs/dbraw/zinc/82/42/24/960824224.db2.gz ARKJRXOIFRPFNR-KXBFYZLASA-N -1 0 339.435 3.873 20 0 EHADRM CCC[C@H](NC(=O)[C@H](CC)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000237000775 960831931 /nfs/dbraw/zinc/83/19/31/960831931.db2.gz WIWPMIMXSXYJCB-OLZOCXBDSA-N -1 0 331.334 3.569 20 0 EHADRM CCC[C@H](NC(=O)c1occc1CSc1ccccc1)C(=O)[O-] ZINC000237015193 960835527 /nfs/dbraw/zinc/83/55/27/960835527.db2.gz FRDHGPLCKKUBQT-AWEZNQCLSA-N -1 0 333.409 3.555 20 0 EHADRM Cc1cccc(COc2cccc(C(=O)N(C)CCCC(=O)[O-])c2)c1 ZINC000237031029 960845355 /nfs/dbraw/zinc/84/53/55/960845355.db2.gz AVVNGUZQRCCXRT-UHFFFAOYSA-N -1 0 341.407 3.511 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001574331154 960891090 /nfs/dbraw/zinc/89/10/90/960891090.db2.gz YRBUURUSOOHKMX-HOTGVXAUSA-N -1 0 329.783 3.691 20 0 EHADRM CC[C@H](OC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccc(OC)cc1 ZINC001573813735 960918405 /nfs/dbraw/zinc/91/84/05/960918405.db2.gz QAEUIDYRFWLOPX-GDXASINISA-N -1 0 330.336 3.694 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)NCc1cccc(Cl)c1)C(=O)[O-] ZINC000237378023 960921910 /nfs/dbraw/zinc/92/19/10/960921910.db2.gz DKNUMSQNHGZTNO-LLVKDONJSA-N -1 0 349.839 3.835 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)C[C@H]2CCc3ccccc32)cc1 ZINC001319310303 960938693 /nfs/dbraw/zinc/93/86/93/960938693.db2.gz XRRLTIQINPFNKJ-MJGOQNOKSA-N -1 0 337.419 3.747 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1ccc2cc[nH]c2c1)C(=O)[O-] ZINC000237493231 960945536 /nfs/dbraw/zinc/94/55/36/960945536.db2.gz RXLALPALUBEOPC-AWEZNQCLSA-N -1 0 336.391 3.531 20 0 EHADRM COc1ccc(SCCC(=O)Nc2ccc(C(=O)[O-])cc2C)cc1 ZINC001319534974 960951140 /nfs/dbraw/zinc/95/11/40/960951140.db2.gz NUMFJBDJXUUWAO-UHFFFAOYSA-N -1 0 345.420 3.823 20 0 EHADRM C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)c1ccc(C(=O)[O-])o1 ZINC000237520220 960952756 /nfs/dbraw/zinc/95/27/56/960952756.db2.gz YWKPMSTXYXNEAV-QMMMGPOBSA-N -1 0 342.178 3.646 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(Cn3cccc3)cc2)cc1C(=O)[O-] ZINC001319793866 960957516 /nfs/dbraw/zinc/95/75/16/960957516.db2.gz RCJZLYVWYZONQI-UHFFFAOYSA-N -1 0 334.375 3.795 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N(C)Cc1ccccc1F)C(=O)[O-] ZINC000237549408 960957951 /nfs/dbraw/zinc/95/79/51/960957951.db2.gz VLAONBFIBBPPFB-LBPRGKRZSA-N -1 0 347.411 3.663 20 0 EHADRM C[C@@H](CC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC000237544494 960957999 /nfs/dbraw/zinc/95/79/99/960957999.db2.gz XQJQWDVWFKFDFQ-SUHUHFCYSA-N -1 0 343.345 3.569 20 0 EHADRM C[C@H](Cc1cccs1)NC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000237578759 960965753 /nfs/dbraw/zinc/96/57/53/960965753.db2.gz LXALWQZHOQISIV-VXGBXAGGSA-N -1 0 349.477 3.674 20 0 EHADRM C[C@H](CN(C)C(=O)c1ccc(CSc2ccccc2)cc1)C(=O)[O-] ZINC000237578856 960966780 /nfs/dbraw/zinc/96/67/80/960966780.db2.gz MHFSSVNTWREZDE-CQSZACIVSA-N -1 0 343.448 3.772 20 0 EHADRM Cc1cc2nc(NC(=O)c3ccc(C(=O)[O-])cc3)sc2cc1F ZINC001574348315 960975168 /nfs/dbraw/zinc/97/51/68/960975168.db2.gz UMEVPXRQAKDOBV-UHFFFAOYSA-N -1 0 330.340 3.694 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C2(Cc3cccc(Cl)c3)CCCC2)C1 ZINC000237641839 960982442 /nfs/dbraw/zinc/98/24/42/960982442.db2.gz VMXQJCJURLWXMZ-GOSISDBHSA-N -1 0 349.858 3.766 20 0 EHADRM Cc1ccc(CC2CCN(C(=O)CC(C)(C)CC(=O)[O-])CC2)cc1 ZINC001320759687 960986883 /nfs/dbraw/zinc/98/68/83/960986883.db2.gz QHMSFCBTXXDSDX-UHFFFAOYSA-N -1 0 331.456 3.667 20 0 EHADRM Cc1sc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1-c1ccc(F)cc1 ZINC000237697457 960999614 /nfs/dbraw/zinc/99/96/14/960999614.db2.gz QIUPGXQSIQWLLF-GOSISDBHSA-N -1 0 347.411 3.799 20 0 EHADRM C[C@H]1CCc2sc(C(=O)Nc3cc(C(=O)[O-])ccc3F)cc2C1 ZINC000237718545 961007138 /nfs/dbraw/zinc/00/71/38/961007138.db2.gz XKGYHCUYECVJTN-VIFPVBQESA-N -1 0 333.384 3.963 20 0 EHADRM Cc1sc(NC(=O)CCC(=O)[O-])c(C(=O)c2ccc(C)cc2)c1C ZINC001574357759 961011039 /nfs/dbraw/zinc/01/10/39/961011039.db2.gz YIDFSXNXLABSIN-UHFFFAOYSA-N -1 0 345.420 3.708 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)Cc1cccc2ccccc21 ZINC000237756358 961016177 /nfs/dbraw/zinc/01/61/77/961016177.db2.gz ITWOIYYIMCKWBN-UHFFFAOYSA-N -1 0 349.386 3.793 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)c3ccc(C(=O)[O-])cc3)c2)oc1C ZINC000237824504 961030224 /nfs/dbraw/zinc/03/02/24/961030224.db2.gz HMAZZVZENFBEGT-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCCCC(=O)[O-])c1 ZINC001573832303 961035838 /nfs/dbraw/zinc/03/58/38/961035838.db2.gz SJXHGLXWFFAGCI-UHFFFAOYSA-N -1 0 340.807 3.662 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccc(OC(=O)C2(CC(=O)[O-])CCC2)cc1 ZINC001588725250 961037194 /nfs/dbraw/zinc/03/71/94/961037194.db2.gz COQUKLKYGAZXSY-UHFFFAOYSA-N -1 0 349.383 3.584 20 0 EHADRM O=C([O-])CCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000237919939 961039787 /nfs/dbraw/zinc/03/97/87/961039787.db2.gz BTBXGJHKQQVXSA-UHFFFAOYSA-N -1 0 348.402 3.887 20 0 EHADRM Cc1ccc(CNC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c(OC(C)(C)C)c1 ZINC001574366699 961043124 /nfs/dbraw/zinc/04/31/24/961043124.db2.gz PMUZWZBLDCJBJY-HNNXBMFYSA-N -1 0 335.444 3.535 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)cc1 ZINC001325142458 961051059 /nfs/dbraw/zinc/05/10/59/961051059.db2.gz DRTCTHWIUBGHMK-CNNODRBYSA-N -1 0 349.430 3.531 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)C1 ZINC000237953663 961052928 /nfs/dbraw/zinc/05/29/28/961052928.db2.gz FBOCJGRXRQSITB-JTQLQIEISA-N -1 0 347.308 3.562 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001574368911 961061825 /nfs/dbraw/zinc/06/18/25/961061825.db2.gz ILDDFVLYQRETOT-AWEZNQCLSA-N -1 0 336.750 3.735 20 0 EHADRM Cc1ccc(F)c2oc(C(=O)N3CCCC[C@@H]3CCC(=O)[O-])cc21 ZINC001574368913 961062745 /nfs/dbraw/zinc/06/27/45/961062745.db2.gz IQCJFSZZURLLRB-GFCCVEGCSA-N -1 0 333.359 3.740 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)C1 ZINC000238004929 961074138 /nfs/dbraw/zinc/07/41/38/961074138.db2.gz AQVHKAHBRHSXPG-SNVBAGLBSA-N -1 0 347.308 3.562 20 0 EHADRM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1cc2ccccc2s1 ZINC000238042981 961084970 /nfs/dbraw/zinc/08/49/70/961084970.db2.gz RJVVCVXXUDHMHC-OAHLLOKOSA-N -1 0 337.400 3.553 20 0 EHADRM Nc1c(Cl)cc(NC(=O)c2cccc(C(=O)[O-])c2)cc1Cl ZINC000238065195 961091141 /nfs/dbraw/zinc/09/11/41/961091141.db2.gz IOTXFWKRRPWXSW-UHFFFAOYSA-N -1 0 325.151 3.526 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000238083792 961092965 /nfs/dbraw/zinc/09/29/65/961092965.db2.gz OEKUPBOUDMWZQE-LSDHHAIUSA-N -1 0 329.783 3.709 20 0 EHADRM Cc1ccc(Oc2ccccc2CC(=O)N(C)C[C@@H](C)C(=O)[O-])cc1 ZINC001574377872 961096279 /nfs/dbraw/zinc/09/62/79/961096279.db2.gz AFYYNBGOJGPGAM-OAHLLOKOSA-N -1 0 341.407 3.509 20 0 EHADRM Cc1ccc2ncc(COC(=O)/C=C\c3ccc(C(=O)[O-])o3)cc2c1 ZINC001574385013 961129884 /nfs/dbraw/zinc/12/98/84/961129884.db2.gz WUSNPKFUPIXMMI-DAXSKMNVSA-N -1 0 337.331 3.591 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000238163372 961139648 /nfs/dbraw/zinc/13/96/48/961139648.db2.gz JXIVAHBEQHGTOD-UHFFFAOYSA-N -1 0 327.380 3.854 20 0 EHADRM CC(C)(C)SCCCC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001588738636 961140262 /nfs/dbraw/zinc/14/02/62/961140262.db2.gz OAGNTXMARZIUET-GJZGRUSLSA-N -1 0 335.469 3.728 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cnc(-c3ccccc3F)s2)cc1 ZINC000238193086 961152044 /nfs/dbraw/zinc/15/20/44/961152044.db2.gz HAJOBKCPOHQFIX-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM O=C([O-])[C@H](c1ccccc1Cl)N1CC[C@H](Oc2ccccc2)C1 ZINC001327340953 961153046 /nfs/dbraw/zinc/15/30/46/961153046.db2.gz KZZAKAGCHVXCDZ-YOEHRIQHSA-N -1 0 331.799 3.619 20 0 EHADRM Cc1cccc([C@H](NC(=O)[C@@H]2CCc3c2cccc3Cl)C(=O)[O-])c1 ZINC001574390308 961169000 /nfs/dbraw/zinc/16/90/00/961169000.db2.gz UJCJIIGUQJOZOV-WBVHZDCISA-N -1 0 343.810 3.620 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2cccc(C(=O)[O-])c2)c2ccccn2)c1 ZINC001574391017 961181252 /nfs/dbraw/zinc/18/12/52/961181252.db2.gz HWQNBWKGKTYKQS-LJQANCHMSA-N -1 0 346.386 3.608 20 0 EHADRM Cc1ccccc1C1(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)CCCC1 ZINC001574401244 961229867 /nfs/dbraw/zinc/22/98/67/961229867.db2.gz BYTMQEJJSLHMGH-INIZCTEOSA-N -1 0 329.440 3.520 20 0 EHADRM Cc1ccccc1C1=CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1 ZINC001574401422 961231682 /nfs/dbraw/zinc/23/16/82/961231682.db2.gz GCARQPPPTNEMKO-INIZCTEOSA-N -1 0 344.455 3.541 20 0 EHADRM Cc1ccccc1Oc1ccccc1CNC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC001574404332 961255067 /nfs/dbraw/zinc/25/50/67/961255067.db2.gz GBEMMRZRPVJUPR-SFHVURJKSA-N -1 0 339.391 3.514 20 0 EHADRM CC(C)(CNC(=O)Nc1cccnc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001588783280 961312561 /nfs/dbraw/zinc/31/25/61/961312561.db2.gz IQXMMDALRPXBHT-UHFFFAOYSA-N -1 0 347.802 3.533 20 0 EHADRM Cc1ccc2c(c1)S[C@@H](C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1)C2 ZINC001331399696 961374861 /nfs/dbraw/zinc/37/48/61/961374861.db2.gz PRAACRJXSNGXBO-YVEFUNNKSA-N -1 0 341.432 3.839 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)CCCC2CCCCC2)Cc2ccccc21 ZINC000261694193 961387412 /nfs/dbraw/zinc/38/74/12/961387412.db2.gz NZKBTVOUJVUTDN-SFHVURJKSA-N -1 0 329.440 3.948 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000262078122 961438524 /nfs/dbraw/zinc/43/85/24/961438524.db2.gz BDMLPNGGDCAWKC-HNNXBMFYSA-N -1 0 329.440 3.876 20 0 EHADRM CCc1oc(CNCc2ccccc2OCC(C)C)cc1C(=O)[O-] ZINC001331967222 961442410 /nfs/dbraw/zinc/44/24/10/961442410.db2.gz IUZQLHPWQIZQQX-UHFFFAOYSA-N -1 0 331.412 3.865 20 0 EHADRM Cc1sccc1CC(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21 ZINC001574446193 961448308 /nfs/dbraw/zinc/44/83/08/961448308.db2.gz HWWPMXTVMJVKQS-AWEZNQCLSA-N -1 0 343.448 3.669 20 0 EHADRM CC(C)[C@@H](CNC(=O)[C@@H](C(=O)[O-])C(C)C)c1ccc(Cl)cc1 ZINC001588805378 961476451 /nfs/dbraw/zinc/47/64/51/961476451.db2.gz VYPLFNYMWLWPTB-CABCVRRESA-N -1 0 325.836 3.553 20 0 EHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000262138165 961490855 /nfs/dbraw/zinc/49/08/55/961490855.db2.gz LOOYFOONWFPXBC-HPFXQQBRSA-N -1 0 329.440 3.662 20 0 EHADRM CC[C@@H](C)[C@@H](C(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000262138488 961493549 /nfs/dbraw/zinc/49/35/49/961493549.db2.gz DTWYROSLXQHDMK-AUUYWEPGSA-N -1 0 341.407 3.918 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000262163093 961514031 /nfs/dbraw/zinc/51/40/31/961514031.db2.gz NBTHEEQRKMHOHH-UHFFFAOYSA-N -1 0 336.388 3.839 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1CC[C@H]3CCCC[C@@H]3C1)CC2 ZINC000262167555 961517591 /nfs/dbraw/zinc/51/75/91/961517591.db2.gz HKEKRAINQFJBDC-DJIMGWMZSA-N -1 0 341.451 3.876 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1cccc(COc2cccc(F)c2)c1 ZINC001588809809 961517867 /nfs/dbraw/zinc/51/78/67/961517867.db2.gz XSTBGZUNMSSFPR-KRWDZBQOSA-N -1 0 345.370 3.700 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)CCc2ccc(Cl)s2)Cc2ccccc21 ZINC000262181092 961528657 /nfs/dbraw/zinc/52/86/57/961528657.db2.gz MIZNCTCULOMRRT-CQSZACIVSA-N -1 0 349.839 3.545 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)C2(Cc3ccccc3)CCC2)Cc2ccccc21 ZINC000262188253 961534502 /nfs/dbraw/zinc/53/45/02/961534502.db2.gz NEFDYXWCPJXKGJ-IBGZPJMESA-N -1 0 349.430 3.610 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000262198447 961544445 /nfs/dbraw/zinc/54/44/45/961544445.db2.gz OHGQSGBKKRNJIC-CRAIPNDOSA-N -1 0 329.440 3.804 20 0 EHADRM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(C(=O)[O-])n1 ZINC000262202435 961547622 /nfs/dbraw/zinc/54/76/22/961547622.db2.gz URIVJWUJTFNROY-YJBOKZPZSA-N -1 0 338.407 3.578 20 0 EHADRM CC(C)[C@@H](CCc1ccccc1)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001588815388 961568424 /nfs/dbraw/zinc/56/84/24/961568424.db2.gz OCXJEZRXEFPNCC-ZWKOTPCHSA-N -1 0 331.456 3.605 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1)C(=O)[O-] ZINC001573936878 961606110 /nfs/dbraw/zinc/60/61/10/961606110.db2.gz AMBFSGOWZZDJSU-BONVTDFDSA-N -1 0 334.803 3.564 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N1CCC[C@@H]1c1ccsc1 ZINC000262273081 961611149 /nfs/dbraw/zinc/61/11/49/961611149.db2.gz YLJAPZBUJREXRN-MRXNPFEDSA-N -1 0 329.421 3.743 20 0 EHADRM CC(C)[C@@H](CNC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC001588821015 961615908 /nfs/dbraw/zinc/61/59/08/961615908.db2.gz MGEVOABVOQJWKW-PXUDHTSWSA-N -1 0 327.380 3.547 20 0 EHADRM COc1ccc2cc(C(=O)Nc3ccc(F)c(C(=O)[O-])c3)ccc2c1 ZINC001332669865 961631551 /nfs/dbraw/zinc/63/15/51/961631551.db2.gz BIIBGJLZTQVHFN-UHFFFAOYSA-N -1 0 339.322 3.938 20 0 EHADRM CC(C)[C@@H](CNC(=O)Nc1ncc(C2CCCCC2)s1)C(=O)[O-] ZINC001588827170 961679189 /nfs/dbraw/zinc/67/91/89/961679189.db2.gz MXWMVMITTCDJBY-GFCCVEGCSA-N -1 0 339.461 3.669 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@H](C)SCc2ccccc2)cc1C(=O)[O-] ZINC000262419953 961708942 /nfs/dbraw/zinc/70/89/42/961708942.db2.gz CNDMAJNBPMUSNJ-ZDUSSCGKSA-N -1 0 347.436 3.567 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)/C=C\c1cc(Cl)cc(Cl)c1 ZINC001333549382 961717529 /nfs/dbraw/zinc/71/75/29/961717529.db2.gz BGWFNPQHTSQSKJ-FOSCPCJNSA-N -1 0 330.211 3.766 20 0 EHADRM CCn1c(C(=O)NC2(C(=O)[O-])CCCCCC2)cc2ccccc21 ZINC001573970536 961721316 /nfs/dbraw/zinc/72/13/16/961721316.db2.gz OGHBHMZXFGOZET-UHFFFAOYSA-N -1 0 328.412 3.569 20 0 EHADRM Cc1oc(CN(C)C(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1C(=O)[O-] ZINC000262485388 961747302 /nfs/dbraw/zinc/74/73/02/961747302.db2.gz LDNXMGADCXWHBS-SNVBAGLBSA-N -1 0 347.436 3.745 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C1(c2ccc(F)cc2)CC1 ZINC000262544756 961765842 /nfs/dbraw/zinc/76/58/42/961765842.db2.gz RSMCOZYAIGWJOR-UHFFFAOYSA-N -1 0 327.355 3.811 20 0 EHADRM C[C@@H]1CCc2c(C(=O)Nc3ccc(CC(=O)[O-])cc3)csc2C1 ZINC000262546996 961767560 /nfs/dbraw/zinc/76/75/60/961767560.db2.gz RVXVFPYKJPMBNQ-LLVKDONJSA-N -1 0 329.421 3.752 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)Nc2ccc(OC3CCCC3)c(F)c2)CC1 ZINC000262715366 961821221 /nfs/dbraw/zinc/82/12/21/961821221.db2.gz NDKAYIFAAPJHSU-JOCQHMNTSA-N -1 0 349.402 3.977 20 0 EHADRM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262722359 961826679 /nfs/dbraw/zinc/82/66/79/961826679.db2.gz QMTZATFJDUFSRO-WBAXXEDZSA-N -1 0 329.440 3.705 20 0 EHADRM CC(C)C[C@@H](C)CC(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001588846554 961881860 /nfs/dbraw/zinc/88/18/60/961881860.db2.gz RREDPQJKJXNYOH-SNVBAGLBSA-N -1 0 325.430 3.530 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000262828747 961893743 /nfs/dbraw/zinc/89/37/43/961893743.db2.gz BCCSZRKQEIOGFO-RYUDHWBXSA-N -1 0 345.370 3.502 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])c1 ZINC000262828422 961894220 /nfs/dbraw/zinc/89/42/20/961894220.db2.gz QPRGHMZIDNHEDS-LRDDRELGSA-N -1 0 341.860 3.825 20 0 EHADRM Cc1c(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)oc2c1c(C)ccc2C ZINC000262834691 961900418 /nfs/dbraw/zinc/90/04/18/961900418.db2.gz CLUXEEVHLXJVQB-GXTWGEPZSA-N -1 0 329.396 3.541 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000262848865 961915753 /nfs/dbraw/zinc/91/57/53/961915753.db2.gz BGKJOQRIBQSHBQ-KBPBESRZSA-N -1 0 337.847 3.622 20 0 EHADRM CC(C)C[C@@H](CNC(=O)NCCc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001588851604 961932416 /nfs/dbraw/zinc/93/24/16/961932416.db2.gz BCONKPUYGAKJSA-INIZCTEOSA-N -1 0 348.487 3.573 20 0 EHADRM C[C@H](CC(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000262871354 961943245 /nfs/dbraw/zinc/94/32/45/961943245.db2.gz BAAQWJYZKRQVOA-UHIISALHSA-N -1 0 343.345 3.521 20 0 EHADRM O=C([O-])C1(NC(=O)[C@H](c2ccncc2)C2CCCCC2)CCCCC1 ZINC001574549530 961967139 /nfs/dbraw/zinc/96/71/39/961967139.db2.gz APBYXHGWCAONSR-KRWDZBQOSA-N -1 0 344.455 3.649 20 0 EHADRM CCc1sc(C(=O)N[C@H](C)c2ccc(OCC(=O)[O-])cc2)cc1C ZINC000262907748 961986329 /nfs/dbraw/zinc/98/63/29/961986329.db2.gz DIZDVCICGXEVKK-GFCCVEGCSA-N -1 0 347.436 3.573 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H]2CCC[C@H](c3ccccc3)CC2)C1 ZINC001574557014 961993941 /nfs/dbraw/zinc/99/39/41/961993941.db2.gz XQYQARVVJXZTHM-FJIDUMEYSA-N -1 0 329.440 3.720 20 0 EHADRM CC[C@](CNC(=O)C[C@H](C)c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000262915489 961997098 /nfs/dbraw/zinc/99/70/98/961997098.db2.gz FBWKRJMJZBIONA-HRAATJIYSA-N -1 0 339.435 3.729 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000262927132 962011324 /nfs/dbraw/zinc/01/13/24/962011324.db2.gz ZVJBQQQHBOMNEI-UHFFFAOYSA-N -1 0 341.382 3.648 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC000262935020 962019397 /nfs/dbraw/zinc/01/93/97/962019397.db2.gz GGCWLUIYLXTRKP-LBPRGKRZSA-N -1 0 345.395 3.666 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)C1CCC(c2ccccc2)CC1 ZINC000262947894 962033058 /nfs/dbraw/zinc/03/30/58/962033058.db2.gz LCGJDDQDFCAEHI-JIARVOFWSA-N -1 0 341.451 3.672 20 0 EHADRM CCC1(C(=O)N[C@@H](C)c2ccc(OCC(=O)[O-])cc2)CCCCC1 ZINC000262971620 962058141 /nfs/dbraw/zinc/05/81/41/962058141.db2.gz ITTJPPHGWGYSMH-AWEZNQCLSA-N -1 0 333.428 3.688 20 0 EHADRM CC(C)=CCC[C@H](C)NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001339725327 962070294 /nfs/dbraw/zinc/07/02/94/962070294.db2.gz OMIWADMECGFJQO-YOEHRIQHSA-N -1 0 330.428 3.515 20 0 EHADRM Cc1cccc(C(C)(C)CNC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC001340476878 962096218 /nfs/dbraw/zinc/09/62/18/962096218.db2.gz LMQBWOSHLZWLHV-INIZCTEOSA-N -1 0 346.471 3.559 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc3ccc(C)cc3[nH]2)cc1 ZINC001340574668 962108833 /nfs/dbraw/zinc/10/88/33/962108833.db2.gz YROHOJAZXYMYJX-QGZVFWFLSA-N -1 0 336.391 3.731 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1)c1ccccc1 ZINC001574584714 962109811 /nfs/dbraw/zinc/10/98/11/962109811.db2.gz IMVITBKBOICQMA-QYZOEREBSA-N -1 0 337.419 3.588 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC001340795491 962113097 /nfs/dbraw/zinc/11/30/97/962113097.db2.gz SPKWMDQGHAMTHL-GXTWGEPZSA-N -1 0 331.318 3.714 20 0 EHADRM Cc1cccc(C)c1CN(CC(C)C)C(=O)NCCCCC(=O)[O-] ZINC001341432289 962138335 /nfs/dbraw/zinc/13/83/35/962138335.db2.gz LRIKVBHRKKQJNG-UHFFFAOYSA-N -1 0 334.460 3.726 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(C(=O)CCC2CCC2)CC1 ZINC000263033017 962150478 /nfs/dbraw/zinc/15/04/78/962150478.db2.gz ORKOWIZHLQWMFO-UHFFFAOYSA-N -1 0 329.440 3.746 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000263048047 962177726 /nfs/dbraw/zinc/17/77/26/962177726.db2.gz FEYPJOMQSRFILU-SJCJKPOMSA-N -1 0 329.396 3.903 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])cc1 ZINC000263080065 962223734 /nfs/dbraw/zinc/22/37/34/962223734.db2.gz UTQCHLAZCMCCFV-RISCZKNCSA-N -1 0 345.361 3.825 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1)C1CC1 ZINC001574616936 962229436 /nfs/dbraw/zinc/22/94/36/962229436.db2.gz LYEHYQGHSLDOOZ-MRXNPFEDSA-N -1 0 329.327 3.667 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1)C1CCCC1 ZINC001574617907 962238950 /nfs/dbraw/zinc/23/89/50/962238950.db2.gz YGVLIVOEECJQFU-INIZCTEOSA-N -1 0 341.411 3.660 20 0 EHADRM CC[C@@H](C)[C@@H](C(=O)NCc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000263099577 962250823 /nfs/dbraw/zinc/25/08/23/962250823.db2.gz CSOOFOZQZLBEJI-MLGOLLRUSA-N -1 0 331.437 3.892 20 0 EHADRM CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C[C@H](C)CC(=O)[O-] ZINC001345170871 962253821 /nfs/dbraw/zinc/25/38/21/962253821.db2.gz NFGYZQIEIJGWPL-NSHDSACASA-N -1 0 331.334 3.555 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)CC2CCCC2)C[C@H]1c1ccc(Cl)cc1 ZINC000263120571 962273914 /nfs/dbraw/zinc/27/39/14/962273914.db2.gz RGGZNEQDEMMCQQ-JKSUJKDBSA-N -1 0 335.831 3.547 20 0 EHADRM CC(C)Cc1ccccc1CNC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001588906805 962288806 /nfs/dbraw/zinc/28/88/06/962288806.db2.gz XVBDRGZHBGZJFD-UHFFFAOYSA-N -1 0 340.423 3.583 20 0 EHADRM CC(C)[C@H](CNC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)Cc1ccccc1 ZINC000263144166 962297688 /nfs/dbraw/zinc/29/76/88/962297688.db2.gz YOWKCQLADPBZCX-BZSNNMDCSA-N -1 0 331.456 3.509 20 0 EHADRM CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000263179087 962333259 /nfs/dbraw/zinc/33/32/59/962333259.db2.gz GYJPIVARHIGQDH-MLGOLLRUSA-N -1 0 345.370 3.810 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2scnc2C(C)(C)C)cc1 ZINC000263190813 962346355 /nfs/dbraw/zinc/34/63/55/962346355.db2.gz INFWCQOONVXDJA-JTQLQIEISA-N -1 0 332.425 3.881 20 0 EHADRM CN(C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccc(OCC(=O)[O-])cc1 ZINC000263208627 962364379 /nfs/dbraw/zinc/36/43/79/962364379.db2.gz ZJXOPWCEFWGPIP-ARFHVFGLSA-N -1 0 345.439 3.719 20 0 EHADRM CC(C)Oc1ccc(NC(=O)C2CC3(CC3(F)F)C2)c(C(=O)[O-])c1 ZINC001346383167 962369247 /nfs/dbraw/zinc/36/92/47/962369247.db2.gz NVRZNWBNMBPGJA-UHFFFAOYSA-N -1 0 339.338 3.546 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1 ZINC001347402203 962385125 /nfs/dbraw/zinc/38/51/25/962385125.db2.gz XZGGNNRUPOJQMO-UHFFFAOYSA-N -1 0 345.361 3.900 20 0 EHADRM CC(C)c1ccc(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000263260411 962399854 /nfs/dbraw/zinc/39/98/54/962399854.db2.gz GIMACGSXLAEMNU-HXUWFJFHSA-N -1 0 325.408 3.582 20 0 EHADRM CC(C)Nc1ccc(F)cc1NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001588927965 962440227 /nfs/dbraw/zinc/44/02/27/962440227.db2.gz KQDUSKYWUBOMAI-XQRVVYSFSA-N -1 0 332.331 3.589 20 0 EHADRM CCN(Cc1cccc(-c2ccncc2)c1)C(=O)CCCCC(=O)[O-] ZINC000263314460 962456166 /nfs/dbraw/zinc/45/61/66/962456166.db2.gz PWPSMUOCQKBTKR-UHFFFAOYSA-N -1 0 340.423 3.742 20 0 EHADRM CC[C@H](C)Oc1ccc(NC(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000263326125 962469776 /nfs/dbraw/zinc/46/97/76/962469776.db2.gz KLJXIENLMRUIMW-ZDUSSCGKSA-N -1 0 327.380 3.743 20 0 EHADRM O=C([O-])CCCCC(=O)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000263340196 962490471 /nfs/dbraw/zinc/49/04/71/962490471.db2.gz XFQSLBDSIVCGSS-UHFFFAOYSA-N -1 0 337.847 3.766 20 0 EHADRM CC(C)OCc1ccc(C(=O)OCc2ccc(C(=O)[O-])cc2)cc1 ZINC001588935609 962499290 /nfs/dbraw/zinc/49/92/90/962499290.db2.gz QEHAVLLAGBUFMV-UHFFFAOYSA-N -1 0 328.364 3.667 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cc1F ZINC000263349953 962503549 /nfs/dbraw/zinc/50/35/49/962503549.db2.gz VHQAWMPKPFQVPA-XBXGTLAGSA-N -1 0 345.345 3.533 20 0 EHADRM Cn1c(C(=O)[O-])ccc1[C@@H]1CCCCN1C(=O)/C=C/C1CCCC1 ZINC001349995986 962529938 /nfs/dbraw/zinc/52/99/38/962529938.db2.gz GHODGQXOTXTJSH-YHVDPYDOSA-N -1 0 330.428 3.523 20 0 EHADRM O=C([O-])CC1(C(=O)Nc2ncc(-c3cccc(F)c3)s2)CCC1 ZINC001574675531 962559489 /nfs/dbraw/zinc/55/94/89/962559489.db2.gz LQRQPDXHVJITPZ-UHFFFAOYSA-N -1 0 334.372 3.533 20 0 EHADRM O=C([O-])CC1(NC(=O)c2ccc3c(c2)CCCCC3=O)CCCCC1 ZINC001574678045 962565577 /nfs/dbraw/zinc/56/55/77/962565577.db2.gz MJYLESMTQHZRNW-UHFFFAOYSA-N -1 0 343.423 3.503 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CCCC[C@H]1c1ccc(C)cc1 ZINC000263405539 962569565 /nfs/dbraw/zinc/56/95/65/962569565.db2.gz HOMGJYWJAMSSKP-INIZCTEOSA-N -1 0 341.407 3.891 20 0 EHADRM CC(=O)N(c1ccc(NCc2ccc(C(=O)[O-])cc2)cc1)[C@@H]1C[C@@H]1C ZINC000263421609 962591675 /nfs/dbraw/zinc/59/16/75/962591675.db2.gz PBJZEDVSOHIABP-ORAYPTAESA-N -1 0 338.407 3.758 20 0 EHADRM C[C@@H](NC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(F)c2ccccc21 ZINC000263430808 962605675 /nfs/dbraw/zinc/60/56/75/962605675.db2.gz YVNVHAVHQMTNLL-GFCCVEGCSA-N -1 0 344.386 3.546 20 0 EHADRM CC(C)c1cc(NC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)n[nH]1 ZINC001588962365 962624302 /nfs/dbraw/zinc/62/43/02/962624302.db2.gz APSKTSVZTIIOMV-UHFFFAOYSA-N -1 0 340.742 3.668 20 0 EHADRM Cc1c(NC2CCC(C(=O)[O-])CC2)cccc1OCC(F)(F)F ZINC000263444570 962627057 /nfs/dbraw/zinc/62/70/57/962627057.db2.gz FNAQNZDMMKWYCU-UHFFFAOYSA-N -1 0 331.334 3.991 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c(O)c1 ZINC001588962689 962627528 /nfs/dbraw/zinc/62/75/28/962627528.db2.gz JTVPTSFEVISMIZ-DLBZAZTESA-N -1 0 339.391 3.559 20 0 EHADRM CC(C)c1ccc(CCCNC(=O)Nc2ccnc(C(=O)[O-])c2)cc1 ZINC001588966553 962648046 /nfs/dbraw/zinc/64/80/46/962648046.db2.gz CDRVYICGCMOVCG-UHFFFAOYSA-N -1 0 341.411 3.658 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)Nc2ccc(OCC3CC3)cc2)C1 ZINC001574692399 962650198 /nfs/dbraw/zinc/65/01/98/962650198.db2.gz YYCCXIAMROWVFG-CQSZACIVSA-N -1 0 346.427 3.584 20 0 EHADRM CC(C)c1ccc2c(c1)CCN(C(=O)[C@]1(C(=O)[O-])CC=CCC1)C2 ZINC001588968523 962657194 /nfs/dbraw/zinc/65/71/94/962657194.db2.gz KOTCIUBWXSWWSA-FQEVSTJZSA-N -1 0 327.424 3.506 20 0 EHADRM CC(C)c1ccc2occ(C(=O)N3CC[C@@H](C)[C@H](C(=O)[O-])C3)c2c1 ZINC001588969388 962663513 /nfs/dbraw/zinc/66/35/13/962663513.db2.gz BWCXJFSOOJESPI-IUODEOHRSA-N -1 0 329.396 3.739 20 0 EHADRM C[C@H](C(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-])c1ccc(Cl)s1 ZINC000263500058 962683157 /nfs/dbraw/zinc/68/31/57/962683157.db2.gz YSZDPCYDROQDJA-AXFHLTTASA-N -1 0 329.849 3.655 20 0 EHADRM O=C([O-])CCc1cccc(NCc2cc(Cl)cc3c2OCC3)c1 ZINC000263502168 962685443 /nfs/dbraw/zinc/68/54/43/962685443.db2.gz LAZPXPNHAXETKN-UHFFFAOYSA-N -1 0 331.799 3.904 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1 ZINC001354040790 962693385 /nfs/dbraw/zinc/69/33/85/962693385.db2.gz IHMIDKSPSWFCHG-UHFFFAOYSA-N -1 0 342.317 3.560 20 0 EHADRM CCCCc1oc2ccccc2c1CN(C)C(=O)NCCCC(=O)[O-] ZINC000263511344 962693932 /nfs/dbraw/zinc/69/39/32/962693932.db2.gz YVSCDYBCBLQYSZ-UHFFFAOYSA-N -1 0 346.427 3.782 20 0 EHADRM CC(C)c1nc2cc(NC(=O)N3C[C@@H](C(=O)[O-])CC[C@H]3C)ccc2o1 ZINC001588975638 962694659 /nfs/dbraw/zinc/69/46/59/962694659.db2.gz YXFIBUAYJRZCLQ-NEPJUHHUSA-N -1 0 345.399 3.668 20 0 EHADRM O=C([O-])CCSCc1cc(Br)cc2cccnc21 ZINC001574710028 962700925 /nfs/dbraw/zinc/70/09/25/962700925.db2.gz LCBQENYTFZBCFF-UHFFFAOYSA-N -1 0 326.215 3.705 20 0 EHADRM O=C([O-])C1CCN(c2ccc3c(Cl)ccc(Cl)c3n2)CC1 ZINC000263518805 962701669 /nfs/dbraw/zinc/70/16/69/962701669.db2.gz PXCJHVOEQXVWOY-UHFFFAOYSA-N -1 0 325.195 3.843 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)CCCC2CCOCC2)cc1 ZINC000263540797 962719551 /nfs/dbraw/zinc/71/95/51/962719551.db2.gz QTIZVHVFCJGOGR-UHFFFAOYSA-N -1 0 333.428 3.584 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000263542335 962719587 /nfs/dbraw/zinc/71/95/87/962719587.db2.gz ROUMEROXAJXMPA-VAMGGRTRSA-N -1 0 349.430 3.722 20 0 EHADRM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)C[C@H]1CCCCC1(C)C ZINC000263553933 962725959 /nfs/dbraw/zinc/72/59/59/962725959.db2.gz XWRSQLZLIQOTKH-MRXNPFEDSA-N -1 0 347.455 3.715 20 0 EHADRM CC[C@H]1Cc2ccccc2CN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000263569830 962734536 /nfs/dbraw/zinc/73/45/36/962734536.db2.gz HTOWQKPCXPYKCN-IBGZPJMESA-N -1 0 337.419 3.681 20 0 EHADRM COc1cc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)ccc1Cl ZINC001574177185 962794477 /nfs/dbraw/zinc/79/44/77/962794477.db2.gz NTSHNTMRFWXOIE-CYBMUJFWSA-N -1 0 345.782 3.567 20 0 EHADRM O=C([O-])CCCC(=O)Nc1ccc(-c2nc3cc(F)ccc3[nH]2)cc1 ZINC000299839595 962941798 /nfs/dbraw/zinc/94/17/98/962941798.db2.gz YWHZUZQWOGSYMT-UHFFFAOYSA-N -1 0 341.342 3.562 20 0 EHADRM C[C@H](OCc1ccccc1)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000309615082 963358311 /nfs/dbraw/zinc/35/83/11/963358311.db2.gz DRLDGDQDZQLTCB-NSHDSACASA-N -1 0 333.771 3.582 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccccc1OCc1ccccc1 ZINC000310344933 963400894 /nfs/dbraw/zinc/40/08/94/963400894.db2.gz NOHXFCYZHYPPRO-CQSZACIVSA-N -1 0 327.380 3.705 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Cc1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000314482913 963759035 /nfs/dbraw/zinc/75/90/35/963759035.db2.gz AFODYVHLSJTYNF-HNNXBMFYSA-N -1 0 344.238 3.686 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCCc2cccs2)c(F)cc1F ZINC000314564567 963770401 /nfs/dbraw/zinc/77/04/01/963770401.db2.gz BTNSSDYYXDDRKZ-UHFFFAOYSA-N -1 0 325.336 3.686 20 0 EHADRM CC(C)C(=O)Nc1ccc(N[C@@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC000314599160 963775184 /nfs/dbraw/zinc/77/51/84/963775184.db2.gz CNFCLEBUJZWIDQ-JTQLQIEISA-N -1 0 333.413 3.609 20 0 EHADRM Cc1cccc(Br)c1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000314643821 963782846 /nfs/dbraw/zinc/78/28/46/963782846.db2.gz VDUAHGATRUFLJJ-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCc2ccc(Cl)cc2Cl)nc1 ZINC000314680102 963790430 /nfs/dbraw/zinc/79/04/30/963790430.db2.gz RFRVDGPQPZGUIB-UHFFFAOYSA-N -1 0 339.178 3.658 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccc(Cl)s1 ZINC000315392864 963894298 /nfs/dbraw/zinc/89/42/98/963894298.db2.gz SEQUPQXAZXDQSJ-QWRGUYRKSA-N -1 0 344.864 3.749 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)c2cc3sccc3s2)c1 ZINC000316408111 964009401 /nfs/dbraw/zinc/00/94/01/964009401.db2.gz VGPIUOXXHSINJR-UHFFFAOYSA-N -1 0 331.418 3.634 20 0 EHADRM O=C([O-])[C@@]1(C(F)(F)F)CC[N@@H+]([C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000316936248 964076666 /nfs/dbraw/zinc/07/66/66/964076666.db2.gz GFTQKKGSFLYABF-TZMCWYRMSA-N -1 0 333.737 3.666 20 0 EHADRM CC[C@H](NC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1)c1ccc(Cl)s1 ZINC000263327074 967871311 /nfs/dbraw/zinc/87/13/11/967871311.db2.gz KTUIMMPKPOZKNT-AXFHLTTASA-N -1 0 344.864 3.605 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)C2CCC(C(F)(F)F)CC2)c1 ZINC000322600458 968019237 /nfs/dbraw/zinc/01/92/37/968019237.db2.gz WZQGTQZMSDGXAH-UHFFFAOYSA-N -1 0 329.318 3.621 20 0 EHADRM CC(C)C[C@H](CNC(=O)CCc1ccc([C@@H]2C[C@H]2C)o1)CC(=O)[O-] ZINC000325079277 968036404 /nfs/dbraw/zinc/03/64/04/968036404.db2.gz YHJDPVSVBYLAQO-IJEWVQPXSA-N -1 0 335.444 3.589 20 0 EHADRM CC(C)n1ccnc1CN1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000363885533 968056303 /nfs/dbraw/zinc/05/63/03/968056303.db2.gz IINGHVQRKROYGP-UHFFFAOYSA-N -1 0 327.428 3.542 20 0 EHADRM CCCOc1cc(C)ccc1NC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000518735482 968392262 /nfs/dbraw/zinc/39/22/62/968392262.db2.gz COGXUMXWLPFKMA-AWEZNQCLSA-N -1 0 334.416 3.502 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)C2(c3ccc(F)cc3)CCCCC2)C1 ZINC000532875707 968400500 /nfs/dbraw/zinc/40/05/00/968400500.db2.gz CHGAQIOBXQWZLL-HNNXBMFYSA-N -1 0 347.430 3.741 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc3cccc(Cl)c3s2)C1 ZINC000566973838 968431322 /nfs/dbraw/zinc/43/13/22/968431322.db2.gz IHDYMIKAPSVLGS-ONGXEEELSA-N -1 0 337.828 3.738 20 0 EHADRM C[C@H]1CCN(C(=O)C2(c3cccs3)CCCCC2)C[C@H]1C(=O)[O-] ZINC000573921447 968453228 /nfs/dbraw/zinc/45/32/28/968453228.db2.gz YLHDJDSRQVKOJX-UONOGXRCSA-N -1 0 335.469 3.519 20 0 EHADRM Cc1ccc(NC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc1C(F)(F)F ZINC000580193385 968472585 /nfs/dbraw/zinc/47/25/85/968472585.db2.gz ZMQXEQQKCWOMIJ-BXKDBHETSA-N -1 0 344.333 3.588 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cccc(OC3CCCC3)c2)CC[C@H]1C(=O)[O-] ZINC000630556880 968535389 /nfs/dbraw/zinc/53/53/89/968535389.db2.gz LXZCEVQSQQGLKJ-CXAGYDPISA-N -1 0 346.427 3.583 20 0 EHADRM Cc1nc(NC(=O)NC2(CC(=O)[O-])CCC2)ccc1-c1ccccc1 ZINC000649544301 968593515 /nfs/dbraw/zinc/59/35/15/968593515.db2.gz PXTDPOCEPDSERU-UHFFFAOYSA-N -1 0 339.395 3.576 20 0 EHADRM C[C@@](CNC(=O)N(C1CC1)C1CCCCC1)(C(=O)[O-])c1ccccc1 ZINC000652111943 968627051 /nfs/dbraw/zinc/62/70/51/968627051.db2.gz IANQEFYFCPKTKO-FQEVSTJZSA-N -1 0 344.455 3.536 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1cccc(Br)c1C ZINC000653297514 968644054 /nfs/dbraw/zinc/64/40/54/968644054.db2.gz ULOBVMDZESBJGI-UHFFFAOYSA-N -1 0 328.206 3.587 20 0 EHADRM CC[C@H](C(=O)NC[C@@H](C(=O)[O-])C(C)C)c1cccc(C(F)(F)F)c1 ZINC000655573651 968683590 /nfs/dbraw/zinc/68/35/90/968683590.db2.gz YAOPVBZQSFDNKX-UONOGXRCSA-N -1 0 345.361 3.672 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])Cc1csc(Cc2ccccc2)n1 ZINC000662225035 968758985 /nfs/dbraw/zinc/75/89/85/968758985.db2.gz HQXJUUJDGXDJDU-UHFFFAOYSA-N -1 0 332.469 3.667 20 0 EHADRM CC[C@@H](C)[C@H](C)NC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666522928 968839139 /nfs/dbraw/zinc/83/91/39/968839139.db2.gz MQXMCKAZDAQZQJ-KGLIPLIRSA-N -1 0 332.444 3.708 20 0 EHADRM CN(CCC(=O)[O-])C(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000746375881 969155523 /nfs/dbraw/zinc/15/55/23/969155523.db2.gz WJODSBUJKHASLV-UHFFFAOYSA-N -1 0 340.404 3.510 20 0 EHADRM C[C@@H]1CCN(C(=O)c2sccc2-c2ccc(F)cc2)C[C@H]1C(=O)[O-] ZINC000843334514 969238756 /nfs/dbraw/zinc/23/87/56/969238756.db2.gz AFCCMSUQMACSGX-IAQYHMDHSA-N -1 0 347.411 3.737 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000864132125 969320381 /nfs/dbraw/zinc/32/03/81/969320381.db2.gz KXJOKMLWYDXPCN-BBWFWOEESA-N -1 0 333.403 3.565 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1c(Cl)cccc1C(F)(F)F)C(=O)[O-] ZINC000901459320 969432035 /nfs/dbraw/zinc/43/20/35/969432035.db2.gz KMSSZLQYECLXTP-SNVBAGLBSA-N -1 0 337.725 3.588 20 0 EHADRM Cc1ccccc1C[C@@H]1CCCN1C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC000901836947 969481974 /nfs/dbraw/zinc/48/19/74/969481974.db2.gz UWNXCFSGFPRDON-JJEJIETFSA-N -1 0 339.391 3.533 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1 ZINC000902701905 969557607 /nfs/dbraw/zinc/55/76/07/969557607.db2.gz OBXRKQCZNROVHD-HZMBPMFUSA-N -1 0 333.281 3.699 20 0 EHADRM O=C([O-])CC[C@H]1Cc2ccccc2N(C(=O)c2ccc(Cl)o2)C1 ZINC000902827777 969571365 /nfs/dbraw/zinc/57/13/65/969571365.db2.gz PCWBWNTVQMFJAE-NSHDSACASA-N -1 0 333.771 3.617 20 0 EHADRM CCCOc1cccc(NC(=O)N2CCC[C@](CC)(C(=O)[O-])C2)c1 ZINC000925935739 969656004 /nfs/dbraw/zinc/65/60/04/969656004.db2.gz ZDKFYJPDXVTGAP-SFHVURJKSA-N -1 0 334.416 3.584 20 0 EHADRM Cc1cc([C@H](C)NC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c(C)o1 ZINC001341308020 969748892 /nfs/dbraw/zinc/74/88/92/969748892.db2.gz NOXCRLVSIPYEBZ-YMRXKLBXSA-N -1 0 342.395 3.570 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc3ccc(Cl)cc3n2)C1 ZINC001342720096 969755393 /nfs/dbraw/zinc/75/53/93/969755393.db2.gz AGGBLGVBYYEZJE-GOSISDBHSA-N -1 0 346.814 3.605 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC001342720260 969755841 /nfs/dbraw/zinc/75/58/41/969755841.db2.gz GFPSYBDDFGGLTA-HNNXBMFYSA-N -1 0 347.308 3.562 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N[C@H](C(=O)[O-])c3ccccc3)c(Cl)c2c1 ZINC001347955250 969766544 /nfs/dbraw/zinc/76/65/44/969766544.db2.gz SNOMHFDQGDRARX-HNNXBMFYSA-N -1 0 342.782 3.685 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C1 ZINC000317752290 970384650 /nfs/dbraw/zinc/38/46/50/970384650.db2.gz AEZZYAMMEQYCGI-CQSZACIVSA-N -1 0 349.189 3.851 20 0 EHADRM CSCCCCCCNC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000318588204 970449405 /nfs/dbraw/zinc/44/94/05/970449405.db2.gz DNQHKJISMFBKRH-UHFFFAOYSA-N -1 0 328.409 3.569 20 0 EHADRM C[C@H](C(=O)[O-])c1noc(-c2csc(Cc3ccc(Cl)cc3)n2)n1 ZINC001609718455 970498078 /nfs/dbraw/zinc/49/80/78/970498078.db2.gz SEJBEJWZAKDNAQ-QMMMGPOBSA-N -1 0 349.799 3.625 20 0 EHADRM Cc1sc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(C(=O)[O-])c1C ZINC000319185482 970511232 /nfs/dbraw/zinc/51/12/32/970511232.db2.gz AWNWXMHGLRLRGQ-UHFFFAOYSA-N -1 0 334.353 3.532 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)[C@H](C)Oc2cccc(F)c2)s1 ZINC000320402456 970659540 /nfs/dbraw/zinc/65/95/40/970659540.db2.gz LYZBHELZOVJSSC-VIFPVBQESA-N -1 0 337.372 3.554 20 0 EHADRM COc1ccc2[nH]c(SCc3ccc(C(=O)[O-])cc3F)nc2c1 ZINC000320548218 970677698 /nfs/dbraw/zinc/67/76/98/970677698.db2.gz LOZOFMUABYLNKJ-UHFFFAOYSA-N -1 0 332.356 3.701 20 0 EHADRM Cc1cc(OCC(=O)Nc2ccc(F)cc2C(=O)[O-])ccc1Cl ZINC000320728311 970707296 /nfs/dbraw/zinc/70/72/96/970707296.db2.gz WUXQHJNDBHTJEY-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000320806508 970717129 /nfs/dbraw/zinc/71/71/29/970717129.db2.gz NHAMXTSRYSIYFT-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM Cc1cccc(Cl)c1NC(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000320980725 970733805 /nfs/dbraw/zinc/73/38/05/970733805.db2.gz PTKHOXYJWFUHBC-ZDUSSCGKSA-N -1 0 332.787 3.638 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C[C@H]1C ZINC000321056920 970739286 /nfs/dbraw/zinc/73/92/86/970739286.db2.gz YLWOWLHFOAJHOE-BBBLOLIVSA-N -1 0 326.343 3.609 20 0 EHADRM CSCc1ccc(NC(=O)NCc2ccccc2C(=O)[O-])cc1 ZINC001604958592 972541070 /nfs/dbraw/zinc/54/10/70/972541070.db2.gz WBNSGNCCAWTCAM-UHFFFAOYSA-N -1 0 330.409 3.570 20 0 EHADRM CCc1ccc(NC(=O)CCc2c[nH]c3ccccc23)c(C(=O)[O-])c1 ZINC000392951792 972546469 /nfs/dbraw/zinc/54/64/69/972546469.db2.gz DGPOBIHQPLIWOX-UHFFFAOYSA-N -1 0 336.391 4.000 20 0 EHADRM O=C([O-])c1csc(SCc2cc(Cl)c3c(c2)OCCO3)n1 ZINC000393359526 972590337 /nfs/dbraw/zinc/59/03/37/972590337.db2.gz ZYZDSLQMTDELEX-UHFFFAOYSA-N -1 0 343.813 3.558 20 0 EHADRM CN(CCOc1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001604177528 972598134 /nfs/dbraw/zinc/59/81/34/972598134.db2.gz HRMHFSSQTIVIFT-UHFFFAOYSA-N -1 0 348.786 3.581 20 0 EHADRM O=C([O-])c1cccnc1NC(=O)c1ccccc1CCC(F)(F)F ZINC001605877404 972653301 /nfs/dbraw/zinc/65/33/01/972653301.db2.gz LKLOTZYUQOMQPV-UHFFFAOYSA-N -1 0 338.285 3.527 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NCC1(c2cccs2)CCCCC1 ZINC001603323079 972655423 /nfs/dbraw/zinc/65/54/23/972655423.db2.gz VEAAFXRZZHBMKO-GOSISDBHSA-N -1 0 335.469 3.567 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1cc(-c2ccccc2)ns1)C1CCCC1 ZINC001605901432 972735988 /nfs/dbraw/zinc/73/59/88/972735988.db2.gz PLABZUZCIAPDPF-OAHLLOKOSA-N -1 0 330.409 3.640 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1ccc(-c2cccc(F)c2)c(F)c1)C1CC1 ZINC001605901732 972738880 /nfs/dbraw/zinc/73/88/80/972738880.db2.gz XSBALQSNUMHNFX-INIZCTEOSA-N -1 0 331.318 3.681 20 0 EHADRM Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC001605141486 972820833 /nfs/dbraw/zinc/82/08/33/972820833.db2.gz ZJELMVBOMDRUPN-OAHLLOKOSA-N -1 0 348.487 3.506 20 0 EHADRM Cc1cc(C(F)(F)F)ccc1CNC(=O)c1cccc(C(=O)[O-])c1 ZINC001605145956 972825123 /nfs/dbraw/zinc/82/51/23/972825123.db2.gz ROBFYGKTFHGXRJ-UHFFFAOYSA-N -1 0 337.297 3.642 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N[C@@H](C)Cc2cccs2)cc1 ZINC000396346161 972857324 /nfs/dbraw/zinc/85/73/24/972857324.db2.gz BCNGEFBRWJCXDB-NWDGAFQWSA-N -1 0 332.425 3.689 20 0 EHADRM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000396367692 972866855 /nfs/dbraw/zinc/86/68/55/972866855.db2.gz ANYCBGFONLOFAM-RYUDHWBXSA-N -1 0 347.798 3.934 20 0 EHADRM O=C([O-])C1(CCSc2nnc(C3CC3)n2Cc2ccco2)CCC1 ZINC001605949880 972905479 /nfs/dbraw/zinc/90/54/79/972905479.db2.gz DQBIESDSYCRBCZ-UHFFFAOYSA-N -1 0 347.440 3.534 20 0 EHADRM CCOc1ccccc1CCC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000396609549 972921470 /nfs/dbraw/zinc/92/14/70/972921470.db2.gz GRLAYRPQVIJWPR-CQSZACIVSA-N -1 0 341.407 3.845 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000396634649 972926074 /nfs/dbraw/zinc/92/60/74/972926074.db2.gz OBTPROGIZBIZTE-SECBINFHSA-N -1 0 348.742 3.689 20 0 EHADRM Cc1cc(NC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)cc(C(F)(F)F)c1 ZINC001605201115 972929840 /nfs/dbraw/zinc/92/98/40/972929840.db2.gz ZVRIKQWFMJMMTQ-GHMZBOCLSA-N -1 0 344.333 3.731 20 0 EHADRM CC(C)C[C@H]1CCCN1C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000396757629 972935885 /nfs/dbraw/zinc/93/58/85/972935885.db2.gz FKTJYWNQNRZGAS-LLVKDONJSA-N -1 0 326.343 3.705 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])s1 ZINC001605216559 972960403 /nfs/dbraw/zinc/96/04/03/972960403.db2.gz DEMMBTRNWDZMMZ-VIFPVBQESA-N -1 0 349.399 3.667 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)NCCCC2CCCCC2)Cc2ccccc21 ZINC001606035240 973134797 /nfs/dbraw/zinc/13/47/97/973134797.db2.gz FADFPBHCGPRIAF-GOSISDBHSA-N -1 0 344.455 3.741 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2ccc(C(F)F)cc2F)Cc2ccccc21 ZINC001606041426 973144313 /nfs/dbraw/zinc/14/43/13/973144313.db2.gz MTWJGPWBRGETDV-AWEZNQCLSA-N -1 0 349.308 3.588 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC001605320188 973152708 /nfs/dbraw/zinc/15/27/08/973152708.db2.gz CCTNYTSTAIFQNL-CMPLNLGQSA-N -1 0 345.317 3.522 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)Nc2csc(-c3ccccc3)n2)C1 ZINC001606089648 973254865 /nfs/dbraw/zinc/25/48/65/973254865.db2.gz YINHZLCGCLLMQU-LBPRGKRZSA-N -1 0 345.424 3.529 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)CCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000401433613 973364504 /nfs/dbraw/zinc/36/45/04/973364504.db2.gz IYJZRFKTBWLXGG-CYBMUJFWSA-N -1 0 346.254 3.932 20 0 EHADRM CC[C@H](C(=O)N1CCCC[C@@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001603487939 973415296 /nfs/dbraw/zinc/41/52/96/973415296.db2.gz FHSXWYWGXGXZHA-UONOGXRCSA-N -1 0 343.345 3.665 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC001603500380 973466432 /nfs/dbraw/zinc/46/64/32/973466432.db2.gz IHQJTYQYHPCPKF-ZDUSSCGKSA-N -1 0 342.317 3.655 20 0 EHADRM Cc1noc(-c2ccccc2)c1NC(=O)Cc1ccccc1C(=O)[O-] ZINC001605445617 973514545 /nfs/dbraw/zinc/51/45/45/973514545.db2.gz GQGPPTKSPVAWLW-UHFFFAOYSA-N -1 0 336.347 3.529 20 0 EHADRM Cc1sc(-n2cccc2)c(C(=O)Nc2cc(C(=O)[O-])ccn2)c1C ZINC001605460037 973552236 /nfs/dbraw/zinc/55/22/36/973552236.db2.gz INDSOVALZGZKSG-UHFFFAOYSA-N -1 0 341.392 3.501 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)O[C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC001603527116 973574014 /nfs/dbraw/zinc/57/40/14/973574014.db2.gz VRNITLSYLOBOKF-LBPRGKRZSA-N -1 0 348.374 3.507 20 0 EHADRM CC[C@@H](CNC(=O)NC1(c2cccc(Cl)c2)CCCC1)C(=O)[O-] ZINC001603558625 973650441 /nfs/dbraw/zinc/65/04/41/973650441.db2.gz APKUXSNYKFMDEE-LBPRGKRZSA-N -1 0 338.835 3.519 20 0 EHADRM O=C([O-])COc1ccc(C(=O)Nc2cccc(C3CCC3)c2)cc1 ZINC001606285210 973678599 /nfs/dbraw/zinc/67/85/99/973678599.db2.gz PSHOKOXTIUWMMN-UHFFFAOYSA-N -1 0 325.364 3.670 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)NC2C[C@H]3CC[C@@H](C2)S3)c1 ZINC000403812018 973690155 /nfs/dbraw/zinc/69/01/55/973690155.db2.gz MJOSTZGCIXAOFW-YHWZYXNKSA-N -1 0 340.832 3.586 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C2(c3cccc(F)c3)CCCC2)C1 ZINC001603594114 973817057 /nfs/dbraw/zinc/81/70/57/973817057.db2.gz PFHHIWXJAWCZTD-LJQANCHMSA-N -1 0 347.430 3.741 20 0 EHADRM COc1cc(C)c(C)cc1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001604695317 973892244 /nfs/dbraw/zinc/89/22/44/973892244.db2.gz MCIQZTYERIKCSM-UHFFFAOYSA-N -1 0 328.368 3.583 20 0 EHADRM O=C([O-])c1ccc(-c2nc(-c3ccc(C(F)(F)F)s3)no2)nc1 ZINC001606466057 973937677 /nfs/dbraw/zinc/93/76/77/973937677.db2.gz QWJPWKZFUXIXRF-UHFFFAOYSA-N -1 0 341.270 3.577 20 0 EHADRM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCCCCCC(=O)[O-] ZINC000414630529 973944017 /nfs/dbraw/zinc/94/40/17/973944017.db2.gz UPZPCPNCTHTOEP-UHFFFAOYSA-N -1 0 347.242 3.780 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(C(F)F)c2Cl)nc1 ZINC001606478135 973954310 /nfs/dbraw/zinc/95/43/10/973954310.db2.gz AUPCIQQLIWRHJZ-UHFFFAOYSA-N -1 0 326.686 3.623 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1ccc(-c2ccccn2)cc1 ZINC000417774945 973969000 /nfs/dbraw/zinc/96/90/00/973969000.db2.gz LWGOAFPTRSOORE-UHFFFAOYSA-N -1 0 327.384 3.515 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2F)c(OC(C)C)c1 ZINC001604763969 973983454 /nfs/dbraw/zinc/98/34/54/973983454.db2.gz UIRYEYLLNMDENT-UHFFFAOYSA-N -1 0 347.342 3.572 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CC3(CCCC3)[C@@H]2c2ccco2)c1 ZINC001606504340 973996377 /nfs/dbraw/zinc/99/63/77/973996377.db2.gz RAFODABOJMCEGX-INIZCTEOSA-N -1 0 325.364 3.735 20 0 EHADRM CCCCCOc1ccc(C(=O)N2[C@H](C)CCC[C@@H]2C(=O)[O-])cc1 ZINC001603645399 973998447 /nfs/dbraw/zinc/99/84/47/973998447.db2.gz DYFISFODCVGATP-RHSMWYFYSA-N -1 0 333.428 3.723 20 0 EHADRM Cc1c(Cl)cc(F)c(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])c1F ZINC000424377298 974022735 /nfs/dbraw/zinc/02/27/35/974022735.db2.gz DFNWCEIIPHGJKZ-SECBINFHSA-N -1 0 348.777 3.795 20 0 EHADRM O=C([O-])Cc1ccccc1C[NH2+]Cc1ccccc1OC(F)(F)F ZINC000426692304 974044861 /nfs/dbraw/zinc/04/48/61/974044861.db2.gz QOYFAHJYCANDJA-UHFFFAOYSA-N -1 0 339.313 3.502 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)Nc2cc(COC)cc(C(=O)[O-])c2)cc1 ZINC000427664757 974052774 /nfs/dbraw/zinc/05/27/74/974052774.db2.gz KBQZBCVAPBCIAV-CYBMUJFWSA-N -1 0 341.407 3.836 20 0 EHADRM CC(C)c1ccsc1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000427665177 974053349 /nfs/dbraw/zinc/05/33/49/974053349.db2.gz LPKZVSHBVKREBT-JKSUJKDBSA-N -1 0 343.448 3.812 20 0 EHADRM COCc1cc(NC(=O)CSc2ccc(C)cc2)cc(C(=O)[O-])c1 ZINC000427679043 974053803 /nfs/dbraw/zinc/05/38/03/974053803.db2.gz OQUNQGHXZKPNOK-UHFFFAOYSA-N -1 0 345.420 3.570 20 0 EHADRM CCCc1ccc(C(=O)Nc2cc(COC)cc(C(=O)[O-])c2)cc1 ZINC000427675292 974054340 /nfs/dbraw/zinc/05/43/40/974054340.db2.gz WWQXIGHFUHTYQY-UHFFFAOYSA-N -1 0 327.380 3.736 20 0 EHADRM O=C(/C=C/c1ccc(C(=O)[O-])o1)NCCCCCc1ccccc1 ZINC001605660705 974063587 /nfs/dbraw/zinc/06/35/87/974063587.db2.gz ZHERRHVNSIKPFT-ACCUITESSA-N -1 0 327.380 3.520 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC000431450191 974065315 /nfs/dbraw/zinc/06/53/15/974065315.db2.gz CRPWEUZUGXAJDC-UHFFFAOYSA-N -1 0 339.391 3.698 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)Cc1csc2ccc(Cl)cc12)C(=O)[O-] ZINC000431465168 974066982 /nfs/dbraw/zinc/06/69/82/974066982.db2.gz MTEHOJGBSAHKHW-BJOHPYRUSA-N -1 0 339.844 3.713 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1cccc(-c2ccoc2)c1 ZINC000431466183 974067052 /nfs/dbraw/zinc/06/70/52/974067052.db2.gz RZXVZFNBWKVHRV-IBGZPJMESA-N -1 0 347.370 3.771 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)OCc2ccc(OCC3CC3)cc2)o1 ZINC001605667651 974067175 /nfs/dbraw/zinc/06/71/75/974067175.db2.gz HCEOLSOYXGIYBI-CSKARUKUSA-N -1 0 342.347 3.523 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)Oc2cccc(C(F)(F)F)c2)o1 ZINC001605668404 974070796 /nfs/dbraw/zinc/07/07/96/974070796.db2.gz RJGOJHLVQYYPSE-FNORWQNLSA-N -1 0 326.226 3.615 20 0 EHADRM Cc1cccc2c(CCC(=O)N(C)C3(C(=O)[O-])CCCCC3)c[nH]c21 ZINC000431973116 974078603 /nfs/dbraw/zinc/07/86/03/974078603.db2.gz MVJJRFCQGYNKMI-UHFFFAOYSA-N -1 0 342.439 3.655 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccc(F)cc1F ZINC000431998614 974082563 /nfs/dbraw/zinc/08/25/63/974082563.db2.gz NGZIEAOJIWMFPI-NSHDSACASA-N -1 0 333.334 3.724 20 0 EHADRM CC(C)[C@@H](NC(=O)c1ccc(C(=O)[O-])o1)c1ccc(Cl)cc1F ZINC000432095919 974085660 /nfs/dbraw/zinc/08/56/60/974085660.db2.gz ISHYDWCLJAWREW-CQSZACIVSA-N -1 0 339.750 3.897 20 0 EHADRM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000432100930 974086916 /nfs/dbraw/zinc/08/69/16/974086916.db2.gz WGOAEALNINIKJE-PIGZYNQJSA-N -1 0 327.355 3.577 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)c1ccc(C(=O)[O-])o1)CCC2 ZINC000432130013 974091107 /nfs/dbraw/zinc/09/11/07/974091107.db2.gz OHRMDVGHMBUJKQ-OAHLLOKOSA-N -1 0 327.380 3.909 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC000439808889 974110318 /nfs/dbraw/zinc/11/03/18/974110318.db2.gz JGOSFPNQOCGPTF-GTNSWQLSSA-N -1 0 345.345 3.886 20 0 EHADRM CCN(C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)[C@@H](C)C(=O)[O-] ZINC001603714486 974125995 /nfs/dbraw/zinc/12/59/95/974125995.db2.gz JPAXLPNCLKNOGE-NSHDSACASA-N -1 0 349.333 3.692 20 0 EHADRM CC(C)C[C@@H](C(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000449142759 974145655 /nfs/dbraw/zinc/14/56/55/974145655.db2.gz UMRRBRRMUSRBCI-SJLPKXTDSA-N -1 0 331.456 3.920 20 0 EHADRM O=C([O-])c1ccccc1-c1ccccc1C(=O)NC[C@H]1CCCS1 ZINC000455850387 974153273 /nfs/dbraw/zinc/15/32/73/974153273.db2.gz SDEMABJNEMPCTQ-CYBMUJFWSA-N -1 0 341.432 3.677 20 0 EHADRM CCOc1cc(Cl)ccc1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000478853043 974212400 /nfs/dbraw/zinc/21/24/00/974212400.db2.gz LGWCVMRYKUHVBQ-UHFFFAOYSA-N -1 0 337.734 3.828 20 0 EHADRM C[C@@H](CC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-])C1CCCCC1 ZINC000486014567 974242970 /nfs/dbraw/zinc/24/29/70/974242970.db2.gz GPTCTWMJFBCJNR-LIRRHRJNSA-N -1 0 329.440 3.804 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000515672593 974301683 /nfs/dbraw/zinc/30/16/83/974301683.db2.gz FIULKWOYHNTKDK-WBVHZDCISA-N -1 0 333.428 3.628 20 0 EHADRM CCO[C@H]1C[C@@H](NC(=O)C2(C(=O)[O-])CCCCCC2)C1(CC)CC ZINC001603825196 974320240 /nfs/dbraw/zinc/32/02/40/974320240.db2.gz DYCBUIQBHHFRNS-CABCVRRESA-N -1 0 339.476 3.512 20 0 EHADRM CCc1ccc([C@H]2CN([C@@H](C(=O)[O-])c3ccc(F)cc3)CCO2)cc1 ZINC000519642657 974331448 /nfs/dbraw/zinc/33/14/48/974331448.db2.gz KSSUJVUEWPXNHY-RTBURBONSA-N -1 0 343.398 3.587 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1ccc2nc(C)c(C)nc2c1 ZINC000526075829 974351837 /nfs/dbraw/zinc/35/18/37/974351837.db2.gz FVTAXWJZOJJDCC-UHFFFAOYSA-N -1 0 349.390 3.814 20 0 EHADRM CCc1c(C(=O)Nc2ccc(C(=O)[O-])cc2)cnn1-c1ccc(C)cc1 ZINC000531995432 974369717 /nfs/dbraw/zinc/36/97/17/974369717.db2.gz GDOZQRIECWJOAY-UHFFFAOYSA-N -1 0 349.390 3.694 20 0 EHADRM CCOc1ccc(OCCCC(=O)Nc2sccc2C(=O)[O-])cc1 ZINC001603869174 974370030 /nfs/dbraw/zinc/37/00/30/974370030.db2.gz AHJSUIXGEIFZLI-UHFFFAOYSA-N -1 0 349.408 3.643 20 0 EHADRM CCOc1cccc([C@H](C)NC(=O)Nc2ccccc2C(=O)[O-])c1 ZINC001603875466 974375632 /nfs/dbraw/zinc/37/56/32/974375632.db2.gz HJBAYOBXPMXDEM-LBPRGKRZSA-N -1 0 328.368 3.666 20 0 EHADRM Cc1ccc([C@H](CNC(=O)c2c(C)cc(C)cc2C)C(=O)[O-])cc1 ZINC000533711214 974378657 /nfs/dbraw/zinc/37/86/57/974378657.db2.gz LELUMXCFQAEHIT-KRWDZBQOSA-N -1 0 325.408 3.518 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)CSCc1cccc(Cl)c1 ZINC000540671792 974404237 /nfs/dbraw/zinc/40/42/37/974404237.db2.gz HSJJLAUGMBRKSE-UHFFFAOYSA-N -1 0 343.876 3.723 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1ccccc1OC1CCCC1)C(=O)[O-] ZINC001603926708 974418400 /nfs/dbraw/zinc/41/84/00/974418400.db2.gz ANUKOSZDYVQHFU-LRDDRELGSA-N -1 0 334.416 3.629 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1nc(C)c(-c2ccccc2)s1)C(=O)[O-] ZINC001603927163 974420030 /nfs/dbraw/zinc/42/00/30/974420030.db2.gz PRRZWDJOCGJAHR-GWCFXTLKSA-N -1 0 347.440 3.739 20 0 EHADRM CC[C@H](NC(=O)Nc1cc(C(C)(C)C)cc2cccnc21)C(=O)[O-] ZINC001603943733 974428547 /nfs/dbraw/zinc/42/85/47/974428547.db2.gz UWTJCOORGVKMFE-ZDUSSCGKSA-N -1 0 329.400 3.517 20 0 EHADRM CC[C@H](NC(=O)Nc1cccc(OCc2cccc(C)c2)c1)C(=O)[O-] ZINC001603951695 974431079 /nfs/dbraw/zinc/43/10/79/974431079.db2.gz PKNBPMKVDAXNHV-KRWDZBQOSA-N -1 0 342.395 3.559 20 0 EHADRM CCc1ccc(N(CC(C)C)C(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)cc1 ZINC001603974869 974461375 /nfs/dbraw/zinc/46/13/75/974461375.db2.gz LYCITBWSENIMIB-SJLPKXTDSA-N -1 0 347.455 3.508 20 0 EHADRM CC[C@H](CC(=O)NC1(CC(=O)[O-])CCCCC1)c1ccc(OC)cc1 ZINC000559714934 974498340 /nfs/dbraw/zinc/49/83/40/974498340.db2.gz VOLBNVIPMJDRHR-OAHLLOKOSA-N -1 0 347.455 3.873 20 0 EHADRM COCc1cc(NC(=O)c2cc3cc(F)ccc3o2)cc(C(=O)[O-])c1 ZINC000562374803 974505380 /nfs/dbraw/zinc/50/53/80/974505380.db2.gz JCGOKAFJFOWMKM-UHFFFAOYSA-N -1 0 343.310 3.669 20 0 EHADRM CCOc1cccc2cc([C@H](C)NC(=O)C[C@@H](C)CC(=O)[O-])oc21 ZINC000563422940 974531180 /nfs/dbraw/zinc/53/11/80/974531180.db2.gz IWVALYFNTSNCQF-NEPJUHHUSA-N -1 0 333.384 3.510 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000563423696 974531187 /nfs/dbraw/zinc/53/11/87/974531187.db2.gz ORBGGOYFCMROSV-DYVFJYSZSA-N -1 0 328.412 3.722 20 0 EHADRM C[N@H+](CCOc1ccc(C(F)(F)F)cc1)Cc1cc(C(=O)[O-])co1 ZINC000568402349 974670204 /nfs/dbraw/zinc/67/02/04/974670204.db2.gz CUFJSXBLTRWWQV-UHFFFAOYSA-N -1 0 343.301 3.507 20 0 EHADRM CC1(C)C[C@H](c2ccccc2)N(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)C1 ZINC000570805284 974718449 /nfs/dbraw/zinc/71/84/49/974718449.db2.gz NIBQAVJWVHZVGY-YESZJQIVSA-N -1 0 329.440 3.877 20 0 EHADRM Cc1cc(C)cc([N-]S(=O)(=O)c2cccnc2C(F)(F)F)c1 ZINC000579695304 1014212078 /nfs/dbraw/zinc/21/20/78/1014212078.db2.gz VDZXMNKXWBRHAE-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM C[C@H]1CN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC(C)(C)O1 ZINC000575874913 974802791 /nfs/dbraw/zinc/80/27/91/974802791.db2.gz LYXPLYBIXBHRLF-TVQRCGJNSA-N -1 0 332.227 3.618 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C1(C(F)(F)F)CCCCC1 ZINC000575883573 974803349 /nfs/dbraw/zinc/80/33/49/974803349.db2.gz YRCANTTVTGRLDD-UHFFFAOYSA-N -1 0 343.345 3.856 20 0 EHADRM O=C([O-])c1csc(CN(CCC(F)(F)F)Cc2ccccc2)n1 ZINC000576472573 974815282 /nfs/dbraw/zinc/81/52/82/974815282.db2.gz GMKRCEWVANROOY-UHFFFAOYSA-N -1 0 344.358 3.796 20 0 EHADRM Cc1ccc(CN(C)[C@H](C(=O)[O-])c2cccc(Br)c2)o1 ZINC000576522256 974816353 /nfs/dbraw/zinc/81/63/53/974816353.db2.gz CETZNPQUVFOBHO-AWEZNQCLSA-N -1 0 338.201 3.608 20 0 EHADRM CCSc1ccccc1C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000577428007 974836583 /nfs/dbraw/zinc/83/65/83/974836583.db2.gz PQYIMWPUPKNYNH-UHFFFAOYSA-N -1 0 345.420 3.823 20 0 EHADRM Cc1occc1CN(C)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000578076473 974847142 /nfs/dbraw/zinc/84/71/42/974847142.db2.gz KDUIWLLHDPREDI-CQSZACIVSA-N -1 0 338.201 3.608 20 0 EHADRM Cc1ccc(Nc2ccccc2C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)cc1 ZINC000578719539 974860477 /nfs/dbraw/zinc/86/04/77/974860477.db2.gz PIIKYRHFDKTXKR-GDBMZVCRSA-N -1 0 338.407 3.674 20 0 EHADRM Cc1ccccc1C1(C(=O)Nc2ccc(OCC(=O)[O-])cc2)CCC1 ZINC000581737774 974914684 /nfs/dbraw/zinc/91/46/84/974914684.db2.gz RATCGQWWOXUARI-UHFFFAOYSA-N -1 0 339.391 3.519 20 0 EHADRM C[C@@H]1CN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC(C)(C)O1 ZINC000583386830 974940418 /nfs/dbraw/zinc/94/04/18/974940418.db2.gz NSDLYWSVDHGJOG-RNCFNFMXSA-N -1 0 332.227 3.618 20 0 EHADRM CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)c1cccc(C(C)(C)C)c1 ZINC000583945045 974948173 /nfs/dbraw/zinc/94/81/73/974948173.db2.gz FLFQEYYMIUNGKP-OAHLLOKOSA-N -1 0 349.471 3.574 20 0 EHADRM C[C@H](CC(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1)n1cccc1 ZINC000584458381 974955261 /nfs/dbraw/zinc/95/52/61/974955261.db2.gz MYJFGURQGCMITQ-NVXWUHKLSA-N -1 0 334.460 3.759 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cccc(C2CC2)c1)c1ccc(F)cc1 ZINC000584790685 974959045 /nfs/dbraw/zinc/95/90/45/974959045.db2.gz SLOCIGOALQXASC-KRWDZBQOSA-N -1 0 327.355 3.649 20 0 EHADRM C[C@H](CC(=O)Nc1cccc(CSCC(=O)[O-])c1)c1ccco1 ZINC000600869273 975007790 /nfs/dbraw/zinc/00/77/90/975007790.db2.gz KVBNUWCDTYDKIP-GFCCVEGCSA-N -1 0 333.409 3.730 20 0 EHADRM CSCCCN(C)C(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000600871543 975009473 /nfs/dbraw/zinc/00/94/73/975009473.db2.gz AIYYFZCDROVSKJ-UHFFFAOYSA-N -1 0 343.448 3.877 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000621558564 975031507 /nfs/dbraw/zinc/03/15/07/975031507.db2.gz JIZVGWYAZGDSGZ-OAHLLOKOSA-N -1 0 337.419 3.804 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)Cc1ccc(Cl)cc1 ZINC000621588018 975045243 /nfs/dbraw/zinc/04/52/43/975045243.db2.gz OAWZGPGDZSHNPU-IRXDYDNUSA-N -1 0 343.810 3.699 20 0 EHADRM C[C@@H](NC(=O)C[C@@H]1CCCc2ccccc21)c1ncc(C(=O)[O-])s1 ZINC000621611139 975060043 /nfs/dbraw/zinc/06/00/43/975060043.db2.gz XREXAUPIOGPXAC-YPMHNXCESA-N -1 0 344.436 3.529 20 0 EHADRM CC(C)CN(Cc1cccc(Cl)c1)C(=O)C[C@@H](C)CC(=O)[O-] ZINC000621617902 975062952 /nfs/dbraw/zinc/06/29/52/975062952.db2.gz DZWVSRQQDUFPOJ-CYBMUJFWSA-N -1 0 325.836 3.826 20 0 EHADRM CCC(CC)(CNC(=O)c1c(C)[nH]c2ccc(Cl)cc21)C(=O)[O-] ZINC000621706798 975063853 /nfs/dbraw/zinc/06/38/53/975063853.db2.gz CITZSQCUSIMZMO-UHFFFAOYSA-N -1 0 336.819 3.751 20 0 EHADRM Cc1cc(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)oc1C(=O)[O-] ZINC000630112069 975106135 /nfs/dbraw/zinc/10/61/35/975106135.db2.gz XEECFYKNCFNSSB-HNNXBMFYSA-N -1 0 325.364 3.578 20 0 EHADRM Cc1cc(C(=O)N2CC[C@](C)(CCc3ccccc3)C2)oc1C(=O)[O-] ZINC000630123682 975110939 /nfs/dbraw/zinc/11/09/39/975110939.db2.gz QPLWZEONJLBMIK-FQEVSTJZSA-N -1 0 341.407 3.771 20 0 EHADRM CCOc1cccc(CCC(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000630130229 975115703 /nfs/dbraw/zinc/11/57/03/975115703.db2.gz JHULKTBGMRWJIN-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC000630132756 975117933 /nfs/dbraw/zinc/11/79/33/975117933.db2.gz VFGUPNLEROKHLY-YPMHNXCESA-N -1 0 335.400 3.557 20 0 EHADRM COc1c(C)cc(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)cc1C ZINC000063277191 1014237623 /nfs/dbraw/zinc/23/76/23/1014237623.db2.gz UISUKOZGMOECTR-BQYQJAHWSA-N -1 0 340.375 3.672 20 0 EHADRM CCC[C@@H](C(=O)NCc1ccc(C(=O)[O-])o1)c1cccc(Cl)c1 ZINC000630139295 975123337 /nfs/dbraw/zinc/12/33/37/975123337.db2.gz AMACWKPHTQNSCX-CQSZACIVSA-N -1 0 335.787 3.831 20 0 EHADRM CCC(CC)(CNC(=O)c1cc(-c2ccccc2)oc1C)C(=O)[O-] ZINC000630150300 975130710 /nfs/dbraw/zinc/13/07/10/975130710.db2.gz KVOUQLPUCYNFMH-UHFFFAOYSA-N -1 0 329.396 3.876 20 0 EHADRM Cc1ccc(C)c(S([O-])=CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000107966751 1014238923 /nfs/dbraw/zinc/23/89/23/1014238923.db2.gz ZXAXFNMHEISFGO-HKARXFIJSA-N -1 0 333.497 3.592 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CC2CCC(F)(F)CC2)[C@H]2CCCC[C@@H]12 ZINC000630208256 975159770 /nfs/dbraw/zinc/15/97/70/975159770.db2.gz RUXYNFWZLOMOEF-ZNMIVQPWSA-N -1 0 343.414 3.694 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1[nH]c2ccccc2c1Cl)C1CCCCC1 ZINC000630264765 975207731 /nfs/dbraw/zinc/20/77/31/975207731.db2.gz JOMKTWOCWILXIE-ZDUSSCGKSA-N -1 0 348.830 3.832 20 0 EHADRM Cc1[nH]c2ccc(C(=O)N3CC[C@H](C(=O)[O-])[C@@H]4CCC[C@H]43)cc2c1C ZINC000630285308 975229890 /nfs/dbraw/zinc/22/98/90/975229890.db2.gz ZOPYAHKMAHLGNL-RLFYNMQTSA-N -1 0 340.423 3.500 20 0 EHADRM CCCN(Cc1ccc(F)cc1)C(=O)c1cccc(CC(=O)[O-])c1 ZINC000630290966 975233191 /nfs/dbraw/zinc/23/31/91/975233191.db2.gz OMKPXGKCWUTNMJ-UHFFFAOYSA-N -1 0 329.371 3.505 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000630291133 975233474 /nfs/dbraw/zinc/23/34/74/975233474.db2.gz LVHNRLPQYJTNMG-KKUMJFAQSA-N -1 0 335.831 3.547 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1[C@H](C)C[C@H](c2ccccc2)[C@H]1C ZINC000630295730 975235817 /nfs/dbraw/zinc/23/58/17/975235817.db2.gz VBWRVUZMIVRGHX-JMSVASOKSA-N -1 0 327.380 3.693 20 0 EHADRM Cc1ccc(SC[C@H](C)NC(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC000630297927 975236876 /nfs/dbraw/zinc/23/68/76/975236876.db2.gz SDQGDHJUQCUXKU-AWEZNQCLSA-N -1 0 343.448 3.533 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N(CC2CC2)c2cccc(F)c2)c1 ZINC000630303887 975240801 /nfs/dbraw/zinc/24/08/01/975240801.db2.gz BTOCVIIVKYOIOO-UHFFFAOYSA-N -1 0 327.355 3.889 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NC[C@@H]1CCCC12CC2)C(=O)[O-] ZINC000630306193 975241911 /nfs/dbraw/zinc/24/19/11/975241911.db2.gz VZHYFSNATYGETC-STQMWFEESA-N -1 0 333.453 3.562 20 0 EHADRM O=C([O-])C12CCC(CC1)N2C(=O)c1cc2cc(Cl)ccc2s1 ZINC000630321476 975251504 /nfs/dbraw/zinc/25/15/04/975251504.db2.gz HNXIWYQAEWWCKL-UHFFFAOYSA-N -1 0 335.812 3.777 20 0 EHADRM Cc1c(C(=O)N2C3CCC2(C(=O)[O-])CC3)oc2c1c(C)ccc2C ZINC000630324305 975252179 /nfs/dbraw/zinc/25/21/79/975252179.db2.gz JRJQBNQJYCCULY-UHFFFAOYSA-N -1 0 327.380 3.580 20 0 EHADRM C[C@@H](Cc1ccc(NCc2ccnn2CC2CCC2)cc1)C(=O)[O-] ZINC000630459182 975265656 /nfs/dbraw/zinc/26/56/56/975265656.db2.gz LGELQHKCVDIXKM-AWEZNQCLSA-N -1 0 327.428 3.559 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NCc2ncccc2C(F)(F)F)cc1 ZINC000630469097 975266959 /nfs/dbraw/zinc/26/69/59/975266959.db2.gz UFMRBTNJKSFKFJ-QWHCGFSZSA-N -1 0 336.313 3.901 20 0 EHADRM O=C([O-])CC1(CC(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)CCCC1 ZINC000634936796 975281996 /nfs/dbraw/zinc/28/19/96/975281996.db2.gz TYEMSXKJMCCTSS-KOMQPUFPSA-N -1 0 333.403 3.613 20 0 EHADRM CCCN(C(=O)c1ccc(C(=O)[O-])cn1)[C@@H](CC)c1ccccc1 ZINC000642210904 975291642 /nfs/dbraw/zinc/29/16/42/975291642.db2.gz GOXPOFBOYFZVNC-KRWDZBQOSA-N -1 0 326.396 3.783 20 0 EHADRM O=C([O-])c1cnc(N2CCC[C@@H](Nc3ccccc3)C2)c(Cl)c1 ZINC000647451805 975364037 /nfs/dbraw/zinc/36/40/37/975364037.db2.gz HVPKNBPLEVRFSS-CQSZACIVSA-N -1 0 331.803 3.514 20 0 EHADRM C[C@H](CC(=O)N[C@H]1CCC[C@H]1C(=O)[O-])c1ccccc1C(F)(F)F ZINC000648353838 975383211 /nfs/dbraw/zinc/38/32/11/975383211.db2.gz GMGGUOXVMOBWGO-QKCSRTOESA-N -1 0 343.345 3.569 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CC2(CCC2)C[C@H]1C)C(=O)[O-] ZINC000649265090 975405495 /nfs/dbraw/zinc/40/54/95/975405495.db2.gz QRAJVEMJCZLQDV-OLZOCXBDSA-N -1 0 333.453 3.657 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000649364683 975408373 /nfs/dbraw/zinc/40/83/73/975408373.db2.gz JEQYGLPBLBRWHB-CQSZACIVSA-N -1 0 342.439 3.748 20 0 EHADRM CC(C)Nc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccccc2Cl)cn1 ZINC001591668290 975424502 /nfs/dbraw/zinc/42/45/02/975424502.db2.gz WQOOFTUTOYOCOL-HNNXBMFYSA-N -1 0 348.786 3.538 20 0 EHADRM CC(C)O[C@H](COC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001591686611 975498326 /nfs/dbraw/zinc/49/83/26/975498326.db2.gz QDMYDGWCNHFGBF-IXDOHACOSA-N -1 0 334.412 3.587 20 0 EHADRM CC(C)O[C@H](C(=O)O[C@H](C)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC001591687111 975500441 /nfs/dbraw/zinc/50/04/41/975500441.db2.gz UOCMLOLJRNPFST-WBMJQRKESA-N -1 0 332.352 3.748 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000652122399 975508321 /nfs/dbraw/zinc/50/83/21/975508321.db2.gz UUSWQPVHQHANSA-UHFFFAOYSA-N -1 0 343.345 3.702 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc3ccccc32)C[C@H]1C1CC1 ZINC000652125330 975511813 /nfs/dbraw/zinc/51/18/13/975511813.db2.gz NZOKLVRGUGAWAM-LWYYNNOASA-N -1 0 349.430 3.513 20 0 EHADRM CC(C)O[C@H]1C[C@H](Nc2cc(C(=O)[O-])cc3cccnc32)C1(C)C ZINC001591695150 975517862 /nfs/dbraw/zinc/51/78/62/975517862.db2.gz BGPLIMGLARXVKF-HOTGVXAUSA-N -1 0 328.412 3.937 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CN1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000652429850 975530350 /nfs/dbraw/zinc/53/03/50/975530350.db2.gz XLRNLIYWQTXWSS-MRXNPFEDSA-N -1 0 335.787 3.513 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653330523 975591297 /nfs/dbraw/zinc/59/12/97/975591297.db2.gz GMTUOPJULGEFTN-ZMYBRWDISA-N -1 0 337.419 3.918 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000653330163 975591393 /nfs/dbraw/zinc/59/13/93/975591393.db2.gz BAOVJGNMWFNCKM-BKTGTZMESA-N -1 0 337.419 3.782 20 0 EHADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1coc2ccc(C(C)C)cc12 ZINC001591711684 975596414 /nfs/dbraw/zinc/59/64/14/975596414.db2.gz HOAAWUZCASOVRJ-MRXNPFEDSA-N -1 0 347.411 3.506 20 0 EHADRM CCCCOc1cccc(NC(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC000653639257 975604360 /nfs/dbraw/zinc/60/43/60/975604360.db2.gz KLUQWTYBFAOLRI-UHFFFAOYSA-N -1 0 327.380 3.745 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2cccc(CC(=O)[O-])c2)C1 ZINC000653641549 975607713 /nfs/dbraw/zinc/60/77/13/975607713.db2.gz PHSGHYGMPOAMIC-CRAIPNDOSA-N -1 0 337.419 3.640 20 0 EHADRM C[C@H](C(=O)NCCC(C)(C)C(=O)[O-])c1c(Cl)cccc1Cl ZINC000653651059 975615933 /nfs/dbraw/zinc/61/59/33/975615933.db2.gz HMWPKZFOXNGHTC-VIFPVBQESA-N -1 0 332.227 3.714 20 0 EHADRM C[C@]1(C2CC2)CN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CCO1 ZINC000656757190 975685018 /nfs/dbraw/zinc/68/50/18/975685018.db2.gz LOPBRBHJJIHFHL-GOEBONIOSA-N -1 0 344.238 3.620 20 0 EHADRM O=C([O-])c1ccc(CN2CCOC[C@H]2c2cccc(F)c2)cc1Cl ZINC000656766509 975699673 /nfs/dbraw/zinc/69/96/73/975699673.db2.gz WIJGKZPXCOAKHO-KRWDZBQOSA-N -1 0 349.789 3.751 20 0 EHADRM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2cc(C(=O)[O-])oc2C)o1 ZINC000659122253 975721959 /nfs/dbraw/zinc/72/19/59/975721959.db2.gz CQBIHLWZKYHIQC-IINYFYTJSA-N -1 0 331.368 3.801 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)NCc1ccc(OC2CCCC2)cc1 ZINC000659139904 975739410 /nfs/dbraw/zinc/73/94/10/975739410.db2.gz HRHHXLNGRIRNEW-UHFFFAOYSA-N -1 0 343.379 3.538 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000659146048 975745647 /nfs/dbraw/zinc/74/56/47/975745647.db2.gz GVKVUUQYKXLEQY-GFCCVEGCSA-N -1 0 325.364 3.577 20 0 EHADRM CC(C)Oc1c(NC(=O)/C=C\c2ccsc2)cccc1C(=O)[O-] ZINC001591741514 975755731 /nfs/dbraw/zinc/75/57/31/975755731.db2.gz KETAMZKXORVLQM-SREVYHEPSA-N -1 0 331.393 3.885 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1cc2cc(Cl)ccc2s1)CC1CC1 ZINC000659163445 975762064 /nfs/dbraw/zinc/76/20/64/975762064.db2.gz GNLLRAZKUGFSNL-LLVKDONJSA-N -1 0 337.828 3.785 20 0 EHADRM O=C([O-])C12CC(C1)CN2C(=O)c1cc(-c2ccccc2)ccc1Cl ZINC000659179394 975774474 /nfs/dbraw/zinc/77/44/74/975774474.db2.gz VZCCJBMDBLKEGW-UHFFFAOYSA-N -1 0 341.794 3.696 20 0 EHADRM C[C@H](C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21)c1ccsc1 ZINC000659182462 975777515 /nfs/dbraw/zinc/77/75/15/975777515.db2.gz NXIQJSPDVWLZAH-SWLSCSKDSA-N -1 0 343.448 3.786 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CCCc3ccccc32)[C@@H]2CCCC[C@H]12 ZINC000659191333 975788499 /nfs/dbraw/zinc/78/84/99/975788499.db2.gz CEENUHHLPHQSIR-NCXUSEDFSA-N -1 0 341.451 3.598 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCc2cccc(Cl)c2)[C@H]2CCCC[C@@H]12 ZINC000659194324 975794952 /nfs/dbraw/zinc/79/49/52/975794952.db2.gz LPNRQNOYIZEZQL-BBWFWOEESA-N -1 0 349.858 3.765 20 0 EHADRM Cc1cccc2c(C(=O)N3CC[C@H](C(=O)[O-])[C@H]4CCCC[C@@H]43)coc21 ZINC000659194537 975795842 /nfs/dbraw/zinc/79/58/42/975795842.db2.gz UNXIVSVFZUGRAO-KMFMINBZSA-N -1 0 341.407 3.847 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(Cl)c(F)c2)[C@@H]2CCCC[C@@H]12 ZINC000659195921 975799777 /nfs/dbraw/zinc/79/97/77/975799777.db2.gz ZSOGMBORWVELTM-YWPYICTPSA-N -1 0 339.794 3.585 20 0 EHADRM Cc1ccccc1C1(C(=O)NCc2ccoc2C(=O)[O-])CCCCC1 ZINC000659199839 975807246 /nfs/dbraw/zinc/80/72/46/975807246.db2.gz BEPFEQJLHFMXPW-UHFFFAOYSA-N -1 0 341.407 3.805 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)NC[C@@H](CC(=O)[O-])C3CC3)s2)o1 ZINC000659205709 975814822 /nfs/dbraw/zinc/81/48/22/975814822.db2.gz BHRMZBGDRIIDLA-GFCCVEGCSA-N -1 0 333.409 3.547 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N[C@@](C)(CCF)C(=O)[O-])c(F)c2)cc1 ZINC000659215821 975827500 /nfs/dbraw/zinc/82/75/00/975827500.db2.gz OMNDRDCZXBRQQS-IBGZPJMESA-N -1 0 347.361 3.734 20 0 EHADRM C[C@H](CCC(=O)NCc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000659223579 975835250 /nfs/dbraw/zinc/83/52/50/975835250.db2.gz OHOXPCJWPLTWFL-CYBMUJFWSA-N -1 0 329.371 3.724 20 0 EHADRM O=C([O-])C1(C(=O)NCc2cccc(Cl)c2Cl)CC2(CCC2)C1 ZINC000659247962 975844510 /nfs/dbraw/zinc/84/45/10/975844510.db2.gz DEMAIGIFNUMFNC-UHFFFAOYSA-N -1 0 342.222 3.645 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)c1cccs1 ZINC000659752430 975858990 /nfs/dbraw/zinc/85/89/90/975858990.db2.gz GCVXUMYBEXGBMR-OAHLLOKOSA-N -1 0 347.436 3.729 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N(C)[C@@H](C)c1ccco1 ZINC001591763111 975862423 /nfs/dbraw/zinc/86/24/23/975862423.db2.gz FMVHUXHIMAGRLH-LBPRGKRZSA-N -1 0 346.383 3.990 20 0 EHADRM CC(C)Oc1ccc(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)cc1 ZINC000666364888 975960398 /nfs/dbraw/zinc/96/03/98/975960398.db2.gz MWHQPTKNHNFKFY-CYBMUJFWSA-N -1 0 327.380 3.914 20 0 EHADRM CO[C@H]1CCC[C@H](CC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C1 ZINC000668277204 975982274 /nfs/dbraw/zinc/98/22/74/975982274.db2.gz BHAJUMUCPHRNKF-BBRMVZONSA-N -1 0 333.428 3.583 20 0 EHADRM CC[C@](CNC(=O)c1ccsc1Cl)(C(=O)[O-])c1ccccc1 ZINC000668292633 975987576 /nfs/dbraw/zinc/98/75/76/975987576.db2.gz KXCHZRQPCLKEAG-MRXNPFEDSA-N -1 0 337.828 3.564 20 0 EHADRM CN(C(=O)c1cccc(CC(=O)[O-])c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000668324022 975999343 /nfs/dbraw/zinc/99/93/43/975999343.db2.gz LDBKCSWVSLMVGW-OKILXGFUSA-N -1 0 343.345 3.507 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)CCCc1cccs1 ZINC000675945268 976014520 /nfs/dbraw/zinc/01/45/20/976014520.db2.gz FCJDBZOXZZDENV-UHFFFAOYSA-N -1 0 331.437 3.574 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CCC(=O)N(CC(=O)[O-])C2CCCCC2)o1 ZINC000675993271 976024201 /nfs/dbraw/zinc/02/42/01/976024201.db2.gz CTLKNYUAVUIDGC-BBRMVZONSA-N -1 0 333.428 3.582 20 0 EHADRM O=C([O-])CN(C(=O)c1cc2cc(F)ccc2s1)C1CCCCC1 ZINC000675993553 976024551 /nfs/dbraw/zinc/02/45/51/976024551.db2.gz HBQXTHVWMSQIQS-UHFFFAOYSA-N -1 0 335.400 3.900 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000676001820 976026448 /nfs/dbraw/zinc/02/64/48/976026448.db2.gz NRWDWUZXAPKTLK-JTQLQIEISA-N -1 0 335.762 3.995 20 0 EHADRM CCC[C@H](C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC000679105767 976047289 /nfs/dbraw/zinc/04/72/89/976047289.db2.gz ROBPOAOBDCFKAK-SJORKVTESA-N -1 0 331.456 3.920 20 0 EHADRM CC(C)SCCNC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001591828219 976084919 /nfs/dbraw/zinc/08/49/19/976084919.db2.gz IDRAAWNDWSSKFS-UHFFFAOYSA-N -1 0 342.486 3.517 20 0 EHADRM CCc1ccc([C@H](C)C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000685023890 976094819 /nfs/dbraw/zinc/09/48/19/976094819.db2.gz DNQBLTKIMHPFED-YCRPNKLZSA-N -1 0 339.435 3.511 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)Nc2ccc3cnn(CC(=O)[O-])c3c2)CC1 ZINC001591907773 976313089 /nfs/dbraw/zinc/31/30/89/976313089.db2.gz YPFXRNSJVWMGHQ-HDJSIYSDSA-N -1 0 343.427 3.522 20 0 EHADRM CC(C)c1cc(C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])c2ccccc2n1 ZINC001591925446 976405768 /nfs/dbraw/zinc/40/57/68/976405768.db2.gz BCKKZWOKWGQBLG-KRWDZBQOSA-N -1 0 342.439 3.977 20 0 EHADRM CC(C)c1cc(C(=O)N(C)C2(C(=O)[O-])CCCC2)c2ccccc2n1 ZINC001591925969 976412551 /nfs/dbraw/zinc/41/25/51/976412551.db2.gz NISWZXDMLGPXDS-UHFFFAOYSA-N -1 0 340.423 3.828 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@H](C)[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC001591941735 976462749 /nfs/dbraw/zinc/46/27/49/976462749.db2.gz GGUTTZGTUIUAJK-BEFAXECRSA-N -1 0 339.435 3.872 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)nc1 ZINC001591941891 976464384 /nfs/dbraw/zinc/46/43/84/976464384.db2.gz IICOKSDRAUSVJY-INIZCTEOSA-N -1 0 346.814 3.804 20 0 EHADRM CC(C)c1ccc(C(=O)COC(=O)c2ccc(C=CC(=O)[O-])o2)cc1 ZINC001591943730 976483974 /nfs/dbraw/zinc/48/39/74/976483974.db2.gz RCIKGFFZRVTORF-CSKARUKUSA-N -1 0 342.347 3.541 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)NCc2ccc(C(=O)[O-])cn2)cc1 ZINC001591947510 976490610 /nfs/dbraw/zinc/49/06/10/976490610.db2.gz LYGSSNRKHIJJEB-CQSZACIVSA-N -1 0 340.423 3.713 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2nc3c(s2)CC[C@H](C(=O)[O-])C3)cc1 ZINC001591947777 976495369 /nfs/dbraw/zinc/49/53/69/976495369.db2.gz VRGYPQRIYNGFCG-ZDUSSCGKSA-N -1 0 344.436 3.708 20 0 EHADRM CC(C)c1ccc(CCC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc1 ZINC001591953305 976516735 /nfs/dbraw/zinc/51/67/35/976516735.db2.gz WMSKYLRAVRCWJW-WIYYLYMNSA-N -1 0 343.467 3.846 20 0 EHADRM CC(C)c1ccc(CCCNC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)cc1 ZINC001591953389 976518422 /nfs/dbraw/zinc/51/84/22/976518422.db2.gz ZWMRYIPJJGTYMY-AEFFLSMTSA-N -1 0 346.471 3.685 20 0 EHADRM CC(C)c1ccc(NC(=O)C[C@@H]2CCC3(CCC3)O2)c(C(=O)[O-])c1 ZINC001591962741 976550537 /nfs/dbraw/zinc/55/05/37/976550537.db2.gz PSOVPDSCAHILJG-AWEZNQCLSA-N -1 0 331.412 3.939 20 0 EHADRM CC(C)c1ccc(NC(=O)C[C@@H]2CC[C@@H](C3CC3)O2)c(C(=O)[O-])c1 ZINC001591963345 976553788 /nfs/dbraw/zinc/55/37/88/976553788.db2.gz ZTPAZNBOERXFTB-YOEHRIQHSA-N -1 0 331.412 3.794 20 0 EHADRM CC(C)c1ccc(NC(=O)c2cccc3c2COCC3)c(C(=O)[O-])c1 ZINC001591968118 976565357 /nfs/dbraw/zinc/56/53/57/976565357.db2.gz JIPDESKJBQPXEH-UHFFFAOYSA-N -1 0 339.391 3.833 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)CC2 ZINC001591974509 976589831 /nfs/dbraw/zinc/58/98/31/976589831.db2.gz WQYOWWJSQJCHKE-PYUISTEWSA-N -1 0 339.391 3.918 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)N[C@@H]1CC=C(C(=O)[O-])C1)CCC2 ZINC001591981573 976597509 /nfs/dbraw/zinc/59/75/09/976597509.db2.gz RPGIHBJARRAXHI-SJLPKXTDSA-N -1 0 342.439 3.660 20 0 EHADRM CC(C)c1cccc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])n1 ZINC001591983258 976602674 /nfs/dbraw/zinc/60/26/74/976602674.db2.gz MGBJIXXDMXWFTI-KRWDZBQOSA-N -1 0 340.423 3.787 20 0 EHADRM CC(C)c1cccc(NC(=O)NCc2ccc(C(=O)[O-])cc2F)c1 ZINC001591991364 976616449 /nfs/dbraw/zinc/61/64/49/976616449.db2.gz BBUKIGYBVGPYMP-UHFFFAOYSA-N -1 0 330.359 3.969 20 0 EHADRM CC(C)c1cccc(N(C)CC(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC001591991869 976621315 /nfs/dbraw/zinc/62/13/15/976621315.db2.gz MNMXKWFIJXZDRK-UHFFFAOYSA-N -1 0 326.396 3.583 20 0 EHADRM CC(C)c1cccc(OS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC001591994122 976628438 /nfs/dbraw/zinc/62/84/38/976628438.db2.gz BELKPZSPBPZSKO-FLIBITNWSA-N -1 0 346.404 3.676 20 0 EHADRM CC(C)c1ccccc1OCCC(=O)O[C@@H](C)c1nc(C(=O)[O-])co1 ZINC001592004977 976670886 /nfs/dbraw/zinc/67/08/86/976670886.db2.gz YZCJRMKVPRZMMB-LBPRGKRZSA-N -1 0 347.367 3.570 20 0 EHADRM CC(C)c1nc2cc(NC(=O)Nc3cc(C(=O)[O-])ccn3)ccc2o1 ZINC001592030125 976732965 /nfs/dbraw/zinc/73/29/65/976732965.db2.gz BGPYJHSOIRFMEC-UHFFFAOYSA-N -1 0 340.339 3.688 20 0 EHADRM CC(C)c1oc(-c2ccccc2)nc1C(=O)OCC1(CC(=O)[O-])CC1 ZINC001592102350 976869848 /nfs/dbraw/zinc/86/98/48/976869848.db2.gz HATKRFCJQOHFEI-UHFFFAOYSA-N -1 0 343.379 3.877 20 0 EHADRM CC(C)n1c2ccccc2nc1NCc1ccccc1OCC(=O)[O-] ZINC001592121117 976926292 /nfs/dbraw/zinc/92/62/92/976926292.db2.gz HMHHYQUJDHKNLR-UHFFFAOYSA-N -1 0 339.395 3.693 20 0 EHADRM C[C@H](/C=C/C(=O)[O-])NC(=O)[C@@H]1CCC(C)(C)C[C@H]1c1ccccc1 ZINC001592189663 977120552 /nfs/dbraw/zinc/12/05/52/977120552.db2.gz AWTSDOINZWKPKE-RKMKWRBCSA-N -1 0 329.440 3.742 20 0 EHADRM C[C@H](/C=C/C(=O)[O-])NC(=O)c1ccccc1SCc1cccs1 ZINC001592218159 977290787 /nfs/dbraw/zinc/29/07/87/977290787.db2.gz PEQJJBRFBXANIJ-IDVQTMNDSA-N -1 0 347.461 3.800 20 0 EHADRM C[C@@H](CC(=O)N1C[C@H](C(=O)[O-])Cc2ccccc21)C1CCCCC1 ZINC001592228156 977428896 /nfs/dbraw/zinc/42/88/96/977428896.db2.gz ZBFNTPJSXZFWMF-WMLDXEAASA-N -1 0 329.440 3.883 20 0 EHADRM C[C@H](CC(=O)N1CCCCc2cc(C(=O)[O-])ccc21)c1ccncc1 ZINC001592233237 977430776 /nfs/dbraw/zinc/43/07/76/977430776.db2.gz DSGPFAPGTOEVNW-CQSZACIVSA-N -1 0 338.407 3.643 20 0 EHADRM C[C@H](CC(=O)N1CCc2c1cccc2C(=O)[O-])c1ccccc1F ZINC001592236355 977444761 /nfs/dbraw/zinc/44/47/61/977444761.db2.gz OCCTYMREGBKUMF-GFCCVEGCSA-N -1 0 327.355 3.607 20 0 EHADRM C[C@@H](CC(=O)N1CCc2c1cccc2C(=O)[O-])c1cccc(F)c1 ZINC001592237352 977447045 /nfs/dbraw/zinc/44/70/45/977447045.db2.gz YCLRYMBSGFUIFG-LBPRGKRZSA-N -1 0 327.355 3.607 20 0 EHADRM C[C@@H](CC(=O)NCC(C)(C)CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC001592255091 977494326 /nfs/dbraw/zinc/49/43/26/977494326.db2.gz XNBTWPOZMKYICJ-GFCCVEGCSA-N -1 0 325.836 3.526 20 0 EHADRM C[C@@H](CC(=O)Nc1cc(Cl)c(Cl)cc1C(=O)[O-])[C@H]1CCCO1 ZINC001592261667 977503768 /nfs/dbraw/zinc/50/37/68/977503768.db2.gz GBIACFQZAADYKI-ISVAXAHUSA-N -1 0 346.210 3.835 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)/C=C\c1cc(Cl)cc(Cl)c1)C1CC1 ZINC001592280261 977567621 /nfs/dbraw/zinc/56/76/21/977567621.db2.gz CKJJDLUDMJIHAR-ASKPUQFJSA-N -1 0 342.222 3.766 20 0 EHADRM CCCc1cnc([N-]S(=O)(=O)c2cccc3c(C)ccnc32)s1 ZINC000547628183 1014409986 /nfs/dbraw/zinc/40/99/86/1014409986.db2.gz DZSWIIMQHZIOHV-UHFFFAOYSA-N -1 0 347.465 3.753 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)Nc1ccc(-c2ccccn2)cc1)C1CC1 ZINC001592289887 977608476 /nfs/dbraw/zinc/60/84/76/977608476.db2.gz JNWJMJUCMYJNDS-IBGZPJMESA-N -1 0 339.395 3.514 20 0 EHADRM C[C@](CC(=O)[O-])(NCc1cc(Cl)ccc1Cl)c1ccccn1 ZINC001592329126 977753367 /nfs/dbraw/zinc/75/33/67/977753367.db2.gz RKKQQFWOLROAJH-MRXNPFEDSA-N -1 0 339.222 3.868 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)NCc1ccc(Sc2ccc(F)cc2)cc1 ZINC001592356746 977838807 /nfs/dbraw/zinc/83/88/07/977838807.db2.gz ZOTHCMWZZBGVMU-LBPRGKRZSA-N -1 0 347.411 3.704 20 0 EHADRM COc1cccc(O)c1Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001211489786 1014433341 /nfs/dbraw/zinc/43/33/41/1014433341.db2.gz IFAQVUIZVRDHMX-UHFFFAOYSA-N -1 0 327.258 3.861 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCC(C)(c2ccc(Cl)cc2)CC1 ZINC001592371549 977894840 /nfs/dbraw/zinc/89/48/40/977894840.db2.gz UKNXSQFHIKGSFE-ZDUSSCGKSA-N -1 0 337.847 3.721 20 0 EHADRM CSc1ccc([C@@H](C)NC(=O)N2CCCCC[C@H]2C(=O)[O-])cc1 ZINC000654815707 1014441650 /nfs/dbraw/zinc/44/16/50/1014441650.db2.gz GURPYHAFAJIZGY-DOMZBBRYSA-N -1 0 336.457 3.508 20 0 EHADRM C[C@H](c1ccc(COC(=O)C[C@@H](C)CC(=O)[O-])cc1)C(F)(F)F ZINC001592400248 977962692 /nfs/dbraw/zinc/96/26/92/977962692.db2.gz BLRJOBZJRNVKET-WDEREUQCSA-N -1 0 332.318 3.897 20 0 EHADRM C[C@H](CC(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccc(N)cc1 ZINC001592424675 978046909 /nfs/dbraw/zinc/04/69/09/978046909.db2.gz VSLDLUIGOPXSBH-DIFFPNOSSA-N -1 0 347.798 3.785 20 0 EHADRM C[C@H](CC(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccc(N)cc1 ZINC001592424677 978047292 /nfs/dbraw/zinc/04/72/92/978047292.db2.gz VSLDLUIGOPXSBH-PIGZYNQJSA-N -1 0 347.798 3.785 20 0 EHADRM C[C@H](CC(=O)Oc1ccc(CC(=O)[O-])cc1)c1c[nH]c2ccccc21 ZINC001592433246 978065529 /nfs/dbraw/zinc/06/55/29/978065529.db2.gz DJUPFLKCNUOYFG-CYBMUJFWSA-N -1 0 337.375 3.894 20 0 EHADRM C[C@@H](CC(F)(F)F)C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC001592453096 978151019 /nfs/dbraw/zinc/15/10/19/978151019.db2.gz FNRPSHMQZQXLQO-LURJTMIESA-N -1 0 338.351 3.666 20 0 EHADRM C[C@@H](CC(F)(F)F)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001592454399 978164480 /nfs/dbraw/zinc/16/44/80/978164480.db2.gz OJFPDANEUHDFRG-LURJTMIESA-N -1 0 341.232 3.513 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)N[C@](C)(Cc1ccc(F)cc1)C(=O)[O-] ZINC001592466218 978211692 /nfs/dbraw/zinc/21/16/92/978211692.db2.gz RYFJYUBLLJOJAW-JLTOFOAXSA-N -1 0 349.446 3.934 20 0 EHADRM CC(C)[C@H](OC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000736389493 978328369 /nfs/dbraw/zinc/32/83/69/978328369.db2.gz IWPAZPCTVVVUPF-MDZLAQPJSA-N -1 0 331.195 3.749 20 0 EHADRM C[C@H](CCOC(=O)c1cc(C(=O)[O-])co1)c1c[nH]c2ccccc21 ZINC001592528521 978381893 /nfs/dbraw/zinc/38/18/93/978381893.db2.gz CDRKPCPOGJOTIP-LLVKDONJSA-N -1 0 327.336 3.810 20 0 EHADRM C[C@@H](CCOC(=O)c1cc(C(=O)[O-])co1)c1c[nH]c2ccccc21 ZINC001592528525 978381919 /nfs/dbraw/zinc/38/19/19/978381919.db2.gz CDRKPCPOGJOTIP-NSHDSACASA-N -1 0 327.336 3.810 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)Nc1c(F)cccc1C(=O)[O-] ZINC001592545795 978430527 /nfs/dbraw/zinc/43/05/27/978430527.db2.gz DAAZHIXXGVWAEF-LLVKDONJSA-N -1 0 333.334 3.870 20 0 EHADRM CSCc1cccc(-c2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)c1 ZINC000738194561 978498487 /nfs/dbraw/zinc/49/84/87/978498487.db2.gz DSBVHHVDOQRIBF-UHFFFAOYSA-N -1 0 326.377 3.564 20 0 EHADRM O=C([O-])NCCCC(=O)NC1(c2ccc(Cl)cc2)CCCCC1 ZINC000739962669 978661057 /nfs/dbraw/zinc/66/10/57/978661057.db2.gz GQTWLYIHNFROER-UHFFFAOYSA-N -1 0 338.835 3.663 20 0 EHADRM O=C([O-])c1ccc(-c2nc3ccc(-c4ccccc4)cc3c(=O)[nH]2)cc1 ZINC000748360277 978687855 /nfs/dbraw/zinc/68/78/55/978687855.db2.gz REIWHSKJJOUGEF-UHFFFAOYSA-N -1 0 342.354 3.955 20 0 EHADRM COc1ccccc1-c1ccc([C@H](C)NC(=O)CCCC(=O)[O-])cc1 ZINC000753967263 978695520 /nfs/dbraw/zinc/69/55/20/978695520.db2.gz IQEDUBYIVZFDJA-AWEZNQCLSA-N -1 0 341.407 3.794 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)C=C2CCC(C)(C)CC2)cc1 ZINC000761392440 978710156 /nfs/dbraw/zinc/71/01/56/978710156.db2.gz RXFAQCXDYMXPTQ-KRWDZBQOSA-N -1 0 345.439 3.854 20 0 EHADRM CCCCC[C@@H](NC(=O)CCc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000761846848 978715882 /nfs/dbraw/zinc/71/58/82/978715882.db2.gz QQHARDQHLZDYOG-CQSZACIVSA-N -1 0 345.361 3.788 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)/C(=C/c1ccc(F)cc1)c1cccs1 ZINC000763499379 978723236 /nfs/dbraw/zinc/72/32/36/978723236.db2.gz VDPOWYYGMFXJCL-NTCAYCPXSA-N -1 0 347.411 3.751 20 0 EHADRM CC(C)(C)c1ncc(/C=C\C(=O)Nc2ccc(C(=O)[O-])cc2F)s1 ZINC000763417230 978723333 /nfs/dbraw/zinc/72/33/33/978723333.db2.gz RPCKNFFJOJGDRH-ALCCZGGFSA-N -1 0 348.399 3.930 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)C(F)(F)c1ccccc1)C(=O)[O-] ZINC000766898700 978728903 /nfs/dbraw/zinc/72/89/03/978728903.db2.gz FSKGUSQDDFIQQX-CQSZACIVSA-N -1 0 347.361 3.528 20 0 EHADRM C/C(=C/C(=O)Nc1cccc(CCC(=O)[O-])c1)c1cccc(F)c1 ZINC000786615693 978795351 /nfs/dbraw/zinc/79/53/51/978795351.db2.gz QNAYJZPKUBZVHA-RAXLEYEMSA-N -1 0 327.355 3.885 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)/C=C\c2ccnc3ccccc23)cc1 ZINC000588592306 1032094157 /nfs/dbraw/zinc/09/41/57/1032094157.db2.gz GEDOHWFVZMLNIF-MVOOLVRYSA-N -1 0 344.370 3.985 20 0 EHADRM CSc1ccc(CNC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000811816995 978860555 /nfs/dbraw/zinc/86/05/55/978860555.db2.gz HFLIKITXPUXODM-UHFFFAOYSA-N -1 0 335.812 3.690 20 0 EHADRM CCS[C@@H]1CCCC[C@@H]1NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811821394 978865781 /nfs/dbraw/zinc/86/57/81/978865781.db2.gz DGCROUFRJUUZNF-UONOGXRCSA-N -1 0 341.860 3.832 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)Nc2cccc(OCCF)c2)c1 ZINC000811821705 978866733 /nfs/dbraw/zinc/86/67/33/978866733.db2.gz NOVXHGMFKJTVHH-UHFFFAOYSA-N -1 0 337.734 3.639 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000821751616 978926567 /nfs/dbraw/zinc/92/65/67/978926567.db2.gz BXSNGVFJEUUBOH-UHFFFAOYSA-N -1 0 331.343 3.555 20 0 EHADRM CC(C)Oc1cccc([C@H](C)NC(=O)C23CCC(C(=O)[O-])(CC2)C3)c1 ZINC000821995653 978927375 /nfs/dbraw/zinc/92/73/75/978927375.db2.gz IXVVGPWQGZZVCD-JAGHRAMZSA-N -1 0 345.439 3.686 20 0 EHADRM Cc1ccc([C@H]2CCN(C(=O)c3ccc(/C=C/C(=O)[O-])o3)C2)c(C)c1 ZINC000826571809 978946961 /nfs/dbraw/zinc/94/69/61/978946961.db2.gz LOBALQLIBRYGOV-PXTSUWAFSA-N -1 0 339.391 3.624 20 0 EHADRM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000828253324 978977595 /nfs/dbraw/zinc/97/75/95/978977595.db2.gz LQFRALLBGQERGD-LLVKDONJSA-N -1 0 349.736 3.841 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000828652462 978986644 /nfs/dbraw/zinc/98/66/44/978986644.db2.gz MLWXMHAPQLXADL-ZDUSSCGKSA-N -1 0 335.256 3.923 20 0 EHADRM CC[C@@H](C)c1nnc(N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)n1CC1CC1 ZINC001595017450 979079442 /nfs/dbraw/zinc/07/94/42/979079442.db2.gz GTZVJLWVNCIZGC-UKRRQHHQSA-N -1 0 348.491 3.529 20 0 EHADRM C[C@H](CNC(=O)Nc1cccc(SCCC(=O)[O-])c1)CC(F)F ZINC001592682968 979108354 /nfs/dbraw/zinc/10/83/54/979108354.db2.gz JJJYFHCLXYYAPW-JTQLQIEISA-N -1 0 346.399 3.666 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)Nc2ccc(C(=O)[O-])cc2C)c1C ZINC001595026821 979138093 /nfs/dbraw/zinc/13/80/93/979138093.db2.gz LKRITBZVCQAKEZ-NSHDSACASA-N -1 0 330.388 3.813 20 0 EHADRM CC[C@@H](C)n1nccc1C(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1 ZINC001595029062 979155284 /nfs/dbraw/zinc/15/52/84/979155284.db2.gz TZDWIRZQHSAOAT-GDBMZVCRSA-N -1 0 349.475 3.788 20 0 EHADRM CC[C@@H](C)n1nccc1C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001595029102 979155436 /nfs/dbraw/zinc/15/54/36/979155436.db2.gz UTAWDMHIDDZJDB-MRVPVSSYSA-N -1 0 339.754 3.597 20 0 EHADRM CC[C@@H](CC(=O)N1CCOc2c(cccc2C(=O)[O-])C1)C(C)(C)C ZINC001595034025 979180170 /nfs/dbraw/zinc/18/01/70/979180170.db2.gz XJJCGDJMGUOSOY-AWEZNQCLSA-N -1 0 333.428 3.568 20 0 EHADRM CC(C)(CNC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)C1CCCC1 ZINC000833457608 979188081 /nfs/dbraw/zinc/18/80/81/979188081.db2.gz MVTPISSVJIPFRO-HNNXBMFYSA-N -1 0 338.492 3.735 20 0 EHADRM CCNc1ccc(Cl)cc1C(=O)NCCCCCCC(=O)[O-] ZINC000836716169 979247570 /nfs/dbraw/zinc/24/75/70/979247570.db2.gz GHTSFXFWOGXWNQ-UHFFFAOYSA-N -1 0 326.824 3.537 20 0 EHADRM C[C@](CNc1nc2ccc(F)cc2s1)(C(=O)[O-])c1ccccc1 ZINC001592730753 979251566 /nfs/dbraw/zinc/25/15/66/979251566.db2.gz ZKDOVNXYKBDAQO-QGZVFWFLSA-N -1 0 330.384 3.890 20 0 EHADRM CCC(CC)(CC(=O)[O-])C(=O)O[C@H](C)c1nccn1-c1ccccc1 ZINC001595048088 979264258 /nfs/dbraw/zinc/26/42/58/979264258.db2.gz UMLZOAFZCBULDZ-CQSZACIVSA-N -1 0 344.411 3.758 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2sccc2-c2ccc(F)cc2)C1 ZINC000840944800 979284213 /nfs/dbraw/zinc/28/42/13/979284213.db2.gz BPLANHMJVLAARB-GOSISDBHSA-N -1 0 347.411 3.881 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cccc(Oc2ccccn2)c1 ZINC001595053235 979285217 /nfs/dbraw/zinc/28/52/17/979285217.db2.gz HXPJLCVAAAKHRM-UHFFFAOYSA-N -1 0 342.395 3.637 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cc(Cl)c2ccccc2n1 ZINC001595053729 979288659 /nfs/dbraw/zinc/28/86/59/979288659.db2.gz SUKHUOBMEJLPHE-UHFFFAOYSA-N -1 0 334.803 3.652 20 0 EHADRM CCC(CC)(CC)CNC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001595057709 979301700 /nfs/dbraw/zinc/30/17/00/979301700.db2.gz FMWAYCPZFBDVRP-HXUWFJFHSA-N -1 0 346.471 3.641 20 0 EHADRM CCC(CC)(CCOC(=O)[C@H]1CCC(=O)c2ccccc21)C(=O)[O-] ZINC001595060023 979313604 /nfs/dbraw/zinc/31/36/04/979313604.db2.gz ZVQKRJHIUCRRCM-HNNXBMFYSA-N -1 0 332.396 3.571 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc(C(=O)[O-])nc1)c1ccccc1 ZINC001595071235 979340490 /nfs/dbraw/zinc/34/04/90/979340490.db2.gz NIIMOCAZOCZKFT-UHFFFAOYSA-N -1 0 341.411 3.659 20 0 EHADRM C[C@@H](COC(=O)C12CCC(C(=O)[O-])(CC1)CC2)Cc1ccc(F)cc1 ZINC001592764398 979366447 /nfs/dbraw/zinc/36/64/47/979366447.db2.gz KMHMYJNAAKSKDR-WPUWVODUSA-N -1 0 348.414 3.973 20 0 EHADRM CCC(CC)(NC(=O)/C=C(\C)C12CC3CC(CC(C3)C1)C2)C(=O)[O-] ZINC001595090956 979383720 /nfs/dbraw/zinc/38/37/20/979383720.db2.gz OTLKBEKNSBWBTN-AWNIVKPZSA-N -1 0 333.472 3.909 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)/C=C\C2CCCCCC2)nc1C1CC1 ZINC000846122675 979409013 /nfs/dbraw/zinc/40/90/13/979409013.db2.gz LCWYPPRTQBSSCB-GHXNOFRVSA-N -1 0 342.439 3.800 20 0 EHADRM CCC(CC)[C@H](NC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001595105993 979427841 /nfs/dbraw/zinc/42/78/41/979427841.db2.gz FNAFPIYKTHMRAT-BBWFWOEESA-N -1 0 332.444 3.669 20 0 EHADRM O=C([O-])C[C@H](CNc1nc(C(F)(F)F)nc2ccccc21)C1CC1 ZINC000849348948 979500168 /nfs/dbraw/zinc/50/01/68/979500168.db2.gz WFLLCTVGWPUEKP-SNVBAGLBSA-N -1 0 339.317 3.561 20 0 EHADRM CCC(CC)n1nc(C(=O)N(CC(C)C)C(C)(C)C(=O)[O-])cc1C ZINC001595124318 979503180 /nfs/dbraw/zinc/50/31/80/979503180.db2.gz ANVJCXRUNFBVFX-UHFFFAOYSA-N -1 0 337.464 3.514 20 0 EHADRM Cc1noc(C)c1[C@H](C)CC(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000274702244 1014581199 /nfs/dbraw/zinc/58/11/99/1014581199.db2.gz OBSYZOLXHIBWGI-SSDOTTSWSA-N -1 0 326.755 3.922 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)NC1(CCC(=O)[O-])CCCCC1 ZINC001595126017 979514313 /nfs/dbraw/zinc/51/43/13/979514313.db2.gz GKBANSIMPSKFSR-UHFFFAOYSA-N -1 0 349.475 3.850 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1ccc(Nc2cccnc2)cc1 ZINC000851598126 979514665 /nfs/dbraw/zinc/51/46/65/979514665.db2.gz KXMDUVDSHCVQOI-UHFFFAOYSA-N -1 0 341.411 3.590 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)o1 ZINC000851607899 979533743 /nfs/dbraw/zinc/53/37/43/979533743.db2.gz VGLSZAOBUGFXON-XMTZHVTGSA-N -1 0 343.354 3.583 20 0 EHADRM Cc1cc([C@H](NC(=O)c2ccc(/C=C\C(=O)[O-])o2)C2CC2)ccc1F ZINC000851609620 979537312 /nfs/dbraw/zinc/53/73/12/979537312.db2.gz XZNLGJZXSZOFBJ-OTIVFRFGSA-N -1 0 343.354 3.706 20 0 EHADRM C[C@H](CSCc1ccccc1)C(=O)Nc1cccc(C(=O)[O-])c1O ZINC001592826149 979548277 /nfs/dbraw/zinc/54/82/77/979548277.db2.gz UKHTXLZZVSTAJG-GFCCVEGCSA-N -1 0 345.420 3.598 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC001592830487 979556051 /nfs/dbraw/zinc/55/60/51/979556051.db2.gz WTJVZRGEAOURAX-PBHICJAKSA-N -1 0 349.496 3.955 20 0 EHADRM CC(C)c1ccc(C[C@@H](C)NC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC001592833126 979568518 /nfs/dbraw/zinc/56/85/18/979568518.db2.gz BNCSIZZIPGZZSB-CFRMROPGSA-N -1 0 341.407 3.862 20 0 EHADRM CC[C@](CNC(=O)[C@H](C)c1ccccc1C)(C(=O)[O-])c1ccccc1 ZINC001595135460 979576126 /nfs/dbraw/zinc/57/61/26/979576126.db2.gz SUCKUFCWMBNWBF-IIBYNOLFSA-N -1 0 339.435 3.647 20 0 EHADRM CC(C)(C(=O)[O-])n1cc(Nc2ccc(C(F)(F)F)c(Cl)n2)cn1 ZINC000852912504 979584645 /nfs/dbraw/zinc/58/46/45/979584645.db2.gz SEGAUEWKUSSRTH-UHFFFAOYSA-N -1 0 348.712 3.514 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001592840374 979606126 /nfs/dbraw/zinc/60/61/26/979606126.db2.gz YVTYOLKLLCECTR-NSHDSACASA-N -1 0 347.802 3.528 20 0 EHADRM CC[C@](CNC(=O)Nc1ccc(F)cc1F)(C(=O)[O-])c1ccccc1 ZINC001595154257 979659123 /nfs/dbraw/zinc/65/91/23/979659123.db2.gz LBNVVBGPNIJUMQ-GOSISDBHSA-N -1 0 348.349 3.519 20 0 EHADRM Cc1ccc(C(=O)NCCCO[C@H](C)c2ccccc2)cc1C(=O)[O-] ZINC000864101461 979684973 /nfs/dbraw/zinc/68/49/73/979684973.db2.gz ARRSHEFHUFYDGK-OAHLLOKOSA-N -1 0 341.407 3.591 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)/C=C\c2cc(C(=O)[O-])co2)cc1 ZINC000864103232 979689048 /nfs/dbraw/zinc/68/90/48/979689048.db2.gz XGMZIFWCRYUUBE-JJEJIETFSA-N -1 0 325.364 3.663 20 0 EHADRM Cc1ccc(C[C@H]2CCCN2C(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC000864108039 979697078 /nfs/dbraw/zinc/69/70/78/979697078.db2.gz JMGJEFHKBCJPRC-PXUDHTSWSA-N -1 0 339.391 3.533 20 0 EHADRM O=C([O-])c1coc(/C=C\C(=O)N2CCC[C@@H](c3ccccc3)CC2)c1 ZINC000864108273 979697223 /nfs/dbraw/zinc/69/72/23/979697223.db2.gz RNNZKGCNCGZJCM-HLRDLLSLSA-N -1 0 339.391 3.787 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N2C[C@H]3CCCC[C@@H]3C2)cc1)C(=O)[O-] ZINC001592861721 979701958 /nfs/dbraw/zinc/70/19/58/979701958.db2.gz WDDWIQYZGFDFLP-FVQBIDKESA-N -1 0 330.428 3.604 20 0 EHADRM CC[C@@](C)(NC(=O)Cc1coc2c1ccc(Cl)c2Cl)C(=O)[O-] ZINC000864115080 979707616 /nfs/dbraw/zinc/70/76/16/979707616.db2.gz LHIDQFMVRPBEAJ-OAHLLOKOSA-N -1 0 344.194 3.652 20 0 EHADRM COc1ccccc1-c1ccc(C(=O)NC(C)(C)CCC(=O)[O-])s1 ZINC000864116578 979709263 /nfs/dbraw/zinc/70/92/63/979709263.db2.gz SPPZEXDVTXQYEE-UHFFFAOYSA-N -1 0 347.436 3.797 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)NC2(C(F)F)CCCC2)cc1)C(=O)[O-] ZINC001592867351 979714644 /nfs/dbraw/zinc/71/46/44/979714644.db2.gz OWWLJLLNEHAWLB-NSHDSACASA-N -1 0 340.370 3.649 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)NC[C@@H]2CCCC23CC3)cc1)C(=O)[O-] ZINC001592867925 979717155 /nfs/dbraw/zinc/71/71/55/979717155.db2.gz SQKCRIGZIVJXKC-ZFWWWQNUSA-N -1 0 330.428 3.652 20 0 EHADRM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000864123361 979721760 /nfs/dbraw/zinc/72/17/60/979721760.db2.gz MUPHHFNESHGSRI-LPTSXCQYSA-N -1 0 329.421 3.508 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N[C@@H]2CCc3ccccc32)cc1)C(=O)[O-] ZINC001592871261 979723037 /nfs/dbraw/zinc/72/30/37/979723037.db2.gz CRNAQCGURCTFOK-FZKQIMNGSA-N -1 0 338.407 3.759 20 0 EHADRM CC[C@H]1c2ccccc2CCN1C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000864128715 979729290 /nfs/dbraw/zinc/72/92/90/979729290.db2.gz RFJSJSYLMLQZKF-OZSKJFCKSA-N -1 0 325.364 3.527 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2c[nH]c(C(F)(F)F)c2)cc1)C(=O)[O-] ZINC001592872555 979730407 /nfs/dbraw/zinc/73/04/07/979730407.db2.gz IJARJOXOXWORFF-VIFPVBQESA-N -1 0 340.301 3.549 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3)cc1)C(=O)[O-] ZINC001592873152 979734056 /nfs/dbraw/zinc/73/40/56/979734056.db2.gz RBHSSNZESGWFCA-ZDUSSCGKSA-N -1 0 338.407 3.560 20 0 EHADRM C[C@@H](CCc1ccc(F)cc1)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000864137658 979741200 /nfs/dbraw/zinc/74/12/00/979741200.db2.gz FTOYYKXBPOJTAZ-GUYCJALGSA-N -1 0 341.382 3.609 20 0 EHADRM CC[C@@](CNc1cc(C)nc(C2CC2)n1)(C(=O)[O-])c1ccccc1 ZINC001595172976 979748589 /nfs/dbraw/zinc/74/85/89/979748589.db2.gz WCLADILKMHQTJN-IBGZPJMESA-N -1 0 325.412 3.507 20 0 EHADRM CC[C@@](CNc1ncnc2sccc21)(C(=O)[O-])c1ccccc1 ZINC001595175790 979761063 /nfs/dbraw/zinc/76/10/63/979761063.db2.gz FJQRBYPXXYISSQ-KRWDZBQOSA-N -1 0 327.409 3.536 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC001592885811 979771606 /nfs/dbraw/zinc/77/16/06/979771606.db2.gz SUXKUKSLFLUTBG-LBPRGKRZSA-N -1 0 332.783 3.751 20 0 EHADRM CCCc1ccccc1NS(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000471123423 1014596083 /nfs/dbraw/zinc/59/60/83/1014596083.db2.gz GACBGJJTJXEXQY-UHFFFAOYSA-N -1 0 347.436 3.755 20 0 EHADRM CC[C@H](COC(=O)c1ccccc1SCc1ccco1)C(=O)[O-] ZINC001595183108 979813093 /nfs/dbraw/zinc/81/30/93/979813093.db2.gz LFBCCJXCPHTRNQ-GFCCVEGCSA-N -1 0 334.393 3.840 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2C[C@H](c3ccccc3)c3ccccc32)C1 ZINC000864178174 979823152 /nfs/dbraw/zinc/82/31/52/979823152.db2.gz YBJZOIINAUIETK-LZLYRXPVSA-N -1 0 335.403 3.666 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)NCC2(C(F)(F)F)CCCC2)c1 ZINC000864179599 979826728 /nfs/dbraw/zinc/82/67/28/979826728.db2.gz ZGGVJJQFNLBIBX-UHFFFAOYSA-N -1 0 349.736 3.891 20 0 EHADRM C[C@H](Cc1ccsc1)NC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001592906161 979843283 /nfs/dbraw/zinc/84/32/83/979843283.db2.gz LVMTXQCWRDWJGG-QWHCGFSZSA-N -1 0 346.452 3.764 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N[C@@H](C)Cc2ccsc2)cc1)C(=O)[O-] ZINC001592906160 979843354 /nfs/dbraw/zinc/84/33/54/979843354.db2.gz LVMTXQCWRDWJGG-OLZOCXBDSA-N -1 0 346.452 3.764 20 0 EHADRM O=C(NCc1ccccc1OC1CCC1)c1c([O-])cc(F)cc1F ZINC000605335155 1014606667 /nfs/dbraw/zinc/60/66/67/1014606667.db2.gz QECRHHNJJLPDCS-UHFFFAOYSA-N -1 0 333.334 3.532 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N[C@@](C)(CC(=O)[O-])C1CC1 ZINC000864198253 979868656 /nfs/dbraw/zinc/86/86/56/979868656.db2.gz SWBZZMJGEVAPCG-SFHVURJKSA-N -1 0 347.436 3.669 20 0 EHADRM C[C@H](Cc1nnc(SCc2ccoc2C(=O)[O-])o1)c1ccccc1 ZINC001592912964 979883107 /nfs/dbraw/zinc/88/31/07/979883107.db2.gz QNEJHHWLXCZFPZ-LLVKDONJSA-N -1 0 344.392 3.999 20 0 EHADRM C[C@@H](Cc1noc(-c2ccc(OCC(=O)[O-])cc2)n1)c1ccccc1 ZINC001592913085 979885037 /nfs/dbraw/zinc/88/50/37/979885037.db2.gz UIPMECJVSIJBGT-ZDUSSCGKSA-N -1 0 338.363 3.546 20 0 EHADRM CC(C)(C)c1ccc(CNC(=O)CCc2ccccc2C(=O)[O-])o1 ZINC000864216521 979904484 /nfs/dbraw/zinc/90/44/84/979904484.db2.gz GYEVCBAPVMJKOI-UHFFFAOYSA-N -1 0 329.396 3.524 20 0 EHADRM CC1(C)[C@H](c2ccccc2F)CCN1C(=O)c1cc(C(=O)[O-])co1 ZINC000864218640 979908099 /nfs/dbraw/zinc/90/80/99/979908099.db2.gz ZEVNMQADBHUEIG-ZDUSSCGKSA-N -1 0 331.343 3.525 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)[C@H](C)Cc2ccccc2F)c1 ZINC000864228914 979922187 /nfs/dbraw/zinc/92/21/87/979922187.db2.gz GTXHHISRTLOABZ-KDOFPFPSSA-N -1 0 343.398 3.645 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)[C@@H](C)Cc2ccccc2F)c1 ZINC000864228912 979922294 /nfs/dbraw/zinc/92/22/94/979922294.db2.gz GTXHHISRTLOABZ-KBXCAEBGSA-N -1 0 343.398 3.645 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001595204505 979977672 /nfs/dbraw/zinc/97/76/72/979977672.db2.gz KCLXIKPKTBJIMP-FGTMMUONSA-N -1 0 331.456 3.666 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC001595211719 979993872 /nfs/dbraw/zinc/99/38/72/979993872.db2.gz UYJMRBBLZGHHBS-QGZVFWFLSA-N -1 0 331.456 3.810 20 0 EHADRM CC[C@@H](Cc1ccccc1)NC(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001595212663 980001740 /nfs/dbraw/zinc/00/17/40/980001740.db2.gz GQMDFHYKRNCWFR-KRWDZBQOSA-N -1 0 346.471 3.732 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(CC)C(=O)NCC(C)(C)CC(=O)[O-] ZINC001595212687 980001774 /nfs/dbraw/zinc/00/17/74/980001774.db2.gz HGHINIOBHWIYAH-INIZCTEOSA-N -1 0 334.460 3.540 20 0 EHADRM CC(F)(F)c1ccccc1NC(=O)N[C@@H](CC(=O)[O-])C1CCCC1 ZINC001592943726 980016374 /nfs/dbraw/zinc/01/63/74/980016374.db2.gz BGFYBKLUICNBGV-AWEZNQCLSA-N -1 0 340.370 3.953 20 0 EHADRM CC(F)(F)c1cccc(NC(=O)NCCc2ccccc2C(=O)[O-])c1 ZINC001592944717 980023222 /nfs/dbraw/zinc/02/32/22/980023222.db2.gz PPSHFRKPHOMFKF-UHFFFAOYSA-N -1 0 348.349 3.861 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001595219042 980036462 /nfs/dbraw/zinc/03/64/62/980036462.db2.gz MXUGPSMTMLQGNQ-MRXNPFEDSA-N -1 0 331.456 3.858 20 0 EHADRM CCC(F)(F)c1ccccc1NC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001595225940 980074829 /nfs/dbraw/zinc/07/48/29/980074829.db2.gz PBYLGYNAFCPPJR-GDLVEWKHSA-N -1 0 338.354 3.563 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)c1 ZINC000872697684 980075830 /nfs/dbraw/zinc/07/58/30/980075830.db2.gz POBMZNJODHULEG-CQSZACIVSA-N -1 0 347.436 3.871 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cc2csc(C3CCCC3)n2)cc1 ZINC000872697243 980075889 /nfs/dbraw/zinc/07/58/89/980075889.db2.gz IIJANWFGNFMVLH-UHFFFAOYSA-N -1 0 330.409 3.680 20 0 EHADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CCCCC[C@@H]2c2ccccc2)O1 ZINC000872716214 980095297 /nfs/dbraw/zinc/09/52/97/980095297.db2.gz NFRFAUAGKLDKNL-RCCFBDPRSA-N -1 0 345.439 3.543 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)c2sccc2C(F)F)c1 ZINC000872741300 980135248 /nfs/dbraw/zinc/13/52/48/980135248.db2.gz CDIMMEYFIYZDIY-GFCCVEGCSA-N -1 0 339.363 3.940 20 0 EHADRM CC[C@@](NC(=O)[C@H]1CC2CCC1CC2)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595237139 980143033 /nfs/dbraw/zinc/14/30/33/980143033.db2.gz YZEFWSOALYFBDL-ODWOUJTBSA-N -1 0 349.858 3.972 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)c1ccc(-c3ccc(F)cc3)o1)CC2 ZINC000872768836 980157085 /nfs/dbraw/zinc/15/70/85/980157085.db2.gz NSIWBKKYQOBYOO-APWZRJJASA-N -1 0 343.354 3.555 20 0 EHADRM C[C@@H](NC(=O)C(C)(C)C1CCCC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001592990048 980176970 /nfs/dbraw/zinc/17/69/70/980176970.db2.gz MXKQBFLKLFIHCD-RHSMWYFYSA-N -1 0 331.456 3.651 20 0 EHADRM CC[C@H](NC(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccc(OC)cc1 ZINC001595251779 980213666 /nfs/dbraw/zinc/21/36/66/980213666.db2.gz DLZUOMUGJOEWPB-HNNXBMFYSA-N -1 0 346.358 3.805 20 0 EHADRM C[C@@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1c(F)cccc1Cl ZINC001593009426 980236736 /nfs/dbraw/zinc/23/67/36/980236736.db2.gz QWVOZFLLJWJABR-BNICOGTQSA-N -1 0 337.734 3.661 20 0 EHADRM CC[C@H](NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)[C@@H]1CC1(C)C ZINC001595256360 980237006 /nfs/dbraw/zinc/23/70/06/980237006.db2.gz BFKMIKVRWUINFG-CABZTGNLSA-N -1 0 326.343 3.609 20 0 EHADRM C[C@@H](NC(=O)C[C@H]1CCCCC1(C)C)c1ccc(OCC(=O)[O-])cc1 ZINC001593014122 980252636 /nfs/dbraw/zinc/25/26/36/980252636.db2.gz DRBZQMRKQNPIPT-GDBMZVCRSA-N -1 0 347.455 3.934 20 0 EHADRM CC[C@H](NC(=O)c1cc(C)c(C(=O)[O-])o1)c1ccc(Cl)s1 ZINC001595265306 980274524 /nfs/dbraw/zinc/27/45/24/980274524.db2.gz OWVHPJZOSZEPKH-QMMMGPOBSA-N -1 0 327.789 3.882 20 0 EHADRM C[C@H]1[C@H](Nc2ccc(Cl)c(C[S@@](C)=O)c2)CC[C@H]1CC(=O)[O-] ZINC000901441543 980290220 /nfs/dbraw/zinc/29/02/20/980290220.db2.gz JWCMBRCXCJFZIB-WMFMVFFOSA-N -1 0 343.876 3.520 20 0 EHADRM O=C([O-])C[C@H]1CN(Cc2ccc(Sc3ccccc3)cc2)CCO1 ZINC000901500626 980319659 /nfs/dbraw/zinc/31/96/59/980319659.db2.gz CTXOZWFHIRYSLV-INIZCTEOSA-N -1 0 343.448 3.513 20 0 EHADRM C[C@@H](NC(=O)N1CCC(CC(=O)[O-])CC1)c1cccc(C2CC2)c1 ZINC001593054247 980363370 /nfs/dbraw/zinc/36/33/70/980363370.db2.gz MRQVEXLYTQLDIW-CYBMUJFWSA-N -1 0 330.428 3.521 20 0 EHADRM COC[C@@H](C)Oc1ccc(CNc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000901638737 980420090 /nfs/dbraw/zinc/42/00/90/980420090.db2.gz GDZCRGVAHWLKBS-OAHLLOKOSA-N -1 0 343.423 3.730 20 0 EHADRM CC[C@H](NCc1cc(COC(C)(C)C)on1)c1ccc(C(=O)[O-])cc1 ZINC001595299262 980425991 /nfs/dbraw/zinc/42/59/91/980425991.db2.gz NVLATUIMEVOGFN-KRWDZBQOSA-N -1 0 346.427 3.929 20 0 EHADRM CC[C@](NCc1nccc(Cl)c1Cl)(C(=O)[O-])c1ccccc1 ZINC001595306214 980456017 /nfs/dbraw/zinc/45/60/17/980456017.db2.gz WOYYUJWLEYDYFB-MRXNPFEDSA-N -1 0 339.222 3.868 20 0 EHADRM O=C([O-])c1ccc(CN[C@@H](CCc2ccccc2)C(F)F)c(F)c1 ZINC000901757631 980489073 /nfs/dbraw/zinc/48/90/73/980489073.db2.gz HRGDEKUQNCOHQB-INIZCTEOSA-N -1 0 337.341 3.880 20 0 EHADRM CC[C@H](Nc1cccc(N2CCOCC2)c1)c1ccc(C(=O)[O-])cc1 ZINC001595317987 980497395 /nfs/dbraw/zinc/49/73/95/980497395.db2.gz DHDDUHDSILDLIL-IBGZPJMESA-N -1 0 340.423 3.785 20 0 EHADRM O=C([O-])c1cc(NCc2cc(C3CC3)no2)ccc1N1CCCCC1 ZINC000901776002 980506492 /nfs/dbraw/zinc/50/64/92/980506492.db2.gz OOABDPIOIXWMOV-UHFFFAOYSA-N -1 0 341.411 3.853 20 0 EHADRM O=C([O-])[C@H](C[C@H]1CCCc2ccccc21)NCc1cc(C2CC2)no1 ZINC000901842897 980563587 /nfs/dbraw/zinc/56/35/87/980563587.db2.gz MTQDSFCNOVQAGW-BEFAXECRSA-N -1 0 340.423 3.605 20 0 EHADRM CC[C@@H](OC(=O)/C(=C/c1ccccc1OC)c1ccccc1)C(=O)[O-] ZINC001595331526 980571711 /nfs/dbraw/zinc/57/17/11/980571711.db2.gz GBAGLBNBJPKTOJ-HJUDDPQBSA-N -1 0 340.375 3.642 20 0 EHADRM CCc1ccc(O)c([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)c1 ZINC000471131867 1014671791 /nfs/dbraw/zinc/67/17/91/1014671791.db2.gz SXHNAADIILXUQH-UHFFFAOYSA-N -1 0 343.807 3.856 20 0 EHADRM CC[C@H](OC(=O)c1cc(-c2ccc(C)o2)nc2ccccc21)C(=O)[O-] ZINC001595345212 980630645 /nfs/dbraw/zinc/63/06/45/980630645.db2.gz RHLOOWKEXADICR-INIZCTEOSA-N -1 0 339.347 3.823 20 0 EHADRM CC[C@H](OC(=O)c1ccccc1SCc1c(C)noc1C)C(=O)[O-] ZINC001595352642 980671861 /nfs/dbraw/zinc/67/18/61/980671861.db2.gz DFXRQEFNEYNMOH-AWEZNQCLSA-N -1 0 349.408 3.604 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001595354653 980693772 /nfs/dbraw/zinc/69/37/72/980693772.db2.gz BBJFGZWKTNVKLP-XHSDSOJGSA-N -1 0 339.476 3.512 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC001595354862 980696232 /nfs/dbraw/zinc/69/62/32/980696232.db2.gz GZNJODJABFADLK-PQEBFOHHSA-N -1 0 339.476 3.510 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC001595355185 980699607 /nfs/dbraw/zinc/69/96/07/980699607.db2.gz QZCMJMYHIIVMHX-OAGGEKHMSA-N -1 0 339.476 3.606 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC001595356987 980718057 /nfs/dbraw/zinc/71/80/57/980718057.db2.gz PZDDQXJVKHWKGN-INIZCTEOSA-N -1 0 347.455 3.694 20 0 EHADRM CCc1oc(CNc2cc(OC)c(Cl)cc2OC)cc1C(=O)[O-] ZINC000902064837 980718182 /nfs/dbraw/zinc/71/81/82/980718182.db2.gz HPMCFSIFYONATH-UHFFFAOYSA-N -1 0 339.775 3.823 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001595357463 980722782 /nfs/dbraw/zinc/72/27/82/980722782.db2.gz ZXYVKXUXZNMHGR-SJORKVTESA-N -1 0 347.455 3.550 20 0 EHADRM CC[C@@H](Oc1ccccc1F)C(=O)Nc1scc(C)c1C(=O)[O-] ZINC001595357648 980724085 /nfs/dbraw/zinc/72/40/85/980724085.db2.gz HZFLNSFFTVTIIN-LLVKDONJSA-N -1 0 337.372 3.690 20 0 EHADRM CC[C@H](Oc1ccccc1F)C(=O)Nc1scc(C)c1C(=O)[O-] ZINC001595357649 980724265 /nfs/dbraw/zinc/72/42/65/980724265.db2.gz HZFLNSFFTVTIIN-NSHDSACASA-N -1 0 337.372 3.690 20 0 EHADRM C[C@H](CC(C)(C)CC(=O)[O-])Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000902093012 980729954 /nfs/dbraw/zinc/72/99/54/980729954.db2.gz MJOXTTVBWSAXKD-CQSZACIVSA-N -1 0 332.444 3.614 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC001595359062 980737634 /nfs/dbraw/zinc/73/76/34/980737634.db2.gz PKIQRJNBNKNJKH-OAHLLOKOSA-N -1 0 331.393 3.600 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)CCc1cccc(C)c1 ZINC001595362037 980767750 /nfs/dbraw/zinc/76/77/50/980767750.db2.gz UXDNKRCQCMTXOU-LJQANCHMSA-N -1 0 339.435 3.992 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC)C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001595363142 980779109 /nfs/dbraw/zinc/77/91/09/980779109.db2.gz BYPRGIUHXDHWLW-HNNXBMFYSA-N -1 0 327.384 3.785 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001595364375 980793030 /nfs/dbraw/zinc/79/30/30/980793030.db2.gz QRESXPVNVFSLSD-WKULXVSPSA-N -1 0 344.455 3.669 20 0 EHADRM CC[C@H](c1nnc(NC(=O)C[C@@H](C)CC(=O)[O-])s1)c1ccccc1 ZINC001595364650 980796035 /nfs/dbraw/zinc/79/60/35/980796035.db2.gz UOPSDUVJMXQGHP-YPMHNXCESA-N -1 0 347.440 3.519 20 0 EHADRM CC[C@H](c1ccccc1)N(CC)C(=O)c1cccc(CC(=O)[O-])c1 ZINC001595364758 980797505 /nfs/dbraw/zinc/79/75/05/980797505.db2.gz XQDBGWVYRABHNS-GOSISDBHSA-N -1 0 325.408 3.927 20 0 EHADRM CCc1nc([C@@H](C)NCc2ccnc3c(C(=O)[O-])cccc23)cs1 ZINC000902253422 980799861 /nfs/dbraw/zinc/79/98/61/980799861.db2.gz UVUHNPJYMRAMBC-LLVKDONJSA-N -1 0 341.436 3.803 20 0 EHADRM Cc1csc(C2(NCc3ccc(/C=C\C(=O)[O-])o3)CCCC2)n1 ZINC000902256769 980802636 /nfs/dbraw/zinc/80/26/36/980802636.db2.gz UIZIOUWSIIFXBD-SREVYHEPSA-N -1 0 332.425 3.701 20 0 EHADRM Cc1nc(CNCc2ccc(C(=O)[O-])cc2C(F)(F)F)sc1C ZINC000902293953 980820797 /nfs/dbraw/zinc/82/07/97/980820797.db2.gz ROIKMSAXTICUAP-UHFFFAOYSA-N -1 0 344.358 3.767 20 0 EHADRM CCC1(C)CCN(C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)CC1 ZINC001595371244 980849430 /nfs/dbraw/zinc/84/94/30/980849430.db2.gz SWFOJWXVMWASME-UHFFFAOYSA-N -1 0 329.400 3.910 20 0 EHADRM CC[C@@]1(C)Oc2ccc(NC(=O)c3ccc(/C=C/C(=O)[O-])o3)cc2O1 ZINC001595372681 980864716 /nfs/dbraw/zinc/86/47/16/980864716.db2.gz QSJVJLLZXCTQHC-YOCVDRLZSA-N -1 0 343.335 3.527 20 0 EHADRM CCC1(CC)Oc2ccc(NCc3ncc(C(=O)[O-])s3)cc2O1 ZINC001595376751 980908248 /nfs/dbraw/zinc/90/82/48/980908248.db2.gz LOZHUFIRNMHHAC-UHFFFAOYSA-N -1 0 334.397 3.741 20 0 EHADRM CCc1oc(CN2C[C@H](c3ccccc3)OC[C@H]2C)cc1C(=O)[O-] ZINC000902519180 980917168 /nfs/dbraw/zinc/91/71/68/980917168.db2.gz NJIUBLKFWMCRQG-FZKQIMNGSA-N -1 0 329.396 3.502 20 0 EHADRM CC[C@H]1[C@@H](C)CCN1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001595406105 980989717 /nfs/dbraw/zinc/98/97/17/980989717.db2.gz YMJZVYGXBBPYFD-CABZTGNLSA-N -1 0 342.342 3.639 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)C[C@@H]1CCO[C@H](CC)C1 ZINC001595409443 981007811 /nfs/dbraw/zinc/00/78/11/981007811.db2.gz YELKQQXBPXNEBJ-KBAYOESNSA-N -1 0 347.455 3.646 20 0 EHADRM CCC1CCC(N(C(=O)/C=C/c2cc(C(=O)[O-])co2)C2CC2)CC1 ZINC001595416272 981032245 /nfs/dbraw/zinc/03/22/45/981032245.db2.gz TWYQHSGVOLCZNN-MDZDMXLPSA-N -1 0 331.412 3.951 20 0 EHADRM CC[C@H](C(=O)NC1(C(=O)[O-])CCC(CC)CC1)c1ccc(F)cc1 ZINC001595420457 981035370 /nfs/dbraw/zinc/03/53/70/981035370.db2.gz MHJARDGVKDUDKR-LWGFOQHQSA-N -1 0 335.419 3.859 20 0 EHADRM CCC1CCC(NC(=O)[C@H]2[C@H](c3ccccc3)[C@@H]2C)(C(=O)[O-])CC1 ZINC001595420652 981037430 /nfs/dbraw/zinc/03/74/30/981037430.db2.gz WCZYLMQPZSFRNL-QUSALPHXSA-N -1 0 329.440 3.576 20 0 EHADRM CC[C@@H]1CCC[C@@H](CNc2ccc(C(=O)NCCC(=O)[O-])cc2)C1 ZINC001595432072 981056091 /nfs/dbraw/zinc/05/60/91/981056091.db2.gz IKECSHDOWYSFJA-HUUCEWRRSA-N -1 0 332.444 3.519 20 0 EHADRM CC[C@@H]1CCC[C@@H]1C(=O)N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001595436731 981070832 /nfs/dbraw/zinc/07/08/32/981070832.db2.gz VBNXNHDQITVDDC-DDTOSNHZSA-N -1 0 343.345 3.774 20 0 EHADRM CC[C@@H]1CCCC[C@H]1C(=O)Oc1cc(/C=C\C(=O)[O-])ccc1OC ZINC001595441272 981079263 /nfs/dbraw/zinc/07/92/63/981079263.db2.gz PHLDWNWPRWSIGF-RQFGCTGCSA-N -1 0 332.396 3.915 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)CCc1cccc(OC)c1 ZINC000905007649 981086132 /nfs/dbraw/zinc/08/61/32/981086132.db2.gz ZFGGZSXCXAKTPI-UHFFFAOYSA-N -1 0 327.380 3.527 20 0 EHADRM CC[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001595444581 981089559 /nfs/dbraw/zinc/08/95/59/981089559.db2.gz RJRKEDIZWWNSPX-ZWNOBZJWSA-N -1 0 339.823 3.866 20 0 EHADRM CC[C@@H]1CCCC[C@H]1OCC(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001595448672 981099846 /nfs/dbraw/zinc/09/98/46/981099846.db2.gz STBUOZHVYPPIAE-SPYBWZPUSA-N -1 0 339.476 3.512 20 0 EHADRM O=C([O-])c1ccccc1CCN[C@H](CCc1ccccc1)C(F)F ZINC000905762671 981146052 /nfs/dbraw/zinc/14/60/52/981146052.db2.gz WQNCYZRTIVQHPT-QGZVFWFLSA-N -1 0 333.378 3.783 20 0 EHADRM CC[C@H]1CN(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)CCS1 ZINC001595474766 981189308 /nfs/dbraw/zinc/18/93/08/981189308.db2.gz IVSWOVPODVFGIQ-VIFPVBQESA-N -1 0 346.811 3.537 20 0 EHADRM Cc1cc([C@H](C)NC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)c(C)s1 ZINC000907559706 981189926 /nfs/dbraw/zinc/18/99/26/981189926.db2.gz VVJPQWGXDFUIBT-UVIMBBFXSA-N -1 0 343.448 3.801 20 0 EHADRM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000907588106 981198140 /nfs/dbraw/zinc/19/81/40/981198140.db2.gz HXGWLUJIXBZPBF-XKVFNRALSA-N -1 0 333.453 3.625 20 0 EHADRM CC1=C(C)C[C@@](C)(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)CC1 ZINC000907623773 981201400 /nfs/dbraw/zinc/20/14/00/981201400.db2.gz JPULDLLTYHBRPS-FQEVSTJZSA-N -1 0 327.424 3.796 20 0 EHADRM O=C([O-])c1cccc2c1CCN2C(=O)c1coc(C2CCCCC2)n1 ZINC000907984363 981251320 /nfs/dbraw/zinc/25/13/20/981251320.db2.gz TZRILVDNRFPDRH-UHFFFAOYSA-N -1 0 340.379 3.623 20 0 EHADRM CC[C@H]1Cc2ccccc2CN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001595499493 981264535 /nfs/dbraw/zinc/26/45/35/981264535.db2.gz KDMYZBUZRMQHEJ-HNNXBMFYSA-N -1 0 342.370 3.893 20 0 EHADRM CC[C@H]1c2ccsc2CCN1C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001595505131 981281433 /nfs/dbraw/zinc/28/14/33/981281433.db2.gz YINSRTQSOCNGTP-HNNXBMFYSA-N -1 0 329.421 3.904 20 0 EHADRM CC/C=C(/F)C(=O)N(C)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001595508818 981298047 /nfs/dbraw/zinc/29/80/47/981298047.db2.gz XVXWESPQSBXCGZ-SBKJXLNCSA-N -1 0 334.174 3.841 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)Cc2ccc(F)cc2Cl)CCC1 ZINC000908337999 981302730 /nfs/dbraw/zinc/30/27/30/981302730.db2.gz GMZWVTWGLSJQFD-UHFFFAOYSA-N -1 0 341.810 3.563 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908338045 981302786 /nfs/dbraw/zinc/30/27/86/981302786.db2.gz GWXLHUPXSCWKAN-HNNXBMFYSA-N -1 0 349.446 3.936 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908338444 981303601 /nfs/dbraw/zinc/30/36/01/981303601.db2.gz JODLESGIBLZLLU-HNNXBMFYSA-N -1 0 339.476 3.656 20 0 EHADRM C[C@H](CC(=O)NCCCCC1(C(=O)[O-])CCC1)c1cccc(F)c1 ZINC000908340061 981304643 /nfs/dbraw/zinc/30/46/43/981304643.db2.gz UQVXXMLEDXEMIS-CQSZACIVSA-N -1 0 335.419 3.861 20 0 EHADRM Cc1ccc(CCCC(=O)NCCCCC2(C(=O)[O-])CCC2)cc1 ZINC000908343631 981305797 /nfs/dbraw/zinc/30/57/97/981305797.db2.gz QPPPGKDVWJMGFJ-UHFFFAOYSA-N -1 0 331.456 3.859 20 0 EHADRM COc1c(NC(=O)CC[C@H](C)c2ccccc2)cccc1C(=O)[O-] ZINC000908500176 981318637 /nfs/dbraw/zinc/31/86/37/981318637.db2.gz HDPDWLUNXYVRCR-ZDUSSCGKSA-N -1 0 327.380 3.916 20 0 EHADRM CC/C=C/CNC(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001595520556 981336742 /nfs/dbraw/zinc/33/67/42/981336742.db2.gz IKGJBZGRZPRTJJ-ONEGZZNKSA-N -1 0 342.848 3.995 20 0 EHADRM CC[C@H]1C[C@H](CC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CCO1 ZINC000908685631 981339682 /nfs/dbraw/zinc/33/96/82/981339682.db2.gz GVDGCFCBLGMJSK-PWSUYJOCSA-N -1 0 325.792 3.572 20 0 EHADRM CC(C)c1ccc2c(c1)CCCN2C(=O)c1ccoc1CC(=O)[O-] ZINC000908720429 981347019 /nfs/dbraw/zinc/34/70/19/981347019.db2.gz KDCGVNLGWQVPKD-UHFFFAOYSA-N -1 0 327.380 3.623 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)Nc1cccc(Cl)c1OC(C)C ZINC000908809564 981366653 /nfs/dbraw/zinc/36/66/53/981366653.db2.gz VCAZAUZUWASAHW-UHFFFAOYSA-N -1 0 337.759 3.979 20 0 EHADRM CCCC(=O)Nc1ccc(Cl)c(NCc2cccc(C(=O)[O-])n2)c1 ZINC001595531664 981367778 /nfs/dbraw/zinc/36/77/78/981367778.db2.gz PCCXBWQRLSIPQE-UHFFFAOYSA-N -1 0 347.802 3.784 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N[C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000908829004 981369673 /nfs/dbraw/zinc/36/96/73/981369673.db2.gz TYFZPXPHUXXXQO-XJKSGUPXSA-N -1 0 341.407 3.650 20 0 EHADRM CCS[C@H]1CC[C@@H](N(C)C(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1 ZINC000908835645 981372571 /nfs/dbraw/zinc/37/25/71/981372571.db2.gz PSMQPJVLMIEGCE-LHVTWPBJSA-N -1 0 339.501 3.544 20 0 EHADRM CCC[C@H](C(=O)O[C@H](C(=O)[O-])c1cccc(C)c1C)c1ccccn1 ZINC001595537083 981385852 /nfs/dbraw/zinc/38/58/52/981385852.db2.gz GQNXIQPVFVYUJF-WMZOPIPTSA-N -1 0 341.407 3.951 20 0 EHADRM CCCc1[nH]ccc1C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000908901579 981385916 /nfs/dbraw/zinc/38/59/16/981385916.db2.gz KJAFUVIRBFEHJV-UHFFFAOYSA-N -1 0 330.384 3.705 20 0 EHADRM Cc1nc(C2CC2)ccc1C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000908941930 981390639 /nfs/dbraw/zinc/39/06/39/981390639.db2.gz CIWWIMTWCLPBEN-GOSISDBHSA-N -1 0 338.407 3.603 20 0 EHADRM CCC[C@@H](C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)c1cccc(Cl)c1 ZINC001595539153 981397079 /nfs/dbraw/zinc/39/70/79/981397079.db2.gz YKGCLXOAVXTJDH-IEHFGQBSSA-N -1 0 349.858 3.839 20 0 EHADRM CCC[C@](C)(NC(=O)[C@H]1CC[C@@H]1c1ccc(Cl)cc1F)C(=O)[O-] ZINC001595545997 981406314 /nfs/dbraw/zinc/40/63/14/981406314.db2.gz BZIPNHJQEGPUHV-ZUCKAHLUSA-N -1 0 341.810 3.732 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc([C@H](C)C(F)(F)F)cc1 ZINC000909052343 981406581 /nfs/dbraw/zinc/40/65/81/981406581.db2.gz AKUJUNFLSPCSJA-ZUZCIYMTSA-N -1 0 331.334 3.726 20 0 EHADRM CSc1ccccc1CC(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000909068032 981410167 /nfs/dbraw/zinc/41/01/67/981410167.db2.gz IRKYEWVDDMDHMY-SCLBCKFNSA-N -1 0 343.448 3.529 20 0 EHADRM CC1(C)CC[C@@H](CC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)OC1 ZINC000909113252 981420475 /nfs/dbraw/zinc/42/04/75/981420475.db2.gz QIQSHTDVUDMODK-NSHDSACASA-N -1 0 325.792 3.572 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C(C)(C)c1ccc(F)cc1F ZINC000909134107 981423800 /nfs/dbraw/zinc/42/38/00/981423800.db2.gz PHCNYCFITJMUKI-UHFFFAOYSA-N -1 0 347.361 3.599 20 0 EHADRM CCC[C@@](C)(NC(=O)c1cccn1[C@H](C)Cc1ccccc1)C(=O)[O-] ZINC001595553210 981427879 /nfs/dbraw/zinc/42/78/79/981427879.db2.gz DASUVGXGFUGASR-FOIQADDNSA-N -1 0 342.439 3.665 20 0 EHADRM CCC[C@@H](C)C(=O)Nc1cc(OC)c(Br)cc1C(=O)[O-] ZINC001595570447 981473957 /nfs/dbraw/zinc/47/39/57/981473957.db2.gz CMDSTUWILJWMMM-MRVPVSSYSA-N -1 0 344.205 3.531 20 0 EHADRM CCC[C@@H](C)[C@@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001595571057 981477454 /nfs/dbraw/zinc/47/74/54/981477454.db2.gz IDJYQNQKCXRCIH-DOMZBBRYSA-N -1 0 334.416 3.826 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N1CCC[C@H]1c1ccccc1Cl ZINC000909402862 981485579 /nfs/dbraw/zinc/48/55/79/981485579.db2.gz NQLHLOFGXUZBGQ-AWEZNQCLSA-N -1 0 333.771 3.537 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@H]1CCC[C@H]1c1ccccc1)CC2 ZINC000909450829 981494866 /nfs/dbraw/zinc/49/48/66/981494866.db2.gz OQYVRNOHHDUHIJ-PMACEKPBSA-N -1 0 349.430 3.853 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cccc(C3CCC3)c2)C1 ZINC000909489386 981508076 /nfs/dbraw/zinc/50/80/76/981508076.db2.gz DYZVAWIYTIMKIH-QGZVFWFLSA-N -1 0 329.440 3.917 20 0 EHADRM CCC[C@@H](CC(C)C)C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001595585740 981525755 /nfs/dbraw/zinc/52/57/55/981525755.db2.gz BPVRITUYJASXKE-NSHDSACASA-N -1 0 339.457 3.920 20 0 EHADRM CCC[C@H](CC(C)C)C(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)[O-] ZINC001595586257 981530572 /nfs/dbraw/zinc/53/05/72/981530572.db2.gz UGWSSOVCWVXUAA-QZTJIDSGSA-N -1 0 333.472 3.817 20 0 EHADRM O=C([O-])C1(CNC(=O)c2scnc2C2CCCC2)CCCCC1 ZINC000909527297 981532135 /nfs/dbraw/zinc/53/21/35/981532135.db2.gz YREOYDDVLDBANS-UHFFFAOYSA-N -1 0 336.457 3.566 20 0 EHADRM Cc1ccsc1CCCC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000909576774 981546325 /nfs/dbraw/zinc/54/63/25/981546325.db2.gz DKOVTDFAEHLKRX-CQSZACIVSA-N -1 0 329.421 3.594 20 0 EHADRM C[C@H](NC(=O)C12CCC(C(=O)[O-])(CC1)CC2)c1cccc(F)c1F ZINC000909677637 981567879 /nfs/dbraw/zinc/56/78/79/981567879.db2.gz MSBHOXCNNKVNJD-NVWNAPEYSA-N -1 0 337.366 3.567 20 0 EHADRM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)c2ccoc2CC(=O)[O-])cc1 ZINC000909728237 981581877 /nfs/dbraw/zinc/58/18/77/981581877.db2.gz ZAQKIEONHFNKIS-DOTOQJQBSA-N -1 0 341.407 3.623 20 0 EHADRM CC[C@@H](CN(CC)C(=O)c1ccoc1CC(=O)[O-])c1ccccc1 ZINC000909728550 981582129 /nfs/dbraw/zinc/58/21/29/981582129.db2.gz ACPXTWCTCWXUGJ-AWEZNQCLSA-N -1 0 329.396 3.563 20 0 EHADRM CCC[C@H](NC(=O)Nc1cc(C(=O)[O-])cnc1Cl)C1CCCC1 ZINC001595600721 981583011 /nfs/dbraw/zinc/58/30/11/981583011.db2.gz WAIQQWCRHCGGLY-LBPRGKRZSA-N -1 0 339.823 3.914 20 0 EHADRM CCC[C@H](NC(=O)c1cccc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC001595600713 981583033 /nfs/dbraw/zinc/58/30/33/981583033.db2.gz NSNNTYXMAVRJHU-INIZCTEOSA-N -1 0 333.334 3.934 20 0 EHADRM C[C@@H](NC(=O)c1ccoc1CC(=O)[O-])C1(c2ccccc2)CCCC1 ZINC000909730304 981583324 /nfs/dbraw/zinc/58/33/24/981583324.db2.gz DIVVSVLZIYMPEI-CQSZACIVSA-N -1 0 341.407 3.537 20 0 EHADRM CN(CC1(c2ccccc2)CC1)C(=O)c1ccccc1CCC(=O)[O-] ZINC000909729512 981583433 /nfs/dbraw/zinc/58/34/33/981583433.db2.gz ZQBOKQMUUPGBPQ-UHFFFAOYSA-N -1 0 337.419 3.508 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N1CCCCC[C@H]1Cc1ccccc1Cl ZINC001594743471 981623864 /nfs/dbraw/zinc/62/38/64/981623864.db2.gz SERKSHSQMKJMDZ-GJZGRUSLSA-N -1 0 337.847 3.765 20 0 EHADRM CCC[C@@H](OCC)C(=O)Nc1cc(C(=O)[O-])cc(Cl)c1Cl ZINC001595615908 981639641 /nfs/dbraw/zinc/63/96/41/981639641.db2.gz UWUQNUXZOIDGER-LLVKDONJSA-N -1 0 334.199 3.835 20 0 EHADRM CCCC1(CNC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])CC1 ZINC001595616768 981645884 /nfs/dbraw/zinc/64/58/84/981645884.db2.gz AHTTXYWEDUCYMV-HNNXBMFYSA-N -1 0 332.444 3.718 20 0 EHADRM CCCC1(CNC(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)CC1 ZINC001595617060 981648600 /nfs/dbraw/zinc/64/86/00/981648600.db2.gz ORJJAJKJGOOMDA-UHFFFAOYSA-N -1 0 345.443 3.687 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)CCc2cccc(N(C)C)c2)cc1 ZINC000909836280 981656480 /nfs/dbraw/zinc/65/64/80/981656480.db2.gz NXMJRKVCSBUNDM-AWEZNQCLSA-N -1 0 340.423 3.512 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1nc(-c2cccc(Cl)c2)c(C)s1 ZINC001594762157 981697288 /nfs/dbraw/zinc/69/72/88/981697288.db2.gz RKXYQNFSRWXAFY-LLVKDONJSA-N -1 0 338.816 3.821 20 0 EHADRM CCC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001595621572 981700834 /nfs/dbraw/zinc/70/08/34/981700834.db2.gz LBGPLRAAUMVMSD-JSGCOSHPSA-N -1 0 334.416 3.874 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@H](C)c1ccc(F)cc1F)c1ccccc1 ZINC001594764520 981708670 /nfs/dbraw/zinc/70/86/70/981708670.db2.gz OQFAEGBJZRXXRF-SJKOYZFVSA-N -1 0 347.361 3.965 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(C(F)F)cc2)[C@@H]2CCCC[C@H]12 ZINC000909954454 981709715 /nfs/dbraw/zinc/70/97/15/981709715.db2.gz DAWJWFNMKSPJBA-RBSFLKMASA-N -1 0 337.366 3.730 20 0 EHADRM Cc1oc2ccccc2c1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000909955617 981710404 /nfs/dbraw/zinc/71/04/04/981710404.db2.gz ANAXGGMUXUCGLO-OFQRWUPVSA-N -1 0 341.407 3.847 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1cc(C)cc(Cl)n1)c1ccccc1 ZINC001594768126 981727771 /nfs/dbraw/zinc/72/77/71/981727771.db2.gz ORUSLGWPUJCRFD-CQSZACIVSA-N -1 0 332.787 3.553 20 0 EHADRM CCC/C=C/C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC001595624507 981733082 /nfs/dbraw/zinc/73/30/82/981733082.db2.gz XVTMDZGIWFZEDF-IHVVCDCBSA-N -1 0 345.317 3.574 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1ccc(C(C)(C)C)cn1)c1ccccc1 ZINC001594770715 981741880 /nfs/dbraw/zinc/74/18/80/981741880.db2.gz MXAHWAXGTVQFHC-QGZVFWFLSA-N -1 0 340.423 3.889 20 0 EHADRM CC[C@H](SC)C(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC000910079653 981754725 /nfs/dbraw/zinc/75/47/25/981754725.db2.gz BTFRWSVBJSMCQD-NSHDSACASA-N -1 0 346.246 3.536 20 0 EHADRM C[C@H](NC(=O)CC[C@H]1CCc2ccccc21)c1ncc(C(=O)[O-])s1 ZINC000910156434 981767852 /nfs/dbraw/zinc/76/78/52/981767852.db2.gz LVRJCDCGDQQGCT-WCQYABFASA-N -1 0 344.436 3.529 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)Cc1c(C)cccc1Cl ZINC001594780852 981785969 /nfs/dbraw/zinc/78/59/69/981785969.db2.gz ICDRGUVREIUKBA-SFHVURJKSA-N -1 0 337.847 3.683 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)C/C=C/c1ccc(C)cc1 ZINC001594780846 981786008 /nfs/dbraw/zinc/78/60/08/981786008.db2.gz IAGVSZJPWAZOMG-XJDXJNMNSA-N -1 0 329.440 3.890 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)C[C@@H]1CCc2ccccc21 ZINC001594782611 981792347 /nfs/dbraw/zinc/79/23/47/981792347.db2.gz SCFWDILWLXCVRT-JXFKEZNVSA-N -1 0 329.440 3.598 20 0 EHADRM C/C(=C/C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C)C1CC1 ZINC000910256211 981832565 /nfs/dbraw/zinc/83/25/65/981832565.db2.gz VDTGRBQKDLWMJN-VURMDHGXSA-N -1 0 338.201 3.751 20 0 EHADRM COc1cccc([C@@H](C)CCCC(=O)N2C3CCC2(C(=O)[O-])CC3)c1 ZINC000910299192 981854302 /nfs/dbraw/zinc/85/43/02/981854302.db2.gz ZDZKIUAGTPGSTJ-GPWPYBQESA-N -1 0 345.439 3.577 20 0 EHADRM CC[C@@H](Nc1ccc(C(=O)[O-])c(C)n1)c1ccc(OC)c(OC)c1 ZINC000910299856 981855547 /nfs/dbraw/zinc/85/55/47/981855547.db2.gz DQKWYQQHEQPAPO-CQSZACIVSA-N -1 0 330.384 3.669 20 0 EHADRM CCCC[C@H](CC)CNC(=S)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC001595632904 981861935 /nfs/dbraw/zinc/86/19/35/981861935.db2.gz VLRWMTUPIOJHSJ-XUWVNRHRSA-N -1 0 340.533 3.653 20 0 EHADRM CC[C@@H](C(=O)Nc1c(C)nn(CCC(=O)[O-])c1C)C1CCC(C)CC1 ZINC000910304101 981862526 /nfs/dbraw/zinc/86/25/26/981862526.db2.gz XJCZMXZSTRECOB-VDSRIPIWSA-N -1 0 349.475 3.766 20 0 EHADRM C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)C1 ZINC000910359999 981890519 /nfs/dbraw/zinc/89/05/19/981890519.db2.gz RNBKMNGZACWJCC-DIFFPNOSSA-N -1 0 349.390 3.566 20 0 EHADRM CCCC[C@@H](NC(=O)CCc1ccc(F)c2ccccc12)C(=O)[O-] ZINC001595635308 981901642 /nfs/dbraw/zinc/90/16/42/981901642.db2.gz MDKRHZBKTZPPOD-QGZVFWFLSA-N -1 0 331.387 3.671 20 0 EHADRM CC(C)(C)Oc1cccc(CNC(=O)C23CCC(C(=O)[O-])(CC2)C3)c1 ZINC000910381473 981906007 /nfs/dbraw/zinc/90/60/07/981906007.db2.gz MJDWFXYXLZOTKF-UHFFFAOYSA-N -1 0 345.439 3.515 20 0 EHADRM CCCC[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC001595636337 981915352 /nfs/dbraw/zinc/91/53/52/981915352.db2.gz NIIBLUGCKZHKRV-LLVKDONJSA-N -1 0 337.725 3.732 20 0 EHADRM CCC(C)(C)C1CCC2(C[C@H]2C(=O)Nc2ccn(CC(=O)[O-])n2)CC1 ZINC001594809517 981927031 /nfs/dbraw/zinc/92/70/31/981927031.db2.gz XTKYSCYNWANJNG-BIWSTMPVSA-N -1 0 347.459 3.539 20 0 EHADRM Cc1ccc(CCC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)c(C)c1 ZINC000910497190 981963625 /nfs/dbraw/zinc/96/36/25/981963625.db2.gz CRIFMOXIAMUZHC-UHFFFAOYSA-N -1 0 337.419 3.519 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1cccc(-c2cnco2)c1 ZINC000910505864 981971353 /nfs/dbraw/zinc/97/13/53/981971353.db2.gz AULHUPSYPDNYJC-UHFFFAOYSA-N -1 0 344.411 3.551 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1cnc2ccsc2c1 ZINC000910512273 981978476 /nfs/dbraw/zinc/97/84/76/981978476.db2.gz ZSRPGKLUIPSEBZ-UHFFFAOYSA-N -1 0 334.441 3.505 20 0 EHADRM CCCC[C@@H](OC(=O)c1csc(-c2ccccc2C)n1)C(=O)[O-] ZINC001595651511 982022117 /nfs/dbraw/zinc/02/21/17/982022117.db2.gz HCUDNDPLWXWIKF-CQSZACIVSA-N -1 0 333.409 3.919 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)CCNc1ccccc1C ZINC000910622876 982031372 /nfs/dbraw/zinc/03/13/72/982031372.db2.gz XOSVNJRYNQEDQB-UHFFFAOYSA-N -1 0 342.395 3.533 20 0 EHADRM CCCC[C@@H](SCC(=O)Nc1c(C)cccc1Cl)C(=O)[O-] ZINC001595655005 982042569 /nfs/dbraw/zinc/04/25/69/982042569.db2.gz HACDHFXMPQPKCZ-GFCCVEGCSA-N -1 0 329.849 3.964 20 0 EHADRM CC(C)c1c(NC(=O)CC(C)(C)CC(=O)[O-])cnn1-c1ccccc1 ZINC000910656622 982044647 /nfs/dbraw/zinc/04/46/47/982044647.db2.gz MTLMTLOUYOUDQF-UHFFFAOYSA-N -1 0 343.427 3.825 20 0 EHADRM CCCC[C@@H](SCC(=O)N(Cc1ccccc1)C(C)C)C(=O)[O-] ZINC001595656468 982053310 /nfs/dbraw/zinc/05/33/10/982053310.db2.gz YTKLAQIWHCMMPX-MRXNPFEDSA-N -1 0 337.485 3.800 20 0 EHADRM CC[C@](C)(NC(=O)Nc1cc(C)c(C(=O)[O-])cn1)c1ccc(F)cc1 ZINC001594841468 982054124 /nfs/dbraw/zinc/05/41/24/982054124.db2.gz IQIPCTUGNKIDEF-SFHVURJKSA-N -1 0 345.374 3.674 20 0 EHADRM CC[C@](C)(NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])C1CC1 ZINC001594841611 982056651 /nfs/dbraw/zinc/05/66/51/982056651.db2.gz LDNLTWAIUOVYMW-BEFAXECRSA-N -1 0 332.444 3.716 20 0 EHADRM CCCC[C@@H](Sc1ccc(C(=O)[O-])cc1)C(=O)Nc1cc(C)on1 ZINC001595657043 982059012 /nfs/dbraw/zinc/05/90/12/982059012.db2.gz HILALPDUUPJBCB-CQSZACIVSA-N -1 0 348.424 3.971 20 0 EHADRM CCCC[C@H](SCc1cccc(C(=O)NCC(C)C)c1)C(=O)[O-] ZINC001595657991 982068795 /nfs/dbraw/zinc/06/87/95/982068795.db2.gz YGGQECACYPBQCZ-INIZCTEOSA-N -1 0 337.485 3.949 20 0 EHADRM CCCCCC(C)(C)C(=O)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001595662339 982078262 /nfs/dbraw/zinc/07/82/62/982078262.db2.gz ADSYKXNLYVJMGE-DLBZAZTESA-N -1 0 347.455 3.625 20 0 EHADRM C/C(=C\c1ccco1)C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910718028 982079800 /nfs/dbraw/zinc/07/98/00/982079800.db2.gz GGISUPRPOHIFQC-LXKVQUBZSA-N -1 0 346.408 3.510 20 0 EHADRM Cc1oc(C)c(C(=O)N2CCC[C@H]2c2nc(C(=O)[O-])c(C)s2)c1C ZINC000910721359 982083780 /nfs/dbraw/zinc/08/37/80/982083780.db2.gz FEHWODIDRHIEIZ-LBPRGKRZSA-N -1 0 348.424 3.645 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)C=C2CCCCC2)nc1C(=O)[O-] ZINC000910727804 982091330 /nfs/dbraw/zinc/09/13/30/982091330.db2.gz APRUIWAJYCOWKT-ZDUSSCGKSA-N -1 0 334.441 3.704 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910733034 982095410 /nfs/dbraw/zinc/09/54/10/982095410.db2.gz GPPRMVIMAMCIIS-ZJUUUORDSA-N -1 0 348.449 3.831 20 0 EHADRM CC[C@@](C)(NCc1oc2ccccc2c1Br)C(=O)[O-] ZINC001594853138 982108121 /nfs/dbraw/zinc/10/81/21/982108121.db2.gz ITQYDVDPTLYJQM-CQSZACIVSA-N -1 0 326.190 3.538 20 0 EHADRM CCCCC[C@H](C)CC(=O)Nc1c2cccnc2n(C)c1C(=O)[O-] ZINC001595666832 982108273 /nfs/dbraw/zinc/10/82/73/982108273.db2.gz UEAIUSCFNTZZSJ-LBPRGKRZSA-N -1 0 331.416 3.817 20 0 EHADRM O=C([O-])CC1CC(NC(=O)c2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC000910807670 982128887 /nfs/dbraw/zinc/12/88/87/982128887.db2.gz ZRZJUHBTVFGVIP-UHFFFAOYSA-N -1 0 343.354 3.601 20 0 EHADRM CCC(CC)(C(=O)NC1CC(CC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000910814100 982134564 /nfs/dbraw/zinc/13/45/64/982134564.db2.gz XFGSELNTBVIXFS-UHFFFAOYSA-N -1 0 337.847 3.767 20 0 EHADRM C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)C[C@H]1CC(=O)[O-] ZINC000910862690 982152647 /nfs/dbraw/zinc/15/26/47/982152647.db2.gz HFFWJAMPSSDHSC-XEKGUZQTSA-N -1 0 337.419 3.513 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@H]2[C@@H](C)c2ccccc2)oc1C(=O)[O-] ZINC000910935520 982169687 /nfs/dbraw/zinc/16/96/87/982169687.db2.gz JCHKIDKAYFKIGI-ZFWWWQNUSA-N -1 0 327.380 3.695 20 0 EHADRM CC(C)(C)OCc1ccccc1NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000910943835 982169771 /nfs/dbraw/zinc/16/97/71/982169771.db2.gz IMBHNZBDVWYDAU-LUAWRHEFSA-N -1 0 343.379 3.945 20 0 EHADRM CO[C@H]1CCC[C@H](CC(=O)Nc2ccc(SC)c(C(=O)[O-])c2)C1 ZINC000910946386 982171572 /nfs/dbraw/zinc/17/15/72/982171572.db2.gz NQQRLWHFZBYONO-AAEUAGOBSA-N -1 0 337.441 3.641 20 0 EHADRM O=C([O-])c1cnc([C@@H]2CCN(C(=O)CCCC3CCCC3)C2)s1 ZINC000911036035 982201544 /nfs/dbraw/zinc/20/15/44/982201544.db2.gz XMPPUZXCOTXBRY-CYBMUJFWSA-N -1 0 336.457 3.518 20 0 EHADRM O=C([O-])c1cnc([C@@H]2CCN(C(=O)C3(C4CCCCC4)CC3)C2)s1 ZINC000911046520 982211649 /nfs/dbraw/zinc/21/16/49/982211649.db2.gz PLHGHMFNDACCKH-GFCCVEGCSA-N -1 0 348.468 3.518 20 0 EHADRM CC[C@H](C)[C@H](C)C(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001594882528 982248323 /nfs/dbraw/zinc/24/83/23/982248323.db2.gz YARASEQEONAWMM-RYUDHWBXSA-N -1 0 346.452 3.807 20 0 EHADRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)Nc2ccccc2-c2cccs2)C1 ZINC000911136968 982255436 /nfs/dbraw/zinc/25/54/36/982255436.db2.gz ZHWJEIJROVLIPR-QWHCGFSZSA-N -1 0 345.420 3.624 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc3ccc(O)cc32)CC2(CCC2)C1 ZINC000911155878 982262199 /nfs/dbraw/zinc/26/21/99/982262199.db2.gz VNWLYVFNKGQFBY-UHFFFAOYSA-N -1 0 325.364 3.519 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)CCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC001594887172 982269715 /nfs/dbraw/zinc/26/97/15/982269715.db2.gz JNZUPMFBKONELD-XPTSAGLGSA-N -1 0 332.227 3.542 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)CCCOc1cccc2ccccc21)C(=O)[O-] ZINC001594887775 982275388 /nfs/dbraw/zinc/27/53/88/982275388.db2.gz URJXAGAYAAIIKJ-KUHUBIRLSA-N -1 0 343.423 3.614 20 0 EHADRM CCCCCCO[C@@H](C)C(=O)N1CCCc2c(C)ccc(C(=O)[O-])c21 ZINC001595711211 982298520 /nfs/dbraw/zinc/29/85/20/982298520.db2.gz RTPAHLXKPHNTJB-HNNXBMFYSA-N -1 0 347.455 3.958 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1 ZINC000911248277 982312465 /nfs/dbraw/zinc/31/24/65/982312465.db2.gz PUMVZGQCLRLUPM-SUMWQHHRSA-N -1 0 326.396 3.909 20 0 EHADRM CCCCC(=O)N(Cc1ccoc1C(=O)[O-])[C@@H](C)c1ccccn1 ZINC000911326690 982350495 /nfs/dbraw/zinc/35/04/95/982350495.db2.gz HXZWKKISIIAKPJ-ZDUSSCGKSA-N -1 0 330.384 3.653 20 0 EHADRM CCN(C(=O)CCCC(=O)[O-])[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC000911353568 982376363 /nfs/dbraw/zinc/37/63/63/982376363.db2.gz UOAKBGUGCIKMFS-FQEVSTJZSA-N -1 0 340.423 3.583 20 0 EHADRM Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)c1cccc(CC(=O)[O-])c1 ZINC000911397797 982417141 /nfs/dbraw/zinc/41/71/41/982417141.db2.gz DLBVTPSWLBBXCW-SFHVURJKSA-N -1 0 341.382 3.739 20 0 EHADRM CN(C(=O)C12CCC(C(=O)[O-])(CC1)CC2)c1ccc2cc[nH]c2c1 ZINC000911408685 982419723 /nfs/dbraw/zinc/41/97/23/982419723.db2.gz VKXFGUZULXSNDL-UHFFFAOYSA-N -1 0 326.396 3.556 20 0 EHADRM O=C([O-])c1coc(C(=O)Nc2cccc(N3CCCCCC3)c2)c1 ZINC000911422966 982425905 /nfs/dbraw/zinc/42/59/05/982425905.db2.gz GMDAOZHKXBWZTD-UHFFFAOYSA-N -1 0 328.368 3.611 20 0 EHADRM CCc1nc(C)c([C@@H](C)N(C)C(=O)/C=C/c2cc(C(=O)[O-])co2)s1 ZINC000911426365 982427044 /nfs/dbraw/zinc/42/70/44/982427044.db2.gz DYFYPMKIVGQLPC-XUIVZRPNSA-N -1 0 348.424 3.538 20 0 EHADRM CCCCNC(=S)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC001595759229 982464451 /nfs/dbraw/zinc/46/44/51/982464451.db2.gz UWSIPQQIMOJJSS-UHFFFAOYSA-N -1 0 345.262 3.542 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4)C3)(CC1)C2 ZINC000911575426 982512752 /nfs/dbraw/zinc/51/27/52/982512752.db2.gz ZYQZHKJPDYEXEI-NPSWJUPGSA-N -1 0 345.414 3.613 20 0 EHADRM CCCCOc1ccc(C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001595776540 982543414 /nfs/dbraw/zinc/54/34/14/982543414.db2.gz DGHMXTSOVZEAHQ-SFHVURJKSA-N -1 0 347.455 3.876 20 0 EHADRM CC[C@H](C)[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)[O-] ZINC001594930671 982554849 /nfs/dbraw/zinc/55/48/49/982554849.db2.gz ZDUYTSMJGGFQJT-WFASDCNBSA-N -1 0 345.468 3.795 20 0 EHADRM CCCCOc1ccc(NC(=O)Nc2cc(C(=O)[O-])n(C)c2)c(C)c1 ZINC001595780970 982556115 /nfs/dbraw/zinc/55/61/15/982556115.db2.gz SHUDEAFBWMSWOQ-UHFFFAOYSA-N -1 0 345.399 3.855 20 0 EHADRM CCCCS[C@H](C)C(=O)N1CCCc2ccc(C)c(C(=O)[O-])c21 ZINC001595786115 982574835 /nfs/dbraw/zinc/57/48/35/982574835.db2.gz OKJDMKHHWQUFRM-CYBMUJFWSA-N -1 0 335.469 3.894 20 0 EHADRM CC[C@@H](C)CC(=O)Nc1c(C)c(Br)ccc1C(=O)[O-] ZINC001594934995 982584891 /nfs/dbraw/zinc/58/48/91/982584891.db2.gz TZUFVCDMSZXFPY-MRVPVSSYSA-N -1 0 328.206 3.830 20 0 EHADRM CC[C@@H](CC1CCCCC1)C(=O)N[C@H](CC(=O)[O-])c1ccncc1 ZINC000911660021 982589842 /nfs/dbraw/zinc/58/98/42/982589842.db2.gz SLQBXWLMZOIDEH-DOTOQJQBSA-N -1 0 332.444 3.710 20 0 EHADRM CC(C)(CC(=O)N[C@@H](CC(=O)[O-])c1ccncc1)C1CCCCC1 ZINC000911662664 982592511 /nfs/dbraw/zinc/59/25/11/982592511.db2.gz JDOUJSWXHPEDLX-INIZCTEOSA-N -1 0 332.444 3.710 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000911664177 982593269 /nfs/dbraw/zinc/59/32/69/982593269.db2.gz KPFRLUNPQKKDQN-LZLYRXPVSA-N -1 0 345.414 3.769 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)/C=C/c1csc(C(F)(F)F)c1)C(=O)[O-] ZINC001594937913 982603610 /nfs/dbraw/zinc/60/36/10/982603610.db2.gz AUTPFQZEQXWSDO-JOEPOWSHSA-N -1 0 349.374 3.786 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000911716602 982610249 /nfs/dbraw/zinc/61/02/49/982610249.db2.gz BTYDTEGXSXFMNI-HLPPOEQASA-N -1 0 335.831 3.593 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)CCCc1ccc(SC)cc1)C(=O)[O-] ZINC001594939578 982611377 /nfs/dbraw/zinc/61/13/77/982611377.db2.gz USFQRIUVFCYEEO-CJNGLKHVSA-N -1 0 337.485 3.737 20 0 EHADRM CCCc1[nH]ccc1C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC000911733494 982617857 /nfs/dbraw/zinc/61/78/57/982617857.db2.gz AOAKASFNMMLMNF-UHFFFAOYSA-N -1 0 330.384 3.705 20 0 EHADRM CC(C)Oc1c(NC(=O)C2CCC(F)(F)CC2)cccc1C(=O)[O-] ZINC000911738389 982620693 /nfs/dbraw/zinc/62/06/93/982620693.db2.gz RKKVFCYVTXJGMB-UHFFFAOYSA-N -1 0 341.354 3.936 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)c1ccc(Oc2ccccc2)o1)C(=O)[O-] ZINC001594946146 982638908 /nfs/dbraw/zinc/63/89/08/982638908.db2.gz LKKRDPLJWYSKJC-GXTWGEPZSA-N -1 0 331.368 3.691 20 0 EHADRM O=C([O-])c1cc(NC(=O)C2(c3cccc(Cl)c3)CC2)ccc1F ZINC000914730516 982656611 /nfs/dbraw/zinc/65/66/11/982656611.db2.gz CYVISVMUJSXDFC-UHFFFAOYSA-N -1 0 333.746 3.848 20 0 EHADRM Cc1c(NC(=O)/C=C\c2ccc3ccccc3n2)cccc1C(=O)[O-] ZINC000914731554 982658389 /nfs/dbraw/zinc/65/83/89/982658389.db2.gz BCUJTLVXXAIEBD-QXMHVHEDSA-N -1 0 332.359 3.893 20 0 EHADRM CN(C)c1cccc(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)c1 ZINC000914778783 982659143 /nfs/dbraw/zinc/65/91/43/982659143.db2.gz HATWDSXUOORZHY-UHFFFAOYSA-N -1 0 340.404 3.918 20 0 EHADRM CC[C@@H](C)C[C@@H](Nc1nn2cc(-c3ccccc3)nc2s1)C(=O)[O-] ZINC001594953402 982679468 /nfs/dbraw/zinc/67/94/68/982679468.db2.gz RVICUKIFVFDUQF-DGCLKSJQSA-N -1 0 344.440 3.759 20 0 EHADRM CC[C@@H](C)C[C@@H](Nc1ccnc(Cc2ccc(F)cc2)n1)C(=O)[O-] ZINC001594954130 982684688 /nfs/dbraw/zinc/68/46/88/982684688.db2.gz ZJFIEHKOUYDXRH-IUODEOHRSA-N -1 0 331.391 3.508 20 0 EHADRM CC[C@H](C)CCC(=O)N[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC001594957803 982693271 /nfs/dbraw/zinc/69/32/71/982693271.db2.gz NIIYWGAQHJIJKF-HZMBPMFUSA-N -1 0 342.233 3.517 20 0 EHADRM CCCN(C(=O)c1ccc(Oc2ncccc2C)cc1)[C@@H](C)C(=O)[O-] ZINC001595826448 982710247 /nfs/dbraw/zinc/71/02/47/982710247.db2.gz GSWUEUJZRNRHCG-AWEZNQCLSA-N -1 0 342.395 3.508 20 0 EHADRM CCCN(C(=O)c1ccc(C(=O)[O-])o1)[C@H](C)c1ccccc1OC ZINC001595827601 982713791 /nfs/dbraw/zinc/71/37/91/982713791.db2.gz UNLXSISEZIRFIW-GFCCVEGCSA-N -1 0 331.368 3.600 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Nc2cc(C(=O)[O-])sc2C)cc1 ZINC000923090590 982716391 /nfs/dbraw/zinc/71/63/91/982716391.db2.gz HWUXBYARFSTJFK-SNVBAGLBSA-N -1 0 333.409 3.896 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)c2ccsc2C(F)F)c2ccccc21 ZINC000923101984 982725227 /nfs/dbraw/zinc/72/52/27/982725227.db2.gz INBXFDRNAXQWNA-VIFPVBQESA-N -1 0 337.347 3.904 20 0 EHADRM CC(C)[C@@H](CC(=O)NCCc1ccccc1C(=O)[O-])c1ccccc1 ZINC000923118806 982737878 /nfs/dbraw/zinc/73/78/78/982737878.db2.gz GWSHYDCDLUXHMK-LJQANCHMSA-N -1 0 339.435 3.873 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)CCC(=O)c1ccc(CC(C)C)cc1 ZINC001594971478 982740553 /nfs/dbraw/zinc/74/05/53/982740553.db2.gz INIZQHSWOKQIJP-HNNXBMFYSA-N -1 0 347.455 3.560 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)NCCc1ccccc1C(=O)[O-] ZINC000923122536 982742243 /nfs/dbraw/zinc/74/22/43/982742243.db2.gz PDRIITIVCJMXSB-KRWDZBQOSA-N -1 0 343.448 3.614 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc(C(C)(C)C)c(Cl)c1 ZINC001594977430 982756226 /nfs/dbraw/zinc/75/62/26/982756226.db2.gz MLXQSMGCQUBOQU-NSHDSACASA-N -1 0 325.836 3.963 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC001594977575 982757413 /nfs/dbraw/zinc/75/74/13/982757413.db2.gz WCQUSVNVIYTXKJ-CYBMUJFWSA-N -1 0 342.439 3.762 20 0 EHADRM Cc1nc(C2CCCCC2)sc1C(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC000923148976 982758739 /nfs/dbraw/zinc/75/87/39/982758739.db2.gz GDNBHVLFALGCKJ-ACJLOTCBSA-N -1 0 348.468 3.579 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])Cc1nc(-c2cccc(OC)c2)cs1 ZINC001594982050 982776824 /nfs/dbraw/zinc/77/68/24/982776824.db2.gz QQKITUDVOGAWCG-LBPRGKRZSA-N -1 0 334.441 3.504 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC001595853230 982781526 /nfs/dbraw/zinc/78/15/26/982781526.db2.gz USZFGKFBPXPLMP-UHFFFAOYSA-N -1 0 331.456 3.972 20 0 EHADRM CC[C@H](C)N(Cc1ccccc1)C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001594985519 982804164 /nfs/dbraw/zinc/80/41/64/982804164.db2.gz RYXGKGXQPNKHSU-ZDUSSCGKSA-N -1 0 329.371 3.965 20 0 EHADRM CCCN(CC)c1ccc(C(=O)Nc2sccc2C(=O)[O-])cc1 ZINC001595870698 982856187 /nfs/dbraw/zinc/85/61/87/982856187.db2.gz UWDCQHLRTTYJSO-UHFFFAOYSA-N -1 0 332.425 3.935 20 0 EHADRM CC[C@H](C)Oc1cccc(NCc2ccc(OCC(=O)[O-])cc2)c1 ZINC001595007433 982924763 /nfs/dbraw/zinc/92/47/63/982924763.db2.gz BLTIYGMXECMXAK-AWEZNQCLSA-N -1 0 329.396 3.939 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC001116479253 982930712 /nfs/dbraw/zinc/93/07/12/982930712.db2.gz PMCFBIFHENASKQ-DYESRHJHSA-N -1 0 335.403 3.926 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(C)cc(Cl)c2)cc1 ZINC001116786246 982935158 /nfs/dbraw/zinc/93/51/58/982935158.db2.gz QHAOIJKIZOHNGQ-MRXNPFEDSA-N -1 0 331.799 3.903 20 0 EHADRM CC[C@@H](C)c1ccc(C(=O)N(C)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC001595010610 982941896 /nfs/dbraw/zinc/94/18/96/982941896.db2.gz UZCLXVUHQRWKHJ-CQSZACIVSA-N -1 0 341.407 3.940 20 0 EHADRM CC[C@H](C)c1ccc(C(=O)NCc2ccccc2CC(=O)[O-])cc1 ZINC001595010811 982943569 /nfs/dbraw/zinc/94/35/69/982943569.db2.gz YPEQYNBDOROVAB-AWEZNQCLSA-N -1 0 325.408 3.757 20 0 EHADRM CCCN(Cc1ccccc1)C(=O)c1ccccc1CCC(=O)[O-] ZINC001595899077 982947299 /nfs/dbraw/zinc/94/72/99/982947299.db2.gz CBKRWCBMTZSEMH-UHFFFAOYSA-N -1 0 325.408 3.756 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C ZINC001595014255 982950921 /nfs/dbraw/zinc/95/09/21/982950921.db2.gz QCRXTMLNJYBAND-BBRMVZONSA-N -1 0 335.444 3.585 20 0 EHADRM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(C)C(C)(C)CC(=O)[O-] ZINC001118751540 982961600 /nfs/dbraw/zinc/96/16/00/982961600.db2.gz GXWBXTHXJUJQTC-LLVKDONJSA-N -1 0 345.361 3.596 20 0 EHADRM CN(C(=O)c1ccc(-c2ccc(F)cc2)s1)C(C)(C)CC(=O)[O-] ZINC001118807782 982962392 /nfs/dbraw/zinc/96/23/92/982962392.db2.gz LVKNRBDMIJWTSY-UHFFFAOYSA-N -1 0 335.400 3.880 20 0 EHADRM COc1c(C)cnc(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1C ZINC000064853173 1014905942 /nfs/dbraw/zinc/90/59/42/1014905942.db2.gz HSWLVYCVDJJBRE-CNHKJKLMSA-N -1 0 349.774 3.593 20 0 EHADRM CCCOc1ccc(N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1OC ZINC001595966641 983173241 /nfs/dbraw/zinc/17/32/41/983173241.db2.gz MZLKPNMNCOWQIU-KRWDZBQOSA-N -1 0 333.359 3.861 20 0 EHADRM CCCOc1cccc(C(=O)NCCCCC2(C(=O)[O-])CCC2)c1 ZINC001595967218 983177805 /nfs/dbraw/zinc/17/78/05/983177805.db2.gz FNYQCCLIIKKREQ-UHFFFAOYSA-N -1 0 333.428 3.630 20 0 EHADRM CCCOc1cccc(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)c1 ZINC001595967433 983181156 /nfs/dbraw/zinc/18/11/56/983181156.db2.gz VYAOUHICZRUELD-UHFFFAOYSA-N -1 0 338.363 3.907 20 0 EHADRM CCCSc1cccc(NC(=O)NCc2cc(C(=O)[O-])c(C)o2)n1 ZINC001595987743 983240615 /nfs/dbraw/zinc/24/06/15/983240615.db2.gz PJAVLDZSQAIGHG-UHFFFAOYSA-N -1 0 349.412 3.505 20 0 EHADRM CCC[C@@H](NC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)[O-] ZINC001595997050 983252134 /nfs/dbraw/zinc/25/21/34/983252134.db2.gz BYRWWTKIQZMANI-OAHLLOKOSA-N -1 0 349.471 3.970 20 0 EHADRM CCCc1c(C(=O)N2CC[C@@H](CC(C)(C)C)C2)[nH]c(C)c1C(=O)[O-] ZINC001596030208 983297937 /nfs/dbraw/zinc/29/79/37/983297937.db2.gz HGPXEJQGCYITPS-ZDUSSCGKSA-N -1 0 334.460 3.872 20 0 EHADRM CCCc1c(C(=O)N2CC([C@H]3CCC[C@@H](C)C3)C2)[nH]c(C)c1C(=O)[O-] ZINC001596031398 983303505 /nfs/dbraw/zinc/30/35/05/983303505.db2.gz YCVAIECQJZQGHO-OCCSQVGLSA-N -1 0 346.471 3.872 20 0 EHADRM CCCc1c(C(=O)N[C@H](CC)Cc2ccccc2)[nH]c(C)c1C(=O)[O-] ZINC001596036973 983316473 /nfs/dbraw/zinc/31/64/73/983316473.db2.gz WTJPPRZIBXXBJO-OAHLLOKOSA-N -1 0 342.439 3.725 20 0 EHADRM CCCc1c(C(=O)Oc2ccc(C(=O)[O-])cc2)cnn1C1CCCC1 ZINC001596048177 983343945 /nfs/dbraw/zinc/34/39/45/983343945.db2.gz FCGOUWSKYUEUKS-UHFFFAOYSA-N -1 0 342.395 3.868 20 0 EHADRM CCCc1c(NCc2ccc(C(=O)[O-])[nH]2)cnn1-c1ccccc1C ZINC001596050508 983349197 /nfs/dbraw/zinc/34/91/97/983349197.db2.gz JPVLCEQQUQVZFS-UHFFFAOYSA-N -1 0 338.411 3.772 20 0 EHADRM CCCc1ncc(CNCc2ccc(-c3ccccc3C(=O)[O-])o2)o1 ZINC001596088960 983410071 /nfs/dbraw/zinc/41/00/71/983410071.db2.gz QYZGCJCPQHQVCF-UHFFFAOYSA-N -1 0 340.379 3.875 20 0 EHADRM CCCn1ncc(Nc2nc(Cl)c(C(=O)[O-])s2)c1C1CC1 ZINC001596120674 983455345 /nfs/dbraw/zinc/45/53/45/983455345.db2.gz UVUDRDJFHUECOE-UHFFFAOYSA-N -1 0 326.809 3.722 20 0 EHADRM CCCn1ncc(NC(=O)Nc2cc(C)cc(C(=O)[O-])c2)c1C1CC1 ZINC001596120679 983455370 /nfs/dbraw/zinc/45/53/70/983455370.db2.gz UWBFZNCOXWOFMV-UHFFFAOYSA-N -1 0 342.399 3.821 20 0 EHADRM CCN(C(=O)C(F)(F)c1cccc(OC)c1)c1ccccc1C(=O)[O-] ZINC001596131131 983477765 /nfs/dbraw/zinc/47/77/65/983477765.db2.gz HSMILNJCHFTTCU-UHFFFAOYSA-N -1 0 349.333 3.538 20 0 EHADRM CCN(C(=O)CC/C=C/c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001596133029 983481005 /nfs/dbraw/zinc/48/10/05/983481005.db2.gz APTYXNGSOHRYGF-UXBLZVDNSA-N -1 0 330.409 3.688 20 0 EHADRM CCN(C(=O)/C=C/c1cc(C(=O)[O-])co1)c1ccc(Cl)c(F)c1 ZINC001596137578 983486985 /nfs/dbraw/zinc/48/69/85/983486985.db2.gz MOJUOLWKUWKSTK-GQCTYLIASA-N -1 0 337.734 3.837 20 0 EHADRM CCN(C(=O)CCc1ocnc1C(=O)[O-])c1cccc2ccccc21 ZINC001596139681 983490717 /nfs/dbraw/zinc/49/07/17/983490717.db2.gz BXSLYBSAOKHKFT-UHFFFAOYSA-N -1 0 338.363 3.512 20 0 EHADRM CCN(C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1)C(C)(C)C(=O)[O-] ZINC001596155656 983513834 /nfs/dbraw/zinc/51/38/34/983513834.db2.gz IXILQMGOROKASY-ZDUSSCGKSA-N -1 0 343.423 3.664 20 0 EHADRM CCN(CC(=O)Nc1cc(C(=O)[O-])ccc1C)c1ccc(Cl)cc1 ZINC001596208329 983597579 /nfs/dbraw/zinc/59/75/79/983597579.db2.gz QDRDUMFXQKQWDH-UHFFFAOYSA-N -1 0 346.814 3.812 20 0 EHADRM CCN(CC)[C@@H](C(=O)O[C@H](C)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC001596254013 983660165 /nfs/dbraw/zinc/66/01/65/983660165.db2.gz WUOUUASXGZWWMA-CXAGYDPISA-N -1 0 345.395 3.665 20 0 EHADRM CCN(CCc1ccccn1)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001596351836 983810112 /nfs/dbraw/zinc/81/01/12/983810112.db2.gz HSSWRIBIYOCTNR-UHFFFAOYSA-N -1 0 347.802 3.530 20 0 EHADRM CCN(Cc1ccc2ccccc2c1)C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001596364567 983849454 /nfs/dbraw/zinc/84/94/54/983849454.db2.gz NNQQGUNGIOAAGD-UHFFFAOYSA-N -1 0 349.390 3.987 20 0 EHADRM CCN(Cc1ccccc1F)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001596371957 983875832 /nfs/dbraw/zinc/87/58/32/983875832.db2.gz WWJNEEMJTKFQPA-UHFFFAOYSA-N -1 0 344.386 3.897 20 0 EHADRM CCN(Cc1nc2cc(C(=O)[O-])ccc2[nH]1)[C@@H](C)c1ccc(F)cc1 ZINC001596377528 983887120 /nfs/dbraw/zinc/88/71/20/983887120.db2.gz CVZQHMSJZIJEEV-LBPRGKRZSA-N -1 0 341.386 3.983 20 0 EHADRM CCN(Cc1ccoc1)C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001596378547 983896666 /nfs/dbraw/zinc/89/66/66/983896666.db2.gz RCPOJOICCLKANN-UHFFFAOYSA-N -1 0 346.383 3.819 20 0 EHADRM CCN(Cc1ccoc1)C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001596378808 983899693 /nfs/dbraw/zinc/89/96/93/983899693.db2.gz XZBXCHYANDDCPU-UHFFFAOYSA-N -1 0 348.424 3.900 20 0 EHADRM CCNc1nc(S[C@H](C(=O)[O-])c2ccccc2)nc2ccccc21 ZINC001596505241 984262602 /nfs/dbraw/zinc/26/26/02/984262602.db2.gz PAEGAUKZGTVSBA-HNNXBMFYSA-N -1 0 339.420 3.980 20 0 EHADRM CCOC(=O)[C@H](CC)SCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001596528714 984351089 /nfs/dbraw/zinc/35/10/89/984351089.db2.gz XESLBBQTQVDTEI-AWEZNQCLSA-N -1 0 349.408 3.615 20 0 EHADRM C/C(=C\C(=O)N(CC(=O)[O-])CC(C)C)c1ccccc1C(F)(F)F ZINC001588933481 984612738 /nfs/dbraw/zinc/61/27/38/984612738.db2.gz UJYRBFMVGZYWGM-XYOKQWHBSA-N -1 0 343.345 3.678 20 0 EHADRM C/C(=C/C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-])c1ccc(F)cc1 ZINC001588939644 984630756 /nfs/dbraw/zinc/63/07/56/984630756.db2.gz ZKIDAFUFAHVFHK-IVOILVROSA-N -1 0 333.403 3.626 20 0 EHADRM C/C(=C/C(=O)Nc1nc(CCCC(=O)[O-])cs1)c1cccs1 ZINC001588944854 984649839 /nfs/dbraw/zinc/64/98/39/984649839.db2.gz GCNOZSCKLKLTFH-NTMALXAHSA-N -1 0 336.438 3.654 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)N(CCc1ccccc1)CC(=O)[O-] ZINC001599890034 984682983 /nfs/dbraw/zinc/68/29/83/984682983.db2.gz IVWFTZDSQYHMMW-MRXNPFEDSA-N -1 0 331.456 3.749 20 0 EHADRM C[C@H](CC(F)(F)F)C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001599890517 984688399 /nfs/dbraw/zinc/68/83/99/984688399.db2.gz YICOAHGNBNOENW-SECBINFHSA-N -1 0 335.347 3.780 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)N1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001599891897 984704200 /nfs/dbraw/zinc/70/42/00/984704200.db2.gz WTPSYJZLFYXUTM-CQSZACIVSA-N -1 0 345.439 3.712 20 0 EHADRM C[C@H](NC(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccc(F)c(F)c1 ZINC001599895258 984744549 /nfs/dbraw/zinc/74/45/49/984744549.db2.gz YXVLVWHKAGVPHK-NSHDSACASA-N -1 0 348.349 3.865 20 0 EHADRM C[C@H](NC(=O)c1ccc(/C=C/C(=O)[O-])o1)c1ccc(Cl)s1 ZINC001599900696 984818310 /nfs/dbraw/zinc/81/83/10/984818310.db2.gz PQZVLCHBMOPYKU-DKCNVOGISA-N -1 0 325.773 3.583 20 0 EHADRM C[C@H](OC(=O)CCCOc1cccc(F)c1)c1ccc(C(=O)[O-])cc1 ZINC001599903982 984898121 /nfs/dbraw/zinc/89/81/21/984898121.db2.gz VTBSLAUXMZQDOD-ZDUSSCGKSA-N -1 0 346.354 3.987 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC001588995802 984928207 /nfs/dbraw/zinc/92/82/07/984928207.db2.gz SBFYIJILDBFGJK-VGYLDRISSA-N -1 0 327.424 3.643 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001588995845 984929281 /nfs/dbraw/zinc/92/92/81/984929281.db2.gz UEACQWGYSYWJLM-PTNGSMBKSA-N -1 0 335.403 3.681 20 0 EHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)NCCc1ccccc1C(=O)[O-] ZINC001588998910 984935816 /nfs/dbraw/zinc/93/58/16/984935816.db2.gz MUNJCXIYOWPSGH-SEYXRHQNSA-N -1 0 343.810 3.800 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC001588999037 984936830 /nfs/dbraw/zinc/93/68/30/984936830.db2.gz QVCODFJXDJDQRY-XLNAKTSKSA-N -1 0 345.345 3.619 20 0 EHADRM C[C@H]1CC[C@H](C(=O)N[C@@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])CC1 ZINC001599908791 984957560 /nfs/dbraw/zinc/95/75/60/984957560.db2.gz KWNVKKMGPGVCKW-MYZZLAAOSA-N -1 0 343.467 3.892 20 0 EHADRM C/C(=C/c1ccccn1)C(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-] ZINC001589006858 984971822 /nfs/dbraw/zinc/97/18/22/984971822.db2.gz XATXJZDXOGOQFJ-TWGQIWQCSA-N -1 0 334.734 3.614 20 0 EHADRM C/C(=C\c1ccco1)C(=O)N[C@]1(C(=O)[O-])CC[C@H](C)c2ccccc21 ZINC001589010864 984984194 /nfs/dbraw/zinc/98/41/94/984984194.db2.gz RDJYHIZVZVLGKX-RNQNORQMSA-N -1 0 339.391 3.677 20 0 EHADRM CCOC(=O)c1cccc(N(CC)Cc2ccsc2C(=O)[O-])c1 ZINC001596728081 984985630 /nfs/dbraw/zinc/98/56/30/984985630.db2.gz BNYPKFTUPXQHSU-UHFFFAOYSA-N -1 0 333.409 3.650 20 0 EHADRM CCOC(=O)c1ccc(SCC2(C(=O)[O-])CCCC2)c(F)c1 ZINC001596729742 984991951 /nfs/dbraw/zinc/99/19/51/984991951.db2.gz VGITXNYTGNLYSI-UHFFFAOYSA-N -1 0 326.389 3.740 20 0 EHADRM CC(=O)[C@@H](C)CCCCC(=O)Nc1nc(C(C)C)c(C(=O)[O-])s1 ZINC001589022900 985019468 /nfs/dbraw/zinc/01/94/68/985019468.db2.gz HFEXHDSTRMUFBJ-JTQLQIEISA-N -1 0 340.445 3.689 20 0 EHADRM CC(=O)CC(C)(C)CC(=O)Nc1c2ccc(C)nc2sc1C(=O)[O-] ZINC001589029746 985053955 /nfs/dbraw/zinc/05/39/55/985053955.db2.gz KKRQPEBGFJZUSA-UHFFFAOYSA-N -1 0 348.424 3.637 20 0 EHADRM CC(=O)CC(C)(C)CC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001589029821 985055259 /nfs/dbraw/zinc/05/52/59/985055259.db2.gz MSGWHUKNTBCQHY-UHFFFAOYSA-N -1 0 329.755 3.511 20 0 EHADRM CCO[C@@H](C(=O)N(c1ccccc1C(=O)[O-])C1CCC1)C1CCCC1 ZINC001596760393 985138610 /nfs/dbraw/zinc/13/86/10/985138610.db2.gz FBBOJOFNQFVRSI-GOSISDBHSA-N -1 0 345.439 3.866 20 0 EHADRM CCO[C@@H](C(=O)Nc1sc(CC)cc1C(=O)[O-])C1CCCC1 ZINC001596765692 985165021 /nfs/dbraw/zinc/16/50/21/985165021.db2.gz DGQMJWJNBCKZAB-CYBMUJFWSA-N -1 0 325.430 3.543 20 0 EHADRM CCO[C@H](C(=O)OCc1cccc(C(=O)[O-])c1Cl)c1ccccc1 ZINC001596766920 985175704 /nfs/dbraw/zinc/17/57/04/985175704.db2.gz SIFUCPMUHYYTRE-INIZCTEOSA-N -1 0 348.782 3.859 20 0 EHADRM CCO[C@@H](C)c1nc(CN[C@H](C(=O)[O-])c2cc(C)cc(C)c2)cs1 ZINC001596776820 985217573 /nfs/dbraw/zinc/21/75/73/985217573.db2.gz PEDIQEONPCFMFF-BBRMVZONSA-N -1 0 348.468 3.773 20 0 EHADRM CCO[C@H](CNC(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccccc1 ZINC001596792243 985282847 /nfs/dbraw/zinc/28/28/47/985282847.db2.gz VGJBZJDUBJXCGD-MRXNPFEDSA-N -1 0 347.798 3.546 20 0 EHADRM CC(=O)N1Cc2ccc(N[C@H](C)c3ccc(C(=O)[O-])cc3C)cc2C1 ZINC001589096551 985291782 /nfs/dbraw/zinc/29/17/82/985291782.db2.gz AJLRDGWRWVSGIW-CYBMUJFWSA-N -1 0 338.407 3.728 20 0 EHADRM C[C@H]1Cc2ccccc2N(C(=O)c2coc3ccccc23)[C@H]1C(=O)[O-] ZINC001599936565 985403017 /nfs/dbraw/zinc/40/30/17/985403017.db2.gz VTVISZWWZFXLRV-KPZWWZAWSA-N -1 0 335.359 3.725 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cc(C(=O)[O-])cs2)CCc2ccccc21 ZINC001594476835 985495354 /nfs/dbraw/zinc/49/53/54/985495354.db2.gz BQZLYHPFRUYVKA-NSHDSACASA-N -1 0 330.409 3.640 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)C[C@H](C)S1 ZINC001594477071 985497361 /nfs/dbraw/zinc/49/73/61/985497361.db2.gz DOHWTOLYWFLKPD-YUMQZZPRSA-N -1 0 346.811 3.535 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CCC1(F)F ZINC001594479562 985517817 /nfs/dbraw/zinc/51/78/17/985517817.db2.gz XSMRVYCPNQWTHR-QMMMGPOBSA-N -1 0 332.734 3.547 20 0 EHADRM Cc1[nH]c(C(=O)CS[C@H]2CCOc3ccccc32)c(C)c1C(=O)[O-] ZINC001599949752 985587513 /nfs/dbraw/zinc/58/75/13/985587513.db2.gz SGQXRMXFPDKUPZ-HNNXBMFYSA-N -1 0 345.420 3.769 20 0 EHADRM CC(=O)Nc1ccc(C)c(NCc2cc(C(=O)[O-])ccc2Cl)c1 ZINC001589190016 985590041 /nfs/dbraw/zinc/59/00/41/985590041.db2.gz TYWRIAKRMJRSBE-UHFFFAOYSA-N -1 0 332.787 3.917 20 0 EHADRM Cc1[nH]c(C(=O)Nc2cc(C(C)(C)C)ccc2O)c(C)c1C(=O)[O-] ZINC001599953014 985641958 /nfs/dbraw/zinc/64/19/58/985641958.db2.gz FMLAAQBANZPDJH-UHFFFAOYSA-N -1 0 330.384 3.585 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1CCCC2(C1)CCCCCC2 ZINC001599954331 985661919 /nfs/dbraw/zinc/66/19/19/985661919.db2.gz IYJKFERPDMBISC-UHFFFAOYSA-N -1 0 332.444 3.906 20 0 EHADRM Cc1[nH]c(CNc2cccc(-c3noc(C4CC4)n3)c2)cc1C(=O)[O-] ZINC001599964160 985862388 /nfs/dbraw/zinc/86/23/88/985862388.db2.gz YIVPJASCKLKRNN-UHFFFAOYSA-N -1 0 338.367 3.561 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)[C@@H]1[C@H](C)[C@H]1c1ccccc1 ZINC001589264195 985932778 /nfs/dbraw/zinc/93/27/78/985932778.db2.gz FBELNTAYIKPZAX-CNOZUTPLSA-N -1 0 338.359 3.543 20 0 EHADRM CC(=O)c1ccc(C(F)(F)F)nc1NCC1(CC(=O)[O-])CCCC1 ZINC001589278320 985997542 /nfs/dbraw/zinc/99/75/42/985997542.db2.gz AEKJJXOCLXLKGK-UHFFFAOYSA-N -1 0 344.333 3.750 20 0 EHADRM CC(=O)c1ccc(C(=O)O[C@@H]2CCCc3cc(C(=O)[O-])ccc32)s1 ZINC001589279864 986005582 /nfs/dbraw/zinc/00/55/82/986005582.db2.gz ZJXYWVQHAJPYDN-CQSZACIVSA-N -1 0 344.388 3.883 20 0 EHADRM CCOCCOCc1cccc(NCc2ccc(C(=O)[O-])cc2F)c1 ZINC001596938136 986059733 /nfs/dbraw/zinc/05/97/33/986059733.db2.gz SOTUNJWJJNMRLJ-UHFFFAOYSA-N -1 0 347.386 3.689 20 0 EHADRM Cc1c(Br)cncc1N[C@@H](C)CC(C)(C)CC(=O)[O-] ZINC001599974719 986071128 /nfs/dbraw/zinc/07/11/28/986071128.db2.gz YBEGOQHXKAFDDN-VIFPVBQESA-N -1 0 329.238 3.844 20 0 EHADRM Cc1c(C(=O)N(C)c2ccccc2C(=O)[O-])ccn1Cc1ccccc1 ZINC001599975787 986088682 /nfs/dbraw/zinc/08/86/82/986088682.db2.gz SKTAVQYFDPZMJB-UHFFFAOYSA-N -1 0 348.402 3.820 20 0 EHADRM CC(=O)c1ccccc1OCCSCc1cccc(C(=O)[O-])c1 ZINC001589316653 986113397 /nfs/dbraw/zinc/11/33/97/986113397.db2.gz WNAYSMLMYKRFMK-UHFFFAOYSA-N -1 0 330.405 3.900 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)NCc1ccccc1C(=O)[O-] ZINC001599981179 986165577 /nfs/dbraw/zinc/16/55/77/986165577.db2.gz BAIMIIDCPMDHFC-UHFFFAOYSA-N -1 0 327.311 3.509 20 0 EHADRM C[C@H]1CN(Cc2ccc(C3(C(=O)[O-])CC3)cc2)c2cccc(F)c2O1 ZINC001594538969 986170036 /nfs/dbraw/zinc/17/00/36/986170036.db2.gz PWESJDRNFSRQKX-ZDUSSCGKSA-N -1 0 341.382 3.729 20 0 EHADRM CCOc1c(Cl)cccc1NC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001596992451 986276943 /nfs/dbraw/zinc/27/69/43/986276943.db2.gz HONSJWPJWVCGFO-UHFFFAOYSA-N -1 0 337.803 3.712 20 0 EHADRM CCOc1c(Cl)cccc1NC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001596992845 986279339 /nfs/dbraw/zinc/27/93/39/986279339.db2.gz QRGASDVUBFBXPS-SREVYHEPSA-N -1 0 335.743 3.682 20 0 EHADRM CCOc1cc(Br)c(F)cc1N[C@H]1CC[C@H](C(=O)[O-])C1 ZINC001596993438 986283792 /nfs/dbraw/zinc/28/37/92/986283792.db2.gz BATRCGWLXGTFGO-IUCAKERBSA-N -1 0 346.196 3.652 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CCC2(C1)CCCCC2 ZINC001597016005 986374241 /nfs/dbraw/zinc/37/42/41/986374241.db2.gz XBQCQFCYINKUQX-UHFFFAOYSA-N -1 0 346.427 3.972 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC001597022278 986420163 /nfs/dbraw/zinc/42/01/63/986420163.db2.gz QOQCBABINGXRAE-GZBFAFLISA-N -1 0 346.427 3.874 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1cc(Cl)ccc1OC ZINC001597023006 986426730 /nfs/dbraw/zinc/42/67/30/986426730.db2.gz UQPYLNQMQORQSL-UHFFFAOYSA-N -1 0 349.770 3.698 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1cccc(Cl)c1C ZINC001597024594 986429028 /nfs/dbraw/zinc/42/90/28/986429028.db2.gz ARPPWXLXKNVFQL-UHFFFAOYSA-N -1 0 333.771 3.998 20 0 EHADRM C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccsc1)c1ccc(Cl)s1 ZINC001589378131 986439741 /nfs/dbraw/zinc/43/97/41/986439741.db2.gz CBLXVUWGACMMFJ-RDDDGLTNSA-N -1 0 329.830 3.509 20 0 EHADRM C[C@@H](C(=O)N[C@H](CC1CCCCC1)C(=O)[O-])c1cccc(Cl)c1 ZINC001589385201 986473593 /nfs/dbraw/zinc/47/35/93/986473593.db2.gz CPLDNRXLPIHHLP-MLGOLLRUSA-N -1 0 337.847 3.983 20 0 EHADRM C[C@@H](C(=O)NCC1(CC(=O)[O-])CCCC1)c1cc2ccccc2o1 ZINC001589405868 986589736 /nfs/dbraw/zinc/58/97/36/986589736.db2.gz BAPGTACUOIMHNF-CYBMUJFWSA-N -1 0 329.396 3.688 20 0 EHADRM C[C@H](C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21)C1CCCC1 ZINC001589407582 986599032 /nfs/dbraw/zinc/59/90/32/986599032.db2.gz VMBMTMNYEUAZGW-GUYCJALGSA-N -1 0 329.440 3.747 20 0 EHADRM C[C@H]1Cc2ccccc2N1C(=O)CSCc1cccc(C(=O)[O-])c1 ZINC001594622380 986666277 /nfs/dbraw/zinc/66/62/77/986666277.db2.gz DCOROEGZEWRJQX-ZDUSSCGKSA-N -1 0 341.432 3.596 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(Br)cc1Cl ZINC000263530349 1125496911 /nfs/dbraw/zinc/49/69/11/1125496911.db2.gz WDFZDLBVCSOUPP-GXSJLCMTSA-N -1 0 346.652 3.788 20 0 EHADRM C[C@H](C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)c1ccc(Cl)cc1 ZINC001589438311 986763230 /nfs/dbraw/zinc/76/32/30/986763230.db2.gz KNRTWAYTHCREOO-VIFPVBQESA-N -1 0 343.770 3.657 20 0 EHADRM CCOc1ccc(OC(C)(C)C(=O)Oc2cccc(C(=O)[O-])c2)cc1 ZINC001597130563 986849525 /nfs/dbraw/zinc/84/95/25/986849525.db2.gz UDQQVHODNIEZIA-UHFFFAOYSA-N -1 0 344.363 3.547 20 0 EHADRM CCOc1ccc([C@@H]2C[C@H]2Nc2ncc(C(=O)[O-])cc2Cl)cc1 ZINC001597140028 986883566 /nfs/dbraw/zinc/88/35/66/986883566.db2.gz OMTXRLXCTHCUHQ-DZGCQCFKSA-N -1 0 332.787 3.800 20 0 EHADRM CCOc1ccc2ccccc2c1C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001597144135 986903247 /nfs/dbraw/zinc/90/32/47/986903247.db2.gz POWTVCIRHQCKSN-UHFFFAOYSA-N -1 0 338.363 3.528 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Nc1cccc(C2CC2)n1)c1ccccc1 ZINC001589458722 986904342 /nfs/dbraw/zinc/90/43/42/986904342.db2.gz QRCKOCDOMKGOQJ-PXAZEXFGSA-N -1 0 339.395 3.543 20 0 EHADRM CCOc1cccc(CNC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c1 ZINC001597155583 986950636 /nfs/dbraw/zinc/95/06/36/986950636.db2.gz PPRNYZIZKHFBKK-UHFFFAOYSA-N -1 0 342.395 3.722 20 0 EHADRM C[C@H]1c2ccc(F)cc2CCN1C(=O)c1ccccc1CCC(=O)[O-] ZINC001594669058 986977964 /nfs/dbraw/zinc/97/79/64/986977964.db2.gz ZJBOHJPQZXBDLA-ZDUSSCGKSA-N -1 0 341.382 3.602 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)c1ccc(-c2ccccc2F)o1)C1CCC1 ZINC001589478360 986994560 /nfs/dbraw/zinc/99/45/60/986994560.db2.gz XTVRLZALZBUYBB-NSHDSACASA-N -1 0 331.343 3.554 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)c1sccc1SC(F)F)C1CCC1 ZINC001589479134 987007102 /nfs/dbraw/zinc/00/71/02/987007102.db2.gz QHDCRNAAYVGGKA-ZETCQYMHSA-N -1 0 335.397 3.531 20 0 EHADRM C/C=C(/C=C/C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1)CC ZINC001594676989 987010855 /nfs/dbraw/zinc/01/08/55/987010855.db2.gz HFOSVQRRMPLRRU-WJNZLDCXSA-N -1 0 347.842 3.879 20 0 EHADRM CCOc1ccccc1C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC001597173235 987015271 /nfs/dbraw/zinc/01/52/71/987015271.db2.gz RKBZQASTYIYJTN-UHFFFAOYSA-N -1 0 348.424 3.790 20 0 EHADRM CCOc1ccccc1CCC(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC001597173889 987022431 /nfs/dbraw/zinc/02/24/31/987022431.db2.gz VKDNGXUBLZEPAV-LBPRGKRZSA-N -1 0 332.352 3.614 20 0 EHADRM C/C=C/COc1cccc(CC(=O)Nc2ccc(F)cc2C(=O)[O-])c1 ZINC001594688909 987071698 /nfs/dbraw/zinc/07/16/98/987071698.db2.gz IQBGRXRGIJUFEK-NSCUHMNNSA-N -1 0 343.354 3.660 20 0 EHADRM CC/C(=C/C(=O)N[C@H](C(=O)[O-])c1ccccc1F)c1ccc(C)cc1 ZINC001594690662 987081898 /nfs/dbraw/zinc/08/18/98/987081898.db2.gz GWIAJDKVUICIRA-IFMUVIIVSA-N -1 0 341.382 3.870 20 0 EHADRM CCC(=CC(=O)N[C@@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-])CC ZINC001594690717 987082651 /nfs/dbraw/zinc/08/26/51/987082651.db2.gz IUCPVCRWMCIQNY-WMZOPIPTSA-N -1 0 329.440 3.812 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@H]2CC[C@H](C(F)(F)F)C2)cc1 ZINC001589501903 987101901 /nfs/dbraw/zinc/10/19/01/987101901.db2.gz ANHNWCMWYXBTAU-DLOVCJGASA-N -1 0 329.318 3.792 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)C2C[C@H]3CCCC[C@@H](C2)C3=O)cc1 ZINC001589501940 987102020 /nfs/dbraw/zinc/10/20/20/987102020.db2.gz BAPVCFXUYDKZNB-NTQSIJHJSA-N -1 0 343.423 3.599 20 0 EHADRM CCC(=O)N(C)c1ccc(NCc2[nH]cc(C(=O)[O-])c2C2CC2)cc1 ZINC001594695385 987115229 /nfs/dbraw/zinc/11/52/29/987115229.db2.gz JQWMNHFGXPWMND-UHFFFAOYSA-N -1 0 341.411 3.575 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2CCC[C@@]3(CCSC3)C2)cc1 ZINC001589508251 987128200 /nfs/dbraw/zinc/12/82/00/987128200.db2.gz IXDROXJGROIUFA-SCLBCKFNSA-N -1 0 348.468 3.626 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NC(C)(C)CC(F)(F)F)cc1 ZINC001589509408 987132815 /nfs/dbraw/zinc/13/28/15/987132815.db2.gz PUQSFDPRDOFUFB-SECBINFHSA-N -1 0 332.322 3.727 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2CC=C(c3ccccc3)C2)cc1 ZINC001589510839 987137137 /nfs/dbraw/zinc/13/71/37/987137137.db2.gz WTGWGHQXGMNXDF-AWEZNQCLSA-N -1 0 336.391 3.806 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NCC(C)(C)C(F)(F)F)cc1 ZINC001589513481 987158828 /nfs/dbraw/zinc/15/88/28/987158828.db2.gz UPTMXYRZSXRXCJ-VIFPVBQESA-N -1 0 332.322 3.585 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cccc3cccc(O)c32)cc1 ZINC001589521513 987167114 /nfs/dbraw/zinc/16/71/14/987167114.db2.gz QOFDYKWGHSYVCG-GFCCVEGCSA-N -1 0 335.359 3.986 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cc(Cl)cc(Cl)n2)cc1 ZINC001589521675 987168988 /nfs/dbraw/zinc/16/89/88/987168988.db2.gz RVGXUJULLUZZAM-QMMMGPOBSA-N -1 0 339.178 3.829 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cc(Cl)cc(F)c2N)cc1 ZINC001589522071 987173400 /nfs/dbraw/zinc/17/34/00/987173400.db2.gz ZEQYUBNXQNCLCE-QMMMGPOBSA-N -1 0 336.750 3.502 20 0 EHADRM CCC(=O)c1ccc(C(=O)Nc2cc(F)cc(C(=O)[O-])c2F)cc1 ZINC001594717519 987195321 /nfs/dbraw/zinc/19/53/21/987195321.db2.gz ZGFVHWORFORSAE-UHFFFAOYSA-N -1 0 333.290 3.508 20 0 EHADRM CCC(=O)c1cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)ccc1F ZINC001594718336 987198274 /nfs/dbraw/zinc/19/82/74/987198274.db2.gz RQEJXCDGVHOSOD-MRXNPFEDSA-N -1 0 348.301 3.540 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2ncc(C(F)(F)F)s2)c1 ZINC001589531405 987202861 /nfs/dbraw/zinc/20/28/61/987202861.db2.gz DZWFXQXDNQFZIZ-SSDOTTSWSA-N -1 0 344.314 3.602 20 0 EHADRM CCC(=O)c1cccc(NC(=O)NC[C@H](C(=O)[O-])C2CCCCC2)c1 ZINC001594722300 987211175 /nfs/dbraw/zinc/21/11/75/987211175.db2.gz NTPUPBWFVSYQHW-INIZCTEOSA-N -1 0 346.427 3.682 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)Cc2ccc3cnccc3c2)c1 ZINC001589532517 987215772 /nfs/dbraw/zinc/21/57/72/987215772.db2.gz FHRVQDNWZPGNGV-CYBMUJFWSA-N -1 0 334.375 3.604 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2csc(C(F)(F)F)n2)c1 ZINC001589532680 987217548 /nfs/dbraw/zinc/21/75/48/987217548.db2.gz UCLICWFPSDOSEV-ZETCQYMHSA-N -1 0 344.314 3.602 20 0 EHADRM CC[C@@H](C(=O)N1CCc2ccc(C(=O)[O-])nc2C1)C1CCC(C)CC1 ZINC001594728503 987235027 /nfs/dbraw/zinc/23/50/27/987235027.db2.gz FXFMXRJPZDQHHM-ZBCRRDGASA-N -1 0 344.455 3.517 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001594728693 987236376 /nfs/dbraw/zinc/23/63/76/987236376.db2.gz IYUPLXFJFYIASF-BPNCWPANSA-N -1 0 345.361 3.815 20 0 EHADRM CC[C@H](C(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1)c1ccccc1 ZINC001594729029 987238489 /nfs/dbraw/zinc/23/84/89/987238489.db2.gz MJBAMSXDGMTWJJ-ROUUACIJSA-N -1 0 325.408 3.739 20 0 EHADRM CCS[C@H]1CCC[C@@H](NC(=O)Nc2ccc(C(=O)[O-])s2)C1 ZINC001597256285 987257854 /nfs/dbraw/zinc/25/78/54/987257854.db2.gz JRIXTGLHAIIIDL-ZJUUUORDSA-N -1 0 328.459 3.632 20 0 EHADRM CC[C@H](C(=O)Nc1cc(C)cc(C(=O)[O-])c1)c1ccc(OC)cc1 ZINC001594735380 987268526 /nfs/dbraw/zinc/26/85/26/987268526.db2.gz MKOAQHPHYZKDCP-KRWDZBQOSA-N -1 0 327.380 3.834 20 0 EHADRM CCSc1cccc(C(=O)N2CCOc3c(C(=O)[O-])cccc32)c1 ZINC001597272971 987325318 /nfs/dbraw/zinc/32/53/18/987325318.db2.gz MIJCNAXZUDVFFB-UHFFFAOYSA-N -1 0 343.404 3.536 20 0 EHADRM CCSc1cccc(CN2C[C@H](C(=O)[O-])Oc3cc(F)ccc32)c1 ZINC001597273372 987328293 /nfs/dbraw/zinc/32/82/93/987328293.db2.gz SRQQTQCSHHKCTC-QGZVFWFLSA-N -1 0 347.411 3.790 20 0 EHADRM CCSc1cccc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC001597273348 987328335 /nfs/dbraw/zinc/32/83/35/987328335.db2.gz RMJRXKYCKVFHAS-DYVFJYSZSA-N -1 0 343.448 3.990 20 0 EHADRM CCSc1ccc(CC(=O)N(CC2CC2)[C@@](C)(CC)C(=O)[O-])cc1 ZINC001597273478 987329870 /nfs/dbraw/zinc/32/98/70/987329870.db2.gz XAUMNCPRJMIATL-IBGZPJMESA-N -1 0 349.496 3.833 20 0 EHADRM CCSc1cccc(F)c1NC(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001597277256 987334111 /nfs/dbraw/zinc/33/41/11/987334111.db2.gz KXXRXOPAQASHSI-INIZCTEOSA-N -1 0 340.420 3.656 20 0 EHADRM CCSc1cccnc1C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001597279835 987345444 /nfs/dbraw/zinc/34/54/44/987345444.db2.gz MOFYYAMKJZGHCQ-UHFFFAOYSA-N -1 0 341.392 3.625 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccc(C)c(F)c1 ZINC001597288689 987372659 /nfs/dbraw/zinc/37/26/59/987372659.db2.gz NBOVFDPHRNALEM-MRXNPFEDSA-N -1 0 333.334 3.853 20 0 EHADRM CC[C@@H](OC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)c1ccc(C)c(F)c1 ZINC001597293431 987390868 /nfs/dbraw/zinc/39/08/68/987390868.db2.gz JBCOAQXKTBFCPH-NUEKZKHPSA-N -1 0 338.375 3.541 20 0 EHADRM CC[C@H](NC(=O)CCc1ccccc1C(=O)[O-])c1ccccc1F ZINC001597333199 987466759 /nfs/dbraw/zinc/46/67/59/987466759.db2.gz DMSUTSIZJWGHIE-KRWDZBQOSA-N -1 0 329.371 3.724 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)Nc2ccc3ccccc3n2)C1 ZINC001589611805 987468427 /nfs/dbraw/zinc/46/84/27/987468427.db2.gz YKAFFKXQBZSRDT-AWEZNQCLSA-N -1 0 341.411 3.590 20 0 EHADRM CC[C@H](NC(=O)N1CCc2cc(C(=O)[O-])ccc2C1)c1ccccc1 ZINC001597334459 987470698 /nfs/dbraw/zinc/47/06/98/987470698.db2.gz XGTLXXQOTNPHFF-SFHVURJKSA-N -1 0 338.407 3.604 20 0 EHADRM CCc1[nH]c(C(=O)N2CC[C@H]([C@H]3CCCC3(C)C)C2)c(C)c1C(=O)[O-] ZINC001597357889 987511751 /nfs/dbraw/zinc/51/17/51/987511751.db2.gz NXLKSCOWFUCDNJ-UONOGXRCSA-N -1 0 346.471 3.872 20 0 EHADRM CCc1[nH]c(C(=O)N(Cc2ccc(F)cc2)C2CC2)c(C)c1C(=O)[O-] ZINC001597358222 987512975 /nfs/dbraw/zinc/51/29/75/987512975.db2.gz WEYWSQHGBIQQGG-UHFFFAOYSA-N -1 0 344.386 3.528 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)c2ccnn2C2CCCC2)c1 ZINC001589651095 987602276 /nfs/dbraw/zinc/60/22/76/987602276.db2.gz VNZZQVBNXJCIMZ-UHFFFAOYSA-N -1 0 342.395 3.580 20 0 EHADRM CCc1[nH]c(CN2CCO[C@H](c3ccccc3Cl)C2)cc1C(=O)[O-] ZINC001597386308 987602895 /nfs/dbraw/zinc/60/28/95/987602895.db2.gz IHGZDBAWSNBUDU-KRWDZBQOSA-N -1 0 348.830 3.502 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(NC(=O)Nc2cccc3cc[nH]c32)n1 ZINC001589656618 987621817 /nfs/dbraw/zinc/62/18/17/987621817.db2.gz RZTSNXHPUPSSQX-UHFFFAOYSA-N -1 0 344.396 3.631 20 0 EHADRM CCc1c(C(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)cnn1C1CCCC1 ZINC001597412237 987704050 /nfs/dbraw/zinc/70/40/50/987704050.db2.gz AFSANWXXYZLATO-LLVKDONJSA-N -1 0 346.383 3.770 20 0 EHADRM CC(C)(C(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21)[C@@H]1CCCCO1 ZINC001589680655 987704514 /nfs/dbraw/zinc/70/45/14/987704514.db2.gz IYTYHTYDEFGIAP-SJORKVTESA-N -1 0 346.423 3.901 20 0 EHADRM CCc1c2ccccc2oc1C(=O)Oc1c(OC)cccc1C(=O)[O-] ZINC001597414371 987710213 /nfs/dbraw/zinc/71/02/13/987710213.db2.gz AVFJDCDPKZWSIS-UHFFFAOYSA-N -1 0 340.331 3.921 20 0 EHADRM CCc1c(NCc2cc(C(=O)[O-])c3n2CCCC3)cnn1CC(C)C ZINC001597419802 987726819 /nfs/dbraw/zinc/72/68/19/987726819.db2.gz JYHOJYDFEXPDIC-UHFFFAOYSA-N -1 0 344.459 3.550 20 0 EHADRM CCc1cc(C(=O)Nc2[nH]cnc2C(=O)[O-])sc1-c1ccccc1 ZINC001597433771 987776892 /nfs/dbraw/zinc/77/68/92/987776892.db2.gz KYEUVUMNKUZGED-UHFFFAOYSA-N -1 0 341.392 3.651 20 0 EHADRM CCc1cc(C(=O)Nc2cccc3cc(C(=O)[O-])sc32)c(C)nn1 ZINC001597437265 987783102 /nfs/dbraw/zinc/78/31/02/987783102.db2.gz KVQJDZJCGVIZMQ-UHFFFAOYSA-N -1 0 341.392 3.513 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)Nc1ccccc1CC(F)(F)F ZINC001589702441 987799319 /nfs/dbraw/zinc/79/93/19/987799319.db2.gz HBGCDBKWFKHMEV-LBPRGKRZSA-N -1 0 346.349 3.802 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)Nc1ccc(F)c(C(F)F)c1 ZINC001589703078 987804831 /nfs/dbraw/zinc/80/48/31/987804831.db2.gz UNXPUICTNUFUGR-LLVKDONJSA-N -1 0 332.322 3.774 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC001589715443 987853690 /nfs/dbraw/zinc/85/36/90/987853690.db2.gz CZLKZXRZEFTPIG-JTQLQIEISA-N -1 0 337.725 3.588 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@@](C)(CC)c1nccs1 ZINC001597457019 987868641 /nfs/dbraw/zinc/86/86/41/987868641.db2.gz PDEFHNGNLVJDBR-KRWDZBQOSA-N -1 0 347.440 3.851 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCc2ccc(F)cc21 ZINC001597457184 987871567 /nfs/dbraw/zinc/87/15/67/987871567.db2.gz QXMNYTHUPLYZJK-UHFFFAOYSA-N -1 0 328.343 3.681 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1csc(C(C)(C)C)n1 ZINC001597465938 987909134 /nfs/dbraw/zinc/90/91/34/987909134.db2.gz KAKYIICMEMVSKY-UHFFFAOYSA-N -1 0 332.425 3.954 20 0 EHADRM CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001589729343 987943567 /nfs/dbraw/zinc/94/35/67/987943567.db2.gz XLYWVJJTMLYYMQ-JSGCOSHPSA-N -1 0 344.415 3.597 20 0 EHADRM CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001589729379 987943601 /nfs/dbraw/zinc/94/36/01/987943601.db2.gz XYJRZASXMUSHSF-RETIVCARSA-N -1 0 335.488 3.990 20 0 EHADRM CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)Cc1ccccc1C(=O)[O-] ZINC001589729436 987945409 /nfs/dbraw/zinc/94/54/09/987945409.db2.gz YNLKDLQPXRHZSU-RDJZCZTQSA-N -1 0 331.456 3.896 20 0 EHADRM CS[C@@H]1CC[C@@H](N(C)C(=O)Nc2cc(C(=O)[O-])sc2C)C1 ZINC001599788221 987961499 /nfs/dbraw/zinc/96/14/99/987961499.db2.gz QAZOPDYYMSLKFS-NXEZZACHSA-N -1 0 328.459 3.503 20 0 EHADRM CC(C)(C)[C@@H]1CN(C(=O)NC2CC(CC(=O)[O-])C2)c2ccccc21 ZINC001589734236 987977742 /nfs/dbraw/zinc/97/77/42/987977742.db2.gz FOJJAWNPYNHFDY-SSDMNJCBSA-N -1 0 330.428 3.599 20 0 EHADRM CCc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000070030412 1015350797 /nfs/dbraw/zinc/35/07/97/1015350797.db2.gz BYOVMGNNMMMFBB-ZDUSSCGKSA-N -1 0 342.420 3.570 20 0 EHADRM CCc1cc(N[C@@H](C)CC(=O)Nc2cccc(C(=O)[O-])c2)ccc1F ZINC001597483392 987986487 /nfs/dbraw/zinc/98/64/87/987986487.db2.gz NJIJMDHSKDFEHM-LBPRGKRZSA-N -1 0 344.386 3.916 20 0 EHADRM CSCC1(CC(=O)N[C@@H](C(=O)[O-])c2cccc3ccccc32)CC1 ZINC001599793654 988055691 /nfs/dbraw/zinc/05/56/91/988055691.db2.gz URXUTVIKNPOSQT-QGZVFWFLSA-N -1 0 343.448 3.615 20 0 EHADRM CCc1ccc(C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)c(O)c1 ZINC001597503612 988072633 /nfs/dbraw/zinc/07/26/33/988072633.db2.gz SWXSRSJYRUQXBU-UHFFFAOYSA-N -1 0 331.393 3.627 20 0 EHADRM CCc1ccc(C(C)(C)CNC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1 ZINC001597508261 988084917 /nfs/dbraw/zinc/08/49/17/988084917.db2.gz JTAQDEBMACYDHJ-UHFFFAOYSA-N -1 0 343.467 3.678 20 0 EHADRM CSC[C@H]1CCCN1C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001599795287 988086813 /nfs/dbraw/zinc/08/68/13/988086813.db2.gz VGVAEDVJASMMIZ-SECBINFHSA-N -1 0 346.811 3.537 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)Nc2cnc(C)c(C(=O)[O-])c2)cc1 ZINC001597511562 988091841 /nfs/dbraw/zinc/09/18/41/988091841.db2.gz CWCFIQCVUDPYQN-LBPRGKRZSA-N -1 0 326.396 3.783 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N[C@H](CC(=O)[O-])c2cccc(C)c2)cc1 ZINC001597511543 988092064 /nfs/dbraw/zinc/09/20/64/988092064.db2.gz CALLMIAFIDPURI-HNAYVOBHSA-N -1 0 339.435 3.993 20 0 EHADRM CSCC[C@@H](OC(=O)c1csc(C2CCCCC2)n1)C(=O)[O-] ZINC001599797592 988122701 /nfs/dbraw/zinc/12/27/01/988122701.db2.gz NPEFXJQUKXSZRN-GFCCVEGCSA-N -1 0 343.470 3.554 20 0 EHADRM CSCCCC(=O)O[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001599797689 988124644 /nfs/dbraw/zinc/12/46/44/988124644.db2.gz SKEGOAMHKQPJMG-LBPRGKRZSA-N -1 0 337.224 3.806 20 0 EHADRM CCc1ccc([C@@H]2CCN(C(=O)c3ccsc3CC(=O)[O-])C2)cc1 ZINC001597516621 988128835 /nfs/dbraw/zinc/12/88/35/988128835.db2.gz FVLFGAJYYCEQMP-OAHLLOKOSA-N -1 0 343.448 3.567 20 0 EHADRM CCc1ccc([C@@H]2CCCN(C(=O)c3oc(C(=O)[O-])cc3C)C2)cc1 ZINC001597517016 988131556 /nfs/dbraw/zinc/13/15/56/988131556.db2.gz JQUSDIDWBZATIG-MRXNPFEDSA-N -1 0 341.407 3.868 20 0 EHADRM CC(C)(C)CN(CC(C)(C)C)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001589780114 988148400 /nfs/dbraw/zinc/14/84/00/988148400.db2.gz LSSKFSGGIIZXFK-BARDWOONSA-N -1 0 338.492 3.590 20 0 EHADRM CCc1ccc(F)cc1C(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1 ZINC001597530545 988186540 /nfs/dbraw/zinc/18/65/40/988186540.db2.gz GVTRCPQDUCFZBP-UHFFFAOYSA-N -1 0 330.355 3.970 20 0 EHADRM CC(C)(C)N(Cc1ccc(F)cc1)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001589795529 988190354 /nfs/dbraw/zinc/19/03/54/988190354.db2.gz FILDNZLHGILOPK-LSDHHAIUSA-N -1 0 335.419 3.844 20 0 EHADRM CCc1ccc(N2CC[NH+](Cc3ccc(C(=O)[O-])c(C)c3)CC2)cc1 ZINC001597535865 988208650 /nfs/dbraw/zinc/20/86/50/988208650.db2.gz YHMHCUMCEWCAIP-UHFFFAOYSA-N -1 0 338.451 3.578 20 0 EHADRM CCc1ccc(NC(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1F ZINC001597546808 988253591 /nfs/dbraw/zinc/25/35/91/988253591.db2.gz KYZFMFSRONUXTE-OAHLLOKOSA-N -1 0 348.349 3.517 20 0 EHADRM CSc1c(F)cc(NC(=O)c2cc(C(=O)[O-])oc2C)cc1F ZINC001599805952 988256014 /nfs/dbraw/zinc/25/60/14/988256014.db2.gz FCBUXZFDKRQTHC-UHFFFAOYSA-N -1 0 327.308 3.539 20 0 EHADRM CCc1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)c(C(=O)[O-])c1 ZINC001597547292 988258167 /nfs/dbraw/zinc/25/81/67/988258167.db2.gz WDLSGVJOBOZQMA-UHFFFAOYSA-N -1 0 341.260 3.756 20 0 EHADRM CSc1cc(Cl)c(C(F)(F)F)cc1NC(=O)CCC(=O)[O-] ZINC001599806904 988270721 /nfs/dbraw/zinc/27/07/21/988270721.db2.gz FKQCPEPIXMNQPC-UHFFFAOYSA-N -1 0 341.738 3.884 20 0 EHADRM CCc1ccc(NCc2ncc(Br)s2)c(C(=O)[O-])c1 ZINC001597552119 988279714 /nfs/dbraw/zinc/27/97/14/988279714.db2.gz TXHLVFMGZHLVTA-UHFFFAOYSA-N -1 0 341.230 3.778 20 0 EHADRM CSc1cc(C(=O)Nc2ncc(C(=O)[O-])c3ccccc23)c(C)o1 ZINC001599807980 988287002 /nfs/dbraw/zinc/28/70/02/988287002.db2.gz YWDBEXXNRLIORP-UHFFFAOYSA-N -1 0 342.376 3.809 20 0 EHADRM CSc1cc(C(=O)N(CCC(=O)[O-])Cc2ccccc2)ccc1F ZINC001599808169 988290399 /nfs/dbraw/zinc/29/03/99/988290399.db2.gz YFPDVEZBVGQPCP-UHFFFAOYSA-N -1 0 347.411 3.665 20 0 EHADRM CCc1ccc(S(=O)(=O)Oc2ccc(C)cc2C(=O)[O-])cc1CC ZINC001597562266 988304959 /nfs/dbraw/zinc/30/49/59/988304959.db2.gz ALDJBQLYMVJXBO-UHFFFAOYSA-N -1 0 348.420 3.586 20 0 EHADRM CC(C)(C)Nc1ccccc1NC(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001589839892 988327504 /nfs/dbraw/zinc/32/75/04/988327504.db2.gz LOCAKHXYELUASD-UHFFFAOYSA-N -1 0 330.359 3.987 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)CO[C@H]1CCCC[C@@H]1CC ZINC001597572922 988355345 /nfs/dbraw/zinc/35/53/45/988355345.db2.gz OXSWUAWQKYHXIC-BBRMVZONSA-N -1 0 333.428 3.871 20 0 EHADRM CCc1cccc(C(=O)N[C@H](CC(=O)[O-])c2cccc3ccccc32)n1 ZINC001597575871 988361913 /nfs/dbraw/zinc/36/19/13/988361913.db2.gz FOQUPZAEDOGIIU-LJQANCHMSA-N -1 0 348.402 3.743 20 0 EHADRM CSc1ccc(C)c(NC(=O)N[C@H](CC(=O)[O-])C2CCCC2)c1 ZINC001599813269 988375627 /nfs/dbraw/zinc/37/56/27/988375627.db2.gz VODOZMKPVVYHIV-OAHLLOKOSA-N -1 0 336.457 3.872 20 0 EHADRM CSc1ccc(Cl)c(NC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC001599813882 988386030 /nfs/dbraw/zinc/38/60/30/988386030.db2.gz AXFPKPIUBSJVJM-GXSJLCMTSA-N -1 0 342.848 3.636 20 0 EHADRM CSc1ccc(Cl)c(C(=O)OC2CCC(C(=O)[O-])CC2)c1 ZINC001599815064 988407714 /nfs/dbraw/zinc/40/77/14/988407714.db2.gz VYNFWVOPVVZCFN-UHFFFAOYSA-N -1 0 328.817 3.862 20 0 EHADRM CSc1ccc(NC(=O)Cc2ccc(C(=O)[O-])cc2)cc1Cl ZINC001599815261 988411569 /nfs/dbraw/zinc/41/15/69/988411569.db2.gz BMYZRBNWVVSRPQ-UHFFFAOYSA-N -1 0 335.812 3.941 20 0 EHADRM CCc1cccc(Cc2nc(COc3cccc(C(=O)[O-])c3)no2)c1 ZINC001597592512 988420269 /nfs/dbraw/zinc/42/02/69/988420269.db2.gz HFLDHRZTJHVNTP-UHFFFAOYSA-N -1 0 338.363 3.500 20 0 EHADRM CCc1cccc2c1OCC[C@H]2N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001597603482 988468278 /nfs/dbraw/zinc/46/82/78/988468278.db2.gz DWYUBFFAXNRQHI-ZWNOBZJWSA-N -1 0 332.425 3.578 20 0 EHADRM CC(C)(C)OC(=O)CCC(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC001589872544 988507393 /nfs/dbraw/zinc/50/73/93/988507393.db2.gz ULPLVULZSXNVQZ-UHFFFAOYSA-N -1 0 343.379 3.598 20 0 EHADRM CSc1ccc([C@H](C)NC(=O)NCc2cc(C(=O)[O-])c(C)o2)cc1 ZINC001599820837 988510689 /nfs/dbraw/zinc/51/06/89/988510689.db2.gz BENHWOLJGNNHHB-JTQLQIEISA-N -1 0 348.424 3.569 20 0 EHADRM CCc1ccccc1NC(=O)[C@H](C)Sc1nc(C(=O)[O-])cs1 ZINC001597611876 988511894 /nfs/dbraw/zinc/51/18/94/988511894.db2.gz RUPRXKPXPBKDQQ-VIFPVBQESA-N -1 0 336.438 3.523 20 0 EHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)O[C@H](C)c1cc(C(=O)[O-])co1 ZINC001597621973 988556073 /nfs/dbraw/zinc/55/60/73/988556073.db2.gz UHNADYYHHVRXBA-XFBWCDHKSA-N -1 0 328.364 3.948 20 0 EHADRM CSc1cccc(F)c1CNC(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001599824138 988567843 /nfs/dbraw/zinc/56/78/43/988567843.db2.gz PMPIOICSLPNCQV-UHFFFAOYSA-N -1 0 348.399 3.876 20 0 EHADRM CSc1ccccc1NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001599825177 988587269 /nfs/dbraw/zinc/58/72/69/988587269.db2.gz KPBRNVCXXCVEOU-UHFFFAOYSA-N -1 0 340.404 3.769 20 0 EHADRM CSc1ccccc1OC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC001599825333 988589888 /nfs/dbraw/zinc/58/98/88/988589888.db2.gz TWNZBHRVVFQMMQ-UHFFFAOYSA-N -1 0 346.404 3.708 20 0 EHADRM CSc1ccsc1-c1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC001599826560 988606420 /nfs/dbraw/zinc/60/64/20/988606420.db2.gz QSQVGZHOJONLFU-UHFFFAOYSA-N -1 0 348.405 3.797 20 0 EHADRM CCc1cnccc1CNC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001597637211 988622842 /nfs/dbraw/zinc/62/28/42/988622842.db2.gz ZXONZXLNGYDPBI-UHFFFAOYSA-N -1 0 349.390 3.817 20 0 EHADRM CCc1nc(C(C)C)ccc1CN[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001597652564 988698851 /nfs/dbraw/zinc/69/88/51/988698851.db2.gz PCVUBLBYTMJBSV-LLVKDONJSA-N -1 0 333.457 3.773 20 0 EHADRM C[C@@H](CC(=O)[O-])OC(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC001599834832 988725739 /nfs/dbraw/zinc/72/57/39/988725739.db2.gz NUUGSPBVCZHISY-JTQLQIEISA-N -1 0 343.310 3.654 20 0 EHADRM CCc1nc(Cc2noc(-c3cc(C(=O)[O-])ccc3Cl)n2)cs1 ZINC001597672917 988768997 /nfs/dbraw/zinc/76/89/97/988768997.db2.gz CAMJULSVDPJBOM-UHFFFAOYSA-N -1 0 349.799 3.698 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccc2c(c1)CCC2 ZINC001599838555 988785651 /nfs/dbraw/zinc/78/56/51/988785651.db2.gz KJLPVTZEEKVUFY-CABCVRRESA-N -1 0 344.455 3.523 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccc2c(c1)CCC2 ZINC001599838556 988785809 /nfs/dbraw/zinc/78/58/09/988785809.db2.gz KJLPVTZEEKVUFY-HUUCEWRRSA-N -1 0 344.455 3.523 20 0 EHADRM CCc1nccc(NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])n1 ZINC001597702686 988932520 /nfs/dbraw/zinc/93/25/20/988932520.db2.gz DOIIDLRJSNPOJN-KRWDZBQOSA-N -1 0 335.407 3.548 20 0 EHADRM C[C@@H]1C[C@H](C)CCN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC001599848522 988974515 /nfs/dbraw/zinc/97/45/15/988974515.db2.gz PZHHCYPVSCNFLH-INMHGKMJSA-N -1 0 346.471 3.916 20 0 EHADRM CCc1nn(C)cc1N[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001597723849 989013386 /nfs/dbraw/zinc/01/33/86/989013386.db2.gz VMPHSDDZWGSODN-CYBMUJFWSA-N -1 0 328.199 3.527 20 0 EHADRM CCc1nnc(-c2cccc(N[C@H](C)CC(C)(C)CC(=O)[O-])c2)o1 ZINC001597724202 989018182 /nfs/dbraw/zinc/01/81/82/989018182.db2.gz ILZCVGOJJHGCSQ-GFCCVEGCSA-N -1 0 331.416 3.990 20 0 EHADRM C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@H]2c2cccc(Cl)c2)C[C@H]1C(=O)[O-] ZINC001599860434 989158267 /nfs/dbraw/zinc/15/82/67/989158267.db2.gz HSJGTAPJDDVJJS-VJUNAUMWSA-N -1 0 349.858 3.793 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1ccccc1N=S(C)(C)=O ZINC001597767701 989224634 /nfs/dbraw/zinc/22/46/34/989224634.db2.gz DGGADHCITDVQIT-UHFFFAOYSA-N -1 0 336.413 3.511 20 0 EHADRM CCc1oc(CN[C@H](c2ccccc2)c2ccccn2)cc1C(=O)[O-] ZINC001597798429 989366167 /nfs/dbraw/zinc/36/61/67/989366167.db2.gz FGBQMJAPLFWCFT-LJQANCHMSA-N -1 0 336.391 3.814 20 0 EHADRM CCc1oc(CN2CCN(CC3CC3)c3ccccc32)cc1C(=O)[O-] ZINC001597800214 989391747 /nfs/dbraw/zinc/39/17/47/989391747.db2.gz YZLQUUYRIHVEBU-UHFFFAOYSA-N -1 0 340.423 3.777 20 0 EHADRM CCc1oc(CNc2ccc(C(=O)N[C@@H](C)CC)cc2)cc1C(=O)[O-] ZINC001597805173 989410611 /nfs/dbraw/zinc/41/06/11/989410611.db2.gz WBLWIEKUXYRFGB-LBPRGKRZSA-N -1 0 344.411 3.681 20 0 EHADRM CC(C)(C)OC(=O)NCc1ccccc1OCc1cc(C(=O)[O-])co1 ZINC001590230489 989604210 /nfs/dbraw/zinc/60/42/10/989604210.db2.gz URSXWVNHKOVZOW-UHFFFAOYSA-N -1 0 347.367 3.582 20 0 EHADRM CCn1c2cc(F)ccc2nc1NCc1ccc(C(=O)[O-])cc1F ZINC001597860007 989632652 /nfs/dbraw/zinc/63/26/52/989632652.db2.gz GYIUOCZEBDZVMW-UHFFFAOYSA-N -1 0 331.322 3.645 20 0 EHADRM CCn1c(S[C@H](C(=O)[O-])C(C)(C)C)nnc1-c1ccc(F)cc1 ZINC001597862413 989642800 /nfs/dbraw/zinc/64/28/00/989642800.db2.gz REZARTZEZCLHGJ-GFCCVEGCSA-N -1 0 337.420 3.696 20 0 EHADRM CCn1cc(C(=O)Nc2cc(C(=O)[O-])ccc2C)c(-c2ccccc2)n1 ZINC001597880077 989700895 /nfs/dbraw/zinc/70/08/95/989700895.db2.gz SDGADINPNBAGBJ-UHFFFAOYSA-N -1 0 349.390 3.829 20 0 EHADRM CC(C)(C)OC1CC(CC(=O)OCc2ccc(C(=O)[O-])cc2F)C1 ZINC001590374740 989871494 /nfs/dbraw/zinc/87/14/94/989871494.db2.gz TWZYXLXWABATNP-UHFFFAOYSA-N -1 0 338.375 3.551 20 0 EHADRM CC(C)(C)O[C@@H]1C[C@H](NC(=O)Nc2cccc(C(=O)[O-])c2)C12CCC2 ZINC001590378559 989882213 /nfs/dbraw/zinc/88/22/13/989882213.db2.gz HQMYBBFSVAKKHA-LSDHHAIUSA-N -1 0 346.427 3.633 20 0 EHADRM CC(C)(C)O[C@@H]1C[C@H]1C(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001590397681 989927481 /nfs/dbraw/zinc/92/74/81/989927481.db2.gz WBKFCRXPLZHCTF-OWCLPIDISA-N -1 0 332.396 3.509 20 0 EHADRM CC(C)(C)Oc1cccc(NC(=O)NC2(CC(=O)[O-])CCCC2)c1 ZINC001590419594 989961021 /nfs/dbraw/zinc/96/10/21/989961021.db2.gz FGKGKJREJMAAQL-UHFFFAOYSA-N -1 0 334.416 3.773 20 0 EHADRM CC(C)(C)Oc1cccc(COC(=O)c2ccc(/C=C\C(=O)[O-])o2)c1 ZINC001590420137 989962687 /nfs/dbraw/zinc/96/26/87/989962687.db2.gz NRVGWXRVQKAAHN-NTMALXAHSA-N -1 0 344.363 3.912 20 0 EHADRM CCn1ncc(Cl)c1C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC001597957690 989973797 /nfs/dbraw/zinc/97/37/97/989973797.db2.gz DHXBAMGVKNERTB-UHFFFAOYSA-N -1 0 335.791 3.630 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)c2ncc3n2CCCC3)s1 ZINC001590463614 990038821 /nfs/dbraw/zinc/03/88/21/990038821.db2.gz NMKCBHROKRTQIL-UHFFFAOYSA-N -1 0 347.440 3.529 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)s1 ZINC001590475662 990050040 /nfs/dbraw/zinc/05/00/40/990050040.db2.gz RYDSUPHZCNLVTH-UHFFFAOYSA-N -1 0 343.448 3.942 20 0 EHADRM CC(C)(C)c1ccc(O)c(NC(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC001590492869 990092875 /nfs/dbraw/zinc/09/28/75/990092875.db2.gz CUIYHPVXXMQTDH-UHFFFAOYSA-N -1 0 331.343 3.779 20 0 EHADRM CC(C)(C)c1ccc(OCC(=O)N[C@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001590493996 990098974 /nfs/dbraw/zinc/09/89/74/990098974.db2.gz SWVRUPNEBNKAEJ-SFHVURJKSA-N -1 0 347.455 3.513 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCN(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)C2 ZINC001590501032 990116519 /nfs/dbraw/zinc/11/65/19/990116519.db2.gz PHIFTECWRXTWIU-CVEARBPZSA-N -1 0 343.467 3.760 20 0 EHADRM CC(C)(C)c1csc(C2CCN(Cc3cc(C(=O)[O-])no3)CC2)n1 ZINC001590533131 990145511 /nfs/dbraw/zinc/14/55/11/990145511.db2.gz PJCFGMHDKJUIMX-UHFFFAOYSA-N -1 0 349.456 3.506 20 0 EHADRM CC(C)(C)c1nc2ccc(Nc3cncc(C(=O)[O-])n3)cc2s1 ZINC001590545276 990179567 /nfs/dbraw/zinc/17/95/67/990179567.db2.gz BCTGZDDEOIYANZ-UHFFFAOYSA-N -1 0 328.397 3.826 20 0 EHADRM CN(C(=O)Cc1cccc(C(=O)[O-])c1)[C@H]1CCC[C@H]1c1ccccc1 ZINC001598036529 990263567 /nfs/dbraw/zinc/26/35/67/990263567.db2.gz LFHILGVJFXFNPV-OALUTQOASA-N -1 0 337.419 3.722 20 0 EHADRM CC(C)(CC(=O)N(CCC(F)(F)F)CC(=O)[O-])C1CCCCC1 ZINC001590617046 990295203 /nfs/dbraw/zinc/29/52/03/990295203.db2.gz XLXCSFGRDOGLEN-UHFFFAOYSA-N -1 0 337.382 3.849 20 0 EHADRM CN(C(=O)Nc1ccc(C(=O)[O-])cn1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001598057114 990322547 /nfs/dbraw/zinc/32/25/47/990322547.db2.gz OAHOEDOMMDUUFK-JKSUJKDBSA-N -1 0 339.395 3.580 20 0 EHADRM CN(C(=O)Nc1cccc(F)c1C(=O)[O-])C1CCC(F)(F)CC1 ZINC001598061271 990332543 /nfs/dbraw/zinc/33/25/43/990332543.db2.gz CFADFEZPMCOPDD-UHFFFAOYSA-N -1 0 330.306 3.566 20 0 EHADRM CN(C(=O)c1cc(C(=O)[O-])ccc1Cl)c1cccc2c1CCCN2 ZINC001598079500 990395267 /nfs/dbraw/zinc/39/52/67/990395267.db2.gz VDHDQTMBFFGSLJ-UHFFFAOYSA-N -1 0 344.798 3.673 20 0 EHADRM CN(C(=O)c1sccc1C(F)F)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598103216 990469438 /nfs/dbraw/zinc/46/94/38/990469438.db2.gz BSLWXPKCEZAVKB-LLVKDONJSA-N -1 0 325.336 3.584 20 0 EHADRM CC(C)(CNC(=O)Nc1cccc(OCC(=O)[O-])c1)C1CCCCC1 ZINC001590738174 990531122 /nfs/dbraw/zinc/53/11/22/990531122.db2.gz FAVVEFYZUWIVFX-UHFFFAOYSA-N -1 0 348.443 3.878 20 0 EHADRM CC(C)(CNC(=O)Nc1cccc(Oc2ccccc2F)c1)C(=O)[O-] ZINC001590738196 990531624 /nfs/dbraw/zinc/53/16/24/990531624.db2.gz GULHQZJRSMKWLS-UHFFFAOYSA-N -1 0 346.358 3.850 20 0 EHADRM CC(C)(CNC(=O)c1ccsc1C(=O)[O-])c1cccc(Cl)c1 ZINC001590757418 990556660 /nfs/dbraw/zinc/55/66/60/990556660.db2.gz UZEYWJHHLCYNTO-UHFFFAOYSA-N -1 0 337.828 3.807 20 0 EHADRM CC(C)(NCc1ccc(Cl)cc1Cl)c1nocc1C(=O)[O-] ZINC001590871438 990778230 /nfs/dbraw/zinc/77/82/30/990778230.db2.gz VIAPJEBFEYNBBW-UHFFFAOYSA-N -1 0 329.183 3.705 20 0 EHADRM CC(C)(NCc1ncc(C(=O)[O-])s1)c1cccc(C(F)(F)F)c1 ZINC001590874862 990786025 /nfs/dbraw/zinc/78/60/25/990786025.db2.gz MLWHTOOWTPDNDJ-UHFFFAOYSA-N -1 0 344.358 3.885 20 0 EHADRM CC(C)=C(C)CC(=O)N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001590912338 990884838 /nfs/dbraw/zinc/88/48/38/990884838.db2.gz IIPWYWYFNPLXRZ-AWEZNQCLSA-N -1 0 329.318 3.694 20 0 EHADRM CC(C)=C[C@H]1[C@@H](C(=O)Nc2cccnc2SCCC(=O)[O-])C1(C)C ZINC001590914230 990896734 /nfs/dbraw/zinc/89/67/34/990896734.db2.gz CLTLUDKCIVLIRU-WFASDCNBSA-N -1 0 348.468 3.825 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)C1(C)C ZINC001590914243 990896930 /nfs/dbraw/zinc/89/69/30/990896930.db2.gz CPWDDGLMVRKRCB-WCXIOVBPSA-N -1 0 327.424 3.654 20 0 EHADRM COc1cccc([C@H](NC(=O)C2CC(C)(C)CC(C)(C)C2)C(=O)[O-])c1 ZINC001599685206 990977147 /nfs/dbraw/zinc/97/71/47/990977147.db2.gz FRRKRXVQJRVFEQ-INIZCTEOSA-N -1 0 347.455 3.790 20 0 EHADRM CC(C)C(=O)c1ccc(NC(=O)c2ccccc2CCC(=O)[O-])cc1 ZINC001590949081 991005496 /nfs/dbraw/zinc/00/54/96/991005496.db2.gz KFVNFQFEKWUBNC-UHFFFAOYSA-N -1 0 339.391 3.795 20 0 EHADRM CC(C)C(=O)c1ccc([C@H](C)C(=O)O[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC001590949382 991007560 /nfs/dbraw/zinc/00/75/60/991007560.db2.gz QEWMTGQPONILPK-JQFCIGGWSA-N -1 0 346.423 3.815 20 0 EHADRM CC(C)[C@H](C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1)c1cccnc1 ZINC001590960335 991050297 /nfs/dbraw/zinc/05/02/97/991050297.db2.gz AZGYMHNNLGAOBR-HNNXBMFYSA-N -1 0 333.771 3.778 20 0 EHADRM COc1cccc2c1[C@H](C(=O)OCc1cc(C(=O)[O-])sc1C)CC2 ZINC001599690141 991054636 /nfs/dbraw/zinc/05/46/36/991054636.db2.gz UQTCBCWIHDATML-CYBMUJFWSA-N -1 0 346.404 3.537 20 0 EHADRM CC(C)[C@@H](CC(F)(F)F)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001590975400 991117480 /nfs/dbraw/zinc/11/74/80/991117480.db2.gz BQQSLWMLXCBSJG-LLVKDONJSA-N -1 0 336.285 3.622 20 0 EHADRM CC(C)[C@@H](CC(=O)N[C@@H](CC(=O)[O-])C1CCCC1)c1ccccc1 ZINC001590976070 991121488 /nfs/dbraw/zinc/12/14/88/991121488.db2.gz KWSOAUVYJKMPBT-MSOLQXFVSA-N -1 0 331.456 3.966 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)Nc1cccc(C(=O)[O-])c1Cl ZINC001599697283 991166677 /nfs/dbraw/zinc/16/66/77/991166677.db2.gz VHQBRYDDWDKAAD-UHFFFAOYSA-N -1 0 347.798 3.963 20 0 EHADRM CN(C)c1c(Cl)cccc1NCc1cc(C(=O)[O-])c2n1CCCC2 ZINC001598287166 991184978 /nfs/dbraw/zinc/18/49/78/991184978.db2.gz AGQQVBQWDFZKIP-UHFFFAOYSA-N -1 0 347.846 3.854 20 0 EHADRM COc1ccccc1[C@H](NCc1cc(C(=O)[O-])c(C)o1)c1ccco1 ZINC001599700280 991207800 /nfs/dbraw/zinc/20/78/00/991207800.db2.gz OUWAPMKNAMOJDZ-SFHVURJKSA-N -1 0 341.363 3.767 20 0 EHADRM CC(C)[C@H](NC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1)C1CC1 ZINC001591014693 991292989 /nfs/dbraw/zinc/29/29/89/991292989.db2.gz PFSILLQESYIEDY-ZDUSSCGKSA-N -1 0 328.771 3.733 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)O[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001599709411 991345164 /nfs/dbraw/zinc/34/51/64/991345164.db2.gz RNGYVZGVIGHTLD-STQMWFEESA-N -1 0 346.379 3.860 20 0 EHADRM CN(C)c1ccc(OC(=O)[C@H]2CCCC[C@@H]2C2CC2)cc1C(=O)[O-] ZINC001598328786 991356337 /nfs/dbraw/zinc/35/63/37/991356337.db2.gz BNGMGTNGVFBBRI-CABCVRRESA-N -1 0 331.412 3.573 20 0 EHADRM CC(C)[C@H](OC(=O)c1cscc1C(=O)[O-])C(=O)c1ccccc1 ZINC001591045632 991423756 /nfs/dbraw/zinc/42/37/56/991423756.db2.gz MHPQBUYYBKGSFO-HNNXBMFYSA-N -1 0 332.377 3.511 20 0 EHADRM CC(C)[C@H](S[C@@H](C)c1ccccc1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001591051409 991450074 /nfs/dbraw/zinc/45/00/74/991450074.db2.gz BHMYVTNQPWTDBK-YOEHRIQHSA-N -1 0 349.496 3.829 20 0 EHADRM CC(C)[C@]1(C)C[C@@H]1C(=O)OCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001591062049 991506023 /nfs/dbraw/zinc/50/60/23/991506023.db2.gz SEITUOIYKKDBGP-BEFAXECRSA-N -1 0 343.379 3.765 20 0 EHADRM COc1cncc(/C=C\CCOc2ccc(C(=O)[O-])cc2Cl)c1 ZINC001599725978 991625291 /nfs/dbraw/zinc/62/52/91/991625291.db2.gz DCXKLFOSSUEUJZ-RQOWECAXSA-N -1 0 333.771 3.924 20 0 EHADRM CC(C)[C@H]1CN(C(=O)c2ccsc2CC(=O)[O-])c2ccccc21 ZINC001591092693 991647205 /nfs/dbraw/zinc/64/72/05/991647205.db2.gz CNJKGFWUTGEHNB-CQSZACIVSA-N -1 0 329.421 3.775 20 0 EHADRM CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001591092915 991651695 /nfs/dbraw/zinc/65/16/95/991651695.db2.gz HBMPLEOSGBYISH-RHSMWYFYSA-N -1 0 336.407 3.597 20 0 EHADRM CC(C)[C@H]1N(C(=O)Nc2cc(C(=O)[O-])ccn2)CC12CCCCC2 ZINC001591099844 991716589 /nfs/dbraw/zinc/71/65/89/991716589.db2.gz QVLRZEDZPLMXDG-OAHLLOKOSA-N -1 0 331.416 3.602 20 0 EHADRM CC(C)C[C@@H](C(=O)N[C@@](C)(C(=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC001591118699 991785545 /nfs/dbraw/zinc/78/55/45/991785545.db2.gz XYCVCPKEZHSLGM-CRAIPNDOSA-N -1 0 337.847 3.839 20 0 EHADRM CC(C)C[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001591130487 991822984 /nfs/dbraw/zinc/82/29/84/991822984.db2.gz IPHBVLCCFLOPDG-ZWNOBZJWSA-N -1 0 331.334 3.630 20 0 EHADRM CC(C)C[C@@H](CNC(=O)CCc1ccc(F)c2ccccc12)C(=O)[O-] ZINC001591149263 991890089 /nfs/dbraw/zinc/89/00/89/991890089.db2.gz PVAUKLQGDUDSOS-HNNXBMFYSA-N -1 0 345.414 3.775 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1cccc(F)c1C(C)(F)F)C(=O)[O-] ZINC001591150598 991892396 /nfs/dbraw/zinc/89/23/96/991892396.db2.gz HPIOWMYRYIPQKQ-SNVBAGLBSA-N -1 0 346.349 3.806 20 0 EHADRM CN(CC1CCCC1)C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001598455496 991931367 /nfs/dbraw/zinc/93/13/67/991931367.db2.gz QENNATLQWWYNKX-UHFFFAOYSA-N -1 0 345.443 3.639 20 0 EHADRM CC(C)C[C@H](NC(=O)Nc1nc(CC(=O)[O-])cs1)c1ccccc1 ZINC001591178877 991978561 /nfs/dbraw/zinc/97/85/61/991978561.db2.gz WRRSPPONTBOWLE-AWEZNQCLSA-N -1 0 347.440 3.679 20 0 EHADRM CC(C)CC1(C(=O)Nc2ccc3cnn(CC(=O)[O-])c3c2)CCCC1 ZINC001591192024 992006311 /nfs/dbraw/zinc/00/63/11/992006311.db2.gz KQLGRUAIUAJVOI-UHFFFAOYSA-N -1 0 343.427 3.666 20 0 EHADRM CC(C)CC1(CNC(=O)Cn2cc(C(=O)[O-])c3ccccc32)CCC1 ZINC001591197248 992016319 /nfs/dbraw/zinc/01/63/19/992016319.db2.gz WZDPFMBXCPILGU-UHFFFAOYSA-N -1 0 342.439 3.672 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)CCn1c2ccccc2c2ccccc21 ZINC001598474248 992062878 /nfs/dbraw/zinc/06/28/78/992062878.db2.gz DTOKWYAGUPUHBI-UHFFFAOYSA-N -1 0 338.407 3.508 20 0 EHADRM CC(C)CC[C@@H]1CCC[C@H]1Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001591227386 992098458 /nfs/dbraw/zinc/09/84/58/992098458.db2.gz FGTAODQSAJXQGB-WMLDXEAASA-N -1 0 332.444 3.518 20 0 EHADRM CC(C)CCO[C@@H](C)C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001591256374 992156108 /nfs/dbraw/zinc/15/61/08/992156108.db2.gz JLAIQMWVYLFSJC-VIFPVBQESA-N -1 0 331.771 3.567 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)NCCC(C)(C)C(=O)[O-])cc1 ZINC001591261242 992173055 /nfs/dbraw/zinc/17/30/55/992173055.db2.gz XUHMEPDXVKYYPY-UHFFFAOYSA-N -1 0 336.432 3.734 20 0 EHADRM CC(C)CCOc1ccc(NCc2cc(C(=O)[O-])n(C)c2)c(F)c1 ZINC001591261287 992174178 /nfs/dbraw/zinc/17/41/78/992174178.db2.gz ZUYDDDVRAMFXRY-UHFFFAOYSA-N -1 0 334.391 3.899 20 0 EHADRM CC(C)CCn1c(NCc2cc(C(=O)[O-])co2)nc2ccccc21 ZINC001591274554 992194802 /nfs/dbraw/zinc/19/48/02/992194802.db2.gz QPHRYIZCWOBJAZ-UHFFFAOYSA-N -1 0 327.384 3.986 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CCc1ccc2[nH]ccc2c1 ZINC001591309353 992265366 /nfs/dbraw/zinc/26/53/66/992265366.db2.gz SHDDGSKRWBHURH-UHFFFAOYSA-N -1 0 344.455 3.696 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)/C=C/c1ccccc1C(F)(F)F ZINC001591323749 992297588 /nfs/dbraw/zinc/29/75/88/992297588.db2.gz SWGPTOUYANAVHX-BQYQJAHWSA-N -1 0 343.345 3.678 20 0 EHADRM CC(C)CN(CCc1ccccc1)C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001591342448 992320003 /nfs/dbraw/zinc/32/00/03/992320003.db2.gz BBGOJQMARVVFJB-UHFFFAOYSA-N -1 0 343.467 3.749 20 0 EHADRM CC(C)CN(Cc1ccccn1)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC001591344318 992330369 /nfs/dbraw/zinc/33/03/69/992330369.db2.gz WMSGFZIKESSIEX-UHFFFAOYSA-N -1 0 333.413 3.531 20 0 EHADRM CN(Cc1ncc(C(=O)[O-])s1)Cc1cc(Cl)cc(Cl)c1 ZINC001598506679 992512763 /nfs/dbraw/zinc/51/27/63/992512763.db2.gz AMDFMTDZVUFRAN-UHFFFAOYSA-N -1 0 331.224 3.780 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cccc2cccc(O)c21 ZINC001598512132 992575151 /nfs/dbraw/zinc/57/51/51/992575151.db2.gz NMQWOAYKWIJZCS-UHFFFAOYSA-N -1 0 335.359 3.516 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cc2cc(Cl)sc2[nH]1 ZINC001598512280 992576747 /nfs/dbraw/zinc/57/67/47/992576747.db2.gz XNGRYKLNUUCSDW-UHFFFAOYSA-N -1 0 348.811 3.853 20 0 EHADRM CC(C)Cc1c[nH]c(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)c1 ZINC001591475648 992589209 /nfs/dbraw/zinc/58/92/09/992589209.db2.gz AUIOUURSBWZHGC-UHFFFAOYSA-N -1 0 338.766 3.956 20 0 EHADRM CC(C)Cc1c[nH]c(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2O)c1 ZINC001591475986 992592400 /nfs/dbraw/zinc/59/24/00/992592400.db2.gz NGJPPDDHRAHIEC-UHFFFAOYSA-N -1 0 336.775 3.523 20 0 EHADRM CC(C)Cc1ccc(NC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)cc1 ZINC001591484559 992611054 /nfs/dbraw/zinc/61/10/54/992611054.db2.gz ZYNMTYSKBMRGCU-WTTBNOFXSA-N -1 0 330.428 3.506 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)c1 ZINC001591488660 992617134 /nfs/dbraw/zinc/61/71/34/992617134.db2.gz INEKMOHQTFISER-IIDMSEBBSA-N -1 0 331.456 3.558 20 0 EHADRM CN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC001598517229 992630965 /nfs/dbraw/zinc/63/09/65/992630965.db2.gz CORBCDCXTLYWFJ-UHFFFAOYSA-N -1 0 330.818 3.825 20 0 EHADRM CC(C)Cn1c(C2CCC2)nnc1N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001591508251 992662153 /nfs/dbraw/zinc/66/21/53/992662153.db2.gz OCEDVRLOJYYKCC-UHFFFAOYSA-N -1 0 342.443 3.536 20 0 EHADRM CN(Cc1ccc(OC(F)F)cc1)c1nc(Cl)c(C(=O)[O-])s1 ZINC001598519732 992664536 /nfs/dbraw/zinc/66/45/36/992664536.db2.gz CBPSYXLBQXVBEM-UHFFFAOYSA-N -1 0 348.758 3.733 20 0 EHADRM CC(C)Cn1cc(C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)[O-])c2ccccc21 ZINC001591520099 992686057 /nfs/dbraw/zinc/68/60/57/992686057.db2.gz FBSIFHRGGINPRD-RDTXWAMCSA-N -1 0 342.439 3.623 20 0 EHADRM CC(C)Cn1ccc2c1cccc2C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001591521338 992689987 /nfs/dbraw/zinc/68/99/87/992689987.db2.gz HDVOUTRPDOLQDN-WMLDXEAASA-N -1 0 342.439 3.671 20 0 EHADRM CN(Cc1cccc(C(=O)[O-])c1)c1ccc(C(=O)NC(C)(C)C)cc1 ZINC001598525757 992718374 /nfs/dbraw/zinc/71/83/74/992718374.db2.gz YEZBWEVCJDMPCC-UHFFFAOYSA-N -1 0 340.423 3.550 20 0 EHADRM CC(C)N(CC1CC1)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001591573559 992778083 /nfs/dbraw/zinc/77/80/83/992778083.db2.gz LVIKKVBWEQSVPO-UHFFFAOYSA-N -1 0 342.342 3.639 20 0 EHADRM CN(Cc1ccns1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598531463 992785711 /nfs/dbraw/zinc/78/57/11/992785711.db2.gz RVZKCHWAZMEMKE-LBPRGKRZSA-N -1 0 331.224 3.708 20 0 EHADRM CN(Cc1cncc(F)c1)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598533195 992813261 /nfs/dbraw/zinc/81/32/61/992813261.db2.gz OCIZPDFTIRNCKA-AWEZNQCLSA-N -1 0 343.185 3.785 20 0 EHADRM CN(c1ccccc1NCc1cccc(C(=O)[O-])n1)C1CCCC1 ZINC001598545463 992939913 /nfs/dbraw/zinc/93/99/13/992939913.db2.gz CDJRWTPQIYWFQT-UHFFFAOYSA-N -1 0 325.412 3.771 20 0 EHADRM CN(c1ncc(C(=O)[O-])cc1Cl)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC001598546544 992951252 /nfs/dbraw/zinc/95/12/52/992951252.db2.gz DJNDGXAVDCDOKK-AOOOYVTPSA-N -1 0 336.741 3.991 20 0 EHADRM C[C@@H](c1cccs1)N(C)C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000339851611 1015751929 /nfs/dbraw/zinc/75/19/29/1015751929.db2.gz WDIGONMHRFTPBN-NSHDSACASA-N -1 0 345.399 3.612 20 0 EHADRM C[C@H](c1cccs1)N(C)C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000339851610 1015752184 /nfs/dbraw/zinc/75/21/84/1015752184.db2.gz WDIGONMHRFTPBN-LLVKDONJSA-N -1 0 345.399 3.612 20 0 EHADRM C[C@H](NC(=O)NCC1(CC(=O)[O-])CCCC1)[C@H]1CC2CCC1CC2 ZINC001593087860 993696795 /nfs/dbraw/zinc/69/67/95/993696795.db2.gz APGHNNGZWIOMPA-SLTXQBBLSA-N -1 0 336.476 3.536 20 0 EHADRM C[C@H](NC(=O)NCCCCCC(=O)[O-])C1(c2ccccc2)CCCC1 ZINC001593094093 993711459 /nfs/dbraw/zinc/71/14/59/993711459.db2.gz GTQCTZZPDQTTEF-INIZCTEOSA-N -1 0 346.471 3.831 20 0 EHADRM C[C@H](NC(=O)Nc1cncc(C(=O)[O-])c1)c1cccc2ccccc21 ZINC001593123761 993845417 /nfs/dbraw/zinc/84/54/17/993845417.db2.gz LNKBAIATWBSRQO-LBPRGKRZSA-N -1 0 335.363 3.816 20 0 EHADRM CN1CCN(Cc2ccc(C(=O)[O-])c(Cl)c2)c2ccc(F)cc21 ZINC001598619212 993966395 /nfs/dbraw/zinc/96/63/95/993966395.db2.gz ICNIGIFDKHXKIB-UHFFFAOYSA-N -1 0 334.778 3.634 20 0 EHADRM C[C@H](NC(=O)c1cc(F)cc(C(=O)[O-])c1)c1nc2ccccc2s1 ZINC001593156290 993973710 /nfs/dbraw/zinc/97/37/10/993973710.db2.gz RAKIAINMFMRLAV-VIFPVBQESA-N -1 0 344.367 3.625 20 0 EHADRM C[C@@H](NC(=O)c1cc(F)cc(C(=O)[O-])c1)C(C)(C)c1ccccc1 ZINC001593156746 993978446 /nfs/dbraw/zinc/97/84/46/993978446.db2.gz VZZTXQQEUDAUKR-GFCCVEGCSA-N -1 0 329.371 3.620 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1F)c1ccc2ncsc2c1 ZINC001593160502 993991382 /nfs/dbraw/zinc/99/13/82/993991382.db2.gz YBODOWLFTCOCKZ-SECBINFHSA-N -1 0 344.367 3.625 20 0 EHADRM C[C@@H](NC(=O)c1ccc(/C=C/C(=O)[O-])o1)c1ccc(Cl)c(F)c1 ZINC001593163593 994002611 /nfs/dbraw/zinc/00/26/11/994002611.db2.gz SIZOASLANWCLIY-ILFKPUCNSA-N -1 0 337.734 3.661 20 0 EHADRM COc1ccc([C@@H](C)OC(=O)c2ccc(/C=C\C(=O)[O-])o2)cc1C ZINC001599620428 994073068 /nfs/dbraw/zinc/07/30/68/994073068.db2.gz PGQBBRALVWKAQZ-OJIASSBASA-N -1 0 330.336 3.612 20 0 EHADRM C[C@@H](NC(=O)c1ccsc1C(=O)[O-])c1nc2ccccc2s1 ZINC001593183361 994075869 /nfs/dbraw/zinc/07/58/69/994075869.db2.gz CXAYEOCARJUIIZ-MRVPVSSYSA-N -1 0 332.406 3.547 20 0 EHADRM C[C@@H](N[C@H](C(=O)[O-])c1ccc(F)cc1)c1nc(C(F)(F)F)cs1 ZINC001593194206 994131328 /nfs/dbraw/zinc/13/13/28/994131328.db2.gz BFLPZZKTZGCKAE-HQJQHLMTSA-N -1 0 348.321 3.778 20 0 EHADRM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl)c1ccccn1 ZINC001593194712 994140758 /nfs/dbraw/zinc/14/07/58/994140758.db2.gz MAASMWFIQDYZAC-YMTOWFKASA-N -1 0 325.195 3.865 20 0 EHADRM C[C@H](N[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl)c1cscn1 ZINC001593196976 994159698 /nfs/dbraw/zinc/15/96/98/994159698.db2.gz XMBCACSSEYLMCM-JVXZTZIISA-N -1 0 331.224 3.926 20 0 EHADRM C[C@@H](N[C@@H](C)c1ccc(Br)cn1)c1ccc(C(=O)[O-])o1 ZINC001593198442 994171599 /nfs/dbraw/zinc/17/15/99/994171599.db2.gz REAQMYUFCKSVKM-DTWKUNHWSA-N -1 0 339.189 3.547 20 0 EHADRM C[C@@H](N[C@@H](C)c1cc(Cl)cc2c1OCC2)c1ccc(C(=O)[O-])o1 ZINC001593198489 994173346 /nfs/dbraw/zinc/17/33/46/994173346.db2.gz RMFILNXEPTVKTR-VHSXEESVSA-N -1 0 335.787 3.978 20 0 EHADRM O=C([O-])CCN(C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)C1CC1 ZINC000238045914 1015839909 /nfs/dbraw/zinc/83/99/09/1015839909.db2.gz PAWUWPOXLUGIMN-KGLIPLIRSA-N -1 0 342.222 3.563 20 0 EHADRM COc1ccc2cc(NC(=O)Cc3ccc(C(=O)[O-])cc3)ccc2c1 ZINC001599634430 994265710 /nfs/dbraw/zinc/26/57/10/994265710.db2.gz NIJWSKGLFCXHKR-UHFFFAOYSA-N -1 0 335.359 3.728 20 0 EHADRM COc1ccc2oc(C)c(C(=O)OC3CCC(C(=O)[O-])CC3)c2c1 ZINC001599637529 994310572 /nfs/dbraw/zinc/31/05/72/994310572.db2.gz MRWGOLSZSHSMGO-UHFFFAOYSA-N -1 0 332.352 3.550 20 0 EHADRM COc1ccc2oc(C)c(C(=O)Nc3ccc(C(=O)[O-])s3)c2c1 ZINC001599637910 994316096 /nfs/dbraw/zinc/31/60/96/994316096.db2.gz ZQFPSJSVGOLWNN-UHFFFAOYSA-N -1 0 331.349 3.762 20 0 EHADRM COc1cccc(-c2nc(CN(CC(=O)[O-])C3CCCCC3)co2)c1 ZINC001599640092 994345980 /nfs/dbraw/zinc/34/59/80/994345980.db2.gz GQLOUARMSBSUHG-UHFFFAOYSA-N -1 0 344.411 3.570 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)CC(C)(C)c1ccc(F)cc1 ZINC001599643532 994391375 /nfs/dbraw/zinc/39/13/75/994391375.db2.gz CUGKCERTUPCLRF-UHFFFAOYSA-N -1 0 346.354 3.806 20 0 EHADRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)[C@@H]2CCC=CCCC2)c1 ZINC001599648716 994462891 /nfs/dbraw/zinc/46/28/91/994462891.db2.gz BXIUHHRNFZUAAK-QRWLVFNGSA-N -1 0 345.439 3.638 20 0 EHADRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)C[C@@H]2CCCC[C@@H]2C)c1 ZINC001599652476 994525844 /nfs/dbraw/zinc/52/58/44/994525844.db2.gz NLAILODKBHKHGH-AVYPCKFXSA-N -1 0 347.455 3.718 20 0 EHADRM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)CCC2CCCCC2)c1 ZINC001599653587 994543164 /nfs/dbraw/zinc/54/31/64/994543164.db2.gz YHXJIKOFBFCXKV-HXUWFJFHSA-N -1 0 347.455 3.862 20 0 EHADRM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)OCC2CCCCC2)c1 ZINC001599654433 994555126 /nfs/dbraw/zinc/55/51/26/994555126.db2.gz YRQGOAZDXFSYJY-LJQANCHMSA-N -1 0 349.427 3.692 20 0 EHADRM COc1cccc([C@@H](C)C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)c1 ZINC001599654575 994557157 /nfs/dbraw/zinc/55/71/57/994557157.db2.gz RPYPCWVJELZNED-LLVKDONJSA-N -1 0 345.420 3.858 20 0 EHADRM COc1cccc(/C(C)=C\C(=O)O[C@@H](C(=O)[O-])c2ccsc2)c1 ZINC001599654642 994558235 /nfs/dbraw/zinc/55/82/35/994558235.db2.gz VWTROAONDHMLGS-JXMNSVBMSA-N -1 0 332.377 3.529 20 0 EHADRM COc1cccc([C@H](C)CC(=O)O[C@H](C(=O)[O-])c2ccsc2)c1 ZINC001599655026 994565084 /nfs/dbraw/zinc/56/50/84/994565084.db2.gz HVHNPJKYGXENFM-BZNIZROVSA-N -1 0 334.393 3.619 20 0 EHADRM COc1cccc(C(F)F)c1C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC001599659116 994628597 /nfs/dbraw/zinc/62/85/97/994628597.db2.gz WQNDJSMUKPZXNU-UHFFFAOYSA-N -1 0 335.306 3.892 20 0 EHADRM C[C@](NCc1cc(-c2ccc(F)cc2)no1)(C(=O)[O-])c1ccccc1 ZINC001593288793 994659418 /nfs/dbraw/zinc/65/94/18/994659418.db2.gz NKPMPNANQKAFKE-LJQANCHMSA-N -1 0 340.354 3.570 20 0 EHADRM C[C@H](NCc1ccc(C(=O)[O-])c(Cl)c1)c1c(F)cncc1F ZINC001593291885 994671938 /nfs/dbraw/zinc/67/19/38/994671938.db2.gz FENGIUQXQVMRLQ-QMMMGPOBSA-N -1 0 326.730 3.562 20 0 EHADRM C[C@](NCc1ccc(Cl)nc1Cl)(C(=O)[O-])c1ccc(F)cc1 ZINC001593298852 994718944 /nfs/dbraw/zinc/71/89/44/994718944.db2.gz NWQPAPMGWOPNMB-OAHLLOKOSA-N -1 0 343.185 3.617 20 0 EHADRM C[C@@H](NCc1ccsc1Br)c1cc(C(=O)[O-])co1 ZINC001593309782 994767775 /nfs/dbraw/zinc/76/77/75/994767775.db2.gz AORPDUUIEQDZQJ-SSDOTTSWSA-N -1 0 330.203 3.653 20 0 EHADRM C[C@](NCc1cnc(-c2ccccc2)s1)(C(=O)[O-])c1ccccc1 ZINC001593311945 994791067 /nfs/dbraw/zinc/79/10/67/994791067.db2.gz WKKXKTVUHJEVJO-LJQANCHMSA-N -1 0 338.432 3.900 20 0 EHADRM C[C@H](NCc1ncc(C(=O)[O-])s1)c1ccc(F)c2ccccc21 ZINC001593316001 994809319 /nfs/dbraw/zinc/80/93/19/994809319.db2.gz DVMFZSVHXZHGJY-JTQLQIEISA-N -1 0 330.384 3.984 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)OCO2)c1c(Cl)cccc1Cl ZINC000016099448 1015894458 /nfs/dbraw/zinc/89/44/58/1015894458.db2.gz RBFJXMOLQGPSRJ-UHFFFAOYSA-N -1 0 346.191 3.523 20 0 EHADRM C[C@H](Nc1ccc(O[C@@H]2CC2(F)F)cc1)c1cncc(C(=O)[O-])c1 ZINC001593362998 995034375 /nfs/dbraw/zinc/03/43/75/995034375.db2.gz MRPPEFLMCICUKN-ZUZCIYMTSA-N -1 0 334.322 3.739 20 0 EHADRM C[C@@H](Nc1ccc2oc(C(C)(C)C)nc2c1)c1nc(C(=O)[O-])co1 ZINC001593365808 995044510 /nfs/dbraw/zinc/04/45/10/995044510.db2.gz KMXVXULRQPOPEG-SECBINFHSA-N -1 0 329.356 3.985 20 0 EHADRM C[C@H](Nc1nccc(C(=O)[O-])n1)c1cc(F)c(Cl)cc1Cl ZINC001593373979 995071365 /nfs/dbraw/zinc/07/13/65/995071365.db2.gz MIQXBXVEDNUFMQ-LURJTMIESA-N -1 0 330.146 3.794 20 0 EHADRM C[C@H](Nc1ncc(C(=O)[O-])cc1Cl)c1noc(-c2ccccc2)n1 ZINC001593374940 995075967 /nfs/dbraw/zinc/07/59/67/995075967.db2.gz WUIUHEPWDHUGAJ-VIFPVBQESA-N -1 0 344.758 3.656 20 0 EHADRM COC(=O)[C@H](S[C@@H](C)CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001598712396 995364150 /nfs/dbraw/zinc/36/41/50/995364150.db2.gz PJHBKRXFTGXUBL-QPUJVOFHSA-N -1 0 336.331 3.516 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)c1F ZINC000180468330 1015955706 /nfs/dbraw/zinc/95/57/06/1015955706.db2.gz NRHCQFZLUZUSTA-UHFFFAOYSA-N -1 0 331.315 3.536 20 0 EHADRM C[C@@H](OC(=O)Cc1cccc(C(=O)[O-])c1)c1csc(C2CC2)n1 ZINC001593536914 995599074 /nfs/dbraw/zinc/59/90/74/995599074.db2.gz BKOMUMBSPHKNMF-SNVBAGLBSA-N -1 0 331.393 3.566 20 0 EHADRM C[C@@H](OC(=O)c1cc(C(F)F)ccc1F)c1ccc(C(=O)[O-])o1 ZINC001593556535 995643891 /nfs/dbraw/zinc/64/38/91/995643891.db2.gz OHMYZHXGXIIDEL-SSDOTTSWSA-N -1 0 328.242 3.973 20 0 EHADRM C[C@H](OC(=O)c1cc2ccccc2cc1O)c1ccc(C(=O)[O-])o1 ZINC001593573211 995671329 /nfs/dbraw/zinc/67/13/29/995671329.db2.gz PTXPWEHFFVVTHH-JTQLQIEISA-N -1 0 326.304 3.755 20 0 EHADRM C[C@@H](OC(=O)c1ccsc1CC(=O)[O-])c1ccc(F)c(F)c1 ZINC001593597026 995736753 /nfs/dbraw/zinc/73/67/53/995736753.db2.gz GHIXIKMIGCKIAL-MRVPVSSYSA-N -1 0 326.320 3.571 20 0 EHADRM C[C@H](Oc1ccc(CN[C@H](c2ccccc2)C(F)F)cc1)C(=O)[O-] ZINC001593617676 995853689 /nfs/dbraw/zinc/85/36/89/995853689.db2.gz MHQCMCINLLGDQW-BLLLJJGKSA-N -1 0 335.350 3.635 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)CCC[Si](C)(C)C)cc1F)C(=O)[O-] ZINC001593625962 995892521 /nfs/dbraw/zinc/89/25/21/995892521.db2.gz CWAFCCCRUNLKTN-NSHDSACASA-N -1 0 341.455 3.735 20 0 EHADRM C[C@H](Oc1ccccc1F)c1nnc([C@H]2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001593651485 996012382 /nfs/dbraw/zinc/01/23/82/996012382.db2.gz NIKVLHUZAWRQET-SDDRHHMPSA-N -1 0 334.347 3.707 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)Nc1ccccc1O[C@@H](C)c1ccccc1 ZINC001593652187 996016452 /nfs/dbraw/zinc/01/64/52/996016452.db2.gz XORJELUGZPDKFV-KGLIPLIRSA-N -1 0 342.395 3.811 20 0 EHADRM C[C@H](SCC(C)(C)C(=O)[O-])C(=O)Nc1ccccc1C(F)(F)F ZINC001593656609 996027308 /nfs/dbraw/zinc/02/73/08/996027308.db2.gz KBVDUCWUQZZZJA-VIFPVBQESA-N -1 0 349.374 3.876 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)OCC1(CC(=O)[O-])CC1 ZINC001593664263 996050043 /nfs/dbraw/zinc/05/00/43/996050043.db2.gz KNJYIWRIWTVLBP-JTQLQIEISA-N -1 0 328.817 3.619 20 0 EHADRM C[C@H](Sc1ccc(C(=O)[O-])cc1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC001593664477 996051988 /nfs/dbraw/zinc/05/19/88/996051988.db2.gz VNCSALLCUZTTDI-LMOYCYGVSA-N -1 0 335.469 3.806 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CC[C@H]1C1CCCC1)C(=O)[O-] ZINC001593667148 996056064 /nfs/dbraw/zinc/05/60/64/996056064.db2.gz BGUCLZVVKBHEHU-WFASDCNBSA-N -1 0 333.453 3.657 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)OCc1occc1C(=O)[O-] ZINC001593673300 996083434 /nfs/dbraw/zinc/08/34/34/996083434.db2.gz JEQRMKAEOHKGDT-VIFPVBQESA-N -1 0 340.784 3.855 20 0 EHADRM C[C@@H](Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)C(=O)[O-] ZINC001593678347 996091842 /nfs/dbraw/zinc/09/18/42/996091842.db2.gz KPKOXTDASPUKDP-LLVKDONJSA-N -1 0 343.383 3.639 20 0 EHADRM C[C@H](c1c(F)cccc1F)N(C)C(=O)c1ccc(C(=O)[O-])s1 ZINC001593687327 996127451 /nfs/dbraw/zinc/12/74/51/996127451.db2.gz RGKUIGWJPMTHRY-MRVPVSSYSA-N -1 0 325.336 3.558 20 0 EHADRM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC001593691118 996138503 /nfs/dbraw/zinc/13/85/03/996138503.db2.gz ZVHAOAFIANZOQU-ZDUSSCGKSA-N -1 0 348.830 3.510 20 0 EHADRM C[C@@H](c1ccc2c(c1)CCC2)S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001593698193 996162210 /nfs/dbraw/zinc/16/22/10/996162210.db2.gz BKBMAIIDPFSQPB-ZDUSSCGKSA-N -1 0 344.432 3.550 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(CCC(=O)[O-])CC(=O)OC(C)(C)C ZINC001593712592 996215753 /nfs/dbraw/zinc/21/57/53/996215753.db2.gz DEHGCEHXLRJJIP-LBPRGKRZSA-N -1 0 341.835 3.519 20 0 EHADRM C[C@@H](c1cccnc1)N(C)Cc1cc(C(=O)[O-])ccc1Br ZINC001593719888 996246326 /nfs/dbraw/zinc/24/63/26/996246326.db2.gz VEQCPOIKFXNNOJ-NSHDSACASA-N -1 0 349.228 3.735 20 0 EHADRM C[C@@H](c1nc(C(=O)[O-])co1)[S@](=O)Cc1ccc(Cl)cc1Cl ZINC001593729043 996290724 /nfs/dbraw/zinc/29/07/24/996290724.db2.gz IIRNVQHXLCUKFN-MWAODPMSSA-N -1 0 348.207 3.690 20 0 EHADRM C[C@H](c1nc(C(=O)[O-])co1)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC001593729961 996292744 /nfs/dbraw/zinc/29/27/44/996292744.db2.gz MAIRBOCCMLJLKF-MRVPVSSYSA-N -1 0 341.194 3.799 20 0 EHADRM CC1(C)C(C(=O)NCc2c3ccccc3sc2C(=O)[O-])C1(C)C ZINC001593825839 996569880 /nfs/dbraw/zinc/56/98/80/996569880.db2.gz OATLGNFARJVYPR-UHFFFAOYSA-N -1 0 331.437 3.898 20 0 EHADRM CC1(C)C=Cc2cccc(NCc3ccc(OCC(=O)[O-])cc3)c2O1 ZINC001593843019 996606914 /nfs/dbraw/zinc/60/69/14/996606914.db2.gz ZVPBQPYYDXSSNO-UHFFFAOYSA-N -1 0 339.391 3.946 20 0 EHADRM CC1(C)CC(=O)c2c(OCc3ccc(C(=O)[O-])c(F)c3)cccc2O1 ZINC001593843624 996608933 /nfs/dbraw/zinc/60/89/33/996608933.db2.gz LIILEBJZXDSXRB-UHFFFAOYSA-N -1 0 344.338 3.847 20 0 EHADRM CC1(C)CC(C(=O)NC[C@@H](Cc2cccc3ccccc32)C(=O)[O-])C1 ZINC001593848472 996620189 /nfs/dbraw/zinc/62/01/89/996620189.db2.gz SFFFHJRBAJIWGT-MRXNPFEDSA-N -1 0 339.435 3.636 20 0 EHADRM CC1(C)C[C@H](c2ccccc2)N(C(=O)Nc2ccc(C(=O)[O-])cn2)C1 ZINC001593864361 996665993 /nfs/dbraw/zinc/66/59/93/996665993.db2.gz SXJUALLCQUXROP-OAHLLOKOSA-N -1 0 339.395 3.785 20 0 EHADRM CC1(C)CCC(=CC(=O)N2C[C@@H](C(=O)[O-])Oc3cc(F)ccc32)CC1 ZINC001593871375 996683562 /nfs/dbraw/zinc/68/35/62/996683562.db2.gz SYAUQMJOTSADNN-INIZCTEOSA-N -1 0 347.386 3.531 20 0 EHADRM CC1(C)CCC(C)(NC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)CC1 ZINC001593874447 996690457 /nfs/dbraw/zinc/69/04/57/996690457.db2.gz UNZWCIPQGNMEPP-UHFFFAOYSA-N -1 0 344.415 3.742 20 0 EHADRM CC1(C)CCC[C@@H]1[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC001593897002 996756294 /nfs/dbraw/zinc/75/62/94/996756294.db2.gz HOXKYULMVUZBEL-UKRRQHHQSA-N -1 0 333.403 3.812 20 0 EHADRM CC1(C)CCC[C@H]1[C@@H]1CCN(C(=O)Cc2ccccc2C(=O)[O-])C1 ZINC001593898798 996761668 /nfs/dbraw/zinc/76/16/68/996761668.db2.gz WUKKNGPSYLUECA-WBVHZDCISA-N -1 0 329.440 3.602 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC001599379112 996803404 /nfs/dbraw/zinc/80/34/04/996803404.db2.gz VAKFGKYKPUXWGB-VHDGCEQUSA-N -1 0 332.396 3.905 20 0 EHADRM CC1(C)CCN(C(=O)Nc2ccc(CC(=O)[O-])cc2)CC(C)(C)C1 ZINC001593911560 996804554 /nfs/dbraw/zinc/80/45/54/996804554.db2.gz IYGBYCLVNCHUED-UHFFFAOYSA-N -1 0 332.444 3.994 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC001599379571 996809870 /nfs/dbraw/zinc/80/98/70/996809870.db2.gz LBMNEDFNJUJKQL-CVEARBPZSA-N -1 0 328.364 3.693 20 0 EHADRM COC[C@H](C)NC(=O)Nc1c(-c2ccc(C)cc2)csc1C(=O)[O-] ZINC001599277572 996834021 /nfs/dbraw/zinc/83/40/21/996834021.db2.gz ZGIXIUGCZLAULF-NSHDSACASA-N -1 0 348.424 3.578 20 0 EHADRM COc1ccc(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)c(C)c1 ZINC001599486025 996849846 /nfs/dbraw/zinc/84/98/46/996849846.db2.gz XWXRQSBECNTSGG-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])cc1OC ZINC001599486366 996856755 /nfs/dbraw/zinc/85/67/55/996856755.db2.gz LNNVQDSLFALCMG-UHFFFAOYSA-N -1 0 343.379 3.778 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])c(OC)c1 ZINC001599486393 996857484 /nfs/dbraw/zinc/85/74/84/996857484.db2.gz NJBPSEDEEQGWIG-UHFFFAOYSA-N -1 0 343.379 3.778 20 0 EHADRM COC[C@H](NCc1cc(C(=O)[O-])ccc1Cl)c1cccc(OC)c1 ZINC001599177953 996888179 /nfs/dbraw/zinc/88/81/79/996888179.db2.gz WVQNPDZFYJMXTA-KRWDZBQOSA-N -1 0 349.814 3.524 20 0 EHADRM CC1(C)CN([C@H](C(=O)[O-])c2cccc(Cl)c2)[C@H]1c1ccncc1 ZINC001593940111 996944722 /nfs/dbraw/zinc/94/47/22/996944722.db2.gz FEEUSJNLZGANSR-HOTGVXAUSA-N -1 0 330.815 3.944 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC001599491673 996950742 /nfs/dbraw/zinc/95/07/42/996950742.db2.gz AHOQPIDDZYANPR-UHFFFAOYSA-N -1 0 340.253 3.631 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)c2csc3ccccc23)c1 ZINC001599491819 996953430 /nfs/dbraw/zinc/95/34/30/996953430.db2.gz DSTACEJTPKWPBN-UHFFFAOYSA-N -1 0 328.345 3.827 20 0 EHADRM COCc1cc(NC(=O)N2CCC[C@@H]2CC(C)C)cc(C(=O)[O-])c1 ZINC001599284610 996954354 /nfs/dbraw/zinc/95/43/54/996954354.db2.gz FSYJQKVFYHQCAW-MRXNPFEDSA-N -1 0 334.416 3.574 20 0 EHADRM COCc1cc(NC(=O)N2CCCC[C@H]2C2CCC2)cc(C(=O)[O-])c1 ZINC001599286466 996987928 /nfs/dbraw/zinc/98/79/28/996987928.db2.gz YLSVOTKJMHJNPX-KRWDZBQOSA-N -1 0 346.427 3.718 20 0 EHADRM COc1cc(C(C)=O)ccc1SCC(=O)c1ccc(C(=O)[O-])cc1 ZINC001599388991 996997603 /nfs/dbraw/zinc/99/76/03/996997603.db2.gz UXDCSWWRVNKRPA-UHFFFAOYSA-N -1 0 344.388 3.571 20 0 EHADRM COCc1cc(NC(=S)Nc2cccc(C)c2)cc(C(=O)[O-])c1 ZINC001599288467 997021471 /nfs/dbraw/zinc/02/14/71/997021471.db2.gz WCYNTTYAAOVQKB-UHFFFAOYSA-N -1 0 330.409 3.649 20 0 EHADRM COCc1cc(NC(=O)c2c(C)cc(F)cc2C)cc(C(=O)[O-])c1 ZINC001599288584 997024876 /nfs/dbraw/zinc/02/48/76/997024876.db2.gz IXTJPZDZOKVWHU-UHFFFAOYSA-N -1 0 331.343 3.539 20 0 EHADRM COCc1cc(NC[C@H]2CCOc3ccccc32)cc(C(=O)[O-])c1 ZINC001599289596 997041023 /nfs/dbraw/zinc/04/10/23/997041023.db2.gz IQWSCGPWMOVJFI-CQSZACIVSA-N -1 0 327.380 3.509 20 0 EHADRM COCc1cc(NCc2ccc(OC(F)F)cc2)cc(C(=O)[O-])c1 ZINC001599289739 997043590 /nfs/dbraw/zinc/04/35/90/997043590.db2.gz MFKAQHLKBHYPAM-UHFFFAOYSA-N -1 0 337.322 3.745 20 0 EHADRM COc1cc(C)ccc1CNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001599393940 997089726 /nfs/dbraw/zinc/08/97/26/997089726.db2.gz XYZXIDOZWVGMLD-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM COc1cc(C=C(C(=O)[O-])c2ccc3cc[nH]c3n2)ccc1SC ZINC001599396967 997144066 /nfs/dbraw/zinc/14/40/66/997144066.db2.gz DUXJQOHCKKLSJQ-UKTHLTGXSA-N -1 0 340.404 3.919 20 0 EHADRM COC1(CCOc2ccn(Cc3ccccc3)c2C(=O)[O-])CCC1 ZINC001599089595 997166243 /nfs/dbraw/zinc/16/62/43/997166243.db2.gz ZJILZUKRSMSNFH-UHFFFAOYSA-N -1 0 329.396 3.573 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)C1(C)C(C)(C)C1(C)C ZINC001599398893 997179341 /nfs/dbraw/zinc/17/93/41/997179341.db2.gz JOKVNSFURXRPHL-CSKARUKUSA-N -1 0 332.396 3.771 20 0 EHADRM COC1(CNc2cc(C(F)(F)F)c(C(=O)[O-])cn2)CCCCC1 ZINC001599090697 997187429 /nfs/dbraw/zinc/18/74/29/997187429.db2.gz LHMDVCPNKYOOOK-UHFFFAOYSA-N -1 0 332.322 3.560 20 0 EHADRM CC1(C)[C@H](C(=O)N[C@H](CC(=O)[O-])C2CCCC2)[C@H]1c1ccccc1 ZINC001593987059 997224359 /nfs/dbraw/zinc/22/43/59/997224359.db2.gz CJPXRYHUMWCBRV-NXHRZFHOSA-N -1 0 329.440 3.576 20 0 EHADRM COc1ccc([C@@H](C)CN2CCCc3c(C(=O)[O-])cccc32)cc1 ZINC001599507437 997234811 /nfs/dbraw/zinc/23/48/11/997234811.db2.gz NDZXSKIIJCFWOE-AWEZNQCLSA-N -1 0 325.408 3.950 20 0 EHADRM COc1ccc([C@@H](C)SCC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC001599508646 997256233 /nfs/dbraw/zinc/25/62/33/997256233.db2.gz SYOVQQFDLNSYQQ-GFCCVEGCSA-N -1 0 345.420 3.826 20 0 EHADRM COCc1sccc1C(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001599306817 997331416 /nfs/dbraw/zinc/33/14/16/997331416.db2.gz CJWACVHTPMBYAV-UHFFFAOYSA-N -1 0 325.411 3.523 20 0 EHADRM COC1CCC(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2Cl)CC1 ZINC001599100126 997366014 /nfs/dbraw/zinc/36/60/14/997366014.db2.gz XQHFJESFHHCVQU-UHFFFAOYSA-N -1 0 346.210 3.835 20 0 EHADRM COc1cc(CNC(=O)CC(C2CCC2)C2CCC2)ccc1C(=O)[O-] ZINC001599408999 997384842 /nfs/dbraw/zinc/38/48/42/997384842.db2.gz KJAVRZQKAPNPIL-UHFFFAOYSA-N -1 0 345.439 3.616 20 0 EHADRM CON(C(=O)c1sc2cccc(C)c2c1Cl)[C@@H](C)CC(=O)[O-] ZINC001599312363 997438699 /nfs/dbraw/zinc/43/86/99/997438699.db2.gz CZKKRKUFCDUFER-VIFPVBQESA-N -1 0 341.816 3.730 20 0 EHADRM COc1cc(CNC(=O)c2cc3sccc3s2)ccc1C(=O)[O-] ZINC001599414070 997474097 /nfs/dbraw/zinc/47/40/97/997474097.db2.gz DCFWZFADFDMSLM-UHFFFAOYSA-N -1 0 347.417 3.600 20 0 EHADRM C[C@]1(CNC(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)CCCCO1 ZINC001594020272 997527027 /nfs/dbraw/zinc/52/70/27/997527027.db2.gz LIJFSTBBJVCSKV-LJQANCHMSA-N -1 0 342.395 3.619 20 0 EHADRM CON(Cc1cc(C(=O)[O-])sc1C)Cc1ccccc1Cl ZINC001599318981 997547902 /nfs/dbraw/zinc/54/79/02/997547902.db2.gz XZPPVUQLADGZMH-UHFFFAOYSA-N -1 0 325.817 3.972 20 0 EHADRM CO[C@H]1CCC[C@@H](CC(=O)OCc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC001599111852 997584388 /nfs/dbraw/zinc/58/43/88/997584388.db2.gz GQXPUFOCFJCDSE-YPMHNXCESA-N -1 0 340.803 3.677 20 0 EHADRM CO[C@@H]1CCC[C@@H](CC(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC001599114156 997623266 /nfs/dbraw/zinc/62/32/66/997623266.db2.gz XILYLQRGJGFBEL-DJSGYFEHSA-N -1 0 340.803 3.604 20 0 EHADRM COc1ccc([C@H](NCc2cc(C(C)(C)C)oc2C)C(=O)[O-])cc1O ZINC001599530354 997639155 /nfs/dbraw/zinc/63/91/55/997639155.db2.gz CCCMKBWWQXBRLL-KRWDZBQOSA-N -1 0 347.411 3.515 20 0 EHADRM COc1cc(F)c(N[C@@H](C)c2cc(C(=O)[O-])cs2)cc1OC ZINC001599424651 997653072 /nfs/dbraw/zinc/65/30/72/997653072.db2.gz XBXWULCXSRIVCA-QMMMGPOBSA-N -1 0 325.361 3.776 20 0 EHADRM C[C@@]1(Cc2ccccc2F)CCCN1C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001594041219 997656140 /nfs/dbraw/zinc/65/61/40/997656140.db2.gz CBDVEMMEQHFFCC-YRNRMSPPSA-N -1 0 347.430 3.640 20 0 EHADRM COc1ccc([C@H](Nc2cc(C(=O)[O-])ccn2)c2ccccc2)cc1 ZINC001599531703 997665607 /nfs/dbraw/zinc/66/56/07/997665607.db2.gz JPCMOPGJMLJAAL-LJQANCHMSA-N -1 0 334.375 3.990 20 0 EHADRM COc1ccc([C@H](OC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)C2CC2)c(C)c1 ZINC001599534632 997720498 /nfs/dbraw/zinc/72/04/98/997720498.db2.gz RTVQHKVMUVCNRS-RLFYNMQTSA-N -1 0 346.423 3.889 20 0 EHADRM COC(=O)c1cc(CN2c3ccccc3CC2(C)C)cc(C(=O)[O-])c1 ZINC001598930477 997741487 /nfs/dbraw/zinc/74/14/87/997741487.db2.gz QALVSWASLFBFKR-UHFFFAOYSA-N -1 0 339.391 3.513 20 0 EHADRM C[C@]1(NC(=O)Nc2cc(C(=O)[O-])cs2)CCCc2ccccc21 ZINC001594051720 997746647 /nfs/dbraw/zinc/74/66/47/997746647.db2.gz AMAPXGBVIYMHDC-KRWDZBQOSA-N -1 0 330.409 3.820 20 0 EHADRM COc1ccc(C2CC2)c(NC(=O)c2ccc(/C=C/C(=O)[O-])o2)c1 ZINC001599537466 997769761 /nfs/dbraw/zinc/76/97/61/997769761.db2.gz NRYOBQLGKRPQCR-RMKNXTFCSA-N -1 0 327.336 3.516 20 0 EHADRM COc1c(C)cnc(CN(C)[C@H](C(=O)[O-])c2ccccc2Cl)c1C ZINC001599333762 997794597 /nfs/dbraw/zinc/79/45/97/997794597.db2.gz IWMALXRUTRNURQ-INIZCTEOSA-N -1 0 348.830 3.618 20 0 EHADRM COc1ccc([C@H]2CCCN2c2ccc(C)c(C(=O)[O-])n2)cc1F ZINC001599539728 997813630 /nfs/dbraw/zinc/81/36/30/997813630.db2.gz QVBCRMIZJLBNRL-CQSZACIVSA-N -1 0 330.359 3.577 20 0 EHADRM COc1cc(NC(=O)N2CCC[C@@H](CC(C)C)C2)ccc1C(=O)[O-] ZINC001599436217 997851362 /nfs/dbraw/zinc/85/13/62/997851362.db2.gz YHVFJFCFGNBDHZ-ZDUSSCGKSA-N -1 0 334.416 3.683 20 0 EHADRM COc1c(NC(=O)Cc2ccc(C)c(Cl)c2)cccc1C(=O)[O-] ZINC001599337767 997867603 /nfs/dbraw/zinc/86/76/03/997867603.db2.gz BSISZWBVYMMOBI-UHFFFAOYSA-N -1 0 333.771 3.536 20 0 EHADRM CC1(NS(=O)(=O)c2ccc(C(=O)[O-])c3ccccc32)CCCCC1 ZINC001594066173 997879321 /nfs/dbraw/zinc/87/93/21/997879321.db2.gz SMGBVEHENHIGAZ-UHFFFAOYSA-N -1 0 347.436 3.539 20 0 EHADRM COc1cc(NC(=O)NC2CCC(C3CCC3)CC2)ccc1C(=O)[O-] ZINC001599438573 997893546 /nfs/dbraw/zinc/89/35/46/997893546.db2.gz ORXYMTDFYZHSBT-UHFFFAOYSA-N -1 0 346.427 3.874 20 0 EHADRM COc1ccc(/C=C\C(=O)Nc2cc(F)cc(Cl)c2C(=O)[O-])cc1 ZINC001599545609 997917701 /nfs/dbraw/zinc/91/77/01/997917701.db2.gz ZTALRQUVPWXAIW-DAXSKMNVSA-N -1 0 349.745 3.838 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OCc1cccc2ncccc12 ZINC001599546060 997924467 /nfs/dbraw/zinc/92/44/67/997924467.db2.gz KUGASSFCXMGSPQ-NTMALXAHSA-N -1 0 335.359 3.920 20 0 EHADRM COCCN(CC(C)C)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001599234835 997927015 /nfs/dbraw/zinc/92/70/15/997927015.db2.gz GQOSWWRXQJRHJL-UHFFFAOYSA-N -1 0 344.411 3.674 20 0 EHADRM COc1cc(N[C@@H](C)c2cncc(C(=O)[O-])c2)cc(OC)c1Cl ZINC001599442592 997954149 /nfs/dbraw/zinc/95/41/49/997954149.db2.gz FHMHELNYVQKAQN-VIFPVBQESA-N -1 0 336.775 3.624 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1cc2ccsc2[nH]1 ZINC001599547941 997956471 /nfs/dbraw/zinc/95/64/71/997956471.db2.gz ZXJXLMDPUWEBFA-HWKANZROSA-N -1 0 343.360 3.555 20 0 EHADRM COc1cc(NCc2cccc(C(=O)[O-])n2)c(C2CC2)cc1Cl ZINC001599443589 997970424 /nfs/dbraw/zinc/97/04/24/997970424.db2.gz JSUVJLDTGMEDAT-UHFFFAOYSA-N -1 0 332.787 3.931 20 0 EHADRM COc1cc(NCc2cc(C)c(OCC(=O)[O-])c(C)c2)ccc1F ZINC001599443577 997970496 /nfs/dbraw/zinc/97/04/96/997970496.db2.gz JIDDEBSDHNQQCR-UHFFFAOYSA-N -1 0 333.359 3.527 20 0 EHADRM COc1cc(NCc2cc(C)c(C(=O)[O-])[nH]2)ccc1C(F)(F)F ZINC001599444111 997979512 /nfs/dbraw/zinc/97/95/12/997979512.db2.gz WFPFKPYEJWOSFQ-UHFFFAOYSA-N -1 0 328.290 3.661 20 0 EHADRM COc1ccc(C[C@H](C)C(=O)Oc2cc(C(=O)[O-])cc(F)c2C)cc1 ZINC001599550217 997994160 /nfs/dbraw/zinc/99/41/60/997994160.db2.gz KVLMTYQBGDDMLA-NSHDSACASA-N -1 0 346.354 3.625 20 0 EHADRM Cc1ccc(N2C(=O)N[C@@H](c3cccc(C)c3)C(C(=O)[O-])=C2C)cc1 ZINC001594098636 998084316 /nfs/dbraw/zinc/08/43/16/998084316.db2.gz XETNBPKVNWLTDF-SFHVURJKSA-N -1 0 336.391 3.933 20 0 EHADRM COc1cc(OC)cc([C@@H](Sc2nc3ccccc3o2)C(=O)[O-])c1 ZINC001599451563 998111244 /nfs/dbraw/zinc/11/12/44/998111244.db2.gz KYQQMKLMVVKCFE-OAHLLOKOSA-N -1 0 345.376 3.763 20 0 EHADRM CC1=C(C)C[C@H](C(=O)N[C@@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC001594110036 998202508 /nfs/dbraw/zinc/20/25/08/998202508.db2.gz OUNWBLRPOAIFJW-CGTJXYLNSA-N -1 0 329.440 3.571 20 0 EHADRM COc1cc(OCc2cc(F)ccc2OC(F)F)ccc1C(=O)[O-] ZINC001599457073 998205832 /nfs/dbraw/zinc/20/58/32/998205832.db2.gz VCZCFKRIOGJFBE-UHFFFAOYSA-N -1 0 342.269 3.713 20 0 EHADRM C[C@@H]1[C@@H](C(=O)N2CCCc3ccc(C(=O)[O-])cc32)[C@@H]1c1ccccc1 ZINC001594136732 998381286 /nfs/dbraw/zinc/38/12/86/998381286.db2.gz RVVLQZRQTKCQHA-FASAQXTFSA-N -1 0 335.403 3.714 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001594137098 998386609 /nfs/dbraw/zinc/38/66/09/998386609.db2.gz VMTIBYXQACXVEG-CDVCQTBKSA-N -1 0 335.403 3.863 20 0 EHADRM COc1ccc(-c2cnc(CSc3nc(C(=O)[O-])cs3)o2)cc1 ZINC001599468778 998412371 /nfs/dbraw/zinc/41/23/71/998412371.db2.gz AHMGJHPUIZBFRA-UHFFFAOYSA-N -1 0 348.405 3.797 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)NC(C)(C)c1cccs1 ZINC001599372432 998432444 /nfs/dbraw/zinc/43/24/44/998432444.db2.gz IKTAIEHEQOXOSW-UHFFFAOYSA-N -1 0 334.397 3.512 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1csc(C(F)(F)F)c1 ZINC001599375490 998478268 /nfs/dbraw/zinc/47/82/68/998478268.db2.gz MCJCFQYNHQUFNN-UHFFFAOYSA-N -1 0 345.298 3.726 20 0 EHADRM COc1ccc(-n2ccnc2SCc2cccc(C(=O)[O-])c2)cc1 ZINC001599474275 998502505 /nfs/dbraw/zinc/50/25/05/998502505.db2.gz JGKNSRRRIAMQKW-UHFFFAOYSA-N -1 0 340.404 3.871 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCC(=O)c1ccc2c(c1)CCCC2 ZINC001599377804 998516704 /nfs/dbraw/zinc/51/67/04/998516704.db2.gz AZJJQCUKFQNPQJ-UHFFFAOYSA-N -1 0 340.375 3.534 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)c1csc2c1CC[C@@H](C)C2 ZINC001599378032 998521076 /nfs/dbraw/zinc/52/10/76/998521076.db2.gz GXWFANUJRSEHNN-SNVBAGLBSA-N -1 0 346.404 3.799 20 0 EHADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)Nc1ccc2c(c1)C(C)(C)CC2(C)C ZINC001594155513 998560869 /nfs/dbraw/zinc/56/08/69/998560869.db2.gz BITHQZTUDGJGBB-JSGCOSHPSA-N -1 0 344.455 3.972 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)Nc1ccc(SC(C)(C)C)cc1 ZINC001594157598 998578121 /nfs/dbraw/zinc/57/81/21/998578121.db2.gz VDEGKISLPOQUOE-BXUZGUMPSA-N -1 0 336.457 3.904 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)[C@@H]1CCCC[C@H]1c1cccc(Cl)c1 ZINC001594157785 998578875 /nfs/dbraw/zinc/57/88/75/998578875.db2.gz XPPKFPPCFQAUBG-VDNDLQMASA-N -1 0 349.858 3.935 20 0 EHADRM C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC001594172867 998663667 /nfs/dbraw/zinc/66/36/67/998663667.db2.gz IILVXFSSIOWSGF-KCJUWKMLSA-N -1 0 348.296 3.719 20 0 EHADRM COC(=O)c1ccc2nc(S[C@@H](CC(C)(C)C)C(=O)[O-])oc2c1 ZINC001598991272 998740261 /nfs/dbraw/zinc/74/02/61/998740261.db2.gz HTQPHGVUBVBKPU-LBPRGKRZSA-N -1 0 337.397 3.596 20 0 EHADRM CCCOc1cccc(CCNC(=O)c2cccc(Cl)c2[O-])c1 ZINC001266396648 1016249687 /nfs/dbraw/zinc/24/96/87/1016249687.db2.gz JJZGNUMGYXWYMY-UHFFFAOYSA-N -1 0 333.815 3.807 20 0 EHADRM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1C(=O)c1cc2cc(Cl)ccc2o1 ZINC001594205413 998788449 /nfs/dbraw/zinc/78/84/49/998788449.db2.gz CRSBOZWWDPKQHP-UWVGGRQHSA-N -1 0 335.787 3.800 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1C(=O)c1ccc(Oc2ccccc2)o1 ZINC001594205927 998791895 /nfs/dbraw/zinc/79/18/95/998791895.db2.gz MOVMFAREIPGVEC-BTTYYORXSA-N -1 0 343.379 3.786 20 0 EHADRM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1C(=O)C[C@@H]1CCCc2ccccc21 ZINC001594205939 998791953 /nfs/dbraw/zinc/79/19/53/998791953.db2.gz MTIGTTPWZAZOEE-FMKPAKJESA-N -1 0 329.440 3.597 20 0 EHADRM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001594206630 998794810 /nfs/dbraw/zinc/79/48/10/998794810.db2.gz RRJAVRUXZJBZFC-GAIPPQHRSA-N -1 0 341.860 3.605 20 0 EHADRM COC(=O)c1ccccc1CS[C@@H](C(=O)[O-])c1ccccc1F ZINC001599001970 998827356 /nfs/dbraw/zinc/82/73/56/998827356.db2.gz AQEAWYQWPXWUIS-OAHLLOKOSA-N -1 0 334.368 3.671 20 0 EHADRM C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC001594216638 998832946 /nfs/dbraw/zinc/83/29/46/998832946.db2.gz WQPXTWBKPJIMPN-BDAKNGLRSA-N -1 0 348.296 3.719 20 0 EHADRM C[C@H]1CC(C)(C)c2cccc(NC(=O)N[C@@H]3CC=C(C(=O)[O-])C3)c21 ZINC001594216853 998834484 /nfs/dbraw/zinc/83/44/84/998834484.db2.gz JWLNBLYDDBDIID-WCQYABFASA-N -1 0 328.412 3.766 20 0 EHADRM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001594217528 998838378 /nfs/dbraw/zinc/83/83/78/998838378.db2.gz UWGXOWPOFQFKRR-KBRIMQKVSA-N -1 0 344.455 3.595 20 0 EHADRM C[C@H]1C[C@H](CNC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)C[C@@H](C)C1 ZINC001594222287 998856437 /nfs/dbraw/zinc/85/64/37/998856437.db2.gz COBSRQRHSXNANZ-ITGUQSILSA-N -1 0 336.407 3.647 20 0 EHADRM C[C@H]1C[C@H](CC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC(C)(C)C1 ZINC001594231483 998879762 /nfs/dbraw/zinc/87/97/62/998879762.db2.gz BUQQCLOAOIXRPW-NWDGAFQWSA-N -1 0 337.382 3.705 20 0 EHADRM O=C([O-])C1CC(C(=O)Nc2ccc(F)cc2Nc2ccccc2F)C1 ZINC000683338544 1016259692 /nfs/dbraw/zinc/25/96/92/1016259692.db2.gz AJYSGWBAUPTKBS-UHFFFAOYSA-N -1 0 346.333 3.758 20 0 EHADRM C[C@@H]1C[C@H](CC(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)CC(C)(C)C1 ZINC001594232550 998886194 /nfs/dbraw/zinc/88/61/94/998886194.db2.gz MOQLLHUXVXXAKG-CKEIUWERSA-N -1 0 349.446 3.963 20 0 EHADRM C[C@@H]1C[C@H](CCNC(=O)N2CCC(CC(=O)[O-])CC2)CC(C)(C)C1 ZINC001594233749 998891211 /nfs/dbraw/zinc/89/12/11/998891211.db2.gz ZWTNJTUXJYCEMZ-ZBFHGGJFSA-N -1 0 338.492 3.735 20 0 EHADRM C[C@@H]1C[C@H](CCNC(=O)c2cccc(CC(=O)[O-])c2)CC(C)(C)C1 ZINC001594236809 998902678 /nfs/dbraw/zinc/90/26/78/998902678.db2.gz SKTYFJBUVDIUJE-ZBFHGGJFSA-N -1 0 331.456 3.896 20 0 EHADRM C[C@@H]1C[C@H](NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C[C@@H](c2ccccc2)C1 ZINC001594259425 998998907 /nfs/dbraw/zinc/99/89/07/998998907.db2.gz FQOISQRVRHZSHV-GBBGEASQSA-N -1 0 343.467 3.966 20 0 EHADRM COC(C)(C)[C@@H](C)NC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001599031407 999052922 /nfs/dbraw/zinc/05/29/22/999052922.db2.gz LXDOBWUGZKJIEW-CYBMUJFWSA-N -1 0 341.407 3.595 20 0 EHADRM COC(C)(C)C[C@H](C)NC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001599033021 999064895 /nfs/dbraw/zinc/06/48/95/999064895.db2.gz KERCKRDCVXBVET-QMMMGPOBSA-N -1 0 346.786 3.502 20 0 EHADRM C[C@H]1CC[C@H](C(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)C1 ZINC001594291025 999121252 /nfs/dbraw/zinc/12/12/52/999121252.db2.gz CFBMLLYYXFAWNM-YOEHRIQHSA-N -1 0 329.440 3.602 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001594291975 999126219 /nfs/dbraw/zinc/12/62/19/999126219.db2.gz INNARQBXJRFPRE-GBIKHYSHSA-N -1 0 337.807 3.618 20 0 EHADRM CO[C@H](C)c1nc(CNc2cccc(C(=O)[O-])c2Cl)cs1 ZINC001599043457 999134556 /nfs/dbraw/zinc/13/45/56/999134556.db2.gz VEZQUJVDYMQHMF-MRVPVSSYSA-N -1 0 326.805 3.814 20 0 EHADRM C[C@@H]1CC[C@](C)(/C=C\C(=O)NC(C)(C)c2cc(C(=O)[O-])on2)C1(C)C ZINC001594295577 999137598 /nfs/dbraw/zinc/13/75/98/999137598.db2.gz DDTODLPBVFGYGH-IJUCUGQKSA-N -1 0 348.443 3.743 20 0 EHADRM CO[C@H](CC(C)C)C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC001599044852 999143368 /nfs/dbraw/zinc/14/33/68/999143368.db2.gz DZQUOHVZCGFCQM-GFCCVEGCSA-N -1 0 339.457 3.715 20 0 EHADRM C[C@H]1CC[C@](NC(=O)CCCC(F)(F)F)(C(=O)[O-])c2ccccc21 ZINC001594312869 999202196 /nfs/dbraw/zinc/20/21/96/999202196.db2.gz DXKKRJVWAVZBLO-MEDUHNTESA-N -1 0 343.345 3.713 20 0 EHADRM C[C@@H]1CC[C@](NC(=O)C[C@@H]2CC=CCC2)(C(=O)[O-])c2ccccc21 ZINC001594314353 999216277 /nfs/dbraw/zinc/21/62/77/999216277.db2.gz PZEMXKHLBRAKTL-STXHMFSFSA-N -1 0 327.424 3.726 20 0 EHADRM CO[C@H](COC(=O)c1ccc(C(=O)[O-])s1)c1ccc(Cl)cc1 ZINC001599055263 999225228 /nfs/dbraw/zinc/22/52/28/999225228.db2.gz CWOVORRXFVKRQC-LLVKDONJSA-N -1 0 340.784 3.644 20 0 EHADRM C[C@@H]1CC[C@]([NH2+]Cc2cncc(Cl)c2)(C(=O)[O-])c2ccccc21 ZINC001594319492 999228149 /nfs/dbraw/zinc/22/81/49/999228149.db2.gz FCWBWIXHOKBCGW-KZULUSFZSA-N -1 0 330.815 3.702 20 0 EHADRM C[C@H]1CC[C@](NC(=O)C2CCC=CCC2)(C(=O)[O-])c2ccccc21 ZINC001594321160 999233783 /nfs/dbraw/zinc/23/37/83/999233783.db2.gz NOTLJHAPIWYBCR-VBKZILBWSA-N -1 0 327.424 3.726 20 0 EHADRM C[C@@H]1CC[C@](NC(=O)c2ccc3c(c2)CCC3)(C(=O)[O-])c2ccccc21 ZINC001594321424 999235495 /nfs/dbraw/zinc/23/54/95/999235495.db2.gz DFKCRSIQIPMROC-JLCFBVMHSA-N -1 0 349.430 3.783 20 0 EHADRM C[C@H]1CC[C@@](NCc2cnc(Cl)s2)(C(=O)[O-])c2ccccc21 ZINC001594321700 999237445 /nfs/dbraw/zinc/23/74/45/999237445.db2.gz VJQUVOBNSXRGKJ-QFYYESIMSA-N -1 0 336.844 3.764 20 0 EHADRM C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C1 ZINC001594330900 999271980 /nfs/dbraw/zinc/27/19/80/999271980.db2.gz ZXCBUJYYXODSOM-OWLYRPNTSA-N -1 0 329.440 3.877 20 0 EHADRM COC1(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)CCCCCC1 ZINC001599063309 999281567 /nfs/dbraw/zinc/28/15/67/999281567.db2.gz GVWIFCHROABRDN-UHFFFAOYSA-N -1 0 325.792 3.716 20 0 EHADRM CO[C@@H](c1ccccc1Cl)[C@H](C)Nc1cc(CC(=O)[O-])ccn1 ZINC001599064291 999288164 /nfs/dbraw/zinc/28/81/64/999288164.db2.gz VUHUWJHWCSWQOF-APPDUMDISA-N -1 0 334.803 3.550 20 0 EHADRM C[C@@H]1CCC[C@@H](NC(=O)CSCc2ccccc2C(=O)[O-])[C@@H]1C ZINC001594351190 999332426 /nfs/dbraw/zinc/33/24/26/999332426.db2.gz XGSHINCKVFENEN-XJKCOSOUSA-N -1 0 335.469 3.559 20 0 EHADRM C[C@@H]1CCC[C@H](OCCCCCC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1 ZINC001594354267 999338469 /nfs/dbraw/zinc/33/84/69/999338469.db2.gz BHUZRFYRTAYINC-HLLBOEOZSA-N -1 0 341.492 3.758 20 0 EHADRM C[C@H](NC(=O)N1CCc2c(cccc2C(=O)[O-])C1)[C@@H]1CCC[C@H](C)C1 ZINC001594355479 999341648 /nfs/dbraw/zinc/34/16/48/999341648.db2.gz KXSUTDQGIHVYSM-SOUVJXGZSA-N -1 0 344.455 3.667 20 0 EHADRM C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)NCCCC(=O)[O-])c2)C1 ZINC001594356175 999344228 /nfs/dbraw/zinc/34/42/28/999344228.db2.gz SPOKKKVGLRBNDJ-PBHICJAKSA-N -1 0 348.443 3.768 20 0 EHADRM C[C@H](NC(=O)N1CCc2cc(C(=O)[O-])ccc2C1)[C@@H]1CCC[C@@H](C)C1 ZINC001594356349 999346124 /nfs/dbraw/zinc/34/61/24/999346124.db2.gz VFOBPEBKXPMQTH-QLFBSQMISA-N -1 0 344.455 3.667 20 0 EHADRM C[C@@H]1CCC[C@@H]1CNC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001594360423 999362827 /nfs/dbraw/zinc/36/28/27/999362827.db2.gz UROQEQSOGKKWSR-UKRRQHHQSA-N -1 0 345.443 3.543 20 0 EHADRM C[C@H]1CCCC[C@H]1OCCNc1ncc(C(=O)[O-])cc1C(F)(F)F ZINC001594371473 999400830 /nfs/dbraw/zinc/40/08/30/999400830.db2.gz APJQRVBGOXTYGD-GXFFZTMASA-N -1 0 346.349 3.806 20 0 EHADRM C[C@@H]1CCN(C(=O)/C=C/c2cc(C(=O)[O-])co2)c2ccccc2S1 ZINC001594396384 999493805 /nfs/dbraw/zinc/49/38/05/999493805.db2.gz LHKICSDRGKJAEC-NNNHXZLVSA-N -1 0 343.404 3.909 20 0 EHADRM C[C@@H]1CCc2ccccc2N1CCNc1ncc(C(=O)[O-])cc1Cl ZINC001594445674 999638313 /nfs/dbraw/zinc/63/83/13/999638313.db2.gz PEQBLMXEGKMXTR-GFCCVEGCSA-N -1 0 345.830 3.686 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)N3CCc4c3cccc4C(=O)[O-])cc2C1 ZINC001594450092 999646529 /nfs/dbraw/zinc/64/65/29/999646529.db2.gz AYDNKMODSUKOGL-LLVKDONJSA-N -1 0 341.432 3.774 20 0 EHADRM C[C@@H]1CN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)c2ccccc2S1 ZINC001594466930 999692115 /nfs/dbraw/zinc/69/21/15/999692115.db2.gz UPQQUEAPGDYTQA-GXMKHXEJSA-N -1 0 329.377 3.518 20 0 EHADRM Cc1nc(C(C)C)ccc1C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000340116498 1016343875 /nfs/dbraw/zinc/34/38/75/1016343875.db2.gz GFVVBZMWMVFBAV-UHFFFAOYSA-N -1 0 344.465 3.768 20 0 EHADRM CC(C)=CCC[C@H](C)CC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000648270058 1016375158 /nfs/dbraw/zinc/37/51/58/1016375158.db2.gz SFDCQZYGQKQOEP-ZDUSSCGKSA-N -1 0 329.400 3.741 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655578516 1016409790 /nfs/dbraw/zinc/40/97/90/1016409790.db2.gz BIVPWSBSAGBANY-IDCJVQTKSA-N -1 0 345.483 3.994 20 0 EHADRM C[C@H](NC(=O)C[C@@H]1CCCc2ccccc21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655580329 1016441094 /nfs/dbraw/zinc/44/10/94/1016441094.db2.gz LMOLVSXMVDRYJI-QXRTWZOPSA-N -1 0 343.467 3.748 20 0 EHADRM Cc1nn(C)cc1C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000127716408 1016446183 /nfs/dbraw/zinc/44/61/83/1016446183.db2.gz JNSRUBRFYUFFJC-UHFFFAOYSA-N -1 0 334.590 3.647 20 0 EHADRM Cc1cc2cc(C(=O)N[C@@H](C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)oc2cc1C ZINC000655579762 1016459283 /nfs/dbraw/zinc/45/92/83/1016459283.db2.gz YFCGCRNPNZJTMA-AEGPPILISA-N -1 0 343.423 3.915 20 0 EHADRM O=S(=O)(Cc1ccc(F)cc1)[N-]C1(C(F)(F)F)CCCCC1 ZINC000510220579 1016493731 /nfs/dbraw/zinc/49/37/31/1016493731.db2.gz LRWYQJBRMZMLNX-UHFFFAOYSA-N -1 0 339.354 3.510 20 0 EHADRM O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@H](O)c2ccc3ccccc3c2)c1 ZINC000067427829 1016548678 /nfs/dbraw/zinc/54/86/78/1016548678.db2.gz CZKCCJCJOOZAND-ATASCALFSA-N -1 0 336.347 3.606 20 0 EHADRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1F ZINC000166101253 1016580017 /nfs/dbraw/zinc/58/00/17/1016580017.db2.gz ZLYZDMYQLSMKDW-UHFFFAOYSA-N -1 0 344.220 3.711 20 0 EHADRM O=c1nc(CSCc2ccc3c(c2)OCO3)[n-]c2ccsc21 ZINC000340203914 1016693125 /nfs/dbraw/zinc/69/31/25/1016693125.db2.gz ZDGLATCCYYYGTP-UHFFFAOYSA-N -1 0 332.406 3.559 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cnn(C(C)(C)C)c2)c(Cl)cc1F ZINC000121059966 1016750574 /nfs/dbraw/zinc/75/05/74/1016750574.db2.gz MQVJIYLGKXGTFL-UHFFFAOYSA-N -1 0 345.827 3.540 20 0 EHADRM O=C(Nc1cc(Cl)cc(Br)c1[O-])c1cccc(O)c1 ZINC000182939870 1032150800 /nfs/dbraw/zinc/15/08/00/1032150800.db2.gz NAYJTFOBSMUJRH-UHFFFAOYSA-N -1 0 342.576 3.766 20 0 EHADRM CC(C(=O)N(Cc1ccccc1)C(C)C)=S([O-])c1cccs1 ZINC000179016623 1016839551 /nfs/dbraw/zinc/83/95/51/1016839551.db2.gz XNMGLUHQZGMWSH-PEBXRYMYSA-N -1 0 335.494 3.681 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCN(CC2CC2)c2ccccc21 ZINC000180108340 1016894432 /nfs/dbraw/zinc/89/44/32/1016894432.db2.gz UDCHMZPBVMFDNB-UHFFFAOYSA-N -1 0 344.361 3.547 20 0 EHADRM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)CC1(CC(=O)[O-])CCCCC1 ZINC000237376845 1016984271 /nfs/dbraw/zinc/98/42/71/1016984271.db2.gz RPJUNIVPZIILAF-AUUYWEPGSA-N -1 0 329.440 3.851 20 0 EHADRM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)NCCCCCC(=O)[O-] ZINC000414604417 1016998515 /nfs/dbraw/zinc/99/85/15/1016998515.db2.gz ARPWIZWRMQUDLJ-GOSISDBHSA-N -1 0 334.460 3.979 20 0 EHADRM CCN(C(=O)c1ccc(CSc2ccccc2)cc1)[C@@H](C)C(=O)[O-] ZINC000659777312 1017009513 /nfs/dbraw/zinc/00/95/13/1017009513.db2.gz YATANJIXXQUMLF-AWEZNQCLSA-N -1 0 343.448 3.914 20 0 EHADRM CCC[C@@H](C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655586325 1017017835 /nfs/dbraw/zinc/01/78/35/1017017835.db2.gz QTDHKWXNWOKTDO-MXASKKJJSA-N -1 0 331.456 3.822 20 0 EHADRM CCN(Cc1c(F)cccc1F)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000183535572 1032178304 /nfs/dbraw/zinc/17/83/04/1032178304.db2.gz OTAQAVQFIVVEDB-UHFFFAOYSA-N -1 0 345.267 3.750 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000184019435 1032225944 /nfs/dbraw/zinc/22/59/44/1032225944.db2.gz SYBUFDLVEFQUEO-SECBINFHSA-N -1 0 339.288 3.578 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)[C@H]1CCCC[C@H]1C(F)(F)F)C(=O)[O-] ZINC000449133539 1032227542 /nfs/dbraw/zinc/22/75/42/1032227542.db2.gz DPKAFEKLLPLXJC-TUAOUCFPSA-N -1 0 337.382 3.751 20 0 EHADRM COc1c(C)cc(S(=O)(=O)[N-]c2nccc3sccc32)cc1C ZINC000461144746 1032290801 /nfs/dbraw/zinc/29/08/01/1032290801.db2.gz NGAVIMVTGQKHAV-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM CC(C)c1ncc(C(=O)Nc2ccc(-c3cc(=O)[nH][nH]3)cc2)s1 ZINC000448453800 1032315046 /nfs/dbraw/zinc/31/50/46/1032315046.db2.gz CKHXQXCLTILQRA-UHFFFAOYSA-N -1 0 328.397 3.615 20 0 EHADRM Cc1ccc(C(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)s1 ZINC000262954077 1032315510 /nfs/dbraw/zinc/31/55/10/1032315510.db2.gz IRAJWYBQPDLYEV-UHFFFAOYSA-N -1 0 343.448 3.850 20 0 EHADRM Cc1cc(Cl)cnc1NS(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000461209134 1032320421 /nfs/dbraw/zinc/32/04/21/1032320421.db2.gz MEAGWYSSGZMODV-UHFFFAOYSA-N -1 0 349.214 3.778 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc3c(cn2)CCCC3)c1 ZINC000461211208 1032321316 /nfs/dbraw/zinc/32/13/16/1032321316.db2.gz TYVFTEBMLCWWNU-UHFFFAOYSA-N -1 0 336.844 3.723 20 0 EHADRM C[C@@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccccc1C(F)(F)F ZINC000905112262 1032347726 /nfs/dbraw/zinc/34/77/26/1032347726.db2.gz QBMAQAZQQKWPSR-UTUOFQBUSA-N -1 0 343.345 3.774 20 0 EHADRM CC(C)c1nnc([N-]C(=O)c2cc(-c3ccccc3F)on2)s1 ZINC000030040073 1032383310 /nfs/dbraw/zinc/38/33/10/1032383310.db2.gz UZROCQKWKUYAHB-UHFFFAOYSA-N -1 0 332.360 3.708 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)[C@@H]1CCCc2ccccc21)C1CCCCC1 ZINC000538504948 1032402623 /nfs/dbraw/zinc/40/26/23/1032402623.db2.gz YAUUZZKWBHKEKW-QZTJIDSGSA-N -1 0 329.440 3.646 20 0 EHADRM Cc1cccc(C(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)c1 ZINC000262960747 1032404983 /nfs/dbraw/zinc/40/49/83/1032404983.db2.gz JGASQHVIFKSUPN-UHFFFAOYSA-N -1 0 337.419 3.788 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000536901932 1032415098 /nfs/dbraw/zinc/41/50/98/1032415098.db2.gz YQHVTSVLEORYFN-UHFFFAOYSA-N -1 0 325.455 3.955 20 0 EHADRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1C(F)(F)F ZINC000033887092 1032427547 /nfs/dbraw/zinc/42/75/47/1032427547.db2.gz DXZBTKKORNKAJK-UHFFFAOYSA-N -1 0 333.306 3.954 20 0 EHADRM O=S(=O)(N[C@@H](c1ccccc1)C1CC1)c1cccc(Cl)c1F ZINC000032410591 1032429175 /nfs/dbraw/zinc/42/91/75/1032429175.db2.gz POWGHEDJNOFGSK-INIZCTEOSA-N -1 0 339.819 3.909 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1ccnn1Cc1cccc(F)c1 ZINC001211618501 1032447750 /nfs/dbraw/zinc/44/77/50/1032447750.db2.gz BTQOJGVYTQDTMZ-UHFFFAOYSA-N -1 0 325.343 3.821 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1 ZINC000584412189 1032469424 /nfs/dbraw/zinc/46/94/24/1032469424.db2.gz WYYHJWLQYJCEIF-PBHICJAKSA-N -1 0 348.443 3.686 20 0 EHADRM CC[C@@H]1C[C@]1(NC(=O)NC1CCC(C(=O)[O-])CC1)c1cccc(C)c1 ZINC000414633457 1017096350 /nfs/dbraw/zinc/09/63/50/1017096350.db2.gz ZLSMOKBAUYYQLY-ZFZVPDIOSA-N -1 0 344.455 3.563 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])C[C@H]1O ZINC000089403372 1032528286 /nfs/dbraw/zinc/52/82/86/1032528286.db2.gz XYQDHAZSODWSFX-SJKOYZFVSA-N -1 0 345.826 3.556 20 0 EHADRM COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cccc(C)c1Cl ZINC000537194761 1032553778 /nfs/dbraw/zinc/55/37/78/1032553778.db2.gz GYIKLBGPDNSQEK-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)c1Cl ZINC000537196167 1032555112 /nfs/dbraw/zinc/55/51/12/1032555112.db2.gz XMPHCFOYNNQGMT-UHFFFAOYSA-N -1 0 337.828 3.774 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])c1C ZINC000601990006 1032583780 /nfs/dbraw/zinc/58/37/80/1032583780.db2.gz FULWOZGLNGTOAA-YCPHGPKFSA-N -1 0 335.469 3.562 20 0 EHADRM CSCCc1ccccc1NC(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC000601999909 1032587512 /nfs/dbraw/zinc/58/75/12/1032587512.db2.gz ABLUEPUESXCDCX-INIZCTEOSA-N -1 0 343.448 3.789 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])cc1C ZINC000601994046 1032587558 /nfs/dbraw/zinc/58/75/58/1032587558.db2.gz LHGZSFXERMWZSN-YCPHGPKFSA-N -1 0 335.469 3.562 20 0 EHADRM CCC(CC)(CC)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000761001003 1032594066 /nfs/dbraw/zinc/59/40/66/1032594066.db2.gz GSLLSRJRJGMKIK-UHFFFAOYSA-N -1 0 337.485 3.587 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000460123428 1032600712 /nfs/dbraw/zinc/60/07/12/1032600712.db2.gz CWXPXHVSQYOSML-NTZNESFSSA-N -1 0 348.497 3.873 20 0 EHADRM CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000592975067 1032620355 /nfs/dbraw/zinc/62/03/55/1032620355.db2.gz ICKWYRUJAGRIFM-UHFFFAOYSA-N -1 0 349.843 3.901 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)N=c2nc(C(C)(C)C)[n-]s2)c1 ZINC000460151299 1032629743 /nfs/dbraw/zinc/62/97/43/1032629743.db2.gz OYNGSDVWMQYNIN-UHFFFAOYSA-N -1 0 345.468 3.855 20 0 EHADRM Cc1ccc(NC(=O)c2ncc(C)cc2[O-])c(OCC(F)(F)F)c1 ZINC000460183795 1032654379 /nfs/dbraw/zinc/65/43/79/1032654379.db2.gz DHTNHFJMIOWCDF-UHFFFAOYSA-N -1 0 340.301 3.597 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CCCCC3)c(F)c1 ZINC000592990528 1032658780 /nfs/dbraw/zinc/65/87/80/1032658780.db2.gz DWRYIFHYHUPZHR-UHFFFAOYSA-N -1 0 340.445 3.660 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)c2ccnc(C(=O)[O-])c2)c(F)c1 ZINC000655597094 1017138901 /nfs/dbraw/zinc/13/89/01/1017138901.db2.gz QTEDDIKTZUKAEE-UHFFFAOYSA-N -1 0 346.358 3.596 20 0 EHADRM Cc1cc(Br)ccc1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000183308909 1017273308 /nfs/dbraw/zinc/27/33/08/1017273308.db2.gz PAWQEFHYBJDKGB-UHFFFAOYSA-N -1 0 342.139 3.994 20 0 EHADRM Cc1cc(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)ccc1Br ZINC000653294308 1017310253 /nfs/dbraw/zinc/31/02/53/1017310253.db2.gz IJMOLAZKURNCDL-HNNXBMFYSA-N -1 0 338.201 3.507 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1occc1-c1ccccc1)CC(=O)[O-] ZINC000325157423 1017332355 /nfs/dbraw/zinc/33/23/55/1017332355.db2.gz ZCLYOEJKIVAYNV-AWEZNQCLSA-N -1 0 329.396 3.813 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCC[C@H]1CCc1ccccc1 ZINC000183449464 1017332931 /nfs/dbraw/zinc/33/29/31/1017332931.db2.gz HHSOWYDNHARHAN-HNNXBMFYSA-N -1 0 331.362 3.908 20 0 EHADRM Cc1ccc([C@@H]([N-]S(=O)(=O)Cc2cccc(C)c2)C(F)(F)F)o1 ZINC000655660537 1017347888 /nfs/dbraw/zinc/34/78/88/1017347888.db2.gz JUIYVVUSHZFURS-CQSZACIVSA-N -1 0 347.358 3.619 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCc1cc(Cl)cs1)C1CCCCC1 ZINC000537411759 1032712435 /nfs/dbraw/zinc/71/24/35/1032712435.db2.gz QYXFRGGIMNNFDQ-AWEZNQCLSA-N -1 0 343.876 3.874 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2ccc(Oc3ccccc3)nc2)c1 ZINC000238227393 1017645241 /nfs/dbraw/zinc/64/52/41/1017645241.db2.gz ZSKKHWQYOHQYSH-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000545366580 1017647744 /nfs/dbraw/zinc/64/77/44/1017647744.db2.gz QBFUCMHJCITNDJ-VHDGCEQUSA-N -1 0 349.418 3.658 20 0 EHADRM CCOc1ccc(F)c([N-]C(=O)c2cc(-c3ccccn3)no2)c1F ZINC000340437815 1017803350 /nfs/dbraw/zinc/80/33/50/1017803350.db2.gz ZNOZOBNRFJLQGW-UHFFFAOYSA-N -1 0 345.305 3.666 20 0 EHADRM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000683631667 1017813768 /nfs/dbraw/zinc/81/37/68/1017813768.db2.gz JJFHCXDSQNQZJL-APPZFPTMSA-N -1 0 339.716 3.988 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@@H](C(C)(C)C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655904038 1017896088 /nfs/dbraw/zinc/89/60/88/1017896088.db2.gz QREUTSODQDMURQ-LJISPDSOSA-N -1 0 338.492 3.590 20 0 EHADRM CCCN(Cc1ccccc1)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655908920 1017906992 /nfs/dbraw/zinc/90/69/92/1017906992.db2.gz WPJFDKADDKKAAR-HYVNUMGLSA-N -1 0 346.471 3.744 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccccc1CCC(F)(F)F ZINC000089099204 1017942151 /nfs/dbraw/zinc/94/21/51/1017942151.db2.gz LUSNQJTXBTUNPL-OLZOCXBDSA-N -1 0 341.329 3.787 20 0 EHADRM CC(C)(CC(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)C(=O)[O-] ZINC000580004102 1018022942 /nfs/dbraw/zinc/02/29/42/1018022942.db2.gz CVATZBXAZNTGEK-NSHDSACASA-N -1 0 337.725 3.561 20 0 EHADRM CCC[C@@](C)(NC(=O)Nc1ccc(-c2csc(C)n2)cc1)C(=O)[O-] ZINC000580031113 1018240517 /nfs/dbraw/zinc/24/05/17/1018240517.db2.gz BOPBVRSOOZRUCW-QGZVFWFLSA-N -1 0 347.440 3.883 20 0 EHADRM [O-]c1c(F)cc(CN2Cc3ccc(F)cc3C2)cc1Br ZINC001232633342 1032752202 /nfs/dbraw/zinc/75/22/02/1032752202.db2.gz LOBVFJCMHSCHGS-UHFFFAOYSA-N -1 0 340.167 3.949 20 0 EHADRM Cc1cc(NC(=O)c2cc(F)cc(F)c2[O-])cnc1C(F)(F)F ZINC001168278627 1032752871 /nfs/dbraw/zinc/75/28/71/1032752871.db2.gz LAHLWHXNBWFYHO-UHFFFAOYSA-N -1 0 332.228 3.645 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2N(C)C)c(Cl)cc1F ZINC000471501999 1018364525 /nfs/dbraw/zinc/36/45/25/1018364525.db2.gz ZULDKCTWXGXMKK-UHFFFAOYSA-N -1 0 342.823 3.654 20 0 EHADRM Clc1ccccc1-c1n[n-]c(=NCc2cnc(C3CC3)o2)s1 ZINC000580036163 1018400345 /nfs/dbraw/zinc/40/03/45/1018400345.db2.gz AVDJHZWUYRGPFT-UHFFFAOYSA-N -1 0 332.816 3.758 20 0 EHADRM Cc1ccc(-c2csc(NC(=O)[C@@H]3CC[C@H](C(=O)[O-])C3)n2)s1 ZINC000653299153 1018469933 /nfs/dbraw/zinc/46/99/33/1018469933.db2.gz BWLTZIPVDWHLSS-ZJUUUORDSA-N -1 0 336.438 3.619 20 0 EHADRM C[C@@H]1CO[C@H](c2ccccc2Cl)CN1Cc1occc1C(=O)[O-] ZINC000580084202 1018620555 /nfs/dbraw/zinc/62/05/55/1018620555.db2.gz NHFXKYXNTUOBLB-ABAIWWIYSA-N -1 0 335.787 3.593 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000377974847 1018625486 /nfs/dbraw/zinc/62/54/86/1018625486.db2.gz PUQCDRAVSHSHBS-LJQANCHMSA-N -1 0 343.810 3.656 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@@H](C)c2ccc(Br)s2)s[n-]1 ZINC000509906489 1018918159 /nfs/dbraw/zinc/91/81/59/1018918159.db2.gz ZVFKNQODLXAUOG-BQBZGAKWSA-N -1 0 348.291 3.665 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 ZINC000237057494 1018918792 /nfs/dbraw/zinc/91/87/92/1018918792.db2.gz DXXHNJHURRKFHH-YUNKPMOVSA-N -1 0 342.439 3.666 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)nc1)c1c(Cl)cccc1Cl ZINC000067244183 1018924081 /nfs/dbraw/zinc/92/40/81/1018924081.db2.gz XFQFVHBTLQTWEA-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM C[C@@]1(NC(=O)c2csc(-c3ccccc3)n2)CCCC[C@@H]1C(=O)[O-] ZINC000432134120 1019017621 /nfs/dbraw/zinc/01/76/21/1019017621.db2.gz SBQIVXRWLYMHIV-FZKQIMNGSA-N -1 0 344.436 3.573 20 0 EHADRM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2sc(C)nc2C)cc1 ZINC000433529978 1019085919 /nfs/dbraw/zinc/08/59/19/1019085919.db2.gz WJFGJWUBOKIXAV-SNVBAGLBSA-N -1 0 340.470 3.738 20 0 EHADRM CN1CCN(c2ccc(Nc3ccccc3C(=O)[O-])cc2Cl)CC1 ZINC001210967541 1019148861 /nfs/dbraw/zinc/14/88/61/1019148861.db2.gz IHKKSMLGHSHWAQ-UHFFFAOYSA-N -1 0 345.830 3.534 20 0 EHADRM CC[C@@H](CC(=O)[N-]S(=O)(=O)CC1CCCCC1)c1ccccc1 ZINC000729093609 1019189832 /nfs/dbraw/zinc/18/98/32/1019189832.db2.gz ZCBFDOOULPJMOV-INIZCTEOSA-N -1 0 337.485 3.597 20 0 EHADRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1)C1CCCCC1 ZINC000726316479 1019191139 /nfs/dbraw/zinc/19/11/39/1019191139.db2.gz PFNQRKHUVMPIIO-LBPRGKRZSA-N -1 0 343.876 3.751 20 0 EHADRM CCCc1ccc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)cc1 ZINC001167937057 1019238478 /nfs/dbraw/zinc/23/84/78/1019238478.db2.gz QEUGPXXKGDBFRQ-UHFFFAOYSA-N -1 0 331.352 3.724 20 0 EHADRM O=C([N-]S(=O)(=O)Cc1ccccc1)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000050205097 1019265224 /nfs/dbraw/zinc/26/52/24/1019265224.db2.gz FDEAYKFATCPKOL-JKSUJKDBSA-N -1 0 349.839 3.930 20 0 EHADRM O=[N+]([O-])c1ccc([O-])c(/C=N/CCc2c[nH]c3cc(F)ccc23)c1 ZINC000050234220 1019384762 /nfs/dbraw/zinc/38/47/62/1019384762.db2.gz PUIONYHFPAKLDV-DJKKODMXSA-N -1 0 327.315 3.582 20 0 EHADRM CCSCc1ccc(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000571625479 1019399426 /nfs/dbraw/zinc/39/94/26/1019399426.db2.gz GOLQARVYLGJNQY-CQSZACIVSA-N -1 0 336.457 3.658 20 0 EHADRM C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656232395 1019475470 /nfs/dbraw/zinc/47/54/70/1019475470.db2.gz YWLXLLXADCQGSX-MYBUGEPTSA-N -1 0 349.858 3.695 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc(C(F)F)cc2F)C1 ZINC000656237884 1019513756 /nfs/dbraw/zinc/51/37/56/1019513756.db2.gz HBNAJRFXHHYCAF-LLVKDONJSA-N -1 0 343.345 3.726 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)N[C@H](C)c1cccc(OC(C)C)c1)C1CC1 ZINC000580514063 1019531262 /nfs/dbraw/zinc/53/12/62/1019531262.db2.gz WRUBSVYNPOMKNZ-CXAGYDPISA-N -1 0 348.443 3.572 20 0 EHADRM COc1cc2ccc(NC(=O)c3c([O-])cccc3F)cc2cc1OC ZINC001167415913 1019531863 /nfs/dbraw/zinc/53/18/63/1019531863.db2.gz DDXLDAMIOAUGTD-UHFFFAOYSA-N -1 0 341.338 3.954 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)N[C@H](C)c1cccc(OC(C)C)c1)C1CC1 ZINC000580514064 1019532321 /nfs/dbraw/zinc/53/23/21/1019532321.db2.gz WRUBSVYNPOMKNZ-DYVFJYSZSA-N -1 0 348.443 3.572 20 0 EHADRM C[C@H](CNC(=O)[C@H](Sc1ccccc1)c1ccccc1)CC(=O)[O-] ZINC000262155277 1019551023 /nfs/dbraw/zinc/55/10/23/1019551023.db2.gz MHEXGGMTHJFHIQ-KBXCAEBGSA-N -1 0 343.448 3.747 20 0 EHADRM Cc1c(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cnn1C(C)(C)C ZINC000262433140 1019627183 /nfs/dbraw/zinc/62/71/83/1019627183.db2.gz BYPSKIWTCUXMQH-UHFFFAOYSA-N -1 0 329.400 3.514 20 0 EHADRM Cc1nc(C(=O)N(C)[C@@H](c2ccccc2)C(C)C)ccc1C(=O)[O-] ZINC000263352200 1019883468 /nfs/dbraw/zinc/88/34/68/1019883468.db2.gz QCHWSDMLGMGTLY-QGZVFWFLSA-N -1 0 326.396 3.558 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@@H](C)c1c(F)cccc1F ZINC000263479631 1019914208 /nfs/dbraw/zinc/91/42/08/1019914208.db2.gz AGOZXIATFOWLFN-LRDDRELGSA-N -1 0 347.361 3.709 20 0 EHADRM c1ccc([C@@H]2CCC[C@@H](N=c3[n-]c(C4CCOCC4)no3)C2)cc1 ZINC000580761561 1019992149 /nfs/dbraw/zinc/99/21/49/1019992149.db2.gz JYNHHWUMJVAIHI-IAGOWNOFSA-N -1 0 327.428 3.524 20 0 EHADRM CCN(CCc1nccs1)C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000580782239 1020010121 /nfs/dbraw/zinc/01/01/21/1020010121.db2.gz BCXGNOCPYXHRJW-UHFFFAOYSA-N -1 0 344.358 3.572 20 0 EHADRM CCOc1cccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000055652153 1020095253 /nfs/dbraw/zinc/09/52/53/1020095253.db2.gz VEMAPDIPGVISGE-UHFFFAOYSA-N -1 0 345.342 3.905 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)N[C@@H](C)c1c(F)cccc1Cl)C1CC1 ZINC000580826614 1020099799 /nfs/dbraw/zinc/09/97/99/1020099799.db2.gz LGNBPGOYJFXCSS-TVQRCGJNSA-N -1 0 342.798 3.577 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1ccccc1-n1ccnn1 ZINC000345274361 1020103191 /nfs/dbraw/zinc/10/31/91/1020103191.db2.gz FKCPKNPUMDAEGU-UHFFFAOYSA-N -1 0 349.177 3.532 20 0 EHADRM CC(C)CC[C@@H]1CCCCN1C(=O)N=c1nc2cc(Cl)ccn2[n-]1 ZINC000580921226 1020237397 /nfs/dbraw/zinc/23/73/97/1020237397.db2.gz WFRAUXXVMJAGQT-AWEZNQCLSA-N -1 0 349.866 3.627 20 0 EHADRM CC[C@@H](N=c1[n-]c(C(=O)OC)c(C)s1)c1ccc(F)cc1F ZINC000434094569 1020301123 /nfs/dbraw/zinc/30/11/23/1020301123.db2.gz XQSUHKHWQWOWPR-GFCCVEGCSA-N -1 0 326.368 3.501 20 0 EHADRM CSCc1cccc([N-]S(=O)(=O)c2c(C)cccc2F)c1 ZINC000548149935 1020302247 /nfs/dbraw/zinc/30/22/47/1020302247.db2.gz HBEAYYUIHPJHPI-UHFFFAOYSA-N -1 0 325.430 3.798 20 0 EHADRM CC(C)(C)c1ncc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cn1 ZINC000340832166 1020329337 /nfs/dbraw/zinc/32/93/37/1020329337.db2.gz TVKCRINZYYGPNI-UHFFFAOYSA-N -1 0 341.383 3.513 20 0 EHADRM CCCn1ccc2ccc(NC(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)cc21 ZINC000581049724 1020384683 /nfs/dbraw/zinc/38/46/83/1020384683.db2.gz HLYKNPMLQSLMNS-MLGOLLRUSA-N -1 0 331.416 3.672 20 0 EHADRM C[C@H](CN(C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000262031479 1020432775 /nfs/dbraw/zinc/43/27/75/1020432775.db2.gz YUYGKWWCDGCVRJ-SSDOTTSWSA-N -1 0 338.713 3.543 20 0 EHADRM Cc1ccn(-c2ccc(C(=O)Nc3cc(C)c(C)c(C(=O)[O-])c3)cc2)n1 ZINC000345890689 1020591014 /nfs/dbraw/zinc/59/10/14/1020591014.db2.gz SECDGBAMDLCDPU-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM Cc1ccc(C)c(CC(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000345901421 1020598888 /nfs/dbraw/zinc/59/88/88/1020598888.db2.gz HVNNRAIVIVBVCV-QGZVFWFLSA-N -1 0 345.826 3.832 20 0 EHADRM C[C@H](CC(=O)c1cccs1)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000160852818 1020695325 /nfs/dbraw/zinc/69/53/25/1020695325.db2.gz RUSBMXYEJJQDNC-SECBINFHSA-N -1 0 346.433 3.569 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2ccc3c(c2)CCOC3)CCCCC1 ZINC000656485818 1020707775 /nfs/dbraw/zinc/70/77/75/1020707775.db2.gz PLLWLMOMWDZHEO-UHFFFAOYSA-N -1 0 331.412 3.513 20 0 EHADRM CCO[C@@H](C)c1nc(Cc2nc(=O)c3sc(C)cc3[n-]2)cs1 ZINC000656491588 1020724112 /nfs/dbraw/zinc/72/41/12/1020724112.db2.gz PRBLXWREJRLGDH-VIFPVBQESA-N -1 0 335.454 3.850 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000581373445 1020758272 /nfs/dbraw/zinc/75/82/72/1020758272.db2.gz WFLZIMSIMNDZOW-HNNXBMFYSA-N -1 0 328.368 3.514 20 0 EHADRM Cc1n[n-]c(=NC(=O)N[C@@H](CC(C)C)c2ccc(Cl)cc2)s1 ZINC000341182485 1021053191 /nfs/dbraw/zinc/05/31/91/1021053191.db2.gz RVMUSGGVVNPCKI-ZDUSSCGKSA-N -1 0 338.864 3.831 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)C(c1ccccc1)c1ccccc1 ZINC000341189857 1021066966 /nfs/dbraw/zinc/06/69/66/1021066966.db2.gz JNQRPEJUWHQUQO-UHFFFAOYSA-N -1 0 329.403 3.547 20 0 EHADRM CCc1oc(C(=O)N2CC[C@](F)(c3ccccc3C)C2)cc1C(=O)[O-] ZINC000581550905 1021079523 /nfs/dbraw/zinc/07/95/23/1021079523.db2.gz SXRRSFJJWSMZOP-LJQANCHMSA-N -1 0 345.370 3.560 20 0 EHADRM COc1ccc2c(c1)C(=O)/C(=C/c1cccc(C(=O)[O-])c1Cl)C2 ZINC000188797662 1021089518 /nfs/dbraw/zinc/08/95/18/1021089518.db2.gz IBQUFVHNSNKDPN-XYOKQWHBSA-N -1 0 328.751 3.869 20 0 EHADRM O=C(CCc1ccc(-c2ccccc2)o1)N=c1ccc(C2CC2)n[n-]1 ZINC000341212319 1021106102 /nfs/dbraw/zinc/10/61/02/1021106102.db2.gz UJVUSIXPRATYSQ-UHFFFAOYSA-N -1 0 333.391 3.607 20 0 EHADRM O=C(CCCOc1ccc2c(c1)CCC2)Nc1ccc(F)c(F)c1[O-] ZINC001625987853 1032959025 /nfs/dbraw/zinc/95/90/25/1032959025.db2.gz GFSFWVXFDWMBDB-UHFFFAOYSA-N -1 0 347.361 3.957 20 0 EHADRM C[C@H](NC(=O)c1sc2cccc(F)c2c1Cl)[C@H](C)C(=O)[O-] ZINC000909654015 1032959216 /nfs/dbraw/zinc/95/92/16/1032959216.db2.gz PNSGPNRXDXHSFG-BQBZGAKWSA-N -1 0 329.780 3.533 20 0 EHADRM C[C@@H](CCNC(=O)c1nn(-c2ccccc2)cc1[O-])c1ccccc1 ZINC000439144609 1021179260 /nfs/dbraw/zinc/17/92/60/1021179260.db2.gz XJJYSXWQZJVCLH-HNNXBMFYSA-N -1 0 335.407 3.502 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CC[C@@H](c2cccc(F)c2)C1 ZINC000436780360 1021210850 /nfs/dbraw/zinc/21/08/50/1021210850.db2.gz ZVDPQNGKSHBTTJ-LLVKDONJSA-N -1 0 337.753 3.954 20 0 EHADRM CC(C)(CCCO)CNC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436764595 1021212907 /nfs/dbraw/zinc/21/29/07/1021212907.db2.gz MJERXTIPDGPIRN-UHFFFAOYSA-N -1 0 335.831 3.727 20 0 EHADRM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2ccc(C)nc2C)c1 ZINC000656727413 1021213691 /nfs/dbraw/zinc/21/36/91/1021213691.db2.gz HVVCTTWYZJVGEX-CYBMUJFWSA-N -1 0 334.441 3.677 20 0 EHADRM O=C(Nc1cccc(OCCF)c1)c1cc(F)cc(Cl)c1[O-] ZINC000436798624 1021220454 /nfs/dbraw/zinc/22/04/54/1021220454.db2.gz UTMRUKCAPVHBEL-UHFFFAOYSA-N -1 0 327.714 3.785 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1cc(F)cc(Cl)c1[O-])c1cccnc1 ZINC000436790239 1021231696 /nfs/dbraw/zinc/23/16/96/1021231696.db2.gz GFKHSOJDFJBTTH-CQSZACIVSA-N -1 0 336.794 3.749 20 0 EHADRM Cc1ccnc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1C1CC1 ZINC000656737800 1021235179 /nfs/dbraw/zinc/23/51/79/1021235179.db2.gz AIFMYXRBUYPMON-UHFFFAOYSA-N -1 0 342.464 3.947 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1nccc(C)c1C1CC1 ZINC000656740030 1021237875 /nfs/dbraw/zinc/23/78/75/1021237875.db2.gz WWUQBYPGOMGFEG-UHFFFAOYSA-N -1 0 334.466 3.790 20 0 EHADRM O=C(Nc1nc(-c2cccnc2)cs1)c1cc(F)c([O-])c(Cl)c1 ZINC000436815478 1021244800 /nfs/dbraw/zinc/24/48/00/1021244800.db2.gz OPOHPGIZGOEIBA-UHFFFAOYSA-N -1 0 349.774 3.956 20 0 EHADRM O=C(Nc1nnc(/C=C/c2ccco2)s1)c1cc(Cl)ccc1[O-] ZINC000436804219 1021248572 /nfs/dbraw/zinc/24/85/72/1021248572.db2.gz BCJUJXANPRJSTD-GQCTYLIASA-N -1 0 347.783 3.913 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000255341559 1021310846 /nfs/dbraw/zinc/31/08/46/1021310846.db2.gz DSOORZLMMKSHFM-BFFYNSAMSA-N -1 0 343.448 3.606 20 0 EHADRM O=C([O-])c1cccc2oc(/C=C\c3cnn(-c4ccccc4)c3)nc21 ZINC000439283463 1021318979 /nfs/dbraw/zinc/31/89/79/1021318979.db2.gz ZCBLFMZWIVPGMB-KTKRTIGZSA-N -1 0 331.331 3.882 20 0 EHADRM COC(=O)c1cccc(NC(=O)CC2(CC(=O)[O-])CCCCC2)c1C ZINC000044830605 1021355919 /nfs/dbraw/zinc/35/59/19/1021355919.db2.gz SNHXDPAIGVYQGJ-UHFFFAOYSA-N -1 0 347.411 3.535 20 0 EHADRM Cn1ncc2ccc(-c3noc(-c4cc(Cl)ccc4[O-])n3)cc21 ZINC000436930755 1021369045 /nfs/dbraw/zinc/36/90/45/1021369045.db2.gz IGKURHZZZUVTAV-UHFFFAOYSA-N -1 0 326.743 3.649 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2c(Cl)cncc2Cl)c1 ZINC000436934152 1021395771 /nfs/dbraw/zinc/39/57/71/1021395771.db2.gz KLPYQVNUEKYFAL-UHFFFAOYSA-N -1 0 325.151 3.549 20 0 EHADRM CN1CCCN(C(=O)c2ccc3c(c2O)CCCC3)c2ccccc21 ZINC000436963711 1021412004 /nfs/dbraw/zinc/41/20/04/1021412004.db2.gz FTAINHAWOJQSOL-UHFFFAOYSA-N -1 0 336.435 3.758 20 0 EHADRM CC[C@@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1nc2ccccc2[nH]1 ZINC000436970200 1021440951 /nfs/dbraw/zinc/44/09/51/1021440951.db2.gz CTUBJUDUDGTRNR-GFCCVEGCSA-N -1 0 347.777 3.942 20 0 EHADRM O=C(Nc1ccc(OCc2ccncc2)cc1)c1c([O-])cccc1F ZINC000436989668 1021444701 /nfs/dbraw/zinc/44/47/01/1021444701.db2.gz OPOHQSBQCDRKRJ-UHFFFAOYSA-N -1 0 338.338 3.758 20 0 EHADRM C[C@@H](NC(=O)c1cc(F)cc(Cl)c1[O-])c1ccc(Cl)cn1 ZINC000436991339 1021447102 /nfs/dbraw/zinc/44/71/02/1021447102.db2.gz SLTJRPGWLMJAIM-SSDOTTSWSA-N -1 0 329.158 3.724 20 0 EHADRM C[C@@H](Oc1cccc(-c2ccccc2OC[C@@H]2CCOC2)c1)C(=O)[O-] ZINC000581677652 1021450171 /nfs/dbraw/zinc/45/01/71/1021450171.db2.gz IIKQXMWUTJEHQK-HUUCEWRRSA-N -1 0 342.391 3.621 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)NCC1CCC(F)(F)CC1)C1CCCCC1 ZINC000507712272 1021464565 /nfs/dbraw/zinc/46/45/65/1021464565.db2.gz ALHNOFMQUCLTHV-KRWDZBQOSA-N -1 0 345.430 3.989 20 0 EHADRM O=C([N-]S(=O)(=O)C1CCCC1)c1cc2c(cccc2Cl)s1 ZINC000754748237 1021497305 /nfs/dbraw/zinc/49/73/05/1021497305.db2.gz XZDAAPDMGQYIIT-UHFFFAOYSA-N -1 0 343.857 3.557 20 0 EHADRM CCCn1ccc2ccc(NC(=O)N3CC[C@H](C)C[C@H]3C(=O)[O-])cc21 ZINC000516531909 1021518247 /nfs/dbraw/zinc/51/82/47/1021518247.db2.gz VSJZXQSAEJTVQD-GUYCJALGSA-N -1 0 343.427 3.768 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)cc1 ZINC000607102772 1032985394 /nfs/dbraw/zinc/98/53/94/1032985394.db2.gz FOYGTHOOAZOEQZ-UHFFFAOYSA-N -1 0 331.437 3.839 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000518761628 1021525240 /nfs/dbraw/zinc/52/52/40/1021525240.db2.gz SABVBWAFMTUWAV-VXGBXAGGSA-N -1 0 333.457 3.572 20 0 EHADRM CO[C@H](C)c1nc(=NCC(C)(C)c2cccc(Cl)c2F)s[n-]1 ZINC000509609928 1021554266 /nfs/dbraw/zinc/55/42/66/1021554266.db2.gz SXXKDFWRLMOWDC-SECBINFHSA-N -1 0 343.855 3.850 20 0 EHADRM Cc1cccc(CCC(=O)N=c2nc(-c3ccsc3)[n-]s2)c1 ZINC000518785996 1021560085 /nfs/dbraw/zinc/56/00/85/1021560085.db2.gz JTUBXGUBOGOXOG-UHFFFAOYSA-N -1 0 329.450 3.568 20 0 EHADRM CCCc1ccc(C(=O)N=c2nc(-c3ccsc3)[n-]s2)cc1 ZINC000518788117 1021563208 /nfs/dbraw/zinc/56/32/08/1021563208.db2.gz MIYRLGJEIQVGKK-UHFFFAOYSA-N -1 0 329.450 3.893 20 0 EHADRM O=C([O-])C1CCC(CC(=O)Nc2ccc3oc(C4CC4)nc3c2)CC1 ZINC000519655711 1021585300 /nfs/dbraw/zinc/58/53/00/1021585300.db2.gz UGDZMLBQCIBAQQ-UHFFFAOYSA-N -1 0 342.395 3.925 20 0 EHADRM CN(C(=O)Nc1cc(F)cc(Cl)c1)[C@H](C(=O)[O-])c1ccccc1 ZINC000516617594 1021600508 /nfs/dbraw/zinc/60/05/08/1021600508.db2.gz PPBZITVDPJEQOQ-AWEZNQCLSA-N -1 0 336.750 3.769 20 0 EHADRM CCCCc1nnc([N-]S(=O)(=O)c2cccc(C(C)C)c2)s1 ZINC000437184039 1021628438 /nfs/dbraw/zinc/62/84/38/1021628438.db2.gz NNXNIBCDGJVLPL-UHFFFAOYSA-N -1 0 339.486 3.805 20 0 EHADRM Cn1cnc2cc([N-]S(=O)(=O)c3cccc4ccccc43)ccc21 ZINC000437191580 1021635782 /nfs/dbraw/zinc/63/57/82/1021635782.db2.gz ACARPQHLSDWEMK-UHFFFAOYSA-N -1 0 337.404 3.527 20 0 EHADRM C[C@@H](CC(=O)N=c1nc(C(C)(C)C)[n-]s1)c1c[nH]c2ccccc21 ZINC000426462269 1021649960 /nfs/dbraw/zinc/64/99/60/1021649960.db2.gz QTCFKKKBFNYXEI-NSHDSACASA-N -1 0 342.468 3.871 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)CCO2)c1csc2ccccc21 ZINC000506648340 1021650003 /nfs/dbraw/zinc/65/00/03/1021650003.db2.gz LHLFXOKNOUOKDW-UHFFFAOYSA-N -1 0 331.418 3.637 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)C1 ZINC000516742429 1021689320 /nfs/dbraw/zinc/68/93/20/1021689320.db2.gz SDWPJOXQOYVRCJ-FZKQIMNGSA-N -1 0 348.418 3.563 20 0 EHADRM C[C@H](N=c1[n-]c(C2CCOCC2)no1)c1cc2ccccc2s1 ZINC000516853887 1021779161 /nfs/dbraw/zinc/77/91/61/1021779161.db2.gz IZPIUHXEKZFUBN-NSHDSACASA-N -1 0 329.425 3.773 20 0 EHADRM CC[C@@H](C)NC(=O)c1ccc(-n2[n-]c(Cc3ccccc3)cc2=O)cc1 ZINC000516840275 1021781209 /nfs/dbraw/zinc/78/12/09/1021781209.db2.gz LGQRLVANBDURFN-OAHLLOKOSA-N -1 0 349.434 3.550 20 0 EHADRM CCCC[C@@H](C)N(C)C(=O)N=c1[n-]nc(-c2ccc(OC)cc2)s1 ZINC000519037183 1021793557 /nfs/dbraw/zinc/79/35/57/1021793557.db2.gz TVRLQAHZFMJPDP-GFCCVEGCSA-N -1 0 348.472 3.678 20 0 EHADRM CC[C@H](C(=O)N[C@H](CC(=O)[O-])C1CCCCC1)c1ccc(OC)cc1 ZINC000439904885 1021801813 /nfs/dbraw/zinc/80/18/13/1021801813.db2.gz STRBFRIHMBJVIN-ZWKOTPCHSA-N -1 0 347.455 3.729 20 0 EHADRM Cc1cc(Br)ccc1C[S@](=O)[C@@H](CC(C)C)C(=O)[O-] ZINC000578158434 1021824664 /nfs/dbraw/zinc/82/46/64/1021824664.db2.gz UIDBELWQYZSEFB-DJJJIMSYSA-N -1 0 347.274 3.506 20 0 EHADRM O=C([O-])CN(Cc1csc(-c2ccc(Cl)cc2)n1)C1CCC1 ZINC000581835346 1021852957 /nfs/dbraw/zinc/85/29/57/1021852957.db2.gz WFTFUEAJYGUCDE-UHFFFAOYSA-N -1 0 336.844 3.903 20 0 EHADRM CCSc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1 ZINC000439950228 1021853126 /nfs/dbraw/zinc/85/31/26/1021853126.db2.gz ZKXYBMMAYVWDIA-UHFFFAOYSA-N -1 0 331.393 3.514 20 0 EHADRM O=C([O-])c1ccccc1CN1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000519183504 1021918266 /nfs/dbraw/zinc/91/82/66/1021918266.db2.gz RFSWVTYEBCIUQE-KRWDZBQOSA-N -1 0 331.799 3.612 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl)C1CCCCC1 ZINC000516988547 1021925211 /nfs/dbraw/zinc/92/52/11/1021925211.db2.gz YAFZQLBLDLVUHH-UXLLHSPISA-N -1 0 349.858 3.983 20 0 EHADRM O=C([O-])[C@H]1CCCCN1C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000517049695 1021981267 /nfs/dbraw/zinc/98/12/67/1021981267.db2.gz XQHQFMJQAWZUQF-CYBMUJFWSA-N -1 0 345.424 3.645 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N(CC)[C@H](CC)c2ccccc2)s1 ZINC000520174308 1022004293 /nfs/dbraw/zinc/00/42/93/1022004293.db2.gz CSPOVJQNNWLTLT-CQSZACIVSA-N -1 0 332.473 3.918 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)s1 ZINC000437649666 1022019730 /nfs/dbraw/zinc/01/97/30/1022019730.db2.gz YUAIDXBSOBHPPM-LSDHHAIUSA-N -1 0 344.484 3.616 20 0 EHADRM COc1ncccc1[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000440287568 1022067322 /nfs/dbraw/zinc/06/73/22/1022067322.db2.gz AFUPATUIIAOQOV-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM COc1cc(C)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000440299645 1022076360 /nfs/dbraw/zinc/07/63/60/1022076360.db2.gz XOZKSTKCBCNVIN-UHFFFAOYSA-N -1 0 347.436 3.518 20 0 EHADRM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2cccc3[nH]ccc32)c1 ZINC000588633792 1022135628 /nfs/dbraw/zinc/13/56/28/1022135628.db2.gz LEHASTGTLXOLBL-UHFFFAOYSA-N -1 0 337.404 3.825 20 0 EHADRM O=S(=O)([N-]c1nc2c(s1)CCCCCC2)c1ccsc1 ZINC000506832937 1022136160 /nfs/dbraw/zinc/13/61/60/1022136160.db2.gz CREKIKPLYSWFHR-UHFFFAOYSA-N -1 0 328.484 3.664 20 0 EHADRM CC(C)c1n[n-]c(=N[C@@H](C)c2ccc(OCc3cccnc3)cc2)o1 ZINC000520336994 1022147568 /nfs/dbraw/zinc/14/75/68/1022147568.db2.gz WMJUDEKUGDQLFL-AWEZNQCLSA-N -1 0 338.411 3.762 20 0 EHADRM CCc1nc(C[NH2+]Cc2ccc(C(C)(C)C)cc2)ccc1C(=O)[O-] ZINC000426652712 1022160908 /nfs/dbraw/zinc/16/09/08/1022160908.db2.gz WPECBOVZGVVTLU-UHFFFAOYSA-N -1 0 326.440 3.930 20 0 EHADRM O=C([O-])CN(Cc1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000519518256 1022176154 /nfs/dbraw/zinc/17/61/54/1022176154.db2.gz MXRAAUAZFKWXKP-UHFFFAOYSA-N -1 0 336.750 3.598 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000262079937 1022248630 /nfs/dbraw/zinc/24/86/30/1022248630.db2.gz BKDIEXZKLSJOCE-OLZOCXBDSA-N -1 0 337.382 3.897 20 0 EHADRM COc1ccccc1N=c1[n-]nc(SCc2cccc(N)c2)s1 ZINC000581922413 1022397678 /nfs/dbraw/zinc/39/76/78/1022397678.db2.gz HTXNMHLOLWJPHV-UHFFFAOYSA-N -1 0 344.465 3.587 20 0 EHADRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000048961841 1022422230 /nfs/dbraw/zinc/42/22/30/1022422230.db2.gz JKXGRPQPZOAZPT-UHFFFAOYSA-N -1 0 332.208 3.803 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CCCC[C@@H]1c1cc[nH]n1 ZINC000517585006 1022473329 /nfs/dbraw/zinc/47/33/29/1022473329.db2.gz QJWXWUSWWDAUHZ-CYBMUJFWSA-N -1 0 339.317 3.502 20 0 EHADRM C[C@H](CCc1ccccc1)Sc1n[n-]c(=NC[C@H]2CCCO2)s1 ZINC000614513562 1022513319 /nfs/dbraw/zinc/51/33/19/1022513319.db2.gz SWJGRQZDDKPPJO-UKRRQHHQSA-N -1 0 349.525 3.664 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)[C@H](c1ccccc1)C1CC1 ZINC000550122975 1022515707 /nfs/dbraw/zinc/51/57/07/1022515707.db2.gz QPJXRJRKYMDLGA-QGZVFWFLSA-N -1 0 348.406 3.618 20 0 EHADRM Cc1cc(Br)ccc1NC(=O)c1s[n-]c(=O)c1Cl ZINC000550126624 1022536858 /nfs/dbraw/zinc/53/68/58/1022536858.db2.gz VFJVOOAOKRYZBW-UHFFFAOYSA-N -1 0 347.621 3.825 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N(C)[C@@H](C)C2CCCCC2)s1 ZINC000330430742 1022585549 /nfs/dbraw/zinc/58/55/49/1022585549.db2.gz IJYZKOWAOQERST-JTQLQIEISA-N -1 0 328.507 3.505 20 0 EHADRM CC1(C)C[C@H](C(=O)Nc2cc(Br)ccc2O)C(C)(C)O1 ZINC000528899874 1033067608 /nfs/dbraw/zinc/06/76/08/1033067608.db2.gz CZCLWDOCYXODSC-SNVBAGLBSA-N -1 0 342.233 3.687 20 0 EHADRM COc1cc(Cl)c(NC(=O)c2c(F)ccc(O)c2F)cc1C ZINC000425999236 1022648860 /nfs/dbraw/zinc/64/88/60/1022648860.db2.gz CMXDXYKQUNVXRS-UHFFFAOYSA-N -1 0 327.714 3.893 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2N(C)C)sc1Cl ZINC000473760961 1022676275 /nfs/dbraw/zinc/67/62/75/1022676275.db2.gz XWFMMVOGPZXTIK-UHFFFAOYSA-N -1 0 330.862 3.577 20 0 EHADRM C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)N=c2[n-]nc(-c3ccccc3)s2)C1 ZINC000473770638 1022709155 /nfs/dbraw/zinc/70/91/55/1022709155.db2.gz MBTIKLRAAJIVHF-JHJVBQTASA-N -1 0 330.457 3.525 20 0 EHADRM CC(=O)c1ccc(C(=O)N2C[C@@H](c3ccccc3C)C[C@@H]2C)cc1O ZINC000331357542 1022801578 /nfs/dbraw/zinc/80/15/78/1022801578.db2.gz UBMJOMNLAJTKGS-YOEHRIQHSA-N -1 0 337.419 3.921 20 0 EHADRM O=S(=O)([N-]c1cc(C2CCCC2)[nH]n1)c1ccccc1Cl ZINC000126804027 1022836831 /nfs/dbraw/zinc/83/68/31/1022836831.db2.gz YUTVIGSZDZHKSH-UHFFFAOYSA-N -1 0 325.821 3.522 20 0 EHADRM CC(C)CCOCCSc1n[n-]c(=Nc2cccc(F)c2)s1 ZINC000510652417 1022838239 /nfs/dbraw/zinc/83/82/39/1022838239.db2.gz WWVISQCBSGOHGL-UHFFFAOYSA-N -1 0 341.477 3.998 20 0 EHADRM C[C@@H](NC(=O)C1(c2cccc(Cl)c2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655586515 1022859594 /nfs/dbraw/zinc/85/95/94/1022859594.db2.gz UWMBFVYEEMRQAF-BYCMXARLSA-N -1 0 349.858 3.623 20 0 EHADRM Cc1ccccc1NS(=O)(=O)c1cccc(Br)c1C ZINC000476272795 1033088427 /nfs/dbraw/zinc/08/84/27/1033088427.db2.gz FRRSFXSDQLMEKL-UHFFFAOYSA-N -1 0 340.242 3.867 20 0 EHADRM CC(C)(C)n1nc(C(=O)N=c2cc(-c3ccccc3)[nH][nH]2)cc1C1CC1 ZINC000341657351 1022884064 /nfs/dbraw/zinc/88/40/64/1022884064.db2.gz LEEZPLVOBOVWNU-UHFFFAOYSA-N -1 0 349.438 3.580 20 0 EHADRM CCCN(CC1CCCCC1)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000262054814 1022889468 /nfs/dbraw/zinc/88/94/68/1022889468.db2.gz CEULWHFMHIZGNS-UHFFFAOYSA-N -1 0 333.428 3.583 20 0 EHADRM Cc1nc(CNCc2cccc(OC3CCCC3)c2)sc1C(=O)[O-] ZINC000426696833 1022968012 /nfs/dbraw/zinc/96/80/12/1022968012.db2.gz QRSXRZIZMAEAJN-UHFFFAOYSA-N -1 0 346.452 3.761 20 0 EHADRM Cc1ccc([C@@H](NCc2sccc2Br)C(=O)[O-])cc1 ZINC000426716340 1022984183 /nfs/dbraw/zinc/98/41/83/1022984183.db2.gz VJAOBRLLWQVKPF-CYBMUJFWSA-N -1 0 340.242 3.735 20 0 EHADRM CCn1ncc2ccc(NC(=O)c3cc(F)c([O-])c(Cl)c3)cc21 ZINC000189279388 1022995244 /nfs/dbraw/zinc/99/52/44/1022995244.db2.gz DHMIQVGGSQKZMQ-UHFFFAOYSA-N -1 0 333.750 3.807 20 0 EHADRM O=C([O-])[C@@H](NCc1cccc(C(F)(F)F)c1)c1c(F)cccc1F ZINC000426741830 1023009567 /nfs/dbraw/zinc/00/95/67/1023009567.db2.gz HGLPJOHVYQOGII-AWEZNQCLSA-N -1 0 345.267 3.899 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2-c2cn[nH]c2)c(C)s1 ZINC000438817196 1023013898 /nfs/dbraw/zinc/01/38/98/1023013898.db2.gz GKKPPJDRRAIDGJ-UHFFFAOYSA-N -1 0 333.438 3.556 20 0 EHADRM Cc1cc(C)cc([C@@H](NCc2nc3c(s2)C[C@H](C)CC3)C(=O)[O-])c1 ZINC000426753187 1023023736 /nfs/dbraw/zinc/02/37/36/1023023736.db2.gz CIOIHPPSWFAOFN-ADLMAVQZSA-N -1 0 344.480 3.800 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000509551706 1023031188 /nfs/dbraw/zinc/03/11/88/1023031188.db2.gz ACDOXDVMUHFBDL-UHFFFAOYSA-N -1 0 327.352 3.554 20 0 EHADRM CCCOc1ccc(CN[C@H](C(=O)[O-])c2cccs2)cc1OCC ZINC000426778726 1023038566 /nfs/dbraw/zinc/03/85/66/1023038566.db2.gz AFQBKHAVSXKQMS-KRWDZBQOSA-N -1 0 349.452 3.851 20 0 EHADRM Cc1ccc2[nH]c(CN[C@@H](C(=O)[O-])c3ccccc3F)cc2c1C ZINC000426766871 1023044305 /nfs/dbraw/zinc/04/43/05/1023044305.db2.gz HQKBCXGHSZKBFZ-GOSISDBHSA-N -1 0 326.371 3.839 20 0 EHADRM O=C([O-])[C@@H](NCc1cnc(-c2cccs2)s1)c1ccc(F)cc1 ZINC000426767695 1023044635 /nfs/dbraw/zinc/04/46/35/1023044635.db2.gz PNUUJGBYFZOMNZ-AWEZNQCLSA-N -1 0 348.424 3.926 20 0 EHADRM O=C([O-])[C@@H](NCc1ccc(Br)cc1F)c1cccs1 ZINC000426819166 1023064728 /nfs/dbraw/zinc/06/47/28/1023064728.db2.gz UTHDHJBJKZHLKM-LBPRGKRZSA-N -1 0 344.205 3.565 20 0 EHADRM O=C([N-]c1c(F)cccc1F)c1nc(-c2ncccc2C2CC2)no1 ZINC001212174416 1033105483 /nfs/dbraw/zinc/10/54/83/1033105483.db2.gz XIIHFBSHGSQCMB-UHFFFAOYSA-N -1 0 342.305 3.540 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(C(=O)c1cc3cccc(Cl)c3s1)CC2 ZINC000518194771 1023114300 /nfs/dbraw/zinc/11/43/00/1023114300.db2.gz RQQMHYCSLVVGQP-NSHDSACASA-N -1 0 349.839 3.882 20 0 EHADRM CCCCOc1ccc(C([O-])=CS(=O)(=O)Cc2ccccc2)cc1 ZINC000196120301 1033106192 /nfs/dbraw/zinc/10/61/92/1033106192.db2.gz ZBPXIESQJIOTCS-UHFFFAOYSA-N -1 0 346.448 3.663 20 0 EHADRM CC(C)Oc1ccccc1[C@H](C)NC(=O)c1s[n-]c(=O)c1Cl ZINC000520478096 1023136724 /nfs/dbraw/zinc/13/67/24/1023136724.db2.gz XCFOHHYZPPUFEE-VIFPVBQESA-N -1 0 340.832 3.780 20 0 EHADRM COc1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)c1 ZINC000439040049 1023230068 /nfs/dbraw/zinc/23/00/68/1023230068.db2.gz GLXMJVKBIQZAMY-UHFFFAOYSA-N -1 0 325.455 3.855 20 0 EHADRM Cc1cscc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000439040588 1023230403 /nfs/dbraw/zinc/23/04/03/1023230403.db2.gz IXWSKTHTJVUVLA-UHFFFAOYSA-N -1 0 345.829 3.517 20 0 EHADRM O=C([O-])[C@H]1CC[C@H]1C(=O)Nc1ccccc1Oc1cc(F)cc(F)c1 ZINC000507312621 1023239850 /nfs/dbraw/zinc/23/98/50/1023239850.db2.gz UMWKFFJQGBOCQQ-KGLIPLIRSA-N -1 0 347.317 3.806 20 0 EHADRM O=C([O-])[C@H]1CC[C@@H]1C(=O)Nc1ccccc1Oc1cc(F)cc(F)c1 ZINC000507312620 1023240235 /nfs/dbraw/zinc/24/02/35/1023240235.db2.gz UMWKFFJQGBOCQQ-KBPBESRZSA-N -1 0 347.317 3.806 20 0 EHADRM COc1ccc([C@@H](N=c2[n-]nc(C3CC3)o2)c2ccc(C)cc2)cc1 ZINC000341752254 1023250674 /nfs/dbraw/zinc/25/06/74/1023250674.db2.gz VSZVAFXEDGIGFS-SFHVURJKSA-N -1 0 335.407 3.887 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cn(CC(C)C)nc2C(F)F)c1 ZINC000341753243 1023253007 /nfs/dbraw/zinc/25/30/07/1023253007.db2.gz GAKFSGMJYDHBFO-UHFFFAOYSA-N -1 0 343.399 3.586 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)c2ccc(-c3ccccc3)[nH]2)s1 ZINC000518395242 1023283261 /nfs/dbraw/zinc/28/32/61/1023283261.db2.gz FQLGISSXUYJPSX-UHFFFAOYSA-N -1 0 326.425 3.505 20 0 EHADRM O=C(Nc1nnc(-c2ccco2)s1)c1csc(-c2ccoc2)n1 ZINC000341765202 1023288749 /nfs/dbraw/zinc/28/87/49/1023288749.db2.gz UBLSFLJZBXTHEW-UHFFFAOYSA-N -1 0 344.377 3.767 20 0 EHADRM COc1cccc(-c2nc(=NC(=O)CCC3CCCC3)s[n-]2)c1 ZINC000476322948 1033120946 /nfs/dbraw/zinc/12/09/46/1033120946.db2.gz KYHVCILDLCGIDU-UHFFFAOYSA-N -1 0 331.441 3.545 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1C ZINC000134767879 1033125051 /nfs/dbraw/zinc/12/50/51/1033125051.db2.gz ZJFGMLYZHMJROZ-UHFFFAOYSA-N -1 0 329.830 3.713 20 0 EHADRM COc1cc(NC(=O)CC2(C(=O)[O-])CCCCCC2)cc(OC)c1C ZINC000431185276 1023436029 /nfs/dbraw/zinc/43/60/29/1023436029.db2.gz XLVDFKQUZUQVHU-UHFFFAOYSA-N -1 0 349.427 3.766 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)cc1C ZINC000548477902 1023442226 /nfs/dbraw/zinc/44/22/26/1023442226.db2.gz JOHYRFIJNXSBCM-UHFFFAOYSA-N -1 0 330.409 3.676 20 0 EHADRM O=C([O-])C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC001143415766 1023450163 /nfs/dbraw/zinc/45/01/63/1023450163.db2.gz RJAYKFXTTGGRFM-UHFFFAOYSA-N -1 0 325.242 3.521 20 0 EHADRM Cc1ccc2cccc(S(=O)(=O)[N-]c3scnc3C3CC3)c2n1 ZINC000535686516 1023564059 /nfs/dbraw/zinc/56/40/59/1023564059.db2.gz POXUCUZSTAVCFI-UHFFFAOYSA-N -1 0 345.449 3.678 20 0 EHADRM CC(C)Oc1ccc(CN=c2[n-]nc(C3CC3)o2)c(C(F)(F)F)c1 ZINC000342096705 1023940428 /nfs/dbraw/zinc/94/04/28/1023940428.db2.gz ORAJXKSEAVIVFQ-UHFFFAOYSA-N -1 0 341.333 3.787 20 0 EHADRM C/C(=C\C1CCC(C)CC1)C(=O)NCc1nc(C)c(C(=O)[O-])s1 ZINC000909505309 1023957492 /nfs/dbraw/zinc/95/74/92/1023957492.db2.gz XYVSJPOODBMFNR-DHZHZOJOSA-N -1 0 336.457 3.539 20 0 EHADRM CCCC[C@H](NC(=O)c1ccc(NCc2ccsc2)cc1)C(=O)[O-] ZINC000909507679 1024024262 /nfs/dbraw/zinc/02/42/62/1024024262.db2.gz SCWSIJKEBKBCQA-INIZCTEOSA-N -1 0 346.452 3.733 20 0 EHADRM Cc1ccc(C)c(NC(=O)[C@](C)(CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000634815050 1024037833 /nfs/dbraw/zinc/03/78/33/1024037833.db2.gz XWVMQBMTQLVRLI-LJQANCHMSA-N -1 0 329.371 3.814 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000191205256 1024057395 /nfs/dbraw/zinc/05/73/95/1024057395.db2.gz OFOIBKJJVYDUDM-SJLPKXTDSA-N -1 0 331.456 3.749 20 0 EHADRM C[C@H](CC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)C1CCCCC1 ZINC000262187090 1024058031 /nfs/dbraw/zinc/05/80/31/1024058031.db2.gz QRCCCMIMNKHKIL-RDTXWAMCSA-N -1 0 329.440 3.804 20 0 EHADRM CCCOCCOc1cccc(-c2ccccc2[C@@H](OC)C(=O)[O-])c1 ZINC000657203633 1024083645 /nfs/dbraw/zinc/08/36/45/1024083645.db2.gz HOVLUJYNXROGPP-LJQANCHMSA-N -1 0 344.407 3.931 20 0 EHADRM CC(C)CCC(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000236687919 1024088506 /nfs/dbraw/zinc/08/85/06/1024088506.db2.gz IMXNDBQDYBPOBL-ZDUSSCGKSA-N -1 0 342.233 3.517 20 0 EHADRM COCC[C@H](Cc1cccc(-c2cc(F)ccc2OC)c1)C(=O)[O-] ZINC000657204971 1024088658 /nfs/dbraw/zinc/08/86/58/1024088658.db2.gz MCPRLWKECGDIRO-OAHLLOKOSA-N -1 0 332.371 3.781 20 0 EHADRM CCCCOc1cccc(NS(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000511262555 1033181958 /nfs/dbraw/zinc/18/19/58/1033181958.db2.gz UMPXEZLYPSPFSF-UHFFFAOYSA-N -1 0 347.436 3.601 20 0 EHADRM Cc1cc(-c2ccc(CC(=O)[O-])c(F)c2)ccc1O[C@@H]1CCOC1 ZINC000657204816 1024095970 /nfs/dbraw/zinc/09/59/70/1024095970.db2.gz OLXYPMFYCCTEAO-MRXNPFEDSA-N -1 0 330.355 3.596 20 0 EHADRM Cc1ccccc1[C@@H](C)NC(=O)[C@](C)(CC(=O)[O-])c1ccsc1 ZINC000634815525 1024096029 /nfs/dbraw/zinc/09/60/29/1024096029.db2.gz WXNVKVJTYGEPLA-FZKQIMNGSA-N -1 0 331.437 3.666 20 0 EHADRM Cc1c(C(=O)[O-])cc(S(C)(=O)=O)cc1-c1cccc(C(C)C)c1 ZINC000657204697 1024101118 /nfs/dbraw/zinc/10/11/18/1024101118.db2.gz MCTYXYIZTWSXDG-UHFFFAOYSA-N -1 0 332.421 3.887 20 0 EHADRM COCc1cc(-c2ccc(OC)c(C3(C(=O)[O-])CC3)c2)ccc1OC ZINC000657204442 1024102800 /nfs/dbraw/zinc/10/28/00/1024102800.db2.gz OSRJMYMQBIXVHY-UHFFFAOYSA-N -1 0 342.391 3.633 20 0 EHADRM CC(C)(Oc1ccc(-c2ccc(O[C@H]3CCOC3)cc2)cc1)C(=O)[O-] ZINC000657204382 1024104535 /nfs/dbraw/zinc/10/45/35/1024104535.db2.gz HXDBDOUQRBAKEC-SFHVURJKSA-N -1 0 342.391 3.763 20 0 EHADRM COCCc1cccc(-c2cccc(C[C@@H](CCOC)C(=O)[O-])c2)c1 ZINC000657205231 1024105377 /nfs/dbraw/zinc/10/53/77/1024105377.db2.gz YXQUHBVNWNDJPC-HXUWFJFHSA-N -1 0 342.435 3.822 20 0 EHADRM COCCCOc1ccc(-c2c(C)sc(C(=O)[O-])c2OC)cc1 ZINC000657207422 1024131427 /nfs/dbraw/zinc/13/14/27/1024131427.db2.gz PUWKOBYIIUFVEH-UHFFFAOYSA-N -1 0 336.409 3.846 20 0 EHADRM CC[C@@H](C)[C@H]([N-]S(=O)(=O)Cc1ccccc1Cl)C(F)(F)F ZINC000443937361 1024134874 /nfs/dbraw/zinc/13/48/74/1024134874.db2.gz RVAZKDSEBNBFEM-SKDRFNHKSA-N -1 0 343.798 3.736 20 0 EHADRM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(F)(F)F ZINC000443936954 1024135068 /nfs/dbraw/zinc/13/50/68/1024135068.db2.gz ANWUVZGOUOGCFO-IMTBSYHQSA-N -1 0 335.800 3.657 20 0 EHADRM CC(=O)c1ccccc1C(=O)Nc1ccc(OC(F)(F)F)cc1O ZINC000443555256 1024144781 /nfs/dbraw/zinc/14/47/81/1024144781.db2.gz BLLGZLJEGUKQKE-UHFFFAOYSA-N -1 0 339.269 3.746 20 0 EHADRM Cc1noc(C)c1C(C)(C)C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000280744400 1024169521 /nfs/dbraw/zinc/16/95/21/1024169521.db2.gz GQGLXMTVKQGPRF-UHFFFAOYSA-N -1 0 331.397 3.638 20 0 EHADRM C[C@@H]1CCCN(Cc2coc(-c3ccc(Cl)cc3)n2)[C@H]1C(=O)[O-] ZINC000324075944 1024178785 /nfs/dbraw/zinc/17/87/85/1024178785.db2.gz GHNRXEVGHQRRQJ-IAQYHMDHSA-N -1 0 334.803 3.680 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@H](C)C2(c3ccccc3)CCCC2)s[n-]1 ZINC000509626651 1024198366 /nfs/dbraw/zinc/19/83/66/1024198366.db2.gz SUHQLSIZFVKKCQ-UONOGXRCSA-N -1 0 331.485 3.980 20 0 EHADRM CCCCn1cc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c(C)n1 ZINC000909512672 1024232967 /nfs/dbraw/zinc/23/29/67/1024232967.db2.gz HKUFGAOVJUPLMW-UHFFFAOYSA-N -1 0 329.400 3.559 20 0 EHADRM CCCCOc1ccc(OC)cc1NC(=O)[C@](C)(CC)CC(=O)[O-] ZINC000634817248 1024274509 /nfs/dbraw/zinc/27/45/09/1024274509.db2.gz UYRJKNSCMJLQDT-GOSISDBHSA-N -1 0 337.416 3.704 20 0 EHADRM COc1cc(C)ccc1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000909519321 1024379083 /nfs/dbraw/zinc/37/90/83/1024379083.db2.gz HBOCJCQTIKFMGI-ZDUSSCGKSA-N -1 0 327.380 3.519 20 0 EHADRM C[C@H](C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1)c1ccccc1F ZINC000191544808 1024412338 /nfs/dbraw/zinc/41/23/38/1024412338.db2.gz UCVPQIRHSZRWLI-GOEBONIOSA-N -1 0 343.398 3.522 20 0 EHADRM COCc1n[n-]c(=NCC(C)(C)c2ccc(C(F)(F)F)cc2)s1 ZINC000468721607 1024429374 /nfs/dbraw/zinc/42/93/74/1024429374.db2.gz AAFKRJATSJNSLP-UHFFFAOYSA-N -1 0 345.390 3.515 20 0 EHADRM CCC(CC)n1ccc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)n1 ZINC000909520392 1024446219 /nfs/dbraw/zinc/44/62/19/1024446219.db2.gz POPOJTASQJHALG-ZDUSSCGKSA-N -1 0 343.427 3.760 20 0 EHADRM O=C([O-])CC[C@H](CC1CCCCC1)NC(=O)[C@H]1CCC[C@H](F)C1 ZINC000425253466 1024512711 /nfs/dbraw/zinc/51/27/11/1024512711.db2.gz KBWBTFGZQZZFIQ-HRCADAONSA-N -1 0 327.440 3.835 20 0 EHADRM O=C([O-])[C@@H](C[C@@H]1CCCc2ccccc21)NC(=O)[C@@H]1CCC[C@@H](F)C1 ZINC000425251435 1024516638 /nfs/dbraw/zinc/51/66/38/1024516638.db2.gz HMLMCAAFHSXHED-BVIKNXMNSA-N -1 0 347.430 3.594 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000417750760 1024524967 /nfs/dbraw/zinc/52/49/67/1024524967.db2.gz GMHRNAHFWBLCCT-UHFFFAOYSA-N -1 0 333.413 3.502 20 0 EHADRM CC(C)n1cc2cc(NC(=O)c3cc(=O)c4ccccc4[n-]3)ccc2n1 ZINC000346251999 1024573671 /nfs/dbraw/zinc/57/36/71/1024573671.db2.gz MCYLWYOMVPUIQL-UHFFFAOYSA-N -1 0 346.390 3.711 20 0 EHADRM CCCS(=O)(=O)[N-]c1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000538496474 1024666026 /nfs/dbraw/zinc/66/60/26/1024666026.db2.gz LAMGXCBMAVPSOD-ZDUSSCGKSA-N -1 0 336.482 3.567 20 0 EHADRM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cn2)cc1 ZINC000427653807 1024696669 /nfs/dbraw/zinc/69/66/69/1024696669.db2.gz KIVICWRIQAJILT-UHFFFAOYSA-N -1 0 342.367 3.607 20 0 EHADRM COCc1cc(NC(=O)c2ccc3c(c2)CCCC3)cc(C(=O)[O-])c1 ZINC000427680140 1024730019 /nfs/dbraw/zinc/73/00/19/1024730019.db2.gz SBFYRCJINCKIAC-UHFFFAOYSA-N -1 0 339.391 3.662 20 0 EHADRM CC(C)CCC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000064510102 1024734329 /nfs/dbraw/zinc/73/43/29/1024734329.db2.gz NDYFLEANEXGZTG-UHFFFAOYSA-N -1 0 346.452 3.862 20 0 EHADRM COCc1cc(NC(=O)CC/C=C/c2ccccc2)cc(C(=O)[O-])c1 ZINC000427700189 1024742478 /nfs/dbraw/zinc/74/24/78/1024742478.db2.gz YRADBFFUMIVWPY-WEVVVXLNSA-N -1 0 339.391 3.963 20 0 EHADRM CCC(CC)(CNC(=O)Cc1ccccc1C(=O)[O-])c1ccccc1 ZINC000537479996 1033238042 /nfs/dbraw/zinc/23/80/42/1033238042.db2.gz OZBHBVBYZAAHJT-UHFFFAOYSA-N -1 0 339.435 3.802 20 0 EHADRM CCc1oncc1[N-]S(=O)(=O)c1cccc(-c2ccccc2)c1 ZINC000507952326 1024781174 /nfs/dbraw/zinc/78/11/74/1024781174.db2.gz QBPOZJJQSSWSEG-UHFFFAOYSA-N -1 0 328.393 3.705 20 0 EHADRM CCN(Cc1ccc(C)cc1)C(=O)N=c1[n-]nc(CC(C)C)s1 ZINC000514852332 1024804177 /nfs/dbraw/zinc/80/41/77/1024804177.db2.gz YJEXNQOSQVCDOE-UHFFFAOYSA-N -1 0 332.473 3.521 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cccc(Cl)c2C)cnn1CC(C)C ZINC000346497602 1024807812 /nfs/dbraw/zinc/80/78/12/1024807812.db2.gz YVECPVZBCIAQEU-UHFFFAOYSA-N -1 0 341.864 3.610 20 0 EHADRM CC(=O)Nc1cccc(N=c2[n-]nc(SCC[C@H](C)F)s2)c1 ZINC000505665799 1024808267 /nfs/dbraw/zinc/80/82/67/1024808267.db2.gz WUYZYFPZLDQFNT-VIFPVBQESA-N -1 0 340.449 3.502 20 0 EHADRM Cc1nccn1CCSc1n[n-]c(=Nc2cccc(C)c2C)s1 ZINC000536466854 1024882166 /nfs/dbraw/zinc/88/21/66/1024882166.db2.gz IHTIIJFIAJTLCW-UHFFFAOYSA-N -1 0 345.497 3.618 20 0 EHADRM C[C@@H](NC(=O)N(CC(=O)[O-])C1CCCCC1)c1cc2ccccc2o1 ZINC000684713427 1024884295 /nfs/dbraw/zinc/88/42/95/1024884295.db2.gz GEBXJHWKPPDVIQ-CYBMUJFWSA-N -1 0 344.411 3.923 20 0 EHADRM CC(C)(C)c1ccc(CNCc2ncc(Br)cc2[O-])o1 ZINC000895839035 1024884532 /nfs/dbraw/zinc/88/45/32/1024884532.db2.gz JBXMLKFEJPXUTF-UHFFFAOYSA-N -1 0 339.233 3.730 20 0 EHADRM CCc1cccc(C)c1N=c1[n-]nc(SC2CCOCC2)s1 ZINC000508132829 1024908476 /nfs/dbraw/zinc/90/84/76/1024908476.db2.gz DUMUYMKBBZTXSC-UHFFFAOYSA-N -1 0 335.498 3.846 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OCC)cc1 ZINC000014257123 1024922263 /nfs/dbraw/zinc/92/22/63/1024922263.db2.gz QQAPOVGKEZDCSW-UHFFFAOYSA-N -1 0 347.436 3.617 20 0 EHADRM O=S(=O)([N-]c1cc(C2CCCCC2)[nH]n1)c1ccc(Cl)cc1 ZINC000474433293 1024963826 /nfs/dbraw/zinc/96/38/26/1024963826.db2.gz OWWDJYLSFMGEPB-UHFFFAOYSA-N -1 0 339.848 3.912 20 0 EHADRM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(-c2ccccc2)cc1C ZINC000515016914 1024970978 /nfs/dbraw/zinc/97/09/78/1024970978.db2.gz ONWPKWKMDOKUMH-UHFFFAOYSA-N -1 0 341.436 3.803 20 0 EHADRM O=C(COc1ccc(F)c(Cl)c1)Nc1cc(F)cc(Cl)c1[O-] ZINC000474441114 1024975559 /nfs/dbraw/zinc/97/55/59/1024975559.db2.gz YAPICRQSXNFOSK-UHFFFAOYSA-N -1 0 348.132 3.995 20 0 EHADRM Cc1c(C(=O)Nc2cc(F)cc(Cl)c2[O-])cnn1CCC(C)C ZINC000474445379 1024980638 /nfs/dbraw/zinc/98/06/38/1024980638.db2.gz LSVDVBFHRDYBGG-UHFFFAOYSA-N -1 0 339.798 3.988 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000013058981 1024989925 /nfs/dbraw/zinc/98/99/25/1024989925.db2.gz KSUWLFSDJQKTHK-CYBMUJFWSA-N -1 0 347.436 3.628 20 0 EHADRM FC(F)c1n[n-]c(=NCCOc2cccc(Cl)c2Cl)s1 ZINC000515084992 1025003642 /nfs/dbraw/zinc/00/36/42/1025003642.db2.gz HNHWPPNWFNPKJO-UHFFFAOYSA-N -1 0 340.182 3.695 20 0 EHADRM O=C([O-])CN(C(=O)NCc1csc2ccccc12)C1CCCCC1 ZINC000684722035 1025007143 /nfs/dbraw/zinc/00/71/43/1025007143.db2.gz DMAYXAUXZGJRQO-UHFFFAOYSA-N -1 0 346.452 3.830 20 0 EHADRM CCCc1nc(=NC(=O)N[C@@H](C)c2oc3ccccc3c2C)s[n-]1 ZINC000515095251 1025017184 /nfs/dbraw/zinc/01/71/84/1025017184.db2.gz FJAHRKOHXMPBEP-NSHDSACASA-N -1 0 344.440 3.850 20 0 EHADRM C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)N=c2[n-]nc(-c3ccsc3)s2)C1 ZINC000474479477 1025017275 /nfs/dbraw/zinc/01/72/75/1025017275.db2.gz RCVSAFKDUUQQAO-MXWKQRLJSA-N -1 0 336.486 3.587 20 0 EHADRM CC(C)Oc1ccc([C@H](C)NC(=O)N2CCCCC[C@@H]2C(=O)[O-])cc1 ZINC000684727649 1025069302 /nfs/dbraw/zinc/06/93/02/1025069302.db2.gz YQCPQGAZKNLTKD-WMLDXEAASA-N -1 0 348.443 3.574 20 0 EHADRM CC(C)Oc1ccc([C@H](C)NC(=O)N2CCCCC[C@H]2C(=O)[O-])cc1 ZINC000684727650 1025070622 /nfs/dbraw/zinc/07/06/22/1025070622.db2.gz YQCPQGAZKNLTKD-YOEHRIQHSA-N -1 0 348.443 3.574 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N(C)[C@H]2CCCc3ccccc32)s1 ZINC000515227354 1025095992 /nfs/dbraw/zinc/09/59/92/1025095992.db2.gz GYFFVYUPYZVQRS-ZDUSSCGKSA-N -1 0 348.497 3.613 20 0 EHADRM CCOc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000071977700 1025097862 /nfs/dbraw/zinc/09/78/62/1025097862.db2.gz UAXFVNFBAAAEEE-UHFFFAOYSA-N -1 0 329.780 3.679 20 0 EHADRM COc1cc(C)c([N-]S(=O)(=O)c2cccc3cccnc32)cc1C ZINC000435717610 1025104301 /nfs/dbraw/zinc/10/43/01/1025104301.db2.gz PFHMWUDBMJRWJQ-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000366890408 1025111316 /nfs/dbraw/zinc/11/13/16/1025111316.db2.gz DCGRQQLEKMIJBU-NVXWUHKLSA-N -1 0 346.430 3.936 20 0 EHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000435736169 1025114341 /nfs/dbraw/zinc/11/43/41/1025114341.db2.gz UMNPJTJZJMQOSF-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CCCN(C(=O)N[C@@H]1c2cc(C)ccc2C[C@H]1C)[C@H](CC)C(=O)[O-] ZINC000684739905 1025149670 /nfs/dbraw/zinc/14/96/70/1025149670.db2.gz GIAJUFXZGNTRNE-XYPHTWIQSA-N -1 0 332.444 3.513 20 0 EHADRM CCc1cccc(C)c1N=c1[n-]nc(SC[C@@H]2CCOC2)s1 ZINC000515289385 1025153992 /nfs/dbraw/zinc/15/39/92/1025153992.db2.gz GRARFSORRQWZGC-GFCCVEGCSA-N -1 0 335.498 3.703 20 0 EHADRM O=C([O-])CN(C(=O)Nc1ccc(OC(F)F)cc1)C1CCCCC1 ZINC000684742445 1025186575 /nfs/dbraw/zinc/18/65/75/1025186575.db2.gz QYEZSKDTFAXSQQ-UHFFFAOYSA-N -1 0 342.342 3.539 20 0 EHADRM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1ccccc1Oc1ccccc1 ZINC000521059921 1025191747 /nfs/dbraw/zinc/19/17/47/1025191747.db2.gz PJCRYPLVHGOTRH-INIZCTEOSA-N -1 0 347.436 3.790 20 0 EHADRM Cc1ccccc1NC(=O)N1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000555767915 1025248479 /nfs/dbraw/zinc/24/84/79/1025248479.db2.gz JPSJVVPHJGFTSZ-DOTOQJQBSA-N -1 0 330.428 3.882 20 0 EHADRM CCCN(C(=O)N=c1[n-]nc(CC)s1)[C@H](CC)c1ccccc1 ZINC000521190533 1025251810 /nfs/dbraw/zinc/25/18/10/1025251810.db2.gz DSALJBCYOSYQQJ-CQSZACIVSA-N -1 0 332.473 3.918 20 0 EHADRM CCCn1ccc2ccc(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)cc21 ZINC000684748521 1025257365 /nfs/dbraw/zinc/25/73/65/1025257365.db2.gz MWDGAFQGQUAILZ-OAHLLOKOSA-N -1 0 331.416 3.672 20 0 EHADRM C/C=C\C[C@@H](NC(=O)Nc1ccc2ccn(CCC)c2c1)C(=O)[O-] ZINC000684748856 1025257428 /nfs/dbraw/zinc/25/74/28/1025257428.db2.gz QTOGMBQOLZDZCW-UYWPIULCSA-N -1 0 329.400 3.592 20 0 EHADRM Cc1noc(C)c1[C@@H](C)CNC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000521365617 1025348887 /nfs/dbraw/zinc/34/88/87/1025348887.db2.gz BCKHOZIORSIVRI-QMMMGPOBSA-N -1 0 342.317 3.549 20 0 EHADRM C[C@H]1CC[C@H](c2ccccc2)N(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC000614727534 1025364780 /nfs/dbraw/zinc/36/47/80/1025364780.db2.gz HSDZYJWFTQECGG-SWLSCSKDSA-N -1 0 337.379 3.542 20 0 EHADRM O=C([N-]OCC(F)F)[C@@H](Sc1ccc(F)cc1)c1ccccc1 ZINC000759335985 1025399393 /nfs/dbraw/zinc/39/93/93/1025399393.db2.gz FKFBNXSMAMUGLD-HNNXBMFYSA-N -1 0 341.354 3.972 20 0 EHADRM O=C([N-]OCC(F)F)[C@H](Sc1ccc(F)cc1)c1ccccc1 ZINC000759335986 1025400565 /nfs/dbraw/zinc/40/05/65/1025400565.db2.gz FKFBNXSMAMUGLD-OAHLLOKOSA-N -1 0 341.354 3.972 20 0 EHADRM CCC[C@H](C(=O)[O-])[S@@](=O)[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000574496715 1033281536 /nfs/dbraw/zinc/28/15/36/1033281536.db2.gz REWKSSNPXMMTAL-SYSCSRKKSA-N -1 0 338.347 3.648 20 0 EHADRM Cc1cscc1[N-]S(=O)(=O)c1cc(C)cc(Br)c1 ZINC000436175320 1025446453 /nfs/dbraw/zinc/44/64/53/1025446453.db2.gz AAFVDFQWCLWYJA-UHFFFAOYSA-N -1 0 346.271 3.928 20 0 EHADRM CC(C)Oc1ccccc1[C@H](C)NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000324388741 1025469420 /nfs/dbraw/zinc/46/94/20/1025469420.db2.gz PIRIOCMMVVWRNK-AWEZNQCLSA-N -1 0 333.428 3.686 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1csc2c1CCCC2)c1cccs1 ZINC000238185621 1033286308 /nfs/dbraw/zinc/28/63/08/1033286308.db2.gz WQEKDSQEAGWFTQ-GFCCVEGCSA-N -1 0 335.450 3.634 20 0 EHADRM CCCCOc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000515699063 1025505072 /nfs/dbraw/zinc/50/50/72/1025505072.db2.gz CSZILNIIFCHGBH-UHFFFAOYSA-N -1 0 349.452 3.983 20 0 EHADRM COc1ccc2occ(C(=O)Nc3cc(C(C)=O)ccc3[O-])c2c1 ZINC000442889905 1025569946 /nfs/dbraw/zinc/56/99/46/1025569946.db2.gz GHJYRUAHRIQPJJ-UHFFFAOYSA-N -1 0 325.320 3.602 20 0 EHADRM CC(C)c1ncsc1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000451104906 1025570028 /nfs/dbraw/zinc/57/00/28/1025570028.db2.gz SWJQEKOMBCLJPV-UHFFFAOYSA-N -1 0 334.825 3.860 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC)C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000347188229 1025635652 /nfs/dbraw/zinc/63/56/52/1025635652.db2.gz CAFZWGAQKXIUKE-KRWDZBQOSA-N -1 0 335.407 3.537 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)N1CCC[C@H]1c1ccccc1Cl ZINC000321353836 1025645893 /nfs/dbraw/zinc/64/58/93/1025645893.db2.gz YNCZSSZOBDHLRD-ZENOOKHLSA-N -1 0 333.815 3.671 20 0 EHADRM O=S(=O)([N-]c1ccc2oc3ccccc3c2c1)c1cncc(F)c1 ZINC000522829351 1025713184 /nfs/dbraw/zinc/71/31/84/1025713184.db2.gz RYVXRGPVITZMLR-UHFFFAOYSA-N -1 0 342.351 3.921 20 0 EHADRM Cc1nc(C)c(C(=O)Nc2cc(Br)cc(Cl)c2[O-])o1 ZINC000342472683 1025729642 /nfs/dbraw/zinc/72/96/42/1025729642.db2.gz KEZXNCZBTDQWKQ-UHFFFAOYSA-N -1 0 345.580 3.665 20 0 EHADRM CCCC[C@@H](NC(=O)c1cccc(OC2CCCCC2)c1)C(=O)[O-] ZINC000347257956 1025749209 /nfs/dbraw/zinc/74/92/09/1025749209.db2.gz IYZHPUWBMFRTKH-QGZVFWFLSA-N -1 0 333.428 3.771 20 0 EHADRM CCCC[C@@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C)C(=O)[O-] ZINC000347260161 1025754185 /nfs/dbraw/zinc/75/41/85/1025754185.db2.gz LHHFHXTXJBPDKL-GOEBONIOSA-N -1 0 335.444 3.645 20 0 EHADRM C[C@@H](CC(C)(C)C)NC(=O)c1cc(Br)cc(F)c1[O-] ZINC001141904582 1025768907 /nfs/dbraw/zinc/76/89/07/1025768907.db2.gz VUWFTFWFYZXZNQ-QMMMGPOBSA-N -1 0 332.213 3.848 20 0 EHADRM CCCC[C@H](NC(=O)c1cc(C2CC2)nc2ccc(F)cc21)C(=O)[O-] ZINC000347268644 1025774713 /nfs/dbraw/zinc/77/47/13/1025774713.db2.gz ZDSOBRJFKXNPMW-INIZCTEOSA-N -1 0 344.386 3.625 20 0 EHADRM CCc1ccc(S(=O)(=O)C(C)=C([O-])c2ccc3c(c2)CCC3)cc1 ZINC000521936852 1025801961 /nfs/dbraw/zinc/80/19/61/1025801961.db2.gz HQHOSRPOWROLAM-CQSZACIVSA-N -1 0 342.460 3.783 20 0 EHADRM Cc1csc(NC(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])n1 ZINC000303946900 1025846004 /nfs/dbraw/zinc/84/60/04/1025846004.db2.gz YGSKMXVRHWFFGH-UHFFFAOYSA-N -1 0 342.424 3.719 20 0 EHADRM CCc1cc([N-]S(=O)(=O)c2cccnc2C(F)(F)F)ccc1C ZINC000582322807 1025863058 /nfs/dbraw/zinc/86/30/58/1025863058.db2.gz ZWUBSYVQIPQFFM-UHFFFAOYSA-N -1 0 344.358 3.772 20 0 EHADRM Cc1cn2cc(NC(=O)c3c([O-])cc(Cl)cc3Cl)ccc2n1 ZINC000436537125 1025866035 /nfs/dbraw/zinc/86/60/35/1025866035.db2.gz FVKCNZSUQBFGAZ-UHFFFAOYSA-N -1 0 336.178 3.907 20 0 EHADRM O=C(N[C@H](c1nccs1)C(F)(F)F)c1ccc([O-])c(Cl)c1 ZINC000436560868 1025886619 /nfs/dbraw/zinc/88/66/19/1025886619.db2.gz FYOQGLRYPCHXSC-SECBINFHSA-N -1 0 336.722 3.536 20 0 EHADRM C[C@H](NC(=O)c1cc(Cl)c2ccccc2c1[O-])[C@H]1CCCOC1 ZINC000436573709 1025904916 /nfs/dbraw/zinc/90/49/16/1025904916.db2.gz CXOJXSDYYQCBID-RYUDHWBXSA-N -1 0 333.815 3.744 20 0 EHADRM CCc1ccnc(-c2noc(-c3ccc(Br)cc3[O-])n2)c1 ZINC000436597035 1025913614 /nfs/dbraw/zinc/91/36/14/1025913614.db2.gz SNWITIBFZDYMAV-UHFFFAOYSA-N -1 0 346.184 3.829 20 0 EHADRM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451399942 1025927821 /nfs/dbraw/zinc/92/78/21/1025927821.db2.gz MWRKZGNXPREZNP-JTQLQIEISA-N -1 0 339.310 3.581 20 0 EHADRM C[C@@H]1C(=O)CC[C@H](C(=O)Nc2cc(Cl)c([O-])cc2F)C1(C)C ZINC000287118317 1025951585 /nfs/dbraw/zinc/95/15/85/1025951585.db2.gz YOTWDTLSMWHEGP-RKDXNWHRSA-N -1 0 327.783 3.765 20 0 EHADRM C[C@H]1C[C@H](C)CN(C(=O)c2cc(Cl)cc(Br)c2[O-])C1 ZINC000436625300 1025951730 /nfs/dbraw/zinc/95/17/30/1025951730.db2.gz DHWVQEPQAHSLJD-IUCAKERBSA-N -1 0 346.652 3.926 20 0 EHADRM CC[C@@H]1CCc2nc(NC(=O)c3cc(F)c([O-])c(F)c3)sc2C1 ZINC000436626801 1025954002 /nfs/dbraw/zinc/95/40/02/1025954002.db2.gz LBMZHBSJIAGKEB-MRVPVSSYSA-N -1 0 338.379 3.894 20 0 EHADRM O=C(NCC1(c2ccccc2)CCCC1)c1cc(F)c([O-])c(F)c1 ZINC000436629651 1025957929 /nfs/dbraw/zinc/95/79/29/1025957929.db2.gz WLHUFNOOJAFGDK-UHFFFAOYSA-N -1 0 331.362 3.912 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)COc2cccc(Cl)c2)c1 ZINC000436651188 1025979541 /nfs/dbraw/zinc/97/95/41/1025979541.db2.gz DLRUXFWYTXKSJJ-UHFFFAOYSA-N -1 0 333.771 3.656 20 0 EHADRM O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)c1cc(Cl)c2ccccc2c1[O-] ZINC000436657073 1025985388 /nfs/dbraw/zinc/98/53/88/1025985388.db2.gz OZDPKJRISOWCME-SJKOYZFVSA-N -1 0 345.826 3.886 20 0 EHADRM O=C(Nc1cnn(Cc2ccccc2)c1)c1cc(F)cc(Cl)c1[O-] ZINC000436640659 1025989214 /nfs/dbraw/zinc/98/92/14/1025989214.db2.gz YRAXQQCNIHAYQZ-UHFFFAOYSA-N -1 0 345.761 3.682 20 0 EHADRM Cc1cc(Nc2ccc(S(=O)(=O)C(C)C)cc2)cc(C(=O)[O-])c1 ZINC001211543224 1026001531 /nfs/dbraw/zinc/00/15/31/1026001531.db2.gz ZOBISGBXZRXPDX-UHFFFAOYSA-N -1 0 333.409 3.619 20 0 EHADRM Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1cc(Cl)ccc1O ZINC000436694676 1026052463 /nfs/dbraw/zinc/05/24/63/1026052463.db2.gz HTZUJYBOWSNHRZ-SNVBAGLBSA-N -1 0 335.835 3.797 20 0 EHADRM C[C@@H]1C[C@@H](CNC(=O)c2cc(Cl)c3ccccc3c2[O-])CCO1 ZINC000436713102 1026082413 /nfs/dbraw/zinc/08/24/13/1026082413.db2.gz AUZAIIYBZPFYTB-NEPJUHHUSA-N -1 0 333.815 3.744 20 0 EHADRM O=C(Nc1cc(F)ccc1O)c1cccc(Br)c1F ZINC000192192615 1026117963 /nfs/dbraw/zinc/11/79/63/1026117963.db2.gz UPBSRIBNGKCOLY-UHFFFAOYSA-N -1 0 328.112 3.685 20 0 EHADRM O=C(N[C@@H]1CCOc2c(F)cccc21)c1cc(F)cc(Cl)c1[O-] ZINC000436773648 1026150070 /nfs/dbraw/zinc/15/00/70/1026150070.db2.gz KAULVXFXTXBMNK-CYBMUJFWSA-N -1 0 339.725 3.577 20 0 EHADRM COc1c(Cl)cc(NC(=O)c2ccc(C(=O)[O-])o2)cc1Cl ZINC000347357940 1026208840 /nfs/dbraw/zinc/20/88/40/1026208840.db2.gz YRELSJPTPJHKRJ-UHFFFAOYSA-N -1 0 330.123 3.546 20 0 EHADRM CC(C)(C)C(=O)Nc1ccc(-c2ccccc2CCC(=O)[O-])cn1 ZINC000582431435 1026245427 /nfs/dbraw/zinc/24/54/27/1026245427.db2.gz DTBQFROXJUEUCJ-UHFFFAOYSA-N -1 0 326.396 3.750 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000277601664 1026263056 /nfs/dbraw/zinc/26/30/56/1026263056.db2.gz OSJHUELGQZFXFG-QMMMGPOBSA-N -1 0 330.331 3.531 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc3nc(C)oc3c2)sc1Cl ZINC000190222553 1026338437 /nfs/dbraw/zinc/33/84/37/1026338437.db2.gz JZQZETRQCSTITB-UHFFFAOYSA-N -1 0 342.829 3.960 20 0 EHADRM C[C@@H]1c2ccccc2CCN1C(=O)c1cccc(Br)c1[O-] ZINC000530886318 1026394493 /nfs/dbraw/zinc/39/44/93/1026394493.db2.gz HHGQXXNMXSJPRV-LLVKDONJSA-N -1 0 346.224 3.914 20 0 EHADRM C[C@@H]1COCC[C@@H]1C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000192845057 1026398437 /nfs/dbraw/zinc/39/84/37/1026398437.db2.gz LZAXHAMBVWMKMY-RQJHMYQMSA-N -1 0 338.618 3.964 20 0 EHADRM CCC(C)(C)N(C)C(=O)N(CCC(=O)[O-])Cc1cccc(Cl)c1 ZINC000684895553 1026448098 /nfs/dbraw/zinc/44/80/98/1026448098.db2.gz BWIYKUGFOHCUQY-UHFFFAOYSA-N -1 0 340.851 3.857 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000531003424 1026464763 /nfs/dbraw/zinc/46/47/63/1026464763.db2.gz OOHUGLNMXDZYEY-KBPBESRZSA-N -1 0 349.356 3.873 20 0 EHADRM C[C@H](Sc1ccccc1)c1ccc(NC(=O)c2n[nH]c(=O)[n-]2)cc1 ZINC000530991238 1026468006 /nfs/dbraw/zinc/46/80/06/1026468006.db2.gz KTGBCFQVDDVCPR-NSHDSACASA-N -1 0 340.408 3.616 20 0 EHADRM O=S(=O)([N-]c1cc(-c2ccccc2)[nH]n1)c1cc2ccccc2o1 ZINC000531019147 1026473810 /nfs/dbraw/zinc/47/38/10/1026473810.db2.gz WZJCOYDWSVKACO-UHFFFAOYSA-N -1 0 339.376 3.624 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCC[C@](C)(F)C3)n2)c1 ZINC000452195879 1026566389 /nfs/dbraw/zinc/56/63/89/1026566389.db2.gz PHZRFWPUMWSIGT-IBGZPJMESA-N -1 0 345.418 3.666 20 0 EHADRM CCOC(=O)CCc1cccc(Nc2cc(C)cc(C(=O)[O-])c2)c1 ZINC001211549566 1026647551 /nfs/dbraw/zinc/64/75/51/1026647551.db2.gz NKDLPDDTUVFGHN-UHFFFAOYSA-N -1 0 327.380 3.933 20 0 EHADRM O=C(Nc1ccncc1F)c1c(F)cc(Br)cc1F ZINC000122701008 1026700589 /nfs/dbraw/zinc/70/05/89/1026700589.db2.gz UNOPMNGLGCFPEC-UHFFFAOYSA-N -1 0 331.091 3.514 20 0 EHADRM COc1ccc2c(c1)CCCN(C(=O)c1ccc([O-])c(Cl)c1)C2 ZINC000560338506 1026801462 /nfs/dbraw/zinc/80/14/62/1026801462.db2.gz DEQVUWPNKOSZOB-UHFFFAOYSA-N -1 0 331.799 3.643 20 0 EHADRM CC(C)c1n[n-]c(=NCc2cc(Cl)cc(Br)c2)o1 ZINC000413510982 1026837132 /nfs/dbraw/zinc/83/71/32/1026837132.db2.gz IZTMUTSKSYMOCA-UHFFFAOYSA-N -1 0 330.613 3.643 20 0 EHADRM CSc1ccc(C)c([N-]S(=O)(=O)c2sc(C)nc2C)c1 ZINC000342778514 1027019946 /nfs/dbraw/zinc/01/99/46/1027019946.db2.gz LUTAPTXVVIRYBO-UHFFFAOYSA-N -1 0 328.484 3.591 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cc(C)sc2C)cc1C ZINC000342781933 1027025611 /nfs/dbraw/zinc/02/56/11/1027025611.db2.gz OLQRYIFUFKGCON-SECBINFHSA-N -1 0 327.475 3.642 20 0 EHADRM Cc1ccc(-c2noc([N-][C@@H]3CCCn4nc(C(C)C)nc43)n2)cc1 ZINC000302060177 1027038519 /nfs/dbraw/zinc/03/85/19/1027038519.db2.gz QZBXLRCJHYEKHL-CQSZACIVSA-N -1 0 338.415 3.707 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CC[C@H](COc2ccccc2)C1 ZINC000272806326 1027124634 /nfs/dbraw/zinc/12/46/34/1027124634.db2.gz KDDDJWJPBYCCKZ-LBPRGKRZSA-N -1 0 349.789 3.726 20 0 EHADRM CCO[C@@H](CC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1)C1=CCCC1 ZINC000414446129 1027397054 /nfs/dbraw/zinc/39/70/54/1027397054.db2.gz IUFQVKTVBGAMAA-GUYCJALGSA-N -1 0 331.412 3.719 20 0 EHADRM CN(CC(F)(F)F)C(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000320886962 1027464601 /nfs/dbraw/zinc/46/46/01/1027464601.db2.gz YBXLURODDIJJQU-UHFFFAOYSA-N -1 0 326.274 3.564 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2c(C)cc(C)nc2C)sc1Cl ZINC000414455198 1027531343 /nfs/dbraw/zinc/53/13/43/1027531343.db2.gz HIWGDJBAFBFUAT-UHFFFAOYSA-N -1 0 330.862 3.831 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000261863729 1027546739 /nfs/dbraw/zinc/54/67/39/1027546739.db2.gz GIBVJESGYFDVHZ-BZNIZROVSA-N -1 0 341.860 3.534 20 0 EHADRM CC(C)n1ncc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c1C1CC1 ZINC000414457828 1027592768 /nfs/dbraw/zinc/59/27/68/1027592768.db2.gz VMBVFTLPZXURMJ-LBPRGKRZSA-N -1 0 341.411 3.782 20 0 EHADRM FC(F)(F)c1nc(=N[C@H]2CCCOc3cc(Cl)ccc32)s[n-]1 ZINC000514622717 1027593892 /nfs/dbraw/zinc/59/38/92/1027593892.db2.gz PUEOTQYPPBCHKM-VIFPVBQESA-N -1 0 349.765 3.958 20 0 EHADRM CC(C)[C@H](NC(=O)c1cc(=O)n(C)[n-]1)c1ccc(C(C)(C)C)cc1 ZINC000665819026 1027716694 /nfs/dbraw/zinc/71/66/94/1027716694.db2.gz ZLAGMQDVJXGTDA-KRWDZBQOSA-N -1 0 329.444 3.550 20 0 EHADRM CCSCc1cccc(NC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1 ZINC000422543457 1027783543 /nfs/dbraw/zinc/78/35/43/1027783543.db2.gz RZAZMPRAGKQMPN-TZMCWYRMSA-N -1 0 336.457 3.514 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cccc(OC2CCCCC2)c1 ZINC000422581490 1027807354 /nfs/dbraw/zinc/80/73/54/1027807354.db2.gz QCWVEXKZJSLCHA-GDBMZVCRSA-N -1 0 345.439 3.723 20 0 EHADRM CC(C)[C@@H]1CCN1C(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1 ZINC000455179228 1027816753 /nfs/dbraw/zinc/81/67/53/1027816753.db2.gz LMAQMQAGFAWFBQ-LBPRGKRZSA-N -1 0 336.848 3.543 20 0 EHADRM CC(C)(C)c1ccc(SCC(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000532678613 1027899163 /nfs/dbraw/zinc/89/91/63/1027899163.db2.gz NFNWENCKTGOWBI-CQSZACIVSA-N -1 0 349.496 3.790 20 0 EHADRM O=S(=O)([N-]c1cccc(-c2cc[nH]n2)c1)c1ccccc1Cl ZINC000031534765 1027983274 /nfs/dbraw/zinc/98/32/74/1027983274.db2.gz QNJWJAWTNXRFDD-UHFFFAOYSA-N -1 0 333.800 3.531 20 0 EHADRM O=C(c1c([O-])cc(Cl)cc1Cl)N1CCO[C@H](c2ccco2)C1 ZINC000133236938 1028011164 /nfs/dbraw/zinc/01/11/64/1028011164.db2.gz LPZRFYPEOCZFHU-ZDUSSCGKSA-N -1 0 342.178 3.506 20 0 EHADRM COc1cc(NC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)cc(OC)c1 ZINC000523296902 1028117419 /nfs/dbraw/zinc/11/74/19/1028117419.db2.gz PPPRYXJYALMMQA-LJQANCHMSA-N -1 0 349.427 3.704 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)NCc1cc(F)cc(F)c1)C1CCCCC1 ZINC000523297629 1028120911 /nfs/dbraw/zinc/12/09/11/1028120911.db2.gz CWNWWKHFTMVOSE-GOSISDBHSA-N -1 0 339.382 3.642 20 0 EHADRM CCc1oncc1[N-]S(=O)(=O)c1c(C)sc2c1cccc2C ZINC000421145549 1028131107 /nfs/dbraw/zinc/13/11/07/1028131107.db2.gz AICZBTUKBZSIOO-UHFFFAOYSA-N -1 0 336.438 3.869 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1Cl ZINC000614841645 1028159202 /nfs/dbraw/zinc/15/92/02/1028159202.db2.gz WXISKSMYPFNAJA-UHFFFAOYSA-N -1 0 347.770 3.818 20 0 EHADRM Cc1nc(Br)cnc1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211961030 1028196305 /nfs/dbraw/zinc/19/63/05/1028196305.db2.gz SJTMCNNWYRANGM-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM CC(C)CC(=O)Nc1ccc(NC(=O)CC2(C(=O)[O-])CCCC2)cc1 ZINC000078796848 1028196561 /nfs/dbraw/zinc/19/65/61/1028196561.db2.gz XJPBAISFUJMQAS-UHFFFAOYSA-N -1 0 346.427 3.645 20 0 EHADRM Cc1cc(C)c2c(Nc3cc(Cl)cc(C(=O)[O-])c3)nn(C)c2n1 ZINC001211961156 1028197460 /nfs/dbraw/zinc/19/74/60/1028197460.db2.gz XQIJYEPEZZKDSR-UHFFFAOYSA-N -1 0 330.775 3.680 20 0 EHADRM O=C([O-])c1cc(-c2ccc3c(c2)C2(CCCC2)C(=O)N3)ccc1F ZINC000582915269 1028244542 /nfs/dbraw/zinc/24/45/42/1028244542.db2.gz FVMWZWOGLWGFNP-UHFFFAOYSA-N -1 0 325.339 3.955 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2c[nH]nc2C2CC2)cc1 ZINC000582917107 1028252315 /nfs/dbraw/zinc/25/23/15/1028252315.db2.gz YXWDWFGOZZMWHV-UHFFFAOYSA-N -1 0 333.457 3.776 20 0 EHADRM COCCOc1ccc(F)cc1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211965271 1028272089 /nfs/dbraw/zinc/27/20/89/1028272089.db2.gz WXFSEIRGZBBXFM-UHFFFAOYSA-N -1 0 339.750 3.946 20 0 EHADRM CCc1cccc(NC(=O)N=c2[n-]nc(-c3ccsc3)s2)c1 ZINC000502586702 1028381755 /nfs/dbraw/zinc/38/17/55/1028381755.db2.gz RXIMYDFAAXIDJB-UHFFFAOYSA-N -1 0 330.438 3.895 20 0 EHADRM Cc1cc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)c(C)n1C1CC1 ZINC000139454109 1028386842 /nfs/dbraw/zinc/38/68/42/1028386842.db2.gz HXBGMCAWLPFABQ-GOSISDBHSA-N -1 0 340.423 3.776 20 0 EHADRM COC(=O)c1nc2c(cccc2Nc2cc(Cl)cc(C(=O)[O-])c2)o1 ZINC001211969537 1028438012 /nfs/dbraw/zinc/43/80/12/1028438012.db2.gz OHVAVQBBFRYDNB-UHFFFAOYSA-N -1 0 346.726 3.710 20 0 EHADRM CCOC(=O)Cc1ccccc1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211969812 1028438053 /nfs/dbraw/zinc/43/80/53/1028438053.db2.gz ZNICYIJDLYIPKB-UHFFFAOYSA-N -1 0 333.771 3.887 20 0 EHADRM CC[C@@H]1CCCN1C(=O)N=c1[n-]nc(SCc2ccccc2)s1 ZINC000523586637 1028454705 /nfs/dbraw/zinc/45/47/05/1028454705.db2.gz YCEVOYRPSNNEQK-CYBMUJFWSA-N -1 0 348.497 3.659 20 0 EHADRM COCc1cccc(NC(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)c1 ZINC000237230429 1028527572 /nfs/dbraw/zinc/52/75/72/1028527572.db2.gz UIWUMXAUTGKRRE-IBGZPJMESA-N -1 0 333.428 3.833 20 0 EHADRM O=C(N[C@H]1CCOc2ccc(F)cc21)c1cc(F)c([O-])c(Cl)c1 ZINC000194661751 1028531977 /nfs/dbraw/zinc/53/19/77/1028531977.db2.gz FFRAFQAHPHVXLZ-ZDUSSCGKSA-N -1 0 339.725 3.577 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000236679239 1028561490 /nfs/dbraw/zinc/56/14/90/1028561490.db2.gz XNPBAROWMMBJOJ-ROUUACIJSA-N -1 0 325.408 3.513 20 0 EHADRM Cc1ccc2c(CC(=O)N(CCC(=O)[O-])CC(C)C)coc2c1C ZINC000236720355 1028577422 /nfs/dbraw/zinc/57/74/22/1028577422.db2.gz JFJYPEBLWAICCL-UHFFFAOYSA-N -1 0 331.412 3.551 20 0 EHADRM Cc1cc2[nH]c(C(=O)N=c3nc(-c4ccccc4)[n-]s3)cc2c(C)c1 ZINC000502706805 1028581267 /nfs/dbraw/zinc/58/12/67/1028581267.db2.gz SLVKFSQRXQOWGE-UHFFFAOYSA-N -1 0 348.431 3.977 20 0 EHADRM CCN(C(=O)c1ccc(C(=O)[O-])o1)[C@@H](C)c1cc2ccccc2o1 ZINC000237030724 1028617739 /nfs/dbraw/zinc/61/77/39/1028617739.db2.gz XJHJVTVBIXYUPT-NSHDSACASA-N -1 0 327.336 3.947 20 0 EHADRM Cc1cc(-c2nc(C(=O)[O-])c(Cl)s2)ccc1O[C@H]1CCOC1 ZINC000583035791 1028619675 /nfs/dbraw/zinc/61/96/75/1028619675.db2.gz SKUUWSGQRICAEY-JTQLQIEISA-N -1 0 339.800 3.638 20 0 EHADRM CSc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)cc1 ZINC000237310924 1028647484 /nfs/dbraw/zinc/64/74/84/1028647484.db2.gz CVISUFPOZOYPGG-INIZCTEOSA-N -1 0 329.421 3.663 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000237834961 1028668073 /nfs/dbraw/zinc/66/80/73/1028668073.db2.gz MSNVGGOVWPUBBD-KBMXLJTQSA-N -1 0 341.407 3.908 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)o1 ZINC000238031783 1028673439 /nfs/dbraw/zinc/67/34/39/1028673439.db2.gz DRKIBLSWYUGLIV-SNVBAGLBSA-N -1 0 340.162 3.702 20 0 EHADRM Cc1c(NC(=O)c2cc(=O)c3ccccc3[n-]2)cnn1C1CCCC1 ZINC000278053888 1028702777 /nfs/dbraw/zinc/70/27/77/1028702777.db2.gz XJLANARMWUKBFX-UHFFFAOYSA-N -1 0 336.395 3.813 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)n1 ZINC000504517777 1028708080 /nfs/dbraw/zinc/70/80/80/1028708080.db2.gz GALGKPXCXLOZOR-UHFFFAOYSA-N -1 0 340.470 3.522 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)c2ccc(OCC)cc2C)n1 ZINC000504525255 1028711420 /nfs/dbraw/zinc/71/14/20/1028711420.db2.gz WKNGYCVGMZDEIA-UHFFFAOYSA-N -1 0 340.470 3.604 20 0 EHADRM CO[C@@H](C)c1nc(=Nc2ccc(Oc3cccnc3)c(C)c2)s[n-]1 ZINC000509677129 1028721091 /nfs/dbraw/zinc/72/10/91/1028721091.db2.gz FHKKZGWSTYQOPF-LBPRGKRZSA-N -1 0 342.424 3.907 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2c(F)cc(C)cc2F)cc1C ZINC000424061512 1028781888 /nfs/dbraw/zinc/78/18/88/1028781888.db2.gz JEJMFYQFGZICFY-JTQLQIEISA-N -1 0 343.399 3.550 20 0 EHADRM Cc1ccc(C)c(C(=O)NC[C@@H](c2ccccc2)C2CC2)c1C(=O)[O-] ZINC000634838056 1028812255 /nfs/dbraw/zinc/81/22/55/1028812255.db2.gz XNXFVWWTVPLLGJ-KRWDZBQOSA-N -1 0 337.419 3.925 20 0 EHADRM C/C=C\c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000583105215 1028829819 /nfs/dbraw/zinc/82/98/19/1028829819.db2.gz SDJWVGQDTPKCFZ-ARJAWSKDSA-N -1 0 331.393 3.527 20 0 EHADRM COc1ccccc1-c1nc(CN2CCC[C@H](C)[C@H]2C(=O)[O-])cs1 ZINC000424267571 1028922220 /nfs/dbraw/zinc/92/22/20/1028922220.db2.gz KIWZLYZWHRJAEI-LRDDRELGSA-N -1 0 346.452 3.504 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(c2nc3ccccc3[nH]2)CC1 ZINC000583148887 1029019205 /nfs/dbraw/zinc/01/92/05/1029019205.db2.gz SDJVLOKYFJDQST-UHFFFAOYSA-N -1 0 335.407 3.720 20 0 EHADRM CC(C)(CCNC(=O)N1CCCC[C@H]1CCc1ccccc1)C(=O)[O-] ZINC000424408112 1029054038 /nfs/dbraw/zinc/05/40/38/1029054038.db2.gz UXEUBPLEMYQNAB-KRWDZBQOSA-N -1 0 346.471 3.684 20 0 EHADRM CC(C)COc1ccc(C(=O)N=c2nc(C(C)(C)C)[n-]s2)cc1 ZINC000524318982 1029081815 /nfs/dbraw/zinc/08/18/15/1029081815.db2.gz AAFHGCHIOZJPOF-UHFFFAOYSA-N -1 0 333.457 3.545 20 0 EHADRM O=C([O-])[C@H](CNC(=O)CCC1CCC1)Cc1cccc2ccccc21 ZINC000431525387 1029173865 /nfs/dbraw/zinc/17/38/65/1029173865.db2.gz UIRSUASIEICCGO-SFHVURJKSA-N -1 0 339.435 3.780 20 0 EHADRM CC(C)[C@H](C(=O)[O-])[C@H](C)[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000424615281 1029203916 /nfs/dbraw/zinc/20/39/16/1029203916.db2.gz DIBACMPKBWXQEV-GUYCJALGSA-N -1 0 348.468 3.557 20 0 EHADRM Cc1[nH]c2c(cccc2C(=O)N=c2nc(-c3ccccc3)[n-]s2)c1C ZINC000524479722 1029239681 /nfs/dbraw/zinc/23/96/81/1029239681.db2.gz SJHFUKTXTHGAGQ-UHFFFAOYSA-N -1 0 348.431 3.977 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N2CC[C@@H]2C(C)C)s1)c1ccccc1 ZINC000454733416 1029248468 /nfs/dbraw/zinc/24/84/68/1029248468.db2.gz JMHVBTZMKOKDOU-HUUCEWRRSA-N -1 0 344.484 3.764 20 0 EHADRM CCc1ccc(C([O-])=C(C)S(=O)(=O)c2ccc(CC)cc2)cc1 ZINC000583224873 1029315429 /nfs/dbraw/zinc/31/54/29/1029315429.db2.gz UWRCUYWNGSPCRV-AWEZNQCLSA-N -1 0 330.449 3.857 20 0 EHADRM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc2ccccc2n1 ZINC000524558796 1029317832 /nfs/dbraw/zinc/31/78/32/1029317832.db2.gz UVMIZCZIDNBXGV-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1cscc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000161606589 1029367124 /nfs/dbraw/zinc/36/71/24/1029367124.db2.gz CIQAXCWLSKWYBF-UHFFFAOYSA-N -1 0 346.817 3.727 20 0 EHADRM CC(C)c1nc(C=Cc2c[nH]c(-c3ccccc3)n2)ncc1C(=O)[O-] ZINC000255419103 1029370701 /nfs/dbraw/zinc/37/07/01/1029370701.db2.gz DSJAKEDWEWMPTI-HJWRWDBZSA-N -1 0 334.379 3.859 20 0 EHADRM CCc1n[n-]c(=NC(=O)c2sc3cc(C)c(C)cc3c2C)s1 ZINC000446104783 1029396282 /nfs/dbraw/zinc/39/62/82/1029396282.db2.gz WFWMJPASAIWMRZ-UHFFFAOYSA-N -1 0 331.466 3.915 20 0 EHADRM Cc1ccc(C)c(C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)c1C(=O)[O-] ZINC000634891264 1029406495 /nfs/dbraw/zinc/40/64/95/1029406495.db2.gz SKSXNKLZCUYMOL-AWEZNQCLSA-N -1 0 331.334 3.708 20 0 EHADRM CCc1oc(C(=O)N2CCCCC[C@@H]2c2ccco2)cc1C(=O)[O-] ZINC000261617942 1029475425 /nfs/dbraw/zinc/47/54/25/1029475425.db2.gz HDPMPOBIVZIMEF-CYBMUJFWSA-N -1 0 331.368 3.891 20 0 EHADRM CCc1oc(C(=O)N2CCC[C@H]2c2ccccc2C)cc1C(=O)[O-] ZINC000261669754 1029479940 /nfs/dbraw/zinc/47/99/40/1029479940.db2.gz PCRDKJNNVKRRKB-HNNXBMFYSA-N -1 0 327.380 3.826 20 0 EHADRM CCc1oc(C(=O)N(C)[C@H](C)c2cc(F)ccc2F)cc1C(=O)[O-] ZINC000261710522 1029487276 /nfs/dbraw/zinc/48/72/76/1029487276.db2.gz VFFPRNZDPQFALY-SECBINFHSA-N -1 0 337.322 3.652 20 0 EHADRM O=C(Cc1c[nH]c2ccc(Cl)cc12)NCc1ccc(O)c(F)c1 ZINC000155275410 1029492779 /nfs/dbraw/zinc/49/27/79/1029492779.db2.gz GJNQZLFJVXQIKY-UHFFFAOYSA-N -1 0 332.762 3.525 20 0 EHADRM Cc1c(Cl)cc(Cl)cc1[N-]S(=O)(=O)c1cc(F)ccc1N ZINC001211985959 1029546219 /nfs/dbraw/zinc/54/62/19/1029546219.db2.gz CUYGRMYXVSWKDG-UHFFFAOYSA-N -1 0 349.214 3.824 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC000262429102 1029592721 /nfs/dbraw/zinc/59/27/21/1029592721.db2.gz RKFVUNZLGPBGHC-WFASDCNBSA-N -1 0 327.355 3.542 20 0 EHADRM Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCCCCCCC(=O)[O-] ZINC000237470810 1029592884 /nfs/dbraw/zinc/59/28/84/1029592884.db2.gz NCIBULWVZSHOGT-CYBMUJFWSA-N -1 0 341.835 3.567 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)Nc1cccc(F)c1 ZINC000583300128 1029599884 /nfs/dbraw/zinc/59/98/84/1029599884.db2.gz IPYPQKXPFHNMRK-BBRMVZONSA-N -1 0 334.391 3.713 20 0 EHADRM O=C([O-])C1(CC(=O)N2Cc3ccccc3C[C@H]2c2ccccc2)CCC1 ZINC000262730996 1029628394 /nfs/dbraw/zinc/62/83/94/1029628394.db2.gz HZLUAQUUOOUGCY-IBGZPJMESA-N -1 0 349.430 3.958 20 0 EHADRM Cc1cc(=NC(=O)C2(Cc3cccc(Cl)c3)CCCC2)[n-]nc1C ZINC000524985080 1029636805 /nfs/dbraw/zinc/63/68/05/1029636805.db2.gz HQEWODYHRQKWJC-UHFFFAOYSA-N -1 0 343.858 3.910 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000262824334 1029640210 /nfs/dbraw/zinc/64/02/10/1029640210.db2.gz BVUYIIWDVXQJOL-HNNXBMFYSA-N -1 0 332.227 3.542 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)CCCc1ccc(Cl)cc1 ZINC000262902363 1029650727 /nfs/dbraw/zinc/65/07/27/1029650727.db2.gz IEQIRJQQCAVLFZ-KRWDZBQOSA-N -1 0 325.836 3.668 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3CC[C@@](C(=O)[O-])(C(C)C)C3)s2)o1 ZINC000263006070 1029656778 /nfs/dbraw/zinc/65/67/78/1029656778.db2.gz PHEAHTSLXCUGEU-SFHVURJKSA-N -1 0 347.436 3.889 20 0 EHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)CSCc1cccc(Cl)c1 ZINC000263037126 1029658923 /nfs/dbraw/zinc/65/89/23/1029658923.db2.gz RGYJDIHQRWWGLQ-MRXNPFEDSA-N -1 0 343.876 3.579 20 0 EHADRM CCSc1cccc(NC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c1 ZINC000263038809 1029659147 /nfs/dbraw/zinc/65/91/47/1029659147.db2.gz LMIGCJHXSIAMDA-YVEFUNNKSA-N -1 0 334.441 3.517 20 0 EHADRM CCOc1ccc(Cl)c(NC(=O)NC(C)(C)CCC(=O)[O-])c1 ZINC000263055119 1029662041 /nfs/dbraw/zinc/66/20/41/1029662041.db2.gz DWMBJRXIRGCOHW-UHFFFAOYSA-N -1 0 328.796 3.504 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2cccc(-c3cccs3)c2)C1 ZINC000263086766 1029664661 /nfs/dbraw/zinc/66/46/61/1029664661.db2.gz IKPAAKBRUNVRCD-JSGCOSHPSA-N -1 0 344.436 3.990 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000263081611 1029664954 /nfs/dbraw/zinc/66/49/54/1029664954.db2.gz UWQKPMXEPXRTIE-WBIUFABUSA-N -1 0 347.411 3.674 20 0 EHADRM C[C@]1(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CCCc2ccccc21 ZINC000263144329 1029668907 /nfs/dbraw/zinc/66/89/07/1029668907.db2.gz GZNMQRPSYVJZGW-FQEVSTJZSA-N -1 0 341.382 3.686 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)C[C@H]2CCCc3ccccc32)cc1F ZINC000263158710 1029670193 /nfs/dbraw/zinc/67/01/93/1029670193.db2.gz IELPFGXSUBIWSK-CQSZACIVSA-N -1 0 341.382 3.902 20 0 EHADRM CCC[C@H](CNC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000263166813 1029670310 /nfs/dbraw/zinc/67/03/10/1029670310.db2.gz KFHDTBCKJRUGOI-WCQYABFASA-N -1 0 345.361 3.816 20 0 EHADRM CC[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)CC[C@H]1c1ccccc1 ZINC000263174611 1029670974 /nfs/dbraw/zinc/67/09/74/1029670974.db2.gz GKJWBJBMKNKKHN-NRSFXHEJSA-N -1 0 329.440 3.530 20 0 EHADRM Cc1cc(C)c(CC(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c(C)c1 ZINC000263174599 1029671255 /nfs/dbraw/zinc/67/12/55/1029671255.db2.gz GKAFGJKSNWIAGW-OAHLLOKOSA-N -1 0 325.408 3.981 20 0 EHADRM CCCCOc1ccc(NC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c(C)c1 ZINC000263199054 1029672717 /nfs/dbraw/zinc/67/27/17/1029672717.db2.gz WYOKQKUPXGKQBO-UKRRQHHQSA-N -1 0 348.443 3.748 20 0 EHADRM COc1ccc2sc(C(=O)N3C[C@H](C(=O)[O-])CC[C@@H]3C)c(C)c2c1 ZINC000263280463 1029683866 /nfs/dbraw/zinc/68/38/66/1029683866.db2.gz XFTUEBGMEJCLQT-CMPLNLGQSA-N -1 0 347.436 3.544 20 0 EHADRM Cc1ccc(C[C@@H](C)C(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC000263315129 1029687570 /nfs/dbraw/zinc/68/75/70/1029687570.db2.gz YTWURENJTUJDGC-OAHLLOKOSA-N -1 0 325.408 3.830 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1 ZINC000263354320 1029690365 /nfs/dbraw/zinc/69/03/65/1029690365.db2.gz QLPQFNPWGOLSRW-VKJFTORMSA-N -1 0 331.456 3.873 20 0 EHADRM C[C@@H](NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)c1cc2ccccc2s1 ZINC000263365796 1029691433 /nfs/dbraw/zinc/69/14/33/1029691433.db2.gz TVGOAMQKGIAKMI-YRGRVCCFSA-N -1 0 346.452 3.715 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000263363242 1029691519 /nfs/dbraw/zinc/69/15/19/1029691519.db2.gz YZMJRYAZOKVWEH-ZIAGYGMSSA-N -1 0 333.428 3.941 20 0 EHADRM CC1(C)CCc2ccccc2[C@@H](NC(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000263370661 1029691810 /nfs/dbraw/zinc/69/18/10/1029691810.db2.gz MUPXCCWUZKZBNB-KRWDZBQOSA-N -1 0 344.455 3.596 20 0 EHADRM CCCN(C(=O)NCCC(=O)[O-])[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000263377167 1029693389 /nfs/dbraw/zinc/69/33/89/1029693389.db2.gz OKFKDWAZDYPOFS-SNVBAGLBSA-N -1 0 347.242 3.951 20 0 EHADRM CSc1ccc(C(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)o1 ZINC000263403351 1029694162 /nfs/dbraw/zinc/69/41/62/1029694162.db2.gz JUJGEZAIFXWDEQ-CYBMUJFWSA-N -1 0 339.457 3.935 20 0 EHADRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000263413518 1029694708 /nfs/dbraw/zinc/69/47/08/1029694708.db2.gz HLCNXQOYZQBAAO-LOWDOPEQSA-N -1 0 335.366 3.505 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)NC(C)(C)CCC(=O)[O-])cc2)cs1 ZINC000263474387 1029702575 /nfs/dbraw/zinc/70/25/75/1029702575.db2.gz ITBFTNICALXFDR-UHFFFAOYSA-N -1 0 347.440 3.883 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N2CCCCC[C@@H]2c2ccco2)cc1 ZINC000263483685 1029702965 /nfs/dbraw/zinc/70/29/65/1029702965.db2.gz ORWKNFJACXZVEB-MRXNPFEDSA-N -1 0 342.395 3.805 20 0 EHADRM CCOCCOCc1cccc(NCc2ccc(C(=O)[O-])cc2)c1C ZINC000263497715 1029704761 /nfs/dbraw/zinc/70/47/61/1029704761.db2.gz UGDJPGYJGXILST-UHFFFAOYSA-N -1 0 343.423 3.858 20 0 EHADRM Cc1cccc(Oc2ccccc2C(=O)N[C@@H](C)CCC(=O)[O-])c1 ZINC000263513602 1029705139 /nfs/dbraw/zinc/70/51/39/1029705139.db2.gz DBQNFEHSDAPILQ-AWEZNQCLSA-N -1 0 327.380 3.770 20 0 EHADRM CCn1cc(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)c2ccccc21 ZINC000347396785 1029717049 /nfs/dbraw/zinc/71/70/49/1029717049.db2.gz LNELONNXSCRARI-UHFFFAOYSA-N -1 0 348.402 3.558 20 0 EHADRM Cc1cnc(-c2cccc(NC(=O)Cc3ccccc3C(=O)[O-])c2)o1 ZINC000347385713 1029719742 /nfs/dbraw/zinc/71/97/42/1029719742.db2.gz YRMDSKNUPMDTAF-UHFFFAOYSA-N -1 0 336.347 3.529 20 0 EHADRM CCc1nc([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)sc1C ZINC000446823107 1029809086 /nfs/dbraw/zinc/80/90/86/1029809086.db2.gz ISTSPHAVYBAMJX-UHFFFAOYSA-N -1 0 348.852 3.748 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)cc1C ZINC000525371998 1029821162 /nfs/dbraw/zinc/82/11/62/1029821162.db2.gz GHYAHKVWLWXZID-UHFFFAOYSA-N -1 0 347.436 3.593 20 0 EHADRM CCC(CC)c1cc(C(=O)N=c2nc(-c3ccccc3)[n-]s2)on1 ZINC000525561125 1029897252 /nfs/dbraw/zinc/89/72/52/1029897252.db2.gz HOCBUERAVNMALH-UHFFFAOYSA-N -1 0 342.424 3.771 20 0 EHADRM CCc1ncsc1C(=O)Nc1nnc(Cc2ccccc2F)s1 ZINC000120020024 1029909210 /nfs/dbraw/zinc/90/92/10/1029909210.db2.gz QPNOEIMVLSQJFD-UHFFFAOYSA-N -1 0 348.428 3.539 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000120247308 1029964344 /nfs/dbraw/zinc/96/43/44/1029964344.db2.gz XCVGWTWRPMJVGB-ZIAGYGMSSA-N -1 0 331.318 3.714 20 0 EHADRM Cc1nc2cc([N-]S(=O)(=O)c3cc(C)ccc3Cl)ccc2n1C ZINC000120359518 1029969592 /nfs/dbraw/zinc/96/95/92/1029969592.db2.gz IVQCXBCWCGTBSI-UHFFFAOYSA-N -1 0 349.843 3.644 20 0 EHADRM O=C(NCc1nc(C2CC2)cs1)c1c([O-])cc(Cl)cc1Cl ZINC000151023079 1029989507 /nfs/dbraw/zinc/98/95/07/1029989507.db2.gz ARPLVVUEHYIBTA-UHFFFAOYSA-N -1 0 343.235 3.963 20 0 EHADRM COc1cc(C)cc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1C ZINC000447263428 1030054218 /nfs/dbraw/zinc/05/42/18/1030054218.db2.gz INTONWUJAHPKON-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM Fc1ccc(CN=c2[n-]nc(-c3ccccc3)o2)cc1Br ZINC000508591908 1030075755 /nfs/dbraw/zinc/07/57/55/1030075755.db2.gz YYNYRHBBQXXOLV-UHFFFAOYSA-N -1 0 348.175 3.672 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1nc2cc(F)c(C)cc2s1 ZINC000481893843 1030114072 /nfs/dbraw/zinc/11/40/72/1030114072.db2.gz VBHKTCLDJDIMQG-UHFFFAOYSA-N -1 0 342.442 3.915 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H]1C(=O)Nc1cc(Cl)ccc1Br ZINC000128293153 1030133866 /nfs/dbraw/zinc/13/38/66/1030133866.db2.gz AYEKUZJTOZUGDC-BDAKNGLRSA-N -1 0 346.608 3.542 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N3CCC[C@H](C)C3)s2)c1 ZINC000481977617 1030142781 /nfs/dbraw/zinc/14/27/81/1030142781.db2.gz FKNKSYGPXGSBPE-NSHDSACASA-N -1 0 330.457 3.508 20 0 EHADRM O=S(=O)([N-]c1ccc(OCC(F)F)cc1)c1ccccc1Cl ZINC000481962707 1030146105 /nfs/dbraw/zinc/14/61/05/1030146105.db2.gz QFZHBRHFLOQZAI-UHFFFAOYSA-N -1 0 347.770 3.785 20 0 EHADRM CCC[C@@H](CC)S(=O)(=O)Nc1ccccc1-c1n[nH]c(C2CC2)n1 ZINC000583567628 1030157883 /nfs/dbraw/zinc/15/78/83/1030157883.db2.gz FXHFQSOQZKTZSZ-CYBMUJFWSA-N -1 0 348.472 3.670 20 0 EHADRM COC(=O)Nc1cccc(NC(=O)c2cc(F)cc(Cl)c2[O-])c1 ZINC000121081828 1030177934 /nfs/dbraw/zinc/17/79/34/1030177934.db2.gz YBVSVEFJLMSNRM-UHFFFAOYSA-N -1 0 338.722 3.615 20 0 EHADRM Cc1c(C(=O)Nc2cc(C(=O)[O-])ccc2C)cnn1-c1ccc(C)cc1 ZINC000532001791 1030212518 /nfs/dbraw/zinc/21/25/18/1030212518.db2.gz IRKXZDXZNSSDQV-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)Nc3cccc(C4CCC4)c3)cc2=O)cc1 ZINC000428486514 1030219341 /nfs/dbraw/zinc/21/93/41/1030219341.db2.gz WFNFJUFBUIONMH-UHFFFAOYSA-N -1 0 347.418 3.994 20 0 EHADRM CCOc1cc(C(=O)Nc2ccc(F)c(F)c2)cc(Cl)c1O ZINC000192586923 1030224090 /nfs/dbraw/zinc/22/40/90/1030224090.db2.gz PMNHBANUGXWVOL-UHFFFAOYSA-N -1 0 327.714 3.975 20 0 EHADRM CC[C@]1(C)CCCN(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])C1 ZINC000447520240 1030242182 /nfs/dbraw/zinc/24/21/82/1030242182.db2.gz ASNPXNDSZILNMN-GOSISDBHSA-N -1 0 347.846 3.884 20 0 EHADRM C[C@H](Cc1ccsc1)NC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000531996053 1030247825 /nfs/dbraw/zinc/24/78/25/1030247825.db2.gz CDABWEHBNIIFSW-VXGBXAGGSA-N -1 0 349.477 3.674 20 0 EHADRM CCCCS(=O)(=O)[N-]C(=O)CCc1ccc(-c2ccccc2)o1 ZINC000042343175 1030256706 /nfs/dbraw/zinc/25/67/06/1030256706.db2.gz OKJPQNIXZUPHII-UHFFFAOYSA-N -1 0 335.425 3.966 20 0 EHADRM CCCCS(=O)(=O)[N-]C(=O)c1ccc(COc2ccccc2)cc1 ZINC000042343315 1030260822 /nfs/dbraw/zinc/26/08/22/1030260822.db2.gz FJZZIOGJHFTFMU-UHFFFAOYSA-N -1 0 347.436 3.700 20 0 EHADRM COc1cc(C)c(S(=O)(=O)Nc2cc(OC)c(C)cc2C)c(C)c1 ZINC000526035922 1030348356 /nfs/dbraw/zinc/34/83/56/1030348356.db2.gz ZEXCTXPCKUCGBK-UHFFFAOYSA-N -1 0 349.452 3.738 20 0 EHADRM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cccc3ncccc32)n[nH]1 ZINC000162942415 1030460806 /nfs/dbraw/zinc/46/08/06/1030460806.db2.gz WXEDWCKBPSHBNE-LBPRGKRZSA-N -1 0 344.440 3.662 20 0 EHADRM COc1ccccc1-c1cc(Nc2ccc(C)c(C(=O)[O-])c2)n(C)n1 ZINC001211594335 1030479008 /nfs/dbraw/zinc/47/90/08/1030479008.db2.gz SRAFKHPIKAQJDB-UHFFFAOYSA-N -1 0 337.379 3.846 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3OC)c1 ZINC000447790785 1030492637 /nfs/dbraw/zinc/49/26/37/1030492637.db2.gz ZQDRYUFXYXBRBX-QGZVFWFLSA-N -1 0 347.436 3.520 20 0 EHADRM Cc1cc2cc([N-]S(=O)(=O)c3c(F)cc(F)cc3F)ccc2[nH]1 ZINC000060442704 1030556823 /nfs/dbraw/zinc/55/68/23/1030556823.db2.gz XVMRBHPAYGYHRQ-UHFFFAOYSA-N -1 0 340.326 3.694 20 0 EHADRM Cc1ccc2sc(C(=O)N=c3ncn(C4CCCCC4)[n-]3)cc2c1 ZINC000583724516 1030557594 /nfs/dbraw/zinc/55/75/94/1030557594.db2.gz PKLARHQVEHUBCW-UHFFFAOYSA-N -1 0 340.452 3.981 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c(C)n1 ZINC000447899887 1030593257 /nfs/dbraw/zinc/59/32/57/1030593257.db2.gz XUBHPFFQROTRIM-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc3cccnc32)c1 ZINC000193704135 1030602611 /nfs/dbraw/zinc/60/26/11/1030602611.db2.gz FJUVAGYEGDVDSS-UHFFFAOYSA-N -1 0 340.404 3.628 20 0 EHADRM CC[C@@]1(C)CCCN(C(=O)N=c2[n-]nc(/C=C\c3ccco3)s2)C1 ZINC000343384779 1030615503 /nfs/dbraw/zinc/61/55/03/1030615503.db2.gz BAHZPUXUWZAAFZ-QWPQOLDESA-N -1 0 346.456 3.767 20 0 EHADRM CCC(CC)c1n[n-]c(=NCc2ccnn2-c2ccccc2)s1 ZINC000447960448 1030632814 /nfs/dbraw/zinc/63/28/14/1030632814.db2.gz ZGGNDSRTRIZMMR-UHFFFAOYSA-N -1 0 327.457 3.661 20 0 EHADRM C[C@@H]1CCC[C@H](C)N1C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000194033886 1030642914 /nfs/dbraw/zinc/64/29/14/1030642914.db2.gz MHPVAXKIXAMUEW-TXEJJXNPSA-N -1 0 333.819 3.634 20 0 EHADRM CC1(C)CCCCN(C(=O)N=c2nc(-c3ccsc3)[n-]s2)C1 ZINC000447994371 1030645876 /nfs/dbraw/zinc/64/58/76/1030645876.db2.gz URIDQSMBGAFQQL-UHFFFAOYSA-N -1 0 336.486 3.733 20 0 EHADRM C[C@@H]1C[C@H](C)CCN(C(=O)N=c2[n-]nc(/C=C/c3ccco3)s2)C1 ZINC000343390419 1030655859 /nfs/dbraw/zinc/65/58/59/1030655859.db2.gz CVWSFLUMSZKNIF-FBVTZJDUSA-N -1 0 346.456 3.623 20 0 EHADRM Cc1nc2c(s1)[C@@H](N(C)Cc1ccc(C(=O)[O-])cc1F)CCC2 ZINC000568061667 1030672506 /nfs/dbraw/zinc/67/25/06/1030672506.db2.gz NHFPMFZMSBJHHV-HNNXBMFYSA-N -1 0 334.416 3.798 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)[N-]c2ncccc2-c2ccccc2)c1 ZINC000536126880 1030735088 /nfs/dbraw/zinc/73/50/88/1030735088.db2.gz DFRMAQACCNTBCF-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1cccc(Cl)c1[O-] ZINC000172111733 1030837568 /nfs/dbraw/zinc/83/75/68/1030837568.db2.gz LHGGMFYMGSZDJL-LBPRGKRZSA-N -1 0 344.798 3.575 20 0 EHADRM CCC(CC)(CC(=O)NCc1ccc(OC2CCCC2)cc1)C(=O)[O-] ZINC000550962848 1030837858 /nfs/dbraw/zinc/83/78/58/1030837858.db2.gz NBRBRDQQZGKRHQ-UHFFFAOYSA-N -1 0 347.455 3.905 20 0 EHADRM COC(=O)c1sc2ccncc2c1Nc1ccc(C)c(C(=O)[O-])c1 ZINC001211599333 1030857387 /nfs/dbraw/zinc/85/73/87/1030857387.db2.gz GIILEZFYRHCRCC-UHFFFAOYSA-N -1 0 342.376 3.833 20 0 EHADRM C[C@@H](NC(=O)CC1(C(=O)[O-])CCC1)c1ccc(-c2cccnc2)cc1 ZINC000262779609 1030905951 /nfs/dbraw/zinc/90/59/51/1030905951.db2.gz MBTNREMQDRMLMJ-CQSZACIVSA-N -1 0 338.407 3.571 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)CCCOc2ccccc2)c1 ZINC000262833078 1030927451 /nfs/dbraw/zinc/92/74/51/1030927451.db2.gz BUFRKUPWNILYHR-AWEZNQCLSA-N -1 0 327.380 3.672 20 0 EHADRM CN(Cc1ccc(F)c(F)c1)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000162284693 1030995392 /nfs/dbraw/zinc/99/53/92/1030995392.db2.gz XNINYQNUKYSZBV-UHFFFAOYSA-N -1 0 329.705 3.735 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)no2)c(Cl)c1 ZINC000172834307 1031007328 /nfs/dbraw/zinc/00/73/28/1031007328.db2.gz BWRCWQSHIWFOIV-UHFFFAOYSA-N -1 0 328.821 3.735 20 0 EHADRM Cc1nnc(-c2cccc(NC(=O)c3ccc(Cl)cc3[O-])c2)o1 ZINC000174375599 1031206627 /nfs/dbraw/zinc/20/66/27/1031206627.db2.gz HTCAQTQTBFNWMO-UHFFFAOYSA-N -1 0 329.743 3.656 20 0 EHADRM COCc1n[n-]c(=NCc2ccc(C)cc2O[C@@H](C)CC(C)C)s1 ZINC000477112744 1031265478 /nfs/dbraw/zinc/26/54/78/1031265478.db2.gz RYZVZIIPHRZFPP-AWEZNQCLSA-N -1 0 349.500 3.840 20 0 EHADRM C[C@@H](NC(=O)N([C@@H](C)C(=O)[O-])C1CCC1)c1c(F)cccc1Cl ZINC000583972654 1031278321 /nfs/dbraw/zinc/27/83/21/1031278321.db2.gz SOAJYGCORHSOHV-ZJUUUORDSA-N -1 0 342.798 3.577 20 0 EHADRM CCc1ccc(C(=O)[O-])cc1NCc1cnn(Cc2ccccc2)c1 ZINC000551422828 1031317679 /nfs/dbraw/zinc/31/76/79/1031317679.db2.gz IVMGYQMHOYBDPY-UHFFFAOYSA-N -1 0 335.407 3.804 20 0 EHADRM CSc1cc(C)c(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])o1 ZINC000668268639 1031351455 /nfs/dbraw/zinc/35/14/55/1031351455.db2.gz WZKOVAAPJULNIU-CYBMUJFWSA-N -1 0 347.436 3.673 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2F)c(C)c1 ZINC000551467494 1031365234 /nfs/dbraw/zinc/36/52/34/1031365234.db2.gz XGJHVBVYZKOUSS-UHFFFAOYSA-N -1 0 343.807 3.987 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccc(C(=O)[O-])s3)C2)cc1 ZINC000668300815 1031428478 /nfs/dbraw/zinc/42/84/78/1031428478.db2.gz XOTPQYLGVATZLY-GXTWGEPZSA-N -1 0 329.421 3.773 20 0 EHADRM COc1ccc(OC)c(S(=O)(=O)[N-]c2csc3ccccc23)c1 ZINC000484098475 1031453163 /nfs/dbraw/zinc/45/31/63/1031453163.db2.gz ABFYFAMNTLIFSZ-UHFFFAOYSA-N -1 0 349.433 3.719 20 0 EHADRM C[C@@H](CNC(=O)c1cc(F)c([O-])c(Cl)c1)Cc1cccs1 ZINC000194757849 1031478985 /nfs/dbraw/zinc/47/89/85/1031478985.db2.gz LDGYPYQDQFLDMD-SECBINFHSA-N -1 0 327.808 3.855 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N[C@@H]2C[C@H]2c2cccc3ccccc32)CC1 ZINC000668322781 1031490525 /nfs/dbraw/zinc/49/05/25/1031490525.db2.gz FOCZZEVABGHWGP-STEAMIEHSA-N -1 0 337.419 3.703 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cn1)c1cc2cc(Cl)ccc2s1 ZINC000083577291 1031514106 /nfs/dbraw/zinc/51/41/06/1031514106.db2.gz UHQHPUQZKQKTFC-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000484462320 1031593800 /nfs/dbraw/zinc/59/38/00/1031593800.db2.gz XYTWAGLLVSLWQD-UHFFFAOYSA-N -1 0 339.436 3.630 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cccc3ccccc32)c(OC)c1 ZINC000084460572 1031630568 /nfs/dbraw/zinc/63/05/68/1031630568.db2.gz KMLMMASUQANZMR-UHFFFAOYSA-N -1 0 343.404 3.658 20 0 EHADRM CCCn1c(CN[C@H](CCCC(C)C)C(=O)[O-])nc2ccccc21 ZINC000904035287 1031645254 /nfs/dbraw/zinc/64/52/54/1031645254.db2.gz BYJWHARFHAPPFR-MRXNPFEDSA-N -1 0 331.460 3.815 20 0 EHADRM O=C([O-])C[C@H](NCc1cc(Cl)cc2c1OCC2)c1ccccc1F ZINC000904046220 1031667265 /nfs/dbraw/zinc/66/72/65/1031667265.db2.gz XRVDYSRRRCVIFA-INIZCTEOSA-N -1 0 349.789 3.720 20 0 EHADRM CCc1cccc2cc(CN[C@H](CC)c3nc(C(=O)[O-])c[nH]3)oc21 ZINC000904066144 1031691969 /nfs/dbraw/zinc/69/19/69/1031691969.db2.gz YUHHGKUDCKXHPZ-CQSZACIVSA-N -1 0 327.384 3.657 20 0 EHADRM CCCCCc1nnc([N-]C(=O)c2nc3cccnc3s2)s1 ZINC000278621328 1031694584 /nfs/dbraw/zinc/69/45/84/1031694584.db2.gz MLEFEQQDIAZQSO-UHFFFAOYSA-N -1 0 333.442 3.528 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)cc1F ZINC000475738091 1031703127 /nfs/dbraw/zinc/70/31/27/1031703127.db2.gz OHOSTFZFWROZQZ-UHFFFAOYSA-N -1 0 345.342 3.612 20 0 EHADRM O=C([O-])N[C@H]1C[C@@H](Nc2ccc(OC(F)F)c(Cl)c2)C12CCC2 ZINC000904194411 1031840604 /nfs/dbraw/zinc/84/06/04/1031840604.db2.gz FKKGZMBKDTVALX-NEPJUHHUSA-N -1 0 346.761 3.932 20 0 EHADRM Cc1ccnc(C)c1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000460550982 1031847223 /nfs/dbraw/zinc/84/72/23/1031847223.db2.gz CWGUONZRUBJQTH-UHFFFAOYSA-N -1 0 349.214 3.945 20 0 EHADRM O=C([O-])N[C@@H]1C[C@H](Nc2ccc(CC(F)(F)F)cc2)C12CCC2 ZINC000904200035 1031847462 /nfs/dbraw/zinc/84/74/62/1031847462.db2.gz WHEJDDMISVOMNG-QWHCGFSZSA-N -1 0 328.334 3.782 20 0 EHADRM O=C([O-])N[C@@H]1C[C@@H](Nc2cccc(SC(F)F)c2)C12CCC2 ZINC000904200581 1031848136 /nfs/dbraw/zinc/84/81/36/1031848136.db2.gz UCBNJZFPQWHJRL-VXGBXAGGSA-N -1 0 328.384 3.992 20 0 EHADRM CCc1cccc(C(=O)N2CCCCc3cc(OC)ccc32)c1O ZINC000537712689 1031849810 /nfs/dbraw/zinc/84/98/10/1031849810.db2.gz GIRQKYUHLCUYMG-UHFFFAOYSA-N -1 0 325.408 3.946 20 0 EHADRM O=C(Nc1ccc(F)cc1NC1CC1)c1cc(F)c(F)c([O-])c1F ZINC000180157789 1031861767 /nfs/dbraw/zinc/86/17/67/1031861767.db2.gz KKTBZFAGKKLCPY-UHFFFAOYSA-N -1 0 340.276 3.775 20 0 EHADRM CCCCn1ncc(N[C@@H]2C[C@H](NC(=O)[O-])C23CCC3)c1C(C)C ZINC000904234411 1031882551 /nfs/dbraw/zinc/88/25/51/1031882551.db2.gz KUJYHRDQWYAJRP-CABCVRRESA-N -1 0 334.464 3.797 20 0 EHADRM FC(F)(F)c1n[n-]c(=Nc2cccc(C3CCOCC3)c2)s1 ZINC000528200060 1031889587 /nfs/dbraw/zinc/88/95/87/1031889587.db2.gz ZTGIRIWJFFCDGK-UHFFFAOYSA-N -1 0 329.347 3.616 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1cc(-c2ccco2)[nH]n1 ZINC000159243445 1031959342 /nfs/dbraw/zinc/95/93/42/1031959342.db2.gz RKPBYSMLMADCOL-UHFFFAOYSA-N -1 0 338.150 3.934 20 0 EHADRM COCC[C@@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1ccc(C)o1 ZINC000278681537 1031978669 /nfs/dbraw/zinc/97/86/69/1031978669.db2.gz PDLDCFFUMJNBTF-CYBMUJFWSA-N -1 0 341.766 3.594 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-] ZINC000448987515 1032019263 /nfs/dbraw/zinc/01/92/63/1032019263.db2.gz BMDGLQVESKVOJU-BMFZPTHFSA-N -1 0 335.469 3.565 20 0 EHADRM CSc1ccc(NC(=O)N(CCc2ccccc2)CC(=O)[O-])cc1 ZINC000584270104 1032038398 /nfs/dbraw/zinc/03/83/98/1032038398.db2.gz RFGBVNOGGGUBIT-UHFFFAOYSA-N -1 0 344.436 3.570 20 0 EHADRM C[C@@H](Sc1n[n-]c(=NC2CC2)s1)c1nccn1-c1ccccc1 ZINC000574661726 1033318850 /nfs/dbraw/zinc/31/88/50/1033318850.db2.gz VTKYOYSEJJQPAN-LLVKDONJSA-N -1 0 343.481 3.573 20 0 EHADRM CCC[C@H](CNC(=O)c1ccccc1Cc1ccccc1)C(=O)[O-] ZINC000263169381 1033324072 /nfs/dbraw/zinc/32/40/72/1033324072.db2.gz KLFLYNZNMFXIEH-QGZVFWFLSA-N -1 0 325.408 3.508 20 0 EHADRM Cc1nc(C(C)C)ccc1CONC(=O)CCOc1ccccc1 ZINC000842028030 1033340899 /nfs/dbraw/zinc/34/08/99/1033340899.db2.gz LIIKNIUBTYILOW-UHFFFAOYSA-N -1 0 328.412 3.530 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1nc(C2CCC2)cs1 ZINC000574753753 1033353813 /nfs/dbraw/zinc/35/38/13/1033353813.db2.gz QRCHPORPOPZYJS-UHFFFAOYSA-N -1 0 340.495 3.933 20 0 EHADRM CCCSCc1nc(-c2cc(F)c([O-])c(Br)c2)no1 ZINC000598684184 1033382210 /nfs/dbraw/zinc/38/22/10/1033382210.db2.gz SFLFSYZLYDTMNK-UHFFFAOYSA-N -1 0 347.209 3.987 20 0 EHADRM COc1cccc(S(=O)(=O)[N-]c2ccc3ccc(Cl)cc3n2)c1 ZINC000669670037 1033415784 /nfs/dbraw/zinc/41/57/84/1033415784.db2.gz WLYLPHREAJJVSX-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM O=S(=O)([N-]c1ccc2scnc2c1)c1cccc2ncccc21 ZINC000170664059 1033422347 /nfs/dbraw/zinc/42/23/47/1033422347.db2.gz HWKLAJJVYKKAQF-UHFFFAOYSA-N -1 0 341.417 3.645 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)[C@@H]2C[C@]23CCc2ccccc23)cc1 ZINC000588617130 1033424809 /nfs/dbraw/zinc/42/48/09/1033424809.db2.gz WNAMGIWKGMSBLA-YBCWHCIKSA-N -1 0 333.387 3.627 20 0 EHADRM COc1ccc(-c2noc(-c3ccc([O-])c(Cl)c3)n2)cc1OC ZINC000171844120 1033452828 /nfs/dbraw/zinc/45/28/28/1033452828.db2.gz WOIHSHOQXGAUAK-UHFFFAOYSA-N -1 0 332.743 3.780 20 0 EHADRM Cc1ccc(Cc2n[n-]c(=NC(=O)NC3CCCCCC3)s2)cc1 ZINC000594942111 1033588527 /nfs/dbraw/zinc/58/85/27/1033588527.db2.gz ADTJHTZIJMHOLX-UHFFFAOYSA-N -1 0 344.484 3.704 20 0 EHADRM CC[C@H](C)CN(C)C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000608364154 1033637175 /nfs/dbraw/zinc/63/71/75/1033637175.db2.gz XOOQJZUHOONQHR-AWEZNQCLSA-N -1 0 329.444 3.819 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)Nc2ccc(O)c(Cl)c2)s1 ZINC000476377826 1033702670 /nfs/dbraw/zinc/70/26/70/1033702670.db2.gz XCLSHQSMGBFFTF-UHFFFAOYSA-N -1 0 340.836 3.867 20 0 EHADRM C[C@@H](CNC(=O)c1c([O-])cc(F)cc1F)Oc1cccc(Cl)c1 ZINC000608474119 1033703317 /nfs/dbraw/zinc/70/33/17/1033703317.db2.gz KQSNTBLYDFDLCB-VIFPVBQESA-N -1 0 341.741 3.521 20 0 EHADRM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)c1cccc(Br)c1[O-] ZINC000608451101 1033708835 /nfs/dbraw/zinc/70/88/35/1033708835.db2.gz BYGNDMNINOKHCV-WMLDXEAASA-N -1 0 346.224 3.615 20 0 EHADRM O=C(NCCCc1c[nH]c2ccccc12)c1ccc([O-])c(Cl)c1 ZINC000107774477 1033723581 /nfs/dbraw/zinc/72/35/81/1033723581.db2.gz XDXSSINNGUNCEN-UHFFFAOYSA-N -1 0 328.799 3.890 20 0 EHADRM COc1ncc(C)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000476395856 1033748461 /nfs/dbraw/zinc/74/84/61/1033748461.db2.gz HEWMIZHIYCJPSF-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM Cc1cc(S(=O)(=O)Nc2cccc(OC(F)F)c2)cc(C)c1F ZINC000460430562 1033834336 /nfs/dbraw/zinc/83/43/36/1033834336.db2.gz UNKGINLGMSNBIC-UHFFFAOYSA-N -1 0 345.342 3.845 20 0 EHADRM C[C@](CC(=O)N[C@H](c1ccccc1)C1CC1)(C(=O)[O-])c1ccccc1 ZINC000326708814 1033838518 /nfs/dbraw/zinc/83/85/18/1033838518.db2.gz YFTRYINSGQSSTK-TZIWHRDSSA-N -1 0 337.419 3.687 20 0 EHADRM CCCc1nc(=NC(=O)N(C)[C@H](C)c2ccccc2Cl)s[n-]1 ZINC000550666814 1033848140 /nfs/dbraw/zinc/84/81/40/1033848140.db2.gz NTGGKNYPGNQGAZ-SNVBAGLBSA-N -1 0 338.864 3.791 20 0 EHADRM COc1cc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)ccc1C(=O)[O-] ZINC000191054775 1033859355 /nfs/dbraw/zinc/85/93/55/1033859355.db2.gz XIFFEEDOFNUNDN-ARFHVFGLSA-N -1 0 345.439 3.616 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccc(Cl)cc2)c(C)c1 ZINC000046929975 1033889908 /nfs/dbraw/zinc/88/99/08/1033889908.db2.gz WALMMHFWSLPZSO-UHFFFAOYSA-N -1 0 337.828 3.845 20 0 EHADRM CC[C@H](Nc1ccccc1)C(=O)N=c1[nH][n-]c(-c2ccc(C)o2)c1C ZINC000575207186 1033890066 /nfs/dbraw/zinc/89/00/66/1033890066.db2.gz RMLKVOCVBVBNNE-HNNXBMFYSA-N -1 0 338.411 3.538 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccc(Cl)s1)c1cccc(Cl)c1 ZINC000046928676 1033897054 /nfs/dbraw/zinc/89/70/54/1033897054.db2.gz DKFXEHOVRDCDSW-UHFFFAOYSA-N -1 0 336.221 3.748 20 0 EHADRM CCn1ncc2ccc(NC(=O)c3ccc4[n-]c(=S)oc4c3)cc21 ZINC000174360747 1033922459 /nfs/dbraw/zinc/92/24/59/1033922459.db2.gz JMIHWUQCIARHLZ-UHFFFAOYSA-N -1 0 338.392 3.738 20 0 EHADRM O=C(N[C@H]1CCOc2c(Cl)cccc21)c1ccc([O-])c(Cl)c1 ZINC000055456344 1033973479 /nfs/dbraw/zinc/97/34/79/1033973479.db2.gz PLPUVITVMQTCHD-ZDUSSCGKSA-N -1 0 338.190 3.953 20 0 EHADRM O=C(Cc1ccccc1OC(F)F)Nc1ccc(O)c(Cl)c1 ZINC000118530707 1034029141 /nfs/dbraw/zinc/02/91/41/1034029141.db2.gz JDBUFVVJALQCEV-UHFFFAOYSA-N -1 0 327.714 3.828 20 0 EHADRM O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1c([O-])cccc1F ZINC000119018437 1034053837 /nfs/dbraw/zinc/05/38/37/1034053837.db2.gz AKVZFNPUVLOILG-UHFFFAOYSA-N -1 0 347.239 3.864 20 0 EHADRM Cn1c2cc(Br)ccc2nc1-c1ccc(C(=O)[O-])cc1 ZINC000534057262 1034082419 /nfs/dbraw/zinc/08/24/19/1034082419.db2.gz CCFNCXWHOODOIY-UHFFFAOYSA-N -1 0 331.169 3.701 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)c(O)c1 ZINC000669774879 1034137354 /nfs/dbraw/zinc/13/73/54/1034137354.db2.gz KJSCOWUWZIKGPA-OAHLLOKOSA-N -1 0 341.407 3.887 20 0 EHADRM O=C(c1cccc(Br)c1[O-])N(CC(F)F)CC1CCC1 ZINC000534209938 1034237067 /nfs/dbraw/zinc/23/70/67/1034237067.db2.gz IITAGISGMSNJSD-UHFFFAOYSA-N -1 0 348.187 3.662 20 0 EHADRM O=S(=O)([N-]c1scnc1C1CC1)c1ccc(Cl)cc1F ZINC000534234771 1034304600 /nfs/dbraw/zinc/30/46/00/1034304600.db2.gz HMTXCGNYBYEPNS-UHFFFAOYSA-N -1 0 332.809 3.614 20 0 EHADRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cscc1C)c1ccccc1 ZINC000191778851 1034354850 /nfs/dbraw/zinc/35/48/50/1034354850.db2.gz SMXJZFGKGPVPAX-ZBFHGGJFSA-N -1 0 326.421 3.647 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000192491202 1034372949 /nfs/dbraw/zinc/37/29/49/1034372949.db2.gz JNEISMQYTOXSGA-VIFPVBQESA-N -1 0 345.757 3.905 20 0 EHADRM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc2sccc2c1 ZINC000761193136 1034379032 /nfs/dbraw/zinc/37/90/32/1034379032.db2.gz BCGMDRKVFMLSRF-GFCCVEGCSA-N -1 0 345.445 3.722 20 0 EHADRM O=C(N=c1nc(-c2ccsc2)[n-]s1)[C@@H]1CCCc2ccccc21 ZINC000596898316 1034432076 /nfs/dbraw/zinc/43/20/76/1034432076.db2.gz MPVPICJNOLLCCR-CQSZACIVSA-N -1 0 341.461 3.747 20 0 EHADRM O=C(CCc1cccc(Cl)c1)N=c1nc(-c2ccsc2)[n-]s1 ZINC000596897365 1034432218 /nfs/dbraw/zinc/43/22/18/1034432218.db2.gz KCPRCEUUMQRMOJ-UHFFFAOYSA-N -1 0 349.868 3.913 20 0 EHADRM CCOc1ccc([C@H](C)NC(=O)N=c2nc(C(C)(C)C)[n-]s2)cc1 ZINC000604801616 1034507681 /nfs/dbraw/zinc/50/76/81/1034507681.db2.gz OGRIJOFHLWRRJA-NSHDSACASA-N -1 0 348.472 3.539 20 0 EHADRM C[C@@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1cc2cccc(F)c2o1 ZINC000450538954 1034513479 /nfs/dbraw/zinc/51/34/79/1034513479.db2.gz JALMZPAFXXPKFO-IJLUTSLNSA-N -1 0 333.359 3.640 20 0 EHADRM Cc1cc(C)cc([C@@H]2CCN(C(=O)Cc3ccc(O)c(F)c3)C2)c1 ZINC000450560300 1034521127 /nfs/dbraw/zinc/52/11/27/1034521127.db2.gz FEJHYAUEZTXDER-MRXNPFEDSA-N -1 0 327.399 3.707 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)nc1 ZINC000604839358 1034521200 /nfs/dbraw/zinc/52/12/00/1034521200.db2.gz SDZHLSLPGLBMAZ-UHFFFAOYSA-N -1 0 349.264 3.911 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)cc1 ZINC000511330604 1034551625 /nfs/dbraw/zinc/55/16/25/1034551625.db2.gz ANMFZSRGMNYULD-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM Cc1cccc(CS(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)c1 ZINC000605158417 1034657742 /nfs/dbraw/zinc/65/77/42/1034657742.db2.gz NBTNFLLFHYWDBG-OAHLLOKOSA-N -1 0 343.370 3.718 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000326446594 1034716159 /nfs/dbraw/zinc/71/61/59/1034716159.db2.gz NEXGOCXLJRDVSM-LSDHHAIUSA-N -1 0 325.364 3.918 20 0 EHADRM O=S(=O)([N-][C@H](c1ccccc1)C(F)F)c1cc(Cl)ccc1F ZINC000431644340 1034730169 /nfs/dbraw/zinc/73/01/69/1034730169.db2.gz IKDUGEJPJHQUGD-CYBMUJFWSA-N -1 0 349.761 3.764 20 0 EHADRM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccnn1[C@H](C)C1CC1 ZINC000605495830 1034769066 /nfs/dbraw/zinc/76/90/66/1034769066.db2.gz PUSLZLNFCLVPSJ-CYBMUJFWSA-N -1 0 347.484 3.780 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N[C@@H]2CCSc3ccccc32)CC1 ZINC000584472541 1034782491 /nfs/dbraw/zinc/78/24/91/1034782491.db2.gz TWFWEDVVHCYGFK-SSDMNJCBSA-N -1 0 333.453 3.621 20 0 EHADRM COCC[C@H](N=c1[n-]nc(C2CC2)o1)c1cccc(C(F)(F)F)c1 ZINC000450803825 1034815192 /nfs/dbraw/zinc/81/51/92/1034815192.db2.gz LLXKHEAVCGESPT-ZDUSSCGKSA-N -1 0 341.333 3.577 20 0 EHADRM COc1ccccc1-c1nc(CN2CC[C@H](C)C[C@@H]2C(=O)[O-])cs1 ZINC000584475603 1034836964 /nfs/dbraw/zinc/83/69/64/1034836964.db2.gz QVNYKJQJCQBLPA-SWLSCSKDSA-N -1 0 346.452 3.504 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-] ZINC000601984483 1034848849 /nfs/dbraw/zinc/84/88/49/1034848849.db2.gz ORAXDIBTKDODAT-IUCAKERBSA-N -1 0 347.889 3.985 20 0 EHADRM CC(C)CCc1nc(CN2CCc3occc3[C@H]2C(=O)[O-])cs1 ZINC000530166882 1035014582 /nfs/dbraw/zinc/01/45/82/1035014582.db2.gz SIHSZVAUMYTVMK-INIZCTEOSA-N -1 0 334.441 3.509 20 0 EHADRM Cc1csc(S(=O)(=O)[N-]c2sc(C)nc2CC(C)C)c1 ZINC000451016451 1035033300 /nfs/dbraw/zinc/03/33/00/1035033300.db2.gz HNRIDLWHAKJOPV-UHFFFAOYSA-N -1 0 330.500 3.821 20 0 EHADRM C[C@@H]1CCC[C@H](C)CN1C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000475668476 1035038010 /nfs/dbraw/zinc/03/80/10/1035038010.db2.gz RQCFKRNFEBHDOK-QWHCGFSZSA-N -1 0 330.457 3.669 20 0 EHADRM C[C@@H]1CC(F)(F)CCN1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000530172331 1035043854 /nfs/dbraw/zinc/04/38/54/1035043854.db2.gz HGHKARCUTBUQPX-LLVKDONJSA-N -1 0 336.338 3.659 20 0 EHADRM Cc1ccc([C@@H](N=c2[n-]nc(C(F)F)s2)c2ccccn2)cc1 ZINC000376004217 1035097544 /nfs/dbraw/zinc/09/75/44/1035097544.db2.gz AXGOCEVIAWUEKY-CYBMUJFWSA-N -1 0 332.379 3.803 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(Cl)c2[O-])nn1-c1ccccc1 ZINC000172109960 1035346034 /nfs/dbraw/zinc/34/60/34/1035346034.db2.gz ZRFKQXGOZIMSAS-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM Cc1ccn([C@@H](C)CC(=O)Nc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000613183502 1035440576 /nfs/dbraw/zinc/44/05/76/1035440576.db2.gz RMWXEBOKJPSBIO-VIFPVBQESA-N -1 0 328.199 3.794 20 0 EHADRM C[C@H](CNC(=O)c1cccc(Oc2ccc(Cl)cc2)c1)CC(=O)[O-] ZINC000431776391 1035474472 /nfs/dbraw/zinc/47/44/72/1035474472.db2.gz PLUVBIDIDLHCOT-LBPRGKRZSA-N -1 0 347.798 3.973 20 0 EHADRM CC[C@H](C(=O)N=c1ccc(-c2ccccc2)n[n-]1)c1ccc(OC)cc1 ZINC000540617294 1035505753 /nfs/dbraw/zinc/50/57/53/1035505753.db2.gz GTZDXZYQJVEZAQ-SFHVURJKSA-N -1 0 347.418 3.706 20 0 EHADRM CC(C)N(C)c1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1F ZINC000164296522 1035517839 /nfs/dbraw/zinc/51/78/39/1035517839.db2.gz ZNUNIIDQQQQICL-UHFFFAOYSA-N -1 0 347.346 3.536 20 0 EHADRM Cc1cc(C)nc([N-]S(=O)(=O)c2cc(Cl)c(C)c(Cl)c2)n1 ZINC000185713446 1035520832 /nfs/dbraw/zinc/52/08/32/1035520832.db2.gz LCTUOKAWLKVCHJ-UHFFFAOYSA-N -1 0 346.239 3.509 20 0 EHADRM Fc1ccc(CN=c2[n-]nc(Cc3ccc4ccccc4c3)o2)cc1 ZINC000540706157 1035588339 /nfs/dbraw/zinc/58/83/39/1035588339.db2.gz CAVVELNHVHJQFD-UHFFFAOYSA-N -1 0 333.366 3.987 20 0 EHADRM c1nc(C2CC2)sc1CN=c1[n-]nc(CCCc2ccccc2)o1 ZINC000540791901 1035685392 /nfs/dbraw/zinc/68/53/92/1035685392.db2.gz CVEJVEFYYPHVMQ-UHFFFAOYSA-N -1 0 340.452 3.613 20 0 EHADRM O=C([O-])c1ccc(-c2cc(F)ccc2OC[C@H]2CCCCO2)c(O)c1 ZINC000521069155 1035744624 /nfs/dbraw/zinc/74/46/24/1035744624.db2.gz AWHGZKHIJLSRDB-CQSZACIVSA-N -1 0 346.354 3.844 20 0 EHADRM O=S(=O)([N-][C@@H](C1CC1)C(F)(F)F)c1cccc(Cl)c1Cl ZINC000571955018 1035848024 /nfs/dbraw/zinc/84/80/24/1035848024.db2.gz WDUVGMHDXQLFIZ-JTQLQIEISA-N -1 0 348.173 3.613 20 0 EHADRM CCc1cnc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)s1 ZINC000174020563 1035837760 /nfs/dbraw/zinc/83/77/60/1035837760.db2.gz AKBSSQONVXOEGO-UHFFFAOYSA-N -1 0 336.360 3.525 20 0 EHADRM Cc1ccccc1-c1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c(C)c1 ZINC000571939457 1035840472 /nfs/dbraw/zinc/84/04/72/1035840472.db2.gz MFXVLOCKHQQZPR-QGZVFWFLSA-N -1 0 337.419 3.907 20 0 EHADRM CC1CCN(c2ccc(C(=O)Nc3ccc(F)c(F)c3[O-])cn2)CC1 ZINC000457294040 1035925401 /nfs/dbraw/zinc/92/54/01/1035925401.db2.gz MYBIHSLJDDZGJI-UHFFFAOYSA-N -1 0 347.365 3.554 20 0 EHADRM Cc1nc([C@@H]2CCCO2)sc1C(=O)Nc1ccc(F)c(F)c1[O-] ZINC000457313904 1035943934 /nfs/dbraw/zinc/94/39/34/1035943934.db2.gz MJJZBMFYEQXQNX-JTQLQIEISA-N -1 0 340.351 3.539 20 0 EHADRM O=C(CO[C@H]1CCCc2ccccc21)Nc1ccc(F)c(F)c1[O-] ZINC000457303151 1035961754 /nfs/dbraw/zinc/96/17/54/1035961754.db2.gz XRIMLZLFOMZMQW-HNNXBMFYSA-N -1 0 333.334 3.703 20 0 EHADRM CC(C)Oc1cccc([C@@H](C)NC(=O)C2=C(C(=O)[O-])CCCC2)c1 ZINC000392693795 1035977011 /nfs/dbraw/zinc/97/70/11/1035977011.db2.gz BDTJNQNATPKMDN-CYBMUJFWSA-N -1 0 331.412 3.606 20 0 EHADRM CCCN(Cc1ccccc1)C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000174514029 1035982521 /nfs/dbraw/zinc/98/25/21/1035982521.db2.gz KISUTFIYUIWPHG-UHFFFAOYSA-N -1 0 349.434 3.526 20 0 EHADRM C[C@@H]1CCC[N@H+](CCOc2c(Cl)cccc2Cl)[C@H]1C(=O)[O-] ZINC000300293752 1036007654 /nfs/dbraw/zinc/00/76/54/1036007654.db2.gz HDFYOIVCIZPYCM-ZWNOBZJWSA-N -1 0 332.227 3.557 20 0 EHADRM C[C@@H]1CN(C(=O)c2cccc(Br)c2[O-])[C@H]2CCCC[C@H]12 ZINC000541132371 1036019945 /nfs/dbraw/zinc/01/99/45/1036019945.db2.gz PAEPKUGHBTXBHN-GYSYKLTISA-N -1 0 338.245 3.805 20 0 EHADRM Cn1ccc2c1cccc2[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000588834630 1036132587 /nfs/dbraw/zinc/13/25/87/1036132587.db2.gz MQMUQSCBJDCKBI-UHFFFAOYSA-N -1 0 326.830 3.694 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2OC(F)F)c(F)c1 ZINC000175015292 1036203994 /nfs/dbraw/zinc/20/39/94/1036203994.db2.gz BWPBWNQZNIGPQP-UHFFFAOYSA-N -1 0 345.342 3.845 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)cc1 ZINC000024425259 1036249615 /nfs/dbraw/zinc/24/96/15/1036249615.db2.gz HPPPOAYLNMXSKU-LBPRGKRZSA-N -1 0 329.425 3.877 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)N(c2ccccc2)c2ccccc2)C1 ZINC000263145557 1036393476 /nfs/dbraw/zinc/39/34/76/1036393476.db2.gz HCDKRWQPUKZIHI-CVEARBPZSA-N -1 0 338.407 3.987 20 0 EHADRM COc1c(C)cc(S(=O)(=O)[N-]c2cncc3ccccc32)cc1C ZINC000535387524 1036431437 /nfs/dbraw/zinc/43/14/37/1036431437.db2.gz XEWVAOFDVHMSFQ-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cc1C(F)(F)F)c1cccnc1 ZINC000082339807 1036482873 /nfs/dbraw/zinc/48/28/73/1036482873.db2.gz YBATWOLILCJAOL-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]c1cnc(C(F)(F)F)cc1C ZINC000685902191 1036502744 /nfs/dbraw/zinc/50/27/44/1036502744.db2.gz IJKDLAZNAFOWMX-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2ccc(F)cc2Br)c1 ZINC000013259530 1036600044 /nfs/dbraw/zinc/60/00/44/1036600044.db2.gz DMIYPGHVORLZNT-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM CSc1ccc(NC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1Cl ZINC000263200430 1036628080 /nfs/dbraw/zinc/62/80/80/1036628080.db2.gz XEYSQIDKTPEYCF-ZJUUUORDSA-N -1 0 342.848 3.636 20 0 EHADRM O=C(N=c1nc(-c2ccccc2Cl)[n-]s1)NCc1ccccc1 ZINC000541798212 1036656393 /nfs/dbraw/zinc/65/63/93/1036656393.db2.gz FWZKXMXATHYLHH-UHFFFAOYSA-N -1 0 344.827 3.602 20 0 EHADRM CCC[C@H](NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-])C1CCC1 ZINC001626250313 1036660191 /nfs/dbraw/zinc/66/01/91/1036660191.db2.gz ARBKWKBUHVTXFT-HNNXBMFYSA-N -1 0 345.418 3.724 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)s[n-]1 ZINC000589937802 1036664611 /nfs/dbraw/zinc/66/46/11/1036664611.db2.gz XUKDJSOHKBSLOF-NWDGAFQWSA-N -1 0 335.860 3.653 20 0 EHADRM CC(C)c1cccc(O[C@H](C)C(=O)N=c2nc(C(C)(C)C)[n-]s2)c1 ZINC000589937548 1036666963 /nfs/dbraw/zinc/66/69/63/1036666963.db2.gz MEZYZMYMWXJKPY-GFCCVEGCSA-N -1 0 347.484 3.787 20 0 EHADRM CC(C)(C)[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(F)(F)F ZINC000541828427 1036681830 /nfs/dbraw/zinc/68/18/30/1036681830.db2.gz ZOYUBOZMYFRSDI-JTQLQIEISA-N -1 0 347.761 3.734 20 0 EHADRM CN(CCc1ccc(Cl)cc1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000186356464 1036709775 /nfs/dbraw/zinc/70/97/75/1036709775.db2.gz NWTGDFPUGAHCPD-UHFFFAOYSA-N -1 0 343.732 3.778 20 0 EHADRM C[C@@H]1C[C@@H]1[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000263325399 1036778682 /nfs/dbraw/zinc/77/86/82/1036778682.db2.gz OOPKKWGZXJNFSZ-KKYDWHDCSA-N -1 0 335.831 3.654 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N2CCC[C@H]2c2ccccc2Cl)cc1 ZINC000263322606 1036786549 /nfs/dbraw/zinc/78/65/49/1036786549.db2.gz JJVKOZRITIUPMP-KRWDZBQOSA-N -1 0 343.810 3.944 20 0 EHADRM N#CC(=C([O-])c1ccc(C#N)[nH]1)c1nc2cc(Cl)ccc2s1 ZINC000152465546 1036807747 /nfs/dbraw/zinc/80/77/47/1036807747.db2.gz FYAWPKGSEMNZFP-SNVBAGLBSA-N -1 0 326.768 3.640 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(C)(C)CCCc2ccccc2)C1 ZINC000263374209 1036834656 /nfs/dbraw/zinc/83/46/56/1036834656.db2.gz WHMZHOUCMKFWPZ-DOTOQJQBSA-N -1 0 331.456 3.605 20 0 EHADRM O=C([O-])c1ccnc(C(=O)N(Cc2ccccc2)C2CCCCC2)c1 ZINC000263392055 1036837576 /nfs/dbraw/zinc/83/75/76/1036837576.db2.gz GMRRTGACBJBPBV-UHFFFAOYSA-N -1 0 338.407 3.755 20 0 EHADRM CC(C)c1cc(C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c2ccccc2n1 ZINC000263383159 1036839020 /nfs/dbraw/zinc/83/90/20/1036839020.db2.gz XPWBCXNRZUHLKW-KBPBESRZSA-N -1 0 340.423 3.541 20 0 EHADRM Cc1ccc(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)cc1Cl ZINC000237669583 1036847647 /nfs/dbraw/zinc/84/76/47/1036847647.db2.gz YFYGASDQAUWNRH-UHFFFAOYSA-N -1 0 343.810 3.847 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)[C@@H](C)C3(C)CC3)n2)cc1 ZINC000176331524 1036867690 /nfs/dbraw/zinc/86/76/90/1036867690.db2.gz NBZJINYGLHRNLC-AWEZNQCLSA-N -1 0 341.455 3.962 20 0 EHADRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)CC1CC(c2ccccc2)C1 ZINC000263421248 1036901094 /nfs/dbraw/zinc/90/10/94/1036901094.db2.gz IWBPUPOGMGOCAH-SYNTWQANSA-N -1 0 329.440 3.720 20 0 EHADRM CCS[C@H](C)c1noc(-c2nc[n-]c2C(=O)c2ccccc2)n1 ZINC000350170938 1036941146 /nfs/dbraw/zinc/94/11/46/1036941146.db2.gz SSGQOMRIHGSAQS-SNVBAGLBSA-N -1 0 328.397 3.505 20 0 EHADRM CCOc1ccc(NC(=O)c2c(C)ccc(C)c2C(=O)[O-])cc1OC ZINC000328046800 1036997136 /nfs/dbraw/zinc/99/71/36/1036997136.db2.gz YBQJHFWPBQMKSN-UHFFFAOYSA-N -1 0 343.379 3.661 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncc[nH]3)cc2)c(Cl)c1 ZINC000178192091 1037007117 /nfs/dbraw/zinc/00/71/17/1037007117.db2.gz QAHWPXIMRCDFSP-UHFFFAOYSA-N -1 0 347.827 3.839 20 0 EHADRM CC[C@H](CC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1)c1ccccc1 ZINC000103521746 1037026600 /nfs/dbraw/zinc/02/66/00/1037026600.db2.gz BCLKKZBDVWCMFT-CYBMUJFWSA-N -1 0 337.379 3.552 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)[C@@H]1CC[C@H]3CCCC[C@@H]3C1)C2 ZINC000328054378 1037040007 /nfs/dbraw/zinc/04/00/07/1037040007.db2.gz HVMUTHWWNOFOTO-BZUAXINKSA-N -1 0 341.451 3.876 20 0 EHADRM CCC[C@@H](CCc1ccccc1)NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000539677004 1037055349 /nfs/dbraw/zinc/05/53/49/1037055349.db2.gz RLMKBJWCUWZALJ-IBGZPJMESA-N -1 0 339.435 3.845 20 0 EHADRM COc1ccc(CCc2n[n-]c(=NCc3c(C)cccc3C)o2)cc1 ZINC000539694047 1037084366 /nfs/dbraw/zinc/08/43/66/1037084366.db2.gz RBYRUEBSTWGGFO-UHFFFAOYSA-N -1 0 337.423 3.514 20 0 EHADRM CCCc1n[n-]c(=NCc2ccc(OC(F)F)c(Cl)c2)s1 ZINC000539709301 1037098322 /nfs/dbraw/zinc/09/83/22/1037098322.db2.gz PISWSVCPWRSEFV-UHFFFAOYSA-N -1 0 333.791 3.779 20 0 EHADRM [O-]c1c(Cl)cc(Cl)cc1/C=N/[C@H]1CCN(CC(F)(F)F)C1 ZINC000057752773 1037118900 /nfs/dbraw/zinc/11/89/00/1037118900.db2.gz FWNVQCXEEXKACU-INOMVQKFSA-N -1 0 341.160 3.755 20 0 EHADRM CC(C)c1ccc(-c2ncc(C[S@@](=O)[C@@H](C)C(=O)[O-])s2)cc1 ZINC000590900260 1037130609 /nfs/dbraw/zinc/13/06/09/1037130609.db2.gz GRVNMMWFJYUVPL-KPWVOAKYSA-N -1 0 337.466 3.655 20 0 EHADRM CCc1n[n-]c(=NC(=O)N(Cc2cccc(F)c2)C2CCCC2)s1 ZINC000465177549 1037215639 /nfs/dbraw/zinc/21/56/39/1037215639.db2.gz IIXYCKMSFFQBMM-UHFFFAOYSA-N -1 0 348.447 3.638 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000659119309 1037285184 /nfs/dbraw/zinc/28/51/84/1037285184.db2.gz OCHUMIYJHLQNPP-YGRLFVJLSA-N -1 0 343.379 3.807 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(CC(F)(F)F)cc2)CC2(CCC2)C1 ZINC000659122432 1037306009 /nfs/dbraw/zinc/30/60/09/1037306009.db2.gz MLBYXVFEZPXRRD-UHFFFAOYSA-N -1 0 341.329 3.765 20 0 EHADRM O=C(Nc1cccc(O)c1F)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000187398370 1037336548 /nfs/dbraw/zinc/33/65/48/1037336548.db2.gz ILRORCVEOZVZLX-UHFFFAOYSA-N -1 0 337.763 3.889 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000659139698 1037354432 /nfs/dbraw/zinc/35/44/32/1037354432.db2.gz GMGOOYGHGLQTPB-HWPZZCPQSA-N -1 0 331.343 3.649 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)c(O)c1 ZINC000539939978 1037375975 /nfs/dbraw/zinc/37/59/75/1037375975.db2.gz JTWHTVRAJMJVIX-UHFFFAOYSA-N -1 0 345.342 3.829 20 0 EHADRM Cc1nc(=NCC2(c3cccc(Br)c3)CCC2)s[n-]1 ZINC000462791079 1037400622 /nfs/dbraw/zinc/40/06/22/1037400622.db2.gz QKXDLLBRNNOOOU-UHFFFAOYSA-N -1 0 338.274 3.565 20 0 EHADRM CC(C)c1ccc2c(c1)CN(C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)CC2 ZINC000659170629 1037410462 /nfs/dbraw/zinc/41/04/62/1037410462.db2.gz QUACMYMKFYBJCT-WKILWMFISA-N -1 0 329.440 3.586 20 0 EHADRM CC(C)[C@H](NC(=O)Cc1ccc(C(=O)[O-])cc1)c1ccccc1F ZINC000659179166 1037420744 /nfs/dbraw/zinc/42/07/44/1037420744.db2.gz JKHBMJCTCMMNGU-SFHVURJKSA-N -1 0 329.371 3.580 20 0 EHADRM CCCc1cc(C(=O)Nc2ccn([C@@H](CCC)C(=O)[O-])n2)sc1C ZINC000659184365 1037437441 /nfs/dbraw/zinc/43/74/41/1037437441.db2.gz CGZBMIITCSBJFK-ZDUSSCGKSA-N -1 0 349.456 3.884 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N[C@@H](c2ccccc2)C2CCC2)s1 ZINC000591479632 1037445127 /nfs/dbraw/zinc/44/51/27/1037445127.db2.gz IVVHGOWRGBZWAI-INIZCTEOSA-N -1 0 344.484 3.821 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)CC(C)(C)c2ccccc2)n1 ZINC000659187467 1037452195 /nfs/dbraw/zinc/45/21/95/1037452195.db2.gz POCHDAXKKPSPIK-HNNXBMFYSA-N -1 0 343.427 3.615 20 0 EHADRM CSc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)cc1 ZINC000659196997 1037454651 /nfs/dbraw/zinc/45/46/51/1037454651.db2.gz ZBCCNDISDCQTOT-PMPSAXMXSA-N -1 0 333.453 3.514 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000653286478 1037462311 /nfs/dbraw/zinc/46/23/11/1037462311.db2.gz ZFYUKUVBFRAEEF-UHFFFAOYSA-N -1 0 335.734 3.771 20 0 EHADRM Fc1cccc(F)c1[C@@H]1C[C@@H]1N=c1nc(-c2ccccc2)[n-]s1 ZINC000462847709 1037462739 /nfs/dbraw/zinc/46/27/39/1037462739.db2.gz GXVIHJRDBWYNPQ-RISCZKNCSA-N -1 0 329.375 3.873 20 0 EHADRM O=C([O-])C[C@@H](CNC(=O)c1sccc1-c1ccccc1)C1CC1 ZINC000659204997 1037470949 /nfs/dbraw/zinc/47/09/49/1037470949.db2.gz QPFJHGTZRDMYDS-AWEZNQCLSA-N -1 0 329.421 3.646 20 0 EHADRM CCCc1ccc(CCCC(=O)NCc2ccoc2C(=O)[O-])cc1 ZINC000659201884 1037474044 /nfs/dbraw/zinc/47/40/44/1037474044.db2.gz VFOMDYKPXJMCIG-UHFFFAOYSA-N -1 0 329.396 3.569 20 0 EHADRM Cc1cc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)cc(C)c1O ZINC001211918443 1037475553 /nfs/dbraw/zinc/47/55/53/1037475553.db2.gz FWRCRQFFFHUSEO-UHFFFAOYSA-N -1 0 327.789 3.653 20 0 EHADRM CC(C)[C@@H](C(=O)NCc1ccoc1C(=O)[O-])c1cccc(Cl)c1 ZINC000659200569 1037475671 /nfs/dbraw/zinc/47/56/71/1037475671.db2.gz JDPPMNNDBVWUHB-CQSZACIVSA-N -1 0 335.787 3.687 20 0 EHADRM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cnn([C@@H](C)C2CC2)c1 ZINC000187740767 1037496601 /nfs/dbraw/zinc/49/66/01/1037496601.db2.gz NDAHCQRSIIGHKN-NSHDSACASA-N -1 0 339.848 3.617 20 0 EHADRM CCOc1ccccc1-c1cccc(C(=O)N(C)[C@H](C)CC(=O)[O-])c1 ZINC000659218286 1037502540 /nfs/dbraw/zinc/50/25/40/1037502540.db2.gz BACKIZVILBTJOS-CQSZACIVSA-N -1 0 341.407 3.688 20 0 EHADRM Cc1cc(C(=O)N[C@](C)(CCF)C(=O)[O-])sc1-c1ccccc1 ZINC000659216550 1037508030 /nfs/dbraw/zinc/50/80/30/1037508030.db2.gz ZKTGBEMNSDQINW-QGZVFWFLSA-N -1 0 335.400 3.656 20 0 EHADRM C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc3ccccc32)CC[C@@H]1C(=O)[O-] ZINC000659224671 1037519112 /nfs/dbraw/zinc/51/91/12/1037519112.db2.gz YGSDLFKZHYHRAI-UVDFWXMISA-N -1 0 337.419 3.513 20 0 EHADRM C[C@H](C(=O)N[C@H]1CCC[C@@]1(C)C(=O)[O-])c1c(Cl)cccc1Cl ZINC000659236761 1037552532 /nfs/dbraw/zinc/55/25/32/1037552532.db2.gz HRMCJDLSKRMPGB-RVIYUIFMSA-N -1 0 344.238 3.857 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000659239917 1037561537 /nfs/dbraw/zinc/56/15/37/1037561537.db2.gz PECHGMFLXGEULN-XLIONFOSSA-N -1 0 336.391 3.694 20 0 EHADRM COc1ccc(CCCCCC(=O)N[C@H]2CCC[C@@]2(C)C(=O)[O-])cc1 ZINC000659237254 1037567564 /nfs/dbraw/zinc/56/75/64/1037567564.db2.gz JMSHWTZAIPZQKX-FXAWDEMLSA-N -1 0 347.455 3.558 20 0 EHADRM O=C(/C=C\[C@H]1CCOC1)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000493706380 1037569504 /nfs/dbraw/zinc/56/95/04/1037569504.db2.gz LYHYTOYTHHOXQH-XRHZSYRXSA-N -1 0 336.602 3.884 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1Cl ZINC000591794809 1037605663 /nfs/dbraw/zinc/60/56/63/1037605663.db2.gz BWQYVJKYUHYLBH-UHFFFAOYSA-N -1 0 335.734 3.867 20 0 EHADRM CC(C)c1ccc(SCC(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000532556340 1037624042 /nfs/dbraw/zinc/62/40/42/1037624042.db2.gz DPFALNYBTORGKA-UHFFFAOYSA-N -1 0 343.448 3.917 20 0 EHADRM CN(Cc1ccc2ccccc2c1)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000532569785 1037669076 /nfs/dbraw/zinc/66/90/76/1037669076.db2.gz XBBCCDDHEZYMLM-UHFFFAOYSA-N -1 0 332.407 3.593 20 0 EHADRM O=C([O-])C1(CNC(=O)c2ccc(-c3ccccc3F)o2)CCCCC1 ZINC000431855211 1037675914 /nfs/dbraw/zinc/67/59/14/1037675914.db2.gz AFZODMCQNVZHFK-UHFFFAOYSA-N -1 0 345.370 3.851 20 0 EHADRM Cc1nc2ccc(CN=c3[n-]nc(C(F)(F)F)s3)cc2s1 ZINC000491895931 1037753345 /nfs/dbraw/zinc/75/33/45/1037753345.db2.gz VICUGDIWBDJOBF-UHFFFAOYSA-N -1 0 330.360 3.509 20 0 EHADRM O=C(c1ccccc1O)N1CC(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000378058602 1037778351 /nfs/dbraw/zinc/77/83/51/1037778351.db2.gz WVHVORLBKNOHDP-UHFFFAOYSA-N -1 0 335.325 3.726 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1C ZINC000540289651 1037784354 /nfs/dbraw/zinc/78/43/54/1037784354.db2.gz MMQAUELKKTZDEU-UHFFFAOYSA-N -1 0 347.383 3.935 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2sccc2OC)cc1CC ZINC000540294790 1037788493 /nfs/dbraw/zinc/78/84/93/1037788493.db2.gz UKIOQAROJGRUKH-UHFFFAOYSA-N -1 0 325.455 3.682 20 0 EHADRM CCc1cc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)oc1CC ZINC000669434122 1037808792 /nfs/dbraw/zinc/80/87/92/1037808792.db2.gz JWUPVJGVYSOQDS-AWEZNQCLSA-N -1 0 327.380 3.623 20 0 EHADRM CCOc1cccc([C@@H](C)NC(=O)c2cc(F)c(F)c([O-])c2F)c1 ZINC000183508090 1037951984 /nfs/dbraw/zinc/95/19/84/1037951984.db2.gz ZTBLXGKDLUHPAA-SECBINFHSA-N -1 0 339.313 3.699 20 0 EHADRM Cc1c(CNC(=O)c2cc(F)c(F)c([O-])c2F)oc2ccccc12 ZINC000183625357 1037958412 /nfs/dbraw/zinc/95/84/12/1037958412.db2.gz BGMMXSFWHLDHCR-UHFFFAOYSA-N -1 0 335.281 3.794 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)/C=C/c2cscn2)c1 ZINC000492115314 1037996051 /nfs/dbraw/zinc/99/60/51/1037996051.db2.gz FEUQMZKPCZUSDY-SNAWJCMRSA-N -1 0 348.449 3.503 20 0 EHADRM C[C@]([N-]S(=O)(=O)c1cccs1)(c1ccccc1)C(F)(F)F ZINC000463381813 1038084308 /nfs/dbraw/zinc/08/43/08/1038084308.db2.gz PPJXEAUEBNRRIS-LBPRGKRZSA-N -1 0 335.372 3.504 20 0 EHADRM CC(C)(C(=O)Nc1ccc(O)c(C(F)(F)F)c1)C1CCC(O)CC1 ZINC000416181333 1038279983 /nfs/dbraw/zinc/27/99/83/1038279983.db2.gz RSQAFPQFPREFDR-UHFFFAOYSA-N -1 0 345.361 3.927 20 0 EHADRM CC[C@@H]1[C@@H](C)CCN1C(=O)c1cc(F)cc(Br)c1[O-] ZINC000416210028 1038337939 /nfs/dbraw/zinc/33/79/39/1038337939.db2.gz NWXNNETUHKQKKN-QPUJVOFHSA-N -1 0 330.197 3.554 20 0 EHADRM CC(C)c1n[n-]c(=NCc2ccc(OC(F)F)c(Cl)c2)s1 ZINC000538608901 1038435205 /nfs/dbraw/zinc/43/52/05/1038435205.db2.gz JAJYTFVUYYAJIX-UHFFFAOYSA-N -1 0 333.791 3.950 20 0 EHADRM Fc1cccc(Cl)c1COc1ccc(CN=c2[n-]ncs2)cc1 ZINC000538609722 1038437449 /nfs/dbraw/zinc/43/74/49/1038437449.db2.gz YVSWDPWKRJZFPG-UHFFFAOYSA-N -1 0 349.818 3.944 20 0 EHADRM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1nc2ccsc2s1 ZINC000538979369 1038622863 /nfs/dbraw/zinc/62/28/63/1038622863.db2.gz HEFJEGXLUGSGSZ-UHFFFAOYSA-N -1 0 346.405 3.578 20 0 EHADRM CCCc1nc(=N[C@@H](CC)c2nc(-c3ccccc3)c[nH]2)s[n-]1 ZINC000461953243 1038691432 /nfs/dbraw/zinc/69/14/32/1038691432.db2.gz AOIKCKHLGMWCSB-ZDUSSCGKSA-N -1 0 327.457 3.866 20 0 EHADRM CC[C@H](OCCN=c1[n-]nc(-c2ccccn2)s1)c1ccccc1 ZINC000651393014 1038761851 /nfs/dbraw/zinc/76/18/51/1038761851.db2.gz IHGXZFUHTACCGL-INIZCTEOSA-N -1 0 340.452 3.602 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)C1CCC(C(F)(F)F)CC1)C1CCCCC1 ZINC000910234715 1038778641 /nfs/dbraw/zinc/77/86/41/1038778641.db2.gz VZAZCPCPUJBTDD-RUXDESIVSA-N -1 0 349.393 3.752 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cccc(C3CCC3)c2)[C@@H]2CCC[C@@H]21 ZINC000910243476 1038784573 /nfs/dbraw/zinc/78/45/73/1038784573.db2.gz XTHCOHFQWSKWFB-KZNAEPCWSA-N -1 0 327.424 3.670 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1O ZINC000086170821 1038798761 /nfs/dbraw/zinc/79/87/61/1038798761.db2.gz IGIJDHJHAFVJLF-UHFFFAOYSA-N -1 0 335.425 3.597 20 0 EHADRM O=C([O-])c1cccc(C=C(Cc2ccccc2)c2nccc(=O)[nH]2)c1 ZINC000432697624 1038809105 /nfs/dbraw/zinc/80/91/05/1038809105.db2.gz SAGWRNCOHCAVIP-LGMDPLHJSA-N -1 0 332.359 3.664 20 0 EHADRM O=C([O-])C12CCC(C(=O)Nc3ccc(F)c(C(F)F)c3)(CC1)C2 ZINC000910335990 1038836114 /nfs/dbraw/zinc/83/61/14/1038836114.db2.gz BQYHUITXMVIZNL-UHFFFAOYSA-N -1 0 327.302 3.737 20 0 EHADRM Cc1nc(CN[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)sc1C ZINC000905402866 1038858892 /nfs/dbraw/zinc/85/88/92/1038858892.db2.gz JLSMJESKYMJYKK-ZDUSSCGKSA-N -1 0 344.358 3.694 20 0 EHADRM CSc1ccccc1CC(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1 ZINC000910367942 1038867157 /nfs/dbraw/zinc/86/71/57/1038867157.db2.gz PMBHCCYJOJZCQN-INIZCTEOSA-N -1 0 343.448 3.592 20 0 EHADRM Cc1cc2scc(CC(=O)N3CC[C@]4(C(=O)[O-])CCC[C@H]34)c2s1 ZINC000910398323 1038881344 /nfs/dbraw/zinc/88/13/44/1038881344.db2.gz OEBAPOJUFZUDSW-SUMWQHHRSA-N -1 0 349.477 3.670 20 0 EHADRM CCCc1[nH]ccc1C(=O)N[C@H](CC(=O)[O-])c1ccccc1Cl ZINC000910407248 1038890858 /nfs/dbraw/zinc/89/08/58/1038890858.db2.gz XSGFKRMBXVYILE-OAHLLOKOSA-N -1 0 334.803 3.566 20 0 EHADRM Cc1nc2cc(CNc3ccc(C(=O)[O-])c(C)n3)ccc2n1C1CC1 ZINC000910379445 1038890990 /nfs/dbraw/zinc/89/09/90/1038890990.db2.gz ZCLMIYILBMRLER-UHFFFAOYSA-N -1 0 336.395 3.693 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cccc(C)c2Cl)cc2n[nH]cc21 ZINC000539398080 1038899472 /nfs/dbraw/zinc/89/94/72/1038899472.db2.gz GVVDKMVCUOZVNC-UHFFFAOYSA-N -1 0 335.816 3.634 20 0 EHADRM [O-]c1cnc(Cl)cc1-c1nc(-c2ccc(C(F)(F)F)nc2)no1 ZINC001213942336 1038921376 /nfs/dbraw/zinc/92/13/76/1038921376.db2.gz QWWPDMYGSZOMFL-UHFFFAOYSA-N -1 0 342.664 3.571 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N2C[C@H](C)[C@H]2c2ccccc2)s1 ZINC000479959127 1038925842 /nfs/dbraw/zinc/92/58/42/1038925842.db2.gz DFJAOEITNOHPGL-BBRMVZONSA-N -1 0 344.484 3.918 20 0 EHADRM O=C([O-])C1(C(F)(F)F)CCN(c2nccc3sccc32)CC1 ZINC000910470368 1038929086 /nfs/dbraw/zinc/92/90/86/1038929086.db2.gz BAGFINIUFSABLM-UHFFFAOYSA-N -1 0 330.331 3.530 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1nccc2ccsc21 ZINC000910504705 1038952847 /nfs/dbraw/zinc/95/28/47/1038952847.db2.gz SWJIUVKFQIMRCQ-UHFFFAOYSA-N -1 0 334.441 3.505 20 0 EHADRM CC(C)CCn1ccc(NC(=O)c2cc(C(=O)[O-])ccc2Cl)n1 ZINC000910641928 1038999052 /nfs/dbraw/zinc/99/90/52/1038999052.db2.gz WCGQNIKHHPDIOS-UHFFFAOYSA-N -1 0 335.791 3.533 20 0 EHADRM CCCCn1ncc(NC(=O)Cc2cccc(C(=O)[O-])c2)c1C(C)C ZINC000910656943 1039004448 /nfs/dbraw/zinc/00/44/48/1039004448.db2.gz RPTNUMOTIIKUCM-UHFFFAOYSA-N -1 0 343.427 3.686 20 0 EHADRM O=C([O-])Cc1cnc(NC(=O)C2CCC(c3ccccc3)CC2)s1 ZINC000910672468 1039013620 /nfs/dbraw/zinc/01/36/20/1039013620.db2.gz BOZXSGRYAHSTPA-UHFFFAOYSA-N -1 0 344.436 3.683 20 0 EHADRM CCC[C@H]1CCCCN1C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000552162423 1039025423 /nfs/dbraw/zinc/02/54/23/1039025423.db2.gz TUEQVYVRPLRPDC-AWEZNQCLSA-N -1 0 331.391 3.512 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)[C@H]2CCCC3(CC3)C2)nc1C(=O)[O-] ZINC000910720739 1039030870 /nfs/dbraw/zinc/03/08/70/1039030870.db2.gz LYIONBDZSGSJDG-STQMWFEESA-N -1 0 348.468 3.784 20 0 EHADRM Cc1cc(C(F)F)oc1C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910741208 1039050680 /nfs/dbraw/zinc/05/06/80/1039050680.db2.gz FVOOEHXYQRIFBT-UHFFFAOYSA-N -1 0 342.323 3.810 20 0 EHADRM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cnn([C@@H](C)C3CC3)c2)cc1 ZINC000488315923 1039081524 /nfs/dbraw/zinc/08/15/24/1039081524.db2.gz FQXRSVPLLHDIKC-AWEZNQCLSA-N -1 0 347.484 3.853 20 0 EHADRM O=C([O-])CC1CCN(C(=O)c2ccccc2OC2CCCCC2)CC1 ZINC000485463651 1039108064 /nfs/dbraw/zinc/10/80/64/1039108064.db2.gz QAPYISVOBDCODK-UHFFFAOYSA-N -1 0 345.439 3.725 20 0 EHADRM O=C([O-])[C@@H]1CCCCCN1C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000325607461 1039109093 /nfs/dbraw/zinc/10/90/93/1039109093.db2.gz IRXHQSBMZPDQJM-LBPRGKRZSA-N -1 0 348.296 3.706 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(-c3cccc(F)c3)s2)C[C@H]1CC(=O)[O-] ZINC000910851464 1039118594 /nfs/dbraw/zinc/11/85/94/1039118594.db2.gz PEZLWONTCKQZAT-DGCLKSJQSA-N -1 0 347.411 3.737 20 0 EHADRM C[C@@H](C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1)c1ccc2ccccc2c1 ZINC000910858319 1039125090 /nfs/dbraw/zinc/12/50/90/1039125090.db2.gz URRIFAFLVLYMDI-HBUWYVDXSA-N -1 0 325.408 3.513 20 0 EHADRM COCC1(C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)CCCCC1 ZINC000910945522 1039167977 /nfs/dbraw/zinc/16/79/77/1039167977.db2.gz BWUDGARFBRAKEK-UHFFFAOYSA-N -1 0 337.441 3.642 20 0 EHADRM CCN(C(=O)c1ccc(C(C)(C)C)cn1)c1cccc(C(=O)[O-])c1 ZINC000910968340 1039172736 /nfs/dbraw/zinc/17/27/36/1039172736.db2.gz UUAJYMATMZYDPK-UHFFFAOYSA-N -1 0 326.396 3.744 20 0 EHADRM Cc1cc(Cl)cc(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)CC2)c1 ZINC000911017975 1039185978 /nfs/dbraw/zinc/18/59/78/1039185978.db2.gz NFJABFLPPFAKIY-UHFFFAOYSA-N -1 0 349.736 3.518 20 0 EHADRM CCCC[C@H](CC)CC(=O)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC000911036412 1039210137 /nfs/dbraw/zinc/21/01/37/1039210137.db2.gz YHIUGDSPABPNBK-QWHCGFSZSA-N -1 0 338.473 3.764 20 0 EHADRM FC1(F)CC(CN=c2[n-]nc(Cc3ccc(Cl)cc3)s2)C1 ZINC000488470282 1039212582 /nfs/dbraw/zinc/21/25/82/1039212582.db2.gz VEGIZTMJVJDGPM-UHFFFAOYSA-N -1 0 329.803 3.661 20 0 EHADRM CCNc1ccc(C(=O)[O-])cc1NC(=O)c1ccn(C(CC)CC)n1 ZINC000911084441 1039217039 /nfs/dbraw/zinc/21/70/39/1039217039.db2.gz DEYRKFRGMYKOSD-UHFFFAOYSA-N -1 0 344.415 3.627 20 0 EHADRM COc1ccc([C@H](NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)C2CCC2)cc1 ZINC000911063038 1039220113 /nfs/dbraw/zinc/22/01/13/1039220113.db2.gz SEPKYHKBHIFQTI-LZLYRXPVSA-N -1 0 345.439 3.544 20 0 EHADRM Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC000911070109 1039221625 /nfs/dbraw/zinc/22/16/25/1039221625.db2.gz GJNRPTYFWVKVKE-UHFFFAOYSA-N -1 0 329.400 3.514 20 0 EHADRM CCNc1ccc(C(=O)[O-])cc1NC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000911085350 1039241133 /nfs/dbraw/zinc/24/11/33/1039241133.db2.gz STZUHPJUISPCJI-CXAGYDPISA-N -1 0 348.443 3.596 20 0 EHADRM COc1ccc(Cl)c(NC(=O)CC2CCC(C(=O)[O-])CC2)c1 ZINC000911166456 1039266405 /nfs/dbraw/zinc/26/64/05/1039266405.db2.gz SFIIYNNWRKCKTA-UHFFFAOYSA-N -1 0 325.792 3.568 20 0 EHADRM Cc1cc(NC(=O)c2ccc(/C=C/C(=O)[O-])o2)ccc1N1CCCC1 ZINC000911213759 1039286340 /nfs/dbraw/zinc/28/63/40/1039286340.db2.gz ANWROCSJBQTZRP-RMKNXTFCSA-N -1 0 340.379 3.538 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cccc(C(C)(F)F)c2)c(F)c1 ZINC000480191430 1039296746 /nfs/dbraw/zinc/29/67/46/1039296746.db2.gz ATIGJIWXLKXXEC-UHFFFAOYSA-N -1 0 345.342 3.747 20 0 EHADRM O=C([O-])C1CCC(CC(=O)Nc2cccc(N3CCCCC3)c2)CC1 ZINC000911251726 1039299459 /nfs/dbraw/zinc/29/94/59/1039299459.db2.gz ZMFGKACCWRUOPI-UHFFFAOYSA-N -1 0 344.455 3.897 20 0 EHADRM COc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000480215589 1039307551 /nfs/dbraw/zinc/30/75/51/1039307551.db2.gz RZGZWAVLCLHMFA-UHFFFAOYSA-N -1 0 332.208 3.803 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)N2CCC[C@H](c3ccccc3)C2)s[n-]1 ZINC000432812653 1039338188 /nfs/dbraw/zinc/33/81/88/1039338188.db2.gz RCHKTMDVPMDWJX-AWEZNQCLSA-N -1 0 344.484 3.669 20 0 EHADRM COc1ccc2cc([C@@H](C)C(=O)N(CCC(=O)[O-])C(C)C)ccc2c1 ZINC000237319747 1039339992 /nfs/dbraw/zinc/33/99/92/1039339992.db2.gz LGHWPROQJMYQPA-CQSZACIVSA-N -1 0 343.423 3.664 20 0 EHADRM CCc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(/C=C\C(=O)[O-])o2)s1 ZINC000911428779 1039358603 /nfs/dbraw/zinc/35/86/03/1039358603.db2.gz WKBCXVBGJGYOQI-DVBBHNHCSA-N -1 0 348.424 3.538 20 0 EHADRM O=C([O-])CSCCC(=O)N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000911452029 1039379255 /nfs/dbraw/zinc/37/92/55/1039379255.db2.gz JMLGCMPMXWPUNQ-CQSZACIVSA-N -1 0 341.860 3.602 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000237604491 1039397627 /nfs/dbraw/zinc/39/76/27/1039397627.db2.gz BZTMFONBROXSPD-LLVKDONJSA-N -1 0 341.194 3.576 20 0 EHADRM CCOc1ccc(-c2nn(C(C)(C)C)cc2C(=O)[O-])cc1OCC ZINC000584666038 1039415770 /nfs/dbraw/zinc/41/57/70/1039415770.db2.gz ICRQOXUBMLPLPC-UHFFFAOYSA-N -1 0 332.400 3.801 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)Cc2c[nH]c3ccc(F)cc23)cc1 ZINC000237943255 1039457643 /nfs/dbraw/zinc/45/76/43/1039457643.db2.gz PMSKLKDNNQZYNI-FPYGCLRLSA-N -1 0 338.338 3.586 20 0 EHADRM CC(C)Oc1c(NC(=O)C[C@@H]2CCC3(CCC3)O2)cccc1C(=O)[O-] ZINC000911733415 1039490120 /nfs/dbraw/zinc/49/01/20/1039490120.db2.gz XGMIBVRFYNMUOY-ZDUSSCGKSA-N -1 0 347.411 3.602 20 0 EHADRM CC(C)Oc1c(NC(=O)CC[C@@H]2CC(C)(C)CO2)cccc1C(=O)[O-] ZINC000911733431 1039490877 /nfs/dbraw/zinc/49/08/77/1039490877.db2.gz YHJYRJGUFPJUMK-CYBMUJFWSA-N -1 0 349.427 3.706 20 0 EHADRM O=C([O-])CCCCNC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000238181031 1039504621 /nfs/dbraw/zinc/50/46/21/1039504621.db2.gz XHEJNZZLZHEGDB-GOSISDBHSA-N -1 0 343.448 3.891 20 0 EHADRM CCCCCc1nnc(NC(=O)c2ccc(Cl)nc2F)s1 ZINC000906366440 1039514804 /nfs/dbraw/zinc/51/48/04/1039514804.db2.gz AGRHIIPUZHOAIR-UHFFFAOYSA-N -1 0 328.800 3.711 20 0 EHADRM c1cc(OCC2CC2)ccc1CN=c1[n-]nc(C2CCCCC2)o1 ZINC000478567653 1039531022 /nfs/dbraw/zinc/53/10/22/1039531022.db2.gz IIILASVGUFHILU-UHFFFAOYSA-N -1 0 327.428 3.940 20 0 EHADRM CC(C)(C)c1nc(=NCC2CCN(c3ccccc3)CC2)s[n-]1 ZINC000480495835 1039602903 /nfs/dbraw/zinc/60/29/03/1039602903.db2.gz CNSCXKRSUAHRTA-UHFFFAOYSA-N -1 0 330.501 3.586 20 0 EHADRM O=C(CCc1cncnc1)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000345055360 1039603785 /nfs/dbraw/zinc/60/37/85/1039603785.db2.gz YTBPFMMIMZNCGU-UHFFFAOYSA-N -1 0 346.601 3.714 20 0 EHADRM CC(C)c1ncc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)cn1 ZINC000478689502 1039622117 /nfs/dbraw/zinc/62/21/17/1039622117.db2.gz ZTDWBOASMFHFBS-UHFFFAOYSA-N -1 0 333.457 3.698 20 0 EHADRM CCc1cnc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)s1 ZINC000554726646 1039631755 /nfs/dbraw/zinc/63/17/55/1039631755.db2.gz FKLXGNZVFCIMID-UHFFFAOYSA-N -1 0 337.253 3.813 20 0 EHADRM CCCCCN(Cc1ccc(Cl)cc1)C(=O)N=c1cccn[n-]1 ZINC000478705674 1039644808 /nfs/dbraw/zinc/64/48/08/1039644808.db2.gz YCHBEEYYLYGFFW-UHFFFAOYSA-N -1 0 332.835 3.776 20 0 EHADRM Cc1ccc(Cc2n[n-]c(=NC(=O)N3CCCC[C@H](C)C3)s2)cc1 ZINC000480550433 1039673003 /nfs/dbraw/zinc/67/30/03/1039673003.db2.gz FBQVGGXYHPGUHI-AWEZNQCLSA-N -1 0 344.484 3.513 20 0 EHADRM CC(C)(CC(=O)N=c1nc(-c2cccnc2)[n-]s1)C1CCCCC1 ZINC000480586491 1039733437 /nfs/dbraw/zinc/73/34/37/1039733437.db2.gz UURCFYRIEJXREX-UHFFFAOYSA-N -1 0 344.484 3.957 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)CCCc1cccs1 ZINC000549732943 1039746906 /nfs/dbraw/zinc/74/69/06/1039746906.db2.gz VZOWCSWGHJUGQQ-UHFFFAOYSA-N -1 0 342.424 3.509 20 0 EHADRM CCOc1cccc(-c2cccc(NS(=O)(=O)CCC3CC3)n2)c1 ZINC000485995356 1039768358 /nfs/dbraw/zinc/76/83/58/1039768358.db2.gz CDRBLSLGIZGDIC-UHFFFAOYSA-N -1 0 346.452 3.689 20 0 EHADRM Cc1cc2cc(C(=O)N3CCc4ccccc4[C@@H]3C(=O)[O-])oc2cc1C ZINC000486018611 1039780873 /nfs/dbraw/zinc/78/08/73/1039780873.db2.gz SMOXPQSOAHTRRZ-LJQANCHMSA-N -1 0 349.386 3.874 20 0 EHADRM O=C([O-])c1ccc2nc(/C=C/c3cnc4ccc(Cl)cn34)oc2c1 ZINC000486076957 1039843856 /nfs/dbraw/zinc/84/38/56/1039843856.db2.gz MDUGDYIGBIKYKS-ZZXKWVIFSA-N -1 0 339.738 3.998 20 0 EHADRM C[C@@H]1CC[C@@H](CSc2n[n-]c(=Nc3ccccc3F)s2)O1 ZINC000473402897 1039925347 /nfs/dbraw/zinc/92/53/47/1039925347.db2.gz SEOVOEPPNNPYNA-ZJUUUORDSA-N -1 0 325.434 3.502 20 0 EHADRM Nc1cc(F)c(Br)cc1Nc1ccc(C(=O)[O-])s1 ZINC001174809048 1132479361 /nfs/dbraw/zinc/47/93/61/1132479361.db2.gz BCESXBSZPNWCLH-UHFFFAOYSA-N -1 0 331.166 3.674 20 0 EHADRM CCCc1nc(=NC(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)s[n-]1 ZINC000554938963 1039978398 /nfs/dbraw/zinc/97/83/98/1039978398.db2.gz LTIFAIHRTFBKIM-GXTWGEPZSA-N -1 0 348.447 3.509 20 0 EHADRM CC(C)c1nc(=N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)s[n-]1 ZINC000553335950 1039984278 /nfs/dbraw/zinc/98/42/78/1039984278.db2.gz BEUPDMJNRRFTNA-LBPRGKRZSA-N -1 0 346.283 3.926 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2nccc(-c3ccccc3)n2)c1 ZINC000479140695 1039997733 /nfs/dbraw/zinc/99/77/33/1039997733.db2.gz LZIWMGUKIHKCNW-UHFFFAOYSA-N -1 0 339.420 3.507 20 0 EHADRM Cc1cc(C)cc([C@H](NCc2cnc([C@@H]3CCCO3)s2)C(=O)[O-])c1 ZINC000417564670 1040012645 /nfs/dbraw/zinc/01/26/45/1040012645.db2.gz OSZRDWSFWDJSQG-HOTGVXAUSA-N -1 0 346.452 3.527 20 0 EHADRM O=S(=O)([N-]c1ccccc1-c1ccccc1)c1cncc(F)c1 ZINC000063476339 1040019314 /nfs/dbraw/zinc/01/93/14/1040019314.db2.gz VRKWBCFIKIXYAG-UHFFFAOYSA-N -1 0 328.368 3.689 20 0 EHADRM CC(=O)Nc1ccc(CNc2ccc(CCCC(=O)[O-])cc2)cc1 ZINC000417580125 1040026174 /nfs/dbraw/zinc/02/61/74/1040026174.db2.gz CLEDICRTPYWXHD-UHFFFAOYSA-N -1 0 326.396 3.664 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])[NH2+]Cc2cnc(C(C)C)s2)c1 ZINC000417584836 1040033738 /nfs/dbraw/zinc/03/37/38/1040033738.db2.gz OGDADNGCXIRBHU-OAHLLOKOSA-N -1 0 334.441 3.581 20 0 EHADRM CC(C)Oc1c(NCc2ccc3c(c2)OCCO3)cccc1C(=O)[O-] ZINC000417594076 1040048083 /nfs/dbraw/zinc/04/80/83/1040048083.db2.gz VONQUSINJRWMJF-UHFFFAOYSA-N -1 0 343.379 3.555 20 0 EHADRM O=C([O-])[C@@H](CC(F)F)[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000417597403 1040053542 /nfs/dbraw/zinc/05/35/42/1040053542.db2.gz SXYGWKCOUMDIKI-GFCCVEGCSA-N -1 0 329.730 3.798 20 0 EHADRM C[C@H](N=c1[n-]nc(C(C)(C)C)s1)c1ccc(Br)cn1 ZINC000480822967 1040066386 /nfs/dbraw/zinc/06/63/86/1040066386.db2.gz LBUYDSBCWYDWCR-QMMMGPOBSA-N -1 0 341.278 3.588 20 0 EHADRM O=C([O-])c1ccc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)c(F)c1 ZINC000584849539 1040090510 /nfs/dbraw/zinc/09/05/10/1040090510.db2.gz ILCHPQTZWNJZTQ-QGZVFWFLSA-N -1 0 349.789 3.751 20 0 EHADRM CCC1(C(=O)NC[C@@H](Cc2cccc3ccccc32)C(=O)[O-])CCC1 ZINC000486400078 1040115654 /nfs/dbraw/zinc/11/56/54/1040115654.db2.gz DCSGSFSLWWQIFL-QGZVFWFLSA-N -1 0 339.435 3.780 20 0 EHADRM CCCn1c(CN[C@H](CCC(C)(C)C)C(=O)[O-])nc2ccccc21 ZINC000417640073 1040120042 /nfs/dbraw/zinc/12/00/42/1040120042.db2.gz VVFNCFXQZDACGC-OAHLLOKOSA-N -1 0 331.460 3.815 20 0 EHADRM CC(C)Cc1ccc(C(=O)N(C)c2ccc(OCC(=O)[O-])cc2)s1 ZINC000907674435 1040125208 /nfs/dbraw/zinc/12/52/08/1040125208.db2.gz MFNVLODLWHEZKY-UHFFFAOYSA-N -1 0 347.436 3.687 20 0 EHADRM CC1=C(C)C[C@](C)(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)CC2)CC1 ZINC000907785981 1040169702 /nfs/dbraw/zinc/16/97/02/1040169702.db2.gz KJVIAUHSTSCWBP-OAHLLOKOSA-N -1 0 347.377 3.769 20 0 EHADRM Cc1ccc(-c2nc(CN[C@H](CC3CCC3)C(=O)[O-])cs2)cc1 ZINC000417706158 1040179082 /nfs/dbraw/zinc/17/90/82/1040179082.db2.gz OKVRSEAPFYJJDY-MRXNPFEDSA-N -1 0 330.453 3.852 20 0 EHADRM CCCN(C(=O)c1ccc2oc(=O)nc-2[n-]1)[C@H](CC)c1ccccc1 ZINC000667473478 1040197441 /nfs/dbraw/zinc/19/74/41/1040197441.db2.gz LAXJUHHRZBHJGB-OAHLLOKOSA-N -1 0 339.395 3.932 20 0 EHADRM Cc1cccc(C)c1CN(C)C(=O)CCc1ccccc1C(=O)[O-] ZINC000907891148 1040218548 /nfs/dbraw/zinc/21/85/48/1040218548.db2.gz UYESZHXSESBDMX-UHFFFAOYSA-N -1 0 325.408 3.593 20 0 EHADRM Cc1cc(N2CCCCCC2)ccc1NC(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000417770676 1040228004 /nfs/dbraw/zinc/22/80/04/1040228004.db2.gz FUAIXTSPIHUZPW-HNNXBMFYSA-N -1 0 347.459 3.560 20 0 EHADRM C[C@@H](CC(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@H]12)Cc1ccc(Cl)cc1 ZINC000907938707 1040237721 /nfs/dbraw/zinc/23/77/21/1040237721.db2.gz DDIYZAFNLIGPBF-UQTKTIGESA-N -1 0 349.858 3.524 20 0 EHADRM C[C@]12CC3CC(C(=O)N[C@@H]4C[C@@H]5C[C@@H](C(=O)[O-])C[C@H]45)(C1)C[C@@](C)(C3)C2 ZINC000907936905 1040237935 /nfs/dbraw/zinc/23/79/35/1040237935.db2.gz WQIAKTOISMYESX-PQXMYOPJSA-N -1 0 345.483 3.599 20 0 EHADRM COCCC(C)(C)CN=c1[n-]nc(Cc2ccc(Cl)cc2)s1 ZINC000489927716 1040240694 /nfs/dbraw/zinc/24/06/94/1040240694.db2.gz SWMOQELYQWENPN-UHFFFAOYSA-N -1 0 339.892 3.679 20 0 EHADRM CN(C(=O)C1(c2cccc(F)c2)CCC1)c1cccc(CC(=O)[O-])c1 ZINC000908079235 1040289561 /nfs/dbraw/zinc/28/95/61/1040289561.db2.gz VFTUZGKYMDFMDX-UHFFFAOYSA-N -1 0 341.382 3.538 20 0 EHADRM CN(C(=O)CCCc1c(F)cccc1F)c1cccc(CC(=O)[O-])c1 ZINC000908078582 1040290161 /nfs/dbraw/zinc/29/01/61/1040290161.db2.gz DJKNSMJKCSDQKU-UHFFFAOYSA-N -1 0 347.361 3.578 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1cccc(C2CC2)c1 ZINC001625897427 1040301745 /nfs/dbraw/zinc/30/17/45/1040301745.db2.gz ZECLSYABWAGZCD-UHFFFAOYSA-N -1 0 334.379 3.615 20 0 EHADRM Cc1coc2ccc(NC(=O)N3CCCC[C@H]3CCC(=O)[O-])cc12 ZINC000899312658 1040313948 /nfs/dbraw/zinc/31/39/48/1040313948.db2.gz ZYFQOBOTRHKHSY-AWEZNQCLSA-N -1 0 330.384 3.992 20 0 EHADRM O=C([O-])C1(CNC(=O)c2cc(Cl)cc(Cl)c2)CCCCC1 ZINC000165639185 1040325992 /nfs/dbraw/zinc/32/59/92/1040325992.db2.gz QJKMLLHZEOIJDR-UHFFFAOYSA-N -1 0 330.211 3.758 20 0 EHADRM O=S(=O)([N-]c1cc(F)cc(Cl)c1O)c1ccc(Cl)s1 ZINC000167728103 1040337582 /nfs/dbraw/zinc/33/75/82/1040337582.db2.gz RPIWINDGAPAFDM-UHFFFAOYSA-N -1 0 342.200 3.700 20 0 EHADRM O=c1c(C(F)(F)F)c(C2CC2)[n-]n1-c1ccc(Br)cc1 ZINC000899347473 1040354166 /nfs/dbraw/zinc/35/41/66/1040354166.db2.gz VWTTWFVHBFBNPZ-JTQLQIEISA-N -1 0 347.134 3.740 20 0 EHADRM O=c1cc(C2CCOCC2)[n-]n1Cc1ccc(Cl)cc1Cl ZINC000899347978 1040365597 /nfs/dbraw/zinc/36/55/97/1040365597.db2.gz LZPRFCXXSWZRJM-UHFFFAOYSA-N -1 0 327.211 3.508 20 0 EHADRM CC(C)(C)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1O ZINC000479567625 1040390773 /nfs/dbraw/zinc/39/07/73/1040390773.db2.gz GCRGBYPXROGGTI-UHFFFAOYSA-N -1 0 341.379 3.769 20 0 EHADRM Cc1ccnc2ccc(C(=O)NCCCCC3(C(=O)[O-])CCC3)cc12 ZINC000908332994 1040396513 /nfs/dbraw/zinc/39/65/13/1040396513.db2.gz GJGUDSYSRKEEMU-UHFFFAOYSA-N -1 0 340.423 3.698 20 0 EHADRM C[C@H](C(=O)NCCCCC1(C(=O)[O-])CCC1)c1cccc(Cl)c1 ZINC000908340439 1040401379 /nfs/dbraw/zinc/40/13/79/1040401379.db2.gz XUAYEQUVJSMVTL-ZDUSSCGKSA-N -1 0 337.847 3.985 20 0 EHADRM C[C@@H](CC(=O)NCCCCC1(C(=O)[O-])CCC1)c1ccc(F)cc1 ZINC000908340220 1040402173 /nfs/dbraw/zinc/40/21/73/1040402173.db2.gz CENYQXWHRDKOJZ-AWEZNQCLSA-N -1 0 335.419 3.861 20 0 EHADRM CCCc1cc(=O)[nH]c(C(=Cc2cc(C(=O)[O-])ccc2OC)CC)n1 ZINC000899372781 1040409474 /nfs/dbraw/zinc/40/94/74/1040409474.db2.gz PGFAAWJMUYLFBU-FMIVXFBMSA-N -1 0 342.395 3.792 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1C[C@@H]2CSC[C@@H]2C1 ZINC000899382196 1040411411 /nfs/dbraw/zinc/41/14/11/1040411411.db2.gz HEUGNBVDYKKTTH-PHIMTYICSA-N -1 0 333.840 3.634 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2C[C@@H](c3ccc(C)cc3)C[C@H]2C)s1 ZINC000486792869 1040453684 /nfs/dbraw/zinc/45/36/84/1040453684.db2.gz VEEHTXQUDYBBCZ-HIFRSBDPSA-N -1 0 344.484 3.631 20 0 EHADRM C/C=C(\CC)C(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000908420336 1040460350 /nfs/dbraw/zinc/46/03/50/1040460350.db2.gz UIHOSOFWCYRDAT-NUQDLXRASA-N -1 0 329.318 3.694 20 0 EHADRM CCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000155443699 1040469297 /nfs/dbraw/zinc/46/92/97/1040469297.db2.gz GBIRCSHCQSKSFB-VIFPVBQESA-N -1 0 338.256 3.625 20 0 EHADRM CCc1ccc(CCC(=O)Nc2cccc(C(=O)[O-])c2OC)cc1 ZINC000908506948 1040497510 /nfs/dbraw/zinc/49/75/10/1040497510.db2.gz IYWSTNABLHRXGA-UHFFFAOYSA-N -1 0 327.380 3.527 20 0 EHADRM O=C(C[C@H](O)Cc1ccccc1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000486897380 1040530600 /nfs/dbraw/zinc/53/06/00/1040530600.db2.gz NOEYDBNAQFMGAH-GFCCVEGCSA-N -1 0 340.206 3.631 20 0 EHADRM CC[C@H](C)c1cccc(NC(=O)N(C)[C@H](COC(C)C)C(=O)[O-])c1 ZINC000908628087 1040537274 /nfs/dbraw/zinc/53/72/74/1040537274.db2.gz MPBIWMQLICGCKS-XJKSGUPXSA-N -1 0 336.432 3.542 20 0 EHADRM CCCn1ccc2ccc(NC(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])cc21 ZINC000908624363 1040537889 /nfs/dbraw/zinc/53/78/89/1040537889.db2.gz WOPVIEUINIGNNP-LXZKKBNFSA-N -1 0 341.411 3.521 20 0 EHADRM CC(C)=CC[C@@H](NC(=O)Nc1cccc(COC(C)C)c1)C(=O)[O-] ZINC000908620659 1040547939 /nfs/dbraw/zinc/54/79/39/1040547939.db2.gz ZCXHYXAEPRSCFL-MRXNPFEDSA-N -1 0 334.416 3.543 20 0 EHADRM CCC[C@@]1(C(=O)[O-])CCCN1C(=O)Nc1cccc(-c2ncco2)c1 ZINC000908621026 1040549130 /nfs/dbraw/zinc/54/91/30/1040549130.db2.gz HWEATFFIBDXACS-SFHVURJKSA-N -1 0 343.383 3.593 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(C(=O)CCCc1ccc(C3CC3)cc1)CC2 ZINC000908661794 1040564491 /nfs/dbraw/zinc/56/44/91/1040564491.db2.gz VRMTXUZELOKTHA-SFHVURJKSA-N -1 0 341.451 3.600 20 0 EHADRM CC(C)(C)OC1CC(CC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000908683125 1040573029 /nfs/dbraw/zinc/57/30/29/1040573029.db2.gz JCMNUFVAQMKCFA-UHFFFAOYSA-N -1 0 339.819 3.961 20 0 EHADRM C[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)Nc1cc(C2CC2)ccn1 ZINC000908672637 1040584272 /nfs/dbraw/zinc/58/42/72/1040584272.db2.gz ATLMALVCORZBTL-ZDUSSCGKSA-N -1 0 339.395 3.639 20 0 EHADRM O=C([O-])C12CCC(C(=O)Nc3cccc(OC(F)(F)F)c3)(CC1)C2 ZINC000908708758 1040605811 /nfs/dbraw/zinc/60/58/11/1040605811.db2.gz CXEKMGWXVCUFKS-UHFFFAOYSA-N -1 0 343.301 3.559 20 0 EHADRM Cc1ccc(CN(Cc2ccco2)C(=O)[C@@H](C(=O)[O-])C(C)C)s1 ZINC000908762142 1040638409 /nfs/dbraw/zinc/63/84/09/1040638409.db2.gz DUWIKIVGMAFQAW-HNNXBMFYSA-N -1 0 335.425 3.535 20 0 EHADRM CC(C)(C)OC1CC(CC(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)C1 ZINC000908941412 1040715763 /nfs/dbraw/zinc/71/57/63/1040715763.db2.gz BXMVDQDKBSMLOB-PREGVCBESA-N -1 0 347.455 3.693 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1ccc(Cl)c(F)c1 ZINC000555538233 1040781526 /nfs/dbraw/zinc/78/15/26/1040781526.db2.gz PTFJBVSZMADISV-UHFFFAOYSA-N -1 0 346.749 3.531 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1sc2cccc(F)c2c1Cl)C1CC1 ZINC000909079592 1040808838 /nfs/dbraw/zinc/80/88/38/1040808838.db2.gz NZSMKJXBHFHTTO-SECBINFHSA-N -1 0 341.791 3.677 20 0 EHADRM CCCCn1cc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c(C)n1 ZINC000909110593 1040827193 /nfs/dbraw/zinc/82/71/93/1040827193.db2.gz OWLUVUGVXYFCPK-UHFFFAOYSA-N -1 0 335.791 3.596 20 0 EHADRM CC1(C)CO[C@@H](CCC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000909112726 1040827592 /nfs/dbraw/zinc/82/75/92/1040827592.db2.gz KBLPQSQHNIJDBD-NSHDSACASA-N -1 0 325.792 3.572 20 0 EHADRM CC(C)Sc1c(Cl)cccc1NC(=O)c1cc(=O)n(C)[n-]1 ZINC000669113322 1040862332 /nfs/dbraw/zinc/86/23/32/1040862332.db2.gz MMYOPLUCBDYEFC-UHFFFAOYSA-N -1 0 325.821 3.532 20 0 EHADRM CC(C)(CCc1ccccc1)NC(=O)c1cnc2ccccc2c1O ZINC000555587673 1040870339 /nfs/dbraw/zinc/87/03/39/1040870339.db2.gz GRWBKGSMGDSQPT-UHFFFAOYSA-N -1 0 334.419 3.669 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)C[C@@H]2C[C@H]2C2CC2)c1 ZINC000909226783 1040883532 /nfs/dbraw/zinc/88/35/32/1040883532.db2.gz JONNBKCDCDJNTH-HOCLYGCPSA-N -1 0 333.453 3.769 20 0 EHADRM Cc1nc(CC2CC2)sc1C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000909293733 1040910630 /nfs/dbraw/zinc/91/06/30/1040910630.db2.gz DLBZJJOQINMFMD-UHFFFAOYSA-N -1 0 330.409 3.663 20 0 EHADRM CC(C)(C)c1coc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)n1 ZINC000555633209 1040934065 /nfs/dbraw/zinc/93/40/65/1040934065.db2.gz NEYFKVYTQYANIS-UHFFFAOYSA-N -1 0 346.811 3.707 20 0 EHADRM COc1cccc(C2(C(=O)Nc3cccc([C@@H](C)C(=O)[O-])c3)CC2)c1 ZINC000909835943 1041033755 /nfs/dbraw/zinc/03/37/55/1041033755.db2.gz XLDKCRAKGWEYRL-CYBMUJFWSA-N -1 0 339.391 3.554 20 0 EHADRM CC(C)(CC(=O)N1CCc2cccc(C(=O)[O-])c2C1)CC(F)(F)F ZINC000909865549 1041039193 /nfs/dbraw/zinc/03/91/93/1041039193.db2.gz OOKVEMFMJVSWGJ-UHFFFAOYSA-N -1 0 343.345 3.638 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000899763612 1041089874 /nfs/dbraw/zinc/08/98/74/1041089874.db2.gz FQGSKTBHUJBSKI-DGCLKSJQSA-N -1 0 343.370 3.602 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1cccc(COCC2CC2)c1 ZINC000899766338 1041095203 /nfs/dbraw/zinc/09/52/03/1041095203.db2.gz KTNJYFSXWWYGRY-INIZCTEOSA-N -1 0 333.428 3.689 20 0 EHADRM CCCOc1cc(C)ccc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-] ZINC000899767652 1041097965 /nfs/dbraw/zinc/09/79/65/1041097965.db2.gz ZEVCAODFWNAVOF-BAGFXWCHSA-N -1 0 343.423 3.635 20 0 EHADRM CCSCc1cccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C(=O)[O-])c1 ZINC000899770819 1041107856 /nfs/dbraw/zinc/10/78/56/1041107856.db2.gz PCUXAWZOZCFSTC-DFHZNHDVSA-N -1 0 345.464 3.791 20 0 EHADRM CC(C)c1ccc(S(=O)(=O)[N-]c2cnc(C(C)(C)C)nc2)cc1 ZINC000512859977 1041124062 /nfs/dbraw/zinc/12/40/62/1041124062.db2.gz FDKACNKRPPTCQS-UHFFFAOYSA-N -1 0 333.457 3.698 20 0 EHADRM COCc1cc(Cl)ccc1NC(=O)[C@@H](CC(=O)[O-])CC(C)C ZINC000899787618 1041126168 /nfs/dbraw/zinc/12/61/68/1041126168.db2.gz AGMARDCVWQNMSJ-LLVKDONJSA-N -1 0 327.808 3.562 20 0 EHADRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@H]1CCC[C@]1(C)C(=O)[O-] ZINC000909994565 1041133300 /nfs/dbraw/zinc/13/33/00/1041133300.db2.gz XKDLBPXTVCOIKC-GUYCJALGSA-N -1 0 334.803 3.503 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1ccc(F)cc1OC(F)F ZINC000899811537 1041155729 /nfs/dbraw/zinc/15/57/29/1041155729.db2.gz LDNJQHXXFUPDCH-SECBINFHSA-N -1 0 333.306 3.503 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000899812625 1041159730 /nfs/dbraw/zinc/15/97/30/1041159730.db2.gz BWEDRPSGFJCTFB-ZBFHGGJFSA-N -1 0 345.439 3.686 20 0 EHADRM COc1ccc(C2CCN(C(=O)[C@@H](CC(=O)[O-])CC(C)C)CC2)cc1 ZINC000899820663 1041178841 /nfs/dbraw/zinc/17/88/41/1041178841.db2.gz VSLZDGKIXQNQMI-QGZVFWFLSA-N -1 0 347.455 3.538 20 0 EHADRM Cc1cc(F)ccc1[C@H](C)NC(=O)[C@@](C)(CC(=O)[O-])c1ccsc1 ZINC000899836713 1041181716 /nfs/dbraw/zinc/18/17/16/1041181716.db2.gz OMSUZSVPYWKCQP-SGTLLEGYSA-N -1 0 349.427 3.805 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CCCCCC3)o1 ZINC000408098487 1041186360 /nfs/dbraw/zinc/18/63/60/1041186360.db2.gz QUVATNAKEXLICB-UHFFFAOYSA-N -1 0 326.443 3.504 20 0 EHADRM Cc1ccc(CCC(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)s1 ZINC000910097811 1041190507 /nfs/dbraw/zinc/19/05/07/1041190507.db2.gz AXHNJQQMPJDPFP-IRXDYDNUSA-N -1 0 343.448 3.806 20 0 EHADRM O=C([O-])c1csc([C@H]2CCCN2C(=O)[C@@H]2CCC=CCCC2)n1 ZINC000910103899 1041192322 /nfs/dbraw/zinc/19/23/22/1041192322.db2.gz PFFXOFCQSYLJBE-TZMCWYRMSA-N -1 0 334.441 3.641 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC[C@H]2c2nc(C(=O)[O-])cs2)C1(C)C ZINC000910111943 1041195482 /nfs/dbraw/zinc/19/54/82/1041195482.db2.gz IAQRUIFNINNIKH-XBFCOCLRSA-N -1 0 348.468 3.743 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)Nc1cccc(-c2ncco2)c1)C(=O)[O-] ZINC000555851196 1041226136 /nfs/dbraw/zinc/22/61/36/1041226136.db2.gz MPAZKCPSBYPWSH-AWEZNQCLSA-N -1 0 345.399 3.743 20 0 EHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000194216090 1041235674 /nfs/dbraw/zinc/23/56/74/1041235674.db2.gz PFSDFPFQSFRAOA-UHFFFAOYSA-N -1 0 331.846 3.828 20 0 EHADRM O=C([O-])Cc1c[nH]c2ccc(-c3ccc(O[C@@H]4CCOC4)cc3)cc12 ZINC000571226657 1041239318 /nfs/dbraw/zinc/23/93/18/1041239318.db2.gz SXUNOBLZISJAIS-QGZVFWFLSA-N -1 0 337.375 3.630 20 0 EHADRM COc1cc([C@H](C)NC(=O)[C@H]2CCC[C@@H]2C(=O)[O-])cc2ccccc21 ZINC000899857325 1041239666 /nfs/dbraw/zinc/23/96/66/1041239666.db2.gz XJTWOLHNXNWLSP-ZLIFDBKOSA-N -1 0 341.407 3.527 20 0 EHADRM C/C=C\C[C@H](NC(=O)Nc1cccc(-c2nc(C)cs2)c1)C(=O)[O-] ZINC000555851601 1041242289 /nfs/dbraw/zinc/24/22/89/1041242289.db2.gz IFQLTKFIVIFXNM-NQHOJNORSA-N -1 0 345.424 3.659 20 0 EHADRM O=C(Oc1ccc(N2CCCC2=O)cc1)c1cc(F)c([O-])c(Cl)c1 ZINC000194375031 1041263429 /nfs/dbraw/zinc/26/34/29/1041263429.db2.gz HPKWGBYAKOMNCI-UHFFFAOYSA-N -1 0 349.745 3.531 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@@H](C)c2ccc(C(F)(F)F)cc2)s[n-]1 ZINC000509729069 1041323845 /nfs/dbraw/zinc/32/38/45/1041323845.db2.gz OLOKXQAOTWFWGS-IUCAKERBSA-N -1 0 331.363 3.859 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N(CC1CC1)C1CCCCC1 ZINC000509857540 1041331792 /nfs/dbraw/zinc/33/17/92/1041331792.db2.gz AONOAKCVWYDMSP-UHFFFAOYSA-N -1 0 327.346 3.994 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c(C)n1C1CC1 ZINC000432001695 1041462459 /nfs/dbraw/zinc/46/24/59/1041462459.db2.gz RRULGUKLBXARDW-GFCCVEGCSA-N -1 0 340.423 3.955 20 0 EHADRM CC1(C)Cc2cc([N-]S(=O)(=O)c3ccccc3Cl)ccc2O1 ZINC000468804242 1041593165 /nfs/dbraw/zinc/59/31/65/1041593165.db2.gz CUMSUFJAMGMTQZ-UHFFFAOYSA-N -1 0 337.828 3.854 20 0 EHADRM C[C@H](C(=O)NC[C@H](CC1CC1)C(=O)[O-])c1c(Cl)cccc1Cl ZINC000652099382 1041604374 /nfs/dbraw/zinc/60/43/74/1041604374.db2.gz ZOURMHUXEKJWKU-ONGXEEELSA-N -1 0 344.238 3.714 20 0 EHADRM CCCCOc1ccc(CN=c2[n-]nc(C(F)F)o2)cc1Cl ZINC000432160763 1041669685 /nfs/dbraw/zinc/66/96/85/1041669685.db2.gz BJEYDKPLXLFUMB-UHFFFAOYSA-N -1 0 331.750 3.874 20 0 EHADRM FC(F)c1n[n-]c(=NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)o1 ZINC000432174007 1041688700 /nfs/dbraw/zinc/68/87/00/1041688700.db2.gz DOKOPGMLJOPPOL-GFCCVEGCSA-N -1 0 343.761 3.662 20 0 EHADRM CCCCCc1ccc([N-]S(=O)(=O)c2ncn(C)c2Cl)cc1 ZINC000026534482 1041719117 /nfs/dbraw/zinc/71/91/17/1041719117.db2.gz LOEKCZIWAIIWEC-UHFFFAOYSA-N -1 0 341.864 3.607 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000044830942 1041993465 /nfs/dbraw/zinc/99/34/65/1041993465.db2.gz NLTUWYPSGCLKRL-DLBZAZTESA-N -1 0 329.396 3.614 20 0 EHADRM C[C@H](C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccc(Cl)cc1 ZINC000653326854 1042047226 /nfs/dbraw/zinc/04/72/26/1042047226.db2.gz MCKLRPDZFNAWLP-GOPGUHFVSA-N -1 0 343.810 3.873 20 0 EHADRM CCCCCC[C@](C)(NC(=O)Cc1cn(C)c2ccccc12)C(=O)[O-] ZINC000236723090 1042087084 /nfs/dbraw/zinc/08/70/84/1042087084.db2.gz DTUFTIPDJNKHIY-FQEVSTJZSA-N -1 0 344.455 3.651 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(c2ncc(Br)cc2Cl)C1 ZINC000662887156 1042191519 /nfs/dbraw/zinc/19/15/19/1042191519.db2.gz DRSQPFLUKKIAPN-VIFPVBQESA-N -1 0 347.640 3.579 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1c1nccc2cc(Br)ccc21 ZINC000662892338 1042200758 /nfs/dbraw/zinc/20/07/58/1042200758.db2.gz AHWOLFIDKBMBGM-JQWIXIFHSA-N -1 0 349.228 3.687 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000653328042 1042380181 /nfs/dbraw/zinc/38/01/81/1042380181.db2.gz CPIIPUYMIMZNHK-JVPBZIDWSA-N -1 0 337.419 3.603 20 0 EHADRM CCc1ccc(-c2csc(NC(=O)C3(C(=O)[O-])CC=CC3)n2)s1 ZINC000663089657 1042437739 /nfs/dbraw/zinc/43/77/39/1042437739.db2.gz CMQAREKGCDIZHR-UHFFFAOYSA-N -1 0 348.449 3.794 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)C2CC3(C2)CCCCC3)c2ccccc21 ZINC000663121459 1042470584 /nfs/dbraw/zinc/47/05/84/1042470584.db2.gz YZZIHFWOKXMADZ-IRXDYDNUSA-N -1 0 327.424 3.776 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@H]1CCSc2ccccc21)CC(=O)[O-] ZINC000663139316 1042488269 /nfs/dbraw/zinc/48/82/69/1042488269.db2.gz ZOGBZSWDCINJIL-ZFWWWQNUSA-N -1 0 335.469 3.519 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)CCc2ccccc2Cl)n1 ZINC000659186937 1042490093 /nfs/dbraw/zinc/49/00/93/1042490093.db2.gz CJOYQUFRPWXCDN-AWEZNQCLSA-N -1 0 349.818 3.534 20 0 EHADRM C[C@H](CC(=O)NC[C@@H](C(=O)[O-])C1CCC1)Cc1ccc(Cl)cc1 ZINC000663154006 1042497008 /nfs/dbraw/zinc/49/70/08/1042497008.db2.gz VGOMEEANRSMQCR-BLLLJJGKSA-N -1 0 337.847 3.526 20 0 EHADRM CCc1ccc(-c2noc(CN(CC(=O)[O-])C3CCCCC3)n2)cc1 ZINC000652482742 1042499664 /nfs/dbraw/zinc/49/96/64/1042499664.db2.gz SNMQNKNMCAERFU-UHFFFAOYSA-N -1 0 343.427 3.518 20 0 EHADRM Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)cc(C)c1F ZINC000659189517 1042545205 /nfs/dbraw/zinc/54/52/05/1042545205.db2.gz GPBANBOVRQDWJN-JYJNAYRXSA-N -1 0 333.403 3.548 20 0 EHADRM CO[C@@H](C)c1nc(=NCc2ccc(OC3CCCCC3)cc2)s[n-]1 ZINC000509730331 1042642663 /nfs/dbraw/zinc/64/26/63/1042642663.db2.gz SBECCQTYEYXXBE-ZDUSSCGKSA-N -1 0 347.484 3.991 20 0 EHADRM Cc1cc(C)n(-c2ccc(CNc3cnc(C(=O)[O-])c(C)c3)cc2)n1 ZINC001167795134 1042645132 /nfs/dbraw/zinc/64/51/32/1042645132.db2.gz YMUTVGGKLZQIRK-UHFFFAOYSA-N -1 0 336.395 3.503 20 0 EHADRM Cc1csc(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c1Cl ZINC000653329286 1042675597 /nfs/dbraw/zinc/67/55/97/1042675597.db2.gz UGGPZUDGXSZGKB-NWDGAFQWSA-N -1 0 335.812 3.753 20 0 EHADRM CSCc1ccc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000321964127 1042681417 /nfs/dbraw/zinc/68/14/17/1042681417.db2.gz AKKVNETYYGERHA-HNNXBMFYSA-N -1 0 335.469 3.513 20 0 EHADRM CCCc1cnc([N-]S(=O)(=O)c2ccccc2SC)s1 ZINC000187029966 1042746295 /nfs/dbraw/zinc/74/62/95/1042746295.db2.gz BEMXBROHSCLWRP-UHFFFAOYSA-N -1 0 328.484 3.618 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)Nc1cc(Cl)c(Cl)cc1F)C1CCC1 ZINC000663354829 1042746851 /nfs/dbraw/zinc/74/68/51/1042746851.db2.gz ZMMSOOVRKZOJEJ-QMMMGPOBSA-N -1 0 349.189 3.755 20 0 EHADRM N#CC(C(=O)c1ccsc1)=C([O-])c1sccc1Br ZINC000125812291 1042760169 /nfs/dbraw/zinc/76/01/69/1042760169.db2.gz VBANCMITSOJCIO-MRVPVSSYSA-N -1 0 340.223 3.777 20 0 EHADRM CSC[C@@H](C)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000067001205 1042774944 /nfs/dbraw/zinc/77/49/44/1042774944.db2.gz HROKQUFLRJKNRJ-SSDOTTSWSA-N -1 0 342.269 3.638 20 0 EHADRM CCC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000159340244 1042844155 /nfs/dbraw/zinc/84/41/55/1042844155.db2.gz ZNLWWKJHBGTOHM-UHFFFAOYSA-N -1 0 346.452 3.862 20 0 EHADRM COc1ccccc1Oc1ccc(CN=c2[n-]nc(C(F)F)o2)cc1 ZINC000432337502 1042970373 /nfs/dbraw/zinc/97/03/73/1042970373.db2.gz RFVWSBGNHCYDIB-UHFFFAOYSA-N -1 0 347.321 3.842 20 0 EHADRM Cc1ccccc1SCC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653332309 1042978748 /nfs/dbraw/zinc/97/87/48/1042978748.db2.gz ASVQXQVRINZVBI-HZPDHXFCSA-N -1 0 341.432 3.517 20 0 EHADRM O=S(=O)([N-]c1cnccc1-c1ccccc1)c1cccc(F)c1 ZINC000432352182 1042989200 /nfs/dbraw/zinc/98/92/00/1042989200.db2.gz WFYBVTVMJPIPHJ-UHFFFAOYSA-N -1 0 328.368 3.689 20 0 EHADRM N=c1[n-]nc(SCCc2cccc(Cl)c2Cl)n1C1CC1 ZINC000432495327 1043521038 /nfs/dbraw/zinc/52/10/38/1043521038.db2.gz QPJKHZSAJUXLSL-UHFFFAOYSA-N -1 0 329.256 3.667 20 0 EHADRM Cc1ccc(Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)cc1O ZINC001211701643 1043525399 /nfs/dbraw/zinc/52/53/99/1043525399.db2.gz JHCDBLOYALHUAH-UHFFFAOYSA-N -1 0 329.377 3.844 20 0 EHADRM CC(C)CCC(=O)C(C#N)=C([O-])c1sccc1Br ZINC000126028321 1043831550 /nfs/dbraw/zinc/83/15/50/1043831550.db2.gz PUQIABQOWJRNBO-VIFPVBQESA-N -1 0 328.231 3.838 20 0 EHADRM C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)N=c1[n-]nc(C(F)F)s1 ZINC000348923507 1044115575 /nfs/dbraw/zinc/11/55/75/1044115575.db2.gz WWRRCZLTUJCKQQ-IUCAKERBSA-N -1 0 332.420 3.576 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2cnc3ccccc3c2)cc1C ZINC000337870909 1044506814 /nfs/dbraw/zinc/50/68/14/1044506814.db2.gz RBTCJQALSVUTKY-UHFFFAOYSA-N -1 0 340.404 3.547 20 0 EHADRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cccc(SC)c2)c1C ZINC000337880493 1044524999 /nfs/dbraw/zinc/52/49/99/1044524999.db2.gz XTMMSDKQAKFKIQ-LLVKDONJSA-N -1 0 339.486 3.685 20 0 EHADRM CCCC[C@@H](NC(=O)c1sc(-c2cccs2)nc1C)C(=O)[O-] ZINC000236856365 1044761931 /nfs/dbraw/zinc/76/19/31/1044761931.db2.gz AXBZDUUVEOBDBV-SNVBAGLBSA-N -1 0 338.454 3.553 20 0 EHADRM CC[C@@H]1CCC[C@H](C)N1C(=O)c1cccc(Br)c1[O-] ZINC000620576945 1125599356 /nfs/dbraw/zinc/59/93/56/1125599356.db2.gz KDEOWMZGEZMBRP-WDEREUQCSA-N -1 0 326.234 3.948 20 0 EHADRM Cc1occc1-c1nnc([N-]S(=O)(=O)c2cccc(C(C)C)c2)o1 ZINC000153815682 1125664280 /nfs/dbraw/zinc/66/42/80/1125664280.db2.gz QVNGOPIRWWEEJY-UHFFFAOYSA-N -1 0 347.396 3.562 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)CCC3CC3)n2)c1 ZINC000154000373 1125683234 /nfs/dbraw/zinc/68/32/34/1125683234.db2.gz CKJLXMYJUSIBED-UHFFFAOYSA-N -1 0 327.428 3.573 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1cccc(-n2cccn2)n1 ZINC000154684406 1125745285 /nfs/dbraw/zinc/74/52/85/1125745285.db2.gz FOQWJSKMBIZPLH-UHFFFAOYSA-N -1 0 349.177 3.532 20 0 EHADRM CCc1nc(C)c(NC(=O)c2cccc(C(F)(F)F)c2[O-])s1 ZINC000622524513 1126710774 /nfs/dbraw/zinc/71/07/74/1126710774.db2.gz YPEOAQBTFITROV-UHFFFAOYSA-N -1 0 330.331 3.991 20 0 EHADRM CCCC[C@H](NC(=O)c1occc1CSc1ccccc1)C(=O)[O-] ZINC000184974320 1126730164 /nfs/dbraw/zinc/73/01/64/1126730164.db2.gz QPZUKBOHIIQYHV-HNNXBMFYSA-N -1 0 347.436 3.945 20 0 EHADRM O=C(NCc1cccc(C(F)(F)F)n1)c1cc(F)c([O-])c(Cl)c1 ZINC000622632595 1126734191 /nfs/dbraw/zinc/73/41/91/1126734191.db2.gz AVKGNEPBIZYQIO-UHFFFAOYSA-N -1 0 348.683 3.529 20 0 EHADRM O=C([O-])c1cccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)n1 ZINC000336671795 1126801410 /nfs/dbraw/zinc/80/14/10/1126801410.db2.gz IKQTUFVBHXZEDU-UHFFFAOYSA-N -1 0 346.386 3.622 20 0 EHADRM CCCc1ccc([C@H](NC(=O)N=c2[n-]nc(C)s2)C(C)C)cc1 ZINC000642421066 1127081929 /nfs/dbraw/zinc/08/19/29/1127081929.db2.gz XOYNKYZZYBPKRK-OAHLLOKOSA-N -1 0 332.473 3.740 20 0 EHADRM CC(C)CCn1cc(C(=O)Nc2c(F)cc(Cl)cc2F)nn1 ZINC000180351708 1127146396 /nfs/dbraw/zinc/14/63/96/1127146396.db2.gz FDYCSRQUIOLOBF-UHFFFAOYSA-N -1 0 328.750 3.508 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000901721255 1127161945 /nfs/dbraw/zinc/16/19/45/1127161945.db2.gz YNEFKDWTXGQVJG-KRWDZBQOSA-N -1 0 345.345 3.569 20 0 EHADRM Cc1ccccc1-c1nsc(Sc2n[n-]c(=NC3CC3)s2)n1 ZINC000623809731 1127186552 /nfs/dbraw/zinc/18/65/52/1127186552.db2.gz RILHJTKWRHWODW-UHFFFAOYSA-N -1 0 347.494 3.512 20 0 EHADRM COc1cc(C(=O)[N-]c2cccc(Cl)c2SCC(F)F)on1 ZINC000182869864 1127351790 /nfs/dbraw/zinc/35/17/90/1127351790.db2.gz UHZHERQINFZNQB-UHFFFAOYSA-N -1 0 348.758 3.946 20 0 EHADRM CC(C)(C)C[C@H]([N-]S(=O)(=O)Cc1cccc(F)c1)C(F)(F)F ZINC000183303404 1127371727 /nfs/dbraw/zinc/37/17/27/1127371727.db2.gz UICMJGPDNPVMCD-LBPRGKRZSA-N -1 0 341.370 3.612 20 0 EHADRM Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000183346691 1127373463 /nfs/dbraw/zinc/37/34/63/1127373463.db2.gz XHGKBSDASUGFCB-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM C[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1cccc(F)c1F ZINC000183614744 1127382215 /nfs/dbraw/zinc/38/22/15/1127382215.db2.gz ZOGIZSHAJYFXGB-ZCFIWIBFSA-N -1 0 331.240 3.579 20 0 EHADRM CCSc1ccc([C@H](C)[N-]S(=O)(=O)[C@H](C)C(F)(F)F)cc1 ZINC000184416305 1127404371 /nfs/dbraw/zinc/40/43/71/1127404371.db2.gz UFNLMNITBXRNAH-VHSXEESVSA-N -1 0 341.420 3.730 20 0 EHADRM CC(C)[C@@H]([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)c1ccc(F)cc1F ZINC000184676031 1127411191 /nfs/dbraw/zinc/41/11/91/1127411191.db2.gz DUJCYVONYGLLDE-QPUJVOFHSA-N -1 0 345.333 3.532 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cn2)c1 ZINC000194161471 1127453436 /nfs/dbraw/zinc/45/34/36/1127453436.db2.gz FOTWUDAYKZMBAP-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM CC[C@@H](C(=O)[N-]S(=O)(=O)/C=C\c1ccccc1)C1CCC(C)CC1 ZINC000764754016 1127528651 /nfs/dbraw/zinc/52/86/51/1127528651.db2.gz MHAVYMYNBPZHDE-RDYBWJJFSA-N -1 0 349.496 3.956 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)cnc1Cl ZINC000735267510 1127558870 /nfs/dbraw/zinc/55/88/70/1127558870.db2.gz TUTOOHRWOBUAMJ-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)Nc1cccc(C(F)F)c1 ZINC000386190975 1127641632 /nfs/dbraw/zinc/64/16/32/1127641632.db2.gz BTEXBXUMDQBFIN-OAHLLOKOSA-N -1 0 346.333 3.668 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Nc2ccccc2Br)cc1 ZINC000040550421 1127685241 /nfs/dbraw/zinc/68/52/41/1127685241.db2.gz JJRAHJWKEATDID-UHFFFAOYSA-N -1 0 335.157 3.791 20 0 EHADRM O=C([N-]c1nnc(C(F)(F)F)s1)c1cc(-c2cccs2)on1 ZINC000029284533 1127798280 /nfs/dbraw/zinc/79/82/80/1127798280.db2.gz FFNLWNHDODXAAG-UHFFFAOYSA-N -1 0 346.315 3.526 20 0 EHADRM O=S(=O)([N-]c1ccccc1Cl)c1ccc(C(F)(F)F)cn1 ZINC000351662906 1127981017 /nfs/dbraw/zinc/98/10/17/1127981017.db2.gz VMAWIBUIMBSVJE-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM Cc1cc2occ(CC(=O)N[C@H](CC3CC3)C(=O)[O-])c2cc1C(C)C ZINC000347509168 1128021182 /nfs/dbraw/zinc/02/11/82/1128021182.db2.gz BNKQSFJUQFRMPL-QGZVFWFLSA-N -1 0 343.423 3.777 20 0 EHADRM O=C([N-]S(=O)(=O)CC1CC1)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000073537028 1128393156 /nfs/dbraw/zinc/39/31/56/1128393156.db2.gz LOSGNJZWDMBMCI-WDEREUQCSA-N -1 0 348.251 3.793 20 0 EHADRM CCOc1cc(-c2noc(-c3conc3CC)n2)cc(Cl)c1O ZINC000624574331 1128396415 /nfs/dbraw/zinc/39/64/15/1128396415.db2.gz HTYMBYONOMJCEY-UHFFFAOYSA-N -1 0 335.747 3.712 20 0 EHADRM C[C@@H](c1cc(Cl)ccc1Cl)N1CCSC[C@@H]1CC(=O)[O-] ZINC000091133755 1128456222 /nfs/dbraw/zinc/45/62/22/1128456222.db2.gz BHWVLQXYQXWOIA-ONGXEEELSA-N -1 0 334.268 3.947 20 0 EHADRM O=C(N=c1ncn(C2CCCCC2)[n-]1)N(CC1CC1)C1CCCCC1 ZINC000542723713 1128562748 /nfs/dbraw/zinc/56/27/48/1128562748.db2.gz YVXUHTLSYHAJEM-UHFFFAOYSA-N -1 0 345.491 3.782 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)COc2ccccc2C(C)C)c1 ZINC000542832781 1128673150 /nfs/dbraw/zinc/67/31/50/1128673150.db2.gz HIFIYCWVUQPMIS-UHFFFAOYSA-N -1 0 327.380 3.736 20 0 EHADRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(-c2ccccc2)cn1 ZINC000062545609 1128829374 /nfs/dbraw/zinc/82/93/74/1128829374.db2.gz GNSBIDZJETYKOD-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM COc1ccccc1[C@H]1CCCN1C(=O)c1c([O-])cc(F)cc1F ZINC000076019931 1128899085 /nfs/dbraw/zinc/89/90/85/1128899085.db2.gz BZLKDUPSZJUBID-CQSZACIVSA-N -1 0 333.334 3.656 20 0 EHADRM C[C@H](c1ccccc1)S(=O)(=O)c1nnc(-c2ccc(Cl)cc2)[n-]1 ZINC000195115467 1120226905 /nfs/dbraw/zinc/22/69/05/1120226905.db2.gz LTOMKTSUNIUCNV-LLVKDONJSA-N -1 0 347.827 3.660 20 0 EHADRM COc1cc(C)c([N-]S(=O)(=O)c2cccc(C)c2Cl)cc1F ZINC000187070621 1120485447 /nfs/dbraw/zinc/48/54/47/1120485447.db2.gz DVEGQEMRKXFXIQ-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM Cc1n[nH]c(C)c1CC(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000187208027 1120490312 /nfs/dbraw/zinc/49/03/12/1120490312.db2.gz MMUVRNCVFSQKRH-UHFFFAOYSA-N -1 0 348.617 3.874 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnc(Cl)cc2C)cc1Cl ZINC000152995272 1120525338 /nfs/dbraw/zinc/52/53/38/1120525338.db2.gz VGFUUQFIHHQKLQ-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM Cc1occc1S([O-])=CC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000189646813 1120603182 /nfs/dbraw/zinc/60/31/82/1120603182.db2.gz UVUXOOWDGIHUJM-RKNYENMMSA-N -1 0 341.432 3.726 20 0 EHADRM Cc1oc(CNC(=O)c2cc(Cl)sc2Cl)cc1C(=O)[O-] ZINC000223857730 1120657084 /nfs/dbraw/zinc/65/70/84/1120657084.db2.gz CHXFCYGSIDSRIK-UHFFFAOYSA-N -1 0 334.180 3.585 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(-c3ccccc3)nn2)c1 ZINC000191034514 1120659341 /nfs/dbraw/zinc/65/93/41/1120659341.db2.gz YJKRKWSQNLULMQ-UHFFFAOYSA-N -1 0 339.420 3.561 20 0 EHADRM CCCCCOc1ccc(S(=O)(=O)[N-]c2cnc(C)s2)cc1 ZINC000443464221 1120694520 /nfs/dbraw/zinc/69/45/20/1120694520.db2.gz VLDFPFQWLTXTCX-UHFFFAOYSA-N -1 0 340.470 3.821 20 0 EHADRM CO[C@@H](C)CS(=O)(=O)[N-]c1cc(Cl)ccc1SC(C)C ZINC000193326170 1120771173 /nfs/dbraw/zinc/77/11/73/1120771173.db2.gz HASDZAICRIHHPS-JTQLQIEISA-N -1 0 337.894 3.617 20 0 EHADRM CC(C)(C(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000542504664 1120834701 /nfs/dbraw/zinc/83/47/01/1120834701.db2.gz ZKIQVSZLACOOCW-UHFFFAOYSA-N -1 0 331.799 3.883 20 0 EHADRM C/C(=C/c1ccccc1Cl)C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000761743990 1120867213 /nfs/dbraw/zinc/86/72/13/1120867213.db2.gz VWANJTNXKGBDGK-KVNDZABWSA-N -1 0 343.810 3.728 20 0 EHADRM COc1cc(NC(=O)c2c([O-])cccc2F)ccc1Br ZINC000228858442 1120941255 /nfs/dbraw/zinc/94/12/55/1120941255.db2.gz WYPKYNDIHNKCAN-UHFFFAOYSA-N -1 0 340.148 3.555 20 0 EHADRM CCc1nc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)sc1C ZINC000229349747 1120959767 /nfs/dbraw/zinc/95/97/67/1120959767.db2.gz UJKUEHAJBHGFHH-UHFFFAOYSA-N -1 0 328.434 3.571 20 0 EHADRM Cc1cc(S(=O)(=O)Nc2cc(C)ccc2Cl)sc1C(=O)[O-] ZINC000230215571 1120999182 /nfs/dbraw/zinc/99/91/82/1120999182.db2.gz IHGMHECJKABAAB-UHFFFAOYSA-N -1 0 345.829 3.517 20 0 EHADRM O=C(Cc1coc(-c2ccccc2)n1)Nc1cccc(Cl)c1[O-] ZINC000077010657 1128974178 /nfs/dbraw/zinc/97/41/78/1128974178.db2.gz QFZDGOGODGXAQX-UHFFFAOYSA-N -1 0 328.755 3.882 20 0 EHADRM O=C(c1n[n-]c2ccccc2c1=O)N1CCCC[C@H]1c1ccccc1 ZINC000762728279 1121433823 /nfs/dbraw/zinc/43/38/23/1121433823.db2.gz GPNLVKJAJUDDRK-KRWDZBQOSA-N -1 0 333.391 3.703 20 0 EHADRM CCC(CC)(CNC(=O)CCSc1ccccc1Cl)C(=O)[O-] ZINC000236835432 1121466069 /nfs/dbraw/zinc/46/60/69/1121466069.db2.gz OQPXQBPTSHWOEK-UHFFFAOYSA-N -1 0 343.876 3.829 20 0 EHADRM CCCc1sc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1CC ZINC000236952576 1121469279 /nfs/dbraw/zinc/46/92/79/1121469279.db2.gz VGASHDNZWLEXBN-CYBMUJFWSA-N -1 0 337.485 3.980 20 0 EHADRM Cc1ccc(C)c(SCC(=O)N2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000237658462 1121490494 /nfs/dbraw/zinc/49/04/94/1121490494.db2.gz MZOBFAZGLJMGCK-HNNXBMFYSA-N -1 0 335.469 3.641 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cc(F)c(F)c(F)c2)CCCCCC1 ZINC000238069384 1121501260 /nfs/dbraw/zinc/50/12/60/1121501260.db2.gz JPMLJELNGKBPPJ-UHFFFAOYSA-N -1 0 329.318 3.858 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1ccc2ccccc2c1)Cc1ccccc1 ZINC000238197669 1121506780 /nfs/dbraw/zinc/50/67/80/1121506780.db2.gz ORVBLUGQIDDIFK-LJQANCHMSA-N -1 0 333.387 3.513 20 0 EHADRM Cc1sc(Cl)nc1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000762899450 1121513303 /nfs/dbraw/zinc/51/33/03/1121513303.db2.gz QWHGVVFKXVCDLT-UHFFFAOYSA-N -1 0 325.802 3.787 20 0 EHADRM O=C([O-])C1(CNC(=O)Cc2ccc(Cl)cc2Cl)CCCCC1 ZINC000317043060 1121619345 /nfs/dbraw/zinc/61/93/45/1121619345.db2.gz VRVANZDMZADXKT-UHFFFAOYSA-N -1 0 344.238 3.687 20 0 EHADRM O=c1nc(CN2CCCc3cc(Cl)ccc32)[n-]c2ccsc21 ZINC000026340351 1121653642 /nfs/dbraw/zinc/65/36/42/1121653642.db2.gz GPKMDIYGDHCXJG-UHFFFAOYSA-N -1 0 331.828 3.591 20 0 EHADRM O=S(=O)([N-]c1cccc(N2CCCC2)c1)c1ccc(Cl)s1 ZINC000041371822 1121702040 /nfs/dbraw/zinc/70/20/40/1121702040.db2.gz WVIWVKAOQBKRCN-UHFFFAOYSA-N -1 0 342.873 3.803 20 0 EHADRM O=S(=O)([N-]c1cccc2cccnc21)c1cccc(Cl)c1F ZINC000055574844 1121841428 /nfs/dbraw/zinc/84/14/28/1121841428.db2.gz YBWNFXBZQQXIOY-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccccc2OC(C)C)s1 ZINC000244094355 1121853902 /nfs/dbraw/zinc/85/39/02/1121853902.db2.gz UFPBJUJQAQNPEO-UHFFFAOYSA-N -1 0 325.455 3.899 20 0 EHADRM CC[C@@H](C)N(OC)C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000763233229 1121917274 /nfs/dbraw/zinc/91/72/74/1121917274.db2.gz OUNCKCQKOUTGMV-CYBMUJFWSA-N -1 0 331.416 3.503 20 0 EHADRM CC(C)c1ccc(NC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1 ZINC000326373108 1121928767 /nfs/dbraw/zinc/92/87/67/1121928767.db2.gz GJSHLIQNFAKDMY-GOSISDBHSA-N -1 0 338.407 3.853 20 0 EHADRM Cc1ccc(NC(=O)c2cccc(OC(F)(F)F)c2)cc1C(=O)[O-] ZINC000326566267 1121965928 /nfs/dbraw/zinc/96/59/28/1121965928.db2.gz XLVJIDCCECNBEQ-UHFFFAOYSA-N -1 0 339.269 3.844 20 0 EHADRM CCOc1ccc([C@H]([N-]C(=O)C(F)(F)F)C(C)C)cc1OCC ZINC000750602814 1121971642 /nfs/dbraw/zinc/97/16/42/1121971642.db2.gz VZLAVIMOGMREDG-CQSZACIVSA-N -1 0 333.350 3.860 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)cc1 ZINC000916186593 1122091281 /nfs/dbraw/zinc/09/12/81/1122091281.db2.gz SDMJVXLZPQSKLU-DLBZAZTESA-N -1 0 349.496 3.682 20 0 EHADRM COC[C@@H](C)CC(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000496897162 1122201477 /nfs/dbraw/zinc/20/14/77/1122201477.db2.gz LXMUXSAUNUFQJK-LURJTMIESA-N -1 0 326.607 3.964 20 0 EHADRM CC(C)(C)c1nc(CSc2nc(=O)cc([O-])n2C2CCCC2)co1 ZINC000916586090 1122209472 /nfs/dbraw/zinc/20/94/72/1122209472.db2.gz SPIIYQBYPBFGJD-UHFFFAOYSA-N -1 0 349.456 3.642 20 0 EHADRM Cc1ccc(O)c([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000037746334 1122237353 /nfs/dbraw/zinc/23/73/53/1122237353.db2.gz ICUXZZQZOAGYMW-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)/C=C/c2cccs2)c1C ZINC000916804671 1122350996 /nfs/dbraw/zinc/35/09/96/1122350996.db2.gz OTRATDJCAYZJKT-BQYQJAHWSA-N -1 0 349.477 3.500 20 0 EHADRM CCc1nc([N-]S(=O)(=O)c2cc(C)ccc2Cl)sc1C ZINC000497849514 1122682486 /nfs/dbraw/zinc/68/24/86/1122682486.db2.gz UQUXLODWVNCUID-UHFFFAOYSA-N -1 0 330.862 3.777 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)c(F)c1 ZINC000497954359 1122712594 /nfs/dbraw/zinc/71/25/94/1122712594.db2.gz DGIXHCCZDNCPJY-UHFFFAOYSA-N -1 0 335.400 3.724 20 0 EHADRM O=S(=O)(Cc1cccc(F)c1)[N-][C@@H](c1ccccc1)C(F)(F)F ZINC000068881667 1122717594 /nfs/dbraw/zinc/71/75/94/1122717594.db2.gz UCUYJBGRUYVOSR-AWEZNQCLSA-N -1 0 347.333 3.549 20 0 EHADRM Cc1ccc(-c2[n-][nH]c(=NC(=O)c3c(C)[nH]c4ccccc43)c2C)o1 ZINC000556067391 1122798354 /nfs/dbraw/zinc/79/83/54/1122798354.db2.gz OWMWJBLENFMATJ-UHFFFAOYSA-N -1 0 334.379 3.750 20 0 EHADRM O=C(N=c1nc(-c2ccsc2)[n-]s1)N1CCCC2(CCCC2)C1 ZINC000556096993 1122810735 /nfs/dbraw/zinc/81/07/35/1122810735.db2.gz DUQCETLSGMLPIA-UHFFFAOYSA-N -1 0 348.497 3.877 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2ccccc2Cl)c2cccnc12 ZINC000129615661 1122811604 /nfs/dbraw/zinc/81/16/04/1122811604.db2.gz ONQZUFXWRLNQOA-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM Cc1cc(N(C)C)cc(C)c1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000129878221 1122852875 /nfs/dbraw/zinc/85/28/75/1122852875.db2.gz AUZPXABRENDXGL-UHFFFAOYSA-N -1 0 332.444 3.733 20 0 EHADRM Cc1ccccc1-c1n[n-]c(=NCc2ccnn2-c2ccccc2C)o1 ZINC000556273370 1122911433 /nfs/dbraw/zinc/91/14/33/1122911433.db2.gz RMEMJXWCKAYWOQ-UHFFFAOYSA-N -1 0 345.406 3.573 20 0 EHADRM O=C([O-])c1cccc(NCc2ccc(OC[C@H]3CCCO3)cc2)c1 ZINC000556323387 1122929259 /nfs/dbraw/zinc/92/92/59/1122929259.db2.gz IKHBYOBHJMXTJR-GOSISDBHSA-N -1 0 327.380 3.555 20 0 EHADRM CCc1ccc(C(=O)[O-])cc1NCc1cc(OC)c(OC)cc1OC ZINC000556323477 1122929316 /nfs/dbraw/zinc/92/93/16/1122929316.db2.gz QNCVUMIYDBXXDP-UHFFFAOYSA-N -1 0 345.395 3.585 20 0 EHADRM CC(C)(C)CN(Cc1ccccc1)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000498647509 1123006879 /nfs/dbraw/zinc/00/68/79/1123006879.db2.gz SYIFOSZXGUKOGD-DLBZAZTESA-N -1 0 331.456 3.952 20 0 EHADRM CC(C)(NC(=O)c1ccc(Br)c(O)c1)c1ccccc1 ZINC000312445461 1129094695 /nfs/dbraw/zinc/09/46/95/1129094695.db2.gz QVNRYGBJMZPWOU-UHFFFAOYSA-N -1 0 334.213 3.820 20 0 EHADRM COc1ccc(NC(=O)c2ccc(Br)c([O-])c2)c(C)c1 ZINC000131247013 1123065004 /nfs/dbraw/zinc/06/50/04/1123065004.db2.gz GTZABVCWNTTXIY-UHFFFAOYSA-N -1 0 336.185 3.724 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(Oc3cccc(C)c3)cc2)no1 ZINC000498971867 1123130898 /nfs/dbraw/zinc/13/08/98/1123130898.db2.gz YSTPVRUBWNADCM-UHFFFAOYSA-N -1 0 344.392 3.885 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cc3ccccc3o2)cc1OC ZINC000131677701 1123163427 /nfs/dbraw/zinc/16/34/27/1123163427.db2.gz TVBWLXMXNGUAKZ-UHFFFAOYSA-N -1 0 347.392 3.641 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCc2c1cccc2C(F)(F)F ZINC000131949478 1123192656 /nfs/dbraw/zinc/19/26/56/1123192656.db2.gz SIRYEROGEZMAAT-UHFFFAOYSA-N -1 0 325.261 3.753 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N1CCC(CCc2ccccc2)CC1 ZINC000920255234 1123343954 /nfs/dbraw/zinc/34/39/54/1123343954.db2.gz QILCKACJSDZLQZ-UHFFFAOYSA-N -1 0 331.456 3.749 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)[C@]2(C)CCc3ccccc32)cc1)C(=O)[O-] ZINC000649247694 1123379118 /nfs/dbraw/zinc/37/91/18/1123379118.db2.gz FSLUWGFBJAINRW-LHSJRXKWSA-N -1 0 337.419 3.792 20 0 EHADRM O=C([O-])C[C@H](NC(=O)/C=C\c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000920939045 1123440553 /nfs/dbraw/zinc/44/05/53/1123440553.db2.gz YLDIGVALEFETTL-FWRXFDSUSA-N -1 0 347.773 3.825 20 0 EHADRM CC(=O)Nc1cc(NC(=O)c2ccc(Cl)cc2[O-])c(F)cc1F ZINC000921156198 1123473034 /nfs/dbraw/zinc/47/30/34/1123473034.db2.gz KSJFDURZYLXZIN-UHFFFAOYSA-N -1 0 340.713 3.535 20 0 EHADRM CCC(CC)(CNC(=O)C1(c2ccc(F)cc2)CCCC1)C(=O)[O-] ZINC000236827645 1123473687 /nfs/dbraw/zinc/47/36/87/1123473687.db2.gz SFQOQIRAPIUZBQ-UHFFFAOYSA-N -1 0 335.419 3.645 20 0 EHADRM CCOc1ccc(NC(=O)c2c([O-])cc(F)cc2F)cc1Cl ZINC000066047315 1129124339 /nfs/dbraw/zinc/12/43/39/1129124339.db2.gz QRVGXKNENMIHPY-UHFFFAOYSA-N -1 0 327.714 3.975 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000237006631 1123488224 /nfs/dbraw/zinc/48/82/24/1123488224.db2.gz FYZLDXOQGOLSEZ-KRWDZBQOSA-N -1 0 327.380 3.798 20 0 EHADRM O=S(=O)(Cc1ccccc1F)[N-][C@@H](c1ccccc1)C(F)(F)F ZINC000076351485 1123489457 /nfs/dbraw/zinc/48/94/57/1123489457.db2.gz RRHPXZSJSZAPKA-AWEZNQCLSA-N -1 0 347.333 3.549 20 0 EHADRM COc1ccc(C[C@@H](C)C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000237218943 1123500921 /nfs/dbraw/zinc/50/09/21/1123500921.db2.gz GKKVEODQSALJCQ-LLVKDONJSA-N -1 0 347.798 3.864 20 0 EHADRM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1ccc(C(=O)[O-])s1 ZINC000237393220 1123517189 /nfs/dbraw/zinc/51/71/89/1123517189.db2.gz ZVVBTWKSQCALOE-PSLIRLAXSA-N -1 0 333.384 3.639 20 0 EHADRM Cc1[nH]c2ccc(CNC(=O)c3c([O-])cc(F)cc3F)cc2c1C ZINC000066054113 1129127416 /nfs/dbraw/zinc/12/74/16/1129127416.db2.gz VMWKHQOMFNGKPD-UHFFFAOYSA-N -1 0 330.334 3.699 20 0 EHADRM O=C([O-])c1cc(/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ncn1 ZINC000134679570 1123541997 /nfs/dbraw/zinc/54/19/97/1123541997.db2.gz QRISCLMACJLNDA-SNAWJCMRSA-N -1 0 337.291 3.513 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCc1cccc(Cl)c1 ZINC000237968715 1123552932 /nfs/dbraw/zinc/55/29/32/1123552932.db2.gz KTTDHZHMRRWUCZ-BPUTZDHNSA-N -1 0 335.831 3.517 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCCC(c2ccccc2)c2ccccc2)o1 ZINC000238012361 1123555085 /nfs/dbraw/zinc/55/50/85/1123555085.db2.gz FVQRKSLOBKRCLP-UHFFFAOYSA-N -1 0 349.386 3.930 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2Cl)cc1 ZINC000238115435 1123562279 /nfs/dbraw/zinc/56/22/79/1123562279.db2.gz SEVPZTQIHVSQHV-QWHCGFSZSA-N -1 0 347.773 3.597 20 0 EHADRM O=C(Nc1nc(-c2cccnc2)cs1)c1ccc(Cl)cc1[O-] ZINC000078345516 1123621571 /nfs/dbraw/zinc/62/15/71/1123621571.db2.gz YBTAWJZMMAGZNE-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM CCc1nc(CNC(=O)c2c([O-])cc(Cl)cc2Cl)cs1 ZINC000080026535 1123735178 /nfs/dbraw/zinc/73/51/78/1123735178.db2.gz TZEFEFAPEWGJGC-UHFFFAOYSA-N -1 0 331.224 3.648 20 0 EHADRM CC(C)c1cnc([N-]S(=O)(=O)c2c(F)cccc2Cl)s1 ZINC000137278898 1123756755 /nfs/dbraw/zinc/75/67/55/1123756755.db2.gz FZZFVCYBKHDPKL-UHFFFAOYSA-N -1 0 334.825 3.860 20 0 EHADRM Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000080971400 1123770253 /nfs/dbraw/zinc/77/02/53/1123770253.db2.gz CENSTGAIGCFUEZ-UHFFFAOYSA-N -1 0 331.315 3.520 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000615280118 1123770849 /nfs/dbraw/zinc/77/08/49/1123770849.db2.gz BBQFUEXZHFKFCZ-HIFRSBDPSA-N -1 0 343.427 3.706 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)CCc1cc(F)ccc1F ZINC000237583650 1123780826 /nfs/dbraw/zinc/78/08/26/1123780826.db2.gz NQTLEOMQGXRZTH-QGZVFWFLSA-N -1 0 347.361 3.538 20 0 EHADRM Cc1ccc2c(CC(=O)N3CCC[C@@H](CCC(=O)[O-])C3)coc2c1C ZINC000237870534 1123897278 /nfs/dbraw/zinc/89/72/78/1123897278.db2.gz BODMFTYUEDSQLT-HNNXBMFYSA-N -1 0 343.423 3.696 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)cc1Cl ZINC000082345688 1123999724 /nfs/dbraw/zinc/99/97/24/1123999724.db2.gz PTDBBOUQHNVYKO-UHFFFAOYSA-N -1 0 336.800 3.631 20 0 EHADRM O=C([O-])CCCCNC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl ZINC000238183481 1124005238 /nfs/dbraw/zinc/00/52/38/1124005238.db2.gz BZWUZYRCDDDDEU-QPJJXVBHSA-N -1 0 349.736 3.743 20 0 EHADRM O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000180770661 1124065873 /nfs/dbraw/zinc/06/58/73/1124065873.db2.gz ZETJJOHLGCAGJK-QHHAFSJGSA-N -1 0 348.698 3.758 20 0 EHADRM C[C@H]1CCC[C@H](CCNC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)C1 ZINC000734558435 1131248879 /nfs/dbraw/zinc/24/88/79/1131248879.db2.gz UMILSXBJZXBFJQ-NWDGAFQWSA-N -1 0 345.468 3.570 20 0 EHADRM CC1(C)CN(C(=O)c2cc(F)c(F)c([O-])c2F)CCc2ccccc21 ZINC000617518353 1124622775 /nfs/dbraw/zinc/62/27/75/1124622775.db2.gz JEEYBLNOFOQRGY-UHFFFAOYSA-N -1 0 349.352 3.786 20 0 EHADRM CC(C)[C@H](NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(F)cc1F ZINC000263574624 1124639283 /nfs/dbraw/zinc/63/92/83/1124639283.db2.gz NTOMKSCQAWXXJK-MKBNYLNASA-N -1 0 339.382 3.669 20 0 EHADRM O=C(c1nn(-c2ccccc2)cc1[O-])N1CCCC2(CCCC2)CC1 ZINC000617562412 1124645011 /nfs/dbraw/zinc/64/50/11/1124645011.db2.gz KKOKJQSIBAJDRP-UHFFFAOYSA-N -1 0 339.439 3.764 20 0 EHADRM CC(C)CCOC1CCN(c2cc(C(C)(C)C)nc(C(=O)[O-])n2)CC1 ZINC000649386466 1124649452 /nfs/dbraw/zinc/64/94/52/1124649452.db2.gz KYEBYIAAHDUPCV-UHFFFAOYSA-N -1 0 349.475 3.504 20 0 EHADRM CC[C@H](CN(CC)C(=O)C1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000263577625 1124661250 /nfs/dbraw/zinc/66/12/50/1124661250.db2.gz RQQBXNZBNIFOJP-FAEJEUNOSA-N -1 0 331.456 3.920 20 0 EHADRM [O-]c1cc(Br)ccc1-c1nc([C@H]2Cc3ccccc32)no1 ZINC000086492388 1124684347 /nfs/dbraw/zinc/68/43/47/1124684347.db2.gz SQAUVJISBJNLJE-ZDUSSCGKSA-N -1 0 343.180 3.893 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(Cl)cc1Cl ZINC000250732769 1124842415 /nfs/dbraw/zinc/84/24/15/1124842415.db2.gz AIDAUSDRIWCEAD-FZZIBODNSA-N -1 0 342.222 3.851 20 0 EHADRM COc1ccc(C(=O)/C=C/c2cccc(O[C@@H](C)C(=O)[O-])c2)cc1F ZINC000069621496 1124956824 /nfs/dbraw/zinc/95/68/24/1124956824.db2.gz BFWWSUCFMAVAQD-WMADIVHISA-N -1 0 344.338 3.582 20 0 EHADRM CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000181803178 1125044147 /nfs/dbraw/zinc/04/41/47/1125044147.db2.gz BRKWBULVGLULTJ-UHFFFAOYSA-N -1 0 345.754 3.622 20 0 EHADRM C[C@@H](Sc1n[n-]c(=NCCc2ccccc2)s1)c1cccnc1 ZINC000618427646 1125082898 /nfs/dbraw/zinc/08/28/98/1125082898.db2.gz XCVWKSVWGYOMCV-CYBMUJFWSA-N -1 0 342.493 3.863 20 0 EHADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)C[C@@H](C)c1ccc(C(C)C)cc1 ZINC000181960290 1125094203 /nfs/dbraw/zinc/09/42/03/1125094203.db2.gz JZVBIUSQZUSPKM-KGLIPLIRSA-N -1 0 325.474 3.548 20 0 EHADRM O=S(=O)(Nc1ccc(O)c(Cl)c1)C1=Cc2ccccc2CC1 ZINC000182493926 1125315928 /nfs/dbraw/zinc/31/59/28/1125315928.db2.gz CYDICNFINYDKPW-UHFFFAOYSA-N -1 0 335.812 3.775 20 0 EHADRM Cc1ccc(Oc2ccccc2NC(=O)[C@H]2CC[C@@H]2C(=O)[O-])cc1 ZINC000262078043 1125403282 /nfs/dbraw/zinc/40/32/82/1125403282.db2.gz KLRJHGNKTFDONN-GJZGRUSLSA-N -1 0 325.364 3.837 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(Oc3ccccc3)cc2)CC[C@H]1C(=O)[O-] ZINC000262238387 1125415151 /nfs/dbraw/zinc/41/51/51/1125415151.db2.gz OUZHSCWZEAULII-RDTXWAMCSA-N -1 0 339.391 3.662 20 0 EHADRM CO[C@H](C)c1nsc(NC(=O)c2ccc(C(F)(F)F)s2)n1 ZINC000673154213 1129217428 /nfs/dbraw/zinc/21/74/28/1129217428.db2.gz ATLQJXPLKVOGKY-RXMQYKEDSA-N -1 0 337.348 3.578 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccccc2-n2nccc2C)s1 ZINC000543166861 1129308129 /nfs/dbraw/zinc/30/81/29/1129308129.db2.gz WPZJMAQVLOSJTB-UHFFFAOYSA-N -1 0 347.465 3.605 20 0 EHADRM O=S(=O)([N-]c1ccccc1C(F)(F)F)c1cccnc1Cl ZINC000035186215 1129331093 /nfs/dbraw/zinc/33/10/93/1129331093.db2.gz CMXGFLVGHIJUIC-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM CCN(C(=O)c1n[n-]c2ccccc2c1=O)c1cccc(Cl)c1 ZINC000735648860 1131368539 /nfs/dbraw/zinc/36/85/39/1131368539.db2.gz AWXOGDKMRIRTBX-UHFFFAOYSA-N -1 0 327.771 3.656 20 0 EHADRM Cc1cc(=NC(=O)CCCCCO[C@H]2CCC[C@@H](C)C2)[n-]nc1C ZINC000499731889 1129426086 /nfs/dbraw/zinc/42/60/86/1129426086.db2.gz NIDAYANEANARGC-PBHICJAKSA-N -1 0 333.476 3.610 20 0 EHADRM COC1CCC(CCN=c2[n-]nc(Cc3ccccc3)s2)CC1 ZINC000543453316 1129496006 /nfs/dbraw/zinc/49/60/06/1129496006.db2.gz MYRPHZHKVZJSTH-UHFFFAOYSA-N -1 0 331.485 3.558 20 0 EHADRM CC(C)Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000013177904 1129508719 /nfs/dbraw/zinc/50/87/19/1129508719.db2.gz FYFQEILELFKXCN-SFHVURJKSA-N -1 0 343.398 3.970 20 0 EHADRM O=C(OCc1ccc(OC(F)(F)F)cc1)c1c(F)cc([O-])cc1F ZINC000735949335 1131393286 /nfs/dbraw/zinc/39/32/86/1131393286.db2.gz BZEBHJCKKIIXMK-UHFFFAOYSA-N -1 0 348.223 3.926 20 0 EHADRM O=C(OCCOc1ccc(Cl)cc1)c1c(F)cc([O-])cc1F ZINC000735949778 1131393640 /nfs/dbraw/zinc/39/36/40/1131393640.db2.gz HXIRFVKPUFYGPZ-UHFFFAOYSA-N -1 0 328.698 3.560 20 0 EHADRM CO[C@@H](C)CS(=O)(=O)[N-]c1cc(C)ccc1Oc1ccccc1 ZINC000509085724 1129731979 /nfs/dbraw/zinc/73/19/79/1129731979.db2.gz VSIRMBSBJOETAJ-AWEZNQCLSA-N -1 0 335.425 3.564 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)[C@@H](C(=O)[O-])C1 ZINC000158982113 1129750659 /nfs/dbraw/zinc/75/06/59/1129750659.db2.gz HRTSQNOCZFWFND-QPUJVOFHSA-N -1 0 331.199 3.710 20 0 EHADRM CCCc1n[n-]c(=NCc2cn(C)nc2-c2ccccc2Cl)s1 ZINC000347791673 1129789207 /nfs/dbraw/zinc/78/92/07/1129789207.db2.gz JQEGYAOKBRYUDR-UHFFFAOYSA-N -1 0 347.875 3.579 20 0 EHADRM CCC(CC)c1n[n-]c(=NCc2cnc(-c3ccncc3)s2)s1 ZINC000347810823 1129850459 /nfs/dbraw/zinc/85/04/59/1129850459.db2.gz ILGDPBKELBKWNZ-UHFFFAOYSA-N -1 0 345.497 3.994 20 0 EHADRM Cc1nc(COc2ccc(CN=c3[n-]nc(C(C)C)o3)cc2)cs1 ZINC000347812605 1129861908 /nfs/dbraw/zinc/86/19/08/1129861908.db2.gz KCQCMPNDJUDRTR-UHFFFAOYSA-N -1 0 344.440 3.571 20 0 EHADRM O=C([O-])c1ccc(Nc2ccnn2Cc2ccccc2)c(F)c1F ZINC001212510817 1129864137 /nfs/dbraw/zinc/86/41/37/1129864137.db2.gz DGIOZVJALPMGHP-UHFFFAOYSA-N -1 0 329.306 3.651 20 0 EHADRM CCOc1cc(CN=c2[n-]nc(C(CC)CC)s2)ccc1OC ZINC000347818041 1129874884 /nfs/dbraw/zinc/87/48/84/1129874884.db2.gz UJYSBQADPXZVAO-UHFFFAOYSA-N -1 0 335.473 3.883 20 0 EHADRM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2c[nH]c(C(C)C)n2)cc1 ZINC000673884040 1129895648 /nfs/dbraw/zinc/89/56/48/1129895648.db2.gz HVWPMBOZAHMYKU-LBPRGKRZSA-N -1 0 337.445 3.511 20 0 EHADRM CC(C)c1nc(S(=O)(=O)[N-]c2ccccc2OC(C)(C)C)c[nH]1 ZINC000673885521 1129895832 /nfs/dbraw/zinc/89/58/32/1129895832.db2.gz ZKOSVHALHCJHDU-UHFFFAOYSA-N -1 0 337.445 3.511 20 0 EHADRM Cc1ccc([C@H]2OCCC[C@H]2NC(=O)c2c([O-])cc(F)cc2F)cc1 ZINC000673917302 1129906594 /nfs/dbraw/zinc/90/65/94/1129906594.db2.gz BSQCZUXTBDERGC-CRAIPNDOSA-N -1 0 347.361 3.629 20 0 EHADRM O=C([O-])c1ccc(Nc2cccc(O)c2Br)c(F)c1F ZINC001212515641 1129929270 /nfs/dbraw/zinc/92/92/70/1129929270.db2.gz HQNHYAVZKMBLMA-UHFFFAOYSA-N -1 0 344.111 3.875 20 0 EHADRM CC1(C)COC(c2cccc(Nc3ccc(C(=O)[O-])c(F)c3F)c2)=N1 ZINC001212515653 1129929379 /nfs/dbraw/zinc/92/93/79/1129929379.db2.gz IAFQOWKFQXVYQS-UHFFFAOYSA-N -1 0 346.333 3.962 20 0 EHADRM CCOc1cccc(CN=c2[n-]nc(C[C@H](C)CC(C)(C)C)o2)n1 ZINC000347863380 1129942740 /nfs/dbraw/zinc/94/27/40/1129942740.db2.gz ASCRRBQOLZRNCU-ZDUSSCGKSA-N -1 0 332.448 3.512 20 0 EHADRM O=C(N[C@H]1CCC[C@H]1c1ccccc1)c1cc(F)c(F)c([O-])c1F ZINC000544560803 1129965634 /nfs/dbraw/zinc/96/56/34/1129965634.db2.gz IVQMNNKFCKPZKT-FZMZJTMJSA-N -1 0 335.325 3.876 20 0 EHADRM COc1ccc(C)cc1CN=c1[n-]nc(CCCc2cccs2)o1 ZINC000347890621 1129988952 /nfs/dbraw/zinc/98/89/52/1129988952.db2.gz KJCWOFITRAGCNE-UHFFFAOYSA-N -1 0 343.452 3.657 20 0 EHADRM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1 ZINC000171013334 1129997645 /nfs/dbraw/zinc/99/76/45/1129997645.db2.gz QNKRUDWFJYYHGH-VIFPVBQESA-N -1 0 345.342 3.612 20 0 EHADRM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccnn1[C@@H](C)C1CC1 ZINC000171342049 1130047619 /nfs/dbraw/zinc/04/76/19/1130047619.db2.gz RHEPBSCHOGCOKF-NSHDSACASA-N -1 0 339.848 3.617 20 0 EHADRM CC1(C)CN(C(=O)c2nn(-c3ccccc3)cc2[O-])c2ccccc21 ZINC000675148149 1130266979 /nfs/dbraw/zinc/26/69/79/1130266979.db2.gz CEEADYKTHAODRI-UHFFFAOYSA-N -1 0 333.391 3.516 20 0 EHADRM Cc1[nH]c2ccc(C(=O)N(CC(=O)[O-])C3CCCCC3)cc2c1C ZINC000675993898 1130513379 /nfs/dbraw/zinc/51/33/79/1130513379.db2.gz TYGRDSIJUBEFOP-UHFFFAOYSA-N -1 0 328.412 3.644 20 0 EHADRM CCCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccccc1C ZINC000727949880 1130612456 /nfs/dbraw/zinc/61/24/56/1130612456.db2.gz AQZNMSKWUWPVND-AWEZNQCLSA-N -1 0 325.474 3.797 20 0 EHADRM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)C1(C)CCCC1 ZINC000731766721 1130839644 /nfs/dbraw/zinc/83/96/44/1130839644.db2.gz CYJZIVGPCCQBNI-UHFFFAOYSA-N -1 0 337.485 3.678 20 0 EHADRM CC(C)CCS(=O)(=O)[N-]C(=O)c1cc2c(cccc2Cl)s1 ZINC000732513478 1130930241 /nfs/dbraw/zinc/93/02/41/1130930241.db2.gz VCQDRQWXGXTKTH-UHFFFAOYSA-N -1 0 345.873 3.660 20 0 EHADRM CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)OC1CCCCC1 ZINC000732879613 1130966913 /nfs/dbraw/zinc/96/69/13/1130966913.db2.gz JJCNAGZCZDDIDW-UHFFFAOYSA-N -1 0 347.436 3.701 20 0 EHADRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccccc1SC(C)C ZINC000732906208 1130969236 /nfs/dbraw/zinc/96/92/36/1130969236.db2.gz WCEZPKMLPXDUPL-ZDUSSCGKSA-N -1 0 343.514 3.683 20 0 EHADRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)C[C@@H](c1ccccc1)C(C)C ZINC000732904326 1130971928 /nfs/dbraw/zinc/97/19/28/1130971928.db2.gz DCHBDWDAADWSHW-NVXWUHKLSA-N -1 0 339.501 3.699 20 0 EHADRM O=C(O[C@@H]1C=CCCC1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000733495587 1131048058 /nfs/dbraw/zinc/04/80/58/1131048058.db2.gz JITLGJVIJBLYIS-LLVKDONJSA-N -1 0 348.196 3.556 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)c1cccc(Oc2ccccc2)c1 ZINC000733714899 1131073720 /nfs/dbraw/zinc/07/37/20/1131073720.db2.gz ZZPFLLXZKOVNJT-UHFFFAOYSA-N -1 0 347.436 3.727 20 0 EHADRM Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1 ZINC000348049827 1131128649 /nfs/dbraw/zinc/12/86/49/1131128649.db2.gz SDPIBYDCAXMFBM-ZDUSSCGKSA-N -1 0 345.420 3.578 20 0 EHADRM CC[C@H](NC(=O)c1n[n-]c2ccccc2c1=O)c1ccc(Cl)s1 ZINC000734016109 1131184186 /nfs/dbraw/zinc/18/41/86/1131184186.db2.gz KTOLUAOUMLKCEJ-JTQLQIEISA-N -1 0 347.827 3.931 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000734080443 1131194518 /nfs/dbraw/zinc/19/45/18/1131194518.db2.gz QXMHMCURJBPDHW-INIZCTEOSA-N -1 0 337.485 3.715 20 0 EHADRM CC[C@H](CC(=O)[N-]S(=O)(=O)C1CCCCC1)c1ccc(C)cc1 ZINC000739173286 1131492768 /nfs/dbraw/zinc/49/27/68/1131492768.db2.gz FSVZKZCKLANSBT-OAHLLOKOSA-N -1 0 337.485 3.657 20 0 EHADRM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1csc2ccccc12 ZINC000737349327 1131495450 /nfs/dbraw/zinc/49/54/50/1131495450.db2.gz USVCFYDKXLZHSQ-GFCCVEGCSA-N -1 0 345.445 3.722 20 0 EHADRM CCc1cnc([N-]S(=O)(=O)/C=C\c2ccc(Cl)cc2)s1 ZINC000743048423 1131843333 /nfs/dbraw/zinc/84/33/33/1131843333.db2.gz ODRUNVXOSFWLQE-FPLPWBNLSA-N -1 0 328.846 3.772 20 0 EHADRM CCc1nnc(-c2ccc(NC(=O)c3c([O-])cccc3Cl)cc2)o1 ZINC000743806542 1131977292 /nfs/dbraw/zinc/97/72/92/1131977292.db2.gz VKDBKZIJMSMNSS-UHFFFAOYSA-N -1 0 343.770 3.910 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)CCCC2CCCC2)cc1 ZINC000744011883 1132007425 /nfs/dbraw/zinc/00/74/25/1132007425.db2.gz FGJJPOAUDAQXGK-UHFFFAOYSA-N -1 0 337.485 3.805 20 0 EHADRM CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000744005722 1132007893 /nfs/dbraw/zinc/00/78/93/1132007893.db2.gz RDWUOFGUKMCTSA-GFCCVEGCSA-N -1 0 331.865 3.751 20 0 EHADRM CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000744097811 1132022209 /nfs/dbraw/zinc/02/22/09/1132022209.db2.gz ZPGFJBDPWZOUOU-CQSZACIVSA-N -1 0 348.468 3.646 20 0 EHADRM COc1ccc(Nc2cc(Cl)c(C)cc2S(=O)(=O)[O-])cc1 ZINC001173804543 1132152430 /nfs/dbraw/zinc/15/24/30/1132152430.db2.gz BREYMGUXPFVUBU-UHFFFAOYSA-N -1 0 327.789 3.647 20 0 EHADRM COCc1cccc(Nc2cc(Cl)c(C)cc2S(=O)(=O)[O-])c1 ZINC001174095156 1132226514 /nfs/dbraw/zinc/22/65/14/1132226514.db2.gz ZNHYOIOQKLRANQ-UHFFFAOYSA-N -1 0 341.816 3.785 20 0 EHADRM CCCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000745968042 1132340646 /nfs/dbraw/zinc/34/06/46/1132340646.db2.gz XJJCNSGRLNARCB-AWEZNQCLSA-N -1 0 343.464 3.936 20 0 EHADRM CC(C)n1cnc2cc(Nc3cccc(S(=O)(=O)[O-])c3)ccc21 ZINC001174381107 1132343687 /nfs/dbraw/zinc/34/36/87/1132343687.db2.gz FPMTZJHHCZEAGO-UHFFFAOYSA-N -1 0 331.397 3.608 20 0 EHADRM O=S(=O)([O-])c1ccc2c(cccc2Nc2ccnc3[nH]ccc32)c1 ZINC001174414637 1132367116 /nfs/dbraw/zinc/36/71/16/1132367116.db2.gz ZCOKYBFESDENSK-UHFFFAOYSA-N -1 0 339.376 3.658 20 0 EHADRM COc1cc(Nc2cccc(/C=C/C(=O)[O-])c2)cnc1Br ZINC001174494471 1132371330 /nfs/dbraw/zinc/37/13/30/1132371330.db2.gz FBMBZEJTIYIJQX-AATRIKPKSA-N -1 0 349.184 3.694 20 0 EHADRM COC(=O)c1nc2ccccc2cc1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174496968 1132372209 /nfs/dbraw/zinc/37/22/09/1132372209.db2.gz XBGWBCXRGHKUFS-MDZDMXLPSA-N -1 0 348.358 3.863 20 0 EHADRM CCc1c(C)sc(Nc2cccc(/C=C/C(=O)[O-])c2)c1C(N)=O ZINC001174495885 1132372267 /nfs/dbraw/zinc/37/22/67/1132372267.db2.gz ZKULKDONMDMBRF-BQYQJAHWSA-N -1 0 330.409 3.559 20 0 EHADRM Cc1ccc(C(=O)NC2CC2)cc1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174497542 1132373229 /nfs/dbraw/zinc/37/32/29/1132373229.db2.gz XFOKOTCXKAABMF-UXBLZVDNSA-N -1 0 336.391 3.729 20 0 EHADRM Cc1cccc([C@@H](C)CNC(=O)c2ccc3[n-]c(=S)oc3c2)c1 ZINC000746291210 1132403416 /nfs/dbraw/zinc/40/34/16/1132403416.db2.gz OVPBHJOANKKMBM-LBPRGKRZSA-N -1 0 326.421 3.958 20 0 EHADRM Cc1cc(O)ccc1Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1 ZINC001174564613 1132416195 /nfs/dbraw/zinc/41/61/95/1132416195.db2.gz RBNTZWPBAMINTR-UHFFFAOYSA-N -1 0 329.377 3.844 20 0 EHADRM COCCCOc1ccc(F)cc1Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001174684669 1132435955 /nfs/dbraw/zinc/43/59/55/1132435955.db2.gz DVDQNELGCQOTLS-UHFFFAOYSA-N -1 0 349.358 3.691 20 0 EHADRM CC(C)CCC[C@@H](C)NC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000746327932 1132445443 /nfs/dbraw/zinc/44/54/43/1132445443.db2.gz MWKXHKHJLFJNJB-CQSZACIVSA-N -1 0 330.428 3.671 20 0 EHADRM CCc1ccccc1S(=O)(=O)Nc1ccc(-n2cccn2)cc1C ZINC000190379836 1132453239 /nfs/dbraw/zinc/45/32/39/1132453239.db2.gz BGDDTTLPWRQKOV-UHFFFAOYSA-N -1 0 341.436 3.544 20 0 EHADRM CN(Cc1cccc(C(F)(F)F)c1)C(=O)CC(C)(C)CC(=O)[O-] ZINC000190625887 1132454737 /nfs/dbraw/zinc/45/47/37/1132454737.db2.gz LIECGZZFAWHSAE-UHFFFAOYSA-N -1 0 331.334 3.555 20 0 EHADRM CCOc1n[nH]c(NC(=O)C(C)=Cc2c(Cl)cccc2Cl)n1 ZINC001174746090 1132464657 /nfs/dbraw/zinc/46/46/57/1132464657.db2.gz ZPUCZYWKOQXHOV-BQYQJAHWSA-N -1 0 341.198 3.552 20 0 EHADRM COC(=O)c1cccc2nc(Nc3ccc(C(=O)[O-])s3)sc21 ZINC001174805466 1132478110 /nfs/dbraw/zinc/47/81/10/1132478110.db2.gz DNFPGTLXWPMVIK-UHFFFAOYSA-N -1 0 334.378 3.586 20 0 EHADRM O=C([O-])c1ccc(Nc2cccc(I)c2)s1 ZINC001174810444 1132480107 /nfs/dbraw/zinc/48/01/07/1132480107.db2.gz NOBARMCYGHAREF-UHFFFAOYSA-N -1 0 345.161 3.795 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2ccc(Oc3cccnc3)cc2)cc1 ZINC001174851072 1132486606 /nfs/dbraw/zinc/48/66/06/1132486606.db2.gz NKQIDUFZSZIRTB-UHFFFAOYSA-N -1 0 342.376 3.864 20 0 EHADRM Cc1cnn(-c2ccc(-c3cc(C(=O)[O-])c4ccccc4n3)cc2)c1N ZINC001174851884 1132486629 /nfs/dbraw/zinc/48/66/29/1132486629.db2.gz AIVSGIMEMVPKPP-UHFFFAOYSA-N -1 0 344.374 3.676 20 0 EHADRM Cc1cc(S(=O)(=O)[O-])c(Nc2ccc(N(C)C)cc2)cc1Cl ZINC001174880988 1132494304 /nfs/dbraw/zinc/49/43/04/1132494304.db2.gz PNFCQDGVEBVQNB-UHFFFAOYSA-N -1 0 340.832 3.705 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1C ZINC000746357152 1132494657 /nfs/dbraw/zinc/49/46/57/1132494657.db2.gz UCUOIRZTAKSERA-UHFFFAOYSA-N -1 0 343.354 3.742 20 0 EHADRM COc1cccc(-n2ncc(C)c2Nc2ccc(CC(=O)[O-])cc2)c1 ZINC001174949568 1132515103 /nfs/dbraw/zinc/51/51/03/1132515103.db2.gz IRYRVLISNYEHCL-UHFFFAOYSA-N -1 0 337.379 3.560 20 0 EHADRM O=C([O-])Cc1ccc(Nc2ccc(N3CCSCC3)c(F)c2)cc1 ZINC001174954524 1132517842 /nfs/dbraw/zinc/51/78/42/1132517842.db2.gz NZIKJKWBQVLDGW-UHFFFAOYSA-N -1 0 346.427 3.750 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)c2sccc2C(C)C)c(C)s1 ZINC000746433380 1132529161 /nfs/dbraw/zinc/52/91/61/1132529161.db2.gz ZSQJDKAGVHHVRR-UHFFFAOYSA-N -1 0 343.495 3.669 20 0 EHADRM COc1ccccc1-n1nc(C)cc1Nc1cc(C(=O)[O-])ccc1C ZINC001174983842 1132535703 /nfs/dbraw/zinc/53/57/03/1132535703.db2.gz SZPRNEZHBZUPQY-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(Br)cnc2F)cc1F ZINC001175154322 1132569023 /nfs/dbraw/zinc/56/90/23/1132569023.db2.gz JPPVGALCYZTCQR-UHFFFAOYSA-N -1 0 329.100 3.564 20 0 EHADRM COc1cc(Nc2ccc(C(=O)[O-])c(F)c2)c(Cl)c(OC)c1 ZINC001175159702 1132571361 /nfs/dbraw/zinc/57/13/61/1132571361.db2.gz FMOZJLJDRQWMGC-UHFFFAOYSA-N -1 0 325.723 3.938 20 0 EHADRM COC(=O)c1cc(F)c(Nc2ccc(C(=O)[O-])c(F)c2)c(C)c1F ZINC001175160726 1132571523 /nfs/dbraw/zinc/57/15/23/1132571523.db2.gz MDHOKNMSFUXZQI-UHFFFAOYSA-N -1 0 339.269 3.641 20 0 EHADRM CC(=O)N1CCCc2ccc(Nc3ccc(C(=O)[O-])c(F)c3)cc21 ZINC001175160298 1132571831 /nfs/dbraw/zinc/57/18/31/1132571831.db2.gz NYWHXAMODMWCHD-UHFFFAOYSA-N -1 0 328.343 3.567 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(OC3CCOCC3)cc2)cc1F ZINC001175160372 1132571911 /nfs/dbraw/zinc/57/19/11/1132571911.db2.gz JBJHJRVRIQXLKT-UHFFFAOYSA-N -1 0 331.343 3.825 20 0 EHADRM CC(=O)c1ccccc1Nc1cc(Cl)c(C)cc1S(=O)(=O)[O-] ZINC001175181150 1132590476 /nfs/dbraw/zinc/59/04/76/1132590476.db2.gz HPKGNSRTWRIMNV-UHFFFAOYSA-N -1 0 339.800 3.841 20 0 EHADRM COC(=O)c1oc2cccc(F)c2c1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175217559 1132597905 /nfs/dbraw/zinc/59/79/05/1132597905.db2.gz UERNHXXVJGANRS-UHFFFAOYSA-N -1 0 347.273 3.939 20 0 EHADRM O=C([O-])c1cc(Nc2cc(Br)ccc2O)ccc1F ZINC001175218574 1132598145 /nfs/dbraw/zinc/59/81/45/1132598145.db2.gz GDXNTTVBLAHQJC-UHFFFAOYSA-N -1 0 326.121 3.736 20 0 EHADRM COc1cccc(Cn2nccc2Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC001175220043 1132599048 /nfs/dbraw/zinc/59/90/48/1132599048.db2.gz JRXSTRZGBHIBGD-UHFFFAOYSA-N -1 0 341.342 3.521 20 0 EHADRM O=C([O-])c1cc(Nc2ccc3nc(-c4ccccc4)nn3c2)ccc1F ZINC001175221345 1132599146 /nfs/dbraw/zinc/59/91/46/1132599146.db2.gz ZOJZYQPVNYJBOU-UHFFFAOYSA-N -1 0 348.337 3.977 20 0 EHADRM COC(=O)c1c(F)ccc(Nc2ccc(F)c(C(=O)[O-])c2)c1Cl ZINC001175222126 1132599852 /nfs/dbraw/zinc/59/98/52/1132599852.db2.gz TVNDAGOBDLDNCB-UHFFFAOYSA-N -1 0 341.697 3.847 20 0 EHADRM CC1(C)NC(=O)Nc2ccc(Nc3ccc(F)c(C(=O)[O-])c3)cc21 ZINC001175222636 1132600012 /nfs/dbraw/zinc/60/00/12/1132600012.db2.gz ZDVDUOJUYCYHAY-UHFFFAOYSA-N -1 0 329.331 3.638 20 0 EHADRM COc1cccc(CCC(=O)Nc2c(Cl)ccc([O-])c2Cl)n1 ZINC001175341248 1132626727 /nfs/dbraw/zinc/62/67/27/1132626727.db2.gz NKSRWGWVWUEWOQ-UHFFFAOYSA-N -1 0 341.194 3.674 20 0 EHADRM COC(=O)c1cc(Cl)ncc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175316266 1132636244 /nfs/dbraw/zinc/63/62/44/1132636244.db2.gz JGIAPTRMIKHQHS-UHFFFAOYSA-N -1 0 341.150 3.617 20 0 EHADRM COC(=O)Cc1ccc(OC)c(Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001175319398 1132637136 /nfs/dbraw/zinc/63/71/36/1132637136.db2.gz WYAAPPVHPUBBBE-UHFFFAOYSA-N -1 0 349.770 3.506 20 0 EHADRM O=C([O-])c1ccc(Nc2cccc(N3CCOCC3)c2)cc1Cl ZINC001175319109 1132637324 /nfs/dbraw/zinc/63/73/24/1132637324.db2.gz MJFGPPRPQSEWBP-UHFFFAOYSA-N -1 0 332.787 3.618 20 0 EHADRM COC(=O)[C@H]1Cc2cccc(Nc3ccc(C(=O)[O-])c(Cl)c3)c2C1 ZINC001175320687 1132637732 /nfs/dbraw/zinc/63/77/32/1132637732.db2.gz JAHQYNIPKGZGPE-NSHDSACASA-N -1 0 345.782 3.670 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc3c(c2)C(=O)N(C2CC2)C3)cc1Cl ZINC001175320231 1132638044 /nfs/dbraw/zinc/63/80/44/1132638044.db2.gz FLSMBLPZMZAGGD-UHFFFAOYSA-N -1 0 342.782 3.900 20 0 EHADRM COC(=O)CCc1ccc(Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001175322116 1132639199 /nfs/dbraw/zinc/63/91/99/1132639199.db2.gz UDOLZWAMHAWZHC-UHFFFAOYSA-N -1 0 333.771 3.887 20 0 EHADRM O=C([O-])c1cccc(Nc2ccccc2I)c1 ZINC001175329610 1132639904 /nfs/dbraw/zinc/63/99/04/1132639904.db2.gz QBWLGKMGHVDKBN-UHFFFAOYSA-N -1 0 339.132 3.733 20 0 EHADRM O=C([O-])c1cccc(Nc2ccc(N3CCOCC3)c(Cl)c2)c1 ZINC001175328851 1132640359 /nfs/dbraw/zinc/64/03/59/1132640359.db2.gz DBFAWUCSDWZOMA-UHFFFAOYSA-N -1 0 332.787 3.618 20 0 EHADRM O=C([O-])c1cccc(Nc2cc(Br)cn3ccnc23)c1 ZINC001175328826 1132640536 /nfs/dbraw/zinc/64/05/36/1132640536.db2.gz QEHZDIPRYIKMEB-UHFFFAOYSA-N -1 0 332.157 3.539 20 0 EHADRM CSc1ncc(Nc2ccc(Br)cc2[S-])cn1 ZINC001175652385 1132722910 /nfs/dbraw/zinc/72/29/10/1132722910.db2.gz REWSQMHYJMBTBR-UHFFFAOYSA-N -1 0 328.260 3.993 20 0 EHADRM Cc1cc2c(cc1C)N(C(=O)c1ccc(Br)c([O-])c1)CC2 ZINC000804321946 1132753545 /nfs/dbraw/zinc/75/35/45/1132753545.db2.gz PANIMSYUTOHAFQ-UHFFFAOYSA-N -1 0 346.224 3.974 20 0 EHADRM O=C([O-])c1cncc(Nc2cc(F)c(OCC3CCC3)c(F)c2)c1 ZINC001175843300 1132773751 /nfs/dbraw/zinc/77/37/51/1132773751.db2.gz OTFIBVIVKSRLNE-UHFFFAOYSA-N -1 0 334.322 3.981 20 0 EHADRM CN(C(=O)OC(C)(C)C)c1ccc(Nc2cncc(C(=O)[O-])c2)cc1 ZINC001175842377 1132773813 /nfs/dbraw/zinc/77/38/13/1132773813.db2.gz DEJHLVDTONKTPB-UHFFFAOYSA-N -1 0 343.383 3.895 20 0 EHADRM COC(=O)c1cc(Cl)c(Nc2cncc(C(=O)[O-])c2)c(Cl)c1 ZINC001175842425 1132773844 /nfs/dbraw/zinc/77/38/44/1132773844.db2.gz GUNIKCACHSSUDW-UHFFFAOYSA-N -1 0 341.150 3.617 20 0 EHADRM CN(C(=O)OC(C)(C)C)c1ccccc1Nc1cncc(C(=O)[O-])c1 ZINC001175846392 1132774722 /nfs/dbraw/zinc/77/47/22/1132774722.db2.gz BVVPAUBTZQXTKW-UHFFFAOYSA-N -1 0 343.383 3.895 20 0 EHADRM CCCn1nc(C)cc1Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1 ZINC001175805111 1132775475 /nfs/dbraw/zinc/77/54/75/1132775475.db2.gz UIXPHCUZTMOYEY-UHFFFAOYSA-N -1 0 345.424 3.745 20 0 EHADRM Cc1cc(C)c(Nc2cnn(C3CCCCC3)c2)c(S(=O)(=O)[O-])c1 ZINC001175884386 1132781943 /nfs/dbraw/zinc/78/19/43/1132781943.db2.gz LWVBCWQPNOXGKG-UHFFFAOYSA-N -1 0 349.456 3.995 20 0 EHADRM Cc1cc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)cc(C)c1N ZINC001175939284 1132791208 /nfs/dbraw/zinc/79/12/08/1132791208.db2.gz UOHVBTIVZGYADS-UHFFFAOYSA-N -1 0 326.805 3.529 20 0 EHADRM O=C([O-])Cn1cc(Nc2ccc(Oc3ccc(F)cc3)cc2)cn1 ZINC001176266822 1132898604 /nfs/dbraw/zinc/89/86/04/1132898604.db2.gz JSFXFMCVFRVDHL-UHFFFAOYSA-N -1 0 327.315 3.643 20 0 EHADRM CCN(CC)C(=O)c1cc(F)cc(Nc2ccc(C(=O)[O-])cc2)c1 ZINC001176299364 1132907844 /nfs/dbraw/zinc/90/78/44/1132907844.db2.gz UPDPESFWKASWAR-UHFFFAOYSA-N -1 0 330.359 3.750 20 0 EHADRM COc1cccc(Cn2ncc(C)c2Nc2csc(C(=O)[O-])c2)c1 ZINC001176435777 1132928612 /nfs/dbraw/zinc/92/86/12/1132928612.db2.gz FKHLAWWKOABBHB-UHFFFAOYSA-N -1 0 343.408 3.752 20 0 EHADRM CC(C)(C)[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000767020270 1132931834 /nfs/dbraw/zinc/93/18/34/1132931834.db2.gz MQPDITXUDVJUBI-OUJBWJOFSA-N -1 0 344.238 3.712 20 0 EHADRM COc1cc(Nc2ccc(CN3CCOCC3)cc2F)ccc1[S-] ZINC001176490126 1132946809 /nfs/dbraw/zinc/94/68/09/1132946809.db2.gz GOAXVYMFOCAJFV-UHFFFAOYSA-N -1 0 348.443 3.699 20 0 EHADRM CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000767094081 1132948446 /nfs/dbraw/zinc/94/84/46/1132948446.db2.gz ZQJZYAYBFIFAQT-HMWXGYMHSA-N -1 0 343.354 3.720 20 0 EHADRM COc1ccccc1[C@H]1C[C@@H]1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000767096907 1132949038 /nfs/dbraw/zinc/94/90/38/1132949038.db2.gz PKANMRREFSSIJW-OLZOCXBDSA-N -1 0 345.782 3.789 20 0 EHADRM COC(=O)c1c(C)ccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1F ZINC001176587693 1132961757 /nfs/dbraw/zinc/96/17/57/1132961757.db2.gz AMCHPDQBXFMUAP-UHFFFAOYSA-N -1 0 343.354 3.781 20 0 EHADRM Cc1cc(=O)c2ccc(Nc3ccc(C4(C(=O)[O-])CC4)cc3)cc2o1 ZINC001176590712 1132962264 /nfs/dbraw/zinc/96/22/64/1132962264.db2.gz RPZLHRRTQQOLBP-UHFFFAOYSA-N -1 0 335.359 3.961 20 0 EHADRM Cc1cc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cc2snnc21 ZINC001176590317 1132962271 /nfs/dbraw/zinc/96/22/71/1132962271.db2.gz NXUCZNOOFKVVSZ-UHFFFAOYSA-N -1 0 325.393 3.860 20 0 EHADRM CCOC(=O)Cc1cccc(Nc2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC001176596716 1132964551 /nfs/dbraw/zinc/96/45/51/1132964551.db2.gz KFAKGUAUOKMELA-DHZHZOJOSA-N -1 0 325.364 3.634 20 0 EHADRM O=S(=O)([O-])c1cc(Cl)ccc1Nc1cc(O)cc(Cl)c1 ZINC001176624475 1132973177 /nfs/dbraw/zinc/97/31/77/1132973177.db2.gz IKOHVKUWPQZNAV-UHFFFAOYSA-N -1 0 334.180 3.689 20 0 EHADRM CCOC(=O)Cc1ccc(Nc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC001176715138 1132995740 /nfs/dbraw/zinc/99/57/40/1132995740.db2.gz JOPWKJKFAQUEMW-UHFFFAOYSA-N -1 0 333.771 3.887 20 0 EHADRM O=C([N-][C@H](c1cccc(OC(F)(F)F)c1)C1CC1)C(F)(F)F ZINC000804363386 1133090928 /nfs/dbraw/zinc/09/09/28/1133090928.db2.gz FDKYBUAWZRQVDB-JTQLQIEISA-N -1 0 327.224 3.715 20 0 EHADRM COc1ccc(F)cc1[N-]S(=O)(=O)/C=C/c1ccccc1Cl ZINC000768283425 1133121315 /nfs/dbraw/zinc/12/13/15/1133121315.db2.gz QTNDWBOYFMBARM-CMDGGOBGSA-N -1 0 341.791 3.900 20 0 EHADRM O=C(NCc1cscc1Cl)c1cccc(Br)c1[O-] ZINC001178013134 1133124652 /nfs/dbraw/zinc/12/46/52/1133124652.db2.gz IGKIITBDPOACHS-UHFFFAOYSA-N -1 0 346.633 3.800 20 0 EHADRM CC[C@@H](Oc1ccccc1F)C(=O)Nc1cc(C(C)=O)cc(F)c1[O-] ZINC001178433113 1133163884 /nfs/dbraw/zinc/16/38/84/1133163884.db2.gz KEXKGDZEUQXVIJ-OAHLLOKOSA-N -1 0 349.333 3.669 20 0 EHADRM CCOC(=O)/C=C\c1ccc(NC(=O)c2c([O-])cccc2Cl)cc1 ZINC000769637986 1133319489 /nfs/dbraw/zinc/31/94/89/1133319489.db2.gz MALKOJJYBMWBRN-FLIBITNWSA-N -1 0 345.782 3.874 20 0 EHADRM COC(=O)c1ccc(NC(=O)c2c([O-])cccc2Cl)cc1Cl ZINC000769883381 1133363460 /nfs/dbraw/zinc/36/34/60/1133363460.db2.gz YZEUOIAPWASGTP-UHFFFAOYSA-N -1 0 340.162 3.738 20 0 EHADRM O=C([O-])C1(C(=O)N2CCC[C@H]2c2cc3ccccc3[nH]2)CCCCC1 ZINC001180435957 1133369459 /nfs/dbraw/zinc/36/94/59/1133369459.db2.gz QDEHCYOVQCHRSB-KRWDZBQOSA-N -1 0 340.423 3.867 20 0 EHADRM Cc1cc(OC(F)F)ccc1NC(=O)C1(C(=O)[O-])CCCCC1 ZINC001180438944 1133370438 /nfs/dbraw/zinc/37/04/38/1133370438.db2.gz RWBYYFVEVNNQCN-UHFFFAOYSA-N -1 0 327.327 3.570 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc(OC(F)(F)F)c2F)CCCCC1 ZINC001180436853 1133370465 /nfs/dbraw/zinc/37/04/65/1133370465.db2.gz UHNXFRJYBOGWEJ-UHFFFAOYSA-N -1 0 349.280 3.698 20 0 EHADRM C[C@@]1(C(=O)Nc2ccccc2[S-])CC(c2ccc(F)cc2)=NO1 ZINC001180455278 1133377833 /nfs/dbraw/zinc/37/78/33/1133377833.db2.gz HVINUMHAPAWSSM-KRWDZBQOSA-N -1 0 330.384 3.636 20 0 EHADRM O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1c(O)cccc1Cl ZINC000770096833 1133386338 /nfs/dbraw/zinc/38/63/38/1133386338.db2.gz NAAJCBJYMLCXAB-BBRMVZONSA-N -1 0 345.826 3.943 20 0 EHADRM CC(C)C[C@H](C(=O)[N-]OCCOc1ccccc1)c1ccccc1 ZINC001180648156 1133402909 /nfs/dbraw/zinc/40/29/09/1133402909.db2.gz DIFDJLURELCXKE-IBGZPJMESA-N -1 0 327.424 3.943 20 0 EHADRM CN(CC(=O)Nc1c(Cl)ccc([O-])c1Cl)c1ccccc1 ZINC001180947908 1133435320 /nfs/dbraw/zinc/43/53/20/1133435320.db2.gz LYCMRUIUNVBZBH-UHFFFAOYSA-N -1 0 325.195 3.774 20 0 EHADRM Cc1ccc(N(C)[C@H]2CCCN(C(=O)c3c([O-])cccc3F)C2)cc1 ZINC000773914868 1133479818 /nfs/dbraw/zinc/47/98/18/1133479818.db2.gz WHFVTEUZICRHKF-INIZCTEOSA-N -1 0 342.414 3.581 20 0 EHADRM CC(C)(C)[C@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC001181413485 1133483367 /nfs/dbraw/zinc/48/33/67/1133483367.db2.gz PAQMLJXMGWSATP-CYBMUJFWSA-N -1 0 346.254 3.976 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1nccc2cccnc21 ZINC001151055083 1133515617 /nfs/dbraw/zinc/51/56/17/1133515617.db2.gz ODUBTMZHSMRSCB-UHFFFAOYSA-N -1 0 334.162 3.895 20 0 EHADRM CCN1CCCC[C@@H]1C(=O)Nc1cc(Cl)c(C)c(Cl)c1[O-] ZINC001181997172 1133559022 /nfs/dbraw/zinc/55/90/22/1133559022.db2.gz GDKWURIJBFGDLZ-GFCCVEGCSA-N -1 0 331.243 3.820 20 0 EHADRM Cc1nc(Cl)ccc1CC(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000771504187 1133563004 /nfs/dbraw/zinc/56/30/04/1133563004.db2.gz JWQFVLZDTVEJID-UHFFFAOYSA-N -1 0 329.158 3.723 20 0 EHADRM CC(=O)Nc1c(C)cccc1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000771506898 1133568269 /nfs/dbraw/zinc/56/82/69/1133568269.db2.gz XYWNGOXGLNXPOJ-UHFFFAOYSA-N -1 0 336.750 3.704 20 0 EHADRM CN(CCc1ccccc1F)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000772245082 1133665089 /nfs/dbraw/zinc/66/50/89/1133665089.db2.gz HUEMUYCGLSDAGV-UHFFFAOYSA-N -1 0 325.742 3.639 20 0 EHADRM O=C([N-]OC1CCOCC1)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000772584805 1133697325 /nfs/dbraw/zinc/69/73/25/1133697325.db2.gz YBJRBSLEYMJLAM-UHFFFAOYSA-N -1 0 344.238 3.642 20 0 EHADRM COC(=O)C(C)(C)CC(=O)Nc1cc(Cl)c(C)c(Cl)c1[O-] ZINC001182533849 1133698050 /nfs/dbraw/zinc/69/80/50/1133698050.db2.gz ACXCMEHYYXQCKI-UHFFFAOYSA-N -1 0 334.199 3.535 20 0 EHADRM Cc1cccc2c1N(C1CC1)CCN2C(=O)c1cccc(Cl)c1[O-] ZINC000774512122 1133698920 /nfs/dbraw/zinc/69/89/20/1133698920.db2.gz RDOPGGGAXIUFDN-UHFFFAOYSA-N -1 0 342.826 3.983 20 0 EHADRM C[C@](O)(C(=O)Nc1c(Cl)ccc([O-])c1Cl)c1ccccc1 ZINC001182931170 1133752942 /nfs/dbraw/zinc/75/29/42/1133752942.db2.gz BFIYHAHZQBRORM-OAHLLOKOSA-N -1 0 326.179 3.545 20 0 EHADRM O=C(Cc1ccc([S-])cc1)Nc1ccc(O)cc1Br ZINC001183187713 1133776665 /nfs/dbraw/zinc/77/66/65/1133776665.db2.gz CXYYRRYDPCJKJA-UHFFFAOYSA-N -1 0 338.226 3.625 20 0 EHADRM O=C(Cc1ccc([S-])cc1)N[C@@H](c1ccccc1)C(F)(F)F ZINC001183189598 1133776836 /nfs/dbraw/zinc/77/68/36/1133776836.db2.gz KRZMIIMNHHHKBV-HNNXBMFYSA-N -1 0 325.355 3.938 20 0 EHADRM COc1ccc(CNC(=O)Cc2ccc([S-])cc2)c2ccccc12 ZINC001183189435 1133777027 /nfs/dbraw/zinc/77/70/27/1133777027.db2.gz IBIZPPWYOQIQGV-UHFFFAOYSA-N -1 0 337.444 3.996 20 0 EHADRM Cc1cc(=O)n(-c2ccc(N[C@H](c3ccc(F)cc3)C(C)C)nn2)[n-]1 ZINC001170062848 1133888221 /nfs/dbraw/zinc/88/82/21/1133888221.db2.gz DPVLKRYLZMRSEO-SFHVURJKSA-N -1 0 341.390 3.538 20 0 EHADRM CCOC(=O)N(C)c1ccc(NC(=O)c2ccc(CC)cc2O)cc1 ZINC000786822006 1133911071 /nfs/dbraw/zinc/91/10/71/1133911071.db2.gz XPVJIWXXPBRLJN-UHFFFAOYSA-N -1 0 342.395 3.800 20 0 EHADRM O=C(NCC1(c2cccc(F)c2)CCC1)c1c([O-])cc(F)cc1F ZINC001184246524 1133915078 /nfs/dbraw/zinc/91/50/78/1133915078.db2.gz IZKVQQVMNMTTLK-UHFFFAOYSA-N -1 0 335.325 3.661 20 0 EHADRM Cc1ccc2cccc([N-]S(=O)(=O)c3cccnc3Cl)c2c1 ZINC001184879171 1134002261 /nfs/dbraw/zinc/00/22/61/1134002261.db2.gz XMEPGTTUKNPUHZ-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM C[C@H](CNC(=O)c1ccc([O-])c(Cl)c1)c1nc2ccccc2o1 ZINC000746701901 1134027680 /nfs/dbraw/zinc/02/76/80/1134027680.db2.gz OKRJHEHFYIERJX-SNVBAGLBSA-N -1 0 330.771 3.720 20 0 EHADRM COc1cc(Cl)ccc1[N-]S(=O)(=O)Cc1cc(F)cc(F)c1 ZINC001185134026 1134040033 /nfs/dbraw/zinc/04/00/33/1134040033.db2.gz HRLZGELIYPNJPW-UHFFFAOYSA-N -1 0 347.770 3.569 20 0 EHADRM O=C(COc1ccccc1OCc1ccccc1)[N-]OC1CCCC1 ZINC000774876805 1134086653 /nfs/dbraw/zinc/08/66/53/1134086653.db2.gz YDNIXBZGLKYWHS-UHFFFAOYSA-N -1 0 341.407 3.635 20 0 EHADRM O=C(C=C([O-])c1ccccc1Cl)N[C@@H](c1cncc(F)c1)C1CC1 ZINC001185444550 1134086958 /nfs/dbraw/zinc/08/69/58/1134086958.db2.gz YRGXYOLBQYMBDK-GOSISDBHSA-N -1 0 346.789 3.714 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)n(C(C)C)n1 ZINC001185494872 1134097633 /nfs/dbraw/zinc/09/76/33/1134097633.db2.gz TUKBSWJYBSRPKS-UHFFFAOYSA-N -1 0 327.837 3.535 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(C(F)F)nc2)ccc1Cl ZINC001185496692 1134098662 /nfs/dbraw/zinc/09/86/62/1134098662.db2.gz MUXGVFUMPMENBG-UHFFFAOYSA-N -1 0 332.759 3.782 20 0 EHADRM CCOc1c(F)cccc1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1 ZINC001185532434 1134104723 /nfs/dbraw/zinc/10/47/23/1134104723.db2.gz OOMDTPQKJFTRRP-UHFFFAOYSA-N -1 0 343.807 3.987 20 0 EHADRM Cc1ccc(NC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)[O-])c(C)c1 ZINC000788316966 1134112811 /nfs/dbraw/zinc/11/28/11/1134112811.db2.gz DVNMMIVBAQHUIK-HNNXBMFYSA-N -1 0 326.396 3.811 20 0 EHADRM CC(C)COc1cccc(NC(=O)N(C)[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000788320015 1134113773 /nfs/dbraw/zinc/11/37/73/1134113773.db2.gz ZRJMZGMOXMSBGV-INIZCTEOSA-N -1 0 336.432 3.684 20 0 EHADRM CCOC(=O)c1cc2ccccc2cc1[N-]S(=O)(=O)CCC1CC1 ZINC000788498658 1134132764 /nfs/dbraw/zinc/13/27/64/1134132764.db2.gz MPFFAIVAHLTEJS-UHFFFAOYSA-N -1 0 347.436 3.558 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)Nc1c([S-])cccc1Cl ZINC001185837098 1134138907 /nfs/dbraw/zinc/13/89/07/1134138907.db2.gz VHMPKCYOTSSBHE-UHFFFAOYSA-N -1 0 331.821 3.877 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(F)c2cccnc12 ZINC001185836484 1134139368 /nfs/dbraw/zinc/13/93/68/1134139368.db2.gz NYNJDSSNWWHRJP-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccccc1-c1ccccn1 ZINC001185824652 1134142219 /nfs/dbraw/zinc/14/22/19/1134142219.db2.gz AMFLQWHXJYGAIX-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2onc(C3CC3)c2Cl)s1 ZINC001185920246 1134151181 /nfs/dbraw/zinc/15/11/81/1134151181.db2.gz VKFQGGFZYUDHGL-MRVPVSSYSA-N -1 0 346.861 3.615 20 0 EHADRM O=C(NCCc1ccccc1C(F)(F)F)c1cccc([S-])c1 ZINC001186162504 1134172169 /nfs/dbraw/zinc/17/21/69/1134172169.db2.gz AYESGAQYNDFYBF-UHFFFAOYSA-N -1 0 325.355 3.967 20 0 EHADRM CC(C)(C)OC(=O)[C@@H](NC(=O)c1cccc([S-])c1)c1ccccc1 ZINC001186131880 1134173020 /nfs/dbraw/zinc/17/30/20/1134173020.db2.gz MTSCBTHWBQCXJJ-INIZCTEOSA-N -1 0 343.448 3.788 20 0 EHADRM COc1ccccc1CNC(=O)Nc1ccc2[n-]c(=S)sc2c1 ZINC001186135360 1134174048 /nfs/dbraw/zinc/17/40/48/1134174048.db2.gz IFWLTMAIHRVGQR-UHFFFAOYSA-N -1 0 345.449 3.915 20 0 EHADRM CCOC(=O)c1sc(NC(=O)c2cccc([S-])c2)nc1C1CC1 ZINC001186140626 1134174155 /nfs/dbraw/zinc/17/41/55/1134174155.db2.gz IRBGPGBOLWFJRH-UHFFFAOYSA-N -1 0 348.449 3.738 20 0 EHADRM CCOC(=O)c1ccc(OCC)cc1NC(=O)c1cccc([S-])c1 ZINC001186152155 1134176070 /nfs/dbraw/zinc/17/60/70/1134176070.db2.gz DJZNKAIFVLKNCR-UHFFFAOYSA-N -1 0 345.420 3.803 20 0 EHADRM O=C(Nc1ccc(OC2CCOCC2)cc1)c1cccc([S-])c1 ZINC001186152556 1134176182 /nfs/dbraw/zinc/17/61/82/1134176182.db2.gz NKSQFVXSEPUBQN-UHFFFAOYSA-N -1 0 329.421 3.785 20 0 EHADRM O=C(NCCCc1nc2cc(Cl)ccc2[nH]1)c1cccc([S-])c1 ZINC001186157342 1134176845 /nfs/dbraw/zinc/17/68/45/1134176845.db2.gz YOEZGJDEYFMXMZ-UHFFFAOYSA-N -1 0 345.855 3.868 20 0 EHADRM CC(=O)c1cccc(O)c1NC(=O)Cc1c(C)nc2ccccc2c1C ZINC001186272123 1134191034 /nfs/dbraw/zinc/19/10/34/1134191034.db2.gz FIRWBFKEJKCBFM-UHFFFAOYSA-N -1 0 348.402 3.941 20 0 EHADRM CC[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1ccc(F)c(F)c1 ZINC001186802183 1134254326 /nfs/dbraw/zinc/25/43/26/1134254326.db2.gz QRMIJKJQQBZTSH-GFCCVEGCSA-N -1 0 345.267 3.969 20 0 EHADRM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1Cl)c1ccco1 ZINC001186851516 1134260240 /nfs/dbraw/zinc/26/02/40/1134260240.db2.gz ABUBXNWODSNGER-UHFFFAOYSA-N -1 0 325.695 3.753 20 0 EHADRM O=S(=O)([N-]c1cnc2occc2c1)c1cc2c(s1)CCCC2 ZINC001187189284 1134307312 /nfs/dbraw/zinc/30/73/12/1134307312.db2.gz VRHPETYCPBRRJR-UHFFFAOYSA-N -1 0 334.422 3.569 20 0 EHADRM COc1cc(F)cc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)c1 ZINC001187215855 1134316348 /nfs/dbraw/zinc/31/63/48/1134316348.db2.gz YFHHMNCARWJSMX-UHFFFAOYSA-N -1 0 341.429 3.575 20 0 EHADRM O=S(=O)(CCc1cccc2ccccc21)Nc1ccccc1O ZINC001187641441 1134360784 /nfs/dbraw/zinc/36/07/84/1134360784.db2.gz GATFBGYFRBGBOE-UHFFFAOYSA-N -1 0 327.405 3.530 20 0 EHADRM Cc1ccc(O)c(NS(=O)(=O)CCc2cccc3ccccc32)c1 ZINC001187641511 1134361384 /nfs/dbraw/zinc/36/13/84/1134361384.db2.gz JKNBGDYOBJBWIH-UHFFFAOYSA-N -1 0 341.432 3.838 20 0 EHADRM CSc1cccc(NC(=O)Nc2cc(=O)n(-c3ccccc3)[nH]2)c1 ZINC001188024439 1134418654 /nfs/dbraw/zinc/41/86/54/1134418654.db2.gz WFYTVDBYWZNIEY-UHFFFAOYSA-N -1 0 340.408 3.944 20 0 EHADRM O=S(=O)([N-][C@H](c1ccc(F)cc1)C(F)(F)F)C1CCCCC1 ZINC000790650428 1134451733 /nfs/dbraw/zinc/45/17/33/1134451733.db2.gz IQFRCNSIRRIMAN-CYBMUJFWSA-N -1 0 339.354 3.681 20 0 EHADRM O=C(c1ccc([O-])c(C(F)(F)F)c1)N1CCC(OC2CCC2)CC1 ZINC001188572120 1134479511 /nfs/dbraw/zinc/47/95/11/1134479511.db2.gz LCKFUDRSEHOUOG-UHFFFAOYSA-N -1 0 343.345 3.585 20 0 EHADRM O=C(Nc1ccc2[nH][nH]c(=O)c2c1)c1ccc(Oc2cccnc2)cc1 ZINC001188620243 1134489095 /nfs/dbraw/zinc/48/90/95/1134489095.db2.gz YEPRNHJDYVUTNQ-UHFFFAOYSA-N -1 0 346.346 3.708 20 0 EHADRM O=C(Nc1cc(-c2ccccc2)cc(Cl)n1)c1ccncc1[O-] ZINC001188628754 1134490971 /nfs/dbraw/zinc/49/09/71/1134490971.db2.gz KJCMPMZZVMJXQZ-UHFFFAOYSA-N -1 0 325.755 3.755 20 0 EHADRM O=S(=O)([N-]c1ccnc(F)c1)c1ccc2oc3ccccc3c2c1 ZINC001188802787 1134510246 /nfs/dbraw/zinc/51/02/46/1134510246.db2.gz FYDMRUKFOIAGNO-UHFFFAOYSA-N -1 0 342.351 3.921 20 0 EHADRM CC(C)[C@H](OC(=O)c1c(F)cc([O-])cc1F)C(=O)c1ccccc1 ZINC000746983674 1134511634 /nfs/dbraw/zinc/51/16/34/1134511634.db2.gz ARSFKRXLBWCQRN-KRWDZBQOSA-N -1 0 334.318 3.735 20 0 EHADRM Cc1cc(COC(=O)c2c(F)cc([O-])cc2F)c2ccccc2n1 ZINC000746987993 1134518587 /nfs/dbraw/zinc/51/85/87/1134518587.db2.gz UNOBUNMHEIYDHS-UHFFFAOYSA-N -1 0 329.302 3.884 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)cc(Cl)n2)c1 ZINC001189577377 1134602608 /nfs/dbraw/zinc/60/26/08/1134602608.db2.gz QFSSWHKUDMDWQO-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CC[C@@H](C)c1ccc(NC(=O)c2ccccc2S(=O)(=O)[O-])cc1 ZINC001189669073 1134609117 /nfs/dbraw/zinc/60/91/17/1134609117.db2.gz VSTIPPTWDSHPIZ-GFCCVEGCSA-N -1 0 333.409 3.699 20 0 EHADRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000775297998 1134617003 /nfs/dbraw/zinc/61/70/03/1134617003.db2.gz YYXAUVVEWXDTFC-UHFFFAOYSA-N -1 0 332.208 3.803 20 0 EHADRM CC(C)c1ccc([C@@H](C)NC(=O)c2ccccc2S(=O)(=O)[O-])cc1 ZINC001189704159 1134617748 /nfs/dbraw/zinc/61/77/48/1134617748.db2.gz USAGNRWKWBMERT-CYBMUJFWSA-N -1 0 347.436 3.548 20 0 EHADRM COc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccsc1 ZINC001190224172 1134668427 /nfs/dbraw/zinc/66/84/27/1134668427.db2.gz WSQFVNRMMQGODY-UHFFFAOYSA-N -1 0 337.344 3.576 20 0 EHADRM Cc1cc2ccccc2cc1[N-]S(=O)(=O)c1ncc(F)cc1F ZINC001190194809 1134670287 /nfs/dbraw/zinc/67/02/87/1134670287.db2.gz UCXALGDJWXZUJQ-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM C[C@H](Oc1ccc2ccccc2c1)C(=O)[N-]OCCC(F)(F)F ZINC000792337983 1134683220 /nfs/dbraw/zinc/68/32/20/1134683220.db2.gz IAMWGSCDQUYSIG-NSHDSACASA-N -1 0 327.302 3.607 20 0 EHADRM CC(=O)c1cccc(NS(=O)(=O)c2ccc(C3CC3)cc2)c1C ZINC001190507332 1134707525 /nfs/dbraw/zinc/70/75/25/1134707525.db2.gz SDRUDVFSRUGYGM-UHFFFAOYSA-N -1 0 329.421 3.876 20 0 EHADRM CSc1ncc(C(=O)Nc2c(Cl)ccc([O-])c2Cl)c(C)n1 ZINC001190516049 1134710316 /nfs/dbraw/zinc/71/03/16/1134710316.db2.gz VEACKQAOUBSWSD-UHFFFAOYSA-N -1 0 344.223 3.772 20 0 EHADRM O=S(=O)([N-]c1ccc(Oc2ccccc2Cl)cc1)c1ncc[nH]1 ZINC001190720989 1134742305 /nfs/dbraw/zinc/74/23/05/1134742305.db2.gz AATBYZTUOPEYBE-UHFFFAOYSA-N -1 0 349.799 3.656 20 0 EHADRM O=S(=O)([N-][C@@H](c1ccc(F)cc1)C(F)(F)F)C1CCCCC1 ZINC000792664602 1134761473 /nfs/dbraw/zinc/76/14/73/1134761473.db2.gz IQFRCNSIRRIMAN-ZDUSSCGKSA-N -1 0 339.354 3.681 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)ccc1C ZINC001191185866 1134822476 /nfs/dbraw/zinc/82/24/76/1134822476.db2.gz DNLDGWFLBBJSSO-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2O)cc1 ZINC001191253293 1134824878 /nfs/dbraw/zinc/82/48/78/1134824878.db2.gz LSLREXYIXFCPMM-UHFFFAOYSA-N -1 0 341.379 3.814 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cccc3snnc32)cc1 ZINC001191252515 1134825158 /nfs/dbraw/zinc/82/51/58/1134825158.db2.gz CWYSYTSMSUUVLV-UHFFFAOYSA-N -1 0 347.465 3.835 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)no2)cc1 ZINC001191225172 1134830259 /nfs/dbraw/zinc/83/02/59/1134830259.db2.gz QVUMGHHHMJVHOB-UHFFFAOYSA-N -1 0 348.346 3.837 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cn(CC3CCC3)cn2)cc1 ZINC001191232316 1134832083 /nfs/dbraw/zinc/83/20/83/1134832083.db2.gz FJLOEBCDNYAUCF-UHFFFAOYSA-N -1 0 347.484 3.827 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2snc3cccnc32)cc1 ZINC001191233297 1134832233 /nfs/dbraw/zinc/83/22/33/1134832233.db2.gz RUAASGRWZTUKEY-UHFFFAOYSA-N -1 0 347.465 3.835 20 0 EHADRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cc(C)ccc1O ZINC001191696058 1134908740 /nfs/dbraw/zinc/90/87/40/1134908740.db2.gz APKGDQLKICDRTJ-UHFFFAOYSA-N -1 0 335.425 3.633 20 0 EHADRM CCc1cccc(CC)c1NC(=O)c1nc(Br)ccc1[O-] ZINC001191742588 1134916390 /nfs/dbraw/zinc/91/63/90/1134916390.db2.gz SRSGSJQAGMDJSX-UHFFFAOYSA-N -1 0 349.228 3.927 20 0 EHADRM Cc1c(=O)[n-]n(-c2ccccc2)c1NC(=O)N[C@H]1CC[C@H](C)CC1 ZINC001191851624 1134927610 /nfs/dbraw/zinc/92/76/10/1134927610.db2.gz CKNOOAXOFSXVMO-MQMHXKEQSA-N -1 0 328.416 3.587 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cccc2oc(C)nc21 ZINC001191821006 1134930169 /nfs/dbraw/zinc/93/01/69/1134930169.db2.gz CJOIMHNQNYRUAK-UHFFFAOYSA-N -1 0 346.408 3.644 20 0 EHADRM C[C@H]1CC[C@H](NC(=O)Nc2ccc(F)c(Br)c2[O-])CC1 ZINC001191825222 1134931654 /nfs/dbraw/zinc/93/16/54/1134931654.db2.gz BAEQANFEBRHCEA-KYZUINATSA-N -1 0 345.212 3.994 20 0 EHADRM CC(C)(C)c1ccc(C(=O)Nc2cc(Cl)nc3ccnn32)c(O)c1 ZINC001192313766 1134997372 /nfs/dbraw/zinc/99/73/72/1134997372.db2.gz IGDROZDGJZOTCH-UHFFFAOYSA-N -1 0 344.802 3.638 20 0 EHADRM Cc1c(Br)ccc(N)c1Nc1ccc(C(=O)[O-])cc1F ZINC001203292483 1134998247 /nfs/dbraw/zinc/99/82/47/1134998247.db2.gz OLHVTRHYYSKSAA-UHFFFAOYSA-N -1 0 339.164 3.921 20 0 EHADRM CC[C@H](C)CCC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000796741652 1135011313 /nfs/dbraw/zinc/01/13/13/1135011313.db2.gz GADCNFPLDSIJLV-VIFPVBQESA-N -1 0 338.256 3.625 20 0 EHADRM O=C([N-]c1c(Cl)cnnc1Cl)c1nc(C(F)(F)F)cs1 ZINC001192450094 1135020752 /nfs/dbraw/zinc/02/07/52/1135020752.db2.gz OPYDCUHPLGOALR-UHFFFAOYSA-N -1 0 343.117 3.511 20 0 EHADRM COc1ccc(-n2cccc2)c(NC(=O)c2c(F)ccc(F)c2[O-])c1 ZINC001192705916 1135050173 /nfs/dbraw/zinc/05/01/73/1135050173.db2.gz FSTBRVOHPJBZGX-UHFFFAOYSA-N -1 0 344.317 3.722 20 0 EHADRM O=C(NCC1(c2ccc(Cl)cc2)CC1)c1c(F)ccc(F)c1[O-] ZINC001192719513 1135051122 /nfs/dbraw/zinc/05/11/22/1135051122.db2.gz KTSKLWFLJBBANG-UHFFFAOYSA-N -1 0 337.753 3.785 20 0 EHADRM CCN(C(=O)c1ccc([O-])c(F)c1F)[C@H](C)Cc1ccc(OC)cc1 ZINC001192826492 1135059902 /nfs/dbraw/zinc/05/99/02/1135059902.db2.gz AWSYOEHMLPWLCG-GFCCVEGCSA-N -1 0 349.377 3.772 20 0 EHADRM CCN(Cc1cccc(F)c1F)C(=O)c1cc(F)c([O-])cc1F ZINC001192872227 1135062432 /nfs/dbraw/zinc/06/24/32/1135062432.db2.gz IOHBYBGIHHSUIP-UHFFFAOYSA-N -1 0 327.277 3.611 20 0 EHADRM O=S(=O)([N-]c1cc(C2CCCCC2)no1)c1cnccc1Cl ZINC001192856578 1135066953 /nfs/dbraw/zinc/06/69/53/1135066953.db2.gz YIRHIXCMCCESHH-UHFFFAOYSA-N -1 0 341.820 3.572 20 0 EHADRM CCc1cc2c(cc1CC)CC(NC(=O)c1cc(F)c([O-])cc1F)C2 ZINC001192887627 1135068057 /nfs/dbraw/zinc/06/80/57/1135068057.db2.gz LJEKTPYFARYIJF-UHFFFAOYSA-N -1 0 345.389 3.692 20 0 EHADRM O=C(NCC1(Cc2ccccc2F)CC1)c1cc(F)c([O-])cc1F ZINC001192888258 1135068555 /nfs/dbraw/zinc/06/85/55/1135068555.db2.gz UIFASWKFVPJKGL-UHFFFAOYSA-N -1 0 335.325 3.562 20 0 EHADRM O=S(=O)([N-]c1cccc(-c2ccncc2)c1)c1cnccc1Cl ZINC001192893766 1135069544 /nfs/dbraw/zinc/06/95/44/1135069544.db2.gz HBGKQMROSCDEGD-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM O=C(N[C@@H](c1ccccc1)c1ccncc1)c1cc(F)c([O-])cc1F ZINC001192879918 1135074450 /nfs/dbraw/zinc/07/44/50/1135074450.db2.gz RRAZCIICVQKNQC-SFHVURJKSA-N -1 0 340.329 3.585 20 0 EHADRM O=C(Nc1ccc(S(=O)(=O)[O-])c2ccccc12)OC1CCCC1 ZINC001193562667 1135152809 /nfs/dbraw/zinc/15/28/09/1135152809.db2.gz LOJKAKZAEGTRII-UHFFFAOYSA-N -1 0 335.381 3.578 20 0 EHADRM O=C(Nc1ccc2c(cccc2S(=O)(=O)[O-])c1)OC1CCCC1 ZINC001193562644 1135153351 /nfs/dbraw/zinc/15/33/51/1135153351.db2.gz KEZVWDRFBQRDAG-UHFFFAOYSA-N -1 0 335.381 3.578 20 0 EHADRM O=C(Nc1cnc(Cl)c(C(F)(F)F)c1)c1cccc(F)c1[O-] ZINC001129854279 1135172265 /nfs/dbraw/zinc/17/22/65/1135172265.db2.gz PNXVJTJPRXUSSS-UHFFFAOYSA-N -1 0 334.656 3.851 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)sc2c1)c1ccc(F)c([O-])c1F ZINC001193783441 1135179824 /nfs/dbraw/zinc/17/98/24/1135179824.db2.gz BABHHEGLPJAMRB-UHFFFAOYSA-N -1 0 338.360 3.821 20 0 EHADRM O=C(NCCc1ccccc1C(F)(F)F)c1ccc(F)c([O-])c1F ZINC001193793014 1135181177 /nfs/dbraw/zinc/18/11/77/1135181177.db2.gz IKHFRUFMFBCKNA-UHFFFAOYSA-N -1 0 345.267 3.662 20 0 EHADRM CCOc1cc([N-]S(=O)(=O)c2ccc(C)c3ccccc32)ccn1 ZINC001193833636 1135190740 /nfs/dbraw/zinc/19/07/40/1135190740.db2.gz PIVYICVTCYPGJK-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc3cnncc32)c2ccccc12 ZINC001193857652 1135196679 /nfs/dbraw/zinc/19/66/79/1135196679.db2.gz OAECDAPTRWDBIN-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM Cc1cc(O)cnc1[N-]S(=O)(=O)c1ccc2c(Cl)cccc2c1 ZINC001194215857 1135245263 /nfs/dbraw/zinc/24/52/63/1135245263.db2.gz IWLRPIKUUAKBTD-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM CCC1(NC(=O)c2c(C)[n-]n(-c3ccccc3)c2=O)CCCCC1 ZINC001194277473 1135247993 /nfs/dbraw/zinc/24/79/93/1135247993.db2.gz OCTMXZRCXFVLSW-UHFFFAOYSA-N -1 0 327.428 3.729 20 0 EHADRM COc1cc(C(=O)Nc2cc(Cl)c([O-])cc2F)cc(Cl)c1O ZINC000805255738 1135254056 /nfs/dbraw/zinc/25/40/56/1135254056.db2.gz XLYWUHKEVSVHAU-UHFFFAOYSA-N -1 0 346.141 3.805 20 0 EHADRM Cc1noc(C)c1[N-]S(=O)(=O)c1cccc2c(Cl)cccc21 ZINC001194410532 1135265901 /nfs/dbraw/zinc/26/59/01/1135265901.db2.gz CUQPBIIFGVPTDI-UHFFFAOYSA-N -1 0 336.800 3.899 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2ncccc2C(F)(F)F)c1C ZINC001194524527 1135281224 /nfs/dbraw/zinc/28/12/24/1135281224.db2.gz SINFLTFQXDBSLP-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM CC(C)Cn1[n-]c(CC(=O)Oc2cccc(C3CCCC3)c2)cc1=O ZINC001130275362 1135295271 /nfs/dbraw/zinc/29/52/71/1135295271.db2.gz FGQGKKJNPFVLGF-UHFFFAOYSA-N -1 0 342.439 3.638 20 0 EHADRM O=C([O-])c1ccc(Nc2c(F)cccc2OC2CCOCC2)c(F)c1 ZINC001203298607 1135339975 /nfs/dbraw/zinc/33/99/75/1135339975.db2.gz BNGFFSKAHXBSKI-UHFFFAOYSA-N -1 0 349.333 3.964 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cc(Cl)c3nccn3c2)c1 ZINC001195120161 1135372222 /nfs/dbraw/zinc/37/22/22/1135372222.db2.gz LBJSCGDVLFMQOB-UHFFFAOYSA-N -1 0 349.843 3.912 20 0 EHADRM CC(=O)c1cc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cnc1C ZINC001195120199 1135372408 /nfs/dbraw/zinc/37/24/08/1135372408.db2.gz FCHJYWDKDLHABB-UHFFFAOYSA-N -1 0 332.425 3.517 20 0 EHADRM CC(C)c1ccc(C2(C(=O)[N-]S(=O)(=O)C3(C)CC3)CCCC2)cc1 ZINC000806026288 1135375173 /nfs/dbraw/zinc/37/51/73/1135375173.db2.gz VOEIOZWYDQJNJX-UHFFFAOYSA-N -1 0 349.496 3.620 20 0 EHADRM COc1c(F)cccc1[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC001195267285 1135401685 /nfs/dbraw/zinc/40/16/85/1135401685.db2.gz AINVQHOSHYYAIP-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM O=S(=O)(N[C@H]1CCC[C@@H](c2ccccc2)CC1)c1ccccc1[O-] ZINC001195398523 1135418169 /nfs/dbraw/zinc/41/81/69/1135418169.db2.gz VGBUVPVAERXQIK-SJORKVTESA-N -1 0 345.464 3.787 20 0 EHADRM Cc1ccc(-c2nnco2)cc1NC(=O)c1cccc(Cl)c1[O-] ZINC000775663306 1135438377 /nfs/dbraw/zinc/43/83/77/1135438377.db2.gz LWYWBMHOJUVZJX-UHFFFAOYSA-N -1 0 329.743 3.656 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cccc3cccc(Cl)c32)cn1 ZINC001195731412 1135455930 /nfs/dbraw/zinc/45/59/30/1135455930.db2.gz HCXCUXGTDSZIRX-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM C[C@@H]1CN(C(=O)c2cccc(Cl)c2[O-])C[C@H](c2ccccc2)O1 ZINC000775673263 1135475574 /nfs/dbraw/zinc/47/55/74/1135475574.db2.gz XVCLHNGNHFVUHV-MLGOLLRUSA-N -1 0 331.799 3.648 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)cc1C ZINC000775678444 1135503536 /nfs/dbraw/zinc/50/35/36/1135503536.db2.gz DJYWATCIQLDEEU-ZDUSSCGKSA-N -1 0 345.468 3.892 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2cccnc2)cc1)c1ccc(Cl)cn1 ZINC001196243931 1135539979 /nfs/dbraw/zinc/53/99/79/1135539979.db2.gz CDWAFWZJEOYABW-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM CC(C)(C)n1ccc(C(=O)Nc2ccc3[n-]c(=S)sc3c2)n1 ZINC001196321931 1135545478 /nfs/dbraw/zinc/54/54/78/1135545478.db2.gz DHRRDCDZNJWDHA-UHFFFAOYSA-N -1 0 332.454 3.789 20 0 EHADRM Cc1nn(-c2ccccc2)c(NC(=O)c2cccc(F)c2[O-])c1Cl ZINC001130970528 1135549118 /nfs/dbraw/zinc/54/91/18/1135549118.db2.gz ADQDBKQPNIGOBR-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2c(O)ccc3ccccc32)c(F)c1 ZINC001196382554 1135553025 /nfs/dbraw/zinc/55/30/25/1135553025.db2.gz GBBIBDXEFVRZPF-UHFFFAOYSA-N -1 0 331.368 3.794 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OC(C)C)c(F)c1 ZINC001196387070 1135553977 /nfs/dbraw/zinc/55/39/77/1135553977.db2.gz JRWBGNARIYBENP-UHFFFAOYSA-N -1 0 341.379 3.861 20 0 EHADRM CCn1nccc1[N-]S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC001196411668 1135560396 /nfs/dbraw/zinc/56/03/96/1135560396.db2.gz FGPWUHFQFIYNRF-UHFFFAOYSA-N -1 0 335.816 3.510 20 0 EHADRM C[C@H](NC(=O)c1cc(Cl)c(F)cc1[O-])c1nc2ccccc2[nH]1 ZINC001196468443 1135564937 /nfs/dbraw/zinc/56/49/37/1135564937.db2.gz ZZHRVUVEKAYVOH-QMMMGPOBSA-N -1 0 333.750 3.552 20 0 EHADRM CC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000808110926 1135618756 /nfs/dbraw/zinc/61/87/56/1135618756.db2.gz JYLGSURWFUPLLD-UHFFFAOYSA-N -1 0 339.363 3.936 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC[C@H](c2ccncc2)C1 ZINC000808134993 1135620971 /nfs/dbraw/zinc/62/09/71/1135620971.db2.gz PHGGZWBXMVNYKC-AWEZNQCLSA-N -1 0 339.420 3.531 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2c(Cl)ccnc2Cl)cc1 ZINC001197075385 1135647349 /nfs/dbraw/zinc/64/73/49/1135647349.db2.gz LVISQTVJZYGVCL-UHFFFAOYSA-N -1 0 342.207 3.896 20 0 EHADRM Cc1ccc(C(C)(C)NC(=S)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001197130474 1135648112 /nfs/dbraw/zinc/64/81/12/1135648112.db2.gz MQUNUUQGIHCQAZ-UHFFFAOYSA-N -1 0 328.437 3.915 20 0 EHADRM CC[C@@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)c1cccc(OC)c1 ZINC001197136697 1135648649 /nfs/dbraw/zinc/64/86/49/1135648649.db2.gz JJEKYRZAIFGDSQ-MRXNPFEDSA-N -1 0 344.436 3.831 20 0 EHADRM O=C(NCc1coc(-c2ccccc2)n1)c1cccc(Cl)c1[O-] ZINC000775758737 1135652003 /nfs/dbraw/zinc/65/20/03/1135652003.db2.gz VTLTUUCJVXWGBJ-UHFFFAOYSA-N -1 0 328.755 3.631 20 0 EHADRM Cc1cncc([C@@H](NC(=S)Nc2ccc(C(=O)[O-])cc2)C2CC2)c1 ZINC001197146717 1135653957 /nfs/dbraw/zinc/65/39/57/1135653957.db2.gz CQUIYKAEXKWVRY-INIZCTEOSA-N -1 0 341.436 3.526 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NC2CCc3ccccc3CC2)cc1 ZINC001197147951 1135654063 /nfs/dbraw/zinc/65/40/63/1135654063.db2.gz PMSPUWQPSIQOKR-UHFFFAOYSA-N -1 0 340.448 3.619 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCN(CC2CC2)c2ccccc21 ZINC000775764934 1135667678 /nfs/dbraw/zinc/66/76/78/1135667678.db2.gz WETBGOBAGYTUAH-UHFFFAOYSA-N -1 0 342.826 3.922 20 0 EHADRM C[C@H]1CN(C(=O)c2cccc(Cl)c2[O-])C[C@H](c2ccsc2)O1 ZINC000775772522 1135686613 /nfs/dbraw/zinc/68/66/13/1135686613.db2.gz FPBRTJNPSYNWSJ-IINYFYTJSA-N -1 0 337.828 3.709 20 0 EHADRM O=C([O-])c1nnc(-c2cc(F)c(Cl)cc2F)cc1C(F)(F)F ZINC001244301747 1135699894 /nfs/dbraw/zinc/69/98/94/1135699894.db2.gz UWWISGYDYDOLTL-UHFFFAOYSA-N -1 0 338.619 3.792 20 0 EHADRM COc1cc(CN(C(=O)c2cccc(Cl)c2[O-])C2CC2)ccc1O ZINC000775779549 1135713739 /nfs/dbraw/zinc/71/37/39/1135713739.db2.gz BJAYTNLZWDEURW-UHFFFAOYSA-N -1 0 347.798 3.565 20 0 EHADRM Cc1cncc2cccc(NS(=O)(=O)Cc3c(F)cccc3F)c12 ZINC001197602618 1135713773 /nfs/dbraw/zinc/71/37/73/1135713773.db2.gz CULDMKUTZXZIJT-UHFFFAOYSA-N -1 0 348.374 3.763 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)c1 ZINC001198000556 1135759969 /nfs/dbraw/zinc/75/99/69/1135759969.db2.gz ZZUCPTBEHJTQRL-UHFFFAOYSA-N -1 0 340.404 3.983 20 0 EHADRM O=S(=O)([N-]c1ccc(F)c(C2CC2)c1)c1cccc(Cl)n1 ZINC001198241354 1135791123 /nfs/dbraw/zinc/79/11/23/1135791123.db2.gz DVFDLPQDCCBNEU-UHFFFAOYSA-N -1 0 326.780 3.552 20 0 EHADRM Cc1cc(Br)ccc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000016478743 1135828192 /nfs/dbraw/zinc/82/81/92/1135828192.db2.gz VIXKNZGSFWOBOP-UHFFFAOYSA-N -1 0 328.206 3.587 20 0 EHADRM O=S(=O)([N-]c1cncc(C2CCC2)c1)c1ccc2occc2c1 ZINC001198828882 1135856963 /nfs/dbraw/zinc/85/69/63/1135856963.db2.gz KMWTZXJBUIRBJI-UHFFFAOYSA-N -1 0 328.393 3.896 20 0 EHADRM O=S(=O)([N-]c1cccc(C(F)(F)F)n1)c1ccc2occc2c1 ZINC001198817544 1135859467 /nfs/dbraw/zinc/85/94/67/1135859467.db2.gz FKTYYMXHPIZXPJ-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM O=C(CCCC1CC1)Nc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC001131875663 1135889567 /nfs/dbraw/zinc/88/95/67/1135889567.db2.gz AVFXNHZOZMUIEA-UHFFFAOYSA-N -1 0 346.324 3.523 20 0 EHADRM CC[C@H](CC(=O)[N-]S(=O)(=O)c1ccccc1F)c1ccc(C)cc1 ZINC000121538463 1135913318 /nfs/dbraw/zinc/91/33/18/1135913318.db2.gz IJKZVXAEFDRXCE-CQSZACIVSA-N -1 0 349.427 3.523 20 0 EHADRM Cc1nc(-c2ccc(CN=c3nc(C(C)(C)C)o[n-]3)s2)cs1 ZINC000543694182 1135949562 /nfs/dbraw/zinc/94/95/62/1135949562.db2.gz MVPKQEPBWFOYML-UHFFFAOYSA-N -1 0 334.470 3.895 20 0 EHADRM CCC(CC)CS(=O)(=O)[N-]C(=O)[C@@H](C)CCCc1ccccc1 ZINC000776087764 1135952364 /nfs/dbraw/zinc/95/23/64/1135952364.db2.gz AMWIZLUAZWYVGB-HNNXBMFYSA-N -1 0 339.501 3.528 20 0 EHADRM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC001149040699 1135954114 /nfs/dbraw/zinc/95/41/14/1135954114.db2.gz ANGGVIORQBMQQI-HIFRSBDPSA-N -1 0 327.428 3.523 20 0 EHADRM CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)[N-]OC/C=C/Cl ZINC000810498741 1135966364 /nfs/dbraw/zinc/96/63/64/1135966364.db2.gz LHBTUGRWOLBMSL-RMKNXTFCSA-N -1 0 338.835 3.672 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cnnc(-c2ccccc2)c1 ZINC000810559700 1135972697 /nfs/dbraw/zinc/97/26/97/1135972697.db2.gz ZJDJRPVNYMAOEK-UHFFFAOYSA-N -1 0 348.387 3.826 20 0 EHADRM O=S(=O)([N-]c1ncc(F)s1)c1cc(Cl)c(Cl)cc1F ZINC001201246598 1135998651 /nfs/dbraw/zinc/99/86/51/1135998651.db2.gz JANOWNFPTZOIRJ-UHFFFAOYSA-N -1 0 345.179 3.529 20 0 EHADRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2noc3cnccc23)c(C)c1C ZINC001201792540 1136063036 /nfs/dbraw/zinc/06/30/36/1136063036.db2.gz JWUZWWCYBHVZSE-UHFFFAOYSA-N -1 0 345.424 3.566 20 0 EHADRM Cc1c(=O)[n-]n(-c2ccccc2)c1NC(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC001201943399 1136076826 /nfs/dbraw/zinc/07/68/26/1136076826.db2.gz GQEXNGBTXUVMPV-DLBZAZTESA-N -1 0 348.406 3.564 20 0 EHADRM CC(C)OCc1cc(NC(=O)c2ccc(Cl)cc2[O-])ccc1O ZINC000811593102 1136109036 /nfs/dbraw/zinc/10/90/36/1136109036.db2.gz AOEORBOHUNCJOU-UHFFFAOYSA-N -1 0 335.787 3.929 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CC[C@]2(C1)CCc1ccccc1O2 ZINC000811607034 1136111821 /nfs/dbraw/zinc/11/18/21/1136111821.db2.gz BUXMZFQBVOKRSF-IBGZPJMESA-N -1 0 343.810 3.656 20 0 EHADRM Cc1c(Cl)nccc1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000811836522 1136142945 /nfs/dbraw/zinc/14/29/45/1136142945.db2.gz ZPMMNKOBELVSNB-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM Cc1cccc(O[C@H](C)CNC(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000811819593 1136145045 /nfs/dbraw/zinc/14/50/45/1136145045.db2.gz TXXOYFUHYJAIGJ-GFCCVEGCSA-N -1 0 347.798 3.544 20 0 EHADRM Cc1c(Cl)cc(NC(=O)NC(=O)c2ccccc2)c([O-])c1Cl ZINC001202457359 1136146144 /nfs/dbraw/zinc/14/61/44/1136146144.db2.gz YGLKYBZWWJNOGG-UHFFFAOYSA-N -1 0 339.178 3.969 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(N(C)C(C)C)c(F)c2)c(C)o1 ZINC000776300955 1136149212 /nfs/dbraw/zinc/14/92/12/1136149212.db2.gz OLLMHKUBLZYVFW-UHFFFAOYSA-N -1 0 340.420 3.681 20 0 EHADRM CC(C)OCCO[N-]C(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC000812809584 1136254998 /nfs/dbraw/zinc/25/49/98/1136254998.db2.gz CLFVHDLTNRTIMF-UHFFFAOYSA-N -1 0 327.380 3.601 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]C(=O)C2CCC3(CC3)CC2)c1 ZINC000850906187 1136317122 /nfs/dbraw/zinc/31/71/22/1136317122.db2.gz GPLCTYLTCRFJMC-UHFFFAOYSA-N -1 0 335.469 3.585 20 0 EHADRM O=C([N-]S(=O)(=O)c1cccc2ccccc21)C1CCC2(CC2)CC1 ZINC000850973472 1136324189 /nfs/dbraw/zinc/32/41/89/1136324189.db2.gz UTNCFRXGXXRLLM-UHFFFAOYSA-N -1 0 343.448 3.615 20 0 EHADRM O=C([N-]S(=O)(=O)c1cccc2ccccc21)[C@@H]1CCCC2(CC2)C1 ZINC000850972606 1136324397 /nfs/dbraw/zinc/32/43/97/1136324397.db2.gz BPGHKTKSKXLNHX-OAHLLOKOSA-N -1 0 343.448 3.615 20 0 EHADRM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C)C1 ZINC000776509854 1136328473 /nfs/dbraw/zinc/32/84/73/1136328473.db2.gz GNJYKUQDIDHIJY-GXTWGEPZSA-N -1 0 337.485 3.534 20 0 EHADRM O=C(Nc1ccc(CO)c(Cl)c1)c1ccc2[n-]c(=S)oc2c1 ZINC000776520393 1136363244 /nfs/dbraw/zinc/36/32/44/1136363244.db2.gz MOOGOSTYBADPOS-UHFFFAOYSA-N -1 0 334.784 3.515 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000814015435 1136386527 /nfs/dbraw/zinc/38/65/27/1136386527.db2.gz FLOAVCSXLUBAGL-CVEARBPZSA-N -1 0 337.485 3.800 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@H]1CCCC[C@H]1C ZINC000814016399 1136386648 /nfs/dbraw/zinc/38/66/48/1136386648.db2.gz PAAVVSISQBPJRA-DJIMGWMZSA-N -1 0 337.485 3.800 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCCC1CCCC1 ZINC000814015418 1136386857 /nfs/dbraw/zinc/38/68/57/1136386857.db2.gz FGZZQKPPDRBGGX-KRWDZBQOSA-N -1 0 337.485 3.944 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(Cl)s1 ZINC000814017264 1136386861 /nfs/dbraw/zinc/38/68/61/1136386861.db2.gz VTCKSKUXQMMSER-GFCCVEGCSA-N -1 0 343.857 3.612 20 0 EHADRM CC[C@H](CC(=O)[N-]S(=O)(=O)[C@H](CC)c1ccccc1)C(C)C ZINC000814022932 1136387051 /nfs/dbraw/zinc/38/70/51/1136387051.db2.gz SQWSALQICHJXKU-GDBMZVCRSA-N -1 0 325.474 3.656 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(C)c(C)c1 ZINC000814019120 1136387139 /nfs/dbraw/zinc/38/71/39/1136387139.db2.gz GSWLMGNICJFRLO-KRWDZBQOSA-N -1 0 331.437 3.514 20 0 EHADRM CC[C@H](C(=O)[N-]S(=O)(=O)[C@@H](CC)c1ccccc1)c1ccccc1 ZINC000814020855 1136387291 /nfs/dbraw/zinc/38/72/91/1136387291.db2.gz WSUVEINDDGEVRB-ROUUACIJSA-N -1 0 345.464 3.778 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cc(C(C)C)oc1C ZINC000814022268 1136387592 /nfs/dbraw/zinc/38/75/92/1136387592.db2.gz NLVOLDBUTKUVSE-KRWDZBQOSA-N -1 0 349.452 3.922 20 0 EHADRM Cc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851593666 1136394988 /nfs/dbraw/zinc/39/49/88/1136394988.db2.gz AGQNYVHPJZMBLA-SLWQEBJJSA-N -1 0 325.364 3.663 20 0 EHADRM CCCC[C@@](C)(F)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000851600190 1136395691 /nfs/dbraw/zinc/39/56/91/1136395691.db2.gz DGEAMRIJUBMTHU-OAHLLOKOSA-N -1 0 331.771 3.660 20 0 EHADRM CC(C)c1ccc2cc(C(=O)NC[C@@H](CC(=O)[O-])C3CC3)[nH]c2c1 ZINC000851619398 1136396211 /nfs/dbraw/zinc/39/62/11/1136396211.db2.gz AABKPZFUQAQGQQ-OAHLLOKOSA-N -1 0 328.412 3.522 20 0 EHADRM CC1(C)CCC[C@@H]1[C@@H]1CCN(C(=O)c2ccc(/C=C/C(=O)[O-])o2)C1 ZINC000851609345 1136396275 /nfs/dbraw/zinc/39/62/75/1136396275.db2.gz UFCDLCVHPAFSJY-AQGQNPDFSA-N -1 0 331.412 3.666 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)o1 ZINC000851604957 1136396333 /nfs/dbraw/zinc/39/63/33/1136396333.db2.gz DCEWZSLOOTWJOY-ZEIXHXPOSA-N -1 0 339.391 3.519 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2cccc(SC(F)(F)F)c2)C1 ZINC000851606623 1136396384 /nfs/dbraw/zinc/39/63/84/1136396384.db2.gz RDKNVDUGIUZSRM-CQSZACIVSA-N -1 0 347.358 3.625 20 0 EHADRM CCCCS[C@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000776656624 1136526903 /nfs/dbraw/zinc/52/69/03/1136526903.db2.gz FFYPFDBNXHYOIJ-QMTHXVAHSA-N -1 0 345.411 3.519 20 0 EHADRM CCCCS[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000776656623 1136526992 /nfs/dbraw/zinc/52/69/92/1136526992.db2.gz FFYPFDBNXHYOIJ-IINYFYTJSA-N -1 0 345.411 3.519 20 0 EHADRM C/C(=C\C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1F)c1ccccc1 ZINC000776659874 1136529380 /nfs/dbraw/zinc/52/93/80/1136529380.db2.gz SMLXEEKHIRPLHY-XLNAKTSKSA-N -1 0 345.345 3.700 20 0 EHADRM C[C@@H]1CCCC[C@H]1CC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000776659549 1136529386 /nfs/dbraw/zinc/52/93/86/1136529386.db2.gz GAVXXSJFFXSWHN-WQGACYEGSA-N -1 0 339.382 3.813 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccccc1Cl)c1ccc(F)cc1F ZINC000776659850 1136529496 /nfs/dbraw/zinc/52/94/96/1136529496.db2.gz RXRUKQOOONBKKD-AWEZNQCLSA-N -1 0 339.725 3.564 20 0 EHADRM C[C@@H]1c2ccc(Cl)n2CCN1C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000854483624 1136619971 /nfs/dbraw/zinc/61/99/71/1136619971.db2.gz VAOGTVNIEOYMBQ-SECBINFHSA-N -1 0 347.827 3.788 20 0 EHADRM CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000815712442 1136631766 /nfs/dbraw/zinc/63/17/66/1136631766.db2.gz QUPUWIHJDDKJCD-CQSZACIVSA-N -1 0 342.395 3.511 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccccc1Cl)/C(F)=C/C1CCCCC1 ZINC000815898307 1136648831 /nfs/dbraw/zinc/64/88/31/1136648831.db2.gz YTNDZDKHWDVKPM-RAXLEYEMSA-N -1 0 345.823 3.579 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)C(C)(C)C(C)(C)C)cc1Cl ZINC000815968359 1136655163 /nfs/dbraw/zinc/65/51/63/1136655163.db2.gz FJEUMILESTULJC-UHFFFAOYSA-N -1 0 331.865 3.526 20 0 EHADRM CCCC1(C(=O)[N-]S(=O)(=O)[C@@H](c2ccccc2)C(C)C)CCC1 ZINC000816111737 1136677610 /nfs/dbraw/zinc/67/76/10/1136677610.db2.gz FFLRHZKZZGYHMH-MRXNPFEDSA-N -1 0 337.485 3.800 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](C)C1 ZINC000816109220 1136677680 /nfs/dbraw/zinc/67/76/80/1136677680.db2.gz XNAJRQQSSFAXAK-HYVNUMGLSA-N -1 0 337.485 3.656 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCC(C)(C)C ZINC000816112504 1136678073 /nfs/dbraw/zinc/67/80/73/1136678073.db2.gz WILWQOIWAOEYFP-INIZCTEOSA-N -1 0 325.474 3.656 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H]1CCC(C)(C)C1 ZINC000816112383 1136678197 /nfs/dbraw/zinc/67/81/97/1136678197.db2.gz STRHMRAFWAMOOZ-HZPDHXFCSA-N -1 0 337.485 3.656 20 0 EHADRM CCCOc1ccc(CNC(=O)c2ccc3oc(=S)[n-]c3c2)cc1 ZINC000816889043 1136761499 /nfs/dbraw/zinc/76/14/99/1136761499.db2.gz KQSNPMSHFMSRSA-UHFFFAOYSA-N -1 0 342.420 3.835 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC[C@H](CC(F)(F)F)C1 ZINC000817630479 1136828444 /nfs/dbraw/zinc/82/84/44/1136828444.db2.gz BVKFHSZBGJKWCR-SECBINFHSA-N -1 0 344.358 3.921 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2sccc2-c2ccc(F)cc2)C1 ZINC000817873757 1136842764 /nfs/dbraw/zinc/84/27/64/1136842764.db2.gz JKBDFNJAPGDJQE-WCQYABFASA-N -1 0 347.411 3.737 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N[C@@H]2CCCC[C@H]2CC)n1 ZINC001136190705 1136916808 /nfs/dbraw/zinc/91/68/08/1136916808.db2.gz NBGWSLPMUHPQPS-GDBMZVCRSA-N -1 0 341.455 3.839 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N[C@@H]2CCCC[C@@H]2CC)n1 ZINC001136190706 1136916903 /nfs/dbraw/zinc/91/69/03/1136916903.db2.gz NBGWSLPMUHPQPS-GOEBONIOSA-N -1 0 341.455 3.839 20 0 EHADRM C[C@H]1CCC[C@H](NC(=O)c2cc(Br)c(F)cc2[O-])C1 ZINC001136204661 1136929515 /nfs/dbraw/zinc/92/95/15/1136929515.db2.gz VFOCKBBRYIIKPB-IUCAKERBSA-N -1 0 330.197 3.602 20 0 EHADRM Cc1cc(C)n(-c2ccccc2NC(=O)c2cc(C)cc(C=O)c2[O-])n1 ZINC001136206238 1136930961 /nfs/dbraw/zinc/93/09/61/1136930961.db2.gz BWOHSCIXMRLKPG-UHFFFAOYSA-N -1 0 349.390 3.568 20 0 EHADRM O=c1cc(CC2CCCCC2)[n-]n1-c1ccc(Br)cn1 ZINC001245939651 1136952675 /nfs/dbraw/zinc/95/26/75/1136952675.db2.gz LXBGODPRGRMYLX-UHFFFAOYSA-N -1 0 336.233 3.858 20 0 EHADRM O=S(=O)([N-]c1cccc2ocnc21)c1c(Cl)ccc(F)c1F ZINC000821089141 1137017099 /nfs/dbraw/zinc/01/70/99/1137017099.db2.gz BYGUMARRAWPMEN-UHFFFAOYSA-N -1 0 344.726 3.560 20 0 EHADRM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CC[C@@H](c2cccnc2)C1 ZINC000823462344 1137100590 /nfs/dbraw/zinc/10/05/90/1137100590.db2.gz UIVOPQHQQUBSDU-LLVKDONJSA-N -1 0 337.206 3.724 20 0 EHADRM C[C@H](CN(C)C(=O)c1n[n-]c2ccccc2c1=O)C1CCCCC1 ZINC000863046837 1137168465 /nfs/dbraw/zinc/16/84/65/1137168465.db2.gz QKONCASECIOQRU-CYBMUJFWSA-N -1 0 327.428 3.624 20 0 EHADRM CC(=O)c1cc(NC(=O)c2ccc3[n-]c(=S)oc3c2)ccc1C ZINC001143669726 1137187936 /nfs/dbraw/zinc/18/79/36/1137187936.db2.gz WDLBHTKDNVKMMX-UHFFFAOYSA-N -1 0 326.377 3.880 20 0 EHADRM CC[C@](C)(NCc1cc(=O)oc2cc([O-])c(Cl)cc12)C(F)(F)F ZINC000794558937 1137201400 /nfs/dbraw/zinc/20/14/00/1137201400.db2.gz CUDXZFBTYYEIBE-AWEZNQCLSA-N -1 0 349.736 3.973 20 0 EHADRM CC[C@@H](CNC(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)C(=O)[O-] ZINC000844159416 1137202950 /nfs/dbraw/zinc/20/29/50/1137202950.db2.gz HDDGWVBNYAXSOP-SZUMLMDFSA-N -1 0 349.736 3.513 20 0 EHADRM O=C([O-])CCCC(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000844247290 1137204871 /nfs/dbraw/zinc/20/48/71/1137204871.db2.gz MPZUXQZRPLPSEL-MRXNPFEDSA-N -1 0 337.828 3.862 20 0 EHADRM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000864100287 1137214913 /nfs/dbraw/zinc/21/49/13/1137214913.db2.gz UKHMQPIDVSHYPR-CMUBDUJZSA-N -1 0 339.391 3.818 20 0 EHADRM CCOc1ccc([C@@H](C)NC(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000864105104 1137215318 /nfs/dbraw/zinc/21/53/18/1137215318.db2.gz KLNVNGNTBIOAHZ-CYBMUJFWSA-N -1 0 327.380 3.583 20 0 EHADRM Cc1ccc(C(=O)N(CCc2cccc(F)c2)C2CC2)cc1C(=O)[O-] ZINC000864110621 1137215474 /nfs/dbraw/zinc/21/54/74/1137215474.db2.gz SVWZGXCPJSDNBS-UHFFFAOYSA-N -1 0 341.382 3.680 20 0 EHADRM Cc1ccc(C(=O)Nc2ccccc2OCC2CC2)cc1C(=O)[O-] ZINC000864112417 1137215752 /nfs/dbraw/zinc/21/57/52/1137215752.db2.gz XWVGBWXSIRCBSD-UHFFFAOYSA-N -1 0 325.364 3.734 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)/C=C/c2cc(C(=O)[O-])co2)c1C ZINC000864112372 1137215812 /nfs/dbraw/zinc/21/58/12/1137215812.db2.gz WSXXGLZDVBPUBD-GFOMBABLSA-N -1 0 339.391 3.972 20 0 EHADRM COc1ccccc1-c1ccc(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)s1 ZINC000864118482 1137216044 /nfs/dbraw/zinc/21/60/44/1137216044.db2.gz YBPJFHCNPOAXIZ-OAHLLOKOSA-N -1 0 347.436 3.653 20 0 EHADRM CCc1cc2c(CC(=O)NC3(CC(=O)[O-])CCC3)csc2s1 ZINC000864120177 1137216058 /nfs/dbraw/zinc/21/60/58/1137216058.db2.gz UQEFCGZRJRGREF-UHFFFAOYSA-N -1 0 337.466 3.581 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1)C(F)(F)F ZINC000864127119 1137216272 /nfs/dbraw/zinc/21/62/72/1137216272.db2.gz PXIADDFHMRWIEK-KWQFWETISA-N -1 0 337.725 3.561 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000864137201 1137216843 /nfs/dbraw/zinc/21/68/43/1137216843.db2.gz PKVJNXAJVMXXSL-CZVUKNJHSA-N -1 0 343.354 3.665 20 0 EHADRM Cc1cc2c(CC(=O)N3CCC[C@](C)(C(=O)[O-])C3)csc2s1 ZINC000864149415 1137217109 /nfs/dbraw/zinc/21/71/09/1137217109.db2.gz RLBJMTDTLOVZOH-INIZCTEOSA-N -1 0 337.466 3.527 20 0 EHADRM CCC[C@@H](CNC(=O)c1ccc(-c2ccccc2OC)s1)C(=O)[O-] ZINC000864149616 1137217228 /nfs/dbraw/zinc/21/72/28/1137217228.db2.gz UHBNZTUHSKRQHP-LBPRGKRZSA-N -1 0 347.436 3.654 20 0 EHADRM O=C([O-])C[C@H](c1ccccc1)C1CCN(C(=O)C=C2CCC2)CC1 ZINC000864158099 1137217453 /nfs/dbraw/zinc/21/74/53/1137217453.db2.gz ANLUZLKPJYSGKA-GOSISDBHSA-N -1 0 327.424 3.594 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)/C=C\c1csc(C(F)(F)F)c1 ZINC000864159954 1137217573 /nfs/dbraw/zinc/21/75/73/1137217573.db2.gz PCUIQGDFZJAJKU-MXFLAHGMSA-N -1 0 347.358 3.540 20 0 EHADRM Cc1c(C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)cnc2ccccc12 ZINC000864173141 1137217579 /nfs/dbraw/zinc/21/75/79/1137217579.db2.gz IIYNRZPEUSSVQH-QGZVFWFLSA-N -1 0 340.423 3.554 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(COC(C)C)cc2)cc1C(=O)[O-] ZINC000864177638 1137217836 /nfs/dbraw/zinc/21/78/36/1137217836.db2.gz JFYLPSFYYYNVOD-UHFFFAOYSA-N -1 0 327.380 3.871 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CNC(=O)c2cc(C(=O)[O-])ccc2Cl)o1 ZINC000864177407 1137217937 /nfs/dbraw/zinc/21/79/37/1137217937.db2.gz DBDKFOKFSNOEIQ-JOYOIKCWSA-N -1 0 333.771 3.685 20 0 EHADRM Cc1ccc(N(CC2CC2)C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1F ZINC000864179080 1137218221 /nfs/dbraw/zinc/21/82/21/1137218221.db2.gz PQSHKXDXPRQLJS-LSDHHAIUSA-N -1 0 333.403 3.768 20 0 EHADRM Cc1cc2c(CC(=O)N[C@](C)(CC(=O)[O-])C3CC3)csc2s1 ZINC000864200524 1137218776 /nfs/dbraw/zinc/21/87/76/1137218776.db2.gz ABXCIJPCDBZJHB-MRXNPFEDSA-N -1 0 337.466 3.573 20 0 EHADRM O=C([O-])C1CC(NC(=O)c2cc3sc4ccccc4c3s2)C1 ZINC000864204749 1137218991 /nfs/dbraw/zinc/21/89/91/1137218991.db2.gz QFZDFUGDZCDOJD-UHFFFAOYSA-N -1 0 331.418 3.709 20 0 EHADRM CC[C@@H](C)[C@@H](C)C(=O)N1CCC(c2nc(C)c(C(=O)[O-])s2)CC1 ZINC000864225478 1137219148 /nfs/dbraw/zinc/21/91/48/1137219148.db2.gz WUAOZJNBMSLBHW-GHMZBOCLSA-N -1 0 338.473 3.538 20 0 EHADRM Cc1cccc(C2(C(=O)N[C@@H]3C[C@H]4C[C@@]4(C(=O)[O-])C3)CCCCC2)c1 ZINC000864211064 1137219214 /nfs/dbraw/zinc/21/92/14/1137219214.db2.gz XEWBPLKVRBSACU-CSODHUTKSA-N -1 0 341.451 3.566 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NCc2cccnc2Br)cc1 ZINC000864523351 1137232379 /nfs/dbraw/zinc/23/23/79/1137232379.db2.gz QOFHNOSXDYQFOK-UONOGXRCSA-N -1 0 347.212 3.644 20 0 EHADRM CC[C@@H](C)Sc1ccc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c(C)c1 ZINC000864591723 1137235953 /nfs/dbraw/zinc/23/59/53/1137235953.db2.gz XQUQQHRTPIGZLH-UPJWGTAASA-N -1 0 336.457 3.870 20 0 EHADRM CC[C@H](C)CO[N-]C(=O)CSCc1coc(-c2ccccc2)n1 ZINC000794841576 1137288103 /nfs/dbraw/zinc/28/81/03/1137288103.db2.gz GBWLNROCUAPVSP-ZDUSSCGKSA-N -1 0 334.441 3.669 20 0 EHADRM CC(C)(C)c1nsc([N-]C(=O)c2snc(Cl)c2Cl)n1 ZINC000845420721 1137290986 /nfs/dbraw/zinc/29/09/86/1137290986.db2.gz HCFSIGFCWSMUNQ-UHFFFAOYSA-N -1 0 337.257 3.851 20 0 EHADRM CC1(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)oc2ccccc23)CC1 ZINC000845829453 1137313182 /nfs/dbraw/zinc/31/31/82/1137313182.db2.gz ZCUQVQZMOMEINK-UHFFFAOYSA-N -1 0 343.404 3.581 20 0 EHADRM COc1ccc2oc(C)c(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)c2c1 ZINC000846120671 1137334352 /nfs/dbraw/zinc/33/43/52/1137334352.db2.gz CYRIZKNHPFUZCU-ZDUSSCGKSA-N -1 0 347.411 3.617 20 0 EHADRM C[C@H](c1ccccc1)[C@@](C)(O)C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000121111165 1137361285 /nfs/dbraw/zinc/36/12/85/1137361285.db2.gz JKOBUFLOGJYPBI-ADLMAVQZSA-N -1 0 342.420 3.610 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)CC/C=C/c2ccccc2)c(C)s1 ZINC000122111101 1137405731 /nfs/dbraw/zinc/40/57/31/1137405731.db2.gz ORRYVGGMFABCDU-UXBLZVDNSA-N -1 0 349.477 3.663 20 0 EHADRM COc1cccc2c1C[C@@H](Nc1ccc3oc(=S)[n-]c3c1)CO2 ZINC001171314235 1137412454 /nfs/dbraw/zinc/41/24/54/1137412454.db2.gz RGVGZEXGMAUPPW-LLVKDONJSA-N -1 0 328.393 3.541 20 0 EHADRM O=C(Nc1ccccc1[S-])c1ccnc(Br)c1F ZINC001147932518 1137414875 /nfs/dbraw/zinc/41/48/75/1137414875.db2.gz CSHLBWLWZZOASU-UHFFFAOYSA-N -1 0 327.178 3.524 20 0 EHADRM CC(NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])(C1CC1)C1CC1 ZINC001148369257 1137423460 /nfs/dbraw/zinc/42/34/60/1137423460.db2.gz YPXDPMITPCWLDT-UHFFFAOYSA-N -1 0 345.830 3.540 20 0 EHADRM C[C@@H]1CC[C@@H](NC(=O)c2cc(Br)ccc2O)C[C@@H]1C ZINC000235312480 1137423781 /nfs/dbraw/zinc/42/37/81/1137423781.db2.gz OEYYUNFLTCZRGJ-JFGNBEQYSA-N -1 0 326.234 3.709 20 0 EHADRM CC[C@@H](CC(=O)[N-]S(=O)(=O)/C=C/c1ccccc1)c1ccccc1 ZINC000103635212 1137424293 /nfs/dbraw/zinc/42/42/93/1137424293.db2.gz CFKGCDYMSLLROJ-CLVCIHKQSA-N -1 0 343.448 3.687 20 0 EHADRM C[C@]1(CF)CC(F)(F)CN1C(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001148805465 1137435311 /nfs/dbraw/zinc/43/53/11/1137435311.db2.gz NIPAMWQUCVMZIC-GFCCVEGCSA-N -1 0 342.144 3.908 20 0 EHADRM O=C(Nc1ccc2[nH][nH]c(=O)c2c1)c1cc(Cl)cc(Cl)c1[O-] ZINC001148813944 1137435696 /nfs/dbraw/zinc/43/56/96/1137435696.db2.gz BLVURXWOKZXHIN-UHFFFAOYSA-N -1 0 338.150 3.533 20 0 EHADRM CC(C)Oc1c(F)cc(F)c(-n2[n-]c(=O)c3ccc(N)cc32)c1F ZINC001212645931 1137541822 /nfs/dbraw/zinc/54/18/22/1137541822.db2.gz BUCPKBADUOGOBZ-UHFFFAOYSA-N -1 0 337.301 3.518 20 0 EHADRM O=c1nc(CSC[C@H]2OCCc3ccccc32)[n-]c2ccsc21 ZINC000871695381 1137554036 /nfs/dbraw/zinc/55/40/36/1137554036.db2.gz AMMKRLYFMFBICK-CQSZACIVSA-N -1 0 344.461 3.944 20 0 EHADRM CCOc1ccccc1-c1cc(=O)n([C@H]2CCOC3(CCCC3)C2)[n-]1 ZINC000871964742 1137563925 /nfs/dbraw/zinc/56/39/25/1137563925.db2.gz YROHNIFHFPRCHU-HNNXBMFYSA-N -1 0 342.439 3.514 20 0 EHADRM Cc1c([N-]S(=O)(=O)Cc2ccccc2Cl)noc1C(C)(C)C ZINC000872007617 1137564325 /nfs/dbraw/zinc/56/43/25/1137564325.db2.gz UODOZZPLGJWUPX-UHFFFAOYSA-N -1 0 342.848 3.876 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)noc1C(C)(C)C ZINC000872007654 1137564366 /nfs/dbraw/zinc/56/43/66/1137564366.db2.gz WFZFIQFZEOBWJD-UHFFFAOYSA-N -1 0 346.811 3.874 20 0 EHADRM O=C([O-])c1csc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000872158030 1137574280 /nfs/dbraw/zinc/57/42/80/1137574280.db2.gz YPHKVKJLSOGIQE-OAHLLOKOSA-N -1 0 337.828 3.673 20 0 EHADRM C[C@H]1CN(Cc2cc(C(=O)[O-])cs2)C[C@@H](c2ccc(F)cc2)O1 ZINC000872159698 1137574532 /nfs/dbraw/zinc/57/45/32/1137574532.db2.gz XXCOUGXOBWKNAR-ZBEGNZNMSA-N -1 0 335.400 3.547 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2cnoc2CC)cc1C(C)C ZINC000872370855 1137579062 /nfs/dbraw/zinc/57/90/62/1137579062.db2.gz GKJSZJLEHCPMED-UHFFFAOYSA-N -1 0 338.429 3.560 20 0 EHADRM CC(C)n1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)CC3)n1 ZINC000872370111 1137579073 /nfs/dbraw/zinc/57/90/73/1137579073.db2.gz SRKZGMLXWUEWLP-UHFFFAOYSA-N -1 0 341.436 3.517 20 0 EHADRM COc1ccc(C2CC2)c([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000872414780 1137579705 /nfs/dbraw/zinc/57/97/05/1137579705.db2.gz OOIPAVWOABPRTH-UHFFFAOYSA-N -1 0 339.363 3.652 20 0 EHADRM CSc1ccc(CCCC(=O)N2CC[C@]3(C(=O)[O-])CCC[C@H]23)cc1 ZINC000872766075 1137584028 /nfs/dbraw/zinc/58/40/28/1137584028.db2.gz POFRGDSEUKSUCF-QFBILLFUSA-N -1 0 347.480 3.587 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)[C@H]1C[C@H]1c1ccc3ccccc3c1)CC2 ZINC000872767023 1137584065 /nfs/dbraw/zinc/58/40/65/1137584065.db2.gz HTULATPPKURKKR-VWNVYAMZSA-N -1 0 349.430 3.799 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)C(C)(C)SCC(=O)[O-] ZINC000872829028 1137585131 /nfs/dbraw/zinc/58/51/31/1137585131.db2.gz GTMDLHYFWJVGPG-UHFFFAOYSA-N -1 0 339.457 3.528 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H]1C(=O)Nc1ccc(-c2ccccc2)cc1F ZINC000872834065 1137585304 /nfs/dbraw/zinc/58/53/04/1137585304.db2.gz CDUGKUCBLXQQQZ-CABCVRRESA-N -1 0 327.355 3.932 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)C(C)(C)SCC(=O)[O-] ZINC000872839113 1137585318 /nfs/dbraw/zinc/58/53/18/1137585318.db2.gz MMXNEEKHJUPNFX-UHFFFAOYSA-N -1 0 333.862 3.597 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)Nc1cccc2c1ccn2C(F)F ZINC000872876718 1137585960 /nfs/dbraw/zinc/58/59/60/1137585960.db2.gz ABYVTEAQAJVUDY-UHFFFAOYSA-N -1 0 342.367 3.571 20 0 EHADRM O=C([O-])C1(CC(=O)N2CCC[C@@H]2c2ccccc2)Cc2ccccc2C1 ZINC000872889620 1137586060 /nfs/dbraw/zinc/58/60/60/1137586060.db2.gz AGEGETDFRQLTFJ-LJQANCHMSA-N -1 0 349.430 3.610 20 0 EHADRM Cc1ccc(C)c([C@@H]2CCCN2C(=O)C(C)(C)SCC(=O)[O-])c1 ZINC000872952918 1137586936 /nfs/dbraw/zinc/58/69/36/1137586936.db2.gz UZMNQJQCYUGSIJ-HNNXBMFYSA-N -1 0 335.469 3.563 20 0 EHADRM CC(C)C[C@@](C)(CC(=O)[O-])C(=O)Nc1cc(F)c(F)c(F)c1F ZINC000872995783 1137587672 /nfs/dbraw/zinc/58/76/72/1137587672.db2.gz FFVRBVTXDRXYCC-HNNXBMFYSA-N -1 0 335.297 3.709 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000873001039 1137587754 /nfs/dbraw/zinc/58/77/54/1137587754.db2.gz DEOCCRFXOSTQBW-UHFFFAOYSA-N -1 0 340.203 3.667 20 0 EHADRM CC[C@@H]1CCCCN1C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000873723550 1137606376 /nfs/dbraw/zinc/60/63/76/1137606376.db2.gz PIUKGHGRZHYMJT-CQSZACIVSA-N -1 0 327.380 3.869 20 0 EHADRM CC(C)CN(C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])C1CC1 ZINC000873962067 1137608454 /nfs/dbraw/zinc/60/84/54/1137608454.db2.gz MHAGDKKGUNOSSM-UHFFFAOYSA-N -1 0 327.380 3.725 20 0 EHADRM O=Cc1cc(C(=O)[O-])cc(-c2ccc(OCC(F)(F)F)cc2F)c1 ZINC000874970409 1137627240 /nfs/dbraw/zinc/62/72/40/1137627240.db2.gz PWYBPAVVASSMLN-UHFFFAOYSA-N -1 0 342.244 3.945 20 0 EHADRM O=Cc1cc(C(=O)[O-])cc(-c2ccc(OCc3ccccn3)cc2)c1 ZINC000874969167 1137627249 /nfs/dbraw/zinc/62/72/49/1137627249.db2.gz HSLHWSDGEZVOEZ-UHFFFAOYSA-N -1 0 333.343 3.838 20 0 EHADRM O=Cc1cccc(-c2cccc(-n3nc(C(=O)[O-])c4c3CCC4)c2)c1 ZINC000874972291 1137627295 /nfs/dbraw/zinc/62/72/95/1137627295.db2.gz WVVZPCVJCTZUKP-UHFFFAOYSA-N -1 0 332.359 3.539 20 0 EHADRM Cc1nn(-c2ccc(-c3ccc(C=O)s3)cc2)c(C)c1C(=O)[O-] ZINC000874971422 1137627313 /nfs/dbraw/zinc/62/73/13/1137627313.db2.gz GEUHYWJRAINGOT-UHFFFAOYSA-N -1 0 326.377 3.728 20 0 EHADRM O=Cc1cccc(-c2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3)o2)c1 ZINC000874972242 1137627352 /nfs/dbraw/zinc/62/73/52/1137627352.db2.gz UQFPNQUOMZBKSW-UHFFFAOYSA-N -1 0 335.315 3.710 20 0 EHADRM CCCCC[C@@H](NC(=O)c1ccc2oc(=O)nc-2[n-]1)c1ccccc1 ZINC000825851334 1137645312 /nfs/dbraw/zinc/64/53/12/1137645312.db2.gz NYHJUMOGIBALIG-CQSZACIVSA-N -1 0 339.395 3.980 20 0 EHADRM Cc1cc2scc(CC(=O)Nc3n[nH]c(C(F)(F)F)n3)c2s1 ZINC000878094448 1137702061 /nfs/dbraw/zinc/70/20/61/1137702061.db2.gz UWYVYDNAJWKBCS-UHFFFAOYSA-N -1 0 346.359 3.589 20 0 EHADRM O=C(CCC(=O)c1ccc2c(c1)CCCC2)NOCc1ccccc1 ZINC000023040105 1137735475 /nfs/dbraw/zinc/73/54/75/1137735475.db2.gz VJJDJLOILCMQMR-UHFFFAOYSA-N -1 0 337.419 3.776 20 0 EHADRM CC(C)ON=C([O-])Nc1nnc(-c2cccc(C(F)(F)F)c2)s1 ZINC000880222666 1137771424 /nfs/dbraw/zinc/77/14/24/1137771424.db2.gz ARACJCHLKKYGBN-UHFFFAOYSA-N -1 0 346.334 3.685 20 0 EHADRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ncsc1C1CC1 ZINC000882771298 1137833874 /nfs/dbraw/zinc/83/38/74/1137833874.db2.gz WUFVHKUZGFQZRN-UHFFFAOYSA-N -1 0 328.846 3.783 20 0 EHADRM CC1(C)CC(=O)C(C(=O)Nc2cc(Cl)ccc2Cl)=C([O-])C1 ZINC000102194935 1137872497 /nfs/dbraw/zinc/87/24/97/1137872497.db2.gz XKJUFGPXRJIQFI-UHFFFAOYSA-N -1 0 328.195 3.506 20 0 EHADRM COc1ccc(Nc2cccc3nc(C)ccc32)c(S(=O)(=O)[O-])c1 ZINC001212797870 1137886557 /nfs/dbraw/zinc/88/65/57/1137886557.db2.gz PFZRMQHAYOKVRR-UHFFFAOYSA-N -1 0 344.392 3.542 20 0 EHADRM Cc1cccc(S([O-])=CC(=O)N(C)[C@@H]2CCCc3ccccc32)c1 ZINC000108099901 1137888668 /nfs/dbraw/zinc/88/86/68/1137888668.db2.gz BPSOFXZFUKVTNT-DVECYGJZSA-N -1 0 341.476 3.639 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)N2CCC[C@H]2c2ccc(F)cc2)s[n-]1 ZINC000331550148 1137912254 /nfs/dbraw/zinc/91/22/54/1137912254.db2.gz OAJCLWKWTZRRES-ZDUSSCGKSA-N -1 0 348.447 3.766 20 0 EHADRM CCC(CC)c1nnc([N-]C(=O)c2ncoc2[C@H]2CCCO2)s1 ZINC000331681398 1137916962 /nfs/dbraw/zinc/91/69/62/1137916962.db2.gz WFFJGPVMGGLDHG-SNVBAGLBSA-N -1 0 336.417 3.534 20 0 EHADRM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000332101277 1137931775 /nfs/dbraw/zinc/93/17/75/1137931775.db2.gz CLJLROLKYZRYPN-OCCSQVGLSA-N -1 0 344.484 3.667 20 0 EHADRM Cc1cc(C)c(NC(=O)Nc2cccc(C)c2C)c(S(=O)(=O)[O-])c1 ZINC001202703888 1137932231 /nfs/dbraw/zinc/93/22/31/1137932231.db2.gz GMHCPTMHZYENBG-UHFFFAOYSA-N -1 0 348.424 3.811 20 0 EHADRM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2sccc2OC)cc1 ZINC000120995721 1137954251 /nfs/dbraw/zinc/95/42/51/1137954251.db2.gz XDYRYBJOQRVYPJ-NSHDSACASA-N -1 0 341.454 3.735 20 0 EHADRM C[C@H]1CCN(C(=O)N=c2ccc(C3CC3)n[n-]2)[C@@H]1c1cccc(F)c1 ZINC000333176517 1137957234 /nfs/dbraw/zinc/95/72/34/1137957234.db2.gz LOLGYRFXFNRMHV-SGTLLEGYSA-N -1 0 340.402 3.530 20 0 EHADRM C[C@@H]1CCN(C(=O)N=c2ccc(C3CC3)n[n-]2)[C@@H]1c1cccc(F)c1 ZINC000333176518 1137957288 /nfs/dbraw/zinc/95/72/88/1137957288.db2.gz LOLGYRFXFNRMHV-XIKOKIGWSA-N -1 0 340.402 3.530 20 0 EHADRM CCSCc1cccnc1[N-]S(=O)(=O)c1sccc1Cl ZINC000886441845 1138078288 /nfs/dbraw/zinc/07/82/88/1138078288.db2.gz IOGBNNVEARQOJY-UHFFFAOYSA-N -1 0 348.902 3.850 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)N3CCC[C@@H]3CCC(C)C)cc2=O)cc1 ZINC000122725009 1138261382 /nfs/dbraw/zinc/26/13/82/1138261382.db2.gz ITRBCHYLPPSLQW-MRXNPFEDSA-N -1 0 341.455 3.515 20 0 EHADRM CCCOc1ccc(NC(=O)N(C)C[C@H](C)C(=O)[O-])cc1C(C)C ZINC000887394500 1138302841 /nfs/dbraw/zinc/30/28/41/1138302841.db2.gz SZSQUYYWGLSEKM-ZDUSSCGKSA-N -1 0 336.432 3.783 20 0 EHADRM Cc1cc(F)ncc1Nc1cccc2cc(S(=O)(=O)[O-])ccc21 ZINC001212816869 1138390658 /nfs/dbraw/zinc/39/06/58/1138390658.db2.gz PSPDEPVFGACQDY-UHFFFAOYSA-N -1 0 332.356 3.673 20 0 EHADRM Cc1csc(CN[C@]2(C(=O)[O-])CCC(C)(C)c3ccccc32)n1 ZINC000336862904 1138417718 /nfs/dbraw/zinc/41/77/18/1138417718.db2.gz AMFYPHRVRTZCCI-GOSISDBHSA-N -1 0 330.453 3.593 20 0 EHADRM CCc1nc2c(s1)[C@@H](N(C)C(=O)c1c([O-])cccc1F)CCC2 ZINC000130028153 1138431992 /nfs/dbraw/zinc/43/19/92/1138431992.db2.gz OIDAPXYMLGRHJX-LBPRGKRZSA-N -1 0 334.416 3.700 20 0 EHADRM COc1cncc(S(=O)(=O)[N-]c2cccc(-c3cccs3)c2)c1 ZINC000337170577 1138485048 /nfs/dbraw/zinc/48/50/48/1138485048.db2.gz FHPSAXGWONGBBT-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM COc1ccc(-c2csc(Nc3ncnc4ccncc43)n2)cc1 ZINC000337528744 1138595935 /nfs/dbraw/zinc/59/59/35/1138595935.db2.gz TTYXPTQBFUGJAQ-UHFFFAOYSA-N -1 0 335.392 3.901 20 0 EHADRM Cc1n[nH]c(C)c1[C@H](C)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000133496113 1138641986 /nfs/dbraw/zinc/64/19/86/1138641986.db2.gz ADWZYKQUSNXYJV-LURJTMIESA-N -1 0 328.199 3.781 20 0 EHADRM CC(C)CCOc1ccccc1CNC(=O)CC(C)(C)CC(=O)[O-] ZINC000337722934 1138652209 /nfs/dbraw/zinc/65/22/09/1138652209.db2.gz XMWGRERGYFJNGN-UHFFFAOYSA-N -1 0 335.444 3.619 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)cn1 ZINC000337741361 1138656960 /nfs/dbraw/zinc/65/69/60/1138656960.db2.gz BFKKYQUHPCLOLS-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM O=S(=O)([N-]c1nc2ccsc2s1)c1cnc2ccccc2c1 ZINC000337754516 1138659880 /nfs/dbraw/zinc/65/98/80/1138659880.db2.gz HHABMWHESQQFAP-UHFFFAOYSA-N -1 0 347.446 3.707 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)N(CC(=O)[O-])c1ccccc1 ZINC000337753821 1138659927 /nfs/dbraw/zinc/65/99/27/1138659927.db2.gz RHTBIBSTKONMAJ-MRXNPFEDSA-N -1 0 329.421 3.675 20 0 EHADRM CSc1cccc(S(=O)(=O)[N-]c2cccc3cccnc32)c1 ZINC000337773074 1138664509 /nfs/dbraw/zinc/66/45/09/1138664509.db2.gz WFLNUSOMYGXQTN-UHFFFAOYSA-N -1 0 330.434 3.758 20 0 EHADRM Cc1sc(CNC(=O)CC2(CC(=O)[O-])CCCC2)nc1C(C)C ZINC000348461258 1138667969 /nfs/dbraw/zinc/66/79/69/1138667969.db2.gz FMQOGANVVCHOTQ-UHFFFAOYSA-N -1 0 338.473 3.616 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2C)c1 ZINC000337797344 1138670469 /nfs/dbraw/zinc/67/04/69/1138670469.db2.gz DXVNHWVTFHPBMX-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@@H](C)c2ccc(-c3cccnc3)cc2)s[n-]1 ZINC000337873897 1138687524 /nfs/dbraw/zinc/68/75/24/1138687524.db2.gz PINYCOQPGUPXFG-STQMWFEESA-N -1 0 340.452 3.903 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc(Oc3ccccn3)cc2)CCCC1 ZINC000265069599 1138718104 /nfs/dbraw/zinc/71/81/04/1138718104.db2.gz OVHLLWMSPVAPGS-UHFFFAOYSA-N -1 0 340.379 3.848 20 0 EHADRM CO[C@H](C)c1nc(=NC(=O)C[C@H]2C[C@@H](C)c3c2cccc3C)s[n-]1 ZINC000338028953 1138727961 /nfs/dbraw/zinc/72/79/61/1138727961.db2.gz POBOJFNQZPJNLW-JHJVBQTASA-N -1 0 345.468 3.595 20 0 EHADRM CC(C)Oc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000179980478 1139798217 /nfs/dbraw/zinc/79/82/17/1139798217.db2.gz RXYRCFQIQUMYJF-BMFZPTHFSA-N -1 0 333.428 3.542 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)c2cc(F)c(F)c([O-])c2F)s1 ZINC000180044356 1139804015 /nfs/dbraw/zinc/80/40/15/1139804015.db2.gz VVKIJXYVAUKOOF-SSDOTTSWSA-N -1 0 329.343 3.540 20 0 EHADRM CC[C@](C)(NC(=O)c1cc(F)c([O-])c(Cl)c1)c1nccs1 ZINC000184430550 1140102394 /nfs/dbraw/zinc/10/23/94/1140102394.db2.gz RLZLLOFVDSVLJC-AWEZNQCLSA-N -1 0 328.796 3.696 20 0 EHADRM O=C(Nc1nc2ccc(Cl)cn2n1)c1scnc1C1CCCC1 ZINC000185242209 1140141234 /nfs/dbraw/zinc/14/12/34/1140141234.db2.gz CSXHYDVHMBLDAJ-UHFFFAOYSA-N -1 0 347.831 3.749 20 0 EHADRM CC[C@@]1(CO)CCCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C1 ZINC000187052633 1140235508 /nfs/dbraw/zinc/23/55/08/1140235508.db2.gz RAVNHZITSMJKIH-LJQANCHMSA-N -1 0 347.842 3.824 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1cccc(C(C)(C)C)c1O ZINC000187082504 1140236703 /nfs/dbraw/zinc/23/67/03/1140236703.db2.gz HVPBOHJWNCRULE-UHFFFAOYSA-N -1 0 341.454 3.561 20 0 EHADRM O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1cc(F)c([O-])c(Cl)c1 ZINC000192488598 1140535366 /nfs/dbraw/zinc/53/53/66/1140535366.db2.gz GJZAGJCUENRHJI-CJNGLKHVSA-N -1 0 349.789 3.835 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(C)c(F)c2)cnn1C1CCCC1 ZINC000194223605 1140602704 /nfs/dbraw/zinc/60/27/04/1140602704.db2.gz GTHCQEAUERMVJE-UHFFFAOYSA-N -1 0 337.420 3.555 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cc(C)cc(F)c2)cnn1C1CCCC1 ZINC000194220286 1140602716 /nfs/dbraw/zinc/60/27/16/1140602716.db2.gz KYGNAPRRCSYULA-UHFFFAOYSA-N -1 0 337.420 3.555 20 0 EHADRM O=C([O-])C1CCC(C(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)CC1 ZINC000194394469 1140607577 /nfs/dbraw/zinc/60/75/77/1140607577.db2.gz WFRDAMBFPVJLDZ-LADRWXRNSA-N -1 0 341.451 3.946 20 0 EHADRM O=C([O-])C1CCC(C(=O)N2CC3(CCCC3)c3c2cccc3F)CC1 ZINC000194407173 1140608317 /nfs/dbraw/zinc/60/83/17/1140608317.db2.gz KNVSCMMDVUZYKQ-UHFFFAOYSA-N -1 0 345.414 3.875 20 0 EHADRM C[C@H]1SCCN(C(=O)C2CCC(C(=O)[O-])CC2)[C@@H]1c1ccccc1 ZINC000194432496 1140609590 /nfs/dbraw/zinc/60/95/90/1140609590.db2.gz DKHKOPHSSLNUPD-MFNRNEDNSA-N -1 0 347.480 3.583 20 0 EHADRM O=C([O-])C1CCC(C(=O)N2CCC(CCc3ccccc3)CC2)CC1 ZINC000194427705 1140609893 /nfs/dbraw/zinc/60/98/93/1140609893.db2.gz AXESQTYEKMORDU-UHFFFAOYSA-N -1 0 343.467 3.749 20 0 EHADRM Cc1cnc([C@H](C)NC(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)s1 ZINC000267350893 1140781773 /nfs/dbraw/zinc/78/17/73/1140781773.db2.gz LWVFWAQKPDYXRB-SJCJKPOMSA-N -1 0 338.473 3.690 20 0 EHADRM COC[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])C1 ZINC000269222338 1141080838 /nfs/dbraw/zinc/08/08/38/1141080838.db2.gz DIXNUHIWSORPKS-CYBMUJFWSA-N -1 0 345.826 3.821 20 0 EHADRM Cn1cccc1[C@@H]1CCCCCN1C(=O)c1s[n-]c(=O)c1Cl ZINC000283043694 1141543887 /nfs/dbraw/zinc/54/38/87/1141543887.db2.gz SAZDJXKRFAFNHM-NSHDSACASA-N -1 0 339.848 3.598 20 0 EHADRM O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)c1s[n-]c(=O)c1Cl ZINC000283075979 1141548698 /nfs/dbraw/zinc/54/86/98/1141548698.db2.gz NRFIWFDTDRXVFL-GFCCVEGCSA-N -1 0 340.807 3.912 20 0 EHADRM CC(C)N(Cc1ccccc1F)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000348742840 1141573614 /nfs/dbraw/zinc/57/36/14/1141573614.db2.gz VZOHKJMLVIQYMR-UHFFFAOYSA-N -1 0 341.304 3.999 20 0 EHADRM C[C@@H]1CCN(C(=O)c2s[n-]c(=O)c2Cl)[C@H]1c1cccc(F)c1 ZINC000283218620 1141574981 /nfs/dbraw/zinc/57/49/81/1141574981.db2.gz APIRCURVVTYFRH-PRHODGIISA-N -1 0 340.807 3.865 20 0 EHADRM Cc1ccc(SC[C@@H](C)NC(=O)CC2(C(=O)[O-])CCCC2)cc1 ZINC000349085203 1141636908 /nfs/dbraw/zinc/63/69/08/1141636908.db2.gz XPIUJJOUPNDNKT-CQSZACIVSA-N -1 0 335.469 3.627 20 0 EHADRM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1 ZINC000055619432 214334369 /nfs/dbraw/zinc/33/43/69/214334369.db2.gz ZXTMILVAKWVLAI-UHFFFAOYSA-N -1 0 325.817 3.928 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1F ZINC000055678419 214337429 /nfs/dbraw/zinc/33/74/29/214337429.db2.gz FHRFINHNXMOWHM-UHFFFAOYSA-N -1 0 347.770 3.818 20 0 EHADRM COc1cccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000020626891 212157328 /nfs/dbraw/zinc/15/73/28/212157328.db2.gz GMWAPVQOAUWRPV-UHFFFAOYSA-N -1 0 338.237 3.864 20 0 EHADRM O=C([O-])c1cccnc1SCc1cc(F)ccc1Br ZINC000019398549 212026097 /nfs/dbraw/zinc/02/60/97/212026097.db2.gz GIDDYOPSFHCEFO-UHFFFAOYSA-N -1 0 342.189 3.974 20 0 EHADRM Cc1ccc(C(C)C)cc1OCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000013094703 211520895 /nfs/dbraw/zinc/52/08/95/211520895.db2.gz MRTHAYTZTTVIJN-UHFFFAOYSA-N -1 0 327.380 3.834 20 0 EHADRM CC(C)(CC(=O)[O-])NC(=O)CCCc1cc(Cl)sc1Cl ZINC000776622737 601680433 /nfs/dbraw/zinc/68/04/33/601680433.db2.gz AEAUMIKMPSMMOL-UHFFFAOYSA-N -1 0 338.256 3.747 20 0 EHADRM CC(C)c1cc(C(=O)N2CCC(C(=O)[O-])CC2)c(O)c(C(C)C)c1 ZINC000263561933 596932845 /nfs/dbraw/zinc/93/28/45/596932845.db2.gz CLXKZKCPOKCYPY-UHFFFAOYSA-N -1 0 333.428 3.576 20 0 EHADRM CCCCCCOc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000013167201 596934186 /nfs/dbraw/zinc/93/41/86/596934186.db2.gz XTLRYELROAAPGJ-UHFFFAOYSA-N -1 0 333.428 3.583 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1cccc(-c2nccs2)c1 ZINC000263511531 597013916 /nfs/dbraw/zinc/01/39/16/597013916.db2.gz XXSZKTACHWUJIC-UHFFFAOYSA-N -1 0 333.413 3.575 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000054296539 597049103 /nfs/dbraw/zinc/04/91/03/597049103.db2.gz ASFBCTXXJWCOBK-VIFPVBQESA-N -1 0 331.199 3.712 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000054302585 597050726 /nfs/dbraw/zinc/05/07/26/597050726.db2.gz ZXKHRHKWIKEHQW-VIFPVBQESA-N -1 0 331.199 3.712 20 0 EHADRM O=C([O-])CN(C(=O)c1cc2ccc(Cl)cc2[nH]1)c1ccccc1 ZINC000740481440 597126342 /nfs/dbraw/zinc/12/63/42/597126342.db2.gz PQPANCKYRVOBSL-UHFFFAOYSA-N -1 0 328.755 3.553 20 0 EHADRM Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2cccc(CC(=O)[O-])c2)s1 ZINC000738351081 597184533 /nfs/dbraw/zinc/18/45/33/597184533.db2.gz ZBSBLCFBUWXXQD-NSHDSACASA-N -1 0 347.440 3.612 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N2CCC[C@H]2c2ccsc2)c1 ZINC000738624096 597196529 /nfs/dbraw/zinc/19/65/29/597196529.db2.gz MUNHMXNESGAWST-HNNXBMFYSA-N -1 0 330.409 3.744 20 0 EHADRM C[C@H]1c2ccc(F)cc2CCN1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737766226 597203191 /nfs/dbraw/zinc/20/31/91/597203191.db2.gz PJNPSJDYPZLFQS-LBPRGKRZSA-N -1 0 342.370 3.604 20 0 EHADRM CC[C@@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)c1ccc(OC)cc1 ZINC000737785222 597203223 /nfs/dbraw/zinc/20/32/23/597203223.db2.gz VSCYKMCDLMTMOK-QGZVFWFLSA-N -1 0 342.395 3.595 20 0 EHADRM CN(C(=O)NCc1ccc(C(=O)[O-])cc1)[C@H]1CCCc2ccccc21 ZINC000581654569 597298712 /nfs/dbraw/zinc/29/87/12/597298712.db2.gz RSFQNWNLRXSDTP-SFHVURJKSA-N -1 0 338.407 3.604 20 0 EHADRM CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000817847304 597318322 /nfs/dbraw/zinc/31/83/22/597318322.db2.gz CEUXYNVKNCYRBO-UHFFFAOYSA-N -1 0 347.798 3.763 20 0 EHADRM COc1ccc(C)cc1[C@@H](C)NC(=O)Nc1ccccc1CC(=O)[O-] ZINC000818583006 597335081 /nfs/dbraw/zinc/33/50/81/597335081.db2.gz KJXHVOSWNKXHFA-CYBMUJFWSA-N -1 0 342.395 3.513 20 0 EHADRM CC(C)C[C@@H](NC(=O)Nc1ccccc1CCC(F)(F)F)C(=O)[O-] ZINC000817887487 597511709 /nfs/dbraw/zinc/51/17/09/597511709.db2.gz FZAKFUYNCVHQIY-CYBMUJFWSA-N -1 0 346.349 3.802 20 0 EHADRM O=C([O-])CCCCCNC(=O)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000414619600 597607066 /nfs/dbraw/zinc/60/70/66/597607066.db2.gz BPLXZDZYDBBFIL-UJGDBWEASA-N -1 0 330.428 3.519 20 0 EHADRM C[S@@](=O)Cc1cc(NCc2cccc(C(=O)[O-])c2)ccc1Cl ZINC000820900142 597734939 /nfs/dbraw/zinc/73/49/39/597734939.db2.gz QGNLHHXEWNEDJF-JOCHJYFZSA-N -1 0 337.828 3.529 20 0 EHADRM O=C([O-])CCCOC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000738581406 597822863 /nfs/dbraw/zinc/82/28/63/597822863.db2.gz LVOMDCBZGYYVCC-UHFFFAOYSA-N -1 0 346.981 3.717 20 0 EHADRM O=C([O-])c1ccc(CNc2cccc3c2CN(c2ccccn2)C3)cc1 ZINC000821546006 598097406 /nfs/dbraw/zinc/09/74/06/598097406.db2.gz ZCHWLVJMRRMPHX-UHFFFAOYSA-N -1 0 345.402 3.912 20 0 EHADRM Cc1ccc(NC(=O)C[C@@H](C)Nc2cccc(CC(=O)[O-])c2)c(C)c1 ZINC000563396649 598198213 /nfs/dbraw/zinc/19/82/13/598198213.db2.gz NVPUCWVCCRNRPP-OAHLLOKOSA-N -1 0 340.423 3.760 20 0 EHADRM O=C([O-])c1cccc(CN[C@H](c2ccc(F)cc2)c2ccccn2)c1 ZINC000821551632 598203354 /nfs/dbraw/zinc/20/33/54/598203354.db2.gz PIWJJBWEBWYPEU-LJQANCHMSA-N -1 0 336.366 3.798 20 0 EHADRM Cc1cccc([C@@H](NCc2cccc(C(=O)[O-])c2)c2ccccn2)c1 ZINC000821112152 598205114 /nfs/dbraw/zinc/20/51/14/598205114.db2.gz HJFDIHVEIDYVCK-HXUWFJFHSA-N -1 0 332.403 3.967 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N2CCCc3sccc3C2)ccc1F ZINC000740005186 599701957 /nfs/dbraw/zinc/70/19/57/599701957.db2.gz JRSZLHZXVOETCW-UHFFFAOYSA-N -1 0 349.387 3.957 20 0 EHADRM CCCN(C)c1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000479482715 599703510 /nfs/dbraw/zinc/70/35/10/599703510.db2.gz BXWFMBVRNFEIMH-UHFFFAOYSA-N -1 0 330.359 3.622 20 0 EHADRM Cc1cccc(OCCC(=O)Nc2ccc(C(=O)[O-])cc2F)c1C ZINC000324775484 599704860 /nfs/dbraw/zinc/70/48/60/599704860.db2.gz FYFZDZUGQJDPAC-UHFFFAOYSA-N -1 0 331.343 3.548 20 0 EHADRM CCN(CC)c1ccc(NC(=O)c2ccccc2NC(=O)[O-])cc1 ZINC000737094291 599707307 /nfs/dbraw/zinc/70/73/07/599707307.db2.gz OKAWGYXQTFJWIY-UHFFFAOYSA-N -1 0 327.384 3.875 20 0 EHADRM CCOc1cccc([C@H](C)NC(=O)c2ccccc2NC(=O)[O-])c1 ZINC000737211953 599709961 /nfs/dbraw/zinc/70/99/61/599709961.db2.gz YSVRCRCRNURVNA-LBPRGKRZSA-N -1 0 328.368 3.666 20 0 EHADRM C[C@H](CN(C)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1ccccc1 ZINC000736569091 599710310 /nfs/dbraw/zinc/71/03/10/599710310.db2.gz NEBLCLPYLVWACN-LLVKDONJSA-N -1 0 348.349 3.930 20 0 EHADRM Cc1c(NC(=O)N(C)C[C@@H](C)c2ccccc2)cccc1C(=O)[O-] ZINC000738300409 599711191 /nfs/dbraw/zinc/71/11/91/599711191.db2.gz VPWQFQKHJYRRKI-CYBMUJFWSA-N -1 0 326.396 3.961 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])s2)cc(C)c1OC(F)F ZINC000738335260 599713477 /nfs/dbraw/zinc/71/34/77/599713477.db2.gz IJPSATYMZUADTQ-UHFFFAOYSA-N -1 0 341.335 3.917 20 0 EHADRM COc1ccc(CN(C)C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000737995475 599715945 /nfs/dbraw/zinc/71/59/45/599715945.db2.gz SEHNYMCLZZVYQU-UHFFFAOYSA-N -1 0 347.346 3.588 20 0 EHADRM CCSCc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2O)cc1 ZINC000737230651 599721421 /nfs/dbraw/zinc/72/14/21/599721421.db2.gz AOGWLCSGFQMOSS-UHFFFAOYSA-N -1 0 331.393 3.596 20 0 EHADRM CN(CCCC(=O)Nc1ccc2oc3ccccc3c2c1)C(=O)[O-] ZINC000737431654 599726072 /nfs/dbraw/zinc/72/60/72/599726072.db2.gz WDYBJDKZFDFRBW-UHFFFAOYSA-N -1 0 326.352 3.915 20 0 EHADRM O=C([O-])c1ccc(CSc2nnc(Cc3cccc(F)c3)o2)cc1 ZINC000740137357 599731805 /nfs/dbraw/zinc/73/18/05/599731805.db2.gz XXWKWQYLORXRKQ-UHFFFAOYSA-N -1 0 344.367 3.790 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Cc1coc2ccc3ccccc3c12)C(=O)[O-] ZINC000531749013 599742471 /nfs/dbraw/zinc/74/24/71/599742471.db2.gz FTINLPSHXYDRMI-BUXKBTBVSA-N -1 0 339.391 3.744 20 0 EHADRM Cc1nc(CC(C)C)sc1C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000738851113 599746103 /nfs/dbraw/zinc/74/61/03/599746103.db2.gz HRGOBAHZCTUJGX-UHFFFAOYSA-N -1 0 333.413 3.992 20 0 EHADRM CC(C)Cc1ccc([C@@H](NC(=O)CCCN(C)C(=O)[O-])C2CC2)cc1 ZINC000736452823 599748150 /nfs/dbraw/zinc/74/81/50/599748150.db2.gz GZQFISNCMFVOBY-LJQANCHMSA-N -1 0 346.471 3.842 20 0 EHADRM O=C([O-])CSCCC(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000739848643 599749799 /nfs/dbraw/zinc/74/97/99/599749799.db2.gz DPZDIKJHHVBHAW-UHFFFAOYSA-N -1 0 349.383 3.764 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(OCc3ccncc3)cc2)cc1 ZINC000740114472 599754842 /nfs/dbraw/zinc/75/48/42/599754842.db2.gz JBOGGMMQXJHZBN-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(OCC(=O)[O-])cc1)C1CCCCC1 ZINC000324746839 599755764 /nfs/dbraw/zinc/75/57/64/599755764.db2.gz QDUDPBVOOFUXQY-INIZCTEOSA-N -1 0 334.416 3.630 20 0 EHADRM CCCCC1CCC(C(=O)N[C@@H](C(=O)[O-])c2ccc(OC)cc2)CC1 ZINC000736986411 599759107 /nfs/dbraw/zinc/75/91/07/599759107.db2.gz WJLOOKHWCTXAKX-JFUPDXTOSA-N -1 0 347.455 3.934 20 0 EHADRM Cc1nc(-c2ccsc2)ccc1C(=O)NCCCCCCC(=O)[O-] ZINC000237731412 599763755 /nfs/dbraw/zinc/76/37/55/599763755.db2.gz LPGOGXSOOVIGSB-UHFFFAOYSA-N -1 0 346.452 3.883 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)c(C)n1C(C)C ZINC000236710854 599767102 /nfs/dbraw/zinc/76/71/02/599767102.db2.gz BGIJDWWMGNQJQN-UHFFFAOYSA-N -1 0 328.412 3.955 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2cccn2Cc2ccccc2)cc1 ZINC000305255834 599768976 /nfs/dbraw/zinc/76/89/76/599768976.db2.gz HJQNATWRGZTPIJ-UHFFFAOYSA-N -1 0 348.402 3.806 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1 ZINC000325898177 599769007 /nfs/dbraw/zinc/76/90/07/599769007.db2.gz VYVPAATYAJJJDP-UHFFFAOYSA-N -1 0 342.376 3.673 20 0 EHADRM Cc1[nH]c(-c2ccccc2)nc1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000738228358 599770838 /nfs/dbraw/zinc/77/08/38/599770838.db2.gz SJMXINDYPUYVQM-UHFFFAOYSA-N -1 0 349.390 3.655 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)cc1 ZINC000740115296 599785392 /nfs/dbraw/zinc/78/53/92/599785392.db2.gz QQQQLLTVBLIADH-UHFFFAOYSA-N -1 0 344.798 3.891 20 0 EHADRM CCCC[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000736984714 599789023 /nfs/dbraw/zinc/78/90/23/599789023.db2.gz JTLVLMXFXJIZJG-BBRMVZONSA-N -1 0 334.416 3.630 20 0 EHADRM Cc1ccc(C)c(CC(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)c1 ZINC000236625493 599796363 /nfs/dbraw/zinc/79/63/63/599796363.db2.gz BOVLCOVSUNQMLM-UHFFFAOYSA-N -1 0 341.407 3.970 20 0 EHADRM CC(C)(CNC(=O)c1cccc(C(=O)[O-])c1)c1ccccc1Cl ZINC000736323815 599800163 /nfs/dbraw/zinc/80/01/63/599800163.db2.gz MFVLBWILPSWMGM-UHFFFAOYSA-N -1 0 331.799 3.746 20 0 EHADRM O=C([O-])c1coc(CSc2nnc(-c3cccs3)n2C2CC2)c1 ZINC000740269297 599804258 /nfs/dbraw/zinc/80/42/58/599804258.db2.gz NSVODMCVYSRYDD-UHFFFAOYSA-N -1 0 347.421 3.925 20 0 EHADRM C[C@H](NC(=S)NCCCCC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000736661544 599806203 /nfs/dbraw/zinc/80/62/03/599806203.db2.gz WXSONFSMZIFTBY-VIFPVBQESA-N -1 0 349.283 3.773 20 0 EHADRM CC(C)(C)c1nc(C(=O)N2CCCc3c(C(=O)[O-])cccc32)cs1 ZINC000736299983 599809003 /nfs/dbraw/zinc/80/90/03/599809003.db2.gz QAUFRCNQYMHVIK-UHFFFAOYSA-N -1 0 344.436 3.732 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1ccc(C(F)F)cc1 ZINC000737877758 599810104 /nfs/dbraw/zinc/81/01/04/599810104.db2.gz IFDFDSHMRDPFIU-YCRREMRBSA-N -1 0 348.301 3.950 20 0 EHADRM O=C([O-])C1(NC(=O)C[C@@H]2CCCc3ccccc32)CCCCCC1 ZINC000739223039 599813624 /nfs/dbraw/zinc/81/36/24/599813624.db2.gz MYQAJJZWZOCKTQ-INIZCTEOSA-N -1 0 329.440 3.790 20 0 EHADRM Cc1[nH]c(-c2csc(C(=O)c3ccccc3)n2)c(C)c1C(=O)[O-] ZINC000738149137 599815450 /nfs/dbraw/zinc/81/54/50/599815450.db2.gz MOBFWPWQVQCCSI-UHFFFAOYSA-N -1 0 326.377 3.684 20 0 EHADRM CCC[C@@H](NC(=O)Nc1cccc(NC(=O)[O-])c1)c1ccccn1 ZINC000736974855 599818923 /nfs/dbraw/zinc/81/89/23/599818923.db2.gz WTHIPFJUWLPPQU-OAHLLOKOSA-N -1 0 328.372 3.834 20 0 EHADRM Cc1cccc2c1CCN(C(=O)Nc1ccc(CCC(=O)[O-])cc1)C2 ZINC000738748670 599822933 /nfs/dbraw/zinc/82/29/33/599822933.db2.gz ZQEVKHKGICJHRR-UHFFFAOYSA-N -1 0 338.407 3.602 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N[C@H](c2ccccc2)C2CC2)cc1 ZINC000739761853 599827705 /nfs/dbraw/zinc/82/77/05/599827705.db2.gz WXBUPXBYZYYSLA-LJQANCHMSA-N -1 0 338.407 3.977 20 0 EHADRM Cc1cc(C)c(C(=O)[C@H](C)OC(=O)c2ccccc2C(=O)[O-])cc1C ZINC000738352668 599828703 /nfs/dbraw/zinc/82/87/03/599828703.db2.gz UBXYEGUPAHXYTC-AWEZNQCLSA-N -1 0 340.375 3.738 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)C[C@H]1CCCc2ccccc21 ZINC000739220816 599829216 /nfs/dbraw/zinc/82/92/16/599829216.db2.gz CPVCHIOUIDTLCF-CYBMUJFWSA-N -1 0 327.355 3.973 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000736622742 599834436 /nfs/dbraw/zinc/83/44/36/599834436.db2.gz VIKRGVWEVRBDLX-JTQLQIEISA-N -1 0 347.411 3.891 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2ccc(F)cc2C(=O)[O-])cc1C ZINC000738504549 599839810 /nfs/dbraw/zinc/83/98/10/599839810.db2.gz WSGKLJAYCMJZJJ-UHFFFAOYSA-N -1 0 343.354 3.742 20 0 EHADRM Cc1ccc(N(Cc2cccs2)C(=O)CCCN(C)C(=O)[O-])cc1 ZINC000738608697 599840816 /nfs/dbraw/zinc/84/08/16/599840816.db2.gz RXOZWGNZYREBNU-UHFFFAOYSA-N -1 0 346.452 3.980 20 0 EHADRM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000319629299 599843749 /nfs/dbraw/zinc/84/37/49/599843749.db2.gz PFOUDQDHYUBWGR-SECBINFHSA-N -1 0 337.734 3.583 20 0 EHADRM CC(C)c1ccc(C2(C(=O)NCCCCC(=O)[O-])CCCC2)cc1 ZINC000736513704 599845919 /nfs/dbraw/zinc/84/59/19/599845919.db2.gz XAYBVNOGZXMXKQ-UHFFFAOYSA-N -1 0 331.456 3.993 20 0 EHADRM CCC[C@@H](NC(=O)CNc1cccc(F)c1C(=O)[O-])c1ccccc1 ZINC000736972481 599856035 /nfs/dbraw/zinc/85/60/35/599856035.db2.gz YGSKTALDBSQBSW-OAHLLOKOSA-N -1 0 344.386 3.593 20 0 EHADRM CC(C)Sc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000262040144 599858801 /nfs/dbraw/zinc/85/88/01/599858801.db2.gz AEVGWRYTVCLMCX-QGZVFWFLSA-N -1 0 343.448 3.613 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)OCc1nc2ccccc2s1 ZINC000740053981 599870559 /nfs/dbraw/zinc/87/05/59/599870559.db2.gz NYXNQUDENMIZTH-UHFFFAOYSA-N -1 0 328.349 3.743 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)CCc1ccsc1 ZINC000676018457 599871910 /nfs/dbraw/zinc/87/19/10/599871910.db2.gz IPKAOGUEETZSJO-UHFFFAOYSA-N -1 0 345.445 3.910 20 0 EHADRM Cc1cccc(C(=O)NCc2c3ccccc3sc2C(=O)[O-])c1O ZINC000738691617 599882154 /nfs/dbraw/zinc/88/21/54/599882154.db2.gz HJDIVKQYPYTYPB-UHFFFAOYSA-N -1 0 341.388 3.544 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)N(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000237014640 599884721 /nfs/dbraw/zinc/88/47/21/599884721.db2.gz JQHGIAUFYBXDJV-NZETUCKYSA-N -1 0 345.439 3.589 20 0 EHADRM CC(C)CCc1ccc(NC(=O)N[C@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000736436196 599892840 /nfs/dbraw/zinc/89/28/40/599892840.db2.gz SEGKIZFCQTZLCU-INIZCTEOSA-N -1 0 333.432 3.539 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)Oc1ccc(C(=O)[O-])cc1OC ZINC000737864230 599895398 /nfs/dbraw/zinc/89/53/98/599895398.db2.gz FYPDVMPETUAFPA-LBPRGKRZSA-N -1 0 344.363 3.501 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)C[C@@H](C)c2ccccc2OC)c1 ZINC000737939367 599896230 /nfs/dbraw/zinc/89/62/30/599896230.db2.gz GCFRDUWCFLLLML-GFCCVEGCSA-N -1 0 344.363 3.501 20 0 EHADRM O=C([O-])C1CCC(NC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)CC1 ZINC000238074784 599899055 /nfs/dbraw/zinc/89/90/55/599899055.db2.gz ONFOQGZSPPDMJY-OTQHQDGKSA-N -1 0 337.419 3.703 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1cccc(NC(=O)[O-])c1)c1ccccc1 ZINC000736357843 599903812 /nfs/dbraw/zinc/90/38/12/599903812.db2.gz BWITZXFQPCVWKY-QGZVFWFLSA-N -1 0 326.396 3.946 20 0 EHADRM O=Cc1cc(C(=O)[O-])ccc1OCc1ccc(Br)cc1 ZINC000740316891 599911532 /nfs/dbraw/zinc/91/15/32/599911532.db2.gz NRXBDDAPOMWCSJ-UHFFFAOYSA-N -1 0 335.153 3.539 20 0 EHADRM Cc1ccc(NC(=O)Cc2csc(C(C)(C)C)n2)c(C(=O)[O-])c1 ZINC000544408334 599913515 /nfs/dbraw/zinc/91/35/15/599913515.db2.gz JTMMIWLWBMKSIN-UHFFFAOYSA-N -1 0 332.425 3.628 20 0 EHADRM CCOc1cc(-c2ccccc2)sc1C(=O)N(CC)CCC(=O)[O-] ZINC000237065828 599913614 /nfs/dbraw/zinc/91/36/14/599913614.db2.gz RTPJICPBCMTETB-UHFFFAOYSA-N -1 0 347.436 3.751 20 0 EHADRM CCC(C)(C)C(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC000736860001 599914548 /nfs/dbraw/zinc/91/45/48/599914548.db2.gz MIKQHIWODQLBAR-UHFFFAOYSA-N -1 0 332.425 3.807 20 0 EHADRM Cc1cc(NC(=O)Cc2ccccc2OC(C)C)ccc1C(=O)[O-] ZINC000236666575 599914817 /nfs/dbraw/zinc/91/48/17/599914817.db2.gz GLJUMMKZCJLMQM-UHFFFAOYSA-N -1 0 327.380 3.662 20 0 EHADRM Cc1cc(NC(=O)CCOc2ccccc2Cl)ccc1C(=O)[O-] ZINC000237700731 599915795 /nfs/dbraw/zinc/91/57/95/599915795.db2.gz ISYIHKQDVGYAQC-UHFFFAOYSA-N -1 0 333.771 3.754 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N(C[C@H](C)C(=O)[O-])C2CC2)c1 ZINC000236737183 599916634 /nfs/dbraw/zinc/91/66/34/599916634.db2.gz RSFHRWYMEQHWPP-LSDHHAIUSA-N -1 0 347.455 3.597 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)CCCc2ccccc2)c1 ZINC000238070644 599921104 /nfs/dbraw/zinc/92/11/04/599921104.db2.gz ZSXKMPLOPCDXFF-UHFFFAOYSA-N -1 0 343.448 3.966 20 0 EHADRM CSc1ccccc1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000345911521 599923250 /nfs/dbraw/zinc/92/32/50/599923250.db2.gz VMFAOHNTMUEYHF-UHFFFAOYSA-N -1 0 347.461 3.979 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)C(F)(F)c1ccccc1)c1ccccc1 ZINC000139406637 599932804 /nfs/dbraw/zinc/93/28/04/599932804.db2.gz OBABXJJVQMWTTD-OAHLLOKOSA-N -1 0 333.334 3.501 20 0 EHADRM Cc1nc2ccccc2cc1C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000738873768 599934687 /nfs/dbraw/zinc/93/46/87/599934687.db2.gz AAUTYYFHFVIICA-IBGZPJMESA-N -1 0 348.402 3.879 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)c1ccc(-n2cccc2)cc1)c1ccccc1 ZINC000739662482 599935658 /nfs/dbraw/zinc/93/56/58/599935658.db2.gz JRXDHHSWXLNTFO-LJQANCHMSA-N -1 0 348.402 3.813 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)NCC2(c3ccc(F)cc3)CCC2)c1 ZINC000740029009 599935817 /nfs/dbraw/zinc/93/58/17/599935817.db2.gz NSGBHBRHXIYNRG-UHFFFAOYSA-N -1 0 342.370 3.767 20 0 EHADRM Cc1ccc(-n2c(SCCC(=O)[O-])nnc2-c2ccccc2)cc1 ZINC000075338561 599943122 /nfs/dbraw/zinc/94/31/22/599943122.db2.gz FTRXUDJATTXJTN-UHFFFAOYSA-N -1 0 339.420 3.810 20 0 EHADRM Cc1ccc(CCCCC(=O)Nc2cccc(C(=O)[O-])c2O)cc1 ZINC000738588829 599950250 /nfs/dbraw/zinc/95/02/50/599950250.db2.gz HMNMZTISGMYPFK-UHFFFAOYSA-N -1 0 327.380 3.750 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)c1nccc2ccccc21)c1ccccc1 ZINC000194553619 599951622 /nfs/dbraw/zinc/95/16/22/599951622.db2.gz OFCKLBBBHTUCQZ-KRWDZBQOSA-N -1 0 334.375 3.571 20 0 EHADRM CCOc1ccc(CNc2nc(Cl)c(C(=O)[O-])s2)cc1F ZINC000737201968 599954522 /nfs/dbraw/zinc/95/45/22/599954522.db2.gz CQMNBDSRANTOKD-UHFFFAOYSA-N -1 0 330.768 3.645 20 0 EHADRM Cc1cc(NCC(=O)Nc2ccccc2C(C)C)ccc1C(=O)[O-] ZINC000738458029 599960636 /nfs/dbraw/zinc/96/06/36/599960636.db2.gz AGXBOQCWHOJDST-UHFFFAOYSA-N -1 0 326.396 3.867 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000736415118 599963061 /nfs/dbraw/zinc/96/30/61/599963061.db2.gz HSPKMSVGFJDZND-MRXNPFEDSA-N -1 0 326.396 3.559 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)OCCCc1c(F)cccc1Cl ZINC000736427344 599966166 /nfs/dbraw/zinc/96/61/66/599966166.db2.gz SBIYQDAQQHTYRU-AWEZNQCLSA-N -1 0 345.798 3.637 20 0 EHADRM CCN(C(=O)c1ccc(C(=O)[O-])s1)[C@H](C)Cc1ccc(OC)cc1 ZINC000237040089 599976211 /nfs/dbraw/zinc/97/62/11/599976211.db2.gz YIXQGXNKQLGMKN-GFCCVEGCSA-N -1 0 347.436 3.548 20 0 EHADRM Cc1ccc(CNC(=O)Nc2cccc(CSCC(=O)[O-])c2)cc1 ZINC000738601153 599987820 /nfs/dbraw/zinc/98/78/20/599987820.db2.gz ANNCLEXZLLJMMN-UHFFFAOYSA-N -1 0 344.436 3.635 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CCCCCc1cccs1)c1ccccc1 ZINC000237986152 599996354 /nfs/dbraw/zinc/99/63/54/599996354.db2.gz CQIFFKHOGJOXBE-KRWDZBQOSA-N -1 0 331.437 3.793 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000238045085 599997164 /nfs/dbraw/zinc/99/71/64/599997164.db2.gz SIZKHKWWKXAMSP-LSDHHAIUSA-N -1 0 345.345 3.724 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2ccc3c(c2)CCCC3)c1 ZINC000392515474 599998538 /nfs/dbraw/zinc/99/85/38/599998538.db2.gz MUIKZNXHDFNJSO-UHFFFAOYSA-N -1 0 325.364 3.525 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)CCc2ccc(C)cc2C)c1 ZINC000737935479 599999307 /nfs/dbraw/zinc/99/93/07/599999307.db2.gz RECGXOMWVUXDNN-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)C[C@@H](C)c2ccc(F)cc2)c1 ZINC000737934369 600001701 /nfs/dbraw/zinc/00/17/01/600001701.db2.gz ADBIGWNCONZIAK-LLVKDONJSA-N -1 0 331.343 3.665 20 0 EHADRM COCCC(=O)Nc1cc(-c2ccccc2Cl)sc1C(=O)[O-] ZINC000737754997 600008952 /nfs/dbraw/zinc/00/89/52/600008952.db2.gz VRXGNCQATCZBDA-UHFFFAOYSA-N -1 0 339.800 3.742 20 0 EHADRM Cc1ccc(NC(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)cc1 ZINC000738627535 600011635 /nfs/dbraw/zinc/01/16/35/600011635.db2.gz QJYNZVSKFILQSF-UHFFFAOYSA-N -1 0 325.368 3.675 20 0 EHADRM CSc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000738211470 600012253 /nfs/dbraw/zinc/01/22/53/600012253.db2.gz INUGLVCWHFEAIY-UHFFFAOYSA-N -1 0 330.409 3.737 20 0 EHADRM Cc1cc(NC(=O)N[C@H](C)Cc2ccccc2F)ccc1C(=O)[O-] ZINC000738443212 600012735 /nfs/dbraw/zinc/01/27/35/600012735.db2.gz VPGDVXFTVPEQCW-GFCCVEGCSA-N -1 0 330.359 3.585 20 0 EHADRM Cc1ccccc1C[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000738767843 600013725 /nfs/dbraw/zinc/01/37/25/600013725.db2.gz KTDMCUFIVYZPGU-CQSZACIVSA-N -1 0 326.396 3.754 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 ZINC000238079261 600020796 /nfs/dbraw/zinc/02/07/96/600020796.db2.gz GZYNMIDSINQSAQ-NSHDSACASA-N -1 0 333.771 3.537 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000739889278 600028267 /nfs/dbraw/zinc/02/82/67/600028267.db2.gz MJMZCRDZRFAKCU-NEPJUHHUSA-N -1 0 330.302 3.588 20 0 EHADRM CCCCOc1ccccc1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263454117 600028895 /nfs/dbraw/zinc/02/88/95/600028895.db2.gz BLOXHZJXPQZSRL-UHFFFAOYSA-N -1 0 334.416 3.630 20 0 EHADRM Cc1nc2ccc(NC(=O)CCc3ccc(C(=O)[O-])cc3)cc2s1 ZINC000432135828 600033240 /nfs/dbraw/zinc/03/32/40/600033240.db2.gz MKQQJKHHFAWCDO-UHFFFAOYSA-N -1 0 340.404 3.874 20 0 EHADRM CCc1cccc(NC(=S)N2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000737270352 600033975 /nfs/dbraw/zinc/03/39/75/600033975.db2.gz QMXSIINLNMLANT-UHFFFAOYSA-N -1 0 326.421 3.660 20 0 EHADRM COc1ccccc1C/C(C)=C/C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000128687240 600034332 /nfs/dbraw/zinc/03/43/32/600034332.db2.gz OOYGEFOIPHUMLY-ACCUITESSA-N -1 0 339.391 3.829 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=S)Nc1cccc(Cl)c1)C2 ZINC000740201923 600034357 /nfs/dbraw/zinc/03/43/57/600034357.db2.gz BQJNLRUDYNEGST-UHFFFAOYSA-N -1 0 332.812 3.751 20 0 EHADRM COc1cccc([C@@H]2C[C@H]2C(=O)Oc2ccc(C(=O)[O-])cc2Cl)c1 ZINC000738096599 600035653 /nfs/dbraw/zinc/03/56/53/600035653.db2.gz QRGMWOWDKZAHKO-UONOGXRCSA-N -1 0 346.766 3.756 20 0 EHADRM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(Cl)cc2)cc1F ZINC000346302238 600036468 /nfs/dbraw/zinc/03/64/68/600036468.db2.gz HNTNLRAQSQASRH-INIZCTEOSA-N -1 0 347.773 3.835 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)NCc2cccc3ccccc32)cc1 ZINC000238067761 600037900 /nfs/dbraw/zinc/03/79/00/600037900.db2.gz YPEJIXQVEXVRFB-UHFFFAOYSA-N -1 0 333.387 3.787 20 0 EHADRM COc1cccc([C@H]2C[C@H]2C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)c1 ZINC000738098067 600038945 /nfs/dbraw/zinc/03/89/45/600038945.db2.gz YJHGBECPPSSVAB-IAGOWNOFSA-N -1 0 340.379 3.552 20 0 EHADRM Cc1cccc(C2(C(=O)N3Cc4ccc(C(=O)[O-])cc4C3)CCC2)c1 ZINC000326963506 600041903 /nfs/dbraw/zinc/04/19/03/600041903.db2.gz QUUAKMXJBIHPOM-UHFFFAOYSA-N -1 0 335.403 3.657 20 0 EHADRM Cc1ccc(SCCC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000326096337 600047089 /nfs/dbraw/zinc/04/70/89/600047089.db2.gz BQKCAAQSJIGMAB-UHFFFAOYSA-N -1 0 341.432 3.718 20 0 EHADRM CC(C)(C)c1ccc(/C=C\C(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000736297409 600048402 /nfs/dbraw/zinc/04/84/02/600048402.db2.gz FQFRCIYIJIOZOP-MLPAPPSSSA-N -1 0 329.440 3.757 20 0 EHADRM O=C([O-])C1CCC(NC(=O)CCc2ccc(-c3ccccc3)o2)CC1 ZINC000507318932 600049716 /nfs/dbraw/zinc/04/97/16/600049716.db2.gz OADMTMLTRVNQGP-UHFFFAOYSA-N -1 0 341.407 3.639 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000262202218 600052031 /nfs/dbraw/zinc/05/20/31/600052031.db2.gz SJCCEWUSMORWBA-UQPPLGOBSA-N -1 0 347.455 3.645 20 0 EHADRM O=C([O-])c1ccc(CSc2nnc(Cc3cccs3)o2)cc1 ZINC000740135031 600056661 /nfs/dbraw/zinc/05/66/61/600056661.db2.gz KDWYISQTXBFLGS-UHFFFAOYSA-N -1 0 332.406 3.712 20 0 EHADRM CCSc1nnc(SCc2ccc(F)cc2C(=O)[O-])s1 ZINC000737230414 600057947 /nfs/dbraw/zinc/05/79/47/600057947.db2.gz XGABXADNJGKREG-UHFFFAOYSA-N -1 0 330.431 3.780 20 0 EHADRM Cc1[nH]c(C(=O)N2CCC(c3ccccc3C)CC2)c(C)c1C(=O)[O-] ZINC000738325974 600061046 /nfs/dbraw/zinc/06/10/46/600061046.db2.gz XIQBARHLYSNMCH-UHFFFAOYSA-N -1 0 340.423 3.658 20 0 EHADRM Cc1cc(C(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)ccc1F ZINC000738338896 600061258 /nfs/dbraw/zinc/06/12/58/600061258.db2.gz LQJFOGUZUJHJKL-UHFFFAOYSA-N -1 0 345.355 3.536 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccccc1SCc1ccccc1 ZINC000739553019 600062621 /nfs/dbraw/zinc/06/26/21/600062621.db2.gz LEZHPHZNOQRJJQ-UONOGXRCSA-N -1 0 327.405 3.638 20 0 EHADRM CC/C(=C\C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000736834816 600062703 /nfs/dbraw/zinc/06/27/03/600062703.db2.gz JVNQQXWYSDFALK-QIXNEVBVSA-N -1 0 341.382 3.951 20 0 EHADRM CC[C@@H](CC(=O)Nc1ccc(OC)cc1C(=O)[O-])c1ccccc1 ZINC000736893026 600063014 /nfs/dbraw/zinc/06/30/14/600063014.db2.gz SGNFEDZWJLMKKP-ZDUSSCGKSA-N -1 0 327.380 3.916 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000485631837 600063936 /nfs/dbraw/zinc/06/39/36/600063936.db2.gz BTGJSXLZGPAMLG-QWHCGFSZSA-N -1 0 331.755 3.792 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000238213943 600067498 /nfs/dbraw/zinc/06/74/98/600067498.db2.gz IXKWNOVQRCHYJV-UHFFFAOYSA-N -1 0 333.384 3.786 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)c2ccccc2F)c1 ZINC000238214094 600067746 /nfs/dbraw/zinc/06/77/46/600067746.db2.gz VVZZQEXJTMOZFA-UHFFFAOYSA-N -1 0 333.384 3.786 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1cc3cc(Cl)ccc3[nH]1)C2 ZINC000740201251 600072811 /nfs/dbraw/zinc/07/28/11/600072811.db2.gz WQQQLOLANWFRNA-UHFFFAOYSA-N -1 0 340.766 3.676 20 0 EHADRM CC(C)c1ccc(NC(=O)c2cc(-c3ccco3)[nH]n2)c(C(=O)[O-])c1 ZINC000736514888 600074624 /nfs/dbraw/zinc/07/46/24/600074624.db2.gz DRFSUFMJBDPLPN-UHFFFAOYSA-N -1 0 339.351 3.744 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)cc1 ZINC000737229841 600075646 /nfs/dbraw/zinc/07/56/46/600075646.db2.gz RGLAQEHAKOGLDZ-NSHDSACASA-N -1 0 346.452 3.933 20 0 EHADRM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1ccccc1Oc1ccc(Cl)cc1 ZINC000739552677 600077488 /nfs/dbraw/zinc/07/74/88/600077488.db2.gz JQNMENZZYFMYCU-OLZOCXBDSA-N -1 0 331.755 3.792 20 0 EHADRM CCCOc1ccc(OCCN2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000326912378 600080500 /nfs/dbraw/zinc/08/05/00/600080500.db2.gz NCDCGGXAUCAQKD-UHFFFAOYSA-N -1 0 341.407 3.568 20 0 EHADRM Cn1c(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc(Cl)c1Cl ZINC000739013055 600088017 /nfs/dbraw/zinc/08/80/17/600088017.db2.gz UYXDOIOPKWQEFL-UHFFFAOYSA-N -1 0 346.145 3.813 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)CCc2nc3ccccc3o2)ccc1F ZINC000740007281 600089603 /nfs/dbraw/zinc/08/96/03/600089603.db2.gz WELCQVNEHJMAAZ-UHFFFAOYSA-N -1 0 343.314 3.628 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2cc(-c3ccccc3)on2)ccc1F ZINC000740009133 600089612 /nfs/dbraw/zinc/08/96/12/600089612.db2.gz ZFAJGGOLBFSYQW-UHFFFAOYSA-N -1 0 341.298 3.823 20 0 EHADRM Cc1ccccc1S(=O)(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC000738785873 600097787 /nfs/dbraw/zinc/09/77/87/600097787.db2.gz OHWNOWNBNSIUGP-UHFFFAOYSA-N -1 0 333.409 3.617 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000740079273 600115208 /nfs/dbraw/zinc/11/52/08/600115208.db2.gz NNLZLXWMZIAKHZ-ONGXEEELSA-N -1 0 348.292 3.936 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N[C@@H]2CCc3ccc(F)cc32)ccc1F ZINC000740004457 600115559 /nfs/dbraw/zinc/11/55/59/600115559.db2.gz BWLQUFVFLDBVQC-CQSZACIVSA-N -1 0 347.321 3.864 20 0 EHADRM CC(C)Oc1cccc(CC(=O)OCc2ccc(F)cc2C(=O)[O-])c1 ZINC000736494954 600116715 /nfs/dbraw/zinc/11/67/15/600116715.db2.gz SKBUGFDXBBEXQI-UHFFFAOYSA-N -1 0 346.354 3.597 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2cc(-c3cccs3)on2)ccc1F ZINC000740009022 600123477 /nfs/dbraw/zinc/12/34/77/600123477.db2.gz VMBAZVPJTIUBLF-UHFFFAOYSA-N -1 0 347.327 3.884 20 0 EHADRM CC[C@@](NC(=O)[C@@H](C)Cc1cccc(F)c1)(C(=O)[O-])c1ccccc1 ZINC000485370297 600127972 /nfs/dbraw/zinc/12/79/72/600127972.db2.gz DCMCTGKJSDERNL-XOBRGWDASA-N -1 0 343.398 3.511 20 0 EHADRM O=C([O-])c1cccc(OCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000013419209 600128178 /nfs/dbraw/zinc/12/81/78/600128178.db2.gz BHANAZUVORVZNX-UHFFFAOYSA-N -1 0 330.727 3.667 20 0 EHADRM CC[C@](NC(=O)[C@H]1CCCc2ccccc21)(C(=O)[O-])c1ccccc1 ZINC000485384616 600128675 /nfs/dbraw/zinc/12/86/75/600128675.db2.gz PGJRICPKGFWSBK-GHTZIAJQSA-N -1 0 337.419 3.613 20 0 EHADRM CC[C@@](NC(=O)c1cccc(C(F)F)c1)(C(=O)[O-])c1ccccc1 ZINC000736918861 600132048 /nfs/dbraw/zinc/13/20/48/600132048.db2.gz BFVCLOAKTCSOIV-SFHVURJKSA-N -1 0 333.334 3.744 20 0 EHADRM Cc1cc(C)c(C)c(OCCC(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000738355664 600143123 /nfs/dbraw/zinc/14/31/23/600143123.db2.gz KWWNCLJFIPOMPI-UHFFFAOYSA-N -1 0 327.380 3.718 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1sccc1SC(F)F)c1ccccc1 ZINC000739375328 600146543 /nfs/dbraw/zinc/14/65/43/600146543.db2.gz ZJUDDNKKLYFMHO-SNVBAGLBSA-N -1 0 343.376 3.619 20 0 EHADRM CCOc1ccc(NC(=S)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000737202892 600148893 /nfs/dbraw/zinc/14/88/93/600148893.db2.gz IQFRYLFMJVVXMD-UHFFFAOYSA-N -1 0 344.436 3.911 20 0 EHADRM C[C@H](NC(=S)Nc1ccc(CCC(=O)[O-])cc1)c1ccccc1 ZINC000736660355 600149158 /nfs/dbraw/zinc/14/91/58/600149158.db2.gz IBDQYZFROXBLBI-ZDUSSCGKSA-N -1 0 328.437 3.751 20 0 EHADRM O=C([O-])c1c(NC(=O)[C@H]2CCc3ccccc32)sc2c1CCCC2 ZINC000740068815 600152611 /nfs/dbraw/zinc/15/26/11/600152611.db2.gz MLUKBDRFMMOIRY-ZDUSSCGKSA-N -1 0 341.432 3.994 20 0 EHADRM Cc1ccc([C@H](CNC(=O)C[C@@H](C)c2ccc(F)cc2)C(=O)[O-])cc1 ZINC000486386522 600154263 /nfs/dbraw/zinc/15/42/63/600154263.db2.gz LCQFBFUPHFDTHA-KDOFPFPSSA-N -1 0 343.398 3.612 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)NC[C@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000486385540 600163625 /nfs/dbraw/zinc/16/36/25/600163625.db2.gz HZWVGGBCEVISRY-BEFAXECRSA-N -1 0 339.435 3.646 20 0 EHADRM CC(C)[C@@H](SCc1ccccc1)C(=O)OCc1occc1C(=O)[O-] ZINC000736389863 600164205 /nfs/dbraw/zinc/16/42/05/600164205.db2.gz FZADXXFAWFQBRZ-MRXNPFEDSA-N -1 0 348.420 3.979 20 0 EHADRM Cc1cc(NC(=O)c2oc3c(c2C)c(C)ccc3C)c(C(=O)[O-])[nH]1 ZINC000738452751 600169961 /nfs/dbraw/zinc/16/99/61/600169961.db2.gz RXWHPQFTGIFHHI-UHFFFAOYSA-N -1 0 326.352 3.945 20 0 EHADRM Cc1[nH]c(C(=O)N(Cc2ccccc2)[C@H](C)C2CC2)c(C)c1C(=O)[O-] ZINC000738237448 600170759 /nfs/dbraw/zinc/17/07/59/600170759.db2.gz PXVBXVNJGVNLCV-CQSZACIVSA-N -1 0 340.423 3.771 20 0 EHADRM Cc1ccc([C@H](CNC(=O)Nc2ccc(C)cc2Cl)C(=O)[O-])cc1 ZINC000738557929 600176550 /nfs/dbraw/zinc/17/65/50/600176550.db2.gz ACRQMBVQRUKDKZ-AWEZNQCLSA-N -1 0 346.814 3.947 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)Nc1cc(C(=O)[O-])ccc1F)C(C)C ZINC000738784892 600181586 /nfs/dbraw/zinc/18/15/86/600181586.db2.gz BJPGORCUMIIKDJ-OAHLLOKOSA-N -1 0 345.374 3.746 20 0 EHADRM CCc1ccc(OCc2noc(CCCC(=O)[O-])n2)c(C(C)(C)C)c1 ZINC000737266995 600186476 /nfs/dbraw/zinc/18/64/76/600186476.db2.gz ABHPEIMQUDLOHA-UHFFFAOYSA-N -1 0 346.427 3.916 20 0 EHADRM O=C([O-])CCc1nc(CSCc2c(Cl)cccc2Cl)no1 ZINC000739771837 600187748 /nfs/dbraw/zinc/18/77/48/600187748.db2.gz LOHIGFZAKIGKMC-UHFFFAOYSA-N -1 0 347.223 3.827 20 0 EHADRM CSc1ccc(C)c(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000738211934 600197005 /nfs/dbraw/zinc/19/70/05/600197005.db2.gz MOBRHNPWEWBSSO-INIZCTEOSA-N -1 0 329.421 3.615 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1ccccc1 ZINC000739783638 600198065 /nfs/dbraw/zinc/19/80/65/600198065.db2.gz FMSZOMQOMMLWAQ-UHFFFAOYSA-N -1 0 348.402 3.778 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)c(F)c1 ZINC000479560836 600198373 /nfs/dbraw/zinc/19/83/73/600198373.db2.gz ZVJMFOWQJIDMCE-QWRGUYRKSA-N -1 0 335.281 3.544 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1ccc(-c3ccccc3)[nH]1)C2 ZINC000740200610 600202936 /nfs/dbraw/zinc/20/29/36/600202936.db2.gz GDNSRRLSFYESRV-UHFFFAOYSA-N -1 0 332.359 3.536 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NCc2nc(Cc3ccccc3)no2)c1 ZINC000740072972 600207604 /nfs/dbraw/zinc/20/76/04/600207604.db2.gz YWVMZSQFVXJUKQ-UHFFFAOYSA-N -1 0 343.770 3.624 20 0 EHADRM Cc1ccc(NC(=O)CNc2cc(Cl)cc(C(=O)[O-])c2)c(F)c1 ZINC000738622230 600207885 /nfs/dbraw/zinc/20/78/85/600207885.db2.gz QPTRQVYFFFBLTA-UHFFFAOYSA-N -1 0 336.750 3.536 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)c(F)c1 ZINC000479403605 600207887 /nfs/dbraw/zinc/20/78/87/600207887.db2.gz BKMPUTZLIGETIF-VHSXEESVSA-N -1 0 335.281 3.544 20 0 EHADRM CN(Cc1csc(-c2ccoc2)n1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737497047 600210580 /nfs/dbraw/zinc/21/05/80/600210580.db2.gz RHCZNELKYNBFCV-OAHLLOKOSA-N -1 0 328.393 3.661 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)OCc1ccccc1Oc1ccccc1 ZINC000736385463 600210844 /nfs/dbraw/zinc/21/08/44/600210844.db2.gz PHMYGISBZAAZNF-KRWDZBQOSA-N -1 0 343.379 3.814 20 0 EHADRM CC(C)[C@@H](NC(=O)[O-])C(=O)OCc1ccccc1Oc1ccccc1 ZINC000736385464 600210846 /nfs/dbraw/zinc/21/08/46/600210846.db2.gz PHMYGISBZAAZNF-QGZVFWFLSA-N -1 0 343.379 3.814 20 0 EHADRM Cc1oc(-c2cccs2)nc1CN(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000738955192 600211276 /nfs/dbraw/zinc/21/12/76/600211276.db2.gz CSPZYNPWYRBJJA-INIZCTEOSA-N -1 0 342.420 3.969 20 0 EHADRM Cc1cc(CN2CCSC[C@@H]2c2ccc(C)cc2)oc1C(=O)[O-] ZINC000563280504 600217730 /nfs/dbraw/zinc/21/77/30/600217730.db2.gz WDQOPYKBNXDDQV-MRXNPFEDSA-N -1 0 331.437 3.885 20 0 EHADRM O=C([O-])c1occc1CN1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000578875163 600217872 /nfs/dbraw/zinc/21/78/72/600217872.db2.gz JTWHCMMLKQROMW-CQSZACIVSA-N -1 0 337.828 3.921 20 0 EHADRM COC(=O)Nc1ccc(NC(=O)Nc2cccc(NC(=O)[O-])c2)cc1 ZINC000737643356 600229422 /nfs/dbraw/zinc/22/94/22/600229422.db2.gz NIAPNSOWQTZOIU-UHFFFAOYSA-N -1 0 344.327 3.599 20 0 EHADRM C[C@H](CC(=O)OCCOc1cccc(C(=O)[O-])c1)c1cccc(F)c1 ZINC000736555176 600237719 /nfs/dbraw/zinc/23/77/19/600237719.db2.gz BXWSZFOITQYBOF-CYBMUJFWSA-N -1 0 346.354 3.640 20 0 EHADRM Cc1ccc(CCNC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000738593275 600240321 /nfs/dbraw/zinc/24/03/21/600240321.db2.gz WOIMKMOKRIKDAO-UHFFFAOYSA-N -1 0 332.787 3.711 20 0 EHADRM Cc1ccc2oc(SCC(=O)Nc3ccc(C(=O)[O-])cc3)nc2c1 ZINC000738308431 600247550 /nfs/dbraw/zinc/24/75/50/600247550.db2.gz IWLVYGSQSLCXHG-UHFFFAOYSA-N -1 0 342.376 3.565 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)Oc1c(OC)cccc1C(=O)[O-] ZINC000738122252 600247968 /nfs/dbraw/zinc/24/79/68/600247968.db2.gz XUJHLKAYZPVIOH-GFCCVEGCSA-N -1 0 344.363 3.501 20 0 EHADRM O=C([O-])CSCCC(=O)O[C@@H]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000739854432 600250530 /nfs/dbraw/zinc/25/05/30/600250530.db2.gz XNLRGFLSZFLJOW-HUUCEWRRSA-N -1 0 340.416 3.603 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C[C@@H](C)n1cccc1 ZINC000531749259 600255872 /nfs/dbraw/zinc/25/58/72/600255872.db2.gz NGEXQDZTCGCNAC-CYBMUJFWSA-N -1 0 330.384 3.563 20 0 EHADRM C[C@H](CC(=O)[O-])Sc1cc(C(F)(F)F)nc(-c2cccnc2)n1 ZINC000736557410 600259684 /nfs/dbraw/zinc/25/96/84/600259684.db2.gz SGUBJBTXXZCBMM-MRVPVSSYSA-N -1 0 343.330 3.513 20 0 EHADRM CCO[C@@H](C)c1nc(CN[C@](CC)(C(=O)[O-])c2ccccc2)cs1 ZINC000737156734 600261683 /nfs/dbraw/zinc/26/16/83/600261683.db2.gz FXBKPHKETPZUCQ-UGSOOPFHSA-N -1 0 348.468 3.720 20 0 EHADRM O=C([O-])c1ccc(C(=O)OCCCc2cccc3ccccc32)cn1 ZINC000740297361 600269821 /nfs/dbraw/zinc/26/98/21/600269821.db2.gz FDECWBZIDMTXCQ-UHFFFAOYSA-N -1 0 335.359 3.723 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000262466928 600275289 /nfs/dbraw/zinc/27/52/89/600275289.db2.gz RMOICYCEJOIFER-CYBMUJFWSA-N -1 0 347.411 3.676 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)NC2(c3ccccc3F)CC2)ccc1F ZINC000740004406 600277773 /nfs/dbraw/zinc/27/77/73/600277773.db2.gz AQRICNCCTDYNGN-UHFFFAOYSA-N -1 0 347.321 3.866 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(C(=O)c1ccc3c(c1)-c1ccccc1C3)CC2 ZINC000739533666 600278627 /nfs/dbraw/zinc/27/86/27/600278627.db2.gz OQYCUZKKDIJHMP-IBGZPJMESA-N -1 0 347.414 3.585 20 0 EHADRM Cc1ccc(C)c(NC(=S)Nc2ccc(CNC(=O)[O-])cc2)c1 ZINC000738575039 600279761 /nfs/dbraw/zinc/27/97/61/600279761.db2.gz WPTQOVQAVIAJPL-UHFFFAOYSA-N -1 0 329.425 3.880 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)NCc2cc3ccccc3[nH]2)c1 ZINC000739436960 600281372 /nfs/dbraw/zinc/28/13/72/600281372.db2.gz XMWQCHAHSGWJBX-UHFFFAOYSA-N -1 0 343.770 3.841 20 0 EHADRM CC[C@H](C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)c1ccccc1 ZINC000736847469 600281917 /nfs/dbraw/zinc/28/19/17/600281917.db2.gz KPIQHDDZSUTBLE-KRWDZBQOSA-N -1 0 326.396 3.929 20 0 EHADRM Cc1ccc(CC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cc1C ZINC000738584090 600282206 /nfs/dbraw/zinc/28/22/06/600282206.db2.gz DWAAXQPUEZGDER-UHFFFAOYSA-N -1 0 326.396 3.594 20 0 EHADRM CSc1ccsc1C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000738210246 600284037 /nfs/dbraw/zinc/28/40/37/600284037.db2.gz RBCRGLYPUBUQTE-UHFFFAOYSA-N -1 0 336.438 3.832 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736622231 600288745 /nfs/dbraw/zinc/28/87/45/600288745.db2.gz LXMDKBUWXZZCGL-ZDUSSCGKSA-N -1 0 344.386 3.753 20 0 EHADRM CCSCc1ccc(C(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000737230719 600291521 /nfs/dbraw/zinc/29/15/21/600291521.db2.gz BHKDNFFFJLBALL-UHFFFAOYSA-N -1 0 344.436 3.960 20 0 EHADRM C/C(=C/C(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000736121442 600295761 /nfs/dbraw/zinc/29/57/61/600295761.db2.gz QSPGAVYGRSIKGG-BENRWUELSA-N -1 0 328.343 3.635 20 0 EHADRM CC(C)N(Cc1noc(CCCC(=O)[O-])n1)c1ccc(Cl)cc1 ZINC000736474291 600296541 /nfs/dbraw/zinc/29/65/41/600296541.db2.gz JHKROPGOQJSYMO-UHFFFAOYSA-N -1 0 337.807 3.545 20 0 EHADRM Cc1ccc(OCC(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)c(C)c1 ZINC000738637965 600320530 /nfs/dbraw/zinc/32/05/30/600320530.db2.gz CFJGGJOZLSYEFC-QGZVFWFLSA-N -1 0 348.782 3.705 20 0 EHADRM COc1ccc(CCC(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000737986481 600320655 /nfs/dbraw/zinc/32/06/55/600320655.db2.gz AVAUGLYQQJZQKR-KRWDZBQOSA-N -1 0 348.782 3.650 20 0 EHADRM Cc1ccc(C)c(OCC(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000738576899 600324575 /nfs/dbraw/zinc/32/45/75/600324575.db2.gz JIABUIRPLASUQL-QGZVFWFLSA-N -1 0 348.782 3.705 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000736625158 600329363 /nfs/dbraw/zinc/32/93/63/600329363.db2.gz CTFCRYGVQLPYAV-WBMJQRKESA-N -1 0 332.783 3.888 20 0 EHADRM CCN(CC)c1ccc(C(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000737088262 600331098 /nfs/dbraw/zinc/33/10/98/600331098.db2.gz IYURYDSVAOEDKS-UHFFFAOYSA-N -1 0 341.411 3.553 20 0 EHADRM C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1Cc1ccc(F)cc1C(=O)[O-] ZINC000736823548 600331613 /nfs/dbraw/zinc/33/16/13/600331613.db2.gz XMAYCBBEMWJTQN-LPMFXHHGSA-N -1 0 343.398 3.874 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)NCc2cccc3ccccc32)cc1 ZINC000739992241 600352097 /nfs/dbraw/zinc/35/20/97/600352097.db2.gz RJZNGYIDTSZZDF-UHFFFAOYSA-N -1 0 349.390 3.929 20 0 EHADRM CCN(Cc1cccs1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737108175 600354334 /nfs/dbraw/zinc/35/43/34/600354334.db2.gz PSOXRHTVAGWSSN-UHFFFAOYSA-N -1 0 333.413 3.570 20 0 EHADRM C[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736718042 600355369 /nfs/dbraw/zinc/35/53/69/600355369.db2.gz QIVKZLBPQZIEJF-GFCCVEGCSA-N -1 0 345.374 3.818 20 0 EHADRM CC(C)[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(CNC(=O)[O-])cc2)C1 ZINC000736393765 600357463 /nfs/dbraw/zinc/35/74/63/600357463.db2.gz ADPPWWDLQZVFSL-GDBMZVCRSA-N -1 0 333.432 3.791 20 0 EHADRM Cc1cc(NC(=O)c2ccccc2N2CCCCC2)sc1C(=O)[O-] ZINC000738241665 600368986 /nfs/dbraw/zinc/36/89/86/600368986.db2.gz YHENIAUWVKZJSM-UHFFFAOYSA-N -1 0 344.436 3.997 20 0 EHADRM COc1ccccc1CC(C)(C)C(=O)Nc1cc(C)c(C(=O)[O-])s1 ZINC000738123399 600369492 /nfs/dbraw/zinc/36/94/92/600369492.db2.gz GKGOGQXIMVQNKC-UHFFFAOYSA-N -1 0 347.436 3.971 20 0 EHADRM Cc1cc(COc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c2ccccc2n1 ZINC000327472654 600377360 /nfs/dbraw/zinc/37/73/60/600377360.db2.gz UTISXKADFLKZLZ-UHFFFAOYSA-N -1 0 338.319 3.729 20 0 EHADRM CC(C)(C)c1nnc(S[C@@H](C(=O)[O-])c2cccc(Cl)c2)o1 ZINC000736307189 600378767 /nfs/dbraw/zinc/37/87/67/600378767.db2.gz PVMYKSRGGRABNK-SNVBAGLBSA-N -1 0 326.805 3.939 20 0 EHADRM CCCc1nc(C)c(C(=O)N(c2ccccc2)[C@H](CC)C(=O)[O-])s1 ZINC000737050381 600378981 /nfs/dbraw/zinc/37/89/81/600378981.db2.gz IIQYSVXJASVYFR-CQSZACIVSA-N -1 0 346.452 3.914 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)CSc1ccccc1C)c1ccccc1 ZINC000736853102 600380561 /nfs/dbraw/zinc/38/05/61/600380561.db2.gz SEIAOGAOAUCLKV-INIZCTEOSA-N -1 0 343.448 3.984 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)/C=C\c1ccnc2ccccc12 ZINC000737865952 600380771 /nfs/dbraw/zinc/38/07/71/600380771.db2.gz LSIGQWPNBNWLIG-CLFYSBASSA-N -1 0 349.342 3.560 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@@H](C)c1ccc(OC)cc1)c1ccccc1 ZINC000736847519 600384623 /nfs/dbraw/zinc/38/46/23/600384623.db2.gz LJJJREKUIXSNIM-KBXCAEBGSA-N -1 0 341.407 3.695 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CCC[C@@H]2c2ccccc2)ccc1F ZINC000740090495 600384733 /nfs/dbraw/zinc/38/47/33/600384733.db2.gz RESQHFBAIMQPPO-MRXNPFEDSA-N -1 0 328.343 3.893 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)/C=C\c1ccc(OC)cc1)c1ccccc1 ZINC000736849223 600385728 /nfs/dbraw/zinc/38/57/28/600385728.db2.gz QCJPXMZQJQSELF-RMHQSFGDSA-N -1 0 339.391 3.605 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@H](c2cccs2)C2CC2)ccc1F ZINC000739470789 600386202 /nfs/dbraw/zinc/38/62/02/600386202.db2.gz GDQDLUWDUOVELI-AWEZNQCLSA-N -1 0 334.372 3.858 20 0 EHADRM CCc1ccc([C@H](C)C(=O)NCCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000737256807 600387051 /nfs/dbraw/zinc/38/70/51/600387051.db2.gz JYTMJVRCHDDISZ-AWEZNQCLSA-N -1 0 340.423 3.801 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)CCc2ccc(Cl)cc2)cc1 ZINC000740016139 600388352 /nfs/dbraw/zinc/38/83/52/600388352.db2.gz CWMKJKMJMNTHNP-UHFFFAOYSA-N -1 0 346.814 3.721 20 0 EHADRM CCc1ccc([C@H]2CCCN2C(=O)c2cccc(NC(=O)[O-])c2)o1 ZINC000737259627 600390047 /nfs/dbraw/zinc/39/00/47/600390047.db2.gz VUZNXLRAMMMXPH-OAHLLOKOSA-N -1 0 328.368 3.909 20 0 EHADRM Cc1ncsc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000237657675 600390908 /nfs/dbraw/zinc/39/09/08/600390908.db2.gz NNKGPYIWFUIFJG-AWEZNQCLSA-N -1 0 346.452 3.695 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCC2(c3ccccc3)CCC2)c(F)c1 ZINC000739406985 600398979 /nfs/dbraw/zinc/39/89/79/600398979.db2.gz MMBRBIJQLRUVNJ-UHFFFAOYSA-N -1 0 342.370 3.767 20 0 EHADRM CC[C@@H](CC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccc(C)cc1 ZINC000262505166 600400142 /nfs/dbraw/zinc/40/01/42/600400142.db2.gz ZGUMKNWWEHRHLN-DOTOQJQBSA-N -1 0 329.440 3.592 20 0 EHADRM CC[C@](C)(NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1)C(=O)[O-] ZINC000736861640 600407094 /nfs/dbraw/zinc/40/70/94/600407094.db2.gz RGEAQSKUXPIHBA-KRWDZBQOSA-N -1 0 348.786 3.510 20 0 EHADRM CCC[C@@H](CC)NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736971948 600407291 /nfs/dbraw/zinc/40/72/91/600407291.db2.gz WLYTXRPKVGIGTE-SNVBAGLBSA-N -1 0 330.331 3.686 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000236838575 600415864 /nfs/dbraw/zinc/41/58/64/600415864.db2.gz XPGWUUNFUGPWPY-SJORKVTESA-N -1 0 325.408 3.703 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NC(C)(C)CCC(=O)[O-] ZINC000236724182 600417619 /nfs/dbraw/zinc/41/76/19/600417619.db2.gz NGULBKZZNIJKQY-CQSZACIVSA-N -1 0 335.444 3.645 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000236835735 600417718 /nfs/dbraw/zinc/41/77/18/600417718.db2.gz DNNRAZCVOSALTD-NWDGAFQWSA-N -1 0 344.238 3.857 20 0 EHADRM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NC(C)(C)CCC(=O)[O-] ZINC000237433213 600418468 /nfs/dbraw/zinc/41/84/68/600418468.db2.gz AMTFXJHBIQKOBY-SECBINFHSA-N -1 0 348.226 3.520 20 0 EHADRM CC(C)Cn1cc(C(=O)NC(C)(C)CCC(=O)[O-])c2ccccc21 ZINC000362476999 600418484 /nfs/dbraw/zinc/41/84/84/600418484.db2.gz PKIUFILBMALHAL-UHFFFAOYSA-N -1 0 330.428 3.671 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000736627567 600425075 /nfs/dbraw/zinc/42/50/75/600425075.db2.gz SQLHZGWPGCVMBY-LLVKDONJSA-N -1 0 329.421 3.752 20 0 EHADRM Cc1cc(N[C@@H](C(=O)[O-])c2ccc(F)cc2)ccc1C(=O)NC(C)C ZINC000738452382 600435630 /nfs/dbraw/zinc/43/56/30/600435630.db2.gz NDWKAPVCCNNWDP-QGZVFWFLSA-N -1 0 344.386 3.510 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)C[C@H]1CCc2ccccc2C1 ZINC000738964334 600437493 /nfs/dbraw/zinc/43/74/93/600437493.db2.gz SVBGMDMTBMPWEH-ZDUSSCGKSA-N -1 0 328.364 3.525 20 0 EHADRM CCS[C@H]1CCCCN(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)C1 ZINC000737230650 600438062 /nfs/dbraw/zinc/43/80/62/600438062.db2.gz VGVMTTVEKUMEOU-AWEZNQCLSA-N -1 0 336.457 3.833 20 0 EHADRM O=C([O-])[C@@H](OC(=O)Cc1ccc2c(c1)CCCC2)c1ccc(F)cc1 ZINC000739345627 600445603 /nfs/dbraw/zinc/44/56/03/600445603.db2.gz JUTRIRHJGKHRRT-IBGZPJMESA-N -1 0 342.366 3.616 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(F)cc1 ZINC000740288562 600449671 /nfs/dbraw/zinc/44/96/71/600449671.db2.gz CAFRAUYMZFEUNK-OAHLLOKOSA-N -1 0 347.729 3.943 20 0 EHADRM C/C(=C/C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(F)cc1 ZINC000736121003 600453429 /nfs/dbraw/zinc/45/34/29/600453429.db2.gz NUVRGMVATLSVLZ-MQNTZWLQSA-N -1 0 332.302 3.737 20 0 EHADRM O=C([O-])c1ccc2oc(C(=O)c3cccc(OC(F)F)c3)cc2c1 ZINC000740212417 600453614 /nfs/dbraw/zinc/45/36/14/600453614.db2.gz LPKFHSJRQMKREI-UHFFFAOYSA-N -1 0 332.258 3.963 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738118445 600455903 /nfs/dbraw/zinc/45/59/03/600455903.db2.gz BHLBOFCRASACND-KPZWWZAWSA-N -1 0 346.354 3.697 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)s1 ZINC000324680262 600463094 /nfs/dbraw/zinc/46/30/94/600463094.db2.gz NPSYEWQSUGAPPM-GFCCVEGCSA-N -1 0 346.452 3.527 20 0 EHADRM CN(Cc1ccccn1)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000737494510 600469879 /nfs/dbraw/zinc/46/98/79/600469879.db2.gz RRLCPMUQOJRMEL-UHFFFAOYSA-N -1 0 347.440 3.803 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)NC1CCC(C(=O)[O-])CC1)C(C)C ZINC000263218196 600470362 /nfs/dbraw/zinc/47/03/62/600470362.db2.gz JZXXZWTVHLSYHG-DQPZFDDXSA-N -1 0 332.444 3.635 20 0 EHADRM Cc1ccc2oc(C(=O)Nc3ccc(C(=O)[O-])c(Cl)c3)cc2n1 ZINC000356950607 600477950 /nfs/dbraw/zinc/47/79/50/600477950.db2.gz KICHHGOVZZLYSF-UHFFFAOYSA-N -1 0 330.727 3.740 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000736904389 600478954 /nfs/dbraw/zinc/47/89/54/600478954.db2.gz UHNBHTHOQWKMSV-CRAIPNDOSA-N -1 0 343.398 3.727 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000736904406 600479268 /nfs/dbraw/zinc/47/92/68/600479268.db2.gz VAKOOUWADSANDU-IEBWSBKVSA-N -1 0 339.435 3.978 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000136718506 600480003 /nfs/dbraw/zinc/48/00/03/600480003.db2.gz FXCQPZHKFXZDRT-JTQLQIEISA-N -1 0 335.762 3.995 20 0 EHADRM COc1ccccc1C1(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC000362388880 600480030 /nfs/dbraw/zinc/48/00/30/600480030.db2.gz KAEYFPQQEQOCFV-UHFFFAOYSA-N -1 0 345.782 3.717 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)n1cnc2ccccc21 ZINC000392045339 600480064 /nfs/dbraw/zinc/48/00/64/600480064.db2.gz QUIJVMHZPSGCON-JTQLQIEISA-N -1 0 343.770 3.588 20 0 EHADRM O=C([O-])c1ccc(C(=O)Oc2ccc(Br)c(F)c2)cc1 ZINC000740121357 600480588 /nfs/dbraw/zinc/48/05/88/600480588.db2.gz PQLRPOODFYMFLV-UHFFFAOYSA-N -1 0 339.116 3.506 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)[C@@H]2CCc3ccccc32)cc1 ZINC000263117715 600482311 /nfs/dbraw/zinc/48/23/11/600482311.db2.gz CIXHUXIKHZVFAV-GOSISDBHSA-N -1 0 339.391 3.599 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)c2ccccc2OC2CCC2)cc1 ZINC000738668525 600483772 /nfs/dbraw/zinc/48/37/72/600483772.db2.gz KJWFKEKXRXAGLS-UHFFFAOYSA-N -1 0 327.336 3.927 20 0 EHADRM Cc1ccc([C@H](C)CNC(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000738550003 600483831 /nfs/dbraw/zinc/48/38/31/600483831.db2.gz AEYXDBQEIUGUTF-CQSZACIVSA-N -1 0 341.411 3.688 20 0 EHADRM CCN(C)[C@@H](C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000737069511 600486688 /nfs/dbraw/zinc/48/66/88/600486688.db2.gz XKLJFSMSYBDREH-MRXNPFEDSA-N -1 0 346.814 3.670 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1cc(Cl)ccc1Cl ZINC000263047576 600492325 /nfs/dbraw/zinc/49/23/25/600492325.db2.gz QTLSQYGJUZPVBD-VHSXEESVSA-N -1 0 345.226 3.561 20 0 EHADRM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)c1ccc(C(=O)[O-])cn1 ZINC000562926792 600496517 /nfs/dbraw/zinc/49/65/17/600496517.db2.gz ZHKNDAZOQALAMA-KRWDZBQOSA-N -1 0 326.396 3.558 20 0 EHADRM C[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000383992626 600510842 /nfs/dbraw/zinc/51/08/42/600510842.db2.gz VAGJKJZSEVULQV-JTQLQIEISA-N -1 0 333.775 3.658 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCc3ccccc3CC2)cc1Cl ZINC000324644160 600514445 /nfs/dbraw/zinc/51/44/45/600514445.db2.gz DKBLXZHHPXZGEF-UHFFFAOYSA-N -1 0 344.798 3.671 20 0 EHADRM CCN(C(=O)COc1ccc(C(C)C)cc1)c1ccccc1C(=O)[O-] ZINC000737060960 600524904 /nfs/dbraw/zinc/52/49/04/600524904.db2.gz ZAFVYNBUHPBVRE-UHFFFAOYSA-N -1 0 341.407 3.940 20 0 EHADRM CCN(C(=O)c1cnc(-c2ccccc2)nc1)c1ccccc1C(=O)[O-] ZINC000737062275 600524932 /nfs/dbraw/zinc/52/49/32/600524932.db2.gz OPICOWKHVCWHML-UHFFFAOYSA-N -1 0 347.374 3.509 20 0 EHADRM CS[C@@H](C(=O)Nc1ccc(OCCC(=O)[O-])cc1)c1ccccc1 ZINC000738182661 600525443 /nfs/dbraw/zinc/52/54/43/600525443.db2.gz SOCLWUZNFPQBNI-QGZVFWFLSA-N -1 0 345.420 3.583 20 0 EHADRM Cc1cccc(NC(=O)NCc2ccc(OCCCC(=O)[O-])cc2)c1 ZINC000738734810 600526225 /nfs/dbraw/zinc/52/62/25/600526225.db2.gz NUKUWWYYHBBRKB-UHFFFAOYSA-N -1 0 342.395 3.560 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC000675985211 600531894 /nfs/dbraw/zinc/53/18/94/600531894.db2.gz CWCYTXXKKBUKSY-CQSZACIVSA-N -1 0 335.400 3.783 20 0 EHADRM CCSc1ccc(C(=O)N(CC)c2ccccc2C(=O)[O-])cn1 ZINC000737231118 600532535 /nfs/dbraw/zinc/53/25/35/600532535.db2.gz GHWFFEKRHLOICL-UHFFFAOYSA-N -1 0 330.409 3.559 20 0 EHADRM COc1ccccc1CC(C)(C)C(=O)OCc1cc(C(=O)[O-])c(C)o1 ZINC000738123228 600533549 /nfs/dbraw/zinc/53/35/49/600533549.db2.gz AURNVIKKKGMEIB-UHFFFAOYSA-N -1 0 346.379 3.607 20 0 EHADRM CC[C@@H](NC(=O)NCc1ccc(C(=O)[O-])o1)c1ccc(Cl)cc1 ZINC000736914549 600534463 /nfs/dbraw/zinc/53/44/63/600534463.db2.gz VLEXQDAOMMVNBC-CYBMUJFWSA-N -1 0 336.775 3.582 20 0 EHADRM CC[C@H](NC(=O)NCc1ccc(C(=O)[O-])o1)c1ccc(Cl)s1 ZINC000736914985 600534579 /nfs/dbraw/zinc/53/45/79/600534579.db2.gz YNVCDQHDOLDYFS-VIFPVBQESA-N -1 0 342.804 3.643 20 0 EHADRM CC(C)[C@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC000324693497 600540136 /nfs/dbraw/zinc/54/01/36/600540136.db2.gz RIEYZLVIXXADSZ-NSHDSACASA-N -1 0 340.370 3.953 20 0 EHADRM CCCCOc1ccc(NC(=O)NCc2ccc(C(=O)[O-])o2)c(C)c1 ZINC000736999802 600541650 /nfs/dbraw/zinc/54/16/50/600541650.db2.gz JHQRALLTQYQWEF-UHFFFAOYSA-N -1 0 346.383 3.787 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)NCc1ccc(C(=O)[O-])o1 ZINC000738209768 600542995 /nfs/dbraw/zinc/54/29/95/600542995.db2.gz ALXZOVVETWIPGG-UHFFFAOYSA-N -1 0 340.788 3.675 20 0 EHADRM Cc1sc(NC(=O)CO[C@@H]2CCCC[C@@H]2C)c(C(=O)[O-])c1C ZINC000738997603 600551486 /nfs/dbraw/zinc/55/14/86/600551486.db2.gz QWRWFPOBEIGRCP-JOYOIKCWSA-N -1 0 325.430 3.597 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)CCCc1ccccn1 ZINC000739235864 600553531 /nfs/dbraw/zinc/55/35/31/600553531.db2.gz LNKHEFFAEGMBFL-UHFFFAOYSA-N -1 0 334.375 3.894 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000236739541 600560013 /nfs/dbraw/zinc/56/00/13/600560013.db2.gz YNROYQMCOGFLOU-UHFFFAOYSA-N -1 0 325.408 3.608 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)N(CCC(=O)[O-])C(C)C ZINC000237014582 600560974 /nfs/dbraw/zinc/56/09/74/600560974.db2.gz AGDOTNVTUGOBHD-NKSUMMKUSA-N -1 0 333.428 3.589 20 0 EHADRM Cc1ccc(-c2ncc(C(=O)N(CCC(=O)[O-])C(C)C)s2)c(C)c1 ZINC000675984805 600563026 /nfs/dbraw/zinc/56/30/26/600563026.db2.gz SOPJOZCVJSXOJJ-UHFFFAOYSA-N -1 0 346.452 3.752 20 0 EHADRM CC(C)C(=O)Nc1ccc(NC(=O)c2ccccc2NC(=O)[O-])cc1 ZINC000736347808 600565629 /nfs/dbraw/zinc/56/56/29/600565629.db2.gz MYLAYEOEKYWYPE-UHFFFAOYSA-N -1 0 341.367 3.623 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000740045238 600567921 /nfs/dbraw/zinc/56/79/21/600567921.db2.gz GBZLUHSWCFLPLU-AWEZNQCLSA-N -1 0 346.383 3.883 20 0 EHADRM C[C@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)CCC1CC1 ZINC000736724668 600571075 /nfs/dbraw/zinc/57/10/75/600571075.db2.gz OHGUGVLKCOXOKC-CYBMUJFWSA-N -1 0 342.395 3.653 20 0 EHADRM CCCOCc1ccccc1CNC(=O)c1ccccc1NC(=O)[O-] ZINC000737028433 600571806 /nfs/dbraw/zinc/57/18/06/600571806.db2.gz TXAGAXPXKRCZIB-UHFFFAOYSA-N -1 0 342.395 3.633 20 0 EHADRM O=C([O-])c1occc1COC(=O)c1cc(Cl)cc2cccnc21 ZINC000740279264 600580539 /nfs/dbraw/zinc/58/05/39/600580539.db2.gz OPUIKHQLEKHWNQ-UHFFFAOYSA-N -1 0 331.711 3.536 20 0 EHADRM C[C@H]1CCCC[C@@H]1NC(=S)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000736783046 600582851 /nfs/dbraw/zinc/58/28/51/600582851.db2.gz FNOFTXJSCLVHSM-ZANVPECISA-N -1 0 326.849 3.903 20 0 EHADRM C[C@H](c1cc2ccccc2o1)N(C)C(=O)CS[C@@H](C)CC(=O)[O-] ZINC000736551350 600582850 /nfs/dbraw/zinc/58/28/50/600582850.db2.gz JWEXTEWESFZXMU-NWDGAFQWSA-N -1 0 335.425 3.549 20 0 EHADRM C[C@@H](CC(=O)[O-])S[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000736550306 600583481 /nfs/dbraw/zinc/58/34/81/600583481.db2.gz NRBDQOIDKOVUHR-GUYCJALGSA-N -1 0 329.421 3.963 20 0 EHADRM Cc1cc(NC(=O)COc2cccc(Cl)c2C)ccc1C(=O)[O-] ZINC000237709599 600586089 /nfs/dbraw/zinc/58/60/89/600586089.db2.gz OTZXIDRCQCEEKA-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM C[C@H](CC(=O)[O-])S[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000736554083 600592229 /nfs/dbraw/zinc/59/22/29/600592229.db2.gz WRSGMNAQJPZRFN-RDBSUJKOSA-N -1 0 349.496 3.728 20 0 EHADRM CN(C(=O)C[C@@H]1CCCc2ccccc21)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737317282 600593298 /nfs/dbraw/zinc/59/32/98/600593298.db2.gz GOHHUJPDLKBLQG-FXAWDEMLSA-N -1 0 337.419 3.781 20 0 EHADRM CCC(CC)(C(=O)N(C)C[C@H](C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000236864963 600593317 /nfs/dbraw/zinc/59/33/17/600593317.db2.gz NWNJEKCAKWGYNV-LBPRGKRZSA-N -1 0 325.836 3.577 20 0 EHADRM C[C@@H](CSCC(=O)N(c1ccccc1)C1CCCCC1)C(=O)[O-] ZINC000736614469 600598236 /nfs/dbraw/zinc/59/82/36/600598236.db2.gz CVHVHQSQMQYRFC-AWEZNQCLSA-N -1 0 335.469 3.806 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)C[C@H]1C=CCC1)Cc1cccc2ccccc21 ZINC000262838069 600601478 /nfs/dbraw/zinc/60/14/78/600601478.db2.gz SWCXNRAGEACZOQ-MAUKXSAKSA-N -1 0 337.419 3.556 20 0 EHADRM O=C([O-])CN(C(=O)CCc1ccc2ccccc2c1)c1ccccc1 ZINC000337758558 600602475 /nfs/dbraw/zinc/60/24/75/600602475.db2.gz UXUAJJOJIQEQID-UHFFFAOYSA-N -1 0 333.387 3.890 20 0 EHADRM CCC(C)(C)C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000262439610 600602554 /nfs/dbraw/zinc/60/25/54/600602554.db2.gz MWXPXNOXLXSIDJ-INIZCTEOSA-N -1 0 327.424 3.636 20 0 EHADRM CN(C(=O)/C=C/c1ccc2ccccc2n1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737315559 600602946 /nfs/dbraw/zinc/60/29/46/600602946.db2.gz WOQZYGDFVGSHGJ-AIGDTVQASA-N -1 0 346.386 3.532 20 0 EHADRM O=C([O-])CN(C(=O)c1nc(-c2ccccc2)cs1)c1ccccc1 ZINC000739783640 600603821 /nfs/dbraw/zinc/60/38/21/600603821.db2.gz FQECYICXFKEAJK-UHFFFAOYSA-N -1 0 338.388 3.542 20 0 EHADRM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N(CC(=O)[O-])c1ccccc1 ZINC000324223374 600604663 /nfs/dbraw/zinc/60/46/63/600604663.db2.gz QKNARNZXIDFBDN-ZDUSSCGKSA-N -1 0 347.798 3.534 20 0 EHADRM O=C(/C=C\c1ccco1)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000739216216 600605285 /nfs/dbraw/zinc/60/52/85/600605285.db2.gz PGFPLUAFCLUDRQ-HJCTWCACSA-N -1 0 349.386 3.506 20 0 EHADRM CC(C)Cc1ccc(CC(=O)N(CC(=O)[O-])c2ccccc2)cc1 ZINC000736453628 600606744 /nfs/dbraw/zinc/60/67/44/600606744.db2.gz MBRQGQFQGTXSDC-UHFFFAOYSA-N -1 0 325.408 3.545 20 0 EHADRM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cccc(C(=O)[O-])c1 ZINC000237224379 600608647 /nfs/dbraw/zinc/60/86/47/600608647.db2.gz DXRWSWYWKNPSGC-MEDUHNTESA-N -1 0 347.798 3.544 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC000191064154 600614738 /nfs/dbraw/zinc/61/47/38/600614738.db2.gz IYOBAMBJQUQCOT-FQEVSTJZSA-N -1 0 337.375 3.878 20 0 EHADRM CCOc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)ccc1C ZINC000737185270 600615847 /nfs/dbraw/zinc/61/58/47/600615847.db2.gz ICNSLEBVTHWIKF-UHFFFAOYSA-N -1 0 333.771 3.998 20 0 EHADRM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000738095464 600619804 /nfs/dbraw/zinc/61/98/04/600619804.db2.gz IEHZMNLJXZOMON-CVEARBPZSA-N -1 0 345.782 3.789 20 0 EHADRM CC(C)[C@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1ccccc1Cl ZINC000581347322 600619938 /nfs/dbraw/zinc/61/99/38/600619938.db2.gz UJZLEKJREUQKGD-HNNXBMFYSA-N -1 0 332.787 3.560 20 0 EHADRM CS[C@@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000738180350 600621234 /nfs/dbraw/zinc/62/12/34/600621234.db2.gz ANWWPHHRWCQECX-HUUCEWRRSA-N -1 0 334.368 3.599 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2cnc(Cl)c(Cl)c2)c1 ZINC000147488421 600621616 /nfs/dbraw/zinc/62/16/16/600621616.db2.gz ROMZBWICPKOMIO-UHFFFAOYSA-N -1 0 345.569 3.992 20 0 EHADRM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000736784846 600623495 /nfs/dbraw/zinc/62/34/95/600623495.db2.gz LNQXHDLSADBGRM-YGRLFVJLSA-N -1 0 325.792 3.572 20 0 EHADRM COc1ccccc1C1(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CC1 ZINC000738118985 600623572 /nfs/dbraw/zinc/62/35/72/600623572.db2.gz FXUSELUGYFCHIM-UHFFFAOYSA-N -1 0 345.782 3.717 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)COc2cccc(Cl)c2)c1 ZINC000316916552 600624402 /nfs/dbraw/zinc/62/44/02/600624402.db2.gz CRYNJMFDGTZFSJ-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000736928882 600625559 /nfs/dbraw/zinc/62/55/59/600625559.db2.gz HANRNJOUOSGTQA-INIZCTEOSA-N -1 0 345.374 3.924 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)c1ccc(Cl)cn1 ZINC000683315013 600639577 /nfs/dbraw/zinc/63/95/77/600639577.db2.gz RCVWXRASFUPTGW-UHFFFAOYSA-N -1 0 346.795 3.578 20 0 EHADRM Cc1ccc(C)c(N(Cc2noc(CCCC(=O)[O-])n2)C(C)C)c1 ZINC000738573761 600640111 /nfs/dbraw/zinc/64/01/11/600640111.db2.gz JTXNUCAKGNBWAE-UHFFFAOYSA-N -1 0 331.416 3.509 20 0 EHADRM CCN(C(=O)[C@@H]1C[C@H]1c1cccc(OC)c1)c1ccccc1C(=O)[O-] ZINC000737052043 600646466 /nfs/dbraw/zinc/64/64/66/600646466.db2.gz FCNWZZBRKXJFGH-DLBZAZTESA-N -1 0 339.391 3.550 20 0 EHADRM CCN(C(=O)[C@H]1CSc2ccccc21)c1ccccc1C(=O)[O-] ZINC000737052068 600646738 /nfs/dbraw/zinc/64/67/38/600646738.db2.gz FXFBLODDGRNSBF-AWEZNQCLSA-N -1 0 327.405 3.627 20 0 EHADRM CCN(C(=O)c1ccc(OC(C)C)cc1)c1ccccc1C(=O)[O-] ZINC000737059739 600647665 /nfs/dbraw/zinc/64/76/65/600647665.db2.gz TZZXUNPZLFRCJX-UHFFFAOYSA-N -1 0 327.380 3.839 20 0 EHADRM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC000736513711 600660711 /nfs/dbraw/zinc/66/07/11/600660711.db2.gz XBYDLHYJZZALTN-SJORKVTESA-N -1 0 329.440 3.817 20 0 EHADRM Cc1ccc(-c2ccncc2)cc1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000738487567 600665437 /nfs/dbraw/zinc/66/54/37/600665437.db2.gz AQBYKUUHYKQCCL-SJORKVTESA-N -1 0 338.407 3.887 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)C1 ZINC000245696451 600667115 /nfs/dbraw/zinc/66/71/15/600667115.db2.gz LCARVJJURSJKHV-BFYDXBDKSA-N -1 0 333.403 3.674 20 0 EHADRM Cc1ccc(C(C)C)cc1OCC(=O)Oc1ccccc1CC(=O)[O-] ZINC000738552330 600676240 /nfs/dbraw/zinc/67/62/40/600676240.db2.gz PUZCYCVVPBGFTE-UHFFFAOYSA-N -1 0 342.391 3.730 20 0 EHADRM CCOc1cc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2F)ccc1C ZINC000830037432 600676366 /nfs/dbraw/zinc/67/63/66/600676366.db2.gz FBHFWOHOBCAUON-MRXNPFEDSA-N -1 0 332.327 3.516 20 0 EHADRM CCc1ccccc1NC(=O)CNc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000737275589 600681093 /nfs/dbraw/zinc/68/10/93/600681093.db2.gz ZJXDVWJBGBAENU-UHFFFAOYSA-N -1 0 340.423 3.662 20 0 EHADRM CN(C(=O)C1CC=CC1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000737313062 600689481 /nfs/dbraw/zinc/68/94/81/600689481.db2.gz HMNHGCDUKRVZAL-ZDUSSCGKSA-N -1 0 328.195 3.544 20 0 EHADRM O=C([O-])c1ccc(-c2noc([C@@H]3C[C@@H]3c3cccc(F)c3F)n2)cc1 ZINC000833309067 600693219 /nfs/dbraw/zinc/69/32/19/600693219.db2.gz XRPZXKHJNXJMDD-CHWSQXEVSA-N -1 0 342.301 3.984 20 0 EHADRM O=C([O-])c1cccc(-c2noc(-c3coc(-c4ccccc4)n3)n2)c1 ZINC000833328044 600696037 /nfs/dbraw/zinc/69/60/37/600696037.db2.gz SADHKFCHLVMFJD-UHFFFAOYSA-N -1 0 333.303 3.757 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)cc1 ZINC000833314346 600696631 /nfs/dbraw/zinc/69/66/31/600696631.db2.gz HXCDDIRPTBWHSX-ZIAGYGMSSA-N -1 0 332.302 3.510 20 0 EHADRM O=C([O-])c1cccc(-c2noc([C@@H]3C[C@H]3c3c(F)cccc3F)n2)c1 ZINC000833327535 600697117 /nfs/dbraw/zinc/69/71/17/600697117.db2.gz BDDJITXUOVTYTD-VXGBXAGGSA-N -1 0 342.301 3.984 20 0 EHADRM O=C([O-])c1cccc(-c2noc(CCSc3ccccc3)n2)c1 ZINC000833327948 600698425 /nfs/dbraw/zinc/69/84/25/600698425.db2.gz NFSLKPABEGVRIY-UHFFFAOYSA-N -1 0 326.377 3.770 20 0 EHADRM Cc1cc(C)cc(OCCc2nc(-c3cccc(C(=O)[O-])c3)no2)c1 ZINC000832879016 600701366 /nfs/dbraw/zinc/70/13/66/600701366.db2.gz NQGWDCUUYSBPMN-UHFFFAOYSA-N -1 0 338.363 3.673 20 0 EHADRM CC(C)[C@H](OC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000826717266 600703806 /nfs/dbraw/zinc/70/38/06/600703806.db2.gz PMOSBBTWPWYWAX-UPJWGTAASA-N -1 0 331.195 3.749 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)[C@H]2C[C@@]23CCc2ccccc23)cc1 ZINC000830508586 600704167 /nfs/dbraw/zinc/70/41/67/600704167.db2.gz XANPKAVJNKKFDX-YLJYHZDGSA-N -1 0 336.391 3.643 20 0 EHADRM C[C@@H]1CCN(C(=O)NCCCCCCC(=O)[O-])[C@@H](c2ccco2)C1 ZINC000828279410 600725138 /nfs/dbraw/zinc/72/51/38/600725138.db2.gz ZQMITJKBDCPPIY-HUUCEWRRSA-N -1 0 336.432 3.797 20 0 EHADRM Cc1cc(C)c(COC(=O)c2ccc(NC(=O)[O-])c(O)c2)c(C)c1 ZINC000832877764 600728941 /nfs/dbraw/zinc/72/89/41/600728941.db2.gz NBFMIXTVTUUEIL-UHFFFAOYSA-N -1 0 329.352 3.764 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)OCc2ccc(Cl)s2)cc1O ZINC000833283735 600733832 /nfs/dbraw/zinc/73/38/32/600733832.db2.gz JTEYCOFJUJJSOE-UHFFFAOYSA-N -1 0 327.745 3.554 20 0 EHADRM C[C@@H]1CC[C@H](CCC(=O)OCc2c3ccccc3sc2C(=O)[O-])O1 ZINC000828226198 600736811 /nfs/dbraw/zinc/73/68/11/600736811.db2.gz PVDCDWZHQZYDLQ-VXGBXAGGSA-N -1 0 348.420 3.990 20 0 EHADRM C[C@H](OC(=O)[C@H]1C[C@@]12CCCc1ccccc12)c1ccc(C(=O)[O-])o1 ZINC000827818666 600737120 /nfs/dbraw/zinc/73/71/20/600737120.db2.gz VLYAADZHODIXAJ-PGICJIBASA-N -1 0 340.375 3.876 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)cc1 ZINC000739467392 600742798 /nfs/dbraw/zinc/74/27/98/600742798.db2.gz RUTCOMUPMBYVJK-SMDDNHRTSA-N -1 0 348.761 3.855 20 0 EHADRM CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(C(=O)[O-])cc2)C12CCCC2 ZINC000737158828 600743180 /nfs/dbraw/zinc/74/31/80/600743180.db2.gz SNTNVMGPUPYQIY-HZPDHXFCSA-N -1 0 346.427 3.586 20 0 EHADRM C[C@@H]1C[C@H](C)CN1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000736755191 600746602 /nfs/dbraw/zinc/74/66/02/600746602.db2.gz KZDCWLGLUGCJIK-QWHCGFSZSA-N -1 0 336.457 3.657 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Nc2ccccc2OCC2CC2)c(F)c1 ZINC000739468647 600747064 /nfs/dbraw/zinc/74/70/64/600747064.db2.gz NNCANNDFMNQFGN-UHFFFAOYSA-N -1 0 344.342 3.957 20 0 EHADRM CSc1ccc(O[C@H](C)C(=O)Oc2ccc(C)cc2C(=O)[O-])cc1 ZINC000738212227 600756212 /nfs/dbraw/zinc/75/62/12/600756212.db2.gz LTNBORHQYREOJS-GFCCVEGCSA-N -1 0 346.404 3.788 20 0 EHADRM CCO[C@H]1C[C@H](OC(=O)c2ccc(NC(=O)[O-])cc2)C12CCCC2 ZINC000737164233 600757299 /nfs/dbraw/zinc/75/72/99/600757299.db2.gz BSCCJDANQPECGC-GJZGRUSLSA-N -1 0 333.384 3.671 20 0 EHADRM Cc1c(NC(=O)[C@H]2C[C@]23CCCc2ccccc23)cccc1C(=O)[O-] ZINC000678975798 600784535 /nfs/dbraw/zinc/78/45/35/600784535.db2.gz OXUQPUDMMPYGPD-UTKZUKDTSA-N -1 0 335.403 3.926 20 0 EHADRM Cc1cc(C(=O)NC(C)(C)CC(=O)[O-])c(C)n1[C@H](C)c1ccccc1 ZINC000738331020 600789381 /nfs/dbraw/zinc/78/93/81/600789381.db2.gz CETQQYDLDXFQQA-CQSZACIVSA-N -1 0 342.439 3.697 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)/C=C/c1ccsc1)c1cccc(Cl)c1 ZINC000776673459 600799202 /nfs/dbraw/zinc/79/92/02/600799202.db2.gz PYUJOZLPLROZGQ-ISZGNANSSA-N -1 0 335.812 3.747 20 0 EHADRM Cc1cccc([C@@H](C)CNC(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000738690382 600801620 /nfs/dbraw/zinc/80/16/20/600801620.db2.gz IUVNXYCWCJVRIP-AWEZNQCLSA-N -1 0 326.396 3.927 20 0 EHADRM Cc1ccc(OC(=O)[C@H](C)CCOc2ccccc2)c(C(=O)[O-])c1 ZINC000832953327 600802042 /nfs/dbraw/zinc/80/20/42/600802042.db2.gz RJVBGYLZVUEPLG-CQSZACIVSA-N -1 0 328.364 3.704 20 0 EHADRM Cc1cccc([C@@H](C)CNC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000738689016 600802595 /nfs/dbraw/zinc/80/25/95/600802595.db2.gz BTSXFGLIVQZTHN-HNNXBMFYSA-N -1 0 340.423 3.638 20 0 EHADRM O=C([O-])c1ccc2ccccc2c1OCc1nc(-c2ccoc2)no1 ZINC000833325940 600802612 /nfs/dbraw/zinc/80/26/12/600802612.db2.gz CVSCQHPUMLGJRT-UHFFFAOYSA-N -1 0 336.303 3.760 20 0 EHADRM CCOC(=O)c1nc(-c2ccccc2)oc1CS[C@@H](C)CC(=O)[O-] ZINC000829890144 600805218 /nfs/dbraw/zinc/80/52/18/600805218.db2.gz LSWPURVWFGPAQL-NSHDSACASA-N -1 0 349.408 3.615 20 0 EHADRM O=C([O-])c1sc2cccc(F)c2c1COC(=O)c1ccncc1F ZINC000738712863 600807367 /nfs/dbraw/zinc/80/73/67/600807367.db2.gz MNXNRRVWYQXUCG-UHFFFAOYSA-N -1 0 349.314 3.630 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000776673383 600808000 /nfs/dbraw/zinc/80/80/00/600808000.db2.gz DMPODMATWHCHPC-MRXNPFEDSA-N -1 0 349.789 3.744 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(Cl)o1)c1cccc(Cl)c1 ZINC000776672876 600808141 /nfs/dbraw/zinc/80/81/41/600808141.db2.gz LPFJKGOAKWGPDP-JTQLQIEISA-N -1 0 328.151 3.532 20 0 EHADRM Cc1ccc([C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)o1 ZINC000832923336 600808475 /nfs/dbraw/zinc/80/84/75/600808475.db2.gz HJPWNLWXSCRVMH-RISCZKNCSA-N -1 0 335.787 3.677 20 0 EHADRM C[C@H]1CCN(C(=O)CCc2ccc(C(=O)[O-])cc2)[C@@H](c2ccco2)C1 ZINC000237702870 600808809 /nfs/dbraw/zinc/80/88/09/600808809.db2.gz OUDIXIXUZMNGSX-WMLDXEAASA-N -1 0 341.407 3.910 20 0 EHADRM COc1ccccc1[C@@]1(C)C[C@@H]1Nc1nc(Cl)c(C(=O)[O-])s1 ZINC000832601363 600816587 /nfs/dbraw/zinc/81/65/87/600816587.db2.gz JJDNUWGKYFQXBU-ZUZCIYMTSA-N -1 0 338.816 3.645 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)c1cccc2cnccc21 ZINC000833298908 600818527 /nfs/dbraw/zinc/81/85/27/600818527.db2.gz HZKUUKKWXVOKMW-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM COc1ccccc1N(C)CCOc1ccc(C(=O)[O-])cc1Cl ZINC000832618655 600819613 /nfs/dbraw/zinc/81/96/13/600819613.db2.gz ZWVTYYLQJXBMPG-UHFFFAOYSA-N -1 0 335.787 3.562 20 0 EHADRM C[C@H](NC(=S)N1C[C@H](CC(=O)[O-])c2ccccc21)c1ccccc1 ZINC000736660575 600819767 /nfs/dbraw/zinc/81/97/67/600819767.db2.gz LLEFKKRUSAEVIV-ZFWWWQNUSA-N -1 0 340.448 3.701 20 0 EHADRM Cc1sc2nc(C)nc(NC[C@H](C(=O)[O-])c3ccccc3)c2c1C ZINC000392295770 600820153 /nfs/dbraw/zinc/82/01/53/600820153.db2.gz ROZLRDDANIBFFF-AWEZNQCLSA-N -1 0 341.436 3.897 20 0 EHADRM Cc1ccc(NC(=S)N2C[C@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000738628364 600820465 /nfs/dbraw/zinc/82/04/65/600820465.db2.gz PUBCNZUALHZUFK-ZDUSSCGKSA-N -1 0 326.421 3.770 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000120245534 600823437 /nfs/dbraw/zinc/82/34/37/600823437.db2.gz LGENKTCVPDUUAQ-JSGCOSHPSA-N -1 0 331.318 3.714 20 0 EHADRM CC1(C)CCN(c2cc(C(=O)[O-])nc3ccc(Br)cc32)C1 ZINC000828069133 600825185 /nfs/dbraw/zinc/82/51/85/600825185.db2.gz LERLLHGYKUEJRH-UHFFFAOYSA-N -1 0 349.228 3.932 20 0 EHADRM COc1ccc(-c2cnc(CNc3cc(C(=O)[O-])ccc3C)o2)cc1 ZINC000832123894 600826036 /nfs/dbraw/zinc/82/60/36/600826036.db2.gz CEMDEPAWISYEKD-UHFFFAOYSA-N -1 0 338.363 3.969 20 0 EHADRM Cc1cc(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)sc1C(=O)[O-] ZINC000738235458 600826381 /nfs/dbraw/zinc/82/63/81/600826381.db2.gz UOPDCJHHZIJRAT-ZJUUUORDSA-N -1 0 337.347 3.775 20 0 EHADRM O=C([O-])c1ccc(OCc2ccccc2OCC(F)(F)F)cc1 ZINC000833323806 600833118 /nfs/dbraw/zinc/83/31/18/600833118.db2.gz JJKLPSUPFQASTD-UHFFFAOYSA-N -1 0 326.270 3.905 20 0 EHADRM Cc1cc(CN2C[C@H](c3ccccc3C)OC[C@H]2C)oc1C(=O)[O-] ZINC000578899609 600833865 /nfs/dbraw/zinc/83/38/65/600833865.db2.gz BYVFDFMKXQMCJQ-RHSMWYFYSA-N -1 0 329.396 3.557 20 0 EHADRM Cc1cc(CN2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)oc1C(=O)[O-] ZINC000519710055 600835129 /nfs/dbraw/zinc/83/51/29/600835129.db2.gz UMUKEBUJJAVKMG-QAPCUYQASA-N -1 0 343.423 3.865 20 0 EHADRM Cc1ccc(C)c([C@H]2CN(Cc3ccoc3C(=O)[O-])[C@H](C)CO2)c1 ZINC000582186576 600835385 /nfs/dbraw/zinc/83/53/85/600835385.db2.gz GXTFKEHIJVMAOM-RHSMWYFYSA-N -1 0 329.396 3.557 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2C[C@H]2C2CCCCC2)cc1 ZINC000675948997 600837502 /nfs/dbraw/zinc/83/75/02/600837502.db2.gz YSNJHROGGAOEAR-BZSNNMDCSA-N -1 0 345.439 3.544 20 0 EHADRM CC[C@H]1C[C@H](C)CN1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000829075348 600840305 /nfs/dbraw/zinc/84/03/05/600840305.db2.gz PSAWLKPFIMYSST-ZFWWWQNUSA-N -1 0 345.443 3.637 20 0 EHADRM CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000829074787 600842983 /nfs/dbraw/zinc/84/29/83/600842983.db2.gz JEKAUWIQFXGIOA-MWLCHTKSSA-N -1 0 342.342 3.639 20 0 EHADRM CS[C@@H](C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21)c1ccccc1 ZINC000738180714 600848235 /nfs/dbraw/zinc/84/82/35/600848235.db2.gz YTXCPYGDVYDGMD-KBXCAEBGSA-N -1 0 341.432 3.696 20 0 EHADRM C[C@@]1(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)CCCc2ccccc21 ZINC000736728847 600849303 /nfs/dbraw/zinc/84/93/03/600849303.db2.gz SNXMEYJUIPYENQ-OPAMFIHVSA-N -1 0 349.430 3.886 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@@H](C)CCc1ccccc1F ZINC000831912539 600849460 /nfs/dbraw/zinc/84/94/60/600849460.db2.gz AYLWPFGQIPDYQM-LBPRGKRZSA-N -1 0 346.354 3.707 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000237352048 600853321 /nfs/dbraw/zinc/85/33/21/600853321.db2.gz PKFJIOXRDUOVML-WFASDCNBSA-N -1 0 349.427 3.788 20 0 EHADRM C/C(=C/C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21)c1ccc(F)cc1 ZINC000736121437 600854939 /nfs/dbraw/zinc/85/49/39/600854939.db2.gz QPZPZRAWYQWGPI-WVUXNXBLSA-N -1 0 339.366 3.834 20 0 EHADRM C/C(=C\C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21)c1ccc(F)cc1 ZINC000736121434 600854949 /nfs/dbraw/zinc/85/49/49/600854949.db2.gz QPZPZRAWYQWGPI-NRMKIYEFSA-N -1 0 339.366 3.834 20 0 EHADRM COc1cc(Cl)ccc1C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000325228733 600855078 /nfs/dbraw/zinc/85/50/78/600855078.db2.gz RDPRMGJUJMUWNV-LLVKDONJSA-N -1 0 345.782 3.567 20 0 EHADRM CC(C)Oc1ccccc1C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000736495404 600861726 /nfs/dbraw/zinc/86/17/26/600861726.db2.gz YSJRHECOSFKYIP-AWEZNQCLSA-N -1 0 339.391 3.693 20 0 EHADRM O=C([O-])Cc1csc(NC(=O)C2CCC(c3ccccc3)CC2)n1 ZINC000238133045 600866971 /nfs/dbraw/zinc/86/69/71/600866971.db2.gz SQWBRRUYBVQCMD-UHFFFAOYSA-N -1 0 344.436 3.683 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)[C@H]2C[C@H]2C2CCCCC2)c1OC ZINC000262512459 600874739 /nfs/dbraw/zinc/87/47/39/600874739.db2.gz PEAOFJAORNXWEZ-KBPBESRZSA-N -1 0 347.411 3.557 20 0 EHADRM C[C@H](OCc1ccccc1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000261546189 600877856 /nfs/dbraw/zinc/87/78/56/600877856.db2.gz UMGGOMQUSUOQJS-AWEZNQCLSA-N -1 0 341.407 3.593 20 0 EHADRM O=C([O-])CN(Cc1ccc(F)c(F)c1)C(=O)CCCC1CCCC1 ZINC000833249240 600882363 /nfs/dbraw/zinc/88/23/63/600882363.db2.gz NTSAXTYZRAUPRY-UHFFFAOYSA-N -1 0 339.382 3.739 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2c(F)cc(F)cc2F)cc1 ZINC000391662565 600883003 /nfs/dbraw/zinc/88/30/03/600883003.db2.gz LHGBZOIZHNAAFH-UHFFFAOYSA-N -1 0 337.297 3.718 20 0 EHADRM CC(C)CN(CCc1ccc(F)cc1)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000826881400 600886146 /nfs/dbraw/zinc/88/61/46/600886146.db2.gz RNFMPTMEAUWRKA-IRXDYDNUSA-N -1 0 349.446 3.744 20 0 EHADRM CCCCOc1ccc(OC)cc1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000262566107 600888487 /nfs/dbraw/zinc/88/84/87/600888487.db2.gz LKZHTRSMSCONTH-ZIAGYGMSSA-N -1 0 349.427 3.704 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)N(CC(=O)[O-])c1ccccc1 ZINC000337738346 600888643 /nfs/dbraw/zinc/88/86/43/600888643.db2.gz JZIIERZKFBIOKG-AWEZNQCLSA-N -1 0 329.371 3.512 20 0 EHADRM CC(C)Oc1cccc([C@H](C)NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000179961890 600891594 /nfs/dbraw/zinc/89/15/94/600891594.db2.gz TUCBCLYFXXFLNT-BPUTZDHNSA-N -1 0 333.428 3.542 20 0 EHADRM CCC(CC)[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccccc1 ZINC000643174898 600899117 /nfs/dbraw/zinc/89/91/17/600899117.db2.gz WCGJHADLSOOZRM-KRWDZBQOSA-N -1 0 326.396 3.687 20 0 EHADRM Cc1nc2ccccc2c(C)c1C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000833005842 600904056 /nfs/dbraw/zinc/90/40/56/600904056.db2.gz HMXMXBQUBFPXDJ-UHFFFAOYSA-N -1 0 326.377 3.864 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)c2)[nH]c1C ZINC000832991521 600909321 /nfs/dbraw/zinc/90/93/21/600909321.db2.gz KIFFALVZBXRXBZ-LSDHHAIUSA-N -1 0 341.411 3.523 20 0 EHADRM CCc1ccc([C@H]2CCCCN2C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)o1 ZINC000737259448 600914291 /nfs/dbraw/zinc/91/42/91/600914291.db2.gz RDYPJIYTTTYDOW-CQSZACIVSA-N -1 0 344.411 3.853 20 0 EHADRM CC(C)C[C@@H](CNC(=O)c1ccccc1Oc1ccccc1)C(=O)[O-] ZINC000736409470 600917325 /nfs/dbraw/zinc/91/73/25/600917325.db2.gz KBXYNZBQGVSDLR-HNNXBMFYSA-N -1 0 341.407 3.956 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@@H](Sc1ccccc1)C(C)C)C(=O)[O-] ZINC000486306594 600919723 /nfs/dbraw/zinc/91/97/23/600919723.db2.gz YXLHSOUCIOUNHM-ZBFHGGJFSA-N -1 0 337.485 3.666 20 0 EHADRM CCC(CC)(NC(=O)CCSc1ccccc1Cl)C(=O)[O-] ZINC000094239871 600924948 /nfs/dbraw/zinc/92/49/48/600924948.db2.gz BXAUXRFALLWYCL-UHFFFAOYSA-N -1 0 329.849 3.582 20 0 EHADRM CC(C)C[C@@H](CNC(=O)[C@H](OC1CCCC1)c1ccccc1)C(=O)[O-] ZINC000486287333 600925607 /nfs/dbraw/zinc/92/56/07/600925607.db2.gz WYXIQLZXZAUIHD-FUHWJXTLSA-N -1 0 347.455 3.550 20 0 EHADRM CC(C)C[C@H](CNC(=O)C1(c2cccs2)CCCCC1)C(=O)[O-] ZINC000486305145 600925826 /nfs/dbraw/zinc/92/58/26/600925826.db2.gz POUNDXFBYQSYRG-CQSZACIVSA-N -1 0 337.485 3.813 20 0 EHADRM CCC(CC)(NC(=O)c1ccc(SC(F)(F)F)cc1)C(=O)[O-] ZINC000316984139 600926959 /nfs/dbraw/zinc/92/69/59/600926959.db2.gz LBPLPBBOYWNDPJ-UHFFFAOYSA-N -1 0 335.347 3.672 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CC[C@H](CSc3ccccc3)C2)s1 ZINC000238001402 600930329 /nfs/dbraw/zinc/93/03/29/600930329.db2.gz WKGVBGVOPITMNK-LBPRGKRZSA-N -1 0 347.461 3.701 20 0 EHADRM CCC(CC)(CNC(=O)[C@@H](CC(C)C)NC(=O)[O-])c1ccccc1 ZINC000828815281 600931254 /nfs/dbraw/zinc/93/12/54/600931254.db2.gz NZAMBBXENIUXKS-MRXNPFEDSA-N -1 0 334.460 3.543 20 0 EHADRM Cc1ccc(-c2csc(NC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)n2)cc1 ZINC000832907076 600941840 /nfs/dbraw/zinc/94/18/40/600941840.db2.gz LTKZJFAKCSUILJ-KBPBESRZSA-N -1 0 344.436 3.948 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)OCc1cccc(C(=O)[O-])c1 ZINC000829009564 600944701 /nfs/dbraw/zinc/94/47/01/600944701.db2.gz HGVYESZZTFSMDB-JQFCIGGWSA-N -1 0 334.412 3.802 20 0 EHADRM Cc1ccc2c(CN3C[C@@H](CC(=O)[O-])c4ccccc43)cc(=O)oc2c1 ZINC000738666666 600959070 /nfs/dbraw/zinc/95/90/70/600959070.db2.gz UKGQCTVSHPQUBS-CQSZACIVSA-N -1 0 349.386 3.680 20 0 EHADRM Cc1nc(CN2C[C@H](CC(=O)[O-])c3ccccc32)nc2ccccc12 ZINC000738855294 600965206 /nfs/dbraw/zinc/96/52/06/600965206.db2.gz QIGODNABWILHQN-AWEZNQCLSA-N -1 0 333.391 3.517 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1ccsc1C(=O)[O-] ZINC000829009803 600965784 /nfs/dbraw/zinc/96/57/84/600965784.db2.gz QYPRXPPPJPIIEA-GVXVVHGQSA-N -1 0 325.430 3.759 20 0 EHADRM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2cccc(C(=O)[O-])n2)o1 ZINC000262348910 600967279 /nfs/dbraw/zinc/96/72/79/600967279.db2.gz BBQRPJFPPFDIDS-LRDDRELGSA-N -1 0 342.395 3.549 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000766845427 600968246 /nfs/dbraw/zinc/96/82/46/600968246.db2.gz PFMPMHGWYGTNFE-CYBMUJFWSA-N -1 0 341.382 3.682 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)NC2CC(c3cccc(Cl)c3)C2)C1 ZINC000779430358 600971198 /nfs/dbraw/zinc/97/11/98/600971198.db2.gz PEEZDNKNPYSMHY-ILGZHXLLSA-N -1 0 335.831 3.593 20 0 EHADRM O=C([O-])[C@@H](c1ccccc1F)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000583884013 600989179 /nfs/dbraw/zinc/98/91/79/600989179.db2.gz RXSZHIIIDXFQIY-IAGOWNOFSA-N -1 0 349.789 3.678 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ncoc2-c2ccccc2Cl)cc1 ZINC000238185594 600992962 /nfs/dbraw/zinc/99/29/62/600992962.db2.gz AUCCSHLOUUVSNL-UHFFFAOYSA-N -1 0 342.738 3.946 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000391307317 600994655 /nfs/dbraw/zinc/99/46/55/600994655.db2.gz TXVSCUBVCJBVQP-SNVBAGLBSA-N -1 0 332.322 3.574 20 0 EHADRM Cc1noc(C(F)F)c1C(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000833019041 600995831 /nfs/dbraw/zinc/99/58/31/600995831.db2.gz BXFIEEZYMSAKJW-UHFFFAOYSA-N -1 0 330.312 3.549 20 0 EHADRM C[C@@H](C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-])c1cccnc1 ZINC000826025660 600996779 /nfs/dbraw/zinc/99/67/79/600996779.db2.gz FDYWQGORIOOLEB-SNVBAGLBSA-N -1 0 332.425 3.881 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NC[C@@H](C)c1ccc(F)cc1F ZINC000832914662 600998617 /nfs/dbraw/zinc/99/86/17/600998617.db2.gz CUWOALXTYUYIJG-LLVKDONJSA-N -1 0 348.349 3.897 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Nc2cc(F)cc(F)c2)cc1 ZINC000325347862 600999898 /nfs/dbraw/zinc/99/98/98/600999898.db2.gz GYLWZHRHWMFHSS-UHFFFAOYSA-N -1 0 334.322 3.971 20 0 EHADRM COc1cc(F)ccc1NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000327110674 601002833 /nfs/dbraw/zinc/00/28/33/601002833.db2.gz CFCWLBHDFCTQJP-UHFFFAOYSA-N -1 0 346.358 3.841 20 0 EHADRM C[C@H](C(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1)c1cccc(F)c1 ZINC000362525309 601003871 /nfs/dbraw/zinc/00/38/71/601003871.db2.gz MBOGRBIYJOQBNP-LBPRGKRZSA-N -1 0 349.789 3.696 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2CCSc3ccccc32)c(C(=O)[O-])c1 ZINC000738615921 601004180 /nfs/dbraw/zinc/00/41/80/601004180.db2.gz MDUPNDWKERGGLO-ZDUSSCGKSA-N -1 0 327.405 3.911 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)NCCCCC2CCCC2)cc1 ZINC000833255702 601005888 /nfs/dbraw/zinc/00/58/88/601005888.db2.gz CSJAUSAINOXZPF-UHFFFAOYSA-N -1 0 334.416 3.632 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000236736810 601006186 /nfs/dbraw/zinc/00/61/86/601006186.db2.gz ZVNIYYMYKJSNTO-SFHVURJKSA-N -1 0 339.391 3.587 20 0 EHADRM CC[C@@](C)(NC(=O)C[C@H](Cc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000362342215 601006290 /nfs/dbraw/zinc/00/62/90/601006290.db2.gz ZXQLDVJJBASRQG-GHTZIAJQSA-N -1 0 339.435 3.773 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(OCCC(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000736219094 601006369 /nfs/dbraw/zinc/00/63/69/601006369.db2.gz VCCHLHZJZMDATF-GFCCVEGCSA-N -1 0 347.798 3.936 20 0 EHADRM CCc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(C(=O)[O-])cc2)s1 ZINC000830310000 601006653 /nfs/dbraw/zinc/00/66/53/601006653.db2.gz UVEYXWDDKZGKQC-LLVKDONJSA-N -1 0 347.440 3.937 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2)C1 ZINC000128537444 601007662 /nfs/dbraw/zinc/00/76/62/601007662.db2.gz BSWLWKTYOVBFFS-CQSZACIVSA-N -1 0 341.432 3.775 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N2CC[C@H](Cc3ccccc3)C2)cc1 ZINC000833286462 601021383 /nfs/dbraw/zinc/02/13/83/601021383.db2.gz SDDAUAASTUSMIQ-OAHLLOKOSA-N -1 0 339.395 3.873 20 0 EHADRM CCSCC[C@@H](C)N(C)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000830163584 601021962 /nfs/dbraw/zinc/02/19/62/601021962.db2.gz ANNKHSNMLXPVQY-LLVKDONJSA-N -1 0 325.434 3.772 20 0 EHADRM C[C@H]1Cc2ccccc2CN1C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000828516837 601023259 /nfs/dbraw/zinc/02/32/59/601023259.db2.gz UJBNEQXHUHYHQS-LBPRGKRZSA-N -1 0 325.368 3.755 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)N[C@@H]2C[C@]2(C)c2ccccc2)cc1 ZINC000830514199 601030306 /nfs/dbraw/zinc/03/03/06/601030306.db2.gz OTKDIJPWSOSMIX-VQIMIIECSA-N -1 0 339.395 3.653 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000828900389 601031139 /nfs/dbraw/zinc/03/11/39/601031139.db2.gz HFPUXUULSYNLSK-SFHVURJKSA-N -1 0 340.423 3.799 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000832777596 601033099 /nfs/dbraw/zinc/03/30/99/601033099.db2.gz TZVILKLPAIRAIL-JTQLQIEISA-N -1 0 344.864 3.930 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)N2CCC3(C2)CCCCC3)cc1 ZINC000833238454 601035736 /nfs/dbraw/zinc/03/57/36/601035736.db2.gz CGFKWFAJBPWTTQ-UHFFFAOYSA-N -1 0 346.427 3.728 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)N[C@H]2C[C@H]2C2CCCCC2)cc1 ZINC000833239808 601035800 /nfs/dbraw/zinc/03/58/00/601035800.db2.gz WJYFFKOUFJQENJ-IRXDYDNUSA-N -1 0 346.427 3.630 20 0 EHADRM C[C@]1(c2ccccc2)C[C@H]1NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000828121150 601036879 /nfs/dbraw/zinc/03/68/79/601036879.db2.gz FELCEPQCTUMPGD-CRAIPNDOSA-N -1 0 343.358 3.767 20 0 EHADRM Cc1cnc([C@H](NC(=O)Nc2ccc(C(=O)[O-])cc2F)C2CC2)s1 ZINC000821140838 601044432 /nfs/dbraw/zinc/04/44/32/601044432.db2.gz GTKLIMHEGMMNHH-CYBMUJFWSA-N -1 0 349.387 3.562 20 0 EHADRM CCSCC[C@@H](C)N(C)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000820405123 601044459 /nfs/dbraw/zinc/04/44/59/601044459.db2.gz CKILQDHZOHVONJ-SNVBAGLBSA-N -1 0 328.409 3.519 20 0 EHADRM Cc1cc(C)cc(C[C@H](C)NC(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC000832877337 601044961 /nfs/dbraw/zinc/04/49/61/601044961.db2.gz VKLASJKXBABIKQ-ZDUSSCGKSA-N -1 0 344.386 3.893 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1 ZINC000833282364 601053436 /nfs/dbraw/zinc/05/34/36/601053436.db2.gz VZGFEVVFUIKRIZ-IIAWOOMASA-N -1 0 331.416 3.545 20 0 EHADRM O=C([O-])CCCCNC(=O)c1ccccc1Sc1ccccc1 ZINC000237917990 601057202 /nfs/dbraw/zinc/05/72/02/601057202.db2.gz PXASHDWMRTYJCY-UHFFFAOYSA-N -1 0 329.421 3.823 20 0 EHADRM Cc1c(NC(=O)[C@H](C)CCOc2ccccc2)cccc1C(=O)[O-] ZINC000675967009 601058744 /nfs/dbraw/zinc/05/87/44/601058744.db2.gz WFNGRQJPQFKEPG-CYBMUJFWSA-N -1 0 327.380 3.737 20 0 EHADRM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])o1)c1ccc(Cl)c(Cl)c1 ZINC000517047921 601058862 /nfs/dbraw/zinc/05/88/62/601058862.db2.gz DTJXDKSBTRZMPM-MRVPVSSYSA-N -1 0 342.178 3.705 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)[C@H]1Cc2ccccc21 ZINC000678981942 601059430 /nfs/dbraw/zinc/05/94/30/601059430.db2.gz JZXFGALCJQNBPM-AWEZNQCLSA-N -1 0 337.400 3.556 20 0 EHADRM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000828151295 601060636 /nfs/dbraw/zinc/06/06/36/601060636.db2.gz UXIQCHKGUKITLW-ZBFHGGJFSA-N -1 0 338.407 3.870 20 0 EHADRM C[C@@H](CCOc1ccccc1)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000827417454 601061507 /nfs/dbraw/zinc/06/15/07/601061507.db2.gz JCNUJHZNLXROAW-AWEZNQCLSA-N -1 0 342.395 3.845 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000643865229 601063268 /nfs/dbraw/zinc/06/32/68/601063268.db2.gz FHNQFXOKVHJHAT-NWDGAFQWSA-N -1 0 345.361 3.672 20 0 EHADRM Cc1ccsc1C(=O)OCCOc1ccc(C(=O)[O-])cc1Cl ZINC000832983867 601064056 /nfs/dbraw/zinc/06/40/56/601064056.db2.gz FLYFMJCILWVQRY-UHFFFAOYSA-N -1 0 340.784 3.644 20 0 EHADRM Cc1ccc(NC(=O)c2csc(Br)c2)cc1C(=O)[O-] ZINC000110987864 601064376 /nfs/dbraw/zinc/06/43/76/601064376.db2.gz BWMQVJDPMCJCOO-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1C(=O)[O-] ZINC000832948321 601064432 /nfs/dbraw/zinc/06/44/32/601064432.db2.gz ZUKZAUVBDZTMER-UHFFFAOYSA-N -1 0 340.379 3.540 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(COC(C)C)cc2)cc1C(=O)[O-] ZINC000261755149 601065478 /nfs/dbraw/zinc/06/54/78/601065478.db2.gz VDFHEFBMCQQVJY-UHFFFAOYSA-N -1 0 327.380 3.871 20 0 EHADRM O=C([O-])[C@@H](OC(=O)CCc1ccccc1Cl)c1ccccc1F ZINC000833102903 601066319 /nfs/dbraw/zinc/06/63/19/601066319.db2.gz WEJQXTLURSCYJW-INIZCTEOSA-N -1 0 336.746 3.781 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2SCCc3ccccc32)cc1C(=O)[O-] ZINC000237706519 601067793 /nfs/dbraw/zinc/06/77/93/601067793.db2.gz FOLAZQRKOIKRHL-INIZCTEOSA-N -1 0 327.405 3.662 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2cccc3cnccc32)c1 ZINC000833297739 601069091 /nfs/dbraw/zinc/06/90/91/601069091.db2.gz MRFDGQZOPXFBPU-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM CCCn1ccc2ccc(NC(=O)NCCCCCC(=O)[O-])cc21 ZINC000417742798 601070492 /nfs/dbraw/zinc/07/04/92/601070492.db2.gz BMVJKCRHTVGQDU-UHFFFAOYSA-N -1 0 331.416 3.818 20 0 EHADRM CC(C)CCC(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000826845785 601072226 /nfs/dbraw/zinc/07/22/26/601072226.db2.gz ZNDUPJDLEYVADO-UHFFFAOYSA-N -1 0 333.409 3.988 20 0 EHADRM CC(C)[C@H](CC(=O)NC[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000262554402 601072302 /nfs/dbraw/zinc/07/23/02/601072302.db2.gz XUYNXYBSZATMOS-OALUTQOASA-N -1 0 339.435 3.801 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000315576045 601072417 /nfs/dbraw/zinc/07/24/17/601072417.db2.gz OFIZQIZADFTCAN-ZDUSSCGKSA-N -1 0 338.190 3.592 20 0 EHADRM CCC(CC)NC(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000828862593 601073675 /nfs/dbraw/zinc/07/36/75/601073675.db2.gz QKAQYNAJDSVXKK-UHFFFAOYSA-N -1 0 347.184 3.597 20 0 EHADRM CCSCc1cccc(NC(=O)N2CCC(CC(=O)[O-])CC2)c1 ZINC000830169802 601074015 /nfs/dbraw/zinc/07/40/15/601074015.db2.gz YSBOIPPGEAIJID-UHFFFAOYSA-N -1 0 336.457 3.658 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000262171371 601078929 /nfs/dbraw/zinc/07/89/29/601078929.db2.gz NWUFDUARMNQTJU-IRXDYDNUSA-N -1 0 343.448 3.542 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccc2cc(O)ccc2c1)c1ccccc1F ZINC000833352500 601078952 /nfs/dbraw/zinc/07/89/52/601078952.db2.gz XPELLNPYQZHFBY-QGZVFWFLSA-N -1 0 340.306 3.667 20 0 EHADRM CSCc1cc(C(=O)Nc2ccc(CC(=O)[O-])cc2)ccc1F ZINC000347107209 601080581 /nfs/dbraw/zinc/08/05/81/601080581.db2.gz MSZYVQNWLRPBFM-UHFFFAOYSA-N -1 0 333.384 3.568 20 0 EHADRM CSCc1cc(C(=O)NC2(C(=O)[O-])CCCCCC2)ccc1F ZINC000431972288 601080761 /nfs/dbraw/zinc/08/07/61/601080761.db2.gz JLZZWXGLSKZVMZ-UHFFFAOYSA-N -1 0 339.432 3.596 20 0 EHADRM CC[C@@H](CC1CCCCC1)C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000486341222 601082359 /nfs/dbraw/zinc/08/23/59/601082359.db2.gz AHXNASWTBGDIDQ-WMZOPIPTSA-N -1 0 331.456 3.968 20 0 EHADRM C[C@H](C(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-])c1cccs1 ZINC000825977365 601084107 /nfs/dbraw/zinc/08/41/07/601084107.db2.gz FEXQXNLHJFZOOZ-CFVMTHIKSA-N -1 0 335.469 3.734 20 0 EHADRM C[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000383908608 601086918 /nfs/dbraw/zinc/08/69/18/601086918.db2.gz DYHQMLNSSSTFMN-ZDUSSCGKSA-N -1 0 341.411 3.669 20 0 EHADRM CCc1ccsc1C(=O)N1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000830282449 601088094 /nfs/dbraw/zinc/08/80/94/601088094.db2.gz WNTRTZUZFGKEHI-LSDHHAIUSA-N -1 0 335.469 3.806 20 0 EHADRM CSCC[C@H](C)N(C)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000322238665 601091293 /nfs/dbraw/zinc/09/12/93/601091293.db2.gz FTCBAKNILVSRJA-LBPRGKRZSA-N -1 0 338.473 3.654 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N[C@H]2C[C@H]2c2ccccc2)cc1 ZINC000327216080 601091454 /nfs/dbraw/zinc/09/14/54/601091454.db2.gz SQVTXGWXBRTFST-IRXDYDNUSA-N -1 0 338.407 3.726 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1cc2c(s1)CCC2 ZINC000833180374 601093640 /nfs/dbraw/zinc/09/36/40/601093640.db2.gz UFXSOUBIVRGOAN-CABCVRRESA-N -1 0 347.480 3.732 20 0 EHADRM CCO[C@H]1C[C@H](NC(=O)c2cccc(NC(=O)[O-])c2)C12CCCCC2 ZINC000737164390 601094719 /nfs/dbraw/zinc/09/47/19/601094719.db2.gz DGRCHALDJNRZPH-HOTGVXAUSA-N -1 0 346.427 3.634 20 0 EHADRM CC(C)C[C@@H]1CCN(C(=O)c2ccccc2S[C@H](C)C(=O)[O-])C1 ZINC000236649367 601095875 /nfs/dbraw/zinc/09/58/75/601095875.db2.gz JJVRZOKTQVIBKN-KGLIPLIRSA-N -1 0 335.469 3.760 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1cccc(CC(F)(F)F)c1)C(=O)[O-] ZINC000424383567 601099953 /nfs/dbraw/zinc/09/99/53/601099953.db2.gz PUKWBHSSTBPROZ-GFCCVEGCSA-N -1 0 346.349 3.660 20 0 EHADRM C[C@@H](OC(=O)c1ccccc1N(C)C(=O)[O-])c1cc(F)ccc1F ZINC000827866411 601116682 /nfs/dbraw/zinc/11/66/82/601116682.db2.gz CMLVJSBUPASCJP-SNVBAGLBSA-N -1 0 335.306 3.997 20 0 EHADRM Cc1cc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)ccc1Br ZINC000108654663 601125396 /nfs/dbraw/zinc/12/53/96/601125396.db2.gz WRUZQAPOJGPZLS-WDEREUQCSA-N -1 0 340.217 3.587 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000183961592 601125697 /nfs/dbraw/zinc/12/56/97/601125697.db2.gz SLWUQHYWLWECGG-IUCAKERBSA-N -1 0 347.745 3.771 20 0 EHADRM Cc1ccc(NC(=O)N(C[C@@H]2CCCO2)C2CCCC2)cc1C(=O)[O-] ZINC000832944766 601133426 /nfs/dbraw/zinc/13/34/26/601133426.db2.gz LWCVJDVUDPJKML-INIZCTEOSA-N -1 0 346.427 3.649 20 0 EHADRM Cc1c(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)cnc2ccccc12 ZINC000431438677 601137900 /nfs/dbraw/zinc/13/79/00/601137900.db2.gz NECBEKRLSZIFFC-SFHVURJKSA-N -1 0 348.402 3.879 20 0 EHADRM O=C([O-])CC1(NC(=O)c2ccc(Oc3ccccc3)o2)CCCCC1 ZINC000538505645 601138776 /nfs/dbraw/zinc/13/87/76/601138776.db2.gz GUGVUUJZRXRSGE-UHFFFAOYSA-N -1 0 343.379 3.979 20 0 EHADRM Cc1ccc(NC(=O)N[C@H]2CCc3cc(F)ccc32)cc1C(=O)[O-] ZINC000832947312 601139170 /nfs/dbraw/zinc/13/91/70/601139170.db2.gz RHWQCIBWFVPSDN-INIZCTEOSA-N -1 0 328.343 3.641 20 0 EHADRM Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)s1 ZINC000832994817 601139988 /nfs/dbraw/zinc/13/99/88/601139988.db2.gz QYKICLBBUONPKT-LLVKDONJSA-N -1 0 347.440 3.991 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H]2CCc3c2cccc3F)cc1C(=O)[O-] ZINC000832947555 601140056 /nfs/dbraw/zinc/14/00/56/601140056.db2.gz RMXGLZUFKCVMAU-MRXNPFEDSA-N -1 0 328.343 3.641 20 0 EHADRM Cc1ccc(NC(=O)N(C)CCc2ccccc2F)cc1C(=O)[O-] ZINC000832944590 601140419 /nfs/dbraw/zinc/14/04/19/601140419.db2.gz HYHCRIWDTJTKLA-UHFFFAOYSA-N -1 0 330.359 3.539 20 0 EHADRM C[C@H](C(=O)N(CC(=O)[O-])c1cccc(F)c1)c1cccc(Cl)c1 ZINC000825972562 601142749 /nfs/dbraw/zinc/14/27/49/601142749.db2.gz XDRVGDWJVRAEMD-NSHDSACASA-N -1 0 335.762 3.700 20 0 EHADRM Cc1ccc(NC(=O)N2CC[C@H](Cc3ccccc3)C2)cc1C(=O)[O-] ZINC000832946407 601142763 /nfs/dbraw/zinc/14/27/63/601142763.db2.gz VKTCALGVEAOOKD-MRXNPFEDSA-N -1 0 338.407 3.790 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](C)CCc2ccc(O)cc2)cc1C(=O)[O-] ZINC000832947096 601143714 /nfs/dbraw/zinc/14/37/14/601143714.db2.gz TVALLMLWLRDIRY-ZDUSSCGKSA-N -1 0 342.395 3.542 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Oc2ccc(N3CCCC3)cc2)cc1 ZINC000833284360 601144099 /nfs/dbraw/zinc/14/40/99/601144099.db2.gz SDGVLGGGHYMDNW-UHFFFAOYSA-N -1 0 326.352 3.596 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC000827907928 601146437 /nfs/dbraw/zinc/14/64/37/601146437.db2.gz CMWAHELNTROAAI-ZDUSSCGKSA-N -1 0 347.411 3.565 20 0 EHADRM CCCCCn1nc(C)cc1NC(=O)c1ccccc1NC(=O)[O-] ZINC000829373185 601148253 /nfs/dbraw/zinc/14/82/53/601148253.db2.gz KDVCGWRMDSWECU-UHFFFAOYSA-N -1 0 330.388 3.724 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cc2occc2s1)c1ccccc1 ZINC000826039127 601171316 /nfs/dbraw/zinc/17/13/16/601171316.db2.gz NDLSVZDBKOBQST-MEBBXXQBSA-N -1 0 329.377 3.686 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Oc2ccc(Oc3nccs3)cc2)C1 ZINC000833186628 601173587 /nfs/dbraw/zinc/17/35/87/601173587.db2.gz GNFFYSALIIARAC-NEPJUHHUSA-N -1 0 347.392 3.732 20 0 EHADRM CC[C@H](C)CN(CC)C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000828747232 601189693 /nfs/dbraw/zinc/18/96/93/601189693.db2.gz MHQONPFWUMGHOZ-AWEZNQCLSA-N -1 0 347.459 3.885 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)OCc2ccccc2C(F)(F)F)C1 ZINC000833185346 601193076 /nfs/dbraw/zinc/19/30/76/601193076.db2.gz CAPDBRVYHWEFMV-WDEREUQCSA-N -1 0 330.302 3.640 20 0 EHADRM CCO[C@H](C)c1nc(CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cs1 ZINC000829902027 601202942 /nfs/dbraw/zinc/20/29/42/601202942.db2.gz XJIOERQMCQEXRC-ZENOOKHLSA-N -1 0 348.468 3.792 20 0 EHADRM Cc1ccc(S(=O)(=O)Oc2ccccc2NC(=O)[O-])c(Cl)c1 ZINC000832957131 601226904 /nfs/dbraw/zinc/22/69/04/601226904.db2.gz ZOLJLHZWEJVINS-UHFFFAOYSA-N -1 0 341.772 3.506 20 0 EHADRM O=C([O-])c1cc(C(=O)Nc2ccccc2Oc2ccccc2)ccn1 ZINC000238181807 601242145 /nfs/dbraw/zinc/24/21/45/601242145.db2.gz KLWCBIIVUKNDSU-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000190757584 601253646 /nfs/dbraw/zinc/25/36/46/601253646.db2.gz NNGUABCTIJJOAY-UHFFFAOYSA-N -1 0 346.814 3.701 20 0 EHADRM COc1cccc(/C(C)=C/C(=O)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC000237355877 601264939 /nfs/dbraw/zinc/26/49/39/601264939.db2.gz TZPKASYCBMVJOT-WYMLVPIESA-N -1 0 339.391 3.754 20 0 EHADRM CCC1CCC(NC(=O)[C@@H]2CCSc3ccccc32)(C(=O)[O-])CC1 ZINC000829086490 601275321 /nfs/dbraw/zinc/27/53/21/601275321.db2.gz NKUWYHOULILXKT-SHBDPFAUSA-N -1 0 347.480 3.806 20 0 EHADRM CCC1CCC(NC(=O)Cc2c(C)[nH]c3ccccc32)(C(=O)[O-])CC1 ZINC000326746900 601275592 /nfs/dbraw/zinc/27/55/92/601275592.db2.gz KUWPTMMTDOFAPG-UHFFFAOYSA-N -1 0 342.439 3.559 20 0 EHADRM CC(C)[C@@H](C(=O)NCCCCCC(=O)[O-])c1cccc(Cl)c1 ZINC000236645252 601277277 /nfs/dbraw/zinc/27/72/77/601277277.db2.gz PXXOCQWCDIUCHD-MRXNPFEDSA-N -1 0 325.836 3.841 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C/C=C\c1cccc(F)c1)c1ccccc1 ZINC000362427844 601277981 /nfs/dbraw/zinc/27/79/81/601277981.db2.gz MJQWXTBZQCLLEC-XTKXOIQPSA-N -1 0 327.355 3.561 20 0 EHADRM CCc1[nH]c(C(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)c(C)c1C(=O)[O-] ZINC000830183016 601278888 /nfs/dbraw/zinc/27/88/88/601278888.db2.gz ACFWAKFMABERPY-DZGCQCFKSA-N -1 0 340.423 3.602 20 0 EHADRM O=C([O-])c1cc(C(=O)N2Cc3ccccc3-c3ccccc32)ccn1 ZINC000833296483 601279185 /nfs/dbraw/zinc/27/91/85/601279185.db2.gz XKZFGEQQDRWXHB-UHFFFAOYSA-N -1 0 330.343 3.607 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000776593994 601280451 /nfs/dbraw/zinc/28/04/51/601280451.db2.gz ZWYAPMXBRQBPOJ-JICACKBISA-N -1 0 345.345 3.700 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000825798759 601280537 /nfs/dbraw/zinc/28/05/37/601280537.db2.gz WVXADJLNUCAELX-QXMHVHEDSA-N -1 0 328.343 3.982 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)C/C=C/c1cccc(F)c1 ZINC000675946256 601280590 /nfs/dbraw/zinc/28/05/90/601280590.db2.gz ANRKFCIGNLUFQF-WEVVVXLNSA-N -1 0 341.382 3.733 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000825798386 601281248 /nfs/dbraw/zinc/28/12/48/601281248.db2.gz ITHCJOCLVJGQFW-OUKQBFOZSA-N -1 0 343.354 3.721 20 0 EHADRM C[C@@H](C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1)C1CCCC1 ZINC000825977487 601284242 /nfs/dbraw/zinc/28/42/42/601284242.db2.gz IIFWMLAXDDDFHU-GFCCVEGCSA-N -1 0 339.382 3.594 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000825798465 601285424 /nfs/dbraw/zinc/28/54/24/601285424.db2.gz KQPKCEOEGYAFSO-QBFSEMIESA-N -1 0 342.370 3.978 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000776619916 601286157 /nfs/dbraw/zinc/28/61/57/601286157.db2.gz AHIJPOPSSHWGJF-QOHRORDFSA-N -1 0 327.355 3.513 20 0 EHADRM CN(C(=O)C/C=C\c1cccc(F)c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000830471328 601286484 /nfs/dbraw/zinc/28/64/84/601286484.db2.gz BMOMYDMLTPVTDX-XOWYPZSQSA-N -1 0 327.355 3.513 20 0 EHADRM C[C@@H](c1ccccc1)[C@](C)(O)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000827941790 601287357 /nfs/dbraw/zinc/28/73/57/601287357.db2.gz LXFUTZPUIILFLL-VOJFVSQTSA-N -1 0 347.798 3.531 20 0 EHADRM CN(C(=O)C/C=C\c1ccc(F)cc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000767021691 601287406 /nfs/dbraw/zinc/28/74/06/601287406.db2.gz NVPOJOACPHIWCI-OOFWQKGWSA-N -1 0 327.355 3.513 20 0 EHADRM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2ccnc(C(=O)[O-])c2)cc1 ZINC000439789651 601289351 /nfs/dbraw/zinc/28/93/51/601289351.db2.gz FIRKMCIMFYSQRS-KSSFIOAISA-N -1 0 338.407 3.702 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cccc2[nH]ccc21)c1cccc(Cl)c1 ZINC000776678250 601290862 /nfs/dbraw/zinc/29/08/62/601290862.db2.gz PQENPUHVWLGCDT-INIZCTEOSA-N -1 0 342.782 3.767 20 0 EHADRM Cc1ccccc1SCC(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000237743088 601296004 /nfs/dbraw/zinc/29/60/04/601296004.db2.gz IIXIFTSIAUNCAC-KDOFPFPSSA-N -1 0 343.448 3.665 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)[C@H]1CCCc2ccccc21)c1ccccc1 ZINC000262529428 601296957 /nfs/dbraw/zinc/29/69/57/601296957.db2.gz OMGYYBGWXQIATM-JVPBZIDWSA-N -1 0 337.419 3.685 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)CCCc1ccccc1)c1ccccc1 ZINC000237605106 601298709 /nfs/dbraw/zinc/29/87/09/601298709.db2.gz GJZQYONYBDCCCC-KXBFYZLASA-N -1 0 325.408 3.588 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(-c2ccccc2F)o1 ZINC000262239302 601308027 /nfs/dbraw/zinc/30/80/27/601308027.db2.gz WJVTXDDXBLYNRR-UHFFFAOYSA-N -1 0 333.359 3.849 20 0 EHADRM CSc1ccccc1NC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000832790806 601308476 /nfs/dbraw/zinc/30/84/76/601308476.db2.gz VEVXMCQFFONRBK-CQSZACIVSA-N -1 0 348.399 3.885 20 0 EHADRM Cc1cc(F)ccc1NC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000832888621 601309653 /nfs/dbraw/zinc/30/96/53/601309653.db2.gz ALYMBDFASWJGLP-HNNXBMFYSA-N -1 0 334.322 3.611 20 0 EHADRM Cn1cc(NC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)cc1C(=O)[O-] ZINC000833045800 601312944 /nfs/dbraw/zinc/31/29/44/601312944.db2.gz ORNNARIDMYBQSF-SJORKVTESA-N -1 0 334.375 3.619 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2cc(C(=O)[O-])n(C)c2)c1 ZINC000832921562 601322783 /nfs/dbraw/zinc/32/27/83/601322783.db2.gz OFRGSRXDUZISEJ-CYBMUJFWSA-N -1 0 344.411 3.561 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000828200344 601335523 /nfs/dbraw/zinc/33/55/23/601335523.db2.gz FJDPMJTUEOUUIS-IOASZLSFSA-N -1 0 331.416 3.986 20 0 EHADRM C[C@@H](SCc1cc(Br)ccc1OC(F)F)C(=O)[O-] ZINC000827908299 601344566 /nfs/dbraw/zinc/34/45/66/601344566.db2.gz JLPQSVMXUABFOG-ZCFIWIBFSA-N -1 0 341.173 3.757 20 0 EHADRM C[C@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccc(Cl)s1 ZINC000761663379 601391873 /nfs/dbraw/zinc/39/18/73/601391873.db2.gz KIGYWGAFIXUMLL-ZETCQYMHSA-N -1 0 327.764 3.981 20 0 EHADRM C[C@H](CC(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-])c1ccc(F)cc1 ZINC000262471858 601392457 /nfs/dbraw/zinc/39/24/57/601392457.db2.gz JNDCIPVILCSBMK-LPMFXHHGSA-N -1 0 343.398 3.898 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC000678975468 601393212 /nfs/dbraw/zinc/39/32/12/601393212.db2.gz GIIBQNXLWUHTCO-GFCCVEGCSA-N -1 0 327.380 3.834 20 0 EHADRM CCCNc1nnc(SCc2cc(C(=O)[O-])oc2CC)s1 ZINC000829519752 601395423 /nfs/dbraw/zinc/39/54/23/601395423.db2.gz QYBBPWFSSLEHNR-UHFFFAOYSA-N -1 0 327.431 3.506 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CSc1n[nH]c(-c2ccccc2)n1 ZINC000830398452 601405210 /nfs/dbraw/zinc/40/52/10/601405210.db2.gz NDQDVRVTNFFEHY-UHFFFAOYSA-N -1 0 329.381 3.618 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000830369630 601413617 /nfs/dbraw/zinc/41/36/17/601413617.db2.gz QNJKJLKPVHSZCD-CYBMUJFWSA-N -1 0 345.399 3.528 20 0 EHADRM CC[C@H](C)[C@@H](C)NC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000828709715 601413668 /nfs/dbraw/zinc/41/36/68/601413668.db2.gz SQAJLBUXCAUMOS-WDMOLILDSA-N -1 0 326.824 3.590 20 0 EHADRM CCc1oc(C(=O)[O-])cc1C[N@H+](C)[C@H]1CCCc2nc(C)sc21 ZINC000571172330 601417789 /nfs/dbraw/zinc/41/77/89/601417789.db2.gz VZLDADTUCZHTQO-ZDUSSCGKSA-N -1 0 334.441 3.815 20 0 EHADRM C[C@H](OC(=O)Cc1coc2cc(F)ccc12)c1ccc(C(=O)[O-])o1 ZINC000827839291 601430540 /nfs/dbraw/zinc/43/05/40/601430540.db2.gz PXAFAFSLPFNKOR-VIFPVBQESA-N -1 0 332.283 3.710 20 0 EHADRM Cc1nc(CCCC(=O)Nc2sc(C)c(C)c2C(=O)[O-])cs1 ZINC000832999233 601440546 /nfs/dbraw/zinc/44/05/46/601440546.db2.gz WRSUUGNSCGJSAQ-UHFFFAOYSA-N -1 0 338.454 3.789 20 0 EHADRM O=C([O-])c1cc(NCc2nccn2Cc2ccccc2)ccc1Cl ZINC000833300883 601446650 /nfs/dbraw/zinc/44/66/50/601446650.db2.gz SPMGNYQHINQFOB-UHFFFAOYSA-N -1 0 341.798 3.895 20 0 EHADRM CCN(C(=O)Cc1coc2cc(F)ccc12)c1ccccc1C(=O)[O-] ZINC000829597332 601451868 /nfs/dbraw/zinc/45/18/68/601451868.db2.gz LLUKKDJBPYGZLO-UHFFFAOYSA-N -1 0 341.338 3.866 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)c1cccc(F)c1Cl ZINC000830390305 601467715 /nfs/dbraw/zinc/46/77/15/601467715.db2.gz FASFJXWFRZIPTR-UHFFFAOYSA-N -1 0 326.707 3.690 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)Cc1coc2cc(F)ccc12 ZINC000830388013 601467803 /nfs/dbraw/zinc/46/78/03/601467803.db2.gz DLDCTRYOAPWZQM-UHFFFAOYSA-N -1 0 346.310 3.711 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CCc1ccc(-c2ccccc2)o1 ZINC000236997205 601469264 /nfs/dbraw/zinc/46/92/64/601469264.db2.gz XLPQLNGVXGEKKN-IBGZPJMESA-N -1 0 329.396 3.639 20 0 EHADRM COc1ccc([C@H](C)CC(=O)OCc2cccc(C(=O)[O-])c2)cc1 ZINC000832221238 601474374 /nfs/dbraw/zinc/47/43/74/601474374.db2.gz WSARKAOQEHLWCV-CYBMUJFWSA-N -1 0 328.364 3.630 20 0 EHADRM CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000830158570 601478131 /nfs/dbraw/zinc/47/81/31/601478131.db2.gz XZWMDYIBYQUCOU-TZMCWYRMSA-N -1 0 340.420 3.710 20 0 EHADRM Cc1ccc(/C=C/CC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000237796603 601502331 /nfs/dbraw/zinc/50/23/31/601502331.db2.gz DQLDYAKKFFCZFL-NSCUHMNNSA-N -1 0 340.335 3.643 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000767070903 601521981 /nfs/dbraw/zinc/52/19/81/601521981.db2.gz BDXRIQHOZLEGQG-LKFCYVNXSA-N -1 0 344.238 3.542 20 0 EHADRM CCc1ccccc1NC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000237029346 601526973 /nfs/dbraw/zinc/52/69/73/601526973.db2.gz SMGKWSJPXGZJEF-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM Cc1ccccc1C1(C(=O)N[C@@H](CC(=O)[O-])C2CC2)CCCCC1 ZINC000832981188 601530862 /nfs/dbraw/zinc/53/08/62/601530862.db2.gz BNWAQYBDRSUUMR-KRWDZBQOSA-N -1 0 329.440 3.566 20 0 EHADRM Cc1cc(C(=O)N(c2ccccc2)C(C)C)cc(C)c1OCC(=O)[O-] ZINC000832861187 601535922 /nfs/dbraw/zinc/53/59/22/601535922.db2.gz YYJRECLJIZYPBV-UHFFFAOYSA-N -1 0 341.407 3.822 20 0 EHADRM O=C([O-])CCCCNC(=O)N1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000666558639 601555561 /nfs/dbraw/zinc/55/55/61/601555561.db2.gz IVRHAERYMKDHON-SWNWVQGVSA-N -1 0 344.455 3.909 20 0 EHADRM CC[C@H](C)[C@H](C)N(C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1)C1CC1 ZINC000236986022 601556655 /nfs/dbraw/zinc/55/66/55/601556655.db2.gz LSLJRCBQMIFPBU-WFASDCNBSA-N -1 0 347.455 3.806 20 0 EHADRM O=C([O-])c1ccc(-c2ccc(C(=O)OCC(=O)C3CCC3)cc2)cc1 ZINC000833308751 601566893 /nfs/dbraw/zinc/56/68/93/601566893.db2.gz SGHIVGDPIAVKRD-UHFFFAOYSA-N -1 0 338.359 3.578 20 0 EHADRM O=C([O-])[C@H](NC(=O)C/C=C\c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000537365206 601584933 /nfs/dbraw/zinc/58/49/33/601584933.db2.gz HPVXRWQNFKOCIW-NLVOMGJBSA-N -1 0 347.773 3.825 20 0 EHADRM O=C([O-])[C@@H](NC(=O)C/C=C/c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000537365205 601584970 /nfs/dbraw/zinc/58/49/70/601584970.db2.gz HPVXRWQNFKOCIW-IMLGJKEDSA-N -1 0 347.773 3.825 20 0 EHADRM C[C@@H](C(=O)NCC1(C(=O)[O-])CCCC1)c1c(Cl)cccc1Cl ZINC000678983839 601602301 /nfs/dbraw/zinc/60/23/01/601602301.db2.gz YYDFWKDHJQXZNY-SNVBAGLBSA-N -1 0 344.238 3.858 20 0 EHADRM Cc1nc(CC(C)C)c(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)s1 ZINC000832998378 601606231 /nfs/dbraw/zinc/60/62/31/601606231.db2.gz KVKIVESIGUCSGG-VIFPVBQESA-N -1 0 337.397 3.859 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Nc1ccc(F)c(F)c1)c1ccccc1 ZINC000826038961 601614390 /nfs/dbraw/zinc/61/43/90/601614390.db2.gz KBWZDDQBRSSACG-BMIGLBTASA-N -1 0 334.322 3.548 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccccc2CC(=O)[O-])o1 ZINC000324484370 601614828 /nfs/dbraw/zinc/61/48/28/601614828.db2.gz HPUZJQBBYNSRIA-IUODEOHRSA-N -1 0 327.380 3.601 20 0 EHADRM CSc1ccccc1NC(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832790235 601615187 /nfs/dbraw/zinc/61/51/87/601615187.db2.gz KUADMPDISKOJRO-MLGOLLRUSA-N -1 0 344.436 3.992 20 0 EHADRM Cc1cc2occ(CC(=O)Nc3ccccc3CC(=O)[O-])c2cc1C ZINC000237917733 601616272 /nfs/dbraw/zinc/61/62/72/601616272.db2.gz AXWPFQGZCINVPA-UHFFFAOYSA-N -1 0 337.375 3.858 20 0 EHADRM Cc1ccc(CCC(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000345892954 601620021 /nfs/dbraw/zinc/62/00/21/601620021.db2.gz VFWIHTZOFLDHOL-KRWDZBQOSA-N -1 0 345.826 3.913 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CSc1nccc(C(F)(F)F)n1 ZINC000833032114 601621600 /nfs/dbraw/zinc/62/16/00/601621600.db2.gz ZSCJQAVNJIIQOL-UHFFFAOYSA-N -1 0 334.344 3.856 20 0 EHADRM CCSc1nnc(SCc2ccc(C(=O)[O-])c(F)c2)s1 ZINC000830174653 601621911 /nfs/dbraw/zinc/62/19/11/601621911.db2.gz WJAFDQLRDUTXCQ-UHFFFAOYSA-N -1 0 330.431 3.780 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc(F)cc(F)c1)c1ccc(Cl)cc1 ZINC000013174706 601622051 /nfs/dbraw/zinc/62/20/51/601622051.db2.gz VWVIFBXHISLEHG-AWEZNQCLSA-N -1 0 339.725 3.564 20 0 EHADRM CCn1c(SCc2cc(C(=O)[O-])sc2C)nnc1-c1ccco1 ZINC000830416191 601622877 /nfs/dbraw/zinc/62/28/77/601622877.db2.gz KYJNHCGZXFPQLV-UHFFFAOYSA-N -1 0 349.437 3.918 20 0 EHADRM Cc1cc(NC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])ccc1F ZINC000832894593 601623959 /nfs/dbraw/zinc/62/39/59/601623959.db2.gz FCIQJVQSOXHRIK-BLLLJJGKSA-N -1 0 330.359 3.718 20 0 EHADRM Cc1ccc(-c2ncc(C(=O)N3CCCC[C@@H]3C(=O)[O-])s2)c(C)c1 ZINC000675952222 601628097 /nfs/dbraw/zinc/62/80/97/601628097.db2.gz XBYIUMXJHSNFRH-CQSZACIVSA-N -1 0 344.436 3.506 20 0 EHADRM C[C@@H](c1ccc2ccccc2c1)N(C(=O)NCCCC(=O)[O-])C1CC1 ZINC000263478037 601628145 /nfs/dbraw/zinc/62/81/45/601628145.db2.gz NERNZRMXMJLWSX-AWEZNQCLSA-N -1 0 340.423 3.940 20 0 EHADRM O=C([O-])[C@H]1CCCCN1C(=O)Cc1coc2ccc3ccccc3c12 ZINC000531995703 601628533 /nfs/dbraw/zinc/62/85/33/601628533.db2.gz FHWNEUKYWFFPCY-MRXNPFEDSA-N -1 0 337.375 3.594 20 0 EHADRM O=C([O-])[C@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000136537516 601628851 /nfs/dbraw/zinc/62/88/51/601628851.db2.gz PXVDGCDDAGBXHW-HZSPNIEDSA-N -1 0 342.222 3.563 20 0 EHADRM C[C@H](C(=O)N1CCCC[C@@H]1C(=O)[O-])c1c(Cl)cccc1Cl ZINC000666361800 601629361 /nfs/dbraw/zinc/62/93/61/601629361.db2.gz WWVMAJXIPSOHJA-JOYOIKCWSA-N -1 0 330.211 3.563 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cnc(Cc3ccccc3)s2)cc1 ZINC000238192879 601635371 /nfs/dbraw/zinc/63/53/71/601635371.db2.gz OKBRCSUJMDXNKB-UHFFFAOYSA-N -1 0 338.388 3.684 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)CCCc2ccc(F)c(F)c2)cc1 ZINC000833266579 601647743 /nfs/dbraw/zinc/64/77/43/601647743.db2.gz RHPGHTKDILUWFA-UHFFFAOYSA-N -1 0 334.318 3.520 20 0 EHADRM CCc1[nH]c(C(=O)N[C@@H](C)c2ccc(F)c(C)c2)c(C)c1C(=O)[O-] ZINC000830190879 601664082 /nfs/dbraw/zinc/66/40/82/601664082.db2.gz DEKSROTWLCDNQH-NSHDSACASA-N -1 0 332.375 3.522 20 0 EHADRM C[C@H](Sc1ccccc1)c1ccc(NC(=O)CNC(=O)[O-])cc1 ZINC000827914802 601664952 /nfs/dbraw/zinc/66/49/52/601664952.db2.gz GIDYQFVTBAIRTN-LBPRGKRZSA-N -1 0 330.409 3.746 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)c2c[nH]nc2-c2ccccc2F)c1 ZINC000833289179 601669228 /nfs/dbraw/zinc/66/92/28/601669228.db2.gz PSTOZLQRZBXXMI-UHFFFAOYSA-N -1 0 340.314 3.558 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CSc1nnc(NCC(C)C)s1 ZINC000833031838 601673607 /nfs/dbraw/zinc/67/36/07/601673607.db2.gz SMQVJAUUKUXTJJ-UHFFFAOYSA-N -1 0 343.499 3.966 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)[C@H]2C[C@H]2Cc2ccccc2)ccc1F ZINC000833284221 601674744 /nfs/dbraw/zinc/67/47/44/601674744.db2.gz RELBSUFQYDFJSZ-OCCSQVGLSA-N -1 0 328.343 3.733 20 0 EHADRM CC[C@H](NC(=O)c1sc2cc(Cl)ccc2c1Cl)C(=O)[O-] ZINC000035096330 601675092 /nfs/dbraw/zinc/67/50/92/601675092.db2.gz FQVVNSAMYNSLQA-QMMMGPOBSA-N -1 0 332.208 3.801 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CSc1nnc(OC(C)C)s1 ZINC000833031907 601675291 /nfs/dbraw/zinc/67/52/91/601675291.db2.gz VTPRFZWPVVRXKL-UHFFFAOYSA-N -1 0 330.456 3.686 20 0 EHADRM CCCCC[C@@H](C(=O)N(C)c1nc(CC(=O)[O-])cs1)C(C)C ZINC000829305385 601678009 /nfs/dbraw/zinc/67/80/09/601678009.db2.gz VWKBYFXHJNZTRI-CYBMUJFWSA-N -1 0 326.462 3.586 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000181867582 601678999 /nfs/dbraw/zinc/67/89/99/601678999.db2.gz GMMYFTGOFLUCEB-UHFFFAOYSA-N -1 0 348.742 3.518 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CCC(=Cc3ccccc3F)CC2)C1 ZINC000833187691 601690399 /nfs/dbraw/zinc/69/03/99/601690399.db2.gz ZEEQUSMVGTZIIY-SJORKVTESA-N -1 0 345.414 3.723 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)N(CCC(F)(F)F)CC2CC2)c1 ZINC000833317813 601692916 /nfs/dbraw/zinc/69/29/16/601692916.db2.gz JIGIDHKLJUEHAG-UHFFFAOYSA-N -1 0 348.296 3.720 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc3sc4ccccc4c3s2)C[C@@H]1C(=O)[O-] ZINC000828394003 601694725 /nfs/dbraw/zinc/69/47/25/601694725.db2.gz NEOBAUDXOFNNNF-KOLCDFICSA-N -1 0 345.445 3.909 20 0 EHADRM C[C@H]1CN(C(=O)c2cc3sc4ccccc4c3s2)C[C@H]1C(=O)[O-] ZINC000828393995 601694778 /nfs/dbraw/zinc/69/47/78/601694778.db2.gz NEOBAUDXOFNNNF-GXSJLCMTSA-N -1 0 345.445 3.909 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2CCC(F)(F)F)nc1 ZINC000191139478 601701560 /nfs/dbraw/zinc/70/15/60/601701560.db2.gz LNKFZZFVRYTUTF-UHFFFAOYSA-N -1 0 338.285 3.527 20 0 EHADRM Cc1cccc(OCCCC(=O)OCc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000832972217 601702496 /nfs/dbraw/zinc/70/24/96/601702496.db2.gz QPEZECOSLKSBGY-UHFFFAOYSA-N -1 0 346.354 3.735 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)NCC(C)(C)C(=O)[O-] ZINC000262192423 601706325 /nfs/dbraw/zinc/70/63/25/601706325.db2.gz GZHQOKMTXMNSFK-UHFFFAOYSA-N -1 0 325.364 3.735 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3C[C@H](C(=O)[O-])[C@H](C)C3)c(F)c2)cc1 ZINC000832905809 601716871 /nfs/dbraw/zinc/71/68/71/601716871.db2.gz INFVXAQDCZSKKX-DYVFJYSZSA-N -1 0 341.382 3.594 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)C[C@H]1C ZINC000828378042 601718330 /nfs/dbraw/zinc/71/83/30/601718330.db2.gz OHPQMZFUZGWCBH-CHWSQXEVSA-N -1 0 336.457 3.514 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])cc2F)ccc1F ZINC000832871497 601718619 /nfs/dbraw/zinc/71/86/19/601718619.db2.gz SIEJOBFDJRTLED-SNVBAGLBSA-N -1 0 334.322 3.854 20 0 EHADRM COc1cccc([C@@H](C)C(=O)OCc2cc(C(=O)[O-])sc2C)c1 ZINC000832527798 601725116 /nfs/dbraw/zinc/72/51/16/601725116.db2.gz AKQUZKJJKSTKNU-SNVBAGLBSA-N -1 0 334.393 3.610 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000827587060 601725843 /nfs/dbraw/zinc/72/58/43/601725843.db2.gz ZMIUKQMVGBTLPL-NSHDSACASA-N -1 0 334.318 3.585 20 0 EHADRM COc1cccc([C@@H]2C[C@@H]2C(=O)OCc2cc(C(=O)[O-])sc2C)c1 ZINC000832539319 601727602 /nfs/dbraw/zinc/72/76/02/601727602.db2.gz AKKIMKXGMZQXCA-GJZGRUSLSA-N -1 0 346.404 3.610 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000832590024 601727739 /nfs/dbraw/zinc/72/77/39/601727739.db2.gz XJDUFACOOUYIEB-GFCCVEGCSA-N -1 0 346.354 3.770 20 0 EHADRM Cc1ccc2cccc(C(=O)OCc3ccc(C(=O)[O-])c(F)c3)c2n1 ZINC000832961966 601731049 /nfs/dbraw/zinc/73/10/49/601731049.db2.gz KZRFYVDZHLLTOR-UHFFFAOYSA-N -1 0 339.322 3.738 20 0 EHADRM O=C([O-])c1ccc(COC(=O)C/C=C/c2cccc(F)c2)cc1F ZINC000833096719 601733899 /nfs/dbraw/zinc/73/38/99/601733899.db2.gz UQFDTPHKHUSWTD-DUXPYHPUSA-N -1 0 332.302 3.810 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cc(F)cc(Cl)c1)c1ccccc1F ZINC000833351068 601743677 /nfs/dbraw/zinc/74/36/77/601743677.db2.gz IUUWIVQMMUWMFB-CYBMUJFWSA-N -1 0 326.682 3.601 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2ccccc2s1)c1ccccc1F ZINC000678985319 601743706 /nfs/dbraw/zinc/74/37/06/601743706.db2.gz CZQOEYJNXNVGIE-OAHLLOKOSA-N -1 0 329.352 3.596 20 0 EHADRM Cc1ccc(C(C)(C)C(=O)Nc2nc(CCCC(=O)[O-])cs2)cc1 ZINC000832923816 601746141 /nfs/dbraw/zinc/74/61/41/601746141.db2.gz KIAHPVKPFGZSCQ-UHFFFAOYSA-N -1 0 346.452 3.775 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)C1CCCCC1 ZINC000391243998 601754754 /nfs/dbraw/zinc/75/47/54/601754754.db2.gz KWHHTDITYNZJSW-XQQFMLRXSA-N -1 0 335.366 3.505 20 0 EHADRM CC[C@@H](NC(=O)[C@@H](Sc1ccccc1F)c1ccccc1)C(=O)[O-] ZINC000555637196 601755238 /nfs/dbraw/zinc/75/52/38/601755238.db2.gz AHPAYISXWHTVGV-ZBFHGGJFSA-N -1 0 347.411 3.639 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)Nc1ccccc1CCC(F)(F)F)C1CC1 ZINC000833198428 601759813 /nfs/dbraw/zinc/75/98/13/601759813.db2.gz IKKQMOQFUOQPBQ-CYBMUJFWSA-N -1 0 344.333 3.556 20 0 EHADRM Cc1nn(Cc2coc(-c3ccc(F)cc3)n2)c(C)c1[C@H](C)C(=O)[O-] ZINC000833021858 601780198 /nfs/dbraw/zinc/78/01/98/601780198.db2.gz YKBGJCPEIVENDX-JTQLQIEISA-N -1 0 343.358 3.530 20 0 EHADRM Cc1ccc(NC(=O)N2CC[C@](C)(c3ccccc3)C2)cc1C(=O)[O-] ZINC000832946371 601796980 /nfs/dbraw/zinc/79/69/80/601796980.db2.gz UPIFVFJVTNKSGA-FQEVSTJZSA-N -1 0 338.407 3.889 20 0 EHADRM C[C@H](C(=O)N[C@H](C(=O)[O-])c1ccccc1)c1ccc2ccccc2c1 ZINC000237444994 601802376 /nfs/dbraw/zinc/80/23/76/601802376.db2.gz YULYQGPJLFGLSW-LIRRHRJNSA-N -1 0 333.387 3.885 20 0 EHADRM O=C([O-])c1cccc(NCC(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000833110264 601803355 /nfs/dbraw/zinc/80/33/55/601803355.db2.gz FTBFUPPBUAYPJO-UHFFFAOYSA-N -1 0 339.178 3.742 20 0 EHADRM C[C@@H]1CN(C(=O)N[C@@H](CC(C)(C)C)c2ccccc2)C[C@H]1C(=O)[O-] ZINC000828347154 601803504 /nfs/dbraw/zinc/80/35/04/601803504.db2.gz CQBNOPVGICIPII-BMFZPTHFSA-N -1 0 332.444 3.526 20 0 EHADRM CCCN(CC(=O)Nc1ccccc1C)Cc1ccsc1C(=O)[O-] ZINC000829464898 601804529 /nfs/dbraw/zinc/80/45/29/601804529.db2.gz URPHNQLWZKKXLF-UHFFFAOYSA-N -1 0 346.452 3.605 20 0 EHADRM Cc1ccccc1-c1nnc(SCc2ccsc2C(=O)[O-])n1C ZINC000832975697 601807255 /nfs/dbraw/zinc/80/72/55/601807255.db2.gz XZTYFRZPWISUBK-UHFFFAOYSA-N -1 0 345.449 3.843 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cnccc2-c2cccc(F)c2)cc1 ZINC000821546034 601809677 /nfs/dbraw/zinc/80/96/77/601809677.db2.gz QZDHDBNIFAKDQY-UHFFFAOYSA-N -1 0 336.322 3.838 20 0 EHADRM C[C@@H](C(=O)N1CCC(CC(=O)[O-])CC1)c1ccc2ccccc2c1 ZINC000825982457 601811328 /nfs/dbraw/zinc/81/13/28/601811328.db2.gz GJFJEGCHEGAJSR-CQSZACIVSA-N -1 0 325.408 3.657 20 0 EHADRM CC(C)C[C@@H](CNC(=O)[C@@H](C)c1ccc2ccccc2c1)C(=O)[O-] ZINC000424234781 601812001 /nfs/dbraw/zinc/81/20/01/601812001.db2.gz BFOCABMCRAOVOA-KSSFIOAISA-N -1 0 327.424 3.806 20 0 EHADRM C/C(=C\C(=O)N1CCC(CCC(=O)[O-])CC1)c1ccccc1Cl ZINC000777373462 601814969 /nfs/dbraw/zinc/81/49/69/601814969.db2.gz XFNJJXUPQXPRMH-OUKQBFOZSA-N -1 0 335.831 3.847 20 0 EHADRM CC(C)c1cccc(O[C@H](C)C(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC000537482237 601819851 /nfs/dbraw/zinc/81/98/51/601819851.db2.gz PSEGFWSIJJCOEK-OAHLLOKOSA-N -1 0 347.455 3.681 20 0 EHADRM O=C([O-])CC1CCN(Cc2csc(CCc3ccccc3)n2)CC1 ZINC000576881399 601838306 /nfs/dbraw/zinc/83/83/06/601838306.db2.gz MVHCXQZHWTUDNQ-UHFFFAOYSA-N -1 0 344.480 3.615 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)Oc2ccc(C)cc2C(=O)[O-])c1 ZINC000832533068 601843270 /nfs/dbraw/zinc/84/32/70/601843270.db2.gz HDEDBXFPVLGMNM-ZDUSSCGKSA-N -1 0 328.364 3.801 20 0 EHADRM CC(=O)c1ccccc1OCCSCc1ccc(C(=O)[O-])s1 ZINC000825965097 601846245 /nfs/dbraw/zinc/84/62/45/601846245.db2.gz YKIGSRBCUVCTPT-UHFFFAOYSA-N -1 0 336.434 3.961 20 0 EHADRM O=C([O-])c1ccc(CSCC(=O)Nc2ccc(Cl)cc2)s1 ZINC000833115484 601847065 /nfs/dbraw/zinc/84/70/65/601847065.db2.gz CFHGTITYXCICTC-UHFFFAOYSA-N -1 0 341.841 3.972 20 0 EHADRM C[C@H]1Cc2ccccc2N1C(=O)CSCc1ccc(C(=O)[O-])s1 ZINC000828515413 601847151 /nfs/dbraw/zinc/84/71/51/601847151.db2.gz CCSDLPSVZRKHJP-NSHDSACASA-N -1 0 347.461 3.657 20 0 EHADRM O=C([O-])c1ccc(CSCC(=O)NC2CCCCCCC2)s1 ZINC000833116055 601847454 /nfs/dbraw/zinc/84/74/54/601847454.db2.gz RDFPUBHPSTUXSS-UHFFFAOYSA-N -1 0 341.498 3.909 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cncc(-c3ccccc3)c2)ccc1F ZINC000833157434 601847713 /nfs/dbraw/zinc/84/77/13/601847713.db2.gz OOLZYHDIVLKTLK-UHFFFAOYSA-N -1 0 336.322 3.838 20 0 EHADRM Cc1ccc([C@H](NC(=O)NCc2cccc(C(=O)[O-])c2)C2CC2)cc1 ZINC000666513206 601848770 /nfs/dbraw/zinc/84/87/70/601848770.db2.gz NICWYAXVSIROIJ-SFHVURJKSA-N -1 0 338.407 3.644 20 0 EHADRM C[C@H](c1ccccc1)n1ccc(N[C@H](C(=O)[O-])c2ccc(F)cc2)n1 ZINC000827951158 601854299 /nfs/dbraw/zinc/85/42/99/601854299.db2.gz VUUKNDSXDKWLMH-ACJLOTCBSA-N -1 0 339.370 3.869 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(c2nc(-c3cccs3)nc3ccccc32)C1 ZINC000263407888 601864321 /nfs/dbraw/zinc/86/43/21/601864321.db2.gz LIZKTTAAIVRXND-SFHVURJKSA-N -1 0 339.420 3.659 20 0 EHADRM CCOc1ccc(NC(=O)C2CCC(NC(=O)[O-])CC2)cc1Cl ZINC000739505078 601866255 /nfs/dbraw/zinc/86/62/55/601866255.db2.gz HFBPDOVXXYRYKL-UHFFFAOYSA-N -1 0 340.807 3.504 20 0 EHADRM CCO[C@@H](C(=O)Oc1ccc(SCC(=O)[O-])cc1)c1ccccc1 ZINC000829901790 601870653 /nfs/dbraw/zinc/87/06/53/601870653.db2.gz RRWKJPRANNXINE-QGZVFWFLSA-N -1 0 346.404 3.547 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)CCc2ccccc2F)cc1 ZINC000833264225 601877478 /nfs/dbraw/zinc/87/74/78/601877478.db2.gz IBQNXSKWCZVOOY-UHFFFAOYSA-N -1 0 334.368 3.541 20 0 EHADRM C[C@H]1CN(Cc2ccc(F)cc2C(=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000828457412 601885165 /nfs/dbraw/zinc/88/51/65/601885165.db2.gz UDZQKEYKZDKQLH-ZBEGNZNMSA-N -1 0 335.400 3.547 20 0 EHADRM O=C([O-])c1sccc1CSc1n[nH]c(Cc2cccs2)n1 ZINC000833348213 601892724 /nfs/dbraw/zinc/89/27/24/601892724.db2.gz DNDFGPCPGRPWOM-UHFFFAOYSA-N -1 0 337.451 3.509 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)CSCc2ccc(Cl)cc2)c1 ZINC000238135740 601921168 /nfs/dbraw/zinc/92/11/68/601921168.db2.gz VQOABLJMRLSGCZ-UHFFFAOYSA-N -1 0 349.839 3.588 20 0 EHADRM O=C([O-])NCCc1ccc(CNc2cccc(C(F)(F)F)n2)cc1 ZINC000740671840 601922637 /nfs/dbraw/zinc/92/26/37/601922637.db2.gz WHYBMTZDEOFQIO-UHFFFAOYSA-N -1 0 339.317 3.523 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)CCOc2ccc3ccccc3c2)c1 ZINC000833103366 601926036 /nfs/dbraw/zinc/92/60/36/601926036.db2.gz XFGLPZOMCAXPGZ-UHFFFAOYSA-N -1 0 349.386 3.623 20 0 EHADRM Cc1cc(CCCC(=O)NCc2cccc(C(=O)[O-])c2)c(C)s1 ZINC000344434233 601928368 /nfs/dbraw/zinc/92/83/68/601928368.db2.gz AUGHLZROKYEOST-UHFFFAOYSA-N -1 0 331.437 3.702 20 0 EHADRM C[C@H]1C[C@H](C)CN(C(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000828160752 601951495 /nfs/dbraw/zinc/95/14/95/601951495.db2.gz JVHSWTRFRKACDV-UWVGGRQHSA-N -1 0 344.333 3.913 20 0 EHADRM CCO[C@@H](C)c1nc(CN(C)Cc2ccc(C(=O)[O-])s2)cs1 ZINC000581195671 601959207 /nfs/dbraw/zinc/95/92/07/601959207.db2.gz GMETWUVILJGEQQ-JTQLQIEISA-N -1 0 340.470 3.632 20 0 EHADRM CC(C)[C@@H](C)N(C)C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000826681425 601962209 /nfs/dbraw/zinc/96/22/09/601962209.db2.gz PWWNDEWYMSQDJT-SECBINFHSA-N -1 0 332.322 3.912 20 0 EHADRM O=C([O-])Cc1cccc(NCc2cc(=O)oc3cc4c(cc23)CCC4)c1 ZINC000738630796 601967614 /nfs/dbraw/zinc/96/76/14/601967614.db2.gz QORMHRDFDPGYDD-UHFFFAOYSA-N -1 0 349.386 3.521 20 0 EHADRM CCS[C@H](C(=O)Nc1ccc(OC)c(NC(=O)[O-])c1)C(C)C ZINC000739519490 601978189 /nfs/dbraw/zinc/97/81/89/601978189.db2.gz MVMSHFIGYCOQKO-ZDUSSCGKSA-N -1 0 326.418 3.501 20 0 EHADRM Cc1cc(Cl)cc(C(=O)N2CCCc3c(C(=O)[O-])cccc32)c1 ZINC000321293538 601980822 /nfs/dbraw/zinc/98/08/22/601980822.db2.gz IXSZFDHVSWNKBF-UHFFFAOYSA-N -1 0 329.783 3.940 20 0 EHADRM Cc1cc(Cl)cc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000190494594 601987991 /nfs/dbraw/zinc/98/79/91/601987991.db2.gz FNXJJBRPYOJSEO-OAHLLOKOSA-N -1 0 335.762 3.733 20 0 EHADRM CC(C)Oc1ccc(F)cc1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000736494552 601988084 /nfs/dbraw/zinc/98/80/84/601988084.db2.gz MYLONSFMXNEWBW-UHFFFAOYSA-N -1 0 332.331 3.955 20 0 EHADRM COc1cccc2c1CC[C@@H]2NC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000832578567 601989398 /nfs/dbraw/zinc/98/93/98/601989398.db2.gz YODIIQGKIPABNF-HNNXBMFYSA-N -1 0 341.367 3.594 20 0 EHADRM CCOCCC1(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)CCCC1 ZINC000829994785 601995543 /nfs/dbraw/zinc/99/55/43/601995543.db2.gz SQMYOKXYHNBAIM-UHFFFAOYSA-N -1 0 338.379 3.841 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(OCC3CCCCC3)cc2)C1 ZINC000347501244 602001283 /nfs/dbraw/zinc/00/12/83/602001283.db2.gz REXCDUYXHXTQKG-FQEVSTJZSA-N -1 0 345.439 3.583 20 0 EHADRM COc1ccc([C@H](NC(=O)c2ccc(C(C)(C)C)s2)C(=O)[O-])cc1 ZINC000832245628 602001331 /nfs/dbraw/zinc/00/13/31/602001331.db2.gz NFTSIDQBOAFDDF-HNNXBMFYSA-N -1 0 347.436 3.610 20 0 EHADRM Cc1cc(C)cc(OCCC(=O)OCc2ccc(C(=O)[O-])s2)c1 ZINC000832879097 602002612 /nfs/dbraw/zinc/00/26/12/602002612.db2.gz SJYDQITUIYXOKD-UHFFFAOYSA-N -1 0 334.393 3.575 20 0 EHADRM C/C(=C\C(=O)N(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1)C(C)(C)C ZINC000825716712 602011486 /nfs/dbraw/zinc/01/14/86/602011486.db2.gz NKDXJKMOFLIWAL-PPYMECGQSA-N -1 0 343.345 3.680 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N1CCCC[C@H]1[C@@H](C)NC(=O)[O-] ZINC000740035462 602017927 /nfs/dbraw/zinc/01/79/27/602017927.db2.gz HZSKGCLPPWHSTA-RISCZKNCSA-N -1 0 348.374 3.531 20 0 EHADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCCN1C(=O)c1cccc(Cl)c1Cl ZINC000739011970 602021257 /nfs/dbraw/zinc/02/12/57/602021257.db2.gz QZUHRGXPYNQILF-SKDRFNHKSA-N -1 0 345.226 3.644 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)Nc1ccc(F)c(F)c1F ZINC000833158229 602025833 /nfs/dbraw/zinc/02/58/33/602025833.db2.gz WBOZRQMTFXBDSQ-ONGXEEELSA-N -1 0 344.333 3.649 20 0 EHADRM COc1cc(Cl)c(C)cc1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000325136791 602026738 /nfs/dbraw/zinc/02/67/38/602026738.db2.gz TXXDLVQTLKZYPT-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)CCn2ccc3ccccc32)c1 ZINC000740708069 602027465 /nfs/dbraw/zinc/02/74/65/602027465.db2.gz XOLVFOUPXPNLQK-UHFFFAOYSA-N -1 0 341.342 3.899 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)c2cc3c(cccc3F)[nH]2)c1 ZINC000740706099 602027672 /nfs/dbraw/zinc/02/76/72/602027672.db2.gz YKXOWCGDEMOKMG-UHFFFAOYSA-N -1 0 331.278 3.788 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000191043662 602029570 /nfs/dbraw/zinc/02/95/70/602029570.db2.gz XFMCVCCBNZZDKN-FQEVSTJZSA-N -1 0 337.375 3.831 20 0 EHADRM CC1(CNC(=O)Nc2ccc(OCCC(=O)[O-])cc2)CCCCC1 ZINC000828101977 602035841 /nfs/dbraw/zinc/03/58/41/602035841.db2.gz CAYWGXSILRKWEB-UHFFFAOYSA-N -1 0 334.416 3.632 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)Nc1cccc(F)c1F ZINC000833158958 602036148 /nfs/dbraw/zinc/03/61/48/602036148.db2.gz RLUZMMVZPQDDIE-PWSUYJOCSA-N -1 0 326.343 3.510 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])c1 ZINC000831494376 602037491 /nfs/dbraw/zinc/03/74/91/602037491.db2.gz ZSAZGMPQYYVNCH-COXVUDFISA-N -1 0 348.443 3.939 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccn(C2CCCC2)n1)c1cccc(Cl)c1 ZINC000833351817 602037487 /nfs/dbraw/zinc/03/74/87/602037487.db2.gz UZFYLTNBPZKFPL-OAHLLOKOSA-N -1 0 348.786 3.634 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)c1cccc(Cl)c1F ZINC000833132175 602042855 /nfs/dbraw/zinc/04/28/55/602042855.db2.gz WKWRHLPQSDXMSA-GXFFZTMASA-N -1 0 327.783 3.633 20 0 EHADRM CN(Cc1nccs1)[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000830879410 602047462 /nfs/dbraw/zinc/04/74/62/602047462.db2.gz LGMXKQZTRXDBKS-LBPRGKRZSA-N -1 0 331.224 3.708 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)/C=C/SCc1ccco1)c1ccccc1 ZINC000828595344 602054797 /nfs/dbraw/zinc/05/47/97/602054797.db2.gz WTTVZXGEQNHMAS-TYZQSYOASA-N -1 0 345.420 3.923 20 0 EHADRM CS/C=C/C(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC000832747795 602064166 /nfs/dbraw/zinc/06/41/66/602064166.db2.gz NLRYFYLZOYRULE-MDZDMXLPSA-N -1 0 343.404 3.779 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000263186053 602068833 /nfs/dbraw/zinc/06/88/33/602068833.db2.gz WTXPTVISISZKJP-COXVUDFISA-N -1 0 333.428 3.626 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000237353790 602069949 /nfs/dbraw/zinc/06/99/49/602069949.db2.gz GFZINJFGSGKKSH-ZDUSSCGKSA-N -1 0 329.371 3.660 20 0 EHADRM Cc1[nH]ccc1C(=O)O[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000832847788 602088779 /nfs/dbraw/zinc/08/87/79/602088779.db2.gz VPODLISOFKCBIF-LBPRGKRZSA-N -1 0 328.151 3.613 20 0 EHADRM C[C@H](Oc1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)cc1)C(=O)[O-] ZINC000794686490 602094214 /nfs/dbraw/zinc/09/42/14/602094214.db2.gz BXQKFHZJZYMNDF-CYANDVJASA-N -1 0 343.766 3.685 20 0 EHADRM C[C@H]1CN(C(=O)NCCCCCCCC(=O)[O-])[C@H]1c1ccccc1 ZINC000828354858 602094715 /nfs/dbraw/zinc/09/47/15/602094715.db2.gz QYYJMYLTECTFEG-MAUKXSAKSA-N -1 0 332.444 3.814 20 0 EHADRM C[C@@H]1Cc2ccccc2CN1C(=O)NCCCCCCCC(=O)[O-] ZINC000828515666 602096426 /nfs/dbraw/zinc/09/64/26/602096426.db2.gz DMFGDAACLPNPSL-OAHLLOKOSA-N -1 0 332.444 3.568 20 0 EHADRM COc1ccc(NC(=O)Cc2cccc(Cl)c2)cc1NC(=O)[O-] ZINC000739922024 602098522 /nfs/dbraw/zinc/09/85/22/602098522.db2.gz JLMMEYIKRRXZQV-UHFFFAOYSA-N -1 0 334.759 3.620 20 0 EHADRM Cc1cc(C=Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cnc1Cl ZINC000832880592 602099320 /nfs/dbraw/zinc/09/93/20/602099320.db2.gz DXONTEODULLZBC-DJWKRKHSSA-N -1 0 341.754 3.561 20 0 EHADRM CN(Cc1cccc(NC(=O)Cc2cccc(Cl)c2)c1)C(=O)[O-] ZINC000739707205 602099448 /nfs/dbraw/zinc/09/94/48/602099448.db2.gz JKQHVSLFHIKPSK-UHFFFAOYSA-N -1 0 332.787 3.631 20 0 EHADRM CCC[C@](C)(NC(=O)[O-])C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000739289307 602107372 /nfs/dbraw/zinc/10/73/72/602107372.db2.gz LHRWXQHSXDSGMX-BONVTDFDSA-N -1 0 346.349 3.709 20 0 EHADRM CCO[C@H](CC(=O)Oc1c(C(=O)[O-])ccc2ccccc21)C(C)C ZINC000829912615 602109252 /nfs/dbraw/zinc/10/92/52/602109252.db2.gz LUESSSPULHOKFF-MRXNPFEDSA-N -1 0 330.380 3.895 20 0 EHADRM Cc1sc(NC(=O)c2ccn(C3CCCC3)n2)c(C(=O)[O-])c1C ZINC000833035783 602110001 /nfs/dbraw/zinc/11/00/01/602110001.db2.gz BWCIXGPHCQOSGP-UHFFFAOYSA-N -1 0 333.413 3.627 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000827874345 602122985 /nfs/dbraw/zinc/12/29/85/602122985.db2.gz YRBBGFDZVOQNFX-CYBMUJFWSA-N -1 0 334.416 3.867 20 0 EHADRM O=C([O-])c1c(F)cccc1NCc1nnc(-c2ccccc2Cl)o1 ZINC000833293979 602129344 /nfs/dbraw/zinc/12/93/44/602129344.db2.gz KDCROUSAWUWBNE-UHFFFAOYSA-N -1 0 347.733 3.839 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000829009810 602132499 /nfs/dbraw/zinc/13/24/99/602132499.db2.gz RECIRBSTNCIAJV-QGZVFWFLSA-N -1 0 349.427 3.607 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000237396317 602139895 /nfs/dbraw/zinc/13/98/95/602139895.db2.gz JSYXICZPWCZHIT-CQSZACIVSA-N -1 0 333.428 3.770 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)N(CC)c1ccccc1C(=O)[O-] ZINC000829009808 602148575 /nfs/dbraw/zinc/14/85/75/602148575.db2.gz RBFRUOJAQDXTMN-QGZVFWFLSA-N -1 0 333.428 3.866 20 0 EHADRM Cc1cccc(COc2cccc(NC(=O)[C@H](C)CC(=O)[O-])c2)c1 ZINC000832967021 602158923 /nfs/dbraw/zinc/15/89/23/602158923.db2.gz MTUVBBPYMBDKIF-CQSZACIVSA-N -1 0 327.380 3.623 20 0 EHADRM CCc1oc(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)cc1C ZINC000830355701 602159598 /nfs/dbraw/zinc/15/95/98/602159598.db2.gz VEALJKJLQNLKPE-UHFFFAOYSA-N -1 0 336.413 3.855 20 0 EHADRM CCCCC[C@H](NC(=O)c1cc(C(F)(F)F)ccc1F)C(=O)[O-] ZINC000829327156 602165135 /nfs/dbraw/zinc/16/51/35/602165135.db2.gz WCFREWVZFVJUJZ-LBPRGKRZSA-N -1 0 335.297 3.608 20 0 EHADRM CCSc1ccc(C(=O)Nc2cc(OC)ccc2NC(=O)[O-])cn1 ZINC000739519378 602168778 /nfs/dbraw/zinc/16/87/78/602168778.db2.gz UYRYXMDJWVWIHJ-UHFFFAOYSA-N -1 0 347.396 3.544 20 0 EHADRM COc1cc(OC)cc([C@H](Nc2ccc(CSC)cc2)C(=O)[O-])c1 ZINC000832065046 602170764 /nfs/dbraw/zinc/17/07/64/602170764.db2.gz GQAFQVCSODXOST-KRWDZBQOSA-N -1 0 347.436 3.805 20 0 EHADRM COc1cccc([C@@H](C)C(=O)Nc2cc(OC)ccc2NC(=O)[O-])c1 ZINC000739945277 602172413 /nfs/dbraw/zinc/17/24/13/602172413.db2.gz JMRLVGDHIJRGEQ-LLVKDONJSA-N -1 0 344.367 3.536 20 0 EHADRM CCn1cc(CC(=O)Nc2ccccc2NC(=O)[O-])c2ccccc21 ZINC000739562930 602173840 /nfs/dbraw/zinc/17/38/40/602173840.db2.gz IGHNGHQAEOYQNY-UHFFFAOYSA-N -1 0 337.379 3.932 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2ccnc(Oc3ccccc3)c2)c1 ZINC000581763331 602178669 /nfs/dbraw/zinc/17/86/69/602178669.db2.gz PEJZZJZNLHZCLK-UHFFFAOYSA-N -1 0 340.360 3.886 20 0 EHADRM Cc1cc(Cl)ccc1-c1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC000832886082 602183472 /nfs/dbraw/zinc/18/34/72/602183472.db2.gz GRXLCMUKVDAVKO-UHFFFAOYSA-N -1 0 344.754 3.976 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)c1 ZINC000740674239 602199488 /nfs/dbraw/zinc/19/94/88/602199488.db2.gz OHCOEWJOOGAGNH-JKSUJKDBSA-N -1 0 344.798 3.850 20 0 EHADRM Cc1cc(C)cc(NC(=O)c2cccn2C2CCN(C(=O)[O-])CC2)c1 ZINC000740066562 602229842 /nfs/dbraw/zinc/22/98/42/602229842.db2.gz MJXGQLSTSLGWME-UHFFFAOYSA-N -1 0 341.411 3.672 20 0 EHADRM COc1cccc(C=C2CCN(Cc3ccc(C(=O)[O-])o3)CC2)c1 ZINC000832545581 602230760 /nfs/dbraw/zinc/23/07/60/602230760.db2.gz JVFOKKVZCUFCRX-UHFFFAOYSA-N -1 0 327.380 3.666 20 0 EHADRM Cc1ccc(CNC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1 ZINC000832931824 602234881 /nfs/dbraw/zinc/23/48/81/602234881.db2.gz RIRNMGKGPJOVLR-KRWDZBQOSA-N -1 0 340.423 3.646 20 0 EHADRM CC(C)Cc1nc(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])cs1 ZINC000738835201 602237125 /nfs/dbraw/zinc/23/71/25/602237125.db2.gz KALWDUXYMJSMEG-UHFFFAOYSA-N -1 0 345.424 3.634 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)CCc3cc(F)ccc3F)ccc21 ZINC000740361858 602237891 /nfs/dbraw/zinc/23/78/91/602237891.db2.gz YDZXVRJKHWHZRE-UHFFFAOYSA-N -1 0 346.333 3.577 20 0 EHADRM Cn1c(SCc2ccoc2C(=O)[O-])nnc1-c1cccc(Cl)c1 ZINC000833039384 602243894 /nfs/dbraw/zinc/24/38/94/602243894.db2.gz IVAMQXBFMFBCCC-UHFFFAOYSA-N -1 0 349.799 3.719 20 0 EHADRM C[C@@H](NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1)C(=O)[O-] ZINC000237343615 602248813 /nfs/dbraw/zinc/24/88/13/602248813.db2.gz SKSLXTDPAGIBAQ-SSDOTTSWSA-N -1 0 344.219 3.925 20 0 EHADRM Cc1ccc2[nH]c(C(=O)Nc3ccc4c(c3)CCN4C(=O)[O-])cc2c1 ZINC000740158908 602252272 /nfs/dbraw/zinc/25/22/72/602252272.db2.gz KVTCWOBBTDRDMH-UHFFFAOYSA-N -1 0 335.363 3.769 20 0 EHADRM Cc1ccsc1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000237769057 602261876 /nfs/dbraw/zinc/26/18/76/602261876.db2.gz ORGWQFLMMSKQCM-UHFFFAOYSA-N -1 0 341.388 3.925 20 0 EHADRM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000832891527 602263944 /nfs/dbraw/zinc/26/39/44/602263944.db2.gz XFFYTGIPLOYQFT-PBHICJAKSA-N -1 0 347.459 3.605 20 0 EHADRM C[C@@H](COc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000827524672 602270656 /nfs/dbraw/zinc/27/06/56/602270656.db2.gz KDJZDPMGMNVEQH-LRDDRELGSA-N -1 0 348.782 3.724 20 0 EHADRM CCOc1ccc2cc(C(=O)Nc3cc(C(=O)[O-])cs3)[nH]c2c1 ZINC000191381846 602283898 /nfs/dbraw/zinc/28/38/98/602283898.db2.gz YGTAPSUOCDRLQM-UHFFFAOYSA-N -1 0 330.365 3.579 20 0 EHADRM Cc1ccc(F)cc1NC(=O)c1cccn1C1CCN(C(=O)[O-])CC1 ZINC000740129600 602306089 /nfs/dbraw/zinc/30/60/89/602306089.db2.gz KPFBXCWXNNPIEH-UHFFFAOYSA-N -1 0 345.374 3.503 20 0 EHADRM C[C@H](Sc1ccccn1)c1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000827922588 602309358 /nfs/dbraw/zinc/30/93/58/602309358.db2.gz SSMSFLNGJAGPSY-JTQLQIEISA-N -1 0 327.365 3.683 20 0 EHADRM Cc1cc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)ccc1Cl ZINC000322483449 602312838 /nfs/dbraw/zinc/31/28/38/602312838.db2.gz UXAQEBFRTLYYKH-CYBMUJFWSA-N -1 0 329.783 3.867 20 0 EHADRM Cc1cc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)ccc1Cl ZINC000322483450 602312869 /nfs/dbraw/zinc/31/28/69/602312869.db2.gz UXAQEBFRTLYYKH-ZDUSSCGKSA-N -1 0 329.783 3.867 20 0 EHADRM Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)CCC(=O)[O-] ZINC000574705725 602322971 /nfs/dbraw/zinc/32/29/71/602322971.db2.gz KXYMCOKFSNVJIM-GFCCVEGCSA-N -1 0 332.425 3.503 20 0 EHADRM CC[C@H](CC(=O)N(C1CC1)C1CCN(C(=O)[O-])CC1)c1ccccc1 ZINC000739248461 602336606 /nfs/dbraw/zinc/33/66/06/602336606.db2.gz HBLMIUCGUCBCQO-OAHLLOKOSA-N -1 0 344.455 3.704 20 0 EHADRM O=C([O-])CN(Cc1csc(CCc2ccccc2)n1)C1CCCC1 ZINC000576768879 602338774 /nfs/dbraw/zinc/33/87/74/602338774.db2.gz BCDHQNLUHWGTRP-UHFFFAOYSA-N -1 0 344.480 3.758 20 0 EHADRM Cc1ccc(CC(=O)N(CCC(=O)[O-])Cc2ccccc2)c(Cl)c1 ZINC000832929879 602346904 /nfs/dbraw/zinc/34/69/04/602346904.db2.gz SPTNVXDVTRDABS-UHFFFAOYSA-N -1 0 345.826 3.694 20 0 EHADRM CC(C)N(CCC(=O)N(C)[C@H](C)c1nc2ccccc2s1)C(=O)[O-] ZINC000739066002 602347175 /nfs/dbraw/zinc/34/71/75/602347175.db2.gz VUGLKFDHLBVFCP-GFCCVEGCSA-N -1 0 349.456 3.594 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)C3(NC(=O)[O-])CCCC3)cc2)cs1 ZINC000740206943 602350406 /nfs/dbraw/zinc/35/04/06/602350406.db2.gz HSSIJXHUFLTVIY-UHFFFAOYSA-N -1 0 345.424 3.637 20 0 EHADRM O=C([O-])c1ccc(NC(=O)/C=C\c2ccnc3ccccc23)cc1F ZINC000761746926 602353383 /nfs/dbraw/zinc/35/33/83/602353383.db2.gz ZPNRZUBRCRNJLN-YVMONPNESA-N -1 0 336.322 3.724 20 0 EHADRM O=C([O-])c1ccc(NC(=O)/C=C/c2ccc3ccccc3n2)cc1F ZINC000833095055 602354478 /nfs/dbraw/zinc/35/44/78/602354478.db2.gz OWQPXJZBUPITNT-CSKARUKUSA-N -1 0 336.322 3.724 20 0 EHADRM Cc1ccc(C)c(SCC(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000322839350 602355737 /nfs/dbraw/zinc/35/57/37/602355737.db2.gz LYTCTIFETBBCKL-UHFFFAOYSA-N -1 0 333.384 3.872 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000326146824 602356111 /nfs/dbraw/zinc/35/61/11/602356111.db2.gz VNEGGWFZTPAJSB-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CSc2ccccc2Cl)cc1F ZINC000318221828 602358208 /nfs/dbraw/zinc/35/82/08/602358208.db2.gz VOBKUNORMKVIQU-UHFFFAOYSA-N -1 0 339.775 3.908 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)cc1F ZINC000767200141 602358555 /nfs/dbraw/zinc/35/85/55/602358555.db2.gz NVTBLNNHWRWIBD-QWRGUYRKSA-N -1 0 335.281 3.544 20 0 EHADRM CC(C)[C@H](c1ccccc1)N(C)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000826721887 602359153 /nfs/dbraw/zinc/35/91/53/602359153.db2.gz CLSHAHXYQHFYOI-MRXNPFEDSA-N -1 0 329.400 3.584 20 0 EHADRM CC(C)c1ccc(CN(C)C(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1 ZINC000827118589 602361296 /nfs/dbraw/zinc/36/12/96/602361296.db2.gz WZPRARUZYQBXKS-UHFFFAOYSA-N -1 0 329.400 3.511 20 0 EHADRM C[C@H](NC(=O)Nc1cc(C(=O)[O-])n(C)c1)c1csc2ccccc21 ZINC000827671752 602362601 /nfs/dbraw/zinc/36/26/01/602362601.db2.gz JVARHEFVVMNOFY-JTQLQIEISA-N -1 0 343.408 3.821 20 0 EHADRM C[C@@H](NC(=O)Nc1cc(C(=O)[O-])n(C)c1)c1cccc2ccccc21 ZINC000827671430 602365017 /nfs/dbraw/zinc/36/50/17/602365017.db2.gz HOJYUDZITFCGSW-GFCCVEGCSA-N -1 0 337.379 3.759 20 0 EHADRM CC[C@@H](NC(=O)Nc1cc(C(=O)[O-])n(C)c1)c1ccc(Cl)cc1 ZINC000828951380 602365227 /nfs/dbraw/zinc/36/52/27/602365227.db2.gz MFGMONXVFGYDEQ-CYBMUJFWSA-N -1 0 335.791 3.650 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N(Cc2ccccc2F)C2CC2)cc1F ZINC000833320442 602369528 /nfs/dbraw/zinc/36/95/28/602369528.db2.gz WYPGOCOJSGFPIS-UHFFFAOYSA-N -1 0 346.333 3.860 20 0 EHADRM Cn1cc(NC(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)cc1C(=O)[O-] ZINC000833049563 602375241 /nfs/dbraw/zinc/37/52/41/602375241.db2.gz VYLFUSYHCSTDSR-MRXNPFEDSA-N -1 0 345.374 3.525 20 0 EHADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000827942479 602377011 /nfs/dbraw/zinc/37/70/11/602377011.db2.gz UAHCMXUZZRHXLF-SNVBAGLBSA-N -1 0 335.791 3.602 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCCc3sccc3C2)cc1F ZINC000833320398 602377601 /nfs/dbraw/zinc/37/76/01/602377601.db2.gz UXGHODIHCMSPMU-UHFFFAOYSA-N -1 0 334.372 3.566 20 0 EHADRM CC(C)Oc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000827054417 602381479 /nfs/dbraw/zinc/38/14/79/602381479.db2.gz JMUKIWHFEAYDOT-UHFFFAOYSA-N -1 0 346.358 3.633 20 0 EHADRM CCN(Cc1cccc(Cl)c1)C(=O)C1CCC(NC(=O)[O-])CC1 ZINC000739440501 602382273 /nfs/dbraw/zinc/38/22/73/602382273.db2.gz BCVMKCQYRLHTJB-UHFFFAOYSA-N -1 0 338.835 3.515 20 0 EHADRM CN(c1nc(COc2ccc(C(=O)[O-])cc2Cl)cs1)C1CC1 ZINC000830893722 602386285 /nfs/dbraw/zinc/38/62/85/602386285.db2.gz BTTOFIURBGLCJH-UHFFFAOYSA-N -1 0 338.816 3.672 20 0 EHADRM C[C@@H](CCNC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000325708602 602386755 /nfs/dbraw/zinc/38/67/55/602386755.db2.gz KZSCINBRQDRTLB-LBPRGKRZSA-N -1 0 330.359 3.839 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccc(C(=O)[O-])c(F)c2)o1 ZINC000326064651 602393801 /nfs/dbraw/zinc/39/38/01/602393801.db2.gz FTNUQUNCLAWIDI-YGRLFVJLSA-N -1 0 331.343 3.812 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000776647026 602393978 /nfs/dbraw/zinc/39/39/78/602393978.db2.gz XTJCISJMBATTAG-MRXNPFEDSA-N -1 0 331.343 3.628 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)N(CC(=O)[O-])C2CCCC2)c1 ZINC000826647983 602399848 /nfs/dbraw/zinc/39/98/48/602399848.db2.gz NZAAKHLUTGUDBU-UHFFFAOYSA-N -1 0 331.412 3.501 20 0 EHADRM Cc1ccc(CCCCC(=O)N2CCC([C@H](C)NC(=O)[O-])CC2)cc1 ZINC000740124100 602403504 /nfs/dbraw/zinc/40/35/04/602403504.db2.gz GCVQYWWEBDOHMA-INIZCTEOSA-N -1 0 346.471 3.603 20 0 EHADRM Cc1ccc(-c2noc(Cc3ccc(NC(=O)[O-])cc3)n2)cc1F ZINC000740103767 602405856 /nfs/dbraw/zinc/40/58/56/602405856.db2.gz VTOIONITMUQDFS-UHFFFAOYSA-N -1 0 327.315 3.865 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(Cc2ccc3c(c2)CCC3)n1 ZINC000738819052 602410899 /nfs/dbraw/zinc/41/08/99/602410899.db2.gz FZRJXQDYRXFNJC-HNNXBMFYSA-N -1 0 329.400 3.504 20 0 EHADRM COc1ccc2cc(-c3nc([C@H](CC(C)C)NC(=O)[O-])no3)[nH]c2c1 ZINC000739936677 602411318 /nfs/dbraw/zinc/41/13/18/602411318.db2.gz JRKAQJAGQLVZSP-ZDUSSCGKSA-N -1 0 344.371 3.581 20 0 EHADRM COc1ccccc1/C(C)=C\c1nc(C2(NC(=O)[O-])CCCC2)no1 ZINC000739953659 602412166 /nfs/dbraw/zinc/41/21/66/602412166.db2.gz CDBILORDVFTZMZ-QXMHVHEDSA-N -1 0 343.383 3.676 20 0 EHADRM O=C([O-])NC1(c2noc([C@@H]3CCC[C@@H](C(F)(F)F)C3)n2)CCC1 ZINC000740550511 602418879 /nfs/dbraw/zinc/41/88/79/602418879.db2.gz XUXRNSXTDKCSJF-RKDXNWHRSA-N -1 0 333.310 3.553 20 0 EHADRM CC[C@H](C)[C@H](C(=O)N1CCC[C@H](CN(C)C(=O)[O-])C1)c1ccccc1 ZINC000739227217 602450513 /nfs/dbraw/zinc/45/05/13/602450513.db2.gz RRWFNSATOADTCA-JZXOWHBKSA-N -1 0 346.471 3.665 20 0 EHADRM CN(Cc1ccc(Cl)cc1)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739704348 602451470 /nfs/dbraw/zinc/45/14/70/602451470.db2.gz HLAFRMPCLZUVDT-UHFFFAOYSA-N -1 0 347.802 3.772 20 0 EHADRM Cc1ccccc1NC(=S)Nc1ccc2c(c1)CN(C(=O)[O-])CC2 ZINC000740185876 602459630 /nfs/dbraw/zinc/45/96/30/602459630.db2.gz LIPIZLGBZOMYMY-UHFFFAOYSA-N -1 0 341.436 3.840 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)N1CC[C@@H]1c1ccccc1)c1ccccc1 ZINC000740541555 602460208 /nfs/dbraw/zinc/46/02/08/602460208.db2.gz ZTPLUBONFBNZRR-QZTJIDSGSA-N -1 0 338.407 3.749 20 0 EHADRM CCN(C(=O)c1ccc(F)c(NC(=O)[O-])c1)c1cccc(OC)c1 ZINC000739380585 602483925 /nfs/dbraw/zinc/48/39/25/602483925.db2.gz MUCWTKXQLGFPNZ-UHFFFAOYSA-N -1 0 332.331 3.591 20 0 EHADRM CCN(CCc1ccccc1)C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739438347 602483964 /nfs/dbraw/zinc/48/39/64/602483964.db2.gz FBVZFHHZLRCOMW-UHFFFAOYSA-N -1 0 330.359 3.620 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N(Cc2cccs2)C2CC2)ccc1F ZINC000740693367 602484252 /nfs/dbraw/zinc/48/42/52/602484252.db2.gz WNRAELRKRWBGNI-UHFFFAOYSA-N -1 0 334.372 3.782 20 0 EHADRM O=C([O-])Nc1cc(C(=O)NC2(c3ccc(F)cc3)CCC2)ccc1F ZINC000740697647 602486777 /nfs/dbraw/zinc/48/67/77/602486777.db2.gz YCCBTKQWNJTEGH-UHFFFAOYSA-N -1 0 346.333 3.864 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2sccc2OC(F)F)cc1 ZINC000738666899 602504937 /nfs/dbraw/zinc/50/49/37/602504937.db2.gz IGPRJCBADYKJLT-UHFFFAOYSA-N -1 0 328.296 3.692 20 0 EHADRM CCn1c(C)cc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])c1C ZINC000739560756 602507308 /nfs/dbraw/zinc/50/73/08/602507308.db2.gz GFZLZTHPNMYUBZ-UHFFFAOYSA-N -1 0 341.411 3.808 20 0 EHADRM C[C@]1(C(=O)Nc2cccc(CNC(=O)[O-])c2)CCCc2ccccc21 ZINC000739071315 602515365 /nfs/dbraw/zinc/51/53/65/602515365.db2.gz ZXCFVCPOQLFRNB-FQEVSTJZSA-N -1 0 338.407 3.687 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2cccc(CNC(=O)[O-])c2)o1 ZINC000739078992 602516917 /nfs/dbraw/zinc/51/69/17/602516917.db2.gz BQSHRTZMSOAUFD-MLGOLLRUSA-N -1 0 342.395 3.742 20 0 EHADRM O=C([O-])N[C@@H](C(=O)Nc1ccnc(-c2ccccc2)c1)c1ccccc1 ZINC000740687839 602543048 /nfs/dbraw/zinc/54/30/48/602543048.db2.gz VQQSGDLABHKXEF-GOSISDBHSA-N -1 0 347.374 3.696 20 0 EHADRM CCN(Cc1ccccc1NC(=O)c1ccc2[nH]ccc2c1)C(=O)[O-] ZINC000739444349 602569564 /nfs/dbraw/zinc/56/95/64/602569564.db2.gz XFONDPACQFVXSS-UHFFFAOYSA-N -1 0 337.379 3.920 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)N(C)[C@@H](C)CNC(=O)[O-] ZINC000739518054 602606185 /nfs/dbraw/zinc/60/61/85/602606185.db2.gz ONPIKBGAESXJSJ-VIFPVBQESA-N -1 0 345.852 3.572 20 0 EHADRM C[C@H](C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])c1ccccc1F ZINC000738633224 602685032 /nfs/dbraw/zinc/68/50/32/602685032.db2.gz XGPRFRRBIVQWCK-NSHDSACASA-N -1 0 328.343 3.608 20 0 EHADRM COc1cc(NC(=O)[C@@H](C)c2ccccc2F)ccc1NC(=O)[O-] ZINC000739869294 602685375 /nfs/dbraw/zinc/68/53/75/602685375.db2.gz WOBPSZLKCJNCGK-JTQLQIEISA-N -1 0 332.331 3.666 20 0 EHADRM Cc1ccccc1COc1cccc(NC(=O)C(C)(C)NC(=O)[O-])c1 ZINC000738773293 602689203 /nfs/dbraw/zinc/68/92/03/602689203.db2.gz SIGWCOBCRXTBOJ-UHFFFAOYSA-N -1 0 342.395 3.559 20 0 EHADRM Cc1ccc2nc(NC(=O)[C@@H](NC(=O)[O-])c3ccccc3)sc2c1 ZINC000740157018 602692766 /nfs/dbraw/zinc/69/27/66/602692766.db2.gz LIBXMOFIUAYRDN-AWEZNQCLSA-N -1 0 341.392 3.552 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000738663506 602695932 /nfs/dbraw/zinc/69/59/32/602695932.db2.gz INZBGQKLGIGBOS-OLZOCXBDSA-N -1 0 332.306 3.797 20 0 EHADRM C[C@@H](c1ccc(Br)cc1)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737721934 602718318 /nfs/dbraw/zinc/71/83/18/602718318.db2.gz SVXYWJUGAPMERL-NSHDSACASA-N -1 0 341.249 3.584 20 0 EHADRM CC(C)C[C@@H]1CCCN1C(=O)[C@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000824225137 602780929 /nfs/dbraw/zinc/78/09/29/602780929.db2.gz PXRNSQHHMQNRLQ-PVAVHDDUSA-N -1 0 332.444 3.669 20 0 EHADRM CC(C)C[C@@H]1CCCN1C(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000824225134 602781260 /nfs/dbraw/zinc/78/12/60/602781260.db2.gz PXRNSQHHMQNRLQ-BHYGNILZSA-N -1 0 332.444 3.669 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)cc1NC(=O)[O-] ZINC000830230826 602782001 /nfs/dbraw/zinc/78/20/01/602782001.db2.gz SLSSVFAJFQWRGV-UHFFFAOYSA-N -1 0 336.351 3.727 20 0 EHADRM CCO[C@H](C(=O)Nc1cc(NC(=O)[O-])ccc1F)c1ccccc1 ZINC000739482957 602783724 /nfs/dbraw/zinc/78/37/24/602783724.db2.gz DHODJEYHVKNBDI-HNNXBMFYSA-N -1 0 332.331 3.632 20 0 EHADRM C[C@H]1CCc2ccccc2N1C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739115964 602785349 /nfs/dbraw/zinc/78/53/49/602785349.db2.gz VQHOCGXCSJYOMI-NSHDSACASA-N -1 0 328.343 3.897 20 0 EHADRM C[C@H](c1nc2ccccc2s1)N(C)C(=O)CCC(C)(C)NC(=O)[O-] ZINC000739062142 602786216 /nfs/dbraw/zinc/78/62/16/602786216.db2.gz DBTKSAPRJUASQM-LLVKDONJSA-N -1 0 349.456 3.642 20 0 EHADRM COc1ccc(NC(=O)[C@@H](C)Cc2ccccc2F)cc1NC(=O)[O-] ZINC000739917885 602791569 /nfs/dbraw/zinc/79/15/69/602791569.db2.gz YLJGIVNMCZFUDI-NSHDSACASA-N -1 0 346.358 3.742 20 0 EHADRM CC(C)(CCC(=O)Nc1cccc(-c2nccs2)c1)NC(=O)[O-] ZINC000738744717 602793872 /nfs/dbraw/zinc/79/38/72/602793872.db2.gz PNBFJOWKEFULGC-UHFFFAOYSA-N -1 0 333.413 3.575 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)Cc2csc(-c3ccoc3)n2)cc1 ZINC000738663788 602802525 /nfs/dbraw/zinc/80/25/25/602802525.db2.gz BTUQLZSBXAAHAH-UHFFFAOYSA-N -1 0 343.364 3.674 20 0 EHADRM CN(Cc1nc(-c2ccc(NC(=O)C(C)(C)C)cc2)cs1)C(=O)[O-] ZINC000739717635 602810292 /nfs/dbraw/zinc/81/02/92/602810292.db2.gz QOULFEBGCMOWHA-UHFFFAOYSA-N -1 0 347.440 3.905 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N1CCC(C)(C)CC1 ZINC000829172836 602821595 /nfs/dbraw/zinc/82/15/95/602821595.db2.gz BZWPHHXNVWMRBP-UHFFFAOYSA-N -1 0 340.807 3.701 20 0 EHADRM CSCc1ccc(NC(=O)[C@H](CNC(=O)[O-])c2ccccc2)cc1 ZINC000829753690 602832131 /nfs/dbraw/zinc/83/21/31/602832131.db2.gz ICPHBUWIVSPLQX-MRXNPFEDSA-N -1 0 344.436 3.540 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCC3(CCCCC3)CC2)c(O)c1 ZINC000740700482 602859617 /nfs/dbraw/zinc/85/96/17/602859617.db2.gz XZGBGJRPSMSGRZ-UHFFFAOYSA-N -1 0 332.400 3.669 20 0 EHADRM CCCCCC[C@H](C)C(=O)N1CCC[C@@H]([C@H]2CCCN2C(=O)[O-])C1 ZINC000739333530 602875248 /nfs/dbraw/zinc/87/52/48/602875248.db2.gz YABFAVYLXYIAEX-GVDBMIGSSA-N -1 0 338.492 3.974 20 0 EHADRM Cc1ccc(C(=O)N2CCCc3sccc3C2)cc1NC(=O)[O-] ZINC000830193682 602882517 /nfs/dbraw/zinc/88/25/17/602882517.db2.gz YNGXAOOJUMLJKH-UHFFFAOYSA-N -1 0 330.409 3.735 20 0 EHADRM Cc1cc(C)c(-c2csc(NC(=O)C[C@H](C)NC(=O)[O-])n2)c(C)c1 ZINC000829987328 602893722 /nfs/dbraw/zinc/89/37/22/602893722.db2.gz XOOGTFAOSJHAFA-LBPRGKRZSA-N -1 0 347.440 3.720 20 0 EHADRM C[C@@H](CC(=O)Nc1cccc(CNC(=O)[O-])c1)c1cccc(F)c1 ZINC000738892951 602906795 /nfs/dbraw/zinc/90/67/95/602906795.db2.gz XPXLYZYZHUQHBS-LBPRGKRZSA-N -1 0 330.359 3.726 20 0 EHADRM CCCCc1ccc(NC(=O)N2CC[C@H](NC(=O)[O-])[C@@H](C)C2)cc1 ZINC000739340225 602909052 /nfs/dbraw/zinc/90/90/52/602909052.db2.gz BKOSUNJFFRPLGG-BBRMVZONSA-N -1 0 333.432 3.539 20 0 EHADRM CCc1ccc(NC(=O)Nc2ccc(NC(=O)[O-])c(OC)c2)cc1 ZINC000739542087 602946276 /nfs/dbraw/zinc/94/62/76/602946276.db2.gz LRYSZRXXMLGTPH-UHFFFAOYSA-N -1 0 329.356 3.992 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(C[C@@H](C)c2cccc(F)c2)n1 ZINC000738817379 602949570 /nfs/dbraw/zinc/94/95/70/602949570.db2.gz QPKKYUJEDUJESA-BXUZGUMPSA-N -1 0 335.379 3.910 20 0 EHADRM Cc1cccc(NC(=O)Nc2cccc(OCCNC(=O)[O-])c2)c1C ZINC000740169691 602951364 /nfs/dbraw/zinc/95/13/64/602951364.db2.gz FQJCTIOCIQSRPD-UHFFFAOYSA-N -1 0 343.383 3.594 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)cc1 ZINC000738667701 602964032 /nfs/dbraw/zinc/96/40/32/602964032.db2.gz SCLKKCROWQPMNB-NEPJUHHUSA-N -1 0 333.290 3.764 20 0 EHADRM C[C@@H](Oc1ccccc1Cl)C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000737725706 602969300 /nfs/dbraw/zinc/96/93/00/602969300.db2.gz OQIHDESFSONGPM-SNVBAGLBSA-N -1 0 335.743 3.803 20 0 EHADRM Cc1ccc([C@@H](C)CNC(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1 ZINC000830252074 602971752 /nfs/dbraw/zinc/97/17/52/602971752.db2.gz VRFUJOAHSLAIDN-AWEZNQCLSA-N -1 0 326.396 3.927 20 0 EHADRM CSc1ccc(O[C@@H](C)c2nc(C3(NC(=O)[O-])CCC3)no2)cc1 ZINC000740020608 602972910 /nfs/dbraw/zinc/97/29/10/602972910.db2.gz RHVYLVASRKMQSL-JTQLQIEISA-N -1 0 349.412 3.578 20 0 EHADRM Cc1ccc(C(=O)Nc2cc(CC(C)(C)C)[nH]n2)cc1NC(=O)[O-] ZINC000830231017 602993900 /nfs/dbraw/zinc/99/39/00/602993900.db2.gz XAHJMQUNZBMLFA-UHFFFAOYSA-N -1 0 330.388 3.649 20 0 EHADRM CS[C@@H]1CCC[C@@H](NC(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])C1 ZINC000739996778 602997969 /nfs/dbraw/zinc/99/79/69/602997969.db2.gz CJOKFUWZJOSTTR-TZMCWYRMSA-N -1 0 349.456 3.523 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(-c2ccc3ncccc3c2)n1 ZINC000738817938 603002281 /nfs/dbraw/zinc/00/22/81/603002281.db2.gz VPWUPPBRYJQXHX-AWEZNQCLSA-N -1 0 326.356 3.640 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCC[C@H]1NC(=O)[O-])c1cccc(Cl)c1Cl ZINC000738958030 603004513 /nfs/dbraw/zinc/00/45/13/603004513.db2.gz FMELYAMTTLQCCX-PTOFAABTSA-N -1 0 345.226 3.607 20 0 EHADRM O=C([O-])NCc1ccc(-c2nc(-c3ccccc3Cl)no2)cc1 ZINC000740670812 603006610 /nfs/dbraw/zinc/00/66/10/603006610.db2.gz IANAEBKBWSKQMT-UHFFFAOYSA-N -1 0 329.743 3.825 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc([C@H](C)CSc2ccccc2)n1 ZINC000738910517 603010813 /nfs/dbraw/zinc/01/08/13/603010813.db2.gz RZUPPANMNOCVSC-VXGBXAGGSA-N -1 0 335.429 3.679 20 0 EHADRM C[C@@H](CN(C)C(=O)[O-])c1noc(-c2ccc(F)c(C(F)(F)F)c2)n1 ZINC000738911366 603018810 /nfs/dbraw/zinc/01/88/10/603018810.db2.gz TVFHWAXWCKWXQT-ZETCQYMHSA-N -1 0 347.268 3.608 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc([C@H](C)SCc2ccccc2)n1 ZINC000738908798 603021293 /nfs/dbraw/zinc/02/12/93/603021293.db2.gz OSISCZOSFHEWRI-NEPJUHHUSA-N -1 0 335.429 3.777 20 0 EHADRM CC(C)(C)SCCNC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000738723833 603030313 /nfs/dbraw/zinc/03/03/13/603030313.db2.gz CYIACRSYUYCSTK-UHFFFAOYSA-N -1 0 329.397 3.569 20 0 EHADRM C[C@H](NC(=O)Nc1cc(NC(=O)[O-])ccc1F)c1cccc(O)c1 ZINC000738985817 603036173 /nfs/dbraw/zinc/03/61/73/603036173.db2.gz FJVVPCTZJWBACH-VIFPVBQESA-N -1 0 333.319 3.504 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)NCc2ccc(F)c(F)c2)c1 ZINC000740704539 603036801 /nfs/dbraw/zinc/03/68/01/603036801.db2.gz PBWAORWGIVBAMT-UHFFFAOYSA-N -1 0 339.273 3.516 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N[C@@H]2CCc3ccc(F)cc32)c1 ZINC000740708109 603038458 /nfs/dbraw/zinc/03/84/58/603038458.db2.gz YULBUXPXVCZCHP-CQSZACIVSA-N -1 0 347.321 3.864 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)cc1 ZINC000827901082 603039704 /nfs/dbraw/zinc/03/97/04/603039704.db2.gz UPVIVFWWDBHTFY-UONOGXRCSA-N -1 0 347.317 3.788 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)NCc2cc3ccccc3o2)c1 ZINC000740706083 603039982 /nfs/dbraw/zinc/03/99/82/603039982.db2.gz XRUDFAWGFLQTFX-UHFFFAOYSA-N -1 0 343.314 3.984 20 0 EHADRM Cc1cc(CNC(=O)Nc2cc(NC(=O)[O-])ccc2F)cc(C)c1O ZINC000740074273 603041174 /nfs/dbraw/zinc/04/11/74/603041174.db2.gz WPYPMVKSRKAFKU-UHFFFAOYSA-N -1 0 347.346 3.560 20 0 EHADRM Cc1ccccc1SCC(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000830591732 603053055 /nfs/dbraw/zinc/05/30/55/603053055.db2.gz RBVFCNNWBNFPEE-UHFFFAOYSA-N -1 0 331.393 3.807 20 0 EHADRM CCCCOCC(=O)Nc1cc(C(F)(F)F)ccc1NC(=O)[O-] ZINC000739332942 603055077 /nfs/dbraw/zinc/05/50/77/603055077.db2.gz FXSSIFXNGKLLII-UHFFFAOYSA-N -1 0 334.294 3.551 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)CC2CCN(C(=O)[O-])CC2)C1 ZINC000825850508 603061113 /nfs/dbraw/zinc/06/11/13/603061113.db2.gz CTBDEHCEYBYGAC-SUMWQHHRSA-N -1 0 348.418 3.515 20 0 EHADRM O=C([O-])NC1CCC(NC(=O)Nc2cccc3ccccc32)CC1 ZINC000740554870 603091055 /nfs/dbraw/zinc/09/10/55/603091055.db2.gz CLRJNJDGWBNUBN-UHFFFAOYSA-N -1 0 327.384 3.540 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NCc2nc(-c3cccs3)no2)cc1 ZINC000739017767 603102051 /nfs/dbraw/zinc/10/20/51/603102051.db2.gz SUIJMDHMIUXWOL-JTQLQIEISA-N -1 0 344.396 3.739 20 0 EHADRM C[C@@H](CNC(=O)c1cccc(NC(=O)[O-])c1)Oc1ccc(Cl)cc1 ZINC000824973109 603136465 /nfs/dbraw/zinc/13/64/65/603136465.db2.gz CYGRQQYCVDOLNL-NSHDSACASA-N -1 0 348.786 3.627 20 0 EHADRM CCN(Cc1cccc(NC(=O)NCc2cccs2)c1)C(=O)[O-] ZINC000739448487 603143714 /nfs/dbraw/zinc/14/37/14/603143714.db2.gz VWKNCINQUUSTKO-UHFFFAOYSA-N -1 0 333.413 3.570 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)[O-])cc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000825616795 603157242 /nfs/dbraw/zinc/15/72/42/603157242.db2.gz KKACDJWFJQTEBG-STQMWFEESA-N -1 0 340.379 3.522 20 0 EHADRM CSc1ccc(NC(=O)COc2ccc(N(C)C(=O)[O-])cc2)cc1 ZINC000829766009 603160098 /nfs/dbraw/zinc/16/00/98/603160098.db2.gz AWRLOHFQJBBFQH-UHFFFAOYSA-N -1 0 346.408 3.540 20 0 EHADRM CN(Cc1ccc2ccccc2c1)C(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739712476 603163600 /nfs/dbraw/zinc/16/36/00/603163600.db2.gz BHRZKPKDRVRVGC-QZTJIDSGSA-N -1 0 340.423 3.625 20 0 EHADRM C[C@@H]1CCCCCN1C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739100231 603165750 /nfs/dbraw/zinc/16/57/50/603165750.db2.gz PGXWVAMAHKUDJZ-CYBMUJFWSA-N -1 0 331.416 3.914 20 0 EHADRM CN(Cc1cccc(NC(=O)C2(c3ccccc3F)CC2)c1)C(=O)[O-] ZINC000739706665 603167331 /nfs/dbraw/zinc/16/73/31/603167331.db2.gz CVEBDEKQZUGKML-UHFFFAOYSA-N -1 0 342.370 3.606 20 0 EHADRM CCc1cccc(OCC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)c1 ZINC000827600929 603171986 /nfs/dbraw/zinc/17/19/86/603171986.db2.gz TZIRULAMEINNHC-ZDUSSCGKSA-N -1 0 342.395 3.595 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000825023745 603172706 /nfs/dbraw/zinc/17/27/06/603172706.db2.gz NEBXHAZQGRWLRA-KGLIPLIRSA-N -1 0 326.396 3.833 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000740047809 603174948 /nfs/dbraw/zinc/17/49/48/603174948.db2.gz IMIQGUKCILOMFR-MJBXVCDLSA-N -1 0 344.411 3.745 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2cccc3cccnc32)cc1 ZINC000825448609 603175449 /nfs/dbraw/zinc/17/54/49/603175449.db2.gz FMHLCHJYYRIGQR-LBPRGKRZSA-N -1 0 335.363 3.816 20 0 EHADRM O=C([O-])N1CCc2c(cccc2NC(=O)c2cc(Cl)ccc2F)C1 ZINC000740472919 603177359 /nfs/dbraw/zinc/17/73/59/603177359.db2.gz PUHHHHOFHXLTFF-UHFFFAOYSA-N -1 0 348.761 3.768 20 0 EHADRM Cc1ccc(-c2n[nH]cc2CNc2ccc([C@@H](C)NC(=O)[O-])cc2)o1 ZINC000830155643 603179645 /nfs/dbraw/zinc/17/96/45/603179645.db2.gz QNJRPDAOVVPHEO-GFCCVEGCSA-N -1 0 340.383 3.919 20 0 EHADRM C[C@H](NC(=O)c1cccc(NC(=O)[O-])c1)c1nc2ccccc2s1 ZINC000736658298 603180458 /nfs/dbraw/zinc/18/04/58/603180458.db2.gz JCLAUKQJNYLPGC-JTQLQIEISA-N -1 0 341.392 3.877 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)CNc2cccc(Cl)c2)cc1 ZINC000825423135 603184298 /nfs/dbraw/zinc/18/42/98/603184298.db2.gz NVKYMKVQOIUYCT-LLVKDONJSA-N -1 0 347.802 3.719 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2cncc3ccccc32)cc1 ZINC000825448102 603187236 /nfs/dbraw/zinc/18/72/36/603187236.db2.gz BRNPAGLUCUGYTD-LBPRGKRZSA-N -1 0 335.363 3.816 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2cc3c(s2)CCC3)cc1 ZINC000825443012 603193720 /nfs/dbraw/zinc/19/37/20/603193720.db2.gz VSVOFFPUSMNTOS-SNVBAGLBSA-N -1 0 330.409 3.818 20 0 EHADRM Cc1ccc(C)c(OCC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)c1 ZINC000830274840 603193815 /nfs/dbraw/zinc/19/38/15/603193815.db2.gz NAGDSFCPAYPBBH-CQSZACIVSA-N -1 0 342.395 3.650 20 0 EHADRM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cc2occc2s1 ZINC000740518376 603196246 /nfs/dbraw/zinc/19/62/46/603196246.db2.gz QQJKXIIWRRMREW-NWDGAFQWSA-N -1 0 348.424 3.631 20 0 EHADRM Cc1ccc(C(=O)NC[C@H](C)c2ccc(F)cc2F)cc1NC(=O)[O-] ZINC000830211157 603208940 /nfs/dbraw/zinc/20/89/40/603208940.db2.gz KCAPPFJWJZFARQ-NSHDSACASA-N -1 0 348.349 3.897 20 0 EHADRM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000739050624 603214027 /nfs/dbraw/zinc/21/40/27/603214027.db2.gz BDIUQBNOIGYMIM-ZJUUUORDSA-N -1 0 345.226 3.513 20 0 EHADRM COc1ccc([C@H](C)NC(=O)c2ccc(NC(=O)[O-])cc2Cl)cc1 ZINC000739896269 603214084 /nfs/dbraw/zinc/21/40/84/603214084.db2.gz LVGFURZRHWSFIN-JTQLQIEISA-N -1 0 348.786 3.930 20 0 EHADRM C[C@H](c1ccccn1)N(C)C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739060983 603233253 /nfs/dbraw/zinc/23/32/53/603233253.db2.gz RBCNOCQLSMGGEK-SNVBAGLBSA-N -1 0 333.775 3.658 20 0 EHADRM CCc1cccc(C)c1NC(=O)NC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000827596562 603244756 /nfs/dbraw/zinc/24/47/56/603244756.db2.gz VQHUETTUTXJLBI-MRXNPFEDSA-N -1 0 341.411 3.688 20 0 EHADRM CCc1cccc(C)c1NC(=O)N[C@H]1CCCC[C@@H]1CNC(=O)[O-] ZINC000827594940 603245017 /nfs/dbraw/zinc/24/50/17/603245017.db2.gz JOGUUURPZJPBFZ-CABCVRRESA-N -1 0 333.432 3.505 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)Nc2cc(F)ccc2F)cc1 ZINC000825443020 603249293 /nfs/dbraw/zinc/24/92/93/603249293.db2.gz VWUFHQGXUVONNN-VIFPVBQESA-N -1 0 335.310 3.937 20 0 EHADRM Cc1ccc(NC(=O)[C@H](C)[C@H](NC(=O)[O-])c2ccccc2)c(F)c1 ZINC000830352864 603255860 /nfs/dbraw/zinc/25/58/60/603255860.db2.gz KUSXNUNRIMXAOY-WBMJQRKESA-N -1 0 330.359 3.718 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)Nc2nc3c(s2)CCC3)cc1 ZINC000825443021 603259042 /nfs/dbraw/zinc/25/90/42/603259042.db2.gz VYAUOMCKCKJYQK-SECBINFHSA-N -1 0 346.412 3.604 20 0 EHADRM CCc1ccc([C@H]2CCCCN2C(=O)C2CCC(NC(=O)[O-])CC2)o1 ZINC000739544270 603278281 /nfs/dbraw/zinc/27/82/81/603278281.db2.gz ROVAWXNSSXIBTD-ZBCRRDGASA-N -1 0 348.443 3.722 20 0 EHADRM COc1cc(NC(=O)N2CCCC(C)(C)CC2)ccc1NC(=O)[O-] ZINC000829158714 603282014 /nfs/dbraw/zinc/28/20/14/603282014.db2.gz HZKVFKUNRQEKFE-UHFFFAOYSA-N -1 0 335.404 3.829 20 0 EHADRM CC(C)C[C@H](C(=O)N1CCC[C@@H](CN(C)C(=O)[O-])C1)c1ccccc1 ZINC000738805347 603287605 /nfs/dbraw/zinc/28/76/05/603287605.db2.gz MGSRUNUZHBXISJ-WMZOPIPTSA-N -1 0 346.471 3.665 20 0 EHADRM CC(C)(C(=O)Nc1ccc(NC(=O)[O-])nc1)c1cccc(Cl)c1 ZINC000738660826 603288068 /nfs/dbraw/zinc/28/80/68/603288068.db2.gz CFXUHUDZTPEKAU-UHFFFAOYSA-N -1 0 333.775 3.741 20 0 EHADRM Cc1nc(CN(Cc2ccccc2)[C@H]2CCCN(C(=O)[O-])C2)cs1 ZINC000740224834 603304753 /nfs/dbraw/zinc/30/47/53/603304753.db2.gz ZKBGTGXNXFKTLJ-KRWDZBQOSA-N -1 0 345.468 3.596 20 0 EHADRM CCSCC[C@@H](C)N(C)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000827505097 603310586 /nfs/dbraw/zinc/31/05/86/603310586.db2.gz ZWYLHKKNSBKKNS-LLVKDONJSA-N -1 0 325.434 3.772 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)N(C)CCCNC(=O)[O-] ZINC000739543627 603314047 /nfs/dbraw/zinc/31/40/47/603314047.db2.gz ZMAWZJRTRYTCQK-UHFFFAOYSA-N -1 0 341.839 3.586 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(N(C)C)c(C)c2)cc1NC(=O)[O-] ZINC000830230591 603317341 /nfs/dbraw/zinc/31/73/41/603317341.db2.gz MCLKRSUNAMYXOQ-UHFFFAOYSA-N -1 0 327.384 3.712 20 0 EHADRM Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000740156100 603323975 /nfs/dbraw/zinc/32/39/75/603323975.db2.gz WNUWPPKTXGJMGO-KRWDZBQOSA-N -1 0 339.395 3.572 20 0 EHADRM CSc1cccc(NC(=O)Nc2cccc(CNC(=O)[O-])c2)c1 ZINC000740024035 603325084 /nfs/dbraw/zinc/32/50/84/603325084.db2.gz UUWNARAXEOYPAO-UHFFFAOYSA-N -1 0 331.397 3.820 20 0 EHADRM CN(Cc1ccccc1NC(=O)NC1CCC(C)(C)CC1)C(=O)[O-] ZINC000828400054 603330513 /nfs/dbraw/zinc/33/05/13/603330513.db2.gz OUZCAJRRLWEVCN-UHFFFAOYSA-N -1 0 333.432 3.887 20 0 EHADRM Cc1ccc(CN(C)C(=O)Nc2ccccc2CN(C)C(=O)[O-])cc1 ZINC000740121275 603337267 /nfs/dbraw/zinc/33/72/67/603337267.db2.gz HTTMIVUVNCHKIJ-UHFFFAOYSA-N -1 0 341.411 3.769 20 0 EHADRM C[C@@H](C(=O)Nc1ccc2ncccc2c1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823716228 603340556 /nfs/dbraw/zinc/34/05/56/603340556.db2.gz ZEBGHTJBCNZBKN-FZKQIMNGSA-N -1 0 349.390 3.818 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N[C@@H](C)c1ccc(C)o1)C(=O)[O-] ZINC000739446837 603349914 /nfs/dbraw/zinc/34/99/14/603349914.db2.gz LTVBRDRYFCQZTK-ZDUSSCGKSA-N -1 0 345.399 3.971 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N[C@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000739448369 603350606 /nfs/dbraw/zinc/35/06/06/603350606.db2.gz SKQXCIDGPGSTAE-HIFRSBDPSA-N -1 0 333.432 3.887 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)NC(=O)[O-] ZINC000824583395 603361519 /nfs/dbraw/zinc/36/15/19/603361519.db2.gz UDEUDTFYDIWCHT-RNCFNFMXSA-N -1 0 345.226 3.703 20 0 EHADRM Cc1cccc(CNC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)c1 ZINC000830497695 603377520 /nfs/dbraw/zinc/37/75/20/603377520.db2.gz JUUVLCTWLVOXMV-ZDUSSCGKSA-N -1 0 327.384 3.645 20 0 EHADRM CCc1cccc(NC(=S)NC[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000739547922 603378236 /nfs/dbraw/zinc/37/82/36/603378236.db2.gz ODORXAKSRIQIAQ-INIZCTEOSA-N -1 0 343.452 3.544 20 0 EHADRM CN(Cc1ccccc1NC(=O)C[C@H]1CCc2ccccc21)C(=O)[O-] ZINC000739713426 603398525 /nfs/dbraw/zinc/39/85/25/603398525.db2.gz IWUFIGUVGGGXMX-OAHLLOKOSA-N -1 0 338.407 3.855 20 0 EHADRM C[C@H](c1nc(C2(NC(=O)[O-])CCCC2)no1)c1cccc(Cl)c1 ZINC000825629969 603415622 /nfs/dbraw/zinc/41/56/22/603415622.db2.gz LOJDQEFKXRXQSE-JTQLQIEISA-N -1 0 335.791 3.912 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)c1nc(C2(NC(=O)[O-])CCCC2)no1 ZINC000824816411 603415640 /nfs/dbraw/zinc/41/56/40/603415640.db2.gz JLWRQYUEOMQNLZ-LBPRGKRZSA-N -1 0 347.390 3.982 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H](c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000832340318 603419647 /nfs/dbraw/zinc/41/96/47/603419647.db2.gz QTWWOOFXWZZMFB-DGCLKSJQSA-N -1 0 335.791 3.608 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CCCC[C@@H]2c2nccs2)ccc1F ZINC000740696086 603431451 /nfs/dbraw/zinc/43/14/51/603431451.db2.gz NIZZHGGDWJJHNX-CYBMUJFWSA-N -1 0 349.387 3.740 20 0 EHADRM O=C([O-])N1CCCN(C(=O)c2ccc3c(c2)CCC3)c2ccccc21 ZINC000740516285 603432144 /nfs/dbraw/zinc/43/21/44/603432144.db2.gz SAEVZRYTJYMLTQ-UHFFFAOYSA-N -1 0 336.391 3.710 20 0 EHADRM C[C@H](C(=O)Nc1cccc2cnccc21)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823722310 603448110 /nfs/dbraw/zinc/44/81/10/603448110.db2.gz DPKBDESCVMYGFC-SCLBCKFNSA-N -1 0 349.390 3.818 20 0 EHADRM CC(C)(C)Oc1ccc(-c2nc(C3(NC(=O)[O-])CCC3)no2)cc1 ZINC000823833081 603461560 /nfs/dbraw/zinc/46/15/60/603461560.db2.gz HDEBRQWAHPWLTP-UHFFFAOYSA-N -1 0 331.372 3.561 20 0 EHADRM COc1ccc(F)c(NC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)c1 ZINC000829414263 603476833 /nfs/dbraw/zinc/47/68/33/603476833.db2.gz PAVNKXPMHLZNLQ-JTQLQIEISA-N -1 0 347.346 3.807 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-] ZINC000829866806 603477103 /nfs/dbraw/zinc/47/71/03/603477103.db2.gz DGOXNPIZLNOYPU-ZBFHGGJFSA-N -1 0 348.443 3.685 20 0 EHADRM Cc1nn(C(C)(C)C)c(C)c1C(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000830840823 603480593 /nfs/dbraw/zinc/48/05/93/603480593.db2.gz UYQLOONMQUZZFS-UHFFFAOYSA-N -1 0 331.372 3.564 20 0 EHADRM CCc1c(C(=O)Oc2cccc(NC(=O)[O-])c2)cnn1C(C)(C)C ZINC000827552725 603482342 /nfs/dbraw/zinc/48/23/42/603482342.db2.gz YKRPDSQKYNKLSZ-UHFFFAOYSA-N -1 0 331.372 3.510 20 0 EHADRM CC[C@@H]1CCCCN1C(=O)c1cc(Cl)c(NC(=O)[O-])cc1OC ZINC000826669622 603524816 /nfs/dbraw/zinc/52/48/16/603524816.db2.gz XZMKUKQATBYVKD-SNVBAGLBSA-N -1 0 340.807 3.843 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)Nc2cc(-c3ccccc3)ns2)C1 ZINC000832323482 603539517 /nfs/dbraw/zinc/53/95/17/603539517.db2.gz DLDXGSVIIBCOQQ-OLZOCXBDSA-N -1 0 345.424 3.575 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N1CCC[C@H](C)[C@@H]1C ZINC000829173509 603541558 /nfs/dbraw/zinc/54/15/58/603541558.db2.gz KIRHGSOTUQVOPH-UWVGGRQHSA-N -1 0 340.807 3.699 20 0 EHADRM O=C([O-])N[C@H]1CC[C@@H](C(=O)Nc2cccc(-c3cccs3)c2)C1 ZINC000832285668 603549132 /nfs/dbraw/zinc/54/91/32/603549132.db2.gz GFHZVMUBASGRJZ-OCCSQVGLSA-N -1 0 330.409 3.790 20 0 EHADRM CC(C)(NC(=O)NCCc1ccc(NC(=O)[O-])cc1)c1cccs1 ZINC000736323690 603567191 /nfs/dbraw/zinc/56/71/91/603567191.db2.gz HIRBLWXIVSCDHG-UHFFFAOYSA-N -1 0 347.440 3.615 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](NC(=O)CC1CN(C(=O)[O-])C1)C(C)C ZINC000829860361 603575731 /nfs/dbraw/zinc/57/57/31/603575731.db2.gz XYZMWUVMOIYNOY-KRWDZBQOSA-N -1 0 344.411 3.554 20 0 EHADRM CC(C)C[C@H]1CCN(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)C1 ZINC000824233510 603604830 /nfs/dbraw/zinc/60/48/30/603604830.db2.gz ZIQMCKHGIHJRPK-UONOGXRCSA-N -1 0 333.432 3.915 20 0 EHADRM CCC[C@H](NC(=O)N(C)C1CCC(NC(=O)[O-])CC1)c1ccccc1 ZINC000826743603 603614276 /nfs/dbraw/zinc/61/42/76/603614276.db2.gz KRQCCRIYJTWULI-JCYILVPMSA-N -1 0 347.459 3.748 20 0 EHADRM CC(C)CC1(C(=O)N2CCC[C@H]([C@@H]3CCCN3C(=O)[O-])C2)CCC1 ZINC000824223570 603650021 /nfs/dbraw/zinc/65/00/21/603650021.db2.gz GJYFSCPPZQLLCY-HOTGVXAUSA-N -1 0 336.476 3.584 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)cc1 ZINC000832829643 603716896 /nfs/dbraw/zinc/71/68/96/603716896.db2.gz YGRTXZOIOPARBL-UHFFFAOYSA-N -1 0 342.370 3.935 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@H](C2CCCC2)C(F)(F)F)cc1 ZINC000832834309 603770109 /nfs/dbraw/zinc/77/01/09/603770109.db2.gz VZYBGRBMQANHEP-GFCCVEGCSA-N -1 0 330.306 3.627 20 0 EHADRM C[C@@H](c1ccccc1)N(C)C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000825637455 603816274 /nfs/dbraw/zinc/81/62/74/603816274.db2.gz DEFYZRQNMGHLRA-YTTRVJOFSA-N -1 0 330.428 3.517 20 0 EHADRM CSc1ccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc1 ZINC000829766736 603823146 /nfs/dbraw/zinc/82/31/46/603823146.db2.gz OOEWRCNKQDIUMN-QXMXGUDHSA-N -1 0 334.441 3.658 20 0 EHADRM Cc1ccc(NC(=S)N(C)CC[C@H](NC(=O)[O-])C(C)C)cc1C ZINC000830395139 603831343 /nfs/dbraw/zinc/83/13/43/603831343.db2.gz BUJFFNWMFJFPNI-HNNXBMFYSA-N -1 0 337.489 3.614 20 0 EHADRM COc1cccc([C@H](C)CC(=O)Nc2ccccc2NC(=O)[O-])c1 ZINC000829543234 603878055 /nfs/dbraw/zinc/87/80/55/603878055.db2.gz GWJHKXHBGWHYPM-GFCCVEGCSA-N -1 0 328.368 3.917 20 0 EHADRM C[C@@H](C(=O)Nc1cccc2c1CCN2C(=O)[O-])c1cccc(F)c1 ZINC000823723493 603945090 /nfs/dbraw/zinc/94/50/90/603945090.db2.gz KYXPRMNQISSJDC-LLVKDONJSA-N -1 0 328.343 3.608 20 0 EHADRM CS[C@H](C(=O)Nc1cccc2c1CCN2C(=O)[O-])c1ccccc1 ZINC000829704170 603955184 /nfs/dbraw/zinc/95/51/84/603955184.db2.gz PTTKYKVQUATQCH-INIZCTEOSA-N -1 0 342.420 3.770 20 0 EHADRM Cc1cccc2[nH]cc(CC(=O)Nc3cccc4c3CCN4C(=O)[O-])c21 ZINC000830533640 603955191 /nfs/dbraw/zinc/95/51/91/603955191.db2.gz WWBSIXFPQUHLHT-UHFFFAOYSA-N -1 0 349.390 3.698 20 0 EHADRM COCc1ccccc1NC(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000829044187 603967171 /nfs/dbraw/zinc/96/71/71/603967171.db2.gz DTBMZRDTJQSYSS-UHFFFAOYSA-N -1 0 341.367 3.518 20 0 EHADRM C[C@H](c1ccc(F)cc1)N(C)C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000825629799 603971337 /nfs/dbraw/zinc/97/13/37/603971337.db2.gz IHSYJNPUHFESTP-KZWSWKJNSA-N -1 0 348.418 3.656 20 0 EHADRM CS[C@H]1CCC[C@H](NC(=O)Nc2cccc3c2CCN3C(=O)[O-])C1 ZINC000829710478 603995164 /nfs/dbraw/zinc/99/51/64/603995164.db2.gz NFLSSOWNCUZGID-RYUDHWBXSA-N -1 0 349.456 3.523 20 0 EHADRM Cc1ccc(NC(=O)N2CCCC[C@H]2[C@H]2CCCN2C(=O)[O-])s1 ZINC000830380930 604027549 /nfs/dbraw/zinc/02/75/49/604027549.db2.gz CMUQACGLPVGQRO-QWHCGFSZSA-N -1 0 337.445 3.585 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-] ZINC000827181855 604145217 /nfs/dbraw/zinc/14/52/17/604145217.db2.gz BGPNXYUTSYIYHA-GASCZTMLSA-N -1 0 345.443 3.840 20 0 EHADRM CCc1sc(CN(CC)C(=O)[O-])nc1-c1ccc(NC(C)=O)cc1 ZINC000827681624 604148750 /nfs/dbraw/zinc/14/87/50/604148750.db2.gz QQYCLWZBUSCLGM-UHFFFAOYSA-N -1 0 347.440 3.831 20 0 EHADRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cc2csc(C3CCCC3)n2)C1 ZINC000825270754 604207107 /nfs/dbraw/zinc/20/71/07/604207107.db2.gz CJAPVVXDTKRFAY-OCCSQVGLSA-N -1 0 337.489 3.669 20 0 EHADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000825236479 604232916 /nfs/dbraw/zinc/23/29/16/604232916.db2.gz NVJWIMHLMMAGPS-NXEZZACHSA-N -1 0 345.226 3.502 20 0 EHADRM CC(C)[C@H](C(=O)OC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccccc1 ZINC000824057089 604239553 /nfs/dbraw/zinc/23/95/53/604239553.db2.gz OTDRBZOGDOINTN-WFVVYAPDSA-N -1 0 331.412 3.643 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CC[C@H](c3ccc(F)cc3)C2)cc1 ZINC000832828770 604244893 /nfs/dbraw/zinc/24/48/93/604244893.db2.gz LDHMZYFFEPPKDU-AWEZNQCLSA-N -1 0 328.343 3.545 20 0 EHADRM O=C([O-])N[C@H]1CC[C@@H](C(=O)Oc2ccccc2SC(F)(F)F)C1 ZINC000832312637 604248167 /nfs/dbraw/zinc/24/81/67/604248167.db2.gz INYXKTWERCMOQD-BDAKNGLRSA-N -1 0 349.330 3.640 20 0 EHADRM C[C@@H](CC(=O)NCCc1ccc(NC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000736542268 604249778 /nfs/dbraw/zinc/24/97/78/604249778.db2.gz WYFINOHSTGKGMC-ZDUSSCGKSA-N -1 0 344.386 3.768 20 0 EHADRM C[C@H](CC(=O)NCCc1ccc(NC(=O)[O-])cc1)c1ccccc1F ZINC000736541005 604252725 /nfs/dbraw/zinc/25/27/25/604252725.db2.gz GKVSIQWHQOSGOD-CYBMUJFWSA-N -1 0 344.386 3.768 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCc1ccc(Cl)cc1Cl ZINC000832845474 604265461 /nfs/dbraw/zinc/26/54/61/604265461.db2.gz HCLMBKMURJTTQH-UHFFFAOYSA-N -1 0 341.194 3.567 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCCC[C@@H]2c2ccncc2)cc1F ZINC000833309789 604284421 /nfs/dbraw/zinc/28/44/21/604284421.db2.gz MVJHKXKYQRKRRR-QGZVFWFLSA-N -1 0 342.370 3.676 20 0 EHADRM Cc1cc(C)c2c(c1)N(C(=O)c1ccc(C(=O)[O-])c(F)c1)CCC2 ZINC000832873863 604305743 /nfs/dbraw/zinc/30/57/43/604305743.db2.gz CGMCKTFEFQARNA-UHFFFAOYSA-N -1 0 327.355 3.734 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(C)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000389932781 604320413 /nfs/dbraw/zinc/32/04/13/604320413.db2.gz JNOTYLCOXIMBSW-JTQLQIEISA-N -1 0 333.775 3.658 20 0 EHADRM C[C@H](CC(=O)N1CCc2ccccc2[C@@H]1C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824607283 604341541 /nfs/dbraw/zinc/34/15/41/604341541.db2.gz WUBMVTBXAUXMGY-VYDXJSESSA-N -1 0 344.455 3.549 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2CCC2CCCCC2)nc1 ZINC000577933952 604342560 /nfs/dbraw/zinc/34/25/60/604342560.db2.gz WWLQCKVNIRCADE-INIZCTEOSA-N -1 0 330.428 3.745 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(CNc2ncnc3sccc32)cc1 ZINC000825401386 604345959 /nfs/dbraw/zinc/34/59/59/604345959.db2.gz CUXVGFFYGVWMIE-JTQLQIEISA-N -1 0 328.397 3.632 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)CCCc1ccccc1)c1ccccc1 ZINC000826090667 604373019 /nfs/dbraw/zinc/37/30/19/604373019.db2.gz VSMMZOZCBSBALF-LJQANCHMSA-N -1 0 339.435 3.978 20 0 EHADRM C[C@@H](SCc1coc(-c2ccc(Br)cc2)n1)C(=O)[O-] ZINC000739053748 604386051 /nfs/dbraw/zinc/38/60/51/604386051.db2.gz DPDBJSAHWWVCOQ-MRVPVSSYSA-N -1 0 342.214 3.810 20 0 EHADRM Cc1ccc(CCC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1 ZINC000832930780 604386349 /nfs/dbraw/zinc/38/63/49/604386349.db2.gz NOKIKMOETQMQAO-LJQANCHMSA-N -1 0 339.435 3.896 20 0 EHADRM Cc1cc(Cl)ncc1NC(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000830055049 604387111 /nfs/dbraw/zinc/38/71/11/604387111.db2.gz NBCLCKJXIWONCM-UHFFFAOYSA-N -1 0 346.774 3.728 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1ccnn1C1CCCC1)c1ccccc1 ZINC000828594577 604389564 /nfs/dbraw/zinc/38/95/64/604389564.db2.gz DPGUHCYVTKHPCJ-MRXNPFEDSA-N -1 0 341.411 3.508 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1cccc2cc[nH]c21)c1ccccc1 ZINC000826106059 604391345 /nfs/dbraw/zinc/39/13/45/604391345.db2.gz QMZCJCKAVUHERT-KRWDZBQOSA-N -1 0 336.391 3.750 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000826103778 604392289 /nfs/dbraw/zinc/39/22/89/604392289.db2.gz WZBIAXDSOLKTFL-CYBMUJFWSA-N -1 0 337.828 3.983 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)O[C@H]1CCc2sc(Cl)cc21 ZINC000826808070 604414758 /nfs/dbraw/zinc/41/47/58/604414758.db2.gz RMEDLBPSCLVSQS-UWVGGRQHSA-N -1 0 331.821 3.614 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc([C@@H](C)OC2CCCCCC2)n1 ZINC000824901935 604423650 /nfs/dbraw/zinc/42/36/50/604423650.db2.gz JLSWIWQQXKSGMW-VXGBXAGGSA-N -1 0 325.409 3.583 20 0 EHADRM CC(C)(CCC(=O)N[C@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000683318012 604462922 /nfs/dbraw/zinc/46/29/22/604462922.db2.gz DPHUFDBOUCQUNY-SFHVURJKSA-N -1 0 343.398 3.826 20 0 EHADRM O=C([O-])CCCCNC(=O)N1CCc2cc(-c3ccccc3)ccc21 ZINC000666558585 604479215 /nfs/dbraw/zinc/47/92/15/604479215.db2.gz HMINIRNQIGOKIP-UHFFFAOYSA-N -1 0 338.407 3.681 20 0 EHADRM C[C@@H]1CSc2ccccc2N(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)C1 ZINC000833631986 604485324 /nfs/dbraw/zinc/48/53/24/604485324.db2.gz IAPRSZCEWSQJQS-IHRRRGAJSA-N -1 0 333.453 3.652 20 0 EHADRM O=C([O-])c1csc(NC(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC000833343068 604487481 /nfs/dbraw/zinc/48/74/81/604487481.db2.gz VNFIKYUIEVGBGD-LBPRGKRZSA-N -1 0 348.399 3.682 20 0 EHADRM CN(CCc1ccc(Cl)cc1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000830795383 604492159 /nfs/dbraw/zinc/49/21/59/604492159.db2.gz SUBJHNWFBNJMRO-UHFFFAOYSA-N -1 0 338.816 3.806 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000828182976 604501813 /nfs/dbraw/zinc/50/18/13/604501813.db2.gz ATXFRWLLAHXOBU-YPMHNXCESA-N -1 0 330.409 3.856 20 0 EHADRM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000828183142 604502428 /nfs/dbraw/zinc/50/24/28/604502428.db2.gz DNCWMWNZRPTPSI-PWSUYJOCSA-N -1 0 348.399 3.995 20 0 EHADRM CCS[C@@H]1CCC[C@H](NC(=O)Nc2cc(C(=O)[O-])cs2)C1 ZINC000830157345 604502542 /nfs/dbraw/zinc/50/25/42/604502542.db2.gz IWTZOBWDMAOWBN-WDEREUQCSA-N -1 0 328.459 3.632 20 0 EHADRM Cc1ccc(C(=O)N2CCOC3(C2)CCCCCC3)cc1NC(=O)[O-] ZINC000830199494 604511130 /nfs/dbraw/zinc/51/11/30/604511130.db2.gz YYCMNPWQLNMHEO-UHFFFAOYSA-N -1 0 346.427 3.650 20 0 EHADRM CO[C@@H](CNC(=O)c1ccc(NC(=O)[O-])cc1)c1ccccc1Cl ZINC000828849688 604514767 /nfs/dbraw/zinc/51/47/67/604514767.db2.gz VOHYYJFWJRJUHS-HNNXBMFYSA-N -1 0 348.786 3.547 20 0 EHADRM O=C([O-])c1csc(NC(=O)Nc2cccc(OC(F)F)c2)c1 ZINC000833159729 604514969 /nfs/dbraw/zinc/51/49/69/604514969.db2.gz LMHHMVIZAJUGQL-UHFFFAOYSA-N -1 0 328.296 3.692 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2CCOc3c(C(=O)[O-])cccc32)cc1 ZINC000392745331 604524012 /nfs/dbraw/zinc/52/40/12/604524012.db2.gz UBKCMICETNYWBD-UHFFFAOYSA-N -1 0 339.391 3.722 20 0 EHADRM C/C(=C/c1ccccc1Cl)C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000833386346 604546650 /nfs/dbraw/zinc/54/66/50/604546650.db2.gz NVCNBUPXVDFJOM-CMUBDUJZSA-N -1 0 335.812 3.747 20 0 EHADRM CCOCCC1(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CCC1 ZINC000262822286 604556338 /nfs/dbraw/zinc/55/63/38/604556338.db2.gz WEFUYJHHEFIWRK-UHFFFAOYSA-N -1 0 333.428 3.584 20 0 EHADRM CC(C)[C@H](C(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000833466446 604557262 /nfs/dbraw/zinc/55/72/62/604557262.db2.gz ZOYXVVCXEHGIQI-KRWDZBQOSA-N -1 0 344.386 3.972 20 0 EHADRM C/C(=C\c1ccccc1Cl)C(=O)N(C)c1ncc(C(=O)[O-])s1 ZINC000833387277 604566084 /nfs/dbraw/zinc/56/60/84/604566084.db2.gz WPPIQDOCTAYMQU-VQHVLOKHSA-N -1 0 336.800 3.561 20 0 EHADRM C[C@@H](C(=O)N1CCC[C@H]1CC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000262935970 604571467 /nfs/dbraw/zinc/57/14/67/604571467.db2.gz LRSRSGAITBZRRD-KOLCDFICSA-N -1 0 330.211 3.563 20 0 EHADRM CC(C)(C)SCC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833446432 604573929 /nfs/dbraw/zinc/57/39/29/604573929.db2.gz AMYPSSYEJVVFQO-UHFFFAOYSA-N -1 0 327.471 3.724 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000262933141 604583544 /nfs/dbraw/zinc/58/35/44/604583544.db2.gz LKENJZVTLWTKTM-IHRRRGAJSA-N -1 0 342.222 3.563 20 0 EHADRM CC(C)C1(CNC(=O)Nc2cccc(SCCC(=O)[O-])c2)CC1 ZINC000833469543 604599175 /nfs/dbraw/zinc/59/91/75/604599175.db2.gz BAMMQASDEUMVNB-UHFFFAOYSA-N -1 0 336.457 3.811 20 0 EHADRM C[C@@H]1CCC[C@@H](NC(=O)Nc2cccc(SCCC(=O)[O-])c2)C1 ZINC000833607438 604602470 /nfs/dbraw/zinc/60/24/70/604602470.db2.gz FTTHTLGBRAAFQV-CHWSQXEVSA-N -1 0 336.457 3.954 20 0 EHADRM O=C([O-])c1cc(CN2CCc3c(Cl)c(Cl)ccc3C2)c[nH]1 ZINC000833780148 604628506 /nfs/dbraw/zinc/62/85/06/604628506.db2.gz RUFSDSSNGQIVJH-UHFFFAOYSA-N -1 0 325.195 3.578 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000828874995 604629410 /nfs/dbraw/zinc/62/94/10/604629410.db2.gz ZOHXJSDHOWMHMU-UHFFFAOYSA-N -1 0 335.429 3.873 20 0 EHADRM O=C([O-])c1cccc(NC2CCN(c3ncc(Cl)cc3F)CC2)c1 ZINC000833331425 604641160 /nfs/dbraw/zinc/64/11/60/604641160.db2.gz IDTMRFWXZOIFCN-UHFFFAOYSA-N -1 0 349.793 3.653 20 0 EHADRM CCOCc1cc(CNc2ccc(N(C)C(=O)[O-])cc2)ccc1OC ZINC000830021126 604643636 /nfs/dbraw/zinc/64/36/36/604643636.db2.gz CUIKAARMXICOLQ-UHFFFAOYSA-N -1 0 344.411 3.958 20 0 EHADRM CCOCc1cccc(NCc2cc(C)c(OCC(=O)[O-])c(C)c2)c1 ZINC000830022517 604658801 /nfs/dbraw/zinc/65/88/01/604658801.db2.gz VHLZAONCKBDFRK-UHFFFAOYSA-N -1 0 343.423 3.915 20 0 EHADRM C[C@H](Oc1ccc(CN(Cc2ccccc2)CC(F)F)cc1)C(=O)[O-] ZINC000833537893 604664921 /nfs/dbraw/zinc/66/49/21/604664921.db2.gz PYMMGEMGGGJEAA-AWEZNQCLSA-N -1 0 349.377 3.806 20 0 EHADRM Cc1cc(F)cc(NC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000832887922 604667270 /nfs/dbraw/zinc/66/72/70/604667270.db2.gz MJFAUSKTZYCPGT-MLGOLLRUSA-N -1 0 330.359 3.718 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc2[nH]ccc2c1)C1CCN(C(=O)[O-])CC1 ZINC000824696135 604677360 /nfs/dbraw/zinc/67/73/60/604677360.db2.gz QSNDNAJXPWWMHV-LBPRGKRZSA-N -1 0 329.400 3.523 20 0 EHADRM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)CCc1ccccc1C(=O)[O-] ZINC000262252269 604680037 /nfs/dbraw/zinc/68/00/37/604680037.db2.gz VPEUTZVIZZUYAK-LBPRGKRZSA-N -1 0 347.361 3.815 20 0 EHADRM CC(C)(C)OC(=O)c1cccc(C(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000833443853 604685619 /nfs/dbraw/zinc/68/56/19/604685619.db2.gz CGOUGSHXRAIAHE-UHFFFAOYSA-N -1 0 341.363 3.592 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2ccc(F)c(Cl)c2)cc1F ZINC000833352711 604694625 /nfs/dbraw/zinc/69/46/25/604694625.db2.gz IVTGAJMVXPLBBG-UHFFFAOYSA-N -1 0 326.682 3.673 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000833287540 604699122 /nfs/dbraw/zinc/69/91/22/604699122.db2.gz LFVPOUZXOOIVCP-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM C[C@H](Nc1cccc(C(=O)[O-])n1)c1ccc(OCC2CC2)c(F)c1 ZINC000833525791 604716333 /nfs/dbraw/zinc/71/63/33/604716333.db2.gz QTHJVCZQRUPDQR-NSHDSACASA-N -1 0 330.359 3.881 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H]2CCCc2ccccc2)C1 ZINC000263567077 604716879 /nfs/dbraw/zinc/71/68/79/604716879.db2.gz GJTHFPJAZBRYBZ-OTWHNJEPSA-N -1 0 343.467 3.891 20 0 EHADRM CC(C)CCc1nc(COC(=O)Cc2cccc(C(=O)[O-])c2)cs1 ZINC000833484751 604728142 /nfs/dbraw/zinc/72/81/42/604728142.db2.gz UZJUWYLQLZACFR-UHFFFAOYSA-N -1 0 347.436 3.716 20 0 EHADRM Cc1cc(C(=O)Nc2nc(CCC(=O)[O-])cs2)c(Cl)cc1F ZINC000832867394 604730241 /nfs/dbraw/zinc/73/02/41/604730241.db2.gz QXMHAJVSJNOUBQ-UHFFFAOYSA-N -1 0 342.779 3.514 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2n[nH]c3c2cccc3Cl)cc1 ZINC000833282496 604749111 /nfs/dbraw/zinc/74/91/11/604749111.db2.gz FBCFOPUPENTTTA-UHFFFAOYSA-N -1 0 330.731 3.559 20 0 EHADRM C[C@@H](SCc1ccc(C(=O)[O-])cc1F)C(=O)N1CCCCCC1 ZINC000833543291 604754433 /nfs/dbraw/zinc/75/44/33/604754433.db2.gz QHBGLFKKSBZNEB-GFCCVEGCSA-N -1 0 339.432 3.548 20 0 EHADRM C/C(=C\C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1)C(C)(C)C ZINC000825716271 604780368 /nfs/dbraw/zinc/78/03/68/604780368.db2.gz AZBIVSQHHKUXCA-WYMLVPIESA-N -1 0 344.455 3.780 20 0 EHADRM CCC/C(C)=C\C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000829209758 604782602 /nfs/dbraw/zinc/78/26/02/604782602.db2.gz WWMSWKXGKVLWEC-OWBHPGMISA-N -1 0 330.428 3.534 20 0 EHADRM CC(C)Nc1ccc(F)cc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000539677131 604787426 /nfs/dbraw/zinc/78/74/26/604787426.db2.gz XIBQGKQSCLCHHG-UHFFFAOYSA-N -1 0 330.359 3.525 20 0 EHADRM CCOc1ccc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1OCC ZINC000830084378 604805678 /nfs/dbraw/zinc/80/56/78/604805678.db2.gz BDTQBQYPHUMYAN-UHFFFAOYSA-N -1 0 347.342 3.574 20 0 EHADRM Cc1ccc(C2=CCN(C(=O)c3ccc(C(=O)[O-])c(F)c3)CC2)cc1 ZINC000832928086 604806454 /nfs/dbraw/zinc/80/64/54/604806454.db2.gz AMDXYCDQGPYSGF-UHFFFAOYSA-N -1 0 339.366 3.762 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC(C3CCCCC3)CC2)cc1F ZINC000833309704 604814329 /nfs/dbraw/zinc/81/43/29/604814329.db2.gz ZBKVVRJHFNEQSV-UHFFFAOYSA-N -1 0 333.403 3.956 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCc2c(Cl)cccc2Cl)cc1F ZINC000833144248 604817703 /nfs/dbraw/zinc/81/77/03/604817703.db2.gz VIWYPIRVTAKJQD-UHFFFAOYSA-N -1 0 342.153 3.761 20 0 EHADRM C[C@@H](CSCc1ccccc1)C(=O)Oc1ccccc1CC(=O)[O-] ZINC000827581241 604818242 /nfs/dbraw/zinc/81/82/42/604818242.db2.gz KEQRMCJNJWUBEG-AWEZNQCLSA-N -1 0 344.432 3.789 20 0 EHADRM C[C@H](CSCc1ccccc1)C(=O)Oc1ccccc1CC(=O)[O-] ZINC000827581244 604818382 /nfs/dbraw/zinc/81/83/82/604818382.db2.gz KEQRMCJNJWUBEG-CQSZACIVSA-N -1 0 344.432 3.789 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828184213 604823757 /nfs/dbraw/zinc/82/37/57/604823757.db2.gz OMHNBRQUGUQGLW-SWLSCSKDSA-N -1 0 327.355 3.542 20 0 EHADRM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828149439 604827955 /nfs/dbraw/zinc/82/79/55/604827955.db2.gz IYFVCNRGRYNRQZ-IUODEOHRSA-N -1 0 327.355 3.542 20 0 EHADRM Cc1[nH]c(C(=O)N2CC=C(c3cccc(C)c3)CC2)c(C)c1C(=O)[O-] ZINC000833752814 604835647 /nfs/dbraw/zinc/83/56/47/604835647.db2.gz ZBFNYKYFWUTIOH-UHFFFAOYSA-N -1 0 338.407 3.568 20 0 EHADRM Cc1cc(C)cc(CCC(=O)N[C@@H](CC(=O)[O-])c2cccs2)c1 ZINC000683299842 604835952 /nfs/dbraw/zinc/83/59/52/604835952.db2.gz CTFMJCJDFMZDCE-HNNXBMFYSA-N -1 0 331.437 3.630 20 0 EHADRM C[C@@H](CSCc1ccccc1)C(=O)OCc1occc1C(=O)[O-] ZINC000827580532 604841850 /nfs/dbraw/zinc/84/18/50/604841850.db2.gz DFRVJESFXBBQEA-LBPRGKRZSA-N -1 0 334.393 3.591 20 0 EHADRM CC[C@H](CC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)C(C)C ZINC000236938908 604844843 /nfs/dbraw/zinc/84/48/43/604844843.db2.gz UNDVNFRTMJMJCM-LLVKDONJSA-N -1 0 327.808 3.814 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)Cc2ccccc21 ZINC000833560781 604861894 /nfs/dbraw/zinc/86/18/94/604861894.db2.gz VIYSJEARKAONAA-UHFFFAOYSA-N -1 0 342.370 3.849 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@H]2CCCc3sccc32)cc1 ZINC000322645444 604861860 /nfs/dbraw/zinc/86/18/60/604861860.db2.gz ZGBFWBJITMDYJY-HNNXBMFYSA-N -1 0 329.421 3.824 20 0 EHADRM CC(C)c1ccc([C@H]2CCCN2C(=O)c2ccnc(C(=O)[O-])c2)cc1 ZINC000833510394 604864504 /nfs/dbraw/zinc/86/45/04/604864504.db2.gz UMKZKWZXDHQIBK-GOSISDBHSA-N -1 0 338.407 3.881 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000013224092 604865809 /nfs/dbraw/zinc/86/58/09/604865809.db2.gz HFMMSDMMFYBSBY-CQSZACIVSA-N -1 0 338.190 3.939 20 0 EHADRM CC(C)CCSCC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000345827655 604870340 /nfs/dbraw/zinc/87/03/40/604870340.db2.gz TYFXZFMDBLEHKC-AWEZNQCLSA-N -1 0 347.839 3.500 20 0 EHADRM CC(C)OC(=O)c1ccc(CSc2ncccc2C(=O)[O-])cc1 ZINC000833502913 604873568 /nfs/dbraw/zinc/87/35/68/604873568.db2.gz SMXLLYDQGRDJEW-UHFFFAOYSA-N -1 0 331.393 3.637 20 0 EHADRM C/C(=C\C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1)c1ccccc1 ZINC000833382015 604875487 /nfs/dbraw/zinc/87/54/87/604875487.db2.gz KPGFVFMXWMHXTN-MDZDMXLPSA-N -1 0 328.393 3.761 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cc2ccccc2s1)c1ccccc1 ZINC000013427836 604881870 /nfs/dbraw/zinc/88/18/70/604881870.db2.gz HADXKJAPSUDNFY-CQSZACIVSA-N -1 0 325.389 3.847 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)/C=C/Sc1ccccc1)c1ccccc1 ZINC000833199764 604884494 /nfs/dbraw/zinc/88/44/94/604884494.db2.gz XUIFHSHZMAGJCY-LPQFERQCSA-N -1 0 327.405 3.625 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)C[C@@H]2CCc3ccccc3C2)C1 ZINC000679102957 604885501 /nfs/dbraw/zinc/88/55/01/604885501.db2.gz LQCJHDGAGIWPMT-QAPCUYQASA-N -1 0 343.467 3.531 20 0 EHADRM Cc1cccc(C2(C(=O)N3CCC[C@H](C(C)(C)C(=O)[O-])C3)CCC2)c1 ZINC000326834025 604886594 /nfs/dbraw/zinc/88/65/94/604886594.db2.gz LXMOFCMWIFYESD-KRWDZBQOSA-N -1 0 343.467 3.766 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000325396469 604888154 /nfs/dbraw/zinc/88/81/54/604888154.db2.gz XEFBLNSSMYQSIE-ZDUSSCGKSA-N -1 0 343.345 3.668 20 0 EHADRM CC1=C(C(=O)[O-])C[C@@H](CSc2nnc(-c3cc(C)cc(C)c3)o2)O1 ZINC000833582653 604888498 /nfs/dbraw/zinc/88/84/98/604888498.db2.gz XOALYKZBBNJMFM-ZDUSSCGKSA-N -1 0 346.408 3.593 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC000649364873 604889671 /nfs/dbraw/zinc/88/96/71/604889671.db2.gz UJCXKOKGXYWTJR-DLBZAZTESA-N -1 0 329.440 3.530 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc(C(F)F)cc2)C1 ZINC000833419014 604892762 /nfs/dbraw/zinc/89/27/62/604892762.db2.gz WGXWXEHHJMNWGP-CYBMUJFWSA-N -1 0 325.355 3.587 20 0 EHADRM C[C@]1(NC(=O)c2ccc(Cl)cc2Cl)CCCC[C@H]1C(=O)[O-] ZINC000262727676 604893033 /nfs/dbraw/zinc/89/30/33/604893033.db2.gz GVVYWKUFNAIJCH-NHYWBVRUSA-N -1 0 330.211 3.757 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)N2Cc3ccccc3C(F)(F)C2)c1 ZINC000833287313 604893810 /nfs/dbraw/zinc/89/38/10/604893810.db2.gz BHAKVBYBOZXIAN-UHFFFAOYSA-N -1 0 347.321 3.916 20 0 EHADRM CC(C)[C@H](C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccc(F)cc1 ZINC000833464736 604894355 /nfs/dbraw/zinc/89/43/55/604894355.db2.gz CTPJJQASVOCEBX-WBVHZDCISA-N -1 0 349.446 3.915 20 0 EHADRM C/C(=C/C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)C(C)(C)C ZINC000236673918 604902990 /nfs/dbraw/zinc/90/29/90/604902990.db2.gz VXZKERMFTJNUDC-YFHOEESVSA-N -1 0 325.792 3.734 20 0 EHADRM CCC(=O)c1cccc(NC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c1 ZINC000828580676 604906868 /nfs/dbraw/zinc/90/68/68/604906868.db2.gz PKBNCTQVCGUFRH-INIZCTEOSA-N -1 0 340.379 3.617 20 0 EHADRM Cc1cc(C)cc(CCC(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c1 ZINC000832875677 604907288 /nfs/dbraw/zinc/90/72/88/604907288.db2.gz BWPWSKACKOHJKN-QGZVFWFLSA-N -1 0 337.419 3.841 20 0 EHADRM CC(C)c1ccc(CN(C)C(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000827118633 604917356 /nfs/dbraw/zinc/91/73/56/604917356.db2.gz XSXYAVJSQLGLLE-UHFFFAOYSA-N -1 0 329.371 3.920 20 0 EHADRM Cc1ccc(C)c([C@@H]2CCCN2C(=O)C2CCC(NC(=O)[O-])CC2)c1 ZINC000830267925 604919013 /nfs/dbraw/zinc/91/90/13/604919013.db2.gz IOKKURWVHOZSDN-HTWSVDAQSA-N -1 0 344.455 3.793 20 0 EHADRM C[C@@H](c1cccs1)N(C)C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC000833549208 604923185 /nfs/dbraw/zinc/92/31/85/604923185.db2.gz CHDCTFSCMNSWMV-VIFPVBQESA-N -1 0 344.396 3.548 20 0 EHADRM COc1ccc([C@@H]2CCCN2C(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000832272913 604924727 /nfs/dbraw/zinc/92/47/27/604924727.db2.gz LSUPSXRWWAIALL-KRWDZBQOSA-N -1 0 343.354 3.510 20 0 EHADRM CCCc1ncc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)s1 ZINC000236939151 604930989 /nfs/dbraw/zinc/93/09/89/604930989.db2.gz DYSZNGNOSPYUBH-UHFFFAOYSA-N -1 0 346.452 3.603 20 0 EHADRM C[C@H](C(=O)N(CCCC(=O)[O-])Cc1ccccc1)c1cccc(F)c1 ZINC000237403042 604932741 /nfs/dbraw/zinc/93/27/41/604932741.db2.gz PXYHFXOVDFBLCW-HNNXBMFYSA-N -1 0 343.398 3.823 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1ccc2ccccc2n1 ZINC000191202649 604934499 /nfs/dbraw/zinc/93/44/99/604934499.db2.gz JPFJIHOFZGAGLZ-UHFFFAOYSA-N -1 0 348.402 3.742 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N2CCc3ccc(F)c(F)c3C2)cc1 ZINC000833290248 604949803 /nfs/dbraw/zinc/94/98/03/604949803.db2.gz QQUZBGLJULXAQU-UHFFFAOYSA-N -1 0 347.321 3.645 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N[C@@H]2CCCC(F)(F)C2)ccc1F ZINC000833282510 604954658 /nfs/dbraw/zinc/95/46/58/604954658.db2.gz IRHJDBYVFUKQOU-SECBINFHSA-N -1 0 331.294 3.615 20 0 EHADRM C[C@]1(NC(=O)c2cc(-c3ccccc3)ns2)CCCC[C@H]1C(=O)[O-] ZINC000833567898 604966036 /nfs/dbraw/zinc/96/60/36/604966036.db2.gz UJEXKBHHKIGPMU-UGSOOPFHSA-N -1 0 344.436 3.573 20 0 EHADRM C[C@]1(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CCCC[C@@H]1C(=O)[O-] ZINC000262733815 604968215 /nfs/dbraw/zinc/96/82/15/604968215.db2.gz HQIOCERHNOZJPF-BORJPKMPSA-N -1 0 335.831 3.593 20 0 EHADRM CCc1nc(C)c(C(=O)N(CC(=O)[O-])[C@H](CC)c2ccccc2)s1 ZINC000833673007 604975408 /nfs/dbraw/zinc/97/54/08/604975408.db2.gz HBBXUSIEWUPBKX-CQSZACIVSA-N -1 0 346.452 3.692 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)c2c(Cl)ccc(Cl)c2Cl)C1 ZINC000833554360 604975733 /nfs/dbraw/zinc/97/57/33/604975733.db2.gz RTEBNRSLPOQEAR-ZDUSSCGKSA-N -1 0 336.602 3.584 20 0 EHADRM Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)OC(=O)[C@H](C)NC(=O)[O-] ZINC000740092575 604982070 /nfs/dbraw/zinc/98/20/70/604982070.db2.gz MFUGGZODTGDECV-RYUDHWBXSA-N -1 0 348.424 3.687 20 0 EHADRM CC(C)CC(CC(C)C)NC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833476224 604983687 /nfs/dbraw/zinc/98/36/87/604983687.db2.gz ZZLLVCNVQOHGSI-OAHLLOKOSA-N -1 0 340.508 3.980 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)NCCCCC2CCCC2)C1 ZINC000833418217 604986719 /nfs/dbraw/zinc/98/67/19/604986719.db2.gz ZVICKRDVFSYHJP-INIZCTEOSA-N -1 0 338.492 3.879 20 0 EHADRM O=C([O-])[C@@H](Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cccnc1 ZINC000833171448 604992129 /nfs/dbraw/zinc/99/21/29/604992129.db2.gz YILLPZZVRZJEII-KRWDZBQOSA-N -1 0 340.379 3.751 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)OCc1cc(F)ccc1Br ZINC000833455522 605031381 /nfs/dbraw/zinc/03/13/81/605031381.db2.gz UNBZRZYSDAPOKL-UHFFFAOYSA-N -1 0 347.180 3.522 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000190617639 605066096 /nfs/dbraw/zinc/06/60/96/605066096.db2.gz TVXAPIUWMVPTMN-QGZVFWFLSA-N -1 0 329.440 3.946 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NCc1nc(C(F)(F)F)cs1)c1ccccc1 ZINC000833408886 605076780 /nfs/dbraw/zinc/07/67/80/605076780.db2.gz YXWDEMAWXJATSI-RNCFNFMXSA-N -1 0 344.358 3.714 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)C2CCC(C(=O)[O-])CC2)c1 ZINC000194403602 605081754 /nfs/dbraw/zinc/08/17/54/605081754.db2.gz USZOFHKRVWYTKK-UHFFFAOYSA-N -1 0 333.428 3.941 20 0 EHADRM C[C@]1(CCc2ccccc2)CCN(C(=O)C2CCC(C(=O)[O-])CC2)C1 ZINC000262731718 605089421 /nfs/dbraw/zinc/08/94/21/605089421.db2.gz AZZWMFXCIGZPQE-NGICGMGXSA-N -1 0 343.467 3.749 20 0 EHADRM CC(C)C[C@@H](C)NC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000833475181 605093267 /nfs/dbraw/zinc/09/32/67/605093267.db2.gz NCTILGBESZQTHW-CYBMUJFWSA-N -1 0 333.432 3.541 20 0 EHADRM CCOc1ccc(NC(=O)NCC(CC)(CC)C(=O)[O-])cc1Cl ZINC000833662276 605095607 /nfs/dbraw/zinc/09/56/07/605095607.db2.gz ACASNZZBKCTBOU-UHFFFAOYSA-N -1 0 342.823 3.751 20 0 EHADRM Cc1ccc(Br)cc1NC(=O)C1CCC(C(=O)[O-])CC1 ZINC000111472660 605101050 /nfs/dbraw/zinc/10/10/50/605101050.db2.gz RRQDNGRBCGXESL-UHFFFAOYSA-N -1 0 340.217 3.587 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1cncc(C(=O)[O-])c1)C1CC1 ZINC000630151740 605101550 /nfs/dbraw/zinc/10/15/50/605101550.db2.gz QHDBYEWPMBBRLT-NSHDSACASA-N -1 0 344.798 3.799 20 0 EHADRM CC[C@@H](C(=O)Nc1cc(C)c(C(=O)[O-])s1)c1ccc(OC)cc1 ZINC000833635972 605102170 /nfs/dbraw/zinc/10/21/70/605102170.db2.gz CTCOSDUBOXBYNL-CYBMUJFWSA-N -1 0 333.409 3.896 20 0 EHADRM C[C@]1(NC(=O)[C@H]2CCc3c2cccc3Cl)CCCC[C@H]1C(=O)[O-] ZINC000833568039 605112693 /nfs/dbraw/zinc/11/26/93/605112693.db2.gz XJTFXVPWSNJZNO-DEYYWGMASA-N -1 0 335.831 3.520 20 0 EHADRM CC[C@H](C)OCC(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C1CC1 ZINC000833640701 605117222 /nfs/dbraw/zinc/11/72/22/605117222.db2.gz AGRRWDQDVCWMIQ-NSHDSACASA-N -1 0 345.395 3.703 20 0 EHADRM CN(Cc1ccc(NC(=O)/C=C/c2ccc3[nH]ccc3c2)cc1)C(=O)[O-] ZINC000833695791 605127195 /nfs/dbraw/zinc/12/71/95/605127195.db2.gz XAZMWSDZOVDJCG-WEVVVXLNSA-N -1 0 349.390 3.930 20 0 EHADRM CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2ccsc2C(=O)[O-])C1 ZINC000833667120 605127619 /nfs/dbraw/zinc/12/76/19/605127619.db2.gz FPUVNPZMROGNAP-VHSXEESVSA-N -1 0 328.459 3.584 20 0 EHADRM C[C@@H]1CC[C@@H](NC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c2ccccc21 ZINC000833605525 605127737 /nfs/dbraw/zinc/12/77/37/605127737.db2.gz ZXQKDWDXVOHSQP-KBRIMQKVSA-N -1 0 342.439 3.521 20 0 EHADRM CCC(CC)n1nc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1C ZINC000683299480 605129647 /nfs/dbraw/zinc/12/96/47/605129647.db2.gz YQVXRDAHVJVMDZ-ZDUSSCGKSA-N -1 0 349.456 3.560 20 0 EHADRM C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC000833593993 605134249 /nfs/dbraw/zinc/13/42/49/605134249.db2.gz WGUHVDKMVOTIMU-JQWIXIFHSA-N -1 0 349.452 3.659 20 0 EHADRM CCc1ccc(CN(C)C(=O)Nc2ccc(OC)cc2C(=O)[O-])cc1 ZINC000833669959 605136819 /nfs/dbraw/zinc/13/68/19/605136819.db2.gz IWLJALXXPLSUOX-UHFFFAOYSA-N -1 0 342.395 3.620 20 0 EHADRM Cc1cc(Cl)ncc1NC(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000830050184 605146579 /nfs/dbraw/zinc/14/65/79/605146579.db2.gz HWAFVYKANQNJKS-CYBMUJFWSA-N -1 0 347.802 3.771 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2ccc(Cl)c3ncccc23)CC1 ZINC000833772396 605148458 /nfs/dbraw/zinc/14/84/58/605148458.db2.gz YTJUKHXBFZXQLR-UHFFFAOYSA-N -1 0 332.787 3.718 20 0 EHADRM CC(C)(C)C[C@@H](Sc1nncn1CCc1cccs1)C(=O)[O-] ZINC000833429378 605149536 /nfs/dbraw/zinc/14/95/36/605149536.db2.gz KGBJTWZECRNYMN-GFCCVEGCSA-N -1 0 339.486 3.564 20 0 EHADRM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccc2ccccc2c1 ZINC000832234586 605150765 /nfs/dbraw/zinc/15/07/65/605150765.db2.gz DOQQEDCPKVLMJM-AYHJJNSGSA-N -1 0 338.407 3.633 20 0 EHADRM Cc1nc(C2CCCCC2)sc1C(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000833755408 605151929 /nfs/dbraw/zinc/15/19/29/605151929.db2.gz LWZKPINJUAJTCI-CYBMUJFWSA-N -1 0 338.473 3.728 20 0 EHADRM CCC(CC)n1nc(C(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])cc1C ZINC000262998909 605152596 /nfs/dbraw/zinc/15/25/96/605152596.db2.gz UPYGRCLITJZXET-HZPDHXFCSA-N -1 0 349.475 3.706 20 0 EHADRM CCC(CC)n1nc(C(=O)OCc2cc(C(=O)[O-])oc2C)cc1C ZINC000833641590 605165643 /nfs/dbraw/zinc/16/56/43/605165643.db2.gz HSTQVKUSLMHOFO-UHFFFAOYSA-N -1 0 334.372 3.509 20 0 EHADRM CC(C(=O)Nc1cncc(C(=O)[O-])c1)(c1ccccc1)c1ccccc1 ZINC000833410942 605168240 /nfs/dbraw/zinc/16/82/40/605168240.db2.gz JJPBLCBBQYHWGJ-UHFFFAOYSA-N -1 0 346.386 3.725 20 0 EHADRM CC(C)[C@H](SCc1ccccc1)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000833471497 605168405 /nfs/dbraw/zinc/16/84/05/605168405.db2.gz NZSYXIWDINEISE-INIZCTEOSA-N -1 0 344.436 3.676 20 0 EHADRM Cc1nc(C2CCCCC2)sc1C(=O)NC(C)(C)CCC(=O)[O-] ZINC000833755737 605174024 /nfs/dbraw/zinc/17/40/24/605174024.db2.gz ZKLXNISIZYLVEY-UHFFFAOYSA-N -1 0 338.473 3.872 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)Nc1cncc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000833422192 605176629 /nfs/dbraw/zinc/17/66/29/605176629.db2.gz AXQXKDSUWSIQGT-HNNXBMFYSA-N -1 0 345.374 3.828 20 0 EHADRM CC(C)[C@H](c1ccccc1)N(C)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000833472944 605179617 /nfs/dbraw/zinc/17/96/17/605179617.db2.gz WZAADSBPCUQYSD-MRXNPFEDSA-N -1 0 327.384 3.641 20 0 EHADRM C[C@H](CNc1cncc(C(=O)[O-])n1)c1c(Cl)cccc1Cl ZINC000833519856 605181718 /nfs/dbraw/zinc/18/17/18/605181718.db2.gz XMBSVGIZOMODOU-MRVPVSSYSA-N -1 0 326.183 3.697 20 0 EHADRM CC(C)(C)SCCCC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000833446741 605189978 /nfs/dbraw/zinc/18/99/78/605189978.db2.gz GJDGCORGPXPOOX-AWEZNQCLSA-N -1 0 341.448 3.770 20 0 EHADRM CC(C)(CCC(=O)N[C@@H](C(=O)[O-])c1cccs1)c1ccccc1 ZINC000448995966 605190894 /nfs/dbraw/zinc/19/08/94/605190894.db2.gz QZMFSGPISCIQDP-MRXNPFEDSA-N -1 0 331.437 3.748 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)c1ccc2c(c1)N=S=N2 ZINC000262962129 605198291 /nfs/dbraw/zinc/19/82/91/605198291.db2.gz OGTQQGCSBFZSHL-RYUDHWBXSA-N -1 0 333.413 3.566 20 0 EHADRM CC[C@H](C)Oc1cc(C(=O)Nc2cccc(C(=O)[O-])c2C)ccn1 ZINC000683303737 605202867 /nfs/dbraw/zinc/20/28/67/605202867.db2.gz IUJZUCKEEYOMGX-NSHDSACASA-N -1 0 328.368 3.518 20 0 EHADRM CC(C)C[C@@H](OC(=O)C[C@@H](C)C(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000833480931 605229636 /nfs/dbraw/zinc/22/96/36/605229636.db2.gz RTKQMHIKZJUCCZ-BXUZGUMPSA-N -1 0 340.803 3.591 20 0 EHADRM CC1=C(C(=O)[O-])C[C@@H](CSCc2cccc(OC(F)F)c2)O1 ZINC000833579366 605236779 /nfs/dbraw/zinc/23/67/79/605236779.db2.gz BKDJLGZIWGUASE-LBPRGKRZSA-N -1 0 330.352 3.669 20 0 EHADRM CCOc1cc2c(cc1NCc1ccc(NC(=O)[O-])nc1)O[C@H](C)C2 ZINC000827423515 605242150 /nfs/dbraw/zinc/24/21/50/605242150.db2.gz QEQHYWQWAOGBTB-LLVKDONJSA-N -1 0 343.383 3.506 20 0 EHADRM Cc1ccc(NC[C@H]2CCCN(C(=O)[O-])C2)cc1NC(=O)C(C)(C)C ZINC000830396012 605255663 /nfs/dbraw/zinc/25/56/63/605255663.db2.gz RKJMSAYIIZAOGC-CQSZACIVSA-N -1 0 347.459 3.782 20 0 EHADRM CCc1ccc(C(C)(C)NC(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC000262091378 605255972 /nfs/dbraw/zinc/25/59/72/605255972.db2.gz GKNNKEBMRQPEJN-UHFFFAOYSA-N -1 0 325.408 3.541 20 0 EHADRM CN(c1ccccc1NC(=O)CC(C)(C)CC(=O)[O-])C1CCCC1 ZINC000833698647 605264658 /nfs/dbraw/zinc/26/46/58/605264658.db2.gz YUQKKZYSOVGETE-UHFFFAOYSA-N -1 0 332.444 3.895 20 0 EHADRM CCc1[nH]c(C(=O)Nc2cc(SC)ccc2C)c(C)c1C(=O)[O-] ZINC000833669045 605276253 /nfs/dbraw/zinc/27/62/53/605276253.db2.gz UDNJSQOCVQRVDE-UHFFFAOYSA-N -1 0 332.425 3.866 20 0 EHADRM C[C@@H](c1ccccn1)N(C)C(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833548883 605281842 /nfs/dbraw/zinc/28/18/42/605281842.db2.gz HTQJTQIJSAGHMU-JTQLQIEISA-N -1 0 332.335 3.536 20 0 EHADRM Cc1sc(NC(=O)c2cc(-c3ccccc3)on2)c(C(=O)[O-])c1C ZINC000324091931 605299906 /nfs/dbraw/zinc/29/99/06/605299906.db2.gz JOJWRAUHYUAPSS-UHFFFAOYSA-N -1 0 342.376 3.970 20 0 EHADRM CC(C)CCO[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000431873677 605302699 /nfs/dbraw/zinc/30/26/99/605302699.db2.gz AGJJURVANNXEKP-RDTXWAMCSA-N -1 0 343.423 3.533 20 0 EHADRM C[C@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1)n1cccc1 ZINC000580509603 605303607 /nfs/dbraw/zinc/30/36/07/605303607.db2.gz BXOZAVVATBJNEF-AUUYWEPGSA-N -1 0 336.391 3.535 20 0 EHADRM C[C@H](Cc1noc([C@H]2C[C@H]2c2cccc(Cl)c2)n1)N(C)C(=O)[O-] ZINC000825042321 605320154 /nfs/dbraw/zinc/32/01/54/605320154.db2.gz UQKAJPHOPFURDJ-ICCXJUOJSA-N -1 0 335.791 3.535 20 0 EHADRM C[C@@H]1CCC[C@@H]1C(=O)Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1 ZINC000833608683 605321509 /nfs/dbraw/zinc/32/15/09/605321509.db2.gz OMRGYZCUYCLBEH-MFKMUULPSA-N -1 0 330.409 3.883 20 0 EHADRM Cc1ccc(SCc2nc(C[C@H](C)N(C)C(=O)[O-])no2)c(C)c1 ZINC000830426803 605321722 /nfs/dbraw/zinc/32/17/22/605321722.db2.gz BKFCWVMKWTVVNM-LBPRGKRZSA-N -1 0 335.429 3.520 20 0 EHADRM CC(=O)Nc1ccc(N[C@@H](C(=O)[O-])c2c(F)cccc2Cl)cc1 ZINC000833399657 605354692 /nfs/dbraw/zinc/35/46/92/605354692.db2.gz KYCNXXQMDBXRIO-OAHLLOKOSA-N -1 0 336.750 3.675 20 0 EHADRM CCc1nc([C@@H](C)N[C@@H](C(=O)[O-])c2c(F)cccc2Cl)cs1 ZINC000833673226 605359318 /nfs/dbraw/zinc/35/93/18/605359318.db2.gz IKIQCTTUDJISSP-XLKFXECMSA-N -1 0 342.823 3.975 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)[C@@H]2CCCc3sccc32)cc1 ZINC000832841847 605377476 /nfs/dbraw/zinc/37/74/76/605377476.db2.gz PLJOAUPGFLORCB-OAHLLOKOSA-N -1 0 344.436 3.617 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000833481085 605411348 /nfs/dbraw/zinc/41/13/48/605411348.db2.gz UBHOPCHHACWFGB-DLBZAZTESA-N -1 0 348.418 3.560 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000833384285 605417615 /nfs/dbraw/zinc/41/76/15/605417615.db2.gz PDXYFIFJZFCXNY-UKTHLTGXSA-N -1 0 327.380 3.657 20 0 EHADRM O=C([O-])Nc1cccc(COC(=O)C=Cc2ccc(Cl)nc2)c1 ZINC000834269935 605429056 /nfs/dbraw/zinc/42/90/56/605429056.db2.gz XSBKXRJPBXACAZ-ALCCZGGFSA-N -1 0 332.743 3.582 20 0 EHADRM CCc1[nH]c(C(=O)N2CC[C@@H](c3ccc(C)cc3)C2)c(C)c1C(=O)[O-] ZINC000833668668 605432581 /nfs/dbraw/zinc/43/25/81/605432581.db2.gz WUWWWVZGDDRGPL-OAHLLOKOSA-N -1 0 340.423 3.522 20 0 EHADRM CC(C)c1ccsc1C(=O)N(C)c1ccc(OCC(=O)[O-])cc1 ZINC000455885957 605459987 /nfs/dbraw/zinc/45/99/87/605459987.db2.gz HUUCLBLDEAZVHA-UHFFFAOYSA-N -1 0 333.409 3.612 20 0 EHADRM C/C(=C\CN[C@H](c1ccccc1OC(F)F)C(F)(F)F)C(=O)[O-] ZINC000833382038 605473598 /nfs/dbraw/zinc/47/35/98/605473598.db2.gz FSZKFWZUPSQJHF-LXSSAFMLSA-N -1 0 339.260 3.512 20 0 EHADRM C[C@H](NC(=O)C[C@H](NC(=O)[O-])c1ccccc1)c1ccc(F)c(F)c1 ZINC000825102441 605567473 /nfs/dbraw/zinc/56/74/73/605567473.db2.gz VNEXSNHEIGLWNZ-ZBEGNZNMSA-N -1 0 348.349 3.541 20 0 EHADRM CCCN(C(=O)N[C@H](C)c1ccc(C)cc1)C1CCN(C(=O)[O-])CC1 ZINC000826865961 605570718 /nfs/dbraw/zinc/57/07/18/605570718.db2.gz CKIKRMJLACGJKR-OAHLLOKOSA-N -1 0 347.459 3.620 20 0 EHADRM O=C([O-])N[C@@H](CC(=O)N1CCC[C@@H]1c1ccccc1)c1ccccc1 ZINC000832095022 605574722 /nfs/dbraw/zinc/57/47/22/605574722.db2.gz YHWWTUAUMYWXHL-ZWKOTPCHSA-N -1 0 338.407 3.749 20 0 EHADRM O=C([O-])N1CCc2cccc(CN3CCCC[C@@H]3c3nccs3)c21 ZINC000834123916 605580513 /nfs/dbraw/zinc/58/05/13/605580513.db2.gz XGRMMJWINKWPQV-OAHLLOKOSA-N -1 0 343.452 3.911 20 0 EHADRM C[C@@H](c1cccs1)N(C)C(=O)C[C@H](NC(=O)[O-])c1ccccc1 ZINC000825644348 605590024 /nfs/dbraw/zinc/59/00/24/605590024.db2.gz BPZFIRMLTMTFKF-JSGCOSHPSA-N -1 0 332.425 3.667 20 0 EHADRM O=C([O-])Nc1cccc(CSc2nccc(C(F)(F)F)n2)c1 ZINC000834269614 605639036 /nfs/dbraw/zinc/63/90/36/605639036.db2.gz JLHXBGZMGNOVCX-UHFFFAOYSA-N -1 0 329.303 3.878 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)NCCCc2cccs2)c1 ZINC000834262874 605658221 /nfs/dbraw/zinc/65/82/21/605658221.db2.gz YEEBLGUEWQFQJM-UHFFFAOYSA-N -1 0 337.376 3.731 20 0 EHADRM Cc1nc(C(C)C)sc1[C@@H](C)OC(=O)CC(C)(C)NC(=O)[O-] ZINC000833912818 605667214 /nfs/dbraw/zinc/66/72/14/605667214.db2.gz POFQNSMHSGAWAF-SNVBAGLBSA-N -1 0 328.434 3.615 20 0 EHADRM Cc1cc(C(=O)N[C@H]2CCc3ccc(F)cc32)ccc1NC(=O)[O-] ZINC000829941819 605680395 /nfs/dbraw/zinc/68/03/95/605680395.db2.gz ZJSPNLPJJGXYOU-INIZCTEOSA-N -1 0 328.343 3.641 20 0 EHADRM Cc1cc(C(=O)N2CC[C@H](c3ccccc3F)C2)ccc1NC(=O)[O-] ZINC000829925095 605683069 /nfs/dbraw/zinc/68/30/69/605683069.db2.gz OEXPZHDSCWKTQJ-AWEZNQCLSA-N -1 0 342.370 3.854 20 0 EHADRM COc1cc(Cl)ccc1CNC(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000829134732 605683183 /nfs/dbraw/zinc/68/31/83/605683183.db2.gz GGTPFPNODJMXDS-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)N2CCCc3ccc(F)c(F)c32)cc1 ZINC000834256543 605687398 /nfs/dbraw/zinc/68/73/98/605687398.db2.gz RSAQQMQHLFFZTR-UHFFFAOYSA-N -1 0 346.333 3.577 20 0 EHADRM CC[C@H]1CN(C(=O)c2ccc(NC(=O)[O-])c(C)c2)c2ccccc2O1 ZINC000826690173 605701113 /nfs/dbraw/zinc/70/11/13/605701113.db2.gz JTHRYGLUZGHCFZ-AWEZNQCLSA-N -1 0 340.379 3.903 20 0 EHADRM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000833607076 605709506 /nfs/dbraw/zinc/70/95/06/605709506.db2.gz YWGUNGDUCMQSKN-ZJUUUORDSA-N -1 0 345.321 3.971 20 0 EHADRM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000833606819 605709955 /nfs/dbraw/zinc/70/99/55/605709955.db2.gz WKICYDWILKMNDU-DTWKUNHWSA-N -1 0 348.296 3.719 20 0 EHADRM O=C([O-])N[C@H]1CC[C@H](OC(=O)c2ccc3ccc(Cl)cc3n2)CC1 ZINC000834253470 605741974 /nfs/dbraw/zinc/74/19/74/605741974.db2.gz RHGLOXAGHHMKNU-JOCQHMNTSA-N -1 0 348.786 3.624 20 0 EHADRM C[C@H](SCc1cc(C(=O)[O-])ccc1Cl)C(=O)N1CCCCC1 ZINC000833541517 605788078 /nfs/dbraw/zinc/78/80/78/605788078.db2.gz BPGKHZOPBNKKSH-NSHDSACASA-N -1 0 341.860 3.672 20 0 EHADRM COc1ccc2sc(C(=O)N3CCCCC[C@H]3C(=O)[O-])c(C)c2c1 ZINC000833735347 605794551 /nfs/dbraw/zinc/79/45/51/605794551.db2.gz WWIRQHNMVUMHNL-AWEZNQCLSA-N -1 0 347.436 3.688 20 0 EHADRM O=C([O-])N[C@@H]1C[C@H](NCc2cc(-c3ccccc3)on2)c2ccccc21 ZINC000834159845 605798500 /nfs/dbraw/zinc/79/85/00/605798500.db2.gz YTXKNRDBKOGLTM-ZWKOTPCHSA-N -1 0 349.390 3.885 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)C2(Cc3ccccc3)CCC2)c(F)c1 ZINC000833776122 605800175 /nfs/dbraw/zinc/80/01/75/605800175.db2.gz VVCAXVKSHSEJEE-UHFFFAOYSA-N -1 0 342.366 3.771 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)/C=C\c2ccc(Cl)s2)c(F)c1 ZINC000833776577 605800273 /nfs/dbraw/zinc/80/02/73/605800273.db2.gz LTZYKNYFIRUZOC-UTCJRWHESA-N -1 0 340.759 3.787 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N2CCCc3cc(F)c(F)cc32)c1 ZINC000834265028 605811175 /nfs/dbraw/zinc/81/11/75/605811175.db2.gz KILSAHRODWWXNF-UHFFFAOYSA-N -1 0 346.333 3.577 20 0 EHADRM CC(C)(C)SCCCC(=O)OCc1cc(C(=O)[O-])ccc1F ZINC000833446816 605819975 /nfs/dbraw/zinc/81/99/75/605819975.db2.gz KJIPEZGXHDRHSY-UHFFFAOYSA-N -1 0 328.405 3.879 20 0 EHADRM CCCN(C(=O)Nc1ccc(C2CC2)cc1)C1CCN(C(=O)[O-])CC1 ZINC000833853803 605822408 /nfs/dbraw/zinc/82/24/08/605822408.db2.gz NAZWHCGPRNJABI-UHFFFAOYSA-N -1 0 345.443 3.950 20 0 EHADRM Cc1cc(C(=O)O[C@@H](C)C(=O)c2ccccc2)ccc1NC(=O)[O-] ZINC000829971711 605829500 /nfs/dbraw/zinc/82/95/00/605829500.db2.gz QEROLDCSJYKZDR-LBPRGKRZSA-N -1 0 327.336 3.513 20 0 EHADRM CN(Cc1cc(C(=O)[O-])ccc1Cl)C[C@H]1OCCc2ccccc21 ZINC000833694800 605832691 /nfs/dbraw/zinc/83/26/91/605832691.db2.gz PZINQQFXPBJMOT-GOSISDBHSA-N -1 0 345.826 3.784 20 0 EHADRM C[C@@H](OC(=O)c1cc(C(=O)[O-])no1)c1c(Cl)ccc(F)c1Cl ZINC000833532431 605900551 /nfs/dbraw/zinc/90/05/51/605900551.db2.gz QPTFXQGYICSSFF-RXMQYKEDSA-N -1 0 348.113 3.737 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc2sc(C)nc2c1)C(=O)[O-] ZINC000818623172 605911231 /nfs/dbraw/zinc/91/12/31/605911231.db2.gz REZRWVLKJRMDPY-UHFFFAOYSA-N -1 0 335.429 3.617 20 0 EHADRM Cc1nc([C@@H](C)N2CC[C@H](NC(=O)[O-])C2)oc1-c1ccc(Cl)cc1 ZINC000830709840 605917247 /nfs/dbraw/zinc/91/72/47/605917247.db2.gz UDBZSHPNFYNJDX-RISCZKNCSA-N -1 0 349.818 3.706 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000833906245 606005245 /nfs/dbraw/zinc/00/52/45/606005245.db2.gz KWDMIUUPGHZXGO-UHFFFAOYSA-N -1 0 328.155 3.972 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCc1nc(C2CC2)cs1 ZINC000833906808 606012331 /nfs/dbraw/zinc/01/23/31/606012331.db2.gz MRUSJESSTIBVCS-UHFFFAOYSA-N -1 0 346.412 3.741 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCc1cc2ccccc2[nH]1 ZINC000833906868 606012451 /nfs/dbraw/zinc/01/24/51/606012451.db2.gz PHAKGGUPXZRKNL-UHFFFAOYSA-N -1 0 338.367 3.888 20 0 EHADRM O=C([O-])N1CCC(CCC(=O)N2CCC[C@H]2c2ccsc2)CC1 ZINC000834073366 606012810 /nfs/dbraw/zinc/01/28/10/606012810.db2.gz CTCJPEYAVRIQFM-HNNXBMFYSA-N -1 0 336.457 3.582 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)c1ccc(NC(C)C)nc1 ZINC000833905776 606013361 /nfs/dbraw/zinc/01/33/61/606013361.db2.gz BSRTZESTRPUVTC-UHFFFAOYSA-N -1 0 328.372 3.553 20 0 EHADRM CCCN(C(=O)c1cnc(NC(=O)[O-])cn1)[C@H](CC)c1ccccc1 ZINC000833854460 606016274 /nfs/dbraw/zinc/01/62/74/606016274.db2.gz URSSQIQHAHSFJX-OAHLLOKOSA-N -1 0 342.399 3.570 20 0 EHADRM O=C([O-])Nc1ccc(CNc2ccc(F)c(Br)c2)cn1 ZINC000834260694 606020379 /nfs/dbraw/zinc/02/03/79/606020379.db2.gz WMADYJGRBDCGBQ-UHFFFAOYSA-N -1 0 340.152 3.685 20 0 EHADRM O=C([O-])Nc1ccc(OC[C@@H](O)c2ccccc2C(F)(F)F)cc1 ZINC000834261990 606039108 /nfs/dbraw/zinc/03/91/08/606039108.db2.gz KAVODGPKTFTNCW-CQSZACIVSA-N -1 0 341.285 3.908 20 0 EHADRM O=C([O-])Nc1ccc(OC[C@@H](O)c2cccc(C(F)(F)F)c2)cc1 ZINC000834263149 606039421 /nfs/dbraw/zinc/03/94/21/606039421.db2.gz XGVDPCLNEUSPHP-CQSZACIVSA-N -1 0 341.285 3.908 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)Nc1cccc(OC(F)F)c1 ZINC000834272983 606048684 /nfs/dbraw/zinc/04/86/84/606048684.db2.gz IQRQXXHRAUFDBQ-UHFFFAOYSA-N -1 0 336.294 3.559 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N1CCC[C@H]1C1CCCCC1 ZINC000834271255 606050281 /nfs/dbraw/zinc/05/02/81/606050281.db2.gz RJHSUARSCZRORK-KRWDZBQOSA-N -1 0 330.428 3.890 20 0 EHADRM Cc1cccc(CN(Cc2ccco2)Cc2ccc(-c3nnn[n-]3)o2)c1 ZINC000826298578 608527513 /nfs/dbraw/zinc/52/75/13/608527513.db2.gz ZRWOWIMNALWQPZ-UHFFFAOYSA-N -1 0 349.394 3.564 20 0 EHADRM CSc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)o1 ZINC000191491727 939038504 /nfs/dbraw/zinc/03/85/04/939038504.db2.gz JIIHXKFGOPFYFT-MRXNPFEDSA-N -1 0 341.388 3.710 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc2[nH]ccc2c1)c1ccc2ccccc2c1 ZINC000191487222 939038592 /nfs/dbraw/zinc/03/85/92/939038592.db2.gz ISPFKFQPLRSMSG-IBGZPJMESA-N -1 0 344.370 3.877 20 0 EHADRM CC(C)c1cccc(O[C@H](C)C(=O)N[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000236804195 939044837 /nfs/dbraw/zinc/04/48/37/939044837.db2.gz GXTMCADQVLIFEQ-KDOFPFPSSA-N -1 0 341.407 3.519 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)CC1 ZINC000761584527 939066795 /nfs/dbraw/zinc/06/67/95/939066795.db2.gz LQRGGZOOPYCCQL-MKBNYLNASA-N -1 0 339.382 3.669 20 0 EHADRM C/C(=C/c1ccccc1Cl)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000761592339 939067893 /nfs/dbraw/zinc/06/78/93/939067893.db2.gz DSRFQZXGWPALBX-SYGIOELKSA-N -1 0 343.810 3.860 20 0 EHADRM O=C([O-])C1(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)CCC1 ZINC000761833743 939070126 /nfs/dbraw/zinc/07/01/26/939070126.db2.gz HOJXDCOUYRGZQV-UHFFFAOYSA-N -1 0 346.386 3.639 20 0 EHADRM CC[C@@](NC(=O)/C=C(/C)c1cccc(F)c1)(C(=O)[O-])c1ccccc1 ZINC000766970978 939085086 /nfs/dbraw/zinc/08/50/86/939085086.db2.gz JLJQUHRNTIHLRP-WXFJXSOESA-N -1 0 341.382 3.735 20 0 EHADRM CSc1ccc(C)c(C(=O)N[C@H](C(=O)[O-])c2cccc(C)c2C)c1 ZINC000263187342 939107794 /nfs/dbraw/zinc/10/77/94/939107794.db2.gz XKBOMQXCLOIVJV-KRWDZBQOSA-N -1 0 343.448 3.889 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000324684195 939126258 /nfs/dbraw/zinc/12/62/58/939126258.db2.gz QCLVDOAQSIZAGK-MRXNPFEDSA-N -1 0 326.396 3.932 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1[nH]c2ccc(F)cc2c1Cl)c1ccccc1 ZINC000342374330 939127683 /nfs/dbraw/zinc/12/76/83/939127683.db2.gz NKRLTXZRIFQERA-AWEZNQCLSA-N -1 0 346.745 3.516 20 0 EHADRM CCC1CCC(NC(=O)Nc2ccc3c(c2)CCCO3)(C(=O)[O-])CC1 ZINC000383621433 939131951 /nfs/dbraw/zinc/13/19/51/939131951.db2.gz CEAFUCGBUSONMG-UHFFFAOYSA-N -1 0 346.427 3.557 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CCC[C@H](F)C1)c1ccc(Cl)cc1Cl ZINC000425241898 939141802 /nfs/dbraw/zinc/14/18/02/939141802.db2.gz NYXHCJAIZPQGFA-DVYJOKAKSA-N -1 0 348.201 3.764 20 0 EHADRM CSc1cccc(NC(=O)N[C@H](C(=O)[O-])C2CCCCC2)c1C ZINC000780713910 939147790 /nfs/dbraw/zinc/14/77/90/939147790.db2.gz KZJQXZAXTKMLSF-HNNXBMFYSA-N -1 0 336.457 3.872 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1cccc(Cl)c1)c1cc(F)ccc1F ZINC000788315625 939148254 /nfs/dbraw/zinc/14/82/54/939148254.db2.gz YACNNDPLFROEDG-ZDUSSCGKSA-N -1 0 340.713 3.566 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)c1C ZINC000797725169 939188305 /nfs/dbraw/zinc/18/83/05/939188305.db2.gz VUACOVVKPGBOQG-FOIQADDNSA-N -1 0 340.423 3.664 20 0 EHADRM CC[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000447897788 939204416 /nfs/dbraw/zinc/20/44/16/939204416.db2.gz PCTXFHALWKATOE-CZUORRHYSA-N -1 0 349.789 3.915 20 0 EHADRM Cc1cc(C)cc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)c1 ZINC000514706891 939238002 /nfs/dbraw/zinc/23/80/02/939238002.db2.gz RRLFCPRXIQECHL-QGZVFWFLSA-N -1 0 326.396 3.868 20 0 EHADRM CC(C)(C)OC(=O)N[C@@](C)(C(=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000863973241 939246025 /nfs/dbraw/zinc/24/60/25/939246025.db2.gz HQPRVEVKIBDECF-LJQANCHMSA-N -1 0 342.395 3.573 20 0 EHADRM Cc1ccc(NC(=O)NC2(C(=O)[O-])CCC2)cc1-c1ccsc1 ZINC000871614893 939260025 /nfs/dbraw/zinc/26/00/25/939260025.db2.gz KZGYROJLEWSGIB-UHFFFAOYSA-N -1 0 330.409 3.852 20 0 EHADRM CCCOc1ccc(NC(=O)N[C@H](C(=O)[O-])c2cccs2)c(C)c1 ZINC000900330769 939275168 /nfs/dbraw/zinc/27/51/68/939275168.db2.gz GIFHGFFOGZFJHW-HNNXBMFYSA-N -1 0 348.424 3.793 20 0 EHADRM CC[C@@](NC(=O)Nc1cccc(OC)c1C)(C(=O)[O-])c1ccccc1 ZINC000900330826 939275175 /nfs/dbraw/zinc/27/51/75/939275175.db2.gz WDEFQHKZIMPFJZ-IBGZPJMESA-N -1 0 342.395 3.515 20 0 EHADRM COc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)c1C ZINC000900330055 939275187 /nfs/dbraw/zinc/27/51/87/939275187.db2.gz GFDQZSAOHKSARO-QGZVFWFLSA-N -1 0 342.395 3.568 20 0 EHADRM CCN(C(=O)N[C@H](C(=O)[O-])c1c(Cl)cccc1Cl)C(C)C ZINC000548266801 939296077 /nfs/dbraw/zinc/29/60/77/939296077.db2.gz HDGWBUIEXPSONO-LBPRGKRZSA-N -1 0 333.215 3.559 20 0 EHADRM CCc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1CC ZINC000563928632 939342411 /nfs/dbraw/zinc/34/24/11/939342411.db2.gz ORLWUFBGBSYLOR-QGZVFWFLSA-N -1 0 326.396 3.759 20 0 EHADRM CSCc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2cccs2)cc1 ZINC000566893084 939357837 /nfs/dbraw/zinc/35/78/37/939357837.db2.gz DQNNBFLZLQDHAS-CYBMUJFWSA-N -1 0 336.438 3.559 20 0 EHADRM O=C([O-])[C@@H](NC(=O)NCCc1cccc2ccccc21)c1ccccc1 ZINC000573991704 939722934 /nfs/dbraw/zinc/72/29/34/939722934.db2.gz KYHBTCCIVKRFBV-IBGZPJMESA-N -1 0 348.402 3.507 20 0 EHADRM C[C@H](NC(=O)NC1(C(=O)[O-])CCCC1)c1cccc(Cl)c1Cl ZINC000574068130 939724002 /nfs/dbraw/zinc/72/40/02/939724002.db2.gz GQKYNZSOBLHHQD-VIFPVBQESA-N -1 0 345.226 3.751 20 0 EHADRM Cc1cc(F)cc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)c1 ZINC000575821549 939734690 /nfs/dbraw/zinc/73/46/90/939734690.db2.gz RUTNTZTUWZYONE-OAHLLOKOSA-N -1 0 334.322 3.529 20 0 EHADRM Cc1ccc(F)c(NC(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2C)c1 ZINC000576927522 939743070 /nfs/dbraw/zinc/74/30/70/939743070.db2.gz GJORSRIEYZZAGL-MRXNPFEDSA-N -1 0 330.359 3.698 20 0 EHADRM Cc1ccc(F)c(NC(=O)N[C@H](C(=O)[O-])c2ccc(C)c(C)c2)c1 ZINC000579428421 939762296 /nfs/dbraw/zinc/76/22/96/939762296.db2.gz AOPWKNOEMPTRPI-INIZCTEOSA-N -1 0 330.359 3.698 20 0 EHADRM CC[C@](NC(=O)Nc1ccc(SC)cc1)(C(=O)[O-])c1ccccc1 ZINC000580930478 939774915 /nfs/dbraw/zinc/77/49/15/939774915.db2.gz VNYVAAFJLGXZNV-GOSISDBHSA-N -1 0 344.436 3.920 20 0 EHADRM Cc1cc(F)cc(NC(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)c1 ZINC000582100301 939782391 /nfs/dbraw/zinc/78/23/91/939782391.db2.gz BWPRUZGNTVEARR-INIZCTEOSA-N -1 0 330.359 3.698 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cscc1C(F)F)C1CCCCCC1 ZINC000911782812 939782535 /nfs/dbraw/zinc/78/25/35/939782535.db2.gz XOROVYVDLYXWTC-GFCCVEGCSA-N -1 0 331.384 3.839 20 0 EHADRM CC[C@@](NC(=O)c1ccsc1C(F)F)(C(=O)[O-])c1ccccc1 ZINC000923053834 939783789 /nfs/dbraw/zinc/78/37/89/939783789.db2.gz CTGFPGBDUUBUKT-INIZCTEOSA-N -1 0 339.363 3.806 20 0 EHADRM CC(C)c1nc2cc(NC(=O)NC3(C(=O)[O-])CCCCC3)ccc2o1 ZINC000582412378 939784829 /nfs/dbraw/zinc/78/48/29/939784829.db2.gz KCGCFIMUISMTTF-UHFFFAOYSA-N -1 0 345.399 3.860 20 0 EHADRM Cc1cc(C)cc([C@H](NC(=O)Nc2cccc(Cl)c2)C(=O)[O-])c1 ZINC000583730397 939792636 /nfs/dbraw/zinc/79/26/36/939792636.db2.gz SMUUDZOICJNGNM-HNNXBMFYSA-N -1 0 332.787 3.904 20 0 EHADRM CCC1CCC(NC(=O)c2oc(C(F)F)cc2C)(C(=O)[O-])CC1 ZINC000630143403 939812196 /nfs/dbraw/zinc/81/21/96/939812196.db2.gz AUFRZSCQNUIIPZ-UHFFFAOYSA-N -1 0 329.343 3.679 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1ccc(OC2CCC2)c(F)c1)C1CCCC1 ZINC000663094613 939854367 /nfs/dbraw/zinc/85/43/67/939854367.db2.gz DFLQHSPHMDLFQZ-INIZCTEOSA-N -1 0 335.375 3.587 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1)C1CC1 ZINC000656849532 939847288 /nfs/dbraw/zinc/84/72/88/939847288.db2.gz LKPRCVZBCJRZSD-OAHLLOKOSA-N -1 0 337.803 3.711 20 0 EHADRM COc1cccc([C@H](NC(=O)c2ccc(C3CCC3)cc2)C(=O)[O-])c1 ZINC000659173510 939848857 /nfs/dbraw/zinc/84/88/57/939848857.db2.gz CNTDVSKDLAWBFE-SFHVURJKSA-N -1 0 339.391 3.518 20 0 EHADRM CC[C@@H](CC(=O)N[C@H](C(=O)[O-])c1cccc(OC)c1)c1ccccc1 ZINC000659175256 939848974 /nfs/dbraw/zinc/84/89/74/939848974.db2.gz MDSZEOAWWYHGKS-LIRRHRJNSA-N -1 0 341.407 3.521 20 0 EHADRM O=C([O-])[C@@H](C(=O)N[C@H]1CCc2ccc(-c3ccccc3)cc21)C1CC1 ZINC000663051892 939851658 /nfs/dbraw/zinc/85/16/58/939851658.db2.gz GWPBHOAQPAWLFN-RBUKOAKNSA-N -1 0 335.403 3.568 20 0 EHADRM Cc1cc(OCc2ccccc2)ccc1NC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC000663074086 939852774 /nfs/dbraw/zinc/85/27/74/939852774.db2.gz IHNFAATYEDEUJL-SFHVURJKSA-N -1 0 339.391 3.623 20 0 EHADRM C[C@](NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl)(C(=O)[O-])c1ccccc1 ZINC000675982826 939866189 /nfs/dbraw/zinc/86/61/89/939866189.db2.gz RKZWNSTVTOWABM-SPYBWZPUSA-N -1 0 343.810 3.560 20 0 EHADRM O=C([O-])[C@]1(NC(=O)C[C@@H]2CCCc3ccccc32)CCc2ccccc21 ZINC000675990751 939867462 /nfs/dbraw/zinc/86/74/62/939867462.db2.gz KJCHNNQYGDQDRV-JTSKRJEESA-N -1 0 349.430 3.539 20 0 EHADRM CC(C)c1cccc(NC(=O)NC2(C(=O)[O-])Cc3ccccc3C2)c1 ZINC000679539079 939869729 /nfs/dbraw/zinc/86/97/29/939869729.db2.gz UMWLNLDYYGZNMB-UHFFFAOYSA-N -1 0 338.407 3.554 20 0 EHADRM Cc1cc(C)cc([C@H](C)NC(=O)N[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000684730210 939873855 /nfs/dbraw/zinc/87/38/55/939873855.db2.gz ANTAQQPZADGSDM-GUYCJALGSA-N -1 0 344.386 3.629 20 0 EHADRM CN(Cc1ccccc1Cl)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000321454563 970773466 /nfs/dbraw/zinc/77/34/66/970773466.db2.gz HYYKZKIZGFOSON-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM CCC(CC)CN(CC)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000321748221 970803372 /nfs/dbraw/zinc/80/33/72/970803372.db2.gz OILXUMTVEJCURB-UHFFFAOYSA-N -1 0 328.359 3.953 20 0 EHADRM COc1ccc(NC(=O)CCc2ccccc2Cl)c(C(=O)[O-])c1 ZINC000321789005 970806951 /nfs/dbraw/zinc/80/69/51/970806951.db2.gz UOWGSULCXNCFII-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM Cc1cc(NC(=O)N(C)[C@@H](C)Cc2cccs2)ccc1C(=O)[O-] ZINC000321989286 970834002 /nfs/dbraw/zinc/83/40/02/970834002.db2.gz PZGLZAQELJHCHV-LBPRGKRZSA-N -1 0 332.425 3.850 20 0 EHADRM Cc1nc(C2CCCCC2)sc1C(=O)N1CCC[C@@]1(C)C(=O)[O-] ZINC001600694404 970848124 /nfs/dbraw/zinc/84/81/24/970848124.db2.gz IRIFDAWVDOGMNI-KRWDZBQOSA-N -1 0 336.457 3.579 20 0 EHADRM COc1ccc(C)cc1NC(=O)[C@@H](SCC(=O)[O-])c1ccccc1 ZINC001611043336 970863972 /nfs/dbraw/zinc/86/39/72/970863972.db2.gz FNBVZECHPPXLIH-KRWDZBQOSA-N -1 0 345.420 3.501 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)Nc2c(F)cccc2Cl)C1 ZINC000322629186 970911519 /nfs/dbraw/zinc/91/15/19/970911519.db2.gz RNBACOPGNKVNIJ-JTQLQIEISA-N -1 0 342.798 3.834 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cnc(Cl)c2ccccc12)c1cccs1 ZINC000322749677 970925582 /nfs/dbraw/zinc/92/55/82/970925582.db2.gz BWCKEYXJYPLBKA-ZDUSSCGKSA-N -1 0 346.795 3.505 20 0 EHADRM O=C([O-])c1cncc(NC(=O)CCc2ccc(-c3ccccc3)o2)c1 ZINC001601288000 970971541 /nfs/dbraw/zinc/97/15/41/970971541.db2.gz UWSXUNQCSKNQQL-UHFFFAOYSA-N -1 0 336.347 3.611 20 0 EHADRM COc1cc(NC(=O)c2cc(F)c(F)cc2Cl)ccc1C(=O)[O-] ZINC000323317649 970989600 /nfs/dbraw/zinc/98/96/00/970989600.db2.gz RJFIRWVGRMQEBT-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM COc1cc(NC(=O)c2cc(F)c(Cl)cc2F)ccc1C(=O)[O-] ZINC000323588171 971018936 /nfs/dbraw/zinc/01/89/36/971018936.db2.gz BQKQEJWDZMHKCK-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](c2nc(Cc3cccc(Cl)c3F)no2)C1 ZINC000323982583 971070702 /nfs/dbraw/zinc/07/07/02/971070702.db2.gz YRWUYSUVKRMPCK-GHMZBOCLSA-N -1 0 338.766 3.811 20 0 EHADRM Cc1cccc(OCCC(=O)Nc2ccc(C(=O)[O-])cc2C)c1C ZINC000324137531 971088250 /nfs/dbraw/zinc/08/82/50/971088250.db2.gz UQGFWDYEQFCTPN-UHFFFAOYSA-N -1 0 327.380 3.718 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)NC[C@H]2CCc3ccccc32)c1 ZINC001602042918 971127586 /nfs/dbraw/zinc/12/75/86/971127586.db2.gz ITVOQYAVWDNATJ-MRXNPFEDSA-N -1 0 338.407 3.555 20 0 EHADRM Cc1ccc(NC(=O)CCc2ccc([C@H]3C[C@H]3C)o2)cc1C(=O)[O-] ZINC000324834851 971161672 /nfs/dbraw/zinc/16/16/72/971161672.db2.gz VWCOVRPIPPTIBG-DOMZBBRYSA-N -1 0 327.380 3.981 20 0 EHADRM O=C([O-])c1cccc(NC(=O)NCc2ccc(C(F)(F)F)cc2)c1 ZINC000324844070 971163082 /nfs/dbraw/zinc/16/30/82/971163082.db2.gz CTPABZCJTHXXOL-UHFFFAOYSA-N -1 0 338.285 3.725 20 0 EHADRM CCC(CC)(NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000325196961 971192632 /nfs/dbraw/zinc/19/26/32/971192632.db2.gz FBNCNUNAZKUUBS-UHFFFAOYSA-N -1 0 327.380 3.852 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC000325258778 971198412 /nfs/dbraw/zinc/19/84/12/971198412.db2.gz NBQPCALGYHKNDZ-BPQIPLTHSA-N -1 0 329.440 3.650 20 0 EHADRM O=C([O-])c1cccc(CS(=O)(=O)c2cccc3ccccc32)c1 ZINC001602441621 971199375 /nfs/dbraw/zinc/19/93/75/971199375.db2.gz RZMZKZXSWCPEDB-UHFFFAOYSA-N -1 0 326.373 3.512 20 0 EHADRM Cc1cccc(OCCCC(=O)Nc2c(F)cccc2C(=O)[O-])c1 ZINC000325411403 971213773 /nfs/dbraw/zinc/21/37/73/971213773.db2.gz KPDRWKUOGPSAEO-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)[C@@H]2CCCc3sccc32)c2ccccc21 ZINC000325455080 971217986 /nfs/dbraw/zinc/21/79/86/971217986.db2.gz YTINLTROFAFVBC-CABCVRRESA-N -1 0 341.432 3.773 20 0 EHADRM O=C([O-])[C@H]1CCN(Cc2coc(-c3cccs3)n2)c2ccccc21 ZINC000325523564 971222713 /nfs/dbraw/zinc/22/27/13/971222713.db2.gz QCQLHJOAWKAYDU-AWEZNQCLSA-N -1 0 340.404 3.982 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000325722884 971238182 /nfs/dbraw/zinc/23/81/82/971238182.db2.gz URELYBILKHDFMH-HNNXBMFYSA-N -1 0 344.333 3.732 20 0 EHADRM Cc1c(C(=O)[O-])cc(CNc2ccc(N(C)C(C)C)c(F)c2)n1C ZINC000326475671 971296996 /nfs/dbraw/zinc/29/69/96/971296996.db2.gz FJJOWVSAOWVHOT-UHFFFAOYSA-N -1 0 333.407 3.628 20 0 EHADRM CCCCc1ccc(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1 ZINC000326931503 971347002 /nfs/dbraw/zinc/34/70/02/971347002.db2.gz KNZKGCNKCRZWMQ-LJQANCHMSA-N -1 0 337.419 3.853 20 0 EHADRM Cc1cc(C)cc(OCCC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000327107588 971367599 /nfs/dbraw/zinc/36/75/99/971367599.db2.gz LPGRHNVWZNIEFX-UHFFFAOYSA-N -1 0 349.333 3.687 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)Nc2cccc3ccccc32)c1 ZINC000327287794 971384205 /nfs/dbraw/zinc/38/42/05/971384205.db2.gz HYNWMOAXBRPTFT-UHFFFAOYSA-N -1 0 334.375 3.902 20 0 EHADRM O=C([O-])[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)F)Cc2ccccc21 ZINC000327488426 971403340 /nfs/dbraw/zinc/40/33/40/971403340.db2.gz IUWDZRXVWSTQIF-CQSZACIVSA-N -1 0 348.305 3.721 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000327533070 971407062 /nfs/dbraw/zinc/40/70/62/971407062.db2.gz JYTICODXHFNOPS-CXAGYDPISA-N -1 0 340.379 3.806 20 0 EHADRM C[C@H]1Cc2ccccc2N(CCOc2ccc(/C=C/C(=O)[O-])cc2)C1 ZINC000327646817 971415140 /nfs/dbraw/zinc/41/51/40/971415140.db2.gz UPKVYSWRTNLASI-KXKDPZRNSA-N -1 0 337.419 3.862 20 0 EHADRM Cc1[nH]c2ccc(C(=O)Nc3ccc(OCC(=O)[O-])cc3)cc2c1C ZINC000327662936 971416206 /nfs/dbraw/zinc/41/62/06/971416206.db2.gz ZGLCIBDVQVWQMJ-UHFFFAOYSA-N -1 0 338.363 3.500 20 0 EHADRM COc1cc(NC(=O)N[C@@H](C)CCc2ccccc2)ccc1C(=O)[O-] ZINC000327803008 971426321 /nfs/dbraw/zinc/42/63/21/971426321.db2.gz IWGAOOKCYVVNLN-ZDUSSCGKSA-N -1 0 342.395 3.536 20 0 EHADRM O=C([O-])c1ccccc1CCNC(=O)N[C@@H]1CCCCC12CCCC2 ZINC000327822920 971427584 /nfs/dbraw/zinc/42/75/84/971427584.db2.gz LGFHHFBDRAVIBH-QGZVFWFLSA-N -1 0 344.455 3.730 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC000327967061 971438266 /nfs/dbraw/zinc/43/82/66/971438266.db2.gz VXYQAMOPPNDBRC-UHFFFAOYSA-N -1 0 349.333 3.769 20 0 EHADRM C[C@H](CCNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 ZINC000328027944 971442764 /nfs/dbraw/zinc/44/27/64/971442764.db2.gz OJYWZZKOQYHUQP-LLVKDONJSA-N -1 0 348.349 3.978 20 0 EHADRM O=C([O-])Cc1occc1C(=O)Nc1ccccc1Cc1ccccc1 ZINC000328275462 971459168 /nfs/dbraw/zinc/45/91/68/971459168.db2.gz GFNSZVLWUVBTFX-UHFFFAOYSA-N -1 0 335.359 3.750 20 0 EHADRM CC(C)C[C@H](NC(=O)/C=C/c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000037430969 948831434 /nfs/dbraw/zinc/83/14/34/948831434.db2.gz CVSZKDLUVAIKAS-OOPCZODUSA-N -1 0 330.211 3.622 20 0 EHADRM CCCN(C(=O)CCC(=O)[O-])[C@@H](C)c1ccccc1Br ZINC000037832811 948844076 /nfs/dbraw/zinc/84/40/76/948844076.db2.gz MTFXOKWILNZDEP-NSHDSACASA-N -1 0 342.233 3.614 20 0 EHADRM O=C([O-])CN(C(=O)CSc1ccccc1Cl)c1ccccc1 ZINC000336849572 971515567 /nfs/dbraw/zinc/51/55/67/971515567.db2.gz FRCGHMHOJMRKHB-UHFFFAOYSA-N -1 0 335.812 3.550 20 0 EHADRM CCC(CC)(NC(=O)C[C@H](C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000342520398 971517333 /nfs/dbraw/zinc/51/73/33/971517333.db2.gz GPFBMZDUIWCYPA-GFCCVEGCSA-N -1 0 325.836 3.668 20 0 EHADRM Cc1ncc(-c2ccc(NC(=O)Cc3ccccc3C(=O)[O-])cc2)o1 ZINC000347388997 971524859 /nfs/dbraw/zinc/52/48/59/971524859.db2.gz OGMGJSCQZDGBAQ-UHFFFAOYSA-N -1 0 336.347 3.529 20 0 EHADRM CC(C)Oc1cc(F)ccc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000351888435 971529093 /nfs/dbraw/zinc/52/90/93/971529093.db2.gz IQXPRSRCFFYGLL-UHFFFAOYSA-N -1 0 337.391 3.977 20 0 EHADRM CC(C)c1ccsc1C(=O)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000358592952 971531732 /nfs/dbraw/zinc/53/17/32/971531732.db2.gz OCNGSVBIWSKZLB-UHFFFAOYSA-N -1 0 347.436 3.607 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)NCc2ccc3ccccc3c2)C1 ZINC001589594517 949125775 /nfs/dbraw/zinc/12/57/75/949125775.db2.gz NSINGQRANTZQLI-HXUWFJFHSA-N -1 0 340.423 3.626 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1cccc(F)c1Br ZINC000155681848 949359196 /nfs/dbraw/zinc/35/91/96/949359196.db2.gz MRWFEQLKLUZARO-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2ccc(Cn3cccc3)cc2)cc1 ZINC001595233928 949381287 /nfs/dbraw/zinc/38/12/87/949381287.db2.gz ZCFIUSXONFZEDC-UHFFFAOYSA-N -1 0 335.359 3.592 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1cc(-c2ccccn2)ccc1Cl)C(=O)[O-] ZINC000190721312 949500848 /nfs/dbraw/zinc/50/08/48/949500848.db2.gz CURJTSYMYDZRDP-ZBEGNZNMSA-N -1 0 346.814 3.631 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2ccc(OCc3ccncc3)cc2)c1 ZINC001595249155 949535798 /nfs/dbraw/zinc/53/57/98/949535798.db2.gz RHGOCRCYDRQXFM-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CCCc2c(F)ccc(Cl)c21 ZINC001595253945 949570222 /nfs/dbraw/zinc/57/02/22/949570222.db2.gz LCMHAGFLBIMNLM-UHFFFAOYSA-N -1 0 347.773 3.699 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)c1ccnc2cc(Cl)ccc21 ZINC001595255523 949598180 /nfs/dbraw/zinc/59/81/80/949598180.db2.gz ARSHNSPPKZBGIG-UHFFFAOYSA-N -1 0 340.766 3.516 20 0 EHADRM CCC[C@@](C)(NC(=O)c1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC001589634873 949602155 /nfs/dbraw/zinc/60/21/55/949602155.db2.gz UEXHPRBWDHBZLQ-HXUWFJFHSA-N -1 0 341.407 3.595 20 0 EHADRM Cc1ccc(NC(=O)Cc2ccccc2C(=O)[O-])c(Br)c1 ZINC000228043688 949617357 /nfs/dbraw/zinc/61/73/57/949617357.db2.gz YCACVWUYHQKQSS-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM O=C([O-])c1ccccc1OCCSc1ncnc2sccc21 ZINC001595261164 949663984 /nfs/dbraw/zinc/66/39/84/949663984.db2.gz YIJZJYXSKAAXLS-UHFFFAOYSA-N -1 0 332.406 3.561 20 0 EHADRM CCCC[C@H](CC)COC(=O)c1ccc(NC(=O)[C@@H](C)C(=O)[O-])cc1 ZINC001589640971 949689398 /nfs/dbraw/zinc/68/93/98/949689398.db2.gz NUHKMJDHKDAZDX-KGLIPLIRSA-N -1 0 349.427 3.719 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)c2c(Cl)cccc2C(F)(F)F)c1 ZINC001595263012 949709567 /nfs/dbraw/zinc/70/95/67/949709567.db2.gz HHUCIPQOZHJJKO-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM CCCCCCn1c(=O)c2ccccc2nc1S[C@H](C)C(=O)[O-] ZINC001589645596 949730875 /nfs/dbraw/zinc/73/08/75/949730875.db2.gz IUJGBAAMNCBLQH-GFCCVEGCSA-N -1 0 334.441 3.542 20 0 EHADRM CCC1(NC(=O)Nc2cc(C(=O)[O-])ccc2Br)CCC1 ZINC000233047879 949798837 /nfs/dbraw/zinc/79/88/37/949798837.db2.gz BFVXUSQDSPZCBU-UHFFFAOYSA-N -1 0 341.205 3.602 20 0 EHADRM O=C([O-])c1cncc(NC(=O)N(Cc2ccccc2)CC2CCC2)c1 ZINC001595270986 949825586 /nfs/dbraw/zinc/82/55/86/949825586.db2.gz LRVKNCBUBLQAID-UHFFFAOYSA-N -1 0 339.395 3.614 20 0 EHADRM CCCOc1ccc(CCC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000236794928 949936458 /nfs/dbraw/zinc/93/64/58/949936458.db2.gz IAODKFUWQCWNCW-QGZVFWFLSA-N -1 0 347.455 3.511 20 0 EHADRM CC(C)c1ccc(-c2nc(C(=O)N[C@@H](C)CC(=O)[O-])cs2)cc1 ZINC000236786460 949936701 /nfs/dbraw/zinc/93/67/01/949936701.db2.gz BEFVUZQXKZUBLS-NSHDSACASA-N -1 0 332.425 3.527 20 0 EHADRM O=C([O-])CCC(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000238093211 949995489 /nfs/dbraw/zinc/99/54/89/949995489.db2.gz LUSGQJITCYUOEU-UHFFFAOYSA-N -1 0 340.404 3.690 20 0 EHADRM O=C([O-])[C@H]1CCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000261788694 950049683 /nfs/dbraw/zinc/04/96/83/950049683.db2.gz SROSLEPSBQEDGN-VIFPVBQESA-N -1 0 341.251 3.631 20 0 EHADRM CCCOc1ccc(Cl)cc1C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC001589681332 950049975 /nfs/dbraw/zinc/04/99/75/950049975.db2.gz KZMQTPQPBOEBIB-LBPRGKRZSA-N -1 0 341.835 3.606 20 0 EHADRM CCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC000261964766 950052093 /nfs/dbraw/zinc/05/20/93/950052093.db2.gz AXQUCOBTTPRVMU-WDEREUQCSA-N -1 0 345.317 3.544 20 0 EHADRM CCCOc1ccc(COC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC001589681612 950053389 /nfs/dbraw/zinc/05/33/89/950053389.db2.gz WOSIOKJTLUQFRW-CSKARUKUSA-N -1 0 330.336 3.523 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)C2(c3ccccc3F)CCCC2)C1 ZINC000262204836 950084538 /nfs/dbraw/zinc/08/45/38/950084538.db2.gz JXVIFQZIVMVOMT-HNNXBMFYSA-N -1 0 347.430 3.741 20 0 EHADRM Cc1ccccc1C1CCN(C(=O)Cc2ccccc2C(=O)[O-])CC1 ZINC000262241798 950094221 /nfs/dbraw/zinc/09/42/21/950094221.db2.gz YDCSRQDIDNRFHY-UHFFFAOYSA-N -1 0 337.419 3.642 20 0 EHADRM Cc1ccc(OCCC(=O)Nc2cccc(CCC(=O)[O-])c2)c(C)c1 ZINC000262294882 950105370 /nfs/dbraw/zinc/10/53/70/950105370.db2.gz WNPXFJVQSTURNS-UHFFFAOYSA-N -1 0 341.407 3.728 20 0 EHADRM CCCN(CC)c1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000262743716 950163544 /nfs/dbraw/zinc/16/35/44/950163544.db2.gz AHNUIQXNDADKLR-MRXNPFEDSA-N -1 0 346.471 3.640 20 0 EHADRM CCCn1ncc(NC(=O)Nc2ccc(C(=O)[O-])cc2F)c1C1CC1 ZINC001589696822 950173598 /nfs/dbraw/zinc/17/35/98/950173598.db2.gz CSBKRJKBGRLVAA-UHFFFAOYSA-N -1 0 346.362 3.652 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263025685 950219952 /nfs/dbraw/zinc/21/99/52/950219952.db2.gz ANYGEKZBFLSZTN-KOLCDFICSA-N -1 0 344.333 3.588 20 0 EHADRM COc1ccc([C@H](C)N(C)C(=O)c2cc(C)cc(C(=O)[O-])c2)cc1 ZINC000263042456 950229838 /nfs/dbraw/zinc/22/98/38/950229838.db2.gz DCVSOIAFNTXXBZ-ZDUSSCGKSA-N -1 0 327.380 3.535 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)c1sccc1Br)C(=O)[O-] ZINC000263096842 950262406 /nfs/dbraw/zinc/26/24/06/950262406.db2.gz IKZPYQCDPWXBKW-SECBINFHSA-N -1 0 348.262 3.520 20 0 EHADRM O=C([O-])CC[C@H]1CCC[N@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000263165219 950304651 /nfs/dbraw/zinc/30/46/51/950304651.db2.gz RDAZNTXPRJLZTR-CQSZACIVSA-N -1 0 347.846 3.603 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N2CCC(c3ccsc3)CC2)cc1 ZINC000263502918 950493432 /nfs/dbraw/zinc/49/34/32/950493432.db2.gz WCGLZHPIEYUQAJ-UHFFFAOYSA-N -1 0 344.436 3.536 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CC=C(c2ccccc2Cl)CC1 ZINC001602847865 971685735 /nfs/dbraw/zinc/68/57/35/971685735.db2.gz YWZUTMYQYKOEMJ-OAHLLOKOSA-N -1 0 335.831 3.703 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000316056694 950866923 /nfs/dbraw/zinc/86/69/23/950866923.db2.gz FNNQGLWFBMAQDA-UHFFFAOYSA-N -1 0 344.238 3.639 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000318543419 950927595 /nfs/dbraw/zinc/92/75/95/950927595.db2.gz LTYUGADWPLSEGO-MJVIPROJSA-N -1 0 341.860 3.532 20 0 EHADRM O=C([O-])C1(CNC(=O)CCCSc2ccc(Cl)cc2)CCC1 ZINC000318962462 950942692 /nfs/dbraw/zinc/94/26/92/950942692.db2.gz UVHAEHMUYFSLFH-UHFFFAOYSA-N -1 0 341.860 3.583 20 0 EHADRM CCOC(=O)CN(Cc1cccc(C(=O)[O-])c1)[C@H](C)c1ccccc1 ZINC001590648499 950966652 /nfs/dbraw/zinc/96/66/52/950966652.db2.gz QQTNDMGLBDHZAZ-OAHLLOKOSA-N -1 0 341.407 3.511 20 0 EHADRM Cc1cc(NC(=O)Nc2nc3c(s2)CCCC3)ccc1C(=O)[O-] ZINC000321047159 951009885 /nfs/dbraw/zinc/00/98/85/951009885.db2.gz UOZNXWGEKINDBW-UHFFFAOYSA-N -1 0 331.397 3.673 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)C1(Sc2ccccc2)CC1)C(=O)[O-] ZINC001602859355 971710233 /nfs/dbraw/zinc/71/02/33/971710233.db2.gz HTUZSWXOFXTYBB-AWEZNQCLSA-N -1 0 335.469 3.707 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000324362391 951066089 /nfs/dbraw/zinc/06/60/89/951066089.db2.gz RICZGAFJELKPIG-HNNXBMFYSA-N -1 0 334.416 3.725 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)C[C@@H]1C[C@H]1Cc1ccccc1)C(=O)[O-] ZINC001602861141 971718083 /nfs/dbraw/zinc/71/80/83/971718083.db2.gz KMAIMZBLHBPJCE-IKGGRYGDSA-N -1 0 331.456 3.651 20 0 EHADRM CC(C)Cc1ccc(CC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000347525271 951132850 /nfs/dbraw/zinc/13/28/50/951132850.db2.gz SICDRSBKTIEXGH-GOSISDBHSA-N -1 0 331.456 3.674 20 0 EHADRM Cc1cc2[nH]c(C(=O)N3CCc4ccccc4[C@@H]3C(=O)[O-])cc2c(C)c1 ZINC000362680080 951135792 /nfs/dbraw/zinc/13/57/92/951135792.db2.gz HELAWNKZJYNDQX-LJQANCHMSA-N -1 0 348.402 3.609 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000364198547 951137572 /nfs/dbraw/zinc/13/75/72/951137572.db2.gz FGOGTUCEAJHORJ-LLVKDONJSA-N -1 0 341.860 3.534 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)N2CCC(C)(C(=O)[O-])CC2)ccc1C(C)C ZINC000364186951 951138494 /nfs/dbraw/zinc/13/84/94/951138494.db2.gz ZFWSEPZLDHXHHN-OAHLLOKOSA-N -1 0 347.455 3.599 20 0 EHADRM N#Cc1cc(F)c(NC2CCC(C(=O)[O-])CC2)cc1Br ZINC000380183809 951184481 /nfs/dbraw/zinc/18/44/81/951184481.db2.gz BRLWFLKSGAYMPM-UHFFFAOYSA-N -1 0 341.180 3.515 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)C[C@H](c1ccc(O)cc1)C1CC1 ZINC001595008051 951226939 /nfs/dbraw/zinc/22/69/39/951226939.db2.gz BMGQEQBJMIMPFW-AEFFLSMTSA-N -1 0 345.439 3.522 20 0 EHADRM O=C([O-])CCCCC(=O)N(c1ccc(Br)cc1)C1CC1 ZINC001595031178 951368004 /nfs/dbraw/zinc/36/80/04/951368004.db2.gz FLFAVVBCOUYOML-UHFFFAOYSA-N -1 0 340.217 3.590 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCC([C@H](F)c2ccccc2F)CC1 ZINC001595031195 951368230 /nfs/dbraw/zinc/36/82/30/951368230.db2.gz GGFPEMVESTVQGY-SFHVURJKSA-N -1 0 339.382 3.720 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCCc2c1cccc2C(F)(F)F ZINC001595032046 951378278 /nfs/dbraw/zinc/37/82/78/951378278.db2.gz SUZZJKJKDHFPTR-UHFFFAOYSA-N -1 0 329.318 3.630 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)c1ccc2ncsc2c1 ZINC000391791494 951406050 /nfs/dbraw/zinc/40/60/50/951406050.db2.gz MLBBUXSKFYERRY-UHFFFAOYSA-N -1 0 338.388 3.588 20 0 EHADRM O=C([O-])CCCCNC(=O)Nc1cccc(COc2ccccc2)c1 ZINC001595043622 951436407 /nfs/dbraw/zinc/43/64/07/951436407.db2.gz URVCXGARDBWURC-UHFFFAOYSA-N -1 0 342.395 3.642 20 0 EHADRM O=C([O-])CCNC(=O)/C=C/c1cccc(-c2ccc(Cl)cc2)c1 ZINC001595057559 951504803 /nfs/dbraw/zinc/50/48/03/951504803.db2.gz LACLKGWCFREZEO-RUDMXATFSA-N -1 0 329.783 3.611 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2nc(Cl)sc2Cl)c1 ZINC001595066623 951554635 /nfs/dbraw/zinc/55/46/35/951554635.db2.gz PZASSKAXLWJXNT-UHFFFAOYSA-N -1 0 345.207 3.719 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2nccc3ccsc32)c1 ZINC001595066611 951555093 /nfs/dbraw/zinc/55/50/93/951555093.db2.gz OZDHVIXLONLINU-UHFFFAOYSA-N -1 0 326.377 3.566 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)NC[C@H]2CC3CCC2CC3)c1 ZINC000400090276 951644628 /nfs/dbraw/zinc/64/46/28/951644628.db2.gz BCSNGGCPKQZAPW-UYSNPLJNSA-N -1 0 330.428 3.652 20 0 EHADRM O=C([O-])COc1ccc(C(=O)Oc2c(Cl)cccc2Cl)cc1 ZINC001595119754 951967669 /nfs/dbraw/zinc/96/76/69/951967669.db2.gz GLQVDTLXYCSFGS-UHFFFAOYSA-N -1 0 341.146 3.676 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)CCSCc2ccccc2)c1 ZINC001595130202 952029532 /nfs/dbraw/zinc/02/95/32/952029532.db2.gz RITYLRPQXCIQQC-UHFFFAOYSA-N -1 0 329.421 3.576 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)C2(c3nccc4ccccc43)CC2)c1 ZINC001595130394 952030528 /nfs/dbraw/zinc/03/05/28/952030528.db2.gz AQZJVXKJHNPDPN-UHFFFAOYSA-N -1 0 346.386 3.532 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1cc(Br)c2ccccc2c1 ZINC001595182020 952254615 /nfs/dbraw/zinc/25/46/15/952254615.db2.gz IYTIPUCBPLHQOO-CHWSQXEVSA-N -1 0 348.196 3.652 20 0 EHADRM C[C@@H]1CCC[C@@H](C(=O)Nc2ccc(Br)cc2C(=O)[O-])C1 ZINC000383155305 971851594 /nfs/dbraw/zinc/85/15/94/971851594.db2.gz OZSTWFCVFSYZQJ-NXEZZACHSA-N -1 0 340.217 3.912 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1 ZINC001602916620 971872612 /nfs/dbraw/zinc/87/26/12/971872612.db2.gz GDZQZPSJZBCAMS-UHFFFAOYSA-N -1 0 329.352 3.520 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCN2C(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001602922898 971882585 /nfs/dbraw/zinc/88/25/85/971882585.db2.gz FCFPQHYLBVEBLP-HXUWFJFHSA-N -1 0 327.424 3.684 20 0 EHADRM CC(C)(CNC(=O)Nc1cc(C(=O)[O-])ccn1)c1ccc(Cl)cc1 ZINC001602948149 971917855 /nfs/dbraw/zinc/91/78/55/971917855.db2.gz CYXHHMPBILPZDJ-UHFFFAOYSA-N -1 0 347.802 3.533 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2F)CCc2ccccc21 ZINC000404779132 953383001 /nfs/dbraw/zinc/38/30/01/953383001.db2.gz MQRQJSPXBCJHJY-LBPRGKRZSA-N -1 0 342.370 3.718 20 0 EHADRM CC(C)[C@H](NC(=O)N(C)CCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000414593246 953395391 /nfs/dbraw/zinc/39/53/91/953395391.db2.gz DOZASUBCSROMBW-HNNXBMFYSA-N -1 0 326.824 3.543 20 0 EHADRM O=C([O-])CCCCCNC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000414592753 953395582 /nfs/dbraw/zinc/39/55/82/953395582.db2.gz DASVXUKYFDUJRY-INIZCTEOSA-N -1 0 338.835 3.735 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)NCCCCCC(=O)[O-] ZINC000414613457 953399305 /nfs/dbraw/zinc/39/93/05/953399305.db2.gz NMFAJOGFQRNQQI-AWEZNQCLSA-N -1 0 336.432 3.546 20 0 EHADRM CC[C@@H](NC(=O)Nc1cccc(COc2ccccc2)c1C)C(=O)[O-] ZINC001593603817 953416902 /nfs/dbraw/zinc/41/69/02/953416902.db2.gz BXAWCRZIWHXEFA-MRXNPFEDSA-N -1 0 342.395 3.559 20 0 EHADRM C[C@@H](c1ccc(C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1)C(F)(F)F ZINC001589275369 953465807 /nfs/dbraw/zinc/46/58/07/953465807.db2.gz ZWEZMHRTXYGYTN-SUNKGSAMSA-N -1 0 343.345 3.535 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1cccn1[C@@H](C)Cc1ccccc1)C(=O)[O-] ZINC001593614105 953484936 /nfs/dbraw/zinc/48/49/36/953484936.db2.gz DGONPMGBAMZVII-MPGHIAIKSA-N -1 0 342.439 3.521 20 0 EHADRM CC(C)(C)CC[C@@H](NCc1csc(-c2ccccn2)n1)C(=O)[O-] ZINC000426742027 953491623 /nfs/dbraw/zinc/49/16/23/953491623.db2.gz IEYRZHWHXXBNNY-CQSZACIVSA-N -1 0 333.457 3.574 20 0 EHADRM COc1ccc2nc(CN[C@H](CCC(C)(C)C)C(=O)[O-])sc2c1 ZINC000426762552 953492472 /nfs/dbraw/zinc/49/24/72/953492472.db2.gz LFDHCRNZEYPPIU-CYBMUJFWSA-N -1 0 336.457 3.674 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)NC[C@@H]1SCCc2ccccc21 ZINC001594762375 953504942 /nfs/dbraw/zinc/50/49/42/953504942.db2.gz LSJKHVQQZUITAQ-INIZCTEOSA-N -1 0 342.420 3.537 20 0 EHADRM CC[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C)C(=O)[O-] ZINC001593618708 953511342 /nfs/dbraw/zinc/51/13/42/953511342.db2.gz IOIPHGNJEQNZEO-HNNXBMFYSA-N -1 0 349.471 3.640 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)Nc1cccc(OC(F)F)c1)C(=O)[O-] ZINC000517485744 953546207 /nfs/dbraw/zinc/54/62/07/953546207.db2.gz SVQUCFYLIXDOAO-LBPRGKRZSA-N -1 0 344.358 3.689 20 0 EHADRM CC[C@H](C)Oc1ccc(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000519118775 953548309 /nfs/dbraw/zinc/54/83/09/953548309.db2.gz AVVJGLRGPGSIEL-UONOGXRCSA-N -1 0 334.416 3.583 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(SC3CCCC3)cc2)CCOCC1 ZINC000565032148 953613089 /nfs/dbraw/zinc/61/30/89/953613089.db2.gz RROKFEZWMFXMQL-UHFFFAOYSA-N -1 0 349.452 3.541 20 0 EHADRM CCc1ccc([C@@H]2CCN(C(=O)c3coc(/C=C\C(=O)[O-])c3)C2)cc1 ZINC001593637283 953616691 /nfs/dbraw/zinc/61/66/91/953616691.db2.gz RBIOBOKJKZSANE-XITLMJRVSA-N -1 0 339.391 3.570 20 0 EHADRM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)NCC2(C(=O)[O-])CCC2)o1 ZINC001593637340 953618011 /nfs/dbraw/zinc/61/80/11/953618011.db2.gz SXFLHRNHNAWEES-DZGCQCFKSA-N -1 0 348.443 3.580 20 0 EHADRM CCc1ccc(NC(=O)Nc2ccccc2CC(=O)[O-])cc1OC ZINC001593639213 953634720 /nfs/dbraw/zinc/63/47/20/953634720.db2.gz ZGWCKMQPWKMCLT-UHFFFAOYSA-N -1 0 328.368 3.529 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc2nc(C(C)(C)C)sc2c1)C(=O)[O-] ZINC000577431982 953694448 /nfs/dbraw/zinc/69/44/48/953694448.db2.gz JZANBLYRYQONNX-JTQLQIEISA-N -1 0 335.429 3.579 20 0 EHADRM Cc1ccc2oc(C(=O)NC[C@](C)(C(=O)[O-])c3ccccc3)cc2c1 ZINC000577895270 953697919 /nfs/dbraw/zinc/69/79/19/953697919.db2.gz BCRJOHPZYVMXRU-FQEVSTJZSA-N -1 0 337.375 3.514 20 0 EHADRM CCc1nc2ccc(NC(=O)N3CCC[C@@H](CC(=O)[O-])C3)cc2s1 ZINC001593650683 953706617 /nfs/dbraw/zinc/70/66/17/953706617.db2.gz FMJGQZQKQOWDLV-NSHDSACASA-N -1 0 347.440 3.577 20 0 EHADRM CCc1nc2ccc(NC(=O)N3CCC[C@H](CC(=O)[O-])C3)cc2s1 ZINC001593650681 953706661 /nfs/dbraw/zinc/70/66/61/953706661.db2.gz FMJGQZQKQOWDLV-LLVKDONJSA-N -1 0 347.440 3.577 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC001594803669 953760625 /nfs/dbraw/zinc/76/06/25/953760625.db2.gz BWBIYTBTKDORPE-ZDUSSCGKSA-N -1 0 340.713 3.566 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1ccc(C2CC2)cc1)c1ccc(F)cc1 ZINC001594804722 953774404 /nfs/dbraw/zinc/77/44/04/953774404.db2.gz ZCYGKQQSDSLVFA-MRXNPFEDSA-N -1 0 328.343 3.651 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(SC(F)(F)F)o2)ccc1O ZINC001594805466 953777835 /nfs/dbraw/zinc/77/78/35/953777835.db2.gz OIIHEYVGTRULLV-UHFFFAOYSA-N -1 0 347.270 3.548 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N[C@@H]1CCCOc2c(F)cccc21 ZINC001594811233 953825536 /nfs/dbraw/zinc/82/55/36/953825536.db2.gz WEKZOGNYEXVUHF-CQSZACIVSA-N -1 0 344.342 3.559 20 0 EHADRM CC(C)(CCNC(=O)Cc1cc(Cl)cc2ccccc21)C(=O)[O-] ZINC000630185015 953846411 /nfs/dbraw/zinc/84/64/11/953846411.db2.gz JSYHFYNYFDVBTQ-UHFFFAOYSA-N -1 0 333.815 3.653 20 0 EHADRM Cc1ccc(C(C)(C)CNC(=O)Cc2ccccc2C(=O)[O-])c(C)c1 ZINC000630294599 953850495 /nfs/dbraw/zinc/85/04/95/953850495.db2.gz KVDUCMMPWYNJQY-UHFFFAOYSA-N -1 0 339.435 3.638 20 0 EHADRM CC[C@@H](CSc1ccccc1)NC(=O)Cc1ccccc1C(=O)[O-] ZINC000630298406 953851530 /nfs/dbraw/zinc/85/15/30/953851530.db2.gz VTSBVRFCFXUWCV-HNNXBMFYSA-N -1 0 343.448 3.614 20 0 EHADRM Cc1cc(NC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)ccc1C(F)(F)F ZINC000630562316 953860779 /nfs/dbraw/zinc/86/07/79/953860779.db2.gz POTFLWNIEQUSPA-CMPLNLGQSA-N -1 0 344.333 3.588 20 0 EHADRM C[C@@H](CN(C)C(=O)Nc1cc(C(C)(C)C)cc2cccnc21)C(=O)[O-] ZINC000630570259 953867401 /nfs/dbraw/zinc/86/74/01/953867401.db2.gz ZJPNODOEUVHGSR-LBPRGKRZSA-N -1 0 343.427 3.717 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)nc1 ZINC000643429857 953902853 /nfs/dbraw/zinc/90/28/53/953902853.db2.gz FINNSXRKUYAIJX-OAHLLOKOSA-N -1 0 338.407 3.598 20 0 EHADRM C[C@H]1CCCN(C(=O)CCc2ccc(C(C)(C)C)cc2)[C@H]1C(=O)[O-] ZINC001589326063 953910825 /nfs/dbraw/zinc/91/08/25/953910825.db2.gz PKBHMFKRCGIEMU-KBXCAEBGSA-N -1 0 331.456 3.628 20 0 EHADRM CN(C(=O)[C@H](C(=O)[O-])C(C)(C)C)c1nc2cccc(Cl)c2s1 ZINC001593676926 953939417 /nfs/dbraw/zinc/93/94/17/953939417.db2.gz YTJCFPDXWRBAAG-SNVBAGLBSA-N -1 0 340.832 3.659 20 0 EHADRM C[C@H](c1ccc(C(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])cc1)C(F)(F)F ZINC001589330242 953947107 /nfs/dbraw/zinc/94/71/07/953947107.db2.gz XHRNWKLXBNADOL-GYSYKLTISA-N -1 0 343.345 3.678 20 0 EHADRM C[C@H](c1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])cc1)C(F)(F)F ZINC001589330243 953947322 /nfs/dbraw/zinc/94/73/22/953947322.db2.gz XHRNWKLXBNADOL-JTNHKYCSSA-N -1 0 343.345 3.678 20 0 EHADRM C[C@@H]1CCN(C(=O)C(C)(C)CCCc2ccccc2)C[C@H]1C(=O)[O-] ZINC000647755514 953975573 /nfs/dbraw/zinc/97/55/73/953975573.db2.gz NJWKAMCUAFAMDK-NVXWUHKLSA-N -1 0 331.456 3.605 20 0 EHADRM Cc1c2cccc(C)c2oc1CN(C)C(=O)C1(CC(=O)[O-])CCC1 ZINC000650291196 954012026 /nfs/dbraw/zinc/01/20/26/954012026.db2.gz KFIPIEMDOSPUIZ-UHFFFAOYSA-N -1 0 329.396 3.653 20 0 EHADRM Cc1c(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)oc2c1c(C)ccc2C ZINC000652127100 954081601 /nfs/dbraw/zinc/08/16/01/954081601.db2.gz GNOMFWQHLAGLRR-LSDHHAIUSA-N -1 0 341.407 3.541 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2ccc(CC(F)(F)F)cc2)CC=CCC1 ZINC000653282848 954094615 /nfs/dbraw/zinc/09/46/15/954094615.db2.gz LTUOSVJBNONNRG-HNNXBMFYSA-N -1 0 327.302 3.541 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC000653289202 954098965 /nfs/dbraw/zinc/09/89/65/954098965.db2.gz LUNWKKBDFKSWML-ORAYPTAESA-N -1 0 327.380 3.730 20 0 EHADRM C[C@H](NC(=O)[C@@]1(C(=O)[O-])CC=CCC1)c1cccc(C(F)(F)F)c1 ZINC000653296973 954105764 /nfs/dbraw/zinc/10/57/64/954105764.db2.gz FTUDEJFINIHEBZ-MEDUHNTESA-N -1 0 341.329 3.694 20 0 EHADRM O=C([O-])C1(C(=O)N2CCC(Cc3ccccc3Cl)CC2)CC=CC1 ZINC001594846112 954148710 /nfs/dbraw/zinc/14/87/10/954148710.db2.gz NUEWBQLBHDOUHK-UHFFFAOYSA-N -1 0 347.842 3.542 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[C@@H]2C2CC2)c2ccccc21 ZINC000653327339 954153989 /nfs/dbraw/zinc/15/39/89/954153989.db2.gz WEXZCWHFXZGOQW-PILAGYSTSA-N -1 0 327.424 3.632 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653328738 954157061 /nfs/dbraw/zinc/15/70/61/954157061.db2.gz MGVLFAPWFBPJKC-KGLIPLIRSA-N -1 0 344.436 3.618 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)CCc2cccc(Cl)c2)c2ccccc21 ZINC000653333297 954164248 /nfs/dbraw/zinc/16/42/48/954164248.db2.gz NNKZEUBRWMJJQY-SJORKVTESA-N -1 0 343.810 3.702 20 0 EHADRM CCOc1cc(C)ccc1NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653535796 954182457 /nfs/dbraw/zinc/18/24/57/954182457.db2.gz DKTHPXSDCFFCMU-MELADBBJSA-N -1 0 348.443 3.651 20 0 EHADRM Cc1cccc(C2(C(=O)N[C@@H](C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)CCC2)c1 ZINC000655586310 954228482 /nfs/dbraw/zinc/22/84/82/954228482.db2.gz QMCKNGSJGIVACJ-BHYGNILZSA-N -1 0 343.467 3.668 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cccc(F)c2C(C)(F)F)CC[C@@H]1C(=O)[O-] ZINC001589386521 954308882 /nfs/dbraw/zinc/30/88/82/954308882.db2.gz HTUSMUGCILEOGZ-ZJUUUORDSA-N -1 0 344.333 3.512 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C2[C@@H]3CCCCCC[C@@H]23)C[C@H]1c1ccccc1 ZINC000659150128 954311955 /nfs/dbraw/zinc/31/19/55/954311955.db2.gz USCFXLLLZDZLDI-ZJPYXAASSA-N -1 0 341.451 3.530 20 0 EHADRM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)NCC2(C(=O)[O-])CCC2)cc1 ZINC000659420367 954343839 /nfs/dbraw/zinc/34/38/39/954343839.db2.gz NFGSMXQNSTWQDC-DLBZAZTESA-N -1 0 344.455 3.527 20 0 EHADRM CCN(C(=O)c1ccc(OCC(=O)[O-])cc1)[C@H](C)c1ccc(F)cc1 ZINC000659753440 954355594 /nfs/dbraw/zinc/35/55/94/954355594.db2.gz LLGKYUOFPNPIBF-CYBMUJFWSA-N -1 0 345.370 3.512 20 0 EHADRM O=C([O-])C1(C(=O)Nc2nc(/C=C\c3ccccc3)cs2)CC=CC1 ZINC001594871845 954362688 /nfs/dbraw/zinc/36/26/88/954362688.db2.gz JHCRQUZUPRWGQU-HJWRWDBZSA-N -1 0 340.404 3.673 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2csc(-c3ccccc3)n2)CC=CCC1 ZINC001594872299 954365305 /nfs/dbraw/zinc/36/53/05/954365305.db2.gz QHVZTTLPIONBIP-KRWDZBQOSA-N -1 0 328.393 3.560 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Oc2ccc(Oc3nccs3)cc2)CC=CCC1 ZINC001594879116 954402948 /nfs/dbraw/zinc/40/29/48/954402948.db2.gz RKQSMEKOJANUSA-QGZVFWFLSA-N -1 0 345.376 3.652 20 0 EHADRM C[C@@H](CNC(=O)C1(C(=O)[O-])CC=CC1)c1c(Cl)cccc1Cl ZINC000663033153 954406614 /nfs/dbraw/zinc/40/66/14/954406614.db2.gz JMMIQCAHYVGANW-JTQLQIEISA-N -1 0 342.222 3.634 20 0 EHADRM CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC000663037105 954410882 /nfs/dbraw/zinc/41/08/82/954410882.db2.gz UKMUDFIGRSAZSN-SWLSCSKDSA-N -1 0 345.443 3.541 20 0 EHADRM C[C@H]1CN(c2nc3c(cc(Cl)cc3F)s2)CC[C@H]1C(=O)[O-] ZINC001589406980 954468941 /nfs/dbraw/zinc/46/89/41/954468941.db2.gz NHSGZMFEWLWTGL-IONNQARKSA-N -1 0 328.796 3.636 20 0 EHADRM CN(Cc1ccc2ccccc2c1)C(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001593761031 954492790 /nfs/dbraw/zinc/49/27/90/954492790.db2.gz LLMROVJWUWNVRF-GOSISDBHSA-N -1 0 325.408 3.689 20 0 EHADRM C[C@H]1Cc2cc(Cl)ccc2N1C(=O)Cc1ccccc1C(=O)[O-] ZINC001589411029 954516156 /nfs/dbraw/zinc/51/61/56/954516156.db2.gz MPHICAAHBMXEQA-NSHDSACASA-N -1 0 329.783 3.559 20 0 EHADRM CCC(C)(C)CNC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666543414 954553996 /nfs/dbraw/zinc/55/39/96/954553996.db2.gz COWQOGWPAPXOIR-UHFFFAOYSA-N -1 0 332.444 3.710 20 0 EHADRM COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000681680588 954598622 /nfs/dbraw/zinc/59/86/22/954598622.db2.gz ODIKWVTYSXEEQU-NSHDSACASA-N -1 0 331.393 3.513 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)N2CC=CC23CCCCC3)c2ccccc21 ZINC001594899997 954617382 /nfs/dbraw/zinc/61/73/82/954617382.db2.gz GQFBRERGZAUPSO-SJORKVTESA-N -1 0 340.423 3.584 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)[C@H]2Cc3ccccc3S2)c1 ZINC000386251231 972038866 /nfs/dbraw/zinc/03/88/66/972038866.db2.gz VUNDDJALANNZOB-CQSZACIVSA-N -1 0 333.796 3.694 20 0 EHADRM CCC(C)(C)C1CCC2(C[C@H]2C(=O)Nc2cnn(CC(=O)[O-])c2)CC1 ZINC001589447759 954779262 /nfs/dbraw/zinc/77/92/62/954779262.db2.gz PCEBNCAGLOWOCV-BTUGKURYSA-N -1 0 347.459 3.539 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC001589463493 954874159 /nfs/dbraw/zinc/87/41/59/954874159.db2.gz DVQTWFMOAAJLAZ-NSCBOBCMSA-N -1 0 347.455 3.740 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])n1 ZINC001589464791 954893975 /nfs/dbraw/zinc/89/39/75/954893975.db2.gz RMQXYKSMHJPLFG-ZIAGYGMSSA-N -1 0 349.431 3.510 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)NCCC2=CCCCCC2)Cc2ccccc21 ZINC001594946425 954915952 /nfs/dbraw/zinc/91/59/52/954915952.db2.gz KXVQDFUZUMPBQO-GOSISDBHSA-N -1 0 342.439 3.661 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)NCc1ccc(C)cc1OC(C)(C)C ZINC001589473885 954941589 /nfs/dbraw/zinc/94/15/89/954941589.db2.gz JKSLMRQGDAUJOA-UHFFFAOYSA-N -1 0 335.444 3.680 20 0 EHADRM O=C([O-])[C@H]1CN(Cc2cc3c(ccnc3Cl)o2)Cc2ccccc21 ZINC001594951606 954957117 /nfs/dbraw/zinc/95/71/17/954957117.db2.gz OQOXGMJYAWMJAN-HNNXBMFYSA-N -1 0 342.782 3.665 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCC[C@H]1/C=C/c1ccccc1)C(=O)[O-] ZINC001603008749 972057839 /nfs/dbraw/zinc/05/78/39/972057839.db2.gz DSAXIAHROWNMFT-KNJKRIMISA-N -1 0 344.455 3.621 20 0 EHADRM CCC(CC)(CNC(=O)NC[C@H](Cc1ccccc1)C(C)C)C(=O)[O-] ZINC001589493859 955015246 /nfs/dbraw/zinc/01/52/46/955015246.db2.gz QKXARUUYVUJVRZ-KRWDZBQOSA-N -1 0 348.487 3.692 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000769528519 955321094 /nfs/dbraw/zinc/32/10/94/955321094.db2.gz VAVKKMCCWARBQS-JVSIQZEQSA-N -1 0 345.439 3.590 20 0 EHADRM Cc1sc(NC(=O)C2(C(=O)[O-])CC=CC2)nc1-c1ccc(F)cc1 ZINC001594512090 955397745 /nfs/dbraw/zinc/39/77/45/955397745.db2.gz IJOFVNNLZPLCOR-UHFFFAOYSA-N -1 0 346.383 3.617 20 0 EHADRM C[C@@H](CCC(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC001589014361 955420342 /nfs/dbraw/zinc/42/03/42/955420342.db2.gz PUYSEIQTJNLKGQ-UGSOOPFHSA-N -1 0 329.371 3.652 20 0 EHADRM O=C([O-])CCCCNC(=O)Nc1ccccc1SC(F)(F)F ZINC000841835357 955594533 /nfs/dbraw/zinc/59/45/33/955594533.db2.gz YYSATOAONPLTGY-UHFFFAOYSA-N -1 0 336.335 3.675 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2cccc(SC(F)F)c2)C[C@@H]1C(=O)[O-] ZINC000843318980 955627932 /nfs/dbraw/zinc/62/79/32/955627932.db2.gz IVNHPIHPDNMBDD-CABZTGNLSA-N -1 0 344.383 3.576 20 0 EHADRM C[C@@H](CNC(=O)N[C@@H](c1cccc(Cl)c1)C1CCCC1)C(=O)[O-] ZINC001589050500 955655988 /nfs/dbraw/zinc/65/59/88/955655988.db2.gz CYOGBXPGAVWADC-XHDPSFHLSA-N -1 0 338.835 3.591 20 0 EHADRM COC(=O)c1cc(NC(=O)c2cccc(C(=O)[O-])c2)cc2ccccc21 ZINC001593882760 955723083 /nfs/dbraw/zinc/72/30/83/955723083.db2.gz WHVRVSURKJNLTG-UHFFFAOYSA-N -1 0 349.342 3.577 20 0 EHADRM C[C@H](Cc1ccccc1)n1cccc1C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001589080581 955848389 /nfs/dbraw/zinc/84/83/89/955848389.db2.gz GZXLTFHEGMHIIO-CQSZACIVSA-N -1 0 349.390 3.637 20 0 EHADRM C[C@@H](Cc1ccco1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001589082143 955866067 /nfs/dbraw/zinc/86/60/67/955866067.db2.gz IRFCOVFJYDIBEM-QMMMGPOBSA-N -1 0 325.723 3.588 20 0 EHADRM C[C@H](Cn1ccc2ccccc21)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001589084204 955889269 /nfs/dbraw/zinc/88/92/69/955889269.db2.gz YIPZVHKUZWKBGH-OAHLLOKOSA-N -1 0 342.439 3.571 20 0 EHADRM C[C@@H](NC(=O)[C@]1(C(=O)[O-])CC1(C)C)c1cccc(Cl)c1Cl ZINC001589089151 955922383 /nfs/dbraw/zinc/92/23/83/955922383.db2.gz FGASPWSFTKOEQF-GLEZIHRCSA-N -1 0 330.211 3.672 20 0 EHADRM C[C@@H](NC(=O)C1(C(=O)[O-])CCCCC1)c1nc2ccccc2s1 ZINC001589090313 955929599 /nfs/dbraw/zinc/92/95/99/955929599.db2.gz PTIBSPKDAGMMQM-LLVKDONJSA-N -1 0 332.425 3.509 20 0 EHADRM C[C@H](NC(=O)C1(C(=O)[O-])CCCCC1)c1nc2ccccc2s1 ZINC001589090314 955929910 /nfs/dbraw/zinc/92/99/10/955929910.db2.gz PTIBSPKDAGMMQM-NSHDSACASA-N -1 0 332.425 3.509 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)o1 ZINC000864106046 955936092 /nfs/dbraw/zinc/93/60/92/955936092.db2.gz TZRLRPVCXZGJQH-XLNAKTSKSA-N -1 0 337.375 3.670 20 0 EHADRM CCc1cc2c(CC(=O)N([C@H](C)C(=O)[O-])C3CC3)csc2s1 ZINC000864116312 955944191 /nfs/dbraw/zinc/94/41/91/955944191.db2.gz PFFVNHSFMIEZQP-SECBINFHSA-N -1 0 337.466 3.532 20 0 EHADRM CC1(C)[C@H](C(=O)N2CCCC[C@H]2CCC(=O)[O-])[C@H]1c1ccccc1 ZINC000864132399 955956324 /nfs/dbraw/zinc/95/63/24/955956324.db2.gz SAIJIKSDPYVRJR-JQHSSLGASA-N -1 0 329.440 3.672 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)/C=C/c2ccc(C(=O)[O-])o2)C1 ZINC000864137955 955960604 /nfs/dbraw/zinc/96/06/04/955960604.db2.gz QRZNDFBWFUCMIB-JIAJSWDESA-N -1 0 343.354 3.740 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cccc(SC(F)F)c2)CC[C@@H]1C(=O)[O-] ZINC000864592598 955998346 /nfs/dbraw/zinc/99/83/46/955998346.db2.gz YOERWPCDLZSQGQ-SKDRFNHKSA-N -1 0 344.383 3.576 20 0 EHADRM C[C@H](NC(=O)NC1(c2ccccc2)CCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589103885 956025041 /nfs/dbraw/zinc/02/50/41/956025041.db2.gz UNHQRUSOEBLSNA-CWRNSKLLSA-N -1 0 344.455 3.500 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000872718369 956060836 /nfs/dbraw/zinc/06/08/36/956060836.db2.gz PKVSZDZUDOOQNQ-SJLPKXTDSA-N -1 0 331.456 3.667 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)Nc2ccc([C@H](F)C(F)(F)F)cc2)C1 ZINC000887394533 956259034 /nfs/dbraw/zinc/25/90/34/956259034.db2.gz UPBKTOCSFRHCEI-USWWRNFRSA-N -1 0 348.296 3.634 20 0 EHADRM Cc1nc(C2CCC2)sc1CC(=O)Nc1ccccc1CC(=O)[O-] ZINC000901438933 956310040 /nfs/dbraw/zinc/31/00/40/956310040.db2.gz JVHRFDLBNSGYBO-UHFFFAOYSA-N -1 0 344.436 3.527 20 0 EHADRM COC1(CNC(=O)Nc2cccc(CCC(=O)[O-])c2)CCCCCC1 ZINC001593945903 956328345 /nfs/dbraw/zinc/32/83/45/956328345.db2.gz QRWVGGFNDLXFIP-UHFFFAOYSA-N -1 0 348.443 3.565 20 0 EHADRM CC(C)c1cnc(NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])s1 ZINC001603105696 972177712 /nfs/dbraw/zinc/17/77/12/972177712.db2.gz CNABJEFMENKWNK-SNVBAGLBSA-N -1 0 327.450 3.668 20 0 EHADRM COc1ccc([C@H](NC(=O)c2coc(/C=C\C(=O)[O-])c2)C(C)C)cc1 ZINC000901584634 956353847 /nfs/dbraw/zinc/35/38/47/956353847.db2.gz NLNWMNBUKFLWPY-CNZFZVQHSA-N -1 0 343.379 3.513 20 0 EHADRM Cc1ccccc1C1CCN(C(=O)c2coc(/C=C/C(=O)[O-])c2)CC1 ZINC000901613034 956375584 /nfs/dbraw/zinc/37/55/84/956375584.db2.gz GEQYIGSPIOLFFR-VOTSOKGWSA-N -1 0 339.391 3.706 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)NCC1(C(=O)[O-])CCC1)CCC2 ZINC001603107041 972182958 /nfs/dbraw/zinc/18/29/58/972182958.db2.gz RFSPDHZUCJJJRC-KRWDZBQOSA-N -1 0 344.455 3.742 20 0 EHADRM C[C@@H](c1ccc(C(=O)Nc2cccnc2C(=O)[O-])cc1)C(F)(F)F ZINC001589174681 956483465 /nfs/dbraw/zinc/48/34/65/956483465.db2.gz NYSHSYFTMCUPDU-VIFPVBQESA-N -1 0 338.285 3.698 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1Cl)N(C)Cc1cc(C(=O)[O-])nn1C ZINC001589174894 956486635 /nfs/dbraw/zinc/48/66/35/956486635.db2.gz TXTODTBMESQKJJ-VIFPVBQESA-N -1 0 342.226 3.618 20 0 EHADRM CC(C)Oc1cccc([C@@H](C)NC(=O)c2coc(/C=C/C(=O)[O-])c2)c1 ZINC000901834492 956495823 /nfs/dbraw/zinc/49/58/23/956495823.db2.gz XJSRHEAXWGECPJ-SBDDDAINSA-N -1 0 343.379 3.656 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)co1 ZINC000901882553 956515871 /nfs/dbraw/zinc/51/58/71/956515871.db2.gz MGUAXNXYQXKRAE-HJWRWDBZSA-N -1 0 340.379 3.620 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)N[C@H]2CCC[C@H](c3ccccc3)CC2)C1 ZINC001589191772 956599151 /nfs/dbraw/zinc/59/91/51/956599151.db2.gz ZEJOWFNZVSVEAM-ZWOKBUDYSA-N -1 0 344.455 3.609 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)NC2(Cc3cccc(Cl)c3)CC2)o1 ZINC001594669449 956603959 /nfs/dbraw/zinc/60/39/59/956603959.db2.gz BSBCBASNAKUPFI-FNORWQNLSA-N -1 0 345.782 3.536 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)c2ccccc2OC2CCCCC2)CC1 ZINC001589196791 956617904 /nfs/dbraw/zinc/61/79/04/956617904.db2.gz XZUBNAJMVQSSHQ-UHFFFAOYSA-N -1 0 345.439 3.725 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)O[C@H](C2CCCC2)C(F)(F)F)o1 ZINC001594674369 956645875 /nfs/dbraw/zinc/64/58/75/956645875.db2.gz PUHNZHNNZGWKLE-FWPCIQOSSA-N -1 0 332.274 3.655 20 0 EHADRM O=C([O-])c1c(NC(=O)CC(C2CCC2)C2CCC2)nc2ccccn21 ZINC001594675943 956663193 /nfs/dbraw/zinc/66/31/93/956663193.db2.gz OJEJBOMQMUWGGV-UHFFFAOYSA-N -1 0 341.411 3.578 20 0 EHADRM O=C([O-])c1cc(NC(=O)C[C@@H]2CCCc3ccccc32)ccc1O ZINC001594677857 956673462 /nfs/dbraw/zinc/67/34/62/956673462.db2.gz XRAGNAVPYZSFOP-ZDUSSCGKSA-N -1 0 325.364 3.539 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)Nc1ccc2c(c1)C(=O)CCCC2 ZINC001589207388 956675477 /nfs/dbraw/zinc/67/54/77/956675477.db2.gz ZYZONNMUXFXVIG-UHFFFAOYSA-N -1 0 343.423 3.671 20 0 EHADRM O=C([O-])CCCCC(=O)N[C@@H](CCc1ccccc1)c1ccccn1 ZINC000902269075 956691968 /nfs/dbraw/zinc/69/19/68/956691968.db2.gz FEJMYFRMABVTPJ-SFHVURJKSA-N -1 0 340.423 3.517 20 0 EHADRM Cc1cc(CCCC(=O)NCc2ccccc2C(=O)[O-])c(C)s1 ZINC000902368739 956711342 /nfs/dbraw/zinc/71/13/42/956711342.db2.gz KDNHPCWIVLGJTH-UHFFFAOYSA-N -1 0 331.437 3.702 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC001589216956 956729022 /nfs/dbraw/zinc/72/90/22/956729022.db2.gz BPOJCQZZEDGDGA-SFHVURJKSA-N -1 0 335.375 3.587 20 0 EHADRM CC1(C)CC[C@H](NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)c2ccccc21 ZINC001589225186 956787564 /nfs/dbraw/zinc/78/75/64/956787564.db2.gz UJHDVOLSNABCMU-OXJNMPFZSA-N -1 0 327.424 3.726 20 0 EHADRM CC1(C)CCCC[C@@H]1C(=O)Nc1sc2c(c1C(=O)[O-])COCC2 ZINC001589226092 956796812 /nfs/dbraw/zinc/79/68/12/956796812.db2.gz XQPRWLSVUKUTGS-LLVKDONJSA-N -1 0 337.441 3.674 20 0 EHADRM CSCCCCC(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21 ZINC000902825361 956815298 /nfs/dbraw/zinc/81/52/98/956815298.db2.gz LYEPKRSFBGSDJP-CQSZACIVSA-N -1 0 335.469 3.590 20 0 EHADRM CC1(C)CN(C(=O)NCc2cccc(C(=O)[O-])c2)c2cc(F)ccc21 ZINC001589230422 956820057 /nfs/dbraw/zinc/82/00/57/956820057.db2.gz WIWKCFMSESLGIA-UHFFFAOYSA-N -1 0 342.370 3.531 20 0 EHADRM CC1(CCC(=O)Nc2cc(C(=O)[O-])ccc2Br)CC1 ZINC001589239828 956869181 /nfs/dbraw/zinc/86/91/81/956869181.db2.gz QYEVKGVBERKFOC-UHFFFAOYSA-N -1 0 326.190 3.666 20 0 EHADRM CCOc1ccc(NC(=O)CSCc2cccc(C(=O)[O-])c2)cc1 ZINC000005550412 956873511 /nfs/dbraw/zinc/87/35/11/956873511.db2.gz NLNLFLBXRGJFQG-UHFFFAOYSA-N -1 0 345.420 3.655 20 0 EHADRM C[C@@H](CCCC(F)(F)F)NC(=O)Nc1ccccc1CC(=O)[O-] ZINC001603141893 972232272 /nfs/dbraw/zinc/23/22/72/972232272.db2.gz GQEYKDNUFZDWPE-JTQLQIEISA-N -1 0 332.322 3.556 20 0 EHADRM Cc1cccc(NC(=O)CSCc2ccc(C(=O)[O-])cc2)c1C ZINC000013066148 956922144 /nfs/dbraw/zinc/92/21/44/956922144.db2.gz GUQOZHXFSJGJCK-UHFFFAOYSA-N -1 0 329.421 3.874 20 0 EHADRM O=C([O-])c1cccc(CSc2nnc3sc4ccccc4n23)c1 ZINC000013061866 956922205 /nfs/dbraw/zinc/92/22/05/956922205.db2.gz OETXRMRNQWNRIF-UHFFFAOYSA-N -1 0 341.417 3.935 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2sccc2s1)c1ccc(F)cc1 ZINC001594716351 956932101 /nfs/dbraw/zinc/93/21/01/956932101.db2.gz RPNZVVFJIQUJIT-CYBMUJFWSA-N -1 0 335.381 3.658 20 0 EHADRM CC(C)(C)N(Cc1ccccc1)C(=O)COc1cccc(C(=O)[O-])c1 ZINC000013080080 956932190 /nfs/dbraw/zinc/93/21/90/956932190.db2.gz RUDJRELZZBNXIC-UHFFFAOYSA-N -1 0 341.407 3.591 20 0 EHADRM C[C@@H]1CCCC[C@H]1NC(=O)COc1c(C(=O)[O-])ccc2ccccc21 ZINC000013086238 956938979 /nfs/dbraw/zinc/93/89/79/956938979.db2.gz IJBZGSWKDBQLHY-CXAGYDPISA-N -1 0 341.407 3.612 20 0 EHADRM CC(C)CCOc1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000013092107 956942960 /nfs/dbraw/zinc/94/29/60/956942960.db2.gz UGDRHXSPVWBGEZ-UHFFFAOYSA-N -1 0 341.407 3.740 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc2ccccc2c1)c1ccc(F)cc1 ZINC000013176062 956956334 /nfs/dbraw/zinc/95/63/34/956956334.db2.gz IHOBHMPOQNVKSZ-SFHVURJKSA-N -1 0 337.350 3.925 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccccc2OC(F)F)cc1 ZINC000013180215 956963737 /nfs/dbraw/zinc/96/37/37/956963737.db2.gz LQYDXYAJNYYWJH-AWEZNQCLSA-N -1 0 349.333 3.542 20 0 EHADRM CC1(c2ccccc2)CC(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])C1 ZINC001589253653 956976396 /nfs/dbraw/zinc/97/63/96/956976396.db2.gz XXVOAQGRXBSINK-OHTSDLOESA-N -1 0 344.455 3.536 20 0 EHADRM C[C@H](CCc1ccco1)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000013192767 956978406 /nfs/dbraw/zinc/97/84/06/956978406.db2.gz OGDAVZWXUDVOEJ-UVMWJGKXSA-N -1 0 330.340 3.719 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1coc(C2CCCCC2)n1 ZINC000909063156 957001508 /nfs/dbraw/zinc/00/15/08/957001508.db2.gz RFGFRPIFZAPZJZ-UHFFFAOYSA-N -1 0 328.368 3.602 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCC[C@H](C3CC3)C2)c2ccccc21 ZINC001594726358 957008641 /nfs/dbraw/zinc/00/86/41/957008641.db2.gz MKURRRFVVBZFOM-MJSCVDMRSA-N -1 0 342.439 3.568 20 0 EHADRM CC(C)C[C@H](CNC(=O)C[C@H](C)c1c[nH]c2ccccc21)C(=O)[O-] ZINC000909291766 957010859 /nfs/dbraw/zinc/01/08/59/957010859.db2.gz LZKKQRDZRFHUGQ-UONOGXRCSA-N -1 0 330.428 3.525 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1c[nH]cc1-c1ccccc1F)CC(=O)[O-] ZINC000909874666 957038140 /nfs/dbraw/zinc/03/81/40/957038140.db2.gz IDXMSEHYMCTRPN-ZDUSSCGKSA-N -1 0 346.402 3.688 20 0 EHADRM Cc1ccc(SCC(=O)N[C@H](CC(=O)[O-])c2cccs2)c(C)c1 ZINC000013388112 957039049 /nfs/dbraw/zinc/03/90/49/957039049.db2.gz KETWOKYKEMODBG-CYBMUJFWSA-N -1 0 349.477 3.789 20 0 EHADRM O=C([O-])[C@@H]1CCCN(c2ncnc3scc(-c4cccs4)c32)C1 ZINC000910309052 957045181 /nfs/dbraw/zinc/04/51/81/957045181.db2.gz JEFMQIXWLIDYTN-SNVBAGLBSA-N -1 0 345.449 3.721 20 0 EHADRM Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000914730925 957094348 /nfs/dbraw/zinc/09/43/48/957094348.db2.gz KKTNGJVBNDYCEK-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)C2(CCc3ccccc3)CC2)C1 ZINC000923069789 957099770 /nfs/dbraw/zinc/09/97/70/957099770.db2.gz MULCDPGMOZSODH-KRWDZBQOSA-N -1 0 329.440 3.503 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(NC(=O)C(C)C)cc1 ZINC000019814304 957121059 /nfs/dbraw/zinc/12/10/59/957121059.db2.gz OIDTXAUSMMBDAF-UHFFFAOYSA-N -1 0 340.379 3.540 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000032084572 957171796 /nfs/dbraw/zinc/17/17/96/957171796.db2.gz IJZNXRDTMWRAPX-UHFFFAOYSA-N -1 0 347.436 3.693 20 0 EHADRM CC(C)(C)[C@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)c1ccccc1 ZINC001120569583 957204605 /nfs/dbraw/zinc/20/46/05/957204605.db2.gz CAEZFLNREOWOIX-GVDBMIGSSA-N -1 0 344.455 3.526 20 0 EHADRM C[C@H](c1ccccc1)N(C)C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001121843431 957220064 /nfs/dbraw/zinc/22/00/64/957220064.db2.gz JIMLWHGBFULLOL-XWIAVFTESA-N -1 0 338.407 3.702 20 0 EHADRM CCC[C@@](C)(NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000036338187 957230829 /nfs/dbraw/zinc/23/08/29/957230829.db2.gz OHOKYZWUUWTLSM-MEBBXXQBSA-N -1 0 329.849 3.580 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000037450463 957293386 /nfs/dbraw/zinc/29/33/86/957293386.db2.gz DAFLGYNMRHIQPC-UHFFFAOYSA-N -1 0 330.192 3.934 20 0 EHADRM C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccsc1C(=O)[O-] ZINC000037451836 957298189 /nfs/dbraw/zinc/29/81/89/957298189.db2.gz IJFWOMQMGLZVIL-QMMMGPOBSA-N -1 0 325.773 3.506 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)CCSc1ccc(Cl)cc1 ZINC000037590052 957312098 /nfs/dbraw/zinc/31/20/98/957312098.db2.gz PPJZXDOCBJCIHU-LLVKDONJSA-N -1 0 329.849 3.534 20 0 EHADRM O=C([O-])c1cc(NC(=O)NC[C@@H]2CCCC2(F)F)ccc1Cl ZINC000390000651 972260232 /nfs/dbraw/zinc/26/02/32/972260232.db2.gz PRCWYMDEGLQZKT-QMMMGPOBSA-N -1 0 332.734 3.595 20 0 EHADRM C[C@H](CNC(=O)C1(Cc2cccc(Cl)c2)CCCCC1)C(=O)[O-] ZINC001603168063 972266863 /nfs/dbraw/zinc/26/68/63/972266863.db2.gz JFNDAWRPBZNAEV-CYBMUJFWSA-N -1 0 337.847 3.670 20 0 EHADRM CCN(C(=O)CCSc1ccccc1Cl)C(C)(C)C(=O)[O-] ZINC000061149413 957574453 /nfs/dbraw/zinc/57/44/53/957574453.db2.gz UAHMMUZXNIVUPF-UHFFFAOYSA-N -1 0 329.849 3.534 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000062872209 957615641 /nfs/dbraw/zinc/61/56/41/957615641.db2.gz CLTIEQPWVNRRKP-CQSZACIVSA-N -1 0 331.199 3.712 20 0 EHADRM Cc1cc(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)c(C)cc1Cl ZINC001594279094 957729075 /nfs/dbraw/zinc/72/90/75/957729075.db2.gz JKRLTCABEPXZBP-LJQANCHMSA-N -1 0 345.826 3.729 20 0 EHADRM Cc1cc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)nn1C(C)C ZINC001594281480 957750216 /nfs/dbraw/zinc/75/02/16/957750216.db2.gz PRRDTBVJGBFMKS-UHFFFAOYSA-N -1 0 347.440 3.663 20 0 EHADRM Cc1cc(CSc2ccc(Br)cn2)oc1C(=O)[O-] ZINC000079421638 957756177 /nfs/dbraw/zinc/75/61/77/957756177.db2.gz UBHJBHCCCZLCCB-UHFFFAOYSA-N -1 0 328.187 3.736 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@H](c2ccccc2)C(F)(F)F)c1 ZINC001594284449 957766271 /nfs/dbraw/zinc/76/62/71/957766271.db2.gz CWZSFXYYXPUXMK-CQSZACIVSA-N -1 0 337.297 3.727 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2cc(-c3ccccc3F)no2)c1 ZINC001594288594 957800373 /nfs/dbraw/zinc/80/03/73/957800373.db2.gz ZAVGXOFTPNUCJB-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)ccn1 ZINC001574790404 957804518 /nfs/dbraw/zinc/80/45/18/957804518.db2.gz RYPIFURHTHAVTI-DLBZAZTESA-N -1 0 332.359 3.675 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Oc2ccc(OCC3CC3)cc2)c1 ZINC001594289065 957807385 /nfs/dbraw/zinc/80/73/85/957807385.db2.gz IYZKPAJRNYSPSO-UHFFFAOYSA-N -1 0 326.348 3.701 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N2CC[C@@H]2c2ccc(Cl)cc2)o1 ZINC001574799090 957828670 /nfs/dbraw/zinc/82/86/70/957828670.db2.gz AYYCICLWPSWHHP-IZPAUZPXSA-N -1 0 331.755 3.618 20 0 EHADRM CON(C(=O)c1ccc(Oc2cccc(Cl)c2)cc1)[C@H](C)C(=O)[O-] ZINC001594038983 957843844 /nfs/dbraw/zinc/84/38/44/957843844.db2.gz JACKDQINVINGPE-LLVKDONJSA-N -1 0 349.770 3.609 20 0 EHADRM CCN(C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21)C1CCCCC1 ZINC001340586535 957942894 /nfs/dbraw/zinc/94/28/94/957942894.db2.gz WRJADMVFADRNAG-IRXDYDNUSA-N -1 0 330.428 3.664 20 0 EHADRM CSc1ccc(C)c(C(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC000390996156 972311338 /nfs/dbraw/zinc/31/13/38/972311338.db2.gz RUHBHBORKWKCFA-UHFFFAOYSA-N -1 0 329.421 3.986 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)/C=C/c2ccc(SC)s2)C1 ZINC001341236613 957951293 /nfs/dbraw/zinc/95/12/93/957951293.db2.gz CWWLDVVBGFTQEB-YERXGYGTSA-N -1 0 339.482 3.587 20 0 EHADRM COc1cc([C@@H](C)NC(=O)C2(CC(=O)[O-])CCC2)cc2ccccc21 ZINC001594053280 958006397 /nfs/dbraw/zinc/00/63/97/958006397.db2.gz VYXYQGWHLZHVAB-CYBMUJFWSA-N -1 0 341.407 3.671 20 0 EHADRM Cc1cc(NC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)ccc1C(F)(F)F ZINC001594318161 958094137 /nfs/dbraw/zinc/09/41/37/958094137.db2.gz JNRBKHRTLUFZFP-QWRGUYRKSA-N -1 0 344.333 3.731 20 0 EHADRM Cc1cc(NC(=O)NC[C@H]2CSc3ccccc32)ccc1C(=O)[O-] ZINC001594320098 958118632 /nfs/dbraw/zinc/11/86/32/958118632.db2.gz MVSCKBDJHWADJN-LBPRGKRZSA-N -1 0 342.420 3.704 20 0 EHADRM COc1cc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)c(Cl)c(OC)c1 ZINC001594065974 958132163 /nfs/dbraw/zinc/13/21/63/958132163.db2.gz YTVPOLPXHKSVBO-UHFFFAOYSA-N -1 0 349.770 3.616 20 0 EHADRM Cc1cc(NC(=O)c2cccc(C(F)(F)F)c2N)ccc1C(=O)[O-] ZINC001594325617 958167853 /nfs/dbraw/zinc/16/78/53/958167853.db2.gz SOAGCHBPQASNPK-UHFFFAOYSA-N -1 0 338.285 3.547 20 0 EHADRM COc1ccc(-n2c3ccccc3nc2S[C@@H](C)C(=O)[O-])cc1 ZINC001594074737 958206237 /nfs/dbraw/zinc/20/62/37/958206237.db2.gz UIGNPMBFTBWEFT-NSHDSACASA-N -1 0 328.393 3.599 20 0 EHADRM COc1ccc(C(=O)Nc2sccc2C(=O)[O-])c(OCC(C)C)c1 ZINC001594080063 958250772 /nfs/dbraw/zinc/25/07/72/958250772.db2.gz KGDRXZSCZZWHLQ-UHFFFAOYSA-N -1 0 349.408 3.742 20 0 EHADRM O=C([O-])c1ccc([N+](=O)[O-])c(Oc2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000391246627 972325939 /nfs/dbraw/zinc/32/59/39/972325939.db2.gz LOTIFEYKEUCVDB-UHFFFAOYSA-N -1 0 338.659 3.647 20 0 EHADRM O=C([O-])c1sccc1COc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000391379979 972332389 /nfs/dbraw/zinc/33/23/89/972332389.db2.gz VUDLDSBJGUTEAZ-UHFFFAOYSA-N -1 0 347.270 3.952 20 0 EHADRM CC[C@@](C)(NC(=O)CCCSc1ccc(Cl)cc1)C(=O)[O-] ZINC000094220179 958265424 /nfs/dbraw/zinc/26/54/24/958265424.db2.gz HGHNEYIKSLSFCD-OAHLLOKOSA-N -1 0 329.849 3.582 20 0 EHADRM Cc1cc(Cl)cc(C(=O)N2CCc3c(cccc3C(=O)[O-])C2)c1 ZINC000391394445 972333226 /nfs/dbraw/zinc/33/32/26/972333226.db2.gz VCCDXHCNRPTRNL-UHFFFAOYSA-N -1 0 329.783 3.545 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)c1 ZINC001594349360 958333015 /nfs/dbraw/zinc/33/30/15/958333015.db2.gz AXYRLYXKMZHBNA-OAGGEKHMSA-N -1 0 347.455 3.597 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2cncc(C(=O)[O-])c2)c1 ZINC001594349469 958335972 /nfs/dbraw/zinc/33/59/72/958335972.db2.gz IJJVINMIHFIPMK-CYBMUJFWSA-N -1 0 342.395 3.618 20 0 EHADRM Cc1ccc(CC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1Cl ZINC001594353963 958394193 /nfs/dbraw/zinc/39/41/93/958394193.db2.gz XUTMYWGXCOMVNI-WBVHZDCISA-N -1 0 343.810 3.620 20 0 EHADRM Cc1ccc([C@H]2CCC[C@@H]2OC(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC001594354982 958406188 /nfs/dbraw/zinc/40/61/88/958406188.db2.gz YYRJNCAYWKIALR-WBVHZDCISA-N -1 0 325.364 3.581 20 0 EHADRM Cc1ccc(CN(CC(C)C)C(=O)NCC2(C(=O)[O-])CCC2)c(C)c1 ZINC001594360217 958442523 /nfs/dbraw/zinc/44/25/23/958442523.db2.gz ROOJQDBJHXFUPH-UHFFFAOYSA-N -1 0 346.471 3.726 20 0 EHADRM Cc1ccc(CNC(=O)c2cccc(OCC(=O)[O-])c2)c2ccccc12 ZINC001594361488 958454032 /nfs/dbraw/zinc/45/40/32/958454032.db2.gz RHWOIJVVXNFUAV-UHFFFAOYSA-N -1 0 349.386 3.542 20 0 EHADRM Cc1ccc([C@@H]2C[C@H]2NC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC001594377971 958606761 /nfs/dbraw/zinc/60/67/61/958606761.db2.gz MDBUSEWKWDGUTD-XJKSGUPXSA-N -1 0 328.343 3.510 20 0 EHADRM Cc1ccc2c(CC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])coc2c1 ZINC001594382110 958641149 /nfs/dbraw/zinc/64/11/49/958641149.db2.gz SOVRMUXFFHKOLJ-HNNXBMFYSA-N -1 0 331.412 3.679 20 0 EHADRM COc1cccc(C[C@@H](C)CC(=O)NC2(CC(=O)[O-])CCCCC2)c1 ZINC001594126251 958641395 /nfs/dbraw/zinc/64/13/95/958641395.db2.gz LBOQKRSEYFVKBI-OAHLLOKOSA-N -1 0 347.455 3.558 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)Nc1ccc([C@@H]2CCOC2)cc1)C(=O)[O-] ZINC001573394210 958709933 /nfs/dbraw/zinc/70/99/33/958709933.db2.gz BSQSCRDQTFGCEU-GDBMZVCRSA-N -1 0 348.443 3.592 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)C1CC(c2ccc(F)cc2)C1)C(=O)[O-] ZINC001573394637 958710677 /nfs/dbraw/zinc/71/06/77/958710677.db2.gz GIALFCIZRBILPD-ZBCRRDGASA-N -1 0 335.419 3.715 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1ccc(O[C@H]2CC2(F)F)cc1 ZINC001594391164 958722337 /nfs/dbraw/zinc/72/23/37/958722337.db2.gz XZLPUPZONKKZKZ-AWEZNQCLSA-N -1 0 347.317 3.732 20 0 EHADRM Cc1cccc([C@H](NC(=O)C[C@@H](C)c2ccccc2F)C(=O)[O-])c1 ZINC001594391268 958724661 /nfs/dbraw/zinc/72/46/61/958724661.db2.gz BCORBDCBDHDQEH-ACJLOTCBSA-N -1 0 329.371 3.570 20 0 EHADRM Cc1cccc([C@H](NCc2nc3ccc(F)cc3s2)C(=O)[O-])c1 ZINC001594397552 958782493 /nfs/dbraw/zinc/78/24/93/958782493.db2.gz IWWWBVZHQOEEDW-INIZCTEOSA-N -1 0 330.384 3.659 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)c1cc2ccccc2cc1O)C(=O)[O-] ZINC001573425532 958787511 /nfs/dbraw/zinc/78/75/11/958787511.db2.gz RTGCCCHIPNPBBF-OAHLLOKOSA-N -1 0 329.396 3.555 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC001573425551 958788729 /nfs/dbraw/zinc/78/87/29/958788729.db2.gz SMNODRUPEBHOAM-SJORKVTESA-N -1 0 331.456 3.605 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cc(Cl)ccc2Br)o1 ZINC000132839013 958803561 /nfs/dbraw/zinc/80/35/61/958803561.db2.gz AEDYVOBWBRCBKR-UHFFFAOYSA-N -1 0 344.548 3.646 20 0 EHADRM O=C([O-])c1cc(NC(=O)CSc2ccc3c(c2)CCC3)ccc1F ZINC000391829516 972380381 /nfs/dbraw/zinc/38/03/81/972380381.db2.gz FTDKTIONXZGBEU-UHFFFAOYSA-N -1 0 345.395 3.743 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2ccccc2C(F)(F)F)C(=O)[O-])c1 ZINC001594400216 958849274 /nfs/dbraw/zinc/84/92/74/958849274.db2.gz ZYLJHYLYBRELCU-CQSZACIVSA-N -1 0 337.297 3.570 20 0 EHADRM CC[C@H]1CCC[C@@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000391839157 972381622 /nfs/dbraw/zinc/38/16/22/972381622.db2.gz URJDKRGBGRBRDA-VHSXEESVSA-N -1 0 326.343 3.753 20 0 EHADRM Cc1cccc(C)c1CN(CC(C)C)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001594400852 958854959 /nfs/dbraw/zinc/85/49/59/958854959.db2.gz SXSSRNOBVIDBFU-SJORKVTESA-N -1 0 346.471 3.724 20 0 EHADRM Cc1cccc(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)c1Br ZINC001594405723 958904806 /nfs/dbraw/zinc/90/48/06/958904806.db2.gz RIMNFFXWMCOXGH-LBPRGKRZSA-N -1 0 340.217 3.587 20 0 EHADRM CC(C)(C)c1cccc(NC(=O)Cc2ccccc2C(=O)[O-])c1O ZINC001573463962 958932078 /nfs/dbraw/zinc/93/20/78/958932078.db2.gz QWPXLELAJBVBFZ-UHFFFAOYSA-N -1 0 327.380 3.569 20 0 EHADRM Cc1cccc(C[C@@]2(C)CCCN2C(=O)NCCC(C)(C)C(=O)[O-])c1 ZINC001594409737 958938478 /nfs/dbraw/zinc/93/84/78/958938478.db2.gz RTFLKKBVAHAKFJ-HXUWFJFHSA-N -1 0 346.471 3.603 20 0 EHADRM Cc1cccc2cc(C(=O)N3C[C@@H](C(=O)[O-])CC[C@H]3C)c(Cl)nc12 ZINC001594412374 958956859 /nfs/dbraw/zinc/95/68/59/958956859.db2.gz CZUVVMPHPDOQIJ-YPMHNXCESA-N -1 0 346.814 3.522 20 0 EHADRM Cc1cccc2cc(C(=O)Nc3ccnc(C(=O)[O-])c3)c(Cl)nc12 ZINC001594413350 958967668 /nfs/dbraw/zinc/96/76/68/958967668.db2.gz JGMOMCDKFHPUCI-UHFFFAOYSA-N -1 0 341.754 3.542 20 0 EHADRM Cc1cc(NC(=O)N2CCC(CCC(=O)[O-])CC2)c(Cl)cc1F ZINC000391925976 972390952 /nfs/dbraw/zinc/39/09/52/972390952.db2.gz ZCQPUWSULVADRS-UHFFFAOYSA-N -1 0 342.798 3.896 20 0 EHADRM Cc1cccc2sc(NC(=O)/C=C/c3ccc(C(=O)[O-])o3)nc21 ZINC001594414025 958981201 /nfs/dbraw/zinc/98/12/01/958981201.db2.gz SQJWDTLSFHNLJC-SOFGYWHQSA-N -1 0 328.349 3.548 20 0 EHADRM Cc1ccccc1[C@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001594415837 959000566 /nfs/dbraw/zinc/00/05/66/959000566.db2.gz RQXXXIBLSPBHGX-NSHDSACASA-N -1 0 345.420 3.570 20 0 EHADRM Cc1ccccc1C1=CCN(C(=O)C2(C(=O)[O-])CCCCCC2)C1 ZINC001594417090 959013156 /nfs/dbraw/zinc/01/31/56/959013156.db2.gz SDMJTLJAKMQIOF-UHFFFAOYSA-N -1 0 327.424 3.646 20 0 EHADRM Cc1ccccc1C[C@H]1CCCN1C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001594417455 959019089 /nfs/dbraw/zinc/01/90/89/959019089.db2.gz JNBJHJSDYUKRPV-PXUDHTSWSA-N -1 0 339.391 3.533 20 0 EHADRM Cc1ccccc1COC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001594418171 959032342 /nfs/dbraw/zinc/03/23/42/959032342.db2.gz MPLWJLWZHRJCQG-DLBZAZTESA-N -1 0 325.364 3.534 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)c2c(F)cccc2Cl)c2ccccc21 ZINC001605745043 972396083 /nfs/dbraw/zinc/39/60/83/972396083.db2.gz YKRQMEZKJLPNAU-FZMZJTMJSA-N -1 0 333.746 3.522 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)Cc1ccccc1C(=O)[O-])C(C)(C)C ZINC001594420550 959057426 /nfs/dbraw/zinc/05/74/26/959057426.db2.gz LCGFZVVRZRAOTC-SFHVURJKSA-N -1 0 340.423 3.534 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@H]1CCC[C@H]1Cc1ccccc1)C(=O)[O-] ZINC001573509710 959086933 /nfs/dbraw/zinc/08/69/33/959086933.db2.gz QQQYWFVHHGWZFA-KSZLIROESA-N -1 0 331.456 3.509 20 0 EHADRM O=C([O-])c1c(NC(=O)c2sccc2Cl)sc2c1CCC2 ZINC000158997419 959104004 /nfs/dbraw/zinc/10/40/04/959104004.db2.gz YBKWYMUJWQLCSD-UHFFFAOYSA-N -1 0 327.814 3.902 20 0 EHADRM CC(C)C[C@H](CNc1ncnc2sc3c(c21)CCCC3)C(=O)[O-] ZINC001573516777 959103778 /nfs/dbraw/zinc/10/37/78/959103778.db2.gz IHGPTNCFKREMPT-LLVKDONJSA-N -1 0 333.457 3.729 20 0 EHADRM CC(C)CCO[C@@H](C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001573517964 959115016 /nfs/dbraw/zinc/11/50/16/959115016.db2.gz LBZXAQVRYPSZFD-VIFPVBQESA-N -1 0 331.771 3.567 20 0 EHADRM CC(C)CN(CCc1ccccc1)C(=O)c1ccc(C(=O)[O-])cc1 ZINC001573518372 959119721 /nfs/dbraw/zinc/11/97/21/959119721.db2.gz WZWPQHGHYNDOCP-UHFFFAOYSA-N -1 0 325.408 3.726 20 0 EHADRM COc1ccc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c(C(=O)[O-])c1 ZINC000392057580 972405338 /nfs/dbraw/zinc/40/53/38/972405338.db2.gz MDZKAYLKSOHFKR-BFHYXJOUSA-N -1 0 331.412 3.938 20 0 EHADRM Cc1cnc2c(NC(=O)NC3(CC(=O)[O-])CCC3)cccc2c1Cl ZINC001594429703 959164317 /nfs/dbraw/zinc/16/43/17/959164317.db2.gz AOBNQTAPACGVKS-UHFFFAOYSA-N -1 0 347.802 3.716 20 0 EHADRM CSc1cc(NC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)ccc1Cl ZINC001594190034 959165878 /nfs/dbraw/zinc/16/58/78/959165878.db2.gz NVHVNMDXDKJLDD-KOLCDFICSA-N -1 0 342.848 3.636 20 0 EHADRM CSc1ccc(CCC(=O)NC[C@H](CC(=O)[O-])CC(C)C)cc1 ZINC001594194063 959184747 /nfs/dbraw/zinc/18/47/47/959184747.db2.gz ADOIUELVRQHDAJ-HNNXBMFYSA-N -1 0 337.485 3.594 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000392094071 972409114 /nfs/dbraw/zinc/40/91/14/972409114.db2.gz VKPCYUHERFWFSQ-JTQLQIEISA-N -1 0 334.322 3.854 20 0 EHADRM Cc1csc(N(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c2ccccc2)n1 ZINC001594437993 959251453 /nfs/dbraw/zinc/25/14/53/959251453.db2.gz LYVQBPZWMMLCLP-QWHCGFSZSA-N -1 0 330.409 3.617 20 0 EHADRM C[C@@H](NC(=O)c1coc(/C=C\C(=O)[O-])c1)c1ccc(F)cc1Cl ZINC001594206556 959273861 /nfs/dbraw/zinc/27/38/61/959273861.db2.gz VRLOKKGGUKPAPC-AZVKUDOFSA-N -1 0 337.734 3.661 20 0 EHADRM CC(C)c1csc(NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])n1 ZINC001573565432 959287032 /nfs/dbraw/zinc/28/70/32/959287032.db2.gz ZHSCQYAJOPPWKW-SNVBAGLBSA-N -1 0 327.450 3.668 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)NCCC(C)(C)C(=O)[O-])CC2 ZINC001573567336 959294045 /nfs/dbraw/zinc/29/40/45/959294045.db2.gz UBSJDENCTWASFK-INIZCTEOSA-N -1 0 332.444 3.597 20 0 EHADRM CC(C)c1ccc2c(c1)CCN(C(=O)/C=C/c1ccc(C(=O)[O-])o1)C2 ZINC001573567338 959294556 /nfs/dbraw/zinc/29/45/56/959294556.db2.gz UCPSCYUTGFSJLL-SOFGYWHQSA-N -1 0 339.391 3.699 20 0 EHADRM Cc1nc2sc3c(c2c(N(CC(=O)[O-])CC2CC2)n1)CCCCC3 ZINC001594458097 959439325 /nfs/dbraw/zinc/43/93/25/959439325.db2.gz VFBNMHHZNFIFIV-UHFFFAOYSA-N -1 0 345.468 3.570 20 0 EHADRM C[C@H](NC(=O)c1cc(C(=O)[O-])co1)c1ccc(Cl)cc1Cl ZINC000183326462 959445694 /nfs/dbraw/zinc/44/56/94/959445694.db2.gz QSMRCOSHJMFSLA-ZETCQYMHSA-N -1 0 328.151 3.776 20 0 EHADRM O=C([O-])c1coc(C(=O)N(Cc2cc(F)ccc2F)C2CCCC2)c1 ZINC000183814985 959451875 /nfs/dbraw/zinc/45/18/75/959451875.db2.gz WMBSEWSCAMFRPU-UHFFFAOYSA-N -1 0 349.333 3.841 20 0 EHADRM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1cc(C(=O)[O-])co1 ZINC000183813147 959452051 /nfs/dbraw/zinc/45/20/51/959452051.db2.gz LYTJTLGFOIKDGB-GHMZBOCLSA-N -1 0 335.787 3.895 20 0 EHADRM Cc1nc2ccccc2c(C)c1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001594464795 959501040 /nfs/dbraw/zinc/50/10/40/959501040.db2.gz VIEMMCHGCDHDGQ-UHFFFAOYSA-N -1 0 334.375 3.731 20 0 EHADRM C[C@H](NC(=O)c1cc(C2CC2)[nH]c1C1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001573623540 959527430 /nfs/dbraw/zinc/52/74/30/959527430.db2.gz VHBKTDNIBSJDBT-NZVBXONLSA-N -1 0 344.455 3.635 20 0 EHADRM C[C@H](CN(C)C(=O)c1cccc(Oc2ccc(Cl)cc2)c1)C(=O)[O-] ZINC000190929453 959529421 /nfs/dbraw/zinc/52/94/21/959529421.db2.gz DPJIMCJSRZVZIP-GFCCVEGCSA-N -1 0 347.798 3.925 20 0 EHADRM Cc1ccc(-c2nc(C(=O)N(C)C3(C(=O)[O-])CCCCC3)cs2)o1 ZINC000191294016 959549702 /nfs/dbraw/zinc/54/97/02/959549702.db2.gz NQFRXOVAWAFFQZ-UHFFFAOYSA-N -1 0 348.424 3.571 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2ccc3ncccc3c2)cc1)C(=O)[O-] ZINC000191390411 959556634 /nfs/dbraw/zinc/55/66/34/959556634.db2.gz BQFQUJXINRXFCF-CYBMUJFWSA-N -1 0 334.375 3.750 20 0 EHADRM COc1cc(C)sc1C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000191389091 959557256 /nfs/dbraw/zinc/55/72/56/959557256.db2.gz QZAVTWCBWZYRNA-SNVBAGLBSA-N -1 0 333.409 3.581 20 0 EHADRM Cc1cccc(CCC(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC000191413455 959562942 /nfs/dbraw/zinc/56/29/42/959562942.db2.gz TZKQSNLBXSSKPW-HNNXBMFYSA-N -1 0 325.408 3.830 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)C(C)(C)c2ccccc2)cc1)C(=O)[O-] ZINC000191440867 959568680 /nfs/dbraw/zinc/56/86/80/959568680.db2.gz JTTBEAVCEARJHA-CQSZACIVSA-N -1 0 325.408 3.866 20 0 EHADRM Cc1ncoc1C(=O)Nc1scc(-c2ccsc2)c1C(=O)[O-] ZINC001594475007 959583767 /nfs/dbraw/zinc/58/37/67/959583767.db2.gz JYXPUGLFAFRHHZ-UHFFFAOYSA-N -1 0 334.378 3.724 20 0 EHADRM CCCC[C@H](NC(=O)c1ccc(Cl)cc1SCC)C(=O)[O-] ZINC000192915461 959596967 /nfs/dbraw/zinc/59/69/67/959596967.db2.gz RFXMSVVSLDYLIH-LBPRGKRZSA-N -1 0 329.849 3.825 20 0 EHADRM C[C@H](C(=O)N1C[C@H](C(=O)[O-])c2ccccc21)c1cc2ccccc2o1 ZINC000192952733 959598132 /nfs/dbraw/zinc/59/81/32/959598132.db2.gz ABELZEXKXNTMGU-WFASDCNBSA-N -1 0 335.359 3.751 20 0 EHADRM C[C@@H](Sc1ccc(F)cc1)C(=O)Nc1sccc1C(=O)[O-] ZINC001573641521 959614256 /nfs/dbraw/zinc/61/42/56/959614256.db2.gz DEXQJIHNTPVXTP-MRVPVSSYSA-N -1 0 325.386 3.705 20 0 EHADRM CC(C)(C)C1=CCN(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)CC1 ZINC001588639394 959676718 /nfs/dbraw/zinc/67/67/18/959676718.db2.gz OFKOVUOALMQVLG-DLBZAZTESA-N -1 0 342.439 3.687 20 0 EHADRM CC(C)(C)C(F)(F)CNC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001588640281 959682363 /nfs/dbraw/zinc/68/23/63/959682363.db2.gz UYUWAIXNWHNOQO-UHFFFAOYSA-N -1 0 328.359 3.507 20 0 EHADRM CC1(C)CCCC[C@@H]1CC(=O)Nc1nc2ccccn2c1C(=O)[O-] ZINC001573667042 959697660 /nfs/dbraw/zinc/69/76/60/959697660.db2.gz CVFNJDFDOMNBRX-GFCCVEGCSA-N -1 0 329.400 3.578 20 0 EHADRM CC(C)(C)C1CCC(CNC(=O)N2CCC[C@@H](CC(=O)[O-])C2)CC1 ZINC001588643527 959717001 /nfs/dbraw/zinc/71/70/01/959717001.db2.gz RYWHCQJWXMWBBB-PCKAHOCUSA-N -1 0 338.492 3.735 20 0 EHADRM CC1(C)COc2ccc(C(=O)Nc3cccc(CCC(=O)[O-])c3)cc21 ZINC001573678139 959731309 /nfs/dbraw/zinc/73/13/09/959731309.db2.gz JPYAEBZAAZSWBH-UHFFFAOYSA-N -1 0 339.391 3.626 20 0 EHADRM CC(C)(C)CCCC(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001588651707 959774279 /nfs/dbraw/zinc/77/42/79/959774279.db2.gz QLNTUFVKZVTVQZ-UHFFFAOYSA-N -1 0 325.430 3.674 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)CC(C)(C)CC(=O)c1ccccc1 ZINC001588652621 959781280 /nfs/dbraw/zinc/78/12/80/959781280.db2.gz MZVVGLJNMYMMOL-UHFFFAOYSA-N -1 0 347.455 3.635 20 0 EHADRM O=C([O-])c1ccc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1 ZINC000224344989 959847063 /nfs/dbraw/zinc/84/70/63/959847063.db2.gz GBVWMOPZBITOGK-UHFFFAOYSA-N -1 0 346.338 3.835 20 0 EHADRM O=C([O-])c1nn(-c2ccccc2)cc1OCc1ccc(F)c(Cl)c1 ZINC000392504866 972492842 /nfs/dbraw/zinc/49/28/42/972492842.db2.gz VUENDHRLPISPCM-UHFFFAOYSA-N -1 0 346.745 3.942 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC001574233656 960428222 /nfs/dbraw/zinc/42/82/22/960428222.db2.gz RINFNOYPSUPRSF-RVKKMQEKSA-N -1 0 347.455 3.538 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccc(C(C)(C)C)c(F)c2)C[C@@H]1C(=O)[O-] ZINC001573735177 960430281 /nfs/dbraw/zinc/43/02/81/960430281.db2.gz BYXXGOQVDOMWSN-AAEUAGOBSA-N -1 0 336.407 3.698 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)CCSc1cccc(Cl)c1 ZINC001574266743 960590787 /nfs/dbraw/zinc/59/07/87/960590787.db2.gz NYJNDXRYNJKVCJ-BXUZGUMPSA-N -1 0 341.860 3.676 20 0 EHADRM O=C([O-])c1ccc(CN2CCc3c(Br)cccc3C2)cc1 ZINC001204155811 960603010 /nfs/dbraw/zinc/60/30/10/960603010.db2.gz TWPRHQQTBIRNKJ-UHFFFAOYSA-N -1 0 346.224 3.706 20 0 EHADRM O=C([O-])[C@H]1Cc2ccccc2N(Cc2cccc(Br)c2)C1 ZINC000236449160 960616677 /nfs/dbraw/zinc/61/66/77/960616677.db2.gz GITHSEPQVNPADR-AWEZNQCLSA-N -1 0 346.224 3.713 20 0 EHADRM CS[C@H](C)CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001604948602 972520907 /nfs/dbraw/zinc/52/09/07/972520907.db2.gz ODTAFLDIHNIESR-RKDXNWHRSA-N -1 0 327.471 3.651 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)c2ccc(Cl)nc2Cl)c1 ZINC000236487661 960676800 /nfs/dbraw/zinc/67/68/00/960676800.db2.gz ZHMWETNBADUNNG-UHFFFAOYSA-N -1 0 345.569 3.992 20 0 EHADRM CCC(CC)(CNC(=O)[C@]1(C(=O)[O-])CC1(C)C)c1ccc(F)cc1 ZINC001573783673 960719461 /nfs/dbraw/zinc/71/94/61/960719461.db2.gz QDAZXOLKLWIASW-IBGZPJMESA-N -1 0 335.419 3.501 20 0 EHADRM Cc1cc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)c(C)n1C(C)C ZINC000236709825 960740169 /nfs/dbraw/zinc/74/01/69/960740169.db2.gz FWRYSNLEFZMHNK-CQSZACIVSA-N -1 0 334.441 3.693 20 0 EHADRM Cc1ccccc1-c1nc(C(=O)N(CCC(=O)[O-])CC(C)C)cs1 ZINC000236761679 960752803 /nfs/dbraw/zinc/75/28/03/960752803.db2.gz FOZASGBCUDJKNQ-UHFFFAOYSA-N -1 0 346.452 3.691 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000236765465 960753997 /nfs/dbraw/zinc/75/39/97/960753997.db2.gz YDTNFGQXHWIIFF-UHFFFAOYSA-N -1 0 337.847 3.668 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)NCc2ccsc2)c1Cl ZINC001605813850 972531551 /nfs/dbraw/zinc/53/15/51/972531551.db2.gz NPWFHPHDOVNPOO-UHFFFAOYSA-N -1 0 328.752 3.561 20 0 EHADRM CCC[C@](C)(NC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1)C(=O)[O-] ZINC000236820184 960765754 /nfs/dbraw/zinc/76/57/54/960765754.db2.gz MEPJEIFELQXYLD-RBZFPXEDSA-N -1 0 343.423 3.712 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000236907134 960795455 /nfs/dbraw/zinc/79/54/55/960795455.db2.gz QTIOWYFAUHJLMO-RYUDHWBXSA-N -1 0 345.361 3.596 20 0 EHADRM CCCCc1oc2ccccc2c1CN(C)C(=O)C1(C(=O)[O-])CC1 ZINC000236919342 960800706 /nfs/dbraw/zinc/80/07/06/960800706.db2.gz XHRYOJTUTQBODN-UHFFFAOYSA-N -1 0 329.396 3.599 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000237113579 960872067 /nfs/dbraw/zinc/87/20/67/960872067.db2.gz QNMODFIIIXKHAS-BJOHPYRUSA-N -1 0 348.226 3.520 20 0 EHADRM Cc1cc(F)c(C(F)(F)F)cc1NC(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC001574330681 960881491 /nfs/dbraw/zinc/88/14/91/960881491.db2.gz IWPVDJHXCNOULD-AWEZNQCLSA-N -1 0 333.281 3.592 20 0 EHADRM Cc1cc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)ccc1C(=O)OC(C)(C)C ZINC001574332923 960896200 /nfs/dbraw/zinc/89/62/00/960896200.db2.gz GJNXGFKVHJVPSE-CQSZACIVSA-N -1 0 349.427 3.636 20 0 EHADRM C[C@@H](NC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1)C(=O)[O-] ZINC000237343200 960914617 /nfs/dbraw/zinc/91/46/17/960914617.db2.gz IHGULOKOAUBGSH-SSDOTTSWSA-N -1 0 344.219 3.925 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2cnc(C(C)(C)C)s2)cc1 ZINC001318739411 960921106 /nfs/dbraw/zinc/92/11/06/960921106.db2.gz GTNXSNIZKDJGHA-ZDUSSCGKSA-N -1 0 346.452 3.695 20 0 EHADRM Cc1cc(CNC(=O)c2ccccc2S[C@H](C)C(=O)[O-])ccc1F ZINC000237377741 960922407 /nfs/dbraw/zinc/92/24/07/960922407.db2.gz VHYBLXCFNJFPOW-GFCCVEGCSA-N -1 0 347.411 3.629 20 0 EHADRM C[C@H](CC(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000237381833 960923028 /nfs/dbraw/zinc/92/30/28/960923028.db2.gz IGIIBEOWZGDQGU-DDTOSNHZSA-N -1 0 343.345 3.569 20 0 EHADRM Cc1cc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)c(C)cc1O ZINC001574338371 960925397 /nfs/dbraw/zinc/92/53/97/960925397.db2.gz PXIVBEPRCRCLEY-UHFFFAOYSA-N -1 0 328.368 3.670 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001319852862 960962268 /nfs/dbraw/zinc/96/22/68/960962268.db2.gz ZMLFXMHADALEBU-BJRSVTDJSA-N -1 0 341.382 3.870 20 0 EHADRM Cc1ccc(NC(=O)CCOc2cccc(Cl)c2)cc1C(=O)[O-] ZINC000237608642 960972077 /nfs/dbraw/zinc/97/20/77/960972077.db2.gz LJUGYZDFMOBUQO-UHFFFAOYSA-N -1 0 333.771 3.754 20 0 EHADRM C[C@H](NC(=O)c1ccccc1SCc1occc1C(=O)[O-])C1CC1 ZINC000237632230 960978719 /nfs/dbraw/zinc/97/87/19/960978719.db2.gz HIAQSYPRUZACIO-NSHDSACASA-N -1 0 345.420 3.798 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2cnc3ccccc3c2C)cc1 ZINC001320763629 960986180 /nfs/dbraw/zinc/98/61/80/960986180.db2.gz MKZSDUSIRMGWFD-IBGZPJMESA-N -1 0 348.402 3.797 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)cc1C(=O)[O-] ZINC000237695925 960999353 /nfs/dbraw/zinc/99/93/53/960999353.db2.gz NBWOOJCIXDWYKX-DZGCQCFKSA-N -1 0 331.318 3.714 20 0 EHADRM Cc1ccc(C(C)(C)CN(C)C(=O)Nc2ccnc(C(=O)[O-])c2)cc1 ZINC001574357081 961006748 /nfs/dbraw/zinc/00/67/48/961006748.db2.gz MLOMFNVHYRZOAJ-UHFFFAOYSA-N -1 0 341.411 3.530 20 0 EHADRM CC[C@H]1CCc2nc(NC(=O)c3ccc(C(=O)[O-])cc3)sc2C1 ZINC001573829912 961007468 /nfs/dbraw/zinc/00/74/68/961007468.db2.gz KCCMAQWCWIORCE-JTQLQIEISA-N -1 0 330.409 3.609 20 0 EHADRM Cc1cc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c(C)n1C1CC1 ZINC000237757828 961017252 /nfs/dbraw/zinc/01/72/52/961017252.db2.gz BLSYGZRUGXYUNS-ACJLOTCBSA-N -1 0 340.423 3.632 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)CSCc1cccs1)c1ccccc1 ZINC001323489124 961017547 /nfs/dbraw/zinc/01/75/47/961017547.db2.gz XXVAUDPWQBIIHS-LRDDRELGSA-N -1 0 349.477 3.560 20 0 EHADRM Cc1ccc(C2(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CCC2)cc1 ZINC001574361565 961029539 /nfs/dbraw/zinc/02/95/39/961029539.db2.gz NSTJDBHVYJVARI-INIZCTEOSA-N -1 0 331.456 3.670 20 0 EHADRM Cc1ccc(Cl)c2sc(NC(=O)c3ccc(C(=O)[O-])cn3)nc21 ZINC001574367426 961047976 /nfs/dbraw/zinc/04/79/76/961047976.db2.gz GNNDPYVNPGPKOS-UHFFFAOYSA-N -1 0 347.783 3.604 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)Cc2ccc(Cl)s2)cc1 ZINC001325181877 961052038 /nfs/dbraw/zinc/05/20/38/961052038.db2.gz PENHBGLIPWKINN-ZDUSSCGKSA-N -1 0 337.828 3.585 20 0 EHADRM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)CCCCCc1cccs1 ZINC000237952202 961053145 /nfs/dbraw/zinc/05/31/45/961053145.db2.gz QWMZWRHECAAGCH-QGZVFWFLSA-N -1 0 345.464 3.663 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCC(c2ccccc2)c2ccccc2)o1 ZINC000238007991 961074074 /nfs/dbraw/zinc/07/40/74/961074074.db2.gz SZKYAUQDVGIZEI-UHFFFAOYSA-N -1 0 335.359 3.540 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N2C[C@@H]3CCCC[C@@]32c2ccccc2)cc1 ZINC001326426320 961092005 /nfs/dbraw/zinc/09/20/05/961092005.db2.gz MQLAJDJWLPKKNM-SIKLNZKXSA-N -1 0 349.430 3.855 20 0 EHADRM O=C([O-])CCCCCCNC(=O)COc1cc(Cl)cc(Cl)c1 ZINC000238116070 961104942 /nfs/dbraw/zinc/10/49/42/961104942.db2.gz ICGVHIDPCPBVRO-UHFFFAOYSA-N -1 0 348.226 3.524 20 0 EHADRM O=C([O-])c1cccc(NC(=O)CCc2ccccc2Br)c1 ZINC000238141220 961124333 /nfs/dbraw/zinc/12/43/33/961124333.db2.gz CZTMHYNAYDTYET-UHFFFAOYSA-N -1 0 348.196 3.719 20 0 EHADRM Cc1cccc([C@@H](NC(=O)C[C@H](C)c2ccc(F)cc2F)C(=O)[O-])c1 ZINC001574387094 961137044 /nfs/dbraw/zinc/13/70/44/961137044.db2.gz DMGVGTVLPQXXJI-KPZWWZAWSA-N -1 0 347.361 3.709 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)C/C=C/c2cccc(F)c2)cc1 ZINC000238200292 961155220 /nfs/dbraw/zinc/15/52/20/961155220.db2.gz DPGOFCSGAMVZTN-DUXPYHPUSA-N -1 0 343.354 3.721 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2cc(C(F)F)ccc2F)C(=O)[O-])c1 ZINC001574390683 961175901 /nfs/dbraw/zinc/17/59/01/961175901.db2.gz BIODCKVHQWREFK-AWEZNQCLSA-N -1 0 337.297 3.627 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2ccc(C(=O)[O-])cc2)c2ccccn2)c1 ZINC001574390814 961176985 /nfs/dbraw/zinc/17/69/85/961176985.db2.gz FJWCDPQONHOSCC-IBGZPJMESA-N -1 0 346.386 3.608 20 0 EHADRM CCCn1c(C(=O)NCc2ccccc2C(=O)[O-])cc2ccccc21 ZINC001573866800 961196766 /nfs/dbraw/zinc/19/67/66/961196766.db2.gz IUFLGIQJWUDRIG-UHFFFAOYSA-N -1 0 336.391 3.680 20 0 EHADRM Cc1cccc([C@H](NCc2nccc(Cl)c2Cl)C(=O)[O-])c1 ZINC001574395252 961210952 /nfs/dbraw/zinc/21/09/52/961210952.db2.gz XXBBDAYNGVBKFU-AWEZNQCLSA-N -1 0 325.195 3.612 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000250675364 961224308 /nfs/dbraw/zinc/22/43/08/961224308.db2.gz ANNMSCKRSLNIJU-FZZIBODNSA-N -1 0 342.222 3.851 20 0 EHADRM O=C([O-])c1ccc(CN2CCO[C@H](c3ccc(Cl)s3)C2)s1 ZINC001328742872 961224365 /nfs/dbraw/zinc/22/43/65/961224365.db2.gz FTARIAKNQMCIEE-JTQLQIEISA-N -1 0 343.857 3.735 20 0 EHADRM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001574401847 961237178 /nfs/dbraw/zinc/23/71/78/961237178.db2.gz FMHBODPJASWPEJ-BZUAXINKSA-N -1 0 329.440 3.689 20 0 EHADRM Cc1ccc(CO[C@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2C)cc1 ZINC001329216243 961249260 /nfs/dbraw/zinc/24/92/60/961249260.db2.gz VQWDMIPUMXTYSR-CQSZACIVSA-N -1 0 327.380 3.545 20 0 EHADRM Cc1ccccc1Sc1ccc(C(=O)NC[C@@H](C)C(=O)[O-])cc1 ZINC001574404372 961254205 /nfs/dbraw/zinc/25/42/05/961254205.db2.gz JODSPXQURXQQHT-CYBMUJFWSA-N -1 0 329.421 3.597 20 0 EHADRM CC(C)c1ccc(C2(C(=O)NCCCCCC(=O)[O-])CCC2)cc1 ZINC001329412791 961269256 /nfs/dbraw/zinc/26/92/56/961269256.db2.gz ZAQSURGWYVLDLW-UHFFFAOYSA-N -1 0 331.456 3.993 20 0 EHADRM CC(C)(NC(=O)Nc1cccc(CC(=O)[O-])c1)c1ccccc1F ZINC001588789227 961354945 /nfs/dbraw/zinc/35/49/45/961354945.db2.gz GCPDUVWUHZKPEC-UHFFFAOYSA-N -1 0 330.359 3.510 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001331398762 961374510 /nfs/dbraw/zinc/37/45/10/961374510.db2.gz LHRYHVDDZZGMAT-ZWKOTPCHSA-N -1 0 347.455 3.755 20 0 EHADRM Cc1ocnc1C(=O)Nc1sc2c(c1C(=O)[O-])CCC(C)(C)C2 ZINC001574444207 961442106 /nfs/dbraw/zinc/44/21/06/961442106.db2.gz XMFCSNOAHXSSJK-UHFFFAOYSA-N -1 0 334.397 3.510 20 0 EHADRM Cc1ccc(C)c([C@H]2CCCN2C(=O)Cc2cccc(C(=O)[O-])c2)c1 ZINC000262083804 961442987 /nfs/dbraw/zinc/44/29/87/961442987.db2.gz FQXKISMAFVZATP-LJQANCHMSA-N -1 0 337.419 3.908 20 0 EHADRM CC[C@@H](CC(=O)NCCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000262091677 961450032 /nfs/dbraw/zinc/45/00/32/961450032.db2.gz COVYSBQTKPPZTD-INIZCTEOSA-N -1 0 325.408 3.627 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)CCc1ccc(Cl)s1)CC2 ZINC000262134383 961489130 /nfs/dbraw/zinc/48/91/30/961489130.db2.gz KZNWOOVRLXKUTG-UHFFFAOYSA-N -1 0 349.839 3.617 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000262143471 961495512 /nfs/dbraw/zinc/49/55/12/961495512.db2.gz MJLRBPLXFCZNRX-KRWDZBQOSA-N -1 0 343.448 3.614 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)NC(=O)NCCCCCC(=O)[O-] ZINC001588811880 961520951 /nfs/dbraw/zinc/52/09/51/961520951.db2.gz DEAIWCTWZFLJGQ-LJQANCHMSA-N -1 0 334.460 3.588 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)OCc1cc(Br)ccc1Cl ZINC001588814062 961546566 /nfs/dbraw/zinc/54/65/66/961546566.db2.gz PKNAMXWLGZQCMB-LLVKDONJSA-N -1 0 349.608 3.503 20 0 EHADRM COc1cc(NC(=O)c2cccc(OCC(C)C)c2)ccc1C(=O)[O-] ZINC000262224257 961569656 /nfs/dbraw/zinc/56/96/56/961569656.db2.gz NBHJTGUIWXCUEV-UHFFFAOYSA-N -1 0 343.379 3.681 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1ccc(Oc2ccccc2)cc1 ZINC000262228177 961573333 /nfs/dbraw/zinc/57/33/33/961573333.db2.gz VCSYAUUKMLRNNU-DOPJRALCSA-N -1 0 339.391 3.767 20 0 EHADRM CC(C)[C@H](CNC(=O)N1CCC[C@@H]1CCCc1ccccc1)C(=O)[O-] ZINC001588822231 961635246 /nfs/dbraw/zinc/63/52/46/961635246.db2.gz GFNWVDGIVDSWEG-ROUUACIJSA-N -1 0 346.471 3.540 20 0 EHADRM CCCC[C@H](NC(=O)c1c[nH]cc1-c1ccc(Cl)s1)C(=O)[O-] ZINC000262325083 961644695 /nfs/dbraw/zinc/64/46/95/961644695.db2.gz WSQDICLIAMNLNK-NSHDSACASA-N -1 0 340.832 3.770 20 0 EHADRM CC(C)[C@H](CNC(=O)NC[C@@H]1CCCC[C@@H]1c1ccccc1)C(=O)[O-] ZINC001588824973 961661326 /nfs/dbraw/zinc/66/13/26/961661326.db2.gz IYIQIQXSEGRYDN-KSZLIROESA-N -1 0 346.471 3.616 20 0 EHADRM CCc1ccc([C@@H]2CCCN(C(=O)C3(CC(=O)[O-])CCC3)C2)cc1 ZINC001573954150 961662219 /nfs/dbraw/zinc/66/22/19/961662219.db2.gz JNZRUUVOPJPDQH-QGZVFWFLSA-N -1 0 329.440 3.600 20 0 EHADRM CC(C)[C@H](CNC(=O)NCc1ccc(-c2cccs2)cc1)C(=O)[O-] ZINC001588825079 961665591 /nfs/dbraw/zinc/66/55/91/961665591.db2.gz PJTDVQPAFBCWND-HNNXBMFYSA-N -1 0 346.452 3.571 20 0 EHADRM O=C([O-])CC1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)CC1 ZINC000262371582 961676303 /nfs/dbraw/zinc/67/63/03/961676303.db2.gz AVTMFRJGLCTJNY-UHFFFAOYSA-N -1 0 349.858 3.865 20 0 EHADRM CCc1ccccc1OCCC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001573960714 961684075 /nfs/dbraw/zinc/68/40/75/961684075.db2.gz NFTOUKUELTVDOR-UHFFFAOYSA-N -1 0 341.407 3.674 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@@H](C)SCc2ccccc2)cc1C(=O)[O-] ZINC000262419950 961709854 /nfs/dbraw/zinc/70/98/54/961709854.db2.gz CNDMAJNBPMUSNJ-CYBMUJFWSA-N -1 0 347.436 3.567 20 0 EHADRM Cc1oc(CN(C)C(=O)c2cc3c(cc(C)cc3C)[nH]2)cc1C(=O)[O-] ZINC000262517795 961757198 /nfs/dbraw/zinc/75/71/98/961757198.db2.gz QCIJJZJTIODONR-UHFFFAOYSA-N -1 0 340.379 3.657 20 0 EHADRM CC(C)(C)c1ccc2cc(C(=O)N3CCCC[C@@H]3C(=O)[O-])[nH]c2c1 ZINC000262522826 961759475 /nfs/dbraw/zinc/75/94/75/961759475.db2.gz FORMJKOREPDGPF-MRXNPFEDSA-N -1 0 328.412 3.545 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1C(=O)[O-] ZINC000262559669 961771562 /nfs/dbraw/zinc/77/15/62/961771562.db2.gz ZFQQBGKTAKKJRA-MNOVXSKESA-N -1 0 347.333 3.613 20 0 EHADRM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000262606813 961784705 /nfs/dbraw/zinc/78/47/05/961784705.db2.gz AMAQBWCYZOVAOR-NSHDSACASA-N -1 0 344.411 3.786 20 0 EHADRM CC(C)[C@H]1CCCCCN1C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001588842226 961813796 /nfs/dbraw/zinc/81/37/96/961813796.db2.gz WOIGWXVXDVWSOU-CAOSSQGBSA-N -1 0 338.492 3.732 20 0 EHADRM Cc1ccc([C@H]2CSCCN2C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC000262702968 961814871 /nfs/dbraw/zinc/81/48/71/961814871.db2.gz IOZHKTZHXPFMSP-BRWVUGGUSA-N -1 0 347.480 3.503 20 0 EHADRM CC(C)[C@@H]1N(C(=O)c2ccc(C(=O)[O-])nc2)CC12CCCCCC2 ZINC001588842389 961817837 /nfs/dbraw/zinc/81/78/37/961817837.db2.gz AGDHUDZVKMMKDZ-INIZCTEOSA-N -1 0 330.428 3.601 20 0 EHADRM C[C@H]1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)[C@@H]1c1cccc(F)c1 ZINC000262716731 961823634 /nfs/dbraw/zinc/82/36/34/961823634.db2.gz NWGCAJMWRFDIKV-WSMBLCCSSA-N -1 0 333.403 3.626 20 0 EHADRM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262722361 961826994 /nfs/dbraw/zinc/82/69/94/961826994.db2.gz QMTZATFJDUFSRO-ZTFGCOKTSA-N -1 0 329.440 3.705 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cc(-c2ccccn2)ccc1Cl ZINC000262735172 961835830 /nfs/dbraw/zinc/83/58/30/961835830.db2.gz FJUURBQZUPOCJO-LBPRGKRZSA-N -1 0 346.814 3.727 20 0 EHADRM Cc1cccc(CN(C)C(=O)c2ccccc2S[C@@H](C)C(=O)[O-])c1 ZINC000262750156 961847147 /nfs/dbraw/zinc/84/71/47/961847147.db2.gz NDUBPLFJSLMKEH-AWEZNQCLSA-N -1 0 343.448 3.832 20 0 EHADRM COc1c(Cl)cc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1Cl ZINC000262751939 961849595 /nfs/dbraw/zinc/84/95/95/961849595.db2.gz YDZTYBIBMDUTAE-KYZUINATSA-N -1 0 346.210 3.832 20 0 EHADRM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000262804665 961875203 /nfs/dbraw/zinc/87/52/03/961875203.db2.gz ONAIQEYJZYGCPK-JLTOFOAXSA-N -1 0 337.419 3.757 20 0 EHADRM CC(C)C[C@H](C)CC(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001588846553 961880617 /nfs/dbraw/zinc/88/06/17/961880617.db2.gz RREDPQJKJXNYOH-JTQLQIEISA-N -1 0 325.430 3.530 20 0 EHADRM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1ccnc(C(=O)[O-])c1 ZINC000262817534 961884736 /nfs/dbraw/zinc/88/47/36/961884736.db2.gz PSKSTUPGQJQSMF-LLVKDONJSA-N -1 0 347.440 3.501 20 0 EHADRM CCCc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2OC)sc1C ZINC000262821053 961887872 /nfs/dbraw/zinc/88/78/72/961887872.db2.gz ANJQRLHIAMKVON-UHFFFAOYSA-N -1 0 333.409 3.968 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1cccnc1-c1ccccc1)C(=O)[O-] ZINC001588854884 961966551 /nfs/dbraw/zinc/96/65/51/961966551.db2.gz PDJIACSFOQQREG-OAHLLOKOSA-N -1 0 341.411 3.617 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)CC1 ZINC000262918834 962000253 /nfs/dbraw/zinc/00/02/53/962000253.db2.gz ILZJQORZTVSUGG-IIDMSEBBSA-N -1 0 329.440 3.659 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262952049 962036274 /nfs/dbraw/zinc/03/62/74/962036274.db2.gz OWPUHERJWJJNQM-HAQNSBGRSA-N -1 0 339.819 3.958 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001339800788 962072343 /nfs/dbraw/zinc/07/23/43/962072343.db2.gz CHBSDLICRNWYDM-QZTJIDSGSA-N -1 0 346.471 3.540 20 0 EHADRM CC(C)CN(CC(C)C)C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001588871061 962082542 /nfs/dbraw/zinc/08/25/42/962082542.db2.gz LSEJTWKVCLLPRD-DLBZAZTESA-N -1 0 332.444 3.623 20 0 EHADRM CC(C)CN(CCc1ccccc1)C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001588871213 962083679 /nfs/dbraw/zinc/08/36/79/962083679.db2.gz QJQFVGOMALAZLX-UHFFFAOYSA-N -1 0 341.411 3.512 20 0 EHADRM Cc1cccc(C(C)(C)CNC(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC001340476879 962095841 /nfs/dbraw/zinc/09/58/41/962095841.db2.gz LMQBWOSHLZWLHV-MRXNPFEDSA-N -1 0 346.471 3.559 20 0 EHADRM COc1cc(NC(=O)C[C@H](C)c2ccccc2C)ccc1C(=O)[O-] ZINC000263004543 962100540 /nfs/dbraw/zinc/10/05/40/962100540.db2.gz RMNYIJNXIOEIQS-ZDUSSCGKSA-N -1 0 327.380 3.834 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H](C)CC2CCCCC2)cc1 ZINC001340565516 962102365 /nfs/dbraw/zinc/10/23/65/962102365.db2.gz ZBUPSEGYPGKEDO-KBXCAEBGSA-N -1 0 347.455 3.934 20 0 EHADRM CC(C)[C@H](CNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)Cc1ccccc1 ZINC000263008624 962106782 /nfs/dbraw/zinc/10/67/82/962106782.db2.gz PLGJOEOKLWTARW-KURKYZTESA-N -1 0 331.456 3.509 20 0 EHADRM Cc1c(C(=O)Nc2ccc(C(=O)[O-])cc2C)cnn1-c1ccccc1C ZINC001340794817 962113086 /nfs/dbraw/zinc/11/30/86/962113086.db2.gz HUZJEGIYCANMIH-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM COCc1c2ccccc2oc1C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001340795788 962113348 /nfs/dbraw/zinc/11/33/48/962113348.db2.gz XZTPUSHAJXCRJE-UHFFFAOYSA-N -1 0 339.347 3.838 20 0 EHADRM O=C([O-])C1CCC(NC(=O)Nc2ccc(C(F)(F)F)c(F)c2)CC1 ZINC001574599801 962156268 /nfs/dbraw/zinc/15/62/68/962156268.db2.gz LTVQHPSQIDMWOZ-UHFFFAOYSA-N -1 0 348.296 3.609 20 0 EHADRM CC[C@H](CC(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000263036535 962157095 /nfs/dbraw/zinc/15/70/95/962157095.db2.gz ZHIOICGIDDVTLE-KDOFPFPSSA-N -1 0 343.398 3.694 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2F)c(F)c1 ZINC001574600192 962159593 /nfs/dbraw/zinc/15/95/93/962159593.db2.gz UPEZUEAFQJCNSQ-XJKSGUPXSA-N -1 0 346.333 3.671 20 0 EHADRM Cc1c(NC(=O)Nc2cccc(CCC(=O)[O-])c2)cnn1CC(C)C ZINC000263046241 962175962 /nfs/dbraw/zinc/17/59/62/962175962.db2.gz MMOPNIFGYYRZAT-UHFFFAOYSA-N -1 0 344.415 3.509 20 0 EHADRM CC[C@@H](C(=O)NC[C@@](CC)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000263060875 962200171 /nfs/dbraw/zinc/20/01/71/962200171.db2.gz RZRMZOFXCFFPFK-WIYYLYMNSA-N -1 0 339.435 3.729 20 0 EHADRM CC(C)C[C@H](CNC(=O)NCC(C1CCC1)C1CCC1)CC(=O)[O-] ZINC001588892464 962207716 /nfs/dbraw/zinc/20/77/16/962207716.db2.gz NUGWVQVOEUKEFD-AWEZNQCLSA-N -1 0 338.492 3.639 20 0 EHADRM C[C@H](C1CC1)n1cc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)cn1 ZINC000263071254 962211593 /nfs/dbraw/zinc/21/15/93/962211593.db2.gz PXUCEHAPRIETDD-GFCCVEGCSA-N -1 0 342.399 3.515 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1cccc(C(=O)c2ccco2)c1 ZINC001574615577 962215820 /nfs/dbraw/zinc/21/58/20/962215820.db2.gz DCVQVUPQXZAOIL-UHFFFAOYSA-N -1 0 341.344 3.523 20 0 EHADRM CC[C@H](C(=O)Nc1cc(COC)cc(C(=O)[O-])c1)c1ccccc1 ZINC000263075497 962217383 /nfs/dbraw/zinc/21/73/83/962217383.db2.gz KHXUAHCXWOGEGZ-KRWDZBQOSA-N -1 0 327.380 3.664 20 0 EHADRM C[C@@H]1CC[C@](NC(=O)c2ccoc2C2CC2)(C(=O)[O-])c2ccccc21 ZINC001345183170 962256950 /nfs/dbraw/zinc/25/69/50/962256950.db2.gz BHTHDPPAGIWPAG-MPBGBICISA-N -1 0 339.391 3.764 20 0 EHADRM CC(C)C[C@H](NC(=O)Nc1ccc(COC(C)(C)C)cc1)C(=O)[O-] ZINC001588901552 962257074 /nfs/dbraw/zinc/25/70/74/962257074.db2.gz RQTULWZNSNGORC-HNNXBMFYSA-N -1 0 336.432 3.623 20 0 EHADRM C[C@H]1CC[C@](NC(=O)c2ccoc2C2CC2)(C(=O)[O-])c2ccccc21 ZINC001345183169 962257687 /nfs/dbraw/zinc/25/76/87/962257687.db2.gz BHTHDPPAGIWPAG-FKIZINRSSA-N -1 0 339.391 3.764 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H](c2ccccc2)C2CC2)C[C@@H]1c1ccccc1 ZINC000263107307 962258641 /nfs/dbraw/zinc/25/86/41/962258641.db2.gz FVIIGRFLPJCGKS-AQNXPRMDSA-N -1 0 349.430 3.507 20 0 EHADRM Cc1cc(C)c(OCC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c(C)c1 ZINC000263328374 1125481712 /nfs/dbraw/zinc/48/17/12/1125481712.db2.gz PJBQOXLHJJBYCK-OAHLLOKOSA-N -1 0 341.407 3.817 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)N2[C@H](C)CCC[C@@H]2C(=O)[O-])cc1 ZINC001588905966 962271556 /nfs/dbraw/zinc/27/15/56/962271556.db2.gz CEQCUVHFKWNBFS-CRAIPNDOSA-N -1 0 331.456 3.672 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccnc(C(=O)[O-])c2)cc1 ZINC001588906291 962277820 /nfs/dbraw/zinc/27/78/20/962277820.db2.gz WZWABMQLCORFRD-ZDUSSCGKSA-N -1 0 326.396 3.721 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCCC(C)(C)C1)c1ccc(OCC(=O)[O-])cc1 ZINC000263125485 962279345 /nfs/dbraw/zinc/27/93/45/962279345.db2.gz SMBSBPRMNLPHPP-ZFWWWQNUSA-N -1 0 333.428 3.544 20 0 EHADRM COCc1cc(NC(=O)C2(c3ccccc3)CCC2)cc(C(=O)[O-])c1 ZINC000263125713 962279432 /nfs/dbraw/zinc/27/94/32/962279432.db2.gz SDMRFECXGCLUHO-UHFFFAOYSA-N -1 0 339.391 3.592 20 0 EHADRM Cc1cccc(C(=O)N2CCC(CCC(=O)[O-])CC2)c1C(F)(F)F ZINC001345754590 962282310 /nfs/dbraw/zinc/28/23/10/962282310.db2.gz HJZVWOULKALRLA-UHFFFAOYSA-N -1 0 343.345 3.731 20 0 EHADRM CC(C)(C)CCC(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC000263136814 962290112 /nfs/dbraw/zinc/29/01/12/962290112.db2.gz WHOPMLIOAWEFDM-UHFFFAOYSA-N -1 0 331.456 3.992 20 0 EHADRM C[C@@H](NC(=O)C1CCCCCCC1)c1ccc(OCC(=O)[O-])cc1 ZINC000263142024 962296149 /nfs/dbraw/zinc/29/61/49/962296149.db2.gz UFVOWFBEBWSRLC-CQSZACIVSA-N -1 0 333.428 3.688 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000263147636 962301643 /nfs/dbraw/zinc/30/16/43/962301643.db2.gz YVDIUEUXMGBSGB-SLHNCBLASA-N -1 0 349.430 3.655 20 0 EHADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccccc1Sc1ccccc1 ZINC000263172805 962326405 /nfs/dbraw/zinc/32/64/05/962326405.db2.gz KVTHNCOOWNLIHP-DZGCQCFKSA-N -1 0 341.432 3.773 20 0 EHADRM Cc1cccc(OCCCC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c1 ZINC000263176879 962328726 /nfs/dbraw/zinc/32/87/26/962328726.db2.gz GTWBGSCEMXCTDJ-HNNXBMFYSA-N -1 0 341.407 3.981 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)c1cc(F)c(Oc2ccccc2)c(F)c1 ZINC001588916084 962344715 /nfs/dbraw/zinc/34/47/15/962344715.db2.gz ZQHJZGGDCBKSGZ-UHFFFAOYSA-N -1 0 349.333 3.692 20 0 EHADRM CCO[C@@H](C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1)c1ccccc1 ZINC000263198463 962352883 /nfs/dbraw/zinc/35/28/83/962352883.db2.gz JNZDQTQTAYBWIY-SUMWQHHRSA-N -1 0 327.380 3.591 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000263244412 962387461 /nfs/dbraw/zinc/38/74/61/962387461.db2.gz CVXPYTPXZUYQHE-UHFFFAOYSA-N -1 0 330.211 3.523 20 0 EHADRM CC(C)c1ccc(NC(=O)c2cnc(C(=O)[O-])cn2)c(C(C)C)c1 ZINC000263251608 962392528 /nfs/dbraw/zinc/39/25/28/962392528.db2.gz HLFAVSCGURNHKB-UHFFFAOYSA-N -1 0 327.384 3.674 20 0 EHADRM CC(C)(C)Oc1ccccc1NC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000263302961 962445102 /nfs/dbraw/zinc/44/51/02/962445102.db2.gz DOJFWPDZHGZWDC-UHFFFAOYSA-N -1 0 327.380 3.743 20 0 EHADRM C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)CCCCC(=O)[O-] ZINC000263321281 962463495 /nfs/dbraw/zinc/46/34/95/962463495.db2.gz RLFXCBGRPZAPPL-JTQLQIEISA-N -1 0 332.227 3.686 20 0 EHADRM COc1ccc(C(C)(C)C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)cc1 ZINC000263341654 962493354 /nfs/dbraw/zinc/49/33/54/962493354.db2.gz SEVHSXVWOXKGBA-ZDUSSCGKSA-N -1 0 341.407 3.800 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@@H](C)Cc2ccccc2F)c1 ZINC000263355173 962509827 /nfs/dbraw/zinc/50/98/27/962509827.db2.gz WTCQTFZGHPLJEB-QWHCGFSZSA-N -1 0 329.371 3.831 20 0 EHADRM CC(C)Oc1ccc(F)cc1NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001588938017 962512425 /nfs/dbraw/zinc/51/24/25/962512425.db2.gz FINSALJFGGPVEX-GQCTYLIASA-N -1 0 333.315 3.556 20 0 EHADRM CC(C)Oc1ccc(Cl)cc1-c1nc(C2(C(=O)[O-])CCC2)no1 ZINC001588938163 962515271 /nfs/dbraw/zinc/51/52/71/962515271.db2.gz QYVYTTXPVJJGQP-UHFFFAOYSA-N -1 0 336.775 3.684 20 0 EHADRM O=C([O-])CC[C@H](CC1CCCCC1)NC(=O)CC[C@H]1CCCCO1 ZINC000263377635 962534902 /nfs/dbraw/zinc/53/49/02/962534902.db2.gz BTHUXZCKIZQEFV-IAGOWNOFSA-N -1 0 339.476 3.656 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C(=O)c1cc(C(=O)[O-])ccn1)C1CC1 ZINC000263408544 962574665 /nfs/dbraw/zinc/57/46/65/962574665.db2.gz LMKJPHSYOZHPRY-LLVKDONJSA-N -1 0 344.798 3.799 20 0 EHADRM COC(=O)c1cc2cccc(NC3CCC(C(=O)[O-])CC3)c2s1 ZINC000263432831 962608853 /nfs/dbraw/zinc/60/88/53/962608853.db2.gz STCAVQVDOZTNEZ-UHFFFAOYSA-N -1 0 333.409 3.743 20 0 EHADRM O=C([O-])c1ccccc1-c1ccccc1C(=O)N1CCCSCC1 ZINC000263434420 962611578 /nfs/dbraw/zinc/61/15/78/962611578.db2.gz OFTNUAHJQGNBDT-UHFFFAOYSA-N -1 0 341.432 3.631 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])o1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001351728692 962622386 /nfs/dbraw/zinc/62/23/86/962622386.db2.gz IRLMGUIETIZOKO-HUUCEWRRSA-N -1 0 327.380 3.776 20 0 EHADRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000263457836 962646172 /nfs/dbraw/zinc/64/61/72/962646172.db2.gz PJZQOPJGYCNTMY-PQAZSJQKSA-N -1 0 349.393 3.895 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1[nH]ccc1-c1ccccc1 ZINC001574692599 962655411 /nfs/dbraw/zinc/65/54/11/962655411.db2.gz XKPUYTPBOIGORN-OAHLLOKOSA-N -1 0 326.396 3.541 20 0 EHADRM C[C@@H]1CCN(C(=O)NC2CCC(C(=O)[O-])CC2)CC12CCCCC2 ZINC000263477535 962662719 /nfs/dbraw/zinc/66/27/19/962662719.db2.gz NAOWDWZTCAKZNK-QQFBHYJXSA-N -1 0 336.476 3.632 20 0 EHADRM O=C([O-])CCCC(=O)O[C@@H](Cc1ccc(Cl)cc1)C(F)(F)F ZINC001574697297 962664350 /nfs/dbraw/zinc/66/43/50/962664350.db2.gz CNICHZLEWLIDJF-NSHDSACASA-N -1 0 338.709 3.612 20 0 EHADRM COc1cccc2c1CC[C@@H](Nc1cccc(CCC(=O)[O-])c1)C2 ZINC000263480446 962666774 /nfs/dbraw/zinc/66/67/74/962666774.db2.gz GFFCJCKVSYUHBU-QGZVFWFLSA-N -1 0 325.408 3.682 20 0 EHADRM Cc1cccc(Oc2ccc(NC(=O)N3CC[C@@H](C(=O)[O-])C3)cc2)c1 ZINC000263487280 962673871 /nfs/dbraw/zinc/67/38/71/962673871.db2.gz NEPAPUIKPYBRAE-CQSZACIVSA-N -1 0 340.379 3.726 20 0 EHADRM CC(C)c1nc([C@@H]2CCCCN2Cc2ccc(C(=O)[O-])cc2)no1 ZINC001588975497 962694485 /nfs/dbraw/zinc/69/44/85/962694485.db2.gz ZCOCFVIFIOFIIR-HNNXBMFYSA-N -1 0 329.400 3.618 20 0 EHADRM C[C@H](CCC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000263517862 962699144 /nfs/dbraw/zinc/69/91/44/962699144.db2.gz FPGSRFZXPVSSCD-BEFAXECRSA-N -1 0 337.419 3.781 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)c(F)c1 ZINC000263531823 962712573 /nfs/dbraw/zinc/71/25/73/962712573.db2.gz MUJCHJIGEYPPPS-IUODEOHRSA-N -1 0 345.345 3.729 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)cc1Cl ZINC000263531556 962713049 /nfs/dbraw/zinc/71/30/49/962713049.db2.gz MOXCFOZHLYXFEZ-UHFFFAOYSA-N -1 0 349.818 3.732 20 0 EHADRM CCc1cccc(CC(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c1 ZINC000263548167 962721359 /nfs/dbraw/zinc/72/13/59/962721359.db2.gz VBXICDYPOAWRTA-UHFFFAOYSA-N -1 0 341.407 3.674 20 0 EHADRM Cc1cccc(Oc2ccccc2C(=O)N2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000263549296 962723573 /nfs/dbraw/zinc/72/35/73/962723573.db2.gz VPFFYDHMNMPKLW-FQEVSTJZSA-N -1 0 339.391 3.724 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCC[C@H](CCCc2ccccc2)C1 ZINC000263577485 962742000 /nfs/dbraw/zinc/74/20/00/962742000.db2.gz RMRKNZGFPANKQL-SFHVURJKSA-N -1 0 331.456 3.893 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000263581492 962748758 /nfs/dbraw/zinc/74/87/58/962748758.db2.gz XGCLGRVJIPDAIP-YQVWRLOYSA-N -1 0 335.403 3.568 20 0 EHADRM CC(C)c1[nH]ccc1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001517351268 962771297 /nfs/dbraw/zinc/77/12/97/962771297.db2.gz SCMQQAJFOYMDEQ-UHFFFAOYSA-N -1 0 332.425 3.708 20 0 EHADRM COc1cc([C@H](C)NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc2ccccc21 ZINC001574177806 962809585 /nfs/dbraw/zinc/80/95/85/962809585.db2.gz ZYWZHXKICGMTJP-AEGPPILISA-N -1 0 341.407 3.527 20 0 EHADRM COc1cc(C)c(NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c(C)c1C ZINC001574181612 962813702 /nfs/dbraw/zinc/81/37/02/962813702.db2.gz DUVCLZOAAFBZDJ-HNNXBMFYSA-N -1 0 348.443 3.729 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(O)c(C(=O)[O-])c1)c1ccc(F)cc1F ZINC001588993728 962820353 /nfs/dbraw/zinc/82/03/53/962820353.db2.gz HMKQLVNUUZEYLZ-VIFPVBQESA-N -1 0 335.306 3.501 20 0 EHADRM Cn1c(C(=O)[O-])ccc1[C@H]1CCCCN1C(=O)CC1(C)CCCC1 ZINC001520204668 962851603 /nfs/dbraw/zinc/85/16/03/962851603.db2.gz CNSAXAKDARSYKO-OAHLLOKOSA-N -1 0 332.444 3.747 20 0 EHADRM Cn1c(C(=O)[O-])ccc1[C@H]1CCCCN1C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001526766933 962908876 /nfs/dbraw/zinc/90/88/76/962908876.db2.gz WOIVYWYZMLAHCN-GDBMZVCRSA-N -1 0 344.455 3.747 20 0 EHADRM Cn1c(C(=O)[O-])ccc1[C@@H]1CCCCN1C(=O)[C@H]1CCCC2(CC2)C1 ZINC001526766936 962908951 /nfs/dbraw/zinc/90/89/51/962908951.db2.gz WOIVYWYZMLAHCN-HOCLYGCPSA-N -1 0 344.455 3.747 20 0 EHADRM C=C/C=C\CC(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC001573351412 962978599 /nfs/dbraw/zinc/97/85/99/962978599.db2.gz SWLAPKKAEJLBLD-ARJAWSKDSA-N -1 0 338.407 3.704 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000314259188 963732500 /nfs/dbraw/zinc/73/25/00/963732500.db2.gz MCAUNWFWIOJBLX-UHFFFAOYSA-N -1 0 329.299 3.646 20 0 EHADRM CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccccc1C(=O)[O-] ZINC000314723351 963797422 /nfs/dbraw/zinc/79/74/22/963797422.db2.gz PJYBPYLDIXHCKB-UHFFFAOYSA-N -1 0 338.190 3.964 20 0 EHADRM Cc1cc(C(=O)[O-])c(NC(=O)CSc2ccc(F)c(F)c2)s1 ZINC000316390090 964007372 /nfs/dbraw/zinc/00/73/72/964007372.db2.gz YGFRLDAKHZCUHJ-UHFFFAOYSA-N -1 0 343.376 3.764 20 0 EHADRM CCC(CC)(CNC(=O)N[C@H](C)c1ccccc1Cl)C(=O)[O-] ZINC000316554711 964024783 /nfs/dbraw/zinc/02/47/83/964024783.db2.gz DEKZOKGKRZRTLQ-LLVKDONJSA-N -1 0 326.824 3.591 20 0 EHADRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N(C)CC3CCCCC3)n2)c1 ZINC000538002044 1032073481 /nfs/dbraw/zinc/07/34/81/1032073481.db2.gz IHRXOSGLUAQTEY-UHFFFAOYSA-N -1 0 345.418 3.678 20 0 EHADRM C[C@@H](Cc1cccs1)NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000316960443 964080542 /nfs/dbraw/zinc/08/05/42/964080542.db2.gz ZQKYHULJXBODCQ-VIFPVBQESA-N -1 0 338.816 3.852 20 0 EHADRM CCC(CC)(CNC(=O)c1cc(Cl)ccc1OC(F)F)C(=O)[O-] ZINC000236879235 967780241 /nfs/dbraw/zinc/78/02/41/967780241.db2.gz QSSDZOBEAUPZNG-UHFFFAOYSA-N -1 0 349.761 3.562 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000237936798 967784799 /nfs/dbraw/zinc/78/47/99/967784799.db2.gz JVASDGBXKRTTIC-ZDUSSCGKSA-N -1 0 329.318 3.565 20 0 EHADRM CCn1cc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])c2ccccc21 ZINC000262217640 967814161 /nfs/dbraw/zinc/81/41/61/967814161.db2.gz YJEXMNSJCOCTPP-AWEZNQCLSA-N -1 0 328.412 3.521 20 0 EHADRM C[C@H](C(=O)N([C@@H](C)C(=O)[O-])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000262566417 967824301 /nfs/dbraw/zinc/82/43/01/967824301.db2.gz BKGYSRZQHIUWKY-IUCAKERBSA-N -1 0 330.211 3.561 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)c1cccc(Oc2ccccc2)c1)C1CC1 ZINC000262633916 967824757 /nfs/dbraw/zinc/82/47/57/967824757.db2.gz OXSYSQMKOZIQPE-CYBMUJFWSA-N -1 0 325.364 3.557 20 0 EHADRM C[C@@H](CC(=O)N1CCC[C@]1(C)C(=O)[O-])c1ccccc1C(F)(F)F ZINC000263418365 967891123 /nfs/dbraw/zinc/89/11/23/967891123.db2.gz IIOUPAKTIMRSFW-MEDUHNTESA-N -1 0 343.345 3.665 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN1C(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC000263434108 967893055 /nfs/dbraw/zinc/89/30/55/967893055.db2.gz LDMBJUYZADOVFT-HXUWFJFHSA-N -1 0 337.375 3.594 20 0 EHADRM O=C([O-])CCCCNC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000315979938 967975485 /nfs/dbraw/zinc/97/54/85/967975485.db2.gz OCOOQTXUAOVHIU-UHFFFAOYSA-N -1 0 338.713 3.735 20 0 EHADRM O=C([O-])[C@H]1CCCN1C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000324624011 968033156 /nfs/dbraw/zinc/03/31/56/968033156.db2.gz RSVVMRWULITKBZ-MRXNPFEDSA-N -1 0 326.352 3.560 20 0 EHADRM C[C@H](CCNC(=O)Nc1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC000325763458 968041287 /nfs/dbraw/zinc/04/12/87/968041287.db2.gz SNTBOPPFDHWJPH-CQSZACIVSA-N -1 0 326.396 3.629 20 0 EHADRM C[C@H](CCOCc1ccccc1)NC(=O)Nc1ccccc1C(=O)[O-] ZINC000389607732 968167402 /nfs/dbraw/zinc/16/74/02/968167402.db2.gz DDJFBMYBFAUYPO-CQSZACIVSA-N -1 0 342.395 3.502 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)/C=C/c2cc(Cl)cc(Cl)c2)C1 ZINC000398772266 968276812 /nfs/dbraw/zinc/27/68/12/968276812.db2.gz CWJBUFAKPHTLKI-RXUHEVMZSA-N -1 0 342.222 3.576 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2sc3ccccc3c2Cl)C1 ZINC000398837596 968280481 /nfs/dbraw/zinc/28/04/81/968280481.db2.gz NSDGYNGGTNCJGU-ZJUUUORDSA-N -1 0 337.828 3.738 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)NCCCCCC(=O)[O-] ZINC000414630900 968338970 /nfs/dbraw/zinc/33/89/70/968338970.db2.gz VCWAHXOSNFBWSP-HLLBOEOZSA-N -1 0 332.444 3.608 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCc1ccc(-c2ccccc2)o1 ZINC000422580329 968348005 /nfs/dbraw/zinc/34/80/05/968348005.db2.gz KLDDLIPCPLXWMR-HOCLYGCPSA-N -1 0 341.407 3.591 20 0 EHADRM C[C@@H]1CCCN(Cc2csc(-c3ccc(F)cc3)n2)[C@H]1C(=O)[O-] ZINC000424276390 968355680 /nfs/dbraw/zinc/35/56/80/968355680.db2.gz YJVNPLVWPPQNSD-IAQYHMDHSA-N -1 0 334.416 3.634 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000564925570 968422185 /nfs/dbraw/zinc/42/21/85/968422185.db2.gz SYZXKJWPZMQKHS-OSAQELSMSA-N -1 0 344.411 3.554 20 0 EHADRM CC[C@H](NC(=O)N1CCC(C)(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000646141852 968559565 /nfs/dbraw/zinc/55/95/65/968559565.db2.gz XDGKNBCDXVGGTN-AWEZNQCLSA-N -1 0 338.835 3.687 20 0 EHADRM CCc1cccc2c(CC(=O)NC[C@H](CC(=O)[O-])CC(C)C)c[nH]c21 ZINC000652087087 968613357 /nfs/dbraw/zinc/61/33/57/968613357.db2.gz VESRXYSEIKPYLM-AWEZNQCLSA-N -1 0 344.455 3.526 20 0 EHADRM CSc1ccsc1C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653334857 968665989 /nfs/dbraw/zinc/66/59/89/968665989.db2.gz INSSHNWPWUNABT-VXGBXAGGSA-N -1 0 333.434 3.513 20 0 EHADRM Cc1nc(-c2ccccc2NC(=O)NC[C@H](C(=O)[O-])C(C)C)cs1 ZINC000653544989 968676789 /nfs/dbraw/zinc/67/67/89/968676789.db2.gz RRXYHILAXNWSCN-ZDUSSCGKSA-N -1 0 347.440 3.597 20 0 EHADRM C[C@H](Nc1ccnc(-c2ccccc2)n1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656091522 968716138 /nfs/dbraw/zinc/71/61/38/968716138.db2.gz FNZSTRMWCZGWDT-AEGPPILISA-N -1 0 325.412 3.691 20 0 EHADRM Cc1c(NC(=O)C2(C(=O)[O-])CCCCCC2)cnn1-c1ccccc1 ZINC000663045014 968770437 /nfs/dbraw/zinc/77/04/37/968770437.db2.gz VAOHJZXRJVBRBP-UHFFFAOYSA-N -1 0 341.411 3.544 20 0 EHADRM CC(C)=CCCNC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666543571 968843116 /nfs/dbraw/zinc/84/31/16/968843116.db2.gz UFINGCOGGXLHBC-UHFFFAOYSA-N -1 0 330.428 3.630 20 0 EHADRM COc1cc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c(C)cc1C ZINC000899313290 969419244 /nfs/dbraw/zinc/41/92/44/969419244.db2.gz JEBXHNIPPQXEJN-CQSZACIVSA-N -1 0 334.416 3.563 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)Nc2cccc(N3CCCCC3)c2)co1 ZINC000901918398 969491286 /nfs/dbraw/zinc/49/12/86/969491286.db2.gz BEIIUSUISODMBW-FPLPWBNLSA-N -1 0 340.379 3.620 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2nc(-c3ccccc3)cs2)C1 ZINC001341111234 969747139 /nfs/dbraw/zinc/74/71/39/969747139.db2.gz RYMDUTDVQYAQRQ-GOSISDBHSA-N -1 0 344.436 3.527 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cccc3c(C)c(C)[nH]c32)C1 ZINC001358237707 969785793 /nfs/dbraw/zinc/78/57/93/969785793.db2.gz HPUAARKWTQDVBW-LJQANCHMSA-N -1 0 328.412 3.502 20 0 EHADRM Cc1ccc(C(=O)Nc2ccnc(C(=O)[O-])c2)c(Cl)c1Cl ZINC001574356628 969856971 /nfs/dbraw/zinc/85/69/71/969856971.db2.gz BTPJCHZDOMYLBI-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM CCN(C(=O)Nc1c(C)c(Br)ccc1C(=O)[O-])C(C)C ZINC000548264073 1021950263 /nfs/dbraw/zinc/95/02/63/1021950263.db2.gz JCSSIPXNCXRKHZ-UHFFFAOYSA-N -1 0 343.221 3.718 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)N1CC2(CCCC2)[C@H]1c1ccco1 ZINC001606546395 970314411 /nfs/dbraw/zinc/31/44/11/970314411.db2.gz OQGSOUOIIYYMNX-OAHLLOKOSA-N -1 0 341.367 3.522 20 0 EHADRM Cc1ccc(NC(=O)c2cc(Cl)c(N)c(Cl)c2)c(C(=O)[O-])c1 ZINC000317139035 970331663 /nfs/dbraw/zinc/33/16/63/970331663.db2.gz VFVCWSFGUJUVQR-UHFFFAOYSA-N -1 0 339.178 3.835 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000318869732 970483255 /nfs/dbraw/zinc/48/32/55/970483255.db2.gz JZWCDEHKCRSZKC-LLVKDONJSA-N -1 0 326.824 3.543 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)c1ccc(Cl)c(F)c1 ZINC000318884885 970485539 /nfs/dbraw/zinc/48/55/39/970485539.db2.gz NEDDZNOASTYMPK-AWEZNQCLSA-N -1 0 327.783 3.633 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cc(C)c(F)cc1Cl)C(=O)[O-] ZINC000319262105 970518477 /nfs/dbraw/zinc/51/84/77/970518477.db2.gz ZCBWQIMWNAQZHI-UHFFFAOYSA-N -1 0 330.787 3.800 20 0 EHADRM CSC[C@@H]1CCCN(C(=O)Nc2cccc(Cl)c2C(=O)[O-])C1 ZINC000319360816 970529591 /nfs/dbraw/zinc/52/95/91/970529591.db2.gz BEOZOSLCSOHQQT-SNVBAGLBSA-N -1 0 342.848 3.645 20 0 EHADRM O=C([O-])c1cc(NC(=O)/C=C\c2ccc(Cl)cc2)c(F)cc1F ZINC000319724758 970565607 /nfs/dbraw/zinc/56/56/07/970565607.db2.gz GFPYDRLOQOBHSI-UTCJRWHESA-N -1 0 337.709 3.968 20 0 EHADRM Cc1cc(NC(=O)Cc2ccc(C(F)(F)F)cc2)sc1C(=O)[O-] ZINC000319866425 970581348 /nfs/dbraw/zinc/58/13/48/970581348.db2.gz SKNVBZFRBZYNHF-UHFFFAOYSA-N -1 0 343.326 3.955 20 0 EHADRM COc1cc(NC(=O)c2cccc(Cl)c2Cl)ccc1C(=O)[O-] ZINC000319945611 970593022 /nfs/dbraw/zinc/59/30/22/970593022.db2.gz IYSCXMHVDKTTCS-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM Cc1ccc(NC(=O)[C@@H](C)Oc2ccccc2Cl)c(C(=O)[O-])c1 ZINC000320660713 970693594 /nfs/dbraw/zinc/69/35/94/970693594.db2.gz LOCBBPPYIJIWEQ-LLVKDONJSA-N -1 0 333.771 3.753 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2ccc(C(F)(F)F)nc2)s1 ZINC000320665512 970694949 /nfs/dbraw/zinc/69/49/49/970694949.db2.gz KQKRDOXICVCDSB-UHFFFAOYSA-N -1 0 344.314 3.675 20 0 EHADRM O=C([O-])c1ccc(CSc2nnc(C3CC3)n2C2CC2)c(F)c1 ZINC000320733872 970707863 /nfs/dbraw/zinc/70/78/63/970707863.db2.gz ODSONYUGXPHQIK-UHFFFAOYSA-N -1 0 333.388 3.620 20 0 EHADRM Cc1c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cccc1C(=O)[O-] ZINC000321075952 970740774 /nfs/dbraw/zinc/74/07/74/970740774.db2.gz GUSVECHVNKUEQF-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM Cc1c(Cl)ccc2c1CN(C(=O)c1cccc(C(=O)[O-])c1)CC2 ZINC001600015695 970750116 /nfs/dbraw/zinc/75/01/16/970750116.db2.gz GSFRHOLXKBPGLP-UHFFFAOYSA-N -1 0 329.783 3.545 20 0 EHADRM CSc1ccc(F)cc1CNC(=O)Nc1ccccc1C(=O)[O-] ZINC001604964840 972553248 /nfs/dbraw/zinc/55/32/48/972553248.db2.gz JLONLFHNODPEBI-UHFFFAOYSA-N -1 0 334.372 3.568 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)Nc1ccccc1CCC(F)(F)F ZINC001604157668 972572094 /nfs/dbraw/zinc/57/20/94/972572094.db2.gz RUEMFKRLYKLGGG-UHFFFAOYSA-N -1 0 332.322 3.510 20 0 EHADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1cc(-c2ccccc2)ccc1Cl ZINC001605839496 972573309 /nfs/dbraw/zinc/57/33/09/972573309.db2.gz HHJNBYSVBDANKN-HDJSIYSDSA-N -1 0 329.783 3.600 20 0 EHADRM C[C@@H](NC(=O)Nc1ccccc1OCc1cccc(Cl)c1)C(=O)[O-] ZINC001604988838 972578609 /nfs/dbraw/zinc/57/86/09/972578609.db2.gz BMLOAGKCIBBIPC-LLVKDONJSA-N -1 0 348.786 3.514 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N[C@H]1CC(C)(C)CCc2ccccc21 ZINC001603329757 972696541 /nfs/dbraw/zinc/69/65/41/972696541.db2.gz WWRBSOVQZZJLKM-MGPUTAFESA-N -1 0 329.440 3.707 20 0 EHADRM O=C(NCc1ccc(Cl)s1)c1cccc(Br)c1[O-] ZINC000520717150 1024510308 /nfs/dbraw/zinc/51/03/08/1024510308.db2.gz YUTQUCDGVXTHFM-UHFFFAOYSA-N -1 0 346.633 3.800 20 0 EHADRM C[C@H](Cc1cncc2ccccc21)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001604240306 972755991 /nfs/dbraw/zinc/75/59/91/972755991.db2.gz FGVJKTLJYVTTNO-CQSZACIVSA-N -1 0 348.402 3.679 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)NCC2CCC(C(C)(C)C)CC2)C1 ZINC001603363112 972839127 /nfs/dbraw/zinc/83/91/27/972839127.db2.gz QTPNMYNYMXNXET-UIDBIOKJSA-N -1 0 338.492 3.591 20 0 EHADRM Cc1cc(F)cc(C)c1C(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC001605179161 972892366 /nfs/dbraw/zinc/89/23/66/972892366.db2.gz HGRMWNCVXDZCAT-UHFFFAOYSA-N -1 0 327.355 3.734 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1 ZINC000396513889 972911324 /nfs/dbraw/zinc/91/13/24/972911324.db2.gz SHVSNMDZTKGMME-SNVBAGLBSA-N -1 0 335.306 3.728 20 0 EHADRM O=C([O-])C1(C(=O)Oc2cnc3ccc(F)cc3c2)CCCCCC1 ZINC001605951682 972916236 /nfs/dbraw/zinc/91/62/36/972916236.db2.gz YUVLOSWOBICFIO-UHFFFAOYSA-N -1 0 331.343 3.705 20 0 EHADRM Cc1cc(NC(=O)N(C)Cc2c(F)cccc2F)ccc1C(=O)[O-] ZINC001605200611 972926055 /nfs/dbraw/zinc/92/60/55/972926055.db2.gz CKJXIDSUMWMVHT-UHFFFAOYSA-N -1 0 334.322 3.635 20 0 EHADRM Cc1ccc(Cl)c2sc(NC(=O)[C@@]3(C(=O)[O-])CC3(C)C)nc21 ZINC001605277399 973065941 /nfs/dbraw/zinc/06/59/41/973065941.db2.gz DJWNMKWIJPLOAP-OAHLLOKOSA-N -1 0 338.816 3.698 20 0 EHADRM Cc1ccc(NC(=O)N2CC[C@H](C(=O)[O-])C2)cc1-c1ccsc1 ZINC001605289203 973101083 /nfs/dbraw/zinc/10/10/83/973101083.db2.gz VDLGOJUYWUQKCF-LBPRGKRZSA-N -1 0 330.409 3.662 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(-c3cccc(F)c3)s2)C[C@@H]1C(=O)[O-] ZINC001603425790 973152383 /nfs/dbraw/zinc/15/23/83/973152383.db2.gz USDMQEOLJJXEIV-RISCZKNCSA-N -1 0 347.411 3.737 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1Cc1c(Cl)cncc1Cl ZINC001606055914 973165481 /nfs/dbraw/zinc/16/54/81/973165481.db2.gz DAXXSFBBGCLGIJ-OAHLLOKOSA-N -1 0 337.206 3.572 20 0 EHADRM O=C([O-])CC1(C(=O)N2CCCc3c2cccc3C(F)(F)F)CCC1 ZINC001606070415 973212333 /nfs/dbraw/zinc/21/23/33/973212333.db2.gz GQKIFIADVWXOPV-UHFFFAOYSA-N -1 0 341.329 3.630 20 0 EHADRM Cc1cccc(C2(C(=O)N(CC(=O)[O-])CC3CC3)CCCCC2)c1 ZINC001605335716 973220880 /nfs/dbraw/zinc/22/08/80/973220880.db2.gz KATSEJZXKHNSNS-UHFFFAOYSA-N -1 0 329.440 3.520 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CC[C@H]1C(=O)[O-] ZINC001603454212 973273319 /nfs/dbraw/zinc/27/33/19/973273319.db2.gz RFDNAQLLKHKCRL-WCBMZHEXSA-N -1 0 349.736 3.542 20 0 EHADRM Cc1cn(CC(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)c2ccccc12 ZINC001605367035 973305351 /nfs/dbraw/zinc/30/53/51/973305351.db2.gz LUBZKQUMWUGQOS-QGZVFWFLSA-N -1 0 348.402 3.555 20 0 EHADRM Cc1csc(Nc2ccc(C(=O)NC(C)(C)CCC(=O)[O-])cc2)n1 ZINC001605385809 973351963 /nfs/dbraw/zinc/35/19/63/973351963.db2.gz CKTAZHNAXUBUPM-UHFFFAOYSA-N -1 0 347.440 3.568 20 0 EHADRM C[C@@H]1Cc2c(C(=O)[O-])c(NC(=O)c3ccccc3)sc2[C@@H](C)O1 ZINC001603474261 973354383 /nfs/dbraw/zinc/35/43/83/973354383.db2.gz AXIRVAGZKNGLOE-NXEZZACHSA-N -1 0 331.393 3.721 20 0 EHADRM C[C@H]1O[C@@H](C)Cc2c1sc(NC(=O)C1(F)CCCC1)c2C(=O)[O-] ZINC001603474632 973356850 /nfs/dbraw/zinc/35/68/50/973356850.db2.gz DDGIRRDMGCOWGH-DTWKUNHWSA-N -1 0 341.404 3.689 20 0 EHADRM CC(C)SCC(=O)Nc1sc2c(c1C(=O)[O-])C[C@H](C)O[C@@H]2C ZINC001603476528 973371104 /nfs/dbraw/zinc/37/11/04/973371104.db2.gz XMJWRJFOYWTLNC-DTWKUNHWSA-N -1 0 343.470 3.549 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1nnc(-c2cc3ccccc3o2)s1 ZINC001606146091 973401239 /nfs/dbraw/zinc/40/12/39/973401239.db2.gz ILRZZWGQZIPUJV-UHFFFAOYSA-N -1 0 345.380 3.535 20 0 EHADRM O=C([O-])CCc1cccc(NCc2cnn(Cc3ccccc3)c2)c1 ZINC001606215873 973466136 /nfs/dbraw/zinc/46/61/36/973466136.db2.gz UOBOZOAFEJDHJV-UHFFFAOYSA-N -1 0 335.407 3.561 20 0 EHADRM O=C([O-])CCc1nc(C(F)(F)c2ccc(Cl)c(Cl)c2)no1 ZINC001606216175 973468502 /nfs/dbraw/zinc/46/85/02/973468502.db2.gz MHWFNDWFYZQUHX-UHFFFAOYSA-N -1 0 337.109 3.534 20 0 EHADRM Cc1occc1CN(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001605459758 973548369 /nfs/dbraw/zinc/54/83/69/973548369.db2.gz KONBVLMBBPQZEF-UHFFFAOYSA-N -1 0 340.738 3.743 20 0 EHADRM CC[C@@H](CC(F)(F)F)C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000402521522 973616891 /nfs/dbraw/zinc/61/68/91/973616891.db2.gz OOPAPCGLLLTGNY-WCQYABFASA-N -1 0 331.334 3.687 20 0 EHADRM CC[C@@H](CC(F)(F)F)C(=O)N(CCC(=O)[O-])c1ccccc1C ZINC000402531546 973619963 /nfs/dbraw/zinc/61/99/63/973619963.db2.gz VJACHQJTSSODBE-LBPRGKRZSA-N -1 0 331.334 3.781 20 0 EHADRM Cc1nc(Cl)c(Cl)cc1C(=O)NCCCCCCCC(=O)[O-] ZINC000403079430 973659968 /nfs/dbraw/zinc/65/99/68/973659968.db2.gz FOZKWNYWOOHYAG-UHFFFAOYSA-N -1 0 347.242 3.852 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)Nc1ccc2c(c1)CCCO2 ZINC000403263471 973669404 /nfs/dbraw/zinc/66/94/04/973669404.db2.gz QWNNNSWEILEIFX-UHFFFAOYSA-N -1 0 334.416 3.558 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2ccc(C(F)(F)F)c(F)c2)c1 ZINC001606312331 973726481 /nfs/dbraw/zinc/72/64/81/973726481.db2.gz LBDMOTDMHDGRRX-UHFFFAOYSA-N -1 0 341.260 3.724 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)Nc2ccc3c(c2)CCCCC3)cc1 ZINC000404680959 973741713 /nfs/dbraw/zinc/74/17/13/973741713.db2.gz CMSFQCMKPMCAHE-UHFFFAOYSA-N -1 0 338.407 3.975 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)N1CCc2ccccc2[C@H](C)C1 ZINC000404820007 973752069 /nfs/dbraw/zinc/75/20/69/973752069.db2.gz DCCDDVOSPKWGRP-CQSZACIVSA-N -1 0 338.407 3.887 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@H](C)c2cc(C)cc(C)c2)C1 ZINC001603600140 973831485 /nfs/dbraw/zinc/83/14/85/973831485.db2.gz GINWWBCVRFSFBE-DNVCBOLYSA-N -1 0 332.444 3.651 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@H](C)c2ccc3c(c2)CCC3)C1 ZINC001603601736 973858724 /nfs/dbraw/zinc/85/87/24/973858724.db2.gz YHJFLZJNTNITRJ-JLTOFOAXSA-N -1 0 344.455 3.523 20 0 EHADRM O=C([O-])c1c(NC(=O)c2coc3ccccc32)sc2c1COCC2 ZINC001606460329 973914956 /nfs/dbraw/zinc/91/49/56/973914956.db2.gz RBANAIWMZUPGKX-UHFFFAOYSA-N -1 0 343.360 3.518 20 0 EHADRM COc1cc(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)cc(OC)c1C(C)C ZINC001604722076 973928214 /nfs/dbraw/zinc/92/82/14/973928214.db2.gz PINZOSJZFMTNJJ-KRWDZBQOSA-N -1 0 349.427 3.657 20 0 EHADRM COC(=O)c1cc2cccc(NC(=O)CC(C)(C)CC(=O)[O-])c2s1 ZINC000414083143 973930964 /nfs/dbraw/zinc/93/09/64/973930964.db2.gz CZNHIYVYNYFYGH-UHFFFAOYSA-N -1 0 349.408 3.517 20 0 EHADRM CC[C@H]1CCc2nc(NC(=O)c3coc(/C=C\C(=O)[O-])c3)sc2C1 ZINC001603625085 973933888 /nfs/dbraw/zinc/93/38/88/973933888.db2.gz RQZOSBHMODBLBP-OAQKJQOQSA-N -1 0 346.408 3.601 20 0 EHADRM CC[C@H](C)OCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](CC)C2 ZINC001603625508 973935307 /nfs/dbraw/zinc/93/53/07/973935307.db2.gz XWGNJYHQCNLKSM-QWRGUYRKSA-N -1 0 339.457 3.715 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cnc(C(C)(C)C)s2)c1 ZINC000414447324 973940107 /nfs/dbraw/zinc/94/01/07/973940107.db2.gz KNKYPMXEZHGOJS-SNVBAGLBSA-N -1 0 332.425 3.881 20 0 EHADRM COc1cc(Oc2ccccc2)ccc1NC(=O)[C@H](C(=O)[O-])C1CC1 ZINC001604739245 973947752 /nfs/dbraw/zinc/94/77/52/973947752.db2.gz JYQZCCIHSIXCFH-QGZVFWFLSA-N -1 0 341.363 3.537 20 0 EHADRM C[C@H]1CCc2nc(CN[C@H](CC3CCCCC3)C(=O)[O-])sc2C1 ZINC000417611949 973965314 /nfs/dbraw/zinc/96/53/14/973965314.db2.gz QKJCDBMIAAGSDY-SWLSCSKDSA-N -1 0 336.501 3.781 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@@H]2CSC[C@H]2c2ccccc2)cc1 ZINC001606495211 973979760 /nfs/dbraw/zinc/97/97/60/973979760.db2.gz ORUSLKJZRUIQOJ-DLBZAZTESA-N -1 0 342.416 3.575 20 0 EHADRM CCCCC1CCC(CNC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)CC1 ZINC001603641404 973990320 /nfs/dbraw/zinc/99/03/20/973990320.db2.gz MZTGNVIDGDRKTP-VXLLPVPCSA-N -1 0 338.492 3.735 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CC3(CCCC3)[C@H]2c2ccco2)c1 ZINC001606504341 973996566 /nfs/dbraw/zinc/99/65/66/973996566.db2.gz RAFODABOJMCEGX-MRXNPFEDSA-N -1 0 325.364 3.735 20 0 EHADRM CCCCOc1cccc(NC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)c1 ZINC001603652671 974017053 /nfs/dbraw/zinc/01/70/53/974017053.db2.gz ZVIVLNNXLRJNRE-ZIAGYGMSSA-N -1 0 334.416 3.583 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000424524619 974038288 /nfs/dbraw/zinc/03/82/88/974038288.db2.gz LGJFSZUQDRRIHX-MRXNPFEDSA-N -1 0 325.408 3.830 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000425228720 974039245 /nfs/dbraw/zinc/03/92/45/974039245.db2.gz AUVBZWZUQQGHHY-HNNXBMFYSA-N -1 0 341.407 3.666 20 0 EHADRM O=C([O-])c1coc(CNCc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000426714591 974046231 /nfs/dbraw/zinc/04/62/31/974046231.db2.gz NGDPJAPPLKBIBY-UHFFFAOYSA-N -1 0 333.693 3.940 20 0 EHADRM CCC[C@@](C)(NC(=O)c1cc(C2CC2)nc2ccc(C)cc21)C(=O)[O-] ZINC000431451042 974065458 /nfs/dbraw/zinc/06/54/58/974065458.db2.gz HKZAELKJBYKFPT-HXUWFJFHSA-N -1 0 340.423 3.794 20 0 EHADRM O=C([O-])C1(NC(=O)/C=C\c2ccsc2C(F)(F)F)CCCCC1 ZINC001605668044 974068340 /nfs/dbraw/zinc/06/83/40/974068340.db2.gz MKBMMFLNMIETDX-PLNGDYQASA-N -1 0 347.358 3.684 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1occc1Br ZINC000431993513 974081893 /nfs/dbraw/zinc/08/18/93/974081893.db2.gz SNNFKLZKPGNEEA-UHFFFAOYSA-N -1 0 338.157 3.609 20 0 EHADRM Cc1cc(CNC(=O)CCc2ccccc2C(=O)[O-])ccc1Cl ZINC000432121219 974090276 /nfs/dbraw/zinc/09/02/76/974090276.db2.gz VASJRQKCAOMQFT-UHFFFAOYSA-N -1 0 331.799 3.596 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2/C=C/c2ccccc2)s1 ZINC000432128877 974091169 /nfs/dbraw/zinc/09/11/69/974091169.db2.gz HWOXNOBCJNEIKW-MYSGNRETSA-N -1 0 327.405 3.764 20 0 EHADRM CCN(C(=O)CCC(=O)[O-])[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC001603705845 974112374 /nfs/dbraw/zinc/11/23/74/974112374.db2.gz OLFAVIJNRLNNKE-GOSISDBHSA-N -1 0 346.814 3.538 20 0 EHADRM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1ccc(C2CCC2)cc1 ZINC000439919648 974112522 /nfs/dbraw/zinc/11/25/22/974112522.db2.gz LHIRNNNJPFYNGN-LJQANCHMSA-N -1 0 335.403 3.606 20 0 EHADRM COc1cccc(Cl)c1NC(=O)N[C@H](C(=O)[O-])c1cccc(C)c1 ZINC001604866800 974117074 /nfs/dbraw/zinc/11/70/74/974117074.db2.gz XACAVOGYANLTIH-AWEZNQCLSA-N -1 0 348.786 3.604 20 0 EHADRM COc1cccc2cc(CN[C@H](C(=O)[O-])c3cccc(C)c3)oc21 ZINC001604876689 974129962 /nfs/dbraw/zinc/12/99/62/974129962.db2.gz MLUAEDRWGCPQIN-KRWDZBQOSA-N -1 0 325.364 3.665 20 0 EHADRM Cc1cc(C)cc(C(=O)N[C@@](C)(CC(=O)[O-])c2cccc(F)c2)c1 ZINC000449005115 974143160 /nfs/dbraw/zinc/14/31/60/974143160.db2.gz TXDKTMRLZSVMRH-IBGZPJMESA-N -1 0 329.371 3.562 20 0 EHADRM C[C@H]1CCC[C@@H](C(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)C1 ZINC000455867479 974156121 /nfs/dbraw/zinc/15/61/21/974156121.db2.gz OVJTXPNYWOVQOT-MAUKXSAKSA-N -1 0 343.467 3.992 20 0 EHADRM CCCC[C@@H](C)C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000455930080 974171343 /nfs/dbraw/zinc/17/13/43/974171343.db2.gz NVMJHTRIPHAFSW-MFKMUULPSA-N -1 0 331.334 3.931 20 0 EHADRM Cc1cc(OCC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)ccc1Cl ZINC000472007288 974199307 /nfs/dbraw/zinc/19/93/07/974199307.db2.gz DEDWSSAZLUGDRP-UHFFFAOYSA-N -1 0 347.798 3.981 20 0 EHADRM O=C([O-])c1ccc(Cl)c(CN2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000516872677 974310640 /nfs/dbraw/zinc/31/06/40/974310640.db2.gz KRRHVYSZPOSQFY-QGZVFWFLSA-N -1 0 349.789 3.751 20 0 EHADRM O=C([O-])c1ccc(Cl)c(CN2CCO[C@H](c3cccc(F)c3)C2)c1 ZINC000517034882 974314533 /nfs/dbraw/zinc/31/45/33/974314533.db2.gz BNXOTESBEGKPNL-KRWDZBQOSA-N -1 0 349.789 3.751 20 0 EHADRM CC(C)c1ncc2c(n1)CCN(Cc1ccc(C(=O)[O-])c(Cl)c1)C2 ZINC000527617364 974352665 /nfs/dbraw/zinc/35/26/65/974352665.db2.gz HZHLSUVJASLCAQ-UHFFFAOYSA-N -1 0 345.830 3.510 20 0 EHADRM CCOc1cc2c(cc1NCc1cccc(C(=O)[O-])c1)O[C@H](C)C2 ZINC001603860069 974360959 /nfs/dbraw/zinc/36/09/59/974360959.db2.gz JNCTULUDPXUGKU-GFCCVEGCSA-N -1 0 327.380 3.719 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)Nc1cccc(Br)c1 ZINC000537473272 974383717 /nfs/dbraw/zinc/38/37/17/974383717.db2.gz NVLNWKBEERLLQX-UHFFFAOYSA-N -1 0 348.196 3.719 20 0 EHADRM Cc1c(C(=O)Nc2ccc(C)cc2C(=O)[O-])cnn1-c1ccc(C)cc1 ZINC000543447798 974418582 /nfs/dbraw/zinc/41/85/82/974418582.db2.gz XXLGVKANPOXGFO-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM Cc1cc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2Cl)sc1C ZINC000548198467 974454550 /nfs/dbraw/zinc/45/45/50/974454550.db2.gz UXXWGFZEMJHGQB-UHFFFAOYSA-N -1 0 345.829 3.517 20 0 EHADRM Cc1cc(F)cc(C)c1C(=O)N[C@@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000563449853 974532628 /nfs/dbraw/zinc/53/26/28/974532628.db2.gz JEXFACTURIYSDV-WMLDXEAASA-N -1 0 343.398 3.504 20 0 EHADRM O=C([O-])[C@H](CNC(=O)CSc1ccc2ccccc2c1)CC1CC1 ZINC000565087368 974566793 /nfs/dbraw/zinc/56/67/93/974566793.db2.gz LHACSNDJNRVLKZ-INIZCTEOSA-N -1 0 343.448 3.549 20 0 EHADRM C[C@H](NC(=O)CCc1ccccc1C(=O)[O-])[C@H]1CC2CCC1CC2 ZINC000565088158 974567066 /nfs/dbraw/zinc/56/70/66/974567066.db2.gz GGUGDTRWWZWNGE-RXVBYEJPSA-N -1 0 329.440 3.648 20 0 EHADRM Cc1ccc(C2CC2)c(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000565300122 974579011 /nfs/dbraw/zinc/57/90/11/974579011.db2.gz VLVXDPYLQKUWTI-OAQYLSRUSA-N -1 0 337.419 3.645 20 0 EHADRM CCCC[C@@H](Sc1cc(CC)nc(-c2ccccn2)n1)C(=O)[O-] ZINC000566490912 974612792 /nfs/dbraw/zinc/61/27/92/974612792.db2.gz LNGRPXQGOVRYNC-CQSZACIVSA-N -1 0 331.441 3.837 20 0 EHADRM Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)C[C@@H](C)CC(=O)[O-] ZINC000567366984 974632739 /nfs/dbraw/zinc/63/27/39/974632739.db2.gz PTUJXMNXAAMPOE-VXGBXAGGSA-N -1 0 346.452 3.797 20 0 EHADRM C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000568059207 974654835 /nfs/dbraw/zinc/65/48/35/974654835.db2.gz ZUIXGHDFOGCJDN-DIFFPNOSSA-N -1 0 349.818 3.638 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CCOc1ccccc1C(=O)[O-] ZINC000569251747 974688096 /nfs/dbraw/zinc/68/80/96/974688096.db2.gz ZODIANXMLUCJFP-KGLIPLIRSA-N -1 0 343.398 3.911 20 0 EHADRM Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)sc1-c1ccccc1 ZINC000571895023 974738259 /nfs/dbraw/zinc/73/82/59/974738259.db2.gz OVEXRRILHDSFSR-OCCSQVGLSA-N -1 0 329.421 3.659 20 0 EHADRM O=C([O-])[C@@H](c1ccsc1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000572413626 974747030 /nfs/dbraw/zinc/74/70/30/974747030.db2.gz MZOYDAGIGOEYQX-HUUCEWRRSA-N -1 0 337.828 3.601 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2ccc3c(c2)CCC=C3)nc1C1CC1 ZINC000572526744 974749925 /nfs/dbraw/zinc/74/99/25/974749925.db2.gz KRQQMSPGUJGLHM-UHFFFAOYSA-N -1 0 348.402 3.547 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CN1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000573974963 974774843 /nfs/dbraw/zinc/77/48/43/974774843.db2.gz HCMCVDVHVMRYEK-GTNSWQLSSA-N -1 0 349.814 3.902 20 0 EHADRM O=C([O-])c1ccc(OCCN2CCc3cc(F)ccc3C2)c(Cl)c1 ZINC000574644470 974785806 /nfs/dbraw/zinc/78/58/06/974785806.db2.gz RDWCWFITTLTKFQ-UHFFFAOYSA-N -1 0 349.789 3.614 20 0 EHADRM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)Cc1ccc(Br)o1 ZINC000575322503 974798185 /nfs/dbraw/zinc/79/81/85/974798185.db2.gz JOGMLXKPBSOVLG-QMMMGPOBSA-N -1 0 328.162 3.526 20 0 EHADRM O=C([O-])[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](c2ccccc2)C1 ZINC000576046181 974806936 /nfs/dbraw/zinc/80/69/36/974806936.db2.gz BXOFAQLMOHCWSG-DOTOQJQBSA-N -1 0 349.789 3.678 20 0 EHADRM C[C@H](c1ccc(Oc2ccccc2)cc1)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000576233335 974810389 /nfs/dbraw/zinc/81/03/89/974810389.db2.gz WLHZCTWFOCLWLP-BEFAXECRSA-N -1 0 341.407 3.715 20 0 EHADRM Cc1[nH]c2ccccc2c1C1CCN(C(=O)C[C@H](C)CC(=O)[O-])CC1 ZINC000576598372 974818464 /nfs/dbraw/zinc/81/84/64/974818464.db2.gz KPVRUCLWQUZROY-ZDUSSCGKSA-N -1 0 342.439 3.683 20 0 EHADRM CCCc1nc(C)c(NC(=O)Nc2cccc(CC(=O)[O-])c2)s1 ZINC000580704139 974897602 /nfs/dbraw/zinc/89/76/02/974897602.db2.gz LBIWJVKEOWSEJA-UHFFFAOYSA-N -1 0 333.413 3.675 20 0 EHADRM Cc1sc(N2CCC(C(=O)c3ccc(C)cc3)CC2)nc1C(=O)[O-] ZINC000580776689 974899940 /nfs/dbraw/zinc/89/99/40/974899940.db2.gz ZQGBBQLQMIYLEE-UHFFFAOYSA-N -1 0 344.436 3.557 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC000581255907 974908028 /nfs/dbraw/zinc/90/80/28/974908028.db2.gz QZCXRPUCUCUMSH-NSHDSACASA-N -1 0 341.860 3.683 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@H](CCc1ccccc1)c1ccccc1 ZINC000582370089 974924896 /nfs/dbraw/zinc/92/48/96/974924896.db2.gz FNBYJMQIFQOKMO-VQIMIIECSA-N -1 0 339.435 3.978 20 0 EHADRM O=C([O-])c1cc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)cs1 ZINC000583214275 974937945 /nfs/dbraw/zinc/93/79/45/974937945.db2.gz DEIJETNAHIKUTH-CQSZACIVSA-N -1 0 337.828 3.673 20 0 EHADRM C[C@H]1CN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC(C)(C)O1 ZINC000583386831 974940759 /nfs/dbraw/zinc/94/07/59/974940759.db2.gz NSDLYWSVDHGJOG-TVQRCGJNSA-N -1 0 332.227 3.618 20 0 EHADRM CC(C)(CC(F)(F)F)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000595245516 974993284 /nfs/dbraw/zinc/99/32/84/974993284.db2.gz UFETWJIBZSJPJL-UHFFFAOYSA-N -1 0 349.374 3.922 20 0 EHADRM CCCC[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)cc1)C(C)C ZINC000621533144 975027091 /nfs/dbraw/zinc/02/70/91/975027091.db2.gz XSFSSYSZRWQBNR-IRXDYDNUSA-N -1 0 335.444 3.790 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1[nH]c2ccccc2c1Cl)c1cccs1 ZINC000621564965 975032395 /nfs/dbraw/zinc/03/23/95/975032395.db2.gz LIXXMWDZWWDFJO-NSHDSACASA-N -1 0 348.811 3.829 20 0 EHADRM Cc1csc(-c2cccc(C(=O)N3CCCCC[C@H]3C(=O)[O-])c2)n1 ZINC000621567937 975035267 /nfs/dbraw/zinc/03/52/67/975035267.db2.gz HRRGOGLOEUHVCY-HNNXBMFYSA-N -1 0 344.436 3.588 20 0 EHADRM CCC[C@H](C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC000621608441 975057120 /nfs/dbraw/zinc/05/71/20/975057120.db2.gz RIFJJCVBWLWKFP-YPMHNXCESA-N -1 0 332.425 3.602 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000621610991 975059856 /nfs/dbraw/zinc/05/98/56/975059856.db2.gz UFZXYXZKIAWWJN-VXGBXAGGSA-N -1 0 332.425 3.521 20 0 EHADRM C[C@@H](NC(=O)[C@@H](C)c1ccc(Cl)s1)c1ncc(C(=O)[O-])s1 ZINC000621611818 975060913 /nfs/dbraw/zinc/06/09/13/975060913.db2.gz LZMHYNKDDAFNJN-NKWVEPMBSA-N -1 0 344.845 3.537 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N3CCCC(F)(F)CC3)c12 ZINC000629384107 975093060 /nfs/dbraw/zinc/09/30/60/975093060.db2.gz HVVXLTIMLPCQBN-UHFFFAOYSA-N -1 0 341.383 3.632 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)C[C@H](C)c1ccco1)C(=O)[O-] ZINC000630123080 975110879 /nfs/dbraw/zinc/11/08/79/975110879.db2.gz OZNITTNZCGPLRQ-LSDHHAIUSA-N -1 0 329.396 3.523 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000630135576 975120592 /nfs/dbraw/zinc/12/05/92/975120592.db2.gz PWKXNFLNXNEXMY-QZTJIDSGSA-N -1 0 341.382 3.676 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C2(C)CCC(F)(F)CC2)C1 ZINC000630155422 975132981 /nfs/dbraw/zinc/13/29/81/975132981.db2.gz AFBIFOFOJAAKQN-GFCCVEGCSA-N -1 0 331.403 3.551 20 0 EHADRM CCOc1cccc(CCC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000630161817 975136891 /nfs/dbraw/zinc/13/68/91/975136891.db2.gz QQYQJMUJCWSGOD-UHFFFAOYSA-N -1 0 341.407 3.972 20 0 EHADRM O=C([O-])c1cncc(C(=O)N2CCCC[C@H]2c2cccc(Cl)c2)c1 ZINC000630181793 975145277 /nfs/dbraw/zinc/14/52/77/975145277.db2.gz VJCUHKQBUGLWDS-INIZCTEOSA-N -1 0 344.798 3.801 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2CCCC23CC3)c(OC(F)F)c1 ZINC000630218496 975164892 /nfs/dbraw/zinc/16/48/92/975164892.db2.gz GTDUEYRUQGYKPQ-SNVBAGLBSA-N -1 0 325.311 3.505 20 0 EHADRM O=C([O-])c1coc(C(=O)N(Cc2ccccc2Cl)CC2CC2)c1 ZINC000630228487 975176103 /nfs/dbraw/zinc/17/61/03/975176103.db2.gz IQXZXUJLAWGXEI-UHFFFAOYSA-N -1 0 333.771 3.684 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000630229965 975177527 /nfs/dbraw/zinc/17/75/27/975177527.db2.gz BWEMESSZGIAUKD-OAHLLOKOSA-N -1 0 345.345 3.683 20 0 EHADRM CC(C)=C[C@H]1[C@@H](C(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)C1(C)C ZINC000630237593 975182833 /nfs/dbraw/zinc/18/28/33/975182833.db2.gz CLTJUNIWLUNRKN-RDJZCZTQSA-N -1 0 345.414 3.647 20 0 EHADRM C[C@@H](Oc1ccc(NC(=O)CCCc2ccccc2)cc1F)C(=O)[O-] ZINC000630257942 975201088 /nfs/dbraw/zinc/20/10/88/975201088.db2.gz HDGJRVDWGLWVBP-CYBMUJFWSA-N -1 0 345.370 3.639 20 0 EHADRM CC1(C)[C@H](c2ccc(F)cc2)CCN1C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000630267057 975211294 /nfs/dbraw/zinc/21/12/94/975211294.db2.gz GDDUSZACOAPHGH-INMHGKMJSA-N -1 0 347.430 3.811 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(C3CCOCC3)c2)c(F)c1 ZINC000630268810 975212450 /nfs/dbraw/zinc/21/24/50/975212450.db2.gz ZHJPJPWIWYTANC-UHFFFAOYSA-N -1 0 343.354 3.670 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2csc3ccccc23)[C@H]2CCC[C@H]21 ZINC000630279629 975224407 /nfs/dbraw/zinc/22/44/07/975224407.db2.gz KFETVHUUVZXPHG-LNSITVRQSA-N -1 0 329.421 3.617 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(C(=O)[O-])s1 ZINC000630295105 975234825 /nfs/dbraw/zinc/23/48/25/975234825.db2.gz PVELGVCVJVECJH-BZPMIXESSA-N -1 0 329.421 3.853 20 0 EHADRM CC(C)[C@H]1CN(C(=O)c2cccc(OCC(=O)[O-])c2)c2ccccc21 ZINC000630294405 975234980 /nfs/dbraw/zinc/23/49/80/975234980.db2.gz JAPWCIDSKJIZRB-QGZVFWFLSA-N -1 0 339.391 3.550 20 0 EHADRM CC[C@@H](c1ccccc1OC)N(C)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000630295221 975235040 /nfs/dbraw/zinc/23/50/40/975235040.db2.gz DOZPZLBRWAMTGY-KRWDZBQOSA-N -1 0 341.407 3.546 20 0 EHADRM Cc1ccc([C@H]2CCN(C(=O)CCc3ccc(C(=O)[O-])cc3)C2)cc1 ZINC000630295857 975235766 /nfs/dbraw/zinc/23/57/66/975235766.db2.gz NPRKEVKGYSCEQR-IBGZPJMESA-N -1 0 337.419 3.642 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N2CCCC[C@@H]2c2ccc(F)cc2)c1 ZINC000630296792 975236488 /nfs/dbraw/zinc/23/64/88/975236488.db2.gz HMCSQQGIXAEFLE-GOSISDBHSA-N -1 0 341.382 3.820 20 0 EHADRM Cc1cc(C(=O)N[C@@H](C)CSc2ccc(C)cc2)oc1C(=O)[O-] ZINC000630298443 975237711 /nfs/dbraw/zinc/23/77/11/975237711.db2.gz WBCSHMRWZODBPS-LBPRGKRZSA-N -1 0 333.409 3.505 20 0 EHADRM CC(C)c1ccc(C[C@H]2CCN(C(=O)CCCCC(=O)[O-])C2)cc1 ZINC000630299968 975238892 /nfs/dbraw/zinc/23/88/92/975238892.db2.gz WZBHNFRXRXWLEL-QGZVFWFLSA-N -1 0 331.456 3.846 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N(C)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000630299991 975239041 /nfs/dbraw/zinc/23/90/41/975239041.db2.gz OEUZSBHQLNFBOU-VXGBXAGGSA-N -1 0 345.361 3.596 20 0 EHADRM CCOc1ccc(N(CC2CC2)C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000630304277 975241515 /nfs/dbraw/zinc/24/15/15/975241515.db2.gz GNCYWNLPONGLKM-JKSUJKDBSA-N -1 0 345.439 3.719 20 0 EHADRM O=C([N-]S(=O)(=O)C1CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000049513504 1014246466 /nfs/dbraw/zinc/24/64/66/1014246466.db2.gz YGFIOKCCOXIUOO-UHFFFAOYSA-N -1 0 336.240 3.961 20 0 EHADRM Cc1ccc(O[C@H](C)C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)cc1 ZINC000630327248 975254136 /nfs/dbraw/zinc/25/41/36/975254136.db2.gz BVBAJNAACIGOSZ-JEBQAFNWSA-N -1 0 339.391 3.589 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000630327873 975255044 /nfs/dbraw/zinc/25/50/44/975255044.db2.gz YSIRYNCZTFDBMK-ZWKOTPCHSA-N -1 0 339.391 3.672 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H]2CCc3cc(F)ccc32)cc1 ZINC000630328470 975256259 /nfs/dbraw/zinc/25/62/59/975256259.db2.gz BVUNWAACHMQEDY-FGTMMUONSA-N -1 0 339.366 3.682 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)C[C@H]2CCc3ccccc32)cc1 ZINC000630329367 975257719 /nfs/dbraw/zinc/25/77/19/975257719.db2.gz XXQNSWMCSOCQPQ-AYOQOUSVSA-N -1 0 335.403 3.933 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000634829316 975278225 /nfs/dbraw/zinc/27/82/25/975278225.db2.gz SXVMYCHNBIURKV-VIFPVBQESA-N -1 0 329.343 3.582 20 0 EHADRM COc1cccc(CN(CC(C)C)C(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000642074161 975288270 /nfs/dbraw/zinc/28/82/70/975288270.db2.gz RXRMBPPXEPBTFO-UHFFFAOYSA-N -1 0 347.436 3.753 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)c2ccccc2n1 ZINC000642148514 975290242 /nfs/dbraw/zinc/29/02/42/975290242.db2.gz JZTFOCBMSHSKJM-HNNXBMFYSA-N -1 0 340.404 3.551 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N[C@H](CC(=O)[O-])c2cccs2)o1 ZINC000642214722 975291572 /nfs/dbraw/zinc/29/15/72/975291572.db2.gz NSOHGHFHTRAXHC-KWCYVHTRSA-N -1 0 347.436 3.729 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)ccc1F ZINC000460830697 1032086124 /nfs/dbraw/zinc/08/61/24/1032086124.db2.gz SNIIZGXJSYJGKZ-UHFFFAOYSA-N -1 0 349.305 3.675 20 0 EHADRM CC[C@H](CSc1ccccc1)NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000647164456 975357771 /nfs/dbraw/zinc/35/77/71/975357771.db2.gz WGRLBSCREGBFRS-SOUVJXGZSA-N -1 0 335.469 3.565 20 0 EHADRM COCCSc1ccc([C@H](C)Nc2ccc(C(=O)[O-])cn2)cc1 ZINC000647449758 975362414 /nfs/dbraw/zinc/36/24/14/975362414.db2.gz QGWVVWMPGHWXTR-LBPRGKRZSA-N -1 0 332.425 3.691 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000648038501 975379050 /nfs/dbraw/zinc/37/90/50/975379050.db2.gz DYJBFYBJMPHPLR-UHFFFAOYSA-N -1 0 327.380 3.943 20 0 EHADRM O=C([O-])c1ccccc1-c1ccccc1C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000649265478 975406434 /nfs/dbraw/zinc/40/64/34/975406434.db2.gz DJLVKFMJBSBCKZ-RBSFLKMASA-N -1 0 335.403 3.970 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2CCCC(C)(C)C2)cc1 ZINC000649353233 975407067 /nfs/dbraw/zinc/40/70/67/975407067.db2.gz OYPFBSRDIFUNNQ-GDBMZVCRSA-N -1 0 333.428 3.544 20 0 EHADRM Cc1c2cccc(C)c2oc1CN(C)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000650291403 975430797 /nfs/dbraw/zinc/43/07/97/975430797.db2.gz RAPKXTKYQJECOW-GJZGRUSLSA-N -1 0 343.423 3.899 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)[C@@H]2C[C@H]2C2CCCC2)cc1Cl ZINC000652063815 975463614 /nfs/dbraw/zinc/46/36/14/975463614.db2.gz VZMCQGJMINMKQJ-QWHCGFSZSA-N -1 0 337.803 3.568 20 0 EHADRM C[C@H](C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000652065104 975464995 /nfs/dbraw/zinc/46/49/95/975464995.db2.gz MFEHLEWBQPTGOE-SJCJKPOMSA-N -1 0 343.810 3.654 20 0 EHADRM C[C@@H](COCC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1)c1ccccc1 ZINC000652072757 975469904 /nfs/dbraw/zinc/46/99/04/975469904.db2.gz KHFBWHOEGKIKBK-LSDHHAIUSA-N -1 0 341.407 3.634 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)c1cccc(Nc2ccccc2)c1)C(=O)[O-] ZINC000339347158 1014263798 /nfs/dbraw/zinc/26/37/98/1014263798.db2.gz GCSGCMWULLKSPG-DYVFJYSZSA-N -1 0 326.396 3.659 20 0 EHADRM CC(C)O[C@@H](Cn1nc(C(=O)[O-])c2c1CCCC2)c1ccccc1 ZINC001591686411 975495279 /nfs/dbraw/zinc/49/52/79/975495279.db2.gz LKCJFDHIRNXSCL-KRWDZBQOSA-N -1 0 328.412 3.626 20 0 EHADRM CC(C)O[C@H](C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC001591686777 975499348 /nfs/dbraw/zinc/49/93/48/975499348.db2.gz RXCRTOIZYXQILE-KSSFIOAISA-N -1 0 341.407 3.980 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCC[C@H]2Cc2ccccc2F)s1 ZINC000652121775 975508470 /nfs/dbraw/zinc/50/84/70/975508470.db2.gz VMTFHXWEOMHMGZ-ZDUSSCGKSA-N -1 0 347.411 3.823 20 0 EHADRM CCN(Cc1cc(Br)ccc1C(=O)[O-])CC(F)(F)F ZINC000652395475 975521102 /nfs/dbraw/zinc/52/11/02/975521102.db2.gz YSOIDMZHIORMMO-UHFFFAOYSA-N -1 0 340.139 3.532 20 0 EHADRM CC(C)O[C@H]1C[C@@H](Nc2cc(C(F)(F)F)c(C(=O)[O-])cn2)C1(C)C ZINC001591696254 975532482 /nfs/dbraw/zinc/53/24/82/975532482.db2.gz QIKVZKPAKSPFAQ-NEPJUHHUSA-N -1 0 346.349 3.803 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@@H]2CCCc3ccccc32)c(C)c1 ZINC000107971742 1014268505 /nfs/dbraw/zinc/26/85/05/1014268505.db2.gz NOSGGIFFBFOMBH-KOSHJBKYSA-N -1 0 341.476 3.605 20 0 EHADRM CSc1ccc(C)c(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000653334093 975591112 /nfs/dbraw/zinc/59/11/12/975591112.db2.gz XNRHPVNRZMUIIZ-SJORKVTESA-N -1 0 341.432 3.760 20 0 EHADRM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1cccc(CC(=O)[O-])c1 ZINC000653643052 975611163 /nfs/dbraw/zinc/61/11/63/975611163.db2.gz WMNLYDFUVIAGMV-BLVKFPJESA-N -1 0 341.382 3.506 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000653644610 975614164 /nfs/dbraw/zinc/61/41/64/975614164.db2.gz ZMUXWTWOCWCGDI-AQNXPRMDSA-N -1 0 349.430 3.722 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCCc2ccc(F)cc2)c2ccccc21 ZINC000655545014 975625842 /nfs/dbraw/zinc/62/58/42/975625842.db2.gz WLEBNSGRLIFINM-QGZVFWFLSA-N -1 0 341.382 3.754 20 0 EHADRM O=C([O-])CCCCC(=O)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000655548549 975625970 /nfs/dbraw/zinc/62/59/70/975625970.db2.gz FRKUCEGTDWCOIJ-UHFFFAOYSA-N -1 0 330.211 3.744 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000656237331 975651988 /nfs/dbraw/zinc/65/19/88/975651988.db2.gz SCVLXWSTEBLUTQ-UWVGGRQHSA-N -1 0 332.227 3.542 20 0 EHADRM CC(C)c1cccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000659117774 975713588 /nfs/dbraw/zinc/71/35/88/975713588.db2.gz MUGWBLLWJWYLDE-QGZVFWFLSA-N -1 0 329.371 3.895 20 0 EHADRM O=C([O-])C1(C(=O)N[C@@H]2CCSc3c(F)cccc32)CC2(CCC2)C1 ZINC000659118496 975714499 /nfs/dbraw/zinc/71/44/99/975714499.db2.gz HQBUWOSNFCHRIM-CYBMUJFWSA-N -1 0 349.427 3.514 20 0 EHADRM CC(C)Oc1ccc([C@@H](C)NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)cc1 ZINC000659119071 975716252 /nfs/dbraw/zinc/71/62/52/975716252.db2.gz BWYPHXLETGXSSE-CQSZACIVSA-N -1 0 345.439 3.686 20 0 EHADRM C[C@H](CN(C)C(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)[O-] ZINC000659130053 975729561 /nfs/dbraw/zinc/72/95/61/975729561.db2.gz CMWUBJMPZRAUHL-DYVFJYSZSA-N -1 0 345.826 3.651 20 0 EHADRM CO[C@H](C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)C1CCCC1 ZINC000659130899 975730654 /nfs/dbraw/zinc/73/06/54/975730654.db2.gz QVWOLJINUVVKOS-HNNXBMFYSA-N -1 0 333.409 3.743 20 0 EHADRM CCC1(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)CCC(F)(F)CC1 ZINC000659144755 975744187 /nfs/dbraw/zinc/74/41/87/975744187.db2.gz JZAZAPDPGZNGKX-ZDUSSCGKSA-N -1 0 345.430 3.942 20 0 EHADRM CC(C)Oc1c(NC(=O)/C=C\c2cccc(O)c2)cccc1C(=O)[O-] ZINC001591741782 975758196 /nfs/dbraw/zinc/75/81/96/975758196.db2.gz QLZWWSNMMYAQEE-KTKRTIGZSA-N -1 0 341.363 3.530 20 0 EHADRM CC(C)Oc1c(NC(=O)N2CCC23CCCC3)cccc1C(=O)[O-] ZINC001591743831 975762840 /nfs/dbraw/zinc/76/28/40/975762840.db2.gz DSWZMJXLVKYFRT-UHFFFAOYSA-N -1 0 332.400 3.722 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CCC(C2CCC2)CC1)C(=O)[O-] ZINC000659169888 975769876 /nfs/dbraw/zinc/76/98/76/975769876.db2.gz LYHGCWNRLLBSTK-ZDUSSCGKSA-N -1 0 347.480 3.904 20 0 EHADRM CC(C)Oc1c(NC(=O)N2C[C@@H]3CCCC[C@@]32C)cccc1C(=O)[O-] ZINC001591744902 975775409 /nfs/dbraw/zinc/77/54/09/975775409.db2.gz XDTWNFKABGVRGY-DJJJIMSYSA-N -1 0 346.427 3.968 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCc2cccc(Cl)c2)[C@@H]2CCCC[C@@H]12 ZINC000659194326 975794566 /nfs/dbraw/zinc/79/45/66/975794566.db2.gz LPNRQNOYIZEZQL-GVDBMIGSSA-N -1 0 349.858 3.765 20 0 EHADRM CC(C)Oc1c(NC(=O)NCCC2=CCCC2)cccc1C(=O)[O-] ZINC001591747641 975796636 /nfs/dbraw/zinc/79/66/36/975796636.db2.gz VALNTRCCHHCMHA-UHFFFAOYSA-N -1 0 332.400 3.794 20 0 EHADRM Cc1cc(Cl)cc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)c1 ZINC000659195815 975799869 /nfs/dbraw/zinc/79/98/69/975799869.db2.gz ZLHMYZRHQPZNGY-HRCADAONSA-N -1 0 335.831 3.754 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cccc(F)c2Cl)[C@H]2CCCC[C@@H]12 ZINC000659196713 975801035 /nfs/dbraw/zinc/80/10/35/975801035.db2.gz XLHXJVYOMHPDRD-WDMOLILDSA-N -1 0 339.794 3.585 20 0 EHADRM CC(C)c1ccc(SCC(=O)NCc2ccoc2C(=O)[O-])cc1 ZINC000659197431 975804678 /nfs/dbraw/zinc/80/46/78/975804678.db2.gz DBKWYRXEOQHTFK-UHFFFAOYSA-N -1 0 333.409 3.510 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)C2(C(F)(F)F)CCCCC2)c(F)c1 ZINC000659223419 975835287 /nfs/dbraw/zinc/83/52/87/975835287.db2.gz JKTRVYLJBJQHRX-UHFFFAOYSA-N -1 0 347.308 3.653 20 0 EHADRM CC(C)Oc1ccc(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])cn1 ZINC001591761531 975851687 /nfs/dbraw/zinc/85/16/87/975851687.db2.gz NFFITDCBKRHNIH-UHFFFAOYSA-N -1 0 342.395 3.943 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000663054232 975921097 /nfs/dbraw/zinc/92/10/97/975921097.db2.gz JKLOQYUNMWSICW-FGTMMUONSA-N -1 0 335.403 3.704 20 0 EHADRM CC(C)Oc1ccc(NC(=O)C=C2CCSCC2)c(C(=O)[O-])c1 ZINC001591780739 975947831 /nfs/dbraw/zinc/94/78/31/975947831.db2.gz NXGMYUOKBQWKJY-UHFFFAOYSA-N -1 0 335.425 3.564 20 0 EHADRM CC[C@@H](C)[C@H](OC)C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000668290640 975986667 /nfs/dbraw/zinc/98/66/67/975986667.db2.gz UZWDFMYEUSWAIV-FMEYXAORSA-N -1 0 343.423 3.533 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CC1CC(F)(F)C1)c1cccc2ccccc21 ZINC000668290198 975986739 /nfs/dbraw/zinc/98/67/39/975986739.db2.gz LYKDZWLJADLQKC-MRXNPFEDSA-N -1 0 347.361 3.907 20 0 EHADRM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000668298819 975989919 /nfs/dbraw/zinc/98/99/19/975989919.db2.gz LFYBZRBMGLEVJB-SFHVURJKSA-N -1 0 341.407 3.546 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2CCC[C@H](c3ccc(F)cc3)CC2)CC1 ZINC000668314791 975993167 /nfs/dbraw/zinc/99/31/67/975993167.db2.gz YFLKLIMGBZAXKI-XIRDDKMYSA-N -1 0 347.430 3.813 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H](c3ccc(F)cc3)CC2)C1 ZINC000668314323 975993347 /nfs/dbraw/zinc/99/33/47/975993347.db2.gz MMNDAHNUECBQBE-DJIMGWMZSA-N -1 0 347.430 3.813 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000669436744 976005326 /nfs/dbraw/zinc/00/53/26/976005326.db2.gz FJVIAAVYVFZRAF-WMZOPIPTSA-N -1 0 345.439 3.719 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)C[C@H](C)C2CCCCC2)cc1 ZINC000675947248 976017189 /nfs/dbraw/zinc/01/71/89/976017189.db2.gz WEXQNYKELNBFRC-KBXCAEBGSA-N -1 0 347.455 3.934 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000675948968 976020047 /nfs/dbraw/zinc/02/00/47/976020047.db2.gz YFXNLNMFPOWMIA-INIZCTEOSA-N -1 0 347.798 3.603 20 0 EHADRM Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(C(=O)[O-])c3)n[nH]2)o1 ZINC000676002346 976027074 /nfs/dbraw/zinc/02/70/74/976027074.db2.gz SLUPQGLLVHKORX-UHFFFAOYSA-N -1 0 345.742 3.582 20 0 EHADRM COc1ccc(C[C@@H](C)C(=O)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC000678975681 976033562 /nfs/dbraw/zinc/03/35/62/976033562.db2.gz MRNAFLJMYLCJIE-GFCCVEGCSA-N -1 0 327.380 3.519 20 0 EHADRM CC[C@@H](C)Oc1cc(CN[C@H](C(=O)[O-])c2cccs2)ccc1OC ZINC000683173218 976080175 /nfs/dbraw/zinc/08/01/75/976080175.db2.gz HHQFXNRABYKJFQ-PXAZEXFGSA-N -1 0 349.452 3.850 20 0 EHADRM COc1ccc2oc(CN[C@@H](C(=O)[O-])c3cc(F)ccc3F)cc2c1 ZINC000683174582 976080564 /nfs/dbraw/zinc/08/05/64/976080564.db2.gz ULYSBJHUMDIISK-QGZVFWFLSA-N -1 0 347.317 3.635 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1cccs1 ZINC000683298651 976082344 /nfs/dbraw/zinc/08/23/44/976082344.db2.gz GZBJYLWMFOJPKG-TUVASFSCSA-N -1 0 335.469 3.987 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)C(C1CC1)C1CC1 ZINC000683315207 976085863 /nfs/dbraw/zinc/08/58/63/976085863.db2.gz WNAGMURFLCWXNP-UHFFFAOYSA-N -1 0 329.421 3.652 20 0 EHADRM Cc1ccc2[nH]c(C(=O)Nc3ccc(C[C@H](C)C(=O)[O-])cc3)cc2c1 ZINC000683332147 976089906 /nfs/dbraw/zinc/08/99/06/976089906.db2.gz ZCAMESGBTXIOFS-ZDUSSCGKSA-N -1 0 336.391 3.992 20 0 EHADRM CC(C)Sc1ccc(Cl)cc1NC(=O)NC1(CC(=O)[O-])CC1 ZINC001591829605 976093742 /nfs/dbraw/zinc/09/37/42/976093742.db2.gz SPYUZUYSKBCXNE-UHFFFAOYSA-N -1 0 342.848 3.969 20 0 EHADRM CC(C)c1cc(C(=O)N[C@H](CC2CC2)C(=O)[O-])c(O)c(C(C)C)c1 ZINC001591926156 976415360 /nfs/dbraw/zinc/41/53/60/976415360.db2.gz YNMOXSYZILRIHT-MRXNPFEDSA-N -1 0 333.428 3.622 20 0 EHADRM CC(C)c1cc(C(=O)N(CC(=O)[O-])C2CCCC2)c2ccccc2n1 ZINC001591926384 976416089 /nfs/dbraw/zinc/41/60/89/976416089.db2.gz SBMRLPUYKGZCEL-UHFFFAOYSA-N -1 0 340.423 3.828 20 0 EHADRM CC(C)c1ccc(C(=O)N(C)c2ncc(C(=O)[O-])s2)cc1Cl ZINC001591942988 976474285 /nfs/dbraw/zinc/47/42/85/976474285.db2.gz AAGQDVCOPUUCJK-UHFFFAOYSA-N -1 0 338.816 3.895 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)cc1 ZINC001591948574 976502154 /nfs/dbraw/zinc/50/21/54/976502154.db2.gz JTUKYEGNABZCNI-BDISVTLVSA-N -1 0 329.440 3.529 20 0 EHADRM CC(C)c1ccc(C2(C(=O)N[C@H](CCF)C(=O)[O-])CCCC2)cc1 ZINC001591949517 976507226 /nfs/dbraw/zinc/50/72/26/976507226.db2.gz WAOWRCUEVWGTMW-MRXNPFEDSA-N -1 0 335.419 3.551 20 0 EHADRM CC(C)c1ccc(CN(C(=O)NC2CC(CC(=O)[O-])C2)C2CC2)cc1 ZINC001591954374 976524434 /nfs/dbraw/zinc/52/44/34/976524434.db2.gz UAUVMGGSWTZECV-UHFFFAOYSA-N -1 0 344.455 3.737 20 0 EHADRM CC(C)c1ccc(CCNC(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC001591954492 976526550 /nfs/dbraw/zinc/52/65/50/976526550.db2.gz XWMCKPFRRQKTJY-UHFFFAOYSA-N -1 0 340.423 3.801 20 0 EHADRM CC(C)c1ccc2c(c1)CCN(C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1)C2 ZINC001591973712 976580335 /nfs/dbraw/zinc/58/03/35/976580335.db2.gz IGLVGWJZNJXAJK-KDOFPFPSSA-N -1 0 344.455 3.521 20 0 EHADRM CC(C)c1ccc(OCC(=O)OCc2ccccc2CC(=O)[O-])cc1 ZINC001591973888 976581244 /nfs/dbraw/zinc/58/12/44/976581244.db2.gz ILRBJDUMTQCNSI-UHFFFAOYSA-N -1 0 342.391 3.559 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)CCC2 ZINC001591981717 976599017 /nfs/dbraw/zinc/59/90/17/976599017.db2.gz ZJGITMYQZZDONF-RYRKJORJSA-N -1 0 344.455 3.740 20 0 EHADRM CC(C)c1ccc2occ(C(=O)NCc3ccnc(C(=O)[O-])c3)c2c1 ZINC001591981672 976599044 /nfs/dbraw/zinc/59/90/44/976599044.db2.gz WFLIRSMZMXTZBJ-UHFFFAOYSA-N -1 0 338.363 3.579 20 0 EHADRM CC(C)c1cccc(C(=O)Nc2c3cccnc3n(C)c2C(=O)[O-])c1 ZINC001591983536 976604296 /nfs/dbraw/zinc/60/42/96/976604296.db2.gz NVEGLVYKDNPQRW-UHFFFAOYSA-N -1 0 337.379 3.647 20 0 EHADRM CC(C)c1cccc(C(=O)Nc2ncc(C(=O)[O-])c3ccccc32)n1 ZINC001591986248 976606758 /nfs/dbraw/zinc/60/67/58/976606758.db2.gz AAZZRHWJVUVMPP-UHFFFAOYSA-N -1 0 335.363 3.704 20 0 EHADRM CC(C)c1ccccc1NC(=O)COc1cnc(Cl)cc1C(=O)[O-] ZINC001591994984 976637834 /nfs/dbraw/zinc/63/78/34/976637834.db2.gz QRKFWEWKPAPNOE-UHFFFAOYSA-N -1 0 348.786 3.574 20 0 EHADRM CC(C)c1cnc(CNc2ccc(C(=O)[O-])cc2OCC(F)F)o1 ZINC001592003090 976658065 /nfs/dbraw/zinc/65/80/65/976658065.db2.gz SMMUUQNNKQFXEL-UHFFFAOYSA-N -1 0 340.326 3.752 20 0 EHADRM CC(C)c1nc(NC(=O)CCCc2cccs2)sc1C(=O)[O-] ZINC001592022252 976719462 /nfs/dbraw/zinc/71/94/62/976719462.db2.gz NEAQOSHLVFRIAD-UHFFFAOYSA-N -1 0 338.454 3.988 20 0 EHADRM CC(C)c1nccn1Cc1cccc(N[C@H](C)[C@H]2C[C@@H]2C(=O)[O-])c1 ZINC001592039533 976762402 /nfs/dbraw/zinc/76/24/02/976762402.db2.gz LZRDQHYCNMCGIB-XYPHTWIQSA-N -1 0 327.428 3.576 20 0 EHADRM CC(C)c1sc(NC(=O)C23CC(C(F)(F)F)(C2)C3)nc1C(=O)[O-] ZINC001592107653 976886657 /nfs/dbraw/zinc/88/66/57/976886657.db2.gz AOFLAEQHMUITNN-UHFFFAOYSA-N -1 0 348.346 3.636 20 0 EHADRM CC(C)c1ocnc1CN[C@]1(C(=O)[O-])CC[C@H](C)c2ccccc21 ZINC001592107846 976888625 /nfs/dbraw/zinc/88/86/25/976888625.db2.gz DQHXUQNXPCCAGZ-ORAYPTAESA-N -1 0 328.412 3.765 20 0 EHADRM CC(C)c1sc(NC(=O)c2cccc3ncccc32)nc1C(=O)[O-] ZINC001592114816 976909988 /nfs/dbraw/zinc/90/99/88/976909988.db2.gz KGRRRCCXXFBVFU-UHFFFAOYSA-N -1 0 341.392 3.765 20 0 EHADRM CC(C)n1cc(C[NH+]2CCC(Cc3ccccc3C(=O)[O-])CC2)cn1 ZINC001592126759 976949396 /nfs/dbraw/zinc/94/93/96/976949396.db2.gz FIEZBHCUALHSPN-UHFFFAOYSA-N -1 0 341.455 3.617 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)C[C@H](C)c1cccc(F)c1 ZINC001592226210 977416046 /nfs/dbraw/zinc/41/60/46/977416046.db2.gz AKBBCGVYAFUOHQ-LSDHHAIUSA-N -1 0 343.398 3.821 20 0 EHADRM C[C@H](CC(=O)N1CCOc2ccccc2[C@@H]1C(=O)[O-])C1CCCCC1 ZINC001592235715 977440424 /nfs/dbraw/zinc/44/04/24/977440424.db2.gz BZWIRYBIPVIMGO-AUUYWEPGSA-N -1 0 345.439 3.640 20 0 EHADRM C[C@@H](CC(=O)NC[C@@H](C(=O)[O-])C1CCCCC1)c1cccc(F)c1 ZINC001592245996 977472680 /nfs/dbraw/zinc/47/26/80/977472680.db2.gz MYKQKWNMRYRLSK-SUMWQHHRSA-N -1 0 335.419 3.717 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)CCCCCc1ccc(F)cc1)C1CC1 ZINC001592280225 977567816 /nfs/dbraw/zinc/56/78/16/977567816.db2.gz BPFCOUVDEAEKEX-IBGZPJMESA-N -1 0 335.419 3.688 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)Nc1ccnc(-c2ccccc2)c1)C1CC1 ZINC001592298139 977644969 /nfs/dbraw/zinc/64/49/69/977644969.db2.gz VNEPBIYPRORGEI-LJQANCHMSA-N -1 0 339.395 3.514 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(-n3nccn3)cc2)cc1C(F)(F)F ZINC001211489595 1014425854 /nfs/dbraw/zinc/42/58/54/1014425854.db2.gz DHIOZWNCFLYGIU-UHFFFAOYSA-N -1 0 348.284 3.728 20 0 EHADRM CC(C)[C@](C)(Cc1ccc(Cl)cc1)NC(=O)[C@@H](C)CC(=O)[O-] ZINC001592344659 977801465 /nfs/dbraw/zinc/80/14/65/977801465.db2.gz CWDNXWQAGZLGBN-SJCJKPOMSA-N -1 0 325.836 3.524 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC001592395679 977954755 /nfs/dbraw/zinc/95/47/55/977954755.db2.gz MUJCTKCFIRFKJM-SECBINFHSA-N -1 0 338.816 3.903 20 0 EHADRM C[C@@H](CC(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1)c1ccncc1 ZINC001592423770 978040954 /nfs/dbraw/zinc/04/09/54/978040954.db2.gz HBFQEKXNQVGYNN-MEDUHNTESA-N -1 0 333.771 3.598 20 0 EHADRM C[C@@H](CC(=O)[O-])c1nc(COc2cccc(Cl)c2Cl)no1 ZINC001592424403 978045326 /nfs/dbraw/zinc/04/53/26/978045326.db2.gz RCBKQUKYXNIYQY-ZETCQYMHSA-N -1 0 331.155 3.534 20 0 EHADRM C[C@@H](CC(=O)OCc1c(Cl)cccc1C(=O)[O-])c1ccc(N)cc1 ZINC001592434130 978072164 /nfs/dbraw/zinc/07/21/64/978072164.db2.gz TWLFQLQJPYRCLK-NSHDSACASA-N -1 0 347.798 3.857 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001592454420 978164246 /nfs/dbraw/zinc/16/42/46/978164246.db2.gz WZFPRDRINWQBBC-CMUBDUJZSA-N -1 0 341.407 3.864 20 0 EHADRM C/C(=C\C(=O)N(CC(=O)[O-])Cc1ccccc1)c1ccccc1Cl ZINC000736118582 978303209 /nfs/dbraw/zinc/30/32/09/978303209.db2.gz WOKCXRWOUOXZPM-SDNWHVSQSA-N -1 0 343.810 3.857 20 0 EHADRM CC[C@H](NC(=S)N1C[C@H](C(=O)[O-])c2ccccc21)c1cccs1 ZINC000736920283 978366112 /nfs/dbraw/zinc/36/61/12/978366112.db2.gz QDZYRSBGCLUWLB-STQMWFEESA-N -1 0 346.477 3.762 20 0 EHADRM C[C@@H](CCOC(=O)c1ccccc1C(=O)[O-])OCc1ccccc1 ZINC001592528873 978383312 /nfs/dbraw/zinc/38/33/12/978383312.db2.gz JNORKGWYRFRVPC-AWEZNQCLSA-N -1 0 328.364 3.537 20 0 EHADRM C[C@H](CCc1ccco1)NC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001592552379 978439754 /nfs/dbraw/zinc/43/97/54/978439754.db2.gz XRZMVNLBQPITCT-LLVKDONJSA-N -1 0 341.367 3.602 20 0 EHADRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1cccc(Cl)c1O ZINC000547631698 1014501250 /nfs/dbraw/zinc/50/12/50/1014501250.db2.gz IBADAIWXJCXRJP-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OC(=O)[C@@H]1CCSc2ccccc21 ZINC000738541367 978553281 /nfs/dbraw/zinc/55/32/81/978553281.db2.gz RMMRMXYZYOEOPN-CQSZACIVSA-N -1 0 328.389 3.878 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccccc2N2CCCCCC2)C1 ZINC000739573588 978646172 /nfs/dbraw/zinc/64/61/72/978646172.db2.gz KYJPBSSCDJPYHS-HOTGVXAUSA-N -1 0 344.455 3.897 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccccc2N2CCCCCC2)C1 ZINC000739573914 978646275 /nfs/dbraw/zinc/64/62/75/978646275.db2.gz KYJPBSSCDJPYHS-JKSUJKDBSA-N -1 0 344.455 3.897 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)cc1 ZINC000746330219 978681423 /nfs/dbraw/zinc/68/14/23/978681423.db2.gz HLLMQVBQDBHUKY-CQSZACIVSA-N -1 0 336.391 3.525 20 0 EHADRM O=C([O-])CN(C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)C1CCCCC1 ZINC000767026205 978732288 /nfs/dbraw/zinc/73/22/88/978732288.db2.gz WBKAVMJUTOHAMQ-JKSUJKDBSA-N -1 0 335.831 3.689 20 0 EHADRM Cc1oc(CN(C)C(=O)/C=C/c2cc(C)c(C)cc2C)cc1C(=O)[O-] ZINC000767093784 978734323 /nfs/dbraw/zinc/73/43/23/978734323.db2.gz POHTUWZJOFWPCL-VOTSOKGWSA-N -1 0 341.407 3.883 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000767185556 978736523 /nfs/dbraw/zinc/73/65/23/978736523.db2.gz KLBKUBCGBANUCR-NKSUMMKUSA-N -1 0 345.439 3.638 20 0 EHADRM C/C(=C\C(=O)NCc1cccc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC000776209141 978748291 /nfs/dbraw/zinc/74/82/91/978748291.db2.gz OPZYUSRGOAQHHZ-XYOKQWHBSA-N -1 0 329.783 3.758 20 0 EHADRM CCCCSCCC(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000776677581 978769159 /nfs/dbraw/zinc/76/91/59/978769159.db2.gz MHNYLGWCAXFAPT-CQSZACIVSA-N -1 0 343.876 3.895 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)NCC2(c3ccccc3)CCC2)c1 ZINC000811814212 978857602 /nfs/dbraw/zinc/85/76/02/978857602.db2.gz TXUNJKDXAOHPRL-UHFFFAOYSA-N -1 0 343.810 3.890 20 0 EHADRM CCOc1cc(C)ccc1NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811816374 978860147 /nfs/dbraw/zinc/86/01/47/978860147.db2.gz VPZLZPHPAFBOFN-UHFFFAOYSA-N -1 0 333.771 3.998 20 0 EHADRM CC(C)(CNC(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccc(F)cc1 ZINC000811817653 978861850 /nfs/dbraw/zinc/86/18/50/978861850.db2.gz YAZQDZZFBWNSNP-UHFFFAOYSA-N -1 0 349.789 3.885 20 0 EHADRM Cc1cccc(OCCCNC(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000811819860 978863974 /nfs/dbraw/zinc/86/39/74/978863974.db2.gz IUYXJMDUAWGADN-UHFFFAOYSA-N -1 0 347.798 3.546 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N(Cc2ccc(F)cc2)C2CC2)c1 ZINC000811820317 978865008 /nfs/dbraw/zinc/86/50/08/978865008.db2.gz VNZCXVMVUOMOGB-UHFFFAOYSA-N -1 0 347.773 3.982 20 0 EHADRM CC[C@@H](NC(=O)c1cc(C(=O)[O-])ccc1Cl)c1c(C)noc1C ZINC000811822466 978867190 /nfs/dbraw/zinc/86/71/90/978867190.db2.gz AHUZIWATLHFSTB-CYBMUJFWSA-N -1 0 336.775 3.524 20 0 EHADRM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000828151004 978972606 /nfs/dbraw/zinc/97/26/06/978972606.db2.gz STYJIJQCRJIDSY-GDBMZVCRSA-N -1 0 338.407 3.870 20 0 EHADRM C/C=C(/C=C\C(=O)N[C@@H](CC(=O)[O-])c1ccc(SC)cc1)CC ZINC000828543133 978985574 /nfs/dbraw/zinc/98/55/74/978985574.db2.gz QKQYKLPNGKLUJA-HPVUDLMLSA-N -1 0 333.453 3.953 20 0 EHADRM C[C@H](CNC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)CC(F)F ZINC001592674137 979083617 /nfs/dbraw/zinc/08/36/17/979083617.db2.gz CQGUCBNJCMLKKU-LURJTMIESA-N -1 0 338.713 3.590 20 0 EHADRM CC[C@@H](C)n1nc(NC(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1C ZINC001595023248 979114969 /nfs/dbraw/zinc/11/49/69/979114969.db2.gz ICEZIIZGWDLZBO-GFCCVEGCSA-N -1 0 344.415 3.824 20 0 EHADRM CC[C@H](C)n1nc(C(=O)NC[C@@H](C(=O)[O-])C2CCCCCC2)cc1C ZINC001595023518 979115768 /nfs/dbraw/zinc/11/57/68/979115768.db2.gz UCFVLHWENXJCHV-XJKSGUPXSA-N -1 0 349.475 3.564 20 0 EHADRM CC[C@H](C)n1nccc1C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC001595030269 979165985 /nfs/dbraw/zinc/16/59/85/979165985.db2.gz NHDUPTIQSOIIJW-VIFPVBQESA-N -1 0 333.413 3.744 20 0 EHADRM CC[C@H](CC(=O)OCc1cc(C(=O)[O-])oc1C)c1ccc(OC)cc1 ZINC001595037318 979205940 /nfs/dbraw/zinc/20/59/40/979205940.db2.gz ZIKQKOOHRVRIFH-CYBMUJFWSA-N -1 0 346.379 3.922 20 0 EHADRM CC[C@@H](CC(F)(F)F)C(=O)N[C@H](CC(=O)[O-])c1cccc(C)c1 ZINC001595039963 979219094 /nfs/dbraw/zinc/21/90/94/979219094.db2.gz XYKPQNPZOQMSJQ-WCQYABFASA-N -1 0 331.334 3.606 20 0 EHADRM C[C@@](CNc1nc2ccc(F)cc2s1)(C(=O)[O-])c1ccccc1 ZINC001592730751 979251673 /nfs/dbraw/zinc/25/16/73/979251673.db2.gz ZKDOVNXYKBDAQO-KRWDZBQOSA-N -1 0 330.384 3.890 20 0 EHADRM C[C@@H](NC(=O)C=C1CCC(C)(C)CC1)c1ccc(OCC(=O)[O-])cc1 ZINC000836753837 979260397 /nfs/dbraw/zinc/26/03/97/979260397.db2.gz QTFYJUUGHYJNHJ-CQSZACIVSA-N -1 0 345.439 3.854 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccccc1SCc1ccco1 ZINC000836757488 979266278 /nfs/dbraw/zinc/26/62/78/979266278.db2.gz IWVCZTRGFRHMHZ-TZMCWYRMSA-N -1 0 345.420 3.507 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC001595048677 979266909 /nfs/dbraw/zinc/26/69/09/979266909.db2.gz HDVBWSJTNKQUTH-AWEZNQCLSA-N -1 0 349.471 3.901 20 0 EHADRM C[C@@]1(CCNC(=O)CC2(CC(=O)[O-])CCCC2)CC1(Cl)Cl ZINC000840729050 979274128 /nfs/dbraw/zinc/27/41/28/979274128.db2.gz NBYGHFZHEKNHIX-CYBMUJFWSA-N -1 0 336.259 3.502 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1ccc(F)c(C(F)F)c1 ZINC001595050229 979278065 /nfs/dbraw/zinc/27/80/65/979278065.db2.gz NQPDFVNSJMOONG-UHFFFAOYSA-N -1 0 332.322 3.918 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000841843345 979316476 /nfs/dbraw/zinc/31/64/76/979316476.db2.gz JQVHIAPIEFVIFX-UHFFFAOYSA-N -1 0 347.459 3.834 20 0 EHADRM CCC(CC)(CNC(=O)c1ccnc2cc(Cl)ccc21)C(=O)[O-] ZINC001595076417 979349609 /nfs/dbraw/zinc/34/96/09/979349609.db2.gz HYPGQYHVHRPXTO-UHFFFAOYSA-N -1 0 334.803 3.509 20 0 EHADRM C[C@](COC(=O)/C=C\c1ccc2[nH]ccc2c1)(C(=O)[O-])c1ccccc1 ZINC001592762691 979359115 /nfs/dbraw/zinc/35/91/15/979359115.db2.gz ACILEBMTXABNJM-IZUALYBUSA-N -1 0 349.386 3.767 20 0 EHADRM C[C@@H](COCC(=O)Oc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC001592768805 979377405 /nfs/dbraw/zinc/37/74/05/979377405.db2.gz HKHWOIUZPOIRJR-LBPRGKRZSA-N -1 0 348.782 3.764 20 0 EHADRM C[C@@](COC(=O)c1cc2occc2s1)(C(=O)[O-])c1ccccc1 ZINC001592772570 979392795 /nfs/dbraw/zinc/39/27/95/979392795.db2.gz QTJPPSZRMYNQJJ-KRWDZBQOSA-N -1 0 330.361 3.694 20 0 EHADRM CCC(CC)[C@H](NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)c1ccccc1 ZINC001595109781 979447135 /nfs/dbraw/zinc/44/71/35/979447135.db2.gz MIXCIBMJAZXULN-SCTDSRPQSA-N -1 0 347.455 3.693 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000848875043 979478047 /nfs/dbraw/zinc/47/80/47/979478047.db2.gz MQVYMKJPCHBLSN-LBPRGKRZSA-N -1 0 346.402 3.514 20 0 EHADRM CCC(CC)n1ccc(C(=O)Nc2cccc(Cl)c2C(=O)[O-])n1 ZINC001595121932 979498573 /nfs/dbraw/zinc/49/85/73/979498573.db2.gz FQBVGYYAZNAEMC-UHFFFAOYSA-N -1 0 335.791 3.848 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)Nc2cccc(COCC3CC3)c2)o1 ZINC000851594074 979504546 /nfs/dbraw/zinc/50/45/46/979504546.db2.gz FTBWYWOXLPEYKG-CLFYSBASSA-N -1 0 341.363 3.556 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)c2ccc(/C=C\C(=O)[O-])o2)c1 ZINC000851594278 979505670 /nfs/dbraw/zinc/50/56/70/979505670.db2.gz HJVBKSCKLGNRSV-SIJIIQCFSA-N -1 0 325.364 3.663 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)N(CC(C)C)C(C)(C)C(=O)[O-] ZINC001595125110 979507527 /nfs/dbraw/zinc/50/75/27/979507527.db2.gz ZOQJQOZLTOVJMU-UHFFFAOYSA-N -1 0 337.464 3.514 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC001595125665 979509503 /nfs/dbraw/zinc/50/95/03/979509503.db2.gz FSIRZFPBQLWLOW-WBMJQRKESA-N -1 0 339.382 3.813 20 0 EHADRM CCCC[C@](C)(F)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000851598030 979514949 /nfs/dbraw/zinc/51/49/49/979514949.db2.gz IPXQMTMMRGREAA-IBGZPJMESA-N -1 0 346.402 3.669 20 0 EHADRM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851601295 979520701 /nfs/dbraw/zinc/52/07/01/979520701.db2.gz KJWWBSKUVQAPKX-IOUJADIQSA-N -1 0 343.354 3.570 20 0 EHADRM Cc1ccc(C)c([C@H]2CCCN2C(=O)c2ccc(/C=C\C(=O)[O-])o2)c1 ZINC000851602556 979523280 /nfs/dbraw/zinc/52/32/80/979523280.db2.gz WRNCANIQYMASTC-SECOEOQKSA-N -1 0 339.391 3.972 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(/C=C\C(=O)[O-])o2)CC12CCCCC2 ZINC000851603042 979524204 /nfs/dbraw/zinc/52/42/04/979524204.db2.gz HPUIFLWORTWMEV-IQCBXXCUSA-N -1 0 331.412 3.810 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(/C=C/C(=O)[O-])o2)CC12CCCCC2 ZINC000851603044 979524621 /nfs/dbraw/zinc/52/46/21/979524621.db2.gz HPUIFLWORTWMEV-OWNNVSBGSA-N -1 0 331.412 3.810 20 0 EHADRM CC1(C)[C@@H](c2ccccc2)CCN1C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851605284 979529011 /nfs/dbraw/zinc/52/90/11/979529011.db2.gz BMMUXEFSQHZWEB-HGPCXVNDSA-N -1 0 339.391 3.786 20 0 EHADRM CC(C)c1ccc(C[C@@H](C)NC(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC001592834246 979574578 /nfs/dbraw/zinc/57/45/78/979574578.db2.gz NVFBALPNTUAHMP-CYBMUJFWSA-N -1 0 344.411 3.532 20 0 EHADRM CC(C)c1ccc(C[C@H](C)NC(=O)c2ccsc2C(=O)[O-])cc1 ZINC001592834271 979574857 /nfs/dbraw/zinc/57/48/57/979574857.db2.gz OLDSIKHPTGFLFN-LBPRGKRZSA-N -1 0 331.437 3.931 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1csc(C(F)(F)F)c1 ZINC001595136907 979580031 /nfs/dbraw/zinc/58/00/31/979580031.db2.gz DGPGYGITMQCWRV-UHFFFAOYSA-N -1 0 329.299 3.646 20 0 EHADRM CC(C)c1ccc(C[C@@H](C)NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC001592834845 979580380 /nfs/dbraw/zinc/58/03/80/979580380.db2.gz YLCNAWJHKULACR-FHLIZLRMSA-N -1 0 331.456 3.748 20 0 EHADRM CC[C@@](CNC(=O)[C@H]1CCC=CCCC1)(C(=O)[O-])c1ccccc1 ZINC001595139099 979587765 /nfs/dbraw/zinc/58/77/65/979587765.db2.gz AOENIFITZLDBOH-JXFKEZNVSA-N -1 0 329.440 3.672 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CCC[C@@H]2c2ccccc2)Cc2ccccc21 ZINC000852957285 979590295 /nfs/dbraw/zinc/59/02/95/979590295.db2.gz MUAVOTUEXSQDNR-YZGWKJHDSA-N -1 0 349.430 3.781 20 0 EHADRM CCN(c1ccc(C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1)C(C)C ZINC000856721694 979610902 /nfs/dbraw/zinc/61/09/02/979610902.db2.gz DGXRFJVPLJPBTI-UHFFFAOYSA-N -1 0 340.423 3.801 20 0 EHADRM C[C@](Cc1ccc(F)cc1)(NC(=O)[C@@H]1CCCCC1(C)C)C(=O)[O-] ZINC001592845483 979614201 /nfs/dbraw/zinc/61/42/01/979614201.db2.gz BTJQHKRTUIBCCC-HNAYVOBHSA-N -1 0 335.419 3.544 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N(C)[C@H]2CCC(C)(C)C2)cc1)C(=O)[O-] ZINC001592859880 979685391 /nfs/dbraw/zinc/68/53/91/979685391.db2.gz ZMUTYEPJOKOACD-BBRMVZONSA-N -1 0 332.444 3.992 20 0 EHADRM Cc1ccc(CN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)C(C)C)s1 ZINC000864106233 979693836 /nfs/dbraw/zinc/69/38/36/979693836.db2.gz IPMFLLOTWGTODJ-TWGQIWQCSA-N -1 0 333.409 3.798 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N(C)Cc2cccs2)cc1)C(=O)[O-] ZINC001592861222 979696628 /nfs/dbraw/zinc/69/66/28/979696628.db2.gz QHCJZPOGZIUUOD-GFCCVEGCSA-N -1 0 332.425 3.675 20 0 EHADRM CC(C)[C@H](c1ccccc1)N(C)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000864110287 979700365 /nfs/dbraw/zinc/70/03/65/979700365.db2.gz PCVXWGFBLPBVRG-SIKDUDHDSA-N -1 0 327.380 3.847 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N(CC2CC2)CC2CCC2)cc1)C(=O)[O-] ZINC001592861647 979701030 /nfs/dbraw/zinc/70/10/30/979701030.db2.gz VHIROKCTUCQZGC-AWEZNQCLSA-N -1 0 344.455 3.994 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(C3CCOCC3)cc2)ccc1F ZINC000864122504 979719423 /nfs/dbraw/zinc/71/94/23/979719423.db2.gz VZYRHQOTVUKBIE-UHFFFAOYSA-N -1 0 343.354 3.670 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N2CCC[C@@H]2CCc2ccccc2)o1 ZINC000864124547 979724426 /nfs/dbraw/zinc/72/44/26/979724426.db2.gz COKHLMDRNBTNJU-SICOMBFOSA-N -1 0 339.391 3.615 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)/C=C/c1ccccc1C(F)(F)F ZINC000864133651 979736182 /nfs/dbraw/zinc/73/61/82/979736182.db2.gz WEAJYNYDPJDZNC-MMQHEFTJSA-N -1 0 341.329 3.574 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)C2([C@H]3CCCCO3)CCC2)cc1)C(=O)[O-] ZINC000864135690 979737973 /nfs/dbraw/zinc/73/79/73/979737973.db2.gz OOZLFHIKCOXCCC-WMLDXEAASA-N -1 0 345.439 3.628 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)NCCCC(C)(F)F)cc1)C(=O)[O-] ZINC001592874167 979739519 /nfs/dbraw/zinc/73/95/19/979739519.db2.gz YHCPZNGDJIWHRI-LLVKDONJSA-N -1 0 328.359 3.507 20 0 EHADRM C[C@@H](Cc1ccc(NCc2nc(-c3ccccc3)no2)cc1)C(=O)[O-] ZINC001592878233 979749550 /nfs/dbraw/zinc/74/95/50/979749550.db2.gz XZCULYTYVSSDGO-ZDUSSCGKSA-N -1 0 337.379 3.612 20 0 EHADRM CC(C)n1ncc(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c1Cl ZINC000864148767 979756438 /nfs/dbraw/zinc/75/64/38/979756438.db2.gz JOTXWOYHJCPXAD-SNVBAGLBSA-N -1 0 335.791 3.558 20 0 EHADRM C[C@](Cc1ccccc1)(NC(=O)CC1(CC(=O)[O-])CCCC1)C1CC1 ZINC001592889997 979776090 /nfs/dbraw/zinc/77/60/90/979776090.db2.gz CNMOJGZXRMNILB-HXUWFJFHSA-N -1 0 343.467 3.939 20 0 EHADRM Cc1ccc(SC2(C(=O)N[C@H]3CC=C(C(=O)[O-])C3)CCCC2)cc1 ZINC000864166500 979791197 /nfs/dbraw/zinc/79/11/97/979791197.db2.gz YCOBMCQOZGZGMM-HNNXBMFYSA-N -1 0 345.464 3.690 20 0 EHADRM Cc1ccc(C(=O)Nc2cccc(C3CCOCC3)c2)cc1C(=O)[O-] ZINC000864173248 979807009 /nfs/dbraw/zinc/80/70/09/979807009.db2.gz KIURPBDMKOCABQ-UHFFFAOYSA-N -1 0 339.391 3.840 20 0 EHADRM C[C@@H](Cc1ccccn1)NC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001592898667 979809479 /nfs/dbraw/zinc/80/94/79/979809479.db2.gz UBWYZZNSZFLXGM-ZDUSSCGKSA-N -1 0 349.390 3.686 20 0 EHADRM CC(C)(C)[C@H]1Cc2ccccc2N(C(=O)c2cncc(C(=O)[O-])c2)C1 ZINC000864174374 979809881 /nfs/dbraw/zinc/80/98/81/979809881.db2.gz IXYWKMUTKRPGAQ-INIZCTEOSA-N -1 0 338.407 3.645 20 0 EHADRM C[C@H](Cc1ccco1)C(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)F ZINC001592899202 979813739 /nfs/dbraw/zinc/81/37/39/979813739.db2.gz DNSASFZMSUXWJT-QMTHXVAHSA-N -1 0 338.306 3.706 20 0 EHADRM CC[C@@H](COC(=O)c1ccc(-c2nc3ccccc3s2)o1)C(=O)[O-] ZINC001595184022 979824277 /nfs/dbraw/zinc/82/42/77/979824277.db2.gz VORPZMIXOFTNGD-JTQLQIEISA-N -1 0 345.376 3.824 20 0 EHADRM C[C@@H](Cc1ccncc1)NC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001592903160 979832897 /nfs/dbraw/zinc/83/28/97/979832897.db2.gz VWWGQVVNWBUPBZ-ZDUSSCGKSA-N -1 0 349.390 3.686 20 0 EHADRM C[C@H](Cn1ccc2ccccc21)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001592918815 979910632 /nfs/dbraw/zinc/91/06/32/979910632.db2.gz RFABDNHSYCCKTC-CQSZACIVSA-N -1 0 336.391 3.543 20 0 EHADRM C[C@H](Cn1ccc2ccccc21)C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC001592918920 979911605 /nfs/dbraw/zinc/91/16/05/979911605.db2.gz SOWDCVSFVAIKIM-CHWSQXEVSA-N -1 0 341.363 3.873 20 0 EHADRM C[C@@H](Cn1ccc2ccccc21)C(=O)OCc1ccsc1C(=O)[O-] ZINC001592918983 979912570 /nfs/dbraw/zinc/91/25/70/979912570.db2.gz UWQCEOCBLNVBQX-LBPRGKRZSA-N -1 0 343.404 3.781 20 0 EHADRM C[C@@H](OC(=O)[C@@H](C)Cn1ccc2ccccc21)c1cc(C(=O)[O-])co1 ZINC001592919198 979915116 /nfs/dbraw/zinc/91/51/16/979915116.db2.gz ZFXRJNIRNWCPOF-QWHCGFSZSA-N -1 0 341.363 3.873 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)C[C@H](C)c2ccccc2F)c1 ZINC000864228722 979921601 /nfs/dbraw/zinc/92/16/01/979921601.db2.gz FWXUYGZTFNARFM-KBXCAEBGSA-N -1 0 343.398 3.960 20 0 EHADRM CC[C@H](CSCC(=O)Nc1ccc(C(=O)[O-])cc1)CC(F)F ZINC001595202502 979955124 /nfs/dbraw/zinc/95/51/24/979955124.db2.gz CDQHSJQQODRVCR-JTQLQIEISA-N -1 0 331.384 3.738 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)NCc1ccccc1C(=O)[O-] ZINC001595210428 979984133 /nfs/dbraw/zinc/98/41/33/979984133.db2.gz GMPKBURRNMEJGX-INIZCTEOSA-N -1 0 325.408 3.578 20 0 EHADRM CC(F)(F)CCC(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC001592938947 980002910 /nfs/dbraw/zinc/00/29/10/980002910.db2.gz IHNFCYCSMLKRCW-HNNXBMFYSA-N -1 0 335.350 3.907 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1cnc(C)c(C(=O)[O-])c1 ZINC001595213788 980010579 /nfs/dbraw/zinc/01/05/79/980010579.db2.gz YGVIOWYXCJEARY-INIZCTEOSA-N -1 0 341.411 3.573 20 0 EHADRM CC(F)(F)c1ccc(C(=O)Nc2cccc(OCC(=O)[O-])c2)cc1 ZINC001592943967 980018454 /nfs/dbraw/zinc/01/84/54/980018454.db2.gz RTPXUNSCOMDPLD-UHFFFAOYSA-N -1 0 335.306 3.514 20 0 EHADRM CC(F)(F)c1ccc(C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])cc1 ZINC001592944297 980021274 /nfs/dbraw/zinc/02/12/74/980021274.db2.gz XNKBKJMIRYBNGK-CQSZACIVSA-N -1 0 339.382 3.809 20 0 EHADRM CC[C@@](NC(=O)[C@H](C)CC(C)C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595232844 980126861 /nfs/dbraw/zinc/12/68/61/980126861.db2.gz KGENGMXNDYSFNX-PXAZEXFGSA-N -1 0 325.836 3.828 20 0 EHADRM O=C(Nc1nc(-c2ccc(O)cc2)cs1)c1c(F)ccc(O)c1F ZINC000339514270 1014632106 /nfs/dbraw/zinc/63/21/06/1014632106.db2.gz MTRZMVVOBOMXJS-UHFFFAOYSA-N -1 0 348.330 3.752 20 0 EHADRM CC[C@@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1cc(F)ccc1F ZINC001595237389 980144842 /nfs/dbraw/zinc/14/48/42/980144842.db2.gz FLIMPEIVVYDVNN-BMWLXYDHSA-N -1 0 335.306 3.537 20 0 EHADRM CC[C@](NC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595237741 980149564 /nfs/dbraw/zinc/14/95/64/980149564.db2.gz SFWYLNINLVVNLK-ZKRNXSKHSA-N -1 0 335.831 3.582 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)CCCCCc1cccs1)CC2 ZINC000872766509 980154600 /nfs/dbraw/zinc/15/46/00/980154600.db2.gz JJULJLYXZOEZPI-QAPCUYQASA-N -1 0 335.469 3.707 20 0 EHADRM CC[C@H](NC(=O)CNc1ccccc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001595242405 980164080 /nfs/dbraw/zinc/16/40/80/980164080.db2.gz DIUAPPLKTNGYAM-HNNXBMFYSA-N -1 0 346.814 3.718 20 0 EHADRM CC[C@@H](NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1cc(C)ccc1C ZINC001595247282 980189902 /nfs/dbraw/zinc/18/99/02/980189902.db2.gz KWLIMINPPMCRKE-DLBZAZTESA-N -1 0 344.455 3.651 20 0 EHADRM O=C([O-])CC1(CC(=O)NCCC2CCC(F)(F)CC2)CCCC1 ZINC000899852871 980233247 /nfs/dbraw/zinc/23/32/47/980233247.db2.gz MDVLSNPKNZCRNY-UHFFFAOYSA-N -1 0 331.403 3.743 20 0 EHADRM CC[C@@H](NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)[C@H]1CC1(C)C ZINC001595256358 980236682 /nfs/dbraw/zinc/23/66/82/980236682.db2.gz BFKMIKVRWUINFG-BXKDBHETSA-N -1 0 326.343 3.609 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(C(=O)[O-])c2ccccc12)[C@@H]1CCCO1 ZINC001595256872 980240533 /nfs/dbraw/zinc/24/05/33/980240533.db2.gz JQPQRPOSNXTKJE-RDJZCZTQSA-N -1 0 342.395 3.617 20 0 EHADRM C[C@@H](NC(=O)C[C@H](C)C1CCCCC1)c1ccc(OCC(=O)[O-])cc1 ZINC001593010357 980241834 /nfs/dbraw/zinc/24/18/34/980241834.db2.gz FSVGIHHIFIHYLQ-LSDHHAIUSA-N -1 0 347.455 3.934 20 0 EHADRM O=C([O-])c1cc2n(n1)CCC[C@H]2NCc1c(Cl)oc2ccccc21 ZINC000900070560 980242844 /nfs/dbraw/zinc/24/28/44/980242844.db2.gz MLUMXOQZPDTDSW-GFCCVEGCSA-N -1 0 345.786 3.606 20 0 EHADRM CC[C@@H](NC(=O)c1ccccc1CCC(=O)[O-])c1cc(F)ccc1F ZINC001595272178 980291097 /nfs/dbraw/zinc/29/10/97/980291097.db2.gz JTTSIEMJUMYMGV-QGZVFWFLSA-N -1 0 347.361 3.863 20 0 EHADRM O=C([O-])/C=C\c1ccc(CN2CCO[C@@H](c3cccc(Cl)c3)C2)o1 ZINC000901450626 980292778 /nfs/dbraw/zinc/29/27/78/980292778.db2.gz WODAUXWFLCAMEY-JTGQJZMRSA-N -1 0 347.798 3.604 20 0 EHADRM CC[C@H](N[C@H](C)c1nc(C(=O)[O-])co1)c1nc(C(F)(F)F)cs1 ZINC001595282249 980341789 /nfs/dbraw/zinc/34/17/89/980341789.db2.gz VQANKPISRAKFRI-RQJHMYQMSA-N -1 0 349.334 3.650 20 0 EHADRM C[C@H](N[C@@H](C(=O)[O-])c1ccc2c(c1)CCO2)c1cc2ccccc2o1 ZINC000901524878 980347734 /nfs/dbraw/zinc/34/77/34/980347734.db2.gz JAPZIPZVLATBHK-HXPMCKFVSA-N -1 0 337.375 3.844 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NCc1nc(Cl)cs1 ZINC000901607669 980403476 /nfs/dbraw/zinc/40/34/76/980403476.db2.gz UZZXTAFSNAYFDG-UHFFFAOYSA-N -1 0 326.805 3.894 20 0 EHADRM O=C([O-])CCc1ccc(NCc2ccc3c(c2)OCCCCO3)cc1 ZINC000901638227 980419471 /nfs/dbraw/zinc/41/94/71/980419471.db2.gz BWJHWRWNUZPJMF-UHFFFAOYSA-N -1 0 341.407 3.867 20 0 EHADRM COc1ccc([C@@H](N[C@H](CCc2ccccc2)C(F)F)C(=O)[O-])cc1 ZINC000901642930 980422238 /nfs/dbraw/zinc/42/22/38/980422238.db2.gz WKJZTCDYQWIRRE-IAGOWNOFSA-N -1 0 349.377 3.677 20 0 EHADRM CC[C@@H](Nc1cc(C)cc(OCCO)c1)c1ccc(C(=O)[O-])cc1 ZINC001595316294 980482721 /nfs/dbraw/zinc/48/27/21/980482721.db2.gz CSGKWWQUGYAYKN-GOSISDBHSA-N -1 0 329.396 3.628 20 0 EHADRM CC[C@H](Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC001595318195 980498312 /nfs/dbraw/zinc/49/83/12/980498312.db2.gz HHEKYCOYLOMSPR-HNNXBMFYSA-N -1 0 332.787 3.867 20 0 EHADRM C[C@H](Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1)c1ccccn1 ZINC000901774059 980504348 /nfs/dbraw/zinc/50/43/48/980504348.db2.gz HHCHPHKFLNIJCT-AWEZNQCLSA-N -1 0 325.412 3.943 20 0 EHADRM CC[C@H](Nc1ccc(OC[C@@H]2CCCO2)cc1)C1(C(=O)[O-])CCC1 ZINC001595319089 980505828 /nfs/dbraw/zinc/50/58/28/980505828.db2.gz YNGSFILDGZMTJW-IRXDYDNUSA-N -1 0 333.428 3.690 20 0 EHADRM Cc1ccc([C@@H](NCc2nc3c(s2)CCCC3)C(=O)[O-])cc1C ZINC000901843422 980564805 /nfs/dbraw/zinc/56/48/05/980564805.db2.gz HCVBTZVKDBOPMX-QGZVFWFLSA-N -1 0 330.453 3.554 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1Cc1cnc(C2CC2)s1 ZINC000902048538 980712878 /nfs/dbraw/zinc/71/28/78/980712878.db2.gz WYOFVHSHJWGFJX-HOTGVXAUSA-N -1 0 328.437 3.811 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001595356747 980715261 /nfs/dbraw/zinc/71/52/61/980715261.db2.gz JUYBYOMKPXYGDX-HLLBOEOZSA-N -1 0 347.455 3.727 20 0 EHADRM CC[C@H](Oc1ccccc1F)C(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001595358031 980728369 /nfs/dbraw/zinc/72/83/69/980728369.db2.gz YQWAMUZVMLRVJU-HNNXBMFYSA-N -1 0 331.343 3.628 20 0 EHADRM CCc1oc(CNc2ccc(C(=O)NC(C)(C)C)cc2)cc1C(=O)[O-] ZINC000902093069 980730048 /nfs/dbraw/zinc/73/00/48/980730048.db2.gz OCASOCJGKOLQMK-UHFFFAOYSA-N -1 0 344.411 3.681 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1cscc1C(F)F ZINC000902097994 980732133 /nfs/dbraw/zinc/73/21/33/980732133.db2.gz HIHWHZSLRAASGZ-CYBMUJFWSA-N -1 0 337.347 3.510 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC001595358947 980736951 /nfs/dbraw/zinc/73/69/51/980736951.db2.gz VPXPFELEKCQSSH-HNNXBMFYSA-N -1 0 335.469 3.803 20 0 EHADRM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001595359546 980742466 /nfs/dbraw/zinc/74/24/66/980742466.db2.gz DFKWRSXTKHNEKV-KZNAEPCWSA-N -1 0 342.439 3.528 20 0 EHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@H]1Nc1cccc(Oc2cnccn2)c1 ZINC000902117670 980742804 /nfs/dbraw/zinc/74/28/04/980742804.db2.gz VQEIFYVYZQHITP-XJKCOSOUSA-N -1 0 327.384 3.570 20 0 EHADRM C[C@@H](CC(C)(C)CC(=O)[O-])Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000902147572 980757081 /nfs/dbraw/zinc/75/70/81/980757081.db2.gz JQDNAMDNVOAPJN-YOEHRIQHSA-N -1 0 335.444 3.936 20 0 EHADRM O=C([O-])c1coc(CNc2ccc(C(=O)N3CCCCCC3)cc2)c1 ZINC000902153196 980760057 /nfs/dbraw/zinc/76/00/57/980760057.db2.gz DMNKAHJVPKSPMD-UHFFFAOYSA-N -1 0 342.395 3.606 20 0 EHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@H]1Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000902153064 980760130 /nfs/dbraw/zinc/76/01/30/980760130.db2.gz CFSZQPSGMNWRMS-IIDMSEBBSA-N -1 0 344.455 3.614 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cncc2ccccc21 ZINC001595361520 980762499 /nfs/dbraw/zinc/76/24/99/980762499.db2.gz YUCNOCCLOUJJPL-IBGZPJMESA-N -1 0 348.402 3.913 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@@H](C)Cc1ccccc1 ZINC001595361850 980765806 /nfs/dbraw/zinc/76/58/06/980765806.db2.gz QFWQHSQENWCPDD-QFBILLFUSA-N -1 0 339.435 3.930 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)CCCC(F)(F)F ZINC001595361930 980766794 /nfs/dbraw/zinc/76/67/94/980766794.db2.gz RRFIWZNFHBFZND-CYBMUJFWSA-N -1 0 331.334 3.784 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)CCCC(F)(F)F ZINC001595361931 980766847 /nfs/dbraw/zinc/76/68/47/980766847.db2.gz RRFIWZNFHBFZND-ZDUSSCGKSA-N -1 0 331.334 3.784 20 0 EHADRM Cc1oc(CNc2ccccc2OC[C@H]2CCCCO2)cc1C(=O)[O-] ZINC000902170990 980766997 /nfs/dbraw/zinc/76/69/97/980766997.db2.gz WPVZTMKLTHZULY-CQSZACIVSA-N -1 0 345.395 3.846 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)CCc1ccccc1F ZINC001595362176 980769020 /nfs/dbraw/zinc/76/90/20/980769020.db2.gz YESPVHUXIMOPBZ-GOSISDBHSA-N -1 0 343.398 3.823 20 0 EHADRM O=C([O-])CCC[C@H]1CCC[C@H](Nc2ccc3c(c2)NC(=O)CC3)C1 ZINC000902261040 980805454 /nfs/dbraw/zinc/80/54/54/980805454.db2.gz HULVAYVLIZSYFO-HIFRSBDPSA-N -1 0 330.428 3.797 20 0 EHADRM CCC1(C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])CCC(F)(F)CC1 ZINC001595366226 980812816 /nfs/dbraw/zinc/81/28/16/980812816.db2.gz WSHXKUSMPPNWMO-AWEZNQCLSA-N -1 0 345.430 3.989 20 0 EHADRM CC[C@@H](NCc1cc(C)c(C(=O)[O-])o1)c1cccc(OC)c1OC ZINC000902274375 980813863 /nfs/dbraw/zinc/81/38/63/980813863.db2.gz ZYNVYMWXRHDUHR-CQSZACIVSA-N -1 0 333.384 3.544 20 0 EHADRM CC[C@]1(C)Oc2ccc(NC(=O)CC3(CC(=O)[O-])CCCC3)cc2O1 ZINC001595371642 980852981 /nfs/dbraw/zinc/85/29/81/980852981.db2.gz JVMXRFWOELTEKH-GOSISDBHSA-N -1 0 347.411 3.948 20 0 EHADRM COCCOc1c(Cl)cc(N[C@H](C)[C@H]2C[C@H]2C(=O)[O-])cc1Cl ZINC000902380005 980862693 /nfs/dbraw/zinc/86/26/93/980862693.db2.gz FYRXANQFDBQOBI-FBIMIBRVSA-N -1 0 348.226 3.540 20 0 EHADRM C[C@H](Nc1ccc(F)cc1OCCC(F)(F)F)[C@H]1C[C@@H]1C(=O)[O-] ZINC000902392391 980867745 /nfs/dbraw/zinc/86/77/45/980867745.db2.gz GJQLPVBKIAARQT-GDPRMGEGSA-N -1 0 335.297 3.678 20 0 EHADRM C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1NCC(F)(F)c1ccc(F)cc1F ZINC000902497045 980910639 /nfs/dbraw/zinc/91/06/39/980910639.db2.gz NDRNZVQLELKAPY-BFVZDQMLSA-N -1 0 333.325 3.536 20 0 EHADRM O=C([O-])c1ccc(CN(CCC(F)(F)F)CC(F)(F)F)s1 ZINC000903686802 981013237 /nfs/dbraw/zinc/01/32/37/981013237.db2.gz UAXIFMAYDVEHKQ-UHFFFAOYSA-N -1 0 335.269 3.763 20 0 EHADRM CC[C@@H]1CC[C@H](C)N1C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001595415657 981029536 /nfs/dbraw/zinc/02/95/36/981029536.db2.gz JIILNAHGZNQMAH-WCBMZHEXSA-N -1 0 328.771 3.972 20 0 EHADRM CCC1CCC(N(C)C(=O)Cn2cc(C(=O)[O-])c3ccccc32)CC1 ZINC001595420587 981036872 /nfs/dbraw/zinc/03/68/72/981036872.db2.gz UJFFAWBBPJRZEV-UHFFFAOYSA-N -1 0 342.439 3.767 20 0 EHADRM CC[C@@H]1CCC[C@@]1(C)C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC001595436087 981067258 /nfs/dbraw/zinc/06/72/58/981067258.db2.gz OVSPTAREQQKFHW-SEDUGSJDSA-N -1 0 337.391 3.833 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1CNC(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001595441800 981080672 /nfs/dbraw/zinc/08/06/72/981080672.db2.gz UEQCAIFGNXETBY-GDBMZVCRSA-N -1 0 344.455 3.669 20 0 EHADRM CC[C@@H](CNC(=O)Nc1cccc(CSC(C)C)c1C)C(=O)[O-] ZINC000905053782 981087350 /nfs/dbraw/zinc/08/73/50/981087350.db2.gz GKDJRMRCRPOCGI-ZDUSSCGKSA-N -1 0 338.473 3.869 20 0 EHADRM CC[C@H]1CCCN(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)CC1 ZINC001595452948 981117297 /nfs/dbraw/zinc/11/72/97/981117297.db2.gz KHAXVZVVMLDFIL-LBPRGKRZSA-N -1 0 329.400 3.910 20 0 EHADRM C[C@@H](NCc1ccc(/C=C/C(=O)[O-])o1)c1cc(Cl)cc2c1OCC2 ZINC000905770664 981147819 /nfs/dbraw/zinc/14/78/19/981147819.db2.gz OQDIVXOEMDRTII-SGUJLRQBSA-N -1 0 347.798 3.817 20 0 EHADRM CC[C@@H]1CN(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)CCS1 ZINC001595475970 981193642 /nfs/dbraw/zinc/19/36/42/981193642.db2.gz VROAFWGRLCDSOC-CQSZACIVSA-N -1 0 344.436 3.897 20 0 EHADRM CCOc1ccc(NC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c(C)c1 ZINC000907640813 981203623 /nfs/dbraw/zinc/20/36/23/981203623.db2.gz VMWNSQYOYLIBIJ-OXQOHEQNSA-N -1 0 339.391 3.591 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2ccc(C3CC3)cc2F)C[C@@H]1c1ccccc1 ZINC000907750677 981215050 /nfs/dbraw/zinc/21/50/50/981215050.db2.gz RAYXKTMZXDLBBK-FOIQADDNSA-N -1 0 339.366 3.900 20 0 EHADRM CC[C@@H]1CN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC001595484107 981216988 /nfs/dbraw/zinc/21/69/88/981216988.db2.gz NOONVDLJOXJGOE-PXWWUCIGSA-N -1 0 332.227 3.618 20 0 EHADRM O=C([O-])c1cccc2c1CCN2C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000907976326 981248639 /nfs/dbraw/zinc/24/86/39/981248639.db2.gz HSJMYSVDCZKQOU-QWRGUYRKSA-N -1 0 341.329 3.643 20 0 EHADRM CC[C@@H]1c2ccsc2CCN1C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001595504870 981280011 /nfs/dbraw/zinc/28/00/11/981280011.db2.gz RBYWAOLBKMQMMB-NLNFPOJYSA-N -1 0 333.453 3.619 20 0 EHADRM O=C([O-])[C@H](CNC(=O)C[C@]12CCCC[C@H]1C2(F)F)CC1CCCC1 ZINC000908293834 981298261 /nfs/dbraw/zinc/29/82/61/981298261.db2.gz VRBLAUMLBLIREE-JJRVBVJISA-N -1 0 343.414 3.599 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)CCC1 ZINC000908337990 981303027 /nfs/dbraw/zinc/30/30/27/981303027.db2.gz GCDDDDXAKMXZMG-CHWSQXEVSA-N -1 0 349.393 3.897 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CCC(=O)NCCCCC2(C(=O)[O-])CCC2)o1 ZINC000908345071 981306072 /nfs/dbraw/zinc/30/60/72/981306072.db2.gz XSDSHEGVVBUHSN-HOCLYGCPSA-N -1 0 347.455 3.877 20 0 EHADRM Cc1ccc(SCC(=O)NCCCCC2(C(=O)[O-])CCC2)cc1 ZINC000908356229 981307657 /nfs/dbraw/zinc/30/76/57/981307657.db2.gz WQRVBRDSHPFSIL-UHFFFAOYSA-N -1 0 335.469 3.629 20 0 EHADRM CC/C(C)=C/C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000908420765 981317313 /nfs/dbraw/zinc/31/73/13/981317313.db2.gz XWNLKKXLQRIGJL-FROQITRMSA-N -1 0 329.318 3.694 20 0 EHADRM COc1c(NC(=O)[C@@H](C)CCc2ccccc2F)cccc1C(=O)[O-] ZINC000908507280 981319775 /nfs/dbraw/zinc/31/97/75/981319775.db2.gz KKVAHQXBBQCEIL-LBPRGKRZSA-N -1 0 345.370 3.740 20 0 EHADRM O=C([O-])CC1CCN(C(=O)c2ccccc2NC2CCCCC2)CC1 ZINC000908675501 981337560 /nfs/dbraw/zinc/33/75/60/981337560.db2.gz RGGANAPWQUFYPW-UHFFFAOYSA-N -1 0 344.455 3.758 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC000908799815 981364570 /nfs/dbraw/zinc/36/45/70/981364570.db2.gz BOCINRHLARFXHU-IIYDPXPESA-N -1 0 340.423 3.588 20 0 EHADRM CCCC(=O)Nc1ccc(CNc2ncc(C(=O)[O-])cc2Cl)cc1 ZINC001595529589 981364789 /nfs/dbraw/zinc/36/47/89/981364789.db2.gz ZYHHHHCOHRVHGL-UHFFFAOYSA-N -1 0 347.802 3.784 20 0 EHADRM CCC[C@@H](C(=O)N1CCCc2ccc(C(=O)[O-])cc21)c1ccccn1 ZINC001595532134 981370106 /nfs/dbraw/zinc/37/01/06/981370106.db2.gz FHOFAYKRVUFGHX-MRXNPFEDSA-N -1 0 338.407 3.643 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)C[C@H](C)c1c[nH]c2ccccc21 ZINC000908860399 981379498 /nfs/dbraw/zinc/37/94/98/981379498.db2.gz FXDZTLDBUSMRNB-AWEZNQCLSA-N -1 0 330.428 3.621 20 0 EHADRM CCC[C@H](C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1ccccn1 ZINC001595537128 981386296 /nfs/dbraw/zinc/38/62/96/981386296.db2.gz IAXPAMMMXJLNBY-AWEZNQCLSA-N -1 0 332.787 3.956 20 0 EHADRM CCC[C@@](C)(NC(=O)CCC[C@H](C)c1cccc(OC)c1)C(=O)[O-] ZINC001595547312 981419191 /nfs/dbraw/zinc/41/91/91/981419191.db2.gz MNKYCQVSIBLZLO-IFXJQAMLSA-N -1 0 335.444 3.729 20 0 EHADRM CC[C@@H]1C[C@@H](CC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CCO1 ZINC000909108613 981419449 /nfs/dbraw/zinc/41/94/49/981419449.db2.gz UBYZYNRTJVDXJA-CMPLNLGQSA-N -1 0 325.792 3.572 20 0 EHADRM CCC[C@](C)(NC(=O)CSc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001595547371 981419907 /nfs/dbraw/zinc/41/99/07/981419907.db2.gz RCKUMWWYKPHAPE-SFHVURJKSA-N -1 0 337.485 3.836 20 0 EHADRM CCC[C@@](C)(NC(=O)c1cc2c3ccccc3n(C)c2s1)C(=O)[O-] ZINC001595553202 981427917 /nfs/dbraw/zinc/42/79/17/981427917.db2.gz LNJJQERTOCTATL-GOSISDBHSA-N -1 0 344.436 3.766 20 0 EHADRM CCC[C@@](C)(NC(=O)c1cc(F)cc(C(=O)[O-])c1)c1ccccc1 ZINC001595554117 981434594 /nfs/dbraw/zinc/43/45/94/981434594.db2.gz ZYECJYKSFFQQHE-LJQANCHMSA-N -1 0 329.371 3.969 20 0 EHADRM O=C([O-])[C@H](CNC(=O)[C@@H]1CCC[C@@H]1c1ccccc1)c1ccccc1 ZINC000909293434 981461648 /nfs/dbraw/zinc/46/16/48/981461648.db2.gz IWLDFQXHSUJIED-GUDVDZBRSA-N -1 0 337.419 3.555 20 0 EHADRM O=C([O-])[C@H](CNC(=O)[C@H]1CCC[C@H]1c1ccccc1)c1ccccc1 ZINC000909293433 981461655 /nfs/dbraw/zinc/46/16/55/981461655.db2.gz IWLDFQXHSUJIED-GBESFXJTSA-N -1 0 337.419 3.555 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc(C)c(Oc2ccncc2)c1 ZINC000909313824 981466907 /nfs/dbraw/zinc/46/69/07/981466907.db2.gz SCDQLECNGUSKSN-AWEZNQCLSA-N -1 0 342.395 3.508 20 0 EHADRM CCSCc1ccccc1C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000909492933 981509436 /nfs/dbraw/zinc/50/94/36/981509436.db2.gz XKGOHTRGTKHZLJ-HNNXBMFYSA-N -1 0 349.496 3.903 20 0 EHADRM COc1cccc2c1[C@H](C(=O)Nc1cc(C(=O)[O-])c(C)cc1C)CC2 ZINC000909514356 981521563 /nfs/dbraw/zinc/52/15/63/981521563.db2.gz ZRNUHEGJHBOBFR-CQSZACIVSA-N -1 0 339.391 3.679 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000909552080 981539491 /nfs/dbraw/zinc/53/94/91/981539491.db2.gz NUSYXDTZENJJPQ-LLVKDONJSA-N -1 0 343.345 3.522 20 0 EHADRM CCC[C@@H](NC(=O)N1CCc2c(cccc2C(=O)[O-])C1)C1CCCC1 ZINC001595598584 981568448 /nfs/dbraw/zinc/56/84/48/981568448.db2.gz LQTRVWICXHUMPI-GOSISDBHSA-N -1 0 344.455 3.811 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3CCC(c4ccsc4)CC3)(CC1)CC2 ZINC000909728103 981581934 /nfs/dbraw/zinc/58/19/34/981581934.db2.gz RWCNLGVZSMBKNQ-UHFFFAOYSA-N -1 0 347.480 3.879 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N(C)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC001594741035 981609028 /nfs/dbraw/zinc/60/90/28/981609028.db2.gz MCMKFHIJHHOHLX-CQSZACIVSA-N -1 0 335.787 3.669 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N[C@@H](CCc1ccccc1)c1ccccc1 ZINC001594746744 981635153 /nfs/dbraw/zinc/63/51/53/981635153.db2.gz BEEUNMCBAYTWNJ-MSOLQXFVSA-N -1 0 325.408 3.588 20 0 EHADRM CCCC1(CNC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])CC1 ZINC001595616769 981645887 /nfs/dbraw/zinc/64/58/87/981645887.db2.gz AHTTXYWEDUCYMV-OAHLLOKOSA-N -1 0 332.444 3.718 20 0 EHADRM O=C([O-])[C@@H](NCc1ccc(F)c(Cl)c1)c1cc(F)ccc1F ZINC000683175011 1014752486 /nfs/dbraw/zinc/75/24/86/1014752486.db2.gz ZAWPGYQRYTYYNI-AWEZNQCLSA-N -1 0 329.705 3.673 20 0 EHADRM Cc1sc(CC(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)nc1C(C)C ZINC000909832755 981650707 /nfs/dbraw/zinc/65/07/07/981650707.db2.gz GHUQHNBWANUVTL-LLVKDONJSA-N -1 0 346.452 3.944 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)Nc1ccccc1Oc1cc(F)cc(F)c1 ZINC001594761799 981694449 /nfs/dbraw/zinc/69/44/49/981694449.db2.gz HRVACZBYASRROB-ZDUSSCGKSA-N -1 0 335.306 3.806 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@@H](C)OC1CCCCC1)c1ccccc1 ZINC001594764182 981705328 /nfs/dbraw/zinc/70/53/28/981705328.db2.gz JRFIAXJVVIKYOR-RHSMWYFYSA-N -1 0 333.428 3.621 20 0 EHADRM Cc1cccc(-c2cccc(C(=O)N[C@@](C)(CCF)C(=O)[O-])c2)c1 ZINC000909969508 981719335 /nfs/dbraw/zinc/71/93/35/981719335.db2.gz GGOWAFRFTNLSPC-IBGZPJMESA-N -1 0 329.371 3.595 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1c(F)cc(C)cc1F)c1ccccc1 ZINC001594768286 981729524 /nfs/dbraw/zinc/72/95/24/981729524.db2.gz UFESTNHVCXZDLU-OAHLLOKOSA-N -1 0 333.334 3.783 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1ccoc1C(F)(F)F)c1ccccc1 ZINC001594769783 981733419 /nfs/dbraw/zinc/73/34/19/981733419.db2.gz ARGCVSHNYREORF-GFCCVEGCSA-N -1 0 341.285 3.808 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@H]3CCCc4ccc(F)cc43)(CC1)CC2 ZINC000910011653 981734018 /nfs/dbraw/zinc/73/40/18/981734018.db2.gz JTKXAMUUUZCKTJ-DZIBYMRMSA-N -1 0 345.414 3.745 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1C[C@H](c2ccc(C)cc2)C[C@@H]1C ZINC000910012578 981734166 /nfs/dbraw/zinc/73/41/66/981734166.db2.gz RKCRZZSOZTWBGV-DZGCQCFKSA-N -1 0 327.380 3.613 20 0 EHADRM CCC(C)(C)C(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC000910083420 981754639 /nfs/dbraw/zinc/75/46/39/981754639.db2.gz LTHNEHTVLQMAGF-UHFFFAOYSA-N -1 0 328.206 3.830 20 0 EHADRM Cc1c(NC(=O)[C@@H]2CC=CCC2)cc(Br)cc1C(=O)[O-] ZINC000910084965 981755466 /nfs/dbraw/zinc/75/54/66/981755466.db2.gz PGPOMBBOPZHPQM-SNVBAGLBSA-N -1 0 338.201 3.751 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)C[C@@H](C)c1ccccc1F ZINC001594780613 981784248 /nfs/dbraw/zinc/78/42/48/981784248.db2.gz GJXUIBOIXPPMKJ-BFUOFWGJSA-N -1 0 335.419 3.811 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)C1(Cc2ccc(F)cc2)CC1 ZINC001594781545 981787312 /nfs/dbraw/zinc/78/73/12/981787312.db2.gz KPPLRWOSZKOPAY-IBGZPJMESA-N -1 0 347.430 3.640 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@H](C)c1cccc(Cl)c1 ZINC001594782831 981792785 /nfs/dbraw/zinc/79/27/85/981792785.db2.gz UAGHDOFMPUWIGB-KZULUSFZSA-N -1 0 337.847 3.935 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cscc1C(F)F ZINC001594785623 981805425 /nfs/dbraw/zinc/80/54/25/981805425.db2.gz MFMOXYDFTFLMPQ-HNNXBMFYSA-N -1 0 331.384 3.791 20 0 EHADRM CCCC[C@H](C(=O)[O-])S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC001595629725 981806193 /nfs/dbraw/zinc/80/61/93/981806193.db2.gz MUCASKHHEIDXHT-GFCCVEGCSA-N -1 0 339.240 3.552 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3CC[C@@H](c4ccc(Cl)cc4)C3)(CC1)C2 ZINC000910241386 981808958 /nfs/dbraw/zinc/80/89/58/981808958.db2.gz APTMWRQJVLLISO-FTXHTYHOSA-N -1 0 347.842 3.691 20 0 EHADRM CCCC[C@@](C)(CO)NC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001595630282 981817853 /nfs/dbraw/zinc/81/78/53/981817853.db2.gz ACRQHYVREPLDJW-IBGZPJMESA-N -1 0 344.411 3.601 20 0 EHADRM CCn1nc(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)cc1C1CC1 ZINC000910246874 981818312 /nfs/dbraw/zinc/81/83/12/981818312.db2.gz NYMYMVHPEOKEGZ-UHFFFAOYSA-N -1 0 349.390 3.884 20 0 EHADRM COc1ccc(N(CCC(C)C)C(=O)c2ccoc2CC(=O)[O-])cc1 ZINC000910250351 981823845 /nfs/dbraw/zinc/82/38/45/981823845.db2.gz HTEJEBVOTDSJAZ-UHFFFAOYSA-N -1 0 345.395 3.608 20 0 EHADRM CC(C)c1ccc2occ(C(=O)N3C4CCC3(C(=O)[O-])CC4)c2c1 ZINC000910294835 981848295 /nfs/dbraw/zinc/84/82/95/981848295.db2.gz JJIZMSAVMDZUBO-UHFFFAOYSA-N -1 0 327.380 3.778 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)[C@H]2CCC(=O)c3ccccc32)cc1 ZINC000910301745 981859883 /nfs/dbraw/zinc/85/98/83/981859883.db2.gz WCVSTJPRHJGRGU-OKZBNKHCSA-N -1 0 349.386 3.574 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(OCC(C)C)cc1 ZINC001594793678 981866543 /nfs/dbraw/zinc/86/65/43/981866543.db2.gz WLEVAXLDTZASQN-HXUWFJFHSA-N -1 0 347.455 3.827 20 0 EHADRM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)CC1 ZINC001594796494 981877625 /nfs/dbraw/zinc/87/76/25/981877625.db2.gz BAVQYSIBBUHJMK-NUDHSDCWSA-N -1 0 335.488 3.941 20 0 EHADRM CCCC[C@@H](NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001595634586 981890193 /nfs/dbraw/zinc/89/01/93/981890193.db2.gz QIAWHFGNGSTVBW-XJKSGUPXSA-N -1 0 335.444 3.511 20 0 EHADRM CSc1cc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)c(C)o1 ZINC000910360862 981890879 /nfs/dbraw/zinc/89/08/79/981890879.db2.gz KXFHOIGICBBESL-NSHDSACASA-N -1 0 331.393 3.529 20 0 EHADRM CCC(C)(C)CNC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001594801320 981896555 /nfs/dbraw/zinc/89/65/55/981896555.db2.gz KVIZYQZYFWKAHN-HNNXBMFYSA-N -1 0 332.444 3.540 20 0 EHADRM CCC(C)(C)OCC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001594808342 981916512 /nfs/dbraw/zinc/91/65/12/981916512.db2.gz CDGYGEHMMIKOJO-INIZCTEOSA-N -1 0 349.471 3.821 20 0 EHADRM CCCC[C@@H](NC(=O)c1ccc(-c2csc(C)n2)s1)C(=O)[O-] ZINC001595636741 981922052 /nfs/dbraw/zinc/92/20/52/981922052.db2.gz OHOWRPPCITZBCL-SNVBAGLBSA-N -1 0 338.454 3.553 20 0 EHADRM CCCC[C@H](N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1)C(=O)[O-] ZINC001595637415 981931059 /nfs/dbraw/zinc/93/10/59/981931059.db2.gz GNGKEJPIDKDJAX-GWCFXTLKSA-N -1 0 337.807 3.684 20 0 EHADRM CCC(C)(C)OCc1cccc(NC(=O)N[C@H](C)CC(=O)[O-])c1C ZINC001594814614 981939191 /nfs/dbraw/zinc/93/91/91/981939191.db2.gz RNOXVQQOJOVSDU-GFCCVEGCSA-N -1 0 336.432 3.685 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)C[C@]23CCCC[C@H]2C3(F)F)c2ccccc21 ZINC000910480646 981953863 /nfs/dbraw/zinc/95/38/63/981953863.db2.gz ZMICNUBCJACKOF-BASYENTBSA-N -1 0 349.377 3.631 20 0 EHADRM CC[C@H](CC(=O)N1CCc2cc(C(=O)[O-])ccc2C1)c1ccccc1 ZINC000910498978 981965168 /nfs/dbraw/zinc/96/51/68/981965168.db2.gz PCIICPHDPSAYAW-OAHLLOKOSA-N -1 0 337.419 3.853 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1ccnc(-c2ccco2)c1 ZINC000910504702 981970112 /nfs/dbraw/zinc/97/01/12/981970112.db2.gz SVNAELAFPKOQJU-UHFFFAOYSA-N -1 0 344.411 3.551 20 0 EHADRM CCCC[C@H](S[C@@H](C)C(=O)Nc1ccc(F)cc1F)C(=O)[O-] ZINC001595651117 982017711 /nfs/dbraw/zinc/01/77/11/982017711.db2.gz BZULKRQCYIHQJY-ZANVPECISA-N -1 0 331.384 3.668 20 0 EHADRM CCCC[C@H](OC(=O)c1csc(-c2ccc(C)cc2)n1)C(=O)[O-] ZINC001595652177 982031604 /nfs/dbraw/zinc/03/16/04/982031604.db2.gz PPFHPSJFSDCLGF-AWEZNQCLSA-N -1 0 333.409 3.919 20 0 EHADRM CCCC[C@@H](S[C@@H](C)C(=O)N(CC)C1CCCCC1)C(=O)[O-] ZINC001595653018 982038709 /nfs/dbraw/zinc/03/87/09/982038709.db2.gz ZVOYTJRQPJQVIV-DZGCQCFKSA-N -1 0 329.506 3.933 20 0 EHADRM CC[C@@](C)(NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])C1CC1 ZINC001594841616 982056438 /nfs/dbraw/zinc/05/64/38/982056438.db2.gz LDNLTWAIUOVYMW-HNAYVOBHSA-N -1 0 332.444 3.716 20 0 EHADRM CCCC[C@@H](Sc1nnc(CCCc2ccccc2)o1)C(=O)[O-] ZINC001595657039 982059223 /nfs/dbraw/zinc/05/92/23/982059223.db2.gz HFLNZEYFCPDWEM-CQSZACIVSA-N -1 0 334.441 3.980 20 0 EHADRM Cc1ccccc1NCCC(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC000910699457 982069598 /nfs/dbraw/zinc/06/95/98/982069598.db2.gz AYMQTQMOMAAAEQ-UHFFFAOYSA-N -1 0 347.440 3.714 20 0 EHADRM CSc1cc(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)c(C)o1 ZINC000910703416 982072755 /nfs/dbraw/zinc/07/27/55/982072755.db2.gz MZRHWEYJDUOHPM-UHFFFAOYSA-N -1 0 340.426 3.840 20 0 EHADRM CCCCC1CCC(NC(=O)NCc2ccc(C(=O)[O-])s2)CC1 ZINC001595661753 982076804 /nfs/dbraw/zinc/07/68/04/982076804.db2.gz XLQFUJNMWOXPKC-UHFFFAOYSA-N -1 0 338.473 3.995 20 0 EHADRM CCc1oc(C(=O)N2CCC[C@H]2c2nc(C(=O)[O-])c(C)s2)cc1C ZINC000910726798 982091088 /nfs/dbraw/zinc/09/10/88/982091088.db2.gz KDUXGFBDBUKTIL-NSHDSACASA-N -1 0 348.424 3.591 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)CC2=CCCCC2)nc1C(=O)[O-] ZINC000910731001 982093298 /nfs/dbraw/zinc/09/32/98/982093298.db2.gz LXZZWNNVQXZSOX-ZDUSSCGKSA-N -1 0 334.441 3.704 20 0 EHADRM CC(C)Oc1ccc(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)cc1 ZINC000910738237 982098994 /nfs/dbraw/zinc/09/89/94/982098994.db2.gz YIYUSFNYPOEYRB-UHFFFAOYSA-N -1 0 346.408 3.758 20 0 EHADRM CCCCC[C@@H](C)CC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001595666606 982105366 /nfs/dbraw/zinc/10/53/66/982105366.db2.gz OXLCDVWVSXVKCX-OXQOHEQNSA-N -1 0 331.456 3.848 20 0 EHADRM CCCCC[C@@H](NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001595669248 982113455 /nfs/dbraw/zinc/11/34/55/982113455.db2.gz GOLCFTNFIFABNH-WMLDXEAASA-N -1 0 349.471 3.901 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(Oc2ccccc2F)nc1 ZINC000910803028 982124433 /nfs/dbraw/zinc/12/44/33/982124433.db2.gz YKNNFUHRKCIMLN-UHFFFAOYSA-N -1 0 346.358 3.843 20 0 EHADRM CC(C)(CNC(=O)[C@H]1C[C@H]1c1cccc2ccccc21)CC(=O)[O-] ZINC000910822939 982140205 /nfs/dbraw/zinc/14/02/05/982140205.db2.gz MZEDDGNLAJNUDB-IRXDYDNUSA-N -1 0 325.408 3.560 20 0 EHADRM C[C@H](c1ccc(C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)cc1)C(F)(F)F ZINC000910857810 982147187 /nfs/dbraw/zinc/14/71/87/982147187.db2.gz KAMPHFHXVHCYSK-JTNHKYCSSA-N -1 0 343.345 3.535 20 0 EHADRM CC/C(C)=C(\C)C(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001594861756 982150099 /nfs/dbraw/zinc/15/00/99/982150099.db2.gz LFHSFTPGLVJTSK-BQYQJAHWSA-N -1 0 344.180 3.971 20 0 EHADRM C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)C[C@H]1CC(=O)[O-] ZINC000910862687 982152509 /nfs/dbraw/zinc/15/25/09/982152509.db2.gz HFFWJAMPSSDHSC-BPQTVZERSA-N -1 0 337.419 3.513 20 0 EHADRM CCCCC[C@@H](NC(=O)c1cccc(Oc2ccccn2)c1)C(=O)[O-] ZINC001595681877 982164665 /nfs/dbraw/zinc/16/46/65/982164665.db2.gz WNGINCMLPVSBDE-MRXNPFEDSA-N -1 0 342.395 3.637 20 0 EHADRM CC[C@H](C)C(=O)Nc1c(OCc2ccccc2)cccc1C(=O)[O-] ZINC001594865871 982171540 /nfs/dbraw/zinc/17/15/40/982171540.db2.gz LZGGYQLBQUXWIU-ZDUSSCGKSA-N -1 0 327.380 3.948 20 0 EHADRM CCCCC[C@@H](O)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001595690370 982195712 /nfs/dbraw/zinc/19/57/12/982195712.db2.gz JNJDKIPYXIYODC-DLBZAZTESA-N -1 0 349.471 3.557 20 0 EHADRM CCCCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001595691036 982204180 /nfs/dbraw/zinc/20/41/80/982204180.db2.gz YFUFPZFDHWLZJU-CQSZACIVSA-N -1 0 339.457 3.508 20 0 EHADRM CCCC[C@H](C(=O)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1)C(C)C ZINC000911046486 982211680 /nfs/dbraw/zinc/21/16/80/982211680.db2.gz OTRRLZBQLZKNLA-OLZOCXBDSA-N -1 0 338.473 3.620 20 0 EHADRM CCCCCC[C@@H](C)C(=O)N1CCOc2ccccc2[C@@H]1C(=O)[O-] ZINC001595694900 982214931 /nfs/dbraw/zinc/21/49/31/982214931.db2.gz KNVAUPWJOQOFAK-RHSMWYFYSA-N -1 0 333.428 3.640 20 0 EHADRM C[C@@]1(Cc2cccs2)CCCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000911060931 982219749 /nfs/dbraw/zinc/21/97/49/982219749.db2.gz GMZZJCQBPGXCSZ-INIZCTEOSA-N -1 0 335.450 3.745 20 0 EHADRM O=C([O-])c1coc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1 ZINC000911135614 982254709 /nfs/dbraw/zinc/25/47/09/982254709.db2.gz LZGGZGXTUIXWPI-UHFFFAOYSA-N -1 0 343.335 3.662 20 0 EHADRM CCCCCC[C@@H](C)CC(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001595699157 982256422 /nfs/dbraw/zinc/25/64/22/982256422.db2.gz WTGGHFNXBHUAQZ-XZZQLLPFSA-N -1 0 339.476 3.512 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)CCOc1cc(C)ccc1C(C)C)C(=O)[O-] ZINC001594887752 982275588 /nfs/dbraw/zinc/27/55/88/982275588.db2.gz UJHKCHWTHFFWIP-RDTXWAMCSA-N -1 0 335.444 3.503 20 0 EHADRM CCCCCCN(Cc1ccc(C)o1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001595709192 982291378 /nfs/dbraw/zinc/29/13/78/982291378.db2.gz VFTDMMMDEZAWAU-GASCZTMLSA-N -1 0 336.432 3.543 20 0 EHADRM CCCCCN(C(=O)Cn1cc(C(=O)[O-])c2ccccc21)C(C)C ZINC001595715417 982313906 /nfs/dbraw/zinc/31/39/06/982313906.db2.gz TUDCUYMXSJWJDV-UHFFFAOYSA-N -1 0 330.428 3.767 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)Nc1ccc(F)cc1NC1CC1 ZINC000911331360 982355248 /nfs/dbraw/zinc/35/52/48/982355248.db2.gz FCAATJHTSVFQFE-UHFFFAOYSA-N -1 0 342.370 3.670 20 0 EHADRM O=C([O-])c1cc(NC(=O)C[C@H]2CCC3(CCC3)CO2)cc2[nH]ccc21 ZINC000911386812 982411197 /nfs/dbraw/zinc/41/11/97/982411197.db2.gz KEYULGGYDRPJNF-CYBMUJFWSA-N -1 0 342.395 3.544 20 0 EHADRM Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000911399315 982418137 /nfs/dbraw/zinc/41/81/37/982418137.db2.gz QYEDYWYGRAXMNM-CPUCHLNUSA-N -1 0 333.403 3.689 20 0 EHADRM CC[C@H](C)[C@H](Nc1ccc(Oc2ccc(Cl)nn2)cc1)C(=O)[O-] ZINC001594922268 982476399 /nfs/dbraw/zinc/47/63/99/982476399.db2.gz YPFMWZQBRQZGNO-BONVTDFDSA-N -1 0 335.791 3.834 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000911546679 982490560 /nfs/dbraw/zinc/49/05/60/982490560.db2.gz WAQFSWOUVRGRLQ-GFCCVEGCSA-N -1 0 346.402 3.514 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N[C@H]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000911574501 982512842 /nfs/dbraw/zinc/51/28/42/982512842.db2.gz UNLIFNOZLDQMDS-YJBOKZPZSA-N -1 0 341.382 3.519 20 0 EHADRM CC[C@@H](C)[C@@H](Sc1nnc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC001594928753 982541620 /nfs/dbraw/zinc/54/16/20/982541620.db2.gz MHRPOGBRWMUYHF-LDYMZIIASA-N -1 0 326.805 3.981 20 0 EHADRM CCCCOc1ccccc1NC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001595780798 982554464 /nfs/dbraw/zinc/55/44/64/982554464.db2.gz HPISZYRPNFIUJL-UHFFFAOYSA-N -1 0 348.424 3.947 20 0 EHADRM CCCCSCCC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001595791574 982590249 /nfs/dbraw/zinc/59/02/49/982590249.db2.gz CRVZYSVTLVMTSU-INIZCTEOSA-N -1 0 349.496 3.844 20 0 EHADRM CCCCc1cc(NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)n[nH]1 ZINC001595792161 982591552 /nfs/dbraw/zinc/59/15/52/982591552.db2.gz NIFSOJPYFWIRGK-UHFFFAOYSA-N -1 0 344.415 3.759 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC001594937193 982598117 /nfs/dbraw/zinc/59/81/17/982598117.db2.gz RXHRKBQCYPXWFI-YJBOKZPZSA-N -1 0 339.435 3.824 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)[C@@H](C)Sc1ccccc1Cl)C(=O)[O-] ZINC001594937539 982600801 /nfs/dbraw/zinc/60/08/01/982600801.db2.gz WDOXXAPDVDRFSO-LOWVWBTDSA-N -1 0 343.876 3.826 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)/C=C\c1ccsc1C(F)(F)F)C(=O)[O-] ZINC001594938717 982608728 /nfs/dbraw/zinc/60/87/28/982608728.db2.gz OWJBCIYQBUZKIZ-WOMWGJRJSA-N -1 0 349.374 3.786 20 0 EHADRM CC1(c2cccc(Cl)c2)CCN(C(=O)CCCCC(=O)[O-])CC1 ZINC000911717184 982610966 /nfs/dbraw/zinc/61/09/66/982610966.db2.gz HMZMTAJFYSFYBV-UHFFFAOYSA-N -1 0 337.847 3.865 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)/C=C/c1ccc(F)c2ccccc12)C(=O)[O-] ZINC001594940163 982612950 /nfs/dbraw/zinc/61/29/50/982612950.db2.gz YADXNDXYUMHCJM-HDGRVYTKSA-N -1 0 343.398 3.998 20 0 EHADRM CC(C)Oc1c(NC(=O)C[C@@H](C)C(F)(F)F)cccc1C(=O)[O-] ZINC000911734494 982619226 /nfs/dbraw/zinc/61/92/26/982619226.db2.gz SXVIUUPQUUQWGG-SECBINFHSA-N -1 0 333.306 3.699 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)N[C@@H](C[C@@H](C)CC)C(=O)[O-] ZINC001594942367 982619306 /nfs/dbraw/zinc/61/93/06/982619306.db2.gz OXESSDHHGMZRAE-LZWOXQAQSA-N -1 0 335.444 3.585 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)CSc1ccc(C(C)C)cc1)C(=O)[O-] ZINC001594942496 982620135 /nfs/dbraw/zinc/62/01/35/982620135.db2.gz QPBNANYWCWEMFA-XJKSGUPXSA-N -1 0 337.485 3.908 20 0 EHADRM CC(C)Oc1c(NC(=O)[C@@H](C)Oc2ccccc2)cccc1C(=O)[O-] ZINC000911739637 982622109 /nfs/dbraw/zinc/62/21/09/982622109.db2.gz WTJZUWGNFFGLNC-CYBMUJFWSA-N -1 0 343.379 3.578 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)c1cc(-n2cccc2)ccc1Cl)C(=O)[O-] ZINC001594946534 982641969 /nfs/dbraw/zinc/64/19/69/982641969.db2.gz XORUHTOBMVKNNR-BLLLJJGKSA-N -1 0 348.830 3.750 20 0 EHADRM Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000914729766 982656499 /nfs/dbraw/zinc/65/64/99/982656499.db2.gz SJUDTCQYIREGJF-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM CC(C)(C)c1ccc(OCC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000914729676 982656589 /nfs/dbraw/zinc/65/65/89/982656589.db2.gz NTZRVMJHAAZJMM-UHFFFAOYSA-N -1 0 345.370 3.839 20 0 EHADRM Cc1oc(-c2cccs2)nc1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000915855166 982669568 /nfs/dbraw/zinc/66/95/68/982669568.db2.gz MTQXTHYHSMXSER-UHFFFAOYSA-N -1 0 346.339 3.801 20 0 EHADRM CCCN(C(=O)CCCC(=O)c1c(C)cc(C)cc1C)[C@@H](C)C(=O)[O-] ZINC001595816259 982671026 /nfs/dbraw/zinc/67/10/26/982671026.db2.gz HDGWCJAFWRFIJY-INIZCTEOSA-N -1 0 347.455 3.677 20 0 EHADRM CC[C@@H]1CCc2nc(NC(=O)c3ccc(C(=O)[O-])s3)sc2C1 ZINC000916508538 982676447 /nfs/dbraw/zinc/67/64/47/982676447.db2.gz ZYJPMRQCOHMXPO-MRVPVSSYSA-N -1 0 336.438 3.670 20 0 EHADRM CCCN(C(=O)c1cc(C(=O)[O-])co1)[C@H](C)c1ccccc1OC ZINC001595824314 982702055 /nfs/dbraw/zinc/70/20/55/982702055.db2.gz CHOFUGUHFZLOCR-GFCCVEGCSA-N -1 0 331.368 3.600 20 0 EHADRM CCCN(C(=O)c1ccc(Cl)c(C(F)(F)F)c1)[C@H](C)C(=O)[O-] ZINC001595828082 982714461 /nfs/dbraw/zinc/71/44/61/982714461.db2.gz ZSKNDBDYFIODOQ-MRVPVSSYSA-N -1 0 337.725 3.684 20 0 EHADRM CCc1c(C(=O)Nc2cc(C(=O)[O-])sc2C)cnn1C(C)(C)C ZINC000923090729 982716670 /nfs/dbraw/zinc/71/66/70/982716670.db2.gz NCDXKCJXHKUQIL-UHFFFAOYSA-N -1 0 335.429 3.521 20 0 EHADRM CCc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000064690958 1014874156 /nfs/dbraw/zinc/87/41/56/1014874156.db2.gz MDHCWPYUCIRQKC-UHFFFAOYSA-N -1 0 341.791 3.735 20 0 EHADRM CCCN(C(=O)c1csc(C(=O)[O-])n1)[C@@H](CC)c1ccccc1 ZINC001595831985 982724777 /nfs/dbraw/zinc/72/47/77/982724777.db2.gz UPCYGWXNYNROPQ-AWEZNQCLSA-N -1 0 332.425 3.845 20 0 EHADRM CC(C)Oc1c(NC(=O)[C@H]2CCO[C@H](C(C)C)C2)cccc1C(=O)[O-] ZINC000923111379 982731728 /nfs/dbraw/zinc/73/17/28/982731728.db2.gz RADQTDYOKPRDEF-BBRMVZONSA-N -1 0 349.427 3.562 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC001594968393 982734432 /nfs/dbraw/zinc/73/44/32/982734432.db2.gz MWGPVBARCGZMST-WDEREUQCSA-N -1 0 346.254 3.884 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)NCCc1ccccc1C(=O)[O-] ZINC000923122537 982742290 /nfs/dbraw/zinc/74/22/90/982742290.db2.gz PDRIITIVCJMXSB-QGZVFWFLSA-N -1 0 343.448 3.614 20 0 EHADRM O=C([O-])c1ccccc1CCNC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000923132736 982745636 /nfs/dbraw/zinc/74/56/36/982745636.db2.gz LETZJMVMFMIQOI-UWWQBHOKSA-N -1 0 329.440 3.650 20 0 EHADRM O=C([O-])c1ccccc1CCNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000923132735 982745847 /nfs/dbraw/zinc/74/58/47/982745847.db2.gz LETZJMVMFMIQOI-QILLFSRXSA-N -1 0 329.440 3.650 20 0 EHADRM Cc1cc2ccccc2c(NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1 ZINC000926134192 982873774 /nfs/dbraw/zinc/87/37/74/982873774.db2.gz SDAQQHBPSHMBFO-DLBZAZTESA-N -1 0 338.407 3.723 20 0 EHADRM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001594996752 982902422 /nfs/dbraw/zinc/90/24/22/982902422.db2.gz PBWKPLUJIIPBJS-ZDUSSCGKSA-N -1 0 345.395 3.702 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001594999396 982906236 /nfs/dbraw/zinc/90/62/36/982906236.db2.gz FPCXTNUBSBUFLC-KSSFIOAISA-N -1 0 347.455 3.875 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC001595000417 982912437 /nfs/dbraw/zinc/91/24/37/982912437.db2.gz WCHODRJYYHPBFJ-XOBRGWDASA-N -1 0 341.407 3.594 20 0 EHADRM CCCN(Cc1ccccc1F)Cc1ccccc1OCC(=O)[O-] ZINC001595890774 982922377 /nfs/dbraw/zinc/92/23/77/982922377.db2.gz CXPXYWSBPSBTTG-UHFFFAOYSA-N -1 0 331.387 3.701 20 0 EHADRM COc1ccc(S[C@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2C)cc1 ZINC001116330034 982929431 /nfs/dbraw/zinc/92/94/31/982929431.db2.gz RRYFURORXFZNNQ-GFCCVEGCSA-N -1 0 345.420 3.821 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)CCc2ccc(C(=O)[O-])cc2)n1 ZINC001595009780 982936993 /nfs/dbraw/zinc/93/69/93/982936993.db2.gz YXXNVXBQMIOUOX-CYBMUJFWSA-N -1 0 342.395 3.528 20 0 EHADRM CC[C@H](C)c1ccc([C@H](NC(=O)CC(=O)[O-])c2cccs2)cc1 ZINC001595009904 982937864 /nfs/dbraw/zinc/93/78/64/982937864.db2.gz LCTKDEJUZJJQPE-SGTLLEGYSA-N -1 0 331.437 3.942 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Nc2ccn(C3CCCCC3)n2)c1 ZINC001118029368 982941695 /nfs/dbraw/zinc/94/16/95/982941695.db2.gz VRTNTKNFFCKZKD-UHFFFAOYSA-N -1 0 342.399 3.659 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(C(=O)[O-])c2)c(C)n1Cc1ccco1 ZINC001118199049 982945450 /nfs/dbraw/zinc/94/54/50/982945450.db2.gz ADTVEFGYTPGHQP-UHFFFAOYSA-N -1 0 338.363 3.697 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)N[C@H](CC(=O)[O-])C(C)(C)C ZINC001595014258 982951207 /nfs/dbraw/zinc/95/12/07/982951207.db2.gz QCRXTMLNJYBAND-CZUORRHYSA-N -1 0 335.444 3.585 20 0 EHADRM C[C@]1(Cc2ccccc2Cl)CCCN1C(=O)c1ccc(C(=O)[O-])o1 ZINC001118547324 982958733 /nfs/dbraw/zinc/95/87/33/982958733.db2.gz YCDBLVBERURTHZ-GOSISDBHSA-N -1 0 347.798 3.869 20 0 EHADRM CCCN1CCN(Cc2cc(C(=O)[O-])oc2C)c2ccc(F)cc21 ZINC001595912151 983005047 /nfs/dbraw/zinc/00/50/47/983005047.db2.gz IFTMFDVSAHBXGU-UHFFFAOYSA-N -1 0 332.375 3.662 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc([C@H]3CCCOC3)c2)cc1F ZINC001119639074 983009702 /nfs/dbraw/zinc/00/97/02/983009702.db2.gz YCCDVQIDYJECDM-AWEZNQCLSA-N -1 0 343.354 3.670 20 0 EHADRM CCCOC(=O)c1ccc(NCc2ccc(C(=O)[O-])cc2F)cc1 ZINC001595940185 983091311 /nfs/dbraw/zinc/09/13/11/983091311.db2.gz PUKMULPLOALWLM-UHFFFAOYSA-N -1 0 331.343 3.703 20 0 EHADRM CCCOc1ccc(NC(=O)NC(CC)(CC)CC(=O)[O-])cc1F ZINC001595960663 983153585 /nfs/dbraw/zinc/15/35/85/983153585.db2.gz NLHDTEXLGSJZKV-UHFFFAOYSA-N -1 0 340.395 3.770 20 0 EHADRM CCCOc1ccc(NC(=O)Nc2cnc(C)c(C(=O)[O-])c2)cc1 ZINC001595961181 983156922 /nfs/dbraw/zinc/15/69/22/983156922.db2.gz UUEYLMPSODRRAG-UHFFFAOYSA-N -1 0 329.356 3.521 20 0 EHADRM CCCOc1ccc(NC(=O)N[C@H]2CCC[C@@H]2C(=O)[O-])cc1Cl ZINC001595961234 983157662 /nfs/dbraw/zinc/15/76/62/983157662.db2.gz WWNBUGHALXCZGJ-AAEUAGOBSA-N -1 0 340.807 3.504 20 0 EHADRM CCCOc1ccc(CNc2cc(COC)cc(C(=O)[O-])c2)cc1 ZINC001595961237 983157893 /nfs/dbraw/zinc/15/78/93/983157893.db2.gz WMBLGKGLQWSIKQ-UHFFFAOYSA-N -1 0 329.396 3.932 20 0 EHADRM CCCOc1ccc(Cl)cc1C(=O)OCc1ccc(C(=O)[O-])o1 ZINC001595961908 983162271 /nfs/dbraw/zinc/16/22/71/983162271.db2.gz RMYLEMTYELLLOA-UHFFFAOYSA-N -1 0 338.743 3.777 20 0 EHADRM CCCOc1cccc(C(=O)Nc2c(CC)cccc2C(=O)[O-])c1 ZINC001595967247 983177640 /nfs/dbraw/zinc/17/76/40/983177640.db2.gz HIYVTMPHAOXJCT-UHFFFAOYSA-N -1 0 327.380 3.988 20 0 EHADRM CCCOc1cccc(CC(=O)N(CC2CC2)[C@@](C)(CC)C(=O)[O-])c1 ZINC001595967417 983180878 /nfs/dbraw/zinc/18/08/78/983180878.db2.gz VMWJGSJBDPICHJ-FQEVSTJZSA-N -1 0 347.455 3.510 20 0 EHADRM CCCOc1ccccc1NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001595968633 983184480 /nfs/dbraw/zinc/18/44/80/983184480.db2.gz CYZSASKGJTZRIR-AWEZNQCLSA-N -1 0 334.416 3.584 20 0 EHADRM CCCOc1ccccc1NC(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC001595968698 983185373 /nfs/dbraw/zinc/18/53/73/983185373.db2.gz HNBSIKMUHVTTOJ-HNNXBMFYSA-N -1 0 348.443 3.878 20 0 EHADRM CCCOc1nc(C)ccc1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001595975283 983209756 /nfs/dbraw/zinc/20/97/56/983209756.db2.gz GLKLCJBXWPUMKV-UHFFFAOYSA-N -1 0 348.786 3.783 20 0 EHADRM CCC[C@@H](NC(=O)C1(Cc2cccc(F)c2)CCCCC1)C(=O)[O-] ZINC001595993141 983248843 /nfs/dbraw/zinc/24/88/43/983248843.db2.gz QKXQPDJQAKSKQG-MRXNPFEDSA-N -1 0 335.419 3.688 20 0 EHADRM CCC[C@@H]1C[C@H]1C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001596008149 983264549 /nfs/dbraw/zinc/26/45/49/983264549.db2.gz PDONYQRMYGDAEF-JHJVBQTASA-N -1 0 329.318 3.541 20 0 EHADRM CCCc1c(C(=O)NCC[C@H]2CCC(F)(F)C2)[nH]c(C)c1C(=O)[O-] ZINC001596038099 983326302 /nfs/dbraw/zinc/32/63/02/983326302.db2.gz YUJREGHUTFZKBO-LLVKDONJSA-N -1 0 342.386 3.529 20 0 EHADRM CCCc1c(C(=O)NCCc2cc(C)cc(C)c2)[nH]c(C)c1C(=O)[O-] ZINC001596038128 983326768 /nfs/dbraw/zinc/32/67/68/983326768.db2.gz ZZPLXJZHYRVNNK-UHFFFAOYSA-N -1 0 342.439 3.563 20 0 EHADRM CCCc1cc(C(=O)NCc2ccc(C(=O)[O-])cc2F)sc1C ZINC001596055458 983358858 /nfs/dbraw/zinc/35/88/58/983358858.db2.gz RWZAQWOAQOFWFT-UHFFFAOYSA-N -1 0 335.400 3.776 20 0 EHADRM CCCc1sc(C(=O)NCc2cc(C)c(C(=O)[O-])o2)cc1CC ZINC001596105431 983428977 /nfs/dbraw/zinc/42/89/77/983428977.db2.gz AHRMYLDEKXBRBA-UHFFFAOYSA-N -1 0 335.425 3.793 20 0 EHADRM CCN(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC001596137507 983486774 /nfs/dbraw/zinc/48/67/74/983486774.db2.gz LNWJCCAJGWSWAL-VXGBXAGGSA-N -1 0 343.345 3.949 20 0 EHADRM CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C(C)(C)C(=O)[O-] ZINC001596138873 983489895 /nfs/dbraw/zinc/48/98/95/983489895.db2.gz XWHQXWUZYNYHQZ-VXGBXAGGSA-N -1 0 344.238 3.809 20 0 EHADRM CCN(C(=O)CNc1ccc(C[C@H](C)C(=O)[O-])cc1)C1CCCCC1 ZINC001596145410 983500755 /nfs/dbraw/zinc/50/07/55/983500755.db2.gz JBQJJKWDSHPSRF-HNNXBMFYSA-N -1 0 346.471 3.543 20 0 EHADRM CCN(C(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1)C(C)C ZINC001596148810 983505786 /nfs/dbraw/zinc/50/57/86/983505786.db2.gz CCJQOPDKSVAZOD-CYBMUJFWSA-N -1 0 346.349 3.661 20 0 EHADRM CCN(C(=O)c1cc(C2CC2)cnc1Cl)c1ccccc1C(=O)[O-] ZINC001596164334 983526746 /nfs/dbraw/zinc/52/67/46/983526746.db2.gz MKKKHALPAIQRKO-UHFFFAOYSA-N -1 0 344.798 3.977 20 0 EHADRM CCN(C(=O)c1ccc(C(=O)[O-])o1)c1ccc(C(F)(F)F)cc1 ZINC001596167036 983531061 /nfs/dbraw/zinc/53/10/61/983531061.db2.gz CDSMFBAWIODMTP-UHFFFAOYSA-N -1 0 327.258 3.663 20 0 EHADRM CCN(C(=O)c1ccc(F)c(C(F)F)c1)c1ncc(C(=O)[O-])s1 ZINC001596167081 983531325 /nfs/dbraw/zinc/53/13/25/983531325.db2.gz GEPMKTGPLUJYTD-UHFFFAOYSA-N -1 0 344.314 3.585 20 0 EHADRM CCN([C@H](C)c1ncc(C(=O)[O-])s1)[C@H](C)c1cccc(OC)c1 ZINC001596181381 983551353 /nfs/dbraw/zinc/55/13/53/983551353.db2.gz RIEMPAXOUABVMM-VXGBXAGGSA-N -1 0 334.441 3.994 20 0 EHADRM CCN(CC(C)C)C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001596231726 983627146 /nfs/dbraw/zinc/62/71/46/983627146.db2.gz SLRILPAPGAMKEP-UHFFFAOYSA-N -1 0 347.459 3.885 20 0 EHADRM CCN(CCc1ccccc1)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001596347761 983800034 /nfs/dbraw/zinc/80/00/34/983800034.db2.gz PJQHXZFNOPZIMS-UHFFFAOYSA-N -1 0 326.396 3.790 20 0 EHADRM CCN(Cc1ccc(Cl)c(Cl)c1)c1cncc(C(=O)[O-])n1 ZINC001596359907 983837271 /nfs/dbraw/zinc/83/72/71/983837271.db2.gz TYEBSEMORUOXPC-UHFFFAOYSA-N -1 0 326.183 3.508 20 0 EHADRM COc1ccc(Cc2noc(-c3cc(Cl)ccc3[O-])n2)cc1OC ZINC000109037514 1014986737 /nfs/dbraw/zinc/98/67/37/1014986737.db2.gz ZYTQCZJDSJUUIT-UHFFFAOYSA-N -1 0 346.770 3.704 20 0 EHADRM C=C/C=C/CC(=O)N(C)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001588719621 983962183 /nfs/dbraw/zinc/96/21/83/983962183.db2.gz CCHTUMPAEBOKEZ-ISZGNANSSA-N -1 0 328.195 3.710 20 0 EHADRM CCNc1ccc(Cl)cc1C(=O)Nc1cc(C)c(C(=O)[O-])c(C)n1 ZINC001596504124 984258168 /nfs/dbraw/zinc/25/81/68/984258168.db2.gz IOGQQQFCWNBBFX-UHFFFAOYSA-N -1 0 347.802 3.734 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccnn2C2CCCCC2)cc1C ZINC000066248240 1015030473 /nfs/dbraw/zinc/03/04/73/1015030473.db2.gz PIOUEQLJZUAIGK-UHFFFAOYSA-N -1 0 333.457 3.806 20 0 EHADRM C=COc1ccc(NC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC001588914427 984558293 /nfs/dbraw/zinc/55/82/93/984558293.db2.gz WDCJVDGDSYBWFC-GUYCJALGSA-N -1 0 340.379 3.792 20 0 EHADRM C/C(=C/C(=O)N1CCCc2ccc(C(=O)[O-])cc21)c1cccs1 ZINC001588937621 984617769 /nfs/dbraw/zinc/61/77/69/984617769.db2.gz NDLCMRIMWOYFBF-BENRWUELSA-N -1 0 327.405 3.829 20 0 EHADRM C/C(=C/C(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1)c1ccc(F)cc1 ZINC001588939195 984627881 /nfs/dbraw/zinc/62/78/81/984627881.db2.gz LVRGKLHEPMKSGF-RXQFDZFGSA-N -1 0 345.345 3.619 20 0 EHADRM C/C(=C\C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1)c1cccs1 ZINC001588939247 984628027 /nfs/dbraw/zinc/62/80/27/984628027.db2.gz MEIJENPYCGUGAH-MARXPDLDSA-N -1 0 333.384 3.623 20 0 EHADRM C/C(=C/C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1)c1ccco1 ZINC001588939650 984630795 /nfs/dbraw/zinc/63/07/95/984630795.db2.gz ZKLHWOUGXHPRBX-KOTGUFOOSA-N -1 0 333.771 3.669 20 0 EHADRM C[C@H](C(=O)Nc1cccc(C(=O)[O-])c1Br)c1ccccc1 ZINC001599885472 984631152 /nfs/dbraw/zinc/63/11/52/984631152.db2.gz YWDTURPQHCINKP-JTQLQIEISA-N -1 0 348.196 3.890 20 0 EHADRM C/C(=C/C(=O)Nc1cccc(C(=O)[O-])c1N)c1cccc(Cl)c1 ZINC001588943714 984640631 /nfs/dbraw/zinc/64/06/31/984640631.db2.gz AGXBZBDAQPRTHC-NTMALXAHSA-N -1 0 330.771 3.662 20 0 EHADRM C/C(=C/C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)c1ccco1 ZINC001588944303 984646727 /nfs/dbraw/zinc/64/67/27/984646727.db2.gz VSXHFLKRUMUNFV-QBFSEMIESA-N -1 0 340.379 3.620 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1nc(C(C)(C)C)cs1 ZINC001599888207 984662149 /nfs/dbraw/zinc/66/21/49/984662149.db2.gz FGMUMFOJSUFKLY-GFCCVEGCSA-N -1 0 346.452 3.556 20 0 EHADRM C/C(=C\C1CCC(C)CC1)C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001588956525 984705234 /nfs/dbraw/zinc/70/52/34/984705234.db2.gz RYSWVBLBCJXFNB-TUTCJNEVSA-N -1 0 341.451 3.970 20 0 EHADRM C/C(=C/C(C)(C)C)C(=O)O[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001588956504 984705859 /nfs/dbraw/zinc/70/58/59/984705859.db2.gz RILFTXPUKUFAIJ-KXXVWKPMSA-N -1 0 347.411 3.556 20 0 EHADRM C/C(=C/CN1CCCN(Cc2ccccc2)c2ccccc21)C(=O)[O-] ZINC001588959048 984718249 /nfs/dbraw/zinc/71/82/49/984718249.db2.gz FJBSVLFZLBGMFX-ATVHPVEESA-N -1 0 336.435 3.934 20 0 EHADRM C[C@H](NC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1)C1CCCCCC1 ZINC001599893194 984721268 /nfs/dbraw/zinc/72/12/68/984721268.db2.gz BGRODEFRXFTLPL-VHFSOBRXSA-N -1 0 329.440 3.720 20 0 EHADRM C[C@H](NCc1cc(C(=O)[O-])co1)c1ccc(F)cc1OC(F)F ZINC001599901237 984832218 /nfs/dbraw/zinc/83/22/18/984832218.db2.gz BLJYBDCMLNAOLP-QMMMGPOBSA-N -1 0 329.274 3.569 20 0 EHADRM C[C@H]1CC[C@@](C)(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)C1(C)C ZINC001599907973 984948077 /nfs/dbraw/zinc/94/80/77/984948077.db2.gz JUSBTVBJYRPEHY-RBZFPXEDSA-N -1 0 329.440 3.732 20 0 EHADRM C/C(=C\c1ccncc1)C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001589010782 984983364 /nfs/dbraw/zinc/98/33/64/984983364.db2.gz IEJPKROKIHZKMP-ACCUITESSA-N -1 0 342.420 3.690 20 0 EHADRM C[C@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)CC[C@H]1C(=O)[O-] ZINC001599914981 985042515 /nfs/dbraw/zinc/04/25/15/985042515.db2.gz YGSDLFKZHYHRAI-LZBRWLDZSA-N -1 0 337.419 3.513 20 0 EHADRM CCOC(=O)c1oc2ccccc2c1CNc1ccc(C(=O)[O-])cc1 ZINC001596756160 985133315 /nfs/dbraw/zinc/13/33/15/985133315.db2.gz ODNBUKQDDIAAGZ-UHFFFAOYSA-N -1 0 339.347 3.920 20 0 EHADRM C[C@H]1CN(C(=S)Nc2ccc(Cl)c(Cl)c2)CC[C@H]1C(=O)[O-] ZINC001599927056 985218306 /nfs/dbraw/zinc/21/83/06/985218306.db2.gz MDLYBDBSCUACBR-WCBMZHEXSA-N -1 0 347.267 3.733 20 0 EHADRM CC(=O)N1CCCc2cc(N[C@@H](C(=O)[O-])c3ccccc3C)ccc21 ZINC001589077566 985232982 /nfs/dbraw/zinc/23/29/82/985232982.db2.gz HULREXWAAXWHDG-LJQANCHMSA-N -1 0 338.407 3.532 20 0 EHADRM C[C@H]1Cc2ccccc2N(C(=O)[C@H]2CCCc3ccccc32)[C@H]1C(=O)[O-] ZINC001599936998 985407563 /nfs/dbraw/zinc/40/75/63/985407563.db2.gz IGYIQZTZWDIGEW-ADLFWFRXSA-N -1 0 349.430 3.785 20 0 EHADRM C[C@H]1c2ccccc2CN1C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001599937018 985408622 /nfs/dbraw/zinc/40/86/22/985408622.db2.gz LTBBGYLBDCGYLX-NSHDSACASA-N -1 0 335.363 3.975 20 0 EHADRM CCO[C@H]1C[C@@H](NC(=O)Nc2cc(C(=O)[O-])ccc2C)C1(CC)CC ZINC001596822992 985423707 /nfs/dbraw/zinc/42/37/07/985423707.db2.gz OMKUEVYYEZYRKR-CVEARBPZSA-N -1 0 348.443 3.799 20 0 EHADRM C[C@]1(CN2C[C@@H](C(=O)[O-])Oc3cc(F)ccc32)C[C@@H]1c1ccccc1 ZINC001599938657 985427827 /nfs/dbraw/zinc/42/78/27/985427827.db2.gz OASFAWWGBAGULV-MOXGXCLJSA-N -1 0 341.382 3.672 20 0 EHADRM C[C@]1(CNc2ccc3cnn(CC(=O)[O-])c3c2)C[C@@H]1c1ccccc1 ZINC001599938745 985428346 /nfs/dbraw/zinc/42/83/46/985428346.db2.gz SKYQNJWLMGLGMM-YLJYHZDGSA-N -1 0 335.407 3.727 20 0 EHADRM CCO[C@@H]1C[C@H](Nc2cc(COC)cc(C(=O)[O-])c2)C12CCCC2 ZINC001596843941 985537044 /nfs/dbraw/zinc/53/70/44/985537044.db2.gz XMCZTWZFQCBMMU-DLBZAZTESA-N -1 0 333.428 3.681 20 0 EHADRM CC(=O)Nc1cc(NCc2cc(C(=O)[O-])c(C(C)C)[nH]2)ccc1C ZINC001589182216 985559109 /nfs/dbraw/zinc/55/91/09/985559109.db2.gz KTRXTIRGBVPXNC-UHFFFAOYSA-N -1 0 329.400 3.715 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)SCC2CC(F)(F)C2)c(C)c1C(=O)[O-] ZINC001599948689 985572162 /nfs/dbraw/zinc/57/21/62/985572162.db2.gz QXVQPOGCKPCJFF-VIFPVBQESA-N -1 0 331.384 3.679 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(C(=O)[O-])ccc2Cl)c2cccc(F)c2O1 ZINC001594488667 985585627 /nfs/dbraw/zinc/58/56/27/985585627.db2.gz HPXYQXHQIKEJBY-VIFPVBQESA-N -1 0 349.745 3.605 20 0 EHADRM Cc1[nH]c(C(=O)N(C)[C@H](C)CSc2ccccc2)c(C)c1C(=O)[O-] ZINC001599949893 985589891 /nfs/dbraw/zinc/58/98/91/985589891.db2.gz ZXKRAOJWIRMOCE-LLVKDONJSA-N -1 0 346.452 3.583 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(C(=O)[O-])ccc2Cl)[C@H]1c1ccccc1 ZINC001594490118 985599862 /nfs/dbraw/zinc/59/98/62/985599862.db2.gz VKGBXHOTZVFKMM-MEDUHNTESA-N -1 0 329.783 3.871 20 0 EHADRM CC(=O)Nc1ccc(Oc2cc(C(F)(F)F)c(C(=O)[O-])cn2)cc1 ZINC001589199939 985642217 /nfs/dbraw/zinc/64/22/17/985642217.db2.gz MXPRRZDDSCWBAY-UHFFFAOYSA-N -1 0 340.257 3.549 20 0 EHADRM Cc1[nH]c(C(=O)N[C@@H]2CCc3ccc(C(C)C)cc32)c(C)c1C(=O)[O-] ZINC001599953310 985646895 /nfs/dbraw/zinc/64/68/95/985646895.db2.gz SUHDLHRACBGCJV-MRXNPFEDSA-N -1 0 340.423 3.870 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1cnc(-c2ccccc2)s1 ZINC001599958101 985724426 /nfs/dbraw/zinc/72/44/26/985724426.db2.gz PQUCPLAWBHLWRJ-UHFFFAOYSA-N -1 0 341.392 3.706 20 0 EHADRM CC(=O)[C@@H]1C[C@H](CC(=O)Oc2ccc(Cl)cc2C(=O)[O-])C1(C)C ZINC001589234068 985792130 /nfs/dbraw/zinc/79/21/30/985792130.db2.gz PVKXWXAJOKBMBI-MFKMUULPSA-N -1 0 338.787 3.585 20 0 EHADRM Cc1[nH]c2c(cccc2C(=O)NCC2(CC(=O)[O-])CCCC2)c1C ZINC001599964997 985885409 /nfs/dbraw/zinc/88/54/09/985885409.db2.gz ICGAAHFAPKVVQQ-UHFFFAOYSA-N -1 0 328.412 3.550 20 0 EHADRM Cc1[nH]c2ccccc2c1C1CCN(c2cc(C(=O)[O-])ccn2)CC1 ZINC001599965616 985899451 /nfs/dbraw/zinc/89/94/51/985899451.db2.gz OPFSAXZQPRGSAO-UHFFFAOYSA-N -1 0 335.407 3.954 20 0 EHADRM CC(=O)c1ccc(Cl)c(Cl)c1OCc1ncccc1C(=O)[O-] ZINC001589283794 986014179 /nfs/dbraw/zinc/01/41/79/986014179.db2.gz JMKHGYKDICAFEB-UHFFFAOYSA-N -1 0 340.162 3.868 20 0 EHADRM Cc1c(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])cnc2ccccc12 ZINC001599974179 986061884 /nfs/dbraw/zinc/06/18/84/986061884.db2.gz BICMRRIDRKYAHO-UHFFFAOYSA-N -1 0 342.439 3.752 20 0 EHADRM CC(=O)c1oc2cc(C)ccc2c1CC(=O)O[C@H](CC(C)C)C(=O)[O-] ZINC001589323798 986150009 /nfs/dbraw/zinc/15/00/09/986150009.db2.gz NJRLHWPSUSGTII-MRXNPFEDSA-N -1 0 346.379 3.529 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)C3(C(F)F)CC3)ccc2n1C1CC1 ZINC001599985419 986220585 /nfs/dbraw/zinc/22/05/85/986220585.db2.gz OJQKBCBHCGXCTR-UHFFFAOYSA-N -1 0 349.333 3.934 20 0 EHADRM C[C@H](C(=O)N(C)c1ccccc1C(=O)[O-])c1cn(C)c2ccccc12 ZINC001589340004 986245895 /nfs/dbraw/zinc/24/58/95/986245895.db2.gz QOUSQQXBDHOIGU-ZDUSSCGKSA-N -1 0 336.391 3.643 20 0 EHADRM CCOc1cc(-c2ccccc2)sc1C(=O)N[C@@H](C)/C=C/C(=O)[O-] ZINC001596991536 986269839 /nfs/dbraw/zinc/26/98/39/986269839.db2.gz MYWBQHOHHNBBEM-VMPCVLLUSA-N -1 0 345.420 3.573 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)/C(C)=C/c1ccc(F)cc1 ZINC001597008735 986336968 /nfs/dbraw/zinc/33/69/68/986336968.db2.gz CASKQXZRBTXIDC-ZRDIBKRKSA-N -1 0 343.354 3.965 20 0 EHADRM C[C@H](C(=O)N1CCCc2ccc(C(=O)[O-])cc21)c1ccc(F)cc1F ZINC001589359435 986356937 /nfs/dbraw/zinc/35/69/37/986356937.db2.gz RZTMGZBYHBRNIG-NSHDSACASA-N -1 0 345.345 3.746 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NCCc1sccc1C ZINC001597020689 986402858 /nfs/dbraw/zinc/40/28/58/986402858.db2.gz MJILNVYFWQYNLI-UHFFFAOYSA-N -1 0 348.424 3.518 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1c(F)cc(C)cc1F ZINC001597023014 986426877 /nfs/dbraw/zinc/42/68/77/986426877.db2.gz VDOIOBVEUAIADN-UHFFFAOYSA-N -1 0 335.306 3.622 20 0 EHADRM CC(C(=O)N[C@@H](C[C@H]1CCCc2ccccc21)C(=O)[O-])=C1CCC1 ZINC001589386429 986486088 /nfs/dbraw/zinc/48/60/88/986486088.db2.gz XEDZKBPJVRRCBH-AEFFLSMTSA-N -1 0 327.424 3.566 20 0 EHADRM CCOc1cc(CNc2ccc(C(=O)[O-])nc2)ccc1OCC(C)C ZINC001597038698 986487424 /nfs/dbraw/zinc/48/74/24/986487424.db2.gz XOTPKUWBYRGCGD-UHFFFAOYSA-N -1 0 344.411 3.825 20 0 EHADRM CCOc1cc(O)ccc1NC(=O)Nc1cc(C(=O)[O-])sc1C ZINC001597045361 986508375 /nfs/dbraw/zinc/50/83/75/986508375.db2.gz YVEGBIFEUSQEQG-UHFFFAOYSA-N -1 0 336.369 3.503 20 0 EHADRM C[C@H](C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-])c1cc2ccccc2o1 ZINC001589403134 986575850 /nfs/dbraw/zinc/57/58/50/986575850.db2.gz ANJNJLKKPLDTBR-XJKSGUPXSA-N -1 0 343.423 3.934 20 0 EHADRM C[C@H]1CSc2ccccc2N(C(=O)c2ccc(C(=O)[O-])s2)C1 ZINC001594612431 986608867 /nfs/dbraw/zinc/60/88/67/986608867.db2.gz OKAKGRNLHHPKNK-SNVBAGLBSA-N -1 0 333.434 3.835 20 0 EHADRM CCOc1ccc(C[C@@H](C)C(=O)Nc2sc(C)cc2C(=O)[O-])cc1 ZINC001597085151 986648480 /nfs/dbraw/zinc/64/84/80/986648480.db2.gz OSPAPBDIOPIMSU-LLVKDONJSA-N -1 0 347.436 3.971 20 0 EHADRM C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1)c1ccccn1 ZINC001589423547 986680452 /nfs/dbraw/zinc/68/04/52/986680452.db2.gz KEISZGJPDHXGIC-LIRRHRJNSA-N -1 0 348.402 3.671 20 0 EHADRM C[C@H](C(=O)Nc1cc(-c2ccccc2)sc1C(=O)[O-])[C@H]1CCCO1 ZINC001589428197 986699534 /nfs/dbraw/zinc/69/95/34/986699534.db2.gz CLVIZWYFSCUXIE-SMDDNHRTSA-N -1 0 345.420 3.867 20 0 EHADRM CCOc1ccc(Cl)c(NC(=O)c2ccsc2C(=O)[O-])c1 ZINC001597107020 986752762 /nfs/dbraw/zinc/75/27/62/986752762.db2.gz XFAQUUAYMNUJKJ-UHFFFAOYSA-N -1 0 325.773 3.751 20 0 EHADRM C[C@H](C(=O)Nc1ccc(OCCC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001589437596 986758508 /nfs/dbraw/zinc/75/85/08/986758508.db2.gz FALMMGNLSHZCCT-LBPRGKRZSA-N -1 0 347.798 3.936 20 0 EHADRM C[C@H](C(=O)Nc1cccc2cc(C(=O)[O-])sc21)C(=O)OC(C)(C)C ZINC001589444993 986806576 /nfs/dbraw/zinc/80/65/76/986806576.db2.gz LYQXJQRUIRZVTM-SECBINFHSA-N -1 0 349.408 3.516 20 0 EHADRM CCOc1ccc(NC(=O)N[C@H](CC(=O)[O-])c2ccc(C)cc2)cc1 ZINC001597119670 986807338 /nfs/dbraw/zinc/80/73/38/986807338.db2.gz YNTGPRPWBJOQGV-QGZVFWFLSA-N -1 0 342.395 3.731 20 0 EHADRM CCOc1ccc(NC(=O)c2cc(C)c(C)s2)c(C(=O)[O-])c1F ZINC001597122890 986821451 /nfs/dbraw/zinc/82/14/51/986821451.db2.gz NEEKYEQOUMCNGV-UHFFFAOYSA-N -1 0 337.372 3.853 20 0 EHADRM CCOc1ccc(N[C@@H]2CC[C@@H](C(=O)[O-])C2)cc1Br ZINC001597123738 986826230 /nfs/dbraw/zinc/82/62/30/986826230.db2.gz QUMZQLLARJEYFS-NXEZZACHSA-N -1 0 328.206 3.513 20 0 EHADRM CCOc1cccc(CCC(=O)N[C@]2(C(=O)[O-])CCCC(C)(C)C2)c1 ZINC001597150175 986925009 /nfs/dbraw/zinc/92/50/09/986925009.db2.gz QMXPPSRJSIORHG-HXUWFJFHSA-N -1 0 347.455 3.558 20 0 EHADRM C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1c1cc(C(=O)[O-])ncn1 ZINC001594666615 986966655 /nfs/dbraw/zinc/96/66/55/986966655.db2.gz XLCUFQKUKVUHTE-MRVPVSSYSA-N -1 0 338.194 3.605 20 0 EHADRM C[C@H]1Sc2ccccc2N(C(=O)Cc2ccc(C(=O)[O-])cc2)[C@@H]1C ZINC001594666713 986967405 /nfs/dbraw/zinc/96/74/05/986967405.db2.gz ZBNKMKVMTIUAJZ-CHWSQXEVSA-N -1 0 341.432 3.843 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)c1ccc(Cl)c(C(F)(F)F)c1)C1CCC1 ZINC001589477489 986985060 /nfs/dbraw/zinc/98/50/60/986985060.db2.gz SASJFTAJROERMF-QMMMGPOBSA-N -1 0 349.736 3.827 20 0 EHADRM CCOc1cccc2cc([C@@H](C)N[C@H](C)c3nc(C(=O)[O-])co3)oc21 ZINC001597165666 986985541 /nfs/dbraw/zinc/98/55/41/986985541.db2.gz UVRMYYMZCTVINY-GHMZBOCLSA-N -1 0 344.367 3.930 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)c1ccc(-c2ccccc2F)o1)C1CCC1 ZINC001589478358 986994714 /nfs/dbraw/zinc/99/47/14/986994714.db2.gz XTVRLZALZBUYBB-LLVKDONJSA-N -1 0 331.343 3.554 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)c1cccc(Oc2ccccc2)c1)C1CCC1 ZINC001589478901 987002633 /nfs/dbraw/zinc/00/26/33/987002633.db2.gz OJCWDDBHYFWJOR-AWEZNQCLSA-N -1 0 339.391 3.947 20 0 EHADRM C/C=C(\CC)C(=O)O[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001594677076 987011281 /nfs/dbraw/zinc/01/12/81/987011281.db2.gz VKLIAKMVSBMTGB-TWXILYBASA-N -1 0 330.302 3.601 20 0 EHADRM C/C=C\C[C@@H]1CCCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC001594685178 987052410 /nfs/dbraw/zinc/05/24/10/987052410.db2.gz ANPJYDXYLCZWSJ-OTDNITJGSA-N -1 0 338.354 3.873 20 0 EHADRM CC/C(=C\C(=O)N[C@H](C(=O)[O-])c1ccccc1F)c1ccc(C)cc1 ZINC001594690664 987081768 /nfs/dbraw/zinc/08/17/68/987081768.db2.gz GWIAJDKVUICIRA-XUDAUXSOSA-N -1 0 341.382 3.870 20 0 EHADRM CCC(=CC(=O)N[C@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-])CC ZINC001594690715 987083100 /nfs/dbraw/zinc/08/31/00/987083100.db2.gz IUCPVCRWMCIQNY-FUHWJXTLSA-N -1 0 329.440 3.812 20 0 EHADRM CC/C(=C/C(=O)Oc1cccc(C(=O)[O-])c1)c1ccc(OC)cc1 ZINC001594693761 987103926 /nfs/dbraw/zinc/10/39/26/987103926.db2.gz CWAICJMZSDGRDA-SEYXRHQNSA-N -1 0 326.348 3.792 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N(C)Cc2cc(Cl)cn2C)cc1 ZINC001589503551 987109035 /nfs/dbraw/zinc/10/90/35/987109035.db2.gz FNOZUEKMCHQBBE-NSHDSACASA-N -1 0 349.818 3.531 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2Cc3ccccc3C[C@@H]2C)cc1 ZINC001589510879 987137328 /nfs/dbraw/zinc/13/73/28/987137328.db2.gz XLYWJCAUFJRJJI-KBPBESRZSA-N -1 0 338.407 3.853 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cc(-c3ccccc3)nn2C)cc1 ZINC001589512033 987145299 /nfs/dbraw/zinc/14/52/99/987145299.db2.gz NFCKQMXHBAILMH-CYBMUJFWSA-N -1 0 349.390 3.528 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NCC(C)(C)[C@H]2CCCCO2)cc1 ZINC001589512543 987151078 /nfs/dbraw/zinc/15/10/78/987151078.db2.gz LJAYOWWQNBQFHX-XJKSGUPXSA-N -1 0 348.443 3.592 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)C2)c1 ZINC001589522793 987182249 /nfs/dbraw/zinc/18/22/49/987182249.db2.gz NVNFMULBUYFAEE-MVWJERBFSA-N -1 0 329.318 3.792 20 0 EHADRM CCC(=O)c1cc(C(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)ccc1F ZINC001594717870 987196663 /nfs/dbraw/zinc/19/66/63/987196663.db2.gz LTHNSLZWNUGMJV-SECBINFHSA-N -1 0 334.299 3.628 20 0 EHADRM CCC(=O)c1cc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)ccc1F ZINC001594717785 987196818 /nfs/dbraw/zinc/19/68/18/987196818.db2.gz JZGJWLXQSKDAAU-UHFFFAOYSA-N -1 0 333.290 3.508 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001589531118 987199789 /nfs/dbraw/zinc/19/97/89/987199789.db2.gz BCERWKWZQKBQAC-CJNGLKHVSA-N -1 0 348.443 3.686 20 0 EHADRM CCC(=O)c1ccccc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001594721951 987207312 /nfs/dbraw/zinc/20/73/12/987207312.db2.gz CHZHADQCEMQKRY-UHFFFAOYSA-N -1 0 325.364 3.549 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)CCc2ccc3ccccc3n2)c1 ZINC001589532100 987210557 /nfs/dbraw/zinc/21/05/57/987210557.db2.gz AVCOECRJXWQEAU-CQSZACIVSA-N -1 0 348.402 3.994 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)Nc2cc3c(cn2)CCCC3)c1 ZINC001589533785 987228255 /nfs/dbraw/zinc/22/82/55/987228255.db2.gz SRRLJNLAOICPQC-LBPRGKRZSA-N -1 0 339.395 3.793 20 0 EHADRM C[C@H](C(=O)O[C@H](C(=O)[O-])c1ccccc1F)c1ccc(F)c(F)c1 ZINC001589538890 987232633 /nfs/dbraw/zinc/23/26/33/987232633.db2.gz AQRNCNZEGZCAAM-VFZGTOFNSA-N -1 0 338.281 3.577 20 0 EHADRM C[C@H](C(=O)O[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC001589544052 987263826 /nfs/dbraw/zinc/26/38/26/987263826.db2.gz VNPSWJZORLOMKQ-VHRBIJSZSA-N -1 0 344.329 3.996 20 0 EHADRM CC[C@@H](C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1)c1c(C)noc1C ZINC001594735689 987271379 /nfs/dbraw/zinc/27/13/79/987271379.db2.gz QEWBUQHHQDURIX-GFCCVEGCSA-N -1 0 341.367 3.603 20 0 EHADRM CCSCc1ccccc1C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001597264854 987292087 /nfs/dbraw/zinc/29/20/87/987292087.db2.gz ABFSNPOAEZZSSF-UHFFFAOYSA-N -1 0 335.469 3.847 20 0 EHADRM CCSCc1cccc(NC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)c1 ZINC001597264892 987292861 /nfs/dbraw/zinc/29/28/61/987292861.db2.gz BXBLUUWKUJVBQL-CQSZACIVSA-N -1 0 338.473 3.951 20 0 EHADRM CCSc1ccccc1C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001597279063 987339265 /nfs/dbraw/zinc/33/92/65/987339265.db2.gz BDJWTSVJXMDSFW-OAHLLOKOSA-N -1 0 347.411 3.536 20 0 EHADRM CCSc1cccnc1C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC001597279394 987341135 /nfs/dbraw/zinc/34/11/35/987341135.db2.gz GPJLSVHBLWOEEN-UHFFFAOYSA-N -1 0 330.409 3.761 20 0 EHADRM CCSc1cccnc1C(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC001597280147 987350479 /nfs/dbraw/zinc/35/04/79/987350479.db2.gz RIZYYEPRMLMTPC-UHFFFAOYSA-N -1 0 349.433 3.590 20 0 EHADRM CCSc1cccnc1-c1noc(-c2cc(C(=O)[O-])oc2C)n1 ZINC001597280278 987352407 /nfs/dbraw/zinc/35/24/07/987352407.db2.gz XTUYLUGMOFKEDS-UHFFFAOYSA-N -1 0 331.353 3.510 20 0 EHADRM CC(C)(C(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccc(F)cc1F ZINC001589576493 987355599 /nfs/dbraw/zinc/35/55/99/987355599.db2.gz OWNPCFQLQVCWLD-UHFFFAOYSA-N -1 0 337.297 3.718 20 0 EHADRM CC[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccccc1F ZINC001597286157 987366342 /nfs/dbraw/zinc/36/63/42/987366342.db2.gz NPSXSGZJASLWEV-CQSZACIVSA-N -1 0 334.322 3.936 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(OCCC(=O)[O-])cc1)c1ccccc1 ZINC001597288640 987371704 /nfs/dbraw/zinc/37/17/04/987371704.db2.gz KSGQTSMUBFLXOS-QGZVFWFLSA-N -1 0 342.395 3.813 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)N[C@H]1CCCC2(CC2)C1)c1ccccc1 ZINC001589594739 987412384 /nfs/dbraw/zinc/41/23/84/987412384.db2.gz RJOJJQOXZGYPBU-HOTGVXAUSA-N -1 0 344.455 3.861 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1ccc2c(c1)CCC2)c1ccccc1 ZINC001589598532 987418680 /nfs/dbraw/zinc/41/86/80/987418680.db2.gz JIVQPIJAEFALMV-SFHVURJKSA-N -1 0 337.419 3.757 20 0 EHADRM CC[C@H](NC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1)c1ccccc1 ZINC001597334166 987467986 /nfs/dbraw/zinc/46/79/86/987467986.db2.gz GEXANMFFQWMEEE-INIZCTEOSA-N -1 0 330.384 3.579 20 0 EHADRM CCc1[nH]c(C(=O)N2c3ccccc3C(C)(C)[C@@H]2C)c(C)c1C(=O)[O-] ZINC001597361580 987521118 /nfs/dbraw/zinc/52/11/18/987521118.db2.gz JQLOHGFHPHUFQF-LBPRGKRZSA-N -1 0 340.423 3.910 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)CCc2cccnc2Cl)cc1 ZINC001589633766 987546860 /nfs/dbraw/zinc/54/68/60/987546860.db2.gz AJTKYEFOXOFBOJ-UHFFFAOYSA-N -1 0 346.814 3.669 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)[C@]2(C)CCc3ccccc32)c1 ZINC001589644011 987576389 /nfs/dbraw/zinc/57/63/89/987576389.db2.gz KLHIVXSVQGCVAC-OAQYLSRUSA-N -1 0 338.403 3.858 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(NC(=O)[C@H]2CCCC[C@H]2C2CC2)n1 ZINC001589648912 987583792 /nfs/dbraw/zinc/58/37/92/987583792.db2.gz FGPICDQSZHUKHW-RYUDHWBXSA-N -1 0 336.457 3.660 20 0 EHADRM CCc1[nH]c(CN2CC3(CCC3)c3c2cccc3F)cc1C(=O)[O-] ZINC001597384714 987590500 /nfs/dbraw/zinc/59/05/00/987590500.db2.gz ONTQMKTWAPISIC-UHFFFAOYSA-N -1 0 328.387 3.856 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)Cc2coc3ccccc23)c1 ZINC001589649829 987594506 /nfs/dbraw/zinc/59/45/06/987594506.db2.gz BHPGCWJMHLWXIC-UHFFFAOYSA-N -1 0 338.359 3.943 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)/C=C/COc2ccccc2)c1 ZINC001589651370 987603445 /nfs/dbraw/zinc/60/34/45/987603445.db2.gz ZFCGQHLDGCGAFF-KPKJPENVSA-N -1 0 340.375 3.589 20 0 EHADRM CCc1[nH]nc(NCc2ccc(-c3ccc(C(=O)[O-])cc3)o2)c1C ZINC001597399324 987656523 /nfs/dbraw/zinc/65/65/23/987656523.db2.gz FHBJYVTZHPOXPZ-UHFFFAOYSA-N -1 0 325.368 3.851 20 0 EHADRM CCc1c(C(=O)Nc2cc(C(=O)[O-])ccc2C)cnn1CCC(C)C ZINC001597411688 987701598 /nfs/dbraw/zinc/70/15/98/987701598.db2.gz KGYCXTVPSXYKCS-UHFFFAOYSA-N -1 0 343.427 3.751 20 0 EHADRM CC(C)(C(=O)OC1CC(CC(=O)[O-])C1)c1ccc2ccccc2c1 ZINC001589680541 987703788 /nfs/dbraw/zinc/70/37/88/987703788.db2.gz FDJRUTLKJHUMNL-UHFFFAOYSA-N -1 0 326.392 3.914 20 0 EHADRM CCc1c(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)cnn1CC ZINC001597413117 987709315 /nfs/dbraw/zinc/70/93/15/987709315.db2.gz VMBRVKVLOJRSDZ-UHFFFAOYSA-N -1 0 343.408 3.631 20 0 EHADRM CCc1cc(C(=O)N2CCCc3ccc(C(=O)[O-])cc32)cc(Cl)n1 ZINC001597427474 987757690 /nfs/dbraw/zinc/75/76/90/987757690.db2.gz FVWARVBLFIVHQX-UHFFFAOYSA-N -1 0 344.798 3.589 20 0 EHADRM CCc1cc(C(=O)N[C@H](C(=O)[O-])C(C)C)sc1-c1ccccc1 ZINC001597427512 987758683 /nfs/dbraw/zinc/75/86/83/987758683.db2.gz IDPMICJSMKNAIW-HNNXBMFYSA-N -1 0 331.437 3.817 20 0 EHADRM CC(C)(C)C(=O)c1ccsc1NC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001589698321 987779686 /nfs/dbraw/zinc/77/96/86/987779686.db2.gz AOOIIRVLFDVMIK-UHFFFAOYSA-N -1 0 345.420 3.856 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)CCSc1cccc(Cl)c1 ZINC001589701074 987795505 /nfs/dbraw/zinc/79/55/05/987795505.db2.gz UDOONAGMZYILEO-ZDUSSCGKSA-N -1 0 343.876 3.828 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)CC/C=C\c2ccccc2)c1 ZINC000254984320 1015337893 /nfs/dbraw/zinc/33/78/93/1015337893.db2.gz MNBSEAZQXZXKRH-POHAHGRESA-N -1 0 343.448 3.602 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)OCc1ccc(C)cc1 ZINC001597449781 987835500 /nfs/dbraw/zinc/83/55/00/987835500.db2.gz KTKOZTPKFCEVDM-CQSZACIVSA-N -1 0 341.407 3.799 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N(C)[C@H](CC)c1ccncc1 ZINC001597451815 987843735 /nfs/dbraw/zinc/84/37/35/987843735.db2.gz ILEIRCKPTNJVPU-QGZVFWFLSA-N -1 0 341.411 3.957 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)COc1ccccc1Cl ZINC001597452627 987849535 /nfs/dbraw/zinc/84/95/35/987849535.db2.gz UNVAGZVEBPYTDF-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)Cc1cncc2ccccc21 ZINC001597452591 987849737 /nfs/dbraw/zinc/84/97/37/987849737.db2.gz SPZAQLUFZUERED-UHFFFAOYSA-N -1 0 334.375 3.677 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)COC[C@H](C)c1ccccc1 ZINC001597452665 987850623 /nfs/dbraw/zinc/85/06/23/987850623.db2.gz VMTDKIAILHOSLR-AWEZNQCLSA-N -1 0 341.407 3.706 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)CC1(CSc2ccccc2)CC1)C(=O)[O-] ZINC001589712926 987851225 /nfs/dbraw/zinc/85/12/25/987851225.db2.gz SMTBADUZQAWRSF-HNNXBMFYSA-N -1 0 335.469 3.565 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@H]1C ZINC001597454067 987859378 /nfs/dbraw/zinc/85/93/78/987859378.db2.gz XZFAQFQAVLNPBE-BXKDBHETSA-N -1 0 344.333 3.752 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H](C)C1CCC(F)CC1 ZINC001597456853 987866497 /nfs/dbraw/zinc/86/64/97/987866497.db2.gz MUIVFVJJRFSQJC-ZOODHJKOSA-N -1 0 336.407 3.986 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1cccc(CC(=O)[O-])c1)c1cccc(F)c1 ZINC001589718598 987876769 /nfs/dbraw/zinc/87/67/69/987876769.db2.gz VOQILYGGBZOALD-GOSISDBHSA-N -1 0 343.398 3.970 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCc1ccc(C)c(OC)c1 ZINC001597458104 987880817 /nfs/dbraw/zinc/88/08/17/987880817.db2.gz CLEXNDBECNZEKX-UHFFFAOYSA-N -1 0 342.395 3.586 20 0 EHADRM CS[C@@H](C)CC(=O)Nc1ccc(Br)c(C(=O)[O-])c1C ZINC001599785160 987908222 /nfs/dbraw/zinc/90/82/22/987908222.db2.gz YZLBHMQRMYNEEY-ZETCQYMHSA-N -1 0 346.246 3.536 20 0 EHADRM CS[C@@H]1CC[C@@H](N(C)C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC001599787782 987953372 /nfs/dbraw/zinc/95/33/72/987953372.db2.gz HWWDVPKNYTUSNR-GHMZBOCLSA-N -1 0 342.848 3.786 20 0 EHADRM CC(C)(C)[C@@H]1CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC001589733301 987975055 /nfs/dbraw/zinc/97/50/55/987975055.db2.gz ZECLIOJRHWPJGZ-VNQPRFMTSA-N -1 0 330.428 3.775 20 0 EHADRM CCc1ccc(-c2cc(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)no2)cc1 ZINC001597489165 988007857 /nfs/dbraw/zinc/00/78/57/988007857.db2.gz AZXZBSXXYBRZTF-INIZCTEOSA-N -1 0 344.411 3.523 20 0 EHADRM CCc1ccc(-c2cc(C(=O)N[C@@H](C[C@H](C)CC)C(=O)[O-])no2)cc1 ZINC001597489976 988015212 /nfs/dbraw/zinc/01/52/12/988015212.db2.gz WTAQJRQMKOOTQW-WBMJQRKESA-N -1 0 344.411 3.523 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)/C=C\c1csc(C(F)(F)F)c1)C(=O)[O-] ZINC001589743578 988029102 /nfs/dbraw/zinc/02/91/02/988029102.db2.gz RMKULGGFDPFREB-LWTINBJPSA-N -1 0 349.374 3.786 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)/C=C/c1csc(C(F)(F)F)c1)C(=O)[O-] ZINC001589743581 988029855 /nfs/dbraw/zinc/02/98/55/988029855.db2.gz RMKULGGFDPFREB-YEZKRMTDSA-N -1 0 349.374 3.786 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)CCCc1ccc(C2CC2)cc1)C(=O)[O-] ZINC001589743673 988030605 /nfs/dbraw/zinc/03/06/05/988030605.db2.gz VFPPHFJFUQJGQX-KRWDZBQOSA-N -1 0 331.456 3.892 20 0 EHADRM CC(C)(C)C[C@@H](NC(=S)NCCCC(=O)[O-])c1ccc(F)cc1 ZINC001589752249 988061759 /nfs/dbraw/zinc/06/17/59/988061759.db2.gz SHKGRTXKUDZXOE-CQSZACIVSA-N -1 0 340.464 3.632 20 0 EHADRM CCc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2Br)cc1 ZINC001597503781 988073753 /nfs/dbraw/zinc/07/37/53/988073753.db2.gz YFHXGFUGZHQKHP-UHFFFAOYSA-N -1 0 348.196 3.962 20 0 EHADRM CSCCCCCCC(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1 ZINC001599797457 988120315 /nfs/dbraw/zinc/12/03/15/988120315.db2.gz MPBNEJVOHOCOGG-UHFFFAOYSA-N -1 0 342.486 3.971 20 0 EHADRM CSCC[C@@H](OC(=O)c1ccc(SC(C)C)cc1)C(=O)[O-] ZINC001599798229 988132748 /nfs/dbraw/zinc/13/27/48/988132748.db2.gz JZVPAJLMUKVQDT-CYBMUJFWSA-N -1 0 328.455 3.550 20 0 EHADRM CCc1ccc([C@H]2CN([C@@H](C)c3ncc(C(=O)[O-])s3)CCO2)cc1 ZINC001597519783 988141002 /nfs/dbraw/zinc/14/10/02/988141002.db2.gz AVVBHLVFVGFAGR-SWLSCSKDSA-N -1 0 346.452 3.538 20 0 EHADRM CSCCCCNC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001599799055 988145329 /nfs/dbraw/zinc/14/53/29/988145329.db2.gz LHKCLLMYDIJMMN-UHFFFAOYSA-N -1 0 332.425 3.803 20 0 EHADRM CC(C)(C)CN(CC(=O)OC(C)(C)C)Cc1ccccc1CC(=O)[O-] ZINC001589779925 988145910 /nfs/dbraw/zinc/14/59/10/988145910.db2.gz BNIJCOKBXDKEPO-UHFFFAOYSA-N -1 0 349.471 3.504 20 0 EHADRM CCc1ccc(CCC(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1 ZINC001597523355 988159368 /nfs/dbraw/zinc/15/93/68/988159368.db2.gz ODKYXQZCXRPPFL-HXUWFJFHSA-N -1 0 339.435 3.741 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001597530699 988186687 /nfs/dbraw/zinc/18/66/87/988186687.db2.gz KDSMFOBTCNANMF-GXFFZTMASA-N -1 0 338.835 3.792 20 0 EHADRM CCc1ccc(NC(=O)/C=C\c2ccc(Cl)nc2)c(C(=O)[O-])c1 ZINC001597542624 988232101 /nfs/dbraw/zinc/23/21/01/988232101.db2.gz FDRCGIURTWEYMH-YVMONPNESA-N -1 0 330.771 3.648 20 0 EHADRM CCc1ccc(NC(=O)CSCc2ccccc2C(=O)[O-])cc1 ZINC001597544690 988244660 /nfs/dbraw/zinc/24/46/60/988244660.db2.gz KKYFIVHANPGPRI-UHFFFAOYSA-N -1 0 329.421 3.819 20 0 EHADRM CCc1ccc(NC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])nc1 ZINC001597546934 988254442 /nfs/dbraw/zinc/25/44/42/988254442.db2.gz MSAVTEYUQZAODD-INIZCTEOSA-N -1 0 341.411 3.618 20 0 EHADRM CSc1c(F)cc(NC(=O)c2cccc(CC(=O)[O-])c2)cc1F ZINC001599806185 988259098 /nfs/dbraw/zinc/25/90/98/988259098.db2.gz PHCOEFIRUFGGTB-UHFFFAOYSA-N -1 0 337.347 3.566 20 0 EHADRM CSc1cc(C(=O)N[C@H](CC(=O)[O-])c2cccc(C)c2)ccc1F ZINC001599806612 988266666 /nfs/dbraw/zinc/26/66/66/988266666.db2.gz LTJRHIJFXAXCQT-OAHLLOKOSA-N -1 0 347.411 3.802 20 0 EHADRM CSc1cc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)co1 ZINC001599806778 988268635 /nfs/dbraw/zinc/26/86/35/988268635.db2.gz RWRGLUPQWVRUDL-LBPRGKRZSA-N -1 0 339.800 3.601 20 0 EHADRM CSc1cc(C)ccc1NC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001599807151 988273691 /nfs/dbraw/zinc/27/36/91/988273691.db2.gz KJVXIMOFKHSPCU-UHFFFAOYSA-N -1 0 336.438 3.798 20 0 EHADRM CC(C)(C)NC(=O)CCSCc1cccc(C(=O)[O-])c1Cl ZINC001589824801 988291449 /nfs/dbraw/zinc/29/14/49/988291449.db2.gz NSJCNTMQOJZNIJ-UHFFFAOYSA-N -1 0 329.849 3.576 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)NCc1ccc(C(=O)[O-])o1 ZINC001599808471 988294427 /nfs/dbraw/zinc/29/44/27/988294427.db2.gz HGENSTGJEOHZRJ-UHFFFAOYSA-N -1 0 340.788 3.675 20 0 EHADRM CSc1cc(C)c(C(=O)NC[C@H](C(=O)[O-])C2CCCCCC2)o1 ZINC001599808594 988296653 /nfs/dbraw/zinc/29/66/53/988296653.db2.gz MVISEKDTEUDRFL-ZDUSSCGKSA-N -1 0 339.457 3.711 20 0 EHADRM CCc1ccc(S(=O)(=O)Cc2c(Cl)cccc2C(=O)[O-])cc1 ZINC001597558069 988300624 /nfs/dbraw/zinc/30/06/24/988300624.db2.gz ZFHOMXUDXBDQHC-UHFFFAOYSA-N -1 0 338.812 3.575 20 0 EHADRM CSc1ccc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2O)cc1 ZINC001599810208 988320830 /nfs/dbraw/zinc/32/08/30/988320830.db2.gz KVBJYDHTBUBRGD-UHFFFAOYSA-N -1 0 337.784 3.718 20 0 EHADRM CCc1ccc2ccccc2c1CNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001597568284 988322291 /nfs/dbraw/zinc/32/22/91/988322291.db2.gz DPEQFJNMJVMGSJ-IAGOWNOFSA-N -1 0 339.435 3.909 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)/C=C(\C)c2ccco2)cc1 ZINC001599810955 988333588 /nfs/dbraw/zinc/33/35/88/988333588.db2.gz KCPADOIYCZHHQF-HBIYDYFMSA-N -1 0 345.420 3.737 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)COc1ccc(Cl)cc1 ZINC001597572918 988355688 /nfs/dbraw/zinc/35/56/88/988355688.db2.gz OXJVIPOHXUPHMM-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)Cc1ccccc1OC(C)C ZINC001597573702 988358261 /nfs/dbraw/zinc/35/82/61/988358261.db2.gz UMZYNCTYERKOHQ-UHFFFAOYSA-N -1 0 341.407 3.916 20 0 EHADRM CSc1ccc(C=Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc1 ZINC001599812901 988368797 /nfs/dbraw/zinc/36/87/97/988368797.db2.gz REWJCPKYNWEFQP-RUDMXATFSA-N -1 0 338.388 3.926 20 0 EHADRM CSc1ccc(C)c(C(=O)Oc2ccc(CC(=O)[O-])cc2F)c1 ZINC001599813525 988380041 /nfs/dbraw/zinc/38/00/41/988380041.db2.gz XACJRQWXPUSORP-UHFFFAOYSA-N -1 0 334.368 3.702 20 0 EHADRM CCc1cccc(F)c1CN1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC001597592593 988420120 /nfs/dbraw/zinc/42/01/20/988420120.db2.gz IJRBNTUYXRVWLZ-UHFFFAOYSA-N -1 0 343.398 3.653 20 0 EHADRM CSc1ccc(NC(=O)N2CCc3ccc(F)cc32)cc1C(=O)[O-] ZINC001599817380 988450028 /nfs/dbraw/zinc/45/00/28/988450028.db2.gz FZQOJXRMFAXXDD-UHFFFAOYSA-N -1 0 346.383 3.840 20 0 EHADRM CSc1ccc(NC(=O)c2cccc3c2ccn3C)cc1C(=O)[O-] ZINC001599817535 988452155 /nfs/dbraw/zinc/45/21/55/988452155.db2.gz MVHPQABJHGOZEE-UHFFFAOYSA-N -1 0 340.404 3.851 20 0 EHADRM CSc1ccc(NC(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)cc1Cl ZINC001599818045 988462446 /nfs/dbraw/zinc/46/24/46/988462446.db2.gz MANYTVSYBZJQTP-NXEZZACHSA-N -1 0 342.848 3.636 20 0 EHADRM CCc1cccc2c1OCC[C@@H]2NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001597603345 988465035 /nfs/dbraw/zinc/46/50/35/988465035.db2.gz WHNWMWSELXUENY-INIZCTEOSA-N -1 0 345.439 3.614 20 0 EHADRM CCc1ccccc1C(=O)N[C@]1(C(=O)[O-])CC[C@H](C)c2ccccc21 ZINC001597604612 988482969 /nfs/dbraw/zinc/48/29/69/988482969.db2.gz RFOXCPYQHDBCTN-LHSJRXKWSA-N -1 0 337.419 3.856 20 0 EHADRM CSc1ccc(NC(=O)NCc2ccc(F)cc2)cc1C(=O)[O-] ZINC001599819446 988486100 /nfs/dbraw/zinc/48/61/00/988486100.db2.gz XGYUTXFNXSDIBA-UHFFFAOYSA-N -1 0 334.372 3.568 20 0 EHADRM CCc1ccccc1OCC(=O)Nc1cccc(C(=O)[O-])c1Cl ZINC001597616139 988536188 /nfs/dbraw/zinc/53/61/88/988536188.db2.gz GFYZPQCBAJIRLB-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM CCc1cccnc1C(=O)OCc1c2ccccc2sc1C(=O)[O-] ZINC001597622356 988559887 /nfs/dbraw/zinc/55/98/87/988559887.db2.gz SEGBLDDTJQQWOE-UHFFFAOYSA-N -1 0 341.388 3.914 20 0 EHADRM CSc1cccc(C)c1NC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001599823978 988563764 /nfs/dbraw/zinc/56/37/64/988563764.db2.gz MQNUHSSRXLMLOS-UHFFFAOYSA-N -1 0 348.424 3.980 20 0 EHADRM CC(C)(C)OC(=O)CSCc1ccc(C(=O)[O-])c2cccnc12 ZINC001589901188 988607672 /nfs/dbraw/zinc/60/76/72/988607672.db2.gz IJYZUOVFGZURDP-UHFFFAOYSA-N -1 0 333.409 3.508 20 0 EHADRM CCc1nc(CN[C@@H](C(=O)[O-])c2cccc3ccccc32)cs1 ZINC001597669919 988762212 /nfs/dbraw/zinc/76/22/12/988762212.db2.gz MIZOEIGTVYLSHQ-QGZVFWFLSA-N -1 0 326.421 3.774 20 0 EHADRM C[C@@H](NC(=O)N1CCC(CC(=O)[O-])CC1)c1ccc2c(c1)CCCC2 ZINC001599838829 988788917 /nfs/dbraw/zinc/78/89/17/988788917.db2.gz ZBGUIYHERRUESZ-CQSZACIVSA-N -1 0 344.455 3.523 20 0 EHADRM CCc1nc(NC(=O)C[C@H]2CCc3ccccc3C2)sc1C(=O)[O-] ZINC001597678281 988795972 /nfs/dbraw/zinc/79/59/72/988795972.db2.gz MAZRSPQBGFONCS-NSHDSACASA-N -1 0 344.436 3.537 20 0 EHADRM CCc1nc(NC(=O)c2nsc3ccc(C)cc32)sc1C(=O)[O-] ZINC001597685629 988839458 /nfs/dbraw/zinc/83/94/58/988839458.db2.gz VHBYKRJKQHGQFQ-UHFFFAOYSA-N -1 0 347.421 3.574 20 0 EHADRM C[C@@H](NCc1cncc(C(=O)[O-])c1)c1ccc(Cl)cc1Cl ZINC001599841953 988855137 /nfs/dbraw/zinc/85/51/37/988855137.db2.gz SOBVHOJRJOCNQE-SECBINFHSA-N -1 0 325.195 3.937 20 0 EHADRM CCc1nc2c(s1)[C@@H](N[C@H](C)c1ncc(C(=O)[O-])s1)CCC2 ZINC001597690601 988871950 /nfs/dbraw/zinc/87/19/50/988871950.db2.gz JAUMZMPCYUZMOD-BDAKNGLRSA-N -1 0 337.470 3.588 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2c(F)cccc2Cl)no1 ZINC000153495046 1125504595 /nfs/dbraw/zinc/50/45/95/1125504595.db2.gz CNKPQAWZTGJSPT-UHFFFAOYSA-N -1 0 332.784 3.565 20 0 EHADRM CCc1oc(CNc2ccc3c(c2)nc(C2CC2)n3C)cc1C(=O)[O-] ZINC001597805144 989410842 /nfs/dbraw/zinc/41/08/42/989410842.db2.gz UDEFFZFVYXXONO-UHFFFAOYSA-N -1 0 339.395 3.916 20 0 EHADRM O=S(=O)([N-]c1cnc2ccccc2c1)c1cc(Cl)ccc1F ZINC000064623289 1015492207 /nfs/dbraw/zinc/49/22/07/1015492207.db2.gz NCYPDSAVYUQFQH-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(F)cc(Cl)c2[O-])CC2(CCCCC2)O1 ZINC000655382930 1015489843 /nfs/dbraw/zinc/48/98/43/1015489843.db2.gz KLEWLDXYYCLBCJ-LLVKDONJSA-N -1 0 341.810 3.749 20 0 EHADRM CCn1c(=O)c2ccccc2nc1S[C@H](C)c1ccc(C(=O)[O-])o1 ZINC001597861671 989638530 /nfs/dbraw/zinc/63/85/30/989638530.db2.gz CTZSELOCCMIUDO-SNVBAGLBSA-N -1 0 344.392 3.561 20 0 EHADRM CCn1c(SCC2(CC(=O)[O-])CC2)nnc1-c1cccc(C)c1 ZINC001597864447 989647923 /nfs/dbraw/zinc/64/79/23/989647923.db2.gz HRRKIKKWPHJMBL-UHFFFAOYSA-N -1 0 331.441 3.620 20 0 EHADRM CC(C)(C)OC(=O)Nc1cccc2c1N(CC1(CC(=O)[O-])CC1)CC2 ZINC001590318716 989749374 /nfs/dbraw/zinc/74/93/74/989749374.db2.gz IUYWINFFPACUQS-UHFFFAOYSA-N -1 0 346.427 3.651 20 0 EHADRM CC(C)(C)OC(=O)Nc1cccc2c1C[N@H+](CCCCC(=O)[O-])CC2 ZINC001590319180 989752837 /nfs/dbraw/zinc/75/28/37/989752837.db2.gz VBXBGKZLIBHPPE-UHFFFAOYSA-N -1 0 348.443 3.647 20 0 EHADRM CCn1ccnc1SCc1cc(Br)ccc1C(=O)[O-] ZINC001597916120 989828379 /nfs/dbraw/zinc/82/83/79/989828379.db2.gz BIIAPAONKBIFFL-UHFFFAOYSA-N -1 0 341.230 3.656 20 0 EHADRM CC(C)(C)OC(=O)n1cc(-c2nc(C3CC3)cs2)cc1C(=O)[O-] ZINC001590369446 989855014 /nfs/dbraw/zinc/85/50/14/989855014.db2.gz KXVGGQOTALUZFE-UHFFFAOYSA-N -1 0 334.397 3.970 20 0 EHADRM CCn1nc(C(C)C)cc1C(=O)O[C@@H](C)c1ccc(C(=O)[O-])cc1 ZINC001597927801 989878241 /nfs/dbraw/zinc/87/82/41/989878241.db2.gz FDYSXQGQFGEKJH-LBPRGKRZSA-N -1 0 330.384 3.643 20 0 EHADRM CC(C)(C)Oc1cccc(COC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC001590419845 989961975 /nfs/dbraw/zinc/96/19/75/989961975.db2.gz JBFVIRNIDIMSGU-GJZGRUSLSA-N -1 0 334.412 3.798 20 0 EHADRM CC(C)(C)Sc1cc(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)ccn1 ZINC001590430000 989990445 /nfs/dbraw/zinc/99/04/45/989990445.db2.gz VUMZHSOXOXONLE-LBPRGKRZSA-N -1 0 338.473 3.591 20 0 EHADRM CC(C)(C)c1cc2cccnc2c(NC(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC001590461547 990029826 /nfs/dbraw/zinc/02/98/26/990029826.db2.gz BLJMPVMMVZWRKF-UHFFFAOYSA-N -1 0 349.390 3.878 20 0 EHADRM CC(C)(C)c1ccc(C2(CNC(=O)[C@H]3CC[C@H]3C(=O)[O-])CCC2)cc1 ZINC001590479904 990058347 /nfs/dbraw/zinc/05/83/47/990058347.db2.gz LXBQAENUHNHRNJ-DLBZAZTESA-N -1 0 343.467 3.633 20 0 EHADRM CC(C)(C)c1nc(C(=O)N2CCCc3ccc(C(=O)[O-])cc32)cs1 ZINC001590537047 990150555 /nfs/dbraw/zinc/15/05/55/990150555.db2.gz OAOSSWMVZMMCOR-UHFFFAOYSA-N -1 0 344.436 3.732 20 0 EHADRM CN(C(=O)CSc1cc(Cl)ccc1C(=O)[O-])C1CCCCC1 ZINC001598033393 990255225 /nfs/dbraw/zinc/25/52/25/990255225.db2.gz OHUABUQQPITCOI-UHFFFAOYSA-N -1 0 341.860 3.921 20 0 EHADRM CN(C(=O)Cc1ccc(C(=O)[O-])nc1)c1ccccc1-c1ccccc1 ZINC001598034047 990257644 /nfs/dbraw/zinc/25/76/44/990257644.db2.gz AGLNZAQSHWWDNU-UHFFFAOYSA-N -1 0 346.386 3.652 20 0 EHADRM CN(C(=O)Cc1ccccc1C(=O)[O-])[C@H]1CCC[C@H]1c1ccccc1 ZINC001598036410 990262822 /nfs/dbraw/zinc/26/28/22/990262822.db2.gz HZRHMDWWYCBJIP-HKUYNNGSSA-N -1 0 337.419 3.722 20 0 EHADRM CN(C(=O)Cc1coc2cc(Cl)ccc12)c1ccccc1C(=O)[O-] ZINC001598040613 990270478 /nfs/dbraw/zinc/27/04/78/990270478.db2.gz TUWFWVMDQQFVOC-UHFFFAOYSA-N -1 0 343.766 3.990 20 0 EHADRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C[C@@H]1CCCCC1(C)C ZINC000154558279 1015551838 /nfs/dbraw/zinc/55/18/38/1015551838.db2.gz WGRZDKMPECDNBB-LBPRGKRZSA-N -1 0 347.484 3.550 20 0 EHADRM CC(C)(CC(=O)N1CCCc2c(C(=O)[O-])cccc21)CC(F)F ZINC001590617066 990296324 /nfs/dbraw/zinc/29/63/24/990296324.db2.gz YOEDPMWYZGCLPQ-UHFFFAOYSA-N -1 0 325.355 3.736 20 0 EHADRM CN(C(=O)Nc1cccc(OCC(=O)[O-])c1)[C@H]1CCC[C@H]1C(C)(C)C ZINC001598061855 990335846 /nfs/dbraw/zinc/33/58/46/990335846.db2.gz OMGWXECSMMJALW-CVEARBPZSA-N -1 0 348.443 3.829 20 0 EHADRM CC(C)(CC1CCCCCC1)NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001590654225 990346182 /nfs/dbraw/zinc/34/61/82/990346182.db2.gz MBZFBIVGVMDFNM-JKSUJKDBSA-N -1 0 339.476 3.654 20 0 EHADRM CN(C(=O)c1ccc(F)c(C(F)F)c1)C1(C(=O)[O-])CCCCC1 ZINC001598085582 990414800 /nfs/dbraw/zinc/41/48/00/990414800.db2.gz LHDIBVCDQSREKO-UHFFFAOYSA-N -1 0 329.318 3.623 20 0 EHADRM CC(C)(CSCCCc1nc(-c2cccs2)no1)C(=O)[O-] ZINC001590819970 990652429 /nfs/dbraw/zinc/65/24/29/990652429.db2.gz CIYLHVCIZXMLGQ-UHFFFAOYSA-N -1 0 326.443 3.575 20 0 EHADRM CC(C)(Cc1ccc(Cl)cc1Cl)Nc1cncc(C(=O)[O-])n1 ZINC001590821980 990661457 /nfs/dbraw/zinc/66/14/57/990661457.db2.gz NKMFHURWVALVQG-UHFFFAOYSA-N -1 0 340.210 3.915 20 0 EHADRM CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)OCCCC(=O)[O-] ZINC001590822072 990662647 /nfs/dbraw/zinc/66/26/47/990662647.db2.gz SEQLSLVIJJBMPY-UHFFFAOYSA-N -1 0 332.318 3.682 20 0 EHADRM CC(C)(NC(=O)Nc1cccc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC001590855851 990742593 /nfs/dbraw/zinc/74/25/93/990742593.db2.gz NFJVTMYJBAXBCA-UHFFFAOYSA-N -1 0 334.322 3.720 20 0 EHADRM CC(C)(c1noc(C23CC(C(=O)[O-])(C2)C3)n1)c1ccccc1Cl ZINC001590908167 990875264 /nfs/dbraw/zinc/87/52/64/990875264.db2.gz DPCFWFBBDBHELQ-UHFFFAOYSA-N -1 0 332.787 3.555 20 0 EHADRM CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001590921860 990914214 /nfs/dbraw/zinc/91/42/14/990914214.db2.gz YUOXELAQDIXNOP-UHFFFAOYSA-N -1 0 346.814 3.975 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)N(CC(C)C)C(C)(C)C(=O)[O-])c1 ZINC001590924247 990921005 /nfs/dbraw/zinc/92/10/05/990921005.db2.gz GDWJZTRWXVUUGR-UHFFFAOYSA-N -1 0 347.455 3.993 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)N[C@H](CC(C)(C)C)C(=O)[O-])c1 ZINC001590924208 990921104 /nfs/dbraw/zinc/92/11/04/990921104.db2.gz BUWACDZHWRWNTG-MRXNPFEDSA-N -1 0 333.428 3.651 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)NC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001590967805 991086306 /nfs/dbraw/zinc/08/63/06/991086306.db2.gz IMKKMANJACTBOX-OAQYLSRUSA-N -1 0 339.435 3.701 20 0 EHADRM CC(C)[C@H](CNC(=O)CC1(CC(=O)[O-])CCCC1)Nc1ccccc1 ZINC001590982433 991151255 /nfs/dbraw/zinc/15/12/55/991151255.db2.gz NZZMSHFHLLKGNP-KRWDZBQOSA-N -1 0 346.471 3.665 20 0 EHADRM COc1ccccc1-c1nnc(SCc2csc(C(=O)[O-])c2)o1 ZINC001599696149 991151584 /nfs/dbraw/zinc/15/15/84/991151584.db2.gz NWNNRRBTEQDIBA-UHFFFAOYSA-N -1 0 348.405 3.797 20 0 EHADRM COc1ccccc1[C@H](CC(C)C)Nc1nc(C)cc(C(=O)[O-])n1 ZINC001599697531 991170730 /nfs/dbraw/zinc/17/07/30/991170730.db2.gz GPYLPUOMFSZKRT-AWEZNQCLSA-N -1 0 329.400 3.691 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1cc(C(=O)[O-])ccn1)c1ccc(Cl)cc1 ZINC001590988598 991186380 /nfs/dbraw/zinc/18/63/80/991186380.db2.gz NFVVMGHEWFPEBC-OAHLLOKOSA-N -1 0 346.814 3.603 20 0 EHADRM CC(C)[C@H](NC(=O)CCc1ccccc1C(=O)[O-])c1ccc(F)cc1 ZINC001591002202 991263463 /nfs/dbraw/zinc/26/34/63/991263463.db2.gz QDLPBNJIWLROOH-IBGZPJMESA-N -1 0 343.398 3.970 20 0 EHADRM CN(C)c1cc(F)cc(NCc2c3ccccc3[nH]c2C(=O)[O-])c1 ZINC001598307486 991273090 /nfs/dbraw/zinc/27/30/90/991273090.db2.gz WHFZCZRPQLCRFR-UHFFFAOYSA-N -1 0 327.359 3.683 20 0 EHADRM CN(C)c1cc(NCc2ccc(C(=O)[O-])o2)cc(C(F)(F)F)c1 ZINC001598307618 991274891 /nfs/dbraw/zinc/27/48/91/991274891.db2.gz AUZKJOWCTGDZOM-UHFFFAOYSA-N -1 0 328.290 3.675 20 0 EHADRM COc1ccccc1N(C(=O)CC1(CC(=O)[O-])CCCC1)C(C)C ZINC001599711583 991379894 /nfs/dbraw/zinc/37/98/94/991379894.db2.gz BQWKKITWHOBBTP-UHFFFAOYSA-N -1 0 333.428 3.862 20 0 EHADRM CC(C)[C@H](SCC(=O)[O-])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC001591052216 991457810 /nfs/dbraw/zinc/45/78/10/991457810.db2.gz OIZYLIJIDAXBSV-LBPRGKRZSA-N -1 0 336.240 3.774 20 0 EHADRM CC(C)[C@@H](SCc1ccccc1)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001591052880 991463418 /nfs/dbraw/zinc/46/34/18/991463418.db2.gz XNYRRWBWRVBWRY-SOLBZPMBSA-N -1 0 349.496 3.704 20 0 EHADRM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1cc(Br)ccc1C(=O)[O-] ZINC001591058399 991472765 /nfs/dbraw/zinc/47/27/65/991472765.db2.gz ORUFTSIGNQXMLZ-ABAIWWIYSA-N -1 0 340.217 3.768 20 0 EHADRM CC(C)C1(CNC(=O)NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)CC1 ZINC001591060591 991488600 /nfs/dbraw/zinc/48/86/00/991488600.db2.gz ONSNEWHVJLQYDL-MRXNPFEDSA-N -1 0 344.455 3.540 20 0 EHADRM CC(C)C1(C)CCN(C(=O)Nc2cccc(CCC(=O)[O-])c2)CC1 ZINC001591061532 991502144 /nfs/dbraw/zinc/50/21/44/991502144.db2.gz KFZFJDOAOJOGKK-UHFFFAOYSA-N -1 0 332.444 3.994 20 0 EHADRM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001591061849 991505077 /nfs/dbraw/zinc/50/50/77/991505077.db2.gz PFSNWBSSWHAJDN-BMIGLBTASA-N -1 0 340.217 3.768 20 0 EHADRM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001591061852 991505134 /nfs/dbraw/zinc/50/51/34/991505134.db2.gz PFSNWBSSWHAJDN-ZUZCIYMTSA-N -1 0 340.217 3.768 20 0 EHADRM CC(C)[C@H]1C[C@@H](C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)CCO1 ZINC001591071523 991528738 /nfs/dbraw/zinc/52/87/38/991528738.db2.gz CHETUFIYXALXIJ-JOYOIKCWSA-N -1 0 343.782 3.567 20 0 EHADRM CC(C)C1CCC(NC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)CC1 ZINC001591082789 991600523 /nfs/dbraw/zinc/60/05/23/991600523.db2.gz YIZUUHWDDLALNF-UHFFFAOYSA-N -1 0 344.415 3.597 20 0 EHADRM COc1cncc(/C=C/CCNc2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC001599726185 991629192 /nfs/dbraw/zinc/62/91/92/991629192.db2.gz GIOGHZBECIIZBR-UJAVWCLSSA-N -1 0 340.423 3.869 20 0 EHADRM COc1cncc(/C=C/CCN2C[C@H](CC(=O)[O-])c3ccccc32)c1 ZINC001599726383 991633706 /nfs/dbraw/zinc/63/37/06/991633706.db2.gz JWMWLJSEZRNWNS-NBUZRDOWSA-N -1 0 338.407 3.572 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)c2cc(F)cc(C(=O)[O-])c2)c2ccccc21 ZINC001591093203 991654432 /nfs/dbraw/zinc/65/44/32/991654432.db2.gz LUFKWXIYOLSEDS-INIZCTEOSA-N -1 0 327.355 3.924 20 0 EHADRM CC(C)[C@H]1CN(C(=O)Nc2nc(CC(=O)[O-])cs2)c2ccccc21 ZINC001591093220 991654439 /nfs/dbraw/zinc/65/44/39/991654439.db2.gz MADANDUCAGMKBU-CYBMUJFWSA-N -1 0 345.424 3.562 20 0 EHADRM CC(C)[C@H]1N(C(=O)Nc2ccc(CC(=O)[O-])cc2)CC12CC=CC2 ZINC001591098613 991703296 /nfs/dbraw/zinc/70/32/96/991703296.db2.gz HFLZCGUPAYXIKW-QGZVFWFLSA-N -1 0 328.412 3.522 20 0 EHADRM CC(C)C[C@H](C)C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC001591131043 991824758 /nfs/dbraw/zinc/82/47/58/991824758.db2.gz OYRSAFKZGADMAV-KXBFYZLASA-N -1 0 341.451 3.882 20 0 EHADRM CC(C)C[C@@H](C)C(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC001591131216 991826501 /nfs/dbraw/zinc/82/65/01/991826501.db2.gz RTTUJXVWRZCIFM-GFCCVEGCSA-N -1 0 345.361 3.801 20 0 EHADRM CC(C)C[C@H](C)NC(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001591137722 991847002 /nfs/dbraw/zinc/84/70/02/991847002.db2.gz JTECJGHHAHDVHH-GWCFXTLKSA-N -1 0 346.349 3.722 20 0 EHADRM CC(C)CC(CC(C)C)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001591143818 991872782 /nfs/dbraw/zinc/87/27/82/991872782.db2.gz VQRNMHZFMRCOJA-SFHVURJKSA-N -1 0 331.456 3.905 20 0 EHADRM CN(C[C@H]1CC1(C)C)C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001598447360 991887069 /nfs/dbraw/zinc/88/70/69/991887069.db2.gz CGJVBWYQEALCHQ-MRVPVSSYSA-N -1 0 328.771 3.687 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccccc1-c1nccs1)C(=O)[O-] ZINC001591150480 991891023 /nfs/dbraw/zinc/89/10/23/991891023.db2.gz BUTCUSYHZYUYIX-GFCCVEGCSA-N -1 0 347.440 3.679 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1)C(=O)[O-] ZINC001591153615 991897594 /nfs/dbraw/zinc/89/75/94/991897594.db2.gz HOQNVNNLYIJPBI-CQSZACIVSA-N -1 0 344.455 3.942 20 0 EHADRM CC(C)C[C@H](NC(=O)Nc1cc(C(=O)[O-])ccn1)c1ccccc1 ZINC001591178146 991974372 /nfs/dbraw/zinc/97/43/72/991974372.db2.gz NPJFSAWIVNSMNN-HNNXBMFYSA-N -1 0 327.384 3.689 20 0 EHADRM CC(C)C[C@H](OC(=O)[C@H](C)CC(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC001591188193 991992922 /nfs/dbraw/zinc/99/29/22/991992922.db2.gz LQHZCRYICPVGEY-ABAIWWIYSA-N -1 0 340.803 3.591 20 0 EHADRM CC(C)C[C@H](Sc1nnc(-c2cccc(Cl)c2)n1C)C(=O)[O-] ZINC001591191045 991999107 /nfs/dbraw/zinc/99/91/07/991999107.db2.gz LRSHTUCMZUNMBF-LBPRGKRZSA-N -1 0 339.848 3.727 20 0 EHADRM CC(C)CC1(C(=O)OCc2c(F)cc(C(=O)[O-])cc2F)CCC1 ZINC001591192041 992006546 /nfs/dbraw/zinc/00/65/46/992006546.db2.gz KVUFVJLSVVHUJH-UHFFFAOYSA-N -1 0 326.339 3.923 20 0 EHADRM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001591223371 992096842 /nfs/dbraw/zinc/09/68/42/992096842.db2.gz YCKJBZRXXZFQIJ-IRXDYDNUSA-N -1 0 338.492 3.878 20 0 EHADRM CC(C)CCOc1ccccc1CNC(=O)c1cccc(C(=O)[O-])c1 ZINC001591265896 992173985 /nfs/dbraw/zinc/17/39/85/992173985.db2.gz DPIWXPPRPLJCCB-UHFFFAOYSA-N -1 0 341.407 3.740 20 0 EHADRM CC(C)CCOc1ccccc1NC(=O)N[C@@](C)(CC(=O)[O-])C1CC1 ZINC001591266050 992176422 /nfs/dbraw/zinc/17/64/22/992176422.db2.gz MNAWQMVRVBRGPC-IBGZPJMESA-N -1 0 348.443 3.876 20 0 EHADRM CC(C)CCc1ccc(NC(=O)c2ccc(/C=C/C(=O)[O-])o2)nc1 ZINC001591266792 992182482 /nfs/dbraw/zinc/18/24/82/992182482.db2.gz SEUBGCSTFBXOKZ-JXMROGBWSA-N -1 0 328.368 3.613 20 0 EHADRM CC(C)CCn1ncc(N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]23)c1C(C)C ZINC001591277595 992202725 /nfs/dbraw/zinc/20/27/25/992202725.db2.gz YFVNNUOMSMGCQP-CAOSSQGBSA-N -1 0 333.476 3.964 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC001591310417 992272114 /nfs/dbraw/zinc/27/21/14/992272114.db2.gz YXSBQTQFEUZQMT-DLBZAZTESA-N -1 0 349.446 3.915 20 0 EHADRM CC(C)CN(Cc1ccc(F)c(Cl)c1)c1nccc(C(=O)[O-])n1 ZINC001591343698 992325510 /nfs/dbraw/zinc/32/55/10/992325510.db2.gz AYYLWMKVSJLRJU-UHFFFAOYSA-N -1 0 337.782 3.630 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1ccn(Cc2ccccc2)c1 ZINC001598512270 992576431 /nfs/dbraw/zinc/57/64/31/992576431.db2.gz XBMAUVDGOOONBC-UHFFFAOYSA-N -1 0 348.402 3.507 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1csc(C(F)(F)F)c1 ZINC001598512941 992582034 /nfs/dbraw/zinc/58/20/34/992582034.db2.gz CJHUGNCHRDOWMV-UHFFFAOYSA-N -1 0 343.326 3.737 20 0 EHADRM CC(C)C[C@H](NC(=O)c1ccc(OCC2CCCCC2)cc1)C(=O)[O-] ZINC001591468603 992582238 /nfs/dbraw/zinc/58/22/38/992582238.db2.gz GHIQKPUCFJRXAB-SFHVURJKSA-N -1 0 347.455 3.875 20 0 EHADRM CC(C)Cc1ccc(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)s1 ZINC001591477421 992598271 /nfs/dbraw/zinc/59/82/71/992598271.db2.gz QGAACGTUZFVZAM-INIZCTEOSA-N -1 0 331.437 3.845 20 0 EHADRM CC(C)Cc1ccc(CCCC(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC001591483912 992607024 /nfs/dbraw/zinc/60/70/24/992607024.db2.gz PWGNNYKUBRUGQZ-SFHVURJKSA-N -1 0 333.472 3.823 20 0 EHADRM CC(C)Cc1ccc(CC(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])cc1 ZINC001591484276 992610220 /nfs/dbraw/zinc/61/02/20/992610220.db2.gz MAQSUVDGMWOICS-YLJYHZDGSA-N -1 0 331.456 3.577 20 0 EHADRM CC(C)Cc1ccc(NC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)cc1 ZINC001591484558 992611079 /nfs/dbraw/zinc/61/10/79/992611079.db2.gz ZYNMTYSKBMRGCU-SRABZTEZSA-N -1 0 330.428 3.506 20 0 EHADRM CC(C)Cc1ccccc1C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001591488611 992616747 /nfs/dbraw/zinc/61/67/47/992616747.db2.gz HFHQNODHSCJSAE-IBGZPJMESA-N -1 0 337.419 3.709 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)Nc2cccc(C(=O)[O-])n2)c1 ZINC001591489707 992621362 /nfs/dbraw/zinc/62/13/62/992621362.db2.gz XETANYVNZHBQDG-ZDUSSCGKSA-N -1 0 326.396 3.721 20 0 EHADRM CN(Cc1ccc(Cl)c(Cl)c1)Cc1ccc(C(=O)[O-])cn1 ZINC001598518218 992644661 /nfs/dbraw/zinc/64/46/61/992644661.db2.gz UPVVYIOLYYXRJG-UHFFFAOYSA-N -1 0 325.195 3.719 20 0 EHADRM CC(C)Cn1ccc2c1cccc2C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001591521447 992690684 /nfs/dbraw/zinc/69/06/84/992690684.db2.gz JNFXKSQZNPCWNR-CABCVRRESA-N -1 0 342.439 3.671 20 0 EHADRM CC(C)N(C(=O)CNc1cc(C(=O)[O-])c(F)cc1F)c1ccccc1 ZINC001591543699 992728028 /nfs/dbraw/zinc/72/80/28/992728028.db2.gz OZTUEDHTRVUYNC-UHFFFAOYSA-N -1 0 348.349 3.517 20 0 EHADRM CN(Cc1ccccc1-c1ccccc1)C(=O)c1cncc(C(=O)[O-])c1 ZINC001598530065 992768073 /nfs/dbraw/zinc/76/80/73/992768073.db2.gz ZGGFWKJKXXTPRU-UHFFFAOYSA-N -1 0 346.386 3.719 20 0 EHADRM CC(C)N(C)c1cccc(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)c1 ZINC001591562580 992770257 /nfs/dbraw/zinc/77/02/57/992770257.db2.gz VSAIARNSUDYSLA-UHFFFAOYSA-N -1 0 330.428 3.505 20 0 EHADRM CN(Cc1cscn1)Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001598535915 992839592 /nfs/dbraw/zinc/83/95/92/992839592.db2.gz FWNYTJGONPSGNB-UHFFFAOYSA-N -1 0 328.393 3.733 20 0 EHADRM O=C([O-])c1cccc(C(=O)N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)c1 ZINC000535622013 1015742329 /nfs/dbraw/zinc/74/23/29/1015742329.db2.gz ZQNBKVMRFDTTJW-ZFWWWQNUSA-N -1 0 349.308 3.690 20 0 EHADRM COc1ccc(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)c(C(=O)[O-])c1 ZINC001599589255 993656774 /nfs/dbraw/zinc/65/67/74/993656774.db2.gz DFJMLRMCBABJOX-AEGPPILISA-N -1 0 331.412 3.938 20 0 EHADRM COc1ccc(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)c(C(=O)[O-])c1 ZINC001599589259 993657030 /nfs/dbraw/zinc/65/70/30/993657030.db2.gz DFJMLRMCBABJOX-NWANDNLSSA-N -1 0 331.412 3.938 20 0 EHADRM C[C@H](NC(=O)NCC(C)(C)CC(=O)[O-])c1ccccc1C(F)(F)F ZINC001593082768 993674287 /nfs/dbraw/zinc/67/42/87/993674287.db2.gz OYPMHEVVWGFHSZ-JTQLQIEISA-N -1 0 346.349 3.567 20 0 EHADRM COc1ccc(NC(=O)Cc2ccc(CC(C)C)cc2)c(C(=O)[O-])c1 ZINC001599592115 993697719 /nfs/dbraw/zinc/69/77/19/993697719.db2.gz ZJQRCVSFVUQQLB-UHFFFAOYSA-N -1 0 341.407 3.773 20 0 EHADRM COc1ccc(NC(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)cc1 ZINC001599594000 993724868 /nfs/dbraw/zinc/72/48/68/993724868.db2.gz JFSWNKGULKMXMB-UHFFFAOYSA-N -1 0 344.367 3.825 20 0 EHADRM C[C@@H](NC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)C(F)(F)F ZINC001593108255 993763339 /nfs/dbraw/zinc/76/33/39/993763339.db2.gz CPFGLGRIRRYOOE-MRVPVSSYSA-N -1 0 326.274 3.610 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(F)c(Cl)c1)c1ncc(C(=O)[O-])s1 ZINC001593115780 993802891 /nfs/dbraw/zinc/80/28/91/993802891.db2.gz RILPMZKDJXUGEX-ZCFIWIBFSA-N -1 0 343.767 3.517 20 0 EHADRM COc1ccc(OC(F)F)c(NCc2ccsc2C(=O)[O-])c1 ZINC001599600256 993804821 /nfs/dbraw/zinc/80/48/21/993804821.db2.gz GQLAOWCOJTZLJO-UHFFFAOYSA-N -1 0 329.324 3.668 20 0 EHADRM C[C@@H](NC(=O)Nc1ccccc1C(F)F)c1ncc(C(=O)[O-])s1 ZINC001593125446 993863779 /nfs/dbraw/zinc/86/37/79/993863779.db2.gz ZIKUXZQQFLVHBN-SSDOTTSWSA-N -1 0 341.339 3.662 20 0 EHADRM CN1CCN(Cc2ccc(C(=O)[O-])c(F)c2)c2cc(Cl)ccc21 ZINC001598619260 993966921 /nfs/dbraw/zinc/96/69/21/993966921.db2.gz JWMYHISUVHGXJW-UHFFFAOYSA-N -1 0 334.778 3.634 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])cc1F)c1ccc2ncsc2c1 ZINC001593160504 993991209 /nfs/dbraw/zinc/99/12/09/993991209.db2.gz YBODOWLFTCOCKZ-VIFPVBQESA-N -1 0 344.367 3.625 20 0 EHADRM COc1ccc(S[C@@H](C)c2nc(-c3cc(C(=O)[O-])co3)no2)cc1 ZINC001599618164 994045631 /nfs/dbraw/zinc/04/56/31/994045631.db2.gz CYEWXTNRHYFEMP-VIFPVBQESA-N -1 0 346.364 3.890 20 0 EHADRM COc1ccc([C@@H](C)N[C@@H](C)c2cc(C)c(C(=O)[O-])o2)c(OC)c1 ZINC001599620781 994079618 /nfs/dbraw/zinc/07/96/18/994079618.db2.gz RUVXVGGEIIINOU-NEPJUHHUSA-N -1 0 333.384 3.715 20 0 EHADRM C[C@H](NC(=S)Nc1cccc(CCC(=O)[O-])c1)c1ccccc1 ZINC001593190690 994125337 /nfs/dbraw/zinc/12/53/37/994125337.db2.gz UTYFUWPASTVEKG-ZDUSSCGKSA-N -1 0 328.437 3.751 20 0 EHADRM COc1ccc2c(c1)[C@H](C(=O)O[C@@H](C)c1ccc(C(=O)[O-])cc1)CC2 ZINC001599624345 994127292 /nfs/dbraw/zinc/12/72/92/994127292.db2.gz CGBFAICPJCOBBV-YVEFUNNKSA-N -1 0 340.375 3.728 20 0 EHADRM C[C@H](NC(=S)Nc1ccc([C@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC001593190966 994130042 /nfs/dbraw/zinc/13/00/42/994130042.db2.gz ZRFKNWRAQNLPOE-STQMWFEESA-N -1 0 328.437 3.922 20 0 EHADRM COc1ccc2c(c1)CC[C@H](C(=O)Nc1cc(C)c(C(=O)[O-])s1)C2 ZINC001599625938 994148593 /nfs/dbraw/zinc/14/85/93/994148593.db2.gz FLDUATJNQNXAQB-ZDUSSCGKSA-N -1 0 345.420 3.507 20 0 EHADRM COc1ccc2cc(C(=O)N(CC(C)C)C(C)(C)C(=O)[O-])sc2c1 ZINC001599633859 994257966 /nfs/dbraw/zinc/25/79/66/994257966.db2.gz RMLFYCPDDKEDRZ-UHFFFAOYSA-N -1 0 349.452 3.871 20 0 EHADRM COc1ccc2cc(C(=O)N[C@H](C(=O)[O-])C3CCCCC3)sc2c1 ZINC001599633954 994258898 /nfs/dbraw/zinc/25/88/98/994258898.db2.gz XWOUXNJJINDGMZ-INIZCTEOSA-N -1 0 347.436 3.673 20 0 EHADRM C[C@H](N[C@@H](Cc1ccccc1)c1ncco1)c1ccc(C(=O)[O-])o1 ZINC001593211039 994259881 /nfs/dbraw/zinc/25/98/81/994259881.db2.gz UVUWUQLYSDIYAV-JSGCOSHPSA-N -1 0 326.352 3.600 20 0 EHADRM COc1cccc(-n2ccnc2SC[C@@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC001599640954 994358337 /nfs/dbraw/zinc/35/83/37/994358337.db2.gz OVHUUCJCXGGHGX-XJKSGUPXSA-N -1 0 346.452 3.864 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1cc2c(cccc2F)s1 ZINC001599644233 994401889 /nfs/dbraw/zinc/40/18/89/994401889.db2.gz ZSUKTENNPUIRNO-UHFFFAOYSA-N -1 0 346.335 3.966 20 0 EHADRM COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)C[C@H]2CCCCC2(C)C)c1 ZINC001599648032 994453157 /nfs/dbraw/zinc/45/31/57/994453157.db2.gz OYCOOVJFAFCVIH-QAPCUYQASA-N -1 0 347.455 3.886 20 0 EHADRM COc1cccc([C@H](C(=O)[O-])N(C)C(=O)C[C@H](C)CC(C)(C)C)c1 ZINC001599648468 994459400 /nfs/dbraw/zinc/45/94/00/994459400.db2.gz WDBLFNFAWOYDMU-SUMWQHHRSA-N -1 0 335.444 3.742 20 0 EHADRM COc1cccc(C(C)(C)C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c1 ZINC001599649091 994468196 /nfs/dbraw/zinc/46/81/96/994468196.db2.gz IEQNALFSJBHYTI-UHFFFAOYSA-N -1 0 349.333 3.588 20 0 EHADRM COc1cccc([C@@H](C(=O)[O-])N(C)Cc2c(F)cccc2Cl)c1 ZINC001599650864 994496335 /nfs/dbraw/zinc/49/63/35/994496335.db2.gz OSWVRUFPOUJOFE-INIZCTEOSA-N -1 0 337.778 3.745 20 0 EHADRM COc1cccc([C@@H](C)C(=O)OCc2cc(C(=O)[O-])ccc2C)c1 ZINC001599653954 994549224 /nfs/dbraw/zinc/54/92/24/994549224.db2.gz DGPGSMLIQWSVRQ-CYBMUJFWSA-N -1 0 328.364 3.549 20 0 EHADRM COc1cccc([C@H](OC(=O)c2oc(C(F)F)cc2C)C(=O)[O-])c1 ZINC001599660242 994644671 /nfs/dbraw/zinc/64/46/71/994644671.db2.gz CDCUYPGTVYQIRJ-ZDUSSCGKSA-N -1 0 340.278 3.517 20 0 EHADRM C[C@H](NCc1c(Cl)cccc1Cl)c1cncc(C(=O)[O-])c1 ZINC001593286630 994647581 /nfs/dbraw/zinc/64/75/81/994647581.db2.gz VBIOWFAEBRHMLX-VIFPVBQESA-N -1 0 325.195 3.937 20 0 EHADRM C[C@H](NCc1cc(C(=O)[O-])cs1)c1nc(C2CCCCC2)no1 ZINC001593288913 994661039 /nfs/dbraw/zinc/66/10/39/994661039.db2.gz NXAOCJMGXUWJKN-JTQLQIEISA-N -1 0 335.429 3.728 20 0 EHADRM C[C@@H](NCc1ccc(Cl)c(C(=O)[O-])n1)c1nccc2ccccc21 ZINC001593298343 994713528 /nfs/dbraw/zinc/71/35/28/994713528.db2.gz IMDWZQZTEJNZIG-LLVKDONJSA-N -1 0 341.798 3.832 20 0 EHADRM C[C@H](NCc1nc(C(C)(C)C)cs1)c1ccccc1OCC(=O)[O-] ZINC001593311530 994783828 /nfs/dbraw/zinc/78/38/28/994783828.db2.gz HBJIACSMVMYEJX-LBPRGKRZSA-N -1 0 348.468 3.755 20 0 EHADRM COc1cccc(CCCN2CC[C@H](C(=O)[O-])c3ccccc32)c1 ZINC001599671851 994826772 /nfs/dbraw/zinc/82/67/72/994826772.db2.gz JMWNSSXRXDCMSV-SFHVURJKSA-N -1 0 325.408 3.706 20 0 EHADRM COc1cccc(Cl)c1NC(=O)N[C@@H](CC(=O)[O-])C1CCCC1 ZINC001599677698 994924925 /nfs/dbraw/zinc/92/49/25/994924925.db2.gz URZRSRMKODFBNM-LBPRGKRZSA-N -1 0 340.807 3.504 20 0 EHADRM C[C@H](Nc1cccc(N2CCCCC2)c1)c1cncc(C(=O)[O-])c1 ZINC001593366513 995050900 /nfs/dbraw/zinc/05/09/00/995050900.db2.gz XVEZIDYAQPJMQH-AWEZNQCLSA-N -1 0 325.412 3.943 20 0 EHADRM C[C@H](Nc1ncc(C(=O)[O-])cn1)c1cc(Cl)cc(Cl)c1F ZINC001593375034 995077136 /nfs/dbraw/zinc/07/71/36/995077136.db2.gz ZLPPJJCOWOEHKJ-LURJTMIESA-N -1 0 330.146 3.794 20 0 EHADRM O=C([O-])CCN(C(=O)c1ccc(-c2ccccc2Cl)o1)C1CC1 ZINC000238055019 1015925775 /nfs/dbraw/zinc/92/57/75/1015925775.db2.gz ONTSBKGYGBQTAL-UHFFFAOYSA-N -1 0 333.771 3.679 20 0 EHADRM COC(=O)[C@H](N[C@H](c1ccccc1)C(C)C)c1cccc(C(=O)[O-])c1 ZINC001598708597 995319869 /nfs/dbraw/zinc/31/98/69/995319869.db2.gz NVBKIKUZCSMCTO-ZWKOTPCHSA-N -1 0 341.407 3.586 20 0 EHADRM Cc1ccc2c(CC(=O)N3CCC[C@H](C(C)(C)C(=O)[O-])C3)coc2c1 ZINC000327068050 1015936831 /nfs/dbraw/zinc/93/68/31/1015936831.db2.gz QAURDBUMVMTHNE-HNNXBMFYSA-N -1 0 343.423 3.633 20 0 EHADRM COC(=O)[C@@H](S[C@@H](C)CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001598712399 995364292 /nfs/dbraw/zinc/36/42/92/995364292.db2.gz PJHBKRXFTGXUBL-UFBFGSQYSA-N -1 0 336.331 3.516 20 0 EHADRM C[C@H](OC(=O)C(C)(C)CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC001593484139 995440412 /nfs/dbraw/zinc/44/04/12/995440412.db2.gz FBRIXTRQDNCLAY-VIFPVBQESA-N -1 0 334.290 3.690 20 0 EHADRM C[C@@H](OC(=O)C1(c2ccc(Cl)cc2)CC1)c1cc(C(=O)[O-])co1 ZINC001593495939 995471013 /nfs/dbraw/zinc/47/10/13/995471013.db2.gz CTQBFNBVEKGWRG-SNVBAGLBSA-N -1 0 334.755 3.967 20 0 EHADRM C[C@@H](OC(=O)Cn1ccc2ccc(Cl)cc21)c1cc(C(=O)[O-])co1 ZINC001593542157 995611902 /nfs/dbraw/zinc/61/19/02/995611902.db2.gz MWEQKLIDPIGHMR-SNVBAGLBSA-N -1 0 347.754 3.890 20 0 EHADRM C[C@@H](OC(=O)c1cc(F)c(F)cc1Cl)c1ccc(C(=O)[O-])o1 ZINC001593566140 995661994 /nfs/dbraw/zinc/66/19/94/995661994.db2.gz WJEUYXPRWDFIPM-ZCFIWIBFSA-N -1 0 330.670 3.827 20 0 EHADRM C[C@H](OC(=O)c1cc(F)c(F)cc1Cl)c1ccc(C(=O)[O-])o1 ZINC001593566139 995662008 /nfs/dbraw/zinc/66/20/08/995662008.db2.gz WJEUYXPRWDFIPM-LURJTMIESA-N -1 0 330.670 3.827 20 0 EHADRM C[C@@H](OC(=O)c1ccc(Cl)c(Cl)c1N)c1ccc(C(=O)[O-])o1 ZINC001593578480 995686675 /nfs/dbraw/zinc/68/66/75/995686675.db2.gz BGBRCCBPNSBNNE-ZCFIWIBFSA-N -1 0 344.150 3.785 20 0 EHADRM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000007428434 1015972351 /nfs/dbraw/zinc/97/23/51/1015972351.db2.gz HDYRJBXSCJSWOB-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM C[C@H](OC(=O)c1ccccc1OCC1CC1)c1cc(C(=O)[O-])co1 ZINC001593592619 995723211 /nfs/dbraw/zinc/72/32/11/995723211.db2.gz VUBLLUREYJBGME-NSHDSACASA-N -1 0 330.336 3.685 20 0 EHADRM CC(C)c1nc(NC(=O)[C@H](C)OC2CCCCC2)sc1C(=O)[O-] ZINC001593602272 995762231 /nfs/dbraw/zinc/76/22/31/995762231.db2.gz AVUFMSGDDYVGEN-JTQLQIEISA-N -1 0 340.445 3.641 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)Nc1c(F)ccc(F)c1C(=O)[O-] ZINC001593603378 995769077 /nfs/dbraw/zinc/76/90/77/995769077.db2.gz UAWSIRGVIJHIDZ-SNVBAGLBSA-N -1 0 341.354 3.729 20 0 EHADRM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC001593620620 995870474 /nfs/dbraw/zinc/87/04/74/995870474.db2.gz KTQHJXLRSQXKMB-GHMZBOCLSA-N -1 0 349.333 3.559 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)c2csc(Cl)c2)cc1F)C(=O)[O-] ZINC001593634219 995925019 /nfs/dbraw/zinc/92/50/19/995925019.db2.gz NTCJVHJJYDHUCJ-ZETCQYMHSA-N -1 0 343.763 3.645 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC001593661543 996038290 /nfs/dbraw/zinc/03/82/90/996038290.db2.gz FVLGOIUPRROXKR-AWEZNQCLSA-N -1 0 335.469 3.554 20 0 EHADRM C[C@H](SCc1ccc(C(=O)[O-])c(Cl)c1)C(=O)N1CCCCC1 ZINC001593661645 996038729 /nfs/dbraw/zinc/03/87/29/996038729.db2.gz JWCHTVBTVNNBHE-NSHDSACASA-N -1 0 341.860 3.672 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC001593663344 996044912 /nfs/dbraw/zinc/04/49/12/996044912.db2.gz LPYUSKZUSHSBPF-CYBMUJFWSA-N -1 0 341.432 3.596 20 0 EHADRM COC(=O)[C@@H]1CCCC[C@H]1CSc1nc2ccc(C(=O)[O-])cc2o1 ZINC001598788223 996048079 /nfs/dbraw/zinc/04/80/79/996048079.db2.gz ODXDPONFFGDWNK-NWDGAFQWSA-N -1 0 349.408 3.598 20 0 EHADRM C[C@H](Sc1ccc(F)cc1)C(=O)N(C)c1ccccc1C(=O)[O-] ZINC001593667042 996055052 /nfs/dbraw/zinc/05/50/52/996055052.db2.gz IZYBBBBQAAUVCB-NSHDSACASA-N -1 0 333.384 3.668 20 0 EHADRM C[C@@H](Sc1ncccc1C(=O)[O-])c1nnc(-c2ccccc2)o1 ZINC001593678452 996092286 /nfs/dbraw/zinc/09/22/86/996092286.db2.gz OGDMFGFXKITGEC-SNVBAGLBSA-N -1 0 327.365 3.683 20 0 EHADRM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)c1ccnc(C(=O)[O-])n1 ZINC001593694464 996150602 /nfs/dbraw/zinc/15/06/02/996150602.db2.gz VGBLSIWWDYREPG-MRVPVSSYSA-N -1 0 326.183 3.679 20 0 EHADRM C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccccc1CCC(=O)[O-] ZINC001593697583 996157074 /nfs/dbraw/zinc/15/70/74/996157074.db2.gz LXJMERXGKCGQLS-ZDUSSCGKSA-N -1 0 329.371 3.676 20 0 EHADRM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001593699779 996172401 /nfs/dbraw/zinc/17/24/01/996172401.db2.gz ZBSZPBYJMRABQZ-LBPRGKRZSA-N -1 0 331.799 3.800 20 0 EHADRM C[C@@H](c1cccc(Cl)c1F)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001593699765 996172856 /nfs/dbraw/zinc/17/28/56/996172856.db2.gz YCBQFLCAJSDQSJ-ISVAXAHUSA-N -1 0 339.716 3.879 20 0 EHADRM C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001593705710 996192365 /nfs/dbraw/zinc/19/23/65/996192365.db2.gz KJQWSRSHCXZXJX-SPUZQDLCSA-N -1 0 329.440 3.672 20 0 EHADRM C[C@@H](c1ncc(C(=O)[O-])s1)N1CCC(OCC2CCCC2)CC1 ZINC001593730917 996298272 /nfs/dbraw/zinc/29/82/72/996298272.db2.gz BMTIMOVFMCWSRL-LBPRGKRZSA-N -1 0 338.473 3.574 20 0 EHADRM C[C@@H](c1ncc(C(=O)[O-])s1)N1CC2(CCC2)c2c1cccc2F ZINC001593732481 996313689 /nfs/dbraw/zinc/31/36/89/996313689.db2.gz VMOFDBOAQUAIBF-JTQLQIEISA-N -1 0 332.400 3.983 20 0 EHADRM C[C@]1(C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])CCc2ccccc2C1 ZINC001593749995 996392626 /nfs/dbraw/zinc/39/26/26/996392626.db2.gz XHXPQYCLZJAETO-RXVVDRJESA-N -1 0 343.467 3.579 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(c2nc(Cl)c(C(F)(F)F)cc2Cl)C1 ZINC001593801011 996521797 /nfs/dbraw/zinc/52/17/97/996521797.db2.gz KSHOWABGDBYUGG-LLVKDONJSA-N -1 0 343.132 3.708 20 0 EHADRM CC1(C)C(C(=O)N[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1(C)C ZINC001593825536 996569558 /nfs/dbraw/zinc/56/95/58/996569558.db2.gz HMDIBCFDPNOGJS-NSHDSACASA-N -1 0 343.345 3.630 20 0 EHADRM CC1(C)C(c2cc(NC(=O)C=Cc3ccc(C(=O)[O-])o3)n[nH]2)C1(C)C ZINC001593837977 996596433 /nfs/dbraw/zinc/59/64/33/996596433.db2.gz OEKHMNUJNYLMTP-SOFGYWHQSA-N -1 0 343.383 3.502 20 0 EHADRM CC1(C)CC(CNC(=O)NCc2ccc(C(=O)[O-])o2)CC(C)(C)C1 ZINC001593854680 996637645 /nfs/dbraw/zinc/63/76/45/996637645.db2.gz XNNQLSYXROHKIT-UHFFFAOYSA-N -1 0 336.432 3.630 20 0 EHADRM CC1(C)C[C@H](OC(=O)Cc2ccc(C(=O)[O-])cc2)c2ccccc2O1 ZINC001593862097 996659135 /nfs/dbraw/zinc/65/91/35/996659135.db2.gz SYRSTKGTVFMSOK-KRWDZBQOSA-N -1 0 340.375 3.773 20 0 EHADRM CC1(C)C[C@H](O)c2cccc(NCc3csc(C(=O)[O-])c3)c2O1 ZINC001593862291 996660938 /nfs/dbraw/zinc/66/09/38/996660938.db2.gz YYJMAGKRPKWZGR-ZDUSSCGKSA-N -1 0 333.409 3.653 20 0 EHADRM COC(=O)CCc1cccc(NCc2cccc(C(=O)[O-])c2Cl)c1 ZINC001598859243 996661081 /nfs/dbraw/zinc/66/10/81/996661081.db2.gz RITCJYBGVUDWMV-UHFFFAOYSA-N -1 0 347.798 3.756 20 0 EHADRM CC1(C)CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C2CC2)[C@H](c2ccccc2)C1 ZINC001593874089 996687517 /nfs/dbraw/zinc/68/75/17/996687517.db2.gz FCCVGNALMARFQM-BZSNNMDCSA-N -1 0 343.467 3.966 20 0 EHADRM CC1(C)CCC(CC(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)CC1 ZINC001593874439 996690616 /nfs/dbraw/zinc/69/06/16/996690616.db2.gz UFPOALYFGZIVGM-INIZCTEOSA-N -1 0 339.382 3.813 20 0 EHADRM CC1(C)CCC[C@@](NC(=O)Cc2cccc(Cl)c2F)(C(=O)[O-])C1 ZINC001593892964 996744709 /nfs/dbraw/zinc/74/47/09/996744709.db2.gz ZGWVQLRUKKWPFM-KRWDZBQOSA-N -1 0 341.810 3.561 20 0 EHADRM CC1(C)CCC[C@@H]1CCNC(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001593903068 996770264 /nfs/dbraw/zinc/77/02/64/996770264.db2.gz HMVJKNDTETXQRA-OAHLLOKOSA-N -1 0 344.455 3.669 20 0 EHADRM CC1(C)CCCC[C@H]1CC(=O)N1CCOc2ccccc2[C@H]1C(=O)[O-] ZINC001593905364 996786270 /nfs/dbraw/zinc/78/62/70/996786270.db2.gz SAKWXXBLKHPTHT-KSSFIOAISA-N -1 0 345.439 3.640 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)c1cccc(C2CCC2)c1 ZINC001599379467 996807897 /nfs/dbraw/zinc/80/78/97/996807897.db2.gz QLVCKEAOAFNNAV-UHFFFAOYSA-N -1 0 326.348 3.880 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)c1c(C)occ1C(F)(F)F ZINC001599379506 996809252 /nfs/dbraw/zinc/80/92/52/996809252.db2.gz RCZYGEAOZFFDFY-UHFFFAOYSA-N -1 0 344.241 3.533 20 0 EHADRM CC1(C)CCc2cccc(NC(=O)/C=C/c3cc(C(=O)[O-])co3)c2O1 ZINC001593916360 996817715 /nfs/dbraw/zinc/81/77/15/996817715.db2.gz OOXBCIXKCDESMA-VOTSOKGWSA-N -1 0 341.363 3.733 20 0 EHADRM CC1(C)CCN(Cc2ccccc2OCC(=O)[O-])c2ccccc21 ZINC001593922966 996836617 /nfs/dbraw/zinc/83/66/17/996836617.db2.gz GSKVLIYQYZCOEZ-UHFFFAOYSA-N -1 0 325.408 3.838 20 0 EHADRM CC1(C)CCc2onc(CNc3nc(Cl)c(C(=O)[O-])s3)c2C1 ZINC001593924314 996846728 /nfs/dbraw/zinc/84/67/28/996846728.db2.gz CNDWHAFEUPBVPK-UHFFFAOYSA-N -1 0 341.820 3.610 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccccc2C(=O)[O-])CC[C@@H]1C(F)(F)F ZINC001593935051 996906576 /nfs/dbraw/zinc/90/65/76/996906576.db2.gz MDAZGJRLVHESMT-LBPRGKRZSA-N -1 0 344.333 3.827 20 0 EHADRM CC1(C)CN(C(=O)Nc2cccc(F)c2C(=O)[O-])[C@H]1c1ccco1 ZINC001593935634 996911812 /nfs/dbraw/zinc/91/18/12/996911812.db2.gz SGLUFGAVLDHPCF-AWEZNQCLSA-N -1 0 332.331 3.732 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@H](C)[C@@H](C)C(C)(C)C)c1F ZINC001599489789 996917576 /nfs/dbraw/zinc/91/75/76/996917576.db2.gz QFAAFASBIIBDGY-NXEZZACHSA-N -1 0 325.380 3.789 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cc(F)cc3ccoc32)c1 ZINC001599489839 996918606 /nfs/dbraw/zinc/91/86/06/996918606.db2.gz MOOXMVGSJXRJFC-UHFFFAOYSA-N -1 0 329.283 3.531 20 0 EHADRM COCc1cc(NC(=O)CCCCc2ccccc2)cc(C(=O)[O-])c1 ZINC001599284049 996944450 /nfs/dbraw/zinc/94/44/50/996944450.db2.gz MKTTYOJMQGOVTN-UHFFFAOYSA-N -1 0 341.407 3.883 20 0 EHADRM COCc1cc(NC(=O)N[C@H](C)c2cc(C)oc2C)cc(C(=O)[O-])c1 ZINC001599285163 996963449 /nfs/dbraw/zinc/96/34/49/996963449.db2.gz CDXMYMSYVZLATD-LLVKDONJSA-N -1 0 346.383 3.624 20 0 EHADRM COCc1cc(NC(=O)NCc2cccc(Cl)c2)cc(C(=O)[O-])c1 ZINC001599285591 996971052 /nfs/dbraw/zinc/97/10/52/996971052.db2.gz DBYIRWHPRSJGBC-UHFFFAOYSA-N -1 0 348.786 3.506 20 0 EHADRM COCc1cc(NC(=O)N2CCC[C@H](C3CCC3)C2)cc(C(=O)[O-])c1 ZINC001599285922 996977719 /nfs/dbraw/zinc/97/77/19/996977719.db2.gz RZXGFGITXMNVFH-HNNXBMFYSA-N -1 0 346.427 3.575 20 0 EHADRM Cc1ccccc1NC(=O)N[N-]C(=O)c1cc2cccc(Cl)c2o1 ZINC000084716360 1016084763 /nfs/dbraw/zinc/08/47/63/1016084763.db2.gz SQAWFXKBPHTYTK-UHFFFAOYSA-N -1 0 343.770 3.861 20 0 EHADRM COc1cc(C)c([C@@H](C)OC(=O)/C=C/c2cc(C(=O)[O-])co2)cc1C ZINC001599390805 997031195 /nfs/dbraw/zinc/03/11/95/997031195.db2.gz POMYMBRSADDRCO-URWSZGRFSA-N -1 0 344.363 3.921 20 0 EHADRM COc1cc(C)c([C@@H](C)OC(=O)c2cc(C(=O)[O-])oc2C)cc1C ZINC001599390881 997032686 /nfs/dbraw/zinc/03/26/86/997032686.db2.gz SHDJCHKQBPVKAC-LLVKDONJSA-N -1 0 332.352 3.830 20 0 EHADRM COc1cc(C)cc(NC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1C ZINC001599391960 997054360 /nfs/dbraw/zinc/05/43/60/997054360.db2.gz HQWOEXQURADRTA-AWEZNQCLSA-N -1 0 348.443 3.667 20 0 EHADRM CO[C@@]1(C)C[C@@H](N(C)C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)C1(C)C ZINC001599085191 997085200 /nfs/dbraw/zinc/08/52/00/997085200.db2.gz JNAXZCHEHHKLEP-BEFAXECRSA-N -1 0 348.443 3.669 20 0 EHADRM COc1cc(C)nc(CSc2nc3ccc(C(=O)[O-])cc3o2)c1 ZINC001599394109 997092299 /nfs/dbraw/zinc/09/22/99/997092299.db2.gz ATIWNNKFPZBLGZ-UHFFFAOYSA-N -1 0 330.365 3.530 20 0 EHADRM COCc1ccc(N[C@H](C(=O)[O-])c2ccc(Cl)cc2)cc1OC ZINC001599294662 997118123 /nfs/dbraw/zinc/11/81/23/997118123.db2.gz IWECKRRKXHYPIN-INIZCTEOSA-N -1 0 335.787 3.733 20 0 EHADRM COCc1ccccc1C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001599297246 997166273 /nfs/dbraw/zinc/16/62/73/997166273.db2.gz IOYKMRKNYAYSFR-UHFFFAOYSA-N -1 0 335.359 3.937 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1occc1C(C)C ZINC001599398283 997168545 /nfs/dbraw/zinc/16/85/45/997168545.db2.gz IOERVLJQBKOKBT-ALCCZGGFSA-N -1 0 330.336 3.729 20 0 EHADRM COCC1(C(=O)O[C@H]2CCCc3cc(C(=O)[O-])ccc32)CCCC1 ZINC001599195224 997202023 /nfs/dbraw/zinc/20/20/23/997202023.db2.gz IRXZOLNRGHIROD-INIZCTEOSA-N -1 0 332.396 3.512 20 0 EHADRM COc1ccc([C@@H](C)N(C)C(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC001599507296 997232763 /nfs/dbraw/zinc/23/27/63/997232763.db2.gz LLKDTGRXVAAAMM-CYBMUJFWSA-N -1 0 342.395 3.927 20 0 EHADRM COc1ccc([C@H](C)SCC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC001599508648 997257511 /nfs/dbraw/zinc/25/75/11/997257511.db2.gz SYOVQQFDLNSYQQ-LBPRGKRZSA-N -1 0 345.420 3.826 20 0 EHADRM COCC1(CNc2c(Cl)cc(Cl)cc2C(=O)[O-])CCOCC1 ZINC001599199252 997275217 /nfs/dbraw/zinc/27/52/17/997275217.db2.gz QBSBXLKNAOHBEZ-UHFFFAOYSA-N -1 0 348.226 3.547 20 0 EHADRM COc1cc(CN(C)Cc2cc(C(=O)[O-])ccc2Cl)cc(OC)c1 ZINC001599405273 997285321 /nfs/dbraw/zinc/28/53/21/997285321.db2.gz RCWRHRHEDONOGF-UHFFFAOYSA-N -1 0 349.814 3.687 20 0 EHADRM C[C@@]1(CC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CC1(Cl)Cl ZINC001593996555 997308866 /nfs/dbraw/zinc/30/88/66/997308866.db2.gz YSOVWGVOBRSBHN-SMDDNHRTSA-N -1 0 336.259 3.500 20 0 EHADRM CC1(CC(=O)Nc2ccc(OCC(=O)[O-])c3ncccc23)CCCC1 ZINC001593998636 997331053 /nfs/dbraw/zinc/33/10/53/997331053.db2.gz WPTBTLAMSUXFDW-UHFFFAOYSA-N -1 0 342.395 3.607 20 0 EHADRM COC1CCC(CC(=O)O[C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC001599100207 997368451 /nfs/dbraw/zinc/36/84/51/997368451.db2.gz OIWBSQZXNCXGPX-HFLCMSJXSA-N -1 0 340.803 3.604 20 0 EHADRM C[C@]1(CCc2ccccc2)CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C1 ZINC001594010950 997454672 /nfs/dbraw/zinc/45/46/72/997454672.db2.gz YVUTZBWIWZLJHY-UEXGIBASSA-N -1 0 343.467 3.749 20 0 EHADRM COc1ccc([C@H](NC(=O)C[C@@H](C)CCC=C(C)C)C(=O)[O-])cc1 ZINC001599520326 997467355 /nfs/dbraw/zinc/46/73/55/997467355.db2.gz RPALWIYGHQEQQI-KSSFIOAISA-N -1 0 333.428 3.710 20 0 EHADRM COc1cc(CNC(=O)c2ccccc2C2CCC2)ccc1C(=O)[O-] ZINC001599414085 997473981 /nfs/dbraw/zinc/47/39/81/997473981.db2.gz FRZYAXYVBWACEB-UHFFFAOYSA-N -1 0 339.391 3.591 20 0 EHADRM COCCC(C)(C)NC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001599209953 997480170 /nfs/dbraw/zinc/48/01/70/997480170.db2.gz VTVJPOYCYBAWGX-UHFFFAOYSA-N -1 0 336.413 3.536 20 0 EHADRM CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001599317494 997525605 /nfs/dbraw/zinc/52/56/05/997525605.db2.gz NNWHOJOTHGEAQP-TZMCWYRMSA-N -1 0 334.416 3.915 20 0 EHADRM COc1cc(Cl)cc(C(=O)NC2(CCC(=O)[O-])CCCCC2)c1 ZINC001599419603 997571409 /nfs/dbraw/zinc/57/14/09/997571409.db2.gz DZHVTVRLUMSJLZ-UHFFFAOYSA-N -1 0 339.819 3.646 20 0 EHADRM CO[C@@H]1CCC[C@@H](CC(=O)Nc2scc(C3CC3)c2C(=O)[O-])C1 ZINC001599112547 997596409 /nfs/dbraw/zinc/59/64/09/997596409.db2.gz NTRLTQUOHGSFOD-ZYHUDNBSSA-N -1 0 337.441 3.858 20 0 EHADRM COC(=O)c1cc(/C=C(/C(=O)[O-])c2nc(C(C)(C)C)cs2)c(C)o1 ZINC001598928010 997686499 /nfs/dbraw/zinc/68/64/99/997686499.db2.gz HKVMIVLEHBHMHC-IZZDOVSWSA-N -1 0 349.408 3.754 20 0 EHADRM CC1(F)CCN(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])CC1 ZINC001594044740 997690037 /nfs/dbraw/zinc/69/00/37/997690037.db2.gz CPLXFMSEBUYYEP-UHFFFAOYSA-N -1 0 326.393 3.680 20 0 EHADRM COc1ccc(C)cc1[C@@H](C)OC(=O)c1ccc(C(=O)[O-])cc1F ZINC001599535757 997741411 /nfs/dbraw/zinc/74/14/11/997741411.db2.gz CFMJXRLWGFANSF-LLVKDONJSA-N -1 0 332.327 3.759 20 0 EHADRM COCCC[C@H](C)C(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001599226033 997761139 /nfs/dbraw/zinc/76/11/39/997761139.db2.gz XPFWGIJLQDVUIX-GWCFXTLKSA-N -1 0 348.317 3.594 20 0 EHADRM COc1c(C)ccc(NC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)c1C ZINC001599333179 997784079 /nfs/dbraw/zinc/78/40/79/997784079.db2.gz XZKOAFYYIGCVHE-YWZLYKJASA-N -1 0 339.391 3.509 20 0 EHADRM COc1c(Cl)cccc1-c1noc(C23CCC(C(=O)[O-])(CC2)C3)n1 ZINC001599334316 997806477 /nfs/dbraw/zinc/80/64/77/997806477.db2.gz MIGSPMHKAPTCDA-UHFFFAOYSA-N -1 0 348.786 3.685 20 0 EHADRM COc1cc(NC(=O)N2CCC[C@H](CC(C)C)C2)ccc1C(=O)[O-] ZINC001599436216 997851125 /nfs/dbraw/zinc/85/11/25/997851125.db2.gz YHVFJFCFGNBDHZ-CYBMUJFWSA-N -1 0 334.416 3.683 20 0 EHADRM COC(=O)c1cc(COc2ccc(C(=O)[O-])c(Cl)c2)c(C)s1 ZINC001598935508 997857367 /nfs/dbraw/zinc/85/73/67/997857367.db2.gz XVZRLHFMLJUKOL-UHFFFAOYSA-N -1 0 340.784 3.774 20 0 EHADRM COc1c(NC(=O)[C@H](C)CSc2ccccc2)cccc1C(=O)[O-] ZINC001599337861 997868746 /nfs/dbraw/zinc/86/87/46/997868746.db2.gz OCDGMORDWOVAKF-GFCCVEGCSA-N -1 0 345.420 3.760 20 0 EHADRM COc1c(NC(=O)N[C@@H]2CCC(C)(C)C[C@@H]2C)cccc1C(=O)[O-] ZINC001599342471 997944059 /nfs/dbraw/zinc/94/40/59/997944059.db2.gz XKQBMMQTPFMRGM-WCQYABFASA-N -1 0 334.416 3.730 20 0 EHADRM COc1cc(N[C@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)c(C)cc1C ZINC001599442613 997954399 /nfs/dbraw/zinc/95/43/99/997954399.db2.gz GJYOZXSIMNWDOF-CYBMUJFWSA-N -1 0 344.411 3.638 20 0 EHADRM CC1(c2ccccc2C(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)CC1 ZINC001594078886 997956755 /nfs/dbraw/zinc/95/67/55/997956755.db2.gz ATUMGDMRYMAULP-QFIPXVFZSA-N -1 0 349.430 3.607 20 0 EHADRM COCCN(Cc1ccc(C)c(C)c1)Cc1cc(C(=O)[O-])ccc1F ZINC001599237800 997977222 /nfs/dbraw/zinc/97/72/22/997977222.db2.gz BVXWZKRJRHDGLZ-UHFFFAOYSA-N -1 0 345.414 3.789 20 0 EHADRM CC12CC3(C)CC(C)(C1)CC(C(=O)OCc1cc(C(=O)[O-])no1)(C2)C3 ZINC001594085626 998005271 /nfs/dbraw/zinc/00/52/71/998005271.db2.gz ODJRILULLYVELT-UHFFFAOYSA-N -1 0 347.411 3.803 20 0 EHADRM COc1ccc(C[C@@H](C)N(C)c2nc(Cl)c(C(=O)[O-])s2)cc1 ZINC001599551522 998014365 /nfs/dbraw/zinc/01/43/65/998014365.db2.gz VJRFOZWZNYUQKC-SECBINFHSA-N -1 0 340.832 3.571 20 0 EHADRM Cc1ccc(-c2ccc([C@@H]3NC(=O)N(C)C(C)=C3C(=O)[O-])s2)cc1 ZINC001594095199 998062757 /nfs/dbraw/zinc/06/27/57/998062757.db2.gz DHLGTEIYMSGMHL-INIZCTEOSA-N -1 0 342.420 3.778 20 0 EHADRM COc1cc(OC)c(OC)cc1CSCc1cccc(C(=O)[O-])c1 ZINC001599449463 998066720 /nfs/dbraw/zinc/06/67/20/998066720.db2.gz AZTBFUXOCREKGV-UHFFFAOYSA-N -1 0 348.420 3.844 20 0 EHADRM Cc1ccc(N2C(=O)N[C@@H](c3ccccc3)C(C(=O)[O-])=C2C)c(C)c1 ZINC001594098638 998084072 /nfs/dbraw/zinc/08/40/72/998084072.db2.gz XHFYCHMFQDVPGA-SFHVURJKSA-N -1 0 336.391 3.933 20 0 EHADRM COc1cc(OC)cc([C@@H](N[C@H](C)c2cc(C)sc2C)C(=O)[O-])c1 ZINC001599452413 998127040 /nfs/dbraw/zinc/12/70/40/998127040.db2.gz HHJIZAIHKDWYNA-PIGZYNQJSA-N -1 0 349.452 3.859 20 0 EHADRM COC(=O)c1cc(OC(=O)CCCC2CCCCC2)cc(C(=O)[O-])c1 ZINC001598950395 998140392 /nfs/dbraw/zinc/14/03/92/998140392.db2.gz WAQRCMJRAXVBRL-UHFFFAOYSA-N -1 0 348.395 3.827 20 0 EHADRM COC(=O)c1cc(OC(=O)[C@]2(C)CCC(C)=C(C)C2)cc(C(=O)[O-])c1 ZINC001598950496 998142054 /nfs/dbraw/zinc/14/20/54/998142054.db2.gz ZZHAQYSFODGDTL-LJQANCHMSA-N -1 0 346.379 3.603 20 0 EHADRM COC(=O)c1cc(OCc2csc(C(C)(C)C)n2)cc(C(=O)[O-])c1 ZINC001598952135 998173894 /nfs/dbraw/zinc/17/38/94/998173894.db2.gz URYAPSNTIALMCY-UHFFFAOYSA-N -1 0 349.408 3.504 20 0 EHADRM CC1=C(C)C[C@@H](C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)CC1 ZINC001594110347 998208777 /nfs/dbraw/zinc/20/87/77/998208777.db2.gz UJVVIEQMKWUTMO-SWLSCSKDSA-N -1 0 339.794 3.858 20 0 EHADRM CC1=CC[C@](C)(c2nc(COc3cccc(C(=O)[O-])c3)no2)CC1 ZINC001594113666 998229689 /nfs/dbraw/zinc/22/96/89/998229689.db2.gz PWQHHBGEFBIWLE-SFHVURJKSA-N -1 0 328.368 3.735 20 0 EHADRM COCCOCc1cccc(N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)c1 ZINC001599252721 998259928 /nfs/dbraw/zinc/25/99/28/998259928.db2.gz MGJJCCUBKISBQQ-QGZVFWFLSA-N -1 0 349.814 3.741 20 0 EHADRM COCCOc1cc(C(=O)[O-])ccc1NC(=O)C[C@@H]1CCCC[C@H]1C ZINC001599253725 998276097 /nfs/dbraw/zinc/27/60/97/998276097.db2.gz OATFESVFXAOUEC-KGLIPLIRSA-N -1 0 349.427 3.565 20 0 EHADRM COC(=O)c1cc2ccc(OCc3ccc(F)cc3C(=O)[O-])cc2o1 ZINC001598957954 998278929 /nfs/dbraw/zinc/27/89/29/998278929.db2.gz QEFXRJOLPNIWFY-UHFFFAOYSA-N -1 0 344.294 3.636 20 0 EHADRM C[C@H]1C(=O)CC[C@@H](C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C1(C)C ZINC001594122667 998286427 /nfs/dbraw/zinc/28/64/27/998286427.db2.gz QLDVOXBTKKXBHO-ZANVPECISA-N -1 0 337.803 3.618 20 0 EHADRM COc1ccc(CNC(=O)N[C@@H](C)C2CCCCCC2)cc1C(=O)[O-] ZINC001599566994 998302575 /nfs/dbraw/zinc/30/25/75/998302575.db2.gz JLARQMGRTYFWCW-ZDUSSCGKSA-N -1 0 348.443 3.552 20 0 EHADRM COC[C@H](C)[C@H](C)C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001599157730 998402729 /nfs/dbraw/zinc/40/27/29/998402729.db2.gz JHHJBORVRWXFSR-RVBZMBCESA-N -1 0 349.210 3.581 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)Sc1ccc(F)cc1 ZINC001599371477 998416903 /nfs/dbraw/zinc/41/69/03/998416903.db2.gz QYXPIQSPXNJAQS-SNVBAGLBSA-N -1 0 349.383 3.652 20 0 EHADRM COc1ccc(-c2csc(CNc3nccc(C(=O)[O-])n3)c2)cc1 ZINC001599469251 998420594 /nfs/dbraw/zinc/42/05/94/998420594.db2.gz OHQQZWCFOWFGRQ-UHFFFAOYSA-N -1 0 341.392 3.524 20 0 EHADRM COCCc1nc2cc(N[C@@H](C)c3cc(C(=O)[O-])cs3)ccc2o1 ZINC001599265194 998456072 /nfs/dbraw/zinc/45/60/72/998456072.db2.gz JAEHWPGJXIPCHD-JTQLQIEISA-N -1 0 346.408 3.950 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1[nH]ccc1-c1ccccc1 ZINC001599374027 998458498 /nfs/dbraw/zinc/45/84/98/998458498.db2.gz IIMFOMOZOMVLHL-UHFFFAOYSA-N -1 0 336.347 3.641 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)NCC1(C)CCC(C)CC1 ZINC001599374224 998460475 /nfs/dbraw/zinc/46/04/75/998460475.db2.gz XTWBZLHECKHIRO-UHFFFAOYSA-N -1 0 334.416 3.731 20 0 EHADRM COC[C@H](C)OC(=O)Oc1cc(-c2ccccc2)sc1C(=O)[O-] ZINC001599161164 998460907 /nfs/dbraw/zinc/46/09/07/998460907.db2.gz UHZMLLGOVYGRRA-JTQLQIEISA-N -1 0 336.365 3.664 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(-c2ccco2)s1 ZINC001599374358 998463109 /nfs/dbraw/zinc/46/31/09/998463109.db2.gz ODKTWFOKUCCKGN-UHFFFAOYSA-N -1 0 343.360 3.967 20 0 EHADRM COc1cc(C(=O)[O-])ccc1N[C@H](C)c1nnc(-c2cccs2)o1 ZINC001599374900 998470580 /nfs/dbraw/zinc/47/05/80/998470580.db2.gz CVBZGPMOWQAQRQ-SECBINFHSA-N -1 0 345.380 3.678 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=S)Nc1ccc(C)cc1C ZINC001599374940 998471907 /nfs/dbraw/zinc/47/19/07/998471907.db2.gz DIWQJLYXYHMFJN-UHFFFAOYSA-N -1 0 330.409 3.819 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=S)Nc1cc(C)ccc1C ZINC001599375309 998475907 /nfs/dbraw/zinc/47/59/07/998475907.db2.gz JBLGDKQBFPHBMG-UHFFFAOYSA-N -1 0 330.409 3.819 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NCC(=O)Nc1ccc(C(C)C)cc1 ZINC001599376035 998487499 /nfs/dbraw/zinc/48/74/99/998487499.db2.gz UZXVFPDFWBSVDC-UHFFFAOYSA-N -1 0 342.395 3.567 20 0 EHADRM COc1ccc(-n2c3ccccc3nc2SCCCC(=O)[O-])cc1 ZINC001599474207 998501015 /nfs/dbraw/zinc/50/10/15/998501015.db2.gz XUKVLBDAKARHRV-UHFFFAOYSA-N -1 0 342.420 3.991 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@H](C)c1cc2ccccc2o1 ZINC001599377654 998513784 /nfs/dbraw/zinc/51/37/84/998513784.db2.gz IUYSFDWXHGUKMK-LLVKDONJSA-N -1 0 340.331 3.849 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)Nc1ccc(-c2ccccc2)cc1F ZINC001594152427 998540075 /nfs/dbraw/zinc/54/00/75/998540075.db2.gz HEWXNQMSJPEWCO-IUODEOHRSA-N -1 0 342.370 3.820 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC001594158585 998587002 /nfs/dbraw/zinc/58/70/02/998587002.db2.gz JMEREQHYVNRSGB-BNOWGMLFSA-N -1 0 349.496 3.834 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC001594174720 998670028 /nfs/dbraw/zinc/67/00/28/998670028.db2.gz TUOZEFKWDVCHRN-HNHYXYPQSA-N -1 0 330.767 3.993 20 0 EHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@H]1Nc1ccc(OCC(F)(F)F)cc1 ZINC001594184281 998714699 /nfs/dbraw/zinc/71/46/99/998714699.db2.gz IJMWTVMRIXFKBP-JTNHKYCSSA-N -1 0 331.334 3.929 20 0 EHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@H]1Nc1ccc(Oc2cccnn2)cc1 ZINC001594185279 998717946 /nfs/dbraw/zinc/71/79/46/998717946.db2.gz OHDCDPPYLUAFCR-XJKCOSOUSA-N -1 0 327.384 3.570 20 0 EHADRM COC(=O)c1cccc(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])c1 ZINC001598992102 998746997 /nfs/dbraw/zinc/74/69/97/998746997.db2.gz HYRFKSNGCQVNTH-UHFFFAOYSA-N -1 0 349.342 3.577 20 0 EHADRM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1C(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC001594206159 998793206 /nfs/dbraw/zinc/79/32/06/998793206.db2.gz PSCZRYKHLGKUME-RKDXNWHRSA-N -1 0 347.308 3.558 20 0 EHADRM CC(C)[C@@H]1CCc2[n-]n(-c3cc(C(F)(F)F)ccn3)c(=O)c2C1 ZINC000634608904 1016248069 /nfs/dbraw/zinc/24/80/69/1016248069.db2.gz PRMKFZMYJAXJGK-ZYHUDNBSSA-N -1 0 325.334 3.875 20 0 EHADRM C[C@H]1C[C@H](CNC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C[C@@H](C)C1 ZINC001594223135 998860230 /nfs/dbraw/zinc/86/02/30/998860230.db2.gz NPECJZAUVNFQES-URLYPYJESA-N -1 0 340.370 3.857 20 0 EHADRM C[C@@H]1C[C@@H](CC(=O)N[C@](C)(CC(=O)[O-])c2ccccn2)CC(C)(C)C1 ZINC001594232689 998887247 /nfs/dbraw/zinc/88/72/47/998887247.db2.gz PLTNEMDCDZUOPO-QEEYODRMSA-N -1 0 346.471 3.740 20 0 EHADRM CO[C@@H](C(=O)[O-])c1ccccc1OCCOc1ccc(Cl)cc1 ZINC001599026023 999016969 /nfs/dbraw/zinc/01/69/69/999016969.db2.gz HVFCYYKJKSRRBW-MRXNPFEDSA-N -1 0 336.771 3.570 20 0 EHADRM CO[C@@H](C(=O)Nc1ccc(SC)c(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001599026026 999016978 /nfs/dbraw/zinc/01/69/78/999016978.db2.gz BDMVSQYGCPHPJH-OAHLLOKOSA-N -1 0 349.383 3.572 20 0 EHADRM CO[C@H](C(=O)[O-])c1ccccc1OCCOc1ccc(SC)cc1 ZINC001599026329 999018511 /nfs/dbraw/zinc/01/85/11/999018511.db2.gz KLTQGLKGSQCDCP-KRWDZBQOSA-N -1 0 348.420 3.638 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)N(C(=O)/C=C\c2ccc(C(=O)[O-])o2)C1 ZINC001594268808 999039684 /nfs/dbraw/zinc/03/96/84/999039684.db2.gz CFTCFOGBBKRBSL-LSCCZHGCSA-N -1 0 325.364 3.601 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2cc(F)cc(C(=O)[O-])c2)C1 ZINC001594269657 999042184 /nfs/dbraw/zinc/04/21/84/999042184.db2.gz LWARAZPSWOUBPB-SJKOYZFVSA-N -1 0 327.355 3.747 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001594270736 999046990 /nfs/dbraw/zinc/04/69/90/999046990.db2.gz ZUNJMJLBMIEHMO-IOASZLSFSA-N -1 0 339.395 3.578 20 0 EHADRM C[C@H]1C[C@@H]1c1cc(NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)n[nH]1 ZINC001594278230 999077187 /nfs/dbraw/zinc/07/71/87/999077187.db2.gz WIBYPWCPTMOBNO-CPCISQLKSA-N -1 0 334.763 3.529 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CN(Cc2ncc(C(=O)[O-])s2)C2CC2)o1 ZINC001594279878 999086023 /nfs/dbraw/zinc/08/60/23/999086023.db2.gz MOFCCOXZAYKENC-ZWNOBZJWSA-N -1 0 332.425 3.722 20 0 EHADRM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)N(Cc1ccccc1)C(C)(C)C(=O)[O-] ZINC001594287177 999111217 /nfs/dbraw/zinc/11/12/17/999111217.db2.gz UZTUETGXJARGDQ-DZUCGIPZSA-N -1 0 329.440 3.561 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)C[C@H]1C ZINC001594292253 999127205 /nfs/dbraw/zinc/12/72/05/999127205.db2.gz OSWHPZKTOWNFOC-DSKWVYQCSA-N -1 0 341.810 3.793 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001594293586 999132948 /nfs/dbraw/zinc/13/29/48/999132948.db2.gz WRPZOZGVBSLOCU-DVOMOZLQSA-N -1 0 345.443 3.636 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C[C@@H]1C ZINC001594295182 999135562 /nfs/dbraw/zinc/13/55/62/999135562.db2.gz FBXXBIQNDINWBI-QLFBSQMISA-N -1 0 344.455 3.996 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001594298321 999150672 /nfs/dbraw/zinc/15/06/72/999150672.db2.gz HEWXWAQEDSRZBO-WDAVICARSA-N -1 0 333.428 3.816 20 0 EHADRM C[C@@H]1CC[C@H](CC(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)C1 ZINC001594301722 999165016 /nfs/dbraw/zinc/16/50/16/999165016.db2.gz FWZHQXQEIHJVIB-WBVHZDCISA-N -1 0 343.467 3.992 20 0 EHADRM C[C@@H]1CC[C@@H](CC(=O)Nc2cc(Br)ccc2C(=O)[O-])C1 ZINC001594302263 999168706 /nfs/dbraw/zinc/16/87/06/999168706.db2.gz NEUFRPWQFFCTSA-NXEZZACHSA-N -1 0 340.217 3.912 20 0 EHADRM C[C@H]1CCC(F)(F)CN1C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001594307496 999187779 /nfs/dbraw/zinc/18/77/79/999187779.db2.gz ZNTQJGNTCZBVGL-LEWSCRJBSA-N -1 0 338.354 3.526 20 0 EHADRM C[C@@H]1CC[C@H](CNC(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC001594307567 999188377 /nfs/dbraw/zinc/18/83/77/999188377.db2.gz BPFVOVQFQGNMLM-KGLIPLIRSA-N -1 0 345.443 3.543 20 0 EHADRM C[C@@H]1CC[C@@](NC(=O)C[C@@H]2C=CCCC2)(C(=O)[O-])c2ccccc21 ZINC001594314120 999214505 /nfs/dbraw/zinc/21/45/05/999214505.db2.gz ONCUMFYEMAVZCQ-SXGZJXTBSA-N -1 0 327.424 3.726 20 0 EHADRM C[C@@H]1CC[C@@H](Nc2cc(I)cc(C(=O)[O-])c2)C1 ZINC001594327500 999258863 /nfs/dbraw/zinc/25/88/63/999258863.db2.gz YOJLYAVSXXJLKR-LDYMZIIASA-N -1 0 345.180 3.590 20 0 EHADRM CO[C@H](COc1ccc(C(=O)[O-])cc1Br)CC(C)C ZINC001599059088 999252288 /nfs/dbraw/zinc/25/22/88/999252288.db2.gz UQSLHHRPZSPCAC-NSHDSACASA-N -1 0 331.206 3.587 20 0 EHADRM C[C@H]1CC[C@H](c2ccccc2)N(C(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001594329931 999267867 /nfs/dbraw/zinc/26/78/67/999267867.db2.gz GUWXCUYMFPIYPM-XJKSGUPXSA-N -1 0 339.395 3.785 20 0 EHADRM CO[C@H](c1ccccc1Cl)[C@H](C)Nc1cc(CC(=O)[O-])ccn1 ZINC001599064293 999288309 /nfs/dbraw/zinc/28/83/09/999288309.db2.gz VUHUWJHWCSWQOF-GTNSWQLSSA-N -1 0 334.803 3.550 20 0 EHADRM C[C@@H]1CCC[C@H](C2CN(C(=O)CCc3ccccc3C(=O)[O-])C2)C1 ZINC001594345472 999307585 /nfs/dbraw/zinc/30/75/85/999307585.db2.gz VIWBXJOMVZEYAV-ZBFHGGJFSA-N -1 0 329.440 3.602 20 0 EHADRM C[C@H]1CCC[C@@H]1CC(=O)Oc1ccc(Br)cc1C(=O)[O-] ZINC001594360443 999362659 /nfs/dbraw/zinc/36/26/59/999362659.db2.gz VBDCCWMLZMISQM-VHSXEESVSA-N -1 0 341.201 3.879 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000655565602 1016310309 /nfs/dbraw/zinc/31/03/09/1016310309.db2.gz YOQGHJRLPQOGOX-LBPRGKRZSA-N -1 0 329.849 3.539 20 0 EHADRM C[C@H]1CCCC[C@@H]1NC(=S)Nc1ccc2c(c1)[nH]cc2C(=O)[O-] ZINC001594369835 999392554 /nfs/dbraw/zinc/39/25/54/999392554.db2.gz APHUMUGPARBMAA-HZMBPMFUSA-N -1 0 331.441 3.731 20 0 EHADRM C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001594388094 999468898 /nfs/dbraw/zinc/46/88/98/999468898.db2.gz HNBKKGGZUMLUPC-PXAZEXFGSA-N -1 0 339.395 3.615 20 0 EHADRM C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001594388457 999470598 /nfs/dbraw/zinc/47/05/98/999470598.db2.gz LAPBYTAERASDRE-NRCFRPPOSA-N -1 0 339.391 3.821 20 0 EHADRM C[C@@H]1CCN(C(=O)Cc2cccc(C(=O)[O-])c2)c2ccccc2S1 ZINC001594402096 999505545 /nfs/dbraw/zinc/50/55/45/999505545.db2.gz OSLIHVXXNNNEQS-CYBMUJFWSA-N -1 0 341.432 3.845 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC[C@@H]3CCC[C@@H]32)n1 ZINC000084405719 1016447520 /nfs/dbraw/zinc/44/75/20/1016447520.db2.gz ADUBHQRIFRIHAO-HOTGVXAUSA-N -1 0 339.439 3.545 20 0 EHADRM C[C@@H]1C[C@H](C)[C@@H](C(=O)Nc2cc(Br)cc(Cl)c2[O-])O1 ZINC000407966414 1016539943 /nfs/dbraw/zinc/53/99/43/1016539943.db2.gz PHPWKTYGHMYYDB-KJNMHVQDSA-N -1 0 348.624 3.560 20 0 EHADRM COc1ccc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c2ccccc12 ZINC000166135225 1016585005 /nfs/dbraw/zinc/58/50/05/1016585005.db2.gz MHJKRBOKVNOBJW-UHFFFAOYSA-N -1 0 338.319 3.715 20 0 EHADRM Cc1cc(Br)c(O)c(NC(=O)c2ccc(C)nc2C)c1 ZINC000182919430 1032148801 /nfs/dbraw/zinc/14/88/01/1032148801.db2.gz KAUWVEBYKNZPFC-UHFFFAOYSA-N -1 0 335.201 3.727 20 0 EHADRM Cc1cccc2sc(C(=O)N[C@@H]3CCC[C@@H]3C(=O)[O-])c(Cl)c21 ZINC000648347790 1016727737 /nfs/dbraw/zinc/72/77/37/1016727737.db2.gz PQYYWBNIHDRSKH-VHSXEESVSA-N -1 0 337.828 3.846 20 0 EHADRM CCCCC[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(F)c1)C(C)C ZINC000785245535 1016771740 /nfs/dbraw/zinc/77/17/40/1016771740.db2.gz JIGLNVWVTJQCEL-MRXNPFEDSA-N -1 0 343.464 3.624 20 0 EHADRM CN(C(=O)c1cc(Oc2ccccc2)ccc1O)[C@H]1CCSC1 ZINC000179997805 1016882438 /nfs/dbraw/zinc/88/24/38/1016882438.db2.gz NKJJTRPSTJGEEZ-ZDUSSCGKSA-N -1 0 329.421 3.762 20 0 EHADRM C[C@@H]1[C@@H](C(=O)N=c2nc(-c3ccccc3)[n-]s2)[C@@H]1c1ccccc1 ZINC000430412890 1016930638 /nfs/dbraw/zinc/93/06/38/1016930638.db2.gz YKDHRTCFDOCFOK-VBNZEHGJSA-N -1 0 335.432 3.615 20 0 EHADRM C[C@H](NC(=O)c1c(Cl)cccc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655585189 1016980763 /nfs/dbraw/zinc/98/07/63/1016980763.db2.gz UDFNUTLDRTWBIW-LPEHRKFASA-N -1 0 344.238 3.859 20 0 EHADRM Cc1ccc2c(Cl)c(C(=O)NCC3(C(=O)[O-])CCC3)sc2c1 ZINC000659784229 1017012281 /nfs/dbraw/zinc/01/22/81/1017012281.db2.gz CKQQQRKSSDDDEK-UHFFFAOYSA-N -1 0 337.828 3.848 20 0 EHADRM Cc1c2ccccc2nc(N2CCC(c3ccon3)CC2)c1C(=O)[O-] ZINC000659787600 1017019017 /nfs/dbraw/zinc/01/90/17/1017019017.db2.gz NBNLZVCNLDXOHS-UHFFFAOYSA-N -1 0 337.379 3.613 20 0 EHADRM CN(Cc1csc(-c2cccc(C(=O)[O-])c2)n1)CC1=CCSC1 ZINC000659804697 1017049456 /nfs/dbraw/zinc/04/94/56/1017049456.db2.gz DCZIROAZQTWSSN-UHFFFAOYSA-N -1 0 346.477 3.613 20 0 EHADRM CSc1cc(C(=O)N(CC(=O)[O-])C2CCC2)c(Cl)cc1Cl ZINC000655591175 1017063423 /nfs/dbraw/zinc/06/34/23/1017063423.db2.gz YQKLKFCOSDLOHF-UHFFFAOYSA-N -1 0 348.251 3.795 20 0 EHADRM COc1ccc([C@H](C)N(C)C(=O)c2cc(F)c(F)c([O-])c2F)cc1 ZINC000183357167 1032165593 /nfs/dbraw/zinc/16/55/93/1032165593.db2.gz MFOMTRWQSHGSCN-VIFPVBQESA-N -1 0 339.313 3.651 20 0 EHADRM N=c1[n-]nc(-c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)o1 ZINC000461049224 1032228260 /nfs/dbraw/zinc/22/82/60/1032228260.db2.gz BVVIOSABJXFTDG-UHFFFAOYSA-N -1 0 335.285 3.747 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@H]2CCC(=O)[O-])o1 ZINC000449136919 1032232477 /nfs/dbraw/zinc/23/24/77/1032232477.db2.gz CWLBTBSDPFHILT-LYYZXLFJSA-N -1 0 345.439 3.752 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@@H]2CCC(=O)[O-])o1 ZINC000449136917 1032233358 /nfs/dbraw/zinc/23/33/58/1032233358.db2.gz CWLBTBSDPFHILT-IBEHDNSVSA-N -1 0 345.439 3.752 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)CCCCC(=O)c1ccccc1 ZINC000449145317 1032248597 /nfs/dbraw/zinc/24/85/97/1032248597.db2.gz WXYJRSQRKZDVHX-KRWDZBQOSA-N -1 0 345.439 3.676 20 0 EHADRM Cc1cccc(-c2cccc(CNC(=O)N(C)CCCC(=O)[O-])c2)c1 ZINC000414621037 1017072478 /nfs/dbraw/zinc/07/24/78/1017072478.db2.gz UTOPIWWRUJQVLR-UHFFFAOYSA-N -1 0 340.423 3.668 20 0 EHADRM CC(C)(C)c1csc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)n1 ZINC000905012213 1032318343 /nfs/dbraw/zinc/31/83/43/1032318343.db2.gz FSWKRJPZNNXMBL-UONOGXRCSA-N -1 0 330.453 3.843 20 0 EHADRM CSC1CCC(CNC(=O)[C@](C)(CC(=O)[O-])CC(C)C)CC1 ZINC000905127118 1032356180 /nfs/dbraw/zinc/35/61/80/1032356180.db2.gz MEFGRJSWYPBWGV-KVULBXGLSA-N -1 0 329.506 3.552 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)N[C@H]1CCc2cccc3cccc1c32 ZINC000905126573 1032356476 /nfs/dbraw/zinc/35/64/76/1032356476.db2.gz RFMLMFFCQSVKBW-RYRKJORJSA-N -1 0 335.403 3.610 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)Nc1ccccc1COC(C)(C)C)C(=O)[O-] ZINC000905130681 1032358230 /nfs/dbraw/zinc/35/82/30/1032358230.db2.gz ICHLBDBSCQKURP-NWDGAFQWSA-N -1 0 339.457 3.535 20 0 EHADRM COCC[C@@H](N=c1[n-]c(-c2ccc(C)cc2)no1)c1ccc(C)o1 ZINC000485192798 1032382808 /nfs/dbraw/zinc/38/28/08/1032382808.db2.gz BQUWRBKQLMXWJT-OAHLLOKOSA-N -1 0 327.384 3.558 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2cccc3ccccc32)nc1 ZINC000083955199 1032409138 /nfs/dbraw/zinc/40/91/38/1032409138.db2.gz GPBBXIGFSGTDPH-UHFFFAOYSA-N -1 0 330.434 3.758 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1ncc(C2CCCCC2)s1 ZINC000263017571 1032409710 /nfs/dbraw/zinc/40/97/10/1032409710.db2.gz IQJKHIDKHWZQFY-UHFFFAOYSA-N -1 0 339.461 3.956 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cncc3ccccc32)CCCCCC1 ZINC000396424219 1032432728 /nfs/dbraw/zinc/43/27/28/1032432728.db2.gz KUCRKMKVGWEYDG-UHFFFAOYSA-N -1 0 326.396 3.989 20 0 EHADRM CCCOc1ccc(CNc2cccc(CC(=O)[O-])c2)cc1OC ZINC000414635383 1017083498 /nfs/dbraw/zinc/08/34/98/1017083498.db2.gz GMGXTPAHBDKRNG-UHFFFAOYSA-N -1 0 329.396 3.723 20 0 EHADRM CO[C@@H](C)c1nc(=NC(c2cccs2)c2cccs2)s[n-]1 ZINC000376763540 1017085818 /nfs/dbraw/zinc/08/58/18/1017085818.db2.gz GVCMLYXNWDZEAI-VIFPVBQESA-N -1 0 337.495 3.992 20 0 EHADRM C/C=C/C[C@@H](NC(=O)Nc1ccc2c(ccn2CCC)c1)C(=O)[O-] ZINC000579912007 1017098284 /nfs/dbraw/zinc/09/82/84/1017098284.db2.gz SDQONOKJUNLEGC-SJDLMVEWSA-N -1 0 329.400 3.592 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1C ZINC000537196140 1032553547 /nfs/dbraw/zinc/55/35/47/1032553547.db2.gz VYWRJPZOWSXQIO-VIFPVBQESA-N -1 0 345.827 3.756 20 0 EHADRM CSCc1cccc(CNC(=O)c2c(C)ccc(C)c2C(=O)[O-])c1 ZINC000601991878 1032584665 /nfs/dbraw/zinc/58/46/65/1032584665.db2.gz OWPKCALERSMBHN-UHFFFAOYSA-N -1 0 343.448 3.795 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1ccc(-c2ccco2)cc1F ZINC000601993610 1032584807 /nfs/dbraw/zinc/58/48/07/1032584807.db2.gz SQEPEESKYUDARD-ZJUUUORDSA-N -1 0 337.372 3.619 20 0 EHADRM CC(C)c1cc(Cl)ccc1NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-] ZINC000601995087 1032587408 /nfs/dbraw/zinc/58/74/08/1032587408.db2.gz QXAXDEHNECSGGL-ZJUUUORDSA-N -1 0 329.849 3.997 20 0 EHADRM O=C(CC/C=C/c1ccccc1)N=c1nc(Cc2ccccc2)[n-]s1 ZINC000606196381 1032602372 /nfs/dbraw/zinc/60/23/72/1032602372.db2.gz MRFRKUJUSRCHRQ-YRNVUSSQSA-N -1 0 349.459 3.983 20 0 EHADRM O=C(c1n[n-]c2ccccc2c1=O)N1CCCCC[C@H]1c1ccccc1 ZINC000172375913 1032628018 /nfs/dbraw/zinc/62/80/18/1032628018.db2.gz MRAKUCHHZDKXJC-SFHVURJKSA-N -1 0 347.418 3.681 20 0 EHADRM CSc1ccc(-c2ccc(CN3C(=O)CC[C@H]3C(=O)[O-])cc2)cc1 ZINC000515339254 1032628987 /nfs/dbraw/zinc/62/89/87/1032628987.db2.gz DLZQWCPBHBLPNQ-KRWDZBQOSA-N -1 0 341.432 3.651 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1cc2ccccc2s1 ZINC000592982354 1032649658 /nfs/dbraw/zinc/64/96/58/1032649658.db2.gz MJRXOBJJHFAWRZ-YUTCNCBUSA-N -1 0 329.421 3.746 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N2CCC[C@H](C)CC2)s1 ZINC000471351341 1017157651 /nfs/dbraw/zinc/15/76/51/1017157651.db2.gz WMHGCJQPKLTVLI-NSHDSACASA-N -1 0 348.447 3.728 20 0 EHADRM Cc1cc(F)ccc1C(=O)/C=C/c1ccc(OCCC(=O)[O-])cc1 ZINC000066746411 1017180202 /nfs/dbraw/zinc/18/02/02/1017180202.db2.gz AZOPIKYNTQEVPM-RUDMXATFSA-N -1 0 328.339 3.884 20 0 EHADRM Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2Cl)sc1C ZINC000547894454 1017201395 /nfs/dbraw/zinc/20/13/95/1017201395.db2.gz XKEPOOHTXOMESY-UHFFFAOYSA-N -1 0 345.829 3.517 20 0 EHADRM CN(C[C@@H]1CCCC[C@H]1O)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000183452348 1017332040 /nfs/dbraw/zinc/33/20/40/1017332040.db2.gz CWSMKBDVNWGNRQ-YVEFUNNKSA-N -1 0 347.842 3.822 20 0 EHADRM CCn1c(-c2cccc3ccccc32)n[n-]c1=Nc1c(C)n[nH]c1C ZINC000460254300 1032703114 /nfs/dbraw/zinc/70/31/14/1032703114.db2.gz KSNIBMOLLKRCDK-UHFFFAOYSA-N -1 0 332.411 3.624 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)N[C@@H](CC(=O)[O-])C1CCCCC1 ZINC000537402247 1032704287 /nfs/dbraw/zinc/70/42/87/1032704287.db2.gz FBIFVDVAJAPYFN-KDOFPFPSSA-N -1 0 349.446 3.934 20 0 EHADRM Cc1ccc(Cc2n[n-]c(=NC(=O)N3C[C@@H](C)CC3(C)C)s2)cc1 ZINC000472745213 1017693692 /nfs/dbraw/zinc/69/36/92/1017693692.db2.gz DLWIWEJBHABTRY-ZDUSSCGKSA-N -1 0 344.484 3.512 20 0 EHADRM CC(C)c1nc(=N[C@@H](C)c2ccc(-n3cccn3)c(F)c2)s[n-]1 ZINC000549244131 1017799978 /nfs/dbraw/zinc/79/99/78/1017799978.db2.gz CWJAKOMJIPRKOJ-NSHDSACASA-N -1 0 331.420 3.581 20 0 EHADRM COc1ccnc2c(NC(=O)c3cc(F)c([O-])c(Cl)c3)cccc12 ZINC000683630169 1017808873 /nfs/dbraw/zinc/80/88/73/1017808873.db2.gz CIHKDBFASGVRCP-UHFFFAOYSA-N -1 0 346.745 3.994 20 0 EHADRM CC(C)CC[C@@H]1CCCN1C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655903156 1017889326 /nfs/dbraw/zinc/88/93/26/1017889326.db2.gz YXPJFCVUVYDQJA-FXUDXRNXSA-N -1 0 338.492 3.732 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1cc2cccc(F)c2o1 ZINC000574138338 1032730487 /nfs/dbraw/zinc/73/04/87/1032730487.db2.gz DDYUCUKQNOACNJ-NEPJUHHUSA-N -1 0 348.374 3.529 20 0 EHADRM CC(C)(CC(=O)N1Cc2ccccc2C[C@H]1c1ccccc1)C(=O)[O-] ZINC000377564565 1017997133 /nfs/dbraw/zinc/99/71/33/1017997133.db2.gz NVBSVXJNNDJDIT-SFHVURJKSA-N -1 0 337.419 3.814 20 0 EHADRM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCC1CCCCC1 ZINC000075284675 1018004758 /nfs/dbraw/zinc/00/47/58/1018004758.db2.gz CILPYCWWRHSEGA-GOSISDBHSA-N -1 0 342.439 3.640 20 0 EHADRM Cc1cc(=NC(=O)c2ccc(O[C@@H](C)c3ccccc3)cc2)[n-]nc1C ZINC000472809574 1018031892 /nfs/dbraw/zinc/03/18/92/1018031892.db2.gz OOLIPGLQNYBOIH-INIZCTEOSA-N -1 0 347.418 3.908 20 0 EHADRM Cc1csc(Sc2ccc(NC(=O)[C@H](C)C(=O)[O-])c(C)c2)n1 ZINC000584533339 1018097569 /nfs/dbraw/zinc/09/75/69/1018097569.db2.gz XHHQYADQMJTOOB-JTQLQIEISA-N -1 0 336.438 3.570 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N2CCc3cccc(F)c3[C@H]2C)s1 ZINC000606543940 1032744007 /nfs/dbraw/zinc/74/40/07/1032744007.db2.gz PCFIHPMOUCKHBM-LLVKDONJSA-N -1 0 348.447 3.593 20 0 EHADRM C[C@H](O)c1cccc(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)c1 ZINC001210515740 1018141648 /nfs/dbraw/zinc/14/16/48/1018141648.db2.gz TXWRNBYMRRARGA-LBPRGKRZSA-N -1 0 343.404 3.883 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2C[C@@H](c3ccccc3C)C[C@H]2C)s1 ZINC000606545912 1032746256 /nfs/dbraw/zinc/74/62/56/1032746256.db2.gz IMRIBGMQXXJYPO-KGLIPLIRSA-N -1 0 344.484 3.631 20 0 EHADRM CC[C@@H](C)[C@H]1CCCCN1C(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000606555309 1032749170 /nfs/dbraw/zinc/74/91/70/1032749170.db2.gz AOCARHGBFDQGES-VXGBXAGGSA-N -1 0 334.445 3.653 20 0 EHADRM CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1nc(=O)c2sccc2[n-]1 ZINC000275729675 1018374056 /nfs/dbraw/zinc/37/40/56/1018374056.db2.gz UFOAXWOIUHZUOM-HNNXBMFYSA-N -1 0 343.452 3.989 20 0 EHADRM O=c1nc(-c2cc(F)cc(F)c2)[n-]c2c(-c3ccccc3)nsc21 ZINC000548030064 1018389658 /nfs/dbraw/zinc/38/96/58/1018389658.db2.gz NZEVPAHXFDBBPT-UHFFFAOYSA-N -1 0 341.342 3.992 20 0 EHADRM O=C([O-])[C@H]1CC[C@@H](C(=O)Nc2cccc(-c3cccc(Cl)c3)c2)O1 ZINC000340580357 1018574544 /nfs/dbraw/zinc/57/45/44/1018574544.db2.gz HOXWLLAGYDSONP-JKSUJKDBSA-N -1 0 345.782 3.578 20 0 EHADRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2cnn(C(C)C)c2)c1 ZINC000571424669 1018931702 /nfs/dbraw/zinc/93/17/02/1018931702.db2.gz JGCIZHNJBXCWEV-UHFFFAOYSA-N -1 0 341.864 3.871 20 0 EHADRM CSc1cccc(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])c1 ZINC000323943995 1018947177 /nfs/dbraw/zinc/94/71/77/1018947177.db2.gz UWKYVXYCXDXUNG-HNNXBMFYSA-N -1 0 336.457 3.954 20 0 EHADRM Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(OC(C)(C)C)cc2)s1 ZINC000433508544 1019028902 /nfs/dbraw/zinc/02/89/02/1019028902.db2.gz WZILWJUYGGWVOS-UHFFFAOYSA-N -1 0 340.470 3.738 20 0 EHADRM Cn1ncc(Br)c1Nc1cc(Cl)c([O-])c(Cl)c1 ZINC001210924871 1019048399 /nfs/dbraw/zinc/04/83/99/1019048399.db2.gz VKSNKQNBPPTZAQ-UHFFFAOYSA-N -1 0 337.004 3.939 20 0 EHADRM Cc1ccccc1Nc1nc(C[N@@H+]2CCC[C@](C)(C(=O)[O-])C2)cs1 ZINC000580336773 1019076031 /nfs/dbraw/zinc/07/60/31/1019076031.db2.gz ZQQPTKZDKHSDJG-SFHVURJKSA-N -1 0 345.468 3.882 20 0 EHADRM Cc1ccccc1Nc1nc(C[N@@H+]2CCC[C@@](C)(C(=O)[O-])C2)cs1 ZINC000580336772 1019076114 /nfs/dbraw/zinc/07/61/14/1019076114.db2.gz ZQQPTKZDKHSDJG-GOSISDBHSA-N -1 0 345.468 3.882 20 0 EHADRM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2sc(C)nc2C)cc1 ZINC000433529977 1019085338 /nfs/dbraw/zinc/08/53/38/1019085338.db2.gz WJFGJWUBOKIXAV-JTQLQIEISA-N -1 0 340.470 3.738 20 0 EHADRM CCCCCC[C@H](C)CC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000728971813 1019134717 /nfs/dbraw/zinc/13/47/17/1019134717.db2.gz IKSDWPHZKLRLAD-ZDUSSCGKSA-N -1 0 331.416 3.965 20 0 EHADRM Cc1cc(Cl)cc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)c1 ZINC001167937105 1019242190 /nfs/dbraw/zinc/24/21/90/1019242190.db2.gz RFQPTPRKVAHOBM-UHFFFAOYSA-N -1 0 337.743 3.733 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000237108619 1019362706 /nfs/dbraw/zinc/36/27/06/1019362706.db2.gz MHRLNMUQERIQNB-BFUOFWGJSA-N -1 0 335.444 3.511 20 0 EHADRM Cc1csc([C@H](C)NC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)n1 ZINC000340698010 1019444015 /nfs/dbraw/zinc/44/40/15/1019444015.db2.gz OKWCQOCIHXMSDV-YVEFUNNKSA-N -1 0 338.473 3.690 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)CCc1c(Cl)cccc1Cl ZINC000656234414 1019493830 /nfs/dbraw/zinc/49/38/30/1019493830.db2.gz HQFBLWUKTHGMDG-UHFFFAOYSA-N -1 0 332.227 3.638 20 0 EHADRM O=C([O-])[C@H]1CC[C@H]1C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000262158302 1019551698 /nfs/dbraw/zinc/55/16/98/1019551698.db2.gz PPQPBDCDFSKTGL-SJORKVTESA-N -1 0 331.412 3.585 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)c1ccc(C2SCCCS2)cc1 ZINC000262206916 1019564130 /nfs/dbraw/zinc/56/41/30/1019564130.db2.gz XBAGSESUCRVGLN-NSHDSACASA-N -1 0 339.482 3.538 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)c1ccc(C2SCCCS2)cc1 ZINC000262206915 1019564432 /nfs/dbraw/zinc/56/44/32/1019564432.db2.gz XBAGSESUCRVGLN-LLVKDONJSA-N -1 0 339.482 3.538 20 0 EHADRM CC(C)C[C@H](CNC(=O)CCCc1c(F)cccc1F)CC(=O)[O-] ZINC000656244919 1019566040 /nfs/dbraw/zinc/56/60/40/1019566040.db2.gz VOSXUZPEPAOGEA-ZDUSSCGKSA-N -1 0 341.398 3.541 20 0 EHADRM O=C([O-])C1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)CC1 ZINC000262714152 1019712802 /nfs/dbraw/zinc/71/28/02/1019712802.db2.gz QZCBLUGUOGGAEA-UHFFFAOYSA-N -1 0 349.858 3.865 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)N([C@@H](C)C(=O)[O-])C1CCC1 ZINC000580614335 1019751493 /nfs/dbraw/zinc/75/14/93/1019751493.db2.gz XCJGSXPNBGMOKT-CABCVRRESA-N -1 0 346.471 3.780 20 0 EHADRM CCc1c(C)sc(NC(=O)c2cnn(C(C)C)c2C)c1C(=O)[O-] ZINC000263491128 1019778406 /nfs/dbraw/zinc/77/84/06/1019778406.db2.gz WUHGLHQRCAINFW-UHFFFAOYSA-N -1 0 335.429 3.655 20 0 EHADRM CC(C)[C@H](C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000263014453 1019790747 /nfs/dbraw/zinc/79/07/47/1019790747.db2.gz XMBXDOFJOYPCTK-MSOLQXFVSA-N -1 0 343.398 3.550 20 0 EHADRM CC[C@@H](C(=O)[N-]OCc1cccnc1)c1cccc(C(F)(F)F)c1 ZINC000155812410 1019811256 /nfs/dbraw/zinc/81/12/56/1019811256.db2.gz OUBPTKLQNVUULK-OAHLLOKOSA-N -1 0 338.329 3.842 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)c2cc(C3CC3)no2)c1 ZINC000263156240 1019830570 /nfs/dbraw/zinc/83/05/70/1019830570.db2.gz ODVJSTIOTLVMSR-UHFFFAOYSA-N -1 0 346.408 3.512 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)n[nH]c1C1CC1 ZINC000760323582 1032855957 /nfs/dbraw/zinc/85/59/57/1032855957.db2.gz TVEWZRIXRVEQFA-UHFFFAOYSA-N -1 0 346.239 3.703 20 0 EHADRM CC[C@@H](C(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000263204184 1019838039 /nfs/dbraw/zinc/83/80/39/1019838039.db2.gz YVZDUABRWZOERT-KBXCAEBGSA-N -1 0 341.407 3.521 20 0 EHADRM CC[C@H](C(=O)N[C@H](C)c1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000263204185 1019838140 /nfs/dbraw/zinc/83/81/40/1019838140.db2.gz YVZDUABRWZOERT-KDOFPFPSSA-N -1 0 341.407 3.521 20 0 EHADRM Cc1c(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c2ccccc2n1C ZINC000340743193 1019902438 /nfs/dbraw/zinc/90/24/38/1019902438.db2.gz UJIBWSBOBPWXJA-UHFFFAOYSA-N -1 0 336.363 3.566 20 0 EHADRM C[C@@H](C(=O)[N-]S(=O)(=O)C1CCCCC1)c1ccc2ccccc2c1 ZINC000175959338 1019907769 /nfs/dbraw/zinc/90/77/69/1019907769.db2.gz MKMKNMKYLRIAHM-CQSZACIVSA-N -1 0 345.464 3.722 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1Cc2ccc(Cl)cc2C1 ZINC001299170978 1019948488 /nfs/dbraw/zinc/94/84/88/1019948488.db2.gz FZXAFOZWUNIHTE-UHFFFAOYSA-N -1 0 326.154 3.994 20 0 EHADRM O=C([O-])CC1(CC(=O)NCc2ccccc2OC2CCC2)CCCC1 ZINC000345157244 1019993543 /nfs/dbraw/zinc/99/35/43/1019993543.db2.gz WWHGADLHTDFKKD-UHFFFAOYSA-N -1 0 345.439 3.659 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000236973904 1020068658 /nfs/dbraw/zinc/06/86/58/1020068658.db2.gz XZDCFZYLMLUQJB-QAPCUYQASA-N -1 0 331.456 3.989 20 0 EHADRM CC(C)O[C@H]1CCc2cc(-c3cc(C(=O)[O-])ccc3CO)ccc21 ZINC000580844930 1020136436 /nfs/dbraw/zinc/13/64/36/1020136436.db2.gz VZAGAVUAAIEAKV-IBGZPJMESA-N -1 0 326.392 3.956 20 0 EHADRM COc1ccc(N=c2[n-]nc(-c3ccccn3)s2)cc1OC(C)C ZINC000580913883 1020228408 /nfs/dbraw/zinc/22/84/08/1020228408.db2.gz VFPDIUVYUUGUMF-UHFFFAOYSA-N -1 0 342.424 3.561 20 0 EHADRM O=C([O-])COCCN1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 ZINC000581016932 1020360509 /nfs/dbraw/zinc/36/05/09/1020360509.db2.gz LPJAYTXPXQQAPH-GOSISDBHSA-N -1 0 345.826 3.541 20 0 EHADRM C[C@@H](C(=O)Nc1cc(Cl)c([O-])cc1F)n1cnc2ccccc21 ZINC000345599821 1020394298 /nfs/dbraw/zinc/39/42/98/1020394298.db2.gz CLFBFPOVFUVPRX-VIFPVBQESA-N -1 0 333.750 3.734 20 0 EHADRM COc1ccccc1OCCC(=O)Nc1cc(Cl)c([O-])cc1F ZINC000345638447 1020409581 /nfs/dbraw/zinc/40/95/81/1020409581.db2.gz PNZTZSBVFQJFMM-UHFFFAOYSA-N -1 0 339.750 3.601 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)C1CCC(OC(F)F)CC1 ZINC000345620873 1020415564 /nfs/dbraw/zinc/41/55/64/1020415564.db2.gz CKVZMUFPYHQTHI-UHFFFAOYSA-N -1 0 337.725 3.921 20 0 EHADRM COc1cc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)ccc1C(=O)[O-] ZINC000261729021 1020487042 /nfs/dbraw/zinc/48/70/42/1020487042.db2.gz RNUJNZWKCMTIFR-ZYHUDNBSSA-N -1 0 345.317 3.701 20 0 EHADRM Cc1oc(C(=O)Nc2cc(F)ccc2SCC(F)F)cc1CO ZINC000631400152 1020529147 /nfs/dbraw/zinc/52/91/47/1020529147.db2.gz NKLIBJGWTQPYBR-UHFFFAOYSA-N -1 0 345.342 3.829 20 0 EHADRM CCC[C@H](NC(=O)N[C@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC000780370807 1020546494 /nfs/dbraw/zinc/54/64/94/1020546494.db2.gz PFAPQRNZODQWML-ZWKOTPCHSA-N -1 0 340.423 3.523 20 0 EHADRM CCO[C@@H](C(=O)Nc1cc(C)c(C)c(C(=O)[O-])c1)c1ccccc1 ZINC000345860951 1020563408 /nfs/dbraw/zinc/56/34/08/1020563408.db2.gz ISKCPXPTWCKHCB-QGZVFWFLSA-N -1 0 327.380 3.718 20 0 EHADRM Cc1n[nH]c(C)c1N=c1[n-]nc(-c2cc3ccccc3o2)n1C1CC1 ZINC000581257200 1020597221 /nfs/dbraw/zinc/59/72/21/1020597221.db2.gz WDGDFLZUBOWLOM-UHFFFAOYSA-N -1 0 334.383 3.532 20 0 EHADRM Cc1ccc(CCC(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)o1 ZINC000345901559 1020598036 /nfs/dbraw/zinc/59/80/36/1020598036.db2.gz IDTYCHCAJRXNBZ-OAHLLOKOSA-N -1 0 335.787 3.506 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)NC1CCC(C)(C)CC1 ZINC000581288442 1020635834 /nfs/dbraw/zinc/63/58/34/1020635834.db2.gz OQOHPTSGHZNJLV-AWEZNQCLSA-N -1 0 332.444 3.640 20 0 EHADRM CCOC(=O)c1cnc(/C=C/c2cnc(C(C)C)s2)c(C(=O)[O-])c1 ZINC000340948622 1020666594 /nfs/dbraw/zinc/66/65/94/1020666594.db2.gz DZZSNILSELYNNJ-AATRIKPKSA-N -1 0 346.408 3.707 20 0 EHADRM CCOc1cc(C)ccc1NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000048382404 1020729587 /nfs/dbraw/zinc/72/95/87/1020729587.db2.gz KPVFQUXQVYLIMN-FQEVSTJZSA-N -1 0 341.407 3.765 20 0 EHADRM O=C(N=c1cc2ccccn2[nH]1)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000558464576 1020750225 /nfs/dbraw/zinc/75/02/25/1020750225.db2.gz PZZCOUZAXKPCBB-KRWDZBQOSA-N -1 0 340.814 3.682 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cccc(Br)c2)c1F ZINC000313203722 1020761937 /nfs/dbraw/zinc/76/19/37/1020761937.db2.gz BOWCBTSINJFHQA-UHFFFAOYSA-N -1 0 344.205 3.697 20 0 EHADRM Cc1n[n-]c(=NC(=O)Nc2ccc(C)c(OCCC(C)C)c2)s1 ZINC000606938567 1032931901 /nfs/dbraw/zinc/93/19/01/1032931901.db2.gz UIZXHBPOCCGPAV-UHFFFAOYSA-N -1 0 334.445 3.646 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1cn2c(cccc2Br)n1 ZINC001211620690 1032930824 /nfs/dbraw/zinc/93/08/24/1032930824.db2.gz AWIZDJJRXYNJMK-UHFFFAOYSA-N -1 0 346.184 3.847 20 0 EHADRM COCc1nc(C(=O)[N-]c2cc(F)ccc2SCC(F)F)co1 ZINC000548169140 1020882907 /nfs/dbraw/zinc/88/29/07/1020882907.db2.gz CHNXEUVFXFAAMS-UHFFFAOYSA-N -1 0 346.330 3.570 20 0 EHADRM CC1(C)[C@@H](C(F)(F)F)CCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000276237975 1020954326 /nfs/dbraw/zinc/95/43/26/1020954326.db2.gz LPKINYVFZADGNL-VIFPVBQESA-N -1 0 331.363 3.560 20 0 EHADRM O=C([O-])c1c2c(nc3ccccc31)/C(=C\c1cnn3c1CCC3)CC2 ZINC000656612692 1021029773 /nfs/dbraw/zinc/02/97/73/1021029773.db2.gz JUSNICNRQNXXMX-BENRWUELSA-N -1 0 331.375 3.563 20 0 EHADRM CCC[C@@H](C)CC(=O)OCc1cc(=O)oc2cc(O)c(CC)cc12 ZINC000728341469 1021055563 /nfs/dbraw/zinc/05/55/63/1021055563.db2.gz YSUBIHDIWGQZNZ-GFCCVEGCSA-N -1 0 332.396 3.931 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2)CCOC3)c1 ZINC000656643687 1021077363 /nfs/dbraw/zinc/07/73/63/1021077363.db2.gz IPIUHPZPJIDGBO-UHFFFAOYSA-N -1 0 337.828 3.522 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)[C@H](Oc1ccccc1)c1ccccc1 ZINC000341203482 1021092044 /nfs/dbraw/zinc/09/20/44/1021092044.db2.gz ZIHLPNGBFWSSTG-HXUWFJFHSA-N -1 0 345.402 3.535 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000581567094 1021095406 /nfs/dbraw/zinc/09/54/06/1021095406.db2.gz TZTGTWGVAZLXAW-UHFFFAOYSA-N -1 0 342.823 3.702 20 0 EHADRM Cc1ccsc1[C@H]1C[C@@H]1C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000439124312 1021167523 /nfs/dbraw/zinc/16/75/23/1021167523.db2.gz OEYSVWNBPHCUPA-STQMWFEESA-N -1 0 341.461 3.739 20 0 EHADRM O=C(c1ccccc1O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000436778061 1021207026 /nfs/dbraw/zinc/20/70/26/1021207026.db2.gz FCASFRMJTLQDNQ-AWEZNQCLSA-N -1 0 347.212 3.527 20 0 EHADRM COCCC1(CNC(=O)c2cc(F)cc(Cl)c2[O-])CCCC1 ZINC000436799479 1021222369 /nfs/dbraw/zinc/22/23/69/1021222369.db2.gz YQPGIHNPLPYJCL-UHFFFAOYSA-N -1 0 329.799 3.511 20 0 EHADRM O=S(=O)([N-]c1cncc2c1CCCC2)c1cc(F)ccc1Cl ZINC000656736368 1021228743 /nfs/dbraw/zinc/22/87/43/1021228743.db2.gz BJMHAUAXZCSDEU-UHFFFAOYSA-N -1 0 340.807 3.554 20 0 EHADRM Cc1c(Cl)cc(F)c(NC(=O)CC2(C(=O)[O-])CCCC2)c1F ZINC000341262805 1021230489 /nfs/dbraw/zinc/23/04/89/1021230489.db2.gz RXXYXAJQUXZCJU-UHFFFAOYSA-N -1 0 331.746 3.900 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(F)c(F)c1[O-] ZINC001625988458 1032967548 /nfs/dbraw/zinc/96/75/48/1032967548.db2.gz XMKVFGIFWLLHFU-WDMOLILDSA-N -1 0 327.371 3.983 20 0 EHADRM CCc1ccc(C(=O)N[C@H](c2ccccc2)c2ccncc2)c(O)c1 ZINC000436822208 1021274287 /nfs/dbraw/zinc/27/42/87/1021274287.db2.gz SIJAMSUBXIBNDY-HXUWFJFHSA-N -1 0 332.403 3.869 20 0 EHADRM Cc1ccnc2ccc(C(=O)N=c3nc(-c4ccccc4)[n-]s3)cc12 ZINC000507460750 1021278365 /nfs/dbraw/zinc/27/83/65/1021278365.db2.gz PLGCEHOWQINBGU-UHFFFAOYSA-N -1 0 346.415 3.736 20 0 EHADRM COCCOc1cccc(/C=C\c2nc3cc(C(=O)[O-])ccc3o2)c1 ZINC000439269208 1021296724 /nfs/dbraw/zinc/29/67/24/1021296724.db2.gz CQRUVEVLPAIIBX-YVMONPNESA-N -1 0 339.347 3.722 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2csc(-c3ccc(C)o3)n2)c1 ZINC000436860403 1021297700 /nfs/dbraw/zinc/29/77/00/1021297700.db2.gz GATNRFLUQMEZBG-UHFFFAOYSA-N -1 0 342.376 3.872 20 0 EHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1ccc2nc(C)sc2c1 ZINC000427302815 1021298214 /nfs/dbraw/zinc/29/82/14/1021298214.db2.gz UQMSZBHNNFHMPW-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)c1 ZINC000436860496 1021299096 /nfs/dbraw/zinc/29/90/96/1021299096.db2.gz HBBCKJFAVFQVRT-ZIAGYGMSSA-N -1 0 329.783 3.990 20 0 EHADRM CCCCc1nc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)cs1 ZINC000656766387 1021299871 /nfs/dbraw/zinc/29/98/71/1021299871.db2.gz RBRSPKIBUOPYEX-PMPSAXMXSA-N -1 0 336.501 3.951 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CCC(=O)c2ccc(C)s2)c1 ZINC000436862559 1021300518 /nfs/dbraw/zinc/30/05/18/1021300518.db2.gz OOWDIECKXPNIRS-UHFFFAOYSA-N -1 0 331.393 3.566 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@@H]2SCCc3ccccc32)c1 ZINC000436862501 1021301856 /nfs/dbraw/zinc/30/18/56/1021301856.db2.gz OFYNMVSAMLEFGI-QGZVFWFLSA-N -1 0 327.405 3.564 20 0 EHADRM CCC[N@H+](CCOc1cccc(C(=O)[O-])c1)Cc1ccccc1F ZINC000656766964 1021302364 /nfs/dbraw/zinc/30/23/64/1021302364.db2.gz ZMPJMTYUYHMCAU-UHFFFAOYSA-N -1 0 331.387 3.815 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CCCOc2ccccc2F)c1 ZINC000436871616 1021314085 /nfs/dbraw/zinc/31/40/85/1021314085.db2.gz QTWYNGSHSCRYJU-UHFFFAOYSA-N -1 0 331.343 3.532 20 0 EHADRM COc1cccc(/C=C\c2nc3cc(C(=O)[O-])ccc3o2)c1OC ZINC000439280744 1021318788 /nfs/dbraw/zinc/31/87/88/1021318788.db2.gz VPJCYLTUMSQWCV-CLFYSBASSA-N -1 0 325.320 3.714 20 0 EHADRM O=C([O-])c1cccc2oc(/C=C/c3cnn(-c4ccccc4)c3)nc21 ZINC000439283466 1021320605 /nfs/dbraw/zinc/32/06/05/1021320605.db2.gz ZCBLFMZWIVPGMB-MDZDMXLPSA-N -1 0 331.331 3.882 20 0 EHADRM O=C(c1c(O)cccc1O)N1CC=C(c2cccc(Cl)c2)CC1 ZINC000436886880 1021339398 /nfs/dbraw/zinc/33/93/98/1021339398.db2.gz MJPVHFQSBXMQGZ-UHFFFAOYSA-N -1 0 329.783 3.681 20 0 EHADRM C[C@@H](N=c1[n-]c(-c2cccc(Cl)c2)no1)c1ccc2c(c1)OCO2 ZINC000518594062 1021344240 /nfs/dbraw/zinc/34/42/40/1021344240.db2.gz MDGZOZFPIBIWOC-SNVBAGLBSA-N -1 0 343.770 3.714 20 0 EHADRM CCSCc1cc(C(=O)Nc2cc(F)cc(Cl)c2[O-])no1 ZINC000436910872 1021357028 /nfs/dbraw/zinc/35/70/28/1021357028.db2.gz SFCDHILZZMHZAW-UHFFFAOYSA-N -1 0 330.768 3.678 20 0 EHADRM C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1c([O-])cccc1F ZINC000436898904 1021362307 /nfs/dbraw/zinc/36/23/07/1021362307.db2.gz IBKMVIQNPWZVMY-MEDUHNTESA-N -1 0 349.789 3.787 20 0 EHADRM CCOC(=O)CCc1ccc(NC(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000436899297 1021363614 /nfs/dbraw/zinc/36/36/14/1021363614.db2.gz JVJDXEIWUBYPFY-UHFFFAOYSA-N -1 0 347.798 3.794 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2ccccc2OC)cc1Cl ZINC000507605023 1021384649 /nfs/dbraw/zinc/38/46/49/1021384649.db2.gz LZXHNPWBFZKYMU-UHFFFAOYSA-N -1 0 325.817 3.712 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2scnc2C(C)C)cc1C ZINC000516395456 1021389356 /nfs/dbraw/zinc/38/93/56/1021389356.db2.gz WVXSGYCCVQUPMR-UHFFFAOYSA-N -1 0 340.470 3.774 20 0 EHADRM Cn1nc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])cc1C1CC1 ZINC000436961315 1021423148 /nfs/dbraw/zinc/42/31/48/1021423148.db2.gz GTOBIUVDWIPOFZ-UHFFFAOYSA-N -1 0 326.183 3.562 20 0 EHADRM Cc1cc(NC(=O)c2c([O-])cc(Cl)cc2Cl)cn2ccnc12 ZINC000436978339 1021431995 /nfs/dbraw/zinc/43/19/95/1021431995.db2.gz GXJRHWNVUWARRE-UHFFFAOYSA-N -1 0 336.178 3.907 20 0 EHADRM Cc1ccc(-n2cccn2)cc1NC(=O)c1cc(Cl)ccc1[O-] ZINC000436989732 1021444725 /nfs/dbraw/zinc/44/47/25/1021444725.db2.gz PCPIVNFIEUHQKC-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM CC[C@@H]1CCCCCN1C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC000909412093 1021447473 /nfs/dbraw/zinc/44/74/73/1021447473.db2.gz YCYYDNUMVGWLCA-CYBMUJFWSA-N -1 0 328.412 3.590 20 0 EHADRM O=C(Nc1cccc2c1CN(c1ccccn1)C2)c1c([O-])cccc1F ZINC000436992524 1021448641 /nfs/dbraw/zinc/44/86/41/1021448641.db2.gz ZPXXPZXXYYHPRY-UHFFFAOYSA-N -1 0 349.365 3.699 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CO[C@@H]2CCCc3ccccc32)c1 ZINC000436993915 1021449023 /nfs/dbraw/zinc/44/90/23/1021449023.db2.gz ITILVVFWKUEDNH-LJQANCHMSA-N -1 0 339.391 3.628 20 0 EHADRM CC(=O)Nc1ccc(-c2noc(-c3ccc(Cl)cc3[O-])n2)cc1 ZINC000437000387 1021469328 /nfs/dbraw/zinc/46/93/28/1021469328.db2.gz UDEVZTYXRUTELX-UHFFFAOYSA-N -1 0 329.743 3.721 20 0 EHADRM CC(C)C[C@@H](C(=O)Nc1n[nH]c(C(F)(F)F)n1)c1ccccc1 ZINC000607108682 1032989007 /nfs/dbraw/zinc/98/90/07/1032989007.db2.gz SEKUYBXJCNHHSG-LLVKDONJSA-N -1 0 326.322 3.592 20 0 EHADRM Cc1ccccc1CN=c1[n-]nc(-c2cccc(OC(F)F)c2)o1 ZINC000519632744 1021583983 /nfs/dbraw/zinc/58/39/83/1021583983.db2.gz BFBBKVQWBQZBAP-UHFFFAOYSA-N -1 0 331.322 3.680 20 0 EHADRM CC(C)c1nnc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)s1 ZINC000437193392 1021622689 /nfs/dbraw/zinc/62/26/89/1021622689.db2.gz HNBDEYFHGFVSOW-UHFFFAOYSA-N -1 0 339.486 3.760 20 0 EHADRM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000439720692 1021671589 /nfs/dbraw/zinc/67/15/89/1021671589.db2.gz RIQALRNQTHAAQF-DYVFJYSZSA-N -1 0 347.455 3.808 20 0 EHADRM Cc1ccsc1S(=O)(=O)Nc1c(Cl)cc(C)cc1C(=O)[O-] ZINC000548220271 1021757186 /nfs/dbraw/zinc/75/71/86/1021757186.db2.gz ARNVSCOVUDEQCC-UHFFFAOYSA-N -1 0 345.829 3.517 20 0 EHADRM CCCc1nc(C)c([N-]S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)s1 ZINC000516854487 1021776960 /nfs/dbraw/zinc/77/69/60/1021776960.db2.gz LXOJHANOHMMDAG-UONOGXRCSA-N -1 0 336.482 3.702 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nc(C(C)(C)C)cs2)c(F)cc1F ZINC000439885544 1021798673 /nfs/dbraw/zinc/79/86/73/1021798673.db2.gz ZOXWHFNLBOHHJT-UHFFFAOYSA-N -1 0 346.424 3.828 20 0 EHADRM COC(=O)COc1ccc2cc(-c3cccc(C(=O)[O-])c3)ccc2c1 ZINC000516869150 1021801399 /nfs/dbraw/zinc/80/13/99/1021801399.db2.gz BAVLVZBIQRDDPN-UHFFFAOYSA-N -1 0 336.343 3.757 20 0 EHADRM CC(C)c1ccc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])s1 ZINC000439917466 1021824621 /nfs/dbraw/zinc/82/46/21/1021824621.db2.gz IRLQCGLYBAXPCM-MRXNPFEDSA-N -1 0 329.421 3.696 20 0 EHADRM Cc1n[n-]c(=NC[C@H]2CC3c4ccccc4C2c2ccccc23)s1 ZINC000607142256 1033010085 /nfs/dbraw/zinc/01/00/85/1033010085.db2.gz YMGAMTUVEGPATQ-XYJCDUHRSA-N -1 0 333.460 3.978 20 0 EHADRM O=C([O-])C1CCC(CC(=O)Nc2cccc(Br)c2)CC1 ZINC000519160064 1021890371 /nfs/dbraw/zinc/89/03/71/1021890371.db2.gz BBUDVMUUOPOBMD-UHFFFAOYSA-N -1 0 340.217 3.669 20 0 EHADRM Clc1ccc2sc(CCN=c3nc(C4CC4)[n-]s3)nc2c1 ZINC000426558614 1021921582 /nfs/dbraw/zinc/92/15/82/1021921582.db2.gz VUFYOUJYPXOYOJ-UHFFFAOYSA-N -1 0 336.873 3.755 20 0 EHADRM CCc1ccc(C(=O)N2CCC[C@@H]2CC(=O)c2cccs2)c(O)c1 ZINC000188270370 1021979987 /nfs/dbraw/zinc/97/99/87/1021979987.db2.gz KPXQIBVDSPAJDX-CQSZACIVSA-N -1 0 343.448 3.894 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)c2ccc3ccc(Cl)cc3n2)s1 ZINC000437666091 1022025762 /nfs/dbraw/zinc/02/57/62/1022025762.db2.gz CKZDGPQXYGMGJQ-UHFFFAOYSA-N -1 0 346.843 3.711 20 0 EHADRM O=C(CCc1ccc(Cl)cc1)N=c1nc(-c2ccsc2)[n-]s1 ZINC000520221665 1022038457 /nfs/dbraw/zinc/03/84/57/1022038457.db2.gz NZEXRHKEXSDNOL-UHFFFAOYSA-N -1 0 349.868 3.913 20 0 EHADRM Cc1ccc(N=c2[n-]nc(SCC(=O)C3CC3)s2)cc1Cl ZINC000520252338 1022069241 /nfs/dbraw/zinc/06/92/41/1022069241.db2.gz GROGOXSJEPULRV-UHFFFAOYSA-N -1 0 339.873 3.737 20 0 EHADRM Cc1ccc2cccc([N-]S(=O)(=O)c3cc(C)c(F)cc3F)c2n1 ZINC000440306528 1022081104 /nfs/dbraw/zinc/08/11/04/1022081104.db2.gz RCXGRFRWSRHVES-UHFFFAOYSA-N -1 0 348.374 3.931 20 0 EHADRM CC(C)(C)OC(=O)CCSc1n[n-]c(=Nc2ccccc2)s1 ZINC000510482056 1022129796 /nfs/dbraw/zinc/12/97/96/1022129796.db2.gz NVCDFJFQQXIDJH-UHFFFAOYSA-N -1 0 337.470 3.528 20 0 EHADRM Cc1nc(CNCc2c(Cl)cccc2Cl)ccc1C(=O)[O-] ZINC000426650769 1022146345 /nfs/dbraw/zinc/14/63/45/1022146345.db2.gz GJVUUWCDGFLYKF-UHFFFAOYSA-N -1 0 325.195 3.685 20 0 EHADRM FC(F)(F)c1nc(=N[C@H]2CCc3sc(Cl)cc32)s[n-]1 ZINC000519492675 1022150559 /nfs/dbraw/zinc/15/05/59/1022150559.db2.gz UQKXYDLZGFYMPR-YFKPBYRVSA-N -1 0 325.768 3.793 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(Cl)c(F)c1 ZINC000574307544 1033035525 /nfs/dbraw/zinc/03/55/25/1033035525.db2.gz GONGLBUPQGWTTH-CGEWXTDFSA-N -1 0 339.794 3.547 20 0 EHADRM COCCC1(C)CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C1 ZINC000291210253 1022213693 /nfs/dbraw/zinc/21/36/93/1022213693.db2.gz MAYWHGUWCFFDTP-UHFFFAOYSA-N -1 0 333.815 3.697 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000262079936 1022248584 /nfs/dbraw/zinc/24/85/84/1022248584.db2.gz BKDIEXZKLSJOCE-CHWSQXEVSA-N -1 0 337.382 3.897 20 0 EHADRM C[C@@]1(c2ccccc2)CN(Cc2c(Cl)cccc2C(=O)[O-])CCO1 ZINC000574332581 1033043763 /nfs/dbraw/zinc/04/37/63/1033043763.db2.gz SBHJPLBMOJNTES-IBGZPJMESA-N -1 0 345.826 3.786 20 0 EHADRM O=C(Nc1cc(Br)ccc1O)[C@@H]1Cc2ccc(F)cc21 ZINC000684470664 1022326252 /nfs/dbraw/zinc/32/62/52/1022326252.db2.gz NFHDFHNZPPXHQI-GFCCVEGCSA-N -1 0 336.160 3.572 20 0 EHADRM CC1(c2cc([N-]S(=O)(=O)Cc3cccc(F)c3)no2)CCCC1 ZINC000517482784 1022369301 /nfs/dbraw/zinc/36/93/01/1022369301.db2.gz ZZKBKJZMSOYCNO-UHFFFAOYSA-N -1 0 338.404 3.587 20 0 EHADRM CCn1nc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)cc1C1CC1 ZINC000425948294 1022378476 /nfs/dbraw/zinc/37/84/76/1022378476.db2.gz BVBUKFOBIQKOJY-UHFFFAOYSA-N -1 0 347.484 3.879 20 0 EHADRM C[C@@H](NC(=O)[C@@H](C)CCCc1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655574622 1022390446 /nfs/dbraw/zinc/39/04/46/1022390446.db2.gz BXVXEFLBNDPRTH-CIRFHOKZSA-N -1 0 345.483 3.897 20 0 EHADRM Cc1ccc(NC(=O)c2cccc(Br)c2)cc1C(=O)[O-] ZINC000110987582 1022399067 /nfs/dbraw/zinc/39/90/67/1022399067.db2.gz FSWWZHNGZANVPX-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21)C1CC1 ZINC000581921715 1022404622 /nfs/dbraw/zinc/40/46/22/1022404622.db2.gz SIBSUEBDPJOYGZ-HUUCEWRRSA-N -1 0 348.443 3.639 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1cccc(Cl)c1F ZINC000550111006 1022484444 /nfs/dbraw/zinc/48/44/44/1022484444.db2.gz XRVFGCOAXOTTSH-UHFFFAOYSA-N -1 0 346.749 3.531 20 0 EHADRM CC1=C[C@H](C)CN(C(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000438333623 1022556582 /nfs/dbraw/zinc/55/65/82/1022556582.db2.gz VGYXUVWISIKNAP-QMMMGPOBSA-N -1 0 344.636 3.846 20 0 EHADRM C[C@H](CC(=O)[N-]S(=O)(=O)c1ccccc1Br)C1CC1 ZINC000049135248 1022670639 /nfs/dbraw/zinc/67/06/39/1022670639.db2.gz FHIKLDTZCBWLHH-SECBINFHSA-N -1 0 346.246 3.531 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)CC3)sc1Cl ZINC000473769480 1022699455 /nfs/dbraw/zinc/69/94/55/1022699455.db2.gz ZXCGNGKMFDKUBL-UHFFFAOYSA-N -1 0 342.873 3.503 20 0 EHADRM Cc1occc1S([O-])=CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 ZINC000471865031 1022711985 /nfs/dbraw/zinc/71/19/85/1022711985.db2.gz VSDKJESDAMIJIO-SHACYNPGSA-N -1 0 345.464 3.523 20 0 EHADRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cccc(C)c2Cl)c1C ZINC000331126735 1022751717 /nfs/dbraw/zinc/75/17/17/1022751717.db2.gz ZCLVJJYYQHFRNQ-NSHDSACASA-N -1 0 341.864 3.925 20 0 EHADRM C[C@@H]1CC[C@@H](CSc2n[n-]c(=Nc3cccc(F)c3)s2)O1 ZINC000473781278 1022755916 /nfs/dbraw/zinc/75/59/16/1022755916.db2.gz XSRPVOLSQMUQQQ-SKDRFNHKSA-N -1 0 325.434 3.502 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2cccc(C)c2Cl)ccc1F ZINC000188575123 1022830020 /nfs/dbraw/zinc/83/00/20/1022830020.db2.gz VTCKQOZTFAMFNQ-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000341655161 1022853439 /nfs/dbraw/zinc/85/34/39/1022853439.db2.gz HPLXRAVGWRQJEO-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM CC(C)(C)CCS(=O)(=O)[N-]c1ccn(-c2ccccc2Cl)n1 ZINC000578825025 1022875702 /nfs/dbraw/zinc/87/57/02/1022875702.db2.gz FWFMDRDPXVDJCZ-UHFFFAOYSA-N -1 0 341.864 3.704 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@@H]1CCCc2ccccc21 ZINC000262057949 1022943140 /nfs/dbraw/zinc/94/31/40/1022943140.db2.gz GOTWSHLCDSIUDL-MOPGFXCFSA-N -1 0 337.419 3.747 20 0 EHADRM Cc1ccc(-c2ncc(CN[C@H](C(=O)[O-])c3ccc(C)cc3)s2)o1 ZINC000426703750 1022975339 /nfs/dbraw/zinc/97/53/39/1022975339.db2.gz HQGBAPYITLOMMM-INIZCTEOSA-N -1 0 342.420 3.935 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccccc1OCC1CC1 ZINC000438767622 1022983232 /nfs/dbraw/zinc/98/32/32/1022983232.db2.gz RTWKZWYVAPHHHY-UHFFFAOYSA-N -1 0 335.400 3.724 20 0 EHADRM Cc1ccc2[nH]c(CN[C@@H](C(=O)[O-])c3c(F)cccc3F)cc2c1C ZINC000426729734 1022998671 /nfs/dbraw/zinc/99/86/71/1022998671.db2.gz GJMPFVWIPZUTME-GOSISDBHSA-N -1 0 344.361 3.978 20 0 EHADRM O=C([O-])[C@H](NCc1cc(Cl)ccc1F)c1c(F)cccc1F ZINC000426731705 1023002302 /nfs/dbraw/zinc/00/23/02/1023002302.db2.gz FXXFACQAQFSFSE-CQSZACIVSA-N -1 0 329.705 3.673 20 0 EHADRM O=C(N[C@H]1CC[C@H](Cc2ccccc2)C1)c1cc(F)c(F)c([O-])c1F ZINC000189339432 1023009350 /nfs/dbraw/zinc/00/93/50/1023009350.db2.gz AWZQOMRWQITTEX-OLZOCXBDSA-N -1 0 349.352 3.951 20 0 EHADRM CC1([C@@H]([NH2+]Cc2coc(-c3ccccc3)n2)C(=O)[O-])CCCCC1 ZINC000426744860 1023012593 /nfs/dbraw/zinc/01/25/93/1023012593.db2.gz DWFOZHLOWLGULK-INIZCTEOSA-N -1 0 328.412 3.855 20 0 EHADRM CO[C@H](C)c1nc(=NC2CCC(C)(c3ccccc3)CC2)s[n-]1 ZINC000509548842 1023027123 /nfs/dbraw/zinc/02/71/23/1023027123.db2.gz KSRSGSCEESIAAD-MJJDPTRDSA-N -1 0 331.485 3.980 20 0 EHADRM O=C([O-])[C@H](NCc1c(Cl)oc2ccccc21)c1ccc(O)cc1 ZINC000426765795 1023030885 /nfs/dbraw/zinc/03/08/85/1023030885.db2.gz SHKXYNSYAXHACI-OAHLLOKOSA-N -1 0 331.755 3.707 20 0 EHADRM O=C([O-])[C@H](NCc1csc(-c2cccs2)n1)c1ccsc1 ZINC000426783791 1023043053 /nfs/dbraw/zinc/04/30/53/1023043053.db2.gz NVIYXOVNCKAZID-GFCCVEGCSA-N -1 0 336.463 3.849 20 0 EHADRM C[C@@H](C(=O)NCCc1cccc(C(=O)[O-])c1)c1cc2ccccc2o1 ZINC000537474253 1033100784 /nfs/dbraw/zinc/10/07/84/1033100784.db2.gz AWIRXERJIOXSTJ-CYBMUJFWSA-N -1 0 337.375 3.593 20 0 EHADRM COCc1ccccc1CNC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1 ZINC000237172793 1023048333 /nfs/dbraw/zinc/04/83/33/1023048333.db2.gz KLSLZWCNGIXNPB-FQEVSTJZSA-N -1 0 347.455 3.511 20 0 EHADRM O=C([O-])[C@H](NCc1cnc(-c2cccs2)s1)c1ccccc1F ZINC000426789515 1023050395 /nfs/dbraw/zinc/05/03/95/1023050395.db2.gz VMMSYFBBOMSPSQ-CQSZACIVSA-N -1 0 348.424 3.926 20 0 EHADRM CCc1ccc([C@@H](NCc2c[nH]c(-c3ccccc3)n2)C(=O)[O-])cc1 ZINC000426812110 1023061695 /nfs/dbraw/zinc/06/16/95/1023061695.db2.gz PNCCAZRYHFAJJG-GOSISDBHSA-N -1 0 335.407 3.555 20 0 EHADRM CCCSC[C@H](NCc1csc(-c2ccsc2)n1)C(=O)[O-] ZINC000426828452 1023072790 /nfs/dbraw/zinc/07/27/90/1023072790.db2.gz VUUZBBLHMJIZHP-LBPRGKRZSA-N -1 0 342.511 3.558 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@@H](C)Cc2ccccc2C(F)(F)F)s[n-]1 ZINC000509577846 1023075465 /nfs/dbraw/zinc/07/54/65/1023075465.db2.gz CIHWULKGAMNFNV-UWVGGRQHSA-N -1 0 345.390 3.729 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2cnc3ccccc3c2)cc1 ZINC000430982230 1023084337 /nfs/dbraw/zinc/08/43/37/1023084337.db2.gz OONQFLIEUXCPHS-UHFFFAOYSA-N -1 0 330.434 3.758 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N[C@H](C)Cc2ccsc2)s1 ZINC000518183813 1023110891 /nfs/dbraw/zinc/11/08/91/1023110891.db2.gz WEENSMSOAWYZIN-LLVKDONJSA-N -1 0 338.502 3.507 20 0 EHADRM CC(C)Cc1n[n-]c(=NCc2cnc(-c3cccs3)s2)s1 ZINC000539708872 1023138910 /nfs/dbraw/zinc/13/89/10/1023138910.db2.gz QATNKZBTICPNTB-UHFFFAOYSA-N -1 0 336.511 3.956 20 0 EHADRM CC(C)c1cc(C(=O)[N-]c2nsc(Cc3ccc(F)cc3)n2)no1 ZINC000891870429 1023155514 /nfs/dbraw/zinc/15/55/14/1023155514.db2.gz RGRJBUHKYDRHTF-UHFFFAOYSA-N -1 0 346.387 3.632 20 0 EHADRM O=C([O-])c1cc(/C=C\C2=Cc3cc(Cl)cc(Cl)c3OC2)ncn1 ZINC000536389023 1023193862 /nfs/dbraw/zinc/19/38/62/1023193862.db2.gz MLLPDQXPUPJPGN-UPHRSURJSA-N -1 0 349.173 3.971 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N(C)[C@H]2CCC[C@H](C)C2)n1 ZINC000438989102 1023194721 /nfs/dbraw/zinc/19/47/21/1023194721.db2.gz DXMZOTCVZVIXSQ-HOCLYGCPSA-N -1 0 341.455 3.791 20 0 EHADRM O=C(N=c1cc(-c2ccccc2)[nH][nH]1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000439017156 1023222282 /nfs/dbraw/zinc/22/22/82/1023222282.db2.gz ANLRAINPKZVRRK-DZGCQCFKSA-N -1 0 339.345 3.519 20 0 EHADRM CCOc1ccc([C@@H](C)N=c2nc(C(F)(F)F)[n-]s2)cc1OC ZINC000341740761 1023227121 /nfs/dbraw/zinc/22/71/21/1023227121.db2.gz AWAZIFHKADTNTC-MRVPVSSYSA-N -1 0 347.362 3.559 20 0 EHADRM C[C@@H](CSc1n[n-]c(=NC2CCCCC2)s1)C(F)(F)F ZINC000439052348 1023243324 /nfs/dbraw/zinc/24/33/24/1023243324.db2.gz CXKZNVCOWXIGDK-QMMMGPOBSA-N -1 0 325.425 3.995 20 0 EHADRM CC(=O)c1cccc(S(=O)(=O)[N-]c2nc3c(cccc3C)s2)c1 ZINC000028577708 1023254165 /nfs/dbraw/zinc/25/41/65/1023254165.db2.gz BBFDNUOWHHHKHM-UHFFFAOYSA-N -1 0 346.433 3.608 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cnc(C(C)(C)C)s2)s1 ZINC000063234781 1033125415 /nfs/dbraw/zinc/12/54/15/1033125415.db2.gz VYOOSRFRRZJPEK-UHFFFAOYSA-N -1 0 344.483 3.504 20 0 EHADRM Cc1ccc(C)c(C(=O)NCC[C@@H](C)c2ccccc2)c1C(=O)[O-] ZINC000326028047 1033130242 /nfs/dbraw/zinc/13/02/42/1033130242.db2.gz VIAKWFPENFYYPX-CYBMUJFWSA-N -1 0 325.408 3.925 20 0 EHADRM COc1cc(F)ccc1NC(=O)c1ccc(Br)c([O-])c1 ZINC000133041556 1023460763 /nfs/dbraw/zinc/46/07/63/1023460763.db2.gz WTHIFYJLUITMMU-UHFFFAOYSA-N -1 0 340.148 3.555 20 0 EHADRM O=C(N[C@@H](c1cccs1)C1CC1)c1nn(-c2ccccc2)cc1[O-] ZINC000341858422 1023475805 /nfs/dbraw/zinc/47/58/05/1023475805.db2.gz HAAFKJZCGJPTOU-MRXNPFEDSA-N -1 0 339.420 3.521 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)Cc2ccc(-c3ccccc3)cc2)c1 ZINC000221704953 1033140016 /nfs/dbraw/zinc/14/00/16/1033140016.db2.gz HIQWYRYRVYTCRW-UHFFFAOYSA-N -1 0 345.398 3.911 20 0 EHADRM COc1cccc(-c2nc(=NC(=O)c3cccc(Cl)c3)s[n-]2)c1 ZINC000476345422 1033145549 /nfs/dbraw/zinc/14/55/49/1033145549.db2.gz DXFAHVPAUXZPGU-UHFFFAOYSA-N -1 0 345.811 3.541 20 0 EHADRM COc1ccc2nc(/C=C\c3cnn4ccccc34)cc(C(=O)[O-])c2c1 ZINC000607436033 1033141447 /nfs/dbraw/zinc/14/14/47/1033141447.db2.gz NLAKTNPEUTUQOS-WAYWQWQTSA-N -1 0 345.358 3.760 20 0 EHADRM CN(C(=O)c1cc(Br)c(F)cc1[O-])C1CC(C)(C)C1 ZINC000458213276 1023638350 /nfs/dbraw/zinc/63/83/50/1023638350.db2.gz ZRGMDYSPIZQJOL-UHFFFAOYSA-N -1 0 330.197 3.554 20 0 EHADRM CCCCOc1ccc(CNCc2cc(C(=O)[O-])co2)cc1OCC ZINC000277048784 1023722673 /nfs/dbraw/zinc/72/26/73/1023722673.db2.gz RUCNJOGSKQARJC-UHFFFAOYSA-N -1 0 347.411 3.845 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cnn(C3CCCC3)c2)c(C)c1 ZINC000634787351 1023743698 /nfs/dbraw/zinc/74/36/98/1023743698.db2.gz VIUUFHYEPHKLPJ-UHFFFAOYSA-N -1 0 349.456 3.506 20 0 EHADRM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cn2)cc1 ZINC000598371347 1033164119 /nfs/dbraw/zinc/16/41/19/1033164119.db2.gz MPKPNZFFIQDYSQ-UHFFFAOYSA-N -1 0 338.404 3.591 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000537474678 1033165585 /nfs/dbraw/zinc/16/55/85/1033165585.db2.gz PSLRWTDDCMEUJU-UHFFFAOYSA-N -1 0 337.375 3.720 20 0 EHADRM C[C@@]1(c2ccc(F)cc2)CCN(C(=O)c2c([O-])cc(F)cc2F)C1 ZINC000684623540 1023882049 /nfs/dbraw/zinc/88/20/49/1023882049.db2.gz BUDXODNAXFMXMD-GOSISDBHSA-N -1 0 335.325 3.613 20 0 EHADRM CC(C)c1ccccc1OCC(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000326699176 1023938724 /nfs/dbraw/zinc/93/87/24/1023938724.db2.gz UXVBYHINFZNXAK-XFXZXTDPSA-N -1 0 339.391 3.925 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000909505708 1023964974 /nfs/dbraw/zinc/96/49/74/1023964974.db2.gz ZOIWVEOYGGORNF-STRFDMGBSA-N -1 0 344.436 3.739 20 0 EHADRM CC1(C)C[C@@H](C(=O)Nc2ccc(CC(=O)[O-])cc2)c2ccccc2O1 ZINC000909505600 1023967470 /nfs/dbraw/zinc/96/74/70/1023967470.db2.gz RBLSYUVRLRWAFS-MRXNPFEDSA-N -1 0 339.391 3.597 20 0 EHADRM O=C([N-]Cc1ccc(Oc2cccc(F)c2)nc1)C(F)(F)C(F)F ZINC000176320025 1023973436 /nfs/dbraw/zinc/97/34/36/1023973436.db2.gz IOCGRJMBDDQAGI-UHFFFAOYSA-N -1 0 346.255 3.530 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)C[C@@H](c2ccc(O)cc2)C2CC2)cc1 ZINC000909506435 1023980681 /nfs/dbraw/zinc/98/06/81/1023980681.db2.gz NFBMFZHXRBHFNJ-GOSISDBHSA-N -1 0 339.391 3.542 20 0 EHADRM CC(C)(C)O[C@@H](C(=O)N=c1nc(C(C)(C)C)[n-]s1)c1ccccc1 ZINC000513953987 1023998222 /nfs/dbraw/zinc/99/82/22/1023998222.db2.gz WKZJBSCKXADFDJ-CYBMUJFWSA-N -1 0 347.484 3.752 20 0 EHADRM O=C(NC[C@H]1SCCc2ccccc21)c1cccc(Cl)c1[O-] ZINC001126544352 1024009159 /nfs/dbraw/zinc/00/91/59/1024009159.db2.gz OXTDIJXUCWHXNH-OAHLLOKOSA-N -1 0 333.840 3.806 20 0 EHADRM O=C([O-])[C@@H](Cc1ccccc1)NCc1nc(-c2ccccc2)cs1 ZINC000035941887 1024020278 /nfs/dbraw/zinc/02/02/78/1024020278.db2.gz HYMHLYKIBSMTKK-MRXNPFEDSA-N -1 0 338.432 3.596 20 0 EHADRM Cc1cc2occ(CC(=O)N[C@H](C)CCC(=O)[O-])c2cc1C(C)C ZINC000236623269 1024033610 /nfs/dbraw/zinc/03/36/10/1024033610.db2.gz IPADQGIHRXVJPA-CYBMUJFWSA-N -1 0 331.412 3.777 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000522539192 1024048710 /nfs/dbraw/zinc/04/87/10/1024048710.db2.gz NKTYQUUQPORMKE-CHWSQXEVSA-N -1 0 348.233 3.825 20 0 EHADRM C[C@@H](CC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)C1CCCCC1 ZINC000262187085 1024057728 /nfs/dbraw/zinc/05/77/28/1024057728.db2.gz QRCCCMIMNKHKIL-KSSFIOAISA-N -1 0 329.440 3.804 20 0 EHADRM C[C@@H](CC(=O)[O-])n1cc(-c2ccc(OC[C@@H]3CCCCO3)cc2)cn1 ZINC000657204148 1024085675 /nfs/dbraw/zinc/08/56/75/1024085675.db2.gz VSJIMMJTRXVMHA-KSSFIOAISA-N -1 0 344.411 3.534 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N[C@H]2CC[C@@H](C)c3ccccc32)s1 ZINC000443873247 1024087021 /nfs/dbraw/zinc/08/70/21/1024087021.db2.gz BHQZPPKAJMZCIN-MFKMUULPSA-N -1 0 348.497 3.832 20 0 EHADRM CCCn1nc(C)c(-c2cc(C(=O)[O-])n(-c3ccc(C)cc3)n2)c1C ZINC000657205543 1024112324 /nfs/dbraw/zinc/11/23/24/1024112324.db2.gz CNBBSZMXKKCJQL-UHFFFAOYSA-N -1 0 338.411 3.769 20 0 EHADRM COc1cc(C)c(CNc2ccc(CCCC(=O)[O-])cc2)c(C)n1 ZINC000417586943 1024113863 /nfs/dbraw/zinc/11/38/63/1024113863.db2.gz BEJHJUMRGJHAKS-UHFFFAOYSA-N -1 0 328.412 3.726 20 0 EHADRM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)Cc1ccc(C)c(F)c1)C(F)(F)F ZINC000443936589 1024135217 /nfs/dbraw/zinc/13/52/17/1024135217.db2.gz RFUMGBOHFZNSNR-NOZJJQNGSA-N -1 0 341.370 3.531 20 0 EHADRM C[C@H](CC(=O)[O-])c1ccc(NCc2cnc(C(C)(C)C)nc2)cc1 ZINC000417615384 1024162391 /nfs/dbraw/zinc/16/23/91/1024162391.db2.gz XHEXFJXFJXPBGG-CYBMUJFWSA-N -1 0 327.428 3.964 20 0 EHADRM CCCOc1ccc(C(=O)[O-])cc1NCc1ccc(OC)c(OC)c1 ZINC000417616799 1024163299 /nfs/dbraw/zinc/16/32/99/1024163299.db2.gz ZJYVDCRPVXXVMV-UHFFFAOYSA-N -1 0 345.395 3.803 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])Cc1cnc(CCc2ccccc2)s1 ZINC000665350823 1024163537 /nfs/dbraw/zinc/16/35/37/1024163537.db2.gz FDCUADZMPJSUQB-UHFFFAOYSA-N -1 0 346.496 3.861 20 0 EHADRM COc1ccc(OC)c(CNc2ccc([C@@H](C)CC(=O)[O-])cc2)c1 ZINC000417611365 1024169031 /nfs/dbraw/zinc/16/90/31/1024169031.db2.gz OZADDMNYJZECGK-ZDUSSCGKSA-N -1 0 329.396 3.894 20 0 EHADRM Cc1cc(=NC(=O)C[C@@H](C)c2ccc(C(F)(F)F)cc2)[n-]nc1C ZINC000522303421 1024180144 /nfs/dbraw/zinc/18/01/44/1024180144.db2.gz BGELKBKDYLEZLF-LLVKDONJSA-N -1 0 337.345 3.666 20 0 EHADRM CCN(C(=O)c1cc(F)ccc1O)[C@H](C)Cc1ccc(OC)cc1 ZINC000094125893 1024216718 /nfs/dbraw/zinc/21/67/18/1024216718.db2.gz JIJMXPQQUPIXKX-CYBMUJFWSA-N -1 0 331.387 3.633 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)COc1ccc(Cl)cc1C ZINC000472007581 1024267630 /nfs/dbraw/zinc/26/76/30/1024267630.db2.gz FGSUZMNDYUDQKH-UHFFFAOYSA-N -1 0 347.798 3.981 20 0 EHADRM Cc1nc(CNCc2ccc(F)cc2C(F)(F)F)ccc1C(=O)[O-] ZINC000277240125 1024294303 /nfs/dbraw/zinc/29/43/03/1024294303.db2.gz JDDWBDKHPMSYMS-UHFFFAOYSA-N -1 0 342.292 3.536 20 0 EHADRM COCCC1(CNC(=O)c2cc(F)c([O-])c(Cl)c2)CCCCC1 ZINC000192550244 1024321123 /nfs/dbraw/zinc/32/11/23/1024321123.db2.gz CBCVPHGXVYCHJH-UHFFFAOYSA-N -1 0 343.826 3.902 20 0 EHADRM CCOc1cccc(CCC(=O)Nc2cc(C(C)=O)ccc2[O-])c1 ZINC000528972448 1033212204 /nfs/dbraw/zinc/21/22/04/1033212204.db2.gz CREXLBIIOVQPQA-UHFFFAOYSA-N -1 0 327.380 3.565 20 0 EHADRM CSC[C@H](C)C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000536458527 1024486483 /nfs/dbraw/zinc/48/64/83/1024486483.db2.gz FZJNZEHWMPOGRD-LURJTMIESA-N -1 0 338.654 3.746 20 0 EHADRM C[C@@H](CNC(=O)CCCc1ccc(Cl)c(Cl)c1)CC(=O)[O-] ZINC000262231213 1024496821 /nfs/dbraw/zinc/49/68/21/1024496821.db2.gz ONEOYOJQCSLTNB-SNVBAGLBSA-N -1 0 332.227 3.543 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000417755516 1024551887 /nfs/dbraw/zinc/55/18/87/1024551887.db2.gz CENCAWNOHWFHNL-UHFFFAOYSA-N -1 0 346.349 3.948 20 0 EHADRM O=C([O-])c1ccccc1CN1Cc2ccc(Br)cc2C1 ZINC000707899800 1024555036 /nfs/dbraw/zinc/55/50/36/1024555036.db2.gz TXCMUNLAJNUURH-UHFFFAOYSA-N -1 0 332.197 3.663 20 0 EHADRM FC(F)(F)c1nc(=N[C@@H]2CCCOc3cc(Cl)ccc32)s[n-]1 ZINC000514622716 1024614111 /nfs/dbraw/zinc/61/41/11/1024614111.db2.gz PUEOTQYPPBCHKM-SECBINFHSA-N -1 0 349.765 3.958 20 0 EHADRM C[C@@H](NC(=O)CC1(C(=O)[O-])CCC1)c1cc(F)c(Cl)cc1Cl ZINC000262566769 1033232645 /nfs/dbraw/zinc/23/26/45/1033232645.db2.gz YBOGHNBBMLSSBU-MRVPVSSYSA-N -1 0 348.201 3.955 20 0 EHADRM COc1ccc2c([N-]S(=O)(=O)c3cccc(C(C)C)c3)noc2c1 ZINC000427755297 1024776756 /nfs/dbraw/zinc/77/67/56/1024776756.db2.gz DSZVSZRNNVWANJ-UHFFFAOYSA-N -1 0 346.408 3.761 20 0 EHADRM CC[C@@H]1CN(C(=O)c2ncc(C)cc2[O-])c2cccc(Cl)c2O1 ZINC000427919773 1024885446 /nfs/dbraw/zinc/88/54/46/1024885446.db2.gz ASWKNWXMPBJTDE-LLVKDONJSA-N -1 0 332.787 3.567 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)CCc1cc(Cl)cs1 ZINC000262247472 1024903687 /nfs/dbraw/zinc/90/36/87/1024903687.db2.gz RLCCQWFWQJSNGC-LBPRGKRZSA-N -1 0 329.849 3.580 20 0 EHADRM CC(C)CCS(=O)(=O)[N-][C@@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000508129169 1024920473 /nfs/dbraw/zinc/92/04/73/1024920473.db2.gz SJACPACNMSBAII-AWEZNQCLSA-N -1 0 348.390 3.737 20 0 EHADRM O=S(=O)(CCCCF)[N-]c1nc(/C=C/c2ccccc2)cs1 ZINC000514964542 1024921582 /nfs/dbraw/zinc/92/15/82/1024921582.db2.gz AUADEVJHDNBNOD-CMDGGOBGSA-N -1 0 340.445 3.805 20 0 EHADRM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2F)n[nH]1 ZINC000474432003 1024959790 /nfs/dbraw/zinc/95/97/90/1024959790.db2.gz KLRQFURGCXKMKA-UHFFFAOYSA-N -1 0 345.827 3.592 20 0 EHADRM O=S(=O)([N-]c1cc(C2CCCCCC2)[nH]n1)c1ccccc1F ZINC000474427952 1024962852 /nfs/dbraw/zinc/96/28/52/1024962852.db2.gz CFLIIOABKNETNR-UHFFFAOYSA-N -1 0 337.420 3.787 20 0 EHADRM Cc1ccc([C@@H](C)[C@@H](O)C(=O)Nc2cc(F)cc(Cl)c2[O-])cc1 ZINC000474436974 1024972819 /nfs/dbraw/zinc/97/28/19/1024972819.db2.gz OVTUXOBNJPWTBW-MEBBXXQBSA-N -1 0 337.778 3.596 20 0 EHADRM C[C@H]1CCC[C@H](NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)C1 ZINC000684720415 1024973038 /nfs/dbraw/zinc/97/30/38/1024973038.db2.gz YRRRVYBCPQFSLS-HJWJTTGWSA-N -1 0 330.428 3.565 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)N[C@H](C)c1oc2ccccc2c1C)C1CC1 ZINC000684722747 1025016926 /nfs/dbraw/zinc/01/69/26/1025016926.db2.gz JHGULWASXPMFGZ-DOMZBBRYSA-N -1 0 344.411 3.839 20 0 EHADRM O=S(=O)(Cc1ccccc1)[N-]c1ncc(-c2ccc(F)cc2)s1 ZINC000191760076 1025025424 /nfs/dbraw/zinc/02/54/24/1025025424.db2.gz YCPCOWCMWGXTSM-UHFFFAOYSA-N -1 0 348.424 3.891 20 0 EHADRM CCOc1cc(C(=O)NC[C@@H]2CCCC(F)(F)C2)cc(Cl)c1O ZINC000505709684 1025044094 /nfs/dbraw/zinc/04/40/94/1025044094.db2.gz UIRCJTUDTUWCGA-SNVBAGLBSA-N -1 0 347.789 4.000 20 0 EHADRM Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)c1 ZINC000071973950 1025051046 /nfs/dbraw/zinc/05/10/46/1025051046.db2.gz LIGQADYUCIEWPZ-UHFFFAOYSA-N -1 0 347.436 3.926 20 0 EHADRM Cc1nccn1-c1ccc([C@@H](C)N=c2[n-]nc(C(F)F)s2)cc1 ZINC000370803064 1025054288 /nfs/dbraw/zinc/05/42/88/1025054288.db2.gz MHNCQLVQXOZDNU-SECBINFHSA-N -1 0 335.383 3.565 20 0 EHADRM COc1cc(C)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000071977817 1025097541 /nfs/dbraw/zinc/09/75/41/1025097541.db2.gz MBAKKQLCESHYHI-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM Cc1cnc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)s1 ZINC000435714228 1025101871 /nfs/dbraw/zinc/10/18/71/1025101871.db2.gz IYGNSRQCDZXOBY-UHFFFAOYSA-N -1 0 341.216 3.698 20 0 EHADRM CO[C@H](C)c1nc(=NC(=O)C=CCc2ccc(C(C)C)cc2)s[n-]1 ZINC000511061231 1025125134 /nfs/dbraw/zinc/12/51/34/1025125134.db2.gz CIDCYJYSGZTXFC-CFHLNLSMSA-N -1 0 345.468 3.833 20 0 EHADRM Cc1cc2cc(NC(=O)N(CC(=O)[O-])C3CCCCC3)ccc2[nH]1 ZINC000684744629 1025200442 /nfs/dbraw/zinc/20/04/42/1025200442.db2.gz KJLYQJOMVFGHON-UHFFFAOYSA-N -1 0 329.400 3.728 20 0 EHADRM CC(C)[C@@H]1CCCN(C(=O)N=c2nc(-c3ccccc3)[n-]s2)C1 ZINC000444042255 1025200459 /nfs/dbraw/zinc/20/04/59/1025200459.db2.gz AEXNAAIZUNVYFR-CQSZACIVSA-N -1 0 330.457 3.527 20 0 EHADRM Cc1cc(F)cc(-c2noc(-c3nc[n-]c3C(=O)c3ccccc3)n2)c1 ZINC000515465945 1025263102 /nfs/dbraw/zinc/26/31/02/1025263102.db2.gz UTOQOPHRLBJFRB-UHFFFAOYSA-N -1 0 348.337 3.805 20 0 EHADRM CC1=C[C@@H](C)CN(C(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])C1 ZINC000436010507 1025290034 /nfs/dbraw/zinc/29/00/34/1025290034.db2.gz KPQDRRXICSQPTJ-CQSZACIVSA-N -1 0 339.439 3.740 20 0 EHADRM COc1ccc(-c2n[n-]c(=NCc3cc4c(cc(C)cc4C)[nH]3)o2)cc1 ZINC000436023588 1025307864 /nfs/dbraw/zinc/30/78/64/1025307864.db2.gz PVQYJHUPYSNLAO-UHFFFAOYSA-N -1 0 348.406 3.877 20 0 EHADRM Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000346978861 1025355989 /nfs/dbraw/zinc/35/59/89/1025355989.db2.gz DDADVKINANTCIT-UHFFFAOYSA-N -1 0 342.376 3.591 20 0 EHADRM CO[C@H](C)c1nc(=NC(=O)[C@@H](CC2CCCCC2)C(C)C)s[n-]1 ZINC000511080947 1025370282 /nfs/dbraw/zinc/37/02/82/1025370282.db2.gz RBAPOCAFPWYOER-OCCSQVGLSA-N -1 0 339.505 3.849 20 0 EHADRM O=C([O-])Cc1occc1C(=O)Nc1ccc(F)cc1OC1CCCC1 ZINC000909556169 1025376325 /nfs/dbraw/zinc/37/63/25/1025376325.db2.gz LMHFPYNHUPPDAC-UHFFFAOYSA-N -1 0 347.342 3.620 20 0 EHADRM O=C([O-])CC1(CC(=O)NCc2c(F)cccc2Cl)CCCCC1 ZINC000347094333 1025491234 /nfs/dbraw/zinc/49/12/34/1025491234.db2.gz QZPBENOBDSIPOC-UHFFFAOYSA-N -1 0 341.810 3.911 20 0 EHADRM CCCC[C@@H](NC(=O)N=c1cc(C)c(C)n[n-]1)c1ccc(OC)cc1 ZINC000467465965 1025509230 /nfs/dbraw/zinc/50/92/30/1025509230.db2.gz PYMAHMVMKAZZBD-QGZVFWFLSA-N -1 0 342.443 3.577 20 0 EHADRM O=C(c1cc(F)cc(F)c1[O-])N1CCC(c2ccc(F)cc2)CC1 ZINC000934338665 1025528929 /nfs/dbraw/zinc/52/89/29/1025528929.db2.gz GDSDEAGTCCUNLG-UHFFFAOYSA-N -1 0 335.325 3.829 20 0 EHADRM CNC(=O)c1ccc(-c2ccc(CCCCC(=O)[O-])cc2)cc1C ZINC000582192708 1025555530 /nfs/dbraw/zinc/55/55/30/1025555530.db2.gz RKMSTRPIGQZMSD-UHFFFAOYSA-N -1 0 325.408 3.819 20 0 EHADRM O=S(=O)(CCCCF)[N-]c1nc2c(ccc3ccccc23)s1 ZINC000582204020 1025587703 /nfs/dbraw/zinc/58/77/03/1025587703.db2.gz CCDTWAUOZGMFQX-UHFFFAOYSA-N -1 0 338.429 3.941 20 0 EHADRM CN(Cc1c(F)cccc1Cl)C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000515851715 1025675184 /nfs/dbraw/zinc/67/51/84/1025675184.db2.gz QPUWSFQOSYDIBF-UHFFFAOYSA-N -1 0 341.810 3.719 20 0 EHADRM O=S(=O)([N-]c1nc2ccsc2s1)c1ccc(Cl)cc1F ZINC000522821754 1025675155 /nfs/dbraw/zinc/67/51/55/1025675155.db2.gz JQQHFNRTRFDXAK-UHFFFAOYSA-N -1 0 348.833 3.951 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cccc3c2CCCC3)C1 ZINC000909495827 1025725283 /nfs/dbraw/zinc/72/52/83/1025725283.db2.gz WXFQKHYIINCQNJ-HNNXBMFYSA-N -1 0 329.440 3.528 20 0 EHADRM CCCCc1ccc([N-]S(=O)(=O)c2cnc3onc(C)c3c2)cc1 ZINC000508464177 1025739197 /nfs/dbraw/zinc/73/91/97/1025739197.db2.gz DPMZMABPSCRNQL-UHFFFAOYSA-N -1 0 345.424 3.675 20 0 EHADRM CC[C@@H](Nc1ccccc1)C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000521904759 1025757702 /nfs/dbraw/zinc/75/77/02/1025757702.db2.gz CAYSSHDPMQIUJG-CYBMUJFWSA-N -1 0 344.465 3.518 20 0 EHADRM CCCC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000347255830 1025763605 /nfs/dbraw/zinc/76/36/05/1025763605.db2.gz DTGHATNXEISIAL-SUNKGSAMSA-N -1 0 344.238 3.857 20 0 EHADRM Cc1sc(N2CCCc3c([nH]c4c3cccc4F)C2)nc1C(=O)[O-] ZINC000582303699 1025789404 /nfs/dbraw/zinc/78/94/04/1025789404.db2.gz JLWROHPESOMASK-UHFFFAOYSA-N -1 0 345.399 3.723 20 0 EHADRM Cc1ccccc1-n1nccc1CN=c1[n-]nc(C2CCCCC2)o1 ZINC000530422020 1025792399 /nfs/dbraw/zinc/79/23/99/1025792399.db2.gz DSQKWQFBKIZHNO-UHFFFAOYSA-N -1 0 337.427 3.645 20 0 EHADRM C[C@H](Cc1ccc(NS(=O)(=O)CCCC(C)(C)C)cc1)C(=O)[O-] ZINC000582304868 1025798640 /nfs/dbraw/zinc/79/86/40/1025798640.db2.gz DYKCIRHVFICNIX-CYBMUJFWSA-N -1 0 341.473 3.518 20 0 EHADRM COc1ccc(C[C@@H]2CCCN(C(=O)c3c([O-])cccc3F)C2)cc1 ZINC000436510303 1025804127 /nfs/dbraw/zinc/80/41/27/1025804127.db2.gz IQHOWSUDIJHCTL-HNNXBMFYSA-N -1 0 343.398 3.635 20 0 EHADRM Cc1cc(S(=O)(=O)[O-])c(Nc2cc(Cl)ccc2O)cc1Cl ZINC001216400809 1025834423 /nfs/dbraw/zinc/83/44/23/1025834423.db2.gz FJGYVIPRDAMFFN-UHFFFAOYSA-N -1 0 348.207 3.998 20 0 EHADRM O=C(c1ccc(F)cc1[O-])N1CCC(Cc2ccccc2F)CC1 ZINC000436551627 1025853564 /nfs/dbraw/zinc/85/35/64/1025853564.db2.gz QAJZPRXDGAGXBS-UHFFFAOYSA-N -1 0 331.362 3.765 20 0 EHADRM CC(C)(C)C1CCC(CC(=O)N2CCCC[C@H]2c2n[nH]c(=O)[n-]2)CC1 ZINC000329459430 1025868879 /nfs/dbraw/zinc/86/88/79/1025868879.db2.gz RMMUGYBLZIZWHK-NRXISQOPSA-N -1 0 348.491 3.807 20 0 EHADRM CC[C@@H](NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000324450573 1025888294 /nfs/dbraw/zinc/88/82/94/1025888294.db2.gz VLYRBZGNPAYBSC-YLJYHZDGSA-N -1 0 325.408 3.687 20 0 EHADRM C[C@@H](CNC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-])C[C@H](C)O ZINC000436561214 1025890248 /nfs/dbraw/zinc/89/02/48/1025890248.db2.gz FBQXOVKHCPJNJD-OLZOCXBDSA-N -1 0 347.842 3.849 20 0 EHADRM O=C(N[C@H]1CC[C@@H](c2ccccc2F)C1)c1cc(F)c([O-])c(F)c1 ZINC000436593146 1025910053 /nfs/dbraw/zinc/91/00/53/1025910053.db2.gz ASQPCXGWKRRUGK-PWSUYJOCSA-N -1 0 335.325 3.876 20 0 EHADRM O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)c1cc(F)cc(Cl)c1[O-] ZINC000436594709 1025911207 /nfs/dbraw/zinc/91/12/07/1025911207.db2.gz JQWVFERWVXWPBC-CJNGLKHVSA-N -1 0 349.789 3.835 20 0 EHADRM O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1c([O-])cc(Cl)cc1Cl ZINC000436594158 1025912026 /nfs/dbraw/zinc/91/20/26/1025912026.db2.gz DJOXFFLDTAYGSF-SGIREYDYSA-N -1 0 334.202 3.767 20 0 EHADRM C[C@@H]1CC[C@@H](N(C)C(=O)c2cc(Br)c(F)cc2[O-])C1 ZINC000451401776 1025927752 /nfs/dbraw/zinc/92/77/52/1025927752.db2.gz UNTYZIMRWCSEKU-RKDXNWHRSA-N -1 0 330.197 3.554 20 0 EHADRM CCCCCc1n[n-]c(=NCc2cc(-n3ccnc3)cs2)s1 ZINC000342501824 1025927597 /nfs/dbraw/zinc/92/75/97/1025927597.db2.gz CCZWWENFPOVCBN-UHFFFAOYSA-N -1 0 333.486 3.552 20 0 EHADRM Cc1c(NC(=O)c2cc(Cl)ccc2[O-])cnn1-c1ccccc1F ZINC000436600832 1025932036 /nfs/dbraw/zinc/93/20/36/1025932036.db2.gz GFCSWAFXBUILGS-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM CC[C@H]1CCc2nc(NC(=O)c3cc(F)c([O-])c(F)c3)sc2C1 ZINC000436626802 1025953867 /nfs/dbraw/zinc/95/38/67/1025953867.db2.gz LBMZHBSJIAGKEB-QMMMGPOBSA-N -1 0 338.379 3.894 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)c1 ZINC000443360891 1025954625 /nfs/dbraw/zinc/95/46/25/1025954625.db2.gz WTUSMXINWRVJLE-UHFFFAOYSA-N -1 0 328.393 3.705 20 0 EHADRM O=C(C(=O)N1C[C@H](c2ccccc2)c2ccccc21)c1ccc(O)cc1 ZINC000436628283 1025958323 /nfs/dbraw/zinc/95/83/23/1025958323.db2.gz YEOWZWLOCGPZII-LJQANCHMSA-N -1 0 343.382 3.754 20 0 EHADRM Cc1ccc([C@@H]([N-]S(=O)(=O)CC2CCCCC2)C(F)(F)F)o1 ZINC000655659804 1025963573 /nfs/dbraw/zinc/96/35/73/1025963573.db2.gz ACDYKCWBJNUJCK-CYBMUJFWSA-N -1 0 339.379 3.691 20 0 EHADRM COc1cc(F)c(NC(=O)c2cc(F)cc(Cl)c2[O-])cc1OC ZINC000436637590 1025966182 /nfs/dbraw/zinc/96/61/82/1025966182.db2.gz ZSZFMDMDNVQNBR-UHFFFAOYSA-N -1 0 343.713 3.593 20 0 EHADRM COC(=O)c1sc2ccncc2c1Nc1cc(C)cc(C(=O)[O-])c1 ZINC001211543016 1025974378 /nfs/dbraw/zinc/97/43/78/1025974378.db2.gz VACILWKWMCNNQB-UHFFFAOYSA-N -1 0 342.376 3.833 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccc(Br)o2)c1 ZINC000436650795 1025978200 /nfs/dbraw/zinc/97/82/00/1025978200.db2.gz BZWTXLHAELOFMG-UHFFFAOYSA-N -1 0 338.157 3.593 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CCCc2csc(C)n2)c1 ZINC000436651211 1025979700 /nfs/dbraw/zinc/97/97/00/1025979700.db2.gz UJAHALIJIMHDAI-UHFFFAOYSA-N -1 0 332.425 3.711 20 0 EHADRM COc1cc(Nc2cc(C)cc(C(=O)[O-])c2)c(C(C)=O)cc1OC ZINC001211543030 1025983510 /nfs/dbraw/zinc/98/35/10/1025983510.db2.gz VFUOMFFTDVDVTR-UHFFFAOYSA-N -1 0 329.352 3.657 20 0 EHADRM CCc1cccnc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C ZINC000443417837 1026008279 /nfs/dbraw/zinc/00/82/79/1026008279.db2.gz LZSBRZYNLRZWFK-UHFFFAOYSA-N -1 0 344.358 3.772 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)CCCCc2ccccc2)sc1C(=O)[O-] ZINC000909502557 1026009499 /nfs/dbraw/zinc/00/94/99/1026009499.db2.gz FXCYNHKAROSKGH-CYBMUJFWSA-N -1 0 346.452 3.740 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NC[C@H](C(=O)[O-])C2CCC2)o1 ZINC000665324518 1026025506 /nfs/dbraw/zinc/02/55/06/1026025506.db2.gz UCAKOZOIMNYLJW-KCXAZCMYSA-N -1 0 348.443 3.572 20 0 EHADRM CCC[C@@H](CC)S(=O)(=O)Nc1c(C)ccc(Cl)c1C(=O)[O-] ZINC000684844504 1026052074 /nfs/dbraw/zinc/05/20/74/1026052074.db2.gz GGXKFZQRGQDHQV-SNVBAGLBSA-N -1 0 333.837 3.667 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCC[C@H]1[C@@H]1CCCO1 ZINC000436715978 1026084375 /nfs/dbraw/zinc/08/43/75/1026084375.db2.gz RFCDCJUCBSANNW-IRXDYDNUSA-N -1 0 345.826 3.982 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCC2CC2)c(Br)c1 ZINC000075040580 1026117003 /nfs/dbraw/zinc/11/70/03/1026117003.db2.gz CXNVYSAGGKVCEK-UHFFFAOYSA-N -1 0 346.246 3.593 20 0 EHADRM CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(C(F)(F)F)cc2O)C1(C)C ZINC000436751696 1026139510 /nfs/dbraw/zinc/13/95/10/1026139510.db2.gz NAUKBQINELUICU-KBPBESRZSA-N -1 0 345.361 3.687 20 0 EHADRM Cc1nn(C)c(C)c1NC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436753268 1026141519 /nfs/dbraw/zinc/14/15/19/1026141519.db2.gz DDMRBLRAYOPJIM-UHFFFAOYSA-N -1 0 329.787 3.801 20 0 EHADRM COc1cccnc1[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000530640621 1026173043 /nfs/dbraw/zinc/17/30/43/1026173043.db2.gz FHYSYUUPEZHFMR-UHFFFAOYSA-N -1 0 340.404 3.558 20 0 EHADRM CC[C@H](CN=c1[n-]nc(C2CC2)o1)Oc1ccccc1C(F)(F)F ZINC000342538950 1026182940 /nfs/dbraw/zinc/18/29/40/1026182940.db2.gz AVHKFUIOCJRVJL-LLVKDONJSA-N -1 0 341.333 3.657 20 0 EHADRM CC(C)Oc1ncccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000511129909 1026311683 /nfs/dbraw/zinc/31/16/83/1026311683.db2.gz HIDSKXDEVHFMGX-UHFFFAOYSA-N -1 0 346.452 3.548 20 0 EHADRM Oc1cc(Br)cc(F)c1O[C@H]1CC(F)(F)C1(F)F ZINC001227591465 1026319814 /nfs/dbraw/zinc/31/98/14/1026319814.db2.gz VDJFSDQYYQBXAS-ZETCQYMHSA-N -1 0 333.050 3.716 20 0 EHADRM CSc1ccc([C@H](C)NC(=O)C[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000684881547 1026321264 /nfs/dbraw/zinc/32/12/64/1026321264.db2.gz HSLGITNCMDAGDE-GUYCJALGSA-N -1 0 343.448 3.844 20 0 EHADRM Cc1cc(NC(=O)C2(c3ccc(F)cc3)CC2)cc(C(=O)[O-])c1C ZINC000324839064 1026354148 /nfs/dbraw/zinc/35/41/48/1026354148.db2.gz COCUMUBVTVDJQI-UHFFFAOYSA-N -1 0 327.355 3.811 20 0 EHADRM O=C([O-])C1(CC(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)CCC1 ZINC000262464676 1026391145 /nfs/dbraw/zinc/39/11/45/1026391145.db2.gz GEGLGXFLHYCTPV-QGZVFWFLSA-N -1 0 340.423 3.867 20 0 EHADRM CCSCC[C@@H](C)N(C)C(=O)c1cccc(Br)c1[O-] ZINC000530958629 1026434394 /nfs/dbraw/zinc/43/43/94/1026434394.db2.gz CALIIAQENOZSNK-SNVBAGLBSA-N -1 0 346.290 3.758 20 0 EHADRM CCC[C@@H](CC1CCCCC1)C(=O)N=c1nc([C@H](C)OC)[n-]s1 ZINC000511141241 1026448379 /nfs/dbraw/zinc/44/83/79/1026448379.db2.gz RRSHFEWWINYACT-JSGCOSHPSA-N -1 0 339.505 3.993 20 0 EHADRM CCC(C)(C)N(C)C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1Cl ZINC000684895969 1026451834 /nfs/dbraw/zinc/45/18/34/1026451834.db2.gz LGVZIZGAHIEOAL-ZDUSSCGKSA-N -1 0 326.824 3.638 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000531003427 1026464818 /nfs/dbraw/zinc/46/48/18/1026464818.db2.gz OOHUGLNMXDZYEY-ZIAGYGMSSA-N -1 0 349.356 3.873 20 0 EHADRM COc1ccc(C(=O)[O-])cc1NCc1cccc2c1OC(C)(C)C2 ZINC000324984755 1026511047 /nfs/dbraw/zinc/51/10/47/1026511047.db2.gz UKBGZCSNNKGICR-UHFFFAOYSA-N -1 0 327.380 3.719 20 0 EHADRM CCOc1ccc(SCC(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000325053634 1026541754 /nfs/dbraw/zinc/54/17/54/1026541754.db2.gz QFWMNCJOUBFPQQ-UHFFFAOYSA-N -1 0 345.420 3.823 20 0 EHADRM CC(C)c1ccc(C(=O)N(C)Cc2ccc(OCC(=O)[O-])cc2)s1 ZINC000192915697 1026639469 /nfs/dbraw/zinc/63/94/69/1026639469.db2.gz RSFLGBJDKOCWRO-UHFFFAOYSA-N -1 0 347.436 3.607 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCC[C@@H]3C(C)C)n2)c1 ZINC000531226193 1026706170 /nfs/dbraw/zinc/70/61/70/1026706170.db2.gz UELKFUGMZTUYJN-QGZVFWFLSA-N -1 0 341.455 3.962 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCC[C@@H](C)[C@@H]3C)n2)c1 ZINC000531231253 1026727521 /nfs/dbraw/zinc/72/75/21/1026727521.db2.gz LJKQYCIRIWGNNS-CABCVRRESA-N -1 0 341.455 3.962 20 0 EHADRM CCC1(C(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)CCCCC1 ZINC000582608937 1026729255 /nfs/dbraw/zinc/72/92/55/1026729255.db2.gz FMSBFGYTKWCTOA-HXUWFJFHSA-N -1 0 329.440 3.602 20 0 EHADRM CCCc1nc(=NC(=O)c2cc(Cl)c(F)cc2Cl)s[n-]1 ZINC000582620586 1026779509 /nfs/dbraw/zinc/77/95/09/1026779509.db2.gz YXMZKNHIOZDCAD-UHFFFAOYSA-N -1 0 334.203 3.611 20 0 EHADRM O=C([O-])CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCC1CCC1 ZINC000431466579 1026836247 /nfs/dbraw/zinc/83/62/47/1026836247.db2.gz WBVXMCOXYOEUME-UHFFFAOYSA-N -1 0 343.345 3.699 20 0 EHADRM C[C@H](NC(=O)CC1(C(=O)[O-])CCCCCC1)c1ccc2n[nH]cc2c1 ZINC000560419141 1026908036 /nfs/dbraw/zinc/90/80/36/1026908036.db2.gz RJLPDSSOTKFUGL-ZDUSSCGKSA-N -1 0 343.427 3.555 20 0 EHADRM Cc1ccc(CNC(=O)CC2(C(=O)[O-])CCCCC2)c(OC(C)C)c1 ZINC000531503630 1026986142 /nfs/dbraw/zinc/98/61/42/1026986142.db2.gz PFRPMDHHUQQZSD-UHFFFAOYSA-N -1 0 347.455 3.824 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc(-c3nccs3)cc2)[C@@H](C(=O)[O-])C1 ZINC000582703743 1026998380 /nfs/dbraw/zinc/99/83/80/1026998380.db2.gz LFGGXNMYGQWUJV-BXUZGUMPSA-N -1 0 345.424 3.527 20 0 EHADRM CSc1ncc(Cl)c(C(=O)Nc2cc(Cl)c([O-])cc2F)n1 ZINC000582717176 1027032125 /nfs/dbraw/zinc/03/21/25/1027032125.db2.gz GQCZGFYQFZUACJ-UHFFFAOYSA-N -1 0 348.186 3.602 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1Cl ZINC000027056698 1027194347 /nfs/dbraw/zinc/19/43/47/1027194347.db2.gz NUNVZCSJUGDGTA-CHWSQXEVSA-N -1 0 337.803 3.733 20 0 EHADRM O=C(N=c1nc(-c2ccccc2)[n-]s1)c1ccc(F)c(Cl)c1 ZINC000487481962 1027207731 /nfs/dbraw/zinc/20/77/31/1027207731.db2.gz RUIGKAPNNVAHJF-UHFFFAOYSA-N -1 0 333.775 3.672 20 0 EHADRM CC(C)c1noc(=NCc2cnc(-c3c(F)cccc3F)s2)[n-]1 ZINC000453043217 1027254163 /nfs/dbraw/zinc/25/41/63/1027254163.db2.gz BUWPWAILCJXNFQ-UHFFFAOYSA-N -1 0 336.367 3.629 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)Cc2c(C)cccc2C)s[n-]1 ZINC000472251126 1027264666 /nfs/dbraw/zinc/26/46/66/1027264666.db2.gz RNSWCZULXWDGPK-UHFFFAOYSA-N -1 0 343.477 3.795 20 0 EHADRM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000614739458 1027324253 /nfs/dbraw/zinc/32/42/53/1027324253.db2.gz VUSCRTOBLBUHCA-UHFFFAOYSA-N -1 0 349.452 3.982 20 0 EHADRM CC(C)[C@H](Sc1ccccc1)C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000414442420 1027359019 /nfs/dbraw/zinc/35/90/19/1027359019.db2.gz QCIALDBREQVFPS-YJBOKZPZSA-N -1 0 335.469 3.517 20 0 EHADRM Cc1onc(-c2cccnc2)c1-c1nc(-c2ccc(O)c(F)c2)no1 ZINC000350612883 1027393926 /nfs/dbraw/zinc/39/39/26/1027393926.db2.gz QRKVQOAZYVSFAY-UHFFFAOYSA-N -1 0 338.298 3.607 20 0 EHADRM CCO[C@@H](CC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1)C1=CCCC1 ZINC000414446127 1027398410 /nfs/dbraw/zinc/39/84/10/1027398410.db2.gz IUFQVKTVBGAMAA-DYVFJYSZSA-N -1 0 331.412 3.719 20 0 EHADRM O=S(=O)([N-]c1cccc(Oc2ccccc2)c1)c1cncc(F)c1 ZINC000501841173 1027573335 /nfs/dbraw/zinc/57/33/35/1027573335.db2.gz MMYBNZBXMFDVLT-UHFFFAOYSA-N -1 0 344.367 3.814 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000392096715 1027585680 /nfs/dbraw/zinc/58/56/80/1027585680.db2.gz MSJRZMQFLLLVHQ-HNNXBMFYSA-N -1 0 344.333 3.814 20 0 EHADRM Cc1cc2cccnc2c(NC(=O)CCc2ccccc2C(=O)[O-])c1 ZINC000582762560 1027615876 /nfs/dbraw/zinc/61/58/76/1027615876.db2.gz VXLFAEGMOLODBS-UHFFFAOYSA-N -1 0 334.375 3.813 20 0 EHADRM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccn(-c2ccccc2)n1 ZINC000614781836 1027669390 /nfs/dbraw/zinc/66/93/90/1027669390.db2.gz AXQARYLTJHCGSG-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM C[C@@H]1C[C@H]1[C@@H](NC(=O)CC1(C(=O)[O-])CCC1)c1ccc(Cl)cc1 ZINC000262528366 1027679410 /nfs/dbraw/zinc/67/94/10/1027679410.db2.gz PBDFQHUNGKGDLA-XFJVYGCCSA-N -1 0 335.831 3.798 20 0 EHADRM Cc1cc(N=c2[n-]nc(C(F)F)s2)cnc1N1CCCC[C@@H]1C ZINC000503276425 1027701365 /nfs/dbraw/zinc/70/13/65/1027701365.db2.gz QUVJXHFXWNPRDN-JTQLQIEISA-N -1 0 339.415 3.723 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc3ccccc3n2)c1 ZINC000342081651 1027755309 /nfs/dbraw/zinc/75/53/09/1027755309.db2.gz HNFDPQIZWNRTQL-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cccc3c(OC)ccnc23)s1 ZINC000536610944 1027804670 /nfs/dbraw/zinc/80/46/70/1027804670.db2.gz CEXGXNVCONQICP-UHFFFAOYSA-N -1 0 348.449 3.668 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2OC(C)C)cc1C ZINC000614801493 1027809944 /nfs/dbraw/zinc/80/99/44/1027809944.db2.gz AFAPSIODOHJEEZ-UHFFFAOYSA-N -1 0 349.452 3.982 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)n2)c(C)c1 ZINC000783605362 1027843896 /nfs/dbraw/zinc/84/38/96/1027843896.db2.gz ZCFQSDSXISTAMU-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)c(Cl)n1 ZINC000783605365 1027844846 /nfs/dbraw/zinc/84/48/46/1027844846.db2.gz ZMQPDMZDEJVGKW-UHFFFAOYSA-N -1 0 349.264 3.911 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N(C)C2CCC(CC)CC2)s1 ZINC000503523317 1027851320 /nfs/dbraw/zinc/85/13/20/1027851320.db2.gz OZKASZSPWJNVFZ-UHFFFAOYSA-N -1 0 328.507 3.505 20 0 EHADRM COc1ccccc1C1(CN=c2[n-]nc(-c3ccccc3)s2)CC1 ZINC000503574785 1027917337 /nfs/dbraw/zinc/91/73/37/1027917337.db2.gz VETRZKRRQYUUBZ-UHFFFAOYSA-N -1 0 337.448 3.779 20 0 EHADRM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000035285889 1027976620 /nfs/dbraw/zinc/97/66/20/1027976620.db2.gz YWLQEJGNYWOPIU-UHFFFAOYSA-N -1 0 345.877 3.598 20 0 EHADRM O=S(=O)([N-]c1ccc2n[nH]cc2c1)c1cc(Cl)sc1Cl ZINC000031534109 1027986568 /nfs/dbraw/zinc/98/65/68/1027986568.db2.gz FNDOWPYIINYQIB-UHFFFAOYSA-N -1 0 348.236 3.732 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)N1CCCC12CCCCC2 ZINC000536256049 1027994096 /nfs/dbraw/zinc/99/40/96/1027994096.db2.gz CRGXXFYBGUOYEU-UHFFFAOYSA-N -1 0 336.439 3.896 20 0 EHADRM Cc1cc(=NC(=O)C[C@H](C)c2cccc(C(F)(F)F)c2)[n-]nc1C ZINC000523165454 1028001357 /nfs/dbraw/zinc/00/13/57/1028001357.db2.gz UUWLZLLYQSGUIE-NSHDSACASA-N -1 0 337.345 3.666 20 0 EHADRM O=C(c1c([O-])cc(Cl)cc1Cl)N1CCO[C@@H](c2ccco2)C1 ZINC000133237122 1028010597 /nfs/dbraw/zinc/01/05/97/1028010597.db2.gz LPZRFYPEOCZFHU-CYBMUJFWSA-N -1 0 342.178 3.506 20 0 EHADRM CCSc1n[n-]c(=NC(=O)NCc2cccc3ccccc32)s1 ZINC000503696503 1028063471 /nfs/dbraw/zinc/06/34/71/1028063471.db2.gz NNQGJEISJJCCOD-UHFFFAOYSA-N -1 0 344.465 3.547 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c(C)c1 ZINC000614867553 1028078244 /nfs/dbraw/zinc/07/82/44/1028078244.db2.gz JRYUEMGMXAIWSP-UHFFFAOYSA-N -1 0 343.807 3.987 20 0 EHADRM CCCCSCCC(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000472270093 1028120953 /nfs/dbraw/zinc/12/09/53/1028120953.db2.gz SWDHWZDKEZXFPW-UHFFFAOYSA-N -1 0 341.527 3.859 20 0 EHADRM O=C(CCCOc1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1O ZINC000533618841 1028163206 /nfs/dbraw/zinc/16/32/06/1028163206.db2.gz KNACQMQOLZVBBT-UHFFFAOYSA-N -1 0 349.770 3.572 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cccnc2OC(C)C)c(C)c1 ZINC000614843375 1028170223 /nfs/dbraw/zinc/17/02/23/1028170223.db2.gz HGZHCHUZFHCRKL-UHFFFAOYSA-N -1 0 334.441 3.595 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)nn1C(C)C ZINC000421172795 1028172387 /nfs/dbraw/zinc/17/23/87/1028172387.db2.gz KSFJUQSVOQRBGZ-UHFFFAOYSA-N -1 0 348.255 3.880 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CC[C@@H](C)C[C@H](C)C2)n1 ZINC000502411564 1028184107 /nfs/dbraw/zinc/18/41/07/1028184107.db2.gz AFMXVLVCORVGDG-OLZOCXBDSA-N -1 0 345.418 3.534 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2ccccc2C(=O)NC2CC2)c1 ZINC001211965086 1028270936 /nfs/dbraw/zinc/27/09/36/1028270936.db2.gz NLHDRBZRIVKZOO-UHFFFAOYSA-N -1 0 330.771 3.674 20 0 EHADRM COc1cc(OC)c(Nc2cc(Cl)cc(C(=O)[O-])c2)cc1F ZINC001211965116 1028272024 /nfs/dbraw/zinc/27/20/24/1028272024.db2.gz PBLQZKIVGQPSST-UHFFFAOYSA-N -1 0 325.723 3.938 20 0 EHADRM CN1CCN(c2cccc(Nc3cc(Cl)cc(C(=O)[O-])c3)c2)C1=O ZINC001211966574 1028284075 /nfs/dbraw/zinc/28/40/75/1028284075.db2.gz FUXIJLIXDUMPOF-UHFFFAOYSA-N -1 0 345.786 3.654 20 0 EHADRM COC(=O)c1c(F)cc(F)cc1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211967258 1028336994 /nfs/dbraw/zinc/33/69/94/1028336994.db2.gz YLSCTFUBOTZYTN-UHFFFAOYSA-N -1 0 341.697 3.847 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)N=c2[n-]nc(-c3ccsc3)s2)[C@H](C)C1 ZINC000502587959 1028382703 /nfs/dbraw/zinc/38/27/03/1028382703.db2.gz WDYNMJCONPECNA-FOGDFJRCSA-N -1 0 336.486 3.635 20 0 EHADRM Fc1ccc(Cc2n[n-]c(=N[C@H]3CSc4ccccc43)s2)cc1 ZINC000544394480 1028419502 /nfs/dbraw/zinc/41/95/02/1028419502.db2.gz JUEFDJJWQXLEAX-AWEZNQCLSA-N -1 0 343.452 3.949 20 0 EHADRM C[C@@H]1CC(NC(=O)c2cc(Cl)c3ccccc3c2[O-])C[C@@H](C)O1 ZINC000536637452 1028424302 /nfs/dbraw/zinc/42/43/02/1028424302.db2.gz PSTZQGZDBSGLQE-GHMZBOCLSA-N -1 0 333.815 3.885 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)Nc2ccccc2OC(C)C)s1 ZINC000502646029 1028464360 /nfs/dbraw/zinc/46/43/60/1028464360.db2.gz DPLWEKPVSJGGNY-UHFFFAOYSA-N -1 0 334.445 3.590 20 0 EHADRM CN(C(=O)N[C@H]1CCCc2sccc21)[C@H](C(=O)[O-])c1ccccc1 ZINC000583002673 1028501218 /nfs/dbraw/zinc/50/12/18/1028501218.db2.gz VFJFIEWFWSMSFT-HOCLYGCPSA-N -1 0 344.436 3.593 20 0 EHADRM Cc1ccccc1C(C)(C)CNC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000583027401 1028584414 /nfs/dbraw/zinc/58/44/14/1028584414.db2.gz MXXUPJDIDMFFBG-UHFFFAOYSA-N -1 0 331.456 3.670 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000236839237 1028588802 /nfs/dbraw/zinc/58/88/02/1028588802.db2.gz JROQXSIJNLMDFT-RYUDHWBXSA-N -1 0 343.345 3.569 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000236898268 1028592554 /nfs/dbraw/zinc/59/25/54/1028592554.db2.gz IIHRUVSRWQDPOZ-JKSUJKDBSA-N -1 0 347.455 3.825 20 0 EHADRM CCCc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)cc1 ZINC000236914707 1028604724 /nfs/dbraw/zinc/60/47/24/1028604724.db2.gz YIWCVQDELSXPAY-SFHVURJKSA-N -1 0 325.408 3.893 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000236914999 1028605357 /nfs/dbraw/zinc/60/53/57/1028605357.db2.gz QMUXKHBLDYBNIR-UONOGXRCSA-N -1 0 343.423 3.664 20 0 EHADRM CCc1oc2ccccc2c1CN(C)C(=O)c1cccc(C(=O)[O-])c1 ZINC000237088087 1028620203 /nfs/dbraw/zinc/62/02/03/1028620203.db2.gz STPWEMKIEVKTDG-UHFFFAOYSA-N -1 0 337.375 3.966 20 0 EHADRM CC[C@H](C)[C@H](C)C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000431517336 1028624617 /nfs/dbraw/zinc/62/46/17/1028624617.db2.gz DYAYIEMMQQTKMA-YZVOILCLSA-N -1 0 341.451 3.882 20 0 EHADRM Cc1ccc2cccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)c2n1 ZINC000074858933 1028635932 /nfs/dbraw/zinc/63/59/32/1028635932.db2.gz HWKCUDWCBUQGFB-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)[C@H](C)Sc1ccccc1)c1ccccc1 ZINC000237547004 1028653188 /nfs/dbraw/zinc/65/31/88/1028653188.db2.gz KAEPXOXFZOEAPW-JKIFEVAISA-N -1 0 343.448 3.745 20 0 EHADRM C[C@@H](CN(C)C(=O)N=c1nc(C(C)(C)C)[n-]s1)c1ccccc1 ZINC000523927943 1028719972 /nfs/dbraw/zinc/71/99/72/1028719972.db2.gz VAMDLTQSGPMNOW-LBPRGKRZSA-N -1 0 332.473 3.525 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)N2CCC[C@H](C(C)(C)C)CC2)s[n-]1 ZINC000523930754 1028721487 /nfs/dbraw/zinc/72/14/87/1028721487.db2.gz YLDFZKDJKIQDMK-LBPRGKRZSA-N -1 0 338.521 3.938 20 0 EHADRM Cc1cc(CN=c2[n-]nc(Cc3ccc(F)cc3)o2)ccc1Cl ZINC000502852377 1028752625 /nfs/dbraw/zinc/75/26/25/1028752625.db2.gz FAOZWAMVPPQOBW-UHFFFAOYSA-N -1 0 331.778 3.795 20 0 EHADRM Cc1ccc(C)c(S([O-])=CC(=O)N2CCC[C@H]3CCCC[C@H]32)c1 ZINC000247287823 1028770362 /nfs/dbraw/zinc/77/03/62/1028770362.db2.gz ZXAXFNMHEISFGO-SEPYTNNBSA-N -1 0 333.497 3.592 20 0 EHADRM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2c(F)cc(C)cc2F)c1 ZINC000424059395 1028779425 /nfs/dbraw/zinc/77/94/25/1028779425.db2.gz BIYHRUPTTKYFMH-LLVKDONJSA-N -1 0 341.379 3.781 20 0 EHADRM Cc1cc(Cl)c2ccccc2c1NC(=O)[C@H](C)O[C@H](C)C(=O)[O-] ZINC000421809328 1028794814 /nfs/dbraw/zinc/79/48/14/1028794814.db2.gz UZUDZBNNHAAVBM-WDEREUQCSA-N -1 0 335.787 3.618 20 0 EHADRM COc1cc(/C=C/c2nc(-c3ccc(O)cc3F)no2)cc(OC)c1 ZINC000445462651 1028832620 /nfs/dbraw/zinc/83/26/20/1028832620.db2.gz MAIFAMGEMWAREI-ZZXKWVIFSA-N -1 0 342.326 3.769 20 0 EHADRM COc1nc(-c2nc(-c3ccc(O)c(F)c3)no2)cc2ccccc21 ZINC000445489632 1028848994 /nfs/dbraw/zinc/84/89/94/1028848994.db2.gz ZGSCOFPPPKPYNW-UHFFFAOYSA-N -1 0 337.310 3.805 20 0 EHADRM Cc1ncc(-c2ccccc2)cc1NC(=O)NCCC(C)(C)C(=O)[O-] ZINC000424379319 1029037421 /nfs/dbraw/zinc/03/74/21/1029037421.db2.gz IDMDKJDIWIGWCF-UHFFFAOYSA-N -1 0 341.411 3.679 20 0 EHADRM CC(C)(CCNC(=O)Nc1ccccc1CCC(F)(F)F)C(=O)[O-] ZINC000424384899 1029038735 /nfs/dbraw/zinc/03/87/35/1029038735.db2.gz SLYILQFGPBZCTI-UHFFFAOYSA-N -1 0 346.349 3.804 20 0 EHADRM CC(C)(C)C[C@H]1CCN(C(=O)N=c2[n-]nc(-c3ccco3)s2)C1 ZINC000454531120 1029039560 /nfs/dbraw/zinc/03/95/60/1029039560.db2.gz YJJZHYGXUHDPAG-LLVKDONJSA-N -1 0 334.445 3.510 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccnn2[C@H](C)CC(C)C)c(C)c1 ZINC000524297751 1029059998 /nfs/dbraw/zinc/05/99/98/1029059998.db2.gz YDXRJBBMMWYSCM-OAHLLOKOSA-N -1 0 335.473 3.908 20 0 EHADRM CCC(CC)(CNC(=O)N(C)Cc1cc(Cl)ccc1F)C(=O)[O-] ZINC000424431739 1029074478 /nfs/dbraw/zinc/07/44/78/1029074478.db2.gz PLNIRHZMRMXXRM-UHFFFAOYSA-N -1 0 344.814 3.512 20 0 EHADRM COc1ccc2nc(/C=C/c3ccc(OCC(=O)[O-])cc3)sc2c1 ZINC000008322232 1029109988 /nfs/dbraw/zinc/10/99/88/1029109988.db2.gz DJPQMPSZOPMOGG-RUDMXATFSA-N -1 0 341.388 3.939 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)N[C@@H](c1ccccc1)C1CC1)c1ccsc1 ZINC000634863612 1029118088 /nfs/dbraw/zinc/11/80/88/1029118088.db2.gz MTOGVSHAXQWWRI-PKOBYXMFSA-N -1 0 343.448 3.748 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@@H](C)OC1CCCCCC1 ZINC000237394881 1029127567 /nfs/dbraw/zinc/12/75/67/1029127567.db2.gz YJRVYDLTOBAJMI-QAPCUYQASA-N -1 0 347.455 3.755 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N[C@H](C)C(C)(C)c2ccccc2)s1 ZINC000524436114 1029174705 /nfs/dbraw/zinc/17/47/05/1029174705.db2.gz BQGSHNFYVPQTBD-CYBMUJFWSA-N -1 0 346.500 3.646 20 0 EHADRM CCN(C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])[C@@H](C)C(C)C ZINC000615005555 1029230899 /nfs/dbraw/zinc/23/08/99/1029230899.db2.gz AWWJSEYWJWPDCG-LBPRGKRZSA-N -1 0 335.835 3.738 20 0 EHADRM Cc1cc([C@H](C)N2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)oc1C(=O)[O-] ZINC000583209220 1029250024 /nfs/dbraw/zinc/25/00/24/1029250024.db2.gz IBWAPNGPRWIGDE-DCGLDWPTSA-N -1 0 347.386 3.948 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000237431563 1029251380 /nfs/dbraw/zinc/25/13/80/1029251380.db2.gz ZKGPDLSKBNHCJZ-SSDOTTSWSA-N -1 0 344.845 3.508 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)Cc2cccc(OC(C)C)c2)c1 ZINC000272256118 1029384408 /nfs/dbraw/zinc/38/44/08/1029384408.db2.gz PPYMWTTURYGORY-UHFFFAOYSA-N -1 0 327.380 3.563 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2)C1 ZINC000533187964 1029448901 /nfs/dbraw/zinc/44/89/01/1029448901.db2.gz JRBZBMGASLCQLY-HNNXBMFYSA-N -1 0 339.391 3.806 20 0 EHADRM CCc1oc(C(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)cc1C(=O)[O-] ZINC000261601651 1029458594 /nfs/dbraw/zinc/45/85/94/1029458594.db2.gz BVZYZOBJSZBGAJ-GXTWGEPZSA-N -1 0 327.380 3.558 20 0 EHADRM CCc1oc(C(=O)N2CCC[C@H]2Cc2cccc(F)c2)cc1C(=O)[O-] ZINC000261628681 1029462516 /nfs/dbraw/zinc/46/25/16/1029462516.db2.gz JBBNZDJBTSGHQZ-AWEZNQCLSA-N -1 0 345.370 3.527 20 0 EHADRM CCc1oc(C(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)cc1C(=O)[O-] ZINC000261737810 1029494773 /nfs/dbraw/zinc/49/47/73/1029494773.db2.gz ZCFVMKCGQOQVQW-DGCLKSJQSA-N -1 0 331.368 3.747 20 0 EHADRM CC[C@H]1C[C@@]1(NC(=O)N=c1ccc(C2CC2)n[n-]1)c1cccc(C)c1 ZINC000505377893 1029497995 /nfs/dbraw/zinc/49/79/95/1029497995.db2.gz UWMVIHDHDQIADJ-YWZLYKJASA-N -1 0 336.439 3.531 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cccc(Cl)c1Cl ZINC000050921299 1029543681 /nfs/dbraw/zinc/54/36/81/1029543681.db2.gz HUPVITBFUYOEBN-JTQLQIEISA-N -1 0 330.211 3.853 20 0 EHADRM Cc1cc(C(=O)N(CC(=O)[O-])Cc2ccc(F)cc2)c(C)n1C(C)C ZINC000262872286 1029646360 /nfs/dbraw/zinc/64/63/60/1029646360.db2.gz GFNKSXHUZAWMLX-UHFFFAOYSA-N -1 0 346.402 3.552 20 0 EHADRM CC[C@@H](C)[C@H](C)C(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC000262932559 1029651351 /nfs/dbraw/zinc/65/13/51/1029651351.db2.gz HCZOGBANZLUNHP-CABCVRRESA-N -1 0 331.456 3.848 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000262925817 1029652248 /nfs/dbraw/zinc/65/22/48/1029652248.db2.gz JFZBJXPWVPJBLT-SJLPKXTDSA-N -1 0 331.456 3.891 20 0 EHADRM CC[C@@](CNC(=O)C(C)(C)c1cccs1)(C(=O)[O-])c1ccccc1 ZINC000263025345 1029657139 /nfs/dbraw/zinc/65/71/39/1029657139.db2.gz OXDMBTIWOLHXTF-IBGZPJMESA-N -1 0 345.464 3.575 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)Nc2cccc(C(F)F)c2Cl)C1 ZINC000263031951 1029659396 /nfs/dbraw/zinc/65/93/96/1029659396.db2.gz KQCFELNCFPSHHL-MRVPVSSYSA-N -1 0 332.734 3.606 20 0 EHADRM CCO[C@H](CNC(=O)c1cc(Cl)c(O)c(OC)c1)c1ccccc1 ZINC000446492029 1029661726 /nfs/dbraw/zinc/66/17/26/1029661726.db2.gz DVAMUBRDYCCPIN-MRXNPFEDSA-N -1 0 349.814 3.562 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2cccc(-c3cccs3)c2)C1 ZINC000263086762 1029664927 /nfs/dbraw/zinc/66/49/27/1029664927.db2.gz IKPAAKBRUNVRCD-GXTWGEPZSA-N -1 0 344.436 3.990 20 0 EHADRM CCCCN(C)c1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000263176042 1029671905 /nfs/dbraw/zinc/67/19/05/1029671905.db2.gz QRORGPJHYNCBAX-MRXNPFEDSA-N -1 0 346.471 3.640 20 0 EHADRM Cc1cccc([C@@H]2CCCCCN2C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC000263353245 1029690188 /nfs/dbraw/zinc/69/01/88/1029690188.db2.gz WFGXGQQJWGLPHR-SQNIBIBYSA-N -1 0 329.440 3.940 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N2CCC[C@H](c3ccccc3)CC2)cc1 ZINC000263365631 1029691305 /nfs/dbraw/zinc/69/13/05/1029691305.db2.gz VXTZJJDJTILJQT-SFHVURJKSA-N -1 0 337.419 3.724 20 0 EHADRM C[C@@H](C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000263394034 1029693784 /nfs/dbraw/zinc/69/37/84/1029693784.db2.gz ZDYWEXGYSNLDMX-FOGDFJRCSA-N -1 0 344.238 3.666 20 0 EHADRM CC(C)(CCC(=O)[O-])C(=O)NC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000634925187 1029693808 /nfs/dbraw/zinc/69/38/08/1029693808.db2.gz RAZPRZOPYDFQPC-UHFFFAOYSA-N -1 0 343.345 3.702 20 0 EHADRM Cc1cccc([C@@H]2CCCCN2C(=O)c2cc(C(=O)[O-])ccn2)c1C ZINC000263433071 1029697598 /nfs/dbraw/zinc/69/75/98/1029697598.db2.gz UHUJVEATCKSQJW-SFHVURJKSA-N -1 0 338.407 3.764 20 0 EHADRM CCCC[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000263514025 1029706709 /nfs/dbraw/zinc/70/67/09/1029706709.db2.gz DDVLCYCYMNEPQY-HZMBPMFUSA-N -1 0 329.799 3.937 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1cc(-c2ccc(C)o2)[nH]n1 ZINC000446635494 1029731422 /nfs/dbraw/zinc/73/14/22/1029731422.db2.gz WQGZNCNPCLOLJB-UHFFFAOYSA-N -1 0 349.437 3.501 20 0 EHADRM CCC(=O)Nc1cccc(CN=c2nc(-c3ccccc3)[n-]s2)c1 ZINC000525193135 1029737565 /nfs/dbraw/zinc/73/75/65/1029737565.db2.gz BSJBKJLDGPRFRK-UHFFFAOYSA-N -1 0 338.436 3.588 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)n1 ZINC000446758463 1029791375 /nfs/dbraw/zinc/79/13/75/1029791375.db2.gz JPEPLJPFYCZYBF-UHFFFAOYSA-N -1 0 348.852 3.830 20 0 EHADRM O=S(=O)([N-]c1cc(O)cc(F)c1)c1ccccc1-c1ccccc1 ZINC000448056739 1029841954 /nfs/dbraw/zinc/84/19/54/1029841954.db2.gz QRSAGOPRGQYAAS-UHFFFAOYSA-N -1 0 343.379 3.999 20 0 EHADRM CSc1ccc(C(=O)N=c2nc(-c3sccc3C)[n-]s2)cc1 ZINC000472287854 1029863870 /nfs/dbraw/zinc/86/38/70/1029863870.db2.gz PGPUFUGDHGKGGW-UHFFFAOYSA-N -1 0 347.490 3.971 20 0 EHADRM CCc1[nH]nc([N-]S(=O)(=O)c2ccc(C)cc2)c1-c1cccs1 ZINC000446970643 1029876224 /nfs/dbraw/zinc/87/62/24/1029876224.db2.gz DYOPIDFJRMOXJV-UHFFFAOYSA-N -1 0 347.465 3.810 20 0 EHADRM Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000119991950 1029895343 /nfs/dbraw/zinc/89/53/43/1029895343.db2.gz VTWYKKNURVWCLD-UHFFFAOYSA-N -1 0 345.342 3.845 20 0 EHADRM CO[C@@H](C)c1nc(=Nc2ccc(OCc3ccccc3)cc2)s[n-]1 ZINC000509642397 1029957024 /nfs/dbraw/zinc/95/70/24/1029957024.db2.gz XCKYEWXDWPFOQR-ZDUSSCGKSA-N -1 0 341.436 3.990 20 0 EHADRM C[C@H]1C[C@@H](CSc2n[n-]c(=Nc3ccccc3F)s2)CCO1 ZINC000447123871 1029963764 /nfs/dbraw/zinc/96/37/64/1029963764.db2.gz ZRRRHXSLAAZOAW-QWRGUYRKSA-N -1 0 339.461 3.750 20 0 EHADRM COCCCCc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[n-]1 ZINC000058477984 1030013620 /nfs/dbraw/zinc/01/36/20/1030013620.db2.gz WVHIVNVMPCKWRZ-UHFFFAOYSA-N -1 0 344.436 3.629 20 0 EHADRM Cc1noc2ncc(S(=O)(=O)[N-]c3ccc(C4CCC4)cc3)cc12 ZINC000447266686 1030052600 /nfs/dbraw/zinc/05/26/00/1030052600.db2.gz MBQXEPRBAJGUFV-UHFFFAOYSA-N -1 0 343.408 3.600 20 0 EHADRM Cc1cc(NC(=O)N(C)C2(C(=O)[O-])CCCC2)ccc1OC(C)C ZINC000583543400 1030084095 /nfs/dbraw/zinc/08/40/95/1030084095.db2.gz IIVCDRMDKJJWJJ-UHFFFAOYSA-N -1 0 334.416 3.643 20 0 EHADRM Cc1n[nH]cc1[N-]S(=O)(=O)c1c(C)sc2ccc(Cl)cc21 ZINC000090231474 1030094713 /nfs/dbraw/zinc/09/47/13/1030094713.db2.gz ZKXJXUMQLAXDTE-UHFFFAOYSA-N -1 0 341.845 3.695 20 0 EHADRM COC(=O)c1ccc(=NC(c2ccccc2C)c2ccccc2C)[n-]n1 ZINC000612799306 1030102575 /nfs/dbraw/zinc/10/25/75/1030102575.db2.gz WTWQDKSSKHLPQQ-UHFFFAOYSA-N -1 0 347.418 3.503 20 0 EHADRM Cc1nocc1[N-]S(=O)(=O)c1ccc(-c2ccc(C)cc2)cc1 ZINC000201422307 1030107705 /nfs/dbraw/zinc/10/77/05/1030107705.db2.gz VDRQRFVYLCQIIN-UHFFFAOYSA-N -1 0 328.393 3.759 20 0 EHADRM CCCN(C(=O)N=c1[n-]nc(-c2cc(C)cc(C)c2)s1)C1CC1 ZINC000481948479 1030137309 /nfs/dbraw/zinc/13/73/09/1030137309.db2.gz AMQIOJYNPYGPOO-UHFFFAOYSA-N -1 0 330.457 3.650 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)CSc2ccc(C)cc2)s1 ZINC000042318213 1030140853 /nfs/dbraw/zinc/14/08/53/1030140853.db2.gz APZVXHOQVFQTSI-UHFFFAOYSA-N -1 0 341.479 3.802 20 0 EHADRM CCCOc1ccc([N-]S(=O)(=O)c2sccc2OC)c(C)c1 ZINC000120973951 1030142319 /nfs/dbraw/zinc/14/23/19/1030142319.db2.gz LCYMGZOGBPZYMI-UHFFFAOYSA-N -1 0 341.454 3.655 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-n3cccc3)cc2)s1 ZINC000042316973 1030146023 /nfs/dbraw/zinc/14/60/23/1030146023.db2.gz YEOWKYFNEGHTKK-UHFFFAOYSA-N -1 0 346.433 3.541 20 0 EHADRM C[C@@H](Oc1ccc(F)cc1)C(=O)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000042318892 1030152712 /nfs/dbraw/zinc/15/27/12/1030152712.db2.gz GYZCVKABTAQGHY-XZHRJIJLSA-N -1 0 349.383 3.550 20 0 EHADRM CCn1cc(CC(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)cn1 ZINC000550792001 1030154752 /nfs/dbraw/zinc/15/47/52/1030154752.db2.gz HRRSJRWAICBJEM-UHFFFAOYSA-N -1 0 348.617 3.750 20 0 EHADRM Cc1oc(-c2ccccc2)nc1C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000482015157 1030173850 /nfs/dbraw/zinc/17/38/50/1030173850.db2.gz QSPVEKHWHAKRTQ-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2C[C@H](C)C[C@@H](C)[C@@H]2C)n1 ZINC000476549928 1030177231 /nfs/dbraw/zinc/17/72/31/1030177231.db2.gz VBWMKWCVXNVHMX-BZPMIXESSA-N -1 0 345.418 3.532 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2C[C@H](C)C[C@@H](C)[C@H]2C)n1 ZINC000476549939 1030178903 /nfs/dbraw/zinc/17/89/03/1030178903.db2.gz VBWMKWCVXNVHMX-YRGRVCCFSA-N -1 0 345.418 3.532 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)c2ccc(Oc3ccccc3)o2)s1 ZINC000482123036 1030224600 /nfs/dbraw/zinc/22/46/00/1030224600.db2.gz OHYXKQHVEJYDJH-UHFFFAOYSA-N -1 0 343.408 3.895 20 0 EHADRM O=C([O-])C1(CC(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)CCCCCC1 ZINC000532009447 1030230648 /nfs/dbraw/zinc/23/06/48/1030230648.db2.gz ALTIIJJFOIJUTH-ZHALLVOQSA-N -1 0 341.451 3.504 20 0 EHADRM CN(C[C@H]1CC=CCC1)C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000447530216 1030253695 /nfs/dbraw/zinc/25/36/95/1030253695.db2.gz NOEIMVOTAGVCSP-ZDUSSCGKSA-N -1 0 345.830 3.660 20 0 EHADRM CC(C)CCn1nccc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC000583605996 1030266122 /nfs/dbraw/zinc/26/61/22/1030266122.db2.gz WUWZQPPVBCXFGU-UHFFFAOYSA-N -1 0 333.457 3.607 20 0 EHADRM COc1cc(Br)cnc1Nc1ccc(C)c(C(=O)[O-])c1 ZINC001211591835 1030335935 /nfs/dbraw/zinc/33/59/35/1030335935.db2.gz DPCCLNXXEJUSAT-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM c1ccc(-c2n[n-]c(=NCc3cccc(-c4ccccn4)c3)o2)cc1 ZINC000508605388 1030377148 /nfs/dbraw/zinc/37/71/48/1030377148.db2.gz SAYAHLQHERAWQP-UHFFFAOYSA-N -1 0 328.375 3.833 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cccc(Cl)c2Cl)CC[C@@H]1C(=O)[O-] ZINC000313979031 1030383806 /nfs/dbraw/zinc/38/38/06/1030383806.db2.gz PGTASYSWLIIXEZ-IUCAKERBSA-N -1 0 331.199 3.568 20 0 EHADRM O=S(=O)([O-])c1cc(Cl)ccc1Nc1ccc(-c2ncc[nH]2)cc1 ZINC001213090013 1030397104 /nfs/dbraw/zinc/39/71/04/1030397104.db2.gz POLMYVHSNPDANA-UHFFFAOYSA-N -1 0 349.799 3.720 20 0 EHADRM O=C(Cc1cccc(Cl)c1Cl)NCc1ccc(O)c(F)c1 ZINC000194367916 1030467271 /nfs/dbraw/zinc/46/72/71/1030467271.db2.gz NTRFRJCXQGIVMA-UHFFFAOYSA-N -1 0 328.170 3.697 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)c3c(C)onc3-c3ccccc3)[nH][n-]2)o1 ZINC000447798092 1030481445 /nfs/dbraw/zinc/48/14/45/1030481445.db2.gz REPNZFDYNYIIKI-UHFFFAOYSA-N -1 0 348.362 3.616 20 0 EHADRM COc1cccc([C@H](C)CC(=O)N=c2cc(-c3ccc(C)o3)[n-][nH]2)c1 ZINC000447799640 1030484097 /nfs/dbraw/zinc/48/40/97/1030484097.db2.gz KRLCNDFXWMOELC-GFCCVEGCSA-N -1 0 339.395 3.541 20 0 EHADRM CCC[C@@H]1CCCN(C(=O)N=c2nc(-c3ccsc3)[n-]s2)C1 ZINC000448007564 1030664146 /nfs/dbraw/zinc/66/41/46/1030664146.db2.gz ARRUHMPAWSMYLQ-LLVKDONJSA-N -1 0 336.486 3.733 20 0 EHADRM Cc1cc(C)c2nc(C3CC3)cc(C(=O)N(C)[C@@H](C)CC(=O)[O-])c2c1 ZINC000583764875 1030673166 /nfs/dbraw/zinc/67/31/66/1030673166.db2.gz XUXIGCOXIRWXMU-ZDUSSCGKSA-N -1 0 340.423 3.664 20 0 EHADRM CC(C)n1cc(S(=O)(=O)[N-]c2cccc(OC3CCCC3)c2)cn1 ZINC000157608594 1030687954 /nfs/dbraw/zinc/68/79/54/1030687954.db2.gz SAHWHFZRNUQNIL-UHFFFAOYSA-N -1 0 349.456 3.586 20 0 EHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000194216115 1030698834 /nfs/dbraw/zinc/69/88/34/1030698834.db2.gz RDFUJQQHYRPQKI-UHFFFAOYSA-N -1 0 345.342 3.823 20 0 EHADRM Cc1ccc(C(=O)N=c2nc(-c3ccccc3)[n-]s2)cc1Cl ZINC000482785774 1030712011 /nfs/dbraw/zinc/71/20/11/1030712011.db2.gz ZZDCBRLEWGWBJL-UHFFFAOYSA-N -1 0 329.812 3.841 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)NC(c1ccccc1)c1ccccc1 ZINC000448156257 1030777346 /nfs/dbraw/zinc/77/73/46/1030777346.db2.gz ODOLRKVNFKLTDB-UHFFFAOYSA-N -1 0 344.418 3.687 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(c2ncnc3ccsc32)CC1 ZINC000668168552 1030831779 /nfs/dbraw/zinc/83/17/79/1030831779.db2.gz DFGWETMXDKVCSJ-UHFFFAOYSA-N -1 0 339.420 3.774 20 0 EHADRM CC[C@H](C)CN(CC)C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000194263001 1030832102 /nfs/dbraw/zinc/83/21/02/1030832102.db2.gz WOGTZKOJRZMSMD-LBPRGKRZSA-N -1 0 335.835 3.740 20 0 EHADRM CC(C)c1cccc(-c2ccc(C(=O)N3CC[C@](F)(C(=O)[O-])C3)o2)c1 ZINC000262765076 1030848528 /nfs/dbraw/zinc/84/85/28/1030848528.db2.gz LNYWDKYZXXIALY-LJQANCHMSA-N -1 0 345.370 3.709 20 0 EHADRM CN1CCN(C(=O)c2ccc3ccccc3c2O)c2cc(F)ccc21 ZINC000537673249 1030921647 /nfs/dbraw/zinc/92/16/47/1030921647.db2.gz GMQRQXITYDIVLN-UHFFFAOYSA-N -1 0 336.366 3.781 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)N=c2ccc(-c3ccccc3)n[n-]2)c(C)o1 ZINC000343451341 1030949462 /nfs/dbraw/zinc/94/94/62/1030949462.db2.gz YCAIDACMZBDHLQ-CYBMUJFWSA-N -1 0 336.395 3.658 20 0 EHADRM CC(C)(C)[C@@H]1CCN(C(=O)N=c2nc(-c3ccsc3)[n-]s2)C1 ZINC000583852047 1030949893 /nfs/dbraw/zinc/94/98/93/1030949893.db2.gz JYOFRXNTHZLMST-LLVKDONJSA-N -1 0 336.486 3.588 20 0 EHADRM Cc1c(S(=O)(=O)[N-]c2cccc(F)c2C)c2ccccc2n1C ZINC000551107785 1031039117 /nfs/dbraw/zinc/03/91/17/1031039117.db2.gz DICLZTAVSWPKES-UHFFFAOYSA-N -1 0 332.400 3.735 20 0 EHADRM CCOC(=O)c1sc(Nc2ccc(C)c(C(=O)[O-])c2)nc1C1CC1 ZINC001211602128 1031061224 /nfs/dbraw/zinc/06/12/24/1031061224.db2.gz ZSDSUTSHJASGHP-UHFFFAOYSA-N -1 0 346.408 3.947 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)no1 ZINC000476925947 1031087270 /nfs/dbraw/zinc/08/72/70/1031087270.db2.gz PSWGJOACKITVIG-UHFFFAOYSA-N -1 0 334.441 3.652 20 0 EHADRM CN=c1[n-]nc(SCc2nc(C3CCCCC3)cs2)s1 ZINC000583909860 1031105066 /nfs/dbraw/zinc/10/50/66/1031105066.db2.gz BZBSUMAJUYBSLY-UHFFFAOYSA-N -1 0 326.516 3.798 20 0 EHADRM O=C(N=c1cc(-c2ccccc2F)o[nH]1)c1ccc2ccccc2n1 ZINC000448492225 1031140418 /nfs/dbraw/zinc/14/04/18/1031140418.db2.gz ZAEULYANKPGSTD-UHFFFAOYSA-N -1 0 333.322 3.703 20 0 EHADRM Cc1sc(/C=C/c2ccc(OCC(F)F)cc2)nc1C(=O)[O-] ZINC000559192185 1031206869 /nfs/dbraw/zinc/20/68/69/1031206869.db2.gz ZQWRGJOUIOQKDQ-QPJJXVBHSA-N -1 0 325.336 3.964 20 0 EHADRM Cc1cc(N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)ncc1Br ZINC000650776303 1031253337 /nfs/dbraw/zinc/25/33/37/1031253337.db2.gz UAJAECFIQSDXJS-JSGCOSHPSA-N -1 0 347.212 3.878 20 0 EHADRM COc1cc2c(c(CNc3cc(C(=O)[O-])ccc3C)c1)O[C@@H](C)C2 ZINC000551422463 1031317611 /nfs/dbraw/zinc/31/76/11/1031317611.db2.gz DMRFIYCONSYALY-LBPRGKRZSA-N -1 0 327.380 3.637 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000315461652 1031367858 /nfs/dbraw/zinc/36/78/58/1031367858.db2.gz BJEPTGMAYFVZIM-UHFFFAOYSA-N -1 0 338.190 3.664 20 0 EHADRM Cc1cc(Cl)cc(C)c1CN=c1[n-]nc(-c2ccccn2)s1 ZINC000483840728 1031370668 /nfs/dbraw/zinc/37/06/68/1031370668.db2.gz VRDXNSXGQGKNHN-UHFFFAOYSA-N -1 0 330.844 3.904 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Cc1cccc(C2CC2)c1)c1ccccc1 ZINC000668272532 1031371993 /nfs/dbraw/zinc/37/19/93/1031371993.db2.gz GXVZMCLYEDSQDU-JLTOFOAXSA-N -1 0 337.419 3.685 20 0 EHADRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2cnoc2CC)c1 ZINC000551475442 1031376819 /nfs/dbraw/zinc/37/68/19/1031376819.db2.gz QNNQDAICCOREKG-UHFFFAOYSA-N -1 0 328.821 3.644 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccsc2Cl)[C@@H]2CCCC[C@@H]12 ZINC000668294998 1031411427 /nfs/dbraw/zinc/41/14/27/1031411427.db2.gz HUHMFSCQTWOSTC-HOSYDEDBSA-N -1 0 327.833 3.507 20 0 EHADRM CCC(CC)(CNC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000668298222 1031420698 /nfs/dbraw/zinc/42/06/98/1031420698.db2.gz RDICWMSZWPGIFM-SHTZXODSSA-N -1 0 349.446 3.891 20 0 EHADRM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000668298813 1031423537 /nfs/dbraw/zinc/42/35/37/1031423537.db2.gz KZHQWQYXAPOWJD-SFHVURJKSA-N -1 0 341.407 3.546 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000668301465 1031433964 /nfs/dbraw/zinc/43/39/64/1031433964.db2.gz KYEPXILDNYTOHI-LBPRGKRZSA-N -1 0 333.306 3.527 20 0 EHADRM CN(C(=O)CC(C)(C)C(=O)[O-])c1ccc(OCc2ccccc2)cc1 ZINC000668318325 1031466343 /nfs/dbraw/zinc/46/63/43/1031466343.db2.gz LHZSIWJGYJCNNF-UHFFFAOYSA-N -1 0 341.407 3.729 20 0 EHADRM O=C(N=c1ccc(C(F)(F)F)n[n-]1)c1cc2c(s1)CCCCC2 ZINC000484145621 1031470451 /nfs/dbraw/zinc/47/04/51/1031470451.db2.gz MJSPMWWUERKKRS-UHFFFAOYSA-N -1 0 341.358 3.500 20 0 EHADRM O=C(N=c1[n-]nc(/C=C\c2ccco2)s1)NCCC1=CCCCC1 ZINC000484170462 1031482349 /nfs/dbraw/zinc/48/23/49/1031482349.db2.gz QJNBQRLJHBAEFI-HJWRWDBZSA-N -1 0 344.440 3.735 20 0 EHADRM Cc1ccc([C@H]2CCN(C(=O)Cc3cccc(C(=O)[O-])c3)C2)c(C)c1 ZINC000668322368 1031485957 /nfs/dbraw/zinc/48/59/57/1031485957.db2.gz RXXAJAHZSPMXRK-SFHVURJKSA-N -1 0 337.419 3.560 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)NCC(F)(F)C(C)(C)C)C(=O)[O-] ZINC000668325878 1031487588 /nfs/dbraw/zinc/48/75/88/1031487588.db2.gz FFOHRPIJQWUHRO-SNVBAGLBSA-N -1 0 345.411 3.663 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NCC(F)(F)C(C)(C)C)C(=O)[O-] ZINC000668325877 1031488533 /nfs/dbraw/zinc/48/85/33/1031488533.db2.gz FFOHRPIJQWUHRO-JTQLQIEISA-N -1 0 345.411 3.663 20 0 EHADRM CN(Cc1ccccc1)C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000176938106 1031507026 /nfs/dbraw/zinc/50/70/26/1031507026.db2.gz JBWBCBGZTSAGAF-UHFFFAOYSA-N -1 0 341.798 3.504 20 0 EHADRM CCc1cccc(S(=O)(=O)Nc2ccccc2N2CCCC2)c1 ZINC000083577306 1031514022 /nfs/dbraw/zinc/51/40/22/1031514022.db2.gz KUGXLINDYDOOBO-UHFFFAOYSA-N -1 0 330.453 3.650 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2nnc(C(C)(C)C)o2)cc1 ZINC000194790370 1031514700 /nfs/dbraw/zinc/51/47/00/1031514700.db2.gz HOPLRKRZMQDKIN-NSHDSACASA-N -1 0 337.445 3.681 20 0 EHADRM Cc1ccc(Nc2ccc3c(c2)C(C)(C)NC(=O)N3)cc1C(=O)[O-] ZINC001211608004 1031546159 /nfs/dbraw/zinc/54/61/59/1031546159.db2.gz IJIHWOMGHXSWBW-UHFFFAOYSA-N -1 0 325.368 3.807 20 0 EHADRM CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000484459922 1031593719 /nfs/dbraw/zinc/59/37/19/1031593719.db2.gz VSHXDVGHCOJDAL-UHFFFAOYSA-N -1 0 341.864 3.836 20 0 EHADRM Cn1c(Cl)nc(Cl)c1CNc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000904014426 1031600864 /nfs/dbraw/zinc/60/08/64/1031600864.db2.gz RENREDSINANEMF-UHFFFAOYSA-N -1 0 342.226 3.701 20 0 EHADRM CCOc1cncc(CNc2ccc(S[C@H](C)C(=O)[O-])cc2)c1 ZINC000904017611 1031606489 /nfs/dbraw/zinc/60/64/89/1031606489.db2.gz LOTDYTGYOPGMJO-GFCCVEGCSA-N -1 0 332.425 3.658 20 0 EHADRM Cc1coc(C[NH2+][C@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)c1 ZINC000904011169 1031627540 /nfs/dbraw/zinc/62/75/40/1031627540.db2.gz ZVWMIFPIWIKGCF-CQSZACIVSA-N -1 0 327.302 3.912 20 0 EHADRM CC(C)[C@H]1C[C@@](NCc2nccn2C(C)C)(C(=O)[O-])c2ccccc21 ZINC000904011053 1031628552 /nfs/dbraw/zinc/62/85/52/1031628552.db2.gz WTWUQPNEWHGWQL-UZLBHIALSA-N -1 0 341.455 3.677 20 0 EHADRM COc1cc(C)cc(CNc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c1OC ZINC000904027166 1031672136 /nfs/dbraw/zinc/67/21/36/1031672136.db2.gz WZNSFSZBLVPFOD-DLBZAZTESA-N -1 0 341.407 3.812 20 0 EHADRM Cc1ccc(-c2ccc(C[NH2+][C@H](CCCC(=O)[O-])C(=O)[O-])s2)cc1 ZINC000904055886 1031679576 /nfs/dbraw/zinc/67/95/76/1031679576.db2.gz RYPYWQPCXPKZTH-OAHLLOKOSA-N -1 0 347.436 3.521 20 0 EHADRM CC[C@H](NCc1ccc(OC)c(C(C)(C)C)c1)c1nc(C(=O)[O-])c[nH]1 ZINC000904064295 1031689162 /nfs/dbraw/zinc/68/91/62/1031689162.db2.gz IBMKOBRTIYLNQW-AWEZNQCLSA-N -1 0 345.443 3.655 20 0 EHADRM Cc1cc(C(=O)N=c2ccc(-c3ccccc3)n[n-]2)c(C(F)(F)F)o1 ZINC000472311077 1031708645 /nfs/dbraw/zinc/70/86/45/1031708645.db2.gz CAVOFURKXOHYNB-UHFFFAOYSA-N -1 0 347.296 3.738 20 0 EHADRM Cc1ccc(-n2cc(Br)c3cccc(N)c32)cc1C(=O)[O-] ZINC001211610188 1031782301 /nfs/dbraw/zinc/78/23/01/1031782301.db2.gz JPVKHMSXWHLHPD-UHFFFAOYSA-N -1 0 345.196 3.982 20 0 EHADRM Cc1ccc(-c2ncco2)cc1N[C@H]1C[C@@H](NC(=O)[O-])C12CCC2 ZINC000904201046 1031846729 /nfs/dbraw/zinc/84/67/29/1031846729.db2.gz XOMDBDZDCBSASY-LSDHHAIUSA-N -1 0 327.384 3.641 20 0 EHADRM Cc1ncc(-c2ccc(N[C@H]3C[C@@H](NC(=O)[O-])C34CCC4)cc2)o1 ZINC000904200096 1031847307 /nfs/dbraw/zinc/84/73/07/1031847307.db2.gz QTGNSXLTCGFORM-JKSUJKDBSA-N -1 0 327.384 3.641 20 0 EHADRM Cc1ccc(N[C@H]2C[C@H](NC(=O)[O-])C23CCC3)cc1OC(F)F ZINC000904200705 1031847673 /nfs/dbraw/zinc/84/76/73/1031847673.db2.gz ZVDVASXTZNTIRE-STQMWFEESA-N -1 0 326.343 3.587 20 0 EHADRM Cc1ncc(-c2ccc(N[C@@H]3C[C@@H](NC(=O)[O-])C34CCC4)cc2)o1 ZINC000904200095 1031848058 /nfs/dbraw/zinc/84/80/58/1031848058.db2.gz QTGNSXLTCGFORM-HZPDHXFCSA-N -1 0 327.384 3.641 20 0 EHADRM O=C([O-])C1CCC(CC(=O)NCc2ccc(C(F)(F)F)cc2)CC1 ZINC000584175004 1031861515 /nfs/dbraw/zinc/86/15/15/1031861515.db2.gz DXBUHXFBLDDVJE-UHFFFAOYSA-N -1 0 343.345 3.603 20 0 EHADRM O=C([O-])N[C@@H]1C[C@@H](Nc2cnn(-c3ccccc3Cl)c2)C12CCC2 ZINC000904225981 1031862039 /nfs/dbraw/zinc/86/20/39/1031862039.db2.gz OEJKLWDPFJBTPO-HUUCEWRRSA-N -1 0 346.818 3.516 20 0 EHADRM CC[C@H](C)n1ncc(N[C@@H]2C[C@@H](NC(=O)[O-])C23CCC3)c1C1CC1 ZINC000904228145 1031866214 /nfs/dbraw/zinc/86/62/14/1031866214.db2.gz KFBBGCZKEPXCOK-NILFDRSVSA-N -1 0 332.448 3.722 20 0 EHADRM CC(C)Cn1ncc(N[C@H]2C[C@H](NC(=O)[O-])C23CCC3)c1C(C)C ZINC000904229016 1031868140 /nfs/dbraw/zinc/86/81/40/1031868140.db2.gz ZYNKWQMHXFFJIH-GJZGRUSLSA-N -1 0 334.464 3.653 20 0 EHADRM CC(C)Oc1c(F)cc(N[C@@H]2C[C@H](NC(=O)[O-])C23CCC3)cc1F ZINC000904231324 1031870849 /nfs/dbraw/zinc/87/08/49/1031870849.db2.gz RZYFXSIGCVELKO-KGLIPLIRSA-N -1 0 340.370 3.743 20 0 EHADRM O=C(Nc1ccccc1Cl)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000180881013 1031919470 /nfs/dbraw/zinc/91/94/70/1031919470.db2.gz PHMHLVRMOSOPKC-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM CCCc1nc(=NC(=O)c2ccc(Cl)cc2SCC)s[n-]1 ZINC000460674471 1031952204 /nfs/dbraw/zinc/95/22/04/1031952204.db2.gz WTFCKPIMQRGYGX-UHFFFAOYSA-N -1 0 341.889 3.930 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(C(F)(F)F)nc1 ZINC000181196381 1031953193 /nfs/dbraw/zinc/95/31/93/1031953193.db2.gz VFMJTPAVTUDTAL-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM C[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1cccc(F)c1F ZINC000195030429 1031966949 /nfs/dbraw/zinc/96/69/49/1031966949.db2.gz FHZQBWOOYYWMRE-ZETCQYMHSA-N -1 0 329.705 3.954 20 0 EHADRM CC(C)(C)c1nc(CN(CCC(=O)[O-])Cc2ccccc2)cs1 ZINC000659790898 1031969730 /nfs/dbraw/zinc/96/97/30/1031969730.db2.gz ZRGGXWRLSXQYCN-UHFFFAOYSA-N -1 0 332.469 3.918 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@@H]2C[C@H]2c2ccccc2F)CCCCCC1 ZINC000666112020 1031999865 /nfs/dbraw/zinc/99/98/65/1031999865.db2.gz CBGQUFFDGNZPIX-GOEBONIOSA-N -1 0 333.403 3.613 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1cccc(-c2nc[nH]n2)c1 ZINC000159313746 1032008951 /nfs/dbraw/zinc/00/89/51/1032008951.db2.gz MFDTVJILCNJIMK-UHFFFAOYSA-N -1 0 349.177 3.736 20 0 EHADRM COC(=O)c1cc(Nc2ccc(C(=O)[O-])cc2C)c(OC)cc1Cl ZINC001211624334 1033324844 /nfs/dbraw/zinc/32/48/44/1033324844.db2.gz CPAUWOXIMBYSCS-UHFFFAOYSA-N -1 0 349.770 3.885 20 0 EHADRM CS[C@@H](C)CC(=O)N1CCC([C@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000598662640 1033362057 /nfs/dbraw/zinc/36/20/57/1033362057.db2.gz SLFOUCXTSYTDBZ-WMLDXEAASA-N -1 0 349.496 3.625 20 0 EHADRM CCCc1n[n-]c(=NCc2c(OC(F)F)ccc3ccccc32)o1 ZINC000537490244 1033389403 /nfs/dbraw/zinc/38/94/03/1033389403.db2.gz DGNVJYUKYYLYAN-UHFFFAOYSA-N -1 0 333.338 3.811 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N[C@@H](CC2CC2)c2ccccc2)s1 ZINC000608264078 1033558199 /nfs/dbraw/zinc/55/81/99/1033558199.db2.gz LJKURMFMGMEBBY-HNNXBMFYSA-N -1 0 344.484 3.966 20 0 EHADRM CC[C@H](NC(=O)NC1CCC(C(=O)[O-])CC1)c1cc(C)ccc1C ZINC000529224494 1033625647 /nfs/dbraw/zinc/62/56/47/1033625647.db2.gz YVOFPYLLJMKTEE-DQPZFDDXSA-N -1 0 332.444 3.697 20 0 EHADRM O=C(Nc1cc(F)c(F)c(F)c1)c1noc(-c2cccc(F)c2)n1 ZINC000081443491 1033749235 /nfs/dbraw/zinc/74/92/35/1033749235.db2.gz ATKWVTRDUGHRMZ-UHFFFAOYSA-N -1 0 337.232 3.545 20 0 EHADRM O=C([O-])CCC(=O)Nc1ccc(Nc2csc3cnccc23)cc1 ZINC001213182725 1033826560 /nfs/dbraw/zinc/82/65/60/1033826560.db2.gz KPQSHPXEAMTLSO-UHFFFAOYSA-N -1 0 341.392 3.843 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000608755066 1033862124 /nfs/dbraw/zinc/86/21/24/1033862124.db2.gz KAVKJDWFPPWFAP-IAGOWNOFSA-N -1 0 331.412 3.717 20 0 EHADRM CCCSc1nc(=NC(=O)N[C@@H](CC)c2cccs2)s[n-]1 ZINC000476483915 1033937858 /nfs/dbraw/zinc/93/78/58/1033937858.db2.gz OTYXBOMKJWVZEB-VIFPVBQESA-N -1 0 342.515 3.796 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1-n1cc(Br)c2cccc(N)c21 ZINC001211629131 1033953934 /nfs/dbraw/zinc/95/39/34/1033953934.db2.gz ZHWYUTWEJRAAFY-UHFFFAOYSA-N -1 0 345.196 3.982 20 0 EHADRM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2ccccn2)c1Cl ZINC000612052513 1033961608 /nfs/dbraw/zinc/96/16/08/1033961608.db2.gz FWIBSTGMMGEIPU-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM O=C(Cc1cccc(Br)c1)Nc1cccc(Cl)c1[O-] ZINC000172355376 1033984947 /nfs/dbraw/zinc/98/49/47/1033984947.db2.gz CVTWBAIYHGTINN-UHFFFAOYSA-N -1 0 340.604 3.989 20 0 EHADRM O=C([O-])C1CCN(C(=O)c2ccc(-c3cc(F)cc(F)c3)cc2)CC1 ZINC000514615385 1034005657 /nfs/dbraw/zinc/00/56/57/1034005657.db2.gz VYZXCKTUDVCFQB-UHFFFAOYSA-N -1 0 345.345 3.569 20 0 EHADRM COCCCOc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000057121011 1034094768 /nfs/dbraw/zinc/09/47/68/1034094768.db2.gz JMMMUJLXJMKDGM-UHFFFAOYSA-N -1 0 349.452 3.520 20 0 EHADRM COc1ccc(OC)c([C@H]2CCCN2C(=O)c2c([O-])cccc2F)c1 ZINC000119133199 1034097114 /nfs/dbraw/zinc/09/71/14/1034097114.db2.gz CVTHJXOTTKNNGK-OAHLLOKOSA-N -1 0 345.370 3.526 20 0 EHADRM O=S(=O)([N-]c1nc2ccccc2s1)c1cccc2ncccc21 ZINC000171146667 1034158167 /nfs/dbraw/zinc/15/81/67/1034158167.db2.gz NHFRFFFJIVQXEM-UHFFFAOYSA-N -1 0 341.417 3.645 20 0 EHADRM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1scnc1C1CC1 ZINC000534237750 1034281102 /nfs/dbraw/zinc/28/11/02/1034281102.db2.gz XNSSRGPHOFFYNK-UHFFFAOYSA-N -1 0 328.846 3.783 20 0 EHADRM COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OCC(=O)[O-] ZINC000007718244 1034312686 /nfs/dbraw/zinc/31/26/86/1034312686.db2.gz ZQQGDAMTXVHHFH-SOFGYWHQSA-N -1 0 346.766 3.708 20 0 EHADRM CC(C)(C)Cc1nc2cc(NC(=O)CC(C)(C)C(=O)[O-])ccc2o1 ZINC000604413524 1034370513 /nfs/dbraw/zinc/37/05/13/1034370513.db2.gz HBYRWGKLBVVDKM-UHFFFAOYSA-N -1 0 332.400 3.856 20 0 EHADRM CC(=O)N[C@H](CC(=O)[O-])c1ccc(-c2ccc(OC(C)C)cc2)cc1 ZINC000514872109 1034379082 /nfs/dbraw/zinc/37/90/82/1034379082.db2.gz BXHYOGDWMIQGQD-LJQANCHMSA-N -1 0 341.407 3.793 20 0 EHADRM CCOC(=O)c1csc(=N[C@@H](C)c2cc3cccc(F)c3o2)[n-]1 ZINC000450476868 1034393773 /nfs/dbraw/zinc/39/37/73/1034393773.db2.gz SHWBCDWWBAKYHD-VIFPVBQESA-N -1 0 334.372 3.800 20 0 EHADRM O=C(N=c1nc(-c2ccsc2)[n-]s1)C12CC3CC(CC(C3)C1)C2 ZINC000596904750 1034448591 /nfs/dbraw/zinc/44/85/91/1034448591.db2.gz JUSNLFHCZBBHHO-UHFFFAOYSA-N -1 0 345.493 3.843 20 0 EHADRM CC1(C)CN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)C[C@H]1c1ccccc1 ZINC000450537937 1034510961 /nfs/dbraw/zinc/51/09/61/1034510961.db2.gz DWULKWVHKSFOLK-ZACQAIPSSA-N -1 0 329.440 3.530 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)nc1 ZINC000604839290 1034521143 /nfs/dbraw/zinc/52/11/43/1034521143.db2.gz MMIARWRQGKRUOA-UHFFFAOYSA-N -1 0 336.482 3.838 20 0 EHADRM C[C@@H](C1CCC1)N(C)C(=O)c1cc(Br)c(F)cc1[O-] ZINC000450559367 1034521354 /nfs/dbraw/zinc/52/13/54/1034521354.db2.gz FISBXLWZJCFFES-QMMMGPOBSA-N -1 0 330.197 3.554 20 0 EHADRM COCCc1nc(=N[C@H](c2ccc(F)c(Cl)c2)C2CC2)s[n-]1 ZINC000450681821 1034680482 /nfs/dbraw/zinc/68/04/82/1034680482.db2.gz NCOUSHSFUREGDY-AWEZNQCLSA-N -1 0 341.839 3.505 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)nnc1C ZINC000605432346 1034733647 /nfs/dbraw/zinc/73/36/47/1034733647.db2.gz XXROPIFRZBZLBM-UHFFFAOYSA-N -1 0 347.484 3.809 20 0 EHADRM CCCCOc1ccc(C(=O)N=c2cccn[n-]2)cc1OCCCC ZINC000605469150 1034750813 /nfs/dbraw/zinc/75/08/13/1034750813.db2.gz YNKLLNYSTUUDEQ-UHFFFAOYSA-N -1 0 343.427 3.509 20 0 EHADRM COc1c(F)cc(F)cc1NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000761225233 1034817603 /nfs/dbraw/zinc/81/76/03/1034817603.db2.gz FFMHDVVDCAYJIX-UHFFFAOYSA-N -1 0 336.319 3.656 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1ccc2c(c1)CCCC(=O)N2 ZINC000605888092 1034839219 /nfs/dbraw/zinc/83/92/19/1034839219.db2.gz DHFKGLFEMFRRBC-UHFFFAOYSA-N -1 0 330.771 3.573 20 0 EHADRM CCS[C@H]1CCC[C@@H](NC(=O)c2c(C)ccc(C)c2C(=O)[O-])C1 ZINC000601987961 1034848520 /nfs/dbraw/zinc/84/85/20/1034848520.db2.gz CXAWTKIXQJCEAK-KGLIPLIRSA-N -1 0 335.469 3.796 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-])c(Cl)c1 ZINC000601987332 1034848803 /nfs/dbraw/zinc/84/88/03/1034848803.db2.gz GYUVDNRDEBETDD-NXEZZACHSA-N -1 0 345.848 3.661 20 0 EHADRM Cc1ccc2c(C)cc(-n3[n-]c(=O)c4ccccc4c3=O)nc2c1C ZINC000612372942 1034854915 /nfs/dbraw/zinc/85/49/15/1034854915.db2.gz IYIUKNAVKCDNBH-UHFFFAOYSA-N -1 0 331.375 3.565 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)cc1 ZINC000606145843 1034874317 /nfs/dbraw/zinc/87/43/17/1034874317.db2.gz MZBSJZNGOSBLDV-UHFFFAOYSA-N -1 0 347.465 3.892 20 0 EHADRM Cn1[n-]c(C(=O)N[C@H](c2cccc(Cl)c2)C2CCCCC2)cc1=O ZINC000612399590 1034886981 /nfs/dbraw/zinc/88/69/81/1034886981.db2.gz BWLLBKVWBGKDSK-KRWDZBQOSA-N -1 0 347.846 3.831 20 0 EHADRM Cc1csc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)c1 ZINC000450965937 1034992593 /nfs/dbraw/zinc/99/25/93/1034992593.db2.gz IVSYTUXJYMKEOB-UHFFFAOYSA-N -1 0 336.482 3.848 20 0 EHADRM CC(C)c1cc([N-]S(=O)(=O)Cc2c(F)cccc2Cl)no1 ZINC000450973389 1034997967 /nfs/dbraw/zinc/99/79/67/1034997967.db2.gz JWUOOEFLEAHZJY-UHFFFAOYSA-N -1 0 332.784 3.532 20 0 EHADRM Cc1scnc1[N-]S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC000530140510 1035002190 /nfs/dbraw/zinc/00/21/90/1035002190.db2.gz LAAROQXDIQBSEE-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM Cc1scnc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C ZINC000530141536 1035002309 /nfs/dbraw/zinc/00/23/09/1035002309.db2.gz ZXASHYRGNGGTHI-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM Cc1csc(S(=O)(=O)[N-]c2cccc(C3CCOCC3)c2)c1 ZINC000530144726 1035002878 /nfs/dbraw/zinc/00/28/78/1035002878.db2.gz JRBDXIJJDMZAFI-UHFFFAOYSA-N -1 0 337.466 3.751 20 0 EHADRM Cc1ccc(NC(=O)COc2ccccc2C(C)C)cc1C(=O)[O-] ZINC000391585113 1035038354 /nfs/dbraw/zinc/03/83/54/1035038354.db2.gz VXNDMIXGUKJANQ-UHFFFAOYSA-N -1 0 327.380 3.834 20 0 EHADRM O=C(c1ccc2oc(=O)nc-2[n-]1)N1CCC[C@H]1CCC1CCCC1 ZINC000612578419 1035073421 /nfs/dbraw/zinc/07/34/21/1035073421.db2.gz NDCUAKMLMFDACJ-ZDUSSCGKSA-N -1 0 329.400 3.503 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)NCC(C)(C)C(F)(F)F)s1 ZINC000548988577 1035398134 /nfs/dbraw/zinc/39/81/34/1035398134.db2.gz NJXRPWRMKMJITG-UHFFFAOYSA-N -1 0 343.436 3.912 20 0 EHADRM CO[C@@H](C)c1nc(=Nc2ccc3c(c2)nc(C(C)(C)C)n3C)s[n-]1 ZINC000548999783 1035423016 /nfs/dbraw/zinc/42/30/16/1035423016.db2.gz AKNMWUSGUPOJIG-JTQLQIEISA-N -1 0 345.472 3.595 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)NC[C@H]1CCCC1(F)F)C1CCCCC1 ZINC000414093405 1035482042 /nfs/dbraw/zinc/48/20/42/1035482042.db2.gz NXCXSECLELGMBN-CJNGLKHVSA-N -1 0 331.403 3.599 20 0 EHADRM CC(C)(C(=O)[N-]OCc1cccc(OC(F)F)c1)c1ccccc1 ZINC000066468933 1035486849 /nfs/dbraw/zinc/48/68/49/1035486849.db2.gz ARUVFGULDMFSHF-UHFFFAOYSA-N -1 0 335.350 3.814 20 0 EHADRM CC[C@@H](C(=O)N=c1ccc(-c2ccccc2)n[n-]1)c1ccc(OC)cc1 ZINC000540617283 1035505720 /nfs/dbraw/zinc/50/57/20/1035505720.db2.gz GTZDXZYQJVEZAQ-GOSISDBHSA-N -1 0 347.418 3.706 20 0 EHADRM CC(C)c1cccc(-c2ccc(C(=O)NC[C@H](C)CC(=O)[O-])o2)c1 ZINC000431791975 1035516504 /nfs/dbraw/zinc/51/65/04/1035516504.db2.gz AJOVHNHMADIVEC-CYBMUJFWSA-N -1 0 329.396 3.911 20 0 EHADRM CCC(CC)N(CC(C)C)C(=O)CSc1n[n-]c(=S)s1 ZINC000178020627 1035531772 /nfs/dbraw/zinc/53/17/72/1035531772.db2.gz WXWSFVIOUKHPBN-UHFFFAOYSA-N -1 0 333.548 3.966 20 0 EHADRM C[C@@H](CNC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1)CC(F)(F)F ZINC000414113478 1035573485 /nfs/dbraw/zinc/57/34/85/1035573485.db2.gz YUBDUBKYWKWTBR-ABAIWWIYSA-N -1 0 337.382 3.752 20 0 EHADRM O=C(/C=C/c1ccc(-n2cncn2)cc1)c1cc(Cl)ccc1[O-] ZINC000156680335 1035588887 /nfs/dbraw/zinc/58/88/87/1035588887.db2.gz BPVWWLZLHTURLZ-XVNBXDOJSA-N -1 0 325.755 3.522 20 0 EHADRM CC[C@H](C)C(=O)CSc1n[n-]c(=Nc2cccc(F)c2)s1 ZINC000534792325 1035605941 /nfs/dbraw/zinc/60/59/41/1035605941.db2.gz QFWKTYAMIRUKCY-VIFPVBQESA-N -1 0 325.434 3.550 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1[nH]c2ccccc2c1Cl)C1CCCCC1 ZINC000540712828 1035618784 /nfs/dbraw/zinc/61/87/84/1035618784.db2.gz JXTLAGICVUHMKP-CQSZACIVSA-N -1 0 348.830 3.975 20 0 EHADRM CC(C)Cc1n[n-]c(=NCc2ccc(Cl)cc2Br)o1 ZINC000540792041 1035685692 /nfs/dbraw/zinc/68/56/92/1035685692.db2.gz PFHAPMHEOOQRFD-UHFFFAOYSA-N -1 0 344.640 3.718 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)C=Cc2ccnc3ccccc23)c1 ZINC000492369168 1035689708 /nfs/dbraw/zinc/68/97/08/1035689708.db2.gz OLGVXUUAFIGGFM-CLFYSBASSA-N -1 0 332.359 3.795 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2cccn2Cc2ccccc2)c1 ZINC000310369849 1035696053 /nfs/dbraw/zinc/69/60/53/1035696053.db2.gz UYUPBNBZNMSZGP-UHFFFAOYSA-N -1 0 338.338 3.626 20 0 EHADRM CC(C)(C)c1n[n-]c(=NCc2ccc(OC(F)F)c(F)c2)s1 ZINC000540808725 1035701368 /nfs/dbraw/zinc/70/13/68/1035701368.db2.gz HFYMHFUCGHOCHH-UHFFFAOYSA-N -1 0 331.363 3.610 20 0 EHADRM C[C@H](N=c1[n-]c(-c2ccccc2)no1)c1ccccc1OC(F)F ZINC000588160094 1035732173 /nfs/dbraw/zinc/73/21/73/1035732173.db2.gz CEIAWAVBNSPZQC-NSHDSACASA-N -1 0 331.322 3.933 20 0 EHADRM CC[C@H](C)CSc1n[n-]c(=Nc2cccc(NC(C)=O)c2)s1 ZINC000540858142 1035741171 /nfs/dbraw/zinc/74/11/71/1035741171.db2.gz ARXCFYCQKBBGSP-JTQLQIEISA-N -1 0 336.486 3.800 20 0 EHADRM C[C@@H]1CCC[C@@H](N(C)C(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])C1 ZINC000666170222 1035782355 /nfs/dbraw/zinc/78/23/55/1035782355.db2.gz PUQRKYRMXQMXBP-DGCLKSJQSA-N -1 0 349.381 3.507 20 0 EHADRM O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)[C@H]1CCCc2ccccc21 ZINC000045100320 1035845275 /nfs/dbraw/zinc/84/52/75/1035845275.db2.gz JJEFACVOKOVWKX-KRWDZBQOSA-N -1 0 347.411 3.732 20 0 EHADRM COc1cncc(/C=C/C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC000492489202 1035886210 /nfs/dbraw/zinc/88/62/10/1035886210.db2.gz LISGKJYUTHMVEG-NSCUHMNNSA-N -1 0 339.178 3.755 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CC[C@@H](C4CC4)C3)n2)c1 ZINC000535019660 1035907798 /nfs/dbraw/zinc/90/77/98/1035907798.db2.gz VYQLYHNUEVXBOP-MRXNPFEDSA-N -1 0 339.439 3.573 20 0 EHADRM C[C@@H](CC(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1)c1ccccc1 ZINC000263105906 1035938916 /nfs/dbraw/zinc/93/89/16/1035938916.db2.gz FUAWEUCMDLCKSB-SNRMKQJTSA-N -1 0 337.419 3.507 20 0 EHADRM Cc1c(C(=O)Nc2ccc(F)c(F)c2[O-])cnn1C1CCCCC1 ZINC000457300217 1035955705 /nfs/dbraw/zinc/95/57/05/1035955705.db2.gz UVEXUQYOJWMVHG-UHFFFAOYSA-N -1 0 335.354 3.933 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1cnc(-c2ccccc2)s1 ZINC000535067274 1035987003 /nfs/dbraw/zinc/98/70/03/1035987003.db2.gz DQJLFCUWPVRZFT-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM C[C@H](Oc1cccc(-c2cccc(CO[C@@H]3CCOC3)c2)c1)C(=O)[O-] ZINC000572379647 1036094214 /nfs/dbraw/zinc/09/42/14/1036094214.db2.gz MOHFQDNLMNJQCV-IFXJQAMLSA-N -1 0 342.391 3.511 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cc(C)ccc2C)nn1[C@H](C)C1CC1 ZINC000541302154 1036189320 /nfs/dbraw/zinc/18/93/20/1036189320.db2.gz AQMAIPCNZCLHQF-CQSZACIVSA-N -1 0 333.457 3.580 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2OC(F)F)cc1F ZINC000175014745 1036203340 /nfs/dbraw/zinc/20/33/40/1036203340.db2.gz ILOAHBFSEGUNMD-UHFFFAOYSA-N -1 0 345.342 3.845 20 0 EHADRM Cc1cccc(N(C)S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)c1 ZINC000589148556 1036277812 /nfs/dbraw/zinc/27/78/12/1036277812.db2.gz DTIVNYFHECFAJY-UHFFFAOYSA-N -1 0 347.436 3.642 20 0 EHADRM CC(C)C[C@@H](C)n1nccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000589270870 1036335022 /nfs/dbraw/zinc/33/50/22/1036335022.db2.gz KMUAIXJQWHSHAC-CQSZACIVSA-N -1 0 347.484 3.780 20 0 EHADRM CC(C)OCc1ccc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC000263144578 1036363891 /nfs/dbraw/zinc/36/38/91/1036363891.db2.gz MYHNVLDDDYSVBU-INIZCTEOSA-N -1 0 335.444 3.621 20 0 EHADRM CCc1c(C(=O)Nc2cc(Cl)c([O-])cc2F)cnn1C(C)(C)C ZINC000557936416 1036405892 /nfs/dbraw/zinc/40/58/92/1036405892.db2.gz FIQPRSVMVOQPAQ-UHFFFAOYSA-N -1 0 339.798 3.951 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@@H](CC(F)F)c2ccccc2)CCCCC1 ZINC000572832101 1036512445 /nfs/dbraw/zinc/51/24/45/1036512445.db2.gz YEESVOQTWLLHAE-AWEZNQCLSA-N -1 0 339.382 3.924 20 0 EHADRM CC(=O)Nc1ccc(O)c(C(=O)N2CCC3(CCCCC3)CC2)c1 ZINC000102483358 1036534890 /nfs/dbraw/zinc/53/48/90/1036534890.db2.gz RVZXMNUBYQLILB-UHFFFAOYSA-N -1 0 330.428 3.537 20 0 EHADRM O=C([O-])c1cc(NCc2ccc(OC(F)F)cc2)ccc1[N+](=O)[O-] ZINC000013181205 1036563061 /nfs/dbraw/zinc/56/30/61/1036563061.db2.gz UGQAWJBFLONGQQ-UHFFFAOYSA-N -1 0 338.266 3.507 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)N(C)Cc2ccc(OCC(=O)[O-])cc2)CC1 ZINC000249304035 1036590094 /nfs/dbraw/zinc/59/00/94/1036590094.db2.gz MOROVPBICZNNSS-QAQDUYKDSA-N -1 0 347.455 3.571 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2ccc3cccc(Br)c3n2)C1 ZINC000263169890 1036603069 /nfs/dbraw/zinc/60/30/69/1036603069.db2.gz JFNYZHNZLXWEIG-ZYHUDNBSSA-N -1 0 349.228 3.544 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000263217571 1036638220 /nfs/dbraw/zinc/63/82/20/1036638220.db2.gz XWRTXGHYZMRCGZ-GDBMZVCRSA-N -1 0 335.469 3.803 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000263217573 1036638411 /nfs/dbraw/zinc/63/84/11/1036638411.db2.gz XWRTXGHYZMRCGZ-HOCLYGCPSA-N -1 0 335.469 3.803 20 0 EHADRM CC(C)[C@H](NC(=O)N=c1ncn(C2CCCCC2)[n-]1)c1ccccc1 ZINC000541794466 1036651184 /nfs/dbraw/zinc/65/11/84/1036651184.db2.gz BMCDQIMDRPNTMY-KRWDZBQOSA-N -1 0 341.459 3.724 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)[C@@H]2C[C@]23CCc2ccccc23)cc1)C(=O)[O-] ZINC000249626514 1036653010 /nfs/dbraw/zinc/65/30/10/1036653010.db2.gz UDPFJKHONWJDHU-LNHNDHHWSA-N -1 0 349.430 3.792 20 0 EHADRM Cc1cccc(OCCCCC(=O)N=c2nc(C(C)(C)C)[n-]s2)c1 ZINC000589936409 1036667223 /nfs/dbraw/zinc/66/72/23/1036667223.db2.gz SNZDDSHREVOZOZ-UHFFFAOYSA-N -1 0 347.484 3.754 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)CCCc2ccc(Cl)cc2)s[n-]1 ZINC000589937522 1036668177 /nfs/dbraw/zinc/66/81/77/1036668177.db2.gz KKVJNMADNQCLEA-UHFFFAOYSA-N -1 0 337.876 3.872 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)CCc2cc3ccccc3o2)s[n-]1 ZINC000589937644 1036686516 /nfs/dbraw/zinc/68/65/16/1036686516.db2.gz XIYITFJVDXECHR-UHFFFAOYSA-N -1 0 329.425 3.575 20 0 EHADRM O=C([O-])c1cc(/C=C/c2cc(Cl)ccc2Br)ncn1 ZINC000535593937 1036699277 /nfs/dbraw/zinc/69/92/77/1036699277.db2.gz OXWYUCUBNBQSBD-HNQUOIGGSA-N -1 0 339.576 3.761 20 0 EHADRM Cc1ccc(CN(C(=O)c2ccc(C(=O)[O-])c(C)n2)C2CC2)cc1C ZINC000263308573 1036764797 /nfs/dbraw/zinc/76/47/97/1036764797.db2.gz FWFFBVCPFXGKQD-UHFFFAOYSA-N -1 0 338.407 3.510 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)CCCOCc2ccccc2)c1 ZINC000263331976 1036792145 /nfs/dbraw/zinc/79/21/45/1036792145.db2.gz QDXGHTBKORPUMK-OAHLLOKOSA-N -1 0 341.407 3.810 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000263345106 1036804676 /nfs/dbraw/zinc/80/46/76/1036804676.db2.gz TUZJKJPYAIHYCW-RHSMWYFYSA-N -1 0 341.407 3.979 20 0 EHADRM Cc1ccc(C)c(CC(=O)Nc2ccc(Br)cc2O)c1 ZINC000590269328 1036833892 /nfs/dbraw/zinc/83/38/92/1036833892.db2.gz VCSVTGFDZITGCC-UHFFFAOYSA-N -1 0 334.213 3.953 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000237645809 1036839597 /nfs/dbraw/zinc/83/95/97/1036839597.db2.gz BNOGKOMNFCDMOQ-SJLPKXTDSA-N -1 0 339.435 3.548 20 0 EHADRM Cc1ccc(CCCC(=O)N(C)[C@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000263401728 1036850840 /nfs/dbraw/zinc/85/08/40/1036850840.db2.gz FHSVJZVQINJMNP-QGZVFWFLSA-N -1 0 345.464 3.534 20 0 EHADRM C[C@H](NC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1)[C@H](C)C(=O)[O-] ZINC000263412848 1036878753 /nfs/dbraw/zinc/87/87/53/1036878753.db2.gz HILVCHLVXFIDDH-UWVGGRQHSA-N -1 0 344.238 3.641 20 0 EHADRM O=C([O-])CC[C@@H](CC1CCCCC1)NC(=O)c1ccncc1Cl ZINC000263420381 1036900503 /nfs/dbraw/zinc/90/05/03/1036900503.db2.gz PGJNHPPUUFYVRT-ZDUSSCGKSA-N -1 0 338.835 3.669 20 0 EHADRM Cc1c(F)cccc1[N-]S(=O)(=O)c1ccccc1-c1ccno1 ZINC000542005170 1036969541 /nfs/dbraw/zinc/96/95/41/1036969541.db2.gz WSSCQCMUXBGQJQ-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM CCC(CC)c1n[n-]c(=NCc2c[nH]c(-c3ccccc3)n2)s1 ZINC000539708981 1037099782 /nfs/dbraw/zinc/09/97/82/1037099782.db2.gz IOVAPUHHXQIHLD-UHFFFAOYSA-N -1 0 327.457 3.866 20 0 EHADRM COc1cc(S(=O)(=O)[N-]c2scnc2C(C)C)ccc1Cl ZINC000414376670 1037105627 /nfs/dbraw/zinc/10/56/27/1037105627.db2.gz ACIPTRYLUFMHPG-UHFFFAOYSA-N -1 0 346.861 3.729 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2c(C)cccc2Cl)cc1C ZINC000414376984 1037119767 /nfs/dbraw/zinc/11/97/67/1037119767.db2.gz BCQYNKZUWKARPZ-LLVKDONJSA-N -1 0 341.864 3.925 20 0 EHADRM CCC[C@@H](C(=O)[O-])[S@@](=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000590900693 1037129750 /nfs/dbraw/zinc/12/97/50/1037129750.db2.gz CSOLWMNZTSTQQT-FVINQWEUSA-N -1 0 328.739 3.720 20 0 EHADRM C[C@@H]1C[C@@H](CC(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)CC(C)(C)C1 ZINC000590961041 1037143181 /nfs/dbraw/zinc/14/31/81/1037143181.db2.gz OCFMQZOOAXDMOJ-OLZOCXBDSA-N -1 0 343.427 3.821 20 0 EHADRM O=S(=O)(Cc1ccccc1)[N-][C@@H](C1CCCCC1)C(F)(F)F ZINC000542239283 1037203942 /nfs/dbraw/zinc/20/39/42/1037203942.db2.gz DBPXFVVPOFIRBE-AWEZNQCLSA-N -1 0 335.391 3.617 20 0 EHADRM Cc1cccc([C@@H](NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)C(C)(C)C)c1 ZINC000666535210 1037209064 /nfs/dbraw/zinc/20/90/64/1037209064.db2.gz ZTPKGNNSVONZNZ-MAUKXSAKSA-N -1 0 346.471 3.979 20 0 EHADRM CCc1ccc(O)c(C(=O)N2CCC[C@H]2Cc2cccc(F)c2)c1 ZINC000539841171 1037267938 /nfs/dbraw/zinc/26/79/38/1037267938.db2.gz SGCZAXRJYFSFIG-KRWDZBQOSA-N -1 0 327.399 3.941 20 0 EHADRM CC(C)(C)C(F)(F)CNC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC001167706687 1037281479 /nfs/dbraw/zinc/28/14/79/1037281479.db2.gz MYXJKRPMJLNZOE-UHFFFAOYSA-N -1 0 325.277 3.822 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1ccccc1OC1CCCC1 ZINC000659120673 1037308501 /nfs/dbraw/zinc/30/85/01/1037308501.db2.gz SMEHNOCTZWTYHM-UHFFFAOYSA-N -1 0 329.352 3.860 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000659139699 1037355371 /nfs/dbraw/zinc/35/53/71/1037355371.db2.gz GMGOOYGHGLQTPB-MGPLVRAMSA-N -1 0 331.343 3.649 20 0 EHADRM CCCN(C(=O)c1cc(C(=O)[O-])oc1C)[C@H]1CCc2ccccc2C1 ZINC000659139602 1037356003 /nfs/dbraw/zinc/35/60/03/1037356003.db2.gz FNTCMKDPUJXWEF-INIZCTEOSA-N -1 0 341.407 3.696 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)C1CCC2(CC2)CC1 ZINC000659141635 1037360927 /nfs/dbraw/zinc/36/09/27/1037360927.db2.gz DGTWWDDCMNLGKJ-UHFFFAOYSA-N -1 0 329.440 3.850 20 0 EHADRM CCc1ccc([O-])c(C(=O)N=c2[nH]n(C3CCCCC3)cc2C)c1 ZINC000542423742 1037373484 /nfs/dbraw/zinc/37/34/84/1037373484.db2.gz OZLJXRXNHQEPEF-UHFFFAOYSA-N -1 0 327.428 3.639 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000659147775 1037381322 /nfs/dbraw/zinc/38/13/22/1037381322.db2.gz NIXLXOWWUJNLGX-ZJUUUORDSA-N -1 0 331.343 3.573 20 0 EHADRM Cc1ccc(C(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)s1 ZINC000058035214 1037388671 /nfs/dbraw/zinc/38/86/71/1037388671.db2.gz WQMYAQYGFUPJPX-UHFFFAOYSA-N -1 0 333.434 3.678 20 0 EHADRM CCCN(C[C@H]1CCCCO1)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000177152311 1037401780 /nfs/dbraw/zinc/40/17/80/1037401780.db2.gz AHVSINMXQMUXOA-GFCCVEGCSA-N -1 0 329.799 3.606 20 0 EHADRM Cc1cccc(C)c1[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000659168289 1037410594 /nfs/dbraw/zinc/41/05/94/1037410594.db2.gz UWXBLTIDKYZJEB-ZACQAIPSSA-N -1 0 329.440 3.858 20 0 EHADRM CC(C)c1occc1C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC000659183049 1037433223 /nfs/dbraw/zinc/43/32/23/1037433223.db2.gz UVRIFUDGXJKNPB-OAHLLOKOSA-N -1 0 341.407 3.951 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2cccc(C(C)(C)C)c2)n1 ZINC000659183889 1037435839 /nfs/dbraw/zinc/43/58/39/1037435839.db2.gz ZTOZPKFIDIIKAC-OAHLLOKOSA-N -1 0 343.427 3.859 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)[C@H](C)c2ccc(Cl)cc2)n1 ZINC000659183865 1037437486 /nfs/dbraw/zinc/43/74/86/1037437486.db2.gz ZLBSXNIPPFLLJC-BXUZGUMPSA-N -1 0 349.818 3.705 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@H](c2ccc(F)cc2)C2CCC2)s1 ZINC000591481268 1037444799 /nfs/dbraw/zinc/44/47/99/1037444799.db2.gz PBVBUQGKNWWVIU-HNNXBMFYSA-N -1 0 348.447 3.715 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2coc3ccc(F)cc23)[C@H]2CCCC[C@@H]12 ZINC000659187945 1037452247 /nfs/dbraw/zinc/45/22/47/1037452247.db2.gz AWCMAEXZAQLNDN-ZENOOKHLSA-N -1 0 345.370 3.677 20 0 EHADRM O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)c1ccc([O-])c(Cl)c1 ZINC000171092518 1037453321 /nfs/dbraw/zinc/45/33/21/1037453321.db2.gz UECIYKLUCZFZBE-IAGOWNOFSA-N -1 0 331.799 3.696 20 0 EHADRM Cc1cccc2cc(C(=O)N3CC[C@H](C(=O)[O-])[C@H]4CCCC[C@@H]43)oc21 ZINC000659195324 1037454136 /nfs/dbraw/zinc/45/41/36/1037454136.db2.gz OXPPVXHEWGRYIE-PMPSAXMXSA-N -1 0 341.407 3.847 20 0 EHADRM Cc1ccc(CCCC(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)s1 ZINC000659191589 1037459971 /nfs/dbraw/zinc/45/99/71/1037459971.db2.gz DKRHWXKVORIEGG-YESZJQIVSA-N -1 0 349.496 3.871 20 0 EHADRM Cc1cc(C)cc(CCC(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)c1 ZINC000659194183 1037464712 /nfs/dbraw/zinc/46/47/12/1037464712.db2.gz SDLYQUGMIBPBAA-CEXWTWQISA-N -1 0 343.467 3.728 20 0 EHADRM O=S(=O)([N-]c1cncc2ccccc21)c1ccc2c(c1)CCCC2 ZINC000540040652 1037509489 /nfs/dbraw/zinc/50/94/89/1037509489.db2.gz YNRVPSSDPCXETB-UHFFFAOYSA-N -1 0 338.432 3.914 20 0 EHADRM Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)sc1-c1ccccc1 ZINC000659225103 1037518681 /nfs/dbraw/zinc/51/86/81/1037518681.db2.gz DIHUPTLOCQRTDR-HIFRSBDPSA-N -1 0 343.448 3.906 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)CCc1ccc2ccccc2c1 ZINC000659235064 1037544399 /nfs/dbraw/zinc/54/43/99/1037544399.db2.gz IPOKFVBVVYMYSI-PXNSSMCTSA-N -1 0 325.408 3.532 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)c1ccccc1Cc1ccccc1 ZINC000659234152 1037556358 /nfs/dbraw/zinc/55/63/58/1037556358.db2.gz HPYZKWIGYIAWDE-WIYYLYMNSA-N -1 0 337.419 3.651 20 0 EHADRM O=C([O-])[C@@H](CC(=O)N[C@H](c1ccccc1)C1CCC1)c1ccccc1 ZINC000591689731 1037558192 /nfs/dbraw/zinc/55/81/92/1037558192.db2.gz BGMRLOXNKQNOHT-AZUAARDMSA-N -1 0 337.419 3.903 20 0 EHADRM O=C([O-])[C@H](CC(=O)N[C@H](c1ccccc1)C1CCC1)c1ccccc1 ZINC000591689739 1037559179 /nfs/dbraw/zinc/55/91/79/1037559179.db2.gz BGMRLOXNKQNOHT-UYAOXDASSA-N -1 0 337.419 3.903 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000659239817 1037560535 /nfs/dbraw/zinc/56/05/35/1037560535.db2.gz WCPPZXCTPZSMCL-WIRSXHRWSA-N -1 0 337.419 3.703 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)N[C@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000659241836 1037566335 /nfs/dbraw/zinc/56/63/35/1037566335.db2.gz XYQRAVZHUAINEW-XJKSGUPXSA-N -1 0 341.860 3.825 20 0 EHADRM Cc1[n-]n(-c2cc(C)ccc2C)c(=O)c1C(=O)Nc1cccc(C)c1C ZINC000505776199 1037571200 /nfs/dbraw/zinc/57/12/00/1037571200.db2.gz IKPYCORZDGZOEF-LJQANCHMSA-N -1 0 349.434 3.898 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)CCc1c(Cl)cccc1Cl ZINC000659243917 1037573202 /nfs/dbraw/zinc/57/32/02/1037573202.db2.gz WZUXUQYMJLJQNJ-CJNGLKHVSA-N -1 0 344.238 3.686 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1C ZINC000540290707 1037784879 /nfs/dbraw/zinc/78/48/79/1037784879.db2.gz DGCXBGXHCBOEOR-UHFFFAOYSA-N -1 0 347.383 3.935 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2cc(C)ccc2F)c1C ZINC000540292307 1037788325 /nfs/dbraw/zinc/78/83/25/1037788325.db2.gz OMGFNENIWLSWJU-UHFFFAOYSA-N -1 0 325.430 3.965 20 0 EHADRM Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)c2ccccc2n1 ZINC000669435209 1037833152 /nfs/dbraw/zinc/83/31/52/1037833152.db2.gz YNSPNZIPQJUHQD-INIZCTEOSA-N -1 0 346.386 3.762 20 0 EHADRM CCCn1cc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)cn1 ZINC000174745447 1037877415 /nfs/dbraw/zinc/87/74/15/1037877415.db2.gz COEHEOFDMWGTDD-UHFFFAOYSA-N -1 0 341.436 3.761 20 0 EHADRM CSc1cccc(NC(=O)N=c2[n-]nc(CC(C)C)s2)c1C ZINC000540401653 1037893194 /nfs/dbraw/zinc/89/31/94/1037893194.db2.gz NSTPWPAKIIBMPK-UHFFFAOYSA-N -1 0 336.486 3.833 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000183406088 1037947658 /nfs/dbraw/zinc/94/76/58/1037947658.db2.gz WTOPCGBSNYAGBJ-UHFFFAOYSA-N -1 0 325.286 3.849 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)c1cc2cc(C(F)(F)F)ccc2s1 ZINC000573982726 1037963825 /nfs/dbraw/zinc/96/38/25/1037963825.db2.gz DQLKEOUGMMQJFD-MRVPVSSYSA-N -1 0 345.342 3.903 20 0 EHADRM CCC[C@H](C)NC(=O)N=c1[n-]nc([C@@H](CC)c2ccccc2)s1 ZINC000592472369 1037978486 /nfs/dbraw/zinc/97/84/86/1037978486.db2.gz KJELPYDBWJNYIT-JSGCOSHPSA-N -1 0 332.473 3.812 20 0 EHADRM O=C(Nc1cc(Br)c(F)cc1F)c1cc(F)ccc1O ZINC000228197663 1038224215 /nfs/dbraw/zinc/22/42/15/1038224215.db2.gz IYMQHAXLIIULRE-UHFFFAOYSA-N -1 0 346.102 3.824 20 0 EHADRM CC(C)[C@H]1CCCN1C(=O)c1cc(F)cc(Br)c1[O-] ZINC000416144431 1038232685 /nfs/dbraw/zinc/23/26/85/1038232685.db2.gz NCQAPJSKYGSCMN-GFCCVEGCSA-N -1 0 330.197 3.554 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000538576307 1038399394 /nfs/dbraw/zinc/39/93/94/1038399394.db2.gz XZCQKYMMTQWNHY-OAHLLOKOSA-N -1 0 349.446 3.936 20 0 EHADRM O=C([O-])CC1(CNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CCCCC1 ZINC000538576899 1038400265 /nfs/dbraw/zinc/40/02/65/1038400265.db2.gz FEPHCNZNZPOHPR-JKSUJKDBSA-N -1 0 349.858 3.985 20 0 EHADRM FC(F)(F)Oc1ccc(CN=c2[n-]nc(CC3CCCC3)o2)cc1 ZINC000538593810 1038407071 /nfs/dbraw/zinc/40/70/71/1038407071.db2.gz DGDKIBPQYBUCGL-UHFFFAOYSA-N -1 0 341.333 3.735 20 0 EHADRM CC(C)(C)Cc1n[n-]c(=NCc2ccc(Br)c(F)c2)o1 ZINC000538593956 1038407418 /nfs/dbraw/zinc/40/74/18/1038407418.db2.gz QVWMGBKQMQHNTF-UHFFFAOYSA-N -1 0 342.212 3.594 20 0 EHADRM CC(C)c1noc(=NCc2c(OC(F)F)ccc3ccccc32)[n-]1 ZINC000538606656 1038410686 /nfs/dbraw/zinc/41/06/86/1038410686.db2.gz HQTHBSSNJBRNNO-UHFFFAOYSA-N -1 0 333.338 3.982 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@@H](c2ccccc2)C(C)C)cc1 ZINC000107944441 1038474006 /nfs/dbraw/zinc/47/40/06/1038474006.db2.gz IWQIJDCLXKIGSF-AUSIDOKSSA-N -1 0 329.465 3.616 20 0 EHADRM CC(C)(C)c1ccc([C@@H](O)CNC(=O)c2cc(O)ccc2Cl)cc1 ZINC000278824481 1038509167 /nfs/dbraw/zinc/50/91/67/1038509167.db2.gz JDWZXLSCOAZCTO-KRWDZBQOSA-N -1 0 347.842 3.807 20 0 EHADRM CCCC[C@@H](C)N(C)C(=O)c1nn(-c2ccccc2CC)cc1[O-] ZINC000461618794 1038539377 /nfs/dbraw/zinc/53/93/77/1038539377.db2.gz LDAGRFZXIRFQKX-CQSZACIVSA-N -1 0 329.444 3.791 20 0 EHADRM O=S(=O)([N-]c1ncccc1-c1ccccc1)c1cc(F)ccc1F ZINC000538844309 1038569938 /nfs/dbraw/zinc/56/99/38/1038569938.db2.gz LZTBHKNEPQLTEQ-UHFFFAOYSA-N -1 0 346.358 3.828 20 0 EHADRM CC[C@H]1CC[C@@H](C(=O)Nc2c(O)cc(Br)cc2Cl)O1 ZINC000552026180 1038605324 /nfs/dbraw/zinc/60/53/24/1038605324.db2.gz AAUZANBSLDWPLG-KWQFWETISA-N -1 0 348.624 3.704 20 0 EHADRM C[C@H](O)[C@H](N=c1nc(C2CCCCC2)[n-]s1)c1ccccc1F ZINC000651383658 1038667775 /nfs/dbraw/zinc/66/77/75/1038667775.db2.gz HQKVFPZYDYHKHW-NHYWBVRUSA-N -1 0 335.448 3.681 20 0 EHADRM CCCc1ccc(CCCC(=O)N=c2nc([C@H](C)OC)[n-]s2)cc1 ZINC000648383920 1038674143 /nfs/dbraw/zinc/67/41/43/1038674143.db2.gz PJFKZSXDKVCUHR-ZDUSSCGKSA-N -1 0 347.484 3.581 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cnc3n[nH]c(C)c3c2)cc1 ZINC000539231810 1038732620 /nfs/dbraw/zinc/73/26/20/1038732620.db2.gz PBNSABBNRLCVQP-NSHDSACASA-N -1 0 344.440 3.581 20 0 EHADRM CSCCCN(C)C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000512350011 1038778947 /nfs/dbraw/zinc/77/89/47/1038778947.db2.gz FJQSYVOYOTZJGV-UHFFFAOYSA-N -1 0 347.484 3.526 20 0 EHADRM O=C([O-])Cc1c2ccccc2[nH]c1C(=O)N1CCCC12CCCCC2 ZINC000910251419 1038788660 /nfs/dbraw/zinc/78/86/60/1038788660.db2.gz SBECYDOLVASRTJ-UHFFFAOYSA-N -1 0 340.423 3.734 20 0 EHADRM Cc1sccc1C(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000910311657 1038820082 /nfs/dbraw/zinc/82/00/82/1038820082.db2.gz CAWVEKWHFJZJBD-MRXNPFEDSA-N -1 0 337.828 3.526 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)NCc2cc(C(=O)[O-])co2)c1 ZINC000910311378 1038820802 /nfs/dbraw/zinc/82/08/02/1038820802.db2.gz XHKGQDOUAPGYTG-CYBMUJFWSA-N -1 0 345.395 3.577 20 0 EHADRM Cc1cc(C)c(CC(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)s1 ZINC000910361049 1038857641 /nfs/dbraw/zinc/85/76/41/1038857641.db2.gz QAWPYXJUEZZJJV-CYBMUJFWSA-N -1 0 329.421 3.513 20 0 EHADRM CN(Cc1ccc2cc[nH]c2c1)C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000910365953 1038862238 /nfs/dbraw/zinc/86/22/38/1038862238.db2.gz YVHBPPHUMQYHGJ-UHFFFAOYSA-N -1 0 340.423 3.552 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000325125396 1038869136 /nfs/dbraw/zinc/86/91/36/1038869136.db2.gz BTJLDGKDXGUQDU-INIZCTEOSA-N -1 0 344.798 3.692 20 0 EHADRM Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000432706451 1038873574 /nfs/dbraw/zinc/87/35/74/1038873574.db2.gz IYNAQOGOFXORCQ-UHFFFAOYSA-N -1 0 347.296 3.760 20 0 EHADRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000910398236 1038881154 /nfs/dbraw/zinc/88/11/54/1038881154.db2.gz LXWCJTYWYRWXOE-KBXCAEBGSA-N -1 0 346.814 3.599 20 0 EHADRM CC(C)[C@@H]([N-]S(=O)(=O)[C@H](C)C(F)(F)F)c1ccc(F)cc1F ZINC000184676066 1038888672 /nfs/dbraw/zinc/88/86/72/1038888672.db2.gz DUJCYVONYGLLDE-PRHODGIISA-N -1 0 345.333 3.532 20 0 EHADRM Cc1ccc([C@H]2CCN(C(=O)c3csc(C(=O)[O-])n3)C2(C)C)cc1 ZINC000910411454 1038900377 /nfs/dbraw/zinc/90/03/77/1038900377.db2.gz GSXHETGTVQVQQP-CYBMUJFWSA-N -1 0 344.436 3.558 20 0 EHADRM CC(C)(C)c1nc(CN=c2[n-]nc(Cc3ccsc3)o2)cs1 ZINC000554111689 1038916665 /nfs/dbraw/zinc/91/66/65/1038916665.db2.gz GSHVVBAVYXKEFI-UHFFFAOYSA-N -1 0 334.470 3.510 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cccc3[nH]cnc32)c1C ZINC000485334011 1038920441 /nfs/dbraw/zinc/92/04/41/1038920441.db2.gz VZPZEGHCIJXVSD-UHFFFAOYSA-N -1 0 329.425 3.597 20 0 EHADRM Fc1ccccc1CCSc1n[n-]c(=NCc2ccco2)s1 ZINC000432724181 1038926197 /nfs/dbraw/zinc/92/61/97/1038926197.db2.gz FHHLWBYZQWOIFX-UHFFFAOYSA-N -1 0 335.429 3.639 20 0 EHADRM O=C([O-])C1(C(F)(F)F)CCN(c2nc3cccc(F)c3s2)CC1 ZINC000910470366 1038929541 /nfs/dbraw/zinc/92/95/41/1038929541.db2.gz AXKGWUZLBLUDOH-UHFFFAOYSA-N -1 0 348.321 3.669 20 0 EHADRM C[C@]1(c2ccccc2)CCCN1C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000910505772 1038952013 /nfs/dbraw/zinc/95/20/13/1038952013.db2.gz LTHNUUVKQJMRNH-SINXNMPMSA-N -1 0 325.364 3.529 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N2CCC[C@H](c3ccccc3)C2)s1 ZINC000432734919 1038954516 /nfs/dbraw/zinc/95/45/16/1038954516.db2.gz ZCEHHVCFNZTSLT-HNNXBMFYSA-N -1 0 344.484 3.570 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)s1 ZINC000432738184 1038965990 /nfs/dbraw/zinc/96/59/90/1038965990.db2.gz HYNFFCOTWCQPPZ-MQMHXKEQSA-N -1 0 348.447 3.509 20 0 EHADRM O=C([O-])c1cc(Oc2ccc(NC(=O)C3(C4CC4)CC3)cc2)ccn1 ZINC000910622150 1038991656 /nfs/dbraw/zinc/99/16/56/1038991656.db2.gz YROMDGISLUZUIJ-UHFFFAOYSA-N -1 0 338.363 3.701 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1CCc2cc(F)ccc21 ZINC000910624865 1038993905 /nfs/dbraw/zinc/99/39/05/1038993905.db2.gz WBDGDDHMYNGFFL-OAHLLOKOSA-N -1 0 343.354 3.591 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)c2cc(C(=O)[O-])oc2C)c1C1CC1 ZINC000910649471 1039003584 /nfs/dbraw/zinc/00/35/84/1039003584.db2.gz YMCOVZFBGKITPP-VIFPVBQESA-N -1 0 331.372 3.583 20 0 EHADRM CC(C)CCn1ncc(NC(=O)c2ccoc2CC(=O)[O-])c1C(C)C ZINC000910656248 1039005659 /nfs/dbraw/zinc/00/56/59/1039005659.db2.gz JRUZVNCBSAAHOB-UHFFFAOYSA-N -1 0 347.415 3.525 20 0 EHADRM CC(C)Cn1ncc(NC(=O)CC2CCC(C(=O)[O-])CC2)c1C1CC1 ZINC000910666207 1039010019 /nfs/dbraw/zinc/01/00/19/1039010019.db2.gz QTSMXLCFGHFHDM-UHFFFAOYSA-N -1 0 347.459 3.636 20 0 EHADRM COc1c(F)cc(NS(=O)(=O)c2c(C)cc(F)cc2C)cc1F ZINC000485417841 1039051750 /nfs/dbraw/zinc/05/17/50/1039051750.db2.gz OBMNYNIYGGGJIW-UHFFFAOYSA-N -1 0 345.342 3.530 20 0 EHADRM Cc1cnc([C@@H](C)Sc2n[n-]c(=Nc3ccccc3F)s2)cn1 ZINC000488278432 1039054157 /nfs/dbraw/zinc/05/41/57/1039054157.db2.gz ATXAKUBOHBULDY-SNVBAGLBSA-N -1 0 347.444 3.794 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]2C2CCCC2)nc1C(=O)[O-] ZINC000910716653 1039055773 /nfs/dbraw/zinc/05/57/73/1039055773.db2.gz AIZSLYYUEHZDPJ-MCIONIFRSA-N -1 0 348.468 3.640 20 0 EHADRM O=C([O-])c1ccc(CN[C@H](CC(F)(F)F)c2ccc(F)cc2)nc1 ZINC000905725737 1039062129 /nfs/dbraw/zinc/06/21/29/1039062129.db2.gz XDTXEBQRAUHEOJ-CQSZACIVSA-N -1 0 342.292 3.702 20 0 EHADRM Cc1ccoc1C(=O)Nc1c(O)cc(Br)cc1Cl ZINC000552208524 1039084483 /nfs/dbraw/zinc/08/44/83/1039084483.db2.gz QLEZXCLVWMTQPJ-UHFFFAOYSA-N -1 0 330.565 3.962 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cnn([C@H](C)C3CC3)c2)cc1CC ZINC000488327517 1039087686 /nfs/dbraw/zinc/08/76/86/1039087686.db2.gz DMURSPJSJCURDO-CYBMUJFWSA-N -1 0 347.484 3.780 20 0 EHADRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1cccc(C2CC2)c1 ZINC000709831846 1039094573 /nfs/dbraw/zinc/09/45/73/1039094573.db2.gz QSZLTNLEADCVFK-UHFFFAOYSA-N -1 0 328.846 3.783 20 0 EHADRM CCc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC000237141558 1039097767 /nfs/dbraw/zinc/09/77/67/1039097767.db2.gz LPMMBKKISQWKJE-INIZCTEOSA-N -1 0 349.789 3.987 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1C(=O)NC1CC(CC(=O)[O-])C1 ZINC000910804223 1039100885 /nfs/dbraw/zinc/10/08/85/1039100885.db2.gz DVBTVUQHVJYVNX-UHFFFAOYSA-N -1 0 339.391 3.770 20 0 EHADRM O=C(c1nn(-c2cccc(F)c2)cc1[O-])N1CCC[C@H]2CCCC[C@H]21 ZINC000329390656 1039115025 /nfs/dbraw/zinc/11/50/25/1039115025.db2.gz SJNUWLIVSCXLOV-CZUORRHYSA-N -1 0 343.402 3.512 20 0 EHADRM FC(F)(F)c1n[n-]c(=NCCc2ccccc2C(F)(F)F)s1 ZINC000480084394 1039152697 /nfs/dbraw/zinc/15/26/97/1039152697.db2.gz AQCWWGWUOXWQDL-UHFFFAOYSA-N -1 0 341.280 3.652 20 0 EHADRM CCN(C(=O)C[C@@H]1CCO[C@H](C(C)C)C1)c1cccc(C(=O)[O-])c1 ZINC000910967997 1039172034 /nfs/dbraw/zinc/17/20/34/1039172034.db2.gz LVKXZUBTIUAMJI-PBHICJAKSA-N -1 0 333.428 3.579 20 0 EHADRM CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc(F)cc(Cl)c2[O-])C12CCC2 ZINC000164266039 1039211856 /nfs/dbraw/zinc/21/18/56/1039211856.db2.gz SATAQLXIFKLAER-ZIAGYGMSSA-N -1 0 341.810 3.604 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1occc1CSc1ccccc1)C(=O)[O-] ZINC000236597902 1039225056 /nfs/dbraw/zinc/22/50/56/1039225056.db2.gz BGRLXIPZKVTRBM-OAHLLOKOSA-N -1 0 347.436 3.801 20 0 EHADRM CC(C)c1ccc(-c2nc(C(=O)N(C)CCCC(=O)[O-])cs2)cc1 ZINC000236785720 1039254631 /nfs/dbraw/zinc/25/46/31/1039254631.db2.gz YXECXVFHOJKFDD-UHFFFAOYSA-N -1 0 346.452 3.870 20 0 EHADRM CC(C)c1ccc(-c2nc(C(=O)N[C@H](C)CCC(=O)[O-])cs2)cc1 ZINC000236786570 1039256435 /nfs/dbraw/zinc/25/64/35/1039256435.db2.gz JHCDRUVQXKCOMN-GFCCVEGCSA-N -1 0 346.452 3.917 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2cccc3ccc(O)cc32)CCCC1 ZINC000911153446 1039264030 /nfs/dbraw/zinc/26/40/30/1039264030.db2.gz DRRYKZSIECBKCB-UHFFFAOYSA-N -1 0 327.380 3.909 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)c1ccc(SCc2ccccc2)cc1 ZINC000236831066 1039267029 /nfs/dbraw/zinc/26/70/29/1039267029.db2.gz WSVITXLHXZOHJU-UHFFFAOYSA-N -1 0 343.448 3.916 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000911212880 1039285594 /nfs/dbraw/zinc/28/55/94/1039285594.db2.gz RRUQWGXFLWPNGU-UHFFFAOYSA-N -1 0 338.407 3.556 20 0 EHADRM Cc1cccc2c1CCN2C(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000237368286 1039294406 /nfs/dbraw/zinc/29/44/06/1039294406.db2.gz XCOPSYAQXJNALO-CYBMUJFWSA-N -1 0 341.432 3.763 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1ccnn1[C@@H](C)CC(C)C ZINC000488601976 1039304028 /nfs/dbraw/zinc/30/40/28/1039304028.db2.gz ZLTQILQUCTYLJM-AWEZNQCLSA-N -1 0 335.473 3.853 20 0 EHADRM C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000554407733 1039312447 /nfs/dbraw/zinc/31/24/47/1039312447.db2.gz UUBBNWFOXHZKLF-NEPJUHHUSA-N -1 0 348.472 3.899 20 0 EHADRM CC(C)Nc1cc(F)ccc1NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000911331474 1039323540 /nfs/dbraw/zinc/32/35/40/1039323540.db2.gz GRSPJUNIYOZJPE-UHFFFAOYSA-N -1 0 336.407 3.866 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC000237601081 1039364410 /nfs/dbraw/zinc/36/44/10/1039364410.db2.gz VLXNGZUHIIRKPQ-HNNXBMFYSA-N -1 0 335.762 3.733 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)CCCc1cc(Cl)sc1Cl ZINC000237501085 1039376202 /nfs/dbraw/zinc/37/62/02/1039376202.db2.gz FLVIXHZJPONVHR-QMMMGPOBSA-N -1 0 338.256 3.747 20 0 EHADRM CN(C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1)[C@H]1CC1(C)C ZINC000488765178 1039386024 /nfs/dbraw/zinc/38/60/24/1039386024.db2.gz HNSLYORRBKXTCZ-NSHDSACASA-N -1 0 336.848 3.543 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)N1CCc2sccc2C1)C1CCCCC1 ZINC000237612955 1039396015 /nfs/dbraw/zinc/39/60/15/1039396015.db2.gz FXOXJVBCABTFOI-GOSISDBHSA-N -1 0 335.469 3.694 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1ccc2c(c1)CCC=C2 ZINC001625896311 1039406578 /nfs/dbraw/zinc/40/65/78/1039406578.db2.gz HJNRLDHCJOLZNX-UHFFFAOYSA-N -1 0 346.390 3.697 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@H]1CSc2ccccc21 ZINC000237658121 1039407358 /nfs/dbraw/zinc/40/73/58/1039407358.db2.gz RAGOERNEMOVOIY-HOTGVXAUSA-N -1 0 341.432 3.517 20 0 EHADRM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)Cc1ccc(C)cc1F)C(F)(F)F ZINC000480341629 1039457078 /nfs/dbraw/zinc/45/70/78/1039457078.db2.gz KBQOSGDVFPVAQF-ZWNOBZJWSA-N -1 0 341.370 3.531 20 0 EHADRM Cc1cc(F)c(NC(=O)C[C@H]2CCO[C@H](C(C)C)C2)cc1C(=O)[O-] ZINC000911685712 1039459520 /nfs/dbraw/zinc/45/95/20/1039459520.db2.gz FLQYSFXZMAWJLR-LRDDRELGSA-N -1 0 337.391 3.612 20 0 EHADRM CC(C)Oc1c(NC(=O)CO[C@@H]2CCCC[C@H]2C)cccc1C(=O)[O-] ZINC000911738788 1039481371 /nfs/dbraw/zinc/48/13/71/1039481371.db2.gz HXBTZUOGPUODAW-CZUORRHYSA-N -1 0 349.427 3.706 20 0 EHADRM O=C([O-])C1CCC(CC(=O)NC[C@H](c2ccccc2)C2CC2)CC1 ZINC000911756147 1039486124 /nfs/dbraw/zinc/48/61/24/1039486124.db2.gz GCNWAFFEWPXWIM-IUPXNIOVSA-N -1 0 329.440 3.578 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000238101576 1039492171 /nfs/dbraw/zinc/49/21/71/1039492171.db2.gz RHPADWIVVGJZNJ-KGLIPLIRSA-N -1 0 339.382 3.610 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N[C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000911759187 1039506311 /nfs/dbraw/zinc/50/63/11/1039506311.db2.gz IOXPQPYWEGVNDD-DMRZNYOFSA-N -1 0 335.831 3.593 20 0 EHADRM FC(F)(F)c1nc(=Nc2ccc(Cc3ccncc3)cc2)s[n-]1 ZINC000552886502 1039591103 /nfs/dbraw/zinc/59/11/03/1039591103.db2.gz OGWIRLOZGWDCHY-UHFFFAOYSA-N -1 0 336.342 3.708 20 0 EHADRM CC(C)c1ncc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)cn1 ZINC000478681896 1039633725 /nfs/dbraw/zinc/63/37/25/1039633725.db2.gz MOHLKFGAGOXLKI-UHFFFAOYSA-N -1 0 339.486 3.760 20 0 EHADRM O=C(N=c1cccn[n-]1)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000478686730 1039639093 /nfs/dbraw/zinc/63/90/93/1039639093.db2.gz KRPWEBNQLGGETR-MRXNPFEDSA-N -1 0 330.819 3.605 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2ccccc2Cl)c(C)cc1C ZINC000478710224 1039647588 /nfs/dbraw/zinc/64/75/88/1039647588.db2.gz PFUXKKFPYAOITI-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM Cc1ccc(S(=O)(=O)NC(C)(C)c2cccc(C(F)(F)F)c2)o1 ZINC000552952791 1039652634 /nfs/dbraw/zinc/65/26/34/1039652634.db2.gz IPYWHQKSKPBDPD-UHFFFAOYSA-N -1 0 347.358 3.820 20 0 EHADRM Cc1cccc(CO[N-]C(=O)C2(c3ccccc3Cl)CCC2)n1 ZINC000898931095 1039732842 /nfs/dbraw/zinc/73/28/42/1039732842.db2.gz MLZFXNJXGGWPOJ-UHFFFAOYSA-N -1 0 330.815 3.713 20 0 EHADRM CCOc1cc(C(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)ccc1C ZINC000485955351 1039736533 /nfs/dbraw/zinc/73/65/33/1039736533.db2.gz UWTRXFNRYDLFNB-UHFFFAOYSA-N -1 0 327.380 3.961 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCCc1ccc(Cl)cc1 ZINC000478835617 1039744968 /nfs/dbraw/zinc/74/49/68/1039744968.db2.gz HHDAMURPGXTJAK-PVAVHDDUSA-N -1 0 349.858 3.907 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000324627872 1039745104 /nfs/dbraw/zinc/74/51/04/1039745104.db2.gz PVTUSNHXKPKORU-UHFFFAOYSA-N -1 0 331.274 3.970 20 0 EHADRM O=C([O-])c1nc(/C=C/c2cccc(F)c2)sc1Br ZINC000486025879 1039798006 /nfs/dbraw/zinc/79/80/06/1039798006.db2.gz KNQBPYKHLQMGCQ-SNAWJCMRSA-N -1 0 328.162 3.913 20 0 EHADRM CCCCCN(Cc1ccc(Cl)cc1)C(=O)c1cc(=O)n(C)[n-]1 ZINC000668957557 1039880673 /nfs/dbraw/zinc/88/06/73/1039880673.db2.gz MWWVSCNAKIUQJE-UHFFFAOYSA-N -1 0 335.835 3.612 20 0 EHADRM Cc1cccc2sc([N-]S(=O)(=O)c3c(C)cccc3F)nc21 ZINC000479069520 1039932697 /nfs/dbraw/zinc/93/26/97/1039932697.db2.gz YUMPECRQPCAHPK-UHFFFAOYSA-N -1 0 336.413 3.853 20 0 EHADRM O=Cc1ccc(-c2ccc([O-])c(C(=O)Nc3cccc(O)c3F)c2)o1 ZINC001137580674 1039948719 /nfs/dbraw/zinc/94/87/19/1039948719.db2.gz UJKJITIOINWYJZ-UHFFFAOYSA-N -1 0 341.294 3.562 20 0 EHADRM Fc1cccc([C@@H]2CC[C@@H](N=c3[n-]nc(-c4ccccn4)s3)C2)c1 ZINC000480783176 1040004314 /nfs/dbraw/zinc/00/43/14/1040004314.db2.gz BOFVTRPJWVQSMG-UKRRQHHQSA-N -1 0 340.427 3.909 20 0 EHADRM COc1ccc(F)cc1CNc1cccc(C(=O)[O-])c1OC(C)C ZINC000417595213 1040050633 /nfs/dbraw/zinc/05/06/33/1040050633.db2.gz XRCJIVDNHVNWKX-UHFFFAOYSA-N -1 0 333.359 3.932 20 0 EHADRM Cc1cc2c(cc1S(=O)(=O)[N-]c1cccc3ccsc31)OCO2 ZINC000479245309 1040060906 /nfs/dbraw/zinc/06/09/06/1040060906.db2.gz QUDAXJJFEADRGS-UHFFFAOYSA-N -1 0 347.417 3.739 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])[C@H]1CCOC2(CCCC2)C1 ZINC000907446126 1040062724 /nfs/dbraw/zinc/06/27/24/1040062724.db2.gz WZYMLXVCANEZTA-JTQLQIEISA-N -1 0 327.783 3.863 20 0 EHADRM CC(C)(C)c1nc(CN[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cs1 ZINC000417630792 1040087782 /nfs/dbraw/zinc/08/77/82/1040087782.db2.gz RLZWSPGZLNJLIG-LSDHHAIUSA-N -1 0 330.453 3.843 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1cc(C2CC2)oc1C1CC1)c1ccccc1 ZINC000907597668 1040105906 /nfs/dbraw/zinc/10/59/06/1040105906.db2.gz UJLOXYMIHKVSSU-MRXNPFEDSA-N -1 0 339.391 3.633 20 0 EHADRM Cc1ccc(C[C@@H](NCc2ncc(C(C)(C)C)s2)C(=O)[O-])cc1C ZINC000417645782 1040107023 /nfs/dbraw/zinc/10/70/23/1040107023.db2.gz BTJWZQRJNYXKGT-OAHLLOKOSA-N -1 0 346.496 3.843 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2cc(C3CC3)oc2C2CC2)c2ccccc21 ZINC000907641020 1040112757 /nfs/dbraw/zinc/11/27/57/1040112757.db2.gz ZMMVPXLZAPYTEW-HNNXBMFYSA-N -1 0 337.375 3.863 20 0 EHADRM COc1ccc(OC)c(CNc2ccc(S[C@@H](C)C(=O)[O-])cc2)c1 ZINC000417660716 1040124505 /nfs/dbraw/zinc/12/45/05/1040124505.db2.gz QTBLGUWDJFDYNA-LBPRGKRZSA-N -1 0 347.436 3.881 20 0 EHADRM COc1ccc(CCCCC(=O)Nc2cc(C(C)=O)ccc2[O-])cc1 ZINC000512559659 1040126000 /nfs/dbraw/zinc/12/60/00/1040126000.db2.gz MLUCQNJIJCMGDN-UHFFFAOYSA-N -1 0 341.407 3.955 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)c1cc(-n2cccc2)ccc1Cl ZINC000907710079 1040137638 /nfs/dbraw/zinc/13/76/38/1040137638.db2.gz IUWBXIODPWHKDE-CRAIPNDOSA-N -1 0 346.814 3.504 20 0 EHADRM Fc1cc(CN=c2nc(C(F)(F)F)[n-]s2)c(F)cc1Cl ZINC000553568113 1040192985 /nfs/dbraw/zinc/19/29/85/1040192985.db2.gz FDVWMOJHEXRBOQ-UHFFFAOYSA-N -1 0 329.681 3.523 20 0 EHADRM Cc1ccccc1-c1n[n-]c(=NCc2ccccc2OC(F)F)o1 ZINC000555145132 1040211617 /nfs/dbraw/zinc/21/16/17/1040211617.db2.gz UFLMOSGGBBZNCS-UHFFFAOYSA-N -1 0 331.322 3.680 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000417771848 1040228062 /nfs/dbraw/zinc/22/80/62/1040228062.db2.gz HDHFQDBBBUYDOZ-UHFFFAOYSA-N -1 0 338.713 3.687 20 0 EHADRM CC(C)(C)c1ccc(CCC(=O)N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@H]23)cc1 ZINC000907924928 1040234867 /nfs/dbraw/zinc/23/48/67/1040234867.db2.gz KLUJCHLGCPKBFJ-UOVPBQLFSA-N -1 0 343.467 3.532 20 0 EHADRM CC[C@H]1CCC[C@]1(C)C(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)ccc1C ZINC000907958723 1040247751 /nfs/dbraw/zinc/24/77/51/1040247751.db2.gz UYCFCSQMARTTJC-UGSOOPFHSA-N -1 0 328.416 3.641 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C3CC3)[nH]n2)cc1C(C)C ZINC000432953399 1040265627 /nfs/dbraw/zinc/26/56/27/1040265627.db2.gz IFRUZYDDGYUUFA-UHFFFAOYSA-N -1 0 349.456 3.528 20 0 EHADRM CC[C@H](CC(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1)c1ccccc1 ZINC000236935790 1040267475 /nfs/dbraw/zinc/26/74/75/1040267475.db2.gz GIXUORQBKYFWGU-CHWSQXEVSA-N -1 0 346.452 3.911 20 0 EHADRM CC(C)(C)Cc1ncc(C(=O)N2CCc3ccc(C(=O)[O-])cc32)s1 ZINC000908071421 1040285881 /nfs/dbraw/zinc/28/58/81/1040285881.db2.gz HFDFKTYVTHTLDC-UHFFFAOYSA-N -1 0 344.436 3.633 20 0 EHADRM CCSc1cccc(C(=O)N=c2ccc(-c3ccccc3)n[n-]2)c1 ZINC000489980035 1040286238 /nfs/dbraw/zinc/28/62/38/1040286238.db2.gz JJSSJNCIZDKTIV-UHFFFAOYSA-N -1 0 335.432 3.930 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N(C)c1cccc(CC(=O)[O-])c1 ZINC000908076101 1040287404 /nfs/dbraw/zinc/28/74/04/1040287404.db2.gz AYPKDGNMIPAZHZ-OAHLLOKOSA-N -1 0 325.408 3.779 20 0 EHADRM CCSc1cc(CN=c2[n-]nc(-c3ccccc3)s2)ccn1 ZINC000489984912 1040288099 /nfs/dbraw/zinc/28/80/99/1040288099.db2.gz RDKAXVQRHLXQBV-UHFFFAOYSA-N -1 0 328.466 3.746 20 0 EHADRM CN(C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)c1cccc(CC(=O)[O-])c1 ZINC000908076955 1040288324 /nfs/dbraw/zinc/28/83/24/1040288324.db2.gz ISGGDOKUERFVAP-DLBZAZTESA-N -1 0 343.810 3.734 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N(C)c2cccc(CC(=O)[O-])c2)cc1 ZINC000908079286 1040290453 /nfs/dbraw/zinc/29/04/53/1040290453.db2.gz WXRJMZMFUJSLRX-AWEZNQCLSA-N -1 0 325.408 3.643 20 0 EHADRM COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(C3CCC3)c2)c1 ZINC000555206174 1040291467 /nfs/dbraw/zinc/29/14/67/1040291467.db2.gz JUSIGDLCROLFOB-UHFFFAOYSA-N -1 0 347.436 3.772 20 0 EHADRM CSCc1ccc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000899310895 1040299874 /nfs/dbraw/zinc/29/98/74/1040299874.db2.gz IMGKICRUMDVJMD-HNNXBMFYSA-N -1 0 336.457 3.801 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(COC(C)C)cc1 ZINC000479519502 1040340024 /nfs/dbraw/zinc/34/00/24/1040340024.db2.gz VUJSZVCLHRPTJS-UHFFFAOYSA-N -1 0 337.416 3.860 20 0 EHADRM CC(C)Oc1cncc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)c1 ZINC000163563811 1040360173 /nfs/dbraw/zinc/36/01/73/1040360173.db2.gz HZCLYKCUSQAFOS-UHFFFAOYSA-N -1 0 329.381 3.551 20 0 EHADRM COc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000479554385 1040370646 /nfs/dbraw/zinc/37/06/46/1040370646.db2.gz BSCRTGQAHAMNOX-UHFFFAOYSA-N -1 0 343.445 3.994 20 0 EHADRM CC1(C(=O)NCCCCC2(C(=O)[O-])CCC2)CCC(F)(F)CC1 ZINC000908339066 1040399395 /nfs/dbraw/zinc/39/93/95/1040399395.db2.gz WUVDJWKFPCWESU-UHFFFAOYSA-N -1 0 331.403 3.743 20 0 EHADRM Cc1cc(C)cc(C2CCN(C(=O)c3cc(C(=O)[O-])co3)CC2)c1 ZINC000908356737 1040428400 /nfs/dbraw/zinc/42/84/00/1040428400.db2.gz ZPEVQWJLKOZKEO-UHFFFAOYSA-N -1 0 327.380 3.614 20 0 EHADRM O=C(N=c1cc(C(F)(F)F)[n-][nH]1)c1sccc1-c1ccccc1 ZINC000479629316 1040443034 /nfs/dbraw/zinc/44/30/34/1040443034.db2.gz OZQYRMHYNGKUHW-UHFFFAOYSA-N -1 0 337.326 3.831 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)Nc1cccc(C2CCOCC2)c1)C(=O)[O-] ZINC000908626858 1040537633 /nfs/dbraw/zinc/53/76/33/1040537633.db2.gz DAHVGXUOZAYIPA-INIZCTEOSA-N -1 0 348.443 3.592 20 0 EHADRM Cc1cccc(-c2cccc(C(=O)N3CCC4(C[C@H]4C(=O)[O-])CC3)c2)c1 ZINC000908661786 1040563459 /nfs/dbraw/zinc/56/34/59/1040563459.db2.gz VOQAJVYEQSYBPK-IBGZPJMESA-N -1 0 349.430 3.989 20 0 EHADRM CCC[C@H]1CCCN(C(=O)N=c2[n-]nc(/C=C\c3ccco3)s2)C1 ZINC000486947269 1040576720 /nfs/dbraw/zinc/57/67/20/1040576720.db2.gz VZZHZZYKVQGDFZ-YXVBKTCISA-N -1 0 346.456 3.767 20 0 EHADRM O=C([O-])CC1(CNC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)CCCCC1 ZINC000553936528 1040591121 /nfs/dbraw/zinc/59/11/21/1040591121.db2.gz WJYSSPIUGKTWMI-CABCVRRESA-N -1 0 349.858 3.985 20 0 EHADRM C[C@@H]1CCC[C@@H](OCC(=O)Nc2cccc(O)c2Br)C1 ZINC000908713397 1040607109 /nfs/dbraw/zinc/60/71/09/1040607109.db2.gz RUFRAKYCHLSODM-GHMZBOCLSA-N -1 0 342.233 3.689 20 0 EHADRM CC(C)(CNC(=O)c1ccccc1CCC(=O)[O-])c1ccc(F)cc1 ZINC000908783754 1040645796 /nfs/dbraw/zinc/64/57/96/1040645796.db2.gz XTDOQXBZCFVGQJ-UHFFFAOYSA-N -1 0 343.398 3.551 20 0 EHADRM CC(C)[C@@H](NC(=O)c1ccoc1CC(=O)[O-])c1ccccc1Cl ZINC000908805779 1040659386 /nfs/dbraw/zinc/65/93/86/1040659386.db2.gz DLBLLKGOGLVFKU-MRXNPFEDSA-N -1 0 335.787 3.687 20 0 EHADRM Cc1c(NC(=O)CCC[C@H](O)c2ccccc2)cccc1C(=O)[O-] ZINC000908841626 1040677657 /nfs/dbraw/zinc/67/76/57/1040677657.db2.gz HLJZKKONEOVLRK-KRWDZBQOSA-N -1 0 327.380 3.536 20 0 EHADRM COCCC[C@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000909006171 1040738497 /nfs/dbraw/zinc/73/84/97/1040738497.db2.gz JVDZXVQBAUIAER-WMLDXEAASA-N -1 0 349.471 3.679 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)nn1[C@@H](C)C1CC1 ZINC000909097411 1040799831 /nfs/dbraw/zinc/79/98/31/1040799831.db2.gz RZJYSXANXSHTOB-PRFOUVDFSA-N -1 0 339.395 3.513 20 0 EHADRM CCCOc1cccc(F)c1[N-]c1nnc(Br)s1 ZINC001211783598 1040860868 /nfs/dbraw/zinc/86/08/68/1040860868.db2.gz VLOWDPNSDWKDDK-UHFFFAOYSA-N -1 0 332.198 3.972 20 0 EHADRM CC1(C)COc2ccc(-c3nc(C(F)(F)F)c(C(=O)[O-])o3)cc21 ZINC000899640725 1040907494 /nfs/dbraw/zinc/90/74/94/1040907494.db2.gz NUNKKVHAMAIQEP-UHFFFAOYSA-N -1 0 327.258 3.729 20 0 EHADRM CCCCn1cc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c(C)n1 ZINC000909287878 1040908723 /nfs/dbraw/zinc/90/87/23/1040908723.db2.gz KJLHKFJFLNNYLG-UHFFFAOYSA-N -1 0 343.427 3.606 20 0 EHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 ZINC000909686240 1040950785 /nfs/dbraw/zinc/95/07/85/1040950785.db2.gz CTGBSPRLFXARFP-BDJLRTHQSA-N -1 0 345.361 3.972 20 0 EHADRM Cc1c(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)cnn1CCC(C)C ZINC000909830508 1041016039 /nfs/dbraw/zinc/01/60/39/1041016039.db2.gz LGHFWTNUCDNVRO-CYBMUJFWSA-N -1 0 343.427 3.678 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@H](C)OCc2ccc(F)cc2)c1 ZINC000909833377 1041032165 /nfs/dbraw/zinc/03/21/65/1041032165.db2.gz IFZYMQMLWLRAOK-OLZOCXBDSA-N -1 0 345.370 3.558 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCC(=O)c2cccs2)ccc1Cl ZINC000170583563 1041064056 /nfs/dbraw/zinc/06/40/56/1041064056.db2.gz OEKDIRMUAGQHCO-UHFFFAOYSA-N -1 0 337.784 3.701 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(Br)cc1F ZINC000899759253 1041064518 /nfs/dbraw/zinc/06/45/18/1041064518.db2.gz NUTFTFJQEGOKOY-VIFPVBQESA-N -1 0 346.196 3.664 20 0 EHADRM COc1cc(Cl)c(C)cc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-] ZINC000899758868 1041064926 /nfs/dbraw/zinc/06/49/26/1041064926.db2.gz KVXCHGPNFJHYNU-DLXUEXIISA-N -1 0 349.814 3.509 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])C[C@@H]1C(=O)Nc1ccc(Oc2ccccn2)cc1 ZINC000899769428 1041084245 /nfs/dbraw/zinc/08/42/45/1041084245.db2.gz CKQXPPUQDAAIFH-DNVCBOLYSA-N -1 0 340.379 3.559 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])C[C@H]1C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000899769637 1041084932 /nfs/dbraw/zinc/08/49/32/1041084932.db2.gz FMOPAGQLILHKRM-HNAYVOBHSA-N -1 0 340.379 3.559 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)N[C@H](C)c1ccc(OC(F)F)cc1 ZINC000899763120 1041090044 /nfs/dbraw/zinc/09/00/44/1041090044.db2.gz ZXNFVTGAQOEEPX-DGCLKSJQSA-N -1 0 343.370 3.602 20 0 EHADRM COc1cc(C)ccc1NC(=O)C[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000899766546 1041095445 /nfs/dbraw/zinc/09/54/45/1041095445.db2.gz ULJXSKULZZTHSE-OAHLLOKOSA-N -1 0 327.380 3.509 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)N[C@@H](C)c1ccc2ncsc2c1 ZINC000899779495 1041101666 /nfs/dbraw/zinc/10/16/66/1041101666.db2.gz AFEKDUKGMVZHBI-AAEUAGOBSA-N -1 0 334.441 3.611 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)N[C@@H](C)c1nc2ccccc2s1 ZINC000899771556 1041107270 /nfs/dbraw/zinc/10/72/70/1041107270.db2.gz SENLYVKVFPXKMX-NWDGAFQWSA-N -1 0 334.441 3.611 20 0 EHADRM COc1cc(Cl)c(NC(=O)[C@@H](CC(=O)[O-])CC(C)C)cc1C ZINC000899785789 1041122460 /nfs/dbraw/zinc/12/24/60/1041122460.db2.gz LAZVWTFMQGZEFF-LLVKDONJSA-N -1 0 327.808 3.733 20 0 EHADRM CCOc1ccc(NC(=O)C[C@@H](C(=O)[O-])c2ccc(C)cc2)c(F)c1 ZINC000899788374 1041126774 /nfs/dbraw/zinc/12/67/74/1041126774.db2.gz IQSWDXMOXNJFQA-OAHLLOKOSA-N -1 0 345.370 3.730 20 0 EHADRM O=C([O-])C[C@H](c1ccccc1)C1CCN(C(=O)C2=CCCC2)CC1 ZINC000910032426 1041145652 /nfs/dbraw/zinc/14/56/52/1041145652.db2.gz OLGOAQVXYILOAS-GOSISDBHSA-N -1 0 327.424 3.594 20 0 EHADRM O=C([O-])C[C@H](c1ccccc1)C1CCN(C(=O)C2(C3CC3)CC2)CC1 ZINC000910039193 1041158133 /nfs/dbraw/zinc/15/81/33/1041158133.db2.gz XESBXEHJBJMKKV-GOSISDBHSA-N -1 0 341.451 3.674 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C[C@@H]2C=CCCC2)c(OC(F)F)c1 ZINC000910043263 1041163077 /nfs/dbraw/zinc/16/30/77/1041163077.db2.gz REMWWUGDFCUOBM-SNVBAGLBSA-N -1 0 325.311 3.671 20 0 EHADRM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])cs1 ZINC000910100651 1041190425 /nfs/dbraw/zinc/19/04/25/1041190425.db2.gz DRLZXLAHDLIDMH-DMDPSCGWSA-N -1 0 336.457 3.577 20 0 EHADRM C[C@@H](c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1)C(F)(F)F ZINC000910138997 1041199095 /nfs/dbraw/zinc/19/90/95/1041199095.db2.gz OOKZIYPELKGBRH-LEWSCRJBSA-N -1 0 343.345 3.726 20 0 EHADRM Cc1nc(COC(=O)c2ccc([O-])c(Cl)c2)nc2ccccc12 ZINC000899844974 1041206088 /nfs/dbraw/zinc/20/60/88/1041206088.db2.gz YAKHPBCQVYBTHV-UHFFFAOYSA-N -1 0 328.755 3.654 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)[C@@H](CC(=O)[O-])CC(C)C)C(C)(C)C ZINC000899853525 1041214513 /nfs/dbraw/zinc/21/45/13/1041214513.db2.gz WYZYKDJAPLNOQP-RHSMWYFYSA-N -1 0 334.460 3.730 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)N(CC(=O)[O-])C3CCC3)ccc21 ZINC000555852324 1041226055 /nfs/dbraw/zinc/22/60/55/1041226055.db2.gz DDUXNHNPLIVMNU-UHFFFAOYSA-N -1 0 343.427 3.768 20 0 EHADRM C[C@@H]1CC=CC[C@H]1NC(=O)[C@H](CC(=O)[O-])c1c(F)cccc1Cl ZINC000899856153 1041237457 /nfs/dbraw/zinc/23/74/57/1041237457.db2.gz MKPMCSCGIMDGKF-JTNHKYCSSA-N -1 0 339.794 3.508 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)Nc1ccc(-c2cccc(F)c2)c(F)c1 ZINC000555851683 1041242598 /nfs/dbraw/zinc/24/25/98/1041242598.db2.gz KBYKQORREDPXBH-UHFFFAOYSA-N -1 0 348.349 3.960 20 0 EHADRM O=C(NCCC12CC3CC(CC(C3)C1)C2)c1s[n-]c(=O)c1Cl ZINC000571267121 1041252291 /nfs/dbraw/zinc/25/22/91/1041252291.db2.gz YETGVCCWUZPKLB-UHFFFAOYSA-N -1 0 340.876 3.838 20 0 EHADRM Cc1cc(CSc2n[n-]c(=Nc3cccc(C)c3C)s2)ncn1 ZINC000571332388 1041270859 /nfs/dbraw/zinc/27/08/59/1041270859.db2.gz UEUBMVLVJDIJJW-UHFFFAOYSA-N -1 0 343.481 3.711 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)N(C)C1(C(=O)[O-])CCCC1 ZINC000571382840 1041282435 /nfs/dbraw/zinc/28/24/35/1041282435.db2.gz CPGDDELWAPEOBV-CYBMUJFWSA-N -1 0 344.411 3.841 20 0 EHADRM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000511697172 1041459018 /nfs/dbraw/zinc/45/90/18/1041459018.db2.gz IVRUGOCZISFXEH-NSHDSACASA-N -1 0 341.379 3.943 20 0 EHADRM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000511694427 1041466701 /nfs/dbraw/zinc/46/67/01/1041466701.db2.gz BNTSJIQJEHINDK-NSHDSACASA-N -1 0 341.379 3.943 20 0 EHADRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000511740184 1041495287 /nfs/dbraw/zinc/49/52/87/1041495287.db2.gz UTOZCHBWBUTYPQ-UHFFFAOYSA-N -1 0 337.828 3.638 20 0 EHADRM CC(C)c1ccc(CCC(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])cc1 ZINC000432093771 1041583967 /nfs/dbraw/zinc/58/39/67/1041583967.db2.gz FGMLMDSHOKYFIR-FXAWDEMLSA-N -1 0 331.456 3.892 20 0 EHADRM Cc1cccc([C@H](NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C(F)(F)F)c1 ZINC000432101157 1041595392 /nfs/dbraw/zinc/59/53/92/1041595392.db2.gz YKWTYVBAFKMDPG-RDBSUJKOSA-N -1 0 343.345 3.606 20 0 EHADRM COc1ccc(CCCCC(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])cc1 ZINC000432117933 1041614035 /nfs/dbraw/zinc/61/40/35/1041614035.db2.gz UKSHQCBOPWZUTL-FXAWDEMLSA-N -1 0 347.455 3.558 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c(C)c1O ZINC000047383617 1041621114 /nfs/dbraw/zinc/62/11/14/1041621114.db2.gz GOVVTNPIHCCSTE-UHFFFAOYSA-N -1 0 345.342 3.829 20 0 EHADRM Cc1nc2ccc(NC(=O)CCc3ccccc3C(=O)[O-])cc2s1 ZINC000432126918 1041624512 /nfs/dbraw/zinc/62/45/12/1041624512.db2.gz BZOFUOVGNZLALC-UHFFFAOYSA-N -1 0 340.404 3.874 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000432130797 1041628526 /nfs/dbraw/zinc/62/85/26/1041628526.db2.gz SYAYWPPHWZDQBE-WRWLIDTKSA-N -1 0 331.456 3.795 20 0 EHADRM CC(C)OCc1ccccc1C/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000026431749 1041718522 /nfs/dbraw/zinc/71/85/22/1041718522.db2.gz HVNYZVLQADMCHS-YBFXNURJSA-N -1 0 328.368 3.845 20 0 EHADRM Cc1ccc(-c2ccc(C)c(NC(=O)N[C@@H]3CC[C@H](C(=O)[O-])C3)c2)o1 ZINC000647701403 1041803211 /nfs/dbraw/zinc/80/32/11/1041803211.db2.gz OKQLDPQDCBIJEV-LSDHHAIUSA-N -1 0 342.395 3.938 20 0 EHADRM C[C@@H](Oc1ccc([C@H](C)NCc2n[nH]c(=O)[n-]2)cc1)c1ccccc1 ZINC000661457494 1042132373 /nfs/dbraw/zinc/13/23/73/1042132373.db2.gz MIJVDKMOFPAGMW-UONOGXRCSA-N -1 0 338.411 3.501 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2N(C)C)s1 ZINC000045774109 1042135847 /nfs/dbraw/zinc/13/58/47/1042135847.db2.gz UGAQYGAFFOGCFN-UHFFFAOYSA-N -1 0 330.862 3.577 20 0 EHADRM Cc1ccc(-c2[nH]nc(NC(=O)c3cc(F)c([O-])c(F)c3)c2C)o1 ZINC000184155603 1042172524 /nfs/dbraw/zinc/17/25/24/1042172524.db2.gz SGIDXKUFZABKOV-UHFFFAOYSA-N -1 0 333.294 3.523 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1c1ccnc2cc(Br)ccc21 ZINC000662894156 1042204217 /nfs/dbraw/zinc/20/42/17/1042204217.db2.gz UGFHHRXRAFNNNG-MNOVXSKESA-N -1 0 349.228 3.687 20 0 EHADRM Cc1cc(F)cc(C)c1C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000663025288 1042355939 /nfs/dbraw/zinc/35/59/39/1042355939.db2.gz IAUFTUIHOSUOHZ-KRWDZBQOSA-N -1 0 343.398 3.648 20 0 EHADRM Cc1csc(Nc2ccc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc2)n1 ZINC000663068667 1042419306 /nfs/dbraw/zinc/41/93/06/1042419306.db2.gz DRPYIMHTNWTGHW-ZDUSSCGKSA-N -1 0 347.440 3.881 20 0 EHADRM O=C([O-])c1cccnc1CN1CCC[C@H]1c1nc2ccccc2s1 ZINC000652373319 1042426996 /nfs/dbraw/zinc/42/69/96/1042426996.db2.gz OJFDWYIITVWXPR-HNNXBMFYSA-N -1 0 339.420 3.727 20 0 EHADRM C[C@H](Cc1ccccc1F)NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184306337 1042440086 /nfs/dbraw/zinc/44/00/86/1042440086.db2.gz RYWHJEYHBQWRIK-SECBINFHSA-N -1 0 325.742 3.685 20 0 EHADRM O=C(NCc1cccc(OC(F)F)c1)c1cc(F)c([O-])c(Cl)c1 ZINC000184342452 1042467816 /nfs/dbraw/zinc/46/78/16/1042467816.db2.gz TZRJSQRQOJZJCB-UHFFFAOYSA-N -1 0 345.704 3.716 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1ccc(N2CCCCC2)cc1)CC(=O)[O-] ZINC000663138892 1042486278 /nfs/dbraw/zinc/48/62/78/1042486278.db2.gz RRJYRDVRJHRXAH-INIZCTEOSA-N -1 0 346.471 3.544 20 0 EHADRM O=[N+]([O-])c1cc(C=Nn2c(=S)[n-]nc2-c2ccco2)ccc1Cl ZINC000254404310 1042593326 /nfs/dbraw/zinc/59/33/26/1042593326.db2.gz QBXJAPSPEOGOKS-UHFFFAOYSA-N -1 0 349.759 3.644 20 0 EHADRM CCN1C(=O)CCc2cc(NC(=O)c3cc(Cl)ccc3[O-])ccc21 ZINC000185801295 1042641624 /nfs/dbraw/zinc/64/16/24/1042641624.db2.gz BPLISHLVGJQHFR-UHFFFAOYSA-N -1 0 344.798 3.597 20 0 EHADRM C[C@]1(Cc2ccccc2)CCCN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000186223946 1042650240 /nfs/dbraw/zinc/65/02/40/1042650240.db2.gz RLGHIYUZYWCHGQ-LJQANCHMSA-N -1 0 331.362 3.908 20 0 EHADRM O=C(Nc1ccc(Cc2ccncc2)cc1)c1cc(F)c([O-])c(F)c1 ZINC000186408574 1042661056 /nfs/dbraw/zinc/66/10/56/1042661056.db2.gz MPZRWUFBYFWOBB-UHFFFAOYSA-N -1 0 340.329 3.909 20 0 EHADRM Cc1ccc2cc(Cl)cc(C(=O)NC3CCC(C(=O)[O-])CC3)c2n1 ZINC000647728949 1042736721 /nfs/dbraw/zinc/73/67/21/1042736721.db2.gz OIDQTSXYJGUWGU-UHFFFAOYSA-N -1 0 346.814 3.570 20 0 EHADRM Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)ccc1Cl ZINC000659194752 1042740400 /nfs/dbraw/zinc/74/04/00/1042740400.db2.gz UTSULXQXENICRE-OFQRWUPVSA-N -1 0 335.831 3.754 20 0 EHADRM Cc1cc2ccccc2c(NC(=O)NC[C@H](C(=O)[O-])C2CCC2)c1 ZINC000663356724 1042750303 /nfs/dbraw/zinc/75/03/03/1042750303.db2.gz UGUKWPVHPWUNEL-INIZCTEOSA-N -1 0 326.396 3.771 20 0 EHADRM O=C([N-]S(=O)(=O)c1cccc(Cl)c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000066503953 1042771270 /nfs/dbraw/zinc/77/12/70/1042771270.db2.gz JEQUBCVSQQWPRI-LSDHHAIUSA-N -1 0 335.812 3.789 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)CCCc2cccs2)c2ccccc21 ZINC000653333208 1042984325 /nfs/dbraw/zinc/98/43/25/1042984325.db2.gz MIFWHACPWUPQJT-HZPDHXFCSA-N -1 0 329.421 3.500 20 0 EHADRM O=S(=O)([N-]c1cc(F)cc(F)c1F)c1cc2ccccc2o1 ZINC000644851276 1042988793 /nfs/dbraw/zinc/98/87/93/1042988793.db2.gz OIFDXCDFVIRVCI-UHFFFAOYSA-N -1 0 327.283 3.651 20 0 EHADRM c1c2ccccc2sc1CCN=c1[n-]nc(-c2ccccn2)s1 ZINC000549622659 1043001328 /nfs/dbraw/zinc/00/13/28/1043001328.db2.gz XLJLOEOBRWBAMK-UHFFFAOYSA-N -1 0 338.461 3.891 20 0 EHADRM CC(C)Oc1ccc(F)c(-c2ccc(-c3nn[nH]n3)c(F)c2)c1F ZINC001204669065 1043078877 /nfs/dbraw/zinc/07/88/77/1043078877.db2.gz BEEQSWPDXJSPJC-UHFFFAOYSA-N -1 0 334.301 3.738 20 0 EHADRM COc1c(C)ccc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)c1C ZINC000027057303 1043300144 /nfs/dbraw/zinc/30/01/44/1043300144.db2.gz RWRNNYDUPAPGLL-HXUWFJFHSA-N -1 0 341.407 3.683 20 0 EHADRM Cc1c(C(=O)[O-])sc2ncnc(N3CCCc4ccccc4C3)c12 ZINC000324653760 1043325620 /nfs/dbraw/zinc/32/56/20/1043325620.db2.gz JWQGJHMCDVLZAD-UHFFFAOYSA-N -1 0 339.420 3.651 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1csc(C(C)C)n1 ZINC000236829279 1043563974 /nfs/dbraw/zinc/56/39/74/1043563974.db2.gz ZBMLKDPOXPUWBB-ZDUSSCGKSA-N -1 0 332.425 3.521 20 0 EHADRM COc1ccc2c(c1)N(C(=O)c1ccc3[n-]c(=S)oc3c1)CCC2 ZINC001167876820 1044217812 /nfs/dbraw/zinc/21/78/12/1044217812.db2.gz MHDYOKQZABUVNR-UHFFFAOYSA-N -1 0 340.404 3.718 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)s1 ZINC000024429986 1044491051 /nfs/dbraw/zinc/49/10/51/1044491051.db2.gz YZYOVZNRLDLQNA-UHFFFAOYSA-N -1 0 337.344 3.756 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000324651719 1044513204 /nfs/dbraw/zinc/51/32/04/1044513204.db2.gz BTJLDGKDXGUQDU-MRXNPFEDSA-N -1 0 344.798 3.692 20 0 EHADRM CC[C@@H](SC)C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000153521421 1125513222 /nfs/dbraw/zinc/51/32/22/1125513222.db2.gz SZDOFXARSUJUJP-SECBINFHSA-N -1 0 338.654 3.888 20 0 EHADRM COc1cc(C(=O)N[C@H](Cc2ccccc2)C2CC2)cc(Cl)c1O ZINC000153857582 1125668494 /nfs/dbraw/zinc/66/84/94/1125668494.db2.gz ZFKIFVPPHHSGTB-MRXNPFEDSA-N -1 0 345.826 3.805 20 0 EHADRM C[C@H](NC(=O)c1ccc(F)cc1[O-])c1nc(-c2ccncc2)cs1 ZINC000154388983 1125716871 /nfs/dbraw/zinc/71/68/71/1125716871.db2.gz GTBXFWIIFUOKDN-JTQLQIEISA-N -1 0 343.383 3.541 20 0 EHADRM Cc1nc(CN[C@@H](Cc2ccccc2)C(=O)[O-])sc1C(C)(C)C ZINC001600702198 1126220026 /nfs/dbraw/zinc/22/00/26/1126220026.db2.gz KZZKUGGXJQBSJT-AWEZNQCLSA-N -1 0 332.469 3.535 20 0 EHADRM O=C([O-])[C@H](Cc1cc2ccccc2o1)NCc1csc(C2CC2)n1 ZINC001601657000 1126222769 /nfs/dbraw/zinc/22/27/69/1126222769.db2.gz ICUYUDRPRVJHHA-HNNXBMFYSA-N -1 0 342.420 3.552 20 0 EHADRM O=C([O-])[C@@H](Cc1cc2ccccc2o1)NCc1csc(C2CC2)n1 ZINC001601657002 1126222801 /nfs/dbraw/zinc/22/28/01/1126222801.db2.gz ICUYUDRPRVJHHA-OAHLLOKOSA-N -1 0 342.420 3.552 20 0 EHADRM CCc1cccc(C(=O)NC(C)(C)c2nc3ccccc3n2C)c1O ZINC000622518724 1126714198 /nfs/dbraw/zinc/71/41/98/1126714198.db2.gz DXJXVFUHSRKIDK-UHFFFAOYSA-N -1 0 337.423 3.506 20 0 EHADRM O=C(NC1CCC(C(F)F)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000622696716 1126743903 /nfs/dbraw/zinc/74/39/03/1126743903.db2.gz XGWCOGDBQAHEFI-UHFFFAOYSA-N -1 0 337.288 3.965 20 0 EHADRM CC(C)[C@H]1c2ccccc2CCN1C(=O)c1n[n-]c2ccccc2c1=O ZINC000763846283 1126884176 /nfs/dbraw/zinc/88/41/76/1126884176.db2.gz GZMORAHNHUKVTN-IBGZPJMESA-N -1 0 347.418 3.731 20 0 EHADRM Cc1cccc2sc([N-]S(=O)(=O)Cc3ccc(F)cc3)nc21 ZINC000192612944 1126924766 /nfs/dbraw/zinc/92/47/66/1126924766.db2.gz PHSTWXQJXVHSON-UHFFFAOYSA-N -1 0 336.413 3.686 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1c[nH]nc1-c1c(F)cccc1F ZINC000177903316 1127002234 /nfs/dbraw/zinc/00/22/34/1127002234.db2.gz VOIIJYPLVANXEZ-UHFFFAOYSA-N -1 0 349.724 3.966 20 0 EHADRM COCc1cccc([N-]S(=O)(=O)c2cccc(C)c2Cl)c1 ZINC000179968786 1127105840 /nfs/dbraw/zinc/10/58/40/1127105840.db2.gz AKZDZKCJPDZRRA-UHFFFAOYSA-N -1 0 325.817 3.596 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CC3(CCCC3)c3c2cccc3F)o1 ZINC000180127504 1127124401 /nfs/dbraw/zinc/12/44/01/1127124401.db2.gz JBYSHRVMCMLBSG-UHFFFAOYSA-N -1 0 329.327 3.589 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)c(F)c1 ZINC000356748121 1127299662 /nfs/dbraw/zinc/29/96/62/1127299662.db2.gz UOTSTCIGYVDBDI-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM CC[C@H]([N-]S(=O)(=O)[C@H](C)C(F)(F)F)C(C)(C)c1ccccc1 ZINC000184569713 1127408953 /nfs/dbraw/zinc/40/89/53/1127408953.db2.gz OOBLEPNXSMMUFP-YPMHNXCESA-N -1 0 337.407 3.613 20 0 EHADRM CCOc1cc(C)ccc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000185347843 1127424875 /nfs/dbraw/zinc/42/48/75/1127424875.db2.gz DFJDAGSJJZLIGK-UHFFFAOYSA-N -1 0 325.286 3.769 20 0 EHADRM COc1nc2ccccc2cc1/C=C\c1ncc(/C=C/C(=O)[O-])s1 ZINC000764107143 1127445749 /nfs/dbraw/zinc/44/57/49/1127445749.db2.gz IMMLKEMZONXGJO-MKKAVFGOSA-N -1 0 338.388 3.968 20 0 EHADRM CC[C@@H]1CN(c2ccccc2)CCN1C(=O)c1cccc(Cl)c1[O-] ZINC000764422787 1127491653 /nfs/dbraw/zinc/49/16/53/1127491653.db2.gz YVJBOHVADNFYIQ-CQSZACIVSA-N -1 0 344.842 3.787 20 0 EHADRM Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cccc2c1CCCC2 ZINC000764550972 1127505858 /nfs/dbraw/zinc/50/58/58/1127505858.db2.gz OTEBXJUXQQBENS-UHFFFAOYSA-N -1 0 336.844 3.723 20 0 EHADRM CC[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C)s1)C1CCC(C)CC1 ZINC000764754240 1127528692 /nfs/dbraw/zinc/52/86/92/1127528692.db2.gz UOTKXVHBASHSLB-UXUKBGGZSA-N -1 0 343.514 3.714 20 0 EHADRM O=S(=O)([N-]c1ccccc1OCC(F)(F)F)c1cccc(F)c1 ZINC000014205638 1127645607 /nfs/dbraw/zinc/64/56/07/1127645607.db2.gz DAKVEGBCPPYOMP-UHFFFAOYSA-N -1 0 349.305 3.568 20 0 EHADRM COc1cc(/C=C(\CC(=O)[O-])c2nc3ccccc3o2)cc(OC)c1 ZINC000026764184 1127774044 /nfs/dbraw/zinc/77/40/44/1127774044.db2.gz PTBHNHMYXIGYNU-NTUHNPAUSA-N -1 0 339.347 3.860 20 0 EHADRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc2cccnc21 ZINC000031667404 1127838470 /nfs/dbraw/zinc/83/84/70/1127838470.db2.gz LSELCQFAEHTUPK-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000044253838 1127933189 /nfs/dbraw/zinc/93/31/89/1127933189.db2.gz FDQBESOHMSADDA-UHFFFAOYSA-N -1 0 329.780 3.679 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@@H](CC1CC1)C(=O)[O-] ZINC000347510196 1128025073 /nfs/dbraw/zinc/02/50/73/1128025073.db2.gz CNIHTSVKFIUZBC-OTYXRUKQSA-N -1 0 344.238 3.542 20 0 EHADRM Cc1ccccc1[C@@H]1CCCN1Cc1c([O-])nnn1-c1ccccc1 ZINC000057089329 1128036948 /nfs/dbraw/zinc/03/69/48/1128036948.db2.gz LPNSUFTYRUFHOI-SFHVURJKSA-N -1 0 334.423 3.618 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)s1 ZINC000057119283 1128037292 /nfs/dbraw/zinc/03/72/92/1128037292.db2.gz KXQZTHUFASPVTC-UHFFFAOYSA-N -1 0 334.422 3.766 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC[C@@H]1c1cccnc1 ZINC000072832913 1128307351 /nfs/dbraw/zinc/30/73/51/1128307351.db2.gz VWOPNUYWTJEGOM-CQSZACIVSA-N -1 0 325.393 3.863 20 0 EHADRM O=C([N-]S(=O)(=O)CC1CC1)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000073537025 1128392994 /nfs/dbraw/zinc/39/29/94/1128392994.db2.gz LOSGNJZWDMBMCI-QWRGUYRKSA-N -1 0 348.251 3.793 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)[N-]S(=O)(=O)CC1CC1 ZINC000073539340 1128395785 /nfs/dbraw/zinc/39/57/85/1128395785.db2.gz FEQWKJOSKLJPDR-VIFPVBQESA-N -1 0 333.862 3.517 20 0 EHADRM N#C/C(=C/c1ccc([N+](=O)[O-])c([O-])c1)C(=O)c1ccc(F)c(Cl)c1 ZINC000090988081 1128429780 /nfs/dbraw/zinc/42/97/80/1128429780.db2.gz PHNADUBGSBLKMA-WZUFQYTHSA-N -1 0 346.701 3.883 20 0 EHADRM CCOc1ccc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)c(C)c1 ZINC000055151002 1128506693 /nfs/dbraw/zinc/50/66/93/1128506693.db2.gz KILMPNOZPSGTDC-MRXNPFEDSA-N -1 0 327.380 3.591 20 0 EHADRM CCc1nc2cc(NC(=O)C[C@H](C(=O)[O-])c3ccccc3)ccc2o1 ZINC000055150508 1128506772 /nfs/dbraw/zinc/50/67/72/1128506772.db2.gz VMHQEWPSDVXGBE-AWEZNQCLSA-N -1 0 338.363 3.587 20 0 EHADRM Cc1cccc2c(=O)[nH]c(C(Cl)=Cc3cc(C(=O)[O-])cs3)nc12 ZINC000765824066 1128515839 /nfs/dbraw/zinc/51/58/39/1128515839.db2.gz JEOBEHHANMOLLG-WUXMJOGZSA-N -1 0 346.795 3.728 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)s1 ZINC000055598254 1128524613 /nfs/dbraw/zinc/52/46/13/1128524613.db2.gz ZIMKLCSCEWBYAC-UHFFFAOYSA-N -1 0 333.381 3.713 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)c1 ZINC000055598375 1128524933 /nfs/dbraw/zinc/52/49/33/1128524933.db2.gz YLTMNJZIHOUPFA-UHFFFAOYSA-N -1 0 331.315 3.536 20 0 EHADRM CCOc1cc(/C=C/c2ncc(C(=O)[O-])c(C(C)C)n2)ccc1O ZINC000172555151 1128533641 /nfs/dbraw/zinc/53/36/41/1128533641.db2.gz VIUICVLLTVSCSX-SOFGYWHQSA-N -1 0 328.368 3.573 20 0 EHADRM CN(Cc1ccc(F)cc1Cl)C(=O)c1c([O-])cc(F)cc1F ZINC000107353935 1128533866 /nfs/dbraw/zinc/53/38/66/1128533866.db2.gz CUKCITQYZOJJBU-UHFFFAOYSA-N -1 0 329.705 3.735 20 0 EHADRM Clc1cc2c(s1)CC[C@@H]2N=c1[n-]nc(C2CCOCC2)s1 ZINC000338727128 1128770594 /nfs/dbraw/zinc/77/05/94/1128770594.db2.gz WUCWVMSNZHKLRG-JTQLQIEISA-N -1 0 341.889 3.668 20 0 EHADRM CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC001648840459 1120052134 /nfs/dbraw/zinc/05/21/34/1120052134.db2.gz VBHQKFPWQXOBCC-SMDDNHRTSA-N -1 0 346.652 3.973 20 0 EHADRM O=S(=O)([N-]c1c(Cl)cc(Cl)cc1Cl)C(F)(F)F ZINC000166892865 1120085970 /nfs/dbraw/zinc/08/59/70/1120085970.db2.gz PJEXHPDVKPPVHX-UHFFFAOYSA-N -1 0 328.526 3.908 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@H](C)Cc2ccccc2Cl)cc1C(=O)[O-] ZINC000263183473 1120254035 /nfs/dbraw/zinc/25/40/35/1120254035.db2.gz RSJLJYQSWZXLPY-LLVKDONJSA-N -1 0 349.814 3.777 20 0 EHADRM Cc1[nH]nc(NC(=O)c2c([O-])cc(F)cc2F)c1-c1ccccc1F ZINC001648964090 1120283861 /nfs/dbraw/zinc/28/38/61/1120283861.db2.gz YDWALLIXYZLWBF-UHFFFAOYSA-N -1 0 347.296 3.760 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)cc1C ZINC000185282343 1120406922 /nfs/dbraw/zinc/40/69/22/1120406922.db2.gz GWJHKAAAOKWBPZ-UHFFFAOYSA-N -1 0 346.383 3.619 20 0 EHADRM Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000153033225 1120536780 /nfs/dbraw/zinc/53/67/80/1120536780.db2.gz APFLYZBOSTXDDB-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc3oc(C)nc3c2)sc1Cl ZINC000190211494 1120629910 /nfs/dbraw/zinc/62/99/10/1120629910.db2.gz YWCSTUGIHHVWKZ-UHFFFAOYSA-N -1 0 342.829 3.960 20 0 EHADRM O=C(NC[C@H]1CCCc2ccccc21)c1cc(F)c(F)c([O-])c1F ZINC000193924911 1120808572 /nfs/dbraw/zinc/80/85/72/1120808572.db2.gz PFMYOKYBLMGEKZ-LLVKDONJSA-N -1 0 335.325 3.659 20 0 EHADRM CCS(=O)(=O)[N-]c1nc(-c2cc(Cl)sc2Cl)cs1 ZINC000194664674 1120853974 /nfs/dbraw/zinc/85/39/74/1120853974.db2.gz DJSCRSHNOGPCLB-UHFFFAOYSA-N -1 0 343.282 3.940 20 0 EHADRM Cc1cc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c(C)n1C(C)C ZINC000262324312 1120893727 /nfs/dbraw/zinc/89/37/27/1120893727.db2.gz SPYZVJWFJXNOHF-UAGQMJEPSA-N -1 0 332.444 3.544 20 0 EHADRM COc1ccc(CCC(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)cc1F ZINC000914730782 1120966786 /nfs/dbraw/zinc/96/67/86/1120966786.db2.gz RTLKEVOKNHVRRT-WDZFZDKYSA-N -1 0 343.354 3.503 20 0 EHADRM CCCc1nc(=NC(=O)c2sc3cc(F)ccc3c2C)s[n-]1 ZINC000495314038 1121066076 /nfs/dbraw/zinc/06/60/76/1121066076.db2.gz CSSMRBWFALWRHZ-UHFFFAOYSA-N -1 0 335.429 3.827 20 0 EHADRM CSc1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)cc1 ZINC000915046131 1121140887 /nfs/dbraw/zinc/14/08/87/1121140887.db2.gz SVUJNMZWYLCMTO-UHFFFAOYSA-N -1 0 343.433 3.598 20 0 EHADRM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000236591262 1121457733 /nfs/dbraw/zinc/45/77/33/1121457733.db2.gz GECVDVKGHQTFPJ-RHSMWYFYSA-N -1 0 334.460 3.681 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000237269482 1121478732 /nfs/dbraw/zinc/47/87/32/1121478732.db2.gz XGBOMNCGUYRKMU-UHFFFAOYSA-N -1 0 343.810 3.728 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1C(=O)[O-] ZINC000237661383 1121490585 /nfs/dbraw/zinc/49/05/85/1121490585.db2.gz KLCUQTQZBOKPMB-UHFFFAOYSA-N -1 0 339.269 3.844 20 0 EHADRM Cc1nc2ccc(Nc3cc(S(=O)(=O)[O-])ccc3Cl)cc2o1 ZINC001213069523 1121613371 /nfs/dbraw/zinc/61/33/71/1121613371.db2.gz UIAOUNRSXURTFG-UHFFFAOYSA-N -1 0 338.772 3.780 20 0 EHADRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(F)ccc1OC(F)F ZINC000470458373 1121693200 /nfs/dbraw/zinc/69/32/00/1121693200.db2.gz CTZGALOQSIPGNX-UHFFFAOYSA-N -1 0 349.305 3.675 20 0 EHADRM C[C@@H](CC(=O)N=c1ccc(C2CC2)n[n-]1)Cc1ccc(Cl)cc1 ZINC000537907302 1121695613 /nfs/dbraw/zinc/69/56/13/1121695613.db2.gz QJTZLJJIOPOJRJ-GFCCVEGCSA-N -1 0 329.831 3.637 20 0 EHADRM Cc1cc(C)cc(C[C@@H](C)NC(=O)NCc2ccc(O)c(F)c2)c1 ZINC000465981875 1129003258 /nfs/dbraw/zinc/00/32/58/1129003258.db2.gz PJTTVGYMJSZZEC-CQSZACIVSA-N -1 0 330.403 3.579 20 0 EHADRM CCc1ccc(C(=O)N[C@@H](C)c2cc(F)ccc2N(C)C)c(O)c1 ZINC001649024119 1121802361 /nfs/dbraw/zinc/80/23/61/1121802361.db2.gz WZMPJNRQELHULZ-LBPRGKRZSA-N -1 0 330.403 3.651 20 0 EHADRM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C)s2)c1 ZINC000055638692 1121848556 /nfs/dbraw/zinc/84/85/56/1121848556.db2.gz CTUWBFKEJGMLOX-UHFFFAOYSA-N -1 0 338.454 3.596 20 0 EHADRM CCCOc1ccc(CNc2cc(C(=O)[O-])ccc2OC)cc1OC ZINC000106993147 1121860699 /nfs/dbraw/zinc/86/06/99/1121860699.db2.gz JIRQEFHKZUIWBY-UHFFFAOYSA-N -1 0 345.395 3.803 20 0 EHADRM O=C([O-])C1=C(C(=O)Nc2cc(C(F)(F)F)ccc2F)CCCC1 ZINC000324470561 1121919698 /nfs/dbraw/zinc/91/96/98/1121919698.db2.gz NDDMRXSBYDWTOC-UHFFFAOYSA-N -1 0 331.265 3.738 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1cccs1 ZINC000013388807 1129021112 /nfs/dbraw/zinc/02/11/12/1129021112.db2.gz FPUSXEIPZSTEQW-NSHDSACASA-N -1 0 343.326 3.713 20 0 EHADRM Cc1ccccc1C[C@H](C)C(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000630097427 1121967784 /nfs/dbraw/zinc/96/77/84/1121967784.db2.gz XVOBHGXSCCKVFP-KRWDZBQOSA-N -1 0 339.435 3.677 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@H](C)CC(C)(C)C)c(C)c1 ZINC000916655119 1122244583 /nfs/dbraw/zinc/24/45/83/1122244583.db2.gz RQUFVHWNBZRVIG-ZDUSSCGKSA-N -1 0 325.474 3.571 20 0 EHADRM CCc1cc(C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)n[nH]1 ZINC000127738795 1122504490 /nfs/dbraw/zinc/50/44/90/1122504490.db2.gz HAMHNPYVTDBWFL-UHFFFAOYSA-N -1 0 334.590 3.890 20 0 EHADRM COc1cccc(-c2n[nH]cc2C=Cc2nc(C(=O)[O-])c(C)s2)c1 ZINC000672776473 1129070231 /nfs/dbraw/zinc/07/02/31/1129070231.db2.gz KRQLZGFIRWTWIN-SREVYHEPSA-N -1 0 341.392 3.719 20 0 EHADRM C[C@H](C(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-])c1cc2ccccc2o1 ZINC000262725385 1122791318 /nfs/dbraw/zinc/79/13/18/1122791318.db2.gz GHUWISMICXOEGV-PJFSTRORSA-N -1 0 329.396 3.686 20 0 EHADRM COC(=O)c1ccc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc1 ZINC000154711853 1122800339 /nfs/dbraw/zinc/80/03/39/1122800339.db2.gz QKPIWLIJYDNYKO-UHFFFAOYSA-N -1 0 340.162 3.738 20 0 EHADRM CCC(CC)(CC(=O)Nc1ccc(C)c(Br)c1)C(=O)[O-] ZINC000070140523 1122855620 /nfs/dbraw/zinc/85/56/20/1122855620.db2.gz FBCDODRUFIQUKC-UHFFFAOYSA-N -1 0 342.233 3.977 20 0 EHADRM O=C(NOCCC(F)(F)F)c1cc(Cl)c2ccccc2c1[O-] ZINC000154862600 1122953628 /nfs/dbraw/zinc/95/36/28/1122953628.db2.gz ZEWFOGFYKNQIQH-UHFFFAOYSA-N -1 0 333.693 3.813 20 0 EHADRM CN(C[C@H]1CCCO1)C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000130659276 1122983645 /nfs/dbraw/zinc/98/36/45/1122983645.db2.gz WTDCTEUMTCPAKR-OAHLLOKOSA-N -1 0 345.826 3.964 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cn2)cc1C ZINC000071675393 1122991824 /nfs/dbraw/zinc/99/18/24/1122991824.db2.gz RVHXGEQEKPBZEZ-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM Cn1nc(CC(C)(C)C)cc1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000131603745 1123148088 /nfs/dbraw/zinc/14/80/88/1123148088.db2.gz JZJYIBKDOHOAQJ-UHFFFAOYSA-N -1 0 347.440 3.556 20 0 EHADRM COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2C)cc1 ZINC000072760914 1123154698 /nfs/dbraw/zinc/15/46/98/1123154698.db2.gz KQBWKJSSZUWUQA-UHFFFAOYSA-N -1 0 345.342 3.823 20 0 EHADRM O=C(Nc1nnc(C2CC2)s1)c1c([O-])cc(Cl)cc1Cl ZINC000556956608 1123234337 /nfs/dbraw/zinc/23/43/37/1123234337.db2.gz IIQFBRZQRIFZFI-UHFFFAOYSA-N -1 0 330.196 3.680 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc3n[nH]cc3c(C)c2)c(Cl)c1 ZINC000499265237 1123315546 /nfs/dbraw/zinc/31/55/46/1123315546.db2.gz JKZKCDKSAKDWIC-UHFFFAOYSA-N -1 0 335.816 3.634 20 0 EHADRM CCOc1cc(C(=O)N=c2nc(-c3ccsc3)[n-]s2)ccc1C ZINC000499322204 1123351529 /nfs/dbraw/zinc/35/15/29/1123351529.db2.gz BZVNXBCTZNORJO-UHFFFAOYSA-N -1 0 345.449 3.648 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cccc(F)c2C)c1 ZINC000075082627 1123361372 /nfs/dbraw/zinc/36/13/72/1123361372.db2.gz SLAZWKGBYXRZCK-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM C[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)c1ccc(-n2cccn2)cc1 ZINC000075544553 1123401685 /nfs/dbraw/zinc/40/16/85/1123401685.db2.gz FGPDOJMUVJVSEU-GFCCVEGCSA-N -1 0 341.798 3.722 20 0 EHADRM COC(C)(C)c1nc(C)c(C(=O)Nc2cccc(Cl)c2[O-])s1 ZINC000354377777 1123478509 /nfs/dbraw/zinc/47/85/09/1123478509.db2.gz BTUIWBXDAJAOMZ-UHFFFAOYSA-N -1 0 340.832 3.944 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC000237023789 1123488617 /nfs/dbraw/zinc/48/86/17/1123488617.db2.gz XNUXYYFIJVBXBZ-ZDUSSCGKSA-N -1 0 337.485 3.836 20 0 EHADRM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1c([O-])cc(F)cc1F ZINC000066044476 1129125681 /nfs/dbraw/zinc/12/56/81/1129125681.db2.gz TWCFGEADVVOZIF-QMMMGPOBSA-N -1 0 327.277 3.782 20 0 EHADRM Cc1ccc(CSCCNC(=O)c2c([O-])cc(F)cc2F)cc1 ZINC000066042651 1129125774 /nfs/dbraw/zinc/12/57/74/1129125774.db2.gz VJYFALAUWOUBHI-UHFFFAOYSA-N -1 0 337.391 3.642 20 0 EHADRM CN(Cc1c(F)cccc1Cl)C(=O)c1c([O-])cc(F)cc1F ZINC000066041669 1129125808 /nfs/dbraw/zinc/12/58/08/1129125808.db2.gz XRILRJOXQNAIGH-UHFFFAOYSA-N -1 0 329.705 3.735 20 0 EHADRM C[C@@H]1C[C@@H]1[C@@H](NC(=O)c1ccc(C(=O)[O-])o1)c1ccc(Cl)cc1 ZINC000237354016 1123514040 /nfs/dbraw/zinc/51/40/40/1123514040.db2.gz OBDUGOSIQUMQSY-LYSGOOTNSA-N -1 0 333.771 3.758 20 0 EHADRM C[C@H]1CCC[C@@H](CC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)C1 ZINC000237520524 1123522774 /nfs/dbraw/zinc/52/27/74/1123522774.db2.gz OTSXPPUSCCZPKW-NWDGAFQWSA-N -1 0 339.819 3.958 20 0 EHADRM CCn1cc(CN(C)C(=O)c2cc(Cl)c3ccccc3c2[O-])cn1 ZINC000080028116 1123735863 /nfs/dbraw/zinc/73/58/63/1123735863.db2.gz NEIXOECBOHHKBL-UHFFFAOYSA-N -1 0 343.814 3.687 20 0 EHADRM CC[C@H](C)n1ncc(C(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)c1C ZINC000615281446 1123772206 /nfs/dbraw/zinc/77/22/06/1123772206.db2.gz PJIVJUBWBBTZJT-NSHDSACASA-N -1 0 339.399 3.511 20 0 EHADRM Cc1cc2[nH]c(C(=O)N[C@@H](CC(=O)[O-])c3cccs3)cc2c(C)c1 ZINC000237622669 1123793445 /nfs/dbraw/zinc/79/34/45/1123793445.db2.gz XZINSISWEACXPC-AWEZNQCLSA-N -1 0 342.420 3.792 20 0 EHADRM Cc1cccc(OCCCCC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000237707551 1123824439 /nfs/dbraw/zinc/82/44/39/1123824439.db2.gz CCPYZYAYWNWDHY-QGZVFWFLSA-N -1 0 347.455 3.790 20 0 EHADRM Cc1ccccc1CCC(=O)N[C@H](CC(=O)[O-])c1ccccc1C ZINC000237721557 1123826446 /nfs/dbraw/zinc/82/64/46/1123826446.db2.gz ZQKSMLYILCULHD-GOSISDBHSA-N -1 0 325.408 3.568 20 0 EHADRM Cc1ccc(-c2ocnc2C(=O)NCCCCCCCC(=O)[O-])cc1 ZINC000237815092 1123868882 /nfs/dbraw/zinc/86/88/82/1123868882.db2.gz GDSKDRWJIQGNCI-UHFFFAOYSA-N -1 0 344.411 3.805 20 0 EHADRM Cc1cc2[nH]c(C(=O)NCCCCCCCC(=O)[O-])cc2c(C)c1 ZINC000237828572 1123871687 /nfs/dbraw/zinc/87/16/87/1123871687.db2.gz CLZMTYAGLDOYOM-UHFFFAOYSA-N -1 0 330.428 3.940 20 0 EHADRM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000245687448 1123923039 /nfs/dbraw/zinc/92/30/39/1123923039.db2.gz ITYGIAUFJUOMTH-AEGPPILISA-N -1 0 341.411 3.575 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)s1 ZINC000237970592 1123929288 /nfs/dbraw/zinc/92/92/88/1123929288.db2.gz MBANYUNYMYTUTI-UHFFFAOYSA-N -1 0 335.812 3.905 20 0 EHADRM O=S(=O)([N-]c1ccnc(Cl)c1)c1cccc(Cl)c1Cl ZINC000180250349 1123969634 /nfs/dbraw/zinc/96/96/34/1123969634.db2.gz OTXYSCLFKGKGSA-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM CCN(C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-])C1CC(C)(C)C1 ZINC000616302488 1123980137 /nfs/dbraw/zinc/98/01/37/1123980137.db2.gz BEFTZSFVFZTIRL-UHFFFAOYSA-N -1 0 349.381 3.507 20 0 EHADRM CCc1ccccc1CC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000263543574 1124055163 /nfs/dbraw/zinc/05/51/63/1124055163.db2.gz SBWRRXIEBNWXBW-AWEZNQCLSA-N -1 0 325.408 3.693 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)CC(C)(C)C(F)(F)F ZINC000263543925 1124058416 /nfs/dbraw/zinc/05/84/16/1124058416.db2.gz SEMUOCYELOZGSV-LBPRGKRZSA-N -1 0 331.334 3.606 20 0 EHADRM CC(C)Oc1cc(F)ccc1Nc1cccc(S(=O)(=O)[O-])c1 ZINC001212293788 1124492462 /nfs/dbraw/zinc/49/24/62/1124492462.db2.gz CIFUZCHDMPRHNX-UHFFFAOYSA-N -1 0 325.361 3.603 20 0 EHADRM CC(C)[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000734703121 1131268361 /nfs/dbraw/zinc/26/83/61/1131268361.db2.gz GSWRWNJNGFBRNJ-QGZVFWFLSA-N -1 0 337.485 3.734 20 0 EHADRM Cc1ccc(OCc2ccccc2)c(NC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])c1 ZINC000263573172 1124617019 /nfs/dbraw/zinc/61/70/19/1124617019.db2.gz LZRINBNVARBJJL-CVEARBPZSA-N -1 0 339.391 3.623 20 0 EHADRM CCC(O)(CC)C(C)(C)CNC(=O)CCCc1ccc(O)c(F)c1 ZINC000617509623 1124626092 /nfs/dbraw/zinc/62/60/92/1124626092.db2.gz QZKAGMOUKHEOIU-UHFFFAOYSA-N -1 0 339.451 3.548 20 0 EHADRM CCc1oc(C(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)cc1C(=O)[O-] ZINC000263575646 1124641819 /nfs/dbraw/zinc/64/18/19/1124641819.db2.gz PISDXNJWKJEETF-HUUCEWRRSA-N -1 0 341.407 3.681 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(-n3cccc3)c2)cnc1Cl ZINC000735267406 1131327650 /nfs/dbraw/zinc/32/76/50/1131327650.db2.gz PAMNOPSGCQCWHT-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)cc1 ZINC000070031096 1125163948 /nfs/dbraw/zinc/16/39/48/1125163948.db2.gz NRHMWRCIULPTSD-CYBMUJFWSA-N -1 0 349.427 3.978 20 0 EHADRM Cc1cc(Br)cnc1-n1[n-]c2c(c1=O)CCCCCC2 ZINC000634616363 1125250830 /nfs/dbraw/zinc/25/08/30/1125250830.db2.gz KFSGKNFMVUKFKX-GFCCVEGCSA-N -1 0 336.233 3.826 20 0 EHADRM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CC(CC2CCOCC2)C1 ZINC000829315706 1125393102 /nfs/dbraw/zinc/39/31/02/1125393102.db2.gz BIILDZGERXCJTB-UHFFFAOYSA-N -1 0 344.238 3.588 20 0 EHADRM CCN(CC)c1ccc(C(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC000262254682 1125416608 /nfs/dbraw/zinc/41/66/08/1125416608.db2.gz QNCCLJJWIBSSTL-UHFFFAOYSA-N -1 0 340.423 3.802 20 0 EHADRM O=C(N[N-]C(=O)c1cc2ccccc2o1)Nc1cc(Cl)ccc1F ZINC000183044935 1125430852 /nfs/dbraw/zinc/43/08/52/1125430852.db2.gz YMEIXMYCUMBYNT-UHFFFAOYSA-N -1 0 347.733 3.692 20 0 EHADRM C[C@@H](Sc1n[n-]c(=NCc2ccc(F)cc2)s1)c1ccncc1 ZINC000619950648 1125442208 /nfs/dbraw/zinc/44/22/08/1125442208.db2.gz CCKUAVANIDOLDU-LLVKDONJSA-N -1 0 346.456 3.960 20 0 EHADRM CCOc1ccc(-c2ccccc2[C@H](OC)C(=O)[O-])cc1OCC ZINC000657203915 1129201364 /nfs/dbraw/zinc/20/13/64/1129201364.db2.gz HRIJTYBVUWFOGZ-SFHVURJKSA-N -1 0 330.380 3.923 20 0 EHADRM O=C([O-])c1cnc(C=Cc2ccc(-c3ccccc3F)s2)[nH]c1=O ZINC000670369892 1129210416 /nfs/dbraw/zinc/21/04/16/1129210416.db2.gz ICWILZYHGCSNLE-VURMDHGXSA-N -1 0 342.351 3.918 20 0 EHADRM COc1c(Cl)cccc1NC(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC000067456327 1129276078 /nfs/dbraw/zinc/27/60/78/1129276078.db2.gz YAIXZHLFKDHUNM-LBPRGKRZSA-N -1 0 333.771 3.546 20 0 EHADRM CCCCOc1cccc(CNC(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000478835166 1129279856 /nfs/dbraw/zinc/27/98/56/1129279856.db2.gz GEFWXOWSGTZFPH-UHFFFAOYSA-N -1 0 345.370 3.633 20 0 EHADRM O=C(/C=C/C1CCCCC1)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000735598743 1131364474 /nfs/dbraw/zinc/36/44/74/1131364474.db2.gz MMSSIKWEWYQEAV-JLHYYAGUSA-N -1 0 345.464 3.556 20 0 EHADRM Cc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])c(Cl)c1 ZINC000499740921 1129442136 /nfs/dbraw/zinc/44/21/36/1129442136.db2.gz LMWCBPNGSPUFLC-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM O=C(N[N-]C(=O)c1c(Cl)cccc1Cl)Nc1ccsc1 ZINC000186539488 1129565232 /nfs/dbraw/zinc/56/52/32/1129565232.db2.gz LNWAGRRSQMXHAF-UHFFFAOYSA-N -1 0 330.196 3.521 20 0 EHADRM O=C(OCc1coc(-c2cccs2)n1)c1c(F)cc([O-])cc1F ZINC000735952573 1131393296 /nfs/dbraw/zinc/39/32/96/1131393296.db2.gz QQVXBOYDXSYXCV-UHFFFAOYSA-N -1 0 337.303 3.744 20 0 EHADRM Cc1ccc2c(CSc3nc(C4CC4)cc(=O)[nH]3)ccc(O)c2n1 ZINC000509088574 1129735594 /nfs/dbraw/zinc/73/55/94/1129735594.db2.gz DAADVTJUUHRADD-UHFFFAOYSA-N -1 0 339.420 3.914 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)c1c(Cl)c2ccccc2n1C ZINC000073837552 1129750001 /nfs/dbraw/zinc/75/00/01/1129750001.db2.gz RMRLDPJXAQYTJD-UHFFFAOYSA-N -1 0 342.848 3.655 20 0 EHADRM O=C([O-])c1ccc(Nc2ncc(F)cc2Br)c(F)c1F ZINC001212511150 1129876777 /nfs/dbraw/zinc/87/67/77/1129876777.db2.gz UVIPYORSVWJNPM-UHFFFAOYSA-N -1 0 347.090 3.703 20 0 EHADRM Cc1cccc(O)c1C(=O)N1C[C@@H](c2ccccc2Cl)OC[C@@H]1C ZINC000625486591 1129902832 /nfs/dbraw/zinc/90/28/32/1129902832.db2.gz HUYPGJVLNMWCFJ-GUYCJALGSA-N -1 0 345.826 3.956 20 0 EHADRM Cc1csc(CCNC(=O)c2cc(Cl)c3ccccc3c2[O-])n1 ZINC000674324683 1130065509 /nfs/dbraw/zinc/06/55/09/1130065509.db2.gz PLQWQHZSMXVOBW-UHFFFAOYSA-N -1 0 346.839 3.936 20 0 EHADRM CC1(C)CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CCCO1 ZINC000674326942 1130066241 /nfs/dbraw/zinc/06/62/41/1130066241.db2.gz TZYNBYZUEBMBGY-UHFFFAOYSA-N -1 0 333.815 3.840 20 0 EHADRM CCc1cccc(CC)c1S(=O)(=O)[N-]c1nnc(C(C)C)s1 ZINC000674485777 1130104975 /nfs/dbraw/zinc/10/49/75/1130104975.db2.gz AJQKESKTIKOIOA-UHFFFAOYSA-N -1 0 339.486 3.587 20 0 EHADRM CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2cccc(Cl)c2[O-])c1 ZINC000172111984 1130107611 /nfs/dbraw/zinc/10/76/11/1130107611.db2.gz AIIFMCBUSYZHEE-NSHDSACASA-N -1 0 333.771 3.654 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(COC(C)(C)C)cc2)c(O)c1 ZINC000674524408 1130115718 /nfs/dbraw/zinc/11/57/18/1130115718.db2.gz OFDZFALKKKPTDE-UHFFFAOYSA-N -1 0 329.396 3.968 20 0 EHADRM CC[C@@H](c1n[n-]c(=NCc2cccc3nccn32)s1)c1ccccc1 ZINC000347896144 1130188876 /nfs/dbraw/zinc/18/88/76/1130188876.db2.gz MVDABXOMJMAFSN-MRXNPFEDSA-N -1 0 349.463 3.762 20 0 EHADRM CCOC(=O)c1cnc(NC(=O)c2ccccc2-c2ccccc2)[n-]1 ZINC001128847033 1130206473 /nfs/dbraw/zinc/20/64/73/1130206473.db2.gz KBLOLNJAOJIVSS-UHFFFAOYSA-N -1 0 335.363 3.506 20 0 EHADRM CC(C)(CNC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])Cc1cccc(Cl)c1 ZINC000674901301 1130218509 /nfs/dbraw/zinc/21/85/09/1130218509.db2.gz GTOPQKHJXKYJFY-HOTGVXAUSA-N -1 0 349.858 3.692 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)CCc1ccccc1F)C(=O)[O-] ZINC000675967180 1130511193 /nfs/dbraw/zinc/51/11/93/1130511193.db2.gz XQXFWASTJUDLSD-HNNXBMFYSA-N -1 0 343.398 3.508 20 0 EHADRM O=C([O-])CCN(CC1CC1)C(=O)C1CCC(c2ccccc2)CC1 ZINC000675971774 1130512371 /nfs/dbraw/zinc/51/23/71/1130512371.db2.gz CKXXKDVYPXIWAS-UHFFFAOYSA-N -1 0 329.440 3.674 20 0 EHADRM O=C(NCc1ccccc1N1CCCC1)c1cc(F)cc(Cl)c1[O-] ZINC000676122634 1130535241 /nfs/dbraw/zinc/53/52/41/1130535241.db2.gz CCTPTTOXMZKNQD-UHFFFAOYSA-N -1 0 348.805 3.715 20 0 EHADRM Cc1cccc(CC2CN(C(=O)c3cc(F)cc(Cl)c3[O-])C2)c1 ZINC000676168216 1130539090 /nfs/dbraw/zinc/53/90/90/1130539090.db2.gz GNSVCPKBJFWBTG-UHFFFAOYSA-N -1 0 333.790 3.808 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)c2ccccc2SC(C)C)c1 ZINC000729885799 1130652672 /nfs/dbraw/zinc/65/26/72/1130652672.db2.gz LWKZNQTYSWYMAK-UHFFFAOYSA-N -1 0 349.477 3.614 20 0 EHADRM CN(Cc1ccc2ccccc2c1)C(=O)c1n[n-]c2ccccc2c1=O ZINC000732258838 1130906776 /nfs/dbraw/zinc/90/67/76/1130906776.db2.gz YEQPUUWYIJUXCY-UHFFFAOYSA-N -1 0 343.386 3.761 20 0 EHADRM CCN(Cc1cccc(Cl)c1)C(=O)c1n[n-]c2ccccc2c1=O ZINC000732269316 1130907756 /nfs/dbraw/zinc/90/77/56/1130907756.db2.gz QEDMRZJTWZJNAF-UHFFFAOYSA-N -1 0 341.798 3.651 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000734079648 1131194075 /nfs/dbraw/zinc/19/40/75/1131194075.db2.gz SZVZYNXFINYJMG-CYBMUJFWSA-N -1 0 343.876 3.751 20 0 EHADRM Cc1c2ccccc2oc1C(=O)N(CCc1ccccc1)CC(=O)[O-] ZINC000178936424 1131445543 /nfs/dbraw/zinc/44/55/43/1131445543.db2.gz KGNBGTGQQQHOSL-UHFFFAOYSA-N -1 0 337.375 3.511 20 0 EHADRM C[C@H](CC(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1)CC(C)(C)C ZINC000737352259 1131510339 /nfs/dbraw/zinc/51/03/39/1131510339.db2.gz CPXUHSNEXYKYOD-KGLIPLIRSA-N -1 0 325.474 3.656 20 0 EHADRM CS[C@@H]1CC[C@@H](NS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000742326845 1131705897 /nfs/dbraw/zinc/70/58/97/1131705897.db2.gz AWXKFWHWSYCLSW-RKDXNWHRSA-N -1 0 340.297 3.556 20 0 EHADRM CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000744014729 1132007670 /nfs/dbraw/zinc/00/76/70/1132007670.db2.gz YPCRHQIZYQUGEC-CQSZACIVSA-N -1 0 337.485 3.587 20 0 EHADRM CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000744072044 1132016027 /nfs/dbraw/zinc/01/60/27/1132016027.db2.gz LZGAHFAKXMAHIE-NSHDSACASA-N -1 0 349.855 3.891 20 0 EHADRM CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1cc(C)sc1C ZINC000744079339 1132017059 /nfs/dbraw/zinc/01/70/59/1132017059.db2.gz NBBDTHLIXOEIIY-NSHDSACASA-N -1 0 331.503 3.776 20 0 EHADRM COc1ccc(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)cc1 ZINC001173805320 1132152328 /nfs/dbraw/zinc/15/23/28/1132152328.db2.gz JWTLIOURGWDQRA-UHFFFAOYSA-N -1 0 329.377 3.839 20 0 EHADRM Cc1cc(S(=O)(=O)[O-])c(Nc2c(F)cccc2F)cc1Cl ZINC001173862346 1132158046 /nfs/dbraw/zinc/15/80/46/1132158046.db2.gz SNKJBANDIFGYIJ-UHFFFAOYSA-N -1 0 333.743 3.917 20 0 EHADRM COc1ccc(Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)cc1F ZINC001173865849 1132158837 /nfs/dbraw/zinc/15/88/37/1132158837.db2.gz NDGYOFIHBWFMLE-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM COc1cccc(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)c1 ZINC001173828276 1132161507 /nfs/dbraw/zinc/16/15/07/1132161507.db2.gz GOXFNXZVGCALQA-UHFFFAOYSA-N -1 0 329.377 3.839 20 0 EHADRM COc1ccc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])c(C)c1 ZINC001174024979 1132218010 /nfs/dbraw/zinc/21/80/10/1132218010.db2.gz YNJIFVCOGSKXEB-UHFFFAOYSA-N -1 0 327.789 3.647 20 0 EHADRM O=S(=O)([O-])c1cc(Cl)ccc1Nc1cncc2ccccc21 ZINC001174101762 1132228578 /nfs/dbraw/zinc/22/85/78/1132228578.db2.gz VNVYTKMIDJONDO-UHFFFAOYSA-N -1 0 334.784 3.879 20 0 EHADRM Cc1ccc(F)c(Nc2c(O)cc(S(=O)(=O)[O-])c3ccccc32)c1 ZINC001174111962 1132231787 /nfs/dbraw/zinc/23/17/87/1132231787.db2.gz QBEKHRPMXDKVTJ-UHFFFAOYSA-N -1 0 347.367 3.983 20 0 EHADRM O=S(=O)([O-])c1ccc(Cl)c(Nc2cccc3cnccc32)c1 ZINC001174139088 1132251345 /nfs/dbraw/zinc/25/13/45/1132251345.db2.gz FFURWLQRUIMZFF-UHFFFAOYSA-N -1 0 334.784 3.879 20 0 EHADRM COc1ccc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])cc1Cl ZINC001174154634 1132257650 /nfs/dbraw/zinc/25/76/50/1132257650.db2.gz HPAAZNSAFRTOFN-UHFFFAOYSA-N -1 0 348.207 3.992 20 0 EHADRM O=S(=O)(c1ccc(Nc2ccccc2[S-])cc1)N1CCCCC1 ZINC001174262049 1132304769 /nfs/dbraw/zinc/30/47/69/1132304769.db2.gz LYKJNPLSNDKQPE-UHFFFAOYSA-N -1 0 348.493 3.894 20 0 EHADRM CC(C)(C)c1nc(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)cs1 ZINC000737587058 1132326558 /nfs/dbraw/zinc/32/65/58/1132326558.db2.gz ATRCFWRWMVXEHC-RMKNXTFCSA-N -1 0 330.409 3.791 20 0 EHADRM O=S(=O)([O-])c1ccc2c(cccc2Nc2cnc3[nH]ccc3c2)c1 ZINC001174398829 1132332447 /nfs/dbraw/zinc/33/24/47/1132332447.db2.gz KHLXNYFSNVQUDF-UHFFFAOYSA-N -1 0 339.376 3.658 20 0 EHADRM O=S(=O)([O-])c1cc(Cl)ccc1Nc1ccc2ncsc2c1 ZINC001174369339 1132338560 /nfs/dbraw/zinc/33/85/60/1132338560.db2.gz VQHREORXOFOEKG-UHFFFAOYSA-N -1 0 340.813 3.940 20 0 EHADRM CC(C)(O)c1cccc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)c1 ZINC001174409181 1132365628 /nfs/dbraw/zinc/36/56/28/1132365628.db2.gz JEVHYILFMCLVJS-UHFFFAOYSA-N -1 0 341.816 3.558 20 0 EHADRM CCN(CC)c1ccc(NC(=O)c2ccc3[n-]c(=S)oc3c2)cn1 ZINC000746128770 1132379456 /nfs/dbraw/zinc/37/94/56/1132379456.db2.gz CLYUVTAPMPOOIQ-UHFFFAOYSA-N -1 0 342.424 3.610 20 0 EHADRM CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000746281544 1132400901 /nfs/dbraw/zinc/40/09/01/1132400901.db2.gz PKYMHVJQJLXJGT-WFASDCNBSA-N -1 0 348.468 3.688 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc(Br)cc1O ZINC001174677310 1132433800 /nfs/dbraw/zinc/43/38/00/1132433800.db2.gz MUPUGYYSQMZIKT-UHFFFAOYSA-N -1 0 338.157 3.605 20 0 EHADRM CCOC(=O)c1ccc(Nc2ccc(C(=O)[O-])cc2OC)c(C)c1 ZINC001174676845 1132434000 /nfs/dbraw/zinc/43/40/00/1132434000.db2.gz JDNLALJAADYUKM-UHFFFAOYSA-N -1 0 329.352 3.622 20 0 EHADRM COc1cc(Nc2cc(C)cnc2Br)ccc1C(=O)[O-] ZINC001174681759 1132434833 /nfs/dbraw/zinc/43/48/33/1132434833.db2.gz ZPXWMLSGYCKQPB-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM CCOC(=O)CCc1cccc(Nc2ccc(C(=O)[O-])cc2OC)c1 ZINC001174679645 1132434984 /nfs/dbraw/zinc/43/49/84/1132434984.db2.gz DKZNYGITNGSFBG-UHFFFAOYSA-N -1 0 343.379 3.633 20 0 EHADRM COc1cc(Nc2ccc(Cl)c(NC(C)=O)c2)ccc1C(=O)[O-] ZINC001174685249 1132435816 /nfs/dbraw/zinc/43/58/16/1132435816.db2.gz NGIRKPSNGZQBGO-UHFFFAOYSA-N -1 0 334.759 3.749 20 0 EHADRM CCOC(=O)c1cnc2cccc(Nc3ccc(C(=O)[O-])s3)c2c1 ZINC001174806531 1132478426 /nfs/dbraw/zinc/47/84/26/1132478426.db2.gz ATRUJYRZYBJVJC-UHFFFAOYSA-N -1 0 342.376 3.915 20 0 EHADRM COC(=O)c1cc(Cl)sc1Nc1ccc(CC(=O)[O-])cc1 ZINC001174951458 1132516427 /nfs/dbraw/zinc/51/64/27/1132516427.db2.gz BSEJYEZUIZLMBF-UHFFFAOYSA-N -1 0 325.773 3.559 20 0 EHADRM O=C([O-])Cc1ccc(Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 ZINC001174953830 1132517427 /nfs/dbraw/zinc/51/74/27/1132517427.db2.gz PQBKNKHNSJGCHU-UHFFFAOYSA-N -1 0 338.407 3.683 20 0 EHADRM COc1c(Br)cccc1Nc1ccc(CC(=O)[O-])cc1 ZINC001174954714 1132517573 /nfs/dbraw/zinc/51/75/73/1132517573.db2.gz SCYNTOLRNVOWCM-UHFFFAOYSA-N -1 0 336.185 3.828 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000391827450 1132519805 /nfs/dbraw/zinc/51/98/05/1132519805.db2.gz CRRUADCFMNTCJX-ZLKJLUDKSA-N -1 0 341.329 3.550 20 0 EHADRM Cc1cc(S(=O)(=O)[O-])c(Nc2cccc(N(C)C)c2)cc1Cl ZINC001174963112 1132520834 /nfs/dbraw/zinc/52/08/34/1132520834.db2.gz CDPGTZWWPDFXSC-UHFFFAOYSA-N -1 0 340.832 3.705 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1cnc(Br)c(Cl)n1 ZINC001174981065 1132533933 /nfs/dbraw/zinc/53/39/33/1132533933.db2.gz CJCZZPKYHUJWNJ-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM O=S(=O)([O-])c1cccc(Nc2ccc(F)c(C(F)(F)F)c2)c1 ZINC001175075101 1132560065 /nfs/dbraw/zinc/56/00/65/1132560065.db2.gz NFGFHNAJSCENOX-UHFFFAOYSA-N -1 0 335.278 3.835 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC001175077387 1132560984 /nfs/dbraw/zinc/56/09/84/1132560984.db2.gz KAAFSASNVJCROT-UHFFFAOYSA-N -1 0 335.278 3.835 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(O)c(Br)c2)cc1F ZINC001175157599 1132569934 /nfs/dbraw/zinc/56/99/34/1132569934.db2.gz KFQKWRNEMRCEGR-UHFFFAOYSA-N -1 0 326.121 3.736 20 0 EHADRM COc1ccccc1-n1nc(C)cc1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175158381 1132570904 /nfs/dbraw/zinc/57/09/04/1132570904.db2.gz NDQZIFVESUUBCO-UHFFFAOYSA-N -1 0 341.342 3.770 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(O)cc2Br)cc1F ZINC001175161487 1132577597 /nfs/dbraw/zinc/57/75/97/1132577597.db2.gz WNMXLIXECLDYLA-UHFFFAOYSA-N -1 0 326.121 3.736 20 0 EHADRM CC(=O)c1ccccc1Nc1cc(S(=O)(=O)[O-])ccc1Cl ZINC001175180331 1132590393 /nfs/dbraw/zinc/59/03/93/1132590393.db2.gz MROPCEBASPOPGM-UHFFFAOYSA-N -1 0 325.773 3.533 20 0 EHADRM Cc1c(Br)cncc1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175217933 1132597816 /nfs/dbraw/zinc/59/78/16/1132597816.db2.gz YECVVTPPYIMVHG-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM O=C([O-])c1cc(Nc2ccnn2Cc2cccc(F)c2)ccc1F ZINC001175217927 1132597822 /nfs/dbraw/zinc/59/78/22/1132597822.db2.gz XUWJAEDZIFXATL-UHFFFAOYSA-N -1 0 329.306 3.651 20 0 EHADRM COC(=O)c1sc2ncccc2c1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175215633 1132597840 /nfs/dbraw/zinc/59/78/40/1132597840.db2.gz PCYCBDORBPWQID-UHFFFAOYSA-N -1 0 346.339 3.664 20 0 EHADRM Cc1cnn(Cc2ccccc2F)c1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175219645 1132598108 /nfs/dbraw/zinc/59/81/08/1132598108.db2.gz BZQKEVPATOVYMN-UHFFFAOYSA-N -1 0 343.333 3.960 20 0 EHADRM COc1ccc(Cn2nccc2Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001175216108 1132598252 /nfs/dbraw/zinc/59/82/52/1132598252.db2.gz YNGKCXSNTKKGCL-UHFFFAOYSA-N -1 0 341.342 3.521 20 0 EHADRM CCc1c(C)sc(Nc2ccc(C(=O)[O-])c(Cl)c2)c1C(N)=O ZINC001175313960 1132635252 /nfs/dbraw/zinc/63/52/52/1132635252.db2.gz OJFAXLNGQNFWGJ-UHFFFAOYSA-N -1 0 338.816 3.813 20 0 EHADRM O=C([O-])c1cccc(Nc2ccc3ncc(Br)n3c2)c1 ZINC001175327537 1132638856 /nfs/dbraw/zinc/63/88/56/1132638856.db2.gz LWPNTVHICJBXJC-UHFFFAOYSA-N -1 0 332.157 3.539 20 0 EHADRM NC(=O)c1cc(-c2ccccc2)sc1Nc1cccc(C(=O)[O-])c1 ZINC001175327675 1132639391 /nfs/dbraw/zinc/63/93/91/1132639391.db2.gz UFPZRKKNLCUXAI-UHFFFAOYSA-N -1 0 338.388 3.956 20 0 EHADRM Cc1ccc2[nH]c(C(=O)Nc3nccc(Br)c3[O-])cc2c1 ZINC001169374661 1132736020 /nfs/dbraw/zinc/73/60/20/1132736020.db2.gz VZIJYAOTEDATRD-UHFFFAOYSA-N -1 0 346.184 3.592 20 0 EHADRM O=C([O-])c1cncc(Nc2ccc3cnn([C@@H]4CCCCO4)c3c2)c1 ZINC001175841752 1132772416 /nfs/dbraw/zinc/77/24/16/1132772416.db2.gz VSMZMHWFQNCREW-KRWDZBQOSA-N -1 0 338.367 3.572 20 0 EHADRM O=C([O-])c1cncc(Nc2ccc(C(=O)Nc3ccccc3)cc2)c1 ZINC001175841716 1132772607 /nfs/dbraw/zinc/77/26/07/1132772607.db2.gz SXDUPMASGWMQGE-UHFFFAOYSA-N -1 0 333.347 3.776 20 0 EHADRM O=C([O-])c1cncc(Nc2cccc(OC(F)(F)C(F)F)c2)c1 ZINC001175841979 1132772938 /nfs/dbraw/zinc/77/29/38/1132772938.db2.gz IOCBCRDCOVDEQI-UHFFFAOYSA-N -1 0 330.237 3.760 20 0 EHADRM Cc1cnccc1CCC(=O)Nc1c(Cl)ccc([O-])c1Cl ZINC001175868771 1132789249 /nfs/dbraw/zinc/78/92/49/1132789249.db2.gz IHULCRTWEIMXTG-UHFFFAOYSA-N -1 0 325.195 3.974 20 0 EHADRM CCN(CC(=O)[O-])C(=O)/C=C\c1cc(C)n(C2CCCCC2)c1C ZINC000766983286 1132926656 /nfs/dbraw/zinc/92/66/56/1132926656.db2.gz LMDBTIUPLHRTPX-KHPPLWFESA-N -1 0 332.444 3.556 20 0 EHADRM COC(=O)c1nc2ccccc2cc1Nc1csc(C(=O)[O-])c1 ZINC001176437302 1132928713 /nfs/dbraw/zinc/92/87/13/1132928713.db2.gz RNNFJSUBHUEUQG-UHFFFAOYSA-N -1 0 328.349 3.525 20 0 EHADRM O=C([O-])c1cc(Nc2cnc3ccc(Br)cn23)cs1 ZINC001176437514 1132928830 /nfs/dbraw/zinc/92/88/30/1132928830.db2.gz XCFXCQLYPLDWTO-UHFFFAOYSA-N -1 0 338.186 3.600 20 0 EHADRM O=C([O-])c1cc(Nc2cc(Cl)ccc2N2CCOCC2)cs1 ZINC001176439043 1132929314 /nfs/dbraw/zinc/92/93/14/1132929314.db2.gz HTUMPNMFAKNQSL-UHFFFAOYSA-N -1 0 338.816 3.680 20 0 EHADRM CP(C)(=O)c1ccccc1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176588512 1132961492 /nfs/dbraw/zinc/96/14/92/1132961492.db2.gz MGWOKLAIUIUQRT-UHFFFAOYSA-N -1 0 329.336 3.794 20 0 EHADRM COc1ccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c(OC)c1F ZINC001176590839 1132962288 /nfs/dbraw/zinc/96/22/88/1132962288.db2.gz SVOMZOJLDCBYEQ-UHFFFAOYSA-N -1 0 331.343 3.703 20 0 EHADRM COC(=O)c1ccc(C)c(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1C ZINC001176589650 1132962381 /nfs/dbraw/zinc/96/23/81/1132962381.db2.gz WVKPHFKHQQKRDK-UHFFFAOYSA-N -1 0 339.391 3.950 20 0 EHADRM COc1ccc(C(C)=O)c(Nc2ccc(C=CC(=O)[O-])cc2)c1OC ZINC001176595441 1132964130 /nfs/dbraw/zinc/96/41/30/1132964130.db2.gz OZCSXIJMABWZKM-IZZDOVSWSA-N -1 0 341.363 3.748 20 0 EHADRM CC(C)(C)c1ncc(/C=C\C(=O)Nc2ccc(C(=O)[O-])c(F)c2)s1 ZINC000767207069 1132967424 /nfs/dbraw/zinc/96/74/24/1132967424.db2.gz YCIAMYXQFHWHMN-ALCCZGGFSA-N -1 0 348.399 3.930 20 0 EHADRM COC(=O)c1cnc2ccc(Nc3ccc(/C=C/C(=O)[O-])cc3)cc2c1 ZINC001176597085 1132970000 /nfs/dbraw/zinc/97/00/00/1132970000.db2.gz LZZYEMOBGKHBJP-RUDMXATFSA-N -1 0 348.358 3.863 20 0 EHADRM CC(C)Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(N)c1 ZINC001176644715 1132976665 /nfs/dbraw/zinc/97/66/65/1132976665.db2.gz CWSWIADYUMHBFQ-UHFFFAOYSA-N -1 0 340.832 3.510 20 0 EHADRM O=C([O-])c1ccc(Nc2c(F)cccc2OC[C@@H]2CCCO2)cc1 ZINC001176713540 1132995037 /nfs/dbraw/zinc/99/50/37/1132995037.db2.gz JYIHTIFBAOGIJI-AWEZNQCLSA-N -1 0 331.343 3.825 20 0 EHADRM CCOC(=O)c1cnc2c(cccc2Nc2ccc(C(=O)[O-])cc2)c1 ZINC001176714908 1132995799 /nfs/dbraw/zinc/99/57/99/1132995799.db2.gz HJMBXGBYXKMJFN-UHFFFAOYSA-N -1 0 336.347 3.853 20 0 EHADRM CC1(Nc2nc(CC(=O)[N-]Oc3ccccc3F)cs2)CCCC1 ZINC001177113990 1133033028 /nfs/dbraw/zinc/03/30/28/1133033028.db2.gz HDKROYQZDOZOAB-UHFFFAOYSA-N -1 0 349.431 3.680 20 0 EHADRM CC(=O)c1cc(F)c([O-])c(NC(=O)CCCOc2cccc(C)c2)c1 ZINC001178428692 1133168391 /nfs/dbraw/zinc/16/83/91/1133168391.db2.gz LMELJTKJWSNUEU-UHFFFAOYSA-N -1 0 345.370 3.840 20 0 EHADRM Cc1ccc(CCC(=O)Nc2cc(=O)[n-]c(Cl)n2)c2ccccc12 ZINC001178594257 1133180543 /nfs/dbraw/zinc/18/05/43/1133180543.db2.gz PNHPQWLUVXLXQJ-UHFFFAOYSA-N -1 0 341.798 3.869 20 0 EHADRM CC(C)c1cc([N-]S(=O)(=O)/C=C\c2cccc(Cl)c2)no1 ZINC000768863706 1133200137 /nfs/dbraw/zinc/20/01/37/1133200137.db2.gz YDQULJKJHKVMNC-SREVYHEPSA-N -1 0 326.805 3.864 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)C(F)(F)F ZINC000769098913 1133222909 /nfs/dbraw/zinc/22/29/09/1133222909.db2.gz KBUUSWYTLZRRMG-CPCISQLKSA-N -1 0 332.347 3.823 20 0 EHADRM C[C@H](Oc1ccccc1F)C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000769238856 1133247728 /nfs/dbraw/zinc/24/77/28/1133247728.db2.gz AZMGGUKUKFEGQB-VIFPVBQESA-N -1 0 332.356 3.662 20 0 EHADRM C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000770454246 1133432123 /nfs/dbraw/zinc/43/21/23/1133432123.db2.gz ZIOSMRCLRQYXFQ-SSDOTTSWSA-N -1 0 349.214 3.551 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)c(O)c1 ZINC000770634002 1133451321 /nfs/dbraw/zinc/45/13/21/1133451321.db2.gz HCWUGWSHOPZMQE-UHFFFAOYSA-N -1 0 347.436 3.823 20 0 EHADRM [O-]c1cc(Cl)ccc1-c1nc(Cc2ccc3c[nH]nc3c2)no1 ZINC000771495454 1133565027 /nfs/dbraw/zinc/56/50/27/1133565027.db2.gz IMXPRVQRIPNZJF-UHFFFAOYSA-N -1 0 326.743 3.563 20 0 EHADRM COc1ccc(C(C)=O)c(NC(=O)Cc2ccc([S-])cc2)c1C ZINC001183187702 1133776499 /nfs/dbraw/zinc/77/64/99/1133776499.db2.gz CMYWENJXSZGDSK-UHFFFAOYSA-N -1 0 329.421 3.676 20 0 EHADRM O=C(Cc1ccc([S-])cc1)Nc1cccc(C(F)(F)F)c1O ZINC001183188990 1133776912 /nfs/dbraw/zinc/77/69/12/1133776912.db2.gz OODHEBXGJJOJIC-UHFFFAOYSA-N -1 0 327.327 3.881 20 0 EHADRM O=C(Cc1ccc([S-])cc1)NCc1ccccc1OC(F)(F)F ZINC001183184142 1133777105 /nfs/dbraw/zinc/77/71/05/1133777105.db2.gz IQICCHLZAGFZKO-UHFFFAOYSA-N -1 0 341.354 3.733 20 0 EHADRM Cc1ccccc1-c1cc(NC(=O)Cc2ccc([S-])cc2)n(C)n1 ZINC001183186307 1133777160 /nfs/dbraw/zinc/77/71/60/1133777160.db2.gz NFCDDJJXWPAGOE-UHFFFAOYSA-N -1 0 337.448 3.865 20 0 EHADRM C[C@@H](CCNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)CC(C)(C)C ZINC000786005242 1133790675 /nfs/dbraw/zinc/79/06/75/1133790675.db2.gz VOXZCWNNWYADFQ-NSHDSACASA-N -1 0 347.484 3.816 20 0 EHADRM O=C(Nc1cc(Br)ccc1O)C1(c2ccc(O)cc2)CC1 ZINC001183342923 1133796591 /nfs/dbraw/zinc/79/65/91/1133796591.db2.gz YVQOTZZKQXSONN-UHFFFAOYSA-N -1 0 348.196 3.531 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)CC2CCC2)c2ccccc21 ZINC000786469840 1133850653 /nfs/dbraw/zinc/85/06/53/1133850653.db2.gz MLDDSGYKQJTCQY-YJBOKZPZSA-N -1 0 349.496 3.550 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]C(=O)CC[C@H](C)c1ccccc1 ZINC000786656453 1133881992 /nfs/dbraw/zinc/88/19/92/1133881992.db2.gz UYIFDEKZHLAHFE-HNNXBMFYSA-N -1 0 345.464 3.638 20 0 EHADRM C[C@H]1CN(C(=O)CCC(=O)C=C([O-])c2ccc(Cl)cc2)C2(CC2)C1 ZINC001184120788 1133900753 /nfs/dbraw/zinc/90/07/53/1133900753.db2.gz VPDHQCYPHSGJAL-CYBMUJFWSA-N -1 0 347.842 3.663 20 0 EHADRM CC[C@H]([N-]S(=O)(=O)/C=C\c1ccc(Cl)cc1)C(F)(F)F ZINC000786890733 1133917072 /nfs/dbraw/zinc/91/70/72/1133917072.db2.gz MHFPKGQGCMMONP-TVRMLOFPSA-N -1 0 327.755 3.571 20 0 EHADRM Cc1cccc2c1[C@H](NC(=O)C=C([O-])c1ccccc1Cl)CCO2 ZINC001185432681 1134085240 /nfs/dbraw/zinc/08/52/40/1134085240.db2.gz ABAHRNHRKHYMHR-OAHLLOKOSA-N -1 0 343.810 3.861 20 0 EHADRM CSc1cc([N-]S(=O)(=O)c2cc3ccccc3s2)ccn1 ZINC001185432510 1134085464 /nfs/dbraw/zinc/08/54/64/1134085464.db2.gz FECDORNCQYSFRN-UHFFFAOYSA-N -1 0 336.463 3.819 20 0 EHADRM O=C(C=C([O-])c1ccccc1Cl)NC[C@@H]1CCc2ccccc21 ZINC001185444558 1134086965 /nfs/dbraw/zinc/08/69/65/1134086965.db2.gz YVOSJFXUDGAONP-AWEZNQCLSA-N -1 0 327.811 3.759 20 0 EHADRM O=S(=O)([N-]c1c(O)cc(F)cc1F)c1cc2ccccc2s1 ZINC001185454619 1134090269 /nfs/dbraw/zinc/09/02/69/1134090269.db2.gz QNVUKUSBDVUSHS-UHFFFAOYSA-N -1 0 341.360 3.686 20 0 EHADRM Cc1cc(F)c([N-]S(=O)(=O)c2cc3ccccc3s2)cc1O ZINC001185462661 1134092444 /nfs/dbraw/zinc/09/24/44/1134092444.db2.gz KBOYBYYGCZBOKG-UHFFFAOYSA-N -1 0 337.397 3.855 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccnc(C(C)(C)C)n2)ccc1Cl ZINC001185500114 1134099710 /nfs/dbraw/zinc/09/97/10/1134099710.db2.gz XHPVTXUDHVTNMG-UHFFFAOYSA-N -1 0 339.848 3.537 20 0 EHADRM Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1cccc(C(F)F)c1 ZINC000788490498 1134132267 /nfs/dbraw/zinc/13/22/67/1134132267.db2.gz IEBWWYFIDBFZFA-UHFFFAOYSA-N -1 0 332.759 3.782 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccccc1-c1cnco1 ZINC001185828454 1134138310 /nfs/dbraw/zinc/13/83/10/1134138310.db2.gz GFXBCFGCAFXQHU-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM CC(C)(C(=O)Nc1ccc2[n-]c(=S)sc2c1)C1CCOCC1 ZINC001185994751 1134154237 /nfs/dbraw/zinc/15/42/37/1134154237.db2.gz PDVIDMIUGHORRF-UHFFFAOYSA-N -1 0 336.482 3.976 20 0 EHADRM N=C(Cc1cccc(C(F)(F)F)c1)NC(=O)c1cccc([S-])c1 ZINC001186162609 1134172304 /nfs/dbraw/zinc/17/23/04/1134172304.db2.gz CYVXNMQVQRKRGA-UHFFFAOYSA-N -1 0 338.354 3.944 20 0 EHADRM CCOC(=O)c1c(NC(=O)c2cccc([S-])c2)sc2c1CCC2 ZINC001186130685 1134173115 /nfs/dbraw/zinc/17/31/15/1134173115.db2.gz WFHUVVVUXAFFOO-UHFFFAOYSA-N -1 0 347.461 3.955 20 0 EHADRM O=C(c1cccc([S-])c1)N1CCN(Cc2ccccc2Cl)CC1 ZINC001186148259 1134174718 /nfs/dbraw/zinc/17/47/18/1134174718.db2.gz BLYKVHMLNYLLHW-UHFFFAOYSA-N -1 0 346.883 3.587 20 0 EHADRM Nc1cc(F)c(C(F)(F)F)cc1NC(=O)c1cccc([S-])c1 ZINC001186152553 1134175986 /nfs/dbraw/zinc/17/59/86/1134175986.db2.gz NGHUOZWIWCDTDB-UHFFFAOYSA-N -1 0 330.306 3.968 20 0 EHADRM CC(C)(Oc1ccc([C@H]2CCCc3ccccc32)cc1)C(=O)[N-]C#N ZINC001186398415 1134208060 /nfs/dbraw/zinc/20/80/60/1134208060.db2.gz WDJMADGDIUEPSG-LJQANCHMSA-N -1 0 334.419 3.909 20 0 EHADRM CC(C)(NC(=O)c1cc(F)c(F)c([O-])c1F)c1cc(Cl)ccn1 ZINC001186802215 1134254047 /nfs/dbraw/zinc/25/40/47/1134254047.db2.gz SNNWWXVTTGTSPK-UHFFFAOYSA-N -1 0 344.720 3.523 20 0 EHADRM CC1(C)CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000789489664 1134282712 /nfs/dbraw/zinc/28/27/12/1134282712.db2.gz WEDIWOWWVJRDMY-MRXNPFEDSA-N -1 0 345.464 3.861 20 0 EHADRM Cc1cc(F)nc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c1 ZINC001187044019 1134287220 /nfs/dbraw/zinc/28/72/20/1134287220.db2.gz SRMFVKQUALRIRS-UHFFFAOYSA-N -1 0 349.214 3.778 20 0 EHADRM O=C(Nc1ccccc1[S-])c1ccc(OC[C@H]2CCCO2)cc1 ZINC001187031569 1134292695 /nfs/dbraw/zinc/29/26/95/1134292695.db2.gz OEZRTZVNNWPUFE-OAHLLOKOSA-N -1 0 329.421 3.785 20 0 EHADRM O=S(=O)([N-]c1cncc(C2CC2)c1)c1cc2c(s1)CCCC2 ZINC001187185469 1134306938 /nfs/dbraw/zinc/30/69/38/1134306938.db2.gz YSLRDGYHBYDWOI-UHFFFAOYSA-N -1 0 334.466 3.700 20 0 EHADRM CCOc1ccccc1[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187206654 1134313878 /nfs/dbraw/zinc/31/38/78/1134313878.db2.gz GTUQCHHTQFVHBK-UHFFFAOYSA-N -1 0 337.466 3.826 20 0 EHADRM Cc1noc2ccc([N-]S(=O)(=O)c3cc4c(s3)CCCC4)cc12 ZINC001187209344 1134315235 /nfs/dbraw/zinc/31/52/35/1134315235.db2.gz KNXQKOXQCVPMIK-UHFFFAOYSA-N -1 0 348.449 3.877 20 0 EHADRM Cc1oncc1S(=O)(=O)[N-]c1ccccc1Oc1ccccc1 ZINC001187368385 1134327973 /nfs/dbraw/zinc/32/79/73/1134327973.db2.gz FIUONHCKZDQQFA-UHFFFAOYSA-N -1 0 330.365 3.576 20 0 EHADRM Cc1oncc1S(=O)(=O)[N-]c1ccc2oc3ccccc3c2c1 ZINC001187369339 1134328053 /nfs/dbraw/zinc/32/80/53/1134328053.db2.gz RKXQLFBPIBGTBA-UHFFFAOYSA-N -1 0 328.349 3.683 20 0 EHADRM Cc1oncc1S(=O)(=O)[N-]c1ccc(-c2ccccc2)cc1F ZINC001187383822 1134334493 /nfs/dbraw/zinc/33/44/93/1134334493.db2.gz YTECPOAPOFLZIF-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM CC(C)n1ncc2cc(CNc3cccc(C(=O)[O-])c3)c(Cl)nc21 ZINC000789898250 1134346901 /nfs/dbraw/zinc/34/69/01/1134346901.db2.gz HKBGKFIRKAKLOM-UHFFFAOYSA-N -1 0 344.802 3.976 20 0 EHADRM COc1ccccc1/C=C\CNc1cc(C(=O)[O-])cc(OC)c1OC ZINC000789901863 1134347909 /nfs/dbraw/zinc/34/79/09/1134347909.db2.gz FSNDWMMMJJPSCS-VURMDHGXSA-N -1 0 343.379 3.536 20 0 EHADRM O=C([O-])c1cc(NC/C=C\c2ccc(F)cc2F)cc2c1OCCO2 ZINC000789904589 1134347983 /nfs/dbraw/zinc/34/79/83/1134347983.db2.gz YPJWWWLOVNWHKQ-UPHRSURJSA-N -1 0 347.317 3.560 20 0 EHADRM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1cccc2ocnc21 ZINC000790005298 1134357931 /nfs/dbraw/zinc/35/79/31/1134357931.db2.gz NPVYLONQDKAOCZ-UHFFFAOYSA-N -1 0 330.409 3.926 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccccc2)cc1Cl)c1c[nH]cn1 ZINC001187772307 1134376510 /nfs/dbraw/zinc/37/65/10/1134376510.db2.gz SBYSJJJYFFNOSG-UHFFFAOYSA-N -1 0 333.800 3.531 20 0 EHADRM CC1(C)c2ccccc2-c2ccc([N-]S(=O)(=O)c3c[nH]cn3)cc21 ZINC001187761359 1134381266 /nfs/dbraw/zinc/38/12/66/1134381266.db2.gz KXRNJUVLLUIOLA-UHFFFAOYSA-N -1 0 339.420 3.517 20 0 EHADRM C[S@](=O)c1ccccc1C(=O)Nc1c(Cl)ccc([O-])c1Cl ZINC001187850146 1134390036 /nfs/dbraw/zinc/39/00/36/1134390036.db2.gz FRWHWRMNOTVCRE-NRFANRHFSA-N -1 0 344.219 3.689 20 0 EHADRM CCC(CC)Oc1ccccc1[N-]S(=O)(=O)c1nccs1 ZINC001187898927 1134393831 /nfs/dbraw/zinc/39/38/31/1134393831.db2.gz BJNQZKCKRDNGQD-UHFFFAOYSA-N -1 0 326.443 3.511 20 0 EHADRM O=S(=O)([N-][C@@H](c1cccc2ccccc21)C(F)(F)F)C1CCC1 ZINC001188169649 1134436030 /nfs/dbraw/zinc/43/60/30/1134436030.db2.gz SHTKHRKSCXBXKD-HNNXBMFYSA-N -1 0 343.370 3.915 20 0 EHADRM O=C(NCc1ccco1)Nc1c(Cl)ccc(Br)c1[O-] ZINC001188177924 1134436815 /nfs/dbraw/zinc/43/68/15/1134436815.db2.gz XBUJAIPBTXYTNM-UHFFFAOYSA-N -1 0 345.580 3.723 20 0 EHADRM O=S(=O)(CC1CC1)[N-]c1cc(F)ccc1OC1CCCCC1 ZINC001188976374 1134522077 /nfs/dbraw/zinc/52/20/77/1134522077.db2.gz HAKACQSCDRUDTF-UHFFFAOYSA-N -1 0 327.421 3.689 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(C)C)nc2)c1 ZINC001189577728 1134602508 /nfs/dbraw/zinc/60/25/08/1134602508.db2.gz ULPNWICMUHUNNR-UHFFFAOYSA-N -1 0 340.832 3.668 20 0 EHADRM C[C@H]1CCCN(c2cc(C(=O)Nc3ccccc3[S-])ccn2)C1 ZINC001189629457 1134608461 /nfs/dbraw/zinc/60/84/61/1134608461.db2.gz HJPXNKMJYWNFMP-ZDUSSCGKSA-N -1 0 327.453 3.859 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)c(C)n1 ZINC001189947871 1134640790 /nfs/dbraw/zinc/64/07/90/1134640790.db2.gz GJEHOXRQNMXJJC-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM O=S(=O)(C=C([O-])c1cccc(Cl)c1Cl)c1ccc(F)cc1 ZINC001190121450 1134662290 /nfs/dbraw/zinc/66/22/90/1134662290.db2.gz YQNRIMUXXZXSEH-UHFFFAOYSA-N -1 0 347.194 3.789 20 0 EHADRM O=S(=O)([N-]c1cccc(-c2ccccc2)c1)c1ncc(F)cc1F ZINC001190173771 1134666983 /nfs/dbraw/zinc/66/69/83/1134666983.db2.gz RHHMPQHYXNRHQU-UHFFFAOYSA-N -1 0 346.358 3.828 20 0 EHADRM COc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cccs1 ZINC001190223662 1134668455 /nfs/dbraw/zinc/66/84/55/1134668455.db2.gz QSMMFBRHSRTWJQ-UHFFFAOYSA-N -1 0 337.344 3.576 20 0 EHADRM COc1cc(NC(=O)Nc2cccc3nsnc32)ccc1[S-] ZINC001190311731 1134678473 /nfs/dbraw/zinc/67/84/73/1134678473.db2.gz UYQPTVLZRSCQDH-UHFFFAOYSA-N -1 0 332.410 3.633 20 0 EHADRM CSc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190387572 1134689185 /nfs/dbraw/zinc/68/91/85/1134689185.db2.gz HUWKLGSNBWLAJR-UHFFFAOYSA-N -1 0 333.356 3.627 20 0 EHADRM O=S(=O)([N-]c1ccccc1-c1ccc(Cl)cc1)c1ncc[nH]1 ZINC001190728183 1134743671 /nfs/dbraw/zinc/74/36/71/1134743671.db2.gz HNZXKNCJCLDZGM-UHFFFAOYSA-N -1 0 333.800 3.531 20 0 EHADRM O=c1cc(-c2nc(-c3ccc4occc4c3)no2)[n-]n1-c1ccccc1 ZINC001212602110 1134753724 /nfs/dbraw/zinc/75/37/24/1134753724.db2.gz IOVNJKJUFMLYJB-UHFFFAOYSA-N -1 0 344.330 3.624 20 0 EHADRM O=S(=O)([N-]c1ccccc1Oc1ccccc1)c1ccncc1 ZINC001190886972 1134763670 /nfs/dbraw/zinc/76/36/70/1134763670.db2.gz HWXDQDILTHYNAQ-UHFFFAOYSA-N -1 0 326.377 3.675 20 0 EHADRM CCOC(=O)[C@H](Cc1ccc(F)cc1)Nc1cc(F)ccc1[S-] ZINC001170405218 1134770473 /nfs/dbraw/zinc/77/04/73/1134770473.db2.gz XKPYWSNUXDMRQK-HNNXBMFYSA-N -1 0 337.391 3.840 20 0 EHADRM COc1cc(C(=O)Nc2sccc2C(C)=O)cc(Cl)c1[O-] ZINC001191129668 1134801840 /nfs/dbraw/zinc/80/18/40/1134801840.db2.gz SGWSLXXILKPDMF-UHFFFAOYSA-N -1 0 325.773 3.571 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(C3CCC3)no2)c1 ZINC001191148790 1134802103 /nfs/dbraw/zinc/80/21/03/1134802103.db2.gz QJFNWJAAETVNLJ-UHFFFAOYSA-N -1 0 343.408 3.600 20 0 EHADRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cncc(C2CC2)c1 ZINC001191671433 1134897324 /nfs/dbraw/zinc/89/73/24/1134897324.db2.gz RVKWHMPCINIKKN-UHFFFAOYSA-N -1 0 346.452 3.892 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2cc(C(C)C)ccc2OC)cn1 ZINC001191662995 1134901662 /nfs/dbraw/zinc/90/16/62/1134901662.db2.gz YLQKMZQTMVQAFK-UHFFFAOYSA-N -1 0 334.441 3.577 20 0 EHADRM Cc1csc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2Cl)n1 ZINC001191721420 1134905422 /nfs/dbraw/zinc/90/54/22/1134905422.db2.gz BEYHSBCETAGVEZ-UHFFFAOYSA-N -1 0 337.253 3.868 20 0 EHADRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccccc1[C@@H](C)O ZINC001191701451 1134910099 /nfs/dbraw/zinc/91/00/99/1134910099.db2.gz JHWXVTWOHGNNCW-CYBMUJFWSA-N -1 0 349.452 3.673 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(C)ccc1OC ZINC001191779947 1134920641 /nfs/dbraw/zinc/92/06/41/1134920641.db2.gz KVAOXWWICQJPLL-UHFFFAOYSA-N -1 0 335.425 3.512 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccnc(Cl)c1C ZINC001191787538 1134922137 /nfs/dbraw/zinc/92/21/37/1134922137.db2.gz BQQKDAJGZROGGZ-UHFFFAOYSA-N -1 0 340.832 3.551 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(C(F)F)nc1 ZINC001191787490 1134922695 /nfs/dbraw/zinc/92/26/95/1134922695.db2.gz ANCAGOMCALFYFD-UHFFFAOYSA-N -1 0 342.367 3.527 20 0 EHADRM CCOc1cccc([N-]S(=O)(=O)c2cc(C)ccc2OCC)c1 ZINC001191828846 1134932448 /nfs/dbraw/zinc/93/24/48/1134932448.db2.gz SUHYGTYXKFVVIS-UHFFFAOYSA-N -1 0 335.425 3.593 20 0 EHADRM COC(=O)c1cc(-c2ccsc2C(=O)[O-])ccc1OC(F)F ZINC001205587069 1134983830 /nfs/dbraw/zinc/98/38/30/1134983830.db2.gz ZQMXUPSVJMDJCP-UHFFFAOYSA-N -1 0 328.292 3.501 20 0 EHADRM CCCCCC[C@@](C)(CC)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000793950858 1135007042 /nfs/dbraw/zinc/00/70/42/1135007042.db2.gz QMPOTRQTXKXTTC-GOSISDBHSA-N -1 0 345.447 3.693 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cncc(C(C)(C)C)c2)cnc1Cl ZINC001192533789 1135032580 /nfs/dbraw/zinc/03/25/80/1135032580.db2.gz IPSJCGCOTYVVBW-UHFFFAOYSA-N -1 0 339.848 3.537 20 0 EHADRM CCC(F)(F)C[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC001192601481 1135037103 /nfs/dbraw/zinc/03/71/03/1135037103.db2.gz KTHHORNGEJPMBU-UHFFFAOYSA-N -1 0 339.816 3.878 20 0 EHADRM O=C(Nc1ccc([S-])cc1)Nc1ccc(N2CCOCC2)c(F)c1 ZINC001192676673 1135044585 /nfs/dbraw/zinc/04/45/85/1135044585.db2.gz ZYBQIPDZRYHPFQ-UHFFFAOYSA-N -1 0 347.415 3.595 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC001192756183 1135055454 /nfs/dbraw/zinc/05/54/54/1135055454.db2.gz LBTFZWHVFQOEJT-UHFFFAOYSA-N -1 0 325.817 3.712 20 0 EHADRM O=C(N[C@H](c1ccccc1)c1ccncc1)c1ccc(F)c(F)c1[O-] ZINC001192811727 1135058442 /nfs/dbraw/zinc/05/84/42/1135058442.db2.gz SREOJMYBZCHBLF-QGZVFWFLSA-N -1 0 340.329 3.585 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C)c(OC)cc2C)c1 ZINC001192817195 1135058962 /nfs/dbraw/zinc/05/89/62/1135058962.db2.gz BTYXRHTYQZOWGH-UHFFFAOYSA-N -1 0 349.452 3.684 20 0 EHADRM Cc1cnn(-c2ccc(C)cc2)c1NC(=O)c1ccc([O-])c(F)c1F ZINC001192831219 1135059975 /nfs/dbraw/zinc/05/99/75/1135059975.db2.gz CRPFBTVHCWQKPW-UHFFFAOYSA-N -1 0 343.333 3.725 20 0 EHADRM O=S(=O)([N-]c1ccnc(-c2ccccc2)c1)c1cnccc1Cl ZINC001192855093 1135067115 /nfs/dbraw/zinc/06/71/15/1135067115.db2.gz YVQKSOODYWHOPY-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccccc2)nc1)c1cnccc1Cl ZINC001192855291 1135067160 /nfs/dbraw/zinc/06/71/60/1135067160.db2.gz FARAEMSKMBZNBU-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cnccc2Cl)c(C)cc1Cl ZINC001192890218 1135069067 /nfs/dbraw/zinc/06/90/67/1135069067.db2.gz ONPPZUPCLTXLLM-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM Cn1c(NC(=O)c2cc(Cl)nc(Cl)c2[O-])cc2ccccc21 ZINC001193083366 1135096738 /nfs/dbraw/zinc/09/67/38/1135096738.db2.gz SFSIJGYNSKUQMO-UHFFFAOYSA-N -1 0 336.178 3.838 20 0 EHADRM O=C(NCc1sccc1Cl)c1cc(Cl)nc(Cl)c1[O-] ZINC001193101125 1135101283 /nfs/dbraw/zinc/10/12/83/1135101283.db2.gz PWBHPLPPCDEGOJ-UHFFFAOYSA-N -1 0 337.615 3.739 20 0 EHADRM Cc1cc(S(=O)(=O)[O-])c(NC(=O)OC2CCCCC2)cc1Cl ZINC001193632166 1135162043 /nfs/dbraw/zinc/16/20/43/1135162043.db2.gz BOARCNVEVRHCGE-UHFFFAOYSA-N -1 0 347.820 3.776 20 0 EHADRM O=C(Nc1ccc2c(cccc2S(=O)(=O)[O-])c1)OC1CCCCC1 ZINC001193632502 1135162490 /nfs/dbraw/zinc/16/24/90/1135162490.db2.gz KLJBXIRWBFVUCX-UHFFFAOYSA-N -1 0 349.408 3.968 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2ccc(C)c3ccccc32)c(C)n1 ZINC001193834330 1135190890 /nfs/dbraw/zinc/19/08/90/1135190890.db2.gz WHKGGODMMFHKIG-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2noc(C(C)(C)C)n2)c2ccccc12 ZINC001193833982 1135191144 /nfs/dbraw/zinc/19/11/44/1135191144.db2.gz SBQHWPUHYXIKQF-UHFFFAOYSA-N -1 0 345.424 3.630 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2OCC3)c2ccccc12 ZINC001193864753 1135198580 /nfs/dbraw/zinc/19/85/80/1135198580.db2.gz SRASJKWYLHEGSY-UHFFFAOYSA-N -1 0 339.416 3.884 20 0 EHADRM Nc1ccccc1S(=O)(=O)[N-]c1ccccc1SC(F)(F)F ZINC001193924913 1135205388 /nfs/dbraw/zinc/20/53/88/1135205388.db2.gz XNJXQXRYAWRUHO-UHFFFAOYSA-N -1 0 348.371 3.682 20 0 EHADRM Cc1noc([N-]S(=O)(=O)c2ccc(-c3cccs3)cc2)c1C ZINC001194131373 1135230253 /nfs/dbraw/zinc/23/02/53/1135230253.db2.gz WEUAPICUMZZATD-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM COc1cc(C(=O)Nc2cc(Cl)c([O-])cc2F)cc(OC)c1C ZINC000805262081 1135254438 /nfs/dbraw/zinc/25/44/38/1135254438.db2.gz XAVDPZZTOHFHPX-UHFFFAOYSA-N -1 0 339.750 3.763 20 0 EHADRM CC(=O)Nc1cc(C(=O)Nc2cc(Cl)c([O-])cc2F)ccc1C ZINC000805262054 1135254496 /nfs/dbraw/zinc/25/44/96/1135254496.db2.gz WCPOETTURMPPQA-UHFFFAOYSA-N -1 0 336.750 3.704 20 0 EHADRM CSc1cc(F)ccc1[N-]C(=O)c1cc(-c2ccccn2)no1 ZINC001130290398 1135298786 /nfs/dbraw/zinc/29/87/86/1135298786.db2.gz LGATXSCVMUPFQJ-UHFFFAOYSA-N -1 0 329.356 3.850 20 0 EHADRM Cc1cccc(CS(=O)(=O)[N-]C(=O)CCCCC(C)(C)C)c1 ZINC000805924538 1135356257 /nfs/dbraw/zinc/35/62/57/1135356257.db2.gz ZUKSVACZUCJYMM-UHFFFAOYSA-N -1 0 325.474 3.548 20 0 EHADRM COc1cc(Cl)cnc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC001195119878 1135372739 /nfs/dbraw/zinc/37/27/39/1135372739.db2.gz CURAKDSRLXKLRG-UHFFFAOYSA-N -1 0 340.832 3.668 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cncc(OC(F)F)c2)c1 ZINC001195121051 1135373757 /nfs/dbraw/zinc/37/37/57/1135373757.db2.gz UFAQQCPOSSZELJ-UHFFFAOYSA-N -1 0 342.367 3.607 20 0 EHADRM CC(C)c1cccc(-c2ccc(C(=O)[N-]S(=O)(=O)C3(C)CC3)o2)c1 ZINC000806029280 1135375450 /nfs/dbraw/zinc/37/54/50/1135375450.db2.gz SNWPPDZNVUDBPV-UHFFFAOYSA-N -1 0 347.436 3.682 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2c(C)cccc2Cl)cc(Cl)n1 ZINC001195278815 1135404407 /nfs/dbraw/zinc/40/44/07/1135404407.db2.gz QGSZNWNHMKBYOT-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cc(-c2ccco2)no1 ZINC001195278146 1135404647 /nfs/dbraw/zinc/40/46/47/1135404647.db2.gz MQLDKCAVONODAT-UHFFFAOYSA-N -1 0 338.772 3.697 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)NC1(C(F)(F)F)CCCC1 ZINC001195327121 1135406158 /nfs/dbraw/zinc/40/61/58/1135406158.db2.gz WUVYWWXLIWXPDS-UHFFFAOYSA-N -1 0 341.782 3.802 20 0 EHADRM CC(C)c1cccc(NC(=O)c2c([O-])c(F)c(F)c(F)c2F)n1 ZINC001195289845 1135407170 /nfs/dbraw/zinc/40/71/70/1135407170.db2.gz BKBDUQODYSFLBZ-UHFFFAOYSA-N -1 0 328.265 3.719 20 0 EHADRM C[C@@H](NC(=O)c1c([O-])c(F)c(F)c(F)c1F)c1cc(F)cc(F)c1 ZINC001195310558 1135412049 /nfs/dbraw/zinc/41/20/49/1135412049.db2.gz AVXXYVNBZDOCJM-RXMQYKEDSA-N -1 0 349.230 3.718 20 0 EHADRM COc1cccc(C[C@@H]2CCCN2C(=O)c2cccc(Cl)c2[O-])c1 ZINC000775665829 1135443836 /nfs/dbraw/zinc/44/38/36/1135443836.db2.gz LGCCXPOCJPPACP-AWEZNQCLSA-N -1 0 345.826 3.902 20 0 EHADRM CCC(CC)Oc1ccccc1[N-]S(=O)(=O)c1ccc(O)cc1 ZINC001195808460 1135473330 /nfs/dbraw/zinc/47/33/30/1135473330.db2.gz YYSXNDQRMMXVQN-UHFFFAOYSA-N -1 0 335.425 3.760 20 0 EHADRM O=S(=O)([N-]c1ccccc1O)c1ccc2cc(Cl)ccc2c1 ZINC001196434488 1135556394 /nfs/dbraw/zinc/55/63/94/1135556394.db2.gz CPMXJRDKMVSKOS-UHFFFAOYSA-N -1 0 333.796 4.000 20 0 EHADRM CC[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(F)cc1)c1ccc(C)cc1 ZINC000121453083 1135584904 /nfs/dbraw/zinc/58/49/04/1135584904.db2.gz SGXYQNQXXMRGOJ-AWEZNQCLSA-N -1 0 349.427 3.523 20 0 EHADRM COc1ccc(F)c(S(=O)(=O)[N-]c2c(C)cc(Cl)cc2C)c1 ZINC001196764726 1135603743 /nfs/dbraw/zinc/60/37/43/1135603743.db2.gz PUBHPEPKQHYQBI-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM O=C(N[C@@H](c1ccccc1)C1CCOCC1)c1cccc(Cl)c1[O-] ZINC000775745752 1135620427 /nfs/dbraw/zinc/62/04/27/1135620427.db2.gz FDAKEKRABQYLDB-KRWDZBQOSA-N -1 0 345.826 3.943 20 0 EHADRM COc1cc(C)c(S(=O)(=O)Nc2cc(C)c(F)c(F)c2)c(C)c1 ZINC001196886567 1135621438 /nfs/dbraw/zinc/62/14/38/1135621438.db2.gz XBGLUZSFBPSTJH-UHFFFAOYSA-N -1 0 341.379 3.699 20 0 EHADRM C[C@@H]1c2ccc(Cl)n2CCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000808253307 1135637363 /nfs/dbraw/zinc/63/73/63/1135637363.db2.gz NLTQAQILBXKQOE-SECBINFHSA-N -1 0 347.827 3.788 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2nc3c(cccc3O)s2)cc1 ZINC001197069832 1135646869 /nfs/dbraw/zinc/64/68/69/1135646869.db2.gz PJJUECQWTPYYMO-UHFFFAOYSA-N -1 0 345.405 3.509 20 0 EHADRM C[C@@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC001197137531 1135648945 /nfs/dbraw/zinc/64/89/45/1135648945.db2.gz VHYYBVFHNADEAF-SECBINFHSA-N -1 0 336.363 3.711 20 0 EHADRM CC1(CNC(=S)Nc2ccc(C(=O)[O-])cc2)CCC(F)(F)CC1 ZINC001197139196 1135649706 /nfs/dbraw/zinc/64/97/06/1135649706.db2.gz FNJIBEDCUTXZQL-UHFFFAOYSA-N -1 0 342.411 3.887 20 0 EHADRM Cc1ccc(CCCNC(=S)Nc2ccc(C(=O)[O-])cc2)s1 ZINC001197120935 1135652098 /nfs/dbraw/zinc/65/20/98/1135652098.db2.gz KVHKKIATYRXHMP-UHFFFAOYSA-N -1 0 334.466 3.674 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2cccc3c2C(=O)CCC3)cc1 ZINC001197119894 1135652178 /nfs/dbraw/zinc/65/21/78/1135652178.db2.gz VQJSGXHQSFXBKC-UHFFFAOYSA-N -1 0 340.404 3.713 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)cc1 ZINC001197126709 1135652522 /nfs/dbraw/zinc/65/25/22/1135652522.db2.gz DAQJIULFTSAHRG-SWLSCSKDSA-N -1 0 348.374 3.506 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NCc2cc(Cl)ccc2F)cc1 ZINC001197127842 1135652872 /nfs/dbraw/zinc/65/28/72/1135652872.db2.gz CXSQBHTVLFMXRA-UHFFFAOYSA-N -1 0 338.791 3.664 20 0 EHADRM Cc1ccc(N2CCOC2=O)cc1NC(=O)c1cccc(Cl)c1[O-] ZINC000775763719 1135664563 /nfs/dbraw/zinc/66/45/63/1135664563.db2.gz PKMVSRNSEACVMF-UHFFFAOYSA-N -1 0 346.770 3.563 20 0 EHADRM C[C@@H]1CN(C(=O)c2cccc(Cl)c2[O-])C[C@@H](c2ccsc2)O1 ZINC000775772524 1135686959 /nfs/dbraw/zinc/68/69/59/1135686959.db2.gz FPBRTJNPSYNWSJ-YGRLFVJLSA-N -1 0 337.828 3.709 20 0 EHADRM Cc1noc(C)c1[N-]S(=O)(=O)Cc1cc(Cl)ccc1Cl ZINC001197504368 1135701374 /nfs/dbraw/zinc/70/13/74/1135701374.db2.gz GPYRRUSZHCYSAO-UHFFFAOYSA-N -1 0 335.212 3.540 20 0 EHADRM Cc1c(=O)[n-]n(-c2ccccc2)c1NC(=S)Nc1cccc(F)c1 ZINC001197670104 1135719057 /nfs/dbraw/zinc/71/90/57/1135719057.db2.gz AQFJVUAAXDRWFT-UHFFFAOYSA-N -1 0 342.399 3.834 20 0 EHADRM COc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)c1cc(C)ccn1 ZINC001198005442 1135760713 /nfs/dbraw/zinc/76/07/13/1135760713.db2.gz IPSFJQVILQWMNK-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CC[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(C)cc1)c1ccccc1 ZINC000809063261 1135770261 /nfs/dbraw/zinc/77/02/61/1135770261.db2.gz KTKKIDKJPYJWRQ-KRWDZBQOSA-N -1 0 345.464 3.525 20 0 EHADRM Cc1ccc2cccc([N-]S(=O)(=O)c3cccc(Cl)n3)c2c1 ZINC001198232502 1135789236 /nfs/dbraw/zinc/78/92/36/1135789236.db2.gz ADFXKCYKBXEJNM-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1cc2ccccc2cc1[N-]S(=O)(=O)c1cccc(Cl)n1 ZINC001198237620 1135790673 /nfs/dbraw/zinc/79/06/73/1135790673.db2.gz GZVRNSRAPMCKLL-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM O=S(=O)([N-]c1ccnc(F)c1)c1ccccc1Oc1ccccc1 ZINC001198444002 1135820485 /nfs/dbraw/zinc/82/04/85/1135820485.db2.gz WIZCKIDXHFAAKW-UHFFFAOYSA-N -1 0 344.367 3.814 20 0 EHADRM CCOC(=O)c1c(NC(=S)N[C@H]2[CH]CC=C2)sc2c1CCCC2 ZINC001199408665 1135904309 /nfs/dbraw/zinc/90/43/09/1135904309.db2.gz LFKSRVKZJQZORX-LLVKDONJSA-N -1 0 349.501 3.623 20 0 EHADRM O=C(Nc1ccccc1[S-])c1cc(C(F)(F)F)nn1CC1CC1 ZINC001199593600 1135913507 /nfs/dbraw/zinc/91/35/07/1135913507.db2.gz WKZAWRONFMEVCL-UHFFFAOYSA-N -1 0 341.358 3.853 20 0 EHADRM COCCSc1ccc([C@@H](C)N=c2nc(C(C)(C)C)o[n-]2)cc1 ZINC000543694303 1135946965 /nfs/dbraw/zinc/94/69/65/1135946965.db2.gz SOZZZIMAVLXMCG-GFCCVEGCSA-N -1 0 335.473 3.701 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001132179623 1135951163 /nfs/dbraw/zinc/95/11/63/1135951163.db2.gz UTXMMUHBGZVYFU-BMFZPTHFSA-N -1 0 327.811 3.921 20 0 EHADRM CN(C)C(=O)c1cccc(OC(=O)c2cc3cc(Cl)sc3[nH]2)c1 ZINC000810535638 1135968126 /nfs/dbraw/zinc/96/81/26/1135968126.db2.gz KOGDTYXCORJEBN-UHFFFAOYSA-N -1 0 348.811 3.804 20 0 EHADRM O=C(c1cccc(F)c1[O-])N1CCc2ccc(C(F)(F)F)cc2C1 ZINC001132332589 1135972982 /nfs/dbraw/zinc/97/29/82/1135972982.db2.gz GJKQISHQKIWLGZ-UHFFFAOYSA-N -1 0 339.288 3.749 20 0 EHADRM CCC(CC)CS(=O)(=O)[N-]C(=O)CCCc1ccccc1Cl ZINC000810581718 1135978441 /nfs/dbraw/zinc/97/84/41/1135978441.db2.gz WHUNRICTGJVAAE-UHFFFAOYSA-N -1 0 345.892 3.545 20 0 EHADRM O=c1cc(Nc2cncc(OCc3ccccc3)c2)nc(Cl)[n-]1 ZINC001201622402 1136048508 /nfs/dbraw/zinc/04/85/08/1136048508.db2.gz BRLOTOUXSRBCBS-UHFFFAOYSA-N -1 0 328.759 3.553 20 0 EHADRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1ccc(Cl)s1 ZINC001201733502 1136062180 /nfs/dbraw/zinc/06/21/80/1136062180.db2.gz TXIFCBFYQUCMIQ-UHFFFAOYSA-N -1 0 329.255 3.621 20 0 EHADRM Cc1c(C)c(C)c(S(=O)(=O)Nc2cc(F)ncc2F)c(C)c1C ZINC001201795606 1136063413 /nfs/dbraw/zinc/06/34/13/1136063413.db2.gz RVSGUWWZPZRPEY-UHFFFAOYSA-N -1 0 340.395 3.703 20 0 EHADRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cccc3c2OCO3)c(C)c1C ZINC001201789986 1136066695 /nfs/dbraw/zinc/06/66/95/1136066695.db2.gz SHAFQWSGASNPPI-UHFFFAOYSA-N -1 0 347.436 3.758 20 0 EHADRM O=C(Nc1ccccc1)Nc1ccc2c(cccc2S(=O)(=O)[O-])c1 ZINC001201955760 1136078382 /nfs/dbraw/zinc/07/83/82/1136078382.db2.gz JOYQRSOTCFIDML-UHFFFAOYSA-N -1 0 342.376 3.731 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccnc(Cl)c2C)c1 ZINC000811836246 1136143205 /nfs/dbraw/zinc/14/32/05/1136143205.db2.gz KRQXESXNMZDANS-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM CCn1ncc2ccc(NC(=O)c3cc(C(=O)[O-])ccc3Cl)cc21 ZINC000811817181 1136144832 /nfs/dbraw/zinc/14/48/32/1136144832.db2.gz IYTNKZTXAGCYFP-UHFFFAOYSA-N -1 0 343.770 3.660 20 0 EHADRM Cc1cc(C(C)(C)C(=O)[N-]OC/C=C/Cl)ccc1Br ZINC000812400162 1136201149 /nfs/dbraw/zinc/20/11/49/1136201149.db2.gz GKEGYHMRBJEAII-QPJJXVBHSA-N -1 0 346.652 3.835 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C23CC(C(F)(F)F)(C2)C3)c1 ZINC000812704811 1136235432 /nfs/dbraw/zinc/23/54/32/1136235432.db2.gz RWPHSROVCAAMTH-UHFFFAOYSA-N -1 0 327.302 3.656 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1F ZINC000109686408 1136328147 /nfs/dbraw/zinc/32/81/47/1136328147.db2.gz GKGORZDCHCERJN-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM O=C([N-]S(=O)(=O)c1cc2ccccc2o1)C1CCCCCCC1 ZINC000851246357 1136357395 /nfs/dbraw/zinc/35/73/95/1136357395.db2.gz AHTKRMJTRXZDRR-UHFFFAOYSA-N -1 0 335.425 3.598 20 0 EHADRM COC(=O)c1cc(NC(=O)c2c([O-])cccc2Cl)cc2[nH]ccc21 ZINC000813864557 1136368122 /nfs/dbraw/zinc/36/81/22/1136368122.db2.gz XUNAUUQQAURRHU-UHFFFAOYSA-N -1 0 344.754 3.566 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(Cl)s1 ZINC000814017265 1136386562 /nfs/dbraw/zinc/38/65/62/1136386562.db2.gz VTCKSKUXQMMSER-LBPRGKRZSA-N -1 0 343.857 3.612 20 0 EHADRM CCCC(C)(C)CC(=O)[N-]S(=O)(=O)[C@@H](CC)c1ccccc1 ZINC000814016230 1136386663 /nfs/dbraw/zinc/38/66/63/1136386663.db2.gz NBXJSPWMKTZRIJ-HNNXBMFYSA-N -1 0 325.474 3.800 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@@H](C)CC(C)C ZINC000814016639 1136386834 /nfs/dbraw/zinc/38/68/34/1136386834.db2.gz OASSPHMKCOQVAR-HOCLYGCPSA-N -1 0 325.474 3.656 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C(CC)(CC)CC ZINC000814015390 1136386845 /nfs/dbraw/zinc/38/68/45/1136386845.db2.gz WMTGNRBUGHBQIR-HNNXBMFYSA-N -1 0 325.474 3.800 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccccc1SC ZINC000814020027 1136386975 /nfs/dbraw/zinc/38/69/75/1136386975.db2.gz PQHHLAWMOKUSCS-INIZCTEOSA-N -1 0 349.477 3.619 20 0 EHADRM CC(C)[C@H](CNC(=O)c1ccc(/C=C/C(=O)[O-])o1)c1ccccc1 ZINC000851593747 1136395107 /nfs/dbraw/zinc/39/51/07/1136395107.db2.gz CJENDUVSXNDRGZ-SOGBHIHOSA-N -1 0 327.380 3.547 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N2CCCCC[C@H]2c2ccco2)o1 ZINC000851594055 1136395167 /nfs/dbraw/zinc/39/51/67/1136395167.db2.gz GPKCDNLOEBVHPS-GDAGCXPBSA-N -1 0 329.352 3.728 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N2CCC[C@@H](c3ccccc3)CC2)o1 ZINC000851597352 1136395350 /nfs/dbraw/zinc/39/53/50/1136395350.db2.gz XFIGTEZBHDQXNR-HGPCXVNDSA-N -1 0 339.391 3.787 20 0 EHADRM Cc1ccc([C@H](CNC(=O)c2ccccc2C(C)C)C(=O)[O-])cc1 ZINC000851599401 1136395363 /nfs/dbraw/zinc/39/53/63/1136395363.db2.gz OEDPSXCKYBJRNZ-SFHVURJKSA-N -1 0 325.408 3.717 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)c2cccc(SC(F)(F)F)c2)C1 ZINC000851606621 1136396133 /nfs/dbraw/zinc/39/61/33/1136396133.db2.gz RDKNVDUGIUZSRM-AWEZNQCLSA-N -1 0 347.358 3.625 20 0 EHADRM CC(=O)c1ccc(O)c(CCOC(=O)c2cc(F)ccc2Cl)c1 ZINC000814509454 1136463699 /nfs/dbraw/zinc/46/36/99/1136463699.db2.gz LVHORAHNPLJMTO-UHFFFAOYSA-N -1 0 336.746 3.787 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1cccc(SC(F)(F)F)c1)C1CCC1 ZINC000852961316 1136494148 /nfs/dbraw/zinc/49/41/48/1136494148.db2.gz KZMWZSWNDHNOIH-LBPRGKRZSA-N -1 0 347.358 3.529 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000776631980 1136494278 /nfs/dbraw/zinc/49/42/78/1136494278.db2.gz RRRVMIKRMFPICB-ZVHGMHCTSA-N -1 0 331.412 3.851 20 0 EHADRM CO[C@@H](C)c1nc(C2([N-]C(=O)C(F)(F)F)CCCCC2)cs1 ZINC000853000802 1136496673 /nfs/dbraw/zinc/49/66/73/1136496673.db2.gz HWAMRVJSVQCKPF-VIFPVBQESA-N -1 0 336.379 3.688 20 0 EHADRM Cc1ccc(C)c(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2F)c1 ZINC000776653571 1136523601 /nfs/dbraw/zinc/52/36/01/1136523601.db2.gz HXZZJFHXZUSPOH-MRXNPFEDSA-N -1 0 333.334 3.527 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)/C=C\SCc1ccco1 ZINC000776675631 1136531864 /nfs/dbraw/zinc/53/18/64/1136531864.db2.gz WHPZAWNKPBZXKG-YHWKNFMLSA-N -1 0 345.420 3.667 20 0 EHADRM O=C([N-]Oc1ccccc1)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000854537687 1136624975 /nfs/dbraw/zinc/62/49/75/1136624975.db2.gz YVYIIUOZQMTJIO-INIZCTEOSA-N -1 0 339.439 3.603 20 0 EHADRM Cc1ccc(N(CC(C)C)C(=O)c2ccc3oc(=O)nc-3[n-]2)cc1 ZINC000854883809 1136650344 /nfs/dbraw/zinc/65/03/44/1136650344.db2.gz KZMNHBJUYPYSHH-UHFFFAOYSA-N -1 0 325.368 3.540 20 0 EHADRM CN(C(=O)c1ccc2oc(=S)[n-]c2c1)C1CC(OC(C)(C)C)C1 ZINC000854966424 1136657734 /nfs/dbraw/zinc/65/77/34/1136657734.db2.gz LNPYLXUACGBXRV-UHFFFAOYSA-N -1 0 334.441 3.535 20 0 EHADRM O=C(CSc1n[n-]c(=S)s1)N[C@@H]1CCCC12CCCCC2 ZINC000855204389 1136677352 /nfs/dbraw/zinc/67/73/52/1136677352.db2.gz ZCJRFYCCERSNAX-SNVBAGLBSA-N -1 0 343.543 3.538 20 0 EHADRM Cc1cccc(C)c1CS(=O)(=O)[N-]C(=O)C1(C)CCCCCC1 ZINC000816336156 1136700952 /nfs/dbraw/zinc/70/09/52/1136700952.db2.gz RMQZEFVQGZZJTH-UHFFFAOYSA-N -1 0 337.485 3.610 20 0 EHADRM O=C(Nc1ccc2c(c1)[C@H](O)CCCC2)c1s[n-]c(=O)c1Cl ZINC000855546926 1136704221 /nfs/dbraw/zinc/70/42/21/1136704221.db2.gz QSLPXGGTKCQFOC-LLVKDONJSA-N -1 0 338.816 3.514 20 0 EHADRM C[C@@H]1N(C(=O)c2n[n-]c3ccccc3c2=O)c2ccccc2C1(C)C ZINC000855908126 1136740447 /nfs/dbraw/zinc/74/04/47/1136740447.db2.gz JDGWHLASTPWDBA-LBPRGKRZSA-N -1 0 333.391 3.662 20 0 EHADRM O=C([N-]Oc1ccccc1)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000816683851 1136748258 /nfs/dbraw/zinc/74/82/58/1136748258.db2.gz BPGDCNOHJWPCFA-ZIAGYGMSSA-N -1 0 337.297 3.799 20 0 EHADRM COc1ccc(F)cc1[C@H](C)NC(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000816890046 1136761606 /nfs/dbraw/zinc/76/16/06/1136761606.db2.gz WCGNKLIFKWHKFH-VIFPVBQESA-N -1 0 346.383 3.755 20 0 EHADRM CCCO[C@H]1CCCN(C(=O)c2ccc3oc(=S)[n-]c3c2)CC1 ZINC000816921934 1136764025 /nfs/dbraw/zinc/76/40/25/1136764025.db2.gz LSCGEDMOKYTMQL-ZDUSSCGKSA-N -1 0 334.441 3.538 20 0 EHADRM CCC[C@]1(COC)CCCN1C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000816974541 1136768789 /nfs/dbraw/zinc/76/87/89/1136768789.db2.gz GGPMUELNWADZNQ-QGZVFWFLSA-N -1 0 334.441 3.538 20 0 EHADRM CCCCC[C@H]1CCCCN1C(=O)CSc1n[n-]c(=S)s1 ZINC000856270633 1136771160 /nfs/dbraw/zinc/77/11/60/1136771160.db2.gz QTSPMFSLXAULGS-NSHDSACASA-N -1 0 345.559 3.880 20 0 EHADRM COc1ccc(CNC(=O)c2cc(Cl)c3ccccc3c2[O-])cn1 ZINC001135922008 1136808920 /nfs/dbraw/zinc/80/89/20/1136808920.db2.gz XYOQSCQJNZUCJE-UHFFFAOYSA-N -1 0 342.782 3.532 20 0 EHADRM C[C@@H](CC(=O)N1CCC([C@H](CC(=O)[O-])c2ccccc2)CC1)C1CC1 ZINC000856930134 1136825307 /nfs/dbraw/zinc/82/53/07/1136825307.db2.gz RTPSBQLZQBCZGS-HNAYVOBHSA-N -1 0 343.467 3.920 20 0 EHADRM C[C@H]1CCc2nc(C(=O)Nc3cc(Cl)c([O-])c(Cl)c3)cn2C1 ZINC000857947399 1136924929 /nfs/dbraw/zinc/92/49/29/1136924929.db2.gz QNJVNZFBKXFLTG-QMMMGPOBSA-N -1 0 340.210 3.730 20 0 EHADRM O=C([N-]OCc1ccc(F)cc1Br)C(F)=C1CCC1 ZINC000819506182 1136946316 /nfs/dbraw/zinc/94/63/16/1136946316.db2.gz RFGNHGYMLMVKCB-UHFFFAOYSA-N -1 0 332.144 3.544 20 0 EHADRM CCCCCC[C@H](C)NC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC000858267447 1136954010 /nfs/dbraw/zinc/95/40/10/1136954010.db2.gz IQBGULMYSBBZOA-NSHDSACASA-N -1 0 348.365 3.547 20 0 EHADRM O=c1cc(-c2nccs2)[n-]n1-c1ccc(Br)cc1F ZINC001245950175 1136958650 /nfs/dbraw/zinc/95/86/50/1136958650.db2.gz XLQBJXZCVPZACW-UHFFFAOYSA-N -1 0 340.177 3.603 20 0 EHADRM CC1(C)C[C@H](c2ccccc2)N(C(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC000819749215 1136960530 /nfs/dbraw/zinc/96/05/30/1136960530.db2.gz LXEDQJCQIIVCMX-QGZVFWFLSA-N -1 0 347.418 3.949 20 0 EHADRM C[C@H](N(C)C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])C1(C)CC1 ZINC000820700452 1137002134 /nfs/dbraw/zinc/00/21/34/1137002134.db2.gz HRSQXJGYVGOAKN-LBPRGKRZSA-N -1 0 327.380 3.725 20 0 EHADRM CCCCN(C(=O)Cc1cc(=O)n(CC(C)C)[n-]1)[C@@H]1CCC[C@H](C)C1 ZINC000820708836 1137002501 /nfs/dbraw/zinc/00/25/01/1137002501.db2.gz XMQXFSDLDSKZJW-FUHWJXTLSA-N -1 0 349.519 3.582 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])CC[C@@H]1C ZINC000821454796 1137028225 /nfs/dbraw/zinc/02/82/25/1137028225.db2.gz XXJBMUXGPUGEIH-STQMWFEESA-N -1 0 327.380 3.583 20 0 EHADRM O=C(Nc1ccc(Oc2ccncc2)cc1)c1nc[nH]c1C(F)(F)F ZINC001136459241 1137030966 /nfs/dbraw/zinc/03/09/66/1137030966.db2.gz MNCJIFGPBIOBGF-UHFFFAOYSA-N -1 0 348.284 3.868 20 0 EHADRM C[C@H](N(C)C(=O)c1cc(Br)cc(F)c1[O-])C(C)(C)C ZINC001136492036 1137036415 /nfs/dbraw/zinc/03/64/15/1137036415.db2.gz OMJRPBMZPNHJPE-QMMMGPOBSA-N -1 0 332.213 3.800 20 0 EHADRM CCCC[C@H](NC(=O)/C=C/c1ccc2cc(OC)ccc2c1)C(=O)[O-] ZINC000821748568 1137037080 /nfs/dbraw/zinc/03/70/80/1137037080.db2.gz SLXNOANAFIDKJP-DBEXCURXSA-N -1 0 341.407 3.621 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)cc1Cl ZINC000821853072 1137040280 /nfs/dbraw/zinc/04/02/80/1137040280.db2.gz JOPKXAXVUAXJEG-RUDMXATFSA-N -1 0 331.755 3.699 20 0 EHADRM CC[C@H]1[C@@H](C)CCN1C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000822072240 1137048767 /nfs/dbraw/zinc/04/87/67/1137048767.db2.gz GKPWXDXQUOTHPR-LRDDRELGSA-N -1 0 327.380 3.725 20 0 EHADRM CC[C@H](C(=O)[N-]OCc1cccnc1)c1ccc(Br)cc1 ZINC000860313080 1137054686 /nfs/dbraw/zinc/05/46/86/1137054686.db2.gz RUXNSCBGUOWTFP-HNNXBMFYSA-N -1 0 349.228 3.586 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(SC(F)F)cc1 ZINC000013255808 1137060597 /nfs/dbraw/zinc/06/05/97/1137060597.db2.gz CIAYBVIAUZOZHO-NWDGAFQWSA-N -1 0 327.352 3.607 20 0 EHADRM CN(C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])C1(C)CCCC1 ZINC000822521381 1137062232 /nfs/dbraw/zinc/06/22/32/1137062232.db2.gz MSSOHOKVEVKMHJ-UHFFFAOYSA-N -1 0 327.380 3.869 20 0 EHADRM Cc1cc(C)c(OCC(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)c(C)c1 ZINC000013401801 1137080647 /nfs/dbraw/zinc/08/06/47/1137080647.db2.gz ADOPNIMIPMXBHU-RMKNXTFCSA-N -1 0 339.391 3.727 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)c2cc3c(s2)CCCC3)cc1 ZINC000013401848 1137080928 /nfs/dbraw/zinc/08/09/28/1137080928.db2.gz IRJXNHSEMKNUQB-JXMROGBWSA-N -1 0 327.405 3.977 20 0 EHADRM Cc1ccc(C[C@@H]2CCCN2C(=O)c2cc(F)cc(F)c2[O-])cc1 ZINC001136764124 1137109528 /nfs/dbraw/zinc/10/95/28/1137109528.db2.gz PMDQMGASOINFBI-HNNXBMFYSA-N -1 0 331.362 3.826 20 0 EHADRM Nc1ccc(Br)cc1Nc1cc(F)c(F)c(C(=O)[O-])c1 ZINC001160278574 1137110219 /nfs/dbraw/zinc/11/02/19/1137110219.db2.gz RJVPREHCHPYKOK-UHFFFAOYSA-N -1 0 343.127 3.751 20 0 EHADRM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1cccc(Br)c1[O-] ZINC001136786266 1137116255 /nfs/dbraw/zinc/11/62/55/1137116255.db2.gz XEWGWCWQOGLBGX-SDDRHHMPSA-N -1 0 338.245 3.853 20 0 EHADRM FC(F)(F)c1ccccc1CCNc1ccccc1-c1nn[nH]n1 ZINC001171040215 1137121242 /nfs/dbraw/zinc/12/12/42/1137121242.db2.gz AJPXRSDBVXHGBT-UHFFFAOYSA-N -1 0 333.317 3.540 20 0 EHADRM Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(Cl)c([O-])c2)[C@H](C)CO1 ZINC001136831880 1137127294 /nfs/dbraw/zinc/12/72/94/1137127294.db2.gz VHRGEVOMIROFHY-ACJLOTCBSA-N -1 0 345.826 3.956 20 0 EHADRM C[C@@H]1[C@@H](c2cccc(F)c2)OCCN1C(=O)c1cccc(Cl)c1[O-] ZINC000844034990 1137194868 /nfs/dbraw/zinc/19/48/68/1137194868.db2.gz CTQJZUPJPOCGIJ-DIFFPNOSSA-N -1 0 349.789 3.787 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc([O-])c(Cl)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000173524443 1137196746 /nfs/dbraw/zinc/19/67/46/1137196746.db2.gz LXITYZROAPBYCZ-PIGZYNQJSA-N -1 0 349.789 3.787 20 0 EHADRM CC(C)(C)OC(=O)C(C)(C)NC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001171104816 1137198625 /nfs/dbraw/zinc/19/86/25/1137198625.db2.gz ZNXOQDMFEBQFCS-UHFFFAOYSA-N -1 0 348.226 3.549 20 0 EHADRM O=C([O-])C1CCC(CC(=O)Nc2ccc(N3CCCC3)c(F)c2)CC1 ZINC000844152186 1137199822 /nfs/dbraw/zinc/19/98/22/1137199822.db2.gz OUTSNTRLCQBVIP-UHFFFAOYSA-N -1 0 348.418 3.646 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)c1oc2ccccc2c1CSC)C(=O)[O-] ZINC000844157946 1137202516 /nfs/dbraw/zinc/20/25/16/1137202516.db2.gz MAPXZTOGXRVAPD-RISCZKNCSA-N -1 0 349.452 3.915 20 0 EHADRM Cc1cccc(COc2cccc(NC(=O)CCCC(=O)[O-])c2)c1 ZINC000844250799 1137204982 /nfs/dbraw/zinc/20/49/82/1137204982.db2.gz ZFNIBOAZZCKBHK-UHFFFAOYSA-N -1 0 327.380 3.767 20 0 EHADRM Cc1ccc(NC(=O)N2CCc3occc3[C@@H]2C(=O)[O-])c(Cl)c1C ZINC000864058775 1137213763 /nfs/dbraw/zinc/21/37/63/1137213763.db2.gz VLXRERLQLOGPLN-OAHLLOKOSA-N -1 0 348.786 3.766 20 0 EHADRM CC(C)Oc1ccc([C@@H](C)NC(=O)/C=C\c2cc(C(=O)[O-])co2)cc1 ZINC000864106517 1137215242 /nfs/dbraw/zinc/21/52/42/1137215242.db2.gz LZMYRTKRFBYSAF-LJTDUEICSA-N -1 0 343.379 3.656 20 0 EHADRM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000864119968 1137216012 /nfs/dbraw/zinc/21/60/12/1137216012.db2.gz RDZKRYHOIWYDCD-IPOQPSJVSA-N -1 0 339.391 3.534 20 0 EHADRM C[C@@H]1CCN(C(=O)/C=C/c2cc(C(=O)[O-])co2)[C@@H]1c1cccc(F)c1 ZINC000864130339 1137216541 /nfs/dbraw/zinc/21/65/41/1137216541.db2.gz UTTNTUSAUFFYHU-RMUSLGIISA-N -1 0 343.354 3.740 20 0 EHADRM Cc1ccc2occ(CC(=O)NCCCCCCCC(=O)[O-])c2c1 ZINC000864132161 1137216624 /nfs/dbraw/zinc/21/66/24/1137216624.db2.gz LPKYMYNYRNVQJT-UHFFFAOYSA-N -1 0 331.412 3.825 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)C2([C@H]3CCCCO3)CCC2)c1 ZINC000864149580 1137217163 /nfs/dbraw/zinc/21/71/63/1137217163.db2.gz TUXRYHDDCDFNNH-XJKSGUPXSA-N -1 0 331.412 3.553 20 0 EHADRM CC[C@H](c1ccccc1OC)N(C)C(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000864177166 1137217873 /nfs/dbraw/zinc/21/78/73/1137217873.db2.gz IETMEZLZTOAWMI-QGZVFWFLSA-N -1 0 341.407 3.925 20 0 EHADRM C/C(=C\c1cccc(Cl)c1)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC000864175129 1137217931 /nfs/dbraw/zinc/21/79/31/1137217931.db2.gz JCYYFABCZFJIBD-QXBOMZOXSA-N -1 0 347.842 3.845 20 0 EHADRM C/C(=C/c1ccccc1Cl)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000864174431 1137217958 /nfs/dbraw/zinc/21/79/58/1137217958.db2.gz FSZBLCQCGGQOES-BOGZGCSFSA-N -1 0 347.842 3.845 20 0 EHADRM CCCOc1ccc(NC(=O)c2ccc(C)c(C(=O)[O-])c2)cc1OC ZINC000864178815 1137218154 /nfs/dbraw/zinc/21/81/54/1137218154.db2.gz DYJZVOOCLFOGKL-UHFFFAOYSA-N -1 0 343.379 3.743 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@](C)(c3ccc(F)cc3)C2)cc1C(=O)[O-] ZINC000864180230 1137218188 /nfs/dbraw/zinc/21/81/88/1137218188.db2.gz NMBQVGHYTXUEFO-FQEVSTJZSA-N -1 0 341.382 3.636 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000864188047 1137218289 /nfs/dbraw/zinc/21/82/89/1137218289.db2.gz BZLPNNAYESZZOW-ZZLBYYGFSA-N -1 0 341.407 3.765 20 0 EHADRM CCc1ccc(N(CC2CC2)C(=O)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC000864187935 1137218416 /nfs/dbraw/zinc/21/84/16/1137218416.db2.gz DOOPMPSWBZVFFD-UHFFFAOYSA-N -1 0 327.380 3.905 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)CCc1cccc2ccccc21)C1CC1 ZINC000864200638 1137218938 /nfs/dbraw/zinc/21/89/38/1137218938.db2.gz BWCPZNDEDMBUQY-HXUWFJFHSA-N -1 0 325.408 3.532 20 0 EHADRM CCC(CC)(CNC(=O)c1ccc(C(=O)[O-])cc1F)C(F)(F)F ZINC000864202084 1137218964 /nfs/dbraw/zinc/21/89/64/1137218964.db2.gz MKFGRXRSFAWOCH-UHFFFAOYSA-N -1 0 335.297 3.622 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)N[C@@H]2C[C@H]3C[C@@]3(C(=O)[O-])C2)cc1 ZINC000864210455 1137219069 /nfs/dbraw/zinc/21/90/69/1137219069.db2.gz VUZNLWWBOJFMKJ-FVINJOMDSA-N -1 0 329.440 3.673 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCC(Cc2ccccc2Cl)CC1 ZINC000864216583 1137219075 /nfs/dbraw/zinc/21/90/75/1137219075.db2.gz ITBBAHPTRJRDCS-ZDUSSCGKSA-N -1 0 337.847 3.622 20 0 EHADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)CCCc1ccc3ccccc3c1)C2 ZINC000864210325 1137219210 /nfs/dbraw/zinc/21/92/10/1137219210.db2.gz KVOPYBNIZXDJTL-LQWHRVPQSA-N -1 0 337.419 3.532 20 0 EHADRM CC[C@@H](C)[C@H](C)C(=O)N1CCC(c2nc(C)c(C(=O)[O-])s2)CC1 ZINC000864225579 1137219213 /nfs/dbraw/zinc/21/92/13/1137219213.db2.gz WUAOZJNBMSLBHW-MNOVXSKESA-N -1 0 338.473 3.538 20 0 EHADRM CCC(CC)CC(=O)N1CCC(c2nc(C)c(C(=O)[O-])s2)CC1 ZINC000864224684 1137219221 /nfs/dbraw/zinc/21/92/21/1137219221.db2.gz FQOSQZMVFCDQIS-UHFFFAOYSA-N -1 0 338.473 3.682 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)Cc2ccc(Cl)s2)c2ccccc21 ZINC000864226756 1137219261 /nfs/dbraw/zinc/21/92/61/1137219261.db2.gz PWBOFKROJDLURQ-JTQLQIEISA-N -1 0 335.812 3.549 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)[C@@H](C)c2cccc(F)c2)c1 ZINC000864229951 1137219280 /nfs/dbraw/zinc/21/92/80/1137219280.db2.gz PAFJJJWTHNBJGG-GUYCJALGSA-N -1 0 329.371 3.570 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2CSc3ccccc32)c1 ZINC000864229927 1137219410 /nfs/dbraw/zinc/21/94/10/1137219410.db2.gz OUXVUUICIAJFJG-CVEARBPZSA-N -1 0 341.432 3.517 20 0 EHADRM COc1ccc(CN[C@H](C)c2ncc(C(=O)[O-])s2)cc1C(C)(C)C ZINC000864516014 1137231310 /nfs/dbraw/zinc/23/13/10/1137231310.db2.gz ILAFZXPRENJPFH-LLVKDONJSA-N -1 0 348.468 3.998 20 0 EHADRM Cc1cc(SC(C)(C)C)ccc1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000864592034 1137235965 /nfs/dbraw/zinc/23/59/65/1137235965.db2.gz RAKNNOLLBZPRDV-TXEJJXNPSA-N -1 0 336.457 3.870 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])cc(-c2ccc(C3(O)CCC3)cc2)c1O ZINC000864612056 1137236602 /nfs/dbraw/zinc/23/66/02/1137236602.db2.gz JMQSFFFJZDGEAH-BAQGIRSFSA-N -1 0 340.375 3.537 20 0 EHADRM COc1ccc(CCC(=O)[O-])cc1-c1ccc(C2(O)CCC2)cc1 ZINC000864611599 1137236693 /nfs/dbraw/zinc/23/66/93/1137236693.db2.gz CQTDZSHMPJXMDT-UHFFFAOYSA-N -1 0 326.392 3.751 20 0 EHADRM Cc1ccc(O[C@H](C)C(=O)[O-])c(-c2ccc(C3(O)CCC3)cc2)c1 ZINC000864613085 1137236740 /nfs/dbraw/zinc/23/67/40/1137236740.db2.gz ZAKDWKNLHSEFOE-CQSZACIVSA-N -1 0 326.392 3.885 20 0 EHADRM O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)c1ccc2[n-]c(=S)oc2c1 ZINC000120306489 1137253931 /nfs/dbraw/zinc/25/39/31/1137253931.db2.gz YBESKVJONOLILF-TZMCWYRMSA-N -1 0 328.368 3.542 20 0 EHADRM Cc1csc(Nc2ccc(NC(=O)c3ncc(C)cc3[O-])cc2)n1 ZINC001144248554 1137258124 /nfs/dbraw/zinc/25/81/24/1137258124.db2.gz QWXGNBGBHNRDIM-UHFFFAOYSA-N -1 0 340.408 3.856 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)c2coc(-c3ccccc3)n2)cc1 ZINC000120625225 1137294524 /nfs/dbraw/zinc/29/45/24/1137294524.db2.gz VATRRPMSLHVQCL-DHZHZOJOSA-N -1 0 334.331 3.692 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000846709860 1137363162 /nfs/dbraw/zinc/36/31/62/1137363162.db2.gz VTFJOSBPTNIVDE-JTQLQIEISA-N -1 0 347.333 3.653 20 0 EHADRM Cc1ccccc1-n1nccc1/C=C/c1ncc(/C=C\C(=O)[O-])s1 ZINC000794940926 1137373352 /nfs/dbraw/zinc/37/33/52/1137373352.db2.gz FZUNTTXOZLROLZ-FFELTBSMSA-N -1 0 337.404 3.905 20 0 EHADRM O=C([N-]OCCC(F)(F)F)[C@H](c1cccnc1)C1CCCCC1 ZINC000867551067 1137381456 /nfs/dbraw/zinc/38/14/56/1137381456.db2.gz ZSDATEWPMQDSQS-AWEZNQCLSA-N -1 0 330.350 3.746 20 0 EHADRM O=C(Cc1csc(-c2ccccc2)n1)[N-]Oc1ccc(F)cc1 ZINC001146543092 1137391622 /nfs/dbraw/zinc/39/16/22/1137391622.db2.gz PLUWCCVPDYFRBI-UHFFFAOYSA-N -1 0 328.368 3.602 20 0 EHADRM Cc1nc(C)c(C(=O)Nc2ccc(F)c(Br)c2[O-])s1 ZINC001147240047 1137403308 /nfs/dbraw/zinc/40/33/08/1137403308.db2.gz DQWVTRUHFCLNIL-UHFFFAOYSA-N -1 0 345.193 3.619 20 0 EHADRM O=C(NCCc1ccc(F)c(F)c1F)c1cc(F)cc(Cl)c1[O-] ZINC001161066069 1137413370 /nfs/dbraw/zinc/41/33/70/1137413370.db2.gz DMJBBVJIQWOUKB-UHFFFAOYSA-N -1 0 347.695 3.575 20 0 EHADRM COc1ccc(C(=O)Nc2c(Cl)ccc([O-])c2Cl)cc1O ZINC001148267425 1137421180 /nfs/dbraw/zinc/42/11/80/1137421180.db2.gz PNJUPLCHPJJUBE-UHFFFAOYSA-N -1 0 328.151 3.666 20 0 EHADRM CC(=O)c1cccc(O)c1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001148801352 1137435312 /nfs/dbraw/zinc/43/53/12/1137435312.db2.gz ZKNIFZMAPWNBKK-UHFFFAOYSA-N -1 0 339.269 3.572 20 0 EHADRM O=C(N[C@H]1CCCc2cnccc21)c1cc(Cl)cc(Cl)c1[O-] ZINC001148813818 1137435718 /nfs/dbraw/zinc/43/57/18/1137435718.db2.gz INLWMAYBKZGADR-AWEZNQCLSA-N -1 0 337.206 3.901 20 0 EHADRM CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000839892810 1137439364 /nfs/dbraw/zinc/43/93/64/1137439364.db2.gz SVZMKHPFMITGDZ-STQMWFEESA-N -1 0 345.468 3.569 20 0 EHADRM CSc1ccccc1[N-]C(=S)Nc1ccc2c(c1)OCCO2 ZINC000017450131 1137444650 /nfs/dbraw/zinc/44/46/50/1137444650.db2.gz FUJJBWVJVWYOBV-UHFFFAOYSA-N -1 0 332.450 3.989 20 0 EHADRM Cc1c(=O)[n-]n(-c2ccccc2)c1N[C@H]1CCc2c(F)cccc2C1 ZINC001171419743 1137477498 /nfs/dbraw/zinc/47/74/98/1137477498.db2.gz UPULMZPSVFJEOX-HNNXBMFYSA-N -1 0 337.398 3.995 20 0 EHADRM O=C([N-]OCCCC(F)(F)F)C1(c2ccnc3ccccc32)CC1 ZINC000871217718 1137528139 /nfs/dbraw/zinc/52/81/39/1137528139.db2.gz PZTJOTMDSHIENO-UHFFFAOYSA-N -1 0 338.329 3.657 20 0 EHADRM Cc1c(-c2ccccc2)[n-]n(-c2ncnc(Cl)c2C(C)C)c1=O ZINC000871957180 1137563749 /nfs/dbraw/zinc/56/37/49/1137563749.db2.gz PVOVDENTFUAFSF-NSHDSACASA-N -1 0 328.803 3.640 20 0 EHADRM O=c1c(F)c(C(F)(F)F)[n-]n1Cc1c(Cl)cccc1Cl ZINC000871962047 1137563757 /nfs/dbraw/zinc/56/37/57/1137563757.db2.gz WTFJYYPHROIREK-QMMMGPOBSA-N -1 0 329.080 3.592 20 0 EHADRM CC(C)c1c(Cl)ncnc1-n1[n-]c2c(c1=O)CCc1ccccc1-2 ZINC000871956807 1137563777 /nfs/dbraw/zinc/56/37/77/1137563777.db2.gz DYWSOIHZSFZHMP-CYBMUJFWSA-N -1 0 340.814 3.567 20 0 EHADRM Cc1ccccc1[C@@H]1CN(Cc2cc(C(=O)[O-])cs2)[C@H](C)CO1 ZINC000872159002 1137574514 /nfs/dbraw/zinc/57/45/14/1137574514.db2.gz KQOAUUWRYIJXBX-DYVFJYSZSA-N -1 0 331.437 3.717 20 0 EHADRM CCC(F)(F)c1ccccc1[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000872409517 1137579647 /nfs/dbraw/zinc/57/96/47/1137579647.db2.gz ATSYZPODRFYFNK-UHFFFAOYSA-N -1 0 343.399 3.767 20 0 EHADRM CC[C@H](c1ccccc1)N(CC)C(=O)c1ccc2n[nH]c(=S)n2c1 ZINC000825607167 1137580926 /nfs/dbraw/zinc/58/09/26/1137580926.db2.gz UVJMUKDEPYFMFB-OAHLLOKOSA-N -1 0 340.452 3.631 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC000872739586 1137583552 /nfs/dbraw/zinc/58/35/52/1137583552.db2.gz JNEQQTUHUQSSHU-YDZRNGNQSA-N -1 0 343.467 3.666 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N3CC[C@]4(C(=O)[O-])CCC[C@H]34)[nH]c2c1 ZINC000872767644 1137584110 /nfs/dbraw/zinc/58/41/10/1137584110.db2.gz AHCHWBFWWULQON-FXAWDEMLSA-N -1 0 340.423 3.761 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000872833684 1137585242 /nfs/dbraw/zinc/58/52/42/1137585242.db2.gz VCZDGMUOIRGVGD-UHFFFAOYSA-N -1 0 341.432 3.793 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)[C@@](C)(CC(=O)[O-])c2ccsc2)s1 ZINC000872839895 1137585320 /nfs/dbraw/zinc/58/53/20/1137585320.db2.gz ZCWAZQSXMUNNBC-ZBEGNZNMSA-N -1 0 337.466 3.728 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)C(C)(C)SCC(=O)[O-] ZINC000872839686 1137585334 /nfs/dbraw/zinc/58/53/34/1137585334.db2.gz ZQPCWMMJYZNZIA-UHFFFAOYSA-N -1 0 345.848 3.664 20 0 EHADRM O=C([O-])[C@]1(CC(=O)Nc2cccc(C(F)F)c2)CCc2ccccc21 ZINC000872842556 1137585365 /nfs/dbraw/zinc/58/53/65/1137585365.db2.gz XHEBNQLAUSLIEX-IBGZPJMESA-N -1 0 345.345 3.922 20 0 EHADRM CC(C)C[C@@](C)(CC(=O)[O-])C(=O)Nc1cccc(-c2cnco2)c1 ZINC000872898642 1137586243 /nfs/dbraw/zinc/58/62/43/1137586243.db2.gz YTWYHDVBZFDAKA-SFHVURJKSA-N -1 0 330.384 3.807 20 0 EHADRM C[C@@](CC(=O)N[C@@H]1C=CCC1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000872981561 1137587415 /nfs/dbraw/zinc/58/74/15/1137587415.db2.gz FBBCUGCZRUCMGL-BZNIZROVSA-N -1 0 342.222 3.561 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(Cc2coc(C3CC3)n2)CC1 ZINC000873641082 1137605641 /nfs/dbraw/zinc/60/56/41/1137605641.db2.gz OFGMDSUNWZENDE-UHFFFAOYSA-N -1 0 326.396 3.630 20 0 EHADRM CC[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])C1 ZINC000873990380 1137608949 /nfs/dbraw/zinc/60/89/49/1137608949.db2.gz YSWQDVNTYOTQQU-CYBMUJFWSA-N -1 0 327.380 3.727 20 0 EHADRM CC1(C)[C@H](NC(=O)c2cc(Cl)cc(Cl)c2[O-])[C@H]2CCCO[C@H]21 ZINC001137082141 1137621967 /nfs/dbraw/zinc/62/19/67/1137621967.db2.gz QCKUZNZZWWYQON-OWYVNGRQSA-N -1 0 344.238 3.632 20 0 EHADRM CCO[C@H]1C[C@H](N(C)C(=O)c2c([O-])cccc2F)C12CCCCC2 ZINC001137083287 1137626036 /nfs/dbraw/zinc/62/60/36/1137626036.db2.gz HCEYVHHBTIOZJV-HOTGVXAUSA-N -1 0 335.419 3.731 20 0 EHADRM CCCOc1c(OC)cc(C(=O)[O-])cc1-c1ccc(C=O)c(F)c1 ZINC000874972546 1137627302 /nfs/dbraw/zinc/62/73/02/1137627302.db2.gz DDEZCXNCMHJYOP-UHFFFAOYSA-N -1 0 332.327 3.801 20 0 EHADRM CCOc1cc(CC(=O)[O-])c(-c2ccc(C=O)c(F)c2)cc1OCC ZINC000874973481 1137627346 /nfs/dbraw/zinc/62/73/46/1137627346.db2.gz WEXQEMSISCRAQQ-UHFFFAOYSA-N -1 0 346.354 3.730 20 0 EHADRM O=Cc1ccc(-c2ccccc2-c2cnc(CCC(=O)[O-])o2)s1 ZINC000874972759 1137627354 /nfs/dbraw/zinc/62/73/54/1137627354.db2.gz MFMVQZKBAHMQLS-UHFFFAOYSA-N -1 0 327.361 3.900 20 0 EHADRM O=C(NCCOCc1ccccc1)c1cc(Cl)cc(Cl)c1[O-] ZINC001137131349 1137718167 /nfs/dbraw/zinc/71/81/67/1137718167.db2.gz ADWYYNHGJVFQRC-UHFFFAOYSA-N -1 0 340.206 3.646 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cnc(CC3CC3)s2)c1 ZINC000880075351 1137767341 /nfs/dbraw/zinc/76/73/41/1137767341.db2.gz JGEXTFDHORNFBN-UHFFFAOYSA-N -1 0 330.409 3.646 20 0 EHADRM CC(C)ON=C([O-])Nc1nnc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000880219539 1137771279 /nfs/dbraw/zinc/77/12/79/1137771279.db2.gz LXGKLSQXNIRDNR-UHFFFAOYSA-N -1 0 346.334 3.685 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ncsc1C1CC1 ZINC000882773176 1137834035 /nfs/dbraw/zinc/83/40/35/1137834035.db2.gz BWFFDJNSRXHODC-UHFFFAOYSA-N -1 0 328.846 3.783 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000108068177 1137888579 /nfs/dbraw/zinc/88/85/79/1137888579.db2.gz ITGVHFWNZLVTTG-WNSKOXEYSA-N -1 0 329.465 3.795 20 0 EHADRM Cc1occc1-c1cc([N-]S(=O)(=O)/C=C/c2ccccc2F)no1 ZINC000800047423 1137895673 /nfs/dbraw/zinc/89/56/73/1137895673.db2.gz KZQUMCJXNUVZPF-VQHVLOKHSA-N -1 0 348.355 3.795 20 0 EHADRM Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000331423920 1137907755 /nfs/dbraw/zinc/90/77/55/1137907755.db2.gz QQLYBKOILHBGQG-FUHWJXTLSA-N -1 0 347.361 3.629 20 0 EHADRM CCN(C(=O)N=c1[n-]nc(-c2ccsc2)s1)C1CCCCC1 ZINC000331479864 1137910010 /nfs/dbraw/zinc/91/00/10/1137910010.db2.gz DNPPUDTVJYRFOX-UHFFFAOYSA-N -1 0 336.486 3.875 20 0 EHADRM C[C@@H]1C[C@H](C)CN1C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000332141034 1137933225 /nfs/dbraw/zinc/93/32/25/1137933225.db2.gz FBVDVYTWXWNMNS-VHSXEESVSA-N -1 0 336.848 3.543 20 0 EHADRM C[C@@H]1C[C@@H](C)N(C(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)C1 ZINC000332141020 1137933244 /nfs/dbraw/zinc/93/32/44/1137933244.db2.gz FBVDVYTWXWNMNS-NXEZZACHSA-N -1 0 336.848 3.543 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCc2c(F)cc(F)cc2C1 ZINC000134296148 1137953269 /nfs/dbraw/zinc/95/32/69/1137953269.db2.gz CUQIBKRXNGMMCY-UHFFFAOYSA-N -1 0 346.358 3.593 20 0 EHADRM CCN(CC)c1ccc(NC(=O)c2s[n-]c(=O)c2Cl)cc1 ZINC000282932236 1137984993 /nfs/dbraw/zinc/98/49/93/1137984993.db2.gz JQROTARREZZCFC-UHFFFAOYSA-N -1 0 325.821 3.601 20 0 EHADRM Cc1csc(C[C@@H]2CCN(C(=O)c3cccc(Cl)c3[O-])C2)n1 ZINC000886228446 1138061119 /nfs/dbraw/zinc/06/11/19/1138061119.db2.gz ZFRBRRQEIRECGT-NSHDSACASA-N -1 0 336.844 3.515 20 0 EHADRM CCSCc1cccnc1[N-]S(=O)(=O)c1cccc(CC)c1 ZINC000886444696 1138078715 /nfs/dbraw/zinc/07/87/15/1138078715.db2.gz GVTYHKAMPOEKHZ-UHFFFAOYSA-N -1 0 336.482 3.698 20 0 EHADRM CC(C)(CC(=O)Nc1ccc(Br)cc1Cl)C(=O)[O-] ZINC000078880323 1138153520 /nfs/dbraw/zinc/15/35/20/1138153520.db2.gz LBXVYWFELINETB-UHFFFAOYSA-N -1 0 334.597 3.542 20 0 EHADRM O=c1c2c([n-]n1-c1cc(Cl)nc3ncccc13)CCCCCC2 ZINC000887294874 1138257552 /nfs/dbraw/zinc/25/75/52/1138257552.db2.gz OSZSXNPDVPHZPT-LLVKDONJSA-N -1 0 328.803 3.956 20 0 EHADRM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000887304671 1138259693 /nfs/dbraw/zinc/25/96/93/1138259693.db2.gz LBCKVMZKDAOMHU-XLTGGDBASA-N -1 0 345.826 3.526 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC000887315804 1138262942 /nfs/dbraw/zinc/26/29/42/1138262942.db2.gz BRYHXWRQXHBBAH-FRRDWIJNSA-N -1 0 345.292 3.865 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc([C@@H](F)C(F)(F)F)cc2)CCC1 ZINC000887315924 1138263053 /nfs/dbraw/zinc/26/30/53/1138263053.db2.gz FTLUXXNTGQQKJB-GFCCVEGCSA-N -1 0 333.281 3.843 20 0 EHADRM CC(C)(CC(=O)NCc1ccc(C(=O)[O-])cc1F)CC(F)(F)F ZINC000887325411 1138266349 /nfs/dbraw/zinc/26/63/49/1138266349.db2.gz OSMPZBPPGUJXAG-UHFFFAOYSA-N -1 0 335.297 3.509 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC[C@H]2C2CCC2)n1 ZINC000333386153 1138284373 /nfs/dbraw/zinc/28/43/73/1138284373.db2.gz BSPIANNUKYDMJS-INIZCTEOSA-N -1 0 339.439 3.545 20 0 EHADRM O=S(=O)(CCC1CCCCC1)[N-]c1nnc(C2CCCCC2)o1 ZINC000333445507 1138291122 /nfs/dbraw/zinc/29/11/22/1138291122.db2.gz QNAGIZFCJWSBBG-UHFFFAOYSA-N -1 0 341.477 3.829 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1 ZINC000887382306 1138294094 /nfs/dbraw/zinc/29/40/94/1138294094.db2.gz CSAVYQCFGJMTKR-FZMZJTMJSA-N -1 0 348.296 3.731 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)Nc2ccc([C@@H](F)C(F)(F)F)cc2)C1 ZINC000887394459 1138302630 /nfs/dbraw/zinc/30/26/30/1138302630.db2.gz RUROJKIZMMUXOT-ZYHUDNBSSA-N -1 0 348.296 3.588 20 0 EHADRM Cc1ccc(C)n1C1CCN(Cc2nc(=O)c3sccc3[n-]2)CC1 ZINC000264184952 1138436805 /nfs/dbraw/zinc/43/68/05/1138436805.db2.gz CRHRQZISDUSACA-UHFFFAOYSA-N -1 0 342.468 3.652 20 0 EHADRM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccc(C)cn3)c2)n1 ZINC000337130308 1138474219 /nfs/dbraw/zinc/47/42/19/1138474219.db2.gz IYFSYBJSBKYXTG-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM COc1ccccc1-c1csc(Nc2ncnc3ccncc32)n1 ZINC000337535511 1138597795 /nfs/dbraw/zinc/59/77/95/1138597795.db2.gz XOBBDOBOKKAEIB-UHFFFAOYSA-N -1 0 335.392 3.901 20 0 EHADRM CCCO[C@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2[O-])CC1 ZINC000134181394 1138676659 /nfs/dbraw/zinc/67/66/59/1138676659.db2.gz IVKDLCWUPITTEU-LBPRGKRZSA-N -1 0 329.799 3.606 20 0 EHADRM Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000134198301 1138677292 /nfs/dbraw/zinc/67/72/92/1138677292.db2.gz LRDIKFFFNDCVNO-CYBMUJFWSA-N -1 0 337.782 3.502 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2C)c1F ZINC000337864143 1138684603 /nfs/dbraw/zinc/68/46/03/1138684603.db2.gz NNDVQCYWFHHZNY-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM C[C@@]1(c2ccccc2)CCC[N@H+](Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000264967750 1138689823 /nfs/dbraw/zinc/68/98/23/1138689823.db2.gz OSNRPNSXTHPGJU-LJQANCHMSA-N -1 0 339.464 3.951 20 0 EHADRM COCCCC[C@H](N=c1nc([C@H](C)OC)[n-]s1)c1ccccc1 ZINC000337945798 1138703988 /nfs/dbraw/zinc/70/39/88/1138703988.db2.gz VVDBSQFUDCPPHK-ZFWWWQNUSA-N -1 0 335.473 3.637 20 0 EHADRM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1csc(=O)[nH]1 ZINC000350828274 1139357384 /nfs/dbraw/zinc/35/73/84/1139357384.db2.gz UWZYVMSMYKNFKB-UHFFFAOYSA-N -1 0 339.587 3.767 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CC[C@@H](CSc3ccccc3)C2)C1 ZINC000180026093 1139801822 /nfs/dbraw/zinc/80/18/22/1139801822.db2.gz LOIJUUXDGQITOU-OAGGEKHMSA-N -1 0 347.480 3.518 20 0 EHADRM CC[C@H](c1ccncc1)N(CC)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000180052241 1139804596 /nfs/dbraw/zinc/80/45/96/1139804596.db2.gz VEXXKNLWCJFGGC-CYBMUJFWSA-N -1 0 338.329 3.818 20 0 EHADRM Cn1nc(C2CCCC2)cc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000181110346 1139886622 /nfs/dbraw/zinc/88/66/22/1139886622.db2.gz XEXSNQZZRPYKPG-UHFFFAOYSA-N -1 0 339.848 3.532 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)NCCCCCCCC(=O)[O-] ZINC000777384107 1139962246 /nfs/dbraw/zinc/96/22/46/1139962246.db2.gz NZDYHWLCISYEKO-UHFFFAOYSA-N -1 0 326.462 3.730 20 0 EHADRM C/C(=C\C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1Cl ZINC000777393534 1140027445 /nfs/dbraw/zinc/02/74/45/1140027445.db2.gz MNHIPBKADLXYIK-CMPYXILNSA-N -1 0 335.831 3.847 20 0 EHADRM C[C@@H](CNC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)CC(=O)[O-] ZINC000777397121 1140046310 /nfs/dbraw/zinc/04/63/10/1140046310.db2.gz WMTCCYAPILDSHE-YPUOHESYSA-N -1 0 347.411 3.794 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(F)c([O-])c(Cl)c2)C[C@H](c2ccccc2)O1 ZINC000184321196 1140095765 /nfs/dbraw/zinc/09/57/65/1140095765.db2.gz SHSAGCJATSABIB-MEDUHNTESA-N -1 0 349.789 3.787 20 0 EHADRM CC(C)c1nc(CCNC(=O)c2cc(F)c([O-])c(Cl)c2)cs1 ZINC000184360989 1140098587 /nfs/dbraw/zinc/09/85/87/1140098587.db2.gz NQMZKAGZLNNHGC-UHFFFAOYSA-N -1 0 342.823 3.737 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1cnn(-c2cccc(Cl)c2)n1 ZINC000777427635 1140224743 /nfs/dbraw/zinc/22/47/43/1140224743.db2.gz GYYYLRCEFGSLRJ-UHFFFAOYSA-N -1 0 349.177 3.532 20 0 EHADRM COc1cccc(OC)c1S(=O)(=O)[N-]c1cccc(C(C)C)c1 ZINC000186920803 1140228502 /nfs/dbraw/zinc/22/85/02/1140228502.db2.gz YWWYCBONGLIBBL-UHFFFAOYSA-N -1 0 335.425 3.628 20 0 EHADRM CCc1nc(C)c([N-]S(=O)(=O)c2cccc(C(F)F)c2)s1 ZINC000780403691 1140284901 /nfs/dbraw/zinc/28/49/01/1140284901.db2.gz VLYBKIPSOPNAAG-UHFFFAOYSA-N -1 0 332.397 3.752 20 0 EHADRM CCC(CC)[C@@H]1C[C@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)CCO1 ZINC000192456291 1140533087 /nfs/dbraw/zinc/53/30/87/1140533087.db2.gz WEAFOPHBIBLVRM-DOMZBBRYSA-N -1 0 343.826 3.898 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(C)cc2C)cnn1C1CCCC1 ZINC000194227815 1140602816 /nfs/dbraw/zinc/60/28/16/1140602816.db2.gz BNPMGYNUPOBPEQ-UHFFFAOYSA-N -1 0 333.457 3.724 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCC2(C1)CCOCC2 ZINC000267513093 1140799022 /nfs/dbraw/zinc/79/90/22/1140799022.db2.gz MJYGQDFUGMJNLH-UHFFFAOYSA-N -1 0 345.826 3.842 20 0 EHADRM CCCN(CCc1cccs1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000274405260 1141517958 /nfs/dbraw/zinc/51/79/58/1141517958.db2.gz LCIYILKGPQNQIU-UHFFFAOYSA-N -1 0 343.370 3.966 20 0 EHADRM O=C(Nc1cccc(Br)c1)c1s[n-]c(=O)c1Cl ZINC000339234787 1141536600 /nfs/dbraw/zinc/53/66/00/1141536600.db2.gz VPQKUPAJAUNOGK-UHFFFAOYSA-N -1 0 333.594 3.517 20 0 EHADRM O=C(Nc1cnccc1Oc1ccccc1)c1s[n-]c(=O)c1Cl ZINC000339246560 1141539618 /nfs/dbraw/zinc/53/96/18/1141539618.db2.gz CEZINCJHUIQDLZ-UHFFFAOYSA-N -1 0 347.783 3.942 20 0 EHADRM O=C([N-]c1ncn(C2CCCCC2)n1)c1ncsc1C(F)(F)F ZINC000283057830 1141545327 /nfs/dbraw/zinc/54/53/27/1141545327.db2.gz IAQPNIWYJASEGV-UHFFFAOYSA-N -1 0 345.350 3.511 20 0 EHADRM Cc1cnn(C)c1/C=C(\CCC(=O)[O-])c1nc2ccccc2s1 ZINC000349108484 1141640402 /nfs/dbraw/zinc/64/04/02/1141640402.db2.gz LGQPQDMXLPMBPZ-FMIVXFBMSA-N -1 0 327.409 3.744 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2csc(Br)c2)c1 ZINC000037402754 213144214 /nfs/dbraw/zinc/14/42/14/213144214.db2.gz HOBIFHUESFYDSP-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(Br)s2)s1 ZINC000035426517 213027603 /nfs/dbraw/zinc/02/76/03/213027603.db2.gz BAJOCDXRKQNXAE-UHFFFAOYSA-N -1 0 332.200 3.523 20 0 EHADRM COc1ccccc1OCC(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000021127489 212209772 /nfs/dbraw/zinc/20/97/72/212209772.db2.gz VDMIPUKLWNFTBU-UHFFFAOYSA-N -1 0 342.178 3.725 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)CCCOc2ccccc2)s1 ZINC000020333238 212120843 /nfs/dbraw/zinc/12/08/43/212120843.db2.gz ZPZWMSNPVNJNTM-UHFFFAOYSA-N -1 0 333.409 3.806 20 0 EHADRM CCC(CC)(CC(=O)Nc1ccc(Br)cc1)C(=O)[O-] ZINC000011162383 211204795 /nfs/dbraw/zinc/20/47/95/211204795.db2.gz GIWGWUBLQVPQPP-UHFFFAOYSA-N -1 0 328.206 3.669 20 0 EHADRM O=C([O-])CCCCCNC(=O)CCc1ccc(Cl)cc1Cl ZINC000036970859 527580495 /nfs/dbraw/zinc/58/04/95/527580495.db2.gz PYZJBSHOXKPJAF-UHFFFAOYSA-N -1 0 332.227 3.687 20 0 EHADRM c1ccc(CCCSc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000738427445 598969829 /nfs/dbraw/zinc/96/98/29/598969829.db2.gz IBWSCRLDCMEBRC-UHFFFAOYSA-N -1 0 348.435 3.535 20 0 EHADRM C[C@@H](CNc1ccc(C(=O)[O-])nn1)c1c(Cl)cccc1Cl ZINC000736607064 599784773 /nfs/dbraw/zinc/78/47/73/599784773.db2.gz OOQPTIVQLZNHTM-QMMMGPOBSA-N -1 0 326.183 3.697 20 0 EHADRM CSc1cc(C(=O)NCC(C)(C)C(=O)[O-])c(Cl)cc1Cl ZINC000237426167 602169283 /nfs/dbraw/zinc/16/92/83/602169283.db2.gz LNVRCGHIFIALIF-UHFFFAOYSA-N -1 0 336.240 3.556 20 0 EHADRM C[C@@H](c1ccco1)N(C(=O)Nc1cccc(CC(=O)[O-])c1)C1CC1 ZINC000818070874 596959726 /nfs/dbraw/zinc/95/97/26/596959726.db2.gz AKRBTGYWMZSYQG-LBPRGKRZSA-N -1 0 328.368 3.664 20 0 EHADRM CSc1cc(C)ccc1CNC(=O)Nc1ccccc1CC(=O)[O-] ZINC000818658826 596974864 /nfs/dbraw/zinc/97/48/64/596974864.db2.gz XOPURICLRYBREU-UHFFFAOYSA-N -1 0 344.436 3.666 20 0 EHADRM O=C([O-])CSCC(=O)Nc1ccccc1SCc1ccccc1 ZINC000740487524 597085218 /nfs/dbraw/zinc/08/52/18/597085218.db2.gz ZIMJSMQVSZTHRD-UHFFFAOYSA-N -1 0 347.461 3.735 20 0 EHADRM C[C@@H](Nc1ccc(NC(=O)CSCC(=O)[O-])cc1)c1ccccc1 ZINC000739035655 597099541 /nfs/dbraw/zinc/09/95/41/597099541.db2.gz IAOQTTPXSKZTJI-CYBMUJFWSA-N -1 0 344.436 3.616 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)c2cc3c(cccc3Cl)s2)C1 ZINC000676216797 597104260 /nfs/dbraw/zinc/10/42/60/597104260.db2.gz UJJHDQOREIWLGN-SNVBAGLBSA-N -1 0 337.828 3.882 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2[nH]c3ccc(F)cc3c2Cl)cc1 ZINC000347384420 597148796 /nfs/dbraw/zinc/14/87/96/597148796.db2.gz AFSIJFQDUVNTEL-UHFFFAOYSA-N -1 0 346.745 3.589 20 0 EHADRM CC1(C)CN(C(=O)Nc2cccc(CC(=O)[O-])c2)[C@H]1c1ccccc1 ZINC000737730984 597186200 /nfs/dbraw/zinc/18/62/00/597186200.db2.gz IGYFIFIDOJKDNP-SFHVURJKSA-N -1 0 338.407 3.929 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N(Cc2cccc(F)c2)C2CC2)c1 ZINC000738625383 597192761 /nfs/dbraw/zinc/19/27/61/597192761.db2.gz ZPMUPQIOUPNJQM-UHFFFAOYSA-N -1 0 342.370 3.649 20 0 EHADRM COc1ccccc1NC(=O)[C@@H](C)SCc1ccc(C(=O)[O-])cc1 ZINC000013062599 597284143 /nfs/dbraw/zinc/28/41/43/597284143.db2.gz YEFOMUZYSWXLCG-GFCCVEGCSA-N -1 0 345.420 3.654 20 0 EHADRM O=C([O-])c1ccc(CSCc2nnc(-c3ccccc3)o2)cc1 ZINC000819691577 597285423 /nfs/dbraw/zinc/28/54/23/597285423.db2.gz RJLHSUOHOGSLMZ-UHFFFAOYSA-N -1 0 326.377 3.868 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000321137843 597316209 /nfs/dbraw/zinc/31/62/09/597316209.db2.gz SRCPNUNXJBWGMD-UHFFFAOYSA-N -1 0 329.783 3.637 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N[C@@H]1CCc2c1cccc2Cl ZINC000819608815 597321604 /nfs/dbraw/zinc/32/16/04/597321604.db2.gz CHFZVIGQJHQUJS-MRXNPFEDSA-N -1 0 344.798 3.776 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N[C@H]1CCc2c1cccc2Cl ZINC000819608814 597321665 /nfs/dbraw/zinc/32/16/65/597321665.db2.gz CHFZVIGQJHQUJS-INIZCTEOSA-N -1 0 344.798 3.776 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000819608780 597325498 /nfs/dbraw/zinc/32/54/98/597325498.db2.gz BEBABTGXMPDOER-RYUDHWBXSA-N -1 0 344.333 3.556 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N[C@H]1CCSc2ccccc21 ZINC000819609471 597335638 /nfs/dbraw/zinc/33/56/38/597335638.db2.gz JPFGBWGINNZMHI-HNNXBMFYSA-N -1 0 342.420 3.672 20 0 EHADRM O=C([O-])C1CCC(NC(=O)CC2CCC(C(F)(F)F)CC2)CC1 ZINC000262241169 597728361 /nfs/dbraw/zinc/72/83/61/597728361.db2.gz WDBZFJQXJFRRFR-UHFFFAOYSA-N -1 0 335.366 3.505 20 0 EHADRM CC(C)(C)OC(=O)NCc1cccc(NC2CCC(C(=O)[O-])CC2)c1 ZINC000306101359 598110666 /nfs/dbraw/zinc/11/06/66/598110666.db2.gz POKXCXWCWLMLMG-UHFFFAOYSA-N -1 0 348.443 3.767 20 0 EHADRM Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cccc(C(=O)[O-])c1 ZINC000341710191 598140759 /nfs/dbraw/zinc/14/07/59/598140759.db2.gz DSSVHHXLYCFJBT-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(OCc3ccccn3)c2)cc1 ZINC000563949248 598154503 /nfs/dbraw/zinc/15/45/03/598154503.db2.gz UJTQEVOJUGEJSU-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM Cc1csc([C@H]2CCCCN2C(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC000262251371 598155381 /nfs/dbraw/zinc/15/53/81/598155381.db2.gz BXUKEFYTBNSKPQ-CQSZACIVSA-N -1 0 330.409 3.517 20 0 EHADRM CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccccc2C(=O)[O-])s1 ZINC000820492589 598176244 /nfs/dbraw/zinc/17/62/44/598176244.db2.gz MYXLVSQCSJMNDG-NSHDSACASA-N -1 0 347.440 3.937 20 0 EHADRM Cc1c(CSC(C)C)cccc1NC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000780589807 598207160 /nfs/dbraw/zinc/20/71/60/598207160.db2.gz MKANURKRNPARHO-OAHLLOKOSA-N -1 0 336.457 3.718 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)Oc1ccc(C)cc1C(=O)[O-] ZINC000738125471 599704218 /nfs/dbraw/zinc/70/42/18/599704218.db2.gz CVRVZOYMNFOILP-CQSZACIVSA-N -1 0 342.391 3.876 20 0 EHADRM CN(Cc1c(F)cccc1Cl)C(=O)c1ccccc1NC(=O)[O-] ZINC000737454225 599705845 /nfs/dbraw/zinc/70/58/45/599705845.db2.gz DXMBITOPGOFDIS-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM O=C([O-])NCCC(=O)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000739947213 599708323 /nfs/dbraw/zinc/70/83/23/599708323.db2.gz SLXFZXDFCXGBGV-UHFFFAOYSA-N -1 0 341.392 3.560 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N[C@H]2CCc3c2cccc3F)ccc1F ZINC000740006684 599713934 /nfs/dbraw/zinc/71/39/34/599713934.db2.gz VNOMVYFQUGGKSF-AWEZNQCLSA-N -1 0 347.321 3.864 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)o1 ZINC000736762442 599714466 /nfs/dbraw/zinc/71/44/66/599714466.db2.gz AZXLLHFLNOFJSO-SKDRFNHKSA-N -1 0 347.346 3.954 20 0 EHADRM Cc1cc(CNC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc(C)c1O ZINC000738389161 599714746 /nfs/dbraw/zinc/71/47/46/599714746.db2.gz OBWOLCIZRWWYIC-UHFFFAOYSA-N -1 0 347.346 3.560 20 0 EHADRM O=C([O-])c1cccc(NC(=O)CCCc2ccc(Cl)cc2)c1O ZINC000739236638 599718164 /nfs/dbraw/zinc/71/81/64/599718164.db2.gz PPSZXZJKDPQUFL-UHFFFAOYSA-N -1 0 333.771 3.705 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2csc(-c3cccs3)n2)c1O ZINC000322455325 599718813 /nfs/dbraw/zinc/71/88/13/599718813.db2.gz FVKXQOFVSAZUJF-UHFFFAOYSA-N -1 0 346.389 3.528 20 0 EHADRM CC(C)(NC(=O)NCCCCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000736324997 599720177 /nfs/dbraw/zinc/72/01/77/599720177.db2.gz UCKJATUQEBYQAB-UHFFFAOYSA-N -1 0 340.851 3.909 20 0 EHADRM CC(C)CC[C@H](NC(=O)CCNC(=O)[O-])c1ccc(Cl)cc1 ZINC000736429401 599723042 /nfs/dbraw/zinc/72/30/42/599723042.db2.gz VQJLNMKKKRYCQP-AWEZNQCLSA-N -1 0 326.824 3.591 20 0 EHADRM CC(C)[C@@H](NC(=O)CCCN(C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000736358566 599727583 /nfs/dbraw/zinc/72/75/83/599727583.db2.gz KEJNFPITEZUIFA-OAHLLOKOSA-N -1 0 326.824 3.543 20 0 EHADRM Cc1cc(-c2ccccc2)ccc1NC(=O)CCCN(C)C(=O)[O-] ZINC000738314935 599732517 /nfs/dbraw/zinc/73/25/17/599732517.db2.gz WHDOOZPOLZDFEP-UHFFFAOYSA-N -1 0 326.396 3.991 20 0 EHADRM O=C([O-])C1CCC(NC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)CC1 ZINC000238074466 599733284 /nfs/dbraw/zinc/73/32/84/599733284.db2.gz XBSRDGHQMHXXCG-NRERDWFFSA-N -1 0 337.419 3.703 20 0 EHADRM C[C@H](NC(=O)NCCCC(=O)[O-])c1ccccc1Oc1ccccc1 ZINC000414621114 599736966 /nfs/dbraw/zinc/73/69/66/599736966.db2.gz VAYGRNYUJISFQI-AWEZNQCLSA-N -1 0 342.395 3.704 20 0 EHADRM Cc1nc(CC(C)C)sc1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000346005253 599744988 /nfs/dbraw/zinc/74/49/88/599744988.db2.gz ZNCKBVBAFSCLFB-UHFFFAOYSA-N -1 0 336.388 3.740 20 0 EHADRM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCCN(C)C(=O)[O-] ZINC000736929530 599746029 /nfs/dbraw/zinc/74/60/29/599746029.db2.gz QIYWVQAQAFBKGF-DLBZAZTESA-N -1 0 332.444 3.561 20 0 EHADRM Cc1nc(CC(C)C)sc1C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000738850833 599746196 /nfs/dbraw/zinc/74/61/96/599746196.db2.gz CNUSATFZCSRWEQ-UHFFFAOYSA-N -1 0 336.388 3.740 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)CCSCC(=O)[O-])c1ccc(F)cc1 ZINC000736250490 599746779 /nfs/dbraw/zinc/74/67/79/599746779.db2.gz GOCBMXHGEDOWQN-AWEZNQCLSA-N -1 0 341.448 3.627 20 0 EHADRM CCCCN(Cc1ccccc1Cl)C(=O)CCCN(C)C(=O)[O-] ZINC000736994580 599750298 /nfs/dbraw/zinc/75/02/98/599750298.db2.gz YKYBMPADZSAGLL-UHFFFAOYSA-N -1 0 340.851 3.859 20 0 EHADRM CN(CCCC(=O)Nc1cc(F)ccc1Oc1ccccc1)C(=O)[O-] ZINC000737430114 599752091 /nfs/dbraw/zinc/75/20/91/599752091.db2.gz UNFNXAOGLFIKJZ-UHFFFAOYSA-N -1 0 346.358 3.947 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000236965111 599752287 /nfs/dbraw/zinc/75/22/87/599752287.db2.gz QMQBILAQEIOKBM-XKDXWZMYSA-N -1 0 325.408 3.559 20 0 EHADRM Cc1ccc(NC(=O)Cc2ccccc2C(F)(F)F)c(C(=O)[O-])c1 ZINC000544407579 599753258 /nfs/dbraw/zinc/75/32/58/599753258.db2.gz MKKZRKWMZDEVLP-UHFFFAOYSA-N -1 0 337.297 3.893 20 0 EHADRM CCOC(=O)Nc1ccc(OCc2ccc(F)cc2C(=O)[O-])cc1 ZINC000737145842 599763615 /nfs/dbraw/zinc/76/36/15/599763615.db2.gz GDTAXXOKVYKCGI-UHFFFAOYSA-N -1 0 333.315 3.671 20 0 EHADRM Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000738838083 599764352 /nfs/dbraw/zinc/76/43/52/599764352.db2.gz PBURZMQKWBLYLX-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM O=C([O-])c1cccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)n1 ZINC000740214496 599765977 /nfs/dbraw/zinc/76/59/77/599765977.db2.gz JOQWIDWVCXBXML-MRXNPFEDSA-N -1 0 344.798 3.704 20 0 EHADRM CSCc1ccc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000237387762 599767042 /nfs/dbraw/zinc/76/70/42/599767042.db2.gz ZTSUNNFGOJFXSD-UHFFFAOYSA-N -1 0 329.421 3.819 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000262127134 599771754 /nfs/dbraw/zinc/77/17/54/599771754.db2.gz JJONRGGHFZZAMU-CYBMUJFWSA-N -1 0 329.371 3.975 20 0 EHADRM CC(C)[C@H](OC(=O)CCc1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000736392373 599784651 /nfs/dbraw/zinc/78/46/51/599784651.db2.gz YGMZGEFQNLCOKX-SFHVURJKSA-N -1 0 334.412 3.593 20 0 EHADRM Cc1cc(COC(=O)Cc2c[nH]c3cc(Cl)ccc23)oc1C(=O)[O-] ZINC000738392077 599786252 /nfs/dbraw/zinc/78/62/52/599786252.db2.gz HANNQDFQCDOWKI-UHFFFAOYSA-N -1 0 347.754 3.707 20 0 EHADRM O=C([O-])c1ccc(COC(=O)Cc2c[nH]c3cc(Cl)ccc23)cc1 ZINC000739339105 599786551 /nfs/dbraw/zinc/78/65/51/599786551.db2.gz PBXZIVZKSNIDHW-UHFFFAOYSA-N -1 0 343.766 3.805 20 0 EHADRM O=C([O-])c1ccccc1C(=O)OCc1csc(Br)c1 ZINC000740240585 599788365 /nfs/dbraw/zinc/78/83/65/599788365.db2.gz VPTBKTQZZZGLCL-UHFFFAOYSA-N -1 0 341.182 3.566 20 0 EHADRM O=C([O-])CCCCNC(=O)NCc1ccc(Oc2ccccc2)cc1 ZINC000666524140 599792985 /nfs/dbraw/zinc/79/29/85/599792985.db2.gz IQDQOXKQZASAPE-UHFFFAOYSA-N -1 0 342.395 3.533 20 0 EHADRM O=C([O-])NCCC(=O)O[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000739948109 599800251 /nfs/dbraw/zinc/80/02/51/599800251.db2.gz GTJDLEXFVMTZQV-MRXNPFEDSA-N -1 0 333.771 3.630 20 0 EHADRM Cn1c(SCc2cc(C(=O)[O-])co2)nnc1-c1ccc(Cl)cc1 ZINC000739013734 599802265 /nfs/dbraw/zinc/80/22/65/599802265.db2.gz IAMRSSJYRJWYSZ-UHFFFAOYSA-N -1 0 349.799 3.719 20 0 EHADRM CC(C)c1nnc(SCc2cc(C(=O)[O-])co2)n1Cc1ccco1 ZINC000736532752 599803624 /nfs/dbraw/zinc/80/36/24/599803624.db2.gz QEPZRJOBEDHEII-UHFFFAOYSA-N -1 0 347.396 3.626 20 0 EHADRM CC(C)(C)c1ccccc1OCC(=O)Nc1ccsc1C(=O)[O-] ZINC000736299508 599804327 /nfs/dbraw/zinc/80/43/27/599804327.db2.gz MMJAMGSIJBJNAL-UHFFFAOYSA-N -1 0 333.409 3.761 20 0 EHADRM COc1ccccc1CC(C)(C)NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000738124192 599804803 /nfs/dbraw/zinc/80/48/03/599804803.db2.gz NRZBRIRLHCKLAG-UHFFFAOYSA-N -1 0 342.395 3.536 20 0 EHADRM O=C([O-])c1sccc1NC(=O)c1csc(-c2ccccc2)n1 ZINC000739486682 599804895 /nfs/dbraw/zinc/80/48/95/599804895.db2.gz DANYQFXMGDGDSQ-UHFFFAOYSA-N -1 0 330.390 3.822 20 0 EHADRM CCCCc1ccc2nc(NC(=O)[C@H](NC(=O)[O-])C(C)C)sc2c1 ZINC000737003867 599807275 /nfs/dbraw/zinc/80/72/75/599807275.db2.gz LQMIVNBNESQKLU-CQSZACIVSA-N -1 0 349.456 3.870 20 0 EHADRM Cc1c(NC(=O)NC2(c3ccc(F)cc3)CC2)cccc1C(=O)[O-] ZINC000738303316 599817106 /nfs/dbraw/zinc/81/71/06/599817106.db2.gz GZZBKERKMVOICD-UHFFFAOYSA-N -1 0 328.343 3.643 20 0 EHADRM CC(C)[C@@H](NC(=O)[O-])C(=O)NC[C@H](C)c1c(Cl)cccc1Cl ZINC000736593982 599823585 /nfs/dbraw/zinc/82/35/85/599823585.db2.gz ZKOAZSHLYAQUSD-TVQRCGJNSA-N -1 0 347.242 3.505 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)CC2CCC(c3ccccc3)CC2)C1 ZINC000136149494 599824002 /nfs/dbraw/zinc/82/40/02/599824002.db2.gz XWCOCGNIJZUGEV-VJFUWPCTSA-N -1 0 329.440 3.674 20 0 EHADRM CN(C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)C(C)(C)C(=O)[O-] ZINC000737315450 599826541 /nfs/dbraw/zinc/82/65/41/599826541.db2.gz WCDWAKSUSPUHFR-DAXSKMNVSA-N -1 0 349.736 3.694 20 0 EHADRM C[C@@H](Cc1cccs1)NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000322725229 599828182 /nfs/dbraw/zinc/82/81/82/599828182.db2.gz RYJLNXKKYLCHGF-LBPRGKRZSA-N -1 0 332.425 3.518 20 0 EHADRM O=C([O-])c1ccccc1C(=O)OCc1ccc(OC(F)(F)F)cc1 ZINC000740242068 599829368 /nfs/dbraw/zinc/82/93/68/599829368.db2.gz MRFDIIDVYYVMBX-UHFFFAOYSA-N -1 0 340.253 3.640 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1cc(F)ccc1F ZINC000736648602 599829455 /nfs/dbraw/zinc/82/94/55/599829455.db2.gz GSFDLWKGGJURFB-NSHDSACASA-N -1 0 348.349 3.865 20 0 EHADRM C[C@@H](CN(C)C(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccccc1 ZINC000736569598 599829514 /nfs/dbraw/zinc/82/95/14/599829514.db2.gz XOZLQQGASGNCOT-HNNXBMFYSA-N -1 0 340.423 3.971 20 0 EHADRM O=C([O-])/C(=C\c1cc(Cl)c2c(c1)OCCCO2)c1ccncc1 ZINC000739488893 599831455 /nfs/dbraw/zinc/83/14/55/599831455.db2.gz COSXSNYBURLNJX-JYRVWZFOSA-N -1 0 331.755 3.522 20 0 EHADRM CCOc1ccc(CN(C)C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000737204949 599836327 /nfs/dbraw/zinc/83/63/27/599836327.db2.gz FJQVPFNOFMWMAN-UHFFFAOYSA-N -1 0 346.358 3.587 20 0 EHADRM O=C([O-])c1ccccc1COc1nc(-c2ccccc2Cl)no1 ZINC000740238897 599838818 /nfs/dbraw/zinc/83/88/18/599838818.db2.gz BJXBFHUAALPNFL-UHFFFAOYSA-N -1 0 330.727 3.667 20 0 EHADRM CC(C)c1ccc(C2(C(=O)N3CCC(C(=O)[O-])CC3)CCCC2)cc1 ZINC000262723627 599839568 /nfs/dbraw/zinc/83/95/68/599839568.db2.gz XHSIEKZKWHWJQA-UHFFFAOYSA-N -1 0 343.467 3.945 20 0 EHADRM CC(C)c1ccc(NC(=O)c2ccc(-n3ccnc3)cc2)c(C(=O)[O-])c1 ZINC000736514847 599840287 /nfs/dbraw/zinc/84/02/87/599840287.db2.gz DCRHUINXNPSGBV-UHFFFAOYSA-N -1 0 349.390 3.946 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2CCOc3ccccc32)ccc1Cl ZINC000390621159 599843316 /nfs/dbraw/zinc/84/33/16/599843316.db2.gz ZKXLUIFXGAOQBW-LBPRGKRZSA-N -1 0 331.755 3.543 20 0 EHADRM O=C([O-])CN(Cc1ccc(F)c(F)c1)Cc1c(F)cccc1Cl ZINC000739795179 599865230 /nfs/dbraw/zinc/86/52/30/599865230.db2.gz BXFHTZXPWMVNOI-UHFFFAOYSA-N -1 0 343.732 3.844 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)Cc1cccc(F)c1 ZINC000676018628 599871981 /nfs/dbraw/zinc/87/19/81/599871981.db2.gz BZQDJZOSBAWVKI-UHFFFAOYSA-N -1 0 343.379 3.598 20 0 EHADRM O=C([O-])c1coc(COC(=O)c2ccc(-c3ccc(F)cc3)o2)c1 ZINC000740269562 599878778 /nfs/dbraw/zinc/87/87/78/599878778.db2.gz JDUUDBQZYZCOLO-UHFFFAOYSA-N -1 0 330.267 3.734 20 0 EHADRM O=C([O-])c1ccc(-c2ccc(C(=O)OCc3cscn3)cc2)cc1 ZINC000740097471 599880995 /nfs/dbraw/zinc/88/09/95/599880995.db2.gz ISYKZEMWHLIVCI-UHFFFAOYSA-N -1 0 339.372 3.865 20 0 EHADRM CCCc1nc(CN(Cc2ccccc2)C[C@H](C)C(=O)[O-])cs1 ZINC000565427943 599887456 /nfs/dbraw/zinc/88/74/56/599887456.db2.gz UNFDMFYNZJFCMF-AWEZNQCLSA-N -1 0 332.469 3.819 20 0 EHADRM CCOc1ccc(NC(=S)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000737202889 599891812 /nfs/dbraw/zinc/89/18/12/599891812.db2.gz IPTWVDUZTGODGR-UHFFFAOYSA-N -1 0 330.409 3.901 20 0 EHADRM CCOCc1cccc(NC(=O)N[C@H](CC(=O)[O-])c2cccs2)c1 ZINC000737178089 599893357 /nfs/dbraw/zinc/89/33/57/599893357.db2.gz OVVSFSWTBKRNMZ-CQSZACIVSA-N -1 0 348.424 3.622 20 0 EHADRM CCOC(=O)c1sc(NC(=O)c2cccc(NC(=O)[O-])c2)cc1C ZINC000737156245 599893936 /nfs/dbraw/zinc/89/39/36/599893936.db2.gz JKOXOTZKEHHSHJ-UHFFFAOYSA-N -1 0 348.380 3.575 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NCc1nc(-c2ccoc2)no1 ZINC000740097659 599895059 /nfs/dbraw/zinc/89/50/59/599895059.db2.gz PCZNIGXEYQRJDG-UHFFFAOYSA-N -1 0 335.319 3.793 20 0 EHADRM O=C([O-])C1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)CC1 ZINC000238074496 599899024 /nfs/dbraw/zinc/89/90/24/599899024.db2.gz ONFOQGZSPPDMJY-UNLQRWGISA-N -1 0 337.419 3.703 20 0 EHADRM CC[C@H](NC(=O)c1cccc(NC(=O)[O-])c1)c1ccccc1OC ZINC000736920657 599903724 /nfs/dbraw/zinc/90/37/24/599903724.db2.gz XWYXPRYXXFIIPU-HNNXBMFYSA-N -1 0 328.368 3.666 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)Oc1cc(C(=O)[O-])ccc1C ZINC000738121567 599905900 /nfs/dbraw/zinc/90/59/00/599905900.db2.gz SONKBAWWRKQKCK-ZDUSSCGKSA-N -1 0 328.364 3.801 20 0 EHADRM O=C([O-])c1cnc(/C=C\c2ccc(OCC(F)(F)F)cc2)s1 ZINC000522482578 599907394 /nfs/dbraw/zinc/90/73/94/599907394.db2.gz VDPGPCDQZMKLEV-UTCJRWHESA-N -1 0 329.299 3.953 20 0 EHADRM COc1ccc(NC(=O)c2cccc(NC(=O)[O-])c2)c2cccnc12 ZINC000738032903 599908601 /nfs/dbraw/zinc/90/86/01/599908601.db2.gz CQOBRNHFEUBVHQ-UHFFFAOYSA-N -1 0 337.335 3.586 20 0 EHADRM CC(C)(C)Oc1ccc(CNC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000736285693 599909455 /nfs/dbraw/zinc/90/94/55/599909455.db2.gz KQSUGLYLJPZPNY-UHFFFAOYSA-N -1 0 342.395 3.884 20 0 EHADRM CC(C)(C)Sc1ccc(NC(=S)NCCCC(=O)[O-])cc1 ZINC000736285939 599912115 /nfs/dbraw/zinc/91/21/15/599912115.db2.gz FIOCYIRHWAGLLL-UHFFFAOYSA-N -1 0 326.487 3.728 20 0 EHADRM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1 ZINC000485671435 599913629 /nfs/dbraw/zinc/91/36/29/599913629.db2.gz YHBRMKACCMIHAW-KBPBESRZSA-N -1 0 333.746 3.805 20 0 EHADRM COc1ccc(NC(=O)C[C@@H](C)c2ccccc2F)c(C(=O)[O-])c1 ZINC000738028421 599914620 /nfs/dbraw/zinc/91/46/20/599914620.db2.gz RDOGBTDAHRHNDL-LLVKDONJSA-N -1 0 331.343 3.665 20 0 EHADRM Cc1cc(NC(=O)C(C)(C)Oc2ccc(F)cc2)ccc1C(=O)[O-] ZINC000237686916 599917492 /nfs/dbraw/zinc/91/74/92/599917492.db2.gz KRQPAWHHWMVPKI-UHFFFAOYSA-N -1 0 331.343 3.628 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])cc1)c1cccc(OC(F)(F)F)c1 ZINC000537367193 599919009 /nfs/dbraw/zinc/91/90/09/599919009.db2.gz DCBBFQTUGJSZFL-UHFFFAOYSA-N -1 0 339.269 3.560 20 0 EHADRM C[C@@H](CN(C(=O)CCc1ccc(C(C)(C)C)cc1)C1CC1)C(=O)[O-] ZINC000237433829 599921504 /nfs/dbraw/zinc/92/15/04/599921504.db2.gz YHHFBKMEHUVONG-AWEZNQCLSA-N -1 0 331.456 3.628 20 0 EHADRM C[C@H](CN(C(=O)c1ccc(-c2ccc(F)cc2)s1)C1CC1)C(=O)[O-] ZINC000237382355 599922721 /nfs/dbraw/zinc/92/27/21/599922721.db2.gz WXJDWKHRIXQWED-LLVKDONJSA-N -1 0 347.411 3.880 20 0 EHADRM CCC[C@](C)(NC(=O)[C@@H](CC)Oc1ccccc1C(C)C)C(=O)[O-] ZINC000736955063 599928374 /nfs/dbraw/zinc/92/83/74/599928374.db2.gz YMKFCRYFLNWXTI-BEFAXECRSA-N -1 0 335.444 3.727 20 0 EHADRM C[C@@H](CNC(=O)c1cc2c(s1)-c1ccccc1C(C)(C)C2)C(=O)[O-] ZINC000736600373 599929425 /nfs/dbraw/zinc/92/94/25/599929425.db2.gz FCEQUTVEQHQZKN-NSHDSACASA-N -1 0 343.448 3.699 20 0 EHADRM Cc1cc(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)c(C)n1C1CCCCC1 ZINC000237377364 599930913 /nfs/dbraw/zinc/93/09/13/599930913.db2.gz QYFIECYDHCAXKD-CYBMUJFWSA-N -1 0 346.471 3.935 20 0 EHADRM CC(C)(C)Sc1ccc(NC(=O)c2ccc(C(=O)[O-])cn2)cc1 ZINC000736288699 599931930 /nfs/dbraw/zinc/93/19/30/599931930.db2.gz XNLKTDBPEMNJCW-UHFFFAOYSA-N -1 0 330.409 3.923 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000531999229 599933502 /nfs/dbraw/zinc/93/35/02/599933502.db2.gz QYFADPNLGJJDPJ-AWEZNQCLSA-N -1 0 346.452 3.911 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)CCc1cccc(Cl)c1)c1ccccc1 ZINC000139375787 599934065 /nfs/dbraw/zinc/93/40/65/599934065.db2.gz LZDSZEUOOSKTAR-QGZVFWFLSA-N -1 0 345.826 3.995 20 0 EHADRM Cc1ccc(CCC(=O)N[C@H](CCC(=O)[O-])c2ccccc2)c(C)c1 ZINC000362345359 599934678 /nfs/dbraw/zinc/93/46/78/599934678.db2.gz FGIBNDLQOZKBDF-LJQANCHMSA-N -1 0 339.435 3.958 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)c1ccnc2ccccc21)c1ccccc1 ZINC000327041195 599935000 /nfs/dbraw/zinc/93/50/00/599935000.db2.gz NHUAFBKSUPAXAR-QGZVFWFLSA-N -1 0 334.375 3.571 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)/C=C/c1ccccc1F)c1ccccc1 ZINC000324252947 599936266 /nfs/dbraw/zinc/93/62/66/599936266.db2.gz UEBQEIHVZADAQQ-DPCFLFMUSA-N -1 0 327.355 3.561 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccccc1 ZINC000193451981 599937832 /nfs/dbraw/zinc/93/78/32/599937832.db2.gz BQPJDIOSIBEXGC-MRXNPFEDSA-N -1 0 331.799 3.605 20 0 EHADRM O=C([O-])CCCNC(=O)[C@@H](Sc1ccccc1F)c1ccccc1 ZINC000428102246 599939242 /nfs/dbraw/zinc/93/92/42/599939242.db2.gz MMOSDHKENAWFMT-KRWDZBQOSA-N -1 0 347.411 3.640 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000237839701 599950408 /nfs/dbraw/zinc/95/04/08/599950408.db2.gz WNPXNGVBHIMREQ-UHFFFAOYSA-N -1 0 325.364 3.603 20 0 EHADRM CCc1ccc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)s1 ZINC000737255939 599953073 /nfs/dbraw/zinc/95/30/73/599953073.db2.gz DOPWUWISHVTAKN-UHFFFAOYSA-N -1 0 335.450 3.881 20 0 EHADRM CCC[C@H](NC(=O)NCCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000263221644 599953196 /nfs/dbraw/zinc/95/31/96/599953196.db2.gz KUHCDKQVWQHLDU-ZDUSSCGKSA-N -1 0 346.349 3.711 20 0 EHADRM COc1cc(C)c(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)cc1OC ZINC000066746340 599968432 /nfs/dbraw/zinc/96/84/32/599968432.db2.gz NEVUZSHBURXXHM-RMKNXTFCSA-N -1 0 326.348 3.607 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)[C@@H](C)c1ccccc1F)C(=O)[O-] ZINC000237401000 599971644 /nfs/dbraw/zinc/97/16/44/599971644.db2.gz CJWNZNBVSDYOTN-CABCVRRESA-N -1 0 343.398 3.679 20 0 EHADRM Cc1oc(CN(C)c2cccc(OC(F)(F)F)c2)cc1C(=O)[O-] ZINC000738978276 599979326 /nfs/dbraw/zinc/97/93/26/599979326.db2.gz GXDGAVRKCHZSLS-UHFFFAOYSA-N -1 0 329.274 3.821 20 0 EHADRM Cc1nc(Cl)cc(Oc2ccc(C(=O)[O-])cc2Br)n1 ZINC000738859374 599993177 /nfs/dbraw/zinc/99/31/77/599993177.db2.gz QDDQFXGSGSTLDE-UHFFFAOYSA-N -1 0 343.564 3.691 20 0 EHADRM Cc1c(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)cccc1C(=O)[O-] ZINC000678976546 599995620 /nfs/dbraw/zinc/99/56/20/599995620.db2.gz ZIIRRVHWOLUQMH-CHWSQXEVSA-N -1 0 331.318 3.714 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)ccc1C(=O)[O-] ZINC000237815123 599996961 /nfs/dbraw/zinc/99/69/61/599996961.db2.gz CQNOMKQUHROXQM-UONOGXRCSA-N -1 0 331.318 3.714 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)c2c[nH]c3cc(Cl)ccc23)c1 ZINC000739843044 599997518 /nfs/dbraw/zinc/99/75/18/599997518.db2.gz XOVHLVORSVGRMI-UHFFFAOYSA-N -1 0 344.754 3.537 20 0 EHADRM Cn1ccc2c1cccc2NC(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000739040209 600001047 /nfs/dbraw/zinc/00/10/47/600001047.db2.gz TVKRKPGEXZXCBD-CYBMUJFWSA-N -1 0 343.408 3.577 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2csc3c2CC[C@@H](C)C3)c1 ZINC000325587899 600003487 /nfs/dbraw/zinc/00/34/87/600003487.db2.gz DZIUXVGAALWAKG-SNVBAGLBSA-N -1 0 345.420 3.832 20 0 EHADRM O=C([O-])c1ccc(OCc2nnc(-c3cccc(Cl)c3)o2)cc1 ZINC000738688763 600005166 /nfs/dbraw/zinc/00/51/66/600005166.db2.gz FBWMFDNZIUTWEG-UHFFFAOYSA-N -1 0 330.727 3.667 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(c1ncnc3c4ccccc4oc31)C2 ZINC000740202182 600006123 /nfs/dbraw/zinc/00/61/23/600006123.db2.gz APUIZEMJOLWWSL-UHFFFAOYSA-N -1 0 331.331 3.594 20 0 EHADRM C[C@H](NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000326364218 600012353 /nfs/dbraw/zinc/01/23/53/600012353.db2.gz HSQZXGHNKVGWRP-NSHDSACASA-N -1 0 344.798 3.825 20 0 EHADRM O=C([O-])/C(=C\c1ccc(OC(F)F)c(Cl)c1)c1ccncc1 ZINC000739491401 600017064 /nfs/dbraw/zinc/01/70/64/600017064.db2.gz ZMCMEXNOGKGIRZ-XFFZJAGNSA-N -1 0 325.698 3.962 20 0 EHADRM CC(C)[C@H]1CCCN1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000736397111 600018229 /nfs/dbraw/zinc/01/82/29/600018229.db2.gz ZSKZYUMRVJBCFE-OAHLLOKOSA-N -1 0 336.457 3.657 20 0 EHADRM CCN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1cc(C(=O)[O-])c(C)o1 ZINC000737112735 600018824 /nfs/dbraw/zinc/01/88/24/600018824.db2.gz XBCBBTMWUSJBPC-AWEZNQCLSA-N -1 0 334.759 3.526 20 0 EHADRM C[C@H](OC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccc(C(=O)[O-])o1 ZINC000736685192 600020714 /nfs/dbraw/zinc/02/07/14/600020714.db2.gz OOMQFLDTCYHAEY-LSJOCFKGSA-N -1 0 336.290 3.664 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)N2CCCCCCC2)c1 ZINC000739872444 600021242 /nfs/dbraw/zinc/02/12/42/600021242.db2.gz KHRZPFFJRHIQQQ-UHFFFAOYSA-N -1 0 336.457 3.802 20 0 EHADRM CC(C)Cc1ccc(CC(=O)Oc2cccc(CC(=O)[O-])c2)cc1 ZINC000736452757 600024269 /nfs/dbraw/zinc/02/42/69/600024269.db2.gz FJUMPPLJLCPGIV-UHFFFAOYSA-N -1 0 326.392 3.660 20 0 EHADRM Cc1ccc(Cl)c(O[C@H](C)C(=O)Oc2cccc(CC(=O)[O-])c2)c1 ZINC000738603223 600024987 /nfs/dbraw/zinc/02/49/87/600024987.db2.gz SDPZTZFBMSYVRI-GFCCVEGCSA-N -1 0 348.782 3.648 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC000263465364 600027529 /nfs/dbraw/zinc/02/75/29/600027529.db2.gz GALZJBAAAQDAMZ-UHFFFAOYSA-N -1 0 348.443 3.876 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(C)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000261798501 600031420 /nfs/dbraw/zinc/03/14/20/600031420.db2.gz UPRBFCNTIVHHCX-HIFPTAJRSA-N -1 0 338.835 3.686 20 0 EHADRM CN(Cc1c(F)cccc1Cl)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237244797 600033813 /nfs/dbraw/zinc/03/38/13/600033813.db2.gz HANQOIJDGQOCNU-UHFFFAOYSA-N -1 0 349.789 3.769 20 0 EHADRM Cc1cc(C)c(NC(=S)NC2CCC(C(=O)[O-])CC2)c(Cl)c1 ZINC000738357240 600033795 /nfs/dbraw/zinc/03/37/95/600033795.db2.gz CCIMKOKQHZOSNU-UHFFFAOYSA-N -1 0 340.876 3.887 20 0 EHADRM COc1ccccc1C/C(C)=C/C(=O)Nc1ccccc1C(=O)[O-] ZINC000738125243 600035153 /nfs/dbraw/zinc/03/51/53/600035153.db2.gz ZOZMADUVBIIUTN-OUKQBFOZSA-N -1 0 325.364 3.521 20 0 EHADRM CN(C(=O)CCc1ccc(C(=O)[O-])cc1)c1nc2ccccc2s1 ZINC000737319243 600037062 /nfs/dbraw/zinc/03/70/62/600037062.db2.gz HNYUGXZNVOWJBM-UHFFFAOYSA-N -1 0 340.404 3.590 20 0 EHADRM COc1cccc([C@H]2C[C@H]2C(=O)Nc2ccc(Cl)cc2C(=O)[O-])c1 ZINC000738097834 600037992 /nfs/dbraw/zinc/03/79/92/600037992.db2.gz XRRBIPZKKVEPET-ZIAGYGMSSA-N -1 0 345.782 3.789 20 0 EHADRM CCOc1cc(C)ccc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237046089 600040024 /nfs/dbraw/zinc/04/00/24/600040024.db2.gz XGFIVWFQBQFDJX-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000739485063 600040782 /nfs/dbraw/zinc/04/07/82/600040782.db2.gz JUURPRUTDWDENC-UHFFFAOYSA-N -1 0 349.268 3.590 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)CCc1cccc(Cl)c1)C2 ZINC000740188918 600042371 /nfs/dbraw/zinc/04/23/71/600042371.db2.gz PDSPJWFHXQUPKW-UHFFFAOYSA-N -1 0 329.783 3.513 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)NCc2cc3ccccc3s2)cc1 ZINC000739255978 600042549 /nfs/dbraw/zinc/04/25/49/600042549.db2.gz MQPYFLRHAFQISI-UHFFFAOYSA-N -1 0 339.416 3.849 20 0 EHADRM Cc1ccc(CCC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1Cl ZINC000326364690 600043682 /nfs/dbraw/zinc/04/36/82/600043682.db2.gz SPLIWVHHWBQAGJ-UHFFFAOYSA-N -1 0 343.810 3.822 20 0 EHADRM C[C@@H](CN(C)C(=O)CCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000262624416 600043858 /nfs/dbraw/zinc/04/38/58/600043858.db2.gz NJCRBZINESMRKN-HNNXBMFYSA-N -1 0 325.408 3.580 20 0 EHADRM C/C(=C\C(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccccc1Cl ZINC000736121740 600043952 /nfs/dbraw/zinc/04/39/52/600043952.db2.gz TUFXSYIVRGNRET-XYOKQWHBSA-N -1 0 341.794 3.984 20 0 EHADRM CCOc1cc(NC(=O)CCc2ccc(C(=O)[O-])cc2)ccc1C ZINC000678989084 600044036 /nfs/dbraw/zinc/04/40/36/600044036.db2.gz DZUWSCWQDIYMGZ-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1ccc(Cl)cc1Cl)C2 ZINC000317054493 600044575 /nfs/dbraw/zinc/04/45/75/600044575.db2.gz UHTXJIAJLISYGQ-UHFFFAOYSA-N -1 0 336.174 3.848 20 0 EHADRM COc1ccc([C@H](C)OC(=O)c2cccc(C(=O)[O-])c2)cc1Cl ZINC000737951888 600057248 /nfs/dbraw/zinc/05/72/48/600057248.db2.gz YHNZRIKNJDPPAN-JTQLQIEISA-N -1 0 334.755 3.965 20 0 EHADRM COC(=O)c1ccc(OCc2ccc(F)cc2C(=O)[O-])c(Cl)c1 ZINC000737699444 600057926 /nfs/dbraw/zinc/05/79/26/600057926.db2.gz BWMZGSVMECFZPG-UHFFFAOYSA-N -1 0 338.718 3.543 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1C(=O)Oc1ccccc1-c1nc2ccccc2s1 ZINC000739561029 600061000 /nfs/dbraw/zinc/06/10/00/600061000.db2.gz UREDQCMCEZWIFG-VXGBXAGGSA-N -1 0 339.372 3.589 20 0 EHADRM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1ccccc1-c1nc2ccccc2s1 ZINC000739552728 600061731 /nfs/dbraw/zinc/06/17/31/600061731.db2.gz KDXSMJKUZFUQGA-NEPJUHHUSA-N -1 0 338.388 3.623 20 0 EHADRM CC/C(=C/C(=O)Nc1ccc(OCC(=O)[O-])cc1C)c1ccccc1 ZINC000736837454 600062388 /nfs/dbraw/zinc/06/23/88/600062388.db2.gz XLIWRLLFKULXLA-QINSGFPZSA-N -1 0 339.391 3.891 20 0 EHADRM Cc1ccccc1CCC(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000485759898 600062911 /nfs/dbraw/zinc/06/29/11/600062911.db2.gz ZADOGOVYTCSPOC-KRWDZBQOSA-N -1 0 339.435 3.677 20 0 EHADRM Cc1ccccc1-c1nc(C(=O)NCCCCCCC(=O)[O-])cs1 ZINC000237688832 600065384 /nfs/dbraw/zinc/06/53/84/600065384.db2.gz RAWJUYSRECVWKD-UHFFFAOYSA-N -1 0 346.452 3.883 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000738121466 600076996 /nfs/dbraw/zinc/07/69/96/600076996.db2.gz QGICXXCXYNNOEI-OUKQBFOZSA-N -1 0 340.379 3.851 20 0 EHADRM CC(C)c1ccccc1NC(=O)[C@H](C)Oc1ccc(C(=O)[O-])cc1 ZINC000013414028 600077053 /nfs/dbraw/zinc/07/70/53/600077053.db2.gz JMKWYEPOTWLZBC-ZDUSSCGKSA-N -1 0 327.380 3.914 20 0 EHADRM C/C(=C/C(=O)N[C@H](C(=O)[O-])c1cccs1)c1ccccc1Cl ZINC000736120927 600080636 /nfs/dbraw/zinc/08/06/36/600080636.db2.gz LZSIROXBJPFUTL-KVPUOBJLSA-N -1 0 335.812 3.747 20 0 EHADRM Cc1csc(Sc2ccc(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])c(C)c2)n1 ZINC000738819377 600081063 /nfs/dbraw/zinc/08/10/63/600081063.db2.gz ABDWQEKPTNRXCB-NEPJUHHUSA-N -1 0 348.449 3.570 20 0 EHADRM CCc1[nH]c(C(=O)Nc2cc(F)ccc2OC(C)C)c(C)c1C(=O)[O-] ZINC000737244536 600084427 /nfs/dbraw/zinc/08/44/27/600084427.db2.gz OUFIALQGUOGETC-UHFFFAOYSA-N -1 0 348.374 3.762 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(Cc1coc(-c3cccs3)n1)C2 ZINC000321990545 600088642 /nfs/dbraw/zinc/08/86/42/600088642.db2.gz KSSPFXBZQWFSIX-UHFFFAOYSA-N -1 0 326.377 3.617 20 0 EHADRM CCN(CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)c1cccc(Cl)c1 ZINC000737079129 600088800 /nfs/dbraw/zinc/08/88/00/600088800.db2.gz KNPTWLCWCUUMFT-UHFFFAOYSA-N -1 0 334.803 3.692 20 0 EHADRM O=C([O-])CCC(=O)N[C@H](Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000739656852 600092050 /nfs/dbraw/zinc/09/20/50/600092050.db2.gz UKHLKGPPCGEBPH-MRXNPFEDSA-N -1 0 337.847 3.812 20 0 EHADRM C[C@@H](OC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1F ZINC000736693004 600092374 /nfs/dbraw/zinc/09/23/74/600092374.db2.gz LXVWSCGWDWGZNP-LLVKDONJSA-N -1 0 334.318 3.900 20 0 EHADRM O=C([O-])c1ccc(-c2nc(-c3c(Cl)cccc3Cl)no2)nc1 ZINC000740098177 600107764 /nfs/dbraw/zinc/10/77/64/600107764.db2.gz MNSCWZOVXZLQRO-UHFFFAOYSA-N -1 0 336.134 3.804 20 0 EHADRM CC(C)CC(CC(C)C)NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000736403848 600108663 /nfs/dbraw/zinc/10/86/63/600108663.db2.gz LMVKLEJCCVLPMV-UHFFFAOYSA-N -1 0 334.460 3.987 20 0 EHADRM Cc1nc(C(C)C)sc1-c1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000738840817 600111769 /nfs/dbraw/zinc/11/17/69/600111769.db2.gz KJCJDPXOGYQQLN-UHFFFAOYSA-N -1 0 329.381 3.990 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000740079239 600113231 /nfs/dbraw/zinc/11/32/31/600113231.db2.gz MKXUHTHMNHDXBN-GOEBONIOSA-N -1 0 332.302 3.510 20 0 EHADRM Cn1c(Cl)c(Cl)cc1C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000739012877 600114012 /nfs/dbraw/zinc/11/40/12/600114012.db2.gz SVNGATKVPHSTBJ-UHFFFAOYSA-N -1 0 346.141 3.526 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Nc1ccc2[nH]ccc2c1)c1cccs1 ZINC000739627096 600121172 /nfs/dbraw/zinc/12/11/72/600121172.db2.gz GQQALIKBAPLWLE-ZDUSSCGKSA-N -1 0 329.381 3.567 20 0 EHADRM CCc1ccc(CCC(=O)Oc2ccc(C(=O)[O-])cc2C(C)=O)cc1 ZINC000737260443 600123644 /nfs/dbraw/zinc/12/36/44/600123644.db2.gz MLDBYICCYOAEJZ-UHFFFAOYSA-N -1 0 340.375 3.688 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000737862864 600125255 /nfs/dbraw/zinc/12/52/55/600125255.db2.gz ABWWBAUKKUTJEF-UHFFFAOYSA-N -1 0 337.331 3.608 20 0 EHADRM CCc1cccc(C)c1NC(=O)CNc1ccc(F)c(NC(=O)[O-])c1 ZINC000737267268 600127213 /nfs/dbraw/zinc/12/72/13/600127213.db2.gz NYPVBURNOIAKSV-UHFFFAOYSA-N -1 0 345.374 3.837 20 0 EHADRM Cc1cc(C)cc(NC(=O)CNc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000738363948 600127284 /nfs/dbraw/zinc/12/72/84/600127284.db2.gz LLUSGAZKDMRCMD-UHFFFAOYSA-N -1 0 331.347 3.583 20 0 EHADRM Cc1cc(CN2C[C@@H](c3ccccc3)OCC2(C)C)oc1C(=O)[O-] ZINC000581077758 600145009 /nfs/dbraw/zinc/14/50/09/600145009.db2.gz NXRYTVRBBJBBIR-INIZCTEOSA-N -1 0 329.396 3.638 20 0 EHADRM C[C@@H](NC(=S)Nc1ccc(CCC(=O)[O-])cc1)c1ccccc1 ZINC000736660353 600149185 /nfs/dbraw/zinc/14/91/85/600149185.db2.gz IBDQYZFROXBLBI-CYBMUJFWSA-N -1 0 328.437 3.751 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)/C=C/Sc2ccccc2)C(=O)[O-])cc1 ZINC000738554595 600161755 /nfs/dbraw/zinc/16/17/55/600161755.db2.gz QDXGQGGWIGBAKE-FMQWLBJXSA-N -1 0 341.432 3.585 20 0 EHADRM CCc1ccc([C@H](C)C(=O)NC[C@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000486385544 600163513 /nfs/dbraw/zinc/16/35/13/600163513.db2.gz HZWVGGBCEVISRY-KXBFYZLASA-N -1 0 339.435 3.646 20 0 EHADRM O=C([O-])CCCCCNC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000414609138 600163918 /nfs/dbraw/zinc/16/39/18/600163918.db2.gz JAWTWONJVXGNIU-QGZVFWFLSA-N -1 0 336.407 3.611 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)/C=C/c2ccc(Cl)s2)C(=O)[O-])cc1 ZINC000738552999 600164709 /nfs/dbraw/zinc/16/47/09/600164709.db2.gz DOASEQSNNHLFOZ-RCQQVGEISA-N -1 0 349.839 3.708 20 0 EHADRM CCc1ccc(C(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)cc1 ZINC000237134841 600167025 /nfs/dbraw/zinc/16/70/25/600167025.db2.gz OCEIYSNQOZNYTL-UHFFFAOYSA-N -1 0 347.361 3.644 20 0 EHADRM Cc1ccc([C@@H](CNc2ncnc3c4ccccc4oc32)C(=O)[O-])cc1 ZINC000738568123 600167337 /nfs/dbraw/zinc/16/73/37/600167337.db2.gz HODDFMSNAZELQP-OAHLLOKOSA-N -1 0 347.374 3.965 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)C[C@@H]1CCc2ccccc21 ZINC000739222411 600178384 /nfs/dbraw/zinc/17/83/84/600178384.db2.gz LYEMPVJZKDPHNN-ZDUSSCGKSA-N -1 0 328.339 3.687 20 0 EHADRM CCN(C(=O)Nc1cccc(NC(=O)[O-])c1)[C@@H](C)c1cccnc1 ZINC000737058066 600182206 /nfs/dbraw/zinc/18/22/06/600182206.db2.gz KUJTWTFFNHORLJ-LBPRGKRZSA-N -1 0 328.372 3.787 20 0 EHADRM CCN(C(=O)Nc1ccc(CCC(=O)[O-])cc1)[C@H](C)c1cccnc1 ZINC000737058845 600183227 /nfs/dbraw/zinc/18/32/27/600183227.db2.gz VMCMBFAGPSXVFX-CQSZACIVSA-N -1 0 341.411 3.714 20 0 EHADRM Cc1ccc(NC(=S)N2C[C@@H](C(=O)[O-])c3ccccc32)cc1F ZINC000738628914 600188773 /nfs/dbraw/zinc/18/87/73/600188773.db2.gz VGEYUNNWQKLFDI-CYBMUJFWSA-N -1 0 330.384 3.519 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000237024882 600193341 /nfs/dbraw/zinc/19/33/41/600193341.db2.gz CEVZAWHTLYXIRT-KRWDZBQOSA-N -1 0 343.448 3.914 20 0 EHADRM CC(C)c1ocnc1C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000736530265 600195008 /nfs/dbraw/zinc/19/50/08/600195008.db2.gz DBFJOCFWDXUEQJ-UHFFFAOYSA-N -1 0 342.273 3.767 20 0 EHADRM O=C([O-])NCCCC(=O)OCC(=O)c1ccc(C2CCCCC2)cc1 ZINC000739974440 600198324 /nfs/dbraw/zinc/19/83/24/600198324.db2.gz GXBNEHRVGJWYOC-UHFFFAOYSA-N -1 0 347.411 3.508 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCCOCCc2ccccc2)c(F)c1 ZINC000261907191 600199282 /nfs/dbraw/zinc/19/92/82/600199282.db2.gz GABWLZDAQGANOD-UHFFFAOYSA-N -1 0 345.370 3.502 20 0 EHADRM C[C@H]1CCc2c(C(=O)Nc3ccc(C(=O)[O-])cc3F)csc2C1 ZINC000320591734 600199390 /nfs/dbraw/zinc/19/93/90/600199390.db2.gz VUPOLDIFYKZZEQ-VIFPVBQESA-N -1 0 333.384 3.963 20 0 EHADRM CC(C)Cc1ccc(CC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000479359326 600200719 /nfs/dbraw/zinc/20/07/19/600200719.db2.gz BUZKVIMUHSNIBT-UHFFFAOYSA-N -1 0 329.371 3.904 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc3[nH]c(C(F)F)nc3c2)c(F)c1 ZINC000560319548 600201103 /nfs/dbraw/zinc/20/11/03/600201103.db2.gz OUBHQGOFLNKJKJ-UHFFFAOYSA-N -1 0 349.268 3.590 20 0 EHADRM Cc1ccsc1[C@@H]1NC(=O)N(Cc2cccs2)C(C)=C1C(=O)[O-] ZINC000736749116 600205927 /nfs/dbraw/zinc/20/59/27/600205927.db2.gz XHNUKFFJURSUCT-CYBMUJFWSA-N -1 0 348.449 3.743 20 0 EHADRM C[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1cccs1)c1cccc(F)c1 ZINC000237372820 600206341 /nfs/dbraw/zinc/20/63/41/600206341.db2.gz OPELEIAWTXGIJI-RISCZKNCSA-N -1 0 335.400 3.713 20 0 EHADRM Cc1ccc(COc2cccc(NC(=O)C(C)(C)NC(=O)[O-])c2)cc1 ZINC000738604156 600206801 /nfs/dbraw/zinc/20/68/01/600206801.db2.gz YCDWNIRYTSVILT-UHFFFAOYSA-N -1 0 342.395 3.559 20 0 EHADRM Cc1c(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)cccc1C(=O)[O-] ZINC000675966731 600206943 /nfs/dbraw/zinc/20/69/43/600206943.db2.gz SSHPGFJJYZLWPO-VXGBXAGGSA-N -1 0 331.318 3.714 20 0 EHADRM CC(C)N(C(=O)CNc1cc(Cl)cc(C(=O)[O-])c1)c1ccccc1 ZINC000736455461 600207666 /nfs/dbraw/zinc/20/76/66/600207666.db2.gz RJTBNVUCFFIEMY-UHFFFAOYSA-N -1 0 346.814 3.892 20 0 EHADRM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1cccc(C(=O)[O-])c1 ZINC000736903483 600211125 /nfs/dbraw/zinc/21/11/25/600211125.db2.gz JXCLQAZGVPNVHS-INIZCTEOSA-N -1 0 331.799 3.789 20 0 EHADRM Cc1ccc(-c2nc(CN(C)[C@@H](C(=O)[O-])c3ccccc3)cs2)o1 ZINC000738489578 600214020 /nfs/dbraw/zinc/21/40/20/600214020.db2.gz BGOBVPHIJVCZFI-MRXNPFEDSA-N -1 0 342.420 3.969 20 0 EHADRM O=C([O-])c1ccc(NC(=O)/C=C/c2cccs2)c(OC(F)F)c1 ZINC000739216524 600214341 /nfs/dbraw/zinc/21/43/41/600214341.db2.gz SSVSUKULCYNQGV-GQCTYLIASA-N -1 0 339.319 3.700 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)o1 ZINC000393051081 600216719 /nfs/dbraw/zinc/21/67/19/600216719.db2.gz LGUQNFIDNLTJAJ-UHOFOFEASA-N -1 0 339.391 3.551 20 0 EHADRM Cc1oc(CN2CCSC[C@H]2c2ccc(C)cc2)cc1C(=O)[O-] ZINC000579602434 600217880 /nfs/dbraw/zinc/21/78/80/600217880.db2.gz DCGLLMIRQMTLBC-KRWDZBQOSA-N -1 0 331.437 3.885 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2ccccc2C(F)(F)F)c2ccccc21 ZINC000391683912 600221309 /nfs/dbraw/zinc/22/13/09/600221309.db2.gz ZLSLXJBHSZYDPG-LBPRGKRZSA-N -1 0 335.281 3.534 20 0 EHADRM Cc1cc(C)cc(C2(C(=O)N3C[C@H](C(=O)[O-])c4ccccc43)CC2)c1 ZINC000738363933 600225201 /nfs/dbraw/zinc/22/52/01/600225201.db2.gz OYZPRISDLUMHJM-KRWDZBQOSA-N -1 0 335.403 3.550 20 0 EHADRM CC(=O)Nc1ccc(C)c(NC(=O)Nc2cccc(NC(=O)[O-])c2)c1 ZINC000736162456 600228529 /nfs/dbraw/zinc/22/85/29/600228529.db2.gz QIJMXWQDABIRBS-UHFFFAOYSA-N -1 0 342.355 3.687 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)Nc2cc(C(=O)[O-])ccc2C)o1 ZINC000738582557 600233747 /nfs/dbraw/zinc/23/37/47/600233747.db2.gz KSVAAOYKPXAGCV-OAHLLOKOSA-N -1 0 328.368 3.964 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Nc2cccc(OC(F)F)c2)c(F)c1 ZINC000739484850 600234292 /nfs/dbraw/zinc/23/42/92/600234292.db2.gz GSFUTUDGBJMBOP-UHFFFAOYSA-N -1 0 340.257 3.769 20 0 EHADRM CC(C)[C@@H](OC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccccn1 ZINC000736389497 600242656 /nfs/dbraw/zinc/24/26/56/600242656.db2.gz IXLKGFVDHFAQBX-GOSISDBHSA-N -1 0 327.380 3.653 20 0 EHADRM COc1ccc2[nH]cc(Cc3nc(-c4ccc(C(=O)[O-])cc4)no3)c2c1 ZINC000738071921 600244896 /nfs/dbraw/zinc/24/48/96/600244896.db2.gz CWIYUFBVAMDPIG-UHFFFAOYSA-N -1 0 349.346 3.516 20 0 EHADRM CC(C)[C@@H](NC(=O)c1cc(-c2ccccc2)ccc1Cl)C(=O)[O-] ZINC000236708272 600246861 /nfs/dbraw/zinc/24/68/61/600246861.db2.gz ILLDJINETOXWLW-MRXNPFEDSA-N -1 0 331.799 3.846 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)[C@H](C)SCc1ccccc1 ZINC000738084260 600247857 /nfs/dbraw/zinc/24/78/57/600247857.db2.gz FXGGGHHQAGVYSD-LBPRGKRZSA-N -1 0 346.404 3.621 20 0 EHADRM O=C([O-])CCCCNC(=O)c1cc(-c2ccccc2)ccc1Cl ZINC000237919851 600248923 /nfs/dbraw/zinc/24/89/23/600248923.db2.gz XXIIDFGINSGERH-UHFFFAOYSA-N -1 0 331.799 3.992 20 0 EHADRM CC(C)(C(=O)N1C[C@H](C(=O)[O-])c2ccccc21)c1cccc(Cl)c1 ZINC000736223599 600251542 /nfs/dbraw/zinc/25/15/42/600251542.db2.gz LYRYIIOXBXYLDB-HNNXBMFYSA-N -1 0 343.810 3.833 20 0 EHADRM Cc1cc(NC(=O)c2cccc(OC3CCCC3)c2)c(C(=O)[O-])[nH]1 ZINC000738452074 600252965 /nfs/dbraw/zinc/25/29/65/600252965.db2.gz SXNSBZLBNCUQOJ-UHFFFAOYSA-N -1 0 328.368 3.595 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C)Oc2cc(C(C)C)ccc2C)c(C(=O)[O-])[nH]1 ZINC000738419194 600256595 /nfs/dbraw/zinc/25/65/95/600256595.db2.gz WTZLJDAUCCUYLW-CYBMUJFWSA-N -1 0 344.411 3.859 20 0 EHADRM CC(C)c1ccc(CCCNC(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000736514547 600259250 /nfs/dbraw/zinc/25/92/50/600259250.db2.gz VTKAFAKJPXDICA-UHFFFAOYSA-N -1 0 331.437 3.932 20 0 EHADRM CCO[C@H](C)c1nc(COc2cc(OC)ccc2C(=O)[O-])cs1 ZINC000737158426 600259939 /nfs/dbraw/zinc/25/99/39/600259939.db2.gz RBMXLMVKNSGYKM-SNVBAGLBSA-N -1 0 337.397 3.526 20 0 EHADRM C[C@@H](COC(=O)Cn1cc(C(=O)[O-])c2ccccc21)c1ccccc1 ZINC000736607049 600266447 /nfs/dbraw/zinc/26/64/47/600266447.db2.gz ODOXYUVNEXQAQQ-AWEZNQCLSA-N -1 0 337.375 3.686 20 0 EHADRM CC(C)c1ccc(SCC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000262462895 600275379 /nfs/dbraw/zinc/27/53/79/600275379.db2.gz RAYILEJPGBXNIS-INIZCTEOSA-N -1 0 347.480 3.615 20 0 EHADRM C[C@@H](Sc1nc2ccc(C(=O)[O-])cc2o1)C(=O)c1ccccc1 ZINC000736719049 600275525 /nfs/dbraw/zinc/27/55/25/600275525.db2.gz XHMZHWKDWBKDRG-SNVBAGLBSA-N -1 0 327.361 3.890 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)cc1 ZINC000738683596 600275620 /nfs/dbraw/zinc/27/56/20/600275620.db2.gz PGQNVVMHRILMBZ-CQSZACIVSA-N -1 0 342.370 3.620 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000262369273 600275713 /nfs/dbraw/zinc/27/57/13/600275713.db2.gz ANQYDQKJHRKBOH-ZDUSSCGKSA-N -1 0 347.798 3.722 20 0 EHADRM COc1cccc(C(=O)CSc2nc3ccc(C(=O)[O-])cc3o2)c1 ZINC000738084553 600275922 /nfs/dbraw/zinc/27/59/22/600275922.db2.gz YORGXYWOQLZULK-UHFFFAOYSA-N -1 0 343.360 3.510 20 0 EHADRM Cc1cccn2cc(CSc3nc4ccc(C(=O)[O-])cc4o3)nc12 ZINC000738787618 600277163 /nfs/dbraw/zinc/27/71/63/600277163.db2.gz YWOFPHLHFOLWNZ-UHFFFAOYSA-N -1 0 339.376 3.774 20 0 EHADRM COC(=O)c1ccc2nc(SCc3ccccc3C(=O)[O-])oc2c1 ZINC000737709419 600278295 /nfs/dbraw/zinc/27/82/95/600278295.db2.gz SOELWFCUASQPIT-UHFFFAOYSA-N -1 0 343.360 3.605 20 0 EHADRM O=C([O-])c1ccc2nc(SCC(=O)c3ccc(F)cc3)oc2c1 ZINC000740212363 600279081 /nfs/dbraw/zinc/27/90/81/600279081.db2.gz IFXHSYPFYCDYFC-UHFFFAOYSA-N -1 0 331.324 3.640 20 0 EHADRM Cc1ccccc1NC(=S)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000738778163 600279822 /nfs/dbraw/zinc/27/98/22/600279822.db2.gz MHGBDAHTOALQED-UHFFFAOYSA-N -1 0 329.425 3.914 20 0 EHADRM COc1cccc(NC(=S)Nc2ccc(CN(C)C(=O)[O-])cc2)c1 ZINC000738107326 600279827 /nfs/dbraw/zinc/27/98/27/600279827.db2.gz YDEIIMDZADHDFA-UHFFFAOYSA-N -1 0 345.424 3.614 20 0 EHADRM CN(Cc1ccc(NC(=O)Cc2ccccc2Cl)cc1)C(=O)[O-] ZINC000737478229 600282654 /nfs/dbraw/zinc/28/26/54/600282654.db2.gz GDCFYGKDOUMCDG-UHFFFAOYSA-N -1 0 332.787 3.631 20 0 EHADRM CN(Cc1ccc(NC(=O)CCCOc2ccccc2)cc1)C(=O)[O-] ZINC000737479303 600282726 /nfs/dbraw/zinc/28/27/26/600282726.db2.gz SQUSESKRDSHYML-UHFFFAOYSA-N -1 0 342.395 3.594 20 0 EHADRM COc1ccccc1CN(C)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000325592126 600283218 /nfs/dbraw/zinc/28/32/18/600283218.db2.gz CCXGGXWNBZGRAO-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM COc1ccccc1[C@H](C)NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000738122214 600283916 /nfs/dbraw/zinc/28/39/16/600283916.db2.gz XICPHBIGZYOLDR-JTQLQIEISA-N -1 0 348.786 3.930 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)NC2(c3ccccc3)CC2)c1 ZINC000739461476 600285840 /nfs/dbraw/zinc/28/58/40/600285840.db2.gz FPTFBEFQGJYKJU-UHFFFAOYSA-N -1 0 330.771 3.849 20 0 EHADRM C[C@@H](c1nc2ccccc2n1C(F)F)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000574644924 600287915 /nfs/dbraw/zinc/28/79/15/600287915.db2.gz YUWGKIGULLBFSK-RYUDHWBXSA-N -1 0 349.381 3.679 20 0 EHADRM Cc1ccc(CCC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cc1 ZINC000738589378 600288702 /nfs/dbraw/zinc/28/87/02/600288702.db2.gz OCOWXZYMILVGSY-UHFFFAOYSA-N -1 0 326.396 3.676 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)Nc1nc(/C=C\c2ccccc2)cs1 ZINC000736383381 600298015 /nfs/dbraw/zinc/29/80/15/600298015.db2.gz XVRJAOOGVDLIJC-CKXPSTMWSA-N -1 0 345.424 3.544 20 0 EHADRM Cc1cccc(OCCC(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000738733735 600320631 /nfs/dbraw/zinc/32/06/31/600320631.db2.gz DTWKHWFPSJOVCJ-KRWDZBQOSA-N -1 0 348.782 3.786 20 0 EHADRM Cc1cccc(O[C@H](C)C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000738735216 600323371 /nfs/dbraw/zinc/32/33/71/600323371.db2.gz SAPZCYVVSAPHNF-MLGOLLRUSA-N -1 0 348.782 3.785 20 0 EHADRM CC(=O)c1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000736192712 600325045 /nfs/dbraw/zinc/32/50/45/600325045.db2.gz NEBUVYZYFKNMKZ-HNNXBMFYSA-N -1 0 332.739 3.525 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccc2ncccc2c1)c1cccc(Cl)c1 ZINC000740297379 600327980 /nfs/dbraw/zinc/32/79/80/600327980.db2.gz FSERULMUYDKNFE-INIZCTEOSA-N -1 0 341.750 3.871 20 0 EHADRM Cc1ccccc1CCC(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000738767560 600330004 /nfs/dbraw/zinc/33/00/04/600330004.db2.gz HRUXQHWJZQBCQX-KRWDZBQOSA-N -1 0 332.783 3.950 20 0 EHADRM C[C@@H]1CCCC[C@H]1OCC(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000736786188 600330406 /nfs/dbraw/zinc/33/04/06/600330406.db2.gz TWGKHZFOYIGZRN-DJSGYFEHSA-N -1 0 340.803 3.604 20 0 EHADRM CCCN(Cc1noc(CCCC(=O)[O-])n1)c1ccc(Cl)cc1 ZINC000737021533 600332186 /nfs/dbraw/zinc/33/21/86/600332186.db2.gz VYWUDGZGQZMNIG-UHFFFAOYSA-N -1 0 337.807 3.547 20 0 EHADRM O=C([O-])[C@H]1CC12CCN(C(=O)Nc1ccc(Cl)cc1Cl)CC2 ZINC000405446801 600333165 /nfs/dbraw/zinc/33/31/65/600333165.db2.gz SWXQOGCVUKRKMX-SNVBAGLBSA-N -1 0 343.210 3.712 20 0 EHADRM C[C@H](NC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)C1CCCC1 ZINC000736645404 600334072 /nfs/dbraw/zinc/33/40/72/600334072.db2.gz DUVJKBJVOPZFKX-ZDUSSCGKSA-N -1 0 345.443 3.685 20 0 EHADRM C[C@@H]1CCC[C@@H](N(C)C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C1 ZINC000736773549 600340608 /nfs/dbraw/zinc/34/06/08/600340608.db2.gz BGMZWGXDZQFSKU-CZUORRHYSA-N -1 0 333.432 3.839 20 0 EHADRM C[C@@H](Cc1cccs1)NC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736629830 600343653 /nfs/dbraw/zinc/34/36/53/600343653.db2.gz PFPUIXMGIYEJDU-LBPRGKRZSA-N -1 0 347.440 3.611 20 0 EHADRM CC(C)CN(CC(C)C)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736437513 600346881 /nfs/dbraw/zinc/34/68/81/600346881.db2.gz JEXXGELIYTZBJZ-UHFFFAOYSA-N -1 0 335.448 3.942 20 0 EHADRM CC(C)Cc1ccc(CSCc2noc(CCC(=O)[O-])n2)cc1 ZINC000736454850 600351243 /nfs/dbraw/zinc/35/12/43/600351243.db2.gz YOPLOZUFGUKMFM-UHFFFAOYSA-N -1 0 334.441 3.719 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2ccc(CNC(=O)[O-])cc2)c(C)c1 ZINC000738550374 600354879 /nfs/dbraw/zinc/35/48/79/600354879.db2.gz DNUFVKCSRQFPFH-AWEZNQCLSA-N -1 0 341.411 3.954 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2)cc1 ZINC000739989832 600355975 /nfs/dbraw/zinc/35/59/75/600355975.db2.gz ZKXIDNKUDUWILS-KRWDZBQOSA-N -1 0 339.395 3.823 20 0 EHADRM CC(C)(NC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1cccs1 ZINC000736325056 600356261 /nfs/dbraw/zinc/35/62/61/600356261.db2.gz VRZUWHJNTCTAIR-UHFFFAOYSA-N -1 0 333.413 3.573 20 0 EHADRM Cc1c(Cl)cccc1OCc1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000738290472 600362030 /nfs/dbraw/zinc/36/20/30/600362030.db2.gz IEWNCVOJEVASAI-UHFFFAOYSA-N -1 0 344.754 3.976 20 0 EHADRM Cc1ccc(OCCCOc2ccc(C(=O)[O-])cc2C=O)cc1C ZINC000738643416 600363000 /nfs/dbraw/zinc/36/30/00/600363000.db2.gz OZOSOCFCBHJALX-UHFFFAOYSA-N -1 0 328.364 3.662 20 0 EHADRM O=Cc1cc(C(=O)[O-])ccc1OCCCOc1cccc(Cl)c1 ZINC000740317470 600363175 /nfs/dbraw/zinc/36/31/75/600363175.db2.gz ROIDIAYGWJEADK-UHFFFAOYSA-N -1 0 334.755 3.699 20 0 EHADRM O=C([O-])Nc1ccc(CCNc2cnc3cc(F)c(F)cc3n2)cc1 ZINC000740025332 600364684 /nfs/dbraw/zinc/36/46/84/600364684.db2.gz QUFDRJBUXBIVDU-UHFFFAOYSA-N -1 0 344.321 3.653 20 0 EHADRM CC(C)(C)CCC(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000387611372 600367391 /nfs/dbraw/zinc/36/73/91/600367391.db2.gz VJKRBXCDGNSCDS-UHFFFAOYSA-N -1 0 328.206 3.912 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)Nc1cc(C)c(C(=O)[O-])s1 ZINC000738121625 600368639 /nfs/dbraw/zinc/36/86/39/600368639.db2.gz RQLGRHQVMNOQIU-NTMALXAHSA-N -1 0 331.393 3.805 20 0 EHADRM Cc1cc(NC(=O)/C=C\c2ccnc3ccccc23)sc1C(=O)[O-] ZINC000738231012 600370820 /nfs/dbraw/zinc/37/08/20/600370820.db2.gz MBNKQPHGBXYBNN-SREVYHEPSA-N -1 0 338.388 3.955 20 0 EHADRM Cc1cc(NC(=O)c2cc(-c3ccccc3F)on2)sc1C(=O)[O-] ZINC000738444413 600371132 /nfs/dbraw/zinc/37/11/32/600371132.db2.gz QPWOTRJPHVBLJP-UHFFFAOYSA-N -1 0 346.339 3.801 20 0 EHADRM C[C@H](C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1)c1ccsc1 ZINC000736219827 600373308 /nfs/dbraw/zinc/37/33/08/600373308.db2.gz UBRATPDXLGPROR-QMMMGPOBSA-N -1 0 347.421 3.640 20 0 EHADRM C[C@H](CC(=O)N1CCCC[C@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000136514216 600374090 /nfs/dbraw/zinc/37/40/90/600374090.db2.gz DFJGBJIGXDJCJY-RISCZKNCSA-N -1 0 343.345 3.665 20 0 EHADRM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CC/C=C/c1ccccc1 ZINC000238022126 600374773 /nfs/dbraw/zinc/37/47/73/600374773.db2.gz MISIVWIBXRCKAI-OFCRBKOVSA-N -1 0 335.403 3.518 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CC/C=C\c1ccccc1)c1ccc(F)cc1 ZINC000362442985 600376682 /nfs/dbraw/zinc/37/66/82/600376682.db2.gz XBMPDDHPQOWPCG-MPYGFJLXSA-N -1 0 341.382 3.951 20 0 EHADRM CC[C@@H](CC(=O)N[C@H](Cc1ccccc1)C(=O)[O-])c1ccc(C)cc1 ZINC000236931116 600377670 /nfs/dbraw/zinc/37/76/70/600377670.db2.gz SHMTXAPOPDEQTR-PKOBYXMFSA-N -1 0 339.435 3.691 20 0 EHADRM O=C([O-])[C@@H](Sc1nnc2n1CCCCC2)c1cccc(Cl)c1 ZINC000739513320 600378257 /nfs/dbraw/zinc/37/82/57/600378257.db2.gz SEKSHVJBSSQNBN-ZDUSSCGKSA-N -1 0 337.832 3.576 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@H](C)Oc1ccc(C)cc1)c1ccccc1 ZINC000736850390 600379184 /nfs/dbraw/zinc/37/91/84/600379184.db2.gz WKYVDWGRSNXLFR-YJBOKZPZSA-N -1 0 341.407 3.659 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000736626198 600380030 /nfs/dbraw/zinc/38/00/30/600380030.db2.gz LEVSIYXBZCUGCG-JTQLQIEISA-N -1 0 335.762 3.995 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)s1 ZINC000238030051 600380496 /nfs/dbraw/zinc/38/04/96/600380496.db2.gz DDOVJVNLASYRPG-ZIAGYGMSSA-N -1 0 329.421 3.588 20 0 EHADRM Cc1sc(NC(=O)C[C@H]2CCOc3ccccc32)c(C(=O)[O-])c1C ZINC000738397123 600380845 /nfs/dbraw/zinc/38/08/45/600380845.db2.gz BRYZZRHRSCCELR-GFCCVEGCSA-N -1 0 345.420 3.958 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000740028857 600380866 /nfs/dbraw/zinc/38/08/66/600380866.db2.gz JEFQPZLUVBWQAQ-CRAIPNDOSA-N -1 0 338.407 3.918 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000738661501 600380940 /nfs/dbraw/zinc/38/09/40/600380940.db2.gz LVYOZIUCDYOCLM-AEFFLSMTSA-N -1 0 338.407 3.918 20 0 EHADRM Cc1ccc(NC(=O)C[C@H]2CCOc3ccccc32)c(C(=O)[O-])c1 ZINC000543446124 600382143 /nfs/dbraw/zinc/38/21/43/600382143.db2.gz BAVKHJLLSZOKTP-CYBMUJFWSA-N -1 0 325.364 3.588 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2cc3cc(F)ccc3o2)cc1 ZINC000238053658 600383846 /nfs/dbraw/zinc/38/38/46/600383846.db2.gz VQECMNWYNJTFMI-UHFFFAOYSA-N -1 0 327.311 3.841 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)c2cc(Cl)ccc2F)cc1 ZINC000740020786 600387893 /nfs/dbraw/zinc/38/78/93/600387893.db2.gz UNFSRDJDVUFSNR-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)CCOc1cccc(C)c1)c1ccccc1 ZINC000736847465 600387997 /nfs/dbraw/zinc/38/79/97/600387997.db2.gz KHHSYLIYXVUEMY-GOSISDBHSA-N -1 0 341.407 3.660 20 0 EHADRM CCC[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccccn1 ZINC000736972511 600389944 /nfs/dbraw/zinc/38/99/44/600389944.db2.gz GMTGLNXJWZQTEM-OAHLLOKOSA-N -1 0 331.347 3.582 20 0 EHADRM O=C([O-])c1cc(NC(=O)NCc2ccc(Cl)s2)ccc1F ZINC000071319956 600390590 /nfs/dbraw/zinc/39/05/90/600390590.db2.gz ZOCHKMLBGODVHI-UHFFFAOYSA-N -1 0 328.752 3.561 20 0 EHADRM CCCSCC(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000236835657 600391211 /nfs/dbraw/zinc/39/12/11/600391211.db2.gz UYPUFFSASLHGMU-OAHLLOKOSA-N -1 0 337.485 3.759 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)o1 ZINC000736766701 600391233 /nfs/dbraw/zinc/39/12/33/600391233.db2.gz VPVXAEBPVOKNNS-JOYOIKCWSA-N -1 0 332.331 3.562 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)c2ccsc2)cc1 ZINC000236612570 600391258 /nfs/dbraw/zinc/39/12/58/600391258.db2.gz JBXZKLPCKXHEBJ-HNNXBMFYSA-N -1 0 331.437 3.991 20 0 EHADRM Cc1ccccc1C(C)(C)CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000738757090 600391704 /nfs/dbraw/zinc/39/17/04/600391704.db2.gz VJSCRBKFZAPWGH-UHFFFAOYSA-N -1 0 344.386 3.932 20 0 EHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)CC[C@@H]2CCCO2)cc1 ZINC000236603568 600392866 /nfs/dbraw/zinc/39/28/66/600392866.db2.gz IYWVICBBYPANSV-DLBZAZTESA-N -1 0 347.455 3.575 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCC2(c3ccc(F)cc3)CC2)c(F)c1 ZINC000739407713 600395145 /nfs/dbraw/zinc/39/51/45/600395145.db2.gz SUTBIQGMBKPECZ-UHFFFAOYSA-N -1 0 346.333 3.516 20 0 EHADRM CCOc1ccc([C@H](C)NC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000737194652 600395189 /nfs/dbraw/zinc/39/51/89/600395189.db2.gz GTURSJGPQSESNX-NSHDSACASA-N -1 0 346.358 3.805 20 0 EHADRM Cc1cccc([C@@H]2CCCCCN2C(=O)c2cccc(C(=O)[O-])n2)c1 ZINC000362532955 600396076 /nfs/dbraw/zinc/39/60/76/600396076.db2.gz KDJNWHSDYZHVDA-SFHVURJKSA-N -1 0 338.407 3.846 20 0 EHADRM COc1ccc([C@@H](C)N(C)C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000737950019 600399015 /nfs/dbraw/zinc/39/90/15/600399015.db2.gz QOQKVRWGQMMRIJ-LLVKDONJSA-N -1 0 346.358 3.757 20 0 EHADRM C[C@H](CC(=O)NC(C)(C)CCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000237588915 600399045 /nfs/dbraw/zinc/39/90/45/600399045.db2.gz NARZXRKPNOFOPL-LLVKDONJSA-N -1 0 345.361 3.959 20 0 EHADRM CCc1ccc([C@H](C)NC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000737259303 600399171 /nfs/dbraw/zinc/39/91/71/600399171.db2.gz OHONIMOBUMUZNG-NSHDSACASA-N -1 0 330.359 3.969 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)c1ccc(F)nc1)CCCCC2 ZINC000738514793 600406171 /nfs/dbraw/zinc/40/61/71/600406171.db2.gz NEZKFIMUUFUFAU-UHFFFAOYSA-N -1 0 334.372 3.502 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)NC(C)(C)CCC(=O)[O-] ZINC000050195618 600416168 /nfs/dbraw/zinc/41/61/68/600416168.db2.gz HWZYRXLSBNBHEZ-JTQLQIEISA-N -1 0 329.849 3.580 20 0 EHADRM Cc1cc(C)c(C(=O)CCCC(=O)NC(C)(C)CCC(=O)[O-])c(C)c1 ZINC000262731725 600416174 /nfs/dbraw/zinc/41/61/74/600416174.db2.gz CAMLUAVUWIXJLC-UHFFFAOYSA-N -1 0 347.455 3.724 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000236834670 600417736 /nfs/dbraw/zinc/41/77/36/600417736.db2.gz DNNRAZCVOSALTD-VXGBXAGGSA-N -1 0 344.238 3.857 20 0 EHADRM O=C([O-])[C@@H](Nc1cccc(N2CCCC2=O)c1)c1cccc(Cl)c1 ZINC000739511299 600420389 /nfs/dbraw/zinc/42/03/89/600420389.db2.gz GYRPQLUMWFYXFY-KRWDZBQOSA-N -1 0 344.798 3.705 20 0 EHADRM O=C([O-])[C@@H](Nc1cccc(OCC(F)(F)F)c1)c1ccccc1 ZINC000738524872 600422791 /nfs/dbraw/zinc/42/27/91/600422791.db2.gz ILDLDOJVWJEWGR-AWEZNQCLSA-N -1 0 325.286 3.866 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2ncoc2-c2ccccc2)ccc1F ZINC000740012694 600427764 /nfs/dbraw/zinc/42/77/64/600427764.db2.gz RYCZFNLFTJACEX-UHFFFAOYSA-N -1 0 341.298 3.823 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC000387143964 600427808 /nfs/dbraw/zinc/42/78/08/600427808.db2.gz DRQKBUTVWHDTGE-VIFPVBQESA-N -1 0 336.800 3.553 20 0 EHADRM O=C([O-])[C@@H](Nc1ccc(N2CCOC2=O)cc1)c1cccc(Cl)c1 ZINC000739512408 600428622 /nfs/dbraw/zinc/42/86/22/600428622.db2.gz NCGCYFHHDSXZDE-HNNXBMFYSA-N -1 0 346.770 3.534 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)C[C@H]2CCc3ccccc3C2)cc1 ZINC000738667535 600429346 /nfs/dbraw/zinc/42/93/46/600429346.db2.gz REAOMMNGNNIFQT-ZDUSSCGKSA-N -1 0 325.364 3.877 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)c2ccccc2Oc2ccccc2)c1 ZINC000740244898 600432206 /nfs/dbraw/zinc/43/22/06/600432206.db2.gz QUFOEISKRZQOSL-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM Cc1ccnc(-c2cccc(N[C@@H](C(=O)[O-])c3ccc(F)cc3)c2)n1 ZINC000738792569 600439410 /nfs/dbraw/zinc/43/94/10/600439410.db2.gz MZTNIGZCYXYAIP-QGZVFWFLSA-N -1 0 337.354 3.829 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](NC(=S)NCCCC(=O)[O-])C(C)C ZINC000738288814 600445114 /nfs/dbraw/zinc/44/51/14/600445114.db2.gz ICLMRTRKYGITEW-INIZCTEOSA-N -1 0 348.468 3.767 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)CCc2cccnc2)s1 ZINC000736295270 600450741 /nfs/dbraw/zinc/45/07/41/600450741.db2.gz WQLGXLFMAHDKMH-UHFFFAOYSA-N -1 0 332.425 3.710 20 0 EHADRM COc1cccc(CC(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])c1 ZINC000738094925 600451983 /nfs/dbraw/zinc/45/19/83/600451983.db2.gz OXBOUOKRVBXVTE-UHFFFAOYSA-N -1 0 347.436 3.934 20 0 EHADRM O=C([O-])[C@H](OC(=O)Cc1csc2ccccc12)c1ccc(F)cc1 ZINC000739355101 600452574 /nfs/dbraw/zinc/45/25/74/600452574.db2.gz FZOIAHMNTQROCJ-QGZVFWFLSA-N -1 0 344.363 3.952 20 0 EHADRM C[C@@H](CC(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(F)cc1 ZINC000736556969 600456339 /nfs/dbraw/zinc/45/63/39/600456339.db2.gz OWTZUIDMAOWDRI-GTNSWQLSSA-N -1 0 334.318 3.828 20 0 EHADRM C[C@@H](CC(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1)c1cccc(F)c1 ZINC000736555127 600457112 /nfs/dbraw/zinc/45/71/12/600457112.db2.gz BHIVCIVPCFLIBG-GTNSWQLSSA-N -1 0 334.318 3.828 20 0 EHADRM CCc1ccc([C@@H]2CCCN2C(=O)NCCCCCCC(=O)[O-])o1 ZINC000737258538 600465362 /nfs/dbraw/zinc/46/53/62/600465362.db2.gz HKPXGZJDEPWYEG-HNNXBMFYSA-N -1 0 336.432 3.724 20 0 EHADRM CC(C)[C@@H](OC(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000736622663 600468558 /nfs/dbraw/zinc/46/85/58/600468558.db2.gz UIYRXJNGQJFIRC-GXFFZTMASA-N -1 0 332.318 3.536 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000261642044 600471940 /nfs/dbraw/zinc/47/19/40/600471940.db2.gz IMKFGAOYHLZLPH-AWEZNQCLSA-N -1 0 340.379 3.807 20 0 EHADRM CCOc1ccc(NC(=O)NCCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000737202997 600472149 /nfs/dbraw/zinc/47/21/49/600472149.db2.gz KXPSWSMLMSDFPW-UHFFFAOYSA-N -1 0 343.383 3.539 20 0 EHADRM Cc1cc(C)cc(NC(=O)NCCc2ccc(NC(=O)[O-])cc2)c1 ZINC000738363720 600472473 /nfs/dbraw/zinc/47/24/73/600472473.db2.gz JREZHCZYXDSOKP-UHFFFAOYSA-N -1 0 327.384 3.758 20 0 EHADRM O=C([O-])c1ccc(Cl)cc1OC(=O)C[C@@H]1CCOc2ccccc21 ZINC000739220582 600472521 /nfs/dbraw/zinc/47/25/21/600472521.db2.gz AFIBSRMPNCZBOI-NSHDSACASA-N -1 0 346.766 3.900 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C(F)(F)c2ccc(F)cc2)cc1Cl ZINC000740145286 600477629 /nfs/dbraw/zinc/47/76/29/600477629.db2.gz IQAWDQJIRCIBCK-UHFFFAOYSA-N -1 0 343.688 3.908 20 0 EHADRM CC[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000736930043 600478195 /nfs/dbraw/zinc/47/81/95/600478195.db2.gz UAFXWCHVNCJFLJ-HNNXBMFYSA-N -1 0 331.347 3.534 20 0 EHADRM CC[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000736930379 600479026 /nfs/dbraw/zinc/47/90/26/600479026.db2.gz UVCJOYLCDPLLKJ-INIZCTEOSA-N -1 0 342.399 3.811 20 0 EHADRM CC[C@@H](C)[C@@H]1CCCCN1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000736880365 600479413 /nfs/dbraw/zinc/47/94/13/600479413.db2.gz OYGHSURONSUOPZ-PBHICJAKSA-N -1 0 348.443 3.973 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C(=O)c2ccc(Cl)cc2)cc1Cl ZINC000739465207 600479466 /nfs/dbraw/zinc/47/94/66/600479466.db2.gz UDFMLHQDCIBPFG-UHFFFAOYSA-N -1 0 338.146 3.513 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCc2cc(F)ccc2F)cc1Cl ZINC000238111486 600480206 /nfs/dbraw/zinc/48/02/06/600480206.db2.gz OMAULSMVTBEGCA-UHFFFAOYSA-N -1 0 339.725 3.888 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCc2nc3ccccc3o2)cc1Cl ZINC000362402328 600480999 /nfs/dbraw/zinc/48/09/99/600480999.db2.gz LMONRYRNOONVBW-UHFFFAOYSA-N -1 0 344.754 3.751 20 0 EHADRM C[C@@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000736834604 600481964 /nfs/dbraw/zinc/48/19/64/600481964.db2.gz BFCNVLZSYBCHNS-SNVBAGLBSA-N -1 0 346.333 3.814 20 0 EHADRM O=C([O-])CCCOc1ccc(CNC(=O)c2ccc(Cl)cc2)cc1 ZINC000237997569 600482417 /nfs/dbraw/zinc/48/24/17/600482417.db2.gz RHTICKXHWHVZMR-UHFFFAOYSA-N -1 0 347.798 3.514 20 0 EHADRM C[C@H]1SCCN(C(=O)c2ccc(C(=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000237601704 600482455 /nfs/dbraw/zinc/48/24/55/600482455.db2.gz JJJDNFLRJIPHQG-DYVFJYSZSA-N -1 0 341.432 3.704 20 0 EHADRM CCC(CC)[C@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1cccs1 ZINC000262966093 600490388 /nfs/dbraw/zinc/49/03/88/600490388.db2.gz JKTSPRFDNFHDDC-HIFRSBDPSA-N -1 0 338.473 3.732 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(F)c(NC(=O)[O-])c1)C(=O)c1ccccc1 ZINC000736547892 600492159 /nfs/dbraw/zinc/49/21/59/600492159.db2.gz FXCAPOZSMLCDHT-NSHDSACASA-N -1 0 344.342 3.763 20 0 EHADRM CC[C@H](C)[C@@H]1CCCCN1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736881111 600498264 /nfs/dbraw/zinc/49/82/64/600498264.db2.gz WJNKOFYBPOCFAU-YOEHRIQHSA-N -1 0 347.459 3.929 20 0 EHADRM C[C@@H](CN(C)C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)C(=O)[O-] ZINC000237413462 600504490 /nfs/dbraw/zinc/50/44/90/600504490.db2.gz LSOJBKXJKMBQNI-NSHDSACASA-N -1 0 349.333 3.550 20 0 EHADRM CC(C)CO[C@@H]1C[C@H](OC(=O)c2cccc(NC(=O)[O-])c2)C1(C)C ZINC000736445148 600511708 /nfs/dbraw/zinc/51/17/08/600511708.db2.gz YRVJTZNYAOILNY-CABCVRRESA-N -1 0 335.400 3.773 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H]2CCc3ccccc3C2)cc1Cl ZINC000391954045 600511891 /nfs/dbraw/zinc/51/18/91/600511891.db2.gz DJEWXJQFVAECFM-ZDUSSCGKSA-N -1 0 344.798 3.717 20 0 EHADRM C[C@H](Cc1ccsc1)NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000314584804 600514367 /nfs/dbraw/zinc/51/43/67/600514367.db2.gz ADGPUERBJMKRTB-SECBINFHSA-N -1 0 338.816 3.852 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCC[C@@H]2c2cccnc2)cc1Cl ZINC000740146721 600515770 /nfs/dbraw/zinc/51/57/70/600515770.db2.gz FZVOMTFJRLMRNZ-OAHLLOKOSA-N -1 0 345.786 3.802 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1ccc(SC(F)(F)F)cc1)C(=O)[O-] ZINC000314241845 600520065 /nfs/dbraw/zinc/52/00/65/600520065.db2.gz FOPSPSNKOMMGPX-JTQLQIEISA-N -1 0 335.347 3.528 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000262530362 600523731 /nfs/dbraw/zinc/52/37/31/600523731.db2.gz HZDJFLPSTOEARJ-GOSISDBHSA-N -1 0 341.407 3.603 20 0 EHADRM CS[C@H](C(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccccc1 ZINC000738181204 600526810 /nfs/dbraw/zinc/52/68/10/600526810.db2.gz HJUSSSWCWZZXLB-KRWDZBQOSA-N -1 0 329.421 3.747 20 0 EHADRM CCN(C(=O)[C@H](C)Oc1ccccc1Cl)c1ccccc1C(=O)[O-] ZINC000737051371 600531983 /nfs/dbraw/zinc/53/19/83/600531983.db2.gz SBDGMTCCBUQSHE-LBPRGKRZSA-N -1 0 347.798 3.859 20 0 EHADRM CC(C)(C)[C@H](NC(=O)CCCOc1cccc2ccccc21)C(=O)[O-] ZINC000675986695 600532558 /nfs/dbraw/zinc/53/25/58/600532558.db2.gz MVFKXNXAGIIOSH-GOSISDBHSA-N -1 0 343.423 3.614 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)OC(=O)C=C2CCC(C)CC2)c(C)c1C(=O)[O-] ZINC000738237690 600537586 /nfs/dbraw/zinc/53/75/86/600537586.db2.gz WUVMDQCNZXNUOK-HQVZTVAUSA-N -1 0 347.411 3.581 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000740110114 600538980 /nfs/dbraw/zinc/53/89/80/600538980.db2.gz UDCJNSYTBVXVHF-GFCCVEGCSA-N -1 0 337.347 3.702 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1)c1nc2ccccc2s1 ZINC000736647868 600540725 /nfs/dbraw/zinc/54/07/25/600540725.db2.gz BAELLZXRRJVPAR-JTQLQIEISA-N -1 0 341.392 3.877 20 0 EHADRM Cc1ccccc1C[C@@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000738325549 600541177 /nfs/dbraw/zinc/54/11/77/600541177.db2.gz RRVVHVSOYKKRGC-SFHVURJKSA-N -1 0 338.407 3.932 20 0 EHADRM CCCCN(C)c1ccc(NC(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000736992457 600544037 /nfs/dbraw/zinc/54/40/37/600544037.db2.gz JCEKLZDNCWKNDE-UHFFFAOYSA-N -1 0 345.399 3.536 20 0 EHADRM CC(C)[C@H](c1ccccc1)N(C)C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000736392146 600544166 /nfs/dbraw/zinc/54/41/66/600544166.db2.gz SBIVRGKGAAUTEE-OAHLLOKOSA-N -1 0 347.440 3.631 20 0 EHADRM CC(C)(Oc1cccc(Cl)c1)C(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC000736343712 600544940 /nfs/dbraw/zinc/54/49/40/600544940.db2.gz IVCMFAFRUMZJMZ-OAHLLOKOSA-N -1 0 348.782 3.867 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)[C@H](C)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000736869320 600550815 /nfs/dbraw/zinc/55/08/15/600550815.db2.gz DKLYPXWIXZZIKT-IGJMFERPSA-N -1 0 332.227 3.712 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)[C@@H](C)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000736869322 600550990 /nfs/dbraw/zinc/55/09/90/600550990.db2.gz DKLYPXWIXZZIKT-MWODSPESSA-N -1 0 332.227 3.712 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N(CCC(=O)[O-])C(C)C)c1 ZINC000236749873 600560478 /nfs/dbraw/zinc/56/04/78/600560478.db2.gz FBUWNLJNAKNKJH-HNNXBMFYSA-N -1 0 335.444 3.597 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)/C=C\c1ccc2ccc(Cl)cc2n1 ZINC000736461396 600560934 /nfs/dbraw/zinc/56/09/34/600560934.db2.gz UFVJGRNZGLQIHX-FPLPWBNLSA-N -1 0 346.814 3.613 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)[C@@H](C)Sc1ccc(Cl)cc1 ZINC000037585158 600563421 /nfs/dbraw/zinc/56/34/21/600563421.db2.gz VNSILDWKXWZRQQ-LLVKDONJSA-N -1 0 329.849 3.532 20 0 EHADRM O=C([O-])c1cc(NC(=O)C[C@H]2OCCc3ccccc32)ccc1Cl ZINC000676002303 600569812 /nfs/dbraw/zinc/56/98/12/600569812.db2.gz RIKGUZGHTCEHLK-MRXNPFEDSA-N -1 0 345.782 3.681 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)Cc2c[nH]c3ccc(F)cc23)cc1 ZINC000737333542 600571745 /nfs/dbraw/zinc/57/17/45/600571745.db2.gz WQTQBHKFBAJYQX-UHFFFAOYSA-N -1 0 341.342 3.602 20 0 EHADRM CSCCCC(=O)Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1 ZINC000738191359 600582976 /nfs/dbraw/zinc/58/29/76/600582976.db2.gz IIZHBBDBKHDRBO-UHFFFAOYSA-N -1 0 336.438 3.590 20 0 EHADRM C[C@@H](CC(=O)[O-])SCc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000321711113 600584782 /nfs/dbraw/zinc/58/47/82/600584782.db2.gz VECJJVIMPOMYMR-QMMMGPOBSA-N -1 0 346.330 3.852 20 0 EHADRM Cc1c(Cl)cccc1OCC(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000738290392 600585339 /nfs/dbraw/zinc/58/53/39/600585339.db2.gz ASCRMPHUVUYUHD-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM C[C@H](CC(=O)[O-])S[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000736549918 600585512 /nfs/dbraw/zinc/58/55/12/600585512.db2.gz BLDCAGDNNXREEO-SFYZADRCSA-N -1 0 336.240 3.917 20 0 EHADRM C[C@@H](CC(=O)[O-])SCCC(=O)Nc1c(Cl)cccc1Cl ZINC000090097671 600590884 /nfs/dbraw/zinc/59/08/84/600590884.db2.gz FYHDWJGMDWJCPV-QMMMGPOBSA-N -1 0 336.240 3.918 20 0 EHADRM CC(C)[C@H](S[C@@H](C)CC(=O)[O-])C(=O)Nc1ccc2c(c1)CCC2 ZINC000736550658 600591889 /nfs/dbraw/zinc/59/18/89/600591889.db2.gz QEIVVUYKMAXRPD-SJCJKPOMSA-N -1 0 335.469 3.735 20 0 EHADRM C[C@H](CS[C@@H](C(=O)Nc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000736607359 600597531 /nfs/dbraw/zinc/59/75/31/600597531.db2.gz PYRJSBXTMZFTAY-CZUORRHYSA-N -1 0 329.421 3.820 20 0 EHADRM CC(C)CCC(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000486389297 600598433 /nfs/dbraw/zinc/59/84/33/600598433.db2.gz POSNMCGGLKEYGR-KRWDZBQOSA-N -1 0 327.424 3.636 20 0 EHADRM C[C@@H](SC[C@@H](C)C(=O)[O-])C(=O)Nc1ccc(Cl)cc1Cl ZINC000736620684 600599931 /nfs/dbraw/zinc/59/99/31/600599931.db2.gz YGGLUGIJOPTKEQ-HTQZYQBOSA-N -1 0 336.240 3.774 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000736903521 600600663 /nfs/dbraw/zinc/60/06/63/600600663.db2.gz KHXNPGPMTNGYHH-AEFFLSMTSA-N -1 0 325.408 3.540 20 0 EHADRM CC(F)(F)CCC(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000736629826 600602916 /nfs/dbraw/zinc/60/29/16/600602916.db2.gz PAKQYOOAFFPJEI-OAHLLOKOSA-N -1 0 349.377 3.635 20 0 EHADRM Cc1ccc(C(=O)N(CC(=O)[O-])c2ccccc2)cc1-n1cccc1 ZINC000738505018 600604110 /nfs/dbraw/zinc/60/41/10/600604110.db2.gz SAXCXBPGKUBEKM-UHFFFAOYSA-N -1 0 334.375 3.517 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N(CC(=O)[O-])c1ccccc1 ZINC000336875573 600604483 /nfs/dbraw/zinc/60/44/83/600604483.db2.gz ISCJRAWPILFLCP-UHFFFAOYSA-N -1 0 327.311 3.612 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)N(CC(=O)[O-])c1ccccc1 ZINC000337745595 600605328 /nfs/dbraw/zinc/60/53/28/600605328.db2.gz NTDUIJCUAKQJKL-CQSZACIVSA-N -1 0 329.421 3.533 20 0 EHADRM CC(F)(F)CCC(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000736630537 600607963 /nfs/dbraw/zinc/60/79/63/600607963.db2.gz ZHWOSNTVGBBHOZ-MRXNPFEDSA-N -1 0 349.377 3.635 20 0 EHADRM C[C@@](NC(=O)c1ccc(OCC2CCCCC2)cc1)(C(=O)[O-])C1CC1 ZINC000736656298 600609564 /nfs/dbraw/zinc/60/95/64/600609564.db2.gz JHIGSZDHWWVEPT-FQEVSTJZSA-N -1 0 345.439 3.629 20 0 EHADRM COc1ccc([C@@H](C)C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000178257689 600619628 /nfs/dbraw/zinc/61/96/28/600619628.db2.gz XMDJZJLUEKISBJ-SNVBAGLBSA-N -1 0 333.771 3.789 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)C(=O)c2ccc(Cl)cc2)c1 ZINC000739462339 600622592 /nfs/dbraw/zinc/62/25/92/600622592.db2.gz HULKGRSXYQADJK-UHFFFAOYSA-N -1 0 338.146 3.513 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)CCOc2cccc(F)c2)c1 ZINC000322854838 600622943 /nfs/dbraw/zinc/62/29/43/600622943.db2.gz RHIFBLVZYSQHIN-UHFFFAOYSA-N -1 0 337.734 3.585 20 0 EHADRM C[C@@H]1CCC[C@H](OCC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC000736777018 600623462 /nfs/dbraw/zinc/62/34/62/600623462.db2.gz UOOMTAOCRGNYJU-YGRLFVJLSA-N -1 0 325.792 3.572 20 0 EHADRM O=C([O-])Nc1ccc(N[C@@H]2CCCN(c3cccc(F)c3)C2=O)cc1 ZINC000738665769 600639475 /nfs/dbraw/zinc/63/94/75/600639475.db2.gz CBJFJZKGMXZQEQ-MRXNPFEDSA-N -1 0 343.358 3.523 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)NCc2ccc(C(=O)[O-])cc2)c1C ZINC000263295336 600641605 /nfs/dbraw/zinc/64/16/05/600641605.db2.gz VZGLMCYHFIHXGZ-CQSZACIVSA-N -1 0 326.396 3.562 20 0 EHADRM CC(C)(C)[C@H](NC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000678978860 600642401 /nfs/dbraw/zinc/64/24/01/600642401.db2.gz LUXAHTATAMGQCH-YESZJQIVSA-N -1 0 325.408 3.559 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N2CCSC[C@@H]2c2ccccc2)c1 ZINC000740228468 600642541 /nfs/dbraw/zinc/64/25/41/600642541.db2.gz LDEURNNZCLUIIH-MRXNPFEDSA-N -1 0 342.420 3.707 20 0 EHADRM CCN(C(=O)C[C@H](C)c1ccccc1OC)c1ccccc1C(=O)[O-] ZINC000737052270 600647334 /nfs/dbraw/zinc/64/73/34/600647334.db2.gz HJWDZTHDSMZYPJ-AWEZNQCLSA-N -1 0 341.407 3.940 20 0 EHADRM C[C@]1(c2ccccc2)CCCN(C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000736740959 600652748 /nfs/dbraw/zinc/65/27/48/600652748.db2.gz INLHEKREXIRSNK-FQEVSTJZSA-N -1 0 338.407 3.970 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccc3oc(C4CC4)nc3c2)C1 ZINC000179964734 600655087 /nfs/dbraw/zinc/65/50/87/600655087.db2.gz INYXRBAEOJYRRH-NWDGAFQWSA-N -1 0 328.368 3.535 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NCC2(c3ccc(F)cc3)CCCC2)C1 ZINC000179969049 600657381 /nfs/dbraw/zinc/65/73/81/600657381.db2.gz QAQLHNJDWGHVGU-HUUCEWRRSA-N -1 0 347.430 3.645 20 0 EHADRM Cc1ccc(OC(=O)Cc2c[nH]c3ccc(Cl)cc23)c(C(=O)[O-])c1 ZINC000738640106 600658532 /nfs/dbraw/zinc/65/85/32/600658532.db2.gz MGKHYRPXVNHXLI-UHFFFAOYSA-N -1 0 343.766 3.976 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)OCc2ccc(C(=O)[O-])o2)cc1 ZINC000736512283 600660610 /nfs/dbraw/zinc/66/06/10/600660610.db2.gz GYPMTALBIUCZRO-JKSUJKDBSA-N -1 0 328.364 3.948 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCC[C@H]2Cc2ccccc2Cl)C1 ZINC000245758651 600660885 /nfs/dbraw/zinc/66/08/85/600660885.db2.gz VFCLSZDUUHYPAU-XHSDSOJGSA-N -1 0 349.858 3.765 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000108655949 600661420 /nfs/dbraw/zinc/66/14/20/600661420.db2.gz GXAWPSKZYCAENZ-DTWKUNHWSA-N -1 0 333.281 3.674 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1C ZINC000374855415 600661779 /nfs/dbraw/zinc/66/17/79/600661779.db2.gz NUZGJAZBQWXYTK-KSZLIROESA-N -1 0 329.440 3.858 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2cccc(Oc3ccncc3)c2)C1 ZINC000191593802 600669080 /nfs/dbraw/zinc/66/90/80/600669080.db2.gz KRKZSXFQEFUDAY-UONOGXRCSA-N -1 0 340.379 3.703 20 0 EHADRM Cc1ccccc1-c1cnc(CN(C)[C@@H](C(=O)[O-])c2ccccc2)o1 ZINC000738749165 600673035 /nfs/dbraw/zinc/67/30/35/600673035.db2.gz GBSIPXJSYQOVKR-LJQANCHMSA-N -1 0 336.391 3.908 20 0 EHADRM CCN1CCCC[C@H]1C(=O)OCc1c2ccccc2sc1C(=O)[O-] ZINC000829770211 600681166 /nfs/dbraw/zinc/68/11/66/600681166.db2.gz GBTJGCPIBYRHEM-AWEZNQCLSA-N -1 0 347.436 3.517 20 0 EHADRM Cc1nc(=O)[nH]c(SCCCc2ccc(Cl)cc2)c1C(=O)[O-] ZINC000738229591 600686626 /nfs/dbraw/zinc/68/66/26/600686626.db2.gz LGEFMVUHYMOGSV-UHFFFAOYSA-N -1 0 338.816 3.567 20 0 EHADRM CC(C)C[C@@H](C(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000736401835 600688985 /nfs/dbraw/zinc/68/89/85/600688985.db2.gz MQUZREMJABTMCK-GOSISDBHSA-N -1 0 341.407 3.918 20 0 EHADRM CCc1[nH]c(C(=O)NC2(c3cccc(Cl)c3)CC2)c(C)c1C(=O)[O-] ZINC000737241882 600693752 /nfs/dbraw/zinc/69/37/52/600693752.db2.gz PLAMJDDSBJVYGB-UHFFFAOYSA-N -1 0 346.814 3.656 20 0 EHADRM COc1ccccc1[C@H](C)Cc1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000832589793 600695673 /nfs/dbraw/zinc/69/56/73/600695673.db2.gz TXLFCPPYECIOSJ-GFCCVEGCSA-N -1 0 338.363 3.790 20 0 EHADRM C[C@@H](Cc1ccccc1F)c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000827592728 600696503 /nfs/dbraw/zinc/69/65/03/600696503.db2.gz TUKIZEJQRQUEHZ-NSHDSACASA-N -1 0 326.327 3.920 20 0 EHADRM Cc1ccccc1OCCCc1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000832982073 600696737 /nfs/dbraw/zinc/69/67/37/600696737.db2.gz XLVGTWNAENNUPO-UHFFFAOYSA-N -1 0 338.363 3.755 20 0 EHADRM Cc1nc2ccc(-c3nc(-c4cccc(C(=O)[O-])c4)no3)cc2nc1C ZINC000833003955 600699188 /nfs/dbraw/zinc/69/91/88/600699188.db2.gz DFRFAZCEBOOXKW-UHFFFAOYSA-N -1 0 346.346 3.662 20 0 EHADRM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)c1ccc(C(=O)[O-])nc1 ZINC000237441157 600701429 /nfs/dbraw/zinc/70/14/29/600701429.db2.gz YCGHTRFNOILZMU-CQSZACIVSA-N -1 0 338.407 3.783 20 0 EHADRM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000832855968 600704267 /nfs/dbraw/zinc/70/42/67/600704267.db2.gz KNDVAMDXZDJQIH-HNNXBMFYSA-N -1 0 346.471 3.778 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)[C@@H]1SCCc2ccccc21 ZINC000833299237 600713022 /nfs/dbraw/zinc/71/30/22/600713022.db2.gz PFBDXJXZHVPSDK-MRXNPFEDSA-N -1 0 346.379 3.598 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cccc(F)c1Cl)c1ccc(F)cc1 ZINC000833351793 600734161 /nfs/dbraw/zinc/73/41/61/600734161.db2.gz UMSVJTAPKTUPEK-ZDUSSCGKSA-N -1 0 326.682 3.601 20 0 EHADRM CCc1ccccc1CNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000322054364 600742801 /nfs/dbraw/zinc/74/28/01/600742801.db2.gz XPOUOFFTJCRDTH-UHFFFAOYSA-N -1 0 332.787 3.922 20 0 EHADRM CC[C@H]1CCC[C@@H](NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC000736939753 600745708 /nfs/dbraw/zinc/74/57/08/600745708.db2.gz FISCBGPAFULPSF-DZGCQCFKSA-N -1 0 334.416 3.630 20 0 EHADRM Cc1ccc(S(=O)(=O)Oc2cccc(C(C)C)c2)cc1C(=O)[O-] ZINC000013074396 600766368 /nfs/dbraw/zinc/76/63/68/600766368.db2.gz WSSWDQZGRABQGU-UHFFFAOYSA-N -1 0 334.393 3.584 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@H]2C[C@]23CCCc2ccccc23)c1 ZINC000238041096 600784364 /nfs/dbraw/zinc/78/43/64/600784364.db2.gz DBBRXIKXKUAHCM-QRWLVFNGSA-N -1 0 339.366 3.757 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)[C@@H]2C[C@]23CCc2ccccc23)ccc1F ZINC000833283345 600786103 /nfs/dbraw/zinc/78/61/03/600786103.db2.gz HIUCDWKUANFCKH-LIRRHRJNSA-N -1 0 340.354 3.758 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)c1 ZINC000833298303 600788157 /nfs/dbraw/zinc/78/81/57/600788157.db2.gz XDKOKUQEMWPDDU-QFBILLFUSA-N -1 0 341.794 3.881 20 0 EHADRM COCc1nc(COc2c(C(=O)[O-])ccc3ccccc32)cs1 ZINC000831826885 600801700 /nfs/dbraw/zinc/80/17/00/600801700.db2.gz KAVGHMUHXYLSIP-UHFFFAOYSA-N -1 0 329.377 3.720 20 0 EHADRM COc1ccc2cc([C@H](C)OC(=O)[C@H](NC(=O)[O-])C(C)C)ccc2c1 ZINC000832504219 600802788 /nfs/dbraw/zinc/80/27/88/600802788.db2.gz INISAZXFJYLRPT-YVEFUNNKSA-N -1 0 345.395 3.745 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCc1cccs1)c1cccc(Cl)c1 ZINC000776673671 600805251 /nfs/dbraw/zinc/80/52/51/600805251.db2.gz AFHYJODCYQEHJI-CQSZACIVSA-N -1 0 337.828 3.666 20 0 EHADRM Cc1cccc2c(CC(=O)O[C@@H](C)c3ccc(C(=O)[O-])o3)c[nH]c21 ZINC000738747784 600806474 /nfs/dbraw/zinc/80/64/74/600806474.db2.gz KJBFYLQKSMNUDM-NSHDSACASA-N -1 0 327.336 3.614 20 0 EHADRM Cc1ccc(F)c(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000776675166 600806705 /nfs/dbraw/zinc/80/67/05/600806705.db2.gz QIGQAKICTNYRBY-HNNXBMFYSA-N -1 0 335.762 3.733 20 0 EHADRM Cc1cccc([C@@H](C)CNC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000738693943 600809046 /nfs/dbraw/zinc/80/90/46/600809046.db2.gz VQCCZQAVKFJRKV-NSHDSACASA-N -1 0 348.349 3.897 20 0 EHADRM CCOC1CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)CC1 ZINC000652394234 600819183 /nfs/dbraw/zinc/81/91/83/600819183.db2.gz QIEWWIKAPRZRPQ-UHFFFAOYSA-N -1 0 346.452 3.509 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=S)Nc2ccc(Cl)nc2)cc1 ZINC000736233270 600820972 /nfs/dbraw/zinc/82/09/72/600820972.db2.gz UYPKEEARWCSHLT-UHFFFAOYSA-N -1 0 349.843 3.906 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=S)Nc2ccccc2C)c1OC ZINC000737856006 600822263 /nfs/dbraw/zinc/82/22/63/600822263.db2.gz YIVDVBBVYXBWCY-UHFFFAOYSA-N -1 0 346.408 3.519 20 0 EHADRM Cc1cccc2c(CCC(=O)Nc3ccc(C(=O)[O-])s3)c[nH]c21 ZINC000738747194 600827074 /nfs/dbraw/zinc/82/70/74/600827074.db2.gz DBHMVLSZAOEWLZ-UHFFFAOYSA-N -1 0 328.393 3.807 20 0 EHADRM Cn1c(S[C@@H](C(=O)[O-])c2ccccc2F)nnc1-c1ccccc1 ZINC000833039057 600834022 /nfs/dbraw/zinc/83/40/22/600834022.db2.gz CWTQYVRIHNTCIO-CQSZACIVSA-N -1 0 343.383 3.539 20 0 EHADRM CN(Cc1ccccc1C(F)(F)F)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000179953156 600835277 /nfs/dbraw/zinc/83/52/77/600835277.db2.gz GVUNNUWHWSMKRU-RYUDHWBXSA-N -1 0 343.345 3.555 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)cc1 ZINC000737330821 600835976 /nfs/dbraw/zinc/83/59/76/600835976.db2.gz FWLXLAQDUJDYGD-KGLIPLIRSA-N -1 0 346.333 3.821 20 0 EHADRM CC[C@](C)(NC(=O)C[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000262384564 600836205 /nfs/dbraw/zinc/83/62/05/600836205.db2.gz DIHQUCLXWGWOJZ-BONVTDFDSA-N -1 0 331.334 3.569 20 0 EHADRM Cc1cccc2c(CCC(=O)N3Cc4ccc(C(=O)[O-])cc4C3)c[nH]c21 ZINC000738747939 600840687 /nfs/dbraw/zinc/84/06/87/600840687.db2.gz QJMBCYJMCMNHRZ-UHFFFAOYSA-N -1 0 348.402 3.650 20 0 EHADRM Cc1cccc(NC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)c1Cl ZINC000323715632 600846334 /nfs/dbraw/zinc/84/63/34/600846334.db2.gz WKFQXNFNHOUKER-CYBMUJFWSA-N -1 0 332.787 3.638 20 0 EHADRM CS[C@@H](C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21)c1ccccc1 ZINC000738180722 600848333 /nfs/dbraw/zinc/84/83/33/600848333.db2.gz YTXCPYGDVYDGMD-RDTXWAMCSA-N -1 0 341.432 3.696 20 0 EHADRM CC(C)(CC(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21)c1ccccc1 ZINC000736310043 600849283 /nfs/dbraw/zinc/84/92/83/600849283.db2.gz KVKOHMDTLCCATN-OAHLLOKOSA-N -1 0 337.419 3.959 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)c2cccc(OC(F)F)c2)c2ccccc21 ZINC000327181595 600852559 /nfs/dbraw/zinc/85/25/59/600852559.db2.gz VXENEGPCZBNXPJ-LBPRGKRZSA-N -1 0 347.317 3.507 20 0 EHADRM Cc1cccc(C2(C(=O)N3C[C@@H](CC(=O)[O-])c4ccccc43)CC2)c1 ZINC000738687024 600853142 /nfs/dbraw/zinc/85/31/42/600853142.db2.gz BJCQEAIAXJMJIC-OAHLLOKOSA-N -1 0 335.403 3.632 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000262273804 600853580 /nfs/dbraw/zinc/85/35/80/600853580.db2.gz IYTYTXFZEXECNC-XKQJLSEDSA-N -1 0 333.428 3.626 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)c2cc3cc(F)ccc3o2)c2ccccc21 ZINC000739646888 600854935 /nfs/dbraw/zinc/85/49/35/600854935.db2.gz QFHAPIXDLXDREP-GFCCVEGCSA-N -1 0 339.322 3.791 20 0 EHADRM Cc1cc2cc(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)oc2cc1C ZINC000237836235 600861693 /nfs/dbraw/zinc/86/16/93/600861693.db2.gz FAVJQYGHRUZBHQ-BPUTZDHNSA-N -1 0 341.407 3.908 20 0 EHADRM C[C@]1(C(=O)Oc2ccc(NC(=O)[O-])cc2)CCc2ccccc2C1 ZINC000828042240 600862159 /nfs/dbraw/zinc/86/21/59/600862159.db2.gz UTZLQWPKSOMJBF-IBGZPJMESA-N -1 0 325.364 3.877 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)Cc2c(F)cccc2Cl)c2ccccc21 ZINC000325334711 600862854 /nfs/dbraw/zinc/86/28/54/600862854.db2.gz IHVYDMZZILZDFG-NSHDSACASA-N -1 0 347.773 3.627 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cccc(F)c1Cl)c1ccc(F)cc1 ZINC000362428293 600868247 /nfs/dbraw/zinc/86/82/47/600868247.db2.gz OJTZCEBTFDYWPH-CYBMUJFWSA-N -1 0 339.725 3.564 20 0 EHADRM O=C([O-])c1cc(NC(=O)C=C2CCCC2)c(Br)cc1F ZINC000739207918 600868736 /nfs/dbraw/zinc/86/87/36/600868736.db2.gz CABXSGSGZKJHFA-UHFFFAOYSA-N -1 0 342.164 3.725 20 0 EHADRM CCC[C@@H](C)C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000736964489 600869155 /nfs/dbraw/zinc/86/91/55/600869155.db2.gz GLGYKTPVYHPESQ-SSDOTTSWSA-N -1 0 332.169 3.661 20 0 EHADRM CC(C)[C@H](C(=O)Nc1ccc(OCCC(=O)[O-])cc1)c1ccccc1 ZINC000236623313 600870348 /nfs/dbraw/zinc/87/03/48/600870348.db2.gz VDRQIGZOUQKSEV-IBGZPJMESA-N -1 0 341.407 3.918 20 0 EHADRM O=C([O-])[C@@H](NC(=O)C1CCC(c2ccccc2)CC1)c1ccccc1 ZINC000237984795 600871319 /nfs/dbraw/zinc/87/13/19/600871319.db2.gz RKDFJVGLGXBAJZ-KVZIAJEVSA-N -1 0 337.419 3.903 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N(C[C@H](C)C(=O)[O-])C3CC3)o2)cc1 ZINC000236984940 600873242 /nfs/dbraw/zinc/87/32/42/600873242.db2.gz UMOHAUODSJZRBJ-ZDUSSCGKSA-N -1 0 341.407 3.834 20 0 EHADRM CCc1oc2ccccc2c1CN(C)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000183970492 600873802 /nfs/dbraw/zinc/87/38/02/600873802.db2.gz KHQSLPUIBAYYLC-KGLIPLIRSA-N -1 0 343.423 3.845 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000171789452 600873892 /nfs/dbraw/zinc/87/38/92/600873892.db2.gz FIQAUUIVFPBVGB-MSOLQXFVSA-N -1 0 337.419 3.783 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)[C@@H](C)CC2CCCC2)c1OC ZINC000262408572 600877384 /nfs/dbraw/zinc/87/73/84/600877384.db2.gz BYLKBFOVAUFRAE-NSHDSACASA-N -1 0 335.400 3.557 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccc(Cl)c3cccnc23)C1 ZINC000391289826 600878774 /nfs/dbraw/zinc/87/87/74/600878774.db2.gz MITHPDFFWMFGEP-GHMZBOCLSA-N -1 0 332.787 3.718 20 0 EHADRM Cc1ccc(C)c(OCC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000262277462 600882619 /nfs/dbraw/zinc/88/26/19/600882619.db2.gz UDRUOVHPPAKYPR-UHFFFAOYSA-N -1 0 341.407 3.683 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Cc2ccc3c(c2)CCC3)cc1 ZINC000262198413 600882738 /nfs/dbraw/zinc/88/27/38/600882738.db2.gz KEZUJWKAYVQWMZ-UHFFFAOYSA-N -1 0 337.419 3.719 20 0 EHADRM C[C@@H]1CCC[C@H](OCC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C1 ZINC000532264277 600883104 /nfs/dbraw/zinc/88/31/04/600883104.db2.gz JMPFCYFYMGZMCH-CJNGLKHVSA-N -1 0 333.428 3.583 20 0 EHADRM COc1ccc([C@H](C)C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC000262709029 600883133 /nfs/dbraw/zinc/88/31/33/600883133.db2.gz DZHXHMFUHLPXHJ-ZDUSSCGKSA-N -1 0 341.407 3.800 20 0 EHADRM CN(Cc1c(Cl)cccc1Cl)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000647117268 600885321 /nfs/dbraw/zinc/88/53/21/600885321.db2.gz OFFYQMJHTXACAN-QWRGUYRKSA-N -1 0 344.238 3.843 20 0 EHADRM CCCCN(Cc1ccccc1F)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000829389872 600885397 /nfs/dbraw/zinc/88/53/97/600885397.db2.gz WBXLOSBTMNDUKO-HUUCEWRRSA-N -1 0 335.419 3.845 20 0 EHADRM CC(C)CN(CCc1ccccc1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000826881084 600886257 /nfs/dbraw/zinc/88/62/57/600886257.db2.gz CXLLJLMDPRJEBF-MSOLQXFVSA-N -1 0 331.456 3.605 20 0 EHADRM O=C([O-])CN(CCc1ccc(Cl)cc1Cl)C(=O)CC1CCC1 ZINC000833248302 600889681 /nfs/dbraw/zinc/88/96/81/600889681.db2.gz MMWLBASNLOJDDB-UHFFFAOYSA-N -1 0 344.238 3.639 20 0 EHADRM CC(C)Oc1cccc([C@H](C)NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000179961857 600891508 /nfs/dbraw/zinc/89/15/08/600891508.db2.gz TUCBCLYFXXFLNT-IMJJTQAJSA-N -1 0 333.428 3.542 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000439811427 600901928 /nfs/dbraw/zinc/90/19/28/600901928.db2.gz VCTLFDVHQDBSQO-SJKOYZFVSA-N -1 0 327.355 3.747 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000263269778 600902753 /nfs/dbraw/zinc/90/27/53/600902753.db2.gz LVNVYDVKNCGHMD-MFKMUULPSA-N -1 0 333.384 3.809 20 0 EHADRM COc1ccc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c(C(F)(F)F)c1 ZINC000326599105 600903674 /nfs/dbraw/zinc/90/36/74/600903674.db2.gz FVRCKZDZGXIUTD-VHSXEESVSA-N -1 0 345.317 3.544 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N(C)c1ccc(-c2ccccc2)cc1 ZINC000826792528 600904336 /nfs/dbraw/zinc/90/43/36/600904336.db2.gz AVXUOTWJXUZESU-SFHVURJKSA-N -1 0 340.423 3.999 20 0 EHADRM CCN(C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)c1ccccc1C(=O)[O-] ZINC000737053325 600907629 /nfs/dbraw/zinc/90/76/29/600907629.db2.gz RFZIMSNWXIVEER-UONOGXRCSA-N -1 0 345.345 3.820 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccccc1C(F)(F)F ZINC000353960687 600908862 /nfs/dbraw/zinc/90/88/62/600908862.db2.gz QBMAQAZQQKWPSR-SRVKXCTJSA-N -1 0 343.345 3.774 20 0 EHADRM Cc1cccc2c(CCNC(=O)c3ccccc3NC(=O)[O-])c[nH]c21 ZINC000738746984 600913726 /nfs/dbraw/zinc/91/37/26/600913726.db2.gz BNUDXPPBBUBKIA-UHFFFAOYSA-N -1 0 337.379 3.539 20 0 EHADRM O=C([O-])NCCC(=O)N(C1CC1)[C@H]1CCCC[C@H]1C1CCCCC1 ZINC000833279500 600921687 /nfs/dbraw/zinc/92/16/87/600921687.db2.gz AJNIJUJJPTZDQS-IRXDYDNUSA-N -1 0 336.476 3.774 20 0 EHADRM C[C@@H](CC(=O)N(CCC(=O)[O-])c1cccc(F)c1)c1ccccc1 ZINC000736546475 600938775 /nfs/dbraw/zinc/93/87/75/600938775.db2.gz ZHVLQFZHYVPIQZ-AWEZNQCLSA-N -1 0 329.371 3.827 20 0 EHADRM O=C([O-])CCN(C(=O)c1cc2ccccc2o1)c1cccc(F)c1 ZINC000739709980 600939261 /nfs/dbraw/zinc/93/92/61/600939261.db2.gz AGDFHOOJBIMSJE-UHFFFAOYSA-N -1 0 327.311 3.693 20 0 EHADRM O=C([O-])CCN(C(=O)c1ccc(F)cc1Cl)c1cccc(F)c1 ZINC000739709971 600939274 /nfs/dbraw/zinc/93/92/74/600939274.db2.gz ABGIMWMVZGUGIL-UHFFFAOYSA-N -1 0 339.725 3.740 20 0 EHADRM CCOc1c(F)cccc1C(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC000830027300 600940392 /nfs/dbraw/zinc/94/03/92/600940392.db2.gz WSMYVYRZQJSKSY-UHFFFAOYSA-N -1 0 338.718 3.795 20 0 EHADRM Cc1ccc(C)c(SCc2cccc(C(=O)OCC(=O)[O-])c2)c1 ZINC000832925702 600941780 /nfs/dbraw/zinc/94/17/80/600941780.db2.gz SCRHLQSTOUAFMT-UHFFFAOYSA-N -1 0 330.405 3.837 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)OCc1cccc(C(=O)[O-])c1 ZINC000827427381 600944665 /nfs/dbraw/zinc/94/46/65/600944665.db2.gz HGGMSYLJNXPIFX-ZDUSSCGKSA-N -1 0 330.355 3.836 20 0 EHADRM CC(C)C[C@H](OC(=O)[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000826812590 600953946 /nfs/dbraw/zinc/95/39/46/600953946.db2.gz KOOAZPPZKJPGCZ-GWCFXTLKSA-N -1 0 332.318 3.851 20 0 EHADRM CC(C)C[C@H](OC(=O)CCC(=O)c1ccc2ccccc2c1)C(=O)[O-] ZINC000826815270 600954474 /nfs/dbraw/zinc/95/44/74/600954474.db2.gz YNVBCQOJFKSGCX-SFHVURJKSA-N -1 0 342.391 3.845 20 0 EHADRM CC(C)Nc1ncccc1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000826984581 600959779 /nfs/dbraw/zinc/95/97/79/600959779.db2.gz ZFUHXDGIQYCRGM-UHFFFAOYSA-N -1 0 333.775 3.506 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Oc2ccc(OC(F)(F)F)cc2)c1 ZINC000833291961 600963884 /nfs/dbraw/zinc/96/38/84/600963884.db2.gz XESZBGGPOMTATJ-UHFFFAOYSA-N -1 0 341.241 3.894 20 0 EHADRM O=C([O-])c1ccc(C(=O)Oc2ccc(OC(F)(F)F)cc2)cc1 ZINC000833311785 600963916 /nfs/dbraw/zinc/96/39/16/600963916.db2.gz DDLVPVUBXSRTSV-UHFFFAOYSA-N -1 0 326.226 3.503 20 0 EHADRM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ccc(C(=O)[O-])nc2)o1 ZINC000236983841 600967204 /nfs/dbraw/zinc/96/72/04/600967204.db2.gz APRHYMGALMPPKN-BLLLJJGKSA-N -1 0 342.395 3.549 20 0 EHADRM CN(C(=O)[C@H]1C[C@@]12CCCc1ccccc12)c1ccccc1C(=O)[O-] ZINC000830456472 600967445 /nfs/dbraw/zinc/96/74/45/600967445.db2.gz FXDLWVJWXNHFCC-DYESRHJHSA-N -1 0 335.403 3.642 20 0 EHADRM C[C@]1(C(=O)Nc2cc(C(=O)[O-])ccc2F)CCc2ccccc2C1 ZINC000827976565 600968354 /nfs/dbraw/zinc/96/83/54/600968354.db2.gz RBTCHOBHOODEFG-IBGZPJMESA-N -1 0 327.355 3.658 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000245637190 600968522 /nfs/dbraw/zinc/96/85/22/600968522.db2.gz ACYBLBQVBFHOBA-KSZLIROESA-N -1 0 329.440 3.940 20 0 EHADRM CCc1ccc([C@@H]2CCCCN2C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)o1 ZINC000263526163 600968547 /nfs/dbraw/zinc/96/85/47/600968547.db2.gz JXICLTOBKOCEKM-LZWOXQAQSA-N -1 0 333.428 3.787 20 0 EHADRM Cc1ccccc1NC(=O)CCSCc1cccc(C(=O)[O-])c1 ZINC000832978449 600968848 /nfs/dbraw/zinc/96/88/48/600968848.db2.gz GAJZCVRIKGVRAG-UHFFFAOYSA-N -1 0 329.421 3.955 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000833338891 600971219 /nfs/dbraw/zinc/97/12/19/600971219.db2.gz PZYWYIBFINCXST-KBXCAEBGSA-N -1 0 327.405 3.679 20 0 EHADRM Cc1nc(C2CCCC2)sc1C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000679397986 600971223 /nfs/dbraw/zinc/97/12/23/600971223.db2.gz XRUILPWCNWBETG-ZDUSSCGKSA-N -1 0 336.457 3.579 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000829009357 600972566 /nfs/dbraw/zinc/97/25/66/600972566.db2.gz BZYOPKGEDICECU-ZOWXZIJZSA-N -1 0 337.391 3.836 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000180129079 600973351 /nfs/dbraw/zinc/97/33/51/600973351.db2.gz CXXCFFNSGAYSEZ-OKZBNKHCSA-N -1 0 331.456 3.666 20 0 EHADRM Cc1ccoc1C(=O)Nc1c(C)c(Br)ccc1C(=O)[O-] ZINC000832985085 600978486 /nfs/dbraw/zinc/97/84/86/600978486.db2.gz ZTFOILJFGWGMKJ-UHFFFAOYSA-N -1 0 338.157 3.609 20 0 EHADRM C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-])c1cccnc1 ZINC000826012089 600995364 /nfs/dbraw/zinc/99/53/64/600995364.db2.gz CVMPQLDZDNQDNU-VIFPVBQESA-N -1 0 338.285 3.541 20 0 EHADRM O=C([O-])CCNC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000833237272 600996212 /nfs/dbraw/zinc/99/62/12/600996212.db2.gz NUXMGXVSLIAJIL-UHFFFAOYSA-N -1 0 334.759 3.729 20 0 EHADRM Cc1noc(C(F)(F)F)c1C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000833020917 601000335 /nfs/dbraw/zinc/00/03/35/601000335.db2.gz NENIWLWUGABMIK-UHFFFAOYSA-N -1 0 348.664 3.606 20 0 EHADRM O=C([O-])C1(NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CCCC1 ZINC000237940320 601000995 /nfs/dbraw/zinc/00/09/95/601000995.db2.gz TUVPMDSCIJHSTR-CHWSQXEVSA-N -1 0 342.222 3.611 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cc(Cl)ccc2NC2CC2)cc1 ZINC000833311658 601001710 /nfs/dbraw/zinc/00/17/10/601001710.db2.gz YRAPBTRSWOEWLM-UHFFFAOYSA-N -1 0 330.771 3.865 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1cc(C(C)(C)C)on1 ZINC000262628503 601005215 /nfs/dbraw/zinc/00/52/15/601005215.db2.gz NZAVNVVBBSMICV-UHFFFAOYSA-N -1 0 346.383 3.710 20 0 EHADRM CCCCCC[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000736983173 601008173 /nfs/dbraw/zinc/00/81/73/601008173.db2.gz AYKHFEJUQKSKFK-ABAIWWIYSA-N -1 0 327.371 3.813 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2CCSc3ccccc32)ccc1C(=O)[O-] ZINC000535589578 601009498 /nfs/dbraw/zinc/00/94/98/601009498.db2.gz NAZZVINMNGVGPY-OAHLLOKOSA-N -1 0 327.405 3.911 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@H](C)c1cccc(F)c1)c1ccccc1 ZINC000736848654 601011518 /nfs/dbraw/zinc/01/15/18/601011518.db2.gz OBIUHOVTMGHPBL-CXAGYDPISA-N -1 0 329.371 3.826 20 0 EHADRM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000828121400 601012381 /nfs/dbraw/zinc/01/23/81/601012381.db2.gz GJRKLGHSDZLNNK-MAUKXSAKSA-N -1 0 346.333 3.515 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@@H]2C[C@H]2C2CCCCC2)c(F)cc1F ZINC000833150658 601013040 /nfs/dbraw/zinc/01/30/40/601013040.db2.gz HWZXTJBWTKLNOE-IINYFYTJSA-N -1 0 338.354 3.753 20 0 EHADRM C[C@@H](CCc1cccn1C)NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000827427575 601013538 /nfs/dbraw/zinc/01/35/38/601013538.db2.gz KZTDYMLGTSMFHF-NSHDSACASA-N -1 0 349.818 3.520 20 0 EHADRM C[C@@H](CNC(=O)Nc1cccc(NC(=O)[O-])c1)Oc1cccc(F)c1 ZINC000827492538 601021985 /nfs/dbraw/zinc/02/19/85/601021985.db2.gz DFGCWWCXBJUGIT-NSHDSACASA-N -1 0 347.346 3.505 20 0 EHADRM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000828122340 601023015 /nfs/dbraw/zinc/02/30/15/601023015.db2.gz OTZZUGDUEXFKMN-MAUKXSAKSA-N -1 0 325.368 3.628 20 0 EHADRM CCO[C@@H](C)c1nc(CN(C)[C@H](C)c2ccc(C(=O)[O-])o2)cs1 ZINC000568992545 601023797 /nfs/dbraw/zinc/02/37/97/601023797.db2.gz OXDBRSGTZQYPTM-MNOVXSKESA-N -1 0 338.429 3.725 20 0 EHADRM CC(C)c1nc(C(=O)N(CCC(=O)[O-])c2cccc(F)c2)cs1 ZINC000736522322 601025094 /nfs/dbraw/zinc/02/50/94/601025094.db2.gz DZWCLPMPEKJOHK-UHFFFAOYSA-N -1 0 336.388 3.527 20 0 EHADRM CCCOc1ccc(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])c(C)c1 ZINC000424461817 601027371 /nfs/dbraw/zinc/02/73/71/601027371.db2.gz ANGWUTFPHQNTNO-AWEZNQCLSA-N -1 0 336.432 3.652 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)cc1 ZINC000830514438 601030098 /nfs/dbraw/zinc/03/00/98/601030098.db2.gz RTUSZCVZNVRWPA-VNHYZAJKSA-N -1 0 331.416 3.891 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)N[C@H]2C[C@H]2Cc2ccccc2)cc1 ZINC000830514084 601030298 /nfs/dbraw/zinc/03/02/98/601030298.db2.gz MJWFZZZZIKBQIG-PBHICJAKSA-N -1 0 339.395 3.554 20 0 EHADRM CO[C@H](C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000737737899 601033807 /nfs/dbraw/zinc/03/38/07/601033807.db2.gz VHCWKGJYBFNUOG-SNVBAGLBSA-N -1 0 349.770 3.804 20 0 EHADRM CCc1sc(C(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)cc1C ZINC000737292644 601040281 /nfs/dbraw/zinc/04/02/81/601040281.db2.gz TVNQWTIFHYYBNV-UHFFFAOYSA-N -1 0 336.438 3.583 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)CCCN(C)C(=O)[O-] ZINC000736903405 601044209 /nfs/dbraw/zinc/04/42/09/601044209.db2.gz IXUBRWXPHDWXHJ-KRWDZBQOSA-N -1 0 334.460 3.555 20 0 EHADRM CC(C)[C@@H](NC(=O)C[C@@H](Cc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000346018542 601053498 /nfs/dbraw/zinc/05/34/98/601053498.db2.gz RBQRCRJQJIJRNU-UYAOXDASSA-N -1 0 339.435 3.628 20 0 EHADRM Cc1[nH]c(C(=O)CN2CC[C@H](C)C[C@@H]2c2ccco2)c(C)c1C(=O)[O-] ZINC000832844051 601053583 /nfs/dbraw/zinc/05/35/83/601053583.db2.gz LNPAJOPXGAIQAP-SMDDNHRTSA-N -1 0 344.411 3.579 20 0 EHADRM Cc1cccc(OCCCC(=O)O[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000832972013 601057784 /nfs/dbraw/zinc/05/77/84/601057784.db2.gz DQXVPPKXPWUFJV-SFHVURJKSA-N -1 0 346.354 3.662 20 0 EHADRM Cc1ccc(NC(=O)c2nc(C(C)C)ncc2Cl)cc1C(=O)[O-] ZINC000236867315 601065161 /nfs/dbraw/zinc/06/51/61/601065161.db2.gz JIGPQZUAZLJCGE-UHFFFAOYSA-N -1 0 333.775 3.512 20 0 EHADRM Cc1ccc(NC(=O)c2cn(C)nc2C2CCCCC2)cc1C(=O)[O-] ZINC000262241571 601065606 /nfs/dbraw/zinc/06/56/06/601065606.db2.gz WOQGEGXBIISKLV-UHFFFAOYSA-N -1 0 341.411 3.727 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccc(Cl)cc1F)c1ccccc1F ZINC000833352220 601070435 /nfs/dbraw/zinc/07/04/35/601070435.db2.gz UEIRJXNBGVTBGX-ZDUSSCGKSA-N -1 0 326.682 3.601 20 0 EHADRM CC(C)Sc1c(Cl)cccc1NC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000263019711 601072692 /nfs/dbraw/zinc/07/26/92/601072692.db2.gz IWJBEAPQEMFEFQ-SNVBAGLBSA-N -1 0 342.848 3.779 20 0 EHADRM C/C(=C\C(=O)NC[C@H](C(=O)[O-])c1ccccc1)c1ccccc1Cl ZINC000736119643 601073503 /nfs/dbraw/zinc/07/35/03/601073503.db2.gz BATOZSKHLDMVMA-BYIUCRAPSA-N -1 0 343.810 3.728 20 0 EHADRM Cc1cccc(CC(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)c1 ZINC000832967550 601077949 /nfs/dbraw/zinc/07/79/49/601077949.db2.gz HMVLMHCFMIEAGF-UHFFFAOYSA-N -1 0 332.425 3.628 20 0 EHADRM Cc1cccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c1C ZINC000832963747 601078657 /nfs/dbraw/zinc/07/86/57/601078657.db2.gz LSGJHOWKTZCOCK-FUHWJXTLSA-N -1 0 329.440 3.799 20 0 EHADRM CCCc1c(C(=O)N2Cc3ccccc3[C@H]2C)[nH]c(C)c1C(=O)[O-] ZINC000829557048 601084804 /nfs/dbraw/zinc/08/48/04/601084804.db2.gz WMUBGPSHMVULDW-GFCCVEGCSA-N -1 0 326.396 3.691 20 0 EHADRM CCOc1ccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cc1 ZINC000830059580 601093288 /nfs/dbraw/zinc/09/32/88/601093288.db2.gz GWZHVXGWQMNJJY-FUHWJXTLSA-N -1 0 345.439 3.581 20 0 EHADRM Cc1cccc(C)c1OCCC(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000832964809 601101446 /nfs/dbraw/zinc/10/14/46/601101446.db2.gz BMDSNQLAAGFHNC-GOSISDBHSA-N -1 0 346.354 3.581 20 0 EHADRM O=C([O-])[C@@H](OC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1F ZINC000833349330 601112170 /nfs/dbraw/zinc/11/21/70/601112170.db2.gz BTEWIMBXABMVDG-NRUUGDAUSA-N -1 0 348.292 3.863 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000320245469 601112998 /nfs/dbraw/zinc/11/29/98/601112998.db2.gz ZGGRISKKIQTZHS-UHFFFAOYSA-N -1 0 334.759 3.578 20 0 EHADRM CCN(C(=O)c1ccc(Cl)cc1Cl)c1ncc(C(=O)[O-])s1 ZINC000737059528 601113597 /nfs/dbraw/zinc/11/35/97/601113597.db2.gz PZVWMLKXRRHHBP-UHFFFAOYSA-N -1 0 345.207 3.815 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1C(F)(F)F ZINC000389950431 601126317 /nfs/dbraw/zinc/12/63/17/601126317.db2.gz NIAPWFGNCMFBQM-GHMZBOCLSA-N -1 0 329.318 3.843 20 0 EHADRM Cc1cc(NC(=O)Cc2coc3cc(F)ccc23)sc1C(=O)[O-] ZINC000832893031 601126675 /nfs/dbraw/zinc/12/66/75/601126675.db2.gz PVPQFTZWUDKRQV-UHFFFAOYSA-N -1 0 333.340 3.821 20 0 EHADRM Cc1cc(C(=O)N2CCCc3c(C(=O)[O-])cccc32)c(F)cc1F ZINC000325576100 601135773 /nfs/dbraw/zinc/13/57/73/601135773.db2.gz KCFJLFHVVWEFPP-UHFFFAOYSA-N -1 0 331.318 3.564 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(Oc2ccccc2)o1)c1ccccc1 ZINC000238019461 601137149 /nfs/dbraw/zinc/13/71/49/601137149.db2.gz MYVPOBMOFATORM-KRWDZBQOSA-N -1 0 337.331 3.628 20 0 EHADRM CC[C@@](NC(=O)c1cnc2ccccc2c1C)(C(=O)[O-])c1ccccc1 ZINC000431434529 601137783 /nfs/dbraw/zinc/13/77/83/601137783.db2.gz OMQKGIXGIBLJAC-NRFANRHFSA-N -1 0 348.402 3.663 20 0 EHADRM COc1cccc(F)c1[C@H](C)NC(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000832558205 601138015 /nfs/dbraw/zinc/13/80/15/601138015.db2.gz GJFFXNKAUUIONU-NSHDSACASA-N -1 0 346.358 3.724 20 0 EHADRM Cc1cc(NC(=O)c2ccc(Oc3ccccc3)o2)c(C(=O)[O-])[nH]1 ZINC000832896322 601138151 /nfs/dbraw/zinc/13/81/51/601138151.db2.gz RLXJSKGOZPCUDY-UHFFFAOYSA-N -1 0 326.308 3.659 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc(Oc2ccccc2)o1)c1ccccc1 ZINC000156342735 601138380 /nfs/dbraw/zinc/13/83/80/601138380.db2.gz ZTTYKXLFKAITAK-UHFFFAOYSA-N -1 0 337.331 3.803 20 0 EHADRM Cc1c(C(=O)Nc2ccc(CNC(=O)[O-])cc2)cnc2ccccc12 ZINC000832851756 601138483 /nfs/dbraw/zinc/13/84/83/601138483.db2.gz YEGREPMXYKFXNH-UHFFFAOYSA-N -1 0 335.363 3.563 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1ccc(Oc2ccccc2)o1)C(=O)[O-] ZINC000262167890 601138924 /nfs/dbraw/zinc/13/89/24/601138924.db2.gz NLWGAFSQYBFJGO-CYBMUJFWSA-N -1 0 331.368 3.549 20 0 EHADRM Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)s1 ZINC000832994820 601140001 /nfs/dbraw/zinc/14/00/01/601140001.db2.gz QYKICLBBUONPKT-NSHDSACASA-N -1 0 347.440 3.991 20 0 EHADRM Cc1ccc(NC(=O)NCc2nc3ccccc3s2)cc1C(=O)[O-] ZINC000832948397 601143569 /nfs/dbraw/zinc/14/35/69/601143569.db2.gz KQERKIFTTZVIOJ-UHFFFAOYSA-N -1 0 341.392 3.625 20 0 EHADRM Cc1ccc(NC(=O)N(C)CCCOc2ccccc2)cc1C(=O)[O-] ZINC000832944357 601144929 /nfs/dbraw/zinc/14/49/29/601144929.db2.gz BWZMXSKIROPPGO-UHFFFAOYSA-N -1 0 342.395 3.626 20 0 EHADRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)c(F)cc1F ZINC000318033807 601150656 /nfs/dbraw/zinc/15/06/56/601150656.db2.gz RAZAKQZBEXQZMI-UHFFFAOYSA-N -1 0 325.698 3.877 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000630294198 601158452 /nfs/dbraw/zinc/15/84/52/601158452.db2.gz GURKZQGLKWFMJE-ILMPWQCYSA-N -1 0 329.440 3.671 20 0 EHADRM COc1ccc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c(Cl)c1 ZINC000832169717 601169887 /nfs/dbraw/zinc/16/98/87/601169887.db2.gz DVCQPBAXSJOICJ-BZNIZROVSA-N -1 0 347.798 3.540 20 0 EHADRM Cc1nc2ccccc2cc1C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000833005379 601171866 /nfs/dbraw/zinc/17/18/66/601171866.db2.gz AGJFMICBMDKPBR-DJJJIMSYSA-N -1 0 348.402 3.735 20 0 EHADRM O=C([O-])CC1(NC(=O)Cc2cccc(C(F)(F)F)c2)CCCCC1 ZINC000325677123 601184436 /nfs/dbraw/zinc/18/44/36/601184436.db2.gz HFDQVMGCYAYPQP-UHFFFAOYSA-N -1 0 343.345 3.542 20 0 EHADRM Cc1c(C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)cnc2ccccc12 ZINC000832853150 601189001 /nfs/dbraw/zinc/18/90/01/601189001.db2.gz DELFVNMSFRZFRN-QGZVFWFLSA-N -1 0 339.322 3.665 20 0 EHADRM CCS[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000830156943 601191779 /nfs/dbraw/zinc/19/17/79/601191779.db2.gz BDJYOGGKXDUGPB-KBPBESRZSA-N -1 0 337.445 3.597 20 0 EHADRM CCS[C@H]1CCC[C@H](NC(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000830158169 601192765 /nfs/dbraw/zinc/19/27/65/601192765.db2.gz SCXHZBUPJBEEAT-RYUDHWBXSA-N -1 0 340.420 3.710 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C/C=C/c1ccc(F)cc1 ZINC000237268936 601196253 /nfs/dbraw/zinc/19/62/53/601196253.db2.gz KUFXEHQMNRCANJ-NSCUHMNNSA-N -1 0 327.355 3.586 20 0 EHADRM C[C@@H]1[C@H](Cc2ccccc2)CCN1c1nc(Cl)c(C(=O)[O-])s1 ZINC000828151626 601200572 /nfs/dbraw/zinc/20/05/72/601200572.db2.gz XFHZMIGNERNKRK-PWSUYJOCSA-N -1 0 336.844 3.952 20 0 EHADRM CCO[C@H](C)c1nc(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cs1 ZINC000829902025 601202973 /nfs/dbraw/zinc/20/29/73/601202973.db2.gz XJIOERQMCQEXRC-XJKCOSOUSA-N -1 0 348.468 3.792 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)C(C)(C)C ZINC000263280244 601213595 /nfs/dbraw/zinc/21/35/95/601213595.db2.gz SWYNTPQMFWLVTG-HOCLYGCPSA-N -1 0 332.444 3.588 20 0 EHADRM CCCCC[C@@H](C)NC(=O)CNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000829304215 601246626 /nfs/dbraw/zinc/24/66/26/601246626.db2.gz AJOUHZQSVCRIAA-LLVKDONJSA-N -1 0 326.824 3.535 20 0 EHADRM CCCCC[C@H](C)NC(=O)CNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000829304217 601246715 /nfs/dbraw/zinc/24/67/15/601246715.db2.gz AJOUHZQSVCRIAA-NSHDSACASA-N -1 0 326.824 3.535 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NCCOc1ccccc1Cl ZINC000832902434 601248894 /nfs/dbraw/zinc/24/88/94/601248894.db2.gz WANJOBXLTJWMMX-UHFFFAOYSA-N -1 0 335.787 3.603 20 0 EHADRM Cc1nc2ccccc2nc1CNc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000833005833 601251304 /nfs/dbraw/zinc/25/13/04/601251304.db2.gz HICFNLUUMNIQDJ-UHFFFAOYSA-N -1 0 335.407 3.913 20 0 EHADRM O=C([O-])c1sc(NC[C@H]2SCCc3ccccc32)nc1Cl ZINC000833346128 601253054 /nfs/dbraw/zinc/25/30/54/601253054.db2.gz IYTDXNAFKUZKCV-SNVBAGLBSA-N -1 0 340.857 3.937 20 0 EHADRM COc1cccc(/C(C)=C\C(=O)Nc2cccc(C(=O)[O-])c2C)c1 ZINC000776607063 601253321 /nfs/dbraw/zinc/25/33/21/601253321.db2.gz HHWISTUSKPEZOQ-BENRWUELSA-N -1 0 325.364 3.744 20 0 EHADRM CCC1(C(=O)Nc2nc(-c3ccccc3)c(CC(=O)[O-])s2)CCC1 ZINC000829039585 601256431 /nfs/dbraw/zinc/25/64/31/601256431.db2.gz ZNANGCCNMIHARP-UHFFFAOYSA-N -1 0 344.436 3.956 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)CCCN(C)C(=O)[O-] ZINC000827934030 601271073 /nfs/dbraw/zinc/27/10/73/601271073.db2.gz AUCACSHATQZKLR-QWHCGFSZSA-N -1 0 340.851 3.680 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)c1cccc(C(=O)[O-])n1 ZINC000832853847 601272245 /nfs/dbraw/zinc/27/22/45/601272245.db2.gz VZNZSXNYQQLAGY-UHFFFAOYSA-N -1 0 342.395 3.656 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000776630610 601276325 /nfs/dbraw/zinc/27/63/25/601276325.db2.gz OTYGWCGJSYJOBP-INIZCTEOSA-N -1 0 331.343 3.628 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000829014824 601276494 /nfs/dbraw/zinc/27/64/94/601276494.db2.gz RKMSPFPWXSWJCS-MRXNPFEDSA-N -1 0 349.333 3.768 20 0 EHADRM CCC1CCC(NC(=O)Cc2c[nH]c3cc(C)ccc23)(C(=O)[O-])CC1 ZINC000776646891 601276969 /nfs/dbraw/zinc/27/69/69/601276969.db2.gz RGXSTRJDSDMNST-UHFFFAOYSA-N -1 0 342.439 3.559 20 0 EHADRM CO[C@@H](C)c1nc(C)c(C(=O)Nc2cccc(NC(=O)[O-])c2)s1 ZINC000831501720 601277631 /nfs/dbraw/zinc/27/76/31/601277631.db2.gz WVFJBRINUVCBQZ-VIFPVBQESA-N -1 0 335.385 3.501 20 0 EHADRM CCc1[nH]c(C(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)c(C)c1C(=O)[O-] ZINC000830183020 601279083 /nfs/dbraw/zinc/27/90/83/601279083.db2.gz ACFWAKFMABERPY-UKRRQHHQSA-N -1 0 340.423 3.602 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)C/C=C/c2ccc(F)cc2)cc1 ZINC000238025618 601281964 /nfs/dbraw/zinc/28/19/64/601281964.db2.gz GZVPSLYUNFEMTL-OWOJBTEDSA-N -1 0 327.355 3.885 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)C/C=C/c2cccc(F)c2)cc1 ZINC000238025647 601283589 /nfs/dbraw/zinc/28/35/89/601283589.db2.gz SXPRZYJSGQNNQB-DUXPYHPUSA-N -1 0 327.355 3.885 20 0 EHADRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)c1cccc2[nH]ccc21 ZINC000833178699 601292138 /nfs/dbraw/zinc/29/21/38/601292138.db2.gz IIKJDSBNSMBNQV-KBXCAEBGSA-N -1 0 340.423 3.664 20 0 EHADRM Cc1ccccc1SCC(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000237612221 601296130 /nfs/dbraw/zinc/29/61/30/601296130.db2.gz IIXIFTSIAUNCAC-KSSFIOAISA-N -1 0 343.448 3.665 20 0 EHADRM Cc1ccc(SCC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000237612048 601298050 /nfs/dbraw/zinc/29/80/50/601298050.db2.gz JKWKSGCQFUMRKQ-KSSFIOAISA-N -1 0 343.448 3.665 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1ccnc(Oc2ccccc2)c1 ZINC000569654957 601307190 /nfs/dbraw/zinc/30/71/90/601307190.db2.gz GDCDILQQFSQNPO-UHFFFAOYSA-N -1 0 342.395 3.637 20 0 EHADRM CCc1ccc(NC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000830253743 601308526 /nfs/dbraw/zinc/30/85/26/601308526.db2.gz LSOZVBFVYBYCKK-MRXNPFEDSA-N -1 0 330.359 3.726 20 0 EHADRM Cc1ccc(NC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)cc1C ZINC000832946297 601309126 /nfs/dbraw/zinc/30/91/26/601309126.db2.gz GLKRENKTTVNDJE-MRXNPFEDSA-N -1 0 330.359 3.780 20 0 EHADRM Cn1cc(NC(=O)c2ccccc2CCc2ccccc2)cc1C(=O)[O-] ZINC000833050558 601312249 /nfs/dbraw/zinc/31/22/49/601312249.db2.gz HDWPVYNRJNVERQ-UHFFFAOYSA-N -1 0 348.402 3.761 20 0 EHADRM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000832856865 601316480 /nfs/dbraw/zinc/31/64/80/601316480.db2.gz WITNBVAOFQZTOK-ZDUSSCGKSA-N -1 0 343.427 3.740 20 0 EHADRM Cn1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc1C(=O)[O-] ZINC000833051132 601320494 /nfs/dbraw/zinc/32/04/94/601320494.db2.gz AVURKZWFZFIORJ-UHFFFAOYSA-N -1 0 336.347 3.768 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000828201576 601335257 /nfs/dbraw/zinc/33/52/57/601335257.db2.gz UQZDMPYAXPCJKG-CPUCHLNUSA-N -1 0 346.427 3.725 20 0 EHADRM Cc1cccc([C@H](NC(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C)(C)C)c1 ZINC000263226792 601337274 /nfs/dbraw/zinc/33/72/74/601337274.db2.gz LYLAUKOEQSPZQX-CVEARBPZSA-N -1 0 332.444 3.588 20 0 EHADRM Cc1cccc([C@H](NC(=O)N2CCC(CC(=O)[O-])CC2)C(C)(C)C)c1 ZINC000832964313 601338179 /nfs/dbraw/zinc/33/81/79/601338179.db2.gz GDWZMKSBCVUPIW-SFHVURJKSA-N -1 0 346.471 3.979 20 0 EHADRM Cc1ccc(NC(=O)NC[C@@H](c2cccnc2)C(C)C)cc1C(=O)[O-] ZINC000832944276 601338935 /nfs/dbraw/zinc/33/89/35/601338935.db2.gz AZLWSACEIVZNHK-QGZVFWFLSA-N -1 0 341.411 3.650 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=S)NCCCC(=O)[O-] ZINC000827935654 601339764 /nfs/dbraw/zinc/33/97/64/601339764.db2.gz UNMVSQHDEUJJES-NWDGAFQWSA-N -1 0 342.892 3.503 20 0 EHADRM CCOc1ccc(CSc2nc3ccc(C(=O)[O-])cc3o2)nc1 ZINC000830080697 601340691 /nfs/dbraw/zinc/34/06/91/601340691.db2.gz SEIVLNNXHKNGNM-UHFFFAOYSA-N -1 0 330.365 3.612 20 0 EHADRM C[C@@H](SCc1ncc(-c2ccc(Br)cc2)o1)C(=O)[O-] ZINC000827908972 601345353 /nfs/dbraw/zinc/34/53/53/601345353.db2.gz PIBXRPORCXCFAW-MRVPVSSYSA-N -1 0 342.214 3.810 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)C/C=C\c1ccc(F)cc1 ZINC000832523599 601350497 /nfs/dbraw/zinc/35/04/97/601350497.db2.gz KUXWJBPBRMRUAM-RQOWECAXSA-N -1 0 330.311 3.541 20 0 EHADRM O=C([O-])c1cccc(OCc2noc(/C=C\c3cccs3)n2)c1 ZINC000833332427 601366582 /nfs/dbraw/zinc/36/65/82/601366582.db2.gz NNGQCNIAALUHSW-SREVYHEPSA-N -1 0 328.349 3.579 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=S)Nc1ccc(OC(F)F)cc1 ZINC000828797203 601378116 /nfs/dbraw/zinc/37/81/16/601378116.db2.gz YETOLLJGCWGTIW-UHFFFAOYSA-N -1 0 346.399 3.608 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1cccc(C(=O)NC(C)(C)C)c1 ZINC000830379012 601390155 /nfs/dbraw/zinc/39/01/55/601390155.db2.gz GFHCYYDJJFGKEO-UHFFFAOYSA-N -1 0 344.411 3.681 20 0 EHADRM C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccccc1)c1ccc(Cl)s1 ZINC000178277522 601391579 /nfs/dbraw/zinc/39/15/79/601391579.db2.gz SWPXRDXTTQYZHS-JQWIXIFHSA-N -1 0 337.828 3.837 20 0 EHADRM C[C@@H](C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)c1ccc(Cl)s1 ZINC000826022248 601393585 /nfs/dbraw/zinc/39/35/85/601393585.db2.gz ZLWBBDHAQGPLGZ-SSDOTTSWSA-N -1 0 349.799 3.718 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)/C=C/c1ccc(Cl)s1)c1ccccc1 ZINC000767074338 601394240 /nfs/dbraw/zinc/39/42/40/601394240.db2.gz PVAKHAJNBSSDAX-DTHYFZMUSA-N -1 0 349.839 3.993 20 0 EHADRM C[C@H](C(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccc(Cl)s1 ZINC000432001371 601394423 /nfs/dbraw/zinc/39/44/23/601394423.db2.gz QJPLGXMUVSQRMO-VIFPVBQESA-N -1 0 339.800 3.607 20 0 EHADRM C[C@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])c1ccc(Cl)s1 ZINC000190733332 601396501 /nfs/dbraw/zinc/39/65/01/601396501.db2.gz VSJHXXGUVYCEOC-GWCFXTLKSA-N -1 0 349.839 3.543 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000237175609 601400763 /nfs/dbraw/zinc/40/07/63/601400763.db2.gz JGMREZINFQWIBV-AWEZNQCLSA-N -1 0 341.407 3.845 20 0 EHADRM C[C@@H](C(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1)C1CC1 ZINC000826070578 601404164 /nfs/dbraw/zinc/40/41/64/601404164.db2.gz BLCWBHALQRWRPC-SNVBAGLBSA-N -1 0 331.393 3.598 20 0 EHADRM C/C(=C\COC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)[O-] ZINC000825786465 601406529 /nfs/dbraw/zinc/40/65/29/601406529.db2.gz JXECIGITDOXKRF-QPJJXVBHSA-N -1 0 328.748 3.882 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000828758073 601407563 /nfs/dbraw/zinc/40/75/63/601407563.db2.gz GSUDOMWAEXAQPP-KBXCAEBGSA-N -1 0 341.407 3.762 20 0 EHADRM C/C(=C/COC(=O)c1ccccc1SCc1ccco1)C(=O)[O-] ZINC000825781087 601412840 /nfs/dbraw/zinc/41/28/40/601412840.db2.gz PFXIPCKVKMIHPD-WQLSENKSSA-N -1 0 332.377 3.760 20 0 EHADRM C/C(=C/COC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000825786497 601412937 /nfs/dbraw/zinc/41/29/37/601412937.db2.gz KMOAQHYFMITXIP-TWGQIWQCSA-N -1 0 337.784 3.651 20 0 EHADRM C/C(=C\COC(=O)c1cnc(-c2ccccc2Cl)s1)C(=O)[O-] ZINC000825786994 601421523 /nfs/dbraw/zinc/42/15/23/601421523.db2.gz SMLSWQQWIPNAPC-RMKNXTFCSA-N -1 0 337.784 3.651 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CCC1 ZINC000262556569 601438248 /nfs/dbraw/zinc/43/82/48/601438248.db2.gz WRLFPKJPDKQXRN-CHWSQXEVSA-N -1 0 342.222 3.611 20 0 EHADRM O=C([O-])CCN(C(=O)C/C=C\c1cccc(F)c1)c1cccc(F)c1 ZINC000833231334 601449166 /nfs/dbraw/zinc/44/91/66/601449166.db2.gz QJCPMKGBVBROCW-DJWKRKHSSA-N -1 0 345.345 3.876 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)[C@@H](C)c3cccs3)ccc2n1C ZINC000832851478 601450745 /nfs/dbraw/zinc/45/07/45/601450745.db2.gz RGVJKZQFKMSWAI-JTQLQIEISA-N -1 0 343.404 3.956 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=S)Nc1ccc(Cl)cc1Cl ZINC000828652305 601472350 /nfs/dbraw/zinc/47/23/50/601472350.db2.gz IDWXBSBKALLDQW-CYBMUJFWSA-N -1 0 335.256 3.923 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000825798738 601472539 /nfs/dbraw/zinc/47/25/39/601472539.db2.gz VVEVSMYCNBPEMG-SIFUEBAJSA-N -1 0 332.302 3.737 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000825798558 601472570 /nfs/dbraw/zinc/47/25/70/601472570.db2.gz OGUGJKPBADNZAO-SNGWPZLWSA-N -1 0 332.302 3.737 20 0 EHADRM COc1ccc([C@H](C)CC(=O)OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000832220708 601474494 /nfs/dbraw/zinc/47/44/94/601474494.db2.gz DEPVCQAYIJMBHT-CYBMUJFWSA-N -1 0 328.364 3.630 20 0 EHADRM C[C@H]1CC/C(=C/C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC000828200273 601498619 /nfs/dbraw/zinc/49/86/19/601498619.db2.gz DRBPEEURMDZWIW-UROBUVALSA-N -1 0 328.412 3.670 20 0 EHADRM CC(C)C(=O)Nc1ccc(OC(=O)c2ccc(NC(=O)[O-])cc2)cc1 ZINC000826658719 601517795 /nfs/dbraw/zinc/51/77/95/601517795.db2.gz XVTUMAJLSYYKJZ-UHFFFAOYSA-N -1 0 342.351 3.590 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)s1)C1CC1 ZINC000767074693 601532787 /nfs/dbraw/zinc/53/27/87/601532787.db2.gz QJRKQZIMDBLMCC-CYBMUJFWSA-N -1 0 333.384 3.537 20 0 EHADRM CCCc1ccccc1NC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000262213355 601532985 /nfs/dbraw/zinc/53/29/85/601532985.db2.gz QDFRPZWFIQRMGU-UHFFFAOYSA-N -1 0 341.407 3.972 20 0 EHADRM O=C([O-])[C@H](NC(=O)C/C=C\c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000540666264 601584696 /nfs/dbraw/zinc/58/46/96/601584696.db2.gz BAVSAKIWARPYIN-POKLJVKSSA-N -1 0 347.773 3.825 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc(Cl)cc1F)c1ccc(Cl)cc1 ZINC000345824436 601586518 /nfs/dbraw/zinc/58/65/18/601586518.db2.gz CQDTUGNCKOGIFG-CYBMUJFWSA-N -1 0 342.153 3.688 20 0 EHADRM Cc1cccc([C@H](C)C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000537364096 601587380 /nfs/dbraw/zinc/58/73/80/601587380.db2.gz QXCPTKAORIAILJ-BLLLJJGKSA-N -1 0 331.799 3.694 20 0 EHADRM CSCc1cc(C(=O)O[C@H](C(=O)[O-])c2ccccc2)ccc1F ZINC000832766759 601590259 /nfs/dbraw/zinc/59/02/59/601590259.db2.gz LTJQFTXUQZVISH-HNNXBMFYSA-N -1 0 334.368 3.671 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)s1)C1CC1 ZINC000346014700 601596531 /nfs/dbraw/zinc/59/65/31/601596531.db2.gz KSPOQZNMJHCYDZ-AWEZNQCLSA-N -1 0 335.812 3.662 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)OCc2cc3c(cccc3Cl)[nH]2)C1 ZINC000833187022 601599659 /nfs/dbraw/zinc/59/96/59/601599659.db2.gz HZKWUUPRRUEZAL-MNOVXSKESA-N -1 0 335.787 3.756 20 0 EHADRM O=C([O-])C1(CNC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)CCCC1 ZINC000678983473 601602315 /nfs/dbraw/zinc/60/23/15/601602315.db2.gz SDAHANMQDFUQST-QZTJIDSGSA-N -1 0 337.419 3.705 20 0 EHADRM Cc1ccccc1Cc1nc(CNc2cc(C(=O)[O-])ccc2C)no1 ZINC000832978086 601605360 /nfs/dbraw/zinc/60/53/60/601605360.db2.gz ICRRVBFKNQMBPC-UHFFFAOYSA-N -1 0 337.379 3.588 20 0 EHADRM Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000236730685 601614236 /nfs/dbraw/zinc/61/42/36/601614236.db2.gz SFLXBJAATTYBKB-UHFFFAOYSA-N -1 0 341.407 3.763 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1cccc(C(F)(F)F)c1F ZINC000336877857 601614519 /nfs/dbraw/zinc/61/45/19/601614519.db2.gz YBIVYMGDLXYCAK-UHFFFAOYSA-N -1 0 341.260 3.724 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)Nc1ccc2c(c1)CCC2)c1ccccc1 ZINC000826038552 601615017 /nfs/dbraw/zinc/61/50/17/601615017.db2.gz GLNXIZGTGDZDMI-SCLBCKFNSA-N -1 0 338.407 3.759 20 0 EHADRM Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000237431260 601616001 /nfs/dbraw/zinc/61/60/01/601616001.db2.gz CKPJOSMSOJKGNU-GFCCVEGCSA-N -1 0 347.798 3.682 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000238092691 601616804 /nfs/dbraw/zinc/61/68/04/601616804.db2.gz LKNVASWBHDJYPG-UHFFFAOYSA-N -1 0 341.260 3.724 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)Nc1cccc(Oc2ccccc2)c1)C1CC1 ZINC000327000220 601621540 /nfs/dbraw/zinc/62/15/40/601621540.db2.gz BATQLKXNIJFKAG-QGZVFWFLSA-N -1 0 340.379 3.854 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccccc1Oc1ccc(Cl)cc1)C(=O)[O-] ZINC000827493140 601621798 /nfs/dbraw/zinc/62/17/98/601621798.db2.gz MEGRTDMHOWQFGA-NSHDSACASA-N -1 0 348.786 3.975 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CSc1ncn(-c2ccccc2)n1 ZINC000833031204 601622197 /nfs/dbraw/zinc/62/21/97/601622197.db2.gz GQYUVAMSXJVGTJ-UHFFFAOYSA-N -1 0 331.422 3.628 20 0 EHADRM Cc1cc(NC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])ccc1F ZINC000832894594 601623924 /nfs/dbraw/zinc/62/39/24/601623924.db2.gz FCIQJVQSOXHRIK-LRDDRELGSA-N -1 0 330.359 3.718 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CCc2c1cccc2Cl ZINC000832914931 601626739 /nfs/dbraw/zinc/62/67/39/601626739.db2.gz DIJOMWDIKYMLSP-UHFFFAOYSA-N -1 0 330.771 3.941 20 0 EHADRM CCc1nc(NC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])sc1C ZINC000830318071 601627165 /nfs/dbraw/zinc/62/71/65/601627165.db2.gz MCWNOPIKFBLFBK-QMTHXVAHSA-N -1 0 347.440 3.597 20 0 EHADRM CCN(CC)C(=O)c1ccc(OCc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000829658792 601636425 /nfs/dbraw/zinc/63/64/25/601636425.db2.gz PKQVMUBYZWQVAS-UHFFFAOYSA-N -1 0 345.370 3.585 20 0 EHADRM O=C([O-])CN(C(=O)c1cc(-c2ccccc2)ccc1Cl)C1CC1 ZINC000238086094 601637136 /nfs/dbraw/zinc/63/71/36/601637136.db2.gz KXQVORZIGDMJSF-UHFFFAOYSA-N -1 0 329.783 3.696 20 0 EHADRM CCCCC[C@@H](NC(=O)c1sccc1SC(F)F)C(=O)[O-] ZINC000829340018 601648616 /nfs/dbraw/zinc/64/86/16/601648616.db2.gz OALZLKFMYUSVSY-MRVPVSSYSA-N -1 0 337.413 3.826 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000238127375 601652761 /nfs/dbraw/zinc/65/27/61/601652761.db2.gz DUXBYUFSJBZZFL-UHFFFAOYSA-N -1 0 335.297 3.609 20 0 EHADRM CC(C)c1cc(C(=O)NCCCCCC(=O)[O-])c2ccccc2n1 ZINC000236605376 601658935 /nfs/dbraw/zinc/65/89/35/601658935.db2.gz XRSLRBFUYGEEHE-UHFFFAOYSA-N -1 0 328.412 3.733 20 0 EHADRM Cc1cc(C(=O)CCC(=O)Nc2ccccc2CC(=O)[O-])c(C)s1 ZINC000237666670 601663606 /nfs/dbraw/zinc/66/36/06/601663606.db2.gz FBJYCRJJGCIVNH-UHFFFAOYSA-N -1 0 345.420 3.594 20 0 EHADRM CCc1[nH]c(C(=O)N(CC2CC2)c2ccccc2)c(C)c1C(=O)[O-] ZINC000830183081 601665743 /nfs/dbraw/zinc/66/57/43/601665743.db2.gz AULIXYWJKBBZEQ-UHFFFAOYSA-N -1 0 326.396 3.641 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)CCC(=O)c2ccc(F)c(F)c2)cc1 ZINC000833285181 601667976 /nfs/dbraw/zinc/66/79/76/601667976.db2.gz BDLLGOHTANXWMR-UHFFFAOYSA-N -1 0 348.305 3.656 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)CCCc2ccc(F)c(F)c2)c1 ZINC000832178697 601676826 /nfs/dbraw/zinc/67/68/26/601676826.db2.gz JHTJOEAVZFPGSW-UHFFFAOYSA-N -1 0 349.333 3.633 20 0 EHADRM O=C([O-])CCN(C(=O)[C@@H]1C[C@H]1Cc1ccccc1)c1cccc(F)c1 ZINC000833231931 601681696 /nfs/dbraw/zinc/68/16/96/601681696.db2.gz GSEGQIJSTWAKSL-CRAIPNDOSA-N -1 0 341.382 3.512 20 0 EHADRM CC[C@@H](C(=O)OC/C=C(/C)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000828604311 601682272 /nfs/dbraw/zinc/68/22/72/601682272.db2.gz ZWBITZKEPVEREG-PGJNLMOESA-N -1 0 330.302 3.773 20 0 EHADRM CC(C)(NC(=O)[O-])C(=O)Nc1ccc2[nH]c(C3CCCCC3)nc2c1 ZINC000826627188 601683387 /nfs/dbraw/zinc/68/33/87/601683387.db2.gz HRQYNBGCDXSGKA-UHFFFAOYSA-N -1 0 344.415 3.595 20 0 EHADRM Cc1cccc2sc(C(=O)N3C[C@H](C)[C@H](C(=O)[O-])C3)c(Cl)c21 ZINC000832973424 601709131 /nfs/dbraw/zinc/70/91/31/601709131.db2.gz BIDYVDMILUGUCP-VHSXEESVSA-N -1 0 337.828 3.656 20 0 EHADRM CC(C)(CNC(=O)c1ccc(Oc2ccccc2Cl)cc1)C(=O)[O-] ZINC000826602088 601711747 /nfs/dbraw/zinc/71/17/47/601711747.db2.gz MLCXXALFEPHSAZ-UHFFFAOYSA-N -1 0 347.798 3.973 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)[C@@H]1C ZINC000828276527 601718324 /nfs/dbraw/zinc/71/83/24/601718324.db2.gz CMANKDYRDWXBJA-CHWSQXEVSA-N -1 0 336.457 3.657 20 0 EHADRM COc1ccccc1C1(C(=O)OCc2cc(C(=O)[O-])sc2C)CC1 ZINC000832603139 601725775 /nfs/dbraw/zinc/72/57/75/601725775.db2.gz ZAULATVSARFDAF-UHFFFAOYSA-N -1 0 346.404 3.538 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2ccc(Cl)nc2Cl)cc1F ZINC000833316221 601726439 /nfs/dbraw/zinc/72/64/39/601726439.db2.gz VEMXITPZKKKDRO-UHFFFAOYSA-N -1 0 344.125 3.583 20 0 EHADRM O=C([O-])c1ccc(COC(=O)C[C@@H]2CCc3ccccc32)cc1F ZINC000833097332 601730181 /nfs/dbraw/zinc/73/01/81/601730181.db2.gz LGIDVRQFLFETGA-AWEZNQCLSA-N -1 0 328.339 3.687 20 0 EHADRM Cc1ccc(CCC(=O)N[C@H](C(=O)[O-])c2ccccc2F)cc1Cl ZINC000678987714 601738776 /nfs/dbraw/zinc/73/87/76/601738776.db2.gz SJYZKFPAELWUBB-KRWDZBQOSA-N -1 0 349.789 3.662 20 0 EHADRM O=C([O-])CCCc1csc(NC(=O)CC/C=C\c2ccccc2)n1 ZINC000833228815 601743243 /nfs/dbraw/zinc/74/32/43/601743243.db2.gz AGGBHRJQNHPDBF-WTKPLQERSA-N -1 0 344.436 3.983 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cc(F)cc(Cl)c2)cc1F ZINC000833353254 601743711 /nfs/dbraw/zinc/74/37/11/601743711.db2.gz PHLUCFPZJYWMRO-UHFFFAOYSA-N -1 0 326.682 3.673 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2nc(CCCC(=O)[O-])cs2)cc1 ZINC000321191517 601745405 /nfs/dbraw/zinc/74/54/05/601745405.db2.gz SOFPPJCMMLJMLT-UHFFFAOYSA-N -1 0 332.425 3.926 20 0 EHADRM Cc1cc(CCCC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)c(C)s1 ZINC000678987692 601745854 /nfs/dbraw/zinc/74/58/54/601745854.db2.gz SHMZXXREKSWZED-QGZVFWFLSA-N -1 0 349.427 3.769 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2sccc2s1)c1ccccc1F ZINC000833124549 601747494 /nfs/dbraw/zinc/74/74/94/601747494.db2.gz ITEWXBYRXFBREX-CYBMUJFWSA-N -1 0 335.381 3.658 20 0 EHADRM CC[C@@H]1CC[C@@H](C(=O)O[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)O1 ZINC000829081094 601747708 /nfs/dbraw/zinc/74/77/08/601747708.db2.gz KBVXMASLJGLRRG-ICCXJUOJSA-N -1 0 347.194 3.620 20 0 EHADRM CC[C@@H]1CC[C@H](C(=O)O[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)O1 ZINC000829081098 601747729 /nfs/dbraw/zinc/74/77/29/601747729.db2.gz KBVXMASLJGLRRG-WQAKAFBOSA-N -1 0 347.194 3.620 20 0 EHADRM O=C([O-])CCCc1csc(NC(=O)c2cccc(C(F)F)c2)n1 ZINC000833229932 601748154 /nfs/dbraw/zinc/74/81/54/601748154.db2.gz SOCCWNXMYLBLAA-UHFFFAOYSA-N -1 0 340.351 3.740 20 0 EHADRM CC[C@H](NC(=O)c1ccc(-c2nc3ccccc3s2)s1)C(=O)[O-] ZINC000236915324 601748647 /nfs/dbraw/zinc/74/86/47/601748647.db2.gz FVDNMXHLTVCBJI-VIFPVBQESA-N -1 0 346.433 3.618 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc2oc3ccccc3c2c1)C(=O)[O-] ZINC000826591278 601750144 /nfs/dbraw/zinc/75/01/44/601750144.db2.gz YQWGJHUOCOJWGS-UHFFFAOYSA-N -1 0 326.352 3.818 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000833289028 601756316 /nfs/dbraw/zinc/75/63/16/601756316.db2.gz ZNJIIDAGSOCPCE-GHMZBOCLSA-N -1 0 344.333 3.875 20 0 EHADRM Cc1ccc(Nc2ccccc2C(=O)N2C[C@H](C)[C@@H](C(=O)[O-])C2)cc1 ZINC000832950322 601757989 /nfs/dbraw/zinc/75/79/89/601757989.db2.gz JDZMKJFPEGFFEU-YOEHRIQHSA-N -1 0 338.407 3.531 20 0 EHADRM Cc1ccc(Nc2ccccc2C(=O)N2C[C@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000832950320 601758015 /nfs/dbraw/zinc/75/80/15/601758015.db2.gz JDZMKJFPEGFFEU-WMLDXEAASA-N -1 0 338.407 3.531 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Nc1ccccc1CCC(F)(F)F)C1CC1 ZINC000833198429 601759766 /nfs/dbraw/zinc/75/97/66/601759766.db2.gz IKKQMOQFUOQPBQ-ZDUSSCGKSA-N -1 0 344.333 3.556 20 0 EHADRM Cc1csc(CS[C@@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)n1 ZINC000832989557 601765959 /nfs/dbraw/zinc/76/59/59/601765959.db2.gz MHBVPLQFDUOSOM-JTQLQIEISA-N -1 0 338.454 3.599 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)c1cc(F)cc(Cl)c1 ZINC000825942255 601769692 /nfs/dbraw/zinc/76/96/92/601769692.db2.gz OHOVZNPLQBROEO-UHFFFAOYSA-N -1 0 336.702 3.599 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccccc2Oc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000327560588 601772158 /nfs/dbraw/zinc/77/21/58/601772158.db2.gz DYEBCUYOBMPEDR-HIFRSBDPSA-N -1 0 340.379 3.663 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000833320467 601778632 /nfs/dbraw/zinc/77/86/32/601778632.db2.gz XJXHCHNVLOHDMT-CQSZACIVSA-N -1 0 328.343 3.545 20 0 EHADRM O=C([O-])CCC1CCN(C(=S)Nc2ccc(F)c(Cl)c2)CC1 ZINC000833224393 601794530 /nfs/dbraw/zinc/79/45/30/601794530.db2.gz DATHOTPVCJVIQQ-UHFFFAOYSA-N -1 0 344.839 3.753 20 0 EHADRM COc1cccc([C@H](C)CC(=O)Nc2cc(C)c(C(=O)[O-])s2)c1 ZINC000832528441 601800279 /nfs/dbraw/zinc/80/02/79/601800279.db2.gz LYGQQAPOHDJJMT-SNVBAGLBSA-N -1 0 333.409 3.896 20 0 EHADRM C[C@@H](CN(C(=O)[C@@H](C)c1ccc2ccccc2c1)C1CC1)C(=O)[O-] ZINC000827432463 601802616 /nfs/dbraw/zinc/80/26/16/601802616.db2.gz MXJUNOILDLALQI-KBPBESRZSA-N -1 0 325.408 3.655 20 0 EHADRM C[C@@H]1CN(C(=O)N[C@H](CC(C)(C)C)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000828347157 601803506 /nfs/dbraw/zinc/80/35/06/601803506.db2.gz CQBNOPVGICIPII-VNQPRFMTSA-N -1 0 332.444 3.526 20 0 EHADRM CCN(C(=O)C[C@@H](C)c1cccc(OC)c1)c1ccccc1C(=O)[O-] ZINC000829590939 601803988 /nfs/dbraw/zinc/80/39/88/601803988.db2.gz KCZZOUXTCQQQOA-CQSZACIVSA-N -1 0 341.407 3.940 20 0 EHADRM COc1ccc(CCC(=O)Nc2scc(C3CC3)c2C(=O)[O-])cc1 ZINC000832292668 601809135 /nfs/dbraw/zinc/80/91/35/601809135.db2.gz LVNUVVXPRVGURL-UHFFFAOYSA-N -1 0 345.420 3.904 20 0 EHADRM O=C([O-])c1c(C2CC2)csc1NC(=O)Cc1cc(F)ccc1F ZINC000833116708 601809470 /nfs/dbraw/zinc/80/94/70/601809470.db2.gz AOIAIQZMQKDXLQ-UHFFFAOYSA-N -1 0 337.347 3.783 20 0 EHADRM C[C@H](C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccc2ccccc2c1 ZINC000825982850 601812263 /nfs/dbraw/zinc/81/22/63/601812263.db2.gz MQYSKJHHNQBSHQ-KSSFIOAISA-N -1 0 337.419 3.657 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H](C2CCCCC2)C(F)(F)F)s1 ZINC000668301322 601812812 /nfs/dbraw/zinc/81/28/12/601812812.db2.gz IIUDHOXGQIXNIU-LLVKDONJSA-N -1 0 335.347 3.687 20 0 EHADRM O=C([O-])c1ccc(CSCCCOCC(F)(F)F)cc1F ZINC000833317035 601813686 /nfs/dbraw/zinc/81/36/86/601813686.db2.gz NHJLXBWUEHIPJX-UHFFFAOYSA-N -1 0 326.311 3.726 20 0 EHADRM C/C(=C/C(=O)N1CCC(CCC(=O)[O-])CC1)c1ccccc1Cl ZINC000777373463 601815015 /nfs/dbraw/zinc/81/50/15/601815015.db2.gz XFNJJXUPQXPRMH-SEYXRHQNSA-N -1 0 335.831 3.847 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1 ZINC000327663594 601818169 /nfs/dbraw/zinc/81/81/69/601818169.db2.gz ZGWHRDBSHFFVHB-UHFFFAOYSA-N -1 0 342.439 3.594 20 0 EHADRM CC(C)Cc1ccc(CC(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000537481649 601820655 /nfs/dbraw/zinc/82/06/55/601820655.db2.gz KKYMYLVXYOAVFZ-UHFFFAOYSA-N -1 0 331.456 3.531 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000392001210 601821059 /nfs/dbraw/zinc/82/10/59/601821059.db2.gz MQQYOPMDSUREKR-UHFFFAOYSA-N -1 0 333.472 3.696 20 0 EHADRM CC(C)Sc1ccccc1C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000537480524 601821504 /nfs/dbraw/zinc/82/15/04/601821504.db2.gz BNOULHXLMPLGOO-UHFFFAOYSA-N -1 0 335.469 3.904 20 0 EHADRM Cc1ccc([C@@H](NC(=O)N2CCC(CCC(=O)[O-])CC2)C2CC2)cc1 ZINC000659392724 601823860 /nfs/dbraw/zinc/82/38/60/601823860.db2.gz QMGDSDOXMRJMRF-LJQANCHMSA-N -1 0 344.455 3.733 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC000659393103 601824103 /nfs/dbraw/zinc/82/41/03/601824103.db2.gz QKLGJAZTWXNKBT-IXDOHACOSA-N -1 0 336.476 3.632 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)N[C@H](CC2CC2)c2ccccc2)CC1 ZINC000833224095 601828338 /nfs/dbraw/zinc/82/83/38/601828338.db2.gz MXUKLVHFUJWUAC-GOSISDBHSA-N -1 0 344.455 3.814 20 0 EHADRM CC(=O)c1cccc(NC(=O)CSCc2ccc(C(=O)[O-])s2)c1 ZINC000825961286 601846255 /nfs/dbraw/zinc/84/62/55/601846255.db2.gz VUNSVTHLZYSORQ-UHFFFAOYSA-N -1 0 349.433 3.521 20 0 EHADRM C[C@@H](SCc1ccc(C(=O)[O-])s1)C(=O)N1CCc2ccccc21 ZINC000827908508 601846769 /nfs/dbraw/zinc/84/67/69/601846769.db2.gz JQLKBRSOFZRSIP-LLVKDONJSA-N -1 0 347.461 3.657 20 0 EHADRM O=C([O-])c1ccc(CSCC(=O)N2CCCc3ccccc32)s1 ZINC000833317130 601847057 /nfs/dbraw/zinc/84/70/57/601847057.db2.gz QBIBEUGJIWWDAD-UHFFFAOYSA-N -1 0 347.461 3.659 20 0 EHADRM O=C([O-])c1ccc(CSCCC(=O)N2CCc3ccccc32)s1 ZINC000833317361 601847144 /nfs/dbraw/zinc/84/71/44/601847144.db2.gz RKUQXIJXYXFTQZ-UHFFFAOYSA-N -1 0 347.461 3.659 20 0 EHADRM C[C@@H](NC(=O)NCc1cccc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC000320810956 601848260 /nfs/dbraw/zinc/84/82/60/601848260.db2.gz LMXLLHBONGRPIL-LLVKDONJSA-N -1 0 332.787 3.599 20 0 EHADRM C[C@@H](Cc1ccccc1)C(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC000827592908 601871609 /nfs/dbraw/zinc/87/16/09/601871609.db2.gz WJMBRZVJKJZQPB-ZDUSSCGKSA-N -1 0 330.405 3.648 20 0 EHADRM C[C@@H]1CN(Cc2ccc(C(=O)[O-])c(F)c2)C[C@@H](c2ccsc2)O1 ZINC000828457331 601884751 /nfs/dbraw/zinc/88/47/51/601884751.db2.gz SNETVVHBSBCISO-BZNIZROVSA-N -1 0 335.400 3.547 20 0 EHADRM O=Cc1cc(Br)ccc1OCc1ccsc1C(=O)[O-] ZINC000833357505 601890474 /nfs/dbraw/zinc/89/04/74/601890474.db2.gz FMFMMDZLWSKDNB-UHFFFAOYSA-N -1 0 341.182 3.600 20 0 EHADRM COc1ccccc1-c1nnc(SCc2ccc(C(=O)[O-])s2)o1 ZINC000832583025 601891865 /nfs/dbraw/zinc/89/18/65/601891865.db2.gz KNFJOFIDPXFSJD-UHFFFAOYSA-N -1 0 348.405 3.797 20 0 EHADRM CCCOc1ccccc1NCC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000829541234 601898021 /nfs/dbraw/zinc/89/80/21/601898021.db2.gz ILAHSDWZIYRJCZ-UHFFFAOYSA-N -1 0 342.395 3.533 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)c1csc(-c2ccoc2)n1 ZINC000262147044 601916561 /nfs/dbraw/zinc/91/65/61/601916561.db2.gz SUPFFTFUILUWRO-OLZOCXBDSA-N -1 0 348.424 3.557 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)NCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000237028453 601920348 /nfs/dbraw/zinc/92/03/48/601920348.db2.gz UOTPMDQYYXHEPK-KBXCAEBGSA-N -1 0 325.408 3.831 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2ccc(SC(F)F)cc2)c1 ZINC000767098588 601926833 /nfs/dbraw/zinc/92/68/33/601926833.db2.gz MQXVMRCVWTVZIF-UHFFFAOYSA-N -1 0 337.347 3.630 20 0 EHADRM CCCSCC(=O)O[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000829550221 601932515 /nfs/dbraw/zinc/93/25/15/601932515.db2.gz ONSCOKDGDASIAQ-GFCCVEGCSA-N -1 0 337.224 3.806 20 0 EHADRM CCCSCC(=O)O[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000829550223 601932734 /nfs/dbraw/zinc/93/27/34/601932734.db2.gz ONSCOKDGDASIAQ-LBPRGKRZSA-N -1 0 337.224 3.806 20 0 EHADRM O=C([O-])[C@@H](OC(=O)CC[C@H]1CCCO1)c1cc(Cl)cc(Cl)c1 ZINC000833096318 601933060 /nfs/dbraw/zinc/93/30/60/601933060.db2.gz GRJUNCHIQBKQIL-OCCSQVGLSA-N -1 0 347.194 3.622 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)c2cc(C)c(F)cc2Cl)C(=O)[O-])cc1 ZINC000537367198 601933725 /nfs/dbraw/zinc/93/37/25/601933725.db2.gz CHOWNXCGLFGHJV-CQSZACIVSA-N -1 0 349.789 3.694 20 0 EHADRM CCC[C@H](NC(=O)[O-])C(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000739320748 601945355 /nfs/dbraw/zinc/94/53/55/601945355.db2.gz HMJAFDITVREIGJ-INIZCTEOSA-N -1 0 333.432 3.806 20 0 EHADRM C[C@H]1CCCN(C(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000828265566 601951241 /nfs/dbraw/zinc/95/12/41/601951241.db2.gz CMAGVEVYPGNXLP-VIFPVBQESA-N -1 0 330.306 3.667 20 0 EHADRM CC(C)Oc1ccc(NC(=S)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000737644044 601953305 /nfs/dbraw/zinc/95/33/05/601953305.db2.gz MLEAFWLKAKUVDG-UHFFFAOYSA-N -1 0 344.436 3.910 20 0 EHADRM O=C([O-])Cc1cccc(NCc2nnc(-c3cccc(Cl)c3)o2)c1 ZINC000819585966 601966674 /nfs/dbraw/zinc/96/66/74/601966674.db2.gz PGIXQGYVLVGRCX-UHFFFAOYSA-N -1 0 343.770 3.629 20 0 EHADRM CC[C@@H](C)[C@@H](C)NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000828707276 601988933 /nfs/dbraw/zinc/98/89/33/601988933.db2.gz FIFGITTXSJQHIK-RKDXNWHRSA-N -1 0 332.322 3.960 20 0 EHADRM COc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)ccc1F ZINC000431443599 601991805 /nfs/dbraw/zinc/99/18/05/601991805.db2.gz FOIYUPYUHQPEOC-UHFFFAOYSA-N -1 0 347.342 3.572 20 0 EHADRM C[C@@H](COC(=O)c1ccc(NC(=O)[O-])cc1)COc1ccccc1 ZINC000827517306 601995119 /nfs/dbraw/zinc/99/51/19/601995119.db2.gz JYSWGVHWHHQTDC-CYBMUJFWSA-N -1 0 329.352 3.648 20 0 EHADRM CCN(Cc1ccncc1)C(=O)c1cc2ccccc2cc1NC(=O)[O-] ZINC000739446576 602002914 /nfs/dbraw/zinc/00/29/14/602002914.db2.gz ZVGHNPINQVRKQC-UHFFFAOYSA-N -1 0 349.390 3.987 20 0 EHADRM O=C([O-])c1sc(N2CCC[C@@H](Nc3ccccc3)C2)nc1Cl ZINC000833345793 602007156 /nfs/dbraw/zinc/00/71/56/602007156.db2.gz DMHHOZLWOYLMJB-LLVKDONJSA-N -1 0 337.832 3.576 20 0 EHADRM COc1cccc2c1CC[C@@H]2NC(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000832572641 602011645 /nfs/dbraw/zinc/01/16/45/602011645.db2.gz HFJQYHSFTLBQTQ-INIZCTEOSA-N -1 0 340.379 3.511 20 0 EHADRM C/C(=C/C(=O)N(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1)C(C)(C)C ZINC000825716710 602011649 /nfs/dbraw/zinc/01/16/49/602011649.db2.gz NKDXJKMOFLIWAL-AJHXJQRKSA-N -1 0 343.345 3.680 20 0 EHADRM Cc1ccc2c(CCC(=O)OCc3ccc(C(=O)[O-])s3)c[nH]c2c1 ZINC000832959588 602012900 /nfs/dbraw/zinc/01/29/00/602012900.db2.gz HWOVHPCFSBINGI-UHFFFAOYSA-N -1 0 343.404 3.912 20 0 EHADRM CN(C(=O)CCC1CCCC1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830472681 602015988 /nfs/dbraw/zinc/01/59/88/602015988.db2.gz YCSZAYFPRIQATD-INIZCTEOSA-N -1 0 343.345 3.658 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)COC/C=C/c2ccccc2)c1 ZINC000833112449 602016145 /nfs/dbraw/zinc/01/61/45/602016145.db2.gz MFJPUYSASMEYAE-QPJJXVBHSA-N -1 0 345.782 3.707 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)Nc2cccc(CCC(F)(F)F)c2)C1 ZINC000263134114 602020404 /nfs/dbraw/zinc/02/04/04/602020404.db2.gz YRCHGEHMMUHAJG-OAHLLOKOSA-N -1 0 344.333 3.510 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@H]1SCCc2ccccc21 ZINC000238103055 602021076 /nfs/dbraw/zinc/02/10/76/602021076.db2.gz PCVHTCWEFOMVBV-KRWDZBQOSA-N -1 0 335.469 3.558 20 0 EHADRM C[C@H](NC(=O)[O-])[C@H]1CCCCN1C(=O)c1cccc(Cl)c1Cl ZINC000739011969 602020994 /nfs/dbraw/zinc/02/09/94/602020994.db2.gz QZUHRGXPYNQILF-JOYOIKCWSA-N -1 0 345.226 3.644 20 0 EHADRM Cc1cc(N(C)C)ccc1NC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000832888057 602030406 /nfs/dbraw/zinc/03/04/06/602030406.db2.gz CSWQGGIIBOUYNU-RDJZCZTQSA-N -1 0 347.459 3.606 20 0 EHADRM CCCOc1cc(F)ccc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000236923005 602040157 /nfs/dbraw/zinc/04/01/57/602040157.db2.gz KUEANKXUWWPESX-UHFFFAOYSA-N -1 0 345.370 3.884 20 0 EHADRM CCCCC[C@H](C)NC(=O)N1CCC[C@H]([C@@H]2CCCN2C(=O)[O-])C1 ZINC000739330998 602055654 /nfs/dbraw/zinc/05/56/54/602055654.db2.gz OTOPBNYFIXIYML-JYJNAYRXSA-N -1 0 339.480 3.519 20 0 EHADRM CC(C)[C@@H](NC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000262917958 602057080 /nfs/dbraw/zinc/05/70/80/602057080.db2.gz FGIVSIQUPSMLAM-PBHICJAKSA-N -1 0 338.835 3.543 20 0 EHADRM CC(C)c1ccc(N(C)C(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000827124192 602059845 /nfs/dbraw/zinc/05/98/45/602059845.db2.gz KXEMHSSPUQFOIZ-UHFFFAOYSA-N -1 0 327.380 3.550 20 0 EHADRM O=C([O-])CCCCNC(=O)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000666558420 602064505 /nfs/dbraw/zinc/06/45/05/602064505.db2.gz GHBOQWBCGJJXIM-UHFFFAOYSA-N -1 0 345.226 3.537 20 0 EHADRM CCc1nc2c(s1)[C@H](N(C)C(=O)c1ccc(C(=O)[O-])cc1)CCC2 ZINC000191630480 602065412 /nfs/dbraw/zinc/06/54/12/602065412.db2.gz ORHPXCROEYWHIK-CQSZACIVSA-N -1 0 344.436 3.553 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)CCCc2ccc(Cl)cc2)c1 ZINC000676210857 602068322 /nfs/dbraw/zinc/06/83/22/602068322.db2.gz CZLKQHUMNPKXHX-UHFFFAOYSA-N -1 0 331.799 3.929 20 0 EHADRM Cc1nc2cc(F)ccc2cc1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000345769095 602071287 /nfs/dbraw/zinc/07/12/87/602071287.db2.gz FXIRRDTUWZIPIY-UHFFFAOYSA-N -1 0 338.338 3.562 20 0 EHADRM Cc1cc(OCC(=O)Nc2cccc(CC(=O)[O-])c2)ccc1C(C)C ZINC000676210710 602071540 /nfs/dbraw/zinc/07/15/40/602071540.db2.gz QWVWNGKVQIKBGX-UHFFFAOYSA-N -1 0 341.407 3.763 20 0 EHADRM CC(C)c1cc(C(=O)Nc2cccc(CC(=O)[O-])c2)nn1C(C)(C)C ZINC000345897078 602072559 /nfs/dbraw/zinc/07/25/59/602072559.db2.gz XGTZACIZQWNLBA-UHFFFAOYSA-N -1 0 343.427 3.641 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Nc2ccc3ncsc3c2)c1 ZINC000391613365 602091258 /nfs/dbraw/zinc/09/12/58/602091258.db2.gz DVUFPEHIUYSVTK-UHFFFAOYSA-N -1 0 327.365 3.567 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Nc2cccc(OC(F)F)c2)c1 ZINC000738622980 602091750 /nfs/dbraw/zinc/09/17/50/602091750.db2.gz XKVKWNZBYHVPEB-UHFFFAOYSA-N -1 0 336.294 3.559 20 0 EHADRM C[C@@H](Oc1ccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)cc1)C(=O)[O-] ZINC000794689965 602094532 /nfs/dbraw/zinc/09/45/32/602094532.db2.gz VMWFMVKXMNCBRN-XBLUXWHVSA-N -1 0 343.766 3.685 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)NCCCCCCCC(=O)[O-] ZINC000828151359 602094684 /nfs/dbraw/zinc/09/46/84/602094684.db2.gz WBYUQYGMSUTBAU-WMZOPIPTSA-N -1 0 346.471 3.999 20 0 EHADRM CSCCc1ccc(NC(=O)[C@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000740014998 602100577 /nfs/dbraw/zinc/10/05/77/602100577.db2.gz RYIZWLLTUBXRDF-MRXNPFEDSA-N -1 0 344.436 3.540 20 0 EHADRM Cn1nc(C2CCCCC2)cc1NC(=O)c1ccccc1NC(=O)[O-] ZINC000833059898 602103401 /nfs/dbraw/zinc/10/34/01/602103401.db2.gz DHERGBQJXMKQNI-UHFFFAOYSA-N -1 0 342.399 3.810 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1cc(C(F)(F)F)ccc1F ZINC000321797109 602107675 /nfs/dbraw/zinc/10/76/75/602107675.db2.gz XJTWZFJNKGABSV-UHFFFAOYSA-N -1 0 335.297 3.609 20 0 EHADRM Cc1cccc(C(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)c1F ZINC000832963529 602108958 /nfs/dbraw/zinc/10/89/58/602108958.db2.gz WEWSZTONGKYYCM-UHFFFAOYSA-N -1 0 345.355 3.536 20 0 EHADRM CSc1cccc(N(C)C(=O)Cc2ccc(NC(=O)[O-])cc2)c1 ZINC000740023265 602114818 /nfs/dbraw/zinc/11/48/18/602114818.db2.gz NQPXJPISGGJEFA-UHFFFAOYSA-N -1 0 330.409 3.704 20 0 EHADRM O=C([O-])COc1ccc(NCc2cn3ccccc3n2)c2ccccc12 ZINC000833259138 602116156 /nfs/dbraw/zinc/11/61/56/602116156.db2.gz JHRFWPKTDNTHDN-UHFFFAOYSA-N -1 0 347.374 3.563 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000827311752 602121790 /nfs/dbraw/zinc/12/17/90/602121790.db2.gz WYXCVMQOXKMRGC-SNVBAGLBSA-N -1 0 334.759 3.577 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc2sccc2c1)c1ccc(F)cc1 ZINC000345790360 602122462 /nfs/dbraw/zinc/12/24/62/602122462.db2.gz YNUYAWVEBRBHHO-HNNXBMFYSA-N -1 0 343.379 3.986 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000829009633 602122813 /nfs/dbraw/zinc/12/28/13/602122813.db2.gz JCERHGVAYQUVBG-INIZCTEOSA-N -1 0 334.416 3.867 20 0 EHADRM O=C([O-])c1cc(F)ccc1COc1c(Cl)cccc1[N+](=O)[O-] ZINC000318235332 602125300 /nfs/dbraw/zinc/12/53/00/602125300.db2.gz YJMWCFHCPCEXIJ-UHFFFAOYSA-N -1 0 325.679 3.665 20 0 EHADRM Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)[C@H](C)CC(=O)[O-] ZINC000832976234 602142997 /nfs/dbraw/zinc/14/29/97/602142997.db2.gz JYUIUWYQDZGXDP-CYBMUJFWSA-N -1 0 343.427 3.528 20 0 EHADRM O=C([O-])c1coc(Cn2ccc(-c3ccc(Br)cc3)n2)c1 ZINC000833341071 602161347 /nfs/dbraw/zinc/16/13/47/602161347.db2.gz PYUZAUOKGQLLAP-UHFFFAOYSA-N -1 0 347.168 3.652 20 0 EHADRM CSc1cc(C(=O)NC2(CC(=O)[O-])CCC2)c(Cl)cc1Cl ZINC000262097772 602164326 /nfs/dbraw/zinc/16/43/26/602164326.db2.gz HFALFZQQSIFUNL-UHFFFAOYSA-N -1 0 348.251 3.843 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)CCNc2ccccc2C)c1 ZINC000739917267 602171666 /nfs/dbraw/zinc/17/16/66/602171666.db2.gz GEWLVDSAPHYQBJ-UHFFFAOYSA-N -1 0 343.383 3.534 20 0 EHADRM O=C([O-])c1csc(NC(=O)Cc2csc(-c3ccccc3)n2)c1 ZINC000568711597 602178510 /nfs/dbraw/zinc/17/85/10/602178510.db2.gz FQAWEVHQPFYNGF-UHFFFAOYSA-N -1 0 344.417 3.751 20 0 EHADRM COc1ccccc1[C@H]1CCCN1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000738130492 602180676 /nfs/dbraw/zinc/18/06/76/602180676.db2.gz RQQIPJTWKJMFQH-MRXNPFEDSA-N -1 0 340.379 3.762 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2cc(F)c(Cl)nc2Cl)c1 ZINC000833342598 602182027 /nfs/dbraw/zinc/18/20/27/602182027.db2.gz NHHNUNJKOKFBBH-UHFFFAOYSA-N -1 0 335.143 3.540 20 0 EHADRM COc1ccc(C(C)(C)c2nc(-c3cccc(C(=O)[O-])c3)no2)cc1 ZINC000832216921 602183412 /nfs/dbraw/zinc/18/34/12/602183412.db2.gz WZWOACKQCIIOPT-UHFFFAOYSA-N -1 0 338.363 3.769 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2cc(F)cc(Br)c2)c1 ZINC000191380523 602188403 /nfs/dbraw/zinc/18/84/03/602188403.db2.gz KDWXEADVRPJMKD-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM Cc1[nH]c(C(=O)Nc2cccc(C(F)(F)F)c2C)c(C)c1C(=O)[O-] ZINC000832846225 602198439 /nfs/dbraw/zinc/19/84/39/602198439.db2.gz JSBBYOJCCBQMJH-UHFFFAOYSA-N -1 0 340.301 3.909 20 0 EHADRM Cc1c(NC(=O)[C@H](CC(C)C)NC(=O)[O-])cccc1C(F)(F)F ZINC000832857349 602198837 /nfs/dbraw/zinc/19/88/37/602198837.db2.gz JYXVLIVCHAALAI-LBPRGKRZSA-N -1 0 332.322 3.635 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N1CCc2c(Cl)cc(Cl)cc2[C@H]1C ZINC000827263724 602203556 /nfs/dbraw/zinc/20/35/56/602203556.db2.gz SVYOURWNULHTEV-RKDXNWHRSA-N -1 0 330.211 3.550 20 0 EHADRM Cc1ccccc1-c1nc(CN2C[C@H](CC(=O)[O-])c3ccccc32)no1 ZINC000832974171 602205132 /nfs/dbraw/zinc/20/51/32/602205132.db2.gz FOWBDYDMNADRFZ-AWEZNQCLSA-N -1 0 349.390 3.624 20 0 EHADRM CCC[C@@H](C)NC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000829215973 602221277 /nfs/dbraw/zinc/22/12/77/602221277.db2.gz GQLUOPKBSHAMOX-GFCCVEGCSA-N -1 0 330.384 3.613 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])c1ccc(F)cc1 ZINC000738892050 602237163 /nfs/dbraw/zinc/23/71/63/602237163.db2.gz RUBXABSAFGCROD-LBPRGKRZSA-N -1 0 342.370 3.999 20 0 EHADRM CC(C)(C)c1ncc(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])s1 ZINC000738728490 602237269 /nfs/dbraw/zinc/23/72/69/602237269.db2.gz QEKIVKYYPVWJAQ-UHFFFAOYSA-N -1 0 345.424 3.733 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)C3(c4ccccc4)CCC3)ccc21 ZINC000740529973 602242223 /nfs/dbraw/zinc/24/22/23/602242223.db2.gz RFFMNFSEWGSVAA-UHFFFAOYSA-N -1 0 336.391 3.788 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c2ccccc12 ZINC000262444160 602258418 /nfs/dbraw/zinc/25/84/18/602258418.db2.gz GLSCCSVYELSPKR-QWHZDKJVSA-N -1 0 339.391 3.678 20 0 EHADRM CC1(C)C[C@H](NC(=O)NCCCCCCC(=O)[O-])c2ccccc2O1 ZINC000828056027 602277601 /nfs/dbraw/zinc/27/76/01/602277601.db2.gz NAVJDQARMURMNK-HNNXBMFYSA-N -1 0 348.443 3.623 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)NCc3ccc(Cl)cc3)ccc21 ZINC000740449305 602280771 /nfs/dbraw/zinc/28/07/71/602280771.db2.gz YHJQLZNLZYYAMW-UHFFFAOYSA-N -1 0 345.786 3.702 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)Nc1ccccc1NC(=O)[O-] ZINC000739962203 602300594 /nfs/dbraw/zinc/30/05/94/602300594.db2.gz VAMBZOYWQCJZPS-LBPRGKRZSA-N -1 0 328.368 3.917 20 0 EHADRM CCOc1cc(Cl)ccc1NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000830049608 602325383 /nfs/dbraw/zinc/32/53/83/602325383.db2.gz JLZBLCGSRUFPDW-UHFFFAOYSA-N -1 0 336.775 3.634 20 0 EHADRM C[C@@H](NC(=O)[C@@H](NC(=O)[O-])c1ccccc1)c1ccccc1Cl ZINC000739019156 602341028 /nfs/dbraw/zinc/34/10/28/602341028.db2.gz WYLUKBOFJAUJRS-ABAIWWIYSA-N -1 0 332.787 3.526 20 0 EHADRM C[C@@H](NC(=O)C1CCC(NC(=O)[O-])CC1)c1cccc2ccccc21 ZINC000738954362 602342914 /nfs/dbraw/zinc/34/29/14/602342914.db2.gz LTGBLUOIADBCGD-IUDNXUCKSA-N -1 0 340.423 3.843 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1C ZINC000767201926 602355262 /nfs/dbraw/zinc/35/52/62/602355262.db2.gz VWWBYBOZVBILKD-UHFFFAOYSA-N -1 0 343.354 3.742 20 0 EHADRM COc1cccc2cc(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)oc21 ZINC000767206704 602356372 /nfs/dbraw/zinc/35/63/72/602356372.db2.gz DDEWDNPVDLGYDJ-UHFFFAOYSA-N -1 0 329.283 3.531 20 0 EHADRM CSc1ccc(O[C@@H](C)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000767206159 602356425 /nfs/dbraw/zinc/35/64/25/602356425.db2.gz OLKDBPMWNGWFCC-JTQLQIEISA-N -1 0 349.383 3.652 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000767201763 602357465 /nfs/dbraw/zinc/35/74/65/602357465.db2.gz UIJKVCDALGESCW-LLVKDONJSA-N -1 0 331.343 3.665 20 0 EHADRM CC(C)[C@@H](c1ccccc1)N(C)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000826721885 602359134 /nfs/dbraw/zinc/35/91/34/602359134.db2.gz CLSHAHXYQHFYOI-INIZCTEOSA-N -1 0 329.400 3.584 20 0 EHADRM CC(C)c1ccc([C@H](CNC(=O)CCC(C)(F)F)NC(=O)[O-])cc1 ZINC000738880228 602359757 /nfs/dbraw/zinc/35/97/57/602359757.db2.gz ZVSXRCXANSWESA-AWEZNQCLSA-N -1 0 342.386 3.670 20 0 EHADRM CC(C)(CC(=O)[O-])NC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F ZINC000776623230 602367871 /nfs/dbraw/zinc/36/78/71/602367871.db2.gz JCIZSEZWNUETEO-XFFZJAGNSA-N -1 0 349.736 3.655 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc(C(=O)[O-])c(F)c1)SC ZINC000318993465 602372518 /nfs/dbraw/zinc/37/25/18/602372518.db2.gz NAPJLAPNURXSHE-UHFFFAOYSA-N -1 0 328.409 3.567 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CC[C@H](c3ccccc3)C2)cc1F ZINC000392437487 602382669 /nfs/dbraw/zinc/38/26/69/602382669.db2.gz ROCKCTJQEPHDFL-ZDUSSCGKSA-N -1 0 328.343 3.545 20 0 EHADRM CC[C@H](Cc1ccccc1)N(CC)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263445691 602385689 /nfs/dbraw/zinc/38/56/89/602385689.db2.gz FWEAOKPWDPGMHR-DAWZGUTISA-N -1 0 346.471 3.683 20 0 EHADRM Cc1ccc(C[C@H](C)N(C)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000832929155 602386207 /nfs/dbraw/zinc/38/62/07/602386207.db2.gz NFVVGGHFLLZPRH-ZDUSSCGKSA-N -1 0 344.386 3.927 20 0 EHADRM C[C@H](CN(C)C(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000827436494 602386830 /nfs/dbraw/zinc/38/68/30/602386830.db2.gz ARBTYDUTJMIPFZ-GFCCVEGCSA-N -1 0 330.359 3.791 20 0 EHADRM Cc1ccc(CC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c(Cl)c1 ZINC000832927839 602391673 /nfs/dbraw/zinc/39/16/73/602391673.db2.gz BZIMEUWXULRSFJ-SCLBCKFNSA-N -1 0 345.826 3.769 20 0 EHADRM Cc1nc(CC(C)C)sc1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000832998043 602393958 /nfs/dbraw/zinc/39/39/58/602393958.db2.gz BMLCWASYAUBBAV-UHFFFAOYSA-N -1 0 336.388 3.740 20 0 EHADRM C[C@@H](C(=O)N(CC(=O)[O-])C1CCCC1)c1ccc2ccccc2c1 ZINC000825971924 602399001 /nfs/dbraw/zinc/39/90/01/602399001.db2.gz IWVLCUKRFPBSTF-CQSZACIVSA-N -1 0 325.408 3.799 20 0 EHADRM Cc1nc(-c2cccs2)ccc1C(=O)N(CC(=O)[O-])C1CCCC1 ZINC000832993389 602400949 /nfs/dbraw/zinc/40/09/49/602400949.db2.gz WFXCAUVUFDGRMJ-UHFFFAOYSA-N -1 0 344.436 3.588 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(CSc2ccc(F)cc2)n1 ZINC000738819008 602409883 /nfs/dbraw/zinc/40/98/83/602409883.db2.gz DYEKFSRZUITRPW-GFCCVEGCSA-N -1 0 339.392 3.856 20 0 EHADRM C[C@@H](Cc1nc(C2(NC(=O)[O-])CCCC2)no1)c1ccccc1F ZINC000738947903 602412797 /nfs/dbraw/zinc/41/27/97/602412797.db2.gz YDSXQVXJYOZHTJ-NSHDSACASA-N -1 0 333.363 3.592 20 0 EHADRM CCN(Cc1ccccc1NC(=O)c1ncoc1C(C)C)C(=O)[O-] ZINC000739446566 602460071 /nfs/dbraw/zinc/46/00/71/602460071.db2.gz ZQNBDWNGTIHDCF-UHFFFAOYSA-N -1 0 331.372 3.550 20 0 EHADRM CC(C)c1ccc(NC(=O)N2CCC([C@@H](C)NC(=O)[O-])CC2)cc1 ZINC000738876682 602464916 /nfs/dbraw/zinc/46/49/16/602464916.db2.gz NWTJAEJEZDBQNQ-CYBMUJFWSA-N -1 0 333.432 3.710 20 0 EHADRM CC(C)(CNC(=O)c1ccc(F)c(NC(=O)[O-])c1)c1ccccc1F ZINC000738752442 602486731 /nfs/dbraw/zinc/48/67/31/602486731.db2.gz KTPDZYVCRVZSCR-UHFFFAOYSA-N -1 0 348.349 3.762 20 0 EHADRM CCn1ncc2ccc(NC(=O)c3ccc(F)c(NC(=O)[O-])c3)cc21 ZINC000739570994 602486799 /nfs/dbraw/zinc/48/67/99/602486799.db2.gz HREMINVLXUPUOK-UHFFFAOYSA-N -1 0 342.330 3.538 20 0 EHADRM Cc1cc(C)cc([C@@H](C)NC(=O)c2ccc(CNC(=O)[O-])cc2)c1 ZINC000740063855 602489238 /nfs/dbraw/zinc/48/92/38/602489238.db2.gz LIMVBZSDMKJYMC-CQSZACIVSA-N -1 0 326.396 3.562 20 0 EHADRM CCOc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])cc1 ZINC000739496215 602506135 /nfs/dbraw/zinc/50/61/35/602506135.db2.gz FHRQTCDTAOMLJG-UHFFFAOYSA-N -1 0 340.379 3.768 20 0 EHADRM COCc1cccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])c1 ZINC000739843507 602506864 /nfs/dbraw/zinc/50/68/64/602506864.db2.gz SJYCFZDHQUDNHQ-UHFFFAOYSA-N -1 0 340.379 3.516 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)[C@H]3CCc4ccccc43)ccc21 ZINC000740464584 602510324 /nfs/dbraw/zinc/51/03/24/602510324.db2.gz JOBOVTKYXSUXSG-KRWDZBQOSA-N -1 0 336.391 3.786 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)c1 ZINC000740680386 602515024 /nfs/dbraw/zinc/51/50/24/602515024.db2.gz NEYWJRHGIRHORA-UHFFFAOYSA-N -1 0 343.770 3.841 20 0 EHADRM C[C@@H](NC(=O)C1CCC(NC(=O)[O-])CC1)c1cc2ccccc2s1 ZINC000738954897 602517718 /nfs/dbraw/zinc/51/77/18/602517718.db2.gz OXOMYWLEACANRC-LKSINWNRSA-N -1 0 346.452 3.905 20 0 EHADRM CN(C(=O)[O-])C1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000737937309 602532671 /nfs/dbraw/zinc/53/26/71/602532671.db2.gz HHBUHWFLHIMVQS-UHFFFAOYSA-N -1 0 349.431 3.523 20 0 EHADRM O=C([O-])NC[C@@H](NC(=O)c1sccc1C1CC1)C1CCCCC1 ZINC000740610545 602541271 /nfs/dbraw/zinc/54/12/71/602541271.db2.gz HAJHGARHMRPLHW-CQSZACIVSA-N -1 0 336.457 3.572 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2cc(-c3cccs3)[nH]n2)ccc1F ZINC000740698011 602547521 /nfs/dbraw/zinc/54/75/21/602547521.db2.gz KBKBMEUHHZHHQG-UHFFFAOYSA-N -1 0 346.343 3.620 20 0 EHADRM O=C([O-])Nc1cc(C(=O)OCc2cccc3cccnc32)ccc1F ZINC000740694511 602550451 /nfs/dbraw/zinc/55/04/51/602550451.db2.gz GAYRLLPBDLEPEC-UHFFFAOYSA-N -1 0 340.310 3.821 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)c(F)c1 ZINC000740142257 602581176 /nfs/dbraw/zinc/58/11/76/602581176.db2.gz VQEYDEXHFONYSK-CJNGLKHVSA-N -1 0 349.406 3.520 20 0 EHADRM CC(C)CCc1ccccc1NC(=O)N1CCC[C@H](CNC(=O)[O-])C1 ZINC000738821211 602593548 /nfs/dbraw/zinc/59/35/48/602593548.db2.gz PVPDBOGNGFWDCQ-OAHLLOKOSA-N -1 0 347.459 3.787 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(NC(=O)[O-])cc1)c1nc(C)cs1 ZINC000736915171 602598840 /nfs/dbraw/zinc/59/88/40/602598840.db2.gz ZDWCQEUCATWRCU-GFCCVEGCSA-N -1 0 334.401 3.814 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-])c1ccccc1 ZINC000738992042 602605725 /nfs/dbraw/zinc/60/57/25/602605725.db2.gz WHQQDZBHVOCEGY-CYBMUJFWSA-N -1 0 339.395 4.000 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)OCc1ccc(Cl)nc1)c1ccccc1 ZINC000740540515 602658429 /nfs/dbraw/zinc/65/84/29/602658429.db2.gz RALLOVUJJRTXJQ-CQSZACIVSA-N -1 0 348.786 3.567 20 0 EHADRM CC[C@@H](Nc1ccccc1)C(=O)Nc1ccc(NC(=O)[O-])c(OC)c1 ZINC000739271427 602667297 /nfs/dbraw/zinc/66/72/97/602667297.db2.gz OCSUQHFEFAKKSN-CQSZACIVSA-N -1 0 343.383 3.614 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)C[C@@H]2CCc3ccccc3C2)c1 ZINC000740674482 602667570 /nfs/dbraw/zinc/66/75/70/602667570.db2.gz RIFUNMVJASQFAS-CQSZACIVSA-N -1 0 338.407 3.588 20 0 EHADRM C[C@H](NC(=O)[O-])C1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000739016732 602685874 /nfs/dbraw/zinc/68/58/74/602685874.db2.gz KDUVSJGHXDYDQH-NSHDSACASA-N -1 0 333.819 3.761 20 0 EHADRM C[C@@H](NC(=O)[O-])C1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000739016731 602685915 /nfs/dbraw/zinc/68/59/15/602685915.db2.gz KDUVSJGHXDYDQH-LLVKDONJSA-N -1 0 333.819 3.761 20 0 EHADRM CCCCc1ccc(NC(=O)c2csc(CNC(=O)[O-])n2)cc1 ZINC000739340253 602694053 /nfs/dbraw/zinc/69/40/53/602694053.db2.gz BTKDSBXYZVFJCO-UHFFFAOYSA-N -1 0 333.413 3.506 20 0 EHADRM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)C1CCN(C(=O)[O-])CC1 ZINC000738324662 602716723 /nfs/dbraw/zinc/71/67/23/602716723.db2.gz ZDBAMHILIGPQHG-KRWDZBQOSA-N -1 0 332.444 3.541 20 0 EHADRM C[C@@H](NC(=O)CCC(C)(C)NC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000738958850 602785535 /nfs/dbraw/zinc/78/55/35/602785535.db2.gz DDKRCOHEYSSNCQ-SNVBAGLBSA-N -1 0 346.349 3.709 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)CCC(C)(C)NC(=O)[O-])cc2)cs1 ZINC000740208779 602786722 /nfs/dbraw/zinc/78/67/22/602786722.db2.gz NOGCLUTYWBRFPD-UHFFFAOYSA-N -1 0 347.440 3.883 20 0 EHADRM Cc1ccc(C(=O)N[C@@H]2CCOc3c(C)cccc32)cc1NC(=O)[O-] ZINC000830210891 602787482 /nfs/dbraw/zinc/78/74/82/602787482.db2.gz FPILCCVJJYKUDO-OAHLLOKOSA-N -1 0 340.379 3.647 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)CCC(C)(C)NC(=O)[O-])cc2)oc1C ZINC000740206262 602794678 /nfs/dbraw/zinc/79/46/78/602794678.db2.gz DFSTVSPLXWYCPT-UHFFFAOYSA-N -1 0 345.399 3.723 20 0 EHADRM C[C@@H]1c2c(F)cccc2CCN1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736838887 602816268 /nfs/dbraw/zinc/81/62/68/602816268.db2.gz WHFLULPHWIOIOW-LLVKDONJSA-N -1 0 328.343 3.675 20 0 EHADRM O=C([O-])N1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1coc2ccccc12 ZINC000740519020 602846337 /nfs/dbraw/zinc/84/63/37/602846337.db2.gz RWCGPNVEWOOWEO-HOTGVXAUSA-N -1 0 342.395 3.570 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc(NC(=O)[O-])cc1O ZINC000739080912 602864492 /nfs/dbraw/zinc/86/44/92/602864492.db2.gz GJPOQDOBOHUGSV-GXTWGEPZSA-N -1 0 340.379 3.500 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CCCC[C@@H]2c2ccco2)ccc1F ZINC000740694818 602882071 /nfs/dbraw/zinc/88/20/71/602882071.db2.gz AMWLWCPTZFQGSS-CQSZACIVSA-N -1 0 332.331 3.876 20 0 EHADRM CC[C@H](NC(=O)Nc1cc(NC(=O)[O-])ccc1F)c1nccs1 ZINC000739262405 602901183 /nfs/dbraw/zinc/90/11/83/602901183.db2.gz APRYPMMVBJEZNI-JTQLQIEISA-N -1 0 338.364 3.645 20 0 EHADRM C[C@H](CC(=O)N(Cc1ccco1)c1ccc(Cl)cc1)NC(=O)[O-] ZINC000824566228 602903780 /nfs/dbraw/zinc/90/37/80/602903780.db2.gz XLDNGYFYJJQTEL-LLVKDONJSA-N -1 0 336.775 3.512 20 0 EHADRM C[C@H](CC(=O)N(Cc1ccccc1F)c1ccccc1F)NC(=O)[O-] ZINC000824566128 602903798 /nfs/dbraw/zinc/90/37/98/602903798.db2.gz WJQMMWSJGUYTBE-GFCCVEGCSA-N -1 0 348.349 3.544 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000826633855 602905431 /nfs/dbraw/zinc/90/54/31/602905431.db2.gz XXURDAWYAOKWHE-JQFCIGGWSA-N -1 0 348.443 3.767 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(Cl)cc2Cl)CC[C@@H]1NC(=O)[O-] ZINC000739145786 602908294 /nfs/dbraw/zinc/90/82/94/602908294.db2.gz KESYEIKTNUHRLC-KWQFWETISA-N -1 0 346.214 3.503 20 0 EHADRM CC(C)(CCC(=O)O[C@H](c1ccccc1)c1ccncc1)NC(=O)[O-] ZINC000738743508 602927530 /nfs/dbraw/zinc/92/75/30/602927530.db2.gz CLSOWUFBKXXPFS-QGZVFWFLSA-N -1 0 342.395 3.541 20 0 EHADRM Cc1csc(C2(NC(=O)c3ccc(C)c(NC(=O)[O-])c3)CCC2)n1 ZINC000830661573 602946501 /nfs/dbraw/zinc/94/65/01/602946501.db2.gz ZJNCGEVOCWROAI-UHFFFAOYSA-N -1 0 345.424 3.659 20 0 EHADRM Cc1cccc(NC(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)c1C ZINC000740173947 602954880 /nfs/dbraw/zinc/95/48/80/602954880.db2.gz YSPLELUCKXKBGM-UHFFFAOYSA-N -1 0 339.395 3.984 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)C[C@@H]2CCOc3ccccc32)cc1 ZINC000738667828 602961389 /nfs/dbraw/zinc/96/13/89/602961389.db2.gz UIQCKHBUSURRSN-LBPRGKRZSA-N -1 0 327.336 3.638 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)CC(C)(C)NC(=O)[O-] ZINC000739363471 602962933 /nfs/dbraw/zinc/96/29/33/602962933.db2.gz IYJQBUWCEOCGFH-UHFFFAOYSA-N -1 0 328.796 3.504 20 0 EHADRM Cc1nc(-c2c[nH]c(C(=O)Oc3ccc(NC(=O)[O-])cc3)c2)cs1 ZINC000738334571 602966645 /nfs/dbraw/zinc/96/66/45/602966645.db2.gz CNVRLQRIBWUGNO-UHFFFAOYSA-N -1 0 343.364 3.756 20 0 EHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)C[C@@H]2CCCN2C(=O)[O-])o1 ZINC000830284031 602975330 /nfs/dbraw/zinc/97/53/30/602975330.db2.gz YPYDWLACJVFSQY-GJZGRUSLSA-N -1 0 334.416 3.564 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc([C@H](C)Oc2cccc(F)c2)n1 ZINC000738817051 603000025 /nfs/dbraw/zinc/00/00/25/603000025.db2.gz OXYIIXWGWFZZQC-GWCFXTLKSA-N -1 0 337.351 3.704 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc([C@H](C)Oc2ccccc2F)n1 ZINC000738815464 603001616 /nfs/dbraw/zinc/00/16/16/603001616.db2.gz GQMWQGYEUIHXDV-JQWIXIFHSA-N -1 0 337.351 3.704 20 0 EHADRM C[C@@H]1C[C@@H](CC(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])CC(C)(C)C1 ZINC000739079918 603003349 /nfs/dbraw/zinc/00/33/49/603003349.db2.gz AIXANHUQXJBIEI-FVPDABNVSA-N -1 0 336.476 3.629 20 0 EHADRM CCOc1ccc(N(C)C(=O)c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000739507974 603007850 /nfs/dbraw/zinc/00/78/50/603007850.db2.gz TTYGLYJDWIMZTJ-UHFFFAOYSA-N -1 0 332.331 3.591 20 0 EHADRM CC(C)(CCC(=O)Nc1ccc(COC2CCCC2)cc1)NC(=O)[O-] ZINC000738744795 603008944 /nfs/dbraw/zinc/00/89/44/603008944.db2.gz QOEXXRVWHHZCND-UHFFFAOYSA-N -1 0 348.443 3.911 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc([C@H](C)Oc2ccccc2Cl)n1 ZINC000738908168 603009284 /nfs/dbraw/zinc/00/92/84/603009284.db2.gz NKXZMZSZDRNXEA-ZJUUUORDSA-N -1 0 339.779 3.576 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc(/C=C/c2ccc(Cl)s2)n1 ZINC000738911726 603020402 /nfs/dbraw/zinc/02/04/02/603020402.db2.gz WZTKGOISLXKIES-YZCDNWJKSA-N -1 0 327.793 3.668 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)NC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000740183356 603024165 /nfs/dbraw/zinc/02/41/65/603024165.db2.gz KEGLODFDKQKGAU-CRAIPNDOSA-N -1 0 340.423 3.614 20 0 EHADRM COc1cc(C)sc1C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739856439 603024969 /nfs/dbraw/zinc/02/49/69/603024969.db2.gz KBCFCOCNMCDCQM-UHFFFAOYSA-N -1 0 346.408 3.748 20 0 EHADRM C[C@H](c1ccccn1)N(C)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739057659 603032285 /nfs/dbraw/zinc/03/22/85/603032285.db2.gz DYICIHZQXTWQKA-SNVBAGLBSA-N -1 0 332.335 3.536 20 0 EHADRM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739195626 603032617 /nfs/dbraw/zinc/03/26/17/603032617.db2.gz BWPQUMZSSYQJTG-MGPLVRAMSA-N -1 0 343.358 3.971 20 0 EHADRM Cc1ccccc1CCNC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000740181940 603038147 /nfs/dbraw/zinc/03/81/47/603038147.db2.gz FPTMTJAQOWOJSM-UHFFFAOYSA-N -1 0 331.347 3.588 20 0 EHADRM CN(CCc1ccccc1F)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739703459 603041234 /nfs/dbraw/zinc/04/12/34/603041234.db2.gz CPJJEVXWQDWXAW-UHFFFAOYSA-N -1 0 349.337 3.761 20 0 EHADRM COc1ccc(C(=O)Oc2ccc(N(C)C(=O)[O-])cc2)c(Cl)c1 ZINC000829291547 603048337 /nfs/dbraw/zinc/04/83/37/603048337.db2.gz BTJVEEUNQHGHLB-UHFFFAOYSA-N -1 0 335.743 3.682 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NCc2nc(-c3ccccc3)no2)cc1 ZINC000739016739 603102399 /nfs/dbraw/zinc/10/23/99/603102399.db2.gz KJGSDSBXUMKOPP-GFCCVEGCSA-N -1 0 338.367 3.677 20 0 EHADRM COc1ccc(Cl)cc1N(C)C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000738014336 603102847 /nfs/dbraw/zinc/10/28/47/603102847.db2.gz SVGDBMJWEZHDEX-UHFFFAOYSA-N -1 0 334.759 3.715 20 0 EHADRM CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1cccc(Nc2ccccc2)c1 ZINC000736381916 603114136 /nfs/dbraw/zinc/11/41/36/603114136.db2.gz MYQPBKPZZHUIAN-MRXNPFEDSA-N -1 0 327.384 3.661 20 0 EHADRM CCCCOc1ccccc1NC(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000739339650 603136645 /nfs/dbraw/zinc/13/66/45/603136645.db2.gz PXTVUNZQCRIGOU-UHFFFAOYSA-N -1 0 349.431 3.566 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)N1CCC2(CCCC2)C1)c1ccccc1 ZINC000832119477 603139268 /nfs/dbraw/zinc/13/92/68/603139268.db2.gz JHKRGWPNOBISOY-INIZCTEOSA-N -1 0 330.428 3.568 20 0 EHADRM CCN(Cc1cccc(NC(=O)NCc2sccc2C)c1)C(=O)[O-] ZINC000739445795 603142720 /nfs/dbraw/zinc/14/27/20/603142720.db2.gz HRMIZUVSCYDPJZ-UHFFFAOYSA-N -1 0 347.440 3.878 20 0 EHADRM Cc1cccc2c(Cc3nc([C@@H](CC(C)C)NC(=O)[O-])no3)c[nH]c21 ZINC000740180398 603146970 /nfs/dbraw/zinc/14/69/70/603146970.db2.gz UBPAIOJDNKXDPI-CQSZACIVSA-N -1 0 342.399 3.805 20 0 EHADRM Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc(NC(=O)[O-])cc2)c1 ZINC000830274072 603155660 /nfs/dbraw/zinc/15/56/60/603155660.db2.gz DMEJERMMIPXATK-CYBMUJFWSA-N -1 0 328.368 3.799 20 0 EHADRM CC(C)N(C(=O)COc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000737634495 603155923 /nfs/dbraw/zinc/15/59/23/603155923.db2.gz BITJZPFLURBNEX-UHFFFAOYSA-N -1 0 328.368 3.597 20 0 EHADRM CSc1cccc(NC(=O)COc2ccc(NC(=O)[O-])cc2)c1 ZINC000738146529 603156614 /nfs/dbraw/zinc/15/66/14/603156614.db2.gz QBVMZXMHSALGJB-UHFFFAOYSA-N -1 0 332.381 3.516 20 0 EHADRM CCc1ccccc1NC(=O)[C@H](C)Oc1ccc(NC(=O)[O-])cc1 ZINC000827606080 603157216 /nfs/dbraw/zinc/15/72/16/603157216.db2.gz ZRCHAXPHHBHMTN-LBPRGKRZSA-N -1 0 328.368 3.745 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)Nc2ncc(-c3ccccc3)s2)C1 ZINC000740561412 603168520 /nfs/dbraw/zinc/16/85/20/603168520.db2.gz CNPCPLKAKMHZNK-QWHCGFSZSA-N -1 0 345.424 3.575 20 0 EHADRM O=C([O-])N1CCc2c(cccc2NC(=O)c2ccc3ncccc3c2)C1 ZINC000740473397 603177449 /nfs/dbraw/zinc/17/74/49/603177449.db2.gz DZJQBBOAPJIEIQ-UHFFFAOYSA-N -1 0 347.374 3.523 20 0 EHADRM O=C([O-])N1CCc2c(cccc2NC(=O)Cc2cccc(Cl)c2)C1 ZINC000740383863 603178785 /nfs/dbraw/zinc/17/87/85/603178785.db2.gz FDVFOYPCRYOFOS-UHFFFAOYSA-N -1 0 344.798 3.557 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2cc3c(cccc3F)[nH]2)cc1 ZINC000825442786 603179534 /nfs/dbraw/zinc/17/95/34/603179534.db2.gz PMMOHEFYJWZVFR-SNVBAGLBSA-N -1 0 341.342 3.888 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC[C@@H]1NC(=O)[O-] ZINC000739145694 603185324 /nfs/dbraw/zinc/18/53/24/603185324.db2.gz JODQOLIPXSHUEJ-UFBFGSQYSA-N -1 0 346.214 3.503 20 0 EHADRM CCOc1cc(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)ccc1C ZINC000827413379 603190195 /nfs/dbraw/zinc/19/01/95/603190195.db2.gz IVJULAYCTATINI-ZDUSSCGKSA-N -1 0 342.395 3.975 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000825423147 603193251 /nfs/dbraw/zinc/19/32/51/603193251.db2.gz OAKRUUYBMNPUNX-LLVKDONJSA-N -1 0 332.787 3.850 20 0 EHADRM Cc1ccc(CCC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1 ZINC000830295836 603193840 /nfs/dbraw/zinc/19/38/40/603193840.db2.gz CZDBDOJHAKDJJU-CQSZACIVSA-N -1 0 326.396 3.895 20 0 EHADRM O=C([O-])N[C@H](CNc1ccc(C(F)(F)F)cn1)c1ccccc1 ZINC000832141021 603202362 /nfs/dbraw/zinc/20/23/62/603202362.db2.gz PTJDURQGMSYCMH-GFCCVEGCSA-N -1 0 325.290 3.521 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2Cl)CCS1 ZINC000824164141 603205925 /nfs/dbraw/zinc/20/59/25/603205925.db2.gz GMTBBLDKZXJCDR-ZDUSSCGKSA-N -1 0 342.848 3.644 20 0 EHADRM CCOc1ccc(NC(=O)[C@H](C)[C@@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000827432907 603211060 /nfs/dbraw/zinc/21/10/60/603211060.db2.gz DMMMTFOVHQYUPQ-CXAGYDPISA-N -1 0 342.395 3.669 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)N(Cc2ccoc2)C2CCCCC2)C1 ZINC000740566032 603218878 /nfs/dbraw/zinc/21/88/78/603218878.db2.gz STPFVCSNTCTGHN-CVEARBPZSA-N -1 0 348.443 3.767 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NC1CCCCCC1 ZINC000829173848 603220054 /nfs/dbraw/zinc/22/00/54/603220054.db2.gz NSQJJMLBULTKQL-UHFFFAOYSA-N -1 0 340.807 3.891 20 0 EHADRM Cc1nc2cc(NC(=O)c3ccc(C)c(NC(=O)[O-])c3)ccc2n1C ZINC000830230765 603221653 /nfs/dbraw/zinc/22/16/53/603221653.db2.gz PPGNZUXOMISLPJ-UHFFFAOYSA-N -1 0 338.367 3.532 20 0 EHADRM COc1ccc([C@H](C)CCNC(=O)c2ccc(NC(=O)[O-])cc2)cc1 ZINC000737949479 603221937 /nfs/dbraw/zinc/22/19/37/603221937.db2.gz MYORDBBQGHPYSA-CYBMUJFWSA-N -1 0 342.395 3.709 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)CCC(C)(C)NC(=O)[O-] ZINC000739084315 603224702 /nfs/dbraw/zinc/22/47/02/603224702.db2.gz QEWCQEABRAVSDY-IIAWOOMASA-N -1 0 332.444 3.606 20 0 EHADRM C[C@H](Cc1ccsc1)NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000738941493 603227568 /nfs/dbraw/zinc/22/75/68/603227568.db2.gz BYNMCIHEVMVFID-SECBINFHSA-N -1 0 338.816 3.852 20 0 EHADRM CCC[C@](C)(NC(=O)[O-])C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000826719837 603229693 /nfs/dbraw/zinc/22/96/93/603229693.db2.gz CASIWMWXQDJCMQ-SFHVURJKSA-N -1 0 343.383 3.639 20 0 EHADRM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CCN(C(=O)[O-])C(C)C)o1 ZINC000830281960 603230787 /nfs/dbraw/zinc/23/07/87/603230787.db2.gz NEBGQOOMGVHOQC-DZGCQCFKSA-N -1 0 336.432 3.666 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)o1 ZINC000830281437 603231019 /nfs/dbraw/zinc/23/10/19/603231019.db2.gz GOEPBUSEQVZXKW-OJLVUWQFSA-N -1 0 348.443 3.714 20 0 EHADRM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)C2CCN(C(=O)[O-])CC2)o1 ZINC000827585109 603232773 /nfs/dbraw/zinc/23/27/73/603232773.db2.gz ZRAVKVYYJIAUOB-CZUORRHYSA-N -1 0 348.443 3.532 20 0 EHADRM CC(C)C[C@H](C(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)[O-])C1)c1ccccc1 ZINC000738805185 603236305 /nfs/dbraw/zinc/23/63/05/603236305.db2.gz LIBFEYUMZJBLQV-JQHSSLGASA-N -1 0 346.471 3.711 20 0 EHADRM CN(Cc1csc2ccccc12)C(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739717581 603241396 /nfs/dbraw/zinc/24/13/96/603241396.db2.gz OYNOAGZHSJCHQW-GXTWGEPZSA-N -1 0 346.452 3.686 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1F ZINC000829303074 603246307 /nfs/dbraw/zinc/24/63/07/603246307.db2.gz MJMJFGMHPOLXDJ-LLVKDONJSA-N -1 0 346.358 3.724 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NC[C@@H]2CCc3ccccc32)c(Cl)c1 ZINC000740699491 603247594 /nfs/dbraw/zinc/24/75/94/603247594.db2.gz UNDABOBFFLBPPP-LBPRGKRZSA-N -1 0 344.798 3.890 20 0 EHADRM O=C([O-])NC[C@H]1CCC[C@H]1NC(=O)Nc1cccc(Cl)c1Cl ZINC000832484227 603250670 /nfs/dbraw/zinc/25/06/70/603250670.db2.gz WCIAOEYEEGNRSV-PSASIEDQSA-N -1 0 346.214 3.551 20 0 EHADRM CC[C@H](NC(=O)c1ccc(CNC(=O)[O-])o1)c1ccc(Cl)cc1 ZINC000826613616 603268273 /nfs/dbraw/zinc/26/82/73/603268273.db2.gz NAGLXZVXYQULQQ-ZDUSSCGKSA-N -1 0 336.775 3.582 20 0 EHADRM O=C([O-])N1CCCN(C(=O)CCCc2cccs2)c2ccccc21 ZINC000740515614 603298368 /nfs/dbraw/zinc/29/83/68/603298368.db2.gz ISHRQSLIKCHJAI-UHFFFAOYSA-N -1 0 344.436 3.992 20 0 EHADRM C[C@@H]1CCC[C@@H](C)N(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])C1 ZINC000825888010 603301272 /nfs/dbraw/zinc/30/12/72/603301272.db2.gz NIHUBMXKRUPQPF-CHWSQXEVSA-N -1 0 331.416 3.770 20 0 EHADRM O=C([O-])N1CCC(N(C(=O)CC2CCCC2)c2ccccc2F)CC1 ZINC000740499559 603301491 /nfs/dbraw/zinc/30/14/91/603301491.db2.gz AFARMNFMMHKMKI-UHFFFAOYSA-N -1 0 348.418 3.881 20 0 EHADRM O=C([O-])NCCCCCCC(=O)N1CCCCC[C@H]1c1ccco1 ZINC000740648339 603301792 /nfs/dbraw/zinc/30/17/92/603301792.db2.gz OVICSLQAGMNVAJ-HNNXBMFYSA-N -1 0 336.432 3.941 20 0 EHADRM O=C([O-])N1CCc2c(cccc2NC(=O)N2CCC3(CCCC3)C2)C1 ZINC000832079902 603325126 /nfs/dbraw/zinc/32/51/26/603325126.db2.gz PTFOLUDWYZVTRT-UHFFFAOYSA-N -1 0 343.427 3.521 20 0 EHADRM CCN(Cc1ccccc1)C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000739443303 603335595 /nfs/dbraw/zinc/33/55/95/603335595.db2.gz JCCPGLRAXFDLSV-UHFFFAOYSA-N -1 0 341.411 3.850 20 0 EHADRM C[C@H]1CN(C(=O)C(C)(C)CCCc2ccccc2)CC[C@H]1NC(=O)[O-] ZINC000739124148 603335834 /nfs/dbraw/zinc/33/58/34/603335834.db2.gz RNZZYHYZCVBEJX-DOTOQJQBSA-N -1 0 346.471 3.540 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N1CCC[C@H]1C1CC1)C(=O)[O-] ZINC000739444478 603349685 /nfs/dbraw/zinc/34/96/85/603349685.db2.gz ADLVZQJWYHQEAM-INIZCTEOSA-N -1 0 331.416 3.593 20 0 EHADRM CCCCN(C(=O)Nc1ccccc1CN(CC)C(=O)[O-])C1CC1 ZINC000739326211 603352386 /nfs/dbraw/zinc/35/23/86/603352386.db2.gz AXBYPDOBXGGJJD-UHFFFAOYSA-N -1 0 333.432 3.983 20 0 EHADRM CN(Cc1cccc(NC(=O)NCCCc2ccccc2)c1)C(=O)[O-] ZINC000739716054 603358769 /nfs/dbraw/zinc/35/87/69/603358769.db2.gz UZHISNWJRBLWSW-UHFFFAOYSA-N -1 0 341.411 3.551 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc(CN(C)C(=O)[O-])c1)c1cccs1 ZINC000738991571 603361801 /nfs/dbraw/zinc/36/18/01/603361801.db2.gz UBHWWMKJTINFIQ-LLVKDONJSA-N -1 0 333.413 3.741 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N(C)[C@@H](C)c2ccncc2)cc1 ZINC000825422855 603365246 /nfs/dbraw/zinc/36/52/46/603365246.db2.gz LODSAFADZRLRRG-OLZOCXBDSA-N -1 0 342.399 3.635 20 0 EHADRM Cc1ccccc1CN(C)C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000830573604 603369875 /nfs/dbraw/zinc/36/98/75/603369875.db2.gz PNYHPMVPSOAZLU-CQSZACIVSA-N -1 0 341.411 3.988 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1)c1nccs1 ZINC000826613480 603371211 /nfs/dbraw/zinc/37/12/11/603371211.db2.gz KCFGMYSQUDTBHA-GXFFZTMASA-N -1 0 348.428 3.745 20 0 EHADRM O=C([O-])N1CC[C@@H](CSc2nnc(CCC3CCCCC3)o2)C1 ZINC000740500076 603374703 /nfs/dbraw/zinc/37/47/03/603374703.db2.gz DTZNFDDERQFONC-CYBMUJFWSA-N -1 0 339.461 3.675 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)cs1 ZINC000830709714 603375990 /nfs/dbraw/zinc/37/59/90/603375990.db2.gz PFVMLNVBNDWCQC-VHSXEESVSA-N -1 0 348.428 3.663 20 0 EHADRM CCc1ccc(NC(=S)NC[C@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000739543231 603379657 /nfs/dbraw/zinc/37/96/57/603379657.db2.gz UCKHXWAVBYHKRU-INIZCTEOSA-N -1 0 343.452 3.544 20 0 EHADRM Cc1ccc(CNC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)cc1 ZINC000830317095 603389328 /nfs/dbraw/zinc/38/93/28/603389328.db2.gz LYUVVSSJKWYSQX-ZDUSSCGKSA-N -1 0 327.384 3.645 20 0 EHADRM Cc1ccnc(-c2cccc(NC(=O)c3ccc(NC(=O)[O-])cc3)c2)n1 ZINC000738325054 603392918 /nfs/dbraw/zinc/39/29/18/603392918.db2.gz UPTTVBJUAAAWST-UHFFFAOYSA-N -1 0 348.362 3.794 20 0 EHADRM O=C([O-])NC[C@@H](c1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 ZINC000832433011 603408568 /nfs/dbraw/zinc/40/85/68/603408568.db2.gz DXEMLAAYXUQEKD-CQSZACIVSA-N -1 0 343.770 3.790 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(-c2cnc3ccsc3c2)n1 ZINC000824219625 603415727 /nfs/dbraw/zinc/41/57/27/603415727.db2.gz VVDUIULOYKIEFL-NSHDSACASA-N -1 0 332.385 3.701 20 0 EHADRM C[C@]1(c2nc(C3(NC(=O)[O-])CCCC3)no2)CCc2ccccc2C1 ZINC000825772512 603415914 /nfs/dbraw/zinc/41/59/14/603415914.db2.gz LETBJHGWUSBQDM-SFHVURJKSA-N -1 0 341.411 3.553 20 0 EHADRM CSc1ccc(C(=O)N2CCCN(C(=O)[O-])c3ccccc32)o1 ZINC000740022867 603431833 /nfs/dbraw/zinc/43/18/33/603431833.db2.gz TVESSMFOQHIHCO-UHFFFAOYSA-N -1 0 332.381 3.536 20 0 EHADRM CN(Cc1ccccc1NC(=O)C/C=C/c1cccc(F)c1)C(=O)[O-] ZINC000828393211 603437315 /nfs/dbraw/zinc/43/73/15/603437315.db2.gz IWTOBEOGPCWYGG-FNORWQNLSA-N -1 0 342.370 3.978 20 0 EHADRM CC(C)C[C@H](C)OCCc1nc(-c2cccc(NC(=O)[O-])c2)no1 ZINC000824183147 603462745 /nfs/dbraw/zinc/46/27/45/603462745.db2.gz OFXDWLGDQIJJBZ-LBPRGKRZSA-N -1 0 333.388 3.820 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)c2ccc(CNC(=O)[O-])o2)cc1 ZINC000823754453 603462970 /nfs/dbraw/zinc/46/29/70/603462970.db2.gz LNCLUKJHCWKGLW-UHFFFAOYSA-N -1 0 344.367 3.528 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)[C@H]3CC[C@H](NC(=O)[O-])C3)ccc2o1 ZINC000823864037 603467456 /nfs/dbraw/zinc/46/74/56/603467456.db2.gz GNLMZZYJBBWJFW-QWRGUYRKSA-N -1 0 345.399 3.500 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)N(C)C1CCC(NC(=O)[O-])CC1 ZINC000830554294 603475720 /nfs/dbraw/zinc/47/57/20/603475720.db2.gz LYMSRKAYARAVEB-FHERZECASA-N -1 0 332.444 3.526 20 0 EHADRM CN(Cc1ccccc1NC(=O)C/C=C/c1ccc(F)cc1)C(=O)[O-] ZINC000828394562 603480443 /nfs/dbraw/zinc/48/04/43/603480443.db2.gz XTMPILNHWVQFNC-SNAWJCMRSA-N -1 0 342.370 3.978 20 0 EHADRM COc1ccc(S[C@@H](C)C(=O)Oc2cccc(NC(=O)[O-])c2)cc1 ZINC000829510865 603482230 /nfs/dbraw/zinc/48/22/30/603482230.db2.gz PRPIOQWBWXGCAE-NSHDSACASA-N -1 0 347.392 3.871 20 0 EHADRM CC(C)N(CCCNC(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000824347477 603484628 /nfs/dbraw/zinc/48/46/28/603484628.db2.gz ZFUBTQYNSJBVSO-UHFFFAOYSA-N -1 0 333.215 3.502 20 0 EHADRM C[C@H](CCOc1ccccc1)C(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000824810610 603515260 /nfs/dbraw/zinc/51/52/60/603515260.db2.gz RPCFBOYGWYAFIU-CYBMUJFWSA-N -1 0 329.352 3.787 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)C1CCN(C(=O)[O-])CC1 ZINC000829867649 603518231 /nfs/dbraw/zinc/51/82/31/603518231.db2.gz QKAHEOFSJQDNAT-UHFFFAOYSA-N -1 0 348.443 3.639 20 0 EHADRM CC(C)C[C@@H]1CCN(C(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)C1 ZINC000824232855 603597829 /nfs/dbraw/zinc/59/78/29/603597829.db2.gz UBVDJJGHTGJCLR-AWEZNQCLSA-N -1 0 345.443 3.623 20 0 EHADRM CC[C@H]1C[C@H](C)CN1C(=O)Nc1ccccc1CN(CC)C(=O)[O-] ZINC000826661585 603601512 /nfs/dbraw/zinc/60/15/12/603601512.db2.gz SEJNUMOJRCTTKX-ZFWWWQNUSA-N -1 0 333.432 3.839 20 0 EHADRM CC(C)n1ccnc1COC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000824528127 603715074 /nfs/dbraw/zinc/71/50/74/603715074.db2.gz FRKZUMGYLYXFSB-UHFFFAOYSA-N -1 0 337.763 3.564 20 0 EHADRM CC(C)(c1nc(C2(NC(=O)[O-])CCC2)no1)c1cccc(Cl)c1 ZINC000824038934 603769503 /nfs/dbraw/zinc/76/95/03/603769503.db2.gz PFJSLCHYZHTDEV-UHFFFAOYSA-N -1 0 335.791 3.696 20 0 EHADRM C/C(=C/c1ccc(F)cc1)c1nc(C2(NC(=O)[O-])CCCC2)no1 ZINC000823528522 603831697 /nfs/dbraw/zinc/83/16/97/603831697.db2.gz VKFNLYNYXWWLLF-KHPPLWFESA-N -1 0 331.347 3.806 20 0 EHADRM Cc1nc(CN2CCCN(C(=O)[O-])c3ccccc32)nc2ccccc12 ZINC000830750435 603911022 /nfs/dbraw/zinc/91/10/22/603911022.db2.gz AWSQDMNNNQOCCM-UHFFFAOYSA-N -1 0 348.406 3.833 20 0 EHADRM O=C([O-])NC1(CC(=O)Nc2cccc(CCC(F)(F)F)c2)CCC1 ZINC000832211047 603929431 /nfs/dbraw/zinc/92/94/31/603929431.db2.gz KRHIMDQVDXRMIL-UHFFFAOYSA-N -1 0 344.333 3.700 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)Cc1ccccc1Cl ZINC000831562908 603942771 /nfs/dbraw/zinc/94/27/71/603942771.db2.gz WUEVKOYDFRYOHQ-UHFFFAOYSA-N -1 0 330.771 3.562 20 0 EHADRM O=C([O-])N[C@H]1CC[C@H](C(=O)N2Cc3ccccc3-c3ccccc32)C1 ZINC000832255309 603951756 /nfs/dbraw/zinc/95/17/56/603951756.db2.gz SRDWHPHLYSKHKR-ZFWWWQNUSA-N -1 0 336.391 3.637 20 0 EHADRM CCS[C@@H]1CCCC[C@H]1NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000827503909 604042111 /nfs/dbraw/zinc/04/21/11/604042111.db2.gz NUSNMCIVNJYWRV-TZMCWYRMSA-N -1 0 340.420 3.710 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)[C@H](C)Sc2ccccn2)cc1 ZINC000825622497 604043292 /nfs/dbraw/zinc/04/32/92/604043292.db2.gz DDUWGNBDPQRFQB-RYUDHWBXSA-N -1 0 345.424 3.530 20 0 EHADRM Cc1ccc(-c2cnc(CN3CCCC[C@@H]3[C@H](C)NC(=O)[O-])o2)cc1 ZINC000830149562 604044041 /nfs/dbraw/zinc/04/40/41/604044041.db2.gz RPCFUPJYKGAYKE-GOEBONIOSA-N -1 0 343.427 3.661 20 0 EHADRM O=C(/C=C/SCc1ccco1)Nc1cccc2c1CCN2C(=O)[O-] ZINC000831292118 604047637 /nfs/dbraw/zinc/04/76/37/604047637.db2.gz JPHWGIPMDHYPBV-JXMROGBWSA-N -1 0 344.392 3.706 20 0 EHADRM Cc1cccc(Cl)c1NC(=O)C[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000830506220 604053463 /nfs/dbraw/zinc/05/34/63/604053463.db2.gz WLVBOJQRAIXIDQ-AWEZNQCLSA-N -1 0 346.814 3.856 20 0 EHADRM C[C@H](OC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC000825553516 604057404 /nfs/dbraw/zinc/05/74/04/604057404.db2.gz YFQUFQMMEBASAY-GAFUQQFSSA-N -1 0 345.317 3.746 20 0 EHADRM Cc1c(Cl)cccc1NC(=O)N1CCC[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000829871516 604061830 /nfs/dbraw/zinc/06/18/30/604061830.db2.gz BQESELJGVOXVOZ-NEPJUHHUSA-N -1 0 339.823 3.548 20 0 EHADRM CN(C[C@@H]1CCCN1Cc1ncc(-c2cccc(Cl)c2)o1)C(=O)[O-] ZINC000828229942 604088881 /nfs/dbraw/zinc/08/88/81/604088881.db2.gz JUTQCJZGUJZLBA-AWEZNQCLSA-N -1 0 349.818 3.569 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N1C[C@H]2CCCC[C@@H]2C1)C(=O)[O-] ZINC000827181857 604145178 /nfs/dbraw/zinc/14/51/78/604145178.db2.gz BGPNXYUTSYIYHA-HUUCEWRRSA-N -1 0 345.443 3.840 20 0 EHADRM CCN(Cc1ccccc1NC(=O)Cc1c(F)cccc1F)C(=O)[O-] ZINC000827183097 604170744 /nfs/dbraw/zinc/17/07/44/604170744.db2.gz ZCAMYHAMOLPJSS-UHFFFAOYSA-N -1 0 348.349 3.646 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)Cc3cccc(F)c3F)ccc21 ZINC000831558674 604198360 /nfs/dbraw/zinc/19/83/60/604198360.db2.gz SRBBPFWKUFXKPT-UHFFFAOYSA-N -1 0 346.333 3.577 20 0 EHADRM O=C([O-])NC1(CC(=O)Nc2cccc(NC3CCCC3)c2)CCC1 ZINC000832211193 604223254 /nfs/dbraw/zinc/22/32/54/604223254.db2.gz RFFMAWYTUVPJGY-UHFFFAOYSA-N -1 0 331.416 3.560 20 0 EHADRM Cc1ccc(C(=O)N2CCc3c(F)cc(F)cc3C2)cc1NC(=O)[O-] ZINC000830198203 604273334 /nfs/dbraw/zinc/27/33/34/604273334.db2.gz INXWOBGZXDOBRM-UHFFFAOYSA-N -1 0 346.333 3.562 20 0 EHADRM C[C@@H](CC(=O)N1Cc2ccccc2[C@H](C)C1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000825974862 604289198 /nfs/dbraw/zinc/28/91/98/604289198.db2.gz LSKQDJKOHYPMGA-XHSDSOJGSA-N -1 0 344.455 3.549 20 0 EHADRM CCN(Cc1cccs1)C(=O)C[C@H](C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000827192678 604289388 /nfs/dbraw/zinc/28/93/88/604289388.db2.gz BGTGCFUOPFOJMA-UONOGXRCSA-N -1 0 338.473 3.513 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC000828193099 604294586 /nfs/dbraw/zinc/29/45/86/604294586.db2.gz SPZAHTFAYILKKD-PIGZYNQJSA-N -1 0 345.345 3.886 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2[nH]c3ccc(F)cc3c2Cl)c1 ZINC000572195274 604312319 /nfs/dbraw/zinc/31/23/19/604312319.db2.gz QNTKDOFQXINGCR-UHFFFAOYSA-N -1 0 338.747 3.972 20 0 EHADRM CC(C)C[C@H]1CCCN(C(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])C1 ZINC000824225668 604312423 /nfs/dbraw/zinc/31/24/23/604312423.db2.gz VJLMLKHRRSAYOT-MGNMYUMUSA-N -1 0 336.476 3.582 20 0 EHADRM Cc1cnc(-c2cccc(NC(=O)c3c(C)[nH]c(C(=O)[O-])c3C)c2)o1 ZINC000738330509 604312710 /nfs/dbraw/zinc/31/27/10/604312710.db2.gz FYGZXHZRWZJRJF-UHFFFAOYSA-N -1 0 339.351 3.545 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2c[nH]nc2-c2ccccc2Cl)c1 ZINC000833342867 604314981 /nfs/dbraw/zinc/31/49/81/604314981.db2.gz QROGIJYNCRTDDM-UHFFFAOYSA-N -1 0 347.783 3.742 20 0 EHADRM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1c(C)[nH]c(C(=O)[O-])c1C ZINC000737782737 604316233 /nfs/dbraw/zinc/31/62/33/604316233.db2.gz FYJACJYKUMORQW-AWEZNQCLSA-N -1 0 348.830 3.734 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2OCC2CC2)cc1F ZINC000833160499 604321697 /nfs/dbraw/zinc/32/16/97/604321697.db2.gz IRTVDWVFYDDEKH-UHFFFAOYSA-N -1 0 329.327 3.565 20 0 EHADRM Cc1ccc(NC(=O)C2(NC(=O)[O-])CCCCC2)cc1-c1ncco1 ZINC000830358652 604340695 /nfs/dbraw/zinc/34/06/95/604340695.db2.gz PZHDZZLDTFRPKM-UHFFFAOYSA-N -1 0 343.383 3.559 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCC[C@@H]2CCC2CCCCC2)n1 ZINC000833327304 604343677 /nfs/dbraw/zinc/34/36/77/604343677.db2.gz GXOSUGYGLLNKRU-OAHLLOKOSA-N -1 0 330.428 3.745 20 0 EHADRM CCc1ccc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])s1 ZINC000830232230 604373712 /nfs/dbraw/zinc/37/37/12/604373712.db2.gz KBTZQYDEPGNRSJ-OAHLLOKOSA-N -1 0 331.437 3.892 20 0 EHADRM C[C@H](CC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])c1ccncc1 ZINC000827225978 604377016 /nfs/dbraw/zinc/37/70/16/604377016.db2.gz GMXUQAIPRYMOOR-RDTXWAMCSA-N -1 0 340.423 3.544 20 0 EHADRM COc1ccc(C(C)(C)C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000832216614 604379664 /nfs/dbraw/zinc/37/96/64/604379664.db2.gz CKHIQSPBCHSTHW-UHFFFAOYSA-N -1 0 349.333 3.588 20 0 EHADRM O=C([O-])CC1(NC(=O)c2ccc(F)cc2C(F)(F)F)CCCCC1 ZINC000833203852 604391140 /nfs/dbraw/zinc/39/11/40/604391140.db2.gz YQEHRVYCYNPZIP-UHFFFAOYSA-N -1 0 347.308 3.752 20 0 EHADRM Cc1cc(Cl)ncc1NC(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832887004 604407811 /nfs/dbraw/zinc/40/78/11/604407811.db2.gz QGVCRFHQCORFPJ-XHDPSFHLSA-N -1 0 347.802 3.627 20 0 EHADRM C[C@@H](NC(=O)NCc1ccc([C@H](C)NC(=O)[O-])cc1)c1ccccc1 ZINC000825383810 604427569 /nfs/dbraw/zinc/42/75/69/604427569.db2.gz XEXQFFSNUJCWQQ-KGLIPLIRSA-N -1 0 341.411 3.576 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cc(F)cc(F)c1 ZINC000829026150 604427611 /nfs/dbraw/zinc/42/76/11/604427611.db2.gz GZFARWGBUGUEIE-INIZCTEOSA-N -1 0 333.334 3.643 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccc(C)c(F)c1 ZINC000829028744 604428369 /nfs/dbraw/zinc/42/83/69/604428369.db2.gz XZFFJTBRJPUHHJ-KRWDZBQOSA-N -1 0 329.371 3.812 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)Cc2ccccc2Cl)cc1 ZINC000825377525 604446611 /nfs/dbraw/zinc/44/66/11/604446611.db2.gz FODDTCWELBAOBI-GFCCVEGCSA-N -1 0 346.814 3.528 20 0 EHADRM COc1cc(OC)cc([C@H](C(=O)[O-])N2C[C@@H](C)[C@H]2c2ccccc2)c1 ZINC000832041107 604480854 /nfs/dbraw/zinc/48/08/54/604480854.db2.gz NRVRTBVJOQVXBF-ZNZDAUKMSA-N -1 0 341.407 3.523 20 0 EHADRM CCc1nc(NC(=O)CCCSC(C)(C)C)sc1C(=O)[O-] ZINC000833676784 604481609 /nfs/dbraw/zinc/48/16/09/604481609.db2.gz WSUBQPHPSXJJHM-UHFFFAOYSA-N -1 0 330.475 3.654 20 0 EHADRM COc1ccccc1CC(C)(C)NC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000832602527 604504941 /nfs/dbraw/zinc/50/49/41/604504941.db2.gz SMZNJKLPGBSFTM-UHFFFAOYSA-N -1 0 348.424 3.598 20 0 EHADRM O=C([O-])c1csc(NC(=O)N2CCC[C@H]2Cc2ccc(F)cc2)c1 ZINC000833342294 604505676 /nfs/dbraw/zinc/50/56/76/604505676.db2.gz JEQZUVVZWGKDCD-AWEZNQCLSA-N -1 0 348.399 3.824 20 0 EHADRM O=C([O-])c1csc(NC(=O)N(Cc2ccccc2F)C2CC2)c1 ZINC000833342351 604505686 /nfs/dbraw/zinc/50/56/86/604505686.db2.gz JWNMSEIZCCOTHX-UHFFFAOYSA-N -1 0 334.372 3.782 20 0 EHADRM Cc1cccc2c(CCNC(=O)Nc3cc(C(=O)[O-])cs3)c[nH]c21 ZINC000832975488 604513929 /nfs/dbraw/zinc/51/39/29/604513929.db2.gz XQOKFZNALUVUGE-UHFFFAOYSA-N -1 0 343.408 3.600 20 0 EHADRM O=C([O-])c1csc(NC(=O)NC[C@H]2SCCc3ccccc32)c1 ZINC000833138629 604515023 /nfs/dbraw/zinc/51/50/23/604515023.db2.gz ILZNCHDBNSAVIS-CYBMUJFWSA-N -1 0 348.449 3.598 20 0 EHADRM CCS[C@H]1CCCC[C@H]1NC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000830157976 604520813 /nfs/dbraw/zinc/52/08/13/604520813.db2.gz PYAAAPXWIOOYHQ-MNOVXSKESA-N -1 0 328.459 3.632 20 0 EHADRM Cc1ccc(F)c(NC(=O)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)c1 ZINC000830329298 604527365 /nfs/dbraw/zinc/52/73/65/604527365.db2.gz QTUZTHPRHXRSOI-GFCCVEGCSA-N -1 0 345.374 3.784 20 0 EHADRM CCCN(CC(F)F)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000829482230 604530028 /nfs/dbraw/zinc/53/00/28/604530028.db2.gz LUSQDWRDXDTFKX-CQSZACIVSA-N -1 0 342.386 3.525 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)N1Cc2ccccc2C1)c1ccccc1 ZINC000826096504 604534078 /nfs/dbraw/zinc/53/40/78/604534078.db2.gz WPHATTZPOWXIOX-QGZVFWFLSA-N -1 0 338.407 3.564 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000325842097 604542799 /nfs/dbraw/zinc/54/27/99/604542799.db2.gz XYJDNHXGDSMPPO-CGTJXYLNSA-N -1 0 329.440 3.950 20 0 EHADRM C/C(=C\c1ccccc1Cl)C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000833386347 604546362 /nfs/dbraw/zinc/54/63/62/604546362.db2.gz NVCNBUPXVDFJOM-HBWSCVEGSA-N -1 0 335.812 3.747 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000539603791 604557569 /nfs/dbraw/zinc/55/75/69/604557569.db2.gz KJZCZKLUIMGSRR-UHFFFAOYSA-N -1 0 343.427 3.859 20 0 EHADRM CC(C)[C@@H](C(=O)NC[C@@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1 ZINC000833466407 604561639 /nfs/dbraw/zinc/56/16/39/604561639.db2.gz YKAXFYBABMBZFF-QZTJIDSGSA-N -1 0 343.398 3.550 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2cc(Cl)c(Cl)n2C)oc1C(=O)[O-] ZINC000832874749 604563226 /nfs/dbraw/zinc/56/32/26/604563226.db2.gz LBQLMQFJPNDOBF-ZETCQYMHSA-N -1 0 346.166 3.850 20 0 EHADRM Cc1cc([C@H](C)OC(=O)[C@@H](C)Cc2cccc(F)c2)oc1C(=O)[O-] ZINC000832877912 604575922 /nfs/dbraw/zinc/57/59/22/604575922.db2.gz VHFKRUJONVUVBO-RYUDHWBXSA-N -1 0 334.343 3.908 20 0 EHADRM Cc1cc([C@H](C)OC(=O)Cc2c[nH]c3cc(C)ccc23)oc1C(=O)[O-] ZINC000832959825 604580070 /nfs/dbraw/zinc/58/00/70/604580070.db2.gz JXGVPIRPRCUJGM-LBPRGKRZSA-N -1 0 341.363 3.923 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)CCCSc1ccc(Cl)cc1 ZINC000261968490 604580347 /nfs/dbraw/zinc/58/03/47/604580347.db2.gz PUSLPIPPGNQVTA-CYBMUJFWSA-N -1 0 341.860 3.678 20 0 EHADRM C[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)[C@@H]1C ZINC000833614689 604587810 /nfs/dbraw/zinc/58/78/10/604587810.db2.gz RYWATVKUHQOLBA-NXEZZACHSA-N -1 0 342.342 3.639 20 0 EHADRM Cc1cc([C@H](C)OC(=O)CNc2c(C)cccc2C)oc1C(=O)[O-] ZINC000832873110 604592339 /nfs/dbraw/zinc/59/23/39/604592339.db2.gz ZHKWFTQBWZLJIA-ZDUSSCGKSA-N -1 0 331.368 3.619 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2ccc(N3CC=CC3)cc2)oc1C(=O)[O-] ZINC000832873447 604592376 /nfs/dbraw/zinc/59/23/76/604592376.db2.gz CPNVVWSSQSTGEH-CYBMUJFWSA-N -1 0 341.363 3.580 20 0 EHADRM COc1cc(-c2ccccc2)sc1C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000262874764 604598029 /nfs/dbraw/zinc/59/80/29/604598029.db2.gz GKVNHYDSGQDKGU-ZDUSSCGKSA-N -1 0 345.420 3.503 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2ccc(OC(C)C)c(N)c2)oc1C(=O)[O-] ZINC000832877415 604598715 /nfs/dbraw/zinc/59/87/15/604598715.db2.gz YQIYMRQBYLPZKE-LLVKDONJSA-N -1 0 347.367 3.574 20 0 EHADRM CC1(C)CCC[C@@H](CC(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)C1 ZINC000833560448 604621185 /nfs/dbraw/zinc/62/11/85/604621185.db2.gz FONYZBVVVUVTCV-NSHDSACASA-N -1 0 336.457 3.943 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)N3CCC[C@H]3CC(=O)[O-])ccc21 ZINC000826917719 604624519 /nfs/dbraw/zinc/62/45/19/604624519.db2.gz IQLQIUZHFCIUOZ-INIZCTEOSA-N -1 0 343.427 3.768 20 0 EHADRM O=C([O-])Nc1ccc(CCNc2nc(C(F)(F)F)cs2)cc1 ZINC000833285658 604632069 /nfs/dbraw/zinc/63/20/69/604632069.db2.gz GEMURFGVLULXIM-UHFFFAOYSA-N -1 0 331.319 3.906 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)N2CCC[C@H]2CC(=O)[O-])cc1 ZINC000826860882 604634831 /nfs/dbraw/zinc/63/48/31/604634831.db2.gz HLMJVSDWBRAGPH-HNNXBMFYSA-N -1 0 334.416 3.583 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000832853410 604635732 /nfs/dbraw/zinc/63/57/32/604635732.db2.gz JUQFMZUEZYEKIE-HNNXBMFYSA-N -1 0 348.443 3.781 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000833209184 604638788 /nfs/dbraw/zinc/63/87/88/604638788.db2.gz CDFJJQRQLSCPDX-VIFPVBQESA-N -1 0 332.734 3.749 20 0 EHADRM Cc1sc(NC(=O)N2CCc3c(F)cccc3C2)c(C(=O)[O-])c1C ZINC000833758120 604660052 /nfs/dbraw/zinc/66/00/52/604660052.db2.gz NNRMFUHIISFYNS-UHFFFAOYSA-N -1 0 348.399 3.792 20 0 EHADRM CCN(CC)c1ccc(NC(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC000833654684 604677189 /nfs/dbraw/zinc/67/71/89/604677189.db2.gz ZZEHITDQDZHSMN-UHFFFAOYSA-N -1 0 340.423 3.802 20 0 EHADRM O=C([O-])c1ccc(COC(=O)Cc2ccc(F)cc2Cl)cc1F ZINC000833118059 604692587 /nfs/dbraw/zinc/69/25/87/604692587.db2.gz GYXNSABDIJHAFU-UHFFFAOYSA-N -1 0 340.709 3.602 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)Cc2ccc(F)cc2Cl)c2ccccc21 ZINC000833216242 604697916 /nfs/dbraw/zinc/69/79/16/604697916.db2.gz DDIOXWKFTVQMFU-LBPRGKRZSA-N -1 0 347.773 3.627 20 0 EHADRM CCc1cc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])oc1CC ZINC000192870663 604703958 /nfs/dbraw/zinc/70/39/58/604703958.db2.gz LHEILDFFSAOJLA-SJCJKPOMSA-N -1 0 329.396 3.596 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccn(-c3ccccc3Cl)n2)s1 ZINC000833312249 604720627 /nfs/dbraw/zinc/72/06/27/604720627.db2.gz RIVJKFKHXJLHAX-UHFFFAOYSA-N -1 0 347.783 3.538 20 0 EHADRM O=C([O-])CCc1csc(NC(=O)CC/C=C/c2ccccc2)n1 ZINC000833237837 604722407 /nfs/dbraw/zinc/72/24/07/604722407.db2.gz MVEZHOMKSKLCNO-XBXARRHUSA-N -1 0 330.409 3.592 20 0 EHADRM Cc1ccc(-c2cncc(C(=O)N(C)C3(C(=O)[O-])CCCC3)c2)cc1 ZINC000832907095 604723697 /nfs/dbraw/zinc/72/36/97/604723697.db2.gz MNXIENJGWWFKLV-UHFFFAOYSA-N -1 0 338.407 3.526 20 0 EHADRM Cc1cc(F)cc(NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])c1 ZINC000832888454 604733071 /nfs/dbraw/zinc/73/30/71/604733071.db2.gz TVPGHQZBABNTAL-NSHDSACASA-N -1 0 333.384 3.952 20 0 EHADRM CC(C)(Cc1ccccc1Cl)NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000262207656 604738606 /nfs/dbraw/zinc/73/86/06/604738606.db2.gz PKPBVUSHAODORV-UHFFFAOYSA-N -1 0 345.826 3.718 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC000262800672 604761902 /nfs/dbraw/zinc/76/19/02/604761902.db2.gz MJVVIXYCKAWDER-UGSOOPFHSA-N -1 0 341.382 3.676 20 0 EHADRM CCOc1cc(Br)ccc1NCc1ccoc1C(=O)[O-] ZINC000833661878 604775858 /nfs/dbraw/zinc/77/58/58/604775858.db2.gz WYFJTYCFAQZHCA-UHFFFAOYSA-N -1 0 340.173 3.751 20 0 EHADRM CC(C)(C)[S@](=O)Cc1cccc(NCc2ccoc2C(=O)[O-])c1 ZINC000833447543 604777385 /nfs/dbraw/zinc/77/73/85/604777385.db2.gz TXDHCUDSKNHVCK-HSZRJFAPSA-N -1 0 335.425 3.637 20 0 EHADRM COc1cc(NC(=O)Nc2cc(F)cc(F)c2)ccc1NC(=O)[O-] ZINC000829168306 604779009 /nfs/dbraw/zinc/77/90/09/604779009.db2.gz XIJNVDVJKFZCQW-UHFFFAOYSA-N -1 0 337.282 3.707 20 0 EHADRM Cc1cccc(-c2cncc(C(=O)NCc3ccc(C(=O)[O-])cc3)c2)c1 ZINC000431212301 604804914 /nfs/dbraw/zinc/80/49/14/604804914.db2.gz KREMTIILTHKFIU-UHFFFAOYSA-N -1 0 346.386 3.685 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(Br)cc2)cc1F ZINC000833153434 604807222 /nfs/dbraw/zinc/80/72/22/604807222.db2.gz NPYWQRWBPCXXCB-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM C[C@@H](CSCc1ccccc1)C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000827582112 604816611 /nfs/dbraw/zinc/81/66/11/604816611.db2.gz YPZJAINZLNIMBO-AWEZNQCLSA-N -1 0 344.432 3.789 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCC2(c3cccc(Cl)c3)CC2)cc1F ZINC000833139718 604824791 /nfs/dbraw/zinc/82/47/91/604824791.db2.gz KYWVKSKRLSOBHM-UHFFFAOYSA-N -1 0 347.773 3.639 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)COC2(C)CCC2)cc1 ZINC000761628519 604825587 /nfs/dbraw/zinc/82/55/87/604825587.db2.gz MSZYVMRNWPNXPB-INIZCTEOSA-N -1 0 347.455 3.575 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000833596576 604836939 /nfs/dbraw/zinc/83/69/39/604836939.db2.gz FMCNAXUTFWGKHR-CLCXKQKWSA-N -1 0 337.419 3.720 20 0 EHADRM C[C@H](NC(=O)[O-])C1CCN(C(=O)c2ccc(-c3ccco3)s2)CC1 ZINC000825287045 604845847 /nfs/dbraw/zinc/84/58/47/604845847.db2.gz HLHFZIBCEMYYLS-NSHDSACASA-N -1 0 348.424 3.516 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)c(F)c1 ZINC000832913474 604850328 /nfs/dbraw/zinc/85/03/28/604850328.db2.gz BEMJBZRVZPFYAP-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2ccccc2Cl)cc1Cl ZINC000237966780 604850599 /nfs/dbraw/zinc/85/05/99/604850599.db2.gz XSVJMTCJZDSYRQ-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=S)Nc2ccc(Cl)cc2)C1 ZINC000833416562 604858745 /nfs/dbraw/zinc/85/87/45/604858745.db2.gz AMUWICWQUHXHQW-NSHDSACASA-N -1 0 340.876 3.860 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(F)cc2C)cc1 ZINC000191071906 604859982 /nfs/dbraw/zinc/85/99/82/604859982.db2.gz WEDJJCGXYJZCGW-INIZCTEOSA-N -1 0 347.411 3.802 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000669434852 604860173 /nfs/dbraw/zinc/86/01/73/604860173.db2.gz LVQURBLKBCVSPU-PBHICJAKSA-N -1 0 345.439 3.719 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000013224094 604865788 /nfs/dbraw/zinc/86/57/88/604865788.db2.gz GUDXDTNWNPRFHF-CQSZACIVSA-N -1 0 338.190 3.939 20 0 EHADRM C[C@@H](CC(=O)N(C[C@H](C)C(=O)[O-])C1CC1)Cc1ccc(Cl)cc1 ZINC000191165979 604868559 /nfs/dbraw/zinc/86/85/59/604868559.db2.gz PPIPSPDUSMWWIM-OLZOCXBDSA-N -1 0 337.847 3.620 20 0 EHADRM CC(=O)CCCCCCC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000833387512 604870149 /nfs/dbraw/zinc/87/01/49/604870149.db2.gz FUBYMVMQWNOJFP-UHFFFAOYSA-N -1 0 325.792 3.906 20 0 EHADRM C[C@H](CC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)Cc1ccc(Cl)cc1 ZINC000263253469 604870298 /nfs/dbraw/zinc/87/02/98/604870298.db2.gz KEQSWCWQXBAELT-XJKSGUPXSA-N -1 0 349.858 3.622 20 0 EHADRM C[C@H](CC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)Cc1ccc(Cl)cc1 ZINC000263253448 604870566 /nfs/dbraw/zinc/87/05/66/604870566.db2.gz KEQSWCWQXBAELT-BBRMVZONSA-N -1 0 349.858 3.622 20 0 EHADRM CC(C)CO[C@H](C)C(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000833490018 604882269 /nfs/dbraw/zinc/88/22/69/604882269.db2.gz NHCYKMKGZGWNOU-MFKMUULPSA-N -1 0 348.317 3.593 20 0 EHADRM CCc1nc(C)c([C@@H](C)OC(=O)c2ccc(C(=O)[O-])c(F)c2)s1 ZINC000830310205 604885333 /nfs/dbraw/zinc/88/53/33/604885333.db2.gz YSQLUJGVNKDVNG-SECBINFHSA-N -1 0 337.372 3.769 20 0 EHADRM Cc1cccc(C2(C(=O)N3CCC[C@@H](C(C)(C)C(=O)[O-])C3)CCC2)c1 ZINC000326834026 604886695 /nfs/dbraw/zinc/88/66/95/604886695.db2.gz LXMOFCMWIFYESD-QGZVFWFLSA-N -1 0 343.467 3.766 20 0 EHADRM C[C@@H](CC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1cccc(F)c1 ZINC000679104924 604891933 /nfs/dbraw/zinc/89/19/33/604891933.db2.gz FMRPMVAIPPQQSX-ZFWWWQNUSA-N -1 0 335.419 3.669 20 0 EHADRM CC(C)COc1ccc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000327036079 604892683 /nfs/dbraw/zinc/89/26/83/604892683.db2.gz JLYJKQUPFNVOMS-INIZCTEOSA-N -1 0 347.455 3.684 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)CCc2cc(C)cc(C)c2)C(=O)[O-])cc1 ZINC000431541558 604893885 /nfs/dbraw/zinc/89/38/85/604893885.db2.gz ALHGRKSEPKPISY-LJQANCHMSA-N -1 0 339.435 3.529 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2CCSc3ccccc32)C1 ZINC000833414511 604895501 /nfs/dbraw/zinc/89/55/01/604895501.db2.gz AHEJGDIVSZCYII-UKRRQHHQSA-N -1 0 347.480 3.615 20 0 EHADRM CC[C@H](C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000237086767 604899126 /nfs/dbraw/zinc/89/91/26/604899126.db2.gz ASKAPUSMEDACEC-AWEZNQCLSA-N -1 0 347.798 3.936 20 0 EHADRM Cc1cccc(C)c1C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000539615601 604900939 /nfs/dbraw/zinc/90/09/39/604900939.db2.gz LLPZCQXLOMICSY-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM O=C([O-])c1cncc(NC(=O)c2ccc(Oc3ccccc3)cc2)c1 ZINC000327499119 604910115 /nfs/dbraw/zinc/91/01/15/604910115.db2.gz QBAQIULJNONCMC-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N2CCc3ccsc3C2)cc1 ZINC000833420076 604915946 /nfs/dbraw/zinc/91/59/46/604915946.db2.gz YDTKDCJWBRRKLU-UHFFFAOYSA-N -1 0 344.436 3.701 20 0 EHADRM C[C@H]1CCC[C@@H](NC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)C1 ZINC000828244622 604920121 /nfs/dbraw/zinc/92/01/21/604920121.db2.gz AKLJDYRMYHYZIV-WDEREUQCSA-N -1 0 340.807 3.504 20 0 EHADRM COc1cccc([C@@H]2CCCN2C(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000832540457 604924389 /nfs/dbraw/zinc/92/43/89/604924389.db2.gz NYZUYVITXVHIAA-KRWDZBQOSA-N -1 0 343.354 3.510 20 0 EHADRM CC(C)c1nc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)cs1 ZINC000236820274 604936814 /nfs/dbraw/zinc/93/68/14/604936814.db2.gz PJEREAWZDRSAHP-UHFFFAOYSA-N -1 0 346.452 3.774 20 0 EHADRM CCC[C@@H](C)[C@@H]1CCCN1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000829207987 604944974 /nfs/dbraw/zinc/94/49/74/604944974.db2.gz HERGDLVFARIDAP-CJNGLKHVSA-N -1 0 334.416 3.583 20 0 EHADRM CCCCOc1ccccc1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000829421480 604945117 /nfs/dbraw/zinc/94/51/17/604945117.db2.gz DKNPJKCZWSVHDV-UHFFFAOYSA-N -1 0 331.343 3.955 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000213345644 604948789 /nfs/dbraw/zinc/94/87/89/604948789.db2.gz VISUKWKPRAGWHN-NNGSBXSVSA-N -1 0 331.456 3.748 20 0 EHADRM CC(C)CC[C@H]1CCCN1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000826845499 604952955 /nfs/dbraw/zinc/95/29/55/604952955.db2.gz VKDGYEZSXYZADX-MRXNPFEDSA-N -1 0 348.443 3.973 20 0 EHADRM CCC[C@H](C)[C@H]1CCCN1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000829208639 604956776 /nfs/dbraw/zinc/95/67/76/604956776.db2.gz NOLGIKYCICSMTC-XJKSGUPXSA-N -1 0 333.432 3.887 20 0 EHADRM COc1ccc2oc(C(=O)N[C@]3(C)CCCC[C@H]3C(=O)[O-])c(C)c2c1 ZINC000559388680 604958304 /nfs/dbraw/zinc/95/83/04/604958304.db2.gz MMGDMYOROFGFJX-IFXJQAMLSA-N -1 0 345.395 3.513 20 0 EHADRM C[C@@]1(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)CCCC[C@@H]1C(=O)[O-] ZINC000263517604 604959135 /nfs/dbraw/zinc/95/91/35/604959135.db2.gz FNELDHXGCJVMTM-RDTXWAMCSA-N -1 0 348.830 3.514 20 0 EHADRM CC[C@](C)(NC(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccccc1 ZINC000828685489 604966697 /nfs/dbraw/zinc/96/66/97/604966697.db2.gz NMNLIRCCGCSCEF-KRWDZBQOSA-N -1 0 347.440 3.607 20 0 EHADRM C[C@@]1(NC(=O)c2sccc2SC(F)F)CCCC[C@H]1C(=O)[O-] ZINC000833569929 604967592 /nfs/dbraw/zinc/96/75/92/604967592.db2.gz ABXFQKFNIAPMCA-RMLUDKJBSA-N -1 0 349.424 3.826 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)N[C@H](c2ccccc2)C2CC2)C1 ZINC000833413679 604975840 /nfs/dbraw/zinc/97/58/40/604975840.db2.gz FBCROMRLRPFZSR-DLBZAZTESA-N -1 0 344.455 3.670 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)NCCCCc2ccccc2)C1 ZINC000833416502 604976657 /nfs/dbraw/zinc/97/66/57/604976657.db2.gz ATLLYKZOMJCEDQ-QGZVFWFLSA-N -1 0 346.471 3.542 20 0 EHADRM CCCCCN(C(=O)Nc1nc(CCC(=O)[O-])cs1)C(C)C ZINC000829363251 604987232 /nfs/dbraw/zinc/98/72/32/604987232.db2.gz CCBSSTIIZRCNEX-UHFFFAOYSA-N -1 0 327.450 3.593 20 0 EHADRM CC(C)CC1(CNC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)CCC1 ZINC000833479516 604988278 /nfs/dbraw/zinc/98/82/78/604988278.db2.gz HKGMGBIPOLPSKU-OAHLLOKOSA-N -1 0 338.492 3.735 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)C1 ZINC000679102950 604996194 /nfs/dbraw/zinc/99/61/94/604996194.db2.gz LKYIERMVYDXIAH-LBPRGKRZSA-N -1 0 348.830 3.784 20 0 EHADRM CCc1nc(NC(=O)/C=C/Sc2ccccc2)sc1C(=O)[O-] ZINC000833675083 604996331 /nfs/dbraw/zinc/99/63/31/604996331.db2.gz BMJZEAMEDIEROS-CMDGGOBGSA-N -1 0 334.422 3.648 20 0 EHADRM CCc1nc(NC(=O)[C@@H]2CCCc3sccc32)sc1C(=O)[O-] ZINC000833676756 604997382 /nfs/dbraw/zinc/99/73/82/604997382.db2.gz VWOHIQMJDQURDV-SECBINFHSA-N -1 0 336.438 3.524 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2ccc3ccccc3c2O)C1 ZINC000326980142 604997546 /nfs/dbraw/zinc/99/75/46/604997546.db2.gz PKPGZCCIHDNECM-AWEZNQCLSA-N -1 0 341.407 3.508 20 0 EHADRM CCc1nc(NC(=O)CCCOc2ccc(C)cc2)sc1C(=O)[O-] ZINC000833676707 604998418 /nfs/dbraw/zinc/99/84/18/604998418.db2.gz TWHIJVMXKDIXRO-UHFFFAOYSA-N -1 0 348.424 3.510 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1ccc(F)cc1OCC(F)F ZINC000833681154 605005184 /nfs/dbraw/zinc/00/51/84/605005184.db2.gz VDIDJQLLOJZUJB-UHFFFAOYSA-N -1 0 343.301 3.935 20 0 EHADRM CCC[C@H](NC(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)[O-] ZINC000680363658 605022624 /nfs/dbraw/zinc/02/26/24/605022624.db2.gz GULGOZHRHFKTDJ-INIZCTEOSA-N -1 0 331.343 3.601 20 0 EHADRM CCC[C@H](NC(=O)c1ccc(Oc2ccccc2Cl)nc1)C(=O)[O-] ZINC000680363724 605023333 /nfs/dbraw/zinc/02/33/33/605023333.db2.gz HLROKPJPGRWCMB-ZDUSSCGKSA-N -1 0 348.786 3.510 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(N(C)C(=O)[O-])cc1)c1c(F)cccc1F ZINC000833409692 605030422 /nfs/dbraw/zinc/03/04/22/605030422.db2.gz PQWMVYPEMPQXQU-SNVBAGLBSA-N -1 0 334.322 3.821 20 0 EHADRM C[C@@H]1C[C@H]1[C@H](NC(=O)c1cncc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000833605593 605031826 /nfs/dbraw/zinc/03/18/26/605031826.db2.gz QVSIGUPILPFLKE-UHNFBRDESA-N -1 0 344.798 3.560 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)OCc1cc(Br)ccc1F ZINC000833455195 605031908 /nfs/dbraw/zinc/03/19/08/605031908.db2.gz LWYOCIOJVJQWRX-UHFFFAOYSA-N -1 0 347.180 3.522 20 0 EHADRM C[C@@H](C(=O)OCc1ccc(F)cc1C(=O)[O-])c1c(F)cccc1F ZINC000833410675 605036262 /nfs/dbraw/zinc/03/62/62/605036262.db2.gz ZYYMZUYVOPEIRV-SECBINFHSA-N -1 0 338.281 3.649 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)Nc2cc(C(=O)[O-])c[nH]c2=O)cc1 ZINC000833509748 605042923 /nfs/dbraw/zinc/04/29/23/605042923.db2.gz FCOYRNHAXOVGCC-ARJAWSKDSA-N -1 0 340.379 3.651 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000262939168 605063259 /nfs/dbraw/zinc/06/32/59/605063259.db2.gz CBTWCNZTIVKNIO-SFHVURJKSA-N -1 0 343.467 3.531 20 0 EHADRM COc1cccc(CN(CC(C)C)C(=O)C2CCC(C(=O)[O-])CC2)c1 ZINC000630226745 605083626 /nfs/dbraw/zinc/08/36/26/605083626.db2.gz FRIYGCKTZUZWSS-UHFFFAOYSA-N -1 0 347.455 3.571 20 0 EHADRM CC1(C)CC[C@@H](C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)C1 ZINC000833556989 605085238 /nfs/dbraw/zinc/08/52/38/605085238.db2.gz CKLCNNPNXVNVTD-MFKMUULPSA-N -1 0 327.783 3.547 20 0 EHADRM C[C@@H]1CC[C@@]2(CCN(C(=O)NCCc3ccc(NC(=O)[O-])cc3)C2)C1 ZINC000833610215 605089502 /nfs/dbraw/zinc/08/95/02/605089502.db2.gz JSZCURHPAYKEBP-AUUYWEPGSA-N -1 0 345.443 3.541 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cccc(N(C)C(C)C)c1)C(=O)[O-] ZINC000424382758 605099398 /nfs/dbraw/zinc/09/93/98/605099398.db2.gz OYCJNSOLDVPSTQ-UHFFFAOYSA-N -1 0 335.448 3.544 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NCC(c1ccccc1)c1ccccc1 ZINC000190611524 605099519 /nfs/dbraw/zinc/09/95/19/605099519.db2.gz JCQDIHJOJHCWDP-UHFFFAOYSA-N -1 0 339.435 3.826 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000171790153 605106135 /nfs/dbraw/zinc/10/61/35/605106135.db2.gz PCOIAICDAACKDU-UHFFFAOYSA-N -1 0 333.281 3.674 20 0 EHADRM C[C@@H](OC(=O)C1CCC(C(=O)[O-])CC1)c1cnc2ccccc2c1 ZINC000833529852 605117499 /nfs/dbraw/zinc/11/74/99/605117499.db2.gz VLYXMJVLMFHWLL-IYXRBSQSSA-N -1 0 327.380 3.730 20 0 EHADRM CC1(C)CCC(CC(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)CC1 ZINC000833557386 605123558 /nfs/dbraw/zinc/12/35/58/605123558.db2.gz QUCGSRJIXYLYGJ-UHFFFAOYSA-N -1 0 336.457 3.943 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N1CCSC[C@@H]1c1ccccc1 ZINC000833783809 605130222 /nfs/dbraw/zinc/13/02/22/605130222.db2.gz SAVZAYWNSSYXKE-MRXNPFEDSA-N -1 0 342.420 3.707 20 0 EHADRM C[C@H](OC(=O)/C=C/c1ccc2[nH]ccc2c1)c1ccc(C(=O)[O-])o1 ZINC000833527592 605140251 /nfs/dbraw/zinc/14/02/51/605140251.db2.gz JYFWTDDIWYGQHV-KTROKBFUSA-N -1 0 325.320 3.777 20 0 EHADRM C[C@@H](OC(=O)/C=C/c1ccc2[nH]ccc2c1)c1ccc(C(=O)[O-])o1 ZINC000833527587 605140303 /nfs/dbraw/zinc/14/03/03/605140303.db2.gz JYFWTDDIWYGQHV-CGAJTASUSA-N -1 0 325.320 3.777 20 0 EHADRM C[C@H](Nc1ccc(Oc2nncc3ccccc32)c(Cl)c1)C(=O)[O-] ZINC000820154586 605140482 /nfs/dbraw/zinc/14/04/82/605140482.db2.gz QQLCQGBQWHVEGL-JTQLQIEISA-N -1 0 343.770 3.961 20 0 EHADRM C[C@@H](C(=O)Nc1ccccc1C(=O)[O-])c1ccc(Br)cc1 ZINC000833407222 605147133 /nfs/dbraw/zinc/14/71/33/605147133.db2.gz AJYIQGSMWNBMGP-SNVBAGLBSA-N -1 0 348.196 3.890 20 0 EHADRM CC(=O)c1ccc(OCc2coc(-c3ccc(C(=O)[O-])cc3)n2)cc1 ZINC000833401002 605147431 /nfs/dbraw/zinc/14/74/31/605147431.db2.gz DCIUOCDYMDWVSB-UHFFFAOYSA-N -1 0 337.331 3.821 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2cc(-c3ccccc3)ns2)CC1 ZINC000833772068 605151749 /nfs/dbraw/zinc/15/17/49/605151749.db2.gz DPZGJZGDTZXBKG-UHFFFAOYSA-N -1 0 330.409 3.640 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)O[C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)C1 ZINC000833604016 605155519 /nfs/dbraw/zinc/15/55/19/605155519.db2.gz CKCUEBLFQNYCNC-ICCXJUOJSA-N -1 0 330.302 3.968 20 0 EHADRM CCC(CC)n1nc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2)cc1C ZINC000833641586 605165683 /nfs/dbraw/zinc/16/56/83/605165683.db2.gz HGYCXRHEDBHKLE-MRXNPFEDSA-N -1 0 330.384 3.535 20 0 EHADRM C[C@H](c1cc2ccccc2o1)N(C)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000833547519 605177207 /nfs/dbraw/zinc/17/72/07/605177207.db2.gz UPQNECFXVSBDPC-LLVKDONJSA-N -1 0 339.351 3.751 20 0 EHADRM C[C@@H]1CCC[C@@H](C(=O)OCc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000833612963 605190280 /nfs/dbraw/zinc/19/02/80/605190280.db2.gz VINCXTPEWZRZFJ-IUODEOHRSA-N -1 0 343.379 3.909 20 0 EHADRM CC(C)Cc1ccc(CCCC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000833494423 605198008 /nfs/dbraw/zinc/19/80/08/605198008.db2.gz PWICKTANRFPACH-GOSISDBHSA-N -1 0 331.456 3.531 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)C2(c3ccc(F)cc3F)CCC2)cc1 ZINC000833775177 605203141 /nfs/dbraw/zinc/20/31/41/605203141.db2.gz AKVRGKCCQWTDLC-UHFFFAOYSA-N -1 0 346.329 3.619 20 0 EHADRM CN(C(=O)c1cncc(C(=O)[O-])c1)c1ccccc1Oc1ccccc1 ZINC000833688080 605216139 /nfs/dbraw/zinc/21/61/39/605216139.db2.gz BDTHAICAUGALNV-UHFFFAOYSA-N -1 0 348.358 3.849 20 0 EHADRM Cc1c(NC(=O)N2Cc3ccccc3OC[C@@H]2C)cccc1C(=O)[O-] ZINC000833741760 605226957 /nfs/dbraw/zinc/22/69/57/605226957.db2.gz HFSGCCRDAFHHOH-LBPRGKRZSA-N -1 0 340.379 3.508 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)c1cnc(Cc2ccccc2)s1)C(=O)[O-] ZINC000833428997 605229759 /nfs/dbraw/zinc/22/97/59/605229759.db2.gz DWKGNBSJZPJJQE-CYBMUJFWSA-N -1 0 347.436 3.780 20 0 EHADRM CC(C)C[C@H](OC(=O)C[C@H](C)C(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000833480932 605229773 /nfs/dbraw/zinc/22/97/73/605229773.db2.gz RTKQMHIKZJUCCZ-FZMZJTMJSA-N -1 0 340.803 3.591 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000833641869 605231898 /nfs/dbraw/zinc/23/18/98/605231898.db2.gz QZAPFKLOSMKAJI-CYBMUJFWSA-N -1 0 349.456 3.560 20 0 EHADRM C[C@@H]1CN(C(=O)NCCc2ccc(NC(=O)[O-])cc2)[C@H]2CCCC[C@H]12 ZINC000833620822 605242794 /nfs/dbraw/zinc/24/27/94/605242794.db2.gz GORHYDOAIHTGIK-XYPHTWIQSA-N -1 0 345.443 3.539 20 0 EHADRM O=C(CN(C(=O)[O-])c1ccccc1)N[C@H]1CCSc2ccccc21 ZINC000831445718 605242942 /nfs/dbraw/zinc/24/29/42/605242942.db2.gz JILTUNBNHXJMKF-HNNXBMFYSA-N -1 0 342.420 3.524 20 0 EHADRM CN(Cc1cc(F)c(F)c(F)c1)Cc1ccc(F)cc1C(=O)[O-] ZINC000833694741 605247530 /nfs/dbraw/zinc/24/75/30/605247530.db2.gz ZMKNCHMKMMGHON-UHFFFAOYSA-N -1 0 327.277 3.573 20 0 EHADRM C[C@]1(c2ccccc2)CCCN(C(=O)Cc2ccccc2C(=O)[O-])C1 ZINC000262197069 605249232 /nfs/dbraw/zinc/24/92/32/605249232.db2.gz RSVIKJTXWUFVQS-NRFANRHFSA-N -1 0 337.419 3.508 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000262742968 605251544 /nfs/dbraw/zinc/25/15/44/605251544.db2.gz HANSPBXOTWTAGH-APWZRJJASA-N -1 0 339.435 3.630 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(COCc2ccco2)c1 ZINC000055150114 605254625 /nfs/dbraw/zinc/25/46/25/605254625.db2.gz VSATZGCNLQZLAV-UHFFFAOYSA-N -1 0 345.395 3.826 20 0 EHADRM CCCN(C(=O)CC(C)(C)CC(=O)[O-])[C@H](C)c1ccccc1OC ZINC000833650905 605257864 /nfs/dbraw/zinc/25/78/64/605257864.db2.gz AUAAFUBSWYGAIC-CQSZACIVSA-N -1 0 335.444 3.886 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2(c3cccc(F)c3)CCCCC2)cn1 ZINC000833782147 605257983 /nfs/dbraw/zinc/25/79/83/605257983.db2.gz BKXHUFWXKWWHTF-UHFFFAOYSA-N -1 0 342.370 3.760 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)c2cc(Cl)cc(Cl)n2)cc1 ZINC000833686111 605263719 /nfs/dbraw/zinc/26/37/19/605263719.db2.gz XEXIYDBETJEOHJ-UHFFFAOYSA-N -1 0 340.166 3.755 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000630299484 605264764 /nfs/dbraw/zinc/26/47/64/605264764.db2.gz LENCRCKNWPRRKA-OAHLLOKOSA-N -1 0 345.439 3.830 20 0 EHADRM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)Cc1ccccc1C(=O)[O-] ZINC000262721158 605267278 /nfs/dbraw/zinc/26/72/78/605267278.db2.gz FAFOQAYMXSXCIB-QWHCGFSZSA-N -1 0 341.382 3.601 20 0 EHADRM CC[C@H](C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccc(OC)cc1 ZINC000685019572 605267292 /nfs/dbraw/zinc/26/72/92/605267292.db2.gz UGBQGSYDRCZQAG-RDJZCZTQSA-N -1 0 347.455 3.538 20 0 EHADRM C[C@@H](OC(=O)[C@@H]1CCc2c1cccc2Cl)c1ccc(C(=O)[O-])o1 ZINC000833529382 605276306 /nfs/dbraw/zinc/27/63/06/605276306.db2.gz SWQGQIJXWUDWDN-BXKDBHETSA-N -1 0 334.755 3.965 20 0 EHADRM CC(C)[C@@H](C)C(=O)O[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000833469414 605283954 /nfs/dbraw/zinc/28/39/54/605283954.db2.gz WWZCFYFWHOEZRW-MFKMUULPSA-N -1 0 332.318 3.536 20 0 EHADRM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833573284 605284027 /nfs/dbraw/zinc/28/40/27/605284027.db2.gz HGPNFPRLYZIZMR-MAUKXSAKSA-N -1 0 343.358 3.767 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)[C@H](F)Cc1ccccc1)c1ccccc1 ZINC000833411325 605297782 /nfs/dbraw/zinc/29/77/82/605297782.db2.gz CHJXFIKFHSXFKG-IAGOWNOFSA-N -1 0 343.398 3.536 20 0 EHADRM C[C@H](Cc1noc(-c2ccc(Cl)cc2Cl)n1)N(C)C(=O)[O-] ZINC000825037286 605301498 /nfs/dbraw/zinc/30/14/98/605301498.db2.gz ZLXZLUQJUGYHSQ-SSDOTTSWSA-N -1 0 330.171 3.584 20 0 EHADRM COCc1cccc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)c1 ZINC000191471959 605303393 /nfs/dbraw/zinc/30/33/93/605303393.db2.gz RAHLVCPCEFKBHR-LJQANCHMSA-N -1 0 349.386 3.542 20 0 EHADRM CC(C)(C(=O)Nc1ccc(NC(=O)[O-])c(F)c1)c1ccc(F)cc1 ZINC000833411677 605303890 /nfs/dbraw/zinc/30/38/90/605303890.db2.gz NKKNELZXCAEDBL-UHFFFAOYSA-N -1 0 334.322 3.971 20 0 EHADRM C/C(=C/C(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000833382225 605308726 /nfs/dbraw/zinc/30/87/26/605308726.db2.gz LILKSKKBBNHRRR-QQBNSCQMSA-N -1 0 341.329 3.694 20 0 EHADRM O=C([O-])N1CCC(CCC(=O)Nc2ccc(O)c3ccccc23)CC1 ZINC000833990300 605309216 /nfs/dbraw/zinc/30/92/16/605309216.db2.gz DREBKUGRXBJVBT-UHFFFAOYSA-N -1 0 342.395 3.654 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)N[C@H](CC(=O)[O-])c2ccc(C(F)(F)F)cc2)C1 ZINC000833600831 605310001 /nfs/dbraw/zinc/31/00/01/605310001.db2.gz IAGHLYPOVDXKPE-MPKXVKKWSA-N -1 0 343.345 3.774 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2ccc(F)cn2)c(C(F)(F)F)c1 ZINC000834262409 605317847 /nfs/dbraw/zinc/31/78/47/605317847.db2.gz PMMDULZLHONTJJ-UHFFFAOYSA-N -1 0 343.236 3.582 20 0 EHADRM C[C@@H]1CCC[C@H]1C(=O)Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1 ZINC000833608686 605320824 /nfs/dbraw/zinc/32/08/24/605320824.db2.gz OMRGYZCUYCLBEH-ZWNOBZJWSA-N -1 0 330.409 3.883 20 0 EHADRM CCCOc1c(CNc2cncc(C(=O)[O-])c2)cccc1OCC ZINC000833651973 605327820 /nfs/dbraw/zinc/32/78/20/605327820.db2.gz JLBZBCRZMRYVQV-UHFFFAOYSA-N -1 0 330.384 3.579 20 0 EHADRM CC[C@@H]1CN(C(=O)CCC(C)(C)c2ccccc2)CC[C@@H]1NC(=O)[O-] ZINC000833849194 605339349 /nfs/dbraw/zinc/33/93/49/605339349.db2.gz QBELSGTVUMCEIL-WBVHZDCISA-N -1 0 346.471 3.639 20 0 EHADRM C[C@@H]1CCC[C@@H]1C(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC000833607804 605340761 /nfs/dbraw/zinc/34/07/61/605340761.db2.gz HBLLZCMEGSBBQN-YPMHNXCESA-N -1 0 344.436 3.812 20 0 EHADRM CCc1nc([C@@H](C)N[C@H](C(=O)[O-])c2c(F)cccc2Cl)cs1 ZINC000833673220 605359511 /nfs/dbraw/zinc/35/95/11/605359511.db2.gz IKIQCTTUDJISSP-CLAHSXSESA-N -1 0 342.823 3.975 20 0 EHADRM CCn1c2ccc(F)cc2nc1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000833684181 605370025 /nfs/dbraw/zinc/37/00/25/605370025.db2.gz RWTYURSAONUTOF-UHFFFAOYSA-N -1 0 342.330 3.538 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)[C@H]3CCCc4sccc43)ccc21 ZINC000831772373 605371177 /nfs/dbraw/zinc/37/11/77/605371177.db2.gz BXNYWEATCAIPAB-AWEZNQCLSA-N -1 0 342.420 3.847 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N(C)C[C@H]1CC=CCC1)C(=O)[O-] ZINC000630297160 605395568 /nfs/dbraw/zinc/39/55/68/605395568.db2.gz MLLCTEZQTYISTM-KGLIPLIRSA-N -1 0 333.453 3.680 20 0 EHADRM COc1cc2ccncc2cc1OC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000833729439 605406047 /nfs/dbraw/zinc/40/60/47/605406047.db2.gz FELJXVRUMPGGCR-UHFFFAOYSA-N -1 0 338.319 3.553 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2cncc(Cl)c2Cl)cc1 ZINC000834256594 605408681 /nfs/dbraw/zinc/40/86/81/605408681.db2.gz QRSYCXAPRBXUPO-UHFFFAOYSA-N -1 0 326.139 3.731 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)c1ccccc1NC(=O)[O-])C(F)(F)F ZINC000833424528 605409074 /nfs/dbraw/zinc/40/90/74/605409074.db2.gz PLLANZKZKHOSHR-NSHDSACASA-N -1 0 332.322 3.873 20 0 EHADRM O=C([O-])Nc1ccc(CNc2cc3c(cc2Cl)OCCCO3)cn1 ZINC000834260812 605426321 /nfs/dbraw/zinc/42/63/21/605426321.db2.gz ZRYBGLIPMNOOFO-UHFFFAOYSA-N -1 0 349.774 3.598 20 0 EHADRM Cc1ccc(C[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000192846867 605441509 /nfs/dbraw/zinc/44/15/09/605441509.db2.gz BHLBFDQPRJJWIP-KDOFPFPSSA-N -1 0 343.398 3.645 20 0 EHADRM Cc1ccc(C[C@@H](C)C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000685019151 605465098 /nfs/dbraw/zinc/46/50/98/605465098.db2.gz KUXCPGDJICAFRC-NVXWUHKLSA-N -1 0 331.456 3.523 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000685019153 605465439 /nfs/dbraw/zinc/46/54/39/605465439.db2.gz KUXCPGDJICAFRC-RDJZCZTQSA-N -1 0 331.456 3.523 20 0 EHADRM Cc1ccc(C[C@@H](C)C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000685019155 605465514 /nfs/dbraw/zinc/46/55/14/605465514.db2.gz KUXCPGDJICAFRC-WBVHZDCISA-N -1 0 331.456 3.523 20 0 EHADRM O=C([O-])N1CC[C@H](CCC(=O)N(Cc2ccoc2)C2CCCCC2)C1 ZINC000834071251 605479428 /nfs/dbraw/zinc/47/94/28/605479428.db2.gz ILMYBIQGDKKLFM-HNNXBMFYSA-N -1 0 348.443 3.721 20 0 EHADRM C[C@H]1C[C@@H](Nc2cc(C(=O)[O-])ccc2OCc2ccccc2)CCO1 ZINC000833598972 605491612 /nfs/dbraw/zinc/49/16/12/605491612.db2.gz UCJKWGIDZALLJF-YOEHRIQHSA-N -1 0 341.407 3.943 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)Nc1ccsc1C(=O)[O-] ZINC000833660616 605502996 /nfs/dbraw/zinc/50/29/96/605502996.db2.gz OYTQGNGRYVDSGW-UHFFFAOYSA-N -1 0 325.773 3.751 20 0 EHADRM CC(C)(C)OC(=O)NC1CCC(Nc2cccc(CC(=O)[O-])c2)CC1 ZINC000819921744 605545595 /nfs/dbraw/zinc/54/55/95/605545595.db2.gz NYNMQRAOWVPRMS-UHFFFAOYSA-N -1 0 348.443 3.562 20 0 EHADRM C[C@H](NC(=O)C[C@H](NC(=O)[O-])c1ccccc1)c1cc(F)ccc1F ZINC000825101247 605579498 /nfs/dbraw/zinc/57/94/98/605579498.db2.gz NXFIKPAHCCWLMU-ZBEGNZNMSA-N -1 0 348.349 3.541 20 0 EHADRM CCOc1ccc([C@H](C)NC(=O)c2ccc(NC(=O)[O-])c(C)c2)cc1 ZINC000827427248 605587675 /nfs/dbraw/zinc/58/76/75/605587675.db2.gz GYRZYVHMPIDSSU-ZDUSSCGKSA-N -1 0 342.395 3.975 20 0 EHADRM CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000827161890 605601489 /nfs/dbraw/zinc/60/14/89/605601489.db2.gz OHWGHQKYRQDGFV-UHFFFAOYSA-N -1 0 342.395 3.756 20 0 EHADRM O=C([O-])N[C@@H](CC(=O)N1CCCC[C@@H]1c1ccco1)c1ccccc1 ZINC000834124698 605609964 /nfs/dbraw/zinc/60/99/64/605609964.db2.gz YKVMCGIHUZXESW-JKSUJKDBSA-N -1 0 342.395 3.732 20 0 EHADRM CC(C)CCC[C@@H](C)NC(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC000833480974 605620361 /nfs/dbraw/zinc/62/03/61/605620361.db2.gz ODBHAKDEFMOFJC-CYBMUJFWSA-N -1 0 347.459 3.671 20 0 EHADRM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1cc2sccc2s1 ZINC000321351342 970763804 /nfs/dbraw/zinc/76/38/04/970763804.db2.gz XFLDQWQWCDXCTJ-GFCCVEGCSA-N -1 0 343.429 3.615 20 0 EHADRM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000833606782 605631850 /nfs/dbraw/zinc/63/18/50/605631850.db2.gz VULMQDTYURPOLJ-GXSJLCMTSA-N -1 0 330.306 3.580 20 0 EHADRM C[C@H]1CC(C)(C)c2ccccc2N1C(=O)C1CCC(C(=O)[O-])CC1 ZINC000833589921 605645228 /nfs/dbraw/zinc/64/52/28/605645228.db2.gz NSHCIAFALPORMW-NFOMZHRRSA-N -1 0 329.440 3.980 20 0 EHADRM Cc1cc(C(=O)N[C@@H]2CCCOc3ccccc32)ccc1NC(=O)[O-] ZINC000829939015 605661019 /nfs/dbraw/zinc/66/10/19/605661019.db2.gz AVVXNFXOPLVSQY-MRXNPFEDSA-N -1 0 340.379 3.729 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)cn1 ZINC000824463641 605664032 /nfs/dbraw/zinc/66/40/32/605664032.db2.gz MPGOVFIUMAEDRP-LBPRGKRZSA-N -1 0 327.384 3.786 20 0 EHADRM Cc1cc(C(=O)N(CC(F)F)CC2CCC2)ccc1NC(=O)[O-] ZINC000833898838 605673643 /nfs/dbraw/zinc/67/36/43/605673643.db2.gz KXCALNIJUWZTMF-UHFFFAOYSA-N -1 0 326.343 3.592 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N1CCC(c2ccc(O)cc2)CC1 ZINC000833290374 605677346 /nfs/dbraw/zinc/67/73/46/605677346.db2.gz TYTRGTNPVMOWQH-UHFFFAOYSA-N -1 0 340.379 3.502 20 0 EHADRM Cc1cc(C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)ccc1NC(=O)[O-] ZINC000829934177 605701741 /nfs/dbraw/zinc/70/17/41/605701741.db2.gz GMXNOPBZJUVZBC-LBPRGKRZSA-N -1 0 332.322 3.792 20 0 EHADRM Cc1cc(C(=O)N[C@@](C)(C2CC2)C(F)(F)F)ccc1NC(=O)[O-] ZINC000829934706 605704165 /nfs/dbraw/zinc/70/41/65/605704165.db2.gz PJESNJJDVAMUGE-AWEZNQCLSA-N -1 0 330.306 3.546 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000833288361 605706032 /nfs/dbraw/zinc/70/60/32/605706032.db2.gz DFHFORQLLMTKOU-CYBMUJFWSA-N -1 0 328.343 3.545 20 0 EHADRM Cc1c(C(=O)N2CC[C@@H](NC(=O)[O-])C[C@H]2C)oc2c1c(C)ccc2C ZINC000830274256 605724890 /nfs/dbraw/zinc/72/48/90/605724890.db2.gz GWIOFORKTGRZPE-TZMCWYRMSA-N -1 0 344.411 3.619 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000834265462 605756714 /nfs/dbraw/zinc/75/67/14/605756714.db2.gz OWHVWDYZNDLMLD-YPMHNXCESA-N -1 0 344.333 3.556 20 0 EHADRM CCCn1c(C)nnc1SCc1cc(C(=O)[O-])ccc1Cl ZINC000833652841 605784712 /nfs/dbraw/zinc/78/47/12/605784712.db2.gz OMQWVTMTCAUSLU-UHFFFAOYSA-N -1 0 325.821 3.640 20 0 EHADRM C[C@H](C(=O)N1CCCCC[C@@H]1C(=O)[O-])c1ccccc1C(F)(F)F ZINC000833404669 605792220 /nfs/dbraw/zinc/79/22/20/605792220.db2.gz SYXZSCLIJZKLBO-SMDDNHRTSA-N -1 0 343.345 3.665 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)/C=C/c2ccc3[nH]ccc3c2)c(F)c1 ZINC000833776493 605800480 /nfs/dbraw/zinc/80/04/80/605800480.db2.gz KAWLZFLPYZFBOB-ZZXKWVIFSA-N -1 0 339.322 3.553 20 0 EHADRM CC(C)[C@H](C(=O)Oc1ccc(CC(=O)[O-])cc1F)c1ccccc1 ZINC000833466034 605804207 /nfs/dbraw/zinc/80/42/07/605804207.db2.gz PZZYIWPRCBJZMR-SFHVURJKSA-N -1 0 330.355 3.798 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N[C@@H]2CCSc3ccccc32)c1 ZINC000834267667 605805364 /nfs/dbraw/zinc/80/53/64/605805364.db2.gz YOSXUVCAJWHTHP-OAHLLOKOSA-N -1 0 342.420 3.672 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N(CC(F)F)c2ccccc2)c1 ZINC000834263541 605813533 /nfs/dbraw/zinc/81/35/33/605813533.db2.gz BDHICELCJQOZCL-UHFFFAOYSA-N -1 0 334.322 3.617 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N[C@@H](C2CCCC2)C(F)(F)F)c1 ZINC000834266140 605813614 /nfs/dbraw/zinc/81/36/14/605813614.db2.gz VOVNEVQJXYRBBW-AWEZNQCLSA-N -1 0 344.333 3.556 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N(Cc2ccccc2)CC(F)F)c1 ZINC000834265603 605813844 /nfs/dbraw/zinc/81/38/44/605813844.db2.gz YWFPTWKTLKMXEH-UHFFFAOYSA-N -1 0 348.349 3.613 20 0 EHADRM C[C@H](c1ccccc1)c1ccc(OC(=O)c2cc(C(=O)[O-])no2)cc1 ZINC000833548972 605904569 /nfs/dbraw/zinc/90/45/69/605904569.db2.gz NZHJQICAZHAGRI-GFCCVEGCSA-N -1 0 337.331 3.744 20 0 EHADRM CC(C)(C)Oc1ccncc1NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000833791297 605946314 /nfs/dbraw/zinc/94/63/14/605946314.db2.gz SISLLGXPYYABAV-UHFFFAOYSA-N -1 0 347.346 3.740 20 0 EHADRM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000833927080 605992488 /nfs/dbraw/zinc/99/24/88/605992488.db2.gz BDKJDIANHBYTQL-NSHDSACASA-N -1 0 345.399 3.534 20 0 EHADRM Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000833927043 605993754 /nfs/dbraw/zinc/99/37/54/605993754.db2.gz AYNUUOGWRKQROF-LLVKDONJSA-N -1 0 345.399 3.534 20 0 EHADRM O=C([O-])N1CCC(CCC(=O)N2CCC[C@@H]2c2ccccc2)CC1 ZINC000834076351 606005126 /nfs/dbraw/zinc/00/51/26/606005126.db2.gz PPSDZFVANAEKPW-QGZVFWFLSA-N -1 0 330.428 3.520 20 0 EHADRM Cc1cc(C(=O)Nc2cc(NC(=O)[O-])ccc2C)nn1C(C)(C)C ZINC000833905854 606005329 /nfs/dbraw/zinc/00/53/29/606005329.db2.gz CURYUVRAAVUJJV-UHFFFAOYSA-N -1 0 330.388 3.597 20 0 EHADRM CCc1nc2cc(NC(=O)Cc3ccccc3NC(=O)[O-])ccc2o1 ZINC000833866948 606049385 /nfs/dbraw/zinc/04/93/85/606049385.db2.gz RUCYWTYMANZKGK-UHFFFAOYSA-N -1 0 339.351 3.661 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000834272855 606061474 /nfs/dbraw/zinc/06/14/74/606061474.db2.gz HASCYSGUFVMRML-UHFFFAOYSA-N -1 0 343.364 3.674 20 0 EHADRM FC(F)(F)CCCCSCCOc1ccccc1-c1nn[nH]n1 ZINC000826367840 607785173 /nfs/dbraw/zinc/78/51/73/607785173.db2.gz QMOOZRXHKGGYGI-UHFFFAOYSA-N -1 0 346.378 3.711 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(Cl)s1)c1ccc(Cl)c(F)c1 ZINC000181894546 939033614 /nfs/dbraw/zinc/03/36/14/939033614.db2.gz NTXQRINMLIMHLN-NSHDSACASA-N -1 0 348.182 3.750 20 0 EHADRM Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c(C)c1 ZINC000181904416 939034190 /nfs/dbraw/zinc/03/41/90/939034190.db2.gz OXVDAOLBPCEMDD-HNNXBMFYSA-N -1 0 335.762 3.652 20 0 EHADRM O=C([O-])C1(NC(=O)c2cc(Cl)sc2Cl)CCCCCC1 ZINC000223834896 939042868 /nfs/dbraw/zinc/04/28/68/939042868.db2.gz HUXBXCSMAOPOPY-UHFFFAOYSA-N -1 0 336.240 3.962 20 0 EHADRM CC(C)c1ccc(CCC(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000236638450 939043514 /nfs/dbraw/zinc/04/35/14/939043514.db2.gz UUICYVIGXCCFPT-LJQANCHMSA-N -1 0 325.408 3.685 20 0 EHADRM CC1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)(C(=O)[O-])CC1 ZINC000236807021 939045220 /nfs/dbraw/zinc/04/52/20/939045220.db2.gz GCYPONZXAXNQQN-CIJYEEHRSA-N -1 0 335.831 3.593 20 0 EHADRM Cc1ccc(C)c(OCCCCC(=O)NC2(C(=O)[O-])CCCCC2)c1 ZINC000237653727 939047530 /nfs/dbraw/zinc/04/75/30/939047530.db2.gz KARLOAAHPILASN-UHFFFAOYSA-N -1 0 347.455 3.756 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000237999124 939054124 /nfs/dbraw/zinc/05/41/24/939054124.db2.gz MUQIBRYWGYJJCH-NRFANRHFSA-N -1 0 345.398 3.838 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl)c1ccccc1 ZINC000238024464 939055412 /nfs/dbraw/zinc/05/54/12/939055412.db2.gz UXPSNGODODBESG-MQIPJXDCSA-N -1 0 347.773 3.525 20 0 EHADRM C[C@](NC(=O)C1CCCC1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000262870461 939082027 /nfs/dbraw/zinc/08/20/27/939082027.db2.gz BIGMQTOPNGSPDQ-OAHLLOKOSA-N -1 0 330.211 3.600 20 0 EHADRM Cc1ccc(CCCC(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)s1 ZINC000263085061 939098418 /nfs/dbraw/zinc/09/84/18/939098418.db2.gz PZXSSSDPUHWEBU-QGZVFWFLSA-N -1 0 349.427 3.769 20 0 EHADRM CC1CCC(=CC(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)CC1 ZINC000776687869 939104799 /nfs/dbraw/zinc/10/47/99/939104799.db2.gz CIOGVXNVSYSBRF-YRQZNCJOSA-N -1 0 339.794 3.858 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1cc(F)cc(Cl)c1)C1CCCCC1 ZINC000318015779 939122865 /nfs/dbraw/zinc/12/28/65/939122865.db2.gz SODDLEFAVYJZCY-CYBMUJFWSA-N -1 0 328.771 3.634 20 0 EHADRM C[C@](NC(=O)Nc1ccc(Oc2ccccc2)cc1)(C(=O)[O-])C1CC1 ZINC000326593829 939126955 /nfs/dbraw/zinc/12/69/55/939126955.db2.gz DPCAHOVEVKFLNE-LJQANCHMSA-N -1 0 340.379 3.854 20 0 EHADRM CCC1CCC(NC(=O)C[C@H](C)c2cccc(OC)c2)(C(=O)[O-])CC1 ZINC000346013684 939128402 /nfs/dbraw/zinc/12/84/02/939128402.db2.gz JQSNJLSKKMUHQE-BQTBQCLESA-N -1 0 347.455 3.729 20 0 EHADRM CC[C@@](NC(=O)Nc1cccc(C)c1C)(C(=O)[O-])c1ccccc1 ZINC000788317738 939148984 /nfs/dbraw/zinc/14/89/84/939148984.db2.gz KWEQNJXLVKUGEA-IBGZPJMESA-N -1 0 326.396 3.815 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2)c1)C1CC1 ZINC000431456090 939152186 /nfs/dbraw/zinc/15/21/86/939152186.db2.gz KDMKPWMRDYGRFT-MRXNPFEDSA-N -1 0 345.782 3.725 20 0 EHADRM CCC1CCC(NC(=O)c2cnc3ccccc3c2C)(C(=O)[O-])CC1 ZINC000431791239 939158150 /nfs/dbraw/zinc/15/81/50/939158150.db2.gz MFUNZZOVCZWJFJ-UHFFFAOYSA-N -1 0 340.423 3.697 20 0 EHADRM Cc1cccc([C@H](NC(=O)NC[C@@H](C)c2ccccc2)C(=O)[O-])c1C ZINC000797703423 939159721 /nfs/dbraw/zinc/15/97/21/939159721.db2.gz DJWQRQYWHCLFRQ-KDOFPFPSSA-N -1 0 340.423 3.532 20 0 EHADRM CCc1ccc(NC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1F ZINC000797744974 939207515 /nfs/dbraw/zinc/20/75/15/939207515.db2.gz LLKDCXJHLSNMLA-GOSISDBHSA-N -1 0 330.359 3.510 20 0 EHADRM CCc1nc2cc(NC(=O)NC3(C(=O)[O-])CCCCCC3)ccc2o1 ZINC000516948070 939246717 /nfs/dbraw/zinc/24/67/17/939246717.db2.gz AVBQBILHPVBWAJ-UHFFFAOYSA-N -1 0 345.399 3.689 20 0 EHADRM CCOCCCCCC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000864136296 939250625 /nfs/dbraw/zinc/25/06/25/939250625.db2.gz WFCJWTLWEQKXEJ-LJQANCHMSA-N -1 0 343.423 3.679 20 0 EHADRM Cc1ccc([C@@H](NC(=O)c2sccc2C(F)F)C(=O)[O-])cc1C ZINC000872725158 939263120 /nfs/dbraw/zinc/26/31/20/939263120.db2.gz PIXPXBZAZZATFH-GFCCVEGCSA-N -1 0 339.363 3.858 20 0 EHADRM CC(C)[C@](NC(=O)N(C)C1CCCCC1)(C(=O)[O-])c1ccccc1 ZINC000539408859 939280214 /nfs/dbraw/zinc/28/02/14/939280214.db2.gz YWJOLVXQEQZSIU-LJQANCHMSA-N -1 0 332.444 3.597 20 0 EHADRM Cc1ccnc(NC(=O)NC2(C(=O)[O-])CCCCCC2)c1C1CC1 ZINC000908685265 939305892 /nfs/dbraw/zinc/30/58/92/939305892.db2.gz ZSKGRCYBINQBTP-UHFFFAOYSA-N -1 0 331.416 3.567 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2cccc(-c3ncco3)c2)CCCCCC1 ZINC000559584783 939316966 /nfs/dbraw/zinc/31/69/66/939316966.db2.gz DYUFZVSFPCEWSR-UHFFFAOYSA-N -1 0 343.383 3.641 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2ccc3oc(C4CC4)nc3c2)CCCCC1 ZINC000566047308 939353640 /nfs/dbraw/zinc/35/36/40/939353640.db2.gz FSPDHHHJQAOIQA-UHFFFAOYSA-N -1 0 343.383 3.614 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)N[C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC000566864345 939358109 /nfs/dbraw/zinc/35/81/09/939358109.db2.gz BSWPBQCYJKSFCL-YVEFUNNKSA-N -1 0 331.437 3.746 20 0 EHADRM CC[C@](NC(=O)NCc1ccccc1Cl)(C(=O)[O-])c1ccccc1 ZINC000567301766 939360613 /nfs/dbraw/zinc/36/06/13/939360613.db2.gz DZSCUVOUSXZICG-GOSISDBHSA-N -1 0 346.814 3.529 20 0 EHADRM CCc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2C)cc1 ZINC000570385981 939383348 /nfs/dbraw/zinc/38/33/48/939383348.db2.gz NLPNGXWVLHWFOO-QGZVFWFLSA-N -1 0 326.396 3.813 20 0 EHADRM C[C@@H](NC(=O)N[C@](C)(C(=O)[O-])C1CC1)c1cccc(Cl)c1Cl ZINC000570956771 939387716 /nfs/dbraw/zinc/38/77/16/939387716.db2.gz JVSAIKSPYAGORC-GLEZIHRCSA-N -1 0 345.226 3.607 20 0 EHADRM CCC1CCC(NC(=O)c2cscc2C(F)F)(C(=O)[O-])CC1 ZINC000909314004 939392311 /nfs/dbraw/zinc/39/23/11/939392311.db2.gz ADZPKKOTRIVGEQ-UHFFFAOYSA-N -1 0 331.384 3.839 20 0 EHADRM O=C([O-])[C@@H](NC(=O)N[C@@H]1CCCCc2ccccc21)c1ccsc1 ZINC000572198079 939397075 /nfs/dbraw/zinc/39/70/75/939397075.db2.gz KNYRLXBSYLNFAQ-CVEARBPZSA-N -1 0 344.436 3.641 20 0 EHADRM COc1ccc([C@@H](NC(=O)Nc2cccc(C(C)C)c2)C(=O)[O-])cc1 ZINC000573280201 939406652 /nfs/dbraw/zinc/40/66/52/939406652.db2.gz AJZUJPWUEPEDTJ-QGZVFWFLSA-N -1 0 342.395 3.766 20 0 EHADRM CC[C@@H](NC(=O)N[C@@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000578542374 939755223 /nfs/dbraw/zinc/75/52/23/939755223.db2.gz YKAAVWZKSVUDLD-HZPDHXFCSA-N -1 0 348.349 3.541 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(C2CCCCC2)cc1)c1cccnc1 ZINC000910982997 939764726 /nfs/dbraw/zinc/76/47/26/939764726.db2.gz OBANPYVZSDMDRN-SFHVURJKSA-N -1 0 338.407 3.685 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)N[C@@H](C(=O)[O-])c1ccsc1 ZINC000579860532 939765637 /nfs/dbraw/zinc/76/56/37/939765637.db2.gz LDSPZGQFFJOCNS-SJKOYZFVSA-N -1 0 347.436 3.583 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2cccc(CSC3CCCC3)c2)CC1 ZINC000582319964 939783576 /nfs/dbraw/zinc/78/35/76/939783576.db2.gz VUCMOMFBRSPJOG-UHFFFAOYSA-N -1 0 334.441 3.601 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1 ZINC000582463340 939784745 /nfs/dbraw/zinc/78/47/45/939784745.db2.gz ACAVLTLYNVOHGM-MAUKXSAKSA-N -1 0 340.423 3.798 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1ccccc1F)c1ccc(Cl)c(F)c1 ZINC000584816959 939800170 /nfs/dbraw/zinc/80/01/70/939800170.db2.gz FBWSBSBVIRTOOG-ZDUSSCGKSA-N -1 0 340.713 3.566 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)CCc2ccc(C(F)F)cc2)(C(=O)[O-])CC1 ZINC000630207572 939818510 /nfs/dbraw/zinc/81/85/10/939818510.db2.gz RIYXOKTZYAIBIG-KSMLVUNXSA-N -1 0 339.382 3.707 20 0 EHADRM C[C@H](CCC(=O)N[C@@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000649361960 939832628 /nfs/dbraw/zinc/83/26/28/939832628.db2.gz ARLHLAJHDJKTKB-FZKQIMNGSA-N -1 0 329.371 3.652 20 0 EHADRM C[C@@H](C(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1)c1ccc(Cl)s1 ZINC000659181774 939850222 /nfs/dbraw/zinc/85/02/22/939850222.db2.gz UWQPRUZUYPJJEH-IQMDTDKHSA-N -1 0 329.849 3.655 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1ccc(OC(F)F)c(Cl)c1)C1CCCC1 ZINC000663029767 939850581 /nfs/dbraw/zinc/85/05/81/939850581.db2.gz QDLFCJPIIPOPBV-GFCCVEGCSA-N -1 0 347.745 3.771 20 0 EHADRM CCOc1ccc(NC(=O)[C@H](C(=O)[O-])C2CCCC2)cc1Cl ZINC000663081479 939853381 /nfs/dbraw/zinc/85/33/81/939853381.db2.gz VWJMFNOMWQWOSU-CQSZACIVSA-N -1 0 325.792 3.568 20 0 EHADRM C[C@H](C(=O)N[C@](C)(C(=O)[O-])c1ccccc1)c1ccc(Cl)s1 ZINC000683307151 939870298 /nfs/dbraw/zinc/87/02/98/939870298.db2.gz IEUGNNATYJUMDF-QFYYESIMSA-N -1 0 337.828 3.621 20 0 EHADRM CC(C)(CCC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000683308875 939870453 /nfs/dbraw/zinc/87/04/53/939870453.db2.gz XERXULYUUVHPFC-OAQYLSRUSA-N -1 0 339.435 3.861 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1cccc2ccccc21)c1ccsc1 ZINC000683921548 939871258 /nfs/dbraw/zinc/87/12/58/939871258.db2.gz RWBVOAVGDZBRLL-OAHLLOKOSA-N -1 0 326.377 3.849 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)[C@@H]2CCOc3ccccc32)s1 ZINC000321472303 970775523 /nfs/dbraw/zinc/77/55/23/970775523.db2.gz QDZGHCKZQFUBLV-GFCCVEGCSA-N -1 0 331.393 3.514 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1cc3sccc3s1)CC2 ZINC000321865598 970818390 /nfs/dbraw/zinc/81/83/90/970818390.db2.gz GLTHQPLATFYYPJ-UHFFFAOYSA-N -1 0 343.429 3.860 20 0 EHADRM CC1(C)CCC[C@H](NC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C1 ZINC000321876404 970819618 /nfs/dbraw/zinc/81/96/18/970819618.db2.gz PKWDPZCIRHBMMP-VIFPVBQESA-N -1 0 326.343 3.753 20 0 EHADRM C[C@H]1CCC[C@H](NC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CC1 ZINC000321932920 970826696 /nfs/dbraw/zinc/82/66/96/970826696.db2.gz BBXOJBGSMVNQTM-UWVGGRQHSA-N -1 0 326.343 3.753 20 0 EHADRM Cc1nc(-c2ccc(Cl)s2)sc1-c1nc(CC(=O)[O-])no1 ZINC001611227395 970944301 /nfs/dbraw/zinc/94/43/01/970944301.db2.gz DIVBPXSUFLVAKA-UHFFFAOYSA-N -1 0 341.801 3.511 20 0 EHADRM Nc1c(Cl)cc(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1Cl ZINC001601210634 970955216 /nfs/dbraw/zinc/95/52/16/970955216.db2.gz LICOHJHBQOBOOY-DUXPYHPUSA-N -1 0 341.150 3.519 20 0 EHADRM CC[C@@H](C)[C@@H](C(=O)Nc1ccc(C(=O)[O-])c(O)c1)c1ccccc1 ZINC000323994596 971071260 /nfs/dbraw/zinc/07/12/60/971071260.db2.gz DDWGFDZPQINQBG-SJKOYZFVSA-N -1 0 327.380 3.859 20 0 EHADRM Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000324057251 971078508 /nfs/dbraw/zinc/07/85/08/971078508.db2.gz VYZKQVPDXFOVQW-UHFFFAOYSA-N -1 0 346.339 3.801 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)c1cc(Cl)c(F)cc1Cl ZINC001601949416 971092851 /nfs/dbraw/zinc/09/28/51/971092851.db2.gz YSIRJYQKIYLCDI-MRVPVSSYSA-N -1 0 334.174 3.602 20 0 EHADRM Cc1c(CN2CCCc3c(C(=O)[O-])cccc32)cccc1[N+](=O)[O-] ZINC000324326805 971109439 /nfs/dbraw/zinc/10/94/39/971109439.db2.gz VTXUYAOUNQKHKS-UHFFFAOYSA-N -1 0 326.352 3.554 20 0 EHADRM O=C([O-])CCCCNC(=O)NC[C@@]1(Cc2ccccc2)C=CCCC1 ZINC001601988285 971115056 /nfs/dbraw/zinc/11/50/56/971115056.db2.gz BWWIDPIOZVNVME-FQEVSTJZSA-N -1 0 344.455 3.510 20 0 EHADRM CC(C)c1nc2cc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])ccc2o1 ZINC000324458200 971122424 /nfs/dbraw/zinc/12/24/24/971122424.db2.gz HZSQICNQVQGKOV-QWHCGFSZSA-N -1 0 330.384 3.781 20 0 EHADRM Cc1ccc(-c2nnc(COc3cc(Cl)ccc3C(=O)[O-])o2)cc1 ZINC000324512701 971127891 /nfs/dbraw/zinc/12/78/91/971127891.db2.gz NENDSQCGZJNJGK-UHFFFAOYSA-N -1 0 344.754 3.976 20 0 EHADRM Cc1cc([C@H](C)NC(=O)Nc2cccc(OCC(=O)[O-])c2)c(C)s1 ZINC000324519439 971129207 /nfs/dbraw/zinc/12/92/07/971129207.db2.gz OXHSOCAXNGKZQA-NSHDSACASA-N -1 0 348.424 3.711 20 0 EHADRM COc1ccc(Cl)cc1NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000324666052 971145475 /nfs/dbraw/zinc/14/54/75/971145475.db2.gz IRVKCMKTCJCIKW-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM CCCc1ccccc1NC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000324705340 971149498 /nfs/dbraw/zinc/14/94/98/971149498.db2.gz QSDLJBCSDFGTQV-UHFFFAOYSA-N -1 0 326.396 3.702 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2ccccc2N2CCCC2)CCCC1 ZINC000325140408 971190563 /nfs/dbraw/zinc/19/05/63/971190563.db2.gz ZHTDJZGDRIVLAF-UHFFFAOYSA-N -1 0 330.428 3.651 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000325357083 971207701 /nfs/dbraw/zinc/20/77/01/971207701.db2.gz MAIBBIWFNAFERH-JTQLQIEISA-N -1 0 342.342 3.860 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000325357085 971208402 /nfs/dbraw/zinc/20/84/02/971208402.db2.gz MAIBBIWFNAFERH-SNVBAGLBSA-N -1 0 342.342 3.860 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)c1 ZINC000325376255 971210332 /nfs/dbraw/zinc/21/03/32/971210332.db2.gz RAVMAWIMTYVEJG-SWLSCSKDSA-N -1 0 336.432 3.875 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000325509342 971222438 /nfs/dbraw/zinc/22/24/38/971222438.db2.gz NQMBOBOZEGFADB-GFCCVEGCSA-N -1 0 344.333 3.510 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(Cc1cccc(C(F)(F)F)c1)CC2 ZINC000325764965 971241745 /nfs/dbraw/zinc/24/17/45/971241745.db2.gz HKLOOXZCJWKOJH-UHFFFAOYSA-N -1 0 335.325 3.962 20 0 EHADRM CC(C)CCC[C@@H](C)NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000325770402 971241856 /nfs/dbraw/zinc/24/18/56/971241856.db2.gz UCJFDNUKPSACNG-PBHICJAKSA-N -1 0 332.444 3.595 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000325811664 971245106 /nfs/dbraw/zinc/24/51/06/971245106.db2.gz PUVWGKDMRIVKDM-KRWDZBQOSA-N -1 0 343.810 3.944 20 0 EHADRM CN(C(=O)c1cc(Cl)nc2ccccc21)c1ccccc1C(=O)[O-] ZINC000326196729 971274449 /nfs/dbraw/zinc/27/44/49/971274449.db2.gz MXFIPOMWTZMIDQ-UHFFFAOYSA-N -1 0 340.766 3.863 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1CC[C@@H]3CCCC[C@@H]3C1)C2 ZINC000326336765 971284121 /nfs/dbraw/zinc/28/41/21/971284121.db2.gz JFRJDEWKHVTSTE-RRFJBIMHSA-N -1 0 327.424 3.834 20 0 EHADRM CCc1ccc(NC(=O)c2ccc(OC(F)F)cc2)c(C(=O)[O-])c1 ZINC000326615290 971309615 /nfs/dbraw/zinc/30/96/15/971309615.db2.gz PSFIMWUEXNXQDH-UHFFFAOYSA-N -1 0 335.306 3.801 20 0 EHADRM CCc1cccc(CC)c1NC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000326701219 971318190 /nfs/dbraw/zinc/31/81/90/971318190.db2.gz VAQCFPNBIIHCDY-UHFFFAOYSA-N -1 0 340.423 3.874 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OCc1cnc2ccccc2c1 ZINC000326909015 971343390 /nfs/dbraw/zinc/34/33/90/971343390.db2.gz LVUKJVWVZFXYEC-CLFYSBASSA-N -1 0 335.359 3.920 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)NCc2cccc3ccccc32)C1 ZINC000327329250 971388680 /nfs/dbraw/zinc/38/86/80/971388680.db2.gz CDLDPZPHRZBICA-HNNXBMFYSA-N -1 0 340.423 3.626 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1ccc(F)c2ccccc12 ZINC000327497318 971403325 /nfs/dbraw/zinc/40/33/25/971403325.db2.gz AFPQJGCBNUDWMJ-UHFFFAOYSA-N -1 0 335.334 3.880 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)[C@H]1CCc2ccccc2C1)c1ccccc1 ZINC000328034433 971442837 /nfs/dbraw/zinc/44/28/37/971442837.db2.gz LLHLGCTXNOSLQC-RBUKOAKNSA-N -1 0 337.419 3.514 20 0 EHADRM CCc1ccc(NC(=O)CCOc2ccc(C)c(C)c2)c(C(=O)[O-])c1 ZINC000328070037 971444985 /nfs/dbraw/zinc/44/49/85/971444985.db2.gz VUCVMTYHDBQIAA-UHFFFAOYSA-N -1 0 341.407 3.972 20 0 EHADRM COc1cc(OCc2ccc(C(=O)[O-])cc2)ccc1Br ZINC000011863002 948773406 /nfs/dbraw/zinc/77/34/06/948773406.db2.gz KFBHRNZGAZVEGM-UHFFFAOYSA-N -1 0 337.169 3.735 20 0 EHADRM Cc1cc(OCC(=O)NCc2ccc(C(=O)[O-])cc2)ccc1C(C)C ZINC000013092190 948776288 /nfs/dbraw/zinc/77/62/88/948776288.db2.gz FOAQNTDWNMQUHH-UHFFFAOYSA-N -1 0 341.407 3.512 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001589561286 948813407 /nfs/dbraw/zinc/81/34/07/948813407.db2.gz QAYASMYKKFNXPJ-DYESRHJHSA-N -1 0 339.435 3.680 20 0 EHADRM CCC(F)(F)c1ccccc1NC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001589562349 948830850 /nfs/dbraw/zinc/83/08/50/948830850.db2.gz UQFLEHFCVCRXIA-NSHDSACASA-N -1 0 326.343 3.517 20 0 EHADRM CC[C@@H](NC(=O)Nc1cccnc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001589565588 948861632 /nfs/dbraw/zinc/86/16/32/948861632.db2.gz GUPBSFFVCKPOEQ-GFCCVEGCSA-N -1 0 333.775 3.706 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)C(=O)CCCSc1ccc(Cl)cc1 ZINC000044615056 948899812 /nfs/dbraw/zinc/89/98/12/948899812.db2.gz ZUHAJASUXQRNRK-CYBMUJFWSA-N -1 0 329.849 3.534 20 0 EHADRM CC(C)CCN(CCC(C)C)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000345773210 971520078 /nfs/dbraw/zinc/52/00/78/971520078.db2.gz HRBQARWWJHYZBU-UHFFFAOYSA-N -1 0 335.444 3.684 20 0 EHADRM CCCC[C@@H](NC(=O)[C@@H](c1cccc(Cl)c1)C(C)C)C(=O)[O-] ZINC000347256850 971522125 /nfs/dbraw/zinc/52/21/25/971522125.db2.gz GWIOQHHASSXRGR-HUUCEWRRSA-N -1 0 325.836 3.839 20 0 EHADRM CCCC[C@@H](NC(=O)c1ccccc1Nc1ccccc1)C(=O)[O-] ZINC000347268664 971522816 /nfs/dbraw/zinc/52/28/16/971522816.db2.gz ZGIKVXPDSYLHMD-QGZVFWFLSA-N -1 0 326.396 3.803 20 0 EHADRM CCCC[C@@H](NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000347264220 971523070 /nfs/dbraw/zinc/52/30/70/971523070.db2.gz RKOHNYGELVPJSZ-BXUZGUMPSA-N -1 0 345.361 3.959 20 0 EHADRM CC(C)[C@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)s1)C(=O)[O-] ZINC000349562044 971527804 /nfs/dbraw/zinc/52/78/04/971527804.db2.gz KSTHYLSNULLFPS-AWEZNQCLSA-N -1 0 337.828 3.908 20 0 EHADRM C[C@H](CC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1)c1ccccc1 ZINC000362515095 971534931 /nfs/dbraw/zinc/53/49/31/971534931.db2.gz DBRGYQBAFYLUKA-CQSZACIVSA-N -1 0 345.826 3.947 20 0 EHADRM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCC1(C(=O)[O-])CCC1 ZINC001589585781 949047174 /nfs/dbraw/zinc/04/71/74/949047174.db2.gz MGJITZKHHQYLFA-SJORKVTESA-N -1 0 344.455 3.609 20 0 EHADRM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001589586891 949060851 /nfs/dbraw/zinc/06/08/51/949060851.db2.gz ZEYQKKWAUJUPGR-JJEJIETFSA-N -1 0 343.379 3.609 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C2(c3ccccc3C)CCC2)C1 ZINC001589589946 949076213 /nfs/dbraw/zinc/07/62/13/949076213.db2.gz GIAMXUOOZPALBR-IBGZPJMESA-N -1 0 329.440 3.520 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)NCC2CCC(C(C)C)CC2)C1 ZINC001589594558 949127209 /nfs/dbraw/zinc/12/72/09/949127209.db2.gz OWNSHKGCMRBQBV-LADRWXRNSA-N -1 0 338.492 3.735 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2cccc3c(C)nccc23)C1 ZINC001589597523 949171779 /nfs/dbraw/zinc/17/17/79/949171779.db2.gz FLLQGOVIBGMIJG-LJQANCHMSA-N -1 0 341.411 3.652 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@H]2CCCc3ccc(C)cc32)C1 ZINC001589598201 949181033 /nfs/dbraw/zinc/18/10/33/949181033.db2.gz PZXZHZAVMQWZNQ-FXAWDEMLSA-N -1 0 344.455 3.659 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)N1CCC[C@@]1(C)Cc1ccc(C(C)(C)C)cc1 ZINC001602796752 971562468 /nfs/dbraw/zinc/56/24/68/971562468.db2.gz FOINZFNOEFMESZ-VLIAUNLRSA-N -1 0 331.456 3.628 20 0 EHADRM CC[C@@]1(C)Oc2ccc(NC(=O)/C=C\c3ccc(C(=O)[O-])o3)cc2O1 ZINC001589611062 949322656 /nfs/dbraw/zinc/32/26/56/949322656.db2.gz UVHCNEKQZNMUMV-KKMIYCERSA-N -1 0 343.335 3.527 20 0 EHADRM CCC1(CC)CCCN1C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001589612130 949328954 /nfs/dbraw/zinc/32/89/54/949328954.db2.gz GDVFSMYCPAZYTO-JKSUJKDBSA-N -1 0 330.428 3.664 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C(F)(F)c2cc(F)cc(F)c2)c(F)c1 ZINC001595236430 949413188 /nfs/dbraw/zinc/41/31/88/949413188.db2.gz USMKWOLRDHQCIV-UHFFFAOYSA-N -1 0 345.223 3.533 20 0 EHADRM CC[C@H]1CCc2c(sc(NC(=O)[C@H](C)SC)c2C(=O)[O-])C1 ZINC001589622665 949437242 /nfs/dbraw/zinc/43/72/42/949437242.db2.gz LLXJTARORFGXLM-IUCAKERBSA-N -1 0 327.471 3.651 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)c1ocnc1-c1ccccc1 ZINC001595239507 949442910 /nfs/dbraw/zinc/44/29/10/949442910.db2.gz ZLYLAWODYYEUCP-UHFFFAOYSA-N -1 0 348.358 3.633 20 0 EHADRM CC[C@H]1CCCc2sc(NC(=O)[C@]3(C(=O)[O-])CC=CCC3)nc21 ZINC001589623762 949449061 /nfs/dbraw/zinc/44/90/61/949449061.db2.gz YTVIBMPHZMROTM-GTNSWQLSSA-N -1 0 334.441 3.723 20 0 EHADRM CC[C@@H]1CCc2c(sc(NC(=O)c3coc(C)n3)c2C(=O)[O-])C1 ZINC001589624920 949464102 /nfs/dbraw/zinc/46/41/02/949464102.db2.gz PQUDJLTZNXRLOQ-SECBINFHSA-N -1 0 334.397 3.510 20 0 EHADRM O=C([O-])c1cccc(CN2CCN(C3CC3)c3cc(F)ccc32)c1 ZINC001595242916 949483684 /nfs/dbraw/zinc/48/36/84/949483684.db2.gz APHULNSYBOBNIU-UHFFFAOYSA-N -1 0 326.371 3.513 20 0 EHADRM CCC[C@@H](C(=O)Nc1sc2c(c1C(=O)[O-])COCC2)C(C)C ZINC001589630700 949531785 /nfs/dbraw/zinc/53/17/85/949531785.db2.gz LBGAHNJNHAERFN-SNVBAGLBSA-N -1 0 325.430 3.530 20 0 EHADRM CCCCC1CCC(CNC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)CC1 ZINC001589639760 949670635 /nfs/dbraw/zinc/67/06/35/949670635.db2.gz KNWLAZYKRPYEBL-RDHHWEPZSA-N -1 0 338.492 3.735 20 0 EHADRM CCCCCCOCc1cccc(NC(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC001589645589 949727905 /nfs/dbraw/zinc/72/79/05/949727905.db2.gz ILEJPMSCCSQEKX-INIZCTEOSA-N -1 0 348.443 3.722 20 0 EHADRM CCCCCCOCC(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21 ZINC001589645935 949735602 /nfs/dbraw/zinc/73/56/02/949735602.db2.gz XZOFJDPRLNJLTQ-MRXNPFEDSA-N -1 0 347.455 3.654 20 0 EHADRM CC1(C(=O)[O-])CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000232845246 949789255 /nfs/dbraw/zinc/78/92/55/949789255.db2.gz SZFZKKKCRLWUMU-UHFFFAOYSA-N -1 0 333.171 3.593 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)/C=C\c2cc(Cl)cc(Cl)c2)C1 ZINC000379176625 971609066 /nfs/dbraw/zinc/60/90/66/971609066.db2.gz FNATXHFSLAKNPL-JNVUCASBSA-N -1 0 342.222 3.766 20 0 EHADRM Cc1csc(C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)c1 ZINC000379185862 971610704 /nfs/dbraw/zinc/61/07/04/971610704.db2.gz HLLHHKIXIIBNJT-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM O=C([O-])c1cncc(NC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)c1 ZINC001595271190 949827887 /nfs/dbraw/zinc/82/78/87/949827887.db2.gz MVZIKBZPXLGTCQ-ZWKOTPCHSA-N -1 0 332.359 3.675 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC001589662874 949878815 /nfs/dbraw/zinc/87/88/15/949878815.db2.gz YSSUXIMOWJVPTP-UHFFFAOYSA-N -1 0 344.238 3.738 20 0 EHADRM CC(C)C[C@@H](NC(=O)C(C)(C)Cc1cccc(Cl)c1)C(=O)[O-] ZINC000236758502 949935482 /nfs/dbraw/zinc/93/54/82/949935482.db2.gz VMHAMZACNKBBOM-CQSZACIVSA-N -1 0 325.836 3.524 20 0 EHADRM CCCN(Cc1ccc(F)cc1F)C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001589674432 949977472 /nfs/dbraw/zinc/97/74/72/949977472.db2.gz VXORYJKGEMODCG-AATRIKPKSA-N -1 0 349.333 3.708 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000237936629 949981200 /nfs/dbraw/zinc/98/12/00/949981200.db2.gz CQBJNYRUCGCPFC-ZDUSSCGKSA-N -1 0 347.308 3.704 20 0 EHADRM CCCN(CCC)c1ccc(NC(=O)c2ccc(C(=O)[O-])cn2)cc1 ZINC001589680341 950044246 /nfs/dbraw/zinc/04/42/46/950044246.db2.gz VOJIXYCUESCLLZ-UHFFFAOYSA-N -1 0 341.411 3.659 20 0 EHADRM CC(C)COc1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000261634578 950046571 /nfs/dbraw/zinc/04/65/71/950046571.db2.gz HQZXWZNLJZXIPE-MRXNPFEDSA-N -1 0 333.428 3.581 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)CCCOc2ccccc2)c1 ZINC000261678019 950047773 /nfs/dbraw/zinc/04/77/73/950047773.db2.gz MNEAEPYYINBXOQ-UHFFFAOYSA-N -1 0 327.380 3.502 20 0 EHADRM CCCn1c(C(=O)NC2(C(=O)[O-])CCCCC2)cc2ccccc21 ZINC001589694357 950150059 /nfs/dbraw/zinc/15/00/59/950150059.db2.gz GOLHYPAKUJIESN-UHFFFAOYSA-N -1 0 328.412 3.569 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000263033908 950224651 /nfs/dbraw/zinc/22/46/51/950224651.db2.gz BOTDLLGORFXHIK-DTWKUNHWSA-N -1 0 331.199 3.568 20 0 EHADRM Cc1c(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cccc1C(F)(F)F ZINC000263076928 950247147 /nfs/dbraw/zinc/24/71/47/950247147.db2.gz HHJKWHGINMTZKF-GXSJLCMTSA-N -1 0 344.333 3.588 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263094452 950259684 /nfs/dbraw/zinc/25/96/84/950259684.db2.gz AOMLQTGUSZJLIX-GXSJLCMTSA-N -1 0 335.787 3.577 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)N(C)C[C@@H](C)C(=O)[O-])CCC2 ZINC000263277170 950346649 /nfs/dbraw/zinc/34/66/49/950346649.db2.gz SMWHKFBIKHFFPK-DYVFJYSZSA-N -1 0 332.444 3.550 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)CSc2ccc3ccccc3c2)C1 ZINC000263341039 950384230 /nfs/dbraw/zinc/38/42/30/950384230.db2.gz NMICNUAKIFSUOV-XJKSGUPXSA-N -1 0 343.448 3.501 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCC[C@]1(C)C(=O)[O-] ZINC000263432750 950461135 /nfs/dbraw/zinc/46/11/35/950461135.db2.gz KZVZZWNPHCLLJK-MGPLVRAMSA-N -1 0 344.238 3.638 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NCC1(c2ccc(F)cc2)CCCC1 ZINC001602852104 971688612 /nfs/dbraw/zinc/68/86/12/971688612.db2.gz HVGLTZMBUOGIOB-OAHLLOKOSA-N -1 0 335.419 3.501 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1nc2cc(Cl)ccc2s1 ZINC001602853034 971695869 /nfs/dbraw/zinc/69/58/69/971695869.db2.gz JJLXMRLFOZPWEI-SNVBAGLBSA-N -1 0 326.805 3.635 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)Nc2ncccc2-c2ccccc2)co1 ZINC001594971588 950862478 /nfs/dbraw/zinc/86/24/78/950862478.db2.gz PQLOVZXSHJGENJ-HJWRWDBZSA-N -1 0 334.331 3.692 20 0 EHADRM O=C([O-])c1cccc(COc2cc(F)c([N+](=O)[O-])cc2Cl)c1 ZINC000319104452 950948972 /nfs/dbraw/zinc/94/89/72/950948972.db2.gz FQMUCRRUNGJGHW-UHFFFAOYSA-N -1 0 325.679 3.665 20 0 EHADRM Cc1cc(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])c(Cl)cc1F ZINC000319681870 950966071 /nfs/dbraw/zinc/96/60/71/950966071.db2.gz RLMJCWTUZQSMFK-SNVBAGLBSA-N -1 0 330.787 3.656 20 0 EHADRM CCOC(=O)CN(Cc1cccc(C(=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC001590648498 950966342 /nfs/dbraw/zinc/96/63/42/950966342.db2.gz QQTNDMGLBDHZAZ-HNNXBMFYSA-N -1 0 341.407 3.511 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)N[C@@H]1CCCc2sccc21 ZINC000320831291 951002509 /nfs/dbraw/zinc/00/25/09/951002509.db2.gz ZPNSEUKRUVBWTB-TZMCWYRMSA-N -1 0 336.457 3.554 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)[C@@H](c1ccncc1)C1CCCCC1 ZINC001594984539 951010627 /nfs/dbraw/zinc/01/06/27/951010627.db2.gz HMEOJZUJQCYDPZ-PKOBYXMFSA-N -1 0 344.455 3.601 20 0 EHADRM CC(C)C[C@H](CNC(=O)N(C)C1CCC(C)(C)CC1)CC(=O)[O-] ZINC000321160462 951013249 /nfs/dbraw/zinc/01/32/49/951013249.db2.gz NKXIUKOOZNIACS-AWEZNQCLSA-N -1 0 326.481 3.734 20 0 EHADRM COc1ccc(C)cc1NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000325362442 951083142 /nfs/dbraw/zinc/08/31/42/951083142.db2.gz HWSJXAXPTYSPMZ-UHFFFAOYSA-N -1 0 328.368 3.665 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2cc3ccccc3s2)Cc2ccccc21 ZINC000325600521 951089146 /nfs/dbraw/zinc/08/91/46/951089146.db2.gz RIBOPAKBOGWEBN-OAHLLOKOSA-N -1 0 337.400 3.726 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)Cc2cccc3ccccc32)Cc2ccccc21 ZINC000347354479 951133653 /nfs/dbraw/zinc/13/36/53/951133653.db2.gz AGGAXBKFOCQKHK-HXUWFJFHSA-N -1 0 345.398 3.593 20 0 EHADRM Cc1[nH]c2c(cccc2C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)c1C ZINC000347340164 951133866 /nfs/dbraw/zinc/13/38/66/951133866.db2.gz FFIYFEDLVZFMGI-GOSISDBHSA-N -1 0 348.402 3.609 20 0 EHADRM CC(C)n1ccc(CN2CCC(c3ccccc3C(=O)[O-])CC2)n1 ZINC000363866303 951137107 /nfs/dbraw/zinc/13/71/07/951137107.db2.gz PNXJKIDHPQWLST-UHFFFAOYSA-N -1 0 327.428 3.542 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)c1cccc2cc(O)ccc21)C(=O)[O-] ZINC001602861263 971719774 /nfs/dbraw/zinc/71/97/74/971719774.db2.gz PAHNYDBRVQRSOS-MRXNPFEDSA-N -1 0 329.396 3.555 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001602861397 971720299 /nfs/dbraw/zinc/72/02/99/971720299.db2.gz VVYZFSOLOIIAAQ-ZDUSSCGKSA-N -1 0 345.361 3.644 20 0 EHADRM CCO[C@H](CCNC(=O)C1(C(=O)[O-])CCCCCC1)C1CCCC1 ZINC001591703376 951162173 /nfs/dbraw/zinc/16/21/73/951162173.db2.gz KUESXIRWAXBQEZ-MRXNPFEDSA-N -1 0 339.476 3.513 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)Nc2cccc(C(F)F)c2)C1 ZINC000386266089 951295508 /nfs/dbraw/zinc/29/55/08/951295508.db2.gz XIOQZUVTHMSBQS-NSHDSACASA-N -1 0 326.343 3.733 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)CCSc2ccccc2Cl)c1 ZINC000387076796 951311373 /nfs/dbraw/zinc/31/13/73/951311373.db2.gz OMFYHONDVWEHFA-UHFFFAOYSA-N -1 0 336.800 3.554 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cccc(OC(F)F)c2)c2ccccc21 ZINC000392695110 951425142 /nfs/dbraw/zinc/42/51/42/951425142.db2.gz MLRBXMJUVRTCBJ-CQSZACIVSA-N -1 0 347.317 3.507 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1cc(Cl)ccc1Cl ZINC000397090418 951520362 /nfs/dbraw/zinc/52/03/62/951520362.db2.gz VGZPBRIRITXMED-RKDXNWHRSA-N -1 0 331.199 3.710 20 0 EHADRM O=C([O-])CCc1cccc(NCc2ncsc2Br)c1 ZINC001595066180 951548234 /nfs/dbraw/zinc/54/82/34/951548234.db2.gz BKWSEJFGGSEGNI-UHFFFAOYSA-N -1 0 341.230 3.535 20 0 EHADRM O=C([O-])CN(CC1CC1)C(=O)c1sc2cccc(F)c2c1Cl ZINC001595072357 951605816 /nfs/dbraw/zinc/60/58/16/951605816.db2.gz PRJMIQYHWUYIPB-UHFFFAOYSA-N -1 0 341.791 3.631 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1ccccc1NCC1CCCCC1 ZINC001595180747 952251165 /nfs/dbraw/zinc/25/11/65/952251165.db2.gz WISIEGFQKZKYSS-HUUCEWRRSA-N -1 0 330.428 3.728 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccc(NC(=O)C2(CC(=O)[O-])CCC2)cc1 ZINC001602911827 971861291 /nfs/dbraw/zinc/86/12/91/971861291.db2.gz GWMPKCKWTWICEF-UHFFFAOYSA-N -1 0 348.399 3.617 20 0 EHADRM CC(C)(CCNC(=O)N[C@@H]1CCc2cccc3cccc1c32)C(=O)[O-] ZINC001602940603 971909209 /nfs/dbraw/zinc/90/92/09/971909209.db2.gz IFRURPXNHTUMMT-MRXNPFEDSA-N -1 0 340.423 3.627 20 0 EHADRM CCSCc1cccc(NC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC001593597348 953380987 /nfs/dbraw/zinc/38/09/87/953380987.db2.gz KJNBRVYEWQVVKD-GXTWGEPZSA-N -1 0 336.457 3.657 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CC[C@@H](c3c(F)cccc3F)C2)c1 ZINC000414435007 953395343 /nfs/dbraw/zinc/39/53/43/953395343.db2.gz APYFTWRLEBWGCW-GFCCVEGCSA-N -1 0 345.345 3.601 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)NCCCCCC(=O)[O-] ZINC000414613459 953399772 /nfs/dbraw/zinc/39/97/72/953399772.db2.gz NMFAJOGFQRNQQI-CQSZACIVSA-N -1 0 336.432 3.546 20 0 EHADRM Cc1cc([C@H](NC(=O)NCCCCCC(=O)[O-])C2CC2)ccc1F ZINC000414637178 953405295 /nfs/dbraw/zinc/40/52/95/953405295.db2.gz FLWJTQUGDOUFCM-QGZVFWFLSA-N -1 0 336.407 3.529 20 0 EHADRM CC1CC(C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)(c2cccc(Cl)c2)C1 ZINC001589269596 953405176 /nfs/dbraw/zinc/40/51/76/953405176.db2.gz XGSHDYUWUYVAJM-QWHDWNGZSA-N -1 0 349.858 3.577 20 0 EHADRM CC[C@@H](NC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccc(F)cc1 ZINC001593603008 953415127 /nfs/dbraw/zinc/41/51/27/953415127.db2.gz OVLMYPOIURJGLM-CZUORRHYSA-N -1 0 336.407 3.563 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccccc2COC(C)(C)C)C1 ZINC001589272080 953418916 /nfs/dbraw/zinc/41/89/16/953418916.db2.gz KBRAJHKEOJZQGK-ZFWWWQNUSA-N -1 0 348.443 3.576 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)NCCC(C)(C)C(=O)[O-])cc1 ZINC000424381599 953453061 /nfs/dbraw/zinc/45/30/61/953453061.db2.gz MTJBXEUWGGARLQ-UHFFFAOYSA-N -1 0 334.416 3.538 20 0 EHADRM C[C@H]1CC[C@H](c2ccccc2)N(C(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC000424398570 953463584 /nfs/dbraw/zinc/46/35/84/953463584.db2.gz ANZQYTIFXVNAFT-GOEBONIOSA-N -1 0 332.444 3.670 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)NCCCC2CCCC2)c2ccccc21 ZINC001594757224 953473704 /nfs/dbraw/zinc/47/37/04/953473704.db2.gz NXYWWBCFSQQTMX-DLBZAZTESA-N -1 0 330.428 3.569 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3)c2)C1 ZINC000431804283 953503117 /nfs/dbraw/zinc/50/31/17/953503117.db2.gz ICZXSJCANFBTGW-CYBMUJFWSA-N -1 0 345.782 3.679 20 0 EHADRM O=C([O-])[C@H]1CCN(Cc2cccnc2C(F)(F)F)c2ccccc21 ZINC000530166249 953556783 /nfs/dbraw/zinc/55/67/83/953556783.db2.gz NOQRSBWPOJYFRQ-ZDUSSCGKSA-N -1 0 336.313 3.679 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1 ZINC000532555279 953562569 /nfs/dbraw/zinc/56/25/69/953562569.db2.gz ZESZLXMFVWVRLK-HIFRSBDPSA-N -1 0 349.308 3.690 20 0 EHADRM C[C@@H]1C[C@H](CCNC(=O)C2(C(=O)[O-])CCSCC2)CC(C)(C)C1 ZINC001589285878 953570449 /nfs/dbraw/zinc/57/04/49/953570449.db2.gz IQAZMPKJAHVXRK-KGLIPLIRSA-N -1 0 341.517 3.553 20 0 EHADRM O=C([O-])c1ccc(COc2ccccc2C(=O)N2CCCCC2)cc1 ZINC000551750551 953582448 /nfs/dbraw/zinc/58/24/48/953582448.db2.gz SJXPFGNCBYBIBK-UHFFFAOYSA-N -1 0 339.391 3.590 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000563144736 953597098 /nfs/dbraw/zinc/59/70/98/953597098.db2.gz YKOUVBBGCTVZHZ-PBHICJAKSA-N -1 0 339.391 3.662 20 0 EHADRM C[C@H]1CCN(c2nc3cc(Cl)cc(Cl)c3o2)C[C@H]1C(=O)[O-] ZINC000567866595 953636766 /nfs/dbraw/zinc/63/67/66/953636766.db2.gz ZNKAFGPASONPEJ-IONNQARKSA-N -1 0 329.183 3.682 20 0 EHADRM CCCn1ccc2cc(NC(=O)N3CC[C@H](C)[C@@H](C(=O)[O-])C3)ccc21 ZINC000570802782 953658309 /nfs/dbraw/zinc/65/83/09/953658309.db2.gz BDQPEHTYFGZPPZ-BBRMVZONSA-N -1 0 343.427 3.626 20 0 EHADRM CCc1nc(C(C)C)ccc1COC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001593649132 953698956 /nfs/dbraw/zinc/69/89/56/953698956.db2.gz UPLVQKBICJTGAO-IBGZPJMESA-N -1 0 331.412 3.622 20 0 EHADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1cccc(Oc2ccc(Cl)cc2)c1 ZINC001594795258 953711785 /nfs/dbraw/zinc/71/17/85/953711785.db2.gz XYYFYBDXFHBHNM-XBXGTLAGSA-N -1 0 345.782 3.725 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1cccc2c1OC(C)(C)C=C2 ZINC001589305388 953733259 /nfs/dbraw/zinc/73/32/59/953733259.db2.gz POVLSUHUAQFUME-JSGCOSHPSA-N -1 0 344.411 3.588 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594461580 953763236 /nfs/dbraw/zinc/76/32/36/953763236.db2.gz IDPBZQKXACNJRY-LQKXBSAESA-N -1 0 349.496 3.560 20 0 EHADRM O=C(Nc1ccc(Oc2cccc(F)c2)cc1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001594806657 953786542 /nfs/dbraw/zinc/78/65/42/953786542.db2.gz JHUBTXPVALXHMA-VDISTLRHSA-N -1 0 344.342 3.603 20 0 EHADRM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)C1(C(=O)[O-])CCCCCC1 ZINC001589310540 953788783 /nfs/dbraw/zinc/78/87/83/953788783.db2.gz QXMZFWPFMAFLFS-RYUDHWBXSA-N -1 0 335.366 3.601 20 0 EHADRM CCCCCOc1ccc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])cc1 ZINC000621619641 953793931 /nfs/dbraw/zinc/79/39/31/953793931.db2.gz WZXUGBSXCJXRBF-MRXNPFEDSA-N -1 0 333.428 3.725 20 0 EHADRM C[C@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)c1cc2ccccc2s1 ZINC000626761407 953813142 /nfs/dbraw/zinc/81/31/42/953813142.db2.gz WEKUYQTUKUCASX-OBJOEFQTSA-N -1 0 346.452 3.715 20 0 EHADRM C[C@@H]1CCC[C@H](CNC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)[C@@H]1C ZINC001589315894 953836726 /nfs/dbraw/zinc/83/67/26/953836726.db2.gz SHFUVDSUCFQPJC-YWBVBXMBSA-N -1 0 344.455 3.671 20 0 EHADRM C[C@@H]1CCC[C@H](CNC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)[C@H]1C ZINC001589315889 953836958 /nfs/dbraw/zinc/83/69/58/953836958.db2.gz SHFUVDSUCFQPJC-KGZKIYMESA-N -1 0 344.455 3.671 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000630136245 953839929 /nfs/dbraw/zinc/83/99/29/953839929.db2.gz YBFLNIVLKNHSNA-AWEZNQCLSA-N -1 0 327.380 3.580 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])cn1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000630294853 953851184 /nfs/dbraw/zinc/85/11/84/953851184.db2.gz ONSLMAYETXBZGC-FUHWJXTLSA-N -1 0 338.407 3.578 20 0 EHADRM CC(C)CC[C@H](NC(=O)N1CCC(C)(C(=O)[O-])CC1)C(C)(C)C ZINC000646149741 953929697 /nfs/dbraw/zinc/92/96/97/953929697.db2.gz HPBQQLZZEBWLHV-AWEZNQCLSA-N -1 0 326.481 3.734 20 0 EHADRM Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)N(C)C(=O)[C@H](C)C(=O)[O-] ZINC000647143644 953951994 /nfs/dbraw/zinc/95/19/94/953951994.db2.gz QBOKQJQYNYKYNE-AAEUAGOBSA-N -1 0 346.452 3.667 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)Nc2ccccc2CC(F)(F)F)CC1 ZINC000647697048 953966697 /nfs/dbraw/zinc/96/66/97/953966697.db2.gz MURHZXVFAKHWEP-UHFFFAOYSA-N -1 0 344.333 3.510 20 0 EHADRM CN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC001593682957 953973477 /nfs/dbraw/zinc/97/34/77/953973477.db2.gz PUWSZQFVYISCLG-MHORFTMASA-N -1 0 329.440 3.672 20 0 EHADRM C[C@@H]1CCN(C(=O)C2(c3cccc(F)c3)CCCCC2)C[C@@H]1C(=O)[O-] ZINC001589335144 953987210 /nfs/dbraw/zinc/98/72/10/953987210.db2.gz CPOFRLSXQHFDKH-PBHICJAKSA-N -1 0 347.430 3.597 20 0 EHADRM CCc1cccc(C)c1NC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000649536711 953998468 /nfs/dbraw/zinc/99/84/68/953998468.db2.gz CUFCNBMHBMKGFA-HXUWFJFHSA-N -1 0 340.423 3.721 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2ccc(-c3ccco3)cc2F)CCC1 ZINC000649543332 954004872 /nfs/dbraw/zinc/00/48/72/954004872.db2.gz IFSKFQXDSHNONP-UHFFFAOYSA-N -1 0 332.331 3.605 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1cc(Cl)ccc1OCC1CCC1)C1CC1 ZINC001594835311 954021293 /nfs/dbraw/zinc/02/12/93/954021293.db2.gz DOOLKRVLTGGFSW-OAHLLOKOSA-N -1 0 337.803 3.568 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC001602970894 971979867 /nfs/dbraw/zinc/97/98/67/971979867.db2.gz XZYVTNBSEPGTIJ-JTQLQIEISA-N -1 0 328.340 3.529 20 0 EHADRM Cc1oc(-c2ccccc2)nc1C(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC000652084907 954039994 /nfs/dbraw/zinc/03/99/94/954039994.db2.gz JSZBKPUXTSTKID-AWEZNQCLSA-N -1 0 344.411 3.517 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1ccc(N2CCCCCCC2)c(F)c1)C1CC1 ZINC001594837724 954042458 /nfs/dbraw/zinc/04/24/58/954042458.db2.gz OICBWTZXWIDEIY-QGZVFWFLSA-N -1 0 348.418 3.646 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@H](C)c1ccc(Cl)cc1)CC(=O)[O-] ZINC000652089918 954047952 /nfs/dbraw/zinc/04/79/52/954047952.db2.gz OWXODZYSXHYTOC-OLZOCXBDSA-N -1 0 325.836 3.697 20 0 EHADRM C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@H](C(C)(C)C)CC2)C[C@@H]1C(=O)[O-] ZINC001589345209 954053029 /nfs/dbraw/zinc/05/30/29/954053029.db2.gz PMQJHCNIDUATBS-QXSJWSMHSA-N -1 0 338.492 3.734 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(SC)c(Cl)cc1Cl ZINC000653341701 954175318 /nfs/dbraw/zinc/17/53/18/954175318.db2.gz KHGGMWQWAMRCJO-JTQLQIEISA-N -1 0 336.240 3.651 20 0 EHADRM CCOc1ccccc1-c1cccc(C(=O)N(C)[C@@H](CC)C(=O)[O-])c1 ZINC000653345015 954177713 /nfs/dbraw/zinc/17/77/13/954177713.db2.gz JOOFJYSFKLIOGT-KRWDZBQOSA-N -1 0 341.407 3.688 20 0 EHADRM Cc1csc(-c2ccc(NC(=O)NC[C@H](C(=O)[O-])C(C)C)cc2)n1 ZINC000653538143 954186995 /nfs/dbraw/zinc/18/69/95/954186995.db2.gz SSKXQDVVNLSITM-AWEZNQCLSA-N -1 0 347.440 3.597 20 0 EHADRM CCc1c(NC(=O)CCCCC(=O)[O-])cnn1-c1cccc(Cl)c1 ZINC000655543410 954196267 /nfs/dbraw/zinc/19/62/67/954196267.db2.gz HKNYOKLDMBXQKY-UHFFFAOYSA-N -1 0 349.818 3.672 20 0 EHADRM Cc1ccc(-c2ncc(C(=O)NC[C@@H](C(=O)[O-])C(C)C)s2)c(C)c1 ZINC000655567989 954205337 /nfs/dbraw/zinc/20/53/37/954205337.db2.gz BXNHFKFESAKQRI-CQSZACIVSA-N -1 0 346.452 3.514 20 0 EHADRM CC(C)[C@H](CNC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000655568708 954207592 /nfs/dbraw/zinc/20/75/92/954207592.db2.gz QSWZOXQFOLMWEE-FZMZJTMJSA-N -1 0 345.361 3.672 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1ccc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC000655571268 954208384 /nfs/dbraw/zinc/20/83/84/954208384.db2.gz RRZDWVBUNFABIG-GFCCVEGCSA-N -1 0 335.787 3.687 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)[C@@H](C(=O)[O-])C(C)C)c(F)c1 ZINC000655596859 954233452 /nfs/dbraw/zinc/23/34/52/954233452.db2.gz MGRSDZVWKNWEPU-HNNXBMFYSA-N -1 0 325.380 3.546 20 0 EHADRM CC(C)[C@H](CNC(=O)N1CC2(CCCC2)c2cccc(F)c21)C(=O)[O-] ZINC001602978703 971997947 /nfs/dbraw/zinc/99/79/47/971997947.db2.gz NXXHWHDVKXJMHE-ZDUSSCGKSA-N -1 0 348.418 3.524 20 0 EHADRM O=C([O-])C1(C(=O)N[C@@H]2CCSc3ccc(F)cc32)CCCCC1 ZINC001594857398 954252786 /nfs/dbraw/zinc/25/27/86/954252786.db2.gz YJBWYWUSBWGKRO-CYBMUJFWSA-N -1 0 337.416 3.514 20 0 EHADRM C[C@H](CNC(=O)N[C@@H](C)c1ccc(-c2ccc(F)cc2)cc1)C(=O)[O-] ZINC000655873598 954259712 /nfs/dbraw/zinc/25/97/12/954259712.db2.gz ILYJYPXWXIZVHY-OLZOCXBDSA-N -1 0 344.386 3.574 20 0 EHADRM C[C@@H](CNC(=O)N(Cc1ccccc1Cl)C1CCCC1)C(=O)[O-] ZINC000655886347 954268181 /nfs/dbraw/zinc/26/81/81/954268181.db2.gz XQXNOCCJEWJHMS-LBPRGKRZSA-N -1 0 338.835 3.515 20 0 EHADRM CCC[C@@H](CC1CCCC1)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659204004 954316457 /nfs/dbraw/zinc/31/64/57/954316457.db2.gz MEMVATHSDDPHKK-AWEZNQCLSA-N -1 0 335.448 3.638 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)[C@H](C)C2 ZINC000659403266 954328821 /nfs/dbraw/zinc/32/88/21/954328821.db2.gz IKDNUTMHZCACFI-KUHUBIRLSA-N -1 0 344.455 3.515 20 0 EHADRM CCN(Cc1ccc2ccccc2c1)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659421148 954346364 /nfs/dbraw/zinc/34/63/64/954346364.db2.gz DNZKUQQDLYFDAO-UHFFFAOYSA-N -1 0 340.423 3.626 20 0 EHADRM O=C([O-])[C@@]1(C(=O)OCc2cccc(C(F)(F)F)c2)CC=CCC1 ZINC001594877322 954387278 /nfs/dbraw/zinc/38/72/78/954387278.db2.gz WELOJSKQHJVTHN-OAHLLOKOSA-N -1 0 328.286 3.560 20 0 EHADRM O=C([O-])C1(C(=O)Oc2ccc(N3CCCC3)cc2)CCCCCC1 ZINC001594878820 954399633 /nfs/dbraw/zinc/39/96/33/954399633.db2.gz NPERTZPTEJWAIE-UHFFFAOYSA-N -1 0 331.412 3.617 20 0 EHADRM CCC1CCC(N(C(=O)c2ccc(OCC(=O)[O-])cc2)C2CC2)CC1 ZINC000663082220 954459906 /nfs/dbraw/zinc/45/99/06/954459906.db2.gz QXZHJPHHAYESFQ-UHFFFAOYSA-N -1 0 345.439 3.723 20 0 EHADRM C[C@H]1CN(c2nc3c(cc(Cl)cc3F)s2)CC[C@@H]1C(=O)[O-] ZINC001589406979 954469526 /nfs/dbraw/zinc/46/95/26/954469526.db2.gz NHSGZMFEWLWTGL-CBAPKCEASA-N -1 0 328.796 3.636 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000663101856 954487809 /nfs/dbraw/zinc/48/78/09/954487809.db2.gz LVSLTCAKTNIFSB-IBGZPJMESA-N -1 0 330.428 3.506 20 0 EHADRM C[C@@H]1Cc2ccccc2N1Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC001589413062 954534218 /nfs/dbraw/zinc/53/42/18/954534218.db2.gz ORKZHYGMJLSCNS-CQSZACIVSA-N -1 0 340.423 3.532 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000666523373 954549782 /nfs/dbraw/zinc/54/97/82/954549782.db2.gz YFGBHCGTVFYEIO-HZPDHXFCSA-N -1 0 346.471 3.639 20 0 EHADRM O=C([O-])CCCCNc1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC000668161615 954565663 /nfs/dbraw/zinc/56/56/63/954565663.db2.gz VKCWSVVNZTWKRT-UHFFFAOYSA-N -1 0 330.171 3.710 20 0 EHADRM Cc1ccc(-c2ncc(C(=O)N([C@@H](C)C(=O)[O-])C3CC3)s2)c(C)c1 ZINC000675982514 954581363 /nfs/dbraw/zinc/58/13/63/954581363.db2.gz MKYOEGSRYITJFZ-LBPRGKRZSA-N -1 0 344.436 3.505 20 0 EHADRM CC(C)[C@H]1CCc2nc(NC(=O)[C@]3(C(=O)[O-])CC=CCC3)sc2C1 ZINC001602999116 972035505 /nfs/dbraw/zinc/03/55/05/972035505.db2.gz CMNLCVDZTRURMI-SGTLLEGYSA-N -1 0 348.468 3.654 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C\C(=O)Nc1cccnc1C(=O)[O-] ZINC001589463502 954874213 /nfs/dbraw/zinc/87/42/13/954874213.db2.gz FBCXMCPSZFTCEQ-BSYHEUMXSA-N -1 0 340.379 3.609 20 0 EHADRM CC(C)C[C@@H](CNC(=O)CCSc1cccc(Cl)c1)C(=O)[O-] ZINC001603005154 972055827 /nfs/dbraw/zinc/05/58/27/972055827.db2.gz UHIUWJKWDQNBOQ-LBPRGKRZSA-N -1 0 343.876 3.685 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N[C@H](CCc1ccccc1)C(F)(F)F ZINC001589474206 954947398 /nfs/dbraw/zinc/94/73/98/954947398.db2.gz RVEAANIOHCYDRC-CYBMUJFWSA-N -1 0 345.361 3.557 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1cnc(Cl)c(C(F)(F)F)c1 ZINC001589480457 954970416 /nfs/dbraw/zinc/97/04/16/954970416.db2.gz XWMDLQNDRBCKPB-UHFFFAOYSA-N -1 0 338.713 3.583 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCc2cc(C(C)C)ccc2C1)C(=O)[O-] ZINC001603009089 972060239 /nfs/dbraw/zinc/06/02/39/972060239.db2.gz UCNFLJMUSPKAQW-GOSISDBHSA-N -1 0 346.471 3.625 20 0 EHADRM CCC(CC)(CNC(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1)C(=O)[O-] ZINC001589489603 955012790 /nfs/dbraw/zinc/01/27/90/955012790.db2.gz ZIXFDIYKPGIKSB-IAGOWNOFSA-N -1 0 346.471 3.588 20 0 EHADRM CCC(CC)(CNC(=O)N[C@H](C)c1cc(Cl)ccc1F)C(=O)[O-] ZINC001589497500 955018895 /nfs/dbraw/zinc/01/88/95/955018895.db2.gz AIMCFWPBMSBGAY-SNVBAGLBSA-N -1 0 344.814 3.730 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)Nc2cccc3ccsc32)c1 ZINC000386654133 972071493 /nfs/dbraw/zinc/07/14/93/972071493.db2.gz RAVUUPZLAVMAGZ-UHFFFAOYSA-N -1 0 326.377 3.921 20 0 EHADRM CC(C)C[C@@]1(C)CCCN1C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001603018416 972077433 /nfs/dbraw/zinc/07/74/33/972077433.db2.gz NYTGZAHJSJZZPG-UXHICEINSA-N -1 0 346.471 3.639 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCC[C@@H](CC(C)C)C1)CC(=O)[O-] ZINC001603018406 972077537 /nfs/dbraw/zinc/07/75/37/972077537.db2.gz NNSVFTCYTWUZHX-HOTGVXAUSA-N -1 0 326.481 3.591 20 0 EHADRM COc1ccc(Cl)c(NC(=O)CC2(CC(=O)[O-])CCCC2)c1 ZINC000386771270 972079228 /nfs/dbraw/zinc/07/92/28/972079228.db2.gz AMEMTFZOKJUJAF-UHFFFAOYSA-N -1 0 325.792 3.712 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc2c(c1)-c1ccccc1C2 ZINC000817872274 955375148 /nfs/dbraw/zinc/37/51/48/955375148.db2.gz OIBVKFCCDKGOLW-DYVFJYSZSA-N -1 0 335.403 3.583 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001589013864 955410645 /nfs/dbraw/zinc/41/06/45/955410645.db2.gz MZGKOORXDCZWLZ-KDOFPFPSSA-N -1 0 343.398 3.727 20 0 EHADRM CC1(C)CCC[C@@H]1CNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000387002704 972096515 /nfs/dbraw/zinc/09/65/15/972096515.db2.gz HZPOASGGHQNHPL-SECBINFHSA-N -1 0 326.343 3.611 20 0 EHADRM C[C@@H]1CN(C(=O)/C=C\c2ccc(C(C)(C)C)cc2)CC[C@@H]1C(=O)[O-] ZINC000823340613 955527860 /nfs/dbraw/zinc/52/78/60/955527860.db2.gz JXCDJQXVKMXDCY-PTRZUZADSA-N -1 0 329.440 3.567 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 ZINC000828153039 955536794 /nfs/dbraw/zinc/53/67/94/955536794.db2.gz DZAXUSPVYVZQRR-TZMCWYRMSA-N -1 0 347.308 3.572 20 0 EHADRM CC(C)C[C@H](CNC(=O)C[C@@H]1C[C@H]1Cc1ccccc1)CC(=O)[O-] ZINC001603042461 972105956 /nfs/dbraw/zinc/10/59/56/972105956.db2.gz PESQDMDHTHALPC-KSZLIROESA-N -1 0 331.456 3.509 20 0 EHADRM O=C([O-])CCCC(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000844243982 955656179 /nfs/dbraw/zinc/65/61/79/955656179.db2.gz NXRDWOLPYSMTKL-UHFFFAOYSA-N -1 0 338.816 3.581 20 0 EHADRM CC(C)n1c2ccccc2nc1[C@H]1CCCN1C(=O)CCCC(=O)[O-] ZINC000844251229 955668387 /nfs/dbraw/zinc/66/83/87/955668387.db2.gz FHPOBBQORALBEY-MRXNPFEDSA-N -1 0 343.427 3.536 20 0 EHADRM C[C@@](CNC(=O)Nc1ccccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001589056997 955706407 /nfs/dbraw/zinc/70/64/07/955706407.db2.gz LMYLBGRTTNRBSX-KRWDZBQOSA-N -1 0 332.787 3.504 20 0 EHADRM C[C@H](Cc1ccc(C(F)(F)F)cc1)c1nc([C@@H](C)C(=O)[O-])no1 ZINC001589079009 955837056 /nfs/dbraw/zinc/83/70/56/955837056.db2.gz HXMRBFNJLSYIKE-RKDXNWHRSA-N -1 0 328.290 3.623 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000852950071 955871540 /nfs/dbraw/zinc/87/15/40/955871540.db2.gz GHDQEIAQVCZSAR-CQSZACIVSA-N -1 0 338.835 3.626 20 0 EHADRM COc1cc2ccc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc2cc1OC ZINC000852957624 955887977 /nfs/dbraw/zinc/88/79/77/955887977.db2.gz ZCJHOSDXTHAXON-INIZCTEOSA-N -1 0 345.395 3.542 20 0 EHADRM C[C@H](Cc1nc([C@H](C)C(=O)[O-])no1)c1cccc(C(F)(F)F)c1 ZINC001589084185 955888606 /nfs/dbraw/zinc/88/86/06/955888606.db2.gz XQWJWWLPNVQKNM-BDAKNGLRSA-N -1 0 328.290 3.623 20 0 EHADRM CC(F)(F)c1cccc(NC(=O)c2cccc(OCC(=O)[O-])c2)c1 ZINC001589085480 955898148 /nfs/dbraw/zinc/89/81/48/955898148.db2.gz YMCATLLAPDVBPV-UHFFFAOYSA-N -1 0 335.306 3.514 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC001589088303 955917225 /nfs/dbraw/zinc/91/72/25/955917225.db2.gz PDYJFYKIUWABDD-JVXZTZIISA-N -1 0 336.190 3.667 20 0 EHADRM C[C@@H](NC(=O)C1(C(=O)[O-])CCCCC1)c1c(F)cccc1Cl ZINC001589089976 955925287 /nfs/dbraw/zinc/92/52/87/955925287.db2.gz MQHQMXUMUALMPO-SNVBAGLBSA-N -1 0 327.783 3.691 20 0 EHADRM Cc1ccccc1[C@H]1CCCN1C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000864103611 955932762 /nfs/dbraw/zinc/93/27/62/955932762.db2.gz NNFSITADBKWQBT-HGPCXVNDSA-N -1 0 325.364 3.663 20 0 EHADRM C[C@@H]1CN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)CC[C@@H]1c1ccccc1 ZINC000864113946 955941541 /nfs/dbraw/zinc/94/15/41/955941541.db2.gz YCWCTPDBUZEXDL-CEXVDSSSSA-N -1 0 339.391 3.643 20 0 EHADRM CC(C)C[C@@H](CNC(=O)/C=C\c1csc(C(F)(F)F)c1)C(=O)[O-] ZINC000864122994 955950500 /nfs/dbraw/zinc/95/05/00/955950500.db2.gz ZKGBSRDWMDJQCJ-BYCRGOAPSA-N -1 0 349.374 3.643 20 0 EHADRM CC(C)Oc1ccccc1[C@H](C)NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000864124707 955952138 /nfs/dbraw/zinc/95/21/38/955952138.db2.gz FZCNRVMKHCVRHI-FUWURINLSA-N -1 0 343.379 3.656 20 0 EHADRM COc1ccccc1-c1ccc(C(=O)NC[C@H](C(=O)[O-])C(C)C)s1 ZINC000868439096 956012644 /nfs/dbraw/zinc/01/26/44/956012644.db2.gz MAYZKXBIJAIEPC-ZDUSSCGKSA-N -1 0 347.436 3.510 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(F)c2ccccc21 ZINC001589114509 956083373 /nfs/dbraw/zinc/08/33/73/956083373.db2.gz QVZBWIFBVMODQL-RWMBFGLXSA-N -1 0 329.371 3.657 20 0 EHADRM C[C@](NC(=O)c1scnc1C1CCCC1)(C(=O)[O-])c1ccccc1 ZINC001589121759 956128139 /nfs/dbraw/zinc/12/81/39/956128139.db2.gz VICNSHLPJUUQLE-GOSISDBHSA-N -1 0 344.436 3.531 20 0 EHADRM Cc1cc([C@H](C)NC(=O)NCc2ccccc2C(=O)[O-])c(C)s1 ZINC000874387405 956133143 /nfs/dbraw/zinc/13/31/43/956133143.db2.gz WKVPEQDMKQNHBO-NSHDSACASA-N -1 0 332.425 3.624 20 0 EHADRM CC(C)Oc1ccc2ccccc2c1CNC(=O)[C@H](C(=O)[O-])C(C)C ZINC001603081783 972157602 /nfs/dbraw/zinc/15/76/02/972157602.db2.gz SBHMSVTZDNEUKG-GOSISDBHSA-N -1 0 343.423 3.600 20 0 EHADRM C[C@@H](NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])c1cccc2ccccc21 ZINC000899855871 956290788 /nfs/dbraw/zinc/29/07/88/956290788.db2.gz LJEXPLASJJKCOQ-UPJWGTAASA-N -1 0 331.437 3.612 20 0 EHADRM CC(C)c1ccc(C[C@H]2CCN(C(=O)[C@@]3(C(=O)[O-])CC3(C)C)C2)cc1 ZINC001603100387 972174812 /nfs/dbraw/zinc/17/48/12/972174812.db2.gz CUSYOWCRKGLBLB-IIBYNOLFSA-N -1 0 343.467 3.702 20 0 EHADRM C[C@@H](OC(=O)[C@@]1(C(=O)[O-])CC=CCC1)c1ccc(C(F)(F)F)cn1 ZINC001589159105 956391259 /nfs/dbraw/zinc/39/12/59/956391259.db2.gz QZBBMBZNTKGSEM-BMIGLBTASA-N -1 0 343.301 3.516 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000901660698 956410140 /nfs/dbraw/zinc/41/01/40/956410140.db2.gz JIWNFCQZIHBTLB-DTWKUNHWSA-N -1 0 349.736 3.542 20 0 EHADRM CC(C)c1nc([C@H]2CCCCN2Cc2ccc(C(=O)[O-])s2)no1 ZINC001603107275 972185650 /nfs/dbraw/zinc/18/56/50/972185650.db2.gz WVCYLFBGMITCEM-GFCCVEGCSA-N -1 0 335.429 3.680 20 0 EHADRM CSc1ccc(NC(=O)C2(C(=O)[O-])CCSCC2)cc1Cl ZINC000901747494 956451929 /nfs/dbraw/zinc/45/19/29/956451929.db2.gz HGAXRKNQNQEWHC-UHFFFAOYSA-N -1 0 345.873 3.598 20 0 EHADRM C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001589176732 956508961 /nfs/dbraw/zinc/50/89/61/956508961.db2.gz JFIIZAQPDZBTJL-BBRMVZONSA-N -1 0 339.395 3.580 20 0 EHADRM C[C@@H](c1ccccc1)N(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccccn1 ZINC001589176817 956510158 /nfs/dbraw/zinc/51/01/58/956510158.db2.gz LLHTTYWTPWZIFY-BHYGNILZSA-N -1 0 338.407 3.677 20 0 EHADRM C[C@H](c1ccccc1)N(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccccn1 ZINC001589176818 956510452 /nfs/dbraw/zinc/51/04/52/956510452.db2.gz LLHTTYWTPWZIFY-HYVNUMGLSA-N -1 0 338.407 3.677 20 0 EHADRM CSCCCCCCC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000902016876 956607583 /nfs/dbraw/zinc/60/75/83/956607583.db2.gz MWBWKRGWLPGHGM-JKSUJKDBSA-N -1 0 335.469 3.729 20 0 EHADRM O=C(/C=C\c1ccc(C(=O)[O-])o1)Oc1ccc(OC2CCC2)cc1 ZINC001594674704 956649663 /nfs/dbraw/zinc/64/96/63/956649663.db2.gz SHZUJTBTZDJBDY-LUAWRHEFSA-N -1 0 328.320 3.528 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)CCCc1c(F)cccc1F ZINC001594685496 956711028 /nfs/dbraw/zinc/71/10/28/956711028.db2.gz QRYHTUXMUYNOLP-UHFFFAOYSA-N -1 0 325.336 3.686 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCSc2cccc(Cl)c2)nc1 ZINC001594687977 956722780 /nfs/dbraw/zinc/72/27/80/956722780.db2.gz WDNOQHIZWUOOTO-UHFFFAOYSA-N -1 0 336.800 3.554 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1cccc(Br)c1Cl ZINC001589217434 956735360 /nfs/dbraw/zinc/73/53/60/956735360.db2.gz JIKZBNCFOZJBCK-CYBMUJFWSA-N -1 0 346.608 3.542 20 0 EHADRM CC1(C)CCC[C@@H]1CCNC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001589225886 956793241 /nfs/dbraw/zinc/79/32/41/956793241.db2.gz NKFGVFHKHVYXIG-WBVHZDCISA-N -1 0 344.455 3.596 20 0 EHADRM CC1(C)CCCC[C@H]1C(=O)Nc1sc2c(c1C(=O)[O-])COCC2 ZINC001589226093 956796439 /nfs/dbraw/zinc/79/64/39/956796439.db2.gz XQPRWLSVUKUTGS-NSHDSACASA-N -1 0 337.441 3.674 20 0 EHADRM O=C([O-])c1cccc(NC(=O)Cc2c[nH]c3cccc(Cl)c23)c1 ZINC001594705114 956834308 /nfs/dbraw/zinc/83/43/08/956834308.db2.gz BZPKCVLQGMMGPY-UHFFFAOYSA-N -1 0 328.755 3.701 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC001603127619 972220371 /nfs/dbraw/zinc/22/03/71/972220371.db2.gz OUHNQECSJMQCDO-VIFPVBQESA-N -1 0 341.285 3.558 20 0 EHADRM CCN(CC)C(=O)c1ccc(NCc2ccc(C(=O)[O-])s2)cc1 ZINC000903684498 956862943 /nfs/dbraw/zinc/86/29/43/956862943.db2.gz BHUOHHCGFKFBFX-UHFFFAOYSA-N -1 0 332.425 3.540 20 0 EHADRM C[C@H](c1ccc(C(=O)[O-])o1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000011861565 956895066 /nfs/dbraw/zinc/89/50/66/956895066.db2.gz DTLOTTCVWLSKIE-GFCCVEGCSA-N -1 0 334.803 3.514 20 0 EHADRM CCc1cccc(NC(=O)COc2ccc(C(=O)[O-])cc2Cl)c1 ZINC000013084958 956935418 /nfs/dbraw/zinc/93/54/18/956935418.db2.gz ZEEKOHRRMUKLNQ-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)CSc2ccc(F)cc2)c1 ZINC000013167877 956948058 /nfs/dbraw/zinc/94/80/58/956948058.db2.gz HLGUVOMTIVJXFO-UHFFFAOYSA-N -1 0 339.775 3.908 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000013170021 956953277 /nfs/dbraw/zinc/95/32/77/956953277.db2.gz LXLJXOBONBRIPS-UHFFFAOYSA-N -1 0 339.269 3.844 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1csc2c1CCCC2)c1ccc(F)cc1 ZINC000013177550 956958069 /nfs/dbraw/zinc/95/80/69/956958069.db2.gz AATKPPMNCDWNNI-OAHLLOKOSA-N -1 0 347.411 3.712 20 0 EHADRM CC(C)(C)c1ccc(OS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000013306011 957013220 /nfs/dbraw/zinc/01/32/20/957013220.db2.gz VSQYUCRBJPLLPK-UHFFFAOYSA-N -1 0 340.422 3.512 20 0 EHADRM O=C([O-])c1ccc2c(=O)[nH]c(CSc3ccccc3Cl)nc2c1 ZINC000013318108 957024100 /nfs/dbraw/zinc/02/41/00/957024100.db2.gz ROPSSDLCLGNIQF-UHFFFAOYSA-N -1 0 346.795 3.567 20 0 EHADRM C[C@H](C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)c1ccc2ccccc2c1 ZINC000909902026 957039765 /nfs/dbraw/zinc/03/97/65/957039765.db2.gz AWSPGPANBGOQDR-FASAQXTFSA-N -1 0 337.419 3.513 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)Cc1ccc(Cl)cc1 ZINC000013390404 957043708 /nfs/dbraw/zinc/04/37/08/957043708.db2.gz MLKXWQURMNKKAQ-UHFFFAOYSA-N -1 0 329.783 3.560 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)COc1ccc(F)cc1Cl ZINC000013391371 957048061 /nfs/dbraw/zinc/04/80/61/957048061.db2.gz JMUQKSFJUANAEO-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM COc1ccc(CCC(=O)Nc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000389656121 972237076 /nfs/dbraw/zinc/23/70/76/972237076.db2.gz AINBKGWZPHEOJK-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM O=C([O-])c1ccoc1CSc1nnc(Nc2ccccc2)s1 ZINC000013395257 957050594 /nfs/dbraw/zinc/05/05/94/957050594.db2.gz RXLULZAROBWQAS-UHFFFAOYSA-N -1 0 333.394 3.865 20 0 EHADRM O=C([O-])c1ccoc1CSc1nnc(NCc2ccccc2)s1 ZINC000013413027 957055336 /nfs/dbraw/zinc/05/53/36/957055336.db2.gz QUJUQAAQBOLCCR-UHFFFAOYSA-N -1 0 347.421 3.734 20 0 EHADRM CCOc1ccc(SCC(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC000013441472 957081878 /nfs/dbraw/zinc/08/18/78/957081878.db2.gz FGCRJMCKEGDKTH-UHFFFAOYSA-N -1 0 345.420 3.539 20 0 EHADRM CCCCOc1ccc(C(=O)NCCc2ccc(C(=O)[O-])cc2)cc1 ZINC000013443121 957082912 /nfs/dbraw/zinc/08/29/12/957082912.db2.gz TVRNHVYDHUXWEM-UHFFFAOYSA-N -1 0 341.407 3.536 20 0 EHADRM Cc1nc(Cl)c(Cl)cc1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000389770480 972245033 /nfs/dbraw/zinc/24/50/33/972245033.db2.gz CDTJPYAOLCESKX-UHFFFAOYSA-N -1 0 339.178 3.576 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC000033463612 957185011 /nfs/dbraw/zinc/18/50/11/957185011.db2.gz HZPZGZOHDSCWOS-SUMWQHHRSA-N -1 0 327.380 3.708 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCOc2cccc(Cl)c2)s1 ZINC000035425798 957209688 /nfs/dbraw/zinc/20/96/88/957209688.db2.gz CFYRBCSDDQDEKQ-UHFFFAOYSA-N -1 0 325.773 3.507 20 0 EHADRM CCOc1cccc([C@H](C)NC(=O)N2CCCC[C@H]2CCC(=O)[O-])c1 ZINC001263062214 957283458 /nfs/dbraw/zinc/28/34/58/957283458.db2.gz NSSZYOJGBFWPRT-HOCLYGCPSA-N -1 0 348.443 3.575 20 0 EHADRM CC(C)[C@@H](CNC(=O)N[C@@H](C)c1csc2ccccc21)C(=O)[O-] ZINC001263066734 957287577 /nfs/dbraw/zinc/28/75/77/957287577.db2.gz SRTZMLPDCOGSCL-WCQYABFASA-N -1 0 334.441 3.618 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)CSCc1cccc(Cl)c1 ZINC000037450497 957292893 /nfs/dbraw/zinc/29/28/93/957292893.db2.gz ITZRGXSNHSQPDN-UHFFFAOYSA-N -1 0 341.841 3.972 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@@H](C)Sc1ccc(Cl)cc1 ZINC000037589915 957310578 /nfs/dbraw/zinc/31/05/78/957310578.db2.gz XIYSWDFYMJVAPG-WDEREUQCSA-N -1 0 329.849 3.532 20 0 EHADRM CC(C)(CCNC(=O)N1C[C@H]2CCCC[C@]21c1ccccc1)C(=O)[O-] ZINC001326584440 957326161 /nfs/dbraw/zinc/32/61/61/957326161.db2.gz WSEMVVOTCHCMGD-UZLBHIALSA-N -1 0 344.455 3.598 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NC[C@H]2CCCC2(F)F)cc1Cl ZINC000390030368 972261961 /nfs/dbraw/zinc/26/19/61/972261961.db2.gz YPNFNAFPQJXOCZ-MRVPVSSYSA-N -1 0 332.734 3.595 20 0 EHADRM Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])c(C)o1 ZINC000390100986 972264900 /nfs/dbraw/zinc/26/49/00/972264900.db2.gz QALPPGUKKCXDLB-UHFFFAOYSA-N -1 0 327.258 3.866 20 0 EHADRM Cc1c(NC(=O)NC[C@@H]2CCCCC2(F)F)cccc1C(=O)[O-] ZINC000390212065 972269998 /nfs/dbraw/zinc/26/99/98/972269998.db2.gz XSMKMQINZOOSQH-NSHDSACASA-N -1 0 326.343 3.640 20 0 EHADRM Cc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cccc1C(=O)[O-] ZINC000065844481 957639012 /nfs/dbraw/zinc/63/90/12/957639012.db2.gz DCLRQUOXMCZIKO-UHFFFAOYSA-N -1 0 347.436 3.792 20 0 EHADRM Cc1ccc(OCC(=O)Oc2ccc(Cl)cc2C(=O)[O-])c(C)c1 ZINC000066143345 957640773 /nfs/dbraw/zinc/64/07/73/957640773.db2.gz JDZNNNITKXOTKM-UHFFFAOYSA-N -1 0 334.755 3.639 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)Oc1cccc(C(=O)[O-])c1 ZINC000066144119 957642054 /nfs/dbraw/zinc/64/20/54/957642054.db2.gz TZOOZGHYNKUHRQ-CYBMUJFWSA-N -1 0 328.364 3.883 20 0 EHADRM Cc1cc(C(=O)NC(C)C)ccc1NCc1ccc(C(=O)[O-])s1 ZINC001594278101 957728474 /nfs/dbraw/zinc/72/84/74/957728474.db2.gz YLOZCPVNGXBKJV-UHFFFAOYSA-N -1 0 332.425 3.505 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC001594284447 957766821 /nfs/dbraw/zinc/76/68/21/957766821.db2.gz CWZSFXYYXPUXMK-AWEZNQCLSA-N -1 0 337.297 3.727 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@H](C(F)F)C2CCCCC2)c1 ZINC001594286402 957782548 /nfs/dbraw/zinc/78/25/48/957782548.db2.gz NMSCTAGDOMECIP-AWEZNQCLSA-N -1 0 325.355 3.637 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)OCc2nc(C(F)(F)F)cs2)c1 ZINC001594288962 957805859 /nfs/dbraw/zinc/80/58/59/957805859.db2.gz GLDBQRMIYMMRSG-UHFFFAOYSA-N -1 0 345.298 3.526 20 0 EHADRM Cc1cc(C)c(/C=C/C(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1C ZINC001594292563 957837332 /nfs/dbraw/zinc/83/73/32/957837332.db2.gz PJIMWYIOADOFPO-QPJJXVBHSA-N -1 0 325.364 3.668 20 0 EHADRM CN(Cc1ccccc1Cl)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000390626062 972296406 /nfs/dbraw/zinc/29/64/06/972296406.db2.gz DDQYHKRCSOIDDP-UHFFFAOYSA-N -1 0 332.787 3.631 20 0 EHADRM CON(C(=O)c1ccc(Sc2ccccc2C)cc1)[C@@H](C)C(=O)[O-] ZINC001594040236 957860462 /nfs/dbraw/zinc/86/04/62/957860462.db2.gz UZZXOULPUCTQQL-ZDUSSCGKSA-N -1 0 345.420 3.623 20 0 EHADRM Cc1cc(C)c2c(c1)CCCN2C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001594294420 957860817 /nfs/dbraw/zinc/86/08/17/957860817.db2.gz MCRPBVHCQKTZKF-AATRIKPKSA-N -1 0 325.364 3.587 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)N[C@H](c1cccs1)C1CC1 ZINC001339845403 957891254 /nfs/dbraw/zinc/89/12/54/957891254.db2.gz KTEMELOXIDTXRG-BBRMVZONSA-N -1 0 336.457 3.628 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc3ccc(OC)cc3s2)C1 ZINC001341241475 957953164 /nfs/dbraw/zinc/95/31/64/957953164.db2.gz ZSCUPLVKLDRGMZ-SFHVURJKSA-N -1 0 347.436 3.627 20 0 EHADRM C[C@@H](CSc1ccccc1)N(C)C(=O)c1cccc(C(=O)[O-])c1 ZINC001603200181 972308161 /nfs/dbraw/zinc/30/81/61/972308161.db2.gz WVTXNVINFLADDJ-ZDUSSCGKSA-N -1 0 329.421 3.638 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)C1 ZINC001342720350 958012205 /nfs/dbraw/zinc/01/22/05/958012205.db2.gz JDVIGSUCHIDFSW-QGZVFWFLSA-N -1 0 334.803 3.538 20 0 EHADRM Cc1cc(F)c(C(F)(F)F)cc1NC(=O)NC1(C(=O)[O-])CCCC1 ZINC001594310720 958012762 /nfs/dbraw/zinc/01/27/62/958012762.db2.gz KFSOKVPGVIZPPJ-UHFFFAOYSA-N -1 0 348.296 3.672 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000391050964 972313995 /nfs/dbraw/zinc/31/39/95/972313995.db2.gz KAAXYVROCMHDFZ-NSHDSACASA-N -1 0 347.358 3.768 20 0 EHADRM Cc1cc(NC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc(C(F)(F)F)c1 ZINC001594317556 958085542 /nfs/dbraw/zinc/08/55/42/958085542.db2.gz IVRDONCERQPTBV-GWCFXTLKSA-N -1 0 344.333 3.588 20 0 EHADRM Cc1cc(NC(=O)NC[C@]2(O)CCCC(C)(C)CC2)ccc1C(=O)[O-] ZINC001594319224 958106383 /nfs/dbraw/zinc/10/63/83/958106383.db2.gz DUCVILGSMBRCLA-IBGZPJMESA-N -1 0 348.443 3.536 20 0 EHADRM CC(C)(C)CC(C)(C)NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000391217589 972324243 /nfs/dbraw/zinc/32/42/43/972324243.db2.gz TVXFMSLYILYEOX-UHFFFAOYSA-N -1 0 328.359 3.999 20 0 EHADRM CC(F)(F)c1ccc(CNC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)cc1 ZINC001603210739 972324438 /nfs/dbraw/zinc/32/44/38/972324438.db2.gz MNKCNEGACSYLRO-UHFFFAOYSA-N -1 0 339.382 3.552 20 0 EHADRM COc1cc2ccccc2cc1-c1nnc(CS[C@@H](C)C(=O)[O-])o1 ZINC001594069677 958171637 /nfs/dbraw/zinc/17/16/37/958171637.db2.gz JWMVKMVBDGSZIT-JTQLQIEISA-N -1 0 344.392 3.605 20 0 EHADRM Cc1ccc(C(C)(C)CNC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC001356630166 958181122 /nfs/dbraw/zinc/18/11/22/958181122.db2.gz OYNLQVDNUOTSDV-MRXNPFEDSA-N -1 0 346.471 3.559 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001594331269 958223889 /nfs/dbraw/zinc/22/38/89/958223889.db2.gz VVAZCIAGBQXTGM-AUUYWEPGSA-N -1 0 331.412 3.529 20 0 EHADRM Cc1cc2scc(CC(=O)N3CCC[C@H](C)[C@H]3C(=O)[O-])c2s1 ZINC001594333488 958246030 /nfs/dbraw/zinc/24/60/30/958246030.db2.gz WXBHLRUDQXIMMG-XPTSAGLGSA-N -1 0 337.466 3.525 20 0 EHADRM COc1ccc(C(C)(C)NC(=O)c2cc(C)cc(C(=O)[O-])c2)cc1F ZINC001594082010 958275085 /nfs/dbraw/zinc/27/50/85/958275085.db2.gz ZGAMTVJMCNVAAE-UHFFFAOYSA-N -1 0 345.370 3.506 20 0 EHADRM Cc1ccc(Br)c(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)c1 ZINC001594341800 958296715 /nfs/dbraw/zinc/29/67/15/958296715.db2.gz DJLWJSSGNZQBQY-HNNXBMFYSA-N -1 0 338.201 3.507 20 0 EHADRM COc1ccc(C)cc1[C@H](C)NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001594084326 958300106 /nfs/dbraw/zinc/30/01/06/958300106.db2.gz PVNFAXGWPGZZKW-LBPRGKRZSA-N -1 0 328.368 3.585 20 0 EHADRM Cc1ccc(C(F)(F)F)c(NC(=O)N[C@H](CC(C)C)C(=O)[O-])c1 ZINC001594351355 958356804 /nfs/dbraw/zinc/35/68/04/958356804.db2.gz YBKHUARTXMMEPR-GFCCVEGCSA-N -1 0 332.322 3.635 20 0 EHADRM COc1ccc(N(C(=O)c2coc(/C=C\C(=O)[O-])c2)C(C)C)cc1F ZINC001594099628 958427933 /nfs/dbraw/zinc/42/79/33/958427933.db2.gz SHGQIUDEGQNOCE-ALCCZGGFSA-N -1 0 347.342 3.580 20 0 EHADRM Cc1ccc(Cl)c(NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001594363211 958472367 /nfs/dbraw/zinc/47/23/67/958472367.db2.gz MPUOUONFYWMLSW-CQSZACIVSA-N -1 0 336.750 3.735 20 0 EHADRM Cc1ccc(N(C(=O)c2ccc(OCC(=O)[O-])cc2)C(C)C)cc1 ZINC001594367362 958500375 /nfs/dbraw/zinc/50/03/75/958500375.db2.gz RKSMAWXQVKNHEX-UHFFFAOYSA-N -1 0 327.380 3.514 20 0 EHADRM Cc1ccc(Nc2ccccc2C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])cc1 ZINC001594373097 958557605 /nfs/dbraw/zinc/55/76/05/958557605.db2.gz BETRJHUEOAMNAR-AEFFLSMTSA-N -1 0 338.407 3.722 20 0 EHADRM C/C(=C/c1ccccc1)CN(C)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001588488566 958638646 /nfs/dbraw/zinc/63/86/46/958638646.db2.gz QEHJAQOAJNXTJB-YJKQCFOZSA-N -1 0 325.364 3.553 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)CSc1ccc(F)cc1 ZINC000128183131 958642741 /nfs/dbraw/zinc/64/27/41/958642741.db2.gz RHQCRYIRDKDOOH-UHFFFAOYSA-N -1 0 325.386 3.625 20 0 EHADRM Cc1ccc2occ(CC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c2c1 ZINC001594386390 958676222 /nfs/dbraw/zinc/67/62/22/958676222.db2.gz VRACPAMTNDWPLS-OAHLLOKOSA-N -1 0 331.412 3.679 20 0 EHADRM O=C([O-])c1ccc(NCc2sccc2Br)cc1F ZINC000128898008 958685299 /nfs/dbraw/zinc/68/52/99/958685299.db2.gz DUUCTOPBGCFMMY-UHFFFAOYSA-N -1 0 330.178 3.960 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(Oc2cccc(F)c2)nc1 ZINC001573391615 958703560 /nfs/dbraw/zinc/70/35/60/958703560.db2.gz UEMOLINVRWBTFX-OAHLLOKOSA-N -1 0 346.358 3.698 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc(Cl)ccc1Cl)c1cccs1 ZINC000129583850 958710706 /nfs/dbraw/zinc/71/07/06/958710706.db2.gz IOHYQHAZVHPFHV-NSHDSACASA-N -1 0 330.192 3.611 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC001605734834 972371383 /nfs/dbraw/zinc/37/13/83/972371383.db2.gz DBJZJXJZCCALRT-IMSIIYSGSA-N -1 0 342.222 3.672 20 0 EHADRM Cc1cc(Br)cc(C(=O)NCCCCCCC(=O)[O-])c1 ZINC000130626807 958735934 /nfs/dbraw/zinc/73/59/34/958735934.db2.gz PUGFQQODATUNGV-UHFFFAOYSA-N -1 0 342.233 3.522 20 0 EHADRM CC[C@H]1CCCN1C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000132512071 958787462 /nfs/dbraw/zinc/78/74/62/958787462.db2.gz KWXVZBDNTVXWGX-JTQLQIEISA-N -1 0 341.205 3.554 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2coc(C3CCCCC3)n2)C(=O)[O-])c1 ZINC001594398735 958810735 /nfs/dbraw/zinc/81/07/35/958810735.db2.gz DVAWKRADYVQZQO-INIZCTEOSA-N -1 0 342.395 3.586 20 0 EHADRM Cc1cccc(C)c1[C@H](C)OC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001594400067 958846832 /nfs/dbraw/zinc/84/68/32/958846832.db2.gz YQJXAEBGNIKEPH-AWEZNQCLSA-N -1 0 328.364 3.685 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2ccccc2C(F)(F)F)C(=O)[O-])c1 ZINC001594400215 958848154 /nfs/dbraw/zinc/84/81/54/958848154.db2.gz ZYLJHYLYBRELCU-AWEZNQCLSA-N -1 0 337.297 3.570 20 0 EHADRM Cc1cccc(C2=CCN(C(=O)C3(CC(=O)[O-])CCC3)CC2)c1C ZINC001594401368 958856298 /nfs/dbraw/zinc/85/62/98/958856298.db2.gz BAQIPPGORREQNR-UHFFFAOYSA-N -1 0 327.424 3.564 20 0 EHADRM CC(C)(C)c1cccc(OC(=O)c2cccc(OCC(=O)[O-])c2)c1 ZINC001573464036 958934194 /nfs/dbraw/zinc/93/41/94/958934194.db2.gz SYOSKICLCIDDBD-UHFFFAOYSA-N -1 0 328.364 3.667 20 0 EHADRM Cc1cccc(C[C@]2(C)CCCN2C(=O)NCCC(C)(C)C(=O)[O-])c1 ZINC001594409736 958939004 /nfs/dbraw/zinc/93/90/04/958939004.db2.gz RTFLKKBVAHAKFJ-FQEVSTJZSA-N -1 0 346.471 3.603 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])C(C)C ZINC001594415061 958987016 /nfs/dbraw/zinc/98/70/16/958987016.db2.gz AYRVZIQHEGJRMR-NVXWUHKLSA-N -1 0 334.460 3.738 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)NC[C@H](CC(C)C)C(=O)[O-])C(C)C ZINC001594415062 958987336 /nfs/dbraw/zinc/98/73/36/958987336.db2.gz AYRVZIQHEGJRMR-RDJZCZTQSA-N -1 0 334.460 3.738 20 0 EHADRM C[C@H](C(=O)N1CCC[C@H](C)[C@H]1C(=O)[O-])c1ccc2ccccc2c1 ZINC001588548497 959007202 /nfs/dbraw/zinc/00/72/02/959007202.db2.gz PJVJXLMASQMSSZ-DEYYWGMASA-N -1 0 325.408 3.655 20 0 EHADRM C[C@H](C(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC001588548528 959007454 /nfs/dbraw/zinc/00/74/54/959007454.db2.gz PRWMBIXNMNOYMY-RYUDHWBXSA-N -1 0 343.345 3.522 20 0 EHADRM C[C@H](C(=O)N1CCCc2cc(C(=O)[O-])ccc21)c1ccccc1F ZINC001588550674 959012081 /nfs/dbraw/zinc/01/20/81/959012081.db2.gz ATJJUKCKGJJELP-LBPRGKRZSA-N -1 0 327.355 3.607 20 0 EHADRM COc1cccc(CN(C)C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000391967390 972395820 /nfs/dbraw/zinc/39/58/20/972395820.db2.gz PRFMUEAJGOTNNL-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM CC(C)[C@H](CNC(=O)c1ccc(C(C)(C)C)c(Cl)c1)C(=O)[O-] ZINC001573497882 959036882 /nfs/dbraw/zinc/03/68/82/959036882.db2.gz CMZRKBAAGMRTIS-LBPRGKRZSA-N -1 0 325.836 3.724 20 0 EHADRM CC(C)C[C@H](CNC(=O)N(C)[C@H]1CCC[C@H]1C(C)(C)C)C(=O)[O-] ZINC001573509935 959088461 /nfs/dbraw/zinc/08/84/61/959088461.db2.gz WZYYURPQPACLQV-KFWWJZLASA-N -1 0 326.481 3.590 20 0 EHADRM CC(C)c1ccccc1NC(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000392022206 972401178 /nfs/dbraw/zinc/40/11/78/972401178.db2.gz VXALNKZRADLDPG-OAHLLOKOSA-N -1 0 344.333 3.681 20 0 EHADRM O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)Cc1ccccc1F ZINC000392030618 972402646 /nfs/dbraw/zinc/40/26/46/972402646.db2.gz QXKPMSFEZGBDKO-UHFFFAOYSA-N -1 0 341.260 3.724 20 0 EHADRM O=C([O-])CC1(CC(=O)N(Cc2ccco2)CC(F)(F)F)CCCC1 ZINC000392043053 972403928 /nfs/dbraw/zinc/40/39/28/972403928.db2.gz QBXUOIMDOYUYLI-UHFFFAOYSA-N -1 0 347.333 3.596 20 0 EHADRM CSc1ccc(/C=C/C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)s1 ZINC001594195278 959191649 /nfs/dbraw/zinc/19/16/49/959191649.db2.gz WYZUKRWDNPBXGU-VMSUTVGLSA-N -1 0 347.461 3.599 20 0 EHADRM CSc1cccc(NC(=O)N[C@H](C(=O)[O-])c2cccc(C)c2)c1 ZINC001594196374 959196716 /nfs/dbraw/zinc/19/67/16/959196716.db2.gz OEKXEHASFVKWRI-HNNXBMFYSA-N -1 0 330.409 3.664 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc(C(=O)[O-])cn2)cc1 ZINC001573544243 959200945 /nfs/dbraw/zinc/20/09/45/959200945.db2.gz WFJPTPHAZDKGGI-ZDUSSCGKSA-N -1 0 326.396 3.721 20 0 EHADRM CC(C)c1cc(C(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])c2ccccc2n1 ZINC001573559593 959275062 /nfs/dbraw/zinc/27/50/62/959275062.db2.gz ZLTPXGDNCQIAMJ-SCLBCKFNSA-N -1 0 340.423 3.684 20 0 EHADRM CC(C)c1cc(C(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])c2ccccc2n1 ZINC001573559591 959276061 /nfs/dbraw/zinc/27/60/61/959276061.db2.gz ZLTPXGDNCQIAMJ-ACJLOTCBSA-N -1 0 340.423 3.684 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)CCCOc1ccc(C(C)(C)C)cc1)C1CC1 ZINC001588584345 959286397 /nfs/dbraw/zinc/28/63/97/959286397.db2.gz BFAQIDTWNLLEJD-CQSZACIVSA-N -1 0 347.455 3.607 20 0 EHADRM Cc1nc(-c2ccccc2)oc1CN[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001594443519 959306217 /nfs/dbraw/zinc/30/62/17/959306217.db2.gz DPLOUEHTULOTTR-HXUWFJFHSA-N -1 0 336.391 3.740 20 0 EHADRM Cc1nc(-c2ccccc2NC(=O)N[C@H](CC(C)C)C(=O)[O-])cs1 ZINC001594445749 959325422 /nfs/dbraw/zinc/32/54/22/959325422.db2.gz DACGZFHYBALRTO-CQSZACIVSA-N -1 0 347.440 3.739 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1)C1CC1 ZINC001588589017 959331780 /nfs/dbraw/zinc/33/17/80/959331780.db2.gz AWYQOPDDHMEYNS-LLVKDONJSA-N -1 0 328.412 3.543 20 0 EHADRM Cc1nc(C2CCCCC2)sc1C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC001594452092 959385637 /nfs/dbraw/zinc/38/56/37/959385637.db2.gz XAJJUBKBOOAIEY-CYBMUJFWSA-N -1 0 338.473 3.728 20 0 EHADRM Cc1nc(C2CCCCC2)sc1C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC001594452229 959387006 /nfs/dbraw/zinc/38/70/06/959387006.db2.gz YGKIWBODTNQGKC-ZDUSSCGKSA-N -1 0 338.473 3.586 20 0 EHADRM C[C@H](C(=O)[O-])N(c1nc(-c2ccccc2)nc2ccccc21)C1CC1 ZINC001588597841 959399094 /nfs/dbraw/zinc/39/90/94/959399094.db2.gz UTXWKXAAECXOCN-CYBMUJFWSA-N -1 0 333.391 3.739 20 0 EHADRM Cc1oc(CNC(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1C(=O)[O-] ZINC000176440119 959421485 /nfs/dbraw/zinc/42/14/85/959421485.db2.gz HWYUNELERLMAKO-GOSFSIBNSA-N -1 0 345.439 3.899 20 0 EHADRM C[C@H](C(=O)[O-])c1noc(Cc2csc(-c3ccccc3Cl)n2)n1 ZINC001588602206 959435949 /nfs/dbraw/zinc/43/59/49/959435949.db2.gz KMQDZWVIHSNMFF-QMMMGPOBSA-N -1 0 349.799 3.625 20 0 EHADRM C[C@H](NC(=O)c1cc(C(=O)[O-])co1)c1nc(-c2ccccc2)cs1 ZINC000183787028 959449980 /nfs/dbraw/zinc/44/99/80/959449980.db2.gz PFBAJPFGQYDVAW-JTQLQIEISA-N -1 0 342.376 3.592 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C(=O)c1cc(C(=O)[O-])co1)C1CC1 ZINC000183808329 959452206 /nfs/dbraw/zinc/45/22/06/959452206.db2.gz MFDDLMORCUYRRE-SNVBAGLBSA-N -1 0 333.771 3.997 20 0 EHADRM C[C@H](Cc1cccc(F)c1)N(C)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001573607950 959462169 /nfs/dbraw/zinc/46/21/69/959462169.db2.gz KYVNAQVVYMYJHG-CYBMUJFWSA-N -1 0 344.386 3.548 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)NCc1ccccc1C(=O)[O-] ZINC001573608134 959463816 /nfs/dbraw/zinc/46/38/16/959463816.db2.gz NFMJXQCDAWAJGN-LBPRGKRZSA-N -1 0 331.799 3.533 20 0 EHADRM C[C@](NC(=O)c1ccc(-c2cccs2)o1)(C(=O)[O-])c1ccccc1 ZINC001573623464 959525721 /nfs/dbraw/zinc/52/57/21/959525721.db2.gz SSWMIXQRSPKWGE-GOSISDBHSA-N -1 0 341.388 3.738 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2cccnc2C(F)(F)F)c1 ZINC000191012028 959534532 /nfs/dbraw/zinc/53/45/32/959534532.db2.gz OCAQMGUZZSSNJO-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)C(C)(C)c2cccs2)cc1)C(=O)[O-] ZINC000191397042 959558977 /nfs/dbraw/zinc/55/89/77/959558977.db2.gz AQAULLIFLIMDFB-GFCCVEGCSA-N -1 0 331.437 3.928 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)/C=C/SCc2ccco2)cc1)C(=O)[O-] ZINC000191404428 959560482 /nfs/dbraw/zinc/56/04/82/959560482.db2.gz CDQFJGFPQWIVLK-AORWBKJGSA-N -1 0 345.420 3.928 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000191409706 959563086 /nfs/dbraw/zinc/56/30/86/959563086.db2.gz LRZHAKVZCGJADC-KGLIPLIRSA-N -1 0 343.398 3.906 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2ccc3ccccc3n2)cc1)C(=O)[O-] ZINC000191447232 959570362 /nfs/dbraw/zinc/57/03/62/959570362.db2.gz NUJBZROTRRYUTK-CYBMUJFWSA-N -1 0 334.375 3.750 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 ZINC000191616431 959585051 /nfs/dbraw/zinc/58/50/51/959585051.db2.gz VFXYZHVCAAHELT-RKDXNWHRSA-N -1 0 347.745 3.771 20 0 EHADRM COc1ccc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c2ccccc12 ZINC000192893433 959596855 /nfs/dbraw/zinc/59/68/55/959596855.db2.gz YUYAEQXRVKFQOU-UHFFFAOYSA-N -1 0 349.386 3.819 20 0 EHADRM CC[C@H](CC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1)c1ccc(C)cc1 ZINC000193018860 959607623 /nfs/dbraw/zinc/60/76/23/959607623.db2.gz SIPKGQFSYNQBQS-CQSZACIVSA-N -1 0 343.427 3.534 20 0 EHADRM Cc1cc(C)cc(C2=CCN(C(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)CC2)c1 ZINC000193022308 959608091 /nfs/dbraw/zinc/60/80/91/959608091.db2.gz SYDWJVLYAZIWDW-QZTJIDSGSA-N -1 0 341.451 3.810 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001588633286 959627991 /nfs/dbraw/zinc/62/79/91/959627991.db2.gz HARBCEKRWXMYJE-BIMULSAOSA-N -1 0 344.238 3.712 20 0 EHADRM Cc1c2ccccc2oc1CNC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001594261436 959695865 /nfs/dbraw/zinc/69/58/65/959695865.db2.gz BQASPQSKDVAMIP-AWEZNQCLSA-N -1 0 344.411 3.670 20 0 EHADRM CC1(C)C[C@@]1(NC(=O)NCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001573668134 959717025 /nfs/dbraw/zinc/71/70/25/959717025.db2.gz XDJCFVPYZPVZPR-HXUWFJFHSA-N -1 0 338.407 3.509 20 0 EHADRM O=C([O-])c1occc1COc1cc(Br)cc(F)c1F ZINC000219745215 959797206 /nfs/dbraw/zinc/79/72/06/959797206.db2.gz VDPDREKKDCRBNG-UHFFFAOYSA-N -1 0 333.084 3.598 20 0 EHADRM C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)NCc1ccccc1C(=O)[O-] ZINC001573698923 959811550 /nfs/dbraw/zinc/81/15/50/959811550.db2.gz QSZFWVJRGLBRAX-HIFRSBDPSA-N -1 0 332.444 3.741 20 0 EHADRM Cc1cc(C)c(NC(=O)c2cc(C(=O)[O-])co2)c(Br)c1 ZINC000228150751 959992999 /nfs/dbraw/zinc/99/29/99/959992999.db2.gz RUVDNVLHHRKKHJ-UHFFFAOYSA-N -1 0 338.157 3.609 20 0 EHADRM Cc1cc(F)c(Br)cc1NCc1cc(C(=O)[O-])co1 ZINC000232097832 960242667 /nfs/dbraw/zinc/24/26/67/960242667.db2.gz DTPDJSKKWYLROE-UHFFFAOYSA-N -1 0 328.137 3.800 20 0 EHADRM COc1ccc2c(c1)[C@H](NC(=O)c1cc(C)cc(C(=O)[O-])c1)CCC2 ZINC001574226854 960401021 /nfs/dbraw/zinc/40/10/21/960401021.db2.gz GBHVTLUIWLQPMV-GOSISDBHSA-N -1 0 339.391 3.509 20 0 EHADRM C[C@@H]1CCCN(C(=O)c2cc(C(F)(F)F)ccc2Cl)[C@H]1C(=O)[O-] ZINC001573726897 960416560 /nfs/dbraw/zinc/41/65/60/960416560.db2.gz QGXWSXFVNWYPOR-PRHODGIISA-N -1 0 349.736 3.684 20 0 EHADRM CSC1CCC(CNC(=O)Nc2ccc(C(=O)[O-])cc2F)CC1 ZINC001574253360 960520529 /nfs/dbraw/zinc/52/05/29/960520529.db2.gz BBMVOQMCKFKFEJ-UHFFFAOYSA-N -1 0 340.420 3.567 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)c1nc2ccccc2cc1C1CC1 ZINC001574265434 960574277 /nfs/dbraw/zinc/57/42/77/960574277.db2.gz BCIDGKSJUNHCHR-SJKOYZFVSA-N -1 0 338.407 3.580 20 0 EHADRM C/C=C/C[C@@H]1CCCN(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)C1 ZINC001573760181 960608443 /nfs/dbraw/zinc/60/84/43/960608443.db2.gz WSQXLLLQSGTZAL-NOVZMGDGSA-N -1 0 342.439 3.687 20 0 EHADRM O=C([O-])c1ccc(Br)cc1NC(=O)c1ccoc1Cl ZINC000236464101 960637479 /nfs/dbraw/zinc/63/74/79/960637479.db2.gz BHDQWIHELGEIRL-UHFFFAOYSA-N -1 0 344.548 3.646 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2ccoc2Br)c1 ZINC000236479238 960662855 /nfs/dbraw/zinc/66/28/55/960662855.db2.gz KQHLWRIPISNWNT-UHFFFAOYSA-N -1 0 344.548 3.646 20 0 EHADRM CC[C@@H](CC(F)F)C(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21 ZINC001573776575 960690920 /nfs/dbraw/zinc/69/09/20/960690920.db2.gz VDGBVTDWXGGILV-OLZOCXBDSA-N -1 0 339.382 3.738 20 0 EHADRM CC(C)[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000392811208 972526067 /nfs/dbraw/zinc/52/60/67/972526067.db2.gz XMKOHSQTZJOORK-ZYHUDNBSSA-N -1 0 340.370 3.999 20 0 EHADRM CC(C)Sc1ccccc1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000236624059 960717873 /nfs/dbraw/zinc/71/78/73/960717873.db2.gz LNBHJSLCMKRAQI-AWEZNQCLSA-N -1 0 335.469 3.904 20 0 EHADRM CC(C)(C(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1cccc(Cl)c1 ZINC000236691215 960732919 /nfs/dbraw/zinc/73/29/19/960732919.db2.gz QJYMCVZRFHHXBR-CYBMUJFWSA-N -1 0 337.847 3.721 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)OC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001574307295 960748088 /nfs/dbraw/zinc/74/80/88/960748088.db2.gz YGICYGBJBFDOTP-RDBSUJKOSA-N -1 0 346.379 3.615 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)CCC(F)(F)F)cc1 ZINC000236747538 960748822 /nfs/dbraw/zinc/74/88/22/960748822.db2.gz BMBKWLUPKSORTB-ZDUSSCGKSA-N -1 0 345.361 3.959 20 0 EHADRM CCC[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000236846312 960771689 /nfs/dbraw/zinc/77/16/89/960771689.db2.gz CMSVEJVXLCINLA-MFKMUULPSA-N -1 0 347.333 3.653 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000237043342 960852076 /nfs/dbraw/zinc/85/20/76/960852076.db2.gz QTIOWYFAUHJLMO-NWDGAFQWSA-N -1 0 345.361 3.596 20 0 EHADRM CO[C@@H](C(=O)Nc1cc2ccccc2cc1C(=O)[O-])c1ccccc1 ZINC000237298625 960906444 /nfs/dbraw/zinc/90/64/44/960906444.db2.gz XLJQMAMNVKSGNI-GOSISDBHSA-N -1 0 335.359 3.864 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)c(C)n1CC1CC1 ZINC001319230066 960934479 /nfs/dbraw/zinc/93/44/79/960934479.db2.gz ODOHWIFLFPEWGW-UHFFFAOYSA-N -1 0 326.396 3.774 20 0 EHADRM Cc1cc(NC(=O)Nc2ccn(CCC(C)C)n2)ccc1C(=O)[O-] ZINC001574341452 960940546 /nfs/dbraw/zinc/94/05/46/960940546.db2.gz SKINWSPMMOCLKR-UHFFFAOYSA-N -1 0 330.388 3.580 20 0 EHADRM C[C@H](CC(=O)N(C)CCCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000237494574 960947706 /nfs/dbraw/zinc/94/77/06/960947706.db2.gz VPMOHLUPZOKWAD-LLVKDONJSA-N -1 0 331.334 3.522 20 0 EHADRM Cc1cc2c(CC(=O)Nc3cncc(C(=O)[O-])c3)csc2s1 ZINC001574344489 960959562 /nfs/dbraw/zinc/95/95/62/960959562.db2.gz NEIGFUUPLLFNCB-UHFFFAOYSA-N -1 0 332.406 3.546 20 0 EHADRM Cc1ccc(NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])cc1F ZINC000237563683 960962613 /nfs/dbraw/zinc/96/26/13/960962613.db2.gz SYEDZLZCOYFZLV-NSHDSACASA-N -1 0 333.384 3.952 20 0 EHADRM Cc1ccc(NC(=O)C(C)(C)Oc2ccc(F)cc2)cc1C(=O)[O-] ZINC000237586687 960966965 /nfs/dbraw/zinc/96/69/65/960966965.db2.gz UBXXSKMJIULWNB-UHFFFAOYSA-N -1 0 331.343 3.628 20 0 EHADRM Cc1ccc2[nH]c(C(=O)NCCCCCCC(=O)[O-])c(Cl)c2c1 ZINC001319965598 960967385 /nfs/dbraw/zinc/96/73/85/960967385.db2.gz SFBATKDPBYJGQA-UHFFFAOYSA-N -1 0 336.819 3.895 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1csc2c1CCCC2)c1ccccc1 ZINC000237634722 960982295 /nfs/dbraw/zinc/98/22/95/960982295.db2.gz DWCKLTSNMXVRRO-SJCJKPOMSA-N -1 0 343.448 3.819 20 0 EHADRM Cc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)c(C(=O)[O-])c1 ZINC000237656249 960985972 /nfs/dbraw/zinc/98/59/72/960985972.db2.gz PYTPMASUJLNHBD-UHFFFAOYSA-N -1 0 325.698 3.877 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)c(Cl)c1C ZINC001574351419 960990905 /nfs/dbraw/zinc/99/09/05/960990905.db2.gz WUMNJYYHQNWWAU-OAHLLOKOSA-N -1 0 335.762 3.652 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CSCc1cccs1 ZINC001320980997 960992674 /nfs/dbraw/zinc/99/26/74/960992674.db2.gz IIACOXWXGDIWHG-UHFFFAOYSA-N -1 0 335.450 3.935 20 0 EHADRM CC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC[C@@H]1c1ccccc1 ZINC001573829798 961004440 /nfs/dbraw/zinc/00/44/40/961004440.db2.gz GKJWBJBMKNKKHN-SPUZQDLCSA-N -1 0 329.440 3.530 20 0 EHADRM CC[C@@H]1CCc2c(sc(NC(=O)CC(C)(C)OC)c2C(=O)[O-])C1 ZINC001573830579 961014341 /nfs/dbraw/zinc/01/43/41/961014341.db2.gz RVFBMKUKQKJYDP-SNVBAGLBSA-N -1 0 339.457 3.715 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)CCc1ccc(Cl)cc1 ZINC000237753544 961016711 /nfs/dbraw/zinc/01/67/11/961016711.db2.gz SQQQSKLYUQSNLP-UHFFFAOYSA-N -1 0 347.798 3.683 20 0 EHADRM Cc1cc(OCC(=O)Nc2cc(C(=O)[O-])ccc2F)ccc1Cl ZINC000237768066 961020018 /nfs/dbraw/zinc/02/00/18/961020018.db2.gz XPGGDGKPCRKYFI-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000237796384 961026118 /nfs/dbraw/zinc/02/61/18/961026118.db2.gz SFDLAQLAGXDZQW-KBPBESRZSA-N -1 0 345.420 3.571 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3coc(/C=C\C(=O)[O-])c3)C2)cc1 ZINC001574361494 961029080 /nfs/dbraw/zinc/02/90/80/961029080.db2.gz LSJNVCQKQJELGI-HJYQMELSSA-N -1 0 339.391 3.704 20 0 EHADRM Cc1cc(NC(=O)[C@H]2C[C@]23CCCc2ccccc23)ccc1C(=O)[O-] ZINC000237816595 961030456 /nfs/dbraw/zinc/03/04/56/961030456.db2.gz FWTZJVJDUVISFA-NQIIRXRSSA-N -1 0 335.403 3.926 20 0 EHADRM Cc1ccc(N(CC(C)C)C(=O)c2ccc(C(=O)[O-])cn2)c(C)c1 ZINC001574368746 961059746 /nfs/dbraw/zinc/05/97/46/961059746.db2.gz DSGAJHRBCMPEHP-UHFFFAOYSA-N -1 0 326.396 3.699 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)c1 ZINC000238032973 961082312 /nfs/dbraw/zinc/08/23/12/961082312.db2.gz ADMKPYZITXTENP-JKSUJKDBSA-N -1 0 345.782 3.546 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CCCC[C@H]2Cc2ccccc2)o1 ZINC000238029772 961082577 /nfs/dbraw/zinc/08/25/77/961082577.db2.gz YRYHDNZNBVJBRO-LSDHHAIUSA-N -1 0 327.380 3.509 20 0 EHADRM CCCN(C(=O)CCCC(=O)[O-])[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC001573847825 961100484 /nfs/dbraw/zinc/10/04/84/961100484.db2.gz ACIYBDGIHPFVQG-JKSUJKDBSA-N -1 0 339.476 3.608 20 0 EHADRM O=C([O-])c1cccc(CN2CCO[C@@H](c3ccc(Cl)s3)C2)c1 ZINC001326750133 961123197 /nfs/dbraw/zinc/12/31/97/961123197.db2.gz HBGIWACUBYZWAV-CYBMUJFWSA-N -1 0 337.828 3.673 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)c1 ZINC000238150579 961131585 /nfs/dbraw/zinc/13/15/85/961131585.db2.gz AYUCIUYOFGPAEJ-NWDGAFQWSA-N -1 0 335.281 3.544 20 0 EHADRM CC(C)(C)SCCCC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001588738637 961140084 /nfs/dbraw/zinc/14/00/84/961140084.db2.gz OAGNTXMARZIUET-HUUCEWRRSA-N -1 0 335.469 3.728 20 0 EHADRM CCCN(Cc1ccc(F)cc1F)C(=O)Cc1ccccc1C(=O)[O-] ZINC001573857853 961160600 /nfs/dbraw/zinc/16/06/00/961160600.db2.gz ZERKAWWEYFULLB-UHFFFAOYSA-N -1 0 347.361 3.644 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)c2csc3c2CCCC3)cc1 ZINC000238210398 961164105 /nfs/dbraw/zinc/16/41/05/961164105.db2.gz ZCOYRFKCXAMJTB-UHFFFAOYSA-N -1 0 345.420 3.733 20 0 EHADRM Cc1cccc([C@H](NC(=O)/C=C\c2ccc(Cl)s2)C(=O)[O-])c1 ZINC001574390536 961171852 /nfs/dbraw/zinc/17/18/52/961171852.db2.gz XYTOLASHFRKHEF-LYASGUKUSA-N -1 0 335.812 3.665 20 0 EHADRM CCc1cccc(CC)c1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000244065805 961184231 /nfs/dbraw/zinc/18/42/31/961184231.db2.gz UBIWTWZWSRUQCI-UHFFFAOYSA-N -1 0 326.396 3.831 20 0 EHADRM Cc1cccc([C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)C(=O)[O-])c1 ZINC001574392172 961188388 /nfs/dbraw/zinc/18/83/88/961188388.db2.gz QJIAGQOQSRGPLQ-IPMKNSEASA-N -1 0 337.419 3.657 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCC[C@H]2c2cccc(Cl)c2)C1 ZINC000245745593 961191013 /nfs/dbraw/zinc/19/10/13/961191013.db2.gz SKUZVSHTEAQBAL-LZWOXQAQSA-N -1 0 335.831 3.895 20 0 EHADRM CCN(C(=O)CCCc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)[O-] ZINC001573871644 961208605 /nfs/dbraw/zinc/20/86/05/961208605.db2.gz HECHBQJOVSYZES-JTQLQIEISA-N -1 0 332.227 3.638 20 0 EHADRM CN(C(=O)CC(c1ccccc1)c1ccccc1)C(C)(C)CC(=O)[O-] ZINC001328571178 961211146 /nfs/dbraw/zinc/21/11/46/961211146.db2.gz DDCAWAQJYOYKJK-UHFFFAOYSA-N -1 0 339.435 3.920 20 0 EHADRM Cc1ccccc1C1(NC(=O)NCc2cccc(C(=O)[O-])c2)CCC1 ZINC001574401236 961229383 /nfs/dbraw/zinc/22/93/83/961229383.db2.gz BDRXKEIONVVVFW-UHFFFAOYSA-N -1 0 338.407 3.572 20 0 EHADRM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC001574401753 961237617 /nfs/dbraw/zinc/23/76/17/961237617.db2.gz CQNVHQANRVCTCA-QXSJWSMHSA-N -1 0 329.440 3.545 20 0 EHADRM CN(C(=O)CCCc1cccc(C(F)(F)F)c1)C(C)(C)CC(=O)[O-] ZINC001329496298 961275078 /nfs/dbraw/zinc/27/50/78/961275078.db2.gz UAMHRVAJKYHUBY-UHFFFAOYSA-N -1 0 345.361 3.740 20 0 EHADRM CC(C)(Cc1ccc(O)cc1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001588784957 961339540 /nfs/dbraw/zinc/33/95/40/961339540.db2.gz AHBNLYPVBOGVKC-UHFFFAOYSA-N -1 0 341.407 3.617 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000261952405 961400602 /nfs/dbraw/zinc/40/06/02/961400602.db2.gz WOYVSARWMJCOMH-JOYOIKCWSA-N -1 0 335.787 3.577 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)N(CC(=O)[O-])CC1CC1 ZINC001588799293 961413614 /nfs/dbraw/zinc/41/36/14/961413614.db2.gz SXIYKYYPKUYHJI-UHFFFAOYSA-N -1 0 333.453 3.682 20 0 EHADRM Cc1sc(-n2cccc2)c(C(=O)Nc2ccc(C(=O)[O-])cn2)c1C ZINC001574445905 961444051 /nfs/dbraw/zinc/44/40/51/961444051.db2.gz BCMUGSMCYIJMPD-UHFFFAOYSA-N -1 0 341.392 3.501 20 0 EHADRM Cc1ccc(C)c(OCCCCC(=O)N(C[C@H](C)C(=O)[O-])C2CC2)c1 ZINC000262101857 961459452 /nfs/dbraw/zinc/45/94/52/961459452.db2.gz FLZSZBZMISUNBT-INIZCTEOSA-N -1 0 347.455 3.564 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)Nc1cccc(OC2CCCC2)c1 ZINC000262124952 961479809 /nfs/dbraw/zinc/47/98/09/961479809.db2.gz GUNRVPCKBSVTMC-UHFFFAOYSA-N -1 0 339.391 3.887 20 0 EHADRM C[C@@H]1C[C@H]1CNC(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000262197653 961543831 /nfs/dbraw/zinc/54/38/31/961543831.db2.gz UFEWCVAUYFLMSP-NEPJUHHUSA-N -1 0 345.420 3.656 20 0 EHADRM CCOc1cccc(NCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)c1 ZINC001573925208 961546681 /nfs/dbraw/zinc/54/66/81/961546681.db2.gz USBDUEDFLNDMIT-CQSZACIVSA-N -1 0 344.411 3.591 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)CC2(C(F)(F)F)CC2)cc1)C(=O)[O-] ZINC001332613932 961604515 /nfs/dbraw/zinc/60/45/15/961604515.db2.gz QIJQWVXYAIMZCA-JTQLQIEISA-N -1 0 329.318 3.621 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000262281042 961615016 /nfs/dbraw/zinc/61/50/16/961615016.db2.gz ZOOHQFLERBEIJL-QGZVFWFLSA-N -1 0 343.810 3.944 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2CCC[C@@H](F)C2)ccc1Br ZINC001332638358 961618147 /nfs/dbraw/zinc/61/81/47/961618147.db2.gz VYLQTEFMHMSINO-RKDXNWHRSA-N -1 0 344.180 3.614 20 0 EHADRM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)c1ccc(C(C)(C)C)cc1 ZINC000262344188 961657582 /nfs/dbraw/zinc/65/75/82/961657582.db2.gz ABPLYJWSZZNOJX-HNNXBMFYSA-N -1 0 349.471 3.574 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)CC2(C(F)(F)F)CC2)cc1 ZINC001334206685 961784602 /nfs/dbraw/zinc/78/46/02/961784602.db2.gz XYCCLCXYBARLSZ-NWDGAFQWSA-N -1 0 327.302 3.546 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)[C@@H]1C(C)C ZINC001588840468 961789491 /nfs/dbraw/zinc/78/94/91/961789491.db2.gz HQDNKZUCICQTPE-XMTFNYHQSA-N -1 0 344.455 3.622 20 0 EHADRM CC(C)C1CCC(NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1 ZINC001588841593 961807410 /nfs/dbraw/zinc/80/74/10/961807410.db2.gz MLIYHKMNJZNKHP-NVDSNGLKSA-N -1 0 338.492 3.636 20 0 EHADRM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262688927 961809673 /nfs/dbraw/zinc/80/96/73/961809673.db2.gz DKKKTPIJQURIMM-CRWXNKLISA-N -1 0 333.403 3.551 20 0 EHADRM Cc1ccc(C(C)(C)CN(C)C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC000262693660 961810642 /nfs/dbraw/zinc/81/06/42/961810642.db2.gz CVAVPJQIESXTFG-WKILWMFISA-N -1 0 331.456 3.622 20 0 EHADRM Cc1cccc(C2=CCN(C(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)CC2)c1 ZINC000262701651 961814959 /nfs/dbraw/zinc/81/49/59/961814959.db2.gz IFHFGTDKRWXTFT-QAQDUYKDSA-N -1 0 327.424 3.502 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)o1 ZINC001574514097 961833614 /nfs/dbraw/zinc/83/36/14/961833614.db2.gz TVFQDWXWNALPLT-XQMZYZCXSA-N -1 0 345.782 3.707 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000262788846 961866313 /nfs/dbraw/zinc/86/63/13/961866313.db2.gz MYXSEHKRJDMMQF-AUUYWEPGSA-N -1 0 329.396 3.813 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)CCCOc1ccc(F)cc1F ZINC001574524415 961869285 /nfs/dbraw/zinc/86/92/85/961869285.db2.gz NESIFVKYDOPOQN-UHFFFAOYSA-N -1 0 341.335 3.522 20 0 EHADRM C[C@H]1CN(C(=O)C2(c3ccc(F)cc3)CCCCC2)CC[C@H]1C(=O)[O-] ZINC000262819904 961886387 /nfs/dbraw/zinc/88/63/87/961886387.db2.gz BODLOKNNPMYSLG-WMLDXEAASA-N -1 0 347.430 3.597 20 0 EHADRM Cc1cccc(O[C@H](C)C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c1 ZINC000262822465 961888766 /nfs/dbraw/zinc/88/87/66/961888766.db2.gz AWGBVLRULSJFRW-ZIAGYGMSSA-N -1 0 327.380 3.589 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001588847457 961901435 /nfs/dbraw/zinc/90/14/35/961901435.db2.gz RWNPOBYMPFBTRX-WCQYABFASA-N -1 0 345.361 3.672 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCC[C@@H](C2CCCCC2)C1)C(=O)[O-] ZINC001588850471 961920186 /nfs/dbraw/zinc/92/01/86/961920186.db2.gz MVHZDKCJTKCGAI-IAGOWNOFSA-N -1 0 338.492 3.735 20 0 EHADRM CC(C)[C@H](SCc1ccccc1)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000262867592 961936783 /nfs/dbraw/zinc/93/67/83/961936783.db2.gz BCGUDWCVIFPGAH-HNNXBMFYSA-N -1 0 337.485 3.562 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000262877399 961949595 /nfs/dbraw/zinc/94/95/95/961949595.db2.gz VPOVMVDNVMYJBB-WTANOLMUSA-N -1 0 335.419 3.544 20 0 EHADRM CC(C)C[C@@H](CNC(=O)NC[C@H](Cc1ccccc1)C(C)C)C(=O)[O-] ZINC001588853078 961954397 /nfs/dbraw/zinc/95/43/97/961954397.db2.gz VILHNIWTBNKBSS-ROUUACIJSA-N -1 0 348.487 3.547 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1csnc1-c1ccccc1)C(=O)[O-] ZINC001588854409 961961295 /nfs/dbraw/zinc/96/12/95/961961295.db2.gz APHIVAXNWQSEKP-ZDUSSCGKSA-N -1 0 347.440 3.679 20 0 EHADRM CC[C@H](CSC)NC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000262899166 961975734 /nfs/dbraw/zinc/97/57/34/961975734.db2.gz IPSOIOYVRJFTIT-CYBMUJFWSA-N -1 0 343.448 3.923 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)CC(c2ccccc2)c2ccccc2)C1 ZINC000262905602 961983711 /nfs/dbraw/zinc/98/37/11/961983711.db2.gz IWNDIBZLQNWXPH-MSOLQXFVSA-N -1 0 337.419 3.578 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1occc1CSc1ccccc1 ZINC000262923593 962005192 /nfs/dbraw/zinc/00/51/92/962005192.db2.gz FKXUSRCHTQTNIX-DOMZBBRYSA-N -1 0 345.420 3.507 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000262940740 962026502 /nfs/dbraw/zinc/02/65/02/962026502.db2.gz PUUMATQOFOPJJF-KSSFIOAISA-N -1 0 343.398 3.612 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)NC[C@@H]2CCC=CCCC2)c2ccccc21 ZINC001574564489 962028994 /nfs/dbraw/zinc/02/89/94/962028994.db2.gz IWCRSCJZBVGAJG-JLSDUUJJSA-N -1 0 342.439 3.735 20 0 EHADRM Cc1oc(CNC(=O)CCCc2ccc(C3CC3)cc2)cc1C(=O)[O-] ZINC001339509147 962031578 /nfs/dbraw/zinc/03/15/78/962031578.db2.gz JHMCODWXKDGTGZ-UHFFFAOYSA-N -1 0 341.407 3.803 20 0 EHADRM CC(C)CN(Cc1cccc(Cl)c1)C(=O)[C@H](C(=O)[O-])C(C)C ZINC001588870221 962050856 /nfs/dbraw/zinc/05/08/56/962050856.db2.gz AZGZGCSNKOOCCO-OAHLLOKOSA-N -1 0 325.836 3.681 20 0 EHADRM CCC[C@@H](C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000262979965 962070506 /nfs/dbraw/zinc/07/05/06/962070506.db2.gz UFEYBPGOWIJZGZ-QZTJIDSGSA-N -1 0 343.398 3.694 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(-c3ccccc3)[nH]2)cc1 ZINC001340564181 962103324 /nfs/dbraw/zinc/10/33/24/962103324.db2.gz RKBNKGKMAOOWPY-IBGZPJMESA-N -1 0 348.402 3.936 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001574607930 962180260 /nfs/dbraw/zinc/18/02/60/962180260.db2.gz XEXBNYQLWDYHCY-LSDHHAIUSA-N -1 0 339.395 3.628 20 0 EHADRM CCC(CC)[C@@H](C)C(=O)N[C@@](C)(CC(=O)[O-])c1cccc(OC)c1 ZINC000263062091 962201368 /nfs/dbraw/zinc/20/13/68/962201368.db2.gz BHOXMOCQMCQWBH-YJYMSZOUSA-N -1 0 335.444 3.574 20 0 EHADRM CC(C)C[C@H](CNC(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C)CC(=O)[O-] ZINC001588892758 962211404 /nfs/dbraw/zinc/21/14/04/962211404.db2.gz DMPCXZJKOGSYBA-SOUVJXGZSA-N -1 0 326.481 3.637 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])cc1 ZINC000263080063 962223665 /nfs/dbraw/zinc/22/36/65/962223665.db2.gz UTQCHLAZCMCCFV-FZMZJTMJSA-N -1 0 345.361 3.825 20 0 EHADRM Cc1cccc(Oc2ccccc2C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)c1 ZINC000263081288 962224621 /nfs/dbraw/zinc/22/46/21/962224621.db2.gz CYGFZQPRDVHOOG-GDBMZVCRSA-N -1 0 339.391 3.723 20 0 EHADRM CC[C@@H](C)CC(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC000263080746 962225645 /nfs/dbraw/zinc/22/56/45/962225645.db2.gz CWAQMIJKJRCURF-LLVKDONJSA-N -1 0 332.425 3.561 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1ccc(Oc2ccccc2)nc1)C1CCCC1 ZINC001574616919 962226884 /nfs/dbraw/zinc/22/68/84/962226884.db2.gz LKSHURIOSATAPQ-KRWDZBQOSA-N -1 0 340.379 3.703 20 0 EHADRM CC[C@@H](C)[C@H](C(=O)NCc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000263099580 962249976 /nfs/dbraw/zinc/24/99/76/962249976.db2.gz CSOOFOZQZLBEJI-WBMJQRKESA-N -1 0 331.437 3.892 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000263099608 962250597 /nfs/dbraw/zinc/25/05/97/962250597.db2.gz ITNBBFPJOVLEOO-QGZVFWFLSA-N -1 0 327.380 3.536 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1nc2c(s1)CCCCCC2)C1CCCC1 ZINC001574621339 962252428 /nfs/dbraw/zinc/25/24/28/962252428.db2.gz OTQSNLOHBHQRKK-AWEZNQCLSA-N -1 0 336.457 3.632 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)c1C ZINC000263110097 962262095 /nfs/dbraw/zinc/26/20/95/962262095.db2.gz VOJRCCQIXSCQTR-LBPRGKRZSA-N -1 0 344.415 3.824 20 0 EHADRM CC(C)C[C@H](NC(=O)c1cn(CC(C)C)c2ccccc12)C(=O)[O-] ZINC001588905868 962268777 /nfs/dbraw/zinc/26/87/77/962268777.db2.gz TYDBBGVBTPUHBG-INIZCTEOSA-N -1 0 330.428 3.526 20 0 EHADRM CC(C)Cc1ccc(CCCC(=O)NC[C@@H](C(=O)[O-])C(C)C)cc1 ZINC001588905953 962270248 /nfs/dbraw/zinc/27/02/48/962270248.db2.gz BOTUVQJFTIJQIL-GOSISDBHSA-N -1 0 333.472 3.681 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])cc1 ZINC001588906036 962273312 /nfs/dbraw/zinc/27/33/12/962273312.db2.gz GOGVOQPVUFKOBR-RVKKMQEKSA-N -1 0 331.456 3.700 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)Nc2cccnc2C(=O)[O-])c1 ZINC001588906318 962280195 /nfs/dbraw/zinc/28/01/95/962280195.db2.gz YFZKPKOLKRTOEY-ZDUSSCGKSA-N -1 0 326.396 3.721 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000263126915 962280958 /nfs/dbraw/zinc/28/09/58/962280958.db2.gz YNRIQOTYNNFUFR-KRWDZBQOSA-N -1 0 335.400 3.676 20 0 EHADRM C[C@H](CC(F)(F)F)C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC001345754532 962281267 /nfs/dbraw/zinc/28/12/67/962281267.db2.gz FXNZNNCBMLVZIZ-MRVPVSSYSA-N -1 0 345.342 3.804 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000263150233 962303436 /nfs/dbraw/zinc/30/34/36/962303436.db2.gz LTVLBRHOWIOCOJ-HOTGVXAUSA-N -1 0 327.355 3.883 20 0 EHADRM CC(C)Cn1ccc2c1cccc2C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001588911580 962317221 /nfs/dbraw/zinc/31/72/21/962317221.db2.gz FNHISSPVSPGMQP-UHFFFAOYSA-N -1 0 337.379 3.643 20 0 EHADRM CC[C@H](CC(=O)NC(CC)(CC)CC(=O)[O-])c1ccc(OC)cc1 ZINC000263265764 962404787 /nfs/dbraw/zinc/40/47/87/962404787.db2.gz KUMVIAQGNVYEON-CQSZACIVSA-N -1 0 335.444 3.729 20 0 EHADRM CCC[C@@H](C(=O)N[C@@](C)(CC(=O)[O-])c1cccc(OC)c1)C(C)C ZINC000263271376 962409780 /nfs/dbraw/zinc/40/97/80/962409780.db2.gz XNJVGZSSJWLPFE-APWZRJJASA-N -1 0 335.444 3.574 20 0 EHADRM C[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccc(Cl)c2ccccc21 ZINC000263274863 962414716 /nfs/dbraw/zinc/41/47/16/962414716.db2.gz SBYSENAXSSTICH-NWDGAFQWSA-N -1 0 346.814 3.670 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000263309207 962451141 /nfs/dbraw/zinc/45/11/41/962451141.db2.gz FYZPPMBKHJHPES-UHFFFAOYSA-N -1 0 337.828 3.691 20 0 EHADRM O=C([O-])CCCCC(=O)NCc1cccc(Oc2ccccc2)c1 ZINC000263318407 962461061 /nfs/dbraw/zinc/46/10/61/962461061.db2.gz QUGDZARWYOSRSH-UHFFFAOYSA-N -1 0 327.380 3.740 20 0 EHADRM C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)CCCCC(=O)[O-] ZINC000263321282 962463229 /nfs/dbraw/zinc/46/32/29/962463229.db2.gz RLFXCBGRPZAPPL-SNVBAGLBSA-N -1 0 332.227 3.686 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000263324690 962467486 /nfs/dbraw/zinc/46/74/86/962467486.db2.gz JYFUMADYPVONNX-ZDUSSCGKSA-N -1 0 345.826 3.670 20 0 EHADRM Cc1ccc(SC2CCCC2)c(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c1 ZINC000263324383 962468178 /nfs/dbraw/zinc/46/81/78/962468178.db2.gz OHCDNDJYVHDZGC-BETUJISGSA-N -1 0 333.453 3.623 20 0 EHADRM Cc1cccc(OCCN(C)[C@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC001349582106 962472445 /nfs/dbraw/zinc/47/24/45/962472445.db2.gz ULZKQJXLXWTZKV-KRWDZBQOSA-N -1 0 333.815 3.785 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)CC2CC(c3ccccc3)C2)c2ccccc21 ZINC000263335175 962483838 /nfs/dbraw/zinc/48/38/38/962483838.db2.gz NHINZXHMCPJRED-PVARCSIZSA-N -1 0 335.403 3.785 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000263343043 962495204 /nfs/dbraw/zinc/49/52/04/962495204.db2.gz YDUMXCPNWUAKTN-AWEZNQCLSA-N -1 0 341.860 3.602 20 0 EHADRM CCO[C@@H](C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC000263357341 962514177 /nfs/dbraw/zinc/51/41/77/962514177.db2.gz XISIMOIVGYKIMF-SUMWQHHRSA-N -1 0 327.380 3.591 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)c1 ZINC000263359078 962516024 /nfs/dbraw/zinc/51/60/24/962516024.db2.gz XVKBDUYLXWCYFA-GDLCADMTSA-N -1 0 345.345 3.895 20 0 EHADRM O=C([O-])CC1(C(=O)N2CC=C(c3cccc(Cl)c3)CC2)CCC1 ZINC001574666496 962517428 /nfs/dbraw/zinc/51/74/28/962517428.db2.gz BASPUZXDUBNMEZ-UHFFFAOYSA-N -1 0 333.815 3.601 20 0 EHADRM COc1cccc(CCC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c1F ZINC000263364048 962522206 /nfs/dbraw/zinc/52/22/06/962522206.db2.gz ZEQWQZJAVQSUNU-GFCCVEGCSA-N -1 0 345.370 3.594 20 0 EHADRM C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1nc(C2CCCCC2)no1 ZINC000263419210 962590119 /nfs/dbraw/zinc/59/01/19/962590119.db2.gz OGQKHPMWAMNJCQ-GFCCVEGCSA-N -1 0 329.400 3.666 20 0 EHADRM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2cc(C(=O)[O-])ccn2)o1 ZINC000263426465 962601276 /nfs/dbraw/zinc/60/12/76/962601276.db2.gz RJYGMDSITDVRQB-MLGOLLRUSA-N -1 0 342.395 3.549 20 0 EHADRM O=C([O-])CCCNC(=O)N1CC=C(c2cccc3ccccc32)CC1 ZINC000263441630 962622157 /nfs/dbraw/zinc/62/21/57/962622157.db2.gz DRXWRCAMQALCDE-UHFFFAOYSA-N -1 0 338.407 3.503 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000263444763 962628588 /nfs/dbraw/zinc/62/85/88/962628588.db2.gz QNSZNMULFLGSJQ-MRXNPFEDSA-N -1 0 339.391 3.507 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000263452257 962639611 /nfs/dbraw/zinc/63/96/11/962639611.db2.gz SSDUGQKGSVEJOQ-ZDUSSCGKSA-N -1 0 341.407 3.585 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@@H]1CCc2c1cccc2Cl ZINC001574692460 962651279 /nfs/dbraw/zinc/65/12/79/962651279.db2.gz RMCCBAWJSAXRGL-SWLSCSKDSA-N -1 0 335.831 3.616 20 0 EHADRM CC(C)c1cccc2c1CCN(C(=O)c1coc(/C=C\C(=O)[O-])c1)C2 ZINC001588969458 962662864 /nfs/dbraw/zinc/66/28/64/962662864.db2.gz ILVIMYYILOXJRG-SREVYHEPSA-N -1 0 339.391 3.699 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000263486833 962670964 /nfs/dbraw/zinc/67/09/64/962670964.db2.gz VTIMDCBYNGZIOK-KRWDZBQOSA-N -1 0 333.771 3.679 20 0 EHADRM CCOc1cc(CNc2cccc(CCC(=O)[O-])c2)ccc1OC ZINC000263503813 962685246 /nfs/dbraw/zinc/68/52/46/962685246.db2.gz LJRNIJOBACNGPD-UHFFFAOYSA-N -1 0 329.396 3.723 20 0 EHADRM Cc1cc(C(=O)NCC2(C(=O)[O-])CC2)sc1-c1cccc(Cl)c1 ZINC000263512115 962693898 /nfs/dbraw/zinc/69/38/98/962693898.db2.gz CRLPVXDGOYSZRJ-UHFFFAOYSA-N -1 0 349.839 3.972 20 0 EHADRM CC(C)c1sc(NC(=O)NCCC(=O)[O-])nc1-c1ccccc1 ZINC001588980922 962721382 /nfs/dbraw/zinc/72/13/82/962721382.db2.gz NBAWOCLIVIQFGB-UHFFFAOYSA-N -1 0 333.413 3.530 20 0 EHADRM C[C@@H](CCC(=O)NCCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000263555315 962726397 /nfs/dbraw/zinc/72/63/97/962726397.db2.gz YNVRKESYPKKDCO-HNNXBMFYSA-N -1 0 325.408 3.627 20 0 EHADRM CC[C@@H]1Cc2ccccc2CN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000263569831 962734446 /nfs/dbraw/zinc/73/44/46/962734446.db2.gz HTOWQKPCXPYKCN-LJQANCHMSA-N -1 0 337.419 3.681 20 0 EHADRM CC(C)Oc1ccc2ccccc2c1CNC(=O)CCCCC(=O)[O-] ZINC000263571801 962738247 /nfs/dbraw/zinc/73/82/47/962738247.db2.gz JXTDMJKEBCLOMU-UHFFFAOYSA-N -1 0 343.423 3.888 20 0 EHADRM COc1cc(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)c2ccccc2n1 ZINC001574177415 962800219 /nfs/dbraw/zinc/80/02/19/962800219.db2.gz CDDGUGMCVABJQP-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM Cc1ccc(NC(=O)c2cccn2Cc2ccccc2)cc1C(=O)[O-] ZINC000301314129 963066342 /nfs/dbraw/zinc/06/63/42/963066342.db2.gz UDVOXHHEZGYKLG-UHFFFAOYSA-N -1 0 334.375 3.795 20 0 EHADRM CCCC[C@H](C)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000302481413 963088868 /nfs/dbraw/zinc/08/88/68/963088868.db2.gz YTGAWBNOYNEWQR-VIFPVBQESA-N -1 0 328.206 3.912 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cc(Cl)cc(Br)c2)C1 ZINC000308309412 963265982 /nfs/dbraw/zinc/26/59/82/963265982.db2.gz DOTVQBIOJJDRMW-JGVFFNPUSA-N -1 0 346.608 3.542 20 0 EHADRM O=C([O-])c1sccc1NC(=O)CCc1nc2ccccc2s1 ZINC000314483324 963759246 /nfs/dbraw/zinc/75/92/46/963759246.db2.gz MERDTRDNOUDHGW-UHFFFAOYSA-N -1 0 332.406 3.627 20 0 EHADRM C[C@@H](N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1OC(F)F ZINC000314734324 963799349 /nfs/dbraw/zinc/79/93/49/963799349.db2.gz BBYPBUDHHWYWFB-BDAKNGLRSA-N -1 0 342.367 3.855 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2ccc3ncsc3c2)s1 ZINC000315714042 963929295 /nfs/dbraw/zinc/92/92/95/963929295.db2.gz QVJGHIAFEMTMOX-UHFFFAOYSA-N -1 0 332.406 3.871 20 0 EHADRM CN(Cc1ccc(Cl)s1)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000316746700 964049743 /nfs/dbraw/zinc/04/97/43/964049743.db2.gz SPULGDYYEPBYRA-UHFFFAOYSA-N -1 0 344.864 3.578 20 0 EHADRM CCc1cc(Br)ccc1NC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC000164120781 967663707 /nfs/dbraw/zinc/66/37/07/967663707.db2.gz UBSXXAGLRKZVRJ-GFCCVEGCSA-N -1 0 342.233 3.697 20 0 EHADRM C[C@@H](C(=O)N([C@H](C)C(=O)[O-])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000262566419 967823338 /nfs/dbraw/zinc/82/33/38/967823338.db2.gz BKGYSRZQHIUWKY-RKDXNWHRSA-N -1 0 330.211 3.561 20 0 EHADRM C[C@@H](CC(=O)NCCC(C)(C)C(=O)[O-])Cc1ccc(Cl)cc1 ZINC000263166587 967856718 /nfs/dbraw/zinc/85/67/18/967856718.db2.gz YLCOXXWRRKCTCF-GFCCVEGCSA-N -1 0 325.836 3.526 20 0 EHADRM Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)CCCCC(=O)[O-] ZINC000263326430 967871408 /nfs/dbraw/zinc/87/14/08/967871408.db2.gz SVXCKULINAFAJI-UHFFFAOYSA-N -1 0 334.416 3.563 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000315660709 967974586 /nfs/dbraw/zinc/97/45/86/967974586.db2.gz UWWKVZIVJDLZFQ-NWDGAFQWSA-N -1 0 341.860 3.534 20 0 EHADRM Cc1[nH]c2ccc(C(=O)N3CCc4ccccc4[C@@H]3C(=O)[O-])cc2c1C ZINC000362662335 968055771 /nfs/dbraw/zinc/05/57/71/968055771.db2.gz HTSWXYREVRNLLK-LJQANCHMSA-N -1 0 348.402 3.609 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)CC1 ZINC000364193716 968056031 /nfs/dbraw/zinc/05/60/31/968056031.db2.gz FDOQURYBSOQJRT-MSOLQXFVSA-N -1 0 337.419 3.657 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)CCc1nc2ccccc2s1)C(=O)[O-] ZINC000449135757 968377198 /nfs/dbraw/zinc/37/71/98/968377198.db2.gz RIWZELDXGVMPPF-ZDUSSCGKSA-N -1 0 348.468 3.625 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000533189995 968401038 /nfs/dbraw/zinc/40/10/38/968401038.db2.gz YNLDKTBVSUUZPH-LLVKDONJSA-N -1 0 335.400 3.676 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000532874737 968401132 /nfs/dbraw/zinc/40/11/32/968401132.db2.gz TVBJSSSQRBOIQX-WBVHZDCISA-N -1 0 347.455 3.681 20 0 EHADRM Cc1oc(-c2ccccc2)c(C(=O)NCC2(C(=O)[O-])CCC2)c1C ZINC000562697040 968412988 /nfs/dbraw/zinc/41/29/88/968412988.db2.gz SSUHFZGMIMBTKE-UHFFFAOYSA-N -1 0 327.380 3.548 20 0 EHADRM CC1CC(C(=O)NCCC(C)(C)C(=O)[O-])(c2cccc(Cl)c2)C1 ZINC000566021013 968425584 /nfs/dbraw/zinc/42/55/84/968425584.db2.gz KTNLJZSCKNCECG-UHFFFAOYSA-N -1 0 337.847 3.625 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(OCC2CCCCC2)cc1)C(=O)[O-] ZINC000573635500 968453485 /nfs/dbraw/zinc/45/34/85/968453485.db2.gz KELWSYKRADMFMF-INIZCTEOSA-N -1 0 334.416 3.630 20 0 EHADRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000621706857 968512371 /nfs/dbraw/zinc/51/23/71/968512371.db2.gz FFDFVPLTEIOKKC-LBPRGKRZSA-N -1 0 334.803 3.599 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1cc(C(F)F)ccc1F)CC(=O)[O-] ZINC000621708371 968513243 /nfs/dbraw/zinc/51/32/43/968513243.db2.gz QIJNMJQZBAPPJE-JTQLQIEISA-N -1 0 331.334 3.630 20 0 EHADRM C[C@@H]1CN(C(=O)N[C@H]2CCC(C)(C)c3ccccc32)CC[C@@H]1C(=O)[O-] ZINC000626749305 968516074 /nfs/dbraw/zinc/51/60/74/968516074.db2.gz BHJCQPMHDJTDQB-KEYYUXOJSA-N -1 0 344.455 3.551 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)C2CC3(CCC3)C2)CC1 ZINC000647732442 968580061 /nfs/dbraw/zinc/58/00/61/968580061.db2.gz IDEPRGPUFCKGAH-UHFFFAOYSA-N -1 0 327.424 3.671 20 0 EHADRM C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655883175 968704598 /nfs/dbraw/zinc/70/45/98/968704598.db2.gz VJNCPBLTLMBCFT-UONOGXRCSA-N -1 0 346.452 3.742 20 0 EHADRM Cc1ccc(C)c([C@H]2CCCN2C(=O)NC[C@H](C(=O)[O-])C(C)C)c1 ZINC000655894048 968707210 /nfs/dbraw/zinc/70/72/10/968707210.db2.gz UYCPRKYJDKIBKM-DLBZAZTESA-N -1 0 332.444 3.507 20 0 EHADRM C[C@@H]1CN(C(=O)c2sccc2-c2ccc(F)cc2)CC[C@H]1C(=O)[O-] ZINC000823340626 969204523 /nfs/dbraw/zinc/20/45/23/969204523.db2.gz KIJBOKIKNNKDBO-BXUZGUMPSA-N -1 0 347.411 3.737 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000902027474 969509817 /nfs/dbraw/zinc/50/98/17/969509817.db2.gz ABDYGGZSYVAFBT-FPYNETTCSA-N -1 0 349.393 3.607 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)c1cc2c(cncc2Cl)s1 ZINC000902075737 969515174 /nfs/dbraw/zinc/51/51/74/969515174.db2.gz CUGCNJJVEGSBSP-UHFFFAOYSA-N -1 0 340.832 3.523 20 0 EHADRM CC(C)(C)NC(=O)c1ccc(NCc2ccc(C(=O)[O-])s2)cc1 ZINC000903686498 969586456 /nfs/dbraw/zinc/58/64/56/969586456.db2.gz LALCCSWZTKELBD-UHFFFAOYSA-N -1 0 332.425 3.587 20 0 EHADRM CCCc1nc(C)c(NC(=O)N2CCC[C@](CC)(C(=O)[O-])C2)s1 ZINC000926098800 969658038 /nfs/dbraw/zinc/65/80/38/969658038.db2.gz DSPOJTSZRQHFAV-INIZCTEOSA-N -1 0 339.461 3.513 20 0 EHADRM CC(C)N(CCc1ccccc1)C(=O)NCc1ccccc1C(=O)[O-] ZINC001263071304 969695838 /nfs/dbraw/zinc/69/58/38/969695838.db2.gz WFERFYISKLLIJD-UHFFFAOYSA-N -1 0 340.423 3.548 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001345885291 969762636 /nfs/dbraw/zinc/76/26/36/969762636.db2.gz PFMHSEXSVJONJH-UHFFFAOYSA-N -1 0 327.380 3.700 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)NC(C2CCCC2)C2CCCC2)C1 ZINC001521187380 969788272 /nfs/dbraw/zinc/78/82/72/969788272.db2.gz LJRALXZQMWFJST-CQSZACIVSA-N -1 0 336.476 3.632 20 0 EHADRM O=C([O-])c1ccc2c(c1)N(C(=O)c1ccc(Cl)cc1Cl)CC2 ZINC000317487418 970364670 /nfs/dbraw/zinc/36/46/70/970364670.db2.gz JWDPLHAPJWOHCA-UHFFFAOYSA-N -1 0 336.174 3.895 20 0 EHADRM O=C([O-])Cc1ccccc1CNC(=O)c1ccc(Cl)cc1Cl ZINC000318894367 970485672 /nfs/dbraw/zinc/48/56/72/970485672.db2.gz IQAIIMSKDUTSNB-UHFFFAOYSA-N -1 0 338.190 3.551 20 0 EHADRM Cc1cc(NC(=O)c2cc(-c3ccccc3)on2)sc1C(=O)[O-] ZINC000319885919 970585100 /nfs/dbraw/zinc/58/51/00/970585100.db2.gz AKCSALAZFLKQTB-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM COc1cc(NC(=O)c2ccc(C(=O)[O-])cn2)c(C2CC2)cc1Cl ZINC001599442548 970658287 /nfs/dbraw/zinc/65/82/87/970658287.db2.gz UXUBIWDOUUTQBC-UHFFFAOYSA-N -1 0 346.770 3.572 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000320588005 970682232 /nfs/dbraw/zinc/68/22/32/970682232.db2.gz BTOORUIIQRFLSS-XHSDSOJGSA-N -1 0 335.831 3.895 20 0 EHADRM Cc1ccc(SCC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)cc1 ZINC000320631098 970687767 /nfs/dbraw/zinc/68/77/67/970687767.db2.gz GIGVNUDNAQAWND-UHFFFAOYSA-N -1 0 347.461 3.974 20 0 EHADRM O=C([O-])c1ccc(S(=O)(=O)Cc2cccc3ccccc32)cc1 ZINC000320674337 970696832 /nfs/dbraw/zinc/69/68/32/970696832.db2.gz NRYXFKUOCQXFBK-UHFFFAOYSA-N -1 0 326.373 3.512 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cccc(OC3CCCC3)c2)ccc1O ZINC001605854931 972600100 /nfs/dbraw/zinc/60/01/00/972600100.db2.gz BWKFCVJXHRVXPT-UHFFFAOYSA-N -1 0 341.363 3.664 20 0 EHADRM C[C@H](NC(=O)c1ccsc1CC(=O)[O-])c1ccc(Cl)s1 ZINC000393501201 972605298 /nfs/dbraw/zinc/60/52/98/972605298.db2.gz LIVZEEUJTLOVAD-ZETCQYMHSA-N -1 0 329.830 3.581 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Oc1ccc(Br)cc1Cl ZINC001603323609 972659448 /nfs/dbraw/zinc/65/94/48/972659448.db2.gz DOWKHPNTTOFWCI-CYBMUJFWSA-N -1 0 347.592 3.509 20 0 EHADRM O=C([O-])c1c(NC(=O)c2sccc2C2CC2)sc2c1COCC2 ZINC001605878924 972662508 /nfs/dbraw/zinc/66/25/08/972662508.db2.gz SCILRYYOLCXVDV-UHFFFAOYSA-N -1 0 349.433 3.710 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1ccc(OCC2CCCCC2)cc1)C1CC1 ZINC001605900655 972726450 /nfs/dbraw/zinc/72/64/50/972726450.db2.gz FQUWNMLQJWBMLL-KRWDZBQOSA-N -1 0 331.412 3.695 20 0 EHADRM C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001603354404 972788943 /nfs/dbraw/zinc/78/89/43/972788943.db2.gz IMWQHEUFYKRGAN-MFKMUULPSA-N -1 0 344.333 3.508 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@@H]2CCc3cc(F)c(F)c(F)c32)c1 ZINC001605138831 972804390 /nfs/dbraw/zinc/80/43/90/972804390.db2.gz QPUDBPXGRZUVPM-CYBMUJFWSA-N -1 0 349.308 3.528 20 0 EHADRM O=C([O-])C1(C(=O)NCCc2cccc3ccccc32)CCCCC1 ZINC001605928551 972844759 /nfs/dbraw/zinc/84/47/59/972844759.db2.gz JWNXZZOGLLCGTN-UHFFFAOYSA-N -1 0 325.408 3.534 20 0 EHADRM Cc1cc([C@H](C)NC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c(C)o1 ZINC000396388209 972870199 /nfs/dbraw/zinc/87/01/99/972870199.db2.gz PVJGTVXSEPOTEA-NEPJUHHUSA-N -1 0 330.384 3.967 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000396433392 972884976 /nfs/dbraw/zinc/88/49/76/972884976.db2.gz JQXMEQIDKURQRU-PWSUYJOCSA-N -1 0 344.333 3.681 20 0 EHADRM Cc1cnc([C@H](C)NC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)s1 ZINC000396438025 972888084 /nfs/dbraw/zinc/88/80/84/972888084.db2.gz MGXZJZQXQHGJRK-QWRGUYRKSA-N -1 0 333.413 3.522 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NC[C@@H]2CCCCC2(F)F)cc1 ZINC000396508015 972909674 /nfs/dbraw/zinc/90/96/74/972909674.db2.gz QUNAHLNDLHBOHD-AAEUAGOBSA-N -1 0 340.370 3.822 20 0 EHADRM Cc1cc(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)ccc1OC(C)C ZINC001605192227 972910666 /nfs/dbraw/zinc/91/06/66/972910666.db2.gz FMVIDPPYHLIHQP-TWGQIWQCSA-N -1 0 329.352 3.725 20 0 EHADRM COc1ccccc1CN(C)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000396515188 972910789 /nfs/dbraw/zinc/91/07/89/972910789.db2.gz SWLKJQINVOZEGU-ZDUSSCGKSA-N -1 0 342.395 3.547 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NC(C)(C)c2ccccc2)cc1 ZINC000396615077 972923267 /nfs/dbraw/zinc/92/32/67/972923267.db2.gz IPPQFHFHBHLHQF-CYBMUJFWSA-N -1 0 326.396 3.932 20 0 EHADRM Cc1cc(NC(=O)NCC2([C@H]3CCCCO3)CCC2)ccc1C(=O)[O-] ZINC001605202696 972945471 /nfs/dbraw/zinc/94/54/71/972945471.db2.gz SOACUKFVVNNHFF-MRXNPFEDSA-N -1 0 346.427 3.554 20 0 EHADRM Cc1cc(NC(=O)Nc2cccc(-c3cc[nH]n3)c2)ccc1C(=O)[O-] ZINC001605207423 972950524 /nfs/dbraw/zinc/95/05/24/972950524.db2.gz VLHCHMLZVOUQGD-UHFFFAOYSA-N -1 0 336.351 3.727 20 0 EHADRM Cc1ccc(-c2csc(NC(=O)[C@@H](C(=O)[O-])C(C)C)n2)cc1C ZINC001605231541 972981553 /nfs/dbraw/zinc/98/15/53/972981553.db2.gz NSZQOAQWBMLBCP-AWEZNQCLSA-N -1 0 332.425 3.722 20 0 EHADRM Cc1ccc(-c2ncccc2NC(=O)N[C@@H](CC(C)C)C(=O)[O-])s1 ZINC001605237611 972991874 /nfs/dbraw/zinc/99/18/74/972991874.db2.gz FXSDZHUKPOTLJF-ZDUSSCGKSA-N -1 0 347.440 3.739 20 0 EHADRM Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC[C@]1(C)C(=O)[O-] ZINC001605237880 972994706 /nfs/dbraw/zinc/99/47/06/972994706.db2.gz QWFDIVXPYYCQTM-GOSISDBHSA-N -1 0 344.436 3.506 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2ccnc(C(=O)[O-])c2)o1 ZINC001605263580 973043318 /nfs/dbraw/zinc/04/33/18/973043318.db2.gz YGADGWDCMLCMNF-ABAIWWIYSA-N -1 0 343.383 3.686 20 0 EHADRM Cc1ccc(CCCNC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c(C)c1 ZINC001605270613 973049578 /nfs/dbraw/zinc/04/95/78/973049578.db2.gz DETXVSQGFXOMFJ-KRWDZBQOSA-N -1 0 346.471 3.522 20 0 EHADRM O=C([O-])[C@H]1CCCN(c2ccc(CN3CCCc4ccccc43)o2)C1 ZINC001605997266 973063452 /nfs/dbraw/zinc/06/34/52/973063452.db2.gz AXTRFILTOOERNY-INIZCTEOSA-N -1 0 340.423 3.533 20 0 EHADRM COC(=O)c1cc(NCc2ccc(C(=O)[O-])s2)ccc1SC ZINC001604376155 973093909 /nfs/dbraw/zinc/09/39/09/973093909.db2.gz NASIEBBELXAZKB-UHFFFAOYSA-N -1 0 337.422 3.567 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC001605320170 973152435 /nfs/dbraw/zinc/15/24/35/973152435.db2.gz BELLHPXJDHALHS-RYUDHWBXSA-N -1 0 331.318 3.714 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2cscc2C(F)F)C(=O)[O-])c1 ZINC001605328033 973176639 /nfs/dbraw/zinc/17/66/39/973176639.db2.gz JYEXVRPWSJWLPN-GFCCVEGCSA-N -1 0 325.336 3.550 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)O[C@@H](C2CCCC2)C(F)(F)F)co1 ZINC001606063505 973191181 /nfs/dbraw/zinc/19/11/81/973191181.db2.gz BJTIIPKOUJLPJD-GFUIURDCSA-N -1 0 332.274 3.655 20 0 EHADRM O=C([O-])CC1(NC(=O)Cc2c[nH]c3cccc(Cl)c23)CCCCC1 ZINC001606079993 973238760 /nfs/dbraw/zinc/23/87/60/973238760.db2.gz WGPVOGBHNUIWTM-UHFFFAOYSA-N -1 0 348.830 3.658 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)N1CCC(Cc2ccccc2)CC1)C(=O)[O-] ZINC000400690137 973309044 /nfs/dbraw/zinc/30/90/44/973309044.db2.gz BBVUDUFLOLZPKH-QAPCUYQASA-N -1 0 346.471 3.540 20 0 EHADRM Cc1ccsc1CCCC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001605367350 973310739 /nfs/dbraw/zinc/31/07/39/973310739.db2.gz QSLVMUWVUICTRQ-MELADBBJSA-N -1 0 337.485 3.631 20 0 EHADRM Cc1cncc(C(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)c1 ZINC001605376351 973332561 /nfs/dbraw/zinc/33/25/61/973332561.db2.gz WOWVBCXXONTYBI-VIFPVBQESA-N -1 0 330.409 3.527 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)NCC1CC(c2ccccc2)C1 ZINC001606116873 973346580 /nfs/dbraw/zinc/34/65/80/973346580.db2.gz QHDXFIOITDUTSX-VJFUWPCTSA-N -1 0 344.455 3.609 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cc(-c2ccccc2)ccn1 ZINC001606118832 973358757 /nfs/dbraw/zinc/35/87/57/973358757.db2.gz SWLVWYQFIJXJSN-KRWDZBQOSA-N -1 0 338.407 3.608 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000401371572 973359348 /nfs/dbraw/zinc/35/93/48/973359348.db2.gz WDBAWRYDIBLSON-GFCCVEGCSA-N -1 0 332.227 3.542 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)CSCc1ccc(Cl)cc1)C(=O)[O-] ZINC000401417306 973363175 /nfs/dbraw/zinc/36/31/75/973363175.db2.gz CYZNAEJXLKODHJ-CYBMUJFWSA-N -1 0 343.876 3.579 20 0 EHADRM CCC(C)(C)c1ccc(NC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)cc1 ZINC001603508321 973491558 /nfs/dbraw/zinc/49/15/58/973491558.db2.gz MHGBWBNIUJRZKV-CZUORRHYSA-N -1 0 333.428 3.583 20 0 EHADRM CC[C@@H](C)c1ncc(NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cn1 ZINC001603515570 973520226 /nfs/dbraw/zinc/52/02/26/973520226.db2.gz COWNJFDSQNVTCQ-SNVBAGLBSA-N -1 0 328.372 3.641 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N(C)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001603520145 973546056 /nfs/dbraw/zinc/54/60/56/973546056.db2.gz PTIRVXFPENFLJQ-CVEARBPZSA-N -1 0 347.455 3.582 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Oc1ccc(C)c(Br)c1 ZINC001603526934 973570547 /nfs/dbraw/zinc/57/05/47/973570547.db2.gz LLHJZSHXEYYGKE-UHFFFAOYSA-N -1 0 329.190 3.554 20 0 EHADRM CCC(CC)(CNC(=O)N[C@]1(c2ccccc2)CC1(C)C)C(=O)[O-] ZINC001603535449 973588293 /nfs/dbraw/zinc/58/82/93/973588293.db2.gz ODLCROXWBRBUFR-IBGZPJMESA-N -1 0 332.444 3.502 20 0 EHADRM CCC(CC)(CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1C)C(=O)[O-] ZINC001603535461 973588583 /nfs/dbraw/zinc/58/85/83/973588583.db2.gz ORCOJTFZRHGADQ-XJKSGUPXSA-N -1 0 332.444 3.500 20 0 EHADRM Cn1cc(-c2csc(NC(=O)[C@@H]3CCCC3(C)C)c2C(=O)[O-])cn1 ZINC001605477437 973595509 /nfs/dbraw/zinc/59/55/09/973595509.db2.gz VYRGOGYCQDESQC-LBPRGKRZSA-N -1 0 347.440 3.612 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C(C)(C)c2ccccc2Cl)C1 ZINC001603594350 973821696 /nfs/dbraw/zinc/82/16/96/973821696.db2.gz VDEOZYRQQAGBCX-SFHVURJKSA-N -1 0 337.847 3.721 20 0 EHADRM O=C([O-])c1ccc(CNCc2ccccc2OC(F)F)nc1C1CC1 ZINC000417695353 973966928 /nfs/dbraw/zinc/96/69/28/973966928.db2.gz BHRWFRDFQGPZGR-UHFFFAOYSA-N -1 0 348.349 3.548 20 0 EHADRM CCCC1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)CC1 ZINC001603635726 973970556 /nfs/dbraw/zinc/97/05/56/973970556.db2.gz IYXAFUGGRKRGRN-SJORKVTESA-N -1 0 330.428 3.521 20 0 EHADRM O=C([O-])c1cccc(C(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC001606508574 973999275 /nfs/dbraw/zinc/99/92/75/973999275.db2.gz QWJSLYDJPLIFSM-SUMWQHHRSA-N -1 0 327.355 3.590 20 0 EHADRM O=C([O-])c1cccc(CNc2nc3c(cccc3Br)[nH]2)c1 ZINC001606518261 974015792 /nfs/dbraw/zinc/01/57/92/974015792.db2.gz POHKWBPQUGCHNR-UHFFFAOYSA-N -1 0 346.184 3.636 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000424524618 974037803 /nfs/dbraw/zinc/03/78/03/974037803.db2.gz LGJFSZUQDRRIHX-INIZCTEOSA-N -1 0 325.408 3.830 20 0 EHADRM O=C([O-])[C@@H](NCc1csc(-c2ccccc2)n1)c1cccs1 ZINC000426797582 974048037 /nfs/dbraw/zinc/04/80/37/974048037.db2.gz GFSAFNJPPMRIJS-AWEZNQCLSA-N -1 0 330.434 3.787 20 0 EHADRM CCCN(Cc1ccc(C)cc1)C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001603672340 974048999 /nfs/dbraw/zinc/04/89/99/974048999.db2.gz DPOPGYHMBPFOQA-HJWRWDBZSA-N -1 0 327.380 3.738 20 0 EHADRM COCc1cc(NC(=O)[C@@H](C)c2cccc(C)c2)cc(C(=O)[O-])c1 ZINC000427689378 974055670 /nfs/dbraw/zinc/05/56/70/974055670.db2.gz OQFRUVOHRAWLQX-ZDUSSCGKSA-N -1 0 327.380 3.582 20 0 EHADRM CCC[C@](C)(NC(=O)CCCc1ccc2ccccc2c1)C(=O)[O-] ZINC000431458577 974065688 /nfs/dbraw/zinc/06/56/88/974065688.db2.gz LPOLYGFJQBRETK-FQEVSTJZSA-N -1 0 327.424 3.922 20 0 EHADRM O=C(C[C@H]1CC[C@@H](C2CC2)O1)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001605669580 974075071 /nfs/dbraw/zinc/07/50/71/974075071.db2.gz KMKLVRYEWGHADC-YPMHNXCESA-N -1 0 349.452 3.611 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1)C(=O)[O-] ZINC000431991190 974081978 /nfs/dbraw/zinc/08/19/78/974081978.db2.gz JPSLSTYARBRSJW-LLVKDONJSA-N -1 0 340.354 3.823 20 0 EHADRM C[C@]1(NC(=O)c2ccc(-c3ccccc3F)o2)CCCC[C@H]1C(=O)[O-] ZINC000432089640 974083700 /nfs/dbraw/zinc/08/37/00/974083700.db2.gz OYANFPDMNUAQOD-DJJJIMSYSA-N -1 0 345.370 3.849 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)CSc2ccc(F)cc2)cc1)C(=O)[O-] ZINC000432002590 974084400 /nfs/dbraw/zinc/08/44/00/974084400.db2.gz WGPAGNTXKYVKES-LBPRGKRZSA-N -1 0 347.411 3.820 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2cccc(-n3cccc3)c2)cc1)C(=O)[O-] ZINC000432007521 974084417 /nfs/dbraw/zinc/08/44/17/974084417.db2.gz NQNVUYPEPXGVSC-OAHLLOKOSA-N -1 0 348.402 3.993 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N[C@@H](CC2CCC2)c2ccccc2)c1 ZINC000432120827 974088898 /nfs/dbraw/zinc/08/88/98/974088898.db2.gz SIUPQPIMPRZCHM-IBGZPJMESA-N -1 0 337.419 3.975 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])cc1 ZINC000432124710 974090323 /nfs/dbraw/zinc/09/03/23/974090323.db2.gz BLSPMPLXGVPONW-CFLQYTFWSA-N -1 0 331.456 3.892 20 0 EHADRM C[C@@H](CC1CCCC1)C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000432124701 974090507 /nfs/dbraw/zinc/09/05/07/974090507.db2.gz BKUVSYHYXARGTR-YJBOKZPZSA-N -1 0 331.456 3.795 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)CCc2ccc(F)c3ccccc23)c1 ZINC001605687142 974100965 /nfs/dbraw/zinc/10/09/65/974100965.db2.gz DYGBSEJLFMXEES-UHFFFAOYSA-N -1 0 338.338 3.643 20 0 EHADRM CCc1ccsc1C(=O)N[C@@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC000448990024 974129018 /nfs/dbraw/zinc/12/90/18/974129018.db2.gz HPNCHHOJEZILSL-KRWDZBQOSA-N -1 0 335.400 3.570 20 0 EHADRM CC[C@H](C(=O)N[C@](C)(CC(=O)[O-])c1cccc(F)c1)c1ccccc1 ZINC000448995666 974134465 /nfs/dbraw/zinc/13/44/65/974134465.db2.gz FAMKKXFFDHHLNS-FXAWDEMLSA-N -1 0 343.398 3.826 20 0 EHADRM Cc1ccc(C)c(C(=O)N[C@@](C)(CC(=O)[O-])c2cccc(F)c2)c1 ZINC000449006709 974144480 /nfs/dbraw/zinc/14/44/80/974144480.db2.gz ZJEOIXHKPNLPCU-IBGZPJMESA-N -1 0 329.371 3.562 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cnc(C(C)(C)C)s1 ZINC000455894821 974164529 /nfs/dbraw/zinc/16/45/29/974164529.db2.gz JNYMNXYSAWXXHF-GFCCVEGCSA-N -1 0 346.452 3.556 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N[C@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000455894503 974164705 /nfs/dbraw/zinc/16/47/05/974164705.db2.gz BOQWWPHNNOJJFN-DYVFJYSZSA-N -1 0 345.826 3.710 20 0 EHADRM COc1cc(Cl)ccc1C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000472016105 974199485 /nfs/dbraw/zinc/19/94/85/974199485.db2.gz IKSIBYZCEKYXIL-UHFFFAOYSA-N -1 0 333.771 3.916 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCCc2ccc3ccccc3c2)c(F)c1 ZINC000478832465 974209476 /nfs/dbraw/zinc/20/94/76/974209476.db2.gz GQUHQIZAYIJRPT-UHFFFAOYSA-N -1 0 337.350 3.650 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2OCC2CC2)c(F)c1 ZINC000478843246 974210046 /nfs/dbraw/zinc/21/00/46/974210046.db2.gz OQSFAQIFABMABK-UHFFFAOYSA-N -1 0 329.327 3.565 20 0 EHADRM COc1ccc(C2(C(=O)Nc3cccc(C(=O)[O-])c3)CCCC2)cc1 ZINC000486201812 974245594 /nfs/dbraw/zinc/24/55/94/974245594.db2.gz AHZVJXAIUYQJGZ-UHFFFAOYSA-N -1 0 339.391 3.844 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)[C@H](C)CC2CCCCC2)C(=O)[O-])cc1 ZINC000486384097 974247670 /nfs/dbraw/zinc/24/76/70/974247670.db2.gz BBNKEDPFDVASCJ-CRAIPNDOSA-N -1 0 331.456 3.886 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)/C=C\c2nc3ccccc3s2)c1 ZINC000492384020 974258229 /nfs/dbraw/zinc/25/82/29/974258229.db2.gz CXZCULHMLYVPRH-FPLPWBNLSA-N -1 0 342.351 3.786 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC(=Cc3cccc(F)c3)CC2)cc1 ZINC000506791153 974274058 /nfs/dbraw/zinc/27/40/58/974274058.db2.gz WXOBBRHHDOVXAN-UHFFFAOYSA-N -1 0 339.366 3.844 20 0 EHADRM Cc1cc(NCc2ccc(OC[C@H]3CCCO3)cc2)ccc1C(=O)[O-] ZINC000515802099 974301189 /nfs/dbraw/zinc/30/11/89/974301189.db2.gz YYXWVZQPXPSZKY-GOSISDBHSA-N -1 0 341.407 3.863 20 0 EHADRM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000515672591 974301289 /nfs/dbraw/zinc/30/12/89/974301289.db2.gz FIULKWOYHNTKDK-NVXWUHKLSA-N -1 0 333.428 3.628 20 0 EHADRM CC(C)c1noc(-c2ccnc(NCC3(C(=O)[O-])CCCCC3)c2)n1 ZINC000516185145 974305185 /nfs/dbraw/zinc/30/51/85/974305185.db2.gz SVUDOUSFYCPSLX-UHFFFAOYSA-N -1 0 344.415 3.702 20 0 EHADRM Cc1cccc(Oc2ncccc2NC(=O)C[C@H](C)CC(=O)[O-])c1C ZINC000517390732 974318390 /nfs/dbraw/zinc/31/83/90/974318390.db2.gz KFOHQAXIXKCRNP-LBPRGKRZSA-N -1 0 342.395 3.930 20 0 EHADRM C[C@@H](NC(=O)C[C@H](C)CC(=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000517962136 974321513 /nfs/dbraw/zinc/32/15/13/974321513.db2.gz RJKXIJFUTCZJPH-JKSUJKDBSA-N -1 0 339.435 3.824 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccccc1N1CCc2ccccc21 ZINC000520610362 974340264 /nfs/dbraw/zinc/34/02/64/974340264.db2.gz WAQJSBJWSHVHFG-AWEZNQCLSA-N -1 0 338.407 3.820 20 0 EHADRM O=C([O-])c1cc(CN2CCO[C@@H](c3ccccc3Cl)C2)cs1 ZINC000522008010 974349165 /nfs/dbraw/zinc/34/91/65/974349165.db2.gz KQAGXHYKEGYRAW-CQSZACIVSA-N -1 0 337.828 3.673 20 0 EHADRM COc1cccc([C@H](C)CC(=O)NCC2(CC(=O)[O-])CCCCC2)c1 ZINC000537473655 974384612 /nfs/dbraw/zinc/38/46/12/974384612.db2.gz WQKSVMBCKDHINS-OAHLLOKOSA-N -1 0 347.455 3.730 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)CCc1ccc2ccccc2c1 ZINC000538472741 974388805 /nfs/dbraw/zinc/38/88/05/974388805.db2.gz BCJGDFSWHZAPAJ-UHFFFAOYSA-N -1 0 327.424 3.922 20 0 EHADRM Cc1ccc(CC(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])cc1C ZINC000540676111 974405831 /nfs/dbraw/zinc/40/58/31/974405831.db2.gz OEAPYVAPORUJPJ-QGZVFWFLSA-N -1 0 339.435 3.595 20 0 EHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001603976209 974473337 /nfs/dbraw/zinc/47/33/37/974473337.db2.gz FYJURMVEMRYHPG-ZCNNSNEGSA-N -1 0 349.430 3.563 20 0 EHADRM Cc1cc(CN2C[C@H](c3cccc(Cl)c3)OC[C@@H]2C)oc1C(=O)[O-] ZINC000564091811 974543274 /nfs/dbraw/zinc/54/32/74/974543274.db2.gz DDMRQKZIALTBSM-BLLLJJGKSA-N -1 0 349.814 3.902 20 0 EHADRM CN(C(=O)CCC(=O)[O-])[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001604028658 974553546 /nfs/dbraw/zinc/55/35/46/974553546.db2.gz NKBMFJHTBOKLEA-UONOGXRCSA-N -1 0 343.345 3.665 20 0 EHADRM CCCCOc1ccc([C@@H](C)Nc2ncc(C(=O)[O-])cn2)cc1OC ZINC000565039371 974564584 /nfs/dbraw/zinc/56/45/84/974564584.db2.gz ZFSFFBLBFRJLEH-GFCCVEGCSA-N -1 0 345.399 3.535 20 0 EHADRM CCOc1ccc(C(F)(F)F)cc1NC(=O)C[C@H](C)CC(=O)[O-] ZINC000565224333 974574736 /nfs/dbraw/zinc/57/47/36/974574736.db2.gz FEGFCWCXYHFSMC-VIFPVBQESA-N -1 0 333.306 3.544 20 0 EHADRM O=C([O-])[C@H](c1ccccc1)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000566362564 974610785 /nfs/dbraw/zinc/61/07/85/974610785.db2.gz UVTVUQWILICWBK-IRXDYDNUSA-N -1 0 349.789 3.678 20 0 EHADRM O=C([O-])c1cccc(CN2CCO[C@H](c3cccs3)C2)c1Cl ZINC000568060227 974655787 /nfs/dbraw/zinc/65/57/87/974655787.db2.gz WIZMFDYBFIDNPD-ZDUSSCGKSA-N -1 0 337.828 3.673 20 0 EHADRM O=C([O-])[C@H]1Cc2ccccc2CN1Cc1csc(C2CCCC2)n1 ZINC000568068870 974660612 /nfs/dbraw/zinc/66/06/12/974660612.db2.gz UXFOACXVYBJMMI-QGZVFWFLSA-N -1 0 342.464 3.812 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000568110337 974663025 /nfs/dbraw/zinc/66/30/25/974663025.db2.gz UTAJFBFWCNZDTD-VBQJREDUSA-N -1 0 333.428 3.799 20 0 EHADRM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)C[C@H](C)CC(=O)[O-] ZINC000568415296 974669894 /nfs/dbraw/zinc/66/98/94/974669894.db2.gz NQCHWOAGACFSIV-YNEHKIRRSA-N -1 0 325.836 3.791 20 0 EHADRM CCO[C@H](C)c1nc(CN(C)[C@H](C(=O)[O-])c2ccsc2)cs1 ZINC000569934616 974702068 /nfs/dbraw/zinc/70/20/68/974702068.db2.gz KCRQTMCWVIFYHN-MFKMUULPSA-N -1 0 340.470 3.560 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N(C)[C@@H](C)c2ccccc2)cc1C ZINC000107963515 1014218822 /nfs/dbraw/zinc/21/88/22/1014218822.db2.gz DRJPHGHHVZDKIM-QMHKHESXSA-N -1 0 329.465 3.631 20 0 EHADRM COc1ccc(CCCC(=O)NCC2(CC(=O)[O-])CCCCC2)cc1 ZINC000580732773 974898555 /nfs/dbraw/zinc/89/85/55/974898555.db2.gz IJMUMGKHSLYNSP-UHFFFAOYSA-N -1 0 347.455 3.559 20 0 EHADRM O=C([O-])CN(CCc1ccccc1)Cc1csc(-c2ccco2)n1 ZINC000580751404 974898693 /nfs/dbraw/zinc/89/86/93/974898693.db2.gz XRVYTPWBVIIWPD-UHFFFAOYSA-N -1 0 342.420 3.532 20 0 EHADRM Cc1ccc(CN(Cc2ccco2)C(=O)C[C@@H](C)CC(=O)[O-])s1 ZINC000580784231 974899921 /nfs/dbraw/zinc/89/99/21/974899921.db2.gz RLUWBGHBXWDPET-GFCCVEGCSA-N -1 0 335.425 3.679 20 0 EHADRM Cc1ccc(CN(C)[C@H](C(=O)[O-])c2ccccc2C(F)(F)F)o1 ZINC000584236995 974952408 /nfs/dbraw/zinc/95/24/08/974952408.db2.gz GSSNYTQQCMNTMR-AWEZNQCLSA-N -1 0 327.302 3.865 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)c2ocnc2C2CC2)c1 ZINC000600869285 975007823 /nfs/dbraw/zinc/00/78/23/975007823.db2.gz KWHPAFLSYSEIMQ-UHFFFAOYSA-N -1 0 346.408 3.512 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000604498011 975014649 /nfs/dbraw/zinc/01/46/49/975014649.db2.gz NJDQNXQYVDYBCF-LBPRGKRZSA-N -1 0 347.436 3.765 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000621558025 975031813 /nfs/dbraw/zinc/03/18/13/975031813.db2.gz WBVCHBNJLLKBHC-UHFFFAOYSA-N -1 0 339.391 3.718 20 0 EHADRM Cc1ccc2cc(Cl)cc(C(=O)N3CCCCC[C@@H]3C(=O)[O-])c2n1 ZINC000621570317 975036361 /nfs/dbraw/zinc/03/63/61/975036361.db2.gz UHYUDTLOMXITDN-OAHLLOKOSA-N -1 0 346.814 3.666 20 0 EHADRM CC(C)Cc1ccc(C(=O)Nc2cccc(OCC(=O)[O-])c2)cc1 ZINC000621579785 975040572 /nfs/dbraw/zinc/04/05/72/975040572.db2.gz MCTRHYCKFSCVJY-UHFFFAOYSA-N -1 0 327.380 3.601 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)N2CCc3c(cccc3C(=O)[O-])C2)CC1 ZINC000621580031 975041395 /nfs/dbraw/zinc/04/13/95/975041395.db2.gz JXCHCGXEXDEJGD-SHTZXODSSA-N -1 0 329.440 3.732 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1ccoc1C1CC1 ZINC000621583213 975043167 /nfs/dbraw/zinc/04/31/67/975043167.db2.gz JAPVJKGOCGNKIM-GDBMZVCRSA-N -1 0 331.412 3.653 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ncc(C(=O)[O-])s1 ZINC000621611460 975060771 /nfs/dbraw/zinc/06/07/71/975060771.db2.gz CVQVNAKPYJFNJB-ZDEQEGDKSA-N -1 0 336.457 3.625 20 0 EHADRM O=C([O-])c1cnc(C2CCN(c3nc4ccccc4s3)CC2)s1 ZINC000629383783 975092665 /nfs/dbraw/zinc/09/26/65/975092665.db2.gz FXADILJEZWZOGL-UHFFFAOYSA-N -1 0 345.449 3.835 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC000630097166 975098577 /nfs/dbraw/zinc/09/85/77/975098577.db2.gz GYZDRJVYKMBADQ-HILJTLORSA-N -1 0 345.414 3.564 20 0 EHADRM Cn1cc(CNCc2cccc(O)c2Cl)c(-c2ccccc2)n1 ZINC000339341649 1014237019 /nfs/dbraw/zinc/23/70/19/1014237019.db2.gz DNSHUXBHFWUOCQ-UHFFFAOYSA-N -1 0 327.815 3.736 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)C[C@@H](C)c2ccco2)cc1 ZINC000630144907 975128246 /nfs/dbraw/zinc/12/82/46/975128246.db2.gz ODVIQUDCENMUEW-DOMZBBRYSA-N -1 0 347.436 3.827 20 0 EHADRM Cc1cc(C)c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)s1 ZINC000630145968 975128862 /nfs/dbraw/zinc/12/88/62/975128862.db2.gz FWMDILICHJJSCW-ZDUSSCGKSA-N -1 0 337.828 3.964 20 0 EHADRM CC[C@H](CNC(=O)c1ccc(Oc2ccccc2)cc1C)C(=O)[O-] ZINC000630198577 975156447 /nfs/dbraw/zinc/15/64/47/975156447.db2.gz FAEXDOPYWFYDGX-CQSZACIVSA-N -1 0 327.380 3.628 20 0 EHADRM Cc1cc(C(=O)N2CCc3ccc(C(C)C)cc3C2)oc1C(=O)[O-] ZINC000630204906 975158249 /nfs/dbraw/zinc/15/82/49/975158249.db2.gz XNFDYOVQILPKKW-UHFFFAOYSA-N -1 0 327.380 3.608 20 0 EHADRM C[C@@H](NC(=O)CC(C1CCC1)C1CCC1)c1ncc(C(=O)[O-])s1 ZINC000630218453 975164944 /nfs/dbraw/zinc/16/49/44/975164944.db2.gz DUWVTRLNOICYPZ-SNVBAGLBSA-N -1 0 336.457 3.625 20 0 EHADRM CC1(CC(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)CCCCC1 ZINC000630240731 975185643 /nfs/dbraw/zinc/18/56/43/975185643.db2.gz FHESKCNEWNCSMH-UHFFFAOYSA-N -1 0 333.403 3.769 20 0 EHADRM C[C@H](CC1CCCC1)C(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000630240579 975185718 /nfs/dbraw/zinc/18/57/18/975185718.db2.gz NBNAPAXVJFSLLB-GFCCVEGCSA-N -1 0 333.403 3.625 20 0 EHADRM CC[C@H](CC(=O)N1CCC(c2ncc(C(=O)[O-])s2)CC1)C(C)C ZINC000630246408 975192895 /nfs/dbraw/zinc/19/28/95/975192895.db2.gz XXURJSSKRXHCRD-GFCCVEGCSA-N -1 0 338.473 3.620 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)CCCc2ccccc2)cc1F)C(=O)[O-] ZINC000630257943 975200825 /nfs/dbraw/zinc/20/08/25/975200825.db2.gz HDGJRVDWGLWVBP-ZDUSSCGKSA-N -1 0 345.370 3.639 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)[C@H](c1ccccc1)C1CC1)C1CCCCC1 ZINC000630268107 975211782 /nfs/dbraw/zinc/21/17/82/975211782.db2.gz VZPAHNDETLLIHR-ZWKOTPCHSA-N -1 0 329.440 3.578 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(Cl)cc2Cl)[C@@H]2CCC[C@H]21 ZINC000630272000 975216404 /nfs/dbraw/zinc/21/64/04/975216404.db2.gz IZESWSSZVXITSB-MISXGVKJSA-N -1 0 342.222 3.709 20 0 EHADRM CC1(C)[C@@H](c2cccc(F)c2)CCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000630277174 975221791 /nfs/dbraw/zinc/22/17/91/975221791.db2.gz YNZRKGNNGIECTJ-CYBMUJFWSA-N -1 0 347.411 3.994 20 0 EHADRM Cc1cc(Cl)c(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)cc1C ZINC000630280665 975225433 /nfs/dbraw/zinc/22/54/33/975225433.db2.gz AAEPAECFIILXNN-HEHGZKQESA-N -1 0 335.831 3.672 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC000630284830 975229850 /nfs/dbraw/zinc/22/98/50/975229850.db2.gz MGWDRWAQFXTAPE-OQIJWPOYSA-N -1 0 343.467 3.747 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000630291156 975233741 /nfs/dbraw/zinc/23/37/41/975233741.db2.gz MRKBTYNJTGKCPX-GFCCVEGCSA-N -1 0 333.771 3.569 20 0 EHADRM COc1cc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)ccc1C(F)(F)F ZINC000630291920 975233815 /nfs/dbraw/zinc/23/38/15/975233815.db2.gz GYPLSXTVHBQMHL-MGCOHNPYSA-N -1 0 345.317 3.544 20 0 EHADRM CC[C@H](c1ccccc1OC)N(C)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000630295835 975235620 /nfs/dbraw/zinc/23/56/20/975235620.db2.gz MXTLKOWZPKTANW-MRXNPFEDSA-N -1 0 345.370 3.756 20 0 EHADRM CN(C(=O)c1cc(C(=O)[O-])ccn1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000630295636 975235859 /nfs/dbraw/zinc/23/58/59/975235859.db2.gz TZEOXQZPWSBSEB-AEFFLSMTSA-N -1 0 338.407 3.578 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N2CCCC[C@H]2c2ccc(F)cc2)c1 ZINC000630296793 975236469 /nfs/dbraw/zinc/23/64/69/975236469.db2.gz HMCSQQGIXAEFLE-SFHVURJKSA-N -1 0 341.382 3.820 20 0 EHADRM CC[C@@H](CSc1ccccc1)NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000630296601 975236535 /nfs/dbraw/zinc/23/65/35/975236535.db2.gz FVVFLDSNMKRHHE-KKUMJFAQSA-N -1 0 335.469 3.565 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000630298312 975237797 /nfs/dbraw/zinc/23/77/97/975237797.db2.gz UMKKWSNFZZWBAS-OAHLLOKOSA-N -1 0 331.343 3.793 20 0 EHADRM CC(C)c1ccc(SCC(=O)N2C3CCC2(C(=O)[O-])CC3)cc1 ZINC000630326399 975253586 /nfs/dbraw/zinc/25/35/86/975253586.db2.gz XBXNFYOLQJKWII-UHFFFAOYSA-N -1 0 333.453 3.510 20 0 EHADRM Cc1ccccc1C1(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CC1 ZINC000630328914 975256815 /nfs/dbraw/zinc/25/68/15/975256815.db2.gz UEFRSUZPWPKIDO-DLBZAZTESA-N -1 0 335.403 3.853 20 0 EHADRM Cc1ncc([C@H](C)Nc2nc(C)nc3sc(C(=O)[O-])c(C)c32)s1 ZINC000630463116 975266160 /nfs/dbraw/zinc/26/61/60/975266160.db2.gz XSDUELANMRDYBA-ZETCQYMHSA-N -1 0 348.453 3.944 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NCc2ccc(Br)cn2)cc1 ZINC000630466989 975266238 /nfs/dbraw/zinc/26/62/38/975266238.db2.gz HLYQOOCMMRWPRK-LSDHHAIUSA-N -1 0 347.212 3.644 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2CCC=CCC2)c(OCC(F)F)c1 ZINC000634804998 975276835 /nfs/dbraw/zinc/27/68/35/975276835.db2.gz AJKFYKOQZJALRR-UHFFFAOYSA-N -1 0 339.338 3.714 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)cn1 ZINC000642079818 975288200 /nfs/dbraw/zinc/28/82/00/975288200.db2.gz PNVDDXIZGBIAEN-UHFFFAOYSA-N -1 0 349.346 3.565 20 0 EHADRM O=C([O-])[C@@H]1CCN(Cc2ncc(Cl)cc2Cl)c2ccccc21 ZINC000643055683 975296690 /nfs/dbraw/zinc/29/66/90/975296690.db2.gz KCXROZYEKAFEOR-GFCCVEGCSA-N -1 0 337.206 3.967 20 0 EHADRM CN(Cc1ccc(Cl)cc1Cl)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000644178254 975324788 /nfs/dbraw/zinc/32/47/88/975324788.db2.gz UEFZTDYQKZJLCL-UHFFFAOYSA-N -1 0 347.242 3.636 20 0 EHADRM O=C([O-])c1ccc(N2CCC(c3c[nH]c4cc(F)ccc43)CC2)nc1 ZINC000647450239 975363359 /nfs/dbraw/zinc/36/33/59/975363359.db2.gz GBFRYLYLMOYPCB-UHFFFAOYSA-N -1 0 339.370 3.784 20 0 EHADRM CCCCCn1cc(CNc2ncc(C(=O)[O-])cc2Cl)c(C)n1 ZINC000647452827 975363779 /nfs/dbraw/zinc/36/37/79/975363779.db2.gz MFGQERCTUFUDMD-UHFFFAOYSA-N -1 0 336.823 3.740 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)CC2CC(c3ccccc3)C2)C1 ZINC000648333738 975380663 /nfs/dbraw/zinc/38/06/63/975380663.db2.gz RGRGMJSOPLGAQL-VJFUWPCTSA-N -1 0 343.467 3.920 20 0 EHADRM Cc1ccccc1C(C)(C)C(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC000649258459 975400056 /nfs/dbraw/zinc/40/00/56/975400056.db2.gz VEVHOZBRLXXBRX-UHFFFAOYSA-N -1 0 337.419 3.556 20 0 EHADRM Cc1ccccc1C1(NC(=O)CCc2ccccc2C(=O)[O-])CCC1 ZINC000652081093 975475905 /nfs/dbraw/zinc/47/59/05/975475905.db2.gz DUBQJJUZUPQOKP-UHFFFAOYSA-N -1 0 337.419 3.821 20 0 EHADRM CC(C)O[C@@H](C(=O)NC[C@H](C(=O)[O-])C1CCCCC1)c1ccccc1 ZINC001591686227 975494140 /nfs/dbraw/zinc/49/41/40/975494140.db2.gz JRIDUNCXXGDHDN-ZWKOTPCHSA-N -1 0 347.455 3.550 20 0 EHADRM CC(C)O[C@@H](C(=O)NC[C@H](CC1CCCC1)C(=O)[O-])c1ccccc1 ZINC001591686639 975498033 /nfs/dbraw/zinc/49/80/33/975498033.db2.gz QSCFXPHYIVGXNZ-ZWKOTPCHSA-N -1 0 347.455 3.550 20 0 EHADRM CC(C)O[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])c1ccccc1 ZINC001591687319 975501844 /nfs/dbraw/zinc/50/18/44/975501844.db2.gz ZLIXTHVWVZZNLA-ZWKOTPCHSA-N -1 0 347.455 3.693 20 0 EHADRM CC(C)(CCCc1ccccc1)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000652126415 975511837 /nfs/dbraw/zinc/51/18/37/975511837.db2.gz GLEBAQNTTYCBKT-ZWKOTPCHSA-N -1 0 343.467 3.605 20 0 EHADRM C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1Cc1oncc1C(=O)[O-] ZINC000652440640 975533730 /nfs/dbraw/zinc/53/37/30/975533730.db2.gz NUEGBMIUDOBUNS-MRVPVSSYSA-N -1 0 341.194 3.799 20 0 EHADRM C[C@H](c1ncc(C(C)(C)C)o1)N1CCc2cccc(C(=O)[O-])c2C1 ZINC000652487996 975555454 /nfs/dbraw/zinc/55/54/54/975555454.db2.gz ZVJFGDASYJPGKQ-GFCCVEGCSA-N -1 0 328.412 3.790 20 0 EHADRM C[C@H](CC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1F ZINC000653331209 975590798 /nfs/dbraw/zinc/59/07/98/975590798.db2.gz OIJNKMIUHUEOQO-NJAPINKUSA-N -1 0 341.382 3.749 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1cccc(CC(=O)[O-])c1 ZINC000653641521 975607437 /nfs/dbraw/zinc/60/74/37/975607437.db2.gz NDAOEPNIMAWEAE-ZDUSSCGKSA-N -1 0 345.826 3.670 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)c2cccc(CC(=O)[O-])c2)c1C ZINC000653641730 975609424 /nfs/dbraw/zinc/60/94/24/975609424.db2.gz VSKDQQJBVFQHRB-IBGZPJMESA-N -1 0 337.419 3.908 20 0 EHADRM C[C@H]1CCN(C(=O)c2cccc(CC(=O)[O-])c2)CC12CCCCC2 ZINC000653644337 975614084 /nfs/dbraw/zinc/61/40/84/975614084.db2.gz GCRGKQHQOAKOCG-HNNXBMFYSA-N -1 0 329.440 3.746 20 0 EHADRM CC1(C)CO[C@@H](c2cccc(Cl)c2)CN1Cc1cc(C(=O)[O-])co1 ZINC000656764878 975697423 /nfs/dbraw/zinc/69/74/23/975697423.db2.gz GHNIYVZWAFWWQL-MRXNPFEDSA-N -1 0 349.814 3.983 20 0 EHADRM CC(C)OCc1ccc(NC(=O)NC2(CC(=O)[O-])CCCC2)cc1 ZINC001591731429 975709754 /nfs/dbraw/zinc/70/97/54/975709754.db2.gz XZHCSDSNQNOPQZ-UHFFFAOYSA-N -1 0 334.416 3.521 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)c1OC ZINC000659127601 975727077 /nfs/dbraw/zinc/72/70/77/975727077.db2.gz MQIDTAQIGPUNNA-VIKVFOODSA-N -1 0 347.411 3.557 20 0 EHADRM CCC1(C(=O)Nc2cccc(OCC(=O)[O-])c2)CCC(F)(F)CC1 ZINC000659130510 975730482 /nfs/dbraw/zinc/73/04/82/975730482.db2.gz NTHGWHIQFLKWEQ-UHFFFAOYSA-N -1 0 341.354 3.694 20 0 EHADRM CC(C)O[C@@H]1CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC001591737085 975731392 /nfs/dbraw/zinc/73/13/92/975731392.db2.gz FQTBEESEISVEKA-MRXNPFEDSA-N -1 0 346.452 3.508 20 0 EHADRM O=C([O-])CCCOc1ccc(CNC(=O)C2CCC3(CC3)CC2)cc1 ZINC000659132971 975732999 /nfs/dbraw/zinc/73/29/99/975732999.db2.gz DVECFHJAAWJACG-UHFFFAOYSA-N -1 0 345.439 3.517 20 0 EHADRM CC1=CC[C@](C)(C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)CC1 ZINC000659132627 975733032 /nfs/dbraw/zinc/73/30/32/975733032.db2.gz BMDHWRUHNJSXPA-FQEVSTJZSA-N -1 0 345.439 3.683 20 0 EHADRM CCC1(C(=O)Nc2ccc(CC(=O)[O-])cc2)CCC(F)(F)CC1 ZINC000659143605 975743034 /nfs/dbraw/zinc/74/30/34/975743034.db2.gz RPOBLELHCGOVFT-UHFFFAOYSA-N -1 0 325.355 3.858 20 0 EHADRM CC(C)Oc1c(NC(=O)CCNc2ccccc2)cccc1C(=O)[O-] ZINC001591741320 975752021 /nfs/dbraw/zinc/75/20/21/975752021.db2.gz FTBCUAKQKMKWCM-UHFFFAOYSA-N -1 0 342.395 3.613 20 0 EHADRM COc1cc(NC(=O)C[C@]23CCCC[C@H]2C3(F)F)ccc1C(=O)[O-] ZINC000659152541 975752911 /nfs/dbraw/zinc/75/29/11/975752911.db2.gz AQEUZPLJPJRTKS-CZUORRHYSA-N -1 0 339.338 3.548 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[C@H]1CCCc1ccccc1 ZINC000659153085 975752986 /nfs/dbraw/zinc/75/29/86/975752986.db2.gz HNJDCXAZBGJJDN-MRXNPFEDSA-N -1 0 341.407 3.914 20 0 EHADRM CC(C)Oc1c(NC(=O)N[C@H]2CCC[C@@H](F)C2)cccc1C(=O)[O-] ZINC001591743759 975761498 /nfs/dbraw/zinc/76/14/98/975761498.db2.gz BRELTLVQYGLJCG-NEPJUHHUSA-N -1 0 338.379 3.574 20 0 EHADRM CC(C)Oc1c(NC(=O)N2CCC[C@@](C)(F)C2)cccc1C(=O)[O-] ZINC001591744055 975765355 /nfs/dbraw/zinc/76/53/55/975765355.db2.gz IOHFJHYAMLLIFP-QGZVFWFLSA-N -1 0 338.379 3.528 20 0 EHADRM CC(C)[C@@H](NC(=O)Cc1cccc(C(=O)[O-])c1)c1ccccc1F ZINC000659179593 975774206 /nfs/dbraw/zinc/77/42/06/975774206.db2.gz MDWFKKHHOSQMSF-GOSISDBHSA-N -1 0 329.371 3.580 20 0 EHADRM CC(C)Oc1c(NC(=O)c2nc(C3CC3)cs2)cccc1C(=O)[O-] ZINC001591746914 975787702 /nfs/dbraw/zinc/78/77/02/975787702.db2.gz UXFPWFGDZDEFRW-UHFFFAOYSA-N -1 0 346.408 3.758 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3o2)[C@@H]2CCCC[C@@H]12 ZINC000659194420 975794633 /nfs/dbraw/zinc/79/46/33/975794633.db2.gz LHEYRUIBKGOMFY-RRFJBIMHSA-N -1 0 345.370 3.677 20 0 EHADRM CC(C)Oc1c(NC(=O)NOC2CCCCC2)cccc1C(=O)[O-] ZINC001591747669 975795915 /nfs/dbraw/zinc/79/59/15/975795915.db2.gz WEPDGCKNLSGSBO-UHFFFAOYSA-N -1 0 336.388 3.558 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2coc3ccccc23)[C@@H]2CCCC[C@@H]12 ZINC000659194709 975796129 /nfs/dbraw/zinc/79/61/29/975796129.db2.gz MPHAZYCNWQZDBR-JGGQBBKZSA-N -1 0 327.380 3.538 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)C/C=C/c2cccc(F)c2)[C@@H]2CCCC[C@@H]12 ZINC000659195689 975798751 /nfs/dbraw/zinc/79/87/51/975798751.db2.gz QYGNFKVYJMFYEZ-WPZRKRACSA-N -1 0 345.414 3.721 20 0 EHADRM Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)c(C)n1C(C)C ZINC000659196684 975801076 /nfs/dbraw/zinc/80/10/76/975801076.db2.gz XELAEGOEHBUOFZ-SOLBZPMBSA-N -1 0 346.471 3.791 20 0 EHADRM CC(C)Oc1c(NCc2ncc(Cl)s2)cccc1C(=O)[O-] ZINC001591752293 975813563 /nfs/dbraw/zinc/81/35/63/975813563.db2.gz RVHUXIQUXHCYJC-UHFFFAOYSA-N -1 0 326.805 3.894 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NC1C(C)(C)C1(C)C ZINC001591768062 975887284 /nfs/dbraw/zinc/88/72/84/975887284.db2.gz YSNTXLFZBWKQGS-UHFFFAOYSA-N -1 0 334.416 3.728 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NCCCC1CCC1 ZINC001591768997 975888530 /nfs/dbraw/zinc/88/85/30/975888530.db2.gz BXJGUNBWTFPQSH-UHFFFAOYSA-N -1 0 334.416 3.874 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)Nc1cc(C(C)C)[nH]n1 ZINC001591769093 975890130 /nfs/dbraw/zinc/89/01/30/975890130.db2.gz FERUYEVFADHLOK-UHFFFAOYSA-N -1 0 346.387 3.663 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)cc1 ZINC000666365031 975960621 /nfs/dbraw/zinc/96/06/21/975960621.db2.gz ZWYWJAUDPRCQRO-HNNXBMFYSA-N -1 0 341.407 3.981 20 0 EHADRM O=C([O-])CCCCNC(=O)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000666559438 975972804 /nfs/dbraw/zinc/97/28/04/975972804.db2.gz VIROMGUVTOCCFQ-HNNXBMFYSA-N -1 0 338.835 3.832 20 0 EHADRM CC(C)Oc1ccc(NC(=O)c2nc(C3CC3)cs2)c(C(=O)[O-])c1 ZINC001591788446 975973987 /nfs/dbraw/zinc/97/39/87/975973987.db2.gz IZCRJFYJFWXERX-UHFFFAOYSA-N -1 0 346.408 3.758 20 0 EHADRM Cc1ccc(NC(=O)c2cccc([C@@H]3CCCOC3)c2)cc1C(=O)[O-] ZINC000668277628 975981898 /nfs/dbraw/zinc/98/18/98/975981898.db2.gz LYEAPBLRWQHRAY-MRXNPFEDSA-N -1 0 339.391 3.840 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000668277850 975983335 /nfs/dbraw/zinc/98/33/35/975983335.db2.gz RVMTUWYLZNNSFB-NSHDSACASA-N -1 0 345.361 3.852 20 0 EHADRM Cc1cccc2cc(C(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])sc21 ZINC000668287350 975986688 /nfs/dbraw/zinc/98/66/88/975986688.db2.gz ALKNEDFQFGUCAP-KCQAQPDRSA-N -1 0 329.421 3.535 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)NC1CCC(c2ccc(F)cc2)CC1 ZINC000668314418 975993159 /nfs/dbraw/zinc/99/31/59/975993159.db2.gz OEGYGUXPZZTELK-UHFFFAOYSA-N -1 0 345.370 3.882 20 0 EHADRM CCOC(C)(C)CNC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000668318942 975996340 /nfs/dbraw/zinc/99/63/40/975996340.db2.gz YQJJZXZHXCSTPI-UHFFFAOYSA-N -1 0 341.407 3.597 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000669434274 976000631 /nfs/dbraw/zinc/00/06/31/976000631.db2.gz CHEHIABRXGGHLP-CJNGLKHVSA-N -1 0 341.382 3.609 20 0 EHADRM CC1(c2cc(NC(=O)NCc3cccc(C(=O)[O-])c3)no2)CCCC1 ZINC000669505155 976008922 /nfs/dbraw/zinc/00/89/22/976008922.db2.gz MGETVARZKAEFCP-UHFFFAOYSA-N -1 0 343.383 3.526 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)cc1 ZINC000675946794 976017265 /nfs/dbraw/zinc/01/72/65/976017265.db2.gz RRHIAIADBNMESU-SOLBZPMBSA-N -1 0 345.439 3.566 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)cc1 ZINC000675946793 976017382 /nfs/dbraw/zinc/01/73/82/976017382.db2.gz RRHIAIADBNMESU-RYRKJORJSA-N -1 0 345.439 3.566 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)C[C@H]2CCC[C@@H](C)C2)cc1 ZINC000675947886 976018960 /nfs/dbraw/zinc/01/89/60/976018960.db2.gz KRMLJFIBWBTQNM-KEYYUXOJSA-N -1 0 333.428 3.544 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)c1cccs1 ZINC000675951000 976020144 /nfs/dbraw/zinc/02/01/44/976020144.db2.gz NIMHQWSCASFAEF-IHRRRGAJSA-N -1 0 349.839 3.837 20 0 EHADRM Cc1cccc2c(CCC(=O)N(CC(=O)[O-])C3CCCCC3)c[nH]c21 ZINC000675993652 976024816 /nfs/dbraw/zinc/02/48/16/976024816.db2.gz OQRZBMHZWGWAKF-UHFFFAOYSA-N -1 0 342.439 3.655 20 0 EHADRM Cc1oc(CN(C)C(=O)CCc2ccc([C@@H]3C[C@@H]3C)o2)cc1C(=O)[O-] ZINC000676002488 976026280 /nfs/dbraw/zinc/02/62/80/976026280.db2.gz RJJUAQIYAVUCGZ-XHDPSFHLSA-N -1 0 345.395 3.594 20 0 EHADRM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000676003685 976026484 /nfs/dbraw/zinc/02/64/84/976026484.db2.gz TYFQKGHHIIGRBE-HZMBPMFUSA-N -1 0 325.792 3.572 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000678979633 976034058 /nfs/dbraw/zinc/03/40/58/976034058.db2.gz IEMAPYNMWLEYNN-UHFFFAOYSA-N -1 0 347.798 3.963 20 0 EHADRM Cc1ccc(CCCC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)s1 ZINC000679102030 976043533 /nfs/dbraw/zinc/04/35/33/976043533.db2.gz RWXUYNOFGSSNTD-AWEZNQCLSA-N -1 0 337.485 3.729 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000679103314 976044526 /nfs/dbraw/zinc/04/45/26/976044526.db2.gz SGVGOGNOHGONPM-HOCLYGCPSA-N -1 0 349.446 3.744 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000679103313 976045022 /nfs/dbraw/zinc/04/50/22/976045022.db2.gz SGVGOGNOHGONPM-GOEBONIOSA-N -1 0 349.446 3.744 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000679103708 976045707 /nfs/dbraw/zinc/04/57/07/976045707.db2.gz YMPDUTGMMUOLON-HOCLYGCPSA-N -1 0 349.496 3.907 20 0 EHADRM Cc1[nH]c2c(cccc2C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1C ZINC000679103885 976045953 /nfs/dbraw/zinc/04/59/53/976045953.db2.gz LULDWFOXWNDYHZ-AWEZNQCLSA-N -1 0 342.439 3.748 20 0 EHADRM CC(C)Oc1ncc(Cl)cc1N[C@@H]1CC[C@@H](CC(=O)[O-])[C@H]1C ZINC001591811729 976048032 /nfs/dbraw/zinc/04/80/32/976048032.db2.gz UVNRZGVALFUTHD-NTZNESFSSA-N -1 0 326.824 3.824 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)CSc1ccc2ccccc2c1 ZINC000679400482 976051867 /nfs/dbraw/zinc/05/18/67/976051867.db2.gz PFHOKIGJUZOVRS-INIZCTEOSA-N -1 0 343.448 3.788 20 0 EHADRM CC1(C)Cc2cccc(CN[C@@H](C(=O)[O-])c3cc(F)ccc3F)c2O1 ZINC000683173211 976080065 /nfs/dbraw/zinc/08/00/65/976080065.db2.gz HDJKKKPJZPFZOG-MRXNPFEDSA-N -1 0 347.361 3.594 20 0 EHADRM Cc1cc(Cl)c(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1C ZINC000683323490 976086043 /nfs/dbraw/zinc/08/60/43/976086043.db2.gz BEDKKXHHDILSPR-CYBMUJFWSA-N -1 0 337.847 3.920 20 0 EHADRM CC(C)c1[nH]c(CN2CCn3c(cc4ccccc43)C2)cc1C(=O)[O-] ZINC001591912451 976346046 /nfs/dbraw/zinc/34/60/46/976346046.db2.gz NFOUVSZQWWYBJJ-UHFFFAOYSA-N -1 0 337.423 3.807 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2N(C)C)cc1 ZINC001591943318 976478202 /nfs/dbraw/zinc/47/82/02/976478202.db2.gz UBJJEQMBIHQWSS-UHFFFAOYSA-N -1 0 326.396 3.827 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2cccc(CC(=O)[O-])n2)cc1Cl ZINC001591947713 976493628 /nfs/dbraw/zinc/49/36/28/976493628.db2.gz RPAJVSIIPMEEJD-UHFFFAOYSA-N -1 0 332.787 3.738 20 0 EHADRM CC(C)c1ccc([C@@H]2CCCN2C(=O)NC2CC(CC(=O)[O-])C2)cc1 ZINC001591948113 976496354 /nfs/dbraw/zinc/49/63/54/976496354.db2.gz BBHXXKQOYBEBCJ-UYJHFMRCSA-N -1 0 344.455 3.910 20 0 EHADRM CC(C)c1ccc(CN(C(=S)NCCCC(=O)[O-])C2CC2)cc1 ZINC001591953836 976519893 /nfs/dbraw/zinc/51/98/93/976519893.db2.gz DTJQJCKMJAESNC-UHFFFAOYSA-N -1 0 334.485 3.514 20 0 EHADRM CC(C)c1ccc2c(c1)CN(C(=O)/C=C/c1cc(C(=O)[O-])co1)CC2 ZINC001591974294 976586020 /nfs/dbraw/zinc/58/60/20/976586020.db2.gz RSUDWORZIBEIHQ-AATRIKPKSA-N -1 0 339.391 3.699 20 0 EHADRM CC(C)c1ccc2c(c1)CN(C(=O)c1ccc(C(=O)[O-])cc1F)CC2 ZINC001591980618 976593908 /nfs/dbraw/zinc/59/39/08/976593908.db2.gz IHTAKOUVQCTNOE-UHFFFAOYSA-N -1 0 341.382 3.846 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)N1CC[C@@](C)(C(=O)[O-])C1)CCC2 ZINC001591981159 976596662 /nfs/dbraw/zinc/59/66/62/976596662.db2.gz PYXDPLGJMMAFRM-FXAWDEMLSA-N -1 0 344.455 3.694 20 0 EHADRM CC(C)c1cccc(C(=O)N[C@H](C)[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC001591982721 976599864 /nfs/dbraw/zinc/59/98/64/976599864.db2.gz CAWCCVMGZMTKEW-BEFAXECRSA-N -1 0 339.435 3.872 20 0 EHADRM CC(C)c1cccc(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC001591986945 976609089 /nfs/dbraw/zinc/60/90/89/976609089.db2.gz KCXYNSPNXYXXDZ-UHFFFAOYSA-N -1 0 330.359 3.969 20 0 EHADRM CC(C)c1sc(NC(=O)c2nc3ccccc3s2)nc1C(=O)[O-] ZINC001592115274 976914985 /nfs/dbraw/zinc/91/49/85/976914985.db2.gz YTANSMIVLJCLKW-UHFFFAOYSA-N -1 0 347.421 3.827 20 0 EHADRM CC(C)n1ncc(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])c1Cl ZINC001592153943 977031223 /nfs/dbraw/zinc/03/12/23/977031223.db2.gz ZEKCDMOVGOCHPO-UHFFFAOYSA-N -1 0 342.182 3.721 20 0 EHADRM CC(C)n1ncc2ccc(NC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)cc21 ZINC001592163425 977053589 /nfs/dbraw/zinc/05/35/89/977053589.db2.gz FRHKEEULOKTFBV-HNNXBMFYSA-N -1 0 346.431 3.628 20 0 EHADRM C[C@@H](/C=C\C(=O)[O-])NC(=O)C1(c2cccc(Cl)c2)CCCCC1 ZINC001592195219 977176810 /nfs/dbraw/zinc/17/68/10/977176810.db2.gz SFACOXHUBUTHLC-YXVBKTCISA-N -1 0 335.831 3.687 20 0 EHADRM C[C@H](CC(=O)N1CCOc2c(cccc2C(=O)[O-])C1)CC(C)(C)C ZINC001592236400 977445292 /nfs/dbraw/zinc/44/52/92/977445292.db2.gz OTPYRQHGJNKVCQ-CYBMUJFWSA-N -1 0 333.428 3.568 20 0 EHADRM C[C@H](CC(=O)N[C@@H](C(=O)[O-])c1ccccc1)c1c[nH]c2ccccc21 ZINC001592258323 977494973 /nfs/dbraw/zinc/49/49/73/977494973.db2.gz AYFZNSFFLIPYNK-BFUOFWGJSA-N -1 0 336.391 3.604 20 0 EHADRM C[C@@H](CC(=O)N[C@H](CC(=O)[O-])Cc1ccccc1)c1ccc(F)cc1 ZINC001592260239 977501254 /nfs/dbraw/zinc/50/12/54/977501254.db2.gz XEQJXJHPGDNDPL-KSSFIOAISA-N -1 0 343.398 3.522 20 0 EHADRM C[C@@H](CC(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-])c1ccco1 ZINC001592262289 977508486 /nfs/dbraw/zinc/50/84/86/977508486.db2.gz UMCIQEXMFORNLE-QMMMGPOBSA-N -1 0 325.723 3.903 20 0 EHADRM C[C@H](CC(=O)Nc1ccccc1CC(=O)[O-])c1c[nH]c2ccccc21 ZINC001592273985 977545705 /nfs/dbraw/zinc/54/57/05/977545705.db2.gz IEZNDPUZOPURQB-CYBMUJFWSA-N -1 0 336.391 3.927 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)NC1(c2c(Cl)cccc2Cl)CC1 ZINC001592381943 977922220 /nfs/dbraw/zinc/92/22/20/977922220.db2.gz RZGYUIHKRPEXRT-VIFPVBQESA-N -1 0 330.211 3.600 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1cc(C2CCC2)nn1-c1ccccc1 ZINC001592391123 977935491 /nfs/dbraw/zinc/93/54/91/977935491.db2.gz BVMGHXLMAQUFEE-ZDUSSCGKSA-N -1 0 341.411 3.579 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC001592394568 977945729 /nfs/dbraw/zinc/94/57/29/977945729.db2.gz LGMBGWHZCQZYQB-NSHDSACASA-N -1 0 348.786 3.967 20 0 EHADRM C[C@H](CC(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1)c1ccc(N)cc1 ZINC001592423484 978040294 /nfs/dbraw/zinc/04/02/94/978040294.db2.gz DQWSTQGWQRZUDZ-PIGZYNQJSA-N -1 0 347.798 3.785 20 0 EHADRM C[C@H](CC(C)(C)C)C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC001592439500 978091271 /nfs/dbraw/zinc/09/12/71/978091271.db2.gz KXOYZYKPBUIFNE-SECBINFHSA-N -1 0 335.429 3.847 20 0 EHADRM C[C@@H](CC(C)(C)C)C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001592439653 978092445 /nfs/dbraw/zinc/09/24/45/978092445.db2.gz NCJVMCKXQFAOLD-ZANVPECISA-N -1 0 329.799 3.793 20 0 EHADRM C[C@H](CC(C)(C)C)NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001592444217 978101808 /nfs/dbraw/zinc/10/18/08/978101808.db2.gz LRWBYHYZWXZWNY-UKRRQHHQSA-N -1 0 334.460 3.962 20 0 EHADRM Oc1ccc(OCc2ccccc2)cc1-c1nc([C@H]2CCOC2)no1 ZINC000579777893 1014467013 /nfs/dbraw/zinc/46/70/13/1014467013.db2.gz LVNQXCUGOGQMQT-AWEZNQCLSA-N -1 0 338.363 3.525 20 0 EHADRM C[C@@H](CCC1CCCCC1)NC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001592478131 978249576 /nfs/dbraw/zinc/24/95/76/978249576.db2.gz RTMGWDTTZAKVQW-HNNXBMFYSA-N -1 0 346.471 3.976 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC001592491456 978284121 /nfs/dbraw/zinc/28/41/21/978284121.db2.gz LXYDIUBGCGVREX-INIZCTEOSA-N -1 0 331.456 3.891 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)N(CCC(F)(F)F)CC(=O)[O-] ZINC001592491835 978284564 /nfs/dbraw/zinc/28/45/64/978284564.db2.gz NTMPAGRFWKMPAS-ZDUSSCGKSA-N -1 0 345.361 3.511 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000736511760 978340008 /nfs/dbraw/zinc/34/00/08/978340008.db2.gz CRJGUKTTWNSNNB-RHSMWYFYSA-N -1 0 332.444 3.562 20 0 EHADRM C[C@@H](CS[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000736620099 978345636 /nfs/dbraw/zinc/34/56/36/978345636.db2.gz WPDZJXUETCHMML-YUMQZZPRSA-N -1 0 336.240 3.774 20 0 EHADRM CC[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000736906639 978365770 /nfs/dbraw/zinc/36/57/70/978365770.db2.gz MRRHKHVZKCLPRK-AWEZNQCLSA-N -1 0 327.384 3.919 20 0 EHADRM CC[C@H](NC(=S)N1C[C@@H](C(=O)[O-])c2ccccc21)c1cccs1 ZINC000736920281 978366277 /nfs/dbraw/zinc/36/62/77/978366277.db2.gz QDZYRSBGCLUWLB-OLZOCXBDSA-N -1 0 346.477 3.762 20 0 EHADRM C[C@@H](CCc1ccc(F)cc1)C(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001592539582 978418630 /nfs/dbraw/zinc/41/86/30/978418630.db2.gz HQQDYAMLAKETIX-VBKZILBWSA-N -1 0 349.446 3.934 20 0 EHADRM C[C@H](CCc1ccco1)NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001592552403 978439716 /nfs/dbraw/zinc/43/97/16/978439716.db2.gz YEXKWGOOMZZGEA-OAUYIBNBSA-N -1 0 342.395 3.611 20 0 EHADRM Cc1ccc(S(=O)(=O)C2=C([O-])c3ccccc3CCC2)cc1C ZINC000683141820 1014491216 /nfs/dbraw/zinc/49/12/16/1014491216.db2.gz VNDVNEWUHMBQIS-SFHVURJKSA-N -1 0 328.433 3.665 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)c(C)n1C ZINC000738339056 978521226 /nfs/dbraw/zinc/52/12/26/978521226.db2.gz QZVVHKDIAUSBOL-UHFFFAOYSA-N -1 0 346.452 3.602 20 0 EHADRM Cc1cc(C)c(C)c(OCCC(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC000738356288 978522948 /nfs/dbraw/zinc/52/29/48/978522948.db2.gz UBHIAONLSQCXJX-AWEZNQCLSA-N -1 0 346.379 3.976 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)OCC1CCCCC1)C(=O)[O-] ZINC001592605528 978551833 /nfs/dbraw/zinc/55/18/33/978551833.db2.gz MACSSTBUFAJPAX-OAHLLOKOSA-N -1 0 333.428 3.926 20 0 EHADRM Cc1ccccc1NCCC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000738776843 978601164 /nfs/dbraw/zinc/60/11/64/978601164.db2.gz BBAVHIAFUGHERI-UHFFFAOYSA-N -1 0 332.787 3.787 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ncc(-c3ccccc3)s2)C1 ZINC000739574473 978646255 /nfs/dbraw/zinc/64/62/55/978646255.db2.gz YXSWHJYUIRCKIB-STQMWFEESA-N -1 0 330.409 3.640 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)N2CC[C@@H](c3ccccc3F)C2)c1 ZINC000740042414 978664513 /nfs/dbraw/zinc/66/45/13/978664513.db2.gz IOTNYIPURCRFIU-GFCCVEGCSA-N -1 0 343.358 3.937 20 0 EHADRM CCCC[C@H](NC(=O)c1cc(C)n(Cc2ccccc2)c1C)C(=O)[O-] ZINC000753906042 978694340 /nfs/dbraw/zinc/69/43/40/978694340.db2.gz AOOQPHWZKOOBLT-SFHVURJKSA-N -1 0 342.439 3.526 20 0 EHADRM CC[C@@H](C)CN(C)c1ccc(F)cc1CNCc1ccc(C(=O)[O-])o1 ZINC000756285727 978697026 /nfs/dbraw/zinc/69/70/26/978697026.db2.gz NMBYWNMKPPWXMO-CYBMUJFWSA-N -1 0 348.418 3.889 20 0 EHADRM O=C([O-])c1coc(C(=O)Nc2cccc(C3SCCS3)c2)c1 ZINC000758843375 978704686 /nfs/dbraw/zinc/70/46/86/978704686.db2.gz DFYBWRZZYQLKNR-UHFFFAOYSA-N -1 0 335.406 3.709 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)/C=C/c1ccsc1 ZINC000766938482 978729468 /nfs/dbraw/zinc/72/94/68/978729468.db2.gz HZQQKVNDHUTUCB-ZZXKWVIFSA-N -1 0 331.393 3.885 20 0 EHADRM Cn1c(C(=O)Nc2cccc(C(=O)[O-])c2)ccc1-c1ccc(F)cc1 ZINC000767073164 978732678 /nfs/dbraw/zinc/73/26/78/978732678.db2.gz CFGZKDIZHKVDII-UHFFFAOYSA-N -1 0 338.338 3.782 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(OCC2CCCCC2)cc1)C1CC1 ZINC000767076816 978733625 /nfs/dbraw/zinc/73/36/25/978733625.db2.gz ZRFSWDMGAPQZPM-GOSISDBHSA-N -1 0 345.439 3.629 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1sccc1-c1ccc(F)cc1 ZINC000767082759 978733685 /nfs/dbraw/zinc/73/36/85/978733685.db2.gz UPGGVBUMPOEYHP-UHFFFAOYSA-N -1 0 335.400 3.929 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)Cc1ccc(OC(F)F)cc1 ZINC000788088714 978796253 /nfs/dbraw/zinc/79/62/53/978796253.db2.gz OYWXQOOSYNTTJK-UHFFFAOYSA-N -1 0 349.333 3.784 20 0 EHADRM Cc1ccc(O[C@@H](C)CNC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000811816036 978860126 /nfs/dbraw/zinc/86/01/26/978860126.db2.gz JJPSYWJBMMMEHT-LBPRGKRZSA-N -1 0 347.798 3.544 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)NCCc2ccc(Cl)s2)c1 ZINC000811819461 978863299 /nfs/dbraw/zinc/86/32/99/978863299.db2.gz AZGZKNAAQPRKLR-UHFFFAOYSA-N -1 0 344.219 3.726 20 0 EHADRM Cc1ccccc1C[C@H](C)NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811819844 978864201 /nfs/dbraw/zinc/86/42/01/978864201.db2.gz IKFYVAZHYHGGLU-LBPRGKRZSA-N -1 0 331.799 3.708 20 0 EHADRM O=C([O-])C[C@H](NC(=O)/C=C\c1ccc(Cl)cc1)c1cccs1 ZINC000821790170 978926648 /nfs/dbraw/zinc/92/66/48/978926648.db2.gz HAQLJQGCMIDXEL-UJZCVKTISA-N -1 0 335.812 3.747 20 0 EHADRM CC(C)CN(C(=O)c1ccnc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000826865834 978950481 /nfs/dbraw/zinc/95/04/81/978950481.db2.gz YXYJWCIQLJGSLM-UHFFFAOYSA-N -1 0 332.787 3.736 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)s1 ZINC000471117326 1014541216 /nfs/dbraw/zinc/54/12/16/1014541216.db2.gz UQKXRULDSJILMV-OCCSQVGLSA-N -1 0 348.447 3.509 20 0 EHADRM O=C([O-])Nc1cc(C(=O)OCC[C@H]2CCCO2)cc(C(F)(F)F)c1 ZINC000833284572 979139849 /nfs/dbraw/zinc/13/98/49/979139849.db2.gz WKADFOLQVBUFHV-GFCCVEGCSA-N -1 0 347.289 3.521 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccc(Cl)nc1Cl)c1ccccc1F ZINC000833352769 979167984 /nfs/dbraw/zinc/16/79/84/979167984.db2.gz ZHAVCMHKPOHLIE-NSHDSACASA-N -1 0 344.125 3.510 20 0 EHADRM CC[C@@H](CC(=O)N[C@](C)(C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC001595033038 979172034 /nfs/dbraw/zinc/17/20/34/979172034.db2.gz AXXNUOMICJNBHW-XOBRGWDASA-N -1 0 343.398 3.826 20 0 EHADRM CC[C@H](CC(C)C)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC001595035408 979184241 /nfs/dbraw/zinc/18/42/41/979184241.db2.gz FLRXKJJYMHUFDX-CYBMUJFWSA-N -1 0 342.439 3.823 20 0 EHADRM CC[C@H](CC(=O)Nc1nc(C)c(C(=O)[O-])s1)c1ccc(OC)cc1 ZINC001595037304 979206192 /nfs/dbraw/zinc/20/61/92/979206192.db2.gz YIGPLDJNNPYMFJ-LLVKDONJSA-N -1 0 348.424 3.681 20 0 EHADRM CC[C@@H](CC(F)(F)F)C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC001595038745 979209771 /nfs/dbraw/zinc/20/97/71/979209771.db2.gz INQWAOBUOJNJOB-ZETCQYMHSA-N -1 0 338.351 3.882 20 0 EHADRM CC[C@@H](CC(F)(F)F)C(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1 ZINC001595039958 979219052 /nfs/dbraw/zinc/21/90/52/979219052.db2.gz XYKPQNPZOQMSJQ-AAEUAGOBSA-N -1 0 331.334 3.606 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)COC(=O)c1c(Cl)cccc1Cl ZINC001595044119 979247330 /nfs/dbraw/zinc/24/73/30/979247330.db2.gz RXEDXBMNXSCKTH-UHFFFAOYSA-N -1 0 347.194 3.610 20 0 EHADRM Cc1cc(C)cc(C2=CCN(C(=O)c3cccc(CC(=O)[O-])c3)CC2)c1 ZINC000836741542 979250847 /nfs/dbraw/zinc/25/08/47/979250847.db2.gz PDDNJBDIHQLSQB-UHFFFAOYSA-N -1 0 349.430 3.860 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)CSc1ccc2c(c1)CC(C)(C)O2 ZINC001595045827 979256418 /nfs/dbraw/zinc/25/64/18/979256418.db2.gz WQIWZEJRGSJHGY-UHFFFAOYSA-N -1 0 336.453 3.952 20 0 EHADRM C[C@H](CC(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1)C1CC1 ZINC000836756783 979264274 /nfs/dbraw/zinc/26/42/74/979264274.db2.gz PNLRLRFBJIVHRN-LLVKDONJSA-N -1 0 344.436 3.561 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1cccc(C2CCOCC2)c1 ZINC001595049742 979275780 /nfs/dbraw/zinc/27/57/80/979275780.db2.gz BSHPDMSIFCBSSF-UHFFFAOYSA-N -1 0 348.443 3.736 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1ccc(Cl)cc1COC ZINC001595050833 979281265 /nfs/dbraw/zinc/28/12/65/979281265.db2.gz ZLXVICWACHOIOK-UHFFFAOYSA-N -1 0 342.823 3.641 20 0 EHADRM CC(C)c1nn(C)c(Cl)c1C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000840943795 979281782 /nfs/dbraw/zinc/28/17/82/979281782.db2.gz NWVCRTQZUZQGMM-SNVBAGLBSA-N -1 0 349.818 3.637 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1[nH]c2c(cccc2Cl)c1C ZINC001595053651 979287586 /nfs/dbraw/zinc/28/75/86/979287586.db2.gz MEXZEGMUAUPUPV-UHFFFAOYSA-N -1 0 336.819 3.893 20 0 EHADRM C[C@](COC(=O)[C@H]1CC[C@@H](C(F)(F)F)C1)(C(=O)[O-])c1ccccc1 ZINC001592763739 979364582 /nfs/dbraw/zinc/36/45/82/979364582.db2.gz HGEBOOBTQFWNSS-NORZTCDRSA-N -1 0 344.329 3.551 20 0 EHADRM C[C@](COC(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1)(C(=O)[O-])c1ccccc1 ZINC001592763736 979364633 /nfs/dbraw/zinc/36/46/33/979364633.db2.gz HGEBOOBTQFWNSS-AXAPSJFSSA-N -1 0 344.329 3.551 20 0 EHADRM C[C@](COC(=O)C[C@]1(C)CC1(Cl)Cl)(C(=O)[O-])c1ccccc1 ZINC001592764937 979368106 /nfs/dbraw/zinc/36/81/06/979368106.db2.gz MQMYJTYRSAAQOO-HUUCEWRRSA-N -1 0 345.222 3.546 20 0 EHADRM C[C@@H](COCC(=O)Nc1cc(C(=O)[O-])ccc1Cl)c1ccccc1 ZINC001592770405 979382348 /nfs/dbraw/zinc/38/23/48/979382348.db2.gz UQYZODIDTYYFDE-LBPRGKRZSA-N -1 0 347.798 3.797 20 0 EHADRM Cc1ccc2c(CN3CC[C@@H](C(=O)[O-])c4ccccc43)cc(=O)oc2c1 ZINC000844240533 979384804 /nfs/dbraw/zinc/38/48/04/979384804.db2.gz IERVXANAGNSUAJ-QGZVFWFLSA-N -1 0 349.386 3.680 20 0 EHADRM C[C@@H](COCC1CCCCC1)Nc1ncc(C(=O)[O-])cc1Cl ZINC001592775346 979399256 /nfs/dbraw/zinc/39/92/56/979399256.db2.gz HPASSHOERQIACT-NSHDSACASA-N -1 0 326.824 3.831 20 0 EHADRM C[C@H](NC(=O)/C=C/C1CCCCCC1)c1ccc(OCC(=O)[O-])cc1 ZINC000846120193 979407978 /nfs/dbraw/zinc/40/79/78/979407978.db2.gz MMXDTFGAWOHWSD-NRUITVPNSA-N -1 0 345.439 3.854 20 0 EHADRM C[C@H](COc1ccc(F)cc1F)Nc1nc(Cl)c(C(=O)[O-])s1 ZINC001592780520 979409337 /nfs/dbraw/zinc/40/93/37/979409337.db2.gz HDQISSRJKVCXHY-ZCFIWIBFSA-N -1 0 348.758 3.652 20 0 EHADRM CCC(CC)[C@H](C)C(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12 ZINC001595105678 979425073 /nfs/dbraw/zinc/42/50/73/979425073.db2.gz CWKDNJNKTSLDID-LBPRGKRZSA-N -1 0 344.411 3.709 20 0 EHADRM C[C@@H](CS(=O)(=O)[C@H](C)c1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC001592788149 979428093 /nfs/dbraw/zinc/42/80/93/979428093.db2.gz PBYQFWWTUJWMEU-UONOGXRCSA-N -1 0 348.420 3.675 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)N2CCCCC[C@H]2C(=O)[O-])cc1 ZINC001595121298 979488780 /nfs/dbraw/zinc/48/87/80/979488780.db2.gz HSIKTGOYYDVJOA-KRWDZBQOSA-N -1 0 333.428 3.723 20 0 EHADRM O=C([O-])C[C@@H](CNc1nc(C(F)(F)F)nc2ccccc21)C1CC1 ZINC000849348946 979500109 /nfs/dbraw/zinc/50/01/09/979500109.db2.gz WFLLCTVGWPUEKP-JTQLQIEISA-N -1 0 339.317 3.561 20 0 EHADRM CC(C)[C@@H](c1ccccc1)N(C)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851594172 979505718 /nfs/dbraw/zinc/50/57/18/979505718.db2.gz GXKHDDFMKYOFCM-KSEUIEODSA-N -1 0 327.380 3.847 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001595125742 979509949 /nfs/dbraw/zinc/50/99/49/979509949.db2.gz HRXCYMVYWJROTR-HUUCEWRRSA-N -1 0 347.459 3.529 20 0 EHADRM Cc1ccc(C[C@H]2CCCN2C(=O)c2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC000851597239 979512956 /nfs/dbraw/zinc/51/29/56/979512956.db2.gz WFHSDSHUJZHIDZ-PXUDHTSWSA-N -1 0 339.391 3.533 20 0 EHADRM Cc1ccc(C[C@@H]2CCCN2C(=O)c2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC000851597243 979513137 /nfs/dbraw/zinc/51/31/37/979513137.db2.gz WFHSDSHUJZHIDZ-SOGBHIHOSA-N -1 0 339.391 3.533 20 0 EHADRM CC(C)c1ccc(C[C@H](C)NC(=O)c2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC000851604426 979528074 /nfs/dbraw/zinc/52/80/74/979528074.db2.gz XRVRPCRMNUPNDA-MARXPDLDSA-N -1 0 341.407 3.862 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N2CCCC3(CCCCC3)CC2)o1 ZINC000851607712 979533666 /nfs/dbraw/zinc/53/36/66/979533666.db2.gz RJKHPQDMZDNQQD-SOFGYWHQSA-N -1 0 331.412 3.954 20 0 EHADRM CC[C@H](CN(CC)C(=O)c1oc(C(=O)[O-])cc1C)c1ccccc1 ZINC001595129815 979539155 /nfs/dbraw/zinc/53/91/55/979539155.db2.gz SGWQQHRZKQGKAQ-CQSZACIVSA-N -1 0 329.396 3.942 20 0 EHADRM CC[C@H](CCc1ccccc1)NC(=O)Nc1cc(C(=O)[O-])cs1 ZINC001595130299 979540813 /nfs/dbraw/zinc/54/08/13/979540813.db2.gz WJMNBASEMUAZMY-CQSZACIVSA-N -1 0 332.425 3.979 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001592829802 979551248 /nfs/dbraw/zinc/55/12/48/979551248.db2.gz CIYMPPTWVPBHOM-GFCCVEGCSA-N -1 0 347.411 3.569 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001592829829 979551507 /nfs/dbraw/zinc/55/15/07/979551507.db2.gz DFVHYCCVBHPARM-HOCLYGCPSA-N -1 0 349.496 3.812 20 0 EHADRM C[C@@H](NC(=O)c1cc(C(=O)[O-])ccc1Cl)C1CCC(F)CC1 ZINC000851623311 979558536 /nfs/dbraw/zinc/55/85/36/979558536.db2.gz OCYKXYVMDPHAKZ-GRZMOONWSA-N -1 0 327.783 3.685 20 0 EHADRM C[C@@](Cc1ccc(Cl)cc1)(NC(=O)CCC1CCCC1)C(=O)[O-] ZINC001592839403 979596920 /nfs/dbraw/zinc/59/69/20/979596920.db2.gz UYZZOCLJUASUNW-SFHVURJKSA-N -1 0 337.847 3.812 20 0 EHADRM CC[C@@H](CNC(=O)CC1c2ccccc2Oc2ccccc21)C(=O)[O-] ZINC001595140239 979600211 /nfs/dbraw/zinc/60/02/11/979600211.db2.gz HPVYUKJEOXBWHR-ZDUSSCGKSA-N -1 0 339.391 3.541 20 0 EHADRM CC[C@@H](CNC(=O)CC1(CC(=O)[O-])CCCC1)Oc1ccccc1C ZINC001595140594 979602002 /nfs/dbraw/zinc/60/20/02/979602002.db2.gz PTZKXIGDCOTWPT-INIZCTEOSA-N -1 0 347.455 3.694 20 0 EHADRM CC[C@@](C)([N-]S(=O)(=O)Cc1c(F)cccc1Cl)C(F)(F)F ZINC000579796639 1014588157 /nfs/dbraw/zinc/58/81/57/1014588157.db2.gz BRYLRWVNYITWDO-LLVKDONJSA-N -1 0 347.761 3.630 20 0 EHADRM CC[C@@](CNC(=O)Nc1c(F)cccc1F)(C(=O)[O-])c1ccccc1 ZINC001595150322 979640793 /nfs/dbraw/zinc/64/07/93/979640793.db2.gz RYIHVBSZPMWDSD-SFHVURJKSA-N -1 0 348.349 3.519 20 0 EHADRM CC[C@H](CNC(=O)Nc1ccc(-c2ccccc2)cc1C)C(=O)[O-] ZINC001595153031 979650184 /nfs/dbraw/zinc/65/01/84/979650184.db2.gz RJHIIJHZRCSXEC-CQSZACIVSA-N -1 0 326.396 3.894 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N(C)[C@@H](C)c2ccco2)cc1)C(=O)[O-] ZINC001592858229 979670755 /nfs/dbraw/zinc/67/07/55/979670755.db2.gz GJSCYQXJNFBOOC-OLZOCXBDSA-N -1 0 330.384 3.768 20 0 EHADRM C[C@H](c1ccco1)N(C)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001592858230 979671129 /nfs/dbraw/zinc/67/11/29/979671129.db2.gz GJSCYQXJNFBOOC-QWHCGFSZSA-N -1 0 330.384 3.768 20 0 EHADRM CC[C@@](CNC(=O)c1c(F)cccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001595159801 979678517 /nfs/dbraw/zinc/67/85/17/979678517.db2.gz MLROWNIJXAYLFD-SFHVURJKSA-N -1 0 349.789 3.642 20 0 EHADRM Cc1ccc([C@@H](NC(=O)/C=C/c2cc(C(=O)[O-])co2)C2CC2)cc1 ZINC000864101849 979685836 /nfs/dbraw/zinc/68/58/36/979685836.db2.gz RQYPGPHGAHNFTL-GFOMBABLSA-N -1 0 325.364 3.567 20 0 EHADRM CC[C@H]1c2ccsc2CCN1C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000864104951 979690973 /nfs/dbraw/zinc/69/09/73/979690973.db2.gz WULRHJYXHXYMDT-XGACYXMMSA-N -1 0 331.393 3.589 20 0 EHADRM Cc1ccc(CN(C(=O)/C=C/c2cc(C(=O)[O-])co2)C(C)C)s1 ZINC000864106789 979693842 /nfs/dbraw/zinc/69/38/42/979693842.db2.gz SOLGFWMBELZOOO-FNORWQNLSA-N -1 0 333.409 3.798 20 0 EHADRM O=C([O-])c1coc(/C=C\C(=O)N(Cc2ccccc2)CC2CCC2)c1 ZINC000864106943 979695140 /nfs/dbraw/zinc/69/51/40/979695140.db2.gz WBEQGMHFNPCXJX-KTKRTIGZSA-N -1 0 339.391 3.820 20 0 EHADRM O=C([O-])c1coc(/C=C\C(=O)N2CCCCC[C@@H]2c2ccco2)c1 ZINC000864110731 979701802 /nfs/dbraw/zinc/70/18/02/979701802.db2.gz ICDQUQQUBSUVEJ-ZPIQOJFGSA-N -1 0 329.352 3.728 20 0 EHADRM CC(C)[C@@H]1N(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)CC12CCC2 ZINC001592861799 979702524 /nfs/dbraw/zinc/70/25/24/979702524.db2.gz XHDOKHQZVVFHBO-PBHICJAKSA-N -1 0 344.455 3.992 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)cc1C(=O)[O-] ZINC000864113906 979706108 /nfs/dbraw/zinc/70/61/08/979706108.db2.gz WZSPWGGAHCMKDR-QAPCUYQASA-N -1 0 337.419 3.959 20 0 EHADRM CC(C)(C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)[C@H]1CCCCO1 ZINC000864122750 979720313 /nfs/dbraw/zinc/72/03/13/979720313.db2.gz VOJMGMQGOUDKNQ-CYBMUJFWSA-N -1 0 325.792 3.572 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000864124715 979724518 /nfs/dbraw/zinc/72/45/18/979724518.db2.gz GKLGJMNUQRZMRA-YFHOEESVSA-N -1 0 343.379 3.936 20 0 EHADRM Cc1ccc(C(=O)N2CCSC[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC000864125304 979725270 /nfs/dbraw/zinc/72/52/70/979725270.db2.gz RXQFFLIVTROXNV-QGZVFWFLSA-N -1 0 341.432 3.624 20 0 EHADRM Cc1ccc(C(=O)N2CCC[C@H]2Cc2ccc(F)cc2)cc1C(=O)[O-] ZINC000864127805 979728364 /nfs/dbraw/zinc/72/83/64/979728364.db2.gz HVWHKKNDYAHWIP-KRWDZBQOSA-N -1 0 341.382 3.680 20 0 EHADRM CCCC[C@@H](NC(=O)c1ccc(-c2ccccc2OC)s1)C(=O)[O-] ZINC000864132534 979734378 /nfs/dbraw/zinc/73/43/78/979734378.db2.gz BAAQDMWUMUCDMX-CYBMUJFWSA-N -1 0 347.436 3.797 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)o1 ZINC000864143350 979748892 /nfs/dbraw/zinc/74/88/92/979748892.db2.gz IUHURQISTTXSEM-HRNUACCPSA-N -1 0 343.354 3.583 20 0 EHADRM C[C@]1(Cc2ccccc2)CCCN1C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000864144392 979749873 /nfs/dbraw/zinc/74/98/73/979749873.db2.gz RYQBZDBRIRWFDI-NDDJGDGRSA-N -1 0 339.391 3.615 20 0 EHADRM CC[C@@H](C)CCCCC(=O)[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000784921844 1014599017 /nfs/dbraw/zinc/59/90/17/1014599017.db2.gz SFKYYECETSTNKW-LLVKDONJSA-N -1 0 331.503 3.776 20 0 EHADRM C[C@H](Cc1ccc(Nc2ncnc3ccc(F)cc32)cc1)C(=O)[O-] ZINC001592883121 979757371 /nfs/dbraw/zinc/75/73/71/979757371.db2.gz MHBAUUGAPQDSLD-LLVKDONJSA-N -1 0 325.343 3.776 20 0 EHADRM CC[C@@H](CC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1)C(C)(C)C ZINC000864150586 979760602 /nfs/dbraw/zinc/76/06/02/979760602.db2.gz VDMUMWZOLGWKHQ-MGPUTAFESA-N -1 0 331.456 3.704 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)N(C)c1ccccc1C(=O)[O-] ZINC001592883616 979761952 /nfs/dbraw/zinc/76/19/52/979761952.db2.gz USINEGHDXORXOJ-GFCCVEGCSA-N -1 0 331.799 3.880 20 0 EHADRM O=C([O-])C[C@@H](CNC(=O)CCc1ccc(F)c2ccccc12)C1CC1 ZINC000864156054 979767753 /nfs/dbraw/zinc/76/77/53/979767753.db2.gz WJKQYHNOBBUSJJ-HNNXBMFYSA-N -1 0 343.398 3.529 20 0 EHADRM CC[C@H](c1cccc(OC)c1)N(C)C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000864157541 979769368 /nfs/dbraw/zinc/76/93/68/979769368.db2.gz NFJNOJZJMDNYBN-KBOKABMXSA-N -1 0 343.379 3.609 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC001592885443 979769569 /nfs/dbraw/zinc/76/95/69/979769569.db2.gz NKELRAQQRWJWBH-LBPRGKRZSA-N -1 0 332.783 3.751 20 0 EHADRM Cc1cc(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)c(C)n1C1CCCCC1 ZINC000864163651 979783908 /nfs/dbraw/zinc/78/39/08/979783908.db2.gz WGLCOKHDGVZUEB-OAHLLOKOSA-N -1 0 330.428 3.513 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)N1[C@H](C)CC(C(=O)[O-])C[C@H]1C ZINC001592891888 979786034 /nfs/dbraw/zinc/78/60/34/979786034.db2.gz SEHVYGKLUHYDAT-JHJVBQTASA-N -1 0 337.847 3.619 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)NC(=O)Nc1ccc(C(=O)[O-])s1 ZINC001592891973 979787006 /nfs/dbraw/zinc/78/70/06/979787006.db2.gz TVGVMEIZCRUROC-VIFPVBQESA-N -1 0 338.816 3.852 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@@H](Cc3ccccc3)[C@@H]2C)cc1C(=O)[O-] ZINC000864177080 979820638 /nfs/dbraw/zinc/82/06/38/979820638.db2.gz FGMTVZSAZQPLOV-RDJZCZTQSA-N -1 0 337.419 3.787 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@@H](Cc3ccccc3)[C@H]2C)cc1C(=O)[O-] ZINC000864177081 979821524 /nfs/dbraw/zinc/82/15/24/979821524.db2.gz FGMTVZSAZQPLOV-WBVHZDCISA-N -1 0 337.419 3.787 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000864177528 979822560 /nfs/dbraw/zinc/82/25/60/979822560.db2.gz OFEKCIVVDLEADS-ZDYYMQGASA-N -1 0 339.391 3.784 20 0 EHADRM Cc1cc(C(=O)N[C@@](C)(CC(=O)[O-])C2CC2)c(C)n1C1CCCCC1 ZINC000864198586 979869757 /nfs/dbraw/zinc/86/97/57/979869757.db2.gz XZRLMPWRDXAUHB-FQEVSTJZSA-N -1 0 346.471 3.983 20 0 EHADRM O=C([O-])C1(C(=O)N2CCC(c3ccc(F)cc3)CC2)CC2(CCC2)C1 ZINC000864218351 979907655 /nfs/dbraw/zinc/90/76/55/979907655.db2.gz USHPQNYQTGGMFC-UHFFFAOYSA-N -1 0 345.414 3.567 20 0 EHADRM CSCCCCCCC(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000864228931 979922489 /nfs/dbraw/zinc/92/24/89/979922489.db2.gz SLJNNDCRQXOGJM-CQSZACIVSA-N -1 0 335.469 3.905 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)[C@@H](C)Cc2ccc(F)cc2)c1 ZINC000864229991 979926445 /nfs/dbraw/zinc/92/64/45/979926445.db2.gz POWAELPTSIHRBQ-KBXCAEBGSA-N -1 0 343.398 3.645 20 0 EHADRM Cn1cc(CNc2ccc3c(C(=O)[O-])c[nH]c3c2)c(C(C)(C)C)n1 ZINC000871066413 979955661 /nfs/dbraw/zinc/95/56/61/979955661.db2.gz YVAWXHJYVFLTDG-UHFFFAOYSA-N -1 0 326.400 3.509 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC001595211718 979993943 /nfs/dbraw/zinc/99/39/43/979993943.db2.gz UYJMRBBLZGHHBS-KRWDZBQOSA-N -1 0 331.456 3.810 20 0 EHADRM O=C(Nc1cccc(SC(F)F)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160233294 1014622046 /nfs/dbraw/zinc/62/20/46/1014622046.db2.gz UECWBEDYRYLYTR-UHFFFAOYSA-N -1 0 340.307 3.867 20 0 EHADRM CC[C@@H](Cc1cccs1)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC001595218571 980033262 /nfs/dbraw/zinc/03/32/62/980033262.db2.gz JXDKGXDMYRHKPR-LBPRGKRZSA-N -1 0 335.425 3.897 20 0 EHADRM CC[C@@H](NC(=O)C1(c2ccc(Cl)cc2Cl)CCCC1)C(=O)[O-] ZINC001595236542 980136668 /nfs/dbraw/zinc/13/66/68/980136668.db2.gz HMGVKQDQBZIQLI-CYBMUJFWSA-N -1 0 344.238 3.785 20 0 EHADRM CC[C@](NC(=O)[C@H]1C[C@H]1C1CCCC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595236595 980136887 /nfs/dbraw/zinc/13/68/87/980136887.db2.gz JPUBKHCKBPLPFO-TXPKVOOTSA-N -1 0 349.858 3.972 20 0 EHADRM CC[C@@](NC(=O)/C=C/c1ccc2[nH]ccc2c1)(C(=O)[O-])c1ccccc1 ZINC001595237867 980151476 /nfs/dbraw/zinc/15/14/76/980151476.db2.gz XWLNGAWQAYBOAI-ZUURVNMSSA-N -1 0 348.402 3.687 20 0 EHADRM CCN(C(=O)CCc1ccccc1C(=O)[O-])c1ccc(F)c(C)c1 ZINC000872765049 980152004 /nfs/dbraw/zinc/15/20/04/980152004.db2.gz NZAJNBIITKZRBT-UHFFFAOYSA-N -1 0 329.371 3.818 20 0 EHADRM C[C@H](NC(=O)[C@@H](F)CC1CCCCC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001592994088 980199669 /nfs/dbraw/zinc/19/96/69/980199669.db2.gz PBSDRLDKQPFTNA-QGTPRVQTSA-N -1 0 349.446 3.743 20 0 EHADRM CC[C@H](NC(=O)Nc1cc(C(=O)[O-])ccc1C)c1ccc(OC)cc1 ZINC001595253534 980232374 /nfs/dbraw/zinc/23/23/74/980232374.db2.gz ZWHMOEWCSSGVRV-INIZCTEOSA-N -1 0 342.395 3.975 20 0 EHADRM CC[C@](NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595258923 980259833 /nfs/dbraw/zinc/25/98/33/980259833.db2.gz GDDLLCLYJDKPDW-NALNUFGESA-N -1 0 349.858 3.972 20 0 EHADRM CC[C@@H](NC(=O)c1cc(C)c(C(=O)[O-])o1)C(C)(C)c1ccccc1 ZINC001595265314 980274638 /nfs/dbraw/zinc/27/46/38/980274638.db2.gz PJMLUVHVPRMCIG-OAHLLOKOSA-N -1 0 329.396 3.772 20 0 EHADRM CC[C@H](NC(=O)c1ccc(/C=C\C(=O)[O-])o1)c1ccc(F)cc1F ZINC001595269288 980285333 /nfs/dbraw/zinc/28/53/33/980285333.db2.gz YCJRSGDVDXLPEA-PODYEWJSSA-N -1 0 335.306 3.537 20 0 EHADRM Cn1cnc(-c2cccc(N[C@H]3CCC[C@@H](CCCC(=O)[O-])C3)c2)n1 ZINC000901441183 980289543 /nfs/dbraw/zinc/28/95/43/980289543.db2.gz FWGPIRWLACONAA-HOCLYGCPSA-N -1 0 342.443 3.708 20 0 EHADRM Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000901638261 980419395 /nfs/dbraw/zinc/41/93/95/980419395.db2.gz COLMBBAGSVPAHW-FGTMMUONSA-N -1 0 335.403 3.704 20 0 EHADRM CC[C@H](Nc1cc(CC(=O)[O-])ccn1)c1nc(C(F)(F)F)cs1 ZINC001595317489 980493753 /nfs/dbraw/zinc/49/37/53/980493753.db2.gz WFAKYBUKGLXRBG-VIFPVBQESA-N -1 0 345.346 3.747 20 0 EHADRM C[C@@H](Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1)C1CCOCC1 ZINC000901774664 980505273 /nfs/dbraw/zinc/50/52/73/980505273.db2.gz KQWSBPYYZCFMPS-CQSZACIVSA-N -1 0 332.444 3.602 20 0 EHADRM COc1ccc(C[C@H](C)Nc2cccc([C@H](C)C(=O)[O-])c2)cc1OC ZINC000901813859 980535048 /nfs/dbraw/zinc/53/50/48/980535048.db2.gz FFLBMBYUCDPREM-KBPBESRZSA-N -1 0 343.423 3.935 20 0 EHADRM COc1ccc([C@@H](NCc2ccc(SC)o2)C(=O)[O-])cc1Cl ZINC000901848470 980572746 /nfs/dbraw/zinc/57/27/46/980572746.db2.gz MJPCRRHSKXCHNJ-CQSZACIVSA-N -1 0 341.816 3.579 20 0 EHADRM Cc1cc(CNCc2cc(F)cc(C(F)(F)F)c2)oc1C(=O)[O-] ZINC000901941943 980641728 /nfs/dbraw/zinc/64/17/28/980641728.db2.gz LRLPVLKXJKODGZ-UHFFFAOYSA-N -1 0 331.265 3.734 20 0 EHADRM CC[C@H](OC(=O)c1cccc(CC(=O)[O-])c1)c1cccc(OC)c1 ZINC001595351714 980660733 /nfs/dbraw/zinc/66/07/33/980660733.db2.gz KDAUVCSFLKSMJZ-KRWDZBQOSA-N -1 0 328.364 3.630 20 0 EHADRM CC[C@@H](OC(=O)c1cccnc1SCc1ccc(F)cc1)C(=O)[O-] ZINC001595353616 980683751 /nfs/dbraw/zinc/68/37/51/980683751.db2.gz SYSPEHYCHXSVAG-CQSZACIVSA-N -1 0 349.383 3.533 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC001595355983 980707243 /nfs/dbraw/zinc/70/72/43/980707243.db2.gz UVDVRDYXWBPRNS-ROUUACIJSA-N -1 0 347.455 3.673 20 0 EHADRM CC[C@@H](OCCn1nc(C)c(CCC(=O)[O-])c1C)c1ccccc1 ZINC001595356824 980716070 /nfs/dbraw/zinc/71/60/70/980716070.db2.gz OSPAKMGKZFHHNO-GOSISDBHSA-N -1 0 330.428 3.685 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)OCc1ccccc1CC(=O)[O-] ZINC001595356922 980717343 /nfs/dbraw/zinc/71/73/43/980717343.db2.gz NKTTXROLVLKZNS-SFHVURJKSA-N -1 0 342.391 3.523 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)N(CC(=O)[O-])C1CCCC1 ZINC001595356997 980718174 /nfs/dbraw/zinc/71/81/74/980718174.db2.gz QBVNXURKRPFCTN-KRWDZBQOSA-N -1 0 347.455 3.823 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001595357400 980722111 /nfs/dbraw/zinc/72/21/11/980722111.db2.gz YGVJKJQUGUCMTM-MRXNPFEDSA-N -1 0 327.380 3.798 20 0 EHADRM CC[C@H](Oc1ccccc1F)C(=O)OCc1cc(C(=O)[O-])ccc1C ZINC001595358041 980728433 /nfs/dbraw/zinc/72/84/33/980728433.db2.gz YWNCYWWYPJLDGS-INIZCTEOSA-N -1 0 346.354 3.733 20 0 EHADRM C[C@H](Nc1cccc(NC(=O)c2cccs2)c1)[C@H]1C[C@H]1C(=O)[O-] ZINC000902092604 980729255 /nfs/dbraw/zinc/72/92/55/980729255.db2.gz XJGYWOPQAZJIEV-ZLKJLUDKSA-N -1 0 330.409 3.522 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CNc1ccc(OCC(F)(F)F)cc1 ZINC000902128776 980748290 /nfs/dbraw/zinc/74/82/90/980748290.db2.gz GNUAGEBWRPWMNF-UHFFFAOYSA-N -1 0 329.274 3.839 20 0 EHADRM COc1ccc(NCc2ccc(C(=O)[O-])o2)cc1OC1CCCC1 ZINC000902132809 980750737 /nfs/dbraw/zinc/75/07/37/980750737.db2.gz RHHHSPMAAVMGMA-UHFFFAOYSA-N -1 0 331.368 3.920 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cccc(OC)c1F ZINC001595360589 980753049 /nfs/dbraw/zinc/75/30/49/980753049.db2.gz ISPRGAYFURIEIS-HNNXBMFYSA-N -1 0 345.370 3.512 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@H](C)OC1CCCCC1 ZINC001595361447 980761845 /nfs/dbraw/zinc/76/18/45/980761845.db2.gz IARDMZFGABWHBH-MAUKXSAKSA-N -1 0 347.455 3.789 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccc(C)c(F)c1F ZINC001595361512 980762443 /nfs/dbraw/zinc/76/24/43/980762443.db2.gz YTMZOGOXADALHE-HNNXBMFYSA-N -1 0 347.361 3.951 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cncc2ccccc21 ZINC001595361522 980762530 /nfs/dbraw/zinc/76/25/30/980762530.db2.gz YUCNOCCLOUJJPL-LJQANCHMSA-N -1 0 348.402 3.913 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@@H](C)Cc1ccccc1 ZINC001595361849 980765928 /nfs/dbraw/zinc/76/59/28/980765928.db2.gz QFWQHSQENWCPDD-LPHOPBHVSA-N -1 0 339.435 3.930 20 0 EHADRM CCc1oc(CN[C@@H]2CCOc3c(Cl)cccc32)cc1C(=O)[O-] ZINC000902175028 980768157 /nfs/dbraw/zinc/76/81/57/980768157.db2.gz FCKBMYZTPYIQAZ-CQSZACIVSA-N -1 0 335.787 3.807 20 0 EHADRM CCc1oc(CN[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cc1C(=O)[O-] ZINC000902194614 980777823 /nfs/dbraw/zinc/77/78/23/980777823.db2.gz CCCUEUQJHVKANI-MSOLQXFVSA-N -1 0 347.386 3.689 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(C)C)C(=O)c1cc(C(=O)[O-])on1 ZINC001595363347 980781409 /nfs/dbraw/zinc/78/14/09/980781409.db2.gz FOFYRDZKYXVAKQ-OAHLLOKOSA-N -1 0 330.384 3.622 20 0 EHADRM CCC1(C(=O)Nc2nc(C)c(C(=O)[O-])s2)CCC(F)(F)CC1 ZINC001595368084 980822749 /nfs/dbraw/zinc/82/27/49/980822749.db2.gz TZYZSWASHAQQMY-UHFFFAOYSA-N -1 0 332.372 3.694 20 0 EHADRM CCC1(C)CN(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)C1 ZINC001595370479 980841689 /nfs/dbraw/zinc/84/16/89/980841689.db2.gz MMHSIIBZXTYYSZ-UHFFFAOYSA-N -1 0 345.443 3.639 20 0 EHADRM C[C@H](Nc1ccc(F)cc1OCCC(F)(F)F)[C@@H]1C[C@H]1C(=O)[O-] ZINC000902392392 980867948 /nfs/dbraw/zinc/86/79/48/980867948.db2.gz GJQLPVBKIAARQT-INTQDDNPSA-N -1 0 335.297 3.678 20 0 EHADRM CCC1(CC)CN(c2ncc(C(=O)[O-])cc2C(F)(F)F)CCS1 ZINC001595376114 980902810 /nfs/dbraw/zinc/90/28/10/980902810.db2.gz MYGAIHLKZOQMEP-UHFFFAOYSA-N -1 0 348.390 3.911 20 0 EHADRM C[C@H]1[C@H](NCC(F)(F)c2ccc(F)cc2F)CC[C@H]1CC(=O)[O-] ZINC000902497047 980910514 /nfs/dbraw/zinc/91/05/14/980910514.db2.gz NDRNZVQLELKAPY-ISTVAULSSA-N -1 0 333.325 3.536 20 0 EHADRM C[C@]1(c2ccc(C(F)(F)F)cc2)CCCN1C(=O)CCCC(=O)[O-] ZINC000902516484 980916453 /nfs/dbraw/zinc/91/64/53/980916453.db2.gz GEYKPLLZPJGMAK-MRXNPFEDSA-N -1 0 343.345 3.798 20 0 EHADRM C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000902840067 980945573 /nfs/dbraw/zinc/94/55/73/980945573.db2.gz XMIHYTHYGKWREI-UBDQQSCGSA-N -1 0 329.440 3.672 20 0 EHADRM CC(C)Oc1ccc2ccccc2c1CN1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC000903617618 980995502 /nfs/dbraw/zinc/99/55/02/980995502.db2.gz PPPOOWFUFDUQJR-YOEHRIQHSA-N -1 0 331.387 3.624 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)C[C@@H]1CCO[C@H](CC)C1 ZINC001595409444 981007746 /nfs/dbraw/zinc/00/77/46/981007746.db2.gz YELKQQXBPXNEBJ-NXHRZFHOSA-N -1 0 347.455 3.646 20 0 EHADRM CC[C@@H]1CC[C@H](C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2Cl)O1 ZINC001595415581 981028982 /nfs/dbraw/zinc/02/89/82/981028982.db2.gz HLEDREDFMDVZDJ-DYLAAIIWSA-N -1 0 347.194 3.620 20 0 EHADRM CCC1CCC(N(C)C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CC1 ZINC001595420441 981035551 /nfs/dbraw/zinc/03/55/51/981035551.db2.gz LHFFMCNXAUIHJT-UHFFFAOYSA-N -1 0 336.407 3.885 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC001595439237 981074230 /nfs/dbraw/zinc/07/42/30/981074230.db2.gz CSGDXQQVDDBZGD-SQNIBIBYSA-N -1 0 331.456 3.795 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1CCc2cc(F)ccc21 ZINC000905006450 981085614 /nfs/dbraw/zinc/08/56/14/981085614.db2.gz OORBMACFTSASOJ-MRXNPFEDSA-N -1 0 327.355 3.755 20 0 EHADRM CSc1ccc(NC(=O)C[C@H]2CCC3(CCC3)O2)cc1C(=O)[O-] ZINC000905043474 981086802 /nfs/dbraw/zinc/08/68/02/981086802.db2.gz GVOQRXYUWDLIHI-GFCCVEGCSA-N -1 0 335.425 3.537 20 0 EHADRM CC[C@H]1CCCC[C@H]1OCC(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1 ZINC001595447712 981096439 /nfs/dbraw/zinc/09/64/39/981096439.db2.gz JGCDUEVTDLTFLZ-WMLDXEAASA-N -1 0 348.439 3.940 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cc(C(=O)[O-])sc1C ZINC001595447687 981096446 /nfs/dbraw/zinc/09/64/46/981096446.db2.gz IVFRFDUOWGQCOV-YPMHNXCESA-N -1 0 325.430 3.679 20 0 EHADRM CC[C@H]1CCCc2sc(NC(=O)NCc3cc(C(=O)[O-])co3)nc21 ZINC001595458975 981133834 /nfs/dbraw/zinc/13/38/34/981133834.db2.gz BCUOMTAUAZCOJV-VIFPVBQESA-N -1 0 349.412 3.586 20 0 EHADRM CC[C@@H]1CCCc2sc(NC(=O)c3c(C)coc3CC(=O)[O-])nc21 ZINC001595460399 981143708 /nfs/dbraw/zinc/14/37/08/981143708.db2.gz VQESCVSQESWBCP-SNVBAGLBSA-N -1 0 348.424 3.754 20 0 EHADRM CC[C@@H]1CCN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])[C@@H]1C ZINC001595460446 981144650 /nfs/dbraw/zinc/14/46/50/981144650.db2.gz WWAAWKWHANPQNX-FMKPAKJESA-N -1 0 332.444 3.669 20 0 EHADRM C[C@H](NCc1ccc(/C=C\C(=O)[O-])o1)c1cc(Cl)cc2c1OCC2 ZINC000905770665 981147758 /nfs/dbraw/zinc/14/77/58/981147758.db2.gz OQDIVXOEMDRTII-WYGGZMRJSA-N -1 0 347.798 3.817 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2OC)cc1 ZINC000906498743 981170012 /nfs/dbraw/zinc/17/00/12/981170012.db2.gz DLPVTAMLSGSCLZ-GFCCVEGCSA-N -1 0 343.379 3.823 20 0 EHADRM CC1=C(C)C[C@](C)(C(=O)N2CCc3cc(C(=O)[O-])ccc3C2)CC1 ZINC000907761757 981215987 /nfs/dbraw/zinc/21/59/87/981215987.db2.gz XZLGFAKOAPTTNK-HXUWFJFHSA-N -1 0 327.424 3.796 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2ccc(C3CCC3)cn2)C[C@H]1c1ccccc1 ZINC000907765859 981216666 /nfs/dbraw/zinc/21/66/66/981216666.db2.gz HXWKNIVDMHMRHP-JXFKEZNVSA-N -1 0 336.391 3.546 20 0 EHADRM CC[C@@H]1CN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 ZINC001595484108 981217177 /nfs/dbraw/zinc/21/71/77/981217177.db2.gz NOONVDLJOXJGOE-UDZFHETQSA-N -1 0 332.227 3.618 20 0 EHADRM C[C@@H](CC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)c1c[nH]c2ccccc21 ZINC000908036102 981256160 /nfs/dbraw/zinc/25/61/60/981256160.db2.gz WCLJOOMRNZGZRB-BLLLJJGKSA-N -1 0 330.428 3.667 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)c1ccc(/C=C\C(=O)[O-])o1)C(C)(C)C ZINC000908118858 981265968 /nfs/dbraw/zinc/26/59/68/981265968.db2.gz GIJVNLJQTMERIR-PXAMLJHWSA-N -1 0 342.395 3.598 20 0 EHADRM CC[C@@H]1c2ccc(OC)c(OC)c2CCN1Cc1ccc(C(=O)[O-])o1 ZINC001595500373 981272186 /nfs/dbraw/zinc/27/21/86/981272186.db2.gz YWQQVDSGDLPHNC-OAHLLOKOSA-N -1 0 345.395 3.504 20 0 EHADRM CC1(C(=O)N[C@@H]2CCSC3(CC(C(=O)[O-])C3)C2)CCCCCC1 ZINC000908163302 981273771 /nfs/dbraw/zinc/27/37/71/981273771.db2.gz AGAXRRXEDBJTDM-TXKKKEFDSA-N -1 0 339.501 3.592 20 0 EHADRM CC[C@@H]1c2ccsc2CCN1C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001595503861 981277595 /nfs/dbraw/zinc/27/75/95/981277595.db2.gz FIIRVRZXNFPOMP-CQSZACIVSA-N -1 0 333.384 3.735 20 0 EHADRM O=C([O-])C[C@@H](Cc1ccccc1)NC(=O)c1cscc1C(F)F ZINC000908230099 981285350 /nfs/dbraw/zinc/28/53/50/981285350.db2.gz ZRQWMIQUICOVRY-LLVKDONJSA-N -1 0 339.363 3.502 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC000908277924 981293845 /nfs/dbraw/zinc/29/38/45/981293845.db2.gz NSJDINKDLXNEDR-HOCLYGCPSA-N -1 0 347.455 3.586 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)CCCc2csc3ccccc23)C1 ZINC000908375208 981310035 /nfs/dbraw/zinc/31/00/35/981310035.db2.gz JJUAJOZFTNONPG-HIFRSBDPSA-N -1 0 345.464 3.984 20 0 EHADRM CC[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1OC)c1ccccc1 ZINC000908508154 981319950 /nfs/dbraw/zinc/31/99/50/981319950.db2.gz PHZFRDSPMVEQOR-CYBMUJFWSA-N -1 0 327.380 3.916 20 0 EHADRM O=C([O-])[C@H]1CC12CCN(C(=O)c1ccc(C3CCCC3)cc1)CC2 ZINC000908652749 981334328 /nfs/dbraw/zinc/33/43/28/981334328.db2.gz PSLXREYNJFNXCI-QGZVFWFLSA-N -1 0 327.424 3.671 20 0 EHADRM CC(C)(C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)C1CCC(O)CC1 ZINC000908683505 981338981 /nfs/dbraw/zinc/33/89/81/981338981.db2.gz FGWQLHMYJWTKER-UHFFFAOYSA-N -1 0 339.819 3.554 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000908835006 981371755 /nfs/dbraw/zinc/37/17/55/981371755.db2.gz MLYFBXHLUCJOBZ-HYVNUMGLSA-N -1 0 347.480 3.518 20 0 EHADRM CCC[C@@H](C(=O)NC[C@H](CC1CCCC1)C(=O)[O-])c1ccccc1 ZINC001595536216 981381072 /nfs/dbraw/zinc/38/10/72/981381072.db2.gz RVCSPVJIUIRCRC-ZWKOTPCHSA-N -1 0 331.456 3.968 20 0 EHADRM C[C@@H](c1ccc(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)cc1)C(F)(F)F ZINC000908968464 981393272 /nfs/dbraw/zinc/39/32/72/981393272.db2.gz ICEVPECMDODKHR-JOYOIKCWSA-N -1 0 331.334 3.582 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CCC[C@@H](O)c1ccccc1 ZINC000909087123 981416115 /nfs/dbraw/zinc/41/61/15/981416115.db2.gz SUZYWOHQKFQICD-QGZVFWFLSA-N -1 0 327.380 3.536 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1ccc(NCc2ccsc2)cc1 ZINC000909087410 981416410 /nfs/dbraw/zinc/41/64/10/981416410.db2.gz YZKLZFMSHXJXOY-UHFFFAOYSA-N -1 0 346.452 3.735 20 0 EHADRM CCC[C@@](C)(NC(=O)CSc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001595547369 981420113 /nfs/dbraw/zinc/42/01/13/981420113.db2.gz RCKUMWWYKPHAPE-GOSISDBHSA-N -1 0 337.485 3.836 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)CC[C@@H]2CC(C)(C)CO2)cc1 ZINC000909287842 981460181 /nfs/dbraw/zinc/46/01/81/981460181.db2.gz DEEXEJFQJFISFZ-OAHLLOKOSA-N -1 0 333.428 3.583 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Cc1nc(-c2ccccc2)cs1 ZINC000909377141 981477065 /nfs/dbraw/zinc/47/70/65/981477065.db2.gz LOQJIVNMMCURJS-UHFFFAOYSA-N -1 0 346.452 3.502 20 0 EHADRM C[C@@H]1C[C@@H]1[C@@H](NC(=O)c1ccoc1CC(=O)[O-])c1ccc(Cl)cc1 ZINC000909413299 981488229 /nfs/dbraw/zinc/48/82/29/981488229.db2.gz QFQFZCCVAJILSS-SEHCQNQUSA-N -1 0 347.798 3.687 20 0 EHADRM CCC[C@H](C)CCNS(=O)(=O)c1cccc2c(C(=O)[O-])cccc21 ZINC001595575130 981494494 /nfs/dbraw/zinc/49/44/94/981494494.db2.gz XEUJOEOVUBCKKR-ZDUSSCGKSA-N -1 0 349.452 3.643 20 0 EHADRM CCC[C@H](C)c1cc(NC(=O)Nc2ccc(C(=O)[O-])c(OC)c2)n[nH]1 ZINC001595578434 981500340 /nfs/dbraw/zinc/50/03/40/981500340.db2.gz DRRBAENARYPWJC-JTQLQIEISA-N -1 0 346.387 3.664 20 0 EHADRM CCc1c2ccccc2oc1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000909484334 981506339 /nfs/dbraw/zinc/50/63/39/981506339.db2.gz QCPGXNGVRRKVOG-CYBMUJFWSA-N -1 0 329.396 3.712 20 0 EHADRM CCC[C@@H](C)c1cc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)n[nH]1 ZINC001595579863 981511201 /nfs/dbraw/zinc/51/12/01/981511201.db2.gz UYZAHXMFMWCVKK-RGZNSWCXSA-N -1 0 333.432 3.677 20 0 EHADRM CS[C@@H](C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC000909520445 981526797 /nfs/dbraw/zinc/52/67/97/981526797.db2.gz QAVNMVBRIXDTIX-SUMWQHHRSA-N -1 0 343.448 3.993 20 0 EHADRM CCC[C@@H](CC)[S@](=O)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001595587325 981540660 /nfs/dbraw/zinc/54/06/60/981540660.db2.gz IZMYPXGFCUNKCX-IQMFZBJNSA-N -1 0 335.425 3.867 20 0 EHADRM CCC[C@H](CC)SCc1c(C(=O)OC)sc(N)c1C(=O)[O-] ZINC001595587866 981544957 /nfs/dbraw/zinc/54/49/57/981544957.db2.gz YOWILCQRVATISF-QMMMGPOBSA-N -1 0 331.459 3.627 20 0 EHADRM COCc1cc(NC(=O)CC(C)(C)CC(F)(F)F)cc(C(=O)[O-])c1 ZINC000909626997 981555261 /nfs/dbraw/zinc/55/52/61/981555261.db2.gz PEDYDRJRHJLBEK-UHFFFAOYSA-N -1 0 347.333 3.838 20 0 EHADRM CCC[C@@H](NC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1)C1CCC1 ZINC001595599451 981572005 /nfs/dbraw/zinc/57/20/05/981572005.db2.gz AVSJKLSBDWKNHZ-OAHLLOKOSA-N -1 0 329.400 3.956 20 0 EHADRM CC1(C)C[C@@H](NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c2ccccc21 ZINC000909724212 981580077 /nfs/dbraw/zinc/58/00/77/981580077.db2.gz KCMGPCLSNSCBMN-YMTQGWHGSA-N -1 0 341.451 3.950 20 0 EHADRM Cc1cccc(C)c1NCC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000909835572 981654773 /nfs/dbraw/zinc/65/47/73/981654773.db2.gz SVTCPGOTBSLOPW-CQSZACIVSA-N -1 0 326.396 3.542 20 0 EHADRM CCC[C@@H]1[C@@H](C)CCCN1C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001595620228 981686998 /nfs/dbraw/zinc/68/69/98/981686998.db2.gz ZXUMCOQPDCQELX-WMLDXEAASA-N -1 0 342.439 3.767 20 0 EHADRM CCC[C@@H]1C[C@@H](C(=O)Nc2ccc(OC(C)C)cc2C(=O)[O-])CCO1 ZINC001595620250 981687887 /nfs/dbraw/zinc/68/78/87/981687887.db2.gz ASDWUFHIMPOGMY-UONOGXRCSA-N -1 0 349.427 3.706 20 0 EHADRM CCC[C@H]1C[C@H](C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)CCO1 ZINC001595620875 981693619 /nfs/dbraw/zinc/69/36/19/981693619.db2.gz WFDXQVZUZJUHLG-ZJUUUORDSA-N -1 0 343.782 3.711 20 0 EHADRM CCC[C@H]1C[C@@H](C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)CCO1 ZINC001595620873 981693728 /nfs/dbraw/zinc/69/37/28/981693728.db2.gz WFDXQVZUZJUHLG-UWVGGRQHSA-N -1 0 343.782 3.711 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@H](C)c1ccccc1C)c1ccccc1 ZINC001594764241 981705910 /nfs/dbraw/zinc/70/59/10/981705910.db2.gz LCVNUFGMEDERQC-CRAIPNDOSA-N -1 0 325.408 3.995 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)OCC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC001594766661 981723674 /nfs/dbraw/zinc/72/36/74/981723674.db2.gz ZBEJZRUFUQCRIC-CYBMUJFWSA-N -1 0 349.427 3.526 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@@H]3C[C@H]3c3cccc(Cl)c3)(CC1)CC2 ZINC000910017540 981735697 /nfs/dbraw/zinc/73/56/97/981735697.db2.gz JVCYKAYDAJXGLE-WINGESFGSA-N -1 0 347.842 3.737 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1ccoc1CC(=O)[O-])CCC2 ZINC000910019819 981735763 /nfs/dbraw/zinc/73/57/63/981735763.db2.gz CLCUUSIVZZUFOJ-KRWDZBQOSA-N -1 0 341.407 3.838 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1cccc2c1O[C@H](C)C2)c1ccccc1 ZINC001594770079 981735912 /nfs/dbraw/zinc/73/59/12/981735912.db2.gz FMVUKFDWCNNMGV-CXAGYDPISA-N -1 0 339.391 3.520 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@@H]3CCCc4ccc(F)cc43)(CC1)CC2 ZINC000910021814 981736521 /nfs/dbraw/zinc/73/65/21/981736521.db2.gz JTKXAMUUUZCKTJ-PBPGXSGUSA-N -1 0 345.414 3.745 20 0 EHADRM CC[C@H](C(=O)Oc1ccc(C(=O)[O-])cc1OC)c1ccc(OC)cc1 ZINC001594777985 981771890 /nfs/dbraw/zinc/77/18/90/981771890.db2.gz HEPWSEGXXZSABC-HNNXBMFYSA-N -1 0 344.363 3.501 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@H]1CCCc2ccccc21 ZINC001594782496 981791567 /nfs/dbraw/zinc/79/15/67/981791567.db2.gz QMAZIJIQHKVQMA-PXNSSMCTSA-N -1 0 329.440 3.598 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)CCCc1ccc(OC)cc1 ZINC001594783732 981795959 /nfs/dbraw/zinc/79/59/59/981795959.db2.gz ZSWITGWDUDXCKD-FQEVSTJZSA-N -1 0 347.455 3.510 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)Cc1coc2ccc(C)cc12 ZINC001594783680 981796134 /nfs/dbraw/zinc/79/61/34/981796134.db2.gz ZEAAYBIGCJTIJH-FQEVSTJZSA-N -1 0 343.423 3.776 20 0 EHADRM CCn1ncc(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)c1C1CC1 ZINC000910244279 981812780 /nfs/dbraw/zinc/81/27/80/981812780.db2.gz GFXLOXAUCCOOKV-UHFFFAOYSA-N -1 0 349.390 3.884 20 0 EHADRM CN(C(=O)c1ccoc1CC(=O)[O-])[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000910250220 981823722 /nfs/dbraw/zinc/82/37/22/981823722.db2.gz DGNPARSUKHGOBJ-WBVHZDCISA-N -1 0 341.407 3.705 20 0 EHADRM CN(C(=O)c1csc(C(=O)[O-])n1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000910250488 981824956 /nfs/dbraw/zinc/82/49/56/981824956.db2.gz LOSRBKOXIOFUII-HIFRSBDPSA-N -1 0 344.436 3.640 20 0 EHADRM CCCC[C@H](CCC)CNC(=O)NC(C)(C)c1cc(C(=O)[O-])on1 ZINC001595632514 981856313 /nfs/dbraw/zinc/85/63/13/981856313.db2.gz HRODHCQEMBBQDM-LBPRGKRZSA-N -1 0 339.436 3.514 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(COC(C)C)cc1 ZINC001594792267 981861082 /nfs/dbraw/zinc/86/10/82/981861082.db2.gz NDUACEFTJYTMFQ-FQEVSTJZSA-N -1 0 347.455 3.717 20 0 EHADRM CCC(C)(C)C(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001594794129 981866731 /nfs/dbraw/zinc/86/67/31/981866731.db2.gz BRMFEYXIFOIWAV-UHFFFAOYSA-N -1 0 332.169 3.661 20 0 EHADRM C[C@@H](C(=O)N[C@@](C)(CC(=O)[O-])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000910313589 981868375 /nfs/dbraw/zinc/86/83/75/981868375.db2.gz KWGQZINXAZFLLV-HWPZZCPQSA-N -1 0 343.345 3.569 20 0 EHADRM CCCC[C@H](NC(=O)c1ccc(Oc2ncccc2C)cc1)C(=O)[O-] ZINC001595636548 981918624 /nfs/dbraw/zinc/91/86/24/981918624.db2.gz AOJOQDOVFYQHSZ-INIZCTEOSA-N -1 0 342.395 3.556 20 0 EHADRM CCCC[C@H](NC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1)C(=O)[O-] ZINC001595636626 981919778 /nfs/dbraw/zinc/91/97/78/981919778.db2.gz GOATUMJTORPGLU-MFKMUULPSA-N -1 0 331.334 3.726 20 0 EHADRM CCC(C)(C)OCc1ccccc1NC(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001594814464 981938943 /nfs/dbraw/zinc/93/89/43/981938943.db2.gz OYEYNUMPKAFJLT-ZBFHGGJFSA-N -1 0 348.443 3.767 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)Oc2ccc(C(=O)[O-])cc2)cc1 ZINC001594815893 981947017 /nfs/dbraw/zinc/94/70/17/981947017.db2.gz UDMXLRQZQKHRGI-UHFFFAOYSA-N -1 0 348.420 3.840 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)CCOc1cc(Cl)cc(Cl)c1 ZINC001594819236 981964306 /nfs/dbraw/zinc/96/43/06/981964306.db2.gz WCRSFTXVMNHSBV-OAHLLOKOSA-N -1 0 348.226 3.522 20 0 EHADRM CCCC[C@H](OC(=O)c1cc(Oc2ccccc2)ccn1)C(=O)[O-] ZINC001595644599 981979092 /nfs/dbraw/zinc/97/90/92/981979092.db2.gz HIVOUONZKIJJQV-INIZCTEOSA-N -1 0 329.352 3.674 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N2C[C@@H]3CC[C@H]2c2ccccc23)cc1 ZINC000910519860 981982771 /nfs/dbraw/zinc/98/27/71/981982771.db2.gz NMPOOVSSPOJPSQ-LPHOPBHVSA-N -1 0 335.403 3.778 20 0 EHADRM CCCC[C@@H](Nc1cccc(NC(=O)c2ccccc2)c1)C(=O)[O-] ZINC001595646658 982000546 /nfs/dbraw/zinc/00/05/46/982000546.db2.gz SQUAKXDOSQRGDD-QGZVFWFLSA-N -1 0 326.396 3.994 20 0 EHADRM CCCC[C@H](Nc1cccc(NC(=O)c2ccccc2)c1)C(=O)[O-] ZINC001595646657 982000554 /nfs/dbraw/zinc/00/05/54/982000554.db2.gz SQUAKXDOSQRGDD-KRWDZBQOSA-N -1 0 326.396 3.994 20 0 EHADRM CCCC[C@H](OC(=O)c1cc(C)sc1Br)C(=O)[O-] ZINC001595650016 982008361 /nfs/dbraw/zinc/00/83/61/982008361.db2.gz GABBONICARXEOD-VIFPVBQESA-N -1 0 335.219 3.619 20 0 EHADRM CC[C@](C)(CNC(=O)Nc1cccc2cc(C(=O)[O-])sc21)OC ZINC001594834642 982021550 /nfs/dbraw/zinc/02/15/50/982021550.db2.gz HSPOXUHNEKZYHO-MRXNPFEDSA-N -1 0 336.413 3.536 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1cccc(C(C)C)n1 ZINC000910620080 982025187 /nfs/dbraw/zinc/02/51/87/982025187.db2.gz DFQICRZKMGDEKI-UHFFFAOYSA-N -1 0 328.368 3.554 20 0 EHADRM CCCCN(C(=O)c1csc(C(=O)[O-])n1)[C@@H](C)c1ccc(C)o1 ZINC000910624292 982033074 /nfs/dbraw/zinc/03/30/74/982033074.db2.gz RXWCIJVLEQYZAE-NSHDSACASA-N -1 0 336.413 3.746 20 0 EHADRM CCCC[C@@H](S[C@@H](C)C(=O)Nc1cc(C)ccc1OC)C(=O)[O-] ZINC001595652698 982035785 /nfs/dbraw/zinc/03/57/85/982035785.db2.gz WKBHZPPJAGUHSM-SWLSCSKDSA-N -1 0 339.457 3.707 20 0 EHADRM CCCC[C@@H](S[C@H](C(=O)N1CCc2ccccc21)C(C)C)C(=O)[O-] ZINC001595652741 982035908 /nfs/dbraw/zinc/03/59/08/982035908.db2.gz XBRGYNCTAFRZMC-SJORKVTESA-N -1 0 349.496 3.977 20 0 EHADRM O=C([O-])CCc1csc(NC(=O)C2(c3ccccc3)CCCC2)n1 ZINC000910643673 982036581 /nfs/dbraw/zinc/03/65/81/982036581.db2.gz CABCOWGKLWQWHM-UHFFFAOYSA-N -1 0 344.436 3.611 20 0 EHADRM Cc1cn(C2CCCCC2)nc1NC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC000910647936 982039815 /nfs/dbraw/zinc/03/98/15/982039815.db2.gz MYBUZZTVOHCNFJ-UHFFFAOYSA-N -1 0 345.443 3.670 20 0 EHADRM CC[C@@H](C)n1nc(NC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1C ZINC000910649289 982040373 /nfs/dbraw/zinc/04/03/73/982040373.db2.gz FWIGMGKXTILJMZ-SECBINFHSA-N -1 0 335.791 3.766 20 0 EHADRM CC[C@@](C)(NC(=O)/C=C\c1cc(C(=O)[O-])co1)c1ccc(F)cc1 ZINC001594836853 982042012 /nfs/dbraw/zinc/04/20/12/982042012.db2.gz HUIOLKDLDXTAHY-CNZFZVQHSA-N -1 0 331.343 3.572 20 0 EHADRM O=C([O-])C12CCC(C(=O)Nc3nc(C4CCC4)cs3)(CC1)CC2 ZINC000910656882 982044289 /nfs/dbraw/zinc/04/42/89/982044289.db2.gz STKLJSVDSIHFHW-UHFFFAOYSA-N -1 0 334.441 3.774 20 0 EHADRM CCCC[C@H](SCC(=O)N[C@H](C)c1ccc(C)c(C)c1)C(=O)[O-] ZINC001595655613 982046206 /nfs/dbraw/zinc/04/62/06/982046206.db2.gz NAGUGBJPCKLVQN-ZBFHGGJFSA-N -1 0 337.485 3.857 20 0 EHADRM CCCC[C@@H](SCC(=O)N[C@H](C)c1ccc(C)c(C)c1)C(=O)[O-] ZINC001595655610 982046705 /nfs/dbraw/zinc/04/67/05/982046705.db2.gz NAGUGBJPCKLVQN-GDBMZVCRSA-N -1 0 337.485 3.857 20 0 EHADRM O=C([O-])Cc1c2ccccc2[nH]c1C(=O)Nc1ccc(C2CCC2)cn1 ZINC000910664502 982047318 /nfs/dbraw/zinc/04/73/18/982047318.db2.gz WBFWREZJJHCBCY-UHFFFAOYSA-N -1 0 349.390 3.710 20 0 EHADRM CCCC[C@H](SCC(=O)N1CCC[C@H]2CCCC[C@H]21)C(=O)[O-] ZINC001595656181 982051046 /nfs/dbraw/zinc/05/10/46/982051046.db2.gz VMQGFHLSIZZKIH-KFWWJZLASA-N -1 0 327.490 3.544 20 0 EHADRM CCCC[C@@H](Sc1cc(Cl)nc([C@@H]2CCCO2)n1)C(=O)[O-] ZINC001595656875 982056942 /nfs/dbraw/zinc/05/69/42/982056942.db2.gz FLQCOJIHDHQXEQ-VHSXEESVSA-N -1 0 330.837 3.717 20 0 EHADRM CCCCC1(NC(=O)c2cc(Br)cc(C(=O)[O-])c2)CC1 ZINC001595657246 982060939 /nfs/dbraw/zinc/06/09/39/982060939.db2.gz POQRTYKAAUJDDQ-UHFFFAOYSA-N -1 0 340.217 3.600 20 0 EHADRM CC(C)c1sc(NC(=O)C2(c3ccccc3)CC2)nc1C(=O)[O-] ZINC000910697273 982068358 /nfs/dbraw/zinc/06/83/58/982068358.db2.gz QSQDDWPXOSXHLK-UHFFFAOYSA-N -1 0 330.409 3.635 20 0 EHADRM COc1cc(C)sc1C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC000910698787 982068862 /nfs/dbraw/zinc/06/88/62/982068862.db2.gz HSGJDUNUIOMLLK-UHFFFAOYSA-N -1 0 340.426 3.596 20 0 EHADRM Cc1cccc(C2(C(=O)Nc3nc(C(=O)[O-])c(C(C)C)s3)CC2)c1 ZINC000910699010 982069736 /nfs/dbraw/zinc/06/97/36/982069736.db2.gz LLJWNGUQGWIZPO-UHFFFAOYSA-N -1 0 344.436 3.943 20 0 EHADRM CCCCC1CCC(NC(=O)Nc2cc(C)c(C(=O)[O-])cn2)CC1 ZINC001595660881 982073298 /nfs/dbraw/zinc/07/32/98/982073298.db2.gz NJMFZECBVFVIQC-UHFFFAOYSA-N -1 0 333.432 3.959 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(Br)c(C(=O)[O-])c1)C1CC1 ZINC000910708816 982076588 /nfs/dbraw/zinc/07/65/88/982076588.db2.gz YMDKYJWGQLIQIJ-MRVPVSSYSA-N -1 0 326.190 3.522 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)c2ccc(C)cc2C)nc1C(=O)[O-] ZINC000910723498 982085942 /nfs/dbraw/zinc/08/59/42/982085942.db2.gz PUFBTSFFCZGGRS-AWEZNQCLSA-N -1 0 344.436 3.744 20 0 EHADRM C/C=C(/C=C\C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1)CC ZINC000910723734 982087406 /nfs/dbraw/zinc/08/74/06/982087406.db2.gz ODDRDKBCFCZIST-VBGWPZPWSA-N -1 0 334.441 3.726 20 0 EHADRM CC[C@H](CC(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1)C(C)C ZINC000910735154 982097617 /nfs/dbraw/zinc/09/76/17/982097617.db2.gz ZEQKORHKOGCJGS-CHWSQXEVSA-N -1 0 338.473 3.886 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)c2cc(C)ccc2F)nc1C(=O)[O-] ZINC000910734968 982097817 /nfs/dbraw/zinc/09/78/17/982097817.db2.gz XRNZUBVHLITTBZ-CYBMUJFWSA-N -1 0 348.399 3.575 20 0 EHADRM Cc1ccccc1[C@H](C)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910739388 982100309 /nfs/dbraw/zinc/10/03/09/982100309.db2.gz NAOHBFCZDBIQRX-JTQLQIEISA-N -1 0 330.409 3.769 20 0 EHADRM CC(C)(C)SCCCC(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910739881 982100781 /nfs/dbraw/zinc/10/07/81/982100781.db2.gz CWPKHOAURZFYOT-UHFFFAOYSA-N -1 0 342.486 3.969 20 0 EHADRM CCCCC[C@H](NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001595669243 982113287 /nfs/dbraw/zinc/11/32/87/982113287.db2.gz GOLCFTNFIFABNH-PBHICJAKSA-N -1 0 349.471 3.901 20 0 EHADRM CCCCC[C@@H](NC(=O)NC[C@H](CC(=O)[O-])C1CC1)C(C)(C)C ZINC001595671992 982128422 /nfs/dbraw/zinc/12/84/22/982128422.db2.gz ARIUWMZDJKIMBA-LSDHHAIUSA-N -1 0 326.481 3.782 20 0 EHADRM O=C([O-])CC1CC(NC(=O)c2sccc2-c2ccc(F)cc2)C1 ZINC000910814058 982134342 /nfs/dbraw/zinc/13/43/42/982134342.db2.gz VZNZEXJQUIPYGI-UHFFFAOYSA-N -1 0 333.384 3.537 20 0 EHADRM CCCCC[C@@H](NC(=O)c1ccc(F)c(C(F)(F)F)c1)C(=O)[O-] ZINC001595681564 982163007 /nfs/dbraw/zinc/16/30/07/982163007.db2.gz RPFSQOUTAUMESM-GFCCVEGCSA-N -1 0 335.297 3.608 20 0 EHADRM CC[C@@H](C)[C@H](C(=O)OCc1cccc(C(=O)[O-])n1)c1ccccc1 ZINC001594873824 982196942 /nfs/dbraw/zinc/19/69/42/982196942.db2.gz QDFVLOPGVDTACZ-DYVFJYSZSA-N -1 0 327.380 3.653 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)o1 ZINC000911088084 982231593 /nfs/dbraw/zinc/23/15/93/982231593.db2.gz XQRDQPUXXMSVSE-LUAWRHEFSA-N -1 0 340.379 3.620 20 0 EHADRM CCCCCC[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001595697167 982238497 /nfs/dbraw/zinc/23/84/97/982238497.db2.gz HBJSCXFYHLAHIV-ZDUSSCGKSA-N -1 0 335.448 3.931 20 0 EHADRM CCCCCCNC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC001595712287 982306178 /nfs/dbraw/zinc/30/61/78/982306178.db2.gz OJIYIPQJJWBDNA-UHFFFAOYSA-N -1 0 343.427 3.514 20 0 EHADRM CCCCCCOc1ccc(C(=O)Nc2cccnc2C(=O)[O-])cc1 ZINC001595715690 982314829 /nfs/dbraw/zinc/31/48/29/982314829.db2.gz ZEDWELPJNIYWBV-UHFFFAOYSA-N -1 0 342.395 3.991 20 0 EHADRM O=c1cc(-c2nc(-c3cccc4ccccc43)no2)nc(C2CC2)[nH]1 ZINC000904533604 1032104080 /nfs/dbraw/zinc/10/40/80/1032104080.db2.gz QVYDEOAAAMWMMC-UHFFFAOYSA-N -1 0 330.347 3.930 20 0 EHADRM CN(CC1(O)CCCCCC1)C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000186906911 1014834157 /nfs/dbraw/zinc/83/41/57/1014834157.db2.gz CVFYHWPCOINKJS-UHFFFAOYSA-N -1 0 346.254 3.856 20 0 EHADRM CCCCN(C)c1ccc(C(=O)OCc2ccc(C(=O)[O-])o2)cc1 ZINC001595740698 982398423 /nfs/dbraw/zinc/39/84/23/982398423.db2.gz VHUGHBCJNXQZEW-UHFFFAOYSA-N -1 0 331.368 3.571 20 0 EHADRM CCCCN(C)c1ccc(C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])cc1 ZINC001595740751 982400104 /nfs/dbraw/zinc/40/01/04/982400104.db2.gz ZVQSUZHJDZNHEL-INIZCTEOSA-N -1 0 334.460 3.542 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)c1cc2c(s1)-c1ccccc1CC2)C(=O)[O-] ZINC001594912138 982420489 /nfs/dbraw/zinc/42/04/89/982420489.db2.gz NPEDZYXSLXALNA-BDJLRTHQSA-N -1 0 343.448 3.743 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)c1cc2cccc(Cl)c2s1)C(=O)[O-] ZINC001594912788 982425526 /nfs/dbraw/zinc/42/55/26/982425526.db2.gz ULAUIEWVNZBWAE-QPUJVOFHSA-N -1 0 325.817 3.784 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000911423686 982425785 /nfs/dbraw/zinc/42/57/85/982425785.db2.gz MYSQYNNXMCKQPJ-UHFFFAOYSA-N -1 0 342.395 3.919 20 0 EHADRM Cc1ncc(-c2ccccc2)cc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000911431221 982431056 /nfs/dbraw/zinc/43/10/56/982431056.db2.gz MZJOKHLCQJDMJS-UHFFFAOYSA-N -1 0 326.396 3.887 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1ccc(F)cc1OC(C)(C)C ZINC000911497971 982457431 /nfs/dbraw/zinc/45/74/31/982457431.db2.gz OKDWBACFCBIPIN-UHFFFAOYSA-N -1 0 335.331 3.855 20 0 EHADRM CC[C@@H](C)[C@@H](Nc1ccc(NC(=O)c2ccco2)c(C)c1)C(=O)[O-] ZINC001594920046 982460664 /nfs/dbraw/zinc/46/06/64/982460664.db2.gz GVNZWAAKIKXVQA-BDJLRTHQSA-N -1 0 330.384 3.752 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N1CCC(c2c(Cl)cccc2Cl)CC1 ZINC000911533299 982479836 /nfs/dbraw/zinc/47/98/36/982479836.db2.gz DVIFJAJWBXANNJ-SNVBAGLBSA-N -1 0 344.238 3.810 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCC[C@H]1c1ccc(F)cc1F ZINC000911545196 982488219 /nfs/dbraw/zinc/48/82/19/982488219.db2.gz PHQKIKGTGUTNIG-AWEZNQCLSA-N -1 0 325.355 3.519 20 0 EHADRM CCCCO[C@H]1C[C@@H](NC(=O)Nc2cc(C(=O)[O-])ccc2C)C1(C)C ZINC001595769243 982496626 /nfs/dbraw/zinc/49/66/26/982496626.db2.gz ABSQUZUJUYAUOX-CVEARBPZSA-N -1 0 348.443 3.799 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N2CCC(CC(F)(F)F)CC2)cc1 ZINC000911584722 982515663 /nfs/dbraw/zinc/51/56/63/982515663.db2.gz XZQHLEJOCWGDIK-UHFFFAOYSA-N -1 0 343.345 3.508 20 0 EHADRM CCCCOc1ccc(-c2nnc(CS[C@@H](C)C(=O)[O-])o2)cc1 ZINC001595774119 982527822 /nfs/dbraw/zinc/52/78/22/982527822.db2.gz IALBALZDERFTSQ-NSHDSACASA-N -1 0 336.413 3.622 20 0 EHADRM CC[C@H](C)[C@H](Sc1nccn1-c1ccc(N(C)C)cc1)C(=O)[O-] ZINC001594929799 982549361 /nfs/dbraw/zinc/54/93/61/982549361.db2.gz VCUOAZYWVDRZSY-WFASDCNBSA-N -1 0 333.457 3.530 20 0 EHADRM CC[C@@H](C)[C@H](OC)C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC001594930679 982554386 /nfs/dbraw/zinc/55/43/86/982554386.db2.gz ZGIXSZUINMKUFZ-YGRLFVJLSA-N -1 0 339.457 3.715 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCc2cc(Cl)c(Cl)cc2[C@@H]1C ZINC000911651015 982584033 /nfs/dbraw/zinc/58/40/33/982584033.db2.gz KMJFCUADTDVIFU-ZJUUUORDSA-N -1 0 344.238 3.940 20 0 EHADRM CCCCS[C@H](C)C(=O)Nc1ncc(C(=O)[O-])c2ccccc21 ZINC001595789229 982587740 /nfs/dbraw/zinc/58/77/40/982587740.db2.gz QONWXEWPGGSWHL-LLVKDONJSA-N -1 0 332.425 3.793 20 0 EHADRM CCCCSc1nnc(S[C@H](C)c2nc(C(=O)[O-])co2)s1 ZINC001595792834 982594167 /nfs/dbraw/zinc/59/41/67/982594167.db2.gz ZQAFXTQKJKZRLS-SSDOTTSWSA-N -1 0 345.471 3.970 20 0 EHADRM CCCCc1ccc(OS(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1 ZINC001595797461 982606608 /nfs/dbraw/zinc/60/66/08/982606608.db2.gz WISLBIDWNMKFNS-UHFFFAOYSA-N -1 0 348.420 3.804 20 0 EHADRM CCCCc1ccc(N(C)C(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC001595797519 982606874 /nfs/dbraw/zinc/60/68/74/982606874.db2.gz XNDYCVXPBOPNIV-QBFSEMIESA-N -1 0 327.380 3.997 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)COc1ccc(C(C)C)c(C)c1)C(=O)[O-] ZINC001594943547 982623135 /nfs/dbraw/zinc/62/31/35/982623135.db2.gz WWQAIJMZYMEFJZ-GUYCJALGSA-N -1 0 335.444 3.503 20 0 EHADRM CCc1ccc([C@H]2CCN(C(=O)c3ccc(/C=C/C(=O)[O-])o3)C2)cc1 ZINC000911756138 982633672 /nfs/dbraw/zinc/63/36/72/982633672.db2.gz FXEKPVNLQPZTNJ-DZZUKKPASA-N -1 0 339.391 3.570 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)NC[C@@H](c1ccccc1)C1CC1 ZINC000911757972 982634597 /nfs/dbraw/zinc/63/45/97/982634597.db2.gz UOHPLXAKGGAVFY-IBGZPJMESA-N -1 0 337.419 3.627 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)c1cccc(-c2csc(C)n2)c1)C(=O)[O-] ZINC001594945716 982634743 /nfs/dbraw/zinc/63/47/43/982634743.db2.gz GLVPOEBWVCRJBS-XHDPSFHLSA-N -1 0 346.452 3.738 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)N[C@@H](C[C@H](C)CC)C(=O)[O-])cc1 ZINC001594947010 982645823 /nfs/dbraw/zinc/64/58/23/982645823.db2.gz WNJBGZZLXLKBLL-DYVFJYSZSA-N -1 0 335.444 3.873 20 0 EHADRM CCCN(C(=O)[C@H](C)c1ccc(C(F)(F)F)cc1)[C@@H](C)C(=O)[O-] ZINC001595813183 982653384 /nfs/dbraw/zinc/65/33/84/982653384.db2.gz HOSAFTXXEOYNAQ-MNOVXSKESA-N -1 0 331.334 3.521 20 0 EHADRM CCCN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)[C@@H](C)C(=O)[O-] ZINC001595814750 982661259 /nfs/dbraw/zinc/66/12/59/982661259.db2.gz SYPVYFOWSADXGP-TVYUQYBPSA-N -1 0 344.238 3.809 20 0 EHADRM CC[C@@H](C)C[C@H](Nc1nc(-c2cc(F)cc(F)c2)ns1)C(=O)[O-] ZINC001594952095 982663754 /nfs/dbraw/zinc/66/37/54/982663754.db2.gz FTGMPIWCEZVTOH-PELKAZGASA-N -1 0 341.383 3.785 20 0 EHADRM CCCN(C(=O)N[C@@H]1CC=C(C(=O)[O-])C1)[C@@H](CC)c1ccccc1 ZINC001595821303 982688750 /nfs/dbraw/zinc/68/87/50/982688750.db2.gz KDPXHTHXHNEXJU-SJORKVTESA-N -1 0 330.428 3.733 20 0 EHADRM CCCN(C(=O)Cc1csc2cc(C)sc12)[C@@H](C)C(=O)[O-] ZINC001595822553 982693503 /nfs/dbraw/zinc/69/35/03/982693503.db2.gz QUSZRYNOEYTOLS-JTQLQIEISA-N -1 0 325.455 3.525 20 0 EHADRM Cc1ccc(CC(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1Cl ZINC000923048736 982698590 /nfs/dbraw/zinc/69/85/90/982698590.db2.gz ZOLZCBMJXJTCFD-ZDUSSCGKSA-N -1 0 337.828 3.585 20 0 EHADRM CCCN(C(=O)c1cc(C(=O)[O-])co1)[C@@H](C)c1ccccc1OC ZINC001595824315 982701844 /nfs/dbraw/zinc/70/18/44/982701844.db2.gz CHOFUGUHFZLOCR-LBPRGKRZSA-N -1 0 331.368 3.600 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)C[C@H]2CC=CCC2)cc1 ZINC000923065357 982703789 /nfs/dbraw/zinc/70/37/89/982703789.db2.gz ADGJGKFJYNYHFJ-BBRMVZONSA-N -1 0 333.453 3.787 20 0 EHADRM CCCN(C(=O)[C@H]1CC[C@H]1C(=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC001595824916 982708228 /nfs/dbraw/zinc/70/82/28/982708228.db2.gz ZKNORXSEAWXQMB-AEGPPILISA-N -1 0 329.396 3.843 20 0 EHADRM CCCN(C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3)[C@H](C)C(=O)[O-] ZINC001595829867 982716103 /nfs/dbraw/zinc/71/61/03/982716103.db2.gz GTUMJVRKFXKOID-CYBMUJFWSA-N -1 0 342.439 3.762 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)[C@H]1SCCc2ccccc21 ZINC000923090304 982716432 /nfs/dbraw/zinc/71/64/32/982716432.db2.gz GMMUTILUGMBWAZ-AWEZNQCLSA-N -1 0 333.434 3.724 20 0 EHADRM COc1ccc(OCCCC(=O)Nc2cc(C(=O)[O-])sc2C)cc1 ZINC000923093047 982717877 /nfs/dbraw/zinc/71/78/77/982717877.db2.gz XDKMDNAUCGOSPC-UHFFFAOYSA-N -1 0 349.408 3.561 20 0 EHADRM COc1ccc2c(c1)CC[C@H](C(=O)Nc1cc(C(=O)[O-])sc1C)C2 ZINC000923093417 982718354 /nfs/dbraw/zinc/71/83/54/982718354.db2.gz TXVPFGVUYUWXKR-ZDUSSCGKSA-N -1 0 345.420 3.507 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)nc1C(=O)[O-] ZINC000923107098 982729575 /nfs/dbraw/zinc/72/95/75/982729575.db2.gz MLVQLWMDYKMXOS-XJFOESAGSA-N -1 0 348.468 3.640 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)CCCc1ccc(CC(C)C)cc1 ZINC001594971490 982740452 /nfs/dbraw/zinc/74/04/52/982740452.db2.gz IOITYXKYDIMYCI-INIZCTEOSA-N -1 0 333.472 3.920 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 ZINC001594977334 982755468 /nfs/dbraw/zinc/75/54/68/982755468.db2.gz KXNPLXXLRVVEQM-STQMWFEESA-N -1 0 342.439 3.618 20 0 EHADRM CCCN(CC(=O)Nc1ccccc1C(=O)[O-])c1ccc(CC)cc1 ZINC001595846079 982770853 /nfs/dbraw/zinc/77/08/53/982770853.db2.gz KDUAQHJVEFERLK-UHFFFAOYSA-N -1 0 340.423 3.802 20 0 EHADRM CCCN(CC(C)C)C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001595863219 982805841 /nfs/dbraw/zinc/80/58/41/982805841.db2.gz XNUWHSAVBKEHGS-UHFFFAOYSA-N -1 0 347.459 3.885 20 0 EHADRM CCCN(CC(F)(F)F)C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001595863804 982809719 /nfs/dbraw/zinc/80/97/19/982809719.db2.gz FJYFPWMFRIAKIR-UHFFFAOYSA-N -1 0 336.285 3.639 20 0 EHADRM O=C([O-])CCC1(NC(=O)c2cccc(C(F)F)c2)CCCCC1 ZINC000923214409 982845982 /nfs/dbraw/zinc/84/59/82/982845982.db2.gz PLMWVELVJKHRIG-UHFFFAOYSA-N -1 0 325.355 3.922 20 0 EHADRM CCCN(CC1CC1)C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001595870619 982854814 /nfs/dbraw/zinc/85/48/14/982854814.db2.gz RRWHQZNUERBPCA-UHFFFAOYSA-N -1 0 328.771 3.831 20 0 EHADRM CC[C@@H](C)Oc1cc(C)ccc1CNCc1ncc(C(=O)[O-])s1 ZINC001594996719 982901465 /nfs/dbraw/zinc/90/14/65/982901465.db2.gz ODYTVFQFLFVDPW-GFCCVEGCSA-N -1 0 334.441 3.617 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2F)cc1 ZINC001594999198 982905667 /nfs/dbraw/zinc/90/56/67/982905667.db2.gz BAEWIMCBZQMFQL-LBPRGKRZSA-N -1 0 345.370 3.631 20 0 EHADRM CC[C@@H](C)Oc1cc(CNc2cccc(CC(=O)[O-])n2)ccc1OC ZINC001594999412 982907033 /nfs/dbraw/zinc/90/70/33/982907033.db2.gz GBBOACPYAGQBTG-CYBMUJFWSA-N -1 0 344.411 3.507 20 0 EHADRM CC[C@H](C)Oc1ccc(-c2noc(-c3ccc(C(=O)[O-])[nH]3)n2)cc1 ZINC001594999979 982911010 /nfs/dbraw/zinc/91/10/10/982911010.db2.gz QXZWTEJQWQQLJS-JTQLQIEISA-N -1 0 327.340 3.607 20 0 EHADRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2F)c2ccc(F)cc2n1 ZINC001116480769 982930746 /nfs/dbraw/zinc/93/07/46/982930746.db2.gz REFYHDQSBYALKX-UHFFFAOYSA-N -1 0 342.301 3.772 20 0 EHADRM CC[C@@H](C)c1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2F)cc1 ZINC001595009900 982937533 /nfs/dbraw/zinc/93/75/33/982937533.db2.gz LBYNGURTNUKACN-GFCCVEGCSA-N -1 0 329.371 3.967 20 0 EHADRM CC[C@@H](C)c1ccc(C(=O)COC(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001595010633 982942571 /nfs/dbraw/zinc/94/25/71/982942571.db2.gz VRXMORFALZROSM-LLVKDONJSA-N -1 0 330.336 3.531 20 0 EHADRM CC[C@H](C)c1cccc(NC(=O)NC(C)(C)c2nocc2C(=O)[O-])c1 ZINC001595014212 982951199 /nfs/dbraw/zinc/95/11/99/982951199.db2.gz PIGBFDYEMXIBOM-NSHDSACASA-N -1 0 345.399 3.943 20 0 EHADRM CCCN(Cc1ccccc1F)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001595900346 982952404 /nfs/dbraw/zinc/95/24/04/982952404.db2.gz ZSLHTFMZQUCYDE-UHFFFAOYSA-N -1 0 330.359 3.968 20 0 EHADRM CC[C@H](C)c1ccccc1OS(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001595015171 982959842 /nfs/dbraw/zinc/95/98/42/982959842.db2.gz GCRAUKZKRCYDJS-ZDUSSCGKSA-N -1 0 340.441 3.554 20 0 EHADRM C/C(=C/C(=O)N(C)C(C)(C)CC(=O)[O-])c1ccccc1C(F)(F)F ZINC001118751502 982961807 /nfs/dbraw/zinc/96/18/07/982961807.db2.gz FPEIDFIOGMQZMP-LUAWRHEFSA-N -1 0 343.345 3.820 20 0 EHADRM CCCNc1nnc(S[C@H](C(=O)[O-])c2ccccc2Cl)s1 ZINC001595936980 983081502 /nfs/dbraw/zinc/08/15/02/983081502.db2.gz STMXZIDSXVRNKS-JTQLQIEISA-N -1 0 343.861 3.931 20 0 EHADRM CCC[C@H](NC(=O)c1ccc(O[C@@H](C)c2ccccc2)cc1)C(=O)[O-] ZINC001596020189 983282831 /nfs/dbraw/zinc/28/28/31/983282831.db2.gz DTMTXSANWJCZLN-KSSFIOAISA-N -1 0 341.407 3.810 20 0 EHADRM CCCc1ccc([C@@H](NC(=O)c2ccc(C(=O)[O-])nc2)C(C)C)cc1 ZINC001596063149 983374558 /nfs/dbraw/zinc/37/45/58/983374558.db2.gz SERNSEZESWIXHK-SFHVURJKSA-N -1 0 340.423 3.859 20 0 EHADRM CCCc1nc(C)c(NC(=O)NC2(CC(=O)[O-])CCCCC2)s1 ZINC001596082873 983402794 /nfs/dbraw/zinc/40/27/94/983402794.db2.gz BLGHDNFIVLCHNO-UHFFFAOYSA-N -1 0 339.461 3.703 20 0 EHADRM CCCc1nnc(NCc2ccc(-c3ccccc3C(=O)[O-])o2)o1 ZINC001596095278 983417092 /nfs/dbraw/zinc/41/70/92/983417092.db2.gz IYALHCLXLBNBDH-UHFFFAOYSA-N -1 0 327.340 3.592 20 0 EHADRM CCCc1occc1C(=O)N1CCCc2c(C(=O)[O-])ccc(C)c21 ZINC001596102498 983427060 /nfs/dbraw/zinc/42/70/60/983427060.db2.gz BUVGVVASFBIBRL-UHFFFAOYSA-N -1 0 327.380 3.832 20 0 EHADRM CCCc1nsc(Oc2ccc(C(=O)[O-])cc2Br)n1 ZINC001596102853 983429038 /nfs/dbraw/zinc/42/90/38/983429038.db2.gz ZRHLSXYSRKTJCU-UHFFFAOYSA-N -1 0 343.202 3.744 20 0 EHADRM CCN(C(=O)[C@H]1C[C@@H]1c1cccc2ccccc21)C(C)(C)C(=O)[O-] ZINC001596138887 983489814 /nfs/dbraw/zinc/48/98/14/983489814.db2.gz XZKWIQBSTYFBKB-SJORKVTESA-N -1 0 325.408 3.655 20 0 EHADRM CCN(C(=O)c1cc(C2CC2)nc2ccc(F)cc21)C(C)(C)C(=O)[O-] ZINC001596164143 983526151 /nfs/dbraw/zinc/52/61/51/983526151.db2.gz DURKGWKQMYTBTA-UHFFFAOYSA-N -1 0 344.386 3.577 20 0 EHADRM CCN(C(=O)c1ccccc1CCC(=O)[O-])c1cc(C)cc(C)c1 ZINC001596170365 983535166 /nfs/dbraw/zinc/53/51/66/983535166.db2.gz CPRJSJODZOKRSE-UHFFFAOYSA-N -1 0 325.408 3.987 20 0 EHADRM CCN(CC(=O)Nc1ccc(C(=O)[O-])cc1)[C@@H](C)c1ccc(F)cc1 ZINC001596208348 983597412 /nfs/dbraw/zinc/59/74/12/983597412.db2.gz QWMPOAMNLSHZDT-ZDUSSCGKSA-N -1 0 344.386 3.546 20 0 EHADRM C=C/C(C)=C\CC(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC001588684235 983856965 /nfs/dbraw/zinc/85/69/65/983856965.db2.gz NRLIZXWUAXEFAV-UITAMQMPSA-N -1 0 338.201 3.917 20 0 EHADRM CCN(Cc1nc2cc(C(=O)[O-])ccc2[nH]1)[C@H](C)c1cccc(O)c1 ZINC001596378652 983897538 /nfs/dbraw/zinc/89/75/38/983897538.db2.gz YVPAVUJTGMTVNU-GFCCVEGCSA-N -1 0 339.395 3.550 20 0 EHADRM CCN(c1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccsc2)cc1)C(C)C ZINC001596382872 983905357 /nfs/dbraw/zinc/90/53/57/983905357.db2.gz GYETWNAYEFMWHF-MRXNPFEDSA-N -1 0 346.452 3.539 20 0 EHADRM CCN(c1ccc(C(=O)Nc2cnc(C)c(C(=O)[O-])c2)cc1)C(C)C ZINC001596382859 983905554 /nfs/dbraw/zinc/90/55/54/983905554.db2.gz GCAMIMZQZIIODY-UHFFFAOYSA-N -1 0 341.411 3.575 20 0 EHADRM C[C@H](CCC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1)c1ccccc1 ZINC000119260891 1015011535 /nfs/dbraw/zinc/01/15/35/1015011535.db2.gz AWGYYJMZDPTXNZ-CYBMUJFWSA-N -1 0 337.379 3.552 20 0 EHADRM CCNC(=O)Nc1cccc(N[C@@H](C(=O)[O-])c2ccc(F)cc2)c1C ZINC001596473558 984202486 /nfs/dbraw/zinc/20/24/86/984202486.db2.gz XPJGBGOUDSRFIO-MRXNPFEDSA-N -1 0 345.374 3.513 20 0 EHADRM C/C(=C/C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21)c1ccccc1C ZINC001588937483 984616510 /nfs/dbraw/zinc/61/65/10/984616510.db2.gz IZIFTMJJZZQYGZ-SMZITPNDSA-N -1 0 341.451 3.890 20 0 EHADRM C/C(=C/C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-])c1ccccc1Cl ZINC001588938356 984621444 /nfs/dbraw/zinc/62/14/44/984621444.db2.gz CLBALBSEEUOZBJ-WBVCDTRGSA-N -1 0 335.831 3.893 20 0 EHADRM C/C(=C\C(=O)NCc1ccc(C(=O)[O-])cc1F)c1ccccc1Cl ZINC001588943237 984639442 /nfs/dbraw/zinc/63/94/42/984639442.db2.gz XMVKAYBCCURCNW-DHZHZOJOSA-N -1 0 347.773 3.897 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)N1CCCCc2cc(C(=O)[O-])ccc21 ZINC001599892524 984712775 /nfs/dbraw/zinc/71/27/75/984712775.db2.gz PERAVDJACGRESI-OAHLLOKOSA-N -1 0 337.419 3.933 20 0 EHADRM C[C@H](NC(=O)Cn1cc(C(=O)[O-])c2ccccc21)C1CCCCCC1 ZINC001599893650 984726002 /nfs/dbraw/zinc/72/60/02/984726002.db2.gz WEANGRQMYDFKGB-AWEZNQCLSA-N -1 0 342.439 3.815 20 0 EHADRM C/C(=C\c1c(Cl)cccc1Cl)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC001588995631 984926424 /nfs/dbraw/zinc/92/64/24/984926424.db2.gz ODMCPKRVOOKIJW-PCYYEKQGSA-N -1 0 330.211 3.576 20 0 EHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)NCc1ccccc1C(=O)[O-] ZINC001588998964 984935677 /nfs/dbraw/zinc/93/56/77/984935677.db2.gz OTLBIONZGVGSEO-ZRDIBKRKSA-N -1 0 329.783 3.758 20 0 EHADRM C/C(=C/c1cccc(Cl)c1)C(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC001589003354 984952294 /nfs/dbraw/zinc/95/22/94/984952294.db2.gz YHQBOVDYCIBSCO-YFHOEESVSA-N -1 0 331.755 3.786 20 0 EHADRM C[C@H]1CC[C@H](C(=O)N[C@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])CC1 ZINC001599908792 984957796 /nfs/dbraw/zinc/95/77/96/984957796.db2.gz KWNVKKMGPGVCKW-PCODUJHASA-N -1 0 343.467 3.892 20 0 EHADRM CCOC(=O)c1cccc(SCc2ccccc2CC(=O)[O-])c1 ZINC001596730476 984995706 /nfs/dbraw/zinc/99/57/06/984995706.db2.gz KMAKVBYJKDEOBY-UHFFFAOYSA-N -1 0 330.405 3.783 20 0 EHADRM C[C@H]1CN(C(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)C[C@]1(C)C(=O)[O-] ZINC001599913785 985024293 /nfs/dbraw/zinc/02/42/93/985024293.db2.gz IVXRVZWTPIPWMS-DGJUNBOTSA-N -1 0 337.419 3.513 20 0 EHADRM C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)CC[C@H]1C(=O)[O-] ZINC001599914977 985042109 /nfs/dbraw/zinc/04/21/09/985042109.db2.gz YGSDLFKZHYHRAI-ARKSPBFVSA-N -1 0 337.419 3.513 20 0 EHADRM C[C@H]1CN(C(=O)CC2(CSc3ccccc3)CC2)CC[C@H]1C(=O)[O-] ZINC001599915881 985055379 /nfs/dbraw/zinc/05/53/79/985055379.db2.gz XBTVXLUUAXTUQA-GOEBONIOSA-N -1 0 347.480 3.518 20 0 EHADRM C[C@H]1CN(C(=O)N[C@H]2CCC[C@H](C(C)(C)C)CC2)CC[C@H]1C(=O)[O-] ZINC001599918928 985102402 /nfs/dbraw/zinc/10/24/02/985102402.db2.gz RAEDQWFKCFTSOM-YHUYYLMFSA-N -1 0 338.492 3.734 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)s2)C[C@]1(C)C(=O)[O-] ZINC001599924644 985183962 /nfs/dbraw/zinc/18/39/62/985183962.db2.gz TUZWJIJPCLYEKU-VOJFVSQTSA-N -1 0 347.411 3.737 20 0 EHADRM CCO[C@@H](c1noc(-c2ccc(/C=C\C(=O)[O-])o2)n1)C1CCCC1 ZINC001596790406 985265080 /nfs/dbraw/zinc/26/50/80/985265080.db2.gz MTEWMNAPGCOBON-WKTRQSJXSA-N -1 0 332.356 3.695 20 0 EHADRM CC(=O)NCc1ccc(N[C@H]2CCCc3ccc(C(=O)[O-])cc32)cc1 ZINC001589149594 985464173 /nfs/dbraw/zinc/46/41/73/985464173.db2.gz BMKAZDIOXDUSLJ-IBGZPJMESA-N -1 0 338.407 3.510 20 0 EHADRM Cc1[nH]c(C(=O)C[N@H+](Cc2ccccc2)C(C)(C)C)c(C)c1C(=O)[O-] ZINC001599945262 985515077 /nfs/dbraw/zinc/51/50/77/985515077.db2.gz SUHVOUCWKWQTMY-UHFFFAOYSA-N -1 0 342.439 3.813 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CCC1(F)F ZINC001594479561 985517604 /nfs/dbraw/zinc/51/76/04/985517604.db2.gz XSMRVYCPNQWTHR-MRVPVSSYSA-N -1 0 332.734 3.547 20 0 EHADRM Cc1[nH]c(C(=O)CN[C@@H](C)c2ccccc2Cl)c(C)c1C(=O)[O-] ZINC001599947594 985555012 /nfs/dbraw/zinc/55/50/12/985555012.db2.gz QFKDWHFJUUNSAP-JTQLQIEISA-N -1 0 334.803 3.517 20 0 EHADRM Cc1[nH]c(C(=O)NC2CCC3(CCCCC3)CC2)c(C)c1C(=O)[O-] ZINC001599952040 985624668 /nfs/dbraw/zinc/62/46/68/985624668.db2.gz FEIUETHITJPTRR-UHFFFAOYSA-N -1 0 332.444 3.953 20 0 EHADRM C[C@H]1CN(C(=O)c2ccccc2C(=O)[O-])CCc2ccc(Cl)cc21 ZINC001594494748 985630071 /nfs/dbraw/zinc/63/00/71/985630071.db2.gz WHBFGUMPFUEUHL-LBPRGKRZSA-N -1 0 343.810 3.840 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccsc2C(=O)[O-])CCc2ccc(Cl)cc21 ZINC001594496144 985640228 /nfs/dbraw/zinc/64/02/28/985640228.db2.gz JXVQFARUDXEDCV-SNVBAGLBSA-N -1 0 349.839 3.902 20 0 EHADRM Cc1[nH]c(C(=O)N[C@H](C)c2cccc3ccccc32)c(C)c1C(=O)[O-] ZINC001599952978 985640417 /nfs/dbraw/zinc/64/04/17/985640417.db2.gz DFQLTJOCKOOAIV-GFCCVEGCSA-N -1 0 336.391 3.974 20 0 EHADRM CC(=O)Nc1cccc(-c2cc(C(=O)[O-])n(C(=O)OC(C)(C)C)c2)c1 ZINC001589205134 985666871 /nfs/dbraw/zinc/66/68/71/985666871.db2.gz GBCXTAICQKVRHB-UHFFFAOYSA-N -1 0 344.367 3.595 20 0 EHADRM Cc1[nH]c(C(=O)Nc2cnc(-c3ccccc3)s2)c(C)c1C(=O)[O-] ZINC001599954957 985672064 /nfs/dbraw/zinc/67/20/64/985672064.db2.gz VJQDNPXPYYSHPR-UHFFFAOYSA-N -1 0 341.392 3.706 20 0 EHADRM C[C@H]1CN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC2(CCC2)O1 ZINC001594500308 985674887 /nfs/dbraw/zinc/67/48/87/985674887.db2.gz HWSNYQJKBZVCQN-HZMBPMFUSA-N -1 0 344.238 3.763 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCC1CC(C)(C)CC(C)(C)C1 ZINC001599955459 985681912 /nfs/dbraw/zinc/68/19/12/985681912.db2.gz NENOEZYXRGRAKX-UHFFFAOYSA-N -1 0 334.460 3.912 20 0 EHADRM CC(=O)Nc1cccc(CSCCOc2ccccc2C(=O)[O-])c1 ZINC001589210468 985694666 /nfs/dbraw/zinc/69/46/66/985694666.db2.gz OOQJOGQNBGQALN-UHFFFAOYSA-N -1 0 345.420 3.655 20 0 EHADRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-] ZINC001599966167 985910419 /nfs/dbraw/zinc/91/04/19/985910419.db2.gz IWLSIQMUUNFHQU-UGSOOPFHSA-N -1 0 348.830 3.893 20 0 EHADRM Cc1c(-c2nc(-c3cccc(C(=O)[O-])c3)no2)cnn1C1CCCC1 ZINC001599969597 985980241 /nfs/dbraw/zinc/98/02/41/985980241.db2.gz KWMKMYVTPSXUHB-UHFFFAOYSA-N -1 0 338.367 3.722 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c(F)c1 ZINC001589277040 985991109 /nfs/dbraw/zinc/99/11/09/985991109.db2.gz ACQRUPUULXOWNX-UHFFFAOYSA-N -1 0 343.354 3.643 20 0 EHADRM CC(=O)c1ccc(C(=O)O[C@H](CC2CCCCC2)C(=O)[O-])c(F)c1 ZINC001589279445 986003749 /nfs/dbraw/zinc/00/37/49/986003749.db2.gz QZBLFSIBTOBTMO-MRXNPFEDSA-N -1 0 336.359 3.609 20 0 EHADRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)[C@@H]1CC[C@@H](C)C1 ZINC001599971664 986017012 /nfs/dbraw/zinc/01/70/12/986017012.db2.gz ZYROBCZAOLSHJX-PSASIEDQSA-N -1 0 340.217 3.830 20 0 EHADRM CC(=O)c1ccc(N(C)CCOc2ccc(C=CC(=O)[O-])cc2)cc1 ZINC001589284337 986021106 /nfs/dbraw/zinc/02/11/06/986021106.db2.gz YIVDVBKDESGXPH-XGICHPGQSA-N -1 0 339.391 3.502 20 0 EHADRM C[C@@H]1CN(C(=O)c2cccc(C(F)(F)F)c2[O-])CC2(CCCC2)O1 ZINC000655161504 1015183281 /nfs/dbraw/zinc/18/32/81/1015183281.db2.gz YEFBVVXUEWGWPT-LLVKDONJSA-N -1 0 343.345 3.585 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N([C@H](C)C(=O)[O-])C1CCC1 ZINC001599975511 986083358 /nfs/dbraw/zinc/08/33/58/986083358.db2.gz AFPUTRDHYGRCNH-SNVBAGLBSA-N -1 0 335.400 3.817 20 0 EHADRM C[C@@H](NC(=O)N=c1[n-]ncs1)c1ccccc1Oc1ccccc1 ZINC000510114883 1015188560 /nfs/dbraw/zinc/18/85/60/1015188560.db2.gz BMZQUPFKRGDICF-GFCCVEGCSA-N -1 0 340.408 3.635 20 0 EHADRM Cc1c(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)ccn1C(C)C ZINC001599978722 986131743 /nfs/dbraw/zinc/13/17/43/986131743.db2.gz LHHITMLVQSCJCU-INIZCTEOSA-N -1 0 348.830 3.977 20 0 EHADRM CC(=O)c1sc(NC(=O)CCCCC(=O)[O-])nc1-c1ccccc1 ZINC001589323350 986144713 /nfs/dbraw/zinc/14/47/13/986144713.db2.gz AEUFUSIUOMWNJF-UHFFFAOYSA-N -1 0 346.408 3.596 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001599983434 986196293 /nfs/dbraw/zinc/19/62/93/986196293.db2.gz ACQBWZRIRZUOFG-UHFFFAOYSA-N -1 0 345.301 3.899 20 0 EHADRM CCOc1cc(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)ccc1C ZINC001597009449 986343771 /nfs/dbraw/zinc/34/37/71/986343771.db2.gz LPTJEOWCGOPDKQ-UHFFFAOYSA-N -1 0 335.306 3.622 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NC1CC(C(C)(C)C)C1 ZINC001597021906 986415291 /nfs/dbraw/zinc/41/52/91/986415291.db2.gz MNHSUQHROUHSPW-UHFFFAOYSA-N -1 0 334.416 3.730 20 0 EHADRM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1)C1CCC1 ZINC001589381142 986463532 /nfs/dbraw/zinc/46/35/32/986463532.db2.gz MQXYQZWZFRXDBM-YGRLFVJLSA-N -1 0 343.345 3.774 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC001597038245 986484229 /nfs/dbraw/zinc/48/42/29/986484229.db2.gz GVIRLTXMGAPQEY-UHFFFAOYSA-N -1 0 337.734 3.828 20 0 EHADRM C[C@H]1COc2ccccc2[C@@H]1OC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001594607807 986587042 /nfs/dbraw/zinc/58/70/42/986587042.db2.gz NUZDURMXPBNTHI-SCLBCKFNSA-N -1 0 332.396 3.725 20 0 EHADRM C[C@@H]1CSC[C@H]1NC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001594611380 986604848 /nfs/dbraw/zinc/60/48/48/986604848.db2.gz ZXNWQVPZOUIQFF-SJKOYZFVSA-N -1 0 341.432 3.533 20 0 EHADRM C[C@H]1Cc2cc(Cl)ccc2N1C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001594616912 986638547 /nfs/dbraw/zinc/63/85/47/986638547.db2.gz YRMLFCHCQZAUPB-VIFPVBQESA-N -1 0 333.746 3.769 20 0 EHADRM CCOc1ccc(CN(C(=O)c2ccc(C(=O)[O-])cc2)C(C)C)cc1 ZINC001597095263 986687432 /nfs/dbraw/zinc/68/74/32/986687432.db2.gz VXDBHIUEVWFVGT-UHFFFAOYSA-N -1 0 341.407 3.834 20 0 EHADRM CCOc1ccc(CCN(C)c2nc(Cl)c(C(=O)[O-])s2)cc1 ZINC001597095295 986689133 /nfs/dbraw/zinc/68/91/33/986689133.db2.gz XOJBDGYPIHAMDE-UHFFFAOYSA-N -1 0 340.832 3.572 20 0 EHADRM C[C@H]1N(C(=O)c2ccc(C(=O)[O-])c(F)c2)c2ccccc2C1(C)C ZINC001594626232 986693751 /nfs/dbraw/zinc/69/37/51/986693751.db2.gz MOETZAKWXBNZTO-LLVKDONJSA-N -1 0 327.355 3.850 20 0 EHADRM CC(C(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1)=C1CCC1 ZINC001589428036 986695930 /nfs/dbraw/zinc/69/59/30/986695930.db2.gz AAIPQGABMZIYBS-UHFFFAOYSA-N -1 0 342.164 3.725 20 0 EHADRM C[C@@H](C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccc(Cl)cc1 ZINC001589429123 986707201 /nfs/dbraw/zinc/70/72/01/986707201.db2.gz MCKLRPDZFNAWLP-LQAWEQHXSA-N -1 0 343.810 3.873 20 0 EHADRM CCOc1ccc(CN(C)C(=O)Nc2ccc(F)cc2C(=O)[O-])cc1 ZINC001597101070 986713639 /nfs/dbraw/zinc/71/36/39/986713639.db2.gz VJAVKZYDOZGWFN-UHFFFAOYSA-N -1 0 346.358 3.587 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(Br)c(Cl)c1 ZINC000263534942 1125496936 /nfs/dbraw/zinc/49/69/36/1125496936.db2.gz YQPDXJHDRZWJGG-GXSJLCMTSA-N -1 0 346.652 3.788 20 0 EHADRM CCOc1ccc(NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C[C@@H]2C)c(C(=O)[O-])c1F ZINC001597111579 986767721 /nfs/dbraw/zinc/76/77/21/986767721.db2.gz GJIOYKOFDKQDKT-FIQHERPVSA-N -1 0 335.375 3.543 20 0 EHADRM CCOc1ccc(NC(=O)[C@@H](C)c2cccs2)c(C(=O)[O-])c1F ZINC001597113444 986787170 /nfs/dbraw/zinc/78/71/70/986787170.db2.gz UERVIFZIYPSZLR-VIFPVBQESA-N -1 0 337.372 3.726 20 0 EHADRM CCOc1ccc(NC(=O)C[C@@H](CC)C(C)C)c(C(=O)[O-])c1F ZINC001597113717 986788640 /nfs/dbraw/zinc/78/86/40/986788640.db2.gz VXKWTDYFSHKKQT-LLVKDONJSA-N -1 0 325.380 3.933 20 0 EHADRM C[C@@H]1OCC[C@@H]1S[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001594648860 986857465 /nfs/dbraw/zinc/85/74/65/986857465.db2.gz ODANVJIJZKLUHU-TVYUQYBPSA-N -1 0 334.359 3.612 20 0 EHADRM C[C@@H]1OCC[C@H]1S[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001594648859 986857904 /nfs/dbraw/zinc/85/79/04/986857904.db2.gz ODANVJIJZKLUHU-BIMULSAOSA-N -1 0 334.359 3.612 20 0 EHADRM CCOc1ccc(S[C@@H](C(=O)[O-])c2cccc(C(=O)OC)c2)cc1 ZINC001597137173 986873961 /nfs/dbraw/zinc/87/39/61/986873961.db2.gz AZBYJLHIZAWZFE-MRXNPFEDSA-N -1 0 346.404 3.790 20 0 EHADRM CCOc1ccc(SCC(=O)OCc2ccccc2C(=O)[O-])cc1 ZINC001597139894 986882087 /nfs/dbraw/zinc/88/20/87/986882087.db2.gz JQDJPXBXLXYHEU-UHFFFAOYSA-N -1 0 346.404 3.619 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)C[C@@]1(C)CC1(Cl)Cl)c1ccccc1 ZINC001589459224 986907682 /nfs/dbraw/zinc/90/76/82/986907682.db2.gz XSAJXZUTDOSJLX-ZBINZKHDSA-N -1 0 344.238 3.539 20 0 EHADRM Cc1conc1[N-]S(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000153472669 1125497620 /nfs/dbraw/zinc/49/76/20/1125497620.db2.gz VSFQBQFQOQUGPF-UHFFFAOYSA-N -1 0 328.802 3.652 20 0 EHADRM CCOc1cccc(CCC(=O)NC2(C(=O)[O-])CCC(CC)CC2)c1 ZINC001597149190 986916545 /nfs/dbraw/zinc/91/65/45/986916545.db2.gz ASLUJKWRWWJITC-UHFFFAOYSA-N -1 0 347.455 3.558 20 0 EHADRM C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC001594665973 986963310 /nfs/dbraw/zinc/96/33/10/986963310.db2.gz PKLHOCZCTXSYOK-VIFPVBQESA-N -1 0 349.308 3.562 20 0 EHADRM C[C@H]1c2sccc2CCN1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001594673052 986989846 /nfs/dbraw/zinc/98/98/46/986989846.db2.gz CSYPQCGJYZYKDP-LBPRGKRZSA-N -1 0 344.436 3.917 20 0 EHADRM C/C=C/COc1cccc(CC(=O)O[C@H](C)c2cc(C(=O)[O-])co2)c1 ZINC001594689655 987077702 /nfs/dbraw/zinc/07/77/02/987077702.db2.gz UTEQAPXYKNRATH-ITDFMYJTSA-N -1 0 344.363 3.780 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)Cc2cccc3cccnc32)cc1 ZINC001589504035 987111783 /nfs/dbraw/zinc/11/17/83/987111783.db2.gz JTKVXERVUJHMRV-CYBMUJFWSA-N -1 0 334.375 3.604 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1 ZINC001589511991 987145323 /nfs/dbraw/zinc/14/53/23/987145323.db2.gz FOJJDYAYFMMDMJ-MKVSYHDVSA-N -1 0 330.428 3.965 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NCCc2cc(F)ccc2F)cc1 ZINC001589513125 987155379 /nfs/dbraw/zinc/15/53/79/987155379.db2.gz NYFLPEFVBJBTJL-NSHDSACASA-N -1 0 348.349 3.517 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NCCCc2ccsc2)cc1 ZINC001589513514 987159646 /nfs/dbraw/zinc/15/96/46/987159646.db2.gz VLYRQDPLKSKBDT-GFCCVEGCSA-N -1 0 332.425 3.691 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cccc3scnc32)cc1 ZINC001589521480 987167217 /nfs/dbraw/zinc/16/72/17/987167217.db2.gz PZGLIFOVWSCCEH-JTQLQIEISA-N -1 0 326.377 3.737 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cnc(CC3CC3)s2)cc1 ZINC001589522069 987173129 /nfs/dbraw/zinc/17/31/29/987173129.db2.gz ZCUSUERNNBBRGI-SNVBAGLBSA-N -1 0 330.409 3.536 20 0 EHADRM CCC(=O)c1cc(C(=O)Nc2cc(C)c(C(=O)[O-])s2)ccc1F ZINC001594717330 987193606 /nfs/dbraw/zinc/19/36/06/987193606.db2.gz BWALPGZIIACJPM-UHFFFAOYSA-N -1 0 335.356 3.739 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)Nc2cncc(C(F)F)c2)c1 ZINC001589531207 987200672 /nfs/dbraw/zinc/20/06/72/987200672.db2.gz BJALFFQZUQVNPI-VIFPVBQESA-N -1 0 335.310 3.851 20 0 EHADRM CCC(=O)c1ccc(OC(=O)CC2(CC(=O)[O-])CCCC2)c(F)c1 ZINC001594721238 987204304 /nfs/dbraw/zinc/20/43/04/987204304.db2.gz YBKNXKGNFUWSAY-UHFFFAOYSA-N -1 0 336.359 3.749 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)CSc2ccc(F)cc2)c1 ZINC001589532030 987209850 /nfs/dbraw/zinc/20/98/50/987209850.db2.gz AGDCZQISAROZBJ-LLVKDONJSA-N -1 0 333.384 3.745 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2ncoc2-c2ccccc2)c1 ZINC001589533002 987221035 /nfs/dbraw/zinc/22/10/35/987221035.db2.gz XVDOJTJGZHHVEZ-LBPRGKRZSA-N -1 0 336.347 3.782 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2ncoc2-c2ccccc2)c1 ZINC001589533001 987221150 /nfs/dbraw/zinc/22/11/50/987221150.db2.gz XVDOJTJGZHHVEZ-GFCCVEGCSA-N -1 0 336.347 3.782 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)N[C@@](C)(C2CC2)C(F)(F)F)c1 ZINC001589534155 987229047 /nfs/dbraw/zinc/22/90/47/987229047.db2.gz VBSVVZVNYGXZLD-PSLIRLAXSA-N -1 0 344.333 3.727 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)N[C@](C)(C2CC2)C(F)(F)F)c1 ZINC001589534153 987229482 /nfs/dbraw/zinc/22/94/82/987229482.db2.gz VBSVVZVNYGXZLD-BJOHPYRUSA-N -1 0 344.333 3.727 20 0 EHADRM CC[C@@H](C(=O)N[C@@](C)(CC(=O)[O-])c1ccncc1)C1CCC(C)CC1 ZINC001594728674 987236243 /nfs/dbraw/zinc/23/62/43/987236243.db2.gz IMPFMNOTAVRZTM-VQIVBJKUSA-N -1 0 346.471 3.740 20 0 EHADRM CC[C@@H](C(=O)N[C@@](C)(CC(=O)[O-])c1ccccn1)C1CCC(C)CC1 ZINC001594729487 987242945 /nfs/dbraw/zinc/24/29/45/987242945.db2.gz RZPKTULMDDWEFH-NWHAJJJESA-N -1 0 346.471 3.740 20 0 EHADRM C[C@@H](C(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F)C(C)(F)F ZINC001589540630 987246278 /nfs/dbraw/zinc/24/62/78/987246278.db2.gz NEVTYZHTOKBVFC-XVKPBYJWSA-N -1 0 340.244 3.823 20 0 EHADRM C[C@H](C(=O)OC1CCC(CC(=O)[O-])CC1)c1cn(C)c2ccccc12 ZINC001589543343 987259552 /nfs/dbraw/zinc/25/95/52/987259552.db2.gz NGFFSMJUZZTLEN-NFOMZHRRSA-N -1 0 343.423 3.859 20 0 EHADRM CC[C@@H](C(=O)Nc1cc(C(=O)[O-])c(C)cc1C)c1c(C)noc1C ZINC001594735981 987272817 /nfs/dbraw/zinc/27/28/17/987272817.db2.gz TVNVVFPYOUMTQZ-CYBMUJFWSA-N -1 0 330.384 3.739 20 0 EHADRM CC[C@H](C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O)c1ccccc1 ZINC001594735974 987273271 /nfs/dbraw/zinc/27/32/71/987273271.db2.gz SSUYHUHEXGLXRH-LBPRGKRZSA-N -1 0 333.771 3.876 20 0 EHADRM CCSCC[C@H](C)N(C)C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC001597259056 987276464 /nfs/dbraw/zinc/27/64/64/987276464.db2.gz DOWSNPFSRTUKEY-ZDUSSCGKSA-N -1 0 338.473 3.997 20 0 EHADRM CCSCc1ccccc1C(=O)N(C1CC1)C1(C(=O)[O-])CCC1 ZINC001597265482 987297296 /nfs/dbraw/zinc/29/72/96/987297296.db2.gz YYCIJTFEPXBXSL-UHFFFAOYSA-N -1 0 333.453 3.552 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)Cc2ccsc2C)s[n-]1 ZINC000471178150 1015295577 /nfs/dbraw/zinc/29/55/77/1015295577.db2.gz UJBUSEUUQBXEPF-UHFFFAOYSA-N -1 0 335.479 3.548 20 0 EHADRM CCSc1ccc(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)cn1 ZINC001597270743 987312276 /nfs/dbraw/zinc/31/22/76/987312276.db2.gz ATZDEKNJWTYFEF-NSHDSACASA-N -1 0 330.409 3.634 20 0 EHADRM CCSc1ccc(CC(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC001597273508 987329987 /nfs/dbraw/zinc/32/99/87/987329987.db2.gz YNOBNUCBOTUKOB-UHFFFAOYSA-N -1 0 333.384 3.817 20 0 EHADRM CC(C)(C(=O)NCC1(CC(=O)[O-])CCCC1)c1cccc(Cl)c1 ZINC001589570421 987338413 /nfs/dbraw/zinc/33/84/13/987338413.db2.gz IHKGLTHNOPIYKV-UHFFFAOYSA-N -1 0 337.847 3.769 20 0 EHADRM CCSc1ccccc1CCNC(=O)c1ccsc1C(=O)[O-] ZINC001597280022 987348624 /nfs/dbraw/zinc/34/86/24/987348624.db2.gz UUJFJDMNIXAKJF-UHFFFAOYSA-N -1 0 335.450 3.531 20 0 EHADRM CC[C@@H](NC(=O)Nc1cc(C)c(C(=O)[O-])cn1)c1ccc(F)cc1 ZINC001597286230 987367322 /nfs/dbraw/zinc/36/73/22/987367322.db2.gz REAYQXAMBUCTLV-CQSZACIVSA-N -1 0 331.347 3.500 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)N1CC[C@@H]1C1CCCC1)c1ccccc1 ZINC001589592811 987404096 /nfs/dbraw/zinc/40/40/96/987404096.db2.gz CLCXRODZHCCOJN-IAGOWNOFSA-N -1 0 344.455 3.813 20 0 EHADRM CCc1[nH]c(C(=O)N(C)c2ccccc2SC)c(C)c1C(=O)[O-] ZINC001597354432 987495156 /nfs/dbraw/zinc/49/51/56/987495156.db2.gz AZMZHLRHWYZURB-UHFFFAOYSA-N -1 0 332.425 3.582 20 0 EHADRM CCc1[nH]c(C(=O)N[C@@H](c2ccc(F)cc2)C(C)C)c(C)c1C(=O)[O-] ZINC001597363575 987531025 /nfs/dbraw/zinc/53/10/25/987531025.db2.gz LKOHQGDGZRCGCV-MRXNPFEDSA-N -1 0 346.402 3.850 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)C[C@]2(C)CC2(Cl)Cl)c1 ZINC001589650650 987598922 /nfs/dbraw/zinc/59/89/22/987598922.db2.gz MRNIZYHLPHGISN-OAHLLOKOSA-N -1 0 345.222 3.928 20 0 EHADRM CCc1c2ccccc2oc1C(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001597405771 987677288 /nfs/dbraw/zinc/67/72/88/987677288.db2.gz DVSHTPJWWQVWHG-UHFFFAOYSA-N -1 0 349.386 3.892 20 0 EHADRM CCc1cc(=O)oc2cc(OCc3cc(C(=O)[O-])cs3)ccc12 ZINC001597423848 987746023 /nfs/dbraw/zinc/74/60/23/987746023.db2.gz ICMJKLIHJILUAM-UHFFFAOYSA-N -1 0 330.361 3.694 20 0 EHADRM CCc1cc(C(=O)NC2(CCC(=O)[O-])CCCCC2)cc(Cl)n1 ZINC001597429805 987767976 /nfs/dbraw/zinc/76/79/76/987767976.db2.gz SQEUQJUNCGTNTR-UHFFFAOYSA-N -1 0 338.835 3.595 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)N(Cc2ccccn2)C(C)C)s1 ZINC001597442813 987806790 /nfs/dbraw/zinc/80/67/90/987806790.db2.gz FFQGJPRBQDKHLS-UHFFFAOYSA-N -1 0 347.440 3.846 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H](CC)c1c(C)noc1C ZINC001597457230 987871608 /nfs/dbraw/zinc/87/16/08/987871608.db2.gz SIYWXYZTJDBOEC-AWEZNQCLSA-N -1 0 345.399 3.825 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NC(C)(C)CC(F)(F)F ZINC001597457815 987877694 /nfs/dbraw/zinc/87/76/94/987877694.db2.gz XYWNRCSNQDHJJQ-UHFFFAOYSA-N -1 0 332.322 3.800 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCc1ncc(C(C)(C)C)o1 ZINC001597460270 987889511 /nfs/dbraw/zinc/88/95/11/987889511.db2.gz UWMIDJUVLCIRER-UHFFFAOYSA-N -1 0 345.399 3.554 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC001597465023 987901231 /nfs/dbraw/zinc/90/12/31/987901231.db2.gz OTPZNKKQCNEIRT-UHFFFAOYSA-N -1 0 349.390 3.898 20 0 EHADRM CS[C@@H](C)CCC(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC001599784870 987904406 /nfs/dbraw/zinc/90/44/06/987904406.db2.gz XWAMMAVWLQRELG-QMMMGPOBSA-N -1 0 335.347 3.874 20 0 EHADRM CSC1(CNC(=O)c2cc(C(=O)[O-])ccc2Cl)CCCCC1 ZINC001599785064 987907424 /nfs/dbraw/zinc/90/74/24/987907424.db2.gz VGAFOHYZTJVGDI-UHFFFAOYSA-N -1 0 341.860 3.834 20 0 EHADRM CC(C)(C)C1CC(NC(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)C1 ZINC001589726598 987910865 /nfs/dbraw/zinc/91/08/65/987910865.db2.gz MLZVALBJYXTOGR-UHFFFAOYSA-N -1 0 329.400 3.812 20 0 EHADRM CC(C)(C)C1CCC(=CC(=O)NCc2ccc(C(=O)[O-])nc2)CC1 ZINC001589727241 987922519 /nfs/dbraw/zinc/92/25/19/987922519.db2.gz ZPGLELYUADLUEU-UHFFFAOYSA-N -1 0 330.428 3.559 20 0 EHADRM CS[C@@H](CNC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1)C(C)(C)C ZINC001599786684 987934127 /nfs/dbraw/zinc/93/41/27/987934127.db2.gz DSRYTQWVRJVYCW-RISCZKNCSA-N -1 0 338.473 3.774 20 0 EHADRM CC(C)(C)[C@@H]1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CCO1 ZINC001589731360 987946661 /nfs/dbraw/zinc/94/66/61/987946661.db2.gz BRYQMWDJPNTWRN-GJZGRUSLSA-N -1 0 325.836 3.603 20 0 EHADRM CC(C)(C)[C@H]1CCN1C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001589732536 987962968 /nfs/dbraw/zinc/96/29/68/987962968.db2.gz SQOWMTJDOHPMIW-CABCVRRESA-N -1 0 332.444 3.669 20 0 EHADRM CC(C)(C)[C@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC001589732876 987970132 /nfs/dbraw/zinc/97/01/32/987970132.db2.gz RBNXVVVUSAEPES-JTQLQIEISA-N -1 0 340.370 3.953 20 0 EHADRM CC(C)(C)C1CN(C(=O)Nc2cccc(SCCC(=O)[O-])c2)C1 ZINC001589735841 987988193 /nfs/dbraw/zinc/98/81/93/987988193.db2.gz XSKBLBBQTMUWDR-UHFFFAOYSA-N -1 0 336.457 3.763 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)NCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC001589745655 988043120 /nfs/dbraw/zinc/04/31/20/988043120.db2.gz RWAAUORPYYZMRM-CQSZACIVSA-N -1 0 340.851 3.981 20 0 EHADRM CC(C)(C)C[C@H](Nc1nc(C(F)(F)F)nc2ccccc21)C(=O)[O-] ZINC001589757053 988069911 /nfs/dbraw/zinc/06/99/11/988069911.db2.gz KOQRBPFEULQFMY-NSHDSACASA-N -1 0 341.333 3.950 20 0 EHADRM CCc1ccc(C(=O)[O-])c(OC(=O)/C=C\SCc2ccco2)c1 ZINC001597506546 988075849 /nfs/dbraw/zinc/07/58/49/988075849.db2.gz FXHCQIABEWQVII-CLFYSBASSA-N -1 0 332.377 3.893 20 0 EHADRM CCc1ccc(C(=O)[O-])c(OC(=O)c2oc3c(c2C)C(=O)CCC3)c1 ZINC001597507180 988081836 /nfs/dbraw/zinc/08/18/36/988081836.db2.gz SZYJGEZLIHZBQR-UHFFFAOYSA-N -1 0 342.347 3.587 20 0 EHADRM CCc1ccc(C(C)(C)CNC(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC001597508203 988084902 /nfs/dbraw/zinc/08/49/02/988084902.db2.gz GXVHHNJFILRVJJ-UHFFFAOYSA-N -1 0 329.396 3.556 20 0 EHADRM CC(C)(C)C[C@@H](Sc1n[nH]c(-c2cc(F)cc(F)c2)n1)C(=O)[O-] ZINC001589761765 988091385 /nfs/dbraw/zinc/09/13/85/988091385.db2.gz KGMIVVULAQVMHO-LLVKDONJSA-N -1 0 341.383 3.731 20 0 EHADRM CSCC[C@H](C)N(C)C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001599795659 988093403 /nfs/dbraw/zinc/09/34/03/988093403.db2.gz SEPDFPPYCZNXHD-QMMMGPOBSA-N -1 0 348.827 3.783 20 0 EHADRM CC(C)(C)C[C@H]1CCN(C(=O)NC[C@H](CC(=O)[O-])C2CC2)C1(C)C ZINC001589764639 988105385 /nfs/dbraw/zinc/10/53/85/988105385.db2.gz QMFNDXNMLNDSOW-LSDHHAIUSA-N -1 0 338.492 3.734 20 0 EHADRM CSCC[C@@H](OC(=O)[C@@H](C)Sc1ccccc1Cl)C(=O)[O-] ZINC001599796987 988113776 /nfs/dbraw/zinc/11/37/76/988113776.db2.gz YBOIGMROGSTFLZ-MWLCHTKSSA-N -1 0 348.873 3.570 20 0 EHADRM CCc1ccc([C@@H]2C[C@H](C)CCN2Cc2ncc(C(=O)[O-])s2)o1 ZINC001597516253 988126203 /nfs/dbraw/zinc/12/62/03/988126203.db2.gz BVYQASHGUHIFBS-YPMHNXCESA-N -1 0 334.441 3.970 20 0 EHADRM CCc1ccc(CC)c(C(=O)COc2cnc(Cl)cc2C(=O)[O-])c1 ZINC001597521486 988155965 /nfs/dbraw/zinc/15/59/65/988155965.db2.gz OQDOEYNUTGOAQS-UHFFFAOYSA-N -1 0 347.798 3.820 20 0 EHADRM CSCCc1ccc(NC(=O)/C=C\c2cc(C(=O)[O-])co2)cc1 ZINC001599801416 988183360 /nfs/dbraw/zinc/18/33/60/988183360.db2.gz FXMCDJOEIPBDAO-SREVYHEPSA-N -1 0 331.393 3.535 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597531161 988190374 /nfs/dbraw/zinc/19/03/74/988190374.db2.gz ZMIIPVIOLLONGL-TXEJJXNPSA-N -1 0 338.835 3.792 20 0 EHADRM CCc1ccc(NC(=O)CCc2cccc(F)c2F)c(C(=O)[O-])c1 ZINC001597542434 988230590 /nfs/dbraw/zinc/23/05/90/988230590.db2.gz BNWKWUIUQSHJAH-UHFFFAOYSA-N -1 0 333.334 3.797 20 0 EHADRM CCc1ccc(NC(=O)N[C@@H](CC(=O)[O-])Cc2ccccc2)cc1C ZINC001597546545 988251325 /nfs/dbraw/zinc/25/13/25/988251325.db2.gz FXQUXKPLKJQWTF-GOSISDBHSA-N -1 0 340.423 3.765 20 0 EHADRM CSCc1cnc(CNc2ccc(Cl)c(C(=O)[O-])c2)s1 ZINC001599805801 988254025 /nfs/dbraw/zinc/25/40/25/988254025.db2.gz YHSLUPCIINHJBY-UHFFFAOYSA-N -1 0 328.846 3.970 20 0 EHADRM CCc1ccc(NC(=O)Nc2nc3c(s2)CC[C@@H](C(=O)[O-])C3)cc1 ZINC001597546975 988254484 /nfs/dbraw/zinc/25/44/84/988254484.db2.gz OXCSTZOFFNPTRF-LLVKDONJSA-N -1 0 345.424 3.539 20 0 EHADRM CCc1ccc(NC(=O)c2ccc(-n3nccc3C)cc2)c(C(=O)[O-])c1 ZINC001597550515 988268085 /nfs/dbraw/zinc/26/80/85/988268085.db2.gz GSXQUVSEVOJUMI-UHFFFAOYSA-N -1 0 349.390 3.694 20 0 EHADRM CCc1ccc(NC(=O)c2cnc3ccc(F)cc3c2)c(C(=O)[O-])c1 ZINC001597550681 988269418 /nfs/dbraw/zinc/26/94/18/988269418.db2.gz JUSQNXILBWTNAI-UHFFFAOYSA-N -1 0 338.338 3.887 20 0 EHADRM CSc1cc(NC(=O)c2c(C)coc2CC(=O)[O-])ccc1Cl ZINC001599809364 988307720 /nfs/dbraw/zinc/30/77/20/988307720.db2.gz FCQVVIPHDFOEOX-UHFFFAOYSA-N -1 0 339.800 3.843 20 0 EHADRM CCc1ccc2c(c1)CCN(C(=O)Nc1cc(C)cc(C(=O)[O-])c1)C2 ZINC001597568328 988322634 /nfs/dbraw/zinc/32/26/34/988322634.db2.gz BNNXLPVUDFJQHO-UHFFFAOYSA-N -1 0 338.407 3.846 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H]2CCC(C)(C)C2)cc1 ZINC001599810523 988325941 /nfs/dbraw/zinc/32/59/41/988325941.db2.gz AKIUAFUTTFONNG-DZGCQCFKSA-N -1 0 335.469 3.867 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccoc2Cl)cc1 ZINC001599811031 988335271 /nfs/dbraw/zinc/33/52/71/988335271.db2.gz LXSCSIDHDDIBGF-LBPRGKRZSA-N -1 0 339.800 3.601 20 0 EHADRM CCc1ccc2occ(C(=O)O[C@@H](C)c3nc(C(=O)[O-])co3)c2c1 ZINC001597570609 988347640 /nfs/dbraw/zinc/34/76/40/988347640.db2.gz RSIHIHYAJBXJLZ-VIFPVBQESA-N -1 0 329.308 3.599 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)[C@@H]1CSc2ccccc21 ZINC001597574102 988360222 /nfs/dbraw/zinc/36/02/22/988360222.db2.gz ZCYOPEZMQYDTDG-CQSZACIVSA-N -1 0 327.405 3.775 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cc(C)cc(OC)c1C ZINC001597574089 988360482 /nfs/dbraw/zinc/36/04/82/988360482.db2.gz YUDNUOYLXNNHID-UHFFFAOYSA-N -1 0 327.380 3.825 20 0 EHADRM CSc1ccc(CCC(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC001599812688 988364854 /nfs/dbraw/zinc/36/48/54/988364854.db2.gz LNDWBWXWVQBQQY-UHFFFAOYSA-N -1 0 329.421 3.986 20 0 EHADRM CCc1cccc(CC)c1Nc1nnc(S[C@H](C)C(=O)[O-])s1 ZINC001597585112 988393139 /nfs/dbraw/zinc/39/31/39/988393139.db2.gz KGUPOOXMPBCTAM-SECBINFHSA-N -1 0 337.470 3.972 20 0 EHADRM CSc1ccc(NC(=O)CCCC(=O)C(C)(C)C)cc1C(=O)[O-] ZINC001599815638 988417614 /nfs/dbraw/zinc/41/76/14/988417614.db2.gz QAICBZBKNPRIOH-UHFFFAOYSA-N -1 0 337.441 3.831 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cc(Cl)ncc1Cl ZINC001597593003 988423629 /nfs/dbraw/zinc/42/36/29/988423629.db2.gz KNZGDKJLVZNLEH-UHFFFAOYSA-N -1 0 339.178 3.901 20 0 EHADRM CSc1ccc(NC(=O)NC[C@@]23C[C@@H]2CCCC3)cc1C(=O)[O-] ZINC001599818407 988469402 /nfs/dbraw/zinc/46/94/02/988469402.db2.gz FUBVAZKXVUWEBX-APPDUMDISA-N -1 0 334.441 3.809 20 0 EHADRM CC(C)(C)OC(=O)CCCCC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001589873069 988515241 /nfs/dbraw/zinc/51/52/41/988515241.db2.gz ICNCLRCBZOJSMK-UHFFFAOYSA-N -1 0 349.427 3.544 20 0 EHADRM CSc1cccc(N(C)Cc2ccccc2O[C@H](C)C(=O)[O-])c1 ZINC001599821709 988525148 /nfs/dbraw/zinc/52/51/48/988525148.db2.gz FUQBERYVFZZBGH-CYBMUJFWSA-N -1 0 331.437 3.897 20 0 EHADRM CCc1ccccc1OCCC(=O)N(CC1CC1)[C@@](C)(CC)C(=O)[O-] ZINC001597616516 988539411 /nfs/dbraw/zinc/53/94/11/988539411.db2.gz MRTHJMGNKJADKZ-FQEVSTJZSA-N -1 0 347.455 3.510 20 0 EHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001597621070 988544151 /nfs/dbraw/zinc/54/41/51/988544151.db2.gz BPSNCAOHMCEFAO-QWHCGFSZSA-N -1 0 345.345 3.968 20 0 EHADRM CSc1ccccc1CN(C)C(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001599824067 988566652 /nfs/dbraw/zinc/56/66/52/988566652.db2.gz PPCAOYDKLOMGNW-UHFFFAOYSA-N -1 0 329.421 3.687 20 0 EHADRM CSc1cccc(NC(=O)CCc2ccccc2C(=O)[O-])c1C ZINC001599824939 988582150 /nfs/dbraw/zinc/58/21/50/988582150.db2.gz YNMFDBHRIKSVBQ-UHFFFAOYSA-N -1 0 329.421 3.986 20 0 EHADRM CCc1nc(C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])c(C)o1 ZINC001597651518 988691245 /nfs/dbraw/zinc/69/12/45/988691245.db2.gz QZPHTZLDMNYBRS-UHFFFAOYSA-N -1 0 336.413 3.855 20 0 EHADRM CCc1nc(C)c(C(=O)O[C@H]2CCCc3cc(C(=O)[O-])ccc32)s1 ZINC001597656601 988711522 /nfs/dbraw/zinc/71/15/22/988711522.db2.gz ANERSBHUVQHSEB-AWEZNQCLSA-N -1 0 345.420 3.947 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])[nH]1)c1cc(Cl)ccc1Cl ZINC001599840615 988821249 /nfs/dbraw/zinc/82/12/49/988821249.db2.gz WKRHDLRHFLUORP-SSDOTTSWSA-N -1 0 327.167 3.511 20 0 EHADRM CCc1nc(NC(=O)c2ccc(F)c(SC)c2)sc1C(=O)[O-] ZINC001597685250 988830988 /nfs/dbraw/zinc/83/09/88/988830988.db2.gz NDAHURJGJMCFRN-UHFFFAOYSA-N -1 0 340.401 3.517 20 0 EHADRM CCc1ncoc1C(=O)Nc1cc(-c2ccccc2)sc1C(=O)[O-] ZINC001597710887 988967956 /nfs/dbraw/zinc/96/79/56/988967956.db2.gz RGFWTDZSBQCQQB-UHFFFAOYSA-N -1 0 342.376 3.916 20 0 EHADRM CCc1nn(C)cc1N[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001597723851 989013061 /nfs/dbraw/zinc/01/30/61/989013061.db2.gz VMPHSDDZWGSODN-ZDUSSCGKSA-N -1 0 328.199 3.527 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CCCCC3)C[C@H]1CC(=O)[O-] ZINC001599859912 989150925 /nfs/dbraw/zinc/15/09/25/989150925.db2.gz XVUGQNGBXHNCFE-CZUORRHYSA-N -1 0 330.428 3.530 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN(C)c1ccccc1Br ZINC001597761844 989193569 /nfs/dbraw/zinc/19/35/69/989193569.db2.gz ZNWQMAJUANXQEC-UHFFFAOYSA-N -1 0 338.201 3.939 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)C12CC(c3ccccc3)(C1)C2 ZINC001597768085 989229791 /nfs/dbraw/zinc/22/97/91/989229791.db2.gz NQEFVOGVEABNDN-UHFFFAOYSA-N -1 0 340.375 3.705 20 0 EHADRM CCc1oc(CNc2ccc(N(C(C)=O)C3CC3)cc2)cc1C(=O)[O-] ZINC001597804871 989408664 /nfs/dbraw/zinc/40/86/64/989408664.db2.gz MVSFYJXSZXIRNQ-UHFFFAOYSA-N -1 0 342.395 3.668 20 0 EHADRM CCc1oc(CNc2cccc3c2OC(C)(C)C[C@H]3O)cc1C(=O)[O-] ZINC001597805029 989409815 /nfs/dbraw/zinc/40/98/15/989409815.db2.gz RKDGEAARZJWAHO-OAHLLOKOSA-N -1 0 345.395 3.747 20 0 EHADRM CCc1oc2ccccc2c1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC001597807514 989419317 /nfs/dbraw/zinc/41/93/17/989419317.db2.gz ACJXZUQDIGHUFJ-UHFFFAOYSA-N -1 0 344.392 3.721 20 0 EHADRM CCc1onc(-c2ccccc2Cl)c1C(=O)OC/C=C(\C)C(=O)[O-] ZINC001597810635 989426102 /nfs/dbraw/zinc/42/61/02/989426102.db2.gz ABQNVACRIHACDN-CSKARUKUSA-N -1 0 349.770 3.745 20 0 EHADRM CCc1sc(C(=O)NC[C@@](CC)(C(=O)[O-])c2ccccc2)cc1C ZINC001597818576 989455142 /nfs/dbraw/zinc/45/51/42/989455142.db2.gz WKNXSHMDKAZFQA-LJQANCHMSA-N -1 0 345.464 3.781 20 0 EHADRM CCn1c(C)cc(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)c1C ZINC001597842548 989544239 /nfs/dbraw/zinc/54/42/39/989544239.db2.gz ILHJAQKUFFCKQU-UHFFFAOYSA-N -1 0 337.379 3.624 20 0 EHADRM CC(C)(C)OC(=O)NCc1ccc(OCc2occc2C(=O)[O-])cc1 ZINC001590224338 989595869 /nfs/dbraw/zinc/59/58/69/989595869.db2.gz UFSDKHQVBPUMFA-UHFFFAOYSA-N -1 0 347.367 3.582 20 0 EHADRM CC(C)(C)OC(=O)n1cc(-c2cccc3c2COCC3)cc1C(=O)[O-] ZINC001590369465 989856163 /nfs/dbraw/zinc/85/61/63/989856163.db2.gz LFBDNQDMZIIJFY-UHFFFAOYSA-N -1 0 343.379 3.709 20 0 EHADRM CC(C)(C)OC1CC(CC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC001590374035 989864314 /nfs/dbraw/zinc/86/43/14/989864314.db2.gz BZGILAHKURJWPK-UHFFFAOYSA-N -1 0 341.354 3.585 20 0 EHADRM CC(C)(C)O[C@H]1C[C@@H](NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC001590397354 989926156 /nfs/dbraw/zinc/92/61/56/989926156.db2.gz KUJGKLOOWGBGCL-BETUJISGSA-N -1 0 340.807 3.506 20 0 EHADRM CC(C)(C)OCc1ccccc1NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001590398832 989932306 /nfs/dbraw/zinc/93/23/06/989932306.db2.gz QDPRHOFHROYHAK-HIFRSBDPSA-N -1 0 348.443 3.767 20 0 EHADRM CC(C)(C)Oc1ccc(-c2noc([C@H]3CCC[C@@H](C(=O)[O-])C3)n2)nc1 ZINC001590410375 989951963 /nfs/dbraw/zinc/95/19/63/989951963.db2.gz UTACEEHHJJQOLK-NWDGAFQWSA-N -1 0 345.399 3.667 20 0 EHADRM CC(C)(C)Oc1ccccc1NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001590420095 989963004 /nfs/dbraw/zinc/96/30/04/989963004.db2.gz MXFTVOLNBSFRKG-PKNBQFBNSA-N -1 0 329.352 3.807 20 0 EHADRM CC(C)(C)c1cccc2c1OCCN2Cc1nc(C(=O)[O-])cs1 ZINC001590498781 990110376 /nfs/dbraw/zinc/11/03/76/990110376.db2.gz IKMIRZGIFMRMGP-UHFFFAOYSA-N -1 0 332.425 3.538 20 0 EHADRM CC(C)(C)c1ccc(SCC(=O)N[C@](C)(CC(=O)[O-])C2CC2)cc1 ZINC001590500670 990114756 /nfs/dbraw/zinc/11/47/56/990114756.db2.gz IJVGVLXALOVVHK-LJQANCHMSA-N -1 0 349.496 3.836 20 0 EHADRM CN(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1c(Cl)cccc1Cl ZINC001598004166 990148561 /nfs/dbraw/zinc/14/85/61/990148561.db2.gz NSTYVQCJIKXANX-ZJUUUORDSA-N -1 0 330.211 3.847 20 0 EHADRM CC(C)(C)c1nc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])co1 ZINC001590537727 990156714 /nfs/dbraw/zinc/15/67/14/990156714.db2.gz OZFNUQGLHXHRKC-AWEZNQCLSA-N -1 0 344.411 3.554 20 0 EHADRM CN(C(=O)CC1(C)CC1)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598008312 990170901 /nfs/dbraw/zinc/17/09/01/990170901.db2.gz VDQKEQMFFPEKTP-CYBMUJFWSA-N -1 0 330.211 3.768 20 0 EHADRM CC(C)(C)c1ncc(C(=O)N2CCCc3c(C(=O)[O-])cccc32)s1 ZINC001590550930 990190957 /nfs/dbraw/zinc/19/09/57/990190957.db2.gz RNVYIKKOTPXZDZ-UHFFFAOYSA-N -1 0 344.436 3.732 20 0 EHADRM CN(C(=O)COc1ccccc1C(C)(C)C)C1(C(=O)[O-])CCCCC1 ZINC001598031494 990250542 /nfs/dbraw/zinc/25/05/42/990250542.db2.gz KRFYMUBLJRGHBT-UHFFFAOYSA-N -1 0 347.455 3.609 20 0 EHADRM CN(C(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C1(Cc2ccccc2)CCCC1 ZINC001598067898 990362160 /nfs/dbraw/zinc/36/21/60/990362160.db2.gz CWKKYNIPWCBETA-ZWKOTPCHSA-N -1 0 343.467 3.891 20 0 EHADRM CC(C)(CCCc1ccccc1)CNC(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001590664801 990364367 /nfs/dbraw/zinc/36/43/67/990364367.db2.gz OMGYLDVOVODQAI-QGZVFWFLSA-N -1 0 344.455 3.508 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])cn1)c1ccc2c(c1)oc1ccccc12 ZINC001598083105 990406671 /nfs/dbraw/zinc/40/66/71/990406671.db2.gz KNYBLEKCTRSCCT-UHFFFAOYSA-N -1 0 346.342 3.956 20 0 EHADRM CC(C)(CNC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1)C1CCCCC1 ZINC001590706067 990448928 /nfs/dbraw/zinc/44/89/28/990448928.db2.gz GJKJSFXGPOOJSB-UTKZUKDTSA-N -1 0 343.467 3.968 20 0 EHADRM CC(C)(CNC(=O)CCc1ccc(Cl)c(Cl)c1)CC(=O)[O-] ZINC001590708455 990460420 /nfs/dbraw/zinc/46/04/20/990460420.db2.gz IXCLTXNOSVKEPL-UHFFFAOYSA-N -1 0 332.227 3.543 20 0 EHADRM CC(C)(CNC(=O)Nc1nc(C2CCCCC2)cs1)CC(=O)[O-] ZINC001590739864 990538842 /nfs/dbraw/zinc/53/88/42/990538842.db2.gz UPYNGDAEGXJERL-UHFFFAOYSA-N -1 0 339.461 3.813 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC001590821938 990660629 /nfs/dbraw/zinc/66/06/29/990660629.db2.gz KTCRKTBBUGHQRH-KRWDZBQOSA-N -1 0 331.456 3.653 20 0 EHADRM CC1N=NC(C(=O)Nc2ccc(C(C)(C)C(F)(F)F)cc2)=C1[O-] ZINC000683259553 1015578363 /nfs/dbraw/zinc/57/83/63/1015578363.db2.gz ZQYSTLDZNWRECG-UHFFFAOYSA-N -1 0 327.306 3.516 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC001590822116 990663458 /nfs/dbraw/zinc/66/34/58/990663458.db2.gz VKKYUXIZCFFDAY-QGZVFWFLSA-N -1 0 331.456 3.795 20 0 EHADRM CC(C)=C(C)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1C ZINC001590913092 990894800 /nfs/dbraw/zinc/89/48/00/990894800.db2.gz XOIQFFGQQAZTFH-UHFFFAOYSA-N -1 0 326.190 3.751 20 0 EHADRM CC(C)[C@H](C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1)c1cccc(Cl)c1 ZINC001590952627 991015693 /nfs/dbraw/zinc/01/56/93/991015693.db2.gz IIRNNKHDHTVJMK-QITLCBANSA-N -1 0 337.847 3.649 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)NC(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001590967810 991086275 /nfs/dbraw/zinc/08/62/75/991086275.db2.gz ISRWNDMAZYJWCG-IBGZPJMESA-N -1 0 343.427 3.502 20 0 EHADRM CC(C)[C@@H](CC(=O)NCC1(CC(=O)[O-])CCCC1)c1ccccc1 ZINC001590976195 991122764 /nfs/dbraw/zinc/12/27/64/991122764.db2.gz LGZRCCUIWKZTLY-QGZVFWFLSA-N -1 0 331.456 3.968 20 0 EHADRM CC(C)[C@H](CC(=O)OCc1nc(C(=O)[O-])cs1)c1ccccc1 ZINC001590976276 991123765 /nfs/dbraw/zinc/12/37/65/991123765.db2.gz OLNWZUNSMIEFKR-ZDUSSCGKSA-N -1 0 333.409 3.714 20 0 EHADRM CC(C)[C@H](CCc1ccccc1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001590980395 991131061 /nfs/dbraw/zinc/13/10/61/991131061.db2.gz CEMVWFVXXILHTF-OALUTQOASA-N -1 0 345.483 3.995 20 0 EHADRM CC(C)[C@H](CCc1ccccc1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001590980389 991131243 /nfs/dbraw/zinc/13/12/43/991131243.db2.gz CEFQEDQNPXQQNU-IBGZPJMESA-N -1 0 339.435 3.906 20 0 EHADRM CC(C)[C@H](CCc1ccccc1)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC001590981591 991143107 /nfs/dbraw/zinc/14/31/07/991143107.db2.gz YDQAJHKAGKURHR-SFHVURJKSA-N -1 0 331.456 3.605 20 0 EHADRM CC(C)[C@H](CNC(=O)Cc1cccc(C(=O)[O-])c1)Cc1ccccc1 ZINC001590983326 991160567 /nfs/dbraw/zinc/16/05/67/991160567.db2.gz IOPNPPDZURIIQH-IBGZPJMESA-N -1 0 339.435 3.558 20 0 EHADRM COc1ccccc1[C@@H](CC(C)C)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001599699065 991191654 /nfs/dbraw/zinc/19/16/54/991191654.db2.gz UIMKJFBSLLDEHA-QGZVFWFLSA-N -1 0 341.407 3.911 20 0 EHADRM COc1ccccc1[C@@H]1CCCCN1C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001599704108 991266453 /nfs/dbraw/zinc/26/64/53/991266453.db2.gz NLSWMOYKPLZYMT-ZOBUZTSGSA-N -1 0 345.439 3.640 20 0 EHADRM COc1ccccc1CN(OC)[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001599711333 991374970 /nfs/dbraw/zinc/37/49/70/991374970.db2.gz SMFDBHLERXLQBZ-INIZCTEOSA-N -1 0 335.787 3.538 20 0 EHADRM COc1ccccc1CN(Cc1cc(C(=O)[O-])ccc1OC)C1CC1 ZINC001599711387 991376382 /nfs/dbraw/zinc/37/63/82/991376382.db2.gz WFDNDEVSXMWAGC-UHFFFAOYSA-N -1 0 341.407 3.567 20 0 EHADRM COc1ccccc1C[C@H](C)NC(=O)Nc1cc(C(=O)[O-])sc1C ZINC001599712139 991389532 /nfs/dbraw/zinc/38/95/32/991389532.db2.gz VIHAGSJMJSITES-JTQLQIEISA-N -1 0 348.424 3.516 20 0 EHADRM CC(C)[C@H]1C[C@@H](CC(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)CCO1 ZINC001591071692 991531254 /nfs/dbraw/zinc/53/12/54/991531254.db2.gz FZSZTRSOCBJTBI-WMLDXEAASA-N -1 0 348.439 3.796 20 0 EHADRM CC(C)[C@H]1C[C@@H](CC(=O)Oc2cc(Cl)ccc2C(=O)[O-])CCO1 ZINC001591072041 991532923 /nfs/dbraw/zinc/53/29/23/991532923.db2.gz JODAYBBUUDSNTF-SMDDNHRTSA-N -1 0 340.803 3.785 20 0 EHADRM CC(C)[C@@H]1C[C@H]1C(=O)Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1 ZINC001591080400 991582540 /nfs/dbraw/zinc/58/25/40/991582540.db2.gz QOWFWCUHDLCPDU-QWHCGFSZSA-N -1 0 330.409 3.739 20 0 EHADRM CC(C)[C@@H]1C[C@@H]1C(=O)Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1 ZINC001591080401 991582585 /nfs/dbraw/zinc/58/25/85/991582585.db2.gz QOWFWCUHDLCPDU-STQMWFEESA-N -1 0 330.409 3.739 20 0 EHADRM CC(C)[C@@H]1N(C(=O)c2ccoc2CC(=O)[O-])CC12CCCCCC2 ZINC001591100171 991720018 /nfs/dbraw/zinc/72/00/18/991720018.db2.gz UXJQJBUXUILBKN-KRWDZBQOSA-N -1 0 333.428 3.728 20 0 EHADRM CC(C)C[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001591130485 991822083 /nfs/dbraw/zinc/82/20/83/991822083.db2.gz IPHBVLCCFLOPDG-GXFFZTMASA-N -1 0 331.334 3.630 20 0 EHADRM CC(C)CC(CC(C)C)C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001591142455 991864493 /nfs/dbraw/zinc/86/44/93/991864493.db2.gz CJQLIZNOOVPYFS-UHFFFAOYSA-N -1 0 331.416 3.908 20 0 EHADRM CN(C[C@@H]1CC1(C)C)C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001598447868 991893361 /nfs/dbraw/zinc/89/33/61/991893361.db2.gz JQGUDBZZRSPMNF-LBPRGKRZSA-N -1 0 336.457 3.763 20 0 EHADRM CC(C)C[C@H](Sc1nnc(-c2c[nH]c3ccccc32)o1)C(=O)[O-] ZINC001591190867 991997186 /nfs/dbraw/zinc/99/71/86/991997186.db2.gz BSWDCHPLNNMPPI-ZDUSSCGKSA-N -1 0 331.397 3.809 20 0 EHADRM CC(C)C[C@@H]1OCCC[C@@H]1Nc1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001591211338 992055954 /nfs/dbraw/zinc/05/59/54/992055954.db2.gz BMGDUITVYSOTNQ-STQMWFEESA-N -1 0 346.349 3.804 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC001591261098 992171747 /nfs/dbraw/zinc/17/17/47/992171747.db2.gz VNSIBEVRLRIQIW-DLBZAZTESA-N -1 0 333.428 3.941 20 0 EHADRM CC(C)CCc1ccc(NC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)cc1 ZINC001591266503 992180377 /nfs/dbraw/zinc/18/03/77/992180377.db2.gz IQESHLHMHCRZJP-ALKREAHSSA-N -1 0 330.428 3.650 20 0 EHADRM CC(C)CN(C(=O)[C@H](C)CCCc1ccccc1)C(C)(C)C(=O)[O-] ZINC001591281714 992218880 /nfs/dbraw/zinc/21/88/80/992218880.db2.gz YSTQYCUAUDGRSA-MRXNPFEDSA-N -1 0 333.472 3.993 20 0 EHADRM CC(C)CN(C(=O)c1ccc(SC2CC2)cc1)C(C)(C)C(=O)[O-] ZINC001591284961 992221448 /nfs/dbraw/zinc/22/14/48/992221448.db2.gz IXUCJPXPWVNGEV-UHFFFAOYSA-N -1 0 335.469 3.903 20 0 EHADRM CC(C)CN(C(=O)c1coc(C2CCCCC2)n1)C(C)(C)C(=O)[O-] ZINC001591285561 992226041 /nfs/dbraw/zinc/22/60/41/992226041.db2.gz XRDGRDMWXDTOEG-UHFFFAOYSA-N -1 0 336.432 3.684 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)c1ccc(-c2cccc(F)c2)s1 ZINC001591298202 992248328 /nfs/dbraw/zinc/24/83/28/992248328.db2.gz UGNNAXYZGLEZNY-UHFFFAOYSA-N -1 0 335.400 3.737 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)/C=C\CCc1ccccc1 ZINC001591310227 992271795 /nfs/dbraw/zinc/27/17/95/992271795.db2.gz UEJYDPARVUNWJO-LCYFTJDESA-N -1 0 331.456 3.771 20 0 EHADRM C[S@@](=O)c1ccc(CNc2cccc3cc(C(=O)[O-])sc32)cc1 ZINC001599777937 992327826 /nfs/dbraw/zinc/32/78/26/992327826.db2.gz BBCNFKOABBBEPK-HSZRJFAPSA-N -1 0 345.445 3.949 20 0 EHADRM CC(C)CN(Cc1ccccc1F)C(=O)c1cccc(C(=O)[O-])c1 ZINC001591344308 992330351 /nfs/dbraw/zinc/33/03/51/992330351.db2.gz VZMVITZCLVGSPD-UHFFFAOYSA-N -1 0 329.371 3.822 20 0 EHADRM CS[C@H](C)CCC(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001599783377 992394941 /nfs/dbraw/zinc/39/49/41/992394941.db2.gz OVCXATZWJKSQQU-NOZJJQNGSA-N -1 0 349.374 3.636 20 0 EHADRM CN(CCOc1ccc(/C=C\C(=O)[O-])cc1)c1cccc2cccnc21 ZINC001598498872 992402662 /nfs/dbraw/zinc/40/26/62/992402662.db2.gz UFSBVRNIDTYJKW-XFXZXTDPSA-N -1 0 348.402 3.848 20 0 EHADRM CC(C)CSCCCOC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001591416378 992497666 /nfs/dbraw/zinc/49/76/66/992497666.db2.gz XKGNIKPOFQIRNC-UHFFFAOYSA-N -1 0 328.474 3.734 20 0 EHADRM CC(C)Cc1ccc(CCCC(=O)Nc2cccc(C(=O)[O-])n2)cc1 ZINC001591484135 992608307 /nfs/dbraw/zinc/60/83/07/992608307.db2.gz RSSSAKLLIZXRCM-UHFFFAOYSA-N -1 0 340.423 3.940 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cn1)Cc1cc(Cl)cc(Cl)c1F ZINC001598515098 992609119 /nfs/dbraw/zinc/60/91/19/992609119.db2.gz FBICJUGRAPYMMQ-UHFFFAOYSA-N -1 0 343.185 3.858 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])s1)c1ccccc1Br ZINC001598516468 992621802 /nfs/dbraw/zinc/62/18/02/992621802.db2.gz JNFYQWYNLHCFRD-UHFFFAOYSA-N -1 0 326.215 3.845 20 0 EHADRM CC(C)Cc1nc(C(=O)Nc2cccc(C(=O)[O-])c2Cl)cs1 ZINC001591491091 992628266 /nfs/dbraw/zinc/62/82/66/992628266.db2.gz YKRGVXULZDNITE-UHFFFAOYSA-N -1 0 338.816 3.946 20 0 EHADRM CN(Cc1ccc(Cl)c(F)c1)Cc1ccccc1OCC(=O)[O-] ZINC001598518195 992644314 /nfs/dbraw/zinc/64/43/14/992644314.db2.gz TZIGMAMXPROYOP-UHFFFAOYSA-N -1 0 337.778 3.575 20 0 EHADRM CC(C)N(C(=O)c1ccoc1CC(=O)[O-])c1cnc2ccccc2c1 ZINC001591542946 992723958 /nfs/dbraw/zinc/72/39/58/992723958.db2.gz SSSLBXOMFSHKQW-UHFFFAOYSA-N -1 0 338.363 3.510 20 0 EHADRM CC(C)N(Cc1c(Br)cccc1C(=O)[O-])CC(F)F ZINC001591595607 992820204 /nfs/dbraw/zinc/82/02/04/992820204.db2.gz WITFHNYXZUHDQZ-UHFFFAOYSA-N -1 0 336.176 3.623 20 0 EHADRM CN(Cc1csc(-c2ccccn2)n1)c1ccccc1C(=O)[O-] ZINC001598533956 992825697 /nfs/dbraw/zinc/82/56/97/992825697.db2.gz QLCGUCJTCNDBMC-UHFFFAOYSA-N -1 0 325.393 3.540 20 0 EHADRM COc1ccc(N(C#N)Cc2cc(C(=O)[O-])sc2C)cc1Cl ZINC001599582635 993572436 /nfs/dbraw/zinc/57/24/36/993572436.db2.gz DDSYAHQLNOFRDR-UHFFFAOYSA-N -1 0 336.800 3.904 20 0 EHADRM COc1ccc(NC(=O)/C=C(/C)c2ccccc2C)c(C(=O)[O-])c1 ZINC001599590099 993668408 /nfs/dbraw/zinc/66/84/08/993668408.db2.gz LRZANUFUQSBLLJ-RAXLEYEMSA-N -1 0 325.364 3.744 20 0 EHADRM COc1ccc(NC(=O)Cc2cccc(C)c2Cl)c(C(=O)[O-])c1 ZINC001599591848 993695332 /nfs/dbraw/zinc/69/53/32/993695332.db2.gz OVDYVYJTDVBFGH-UHFFFAOYSA-N -1 0 333.771 3.536 20 0 EHADRM COc1ccc(NC(=O)Cc2cccc(C(=O)[O-])c2)c2ccccc12 ZINC001599591951 993695584 /nfs/dbraw/zinc/69/55/84/993695584.db2.gz PDQQEYZCCPYRDU-UHFFFAOYSA-N -1 0 335.359 3.728 20 0 EHADRM COc1ccc(OC(=O)c2cc(C(=O)[O-])oc2C)cc1C(F)(F)F ZINC001599600959 993814346 /nfs/dbraw/zinc/81/43/46/993814346.db2.gz UHSQYAXIAZJOBI-UHFFFAOYSA-N -1 0 344.241 3.533 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])cc1F)c1cccc(C2CC2)c1 ZINC001593160508 993991333 /nfs/dbraw/zinc/99/13/33/993991333.db2.gz YHAKUHPSKCXAHL-NSHDSACASA-N -1 0 327.355 3.892 20 0 EHADRM C[C@H](NC(=O)c1ccc(F)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593161250 993991850 /nfs/dbraw/zinc/99/18/50/993991850.db2.gz AEHWMVVWUKSYPT-FZMZJTMJSA-N -1 0 349.789 3.541 20 0 EHADRM C[C@H](NC(=O)c1ccc2c(c1)CCC=C2)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593171837 994035742 /nfs/dbraw/zinc/03/57/42/994035742.db2.gz HZLREVLDVPGZCZ-YWZLYKJASA-N -1 0 349.430 3.708 20 0 EHADRM C[C@H](N[C@H](C(=O)[O-])c1ccsc1)c1ccc(NC(=O)C2CC2)cc1 ZINC001593194310 994133524 /nfs/dbraw/zinc/13/35/24/994133524.db2.gz DULCWERVZVAIPM-ZBEGNZNMSA-N -1 0 344.436 3.573 20 0 EHADRM COc1ccc2c(CC(=O)Nc3sccc3C(=O)[O-])coc2c1C ZINC001599624843 994133771 /nfs/dbraw/zinc/13/37/71/994133771.db2.gz ARFXCKBVRZIEQF-UHFFFAOYSA-N -1 0 345.376 3.691 20 0 EHADRM COc1ccc2c(c1)CC[C@H](C(=O)Nc1scc(C(=O)[O-])c1C)C2 ZINC001599625415 994141000 /nfs/dbraw/zinc/14/10/00/994141000.db2.gz CKLTURNOFCJVSG-ZDUSSCGKSA-N -1 0 345.420 3.507 20 0 EHADRM COc1ccc2c(c1)[C@@H](C(=O)Nc1ccc(F)cc1C(=O)[O-])CCC2 ZINC001599625697 994145326 /nfs/dbraw/zinc/14/53/26/994145326.db2.gz QXXJLHCPTJUONL-AWEZNQCLSA-N -1 0 343.354 3.591 20 0 EHADRM COc1ccc2c(c1)[C@@H](c1nc(-c3ccc(C(=O)[O-])cc3)no1)CC2 ZINC001599626065 994151033 /nfs/dbraw/zinc/15/10/33/994151033.db2.gz YEANJOXGZDBGRG-HNNXBMFYSA-N -1 0 336.347 3.522 20 0 EHADRM COc1ccc2c(c1)N(C(=O)Nc1cccc(C(=O)[O-])c1)CCCC2 ZINC001599630388 994208128 /nfs/dbraw/zinc/20/81/28/994208128.db2.gz VDLPWZYAHXQVEJ-UHFFFAOYSA-N -1 0 340.379 3.768 20 0 EHADRM C[C@@H](N[C@@H](C)c1cc(C(=O)[O-])co1)c1nccn1-c1ccccc1 ZINC001593204885 994208870 /nfs/dbraw/zinc/20/88/70/994208870.db2.gz WSZQDJHFYBENDN-QWHCGFSZSA-N -1 0 325.368 3.575 20 0 EHADRM COc1ccc2ccc(C(=O)N3C[C@H](C(=O)[O-])c4ccccc43)cc2c1 ZINC001599635662 994284350 /nfs/dbraw/zinc/28/43/50/994284350.db2.gz CHMQYHFFRGWTSD-SFHVURJKSA-N -1 0 347.370 3.677 20 0 EHADRM COc1ccc2occ(C(=O)O[C@H](C(=O)[O-])c3ccc(F)cc3)c2c1 ZINC001599637265 994307000 /nfs/dbraw/zinc/30/70/00/994307000.db2.gz DPJBPROVDOCWHA-INIZCTEOSA-N -1 0 344.294 3.563 20 0 EHADRM COc1cccc(-n2ccnc2SCc2cc(C(=O)[O-])cs2)c1 ZINC001599641498 994366026 /nfs/dbraw/zinc/36/60/26/994366026.db2.gz XQXCUPRAOOXBIY-UHFFFAOYSA-N -1 0 346.433 3.933 20 0 EHADRM COc1cccc(C(=O)[O-])c1CSc1ncnc2sccc21 ZINC001599644864 994411007 /nfs/dbraw/zinc/41/10/07/994411007.db2.gz LVIVKHBGJCOVBS-UHFFFAOYSA-N -1 0 332.406 3.690 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC001599644961 994412486 /nfs/dbraw/zinc/41/24/86/994412486.db2.gz FVTJSVREKHASRF-QWHCGFSZSA-N -1 0 345.420 3.530 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)C[C@@H]1CCCCC1(C)C ZINC001599645287 994416723 /nfs/dbraw/zinc/41/67/23/994416723.db2.gz JUNBNTSOMDJVRZ-ZDUSSCGKSA-N -1 0 333.428 3.963 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)C[C@H](C)c1cccc(F)c1 ZINC001599646344 994429721 /nfs/dbraw/zinc/42/97/21/994429721.db2.gz SEOZRZWGIPEODG-LBPRGKRZSA-N -1 0 345.370 3.689 20 0 EHADRM COc1cccc([C@H](C)C(=O)Nc2ccc(C)c(C)c2C(=O)[O-])c1 ZINC001599654600 994558526 /nfs/dbraw/zinc/55/85/26/994558526.db2.gz UAGYIHDDNFRRGX-ZDUSSCGKSA-N -1 0 327.380 3.752 20 0 EHADRM COc1cccc([C@H](Sc2nncc3ccccc32)C(=O)[O-])c1 ZINC001599660960 994655724 /nfs/dbraw/zinc/65/57/24/994655724.db2.gz KAGSUXCMOYCMRQ-HNNXBMFYSA-N -1 0 326.377 3.556 20 0 EHADRM COc1cccc(C[C@@H](C)CC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001599664149 994702211 /nfs/dbraw/zinc/70/22/11/994702211.db2.gz AYBKSCMPFFFOPN-CYBMUJFWSA-N -1 0 341.407 3.909 20 0 EHADRM COc1cccc(CC(=O)[O-])c1OCc1ccc(C(C)C)nc1C ZINC001599664582 994708794 /nfs/dbraw/zinc/70/87/94/994708794.db2.gz JUBJPQOGJRAQEU-UHFFFAOYSA-N -1 0 329.396 3.728 20 0 EHADRM COc1cccc(CC(=O)Nc2c(C)csc2C(=O)[O-])c1Cl ZINC001599665405 994722027 /nfs/dbraw/zinc/72/20/27/994722027.db2.gz QNMOGTAFEMOCKR-UHFFFAOYSA-N -1 0 339.800 3.598 20 0 EHADRM C[C@@H](NCc1cccc(C(=O)[O-])c1Cl)c1c(F)cncc1F ZINC001593304807 994754326 /nfs/dbraw/zinc/75/43/26/994754326.db2.gz SUNANODVHKTAAP-MRVPVSSYSA-N -1 0 326.730 3.562 20 0 EHADRM C[C@@H](NCc1cnc(C(=O)[O-])cn1)c1ccccc1Oc1ccccc1 ZINC001593311715 994787533 /nfs/dbraw/zinc/78/75/33/994787533.db2.gz SXTYXKMVKKNNET-CQSZACIVSA-N -1 0 349.390 3.818 20 0 EHADRM CO/C(=C/c1ccccc1)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC001598684330 994984133 /nfs/dbraw/zinc/98/41/33/994984133.db2.gz JFNAXWSATGSWIC-LVLBFHFTSA-N -1 0 325.364 3.501 20 0 EHADRM COc1cccc(OCCSCc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001599681893 994996106 /nfs/dbraw/zinc/99/61/06/994996106.db2.gz KAHUJHNFGVETHA-UHFFFAOYSA-N -1 0 336.384 3.845 20 0 EHADRM COc1cccc(S[C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC001599683206 995016187 /nfs/dbraw/zinc/01/61/87/995016187.db2.gz IQFZJCPIPNCZJY-LBPRGKRZSA-N -1 0 345.420 3.821 20 0 EHADRM C[C@@H](Nc1ccc(F)cc1OC(F)F)c1cncc(C(=O)[O-])c1 ZINC001593362223 995030954 /nfs/dbraw/zinc/03/09/54/995030954.db2.gz DSZRUQVPQFLZIQ-MRVPVSSYSA-N -1 0 326.274 3.693 20 0 EHADRM COC(=O)[C@H](C)Cc1ccc(N[C@H](C)CC(C)(C)CC(=O)[O-])cc1 ZINC001598689152 995036878 /nfs/dbraw/zinc/03/68/78/995036878.db2.gz VDJMGNNJBWJZBT-ZIAGYGMSSA-N -1 0 335.444 3.730 20 0 EHADRM C[C@@H](Nc1ccc2oc(N(C)C)nc2c1)c1cc(C(=O)[O-])cs1 ZINC001593365824 995044491 /nfs/dbraw/zinc/04/44/91/995044491.db2.gz KXGJBDHOMOKIEA-SECBINFHSA-N -1 0 331.397 3.827 20 0 EHADRM CC(C)c1cccc(OCC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000327044237 1015930945 /nfs/dbraw/zinc/93/09/45/1015930945.db2.gz LIESBIUEYRLHAK-MRXNPFEDSA-N -1 0 347.455 3.538 20 0 EHADRM COC(=O)[C@H](N[C@@H](C)c1cc(C)ccc1C)c1cccc(C(=O)[O-])c1 ZINC001598706118 995289452 /nfs/dbraw/zinc/28/94/52/995289452.db2.gz NVAMZMIUNWBFKV-KBXCAEBGSA-N -1 0 341.407 3.567 20 0 EHADRM COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)N(C)C[C@@H](C)C1CCCCC1 ZINC001598711284 995351511 /nfs/dbraw/zinc/35/15/11/995351511.db2.gz DHMSLVNDNPBDME-RDTXWAMCSA-N -1 0 347.455 3.747 20 0 EHADRM C[C@@H](OC(=O)C1(c2cccc(F)c2)CCC1)c1cc(C(=O)[O-])co1 ZINC001593496250 995474306 /nfs/dbraw/zinc/47/43/06/995474306.db2.gz JAMGJDXAGNMXPA-LLVKDONJSA-N -1 0 332.327 3.843 20 0 EHADRM C[C@@H](OC(=O)/C=C/c1ccc2[nH]ccc2c1)c1cc(C(=O)[O-])co1 ZINC001593514943 995535491 /nfs/dbraw/zinc/53/54/91/995535491.db2.gz LWXRUKISGRUCBS-JOAKQRRISA-N -1 0 325.320 3.777 20 0 EHADRM C[C@H](OC(=O)c1c(F)ccc(F)c1Cl)c1cc(C(=O)[O-])co1 ZINC001593552866 995632568 /nfs/dbraw/zinc/63/25/68/995632568.db2.gz HOTLILIAVYWVTN-LURJTMIESA-N -1 0 330.670 3.827 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)c1F ZINC000180502417 1015963689 /nfs/dbraw/zinc/96/36/89/1015963689.db2.gz YQOXHWAJUQKREG-UHFFFAOYSA-N -1 0 347.415 3.866 20 0 EHADRM C[C@H](OC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(F)c(C(F)(F)F)c1 ZINC001593567575 995665252 /nfs/dbraw/zinc/66/52/52/995665252.db2.gz XUWSLKWILATOPZ-UJNFCWOMSA-N -1 0 334.265 3.560 20 0 EHADRM C[C@@H](OC(=O)c1ccc(F)c2cccnc12)c1cc(C(=O)[O-])co1 ZINC001593578664 995688039 /nfs/dbraw/zinc/68/80/39/995688039.db2.gz HDUPYGNDULZJPV-SECBINFHSA-N -1 0 329.283 3.583 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)C2(C)CCCCCC2)cc1F)C(=O)[O-] ZINC001593624522 995888027 /nfs/dbraw/zinc/88/80/27/995888027.db2.gz PFYWCLMJMQIISY-LBPRGKRZSA-N -1 0 337.391 3.977 20 0 EHADRM C[C@@H](Oc1ccc(NC(=O)c2cccc(Cl)c2)cc1F)C(=O)[O-] ZINC001593633505 995923447 /nfs/dbraw/zinc/92/34/47/995923447.db2.gz GYNAYWJENNHJAZ-SECBINFHSA-N -1 0 337.734 3.583 20 0 EHADRM C[C@H](Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1)c1nc2ccccc2o1 ZINC001593633551 995923930 /nfs/dbraw/zinc/92/39/30/995923930.db2.gz ICBSRYKWJCFARO-QWRGUYRKSA-N -1 0 344.342 3.992 20 0 EHADRM C[C@H](Oc1ccccc1)c1noc(C23CCC(C(=O)[O-])(CC2)CC3)n1 ZINC001593641665 995953919 /nfs/dbraw/zinc/95/39/19/995953919.db2.gz XUOCUVLGOVGFPQ-MDAWKPQNSA-N -1 0 342.395 3.886 20 0 EHADRM C[C@H](Oc1ccccc1CN1CCc2cc(Cl)ccc2C1)C(=O)[O-] ZINC001593646565 995986397 /nfs/dbraw/zinc/98/63/97/995986397.db2.gz RXFLUHIZEOKWLB-ZDUSSCGKSA-N -1 0 345.826 3.750 20 0 EHADRM C[C@H](SCc1ccc(C(=O)[O-])c(Cl)c1)C(=O)NC1CCCC1 ZINC001593661639 996038832 /nfs/dbraw/zinc/03/88/32/996038832.db2.gz JTFVOOHMUWLSMF-JTQLQIEISA-N -1 0 341.860 3.719 20 0 EHADRM C[C@@H](SCc1ccc(C(=O)[O-])c2cccnc12)C(=O)OC(C)(C)C ZINC001593661635 996038913 /nfs/dbraw/zinc/03/89/13/996038913.db2.gz JRLSHEMLNRZMFU-LLVKDONJSA-N -1 0 347.436 3.896 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001593662825 996042863 /nfs/dbraw/zinc/04/28/63/996042863.db2.gz GISNIYKFNUVARQ-GFCCVEGCSA-N -1 0 347.411 3.713 20 0 EHADRM C[C@@H](SCc1csc(C(=O)[O-])c1)C(=O)Nc1cccc(F)c1 ZINC001593663334 996044905 /nfs/dbraw/zinc/04/49/05/996044905.db2.gz LOKCWZHLOLDTAP-SECBINFHSA-N -1 0 339.413 3.846 20 0 EHADRM C[C@H](Sc1ccc(C(=O)[O-])cc1)C(=O)Nc1cccnc1Cl ZINC001593663857 996047002 /nfs/dbraw/zinc/04/70/02/996047002.db2.gz ADAJOUIYAJQEQX-VIFPVBQESA-N -1 0 336.800 3.553 20 0 EHADRM C[C@@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001593667204 996056651 /nfs/dbraw/zinc/05/66/51/996056651.db2.gz LJAAOYUYYJIDEV-GFCCVEGCSA-N -1 0 347.411 3.962 20 0 EHADRM C[C@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001593667206 996056716 /nfs/dbraw/zinc/05/67/16/996056716.db2.gz LJAAOYUYYJIDEV-LBPRGKRZSA-N -1 0 347.411 3.962 20 0 EHADRM C[C@@H](Sc1nccc(C(=O)[O-])n1)c1ccc(OC(F)(F)F)cc1 ZINC001593678433 996092240 /nfs/dbraw/zinc/09/22/40/996092240.db2.gz NSIGYTGTPURBLE-MRVPVSSYSA-N -1 0 344.314 3.927 20 0 EHADRM C[C@H](Sc1nncn1-c1ccccc1F)c1ccc(C(=O)[O-])o1 ZINC001593685426 996114975 /nfs/dbraw/zinc/11/49/75/996114975.db2.gz VHMQXXADDSTTRV-VIFPVBQESA-N -1 0 333.344 3.551 20 0 EHADRM C[C@H](c1cc(F)ccc1F)N(C)Cc1cc(C(=O)[O-])c2n1CCCC2 ZINC001593686900 996125275 /nfs/dbraw/zinc/12/52/75/996125275.db2.gz NSJUILTZXZIVQB-GFCCVEGCSA-N -1 0 348.393 3.994 20 0 EHADRM C[C@H](c1ccc(Cl)cc1Cl)N(C)Cc1cc(C(=O)[O-])no1 ZINC001593694218 996148608 /nfs/dbraw/zinc/14/86/08/996148608.db2.gz UVIGENNPQQDURD-MRVPVSSYSA-N -1 0 329.183 3.873 20 0 EHADRM O=C([N-]S(=O)(=O)CCCF)c1sccc1-c1ccc(F)cc1 ZINC000080311487 1016017538 /nfs/dbraw/zinc/01/75/38/1016017538.db2.gz COKVIUKYZKMZSJ-UHFFFAOYSA-N -1 0 345.392 3.548 20 0 EHADRM C[C@H](c1ncc(C(=O)[O-])s1)N1C[C@H]2CCCCN2c2ccccc21 ZINC001593731957 996306113 /nfs/dbraw/zinc/30/61/13/996306113.db2.gz LDFZGLBULGHRCJ-CHWSQXEVSA-N -1 0 343.452 3.781 20 0 EHADRM C[C@H](c1nnc(-c2ccccc2)o1)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001593737217 996333415 /nfs/dbraw/zinc/33/34/15/996333415.db2.gz FHPTZXNPLQXMPQ-CYBMUJFWSA-N -1 0 349.390 3.554 20 0 EHADRM C[C@]1(C(=O)N2C[C@@H](C(=O)[O-])Cc3ccccc32)CCCc2ccccc21 ZINC001593745663 996375744 /nfs/dbraw/zinc/37/57/44/996375744.db2.gz WUGYMWMJHCCIAP-JTSKRJEESA-N -1 0 349.430 3.571 20 0 EHADRM C[C@]1(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)CCc2ccccc21 ZINC001593758701 996413588 /nfs/dbraw/zinc/41/35/88/996413588.db2.gz SKJCBFNSVLSIKI-FQEVSTJZSA-N -1 0 334.375 3.709 20 0 EHADRM COC(=O)C[C@H](C)S[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001598838938 996508816 /nfs/dbraw/zinc/50/88/16/996508816.db2.gz OAZFTEUYHZSLRJ-QPUJVOFHSA-N -1 0 336.331 3.516 20 0 EHADRM CC(C)(C)c1ccc(CCCCC(=O)N2CC(C)(C(=O)[O-])C2)cc1 ZINC001593802377 996527585 /nfs/dbraw/zinc/52/75/85/996527585.db2.gz VIQLNSAPQYIJJS-UHFFFAOYSA-N -1 0 331.456 3.630 20 0 EHADRM CC1(C)[C@H](c2ccccc2Cl)CCN1C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001593841916 996601027 /nfs/dbraw/zinc/60/10/27/996601027.db2.gz JSDUDAPOPDHWQH-SCRDCRAPSA-N -1 0 335.831 3.545 20 0 EHADRM CC1(C)C[C@H](C(=O)Nc2c(C(=O)[O-])ccc3ccccc32)CCO1 ZINC001593848468 996620250 /nfs/dbraw/zinc/62/02/50/996620250.db2.gz SDUDSLUOYFNDER-CYBMUJFWSA-N -1 0 327.380 3.682 20 0 EHADRM CC1(C)C[C@@H](OC(=O)/C=C/c2ccc(C(=O)[O-])o2)c2ccccc2O1 ZINC001593862194 996659775 /nfs/dbraw/zinc/65/97/75/996659775.db2.gz WSCKJDLGYSFEHM-XAVKZTDYSA-N -1 0 342.347 3.837 20 0 EHADRM CC1(C)CCC(CC(=O)N2CCc3cccc(C(=O)[O-])c3C2)CC1 ZINC001593874235 996688602 /nfs/dbraw/zinc/68/86/02/996688602.db2.gz PFFSXCADHYJZEG-UHFFFAOYSA-N -1 0 329.440 3.876 20 0 EHADRM CC1(C)CCC[C@@H]1[C@H]1CCN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)C1 ZINC001593899092 996762987 /nfs/dbraw/zinc/76/29/87/996762987.db2.gz ZZFUJRXYIMZARS-LSDHHAIUSA-N -1 0 333.472 3.696 20 0 EHADRM CC1(C)CCCN(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CC1 ZINC001593903472 996774186 /nfs/dbraw/zinc/77/41/86/996774186.db2.gz BIXOMLMZUVDQTH-JKSUJKDBSA-N -1 0 330.428 3.919 20 0 EHADRM CC1(C)CCCC[C@H]1CC(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001593905047 996785029 /nfs/dbraw/zinc/78/50/29/996785029.db2.gz NCYGKGDKUPRQRA-KRWDZBQOSA-N -1 0 329.440 3.876 20 0 EHADRM COc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1Cl ZINC001599481959 996786573 /nfs/dbraw/zinc/78/65/73/996786573.db2.gz NCBOIZSFHRSMRZ-MRXNPFEDSA-N -1 0 347.798 3.521 20 0 EHADRM CC1(C)CCCc2sc(NC(=O)C3(C(=O)[O-])CC4(CCC4)C3)nc21 ZINC001593910696 996796771 /nfs/dbraw/zinc/79/67/71/996796771.db2.gz IWIKXMFGHYKQBX-UHFFFAOYSA-N -1 0 348.468 3.731 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)CC[C@@H](C)c1ccccc1 ZINC001599379205 996804340 /nfs/dbraw/zinc/80/43/40/996804340.db2.gz ZJRQRVGGKXSTHM-CYBMUJFWSA-N -1 0 328.364 3.883 20 0 EHADRM COc1ccc(C(=O)Nc2cc(F)cc(Cl)c2C(=O)[O-])c(F)c1 ZINC001599485705 996845859 /nfs/dbraw/zinc/84/58/59/996845859.db2.gz IFVNRZIJRAYDFL-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM CC1(C)CN(C(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c2ccccc21 ZINC001593926647 996858678 /nfs/dbraw/zinc/85/86/78/996858678.db2.gz FSWQKWVVFJQIFQ-IERDGZPVSA-N -1 0 335.403 3.569 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)C=C2CCC(C)(C)CC2)c1F ZINC001599487904 996885619 /nfs/dbraw/zinc/88/56/19/996885619.db2.gz MXNZYIDRNHPLDX-UHFFFAOYSA-N -1 0 335.375 3.998 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2ccc3c(c2)CCC=C3)c1F ZINC001599490422 996929000 /nfs/dbraw/zinc/92/90/00/996929000.db2.gz QCUNHLYYTLVGOD-UHFFFAOYSA-N -1 0 341.338 3.744 20 0 EHADRM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1cncc(Cl)c1 ZINC000339963605 1016079969 /nfs/dbraw/zinc/07/99/69/1016079969.db2.gz YASBDXDMEYORJH-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM COC1(C(=O)O[C@H]2CCCc3cc(C(=O)[O-])ccc32)CCCCC1 ZINC001599080149 996979014 /nfs/dbraw/zinc/97/90/14/996979014.db2.gz IGRYKPIDDMYHOH-INIZCTEOSA-N -1 0 332.396 3.655 20 0 EHADRM COCc1cc(N[C@H]2CCc3ccc(OC)cc3C2)cc(C(=O)[O-])c1 ZINC001599288281 997019041 /nfs/dbraw/zinc/01/90/41/997019041.db2.gz TYYODOWNLVNKLX-KRWDZBQOSA-N -1 0 341.407 3.509 20 0 EHADRM COCC1(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CCCC1 ZINC001599187475 997054210 /nfs/dbraw/zinc/05/42/10/997054210.db2.gz KSEHVDMIQQPXHV-UHFFFAOYSA-N -1 0 333.409 3.745 20 0 EHADRM COc1ccc(C(=O)[O-])c2c1CN([C@H](C)c1ccc(F)cc1F)CC2 ZINC001599498140 997056282 /nfs/dbraw/zinc/05/62/82/997056282.db2.gz VLPOGBPMTVRPMW-LLVKDONJSA-N -1 0 347.361 3.791 20 0 EHADRM COC[C@]1(C(=O)[O-])CCCCN1Cc1c(Cl)oc2ccccc21 ZINC001599187929 997063712 /nfs/dbraw/zinc/06/37/12/997063712.db2.gz JBLLSJXJTIZCOX-KRWDZBQOSA-N -1 0 337.803 3.542 20 0 EHADRM CC1(C)Cc2cc(-c3nc(-c4ccc(C(=O)[O-])cc4)no3)ccc2O1 ZINC001593964328 997094888 /nfs/dbraw/zinc/09/48/88/997094888.db2.gz HJRRVHINRDZNJA-UHFFFAOYSA-N -1 0 336.347 3.815 20 0 EHADRM CC1(C)Cc2cc(C(=O)N3CC[C@H]3C(=O)[O-])sc2-c2ccccc21 ZINC001593964226 997095189 /nfs/dbraw/zinc/09/51/89/997095189.db2.gz FEFQVQPBGKYBLO-AWEZNQCLSA-N -1 0 341.432 3.548 20 0 EHADRM CC1(C)Cc2cc(C(=O)N[C@@H](CC3CCCCC3)C(=O)[O-])ccc2O1 ZINC001593965072 997102183 /nfs/dbraw/zinc/10/21/83/997102183.db2.gz UTGNUARNVVZZSI-INIZCTEOSA-N -1 0 345.439 3.554 20 0 EHADRM COC1(CC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2Cl)CCC1 ZINC001599087236 997120602 /nfs/dbraw/zinc/12/06/02/997120602.db2.gz DVPCPIGFDJYDCF-UHFFFAOYSA-N -1 0 332.183 3.589 20 0 EHADRM CO[C@@]1(C)CCCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC001599088404 997142982 /nfs/dbraw/zinc/14/29/82/997142982.db2.gz UNNAQVLCSINFQE-ZFWWWQNUSA-N -1 0 332.227 3.620 20 0 EHADRM COCc1ccccc1-c1cc(C(=O)[O-])n(C(=O)OC(C)(C)C)c1 ZINC001599297135 997165263 /nfs/dbraw/zinc/16/52/63/997165263.db2.gz JZENCAXXDGPJGS-UHFFFAOYSA-N -1 0 331.368 3.783 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC001599399773 997193833 /nfs/dbraw/zinc/19/38/33/997193833.db2.gz ORUPJXVNIOCJSL-LPXAQJHASA-N -1 0 330.380 3.525 20 0 EHADRM COc1ccc(/C(C)=C/C(=O)N[C@@]2(C(=O)[O-])CCCC(C)(C)C2)cc1 ZINC001599505957 997210258 /nfs/dbraw/zinc/21/02/58/997210258.db2.gz AEJGODJNOHWFGN-PKHIPVCBSA-N -1 0 345.439 3.638 20 0 EHADRM COc1cc(CC(=O)Oc2cc(Cl)ccc2C(=O)[O-])ccc1C ZINC001599401565 997223868 /nfs/dbraw/zinc/22/38/68/997223868.db2.gz CULJDZNXAJACHY-UHFFFAOYSA-N -1 0 334.755 3.503 20 0 EHADRM CC1(C)[C@H](C(=O)Nc2ccc(F)cc2C(=O)[O-])[C@H]1c1ccccc1 ZINC001593987151 997225830 /nfs/dbraw/zinc/22/58/30/997225830.db2.gz HXFYHHWXZSTJBG-CVEARBPZSA-N -1 0 327.355 3.902 20 0 EHADRM CC1(C)[C@H](C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])[C@H]1c1ccccc1 ZINC001593987210 997227310 /nfs/dbraw/zinc/22/73/10/997227310.db2.gz LFVYBXVKXNKYQA-KSZLIROESA-N -1 0 343.467 3.824 20 0 EHADRM COc1ccc(/C(C)=C/C(=O)NC2(CCC(=O)[O-])CCCCC2)cc1 ZINC001599507094 997228713 /nfs/dbraw/zinc/22/87/13/997228713.db2.gz ZOGPQRBSSLVZMF-CCEZHUSRSA-N -1 0 345.439 3.782 20 0 EHADRM CC1(C)[C@H](C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)[C@H]1c1ccccc1 ZINC001593987391 997230899 /nfs/dbraw/zinc/23/08/99/997230899.db2.gz WDBPJGJTOLNRRW-PZTGFMGMSA-N -1 0 341.451 3.530 20 0 EHADRM COCc1nc(NC(=O)CCCCCC(C)C)sc1C(=O)[O-] ZINC001599302533 997257323 /nfs/dbraw/zinc/25/73/23/997257323.db2.gz ASHFWSYAEJJJSR-UHFFFAOYSA-N -1 0 328.434 3.533 20 0 EHADRM C[C@]1(CC(=O)N2CCCc3ccc(C(=O)[O-])cc32)CC1(Cl)Cl ZINC001593996502 997307167 /nfs/dbraw/zinc/30/71/67/997307167.db2.gz XGQJKSYGAORWSI-HNNXBMFYSA-N -1 0 342.222 3.638 20 0 EHADRM CC1(CC(=O)N[C@@H](Cc2cc3ccccc3o2)C(=O)[O-])CCCC1 ZINC001593998271 997323731 /nfs/dbraw/zinc/32/37/31/997323731.db2.gz VUOCBWICPMKXMX-HNNXBMFYSA-N -1 0 329.396 3.515 20 0 EHADRM COCc1sccc1C(=O)Nc1c(C)ccc(Cl)c1C(=O)[O-] ZINC001599307085 997336769 /nfs/dbraw/zinc/33/67/69/997336769.db2.gz LMUYYOJSBQRWST-UHFFFAOYSA-N -1 0 339.800 3.807 20 0 EHADRM CON(C(=O)/C(C)=C\c1c(Cl)cccc1Cl)[C@H](C)CC(=O)[O-] ZINC001599309310 997385903 /nfs/dbraw/zinc/38/59/03/997385903.db2.gz CEOVKAQVOHTFDA-UJICNMFASA-N -1 0 346.210 3.650 20 0 EHADRM COc1cc(CNC(=O)Nc2ccc(Cl)cc2C)ccc1C(=O)[O-] ZINC001599411606 997432674 /nfs/dbraw/zinc/43/26/74/997432674.db2.gz DHQZJTGOWYSOMM-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM C[C@]1(CNC(=O)Nc2cccc3cc(C(=O)[O-])sc32)CC1(F)F ZINC001594021986 997544579 /nfs/dbraw/zinc/54/45/79/997544579.db2.gz PKAXCILICNNKCW-CQSZACIVSA-N -1 0 340.351 3.766 20 0 EHADRM CON(Cc1ccccc1Cl)C(=O)c1ccccc1CCC(=O)[O-] ZINC001599318850 997545536 /nfs/dbraw/zinc/54/55/36/997545536.db2.gz SNEPTWMSRQETDJ-UHFFFAOYSA-N -1 0 347.798 3.561 20 0 EHADRM C[C@@]1(Cc2ccc(F)c(Cl)c2)CCCN1c1nccc(C(=O)[O-])n1 ZINC001594041657 997666309 /nfs/dbraw/zinc/66/63/09/997666309.db2.gz QGCDYXPSNVWIOH-KRWDZBQOSA-N -1 0 349.793 3.569 20 0 EHADRM COc1ccc([C@H](NCc2ccc(-c3ccccc3)o2)C(=O)[O-])cc1 ZINC001599532141 997674488 /nfs/dbraw/zinc/67/44/88/997674488.db2.gz OZBJIZZCTQKJCP-IBGZPJMESA-N -1 0 337.375 3.871 20 0 EHADRM COc1cc(NC(=O)C(C)(C)c2ccccc2Cl)ccc1C(=O)[O-] ZINC001599430071 997743601 /nfs/dbraw/zinc/74/36/01/997743601.db2.gz OOFHVMCXGVCEAK-UHFFFAOYSA-N -1 0 347.798 3.963 20 0 EHADRM C[C@]1(NC(=O)CCCc2ccccc2Cl)CCCC[C@@H]1C(=O)[O-] ZINC001594052369 997756342 /nfs/dbraw/zinc/75/63/42/997756342.db2.gz GNLFLVXIGUFJQH-KDOFPFPSSA-N -1 0 337.847 3.812 20 0 EHADRM C[C@@]1(NC(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)CC=CCC1 ZINC001594052775 997761731 /nfs/dbraw/zinc/76/17/31/997761731.db2.gz MDTSXAYRVBGOCA-OAHLLOKOSA-N -1 0 326.755 3.798 20 0 EHADRM C[C@@]1(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CCCC[C@H]1C(=O)[O-] ZINC001594055667 997788099 /nfs/dbraw/zinc/78/80/99/997788099.db2.gz HQIOCERHNOZJPF-JTOWHCCKSA-N -1 0 335.831 3.593 20 0 EHADRM COc1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC001599539068 997799624 /nfs/dbraw/zinc/79/96/24/997799624.db2.gz MNLCVTJZTOVBAA-KRWDZBQOSA-N -1 0 340.379 3.762 20 0 EHADRM COC(=O)c1cc(COc2cc(F)cc(Cl)c2)cc(C(=O)[O-])c1 ZINC001598935467 997856396 /nfs/dbraw/zinc/85/63/96/997856396.db2.gz WDWFORRYLICOSC-UHFFFAOYSA-N -1 0 338.718 3.543 20 0 EHADRM COc1c(NC(=O)N(C2CC2)C2CCCCC2)cccc1C(=O)[O-] ZINC001599338050 997872398 /nfs/dbraw/zinc/87/23/98/997872398.db2.gz GGKYOWRLUWHYFD-UHFFFAOYSA-N -1 0 332.400 3.722 20 0 EHADRM COc1c(NC(=O)N[C@@H](C)c2ccc(Cl)cc2)cccc1C(=O)[O-] ZINC001599338945 997888262 /nfs/dbraw/zinc/88/82/62/997888262.db2.gz BUMARZHWTPARBC-JTQLQIEISA-N -1 0 348.786 3.930 20 0 EHADRM COC(=O)c1cc(NC(=O)C=C2CCC(C)(C)CC2)ccc1C(=O)[O-] ZINC001598937735 997902754 /nfs/dbraw/zinc/90/27/54/997902754.db2.gz HWBXHKQYTXMLKK-UHFFFAOYSA-N -1 0 345.395 3.637 20 0 EHADRM COC(=O)c1cc(NC(=O)C[C@H]2CCCCC2(C)C)cc(C(=O)[O-])c1 ZINC001598938298 997913006 /nfs/dbraw/zinc/91/30/06/997913006.db2.gz QYILGKZRXBFTSJ-CQSZACIVSA-N -1 0 347.411 3.716 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)c1ccccc1Cl ZINC001599545514 997915077 /nfs/dbraw/zinc/91/50/77/997915077.db2.gz OMZYCPCXBUVFMX-CLFYSBASSA-N -1 0 332.739 3.666 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)c1cccc2cccnc21 ZINC001599546590 997933818 /nfs/dbraw/zinc/93/38/18/997933818.db2.gz XZWIYTUTQUVFMP-NTMALXAHSA-N -1 0 349.342 3.560 20 0 EHADRM COc1cc(NCC(=O)Nc2ccc(C(C)C)cc2)ccc1C(=O)[O-] ZINC001599442670 997954776 /nfs/dbraw/zinc/95/47/76/997954776.db2.gz GTAXZAWJHJHEOG-UHFFFAOYSA-N -1 0 342.395 3.567 20 0 EHADRM COc1cc(N[C@@H](C)c2ccccc2OCC(=O)[O-])cc(OC)c1C ZINC001599443068 997962131 /nfs/dbraw/zinc/96/21/31/997962131.db2.gz NSNBPJGDIGVSEQ-ZDUSSCGKSA-N -1 0 345.395 3.649 20 0 EHADRM COc1cc(N[C@@H](C)c2ncc(C(=O)[O-])s2)ccc1OC(C)C ZINC001599443514 997969205 /nfs/dbraw/zinc/96/92/05/997969205.db2.gz VEBQIYNXZGOBEB-JTQLQIEISA-N -1 0 336.413 3.810 20 0 EHADRM COc1cc(NCc2cccc(Br)c2)ccc1C(=O)[O-] ZINC001599443546 997970277 /nfs/dbraw/zinc/97/02/77/997970277.db2.gz HOVYPLOOJAFKFJ-UHFFFAOYSA-N -1 0 336.185 3.768 20 0 EHADRM COc1cc(NCc2ccc(C(=O)[O-])cn2)cc(OC)c1C(C)C ZINC001599444164 997979901 /nfs/dbraw/zinc/97/99/01/997979901.db2.gz YTSZMEWCTYJEKU-UHFFFAOYSA-N -1 0 330.384 3.533 20 0 EHADRM COc1cc(N[C@H](C(=O)[O-])c2ccccc2F)ccc1OC(C)C ZINC001599444334 997982675 /nfs/dbraw/zinc/98/26/75/997982675.db2.gz HBJPRCGJISCRTL-KRWDZBQOSA-N -1 0 333.359 3.859 20 0 EHADRM COc1ccc(C[C@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)[O-])cc1 ZINC001599549934 997988517 /nfs/dbraw/zinc/98/85/17/997988517.db2.gz DUKIAUOPDCMNDI-NSHDSACASA-N -1 0 347.798 3.864 20 0 EHADRM COc1cc(OC(=O)CC(C)(C)c2ccccc2)ccc1C(=O)[O-] ZINC001599445835 998007736 /nfs/dbraw/zinc/00/77/36/998007736.db2.gz NLTVHGPNRWHZSS-UHFFFAOYSA-N -1 0 328.364 3.667 20 0 EHADRM COc1cc(OC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)ccc1C(=O)[O-] ZINC001599446456 998017191 /nfs/dbraw/zinc/01/71/91/998017191.db2.gz VIQVZKQJPKJTCS-GJZGRUSLSA-N -1 0 346.766 3.756 20 0 EHADRM COc1cc(OC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)ccc1C(=O)[O-] ZINC001599446579 998019200 /nfs/dbraw/zinc/01/92/00/998019200.db2.gz ZMGYSDRZAOLDKN-BFHYXJOUSA-N -1 0 332.396 3.905 20 0 EHADRM COc1ccc(CCCCCC(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C)cc1 ZINC001599554972 998074398 /nfs/dbraw/zinc/07/43/98/998074398.db2.gz WONXJETXCYUWOD-NVXWUHKLSA-N -1 0 347.455 3.510 20 0 EHADRM COC(=O)c1cc(NC(=O)c2cccc3ccccc32)cc(C(=O)[O-])c1 ZINC001598947771 998087887 /nfs/dbraw/zinc/08/78/87/998087887.db2.gz HTADWZYPXZRTHO-UHFFFAOYSA-N -1 0 349.342 3.577 20 0 EHADRM COc1cc(C(=O)N2CCCc3c(C(=O)[O-])ccc(C)c32)ccc1C ZINC001599351193 998096598 /nfs/dbraw/zinc/09/65/98/998096598.db2.gz SGACENJGQCBESI-UHFFFAOYSA-N -1 0 339.391 3.603 20 0 EHADRM COc1cc(OC)cc([C@H](Sc2cc(C)cc(C)n2)C(=O)[O-])c1 ZINC001599451368 998107765 /nfs/dbraw/zinc/10/77/65/998107765.db2.gz CSZJIEOZPPFIJJ-INIZCTEOSA-N -1 0 333.409 3.634 20 0 EHADRM COc1cc(OC)cc(N(C)Cc2cccc(C(=O)[O-])c2Cl)c1 ZINC001599451526 998110972 /nfs/dbraw/zinc/11/09/72/998110972.db2.gz JOOVUGBZFLYGDX-UHFFFAOYSA-N -1 0 335.787 3.692 20 0 EHADRM CC1=C(C(=O)[O-])C[C@H](COc2ccc(-c3ccccc3)cc2C=O)O1 ZINC001594107057 998171642 /nfs/dbraw/zinc/17/16/42/998171642.db2.gz SWKDFJIQDPBORM-QGZVFWFLSA-N -1 0 338.359 3.692 20 0 EHADRM COC(=O)c1cc(OCc2ccccc2OC(C)C)cc(C(=O)[O-])c1 ZINC001598952220 998175556 /nfs/dbraw/zinc/17/55/56/998175556.db2.gz XKFINSLNDQOOJE-UHFFFAOYSA-N -1 0 344.363 3.538 20 0 EHADRM COc1cc(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)c2ccccc2n1 ZINC001599356048 998180247 /nfs/dbraw/zinc/18/02/47/998180247.db2.gz VMAKCIHCYOFSPW-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM COc1cc(OC2CC2)ccc1C(=O)Nc1sc(C)cc1C(=O)[O-] ZINC001599455820 998186059 /nfs/dbraw/zinc/18/60/59/998186059.db2.gz KYCRUWFWMAXFMS-UHFFFAOYSA-N -1 0 347.392 3.557 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)[C@@H](C)CCC(C)(C)C)c1OC ZINC001599356671 998190115 /nfs/dbraw/zinc/19/01/15/998190115.db2.gz GUJCHTLYPOQOCV-NSHDSACASA-N -1 0 337.416 3.803 20 0 EHADRM CC1=C(C)C[C@H](C(=O)Nc2cc3c(cc2C(=O)[O-])OCCCO3)CC1 ZINC001594110756 998215372 /nfs/dbraw/zinc/21/53/72/998215372.db2.gz YNJKZSPDKNBBMU-CYBMUJFWSA-N -1 0 345.395 3.621 20 0 EHADRM CCN(C(=O)c1cc(F)c([O-])c(F)c1)[C@H](C)Cc1ccsc1 ZINC000275248896 1016203828 /nfs/dbraw/zinc/20/38/28/1016203828.db2.gz VIFZDYMAENPSRZ-SNVBAGLBSA-N -1 0 325.380 3.825 20 0 EHADRM COc1cc(C(=O)[O-])ccc1CCNc1ccnc(-c2ccccc2)n1 ZINC001599368691 998376429 /nfs/dbraw/zinc/37/64/29/998376429.db2.gz WTLHOVWLELHDQL-UHFFFAOYSA-N -1 0 349.390 3.505 20 0 EHADRM C[C@@H]1[C@H](C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)[C@H]1c1ccccc1 ZINC001594136151 998376441 /nfs/dbraw/zinc/37/64/41/998376441.db2.gz MPQNDIVCHYEZLA-GJGHSUIPSA-N -1 0 341.382 3.507 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)C/C=C\c1cccc(F)c1 ZINC001599369667 998390702 /nfs/dbraw/zinc/39/07/02/998390702.db2.gz LXJHQILBAGHCEC-HYXAFXHYSA-N -1 0 329.327 3.575 20 0 EHADRM COc1ccc(-c2ccc(CNc3nc(C)cc(C(=O)[O-])n3)cc2)cc1 ZINC001599468242 998402196 /nfs/dbraw/zinc/40/21/96/998402196.db2.gz IDWAMMYPSBRAMR-UHFFFAOYSA-N -1 0 349.390 3.771 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)c1cc2ccccc2o1 ZINC001599371063 998409974 /nfs/dbraw/zinc/40/99/74/998409974.db2.gz NWUXLDVEGQQSFA-NSHDSACASA-N -1 0 339.347 3.882 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)NC1(C)CCC(C)(C)CC1 ZINC001599373158 998442840 /nfs/dbraw/zinc/44/28/40/998442840.db2.gz VQLGHXBLJPMIPQ-UHFFFAOYSA-N -1 0 334.416 3.874 20 0 EHADRM COc1ccc(-c2nc(CSc3ccc(C(=O)[O-])cc3)no2)cc1 ZINC001599470733 998445816 /nfs/dbraw/zinc/44/58/16/998445816.db2.gz SAZMDAIYABCSDE-UHFFFAOYSA-N -1 0 342.376 3.736 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1sc(C)nc1CC(C)C ZINC001599375991 998487756 /nfs/dbraw/zinc/48/77/56/998487756.db2.gz SNYHFUYXHPUKGY-UHFFFAOYSA-N -1 0 348.424 3.609 20 0 EHADRM COc1ccc(Br)c(OCc2csc(C(=O)[O-])c2)c1 ZINC001599476016 998532757 /nfs/dbraw/zinc/53/27/57/998532757.db2.gz SLCOADUJILWECL-UHFFFAOYSA-N -1 0 343.198 3.796 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC001594158587 998587441 /nfs/dbraw/zinc/58/74/41/998587441.db2.gz JMEREQHYVNRSGB-MRVWCRGKSA-N -1 0 349.496 3.834 20 0 EHADRM COc1ccc(C(=O)N(Cc2ccccc2)C(C)(C)C(=O)[O-])c(C)c1 ZINC001599479849 998589495 /nfs/dbraw/zinc/58/94/95/998589495.db2.gz HRIUJWVVGPKMGM-UHFFFAOYSA-N -1 0 341.407 3.509 20 0 EHADRM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1C(=O)CCc1ccc(C(F)F)cc1 ZINC001594206009 998792425 /nfs/dbraw/zinc/79/24/25/998792425.db2.gz NYIOUTRICNDVTG-RYUDHWBXSA-N -1 0 339.382 3.657 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1C(=O)c1cccc(Cl)c1Cl ZINC001594206168 998793308 /nfs/dbraw/zinc/79/33/08/998793308.db2.gz PSOQWUMAZNRXOM-ILWJIGKKSA-N -1 0 330.211 3.707 20 0 EHADRM C[C@H]1CC(C)(C)CN1C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001594215890 998829977 /nfs/dbraw/zinc/82/99/77/998829977.db2.gz BDNFAKBIIUAUEQ-QMMMGPOBSA-N -1 0 328.771 3.830 20 0 EHADRM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001594217695 998839400 /nfs/dbraw/zinc/83/94/00/998839400.db2.gz XCBXTLLATNJQKK-CZUORRHYSA-N -1 0 348.443 3.876 20 0 EHADRM C[C@@H]1CC(C)(C)c2cccc(NC(=O)NC3(CC(=O)[O-])CCC3)c21 ZINC001594217761 998840004 /nfs/dbraw/zinc/84/00/04/998840004.db2.gz YIGIJVGYUGQFKQ-GFCCVEGCSA-N -1 0 330.428 3.990 20 0 EHADRM C[C@H]1C[C@@H](CCNC(=O)Nc2cc(C(=O)[O-])n(C)c2)CC(C)(C)C1 ZINC001594231468 998880037 /nfs/dbraw/zinc/88/00/37/998880037.db2.gz BQJGATKXTISWLA-QWHCGFSZSA-N -1 0 335.448 3.697 20 0 EHADRM C[C@@H]1C[C@H](CC(=O)Nc2cccc(OCC(=O)[O-])c2)CC(C)(C)C1 ZINC001594233710 998891044 /nfs/dbraw/zinc/89/10/44/998891044.db2.gz ZIGJCTISYXFHSO-ZIAGYGMSSA-N -1 0 333.428 3.941 20 0 EHADRM CSCc1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000340092619 1016263597 /nfs/dbraw/zinc/26/35/97/1016263597.db2.gz VNNSDNGIXGAANY-UHFFFAOYSA-N -1 0 329.393 3.629 20 0 EHADRM CC1CCC(=CC(=O)Nc2cc(C(F)(F)F)cnc2C(=O)[O-])CC1 ZINC001594290065 999116285 /nfs/dbraw/zinc/11/62/85/999116285.db2.gz BNDZVLATLSRDSM-UHFFFAOYSA-N -1 0 342.317 3.874 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)NCC2(C(=O)[O-])CCCCC2)c1 ZINC001599040927 999117003 /nfs/dbraw/zinc/11/70/03/999117003.db2.gz DBXUKPWODGYLJO-CYBMUJFWSA-N -1 0 334.416 3.551 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)CCCC(F)(F)F)(C(=O)[O-])c2ccccc21 ZINC001594312871 999202060 /nfs/dbraw/zinc/20/20/60/999202060.db2.gz DXKKRJVWAVZBLO-ZBEGNZNMSA-N -1 0 343.345 3.713 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])[C@@H](C)C1 ZINC001594314472 999216690 /nfs/dbraw/zinc/21/66/90/999216690.db2.gz QDYJDGNLTPDLBJ-YQFWSFKMSA-N -1 0 346.471 3.962 20 0 EHADRM C[C@@H]1CC[C@@](NC(=O)/C=C/c2cccs2)(C(=O)[O-])c2ccccc21 ZINC001594315544 999222529 /nfs/dbraw/zinc/22/25/29/999222529.db2.gz YTDDTIHLHFCADZ-IEIIEHMNSA-N -1 0 341.432 3.755 20 0 EHADRM C[C@@H]1CC[C@](NC(=O)/C=C\c2cccs2)(C(=O)[O-])c2ccccc21 ZINC001594315543 999222551 /nfs/dbraw/zinc/22/25/51/999222551.db2.gz YTDDTIHLHFCADZ-BPRJSDSCSA-N -1 0 341.432 3.755 20 0 EHADRM C[C@@H](NC(=O)N=c1ccc(C2CC2)n[n-]1)c1cc2cccc(F)c2o1 ZINC000530546955 1016297492 /nfs/dbraw/zinc/29/74/92/1016297492.db2.gz OJCARMGYRPIBMX-SNVBAGLBSA-N -1 0 340.358 3.544 20 0 EHADRM CC1CCC(OCC(=O)N2CCCCc3cc(C(=O)[O-])ccc32)CC1 ZINC001594328787 999263354 /nfs/dbraw/zinc/26/33/54/999263354.db2.gz OQWOEOIBTFGKKS-UHFFFAOYSA-N -1 0 345.439 3.649 20 0 EHADRM C[C@H]1CC[C@H](c2ccccc2)N(C(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC001594329733 999267188 /nfs/dbraw/zinc/26/71/88/999267188.db2.gz CJWPFEDSOGASIV-HNAYVOBHSA-N -1 0 337.419 3.927 20 0 EHADRM COC1(C(=O)Nc2ncc(C(=O)[O-])c3ccccc32)CCCCCC1 ZINC001599067385 999307386 /nfs/dbraw/zinc/30/73/86/999307386.db2.gz CSMOTDINGLEFNX-UHFFFAOYSA-N -1 0 342.395 3.611 20 0 EHADRM C[C@@H]1CCC[C@H](CNC(=O)Nc2ccc(C(=O)[O-])c3ccccc23)O1 ZINC001594347304 999315900 /nfs/dbraw/zinc/31/59/00/999315900.db2.gz ZCSHHZWRHYHCSI-CHWSQXEVSA-N -1 0 342.395 3.617 20 0 EHADRM C[C@@H]1CCC[C@H](OCCCCCC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C1 ZINC001594354219 999338125 /nfs/dbraw/zinc/33/81/25/999338125.db2.gz AODPSOWMBNMGPX-TWMKSMIVSA-N -1 0 339.476 3.512 20 0 EHADRM O=c1cc(C[C@@H]2CCCO2)[n-]n1Cc1c(Cl)cccc1Cl ZINC000634630145 1016308649 /nfs/dbraw/zinc/30/86/49/1016308649.db2.gz NLUKQAMZLLGQDI-NSHDSACASA-N -1 0 327.211 3.651 20 0 EHADRM C[C@@H]1CCC[C@H]1CC(=O)N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001594358074 999354505 /nfs/dbraw/zinc/35/45/05/999354505.db2.gz UFQODCGPNFQUHL-IFUGULHKSA-N -1 0 343.345 3.774 20 0 EHADRM C[C@H]1CCCC[C@@H]1C(=O)Oc1ccc(Br)cc1C(=O)[O-] ZINC001594364327 999376691 /nfs/dbraw/zinc/37/66/91/999376691.db2.gz YIDHOOLOEXIIDW-ONGXEEELSA-N -1 0 341.201 3.879 20 0 EHADRM C[C@@H]1CCCCN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC001594370036 999393563 /nfs/dbraw/zinc/39/35/63/999393563.db2.gz DVJULYVFZIZSMM-ZBFHGGJFSA-N -1 0 332.444 3.670 20 0 EHADRM C[C@@H]1CCCN(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)[C@@H]1C ZINC001594377424 999422236 /nfs/dbraw/zinc/42/22/36/999422236.db2.gz CEQMQCADJHCYLP-RKDXNWHRSA-N -1 0 328.771 3.830 20 0 EHADRM C[C@H]1CCCN1C(=O)CCSCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001594388135 999468846 /nfs/dbraw/zinc/46/88/46/999468846.db2.gz GHPZPCKOLSGPDK-NSHDSACASA-N -1 0 341.860 3.672 20 0 EHADRM C[C@H]1CCN(C(=O)CCCc2csc3ccccc23)[C@H](C(=O)[O-])C1 ZINC001594395843 999491284 /nfs/dbraw/zinc/49/12/84/999491284.db2.gz GRQXOHXNBGIOGZ-BBRMVZONSA-N -1 0 345.464 3.936 20 0 EHADRM CC(C)c1ccc(SCC(=O)N2CC[C@H](C)C[C@@H]2C(=O)[O-])cc1 ZINC001594400927 999500365 /nfs/dbraw/zinc/50/03/65/999500365.db2.gz NNVDTXWZFCQWRR-XJKSGUPXSA-N -1 0 335.469 3.614 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)[C@@H](C(=O)[O-])C1 ZINC001594410435 999531599 /nfs/dbraw/zinc/53/15/99/999531599.db2.gz PQGUGCNZQBXUTP-PRHODGIISA-N -1 0 349.736 3.684 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)N[C@@]3(C)CCCC[C@@H]3C(=O)[O-])cc2C1 ZINC001594450554 999647794 /nfs/dbraw/zinc/64/77/94/999647794.db2.gz HUVNUWJLEIRROQ-BVRBVLIYSA-N -1 0 335.469 3.636 20 0 EHADRM C[C@H]1CCc2sc(-c3nnc(-c4ccc(C(=O)[O-])cn4)o3)cc2C1 ZINC001594450970 999649274 /nfs/dbraw/zinc/64/92/74/999649274.db2.gz QHNBNZJSXMZRPP-VIFPVBQESA-N -1 0 341.392 3.683 20 0 EHADRM COc1cc(F)cc2sc(NC(=O)c3c([O-])cccc3F)nc21 ZINC000547796126 1016360044 /nfs/dbraw/zinc/36/00/44/1016360044.db2.gz KUZCDSQSNLSXNN-UHFFFAOYSA-N -1 0 336.319 3.541 20 0 EHADRM Cc1ccc(CCCCC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655580605 1016473936 /nfs/dbraw/zinc/47/39/36/1016473936.db2.gz PHQGWLKMPTWWFL-BPQIPLTHSA-N -1 0 345.483 3.959 20 0 EHADRM Cc1n[nH]c(NS(=O)(=O)CCCCF)c1-c1ccc(Cl)cc1 ZINC000634664915 1016580318 /nfs/dbraw/zinc/58/03/18/1016580318.db2.gz QGDYXTUOBXRXSU-UHFFFAOYSA-N -1 0 345.827 3.530 20 0 EHADRM CSCc1cc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)ccc1F ZINC000166169015 1016590928 /nfs/dbraw/zinc/59/09/28/1016590928.db2.gz OWMKLGOLEQUXNU-UHFFFAOYSA-N -1 0 336.344 3.555 20 0 EHADRM CC[C@](C)([N-]S(=O)(=O)CCc1cccc(Cl)c1)C(F)(F)F ZINC000552034020 1038750942 /nfs/dbraw/zinc/75/09/42/1038750942.db2.gz SCTSLYFUNSQJCX-LBPRGKRZSA-N -1 0 343.798 3.533 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(Cc2ccc(Br)c(Cl)c2)C1 ZINC000236425151 1016644847 /nfs/dbraw/zinc/64/48/47/1016644847.db2.gz LQGTYDOIHIVIBN-JTQLQIEISA-N -1 0 346.652 3.789 20 0 EHADRM O=C(NCC1(c2cccc(Cl)c2)CC1)c1cc(F)c([O-])c(F)c1 ZINC000180050213 1016884087 /nfs/dbraw/zinc/88/40/87/1016884087.db2.gz RNBZOCSSLJFRDC-UHFFFAOYSA-N -1 0 337.753 3.785 20 0 EHADRM C[C@@H]1[C@@H](C(=O)N=c2nc(-c3ccccc3)[n-]s2)[C@H]1c1ccccc1 ZINC000430412887 1016929847 /nfs/dbraw/zinc/92/98/47/1016929847.db2.gz YKDHRTCFDOCFOK-APHBMKBZSA-N -1 0 335.432 3.615 20 0 EHADRM Cc1cc(Nc2cc(Br)cnc2F)ccc1C(=O)[O-] ZINC001211648211 1016979662 /nfs/dbraw/zinc/97/96/62/1016979662.db2.gz VZBGKFSVIGHWJH-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM C[C@H](Cc1ccco1)C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000659764453 1016983332 /nfs/dbraw/zinc/98/33/32/1016983332.db2.gz KXXWDBLIBJDCSF-CQSZACIVSA-N -1 0 341.407 3.563 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N(C)[C@H](C)C2(C)CC2)s1 ZINC000471312539 1017020711 /nfs/dbraw/zinc/02/07/11/1017020711.db2.gz ASZJPHXKLNXFIP-LLVKDONJSA-N -1 0 348.447 3.727 20 0 EHADRM CC(C)c1nc(=NCc2ccc(COCC(F)(F)F)cc2)s[n-]1 ZINC000531171818 1017037533 /nfs/dbraw/zinc/03/75/33/1017037533.db2.gz ITBINCAOTREWLP-UHFFFAOYSA-N -1 0 345.390 3.774 20 0 EHADRM O=C(Nc1ccccc1OC(F)F)c1cc(F)c(F)c([O-])c1F ZINC000183347403 1032164983 /nfs/dbraw/zinc/16/49/83/1032164983.db2.gz TYPAJSDBRJSVHG-UHFFFAOYSA-N -1 0 333.212 3.663 20 0 EHADRM CCc1ccc(O)c(C(=O)N2C[C@H](C)OC[C@@H]2c2ccccc2)c1 ZINC000536724804 1032216563 /nfs/dbraw/zinc/21/65/63/1032216563.db2.gz PYYMNWNDKXJTJS-KBXCAEBGSA-N -1 0 325.408 3.557 20 0 EHADRM CSCc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000184027487 1032225838 /nfs/dbraw/zinc/22/58/38/1032225838.db2.gz PIBCDLAIGVDELW-UHFFFAOYSA-N -1 0 329.393 3.629 20 0 EHADRM O=C([O-])c1coc(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)c1 ZINC000183805961 1032229579 /nfs/dbraw/zinc/22/95/79/1032229579.db2.gz KWLTUVWRAIJNHL-LLVKDONJSA-N -1 0 337.784 3.598 20 0 EHADRM CCC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000081345099 1032301024 /nfs/dbraw/zinc/30/10/24/1032301024.db2.gz DEHLZBOXPVILFB-WBVHZDCISA-N -1 0 341.455 3.563 20 0 EHADRM COc1ccc(C(=O)Nc2n[nH]c(-c3cc4ccccc4o3)n2)c(C)c1 ZINC000485111336 1032319579 /nfs/dbraw/zinc/31/95/79/1032319579.db2.gz ZORACBBYSGAYSM-UHFFFAOYSA-N -1 0 348.362 3.787 20 0 EHADRM CSc1cccc(C)c1NC(=O)[C@@H]1C[C@@]1(C(=O)[O-])c1ccccc1 ZINC000905119363 1032350768 /nfs/dbraw/zinc/35/07/68/1032350768.db2.gz YSFXQWLLRKNQIF-IFXJQAMLSA-N -1 0 341.432 3.698 20 0 EHADRM CC1(C)C[C@@H](c2ccccc2)N(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C1 ZINC000905123834 1032353438 /nfs/dbraw/zinc/35/34/38/1032353438.db2.gz NIBQAVJWVHZVGY-IKGGRYGDSA-N -1 0 329.440 3.877 20 0 EHADRM CC(C)(C)OCc1ccccc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000905130831 1032358941 /nfs/dbraw/zinc/35/89/41/1032358941.db2.gz JTMDBAIYTQCHFN-HUUCEWRRSA-N -1 0 331.412 3.607 20 0 EHADRM O=S(=O)(N[C@H](c1ccccn1)C1CCC1)c1ccc(Cl)s1 ZINC000528499010 1032360644 /nfs/dbraw/zinc/36/06/44/1032360644.db2.gz HCEZZPGUVBIVMR-AWEZNQCLSA-N -1 0 342.873 3.616 20 0 EHADRM C[C@H]1CCCC[C@@H]1CC(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1 ZINC000538470417 1032393627 /nfs/dbraw/zinc/39/36/27/1032393627.db2.gz KXSIULSLQJLLKB-UONOGXRCSA-N -1 0 328.412 3.881 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)CC2 ZINC000262989143 1032407948 /nfs/dbraw/zinc/40/79/48/1032407948.db2.gz NZKSBDDGEZYINN-LZLYRXPVSA-N -1 0 329.440 3.805 20 0 EHADRM CCN(C(=O)c1ccc(C(=O)[O-])cc1F)[C@H](C)Cc1ccsc1 ZINC000263035680 1032415434 /nfs/dbraw/zinc/41/54/34/1032415434.db2.gz REPPTFXHIOZAKV-LLVKDONJSA-N -1 0 335.400 3.679 20 0 EHADRM CCCn1ccc2cc(NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])ccc21 ZINC000601990876 1032584048 /nfs/dbraw/zinc/58/40/48/1032584048.db2.gz DXVGDOJZCIUPTG-NEPJUHHUSA-N -1 0 334.441 3.585 20 0 EHADRM CCC(CC)[C@H](NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])c1cccs1 ZINC000601993503 1032584626 /nfs/dbraw/zinc/58/46/26/1032584626.db2.gz JRTQNGCKLAYWBO-SUNKGSAMSA-N -1 0 343.514 3.936 20 0 EHADRM Cc1cc(NC(=O)[C@H](C)S[C@H](C)C(=O)[O-])cc(C(F)(F)F)c1 ZINC000601994375 1032585306 /nfs/dbraw/zinc/58/53/06/1032585306.db2.gz VFIVTGHUHHCMMW-DTWKUNHWSA-N -1 0 335.347 3.547 20 0 EHADRM CCC(CC)[C@H](NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])c1cccs1 ZINC000601993502 1032585469 /nfs/dbraw/zinc/58/54/69/1032585469.db2.gz JRTQNGCKLAYWBO-MJVIPROJSA-N -1 0 343.514 3.936 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000601997604 1032586077 /nfs/dbraw/zinc/58/60/77/1032586077.db2.gz SLVBZQGWUQZNGC-SUNKGSAMSA-N -1 0 341.860 3.598 20 0 EHADRM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H](C)S[C@H](C)C(=O)[O-] ZINC000601999344 1032586220 /nfs/dbraw/zinc/58/62/20/1032586220.db2.gz WEPCFYPXRHZYSR-SRABZTEZSA-N -1 0 349.496 3.766 20 0 EHADRM CCOc1cccc(NC(=O)c2cccc(Br)c2[O-])c1 ZINC000592850521 1032595480 /nfs/dbraw/zinc/59/54/80/1032595480.db2.gz UHMJYVIAPCHLNQ-UHFFFAOYSA-N -1 0 336.185 3.806 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2C)sc1C ZINC000091019124 1032619069 /nfs/dbraw/zinc/61/90/69/1032619069.db2.gz IDSINWBTUOBRBR-UHFFFAOYSA-N -1 0 347.465 3.660 20 0 EHADRM C[C@H](NC(=O)C[C@]1(C(=O)[O-])CCSC1)c1cc2ccccc2s1 ZINC000592983323 1032653324 /nfs/dbraw/zinc/65/33/24/1032653324.db2.gz XFNTUNQFZPIASS-APPDUMDISA-N -1 0 349.477 3.677 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)N[C@H](CC1CCCC1)c1ccccc1 ZINC000414620147 1017069970 /nfs/dbraw/zinc/06/99/70/1017069970.db2.gz DTCNGFJBPLQVSO-QGZVFWFLSA-N -1 0 332.444 3.814 20 0 EHADRM CC[C@H]1CC[C@H](C)N1C(=O)N=c1[n-]nc(-c2cc(F)ccc2C)s1 ZINC000471345433 1017135924 /nfs/dbraw/zinc/13/59/24/1017135924.db2.gz GMXSPSGVDBMDNR-AAEUAGOBSA-N -1 0 348.447 3.869 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)NC[C@H]2CC=CCC2)s1 ZINC000471362462 1017202253 /nfs/dbraw/zinc/20/22/53/1017202253.db2.gz NYDKNQJAUURCHM-LBPRGKRZSA-N -1 0 346.431 3.552 20 0 EHADRM COc1ccc([C@@H](NC(=O)c2cc(F)c([O-])c(F)c2)C(C)C)cc1 ZINC000183342967 1017296684 /nfs/dbraw/zinc/29/66/84/1017296684.db2.gz PYIHCMALSMAIEF-INIZCTEOSA-N -1 0 335.350 3.806 20 0 EHADRM CSc1ccccc1CC(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000537423614 1032724758 /nfs/dbraw/zinc/72/47/58/1032724758.db2.gz PXSALFIZDCJIRJ-UHFFFAOYSA-N -1 0 347.490 3.592 20 0 EHADRM Cc1c2cccc(C)c2oc1CN(C)C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000655895353 1017863931 /nfs/dbraw/zinc/86/39/31/1017863931.db2.gz BJEIJKJTZGSHKI-OAHLLOKOSA-N -1 0 346.427 3.548 20 0 EHADRM CCCCN(CCCC)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655904696 1017894776 /nfs/dbraw/zinc/89/47/76/1017894776.db2.gz LOQAPJSZTZXBDI-SOUVJXGZSA-N -1 0 326.481 3.734 20 0 EHADRM O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1cc(O)cc(F)c1 ZINC000471453896 1017909886 /nfs/dbraw/zinc/90/98/86/1017909886.db2.gz WELJCCDCFZBSLW-VZUCSPMQSA-N -1 0 342.757 3.839 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@H](CC(=O)[O-])C1)c1cc2cccc(F)c2o1 ZINC000574138345 1032731088 /nfs/dbraw/zinc/73/10/88/1032731088.db2.gz DDYUCUKQNOACNJ-VXGBXAGGSA-N -1 0 348.374 3.529 20 0 EHADRM CSC1(CNC(=O)c2c(C)ccc(C)c2C(=O)[O-])CCCCC1 ZINC000323388756 1018065026 /nfs/dbraw/zinc/06/50/26/1018065026.db2.gz ITMIJHFZDVFOPZ-UHFFFAOYSA-N -1 0 335.469 3.797 20 0 EHADRM CCC(CC)(CC(=O)N[C@H](C)CSc1ccc(C)cc1)C(=O)[O-] ZINC000471473291 1018082454 /nfs/dbraw/zinc/08/24/54/1018082454.db2.gz UNQWYHLWGIYEBD-CQSZACIVSA-N -1 0 337.485 3.873 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2C[C@H](c3ccccc3C)C[C@H]2C)s1 ZINC000606545914 1032747134 /nfs/dbraw/zinc/74/71/34/1032747134.db2.gz IMRIBGMQXXJYPO-ZIAGYGMSSA-N -1 0 344.484 3.631 20 0 EHADRM C[C@@H]1c2c(F)cccc2CCN1C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000606571741 1032755363 /nfs/dbraw/zinc/75/53/63/1032755363.db2.gz SWMVSFSZPLOQMZ-SNVBAGLBSA-N -1 0 348.447 3.548 20 0 EHADRM Cc1ccc(S[C@H](C)C(=O)NCC2(C(=O)[O-])CCCCC2)cc1 ZINC000431852961 1018433696 /nfs/dbraw/zinc/43/36/96/1018433696.db2.gz CJTIPDQEFYDOJC-CQSZACIVSA-N -1 0 335.469 3.627 20 0 EHADRM Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/c1cc(C(=O)[O-])ccn1 ZINC000340596391 1018604859 /nfs/dbraw/zinc/60/48/59/1018604859.db2.gz YZQVUAVCGXOLKP-VMPITWQZSA-N -1 0 337.354 3.892 20 0 EHADRM C[C@H]1CO[C@@H](c2ccccc2Cl)CN1Cc1occc1C(=O)[O-] ZINC000580084205 1018621237 /nfs/dbraw/zinc/62/12/37/1018621237.db2.gz NHFXKYXNTUOBLB-XHDPSFHLSA-N -1 0 335.787 3.593 20 0 EHADRM O=C(NCc1nc(C2CC2)cs1)c1cccc(C(F)(F)F)c1[O-] ZINC000580092075 1018633833 /nfs/dbraw/zinc/63/38/33/1018633833.db2.gz UXZJIURBXBWWEX-UHFFFAOYSA-N -1 0 342.342 3.675 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000571417570 1018923248 /nfs/dbraw/zinc/92/32/48/1018923248.db2.gz RSESWJAZOFIDRI-QRWLVFNGSA-N -1 0 348.406 3.618 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000237063944 1018930148 /nfs/dbraw/zinc/93/01/48/1018930148.db2.gz AUOMAHZQQZIJCY-LLVKDONJSA-N -1 0 335.787 3.925 20 0 EHADRM C[C@H](C(=O)[O-])N(C)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000404253369 1018932403 /nfs/dbraw/zinc/93/24/03/1018932403.db2.gz NMKURXKGXFMIBV-RXMQYKEDSA-N -1 0 325.579 3.584 20 0 EHADRM Cc1c2ccccc2nc(N(C)C[C@H](C)c2nccs2)c1C(=O)[O-] ZINC000580316170 1019011106 /nfs/dbraw/zinc/01/11/06/1019011106.db2.gz XPILNOHNJCWZIJ-NSHDSACASA-N -1 0 341.436 3.938 20 0 EHADRM Cc1c(S(=O)(=O)[N-]c2ncc(C(C)C)s2)c2ccccc2n1C ZINC000340635731 1019035998 /nfs/dbraw/zinc/03/59/98/1019035998.db2.gz GIEYDCAAJCNCNF-UHFFFAOYSA-N -1 0 349.481 3.867 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)C(C)(C)C)cc2)c(C)o1 ZINC000345095743 1019084189 /nfs/dbraw/zinc/08/41/89/1019084189.db2.gz ACEYFZUGSBLPIV-UHFFFAOYSA-N -1 0 335.425 3.926 20 0 EHADRM CC(C)(C)[C@H]([N-]S(=O)(=O)/C=C\c1ccc(F)cc1)C(F)(F)F ZINC000758427629 1019192835 /nfs/dbraw/zinc/19/28/35/1019192835.db2.gz PAUCPZWNPNDFON-LAUAKBEESA-N -1 0 339.354 3.693 20 0 EHADRM O=C(OCc1nc(-c2ccsc2)no1)c1ccc([O-])c(Cl)c1 ZINC000729238089 1019243821 /nfs/dbraw/zinc/24/38/21/1019243821.db2.gz VUKAWMLYDRKSBT-UHFFFAOYSA-N -1 0 336.756 3.514 20 0 EHADRM Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)c1ccc([O-])c(Cl)c1 ZINC000729238015 1019244183 /nfs/dbraw/zinc/24/41/83/1019244183.db2.gz QVPUBMMUMHWRRS-LBPRGKRZSA-N -1 0 347.798 3.846 20 0 EHADRM COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1cc(O)ccc1Cl ZINC000340683668 1019278799 /nfs/dbraw/zinc/27/87/99/1019278799.db2.gz OYBQKJAPJMUQBF-SJLPKXTDSA-N -1 0 331.799 3.514 20 0 EHADRM COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1cc(O)ccc1Cl ZINC000340683670 1019279577 /nfs/dbraw/zinc/27/95/77/1019279577.db2.gz OYBQKJAPJMUQBF-WMZOPIPTSA-N -1 0 331.799 3.514 20 0 EHADRM O=C([O-])C1(NCc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000340685172 1019302930 /nfs/dbraw/zinc/30/29/30/1019302930.db2.gz VRAQQOBAHMSNLY-UHFFFAOYSA-N -1 0 325.286 3.672 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2-n2cccn2)c1 ZINC000471574316 1019327520 /nfs/dbraw/zinc/32/75/20/1019327520.db2.gz MYQVLCWJYQWDEJ-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM Cc1nc(C)c(CN[C@]2(C(=O)[O-])CCC(C)(C)c3ccccc32)s1 ZINC000340692069 1019386725 /nfs/dbraw/zinc/38/67/25/1019386725.db2.gz RDSDHNBFVQXSNO-LJQANCHMSA-N -1 0 344.480 3.901 20 0 EHADRM CCc1cc(C(=O)N(CC)CCC(=O)[O-])sc1-c1ccccc1 ZINC000656233776 1019480695 /nfs/dbraw/zinc/48/06/95/1019480695.db2.gz KAKFPPNNECGJJM-UHFFFAOYSA-N -1 0 331.437 3.914 20 0 EHADRM COc1cc(NC(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)ccc1C(=O)[O-] ZINC000327711179 1019490765 /nfs/dbraw/zinc/49/07/65/1019490765.db2.gz BUIUDLWQZGYWBF-NHYWBVRUSA-N -1 0 343.379 3.681 20 0 EHADRM CCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CC[C@@H]1C(=O)[O-] ZINC000261964764 1019503710 /nfs/dbraw/zinc/50/37/10/1019503710.db2.gz AXQUCOBTTPRVMU-QWRGUYRKSA-N -1 0 345.317 3.544 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)NCc3cccs3)n2)cc1 ZINC000525503883 1019508836 /nfs/dbraw/zinc/50/88/36/1019508836.db2.gz JDYZKYHQPAUIOL-UHFFFAOYSA-N -1 0 341.436 3.693 20 0 EHADRM COc1ccc2cc(C(=O)Nc3cc(F)cc(Cl)c3[O-])[nH]c2c1 ZINC000548106885 1019542787 /nfs/dbraw/zinc/54/27/87/1019542787.db2.gz OKJPAQHJOXEJOC-UHFFFAOYSA-N -1 0 334.734 3.927 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl)c1cccs1 ZINC000237958105 1032838345 /nfs/dbraw/zinc/83/83/45/1032838345.db2.gz HGQPSTYCDWXMGQ-BZPMIXESSA-N -1 0 349.839 3.837 20 0 EHADRM C[C@H](CNC(=O)[C@@H](Sc1ccccc1)c1ccccc1)CC(=O)[O-] ZINC000262155279 1019550951 /nfs/dbraw/zinc/55/09/51/1019550951.db2.gz MHEXGGMTHJFHIQ-KSSFIOAISA-N -1 0 343.448 3.747 20 0 EHADRM CC[C@@H]1CCC[C@H](NC(=O)N=c2[n-]nc(-c3ccsc3)s2)C1 ZINC000607201582 1019568086 /nfs/dbraw/zinc/56/80/86/1019568086.db2.gz PWKQISMEBMRDBX-PWSUYJOCSA-N -1 0 336.486 3.779 20 0 EHADRM Cc1c2ccccc2oc1[C@H](NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])C(C)C ZINC000262238085 1019569503 /nfs/dbraw/zinc/56/95/03/1019569503.db2.gz VYTULPVDNHIYJA-IIAWOOMASA-N -1 0 329.396 3.665 20 0 EHADRM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1ccc(Cl)nc1 ZINC000760311599 1032843969 /nfs/dbraw/zinc/84/39/69/1032843969.db2.gz SATDSQUTSQFMPK-UHFFFAOYSA-N -1 0 340.763 3.730 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@H]1CCOc2ccccc21 ZINC000262531387 1019658732 /nfs/dbraw/zinc/65/87/32/1019658732.db2.gz POYDGFXRWVKLKY-AWEZNQCLSA-N -1 0 325.364 3.506 20 0 EHADRM C[C@@H]1CC[C@@]2(CCN(C(=O)N=c3[n-]nc(-c4ccccc4)s3)C2)C1 ZINC000513441545 1019680475 /nfs/dbraw/zinc/68/04/75/1019680475.db2.gz BSWVQQSHMDMGEF-FZKQIMNGSA-N -1 0 342.468 3.671 20 0 EHADRM COc1cc(CN=c2[n-]nc(-c3ccccc3C)o2)ccc1SC ZINC000580607788 1019732968 /nfs/dbraw/zinc/73/29/68/1019732968.db2.gz IVHGZYLJWUZMIT-UHFFFAOYSA-N -1 0 341.436 3.810 20 0 EHADRM Cc1sc(C(=O)N2CCC[C@@H]2CC(=O)[O-])cc1-c1ccc(F)cc1 ZINC000262953965 1019777214 /nfs/dbraw/zinc/77/72/14/1019777214.db2.gz NCGRNVWXHOHFAC-CQSZACIVSA-N -1 0 347.411 3.942 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000262967631 1019778859 /nfs/dbraw/zinc/77/88/59/1019778859.db2.gz MLXIWBPTWGMBDM-CABZTGNLSA-N -1 0 335.400 3.532 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000263005167 1019787044 /nfs/dbraw/zinc/78/70/44/1019787044.db2.gz VVCPZWPDEFHHEE-HNNXBMFYSA-N -1 0 342.395 3.510 20 0 EHADRM CC(C)c1ccc(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1Cl ZINC000263116601 1019820028 /nfs/dbraw/zinc/82/00/28/1019820028.db2.gz KETAVYOQLIKZGE-AWEZNQCLSA-N -1 0 335.831 3.790 20 0 EHADRM Cc1cc(=NC(=O)CCCSc2ccc(Cl)cc2)[n-]nc1C ZINC000580669401 1019823375 /nfs/dbraw/zinc/82/33/75/1019823375.db2.gz GAOHLAHQFZOGFF-UHFFFAOYSA-N -1 0 335.860 3.680 20 0 EHADRM Cc1ccc(-c2n[n-]c(=NC(=O)c3ccc(F)cc3C)s2)c(C)c1 ZINC000433979359 1019838255 /nfs/dbraw/zinc/83/82/55/1019838255.db2.gz PKVCCIQYHJHVDI-UHFFFAOYSA-N -1 0 341.411 3.944 20 0 EHADRM CC(C)(O)[C@H]1CCCN1C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000092929735 1032857034 /nfs/dbraw/zinc/85/70/34/1032857034.db2.gz KUAWPTVRHJXJEE-OAHLLOKOSA-N -1 0 333.815 3.574 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)CCCCC(=O)[O-] ZINC000263255974 1019852543 /nfs/dbraw/zinc/85/25/43/1019852543.db2.gz FOYXENCBHKLQKA-QWHCGFSZSA-N -1 0 325.836 3.935 20 0 EHADRM CN(C[C@@H]1CC=CCC1)C(=O)N=c1[n-]nc(/C=C\c2ccco2)s1 ZINC000345108749 1019952900 /nfs/dbraw/zinc/95/29/00/1019952900.db2.gz LTZJSUZZPCZUMG-ASCRHOAZSA-N -1 0 344.440 3.543 20 0 EHADRM Cc1nc(C)c(S(=O)(=O)[N-]c2nc(CC(C)(C)C)cs2)s1 ZINC000345213378 1020067707 /nfs/dbraw/zinc/06/77/07/1020067707.db2.gz ZLJVNYWMHUSFCW-UHFFFAOYSA-N -1 0 345.515 3.606 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)N[C@@H](C)c1c(F)cccc1Cl)C1CC1 ZINC000580826615 1020099448 /nfs/dbraw/zinc/09/94/48/1020099448.db2.gz LGNBPGOYJFXCSS-ZANVPECISA-N -1 0 342.798 3.577 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)c1sc2cc(F)ccc2c1Cl ZINC000070311396 1020111119 /nfs/dbraw/zinc/11/11/19/1020111119.db2.gz FKMKWHQHGIFEIX-SSDOTTSWSA-N -1 0 329.780 3.677 20 0 EHADRM CC(C)n1nc(-c2ccco2)cc1NC(=O)c1c([O-])cc(F)cc1F ZINC000684096709 1020154821 /nfs/dbraw/zinc/15/48/21/1020154821.db2.gz MZCXLMCBJKLKNO-UHFFFAOYSA-N -1 0 347.321 3.960 20 0 EHADRM C[C@@H](NC(=O)N([C@@H](C)C(=O)[O-])C1CC1)c1cccc(Cl)c1Cl ZINC000580871195 1020163398 /nfs/dbraw/zinc/16/33/98/1020163398.db2.gz SPCGMFBHSZNHSA-BDAKNGLRSA-N -1 0 345.226 3.702 20 0 EHADRM CCSc1ccc(Cl)cc1[N-]S(=O)(=O)CC(C)(C)OC ZINC000414381208 1020271120 /nfs/dbraw/zinc/27/11/20/1020271120.db2.gz MHTWOKPTAMGKEM-UHFFFAOYSA-N -1 0 337.894 3.619 20 0 EHADRM C[C@H](Cc1ccsc1)NC(=O)N(CC(=O)[O-])[C@H](C)c1ccccc1 ZINC000581049665 1020382941 /nfs/dbraw/zinc/38/29/41/1020382941.db2.gz KQCDBPGXSZFAEL-ZIAGYGMSSA-N -1 0 346.452 3.537 20 0 EHADRM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc3[n-]c(=S)oc3c2)c1 ZINC000160743868 1020385909 /nfs/dbraw/zinc/38/59/09/1020385909.db2.gz KOQAQODCBRXHID-UONOGXRCSA-N -1 0 340.404 3.867 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cnc(-c2ccccn2)s1 ZINC000345615757 1020387724 /nfs/dbraw/zinc/38/77/24/1020387724.db2.gz CERQHWGNNMXVOV-UHFFFAOYSA-N -1 0 349.774 3.956 20 0 EHADRM C[C@@H](CN(C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000262031481 1020433190 /nfs/dbraw/zinc/43/31/90/1020433190.db2.gz YUYGKWWCDGCVRJ-ZETCQYMHSA-N -1 0 338.713 3.543 20 0 EHADRM O=C([O-])[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)C1CCCCC1 ZINC000345812160 1020538514 /nfs/dbraw/zinc/53/85/14/1020538514.db2.gz SZVBYAKVDHSRIG-CQSZACIVSA-N -1 0 344.238 3.686 20 0 EHADRM CC1=C(C(=O)N[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])CCC1 ZINC000345847453 1020553591 /nfs/dbraw/zinc/55/35/91/1020553591.db2.gz USBNUMVAELWUND-CQSZACIVSA-N -1 0 342.222 3.606 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N=c1nc(Cc2ccccc2)[n-]s1 ZINC000430550418 1020647184 /nfs/dbraw/zinc/64/71/84/1020647184.db2.gz ONLKERQGQMPASM-KKXDTOCCSA-N -1 0 349.459 3.539 20 0 EHADRM CC(C)n1nccc1/C=C/c1cc(C(=O)[O-])c2cnn(C(C)C)c2n1 ZINC000558453260 1020739240 /nfs/dbraw/zinc/73/92/40/1020739240.db2.gz CGIZHHWVKRDISU-AATRIKPKSA-N -1 0 339.399 3.658 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)Nc1ccc(OC2CCCC2)cc1)C(=O)[O-] ZINC000581388749 1020771663 /nfs/dbraw/zinc/77/16/63/1020771663.db2.gz WVUBXOMEOQEKEW-BLLLJJGKSA-N -1 0 334.416 3.629 20 0 EHADRM Cc1[nH]c2ccc(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)cc2c1C ZINC000326063057 1020797358 /nfs/dbraw/zinc/79/73/58/1020797358.db2.gz FJFVVEBFBZRBFO-UHFFFAOYSA-N -1 0 326.327 3.874 20 0 EHADRM CCOC(=O)c1cnn(C(C)(C)C)c1Nc1ccc(C(=O)[O-])cc1C ZINC001211620700 1032935584 /nfs/dbraw/zinc/93/55/84/1032935584.db2.gz BQSPQFFWOPIUTJ-UHFFFAOYSA-N -1 0 345.399 3.565 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)NC1CCC2(CC2(F)F)CC1)C(=O)[O-] ZINC000656599246 1020983579 /nfs/dbraw/zinc/98/35/79/1020983579.db2.gz NVOHATIRJQTINL-BGMSHATGSA-N -1 0 346.418 3.533 20 0 EHADRM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)c1 ZINC000656626627 1021060948 /nfs/dbraw/zinc/06/09/48/1021060948.db2.gz RYNGHWUIJSRSDT-NSHDSACASA-N -1 0 339.388 3.509 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCOC3)c(Cl)c1 ZINC000656635700 1021068501 /nfs/dbraw/zinc/06/85/01/1021068501.db2.gz CJRLPJBUYJJMSS-UHFFFAOYSA-N -1 0 337.828 3.522 20 0 EHADRM CC(C)[C@H](SCc1ccccc1)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000341203181 1021092144 /nfs/dbraw/zinc/09/21/44/1021092144.db2.gz HMTOSMPAGYKNJP-SFHVURJKSA-N -1 0 341.480 3.672 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2ccc(C(=O)[O-])cc2)C(F)(F)F)c1 ZINC000581580635 1021112127 /nfs/dbraw/zinc/11/21/27/1021112127.db2.gz KNQXETPNTXCTTD-AWEZNQCLSA-N -1 0 337.297 3.727 20 0 EHADRM Cc1ccc([C@H]2CCN(C(=O)c3c([O-])cc(F)cc3F)C2)c(C)c1 ZINC000684337968 1021156673 /nfs/dbraw/zinc/15/66/73/1021156673.db2.gz KUONUUTYLNBETD-ZDUSSCGKSA-N -1 0 331.362 3.917 20 0 EHADRM COc1cccc(/C=C\c2cc(C(=O)[O-])c3cnn(C(C)C)c3n2)c1 ZINC000518418044 1021169456 /nfs/dbraw/zinc/16/94/56/1021169456.db2.gz SKRMOLFBIDQANE-FPLPWBNLSA-N -1 0 337.379 3.889 20 0 EHADRM Cc1ccc(C(=O)N=c2[n-]nc(Cc3ccc(Cl)cc3)s2)s1 ZINC000426286432 1021174117 /nfs/dbraw/zinc/17/41/17/1021174117.db2.gz NZDIXNXKWJAXDO-UHFFFAOYSA-N -1 0 349.868 3.826 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccn(C)c2C2CCC2)c1 ZINC000436767325 1021217984 /nfs/dbraw/zinc/21/79/84/1021217984.db2.gz UNFGVZPHHBIATQ-UHFFFAOYSA-N -1 0 326.396 3.843 20 0 EHADRM O=C(c1ccc(F)cc1[O-])N1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000436781309 1021224470 /nfs/dbraw/zinc/22/44/70/1021224470.db2.gz BQKIKSCPHRSSCS-UHFFFAOYSA-N -1 0 342.345 3.740 20 0 EHADRM Cc1ccc(CNC(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)s1 ZINC000581644377 1021249658 /nfs/dbraw/zinc/24/96/58/1021249658.db2.gz DVCKMILXRUGYKN-HOTGVXAUSA-N -1 0 344.436 3.556 20 0 EHADRM CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(F)c(F)c2[O-])c1 ZINC001625988270 1032967875 /nfs/dbraw/zinc/96/78/75/1032967875.db2.gz SPENDAOUEPHPSR-UHFFFAOYSA-N -1 0 340.713 3.535 20 0 EHADRM O=C(c1ccc(F)cc1[O-])N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000436821240 1021270955 /nfs/dbraw/zinc/27/09/55/1021270955.db2.gz KFWRZIDGNBHVEA-UHFFFAOYSA-N -1 0 344.773 3.795 20 0 EHADRM C[C@@]1(C2CC2)CN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CCO1 ZINC000656757696 1021279551 /nfs/dbraw/zinc/27/95/51/1021279551.db2.gz RBQKSCYHWTYPRS-HOCLYGCPSA-N -1 0 344.238 3.620 20 0 EHADRM CCc1ccc([C@@H]2CCN(C(=O)c3cc(F)c([O-])c(F)c3)C2)cc1 ZINC000436855035 1021280061 /nfs/dbraw/zinc/28/00/61/1021280061.db2.gz VZIUZTNIDXJZQE-CQSZACIVSA-N -1 0 331.362 3.863 20 0 EHADRM CC[C@H]1CCCN(C(=O)c2cc(F)cc(Br)c2[O-])C1 ZINC000436850014 1021294359 /nfs/dbraw/zinc/29/43/59/1021294359.db2.gz XJOSVLWLZLALDC-VIFPVBQESA-N -1 0 330.197 3.556 20 0 EHADRM COc1cccc(C2(NC(=O)c3cc(F)c([O-])c(Cl)c3)CC2)c1 ZINC000436862631 1021300906 /nfs/dbraw/zinc/30/09/06/1021300906.db2.gz FOFWDBCMUWSEQC-UHFFFAOYSA-N -1 0 335.762 3.612 20 0 EHADRM CC[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1ccc(OC)c(OC)c1 ZINC000436865962 1021303697 /nfs/dbraw/zinc/30/36/97/1021303697.db2.gz VNSJCAMWVYXDBT-AWEZNQCLSA-N -1 0 349.814 3.944 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)C2(c3cccc(Cl)c3)CC2)c1 ZINC000436871496 1021313198 /nfs/dbraw/zinc/31/31/98/1021313198.db2.gz NNMVHHLYLUFULF-UHFFFAOYSA-N -1 0 329.783 3.919 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2ccc(Br)cc2)c1 ZINC000436873448 1021316633 /nfs/dbraw/zinc/31/66/33/1021316633.db2.gz WNZWHKJTYIIUHK-UHFFFAOYSA-N -1 0 334.169 3.610 20 0 EHADRM Cc1ccc(C[C@@H](Sc2nnc(C(C)(C)C)s2)C(=O)[O-])cc1 ZINC000656782250 1021320168 /nfs/dbraw/zinc/32/01/68/1021320168.db2.gz QWOOEXLPQPRQAV-GFCCVEGCSA-N -1 0 336.482 3.932 20 0 EHADRM C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000436894702 1021323830 /nfs/dbraw/zinc/32/38/30/1021323830.db2.gz RQCBPNZEDKHYIM-NSHDSACASA-N -1 0 347.798 3.525 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)Cc2cccc(Br)c2)c1 ZINC000436877353 1021327783 /nfs/dbraw/zinc/32/77/83/1021327783.db2.gz OHQDJWYCHTXUPY-UHFFFAOYSA-N -1 0 348.196 3.539 20 0 EHADRM Cc1ccc2ncc(-c3noc(-c4ccc([O-])c(Cl)c4)n3)n2c1 ZINC000436881079 1021329516 /nfs/dbraw/zinc/32/95/16/1021329516.db2.gz MKLUJWGWTQDGIG-UHFFFAOYSA-N -1 0 326.743 3.719 20 0 EHADRM COCC[C@@H](NC(=O)c1cc(F)cc(Cl)c1[O-])c1ccc(C)o1 ZINC000436909319 1021353087 /nfs/dbraw/zinc/35/30/87/1021353087.db2.gz MIRKBPGFNNQGAA-CYBMUJFWSA-N -1 0 341.766 3.594 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCO[C@H](C2CCCCC2)C1 ZINC000436909412 1021357319 /nfs/dbraw/zinc/35/73/19/1021357319.db2.gz MUTOUQZHIOMHQP-HNNXBMFYSA-N -1 0 341.810 3.606 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000436898658 1021363487 /nfs/dbraw/zinc/36/34/87/1021363487.db2.gz BBXUHURFPHIGDH-UHFFFAOYSA-N -1 0 325.771 3.995 20 0 EHADRM C[C@@H](NC(=O)c1ccc(F)cc1[O-])c1nc2ccccc2n1C(F)F ZINC000436925242 1021383312 /nfs/dbraw/zinc/38/33/12/1021383312.db2.gz ICZJLZQBCOAMND-SECBINFHSA-N -1 0 349.312 3.767 20 0 EHADRM CC1(C)CN(C(=O)c2ccc([O-])c(Cl)c2)Cc2ccccc2O1 ZINC000436936835 1021398195 /nfs/dbraw/zinc/39/81/95/1021398195.db2.gz ZPWOPQWMBLGPOK-UHFFFAOYSA-N -1 0 331.799 3.859 20 0 EHADRM CO[C@H](c1noc(-c2ccc(Cl)cc2[O-])n1)c1ccc(F)cc1 ZINC000436955106 1021418589 /nfs/dbraw/zinc/41/85/89/1021418589.db2.gz YUHCXSVKKZOPHP-AWEZNQCLSA-N -1 0 334.734 3.971 20 0 EHADRM O=C(Nc1ncc(Cc2ccccc2)s1)c1c([O-])cccc1F ZINC000436972349 1021425190 /nfs/dbraw/zinc/42/51/90/1021425190.db2.gz NYLLHOPPWVSISI-UHFFFAOYSA-N -1 0 328.368 3.831 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2ccc(F)c(Cl)c2F)c1 ZINC000436993168 1021448255 /nfs/dbraw/zinc/44/82/55/1021448255.db2.gz ZAXBTDLDVBRMHM-UHFFFAOYSA-N -1 0 325.698 3.779 20 0 EHADRM O=C(Nc1nccn1Cc1ccccc1Cl)c1c([O-])cccc1F ZINC000437006886 1021463085 /nfs/dbraw/zinc/46/30/85/1021463085.db2.gz YSBHIFQCZIPZFF-UHFFFAOYSA-N -1 0 345.761 3.682 20 0 EHADRM Cc1cnn(-c2ccc(C)cc2NC(=O)c2c([O-])cccc2F)c1 ZINC000437007219 1021463284 /nfs/dbraw/zinc/46/32/84/1021463284.db2.gz ZPCZIDCHDCYIBY-UHFFFAOYSA-N -1 0 325.343 3.586 20 0 EHADRM CCCCCOc1ccc(C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cc1 ZINC000341343623 1021473736 /nfs/dbraw/zinc/47/37/36/1021473736.db2.gz AYHQPFUHRHIKJV-OXJNMPFZSA-N -1 0 345.439 3.583 20 0 EHADRM COC(=O)c1cc(/C=C2\CCc3c2nc2ccccc2c3C(=O)[O-])c[nH]1 ZINC000439510526 1021497756 /nfs/dbraw/zinc/49/77/56/1021497756.db2.gz GUYPLEXWLXGACC-XYOKQWHBSA-N -1 0 348.358 3.535 20 0 EHADRM CCCc1nc(=NC(=O)c2c[nH]cc2-c2ccc(C)s2)s[n-]1 ZINC000439564392 1021561396 /nfs/dbraw/zinc/56/13/96/1021561396.db2.gz PZCNDDBUUKPMAN-UHFFFAOYSA-N -1 0 332.454 3.530 20 0 EHADRM O=C(C=C(C1CC1)C1CC1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000048619139 1021602451 /nfs/dbraw/zinc/60/24/51/1021602451.db2.gz IXKSKDDJJVABJY-UHFFFAOYSA-N -1 0 331.846 3.793 20 0 EHADRM CCCOc1cc(OC)ccc1C(=O)Nc1cc(C(C)=O)ccc1[O-] ZINC000476156335 1032995317 /nfs/dbraw/zinc/99/53/17/1032995317.db2.gz QCKMWXIQCJINCU-UHFFFAOYSA-N -1 0 343.379 3.645 20 0 EHADRM O=C([O-])c1coc(N2CCC(c3ccccc3C(F)(F)F)CC2)n1 ZINC000519704549 1021616968 /nfs/dbraw/zinc/61/69/68/1021616968.db2.gz OWAITAINGDIQGN-UHFFFAOYSA-N -1 0 340.301 3.776 20 0 EHADRM CCCc1nnc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)s1 ZINC000437164643 1021620323 /nfs/dbraw/zinc/62/03/23/1021620323.db2.gz JIZUZVYYXSFXTE-UHFFFAOYSA-N -1 0 339.486 3.525 20 0 EHADRM CCCCc1nnc([N-]S(=O)(=O)c2cccc(Cl)c2C)s1 ZINC000437176683 1021625414 /nfs/dbraw/zinc/62/54/14/1021625414.db2.gz QCEMZDFDXBIYPJ-UHFFFAOYSA-N -1 0 345.877 3.643 20 0 EHADRM CCc1ccc(NC(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])cc1F ZINC000519741605 1021653103 /nfs/dbraw/zinc/65/31/03/1021653103.db2.gz IEFRUEQJOCKEBN-KRWDZBQOSA-N -1 0 342.370 3.604 20 0 EHADRM CCC[C@@H](C)[C@H]1CCCN1C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000439720691 1021672178 /nfs/dbraw/zinc/67/21/78/1021672178.db2.gz RIQALRNQTHAAQF-CXAGYDPISA-N -1 0 347.455 3.808 20 0 EHADRM C/C=C/C[C@@H](NC(=O)Nc1ccc(C)c(C(F)(F)F)c1)C(=O)[O-] ZINC000517831585 1021743045 /nfs/dbraw/zinc/74/30/45/1021743045.db2.gz YYKYTVLTMLVKFX-AAOUONPWSA-N -1 0 330.306 3.555 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N(Cc2ccccc2)CC(C)C)s1 ZINC000519905477 1021771581 /nfs/dbraw/zinc/77/15/81/1021771581.db2.gz NFMQDCJCKHHQJJ-UHFFFAOYSA-N -1 0 346.500 3.993 20 0 EHADRM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000909415125 1021784729 /nfs/dbraw/zinc/78/47/29/1021784729.db2.gz SBBROBIWIVBHNJ-DUUIKLAESA-N -1 0 345.414 3.565 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000261595009 1021784520 /nfs/dbraw/zinc/78/45/20/1021784520.db2.gz CLBDKODJQWDWIS-HNNXBMFYSA-N -1 0 330.211 3.566 20 0 EHADRM CC12C[C@H]3C[C@@H](C1)CC(C(=O)N1CCC(CCC(=O)[O-])CC1)(C3)C2 ZINC000326351714 1021864077 /nfs/dbraw/zinc/86/40/77/1021864077.db2.gz OWXZXEUKLUMFQG-BANKROOTSA-N -1 0 333.472 3.696 20 0 EHADRM CCOC1CC2(C1)CCN(c1nc3ccccc3c(C)c1C(=O)[O-])C2 ZINC000516930002 1021866573 /nfs/dbraw/zinc/86/65/73/1021866573.db2.gz ZPIKSCOMQCGMQW-UHFFFAOYSA-N -1 0 340.423 3.637 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2CCC[C@@H]2c2cccc(C)c2C)s1 ZINC000437557261 1021941605 /nfs/dbraw/zinc/94/16/05/1021941605.db2.gz KBCZHXXUDZRBLS-OAHLLOKOSA-N -1 0 344.484 3.898 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccc(F)cc1)C1C2CC3CC(C2)CC1C3 ZINC000048453927 1021998733 /nfs/dbraw/zinc/99/87/33/1021998733.db2.gz GUMQCUCINITRAL-UHFFFAOYSA-N -1 0 337.416 3.543 20 0 EHADRM CC(C)c1cnc(NC(=O)c2nn(-c3ccccc3F)cc2[O-])s1 ZINC000440210419 1022014972 /nfs/dbraw/zinc/01/49/72/1022014972.db2.gz DONMHINBENUOBW-UHFFFAOYSA-N -1 0 346.387 3.549 20 0 EHADRM CC(C)(CC(=O)N=c1nc(-c2ccsc2)[n-]s1)c1ccccc1 ZINC000520223790 1022038834 /nfs/dbraw/zinc/03/88/34/1022038834.db2.gz VDVMULLAZKVSAW-UHFFFAOYSA-N -1 0 343.477 3.995 20 0 EHADRM O=S(=O)([N-]c1cccc(OCc2ccc(F)cc2)c1)c1ccco1 ZINC000437663526 1022039618 /nfs/dbraw/zinc/03/96/18/1022039618.db2.gz SCQZZVCECHGWFC-UHFFFAOYSA-N -1 0 347.367 3.799 20 0 EHADRM CCCCOc1cccc(CNC(=O)c2cc(F)cc(F)c2[O-])c1 ZINC001625929340 1022136868 /nfs/dbraw/zinc/13/68/68/1022136868.db2.gz MJIXBMMZBJAOML-UHFFFAOYSA-N -1 0 335.350 3.779 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N(C)CCC2CC2)s1)c1ccccc1 ZINC000437800247 1022153236 /nfs/dbraw/zinc/15/32/36/1022153236.db2.gz NGKFAIJDARBBTG-OAHLLOKOSA-N -1 0 344.484 3.766 20 0 EHADRM Cc1ccc(SCC(=O)N=c2ccc(-c3ccccc3)n[n-]2)cc1 ZINC000440401395 1022166714 /nfs/dbraw/zinc/16/67/14/1022166714.db2.gz DSDXETVIGMYQEY-UHFFFAOYSA-N -1 0 335.432 3.605 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)c1ccc2ccccc2c1 ZINC000440408165 1022172518 /nfs/dbraw/zinc/17/25/18/1022172518.db2.gz VJRANRROVXUTTK-UHFFFAOYSA-N -1 0 325.371 3.971 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])C2CCCCC2)c(C)n1C1CC1 ZINC000345976558 1022240985 /nfs/dbraw/zinc/24/09/85/1022240985.db2.gz JVGGIZDCDIBOTP-KRWDZBQOSA-N -1 0 332.444 3.593 20 0 EHADRM CCc1nc(C(C)C)ccc1CN(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000517380922 1022281658 /nfs/dbraw/zinc/28/16/58/1022281658.db2.gz GCWHKKNOTGFJBR-UHFFFAOYSA-N -1 0 330.428 3.999 20 0 EHADRM C[C@@H](CCNC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000581922129 1022399786 /nfs/dbraw/zinc/39/97/86/1022399786.db2.gz LHWMNSAENLXENW-YJBOKZPZSA-N -1 0 340.423 3.648 20 0 EHADRM C[C@@H](CCNC(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000581922127 1022400604 /nfs/dbraw/zinc/40/06/04/1022400604.db2.gz LHWMNSAENLXENW-MAUKXSAKSA-N -1 0 340.423 3.648 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(CCC(=O)[O-])c2)nc2ccccc12 ZINC000473962436 1022420250 /nfs/dbraw/zinc/42/02/50/1022420250.db2.gz WDBZJPZZDZSFLV-UHFFFAOYSA-N -1 0 334.375 3.813 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(Cl)s2)cc1 ZINC000188449411 1022432876 /nfs/dbraw/zinc/43/28/76/1022432876.db2.gz KFPWKQCJVQHFKA-UHFFFAOYSA-N -1 0 329.830 3.713 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(Cl)c(Br)c1 ZINC000094667732 1033051392 /nfs/dbraw/zinc/05/13/92/1033051392.db2.gz SXARCTWNLVEHFP-ZETCQYMHSA-N -1 0 334.597 3.542 20 0 EHADRM CCc1[nH]nc([N-]S(=O)(=O)c2cc(C(C)C)ccc2Cl)c1C ZINC000330500718 1022605317 /nfs/dbraw/zinc/60/53/17/1022605317.db2.gz QSPRFQGKTNAKLA-UHFFFAOYSA-N -1 0 341.864 3.858 20 0 EHADRM CCn1nc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1C1CC1 ZINC000425995937 1022633879 /nfs/dbraw/zinc/63/38/79/1022633879.db2.gz NRNCLMRIVHWZJF-UHFFFAOYSA-N -1 0 347.484 3.815 20 0 EHADRM CC(F)(F)c1ccccc1NC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000669506901 1033069712 /nfs/dbraw/zinc/06/97/12/1033069712.db2.gz UWWSZTCRQXOWDX-LLVKDONJSA-N -1 0 326.343 3.517 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2nc3ccccc3[nH]2)s1 ZINC000536308840 1022650346 /nfs/dbraw/zinc/65/03/46/1022650346.db2.gz RVDQREKQGCZKMI-UHFFFAOYSA-N -1 0 335.454 3.723 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccccc2OCC2CC2)c1 ZINC000303923526 1022650850 /nfs/dbraw/zinc/65/08/50/1022650850.db2.gz WDLPSSSYEIPHMP-UHFFFAOYSA-N -1 0 335.400 3.724 20 0 EHADRM Cc1nc(CC(C)C)sc1C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000330710067 1022656254 /nfs/dbraw/zinc/65/62/54/1022656254.db2.gz OTYAHKVJNHQHLC-CYBMUJFWSA-N -1 0 338.473 3.510 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)Nc2ccccc2C)s[n-]1 ZINC000473839580 1022925674 /nfs/dbraw/zinc/92/56/74/1022925674.db2.gz LFDZWKFGGQYSRG-UHFFFAOYSA-N -1 0 330.438 3.949 20 0 EHADRM N#CC(=C([O-])C=Cc1ccc2c(c1)OCO2)c1nc2ccccc2s1 ZINC000046441849 1033092885 /nfs/dbraw/zinc/09/28/85/1033092885.db2.gz XAGODCPPIYHFHV-VGVVRCBHSA-N -1 0 348.383 3.915 20 0 EHADRM CCOCc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000438717138 1022936724 /nfs/dbraw/zinc/93/67/24/1022936724.db2.gz AJKKJHGEMFBHKT-UHFFFAOYSA-N -1 0 343.807 3.816 20 0 EHADRM O=C([O-])c1ccc2nc(/C=C\c3ccc(-n4cccn4)cc3)oc2c1 ZINC000550007538 1023003632 /nfs/dbraw/zinc/00/36/32/1023003632.db2.gz RIWUDRFRPXWJJS-WTKPLQERSA-N -1 0 331.331 3.882 20 0 EHADRM Cc1cc2cc(CN[C@@H](C(=O)[O-])c3ccc(O)cc3)oc2cc1C ZINC000426763777 1023016939 /nfs/dbraw/zinc/01/69/39/1023016939.db2.gz DIDVRBHAROROCK-GOSISDBHSA-N -1 0 325.364 3.671 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(C)cc3cccnc32)c1 ZINC000507000922 1023073081 /nfs/dbraw/zinc/07/30/81/1023073081.db2.gz FXKRKUGSSGOBTH-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@H](c2ccc(F)cc2F)C(C)C)s[n-]1 ZINC000509580619 1023079704 /nfs/dbraw/zinc/07/97/04/1023079704.db2.gz YTXLKRRQKLQLNX-ZANVPECISA-N -1 0 327.400 3.755 20 0 EHADRM CC[C@H](C)c1ccc([C@@H](NC(=O)N=c2[n-]ncs2)C(C)C)cc1 ZINC000518179831 1023107920 /nfs/dbraw/zinc/10/79/20/1023107920.db2.gz CCCXMDLHPSWAQK-WFASDCNBSA-N -1 0 332.473 3.992 20 0 EHADRM O=C(c1cc(-c2ccccc2)cc(Cl)c1[O-])N1CCC(=O)CC1 ZINC000571665523 1023131576 /nfs/dbraw/zinc/13/15/76/1023131576.db2.gz MWRILOYPZAFHAJ-UHFFFAOYSA-N -1 0 329.783 3.518 20 0 EHADRM CC(C)c1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)no1 ZINC000439021682 1023213166 /nfs/dbraw/zinc/21/31/66/1023213166.db2.gz QGLVKDCQQNAPKJ-UHFFFAOYSA-N -1 0 328.459 3.958 20 0 EHADRM Cc1c(S(=O)(=O)[N-]c2ccc(C(C)C)cc2C(C)C)cnn1C ZINC000427107935 1023220452 /nfs/dbraw/zinc/22/04/52/1023220452.db2.gz MDWIHCOAIPBODN-UHFFFAOYSA-N -1 0 335.473 3.776 20 0 EHADRM Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)c1 ZINC000439046114 1023240445 /nfs/dbraw/zinc/24/04/45/1023240445.db2.gz WBSUFCRSTLRZTF-UHFFFAOYSA-N -1 0 325.455 3.860 20 0 EHADRM CCC1CCN(C(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])CC1 ZINC000439048536 1023241361 /nfs/dbraw/zinc/24/13/61/1023241361.db2.gz DCVOTYBFRSOSFY-UHFFFAOYSA-N -1 0 341.455 3.964 20 0 EHADRM CC(C)Cn1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)cn1 ZINC000439050523 1023243011 /nfs/dbraw/zinc/24/30/11/1023243011.db2.gz NCPVJEIRHXMGCM-UHFFFAOYSA-N -1 0 341.502 3.699 20 0 EHADRM CCCc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(C(C)=O)c2)cc1 ZINC000063234858 1033125621 /nfs/dbraw/zinc/12/56/21/1033125621.db2.gz OGMWIPNEWYXKRN-UHFFFAOYSA-N -1 0 345.420 3.535 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2c3c(nn2C(C)C)CCC3)cc1 ZINC000471941663 1023363403 /nfs/dbraw/zinc/36/34/03/1023363403.db2.gz HACPWDCZDZOKSL-UHFFFAOYSA-N -1 0 347.484 3.706 20 0 EHADRM CN1Cc2c(C(=O)[O-])c3ccccc3nc2/C(=C\c2ccccc2)C1 ZINC000211866293 1033127718 /nfs/dbraw/zinc/12/77/18/1033127718.db2.gz DIWDQGNPFGCAFQ-PTNGSMBKSA-N -1 0 330.387 3.919 20 0 EHADRM CC[C@@](C)([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(F)(F)F ZINC000548476549 1023442884 /nfs/dbraw/zinc/44/28/84/1023442884.db2.gz LOQBXDQFGSCHJL-SNVBAGLBSA-N -1 0 349.296 3.715 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000431214810 1023528486 /nfs/dbraw/zinc/52/84/86/1023528486.db2.gz XMSUNNZAXLZUDC-OWYHZJEWSA-N -1 0 343.467 3.890 20 0 EHADRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cccc(F)c2)c1C1CC1 ZINC000535686259 1023564480 /nfs/dbraw/zinc/56/44/80/1023564480.db2.gz PJGAGHVOHYCKLJ-NSHDSACASA-N -1 0 337.420 3.671 20 0 EHADRM O=C(N[C@@H](c1ccccc1)c1ccncc1)c1c([O-])cc(F)cc1F ZINC000127411963 1023565700 /nfs/dbraw/zinc/56/57/00/1023565700.db2.gz QNRQEERGBJTQOC-SFHVURJKSA-N -1 0 340.329 3.585 20 0 EHADRM CN(C)c1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000598380710 1033154230 /nfs/dbraw/zinc/15/42/30/1033154230.db2.gz RXSGWNSASCKMPI-UHFFFAOYSA-N -1 0 345.251 3.860 20 0 EHADRM O=C([O-])/C=C/c1cnc(/C=C\c2cncc(Br)c2)s1 ZINC000588476318 1023786847 /nfs/dbraw/zinc/78/68/47/1023786847.db2.gz JXASZXCCHDLTRO-HSFFGMMNSA-N -1 0 337.198 3.569 20 0 EHADRM Cc1coc(-c2cc([N-]S(=O)(=O)c3ccccc3F)ccc2C)n1 ZINC000150801139 1023955120 /nfs/dbraw/zinc/95/51/20/1023955120.db2.gz SFFUXJBTUAAMJP-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM O=S(=O)([N-]c1cccc2ccsc21)c1ccc(F)cc1F ZINC000443464456 1023993059 /nfs/dbraw/zinc/99/30/59/1023993059.db2.gz LGTUJKBYRIYUKL-UHFFFAOYSA-N -1 0 325.361 3.980 20 0 EHADRM C[C@@H](N=c1nc(C(C)(C)C)o[n-]1)c1ccc(Br)s1 ZINC000443501694 1024045619 /nfs/dbraw/zinc/04/56/19/1024045619.db2.gz OZZIQAMUHIPMNH-SSDOTTSWSA-N -1 0 330.251 3.786 20 0 EHADRM COc1ccc(C[C@H](C)C(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC000262333417 1024050361 /nfs/dbraw/zinc/05/03/61/1024050361.db2.gz BJWCOZACXAMGTA-AWEZNQCLSA-N -1 0 341.407 3.530 20 0 EHADRM Cc1[n-]n(-c2cc(C)ccc2C)c(=O)c1C(=O)Nc1cccc(C)c1 ZINC000505423243 1024054063 /nfs/dbraw/zinc/05/40/63/1024054063.db2.gz TXMWCTLAMWWOEW-GOSISDBHSA-N -1 0 335.407 3.589 20 0 EHADRM CC(C)c1ccc(OCCC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000236675911 1024059536 /nfs/dbraw/zinc/05/95/36/1024059536.db2.gz KOFLUIWJCMDPOG-INIZCTEOSA-N -1 0 347.455 3.682 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CCC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)o1 ZINC000392242287 1024077867 /nfs/dbraw/zinc/07/78/67/1024077867.db2.gz LNKDAQITNGDSDC-GUYCJALGSA-N -1 0 341.407 3.692 20 0 EHADRM COCCOCc1cccc(-c2ccc3[nH]cc(CC(=O)[O-])c3c2)c1 ZINC000657203445 1024085259 /nfs/dbraw/zinc/08/52/59/1024085259.db2.gz YPHPGGCPDQTMCO-UHFFFAOYSA-N -1 0 339.391 3.625 20 0 EHADRM C[C@H](CC(=O)[O-])n1cc(-c2ccc(OC[C@H]3CCCCO3)cc2)cn1 ZINC000657204149 1024085501 /nfs/dbraw/zinc/08/55/01/1024085501.db2.gz VSJIMMJTRXVMHA-RDTXWAMCSA-N -1 0 344.411 3.534 20 0 EHADRM O=C([O-])CCc1ccc(-c2cc(F)ccc2OC[C@H]2CCOC2)cc1 ZINC000657204218 1024086606 /nfs/dbraw/zinc/08/66/06/1024086606.db2.gz AAIRCOOGYWWXJT-HNNXBMFYSA-N -1 0 344.382 3.925 20 0 EHADRM O=C([O-])CC1(CC(=O)NCc2ccc(Cl)s2)CCCCC1 ZINC000028901059 1024091700 /nfs/dbraw/zinc/09/17/00/1024091700.db2.gz JZXOAIJDEFGBKQ-UHFFFAOYSA-N -1 0 329.849 3.833 20 0 EHADRM O=C([O-])[C@@H](NCc1ccc(CSC(F)F)o1)c1ccc(F)cc1 ZINC000277187304 1024094644 /nfs/dbraw/zinc/09/46/44/1024094644.db2.gz FRIVALPOADQVMI-ZDUSSCGKSA-N -1 0 345.342 3.790 20 0 EHADRM Cc1cc(-c2cccc(OCCC(=O)[O-])c2)ccc1O[C@@H]1CCOC1 ZINC000657204830 1024096866 /nfs/dbraw/zinc/09/68/66/1024096866.db2.gz QCGAEAMWBPYTOW-GOSISDBHSA-N -1 0 342.391 3.683 20 0 EHADRM C[C@@H](OC(C)(C)C)[C@H](NCc1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC000417582137 1024109272 /nfs/dbraw/zinc/10/92/72/1024109272.db2.gz HLZQHXNFBVRLQD-WBMJQRKESA-N -1 0 348.468 3.557 20 0 EHADRM Cc1ccc(C)c(-c2ccc(S(=O)(=O)C(C)(C)C(=O)[O-])cc2)c1 ZINC000657205404 1024113677 /nfs/dbraw/zinc/11/36/77/1024113677.db2.gz XXEPHLJJIDIFRQ-UHFFFAOYSA-N -1 0 332.421 3.607 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N2CCC[C@H](C(C)(C)C)CC2)s1 ZINC000522610689 1024116275 /nfs/dbraw/zinc/11/62/75/1024116275.db2.gz NBXUKWXPXMSOJT-ZDUSSCGKSA-N -1 0 338.521 3.839 20 0 EHADRM Cc1nc(CN[C@]2(C(=O)[O-])C[C@@H](C(C)C)c3ccccc32)cs1 ZINC000417591052 1024118324 /nfs/dbraw/zinc/11/83/24/1024118324.db2.gz RRSAWAJDZXSHDF-MAUKXSAKSA-N -1 0 330.453 3.665 20 0 EHADRM Cc1ccccc1[C@@H]1CCN(C(=O)N=c2nc(C(C)(C)C)[n-]s2)C1 ZINC000522620715 1024122893 /nfs/dbraw/zinc/12/28/93/1024122893.db2.gz QBRSPJKSKXHKNN-CYBMUJFWSA-N -1 0 344.484 3.587 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C1=Cc2cc(Cl)ccc2OC1 ZINC000324108273 1024205901 /nfs/dbraw/zinc/20/59/01/1024205901.db2.gz MXYVRDNCSCQTNX-UHFFFAOYSA-N -1 0 343.766 3.761 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc2cc(Cl)ccc2o1 ZINC000262340080 1024206284 /nfs/dbraw/zinc/20/62/84/1024206284.db2.gz YGSDHBSMXAICOL-HONMWMINSA-N -1 0 347.798 3.944 20 0 EHADRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CCC2 ZINC000434633287 1024213074 /nfs/dbraw/zinc/21/30/74/1024213074.db2.gz GJBFBVOHXMIEIJ-UHFFFAOYSA-N -1 0 331.437 3.602 20 0 EHADRM C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cc(F)ccc1O ZINC000094130399 1024216034 /nfs/dbraw/zinc/21/60/34/1024216034.db2.gz YCOHQZXTBBSWPQ-APPDUMDISA-N -1 0 349.789 3.787 20 0 EHADRM Cc1ncsc1CCSc1n[n-]c(=NC2CCCCC2)s1 ZINC000505448595 1024223992 /nfs/dbraw/zinc/22/39/92/1024223992.db2.gz BYYLCFUTLNHNEU-UHFFFAOYSA-N -1 0 340.543 3.804 20 0 EHADRM Cc1ccccc1S([O-])=CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000108090638 1024235474 /nfs/dbraw/zinc/23/54/74/1024235474.db2.gz ODTBTUJISGKOLR-WHEQGISXSA-N -1 0 335.856 3.633 20 0 EHADRM CC(C)Cn1cc(CNc2ccc(S[C@H](C)C(=O)[O-])cc2)cn1 ZINC000417662406 1024266245 /nfs/dbraw/zinc/26/62/45/1024266245.db2.gz UTVIJKIUTWXFIU-CYBMUJFWSA-N -1 0 333.457 3.716 20 0 EHADRM CC1(C)C[C@H](C(=O)Nc2cc(C(=O)[O-])cs2)c2ccccc2O1 ZINC000909514639 1024268971 /nfs/dbraw/zinc/26/89/71/1024268971.db2.gz FBWAXGVFCVUVMW-LBPRGKRZSA-N -1 0 331.393 3.730 20 0 EHADRM COc1cccc(CNc2ccc(S[C@@H](C)C(=O)[O-])cc2)c1OC ZINC000417664030 1024273751 /nfs/dbraw/zinc/27/37/51/1024273751.db2.gz XNXGONIQVKSJET-LBPRGKRZSA-N -1 0 347.436 3.881 20 0 EHADRM CC(=O)Nc1ccc(C)c(NC(=O)CC2(C(=O)[O-])CCCCCC2)c1 ZINC000327088977 1024288176 /nfs/dbraw/zinc/28/81/76/1024288176.db2.gz IAIFAJOWDBOTAM-UHFFFAOYSA-N -1 0 346.427 3.707 20 0 EHADRM CCOC1CC(CSc2n[n-]c(=Nc3cccc(C)c3)s2)C1 ZINC000505473826 1024308466 /nfs/dbraw/zinc/30/84/66/1024308466.db2.gz KWPSKTXMQNPOMG-UHFFFAOYSA-N -1 0 335.498 3.919 20 0 EHADRM COc1ncc(Nc2cc(C)cc(C(=O)[O-])c2)cc1Br ZINC001211535132 1024309856 /nfs/dbraw/zinc/30/98/56/1024309856.db2.gz PGILYWMRWRYPJN-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM FC(F)(F)Cc1n[n-]c(=NCc2cc(Cl)cc(Cl)c2)s1 ZINC000475049070 1024381942 /nfs/dbraw/zinc/38/19/42/1024381942.db2.gz WTQPBWFQHAALGW-UHFFFAOYSA-N -1 0 342.173 3.984 20 0 EHADRM O=C([O-])[C@@H](CC1CC1)NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000262125874 1024413681 /nfs/dbraw/zinc/41/36/81/1024413681.db2.gz HKPXXFAYCAQXIC-CYBMUJFWSA-N -1 0 333.771 3.583 20 0 EHADRM CC(C)[C@H]1CCC[C@H](NC(=O)N=c2[n-]nc(C(F)F)s2)CC1 ZINC000469656907 1024420380 /nfs/dbraw/zinc/42/03/80/1024420380.db2.gz VDNYTXNDKCJLBE-UWVGGRQHSA-N -1 0 332.420 3.624 20 0 EHADRM CC(C)n1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)n1 ZINC000280908714 1024423626 /nfs/dbraw/zinc/42/36/26/1024423626.db2.gz GHKRDIQZSHFVHY-UHFFFAOYSA-N -1 0 327.475 3.624 20 0 EHADRM c1ccc(-c2n[n-]c(=N[C@H]3CCCN(c4ccccc4)C3)s2)cc1 ZINC000522408510 1024462168 /nfs/dbraw/zinc/46/21/68/1024462168.db2.gz DPIFHQDDPUSVOE-INIZCTEOSA-N -1 0 336.464 3.708 20 0 EHADRM CCCC[C@@H](NC(=O)Nc1ccc(F)c(C(F)(F)F)c1)C(=O)[O-] ZINC000320591815 1024475271 /nfs/dbraw/zinc/47/52/71/1024475271.db2.gz ZFXCGFLJEYNLBG-LLVKDONJSA-N -1 0 336.285 3.609 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(-c3ccccc3C)[nH]n2)c1 ZINC000434960363 1024525456 /nfs/dbraw/zinc/52/54/56/1024525456.db2.gz RSZHZGXLFNFPOH-UHFFFAOYSA-N -1 0 345.399 3.633 20 0 EHADRM CC(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2[O-])c(Cl)c1 ZINC000095604742 1024528893 /nfs/dbraw/zinc/52/88/93/1024528893.db2.gz VOMOBYORFSAKIQ-UHFFFAOYSA-N -1 0 339.178 3.910 20 0 EHADRM Cc1nc(S(=O)(=O)[N-]c2cc(C)ccc2Oc2ccccc2)c[nH]1 ZINC000441756972 1024549178 /nfs/dbraw/zinc/54/91/78/1024549178.db2.gz VXRPJPWEHQVVMA-UHFFFAOYSA-N -1 0 343.408 3.620 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)s1 ZINC000435078661 1024605245 /nfs/dbraw/zinc/60/52/45/1024605245.db2.gz JBLAYNJTIMCNIG-ZFWWWQNUSA-N -1 0 344.484 3.713 20 0 EHADRM Cc1cc(C)c(CC(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)s1 ZINC000909523382 1024625882 /nfs/dbraw/zinc/62/58/82/1024625882.db2.gz NPBPVAHZHRUCPR-LBPRGKRZSA-N -1 0 331.437 3.809 20 0 EHADRM CC(=O)c1c(C)cc(C)c(C[S@](=O)[C@H](CC(C)C)C(=O)[O-])c1C ZINC000514657239 1024641540 /nfs/dbraw/zinc/64/15/40/1024641540.db2.gz LUPOVBXJBRUBJH-MWTRTKDXSA-N -1 0 338.469 3.562 20 0 EHADRM CC[C@@H](NC(=O)N(C)C1(C(=O)[O-])CCCC1)c1cccc(Cl)c1 ZINC000514648255 1024650104 /nfs/dbraw/zinc/65/01/04/1024650104.db2.gz OQFFDNQPGOAKBN-CQSZACIVSA-N -1 0 338.835 3.830 20 0 EHADRM Clc1ccnc(Cl)c1[N-]c1nnc(Br)s1 ZINC001216300239 1024730111 /nfs/dbraw/zinc/73/01/11/1024730111.db2.gz KJQZJEJJXMZOMI-UHFFFAOYSA-N -1 0 326.006 3.746 20 0 EHADRM C[C@H](N=c1nc(C2CC2)[n-]s1)c1cccc(OC(F)(F)F)c1 ZINC000441812718 1024745622 /nfs/dbraw/zinc/74/56/22/1024745622.db2.gz HIXZWEQBKUSTOY-QMMMGPOBSA-N -1 0 329.347 3.909 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)CSc1cccc2cccc(Cl)c21 ZINC000427729882 1024761126 /nfs/dbraw/zinc/76/11/26/1024761126.db2.gz CMVMTHNOXVJMDR-JTQLQIEISA-N -1 0 337.828 3.565 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)c1cc2c(s1)-c1ccccc1C(C)(C)C2 ZINC000427732852 1024767391 /nfs/dbraw/zinc/76/73/91/1024767391.db2.gz YMWNJQFLEDJCBF-LLVKDONJSA-N -1 0 343.448 3.842 20 0 EHADRM CCc1ccc(O)c([N-]S(=O)(=O)c2csc3ccccc32)c1 ZINC000507988170 1024811522 /nfs/dbraw/zinc/81/15/22/1024811522.db2.gz YMAWFZGUVFIMFJ-UHFFFAOYSA-N -1 0 333.434 3.970 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)c1nnc(-c2ccc(C)cc2)[n-]1 ZINC000514910105 1024883271 /nfs/dbraw/zinc/88/32/71/1024883271.db2.gz VBIQFFXSTBYMRE-INIZCTEOSA-N -1 0 341.436 3.705 20 0 EHADRM O=S(=O)([N-]c1cc(C2CC2)[nH]n1)c1ccccc1-c1ccccc1 ZINC000474416362 1024919922 /nfs/dbraw/zinc/91/99/22/1024919922.db2.gz RBZWUXGRGDDPJC-UHFFFAOYSA-N -1 0 339.420 3.755 20 0 EHADRM CCOC(=O)c1oc2ncccc2c1Nc1cc(C)cc(C(=O)[O-])c1 ZINC001211537466 1024921906 /nfs/dbraw/zinc/92/19/06/1024921906.db2.gz LBMIQICUUGNBLN-UHFFFAOYSA-N -1 0 340.335 3.755 20 0 EHADRM CC(C)Cc1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)n[nH]1 ZINC000474422313 1024936601 /nfs/dbraw/zinc/93/66/01/1024936601.db2.gz SNTCLNPEFUFNQJ-UHFFFAOYSA-N -1 0 329.425 3.562 20 0 EHADRM Cc1cc(Nc2ncnc3c2cnn3-c2ccccc2)cc(C(=O)[O-])c1 ZINC001211537509 1024937524 /nfs/dbraw/zinc/93/75/24/1024937524.db2.gz NCJHSXQVYYNIQQ-UHFFFAOYSA-N -1 0 345.362 3.566 20 0 EHADRM CN1CCc2ccc([N-]S(=O)(=O)c3csc4ccccc43)cc21 ZINC000508188758 1024943492 /nfs/dbraw/zinc/94/34/92/1024943492.db2.gz AHXJXRQJRLASGG-UHFFFAOYSA-N -1 0 344.461 3.694 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(C2CCCCC2)[nH]n1 ZINC000474430957 1024959156 /nfs/dbraw/zinc/95/91/56/1024959156.db2.gz XUXPYULKKUXRFK-UHFFFAOYSA-N -1 0 337.420 3.706 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)c2ccc(Cl)c(C)c2)c1 ZINC000515032902 1024973763 /nfs/dbraw/zinc/97/37/63/1024973763.db2.gz QLLFCTBYFLXUBH-INIZCTEOSA-N -1 0 347.798 3.603 20 0 EHADRM Cc1cc(C(=O)NCCCCCCCC(=O)[O-])nn1C1CCCCC1 ZINC000909468292 1024978822 /nfs/dbraw/zinc/97/88/22/1024978822.db2.gz STBIJLLXSMKSGP-UHFFFAOYSA-N -1 0 349.475 3.852 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2occc2-c2ccc(F)cc2)c1 ZINC000190895834 1024994155 /nfs/dbraw/zinc/99/41/55/1024994155.db2.gz XYGSUBAEGYHRTD-UHFFFAOYSA-N -1 0 339.322 3.714 20 0 EHADRM O=C(Nc1ccc(F)c(F)c1[O-])[C@H](c1ccncc1)C1CCCC1 ZINC000897945824 1033253512 /nfs/dbraw/zinc/25/35/12/1033253512.db2.gz GEGBXQQHEVTIJM-HNNXBMFYSA-N -1 0 332.350 3.978 20 0 EHADRM O=C([O-])c1cccc(NC(=O)C2(c3ccccc3F)CCCC2)c1 ZINC000013094950 1025010912 /nfs/dbraw/zinc/01/09/12/1025010912.db2.gz NGOINUJTMUBLIC-UHFFFAOYSA-N -1 0 327.355 3.974 20 0 EHADRM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)N=c2[n-]nc(-c3ccsc3)s2)C1 ZINC000474479479 1025017149 /nfs/dbraw/zinc/01/71/49/1025017149.db2.gz RCVSAFKDUUQQAO-VWYCJHECSA-N -1 0 336.486 3.587 20 0 EHADRM CCCC[C@@H](C)N(C)C(=O)c1nn(-c2cc(C)ccc2F)cc1[O-] ZINC000428160399 1025022211 /nfs/dbraw/zinc/02/22/11/1025022211.db2.gz VDXGJLIVXGFGPA-CYBMUJFWSA-N -1 0 333.407 3.676 20 0 EHADRM CCCn1ccc2cc(NC(=O)N3CC[C@H](C)C[C@@H]3C(=O)[O-])ccc21 ZINC000582040872 1025078523 /nfs/dbraw/zinc/07/85/23/1025078523.db2.gz XMDFWPZNHHNJES-SUMWQHHRSA-N -1 0 343.427 3.768 20 0 EHADRM CC[C@](C)(OC)C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000281487939 1025079715 /nfs/dbraw/zinc/07/97/15/1025079715.db2.gz NTAPRGPRJSYQIN-LBPRGKRZSA-N -1 0 336.613 3.562 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)CCCc1csc2ccccc12)C1CC1 ZINC000262153946 1025088200 /nfs/dbraw/zinc/08/82/00/1025088200.db2.gz NKUJAPRGAUENLI-GFCCVEGCSA-N -1 0 331.437 3.688 20 0 EHADRM C[C@@H](NC(=O)N(CC(=O)[O-])C1CCCCC1)[C@@H](C)c1ccccc1 ZINC000684734108 1025094089 /nfs/dbraw/zinc/09/40/89/1025094089.db2.gz FBMVLUIULWEGQH-HUUCEWRRSA-N -1 0 332.444 3.608 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1nc(C(C)(C)C)cs1 ZINC000435724704 1025106657 /nfs/dbraw/zinc/10/66/57/1025106657.db2.gz VCIKICSOSHDPFJ-SRVKXCTJSA-N -1 0 338.473 3.509 20 0 EHADRM Cc1ccccc1-c1n[n-]c(=NCc2ccc3c(c2)CC(C)(C)O3)o1 ZINC000515261778 1025126970 /nfs/dbraw/zinc/12/69/70/1025126970.db2.gz JSNIRVGAWJFKEL-UHFFFAOYSA-N -1 0 335.407 3.793 20 0 EHADRM CCCN(C(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C)[C@H](CC)C(=O)[O-] ZINC000684739902 1025148894 /nfs/dbraw/zinc/14/88/94/1025148894.db2.gz GIAJUFXZGNTRNE-XKQJLSEDSA-N -1 0 332.444 3.513 20 0 EHADRM C[C@H](NC(=O)CC(C)(C)CC(=O)[O-])c1ccc(Br)s1 ZINC000435808537 1025159726 /nfs/dbraw/zinc/15/97/26/1025159726.db2.gz JZUGBYUALPDIQP-QMMMGPOBSA-N -1 0 348.262 3.579 20 0 EHADRM CCCC[C@H](NC(=O)Nc1ccc(OC2CCCC2)cc1)C(=O)[O-] ZINC000521094045 1025208484 /nfs/dbraw/zinc/20/84/84/1025208484.db2.gz LVHAOKFWPNLWFE-INIZCTEOSA-N -1 0 334.416 3.773 20 0 EHADRM CC[C@H](CNC(=O)CC1CCC(C(=O)[O-])CC1)Oc1ccccc1C ZINC000515487449 1025295853 /nfs/dbraw/zinc/29/58/53/1025295853.db2.gz VISCQUHZOZFYGY-OFLPRAFFSA-N -1 0 347.455 3.550 20 0 EHADRM Cc1cnc(S[C@@H](C)C(=O)Nc2cccc(Cl)c2C)[nH]c1=O ZINC000521273577 1025306833 /nfs/dbraw/zinc/30/68/33/1025306833.db2.gz WMWACQYILXNOAT-JTQLQIEISA-N -1 0 337.832 3.572 20 0 EHADRM Cc1ccc2sc(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)cc2c1 ZINC000909481649 1025326886 /nfs/dbraw/zinc/32/68/86/1025326886.db2.gz HBOHXGKAGJMTOD-CYBMUJFWSA-N -1 0 331.437 3.927 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)c1csc(C2CCCCC2)n1 ZINC000521358478 1025341411 /nfs/dbraw/zinc/34/14/11/1025341411.db2.gz ZIKUETLYHVLJPT-UHFFFAOYSA-N -1 0 328.441 3.532 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)NCc2ccc(OC3CCCC3)cc2)CC1 ZINC000684771578 1025414446 /nfs/dbraw/zinc/41/44/46/1025414446.db2.gz JCGGXBFORQVWFF-WKILWMFISA-N -1 0 345.439 3.515 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000521488613 1025417589 /nfs/dbraw/zinc/41/75/89/1025417589.db2.gz VJKPNZOGYBFWPO-GWCFXTLKSA-N -1 0 346.349 3.802 20 0 EHADRM CC(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CNC(=O)[O-] ZINC000285646263 1025417974 /nfs/dbraw/zinc/41/79/74/1025417974.db2.gz LGRQVKDZMDGVBM-UHFFFAOYSA-N -1 0 347.242 3.636 20 0 EHADRM C[C@H](CNC(=O)c1ccc(CSc2ccccc2)cc1)CC(=O)[O-] ZINC000262164639 1025428839 /nfs/dbraw/zinc/42/88/39/1025428839.db2.gz DGMZWHSNBWXIHJ-AWEZNQCLSA-N -1 0 343.448 3.820 20 0 EHADRM Cc1ccc(C)c([N-]S(=O)(=O)c2cnccc2C(F)(F)F)c1 ZINC000442826177 1025500536 /nfs/dbraw/zinc/50/05/36/1025500536.db2.gz MLABHJXEIWAZFU-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM CC(C)c1cccnc1[N-]S(=O)(=O)c1cnc2ccc(F)cc2c1 ZINC000342444175 1025530136 /nfs/dbraw/zinc/53/01/36/1025530136.db2.gz HXOGPLWOWIRZJR-UHFFFAOYSA-N -1 0 345.399 3.693 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2Cl)cc1 ZINC000347103933 1025530937 /nfs/dbraw/zinc/53/09/37/1025530937.db2.gz AVZCVHYJIAXJSO-CHWSQXEVSA-N -1 0 347.773 3.848 20 0 EHADRM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000324627448 1025535249 /nfs/dbraw/zinc/53/52/49/1025535249.db2.gz PSKPQZIIGQLOEP-IRXDYDNUSA-N -1 0 329.440 3.610 20 0 EHADRM C[C@@H](c1ccccc1)N(C)C(=O)c1cccc(Br)c1[O-] ZINC000521648118 1025559625 /nfs/dbraw/zinc/55/96/25/1025559625.db2.gz LETKEUIPDGXPOL-NSHDSACASA-N -1 0 334.213 3.988 20 0 EHADRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1OC(F)(F)F ZINC000058611858 1025586856 /nfs/dbraw/zinc/58/68/56/1025586856.db2.gz NBKQMHUALJOZQK-UHFFFAOYSA-N -1 0 349.305 3.834 20 0 EHADRM Cc1ccc(CCC2CCN(C(=O)C[C@H](C)CC(=O)[O-])CC2)cc1 ZINC000392136382 1025614794 /nfs/dbraw/zinc/61/47/94/1025614794.db2.gz AQBJPGIYUBFXBF-INIZCTEOSA-N -1 0 331.456 3.667 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)N1CCC[C@H]1c1ccccc1Cl ZINC000321353792 1025647385 /nfs/dbraw/zinc/64/73/85/1025647385.db2.gz YNCZSSZOBDHLRD-IOASZLSFSA-N -1 0 333.815 3.671 20 0 EHADRM C[C@@H](CN(C)C(=O)CCc1ccccc1C(=O)[O-])c1ccccc1 ZINC000262280960 1025648213 /nfs/dbraw/zinc/64/82/13/1025648213.db2.gz ZLOIKGXDWBQYMV-HNNXBMFYSA-N -1 0 325.408 3.580 20 0 EHADRM CCc1sc(C(=O)N=c2[n-]nc(-c3ccsc3)s2)cc1C ZINC000515868354 1025689105 /nfs/dbraw/zinc/68/91/05/1025689105.db2.gz FQBZCFBSJCXULE-UHFFFAOYSA-N -1 0 335.479 3.873 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@@H]2CCCc3ccc(F)cc32)CCCCC1 ZINC000530372008 1025720408 /nfs/dbraw/zinc/72/04/08/1025720408.db2.gz GIMCHNOSRCUDHF-MRXNPFEDSA-N -1 0 333.403 3.745 20 0 EHADRM C[C@@H](NC(=O)CC1(C(=O)[O-])CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000324414725 1025749282 /nfs/dbraw/zinc/74/92/82/1025749282.db2.gz WVZNBBBPZAKGDJ-LLVKDONJSA-N -1 0 343.345 3.918 20 0 EHADRM CCCC[C@H](NC(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000347256186 1025763548 /nfs/dbraw/zinc/76/35/48/1025763548.db2.gz GDECTHBDFHWONS-IHRRRGAJSA-N -1 0 343.345 3.569 20 0 EHADRM CCCC[C@@H](NC(=O)CCC(=O)c1csc2ccccc12)C(=O)[O-] ZINC000347268984 1025773435 /nfs/dbraw/zinc/77/34/35/1025773435.db2.gz ZQYZZFATUDIWKK-CQSZACIVSA-N -1 0 347.436 3.624 20 0 EHADRM CCCC[C@H](NC(=O)C1(c2cccc(Cl)c2)CCCC1)C(=O)[O-] ZINC000347268607 1025773926 /nfs/dbraw/zinc/77/39/26/1025773926.db2.gz YWFZIRPVQBIMLW-HNNXBMFYSA-N -1 0 337.847 3.911 20 0 EHADRM C[C@@H](Cc1ccc(NS(=O)(=O)CCCC(C)(C)C)cc1)C(=O)[O-] ZINC000582304869 1025800289 /nfs/dbraw/zinc/80/02/89/1025800289.db2.gz DYKCIRHVFICNIX-ZDUSSCGKSA-N -1 0 341.473 3.518 20 0 EHADRM O=C(N[C@@H]1CCC[C@H]1OC(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000436513545 1025810446 /nfs/dbraw/zinc/81/04/46/1025810446.db2.gz UHLHCUKGRDXYOH-RKDXNWHRSA-N -1 0 340.153 3.589 20 0 EHADRM CSCc1cc(F)ccc1CNC(=O)c1cc(F)c([O-])c(F)c1 ZINC000436523722 1025828025 /nfs/dbraw/zinc/82/80/25/1025828025.db2.gz VGWHFUDALILTPJ-UHFFFAOYSA-N -1 0 341.354 3.603 20 0 EHADRM COc1ccc2c(c1)N(C(=O)c1cc(F)c([O-])c(F)c1)CCCC2 ZINC000436523126 1025829352 /nfs/dbraw/zinc/82/93/52/1025829352.db2.gz PRBYSYJWTIJVOB-UHFFFAOYSA-N -1 0 333.334 3.662 20 0 EHADRM Cc1ccc(CNC(=O)c2cc(F)c([O-])c(F)c2)c(OC(C)C)c1 ZINC000436526747 1025831324 /nfs/dbraw/zinc/83/13/24/1025831324.db2.gz RNLAVRJGMCVDIL-UHFFFAOYSA-N -1 0 335.350 3.696 20 0 EHADRM COc1ccc(C(=O)N2CCCC[C@H]2Cc2ccccc2)c(O)c1 ZINC000436535066 1025846437 /nfs/dbraw/zinc/84/64/37/1025846437.db2.gz MROGXZWKGMJPBD-INIZCTEOSA-N -1 0 325.408 3.638 20 0 EHADRM O=C(Nc1ccc(-n2cccn2)c(F)c1)c1cc(Cl)ccc1[O-] ZINC000436567831 1025897244 /nfs/dbraw/zinc/89/72/44/1025897244.db2.gz USZXRFLWFZEXIE-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM CC(C)n1cc2c(n1)C[C@@H](NC(=O)c1cc3ccccc3cc1O)CC2 ZINC000436595461 1025913919 /nfs/dbraw/zinc/91/39/19/1025913919.db2.gz IQWVHKMRRBRNDB-KRWDZBQOSA-N -1 0 349.434 3.610 20 0 EHADRM CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1 ZINC000436612905 1025945598 /nfs/dbraw/zinc/94/55/98/1025945598.db2.gz ZTNYHKYYZZLQSD-UHFFFAOYSA-N -1 0 347.436 3.909 20 0 EHADRM O=C(NCCc1cc2ccccc2[nH]1)c1cc(F)cc(Cl)c1[O-] ZINC000436639055 1025966564 /nfs/dbraw/zinc/96/65/64/1025966564.db2.gz MOJFVZHZDXOMMN-UHFFFAOYSA-N -1 0 332.762 3.639 20 0 EHADRM CN(C(=O)c1ccc([O-])c(Cl)c1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000436637157 1025967145 /nfs/dbraw/zinc/96/71/45/1025967145.db2.gz ZDJFQPMAXZOGEI-MRXNPFEDSA-N -1 0 344.842 3.787 20 0 EHADRM O=C(NCC1(Cc2ccccc2)CCC1)c1cc(F)c([O-])c(F)c1 ZINC000436638868 1025967800 /nfs/dbraw/zinc/96/78/00/1025967800.db2.gz LUUJCXZBIRETDA-UHFFFAOYSA-N -1 0 331.362 3.813 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CCCOc2ccccc2F)c1 ZINC000436652801 1025979452 /nfs/dbraw/zinc/97/94/52/1025979452.db2.gz RABNXNWBWYQINO-UHFFFAOYSA-N -1 0 345.370 3.922 20 0 EHADRM COc1ccc(OC)c(CNc2ccccc2CCCC(=O)[O-])c1 ZINC000395792065 1025994828 /nfs/dbraw/zinc/99/48/28/1025994828.db2.gz JFPZRKUYSRDFMV-UHFFFAOYSA-N -1 0 329.396 3.723 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CCc2cccc(OC)c2F)c1 ZINC000436647657 1025996625 /nfs/dbraw/zinc/99/66/25/1025996625.db2.gz KANJWTKXJFJILL-UHFFFAOYSA-N -1 0 345.370 3.704 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CCC(=O)c2ccc(C)s2)c1 ZINC000436647337 1025999274 /nfs/dbraw/zinc/99/92/74/1025999274.db2.gz JQWQKQFMAFWKIR-UHFFFAOYSA-N -1 0 345.420 3.956 20 0 EHADRM CCOc1cccc(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)c1 ZINC000443413910 1026005401 /nfs/dbraw/zinc/00/54/01/1026005401.db2.gz DJQNJWRQGUXFBZ-UHFFFAOYSA-N -1 0 343.404 3.745 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cccn2Cc2cccs2)c1 ZINC000436679968 1026032162 /nfs/dbraw/zinc/03/21/62/1026032162.db2.gz MFXLKSIJYXEHGZ-UHFFFAOYSA-N -1 0 340.404 3.758 20 0 EHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)NC[C@@H](C(=O)[O-])C2CCC2)o1 ZINC000665325786 1026033185 /nfs/dbraw/zinc/03/31/85/1026033185.db2.gz OFEKLHJRBXWRQZ-CVEARBPZSA-N -1 0 348.443 3.716 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cnc(C)c(Cl)c2Cl)c1 ZINC000436682918 1026034002 /nfs/dbraw/zinc/03/40/02/1026034002.db2.gz WVJGROFJPGSXCY-UHFFFAOYSA-N -1 0 339.178 3.857 20 0 EHADRM O=C([O-])c1cnc(-c2ccccc2)nc1/C=C\c1cccc2nccn21 ZINC000443443587 1026045842 /nfs/dbraw/zinc/04/58/42/1026045842.db2.gz NOEJQBPAVCMXBY-KTKRTIGZSA-N -1 0 342.358 3.660 20 0 EHADRM Cc1csc(S(=O)(=O)[N-]c2nc(C)c(C(F)(F)F)s2)c1 ZINC000516147885 1026055904 /nfs/dbraw/zinc/05/59/04/1026055904.db2.gz MRHMKIQCTJGVCH-UHFFFAOYSA-N -1 0 342.389 3.641 20 0 EHADRM Cc1cc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[nH]2)cc2cccnc12 ZINC000443453331 1026058154 /nfs/dbraw/zinc/05/81/54/1026058154.db2.gz KRXGIROTMAWYIY-FNORWQNLSA-N -1 0 349.390 3.535 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)c2c(C)ccc(C)c2C(=O)[O-])c1 ZINC000634820179 1026063089 /nfs/dbraw/zinc/06/30/89/1026063089.db2.gz MWQUKBNRNFPZKH-CYBMUJFWSA-N -1 0 327.380 3.961 20 0 EHADRM CC(C)(NC(=O)CC1(C(=O)[O-])CCC1)c1ccc(Cl)c(Cl)c1 ZINC000262421643 1026103628 /nfs/dbraw/zinc/10/36/28/1026103628.db2.gz ATSSTLDAJMAVSS-UHFFFAOYSA-N -1 0 344.238 3.990 20 0 EHADRM C[C@H]1COC(C)(C)CN1C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436740380 1026110032 /nfs/dbraw/zinc/11/00/32/1026110032.db2.gz YRMMKPXFLQQGFL-NSHDSACASA-N -1 0 333.815 3.838 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000436740894 1026110049 /nfs/dbraw/zinc/11/00/49/1026110049.db2.gz TUXPSFGBXOCSNM-KRWDZBQOSA-N -1 0 339.288 3.520 20 0 EHADRM CC1(C)CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])CCO1 ZINC000436761146 1026130002 /nfs/dbraw/zinc/13/00/02/1026130002.db2.gz WNPJEFCNUDGNLS-UHFFFAOYSA-N -1 0 345.826 3.964 20 0 EHADRM COc1ccc(CNC(=O)c2c([O-])cc(Cl)cc2Cl)cc1 ZINC000436755377 1026147337 /nfs/dbraw/zinc/14/73/37/1026147337.db2.gz LRNHFRIJYNBSMT-UHFFFAOYSA-N -1 0 326.179 3.638 20 0 EHADRM Cc1cccc(C)c1CS(=O)(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000582404580 1026174549 /nfs/dbraw/zinc/17/45/49/1026174549.db2.gz AOIMAEGLAHREQJ-UHFFFAOYSA-N -1 0 347.436 3.560 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)CC1(C(=O)[O-])CCC1)c1ccc(F)cc1F ZINC000262429857 1026220864 /nfs/dbraw/zinc/22/08/64/1026220864.db2.gz BNFGVJKIKZJMNG-HNNXBMFYSA-N -1 0 339.382 3.813 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000634822083 1026279687 /nfs/dbraw/zinc/27/96/87/1026279687.db2.gz MRGOEVVVHJQHLT-SFHVURJKSA-N -1 0 328.368 3.703 20 0 EHADRM CC[C@H](C)[C@H](C(=O)N=c1ccc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000543848860 1026281522 /nfs/dbraw/zinc/28/15/22/1026281522.db2.gz XCCAQJGHTXQPEC-NHYWBVRUSA-N -1 0 337.345 3.686 20 0 EHADRM CCn1nc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)cc1C1CC1 ZINC000530924536 1026403536 /nfs/dbraw/zinc/40/35/36/1026403536.db2.gz NQRMKBSCCGKCNI-UHFFFAOYSA-N -1 0 339.848 3.543 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1ccn(-c2ccccc2)n1 ZINC000158423974 1026463899 /nfs/dbraw/zinc/46/38/99/1026463899.db2.gz QJMSRVIPEOEMRK-UHFFFAOYSA-N -1 0 336.376 3.555 20 0 EHADRM O=S(=O)([N-]c1ccc2cc[nH]c2c1)c1ccccc1C(F)(F)F ZINC000193483952 1026463914 /nfs/dbraw/zinc/46/39/14/1026463914.db2.gz QVRZNLBOTNGURB-UHFFFAOYSA-N -1 0 340.326 3.988 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC[C@@](C)(F)C3)n2)cc1 ZINC000452199811 1026566176 /nfs/dbraw/zinc/56/61/76/1026566176.db2.gz XJZGJOPMYKZYFL-LJQANCHMSA-N -1 0 345.418 3.666 20 0 EHADRM O=C([O-])CN(Cc1ccccc1Oc1cccnc1)c1ccccc1 ZINC000347321565 1026583686 /nfs/dbraw/zinc/58/36/86/1026583686.db2.gz CFWPGWBYOBSYBD-UHFFFAOYSA-N -1 0 334.375 3.965 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)[C@@](C)(CC(=O)[O-])c2ccsc2)cc1F ZINC000634824758 1026623001 /nfs/dbraw/zinc/62/30/01/1026623001.db2.gz BMSYBAQISWVMDM-XIKOKIGWSA-N -1 0 349.427 3.805 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)c2occc2-c2ccccc2)C1 ZINC000261607881 1026675407 /nfs/dbraw/zinc/67/54/07/1026675407.db2.gz DAWHXLWJMHQVAM-IBGZPJMESA-N -1 0 327.380 3.520 20 0 EHADRM Cc1nc(-c2ccc(CN=c3nc(C4CC4)[n-]s3)s2)cs1 ZINC000531411293 1026887534 /nfs/dbraw/zinc/88/75/34/1026887534.db2.gz KPKMPLRJTYHBTM-UHFFFAOYSA-N -1 0 334.495 3.943 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(C)n(-c3ccc(C)cc3)n2)s1 ZINC000342757807 1026972222 /nfs/dbraw/zinc/97/22/22/1026972222.db2.gz MTPCYNXNJXMOFF-UHFFFAOYSA-N -1 0 347.465 3.660 20 0 EHADRM Cc1ccc(-c2noc([N-][C@H]3CCCn4nc(C(C)C)nc43)n2)cc1 ZINC000302060175 1027038920 /nfs/dbraw/zinc/03/89/20/1027038920.db2.gz QZBXLRCJHYEKHL-AWEZNQCLSA-N -1 0 338.415 3.707 20 0 EHADRM Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccccc3F)c2)n1 ZINC000126800102 1027241485 /nfs/dbraw/zinc/24/14/85/1027241485.db2.gz QUZQQYFOXFCOBU-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM Cc1cc(Br)c(CN=c2[n-]nc(C3CC3)o2)cc1Cl ZINC000453044538 1027257749 /nfs/dbraw/zinc/25/77/49/1027257749.db2.gz GTAVNKZSDALGIO-UHFFFAOYSA-N -1 0 342.624 3.705 20 0 EHADRM C[C@@H](NC(=O)C[C@H](C(=O)[O-])c1ccccc1)c1cc2ccccc2o1 ZINC000029010807 1027374541 /nfs/dbraw/zinc/37/45/41/1027374541.db2.gz LVEPCRBJKUGIKC-CJNGLKHVSA-N -1 0 337.375 3.869 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)C2(Oc3ccccc3F)CC2)cc1 ZINC000414444075 1027377641 /nfs/dbraw/zinc/37/76/41/1027377641.db2.gz FGDJTCIOPPXQJN-GFCCVEGCSA-N -1 0 343.354 3.564 20 0 EHADRM CCCC[C@@H](CC)CC(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC000262516566 1027485820 /nfs/dbraw/zinc/48/58/20/1027485820.db2.gz PWBVCTHQKPJMAD-GFCCVEGCSA-N -1 0 337.416 3.947 20 0 EHADRM CCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000614752732 1027508821 /nfs/dbraw/zinc/50/88/21/1027508821.db2.gz RTTBYWSZHOHREN-UHFFFAOYSA-N -1 0 347.436 3.871 20 0 EHADRM O=S(=O)([N-]C1(CF)CCC1)c1c(Cl)cccc1C(F)(F)F ZINC000571675208 1027521014 /nfs/dbraw/zinc/52/10/14/1027521014.db2.gz RHFCUJYEZRTBSZ-UHFFFAOYSA-N -1 0 345.745 3.529 20 0 EHADRM O=C([O-])C1(CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)CCC1 ZINC000262520359 1027577406 /nfs/dbraw/zinc/57/74/06/1027577406.db2.gz NSAOTQQMKVQNIR-IBGZPJMESA-N -1 0 349.430 3.806 20 0 EHADRM C[C@@H](NC(=O)CC1(C(=O)[O-])CCC1)c1nc(-c2ccccc2)cs1 ZINC000262522733 1027589525 /nfs/dbraw/zinc/58/95/25/1027589525.db2.gz OCBIZJACQGJTHB-GFCCVEGCSA-N -1 0 344.436 3.632 20 0 EHADRM C[C@H](NC(=O)CC1(C(=O)[O-])CCC1)c1nc(-c2ccccc2)cs1 ZINC000262522740 1027590785 /nfs/dbraw/zinc/59/07/85/1027590785.db2.gz OCBIZJACQGJTHB-LBPRGKRZSA-N -1 0 344.436 3.632 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c2ccccc12 ZINC000614771784 1027621550 /nfs/dbraw/zinc/62/15/50/1027621550.db2.gz AMHWFQLCVJZFEG-UHFFFAOYSA-N -1 0 349.358 3.927 20 0 EHADRM CN(C(=O)N=c1[n-]nc(C2CC2)s1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000582771021 1027653812 /nfs/dbraw/zinc/65/38/12/1027653812.db2.gz NGTCRAJXSWKXLE-GJZGRUSLSA-N -1 0 342.468 3.637 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CCCOc1cccc(F)c1 ZINC000262526636 1027654926 /nfs/dbraw/zinc/65/49/26/1027654926.db2.gz OUPIFQBLOAXHJC-UHFFFAOYSA-N -1 0 345.370 3.938 20 0 EHADRM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccn(-c2ccccc2)n1 ZINC000614782375 1027672027 /nfs/dbraw/zinc/67/20/27/1027672027.db2.gz QVBDNOSXPCVZKV-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM Cc1c(CNC(=O)NCCCC(=O)[O-])sc2ccc(Cl)cc12 ZINC000414648497 1027693557 /nfs/dbraw/zinc/69/35/57/1027693557.db2.gz UVWKXVFTXCNFPT-UHFFFAOYSA-N -1 0 340.832 3.527 20 0 EHADRM CCCc1n[n-]c(=NC(=O)Nc2cnn([C@@H](C)CC)c2C2CC2)s1 ZINC000342869211 1027757692 /nfs/dbraw/zinc/75/76/92/1027757692.db2.gz VKGYCJGZOYGEPE-JTQLQIEISA-N -1 0 348.476 3.601 20 0 EHADRM CCc1oc(C(=O)N=c2nc(-c3sccc3C)[n-]s2)cc1C ZINC000472262609 1027762102 /nfs/dbraw/zinc/76/21/02/1027762102.db2.gz SASUNVTXBKIYOO-UHFFFAOYSA-N -1 0 333.438 3.713 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)Cc2cc(C)ccc2C)s[n-]1 ZINC000472264216 1027810891 /nfs/dbraw/zinc/81/08/91/1027810891.db2.gz WALGLMMYRRIVAY-UHFFFAOYSA-N -1 0 343.477 3.795 20 0 EHADRM CN(Cc1ccccc1-c1ccccc1)C(=O)CC1(C(=O)[O-])CCC1 ZINC000262556790 1028035565 /nfs/dbraw/zinc/03/55/65/1028035565.db2.gz VCKFJXAZDVPEOM-UHFFFAOYSA-N -1 0 337.419 3.957 20 0 EHADRM CN(CCOc1ccccc1)C(=O)c1c([O-])cc(Cl)cc1Cl ZINC000436756275 1028058358 /nfs/dbraw/zinc/05/83/58/1028058358.db2.gz PIPKTXNSTIDNGV-UHFFFAOYSA-N -1 0 340.206 3.850 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)N=c2ncn(C3CCCCC3)[n-]2)ccc1F ZINC000454262667 1028067623 /nfs/dbraw/zinc/06/76/23/1028067623.db2.gz DATGZGZTCJFVCH-CYBMUJFWSA-N -1 0 345.422 3.535 20 0 EHADRM CC(C)CC[C@@H](NC(=O)c1cc(=O)n(C)[n-]1)c1ccc(Cl)cc1 ZINC000666711179 1028107767 /nfs/dbraw/zinc/10/77/67/1028107767.db2.gz UFXCTDSPBFSBQZ-CQSZACIVSA-N -1 0 335.835 3.686 20 0 EHADRM O=S(=O)([N-]c1ccccc1OC1CCCC1)c1ccc(F)cc1 ZINC000614841017 1028160999 /nfs/dbraw/zinc/16/09/99/1028160999.db2.gz GLIMQLLKYOXHFD-UHFFFAOYSA-N -1 0 335.400 3.948 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccnc2Oc2ccccc2)cc1 ZINC000614843441 1028172228 /nfs/dbraw/zinc/17/22/28/1028172228.db2.gz QPIRVRSVGHQHNV-UHFFFAOYSA-N -1 0 340.404 3.983 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2c[nH]c(C(F)(F)F)cc2=O)c1 ZINC001211960961 1028191858 /nfs/dbraw/zinc/19/18/58/1028191858.db2.gz PTVNEYNAHHWEME-UHFFFAOYSA-N -1 0 332.665 3.901 20 0 EHADRM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000532694117 1028207625 /nfs/dbraw/zinc/20/76/25/1028207625.db2.gz SKMRGYONWGHWQH-HZPDHXFCSA-N -1 0 346.471 3.778 20 0 EHADRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000614852486 1028209508 /nfs/dbraw/zinc/20/95/08/1028209508.db2.gz QNXTZHFXKXVYFD-UHFFFAOYSA-N -1 0 335.425 3.512 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2noc(C(C)(C)C)n2)cc1 ZINC000502425360 1028212168 /nfs/dbraw/zinc/21/21/68/1028212168.db2.gz MQACZGLEJAUGGZ-NSHDSACASA-N -1 0 337.445 3.681 20 0 EHADRM COC(=O)c1ncc(Cl)cc1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211962440 1028215116 /nfs/dbraw/zinc/21/51/16/1028215116.db2.gz FADQOZFKZSTJSG-UHFFFAOYSA-N -1 0 341.150 3.617 20 0 EHADRM Cc1nc(=NC(=O)c2sc(C3CC3)nc2-c2ccccc2)s[n-]1 ZINC000532697989 1028243797 /nfs/dbraw/zinc/24/37/97/1028243797.db2.gz WDZFFSUAZWPYPQ-UHFFFAOYSA-N -1 0 342.449 3.522 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(Cl)c1Br ZINC000236437064 1028244385 /nfs/dbraw/zinc/24/43/85/1028244385.db2.gz WAWIIHSYGDPSJE-JGVFFNPUSA-N -1 0 346.608 3.542 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H]1C(=O)Nc1cccc(Cl)c1Br ZINC000236447479 1028251294 /nfs/dbraw/zinc/25/12/94/1028251294.db2.gz WAWIIHSYGDPSJE-YUMQZZPRSA-N -1 0 346.608 3.542 20 0 EHADRM Cc1cc(Nc2cc(Cl)cc(C(=O)[O-])c2)ccc1N1CCOCC1 ZINC001211965252 1028272274 /nfs/dbraw/zinc/27/22/74/1028272274.db2.gz WAYZESVTWGSYCP-UHFFFAOYSA-N -1 0 346.814 3.927 20 0 EHADRM Oc1cccc(CN2CCOC[C@@H]2c2ccccc2)c1Br ZINC000459375085 1028350591 /nfs/dbraw/zinc/35/05/91/1028350591.db2.gz MBDORLUBKUTECU-OAHLLOKOSA-N -1 0 348.240 3.728 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccsc2)s1)Nc1cccc2[nH]ccc21 ZINC000502588888 1028384994 /nfs/dbraw/zinc/38/49/94/1028384994.db2.gz ZSNJZLUNWCXDEG-UHFFFAOYSA-N -1 0 341.421 3.814 20 0 EHADRM CCO[C@@H](CC(=O)Nc1ccc(CCC(=O)[O-])cc1)C1=CCCC1 ZINC000431510507 1028387975 /nfs/dbraw/zinc/38/79/75/1028387975.db2.gz SVDWYTWQEMXBNC-KRWDZBQOSA-N -1 0 331.412 3.548 20 0 EHADRM C[C@H]1CC[C@H](NC(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)C1 ZINC000444916863 1028410779 /nfs/dbraw/zinc/41/07/79/1028410779.db2.gz CNAAMTFEAKDLIA-UWVGGRQHSA-N -1 0 336.848 3.591 20 0 EHADRM C[C@@H]1C[C@H](CC(F)(F)F)[C@@H](C)N1C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000630322410 1028434400 /nfs/dbraw/zinc/43/44/00/1028434400.db2.gz RYVNYXOUJRTIEL-KPHYFBGPSA-N -1 0 349.393 3.845 20 0 EHADRM O=C([O-])CN(Cc1cc(Cl)cc2cccnc21)c1ccccc1 ZINC000347343482 1028515635 /nfs/dbraw/zinc/51/56/35/1028515635.db2.gz ZTZFBWXECNAFCF-UHFFFAOYSA-N -1 0 326.783 3.979 20 0 EHADRM Cc1cc([C@H]2CCCN2C(=O)c2ccc3[n-]c(=S)oc3c2)no1 ZINC000072866772 1028526175 /nfs/dbraw/zinc/52/61/75/1028526175.db2.gz NYWYCQQYONAICO-CYBMUJFWSA-N -1 0 329.381 3.764 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)N[C@@H]1CCCc2sccc21)c1ccsc1 ZINC000634830067 1028532774 /nfs/dbraw/zinc/53/27/74/1028532774.db2.gz NYJBEVFREQZDBR-DYVFJYSZSA-N -1 0 349.477 3.736 20 0 EHADRM C[C@H](C(=O)N=c1nc(-c2ccccc2Cl)[n-]s1)C(C)(F)F ZINC000583015182 1028537201 /nfs/dbraw/zinc/53/72/01/1028537201.db2.gz RVTGLDPQBDKWSL-SSDOTTSWSA-N -1 0 331.775 3.510 20 0 EHADRM Cc1cc2occ(CC(=O)N3CC[C@@](C)(C(=O)[O-])C3)c2cc1C(C)C ZINC000236700198 1028564617 /nfs/dbraw/zinc/56/46/17/1028564617.db2.gz VMGSZTNJJMSQLH-HXUWFJFHSA-N -1 0 343.423 3.730 20 0 EHADRM O=C(Nc1ccsc1Cl)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000355005050 1028566694 /nfs/dbraw/zinc/56/66/94/1028566694.db2.gz WKUQXBGDLKYVLB-UHFFFAOYSA-N -1 0 337.763 3.684 20 0 EHADRM Cc1cc2occ(CC(=O)N[C@H](C(=O)[O-])C(C)C)c2cc1C(C)C ZINC000236702069 1028572533 /nfs/dbraw/zinc/57/25/33/1028572533.db2.gz XGDDOXBIVLNGBQ-SFHVURJKSA-N -1 0 331.412 3.633 20 0 EHADRM Cc1ccc(C(C)C)c(OCC(=O)N2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000236725529 1028578444 /nfs/dbraw/zinc/57/84/44/1028578444.db2.gz CXVYSQBOYKUIGR-INIZCTEOSA-N -1 0 347.455 3.743 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000236838061 1028589561 /nfs/dbraw/zinc/58/95/61/1028589561.db2.gz JERGZVWCSWAVQI-OLZOCXBDSA-N -1 0 343.345 3.569 20 0 EHADRM CCCCO[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000236845085 1028590256 /nfs/dbraw/zinc/59/02/56/1028590256.db2.gz QLQOWKVRRWBCDI-WMLDXEAASA-N -1 0 349.471 3.821 20 0 EHADRM Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N[C@H](C)CCC(=O)[O-] ZINC000237434031 1028651153 /nfs/dbraw/zinc/65/11/53/1028651153.db2.gz KMSSISPAJLJHJI-GFCCVEGCSA-N -1 0 346.452 3.718 20 0 EHADRM C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N(CC(=O)[O-])C1CC1 ZINC000237531573 1028652771 /nfs/dbraw/zinc/65/27/71/1028652771.db2.gz PUNVBOQCJSNFFX-QMMMGPOBSA-N -1 0 348.251 3.550 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)Nc1ccc(F)c(F)c1)C(=O)[O-] ZINC000237564176 1028657099 /nfs/dbraw/zinc/65/70/99/1028657099.db2.gz QDOYIASRHYWHNV-VIFPVBQESA-N -1 0 337.347 3.782 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1cnc(C(C)(C)C)s1 ZINC000237664469 1028658956 /nfs/dbraw/zinc/65/89/56/1028658956.db2.gz SGIMHBUKCVWQHJ-ZDUSSCGKSA-N -1 0 346.452 3.695 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Cc1cc(Cl)ccc1Cl ZINC000237928457 1028670378 /nfs/dbraw/zinc/67/03/78/1028670378.db2.gz TZWRJTGLSJCMIW-ZDUSSCGKSA-N -1 0 344.238 3.782 20 0 EHADRM O=C([O-])CN(Cc1ccccc1)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000238149457 1028679480 /nfs/dbraw/zinc/67/94/80/1028679480.db2.gz VVNWZKVKHDNZHM-UHFFFAOYSA-N -1 0 338.190 3.720 20 0 EHADRM C[C@@H]1CCN(C(=O)N=c2[n-]nc(-c3ccccc3)s2)C[C@@H](C)C1 ZINC000502876662 1028768559 /nfs/dbraw/zinc/76/85/59/1028768559.db2.gz QTETUOXFYPUWNF-OLZOCXBDSA-N -1 0 330.457 3.527 20 0 EHADRM CC(C)Oc1c(Cl)cccc1[N-]S(=O)(=O)c1ccccc1 ZINC000524018180 1028769838 /nfs/dbraw/zinc/76/98/38/1028769838.db2.gz HVRFAALRGFYDKE-UHFFFAOYSA-N -1 0 325.817 3.928 20 0 EHADRM CC[C@H](C)Sc1ccc(NC(=O)[C@H](C)O[C@@H](C)C(=O)[O-])c(C)c1 ZINC000421806376 1028793489 /nfs/dbraw/zinc/79/34/89/1028793489.db2.gz LWVXVBMXLUCWPO-AVGNSLFASA-N -1 0 339.457 3.702 20 0 EHADRM CC(C)c1ccc(-c2noc(CN3CCC[C@@H](C)[C@@H]3C(=O)[O-])n2)cc1 ZINC000424257216 1028914547 /nfs/dbraw/zinc/91/45/47/1028914547.db2.gz BCCZFNWCIYSGCX-CXAGYDPISA-N -1 0 343.427 3.545 20 0 EHADRM CC(C)c1ccc(-c2noc(CN3CCC[C@@H](C)[C@H]3C(=O)[O-])n2)cc1 ZINC000424257220 1028915309 /nfs/dbraw/zinc/91/53/09/1028915309.db2.gz BCCZFNWCIYSGCX-DYVFJYSZSA-N -1 0 343.427 3.545 20 0 EHADRM Cc1ccc(C)c(C(=O)NCC2(C(F)(F)F)CCCC2)c1C(=O)[O-] ZINC000634850104 1028962807 /nfs/dbraw/zinc/96/28/07/1028962807.db2.gz RNQUEPYCRUZAEX-UHFFFAOYSA-N -1 0 343.345 3.854 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1NC(=O)N=c1[n-]nc(-c2ccsc2)s1 ZINC000503025165 1028984549 /nfs/dbraw/zinc/98/45/49/1028984549.db2.gz PQIMGZGCRBNFLK-PWSUYJOCSA-N -1 0 336.486 3.779 20 0 EHADRM CCC(CC)(CNc1cc(-c2nc(C(C)C)no2)ccn1)C(=O)[O-] ZINC000424381024 1029035771 /nfs/dbraw/zinc/03/57/71/1029035771.db2.gz YBOPIDAUDQFRDQ-UHFFFAOYSA-N -1 0 332.404 3.558 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc(C(=O)C(C)C)cc1)C(=O)[O-] ZINC000424384405 1029039820 /nfs/dbraw/zinc/03/98/20/1029039820.db2.gz FAFMHKDPKCIONB-UHFFFAOYSA-N -1 0 334.416 3.538 20 0 EHADRM Cc1ccc(-c2ncc(C[N@H+]3CCC[C@@H](C)[C@H]3C(=O)[O-])s2)cc1 ZINC000424424742 1029048632 /nfs/dbraw/zinc/04/86/32/1029048632.db2.gz XAZWELWDJLTNDV-CJNGLKHVSA-N -1 0 330.453 3.804 20 0 EHADRM C[C@H](NC(=O)NCCC(C)(C)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000424399142 1029050734 /nfs/dbraw/zinc/05/07/34/1029050734.db2.gz WTVGGWNTHYIQOK-JTQLQIEISA-N -1 0 346.349 3.567 20 0 EHADRM CCC(CC)(CNC(=O)N[C@@H](CC(F)F)c1ccccc1)C(=O)[O-] ZINC000424400152 1029051572 /nfs/dbraw/zinc/05/15/72/1029051572.db2.gz STBYJZXMOJHCCY-ZDUSSCGKSA-N -1 0 342.386 3.573 20 0 EHADRM CCCCOc1ccccc1[N-]S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000614888787 1029053867 /nfs/dbraw/zinc/05/38/67/1029053867.db2.gz ONDXCHNQDFGSOH-UHFFFAOYSA-N -1 0 347.436 3.869 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1C(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000634867315 1029145339 /nfs/dbraw/zinc/14/53/39/1029145339.db2.gz YFRXZHYYVILXOX-RCCFBDPRSA-N -1 0 341.382 3.532 20 0 EHADRM Cc1cc(=NC(=O)CC(c2ccccc2)c2ccccc2)[n-]nc1C ZINC000524508774 1029254843 /nfs/dbraw/zinc/25/48/43/1029254843.db2.gz SMANUPJFJYDOLB-UHFFFAOYSA-N -1 0 331.419 3.676 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccsc2)s1)c1cc2c(cccc2F)[nH]1 ZINC000524526834 1029269451 /nfs/dbraw/zinc/26/94/51/1029269451.db2.gz BJIAAAHPSRXMQC-UHFFFAOYSA-N -1 0 344.396 3.561 20 0 EHADRM CC(C)n1cncc1CN=c1[n-]nc(C(C)(C)c2ccccc2)s1 ZINC000424725807 1029298168 /nfs/dbraw/zinc/29/81/68/1029298168.db2.gz SMORFIINEJFNAW-UHFFFAOYSA-N -1 0 341.484 3.675 20 0 EHADRM Cc1ccccc1SCC(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000320593442 1029309285 /nfs/dbraw/zinc/30/92/85/1029309285.db2.gz XLZLASNOYOXQAV-UHFFFAOYSA-N -1 0 335.469 3.629 20 0 EHADRM Cc1cccc(C(=O)/C(C#N)=C\c2cccc(O[C@@H](C)C(=O)[O-])c2)c1C ZINC000067735268 1029319184 /nfs/dbraw/zinc/31/91/84/1029319184.db2.gz QYUWFRNVYYFNNN-HAKPAVFJSA-N -1 0 349.386 3.945 20 0 EHADRM O=S(=O)([N-]c1ccc(Oc2ccccn2)cc1)c1cccs1 ZINC000505293652 1029446335 /nfs/dbraw/zinc/44/63/35/1029446335.db2.gz LDWLVVGERLPBPL-UHFFFAOYSA-N -1 0 332.406 3.736 20 0 EHADRM CCc1oc(C(=O)Nc2ccccc2OCC(C)C)cc1C(=O)[O-] ZINC000261600281 1029459139 /nfs/dbraw/zinc/45/91/39/1029459139.db2.gz BFVZKDAXKRBCET-UHFFFAOYSA-N -1 0 331.368 3.827 20 0 EHADRM CCc1oc(C(=O)N2CC[C@@H](C)[C@H]2c2cccc(F)c2)cc1C(=O)[O-] ZINC000261654554 1029469249 /nfs/dbraw/zinc/46/92/49/1029469249.db2.gz NCSNNGWTXCPKCV-DIFFPNOSSA-N -1 0 345.370 3.903 20 0 EHADRM CCc1oc(C(=O)N2[C@H](C)Cc3cc(F)ccc3[C@H]2C)cc1C(=O)[O-] ZINC000261676898 1029480814 /nfs/dbraw/zinc/48/08/14/1029480814.db2.gz QABAXBXFJWWPRU-GHMZBOCLSA-N -1 0 345.370 3.827 20 0 EHADRM CCc1oc(C(=O)N2CCC[C@H]2c2cccc(F)c2)cc1C(=O)[O-] ZINC000261710633 1029486026 /nfs/dbraw/zinc/48/60/26/1029486026.db2.gz VHHCLNQSCMKYRI-AWEZNQCLSA-N -1 0 331.343 3.657 20 0 EHADRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1O ZINC000513814120 1029516255 /nfs/dbraw/zinc/51/62/55/1029516255.db2.gz SCIVVLWUKRSXQL-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM C[C@@H](O)C[C@H]1CCCCCN1C(=O)c1cc2ccccc2cc1O ZINC000286675357 1029532824 /nfs/dbraw/zinc/53/28/24/1029532824.db2.gz FRJIMULRXUQNLM-RHSMWYFYSA-N -1 0 327.424 3.701 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])cc2F)[C@@H](c2ccco2)C1 ZINC000262308871 1029583802 /nfs/dbraw/zinc/58/38/02/1029583802.db2.gz BDODZMZJSMVMKS-IAQYHMDHSA-N -1 0 331.343 3.730 20 0 EHADRM COc1ccc2c(c1NC(=O)c1cc(F)c([O-])c(Cl)c1)CCC2 ZINC000446346474 1029587700 /nfs/dbraw/zinc/58/77/00/1029587700.db2.gz NKBWOAGXHXETLZ-UHFFFAOYSA-N -1 0 335.762 3.934 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000262404045 1029589029 /nfs/dbraw/zinc/58/90/29/1029589029.db2.gz HXIRZJZAGFYFEC-NSHDSACASA-N -1 0 341.860 3.534 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)C[C@H](C)c1ccccc1C(F)(F)F)C1CC1 ZINC000262578216 1029607250 /nfs/dbraw/zinc/60/72/50/1029607250.db2.gz DZPJJROIFIKHMM-WDEREUQCSA-N -1 0 343.345 3.663 20 0 EHADRM CC(C)N(C(=O)c1cc(Br)cc(C(=O)[O-])c1)C1CCC1 ZINC000262659570 1029621611 /nfs/dbraw/zinc/62/16/11/1029621611.db2.gz LGCATKWMESGUGV-UHFFFAOYSA-N -1 0 340.217 3.550 20 0 EHADRM Cc1ccnc(NC(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])c1 ZINC000524988195 1029648374 /nfs/dbraw/zinc/64/83/74/1029648374.db2.gz HOICYAOMWDXVEW-UHFFFAOYSA-N -1 0 336.395 3.657 20 0 EHADRM C[C@@H]1CCC[C@H](CC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)C1 ZINC000262995169 1029655017 /nfs/dbraw/zinc/65/50/17/1029655017.db2.gz VSXBUPLYTGTZGT-MXSMSXNCSA-N -1 0 329.440 3.530 20 0 EHADRM Cc1cscc1C(=O)N[C@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC000263035256 1029658815 /nfs/dbraw/zinc/65/88/15/1029658815.db2.gz MZNJXCKYFJZQBT-RHSMWYFYSA-N -1 0 343.448 3.750 20 0 EHADRM CCc1ccc([C@H]2CCCCCN2C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)o1 ZINC000263048750 1029661086 /nfs/dbraw/zinc/66/10/86/1029661086.db2.gz DRSMLBQRLWXGOV-IJEWVQPXSA-N -1 0 333.428 3.787 20 0 EHADRM Cc1c(Cl)cc(F)c(NC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1F ZINC000263086129 1029664267 /nfs/dbraw/zinc/66/42/67/1029664267.db2.gz IJDFTWBQTJVPJH-CBAPKCEASA-N -1 0 346.761 3.501 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N[C@](C)(CC(=O)[O-])C(C)C ZINC000263031065 1029666220 /nfs/dbraw/zinc/66/62/20/1029666220.db2.gz QWROHPAYDVNWAR-QGZVFWFLSA-N -1 0 337.416 3.968 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(c2ccnc3ccc(Br)cc32)C1 ZINC000263152124 1029670177 /nfs/dbraw/zinc/67/01/77/1029670177.db2.gz HOEXJVUEWATCPM-WDEREUQCSA-N -1 0 349.228 3.544 20 0 EHADRM Cc1nc(CCCC(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)cs1 ZINC000263177924 1029671399 /nfs/dbraw/zinc/67/13/99/1029671399.db2.gz GWPLWOXQNVLGNZ-LLVKDONJSA-N -1 0 332.425 3.601 20 0 EHADRM CCC[C@H](CNC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000263173792 1029671840 /nfs/dbraw/zinc/67/18/40/1029671840.db2.gz KXDICNHCXKYYKH-USWWRNFRSA-N -1 0 344.238 3.714 20 0 EHADRM Cc1nc(CCCC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)cs1 ZINC000263177926 1029671894 /nfs/dbraw/zinc/67/18/94/1029671894.db2.gz GWPLWOXQNVLGNZ-NSHDSACASA-N -1 0 332.425 3.601 20 0 EHADRM C[C@H](CNC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1c(Cl)cccc1Cl ZINC000263205369 1029674219 /nfs/dbraw/zinc/67/42/19/1029674219.db2.gz KPPBRPIFUCCWFE-MXWKQRLJSA-N -1 0 344.238 3.714 20 0 EHADRM Cc1c2cccc(Cl)c2oc1C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000263214526 1029674996 /nfs/dbraw/zinc/67/49/96/1029674996.db2.gz NVZPBXCHNWIYMP-GXSJLCMTSA-N -1 0 335.787 3.720 20 0 EHADRM CCc1ccc(C(C)(C)C(=O)NCc2ccc(C(=O)[O-])s2)cc1 ZINC000263220727 1029675774 /nfs/dbraw/zinc/67/57/74/1029675774.db2.gz OZPFVKOWXGFEKF-UHFFFAOYSA-N -1 0 331.437 3.603 20 0 EHADRM CCC[C@H](CNC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)[O-] ZINC000263243098 1029678598 /nfs/dbraw/zinc/67/85/98/1029678598.db2.gz UGWVOQYWDIHIIJ-LLVKDONJSA-N -1 0 345.420 3.538 20 0 EHADRM CCC[C@@H](CNC(=O)c1cccc(OCc2cccs2)c1)C(=O)[O-] ZINC000263252878 1029680603 /nfs/dbraw/zinc/68/06/03/1029680603.db2.gz VKXHDZBFIVLMJF-AWEZNQCLSA-N -1 0 347.436 3.558 20 0 EHADRM CCCc1nc(=NC(=O)N(C)[C@@H](C)c2ccc(C)cc2C)s[n-]1 ZINC000583350334 1029685422 /nfs/dbraw/zinc/68/54/22/1029685422.db2.gz VRRVXBTZQJNWCN-ZDUSSCGKSA-N -1 0 332.473 3.754 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC000263302264 1029686115 /nfs/dbraw/zinc/68/61/15/1029686115.db2.gz ZQYPBRQXUCATBI-LBPRGKRZSA-N -1 0 337.375 3.972 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)N[C@H](c2cccc(F)c2)C2CCCC2)C1 ZINC000263314733 1029687525 /nfs/dbraw/zinc/68/75/25/1029687525.db2.gz ZHCNGADMHPHYBZ-RDJZCZTQSA-N -1 0 348.418 3.563 20 0 EHADRM C[C@H]1CN(C(=O)Cc2ccc(C(=O)[O-])cc2)CC[C@H]1c1ccccc1 ZINC000263325210 1029689551 /nfs/dbraw/zinc/68/95/51/1029689551.db2.gz KDZZGRFFNVKQAE-HNAYVOBHSA-N -1 0 337.419 3.580 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccc3nc(C4CC4)sc3c2)C1 ZINC000263362053 1029690597 /nfs/dbraw/zinc/69/05/97/1029690597.db2.gz YRCWASJZWSKFGP-WDEREUQCSA-N -1 0 330.409 3.613 20 0 EHADRM COc1c(Cl)cc(Cl)cc1CN1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000263363191 1029691978 /nfs/dbraw/zinc/69/19/78/1029691978.db2.gz SMEJWNYZXKRMGX-VHSXEESVSA-N -1 0 332.227 3.687 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c(Cl)c1 ZINC000263403124 1029694233 /nfs/dbraw/zinc/69/42/33/1029694233.db2.gz HCXDHLRKFMWZNW-HNNXBMFYSA-N -1 0 345.826 3.854 20 0 EHADRM COCc1cccc(C(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)c1 ZINC000263404811 1029694850 /nfs/dbraw/zinc/69/48/50/1029694850.db2.gz KDPIPDIZSKDHDO-SFHVURJKSA-N -1 0 347.455 3.767 20 0 EHADRM Cc1ccc(Oc2ccccc2NC(=O)N(C)C[C@@H](C)C(=O)[O-])cc1 ZINC000263461108 1029700038 /nfs/dbraw/zinc/70/00/38/1029700038.db2.gz DOOYLIDJYIHSDS-CQSZACIVSA-N -1 0 342.395 3.972 20 0 EHADRM COc1ccc2c(c1)C[C@H](Nc1cccc(CCC(=O)[O-])c1)CC2 ZINC000263474125 1029702608 /nfs/dbraw/zinc/70/26/08/1029702608.db2.gz DZJAEVBNAZAPTR-GOSISDBHSA-N -1 0 325.408 3.682 20 0 EHADRM C[C@H](Nc1cccc(C(=O)[O-])n1)c1ccc(OCC(F)(F)F)cc1 ZINC000263482559 1029702843 /nfs/dbraw/zinc/70/28/43/1029702843.db2.gz GQJMQFJLCLQPGN-JTQLQIEISA-N -1 0 340.301 3.894 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000263525908 1029709473 /nfs/dbraw/zinc/70/94/73/1029709473.db2.gz JTXNPKCFNXWJES-ZCNNSNEGSA-N -1 0 349.430 3.722 20 0 EHADRM O=C([O-])[C@@]12CCC[C@H]1CN(c1nc(-c3ccc(F)cc3)cs1)C2 ZINC000263557427 1029710607 /nfs/dbraw/zinc/71/06/07/1029710607.db2.gz PFADVLSFKRFWKM-YVEFUNNKSA-N -1 0 332.400 3.640 20 0 EHADRM CCC[C@]1(COC)CCCN1C(=O)c1ccc(C(F)(F)F)cc1O ZINC000446696890 1029759786 /nfs/dbraw/zinc/75/97/86/1029759786.db2.gz OANMTBYODWQLLL-MRXNPFEDSA-N -1 0 345.361 3.832 20 0 EHADRM C[C@H]1CCCCCN1C(=O)N=c1[n-]nc(/C=C/c2ccco2)s1 ZINC000343210585 1029767605 /nfs/dbraw/zinc/76/76/05/1029767605.db2.gz CNDMGUROMMJRQD-BCPZQOPPSA-N -1 0 332.429 3.520 20 0 EHADRM CC[C@@]1(C)CCCN(C(=O)c2cccc(Br)c2[O-])C1 ZINC000525262897 1029772989 /nfs/dbraw/zinc/77/29/89/1029772989.db2.gz JKKXEELWMTVHBC-HNNXBMFYSA-N -1 0 326.234 3.807 20 0 EHADRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc2ncccc2c1 ZINC000446756387 1029782952 /nfs/dbraw/zinc/78/29/52/1029782952.db2.gz HRUIUZPLCGICTA-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc(OC2CCC2)cc1Cl ZINC000431532384 1029798741 /nfs/dbraw/zinc/79/87/41/1029798741.db2.gz ODRRVEBYYHCODP-NSHDSACASA-N -1 0 339.819 3.597 20 0 EHADRM O=C(Nc1ccc(SCc2ccccc2)cn1)c1ncccc1[O-] ZINC000427621746 1029818632 /nfs/dbraw/zinc/81/86/32/1029818632.db2.gz FGRSKXXHZTXDCS-UHFFFAOYSA-N -1 0 337.404 3.727 20 0 EHADRM Fc1cc(CN=c2[n-]nc(-c3ccccc3)o2)ccc1Br ZINC000508575387 1029820918 /nfs/dbraw/zinc/82/09/18/1029820918.db2.gz DJZXEHCLGRYBCJ-UHFFFAOYSA-N -1 0 348.175 3.672 20 0 EHADRM CO[C@H](C)c1nc(=Nc2ccccc2COc2ccccc2)s[n-]1 ZINC000509641097 1029958119 /nfs/dbraw/zinc/95/81/19/1029958119.db2.gz RCSQADHDDSGGCE-CYBMUJFWSA-N -1 0 341.436 3.990 20 0 EHADRM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000171013816 1029998657 /nfs/dbraw/zinc/99/86/57/1029998657.db2.gz YTNCCLTWDVCNPT-LLVKDONJSA-N -1 0 325.817 3.848 20 0 EHADRM Cc1cc(=NC(=O)C[C@H](Cc2ccccc2)c2ccccc2)[n-]nc1C ZINC000525661873 1030005166 /nfs/dbraw/zinc/00/51/66/1030005166.db2.gz KSUYGVCBQWLAPH-FQEVSTJZSA-N -1 0 345.446 3.870 20 0 EHADRM O=S(=O)([N-]c1ccc(C2CCC2)cc1)c1c[nH]c2ncccc12 ZINC000447272791 1030041034 /nfs/dbraw/zinc/04/10/34/1030041034.db2.gz XVARZRSUNXTDMP-UHFFFAOYSA-N -1 0 327.409 3.631 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)c(C)c2)o1 ZINC000447268616 1030057159 /nfs/dbraw/zinc/05/71/59/1030057159.db2.gz WWIMQPUTKVTLCL-UHFFFAOYSA-N -1 0 344.392 3.885 20 0 EHADRM CSc1nc(=NC(=O)Nc2ccc3oc(C(C)C)nc3c2)s[n-]1 ZINC000583548125 1030091956 /nfs/dbraw/zinc/09/19/56/1030091956.db2.gz WXTSVPKCVKLWSV-UHFFFAOYSA-N -1 0 349.441 3.591 20 0 EHADRM O=S(=O)([N-]c1cn[nH]c1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000090230857 1030093731 /nfs/dbraw/zinc/09/37/31/1030093731.db2.gz JYHOYBNOYZVEQW-UHFFFAOYSA-N -1 0 349.799 3.656 20 0 EHADRM CN(C(=O)N1CCC[C@H]1c1ccc(C(=O)[O-])s1)C1CCCCC1 ZINC000556045230 1030101726 /nfs/dbraw/zinc/10/17/26/1030101726.db2.gz JGSIIOVIIZFPQO-ZDUSSCGKSA-N -1 0 336.457 3.968 20 0 EHADRM CCSCc1ccnc([N-]S(=O)(=O)c2cc(C)ccc2F)c1 ZINC000090367836 1030104878 /nfs/dbraw/zinc/10/48/78/1030104878.db2.gz JHLFPQIJDKXYCJ-UHFFFAOYSA-N -1 0 340.445 3.583 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc3c(c2)CCCC3=O)CCCCC1 ZINC000583611817 1030280655 /nfs/dbraw/zinc/28/06/55/1030280655.db2.gz BVGOHTRTNWAQIP-UHFFFAOYSA-N -1 0 329.396 3.569 20 0 EHADRM CCCCc1ccc([N-]S(=O)(=O)c2cccc3c2OCCO3)cc1 ZINC000509660384 1030380407 /nfs/dbraw/zinc/38/04/07/1030380407.db2.gz ZAJVIXQDNLHINB-UHFFFAOYSA-N -1 0 347.436 3.601 20 0 EHADRM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1cccc(F)c1F ZINC000509662259 1030382826 /nfs/dbraw/zinc/38/28/26/1030382826.db2.gz AZKQIMIVNIFNSM-UHFFFAOYSA-N -1 0 337.269 3.784 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000237507027 1030408238 /nfs/dbraw/zinc/40/82/38/1030408238.db2.gz GKBZHXBYFNBIFN-QWRGUYRKSA-N -1 0 331.334 3.569 20 0 EHADRM CCc1ncnc(CC)c1C(=O)Nc1ccc(O)c(C(F)(F)F)c1 ZINC000343343376 1030409901 /nfs/dbraw/zinc/40/99/01/1030409901.db2.gz LXLPPDIGVHGABE-UHFFFAOYSA-N -1 0 339.317 3.578 20 0 EHADRM COC(=O)c1cc(Nc2ccc(C)c(C(=O)[O-])c2)c(Cl)s1 ZINC001211594071 1030482198 /nfs/dbraw/zinc/48/21/98/1030482198.db2.gz KMPBCWQVJDZXRO-UHFFFAOYSA-N -1 0 325.773 3.938 20 0 EHADRM Cc1ccc(Nc2cc(Br)cnc2F)cc1C(=O)[O-] ZINC001211594248 1030489498 /nfs/dbraw/zinc/48/94/98/1030489498.db2.gz QOJZFDVVYLQCMF-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM CC[C@@H](CC1CCCCC1)C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000526956644 1030516902 /nfs/dbraw/zinc/51/69/02/1030516902.db2.gz FGPCKHTWJDJZBH-AWEZNQCLSA-N -1 0 343.427 3.965 20 0 EHADRM COCCOc1cc(C)ccc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000122295086 1030565556 /nfs/dbraw/zinc/56/55/56/1030565556.db2.gz RTQOJSAXLBEGAI-UHFFFAOYSA-N -1 0 335.787 3.632 20 0 EHADRM CC(C)(C)c1cnc(CN=c2[n-]nc(CCc3ccccc3)o2)s1 ZINC000447950706 1030601740 /nfs/dbraw/zinc/60/17/40/1030601740.db2.gz BQXPBWFPFYZXEI-UHFFFAOYSA-N -1 0 342.468 3.643 20 0 EHADRM CC[C@H]1CCCN(C(=O)N=c2nc(-c3ccsc3)[n-]s2)CC1 ZINC000447997509 1030648071 /nfs/dbraw/zinc/64/80/71/1030648071.db2.gz DNRRHZMRBPONAE-NSHDSACASA-N -1 0 336.486 3.733 20 0 EHADRM C[C@@H]1CN(C([O-])=Nc2nc(-c3ccsc3)ns2)c2ccccc21 ZINC000448007542 1030662165 /nfs/dbraw/zinc/66/21/65/1030662165.db2.gz APUHBHJONGOLED-SNVBAGLBSA-N -1 0 342.449 3.844 20 0 EHADRM Cc1ccc(Nc2cnc(NC(=O)OC(C)(C)C)cn2)cc1C(=O)[O-] ZINC001211596507 1030665016 /nfs/dbraw/zinc/66/50/16/1030665016.db2.gz FJTJJUBEBPQECG-UHFFFAOYSA-N -1 0 344.371 3.574 20 0 EHADRM Cc1cc2occ(C(=O)N3CCCC[C@H]3CCC(=O)[O-])c2cc1C ZINC000262750263 1030666890 /nfs/dbraw/zinc/66/68/90/1030666890.db2.gz AGXUFCKGDRLLNK-AWEZNQCLSA-N -1 0 329.396 3.909 20 0 EHADRM Cc1cc2occ(C(=O)N3CCCC[C@@H]3CCC(=O)[O-])c2cc1C ZINC000262750267 1030666944 /nfs/dbraw/zinc/66/69/44/1030666944.db2.gz AGXUFCKGDRLLNK-CQSZACIVSA-N -1 0 329.396 3.909 20 0 EHADRM C[C@@H]1CCN(C(=O)N=c2nc(-c3ccsc3)[n-]s2)C[C@@H](C)C1 ZINC000448012548 1030666974 /nfs/dbraw/zinc/66/69/74/1030666974.db2.gz RSSOFASQVNRBBX-MNOVXSKESA-N -1 0 336.486 3.588 20 0 EHADRM Cc1ccc(Nc2ccc(OCC(F)(F)F)nc2)cc1C(=O)[O-] ZINC001211596659 1030675914 /nfs/dbraw/zinc/67/59/14/1030675914.db2.gz ILUXDIRXJZSMRH-UHFFFAOYSA-N -1 0 326.274 3.773 20 0 EHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C)cc1Cl ZINC000194214214 1030691984 /nfs/dbraw/zinc/69/19/84/1030691984.db2.gz HEUWHSWYDKKCRN-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000927289599 1030712590 /nfs/dbraw/zinc/71/25/90/1030712590.db2.gz HEJCWCNSVZGLMQ-LBPRGKRZSA-N -1 0 337.700 3.552 20 0 EHADRM CSc1nc(=NC(=O)N[C@@H](C)c2oc3ccccc3c2C)s[n-]1 ZINC000476615739 1030730766 /nfs/dbraw/zinc/73/07/66/1030730766.db2.gz GDYOBKZJXJDVAU-VIFPVBQESA-N -1 0 348.453 3.619 20 0 EHADRM CC(C)(CNC(=O)N=c1ccc(C2CC2)n[n-]1)c1ccccc1Cl ZINC000448154902 1030776774 /nfs/dbraw/zinc/77/67/74/1030776774.db2.gz JUTPZCWUJAXPEF-UHFFFAOYSA-N -1 0 344.846 3.529 20 0 EHADRM CSc1nc(=NC(=O)N[C@H](CC(C)C)c2cccs2)s[n-]1 ZINC000476658504 1030782263 /nfs/dbraw/zinc/78/22/63/1030782263.db2.gz KNAPXNDZGFTDST-SECBINFHSA-N -1 0 342.515 3.652 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000262879404 1030940352 /nfs/dbraw/zinc/94/03/52/1030940352.db2.gz KJRQGSHHLUXADA-SFHVURJKSA-N -1 0 349.427 3.922 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)N[C@H]1CCc2cc(F)ccc21 ZINC000448360857 1030984125 /nfs/dbraw/zinc/98/41/25/1030984125.db2.gz DQXWHQSCGLOYTG-SFHVURJKSA-N -1 0 348.381 3.514 20 0 EHADRM COc1cc(C(=O)[O-])cc(NCc2ccnc3ccccc23)c1OC ZINC000551057449 1030994442 /nfs/dbraw/zinc/99/44/42/1030994442.db2.gz XVRUOWDGILWRRQ-UHFFFAOYSA-N -1 0 338.363 3.562 20 0 EHADRM COCc1n[n-]c(=N[C@H](C)c2cc(F)c(Cl)cc2Cl)s1 ZINC000477004879 1031169621 /nfs/dbraw/zinc/16/96/21/1031169621.db2.gz YYSDHRUQRVZKOM-ZCFIWIBFSA-N -1 0 336.219 3.725 20 0 EHADRM CCCCc1ccc([N-]S(=O)(=O)c2ccccc2C(=O)OC)cc1 ZINC000059439901 1031170786 /nfs/dbraw/zinc/17/07/86/1031170786.db2.gz FUVPSJYPVLJKAQ-UHFFFAOYSA-N -1 0 347.436 3.617 20 0 EHADRM CCCc1n[n-]c(=NCc2ccc(N(C)c3ccccc3)nc2)s1 ZINC000477016180 1031174293 /nfs/dbraw/zinc/17/42/93/1031174293.db2.gz ZSMPMMVYEQTIMP-UHFFFAOYSA-N -1 0 339.468 3.688 20 0 EHADRM Cc1ccc(Nc2cc(Br)c(F)cc2N)cc1C(=O)[O-] ZINC001211604301 1031238853 /nfs/dbraw/zinc/23/88/53/1031238853.db2.gz ZKXBXAICXCMHBU-UHFFFAOYSA-N -1 0 339.164 3.921 20 0 EHADRM O=C([O-])c1ccc(-c2cc(F)ccc2OC[C@@H]2CCOC2)c(F)c1 ZINC000568266055 1031268826 /nfs/dbraw/zinc/26/88/26/1031268826.db2.gz ICXBPDIVRZKLRQ-LLVKDONJSA-N -1 0 334.318 3.745 20 0 EHADRM COCC[C@@H](N=c1nc(-c2ccccc2)[n-]s1)c1ccc(C)o1 ZINC000477142630 1031283917 /nfs/dbraw/zinc/28/39/17/1031283917.db2.gz YJLOTJQJZCAKPQ-CQSZACIVSA-N -1 0 329.425 3.718 20 0 EHADRM COc1ccc(Cl)cc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000315300745 1031331066 /nfs/dbraw/zinc/33/10/66/1031331066.db2.gz PLYXQYUBQKIUKA-UHFFFAOYSA-N -1 0 325.792 3.712 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)/C=C\c2cc(Cl)ccc2Cl)C1 ZINC000315583180 1031408883 /nfs/dbraw/zinc/40/88/83/1031408883.db2.gz IRKIALAYRYRCPJ-ZTYXWKCZSA-N -1 0 342.222 3.720 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cccc(CC(=O)[O-])c3)C2)cc1 ZINC000668300162 1031425784 /nfs/dbraw/zinc/42/57/84/1031425784.db2.gz CMXPYSHRLUGGGB-HNAYVOBHSA-N -1 0 337.419 3.640 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCC(OCC2CCCC2)CC1 ZINC000176444390 1031439048 /nfs/dbraw/zinc/43/90/48/1031439048.db2.gz GLXDMQJGWTXHCP-UHFFFAOYSA-N -1 0 337.847 3.857 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NC2CCC(c3ccc(F)cc3)CC2)C1 ZINC000668314352 1031460984 /nfs/dbraw/zinc/46/09/84/1031460984.db2.gz NDXWVFNYAGTSEO-GARNVTTQSA-N -1 0 347.430 3.859 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C(C)=O)ccc2O)cc1 ZINC000477342418 1031470035 /nfs/dbraw/zinc/47/00/35/1031470035.db2.gz RBVSKGJRAZGWJZ-LBPRGKRZSA-N -1 0 347.436 3.909 20 0 EHADRM C/C=C\C[C@H](NC(=O)c1cc(SC)c(Cl)cc1Cl)C(=O)[O-] ZINC000584032219 1031507815 /nfs/dbraw/zinc/50/78/15/1031507815.db2.gz VZTPYSJLIYEFRR-BYCRGOAPSA-N -1 0 348.251 3.865 20 0 EHADRM CCc1cccc(S(=O)(=O)Nc2c(F)cccc2N2CCCC2)c1 ZINC000083577320 1031513559 /nfs/dbraw/zinc/51/35/59/1031513559.db2.gz GBTYNWDPMKKXJE-UHFFFAOYSA-N -1 0 348.443 3.789 20 0 EHADRM CCOC(=O)CCc1cccc(Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC001211607932 1031542620 /nfs/dbraw/zinc/54/26/20/1031542620.db2.gz DUHQHCPLEZGBDN-UHFFFAOYSA-N -1 0 327.380 3.933 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)no2)c(Cl)cc1F ZINC000177768912 1031565042 /nfs/dbraw/zinc/56/50/42/1031565042.db2.gz IGEDRLGFMORMBP-UHFFFAOYSA-N -1 0 346.811 3.874 20 0 EHADRM CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1ccc(C)s1 ZINC000484427804 1031566318 /nfs/dbraw/zinc/56/63/18/1031566318.db2.gz DDFIHVQZIYNWPC-UHFFFAOYSA-N -1 0 327.475 3.552 20 0 EHADRM CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1ccc(CC)s1 ZINC000484431107 1031579253 /nfs/dbraw/zinc/57/92/53/1031579253.db2.gz JUTCRHTYCRLGMF-UHFFFAOYSA-N -1 0 341.502 3.806 20 0 EHADRM CC1(C)CC[C@@](NCc2cnc(C3CC3)o2)(C(=O)[O-])c2ccccc21 ZINC000904010124 1031628884 /nfs/dbraw/zinc/62/88/84/1031628884.db2.gz FNRMSMOKRXNMSJ-FQEVSTJZSA-N -1 0 340.423 3.693 20 0 EHADRM Brc1ccc(/C=C\CCN=c2[n-]nc(C3CC3)o2)cc1 ZINC000528085399 1031682258 /nfs/dbraw/zinc/68/22/58/1031682258.db2.gz VRBMUNIAJGIACV-IWQZZHSRSA-N -1 0 334.217 3.647 20 0 EHADRM O=C([O-])[C@@H](NCc1oc2ccccc2c1Br)C1CCC1 ZINC000904047663 1031693342 /nfs/dbraw/zinc/69/33/42/1031693342.db2.gz GMBGWNMHUXENQF-AWEZNQCLSA-N -1 0 338.201 3.538 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCCC34CCC4)n2)c1 ZINC000551953843 1031788731 /nfs/dbraw/zinc/78/87/31/1031788731.db2.gz UDYBQOVZFMTNHN-UHFFFAOYSA-N -1 0 339.439 3.860 20 0 EHADRM Fc1cc(-c2ccccc2)ccc1CN=c1[n-]nc(C(F)(F)F)o1 ZINC000584165391 1031845051 /nfs/dbraw/zinc/84/50/51/1031845051.db2.gz GUIVEHNFLOTOAF-UHFFFAOYSA-N -1 0 337.276 3.929 20 0 EHADRM O=C([O-])N[C@H]1C[C@@H](Nc2cccc(SC(F)F)c2)C12CCC2 ZINC000904200578 1031846938 /nfs/dbraw/zinc/84/69/38/1031846938.db2.gz UCBNJZFPQWHJRL-NEPJUHHUSA-N -1 0 328.384 3.992 20 0 EHADRM CC(F)(F)c1ccc(CNC(=O)C[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000666104209 1031861015 /nfs/dbraw/zinc/86/10/15/1031861015.db2.gz KMMRLWHTEFNFGQ-MRXNPFEDSA-N -1 0 347.361 3.673 20 0 EHADRM CC[C@H](C)n1ncc(N[C@@H]2C[C@H](NC(=O)[O-])C23CCC3)c1C1CC1 ZINC000904228144 1031866271 /nfs/dbraw/zinc/86/62/71/1031866271.db2.gz KFBBGCZKEPXCOK-GLQYFDAESA-N -1 0 332.448 3.722 20 0 EHADRM O=C([O-])N[C@@H]1C[C@@H](Nc2ccc(N3CCCCC3)c(F)c2)C12CCC2 ZINC000904256677 1031904666 /nfs/dbraw/zinc/90/46/66/1031904666.db2.gz FRVAHOHDWJFQNU-IAGOWNOFSA-N -1 0 347.434 3.807 20 0 EHADRM CC(C)(CCNC(=O)c1ccc(OC2CCC2)cc1Cl)C(=O)[O-] ZINC000455911131 1031955569 /nfs/dbraw/zinc/95/55/69/1031955569.db2.gz VNNOHFJGQVHKSL-UHFFFAOYSA-N -1 0 339.819 3.502 20 0 EHADRM Cc1nc(CC(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c(C)s1 ZINC000159314481 1032009813 /nfs/dbraw/zinc/00/98/13/1032009813.db2.gz LMIREAACXZOIHF-UHFFFAOYSA-N -1 0 331.224 3.954 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)Cc2ccc(C(=O)[O-])cc2)s1 ZINC000448986810 1032018505 /nfs/dbraw/zinc/01/85/05/1032018505.db2.gz USVANBZVWTTZRP-OAHLLOKOSA-N -1 0 329.421 3.661 20 0 EHADRM c1oc(-c2ccccc2)nc1CN=c1[n-]nc(CC2CCCCC2)o1 ZINC000537489312 1033359922 /nfs/dbraw/zinc/35/99/22/1033359922.db2.gz QIKBFLFYXOXAFP-UHFFFAOYSA-N -1 0 338.411 3.881 20 0 EHADRM Cc1cc(C)c(CN=c2[n-]nc([C@H]3Cc4ccccc4O3)o2)c(C)c1 ZINC000537489523 1033371302 /nfs/dbraw/zinc/37/13/02/1033371302.db2.gz YHZSCHGPHTYLCA-GOSISDBHSA-N -1 0 335.407 3.705 20 0 EHADRM Cc1ccc(F)c(NC(=S)[N-]c2ccccc2SCC(N)=O)c1 ZINC000065701403 1033412825 /nfs/dbraw/zinc/41/28/25/1033412825.db2.gz NPYWBDUWJYYWNN-UHFFFAOYSA-N -1 0 349.456 3.520 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(OC(C)C)c3ccccc32)no1 ZINC000608014610 1033437320 /nfs/dbraw/zinc/43/73/20/1033437320.db2.gz DOXYNRZUYFSTFZ-UHFFFAOYSA-N -1 0 346.408 3.724 20 0 EHADRM O=C([N-]S(=O)(=O)C=Cc1ccccc1)[C@H]1Cc2ccccc2S1 ZINC000077944965 1033484025 /nfs/dbraw/zinc/48/40/25/1033484025.db2.gz VBRWQROOSCYDPL-SIFUEBAJSA-N -1 0 345.445 3.661 20 0 EHADRM CSCC1(CCNc2ncnc3sc(C(=O)[O-])c(C)c32)CC1 ZINC000594737336 1033511099 /nfs/dbraw/zinc/51/10/99/1033511099.db2.gz ZWFJOISZWZVVQC-UHFFFAOYSA-N -1 0 337.470 3.643 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ncc(Cc3ccccc3)s2)c1 ZINC000594870332 1033525657 /nfs/dbraw/zinc/52/56/57/1033525657.db2.gz XVQLEXKOEOZFPP-UHFFFAOYSA-N -1 0 344.461 3.843 20 0 EHADRM O=C([O-])CCC[S@](=O)c1ccc(-c2ccc3c(c2)CCCO3)cc1 ZINC000594872143 1033528204 /nfs/dbraw/zinc/52/82/04/1033528204.db2.gz YAWACRMJDANXIG-DEOSSOPVSA-N -1 0 344.432 3.651 20 0 EHADRM CCCC[C@H](CC)CNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000046661147 1033555837 /nfs/dbraw/zinc/55/58/37/1033555837.db2.gz XHGUTZWBBYOLQU-NSHDSACASA-N -1 0 333.457 3.944 20 0 EHADRM CC[C@@]1(C)CCCN(C(=O)N=c2[n-]nc(Cc3ccccc3)s2)C1 ZINC000608263770 1033558091 /nfs/dbraw/zinc/55/80/91/1033558091.db2.gz WEXRBNIQDHTDKN-SFHVURJKSA-N -1 0 344.484 3.595 20 0 EHADRM O=C(N=c1[n-]nc(C(F)F)s1)N[C@@H](CC1CC1)c1ccccc1 ZINC000608291289 1033592347 /nfs/dbraw/zinc/59/23/47/1033592347.db2.gz WEAAREMOHFGQDK-NSHDSACASA-N -1 0 338.383 3.561 20 0 EHADRM Cc1ccc(CNC(=O)Cc2ccc(O)c(F)c2)c(OC(C)(C)C)c1 ZINC000450073239 1033673887 /nfs/dbraw/zinc/67/38/87/1033673887.db2.gz ICINNCQFVNKHHL-UHFFFAOYSA-N -1 0 345.414 3.876 20 0 EHADRM C/C=C\C[C@@H](NC(=O)Nc1cc(Cl)c(OC)c(Cl)c1)C(=O)[O-] ZINC000574895262 1033674385 /nfs/dbraw/zinc/67/43/85/1033674385.db2.gz JCQXGNOYXQLVSB-DLRQAJBASA-N -1 0 347.198 3.543 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)nc1 ZINC000116603556 1033714587 /nfs/dbraw/zinc/71/45/87/1033714587.db2.gz ZSKRMROWHRRPDQ-UHFFFAOYSA-N -1 0 328.846 3.566 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N2CC[C@H](c3ccccc3)C2)s1 ZINC000476383816 1033725421 /nfs/dbraw/zinc/72/54/21/1033725421.db2.gz ZDLZXUNKGMFYFV-HNNXBMFYSA-N -1 0 344.484 3.885 20 0 EHADRM O=C(Nc1ccc(F)c(Br)c1)c1c([O-])cc(F)cc1F ZINC000608483677 1033741021 /nfs/dbraw/zinc/74/10/21/1033741021.db2.gz ONQJFLSSZNDFEH-UHFFFAOYSA-N -1 0 346.102 3.824 20 0 EHADRM CC(C)(C)C[C@H]1CCCN1C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000550648884 1033802201 /nfs/dbraw/zinc/80/22/01/1033802201.db2.gz LWKOXMVFULXBSD-OAHLLOKOSA-N -1 0 345.418 3.758 20 0 EHADRM C[C@]1(c2cccc(F)c2)CCN(C(=O)NCc2ccc(O)c(F)c2)C1 ZINC000650900440 1033856064 /nfs/dbraw/zinc/85/60/64/1033856064.db2.gz GEWCNJAQRGLNMR-IBGZPJMESA-N -1 0 346.377 3.544 20 0 EHADRM CC(C)c1n[n-]c(=NCc2cccc(COCc3ccccc3)c2)o1 ZINC000450255667 1033974621 /nfs/dbraw/zinc/97/46/21/1033974621.db2.gz CGEIHFVFYJUZFU-UHFFFAOYSA-N -1 0 337.423 3.944 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccnc2Nc2ccccc2)s1 ZINC000534065449 1034064958 /nfs/dbraw/zinc/06/49/58/1034064958.db2.gz NMROUORPNIIDGA-UHFFFAOYSA-N -1 0 345.449 3.996 20 0 EHADRM COc1cc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])ccc1Cl ZINC000322998217 1034070058 /nfs/dbraw/zinc/07/00/58/1034070058.db2.gz BZHTXULLQFSQTC-LBPRGKRZSA-N -1 0 340.807 3.600 20 0 EHADRM O=C([O-])c1ccc(CN2CCO[C@@H](c3c(F)cccc3Cl)C2)cc1 ZINC000647377462 1034116396 /nfs/dbraw/zinc/11/63/96/1034116396.db2.gz LICPEAUWHSBOIX-MRXNPFEDSA-N -1 0 349.789 3.751 20 0 EHADRM C[C@H]1CCc2sc(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)cc2C1 ZINC000323054284 1034125916 /nfs/dbraw/zinc/12/59/16/1034125916.db2.gz HPODKEGVNDYZMD-VIFPVBQESA-N -1 0 333.384 3.963 20 0 EHADRM O=C(Oc1ccc(NC(=O)C2CC2)cc1)c1cc(=O)c2ccccc2[n-]1 ZINC000065784540 1034216849 /nfs/dbraw/zinc/21/68/49/1034216849.db2.gz KHKUJWXETOUSAK-UHFFFAOYSA-N -1 0 348.358 3.508 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCC[C@H](C)C2)cc1 ZINC000080252341 1034250476 /nfs/dbraw/zinc/25/04/76/1034250476.db2.gz TUMAVKINJVHJCF-QWHCGFSZSA-N -1 0 325.430 3.557 20 0 EHADRM O=C(C[C@@H]1CCc2ccccc21)N=c1nc(Cc2ccccc2)[n-]s1 ZINC000604284513 1034300516 /nfs/dbraw/zinc/30/05/16/1034300516.db2.gz VPRIWTXEHPXTLN-INIZCTEOSA-N -1 0 349.459 3.609 20 0 EHADRM CCC(CC)(CC(=O)Nc1cccc(Br)c1C)C(=O)[O-] ZINC000227873738 1034327320 /nfs/dbraw/zinc/32/73/20/1034327320.db2.gz OVAJHEAHOADCMS-UHFFFAOYSA-N -1 0 342.233 3.977 20 0 EHADRM C[C@H](C(=O)N[C@H](CC(=O)[O-])C1CCCCC1)c1c(F)cccc1F ZINC000450512817 1034448500 /nfs/dbraw/zinc/44/85/00/1034448500.db2.gz SSFSJFOOHRZYMG-XHDPSFHLSA-N -1 0 339.382 3.608 20 0 EHADRM O=C(NCCC1(CO)CC1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000456437945 1034452298 /nfs/dbraw/zinc/45/22/98/1034452298.db2.gz RPFFQSVPDSHOTG-UHFFFAOYSA-N -1 0 345.826 3.605 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000604708362 1034461839 /nfs/dbraw/zinc/46/18/39/1034461839.db2.gz LCQWXXSCHONDQF-KGLIPLIRSA-N -1 0 347.340 3.537 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)C1CCC(C(=O)[O-])CC1 ZINC000450532387 1034466522 /nfs/dbraw/zinc/46/65/22/1034466522.db2.gz OSTGMJHURVXYIT-LTDKPHRXSA-N -1 0 329.440 3.672 20 0 EHADRM CCC[C@H](NC(=O)N=c1nc(C(C)(C)C)[n-]s1)c1ccccc1 ZINC000604800406 1034508328 /nfs/dbraw/zinc/50/83/28/1034508328.db2.gz RABAYMMNOMUBRT-ZDUSSCGKSA-N -1 0 332.473 3.920 20 0 EHADRM Cc1cc(C)cc([C@H]2CCN(C(=O)Cc3ccc(O)c(F)c3)C2)c1 ZINC000450560299 1034521107 /nfs/dbraw/zinc/52/11/07/1034521107.db2.gz FEJHYAUEZTXDER-INIZCTEOSA-N -1 0 327.399 3.707 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)n1 ZINC000604838922 1034522118 /nfs/dbraw/zinc/52/21/18/1034522118.db2.gz OQMBGPRRTHPVML-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM COc1cc2c(cc1F)CC[C@@H]2Nc1ncc(C(=O)[O-])cc1Cl ZINC000647454626 1034585967 /nfs/dbraw/zinc/58/59/67/1034585967.db2.gz XARPAZFPCMRWHT-ZDUSSCGKSA-N -1 0 336.750 3.680 20 0 EHADRM O=C([O-])c1cccnc1N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000647452639 1034590175 /nfs/dbraw/zinc/59/01/75/1034590175.db2.gz FVMAFIRTGZAROY-OAHLLOKOSA-N -1 0 326.400 3.581 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000605092594 1034625418 /nfs/dbraw/zinc/62/54/18/1034625418.db2.gz LNDQQGZTINVDNT-UHFFFAOYSA-N -1 0 343.477 3.896 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCC[C@@]2(CCOC2)C1 ZINC000456699560 1034668103 /nfs/dbraw/zinc/66/81/03/1034668103.db2.gz SNSQHOUUXYEREK-LJQANCHMSA-N -1 0 345.826 3.842 20 0 EHADRM O=C(Nc1n[nH]c(-c2ccc(O)c(Cl)c2)n1)C1=CCCCCC1 ZINC000450700379 1034714925 /nfs/dbraw/zinc/71/49/25/1034714925.db2.gz TVYRFCGTEWLUII-UHFFFAOYSA-N -1 0 332.791 3.660 20 0 EHADRM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccnn1[C@@H](C)C1CC1 ZINC000605495834 1034768645 /nfs/dbraw/zinc/76/86/45/1034768645.db2.gz PUSLZLNFCLVPSJ-ZDUSSCGKSA-N -1 0 347.484 3.780 20 0 EHADRM COc1cccc(CN(CC(C)C)C(=O)c2c([O-])cc(F)cc2F)c1 ZINC000605894697 1034838804 /nfs/dbraw/zinc/83/88/04/1034838804.db2.gz JFWWJGIWPWQQQH-UHFFFAOYSA-N -1 0 349.377 3.977 20 0 EHADRM CSCc1ccc(CNC(=O)c2c(C)ccc(C)c2C(=O)[O-])cc1 ZINC000601983647 1034847044 /nfs/dbraw/zinc/84/70/44/1034847044.db2.gz QOHVPEWPHBBBTK-UHFFFAOYSA-N -1 0 343.448 3.795 20 0 EHADRM Cc1ccc(-c2cccnc2)cc1NC(=O)[C@H](C)S[C@H](C)C(=O)[O-] ZINC000601985190 1034848671 /nfs/dbraw/zinc/84/86/71/1034848671.db2.gz YCAMATCBGMWVLU-QWHCGFSZSA-N -1 0 344.436 3.590 20 0 EHADRM Cn1[n-]c(C(=O)N[C@@H](c2cccc(Cl)c2)C2CCCCC2)cc1=O ZINC000612399591 1034887285 /nfs/dbraw/zinc/88/72/85/1034887285.db2.gz BWLLBKVWBGKDSK-QGZVFWFLSA-N -1 0 347.846 3.831 20 0 EHADRM CCC(CC)c1nnc([N-]S(=O)(=O)c2sc(C)cc2C)s1 ZINC000450970678 1034996990 /nfs/dbraw/zinc/99/69/90/1034996990.db2.gz FDDOTDXEOQZPCZ-UHFFFAOYSA-N -1 0 345.515 3.921 20 0 EHADRM O=C([O-])[C@H]1c2ccoc2CCN1Cc1csc(C2CCCCC2)n1 ZINC000530165491 1035014098 /nfs/dbraw/zinc/01/40/98/1035014098.db2.gz GKGASWCSWQCCMX-MRXNPFEDSA-N -1 0 346.452 3.968 20 0 EHADRM CCC(C)(C)CS(=O)(=O)Nc1cc(C(=O)[O-])c(Cl)cc1C ZINC000530138220 1035014750 /nfs/dbraw/zinc/01/47/50/1035014750.db2.gz MBQOCWCEXUTANL-UHFFFAOYSA-N -1 0 333.837 3.525 20 0 EHADRM CSCCc1ccc([N-]S(=O)(=O)c2cc(C)cs2)cc1 ZINC000451006213 1035025899 /nfs/dbraw/zinc/02/58/99/1035025899.db2.gz USPKZLWVGYFRPZ-UHFFFAOYSA-N -1 0 327.496 3.763 20 0 EHADRM Cc1cc(Cl)ccc1C1=CCN([C@@H](C(=O)[O-])c2cccnc2)CC1 ZINC000530172111 1035028028 /nfs/dbraw/zinc/02/80/28/1035028028.db2.gz IYQNQRPISGJEQM-GOSISDBHSA-N -1 0 342.826 3.958 20 0 EHADRM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1sccc1Cl)C(F)(F)F ZINC000451012715 1035031226 /nfs/dbraw/zinc/03/12/26/1035031226.db2.gz XIYZBPUAFJWCDE-POYBYMJQSA-N -1 0 335.800 3.657 20 0 EHADRM CC(C)([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(F)(F)F ZINC000451032620 1035035848 /nfs/dbraw/zinc/03/58/48/1035035848.db2.gz QHKIGHSGWDHLSP-UHFFFAOYSA-N -1 0 336.162 3.613 20 0 EHADRM CCOc1cc(CN=c2[n-]nc(C3CC3)s2)ccc1OCC(C)C ZINC000584487551 1035041591 /nfs/dbraw/zinc/04/15/91/1035041591.db2.gz JIKNDIAYHJZDDK-UHFFFAOYSA-N -1 0 347.484 3.883 20 0 EHADRM O=S(=O)([N-]c1ccc(F)c(F)c1)c1c(Cl)ccc(F)c1F ZINC000570111769 1035064106 /nfs/dbraw/zinc/06/41/06/1035064106.db2.gz ZFTYVASLZMATCB-UHFFFAOYSA-N -1 0 339.697 3.697 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000066003763 1035103217 /nfs/dbraw/zinc/10/32/17/1035103217.db2.gz BMNKMYOGOIHHQC-UHFFFAOYSA-N -1 0 347.367 3.882 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)c2sccc2CC)cc1 ZINC000066003296 1035103569 /nfs/dbraw/zinc/10/35/69/1035103569.db2.gz UJSXIIKCDCLGBA-UHFFFAOYSA-N -1 0 337.466 3.957 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCC[C@H]1c1cc[nH]n1 ZINC000376013999 1035118295 /nfs/dbraw/zinc/11/82/95/1035118295.db2.gz QYVYVPJJHCXZLR-INIZCTEOSA-N -1 0 341.798 3.899 20 0 EHADRM CCC[C@H](CC1CCCCC1)C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000584496705 1035186201 /nfs/dbraw/zinc/18/62/01/1035186201.db2.gz PLEQNLWEGCAVDR-HZPDHXFCSA-N -1 0 348.491 3.603 20 0 EHADRM CCc1ccc(-c2ccc(CN=c3[n-]nc(C(F)(F)F)o3)o2)cc1 ZINC000570372668 1035220952 /nfs/dbraw/zinc/22/09/52/1035220952.db2.gz XABUXPCVZGQJKM-UHFFFAOYSA-N -1 0 337.301 3.945 20 0 EHADRM C[C@@H]1CC2(CCC2)CN1C(=O)N=c1[n-]nc(/C=C/c2ccco2)s1 ZINC000376108780 1035277139 /nfs/dbraw/zinc/27/71/39/1035277139.db2.gz CLIDEHHKHJMPHU-BTDICHCPSA-N -1 0 344.440 3.520 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000317338848 1035298738 /nfs/dbraw/zinc/29/87/38/1035298738.db2.gz QFGINOPLYXUSRF-DTWKUNHWSA-N -1 0 335.709 3.798 20 0 EHADRM CC[C@@H](CNC(=O)c1cc(F)c(F)c([O-])c1F)CC(F)(F)F ZINC000414014134 1035363655 /nfs/dbraw/zinc/36/36/55/1035363655.db2.gz WYKHZDQDSHFAJH-ZCFIWIBFSA-N -1 0 329.240 3.518 20 0 EHADRM O=C(CCCC1CCCC1)[N-]S(=O)(=O)c1sccc1Cl ZINC000835945912 1035431736 /nfs/dbraw/zinc/43/17/36/1035431736.db2.gz ZPZGLLMVCISDLU-UHFFFAOYSA-N -1 0 335.878 3.567 20 0 EHADRM CO[C@H](C)c1nc(=Nc2cccc(-c3nc(C)cs3)c2)s[n-]1 ZINC000549001818 1035432900 /nfs/dbraw/zinc/43/29/00/1035432900.db2.gz BCLLTGYEKGADNH-SNVBAGLBSA-N -1 0 332.454 3.843 20 0 EHADRM C[C@@](CC(=O)NCCC1=CCCC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000414072625 1035443666 /nfs/dbraw/zinc/44/36/66/1035443666.db2.gz FAZIPTJJFIPLMF-SFHVURJKSA-N -1 0 335.831 3.689 20 0 EHADRM CCOc1ccc(NC(=O)CC2(C(=O)[O-])CCCCCC2)c(F)c1 ZINC000414100889 1035498551 /nfs/dbraw/zinc/49/85/51/1035498551.db2.gz LPBUBDSIZPFYEJ-UHFFFAOYSA-N -1 0 337.391 3.978 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)c1cccn1C1CCCC1 ZINC000431792319 1035511556 /nfs/dbraw/zinc/51/15/56/1035511556.db2.gz BYVNPVYUHCDLMR-JKSUJKDBSA-N -1 0 332.444 3.757 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)C[C@H](C)c1ccccc1 ZINC000237534934 1035536994 /nfs/dbraw/zinc/53/69/94/1035536994.db2.gz XZGKNUAZBUEBQA-MAUKXSAKSA-N -1 0 325.408 3.821 20 0 EHADRM Brc1ccc(CN=c2[n-]nc(C3CCCCC3)o2)cc1 ZINC000540707697 1035588278 /nfs/dbraw/zinc/58/82/78/1035588278.db2.gz CGWLQQXLJIMARD-UHFFFAOYSA-N -1 0 336.233 3.914 20 0 EHADRM O=S(=O)([N-]c1ccc(C(F)(F)F)cn1)c1cc2ccccc2o1 ZINC000540697133 1035599133 /nfs/dbraw/zinc/59/91/33/1035599133.db2.gz CRTYDDUIDKGOIM-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM Cc1nc(=NC(=O)c2ccc3c(ccn3Cc3ccccc3)c2)s[n-]1 ZINC000431808059 1035630889 /nfs/dbraw/zinc/63/08/89/1035630889.db2.gz AHBGGKZYPQQTCT-UHFFFAOYSA-N -1 0 348.431 3.524 20 0 EHADRM C[C@H](Oc1n[n-]c(=O)cc1Cl)c1cc(Br)ccc1F ZINC001233587448 1035635271 /nfs/dbraw/zinc/63/52/71/1035635271.db2.gz RMWBXPHQNFBMKO-LURJTMIESA-N -1 0 347.571 3.877 20 0 EHADRM C[C@@H](CNC(=O)c1cc2sc3ccccc3c2s1)CC(=O)[O-] ZINC000540786407 1035681171 /nfs/dbraw/zinc/68/11/71/1035681171.db2.gz LLOOTRKDCSVCAY-SECBINFHSA-N -1 0 333.434 3.957 20 0 EHADRM FC(F)Oc1ccccc1CN=c1[n-]nc(CC2CCCCC2)o1 ZINC000540792030 1035686991 /nfs/dbraw/zinc/68/69/91/1035686991.db2.gz OSFUWHWIBQPGOO-UHFFFAOYSA-N -1 0 337.370 3.828 20 0 EHADRM CC(C)CCc1n[n-]c(=NCc2ccccc2OCC(F)(F)F)o1 ZINC000540793427 1035687217 /nfs/dbraw/zinc/68/72/17/1035687217.db2.gz UMFIEARPWODPHE-UHFFFAOYSA-N -1 0 343.349 3.633 20 0 EHADRM Cc1c(C(=O)N[C@@](C)(CC(=O)[O-])C(C)C)sc2cccc(F)c12 ZINC000263093114 1035697532 /nfs/dbraw/zinc/69/75/32/1035697532.db2.gz VNPIMERBOAKLKH-KRWDZBQOSA-N -1 0 337.416 3.968 20 0 EHADRM Clc1ccccc1COc1cccc(CN=c2[n-]ncs2)c1 ZINC000540809006 1035700770 /nfs/dbraw/zinc/70/07/70/1035700770.db2.gz PILSIWGLTFVSIF-UHFFFAOYSA-N -1 0 331.828 3.805 20 0 EHADRM c1ccc2nc(N3CCCCC3)c(CN=c3[n-]nc(C4CC4)o3)cc2c1 ZINC000540807828 1035701420 /nfs/dbraw/zinc/70/14/20/1035701420.db2.gz RZUDOUXGAPBOMJ-UHFFFAOYSA-N -1 0 349.438 3.520 20 0 EHADRM COc1ccccc1[C@H]1CCCN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000186776244 1035713839 /nfs/dbraw/zinc/71/38/39/1035713839.db2.gz WSRHKOAAVHTQIM-OAHLLOKOSA-N -1 0 333.334 3.656 20 0 EHADRM COC[C@@H]1CCCN(C(=O)c2c([O-])cc(Cl)cc2Cl)CC1 ZINC000457100162 1035739966 /nfs/dbraw/zinc/73/99/66/1035739966.db2.gz ZJONQGOYNJHBFZ-SNVBAGLBSA-N -1 0 332.227 3.588 20 0 EHADRM COc1ccc([C@H](C)NC(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)cc1 ZINC000588176611 1035801440 /nfs/dbraw/zinc/80/14/40/1035801440.db2.gz JKLBPWSBSJOZHQ-XOBRGWDASA-N -1 0 347.455 3.934 20 0 EHADRM CC1(C)C(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)C1(C)C ZINC000376279605 1035818890 /nfs/dbraw/zinc/81/88/90/1035818890.db2.gz IOHUGGVFVGJDFR-UHFFFAOYSA-N -1 0 329.440 3.773 20 0 EHADRM C[C@H](Cc1ccc(-c2ccc(NC(=O)C(C)(C)C)nc2)cc1)C(=O)[O-] ZINC000571940604 1035840653 /nfs/dbraw/zinc/84/06/53/1035840653.db2.gz XXFUSCRKWVCHGT-CYBMUJFWSA-N -1 0 340.423 3.996 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)CCc2ccccc2)cc1 ZINC000045098543 1035845160 /nfs/dbraw/zinc/84/51/60/1035845160.db2.gz SFVKQTUUWRYYKV-UHFFFAOYSA-N -1 0 331.437 3.917 20 0 EHADRM CCCCCC(=O)[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000045098915 1035845260 /nfs/dbraw/zinc/84/52/60/1035845260.db2.gz MDQXCQUCWFBEOH-UHFFFAOYSA-N -1 0 348.808 3.782 20 0 EHADRM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1scnc1C1CC1 ZINC000534974448 1035852258 /nfs/dbraw/zinc/85/22/58/1035852258.db2.gz YUWGYECBCRUPDC-UHFFFAOYSA-N -1 0 328.846 3.783 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N2[C@@H](C)C[C@@H]2C)s1)c1ccccc1 ZINC000571970447 1035854259 /nfs/dbraw/zinc/85/42/59/1035854259.db2.gz WKBZJJOJBPKNLI-SGMGOOAPSA-N -1 0 330.457 3.517 20 0 EHADRM CCCc1c(C(=O)Nc2ccc(F)c(F)c2[O-])[nH]c(C)c1C(C)=O ZINC000457285690 1035941895 /nfs/dbraw/zinc/94/18/95/1035941895.db2.gz DIGGPULBHIHUJF-UHFFFAOYSA-N -1 0 336.338 3.714 20 0 EHADRM O=S(=O)([N-]c1cnc2c(c1)CCCC2)c1cccc2ccccc21 ZINC000541071603 1035950985 /nfs/dbraw/zinc/95/09/85/1035950985.db2.gz GZUZGKJAPLKBLT-UHFFFAOYSA-N -1 0 338.432 3.914 20 0 EHADRM Cc1oc(-c2ccccc2)nc1CONC(=O)Cc1ccc(C)cc1 ZINC000156837597 1036007803 /nfs/dbraw/zinc/00/78/03/1036007803.db2.gz DNIVKIVFUXPFLM-UHFFFAOYSA-N -1 0 336.391 3.749 20 0 EHADRM Cc1c(C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)oc2c1c(C)ccc2C ZINC000541211757 1036084006 /nfs/dbraw/zinc/08/40/06/1036084006.db2.gz OXIADSCRBJHGRQ-VBKZILBWSA-N -1 0 341.407 3.685 20 0 EHADRM O=S(=O)([N-]c1cccc(Oc2ccccn2)c1)c1ccccc1F ZINC000174772068 1036085559 /nfs/dbraw/zinc/08/55/59/1036085559.db2.gz KSYFOMZKULAFGF-UHFFFAOYSA-N -1 0 344.367 3.814 20 0 EHADRM COCc1nc(=N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)s[n-]1 ZINC000541217721 1036093410 /nfs/dbraw/zinc/09/34/10/1036093410.db2.gz FIGSUQPJGYQFRQ-MGCOHNPYSA-N -1 0 344.267 3.771 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)N2CC[C@](C(=O)[O-])(C(C)C)C2)c1 ZINC000263115417 1036096223 /nfs/dbraw/zinc/09/62/23/1036096223.db2.gz WRVLKJNPRQDTBR-HXUWFJFHSA-N -1 0 345.439 3.605 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)c2cccc(OC3CCCC3)c2)C1 ZINC000263115480 1036096702 /nfs/dbraw/zinc/09/67/02/1036096702.db2.gz WTKWDEAIRCYPPM-HXUWFJFHSA-N -1 0 345.439 3.581 20 0 EHADRM CCC[C@H](CNC(=O)CCCc1csc2ccccc12)C(=O)[O-] ZINC000263112702 1036097172 /nfs/dbraw/zinc/09/71/72/1036097172.db2.gz GDVCXVUOHIMQJW-CYBMUJFWSA-N -1 0 333.453 3.841 20 0 EHADRM CC[C@H](c1n[n-]c(=NC(=O)N2CC=C(C)CC2)s1)c1ccccc1 ZINC000535217397 1036202542 /nfs/dbraw/zinc/20/25/42/1036202542.db2.gz WZPASRBTIJITPQ-HNNXBMFYSA-N -1 0 342.468 3.686 20 0 EHADRM CCCOc1ccc([N-]S(=O)(=O)c2cc(C)cs2)cc1OC ZINC000629330648 1036263728 /nfs/dbraw/zinc/26/37/28/1036263728.db2.gz BHIYQFPIDITNKB-UHFFFAOYSA-N -1 0 341.454 3.655 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N=c2ncn(C3CCCCC3)[n-]2)s1 ZINC000541442387 1036313098 /nfs/dbraw/zinc/31/30/98/1036313098.db2.gz OBZXIQQUOUAOJP-UHFFFAOYSA-N -1 0 332.473 3.817 20 0 EHADRM O=C(CCCc1csc2ccccc12)NOCc1cccnc1 ZINC000152289492 1036329523 /nfs/dbraw/zinc/32/95/23/1036329523.db2.gz SHAFXXLMGOWUNL-UHFFFAOYSA-N -1 0 326.421 3.867 20 0 EHADRM COCc1cc(NC(=O)CCCc2ccc(C)cc2)cc(C(=O)[O-])c1 ZINC000263147809 1036393965 /nfs/dbraw/zinc/39/39/65/1036393965.db2.gz WNYFXOUEQIOGDZ-UHFFFAOYSA-N -1 0 341.407 3.801 20 0 EHADRM CCCc1c(C(=O)Nc2cc(C(=O)[O-])ccc2C)[nH]c(C)c1C(C)=O ZINC000261939016 1036446023 /nfs/dbraw/zinc/44/60/23/1036446023.db2.gz ZXJDBXILVVIBDT-UHFFFAOYSA-N -1 0 342.395 3.737 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnc(C(F)(F)F)cc2C)c(F)c1 ZINC000685902113 1036498552 /nfs/dbraw/zinc/49/85/52/1036498552.db2.gz BDYWNWWEUOSXPU-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM C/C=C\C[C@H](NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000572822353 1036510278 /nfs/dbraw/zinc/51/02/78/1036510278.db2.gz BHHRGJPQLGNPIX-DAQCEPHFSA-N -1 0 343.345 3.735 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2cnc(C(F)(F)F)cc2C)c1 ZINC000685902700 1036510921 /nfs/dbraw/zinc/51/09/21/1036510921.db2.gz WVTPQJNCODZHHH-UHFFFAOYSA-N -1 0 344.358 3.772 20 0 EHADRM CC[C@@]1(C)CCCN(C(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])C1 ZINC000669335301 1036542503 /nfs/dbraw/zinc/54/25/03/1036542503.db2.gz KNPLJVFOVBARHS-SFHVURJKSA-N -1 0 349.381 3.508 20 0 EHADRM COc1ccnc([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)c1 ZINC000535507714 1036571036 /nfs/dbraw/zinc/57/10/36/1036571036.db2.gz LJEJQJVKXUYNAP-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)NCc1ccc(O)c(F)c1 ZINC000175804627 1036573801 /nfs/dbraw/zinc/57/38/01/1036573801.db2.gz HPUREUZTVVUCQW-BBRMVZONSA-N -1 0 328.387 3.619 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1F ZINC000263166729 1036578570 /nfs/dbraw/zinc/57/85/70/1036578570.db2.gz IXMKPIGAKBGUHH-UHFFFAOYSA-N -1 0 341.382 3.903 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(C)=O)cn2)cc1 ZINC000535506099 1036586268 /nfs/dbraw/zinc/58/62/68/1036586268.db2.gz APSZMWJDUOBZBZ-UHFFFAOYSA-N -1 0 346.452 3.773 20 0 EHADRM CCC[C@H](CNC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000263199393 1036625770 /nfs/dbraw/zinc/62/57/70/1036625770.db2.gz NLQXZYBDTJMOMC-MWLCHTKSSA-N -1 0 332.227 3.714 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)Cc2c(Cl)cccc2Cl)s[n-]1 ZINC000589936815 1036668268 /nfs/dbraw/zinc/66/82/68/1036668268.db2.gz YMYCXUNZLDZQEZ-UHFFFAOYSA-N -1 0 344.267 3.746 20 0 EHADRM Cn1cc([C@H](N=c2[n-]nc(-c3ccccc3)s2)C(C)(C)C)cn1 ZINC000535592661 1036695895 /nfs/dbraw/zinc/69/58/95/1036695895.db2.gz GXWFKPWNUYRQAD-AWEZNQCLSA-N -1 0 327.457 3.560 20 0 EHADRM CC(C)COc1ccc(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1 ZINC000263259450 1036733611 /nfs/dbraw/zinc/73/36/11/1036733611.db2.gz UNDSITNIHLTTGQ-UHFFFAOYSA-N -1 0 345.370 3.740 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)/C=C\c2ccccc2OC(F)F)cc1 ZINC000493122778 1036738221 /nfs/dbraw/zinc/73/82/21/1036738221.db2.gz ULCRKCGYCYBUJU-YFHOEESVSA-N -1 0 347.317 3.567 20 0 EHADRM CC[C@H](CC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-])c1ccc(OC)cc1 ZINC000263270509 1036741470 /nfs/dbraw/zinc/74/14/70/1036741470.db2.gz LYWIKJKYAAMCKA-LIVBEALHSA-N -1 0 347.455 3.729 20 0 EHADRM Cc1cccc(OCCCCC(=O)NCc2ccc(C(=O)[O-])s2)c1 ZINC000263279150 1036746157 /nfs/dbraw/zinc/74/61/57/1036746157.db2.gz XBKJUIFJCXIFOZ-UHFFFAOYSA-N -1 0 347.436 3.620 20 0 EHADRM C[C@@H]1[C@@H](C)CCN1C(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000177085461 1036763430 /nfs/dbraw/zinc/76/34/30/1036763430.db2.gz FXTQYTGUZKYWQK-JGVFFNPUSA-N -1 0 332.625 3.679 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N2CCC[C@@H]2c2ccccc2Cl)cc1 ZINC000263322607 1036786666 /nfs/dbraw/zinc/78/66/66/1036786666.db2.gz JJVKOZRITIUPMP-QGZVFWFLSA-N -1 0 343.810 3.944 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc(C(=O)[O-])c(C)n2)cc1 ZINC000263351758 1036802850 /nfs/dbraw/zinc/80/28/50/1036802850.db2.gz PXBSEXRZJROEBF-SFHVURJKSA-N -1 0 338.407 3.764 20 0 EHADRM Cn1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)ccc2Cl)n1 ZINC000475834025 1036886318 /nfs/dbraw/zinc/88/63/18/1036886318.db2.gz PVOSJYABETZXBP-UHFFFAOYSA-N -1 0 347.827 3.541 20 0 EHADRM C[C@H](C(=O)N(CCC(=O)[O-])CC1CC1)c1c(Cl)cccc1Cl ZINC000666362134 1036921009 /nfs/dbraw/zinc/92/10/09/1036921009.db2.gz UMBXOUOHWXPWCG-JTQLQIEISA-N -1 0 344.238 3.810 20 0 EHADRM CCC(CC)c1cc(C(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])on1 ZINC000539568432 1036926598 /nfs/dbraw/zinc/92/65/98/1036926598.db2.gz SGKWEZDKHQNBKF-ZIAGYGMSSA-N -1 0 336.432 3.732 20 0 EHADRM C[C@@H](C(=O)N1CCC[C@](C)(C(=O)[O-])C1)c1c(Cl)cccc1Cl ZINC000666368258 1036928206 /nfs/dbraw/zinc/92/82/06/1036928206.db2.gz XJCJSJFHQAJDRO-HWPZZCPQSA-N -1 0 344.238 3.810 20 0 EHADRM CC[C@@](CNC(=O)c1cc(C)sc1C)(C(=O)[O-])c1ccccc1 ZINC000666371451 1036933422 /nfs/dbraw/zinc/93/34/22/1036933422.db2.gz GOPQAXFEFLDWNQ-SFHVURJKSA-N -1 0 331.437 3.527 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])c(F)c2)cc1 ZINC000263457903 1036946997 /nfs/dbraw/zinc/94/69/97/1036946997.db2.gz PLXOXXWYAZKACZ-OLZOCXBDSA-N -1 0 329.371 3.640 20 0 EHADRM O=C([O-])c1c[nH]c2cccc(-c3cccc(CO[C@H]4CCOC4)c3)c21 ZINC000519426143 1036975969 /nfs/dbraw/zinc/97/59/69/1036975969.db2.gz FYYLBNUHOGNKSU-HNNXBMFYSA-N -1 0 337.375 3.839 20 0 EHADRM CCc1cccc(CC(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC000263528826 1037046042 /nfs/dbraw/zinc/04/60/42/1037046042.db2.gz LKFBREGIVKVUFC-CQSZACIVSA-N -1 0 325.408 3.693 20 0 EHADRM CCCC[C@H](NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-])c1ccc(OC)cc1 ZINC000590797039 1037063151 /nfs/dbraw/zinc/06/31/51/1037063151.db2.gz SWKWBAMCXIFCAF-KURKYZTESA-N -1 0 345.439 3.710 20 0 EHADRM Fc1ccccc1-c1ccc(CN=c2[n-]nc(-c3ccco3)o2)o1 ZINC000539708846 1037097076 /nfs/dbraw/zinc/09/70/76/1037097076.db2.gz PMEMFJMQXAZFEA-UHFFFAOYSA-N -1 0 325.299 3.763 20 0 EHADRM C/C(=C/c1cccc(Cl)c1)C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000761573882 1037167371 /nfs/dbraw/zinc/16/73/71/1037167371.db2.gz HCNASRRMCPBYDV-UVTDQMKNSA-N -1 0 343.810 3.857 20 0 EHADRM COCCc1ccccc1[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC000414382523 1037168882 /nfs/dbraw/zinc/16/88/82/1037168882.db2.gz OPUZEKWAFUCXNY-UHFFFAOYSA-N -1 0 339.844 3.638 20 0 EHADRM O=C([O-])CCCCNC(=O)NCc1cccc(Oc2ccccc2)c1 ZINC000666517642 1037176072 /nfs/dbraw/zinc/17/60/72/1037176072.db2.gz GGQQPMIIJPIDAX-UHFFFAOYSA-N -1 0 342.395 3.533 20 0 EHADRM Cc1ccc2c(CCC(=O)N=c3nc(C(C)(C)C)[n-]s3)c[nH]c2c1 ZINC000465134292 1037180856 /nfs/dbraw/zinc/18/08/56/1037180856.db2.gz WWABHRCDQPCMCD-UHFFFAOYSA-N -1 0 342.468 3.619 20 0 EHADRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cnoc2C2CC2)cc1Cl ZINC000414386736 1037203683 /nfs/dbraw/zinc/20/36/83/1037203683.db2.gz IARQPHLZUPYUNZ-UHFFFAOYSA-N -1 0 347.223 3.968 20 0 EHADRM O=C([O-])CCCCNC(=O)N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000666557646 1037208922 /nfs/dbraw/zinc/20/89/22/1037208922.db2.gz QWNYZLICTFFXNX-OAHLLOKOSA-N -1 0 338.835 3.832 20 0 EHADRM O=S(=O)([N-]c1cnoc1C1CC1)c1cccc(Cl)c1Cl ZINC000414388373 1037229167 /nfs/dbraw/zinc/22/91/67/1037229167.db2.gz YYZDUDWVQGSSPA-UHFFFAOYSA-N -1 0 333.196 3.660 20 0 EHADRM CC1(CNC(=O)CC2(CC(=O)[O-])CCCCC2)Cc2ccccc2C1 ZINC000539828345 1037251380 /nfs/dbraw/zinc/25/13/80/1037251380.db2.gz FNZIOUNLLYGFDC-UHFFFAOYSA-N -1 0 343.467 3.723 20 0 EHADRM CC(C)[C@@H](SCc1ccccc1)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000610853105 1037255293 /nfs/dbraw/zinc/25/52/93/1037255293.db2.gz KPLRZZVTVDHTFA-MRXNPFEDSA-N -1 0 349.496 3.706 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)cc1 ZINC000659118079 1037290035 /nfs/dbraw/zinc/29/00/35/1037290035.db2.gz TWBGOWPSXMJMKW-MJQMVNBJSA-N -1 0 345.439 3.544 20 0 EHADRM Cc1cc(Cl)c(C(=O)N2CCc3cc(C(=O)[O-])ccc32)cc1C ZINC000761418630 1037298114 /nfs/dbraw/zinc/29/81/14/1037298114.db2.gz FRDRUSKEEDEASV-UHFFFAOYSA-N -1 0 329.783 3.858 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCSC[C@H]1c1ccc(C)cc1 ZINC000659122985 1037301876 /nfs/dbraw/zinc/30/18/76/1037301876.db2.gz RBRTVGDOCVSDNI-HNNXBMFYSA-N -1 0 345.420 3.525 20 0 EHADRM CCCCc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000007055361 1037388311 /nfs/dbraw/zinc/38/83/11/1037388311.db2.gz APWLUWFPTYJHSE-UHFFFAOYSA-N -1 0 333.409 3.528 20 0 EHADRM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000007055836 1037389662 /nfs/dbraw/zinc/38/96/62/1037389662.db2.gz LJWPMOOKQGGGCM-UHFFFAOYSA-N -1 0 349.452 3.902 20 0 EHADRM CC[C@H](CNC(=O)c1cc2cc(C(F)(F)F)ccc2s1)C(=O)[O-] ZINC000659162952 1037407333 /nfs/dbraw/zinc/40/73/33/1037407333.db2.gz FDVBUMUGGLELFV-MRVPVSSYSA-N -1 0 345.342 3.761 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@@H](c2ccccc2)C2CCC2)s1 ZINC000591481334 1037444933 /nfs/dbraw/zinc/44/49/33/1037444933.db2.gz QYUSNOPAOMIOGS-HNNXBMFYSA-N -1 0 330.457 3.575 20 0 EHADRM Cc1nc(-c2ccccc2)sc1NC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC000653286871 1037487312 /nfs/dbraw/zinc/48/73/12/1037487312.db2.gz HDOCGMCEFFAUKN-GOSISDBHSA-N -1 0 342.420 3.868 20 0 EHADRM CCc1ccccc1NC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000462892868 1037520062 /nfs/dbraw/zinc/52/00/62/1037520062.db2.gz CIVHHSANZDUCAH-UHFFFAOYSA-N -1 0 348.196 3.962 20 0 EHADRM N#C/C(=C\c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000023718556 1037549334 /nfs/dbraw/zinc/54/93/34/1037549334.db2.gz ZMFIHGKEIBRMHX-YRNVUSSQSA-N -1 0 328.255 3.518 20 0 EHADRM COc1cccc(S(=O)(=O)[N-]C(=O)c2cccc3ccccc32)c1 ZINC000058187594 1037569341 /nfs/dbraw/zinc/56/93/41/1037569341.db2.gz JXJGUGAOKKKMNI-UHFFFAOYSA-N -1 0 341.388 3.542 20 0 EHADRM Cc1ccc2cc(Cl)cc(C(=O)N[C@@H]3CCC[C@@]3(C)C(=O)[O-])c2n1 ZINC000659244013 1037574233 /nfs/dbraw/zinc/57/42/33/1037574233.db2.gz YLBPUUIOSKLNIB-RDTXWAMCSA-N -1 0 346.814 3.570 20 0 EHADRM O=S(=O)([N-]c1ccc2ccccc2n1)c1ccc(F)c(Cl)c1 ZINC000591769009 1037612106 /nfs/dbraw/zinc/61/21/06/1037612106.db2.gz BVUBZUBBCFKLKY-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM Cc1cccc(NC(=O)C[C@@H](C)Nc2cccc(CC(=O)[O-])c2)c1C ZINC000573575721 1037619782 /nfs/dbraw/zinc/61/97/82/1037619782.db2.gz MOGULCDWUCCFRA-CQSZACIVSA-N -1 0 340.423 3.760 20 0 EHADRM Cc1c(CNC(=O)NC(C)(C)C(=O)[O-])sc2ccc(Cl)cc12 ZINC000573683206 1037661984 /nfs/dbraw/zinc/66/19/84/1037661984.db2.gz VPDRWMVJIMKUAU-UHFFFAOYSA-N -1 0 340.832 3.526 20 0 EHADRM Cc1ccc(-c2cc(CN3Cc4ccccc4C[C@H]3C(=O)[O-])on2)cc1 ZINC000573654328 1037673139 /nfs/dbraw/zinc/67/31/39/1037673139.db2.gz OIGHZSVPRSCOFR-FQEVSTJZSA-N -1 0 348.402 3.662 20 0 EHADRM CCc1ccc(O)c([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c1 ZINC000540217360 1037703810 /nfs/dbraw/zinc/70/38/10/1037703810.db2.gz MQHFUWOVYOFELL-UHFFFAOYSA-N -1 0 335.425 3.543 20 0 EHADRM Cc1nscc1C(=O)Nc1nnc(-c2cc(C)cc(C)c2)s1 ZINC000182015331 1037721876 /nfs/dbraw/zinc/72/18/76/1037721876.db2.gz PXQZCCUXKCPLNQ-UHFFFAOYSA-N -1 0 330.438 3.839 20 0 EHADRM C[C@H](CN=c1nc(-c2ccccc2)[n-]s1)Oc1ccccc1F ZINC000463075066 1037742007 /nfs/dbraw/zinc/74/20/07/1037742007.db2.gz MPOJVXDYGHQWIU-GFCCVEGCSA-N -1 0 329.400 3.646 20 0 EHADRM O=C(Cc1ccc2c(c1)CCO2)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000463115233 1037769229 /nfs/dbraw/zinc/76/92/29/1037769229.db2.gz KWCRRZRJFFRELX-UHFFFAOYSA-N -1 0 338.190 3.815 20 0 EHADRM CCN(C(=O)c1nn(-c2cc(C)ccc2F)cc1[O-])[C@@H](C)C(C)C ZINC000573861181 1037787227 /nfs/dbraw/zinc/78/72/27/1037787227.db2.gz HHZLFAWYAHCZDF-ZDUSSCGKSA-N -1 0 333.407 3.532 20 0 EHADRM CCCCCOc1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000491922170 1037787642 /nfs/dbraw/zinc/78/76/42/1037787642.db2.gz SKQVXNHCTCEOQW-UHFFFAOYSA-N -1 0 341.407 3.884 20 0 EHADRM O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)c1c(F)ccc(O)c1F ZINC000343852538 1037882592 /nfs/dbraw/zinc/88/25/92/1037882592.db2.gz KOTRBKXBRGVPBV-UHFFFAOYSA-N -1 0 339.248 3.737 20 0 EHADRM COc1ccc(-c2n[n-]c(=NCc3ccc4ccccc4c3)o2)cc1 ZINC000463248710 1037935278 /nfs/dbraw/zinc/93/52/78/1037935278.db2.gz WTWRRTCDFWTZRI-UHFFFAOYSA-N -1 0 331.375 3.932 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccccc2N2CCCC2)CCCCC1 ZINC000391778469 1037938387 /nfs/dbraw/zinc/93/83/87/1037938387.db2.gz LWCMWQJGVPKNSH-UHFFFAOYSA-N -1 0 330.428 3.651 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCC[C@@H]1C1CCCCC1 ZINC000183439787 1037950649 /nfs/dbraw/zinc/95/06/49/1037950649.db2.gz MAAMQIIBYFDGAK-CYBMUJFWSA-N -1 0 327.346 3.994 20 0 EHADRM COc1ccc(-c2n[n-]c(=NCc3cc(Cl)ccc3F)o2)cc1 ZINC000463252589 1037953464 /nfs/dbraw/zinc/95/34/64/1037953464.db2.gz PZXXOHYTSDBBJG-UHFFFAOYSA-N -1 0 333.750 3.572 20 0 EHADRM Cc1ccc(-c2n[n-]c(=NCc3ccc(OC(C)C)cc3)o2)s1 ZINC000463251805 1037955020 /nfs/dbraw/zinc/95/50/20/1037955020.db2.gz WATAFEHQWPUTMN-UHFFFAOYSA-N -1 0 329.425 3.928 20 0 EHADRM CCOc1cccc(-c2noc(C(=O)[N-]c3c(F)cccc3F)n2)c1 ZINC001212171651 1038053335 /nfs/dbraw/zinc/05/33/35/1038053335.db2.gz YLXHXWLFCRTMTP-UHFFFAOYSA-N -1 0 345.305 3.666 20 0 EHADRM NC(=O)c1cccc(-c2ccc(CCCCCC(=O)[O-])cc2)c1F ZINC000520429239 1038128189 /nfs/dbraw/zinc/12/81/89/1038128189.db2.gz LBEVMDQVLVCXPJ-UHFFFAOYSA-N -1 0 329.371 3.779 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cccc(N(C)C)c2C)c1Cl ZINC000181153633 1038349149 /nfs/dbraw/zinc/34/91/49/1038349149.db2.gz WPJPVJUZTHFTTP-UHFFFAOYSA-N -1 0 338.860 3.824 20 0 EHADRM CC(C)Oc1cccc(CC(=O)N[C@@H](CC(=O)[O-])C2CCCCC2)c1 ZINC000538514568 1038355592 /nfs/dbraw/zinc/35/55/92/1038355592.db2.gz KNLWIVYINHGWTC-SFHVURJKSA-N -1 0 347.455 3.556 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000538576305 1038400356 /nfs/dbraw/zinc/40/03/56/1038400356.db2.gz XZCQKYMMTQWNHY-HNNXBMFYSA-N -1 0 349.446 3.936 20 0 EHADRM c1ccc(-c2ncc(CN=c3[n-]nc(C4CCCCC4)o3)cn2)cc1 ZINC000538609684 1038437493 /nfs/dbraw/zinc/43/74/93/1038437493.db2.gz XEZDMGQOEIVRKI-UHFFFAOYSA-N -1 0 335.411 3.608 20 0 EHADRM Cc1ccc(CC(C)(C)NC(=O)c2cc(F)c(F)c([O-])c2F)cc1 ZINC000416283772 1038469272 /nfs/dbraw/zinc/46/92/72/1038469272.db2.gz ROFSOOPXBUJXMZ-UHFFFAOYSA-N -1 0 337.341 3.869 20 0 EHADRM COc1ccc2nc(/C=C/c3cccc4nccn43)cc(C(=O)[O-])c2c1 ZINC000538754943 1038517385 /nfs/dbraw/zinc/51/73/85/1038517385.db2.gz PTIMRJUNIGGRAM-AATRIKPKSA-N -1 0 345.358 3.760 20 0 EHADRM C[C@]1(NC(=O)CCCc2ccc(Cl)cc2)CCCC[C@@H]1C(=O)[O-] ZINC000431865077 1038563310 /nfs/dbraw/zinc/56/33/10/1038563310.db2.gz ZVHJNHRSWVMYEU-QAPCUYQASA-N -1 0 337.847 3.812 20 0 EHADRM CCCc1nc(=NCc2cc(Cl)c(OCC)c(OC)c2)s[n-]1 ZINC000461784769 1038609338 /nfs/dbraw/zinc/60/93/38/1038609338.db2.gz MMUOVISJGMPCRA-UHFFFAOYSA-N -1 0 341.864 3.585 20 0 EHADRM Cn1cc(/C=C/c2nc3c(cccc3C(=O)[O-])o2)c(C(C)(C)C)n1 ZINC000416386617 1038614283 /nfs/dbraw/zinc/61/42/83/1038614283.db2.gz IOEGNWVZBXKVRL-CMDGGOBGSA-N -1 0 325.368 3.727 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000431868676 1038620697 /nfs/dbraw/zinc/62/06/97/1038620697.db2.gz OFEMPPPWVROYDU-OAHLLOKOSA-N -1 0 335.469 3.709 20 0 EHADRM CCn1nncc1/C=C(/CCCC(=O)[O-])c1nc2ccccc2s1 ZINC000416394351 1038627191 /nfs/dbraw/zinc/62/71/91/1038627191.db2.gz XCJQKNRUKSDRRS-BENRWUELSA-N -1 0 342.424 3.703 20 0 EHADRM O=C([O-])[C@@H]1CCCN(c2nc3cc(C(F)(F)F)ccc3s2)C1 ZINC000416403055 1038632387 /nfs/dbraw/zinc/63/23/87/1038632387.db2.gz QHWLKQQWPDUTMN-MRVPVSSYSA-N -1 0 330.331 3.616 20 0 EHADRM CCCc1nc(=N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)s[n-]1 ZINC000461954350 1038692927 /nfs/dbraw/zinc/69/29/27/1038692927.db2.gz CYOLUNNFKOPAEV-JSGCOSHPSA-N -1 0 341.839 3.647 20 0 EHADRM CCCc1nc(=N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)s[n-]1 ZINC000461954351 1038692972 /nfs/dbraw/zinc/69/29/72/1038692972.db2.gz CYOLUNNFKOPAEV-OCCSQVGLSA-N -1 0 341.839 3.647 20 0 EHADRM Cc1cc(C)c(CC(=O)N=c2nc(-c3ccsc3)[n-]s2)c(C)c1 ZINC000539137179 1038706961 /nfs/dbraw/zinc/70/69/61/1038706961.db2.gz LYLXITWJPUQFAQ-UHFFFAOYSA-N -1 0 343.477 3.795 20 0 EHADRM CSCc1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000609459832 1038746439 /nfs/dbraw/zinc/74/64/39/1038746439.db2.gz WERKIUQYZHMFNC-UHFFFAOYSA-N -1 0 347.383 3.768 20 0 EHADRM O=C([O-])c1ccc(F)c2c1CN(C(=O)[C@@H]1CCC=CCCC1)CC2 ZINC000910209511 1038779265 /nfs/dbraw/zinc/77/92/65/1038779265.db2.gz PHSALHKPLJZRFI-CYBMUJFWSA-N -1 0 331.387 3.545 20 0 EHADRM COc1cccc([C@@H](C)CCCC(=O)N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)c1 ZINC000910261293 1038781334 /nfs/dbraw/zinc/78/13/34/1038781334.db2.gz VJJDGRWWXXEOME-BXTJHSDWSA-N -1 0 347.455 3.538 20 0 EHADRM C[C@@H](c1ccc(C(=O)N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)cc1)C(F)(F)F ZINC000910261302 1038781786 /nfs/dbraw/zinc/78/17/86/1038781786.db2.gz VRHRUKBBCYLSPM-OHUAYANFSA-N -1 0 343.345 3.535 20 0 EHADRM Cc1nc([N-]S(=O)(=O)/C=C/c2cccc(Cl)c2)sc1C ZINC000184189474 1038790294 /nfs/dbraw/zinc/79/02/94/1038790294.db2.gz JDUVQAQYQYIVJW-VOTSOKGWSA-N -1 0 328.846 3.826 20 0 EHADRM COc1ccc(CCC(=O)Nc2cc(Cl)c([O-])cc2F)cc1F ZINC000554011746 1038798699 /nfs/dbraw/zinc/79/86/99/1038798699.db2.gz HLMGCQUGEDWVGG-UHFFFAOYSA-N -1 0 341.741 3.904 20 0 EHADRM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000910302170 1038818752 /nfs/dbraw/zinc/81/87/52/1038818752.db2.gz DLJBZYBNQHFKTJ-OWCLPIDISA-N -1 0 347.459 3.520 20 0 EHADRM Cc1nc(C2CCN(C(=O)/C=C3/CC[C@@H](C)C3)CC2)sc1C(=O)[O-] ZINC000910358069 1038854127 /nfs/dbraw/zinc/85/41/27/1038854127.db2.gz QDCHLKRVZKRBFF-COVOJHCQSA-N -1 0 348.468 3.602 20 0 EHADRM Cc1cccc([C@@H](NCc2ccn(C3CCCC3)n2)C(=O)[O-])c1C ZINC000905399419 1038855602 /nfs/dbraw/zinc/85/56/02/1038855602.db2.gz IHEBPTAAAKOBJQ-GOSISDBHSA-N -1 0 327.428 3.531 20 0 EHADRM CC(=O)[C@H](NS(=O)(=O)c1ccccc1C(C)C)c1ccccc1F ZINC000416654019 1038867256 /nfs/dbraw/zinc/86/72/56/1038867256.db2.gz UXIUMRCNJXJKSE-SFHVURJKSA-N -1 0 349.427 3.558 20 0 EHADRM CC[C@H](NC(=O)C(F)(F)c1c(F)cccc1F)c1ccccn1 ZINC000910351131 1038875501 /nfs/dbraw/zinc/87/55/01/1038875501.db2.gz KKIQKYQWFAMLLA-LBPRGKRZSA-N -1 0 326.293 3.719 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000910478209 1038932858 /nfs/dbraw/zinc/93/28/58/1038932858.db2.gz LAPFHFQLSLRMAB-JKSUJKDBSA-N -1 0 327.380 3.754 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000910605164 1038988967 /nfs/dbraw/zinc/98/89/67/1038988967.db2.gz CEKSUUSYYDWPLI-HZGVNTEJSA-N -1 0 344.219 3.659 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2cnn(CC(C)C)c2C(C)C)c1 ZINC000910649400 1039001834 /nfs/dbraw/zinc/00/18/34/1039001834.db2.gz WEBRGXBMRDXIGS-UHFFFAOYSA-N -1 0 343.427 3.921 20 0 EHADRM O=C([O-])Cc1cnc(NC(=O)c2cccc(C3CCCC3)c2)s1 ZINC000910669813 1039012550 /nfs/dbraw/zinc/01/25/50/1039012550.db2.gz JBMQGURXSJBBPQ-UHFFFAOYSA-N -1 0 330.409 3.680 20 0 EHADRM O=C(N=c1nc(-c2ccccc2Cl)[n-]s1)[C@@H]1CCC(F)(F)C1 ZINC000480023076 1039024151 /nfs/dbraw/zinc/02/41/51/1039024151.db2.gz XGRGQDSWOCDLQG-MRVPVSSYSA-N -1 0 343.786 3.654 20 0 EHADRM Cc1ccc(NC(=O)[C@H](C)Sc2nc(C)c(C)c(=O)[nH]2)cc1C ZINC000554183320 1039030041 /nfs/dbraw/zinc/03/00/41/1039030041.db2.gz BDNKBEORLJCOMR-ZDUSSCGKSA-N -1 0 331.441 3.535 20 0 EHADRM CC(=O)c1ccc(F)c(-c2cnc(OCC3CC3)c(C(=O)[O-])c2)c1 ZINC000570107090 1039041866 /nfs/dbraw/zinc/04/18/66/1039041866.db2.gz JEHPVFFBXUCYKR-UHFFFAOYSA-N -1 0 329.327 3.577 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)CC)c1 ZINC000195600526 1039042963 /nfs/dbraw/zinc/04/29/63/1039042963.db2.gz FMMRKPGMHLRBKB-UHFFFAOYSA-N -1 0 347.436 3.869 20 0 EHADRM Cc1ccccc1-n1nccc1/C=C\c1ncc(C(=O)[O-])c(C(C)C)n1 ZINC000480025260 1039050554 /nfs/dbraw/zinc/05/05/54/1039050554.db2.gz WDKSKLWJPLYTEE-HJWRWDBZSA-N -1 0 348.406 3.963 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CCCCCC3)cc1 ZINC000195638776 1039062383 /nfs/dbraw/zinc/06/23/83/1039062383.db2.gz USHFQLINLFSMKU-UHFFFAOYSA-N -1 0 336.482 3.911 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1cnn(CCC(C)C)c1C ZINC000488289991 1039073263 /nfs/dbraw/zinc/07/32/63/1039073263.db2.gz WEDKKLUDZBSJKG-UHFFFAOYSA-N -1 0 335.473 3.601 20 0 EHADRM Cc1cc(C)c2cc(C(=O)N=c3[n-]nc(C(C)(C)C)s3)sc2n1 ZINC000615153172 1039078662 /nfs/dbraw/zinc/07/86/62/1039078662.db2.gz GUTHVQVUZYDMNO-UHFFFAOYSA-N -1 0 346.481 3.736 20 0 EHADRM Cc1cc(C(=O)NC2CC(CC(=O)[O-])C2)sc1-c1ccc(F)cc1 ZINC000910809102 1039103559 /nfs/dbraw/zinc/10/35/59/1039103559.db2.gz ACMADLNVUVAHGQ-UHFFFAOYSA-N -1 0 347.411 3.846 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC000910950641 1039153948 /nfs/dbraw/zinc/15/39/48/1039153948.db2.gz ZGZYIMPLYJAPTO-CQSZACIVSA-N -1 0 337.441 3.783 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cnc([C@H]2CCCO2)s1 ZINC000910953009 1039154765 /nfs/dbraw/zinc/15/47/65/1039154765.db2.gz HIAGWKYVHAQTQX-CYBMUJFWSA-N -1 0 346.408 3.508 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)OCc1ccc(F)cc1 ZINC000910957732 1039156865 /nfs/dbraw/zinc/15/68/65/1039156865.db2.gz CVZOETBRWPDKFM-GFCCVEGCSA-N -1 0 345.370 3.630 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1ccn(C(CC)CC)n1 ZINC000910958288 1039156885 /nfs/dbraw/zinc/15/68/85/1039156885.db2.gz IFMKDYOVJHXHLQ-UHFFFAOYSA-N -1 0 329.400 3.757 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cccc(N2CCCC2)c1 ZINC000910960203 1039160804 /nfs/dbraw/zinc/16/08/04/1039160804.db2.gz ZESDLRREWMSLCA-UHFFFAOYSA-N -1 0 338.407 3.800 20 0 EHADRM CCN(C(=O)CCc1ccc(OC)c(F)c1)c1cccc(C(=O)[O-])c1 ZINC000910977799 1039177303 /nfs/dbraw/zinc/17/73/03/1039177303.db2.gz ULWOOHNXKLUPEE-UHFFFAOYSA-N -1 0 345.370 3.518 20 0 EHADRM C[C@@H](CC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)CC1)C1CCCCC1 ZINC000911018795 1039187311 /nfs/dbraw/zinc/18/73/11/1039187311.db2.gz MCSWSKPPMUEEPX-LBPRGKRZSA-N -1 0 349.393 3.849 20 0 EHADRM O=C([O-])C1(C(F)(F)F)CCN(C(=O)/C=C\C2CCCCCC2)CC1 ZINC000911021423 1039189604 /nfs/dbraw/zinc/18/96/04/1039189604.db2.gz PLCYCLSVUMLZGO-FPLPWBNLSA-N -1 0 347.377 3.769 20 0 EHADRM O=S(=O)([N-]c1ccc2ccccc2c1)c1cnc(Cl)c(F)c1 ZINC000320304019 1039198607 /nfs/dbraw/zinc/19/86/07/1039198607.db2.gz FBBAQRPLFRCJLV-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCC[C@@]1(C)Cc1cc(Cl)cs1 ZINC000911061566 1039220229 /nfs/dbraw/zinc/22/02/29/1039220229.db2.gz JUFXUOSBGOEANA-BZNIZROVSA-N -1 0 343.876 3.826 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-][C@@H](c1cccc(C)c1)C(F)(F)F ZINC000512458839 1039226166 /nfs/dbraw/zinc/22/61/66/1039226166.db2.gz ABKRAKOKXYIUAZ-LBPRGKRZSA-N -1 0 349.399 3.947 20 0 EHADRM CC(C)(C)c1nc(CC(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)cs1 ZINC000236630031 1039231928 /nfs/dbraw/zinc/23/19/28/1039231928.db2.gz NUURXVFRNCQVPF-RMKNXTFCSA-N -1 0 344.436 3.720 20 0 EHADRM CCCCC[C@H](NC(=O)c1ccc(Br)cc1C)C(=O)[O-] ZINC000236669844 1039237178 /nfs/dbraw/zinc/23/71/78/1039237178.db2.gz IIVMDEJIUZPHAP-ZDUSSCGKSA-N -1 0 342.233 3.521 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)c1ccn(C2CCCC2)n1)C(=O)[O-] ZINC000236707566 1039242571 /nfs/dbraw/zinc/24/25/71/1039242571.db2.gz VOOVGAXCUVTQKW-GOSISDBHSA-N -1 0 335.448 3.542 20 0 EHADRM FC(F)(F)[C@H]1CCC[C@H](CN=c2[n-]nc(-c3ccccn3)s2)C1 ZINC000545473845 1039267494 /nfs/dbraw/zinc/26/74/94/1039267494.db2.gz CANXCPZKXXFGCR-QWRGUYRKSA-N -1 0 342.390 3.803 20 0 EHADRM CN(C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])[C@H]1CCC(C)(C)C1 ZINC000478180895 1039278664 /nfs/dbraw/zinc/27/86/64/1039278664.db2.gz KDMHCTUNRXSYAB-AWEZNQCLSA-N -1 0 347.846 3.882 20 0 EHADRM CCc1c([N-]S(=O)(=O)c2sccc2C)cnn1C(CC)CC ZINC000480199543 1039283729 /nfs/dbraw/zinc/28/37/29/1039283729.db2.gz LTDUNHZQWRFGPC-UHFFFAOYSA-N -1 0 341.502 3.977 20 0 EHADRM CCC(CC)(CC(=O)NCCCCc1ccc(F)c(F)c1)C(=O)[O-] ZINC000478199580 1039295085 /nfs/dbraw/zinc/29/50/85/1039295085.db2.gz OXDFRRZSIMDHTL-UHFFFAOYSA-N -1 0 341.398 3.685 20 0 EHADRM CC(=C([O-])c1ccccc1)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000391477139 1039297917 /nfs/dbraw/zinc/29/79/17/1039297917.db2.gz PLYYHVNCXOQUFM-LLVKDONJSA-N -1 0 342.338 3.751 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)oc1C(=O)[O-] ZINC000911227332 1039302157 /nfs/dbraw/zinc/30/21/57/1039302157.db2.gz BZUDJNSEGMCAGJ-UHFFFAOYSA-N -1 0 342.395 3.775 20 0 EHADRM CCc1c([N-]c2nc(C3CCOCC3)ns2)cnn1CCC(C)C ZINC000663840704 1039305097 /nfs/dbraw/zinc/30/50/97/1039305097.db2.gz BWXVDHZIBMYUMJ-UHFFFAOYSA-N -1 0 349.504 3.981 20 0 EHADRM C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000554407735 1039312469 /nfs/dbraw/zinc/31/24/69/1039312469.db2.gz UUBBNWFOXHZKLF-RYUDHWBXSA-N -1 0 348.472 3.899 20 0 EHADRM CC(C)CC(=O)N(Cc1ccoc1C(=O)[O-])[C@H](C)c1ccccn1 ZINC000911327060 1039322850 /nfs/dbraw/zinc/32/28/50/1039322850.db2.gz JHPLFHNMLJBVQF-CYBMUJFWSA-N -1 0 330.384 3.509 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000237382247 1039353339 /nfs/dbraw/zinc/35/33/39/1039353339.db2.gz BQKWTAYNRCOFOL-OAHLLOKOSA-N -1 0 325.408 3.578 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)[C@H](C)c1cccc(F)c1 ZINC000237483713 1039374186 /nfs/dbraw/zinc/37/41/86/1039374186.db2.gz FKXOHVJAWOBTCQ-CXAGYDPISA-N -1 0 329.371 3.570 20 0 EHADRM CC(C)Oc1ccc(NC(=O)c2ccoc2CC(=O)[O-])c(Cl)c1 ZINC000911475006 1039377257 /nfs/dbraw/zinc/37/72/57/1039377257.db2.gz ZHPSWAFLLWKCBN-UHFFFAOYSA-N -1 0 337.759 3.600 20 0 EHADRM C[C@@H](N=c1nc(-c2ccccc2)[n-]s1)[C@H]1OCCc2sccc21 ZINC000488747506 1039381587 /nfs/dbraw/zinc/38/15/87/1039381587.db2.gz OIMAKKKTECKXBV-IAQYHMDHSA-N -1 0 343.477 3.803 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)[N-]S(=O)(=O)CCCF ZINC000080314009 1039383741 /nfs/dbraw/zinc/38/37/41/1039383741.db2.gz ZUBZEOPSLPIADO-CQSZACIVSA-N -1 0 345.436 3.613 20 0 EHADRM Cc1nc(C(=O)Nc2ccc(F)cc2OC(C)(C)C)ccc1C(=O)[O-] ZINC000911498581 1039394256 /nfs/dbraw/zinc/39/42/56/1039394256.db2.gz XRAYABPAJSLJKO-UHFFFAOYSA-N -1 0 346.358 3.657 20 0 EHADRM CC(C)(CCC(=O)[O-])C(=O)N1CCn2c(cc3c2cccc3Cl)C1 ZINC000911591626 1039433863 /nfs/dbraw/zinc/43/38/63/1039433863.db2.gz LVFCLZXMBSULDP-UHFFFAOYSA-N -1 0 348.830 3.528 20 0 EHADRM C/C(=C/C1CCC(C)CC1)C(=O)N[C@](C)(CC(=O)[O-])c1ccncc1 ZINC000911626725 1039439115 /nfs/dbraw/zinc/43/91/15/1039439115.db2.gz ULMUXHLRZSPZCI-ZLGNFKMMSA-N -1 0 344.455 3.660 20 0 EHADRM Cc1c2cc(C)ccc2sc1C(=O)N=c1ccc(OC(C)C)n[n-]1 ZINC000485711272 1039450737 /nfs/dbraw/zinc/45/07/37/1039450737.db2.gz JBSLLDRMLLNYKR-UHFFFAOYSA-N -1 0 341.436 3.770 20 0 EHADRM CC[C@H](C)[C@H]([N-]S(=O)(=O)Cc1ccc(C)cc1F)C(F)(F)F ZINC000480341626 1039457304 /nfs/dbraw/zinc/45/73/04/1039457304.db2.gz KBQOSGDVFPVAQF-GWCFXTLKSA-N -1 0 341.370 3.531 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NC12CCC(C(F)(F)F)(CC1)CC2 ZINC000911696855 1039466847 /nfs/dbraw/zinc/46/68/47/1039466847.db2.gz GCDLRKCAFCPAJG-UHFFFAOYSA-N -1 0 335.366 3.649 20 0 EHADRM CC(C)Oc1c(NC(=O)C=C2CCSCC2)cccc1C(=O)[O-] ZINC000911738449 1039479374 /nfs/dbraw/zinc/47/93/74/1039479374.db2.gz UPVQSOHJDLEGLS-UHFFFAOYSA-N -1 0 335.425 3.564 20 0 EHADRM Cc1cc(-c2ncco2)ccc1NC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC000911745686 1039483993 /nfs/dbraw/zinc/48/39/93/1039483993.db2.gz AWOPLJDOSKNXMM-UHFFFAOYSA-N -1 0 340.379 3.624 20 0 EHADRM O=C([O-])CCCCCNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000238153003 1039500859 /nfs/dbraw/zinc/50/08/59/1039500859.db2.gz VBTNCTRRCHWVAH-NEPJUHHUSA-N -1 0 344.238 3.858 20 0 EHADRM CCC[C@@H](NC(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl)C(=O)[O-] ZINC000554603440 1039512658 /nfs/dbraw/zinc/51/26/58/1039512658.db2.gz YVRDOHUYIACZKO-NWDGAFQWSA-N -1 0 345.226 3.533 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccnn2CCC(C)C)c(C)c1 ZINC000552816923 1039545778 /nfs/dbraw/zinc/54/57/78/1039545778.db2.gz SAWHYWFIQMNINJ-UHFFFAOYSA-N -1 0 335.473 3.655 20 0 EHADRM COCc1n[n-]c(=N[C@H]2C[C@H]3CCC(C)(C)c4cccc2c43)s1 ZINC000345078107 1039625076 /nfs/dbraw/zinc/62/50/76/1039625076.db2.gz IUVJJGZCGTVDNY-RISCZKNCSA-N -1 0 329.469 3.818 20 0 EHADRM C[C@@H](CN(C)C(=O)CC1(CCc2ccccc2)CCCC1)C(=O)[O-] ZINC000485881701 1039645891 /nfs/dbraw/zinc/64/58/91/1039645891.db2.gz GOTBNGRWTBTTCS-INIZCTEOSA-N -1 0 331.456 3.749 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CC2(CCC2)[C@@H]1c1cccnc1 ZINC000912043443 1039659516 /nfs/dbraw/zinc/65/95/16/1039659516.db2.gz WTOAQHPSTZHXON-INIZCTEOSA-N -1 0 348.324 3.572 20 0 EHADRM CC1(C)[C@H](NC(=O)c2c([O-])cc(Cl)cc2Cl)[C@@H]2CCCO[C@@H]21 ZINC000408410092 1039674443 /nfs/dbraw/zinc/67/44/43/1039674443.db2.gz JJAJZZYSOSNWRZ-FZZIBODNSA-N -1 0 344.238 3.632 20 0 EHADRM C[C@](CC(=O)N1CCC[C@H]1c1ccsc1)(C(=O)[O-])c1ccccc1 ZINC000324586515 1039709570 /nfs/dbraw/zinc/70/95/70/1039709570.db2.gz CKGFAPNZGRFZRB-QFBILLFUSA-N -1 0 343.448 3.844 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1ccc2ccccc2c1)Cc1ccccc1 ZINC000485957657 1039722677 /nfs/dbraw/zinc/72/26/77/1039722677.db2.gz ORVBLUGQIDDIFK-IBGZPJMESA-N -1 0 333.387 3.513 20 0 EHADRM Clc1cccc(-c2noc(=NCc3ccc4ncccc4c3)[n-]2)c1 ZINC000480582484 1039728557 /nfs/dbraw/zinc/72/85/57/1039728557.db2.gz UBJICETXWFYPAB-UHFFFAOYSA-N -1 0 336.782 3.972 20 0 EHADRM Cc1csc(C(=O)Nc2cc(-c3n[nH]c(=O)[n-]3)ccc2C)c1Cl ZINC000549732840 1039746335 /nfs/dbraw/zinc/74/63/35/1039746335.db2.gz UGIDBHXDOAKSIQ-UHFFFAOYSA-N -1 0 348.815 3.761 20 0 EHADRM Cc1ccc(C(C)(C)CC(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1 ZINC000478870878 1039774697 /nfs/dbraw/zinc/77/46/97/1039774697.db2.gz TUYHAUQEZREFCQ-NXHRZFHOSA-N -1 0 343.467 3.907 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)s1 ZINC000324657378 1039802172 /nfs/dbraw/zinc/80/21/72/1039802172.db2.gz HGQNWERSHUFEEK-YJYMSZOUSA-N -1 0 345.464 3.536 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)c2[nH]c3ccc(C)cc3c2C)s1 ZINC000480656719 1039842951 /nfs/dbraw/zinc/84/29/51/1039842951.db2.gz CHFAJXIILDAOBW-UHFFFAOYSA-N -1 0 328.441 3.653 20 0 EHADRM CCCc1nc(C)c([N-]S(=O)(=O)c2ccc(Cl)s2)s1 ZINC000486130546 1039913596 /nfs/dbraw/zinc/91/35/96/1039913596.db2.gz TUDDHUNFCAUBMT-UHFFFAOYSA-N -1 0 336.891 3.920 20 0 EHADRM CSc1ccc(CN[C@@]2(C(=O)[O-])CCc3c2cccc3F)s1 ZINC000417573577 1040008608 /nfs/dbraw/zinc/00/86/08/1040008608.db2.gz XDBHTYULMFJTOK-INIZCTEOSA-N -1 0 337.441 3.625 20 0 EHADRM CCCn1nc(C)c(CNc2ccc(CCCC(=O)[O-])cc2)c1C ZINC000417595803 1040049288 /nfs/dbraw/zinc/04/92/88/1040049288.db2.gz KHHHKXBLUUXTNA-UHFFFAOYSA-N -1 0 329.444 3.929 20 0 EHADRM C[C@H](C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)c1ccccc1 ZINC000553435326 1040060496 /nfs/dbraw/zinc/06/04/96/1040060496.db2.gz SNGLMGJYWPYNLC-SNVBAGLBSA-N -1 0 345.798 3.700 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccnc(-c3ccccc3)c2)s1 ZINC000479242312 1040061979 /nfs/dbraw/zinc/06/19/79/1040061979.db2.gz KBNAIOKPEGQHOW-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM COc1cccc(CNc2ccc([C@@H](C)CC(=O)[O-])cc2)c1OC ZINC000417608243 1040062686 /nfs/dbraw/zinc/06/26/86/1040062686.db2.gz IOCRFVAXJSEWLP-ZDUSSCGKSA-N -1 0 329.396 3.894 20 0 EHADRM CCCOc1ccc(C(=O)[O-])cc1NCc1ccc([S@](C)=O)cc1 ZINC000417617236 1040067176 /nfs/dbraw/zinc/06/71/76/1040067176.db2.gz ZZGPOMKYRFVPMI-DEOSSOPVSA-N -1 0 347.436 3.523 20 0 EHADRM CCCOc1ccc(C(=O)[O-])cc1NCc1cnn(C(C)(C)C)c1 ZINC000417611266 1040080501 /nfs/dbraw/zinc/08/05/01/1040080501.db2.gz OSTBVGHQUZDLOH-UHFFFAOYSA-N -1 0 331.416 3.737 20 0 EHADRM COc1ccc(CCC(=O)[O-])cc1NCc1ncc(C(C)C)s1 ZINC000417632849 1040094135 /nfs/dbraw/zinc/09/41/35/1040094135.db2.gz XNNIYAOPXIFRBD-UHFFFAOYSA-N -1 0 334.441 3.904 20 0 EHADRM CCc1oc(C(=O)N(C)CC23CC4CC(CC(C4)C2)C3)cc1C(=O)[O-] ZINC000584851998 1040101312 /nfs/dbraw/zinc/10/13/12/1040101312.db2.gz HUKWOZLQVJRZHF-UHFFFAOYSA-N -1 0 345.439 3.829 20 0 EHADRM C[C@@]1(NC(=O)c2cc(C3CC3)oc2C2CC2)CCCC[C@H]1C(=O)[O-] ZINC000907633392 1040110459 /nfs/dbraw/zinc/11/04/59/1040110459.db2.gz CAWLELVEHHNWHR-IFXJQAMLSA-N -1 0 331.412 3.798 20 0 EHADRM Cc1cccc2oc(C(=O)N3CC[C@H](C(=O)[O-])[C@@H]4CCCC[C@@H]43)cc21 ZINC000907702810 1040133895 /nfs/dbraw/zinc/13/38/95/1040133895.db2.gz FEYXEINSXJEVEE-DZKIICNBSA-N -1 0 341.407 3.847 20 0 EHADRM COc1cc(CCC(=O)Nc2cc(C(C)=O)ccc2[O-])ccc1Cl ZINC000512565035 1040140125 /nfs/dbraw/zinc/14/01/25/1040140125.db2.gz MBSXHQTYTJYLRH-UHFFFAOYSA-N -1 0 347.798 3.828 20 0 EHADRM O=C([O-])CCc1csc(NC(=O)c2cc(C3CC3)oc2C2CC2)n1 ZINC000907768347 1040159059 /nfs/dbraw/zinc/15/90/59/1040159059.db2.gz XTAZINMUWSZFHE-UHFFFAOYSA-N -1 0 346.408 3.760 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1ccc2scnc2c1 ZINC000907761773 1040159571 /nfs/dbraw/zinc/15/95/71/1040159571.db2.gz YOPZEVLVERXGFW-UHFFFAOYSA-N -1 0 334.441 3.505 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)N2CCC[C@@H](c3ccccc3)C2)s1 ZINC000432915605 1040187165 /nfs/dbraw/zinc/18/71/65/1040187165.db2.gz FPYYBJIPQUOCNM-CQSZACIVSA-N -1 0 344.484 3.669 20 0 EHADRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)c3sc4ccccc4c3Cl)[C@@H]2C1 ZINC000907923221 1040231043 /nfs/dbraw/zinc/23/10/43/1040231043.db2.gz DDRXPCJPCAJNHM-DMWPJOQESA-N -1 0 349.839 3.784 20 0 EHADRM CC(C)(C)Cc1ccccc1C(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@H]12 ZINC000907969315 1040251769 /nfs/dbraw/zinc/25/17/69/1040251769.db2.gz KNLLGBBDRRXUCX-HDEZJCGLSA-N -1 0 329.440 3.504 20 0 EHADRM Cc1nc(-c2ccc(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)cc2)cs1 ZINC000908028742 1040268466 /nfs/dbraw/zinc/26/84/66/1040268466.db2.gz FCDHEUXFSRHRHL-OAHLLOKOSA-N -1 0 346.452 3.738 20 0 EHADRM CC(C)C(=O)c1ccc([C@H](C)C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)cc1 ZINC000908033375 1040274055 /nfs/dbraw/zinc/27/40/55/1040274055.db2.gz MJHOIGZUVXQLFI-XJKSGUPXSA-N -1 0 347.455 3.634 20 0 EHADRM C[C@@H](CC(=O)N(C)c1cccc(CC(=O)[O-])c1)c1ccccc1F ZINC000908076097 1040288600 /nfs/dbraw/zinc/28/86/00/1040288600.db2.gz ASBQXOAFQAUURO-ZDUSSCGKSA-N -1 0 329.371 3.609 20 0 EHADRM Cc1cc(C)cc(C2(C(=O)N(C)c3cccc(CC(=O)[O-])c3)CC2)c1 ZINC000908078909 1040290724 /nfs/dbraw/zinc/29/07/24/1040290724.db2.gz TXSPXIHSCLFOEU-UHFFFAOYSA-N -1 0 337.419 3.625 20 0 EHADRM CCCc1nc(C)c(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])s1 ZINC000899313627 1040316904 /nfs/dbraw/zinc/31/69/04/1040316904.db2.gz OKEZWGLZFHXIMN-GFCCVEGCSA-N -1 0 339.461 3.655 20 0 EHADRM O=C([O-])CC1(CC(=O)N2CC=C(C(F)(F)F)CC2)CCCCC1 ZINC000323154349 1040326835 /nfs/dbraw/zinc/32/68/35/1040326835.db2.gz GMVOLVBBJLGZLF-UHFFFAOYSA-N -1 0 333.350 3.523 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2c(C)cccc2F)c1C ZINC000479514831 1040333903 /nfs/dbraw/zinc/33/39/03/1040333903.db2.gz XEKICOAOAMPTKL-UHFFFAOYSA-N -1 0 325.430 3.965 20 0 EHADRM CCn1cc(/C=C(\CCCC(=O)[O-])c2nc3ccccc3s2)nn1 ZINC000899344688 1040344072 /nfs/dbraw/zinc/34/40/72/1040344072.db2.gz VUAUGHMDDYZEFF-ZRDIBKRKSA-N -1 0 342.424 3.703 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)N(CC(C)C)c3ccccc3)cc2=O)cc1 ZINC000553723129 1040371091 /nfs/dbraw/zinc/37/10/91/1040371091.db2.gz QXPFXDFDBOSGQI-UHFFFAOYSA-N -1 0 349.434 3.777 20 0 EHADRM Cc1nn(C)c(C)c1-c1cc(=O)n([C@@H](C)c2ccc(C(C)C)cc2)[n-]1 ZINC000899361327 1040386626 /nfs/dbraw/zinc/38/66/26/1040386626.db2.gz UIPAZHMQUZGUSP-AWEZNQCLSA-N -1 0 338.455 3.858 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)Cc2ccc(Cl)c(F)c2)CCC1 ZINC000908339039 1040398636 /nfs/dbraw/zinc/39/86/36/1040398636.db2.gz VLWJSPRYGBRYNU-UHFFFAOYSA-N -1 0 341.810 3.563 20 0 EHADRM O=C(CCOc1ccc2ccccc2c1)NCc1ccc(O)c(F)c1 ZINC000486756964 1040412139 /nfs/dbraw/zinc/41/21/39/1040412139.db2.gz VXJJRJIIAUXYDM-UHFFFAOYSA-N -1 0 339.366 3.770 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1 ZINC000908366034 1040415768 /nfs/dbraw/zinc/41/57/68/1040415768.db2.gz GTDSXIACKGNYNI-GRYCIOLGSA-N -1 0 341.860 3.580 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000364203943 1040419077 /nfs/dbraw/zinc/41/90/77/1040419077.db2.gz ZSMLPDYSSDMWDG-UHFFFAOYSA-N -1 0 347.411 3.881 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)C1 ZINC000908376406 1040419635 /nfs/dbraw/zinc/41/96/35/1040419635.db2.gz YINYZPIAAQIARV-ALQDCCJHSA-N -1 0 337.419 3.703 20 0 EHADRM CN(Cc1ccc(Cl)cc1Cl)C(=O)CC1(C(=O)[O-])CCC1 ZINC000313941510 1040420057 /nfs/dbraw/zinc/42/00/57/1040420057.db2.gz AQOLHYMYPZBULF-UHFFFAOYSA-N -1 0 330.211 3.597 20 0 EHADRM CC1CC(C(=O)N[C@@H]2CC[C@H](CC(=O)[O-])C2)(c2cccc(Cl)c2)C1 ZINC000908376848 1040420424 /nfs/dbraw/zinc/42/04/24/1040420424.db2.gz WUGSTHZSMKXIRE-HCZHPHPMSA-N -1 0 349.858 3.767 20 0 EHADRM CC/C=C(/C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000908408148 1040435167 /nfs/dbraw/zinc/43/51/67/1040435167.db2.gz HDPKKTWXGZSVAR-FSIMMPEJSA-N -1 0 329.318 3.694 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC000324888916 1040464087 /nfs/dbraw/zinc/46/40/87/1040464087.db2.gz LUVGZYRQUJQTRK-UHFFFAOYSA-N -1 0 327.380 3.799 20 0 EHADRM CCc1n[n-]c(=NC(=O)c2cc3c(cc(Cl)cc3Cl)[nH]2)s1 ZINC000479667751 1040493324 /nfs/dbraw/zinc/49/33/24/1040493324.db2.gz UYZUNZRBZVVZQP-UHFFFAOYSA-N -1 0 341.223 3.563 20 0 EHADRM COc1c(NC(=O)[C@H](C)CCc2cccc(F)c2)cccc1C(=O)[O-] ZINC000908506558 1040497373 /nfs/dbraw/zinc/49/73/73/1040497373.db2.gz HNZSDNYEZIGULS-GFCCVEGCSA-N -1 0 345.370 3.740 20 0 EHADRM CC(C)(CC(=O)N(CCC(=O)[O-])Cc1ccccc1)CC(F)(F)F ZINC000908578557 1040525257 /nfs/dbraw/zinc/52/52/57/1040525257.db2.gz ALCGHSGXPHFTLZ-UHFFFAOYSA-N -1 0 345.361 3.859 20 0 EHADRM O=C(C[C@@H](O)Cc1ccccc1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000486897381 1040530566 /nfs/dbraw/zinc/53/05/66/1040530566.db2.gz NOEYDBNAQFMGAH-LBPRGKRZSA-N -1 0 340.206 3.631 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2C[C@@H](C)CCC[C@H]2C)n1 ZINC000468745894 1040530963 /nfs/dbraw/zinc/53/09/63/1040530963.db2.gz WJYVWRGEBMSXSC-GXTWGEPZSA-N -1 0 345.418 3.676 20 0 EHADRM CSc1nc(=NC(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)s[n-]1 ZINC000486916502 1040546265 /nfs/dbraw/zinc/54/62/65/1040546265.db2.gz UIIPGHAVKNWOBM-OLZOCXBDSA-N -1 0 348.497 3.530 20 0 EHADRM CCCc1cc(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)ccc1Cl ZINC000908650833 1040555122 /nfs/dbraw/zinc/55/51/22/1040555122.db2.gz SBPPJXPXSWQIAW-CQSZACIVSA-N -1 0 335.831 3.619 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(C(=O)c1csc(C3CCCCC3)n1)CC2 ZINC000908657497 1040560715 /nfs/dbraw/zinc/56/07/15/1040560715.db2.gz LQVDYGNOGBJDIJ-ZDUSSCGKSA-N -1 0 348.468 3.518 20 0 EHADRM Cc1ccnc(NC(=O)N(CC(=O)[O-])C2CCCCC2)c1C1CC1 ZINC000908683755 1040573158 /nfs/dbraw/zinc/57/31/58/1040573158.db2.gz OGUYATLXCZNWDJ-UHFFFAOYSA-N -1 0 331.416 3.519 20 0 EHADRM CCC[C@H]1C[C@H](C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CCO1 ZINC000908686630 1040574322 /nfs/dbraw/zinc/57/43/22/1040574322.db2.gz JZGILQNMXCCNSY-PWSUYJOCSA-N -1 0 325.792 3.572 20 0 EHADRM O=C(c1ccc2oc(=O)nc-2[n-]1)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000667856621 1040582244 /nfs/dbraw/zinc/58/22/44/1040582244.db2.gz QIDBJUUCKCFGPM-INIZCTEOSA-N -1 0 349.390 3.611 20 0 EHADRM O=C([O-])Cc1ccc(-c2cc(F)ccc2OC[C@@H]2CCOC2)cc1 ZINC000567062737 1040587495 /nfs/dbraw/zinc/58/74/95/1040587495.db2.gz HILNPUXNUCHSRK-CQSZACIVSA-N -1 0 330.355 3.535 20 0 EHADRM C[C@@]1(CNC(=O)c2ccc3oc(=S)[n-]c3c2)CCOC2(CCC2)C1 ZINC000899491511 1040592978 /nfs/dbraw/zinc/59/29/78/1040592978.db2.gz MKRGVLMBCNNDBI-QGZVFWFLSA-N -1 0 346.452 3.586 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)N1CCC(c2ccccc2)CC1 ZINC000908709375 1040604758 /nfs/dbraw/zinc/60/47/58/1040604758.db2.gz IFHHREGYGBWSGL-UHFFFAOYSA-N -1 0 337.419 3.724 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)NCC1(c2ccccc2)CCC1 ZINC000908710548 1040605157 /nfs/dbraw/zinc/60/51/57/1040605157.db2.gz KXNITMBVQOAILF-UHFFFAOYSA-N -1 0 337.419 3.556 20 0 EHADRM CC(C)Oc1ccc(NC(=O)c2ccccc2CCC(=O)[O-])cc1 ZINC000908712644 1040607636 /nfs/dbraw/zinc/60/76/36/1040607636.db2.gz GXALPCPJEVNLHZ-UHFFFAOYSA-N -1 0 327.380 3.743 20 0 EHADRM Cc1oc(-c2ccccc2F)nc1C(=O)Nc1sccc1C#N ZINC000151140429 1040611264 /nfs/dbraw/zinc/61/12/64/1040611264.db2.gz AOKQQHGHNUNYCW-UHFFFAOYSA-N -1 0 327.340 3.975 20 0 EHADRM CC(C)Oc1ccc(NC(=O)c2ccoc2CC(=O)[O-])cc1Cl ZINC000908735558 1040616769 /nfs/dbraw/zinc/61/67/69/1040616769.db2.gz NPQABSGUWKTKHH-UHFFFAOYSA-N -1 0 337.759 3.600 20 0 EHADRM Cc1cc(Cl)cc(C)c1CN=c1[n-]nc(Cc2ccccc2)o1 ZINC000479783552 1040622084 /nfs/dbraw/zinc/62/20/84/1040622084.db2.gz XHCZCYUTOSRKMU-UHFFFAOYSA-N -1 0 327.815 3.965 20 0 EHADRM CN(CCC1CCCCC1)C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC000908775211 1040630079 /nfs/dbraw/zinc/63/00/79/1040630079.db2.gz WUJCIQCYBSEPIN-UHFFFAOYSA-N -1 0 342.439 3.837 20 0 EHADRM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)[C@H]1CC[C@H](C2CCC2)CC1 ZINC000667861215 1040632619 /nfs/dbraw/zinc/63/26/19/1040632619.db2.gz KSJRAMRBUSLNCU-CTYIDZIISA-N -1 0 341.411 3.575 20 0 EHADRM COc1cc(C)c(C(=O)Nc2ccc3[n-]c(=S)oc3c2)cc1OC ZINC000163575044 1040633068 /nfs/dbraw/zinc/63/30/68/1040633068.db2.gz YGKHPNLNYUSVCX-UHFFFAOYSA-N -1 0 344.392 3.694 20 0 EHADRM O=C([O-])Cc1c2ccccc2[nH]c1C(=O)N1CCC[C@H]1C1CCCC1 ZINC000908751051 1040633135 /nfs/dbraw/zinc/63/31/35/1040633135.db2.gz NPSDTDYLHQEDDQ-KRWDZBQOSA-N -1 0 340.423 3.590 20 0 EHADRM COCCC[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000909006172 1040738794 /nfs/dbraw/zinc/73/87/94/1040738794.db2.gz JVDZXVQBAUIAER-YOEHRIQHSA-N -1 0 349.471 3.679 20 0 EHADRM CC(C)C1(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C(F)(F)F)CC1 ZINC001211763668 1040762370 /nfs/dbraw/zinc/76/23/70/1040762370.db2.gz HBSQGPCPQIZRTD-LBPRGKRZSA-N -1 0 339.354 3.537 20 0 EHADRM Cc1ccc(CN(C(=O)c2s[n-]c(=O)c2Cl)C2CC2)cc1C ZINC000555554863 1040812075 /nfs/dbraw/zinc/81/20/75/1040812075.db2.gz IMEVMJUNDZEVCT-UHFFFAOYSA-N -1 0 336.844 3.924 20 0 EHADRM CCC[C@H](C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC000236994089 1040865607 /nfs/dbraw/zinc/86/56/07/1040865607.db2.gz KBJIEIQUJCPOAK-MOPGFXCFSA-N -1 0 339.435 3.630 20 0 EHADRM Cc1nc(-c2ccccc2C)sc1C(=O)NCCC(C)(C)C(=O)[O-] ZINC000909751313 1041001191 /nfs/dbraw/zinc/00/11/91/1041001191.db2.gz IJXBDHJLIALYFI-UHFFFAOYSA-N -1 0 346.452 3.658 20 0 EHADRM CCC[C@H](CNC(=O)c1ccc([C@H](C)C(F)(F)F)cc1)C(=O)[O-] ZINC000909811241 1041021580 /nfs/dbraw/zinc/02/15/80/1041021580.db2.gz FLHYHBKLCMVTLQ-GXFFZTMASA-N -1 0 331.334 3.583 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2ccn(C3CCCCC3)n2)cc1 ZINC000909835418 1041032205 /nfs/dbraw/zinc/03/22/05/1041032205.db2.gz GIEIVSRGXQZLSE-CYBMUJFWSA-N -1 0 341.411 3.829 20 0 EHADRM C[C@H](OCc1ccc(F)cc1)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000909833380 1041032402 /nfs/dbraw/zinc/03/24/02/1041032402.db2.gz IFZYMQMLWLRAOK-STQMWFEESA-N -1 0 345.370 3.558 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)CCc2cccc(N(C)C)c2)c1 ZINC000909832824 1041032644 /nfs/dbraw/zinc/03/26/44/1041032644.db2.gz VMAFDHRVAHRFPZ-CQSZACIVSA-N -1 0 340.423 3.512 20 0 EHADRM CC[C@@H](C)CN(C)C(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1 ZINC000481537863 1041032648 /nfs/dbraw/zinc/03/26/48/1041032648.db2.gz VSGKZEVFZSEPAQ-SNVBAGLBSA-N -1 0 338.864 3.790 20 0 EHADRM C[C@@H](OCc1ccc(F)cc1)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000909833378 1041032711 /nfs/dbraw/zinc/03/27/11/1041032711.db2.gz IFZYMQMLWLRAOK-QWHCGFSZSA-N -1 0 345.370 3.558 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)s1 ZINC000909845774 1041037270 /nfs/dbraw/zinc/03/72/70/1041037270.db2.gz GLNLGCZZEPDWMP-STQMWFEESA-N -1 0 335.812 3.520 20 0 EHADRM O=C([O-])c1cccc2c1CN(C(=O)[C@H]1CCC[C@H]1c1ccccc1)CC2 ZINC000909868422 1041040228 /nfs/dbraw/zinc/04/02/28/1041040228.db2.gz HORAVHQFZZZWKP-ROUUACIJSA-N -1 0 349.430 3.853 20 0 EHADRM COCCCOc1ccc(F)cc1Nc1ccc(C(=O)[O-])c(C)c1 ZINC001211657143 1041058504 /nfs/dbraw/zinc/05/85/04/1041058504.db2.gz CAKXSGAWMWPWOB-UHFFFAOYSA-N -1 0 333.359 3.991 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])C[C@H]1C(=O)Nc1ccc(Oc2ccccn2)cc1 ZINC000899769430 1041084915 /nfs/dbraw/zinc/08/49/15/1041084915.db2.gz CKQXPPUQDAAIFH-KXBFYZLASA-N -1 0 340.379 3.559 20 0 EHADRM CCC[C@H](NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-])c1ccccc1 ZINC000899762786 1041090532 /nfs/dbraw/zinc/09/05/32/1041090532.db2.gz XAXJFNUBHNZOLG-WDHIOAMHSA-N -1 0 327.424 3.557 20 0 EHADRM Cn1[n-]c(C(=O)N[C@@H](CC2CCCCC2)c2ccccc2)cc1=O ZINC000667903193 1041093980 /nfs/dbraw/zinc/09/39/80/1041093980.db2.gz FAQSZDURQRPFRV-INIZCTEOSA-N -1 0 327.428 3.567 20 0 EHADRM Cc1ccc([C@@H](CC(=O)NCc2ccc(C(F)F)cc2)C(=O)[O-])cc1 ZINC000899782027 1041106192 /nfs/dbraw/zinc/10/61/92/1041106192.db2.gz QESFTHMHMYIKJQ-MRXNPFEDSA-N -1 0 347.361 3.807 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000899772310 1041110249 /nfs/dbraw/zinc/11/02/49/1041110249.db2.gz VYVPNQLROHNXRW-APWZRJJASA-N -1 0 340.379 3.559 20 0 EHADRM C[C@@H](N=c1[n-]nc(C(F)F)o1)c1ccc(OCc2cccnc2)cc1 ZINC000555756663 1041110587 /nfs/dbraw/zinc/11/05/87/1041110587.db2.gz MTVYUTAQRPONNP-LLVKDONJSA-N -1 0 346.337 3.576 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1ccc(F)cc1OCC(F)F ZINC000899776483 1041115516 /nfs/dbraw/zinc/11/55/16/1041115516.db2.gz WAFOYUPHPIRBQK-SNVBAGLBSA-N -1 0 347.333 3.545 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000899785182 1041122448 /nfs/dbraw/zinc/12/24/48/1041122448.db2.gz FIHWJMFLFXCTLY-APWZRJJASA-N -1 0 340.379 3.559 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N[C@@H]2C[C@H]2c2ccccc2C)C(=O)[O-])cc1 ZINC000899789297 1041126130 /nfs/dbraw/zinc/12/61/30/1041126130.db2.gz RQLNTAAUMVBLTH-CEXWTWQISA-N -1 0 337.419 3.534 20 0 EHADRM CC[C@H](CNC(=O)C[C@@H](C(=O)[O-])c1ccc(C)cc1)CC(F)(F)F ZINC000899789836 1041129370 /nfs/dbraw/zinc/12/93/70/1041129370.db2.gz XYBIAUMMXSSEQI-GXTWGEPZSA-N -1 0 345.361 3.648 20 0 EHADRM Cc1ccc([C@H](CC(=O)N(C)[C@H](C)c2ccccc2)C(=O)[O-])cc1 ZINC000899797224 1041131675 /nfs/dbraw/zinc/13/16/75/1041131675.db2.gz ZXJWGBVJNICGDK-QAPCUYQASA-N -1 0 325.408 3.773 20 0 EHADRM Cc1ccc([C@H](CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C(=O)[O-])cc1 ZINC000899797093 1041132249 /nfs/dbraw/zinc/13/22/49/1041132249.db2.gz XBJZUQYUSQGKIE-KDOFPFPSSA-N -1 0 343.398 3.912 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C ZINC000899801909 1041141755 /nfs/dbraw/zinc/14/17/55/1041141755.db2.gz VZNBKLHWOFYLIP-CXAGYDPISA-N -1 0 345.443 3.513 20 0 EHADRM CC1(C(=O)N2CCC([C@@H](CC(=O)[O-])c3ccccc3)CC2)CC=CC1 ZINC000910031118 1041145021 /nfs/dbraw/zinc/14/50/21/1041145021.db2.gz BUAKQNLHMIJHIT-SFHVURJKSA-N -1 0 341.451 3.840 20 0 EHADRM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000500345303 1041163211 /nfs/dbraw/zinc/16/32/11/1041163211.db2.gz WDLYQDPTGZKVBE-CJNGLKHVSA-N -1 0 345.418 3.758 20 0 EHADRM Cc1cc(-c2ccc3c(c2)CC[C@@H]3C(=O)[O-])ccc1O[C@H]1CCOC1 ZINC000571060160 1041173000 /nfs/dbraw/zinc/17/30/00/1041173000.db2.gz APSSVCNMGTZUNS-HKUYNNGSSA-N -1 0 338.403 3.944 20 0 EHADRM CC(C)c1cccc(C(=O)N2[C@@H](C(=O)[O-])CC[C@H]2c2ccccc2)n1 ZINC000910104080 1041191950 /nfs/dbraw/zinc/19/19/50/1041191950.db2.gz VXGDEDHDVCLDNY-ZWKOTPCHSA-N -1 0 338.407 3.636 20 0 EHADRM CCC[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])cs1 ZINC000910105320 1041192390 /nfs/dbraw/zinc/19/23/90/1041192390.db2.gz UTGYZFRPQYMFHM-DYEKYZERSA-N -1 0 336.457 3.721 20 0 EHADRM CC[C@H](CC(=O)N1CCC[C@H]1c1nc(C(=O)[O-])cs1)C(C)(C)C ZINC000910104721 1041193119 /nfs/dbraw/zinc/19/31/19/1041193119.db2.gz SZGDZLXDRDYCOI-YPMHNXCESA-N -1 0 338.473 3.967 20 0 EHADRM C[C@@H]1CCCC[C@H]1CC(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])cs1 ZINC000910112924 1041195039 /nfs/dbraw/zinc/19/50/39/1041195039.db2.gz FUSKFDTWAOKOEW-MBNYWOFBSA-N -1 0 336.457 3.721 20 0 EHADRM CCC[C@@]1(C(=O)[O-])CCCN1C(=O)c1nc(-c2ccccc2)oc1C ZINC000910117302 1041202307 /nfs/dbraw/zinc/20/23/07/1041202307.db2.gz DZSAGQQEQLBPGN-IBGZPJMESA-N -1 0 342.395 3.510 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1 ZINC000899841518 1041203717 /nfs/dbraw/zinc/20/37/17/1041203717.db2.gz CDUWKGDEFWZKMZ-CVEARBPZSA-N -1 0 331.412 3.607 20 0 EHADRM O=C([O-])[C@H](CC(=O)NCCC1CCC(F)(F)CC1)c1ccccc1 ZINC000899852382 1041211678 /nfs/dbraw/zinc/21/16/78/1041211678.db2.gz FJIJJTSCLXRRCZ-OAHLLOKOSA-N -1 0 339.382 3.577 20 0 EHADRM C[C@@H](NC(=O)[C@H](C)S[C@H](C)C(=O)[O-])c1cccc2ccccc21 ZINC000899855869 1041238474 /nfs/dbraw/zinc/23/84/74/1041238474.db2.gz LJEXPLASJJKCOQ-FRRDWIJNSA-N -1 0 331.437 3.612 20 0 EHADRM COc1cc([C@H](C)NC(=O)[C@@H]2CCC[C@@H]2C(=O)[O-])cc2ccccc21 ZINC000899857324 1041239940 /nfs/dbraw/zinc/23/99/40/1041239940.db2.gz XJTWOLHNXNWLSP-VUCTXSBTSA-N -1 0 341.407 3.527 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)N([C@@H](C)C(=O)[O-])C3CC3)cc2s1 ZINC000555851496 1041241860 /nfs/dbraw/zinc/24/18/60/1041241860.db2.gz DDXVPYOVPKOTCW-JTQLQIEISA-N -1 0 347.440 3.889 20 0 EHADRM Cc1c(C(=O)[O-])sc2ncnc(NC[C@H]3CCO[C@H](C(C)C)C3)c12 ZINC000571288229 1041255957 /nfs/dbraw/zinc/25/59/57/1041255957.db2.gz UEMQGLKMDFOTMI-RYUDHWBXSA-N -1 0 349.456 3.561 20 0 EHADRM O=C([O-])c1ccccc1COc1cccc(/C=C/c2ccncn2)c1 ZINC000500379152 1041274336 /nfs/dbraw/zinc/27/43/36/1041274336.db2.gz FGJVVBMNSRBLCZ-CMDGGOBGSA-N -1 0 332.359 3.924 20 0 EHADRM CC(=O)Nc1ccc(NC(=O)CC2(CC(=O)[O-])CCCCC2)cc1C ZINC000044830372 1041280135 /nfs/dbraw/zinc/28/01/35/1041280135.db2.gz XZAAOPAUXZLJKN-UHFFFAOYSA-N -1 0 346.427 3.707 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2ccc(Oc3cccnc3)cc2)cc1 ZINC000431978028 1041335366 /nfs/dbraw/zinc/33/53/66/1041335366.db2.gz SEFQZRQSCJVJKN-UHFFFAOYSA-N -1 0 348.358 3.753 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2coc(C3CCCCC3)n2)c1 ZINC000909331424 1041360448 /nfs/dbraw/zinc/36/04/48/1041360448.db2.gz IMFYQDCOSSKFJR-UHFFFAOYSA-N -1 0 328.368 3.602 20 0 EHADRM Cc1nc([C@H](C)NC(=O)c2cccn2C2CCCC2)sc1C(=O)[O-] ZINC000431989324 1041450331 /nfs/dbraw/zinc/45/03/31/1041450331.db2.gz AUNRYKJPAVPTTD-NSHDSACASA-N -1 0 347.440 3.557 20 0 EHADRM CCCC[C@@H](NC(=O)Cc1cc2c(ccc3ccccc23)o1)C(=O)[O-] ZINC000431999282 1041455879 /nfs/dbraw/zinc/45/58/79/1041455879.db2.gz PVUVEILGFJNGPX-QGZVFWFLSA-N -1 0 339.391 3.888 20 0 EHADRM CN(C(=O)N=c1[n-]nc(-c2ccsc2)s1)[C@H]1CCC(C)(C)C1 ZINC000431984872 1041456023 /nfs/dbraw/zinc/45/60/23/1041456023.db2.gz DHNROFWOTPSUCK-NSHDSACASA-N -1 0 336.486 3.731 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c(C)n1C1CC1 ZINC000432001696 1041462366 /nfs/dbraw/zinc/46/23/66/1041462366.db2.gz RRULGUKLBXARDW-LBPRGKRZSA-N -1 0 340.423 3.955 20 0 EHADRM COc1cc(NC(=O)N=c2nc(C(C)(C)C)[n-]s2)c(C)cc1C ZINC000432084674 1041568008 /nfs/dbraw/zinc/56/80/08/1041568008.db2.gz ISCVADBKMRDTNR-UHFFFAOYSA-N -1 0 334.445 3.527 20 0 EHADRM Cc1cc(CCCC(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])c(C)s1 ZINC000432113757 1041605961 /nfs/dbraw/zinc/60/59/61/1041605961.db2.gz IMHCKDGEDWRKPN-MAUKXSAKSA-N -1 0 337.485 3.837 20 0 EHADRM C[C@@]1(NC(=O)c2cc3cc(Cl)ccc3o2)CCCC[C@H]1C(=O)[O-] ZINC000432126764 1041625843 /nfs/dbraw/zinc/62/58/43/1041625843.db2.gz OOINRPHHYOPFRB-YVEFUNNKSA-N -1 0 335.787 3.850 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000432130794 1041628202 /nfs/dbraw/zinc/62/82/02/1041628202.db2.gz SYAYWPPHWZDQBE-MDYRTPRTSA-N -1 0 331.456 3.795 20 0 EHADRM COc1cc(CN=c2[n-]nc(C3CC3)s2)ccc1OC1CCCC1 ZINC000432127631 1041628425 /nfs/dbraw/zinc/62/84/25/1041628425.db2.gz UPOBBHZDWIMVDA-UHFFFAOYSA-N -1 0 345.468 3.780 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)Nc2cccc(OC3CCCC3)c2)CC1 ZINC000647691764 1041634893 /nfs/dbraw/zinc/63/48/93/1041634893.db2.gz OMHMKTQHMFUSAT-UHFFFAOYSA-N -1 0 346.427 3.727 20 0 EHADRM O=C([O-])c1cccnc1N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000618437096 1041756953 /nfs/dbraw/zinc/75/69/53/1041756953.db2.gz BRVBVLGICKCENH-UHFFFAOYSA-N -1 0 344.798 3.533 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)Nc2cccc(C(F)F)c2Cl)CC1 ZINC000647700016 1041778182 /nfs/dbraw/zinc/77/81/82/1041778182.db2.gz POPCXRKPOHDESZ-UHFFFAOYSA-N -1 0 346.761 3.996 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cccc(C(F)F)c2Cl)C[C@H]1C(=O)[O-] ZINC000647699762 1041780681 /nfs/dbraw/zinc/78/06/81/1041780681.db2.gz FGRPZRKNIUYBQN-PSASIEDQSA-N -1 0 346.761 3.852 20 0 EHADRM CCOCc1ccccc1CNC(=O)CC1(C(=O)[O-])CCCCCC1 ZINC000027056452 1041826702 /nfs/dbraw/zinc/82/67/02/1041826702.db2.gz WIPLRRPXHQEXPV-UHFFFAOYSA-N -1 0 347.455 3.655 20 0 EHADRM O=S(=O)([N-][C@@H]1CCc2cc(Cl)ccc21)c1c(F)cccc1F ZINC000511879356 1041843300 /nfs/dbraw/zinc/84/33/00/1041843300.db2.gz PICCVXMADMIZTK-CQSZACIVSA-N -1 0 343.782 3.584 20 0 EHADRM Cc1nc([C@H](C)N(C)Cc2n[n-]c(=O)o2)oc1-c1ccc(Cl)cc1 ZINC000660848992 1041846820 /nfs/dbraw/zinc/84/68/20/1041846820.db2.gz TXWFCYDZTXJQED-JTQLQIEISA-N -1 0 348.790 3.585 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cccc(-c3ccccc3)c2)C[C@@H]1C(=O)[O-] ZINC000647702234 1041851528 /nfs/dbraw/zinc/85/15/28/1041851528.db2.gz JIFGYTDSZRRICY-KDOFPFPSSA-N -1 0 338.407 3.928 20 0 EHADRM FC(F)OC1CCC(N=c2nc(C3CCCCC3)[n-]s2)CC1 ZINC000643190536 1042219972 /nfs/dbraw/zinc/21/99/72/1042219972.db2.gz RTQNEMMBCLPHLA-UHFFFAOYSA-N -1 0 331.432 3.970 20 0 EHADRM CSc1ccccc1CC(=O)N[C@H](CC(=O)[O-])c1ccccc1C ZINC000909371490 1042252756 /nfs/dbraw/zinc/25/27/56/1042252756.db2.gz HWEYXRQAZIBNNL-MRXNPFEDSA-N -1 0 343.448 3.592 20 0 EHADRM CC(C)[C@H](NC(=O)CC1CCC(C(=O)[O-])CC1)c1ccccc1F ZINC000659180308 1042276024 /nfs/dbraw/zinc/27/60/24/1042276024.db2.gz UIDYTYMDELSDEW-JRSKDTKFSA-N -1 0 335.419 3.920 20 0 EHADRM O=C(Nc1cccc(NC(=O)C2CC2)c1)c1cc(F)c([O-])c(Cl)c1 ZINC000184234611 1042334932 /nfs/dbraw/zinc/33/49/32/1042334932.db2.gz NYRPDDNMQWAHGO-UHFFFAOYSA-N -1 0 348.761 3.786 20 0 EHADRM C[C@H](NC(=O)[C@H](C(=O)[O-])C(C)(C)C)c1ccc(OC(F)(F)F)cc1 ZINC000663046795 1042391688 /nfs/dbraw/zinc/39/16/88/1042391688.db2.gz ANIXKYPIWFTNFP-JOYOIKCWSA-N -1 0 347.333 3.509 20 0 EHADRM COc1ccc([C@H](C)CCNC(=O)c2cccc(Cl)c2[O-])cc1 ZINC001126182040 1042442086 /nfs/dbraw/zinc/44/20/86/1042442086.db2.gz UVOUDKAXYWEOCD-GFCCVEGCSA-N -1 0 333.815 3.978 20 0 EHADRM CC[C@H]1CN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CCS1 ZINC000652418734 1042467110 /nfs/dbraw/zinc/46/71/10/1042467110.db2.gz JNWFRKVFVXWQGT-GWCFXTLKSA-N -1 0 334.268 3.947 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)c3cc(F)c([O-])c(Cl)c3)cc2)n[nH]1 ZINC000184343787 1042469462 /nfs/dbraw/zinc/46/94/62/1042469462.db2.gz MUARNWHWMYNCJR-UHFFFAOYSA-N -1 0 346.749 3.531 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1cccc(-c2cscn2)c1)CC(=O)[O-] ZINC000663138231 1042487844 /nfs/dbraw/zinc/48/78/44/1042487844.db2.gz HDCFEIAVHCONOM-ZDUSSCGKSA-N -1 0 346.452 3.677 20 0 EHADRM O=C([O-])CC[N@@H+](Cc1csc(-c2ccc(F)cc2)n1)CC1CC1 ZINC000652468334 1042492679 /nfs/dbraw/zinc/49/26/79/1042492679.db2.gz DLHPPLGBYUEUOU-UHFFFAOYSA-N -1 0 334.416 3.636 20 0 EHADRM CCS[C@@H]1CCCCN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000184400105 1042513869 /nfs/dbraw/zinc/51/38/69/1042513869.db2.gz GMLGVLUOKYEGOO-LLVKDONJSA-N -1 0 331.840 3.933 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)c2ccc(C3CCC3)cc2)c2ccccc21 ZINC000653328279 1042541937 /nfs/dbraw/zinc/54/19/37/1042541937.db2.gz GXZOXMWESBMKGX-RBUKOAKNSA-N -1 0 335.403 3.997 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2ccc(C3CCC3)cc2)c2ccccc21 ZINC000653328280 1042542264 /nfs/dbraw/zinc/54/22/64/1042542264.db2.gz GXZOXMWESBMKGX-RTBURBONSA-N -1 0 335.403 3.997 20 0 EHADRM CCc1nc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)cs1 ZINC000663262641 1042610952 /nfs/dbraw/zinc/61/09/52/1042610952.db2.gz JSOSQCGMGNLJNA-CYBMUJFWSA-N -1 0 345.251 3.928 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)N1CCCCC[C@@H]1c1ccccc1)C(=O)[O-] ZINC000602004893 1042652811 /nfs/dbraw/zinc/65/28/11/1042652811.db2.gz SQFIKLSYDMJYLD-OFQRWUPVSA-N -1 0 335.469 3.725 20 0 EHADRM Cc1cc(NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])ccc1C(F)(F)F ZINC000601985747 1042654042 /nfs/dbraw/zinc/65/40/42/1042654042.db2.gz RZFUYGDCJFNUJN-IUCAKERBSA-N -1 0 335.347 3.547 20 0 EHADRM Cc1cc(Cl)c(NC(=O)NC[C@@H](C(=O)[O-])C2CCC2)cc1Cl ZINC000663348871 1042738633 /nfs/dbraw/zinc/73/86/33/1042738633.db2.gz DJHWUWSUCZXJJO-SNVBAGLBSA-N -1 0 345.226 3.924 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2cccc(C(F)F)c2Cl)CCC1 ZINC000663351975 1042740679 /nfs/dbraw/zinc/74/06/79/1042740679.db2.gz NVUQRLYTROQEFC-UHFFFAOYSA-N -1 0 332.734 3.654 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1ccc2ncccc2c1 ZINC000187018074 1042744571 /nfs/dbraw/zinc/74/45/71/1042744571.db2.gz FZGFPASMZSXKCU-UHFFFAOYSA-N -1 0 330.434 3.758 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)Nc2ccc(F)c(F)c2)n1 ZINC000432312168 1042772014 /nfs/dbraw/zinc/77/20/14/1042772014.db2.gz FVNGTASSYAGTTF-UHFFFAOYSA-N -1 0 347.296 3.556 20 0 EHADRM CC(C)(C)OC1CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)CC1 ZINC000278878869 1042815263 /nfs/dbraw/zinc/81/52/63/1042815263.db2.gz YLFSPOUXMLUTGO-UHFFFAOYSA-N -1 0 329.799 3.604 20 0 EHADRM O=S(=O)([N-]c1ccc(SCc2ccccc2)cn1)c1ccoc1 ZINC000350127534 1042847854 /nfs/dbraw/zinc/84/78/54/1042847854.db2.gz PSSSJPVFXAYNCM-UHFFFAOYSA-N -1 0 346.433 3.768 20 0 EHADRM [O-]c1cc(Br)ccc1-c1nc(C2CCSCC2)no1 ZINC000402295482 1042941996 /nfs/dbraw/zinc/94/19/96/1042941996.db2.gz OARADYFONBMMEL-UHFFFAOYSA-N -1 0 341.230 3.815 20 0 EHADRM COCCSc1ccc([C@H](C)N=c2[n-]nc(C3CC3)s2)cc1 ZINC000432358321 1042994520 /nfs/dbraw/zinc/99/45/20/1042994520.db2.gz PDYMTRSGBGPPPV-NSHDSACASA-N -1 0 335.498 3.749 20 0 EHADRM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1ccc(C(=O)[O-])cc1F ZINC000432120997 1043013812 /nfs/dbraw/zinc/01/38/12/1043013812.db2.gz TWRCOUCZRSADMR-QWRGUYRKSA-N -1 0 345.345 3.811 20 0 EHADRM Cc1nc(CC(C)C)sc1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000344036909 1043139517 /nfs/dbraw/zinc/13/95/17/1043139517.db2.gz USWLMMAEQFMILF-UHFFFAOYSA-N -1 0 346.452 3.920 20 0 EHADRM FC(F)(F)c1ccc(CN=c2[n-]nc(CC3CCCC3)o2)s1 ZINC000432425327 1043174360 /nfs/dbraw/zinc/17/43/60/1043174360.db2.gz MDHVZKYFTIWRHD-UHFFFAOYSA-N -1 0 331.363 3.917 20 0 EHADRM Clc1scc(CN=c2[n-]nc(-c3ccncc3)o2)c1Cl ZINC000432430296 1043200325 /nfs/dbraw/zinc/20/03/25/1043200325.db2.gz RVIHBLRIOCEDBG-UHFFFAOYSA-N -1 0 327.196 3.534 20 0 EHADRM Cc1sc2[nH]c([C@@H](C)OC(=O)[C@H]3CC34CCC4)nc(=O)c2c1C ZINC000759972786 1043278983 /nfs/dbraw/zinc/27/89/83/1043278983.db2.gz BFYRYFGTUJINCK-MWLCHTKSSA-N -1 0 332.425 3.808 20 0 EHADRM Cc1sc2[nH]c([C@H](C)OC(=O)[C@@H]3CC34CCC4)nc(=O)c2c1C ZINC000759972791 1043279131 /nfs/dbraw/zinc/27/91/31/1043279131.db2.gz BFYRYFGTUJINCK-ONGXEEELSA-N -1 0 332.425 3.808 20 0 EHADRM Cc1ccc2c(O)c(C(=O)N3CCC[C@@H](C(C)(C)C)C3)cnc2n1 ZINC000408344799 1043454153 /nfs/dbraw/zinc/45/41/53/1043454153.db2.gz AHTMKVBPZMSURW-CYBMUJFWSA-N -1 0 327.428 3.542 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)CCc2c(Cl)cccc2Cl)C1 ZINC000655535183 1043839455 /nfs/dbraw/zinc/83/94/55/1043839455.db2.gz VBSLMYWFOVKOLC-LLVKDONJSA-N -1 0 344.238 3.639 20 0 EHADRM O=C([O-])C1(CC(=O)NCc2ccc(F)c(Cl)c2)CCCCCC1 ZINC000320126301 1043915484 /nfs/dbraw/zinc/91/54/84/1043915484.db2.gz JOOZGUVXIKYXAV-UHFFFAOYSA-N -1 0 341.810 3.911 20 0 EHADRM Cc1ccc2c([O-])c(C(=O)Nc3nc4ccsc4s3)cnc2n1 ZINC000344712078 1044327142 /nfs/dbraw/zinc/32/71/42/1044327142.db2.gz RNZRZBVXOARTRK-UHFFFAOYSA-N -1 0 342.405 3.567 20 0 EHADRM CC(C)Oc1ccc(NC(=O)c2nn(-c3ccccc3)cc2[O-])cc1 ZINC000344808766 1044457101 /nfs/dbraw/zinc/45/71/01/1044457101.db2.gz IUBMHAYJIWWOCB-UHFFFAOYSA-N -1 0 337.379 3.617 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2cc(C)sc2C)ccc1Cl ZINC000432639093 1044564480 /nfs/dbraw/zinc/56/44/80/1044564480.db2.gz SPYFFCDWHOXXST-UHFFFAOYSA-N -1 0 331.846 3.828 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2cc(C)ccc2F)ccc1Cl ZINC000432639200 1044565178 /nfs/dbraw/zinc/56/51/78/1044565178.db2.gz USAPHWAYYJCDGA-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CC[C@H](CNC(=O)[C@@](C)(CC(=O)[O-])CC(C)C)CC(F)(F)F ZINC000634842754 1125769160 /nfs/dbraw/zinc/76/91/60/1125769160.db2.gz WLDNGMKRPNONGO-SMDDNHRTSA-N -1 0 325.371 3.608 20 0 EHADRM Cc1cc(O)c(C(C)C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184886262 1126707112 /nfs/dbraw/zinc/70/71/12/1126707112.db2.gz PKXLXLNSLMQREM-UHFFFAOYSA-N -1 0 330.340 3.690 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1Cc2cccc(F)c2C1 ZINC000622693205 1126743810 /nfs/dbraw/zinc/74/38/10/1126743810.db2.gz AEJQHBJEHASIGK-UHFFFAOYSA-N -1 0 325.261 3.706 20 0 EHADRM C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2cccc(Cl)c2[O-])cc1 ZINC000172108834 1126781189 /nfs/dbraw/zinc/78/11/89/1126781189.db2.gz PRDIQPURYZDGJI-GXFFZTMASA-N -1 0 344.798 3.892 20 0 EHADRM O=C(C[C@@]12CCCC[C@@H]1C2(F)F)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000622822268 1126781961 /nfs/dbraw/zinc/78/19/61/1126781961.db2.gz FQZRQICERRUOGY-YJBOKZPZSA-N -1 0 343.377 3.720 20 0 EHADRM C[C@](CC(=O)NCc1ccc(F)c(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC000336876080 1126813614 /nfs/dbraw/zinc/81/36/14/1126813614.db2.gz AHOWSODHUYEVJI-GOSISDBHSA-N -1 0 349.789 3.528 20 0 EHADRM O=C(N=c1ccc(-c2ccc(Cl)s2)n[n-]1)[C@H]1CCC(F)(F)C1 ZINC000622929109 1126830667 /nfs/dbraw/zinc/83/06/67/1126830667.db2.gz CZTDLTZPPARYIP-QMMMGPOBSA-N -1 0 343.786 3.654 20 0 EHADRM O=C(Cc1ccc(NC(=O)C2CC2)cc1)Nc1cccc(Cl)c1[O-] ZINC000173476684 1126833740 /nfs/dbraw/zinc/83/37/40/1126833740.db2.gz SUUNUPQLZFQYBE-UHFFFAOYSA-N -1 0 344.798 3.575 20 0 EHADRM Cc1noc(C)c1C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000174919298 1126863590 /nfs/dbraw/zinc/86/35/90/1126863590.db2.gz PGCZELFGJALSME-UHFFFAOYSA-N -1 0 345.580 3.665 20 0 EHADRM Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ncccc1O ZINC000192734228 1126932493 /nfs/dbraw/zinc/93/24/93/1126932493.db2.gz PVGUCVRBOZAWQK-UHFFFAOYSA-N -1 0 329.743 3.656 20 0 EHADRM O=C([O-])C1CCN(C(=O)c2ccc(NC3CCCCCC3)cc2)CC1 ZINC000901698279 1126941028 /nfs/dbraw/zinc/94/10/28/1126941028.db2.gz WDOMSJBXFLCDCO-UHFFFAOYSA-N -1 0 344.455 3.758 20 0 EHADRM C[C@H]1CCCC[C@H]1OCC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000073086993 1126999142 /nfs/dbraw/zinc/99/91/42/1126999142.db2.gz IFIQBARNJFCYEQ-SMDDNHRTSA-N -1 0 345.848 3.581 20 0 EHADRM COc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(C)c1Cl ZINC000179968716 1127105557 /nfs/dbraw/zinc/10/55/57/1127105557.db2.gz ZDOZZNRLKACJHN-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM Oc1c(-c2nc(-c3ccn4c[nH+]cc4c3)no2)ccc2ccccc21 ZINC000351071108 1127136820 /nfs/dbraw/zinc/13/68/20/1127136820.db2.gz CRGGPKPRCHRTPO-UHFFFAOYSA-N -1 0 328.331 3.910 20 0 EHADRM COc1cc(C)c(NC(=O)c2ccc3[n-]c(=S)oc3c2)cc1F ZINC000186041489 1127240435 /nfs/dbraw/zinc/24/04/35/1127240435.db2.gz NEBGAFUHFRKADD-UHFFFAOYSA-N -1 0 332.356 3.825 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc3ccc(C)nc32)c(F)c1 ZINC000356803542 1127300191 /nfs/dbraw/zinc/30/01/91/1127300191.db2.gz HRGXZTUJTZJGOD-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM CCCS(=O)(=O)[N-]c1nc(-c2ccc(F)c(Cl)c2)cs1 ZINC000182707366 1127344459 /nfs/dbraw/zinc/34/44/59/1127344459.db2.gz SABJUQLRXAKDSD-UHFFFAOYSA-N -1 0 334.825 3.754 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)CCCSc1ccc(Cl)cc1)C1CC1 ZINC000362336800 1127358683 /nfs/dbraw/zinc/35/86/83/1127358683.db2.gz XTCRRDNNQLJRKK-LLVKDONJSA-N -1 0 341.860 3.676 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ncc(-c3ccccc3)s2)c(C)o1 ZINC000183110852 1127363538 /nfs/dbraw/zinc/36/35/38/1127363538.db2.gz WCHNBDALQUMCIE-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM CSCc1ccccc1[N-]S(=O)(=O)c1cccc(C)c1F ZINC000184029425 1127392807 /nfs/dbraw/zinc/39/28/07/1127392807.db2.gz CPDHYXHJRWITRU-UHFFFAOYSA-N -1 0 325.430 3.798 20 0 EHADRM C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H]1c2ccccc2CCC1(C)C ZINC000184734579 1127412527 /nfs/dbraw/zinc/41/25/27/1127412527.db2.gz SRDXYZJIKZKNTD-GWCFXTLKSA-N -1 0 335.391 3.570 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@H](CCC)C(C)C)cc1 ZINC000764564562 1127507956 /nfs/dbraw/zinc/50/79/56/1127507956.db2.gz UJVMCAHOMGEFPH-MRXNPFEDSA-N -1 0 325.474 3.516 20 0 EHADRM CCCc1ccc(NS(=O)(=O)c2ccc(CC)c(C(=O)[O-])c2)cc1 ZINC000325443517 1127614950 /nfs/dbraw/zinc/61/49/50/1127614950.db2.gz VJJJQJPARYLKLR-UHFFFAOYSA-N -1 0 347.436 3.701 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(C)CC(=O)[N-]OCc1ccccc1 ZINC000765493608 1127622376 /nfs/dbraw/zinc/62/23/76/1127622376.db2.gz WUHGHDKKMIZXCO-AWEZNQCLSA-N -1 0 332.831 3.581 20 0 EHADRM CN(C(=O)Nc1ccc(Cl)cc1Cl)C1(C(=O)[O-])CCCC1 ZINC000386841417 1127719039 /nfs/dbraw/zinc/71/90/39/1127719039.db2.gz VSWCGOMZOUKSJJ-UHFFFAOYSA-N -1 0 331.199 3.855 20 0 EHADRM COC(=O)c1ccc(/C=C(\CC(=O)[O-])c2nc3ccccc3o2)cc1 ZINC000025126396 1127745818 /nfs/dbraw/zinc/74/58/18/1127745818.db2.gz WCLYZXCERCPCLY-GXDHUFHOSA-N -1 0 337.331 3.630 20 0 EHADRM COCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)c1 ZINC000671660862 1127768590 /nfs/dbraw/zinc/76/85/90/1127768590.db2.gz MPXHCZXCPBLHLU-UHFFFAOYSA-N -1 0 347.436 3.520 20 0 EHADRM Cc1n[n-]c(=NC(=O)c2ccc(-c3ccccc3Cl)o2)n1C1CC1 ZINC000347595292 1128128046 /nfs/dbraw/zinc/12/80/46/1128128046.db2.gz ZGIQWLVFNKQBHQ-UHFFFAOYSA-N -1 0 342.786 3.509 20 0 EHADRM CC(C)N(C)c1cccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)c1 ZINC000068479717 1128268201 /nfs/dbraw/zinc/26/82/01/1128268201.db2.gz WBDVKECBUXBRKT-UHFFFAOYSA-N -1 0 335.407 3.625 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)[N-]S(=O)(=O)CCCF ZINC000084849874 1128382439 /nfs/dbraw/zinc/38/24/39/1128382439.db2.gz IMKSEVKEJNVPDX-UHFFFAOYSA-N -1 0 335.828 3.555 20 0 EHADRM CCCCC[C@H](C(=O)[N-]S(=O)(=O)c1sccc1C)C(C)C ZINC000802869646 1128398852 /nfs/dbraw/zinc/39/88/52/1128398852.db2.gz HYASYKSBRTUUOI-ZDUSSCGKSA-N -1 0 331.503 3.714 20 0 EHADRM CC(C)CC[C@H]1CCCN1C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655903158 1128528627 /nfs/dbraw/zinc/52/86/27/1128528627.db2.gz YXPJFCVUVYDQJA-XUWVNRHRSA-N -1 0 338.492 3.732 20 0 EHADRM CCN(C(=O)N=c1[n-]nc(-c2cc3ccccc3o2)s1)C1CCC1 ZINC000470511907 1128598965 /nfs/dbraw/zinc/59/89/65/1128598965.db2.gz AEINZXZBYILUEC-UHFFFAOYSA-N -1 0 342.424 3.780 20 0 EHADRM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000007057442 1128846666 /nfs/dbraw/zinc/84/66/66/1128846666.db2.gz QITQATGFIWEKFO-UHFFFAOYSA-N -1 0 329.780 3.679 20 0 EHADRM CCOc1ccc(C[C@@H](C)CNC(=O)c2ccc(F)cc2[O-])cc1 ZINC001648840364 1120051875 /nfs/dbraw/zinc/05/18/75/1120051875.db2.gz RGDYJOMCHOTLRP-CYBMUJFWSA-N -1 0 331.387 3.539 20 0 EHADRM CC(C)[C@@]1(C)C[C@H]1NC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC001648840456 1120052226 /nfs/dbraw/zinc/05/22/26/1120052226.db2.gz VBHQKFPWQXOBCC-BXUZGUMPSA-N -1 0 346.652 3.973 20 0 EHADRM O=C(Nc1ccc2occc2c1)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC001648848077 1120053700 /nfs/dbraw/zinc/05/37/00/1120053700.db2.gz YXIGKXQKCOCIME-UHFFFAOYSA-N -1 0 337.310 3.716 20 0 EHADRM O=S(=O)([N-]c1ccccc1F)c1csc(-c2ccccc2)n1 ZINC000499503753 1128889876 /nfs/dbraw/zinc/88/98/76/1128889876.db2.gz OTRAVWPKLPBZKI-UHFFFAOYSA-N -1 0 334.397 3.750 20 0 EHADRM CC[C@@H](NCc1cc(C(F)(F)F)ccc1F)c1nc(C(=O)[O-])c[nH]1 ZINC000904064529 1120351337 /nfs/dbraw/zinc/35/13/37/1120351337.db2.gz KJBJPVQVSYKLAX-LLVKDONJSA-N -1 0 345.296 3.507 20 0 EHADRM CCc1ccccc1CNC(=O)N(CC(=O)[O-])[C@H](C)c1ccccc1 ZINC000568713228 1120353393 /nfs/dbraw/zinc/35/33/93/1120353393.db2.gz MXNOEDQHHIBCOK-OAHLLOKOSA-N -1 0 340.423 3.606 20 0 EHADRM COc1c(C)ccc([N-]S(=O)(=O)c2c(F)cccc2Cl)c1C ZINC000184800080 1120386923 /nfs/dbraw/zinc/38/69/23/1120386923.db2.gz RSMQKGICUGEHOT-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM COc1cccc(OC)c1S(=O)(=O)[N-]c1cccc2ccccc21 ZINC000186903126 1120478985 /nfs/dbraw/zinc/47/89/85/1120478985.db2.gz IAQIZFQGRVXCQL-UHFFFAOYSA-N -1 0 343.404 3.658 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc2cnn(C(C)C)c2c1 ZINC000186977723 1120482416 /nfs/dbraw/zinc/48/24/16/1120482416.db2.gz KCJVPIBUZNGXPK-UHFFFAOYSA-N -1 0 347.415 3.866 20 0 EHADRM CCCCC[C@@H]1CCCN1C(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000494230544 1120510705 /nfs/dbraw/zinc/51/07/05/1120510705.db2.gz KZSUGGOBFZDVME-GFCCVEGCSA-N -1 0 334.445 3.797 20 0 EHADRM Cc1ncc(S(=O)(=O)[N-]c2ccc(C)c(C(F)(F)F)c2)s1 ZINC000494508440 1120583561 /nfs/dbraw/zinc/58/35/61/1120583561.db2.gz ISGSVWWSLXHVKX-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM CC[C@H](C)[C@@H](C)N(C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)C1CC1 ZINC000172780851 1128930313 /nfs/dbraw/zinc/93/03/13/1128930313.db2.gz CDMYHZWEPFHPEF-LSDHHAIUSA-N -1 0 341.455 3.513 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)nn2)c1 ZINC000191035829 1120659154 /nfs/dbraw/zinc/65/91/54/1120659154.db2.gz NNNQYZPDYZPKSZ-UHFFFAOYSA-N -1 0 339.420 3.507 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1 ZINC000761650797 1120701511 /nfs/dbraw/zinc/70/15/11/1120701511.db2.gz MZRPERHFRZVXNE-YVEFUNNKSA-N -1 0 325.836 3.668 20 0 EHADRM O=C(Nc1csc(-c2ccccc2)n1)c1cc(=O)c2ccccc2[n-]1 ZINC000672331558 1128940030 /nfs/dbraw/zinc/94/00/30/1128940030.db2.gz BLWVATVAVUCZRF-UHFFFAOYSA-N -1 0 347.399 3.904 20 0 EHADRM O=S(=O)([N-]c1cccc(C(F)F)c1)c1c(F)cc(F)cc1F ZINC000195451401 1120785421 /nfs/dbraw/zinc/78/54/21/1120785421.db2.gz YBQHLLQCOSTOEP-UHFFFAOYSA-N -1 0 337.269 3.842 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2c(C)cccc2OC(F)F)c1 ZINC000195525554 1120789432 /nfs/dbraw/zinc/78/94/32/1120789432.db2.gz DSOANECXIJWDMQ-UHFFFAOYSA-N -1 0 327.352 3.706 20 0 EHADRM O=S(=O)([N-]c1ccc2ncsc2c1)c1ccc(F)cc1Cl ZINC000194156785 1120825517 /nfs/dbraw/zinc/82/55/17/1120825517.db2.gz FOWYPOZYZONHLE-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM CC(C)[C@H]1N(C(=O)c2cc(=O)[nH]c(C3CC3)n2)CC12CCCCCC2 ZINC000827994346 1128942807 /nfs/dbraw/zinc/94/28/07/1128942807.db2.gz QIINZABINIKUSF-QGZVFWFLSA-N -1 0 343.471 3.881 20 0 EHADRM CS[C@@H]1CCC[C@@H](NC(=O)c2ccc(Br)cc2O)C1 ZINC000227384149 1120878648 /nfs/dbraw/zinc/87/86/48/1120878648.db2.gz UBZMYGUVZKKIBT-GHMZBOCLSA-N -1 0 344.274 3.559 20 0 EHADRM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000236591248 1121457783 /nfs/dbraw/zinc/45/77/83/1121457783.db2.gz GECVDVKGHQTFPJ-WMLDXEAASA-N -1 0 334.460 3.681 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000236900043 1121468294 /nfs/dbraw/zinc/46/82/94/1121468294.db2.gz HHUHCTLCJFRESF-RYUDHWBXSA-N -1 0 345.361 3.911 20 0 EHADRM CCc1cc(C(=O)NC[C@@H](Cc2cccc(C)c2)C(=O)[O-])sc1C ZINC000237121941 1121474312 /nfs/dbraw/zinc/47/43/12/1121474312.db2.gz VEKXDRRYKSLHKC-MRXNPFEDSA-N -1 0 345.464 3.601 20 0 EHADRM COc1cc(CNC(=O)c2ccc(C(C)(C)C)cc2)ccc1C(=O)[O-] ZINC000237360799 1121481179 /nfs/dbraw/zinc/48/11/79/1121481179.db2.gz VDHVKUBGVAGHJM-UHFFFAOYSA-N -1 0 341.407 3.621 20 0 EHADRM Cc1ccc(NC(=O)[C@H](C)CCOc2ccccc2)cc1C(=O)[O-] ZINC000237479593 1121485016 /nfs/dbraw/zinc/48/50/16/1121485016.db2.gz RBGYHYFRVUOBIC-CQSZACIVSA-N -1 0 327.380 3.737 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(Oc3ccccc3)nc2)cc1 ZINC000238189466 1121505360 /nfs/dbraw/zinc/50/53/60/1121505360.db2.gz KXOQGUAOLGQQEM-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM COc1ccc2c(ccn2CC(=O)Nc2cc(Cl)c([O-])cc2F)c1 ZINC000672486702 1128993099 /nfs/dbraw/zinc/99/30/99/1128993099.db2.gz GRQQPYKWFFOOMW-UHFFFAOYSA-N -1 0 348.761 3.787 20 0 EHADRM COc1ccc(OC(F)(F)F)cc1CNc1ccccc1C(=O)[O-] ZINC001168497605 1121580645 /nfs/dbraw/zinc/58/06/45/1121580645.db2.gz VTHIVSSDVYIJMF-UHFFFAOYSA-N -1 0 341.285 3.904 20 0 EHADRM O=C([O-])CC1CCN(C(=O)/C=C\c2cc(Cl)ccc2Cl)CC1 ZINC000316589452 1121589653 /nfs/dbraw/zinc/58/96/53/1121589653.db2.gz XAOOFLFLDXZNRJ-RJRFIUFISA-N -1 0 342.222 3.720 20 0 EHADRM CCOc1ncc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)cc1Cl ZINC000762967889 1121618230 /nfs/dbraw/zinc/61/82/30/1121618230.db2.gz UMCQQVMQPAWVGN-UHFFFAOYSA-N -1 0 349.799 3.816 20 0 EHADRM O=C(C=Cc1cnc2ccccc2n1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000763000857 1121648739 /nfs/dbraw/zinc/64/87/39/1121648739.db2.gz MOHZJXTWOPFALK-SOFGYWHQSA-N -1 0 348.387 3.712 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)[C@H]1CCCc2sccc21)c1ccccc1 ZINC000322562298 1121657823 /nfs/dbraw/zinc/65/78/23/1121657823.db2.gz DBPNIDNDTSZWNT-LSDHHAIUSA-N -1 0 329.421 3.500 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2cc(F)c(F)cc2Cl)c1 ZINC000322735638 1121669420 /nfs/dbraw/zinc/66/94/20/1121669420.db2.gz VOFCJOKPFLNBKT-UHFFFAOYSA-N -1 0 339.725 3.888 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2cc[nH]n2)cc1)c1ccc(Cl)s1 ZINC000041017530 1121700818 /nfs/dbraw/zinc/70/08/18/1121700818.db2.gz MNXLRECCFQCKHN-UHFFFAOYSA-N -1 0 339.829 3.592 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H]2CC[C@@H](C(F)(F)F)C2)c1 ZINC000436652265 1121813490 /nfs/dbraw/zinc/81/34/90/1121813490.db2.gz LKQPRPAFIDPDDA-WDEREUQCSA-N -1 0 329.318 3.902 20 0 EHADRM CCOc1ccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1Cl ZINC000056077762 1121911179 /nfs/dbraw/zinc/91/11/79/1121911179.db2.gz IXBPNLDTQKQGCL-UHFFFAOYSA-N -1 0 342.782 3.833 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCc1ccccc1Cl)c1cccs1 ZINC000013388247 1129020350 /nfs/dbraw/zinc/02/03/50/1129020350.db2.gz UQIYWALPEAWJIU-CYBMUJFWSA-N -1 0 337.828 3.666 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)c1cccs1 ZINC000013388813 1129021201 /nfs/dbraw/zinc/02/12/01/1129021201.db2.gz FBEREJRHBGRMLC-LLVKDONJSA-N -1 0 343.326 3.713 20 0 EHADRM COC(=O)c1cc(C)ccc1NC(=O)CC1(C(=O)[O-])CCCCCC1 ZINC000326629270 1121971773 /nfs/dbraw/zinc/97/17/73/1121971773.db2.gz RQTSOZSSGWUKNV-UHFFFAOYSA-N -1 0 347.411 3.535 20 0 EHADRM C[C@H](NC(=O)N(C)CCCC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000037330382 1122225618 /nfs/dbraw/zinc/22/56/18/1122225618.db2.gz DUCPBAYNMCWKOZ-VIFPVBQESA-N -1 0 333.215 3.561 20 0 EHADRM CCc1cc(=O)[nH]c(CSCC(=O)c2c(C)[nH]c3ccccc32)n1 ZINC000125552005 1122320428 /nfs/dbraw/zinc/32/04/28/1122320428.db2.gz XTNRRJZFJWQYCR-UHFFFAOYSA-N -1 0 341.436 3.650 20 0 EHADRM CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000916803549 1122351142 /nfs/dbraw/zinc/35/11/42/1122351142.db2.gz BQPGMWDJLGQFKU-INIZCTEOSA-N -1 0 339.501 3.942 20 0 EHADRM CC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000916812573 1122353081 /nfs/dbraw/zinc/35/30/81/1122353081.db2.gz AMQWPDQVJFLHOM-UHFFFAOYSA-N -1 0 337.485 3.975 20 0 EHADRM CCOCc1cccc([N-]S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000125890393 1122354013 /nfs/dbraw/zinc/35/40/13/1122354013.db2.gz XNBVIBMNJCCOFN-UHFFFAOYSA-N -1 0 343.807 3.816 20 0 EHADRM CCC(=O)c1cccc([N-]S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000126302070 1122400335 /nfs/dbraw/zinc/40/03/35/1122400335.db2.gz WLFWNZKSNSGVRJ-UHFFFAOYSA-N -1 0 341.791 3.873 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1cccc(-n2cncn2)c1 ZINC000154718038 1122798511 /nfs/dbraw/zinc/79/85/11/1122798511.db2.gz OBNVPKDNLYYJHI-UHFFFAOYSA-N -1 0 349.177 3.532 20 0 EHADRM O=C(Nc1cccc(O)c1F)c1cc(N2CCCC2=O)ccc1Cl ZINC000129780469 1122846298 /nfs/dbraw/zinc/84/62/98/1122846298.db2.gz KYPKPHGVMIGRNY-UHFFFAOYSA-N -1 0 348.761 3.564 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc3n[nH]cc3cc2C)c(Cl)c1 ZINC000556327427 1122930699 /nfs/dbraw/zinc/93/06/99/1122930699.db2.gz XXVRSYKIUCGFNH-UHFFFAOYSA-N -1 0 335.816 3.634 20 0 EHADRM Cc1ccccc1C1(C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)CCCCC1 ZINC000262839588 1122994299 /nfs/dbraw/zinc/99/42/99/1122994299.db2.gz CXIOJFFHCQSBEA-SJORKVTESA-N -1 0 343.467 3.766 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N[C@H](CC2CCC2)c2ccccc2)CC1 ZINC000262884342 1123074924 /nfs/dbraw/zinc/07/49/24/1123074924.db2.gz FXTJYVRSOINQFS-KZNAEPCWSA-N -1 0 329.440 3.925 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)NCc1cccc(F)c1 ZINC000556710620 1123090031 /nfs/dbraw/zinc/09/00/31/1123090031.db2.gz WAOQQNOQISSRRJ-QGZVFWFLSA-N -1 0 344.386 3.573 20 0 EHADRM Fc1ccc(C2CCC(N=c3[n-]c(C4CCOCC4)no3)CC2)cc1 ZINC000556839610 1123144657 /nfs/dbraw/zinc/14/46/57/1123144657.db2.gz KYUFUUDQECLROP-UHFFFAOYSA-N -1 0 345.418 3.663 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C(C)=O)cn2)cc1 ZINC000131708200 1123169326 /nfs/dbraw/zinc/16/93/26/1123169326.db2.gz UZTAUXGQQJCIQD-GFCCVEGCSA-N -1 0 332.425 3.599 20 0 EHADRM O=C(Nc1cccc(NC(=O)C2CC2)c1)c1ccc(Cl)cc1[O-] ZINC000074102304 1123250325 /nfs/dbraw/zinc/25/03/25/1123250325.db2.gz AHZMKQLYYBSZHH-UHFFFAOYSA-N -1 0 330.771 3.646 20 0 EHADRM Cc1cc2cccnc2c([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000132802189 1123302181 /nfs/dbraw/zinc/30/21/81/1123302181.db2.gz UTXWYEQSLKOBJJ-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM Cc1ncc(CSc2n[n-]c(=Nc3cccc(F)c3)s2)s1 ZINC000499302716 1123338028 /nfs/dbraw/zinc/33/80/28/1123338028.db2.gz UQAKCXQWRYRXKB-UHFFFAOYSA-N -1 0 338.458 3.900 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)C[C@H]2CCCC[C@H]2C)cc1 ZINC000920788768 1123423625 /nfs/dbraw/zinc/42/36/25/1123423625.db2.gz JIALPQDIVWSSAO-GDBMZVCRSA-N -1 0 337.485 3.660 20 0 EHADRM O=C([O-])c1cccc2c1CN(C(=O)CCc1ccc(Cl)cc1)CC2 ZINC000649257219 1123454468 /nfs/dbraw/zinc/45/44/68/1123454468.db2.gz AMYWZQZIEBLJFL-UHFFFAOYSA-N -1 0 343.810 3.556 20 0 EHADRM O=C(Nc1n[nH]c(-c2ccccc2Cl)n1)c1ccc([O-])c(Cl)c1 ZINC000076365733 1123490348 /nfs/dbraw/zinc/49/03/48/1123490348.db2.gz QIPVIZMPCSITEE-UHFFFAOYSA-N -1 0 349.177 3.736 20 0 EHADRM C[C@H](C(=O)NCCc1ccc(C(=O)[O-])cc1)c1cc2ccccc2o1 ZINC000237429888 1123518379 /nfs/dbraw/zinc/51/83/79/1123518379.db2.gz WNUBIBFRWQOBRF-ZDUSSCGKSA-N -1 0 337.375 3.593 20 0 EHADRM O=C(c1c([O-])cc(F)cc1F)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000066047164 1129127443 /nfs/dbraw/zinc/12/74/43/1129127443.db2.gz ABXGUJCPJTWARQ-AWEZNQCLSA-N -1 0 335.325 3.657 20 0 EHADRM CCOc1cc(-c2nc(=O)c3c(C)csc3[nH]2)cc(Cl)c1[O-] ZINC000077251524 1123542125 /nfs/dbraw/zinc/54/21/25/1123542125.db2.gz MHCQZHODASKPOZ-UHFFFAOYSA-N -1 0 336.800 3.718 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1)C(=O)[O-] ZINC000263185138 1123550642 /nfs/dbraw/zinc/55/06/42/1123550642.db2.gz WSGPKHGBAYFMEN-NXOUGTEYSA-N -1 0 341.382 3.831 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)[C@H]2C[C@@H]2c2c(F)cccc2Cl)cc1 ZINC000238121333 1123564080 /nfs/dbraw/zinc/56/40/80/1123564080.db2.gz SEVPZTQIHVSQHV-STQMWFEESA-N -1 0 347.773 3.597 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)cc(C)c2O)c1 ZINC000135091120 1123581550 /nfs/dbraw/zinc/58/15/50/1123581550.db2.gz LLVVVLAPRPSZAN-UHFFFAOYSA-N -1 0 325.817 3.772 20 0 EHADRM Cc1cc(Cl)cc([N-]S(=O)(=O)c2cc(F)ccc2C)c1O ZINC000135091143 1123581735 /nfs/dbraw/zinc/58/17/35/1123581735.db2.gz HEJWUFFMWIGRRC-UHFFFAOYSA-N -1 0 329.780 3.602 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2N(C)C)s1 ZINC000078329406 1123620180 /nfs/dbraw/zinc/62/01/80/1123620180.db2.gz UJSGKHPVXAVAHG-UHFFFAOYSA-N -1 0 330.862 3.577 20 0 EHADRM Cc1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1C(=O)[O-] ZINC000078756590 1123649743 /nfs/dbraw/zinc/64/97/43/1123649743.db2.gz DVGJTHYWWXVLDC-UHFFFAOYSA-N -1 0 341.388 3.647 20 0 EHADRM CC(C)(C)OC1CC(CC(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)C1 ZINC000615280508 1123771188 /nfs/dbraw/zinc/77/11/88/1123771188.db2.gz FHDCGOZFUCIPFM-UHFFFAOYSA-N -1 0 343.427 3.705 20 0 EHADRM C[C@H](NCc1cc(Cl)cc(Cl)c1[O-])C(=O)OC1CCCC1 ZINC000237568662 1123771506 /nfs/dbraw/zinc/77/15/06/1123771506.db2.gz LOWSKEXGNZKITD-VIFPVBQESA-N -1 0 332.227 3.663 20 0 EHADRM C[C@H]1CCc2c(C(=O)N3CCCC[C@H]3CCC(=O)[O-])csc2C1 ZINC000237612386 1123790671 /nfs/dbraw/zinc/79/06/71/1123790671.db2.gz PZODCMNDLGGMMG-STQMWFEESA-N -1 0 335.469 3.732 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)C[C@@H]1CCCc2ccccc21 ZINC000237927947 1123918752 /nfs/dbraw/zinc/91/87/52/1123918752.db2.gz QZTFWBUEWXJDPA-IRXDYDNUSA-N -1 0 329.440 3.743 20 0 EHADRM O=C([O-])c1ccoc1CSc1ccccc1C(=O)NC1CCCC1 ZINC000237967467 1123928972 /nfs/dbraw/zinc/92/89/72/1123928972.db2.gz IJQOTCDKKOCHTC-UHFFFAOYSA-N -1 0 345.420 3.943 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)c2csc(-c3ccoc3)n2)cc1 ZINC000237959132 1123931388 /nfs/dbraw/zinc/93/13/88/1123931388.db2.gz KPOFVIWHDNRPAG-ZZXKWVIFSA-N -1 0 340.360 3.753 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)CCCCCc2cccs2)c1 ZINC000237977683 1123932068 /nfs/dbraw/zinc/93/20/68/1123932068.db2.gz KIUMBHNEQFBVGZ-UHFFFAOYSA-N -1 0 347.436 3.953 20 0 EHADRM C[C@@H](CCC(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000263537397 1124028884 /nfs/dbraw/zinc/02/88/84/1124028884.db2.gz PGDHWYGGNKIOEK-KBXCAEBGSA-N -1 0 343.398 3.694 20 0 EHADRM CCCC[C@H](C)C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC000263553246 1124086455 /nfs/dbraw/zinc/08/64/55/1124086455.db2.gz XNKAKBONLBQISJ-VBNZEHGJSA-N -1 0 337.847 3.793 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)N=c1[n-]nc(C)s1)c1ccc(Cl)cc1 ZINC000466073779 1129176339 /nfs/dbraw/zinc/17/63/39/1129176339.db2.gz ZXMWAIZQOTWFFR-RNCFNFMXSA-N -1 0 338.864 3.831 20 0 EHADRM CCCCCC(=O)[N-]S(=O)(=O)c1cc(C(C)(C)C)ccc1C ZINC000069475881 1124804243 /nfs/dbraw/zinc/80/42/43/1124804243.db2.gz UKOFFOJPHFBZST-UHFFFAOYSA-N -1 0 325.474 3.678 20 0 EHADRM O=C(C=Cc1ccccc1)[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000069595367 1124921368 /nfs/dbraw/zinc/92/13/68/1124921368.db2.gz HOYDOVMXWPEODC-MDZDMXLPSA-N -1 0 338.388 3.593 20 0 EHADRM CCCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000735217131 1131322437 /nfs/dbraw/zinc/32/24/37/1131322437.db2.gz VJQTWQZFFUUVIH-LBPRGKRZSA-N -1 0 346.880 3.537 20 0 EHADRM CC(C)(C)c1ccc(C[C@@]2(C)CCCN2C(=O)c2cc(=O)[nH][n-]2)cc1 ZINC000618107352 1124987410 /nfs/dbraw/zinc/98/74/10/1124987410.db2.gz SXHNCOXFHSLISL-HXUWFJFHSA-N -1 0 341.455 3.650 20 0 EHADRM Cc1cnc([C@H](C)C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])s1 ZINC000182171063 1125190463 /nfs/dbraw/zinc/19/04/63/1125190463.db2.gz PHXMXVFOSKUNPU-XUNMKLQISA-N -1 0 339.804 3.941 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N(Cc1ccccc1F)CC1CC1 ZINC000618966220 1125250278 /nfs/dbraw/zinc/25/02/78/1125250278.db2.gz OBHNXPDZSXLCLF-UHFFFAOYSA-N -1 0 335.325 3.862 20 0 EHADRM O=C(NC1CCC2(CC2(F)F)CC1)c1cc(F)c(F)c([O-])c1F ZINC000619230759 1125321440 /nfs/dbraw/zinc/32/14/40/1125321440.db2.gz YILLHXQWCLDOHK-UHFFFAOYSA-N -1 0 335.272 3.507 20 0 EHADRM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1scnc1C(C)C ZINC000649682572 1125373255 /nfs/dbraw/zinc/37/32/55/1125373255.db2.gz HQDUXMUKFNOWSM-UHFFFAOYSA-N -1 0 346.861 3.729 20 0 EHADRM O=S(=O)(Nc1ccc(F)cc1C(F)(F)F)c1ccc(F)cc1 ZINC000152975116 1125409393 /nfs/dbraw/zinc/40/93/93/1125409393.db2.gz XUDBOWBOGVYEJF-UHFFFAOYSA-N -1 0 337.269 3.784 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N2CC[C@](C(=O)[O-])(C(C)C)C2)c1 ZINC000262585573 1125435094 /nfs/dbraw/zinc/43/50/94/1125435094.db2.gz ZRQWBGAPCHHTOM-MRXNPFEDSA-N -1 0 341.860 3.635 20 0 EHADRM C[C@H](Sc1n[n-]c(=NCc2ccc(F)cc2)s1)c1ccncc1 ZINC000619950649 1125442187 /nfs/dbraw/zinc/44/21/87/1125442187.db2.gz CCKUAVANIDOLDU-NSHDSACASA-N -1 0 346.456 3.960 20 0 EHADRM COC[C@H](C)Oc1cccc(-c2ccc3c(c2)[C@H](C(=O)[O-])CCO3)c1 ZINC000657205370 1129208144 /nfs/dbraw/zinc/20/81/44/1129208144.db2.gz SVLCTEXKHDCFEB-SUMWQHHRSA-N -1 0 342.391 3.718 20 0 EHADRM O=C([O-])c1cnc(C=Cc2cccc(OCc3ccccc3)c2)[nH]c1=O ZINC000670369936 1129211303 /nfs/dbraw/zinc/21/13/03/1129211303.db2.gz LRHAVWKSBJAPER-MDZDMXLPSA-N -1 0 348.358 3.630 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccsc2)s1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000466132435 1129238759 /nfs/dbraw/zinc/23/87/59/1129238759.db2.gz NOHYBDSTGGJAJI-GMXVVIOVSA-N -1 0 348.497 3.779 20 0 EHADRM Cc1ccc(CNC(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])o1 ZINC001168706625 1129247610 /nfs/dbraw/zinc/24/76/10/1129247610.db2.gz DKWZBYPOQUARPN-UHFFFAOYSA-N -1 0 339.395 3.533 20 0 EHADRM Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1ccccc1C ZINC000543166385 1129308416 /nfs/dbraw/zinc/30/84/16/1129308416.db2.gz RDGIQOGYVMIBDA-UHFFFAOYSA-N -1 0 333.457 3.806 20 0 EHADRM C[C@@H](c1ccccc1)N(C(=O)c1n[n-]c2ccccc2c1=O)C1CC1 ZINC000735655111 1131370601 /nfs/dbraw/zinc/37/06/01/1131370601.db2.gz AAWVMJRCLFITOQ-ZDUSSCGKSA-N -1 0 333.391 3.701 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)c2cncc(-c3ccccc3)c2)s[n-]1 ZINC000466334069 1129392082 /nfs/dbraw/zinc/39/20/82/1129392082.db2.gz FPJNSPSIKLLMSQ-UHFFFAOYSA-N -1 0 338.436 3.572 20 0 EHADRM CC(C)Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000013177907 1129508900 /nfs/dbraw/zinc/50/89/00/1129508900.db2.gz FYFQEILELFKXCN-GOSISDBHSA-N -1 0 343.398 3.970 20 0 EHADRM O=C(NC[C@@H]1CCCc2ccccc21)c1ccc2[n-]c(=S)oc2c1 ZINC000735846898 1131384159 /nfs/dbraw/zinc/38/41/59/1131384159.db2.gz YGLXDJSXPQTIJV-AWEZNQCLSA-N -1 0 338.432 3.966 20 0 EHADRM O=C(NCCOc1cccc(Cl)c1)c1ccc2[n-]c(=S)oc2c1 ZINC000735848880 1131385786 /nfs/dbraw/zinc/38/57/86/1131385786.db2.gz CGSSZPFYRPHCMP-UHFFFAOYSA-N -1 0 348.811 3.579 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1cccc(SC)c1 ZINC000509061294 1129709167 /nfs/dbraw/zinc/70/91/67/1129709167.db2.gz RHENGDDYRCEQBW-UHFFFAOYSA-N -1 0 337.466 3.998 20 0 EHADRM CCc1ccc(C(=O)[C@@H](C)OC(=O)c2c(F)cc([O-])cc2F)cc1 ZINC000735952719 1131393838 /nfs/dbraw/zinc/39/38/38/1131393838.db2.gz RPQUARGVIXWIHP-SNVBAGLBSA-N -1 0 334.318 3.661 20 0 EHADRM COc1ccc(CN=c2[n-]nc(C(C)C)s2)cc1OCC(C)C ZINC000347785764 1129777176 /nfs/dbraw/zinc/77/71/76/1129777176.db2.gz BBDZETSYAHRCOF-UHFFFAOYSA-N -1 0 335.473 3.739 20 0 EHADRM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CC1(C(=O)[O-])CCCC1 ZINC000302795845 1129792572 /nfs/dbraw/zinc/79/25/72/1129792572.db2.gz CZRMGYFXKVHGGB-HNNXBMFYSA-N -1 0 329.440 3.849 20 0 EHADRM CCCc1n[n-]c(=NCc2cccc(OCC)c2OC(F)F)s1 ZINC000347828227 1129895368 /nfs/dbraw/zinc/89/53/68/1129895368.db2.gz WOUAYUYDXDIOPD-UHFFFAOYSA-N -1 0 343.399 3.525 20 0 EHADRM CCCCCOc1ccc(S(=O)(=O)[N-]c2cc(CC)on2)cc1 ZINC000673897288 1129899598 /nfs/dbraw/zinc/89/95/98/1129899598.db2.gz ABFQRSYOVBPSQC-UHFFFAOYSA-N -1 0 338.429 3.607 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(N3CCCC3=O)cc2)c(F)c1F ZINC001212513177 1129924487 /nfs/dbraw/zinc/92/44/87/1129924487.db2.gz CUYKXBTTYHXVKY-UHFFFAOYSA-N -1 0 332.306 3.533 20 0 EHADRM c1cc(Cc2n[n-]c(=NCc3cccc(-c4ccccn4)c3)o2)cs1 ZINC000347863008 1129942102 /nfs/dbraw/zinc/94/21/02/1129942102.db2.gz ABRUYAAVNJXDMI-UHFFFAOYSA-N -1 0 348.431 3.818 20 0 EHADRM Cc1noc(Cl)c1CCC(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000163664796 1129944268 /nfs/dbraw/zinc/94/42/68/1129944268.db2.gz KFWJBRZEDCQWJA-UHFFFAOYSA-N -1 0 337.788 3.638 20 0 EHADRM COc1cccc(CN=c2[n-]nc(CC3CCCC3)o2)c1OC(C)C ZINC000347883755 1129976780 /nfs/dbraw/zinc/97/67/80/1129976780.db2.gz PKXKNWTYKYVRJH-UHFFFAOYSA-N -1 0 345.443 3.632 20 0 EHADRM O=C(Cc1csc2ccccc12)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000466627490 1129992115 /nfs/dbraw/zinc/99/21/15/1129992115.db2.gz QDNYMRGATPJSCX-UHFFFAOYSA-N -1 0 345.427 3.961 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2O)cc1 ZINC000172592080 1130146148 /nfs/dbraw/zinc/14/61/48/1130146148.db2.gz ABJLUTWZGRFABI-UHFFFAOYSA-N -1 0 329.830 3.568 20 0 EHADRM CSc1ccncc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000674715096 1130178979 /nfs/dbraw/zinc/17/89/79/1130178979.db2.gz KZOYAFTWXHZFEB-UHFFFAOYSA-N -1 0 348.371 3.623 20 0 EHADRM CCc1nc(S(=O)(=O)Cc2ccc(C(C)C)cc2C(C)C)n[nH]1 ZINC000674754574 1130187247 /nfs/dbraw/zinc/18/72/47/1130187247.db2.gz WLYINWUUBBWMKP-UHFFFAOYSA-N -1 0 335.473 3.588 20 0 EHADRM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2cccc3ccncc32)c1 ZINC000674868690 1130212488 /nfs/dbraw/zinc/21/24/88/1130212488.db2.gz BAUVJHQPWPSNCG-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM CCCOc1ccc(C(F)(F)F)cc1NC(=O)CC(C)(C)C(=O)[O-] ZINC000674945717 1130228109 /nfs/dbraw/zinc/22/81/09/1130228109.db2.gz LVHRXNBBZSGYNF-UHFFFAOYSA-N -1 0 347.333 3.934 20 0 EHADRM C[C@H](C[C@@H]1CCOC1)NC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000675415718 1130361469 /nfs/dbraw/zinc/36/14/69/1130361469.db2.gz IMOVXSNNXHCSKH-NEPJUHHUSA-N -1 0 333.815 3.744 20 0 EHADRM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1cccc(C)c1O ZINC000675439198 1130374839 /nfs/dbraw/zinc/37/48/39/1130374839.db2.gz RSYDVWADGNEIQX-UHFFFAOYSA-N -1 0 335.356 3.695 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NCCc1ccc(-c2ccccc2)cc1 ZINC000675723450 1130461924 /nfs/dbraw/zinc/46/19/24/1130461924.db2.gz STDXSBBFWYKDEQ-UXHICEINSA-N -1 0 349.430 3.679 20 0 EHADRM CC(C)(CC(=O)NCCc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000675721828 1130462016 /nfs/dbraw/zinc/46/20/16/1130462016.db2.gz FYRARSGSPVGVKT-UHFFFAOYSA-N -1 0 325.408 3.513 20 0 EHADRM CC(C)c1cc(C(=O)N(CC(=O)[O-])C2CCCCC2)nn1C(C)(C)C ZINC000675993398 1130513291 /nfs/dbraw/zinc/51/32/91/1130513291.db2.gz FBKHDKUPAGTKIK-UHFFFAOYSA-N -1 0 349.475 3.621 20 0 EHADRM O=C([O-])CN(C(=O)CCc1ccc(Cl)s1)C1CCCCC1 ZINC000675993863 1130513666 /nfs/dbraw/zinc/51/36/66/1130513666.db2.gz SQAAZCSOYRCIDW-UHFFFAOYSA-N -1 0 329.849 3.580 20 0 EHADRM O=C([O-])CN(C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)C1CCCCC1 ZINC000675994023 1130517274 /nfs/dbraw/zinc/51/72/74/1130517274.db2.gz VXWBIRMYQWTKFT-RYUDHWBXSA-N -1 0 335.366 3.601 20 0 EHADRM CC(C)c1ccc(SCC(=O)NCC2(C(=O)[O-])CCCC2)cc1 ZINC000676023914 1130518416 /nfs/dbraw/zinc/51/84/16/1130518416.db2.gz URWSNMKUURQKHF-UHFFFAOYSA-N -1 0 335.469 3.663 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)C2(c3cccc(F)c3)CCCCC2)C1 ZINC000676218156 1130547040 /nfs/dbraw/zinc/54/70/40/1130547040.db2.gz INNRFLQKESTVFK-OAHLLOKOSA-N -1 0 347.430 3.741 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)c2n[n-]c3ccccc3c2=O)c1 ZINC000732277113 1130904730 /nfs/dbraw/zinc/90/47/30/1130904730.db2.gz AIISTPGXIKMGOF-LBPRGKRZSA-N -1 0 337.379 3.765 20 0 EHADRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1oc2c(cccc2C)c1C ZINC000732903009 1130971423 /nfs/dbraw/zinc/97/14/23/1130971423.db2.gz FABDASKVXDSVNO-LLVKDONJSA-N -1 0 337.441 3.545 20 0 EHADRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)C[C@@H](c1ccccc1)C(C)C ZINC000732904325 1130971600 /nfs/dbraw/zinc/97/16/00/1130971600.db2.gz DCHBDWDAADWSHW-DOTOQJQBSA-N -1 0 339.501 3.699 20 0 EHADRM CCC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccccc1C ZINC000733677230 1131066153 /nfs/dbraw/zinc/06/61/53/1131066153.db2.gz VIHOQYKJNDNCDN-MRXNPFEDSA-N -1 0 337.485 3.797 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)C2CCCCCCC2)c1 ZINC000738113823 1131463192 /nfs/dbraw/zinc/46/31/92/1131463192.db2.gz CIDIZEQUEUPBHA-KRWDZBQOSA-N -1 0 333.428 3.688 20 0 EHADRM O=C(CC/C=C/c1ccccc1)[N-]S(=O)(=O)CC1CCCCC1 ZINC000739174783 1131492353 /nfs/dbraw/zinc/49/23/53/1131492353.db2.gz PKIHEOWODRMWNR-YRNVUSSQSA-N -1 0 335.469 3.506 20 0 EHADRM CCC(CC)CS(=O)(=O)[N-]C(=O)C[C@@H](CC)c1ccc(C)cc1 ZINC000739187581 1131493418 /nfs/dbraw/zinc/49/34/18/1131493418.db2.gz RECUAJJWFAMAOT-MRXNPFEDSA-N -1 0 339.501 3.761 20 0 EHADRM Cc1cccc(F)c1CNC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1 ZINC000743246320 1131883301 /nfs/dbraw/zinc/88/33/01/1131883301.db2.gz FNYBJYONCVEUKK-IBGZPJMESA-N -1 0 335.419 3.812 20 0 EHADRM CSCC[C@@H](C)NC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000743462421 1131926177 /nfs/dbraw/zinc/92/61/77/1131926177.db2.gz XLDYIFGFVKDRJU-CYBMUJFWSA-N -1 0 347.484 3.573 20 0 EHADRM CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(C)sc1C ZINC000744078877 1132016888 /nfs/dbraw/zinc/01/68/88/1132016888.db2.gz AZJLNLCXXWCJMC-LLVKDONJSA-N -1 0 331.503 3.776 20 0 EHADRM CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000744108778 1132020114 /nfs/dbraw/zinc/02/01/14/1132020114.db2.gz LKHXUZJXQLNUKW-CQSZACIVSA-N -1 0 348.468 3.646 20 0 EHADRM COc1cccc(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)c1F ZINC001173972883 1132204578 /nfs/dbraw/zinc/20/45/78/1132204578.db2.gz QWRVPRNFYJURKA-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM O=C(Nc1ccccc1)c1ccc(Nc2cc(=O)[n-]c(Cl)n2)cc1 ZINC001174162010 1132261524 /nfs/dbraw/zinc/26/15/24/1132261524.db2.gz TZSCKUVSAIGMGI-UHFFFAOYSA-N -1 0 340.770 3.832 20 0 EHADRM O=C(c1cccc(Nc2ccc(Cl)cc2[S-])c1)N1CCOCC1 ZINC001174180586 1132270977 /nfs/dbraw/zinc/27/09/77/1132270977.db2.gz PRFKHSWIJQGCDD-UHFFFAOYSA-N -1 0 348.855 3.845 20 0 EHADRM Cc1cc(Nc2cccc(/C=C/C(=O)[O-])c2)n(CC(F)(F)F)n1 ZINC001174495844 1132371751 /nfs/dbraw/zinc/37/17/51/1132371751.db2.gz ZHOAEBLHOHUNOL-AATRIKPKSA-N -1 0 325.290 3.595 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2cnc(F)c(Br)c2)c1 ZINC001174495810 1132371847 /nfs/dbraw/zinc/37/18/47/1132371847.db2.gz XJTOMNHUCRFMNU-SNAWJCMRSA-N -1 0 337.148 3.825 20 0 EHADRM COc1cccc(Cn2nccc2Nc2cccc(/C=C/C(=O)[O-])c2)c1 ZINC001174495936 1132372253 /nfs/dbraw/zinc/37/22/53/1132372253.db2.gz XPJBNLWQAQCICL-CMDGGOBGSA-N -1 0 349.390 3.781 20 0 EHADRM CC1(C)NC(=O)Nc2ccc(Nc3cccc(/C=C/C(=O)[O-])c3)cc21 ZINC001174497424 1132373482 /nfs/dbraw/zinc/37/34/82/1132373482.db2.gz QZBFBXWTMPDOHN-RMKNXTFCSA-N -1 0 337.379 3.898 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2ccc(O)cc2Br)c1 ZINC001174500534 1132390753 /nfs/dbraw/zinc/39/07/53/1132390753.db2.gz UTGJXENHUQHZNZ-QPJJXVBHSA-N -1 0 334.169 3.996 20 0 EHADRM CC1(OCC(=O)Nc2cc(Cl)cc(Br)c2[O-])CCC1 ZINC000746289961 1132397725 /nfs/dbraw/zinc/39/77/25/1132397725.db2.gz DSJGGNYYCPPHSK-UHFFFAOYSA-N -1 0 348.624 3.706 20 0 EHADRM COc1cc(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)ccc1O ZINC001174544292 1132411609 /nfs/dbraw/zinc/41/16/09/1132411609.db2.gz NXWADYZAHNXDLD-UHFFFAOYSA-N -1 0 345.376 3.544 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cccc2c1OCC[C@H]2OC ZINC001174675966 1132432772 /nfs/dbraw/zinc/43/27/72/1132432772.db2.gz ZQTMKVUUMNYLOB-OAHLLOKOSA-N -1 0 329.352 3.607 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ncccc1N1CCCCC1 ZINC001174675363 1132432875 /nfs/dbraw/zinc/43/28/75/1132432875.db2.gz YZBLCFXKXPAGAO-UHFFFAOYSA-N -1 0 327.384 3.522 20 0 EHADRM COC(=O)c1ccc(Nc2ccc(C(=O)[O-])cc2OC)cc1Cl ZINC001174677168 1132433965 /nfs/dbraw/zinc/43/39/65/1132433965.db2.gz KHMPCCMRLMTZRU-UHFFFAOYSA-N -1 0 335.743 3.577 20 0 EHADRM COc1cc(Nc2nc(C)ccc2Br)ccc1C(=O)[O-] ZINC001174681489 1132435011 /nfs/dbraw/zinc/43/50/11/1132435011.db2.gz VAWXWQXPDHOJQH-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM COc1cc(Nc2ccc(-n3nc(C)cc3C)cc2)ccc1C(=O)[O-] ZINC001174687553 1132436753 /nfs/dbraw/zinc/43/67/53/1132436753.db2.gz XWTUFFLSUOTVLZ-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1O ZINC000189305211 1132444904 /nfs/dbraw/zinc/44/49/04/1132444904.db2.gz SWFVJNDGNQHBRX-UHFFFAOYSA-N -1 0 345.342 3.606 20 0 EHADRM CCc1ncc(Br)cc1Nc1ccc(C(=O)[O-])s1 ZINC001174806766 1132478172 /nfs/dbraw/zinc/47/81/72/1132478172.db2.gz DSVOJRFWNYRTJW-UHFFFAOYSA-N -1 0 327.203 3.910 20 0 EHADRM O=C([O-])c1ccc(Nc2cccc(F)c2OC[C@@H]2CCCO2)s1 ZINC001174808485 1132479151 /nfs/dbraw/zinc/47/91/51/1132479151.db2.gz RTTHPTRTNONYQX-JTQLQIEISA-N -1 0 337.372 3.887 20 0 EHADRM COc1cccc(C(=O)C(F)(F)F)c1Nc1ccc(C(=O)[O-])s1 ZINC001174813232 1132481814 /nfs/dbraw/zinc/48/18/14/1132481814.db2.gz VSYNPWDEGWFUCU-UHFFFAOYSA-N -1 0 345.298 3.944 20 0 EHADRM COc1cc(F)c(Nc2ccc(S(=O)(=O)[O-])cc2Cl)cc1F ZINC001174931771 1132511172 /nfs/dbraw/zinc/51/11/72/1132511172.db2.gz XNRYUZUQYLDKGI-UHFFFAOYSA-N -1 0 349.742 3.617 20 0 EHADRM CCOC(=O)c1sc(Nc2ccc(CC(=O)[O-])cc2)nc1C1CC1 ZINC001174948958 1132515971 /nfs/dbraw/zinc/51/59/71/1132515971.db2.gz DKHREBDDUROFCC-UHFFFAOYSA-N -1 0 346.408 3.568 20 0 EHADRM CCOC(=O)c1cc(Nc2ccc(CC(=O)[O-])cc2)ccc1Cl ZINC001174952878 1132516320 /nfs/dbraw/zinc/51/63/20/1132516320.db2.gz CHYNOHAZFCRBOV-UHFFFAOYSA-N -1 0 333.771 3.887 20 0 EHADRM O=C([O-])Cc1ccc(Nc2ccccc2OCC(F)(F)F)cc1 ZINC001174954428 1132517362 /nfs/dbraw/zinc/51/73/62/1132517362.db2.gz KRGOEBRPVIJHSU-UHFFFAOYSA-N -1 0 325.286 3.998 20 0 EHADRM O=C([O-])Cc1ccc(Nc2ccccc2-c2nc(CO)cs2)cc1 ZINC001174955600 1132517550 /nfs/dbraw/zinc/51/75/50/1132517550.db2.gz BFAOFCAMAYUZRI-UHFFFAOYSA-N -1 0 340.404 3.673 20 0 EHADRM COc1cc(F)cc(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)c1 ZINC001175009862 1132528316 /nfs/dbraw/zinc/52/83/16/1132528316.db2.gz XRNDESCNRHJPNI-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM COc1cc(F)cc(Nc2ccc3ccccc3c2S(=O)(=O)[O-])c1 ZINC001175010711 1132529851 /nfs/dbraw/zinc/52/98/51/1132529851.db2.gz OEVLAEIYWUICFJ-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1ccc2ncc(Br)n2c1 ZINC001174982312 1132535349 /nfs/dbraw/zinc/53/53/49/1132535349.db2.gz YVDIMLMXJWQQQJ-UHFFFAOYSA-N -1 0 346.184 3.847 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1cc(OC(F)(F)F)ccc1N ZINC001174984014 1132535471 /nfs/dbraw/zinc/53/54/71/1132535471.db2.gz IYSIBJUWEMNSKJ-UHFFFAOYSA-N -1 0 326.274 3.918 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1ccnn1Cc1ccccc1F ZINC001174982235 1132535557 /nfs/dbraw/zinc/53/55/57/1132535557.db2.gz WYYFGYHQWDOOCH-UHFFFAOYSA-N -1 0 325.343 3.821 20 0 EHADRM CC(C)COc1cc(F)cc(Nc2ccc(S(=O)(=O)[O-])cc2)c1 ZINC001175060883 1132538038 /nfs/dbraw/zinc/53/80/38/1132538038.db2.gz QSHVOCGXTQGDFA-UHFFFAOYSA-N -1 0 339.388 3.851 20 0 EHADRM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)C2CCN(C(=O)[O-])CC2)cc1 ZINC000738266120 1132552854 /nfs/dbraw/zinc/55/28/54/1132552854.db2.gz UBVXUWQXHLGYDY-YJBOKZPZSA-N -1 0 344.455 3.685 20 0 EHADRM Cc1ccc2c(CC(=O)Nc3ccc(/C=C\C(=O)[O-])cc3)c[nH]c2c1 ZINC000738293420 1132554982 /nfs/dbraw/zinc/55/49/82/1132554982.db2.gz QIQYOTDFZWLMKZ-UITAMQMPSA-N -1 0 334.375 3.755 20 0 EHADRM CCOc1cccc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])c1 ZINC001175093549 1132566259 /nfs/dbraw/zinc/56/62/59/1132566259.db2.gz UEQJXCZZXALEIA-UHFFFAOYSA-N -1 0 327.789 3.729 20 0 EHADRM CC(C)(C)c1nnc2ccc(Nc3ccc(C(=O)[O-])c(F)c3)cn21 ZINC001175157315 1132569759 /nfs/dbraw/zinc/56/97/59/1132569759.db2.gz DPMQETWNLKTCSI-UHFFFAOYSA-N -1 0 328.347 3.608 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(OCC(F)(F)F)nc2)cc1F ZINC001175160758 1132571732 /nfs/dbraw/zinc/57/17/32/1132571732.db2.gz IYBRVDSMNZPQRH-UHFFFAOYSA-N -1 0 330.237 3.604 20 0 EHADRM O=C(CSc1cccc(Br)c1)[N-]Oc1ccccc1 ZINC000773463735 1132574080 /nfs/dbraw/zinc/57/40/80/1132574080.db2.gz FWDISBCBVVBLIN-UHFFFAOYSA-N -1 0 338.226 3.651 20 0 EHADRM CCOc1cc(-n2[n-]c(=O)c3ccc(N)cc32)cc(C(F)(F)F)c1 ZINC001175140973 1132579859 /nfs/dbraw/zinc/57/98/59/1132579859.db2.gz ZBNOEHPFQGCKGR-UHFFFAOYSA-N -1 0 337.301 3.731 20 0 EHADRM O=C([O-])c1cc(Nc2cc(O)ccc2Br)ccc1F ZINC001175218435 1132598094 /nfs/dbraw/zinc/59/80/94/1132598094.db2.gz CJVOWBVHQGLRNO-UHFFFAOYSA-N -1 0 326.121 3.736 20 0 EHADRM CCN(CC)C(=O)c1ccccc1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175221599 1132598607 /nfs/dbraw/zinc/59/86/07/1132598607.db2.gz MLBBHEREKLVHGX-UHFFFAOYSA-N -1 0 330.359 3.750 20 0 EHADRM O=C([O-])c1cc(Nc2c(F)cccc2OC2CCOCC2)ccc1F ZINC001175221718 1132599158 /nfs/dbraw/zinc/59/91/58/1132599158.db2.gz OIRCFYMNEAGNGO-UHFFFAOYSA-N -1 0 349.333 3.964 20 0 EHADRM O=C([O-])c1cc(Nc2ccc(Oc3ncccn3)cc2)ccc1F ZINC001175220664 1132599196 /nfs/dbraw/zinc/59/91/96/1132599196.db2.gz WBKVFENOYZDHRV-UHFFFAOYSA-N -1 0 325.299 3.850 20 0 EHADRM COCCOc1cccc(F)c1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175322607 1132638839 /nfs/dbraw/zinc/63/88/39/1132638839.db2.gz ZLGQYUHHGFHPCL-UHFFFAOYSA-N -1 0 339.750 3.946 20 0 EHADRM COc1cccc(Cn2ncc(C)c2Nc2cccc(C(=O)[O-])c2)c1 ZINC001175328460 1132640233 /nfs/dbraw/zinc/64/02/33/1132640233.db2.gz IMSQZOLEGBZDIP-UHFFFAOYSA-N -1 0 337.379 3.690 20 0 EHADRM CCOC(=O)c1nc(C)oc1[N-]c1c(F)c(F)c(F)c(F)c1F ZINC001175383390 1132655962 /nfs/dbraw/zinc/65/59/62/1132655962.db2.gz XQUHNBZXQZGJFO-UHFFFAOYSA-N -1 0 336.216 3.599 20 0 EHADRM Cn1cc2cc(Nc3c(Cl)c(F)[n-]c(=O)c3Cl)ccc2n1 ZINC001175616323 1132726922 /nfs/dbraw/zinc/72/69/22/1132726922.db2.gz DDKMDWWAKBCSGW-UHFFFAOYSA-N -1 0 327.146 3.863 20 0 EHADRM COc1cc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)ccc1Cl ZINC001175776565 1132763218 /nfs/dbraw/zinc/76/32/18/1132763218.db2.gz IUNHDWUBKSFYRW-UHFFFAOYSA-N -1 0 348.207 3.992 20 0 EHADRM O=c1cc(CNc2ccc(OCc3ccccc3)c(F)c2F)o[n-]1 ZINC001169484892 1132765100 /nfs/dbraw/zinc/76/51/00/1132765100.db2.gz AGXAKZZQMQKSBH-UHFFFAOYSA-N -1 0 332.306 3.850 20 0 EHADRM CC(=O)Nc1ccc(Nc2cncc(C(=O)[O-])c2)cc1C(F)(F)F ZINC001175841827 1132772988 /nfs/dbraw/zinc/77/29/88/1132772988.db2.gz YZJRHZTXZCWDGT-UHFFFAOYSA-N -1 0 339.273 3.501 20 0 EHADRM O=C([O-])c1cncc(Nc2cc(F)c(Br)cc2F)c1 ZINC001175842168 1132773277 /nfs/dbraw/zinc/77/32/77/1132773277.db2.gz RYASHMXOJCDUBA-UHFFFAOYSA-N -1 0 329.100 3.564 20 0 EHADRM Nc1cc(Cl)c(OC(F)(F)F)cc1Nc1cncc(C(=O)[O-])c1 ZINC001175842938 1132773892 /nfs/dbraw/zinc/77/38/92/1132773892.db2.gz GKLASWHDYVPMRJ-UHFFFAOYSA-N -1 0 347.680 3.658 20 0 EHADRM COc1cccc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])c1Cl ZINC001175899609 1132792473 /nfs/dbraw/zinc/79/24/73/1132792473.db2.gz XDJOEZNRWVVZMA-UHFFFAOYSA-N -1 0 348.207 3.992 20 0 EHADRM Cc1cc(S(=O)(=O)[O-])c(Nc2ccc(Cl)c(O)c2)cc1Cl ZINC001212593522 1132809388 /nfs/dbraw/zinc/80/93/88/1132809388.db2.gz VVOZLPMVGDXYIN-UHFFFAOYSA-N -1 0 348.207 3.998 20 0 EHADRM CCN(CC)C(=O)c1ccc(F)c([N-]c2nnc(C(C)(C)C)o2)c1 ZINC001176072069 1132828454 /nfs/dbraw/zinc/82/84/54/1132828454.db2.gz YXFCBCWSPKDSRF-UHFFFAOYSA-N -1 0 334.395 3.732 20 0 EHADRM O=S(=O)([O-])c1cccc(Nc2cccc(OC3CCCC3)c2)c1 ZINC001176100190 1132846689 /nfs/dbraw/zinc/84/66/89/1132846689.db2.gz NSBTXEPDQPVRAN-UHFFFAOYSA-N -1 0 333.409 3.998 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)n1 ZINC000766863643 1132879116 /nfs/dbraw/zinc/87/91/16/1132879116.db2.gz BOLKSQBZGGLNSU-UHFFFAOYSA-N -1 0 333.347 3.776 20 0 EHADRM COc1ccc(Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)cc1O ZINC001176258383 1132896643 /nfs/dbraw/zinc/89/66/43/1132896643.db2.gz JGSQEAXFRFNZER-UHFFFAOYSA-N -1 0 345.376 3.544 20 0 EHADRM O=C([O-])Cn1cc(Nc2ccccc2Sc2ccccc2)cn1 ZINC001176270910 1132899567 /nfs/dbraw/zinc/89/95/67/1132899567.db2.gz KEEOWMAXDXEWFW-UHFFFAOYSA-N -1 0 325.393 3.863 20 0 EHADRM COc1ccc2c(c1)NC(=O)C[C@@H]2CNc1cc(F)ccc1[S-] ZINC001169923038 1132904692 /nfs/dbraw/zinc/90/46/92/1132904692.db2.gz CTCAASPRLCSROY-SNVBAGLBSA-N -1 0 332.400 3.661 20 0 EHADRM O=S(=O)([N-]c1cccc(Cl)c1)c1c(Cl)ccnc1Cl ZINC000766891335 1132910409 /nfs/dbraw/zinc/91/04/09/1132910409.db2.gz FIJSTIBGFXRAGD-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM COC(=O)c1c(Cl)cc(Cl)nc1Nc1csc(C(=O)[O-])c1 ZINC001176434933 1132928267 /nfs/dbraw/zinc/92/82/67/1132928267.db2.gz FHEUDDOOFPHETA-UHFFFAOYSA-N -1 0 347.179 3.678 20 0 EHADRM COC(=O)c1cccc2nc(Nc3csc(C(=O)[O-])c3)sc21 ZINC001176436360 1132929119 /nfs/dbraw/zinc/92/91/19/1132929119.db2.gz LBPUVVVNAUMUTC-UHFFFAOYSA-N -1 0 334.378 3.586 20 0 EHADRM COCCCOc1ccc(F)cc1Nc1csc(C(=O)[O-])c1 ZINC001176439052 1132929136 /nfs/dbraw/zinc/92/91/36/1132929136.db2.gz IBLZWJZDLPBOPX-UHFFFAOYSA-N -1 0 325.361 3.744 20 0 EHADRM C/C(=C\C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1)c1cccc(F)c1 ZINC000767087903 1132947095 /nfs/dbraw/zinc/94/70/95/1132947095.db2.gz HWLBUKBXQZJURQ-XQALPWGSSA-N -1 0 325.339 3.966 20 0 EHADRM Cn1nc(-c2ccccc2)cc1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176581122 1132959492 /nfs/dbraw/zinc/95/94/92/1132959492.db2.gz IFJGXFKOPIFNCS-UHFFFAOYSA-N -1 0 333.391 3.947 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3ccnc(Br)c3)cc2)CC1 ZINC001176583231 1132959844 /nfs/dbraw/zinc/95/98/44/1132959844.db2.gz UTTJSZPHDHWCPC-UHFFFAOYSA-N -1 0 333.185 3.704 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3ncccc3N3CCCCC3)cc2)CC1 ZINC001176586741 1132961012 /nfs/dbraw/zinc/96/10/12/1132961012.db2.gz NBHNUAZEKMZXBT-UHFFFAOYSA-N -1 0 337.423 3.932 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3cnc4c(C5CCC5)cnn4c3)cc2)CC1 ZINC001176587252 1132961142 /nfs/dbraw/zinc/96/11/42/1132961142.db2.gz VZNWWPRAEVMQPL-UHFFFAOYSA-N -1 0 348.406 3.857 20 0 EHADRM COC(=O)c1cc(C)c(C)c(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1 ZINC001176587798 1132961498 /nfs/dbraw/zinc/96/14/98/1132961498.db2.gz CAVNOSFOJWUSGK-UHFFFAOYSA-N -1 0 339.391 3.950 20 0 EHADRM COC(=O)c1ccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c(Cl)c1 ZINC001176588758 1132962025 /nfs/dbraw/zinc/96/20/25/1132962025.db2.gz FEOTWYHVAUYEGQ-UHFFFAOYSA-N -1 0 345.782 3.986 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2cnc(F)c(Br)c2)cc1 ZINC001176592258 1132963300 /nfs/dbraw/zinc/96/33/00/1132963300.db2.gz XGSSOGHBYZFUNM-ZZXKWVIFSA-N -1 0 337.148 3.825 20 0 EHADRM COC(=O)c1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)cc1Cl ZINC001176593257 1132963406 /nfs/dbraw/zinc/96/34/06/1132963406.db2.gz XHGQQZHCTMKTRR-RUDMXATFSA-N -1 0 331.755 3.968 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(F)ccc2OC[C@H]2CCCO2)cc1 ZINC001176712225 1132995314 /nfs/dbraw/zinc/99/53/14/1132995314.db2.gz JAONJSKPYZINCW-OAHLLOKOSA-N -1 0 331.343 3.825 20 0 EHADRM O=C([O-])c1ccc(Nc2ccccc2C(=O)Nc2cccnc2)cc1 ZINC001176712570 1132995374 /nfs/dbraw/zinc/99/53/74/1132995374.db2.gz HYLKJBXWHKLCJU-UHFFFAOYSA-N -1 0 333.347 3.776 20 0 EHADRM O=C(CSc1ccc2c3c(cccc31)CC2)[N-]OCC(F)(F)F ZINC000768291756 1133121683 /nfs/dbraw/zinc/12/16/83/1133121683.db2.gz GQFLVFQISIGFDE-UHFFFAOYSA-N -1 0 341.354 3.641 20 0 EHADRM CN(C)c1ccc(CCC(=O)Nc2ccc3[n-]c(=S)oc3c2)cc1 ZINC000769244090 1133250730 /nfs/dbraw/zinc/25/07/30/1133250730.db2.gz MKVHKLYKRCAJCB-UHFFFAOYSA-N -1 0 341.436 3.754 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1ccc(C(F)(F)F)nc1 ZINC000769246598 1133250762 /nfs/dbraw/zinc/25/07/62/1133250762.db2.gz ZYZIEGVJYQRGQJ-UHFFFAOYSA-N -1 0 339.298 3.783 20 0 EHADRM O=C(c1c([O-])cccc1Cl)N1C[C@H]2CCCN2c2ccccc21 ZINC000769803831 1133348832 /nfs/dbraw/zinc/34/88/32/1133348832.db2.gz CPMCQYDBASZINE-GFCCVEGCSA-N -1 0 328.799 3.675 20 0 EHADRM Oc1cc(Br)cnc1CNc1ccc2ncsc2c1 ZINC001180340571 1133359390 /nfs/dbraw/zinc/35/93/90/1133359390.db2.gz XVYNWMTWZXVVEY-UHFFFAOYSA-N -1 0 336.214 3.772 20 0 EHADRM O=C(NCCCOc1ccccc1F)c1cc(F)c([O-])c(Cl)c1 ZINC000770819792 1133472146 /nfs/dbraw/zinc/47/21/46/1133472146.db2.gz OUGOTMKWRWKFPR-UHFFFAOYSA-N -1 0 341.741 3.523 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1c(Cl)nc2ccccn21 ZINC000771509270 1133568028 /nfs/dbraw/zinc/56/80/28/1133568028.db2.gz GWGBEEAGYNHFNP-UHFFFAOYSA-N -1 0 340.141 3.738 20 0 EHADRM Cc1cc(=O)c(COC(=O)c2ccc(-c3ccccc3Cl)o2)n[n-]1 ZINC000771526497 1133571245 /nfs/dbraw/zinc/57/12/45/1133571245.db2.gz PJXITQIADBODQI-UHFFFAOYSA-N -1 0 344.754 3.761 20 0 EHADRM C[C@H](Oc1ccccc1)C(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000746523371 1133633109 /nfs/dbraw/zinc/63/31/09/1133633109.db2.gz TVIZICKREWIQKQ-LBPRGKRZSA-N -1 0 339.313 3.721 20 0 EHADRM CCCC[C@@](CC)(NC(=O)Cc1ccc([S-])cc1)C(=O)OCC ZINC001183189040 1133776794 /nfs/dbraw/zinc/77/67/94/1133776794.db2.gz CPAOUGCLPJNSHQ-GOSISDBHSA-N -1 0 337.485 3.536 20 0 EHADRM O=C(Cc1ccc([S-])cc1)Nc1csc(-c2ccncc2)n1 ZINC001183186141 1133776925 /nfs/dbraw/zinc/77/69/25/1133776925.db2.gz FINRRMDWVAIUGV-UHFFFAOYSA-N -1 0 327.434 3.675 20 0 EHADRM C[C@@H]([N-]C(=O)C(F)(F)OCC(F)(F)F)c1cccc(Cl)c1F ZINC001183194293 1133777546 /nfs/dbraw/zinc/77/75/46/1133777546.db2.gz FWDZXEZCGXKFGH-ZCFIWIBFSA-N -1 0 349.658 3.828 20 0 EHADRM COCCCOc1ccc(F)cc1NC(=O)Cc1ccc([S-])cc1 ZINC001183189920 1133777790 /nfs/dbraw/zinc/77/77/90/1133777790.db2.gz XYFKIDKELDDFAE-UHFFFAOYSA-N -1 0 349.427 3.711 20 0 EHADRM O=C(NC1(Cc2ccc(F)cc2)CC1)c1cc(F)cc(Cl)c1[O-] ZINC001183461180 1133810680 /nfs/dbraw/zinc/81/06/80/1133810680.db2.gz ZJHZLQOJCCURKW-UHFFFAOYSA-N -1 0 337.753 3.829 20 0 EHADRM Cc1c(Cl)cc(NC(=O)[C@H]2C[C@]23CCCOC3)c([O-])c1Cl ZINC001183726017 1133846450 /nfs/dbraw/zinc/84/64/50/1133846450.db2.gz WQVCOURFRJARIJ-PSLIRLAXSA-N -1 0 330.211 3.763 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]C(=O)[C@H](CC)CC1CCCC1 ZINC000786653151 1133881235 /nfs/dbraw/zinc/88/12/35/1133881235.db2.gz LCAJLBHWZDBJTF-MRXNPFEDSA-N -1 0 337.485 3.660 20 0 EHADRM Cc1ccc(C(C)C)cc1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001184697586 1133977009 /nfs/dbraw/zinc/97/70/09/1133977009.db2.gz WBTHFQIYMZRULM-UHFFFAOYSA-N -1 0 347.436 3.926 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccco2)cc1)c1cccnc1Cl ZINC001184867076 1134000278 /nfs/dbraw/zinc/00/02/78/1134000278.db2.gz NJJCXFOYVJWMKF-UHFFFAOYSA-N -1 0 334.784 3.796 20 0 EHADRM O=C([N-][C@H](CC(F)(F)F)c1ccc(Br)cc1)C(F)F ZINC000787545856 1134014427 /nfs/dbraw/zinc/01/44/27/1134014427.db2.gz WDZOWTUDEOHABB-MRVPVSSYSA-N -1 0 346.093 3.824 20 0 EHADRM CC1(C)CC[C@@H](C(=O)Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)C1 ZINC001185170000 1134042788 /nfs/dbraw/zinc/04/27/88/1134042788.db2.gz XSVYUWOILXHWDQ-CYBMUJFWSA-N -1 0 347.436 3.851 20 0 EHADRM Cn1ncc2ccc([N-]S(=O)(=O)c3cc4ccccc4s3)cc21 ZINC001185421004 1134081440 /nfs/dbraw/zinc/08/14/40/1134081440.db2.gz FXGBFHYJDJMONQ-UHFFFAOYSA-N -1 0 343.433 3.589 20 0 EHADRM CC(C)(NC(=O)C=C([O-])c1ccccc1Cl)C(=O)c1ccccc1 ZINC001185433603 1134085603 /nfs/dbraw/zinc/08/56/03/1134085603.db2.gz MAUFLQJRLVPALN-UHFFFAOYSA-N -1 0 343.810 3.691 20 0 EHADRM CC(C)(C)c1coc([N-]S(=O)(=O)c2cccc3c2CCCC3)n1 ZINC000788205542 1134094658 /nfs/dbraw/zinc/09/46/58/1134094658.db2.gz OMODCTPEUZTUEX-UHFFFAOYSA-N -1 0 334.441 3.652 20 0 EHADRM O=S(=O)([N-]c1ccnc(Cl)c1)c1ccc(Cl)cc1Cl ZINC000788219839 1134096938 /nfs/dbraw/zinc/09/69/38/1134096938.db2.gz CZMZIKZIEBVXEJ-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc3c2C(=O)CCC3)ccc1Cl ZINC001185531468 1134104892 /nfs/dbraw/zinc/10/48/92/1134104892.db2.gz BXMKIDRTYDZXQJ-UHFFFAOYSA-N -1 0 349.839 3.968 20 0 EHADRM CCCCC[C@@H](NC(=O)Nc1cccc(Br)c1)C(=O)[O-] ZINC000788318059 1134112871 /nfs/dbraw/zinc/11/28/71/1134112871.db2.gz MJMNDYDLZWXYAJ-GFCCVEGCSA-N -1 0 343.221 3.604 20 0 EHADRM COc1ccc(CC2(NC(=O)c3cccc([S-])c3)CCC2)cc1 ZINC001186163397 1134172490 /nfs/dbraw/zinc/17/24/90/1134172490.db2.gz PDKOXBDGTNUCKR-UHFFFAOYSA-N -1 0 327.449 3.879 20 0 EHADRM Cc1cccc(C2CC2)c1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186193620 1134179535 /nfs/dbraw/zinc/17/95/35/1134179535.db2.gz SRNKYBCDPXPBFF-UHFFFAOYSA-N -1 0 349.383 3.511 20 0 EHADRM CC[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC001186261983 1134188938 /nfs/dbraw/zinc/18/89/38/1134188938.db2.gz QYZFVGLEQKBAKM-LBPRGKRZSA-N -1 0 341.835 3.951 20 0 EHADRM O=S(=O)([N-]c1cccc2nsnc21)c1csc2ccccc21 ZINC001186441009 1134213477 /nfs/dbraw/zinc/21/34/77/1134213477.db2.gz DERZUPHPERHKSZ-UHFFFAOYSA-N -1 0 347.446 3.707 20 0 EHADRM Cc1ccc(CO)c([N-]S(=O)(=O)c2csc3ccccc32)c1 ZINC001186508548 1134226673 /nfs/dbraw/zinc/22/66/73/1134226673.db2.gz ICFHDLCSNOGJCK-UHFFFAOYSA-N -1 0 333.434 3.503 20 0 EHADRM O=C(Nc1cc(C2CCCC2)no1)c1cc(F)c(F)c([O-])c1F ZINC001186766219 1134255128 /nfs/dbraw/zinc/25/51/28/1134255128.db2.gz FDZNSOBQGJQPAT-UHFFFAOYSA-N -1 0 326.274 3.707 20 0 EHADRM O=C(Nc1cccc2cc(O)ccc21)c1cc(F)c(F)c([O-])c1F ZINC001186780314 1134257511 /nfs/dbraw/zinc/25/75/11/1134257511.db2.gz SMFPLKGSELXSDI-UHFFFAOYSA-N -1 0 333.265 3.921 20 0 EHADRM O=S(=O)([N-]c1cc(C2CCC2)nn1-c1ccccc1)c1ccco1 ZINC001186820573 1134262424 /nfs/dbraw/zinc/26/24/24/1134262424.db2.gz RZOSYSJNISTVDI-UHFFFAOYSA-N -1 0 343.408 3.534 20 0 EHADRM O=S(=O)(N[C@H](Cc1ccccc1)C1CC1)c1sccc1Cl ZINC001186921987 1134275584 /nfs/dbraw/zinc/27/55/84/1134275584.db2.gz RKJDKSOUEJGBSD-CQSZACIVSA-N -1 0 341.885 3.701 20 0 EHADRM O=S(=O)([N-]c1cc(F)cc(F)c1)c1cc2c(s1)CCCC2 ZINC001187173590 1134310774 /nfs/dbraw/zinc/31/07/74/1134310774.db2.gz GUFNFPUESDCWRC-UHFFFAOYSA-N -1 0 329.393 3.706 20 0 EHADRM O=S(=O)([N-]c1cccc2ccncc21)c1cc2c(s1)CCCC2 ZINC001187209460 1134314826 /nfs/dbraw/zinc/31/48/26/1134314826.db2.gz NWAQZRSNAINKCA-UHFFFAOYSA-N -1 0 344.461 3.976 20 0 EHADRM Cc1oncc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1C(F)(F)F ZINC001187379579 1134329793 /nfs/dbraw/zinc/32/97/93/1134329793.db2.gz MBJAMFCRFMROLC-UHFFFAOYSA-N -1 0 348.346 3.926 20 0 EHADRM O=C([O-])c1cc(NCc2csc3ccccc23)cc2c1OCCO2 ZINC000789902426 1134348208 /nfs/dbraw/zinc/34/82/08/1134348208.db2.gz NPRKBAUGRACTTF-UHFFFAOYSA-N -1 0 341.388 3.983 20 0 EHADRM Cc1cccc(O)c1NS(=O)(=O)CCc1cccc2ccccc21 ZINC001187642311 1134360973 /nfs/dbraw/zinc/36/09/73/1134360973.db2.gz SSYLVGKHAIPWRY-UHFFFAOYSA-N -1 0 341.432 3.838 20 0 EHADRM O=C(NC[C@@H]1CCCN(c2ccccc2)C1)c1cccc(Cl)c1[O-] ZINC000790223107 1134387439 /nfs/dbraw/zinc/38/74/39/1134387439.db2.gz AVOZODMZCRQRMR-AWEZNQCLSA-N -1 0 344.842 3.692 20 0 EHADRM O=S(=O)([N-]c1nc(C2CCC2)cs1)c1cccc2ncccc21 ZINC000775159652 1134417541 /nfs/dbraw/zinc/41/75/41/1134417541.db2.gz SAMGDFNXCBNXMI-UHFFFAOYSA-N -1 0 345.449 3.760 20 0 EHADRM O=S(=O)([N-]c1cccc2ccoc21)c1cnc(Cl)c(Cl)c1 ZINC001188076495 1134424233 /nfs/dbraw/zinc/42/42/33/1134424233.db2.gz FTHARGJWNSZJGR-UHFFFAOYSA-N -1 0 343.191 3.935 20 0 EHADRM Cc1c(Cl)cc(NC(=O)c2nnsc2C2CC2)c([O-])c1Cl ZINC001188092369 1134426586 /nfs/dbraw/zinc/42/65/86/1134426586.db2.gz HFUJWADTWUNULY-UHFFFAOYSA-N -1 0 344.223 3.989 20 0 EHADRM O=C([N-]c1c(Cl)cnnc1Cl)c1ncsc1C(F)(F)F ZINC001188206153 1134441660 /nfs/dbraw/zinc/44/16/60/1134441660.db2.gz AMGPKJVMBRSGIG-UHFFFAOYSA-N -1 0 343.117 3.511 20 0 EHADRM CC[C@H](C)n1ncc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)c1C ZINC000790782745 1134464374 /nfs/dbraw/zinc/46/43/74/1134464374.db2.gz RRLJEQMBOMJMID-VIFPVBQESA-N -1 0 330.413 3.845 20 0 EHADRM Cc1nc(-c2cccc(C(=O)Nc3cc(=O)[n-]c(Cl)n3)c2)cs1 ZINC001188825842 1134513416 /nfs/dbraw/zinc/51/34/16/1134513416.db2.gz UHRHCEYDOSRXJN-UHFFFAOYSA-N -1 0 346.799 3.520 20 0 EHADRM COCc1ccc(C(=O)Nc2cc(Cl)c(C)c(Cl)c2[O-])o1 ZINC001189264929 1134564139 /nfs/dbraw/zinc/56/41/39/1134564139.db2.gz RROKYVSKRKPDLM-UHFFFAOYSA-N -1 0 330.167 3.999 20 0 EHADRM Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(F)c2ccccc21 ZINC001189385912 1134577711 /nfs/dbraw/zinc/57/77/11/1134577711.db2.gz QMJYNYPSKIATMI-UHFFFAOYSA-N -1 0 331.368 3.794 20 0 EHADRM CC(C)n1cc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)cn1 ZINC001189357629 1134580610 /nfs/dbraw/zinc/58/06/10/1134580610.db2.gz WFNOXNQKPJWUIE-UHFFFAOYSA-N -1 0 333.388 3.557 20 0 EHADRM O=S(=O)(Cc1cccc(F)c1F)Nc1csc2ncccc12 ZINC001189416966 1134584813 /nfs/dbraw/zinc/58/48/13/1134584813.db2.gz KPBVGLWWAZAVKH-UHFFFAOYSA-N -1 0 340.376 3.516 20 0 EHADRM CC(C)(C(=O)[N-]OC1CCOCC1)c1ccc(-c2ccccc2)cc1 ZINC000775249046 1134585807 /nfs/dbraw/zinc/58/58/07/1134585807.db2.gz YWFDPWRAAVOVTG-UHFFFAOYSA-N -1 0 339.435 3.858 20 0 EHADRM O=C(Nc1c(Cl)ccc([O-])c1Cl)c1cc(-c2ccccn2)[nH]n1 ZINC001189473402 1134586839 /nfs/dbraw/zinc/58/68/39/1134586839.db2.gz OLPCFLUEXNTPQH-UHFFFAOYSA-N -1 0 349.177 3.736 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NS(=O)(=O)c1cc([O-])cc(F)c1)CC2 ZINC001189508476 1134593619 /nfs/dbraw/zinc/59/36/19/1134593619.db2.gz RYADUMDHAVGFNI-GOSISDBHSA-N -1 0 349.427 3.621 20 0 EHADRM CCCCCC(C)(C)C(=O)[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000775291384 1134615280 /nfs/dbraw/zinc/61/52/80/1134615280.db2.gz SIOQELOLZYBAAT-UHFFFAOYSA-N -1 0 331.503 3.776 20 0 EHADRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000775294928 1134616542 /nfs/dbraw/zinc/61/65/42/1134616542.db2.gz IJFTVKWDXYJCTD-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ncc(F)cc2F)ccc1C(C)C ZINC001190181258 1134667810 /nfs/dbraw/zinc/66/78/10/1134667810.db2.gz GNXBBAKWDSGMET-UHFFFAOYSA-N -1 0 326.368 3.592 20 0 EHADRM O=S(=O)([N-]c1ccnc(C2CCC2)c1)c1cc(F)cc(F)c1F ZINC001190360380 1134687708 /nfs/dbraw/zinc/68/77/08/1134687708.db2.gz YAVZKABEONNQNL-UHFFFAOYSA-N -1 0 342.342 3.567 20 0 EHADRM CCCc1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)c1 ZINC001190396138 1134690956 /nfs/dbraw/zinc/69/09/56/1134690956.db2.gz WCDFFTLWKSEFSD-UHFFFAOYSA-N -1 0 329.343 3.857 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2nccnc2C2CC2)cc1 ZINC001190423027 1134697751 /nfs/dbraw/zinc/69/77/51/1134697751.db2.gz BRXOTEAPMTVZQP-UHFFFAOYSA-N -1 0 345.468 3.842 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2c(C)ccnc2OC)cc1 ZINC001190423600 1134698496 /nfs/dbraw/zinc/69/84/96/1134698496.db2.gz KYNGRVROQWRRIW-UHFFFAOYSA-N -1 0 348.468 3.887 20 0 EHADRM O=S(=O)([N-]c1c(Cl)cccc1-c1ccccc1)c1ncc[nH]1 ZINC001190730749 1134743865 /nfs/dbraw/zinc/74/38/65/1134743865.db2.gz ZWFPWMAIOAHZTP-UHFFFAOYSA-N -1 0 333.800 3.531 20 0 EHADRM O=C(Nc1c(Cl)ccc([O-])c1Cl)c1ccc(=O)[nH]c1Cl ZINC001190916776 1134770465 /nfs/dbraw/zinc/77/04/65/1134770465.db2.gz XIMVXZHPLZTJSC-UHFFFAOYSA-N -1 0 333.558 3.705 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cc(C)nn2C(C)C)cc1 ZINC001191225049 1134830163 /nfs/dbraw/zinc/83/01/63/1134830163.db2.gz PXWMBCSPKPPPNB-UHFFFAOYSA-N -1 0 335.473 3.916 20 0 EHADRM COC(=O)c1ccc2ccccc2c1[N-]S(=O)(=O)CC1CCCC1 ZINC001191535959 1134881161 /nfs/dbraw/zinc/88/11/61/1134881161.db2.gz SWQNWBOHUSENCR-UHFFFAOYSA-N -1 0 347.436 3.558 20 0 EHADRM Cc1cc(F)ncc1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1Cl ZINC001191728969 1134906174 /nfs/dbraw/zinc/90/61/74/1134906174.db2.gz PLNKBEMVGJSDQX-UHFFFAOYSA-N -1 0 349.214 3.945 20 0 EHADRM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2cccc(F)n2)c1Cl ZINC001191729229 1134906662 /nfs/dbraw/zinc/90/66/62/1134906662.db2.gz ZHNIILXKDXAJFX-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2cccnc2c1 ZINC001191821132 1134930989 /nfs/dbraw/zinc/93/09/89/1134930989.db2.gz KTOZNYQHQMBLGJ-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM COc1ccc2cc(S(=O)(=O)[N-]c3c(C)ccnc3C)ccc2c1 ZINC001191940759 1134944049 /nfs/dbraw/zinc/94/40/49/1134944049.db2.gz QXSWSWPMADEFJK-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM COC(=O)[C@H]1C[C@H]1c1ccc(C(=O)Nc2ccccc2[S-])cc1 ZINC001192191102 1134976648 /nfs/dbraw/zinc/97/66/48/1134976648.db2.gz SSSBFRTWUNPRTD-KBPBESRZSA-N -1 0 327.405 3.504 20 0 EHADRM CN(C(C)(C)c1ccccc1)S(=O)(=O)c1cccc(Cl)c1[O-] ZINC001192177439 1134982407 /nfs/dbraw/zinc/98/24/07/1134982407.db2.gz WBBZUZXNOXSZJQ-UHFFFAOYSA-N -1 0 339.844 3.601 20 0 EHADRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cnc(Cl)cc2C)on1 ZINC001192310029 1134997062 /nfs/dbraw/zinc/99/70/62/1134997062.db2.gz FFZOUXMWRWQRRP-SECBINFHSA-N -1 0 343.836 3.736 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cnc(Cl)cc2C)nc2ccccc12 ZINC001192311427 1134997533 /nfs/dbraw/zinc/99/75/33/1134997533.db2.gz YXSVXAZPNKSEON-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM C[C@H](O)c1ccc(C(=O)Nc2ccc3[n-]c(=S)sc3c2)cc1 ZINC001192359647 1135006173 /nfs/dbraw/zinc/00/61/73/1135006173.db2.gz BGLLUTCXSAOIPM-VIFPVBQESA-N -1 0 330.434 3.891 20 0 EHADRM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)on1 ZINC001192523167 1135026379 /nfs/dbraw/zinc/02/63/79/1135026379.db2.gz HHUXMEFHTHULPM-VIFPVBQESA-N -1 0 343.836 3.736 20 0 EHADRM CC(=O)Nc1ccc(NC(=O)c2c([O-])ccc(F)c2F)cc1Cl ZINC001192764735 1135051895 /nfs/dbraw/zinc/05/18/95/1135051895.db2.gz NROOSDUWDQVDIH-UHFFFAOYSA-N -1 0 340.713 3.535 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C(C)C)nc2)c1 ZINC001192766041 1135052606 /nfs/dbraw/zinc/05/26/06/1135052606.db2.gz QHYZJUQCPQAVBF-UHFFFAOYSA-N -1 0 334.441 3.577 20 0 EHADRM O=C(Nc1cc(OC(F)(F)F)ccc1O)c1ccc(F)c(F)c1[O-] ZINC001192811663 1135058495 /nfs/dbraw/zinc/05/84/95/1135058495.db2.gz VLVAKPZTKXCCJT-UHFFFAOYSA-N -1 0 349.211 3.527 20 0 EHADRM O=C(NCCc1ccccc1C(F)(F)F)c1cc(F)c([O-])cc1F ZINC001192877931 1135063099 /nfs/dbraw/zinc/06/30/99/1135063099.db2.gz YHGMUKDGMMTHRP-UHFFFAOYSA-N -1 0 345.267 3.662 20 0 EHADRM O=C(N[C@H](c1ccccc1)c1ccncc1)c1ccc([O-])c(F)c1F ZINC001192840879 1135063561 /nfs/dbraw/zinc/06/35/61/1135063561.db2.gz CXCICLLLCPXROW-GOSISDBHSA-N -1 0 340.329 3.585 20 0 EHADRM O=C(Nc1ccc2ncnc(Cl)c2c1)c1ccc([O-])c(F)c1F ZINC001192841126 1135064244 /nfs/dbraw/zinc/06/42/44/1135064244.db2.gz IXQBRMBIMOGPEM-UHFFFAOYSA-N -1 0 335.697 3.519 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(Cl)nc(Cl)c2[O-])Cc2ccccc21 ZINC001193081876 1135097080 /nfs/dbraw/zinc/09/70/80/1135097080.db2.gz DQBNUMBFGKBVHL-VIFPVBQESA-N -1 0 337.206 3.854 20 0 EHADRM Cc1nc2c(cccc2NC(=O)c2cc(Cl)nc(Cl)c2[O-])o1 ZINC001193089512 1135098615 /nfs/dbraw/zinc/09/86/15/1135098615.db2.gz KZWVEUMONGQXCW-UHFFFAOYSA-N -1 0 338.150 3.796 20 0 EHADRM O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)c1cc(Cl)nc(Cl)c1[O-] ZINC001193101244 1135101453 /nfs/dbraw/zinc/10/14/53/1135101453.db2.gz UFJAIUPTUZYNMI-GXSJLCMTSA-N -1 0 341.169 3.519 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)C[C@@H]2CCCO2)c1Oc1ccccc1 ZINC001193254552 1135118030 /nfs/dbraw/zinc/11/80/30/1135118030.db2.gz ZCAZXNHQMHPXSN-INIZCTEOSA-N -1 0 347.436 3.708 20 0 EHADRM C[C@@H](NC(=O)c1ccc(F)c([O-])c1F)c1cccc(Cl)c1F ZINC001193789714 1135180938 /nfs/dbraw/zinc/18/09/38/1135180938.db2.gz XGJKHPZULBKSAK-SSDOTTSWSA-N -1 0 329.705 3.954 20 0 EHADRM Cc1cc(F)nc([N-]S(=O)(=O)c2ccc(C)c3ccccc32)c1 ZINC001193841735 1135185302 /nfs/dbraw/zinc/18/53/02/1135185302.db2.gz AERZZJHLASOXOW-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM CCc1cccc([N-]S(=O)(=O)c2ccc(C)c3ccccc32)n1 ZINC001193833419 1135190827 /nfs/dbraw/zinc/19/08/27/1135190827.db2.gz CEOITDNWGIACEM-UHFFFAOYSA-N -1 0 326.421 3.906 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2ccc3ncncc3c2)c2ccccc12 ZINC001193862181 1135197720 /nfs/dbraw/zinc/19/77/20/1135197720.db2.gz BSYLNKHJGWKOAJ-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM Cc1ncnc(C)c1[N-]S(=O)(=O)c1ccc2c(Cl)cccc2c1 ZINC001194217702 1135245864 /nfs/dbraw/zinc/24/58/64/1135245864.db2.gz SOHGYQUUYIXBLT-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM O=S(=O)([N-]c1ccc2occc2c1)c1ccc(C(F)(F)F)cn1 ZINC001194303853 1135254339 /nfs/dbraw/zinc/25/43/39/1135254339.db2.gz LGINJDVUZNQBCA-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cccc(Br)n1 ZINC000805261808 1135254582 /nfs/dbraw/zinc/25/45/82/1135254582.db2.gz OAPPAIPRDMIFEK-UHFFFAOYSA-N -1 0 345.555 3.595 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1ccc2c(c1)OCCCO2 ZINC000805261548 1135254887 /nfs/dbraw/zinc/25/48/87/1135254887.db2.gz FEOUWBJCQATVOS-UHFFFAOYSA-N -1 0 337.734 3.598 20 0 EHADRM CCn1nccc1[N-]S(=O)(=O)c1cccc2c(Cl)cccc21 ZINC001194404377 1135265096 /nfs/dbraw/zinc/26/50/96/1135265096.db2.gz QTRKVNRCAROQBO-UHFFFAOYSA-N -1 0 335.816 3.510 20 0 EHADRM CSc1ccc(OCCOC(=O)c2c(F)cc([O-])cc2F)cc1 ZINC000805456301 1135274612 /nfs/dbraw/zinc/27/46/12/1135274612.db2.gz LQTODOYQFIBJIE-UHFFFAOYSA-N -1 0 340.347 3.628 20 0 EHADRM CCc1ccc(-c2nc(CC(=O)[N-]OC3CCCC3)cs2)cc1 ZINC000775604972 1135282802 /nfs/dbraw/zinc/28/28/02/1135282802.db2.gz SWMRFJGAPVZDOF-UHFFFAOYSA-N -1 0 330.453 3.905 20 0 EHADRM O=S(=O)([N-]c1ccc2occc2c1)c1ncccc1C(F)(F)F ZINC001194569337 1135287221 /nfs/dbraw/zinc/28/72/21/1135287221.db2.gz KFPKJZZIPWNRFE-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM CC(C)(C)CC(C)(C)NS(=O)(=O)c1ncccc1C(F)(F)F ZINC001194586889 1135289052 /nfs/dbraw/zinc/28/90/52/1135289052.db2.gz SYCVTFLKGMPYFU-UHFFFAOYSA-N -1 0 338.395 3.594 20 0 EHADRM CC(C)CCOC(=O)Nc1ccc2c(cccc2S(=O)(=O)[O-])c1 ZINC001194874676 1135334152 /nfs/dbraw/zinc/33/41/52/1135334152.db2.gz JSRNXQZZSIHCGL-UHFFFAOYSA-N -1 0 337.397 3.681 20 0 EHADRM CC(C)(C)CCCCC(=O)[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000805876879 1135343711 /nfs/dbraw/zinc/34/37/11/1135343711.db2.gz RXLCOEVHPZUKGM-UHFFFAOYSA-N -1 0 348.468 3.646 20 0 EHADRM Cc1nc2ccccn2c1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC001195115928 1135371596 /nfs/dbraw/zinc/37/15/96/1135371596.db2.gz IDGTWZPVUBJWJJ-UHFFFAOYSA-N -1 0 329.425 3.567 20 0 EHADRM COc1ncc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1Cl ZINC001195120372 1135372534 /nfs/dbraw/zinc/37/25/34/1135372534.db2.gz MJEMSMGCEIPJFS-UHFFFAOYSA-N -1 0 340.832 3.668 20 0 EHADRM Cc1nc2c([N-]S(=O)(=O)c3c(C)cccc3Cl)cccn2c1C ZINC001195284951 1135406923 /nfs/dbraw/zinc/40/69/23/1135406923.db2.gz RAQSBHAUZOREAX-UHFFFAOYSA-N -1 0 349.843 3.714 20 0 EHADRM Cc1ccc(CN(C)C(=O)c2c([O-])c(F)c(F)c(F)c2F)cc1C ZINC001195294671 1135407984 /nfs/dbraw/zinc/40/79/84/1135407984.db2.gz FTSFGGJPAUAAEB-UHFFFAOYSA-N -1 0 341.304 3.838 20 0 EHADRM Cc1nc2c(cccc2NC(=O)c2c([O-])c(F)c(F)c(F)c2F)o1 ZINC001195295454 1135408132 /nfs/dbraw/zinc/40/81/32/1135408132.db2.gz KUKDHHGQCXXVIZ-UHFFFAOYSA-N -1 0 340.232 3.651 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cccc2c1C(=O)CCC2 ZINC001195316530 1135412838 /nfs/dbraw/zinc/41/28/38/1135412838.db2.gz FKIPQZPLCYGMDO-UHFFFAOYSA-N -1 0 349.839 3.968 20 0 EHADRM CCOC(=O)NC(=S)Nc1c(F)cccc1OCC(C)(C)C ZINC001195492610 1135433215 /nfs/dbraw/zinc/43/32/15/1135433215.db2.gz MEOHRZAITDQLEL-UHFFFAOYSA-N -1 0 328.409 3.694 20 0 EHADRM CCc1cc(Br)ccc1NC(=O)NO[C@H]1CCCCO1 ZINC000775674955 1135486851 /nfs/dbraw/zinc/48/68/51/1135486851.db2.gz KURNTRUYDAFSBX-ZDUSSCGKSA-N -1 0 343.221 3.591 20 0 EHADRM CCC(CC)NS(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001196066138 1135509629 /nfs/dbraw/zinc/50/96/29/1135509629.db2.gz JPSNVFSVUUAYMK-UHFFFAOYSA-N -1 0 347.436 3.519 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cccnc3)c2)c(F)c1 ZINC001196380470 1135553030 /nfs/dbraw/zinc/55/30/30/1135553030.db2.gz RSEXXRRWGFJXFI-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2O)c(F)c1 ZINC001196386702 1135554038 /nfs/dbraw/zinc/55/40/38/1135554038.db2.gz GCANBTQMVTWHSD-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM CCc1cc(NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)ccc1F ZINC000807671291 1135560661 /nfs/dbraw/zinc/56/06/61/1135560661.db2.gz PMRUJCOXCZDWQZ-UHFFFAOYSA-N -1 0 343.383 3.578 20 0 EHADRM O=C(NCc1cc(C(F)(F)F)ccn1)c1cc(Cl)c(F)cc1[O-] ZINC001196477828 1135566032 /nfs/dbraw/zinc/56/60/32/1135566032.db2.gz IBPNTLGEXNHQKM-UHFFFAOYSA-N -1 0 348.683 3.529 20 0 EHADRM O=C(c1cc(Cl)c(F)cc1[O-])N1CC[C@@](CF)(C(F)(F)F)C1 ZINC001196458368 1135569957 /nfs/dbraw/zinc/56/99/57/1135569957.db2.gz IGXWKCSUZHFHKF-LBPRGKRZSA-N -1 0 343.679 3.549 20 0 EHADRM Cc1ccc(Br)cc1CNC(=O)c1cccc(F)c1[O-] ZINC001131089797 1135588656 /nfs/dbraw/zinc/58/86/56/1135588656.db2.gz AERNVHILUCKSEM-UHFFFAOYSA-N -1 0 338.176 3.532 20 0 EHADRM COc1ccc(F)c(S(=O)(=O)[N-]c2ccc3oc(C)cc3c2)c1 ZINC001196763176 1135603674 /nfs/dbraw/zinc/60/36/74/1135603674.db2.gz PQPBETAITGWLSV-UHFFFAOYSA-N -1 0 335.356 3.690 20 0 EHADRM COc1ccc(F)c(S(=O)(=O)[N-]c2ccc(F)cc2C(C)C)c1 ZINC001196762881 1135603690 /nfs/dbraw/zinc/60/36/90/1135603690.db2.gz IBJKVASPCLZPNW-UHFFFAOYSA-N -1 0 341.379 3.898 20 0 EHADRM COc1ccc(F)c(S(=O)(=O)[N-]c2cc(Cl)ccc2C)c1 ZINC001196756753 1135608673 /nfs/dbraw/zinc/60/86/73/1135608673.db2.gz AOWSTMAKOUICIQ-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM COc1cc([C@H](C)NC(=S)Nc2ccc(C(=O)[O-])cc2)ccc1F ZINC001197137933 1135648697 /nfs/dbraw/zinc/64/86/97/1135648697.db2.gz ZJWFLHCHHRPFNT-JTQLQIEISA-N -1 0 348.399 3.580 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NC2(Cc3ccccc3F)CC2)cc1 ZINC001197139442 1135649657 /nfs/dbraw/zinc/64/96/57/1135649657.db2.gz GEJLWKXKQAYALF-UHFFFAOYSA-N -1 0 344.411 3.586 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2ccccc2-n2cccc2)cc1 ZINC001197112676 1135650864 /nfs/dbraw/zinc/65/08/64/1135650864.db2.gz GOQCOUFBQXOQHM-UHFFFAOYSA-N -1 0 337.404 3.984 20 0 EHADRM CCC(=O)Nc1cccc(NC(=S)Nc2ccc(C(=O)[O-])cc2)c1 ZINC001197113893 1135651413 /nfs/dbraw/zinc/65/14/13/1135651413.db2.gz YTTZMNMBTQLOAZ-UHFFFAOYSA-N -1 0 343.408 3.542 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NCc2ccc(Cl)c(F)c2)cc1 ZINC001197121987 1135652183 /nfs/dbraw/zinc/65/21/83/1135652183.db2.gz UOMYPSVTQYICFD-UHFFFAOYSA-N -1 0 338.791 3.664 20 0 EHADRM O=S(=O)(/C=C\c1cccc(Cl)c1)[N-][C@@H](C1CC1)C(F)(F)F ZINC000808328268 1135653004 /nfs/dbraw/zinc/65/30/04/1135653004.db2.gz NANHELRENANPLG-DGMVEKRQSA-N -1 0 339.766 3.571 20 0 EHADRM O=S(=O)(/C=C\c1ccccc1Cl)[N-][C@H](C1CC1)C(F)(F)F ZINC000808328501 1135653359 /nfs/dbraw/zinc/65/33/59/1135653359.db2.gz QMJICAIXVMKZNM-QDZRJHCZSA-N -1 0 339.766 3.571 20 0 EHADRM O=C(C[C@H]1CCCN1C(=O)c1cccc(Cl)c1[O-])c1ccccc1 ZINC000775770834 1135685284 /nfs/dbraw/zinc/68/52/84/1135685284.db2.gz SCWWCXDMEWTAFD-CQSZACIVSA-N -1 0 343.810 3.923 20 0 EHADRM C=CC(=O)Nc1cc(NC(=O)c2cccc(Cl)c2[O-])ccc1F ZINC000775773373 1135687622 /nfs/dbraw/zinc/68/76/22/1135687622.db2.gz XBUYXCDQIZSQGY-UHFFFAOYSA-N -1 0 334.734 3.562 20 0 EHADRM O=S(=O)(Cc1c(F)cccc1F)[N-]c1cc2ccccc2cc1O ZINC001197600926 1135713251 /nfs/dbraw/zinc/71/32/51/1135713251.db2.gz UUDBBNOEZXKLHC-UHFFFAOYSA-N -1 0 349.358 3.766 20 0 EHADRM Cc1noc([N-]S(=O)(=O)Cc2cccc(Cl)c2Cl)c1C ZINC001197715518 1135729159 /nfs/dbraw/zinc/72/91/59/1135729159.db2.gz CZVXNFDTGBFMHP-UHFFFAOYSA-N -1 0 335.212 3.540 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2cc(C3CCCCC3)ccc2O)c1 ZINC001198009767 1135761717 /nfs/dbraw/zinc/76/17/17/1135761717.db2.gz VMSVLFZSBLAELT-UHFFFAOYSA-N -1 0 346.452 3.944 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)CC2(C)CCCC2)c(Cl)cc1F ZINC000808992584 1135766056 /nfs/dbraw/zinc/76/60/56/1135766056.db2.gz BKKQTKXSNWJGFN-UHFFFAOYSA-N -1 0 347.839 3.563 20 0 EHADRM CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1cccc(Cl)c1[O-] ZINC000775815284 1135766246 /nfs/dbraw/zinc/76/62/46/1135766246.db2.gz IPPKPGHGPUVXPD-QFYYESIMSA-N -1 0 337.778 3.691 20 0 EHADRM CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1cccc(Cl)c1[O-] ZINC000775815285 1135766480 /nfs/dbraw/zinc/76/64/80/1135766480.db2.gz IPPKPGHGPUVXPD-QLJPJBMISA-N -1 0 337.778 3.691 20 0 EHADRM COC(=O)c1sc(C)cc1Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203316440 1135828069 /nfs/dbraw/zinc/82/80/69/1135828069.db2.gz NOSUAEYOSIYLJD-UHFFFAOYSA-N -1 0 327.308 3.563 20 0 EHADRM O=C([O-])c1c(F)cc(Nc2cnn(Cc3ccccc3)c2)cc1F ZINC001203316448 1135834726 /nfs/dbraw/zinc/83/47/26/1135834726.db2.gz NPMNBYUGAKFSLS-UHFFFAOYSA-N -1 0 329.306 3.651 20 0 EHADRM CC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198858872 1135861813 /nfs/dbraw/zinc/86/18/13/1135861813.db2.gz JZKJFQHZAKHWTI-UHFFFAOYSA-N -1 0 333.340 3.575 20 0 EHADRM O=C(Nc1ccccc1[S-])c1ccnc(OCC(F)(F)F)c1 ZINC001199011261 1135874381 /nfs/dbraw/zinc/87/43/81/1135874381.db2.gz NFFATDNVDXHWGD-UHFFFAOYSA-N -1 0 328.315 3.564 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cccc2ccc(=O)[nH]c21 ZINC000809721866 1135878986 /nfs/dbraw/zinc/87/89/86/1135878986.db2.gz DEMDSXACWMTQNM-UHFFFAOYSA-N -1 0 337.360 3.623 20 0 EHADRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1csc2ncccc12 ZINC001201731610 1136061686 /nfs/dbraw/zinc/06/16/86/1136061686.db2.gz JVWLGXYMMQSWKF-UHFFFAOYSA-N -1 0 345.858 3.515 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2cccc(F)c2Br)c1 ZINC001201772041 1136061767 /nfs/dbraw/zinc/06/17/67/1136061767.db2.gz GRPFWLHMLWCSLO-UHFFFAOYSA-N -1 0 344.205 3.697 20 0 EHADRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1cnccc1C1CCC1 ZINC001201735988 1136063022 /nfs/dbraw/zinc/06/30/22/1136063022.db2.gz MEMJTSZCOJQPCO-UHFFFAOYSA-N -1 0 343.861 3.568 20 0 EHADRM COc1cccc(O)c1[N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC001201797557 1136063996 /nfs/dbraw/zinc/06/39/96/1136063996.db2.gz DRCUPVUDMVBWPX-UHFFFAOYSA-N -1 0 349.452 3.744 20 0 EHADRM CN(C(=O)c1cc(C(=O)[O-])ccc1Cl)[C@@H]1CCc2ccccc21 ZINC000811814822 1136144490 /nfs/dbraw/zinc/14/44/90/1136144490.db2.gz VLIFEAXXYGPTNL-MRXNPFEDSA-N -1 0 329.783 3.798 20 0 EHADRM C[C@H](NC(=O)c1cc(C(=O)[O-])ccc1Cl)[C@@H](C)c1ccccc1 ZINC000811820303 1136145341 /nfs/dbraw/zinc/14/53/41/1136145341.db2.gz VCTMGHMFXGSBLZ-NEPJUHHUSA-N -1 0 331.799 3.960 20 0 EHADRM C[C@H]1Cc2ccccc2[C@H]1NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811820166 1136145438 /nfs/dbraw/zinc/14/54/38/1136145438.db2.gz PYESNYWQWWXXTP-QFYYESIMSA-N -1 0 329.783 3.702 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N2CC3(CC3)c3ccccc32)c1 ZINC000811822009 1136146008 /nfs/dbraw/zinc/14/60/08/1136146008.db2.gz YHDQSHPAVTUIHL-UHFFFAOYSA-N -1 0 327.767 3.730 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)Nc2cnc3c(c2)CCCC3)c1 ZINC000811823226 1136146093 /nfs/dbraw/zinc/14/60/93/1136146093.db2.gz PDPSHOCKLMDYEP-UHFFFAOYSA-N -1 0 330.771 3.564 20 0 EHADRM CCOC(=O)/C(=C/c1ccc(C(=O)[O-])cc1Cl)c1ccnc(F)c1 ZINC000812247525 1136189284 /nfs/dbraw/zinc/18/92/84/1136189284.db2.gz OYEWWXGTKUXXCD-NTUHNPAUSA-N -1 0 349.745 3.676 20 0 EHADRM CCOC(=O)/C(=C\c1cc(C(=O)[O-])c(C)cc1C)c1ccnc(F)c1 ZINC000812246988 1136189486 /nfs/dbraw/zinc/18/94/86/1136189486.db2.gz CCBYGKYXFPGSBZ-SXGWCWSVSA-N -1 0 343.354 3.639 20 0 EHADRM O=C(COc1cc(Cl)c(Cl)cc1Cl)[N-]OC/C=C/Cl ZINC000812401226 1136201651 /nfs/dbraw/zinc/20/16/51/1136201651.db2.gz XGMHENQCQOAVQZ-OWOJBTEDSA-N -1 0 345.009 3.826 20 0 EHADRM CC(C)OCCO[N-]C(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000812801316 1136253513 /nfs/dbraw/zinc/25/35/13/1136253513.db2.gz HOYZZTDBYAUIPH-SFHVURJKSA-N -1 0 345.464 3.993 20 0 EHADRM O=C(CCC1CC1)O[C@H]1C[C@H]([N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000851176351 1136346748 /nfs/dbraw/zinc/34/67/48/1136346748.db2.gz OVNPWHKACOHFGV-KBPBESRZSA-N -1 0 341.329 3.584 20 0 EHADRM C[C@@H](COCC1CCCCC1)NC(=O)c1cccc(Cl)c1[O-] ZINC001133902341 1136360115 /nfs/dbraw/zinc/36/01/15/1136360115.db2.gz BLXXXZJIJPNPPK-LBPRGKRZSA-N -1 0 325.836 3.761 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CC1CCCCCC1 ZINC000814016415 1136386544 /nfs/dbraw/zinc/38/65/44/1136386544.db2.gz MICSTHUWTLPQML-QGZVFWFLSA-N -1 0 337.485 3.944 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C(C1CCC1)C1CCC1 ZINC000814021673 1136387043 /nfs/dbraw/zinc/38/70/43/1136387043.db2.gz PLZFRYDVMZZOOG-QGZVFWFLSA-N -1 0 349.496 3.800 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)c1ccc(/C=C\C(=O)[O-])o1)C1CC1 ZINC000851593649 1136394913 /nfs/dbraw/zinc/39/49/13/1136394913.db2.gz BRIKWQVFNQASKE-FYGXRCCRSA-N -1 0 325.364 3.567 20 0 EHADRM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851595789 1136395239 /nfs/dbraw/zinc/39/52/39/1136395239.db2.gz KSKACAVTYLQXCQ-DZZUKKPASA-N -1 0 345.370 3.514 20 0 EHADRM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000851598005 1136395327 /nfs/dbraw/zinc/39/53/27/1136395327.db2.gz IDLJWONXKVRBKD-BZYXRLQRSA-N -1 0 331.412 3.708 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000851624435 1136396548 /nfs/dbraw/zinc/39/65/48/1136396548.db2.gz DGJJWUJUKXOHNB-CZUORRHYSA-N -1 0 344.238 3.686 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N[C@@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000851625039 1136396873 /nfs/dbraw/zinc/39/68/73/1136396873.db2.gz QSVWVKGNCKIFOV-RDTXWAMCSA-N -1 0 347.436 3.669 20 0 EHADRM C[C@H](Nc1cc(Br)cc(C(=O)[O-])c1)c1cccc(N)c1 ZINC001170735314 1136427122 /nfs/dbraw/zinc/42/71/22/1136427122.db2.gz QLCKQOLCMYCFIR-VIFPVBQESA-N -1 0 335.201 3.903 20 0 EHADRM CCCc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2F)cc1 ZINC000776658971 1136527595 /nfs/dbraw/zinc/52/75/95/1136527595.db2.gz MCSQJYKVQHWSNU-KRWDZBQOSA-N -1 0 347.361 3.863 20 0 EHADRM C[C@H](CC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1F)c1ccccc1 ZINC000776659569 1136529775 /nfs/dbraw/zinc/52/97/75/1136529775.db2.gz GKDWRYYZUHNMOO-SJKOYZFVSA-N -1 0 347.361 3.791 20 0 EHADRM CCCN(C)C(=O)N(C)[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000776716304 1136594835 /nfs/dbraw/zinc/59/48/35/1136594835.db2.gz FBAFVIYGOLKRML-GFCCVEGCSA-N -1 0 333.215 3.513 20 0 EHADRM O=C(C[C@H]1C=CCC1)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000112159057 1136608605 /nfs/dbraw/zinc/60/86/05/1136608605.db2.gz GKRNLGPWVPJCJF-HNNXBMFYSA-N -1 0 341.432 3.515 20 0 EHADRM CCCCC[C@](C)(CC)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000781441689 1136608900 /nfs/dbraw/zinc/60/89/00/1136608900.db2.gz FREOCWKCOHDMGT-INIZCTEOSA-N -1 0 329.437 3.627 20 0 EHADRM CSCC1CCC(NC(=O)c2ccc3oc(=S)[n-]c3c2)CC1 ZINC000854746635 1136640881 /nfs/dbraw/zinc/64/08/81/1136640881.db2.gz BHINTKKCHJQLFX-UHFFFAOYSA-N -1 0 336.482 3.768 20 0 EHADRM CC(C)[C@H](CO)O[N-]C(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000854828556 1136646133 /nfs/dbraw/zinc/64/61/33/1136646133.db2.gz ZLJQCEXYAYZSSS-ROUUACIJSA-N -1 0 347.842 3.537 20 0 EHADRM C[C@@]1(CCNC(=O)c2ccc3oc(=S)[n-]c3c2)C[C@@]1(F)Cl ZINC000855019290 1136661219 /nfs/dbraw/zinc/66/12/19/1136661219.db2.gz XJLOLODKNRRNHI-KGLIPLIRSA-N -1 0 328.796 3.551 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C(C)(C)C(C)(C)C ZINC000816096325 1136672524 /nfs/dbraw/zinc/67/25/24/1136672524.db2.gz YROPXAOBIGIXAF-CQSZACIVSA-N -1 0 325.474 3.656 20 0 EHADRM Cc1ccc(C(=O)[N-]S(=O)(=O)[C@H](c2ccccc2)C(C)C)s1 ZINC000816112839 1136677676 /nfs/dbraw/zinc/67/76/76/1136677676.db2.gz DJSYDUNSVCRWTC-HNNXBMFYSA-N -1 0 337.466 3.513 20 0 EHADRM O=C(c1n[n-]c2ccccc2c1=O)N1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000855489028 1136700575 /nfs/dbraw/zinc/70/05/75/1136700575.db2.gz LFIUZAKVTQBSJG-SFHVURJKSA-N -1 0 349.390 3.686 20 0 EHADRM O=C(Nc1cccc(-c2cc[nH]n2)c1)c1ccc2oc(=S)[n-]c2c1 ZINC000816859859 1136759646 /nfs/dbraw/zinc/75/96/46/1136759646.db2.gz OAVOVHNZIKGDLK-UHFFFAOYSA-N -1 0 336.376 3.759 20 0 EHADRM CCS[C@@H]1CCCCN(C(=O)c2ccc3oc(=S)[n-]c3c2)C1 ZINC000816923338 1136763801 /nfs/dbraw/zinc/76/38/01/1136763801.db2.gz FLLALIVFIVBXLE-GFCCVEGCSA-N -1 0 336.482 3.864 20 0 EHADRM CON(C(=O)c1ncccc1[O-])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000856342394 1136778760 /nfs/dbraw/zinc/77/87/60/1136778760.db2.gz UWUUEGKHBGGFGW-JTQLQIEISA-N -1 0 340.301 3.571 20 0 EHADRM CCOc1ccc(-c2nc(CC(=O)[N-]OCC3CCC3)cs2)cc1 ZINC000856346379 1136779045 /nfs/dbraw/zinc/77/90/45/1136779045.db2.gz XVAWNKJFGANFJU-UHFFFAOYSA-N -1 0 346.452 3.599 20 0 EHADRM O=C([N-]OCCC1CC1)C1(c2ccc(Br)cc2)CCC1 ZINC000817393382 1136803963 /nfs/dbraw/zinc/80/39/63/1136803963.db2.gz PJESFWVYZBIFRW-UHFFFAOYSA-N -1 0 338.245 3.719 20 0 EHADRM CN(C(=O)c1cccc(Cl)c1[O-])[C@H](c1ncc[nH]1)c1ccccc1 ZINC000817488487 1136813280 /nfs/dbraw/zinc/81/32/80/1136813280.db2.gz MFSOSNJSXDTQDQ-HNNXBMFYSA-N -1 0 341.798 3.630 20 0 EHADRM C/C(=C/C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1)c1cccs1 ZINC000856925306 1136824437 /nfs/dbraw/zinc/82/44/37/1136824437.db2.gz QKPQAGCZOJSTSK-HECSCLNYSA-N -1 0 343.448 3.744 20 0 EHADRM C/C(=C\C(=O)N1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1)c1cccs1 ZINC000856979788 1136829753 /nfs/dbraw/zinc/82/97/53/1136829753.db2.gz DTQCKCQZGLXFLM-YYZTVXDQSA-N -1 0 341.432 3.968 20 0 EHADRM CC1(C)[C@H](c2ccccc2)CCN1C(=O)c1n[n-]c2ccccc2c1=O ZINC000817701988 1136831386 /nfs/dbraw/zinc/83/13/86/1136831386.db2.gz GSZOLEAVWVKRQO-INIZCTEOSA-N -1 0 347.418 3.744 20 0 EHADRM CC(C)OCCO[N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC000857510156 1136878790 /nfs/dbraw/zinc/87/87/90/1136878790.db2.gz FZJCMMLNYWPFRD-UHFFFAOYSA-N -1 0 342.169 3.558 20 0 EHADRM O=C(Nc1nc(CC(F)(F)F)cs1)c1cccc(Cl)c1[O-] ZINC000819300774 1136928546 /nfs/dbraw/zinc/92/85/46/1136928546.db2.gz JDKPFJNZMNZIEJ-UHFFFAOYSA-N -1 0 336.722 3.859 20 0 EHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000820319783 1136989187 /nfs/dbraw/zinc/98/91/87/1136989187.db2.gz NUFSEFKZTFMIOQ-SECBINFHSA-N -1 0 330.331 3.531 20 0 EHADRM CCCCC[C@H](NC(=O)Nc1ccc(OC)c(Cl)c1)C(=O)[O-] ZINC000797735236 1137006470 /nfs/dbraw/zinc/00/64/70/1137006470.db2.gz YTTOKQOTKAWWJG-LBPRGKRZSA-N -1 0 328.796 3.504 20 0 EHADRM COc1cccc(CN(CC(C)C)C(=O)c2cc(F)cc(F)c2[O-])c1 ZINC001136433043 1137021918 /nfs/dbraw/zinc/02/19/18/1137021918.db2.gz QRDJHFSPIWCVOC-UHFFFAOYSA-N -1 0 349.377 3.977 20 0 EHADRM C=C/C=C/CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC001136434087 1137022315 /nfs/dbraw/zinc/02/23/15/1137022315.db2.gz KUDQUMHPHKKARQ-HWKANZROSA-N -1 0 342.420 3.558 20 0 EHADRM COc1cccc([C@H]2C[C@H](N(C)C(=O)c3cccc(F)c3[O-])C2)c1 ZINC000822065482 1137048447 /nfs/dbraw/zinc/04/84/47/1137048447.db2.gz YEDMPPGIPCVHBK-HDJSIYSDSA-N -1 0 329.371 3.558 20 0 EHADRM COC[C@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000822124175 1137050061 /nfs/dbraw/zinc/05/00/61/1137050061.db2.gz FHGDYTWAERYHOM-JTQLQIEISA-N -1 0 332.227 3.588 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)N3CCC[C@@H](C4CC4)C3)c([O-])c2)o1 ZINC000822978011 1137079780 /nfs/dbraw/zinc/07/97/80/1137079780.db2.gz CJYRASUCKNDASG-OAHLLOKOSA-N -1 0 339.391 3.727 20 0 EHADRM CCCc1cc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)sc1C ZINC000013448062 1137085574 /nfs/dbraw/zinc/08/55/74/1137085574.db2.gz NWZSUMJMQOBJMF-UHFFFAOYSA-N -1 0 329.421 3.910 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1cccc(Cl)c1Cl ZINC000013448754 1137085740 /nfs/dbraw/zinc/08/57/40/1137085740.db2.gz NPFRRJDWCAFKBT-UHFFFAOYSA-N -1 0 336.174 3.895 20 0 EHADRM CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000823589886 1137105290 /nfs/dbraw/zinc/10/52/90/1137105290.db2.gz OPOPRRGFRNWXDS-RYUDHWBXSA-N -1 0 331.416 3.511 20 0 EHADRM CC[C@@H]1CCCN(C(=O)c2cc(Br)cc(F)c2[O-])CC1 ZINC001136756891 1137108132 /nfs/dbraw/zinc/10/81/32/1137108132.db2.gz VIBOCYVNPXXOOU-SNVBAGLBSA-N -1 0 344.224 3.946 20 0 EHADRM C[C@H]1CCCC[C@@H]1CCNC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC001136790674 1137118181 /nfs/dbraw/zinc/11/81/81/1137118181.db2.gz BWCGEIMTKQAQNS-LSDHHAIUSA-N -1 0 327.428 3.524 20 0 EHADRM C[C@@H]1CCCC[C@H]1CCNC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC001136790671 1137118295 /nfs/dbraw/zinc/11/82/95/1137118295.db2.gz BWCGEIMTKQAQNS-CABCVRRESA-N -1 0 327.428 3.524 20 0 EHADRM CC(C)(C)CCCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000805844859 1137119283 /nfs/dbraw/zinc/11/92/83/1137119283.db2.gz NHYQCNCKFKRKEO-UHFFFAOYSA-N -1 0 337.485 3.587 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCC(c2ccc(F)cn2)CC1 ZINC000824766059 1137150784 /nfs/dbraw/zinc/15/07/84/1137150784.db2.gz BFKGAGURULSWDG-UHFFFAOYSA-N -1 0 334.778 3.600 20 0 EHADRM CC(C)c1cc(Cl)ccc1[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000863424108 1137185742 /nfs/dbraw/zinc/18/57/42/1137185742.db2.gz AIQQMHVNILBVAW-UHFFFAOYSA-N -1 0 348.255 3.651 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)Cc1ccc2c(c1)CCCO2 ZINC000844155357 1137200149 /nfs/dbraw/zinc/20/01/49/1137200149.db2.gz OTDWLZGRFVSTDV-UHFFFAOYSA-N -1 0 339.391 3.508 20 0 EHADRM Cc1c(C(=O)[O-])sc2ncnc(NC[C@]3(C)CC3(Cl)Cl)c12 ZINC000844215867 1137204706 /nfs/dbraw/zinc/20/47/06/1137204706.db2.gz JYZISXCXBLJTJW-LBPRGKRZSA-N -1 0 346.239 3.694 20 0 EHADRM CC[C@H](C)N(Cc1ccccc1)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000864100920 1137215013 /nfs/dbraw/zinc/21/50/13/1137215013.db2.gz ADHCPUWMZJXLRT-HCYCVZQXSA-N -1 0 327.380 3.818 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)/C=C/c1ccc(F)c2ccccc12 ZINC000864116057 1137215813 /nfs/dbraw/zinc/21/58/13/1137215813.db2.gz ABKXAHMZAJGFPP-CSKARUKUSA-N -1 0 329.371 3.704 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(C3CCOCC3)cc2)cc1F ZINC000864122055 1137216305 /nfs/dbraw/zinc/21/63/05/1137216305.db2.gz LYBCWAPZTZZITI-UHFFFAOYSA-N -1 0 343.354 3.670 20 0 EHADRM C[C@@H]1CCN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)[C@H]1c1cccc(F)c1 ZINC000864130748 1137216403 /nfs/dbraw/zinc/21/64/03/1137216403.db2.gz ZOUAWKSSLSMJTP-MWSHKUMGSA-N -1 0 343.354 3.740 20 0 EHADRM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000864129006 1137216529 /nfs/dbraw/zinc/21/65/29/1137216529.db2.gz CGJPLBIZFMJLMP-ZANYVSNCSA-N -1 0 343.354 3.535 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2ccc3c(c2)OC(C)(C)C3)cc1 ZINC000864149057 1137217114 /nfs/dbraw/zinc/21/71/14/1137217114.db2.gz MYUJFBZJEHETGN-GFCCVEGCSA-N -1 0 339.391 3.841 20 0 EHADRM Cc1ccc([C@H]2CCN(C(=O)/C=C\c3cc(C(=O)[O-])co3)C2)c(C)c1 ZINC000864159426 1137217650 /nfs/dbraw/zinc/21/76/50/1137217650.db2.gz ZCIYFNPLEJUUGQ-VOKGJARPSA-N -1 0 339.391 3.624 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)/C=C/c2ccc(Cl)s2)[C@@H]2CCC[C@H]21 ZINC000864174517 1137217868 /nfs/dbraw/zinc/21/78/68/1137217868.db2.gz GJGVPFVHUGJSOR-KPYDALDBSA-N -1 0 339.844 3.517 20 0 EHADRM Cc1ccc(N(CC2CC2)C(=O)C2CCC(C(=O)[O-])CC2)cc1F ZINC000864178668 1137218053 /nfs/dbraw/zinc/21/80/53/1137218053.db2.gz IPGSZFCXPGFJCR-UHFFFAOYSA-N -1 0 333.403 3.768 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)N[C@](C)(CC(=O)[O-])C1CC1 ZINC000864198570 1137218786 /nfs/dbraw/zinc/21/87/86/1137218786.db2.gz JHTGWYSJFNTIBF-QLJPJBMISA-N -1 0 341.860 3.580 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)N[C@](C)(CC(=O)[O-])C2CC2)cc1 ZINC000864204143 1137218798 /nfs/dbraw/zinc/21/87/98/1137218798.db2.gz RJWVNJKOGXYNTO-DPZZJQGRSA-N -1 0 329.440 3.973 20 0 EHADRM Cc1ccc(C(=O)N2CCC[C@](F)(c3ccccc3)C2)cc1C(=O)[O-] ZINC000864202877 1137218950 /nfs/dbraw/zinc/21/89/50/1137218950.db2.gz WOQQPGVFNALUGL-HXUWFJFHSA-N -1 0 341.382 3.794 20 0 EHADRM Cc1nc(C2CCN(C(=O)/C=C/C3CCCC3)CC2)sc1C(=O)[O-] ZINC000864225199 1137219171 /nfs/dbraw/zinc/21/91/71/1137219171.db2.gz OUFJQYYINJWQFW-VOTSOKGWSA-N -1 0 348.468 3.602 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)[C@H]2Cc3ccc(Cl)cc32)c1 ZINC000864233629 1137219558 /nfs/dbraw/zinc/21/95/58/1137219558.db2.gz XYJTYHQPNDLPNJ-IRXDYDNUSA-N -1 0 343.810 3.620 20 0 EHADRM CCc1ccc(NC(=O)Cc2nc(=O)c3c(C)sc(C)c3[n-]2)cc1 ZINC000864355015 1137223178 /nfs/dbraw/zinc/22/31/78/1137223178.db2.gz KBHGCGXFIOSBHV-UHFFFAOYSA-N -1 0 341.436 3.757 20 0 EHADRM Cc1sc(C)c2c1[n-]c(CC(=O)Nc1c(C)cccc1C)nc2=O ZINC000864356943 1137223612 /nfs/dbraw/zinc/22/36/12/1137223612.db2.gz ZGMYOEPZKAUKIP-UHFFFAOYSA-N -1 0 341.436 3.812 20 0 EHADRM C[C@@H](Cc1ccc(NCc2cccnc2Br)cc1)C(=O)[O-] ZINC000864513319 1137231036 /nfs/dbraw/zinc/23/10/36/1137231036.db2.gz ZYZFXFWITGFUHL-NSHDSACASA-N -1 0 349.228 3.719 20 0 EHADRM CCCCC[C@@H](NC(=O)Nc1cccc(C2CCOCC2)c1)C(=O)[O-] ZINC000864582808 1137235395 /nfs/dbraw/zinc/23/53/95/1137235395.db2.gz HTRYXFIWARKIDS-QGZVFWFLSA-N -1 0 348.443 3.736 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC000864583993 1137235709 /nfs/dbraw/zinc/23/57/09/1137235709.db2.gz GAQJHKDDVBROFN-UHFFFAOYSA-N -1 0 336.335 3.627 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)Cc1c(Cl)n(-c2ccccc2)nc1C(C)C ZINC000844938738 1137264306 /nfs/dbraw/zinc/26/43/06/1137264306.db2.gz WUKRTGSQKBTAKO-OAHLLOKOSA-N -1 0 349.862 3.944 20 0 EHADRM O=C([N-]CCCSCc1c(Cl)cncc1Cl)C(F)(F)F ZINC000865288669 1137274471 /nfs/dbraw/zinc/27/44/71/1137274471.db2.gz RDPZZSMESZIUPZ-UHFFFAOYSA-N -1 0 347.189 3.690 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)/C=C\C1CCCCCC1 ZINC000846114827 1137333690 /nfs/dbraw/zinc/33/36/90/1137333690.db2.gz FRDKXRHUCGAVPT-FLIBITNWSA-N -1 0 331.412 3.924 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(C(=O)/C=C\C2CCCC2)CC1 ZINC000846119835 1137334140 /nfs/dbraw/zinc/33/41/40/1137334140.db2.gz LCTMWHNHOUAYBA-KTKRTIGZSA-N -1 0 341.451 3.912 20 0 EHADRM COc1ccc(OCCC(=O)Nc2ccc3[n-]c(=S)oc3c2)cc1 ZINC000121112092 1137361152 /nfs/dbraw/zinc/36/11/52/1137361152.db2.gz YSCUEBASZRSJAH-UHFFFAOYSA-N -1 0 344.392 3.533 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000846709252 1137363227 /nfs/dbraw/zinc/36/32/27/1137363227.db2.gz VQBMFSJUMWOFRY-UHFFFAOYSA-N -1 0 338.835 3.770 20 0 EHADRM CC1(CNC(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])CCCC1 ZINC001144972334 1137374625 /nfs/dbraw/zinc/37/46/25/1137374625.db2.gz JMUVVBBQTNCRNC-UHFFFAOYSA-N -1 0 327.380 3.775 20 0 EHADRM CCC(F)(F)C(=O)[N-][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000846937898 1137376501 /nfs/dbraw/zinc/37/65/01/1137376501.db2.gz LUFPATAPIJLIMQ-JTQLQIEISA-N -1 0 345.695 3.554 20 0 EHADRM Cc1ccc(Sc2nsc(NC(=O)c3cccc(F)n3)n2)cc1 ZINC000121622956 1137378922 /nfs/dbraw/zinc/37/89/22/1137378922.db2.gz SIEZHJYLIXBJIQ-UHFFFAOYSA-N -1 0 346.412 3.784 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCc2oc(-c3ccccc3)cc2C1 ZINC001146213952 1137387934 /nfs/dbraw/zinc/38/79/34/1137387934.db2.gz JOMXKQVDRMFCSA-UHFFFAOYSA-N -1 0 337.350 3.990 20 0 EHADRM CC(C)c1cc(C(=O)Nc2ccc(F)c(Br)c2[O-])no1 ZINC001147487720 1137408610 /nfs/dbraw/zinc/40/86/10/1137408610.db2.gz TVLBYTSLBHNFAP-UHFFFAOYSA-N -1 0 343.152 3.658 20 0 EHADRM COc1c(C)cc(Cl)cc1NC(=O)c1s[n-]c(=O)c1Cl ZINC001147935354 1137414896 /nfs/dbraw/zinc/41/48/96/1137414896.db2.gz CKJSORLTGONLKL-UHFFFAOYSA-N -1 0 333.196 3.725 20 0 EHADRM Cc1cc(C)c(NC(=O)c2ccccc2C2CC2)c(S(=O)(=O)[O-])c1 ZINC001148478557 1137425871 /nfs/dbraw/zinc/42/58/71/1137425871.db2.gz HYEJIPGEHSNKBH-UHFFFAOYSA-N -1 0 345.420 3.680 20 0 EHADRM CCc1oc(C(=O)N2CCC[C@H]2Cc2ccc(F)cc2)cc1C(=O)[O-] ZINC000339087141 1137435206 /nfs/dbraw/zinc/43/52/06/1137435206.db2.gz AOIDNOAQAKHCQT-AWEZNQCLSA-N -1 0 345.370 3.527 20 0 EHADRM CCc1oc(C(=O)N(C)Cc2ccc(F)cc2Cl)cc1C(=O)[O-] ZINC000339090267 1137441005 /nfs/dbraw/zinc/44/10/05/1137441005.db2.gz VJAHWECUYGRPHU-UHFFFAOYSA-N -1 0 339.750 3.605 20 0 EHADRM Cc1ccc(SC2(C(=O)[N-]OCCOC(C)C)CCCC2)cc1 ZINC000795073342 1137448451 /nfs/dbraw/zinc/44/84/51/1137448451.db2.gz HWWSXWLDGQWWIC-UHFFFAOYSA-N -1 0 337.485 3.873 20 0 EHADRM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CC/C=C/c1ccccc1 ZINC000122763146 1137466339 /nfs/dbraw/zinc/46/63/39/1137466339.db2.gz PYKMPWUYPRWETK-OQRGYWNNSA-N -1 0 343.448 3.687 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cc3ccccc3o2)noc1C(C)(C)C ZINC000872007057 1137564362 /nfs/dbraw/zinc/56/43/62/1137564362.db2.gz IPQSUWCTLVTTSI-UHFFFAOYSA-N -1 0 334.397 3.828 20 0 EHADRM O=C([O-])c1ccc(C[N@@H+]2CCC[C@H](OC3CCC3)CC2)cc1Cl ZINC000872163119 1137574780 /nfs/dbraw/zinc/57/47/80/1137574780.db2.gz WVDOWEMNNQDULC-HNNXBMFYSA-N -1 0 337.847 3.962 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)[C@](C)(CC(=O)[O-])c2ccc(F)cc2)s1 ZINC000872838658 1137585351 /nfs/dbraw/zinc/58/53/51/1137585351.db2.gz HHGATRMJBSFRKJ-KZULUSFZSA-N -1 0 349.427 3.805 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000872861170 1137585625 /nfs/dbraw/zinc/58/56/25/1137585625.db2.gz GHBHDLLJFWDAGV-UHFFFAOYSA-N -1 0 340.203 3.667 20 0 EHADRM C[C@@](CC(=O)N[C@H]1C=CCC1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000872981563 1137587440 /nfs/dbraw/zinc/58/74/40/1137587440.db2.gz FBBCUGCZRUCMGL-ZBEGNZNMSA-N -1 0 342.222 3.561 20 0 EHADRM CCc1ccc(Br)c(NC(=O)[C@@](C)(CC)CC(=O)[O-])c1 ZINC000873005528 1137587809 /nfs/dbraw/zinc/58/78/09/1137587809.db2.gz WLCYXSKAKJNMNT-HNNXBMFYSA-N -1 0 342.233 3.841 20 0 EHADRM Cc1ccc(NC(=O)[C@@H](C)O[C@@H](C)C(=O)[O-])cc1-c1ccsc1 ZINC000873003989 1137587837 /nfs/dbraw/zinc/58/78/37/1137587837.db2.gz FUZWWDKSZBQEMM-NEPJUHHUSA-N -1 0 333.409 3.540 20 0 EHADRM C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])C1 ZINC000873733040 1137606426 /nfs/dbraw/zinc/60/64/26/1137606426.db2.gz VWXJTXWYYVATDQ-BETUJISGSA-N -1 0 327.380 3.583 20 0 EHADRM CCN(C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])C1CCCC1 ZINC000874068899 1137610049 /nfs/dbraw/zinc/61/00/49/1137610049.db2.gz OKDGPZXNRGJOLH-UHFFFAOYSA-N -1 0 327.380 3.869 20 0 EHADRM CC(C)N(Cc1ccccc1)C(=O)NCc1ccccc1C(=O)[O-] ZINC000874410122 1137613704 /nfs/dbraw/zinc/61/37/04/1137613704.db2.gz KIGYIIOCMAPOFT-UHFFFAOYSA-N -1 0 326.396 3.505 20 0 EHADRM CC1(C)[C@H](NC(=O)c2cc(Cl)cc(Cl)c2[O-])[C@@H]2CCCO[C@@H]21 ZINC001137082140 1137621901 /nfs/dbraw/zinc/62/19/01/1137621901.db2.gz QCKUZNZZWWYQON-FZZIBODNSA-N -1 0 344.238 3.632 20 0 EHADRM O=Cc1cc(-c2ccc(Cl)c(Cl)c2)ccc1OCC(=O)[O-] ZINC000874969988 1137627254 /nfs/dbraw/zinc/62/72/54/1137627254.db2.gz XBXBXYLVGRKYMD-UHFFFAOYSA-N -1 0 325.147 3.936 20 0 EHADRM Cc1ccc(-c2ccc(OCC(=O)[O-])c(C=O)c2)cc1C(F)(F)F ZINC000874969895 1137627272 /nfs/dbraw/zinc/62/72/72/1137627272.db2.gz HXLDVRKGKFEYGS-UHFFFAOYSA-N -1 0 338.281 3.957 20 0 EHADRM CCc1c(C(=O)[O-])cnn1-c1ccc(-c2ccc(C=O)s2)cc1 ZINC000874971424 1137627311 /nfs/dbraw/zinc/62/73/11/1137627311.db2.gz GIOOVPVSNCIPHK-UHFFFAOYSA-N -1 0 326.377 3.674 20 0 EHADRM CCc1c(C(=O)[O-])cnn1-c1ccc(-c2ccc(C=O)c(F)c2)cc1 ZINC000874972538 1137627388 /nfs/dbraw/zinc/62/73/88/1137627388.db2.gz CMMBNOAUNPDNDE-UHFFFAOYSA-N -1 0 338.338 3.752 20 0 EHADRM CCCCC[C@H](NC(=O)c1ccc2oc(=O)nc-2[n-]1)c1ccccc1 ZINC000825851332 1137645313 /nfs/dbraw/zinc/64/53/13/1137645313.db2.gz NYHJUMOGIBALIG-AWEZNQCLSA-N -1 0 339.395 3.980 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cnc(CC2CC2)s1 ZINC000879983026 1137763819 /nfs/dbraw/zinc/76/38/19/1137763819.db2.gz RBEANLDMQZTBII-UHFFFAOYSA-N -1 0 326.780 3.846 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC[C@H](CF)C3)n2)cc1 ZINC000881596892 1137811310 /nfs/dbraw/zinc/81/13/10/1137811310.db2.gz KITZQBFRPIHWJV-CQSZACIVSA-N -1 0 345.418 3.523 20 0 EHADRM Cc1cc(C)c(N2CC[C@H]([N-]c3nnc(C(C)(C)C)o3)C2=O)c(C)c1 ZINC000882245133 1137824199 /nfs/dbraw/zinc/82/41/99/1137824199.db2.gz FRHYRQUFTUYOED-AWEZNQCLSA-N -1 0 342.443 3.510 20 0 EHADRM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(F)c2C)c1 ZINC000130728886 1137841554 /nfs/dbraw/zinc/84/15/54/1137841554.db2.gz ZLBFUQKWUIHPJI-UHFFFAOYSA-N -1 0 341.791 3.791 20 0 EHADRM Cc1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)c2ccccc2)c(C)n1C(C)C ZINC000131699637 1137859158 /nfs/dbraw/zinc/85/91/58/1137859158.db2.gz UYRXDHBYBDIFCA-HNNXBMFYSA-N -1 0 348.468 3.507 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)N2CCc3ccccc3C2)cc1 ZINC000108067620 1137888566 /nfs/dbraw/zinc/88/85/66/1137888566.db2.gz RYKIYHRXDAWQGR-XMMPIXPASA-N -1 0 341.476 3.503 20 0 EHADRM Cc1cccc(S([O-])=CC(=O)N[C@H](C)c2ccc(C)c(C)c2)c1 ZINC000108102494 1137888670 /nfs/dbraw/zinc/88/86/70/1137888670.db2.gz SARYYNPTVDIPFE-WAIKUNEKSA-N -1 0 329.465 3.597 20 0 EHADRM Cc1ccccc1S([O-])=CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000108087529 1137888697 /nfs/dbraw/zinc/88/86/97/1137888697.db2.gz NTAHXGCJVVXGDA-MHECFPHRSA-N -1 0 341.476 3.639 20 0 EHADRM CC[C@H](NC(=O)CC1(C(=O)[O-])CCCC1)c1ccc(F)cc1F ZINC000348281323 1137893217 /nfs/dbraw/zinc/89/32/17/1137893217.db2.gz MMUPDDHIRRYPPX-AWEZNQCLSA-N -1 0 325.355 3.567 20 0 EHADRM O=S(=O)(/C=C/c1ccccc1F)[N-]c1nc2ccsc2s1 ZINC000800038669 1137895237 /nfs/dbraw/zinc/89/52/37/1137895237.db2.gz YJAHBBBQMVAVOE-SOFGYWHQSA-N -1 0 340.426 3.910 20 0 EHADRM CCn1nc(C)c([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c1C ZINC000014227553 1137931010 /nfs/dbraw/zinc/93/10/10/1137931010.db2.gz ZFEBKZJMUUGZBB-UHFFFAOYSA-N -1 0 335.473 3.519 20 0 EHADRM O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1c([O-])cccc1F ZINC000120708440 1137951907 /nfs/dbraw/zinc/95/19/07/1137951907.db2.gz OHGNQKCFJNWUDL-CYBMUJFWSA-N -1 0 345.370 3.732 20 0 EHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000885221888 1137989158 /nfs/dbraw/zinc/98/91/58/1137989158.db2.gz YBQPJSCIJTYEBU-UKRRQHHQSA-N -1 0 328.437 3.767 20 0 EHADRM Cc1csc(C[C@H]2CCN(C(=O)c3ccc([O-])c(Cl)c3)C2)n1 ZINC000886238259 1138062002 /nfs/dbraw/zinc/06/20/02/1138062002.db2.gz VJKFWQRLMUQWOQ-LLVKDONJSA-N -1 0 336.844 3.515 20 0 EHADRM CCSCc1cccnc1[N-]S(=O)(=O)c1cc(C)sc1C ZINC000886444698 1138078629 /nfs/dbraw/zinc/07/86/29/1138078629.db2.gz GXSHBHKZMAKLCJ-UHFFFAOYSA-N -1 0 342.511 3.814 20 0 EHADRM O=c1cc(CN(CC(F)F)C2CCC2)c2cc(Cl)c([O-])cc2o1 ZINC000887102291 1138211104 /nfs/dbraw/zinc/21/11/04/1138211104.db2.gz KEYQPHOAROYYET-UHFFFAOYSA-N -1 0 343.757 3.772 20 0 EHADRM CC1(C)CCc2c([n-]n(-c3cc(Cl)nc4ncccc34)c2=O)C1 ZINC000887297062 1138258344 /nfs/dbraw/zinc/25/83/44/1138258344.db2.gz SBTPHIROPSYEAC-SNVBAGLBSA-N -1 0 328.803 3.812 20 0 EHADRM CN(C(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1)C(C)(C)C(=O)[O-] ZINC000887383011 1138294273 /nfs/dbraw/zinc/29/42/73/1138294273.db2.gz ZMBCPYDJPOSSDJ-SNVBAGLBSA-N -1 0 336.285 3.586 20 0 EHADRM COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1nc(=O)c2sccc2[n-]1 ZINC000263847608 1138379707 /nfs/dbraw/zinc/37/97/07/1138379707.db2.gz NVOVYNPTOXBZDQ-LLVKDONJSA-N -1 0 329.425 3.565 20 0 EHADRM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cccnc3C)c2)n1 ZINC000337138709 1138476935 /nfs/dbraw/zinc/47/69/35/1138476935.db2.gz PIEWGHFHKLWQCZ-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM CC[C@@H](NC(=O)CC1(CC(=O)[O-])CCCCC1)c1nc(C)cs1 ZINC000264409654 1138504019 /nfs/dbraw/zinc/50/40/19/1138504019.db2.gz ZKEQCUJXQZUGFQ-CYBMUJFWSA-N -1 0 338.473 3.834 20 0 EHADRM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC000348451272 1138582827 /nfs/dbraw/zinc/58/28/27/1138582827.db2.gz DQELHMADHMNIMO-UHFFFAOYSA-N -1 0 341.310 3.959 20 0 EHADRM O=C([O-])C1(CC(=O)NCC2CCC(F)(F)CC2)CCCCCC1 ZINC000337660364 1138636419 /nfs/dbraw/zinc/63/64/19/1138636419.db2.gz LCLKQTOSXUMHJG-UHFFFAOYSA-N -1 0 331.403 3.743 20 0 EHADRM CSc1cccc(S(=O)(=O)[N-]c2ccccc2SC)c1 ZINC000337760670 1138661638 /nfs/dbraw/zinc/66/16/38/1138661638.db2.gz OULYUXGDEKSUBW-UHFFFAOYSA-N -1 0 325.480 3.931 20 0 EHADRM CO[C@H](C)c1nc(=N[C@@H]2CC=C(c3ccc(F)cc3)CC2)s[n-]1 ZINC000337784716 1138666979 /nfs/dbraw/zinc/66/69/79/1138666979.db2.gz ANCKEAAMCRUGNZ-IAQYHMDHSA-N -1 0 333.432 3.855 20 0 EHADRM CC[C@@H](NC(=O)N=c1[n-]nc(CC(C)C)s1)c1ccc(C)cc1 ZINC000338246495 1138799557 /nfs/dbraw/zinc/79/95/57/1138799557.db2.gz KUDXPYPFHQRMNG-CQSZACIVSA-N -1 0 332.473 3.740 20 0 EHADRM CCC[C@@H](NC(=O)c1oc2c(ccc3ccccc23)c1C)c1nnn[n-]1 ZINC000136712049 1138809700 /nfs/dbraw/zinc/80/97/00/1138809700.db2.gz XOPJQXSUDUDUMN-OAHLLOKOSA-N -1 0 349.394 3.679 20 0 EHADRM CCCCC[C@@H](C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1)C(C)C ZINC000152985007 1139117196 /nfs/dbraw/zinc/11/71/96/1139117196.db2.gz NXWZJYQAMGRQDD-CYBMUJFWSA-N -1 0 349.500 3.796 20 0 EHADRM CCOc1cc2c(cc1NC(=O)c1cc(F)c([O-])c(F)c1)O[C@H](C)C2 ZINC000177119241 1139598250 /nfs/dbraw/zinc/59/82/50/1139598250.db2.gz USTVHGSHMOJMFZ-SECBINFHSA-N -1 0 349.333 3.645 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCC[C@@H](C)C2)c1Cl ZINC000777349408 1139784399 /nfs/dbraw/zinc/78/43/99/1139784399.db2.gz JTWJSGXOGFLRPN-DGCLKSJQSA-N -1 0 343.876 3.670 20 0 EHADRM Cc1ccc([C@H]2CSCCN2C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000180011094 1139801161 /nfs/dbraw/zinc/80/11/61/1139801161.db2.gz JPBGEORKBWFGJL-IXDOHACOSA-N -1 0 347.480 3.503 20 0 EHADRM O=C(N[C@H](Cc1ccccc1)C1CC1)c1cc(F)c(F)c([O-])c1F ZINC000180040714 1139804600 /nfs/dbraw/zinc/80/46/00/1139804600.db2.gz XGTNHGQTVMPOLC-CQSZACIVSA-N -1 0 335.325 3.561 20 0 EHADRM COc1cccc(/C(C)=C\C(=O)NCC2(CC(=O)[O-])CCCCC2)c1 ZINC000777380884 1139948315 /nfs/dbraw/zinc/94/83/15/1139948315.db2.gz PDUSJKQYCVZTRV-PTNGSMBKSA-N -1 0 345.439 3.640 20 0 EHADRM COCc1cccc(S(=O)(=O)[N-]c2cccc(C(C)(C)C)c2O)c1 ZINC000187082722 1140237040 /nfs/dbraw/zinc/23/70/40/1140237040.db2.gz NTMIOHURFCSQGF-UHFFFAOYSA-N -1 0 349.452 3.637 20 0 EHADRM Cc1ccc(-c2ncccc2NC(=O)NO[C@@H]2CCCCO2)s1 ZINC000189483649 1140346383 /nfs/dbraw/zinc/34/63/83/1140346383.db2.gz YKHXQHKEMCRGQP-CQSZACIVSA-N -1 0 333.413 3.698 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000192895357 1140555267 /nfs/dbraw/zinc/55/52/67/1140555267.db2.gz KVCDMPSXVQVLPV-GUYCJALGSA-N -1 0 343.448 3.844 20 0 EHADRM O=C([O-])CCCCCNC(=O)CCCCc1nc2ccccc2s1 ZINC000268986350 1141040392 /nfs/dbraw/zinc/04/03/92/1141040392.db2.gz PYRCWRNIGDSGJQ-UHFFFAOYSA-N -1 0 348.468 3.770 20 0 EHADRM O=C([O-])CCCCCNC(=O)CCc1cccc(OC2CCCC2)c1 ZINC000268992699 1141041629 /nfs/dbraw/zinc/04/16/29/1141041629.db2.gz UFOZZUAFHFVVAC-UHFFFAOYSA-N -1 0 347.455 3.702 20 0 EHADRM O=C(CC[C@@H]1CCCO1)Nc1cc(Br)cc(Cl)c1[O-] ZINC000270680749 1141256344 /nfs/dbraw/zinc/25/63/44/1141256344.db2.gz UPRAWTNKBDAIIX-VIFPVBQESA-N -1 0 348.624 3.706 20 0 EHADRM CC(C)c1nnc([C@@H](C)NC(=O)C(F)(F)c2cccc(Cl)c2)[nH]1 ZINC000270974966 1141288522 /nfs/dbraw/zinc/28/85/22/1141288522.db2.gz CGFXJJOMEIINLN-SECBINFHSA-N -1 0 342.777 3.551 20 0 EHADRM O=C(c1s[n-]c(=O)c1Cl)N1CCC[C@@H]1c1cccc(F)c1 ZINC000283077503 1141548703 /nfs/dbraw/zinc/54/87/03/1141548703.db2.gz QDKZYWCVFIHEEC-SNVBAGLBSA-N -1 0 326.780 3.619 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000283401289 1141618118 /nfs/dbraw/zinc/61/81/18/1141618118.db2.gz SUYQTPOPBLXNHZ-LBPRGKRZSA-N -1 0 331.309 3.726 20 0 EHADRM O=S(=O)([N-]c1ccc(Oc2ccncc2)cc1)c1cccs1 ZINC000050534565 214059680 /nfs/dbraw/zinc/05/96/80/214059680.db2.gz PLWTWDCQZXRHMZ-UHFFFAOYSA-N -1 0 332.406 3.736 20 0 EHADRM Cc1ccsc1C(=O)Nc1cc(Br)ccc1C(=O)[O-] ZINC000037742340 213164739 /nfs/dbraw/zinc/16/47/39/213164739.db2.gz NKSFBIZSYJYBPU-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM O=C([O-])CCCNc1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000020278795 212115875 /nfs/dbraw/zinc/11/58/75/212115875.db2.gz DVKWDLSAJQVJMV-UHFFFAOYSA-N -1 0 331.372 3.774 20 0 EHADRM O=C(Nc1cc([C@H]2CCCO2)[nH]n1)c1c([O-])cc(Cl)cc1Cl ZINC000526959374 478408673 /nfs/dbraw/zinc/40/86/73/478408673.db2.gz LNOHGXYKOXVXFR-LLVKDONJSA-N -1 0 342.182 3.526 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818084863 596925322 /nfs/dbraw/zinc/92/53/22/596925322.db2.gz FHPKXDLQEPGGIN-YOEHRIQHSA-N -1 0 338.407 3.724 20 0 EHADRM C[C@@H](Sc1ncc(-c2ccccc2)n1CC(F)(F)F)C(=O)[O-] ZINC000739052789 597052941 /nfs/dbraw/zinc/05/29/41/597052941.db2.gz MHPQBRSZHRPWPR-SECBINFHSA-N -1 0 330.331 3.678 20 0 EHADRM CC(C)(CCCc1ccccc1)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000533196533 597098301 /nfs/dbraw/zinc/09/83/01/597098301.db2.gz RITKZVPUFMDRCF-KRWDZBQOSA-N -1 0 331.456 3.749 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000347395780 597154503 /nfs/dbraw/zinc/15/45/03/597154503.db2.gz BZNHJNXFFLXCPW-UHFFFAOYSA-N -1 0 340.832 3.771 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N[C@H]2CCSc3ccccc32)c1 ZINC000738624212 597186822 /nfs/dbraw/zinc/18/68/22/597186822.db2.gz NNPFZIBBYOWYJZ-HNNXBMFYSA-N -1 0 342.420 3.672 20 0 EHADRM CC[C@@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)c1ccc(F)cc1F ZINC000737783302 597192132 /nfs/dbraw/zinc/19/21/32/597192132.db2.gz MKVFTNGBYMRNQP-MRXNPFEDSA-N -1 0 348.349 3.865 20 0 EHADRM CC(C)(C)c1nc(C[S@@](=O)Cc2ccc(C(=O)[O-])cc2)cs1 ZINC000817818152 597285345 /nfs/dbraw/zinc/28/53/45/597285345.db2.gz HTYIVWYIJZKMCB-QFIPXVFZSA-N -1 0 337.466 3.588 20 0 EHADRM O=C([O-])c1ccc(C[S@](=O)Cc2ccccc2C(F)(F)F)cc1 ZINC000819687694 597285389 /nfs/dbraw/zinc/28/53/89/597285389.db2.gz WTVINVDSWCZQOW-QHCPKHFHSA-N -1 0 342.338 3.853 20 0 EHADRM O=C([O-])CCCNC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000263379240 597307890 /nfs/dbraw/zinc/30/78/90/597307890.db2.gz COCLOCRJRDSQSE-UHFFFAOYSA-N -1 0 345.226 3.532 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000391947944 597312592 /nfs/dbraw/zinc/31/25/92/597312592.db2.gz ATVIFJGGQSNEOO-CYBMUJFWSA-N -1 0 347.436 3.628 20 0 EHADRM Cc1ccccc1CC(C)(C)NC(=O)Nc1ccccc1CC(=O)[O-] ZINC000818958686 597330345 /nfs/dbraw/zinc/33/03/45/597330345.db2.gz CTIPJFQWWYNFAD-UHFFFAOYSA-N -1 0 340.423 3.765 20 0 EHADRM CN(Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000320080180 597338184 /nfs/dbraw/zinc/33/81/84/597338184.db2.gz BMSQGCHDMKJHFE-UHFFFAOYSA-N -1 0 332.787 3.631 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N2CC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000821538453 597380040 /nfs/dbraw/zinc/38/00/40/597380040.db2.gz PNPJPQOEXABLJI-MRXNPFEDSA-N -1 0 344.798 3.946 20 0 EHADRM O=C([O-])CSc1nnc(-c2ccccc2Cl)n1C1CCCC1 ZINC000821537086 598089191 /nfs/dbraw/zinc/08/91/91/598089191.db2.gz LNSLOMGMUGDCMD-UHFFFAOYSA-N -1 0 337.832 3.890 20 0 EHADRM CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000820261412 598154946 /nfs/dbraw/zinc/15/49/46/598154946.db2.gz JYEUKZPWPZZCSW-UHFFFAOYSA-N -1 0 346.770 3.639 20 0 EHADRM Cc1coc(-c2ccc(C)c(NC(=O)c3ccc(C(=O)[O-])cc3)c2)n1 ZINC000821147130 598156837 /nfs/dbraw/zinc/15/68/37/598156837.db2.gz XLLOAHNFZFHJKL-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)NCCCCC(=O)[O-] ZINC000666558795 598167460 /nfs/dbraw/zinc/16/74/60/598167460.db2.gz YBWQUXRXCWENNT-NSHDSACASA-N -1 0 346.349 3.663 20 0 EHADRM C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)NCCCCC(=O)[O-] ZINC000666558278 598167736 /nfs/dbraw/zinc/16/77/36/598167736.db2.gz NNWHMPSOZXETPF-LLVKDONJSA-N -1 0 346.349 3.663 20 0 EHADRM O=C([O-])[C@@H](NCc1coc(-c2c(F)cccc2F)n1)c1ccccc1 ZINC000821541578 598200667 /nfs/dbraw/zinc/20/06/67/598200667.db2.gz PYYASYDMGIOWSR-INIZCTEOSA-N -1 0 344.317 3.535 20 0 EHADRM C[C@H](CC(=O)OCc1cccc(-c2nn[nH]n2)c1)C1CCCCC1 ZINC000735974223 598288903 /nfs/dbraw/zinc/28/89/03/598288903.db2.gz BABVXJXRJTXTDQ-CYBMUJFWSA-N -1 0 328.416 3.516 20 0 EHADRM C[C@@H](CC(=O)OCc1ccc(-c2nn[nH]n2)cc1)C1CCCCC1 ZINC000735977712 598289266 /nfs/dbraw/zinc/28/92/66/598289266.db2.gz QZERZESJUREVRH-ZDUSSCGKSA-N -1 0 328.416 3.516 20 0 EHADRM CC(C)CCOc1ccc([C@@H](C)Nc2ccc(C(=O)[O-])nn2)cc1 ZINC000736432039 599706275 /nfs/dbraw/zinc/70/62/75/599706275.db2.gz OZHMQVFRLBEUGM-CYBMUJFWSA-N -1 0 329.400 3.773 20 0 EHADRM C[C@H](OCCCNC(=O)c1ccccc1NC(=O)[O-])c1ccccc1 ZINC000736699906 599706458 /nfs/dbraw/zinc/70/64/58/599706458.db2.gz GSPFAKPYJLJKJY-AWEZNQCLSA-N -1 0 342.395 3.674 20 0 EHADRM CC(C)C(=O)Nc1cccc(NC(=O)c2ccccc2NC(=O)[O-])c1 ZINC000736348360 599708107 /nfs/dbraw/zinc/70/81/07/599708107.db2.gz XOSGXNCKENSLJE-UHFFFAOYSA-N -1 0 341.367 3.623 20 0 EHADRM CN(Cc1nc2ccccc2s1)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737497123 599709705 /nfs/dbraw/zinc/70/97/05/599709705.db2.gz XQFXQHSJZLECSF-INIZCTEOSA-N -1 0 330.384 3.693 20 0 EHADRM C[C@@H](CN(C)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1ccccc1 ZINC000736569092 599710450 /nfs/dbraw/zinc/71/04/50/599710450.db2.gz NEBLCLPYLVWACN-NSHDSACASA-N -1 0 348.349 3.930 20 0 EHADRM O=C([O-])[C@H](c1ccc(F)cc1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000580785348 599711369 /nfs/dbraw/zinc/71/13/69/599711369.db2.gz AQLRAFOWCNLTRL-SJORKVTESA-N -1 0 349.789 3.678 20 0 EHADRM CC(C)[C@H](NC(=O)CCCNC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000736358610 599712415 /nfs/dbraw/zinc/71/24/15/599712415.db2.gz KTRKZKMZAYCMFE-KRWDZBQOSA-N -1 0 334.460 3.845 20 0 EHADRM C[C@@H](c1ccccn1)N(C)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736723398 599713199 /nfs/dbraw/zinc/71/31/99/599713199.db2.gz FTCOAWYPINXFID-JTQLQIEISA-N -1 0 332.335 3.536 20 0 EHADRM O=C([O-])c1cnc(NC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)s1 ZINC000740258569 599714740 /nfs/dbraw/zinc/71/47/40/599714740.db2.gz FHGKJQXSBCLMLF-ZIAGYGMSSA-N -1 0 338.388 3.737 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N2CCC[C@H](C(F)(F)F)C2)ccc1F ZINC000740005766 599716256 /nfs/dbraw/zinc/71/62/56/599716256.db2.gz QDPPPLHCRZGBML-QMMMGPOBSA-N -1 0 349.284 3.722 20 0 EHADRM C[C@@H]1CCc2c(C(=O)Nc3cccc(C(=O)[O-])c3O)csc2C1 ZINC000322181685 599720277 /nfs/dbraw/zinc/72/02/77/599720277.db2.gz HLNYVVNTPCUJIW-SECBINFHSA-N -1 0 331.393 3.529 20 0 EHADRM COc1ccc([C@@H](C)C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)cc1 ZINC000737945527 599726734 /nfs/dbraw/zinc/72/67/34/599726734.db2.gz AXEWAQPBGNLRFV-GFCCVEGCSA-N -1 0 328.368 3.552 20 0 EHADRM CN(CCCC(=O)Nc1ccccc1Cc1ccccc1)C(=O)[O-] ZINC000737430780 599728003 /nfs/dbraw/zinc/72/80/03/599728003.db2.gz IFYCWOVHFTUUFS-UHFFFAOYSA-N -1 0 326.396 3.606 20 0 EHADRM Cc1oc(CSc2nnc(Cc3cccc(F)c3)o2)cc1C(=O)[O-] ZINC000738976526 599731532 /nfs/dbraw/zinc/73/15/32/599731532.db2.gz SZRGAYSYIRBHBB-UHFFFAOYSA-N -1 0 348.355 3.691 20 0 EHADRM CC(C)C[C@@H](C)CC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000736402011 599733049 /nfs/dbraw/zinc/73/30/49/599733049.db2.gz NHIDNSXEVOPTOC-CYBMUJFWSA-N -1 0 325.836 3.826 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1)C(=O)[O-] ZINC000485728422 599733459 /nfs/dbraw/zinc/73/34/59/599733459.db2.gz ZBEIIMCOGZGVNT-CQSZACIVSA-N -1 0 345.826 3.632 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N[C@@H]2CCCCc3ccccc32)cc1 ZINC000738499472 599735352 /nfs/dbraw/zinc/73/53/52/599735352.db2.gz PCVICJAERKCEFC-GOSISDBHSA-N -1 0 338.407 3.652 20 0 EHADRM O=C([O-])CSCCC(=O)Nc1ccccc1Oc1cccc(F)c1 ZINC000739854078 599750228 /nfs/dbraw/zinc/75/02/28/599750228.db2.gz SAIUSJRZVVFIHE-UHFFFAOYSA-N -1 0 349.383 3.764 20 0 EHADRM O=C([O-])NCCCC(=O)N1CC=C(c2cccc3ccccc32)CC1 ZINC000739953853 599753051 /nfs/dbraw/zinc/75/30/51/599753051.db2.gz OJOXJXZKIZVDRX-UHFFFAOYSA-N -1 0 338.407 3.503 20 0 EHADRM COc1ccc(NC(=O)c2[nH]c3ccccc3c2Cl)c(C(=O)[O-])c1 ZINC000564123619 599753618 /nfs/dbraw/zinc/75/36/18/599753618.db2.gz JRCZRCFCYZIRLL-UHFFFAOYSA-N -1 0 344.754 3.780 20 0 EHADRM Cc1ccc2c(CC(=O)Nc3cc(C(=O)[O-])c(F)cc3F)c[nH]c2c1 ZINC000738667415 599764357 /nfs/dbraw/zinc/76/43/57/599764357.db2.gz JCTZZWLJUGPSPS-UHFFFAOYSA-N -1 0 344.317 3.634 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)Oc1cccc(F)c1F)C(=O)[O-] ZINC000736717455 599764445 /nfs/dbraw/zinc/76/44/45/599764445.db2.gz OIWFVBIFOBFJMI-VIFPVBQESA-N -1 0 338.331 3.749 20 0 EHADRM CCCN(CC(=O)[O-])Cn1nc([C@@H](CC)c2ccccc2)oc1=S ZINC000737014678 599767264 /nfs/dbraw/zinc/76/72/64/599767264.db2.gz UALYLIPXJIPYSB-AWEZNQCLSA-N -1 0 349.456 3.502 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccc(CCC(=O)[O-])cc2)o1 ZINC000326951412 599768515 /nfs/dbraw/zinc/76/85/15/599768515.db2.gz JVSNADBTZNBDCC-GUYCJALGSA-N -1 0 341.407 3.992 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)CCCOc2ccc(F)cc2)cc1 ZINC000238026526 599768958 /nfs/dbraw/zinc/76/89/58/599768958.db2.gz FEIJVQKLUPWBLB-UHFFFAOYSA-N -1 0 345.370 3.641 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000237190475 599772382 /nfs/dbraw/zinc/77/23/82/599772382.db2.gz LLRPVXFAKJSKPY-AWEZNQCLSA-N -1 0 341.407 3.845 20 0 EHADRM O=C([O-])[C@H](NCc1csc(Cc2ccccc2)n1)c1ccccc1 ZINC000739506253 599782097 /nfs/dbraw/zinc/78/20/97/599782097.db2.gz WYSBPXBOUZKRKF-GOSISDBHSA-N -1 0 338.432 3.649 20 0 EHADRM O=C([O-])[C@@H](NCc1ncc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000324620514 599784609 /nfs/dbraw/zinc/78/46/09/599784609.db2.gz PPFDYACERSNUSV-KRWDZBQOSA-N -1 0 342.782 3.911 20 0 EHADRM Cc1ccc(-c2nc(COC(=O)c3ccccc3C(=O)[O-])co2)cc1 ZINC000738490150 599788378 /nfs/dbraw/zinc/78/83/78/599788378.db2.gz IOSAPSXFJIMZAY-UHFFFAOYSA-N -1 0 337.331 3.705 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)O[C@H]1CCc2ccc(Cl)cc21 ZINC000736425017 599792658 /nfs/dbraw/zinc/79/26/58/599792658.db2.gz JMLLKZMPPNTTNW-KGLIPLIRSA-N -1 0 325.792 3.553 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2F)s1 ZINC000238054792 599797425 /nfs/dbraw/zinc/79/74/25/599797425.db2.gz HZQPTOHWXLKTMM-UHFFFAOYSA-N -1 0 333.262 3.857 20 0 EHADRM Cc1ccc(-n2cnnc2SCc2cc(C(=O)[O-])co2)cc1Cl ZINC000738498397 599803373 /nfs/dbraw/zinc/80/33/73/599803373.db2.gz SDSOFYOVCISPQL-UHFFFAOYSA-N -1 0 349.799 3.813 20 0 EHADRM CC[C@@H](CC(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1)C(C)C ZINC000736892242 599807100 /nfs/dbraw/zinc/80/71/00/599807100.db2.gz LRZZYWBXGIPITN-JTQLQIEISA-N -1 0 335.429 3.847 20 0 EHADRM Cc1ccc(-c2csc(NC(=O)CCCN(C)C(=O)[O-])n2)c(C)c1 ZINC000738488440 599807210 /nfs/dbraw/zinc/80/72/10/599807210.db2.gz QKNPCBLZPROING-UHFFFAOYSA-N -1 0 347.440 3.755 20 0 EHADRM CCCCC[C@@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccccc1 ZINC000728169595 599807266 /nfs/dbraw/zinc/80/72/66/599807266.db2.gz TUNLDAVPKXVATE-MRXNPFEDSA-N -1 0 326.396 3.831 20 0 EHADRM CCN(Cc1ccoc1)C(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000675963753 599812394 /nfs/dbraw/zinc/81/23/94/599812394.db2.gz UHGDARZVIPPYNJ-LBPRGKRZSA-N -1 0 333.409 3.507 20 0 EHADRM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)C[C@H]1CCCc2ccccc21 ZINC000238030055 599814154 /nfs/dbraw/zinc/81/41/54/599814154.db2.gz FSKIBWGGODXJJU-YLJYHZDGSA-N -1 0 349.430 3.535 20 0 EHADRM CC[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccc1F)c1nc(C)cs1 ZINC000736914313 599816703 /nfs/dbraw/zinc/81/67/03/599816703.db2.gz PAWDLCUIGIXGMG-LLVKDONJSA-N -1 0 337.376 3.562 20 0 EHADRM CCN(CCC(F)(F)F)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000737100625 599816775 /nfs/dbraw/zinc/81/67/75/599816775.db2.gz BWOGGDGEZMSHGS-UHFFFAOYSA-N -1 0 338.713 3.844 20 0 EHADRM CCC[C@H](NC(=O)Nc1cccc(NC(=O)[O-])c1)c1ccccn1 ZINC000736974854 599818868 /nfs/dbraw/zinc/81/88/68/599818868.db2.gz WTHIPFJUWLPPQU-HNNXBMFYSA-N -1 0 328.372 3.834 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CNC(=O)Nc2ccc(CCC(=O)[O-])cc2)o1 ZINC000736766320 599824716 /nfs/dbraw/zinc/82/47/16/599824716.db2.gz RGWIEZVKQKFFRO-LRDDRELGSA-N -1 0 342.395 3.742 20 0 EHADRM Cc1cc(C)c(CNC(=O)Nc2ccc(CCC(=O)[O-])cc2)c(C)c1 ZINC000738354579 599825149 /nfs/dbraw/zinc/82/51/49/599825149.db2.gz CMWKAULDWCGTRG-UHFFFAOYSA-N -1 0 340.423 3.951 20 0 EHADRM Cc1cc(/C=C/C(=O)N(C)C(C)(C)C(=O)[O-])c(C)n1C1CCCCC1 ZINC000738379847 599828055 /nfs/dbraw/zinc/82/80/55/599828055.db2.gz TVBABPBUORAIJV-VAWYXSNFSA-N -1 0 346.471 3.945 20 0 EHADRM C[C@H](Cc1cccs1)NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000322725227 599828216 /nfs/dbraw/zinc/82/82/16/599828216.db2.gz RYJLNXKKYLCHGF-GFCCVEGCSA-N -1 0 332.425 3.518 20 0 EHADRM CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000736907407 599829444 /nfs/dbraw/zinc/82/94/44/599829444.db2.gz RNBKGZJUXWQZMX-KRWDZBQOSA-N -1 0 340.423 3.847 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2ccc(C(=O)[O-])s2)cc1C ZINC000738503502 599836147 /nfs/dbraw/zinc/83/61/47/599836147.db2.gz PTXLCJVCJWHONB-UHFFFAOYSA-N -1 0 331.393 3.665 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)c1ccc(Br)s1 ZINC000035306133 599847013 /nfs/dbraw/zinc/84/70/13/599847013.db2.gz YWCOKRIQOYLWFF-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM Cc1ccc(C)c(OCCC(=O)Nc2cccc(F)c2C(=O)[O-])c1 ZINC000325022711 599847224 /nfs/dbraw/zinc/84/72/24/599847224.db2.gz GMHIFBZFBXWKQY-UHFFFAOYSA-N -1 0 331.343 3.548 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)CSC(C)(C)C)cc1 ZINC000262062906 599847899 /nfs/dbraw/zinc/84/78/99/599847899.db2.gz BKQGHCQLYJSHQR-CYBMUJFWSA-N -1 0 341.498 3.572 20 0 EHADRM Cc1cc(C(=O)N(C)C(C)(C)C(=O)[O-])c(C)n1[C@H](C)c1ccccc1 ZINC000262467146 599848258 /nfs/dbraw/zinc/84/82/58/599848258.db2.gz RPYOSEIQEQDHDJ-CQSZACIVSA-N -1 0 342.439 3.649 20 0 EHADRM C[C@@H](c1ccccc1Br)N(C)Cc1cc(C(=O)[O-])co1 ZINC000736723997 599849508 /nfs/dbraw/zinc/84/95/08/599849508.db2.gz IOKVXBACFKIVGV-JTQLQIEISA-N -1 0 338.201 3.933 20 0 EHADRM COc1cc(CNc2cccc(F)c2C(=O)[O-])ccc1OC(F)F ZINC000737887006 599857051 /nfs/dbraw/zinc/85/70/51/599857051.db2.gz RVBQJTOBVREDDP-UHFFFAOYSA-N -1 0 341.285 3.746 20 0 EHADRM O=C([O-])CCc1ccc(NCC(=O)Nc2cccc3ccccc32)cc1 ZINC000739763136 599857841 /nfs/dbraw/zinc/85/78/41/599857841.db2.gz DSLQNPSQRYOMKB-UHFFFAOYSA-N -1 0 348.402 3.908 20 0 EHADRM COc1ccc(CCNc2nc(-c3cc(C(=O)[O-])co3)cs2)cc1 ZINC000737991369 599858596 /nfs/dbraw/zinc/85/85/96/599858596.db2.gz SNLVMCSKXVCSFR-UHFFFAOYSA-N -1 0 344.392 3.765 20 0 EHADRM C[C@H](OC(=O)CCCN(C)C(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000736685807 599871579 /nfs/dbraw/zinc/87/15/79/599871579.db2.gz RDQFBPCCYQEJCI-JTQLQIEISA-N -1 0 349.305 3.579 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)CCc1ccccc1 ZINC000676019123 599873291 /nfs/dbraw/zinc/87/32/91/599873291.db2.gz SKLGSUSYZMPABV-UHFFFAOYSA-N -1 0 339.416 3.849 20 0 EHADRM O=C([O-])c1coc(COC(=O)c2csc(-c3ccc(F)cc3)n2)c1 ZINC000740269630 599881699 /nfs/dbraw/zinc/88/16/99/599881699.db2.gz KNDRGFFGGLEZSV-UHFFFAOYSA-N -1 0 347.323 3.597 20 0 EHADRM CC(C)c1ccc2cc(C(=O)OCc3cc(C(=O)[O-])co3)[nH]c2c1 ZINC000736521656 599881715 /nfs/dbraw/zinc/88/17/15/599881715.db2.gz OTWFPPIRAFQWKI-UHFFFAOYSA-N -1 0 327.336 3.940 20 0 EHADRM O=C([O-])c1coc(COC(=O)c2ccc(Cl)c3cccnc23)c1 ZINC000740270635 599883467 /nfs/dbraw/zinc/88/34/67/599883467.db2.gz NTVAZWXBMNHWDX-UHFFFAOYSA-N -1 0 331.711 3.536 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)OCc1ccc(C(=O)[O-])o1 ZINC000736890439 599884940 /nfs/dbraw/zinc/88/49/40/599884940.db2.gz BDLANCLSOZFGQD-YKWSONSWSA-N -1 0 344.363 3.912 20 0 EHADRM CCc1[nH]c(C(=O)N(c2ccccc2C)C(C)C)c(C)c1C(=O)[O-] ZINC000737243176 599885700 /nfs/dbraw/zinc/88/57/00/599885700.db2.gz WHLRQMYDLAVFPQ-UHFFFAOYSA-N -1 0 328.412 3.947 20 0 EHADRM CCC[C@H]1CCCC[C@H]1NC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000736973743 599887344 /nfs/dbraw/zinc/88/73/44/599887344.db2.gz KJBNTEQMGPLYTL-XJKSGUPXSA-N -1 0 334.416 3.630 20 0 EHADRM CCOC(=O)c1c(C)csc1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000737147460 599893177 /nfs/dbraw/zinc/89/31/77/599893177.db2.gz DATJIDSSURFCAO-UHFFFAOYSA-N -1 0 348.380 3.575 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)c1cccc(OC2CCCC2)c1 ZINC000236757144 599894262 /nfs/dbraw/zinc/89/42/62/599894262.db2.gz KRCIBNUOVVWOEU-UHFFFAOYSA-N -1 0 333.428 3.581 20 0 EHADRM CCCCCc1nnc(NC(=O)c2cccc(NC(=O)[O-])c2)s1 ZINC000736991880 599894997 /nfs/dbraw/zinc/89/49/97/599894997.db2.gz RMGSXZBZHMFVMK-UHFFFAOYSA-N -1 0 334.401 3.613 20 0 EHADRM C[C@H](CN(C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)C1CC1)C(=O)[O-] ZINC000262201433 599897681 /nfs/dbraw/zinc/89/76/81/599897681.db2.gz WCIHUVVTEWZPTK-ZNZDAUKMSA-N -1 0 337.419 3.655 20 0 EHADRM Cc1ccc(C(C)(C)C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000738546430 599901704 /nfs/dbraw/zinc/90/17/04/599901704.db2.gz ANTAYCDSDMFIAJ-UHFFFAOYSA-N -1 0 333.334 3.888 20 0 EHADRM CC(C)[C@@H](CC(=O)N(CC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC000736352856 599906391 /nfs/dbraw/zinc/90/63/91/599906391.db2.gz KWZMGXIRXGYHAU-LJQANCHMSA-N -1 0 339.435 3.930 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000679396286 599908033 /nfs/dbraw/zinc/90/80/33/599908033.db2.gz FAHWQZKTKROTSW-UONOGXRCSA-N -1 0 343.345 3.578 20 0 EHADRM CC(C)[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000236671431 599910701 /nfs/dbraw/zinc/91/07/01/599910701.db2.gz HTXNRFZSUWXCGE-IEBWSBKVSA-N -1 0 325.408 3.758 20 0 EHADRM CN(CCCC(=O)OC(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000737433124 599911801 /nfs/dbraw/zinc/91/18/01/599911801.db2.gz NLBZRJZWDXDEKJ-UHFFFAOYSA-N -1 0 327.380 3.709 20 0 EHADRM CC(C)COC[C@H](NC(=O)c1cccc(NC(=O)[O-])c1)c1ccco1 ZINC000736445071 599911959 /nfs/dbraw/zinc/91/19/59/599911959.db2.gz AHJZOWMTALJGOX-HNNXBMFYSA-N -1 0 346.383 3.513 20 0 EHADRM C[C@H](CC(=O)N[C@H](CC(=O)[O-])c1ccccc1)c1ccccc1F ZINC000237398680 599912081 /nfs/dbraw/zinc/91/20/81/599912081.db2.gz CYOSSQMUNHQFQS-CXAGYDPISA-N -1 0 329.371 3.652 20 0 EHADRM C[C@H](CC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccccc1F ZINC000237498846 599912573 /nfs/dbraw/zinc/91/25/73/599912573.db2.gz SDZZIGZCTRLVEG-CYBMUJFWSA-N -1 0 329.371 3.676 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCC3)ccc1C(=O)[O-] ZINC000540670718 599915980 /nfs/dbraw/zinc/91/59/80/599915980.db2.gz QAVZXOLDIGJYKJ-CYBMUJFWSA-N -1 0 339.391 3.588 20 0 EHADRM Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(C(=O)[O-])c(C)c3)cc2)n1 ZINC000237690385 599917310 /nfs/dbraw/zinc/91/73/10/599917310.db2.gz FOUARGHIVKMMFR-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM Cc1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1C(=O)[O-] ZINC000323076115 599917961 /nfs/dbraw/zinc/91/79/61/599917961.db2.gz QBVKQMCFUZZLMO-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM Cc1cc(NC(=O)c2c3c(nc4ccccc42)CCC3)ccc1C(=O)[O-] ZINC000535589246 599918090 /nfs/dbraw/zinc/91/80/90/599918090.db2.gz GAUAYRCXTFGFFF-UHFFFAOYSA-N -1 0 346.386 3.982 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccc(OCc3cccnc3)cc2)c1 ZINC000740217287 599920061 /nfs/dbraw/zinc/92/00/61/599920061.db2.gz WWPSDFJPPHQOLJ-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM COc1cc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)ccc1C ZINC000362573758 599922318 /nfs/dbraw/zinc/92/23/18/599922318.db2.gz WWLYICGOIODDBP-UHFFFAOYSA-N -1 0 345.420 3.574 20 0 EHADRM Cc1noc(C(C)C)c1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000262397903 599922369 /nfs/dbraw/zinc/92/23/69/599922369.db2.gz LSBGJXUAWSLNGV-UHFFFAOYSA-N -1 0 348.424 3.677 20 0 EHADRM CCOc1ccccc1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000362557103 599922415 /nfs/dbraw/zinc/92/24/15/599922415.db2.gz XOYYRCVTPQGDTO-UHFFFAOYSA-N -1 0 345.420 3.655 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)Cc2ccccc2Cl)c1 ZINC000238072599 599922875 /nfs/dbraw/zinc/92/28/75/599922875.db2.gz IQHAMURMEPPTIZ-UHFFFAOYSA-N -1 0 349.839 3.839 20 0 EHADRM COc1ccccc1NC(=S)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000738137773 599927337 /nfs/dbraw/zinc/92/73/37/599927337.db2.gz SERPGXXQNWPFAP-CQSZACIVSA-N -1 0 344.436 3.588 20 0 EHADRM CCCn1c(SCCC(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000737050733 599928777 /nfs/dbraw/zinc/92/87/77/599928777.db2.gz NXOLHEONLQWFHI-UHFFFAOYSA-N -1 0 325.821 3.575 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N(Cc2ccco2)Cc2ccco2)c1 ZINC000740027154 599930018 /nfs/dbraw/zinc/93/00/18/599930018.db2.gz MNWSPXHYVJBUFV-UHFFFAOYSA-N -1 0 340.335 3.805 20 0 EHADRM Cc1ccc(C)c(CC(=O)N[C@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000194696080 599930786 /nfs/dbraw/zinc/93/07/86/599930786.db2.gz NSGDNNJEBSGJIR-GOSISDBHSA-N -1 0 325.408 3.568 20 0 EHADRM CCCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000362341759 599931667 /nfs/dbraw/zinc/93/16/67/599931667.db2.gz XIMNJYLLTPPQJP-SFHVURJKSA-N -1 0 325.408 3.975 20 0 EHADRM O=C([O-])c1sc2ccccc2c1COC(=O)CCc1ccco1 ZINC000739259802 599943882 /nfs/dbraw/zinc/94/38/82/599943882.db2.gz ZYOCBEPZLFOAEQ-UHFFFAOYSA-N -1 0 330.361 3.869 20 0 EHADRM O=C([O-])c1sc2ccccc2c1COC(=O)Cc1ccccc1O ZINC000739348548 599945690 /nfs/dbraw/zinc/94/56/90/599945690.db2.gz ARGSTAWKHCGLJT-UHFFFAOYSA-N -1 0 342.372 3.591 20 0 EHADRM CCC(C)(C)C(=O)OCc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000736860179 599946103 /nfs/dbraw/zinc/94/61/03/599946103.db2.gz VDAUQOFPWWDCAT-UHFFFAOYSA-N -1 0 333.409 3.988 20 0 EHADRM O=C([O-])c1coc(COC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)c1 ZINC000740268931 599953722 /nfs/dbraw/zinc/95/37/22/599953722.db2.gz XLIITPLQEXDQRW-QZTJIDSGSA-N -1 0 336.343 3.978 20 0 EHADRM O=C([O-])CSCCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000739848998 599960794 /nfs/dbraw/zinc/96/07/94/599960794.db2.gz HIMDJWWOQGVDSG-UHFFFAOYSA-N -1 0 341.738 3.505 20 0 EHADRM CCc1[nH]c(C(=O)Nc2cccc([C@H](C)OC)c2)c(C)c1C(=O)[O-] ZINC000737246907 599981401 /nfs/dbraw/zinc/98/14/01/599981401.db2.gz ZPBKWKMSEYGOCU-NSHDSACASA-N -1 0 330.384 3.543 20 0 EHADRM CC(C)(C)c1ccc(CCCCC(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC000178270995 599985111 /nfs/dbraw/zinc/98/51/11/599985111.db2.gz SFGBMWNRCWDQOU-INIZCTEOSA-N -1 0 331.456 3.630 20 0 EHADRM CC(C)(CNC(=O)Nc1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000736321906 599986773 /nfs/dbraw/zinc/98/67/73/599986773.db2.gz MIHIZYNINRAZSE-UHFFFAOYSA-N -1 0 330.359 3.623 20 0 EHADRM COc1ccccc1C(C)(C)NC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000738119493 599986779 /nfs/dbraw/zinc/98/67/79/599986779.db2.gz HAIPQHZTOBTWAB-UHFFFAOYSA-N -1 0 342.395 3.759 20 0 EHADRM C[C@@H](CC(=O)OCc1cn2cccc(C(=O)[O-])c2n1)CC(C)(C)C ZINC000736557431 599988339 /nfs/dbraw/zinc/98/83/39/599988339.db2.gz SOANHORFDBJPGV-LBPRGKRZSA-N -1 0 332.400 3.538 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)c1cccc(OCc2cccc(C)c2)c1 ZINC000236949196 599991227 /nfs/dbraw/zinc/99/12/27/599991227.db2.gz LVUXFIMHZHUFSD-UHFFFAOYSA-N -1 0 341.407 3.511 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)c1sc2cccc(C)c2c1Cl ZINC000678977419 599991243 /nfs/dbraw/zinc/99/12/43/599991243.db2.gz LQCBFRCSPLMEAA-UHFFFAOYSA-N -1 0 325.817 3.800 20 0 EHADRM O=C([O-])[C@@H](NCc1coc(-c2ccc(F)c(F)c2)n1)c1ccccc1 ZINC000739505554 599991403 /nfs/dbraw/zinc/99/14/03/599991403.db2.gz RMFKHAKIVCJQOZ-INIZCTEOSA-N -1 0 344.317 3.535 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)c(C(=O)[O-])c1 ZINC000542518614 599996667 /nfs/dbraw/zinc/99/66/67/599996667.db2.gz XKHWPKSHKVAAHF-RYUDHWBXSA-N -1 0 331.318 3.714 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)c(C(=O)[O-])c1 ZINC000542518612 599996709 /nfs/dbraw/zinc/99/67/09/599996709.db2.gz XKHWPKSHKVAAHF-NEPJUHHUSA-N -1 0 331.318 3.714 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)OCc2cccc(OC(F)F)c2)c1 ZINC000740040783 599997268 /nfs/dbraw/zinc/99/72/68/599997268.db2.gz XJUGNJJJYSPNQB-UHFFFAOYSA-N -1 0 337.278 3.735 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)OCc2coc(-c3cccs3)n2)c1 ZINC000740040276 599999346 /nfs/dbraw/zinc/99/93/46/599999346.db2.gz SZQHWKGCKAJDRG-UHFFFAOYSA-N -1 0 344.348 3.850 20 0 EHADRM CCc1ccc(C(=O)[C@H](C)OC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000737256133 600001025 /nfs/dbraw/zinc/00/10/25/600001025.db2.gz PLFQCCYGDSEVGO-LBPRGKRZSA-N -1 0 341.363 3.767 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)CCc2ccc(Cl)s2)c1 ZINC000737935854 600004078 /nfs/dbraw/zinc/00/40/78/600004078.db2.gz SOOBSOKIKMTTAE-UHFFFAOYSA-N -1 0 339.800 3.680 20 0 EHADRM CCC[C@@](C)(NC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000736954488 600008135 /nfs/dbraw/zinc/00/81/35/600008135.db2.gz LOHPKOCTXQQNPM-RFAUZJTJSA-N -1 0 348.226 3.520 20 0 EHADRM CC(C)COc1ccc(C(C)(C)CNc2ccc(C(=O)[O-])nn2)cc1 ZINC000736446450 600008509 /nfs/dbraw/zinc/00/85/09/600008509.db2.gz SBVAYSRFOPGXEG-UHFFFAOYSA-N -1 0 343.427 3.599 20 0 EHADRM CC(C)[C@H](Sc1ccccc1)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000362404653 600010807 /nfs/dbraw/zinc/01/08/07/600010807.db2.gz VFKVQWCMVGTWNU-KRWDZBQOSA-N -1 0 335.469 3.517 20 0 EHADRM CCN(CCc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000737101970 600011239 /nfs/dbraw/zinc/01/12/39/600011239.db2.gz NSXKFCNKZRZAFK-UHFFFAOYSA-N -1 0 326.396 3.790 20 0 EHADRM CC(C)Cc1ccc([C@H](C)NC(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000263129875 600011864 /nfs/dbraw/zinc/01/18/64/600011864.db2.gz YTZQFJYWWGTMHE-NNGSBXSVSA-N -1 0 346.471 3.889 20 0 EHADRM C[C@H](NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1cccc(Cl)c1 ZINC000326480202 600012028 /nfs/dbraw/zinc/01/20/28/600012028.db2.gz VPNZHUXOGQDPTA-NSHDSACASA-N -1 0 344.798 3.825 20 0 EHADRM C[C@@H](NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccccc1Cl ZINC000392479210 600012261 /nfs/dbraw/zinc/01/22/61/600012261.db2.gz IZTKXKZCPXJHOY-LLVKDONJSA-N -1 0 344.798 3.825 20 0 EHADRM O=C([O-])Cc1cccc(Oc2ncnc3sc4c(c32)CCCC4)c1 ZINC000739891863 600012303 /nfs/dbraw/zinc/01/23/03/600012303.db2.gz KFCQBJFYOFLPTB-UHFFFAOYSA-N -1 0 340.404 3.990 20 0 EHADRM CC[C@H](NC(=O)NC1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000263084323 600013680 /nfs/dbraw/zinc/01/36/80/600013680.db2.gz UYFMJKQKBWWYQJ-ZALBZXLWSA-N -1 0 338.835 3.734 20 0 EHADRM Cc1cc(NC(=O)NCc2ccccc2OC(C)C)ccc1C(=O)[O-] ZINC000738444795 600014070 /nfs/dbraw/zinc/01/40/70/600014070.db2.gz YEAMXKILFNGIJJ-UHFFFAOYSA-N -1 0 342.395 3.802 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)N[C@@H]1CC[C@H]3CCCC[C@@H]3C1)C2 ZINC000740201785 600014525 /nfs/dbraw/zinc/01/45/25/600014525.db2.gz AXECLULICFBXCL-HBUWYVDXSA-N -1 0 342.439 3.769 20 0 EHADRM Cc1ccc(OC[C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000738644075 600015136 /nfs/dbraw/zinc/01/51/36/600015136.db2.gz UNENAOPJNRTODY-CQSZACIVSA-N -1 0 342.395 3.591 20 0 EHADRM C[C@@H]1C[C@H](C)CN(C(=O)Nc2cccc(CSCC(=O)[O-])c2)C1 ZINC000736750280 600020897 /nfs/dbraw/zinc/02/08/97/600020897.db2.gz NVLPWLWFDNLVQV-BETUJISGSA-N -1 0 336.457 3.514 20 0 EHADRM C[C@H](NC(=O)Nc1cccc(CSCC(=O)[O-])c1)c1ccccc1 ZINC000736648596 600020950 /nfs/dbraw/zinc/02/09/50/600020950.db2.gz GRBQSJOQFPDOII-ZDUSSCGKSA-N -1 0 344.436 3.887 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)NCCC2CCCC2)c1 ZINC000739870487 600021067 /nfs/dbraw/zinc/02/10/67/600021067.db2.gz GGRMMCQNMDUCRC-UHFFFAOYSA-N -1 0 336.457 3.706 20 0 EHADRM COc1ccccc1C/C(C)=C\C(=O)Nc1ccsc1C(=O)[O-] ZINC000738123783 600035799 /nfs/dbraw/zinc/03/57/99/600035799.db2.gz ILTFTAXPKRQPRO-KHPPLWFESA-N -1 0 331.393 3.582 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N(Cc2cccs2)C2CC2)cc1 ZINC000238057741 600037843 /nfs/dbraw/zinc/03/78/43/600037843.db2.gz IUFTWEYIXUETDP-UHFFFAOYSA-N -1 0 329.421 3.570 20 0 EHADRM CC(C)[C@@H](Sc1ccccc1)C(=O)OCc1cc(C(=O)[O-])co1 ZINC000736392730 600038840 /nfs/dbraw/zinc/03/88/40/600038840.db2.gz WPHTVKMWVGLWRZ-OAHLLOKOSA-N -1 0 334.393 3.838 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N[C@@H]2CCc3cc(Cl)ccc32)cc1 ZINC000238070570 600041443 /nfs/dbraw/zinc/04/14/43/600041443.db2.gz CBEOTLCWADQRDX-QGZVFWFLSA-N -1 0 343.810 3.775 20 0 EHADRM Cc1nc(C)c([C@@H](C)N(C)C(=O)CCc2ccc(C(=O)[O-])cc2)s1 ZINC000237402440 600044473 /nfs/dbraw/zinc/04/44/73/600044473.db2.gz MWSGLRZLHVGKDK-GFCCVEGCSA-N -1 0 346.452 3.610 20 0 EHADRM C[C@@H](CC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccccc1F ZINC000621556477 600044810 /nfs/dbraw/zinc/04/48/10/600044810.db2.gz LTEONDGENYJKKF-LBPRGKRZSA-N -1 0 327.355 3.560 20 0 EHADRM COc1ccccc1C/C(C)=C\C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000738126491 600059114 /nfs/dbraw/zinc/05/91/14/600059114.db2.gz WFJZDVOEPXJYEA-SEYXRHQNSA-N -1 0 341.363 3.880 20 0 EHADRM CC[C@H](C(=O)Nc1cc(C(=O)[O-])ccc1Cl)c1c(C)noc1C ZINC000736848124 600061414 /nfs/dbraw/zinc/06/14/14/600061414.db2.gz MMDGUBJEECPEML-NSHDSACASA-N -1 0 336.775 3.775 20 0 EHADRM Cc1c(NC(=O)c2cnc(-c3ccco3)s2)cccc1C(=O)[O-] ZINC000675966804 600061581 /nfs/dbraw/zinc/06/15/81/600061581.db2.gz ULPSXQHPGVPDAB-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM Cc1ccccc1-c1nc(C(=O)Nc2ncc(C(=O)[O-])s2)cs1 ZINC000738756995 600063497 /nfs/dbraw/zinc/06/34/97/600063497.db2.gz XNPXFWDACBACID-UHFFFAOYSA-N -1 0 345.405 3.526 20 0 EHADRM CC(C)Sc1ccc([C@@H](C)NC(=O)c2cccc(C(=O)[O-])n2)cc1 ZINC000362496988 600063534 /nfs/dbraw/zinc/06/35/34/600063534.db2.gz HSGVKAOLFVYSLQ-GFCCVEGCSA-N -1 0 344.436 3.771 20 0 EHADRM CCc1sc(C(=O)NC[C@@H](Cc2cccc(C)c2)C(=O)[O-])cc1C ZINC000237103234 600063691 /nfs/dbraw/zinc/06/36/91/600063691.db2.gz YVQKMHLOWVSCSI-OAHLLOKOSA-N -1 0 345.464 3.601 20 0 EHADRM CN(C)c1ccc(NC(=O)CCc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000737375423 600063782 /nfs/dbraw/zinc/06/37/82/600063782.db2.gz GZBNIKSJJVUBHD-UHFFFAOYSA-N -1 0 346.814 3.676 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000738121701 600066382 /nfs/dbraw/zinc/06/63/82/600066382.db2.gz SWYLJAPGSJULSO-PKNBQFBNSA-N -1 0 329.327 3.575 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)C2(C(F)(F)F)CC2)c1 ZINC000739754496 600067313 /nfs/dbraw/zinc/06/73/13/600067313.db2.gz SUHPSXRGTCHHDC-UHFFFAOYSA-N -1 0 347.358 3.676 20 0 EHADRM COc1ccc(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)cc1 ZINC000362557418 600067737 /nfs/dbraw/zinc/06/77/37/600067737.db2.gz ZEPSBARQBFMSNU-UHFFFAOYSA-N -1 0 345.420 3.655 20 0 EHADRM COc1ccccc1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000362555856 600067760 /nfs/dbraw/zinc/06/77/60/600067760.db2.gz NNKPQCLZTZHFDW-UHFFFAOYSA-N -1 0 345.420 3.655 20 0 EHADRM CC(C)c1sc(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])nc1-c1ccccc1 ZINC000736531292 600071730 /nfs/dbraw/zinc/07/17/30/600071730.db2.gz YKIAYXOWGPSDIL-NEPJUHHUSA-N -1 0 330.409 3.593 20 0 EHADRM CCc1nc(COc2cc(-c3ccccc3)sc2C(=O)[O-])no1 ZINC000737282429 600075989 /nfs/dbraw/zinc/07/59/89/600075989.db2.gz DYCLTVUPPVGTPY-UHFFFAOYSA-N -1 0 330.365 3.638 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)c2cc(Cl)c[nH]2)c1 ZINC000238213156 600076606 /nfs/dbraw/zinc/07/66/06/600076606.db2.gz HORINRHJDVOEIE-UHFFFAOYSA-N -1 0 338.816 3.628 20 0 EHADRM O=C([O-])c1sc(-c2ccccc2)cc1OCc1noc(C2CC2)n1 ZINC000740280347 600076632 /nfs/dbraw/zinc/07/66/32/600076632.db2.gz VSPXMFPQDBAUHK-UHFFFAOYSA-N -1 0 342.376 3.953 20 0 EHADRM COC(=O)c1ccc(Cl)cc1OCc1ccc(F)cc1C(=O)[O-] ZINC000737691043 600080574 /nfs/dbraw/zinc/08/05/74/600080574.db2.gz IGUWMTPKFKJNCS-UHFFFAOYSA-N -1 0 338.718 3.543 20 0 EHADRM CCc1cccc2c(CC(=O)O[C@H](C(=O)[O-])c3ccccc3)c[nH]c21 ZINC000737269513 600089346 /nfs/dbraw/zinc/08/93/46/600089346.db2.gz HDAGQSXVRWWLAF-IBGZPJMESA-N -1 0 337.375 3.642 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2ccc(-n3cccc3)cc2)ccc1F ZINC000740008534 600089615 /nfs/dbraw/zinc/08/96/15/600089615.db2.gz PPCYPSGHIDXULC-UHFFFAOYSA-N -1 0 339.326 3.959 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)Cc2c(F)cccc2Cl)ccc1F ZINC000740005202 600090408 /nfs/dbraw/zinc/09/04/08/600090408.db2.gz KESZNIZIYXFXBY-UHFFFAOYSA-N -1 0 340.713 3.889 20 0 EHADRM Cc1ccc(S[C@@H](C(=O)OCC(=O)[O-])c2ccccc2)c(C)c1 ZINC000738660726 600107976 /nfs/dbraw/zinc/10/79/76/600107976.db2.gz UNBFETIOVLRMOW-QGZVFWFLSA-N -1 0 330.405 3.765 20 0 EHADRM Cc1oc(CN(C)C(=O)NC(CC(C)C)CC(C)C)cc1C(=O)[O-] ZINC000738968257 600109253 /nfs/dbraw/zinc/10/92/53/600109253.db2.gz XIQGMBVLBQIIQA-UHFFFAOYSA-N -1 0 338.448 3.888 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccc(Cl)c(Cl)c1O)c1ccccc1 ZINC000740299707 600110065 /nfs/dbraw/zinc/11/00/65/600110065.db2.gz QLMXIAMWYMIORX-CYBMUJFWSA-N -1 0 341.146 3.682 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)c1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000736621858 600110393 /nfs/dbraw/zinc/11/03/93/600110393.db2.gz FJWPTWCKXZSGSH-NSHDSACASA-N -1 0 326.327 3.920 20 0 EHADRM C[C@H](Oc1ccc(F)c(F)c1)c1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000736703671 600111188 /nfs/dbraw/zinc/11/11/88/600111188.db2.gz WTXKUJCEFSYMRI-VIFPVBQESA-N -1 0 346.289 3.853 20 0 EHADRM CN(C)c1ccc([C@@H]2C[C@@H]2c2nc(-c3ccc(C(=O)[O-])cc3)no2)cc1 ZINC000737377322 600114575 /nfs/dbraw/zinc/11/45/75/600114575.db2.gz LGPJBETZDJZYFX-IRXDYDNUSA-N -1 0 349.390 3.772 20 0 EHADRM O=C([O-])c1ccc(-c2noc(-c3cnc(-c4ccco4)s3)n2)cc1 ZINC000740098580 600114722 /nfs/dbraw/zinc/11/47/22/600114722.db2.gz BDBBHISXMLEIEO-UHFFFAOYSA-N -1 0 339.332 3.818 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)Cc1cc2ccccc2o1 ZINC000739342288 600116060 /nfs/dbraw/zinc/11/60/60/600116060.db2.gz UIWXBJUQBBMNTA-UHFFFAOYSA-N -1 0 328.295 3.556 20 0 EHADRM COc1cccc([C@@H]2C[C@H]2C(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)c1 ZINC000738097763 600122261 /nfs/dbraw/zinc/12/22/61/600122261.db2.gz WRPSKVUTKUSNLJ-UYHISHBKSA-N -1 0 340.375 3.801 20 0 EHADRM Cc1cc(NC(=O)c2ccc(OCCC(C)C)cc2)c(C(=O)[O-])[nH]1 ZINC000738448798 600123388 /nfs/dbraw/zinc/12/33/88/600123388.db2.gz OOFKBBGIUVCNSC-UHFFFAOYSA-N -1 0 330.384 3.699 20 0 EHADRM CCc1ccc([C@H](C)C(=O)Oc2ccc(C(=O)[O-])cc2C(C)=O)cc1 ZINC000737257433 600126301 /nfs/dbraw/zinc/12/63/01/600126301.db2.gz OSSAXOXYKGLWPU-LBPRGKRZSA-N -1 0 340.375 3.859 20 0 EHADRM CC[C@](NC(=O)[C@@H](C)Cc1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC000736904466 600132615 /nfs/dbraw/zinc/13/26/15/600132615.db2.gz BGUMFWLZYPJMIY-VBKZILBWSA-N -1 0 343.398 3.511 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000237197984 600142520 /nfs/dbraw/zinc/14/25/20/600142520.db2.gz YNEHXFOJBQIBMI-CYBMUJFWSA-N -1 0 327.380 3.601 20 0 EHADRM O=C([O-])C1(NC(=O)c2sccc2SC(F)F)CCCCC1 ZINC000739373239 600144613 /nfs/dbraw/zinc/14/46/13/600144613.db2.gz HOADSZJZIOGLKK-UHFFFAOYSA-N -1 0 335.397 3.580 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(N(C)C)cc2)c(C(=O)[O-])c1 ZINC000738617629 600145195 /nfs/dbraw/zinc/14/51/95/600145195.db2.gz YMPYNPNLPNFNIT-HZPDHXFCSA-N -1 0 338.407 3.501 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cccc(C(F)F)c2)c(F)cc1F ZINC000739459894 600153969 /nfs/dbraw/zinc/15/39/69/600153969.db2.gz RXGKGSQPGGERQJ-UHFFFAOYSA-N -1 0 327.233 3.853 20 0 EHADRM CCC[C@](C)(NCc1nc(-c2ccc(C(C)C)cc2)no1)C(=O)[O-] ZINC000736959972 600154078 /nfs/dbraw/zinc/15/40/78/600154078.db2.gz SREDDICBUKKMDG-SFHVURJKSA-N -1 0 331.416 3.593 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)C(C)(C)c2ccc(C)cc2)C(=O)[O-])cc1 ZINC000486403554 600158911 /nfs/dbraw/zinc/15/89/11/600158911.db2.gz HHQJQSXNFVPVCR-GOSISDBHSA-N -1 0 339.435 3.566 20 0 EHADRM Cc1cc(C(=O)NC[C@H](C(=O)[O-])c2ccc(C)cc2)c(C)n1C(C)C ZINC000362815270 600164821 /nfs/dbraw/zinc/16/48/21/600164821.db2.gz UKRWUUFNFCNSRZ-SFHVURJKSA-N -1 0 342.439 3.592 20 0 EHADRM O=C([O-])c1ccoc1CSc1ccccc1C(=O)NC1CCC1 ZINC000262128562 600166412 /nfs/dbraw/zinc/16/64/12/600166412.db2.gz MDRVGKCOKQVRMT-UHFFFAOYSA-N -1 0 331.393 3.552 20 0 EHADRM Cc1ccc([C@H](CNc2ncnc3c4ccccc4oc32)C(=O)[O-])cc1 ZINC000738568120 600167346 /nfs/dbraw/zinc/16/73/46/600167346.db2.gz HODDFMSNAZELQP-HNNXBMFYSA-N -1 0 347.374 3.965 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2csc(-c3cccs3)n2)c(F)c1 ZINC000320879956 600167681 /nfs/dbraw/zinc/16/76/81/600167681.db2.gz LMOPRFBXIQYPDO-UHFFFAOYSA-N -1 0 348.380 3.961 20 0 EHADRM Cc1cc(C)cc([C@@H](C)NC(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000263312747 600171724 /nfs/dbraw/zinc/17/17/24/600171724.db2.gz YZZFAWZPDRCHIN-CQSZACIVSA-N -1 0 326.396 3.562 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CCCc2sccc2C1 ZINC000738534169 600172011 /nfs/dbraw/zinc/17/20/11/600172011.db2.gz WFWXCGQMBMHMDZ-UHFFFAOYSA-N -1 0 330.409 3.735 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)Nc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000738563320 600173346 /nfs/dbraw/zinc/17/33/46/600173346.db2.gz ZLXMKGGERTWUBS-OAHLLOKOSA-N -1 0 332.787 3.638 20 0 EHADRM Cc1nc(Oc2ccc(C(=O)[O-])cc2Cl)cc(-c2cccnc2)n1 ZINC000738864891 600178615 /nfs/dbraw/zinc/17/86/15/600178615.db2.gz JOPUPMWPBNZJPC-UHFFFAOYSA-N -1 0 341.754 3.991 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000736762522 600183486 /nfs/dbraw/zinc/18/34/86/600183486.db2.gz RGCNPUKDJWKBII-SWLSCSKDSA-N -1 0 342.370 3.934 20 0 EHADRM Cc1cccc(C)c1NC(=S)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000738689847 600188951 /nfs/dbraw/zinc/18/89/51/600188951.db2.gz SFKLDEJOKPWRBS-AWEZNQCLSA-N -1 0 326.421 3.689 20 0 EHADRM CCn1cc(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)c2ccccc21 ZINC000737298715 600193491 /nfs/dbraw/zinc/19/34/91/600193491.db2.gz BDIZFURYTSENJD-SFHVURJKSA-N -1 0 336.391 3.559 20 0 EHADRM C/C(=C\C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1)c1cccc(F)c1 ZINC000736120802 600195825 /nfs/dbraw/zinc/19/58/25/600195825.db2.gz LNGSYWNBUXEXBU-XLNAKTSKSA-N -1 0 345.345 3.700 20 0 EHADRM O=C([O-])c1cc(Oc2ccccc2)ccc1NC(=O)Cc1cccnc1 ZINC000739348713 600196462 /nfs/dbraw/zinc/19/64/62/600196462.db2.gz DANDGHHXYMSKAF-UHFFFAOYSA-N -1 0 348.358 3.753 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c(F)c1 ZINC000479560838 600198560 /nfs/dbraw/zinc/19/85/60/600198560.db2.gz ZVJMFOWQJIDMCE-WDEREUQCSA-N -1 0 335.281 3.544 20 0 EHADRM O=C([O-])c1ccc(Cl)cc1OC(=O)C[C@H]1OCCc2ccccc21 ZINC000739223930 600202718 /nfs/dbraw/zinc/20/27/18/600202718.db2.gz CDEDHTSEQVXCIU-OAHLLOKOSA-N -1 0 346.766 3.648 20 0 EHADRM C[C@H](OC(=O)C[C@@H]1OCCc2ccccc21)c1ccc(C(=O)[O-])cc1 ZINC000738227575 600203219 /nfs/dbraw/zinc/20/32/19/600203219.db2.gz DCBRVBWKSNUGSA-UGSOOPFHSA-N -1 0 340.375 3.693 20 0 EHADRM CN(C(=O)[O-])c1ccc(Nc2cnc3cc(F)c(F)cc3n2)cc1 ZINC000737337233 600205136 /nfs/dbraw/zinc/20/51/36/600205136.db2.gz VXGRDVAREDAUEK-UHFFFAOYSA-N -1 0 330.294 3.766 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H](c1ccccc1)c1cccc2ccccc21 ZINC000485747356 600207314 /nfs/dbraw/zinc/20/73/14/600207314.db2.gz GHMJQUXMXIWBDY-AQNXPRMDSA-N -1 0 345.398 3.766 20 0 EHADRM C[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1)c1cccc(F)c1 ZINC000262629930 600207630 /nfs/dbraw/zinc/20/76/30/600207630.db2.gz OCVUCSDSVVJHSL-PXAZEXFGSA-N -1 0 347.361 3.791 20 0 EHADRM CCc1[nH]c(C(=O)N2CCCC[C@@H]2c2ccco2)c(C)c1C(=O)[O-] ZINC000737243522 600210486 /nfs/dbraw/zinc/21/04/86/600210486.db2.gz YIOJMRZMANIBQY-CYBMUJFWSA-N -1 0 330.384 3.544 20 0 EHADRM CCOc1ccc(C(C)=O)cc1CN(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000737195232 600212007 /nfs/dbraw/zinc/21/20/07/600212007.db2.gz MKKYFSZZJIMFMJ-IBGZPJMESA-N -1 0 341.407 3.546 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)o1 ZINC000393051075 600216549 /nfs/dbraw/zinc/21/65/49/600216549.db2.gz LGUQNFIDNLTJAJ-DAXOMENPSA-N -1 0 339.391 3.551 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)/C=C/c2ccc(Cl)cc2)c2ccccc21 ZINC000390843811 600219691 /nfs/dbraw/zinc/21/96/91/600219691.db2.gz CIXAQSTVXWUXPC-JOZWUWCOSA-N -1 0 327.767 3.568 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)Nc2cc(C(=O)[O-])ccc2C)o1 ZINC000738582556 600232528 /nfs/dbraw/zinc/23/25/28/600232528.db2.gz KSVAAOYKPXAGCV-HNNXBMFYSA-N -1 0 328.368 3.964 20 0 EHADRM Cc1ccccc1NC(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000738777408 600235153 /nfs/dbraw/zinc/23/51/53/600235153.db2.gz GQHAQTDEZZJJKY-UHFFFAOYSA-N -1 0 328.368 3.883 20 0 EHADRM CC(C)(C)C1CCN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC000324242505 600239897 /nfs/dbraw/zinc/23/98/97/600239897.db2.gz BEGDCKWHWUOVKC-UHFFFAOYSA-N -1 0 340.370 3.953 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc(CCC(=O)[O-])cc2)o1 ZINC000738581130 600242309 /nfs/dbraw/zinc/24/23/09/600242309.db2.gz BTYQOWHSXOWNMY-MRXNPFEDSA-N -1 0 342.395 3.974 20 0 EHADRM Cc1c(Cl)cccc1NC(=S)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000738291341 600248333 /nfs/dbraw/zinc/24/83/33/600248333.db2.gz QNPDZMNQRNOGJO-NSHDSACASA-N -1 0 338.860 3.532 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N[C@@H](CC(=O)[O-])c3ccccc3)cc2c1C ZINC000237858213 600254344 /nfs/dbraw/zinc/25/43/44/600254344.db2.gz ZANHTJDXJOQRDL-KRWDZBQOSA-N -1 0 336.391 3.731 20 0 EHADRM Cc1cccc(C2(C(=O)NCCSCCC(=O)[O-])CCCCC2)c1 ZINC000738688305 600255036 /nfs/dbraw/zinc/25/50/36/600255036.db2.gz ZHVLUBVGAMRELX-UHFFFAOYSA-N -1 0 349.496 3.521 20 0 EHADRM CCO[C@H](C)c1nc(CN[C@@](CC)(C(=O)[O-])c2ccccc2)cs1 ZINC000737156726 600261657 /nfs/dbraw/zinc/26/16/57/600261657.db2.gz FXBKPHKETPZUCQ-FZKQIMNGSA-N -1 0 348.468 3.720 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(C(=O)[C@H]1C[C@@H]1c1ccc3ccccc3c1)CC2 ZINC000262040218 600264876 /nfs/dbraw/zinc/26/48/76/600264876.db2.gz AGFUJRFCEZDOOU-QYZOEREBSA-N -1 0 349.430 3.657 20 0 EHADRM O=C([O-])[C@H]1CC12CCN(C(=O)c1ccc(-c3ccccc3)cc1)CC2 ZINC000262462845 600270519 /nfs/dbraw/zinc/27/05/19/600270519.db2.gz QZVXEECDTIMRKD-GOSISDBHSA-N -1 0 335.403 3.681 20 0 EHADRM CC(C)(C)c1ccc(/C=C\C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000736298355 600273863 /nfs/dbraw/zinc/27/38/63/600273863.db2.gz QJOZIWWXJLROQP-SKHCZCESSA-N -1 0 341.451 3.711 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(C(=O)c1sc3ccccc3c1Cl)CC2 ZINC000378177566 600273962 /nfs/dbraw/zinc/27/39/62/600273962.db2.gz GTBAGERCPIZKGE-NSHDSACASA-N -1 0 349.839 3.882 20 0 EHADRM CC(C)(C)c1ccc(/C=C/C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000736298352 600274001 /nfs/dbraw/zinc/27/40/01/600274001.db2.gz QJOZIWWXJLROQP-RCMYXZNBSA-N -1 0 341.451 3.711 20 0 EHADRM O=C([O-])c1ccc2nc(SCc3cn4ccsc4n3)oc2c1 ZINC000740212644 600277871 /nfs/dbraw/zinc/27/78/71/600277871.db2.gz OEFVAOAPLRAYDO-UHFFFAOYSA-N -1 0 331.378 3.528 20 0 EHADRM CSc1ccc(C)c(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000177471155 600280038 /nfs/dbraw/zinc/28/00/38/600280038.db2.gz AXMDGSSWVOJUGX-HNNXBMFYSA-N -1 0 327.405 3.546 20 0 EHADRM CN(Cc1ccc(NC(=O)/C=C/c2cccc(F)c2)cc1)C(=O)[O-] ZINC000737479355 600281853 /nfs/dbraw/zinc/28/18/53/600281853.db2.gz XCPUZECEASZCFG-JXMROGBWSA-N -1 0 328.343 3.587 20 0 EHADRM Cc1cc([C@@H]2CCCN2C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)no1 ZINC000738377937 600287058 /nfs/dbraw/zinc/28/70/58/600287058.db2.gz BMJVYJFKFDKXRD-AWEZNQCLSA-N -1 0 349.774 3.704 20 0 EHADRM Cc1cc([C@H]2CCCN2C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)no1 ZINC000738377938 600287081 /nfs/dbraw/zinc/28/70/81/600287081.db2.gz BMJVYJFKFDKXRD-CQSZACIVSA-N -1 0 349.774 3.704 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)Cc2ccc3ccccc3c2)cc1 ZINC000739987574 600291931 /nfs/dbraw/zinc/29/19/31/600291931.db2.gz AHGNEPCUDIXHDN-UHFFFAOYSA-N -1 0 334.375 3.789 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)CCOc2ccc(Cl)cc2)cc1 ZINC000739987157 600293159 /nfs/dbraw/zinc/29/31/59/600293159.db2.gz VSSKGCACRNUNNU-UHFFFAOYSA-N -1 0 348.786 3.515 20 0 EHADRM O=C([O-])C1CCC(NC(=O)N2CCCCC[C@@H]2c2ccco2)CC1 ZINC000263490082 600294027 /nfs/dbraw/zinc/29/40/27/600294027.db2.gz QWBVSDMGLDYCGV-YMAMQOFZSA-N -1 0 334.416 3.550 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)/C=C/c2ccc(Cl)s2)cc1 ZINC000739987021 600295559 /nfs/dbraw/zinc/29/55/59/600295559.db2.gz SUKFQNKSEFOYQX-SOFGYWHQSA-N -1 0 336.800 3.821 20 0 EHADRM CCn1c(C)cc(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)c1C ZINC000737293422 600322154 /nfs/dbraw/zinc/32/21/54/600322154.db2.gz CICJJZGFGVCPSE-HNNXBMFYSA-N -1 0 335.787 3.761 20 0 EHADRM Cc1ccc(CCC(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000738589275 600322768 /nfs/dbraw/zinc/32/27/68/600322768.db2.gz LZQQTQQAKMLYNJ-KRWDZBQOSA-N -1 0 332.783 3.950 20 0 EHADRM CN(Cc1ccc(NCc2occc2Br)cc1)C(=O)[O-] ZINC000737485917 600329071 /nfs/dbraw/zinc/32/90/71/600329071.db2.gz LKTRUARNDMSTJR-UHFFFAOYSA-N -1 0 339.189 3.764 20 0 EHADRM Cc1ccc(-c2n[nH]cc2CNc2ccc(CN(C)C(=O)[O-])cc2)o1 ZINC000738493039 600329195 /nfs/dbraw/zinc/32/91/95/600329195.db2.gz MGBHSVYUFJXOFP-UHFFFAOYSA-N -1 0 340.383 3.700 20 0 EHADRM CN(Cc1ccc(NC(=O)Nc2cccc3[nH]ccc32)cc1)C(=O)[O-] ZINC000737480440 600338138 /nfs/dbraw/zinc/33/81/38/600338138.db2.gz OQQCZWZQVJNRBL-UHFFFAOYSA-N -1 0 338.367 3.922 20 0 EHADRM CCN(Cc1cccs1)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000737107466 600344994 /nfs/dbraw/zinc/34/49/94/600344994.db2.gz CMOQTXIEOCMRKE-UHFFFAOYSA-N -1 0 347.440 3.912 20 0 EHADRM CC(C)[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736395952 600348197 /nfs/dbraw/zinc/34/81/97/600348197.db2.gz SHGHIYDYFYYFDI-JKSUJKDBSA-N -1 0 333.432 3.791 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)C(C)C ZINC000738757645 600353777 /nfs/dbraw/zinc/35/37/77/600353777.db2.gz DCWLPECWSMTYGL-IRXDYDNUSA-N -1 0 344.455 3.588 20 0 EHADRM Cc1oc(-c2ccccc2F)nc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000738388382 600366412 /nfs/dbraw/zinc/36/64/12/600366412.db2.gz NOZFCTXZMCHUSO-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM Cc1cc(NC(=O)[C@H](C)Oc2ccccc2Cl)sc1C(=O)[O-] ZINC000314229472 600370315 /nfs/dbraw/zinc/37/03/15/600370315.db2.gz GHTQIZWOIJXYPS-VIFPVBQESA-N -1 0 339.800 3.814 20 0 EHADRM CCCc1c(C(=O)Nc2cc(C)c(C(=O)[O-])s2)[nH]c(C)c1C(C)=O ZINC000737043844 600370322 /nfs/dbraw/zinc/37/03/22/600370322.db2.gz OINBEVDPFUJVLD-UHFFFAOYSA-N -1 0 348.424 3.799 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCC3)sc1C(=O)[O-] ZINC000738417266 600373060 /nfs/dbraw/zinc/37/30/60/600373060.db2.gz IJLUWBKNFGVTEQ-LLVKDONJSA-N -1 0 345.420 3.649 20 0 EHADRM C[C@@H](C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)c1cccs1 ZINC000736217074 600373369 /nfs/dbraw/zinc/37/33/69/600373369.db2.gz UYHJIAFBDUTTCV-GFCCVEGCSA-N -1 0 344.436 3.789 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@H]1Cc2ccccc2S1)c1ccccc1 ZINC000736850193 600378743 /nfs/dbraw/zinc/37/87/43/600378743.db2.gz VANLXTMZUCHVMX-DOTOQJQBSA-N -1 0 341.432 3.600 20 0 EHADRM CC(C)c1nnc(S[C@H](C(=O)[O-])c2cccc(Cl)c2)n1C ZINC000736533532 600378801 /nfs/dbraw/zinc/37/88/01/600378801.db2.gz XYJXIEKMKUEWRL-NSHDSACASA-N -1 0 325.821 3.510 20 0 EHADRM Cc1cccc([C@@H]2CCCCCN2C(=S)NCCCC(=O)[O-])c1 ZINC000738687313 600380007 /nfs/dbraw/zinc/38/00/07/600380007.db2.gz IGUUDQUCSCJFDE-INIZCTEOSA-N -1 0 334.485 3.651 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)c1ccc(OC2CCCCC2)cc1)C(=O)[O-] ZINC000736872991 600380431 /nfs/dbraw/zinc/38/04/31/600380431.db2.gz NPIHPMSFWILNLD-CXAGYDPISA-N -1 0 333.428 3.627 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)CCc1ccc(Cl)cc1Cl ZINC000050195425 600380792 /nfs/dbraw/zinc/38/07/92/600380792.db2.gz UGOXMMBIKZZIGW-UHFFFAOYSA-N -1 0 332.227 3.686 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)/C=C/c2ccnc3ccccc23)cc1 ZINC000493151856 600381405 /nfs/dbraw/zinc/38/14/05/600381405.db2.gz KIZVINVLOOATCI-JXMROGBWSA-N -1 0 332.359 3.514 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000236579347 600381943 /nfs/dbraw/zinc/38/19/43/600381943.db2.gz MDZAXBBWNSXCJM-UHFFFAOYSA-N -1 0 327.380 3.852 20 0 EHADRM COc1ccc(C)cc1[C@@H](C)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000737975044 600382252 /nfs/dbraw/zinc/38/22/52/600382252.db2.gz CYYWJBQRXBHUCU-LLVKDONJSA-N -1 0 346.358 3.724 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OC(=O)C[C@@H]1CCOc2ccccc21 ZINC000739221556 600382769 /nfs/dbraw/zinc/38/27/69/600382769.db2.gz DUZJVVQSEGMSMH-NSHDSACASA-N -1 0 346.766 3.900 20 0 EHADRM O=C([O-])c1cc(NC(=O)NCc2cc3ccccc3o2)ccc1F ZINC000739435391 600384554 /nfs/dbraw/zinc/38/45/54/600384554.db2.gz ASKNQJXKDYRHCJ-UHFFFAOYSA-N -1 0 328.299 3.592 20 0 EHADRM CC(C)Cc1ccc(C(=O)NCCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000736453291 600384997 /nfs/dbraw/zinc/38/49/97/600384997.db2.gz LNPKEBRADQQBND-UHFFFAOYSA-N -1 0 340.423 3.948 20 0 EHADRM C/C(=C\C(=O)NC(C)(C)CCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000736120993 600385038 /nfs/dbraw/zinc/38/50/38/600385038.db2.gz NQNMPXQDGIHNRP-ZHACJKMWSA-N -1 0 343.345 3.868 20 0 EHADRM Cc1ccc(CCC(=O)NCCc2ccc(NC(=O)[O-])cc2)c(C)c1 ZINC000738589318 600386268 /nfs/dbraw/zinc/38/62/68/600386268.db2.gz MTKVUWUEDFJEEW-UHFFFAOYSA-N -1 0 340.423 3.685 20 0 EHADRM Cc1ccccc1CC(C)(C)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000738770143 600391660 /nfs/dbraw/zinc/39/16/60/600391660.db2.gz VTGZYPYQCXLXDE-UHFFFAOYSA-N -1 0 344.386 3.975 20 0 EHADRM Cc1ccccc1[C@@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000738769460 600396608 /nfs/dbraw/zinc/39/66/08/600396608.db2.gz QECIQEZEMONVSO-CQSZACIVSA-N -1 0 342.370 3.854 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccc(F)cc1 ZINC000736321841 600402189 /nfs/dbraw/zinc/40/21/89/600402189.db2.gz KRVKRVQHXFYSLX-UHFFFAOYSA-N -1 0 348.349 3.762 20 0 EHADRM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000565101670 600403358 /nfs/dbraw/zinc/40/33/58/600403358.db2.gz SCMBVWYXYSSNLE-SJORKVTESA-N -1 0 349.789 3.678 20 0 EHADRM CCCCN(C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)C1CC1 ZINC000736992170 600404608 /nfs/dbraw/zinc/40/46/08/600404608.db2.gz YQWFQEWGIHQONG-UHFFFAOYSA-N -1 0 342.342 3.783 20 0 EHADRM Cc1ccc2[nH]c(C(=O)NCCc3ccc(NC(=O)[O-])cc3)cc2c1 ZINC000738668130 600411111 /nfs/dbraw/zinc/41/11/11/600411111.db2.gz ZGWUGVBXXRATKT-UHFFFAOYSA-N -1 0 337.379 3.539 20 0 EHADRM Cc1c[nH]cc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000262496437 600416311 /nfs/dbraw/zinc/41/63/11/600416311.db2.gz HFQMPMJCONWKKQ-INIZCTEOSA-N -1 0 328.412 3.566 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000236834579 600418250 /nfs/dbraw/zinc/41/82/50/600418250.db2.gz GIDKMAWKAULUGZ-GHMZBOCLSA-N -1 0 344.238 3.857 20 0 EHADRM COC(=O)[C@@H](Nc1ccc(N(C)C(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000737581545 600428792 /nfs/dbraw/zinc/42/87/92/600428792.db2.gz ZNMMVPQREOFXCI-HNNXBMFYSA-N -1 0 348.786 3.780 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c1 ZINC000740242951 600430220 /nfs/dbraw/zinc/43/02/20/600430220.db2.gz WZNVUZRKQIOMOG-UHFFFAOYSA-N -1 0 344.798 3.884 20 0 EHADRM Cc1c(C(=O)Nc2cc(C(=O)[O-])ccn2)sc2cccc(F)c12 ZINC000321821013 600434199 /nfs/dbraw/zinc/43/41/99/600434199.db2.gz DWGFOPHHWWZAIW-UHFFFAOYSA-N -1 0 330.340 3.694 20 0 EHADRM O=C([O-])c1cc(OCc2cc(F)cc3cccnc32)ccc1[N+](=O)[O-] ZINC000327649521 600444365 /nfs/dbraw/zinc/44/43/65/600444365.db2.gz VMVNVSBFOSRLDO-UHFFFAOYSA-N -1 0 342.282 3.559 20 0 EHADRM O=C([O-])[C@@H](OC(=O)/C=C\c1ccccc1Cl)c1ccc(F)cc1 ZINC000739215735 600444492 /nfs/dbraw/zinc/44/44/92/600444492.db2.gz LCFNBOQZEGMACF-BJIFSAINSA-N -1 0 334.730 3.861 20 0 EHADRM O=C([O-])[C@@H](OC(=O)/C=C/c1ccccc1Cl)c1ccc(F)cc1 ZINC000739215738 600444578 /nfs/dbraw/zinc/44/45/78/600444578.db2.gz LCFNBOQZEGMACF-JCVNQNCUSA-N -1 0 334.730 3.861 20 0 EHADRM Cc1c2ccccc2oc1[C@H](NC(=S)NCCCC(=O)[O-])C(C)C ZINC000738288816 600444974 /nfs/dbraw/zinc/44/49/74/600444974.db2.gz ICLMRTRKYGITEW-MRXNPFEDSA-N -1 0 348.468 3.767 20 0 EHADRM CC(C)COCCC(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000736446431 600450556 /nfs/dbraw/zinc/45/05/56/600450556.db2.gz RTKUVQZUHQQZGQ-UHFFFAOYSA-N -1 0 327.446 3.745 20 0 EHADRM CC(C)c1cccc(OCC(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000736521214 600450815 /nfs/dbraw/zinc/45/08/15/600450815.db2.gz MIOOJBWYXYRETP-SFHVURJKSA-N -1 0 346.354 3.697 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N(C)[C@@H]1CCc2ccccc2C1 ZINC000738527823 600451207 /nfs/dbraw/zinc/45/12/07/600451207.db2.gz FEHLYYUUQFDKDR-QGZVFWFLSA-N -1 0 338.407 3.714 20 0 EHADRM Cc1ccc2oc(C(=O)O[C@@H](C(=O)[O-])c3ccc(F)cc3)cc2c1 ZINC000738679829 600453106 /nfs/dbraw/zinc/45/31/06/600453106.db2.gz BODMWSBLZFLCRA-MRXNPFEDSA-N -1 0 328.295 3.863 20 0 EHADRM CN(C(=O)Nc1cc(C(=O)[O-])ccc1F)[C@H]1CCc2ccccc2C1 ZINC000737327889 600455672 /nfs/dbraw/zinc/45/56/72/600455672.db2.gz XDJLMLDTIYCFIL-HNNXBMFYSA-N -1 0 342.370 3.545 20 0 EHADRM C/C(=C\C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1)c1cccc(F)c1 ZINC000736120343 600456314 /nfs/dbraw/zinc/45/63/14/600456314.db2.gz GVCFZNXAJCSFHQ-KAMXEHQASA-N -1 0 332.302 3.737 20 0 EHADRM C[C@H](OC(=O)C[C@@H]1CCOc2ccccc21)c1ccc(C(=O)[O-])o1 ZINC000736684167 600457227 /nfs/dbraw/zinc/45/72/27/600457227.db2.gz LPXMETVIGPTRPK-RYUDHWBXSA-N -1 0 330.336 3.538 20 0 EHADRM O=C([O-])c1ccc(COC(=O)/C=C\c2ccnc3ccccc23)cc1 ZINC000739216069 600457959 /nfs/dbraw/zinc/45/79/59/600457959.db2.gz NIXSJPXJWPGODR-KTKRTIGZSA-N -1 0 333.343 3.690 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)Nc1nc2ccsc2s1)c1ccccc1 ZINC000738566750 600465792 /nfs/dbraw/zinc/46/57/92/600465792.db2.gz UDLQMLFCIKBNHP-LLVKDONJSA-N -1 0 347.421 3.695 20 0 EHADRM Cc1c2ccccc2oc1[C@H](NC(=O)NCCCC(=O)[O-])C(C)C ZINC000263235044 600468849 /nfs/dbraw/zinc/46/88/49/600468849.db2.gz MZSVDNYJERCSHQ-MRXNPFEDSA-N -1 0 332.400 3.602 20 0 EHADRM CCOc1ccccc1NC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000737217647 600471955 /nfs/dbraw/zinc/47/19/55/600471955.db2.gz GLNMQKNTASFMQE-UHFFFAOYSA-N -1 0 343.383 3.539 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)OCCCc2ccc(F)cc2)cc1 ZINC000739260710 600473283 /nfs/dbraw/zinc/47/32/83/600473283.db2.gz VWYFUDJZACHYRB-UHFFFAOYSA-N -1 0 330.355 3.633 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@@H]2CSc3ccccc32)cc1 ZINC000238043647 600475953 /nfs/dbraw/zinc/47/59/53/600475953.db2.gz RDJOCNSDYMBCTA-OAHLLOKOSA-N -1 0 327.405 3.532 20 0 EHADRM CC[C@@H](C)[C@H]1CCCCN1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000736880363 600476478 /nfs/dbraw/zinc/47/64/78/600476478.db2.gz OWNAQRRNQPSCOZ-CZUORRHYSA-N -1 0 334.416 3.583 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000736904690 600477285 /nfs/dbraw/zinc/47/72/85/600477285.db2.gz XKXQBORXXGFNMQ-SJLPKXTDSA-N -1 0 325.408 3.588 20 0 EHADRM Cc1cccc(C)c1OCC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000237646383 600477904 /nfs/dbraw/zinc/47/79/04/600477904.db2.gz LZWMGOXAUPRUAN-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1Cl ZINC000238186966 600478721 /nfs/dbraw/zinc/47/87/21/600478721.db2.gz CZJCTVFJDRRUNF-UHFFFAOYSA-N -1 0 342.738 3.946 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000736904392 600478934 /nfs/dbraw/zinc/47/89/34/600478934.db2.gz UHNBHTHOQWKMSV-YJBOKZPZSA-N -1 0 343.398 3.727 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1Cl ZINC000238176490 600479066 /nfs/dbraw/zinc/47/90/66/600479066.db2.gz NJFUJXFXWHOOIK-UONOGXRCSA-N -1 0 333.746 3.920 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC000261634507 600486080 /nfs/dbraw/zinc/48/60/80/600486080.db2.gz IBNQQKIMNMFFSX-NXEZZACHSA-N -1 0 345.226 3.561 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000736903715 600490232 /nfs/dbraw/zinc/49/02/32/600490232.db2.gz LJFHREQLGBAUHJ-HNNXBMFYSA-N -1 0 329.396 3.514 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)NCCOC2CCCCCC2)c1 ZINC000740043217 600506411 /nfs/dbraw/zinc/50/64/11/600506411.db2.gz QUBJABZMFVWVTD-UHFFFAOYSA-N -1 0 335.404 3.637 20 0 EHADRM Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)OC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000738493011 600511918 /nfs/dbraw/zinc/51/19/18/600511918.db2.gz KVAIUNQLPHACBY-YUTCNCBUSA-N -1 0 345.420 3.752 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCc2cc3ccccc3[nH]2)cc1Cl ZINC000739436026 600513918 /nfs/dbraw/zinc/51/39/18/600513918.db2.gz MSWXAXYLOAWRPM-UHFFFAOYSA-N -1 0 343.770 3.841 20 0 EHADRM CCOc1ncc(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)cc1Cl ZINC000737219990 600520380 /nfs/dbraw/zinc/52/03/80/600520380.db2.gz GSQZSJRUDFWYIF-JTQLQIEISA-N -1 0 349.770 3.750 20 0 EHADRM CN(C(=O)Cc1c[nH]c2ccc(Cl)cc12)c1ccccc1C(=O)[O-] ZINC000737326391 600521829 /nfs/dbraw/zinc/52/18/29/600521829.db2.gz YIQMTATUIJVWGV-UHFFFAOYSA-N -1 0 342.782 3.725 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000236704873 600522309 /nfs/dbraw/zinc/52/23/09/600522309.db2.gz VJUFKQTYNAEKHK-IBGZPJMESA-N -1 0 339.435 3.558 20 0 EHADRM CCCC[C@H](Nc1cccc(NC(=O)[O-])c1)C(=O)Nc1cc(C)on1 ZINC000736980749 600522483 /nfs/dbraw/zinc/52/24/83/600522483.db2.gz BXDSFCYTZNADLB-AWEZNQCLSA-N -1 0 346.387 3.682 20 0 EHADRM Cc1cccc([C@@H](C)C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])c1 ZINC000237486834 600525927 /nfs/dbraw/zinc/52/59/27/600525927.db2.gz XVIRCTBNXXHKNC-DLBZAZTESA-N -1 0 339.435 3.848 20 0 EHADRM Cc1ccc(NC(=O)NCc2ccc(OCCCC(=O)[O-])cc2)cc1 ZINC000738627050 600526158 /nfs/dbraw/zinc/52/61/58/600526158.db2.gz HRQMEOCCAQCTHS-UHFFFAOYSA-N -1 0 342.395 3.560 20 0 EHADRM CCN(C(=O)Cc1ccc(-n2cccc2)cc1)c1ccccc1C(=O)[O-] ZINC000737059355 600532456 /nfs/dbraw/zinc/53/24/56/600532456.db2.gz AEKCFAQKLKHCON-UHFFFAOYSA-N -1 0 348.402 3.771 20 0 EHADRM C[C@@H]1CCC[C@H](OCC(=O)Nc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000736773918 600533083 /nfs/dbraw/zinc/53/30/83/600533083.db2.gz CSTGDVQLYYEXHA-PWSUYJOCSA-N -1 0 325.792 3.572 20 0 EHADRM C[C@H](CC(=O)N[C@H](C(=O)[O-])C(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC000675986490 600533459 /nfs/dbraw/zinc/53/34/59/600533459.db2.gz JNDCOUSSAFYGOM-QMTHXVAHSA-N -1 0 345.361 3.815 20 0 EHADRM CC(C)(C)[C@H](NC(=O)CCc1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000675985692 600534318 /nfs/dbraw/zinc/53/43/18/600534318.db2.gz JAWJWBWNZOADKB-GOSISDBHSA-N -1 0 347.455 3.556 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)CO[C@@H]1CCC[C@H](C)C1 ZINC000531748754 600534430 /nfs/dbraw/zinc/53/44/30/600534430.db2.gz AQFSPMHHEKFJRA-DZGCQCFKSA-N -1 0 349.427 3.706 20 0 EHADRM CC(C)(CCCc1ccccc1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000262076305 600534673 /nfs/dbraw/zinc/53/46/73/600534673.db2.gz KILKFACTOPXPMW-UHFFFAOYSA-N -1 0 331.456 3.795 20 0 EHADRM Cc1[nH]c(C(=O)Nc2cc(C3CCCCCC3)[nH]n2)c(C)c1C(=O)[O-] ZINC000738243251 600540114 /nfs/dbraw/zinc/54/01/14/600540114.db2.gz NVFGASFFXJDDMH-UHFFFAOYSA-N -1 0 344.415 3.743 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)Nc2ccccc2OC2CCCC2)o1 ZINC000739439369 600542566 /nfs/dbraw/zinc/54/25/66/600542566.db2.gz WVCHJRJVXNBJNS-UHFFFAOYSA-N -1 0 344.367 3.621 20 0 EHADRM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Oc1cccc(C(=O)[O-])c1 ZINC000736703182 600550751 /nfs/dbraw/zinc/55/07/51/600550751.db2.gz OUXNRMNNUXDJKL-SECBINFHSA-N -1 0 338.718 3.550 20 0 EHADRM Cc1sc(NC(=O)CO[C@H]2CCCC[C@H]2C)c(C(=O)[O-])c1C ZINC000738997608 600551491 /nfs/dbraw/zinc/55/14/91/600551491.db2.gz QWRWFPOBEIGRCP-SKDRFNHKSA-N -1 0 325.430 3.597 20 0 EHADRM CCC[C@@H](C)C(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC000736965641 600554456 /nfs/dbraw/zinc/55/44/56/600554456.db2.gz RSHRGVZRLDHGJZ-LLVKDONJSA-N -1 0 332.425 3.812 20 0 EHADRM O=C([O-])C1CCN(C(=O)Nc2ccc(-c3ccccc3)cc2F)CC1 ZINC000669495743 600556129 /nfs/dbraw/zinc/55/61/29/600556129.db2.gz KYMUWOHZCOFDGU-UHFFFAOYSA-N -1 0 342.370 3.821 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N(CCC(=O)[O-])C(C)C)c1 ZINC000236743310 600560341 /nfs/dbraw/zinc/56/03/41/600560341.db2.gz FBUWNLJNAKNKJH-OAHLLOKOSA-N -1 0 335.444 3.597 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)/C=C/c1ccc2ccc(Cl)cc2n1 ZINC000736461395 600560940 /nfs/dbraw/zinc/56/09/40/600560940.db2.gz UFVJGRNZGLQIHX-BQYQJAHWSA-N -1 0 346.814 3.613 20 0 EHADRM Cc1ccccc1[C@H](CC(C)C)NC(=O)N1CCC(C(=O)[O-])CC1 ZINC000263273535 600564756 /nfs/dbraw/zinc/56/47/56/600564756.db2.gz RWOFWOBVQYOUOQ-KRWDZBQOSA-N -1 0 332.444 3.588 20 0 EHADRM CCC1CCC(N(C)C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)CC1 ZINC000736939823 600567459 /nfs/dbraw/zinc/56/74/59/600567459.db2.gz HZYOXJIZNUZXRC-UHFFFAOYSA-N -1 0 344.415 3.694 20 0 EHADRM Cc1cc(NC(=O)N2CCCC[C@@H]2Cc2ccccc2)c(C(=O)[O-])[nH]1 ZINC000738437813 600568982 /nfs/dbraw/zinc/56/89/82/600568982.db2.gz RCUKEKJHMRAKQE-OAHLLOKOSA-N -1 0 341.411 3.650 20 0 EHADRM CN(CCCCc1ccccc1)C(=O)c1ccccc1NC(=O)[O-] ZINC000737438257 600571727 /nfs/dbraw/zinc/57/17/27/600571727.db2.gz ILIUSPSZNMDGBT-UHFFFAOYSA-N -1 0 326.396 3.871 20 0 EHADRM CN(C(=O)CCC1CC1)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000737317299 600572323 /nfs/dbraw/zinc/57/23/23/600572323.db2.gz GQOMUOWINAHKNY-CQSZACIVSA-N -1 0 330.211 3.768 20 0 EHADRM CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2NC(=O)[O-])c1 ZINC000736158992 600573109 /nfs/dbraw/zinc/57/31/09/600573109.db2.gz FDRWFONHNKWXCF-UHFFFAOYSA-N -1 0 347.758 3.641 20 0 EHADRM CC(=O)c1ccc(-c2ccc(C(=O)O[C@@H](CC(C)C)C(=O)[O-])o2)cc1 ZINC000736185541 600573908 /nfs/dbraw/zinc/57/39/08/600573908.db2.gz MEYPXKKPWYOZST-KRWDZBQOSA-N -1 0 344.363 3.805 20 0 EHADRM Cc1nc(-c2ccccc2)sc1C(=O)O[C@@H](CC(C)C)C(=O)[O-] ZINC000738832639 600574339 /nfs/dbraw/zinc/57/43/39/600574339.db2.gz SBDQHCNMUKHEPI-ZDUSSCGKSA-N -1 0 333.409 3.775 20 0 EHADRM Cc1nc(Cc2ccccc2)sc1C(=O)O[C@@H](CC(C)C)C(=O)[O-] ZINC000738859440 600575245 /nfs/dbraw/zinc/57/52/45/600575245.db2.gz UBXLTGPWNRQXLY-AWEZNQCLSA-N -1 0 347.436 3.698 20 0 EHADRM Cc1ccc2c(CCNC(=O)c3ccccc3NC(=O)[O-])c[nH]c2c1 ZINC000738666027 600575907 /nfs/dbraw/zinc/57/59/07/600575907.db2.gz QDKAAZOREWYKHJ-UHFFFAOYSA-N -1 0 337.379 3.539 20 0 EHADRM C[C@@H]1CCCC[C@H]1NC(=S)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000736783033 600582776 /nfs/dbraw/zinc/58/27/76/600582776.db2.gz FNOFTXJSCLVHSM-NOZJJQNGSA-N -1 0 326.849 3.903 20 0 EHADRM C[C@@H](CC(=O)[O-])S[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000736549349 600583597 /nfs/dbraw/zinc/58/35/97/600583597.db2.gz JTDPDJHSBIDSTR-KBXCAEBGSA-N -1 0 343.448 3.641 20 0 EHADRM O=C([O-])c1ccc(OC(=O)C2(c3ccccc3F)CC2)c(Cl)c1 ZINC000740160859 600583715 /nfs/dbraw/zinc/58/37/15/600583715.db2.gz LWTUOSDTQBBUFB-UHFFFAOYSA-N -1 0 334.730 3.815 20 0 EHADRM CC(C)[C@H](S[C@H](C)CC(=O)[O-])C(=O)Nc1ccccc1Cl ZINC000736550209 600585088 /nfs/dbraw/zinc/58/50/88/600585088.db2.gz MRJZNDPWUKZHAA-YGRLFVJLSA-N -1 0 329.849 3.900 20 0 EHADRM C[C@H](CC(=O)[O-])SC[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000736553531 600586908 /nfs/dbraw/zinc/58/69/08/600586908.db2.gz YQUUHNFQEDPVGB-KGLIPLIRSA-N -1 0 343.448 3.752 20 0 EHADRM Cc1cc(C(=O)N(C)C[C@H](C)C(=O)[O-])c(C)n1[C@@H](C)c1ccccc1 ZINC000237408783 600592896 /nfs/dbraw/zinc/59/28/96/600592896.db2.gz MAKGDWHHZCCHJY-ZFWWWQNUSA-N -1 0 342.439 3.507 20 0 EHADRM CN(C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737314749 600594359 /nfs/dbraw/zinc/59/43/59/600594359.db2.gz RSHRAHJRSMUKKR-BBWFWOEESA-N -1 0 343.810 3.728 20 0 EHADRM C[C@@H](S[C@@H](C)CC(=O)[O-])C(=O)Nc1cc(Cl)ccc1Cl ZINC000736553371 600595135 /nfs/dbraw/zinc/59/51/35/600595135.db2.gz SAQKBSGRYMDIPY-JGVFFNPUSA-N -1 0 336.240 3.917 20 0 EHADRM CC(C)OCc1ccc(C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000736485304 600596963 /nfs/dbraw/zinc/59/69/63/600596963.db2.gz YQBGUDIMMVXGNZ-GOSISDBHSA-N -1 0 341.407 3.510 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000736618073 600597805 /nfs/dbraw/zinc/59/78/05/600597805.db2.gz LWRHHWDSTWONNG-PBHICJAKSA-N -1 0 343.448 3.699 20 0 EHADRM C[C@@H](CS[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)C(=O)[O-] ZINC000736607015 600601097 /nfs/dbraw/zinc/60/10/97/600601097.db2.gz LKPBSBHFQZWLKP-BLLLJJGKSA-N -1 0 347.411 3.959 20 0 EHADRM C[C@H](CS[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)C(=O)[O-] ZINC000736607018 600601223 /nfs/dbraw/zinc/60/12/23/600601223.db2.gz LKPBSBHFQZWLKP-WBMJQRKESA-N -1 0 347.411 3.959 20 0 EHADRM CCC[C@H](C)C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000262710376 600602441 /nfs/dbraw/zinc/60/24/41/600602441.db2.gz FGHBJNXDCIEVDN-YOEHRIQHSA-N -1 0 327.424 3.636 20 0 EHADRM CC(C)(C)CC(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000236588497 600602536 /nfs/dbraw/zinc/60/25/36/600602536.db2.gz UTVBQXPGSHPKLD-KRWDZBQOSA-N -1 0 327.424 3.636 20 0 EHADRM Cc1ccc(SCCC(=O)N(CC(=O)[O-])c2ccccc2)cc1C ZINC000324515685 600603414 /nfs/dbraw/zinc/60/34/14/600603414.db2.gz VMLDJINTSGDTNQ-UHFFFAOYSA-N -1 0 343.448 3.903 20 0 EHADRM Cc1ccccc1C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000237680079 600604511 /nfs/dbraw/zinc/60/45/11/600604511.db2.gz FYGQMMQZVKRIKQ-IBGZPJMESA-N -1 0 347.414 3.822 20 0 EHADRM C[C@H](CSCC[S@@](=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000736614160 600605025 /nfs/dbraw/zinc/60/50/25/600605025.db2.gz SYUVBLKTXBITJA-LILOVNGRSA-N -1 0 341.281 3.555 20 0 EHADRM Cc1nn(Cc2ccccc2)c(Cl)c1CSC[C@@H](C)C(=O)[O-] ZINC000738928457 600605486 /nfs/dbraw/zinc/60/54/86/600605486.db2.gz TUXKHEPRYHCKDF-LLVKDONJSA-N -1 0 338.860 3.847 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1ccccc1)Cc1ccc2ccccc2c1 ZINC000486385422 600605694 /nfs/dbraw/zinc/60/56/94/600605694.db2.gz AQFISFKRYTWAGD-IBGZPJMESA-N -1 0 333.387 3.513 20 0 EHADRM CC[C@](NC(=O)C[C@@H]1CCc2ccccc21)(C(=O)[O-])c1ccccc1 ZINC000675981998 600609029 /nfs/dbraw/zinc/60/90/29/600609029.db2.gz HXMGSBPGANIHDX-HRAATJIYSA-N -1 0 337.419 3.613 20 0 EHADRM Cn1c(Cl)c(Cl)cc1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000147479722 600620245 /nfs/dbraw/zinc/62/02/45/600620245.db2.gz QIVKREDZYWLTFQ-UHFFFAOYSA-N -1 0 347.585 3.936 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ccc(Oc2ccnc3ccccc32)cc1 ZINC000191593524 600623886 /nfs/dbraw/zinc/62/38/86/600623886.db2.gz GOVCEIVZRNNNML-HZPDHXFCSA-N -1 0 348.358 3.686 20 0 EHADRM Cc1cc(NC(=O)NCC2(c3cccc(F)c3)CC2)ccc1C(=O)[O-] ZINC000738439468 600625857 /nfs/dbraw/zinc/62/58/57/600625857.db2.gz BZEQPOPTGXIJPW-UHFFFAOYSA-N -1 0 342.370 3.686 20 0 EHADRM C[C@@H]1CC(NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C[C@@H](C)C1 ZINC000736751236 600626452 /nfs/dbraw/zinc/62/64/52/600626452.db2.gz UWWQUHUOHRSXLC-STQMWFEESA-N -1 0 333.432 3.743 20 0 EHADRM Cc1cc(OCC(=O)Nc2ccc3ccccc3c2)c(C(=O)[O-])s1 ZINC000738472753 600638751 /nfs/dbraw/zinc/63/87/51/600638751.db2.gz AZXABGSPHIVROA-UHFFFAOYSA-N -1 0 341.388 3.925 20 0 EHADRM CCOc1ccc(C(C)=O)cc1COc1cc(C)sc1C(=O)[O-] ZINC000320614267 600639720 /nfs/dbraw/zinc/63/97/20/600639720.db2.gz VKUMOUQOQXVBHP-UHFFFAOYSA-N -1 0 334.393 3.935 20 0 EHADRM CC(C)(C)[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000678979288 600643616 /nfs/dbraw/zinc/64/36/16/600643616.db2.gz RAQRPXZAYDABCE-GVDBMIGSSA-N -1 0 325.408 3.559 20 0 EHADRM CCN(C(=O)CCCOc1ccc(F)cc1)c1ccccc1C(=O)[O-] ZINC000737053073 600646707 /nfs/dbraw/zinc/64/67/07/600646707.db2.gz PSTSKJRCPIQPLS-UHFFFAOYSA-N -1 0 345.370 3.736 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N(Cc2ccco2)Cc2ccccc2)C1 ZINC000183964117 600653769 /nfs/dbraw/zinc/65/37/69/600653769.db2.gz HJALWASFWVTBKB-DLBZAZTESA-N -1 0 341.407 3.699 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NCC2(c3ccc(F)cc3)CCCC2)C1 ZINC000179969013 600657385 /nfs/dbraw/zinc/65/73/85/600657385.db2.gz QAQLHNJDWGHVGU-CABCVRRESA-N -1 0 347.430 3.645 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000736357841 600657844 /nfs/dbraw/zinc/65/78/44/600657844.db2.gz BVDFPHPYNILAFQ-SFHVURJKSA-N -1 0 326.392 3.734 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000236734465 600661064 /nfs/dbraw/zinc/66/10/64/600661064.db2.gz SIJIPRJNYGAGLA-ROUUACIJSA-N -1 0 331.456 3.873 20 0 EHADRM CC(C)(C)OCc1cccc(CNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000179994048 600664948 /nfs/dbraw/zinc/66/49/48/600664948.db2.gz FKCCHLHIYMOJOJ-IAGOWNOFSA-N -1 0 347.455 3.509 20 0 EHADRM O=C([O-])C[C@@H]1CSCCN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000238191609 600665031 /nfs/dbraw/zinc/66/50/31/600665031.db2.gz LCDWKBIUPIMYSZ-QGZVFWFLSA-N -1 0 347.480 3.767 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2F)C1 ZINC000108657304 600665453 /nfs/dbraw/zinc/66/54/53/600665453.db2.gz FASYPPDPULIXOA-IUCAKERBSA-N -1 0 333.281 3.674 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000827581699 600666447 /nfs/dbraw/zinc/66/64/47/600666447.db2.gz PKUSSDHEUOBHOZ-WBMJQRKESA-N -1 0 348.395 3.923 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N[C@H]2C[C@@H]2c2c(F)cccc2Cl)c1 ZINC000739480361 600674945 /nfs/dbraw/zinc/67/49/45/600674945.db2.gz OTOSVSYRZAKMNE-FZMZJTMJSA-N -1 0 348.761 3.855 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)c1ccnc(Oc2ccccc2)c1 ZINC000739896044 600676052 /nfs/dbraw/zinc/67/60/52/600676052.db2.gz KNBIULYIPSQRDZ-UHFFFAOYSA-N -1 0 349.342 3.720 20 0 EHADRM O=C([O-])NCc1ccc(NCCCOc2cccc(Cl)c2)cc1 ZINC000740001052 600678073 /nfs/dbraw/zinc/67/80/73/600678073.db2.gz NWZLSICVSWQLJY-UHFFFAOYSA-N -1 0 334.803 3.989 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000739893230 600678099 /nfs/dbraw/zinc/67/80/99/600678099.db2.gz WMWYVXQBXCYUET-NEPJUHHUSA-N -1 0 330.302 3.588 20 0 EHADRM C[C@@H]1CCCN(c2cc(C(=O)[O-])nc3ccc(Br)cc32)C1 ZINC000736790233 600686663 /nfs/dbraw/zinc/68/66/63/600686663.db2.gz BMHSMTNPOQRCDN-SNVBAGLBSA-N -1 0 349.228 3.932 20 0 EHADRM O=C([O-])c1cc(NCC2CCC2)c2cc(Br)ccc2n1 ZINC000740087416 600687331 /nfs/dbraw/zinc/68/73/31/600687331.db2.gz BYUHVLYQMJLXDN-UHFFFAOYSA-N -1 0 335.201 3.908 20 0 EHADRM COc1cccc([C@H]2C[C@@H]2c2nc(-c3cccc(C(=O)[O-])c3)no2)c1 ZINC000832541117 600694269 /nfs/dbraw/zinc/69/42/69/600694269.db2.gz ZYZKGPHFNSVGOK-CVEARBPZSA-N -1 0 336.347 3.715 20 0 EHADRM Cn1cc(-c2cccc(-c3nc(-c4cccc(C(=O)[O-])c4)no3)c2)cn1 ZINC000833041883 600694337 /nfs/dbraw/zinc/69/43/37/600694337.db2.gz YQDGPNMBRMUQCU-UHFFFAOYSA-N -1 0 346.346 3.502 20 0 EHADRM O=C([O-])c1cccc(-c2noc([C@@H]3C[C@@H]3c3c(F)cccc3F)n2)c1 ZINC000833327533 600697243 /nfs/dbraw/zinc/69/72/43/600697243.db2.gz BDDJITXUOVTYTD-NWDGAFQWSA-N -1 0 342.301 3.984 20 0 EHADRM O=C([O-])c1cccc(-c2noc(Cc3c(F)cccc3Cl)n2)c1 ZINC000320386832 600697495 /nfs/dbraw/zinc/69/74/95/600697495.db2.gz SBQVXLDYYFQJRI-UHFFFAOYSA-N -1 0 332.718 3.818 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000740045685 600700709 /nfs/dbraw/zinc/70/07/09/600700709.db2.gz JKJVQYMKJPZMKZ-YGRLFVJLSA-N -1 0 348.761 3.855 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)cc1 ZINC000192889369 600706527 /nfs/dbraw/zinc/70/65/27/600706527.db2.gz KPBJDVUSSVKJIJ-GHTZIAJQSA-N -1 0 335.403 3.546 20 0 EHADRM CN(CC1CCC1)c1cc(C(=O)[O-])nc2ccc(Br)cc21 ZINC000737408774 600708068 /nfs/dbraw/zinc/70/80/68/600708068.db2.gz BITSYWUQSSQMKT-UHFFFAOYSA-N -1 0 349.228 3.932 20 0 EHADRM Cn1c(C(=O)O[C@@H](C(=O)[O-])c2ccccc2)ccc1-c1ccccc1 ZINC000833038841 600708778 /nfs/dbraw/zinc/70/87/78/600708778.db2.gz QWBNLEAVHXVOAC-GOSISDBHSA-N -1 0 335.359 3.675 20 0 EHADRM CCC[C@]1(C)CCCN(C(=O)NCCc2ccc(C(=O)[O-])cc2)C1 ZINC000829238045 600709192 /nfs/dbraw/zinc/70/91/92/600709192.db2.gz JXMMJMRNVHLBGO-LJQANCHMSA-N -1 0 332.444 3.539 20 0 EHADRM C[C@@H](OC(=O)[C@H]1SCCc2ccccc21)c1ccc(C(=O)[O-])o1 ZINC000827825933 600712499 /nfs/dbraw/zinc/71/24/99/600712499.db2.gz JMVMRGOYGXRRAX-BMIGLBTASA-N -1 0 332.377 3.613 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cccc(-c2cscn2)c1)c1ccccc1 ZINC000833349040 600723876 /nfs/dbraw/zinc/72/38/76/600723876.db2.gz AVDTWLAXQJQJCN-INIZCTEOSA-N -1 0 339.372 3.793 20 0 EHADRM CSc1ccc(COC(=O)c2ccc(NC(=O)[O-])c(O)c2)cc1 ZINC000832777556 600731306 /nfs/dbraw/zinc/73/13/06/600731306.db2.gz RWGHJYWUXKFURC-UHFFFAOYSA-N -1 0 333.365 3.561 20 0 EHADRM CN(C(=O)[O-])c1ccccc1C(=O)OCCOC1CCCCCC1 ZINC000737336788 600731708 /nfs/dbraw/zinc/73/17/08/600731708.db2.gz UERSZSIRHXBXRU-UHFFFAOYSA-N -1 0 335.400 3.697 20 0 EHADRM O=C([O-])[C@H](N[C@H](c1ccco1)c1ccccc1)c1ccccc1F ZINC000833167226 600735004 /nfs/dbraw/zinc/73/50/04/600735004.db2.gz KXWYNKMVCVMUBU-ZWKOTPCHSA-N -1 0 325.339 3.924 20 0 EHADRM Cc1cc(C)cc(CCNC(=O)Nc2cccc(NC(=O)[O-])c2)c1 ZINC000738363496 600744192 /nfs/dbraw/zinc/74/41/92/600744192.db2.gz IUQVVUXNCADVIA-UHFFFAOYSA-N -1 0 327.384 3.758 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)NC2CCC(C(=O)[O-])CC2)C1 ZINC000263471214 600747458 /nfs/dbraw/zinc/74/74/58/600747458.db2.gz LJLJOIQMEDXFGR-VWLISTAJSA-N -1 0 348.418 3.562 20 0 EHADRM CC[C@@H](NC(=O)N1CCC(CC(=O)[O-])CC1)C(C)(C)c1ccccc1 ZINC000828943031 600753347 /nfs/dbraw/zinc/75/33/47/600753347.db2.gz CYHLYHYPCVIUKR-QGZVFWFLSA-N -1 0 346.471 3.639 20 0 EHADRM CCc1nc(C)c([C@H](C)OC(=O)c2ccc(C(=O)[O-])s2)s1 ZINC000737282123 600757106 /nfs/dbraw/zinc/75/71/06/600757106.db2.gz VJKHOOQPUWAICV-QMMMGPOBSA-N -1 0 325.411 3.692 20 0 EHADRM CCCn1ccc2ccc(NC(=O)[C@H](CC(C)C)NC(=O)[O-])cc21 ZINC000829585266 600765416 /nfs/dbraw/zinc/76/54/16/600765416.db2.gz JUJSCAJPNHFNFD-HNNXBMFYSA-N -1 0 331.416 3.672 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000537404420 600784354 /nfs/dbraw/zinc/78/43/54/600784354.db2.gz XISHVLXPXQISNP-UWJYYQICSA-N -1 0 335.403 3.926 20 0 EHADRM O=C([O-])c1ccc(Cl)cc1OCc1nnc(-c2cccc(F)c2)o1 ZINC000833317722 600802169 /nfs/dbraw/zinc/80/21/69/600802169.db2.gz CKPFNNFXRKTYID-UHFFFAOYSA-N -1 0 348.717 3.806 20 0 EHADRM O=C([O-])c1ccc(OCCOc2cccc(F)c2F)c(Cl)c1 ZINC000833322816 600803347 /nfs/dbraw/zinc/80/33/47/600803347.db2.gz UDCDFLHCZPIATA-UHFFFAOYSA-N -1 0 328.698 3.774 20 0 EHADRM Cc1cccc(CCC(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000776678764 600804354 /nfs/dbraw/zinc/80/43/54/600804354.db2.gz SBYQGHCZGOZELT-QGZVFWFLSA-N -1 0 345.826 3.913 20 0 EHADRM NC(=NOCc1ccc(Cl)cc1Cl)c1cccc(C(=O)[O-])c1 ZINC000833077836 600806110 /nfs/dbraw/zinc/80/61/10/600806110.db2.gz CVNZRKDADKLGFF-UHFFFAOYSA-N -1 0 339.178 3.738 20 0 EHADRM CN(C(=O)c1cc(Oc2ccccc2)ccn1)c1ccccc1C(=O)[O-] ZINC000830523683 600807377 /nfs/dbraw/zinc/80/73/77/600807377.db2.gz OVHFZINVEVMRJW-UHFFFAOYSA-N -1 0 348.358 3.849 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(F)c(F)c1)c1cccc(Cl)c1 ZINC000833200827 600808999 /nfs/dbraw/zinc/80/89/99/600808999.db2.gz XMRQQFGYKJCTSI-CQSZACIVSA-N -1 0 339.725 3.564 20 0 EHADRM C[C@@H](Sc1ncccc1C(=O)[O-])c1nc(Cc2ccccc2)no1 ZINC000736715379 600817488 /nfs/dbraw/zinc/81/74/88/600817488.db2.gz RTRYHZYSCUDBRX-LLVKDONJSA-N -1 0 341.392 3.607 20 0 EHADRM C[C@H](CC(=O)[O-])S[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000736550986 600818300 /nfs/dbraw/zinc/81/83/00/600818300.db2.gz IOLWWKBLSJVKMX-ZJUUUORDSA-N -1 0 340.832 3.971 20 0 EHADRM O=C([O-])c1cccn2cc(CSCCCc3ccccc3)nc12 ZINC000740240361 600818803 /nfs/dbraw/zinc/81/88/03/600818803.db2.gz JOJQACASKWVDJY-UHFFFAOYSA-N -1 0 326.421 3.899 20 0 EHADRM C[C@@H]1CCCC[C@H]1NC(=S)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000736783848 600819684 /nfs/dbraw/zinc/81/96/84/600819684.db2.gz HTINYVDJIZTMDS-VNHYZAJKSA-N -1 0 332.469 3.518 20 0 EHADRM CO[C@@H](CNc1nc(Cl)c(C(=O)[O-])s1)c1cccc(Cl)c1 ZINC000831526591 600826304 /nfs/dbraw/zinc/82/63/04/600826304.db2.gz JFZFFPPGIXGITA-VIFPVBQESA-N -1 0 347.223 3.948 20 0 EHADRM CC[C@H]1CN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C[C@@H](C)O1 ZINC000829151469 600828827 /nfs/dbraw/zinc/82/88/27/600828827.db2.gz RWMVUHROKYITED-WBMJQRKESA-N -1 0 346.452 3.508 20 0 EHADRM Cc1ccc(N(C)C(C)C)c(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC000738608790 600830195 /nfs/dbraw/zinc/83/01/95/600830195.db2.gz WGZBNTBPODRKNX-UHFFFAOYSA-N -1 0 344.386 3.929 20 0 EHADRM O=C([O-])[C@H](Sc1n[nH]c(-c2ccccc2)n1)c1ccccc1F ZINC000833169573 600834086 /nfs/dbraw/zinc/83/40/86/600834086.db2.gz KDLPLTXQKWNOLG-CYBMUJFWSA-N -1 0 329.356 3.529 20 0 EHADRM O=C([O-])c1ccc(OCCSc2nccn2C2CC2)c(Cl)c1 ZINC000833322887 600836847 /nfs/dbraw/zinc/83/68/47/600836847.db2.gz WNBHZPDNFNXDKF-UHFFFAOYSA-N -1 0 338.816 3.741 20 0 EHADRM COc1ccc(OCCS[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000832444247 600837618 /nfs/dbraw/zinc/83/76/18/600837618.db2.gz IWMVPWNTKHAKDM-MRXNPFEDSA-N -1 0 336.384 3.772 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)cc1 ZINC000238044901 600839664 /nfs/dbraw/zinc/83/96/64/600839664.db2.gz LFNHWBQBTPFPTO-GOEBONIOSA-N -1 0 345.345 3.724 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NC(c2cccs2)c2cccs2)C1 ZINC000180017170 600839817 /nfs/dbraw/zinc/83/98/17/600839817.db2.gz NGMRANOMHXZKKI-NWDGAFQWSA-N -1 0 349.477 3.906 20 0 EHADRM CC[C@H]1C[C@@H](C)CN1C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000829074607 600841579 /nfs/dbraw/zinc/84/15/79/600841579.db2.gz IHHFOUCHSHQVPG-OCCSQVGLSA-N -1 0 334.416 3.824 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000736622650 600846439 /nfs/dbraw/zinc/84/64/39/600846439.db2.gz SWLYHXBPMOURKR-ZFWWWQNUSA-N -1 0 341.382 3.609 20 0 EHADRM CC(C)c1nn(C)c2sc(C(=O)Nc3ccccc3C(=O)[O-])cc12 ZINC000681680094 600849103 /nfs/dbraw/zinc/84/91/03/600849103.db2.gz YTXWKTUWLOFWTQ-UHFFFAOYSA-N -1 0 343.408 3.709 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)c2cc3c(s2)CCCC3)c2ccccc21 ZINC000325208545 600851316 /nfs/dbraw/zinc/85/13/16/600851316.db2.gz JXSMTTGLSGNKLO-CYBMUJFWSA-N -1 0 341.432 3.846 20 0 EHADRM Cc1c2ccccc2oc1C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000327134102 600851807 /nfs/dbraw/zinc/85/18/07/600851807.db2.gz AIRLLNOLKXGMIJ-ZDUSSCGKSA-N -1 0 335.359 3.960 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)c2ccc(F)cc2Cl)c2ccccc21 ZINC000321153196 600852629 /nfs/dbraw/zinc/85/26/29/600852629.db2.gz MKGJIEXYXXVPIU-JTQLQIEISA-N -1 0 333.746 3.698 20 0 EHADRM O=C([O-])C1(NC(=O)c2cccc(-c3cscn3)c2)CCCCCC1 ZINC000833129215 600854968 /nfs/dbraw/zinc/85/49/68/600854968.db2.gz WRDHBMQFQXJCIF-UHFFFAOYSA-N -1 0 344.436 3.718 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000737257461 600855332 /nfs/dbraw/zinc/85/53/32/600855332.db2.gz OYRPWODSWYXODS-WMLDXEAASA-N -1 0 337.419 3.958 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)c2ccc3c(c2)CCCC3)c2ccccc21 ZINC000327273075 600863363 /nfs/dbraw/zinc/86/33/63/600863363.db2.gz ZKFUTNSDWVCIPT-QGZVFWFLSA-N -1 0 335.403 3.784 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NC1CCC(C)(C)CC1)C(=O)[O-] ZINC000237552521 600865554 /nfs/dbraw/zinc/86/55/54/600865554.db2.gz ZYIXVEIPBFWSDY-LBPRGKRZSA-N -1 0 335.469 3.950 20 0 EHADRM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000326615774 600870858 /nfs/dbraw/zinc/87/08/58/600870858.db2.gz LCPUIOUEMVDFCX-CVEARBPZSA-N -1 0 331.456 3.834 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H](C)c2ccc(C)o2)cc1 ZINC000832777498 600875633 /nfs/dbraw/zinc/87/56/33/600875633.db2.gz PIOGQCPYTMSORX-DOMZBBRYSA-N -1 0 347.436 3.746 20 0 EHADRM COc1ccc(NC(=O)c2ccc(OC3CCC3)cc2)c(C(=O)[O-])c1 ZINC000832407671 600875774 /nfs/dbraw/zinc/87/57/74/600875774.db2.gz JQLDGHLAALOOTA-UHFFFAOYSA-N -1 0 341.363 3.577 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C2(c3cccc(F)c3)CC2)cc1 ZINC000486301873 600880357 /nfs/dbraw/zinc/88/03/57/600880357.db2.gz VMVQJCGTOYMNRH-UHFFFAOYSA-N -1 0 341.382 3.858 20 0 EHADRM Cc1cccc(OCCC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000393209768 600882206 /nfs/dbraw/zinc/88/22/06/600882206.db2.gz IQFHSYITVPQAQD-UHFFFAOYSA-N -1 0 341.407 3.765 20 0 EHADRM Cc1ccc([C@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)o1 ZINC000832923033 600883046 /nfs/dbraw/zinc/88/30/46/600883046.db2.gz FYUXOWRQCMUGML-VIFPVBQESA-N -1 0 339.294 3.630 20 0 EHADRM CCO[C@H](C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1ccccc1 ZINC000262159513 600883488 /nfs/dbraw/zinc/88/34/88/600883488.db2.gz MUCREFFYXOISTP-KRWDZBQOSA-N -1 0 341.407 3.765 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000245760737 600883558 /nfs/dbraw/zinc/88/35/58/600883558.db2.gz VNGNEBGVZMLWSZ-SQWLQELKSA-N -1 0 335.831 3.895 20 0 EHADRM Cc1cc(C)cc(-c2ccc([C@H]3NC(=O)NC(C)=C3C(=O)[O-])cc2)c1 ZINC000736745813 600885714 /nfs/dbraw/zinc/88/57/14/600885714.db2.gz LHQGABHFMRKDIZ-GOSISDBHSA-N -1 0 336.391 3.683 20 0 EHADRM C/C(=C/C(=O)NCc1ccc(OCCCC(=O)[O-])cc1)C(C)(C)C ZINC000236653083 600885859 /nfs/dbraw/zinc/88/58/59/600885859.db2.gz JNISVFLHLISFGE-OWBHPGMISA-N -1 0 333.428 3.539 20 0 EHADRM CCOc1c(F)cccc1C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000830027327 600887894 /nfs/dbraw/zinc/88/78/94/600887894.db2.gz YCABRFLPSMHALT-UHFFFAOYSA-N -1 0 346.358 3.587 20 0 EHADRM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000180114870 600896074 /nfs/dbraw/zinc/89/60/74/600896074.db2.gz DHHMPILEANTAET-NWDGAFQWSA-N -1 0 344.238 3.843 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)CCCC2CCCC2)c1OC ZINC000262558156 600896201 /nfs/dbraw/zinc/89/62/01/600896201.db2.gz YTXUIJMLVRWYIN-UHFFFAOYSA-N -1 0 335.400 3.701 20 0 EHADRM COc1cc(C(=O)Nc2ccc(C(=O)[O-])s2)ccc1OCC(C)C ZINC000831877772 600899777 /nfs/dbraw/zinc/89/97/77/600899777.db2.gz MVRMYANQDNCRBX-UHFFFAOYSA-N -1 0 349.408 3.742 20 0 EHADRM O=C([O-])CNC(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1 ZINC000237928612 600900097 /nfs/dbraw/zinc/90/00/97/600900097.db2.gz GLBBNMGXRFICPG-UHFFFAOYSA-N -1 0 340.162 3.600 20 0 EHADRM CC(C)(CNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000263549985 600904843 /nfs/dbraw/zinc/90/48/43/600904843.db2.gz VXIPDPIGGAEIJR-CHWSQXEVSA-N -1 0 337.847 3.625 20 0 EHADRM Cc1[nH]c(C(=O)N2CCC[C@H]2c2cccc(C)c2C)c(C)c1C(=O)[O-] ZINC000738687711 600912629 /nfs/dbraw/zinc/91/26/29/600912629.db2.gz RJGLZUZJSORSEK-INIZCTEOSA-N -1 0 340.423 3.924 20 0 EHADRM CCOc1ccc(CN(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)C(C)C)cc1 ZINC000830070749 600915597 /nfs/dbraw/zinc/91/55/97/600915597.db2.gz GUSBEBSWCKUSAG-IRXDYDNUSA-N -1 0 347.455 3.713 20 0 EHADRM Cc1nc(-c2ccccc2)sc1C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000262457614 600917373 /nfs/dbraw/zinc/91/73/73/600917373.db2.gz HYFDRNOKCZNLJV-CQSZACIVSA-N -1 0 346.452 3.595 20 0 EHADRM CC(C)C[C@H](CNC(=O)C1(Sc2ccccc2)CCCC1)C(=O)[O-] ZINC000486304937 600919610 /nfs/dbraw/zinc/91/96/10/600919610.db2.gz OMAQFFBMFDNVFK-OAHLLOKOSA-N -1 0 349.496 3.955 20 0 EHADRM CC(C)CCOc1ccccc1CNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000498621456 600921109 /nfs/dbraw/zinc/92/11/09/600921109.db2.gz XGOCUNPSQXUFGV-CVEARBPZSA-N -1 0 347.455 3.619 20 0 EHADRM CCC(CC)(NC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000342531034 600922891 /nfs/dbraw/zinc/92/28/91/600922891.db2.gz SEFRAWZDWRDQBX-IAGOWNOFSA-N -1 0 325.408 3.703 20 0 EHADRM CC[C@]1(C)CCCN(C(=O)c2ccccc2S[C@@H](C)C(=O)[O-])C1 ZINC000192967002 600932385 /nfs/dbraw/zinc/93/23/85/600932385.db2.gz OHZZAORHWFQVDT-SCLBCKFNSA-N -1 0 335.469 3.904 20 0 EHADRM Cc1ccccc1C1CCN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000180000271 600935706 /nfs/dbraw/zinc/93/57/06/600935706.db2.gz DVAVICRBRQJQOX-SJORKVTESA-N -1 0 329.440 3.592 20 0 EHADRM Cc1ccccc1C1CCN(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000180000285 600935708 /nfs/dbraw/zinc/93/57/08/600935708.db2.gz DVAVICRBRQJQOX-IRXDYDNUSA-N -1 0 329.440 3.592 20 0 EHADRM CCC(CC)(C(=O)Oc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC000828776541 600938704 /nfs/dbraw/zinc/93/87/04/600938704.db2.gz NLYVUJGSLVSDLK-UHFFFAOYSA-N -1 0 326.392 3.977 20 0 EHADRM O=C([O-])c1cc(Oc2ccccc2)ccc1NC(=O)C1=CCCCO1 ZINC000833157194 600940920 /nfs/dbraw/zinc/94/09/20/600940920.db2.gz NNVKMWKXNFPXIG-UHFFFAOYSA-N -1 0 339.347 3.810 20 0 EHADRM Cc1ccccc1-c1csc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000832975389 600941889 /nfs/dbraw/zinc/94/18/89/600941889.db2.gz WISPUQVGMUFRSL-QWHCGFSZSA-N -1 0 344.436 3.948 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000647156716 600945915 /nfs/dbraw/zinc/94/59/15/600945915.db2.gz NXEYPIJEUPGRQS-ZNMIVQPWSA-N -1 0 335.831 3.547 20 0 EHADRM Cc1ccc(OC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)c(C(=O)[O-])c1 ZINC000832952756 600946355 /nfs/dbraw/zinc/94/63/55/600946355.db2.gz CHPPHDSAGBBMLR-RYUDHWBXSA-N -1 0 332.302 3.681 20 0 EHADRM CC[C@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(Cl)s1 ZINC000828921412 600952960 /nfs/dbraw/zinc/95/29/60/600952960.db2.gz BQLPCDFSBIBGDJ-MXWKQRLJSA-N -1 0 329.849 3.860 20 0 EHADRM Cc1nc(C2CCCC2)sc1C(=O)Oc1ccccc1CC(=O)[O-] ZINC000832996785 600960290 /nfs/dbraw/zinc/96/02/90/600960290.db2.gz FVRYHSKYEVOPFR-UHFFFAOYSA-N -1 0 345.420 3.955 20 0 EHADRM COc1cccc(CCCOC(=O)c2ccc(NC(=O)[O-])cc2)c1 ZINC000832549639 600961780 /nfs/dbraw/zinc/96/17/80/600961780.db2.gz PHKPGDLYTWKYOD-UHFFFAOYSA-N -1 0 329.352 3.575 20 0 EHADRM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)o1 ZINC000832929056 600962584 /nfs/dbraw/zinc/96/25/84/600962584.db2.gz JIKAISLSLTWYEF-QMTHXVAHSA-N -1 0 344.411 3.845 20 0 EHADRM COc1ccc(OC(=O)c2ccc(C(=O)[O-])s2)c2ccccc12 ZINC000832424654 600963471 /nfs/dbraw/zinc/96/34/71/600963471.db2.gz IKJAFBRWXBLOAB-UHFFFAOYSA-N -1 0 328.345 3.827 20 0 EHADRM O=C([O-])c1ccc(C(=O)Oc2ccc(OC(F)(F)F)cc2)s1 ZINC000833312687 600963841 /nfs/dbraw/zinc/96/38/41/600963841.db2.gz SZOAHLPMJKNYCK-UHFFFAOYSA-N -1 0 332.255 3.564 20 0 EHADRM Cc1ccc(-c2nnc(CN3C[C@@H](CC(=O)[O-])c4ccccc43)o2)cc1 ZINC000738490171 600965146 /nfs/dbraw/zinc/96/51/46/600965146.db2.gz JLVGECQJJXJYDB-OAHLLOKOSA-N -1 0 349.390 3.624 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(F)c(Br)c2)s1 ZINC000236481686 600965237 /nfs/dbraw/zinc/96/52/37/600965237.db2.gz OURJBIAKCLFGHR-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM O=C([O-])C[C@H]1CN(Cc2cnc(-c3ccccc3)nc2)c2ccccc21 ZINC000739654019 600967008 /nfs/dbraw/zinc/96/70/08/600967008.db2.gz QFCUKHPTUDUTPH-KRWDZBQOSA-N -1 0 345.402 3.722 20 0 EHADRM C[C@@H]1CC[C@H](CCC(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])O1 ZINC000828221849 600970205 /nfs/dbraw/zinc/97/02/05/600970205.db2.gz ZQUYBXLCGROGIE-MWLCHTKSSA-N -1 0 345.317 3.690 20 0 EHADRM CCOc1cccc(NC(=S)Nc2cccc(C(=O)[O-])c2C)c1 ZINC000830104224 600970469 /nfs/dbraw/zinc/97/04/69/600970469.db2.gz BRBNDECFSHFFSP-UHFFFAOYSA-N -1 0 330.409 3.901 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2cccc(CC(F)(F)F)c2)C1 ZINC000647162199 600975435 /nfs/dbraw/zinc/97/54/35/600975435.db2.gz IFQVDMRUYBOQAY-RYUDHWBXSA-N -1 0 329.318 3.621 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2cc(Cl)c(Cl)cn2)c1 ZINC000833287881 600978245 /nfs/dbraw/zinc/97/82/45/600978245.db2.gz CEDDYIAADIWFGU-UHFFFAOYSA-N -1 0 326.139 3.731 20 0 EHADRM O=C([O-])c1cccc(-c2nc(-c3ccc4c(c3)OCO4)cs2)c1 ZINC000071905954 600993155 /nfs/dbraw/zinc/99/31/55/600993155.db2.gz DTISGDPHUQWJEG-UHFFFAOYSA-N -1 0 325.345 3.904 20 0 EHADRM CC(C)c1ccccc1NC(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000392143808 600996179 /nfs/dbraw/zinc/99/61/79/600996179.db2.gz GJHWUAMHIPEARG-MRXNPFEDSA-N -1 0 326.396 3.800 20 0 EHADRM Cn1c(C(=O)Nc2ccc(C(=O)[O-])s2)ccc1-c1ccccc1 ZINC000739013015 600997512 /nfs/dbraw/zinc/99/75/12/600997512.db2.gz UBMNWFXZAQGTIA-UHFFFAOYSA-N -1 0 326.377 3.704 20 0 EHADRM Cc1ccc(CC[C@H](C)NC(=O)Nc2cc(C(=O)[O-])ccc2C)o1 ZINC000832930903 600997647 /nfs/dbraw/zinc/99/76/47/600997647.db2.gz SHLUCYQRFOJHRW-LBPRGKRZSA-N -1 0 330.384 3.737 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@H]2CCSc3ccccc32)c1 ZINC000740140835 601001040 /nfs/dbraw/zinc/00/10/40/601001040.db2.gz OYDWEIOVOQPLBK-LBPRGKRZSA-N -1 0 331.368 3.742 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cnc3ccsc3c2)ccc1Cl ZINC000683312734 601001535 /nfs/dbraw/zinc/00/15/35/601001535.db2.gz IHFZQPARXMHFIZ-UHFFFAOYSA-N -1 0 332.768 3.900 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1CCSc2ccccc21 ZINC000262333703 601003069 /nfs/dbraw/zinc/00/30/69/601003069.db2.gz FIPKHPYUOBASJB-UKMLZYKCSA-N -1 0 345.464 3.510 20 0 EHADRM Cc1ccc(-c2ocnc2C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000738494467 601010344 /nfs/dbraw/zinc/01/03/44/601010344.db2.gz LHSIEYTUFXIIDL-UHFFFAOYSA-N -1 0 348.358 3.504 20 0 EHADRM C[C@]1(c2ccccc2)C[C@H]1NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000828121399 601012424 /nfs/dbraw/zinc/01/24/24/601012424.db2.gz GJRKLGHSDZLNNK-CRAIPNDOSA-N -1 0 346.333 3.515 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)c(F)cc1F ZINC000833150301 601013016 /nfs/dbraw/zinc/01/30/16/601013016.db2.gz FZZVAWAPBKOHMU-OUAUKWLOSA-N -1 0 338.354 3.753 20 0 EHADRM O=C([O-])C[C@H]1CN(Cc2coc(-c3ccccc3)n2)c2ccccc21 ZINC000327148652 601014770 /nfs/dbraw/zinc/01/47/70/601014770.db2.gz FBSYBMJIGBRZOW-HNNXBMFYSA-N -1 0 334.375 3.920 20 0 EHADRM Cc1cccc(N(CC(=O)[O-])C(=O)c2ccc(SC(C)C)cc2)n1 ZINC000738724402 601017403 /nfs/dbraw/zinc/01/74/03/601017403.db2.gz ZKRSRHZTAINYGG-UHFFFAOYSA-N -1 0 344.436 3.622 20 0 EHADRM Cc1ccc(-c2nc(CN3CCSC[C@H]3CC(=O)[O-])cs2)cc1 ZINC000320932875 601019324 /nfs/dbraw/zinc/01/93/24/601019324.db2.gz IVKHMJSMCULBGF-OAHLLOKOSA-N -1 0 348.493 3.511 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1ccc(NC(=O)[O-])cc1)c1nc(C)cs1 ZINC000737775374 601021391 /nfs/dbraw/zinc/02/13/91/601021391.db2.gz UJEZTQZYXLJSCH-MRXNPFEDSA-N -1 0 348.428 3.988 20 0 EHADRM CC(C)Oc1ccc(C(=O)N(CCC(=O)[O-])c2cccc(F)c2)cc1 ZINC000736486290 601028409 /nfs/dbraw/zinc/02/84/09/601028409.db2.gz OYBMCMXAMFYRQP-UHFFFAOYSA-N -1 0 345.370 3.734 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccc(Br)c(F)c2)c1 ZINC000088085120 601031759 /nfs/dbraw/zinc/03/17/59/601031759.db2.gz AMCJMNGANURIPY-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM CC[C@@H](C)C[C@@H](C)NC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000828741132 601041587 /nfs/dbraw/zinc/04/15/87/601041587.db2.gz ZSMBFWZNYOZYKM-CHWSQXEVSA-N -1 0 338.473 3.951 20 0 EHADRM CN(Cc1ccc(NC(=O)N2CCC3(C2)CCCCC3)cc1)C(=O)[O-] ZINC000830836514 601052160 /nfs/dbraw/zinc/05/21/60/601052160.db2.gz XJSXTEYOVTXCFZ-UHFFFAOYSA-N -1 0 345.443 3.985 20 0 EHADRM C[C@@H](C(=O)Nc1ncc(C(=O)[O-])s1)c1ccc(Cl)c(Cl)c1 ZINC000826027220 601056445 /nfs/dbraw/zinc/05/64/45/601056445.db2.gz UYHPMHBEXPVABW-ZCFIWIBFSA-N -1 0 345.207 3.890 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000236834402 601060348 /nfs/dbraw/zinc/06/03/48/601060348.db2.gz JILUYWSCVIOXMD-CHWSQXEVSA-N -1 0 344.238 3.857 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccccc1O)c1ccc(Cl)cc1Cl ZINC000833351617 601063262 /nfs/dbraw/zinc/06/32/62/601063262.db2.gz SPSIUAHTCUVZSQ-CYBMUJFWSA-N -1 0 341.146 3.682 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1c(F)cccc1Cl)c1ccccc1F ZINC000833351183 601063298 /nfs/dbraw/zinc/06/32/98/601063298.db2.gz NWVSKNCFQQJCPN-CYBMUJFWSA-N -1 0 326.682 3.601 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2CCSc3ccccc32)cc1C(=O)[O-] ZINC000832941261 601063546 /nfs/dbraw/zinc/06/35/46/601063546.db2.gz IDMPTHSCUSUZOA-AWEZNQCLSA-N -1 0 327.405 3.911 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(Br)s2)cc1C(=O)[O-] ZINC000110987691 601063892 /nfs/dbraw/zinc/06/38/92/601063892.db2.gz LEXOQHLIAADOHP-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM CC[C@H](NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1ccncc1 ZINC000828952277 601068983 /nfs/dbraw/zinc/06/89/83/601068983.db2.gz WGPRQMOSJJMXGZ-AWEZNQCLSA-N -1 0 333.775 3.706 20 0 EHADRM CC(C)Sc1ccccc1C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000262529817 601079806 /nfs/dbraw/zinc/07/98/06/601079806.db2.gz SHRFVEFTGNUBCQ-INIZCTEOSA-N -1 0 343.448 3.785 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)c1cc2ccccc2[nH]1 ZINC000833179366 601079879 /nfs/dbraw/zinc/07/98/79/601079879.db2.gz NCADUMMZGWEKLK-YJBOKZPZSA-N -1 0 340.423 3.664 20 0 EHADRM Cc1ccc([C@H](C)C(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])o1 ZINC000832923024 601080806 /nfs/dbraw/zinc/08/08/06/601080806.db2.gz FRBFPVRNTZLIOY-NUEKZKHPSA-N -1 0 333.428 3.574 20 0 EHADRM Cc1ccc(CCC(=O)NCc2c3ccccc3sc2C(=O)[O-])o1 ZINC000676019105 601081838 /nfs/dbraw/zinc/08/18/38/601081838.db2.gz ROMYDIXDYXSTJQ-UHFFFAOYSA-N -1 0 343.404 3.750 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)c1ccc2n[nH]cc2c1 ZINC000238018456 601082370 /nfs/dbraw/zinc/08/23/70/601082370.db2.gz XTZXGAFCLGYTBB-UHFFFAOYSA-N -1 0 331.331 3.667 20 0 EHADRM C[C@H](C(=O)N1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-])c1ccccc1F ZINC000825977212 601084235 /nfs/dbraw/zinc/08/42/35/601084235.db2.gz ARZAXNGHFDDMTR-YEWWUXTCSA-N -1 0 347.430 3.811 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)CCc1cccs1 ZINC000621580885 601084952 /nfs/dbraw/zinc/08/49/52/601084952.db2.gz BVUROWCBEJABDA-HOCLYGCPSA-N -1 0 335.469 3.563 20 0 EHADRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)CCCc1cccs1 ZINC000833176216 601085678 /nfs/dbraw/zinc/08/56/78/601085678.db2.gz CAFFHNZGLNQABR-DOTOQJQBSA-N -1 0 349.496 3.953 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)c1ccc(C(=O)[O-])nc1 ZINC000607878660 601086822 /nfs/dbraw/zinc/08/68/22/601086822.db2.gz KHWMYAOODXFFIQ-QGZVFWFLSA-N -1 0 340.423 3.572 20 0 EHADRM Cc1cc(C(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])c(C)s1 ZINC000832860485 601089410 /nfs/dbraw/zinc/08/94/10/601089410.db2.gz CJNYDLKCONFRJK-HOCLYGCPSA-N -1 0 335.469 3.861 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1nccs1 ZINC000325294949 601089936 /nfs/dbraw/zinc/08/99/36/601089936.db2.gz TXFJMFHHWVUGLT-ZDUSSCGKSA-N -1 0 347.440 3.778 20 0 EHADRM Cc1ccc(C(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])cc1C ZINC000832912636 601091564 /nfs/dbraw/zinc/09/15/64/601091564.db2.gz WDQQJROFNATMAG-MSOLQXFVSA-N -1 0 329.440 3.799 20 0 EHADRM CN(Cc1ccsc1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000390975000 601094266 /nfs/dbraw/zinc/09/42/66/601094266.db2.gz SRSBGRRUZCNHCI-UHFFFAOYSA-N -1 0 332.425 3.774 20 0 EHADRM Cc1ccc(CCC(=O)O[C@H](C(=O)[O-])c2ccccc2F)c(C)c1 ZINC000832931026 601096077 /nfs/dbraw/zinc/09/60/77/601096077.db2.gz WRHSXQACKUNZBT-SFHVURJKSA-N -1 0 330.355 3.744 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NC[C@H]2Cc3ccccc32)cc1 ZINC000327119806 601096801 /nfs/dbraw/zinc/09/68/01/601096801.db2.gz DTWTZEZRTPAHSB-CQSZACIVSA-N -1 0 338.407 3.510 20 0 EHADRM C[C@H]1CCN(C(=O)c2cccc(C(=O)[O-])c2)[C@H]1c1cccc(F)c1 ZINC000237553342 601107823 /nfs/dbraw/zinc/10/78/23/601107823.db2.gz UPOMINLHSIHJDT-YVEFUNNKSA-N -1 0 327.355 3.747 20 0 EHADRM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccccc1NC(=O)[O-] ZINC000828148660 601108146 /nfs/dbraw/zinc/10/81/46/601108146.db2.gz CJNYMZIWGRCZSP-HOCLYGCPSA-N -1 0 338.407 3.870 20 0 EHADRM CCCOc1cccc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000829538039 601111885 /nfs/dbraw/zinc/11/18/85/601111885.db2.gz SDIZNMNOCBYOTM-MRXNPFEDSA-N -1 0 332.327 3.597 20 0 EHADRM CC(C)(CC(=O)O[C@@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000826541948 601122476 /nfs/dbraw/zinc/12/24/76/601122476.db2.gz BXKOQXROTXZFDZ-QGZVFWFLSA-N -1 0 330.355 3.863 20 0 EHADRM CCN(C(=O)c1cc2c(cc(C)cc2C)[nH]1)c1ncc(C(=O)[O-])s1 ZINC000737058716 601125272 /nfs/dbraw/zinc/12/52/72/601125272.db2.gz RHQAKTGNZUFIAG-UHFFFAOYSA-N -1 0 343.408 3.606 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC000183964831 601125833 /nfs/dbraw/zinc/12/58/33/601125833.db2.gz WRMJHLDLNQVMCF-DRZSPHRISA-N -1 0 343.345 3.774 20 0 EHADRM Cc1c(C(=O)N2CCCc3c(C(=O)[O-])cccc32)cnc2ccccc12 ZINC000832850556 601136200 /nfs/dbraw/zinc/13/62/00/601136200.db2.gz YAIIEXBQWXSZMV-UHFFFAOYSA-N -1 0 346.386 3.834 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC000828899768 601142954 /nfs/dbraw/zinc/14/29/54/601142954.db2.gz AKGWNQAQHJLXFC-OAHLLOKOSA-N -1 0 329.371 3.512 20 0 EHADRM CC[C@H](C)[C@H](C)N(C(=O)NCc1ccc(OC)c(C(=O)[O-])c1)C1CC1 ZINC000828706881 601148530 /nfs/dbraw/zinc/14/85/30/601148530.db2.gz BABAGMNRHQODOK-STQMWFEESA-N -1 0 348.443 3.502 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)c1cccc(C(F)(F)F)c1F ZINC000325426720 601150579 /nfs/dbraw/zinc/15/05/79/601150579.db2.gz XZNBIPODWIAVOG-UHFFFAOYSA-N -1 0 345.223 3.934 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)OCc2ccc(SC(F)F)cc2)C1 ZINC000833190195 601150886 /nfs/dbraw/zinc/15/08/86/601150886.db2.gz WJYLIDHFDTUEMI-RYUDHWBXSA-N -1 0 344.379 3.936 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)CCCc2ccc(C)s2)c1 ZINC000832178553 601155592 /nfs/dbraw/zinc/15/55/92/601155592.db2.gz HMZPQOMJLFHEJR-UHFFFAOYSA-N -1 0 333.409 3.725 20 0 EHADRM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000828310795 601161146 /nfs/dbraw/zinc/16/11/46/601161146.db2.gz OXTADSIDUXPWJP-PIGZYNQJSA-N -1 0 342.370 3.969 20 0 EHADRM CSc1ccc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000237311188 601161536 /nfs/dbraw/zinc/16/15/36/601161536.db2.gz UDEVVXRHBZBOJY-WBMJQRKESA-N -1 0 329.421 3.600 20 0 EHADRM CCn1cc(C(=O)NC2(CC(=O)[O-])CCCCC2)c2ccccc21 ZINC000540707189 601186810 /nfs/dbraw/zinc/18/68/10/601186810.db2.gz WZMJONGTLBVUOF-UHFFFAOYSA-N -1 0 328.412 3.569 20 0 EHADRM O=C([O-])c1ccoc1COC(=O)c1cc(Cl)ccc1OC(F)F ZINC000833353541 601189573 /nfs/dbraw/zinc/18/95/73/601189573.db2.gz OZPQAZJDOZFTDA-UHFFFAOYSA-N -1 0 346.669 3.590 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccc3nc(C4CC4)oc3c2)C1 ZINC000833185888 601194785 /nfs/dbraw/zinc/19/47/85/601194785.db2.gz JDYAIDNWBGWMGL-RYUDHWBXSA-N -1 0 328.368 3.535 20 0 EHADRM CCC1CCC(NC(=O)CCc2c[nH]c3ccccc23)(C(=O)[O-])CC1 ZINC000327297589 601274093 /nfs/dbraw/zinc/27/40/93/601274093.db2.gz PFUJRTDUGZFTIP-UHFFFAOYSA-N -1 0 342.439 3.640 20 0 EHADRM CCC1CCC(NC(=O)c2cnc(-c3ccco3)s2)(C(=O)[O-])CC1 ZINC000345996909 601274942 /nfs/dbraw/zinc/27/49/42/601274942.db2.gz PQOZNIAKTVUELF-UHFFFAOYSA-N -1 0 348.424 3.557 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000237006513 601276487 /nfs/dbraw/zinc/27/64/87/601276487.db2.gz QJKSXRKAYWTTCH-INIZCTEOSA-N -1 0 331.343 3.628 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000666362070 601277132 /nfs/dbraw/zinc/27/71/32/601277132.db2.gz JDPBAHCNYBAGHX-QGZVFWFLSA-N -1 0 327.380 3.798 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C/C=C/c1cccc(F)c1)c1cccs1 ZINC000238091597 601277966 /nfs/dbraw/zinc/27/79/66/601277966.db2.gz PMTWENZUVTULAK-JBQRSBCVSA-N -1 0 333.384 3.623 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C/C=C\c1ccc(F)cc1)c1ccc(F)cc1 ZINC000362441286 601278325 /nfs/dbraw/zinc/27/83/25/601278325.db2.gz QOZCYHMELJCJLP-YYZONTRBSA-N -1 0 345.345 3.700 20 0 EHADRM C[C@H](c1ccccc1)[C@@](C)(O)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000827942190 601288061 /nfs/dbraw/zinc/28/80/61/601288061.db2.gz QUTDWKDIQYJXOE-ADLMAVQZSA-N -1 0 347.798 3.531 20 0 EHADRM O=C([O-])c1cc(C(=O)Nc2ccc(OC3CCCCC3)cc2)ccn1 ZINC000833157600 601288330 /nfs/dbraw/zinc/28/83/30/601288330.db2.gz YYZCAHUYCGAFTD-UHFFFAOYSA-N -1 0 340.379 3.744 20 0 EHADRM Cc1c2ccccc2oc1C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000237765184 601295729 /nfs/dbraw/zinc/29/57/29/601295729.db2.gz GIDVBYBZBNJZDD-DYVFJYSZSA-N -1 0 337.375 3.933 20 0 EHADRM Cc1ccc(F)cc1NC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000832934653 601308869 /nfs/dbraw/zinc/30/88/69/601308869.db2.gz OMHPKTHYTBIJPJ-OAHLLOKOSA-N -1 0 334.322 3.611 20 0 EHADRM Cc1ccc(NC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)c(F)c1 ZINC000832948020 601309144 /nfs/dbraw/zinc/30/91/44/601309144.db2.gz YZCWOHPMOOZXDI-OAHLLOKOSA-N -1 0 334.322 3.611 20 0 EHADRM CSc1ccc(NC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000832781599 601309719 /nfs/dbraw/zinc/30/97/19/601309719.db2.gz YCGXRSOZHBPJIT-OAHLLOKOSA-N -1 0 348.399 3.885 20 0 EHADRM Cn1cc(NC(=O)CCc2ccc(Cl)c(Cl)c2)cc1C(=O)[O-] ZINC000833044792 601319481 /nfs/dbraw/zinc/31/94/81/601319481.db2.gz DRJGKIZKEMCVTC-UHFFFAOYSA-N -1 0 341.194 3.601 20 0 EHADRM Cc1[nH]c(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)c(C)c1C(=O)[O-] ZINC000832844194 601335912 /nfs/dbraw/zinc/33/59/12/601335912.db2.gz XQXOJKVMHSPXSR-HNNXBMFYSA-N -1 0 344.386 3.836 20 0 EHADRM CCc1cccc(CC)c1NC(=O)COc1ccccc1NC(=O)[O-] ZINC000830265693 601368815 /nfs/dbraw/zinc/36/88/15/601368815.db2.gz KNOHFRUOPVFQMV-UHFFFAOYSA-N -1 0 342.395 3.919 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)COc2ccccc2NC(=O)[O-])cc1C ZINC000832922114 601369110 /nfs/dbraw/zinc/36/91/10/601369110.db2.gz ZZQPXOUNKHXDIJ-AWEZNQCLSA-N -1 0 342.395 3.650 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1cccc(OC[C@@H]2CCCO2)c1 ZINC000830378894 601390142 /nfs/dbraw/zinc/39/01/42/601390142.db2.gz ARTVDTCPRAFHSH-INIZCTEOSA-N -1 0 345.395 3.710 20 0 EHADRM CCCOc1cccc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000236874136 601391626 /nfs/dbraw/zinc/39/16/26/601391626.db2.gz CPIAZFISZHJZDB-KBXCAEBGSA-N -1 0 341.407 3.667 20 0 EHADRM COc1ccc([C@H](C)CC(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000237237597 601392568 /nfs/dbraw/zinc/39/25/68/601392568.db2.gz VLHIAZVXPTUNFP-IUODEOHRSA-N -1 0 347.436 3.583 20 0 EHADRM Cc1cc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c(C)n1C(C)C ZINC000236709126 601394248 /nfs/dbraw/zinc/39/42/48/601394248.db2.gz KUDBRLXSENYJCJ-KSSFIOAISA-N -1 0 342.439 3.878 20 0 EHADRM C[C@@H](C(=O)N(CC(=O)[O-])Cc1ccccc1)c1ccc(Cl)s1 ZINC000190741396 601395910 /nfs/dbraw/zinc/39/59/10/601395910.db2.gz SHCLVVAKRJBOQL-LLVKDONJSA-N -1 0 337.828 3.618 20 0 EHADRM C[C@@H](C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1)c1ccc(Cl)s1 ZINC000761624319 601407101 /nfs/dbraw/zinc/40/71/01/601407101.db2.gz AWKPQSSEBVPLJZ-YGRLFVJLSA-N -1 0 337.828 3.789 20 0 EHADRM C[C@H](C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1)c1ccc(Cl)s1 ZINC000761624316 601407182 /nfs/dbraw/zinc/40/71/82/601407182.db2.gz AWKPQSSEBVPLJZ-HZMBPMFUSA-N -1 0 337.828 3.789 20 0 EHADRM CC[C@H](NC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)C(C)C ZINC000828951810 601413715 /nfs/dbraw/zinc/41/37/15/601413715.db2.gz SPLVSHWUUSIGTQ-KBPBESRZSA-N -1 0 326.824 3.590 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000576710464 601414564 /nfs/dbraw/zinc/41/45/64/601414564.db2.gz JUWSYUMCXASACO-SCLBCKFNSA-N -1 0 329.396 3.502 20 0 EHADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000391269815 601420178 /nfs/dbraw/zinc/42/01/78/601420178.db2.gz KLJMKNIRXNZVCF-GFCCVEGCSA-N -1 0 338.835 3.687 20 0 EHADRM C/C(=C/COC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000825758860 601425745 /nfs/dbraw/zinc/42/57/45/601425745.db2.gz RLYXPOLBJOOMEO-BRNRAETOSA-N -1 0 330.302 3.773 20 0 EHADRM CC[C@@H](CNC(=O)c1ccc(NC(=O)[O-])cc1)Oc1ccccc1C ZINC000828884712 601427441 /nfs/dbraw/zinc/42/74/41/601427441.db2.gz ZZRDCKYTRWCNMQ-INIZCTEOSA-N -1 0 342.395 3.672 20 0 EHADRM CC[C@@H](CNC(=O)c1cccc(NC(=O)[O-])c1)Oc1cccc(C)c1 ZINC000828883579 601427518 /nfs/dbraw/zinc/42/75/18/601427518.db2.gz HSYIGIBPPQAMQB-INIZCTEOSA-N -1 0 342.395 3.672 20 0 EHADRM C/C(=C/COC(=O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1)C(=O)[O-] ZINC000825774123 601428236 /nfs/dbraw/zinc/42/82/36/601428236.db2.gz BUAPEYQZTZSKGZ-WQLSENKSSA-N -1 0 349.383 3.530 20 0 EHADRM C[C@@H](CC(=O)NC1(CC(=O)[O-])CCC1)c1ccccc1C(F)(F)F ZINC000262505496 601436613 /nfs/dbraw/zinc/43/66/13/601436613.db2.gz JAQPHGIQKMPRRB-NSHDSACASA-N -1 0 343.345 3.713 20 0 EHADRM O=C([O-])CC1(NC(=O)CCCOc2cccc3ccccc32)CCC1 ZINC000262461870 601438712 /nfs/dbraw/zinc/43/87/12/601438712.db2.gz INYTXFIXWMHDBH-UHFFFAOYSA-N -1 0 341.407 3.512 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000832220915 601446292 /nfs/dbraw/zinc/44/62/92/601446292.db2.gz MDWAJEFTHDEGQP-SNVBAGLBSA-N -1 0 349.333 3.804 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccc(OC3CCC3)c(F)c2)c1 ZINC000238212571 601447210 /nfs/dbraw/zinc/44/72/10/601447210.db2.gz ANDSKMZZSJFVLV-UHFFFAOYSA-N -1 0 329.327 3.708 20 0 EHADRM O=C([O-])c1cc(NC(=O)Cc2coc3cc(F)ccc23)ccc1F ZINC000833119941 601448637 /nfs/dbraw/zinc/44/86/37/601448637.db2.gz JUXQWEFQFLIJHU-UHFFFAOYSA-N -1 0 331.274 3.590 20 0 EHADRM Cc1csc([C@H](OC(=O)c2cccc(C(=O)[O-])c2)C(F)(F)F)n1 ZINC000821147188 601451353 /nfs/dbraw/zinc/45/13/53/601451353.db2.gz ZPVJCUZMPUCMID-JTQLQIEISA-N -1 0 345.298 3.610 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 ZINC000767051547 601457819 /nfs/dbraw/zinc/45/78/19/601457819.db2.gz MYUPJVSREBFZBR-IBGZPJMESA-N -1 0 343.379 3.522 20 0 EHADRM C[C@@H](OC(=O)C1(c2ccc(F)cc2)CCC1)c1ccc(C(=O)[O-])o1 ZINC000827816981 601459025 /nfs/dbraw/zinc/45/90/25/601459025.db2.gz FRIDLAVCHLMDBV-LLVKDONJSA-N -1 0 332.327 3.843 20 0 EHADRM C[C@H](OC(=O)c1c[nH]nc1C1CCCCC1)c1ccc(C(=O)[O-])o1 ZINC000827843320 601464599 /nfs/dbraw/zinc/46/45/99/601464599.db2.gz DRECNCOWNVCZOK-JTQLQIEISA-N -1 0 332.356 3.667 20 0 EHADRM C[C@H](OC(=O)[C@@]1(C)CCc2ccccc2C1)c1ccc(C(=O)[O-])o1 ZINC000827816990 601467502 /nfs/dbraw/zinc/46/75/02/601467502.db2.gz FUTASSJMJKYGMS-BUXKBTBVSA-N -1 0 328.364 3.777 20 0 EHADRM COc1cc(Cl)c(Cl)cc1C(=O)OCc1ccoc1C(=O)[O-] ZINC000832004228 601470994 /nfs/dbraw/zinc/47/09/94/601470994.db2.gz MFPQVMRYUMNDHW-UHFFFAOYSA-N -1 0 345.134 3.650 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)CCc1ccc(Cl)s1 ZINC000262493402 601471012 /nfs/dbraw/zinc/47/10/12/601471012.db2.gz GUNAEYGBRFOHBT-MRXNPFEDSA-N -1 0 349.839 3.545 20 0 EHADRM CCC1(C(=O)OCc2csc(-c3cccc(C(=O)[O-])c3)n2)CC1 ZINC000829043847 601472979 /nfs/dbraw/zinc/47/29/79/601472979.db2.gz GMJNJZPYZMMFJS-UHFFFAOYSA-N -1 0 331.393 3.742 20 0 EHADRM CC1(C(=O)OCc2csc(-c3ccc(C(=O)[O-])cc3)n2)CCC1 ZINC000828041788 601474166 /nfs/dbraw/zinc/47/41/66/601474166.db2.gz GVFOHXFPSPQONH-UHFFFAOYSA-N -1 0 331.393 3.742 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)NC1(CC(=O)[O-])CCC1 ZINC000649537152 601476512 /nfs/dbraw/zinc/47/65/12/601476512.db2.gz UWXLRFVXIPMAPC-UHFFFAOYSA-N -1 0 334.416 3.512 20 0 EHADRM CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000830157468 601478001 /nfs/dbraw/zinc/47/80/01/601478001.db2.gz JVMNXVBQBKJWIS-GJZGRUSLSA-N -1 0 336.457 3.879 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@@H]2CCCc3[nH]ccc32)ccc1Cl ZINC000833159697 601478264 /nfs/dbraw/zinc/47/82/64/601478264.db2.gz VWMPSAFBISTTTK-CQSZACIVSA-N -1 0 333.775 3.565 20 0 EHADRM O=C([O-])CCCc1nc(CS[C@H]2CCc3ccc(F)cc32)no1 ZINC000833230417 601481020 /nfs/dbraw/zinc/48/10/20/601481020.db2.gz MJGFVIHPJKNGEU-ZDUSSCGKSA-N -1 0 336.388 3.537 20 0 EHADRM CC(C)N(C)c1cccc(NC(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC000656602082 601485903 /nfs/dbraw/zinc/48/59/03/601485903.db2.gz GJFNDKLEGOKOAH-UHFFFAOYSA-N -1 0 347.459 3.640 20 0 EHADRM O=C([O-])c1ccc(OC(=O)c2ccc3ccc(Cl)cc3n2)cc1 ZINC000833321733 601499377 /nfs/dbraw/zinc/49/93/77/601499377.db2.gz LDYIHXBWTQNXOB-UHFFFAOYSA-N -1 0 327.723 3.806 20 0 EHADRM Cc1ccc(C)c(NC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)c1 ZINC000237646900 601525191 /nfs/dbraw/zinc/52/51/91/601525191.db2.gz BNDGWOVJCUJGJC-UHFFFAOYSA-N -1 0 327.380 3.636 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)C1CC1 ZINC000767068372 601529029 /nfs/dbraw/zinc/52/90/29/601529029.db2.gz FYBPFXQKNOOFKN-ZDUSSCGKSA-N -1 0 333.771 3.583 20 0 EHADRM CSc1ccc(NC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)cc1 ZINC000347385040 601529791 /nfs/dbraw/zinc/52/97/91/601529791.db2.gz LFZHXCWAHXGQTA-UHFFFAOYSA-N -1 0 345.420 3.741 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1Cc1csc(-c2ccco2)n1 ZINC000324718177 601544925 /nfs/dbraw/zinc/54/49/25/601544925.db2.gz FDBGGXAFDVNVOI-MRXNPFEDSA-N -1 0 340.404 3.587 20 0 EHADRM CC(C)c1ccc(-c2ncc(CN3CC[C@](F)(C(=O)[O-])C3)s2)cc1 ZINC000827112401 601551500 /nfs/dbraw/zinc/55/15/00/601551500.db2.gz GWTRRPUQHUNKGW-GOSISDBHSA-N -1 0 348.443 3.932 20 0 EHADRM C[C@H](Sc1ccccn1)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000197880994 601558458 /nfs/dbraw/zinc/55/84/58/601558458.db2.gz MJORDXMJRLYMEM-VIFPVBQESA-N -1 0 336.800 3.553 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1ccccc1C(F)(F)F ZINC000392958424 601574605 /nfs/dbraw/zinc/57/46/05/601574605.db2.gz QOWNCRGGCSOATI-OAHLLOKOSA-N -1 0 349.308 3.530 20 0 EHADRM C[C@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccccc1 ZINC000539568121 601582501 /nfs/dbraw/zinc/58/25/01/601582501.db2.gz JQISQUOEORYCBT-SJKOYZFVSA-N -1 0 331.799 3.776 20 0 EHADRM C[C@H](C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccccc1F ZINC000345768254 601583431 /nfs/dbraw/zinc/58/34/31/601583431.db2.gz CQKLHNZMFDJYOA-BONVTDFDSA-N -1 0 335.762 3.525 20 0 EHADRM COc1ccc2sc(C(=O)NCC3(C(=O)[O-])CCCC3)c(C)c2c1 ZINC000676024083 601600033 /nfs/dbraw/zinc/60/00/33/601600033.db2.gz XTQNODHGZCBEOY-UHFFFAOYSA-N -1 0 347.436 3.593 20 0 EHADRM O=C([O-])[C@H](OC(=O)Cc1ccc(F)cc1F)c1cccc(Cl)c1 ZINC000833118481 601600596 /nfs/dbraw/zinc/60/05/96/601600596.db2.gz NAKXWBABFJIOMV-OAHLLOKOSA-N -1 0 340.709 3.530 20 0 EHADRM O=C([O-])C1(CNC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)CCCC1 ZINC000678982067 601601839 /nfs/dbraw/zinc/60/18/39/601601839.db2.gz AZXVOBCQHFMLJV-ROUUACIJSA-N -1 0 337.419 3.705 20 0 EHADRM CC(C)COc1ccc(CC(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000236671718 601613485 /nfs/dbraw/zinc/61/34/85/601613485.db2.gz FOWNPEDDKZURHC-UHFFFAOYSA-N -1 0 341.407 3.530 20 0 EHADRM CSc1cccc(NC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000832790811 601614461 /nfs/dbraw/zinc/61/44/61/601614461.db2.gz VLABTDLNJOLWHX-MLGOLLRUSA-N -1 0 344.436 3.992 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccccc2CC(=O)[O-])o1 ZINC000324484372 601614805 /nfs/dbraw/zinc/61/48/05/601614805.db2.gz HPUZJQBBYNSRIA-SWLSCSKDSA-N -1 0 327.380 3.601 20 0 EHADRM CCOc1ccccc1NC(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000830109687 601614965 /nfs/dbraw/zinc/61/49/65/601614965.db2.gz JHVSHRLOPVGUBG-GUYCJALGSA-N -1 0 342.395 3.669 20 0 EHADRM O=C([O-])c1ccc(CN[C@@H](c2ccccc2)c2ccccn2)cc1F ZINC000833315197 601615659 /nfs/dbraw/zinc/61/56/59/601615659.db2.gz WLYRLBJJVMXXRU-IBGZPJMESA-N -1 0 336.366 3.798 20 0 EHADRM Cc1cc(F)ccc1NC(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832889739 601615939 /nfs/dbraw/zinc/61/59/39/601615939.db2.gz PPKPDNILQBBQPO-WBMJQRKESA-N -1 0 330.359 3.718 20 0 EHADRM CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc(NC(=O)[O-])c2)C1(C)C ZINC000829413729 601618459 /nfs/dbraw/zinc/61/84/59/601618459.db2.gz WLIYGAYLCNEILX-HZPDHXFCSA-N -1 0 348.443 3.832 20 0 EHADRM Cc1cccc(CC(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000540669411 601619281 /nfs/dbraw/zinc/61/92/81/601619281.db2.gz IBQVOUQIDDMAKJ-INIZCTEOSA-N -1 0 331.799 3.523 20 0 EHADRM O=C([O-])C[C@H](NC(=O)/C=C\c1ccccc1)c1ccc(Cl)cc1 ZINC000776667247 601619790 /nfs/dbraw/zinc/61/97/90/601619790.db2.gz QEHXNFJMGNAEFO-BCTQVIJGSA-N -1 0 329.783 3.685 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000829532486 601619930 /nfs/dbraw/zinc/61/99/30/601619930.db2.gz MVWJCMSSAHCBKB-LBPRGKRZSA-N -1 0 340.807 3.504 20 0 EHADRM CCOc1cccc(NC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000830104603 601620459 /nfs/dbraw/zinc/62/04/59/601620459.db2.gz JYVLTTWRNNZQDN-DYVFJYSZSA-N -1 0 342.395 3.669 20 0 EHADRM Cc1nnc(SCc2cc(C(=O)[O-])sc2C)n1-c1ccccc1 ZINC000833031566 601622681 /nfs/dbraw/zinc/62/26/81/601622681.db2.gz ODODQSMPIHIQSD-UHFFFAOYSA-N -1 0 345.449 3.936 20 0 EHADRM CCOC(=O)Nc1cccc(OCc2cc(C(=O)[O-])sc2C)c1 ZINC000829866110 601628648 /nfs/dbraw/zinc/62/86/48/601628648.db2.gz OTKLAAMEMHBJDW-UHFFFAOYSA-N -1 0 335.381 3.902 20 0 EHADRM O=C([O-])[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000136523434 601629174 /nfs/dbraw/zinc/62/91/74/601629174.db2.gz GHPMMKFOMRMOQC-MISXGVKJSA-N -1 0 342.222 3.563 20 0 EHADRM O=C([O-])c1ccc(COc2ccc([N+](=O)[O-])c(Cl)c2)cc1F ZINC000318508748 601633801 /nfs/dbraw/zinc/63/38/01/601633801.db2.gz YRTLBQVNIYKYFQ-UHFFFAOYSA-N -1 0 325.679 3.665 20 0 EHADRM CCCNC(=O)Nc1cccc(OCc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000829512921 601635298 /nfs/dbraw/zinc/63/52/98/601635298.db2.gz BRUWBFOMMKQMJC-UHFFFAOYSA-N -1 0 346.358 3.634 20 0 EHADRM CC(C)C[C@H](C)OCCC(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC000826759292 601658311 /nfs/dbraw/zinc/65/83/11/601658311.db2.gz CDENZHPFBDZHAV-AWEZNQCLSA-N -1 0 333.428 3.505 20 0 EHADRM C[C@@H](CN(C)C(=O)CCCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000237374486 601683172 /nfs/dbraw/zinc/68/31/72/601683172.db2.gz SHJFNEDKJFGPLN-QMMMGPOBSA-N -1 0 338.256 3.557 20 0 EHADRM O=C([O-])[C@]1(F)CCN(C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000833160718 601685690 /nfs/dbraw/zinc/68/56/90/601685690.db2.gz PIHNUCJQLQHJBZ-SFHVURJKSA-N -1 0 344.342 3.509 20 0 EHADRM Cc1ccccc1CC1CN(C(=O)Nc2cc(C(=O)[O-])ccc2F)C1 ZINC000832980900 601692679 /nfs/dbraw/zinc/69/26/79/601692679.db2.gz OLHDRPGKHADDLG-UHFFFAOYSA-N -1 0 342.370 3.539 20 0 EHADRM O=C([O-])[C@]1(F)CCN(C(=O)Nc2ccc3c(c2)oc2ccccc23)C1 ZINC000833159222 601694961 /nfs/dbraw/zinc/69/49/61/601694961.db2.gz WERCBKDSYARYOJ-SFHVURJKSA-N -1 0 342.326 3.617 20 0 EHADRM Cc1cccc(CC2CN(C(=O)Nc3cccc(NC(=O)[O-])c3)C2)c1 ZINC000832969747 601696409 /nfs/dbraw/zinc/69/64/09/601696409.db2.gz OYJNUOCSQKYWMB-UHFFFAOYSA-N -1 0 339.395 3.791 20 0 EHADRM O=C([O-])c1cc(C(=O)Nc2ccccc2CCC(F)(F)F)ccn1 ZINC000237987333 601701534 /nfs/dbraw/zinc/70/15/34/601701534.db2.gz LRGJDCNTJYECEF-UHFFFAOYSA-N -1 0 338.285 3.527 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2nc(Cl)ccc2Cl)cc1F ZINC000833314031 601702848 /nfs/dbraw/zinc/70/28/48/601702848.db2.gz ANSXEKCGIYHGSJ-UHFFFAOYSA-N -1 0 344.125 3.583 20 0 EHADRM O=C([O-])c1ccc(COC(=O)CCSc2ccccc2)cc1F ZINC000833101291 601703608 /nfs/dbraw/zinc/70/36/08/601703608.db2.gz PAJWBLFGWDMLHJ-UHFFFAOYSA-N -1 0 334.368 3.750 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2c(F)cccc2Cl)cc1F ZINC000833315938 601704680 /nfs/dbraw/zinc/70/46/80/601704680.db2.gz LOHNMCJVJIACNP-UHFFFAOYSA-N -1 0 326.682 3.673 20 0 EHADRM Cc1cc(C(=O)NCC(C)(C)C(=O)[O-])sc1-c1ccc(F)cc1 ZINC000237579481 601713992 /nfs/dbraw/zinc/71/39/92/601713992.db2.gz PLPWKHGICYJHHX-UHFFFAOYSA-N -1 0 335.400 3.703 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)[C@H](C)Oc1ccc(C)cc1 ZINC000832953080 601720161 /nfs/dbraw/zinc/72/01/61/601720161.db2.gz KTUKVSSYCKODCX-NSHDSACASA-N -1 0 334.393 3.574 20 0 EHADRM CC(C)Cc1nc(C(=O)OCc2ccc(C(=O)[O-])c(F)c2)cs1 ZINC000826912681 601725918 /nfs/dbraw/zinc/72/59/18/601725918.db2.gz FEQCTWXSVYPCKI-UHFFFAOYSA-N -1 0 337.372 3.536 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1csc(C(C)(C)C)n1 ZINC000833030850 601726985 /nfs/dbraw/zinc/72/69/85/601726985.db2.gz DLIJYIPQPXYMND-UHFFFAOYSA-N -1 0 339.438 3.866 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)C[C@@H]1OCCc2ccccc21 ZINC000833032332 601730163 /nfs/dbraw/zinc/73/01/63/601730163.db2.gz ZWGXSTOYYMZJAB-HNNXBMFYSA-N -1 0 346.404 3.502 20 0 EHADRM O=C([O-])[C@H](NC(=O)C[C@@H]1CCCc2ccccc21)c1ccccc1F ZINC000678986260 601740739 /nfs/dbraw/zinc/74/07/39/601740739.db2.gz PXDDXHHMVWSCSI-IFXJQAMLSA-N -1 0 341.382 3.578 20 0 EHADRM C/C(=C/C(=O)Nc1nc(CCCC(=O)[O-])cs1)c1ccccc1 ZINC000825724222 601741985 /nfs/dbraw/zinc/74/19/85/601741985.db2.gz KKWSHEULPHIVKL-BENRWUELSA-N -1 0 330.409 3.592 20 0 EHADRM CC(C)Oc1ccccc1C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC000827063261 601746748 /nfs/dbraw/zinc/74/67/48/601746748.db2.gz ZRTUDUNRZYAJDA-UHFFFAOYSA-N -1 0 348.424 3.590 20 0 EHADRM CCCOc1cccc(C(=O)Nc2nc(CCCC(=O)[O-])cs2)c1 ZINC000325315372 601747536 /nfs/dbraw/zinc/74/75/36/601747536.db2.gz ASECEVUNUBQXLV-UHFFFAOYSA-N -1 0 348.424 3.592 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000830169117 601792576 /nfs/dbraw/zinc/79/25/76/601792576.db2.gz OFQXTYNWEDHBTF-ONGXEEELSA-N -1 0 342.848 3.636 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2cccc(Cl)c2o1)c1ccccc1 ZINC000238031882 601802245 /nfs/dbraw/zinc/80/22/45/601802245.db2.gz JAHBEIYXMODTDN-CQSZACIVSA-N -1 0 329.739 3.642 20 0 EHADRM C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c1ccc2ccccc2c1 ZINC000194925844 601803025 /nfs/dbraw/zinc/80/30/25/601803025.db2.gz IIVQVYYGBINGPA-QRWLVFNGSA-N -1 0 347.414 3.755 20 0 EHADRM CN(C(=O)NCCc1ccc(C(=O)[O-])cc1)C1CCC(C)(C)CC1 ZINC000325249834 601803112 /nfs/dbraw/zinc/80/31/12/601803112.db2.gz UWCXCJZERJITGM-UHFFFAOYSA-N -1 0 332.444 3.538 20 0 EHADRM C[C@@H]1CN(C(=O)N[C@@H](CC(C)(C)C)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000828347156 601803585 /nfs/dbraw/zinc/80/35/85/601803585.db2.gz CQBNOPVGICIPII-KBMXLJTQSA-N -1 0 332.444 3.526 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)Nc2ccc(CNC(=O)[O-])cc2)c1 ZINC000832527887 601803941 /nfs/dbraw/zinc/80/39/41/601803941.db2.gz FYMFGUZLRAVBJT-ZDUSSCGKSA-N -1 0 342.395 3.595 20 0 EHADRM CN(C)C(=O)c1cccc(CSCc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000830575488 601813005 /nfs/dbraw/zinc/81/30/05/601813005.db2.gz SGTMBHHJTXDIOT-UHFFFAOYSA-N -1 0 347.411 3.659 20 0 EHADRM Cc1nc(COc2ccc(Br)cc2C(=O)[O-])sc1C ZINC000094966895 601825181 /nfs/dbraw/zinc/82/51/81/601825181.db2.gz HNGPVLCFXSLKDP-UHFFFAOYSA-N -1 0 342.214 3.800 20 0 EHADRM O=C([O-])Nc1cc(NCc2nccn2Cc2ccccc2)ccc1F ZINC000833284089 601829580 /nfs/dbraw/zinc/82/95/80/601829580.db2.gz ZNHVLYAREXOSPG-UHFFFAOYSA-N -1 0 340.358 3.773 20 0 EHADRM COc1ccccc1[C@@H](NCc1c[nH]c(C(=O)[O-])c1)c1ccccc1 ZINC000832596350 601833476 /nfs/dbraw/zinc/83/34/76/601833476.db2.gz PTOURNFQYZZZSF-IBGZPJMESA-N -1 0 336.391 3.601 20 0 EHADRM COc1ccc(-c2cncc(C(=O)Nc3ccccc3C(=O)[O-])c2)cc1 ZINC000683326751 601844743 /nfs/dbraw/zinc/84/47/43/601844743.db2.gz DLIWBJDVAKFMGR-UHFFFAOYSA-N -1 0 348.358 3.708 20 0 EHADRM CC[C@H](NC(=S)NCc1cccc(C(=O)[O-])c1)c1cccs1 ZINC000828982357 601845995 /nfs/dbraw/zinc/84/59/95/601845995.db2.gz CDBQABVJUYSGKN-ZDUSSCGKSA-N -1 0 334.466 3.562 20 0 EHADRM C[C@@H]1CCC[C@@H](NC(=O)CSCc2ccc(C(=O)[O-])s2)[C@H]1C ZINC000828240203 601846758 /nfs/dbraw/zinc/84/67/58/601846758.db2.gz SZULBCRTOGAKTD-NTZNESFSSA-N -1 0 341.498 3.620 20 0 EHADRM CCC[C@@H](NC(=O)NCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000666513689 601848462 /nfs/dbraw/zinc/84/84/62/601848462.db2.gz PTXACZFUISPMCV-QGZVFWFLSA-N -1 0 326.396 3.725 20 0 EHADRM CCc1cc(=O)oc2cc(OCc3ccc(C(=O)[O-])s3)ccc12 ZINC000830209805 601849213 /nfs/dbraw/zinc/84/92/13/601849213.db2.gz QTIVAPWTUWMMOL-UHFFFAOYSA-N -1 0 330.361 3.694 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=S)Nc2ccccc2-c2ccccc2)C1 ZINC000828020536 601852876 /nfs/dbraw/zinc/85/28/76/601852876.db2.gz RLHFNDIJIGIWGM-IBGZPJMESA-N -1 0 340.448 3.847 20 0 EHADRM Cc1ccc(-c2cncc(C(=O)N[C@H](C(=O)[O-])c3ccccc3)c2)cc1 ZINC000237736538 601852917 /nfs/dbraw/zinc/85/29/17/601852917.db2.gz XLAUZMKCXKSYAS-IBGZPJMESA-N -1 0 346.386 3.613 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cncc(-c3ccccc3)c2)c(F)c1 ZINC000479555642 601855869 /nfs/dbraw/zinc/85/58/69/601855869.db2.gz JLDIOOFYFXNKQT-UHFFFAOYSA-N -1 0 336.322 3.838 20 0 EHADRM Cc1sc(NC(=O)C2(NC(=O)[O-])CCCC2)nc1-c1ccccc1 ZINC000740282142 601869268 /nfs/dbraw/zinc/86/92/68/601869268.db2.gz SYTLNNITNZFCJE-UHFFFAOYSA-N -1 0 345.424 3.637 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc2[nH]c3c(c2c1)CCCC3)C1CCCC1 ZINC000833245701 601874138 /nfs/dbraw/zinc/87/41/38/601874138.db2.gz IPDMKTHGTFNFQF-UHFFFAOYSA-N -1 0 340.423 3.516 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)C2(c3ccccc3F)CC2)cc1 ZINC000833262405 601880243 /nfs/dbraw/zinc/88/02/43/601880243.db2.gz CJRXXDMVBWRZOD-UHFFFAOYSA-N -1 0 346.379 3.640 20 0 EHADRM CC(C)C[C@H](NC(=O)C1CCC(NC(=O)[O-])CC1)c1cccs1 ZINC000738805525 601887170 /nfs/dbraw/zinc/88/71/70/601887170.db2.gz BKNQFBDQZYBGCZ-RUXDESIVSA-N -1 0 338.473 3.778 20 0 EHADRM COC(=O)c1ccc2nc(SCc3ccc(C(=O)[O-])s3)oc2c1 ZINC000831449374 601895582 /nfs/dbraw/zinc/89/55/82/601895582.db2.gz RTJVBPWODXEZJH-UHFFFAOYSA-N -1 0 349.389 3.666 20 0 EHADRM CC1(C)CN(C(=O)[C@H](NC(=O)[O-])c2ccccc2)[C@H]1c1ccccc1 ZINC000739063192 601898062 /nfs/dbraw/zinc/89/80/62/601898062.db2.gz HVQGNURRCWNLDO-SJORKVTESA-N -1 0 338.407 3.605 20 0 EHADRM CC[C@@H](C)Oc1ccc(NC(=O)[C@@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000739248771 601899089 /nfs/dbraw/zinc/89/90/89/601899089.db2.gz KDFHEURYEZOQPL-DYVFJYSZSA-N -1 0 342.395 3.811 20 0 EHADRM CN(Cc1cc(F)ccc1F)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830806887 601901408 /nfs/dbraw/zinc/90/14/08/601901408.db2.gz XUXFTGZKFXUEGX-HNNXBMFYSA-N -1 0 345.267 3.640 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)[C@H]1CCSc2ccccc21 ZINC000833132032 601902239 /nfs/dbraw/zinc/90/22/39/601902239.db2.gz PPBDKTPOOJMMKA-HRCADAONSA-N -1 0 347.480 3.806 20 0 EHADRM C[C@@H](c1ccccc1)N(C(=O)C1CCC(NC(=O)[O-])CC1)C1CC1 ZINC000739060844 601927475 /nfs/dbraw/zinc/92/74/75/601927475.db2.gz WVELKZJSTHMCAP-JEYLPNPQSA-N -1 0 330.428 3.565 20 0 EHADRM COc1ccc(N(CC(C)C)C(=O)C2CCC(NC(=O)[O-])CC2)cc1 ZINC000739909646 601928512 /nfs/dbraw/zinc/92/85/12/601928512.db2.gz IZZYPJWVPGLSFL-UHFFFAOYSA-N -1 0 348.443 3.511 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2nccs2)cc(C(F)(F)F)c1 ZINC000833283864 601958656 /nfs/dbraw/zinc/95/86/56/601958656.db2.gz OGZYBAAOXYYMQQ-UHFFFAOYSA-N -1 0 331.275 3.504 20 0 EHADRM O=C([O-])N1[C@H](C(=O)Nc2cccc(C(F)F)c2)C[C@H]2CCCC[C@@H]21 ZINC000740471485 601961311 /nfs/dbraw/zinc/96/13/11/601961311.db2.gz WNSITJTVXDMUGH-SWHYSGLUSA-N -1 0 338.354 3.874 20 0 EHADRM COc1cc(NC(=O)c2cc(C)cc(Cl)c2)c(C(=O)[O-])cc1OC ZINC000391661925 601962607 /nfs/dbraw/zinc/96/26/07/601962607.db2.gz FQQNWXPWCZPGDJ-UHFFFAOYSA-N -1 0 349.770 3.616 20 0 EHADRM Cc1ccc(-c2cncc(C(=O)Oc3cccc(CC(=O)[O-])c3)c2)cc1 ZINC000832907397 601982277 /nfs/dbraw/zinc/98/22/77/601982277.db2.gz VAQROBJLWBTGRS-UHFFFAOYSA-N -1 0 347.370 3.903 20 0 EHADRM Cc1cc(F)c(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1F ZINC000832887358 601983458 /nfs/dbraw/zinc/98/34/58/601983458.db2.gz SGDMXIOICJUJHZ-AWEZNQCLSA-N -1 0 340.709 3.909 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@@H]1CC12CCC2)c1ccc(Cl)cc1Cl ZINC000833170548 601984036 /nfs/dbraw/zinc/98/40/36/601984036.db2.gz QKCYJGWLWOLQAK-CMPLNLGQSA-N -1 0 329.179 3.853 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NCc1nc(C(C)C)cs1 ZINC000832914643 601984994 /nfs/dbraw/zinc/98/49/94/601984994.db2.gz CRVGTMUZKUEKKO-UHFFFAOYSA-N -1 0 333.413 3.595 20 0 EHADRM CCCOc1cc(F)ccc1NC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000829527719 601992714 /nfs/dbraw/zinc/99/27/14/601992714.db2.gz LESZNNDFCUPHCH-UHFFFAOYSA-N -1 0 346.358 3.886 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)c1cccc(Cl)c1F)c1ccccc1 ZINC000391366502 602003537 /nfs/dbraw/zinc/00/35/37/602003537.db2.gz QSZBQGANJJVLQJ-AWEZNQCLSA-N -1 0 335.762 3.815 20 0 EHADRM CC(C)(C)c1ccc(CCCC(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000236582477 602004333 /nfs/dbraw/zinc/00/43/33/602004333.db2.gz JOSCUXRHPXJKFK-HXUWFJFHSA-N -1 0 331.456 3.630 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2sccc2Br)s1 ZINC000833314584 602004449 /nfs/dbraw/zinc/00/44/49/602004449.db2.gz HFKPIYWUJMHJPQ-UHFFFAOYSA-N -1 0 347.211 3.627 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000832588399 602008071 /nfs/dbraw/zinc/00/80/71/602008071.db2.gz DIIRYXWFPNBHRW-LUAWRHEFSA-N -1 0 332.377 3.602 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)s1 ZINC000833315393 602010263 /nfs/dbraw/zinc/01/02/63/602010263.db2.gz QWLJCQGMDVYAPV-VHSXEESVSA-N -1 0 338.331 3.571 20 0 EHADRM CN(C(=O)c1ccc(C(C)(C)C)s1)[C@H](C(=O)[O-])c1ccccc1 ZINC000830528325 602013816 /nfs/dbraw/zinc/01/38/16/602013816.db2.gz KUAVZPUWCZDNHE-HNNXBMFYSA-N -1 0 331.437 3.944 20 0 EHADRM Cc1ccc(-c2cncc(C(=O)OCc3ccoc3C(=O)[O-])c2)cc1 ZINC000832907346 602014064 /nfs/dbraw/zinc/01/40/64/602014064.db2.gz SFVBBDFEMKANLY-UHFFFAOYSA-N -1 0 337.331 3.705 20 0 EHADRM C[C@@]1(C(=O)NCCCCCCCC(=O)[O-])CCc2ccccc2C1 ZINC000827966231 602021168 /nfs/dbraw/zinc/02/11/68/602021168.db2.gz NOQKQVXDPUWRDW-HXUWFJFHSA-N -1 0 331.456 3.723 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc(C(F)F)c1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738991643 602051154 /nfs/dbraw/zinc/05/11/54/602051154.db2.gz VBGMDORNJNHGFR-ZYHUDNBSSA-N -1 0 341.358 3.524 20 0 EHADRM C/C=C(/C)C(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC000828535177 602062537 /nfs/dbraw/zinc/06/25/37/602062537.db2.gz XVTVUHAMDQOXHC-DXNYSGJVSA-N -1 0 325.364 3.869 20 0 EHADRM CCC(CC)[C@@H](NC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1cccs1 ZINC000263072725 602062728 /nfs/dbraw/zinc/06/27/28/602062728.db2.gz TZYGETHWIPDQCP-RHSMWYFYSA-N -1 0 338.473 3.732 20 0 EHADRM CCCCC[C@H](NC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccccc1 ZINC000829327102 602068100 /nfs/dbraw/zinc/06/81/00/602068100.db2.gz ULVQCJGGMOVVPA-QFBILLFUSA-N -1 0 332.444 3.814 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000263186057 602068824 /nfs/dbraw/zinc/06/88/24/602068824.db2.gz WTXPTVISISZKJP-JQFCIGGWSA-N -1 0 333.428 3.626 20 0 EHADRM CC(C)COc1ccc(CC(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000263179949 602068887 /nfs/dbraw/zinc/06/88/87/602068887.db2.gz VAVNTDQWGFWGTA-UHFFFAOYSA-N -1 0 341.407 3.530 20 0 EHADRM C[C@@H](Oc1ccc(-c2nc3cccc(Cl)c3n2C)cc1)C(=O)[O-] ZINC000827878710 602069295 /nfs/dbraw/zinc/06/92/95/602069295.db2.gz BYLPOMPVXHUDGO-SNVBAGLBSA-N -1 0 330.771 3.746 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2cc3c(cccc3F)s2)c1 ZINC000321759104 602070381 /nfs/dbraw/zinc/07/03/81/602070381.db2.gz CHPRIIAROHSBDL-UHFFFAOYSA-N -1 0 329.352 3.920 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2ccnc(Oc3ccccc3)c2)c1 ZINC000532873902 602075985 /nfs/dbraw/zinc/07/59/85/602075985.db2.gz YPGVVNWIDGOJNN-UHFFFAOYSA-N -1 0 348.358 3.753 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)OC/C(Cl)=C/Cl)C(=O)[O-] ZINC000827922764 602084548 /nfs/dbraw/zinc/08/45/48/602084548.db2.gz YDAUWIVKZTUBCF-HWPCKVLBSA-N -1 0 335.208 3.728 20 0 EHADRM CSCCCOC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000832763101 602099495 /nfs/dbraw/zinc/09/94/95/602099495.db2.gz WDBHLCWZKWKLNU-UHFFFAOYSA-N -1 0 337.319 3.705 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000827274360 602102353 /nfs/dbraw/zinc/10/23/53/602102353.db2.gz XGVXUOJDIJCPNG-SJCJKPOMSA-N -1 0 331.799 3.656 20 0 EHADRM C[C@H](CC(=O)[O-])c1nc(-c2ccc(Oc3ccccc3)nc2)no1 ZINC000827391706 602102714 /nfs/dbraw/zinc/10/27/14/602102714.db2.gz IQAJPYQRMRZGIC-LLVKDONJSA-N -1 0 325.324 3.502 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000827248337 602109564 /nfs/dbraw/zinc/10/95/64/602109564.db2.gz YFIMUDUDCXAVGQ-SECBINFHSA-N -1 0 330.211 3.595 20 0 EHADRM Cc1ccc(Br)c(C(=O)N(C)c2ccccc2C(=O)[O-])c1 ZINC000161387559 602110581 /nfs/dbraw/zinc/11/05/81/602110581.db2.gz WJONFVNAVOBKMV-UHFFFAOYSA-N -1 0 348.196 3.732 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000827273001 602114772 /nfs/dbraw/zinc/11/47/72/602114772.db2.gz PVEJPYKVKLMTNF-SUMWQHHRSA-N -1 0 345.826 3.851 20 0 EHADRM C[C@@H](NC(=O)[C@@H](C)CC(=O)[O-])c1ccccc1OCc1ccccc1 ZINC000827303107 602116324 /nfs/dbraw/zinc/11/63/24/602116324.db2.gz BIFCEBRSQGEQFD-LSDHHAIUSA-N -1 0 341.407 3.554 20 0 EHADRM O=C([O-])c1csc(NS(=O)(=O)/C=C\c2ccc(Cl)cc2)c1 ZINC000833344050 602118501 /nfs/dbraw/zinc/11/85/01/602118501.db2.gz ZBBUIWMSTBZVSB-WAYWQWQTSA-N -1 0 343.813 3.512 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N[C@H](c1ccc(C(C)(C)C)cc1)C(F)(F)F ZINC000827274955 602123039 /nfs/dbraw/zinc/12/30/39/602123039.db2.gz YVLZOKLQESEYMC-QMTHXVAHSA-N -1 0 345.361 3.815 20 0 EHADRM O=C([O-])c1ccc(NCc2nnc(-c3cccc(Cl)c3)o2)cc1 ZINC000833320727 602127743 /nfs/dbraw/zinc/12/77/43/602127743.db2.gz CHPMZIVXRXQFNA-UHFFFAOYSA-N -1 0 329.743 3.700 20 0 EHADRM Cn1cc(-c2nc(CNc3cc(Cl)cc(C(=O)[O-])c3)cs2)cn1 ZINC000833041382 602129302 /nfs/dbraw/zinc/12/93/02/602129302.db2.gz RXPZNVILUCITCK-UHFFFAOYSA-N -1 0 348.815 3.507 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000829009809 602132676 /nfs/dbraw/zinc/13/26/76/602132676.db2.gz RECIRBSTNCIAJV-KRWDZBQOSA-N -1 0 349.427 3.607 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000827255165 602140597 /nfs/dbraw/zinc/14/05/97/602140597.db2.gz CQUKXGMJRFDTIZ-RISCZKNCSA-N -1 0 343.345 3.870 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=S)NCc1cccs1)c1ccccc1 ZINC000826105831 602152120 /nfs/dbraw/zinc/15/21/20/602152120.db2.gz KQTZVKXFCOISEW-AWEZNQCLSA-N -1 0 348.493 3.564 20 0 EHADRM Cc1ccc(Oc2ccccc2CNC(=O)[C@@H](C)CC(=O)[O-])cc1 ZINC000832953223 602152624 /nfs/dbraw/zinc/15/26/24/602152624.db2.gz CUWQSJGQZNJSOK-AWEZNQCLSA-N -1 0 327.380 3.514 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 ZINC000827317188 602157234 /nfs/dbraw/zinc/15/72/34/602157234.db2.gz JNLNXQTZSHBOON-SNVBAGLBSA-N -1 0 342.326 3.683 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000827317324 602157384 /nfs/dbraw/zinc/15/73/84/602157384.db2.gz KXRKPGPANWWEEF-GFCCVEGCSA-N -1 0 347.798 3.968 20 0 EHADRM Cc1ccc(OCCC(=O)Nc2ccccc2NC(=O)[O-])c(C)c1 ZINC000740146627 602176244 /nfs/dbraw/zinc/17/62/44/602176244.db2.gz LJJAJFGEPFSQDV-UHFFFAOYSA-N -1 0 328.368 3.801 20 0 EHADRM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1NC(=O)[O-] ZINC000739053451 602179352 /nfs/dbraw/zinc/17/93/52/602179352.db2.gz HRTYGWGJVMPUEB-SNVBAGLBSA-N -1 0 334.759 3.836 20 0 EHADRM O=C([O-])c1csc(NC(=O)CCCOc2ccccc2Cl)c1 ZINC000191372985 602184655 /nfs/dbraw/zinc/18/46/55/602184655.db2.gz ZDUUJGLLTXCQCA-UHFFFAOYSA-N -1 0 339.800 3.897 20 0 EHADRM Cc1c(Br)cccc1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000191362443 602184872 /nfs/dbraw/zinc/18/48/72/602184872.db2.gz JYSHXPFKQFJXRC-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)Cc1ccc(C(C)(C)C)cc1 ZINC000830815259 602185523 /nfs/dbraw/zinc/18/55/23/602185523.db2.gz ZKUWADJRSVUFBQ-UHFFFAOYSA-N -1 0 339.435 3.883 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(-c2ccco2)s1 ZINC000833180354 602190016 /nfs/dbraw/zinc/19/00/16/602190016.db2.gz BZNLPTAVMHANHL-XQQFMLRXSA-N -1 0 345.420 3.866 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12)C(C)C ZINC000828951757 602227408 /nfs/dbraw/zinc/22/74/08/602227408.db2.gz QWUKNOAKVFBRTB-OAHLLOKOSA-N -1 0 344.411 3.859 20 0 EHADRM Cc1ccc(F)c(NC(=O)c2cccn2C2CCN(C(=O)[O-])CC2)c1 ZINC000740127090 602231168 /nfs/dbraw/zinc/23/11/68/602231168.db2.gz JDTYCMUHEGYFSY-UHFFFAOYSA-N -1 0 345.374 3.503 20 0 EHADRM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCO[C@H](c2cccs2)C1 ZINC000583030251 602232628 /nfs/dbraw/zinc/23/26/28/602232628.db2.gz NDPHHDXRHKRSNY-ZFWWWQNUSA-N -1 0 337.828 3.601 20 0 EHADRM COc1ccc(NC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1 ZINC000832398853 602234670 /nfs/dbraw/zinc/23/46/70/602234670.db2.gz SKESANSNFQLTRP-MRXNPFEDSA-N -1 0 342.395 3.669 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=S)Nc3ccc(F)cc3F)ccc21 ZINC000740528702 602235231 /nfs/dbraw/zinc/23/52/31/602235231.db2.gz FGCNDGPHQUAMRV-UHFFFAOYSA-N -1 0 349.362 3.814 20 0 EHADRM CCCC1(CNC(=O)NCCc2ccc(NC(=O)[O-])cc2)CCC1 ZINC000829245603 602246466 /nfs/dbraw/zinc/24/64/66/602246466.db2.gz LUVINPFFCBYMKP-UHFFFAOYSA-N -1 0 333.432 3.589 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2ccc(-c3ccco3)s2)c1 ZINC000832179045 602251322 /nfs/dbraw/zinc/25/13/22/602251322.db2.gz RCMLESGVLIGQRQ-UHFFFAOYSA-N -1 0 343.360 3.967 20 0 EHADRM O=C([O-])N1CCC(CC(=O)Nc2scnc2-c2ccccc2)CC1 ZINC000740348679 602251613 /nfs/dbraw/zinc/25/16/13/602251613.db2.gz DEKNTWJPPWCKPO-UHFFFAOYSA-N -1 0 345.424 3.529 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)CCn3ccc4ccccc43)ccc21 ZINC000740366101 602252937 /nfs/dbraw/zinc/25/29/37/602252937.db2.gz MFPAAUXCBHILTE-UHFFFAOYSA-N -1 0 349.390 3.711 20 0 EHADRM C[C@H]1CC/C(=C/C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)C1 ZINC000828208154 602261213 /nfs/dbraw/zinc/26/12/13/602261213.db2.gz ZTDQTWNPUNFEOU-UROBUVALSA-N -1 0 339.391 3.988 20 0 EHADRM Cc1oc(-c2cccs2)nc1CN1CCCC[C@H]1[C@@H](C)NC(=O)[O-] ZINC000740274537 602263943 /nfs/dbraw/zinc/26/39/43/602263943.db2.gz OAYLFAYRFKWWJF-RISCZKNCSA-N -1 0 349.456 3.722 20 0 EHADRM Cc1oc(-c2ccccc2)nc1CN1CCCC[C@@H]1[C@H](C)NC(=O)[O-] ZINC000740271444 602264162 /nfs/dbraw/zinc/26/41/62/602264162.db2.gz OPSLLKXJYNSCKW-SUMWQHHRSA-N -1 0 343.427 3.661 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000827873756 602264781 /nfs/dbraw/zinc/26/47/81/602264781.db2.gz NYJFIHOWKGRTFR-LRDDRELGSA-N -1 0 338.375 3.623 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000827874239 602264790 /nfs/dbraw/zinc/26/47/90/602264790.db2.gz XJOOKMNSTFPGNH-LRDDRELGSA-N -1 0 338.375 3.623 20 0 EHADRM CCC(CC)(CC)C(=O)O[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000828810123 602269001 /nfs/dbraw/zinc/26/90/01/602269001.db2.gz HCGBDEFQEOKINR-CYBMUJFWSA-N -1 0 349.427 3.780 20 0 EHADRM CC(C)c1ccc([C@H](NC(=O)CCNC(=O)[O-])c2cccs2)cc1 ZINC000736513691 602270650 /nfs/dbraw/zinc/27/06/50/602270650.db2.gz WNWHSKDLDGHSOW-KRWDZBQOSA-N -1 0 346.452 3.735 20 0 EHADRM C[C@@H](CC(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1)c1ccncc1 ZINC000827240500 602296801 /nfs/dbraw/zinc/29/68/01/602296801.db2.gz LOBFIOIGKPCGTN-JTQLQIEISA-N -1 0 347.440 3.666 20 0 EHADRM CC(C)[C@@H](CC(=O)N1CCC[C@H](CN(C)C(=O)[O-])C1)c1ccccc1 ZINC000738772765 602297200 /nfs/dbraw/zinc/29/72/00/602297200.db2.gz GFTORZDGJOFDCH-SJLPKXTDSA-N -1 0 346.471 3.665 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=S)Nc3ccc(Cl)nc3)ccc21 ZINC000740530503 602323084 /nfs/dbraw/zinc/32/30/84/602323084.db2.gz ZFRXVPXHNOMZSC-UHFFFAOYSA-N -1 0 348.815 3.584 20 0 EHADRM CN(C[C@H]1CCCN(C(=O)Nc2ccccc2C(C)(C)C)C1)C(=O)[O-] ZINC000739637360 602327919 /nfs/dbraw/zinc/32/79/19/602327919.db2.gz JZMVSCTZJFMWKA-CQSZACIVSA-N -1 0 347.459 3.838 20 0 EHADRM O=C([O-])NC1CCC(C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000740558019 602330021 /nfs/dbraw/zinc/33/00/21/602330021.db2.gz QDKPXAIRKLEMNB-UHFFFAOYSA-N -1 0 331.199 3.758 20 0 EHADRM O=C([O-])CN(Cc1csc(-c2ccccc2F)n1)C1CCCC1 ZINC000833249346 602336554 /nfs/dbraw/zinc/33/65/54/602336554.db2.gz DSTFWUZNUFEZOO-UHFFFAOYSA-N -1 0 334.416 3.778 20 0 EHADRM C[C@@H](NC(=O)C1(NC(=O)[O-])CCCC1)c1cccc2ccccc21 ZINC000738953797 602342817 /nfs/dbraw/zinc/34/28/17/602342817.db2.gz SFNRIXZVKSWCEW-CYBMUJFWSA-N -1 0 326.396 3.597 20 0 EHADRM CC(C)N(CCCNC(=O)c1cc(Cl)sc1Cl)C(=O)[O-] ZINC000738844916 602354944 /nfs/dbraw/zinc/35/49/44/602354944.db2.gz FHEIWSLGQWHYOS-UHFFFAOYSA-N -1 0 339.244 3.563 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cc2coc3cc(F)ccc23)cc1F ZINC000833119662 602355636 /nfs/dbraw/zinc/35/56/36/602355636.db2.gz CRZHDCJIRLHKAP-UHFFFAOYSA-N -1 0 331.274 3.590 20 0 EHADRM CCc1cccc2c(CC(=O)Nc3ccc(C(=O)[O-])c(F)c3)c[nH]c21 ZINC000767200485 602355967 /nfs/dbraw/zinc/35/59/67/602355967.db2.gz HFOXPSPTISCKLY-UHFFFAOYSA-N -1 0 340.354 3.749 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(OC3CCC3)cc2)cc1F ZINC000833153190 602358971 /nfs/dbraw/zinc/35/89/71/602358971.db2.gz GYNZARSZUPQCGF-UHFFFAOYSA-N -1 0 329.327 3.708 20 0 EHADRM CN(Cc1ccc2ccccc2c1)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000830841238 602373960 /nfs/dbraw/zinc/37/39/60/602373960.db2.gz YKLWSWDYXJJEMM-UHFFFAOYSA-N -1 0 337.379 3.540 20 0 EHADRM CC(C)N(CCC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1)C(=O)[O-] ZINC000738839101 602377531 /nfs/dbraw/zinc/37/75/31/602377531.db2.gz FKIJEYVZNPTPBV-OAHLLOKOSA-N -1 0 338.835 3.782 20 0 EHADRM CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000829032703 602382795 /nfs/dbraw/zinc/38/27/95/602382795.db2.gz ALBKPWUKTHYOSP-MRXNPFEDSA-N -1 0 345.374 3.924 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@@H]2CCCOc3ccccc32)cc1F ZINC000833153708 602383766 /nfs/dbraw/zinc/38/37/66/602383766.db2.gz PIZDMRZUAMEZKS-OAHLLOKOSA-N -1 0 344.342 3.559 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H]2CCc3c2cccc3Cl)cc1F ZINC000833153674 602384693 /nfs/dbraw/zinc/38/46/93/602384693.db2.gz OMDPJEUVEPVHHB-HNNXBMFYSA-N -1 0 348.761 3.986 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])c(F)c1)Cc1cccs1 ZINC000827486726 602390713 /nfs/dbraw/zinc/39/07/13/602390713.db2.gz SVABIHHRILQHLQ-SNVBAGLBSA-N -1 0 336.388 3.586 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Nc2ccccc2OCC(F)F)cc1 ZINC000833101760 602393393 /nfs/dbraw/zinc/39/33/93/602393393.db2.gz CSERIUWTBJYNEY-UHFFFAOYSA-N -1 0 349.333 3.600 20 0 EHADRM CC(C)Oc1ccc(Cl)cc1C(=O)N(CC(=O)[O-])C1CCCC1 ZINC000827054312 602398713 /nfs/dbraw/zinc/39/87/13/602398713.db2.gz GDSYERKICWYIOT-UHFFFAOYSA-N -1 0 339.819 3.597 20 0 EHADRM O=C([O-])Nc1ccc(-c2nc(Cc3cccc4cccnc43)no2)cc1 ZINC000738662908 602406110 /nfs/dbraw/zinc/40/61/10/602406110.db2.gz ZPYOIDNJKIFMGX-UHFFFAOYSA-N -1 0 346.346 3.966 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(-c2cc(-c3ccccc3)on2)n1 ZINC000738814224 602407428 /nfs/dbraw/zinc/40/74/28/602407428.db2.gz AUGLUHGMYQREFM-LBPRGKRZSA-N -1 0 342.355 3.746 20 0 EHADRM Cc1ccc(OCc2nc([C@@H](CC(C)C)NC(=O)[O-])no2)c(C)c1 ZINC000740144041 602407432 /nfs/dbraw/zinc/40/74/32/602407432.db2.gz KPUQXNFNVFJVIE-CYBMUJFWSA-N -1 0 333.388 3.620 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(Cc2cccc3cccnc32)n1 ZINC000738825250 602407758 /nfs/dbraw/zinc/40/77/58/602407758.db2.gz WCUVGOXWCVALBN-CQSZACIVSA-N -1 0 340.383 3.563 20 0 EHADRM Cc1[nH]c2ccccc2c1Cc1nc([C@@H](CC(C)C)NC(=O)[O-])no1 ZINC000740036188 602408685 /nfs/dbraw/zinc/40/86/85/602408685.db2.gz XJCVDURFRIXGBT-OAHLLOKOSA-N -1 0 342.399 3.805 20 0 EHADRM C[C@H](Cc1nc(C2(NC(=O)[O-])CCCC2)no1)c1ccc(F)cc1 ZINC000738943838 602413329 /nfs/dbraw/zinc/41/33/29/602413329.db2.gz HTRSYVYQDNGUAI-LLVKDONJSA-N -1 0 333.363 3.592 20 0 EHADRM CSc1ccc(Cl)c(-c2nc(C3(NC(=O)[O-])CCC3)no2)c1 ZINC000740015714 602416521 /nfs/dbraw/zinc/41/65/21/602416521.db2.gz HIYTVHDYMMFVLH-UHFFFAOYSA-N -1 0 339.804 3.759 20 0 EHADRM C[C@@H](SCc1ccccc1)c1nc(C2(NC(=O)[O-])CCC2)no1 ZINC000739054737 602416577 /nfs/dbraw/zinc/41/65/77/602416577.db2.gz KEPFWJRJDNTLEJ-LLVKDONJSA-N -1 0 333.413 3.711 20 0 EHADRM C[C@H]1CCc2c(-c3nc(C4(NC(=O)[O-])CCC4)no3)csc2C1 ZINC000739116572 602417904 /nfs/dbraw/zinc/41/79/04/602417904.db2.gz ZJEKGTIESOIULO-VIFPVBQESA-N -1 0 333.413 3.570 20 0 EHADRM CC(C)c1cccc(NC(=O)COc2cccc(CNC(=O)[O-])c2)c1 ZINC000738876377 602425188 /nfs/dbraw/zinc/42/51/88/602425188.db2.gz KGEOGLORTYMDBD-UHFFFAOYSA-N -1 0 342.395 3.595 20 0 EHADRM O=C([O-])N1CCCc2cc(Nc3nc4ccccc4c(=O)[nH]3)ccc21 ZINC000740524643 602435382 /nfs/dbraw/zinc/43/53/82/602435382.db2.gz ZWWQCPHPRCUGBA-UHFFFAOYSA-N -1 0 336.351 3.510 20 0 EHADRM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CC1CCN(C(=O)[O-])CC1 ZINC000738891186 602438162 /nfs/dbraw/zinc/43/81/62/602438162.db2.gz QGZPPUQLCNJXMJ-OAHLLOKOSA-N -1 0 344.455 3.594 20 0 EHADRM CCC(CC)(CNC(=O)[O-])NC(=O)c1cc(Cl)ccc1Cl ZINC000739252952 602444088 /nfs/dbraw/zinc/44/40/88/602444088.db2.gz PMHWXBSUFUARHS-UHFFFAOYSA-N -1 0 333.215 3.550 20 0 EHADRM CCN(Cc1cccs1)C(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000739445920 602454875 /nfs/dbraw/zinc/45/48/75/602454875.db2.gz UWZKMPXFSXBWBP-INIZCTEOSA-N -1 0 346.452 3.886 20 0 EHADRM CCN(Cc1ccccc1)C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000739443398 602456506 /nfs/dbraw/zinc/45/65/06/602456506.db2.gz JKQMRNGGUBRWNK-GOSISDBHSA-N -1 0 340.423 3.824 20 0 EHADRM CC(=O)c1ccccc1NC(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000738603060 602457059 /nfs/dbraw/zinc/45/70/59/602457059.db2.gz SKIPEPYUVVUKOC-INIZCTEOSA-N -1 0 340.379 3.617 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)Nc1ccc(NC(=O)[O-])cc1)CC2 ZINC000738297860 602470392 /nfs/dbraw/zinc/47/03/92/602470392.db2.gz QGEKPYOPMGQARI-INIZCTEOSA-N -1 0 325.368 3.894 20 0 EHADRM C[C@@H]1c2ccccc2CCN1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000736840024 602470415 /nfs/dbraw/zinc/47/04/15/602470415.db2.gz JBDHNYGQNAHAND-GFCCVEGCSA-N -1 0 325.368 3.928 20 0 EHADRM CSc1ccc(NC(=O)CC[C@H](NC(=O)[O-])c2ccccc2)cn1 ZINC000740021651 602473118 /nfs/dbraw/zinc/47/31/18/602473118.db2.gz ZSRPWMWFTNWZLW-AWEZNQCLSA-N -1 0 345.424 3.531 20 0 EHADRM COc1ccc(NC(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)c(C)c1 ZINC000739921815 602473214 /nfs/dbraw/zinc/47/32/14/602473214.db2.gz TUJAOVMMSKTMNY-QGZVFWFLSA-N -1 0 342.395 3.731 20 0 EHADRM C[C@@H](CNC(=O)c1ccc(F)c(NC(=O)[O-])c1)c1ccc(F)cc1 ZINC000738939411 602486162 /nfs/dbraw/zinc/48/61/62/602486162.db2.gz MPFKZJLSSIIPIX-JTQLQIEISA-N -1 0 334.322 3.588 20 0 EHADRM CSc1cccc(N(C)C(=O)c2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000740024445 602487988 /nfs/dbraw/zinc/48/79/88/602487988.db2.gz ZALWLFIISMEEAV-UHFFFAOYSA-N -1 0 334.372 3.914 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738126898 602488287 /nfs/dbraw/zinc/48/82/87/602488287.db2.gz YYAXHZJXVQQFTI-CYBMUJFWSA-N -1 0 342.395 3.993 20 0 EHADRM C[C@@H]1c2ccccc2CCN1C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739206565 602488315 /nfs/dbraw/zinc/48/83/15/602488315.db2.gz JRUGRCFWEMJCNT-LLVKDONJSA-N -1 0 328.343 3.675 20 0 EHADRM O=C([O-])N1CCc2ccc(NC(=O)c3cc(Cl)ccc3F)cc2C1 ZINC000740464967 602489091 /nfs/dbraw/zinc/48/90/91/602489091.db2.gz FIRNDEVGRLAVEL-UHFFFAOYSA-N -1 0 348.761 3.768 20 0 EHADRM Cc1cc(C)cc([C@H](C)NC(=O)c2ccc(CNC(=O)[O-])cc2)c1 ZINC000740063852 602489234 /nfs/dbraw/zinc/48/92/34/602489234.db2.gz LIMVBZSDMKJYMC-AWEZNQCLSA-N -1 0 326.396 3.562 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)ccc1F ZINC000740695252 602496362 /nfs/dbraw/zinc/49/63/62/602496362.db2.gz GURJKJZWUHLHOP-VHSXEESVSA-N -1 0 348.296 3.767 20 0 EHADRM CCC[C@@H](NC(=O)[O-])C(=O)Nc1ccc(Nc2nc(C)cs2)cc1 ZINC000739320128 602499924 /nfs/dbraw/zinc/49/99/24/602499924.db2.gz CTWRDCWRHVWYAC-CYBMUJFWSA-N -1 0 348.428 3.570 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)CCC(=O)c2ccc(F)cc2F)cc1 ZINC000740708331 602503709 /nfs/dbraw/zinc/50/37/09/602503709.db2.gz AQYQSVNFIUKFCI-UHFFFAOYSA-N -1 0 348.305 3.656 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739279023 602517000 /nfs/dbraw/zinc/51/70/00/602517000.db2.gz PVIQVYYYPRALQF-INIZCTEOSA-N -1 0 344.436 3.964 20 0 EHADRM CCN(C(=O)NCC[C@@H](C)NC(=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000739379467 602556461 /nfs/dbraw/zinc/55/64/61/602556461.db2.gz CBNCCEPWKZMMRV-OLZOCXBDSA-N -1 0 347.415 3.572 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)N1CCC(N(C)C(=O)[O-])CC1 ZINC000738306001 602558555 /nfs/dbraw/zinc/55/85/55/602558555.db2.gz ADHNYXVSTUDYKV-UHFFFAOYSA-N -1 0 333.432 3.725 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N2CC[C@@H](c3ccccc3F)C2)cc1 ZINC000738663769 602560465 /nfs/dbraw/zinc/56/04/65/602560465.db2.gz BKLMEWATCMFVCG-GFCCVEGCSA-N -1 0 343.358 3.937 20 0 EHADRM CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000737795277 602562764 /nfs/dbraw/zinc/56/27/64/602562764.db2.gz GGMQBEPQDSPHBK-AWEZNQCLSA-N -1 0 330.409 3.988 20 0 EHADRM CCOC(=O)Nc1ccc(OC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000737146338 602568357 /nfs/dbraw/zinc/56/83/57/602568357.db2.gz LGEVXJFEQIZASQ-UHFFFAOYSA-N -1 0 344.323 3.564 20 0 EHADRM CN(C(=O)[O-])[C@H]1CCCN(C(=O)Nc2ccccc2C(C)(C)C)C1 ZINC000739582459 602580746 /nfs/dbraw/zinc/58/07/46/602580746.db2.gz INBGBZKXRQGVFH-ZDUSSCGKSA-N -1 0 333.432 3.590 20 0 EHADRM CCc1cccc(NC(=O)N2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)c1 ZINC000739547142 602580807 /nfs/dbraw/zinc/58/08/07/602580807.db2.gz HPMUCOCMNKJPDJ-WBVHZDCISA-N -1 0 345.443 3.635 20 0 EHADRM Cc1ccc(F)cc1NC(=O)N1CCC[C@H]([C@@H]2CCCN2C(=O)[O-])C1 ZINC000740128848 602580970 /nfs/dbraw/zinc/58/09/70/602580970.db2.gz BYEZOYNBDKAEMC-BBRMVZONSA-N -1 0 349.406 3.520 20 0 EHADRM Cc1cccc(C)c1NC(=O)N1CCC[C@@H]([C@@H]2CCCN2C(=O)[O-])C1 ZINC000740165619 602581611 /nfs/dbraw/zinc/58/16/11/602581611.db2.gz GKMYHLQDUMSMEZ-CVEARBPZSA-N -1 0 345.443 3.690 20 0 EHADRM C[C@H](CNC(=O)[O-])N(C)C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000738931400 602600535 /nfs/dbraw/zinc/60/05/35/602600535.db2.gz HAGKAYIRKBYWKP-LLVKDONJSA-N -1 0 341.367 3.706 20 0 EHADRM CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000736907350 602603031 /nfs/dbraw/zinc/60/30/31/602603031.db2.gz PUBZLOCBYGUZQQ-CQSZACIVSA-N -1 0 327.384 3.919 20 0 EHADRM C[C@@H](COc1cccc(F)c1)NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738937813 602604270 /nfs/dbraw/zinc/60/42/70/602604270.db2.gz DKXDZVVKEOCCFB-NSHDSACASA-N -1 0 347.346 3.505 20 0 EHADRM Cc1cccc(OC[C@@H](C)NC(=O)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000740171971 602604354 /nfs/dbraw/zinc/60/43/54/602604354.db2.gz QOOXROHXIHRHGU-CYBMUJFWSA-N -1 0 343.383 3.674 20 0 EHADRM CC(C)C[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2 ZINC000738824645 602609256 /nfs/dbraw/zinc/60/92/56/602609256.db2.gz RSOSKUNEIUPYMJ-KRWDZBQOSA-N -1 0 345.443 3.765 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)c1ccc(Cl)nc1Cl ZINC000740714890 602625973 /nfs/dbraw/zinc/62/59/73/602625973.db2.gz AYBGOBRZJRVQPZ-UHFFFAOYSA-N -1 0 326.139 3.731 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)c1cc(F)c(Cl)nc1Cl ZINC000740715174 602626094 /nfs/dbraw/zinc/62/60/94/602626094.db2.gz HWDKRUCKWGZYNC-UHFFFAOYSA-N -1 0 344.129 3.870 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)c1ccccc1OCC1CC1 ZINC000740715194 602626128 /nfs/dbraw/zinc/62/61/28/602626128.db2.gz IFVFCINKEGNPGN-UHFFFAOYSA-N -1 0 326.352 3.818 20 0 EHADRM CCCCO[C@H](C)C(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000739332159 602643546 /nfs/dbraw/zinc/64/35/46/602643546.db2.gz ANPDSZMLSZTPNG-SECBINFHSA-N -1 0 348.321 3.939 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)CC[C@H]2CCCO2)c(C(F)(F)F)c1 ZINC000740709308 602644284 /nfs/dbraw/zinc/64/42/84/602644284.db2.gz XBZJZWFBKQRZOV-SNVBAGLBSA-N -1 0 346.305 3.693 20 0 EHADRM Cc1ccccc1N(C(=O)c1ccc(CNC(=O)[O-])cc1)C(C)C ZINC000740185698 602665431 /nfs/dbraw/zinc/66/54/31/602665431.db2.gz KFJRODWHKGWTMB-UHFFFAOYSA-N -1 0 326.396 3.818 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000738663509 602696000 /nfs/dbraw/zinc/69/60/00/602696000.db2.gz INZBGQKLGIGBOS-STQMWFEESA-N -1 0 332.306 3.797 20 0 EHADRM CC[C@H](c1ccccc1)N(CC)C(=O)c1csc(CNC(=O)[O-])n1 ZINC000739265582 602697729 /nfs/dbraw/zinc/69/77/29/602697729.db2.gz RALRSSOFUMPPDT-CQSZACIVSA-N -1 0 347.440 3.524 20 0 EHADRM Cc1ccccc1C1CCN(C(=O)C2CCC(NC(=O)[O-])CC2)CC1 ZINC000740181013 602733856 /nfs/dbraw/zinc/73/38/56/602733856.db2.gz MWFQUUVMVOMMLC-UHFFFAOYSA-N -1 0 344.455 3.527 20 0 EHADRM Cc1ccc(C(=O)N[C@H]2CCOc3c(C)cccc32)cc1NC(=O)[O-] ZINC000830210889 602787428 /nfs/dbraw/zinc/78/74/28/602787428.db2.gz FPILCCVJJYKUDO-HNNXBMFYSA-N -1 0 340.379 3.647 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CCC(C)(C)NC(=O)[O-] ZINC000739055307 602788992 /nfs/dbraw/zinc/78/89/92/602788992.db2.gz WFXXGHDTNFTOEH-LLVKDONJSA-N -1 0 326.824 3.686 20 0 EHADRM Cc1ccc(C(=O)N[C@@H]2CCCOc3ccccc32)cc1NC(=O)[O-] ZINC000830206261 602791843 /nfs/dbraw/zinc/79/18/43/602791843.db2.gz YRFLJNCIAHUYQN-OAHLLOKOSA-N -1 0 340.379 3.729 20 0 EHADRM C[C@@H](NC(=O)CCC(C)(C)NC(=O)[O-])c1cccc(Cl)c1Cl ZINC000738962578 602809005 /nfs/dbraw/zinc/80/90/05/602809005.db2.gz ZBRRXPNJLODNQQ-SECBINFHSA-N -1 0 347.242 3.997 20 0 EHADRM CC(C)(CCC(=O)NC(C)(C)c1cccc(Cl)c1)NC(=O)[O-] ZINC000738743384 602809654 /nfs/dbraw/zinc/80/96/54/602809654.db2.gz NFZWBYWPSCBOQI-UHFFFAOYSA-N -1 0 326.824 3.518 20 0 EHADRM Cc1ccc(-c2ccncc2)cc1NC(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000830148551 602814091 /nfs/dbraw/zinc/81/40/91/602814091.db2.gz AUIMXGPPUZDAIR-MRXNPFEDSA-N -1 0 339.395 3.528 20 0 EHADRM Cc1ccc(C[C@@H](C)N(C)C(=O)c2ccc(NC(=O)[O-])cc2)cc1 ZINC000738270384 602815495 /nfs/dbraw/zinc/81/54/95/602815495.db2.gz QAASUJRIMQYZTQ-CQSZACIVSA-N -1 0 326.396 3.788 20 0 EHADRM C[C@H](CNC(=O)c1ccc(NC(=O)[O-])cc1)Oc1ccccc1Cl ZINC000736605416 602818688 /nfs/dbraw/zinc/81/86/88/602818688.db2.gz GOVZYSCXLMWYDS-LLVKDONJSA-N -1 0 348.786 3.627 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N2CC[C@H](CN(C)C(=O)[O-])C2)cc1 ZINC000738879487 602833222 /nfs/dbraw/zinc/83/32/22/602833222.db2.gz VSKNPERBLMONGE-HZPDHXFCSA-N -1 0 346.471 3.762 20 0 EHADRM CC(C)CC[C@H](NC(=O)N1CC[C@@H](NC(=O)[O-])[C@@H](C)C1)C(C)(C)C ZINC000738818373 602836298 /nfs/dbraw/zinc/83/62/98/602836298.db2.gz GPKCYRKSBXUBGY-ZNMIVQPWSA-N -1 0 341.496 3.525 20 0 EHADRM C[C@@H](NC(=O)c1ccc(NC(=O)[O-])cc1O)c1ccc(Cl)s1 ZINC000739024290 602846414 /nfs/dbraw/zinc/84/64/14/602846414.db2.gz QJSDTRFWCRNQET-SSDOTTSWSA-N -1 0 340.788 3.688 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)CCCN(C)C(=O)[O-])cc2)nc1 ZINC000738649251 602856047 /nfs/dbraw/zinc/85/60/47/602856047.db2.gz NIXXVBMLUGRVMS-UHFFFAOYSA-N -1 0 343.383 3.511 20 0 EHADRM Cc1ccc(C(=O)N[C@H]2CCc3ccc(F)cc32)cc1NC(=O)[O-] ZINC000830211413 602874244 /nfs/dbraw/zinc/87/42/44/602874244.db2.gz QBGIHKNOYCCXGJ-HNNXBMFYSA-N -1 0 328.343 3.641 20 0 EHADRM CC[C@@H](OC(=O)c1ccc(F)c(NC(=O)[O-])c1)C(=O)c1ccccc1 ZINC000739275737 602890160 /nfs/dbraw/zinc/89/01/60/602890160.db2.gz BDESPWMUCHYYIT-OAHLLOKOSA-N -1 0 345.326 3.734 20 0 EHADRM CC(C)CCc1ccccc1NC(=O)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000738819867 602917653 /nfs/dbraw/zinc/91/76/53/602917653.db2.gz JYIVTBASTRJKRB-GDBMZVCRSA-N -1 0 347.459 3.785 20 0 EHADRM CSc1ccc(NC(=O)CC[C@H](NC(=O)[O-])c2ccccc2)nc1 ZINC000740020725 602926837 /nfs/dbraw/zinc/92/68/37/602926837.db2.gz TTXQVNFHTVIGGR-AWEZNQCLSA-N -1 0 345.424 3.531 20 0 EHADRM CC(C)(C)c1cnc(COC(=O)c2ccc(F)c(NC(=O)[O-])c2)o1 ZINC000738723650 602931402 /nfs/dbraw/zinc/93/14/02/602931402.db2.gz CXYZBWYIGUWDDF-UHFFFAOYSA-N -1 0 336.319 3.558 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cccc(Cl)c2Cl)C[C@@H](C)N1C(=O)[O-] ZINC000739149015 602939746 /nfs/dbraw/zinc/93/97/46/602939746.db2.gz YUUHNIUYUQBEGN-RKDXNWHRSA-N -1 0 346.214 3.598 20 0 EHADRM Cc1csc(C(C)(C)NC(=O)Nc2ccc(NC(=O)[O-])cc2)n1 ZINC000738336823 602941997 /nfs/dbraw/zinc/94/19/97/602941997.db2.gz NGCQDBKGNHRYOU-UHFFFAOYSA-N -1 0 334.401 3.598 20 0 EHADRM Cc1ccc(C(=O)N[C@H](c2ncccc2C)C(C)C)cc1NC(=O)[O-] ZINC000830204810 602943471 /nfs/dbraw/zinc/94/34/71/602943471.db2.gz JBPDWVAPVTUBME-INIZCTEOSA-N -1 0 341.411 3.915 20 0 EHADRM Cc1oc(-c2ccccc2)nc1C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000738391050 602959664 /nfs/dbraw/zinc/95/96/64/602959664.db2.gz VEMAWNSJPAWIMH-UHFFFAOYSA-N -1 0 338.319 3.959 20 0 EHADRM CCOc1ccc(CCC(=O)Oc2ccc(NC(=O)[O-])cc2)cc1 ZINC000737887303 602960609 /nfs/dbraw/zinc/96/06/09/602960609.db2.gz LMBXNRUWQYPYJB-UHFFFAOYSA-N -1 0 329.352 3.713 20 0 EHADRM COc1ccc(Cl)cc1CC(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000738098846 602960712 /nfs/dbraw/zinc/96/07/12/602960712.db2.gz DCMUHXYCBRBTEH-UHFFFAOYSA-N -1 0 335.743 3.587 20 0 EHADRM Cc1ccc(C(=O)NC[C@H]2CCCO[C@@H]2C(C)(C)C)cc1NC(=O)[O-] ZINC000830217217 602961944 /nfs/dbraw/zinc/96/19/44/602961944.db2.gz SEXNRNKGGWGPMN-ZBFHGGJFSA-N -1 0 348.443 3.656 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-] ZINC000739364611 602963013 /nfs/dbraw/zinc/96/30/13/602963013.db2.gz OCKQFMNVIQNPIT-VXGBXAGGSA-N -1 0 340.807 3.504 20 0 EHADRM CCOc1ccc(SCC(=O)Oc2ccc(NC(=O)[O-])cc2)cc1 ZINC000737885903 602964763 /nfs/dbraw/zinc/96/47/63/602964763.db2.gz CANAFAVNZDYNKB-UHFFFAOYSA-N -1 0 347.392 3.873 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)CCOc2ccccc2Cl)cc1 ZINC000738671053 602966002 /nfs/dbraw/zinc/96/60/02/602966002.db2.gz ZDXNKXYXCRETIS-UHFFFAOYSA-N -1 0 335.743 3.804 20 0 EHADRM C/C(=C\c1nc(C2(NC(=O)[O-])CCCC2)no1)c1cccc(F)c1 ZINC000738502571 603001671 /nfs/dbraw/zinc/00/16/71/603001671.db2.gz CDNKVIATMDMQBH-PKNBQFBNSA-N -1 0 331.347 3.806 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000738752788 603006087 /nfs/dbraw/zinc/00/60/87/603006087.db2.gz LBOJBRHOECZGOV-UHFFFAOYSA-N -1 0 338.407 3.935 20 0 EHADRM Cc1ccc(C(=O)N(C[C@H]2CCCO2)C2CCCC2)cc1NC(=O)[O-] ZINC000830182376 603007699 /nfs/dbraw/zinc/00/76/99/603007699.db2.gz ZVKGVADAIRYLEA-MRXNPFEDSA-N -1 0 346.427 3.649 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)[C@H]3CCC[C@H]3NC(=O)[O-])ccc2o1 ZINC000738728028 603020552 /nfs/dbraw/zinc/02/05/52/603020552.db2.gz NQBMIRCMSOYFDO-NWDGAFQWSA-N -1 0 345.399 3.500 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)Nc1cccc(NC2CCCC2)c1 ZINC000739241715 603027986 /nfs/dbraw/zinc/02/79/86/603027986.db2.gz VZESMRFAKSEJDS-LRDDRELGSA-N -1 0 333.432 3.662 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N[C@@H]2CSc3ccccc32)cc1 ZINC000738664508 603028790 /nfs/dbraw/zinc/02/87/90/603028790.db2.gz HEZMXINNKIFJQV-CYBMUJFWSA-N -1 0 329.381 3.745 20 0 EHADRM O=C([O-])N[C@@H](CNC(=O)c1cccc2ccccc21)c1ccccc1 ZINC000740538004 603034961 /nfs/dbraw/zinc/03/49/61/603034961.db2.gz WISYKUYEJQHNDI-SFHVURJKSA-N -1 0 334.375 3.579 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N2CCCc3sccc3C2)c1 ZINC000740706248 603038952 /nfs/dbraw/zinc/03/89/52/603038952.db2.gz IUKSJKZPBMNVDG-UHFFFAOYSA-N -1 0 349.387 3.957 20 0 EHADRM COc1cccc(CN(C)C(=O)Nc2cc(NC(=O)[O-])ccc2F)c1 ZINC000739946304 603039317 /nfs/dbraw/zinc/03/93/17/603039317.db2.gz JFBZEJRFNGTTEY-UHFFFAOYSA-N -1 0 347.346 3.588 20 0 EHADRM CS[C@@H]1CCC[C@@H](NC(=O)Nc2cc(NC(=O)[O-])ccc2F)C1 ZINC000739999806 603041144 /nfs/dbraw/zinc/04/11/44/603041144.db2.gz LZWOKKPOMIZWKQ-MWLCHTKSSA-N -1 0 341.408 3.711 20 0 EHADRM CC(C)Oc1ccccc1CC(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000824424476 603042006 /nfs/dbraw/zinc/04/20/06/603042006.db2.gz AWIPCPWBCBSFFG-UHFFFAOYSA-N -1 0 343.379 3.736 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@H]1C(=O)Nc1cccc(Nc2ccccc2)c1 ZINC000740567372 603049339 /nfs/dbraw/zinc/04/93/39/603049339.db2.gz HGEYUBNGZYNFCG-SJORKVTESA-N -1 0 339.395 3.805 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)[C@H]2CSc3ccccc32)c1 ZINC000739922684 603053897 /nfs/dbraw/zinc/05/38/97/603053897.db2.gz URZXHMPOBOSCEE-LBPRGKRZSA-N -1 0 344.392 3.613 20 0 EHADRM CN(C(=O)C1CCN(C(=O)[O-])CC1)c1ccc(-c2ccccc2)cc1 ZINC000827745225 603064842 /nfs/dbraw/zinc/06/48/42/603064842.db2.gz HQEDMERUSMSBBX-UHFFFAOYSA-N -1 0 338.407 3.706 20 0 EHADRM CC(C)(C)c1cnc(NC(=O)Cc2ccc(NC(=O)[O-])cc2)s1 ZINC000823859486 603071649 /nfs/dbraw/zinc/07/16/49/603071649.db2.gz PYTWJRJKZVXGNI-UHFFFAOYSA-N -1 0 333.413 3.712 20 0 EHADRM CC(C)[C@@H](CC(=O)NC1CCC(NC(=O)[O-])CC1)c1ccccc1 ZINC000738776781 603071982 /nfs/dbraw/zinc/07/19/82/603071982.db2.gz XQAYAPMHKLRTSU-OFLPRAFFSA-N -1 0 332.444 3.511 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)[C@H](CNC(=O)[O-])c1ccccc1 ZINC000740133112 603078561 /nfs/dbraw/zinc/07/85/61/603078561.db2.gz NTVVECZGFQENHR-CQSZACIVSA-N -1 0 332.787 3.638 20 0 EHADRM C[C@H](NC(=O)[C@@H](CNC(=O)[O-])c1ccccc1)c1ccccc1Cl ZINC000738954485 603079171 /nfs/dbraw/zinc/07/91/71/603079171.db2.gz XIMYMCFTBHGYOD-WFASDCNBSA-N -1 0 346.814 3.569 20 0 EHADRM COc1cccc(F)c1C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739951595 603093581 /nfs/dbraw/zinc/09/35/81/603093581.db2.gz SIWVMQRQQUOGEF-UHFFFAOYSA-N -1 0 344.342 3.517 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@H]2c2cccc(F)c2)cc1NC(=O)[O-] ZINC000830186515 603100698 /nfs/dbraw/zinc/10/06/98/603100698.db2.gz JFFPOQZKCUXXFC-INIZCTEOSA-N -1 0 328.343 3.811 20 0 EHADRM Cc1cc(C)c(NC(=O)NC2CCC(NC(=O)[O-])CC2)c(Cl)c1 ZINC000740066717 603136013 /nfs/dbraw/zinc/13/60/13/603136013.db2.gz RJVPIYIZWACJPV-UHFFFAOYSA-N -1 0 339.823 3.657 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739439805 603154819 /nfs/dbraw/zinc/15/48/19/603154819.db2.gz OCTZXILZEIZFSY-WDEREUQCSA-N -1 0 344.864 3.576 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000825616712 603155383 /nfs/dbraw/zinc/15/53/83/603155383.db2.gz JAKSNHOGTJXZDB-JTQLQIEISA-N -1 0 334.759 3.836 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)CCC(=O)c2ccccc2)cc1 ZINC000825416036 603170697 /nfs/dbraw/zinc/17/06/97/603170697.db2.gz JGZZSJNFCWGKSD-ZDUSSCGKSA-N -1 0 340.379 3.617 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2ccc3ccccc3n2)cc1 ZINC000825442476 603171369 /nfs/dbraw/zinc/17/13/69/603171369.db2.gz IFLDCIBKCZUDIM-LBPRGKRZSA-N -1 0 335.363 3.816 20 0 EHADRM CCc1ccc(OCC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)cc1 ZINC000827589338 603172286 /nfs/dbraw/zinc/17/22/86/603172286.db2.gz HGJHKFDTEVOEEZ-ZDUSSCGKSA-N -1 0 342.395 3.595 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000740714699 603172750 /nfs/dbraw/zinc/17/27/50/603172750.db2.gz XQCYWMUSAQQBCX-ZYHUDNBSSA-N -1 0 332.306 3.797 20 0 EHADRM Cc1cccc(NC(=S)N[C@@](C)(CNC(=O)[O-])CC(C)C)c1C ZINC000740170544 603173930 /nfs/dbraw/zinc/17/39/30/603173930.db2.gz LOBSTNSXZGJKEI-QGZVFWFLSA-N -1 0 337.489 3.662 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)[C@@H]2CCOc3ccccc32)cc1 ZINC000825416948 603176652 /nfs/dbraw/zinc/17/66/52/603176652.db2.gz NKMHXUHPUCXGPM-BLLLJJGKSA-N -1 0 340.379 3.520 20 0 EHADRM CCCOc1ccc(NC(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)c(C)c1 ZINC000739363910 603177302 /nfs/dbraw/zinc/17/73/02/603177302.db2.gz LVGWQIROTREDSO-UONOGXRCSA-N -1 0 334.416 3.549 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2cc3ccsc3[nH]2)cc1 ZINC000825442416 603195110 /nfs/dbraw/zinc/19/51/10/603195110.db2.gz GHMHWULDDVOQGV-VIFPVBQESA-N -1 0 329.381 3.810 20 0 EHADRM COc1ccc(C)cc1NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739888167 603200501 /nfs/dbraw/zinc/20/05/01/603200501.db2.gz APIQAVMOPYHSAV-UHFFFAOYSA-N -1 0 334.759 3.999 20 0 EHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)o1 ZINC000740117758 603211716 /nfs/dbraw/zinc/21/17/16/603211716.db2.gz KELHIDFZONRMJM-OAGGEKHMSA-N -1 0 348.443 3.858 20 0 EHADRM CCOc1ccc(CNC(=O)c2ccc(NC(=O)[O-])cc2Cl)cc1 ZINC000739501673 603214114 /nfs/dbraw/zinc/21/41/14/603214114.db2.gz JTOMYRPULDKRBK-UHFFFAOYSA-N -1 0 348.786 3.759 20 0 EHADRM CCc1ccc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)o1 ZINC000739540825 603218132 /nfs/dbraw/zinc/21/81/32/603218132.db2.gz BAARGVCUACYVDY-FMKPAKJESA-N -1 0 348.443 3.722 20 0 EHADRM CC(C)Oc1ccc(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)cn1 ZINC000738865529 603227552 /nfs/dbraw/zinc/22/75/52/603227552.db2.gz SBEWIWAVQDYMRJ-UHFFFAOYSA-N -1 0 349.774 3.864 20 0 EHADRM Cc1ccccc1CN(C)C(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000830573503 603227988 /nfs/dbraw/zinc/22/79/88/603227988.db2.gz MXASJFMKOTUYJV-YJBOKZPZSA-N -1 0 340.423 3.598 20 0 EHADRM COc1ccccc1[C@@H](C)NC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000829592129 603229817 /nfs/dbraw/zinc/22/98/17/603229817.db2.gz MJADKILPFCETHA-GFCCVEGCSA-N -1 0 328.368 3.585 20 0 EHADRM CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000826719835 603230079 /nfs/dbraw/zinc/23/00/79/603230079.db2.gz CASIWMWXQDJCMQ-GOSISDBHSA-N -1 0 343.383 3.639 20 0 EHADRM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C2CCN(C(=O)[O-])CC2)o1 ZINC000827585108 603232434 /nfs/dbraw/zinc/23/24/34/603232434.db2.gz ZRAVKVYYJIAUOB-CJNGLKHVSA-N -1 0 348.443 3.532 20 0 EHADRM CC(C)c1nc2cc(NC(=O)[C@H]3CCC[C@H](NC(=O)[O-])C3)ccc2o1 ZINC000738879616 603238318 /nfs/dbraw/zinc/23/83/18/603238318.db2.gz HSOQUAQMBUHVNQ-RYUDHWBXSA-N -1 0 345.399 3.716 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=S)Nc2ccc(F)cc2)cc1 ZINC000825449444 603239347 /nfs/dbraw/zinc/23/93/47/603239347.db2.gz QKYCIGHOBGCDSI-SNVBAGLBSA-N -1 0 333.388 3.963 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCC[C@H]1CNC(=O)[O-] ZINC000830472405 603252997 /nfs/dbraw/zinc/25/29/97/603252997.db2.gz PLNXFFJOSKXTPZ-DZGCQCFKSA-N -1 0 333.432 3.676 20 0 EHADRM Cc1ccc(F)c(NC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000830329132 603256056 /nfs/dbraw/zinc/25/60/56/603256056.db2.gz MYOJRXZGZRPMAD-BLLLJJGKSA-N -1 0 330.359 3.718 20 0 EHADRM Cn1cccc1[C@@H]1CCCN1C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000740295917 603268900 /nfs/dbraw/zinc/26/89/00/603268900.db2.gz UVHSQSWNSIRDBJ-HNNXBMFYSA-N -1 0 347.802 3.746 20 0 EHADRM Cc1cccc2c(CCNC(=O)c3cccc(NC(=O)[O-])c3)c[nH]c21 ZINC000738747940 603276820 /nfs/dbraw/zinc/27/68/20/603276820.db2.gz LXSDDJGENIDCCH-UHFFFAOYSA-N -1 0 337.379 3.539 20 0 EHADRM Cc1ccc(C(=O)NC2CCC(C(F)(F)F)CC2)cc1NC(=O)[O-] ZINC000830205662 603284663 /nfs/dbraw/zinc/28/46/63/603284663.db2.gz QJMTWEYWIODGCE-UHFFFAOYSA-N -1 0 344.333 3.936 20 0 EHADRM COc1cc(C)ccc1NC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000829100733 603291017 /nfs/dbraw/zinc/29/10/17/603291017.db2.gz AEMWXNZARGTBNZ-LBPRGKRZSA-N -1 0 343.383 3.976 20 0 EHADRM CC(C)CCc1ccccc1NC(=O)N1CCC[C@@H]1CNC(=O)[O-] ZINC000824243838 603297480 /nfs/dbraw/zinc/29/74/80/603297480.db2.gz AKOANHXRVGZIIV-OAHLLOKOSA-N -1 0 333.432 3.539 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000829172770 603301611 /nfs/dbraw/zinc/30/16/11/603301611.db2.gz BJTDNHCAGWIWFK-VHSXEESVSA-N -1 0 340.807 3.747 20 0 EHADRM CC(C)C[C@H](C(=O)N1CCC([C@@H](C)NC(=O)[O-])CC1)c1ccccc1 ZINC000738802590 603304539 /nfs/dbraw/zinc/30/45/39/603304539.db2.gz BONLCZKVYJKRTO-QAPCUYQASA-N -1 0 346.471 3.711 20 0 EHADRM Cc1ccc(C(=O)Nc2ccccc2-n2ccnc2)cc1NC(=O)[O-] ZINC000830234576 603306967 /nfs/dbraw/zinc/30/69/67/603306967.db2.gz VAEVWMOXBHXIRL-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM C[C@H](COCc1ccccc1)NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000825009670 603309936 /nfs/dbraw/zinc/30/99/36/603309936.db2.gz RCGXNCUTNVSJOM-CYBMUJFWSA-N -1 0 343.383 3.503 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)N2CCC[C@H]2C2CCCC2)c1 ZINC000740676582 603322251 /nfs/dbraw/zinc/32/22/51/603322251.db2.gz RNNOGJJWBQILJQ-INIZCTEOSA-N -1 0 331.416 3.641 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cc(NC(=O)[O-])ccc1F)SC ZINC000826541378 603326052 /nfs/dbraw/zinc/32/60/52/603326052.db2.gz WMDXLQQKVWYUPP-UHFFFAOYSA-N -1 0 343.424 3.959 20 0 EHADRM CN(Cc1ccccc1NC(=O)N1CCC2(C1)CCCCC2)C(=O)[O-] ZINC000828399595 603330567 /nfs/dbraw/zinc/33/05/67/603330567.db2.gz CAMDNIOBZOHQSP-UHFFFAOYSA-N -1 0 345.443 3.985 20 0 EHADRM C[C@H](CCc1ccco1)NC(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000738908721 603332430 /nfs/dbraw/zinc/33/24/30/603332430.db2.gz REOUWKOVKHDDSI-CYBMUJFWSA-N -1 0 345.399 3.532 20 0 EHADRM C[C@@H]1CN(C(=O)C(C)(C)CCCc2ccccc2)CC[C@H]1NC(=O)[O-] ZINC000739124150 603335753 /nfs/dbraw/zinc/33/57/53/603335753.db2.gz RNZZYHYZCVBEJX-NVXWUHKLSA-N -1 0 346.471 3.540 20 0 EHADRM CC(C)N(Cc1ccco1)C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000738852936 603336911 /nfs/dbraw/zinc/33/69/11/603336911.db2.gz MNVKDZRXAIILCO-UHFFFAOYSA-N -1 0 345.399 3.832 20 0 EHADRM CN(Cc1cccc(NC(=O)N2CCC[C@H]2C2CCC2)c1)C(=O)[O-] ZINC000739706885 603361552 /nfs/dbraw/zinc/36/15/52/603361552.db2.gz FNRPQDSNCIISGK-INIZCTEOSA-N -1 0 331.416 3.593 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N(C)[C@@H](C)c2ccco2)cc1 ZINC000825421870 603363084 /nfs/dbraw/zinc/36/30/84/603363084.db2.gz COBRVNZXANKWJS-RYUDHWBXSA-N -1 0 331.372 3.833 20 0 EHADRM Cc1cc(C)c(-c2nnc(SC[C@H]3CCN(C(=O)[O-])C3)o2)c(C)c1 ZINC000740063347 603374467 /nfs/dbraw/zinc/37/44/67/603374467.db2.gz KFNFYAHJKZBYBS-ZDUSSCGKSA-N -1 0 347.440 3.754 20 0 EHADRM CCc1cccc(CC)c1NC(=S)N[C@@H]1CCC[C@H]1CNC(=O)[O-] ZINC000739540428 603375189 /nfs/dbraw/zinc/37/51/89/603375189.db2.gz GJMIBCIXXHSSMU-LSDHHAIUSA-N -1 0 349.500 3.534 20 0 EHADRM CC(C)OCCCN(C)C(=O)c1cc2ccccc2cc1NC(=O)[O-] ZINC000738857069 603382013 /nfs/dbraw/zinc/38/20/13/603382013.db2.gz BTEQVRNGOBTJSR-UHFFFAOYSA-N -1 0 344.411 3.817 20 0 EHADRM CC(C)C[C@H](NC(=O)c1ccc(CNC(=O)[O-])o1)c1cccs1 ZINC000824219246 603384495 /nfs/dbraw/zinc/38/44/95/603384495.db2.gz SHBQFCRJAPZZOE-LBPRGKRZSA-N -1 0 336.413 3.626 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)o1 ZINC000830257963 603385298 /nfs/dbraw/zinc/38/52/98/603385298.db2.gz YGVHRZHSJCWSSC-NEPJUHHUSA-N -1 0 331.372 3.799 20 0 EHADRM CC(C)(C(=O)Nc1cccc2c1CCN(C(=O)[O-])C2)c1cccs1 ZINC000738661964 603391777 /nfs/dbraw/zinc/39/17/77/603391777.db2.gz OASRDIRCQGMWAX-UHFFFAOYSA-N -1 0 344.436 3.701 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1)NC(=O)[O-] ZINC000824693246 603404920 /nfs/dbraw/zinc/40/49/20/603404920.db2.gz AOTZREUQMAKNIS-SNVBAGLBSA-N -1 0 349.774 3.512 20 0 EHADRM Cc1cc2c(cc1C)O[C@H](c1nc([C@@H](CC(C)C)NC(=O)[O-])no1)C2 ZINC000830143698 603416420 /nfs/dbraw/zinc/41/64/20/603416420.db2.gz LWVPEVUZZZEVID-HIFRSBDPSA-N -1 0 345.399 3.717 20 0 EHADRM C[C@H](c1nc(-c2cccc(F)c2)no1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000825644557 603418425 /nfs/dbraw/zinc/41/84/25/603418425.db2.gz GSPCXPOTZOQZFT-XHDPSFHLSA-N -1 0 341.342 3.988 20 0 EHADRM CCN(Cc1ccccc1NC(=O)C[C@@H](C)c1cccnc1)C(=O)[O-] ZINC000739445680 603424499 /nfs/dbraw/zinc/42/44/99/603424499.db2.gz VGNRUBLGFSVRSP-CQSZACIVSA-N -1 0 341.411 3.714 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CCCC[C@H]2c2nccs2)ccc1F ZINC000740696087 603431201 /nfs/dbraw/zinc/43/12/01/603431201.db2.gz NIZZHGGDWJJHNX-ZDUSSCGKSA-N -1 0 349.387 3.740 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-])c1cccnc1 ZINC000738892935 603431369 /nfs/dbraw/zinc/43/13/69/603431369.db2.gz WOODVCHJYZEQPM-ZDUSSCGKSA-N -1 0 339.395 3.645 20 0 EHADRM CO[C@H](CNC(=O)c1ccc(NC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000737736211 603434130 /nfs/dbraw/zinc/43/41/30/603434130.db2.gz XBCMXBHQBCGACU-OAHLLOKOSA-N -1 0 348.786 3.547 20 0 EHADRM CSc1ccc(O[C@H](C)C(=O)Oc2cccc(NC(=O)[O-])c2)cc1 ZINC000738145689 603474634 /nfs/dbraw/zinc/47/46/34/603474634.db2.gz LEKNSACJAAEBPJ-LLVKDONJSA-N -1 0 347.392 3.871 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000829867775 603477343 /nfs/dbraw/zinc/47/73/43/603477343.db2.gz SEICAAASFPVCHU-UKRRQHHQSA-N -1 0 348.443 3.685 20 0 EHADRM CCOc1ccccc1CCC(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000827459711 603479899 /nfs/dbraw/zinc/47/98/99/603479899.db2.gz KDOWJIFNVMGOPO-UHFFFAOYSA-N -1 0 329.352 3.713 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000738122773 603481114 /nfs/dbraw/zinc/48/11/14/603481114.db2.gz FXPVQTPJAPQNAD-GFCCVEGCSA-N -1 0 329.352 3.884 20 0 EHADRM C[C@@H](NC(=O)c1c(Cl)cccc1Cl)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825460246 603482873 /nfs/dbraw/zinc/48/28/73/603482873.db2.gz ZQEISVVKPHDBOH-NXEZZACHSA-N -1 0 345.226 3.502 20 0 EHADRM Cc1cccc(C)c1NC(=O)C[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000830487329 603527328 /nfs/dbraw/zinc/52/73/28/603527328.db2.gz AHUYFFPUOYMUBH-INIZCTEOSA-N -1 0 326.396 3.511 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000829167147 603531099 /nfs/dbraw/zinc/53/10/99/603531099.db2.gz GQLXTTMMVXULJC-AOOOYVTPSA-N -1 0 340.807 3.842 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)CCCCCCNC(=O)[O-] ZINC000825778336 603558493 /nfs/dbraw/zinc/55/84/93/603558493.db2.gz LRVICEXXPBAYMM-RDJZCZTQSA-N -1 0 332.444 3.609 20 0 EHADRM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)CCCCCCNC(=O)[O-] ZINC000825778334 603558905 /nfs/dbraw/zinc/55/89/05/603558905.db2.gz LRVICEXXPBAYMM-DOTOQJQBSA-N -1 0 332.444 3.609 20 0 EHADRM COc1ccc(NC(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)cc1NC(=O)[O-] ZINC000829458859 603581726 /nfs/dbraw/zinc/58/17/26/603581726.db2.gz BLBGCQDKBGPHNX-LALPHHSUSA-N -1 0 347.415 3.970 20 0 EHADRM Cc1cc(Cl)ccc1NC(=O)COc1cccc(NC(=O)[O-])c1 ZINC000830050468 603633876 /nfs/dbraw/zinc/63/38/76/603633876.db2.gz PCNJRXCAVBDPMP-UHFFFAOYSA-N -1 0 334.759 3.756 20 0 EHADRM CC(=O)c1csc(-c2nc(-c3cccc(NC(=O)[O-])c3)no2)c1 ZINC000823640358 603638649 /nfs/dbraw/zinc/63/86/49/603638649.db2.gz BZTDFEWOOXCVMU-UHFFFAOYSA-N -1 0 329.337 3.758 20 0 EHADRM CCN(CC1CCN(C(=O)C(C)(C)c2ccc(C)cc2)CC1)C(=O)[O-] ZINC000827055537 603750981 /nfs/dbraw/zinc/75/09/81/603750981.db2.gz RVNPADQROVVDOC-UHFFFAOYSA-N -1 0 346.471 3.511 20 0 EHADRM CC(C)(CCC(=O)N1CCCC[C@@H]1c1ccc(F)cc1)NC(=O)[O-] ZINC000823885417 603752476 /nfs/dbraw/zinc/75/24/76/603752476.db2.gz FUYJAUZZFNNTTP-OAHLLOKOSA-N -1 0 336.407 3.706 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(NC(=O)[O-])cc2C(F)(F)F)C[C@@H]1C ZINC000826015087 603805746 /nfs/dbraw/zinc/80/57/46/603805746.db2.gz QFCVNIYUTATNFY-IUCAKERBSA-N -1 0 345.321 3.915 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@@H]1C(=O)Nc1ccccc1CCC(F)(F)F ZINC000832338308 603805917 /nfs/dbraw/zinc/80/59/17/603805917.db2.gz GVKUCKQQACUWAR-AAEUAGOBSA-N -1 0 344.333 3.556 20 0 EHADRM C[C@H](C(=O)N(C)C1CCN(C(=O)[O-])CC1)c1ccc2ccccc2c1 ZINC000823654618 603885698 /nfs/dbraw/zinc/88/56/98/603885698.db2.gz LCUJJMCDYYHXQD-AWEZNQCLSA-N -1 0 340.423 3.544 20 0 EHADRM O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)N1CCC[C@@]3(CC=CCC3)C1)C2 ZINC000831298885 603896874 /nfs/dbraw/zinc/89/68/74/603896874.db2.gz ISSCXGXXQBCGJN-KRXYWNSISA-N -1 0 346.471 3.646 20 0 EHADRM Cc1ccc(C(=O)OCc2ncc(C(C)(C)C)o2)cc1NC(=O)[O-] ZINC000830245621 603957953 /nfs/dbraw/zinc/95/79/53/603957953.db2.gz PAHNQCWBTTZXBT-UHFFFAOYSA-N -1 0 332.356 3.727 20 0 EHADRM C[C@H]1CCN(C(=O)C2CCC(NC(=O)[O-])CC2)[C@@H]1c1cccc(F)c1 ZINC000825936717 603960791 /nfs/dbraw/zinc/96/07/91/603960791.db2.gz BRZQUOJYHMKGGR-KLBWVBMESA-N -1 0 348.418 3.562 20 0 EHADRM CCOc1cc(C)ccc1NC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000827414035 603981541 /nfs/dbraw/zinc/98/15/41/603981541.db2.gz TXFOEWARWZYYKT-GOOCMWNKSA-N -1 0 346.427 3.643 20 0 EHADRM C[C@@H]1CCC[C@H](C)N(C(=O)Nc2cccc3c2CCN3C(=O)[O-])C1 ZINC000825886550 603988633 /nfs/dbraw/zinc/98/86/33/603988633.db2.gz IISFEUOGIKBMQZ-OLZOCXBDSA-N -1 0 331.416 3.770 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)N1CCC[C@H]1C1CCC1 ZINC000832068960 603993370 /nfs/dbraw/zinc/99/33/70/603993370.db2.gz GGPRQJZCMIPFIY-HNNXBMFYSA-N -1 0 329.400 3.524 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)Nc2cc(Cl)ccc2NC2CC2)o1 ZINC000832702795 603997053 /nfs/dbraw/zinc/99/70/53/603997053.db2.gz XBZPDDGLDCNXKQ-UHFFFAOYSA-N -1 0 349.774 3.527 20 0 EHADRM CC(C)c1ccc([C@@H](C)NC(=O)N(C)C2CCN(C(=O)[O-])CC2)cc1 ZINC000824463923 604021275 /nfs/dbraw/zinc/02/12/75/604021275.db2.gz NNPMINNJLYUEIG-CQSZACIVSA-N -1 0 347.459 3.655 20 0 EHADRM C[C@H]1CCN(C(=O)Cc2ccc(NC(=O)[O-])cc2)[C@@H](c2ccco2)C1 ZINC000825938146 604024704 /nfs/dbraw/zinc/02/47/04/604024704.db2.gz MFRCOCXCSYKBNN-XJKSGUPXSA-N -1 0 342.395 3.912 20 0 EHADRM O=C([O-])NC1(CC(=O)Nc2ccc(SC(F)F)cc2)CCC1 ZINC000832210981 604057984 /nfs/dbraw/zinc/05/79/84/604057984.db2.gz HYCLIZRRPRBPLS-UHFFFAOYSA-N -1 0 330.356 3.520 20 0 EHADRM O=C([O-])N1CCCN(Cc2cc(-c3ccco3)on2)c2ccccc21 ZINC000832015358 604097843 /nfs/dbraw/zinc/09/78/43/604097843.db2.gz NAFFZADZUIKTCS-UHFFFAOYSA-N -1 0 339.351 3.829 20 0 EHADRM CCc1cccc(CC)c1NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000827595050 604118557 /nfs/dbraw/zinc/11/85/57/604118557.db2.gz KWSJEHSNJXJKGZ-CVEARBPZSA-N -1 0 345.443 3.560 20 0 EHADRM CSc1ccccc1NC(=O)N(C)CC[C@@H](NC(=O)[O-])C(C)C ZINC000829771701 604120056 /nfs/dbraw/zinc/12/00/56/604120056.db2.gz FJXLLGUCLYJASW-GFCCVEGCSA-N -1 0 339.461 3.555 20 0 EHADRM Cc1nc(CN2CCC[C@H]2CNC(=O)[O-])oc1-c1ccc(Cl)cc1 ZINC000830752374 604131545 /nfs/dbraw/zinc/13/15/45/604131545.db2.gz VQOOSYNNICUWJJ-AWEZNQCLSA-N -1 0 349.818 3.535 20 0 EHADRM CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000827504281 604136719 /nfs/dbraw/zinc/13/67/19/604136719.db2.gz SVQHZHHOEIOWJS-ZIAGYGMSSA-N -1 0 337.445 3.962 20 0 EHADRM CN(Cc1ccccc1NC(=O)N1CCC[C@@H]2CCC[C@@H]21)C(=O)[O-] ZINC000828400099 604137639 /nfs/dbraw/zinc/13/76/39/604137639.db2.gz PYDJLXFLZGLXDL-BBRMVZONSA-N -1 0 331.416 3.593 20 0 EHADRM O=C([O-])N1CC[C@H](CSc2nnc(-c3cc4ccccc4o3)o2)C1 ZINC000831888717 604161457 /nfs/dbraw/zinc/16/14/57/604161457.db2.gz IKHLYYFJOWXVIL-JTQLQIEISA-N -1 0 345.380 3.575 20 0 EHADRM CO[C@H](C)c1nc(CNc2ccc([C@H](C)NC(=O)[O-])cc2)cs1 ZINC000828835792 604201950 /nfs/dbraw/zinc/20/19/50/604201950.db2.gz ICPSQBFDGKJQTP-WDEREUQCSA-N -1 0 335.429 3.791 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)OCc1cccs1 ZINC000829192140 604230605 /nfs/dbraw/zinc/23/06/05/604230605.db2.gz KHPGDEOKHTYHPD-UHFFFAOYSA-N -1 0 341.772 3.857 20 0 EHADRM C[C@H](c1ncc(C(C)(C)C)o1)N1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000825645976 604232355 /nfs/dbraw/zinc/23/23/55/604232355.db2.gz XHOOPRYXPSADFB-CYBMUJFWSA-N -1 0 349.475 3.888 20 0 EHADRM O=C([O-])N(CC1CC1)C1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000831422707 604244650 /nfs/dbraw/zinc/24/46/50/604244650.db2.gz CMFYCTXCCQPQAU-UHFFFAOYSA-N -1 0 336.476 3.728 20 0 EHADRM Cc1nc2ccccc2cc1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000738876567 604251980 /nfs/dbraw/zinc/25/19/80/604251980.db2.gz YDJQSNHPNZDQCT-UHFFFAOYSA-N -1 0 349.390 3.606 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000738841365 604252114 /nfs/dbraw/zinc/25/21/14/604252114.db2.gz QTHMSVHAXSGSBI-UHFFFAOYSA-N -1 0 347.440 3.637 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)C2(c3ccccc3)CCC2)cc1 ZINC000740015650 604254683 /nfs/dbraw/zinc/25/46/83/604254683.db2.gz NMLINUHAPLMINB-UHFFFAOYSA-N -1 0 338.407 3.557 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)O[C@@H]2CCc3ccc(Cl)cc32)o1 ZINC000832710261 604256220 /nfs/dbraw/zinc/25/62/20/604256220.db2.gz LYVVWEVMADBYKD-CYBMUJFWSA-N -1 0 335.743 3.545 20 0 EHADRM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C(C)(C)CNC(=O)[O-] ZINC000830084284 604278506 /nfs/dbraw/zinc/27/85/06/604278506.db2.gz IQLCCFFODUZTPX-AWEZNQCLSA-N -1 0 347.459 3.606 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H](c2ccccc2)C(F)(F)F)cc1F ZINC000833128131 604283466 /nfs/dbraw/zinc/28/34/66/604283466.db2.gz ZIHPPGPIZFOXER-ZDUSSCGKSA-N -1 0 341.260 3.557 20 0 EHADRM CCOCc1cccc(NC(=O)C[C@@H](C)[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000827410402 604328349 /nfs/dbraw/zinc/32/83/49/604328349.db2.gz ZBNHIVFPDHKWAQ-ZBFHGGJFSA-N -1 0 348.443 3.578 20 0 EHADRM Cc1[nH]c(C(=O)Nc2ccc(C)c(-c3ncco3)c2)c(C)c1C(=O)[O-] ZINC000832948302 604337699 /nfs/dbraw/zinc/33/76/99/604337699.db2.gz DWECFBFQAHCKHI-UHFFFAOYSA-N -1 0 339.351 3.545 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N[C@H]1CCCC(F)(F)C1)C(=O)[O-] ZINC000630296231 604348598 /nfs/dbraw/zinc/34/85/98/604348598.db2.gz ZVGRQBKOPOQLJY-QWRGUYRKSA-N -1 0 343.395 3.560 20 0 EHADRM C[C@H](CC(=O)N1CCCC[C@H]1c1ccco1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824583328 604355896 /nfs/dbraw/zinc/35/58/96/604355896.db2.gz STDCYOGFBYUCOO-OAGGEKHMSA-N -1 0 348.443 3.749 20 0 EHADRM Cc1ccc(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc1-c1ncco1 ZINC000424378340 604371249 /nfs/dbraw/zinc/37/12/49/604371249.db2.gz GEOFMWVMAGEIAA-CYBMUJFWSA-N -1 0 345.399 3.518 20 0 EHADRM C[C@@H](C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])c1cccc(F)c1 ZINC000825994840 604376212 /nfs/dbraw/zinc/37/62/12/604376212.db2.gz KRUUUXKMAIULHK-DYVFJYSZSA-N -1 0 343.398 3.898 20 0 EHADRM C[C@H](CC(=O)N1C[C@H](C)[C@H]1c1ccccc1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824563317 604385150 /nfs/dbraw/zinc/38/51/50/604385150.db2.gz ALPYVJGHLOXKIA-YEWFCNIMSA-N -1 0 344.455 3.622 20 0 EHADRM CCc1oc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1C ZINC000830355390 604388837 /nfs/dbraw/zinc/38/88/37/604388837.db2.gz JDIHKGFZAIJZNV-MRXNPFEDSA-N -1 0 329.396 3.732 20 0 EHADRM Cc1cccc(CC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c1 ZINC000832969585 604390501 /nfs/dbraw/zinc/39/05/01/604390501.db2.gz ZOGZMZHAJIJAQB-SFHVURJKSA-N -1 0 325.408 3.506 20 0 EHADRM Cc1ccccc1CC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000832977892 604390571 /nfs/dbraw/zinc/39/05/71/604390571.db2.gz WXCQQPSTRVNDIY-GOSISDBHSA-N -1 0 325.408 3.506 20 0 EHADRM Cc1cc(C)c2c(c1)CCCN2C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000832873896 604390802 /nfs/dbraw/zinc/39/08/02/604390802.db2.gz CJPXHZMCFIGYMR-UHFFFAOYSA-N -1 0 327.355 3.734 20 0 EHADRM CN(C(=O)c1ccc(C(C)(C)C)s1)C1CCC(NC(=O)[O-])CC1 ZINC000827931565 604391208 /nfs/dbraw/zinc/39/12/08/604391208.db2.gz GUTFENMAHLOCTA-UHFFFAOYSA-N -1 0 338.473 3.696 20 0 EHADRM Cc1cc(COc2cc(F)ccc2Br)oc1C(=O)[O-] ZINC000160122439 604405177 /nfs/dbraw/zinc/40/51/77/604405177.db2.gz ZMUNFIHMZZHZDG-UHFFFAOYSA-N -1 0 329.121 3.767 20 0 EHADRM O=C([O-])c1ccc(OC(=O)c2ccnn2C2CCCC2)c(Cl)c1 ZINC000833322200 604408632 /nfs/dbraw/zinc/40/86/32/604408632.db2.gz YQQCXZCAAYWIHF-UHFFFAOYSA-N -1 0 334.759 3.569 20 0 EHADRM Cc1cc(O[C@@H](C)C(=O)Nc2cncc(C(=O)[O-])c2)ccc1C(C)C ZINC000832899629 604425598 /nfs/dbraw/zinc/42/55/98/604425598.db2.gz QUHFLPBQFWZPAW-ZDUSSCGKSA-N -1 0 342.395 3.618 20 0 EHADRM Cc1ccccc1-c1nc(COc2ccc(N(C)C(=O)[O-])cc2)no1 ZINC000830550813 604440617 /nfs/dbraw/zinc/44/06/17/604440617.db2.gz UVAFBBWQZJRAGI-UHFFFAOYSA-N -1 0 339.351 3.738 20 0 EHADRM Cc1ccc(NC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)cn1 ZINC000832948177 604446046 /nfs/dbraw/zinc/44/60/46/604446046.db2.gz UZDFHWFKTBQPOB-UHFFFAOYSA-N -1 0 339.273 3.751 20 0 EHADRM CC(C)(CCC(=O)N[C@@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000683318011 604462857 /nfs/dbraw/zinc/46/28/57/604462857.db2.gz DPHUFDBOUCQUNY-GOSISDBHSA-N -1 0 343.398 3.826 20 0 EHADRM CC(C)(C)O[C@@H](C(=O)O[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000833446409 604470980 /nfs/dbraw/zinc/47/09/80/604470980.db2.gz ZQAGGOIEGWCTFC-DLBZAZTESA-N -1 0 342.391 3.912 20 0 EHADRM C[C@H](NC(=O)Nc1cc(C(=O)[O-])cs1)c1nc2ccccc2s1 ZINC000827665224 604485133 /nfs/dbraw/zinc/48/51/33/604485133.db2.gz PDCKUFHWIIFVHD-QMMMGPOBSA-N -1 0 347.421 3.939 20 0 EHADRM C[C@]1(c2ccccc2)CCN(C(=O)Nc2cc(C(=O)[O-])cs2)C1 ZINC000828127547 604490070 /nfs/dbraw/zinc/49/00/70/604490070.db2.gz FPAPATCGCRHNRB-KRWDZBQOSA-N -1 0 330.409 3.642 20 0 EHADRM CN(Cc1ccc(F)cc1Cl)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000830825129 604492455 /nfs/dbraw/zinc/49/24/55/604492455.db2.gz BKEMEHHRMXXIID-UHFFFAOYSA-N -1 0 342.779 3.903 20 0 EHADRM Cc1ccc(C[C@@H]2CCCN2C(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000832928755 604493252 /nfs/dbraw/zinc/49/32/52/604493252.db2.gz ILJQMROUMNKCAQ-HNNXBMFYSA-N -1 0 344.436 3.994 20 0 EHADRM Cc1c(NC(=O)CC2(NC(=O)[O-])CCC2)cccc1C(F)(F)F ZINC000829881273 604508892 /nfs/dbraw/zinc/50/88/92/604508892.db2.gz VQMUKDDNCLWBQJ-UHFFFAOYSA-N -1 0 330.306 3.533 20 0 EHADRM C[C@@H](CNC(=O)Nc1cc(C(=O)[O-])cs1)c1ccc(F)cc1F ZINC000827477658 604509274 /nfs/dbraw/zinc/50/92/74/604509274.db2.gz KYONFDZMDXSUDZ-QMMMGPOBSA-N -1 0 340.351 3.650 20 0 EHADRM C[C@@H](Oc1ccc(CN(C)Cc2ccccc2Cl)cc1)C(=O)[O-] ZINC000833537375 604519121 /nfs/dbraw/zinc/51/91/21/604519121.db2.gz JLMSBWRZEMQDBP-CYBMUJFWSA-N -1 0 333.815 3.824 20 0 EHADRM C[C@H]1CN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C(C)(C)C1 ZINC000828347920 604519585 /nfs/dbraw/zinc/51/95/85/604519585.db2.gz GUOSSVFBJISMBH-HIFRSBDPSA-N -1 0 332.444 3.669 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)Nc2cc(F)ccc2F)cc1 ZINC000825389033 604524942 /nfs/dbraw/zinc/52/49/42/604524942.db2.gz NMPLDPKGPMZRBM-JTQLQIEISA-N -1 0 349.337 3.615 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000678979530 604527835 /nfs/dbraw/zinc/52/78/35/604527835.db2.gz GBSAICVJPDQNIV-UHFFFAOYSA-N -1 0 335.791 3.848 20 0 EHADRM CCc1ccc(OCC(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC000830259715 604543638 /nfs/dbraw/zinc/54/36/38/604543638.db2.gz FUULHHCHSRBVRY-GFCCVEGCSA-N -1 0 332.352 3.532 20 0 EHADRM CC(C)(CCC(=O)NCCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000431782584 604545710 /nfs/dbraw/zinc/54/57/10/604545710.db2.gz GKGWNWSYNNSXNM-UHFFFAOYSA-N -1 0 339.435 3.802 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2ccnc3ccccc32)oc1C(=O)[O-] ZINC000832875774 604551230 /nfs/dbraw/zinc/55/12/30/604551230.db2.gz OZGIEPMCDBEWHY-NSHDSACASA-N -1 0 325.320 3.752 20 0 EHADRM CCC(CC)n1ccc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)n1 ZINC000828869665 604551803 /nfs/dbraw/zinc/55/18/03/604551803.db2.gz DJLJJTXXCPIXRR-MRXNPFEDSA-N -1 0 343.427 3.580 20 0 EHADRM COc1cccc(CN(CC(=O)[O-])Cc2ccccc2)c1OC(C)C ZINC000833735051 604561118 /nfs/dbraw/zinc/56/11/18/604561118.db2.gz BLDJICBLAVVASA-UHFFFAOYSA-N -1 0 343.423 3.569 20 0 EHADRM Cc1cc([C@H](C)OC(=O)C2(c3cccc(C)c3)CC2)oc1C(=O)[O-] ZINC000832966406 604573939 /nfs/dbraw/zinc/57/39/39/604573939.db2.gz VYUKFXBFKUWLFR-ZDUSSCGKSA-N -1 0 328.364 3.931 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)C(F)(F)c2ccc(F)cc2)oc1C(=O)[O-] ZINC000832873941 604575255 /nfs/dbraw/zinc/57/52/55/604575255.db2.gz JELGNJXFQVLXLW-SECBINFHSA-N -1 0 342.269 3.822 20 0 EHADRM Cc1cc([C@H](C)OC(=O)Cc2c[nH]c3cc(F)ccc23)oc1C(=O)[O-] ZINC000832872661 604577542 /nfs/dbraw/zinc/57/75/42/604577542.db2.gz SSFANWAUSAQAQZ-JTQLQIEISA-N -1 0 345.326 3.754 20 0 EHADRM CS[C@H](C(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1)c1ccccc1 ZINC000832736363 604589374 /nfs/dbraw/zinc/58/93/74/604589374.db2.gz UJMDTNAPUYEHCX-NHYWBVRUSA-N -1 0 334.393 3.995 20 0 EHADRM Cc1cc([C@H](C)OC(=O)[C@@H](C)Cc2ccccc2F)oc1C(=O)[O-] ZINC000832878955 604590648 /nfs/dbraw/zinc/59/06/48/604590648.db2.gz ZNMYEWWTGBADDD-RYUDHWBXSA-N -1 0 334.343 3.908 20 0 EHADRM Cc1cc([C@H](C)OC(=O)[C@H](C)CCOc2ccccc2)oc1C(=O)[O-] ZINC000832871768 604593403 /nfs/dbraw/zinc/59/34/03/604593403.db2.gz DKTYNZPTTHWOQD-OCCSQVGLSA-N -1 0 346.379 3.996 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2c(C)noc2C(F)(F)F)oc1C(=O)[O-] ZINC000832872537 604595749 /nfs/dbraw/zinc/59/57/49/604595749.db2.gz PZYNRBMHNHLAJX-SSDOTTSWSA-N -1 0 347.245 3.519 20 0 EHADRM Cc1cc([C@H](C)OC(=O)[C@@H]2C[C@H]2Cc2ccccc2)oc1C(=O)[O-] ZINC000832871418 604597944 /nfs/dbraw/zinc/59/79/44/604597944.db2.gz BLKXLBSEEODQGY-NWANDNLSSA-N -1 0 328.364 3.769 20 0 EHADRM C[C@H]1C[C@H](C)CN(C(=O)Nc2cccc(SCCC(=O)[O-])c2)C1 ZINC000833590303 604602152 /nfs/dbraw/zinc/60/21/52/604602152.db2.gz GJNYLGMMHWCGFD-STQMWFEESA-N -1 0 336.457 3.763 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000326790431 604614131 /nfs/dbraw/zinc/61/41/31/604614131.db2.gz PYRSFSCLRLEDKP-MRXNPFEDSA-N -1 0 336.391 3.729 20 0 EHADRM CC(C)Oc1cccc(CN(C)[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000833507570 604620911 /nfs/dbraw/zinc/62/09/11/604620911.db2.gz VODKWZOVZCRYSO-GOSISDBHSA-N -1 0 331.387 3.871 20 0 EHADRM CS[C@H]1CCCCN(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000832747945 604630822 /nfs/dbraw/zinc/63/08/22/604630822.db2.gz TYENPVCJLKNARI-NSHDSACASA-N -1 0 342.848 3.788 20 0 EHADRM CCC(CC)n1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)n1 ZINC000828870586 604630928 /nfs/dbraw/zinc/63/09/28/604630928.db2.gz RNKBJKIWZMYKEE-UHFFFAOYSA-N -1 0 335.791 3.848 20 0 EHADRM COCc1ccccc1NCc1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000831821988 604654113 /nfs/dbraw/zinc/65/41/13/604654113.db2.gz JYTYQCYBBSBTOW-UHFFFAOYSA-N -1 0 329.396 3.525 20 0 EHADRM Cc1cccc(C(=O)N(C)c2ccccc2C(=O)[O-])c1Br ZINC000234236343 604660095 /nfs/dbraw/zinc/66/00/95/604660095.db2.gz WCXUHJXSAMSSQL-UHFFFAOYSA-N -1 0 348.196 3.732 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)c1ccc(F)c(Cl)c1)c1ccccc1 ZINC000391280083 604687741 /nfs/dbraw/zinc/68/77/41/604687741.db2.gz FIHWNWFCEIPOEH-OAHLLOKOSA-N -1 0 335.762 3.815 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)Cc1ccc(F)cc1Cl)c1ccccc1 ZINC000833222135 604689334 /nfs/dbraw/zinc/68/93/34/604689334.db2.gz LBIXRHMJMQEFFN-INIZCTEOSA-N -1 0 349.789 3.744 20 0 EHADRM C[C@H](c1ccco1)N(C(=O)CCc1ccccc1C(=O)[O-])C1CC1 ZINC000262233368 604717793 /nfs/dbraw/zinc/71/77/93/604717793.db2.gz XACLGXZKELHEKY-CYBMUJFWSA-N -1 0 327.380 3.663 20 0 EHADRM CC(C)N(Cc1cccc(F)c1)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000833499798 604721377 /nfs/dbraw/zinc/72/13/77/604721377.db2.gz YWXSOCGAGPTENR-UHFFFAOYSA-N -1 0 329.371 3.504 20 0 EHADRM CN(C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21)C1(C(=O)[O-])CCCC1 ZINC000830457922 604725324 /nfs/dbraw/zinc/72/53/24/604725324.db2.gz PJIMCPKLPOVARN-QZTJIDSGSA-N -1 0 337.419 3.799 20 0 EHADRM CN(Cc1cc2ccccc2o1)C(=O)CCc1ccccc1C(=O)[O-] ZINC000347382927 604769191 /nfs/dbraw/zinc/76/91/91/604769191.db2.gz VJHCIKLZORAGFA-UHFFFAOYSA-N -1 0 337.375 3.722 20 0 EHADRM O=C([O-])c1ccc(OC(=O)c2ncccc2C(F)(F)F)c(Cl)c1 ZINC000833782348 604797592 /nfs/dbraw/zinc/79/75/92/604797592.db2.gz NAMAGNLCILXMBT-UHFFFAOYSA-N -1 0 345.660 3.671 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N2Cc3ccccc3C(F)(F)C2)c1 ZINC000833329361 604798720 /nfs/dbraw/zinc/79/87/20/604798720.db2.gz AQBSUNDASDTWIL-UHFFFAOYSA-N -1 0 332.306 3.524 20 0 EHADRM C[C@@H](SCCc1cn(CC(=O)[O-])nn1)c1ccc2ccccc2c1 ZINC000827908228 604802881 /nfs/dbraw/zinc/80/28/81/604802881.db2.gz HHHPPVACHGLIPR-CYBMUJFWSA-N -1 0 341.436 3.553 20 0 EHADRM C[C@H](SCCc1cn(CC(=O)[O-])nn1)c1cccc2ccccc21 ZINC000827909000 604802901 /nfs/dbraw/zinc/80/29/01/604802901.db2.gz PTVXSNNRSRLBIO-ZDUSSCGKSA-N -1 0 341.436 3.553 20 0 EHADRM CC(C)=C[C@H]1[C@@H](C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)C1(C)C ZINC000679098141 604810841 /nfs/dbraw/zinc/81/08/41/604810841.db2.gz QNWZUOVRFLOFMA-IRXDYDNUSA-N -1 0 327.424 3.508 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCCc2cccc3ccccc32)cc1F ZINC000833143495 604811245 /nfs/dbraw/zinc/81/12/45/604811245.db2.gz MQUXWUCKWIBRQG-UHFFFAOYSA-N -1 0 337.350 3.650 20 0 EHADRM CC(C)[C@H](OC(=O)CN(C)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000826723005 604819910 /nfs/dbraw/zinc/81/99/10/604819910.db2.gz OJNJZCKFBUEENH-ZDUSSCGKSA-N -1 0 333.306 3.556 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)cc1F ZINC000833308975 604822828 /nfs/dbraw/zinc/82/28/28/604822828.db2.gz IFXDMNRXVFOPBW-CYBMUJFWSA-N -1 0 347.773 3.807 20 0 EHADRM Cc1cc(C)cc(CCC(=O)N[C@H](CC(=O)[O-])c2ccccc2)c1 ZINC000190475891 604833070 /nfs/dbraw/zinc/83/30/70/604833070.db2.gz PVFPCNUITKGNJC-GOSISDBHSA-N -1 0 325.408 3.568 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N1CC[C@H](C)C2(CCC2)C1)C(=O)[O-] ZINC000833545079 604836424 /nfs/dbraw/zinc/83/64/24/604836424.db2.gz CZOCGOJTRXDPLA-UONOGXRCSA-N -1 0 347.480 3.904 20 0 EHADRM C[C@@H](CSCc1ccccc1)C(=O)OCc1cc(C(=O)[O-])co1 ZINC000827581707 604841832 /nfs/dbraw/zinc/84/18/32/604841832.db2.gz PVAHXZBQZFPLKZ-LBPRGKRZSA-N -1 0 334.393 3.591 20 0 EHADRM Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1C ZINC000832910714 604850652 /nfs/dbraw/zinc/85/06/52/604850652.db2.gz BYUDVFSPQPXBIX-GFCCVEGCSA-N -1 0 344.338 3.569 20 0 EHADRM O=C([O-])c1ccc(C(=O)OCc2cc(-c3ccccc3)no2)cc1F ZINC000833353007 604851602 /nfs/dbraw/zinc/85/16/02/604851602.db2.gz MWYGSGYTRSDUPE-UHFFFAOYSA-N -1 0 341.294 3.536 20 0 EHADRM CC(C)(C)c1ncc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC000669434459 604857680 /nfs/dbraw/zinc/85/76/80/604857680.db2.gz GLPKOVNBYXQBSB-GFCCVEGCSA-N -1 0 344.436 3.659 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)[C@H]1CCCc2sccc21)c1ccccc1 ZINC000325875018 604861435 /nfs/dbraw/zinc/86/14/35/604861435.db2.gz MPHWIRQITIXMBP-HOTGVXAUSA-N -1 0 343.448 3.890 20 0 EHADRM C[C@H](C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1F ZINC000669434661 604861571 /nfs/dbraw/zinc/86/15/71/604861571.db2.gz IRZLIKMZXVYZFG-SWLSCSKDSA-N -1 0 327.355 3.534 20 0 EHADRM C[C@H](C(=O)N(C)C1(C(=O)[O-])CCCCC1)c1ccc(Cl)s1 ZINC000191303122 604865237 /nfs/dbraw/zinc/86/52/37/604865237.db2.gz UEJYWDUSNXPIFJ-JTQLQIEISA-N -1 0 329.849 3.751 20 0 EHADRM C/C(=C/C(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F)C1CC1 ZINC000833381402 604881321 /nfs/dbraw/zinc/88/13/21/604881321.db2.gz AYAPSKXIBPPUMS-CKXPSTMWSA-N -1 0 328.286 3.888 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000013427800 604881669 /nfs/dbraw/zinc/88/16/69/604881669.db2.gz CXOKMKHWQIEWMO-HNNXBMFYSA-N -1 0 341.338 3.826 20 0 EHADRM CCCCc1ccc(CC(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000327303342 604882811 /nfs/dbraw/zinc/88/28/11/604882811.db2.gz NRLQPDBXFICIJW-LJQANCHMSA-N -1 0 339.435 3.904 20 0 EHADRM CCCCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000324107695 604885509 /nfs/dbraw/zinc/88/55/09/604885509.db2.gz MUMUTSFSGBMEJS-GOSISDBHSA-N -1 0 325.408 3.975 20 0 EHADRM CC[C@H](OC(=O)c1ccc(C(=O)[O-])c(F)c1)c1cccc(OC)c1 ZINC000829005146 604885488 /nfs/dbraw/zinc/88/54/88/604885488.db2.gz VYACUOGWXWJDLH-INIZCTEOSA-N -1 0 332.327 3.841 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cc3cccc(F)c3o2)C1 ZINC000679102909 604891155 /nfs/dbraw/zinc/89/11/55/604891155.db2.gz KJRKRSKEMHXTSK-GFCCVEGCSA-N -1 0 333.359 3.535 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)NCC2CCCCC2)cc1Cl ZINC000833258106 604910395 /nfs/dbraw/zinc/91/03/95/604910395.db2.gz YEUYCWVBNIVTDZ-UHFFFAOYSA-N -1 0 340.807 3.505 20 0 EHADRM O=C([O-])c1cncc(NC(=O)[C@@H](Oc2ccccc2)c2ccccc2)c1 ZINC000833337583 604912021 /nfs/dbraw/zinc/91/20/21/604912021.db2.gz HRKJBIAJBXBLLP-SFHVURJKSA-N -1 0 348.358 3.539 20 0 EHADRM CN(Cc1ccc2ccccc2c1)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000830840683 604919366 /nfs/dbraw/zinc/91/93/66/604919366.db2.gz QMAQRBOISHXYPE-UHFFFAOYSA-N -1 0 337.350 3.949 20 0 EHADRM CCc1nc([C@H](C)n2cnc3cc(C)c(C)cc32)sc1C(=O)[O-] ZINC000833673709 604923999 /nfs/dbraw/zinc/92/39/99/604923999.db2.gz MJXIBUORDMDLHM-NSHDSACASA-N -1 0 329.425 3.980 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1F ZINC000833309239 604944173 /nfs/dbraw/zinc/94/41/73/604944173.db2.gz ASXLLHIQDMBPLY-MRXNPFEDSA-N -1 0 331.318 3.640 20 0 EHADRM CC(C)CC[C@@H]1CCCN1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000826845566 604946065 /nfs/dbraw/zinc/94/60/65/604946065.db2.gz XESCEJSNPGEYIA-HNNXBMFYSA-N -1 0 334.416 3.583 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NCc1noc(C2CCCCC2)n1)c1ccccc1 ZINC000833407353 604954926 /nfs/dbraw/zinc/95/49/26/604954926.db2.gz NGRBWOQDHSYWPM-SUMWQHHRSA-N -1 0 343.427 3.669 20 0 EHADRM CCC[C@H](C)[C@@H]1CCCN1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000829208636 604956759 /nfs/dbraw/zinc/95/67/59/604956759.db2.gz NOLGIKYCICSMTC-BBRMVZONSA-N -1 0 333.432 3.887 20 0 EHADRM C[C@@H](c1ccco1)N(C(=O)Nc1nc(CCC(=O)[O-])cs1)C1CC1 ZINC000827958504 604991605 /nfs/dbraw/zinc/99/16/05/604991605.db2.gz WFEDDTGEPQCPFQ-JTQLQIEISA-N -1 0 349.412 3.511 20 0 EHADRM CCc1nc(NC(=O)c2cnc3ccccc3c2C)sc1C(=O)[O-] ZINC000833674845 604993366 /nfs/dbraw/zinc/99/33/66/604993366.db2.gz GCSAPOVSDPZCPT-UHFFFAOYSA-N -1 0 341.392 3.513 20 0 EHADRM Cc1nc(NC(=O)N2CCC[C@@H]2CC(=O)[O-])sc1-c1ccccc1 ZINC000833002594 605012742 /nfs/dbraw/zinc/01/27/42/605012742.db2.gz BCPFPYPEDCHCQQ-CYBMUJFWSA-N -1 0 345.424 3.590 20 0 EHADRM CC(C)(C)OCc1ccccc1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000819927828 605014608 /nfs/dbraw/zinc/01/46/08/605014608.db2.gz UODRIIFSXMBDKT-UHFFFAOYSA-N -1 0 341.407 3.881 20 0 EHADRM Cc1scc(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)c1C ZINC000263546848 605015374 /nfs/dbraw/zinc/01/53/74/605015374.db2.gz UMJSPSSQTCCCSO-OAHLLOKOSA-N -1 0 331.437 3.571 20 0 EHADRM CC(C)n1cccc1C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000833513886 605039743 /nfs/dbraw/zinc/03/97/43/605039743.db2.gz ZENXIDQDJFBXDC-CQSZACIVSA-N -1 0 334.803 3.668 20 0 EHADRM C[C@@H](C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21)c1c(F)cccc1F ZINC000669433976 605046940 /nfs/dbraw/zinc/04/69/40/605046940.db2.gz CLKFHHONPTZZOQ-YPMHNXCESA-N -1 0 345.345 3.673 20 0 EHADRM CC(C)CNc1nnc(SCc2ccccc2CC(=O)[O-])s1 ZINC000833489108 605057465 /nfs/dbraw/zinc/05/74/65/605057465.db2.gz NBCNRNCBYXXNFB-UHFFFAOYSA-N -1 0 337.470 3.525 20 0 EHADRM CC(C)(C)[C@H](NC(=O)Cc1csc2ccc(Cl)cc12)C(=O)[O-] ZINC000683308757 605069616 /nfs/dbraw/zinc/06/96/16/605069616.db2.gz UAUDNLUGESPVPC-CQSZACIVSA-N -1 0 339.844 3.713 20 0 EHADRM CC(C)[C@H]1C[C@@H](CC(=O)N2CCCc3c(C(=O)[O-])cccc32)CCO1 ZINC000833472462 605070194 /nfs/dbraw/zinc/07/01/94/605070194.db2.gz SONMPWRRAAIQMX-KBXCAEBGSA-N -1 0 345.439 3.505 20 0 EHADRM CC(C)[C@H]1C[C@H](CC(=O)N2CCCc3c(C(=O)[O-])cccc32)CCO1 ZINC000833472472 605070411 /nfs/dbraw/zinc/07/04/11/605070411.db2.gz SONMPWRRAAIQMX-RDTXWAMCSA-N -1 0 345.439 3.505 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC000191520032 605083212 /nfs/dbraw/zinc/08/32/12/605083212.db2.gz SIORLNGAZRXZBX-LPHOPBHVSA-N -1 0 339.435 3.773 20 0 EHADRM C[C@@H](OC(=O)c1ccc(OC2CCCC2)nc1)c1ccc(C(=O)[O-])o1 ZINC000833534483 605085033 /nfs/dbraw/zinc/08/50/33/605085033.db2.gz CGVUNKOHIHBIFX-LLVKDONJSA-N -1 0 345.351 3.612 20 0 EHADRM CCCN(C(=O)C1CCC(C(=O)[O-])CC1)[C@@H]1CCc2ccccc21 ZINC000833651660 605085047 /nfs/dbraw/zinc/08/50/47/605085047.db2.gz UESZPWIJXLPFJM-LEOMRAHMSA-N -1 0 329.440 3.804 20 0 EHADRM CC(C)COc1ccc([C@@H](C)NC(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000194434929 605089482 /nfs/dbraw/zinc/08/94/82/605089482.db2.gz LJKQRBNZVHOVJS-ODIFPOPNSA-N -1 0 347.455 3.790 20 0 EHADRM C[C@@H]1CC[C@]2(CCN(C(=O)Nc3cc(C(=O)[O-])c(F)cc3F)C2)C1 ZINC000833609203 605091511 /nfs/dbraw/zinc/09/15/11/605091511.db2.gz GHFXNWHTBZVPAF-QGHHPUGFSA-N -1 0 338.354 3.707 20 0 EHADRM CC(C)OC1CCC(NC(=O)Nc2ccc(CCC(=O)[O-])cc2)CC1 ZINC000833503814 605101854 /nfs/dbraw/zinc/10/18/54/605101854.db2.gz JKNINRXPIBHVMT-UHFFFAOYSA-N -1 0 348.443 3.562 20 0 EHADRM CN(C(=O)c1cncc(C(=O)[O-])c1)c1ccc(Oc2ccccc2)cc1 ZINC000833688349 605107564 /nfs/dbraw/zinc/10/75/64/605107564.db2.gz MLPPUCPHXXGTEO-UHFFFAOYSA-N -1 0 348.358 3.849 20 0 EHADRM CC(C)(C)Oc1ccncc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000833447590 605114099 /nfs/dbraw/zinc/11/40/99/605114099.db2.gz WOTOHJFMRWTUMX-UHFFFAOYSA-N -1 0 342.395 3.528 20 0 EHADRM C[C@H]1CC[C@@H](NC(=O)NCCCCCCC(=O)[O-])c2ccccc21 ZINC000833603615 605123639 /nfs/dbraw/zinc/12/36/39/605123639.db2.gz LYBIGOCDSQQJAZ-WMLDXEAASA-N -1 0 332.444 3.959 20 0 EHADRM CCCN(CCC)C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000050208716 605130038 /nfs/dbraw/zinc/13/00/38/605130038.db2.gz BAYNMOMFYJQFED-UHFFFAOYSA-N -1 0 343.221 3.801 20 0 EHADRM CCOc1cc(Cl)ccc1CN[C@H](C(=O)[O-])c1ccccc1F ZINC000833660256 605141809 /nfs/dbraw/zinc/14/18/09/605141809.db2.gz HSRLDQDSGRQZKM-INIZCTEOSA-N -1 0 337.778 3.793 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)(F)F)C1 ZINC000833601211 605147282 /nfs/dbraw/zinc/14/72/82/605147282.db2.gz KGLOYOTVTFJSNX-NXEZZACHSA-N -1 0 345.317 3.701 20 0 EHADRM CC(C)(C)C[C@@H](Sc1n[nH]c(C=Cc2ccccc2)n1)C(=O)[O-] ZINC000833429849 605149975 /nfs/dbraw/zinc/14/99/75/605149975.db2.gz PPHWRLRZAZYRER-WTNCMQEWSA-N -1 0 331.441 3.957 20 0 EHADRM COc1ccc(CCCC(=O)Nc2scc(C(=O)[O-])c2C)cc1 ZINC000833731558 605157646 /nfs/dbraw/zinc/15/76/46/605157646.db2.gz JMRGUGMOYFBFJV-UHFFFAOYSA-N -1 0 333.409 3.725 20 0 EHADRM C[C@@H](Nc1ccc(C(=O)[O-])nn1)[C@H](C)c1ccccc1C(F)(F)F ZINC000833524677 605158715 /nfs/dbraw/zinc/15/87/15/605158715.db2.gz HVWOKERLWMHROY-VHSXEESVSA-N -1 0 339.317 3.798 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC000833598193 605169967 /nfs/dbraw/zinc/16/99/67/605169967.db2.gz PJFRZRCLQFMBMJ-MEDUHNTESA-N -1 0 343.358 3.534 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC000833598192 605170147 /nfs/dbraw/zinc/17/01/47/605170147.db2.gz PJFRZRCLQFMBMJ-BZNIZROVSA-N -1 0 343.358 3.534 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000262865224 605171816 /nfs/dbraw/zinc/17/18/16/605171816.db2.gz VWPGONSOTFNTAU-GOSISDBHSA-N -1 0 341.382 3.650 20 0 EHADRM CC(C)C[C@@H](NC(=O)Nc1cncc(C(=O)[O-])c1)c1ccccc1 ZINC000833482914 605174462 /nfs/dbraw/zinc/17/44/62/605174462.db2.gz UJMCVYFWUORXLY-MRXNPFEDSA-N -1 0 327.384 3.689 20 0 EHADRM CC(C)C[C@H](OC(=O)c1coc(-c2ccccc2Cl)n1)C(=O)[O-] ZINC000833480698 605187154 /nfs/dbraw/zinc/18/71/54/605187154.db2.gz QUXJVWCUJAXDOC-ZDUSSCGKSA-N -1 0 337.759 3.651 20 0 EHADRM C[C@H]1CCC[C@H](C(=O)OCc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000833612965 605189940 /nfs/dbraw/zinc/18/99/40/605189940.db2.gz VINCXTPEWZRZFJ-WFASDCNBSA-N -1 0 343.379 3.909 20 0 EHADRM C[C@H]1CC[C@@H](CC(=O)OCc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000833605475 605190879 /nfs/dbraw/zinc/19/08/79/605190879.db2.gz ZRWQBIWJSIZDNE-QWHCGFSZSA-N -1 0 343.379 3.909 20 0 EHADRM CC(C)CCCS[C@H](C(=O)N1CCC(C(=O)[O-])CC1)C(C)C ZINC000833481090 605208974 /nfs/dbraw/zinc/20/89/74/605208974.db2.gz QUNQNQBHEVPLNL-HNNXBMFYSA-N -1 0 329.506 3.504 20 0 EHADRM C[C@H](Nc1ccc(CN(C)C(=O)[O-])cc1)c1nc2ccccc2n1C ZINC000833527350 605219170 /nfs/dbraw/zinc/21/91/70/605219170.db2.gz YBVJICQHNISXEL-ZDUSSCGKSA-N -1 0 338.411 3.856 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2ccc(-c3nccs3)cc2)CC1 ZINC000194384086 605220084 /nfs/dbraw/zinc/22/00/84/605220084.db2.gz HQHHXTOVSZXYRZ-UHFFFAOYSA-N -1 0 330.409 3.640 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000431215302 605229961 /nfs/dbraw/zinc/22/99/61/605229961.db2.gz CEYKYLNXPRSNKW-QFBILLFUSA-N -1 0 339.435 3.978 20 0 EHADRM CC(C)c1nccn1Cc1cccc(NC2CCN(C(=O)[O-])CC2)c1 ZINC000824495073 605239031 /nfs/dbraw/zinc/23/90/31/605239031.db2.gz FDAURVPWWIXAAM-UHFFFAOYSA-N -1 0 342.443 3.609 20 0 EHADRM CC(C)(CNC(=O)Cc1ccccc1C(=O)[O-])c1ccccc1Cl ZINC000262117972 605243910 /nfs/dbraw/zinc/24/39/10/605243910.db2.gz FZZGWAYXAGMCRK-UHFFFAOYSA-N -1 0 345.826 3.675 20 0 EHADRM CC(C)[C@H](C(=O)Nc1ccc(C(=O)[O-])nc1)c1cccc(Cl)c1 ZINC000833465043 605253754 /nfs/dbraw/zinc/25/37/54/605253754.db2.gz HDDDAECMVPJHFT-HNNXBMFYSA-N -1 0 332.787 3.812 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000833641682 605260451 /nfs/dbraw/zinc/26/04/51/605260451.db2.gz MOZLGGMHUUESSZ-UHFFFAOYSA-N -1 0 333.363 3.642 20 0 EHADRM CC(C)(C)c1ccc([C@H]2CCCN2C(=O)c2cc(C(=O)[O-])no2)cc1 ZINC000833449878 605263139 /nfs/dbraw/zinc/26/31/39/605263139.db2.gz DCKHBLSQVSRIBY-OAHLLOKOSA-N -1 0 342.395 3.648 20 0 EHADRM COCCC[C@@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC000833725460 605290387 /nfs/dbraw/zinc/29/03/87/605290387.db2.gz YVCKMCITPLTXLP-LLVKDONJSA-N -1 0 339.457 3.716 20 0 EHADRM C/C(=C/COC(=O)c1c(C)cc(Br)cc1Cl)C(=O)[O-] ZINC000833385392 605316466 /nfs/dbraw/zinc/31/64/66/605316466.db2.gz SISBCKALLPLEJU-CLTKARDFSA-N -1 0 347.592 3.599 20 0 EHADRM Cc1cc(C(=O)NCCc2cc3ccccc3o2)ccc1NC(=O)[O-] ZINC000829951159 605316815 /nfs/dbraw/zinc/31/68/15/605316815.db2.gz WHODTYVAPAOUDJ-UHFFFAOYSA-N -1 0 338.363 3.804 20 0 EHADRM C[C@H]1CCC[C@@H]1C(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC000833607801 605340823 /nfs/dbraw/zinc/34/08/23/605340823.db2.gz HBLLZCMEGSBBQN-AAEUAGOBSA-N -1 0 344.436 3.812 20 0 EHADRM C[C@H]1CCC[C@H]1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000833608603 605361434 /nfs/dbraw/zinc/36/14/34/605361434.db2.gz NNCRZRFZCHKJMV-QWHCGFSZSA-N -1 0 327.380 3.678 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@@H]2CCCOc3c(F)cccc32)cc1 ZINC000834255755 605405313 /nfs/dbraw/zinc/40/53/13/605405313.db2.gz JODMWFIIDUACBE-OAHLLOKOSA-N -1 0 344.342 3.559 20 0 EHADRM CN(C(=O)CC[C@H]1CCN(C(=O)[O-])C1)c1cccc2ccccc21 ZINC000833870266 605423681 /nfs/dbraw/zinc/42/36/81/605423681.db2.gz XXKLXWDDPLLFKH-AWEZNQCLSA-N -1 0 326.396 3.583 20 0 EHADRM O=C([O-])Nc1cccc(COC(=O)C=Cc2ccc(Cl)nc2)c1 ZINC000834269936 605428932 /nfs/dbraw/zinc/42/89/32/605428932.db2.gz XSBKXRJPBXACAZ-FNORWQNLSA-N -1 0 332.743 3.582 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000192889455 605445767 /nfs/dbraw/zinc/44/57/67/605445767.db2.gz MSZMFSGJPPCGJE-HNNXBMFYSA-N -1 0 325.408 3.830 20 0 EHADRM O=C([O-])N1CC[C@H](CCC(=O)N2CCC[C@H](c3ccccc3)CC2)C1 ZINC000834075713 605454717 /nfs/dbraw/zinc/45/47/17/605454717.db2.gz LKPPVMHJHQGQRN-WMZOPIPTSA-N -1 0 344.455 3.563 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000825832954 605475467 /nfs/dbraw/zinc/47/54/67/605475467.db2.gz WVDJGIRUQFKIRT-SCZZXKLOSA-N -1 0 346.214 3.646 20 0 EHADRM O=C([O-])N1CC[C@@H](CCC(=O)N2CCCCC[C@H]2c2ccco2)C1 ZINC000834073310 605476137 /nfs/dbraw/zinc/47/61/37/605476137.db2.gz CFLGUGRDMJCHFD-CABCVRRESA-N -1 0 334.416 3.503 20 0 EHADRM O=C([O-])N[C@@H](Cc1nc(-c2ccccc2Cl)no1)c1ccccc1 ZINC000832149169 605476551 /nfs/dbraw/zinc/47/65/51/605476551.db2.gz XALIHDOBCSUCMG-AWEZNQCLSA-N -1 0 343.770 3.941 20 0 EHADRM Cc1ccc2cc(-c3nc(C4(NC(=O)[O-])CCCC4)no3)ccc2n1 ZINC000830453945 605476611 /nfs/dbraw/zinc/47/66/11/605476611.db2.gz VQCCISXDGNMVRY-UHFFFAOYSA-N -1 0 338.367 3.630 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1c1nc(-c2ccc(F)cc2)cs1 ZINC000825844771 605484581 /nfs/dbraw/zinc/48/45/81/605484581.db2.gz LOEVPKXNTVVBAS-MFKMUULPSA-N -1 0 335.404 3.574 20 0 EHADRM O=C([O-])Nc1cccc(-c2noc(-c3nc(Cl)ccc3F)n2)c1 ZINC000834264077 605489822 /nfs/dbraw/zinc/48/98/22/605489822.db2.gz ZIHQIVVESCMXHG-UHFFFAOYSA-N -1 0 334.694 3.681 20 0 EHADRM O=C([O-])N[C@@H](CC(=O)N1CCC[C@H]1c1cccs1)c1ccccc1 ZINC000832094718 605569533 /nfs/dbraw/zinc/56/95/33/605569533.db2.gz WHSNDRXBTHORPF-GJZGRUSLSA-N -1 0 344.436 3.811 20 0 EHADRM Cc1cc(C(=O)Nc2ccccc2OC(F)F)ccc1NC(=O)[O-] ZINC000829965777 605572909 /nfs/dbraw/zinc/57/29/09/605572909.db2.gz IQEHFROEEJSVAW-UHFFFAOYSA-N -1 0 336.294 3.939 20 0 EHADRM COc1cc(C(C)=O)ccc1OC(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000829086741 605575108 /nfs/dbraw/zinc/57/51/08/605575108.db2.gz IQNHVEFZFKGRLH-UHFFFAOYSA-N -1 0 343.335 3.515 20 0 EHADRM CCOc1cc(C)ccc1NC(=O)C[C@@H](NC(=O)[O-])c1ccccc1 ZINC000827414259 605591973 /nfs/dbraw/zinc/59/19/73/605591973.db2.gz XVLUALUHERVGBT-MRXNPFEDSA-N -1 0 342.395 3.731 20 0 EHADRM O=C([O-])N[C@H](CC(=O)Nc1cccc2cnccc21)c1ccccc1 ZINC000834131966 605630140 /nfs/dbraw/zinc/63/01/40/605630140.db2.gz YHWNLRIGZNMMRC-QGZVFWFLSA-N -1 0 335.363 3.572 20 0 EHADRM CCOCc1cccc(NC(=O)c2ccc(NC(=O)[O-])c(C)c2)c1 ZINC000827409873 605666399 /nfs/dbraw/zinc/66/63/99/605666399.db2.gz TUCMJVOEWAMYOV-UHFFFAOYSA-N -1 0 328.368 3.874 20 0 EHADRM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000833606863 605675700 /nfs/dbraw/zinc/67/57/00/605675700.db2.gz WYNPDZZMMNEPBB-KOLCDFICSA-N -1 0 330.306 3.580 20 0 EHADRM Cc1cc(C(=O)N2CCCN(C)c3ccccc32)ccc1NC(=O)[O-] ZINC000829929995 605697113 /nfs/dbraw/zinc/69/71/13/605697113.db2.gz GLJNWKHIQFLXRM-UHFFFAOYSA-N -1 0 339.395 3.572 20 0 EHADRM CCOc1ccc(N(C)C(=O)c2ccc(NC(=O)[O-])c(C)c2)cc1 ZINC000827434174 605697298 /nfs/dbraw/zinc/69/72/98/605697298.db2.gz QJHYOZJUEGJIFO-UHFFFAOYSA-N -1 0 328.368 3.760 20 0 EHADRM Cc1cc(C(=O)N2C[C@@H](C)Oc3cc(F)ccc32)ccc1NC(=O)[O-] ZINC000829918969 605701930 /nfs/dbraw/zinc/70/19/30/605701930.db2.gz DDZPJQURDDJANR-LLVKDONJSA-N -1 0 344.342 3.652 20 0 EHADRM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000833603868 605707566 /nfs/dbraw/zinc/70/75/66/605707566.db2.gz BWKHVLBTQDCRSF-GXSJLCMTSA-N -1 0 330.306 3.580 20 0 EHADRM CCS[C@@H]1CCC[C@H](NC(=O)c2ccc(NC(=O)[O-])c(C)c2)C1 ZINC000827495298 605707609 /nfs/dbraw/zinc/70/76/09/605707609.db2.gz IMBFSQODPAMVSO-UONOGXRCSA-N -1 0 336.457 3.879 20 0 EHADRM CC(C)COCCC(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833488938 605713086 /nfs/dbraw/zinc/71/30/86/605713086.db2.gz RXPIKXKODHHEBI-AWEZNQCLSA-N -1 0 349.210 3.725 20 0 EHADRM CC(C)CCO[C@@H](C)c1nc([C@H]2CCCCCN2C(=O)[O-])no1 ZINC000833794637 605721619 /nfs/dbraw/zinc/72/16/19/605721619.db2.gz PDMKJBSOXWJSIT-QWHCGFSZSA-N -1 0 325.409 3.788 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N1CC2(C1)CCCCC2)C(=O)[O-] ZINC000365334507 605775515 /nfs/dbraw/zinc/77/55/15/605775515.db2.gz QTQINFOHELIKNE-CYBMUJFWSA-N -1 0 333.453 3.658 20 0 EHADRM C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)CCCC(=O)[O-])c2)C1 ZINC000753975874 605779035 /nfs/dbraw/zinc/77/90/35/605779035.db2.gz HIXNPMPSLWUIHJ-PBHICJAKSA-N -1 0 333.428 3.975 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)/C=C\Sc2ccccc2)c(F)c1 ZINC000833776444 605797894 /nfs/dbraw/zinc/79/78/94/605797894.db2.gz JDIKQEHZSHBVFH-HJWRWDBZSA-N -1 0 332.352 3.664 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)[C@@H](c2ccccc2)C2CC2)c(F)c1 ZINC000833775388 605797953 /nfs/dbraw/zinc/79/79/53/605797953.db2.gz GTIJSXXLRVTRQF-SFHVURJKSA-N -1 0 328.339 3.552 20 0 EHADRM O=C([O-])N[C@H]1C[C@H](NCc2cc(-c3ccccc3)on2)c2ccccc21 ZINC000834159844 605798509 /nfs/dbraw/zinc/79/85/09/605798509.db2.gz YTXKNRDBKOGLTM-ROUUACIJSA-N -1 0 349.390 3.885 20 0 EHADRM CC1(C)CN(C(=O)c2ccc(NC(=O)[O-])cc2)c2ccccc2O1 ZINC000825735110 605805520 /nfs/dbraw/zinc/80/55/20/605805520.db2.gz VURHALNULMRVQH-UHFFFAOYSA-N -1 0 326.352 3.594 20 0 EHADRM Cc1cc(C(=O)N2CCCc3sccc3C2)ccc1NC(=O)[O-] ZINC000829929730 605811141 /nfs/dbraw/zinc/81/11/41/605811141.db2.gz BRVPHLZOCJKBCD-UHFFFAOYSA-N -1 0 330.409 3.735 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)NC2(Cc3ccccc3)CCC2)c1 ZINC000834265014 605816369 /nfs/dbraw/zinc/81/63/69/605816369.db2.gz KBEMUFQIUIBSBI-UHFFFAOYSA-N -1 0 338.407 3.601 20 0 EHADRM CCCN(C(=O)c1cc2cccc(C)c2o1)C1CCN(C(=O)[O-])CC1 ZINC000826883890 605823381 /nfs/dbraw/zinc/82/33/81/605823381.db2.gz COSBEGOPCWZVHH-UHFFFAOYSA-N -1 0 344.411 3.736 20 0 EHADRM CC(C)c1nc([C@@H]2CCCN2Cc2cc(C(=O)[O-])ccc2Cl)no1 ZINC000833512385 605831839 /nfs/dbraw/zinc/83/18/39/605831839.db2.gz OHXOAIZYBHPTEO-AWEZNQCLSA-N -1 0 349.818 3.882 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)C(C)(C)CCCc1ccccc1 ZINC000825803194 605851805 /nfs/dbraw/zinc/85/18/05/605851805.db2.gz ZANMXROIAZTZSO-WBVHZDCISA-N -1 0 346.471 3.683 20 0 EHADRM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)c1sccc1-c1ccccc1 ZINC000825846439 605854309 /nfs/dbraw/zinc/85/43/09/605854309.db2.gz UWFZEAYEGSAQNA-GXTWGEPZSA-N -1 0 344.436 3.676 20 0 EHADRM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000825831179 605864987 /nfs/dbraw/zinc/86/49/87/605864987.db2.gz KINUAMWWTHBAAY-KBXCAEBGSA-N -1 0 338.407 3.614 20 0 EHADRM O=C([O-])NCCCCC(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000834235625 605898247 /nfs/dbraw/zinc/89/82/47/605898247.db2.gz KNZMMXSCKWILBD-GFCCVEGCSA-N -1 0 345.226 3.535 20 0 EHADRM Cc1nc(NC(=O)[O-])sc1C(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000833913951 605941479 /nfs/dbraw/zinc/94/14/79/605941479.db2.gz NMBBGCMNSKRUKT-CYBMUJFWSA-N -1 0 345.424 3.691 20 0 EHADRM O=C([O-])NC[C@@H]1CCCCN1C(=O)Nc1cccc2ccsc21 ZINC000834219300 605963382 /nfs/dbraw/zinc/96/33/82/605963382.db2.gz KWHWSPCRHPMGFP-LBPRGKRZSA-N -1 0 333.413 3.555 20 0 EHADRM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2Cc1csc(-c2ccsc2)n1 ZINC000834096227 605965841 /nfs/dbraw/zinc/96/58/41/605965841.db2.gz UCTXYDAYCBFVBY-KGLIPLIRSA-N -1 0 349.481 3.588 20 0 EHADRM COc1ccc(NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)cc1NC(=O)[O-] ZINC000833888475 605969052 /nfs/dbraw/zinc/96/90/52/605969052.db2.gz BWYHOHNKCDTMAG-WHOFXGATSA-N -1 0 347.415 3.828 20 0 EHADRM O=C([O-])Nc1cccc(CCCOC(=O)c2cccc(Cl)n2)c1 ZINC000834268761 606023353 /nfs/dbraw/zinc/02/33/53/606023353.db2.gz KYSLBVOWQOCYBZ-UHFFFAOYSA-N -1 0 334.759 3.615 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)/C=C\c2ccc3[nH]ccc3c2)c1 ZINC000834247623 606044731 /nfs/dbraw/zinc/04/47/31/606044731.db2.gz PCQZERGZFZWXQU-ALCCZGGFSA-N -1 0 335.363 3.587 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2nnc(C3CCCCC3)s2)c1 ZINC000740037914 606070880 /nfs/dbraw/zinc/07/08/80/606070880.db2.gz YYRUFLZNBVMLJE-UHFFFAOYSA-N -1 0 346.412 3.928 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)Nc1ccc(O)c2ccccc12 ZINC000834273996 606098075 /nfs/dbraw/zinc/09/80/75/606098075.db2.gz RAROZKDFBIGJGU-UHFFFAOYSA-N -1 0 336.347 3.817 20 0 EHADRM CSc1ccc(Cl)c(C(=O)NCCc2ccccc2C(=O)[O-])c1 ZINC000321369085 970765010 /nfs/dbraw/zinc/76/50/10/970765010.db2.gz FRODLBNYOQCQPL-UHFFFAOYSA-N -1 0 349.839 3.733 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2ccc(Cl)cc2Cl)CCCCC1 ZINC000040535843 939031301 /nfs/dbraw/zinc/03/13/01/939031301.db2.gz SDGLBUIBRQSOLE-UHFFFAOYSA-N -1 0 331.199 3.902 20 0 EHADRM CCO[C@H]1C[C@@](NC(=O)CCCC2CCCCC2)(C(=O)[O-])C1(C)C ZINC000193049208 939041444 /nfs/dbraw/zinc/04/14/44/939041444.db2.gz VUVIYLWQYQPEHH-HNAYVOBHSA-N -1 0 339.476 3.512 20 0 EHADRM Cc1cc(C)cc([C@@H](NC(=O)Nc2ccc3c(c2)CCC3)C(=O)[O-])c1 ZINC000684743275 939045146 /nfs/dbraw/zinc/04/51/46/939045146.db2.gz ZJRQRMWSPGYSQE-GOSISDBHSA-N -1 0 338.407 3.740 20 0 EHADRM O=C([O-])C1(NC(=O)c2ccc(SC(F)F)cc2)CCCCC1 ZINC000238095240 939056922 /nfs/dbraw/zinc/05/69/22/939056922.db2.gz SZSAPQXCLXQMBQ-UHFFFAOYSA-N -1 0 329.368 3.519 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CC1=CCCCC1)c1ccc(Cl)c(F)c1 ZINC000262056292 939059008 /nfs/dbraw/zinc/05/90/08/939059008.db2.gz CJMFXNSRKQXIPZ-HNNXBMFYSA-N -1 0 325.767 3.612 20 0 EHADRM C[C@](NC(=O)Nc1ccc2c(c1)oc1ccccc12)(C(=O)[O-])C1CC1 ZINC000780401646 939116786 /nfs/dbraw/zinc/11/67/86/939116786.db2.gz GESIHMJFAJLLLN-LJQANCHMSA-N -1 0 338.363 3.961 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1ccc(F)c(Cl)c1)C1CCCCC1 ZINC000316693265 939122037 /nfs/dbraw/zinc/12/20/37/939122037.db2.gz XFBOTYIRMMYTAV-CYBMUJFWSA-N -1 0 328.771 3.634 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)N[C@@H](C(=O)[O-])c2cccs2)cc1 ZINC000322440818 939125118 /nfs/dbraw/zinc/12/51/18/939125118.db2.gz RTNAFJNLNITUFL-CQSZACIVSA-N -1 0 332.425 3.993 20 0 EHADRM O=C([O-])[C@H](NC(=O)NCc1cccc2ccccc21)c1cccs1 ZINC000325448447 939126926 /nfs/dbraw/zinc/12/69/26/939126926.db2.gz WUZDKSXBEACBFV-MRXNPFEDSA-N -1 0 340.404 3.526 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1[nH]c2ccc(F)cc2c1Cl)c1ccccc1 ZINC000342374332 939128441 /nfs/dbraw/zinc/12/84/41/939128441.db2.gz NKRLTXZRIFQERA-CQSZACIVSA-N -1 0 346.745 3.516 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)NC2(C(=O)[O-])CCCCCC2)cc1C ZINC000347704716 939129236 /nfs/dbraw/zinc/12/92/36/939129236.db2.gz XSQMGKHYGRXZBH-UHFFFAOYSA-N -1 0 345.439 3.560 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1cccc(C(F)F)c1)c1cccs1 ZINC000386407637 939132913 /nfs/dbraw/zinc/13/29/13/939132913.db2.gz JAFLNKTYFCISCY-LLVKDONJSA-N -1 0 326.324 3.633 20 0 EHADRM Cc1cc(C)cc(NC(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)c1 ZINC000788319893 939149875 /nfs/dbraw/zinc/14/98/75/939149875.db2.gz YEBGMFRIBGQVHK-HNNXBMFYSA-N -1 0 334.322 3.529 20 0 EHADRM CC[C@@](NC(=O)/C=C/c1cccs1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000795541322 939157334 /nfs/dbraw/zinc/15/73/34/939157334.db2.gz NECSEKCKQBNQNQ-FVNWOWOISA-N -1 0 349.839 3.921 20 0 EHADRM CCOc1cccc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)c1 ZINC000431862256 939163605 /nfs/dbraw/zinc/16/36/05/939163605.db2.gz XUVNYAOFULENGE-IBGZPJMESA-N -1 0 349.386 3.794 20 0 EHADRM Cc1ccc(CC(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)cc1 ZINC000431860304 939163781 /nfs/dbraw/zinc/16/37/81/939163781.db2.gz UVKOQCMGWCPBNW-HXUWFJFHSA-N -1 0 333.387 3.633 20 0 EHADRM Cc1cccc(CNC(=O)N[C@H](C(=O)[O-])c2cccc3ccccc32)c1 ZINC000797707512 939165185 /nfs/dbraw/zinc/16/51/85/939165185.db2.gz SHTTZNQSQQWXKI-IBGZPJMESA-N -1 0 348.402 3.773 20 0 EHADRM O=C([O-])[C@H](NC(=O)CC1CCC(C(F)(F)F)CC1)c1cccs1 ZINC000448993990 939206292 /nfs/dbraw/zinc/20/62/92/939206292.db2.gz NYNVIWOWGJAZPB-SRHKJQAYSA-N -1 0 349.374 3.749 20 0 EHADRM Cc1cccc([C@H](NC(=O)[C@H]2CCCc3sccc32)C(=O)[O-])c1C ZINC000455936262 939215415 /nfs/dbraw/zinc/21/54/15/939215415.db2.gz UHBFMPYUDOCHAJ-RDJZCZTQSA-N -1 0 343.448 3.727 20 0 EHADRM COc1ccc([C@@H](NC(=O)/C=C(/C)C(C)(C)C)C(=O)[O-])cc1Cl ZINC000836754439 939224845 /nfs/dbraw/zinc/22/48/45/939224845.db2.gz IIWAPZAEDXXKHT-WKTRQSJXSA-N -1 0 339.819 3.583 20 0 EHADRM CC[C@](NC(=O)c1cccc(C)c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507318144 939235031 /nfs/dbraw/zinc/23/50/31/939235031.db2.gz LKWSMEHFCSYXLF-GOSISDBHSA-N -1 0 331.799 3.768 20 0 EHADRM C[C@@H](NC(=O)[C@H](C(=O)[O-])C1CCCC1)c1ccccc1C(F)(F)F ZINC000852946943 939238831 /nfs/dbraw/zinc/23/88/31/939238831.db2.gz GEHMSEMYFKWIAX-QMTHXVAHSA-N -1 0 343.345 3.774 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@@H](C(=O)[O-])C3CCCC3)c2)[nH]c1C ZINC000852951237 939240224 /nfs/dbraw/zinc/24/02/24/939240224.db2.gz PNNKMGLDHWGEFX-INIZCTEOSA-N -1 0 341.411 3.523 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2sccc2C(F)F)C(=O)[O-])c1C ZINC000872729480 939263095 /nfs/dbraw/zinc/26/30/95/939263095.db2.gz UXILTRFXYDLIII-GFCCVEGCSA-N -1 0 339.363 3.858 20 0 EHADRM O=C([O-])[C@H](NC(=O)C1CCCCCC1)c1ccc(OC(F)F)cc1 ZINC000539603890 939283947 /nfs/dbraw/zinc/28/39/47/939283947.db2.gz NGQNNYSYKZRJOE-CQSZACIVSA-N -1 0 341.354 3.500 20 0 EHADRM Cc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)s1 ZINC000559431893 939312941 /nfs/dbraw/zinc/31/29/41/939312941.db2.gz SASHRJSZCCOTQA-LBPRGKRZSA-N -1 0 342.779 3.796 20 0 EHADRM CCCn1ccc2ccc(NC(=O)NC3(C(=O)[O-])CCCC3)cc21 ZINC000561468793 939319457 /nfs/dbraw/zinc/31/94/57/939319457.db2.gz ZCUFOFOIJDROHA-UHFFFAOYSA-N -1 0 329.400 3.570 20 0 EHADRM CCc1ccc(NC(=O)N[C@H](C(=O)[O-])c2cccs2)cc1CC ZINC000565459630 939348872 /nfs/dbraw/zinc/34/88/72/939348872.db2.gz NIBXLXNCZORMRY-HNNXBMFYSA-N -1 0 332.425 3.820 20 0 EHADRM CC[C@@](NC(=O)CC(C)(C)CC(F)(F)F)(C(=O)[O-])c1ccccc1 ZINC000908942059 939359335 /nfs/dbraw/zinc/35/93/35/939359335.db2.gz WMVFJTVJIVLQBR-INIZCTEOSA-N -1 0 345.361 3.861 20 0 EHADRM CCc1ccc(CNC(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)s1 ZINC000570659603 939385245 /nfs/dbraw/zinc/38/52/45/939385245.db2.gz DJRZMWUVYFWDGB-MRXNPFEDSA-N -1 0 346.452 3.552 20 0 EHADRM O=C([O-])[C@@H](NC(=O)C1CC2(CCC2)C1)c1ccc(Cl)cc1Cl ZINC000571449437 939391370 /nfs/dbraw/zinc/39/13/70/939391370.db2.gz SPFSROMVRMUSGW-ZDUSSCGKSA-N -1 0 342.222 3.816 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cccc(OC2CCCC2)c1)c1ccsc1 ZINC000572986478 939404163 /nfs/dbraw/zinc/40/41/63/939404163.db2.gz JJBQXZULBOEOMZ-INIZCTEOSA-N -1 0 345.420 3.625 20 0 EHADRM Cc1cccc(CC(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)c1 ZINC000574953777 939730578 /nfs/dbraw/zinc/73/05/78/939730578.db2.gz LXXBNPVJAXECPT-FQEVSTJZSA-N -1 0 333.387 3.633 20 0 EHADRM CCC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC000575821475 939734364 /nfs/dbraw/zinc/73/43/64/939734364.db2.gz JOWSXPBXEOFSDW-GDBMZVCRSA-N -1 0 346.452 3.584 20 0 EHADRM Cc1cc(C)cc([C@@H](NC(=O)Nc2ccc(C)c(F)c2)C(=O)[O-])c1 ZINC000580871277 939774211 /nfs/dbraw/zinc/77/42/11/939774211.db2.gz HYKMKXCUANAOID-MRXNPFEDSA-N -1 0 330.359 3.698 20 0 EHADRM Cc1cc(C)cc([C@H](NC(=O)Nc2ccc(C)c(F)c2)C(=O)[O-])c1 ZINC000580871276 939774331 /nfs/dbraw/zinc/77/43/31/939774331.db2.gz HYKMKXCUANAOID-INIZCTEOSA-N -1 0 330.359 3.698 20 0 EHADRM CCO[C@@H]1C[C@@](NC(=O)Nc2ccccc2C(C)C)(C(=O)[O-])C1(C)C ZINC000581287885 939776981 /nfs/dbraw/zinc/77/69/81/939776981.db2.gz SLKGMQDPTLXGHD-DNVCBOLYSA-N -1 0 348.443 3.590 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1 ZINC000582463342 939784752 /nfs/dbraw/zinc/78/47/52/939784752.db2.gz ACAVLTLYNVOHGM-YJBOKZPZSA-N -1 0 340.423 3.798 20 0 EHADRM Cc1ccc([C@@H](NC(=O)c2ccsc2C(F)F)C(=O)[O-])cc1C ZINC000923081694 939785169 /nfs/dbraw/zinc/78/51/69/939785169.db2.gz MZMICRVHPAJCOE-GFCCVEGCSA-N -1 0 339.363 3.858 20 0 EHADRM Cc1cc(C)cc([C@@H](NC(=O)c2ccsc2C(F)F)C(=O)[O-])c1 ZINC000923083382 939785429 /nfs/dbraw/zinc/78/54/29/939785429.db2.gz XFPFGYAHZNYCCS-GFCCVEGCSA-N -1 0 339.363 3.858 20 0 EHADRM CC(C)Oc1ccc(NC(=O)NC2(C(=O)[O-])CCCC2)cc1Cl ZINC000583583496 939792022 /nfs/dbraw/zinc/79/20/22/939792022.db2.gz QDGPPRWGWLFGGZ-UHFFFAOYSA-N -1 0 340.807 3.646 20 0 EHADRM C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)NC3(C(=O)[O-])CC3)c2)C1 ZINC000584072339 939795231 /nfs/dbraw/zinc/79/52/31/939795231.db2.gz PUIVWESEAOIXIP-CZUORRHYSA-N -1 0 346.427 3.521 20 0 EHADRM Cc1c(Cl)cc(NC(=O)N[C@](C)(C(=O)[O-])C2CC2)cc1Cl ZINC000584270112 939796595 /nfs/dbraw/zinc/79/65/95/939796595.db2.gz USSPGECBDNPTSJ-AWEZNQCLSA-N -1 0 331.199 3.677 20 0 EHADRM Cc1cc([C@H](C)NC(=O)N[C@H](C(=O)[O-])c2ccsc2)c(C)s1 ZINC000584506926 939798417 /nfs/dbraw/zinc/79/84/17/939798417.db2.gz BXXGMIKZVBTGGX-ZANVPECISA-N -1 0 338.454 3.613 20 0 EHADRM Cc1cc(C)cc([C@H](NC(=O)CC2CCC(F)(F)CC2)C(=O)[O-])c1 ZINC000630187974 939814459 /nfs/dbraw/zinc/81/44/59/939814459.db2.gz CPJFFAMNQOHKRK-INIZCTEOSA-N -1 0 339.382 3.761 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@@H]1CCCC2(CC2)C1)c1ccc(Cl)c(F)c1 ZINC000659140504 939847783 /nfs/dbraw/zinc/84/77/83/939847783.db2.gz PTICDYMQFISRLE-BXUZGUMPSA-N -1 0 339.794 3.691 20 0 EHADRM Cc1csc(-c2ccc(NC(=O)[C@H](C(=O)[O-])C3CCCC3)cc2)n1 ZINC000663034696 939850765 /nfs/dbraw/zinc/85/07/65/939850765.db2.gz SROYOOQOMHTDAO-OAHLLOKOSA-N -1 0 344.436 3.948 20 0 EHADRM Cc1cccc2c1CCC[C@@H]2NC(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000663268262 939859299 /nfs/dbraw/zinc/85/92/99/939859299.db2.gz BFOWUCKYXFISOX-HOCLYGCPSA-N -1 0 344.436 3.559 20 0 EHADRM C[C@@](NC(=O)CCCc1ccc(Cl)cc1)(C(=O)[O-])c1ccccc1 ZINC000675982845 939866205 /nfs/dbraw/zinc/86/62/05/939866205.db2.gz RPQACBJZSNEOQA-IBGZPJMESA-N -1 0 345.826 3.779 20 0 EHADRM CCCc1cc(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)sc1C ZINC000678990175 939869582 /nfs/dbraw/zinc/86/95/82/939869582.db2.gz SHEBJBLIVIXTFZ-HNNXBMFYSA-N -1 0 335.400 3.704 20 0 EHADRM C[C@H](CC(=O)N[C@](C)(C(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000683308409 939870450 /nfs/dbraw/zinc/87/04/50/939870450.db2.gz SKHSRAJVMSIQML-BLVKFPJESA-N -1 0 347.361 3.575 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ccccc1F ZINC000683318022 939870885 /nfs/dbraw/zinc/87/08/85/939870885.db2.gz DWEPOLIUBSZXTB-OEUWWYETSA-N -1 0 333.403 3.674 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)CCc2ccccc2Cl)cc1F ZINC000321805585 970809831 /nfs/dbraw/zinc/80/98/31/970809831.db2.gz YECMPSUHDSPQIU-UHFFFAOYSA-N -1 0 339.725 3.888 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)Nc2cccc(C(=O)[O-])c2C)s1 ZINC000321884471 970819697 /nfs/dbraw/zinc/81/96/97/970819697.db2.gz QRYBQWHQIOSHJE-JTQLQIEISA-N -1 0 332.425 3.816 20 0 EHADRM CC1(C)CCC[C@@H](NC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C1 ZINC000321876403 970819902 /nfs/dbraw/zinc/81/99/02/970819902.db2.gz PKWDPZCIRHBMMP-SECBINFHSA-N -1 0 326.343 3.753 20 0 EHADRM Cc1ccccc1Oc1cccc(NC(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC001600587007 970830408 /nfs/dbraw/zinc/83/04/08/970830408.db2.gz UFXMHDARPFBJNH-CQSZACIVSA-N -1 0 340.379 3.726 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)/C=C\c1ccc(Cl)s1)C2 ZINC000322351772 970875458 /nfs/dbraw/zinc/87/54/58/970875458.db2.gz DQYGRDLNTUKVJV-ALCCZGGFSA-N -1 0 347.823 3.698 20 0 EHADRM C[C@H]1CCN(Cc2coc(-c3cccc(Cl)c3)n2)[C@@H](C(=O)[O-])C1 ZINC000322501301 970895818 /nfs/dbraw/zinc/89/58/18/970895818.db2.gz OBOMCQFHCVCINO-XHDPSFHLSA-N -1 0 334.803 3.680 20 0 EHADRM C[C@H]1CCN(Cc2ncc(-c3cccc(Cl)c3)o2)[C@H](C(=O)[O-])C1 ZINC000322631778 970911984 /nfs/dbraw/zinc/91/19/84/970911984.db2.gz SKOOQOPCCRNTBK-FZMZJTMJSA-N -1 0 334.803 3.680 20 0 EHADRM CCc1ccc(NC(=O)[C@H]2CSc3ccccc32)c(C(=O)[O-])c1 ZINC000323395811 970999456 /nfs/dbraw/zinc/99/94/56/970999456.db2.gz LXVVGYPBDBQUAI-AWEZNQCLSA-N -1 0 327.405 3.775 20 0 EHADRM C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000323459346 971007221 /nfs/dbraw/zinc/00/72/21/971007221.db2.gz VSRWSRCQGCEMRS-BBBLOLIVSA-N -1 0 326.343 3.561 20 0 EHADRM Cc1ccccc1CN(C)c1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC000323552734 971015061 /nfs/dbraw/zinc/01/50/61/971015061.db2.gz SKLLIPZRLAKOQI-UHFFFAOYSA-N -1 0 334.759 3.891 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000323901498 971054835 /nfs/dbraw/zinc/05/48/35/971054835.db2.gz JVXKMZLYBXCVJY-KXKDPZRNSA-N -1 0 335.831 3.893 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)Nc2cccc(F)c2Cl)Cc2ccccc21 ZINC001601844883 971071717 /nfs/dbraw/zinc/07/17/17/971071717.db2.gz QEIXSJAGOYKMET-LBPRGKRZSA-N -1 0 348.761 3.695 20 0 EHADRM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000324262466 971102192 /nfs/dbraw/zinc/10/21/92/971102192.db2.gz JOGYYUVHDIMAFG-LLVKDONJSA-N -1 0 335.366 3.601 20 0 EHADRM CSCCCCCCNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000324425076 971119498 /nfs/dbraw/zinc/11/94/98/971119498.db2.gz SRBIMIDVZARIER-UHFFFAOYSA-N -1 0 346.399 3.708 20 0 EHADRM CCCOc1ccc(NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000324616642 971139724 /nfs/dbraw/zinc/13/97/24/971139724.db2.gz OMLGJEZNBQGYCO-CQSZACIVSA-N -1 0 334.416 3.584 20 0 EHADRM CCOc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1OC ZINC000325107192 971185457 /nfs/dbraw/zinc/18/54/57/971185457.db2.gz XMTJFJMONDODBF-UHFFFAOYSA-N -1 0 349.770 3.698 20 0 EHADRM CCCc1sc(C(=O)NCCc2ccc(C(=O)[O-])cc2)cc1CC ZINC000325123122 971187025 /nfs/dbraw/zinc/18/70/25/971187025.db2.gz YOCCLTMLNCGGHS-UHFFFAOYSA-N -1 0 345.464 3.934 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)Nc1c(F)cccc1Cl)C2 ZINC000325649653 971234321 /nfs/dbraw/zinc/23/43/21/971234321.db2.gz GVZNINKIZCDAIX-UHFFFAOYSA-N -1 0 348.761 3.768 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)c1cc3c(s1)CCCC3)C2 ZINC000325750008 971240388 /nfs/dbraw/zinc/24/03/88/971240388.db2.gz HLHPPTWEGFWZOD-UHFFFAOYSA-N -1 0 341.432 3.524 20 0 EHADRM CCCC[C@H](CC)CNC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000325796424 971243976 /nfs/dbraw/zinc/24/39/76/971243976.db2.gz ZWSZZAIDRWNJKT-AWEZNQCLSA-N -1 0 332.444 3.669 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)Nc1c(F)cccc1C(=O)[O-] ZINC000325823455 971246496 /nfs/dbraw/zinc/24/64/96/971246496.db2.gz UPNHSOBUSBAVNW-UHFFFAOYSA-N -1 0 331.274 3.970 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(Cl)cc1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000326031284 971262315 /nfs/dbraw/zinc/26/23/15/971262315.db2.gz WHGKHMZTHFENSW-SECBINFHSA-N -1 0 348.742 3.689 20 0 EHADRM Cc1cccc(C)c1OCCC(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000326399200 971289651 /nfs/dbraw/zinc/28/96/51/971289651.db2.gz MXEMENDBHYYILZ-UHFFFAOYSA-N -1 0 347.455 3.614 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])cc1 ZINC000326461378 971296179 /nfs/dbraw/zinc/29/61/79/971296179.db2.gz GLKHHOQLXCTLPJ-GOSISDBHSA-N -1 0 337.419 3.808 20 0 EHADRM CCc1ccc(NC(=O)COc2ccc(Cl)c(C)c2)c(C(=O)[O-])c1 ZINC000326553656 971302681 /nfs/dbraw/zinc/30/26/81/971302681.db2.gz BJTCNHQBTOIYIZ-UHFFFAOYSA-N -1 0 347.798 3.927 20 0 EHADRM Cc1c(C(=O)[O-])cc(CNc2ccc(OCC(F)(F)F)cc2)n1C ZINC000326592478 971307479 /nfs/dbraw/zinc/30/74/79/971307479.db2.gz JEQSNWVOOIWJTD-UHFFFAOYSA-N -1 0 342.317 3.585 20 0 EHADRM C[C@@H](CCc1ccccc1)NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000326669710 971315120 /nfs/dbraw/zinc/31/51/20/971315120.db2.gz KDVVLXLIBQPBON-HNNXBMFYSA-N -1 0 340.423 3.548 20 0 EHADRM CCCc1sc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1CC ZINC000326678905 971316379 /nfs/dbraw/zinc/31/63/79/971316379.db2.gz GVRMRLCELVNXPK-OAHLLOKOSA-N -1 0 345.464 3.689 20 0 EHADRM COc1cc(NC(=O)N[C@H](C)c2cccc(Cl)c2)ccc1C(=O)[O-] ZINC000326905377 971343299 /nfs/dbraw/zinc/34/32/99/971343299.db2.gz LWDUBIVNPKXBJY-SNVBAGLBSA-N -1 0 348.786 3.930 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000327165592 971374009 /nfs/dbraw/zinc/37/40/09/971374009.db2.gz XXFJFDYANSAHDA-UHFFFAOYSA-N -1 0 343.310 3.596 20 0 EHADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000327202714 971376157 /nfs/dbraw/zinc/37/61/57/971376157.db2.gz PAQJHJBKDXRKAT-DZGCQCFKSA-N -1 0 340.379 3.806 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)NCc2cccc3ccccc32)cc1 ZINC000327335001 971388730 /nfs/dbraw/zinc/38/87/30/971388730.db2.gz FBQZMKUZQQFLRU-UHFFFAOYSA-N -1 0 334.375 3.789 20 0 EHADRM CCCc1ccccc1NC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000327585473 971409903 /nfs/dbraw/zinc/40/99/03/971409903.db2.gz XMPNRERYWOPCLC-QGZVFWFLSA-N -1 0 338.407 3.855 20 0 EHADRM COc1ccc(NC(=O)c2ccc(F)c3ccccc23)c(C(=O)[O-])c1 ZINC000327715107 971420745 /nfs/dbraw/zinc/42/07/45/971420745.db2.gz ANYLJEXIFUTAHR-UHFFFAOYSA-N -1 0 339.322 3.938 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)[C@@H]1CCc2ccccc2C1)c1ccccc1 ZINC000328034439 971442953 /nfs/dbraw/zinc/44/29/53/971442953.db2.gz LLHLGCTXNOSLQC-RTBURBONSA-N -1 0 337.419 3.514 20 0 EHADRM C[C@@H](C(=O)[O-])N1CCCc2c(NC(=O)CC3CCCCC3)cccc21 ZINC000341482817 971517460 /nfs/dbraw/zinc/51/74/60/971517460.db2.gz FUUXSLPDWVZLRB-AWEZNQCLSA-N -1 0 344.455 3.821 20 0 EHADRM CSc1ccc(F)cc1CNC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000342518806 971517763 /nfs/dbraw/zinc/51/77/63/971517763.db2.gz WVNOATVFTDTGBX-UHFFFAOYSA-N -1 0 339.432 3.589 20 0 EHADRM Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000342609270 971518852 /nfs/dbraw/zinc/51/88/52/971518852.db2.gz UVKDPPLJNGKEHL-ZDUSSCGKSA-N -1 0 349.475 3.549 20 0 EHADRM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCCCC(=O)[O-] ZINC000064873456 948970875 /nfs/dbraw/zinc/97/08/75/948970875.db2.gz UHKURZHXJKRKML-AWEZNQCLSA-N -1 0 335.444 3.513 20 0 EHADRM CCCC[C@@H](NC(=O)CCOc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000347268595 971523062 /nfs/dbraw/zinc/52/30/62/971523062.db2.gz YUHAIBAPIUVGFN-GFCCVEGCSA-N -1 0 348.226 3.522 20 0 EHADRM Cc1ccc2cc(C(=O)N[C@H](CC(=O)[O-])c3ccc(F)cc3)[nH]c2c1 ZINC000347851197 971526504 /nfs/dbraw/zinc/52/65/04/971526504.db2.gz NZGBLGZTKXOIAK-MRXNPFEDSA-N -1 0 340.354 3.561 20 0 EHADRM Cc1cc2occ(CC(=O)N3CCCC[C@@H]3C(=O)[O-])c2cc1C(C)C ZINC000351877480 971528740 /nfs/dbraw/zinc/52/87/40/971528740.db2.gz PTYMPEKAMVXPFZ-QGZVFWFLSA-N -1 0 343.423 3.873 20 0 EHADRM CCCN(C(=O)c1cc(C(=O)[O-])co1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000352390201 971529053 /nfs/dbraw/zinc/52/90/53/971529053.db2.gz CLLPKKMFDUBNRI-HZPDHXFCSA-N -1 0 349.427 3.568 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)[C@H](C)Cc2cccc(Cl)c2)C1 ZINC001589583833 949020513 /nfs/dbraw/zinc/02/05/13/949020513.db2.gz FECLACSDSHBUSO-ACJLOTCBSA-N -1 0 337.847 3.622 20 0 EHADRM CC[C@H](SC)C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001589585165 949039159 /nfs/dbraw/zinc/03/91/59/949039159.db2.gz NGOVEUPKTFABQK-SCZZXKLOSA-N -1 0 327.471 3.651 20 0 EHADRM Cc1oc(CN(C)C(=O)Cc2ccc3ccccc3c2)cc1C(=O)[O-] ZINC000362753270 971537605 /nfs/dbraw/zinc/53/76/05/971537605.db2.gz RMHKUUMLZCXIHT-UHFFFAOYSA-N -1 0 337.375 3.641 20 0 EHADRM Cc1ccc(-c2ncco2)cc1NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000365245401 971542769 /nfs/dbraw/zinc/54/27/69/971542769.db2.gz NCCCVJHKBWYECL-UHFFFAOYSA-N -1 0 336.347 3.529 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C[C@H]2CCCc3ccccc32)C1 ZINC001589591866 949095982 /nfs/dbraw/zinc/09/59/82/949095982.db2.gz SXWDVXNBEXVMGN-OXQOHEQNSA-N -1 0 329.440 3.600 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cc(-c3cccc(Cl)c3)[nH]n2)cc1 ZINC001595221291 949254924 /nfs/dbraw/zinc/25/49/24/949254924.db2.gz BOUPCUWBCOGQRI-UHFFFAOYSA-N -1 0 341.754 3.681 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cc(Cl)ccc2C(F)(F)F)nc1 ZINC001595221574 949259329 /nfs/dbraw/zinc/25/93/29/949259329.db2.gz RUCOQTCJISAACY-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM O=C([O-])c1cccc(C(=O)OCc2ccc(Br)cc2)c1 ZINC001595241914 949467857 /nfs/dbraw/zinc/46/78/57/949467857.db2.gz NYDNEFOHFBHZEA-UHFFFAOYSA-N -1 0 335.153 3.504 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2cccc(NCC(F)(F)F)c2)c1 ZINC001595241998 949470878 /nfs/dbraw/zinc/47/08/78/949470878.db2.gz WGBUOZUOGUPIIR-UHFFFAOYSA-N -1 0 338.285 3.611 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3)cc2)C1 ZINC000178260965 949488466 /nfs/dbraw/zinc/48/84/66/949488466.db2.gz CDYQVRQRUMLHIC-ZDUSSCGKSA-N -1 0 345.782 3.679 20 0 EHADRM Cc1c(C(=O)NCc2ccc(C(=O)[O-])cc2)cccc1-c1ccccn1 ZINC000192415327 949510646 /nfs/dbraw/zinc/51/06/46/949510646.db2.gz KBQYDPWTSAOSJY-UHFFFAOYSA-N -1 0 346.386 3.685 20 0 EHADRM CCC[C@H](C(=O)Nc1sc2c(c1C(=O)[O-])COCC2)C(C)C ZINC001589630699 949531861 /nfs/dbraw/zinc/53/18/61/949531861.db2.gz LBGAHNJNHAERFN-JTQLQIEISA-N -1 0 325.430 3.530 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)s1 ZINC000220268923 949557012 /nfs/dbraw/zinc/55/70/12/949557012.db2.gz SIKZMDQGRIWNLD-JYKYSHPRSA-N -1 0 327.833 3.661 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)N(CC1CCCCC1)C1CC1 ZINC001595254943 949582726 /nfs/dbraw/zinc/58/27/26/949582726.db2.gz KUNJVFZFBXZVQK-UHFFFAOYSA-N -1 0 330.428 3.639 20 0 EHADRM CCC[C@@]1(C)CCCN(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1 ZINC001589635369 949613999 /nfs/dbraw/zinc/61/39/99/949613999.db2.gz IPBMPWJFJFDTQI-ZTENYAIWSA-N -1 0 338.492 3.734 20 0 EHADRM Cc1sc2nc(C)nc(Sc3nc(C(=O)[O-])cs3)c2c1C ZINC000379136163 971603806 /nfs/dbraw/zinc/60/38/06/971603806.db2.gz CWSGBAFRIYWWLW-UHFFFAOYSA-N -1 0 337.451 3.922 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC001595265080 949735718 /nfs/dbraw/zinc/73/57/18/949735718.db2.gz HDUFYPBBQQPIDH-FRRDWIJNSA-N -1 0 333.796 3.624 20 0 EHADRM CCCCCN(Cc1ccc(Cl)cc1)C(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001589646666 949741570 /nfs/dbraw/zinc/74/15/70/949741570.db2.gz KLBKFJSAPCOERY-UHFFFAOYSA-N -1 0 349.818 3.594 20 0 EHADRM Cc1cc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc(C)c1Br ZINC000232020888 949761356 /nfs/dbraw/zinc/76/13/56/949761356.db2.gz RNHOQHVDUUPUGQ-WDEREUQCSA-N -1 0 340.217 3.505 20 0 EHADRM CCCCNc1ccccc1C(=O)N1CCC[C@](CC)(C(=O)[O-])C1 ZINC001589650081 949767006 /nfs/dbraw/zinc/76/70/06/949767006.db2.gz GNNRAYQFJZACRU-IBGZPJMESA-N -1 0 332.444 3.616 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)c2ccsc2CC(=O)[O-])c1 ZINC000379175308 971608791 /nfs/dbraw/zinc/60/87/91/971608791.db2.gz FGRMLAWBMCAQMN-NSHDSACASA-N -1 0 333.409 3.805 20 0 EHADRM CC(C)c1cccc(O[C@H](C)C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC000236802555 949937926 /nfs/dbraw/zinc/93/79/26/949937926.db2.gz LPFLRJMGMIGQQR-CVEARBPZSA-N -1 0 347.455 3.681 20 0 EHADRM CCC(CC)(CNC(=O)CCCc1cc(C)sc1C)C(=O)[O-] ZINC000236832683 949940360 /nfs/dbraw/zinc/94/03/60/949940360.db2.gz YCUJBWLLBGSZFX-UHFFFAOYSA-N -1 0 325.474 3.695 20 0 EHADRM C[C@H]1CCc2c(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)csc2C1 ZINC000237612569 949968684 /nfs/dbraw/zinc/96/86/84/949968684.db2.gz SUPFUGOGGOMKCC-STQMWFEESA-N -1 0 335.469 3.590 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)/C=C/c2ccc(-c3ccc(F)cc3)s2)C1 ZINC000238094532 949995245 /nfs/dbraw/zinc/99/52/45/949995245.db2.gz XJHCZEQQDKRRGU-CFNZNRNTSA-N -1 0 345.395 3.501 20 0 EHADRM CCCN(CCC)c1ccc(NC(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC001589679610 950023174 /nfs/dbraw/zinc/02/31/74/950023174.db2.gz DPZQGGWNAUZURL-UHFFFAOYSA-N -1 0 347.459 3.642 20 0 EHADRM CC(C)c1ncc(Cl)c(C(=O)Nc2cccc(CCC(=O)[O-])c2)n1 ZINC000261604808 950046872 /nfs/dbraw/zinc/04/68/72/950046872.db2.gz CLXSGTQVUJHFPO-UHFFFAOYSA-N -1 0 347.802 3.523 20 0 EHADRM CCCOc1ccc(Cl)cc1C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC001589681330 950050965 /nfs/dbraw/zinc/05/09/65/950050965.db2.gz KZMQTPQPBOEBIB-GFCCVEGCSA-N -1 0 341.835 3.606 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)Cc1ccccc1C(=O)[O-] ZINC000262130074 950068338 /nfs/dbraw/zinc/06/83/38/950068338.db2.gz KRIDDNDMVITHSO-SFHVURJKSA-N -1 0 339.435 3.715 20 0 EHADRM CCCc1csc(NC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)n1 ZINC001589691069 950110143 /nfs/dbraw/zinc/11/01/43/950110143.db2.gz DVUMPTBFGHOFMY-KBPBESRZSA-N -1 0 345.424 3.530 20 0 EHADRM O=Cc1cc(Br)ccc1OCc1cccc(C(=O)[O-])c1 ZINC001595295346 950120336 /nfs/dbraw/zinc/12/03/36/950120336.db2.gz GCWIIWINTYGQLP-UHFFFAOYSA-N -1 0 335.153 3.539 20 0 EHADRM CC(C)c1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)c2ccccc2n1 ZINC000262952010 950198516 /nfs/dbraw/zinc/19/85/16/950198516.db2.gz LIFPHMUXUOODJI-KBPBESRZSA-N -1 0 340.423 3.541 20 0 EHADRM Cc1c(NC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cccc1C(F)(F)F ZINC000263076929 950247314 /nfs/dbraw/zinc/24/73/14/950247314.db2.gz HHJKWHGINMTZKF-KOLCDFICSA-N -1 0 344.333 3.588 20 0 EHADRM CCN(C(=O)Nc1ccc(Oc2ccc(C)cc2)nc1)[C@@H](C)C(=O)[O-] ZINC001589705896 950282921 /nfs/dbraw/zinc/28/29/21/950282921.db2.gz CSAMLUGIOQOANA-ZDUSSCGKSA-N -1 0 343.383 3.509 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC000263168682 950308532 /nfs/dbraw/zinc/30/85/32/950308532.db2.gz PSHQFCKOKKPJGO-UKRRQHHQSA-N -1 0 335.444 3.585 20 0 EHADRM Cc1oc2ccc(NC(=O)N3C[C@H](C)C[C@H](C(=O)[O-])C3)cc2c1C ZINC000263195935 950321467 /nfs/dbraw/zinc/32/14/67/950321467.db2.gz WMHBWSDAWFDKBO-MFKMUULPSA-N -1 0 330.384 3.624 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc(-c3ccc(F)cc3)s2)C1 ZINC000263337987 950381121 /nfs/dbraw/zinc/38/11/21/950381121.db2.gz MVPZUASKPSXKBX-YPMHNXCESA-N -1 0 347.411 3.737 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000263455362 950473852 /nfs/dbraw/zinc/47/38/52/950473852.db2.gz BVZQWIAHUDKVJG-VIFPVBQESA-N -1 0 330.837 3.636 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000263515767 950500016 /nfs/dbraw/zinc/50/00/16/950500016.db2.gz DQNDYALCXGOKPT-WMLDXEAASA-N -1 0 341.382 3.519 20 0 EHADRM CC[C@@H](CNC(=O)N(Cc1ccccc1)Cc1ccccc1)C(=O)[O-] ZINC000309571262 950680291 /nfs/dbraw/zinc/68/02/91/950680291.db2.gz LRGFVPYACSKOJZ-SFHVURJKSA-N -1 0 340.423 3.509 20 0 EHADRM N#Cc1cc(Br)ccc1CSc1ncccc1C(=O)[O-] ZINC000380358875 971689993 /nfs/dbraw/zinc/68/99/93/971689993.db2.gz MUPUEZDVVOXSHS-UHFFFAOYSA-N -1 0 349.209 3.706 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)Nc2cccc(OC(F)(F)F)c2)co1 ZINC001594972430 950871508 /nfs/dbraw/zinc/87/15/08/950871508.db2.gz VFVWPYWIRHDOHX-PLNGDYQASA-N -1 0 341.241 3.528 20 0 EHADRM C[C@@H]1CCc2c(C(=O)Nc3ccc(O)c(C(=O)[O-])c3)csc2C1 ZINC000319878426 950971156 /nfs/dbraw/zinc/97/11/56/950971156.db2.gz VEHYXUIFMAMPQF-SECBINFHSA-N -1 0 331.393 3.529 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)Nc1ncccc1C(=O)[O-] ZINC000320621924 950996953 /nfs/dbraw/zinc/99/69/53/950996953.db2.gz WWTWFYQYSHCXHK-UHFFFAOYSA-N -1 0 330.727 3.740 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(c2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000320663665 950998071 /nfs/dbraw/zinc/99/80/71/950998071.db2.gz KKCRCPKIBASBFG-HNNXBMFYSA-N -1 0 328.315 3.614 20 0 EHADRM CC(C)(C)C[C@@H]1CCN(C(=O)NCCC(C)(C)C(=O)[O-])C1(C)C ZINC001602859373 971710239 /nfs/dbraw/zinc/71/02/39/971710239.db2.gz IKDTYTKRUGETIC-ZDUSSCGKSA-N -1 0 326.481 3.734 20 0 EHADRM COc1cc(NC(=O)Nc2cccc(CC(=O)[O-])c2)ccc1Cl ZINC000323017148 951041383 /nfs/dbraw/zinc/04/13/83/951041383.db2.gz HQMLSMHMYYEZBL-UHFFFAOYSA-N -1 0 334.759 3.620 20 0 EHADRM C[C@](NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)(C(=O)[O-])c1ccccc1 ZINC000325289668 951082944 /nfs/dbraw/zinc/08/29/44/951082944.db2.gz WONCLYKFLMYGTH-AXHMDWHKSA-N -1 0 329.440 3.709 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)N2CCC[C@H](C(F)(F)F)C2)c1 ZINC000325509343 951085921 /nfs/dbraw/zinc/08/59/21/951085921.db2.gz NQMBOBOZEGFADB-LBPRGKRZSA-N -1 0 344.333 3.510 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)c1cc(Cl)c(N)c(Cl)c1)C(=O)[O-] ZINC001602860491 971715970 /nfs/dbraw/zinc/71/59/70/971715970.db2.gz CONPUZFZVXKHDI-LLVKDONJSA-N -1 0 347.242 3.585 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)c1cccn1Cc1ccccc1)C(=O)[O-] ZINC001602860868 971716579 /nfs/dbraw/zinc/71/65/79/971716579.db2.gz GCMLJWTXLYANBH-INIZCTEOSA-N -1 0 342.439 3.546 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)c3ccc(C(=O)[O-])nc3)cn2)cc1 ZINC000341615550 951130833 /nfs/dbraw/zinc/13/08/33/951130833.db2.gz PNVBBGQPPLWQHD-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM CCOc1ccc(Oc2ccccc2NC(=O)CCC(=O)[O-])cc1 ZINC000338195720 951130896 /nfs/dbraw/zinc/13/08/96/951130896.db2.gz OUGLGFQXRWUURK-UHFFFAOYSA-N -1 0 329.352 3.681 20 0 EHADRM C[C@H](NC(=O)Cc1ccccc1C(=O)[O-])c1ccc(F)cc1Cl ZINC000347340323 951133350 /nfs/dbraw/zinc/13/33/50/951133350.db2.gz FLCAIOAQQHYLLG-JTQLQIEISA-N -1 0 335.762 3.597 20 0 EHADRM CCO[C@H](C)C(=O)Nc1scc(-c2ccsc2)c1C(=O)[O-] ZINC001591703429 951163487 /nfs/dbraw/zinc/16/34/87/951163487.db2.gz NOBXBDXSLHZXCK-MRVPVSSYSA-N -1 0 325.411 3.538 20 0 EHADRM CC[C@@H](C)N(Cc1ccccc1)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000387436873 951317988 /nfs/dbraw/zinc/31/79/88/951317988.db2.gz YFAYPQZQYLVRTN-CYBMUJFWSA-N -1 0 327.384 3.612 20 0 EHADRM O=C([O-])CCCC(=O)N1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC001595025449 951346817 /nfs/dbraw/zinc/34/68/17/951346817.db2.gz RESLYHUDURJRFL-CQSZACIVSA-N -1 0 349.818 3.525 20 0 EHADRM CCC(CC)(CNC(=O)c1cc(Cl)c2ccccc2n1)C(=O)[O-] ZINC000391168087 951393694 /nfs/dbraw/zinc/39/36/94/951393694.db2.gz JOTALTXFJUYWJZ-UHFFFAOYSA-N -1 0 334.803 3.509 20 0 EHADRM O=C([O-])CCCCCNC(=O)[C@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC001595036069 951406128 /nfs/dbraw/zinc/40/61/28/951406128.db2.gz UAXVZIUHJNVFTM-OCCSQVGLSA-N -1 0 341.810 3.734 20 0 EHADRM O=C([O-])CCCCCNC(=O)CCSc1cccc(Cl)c1 ZINC001595036084 951406813 /nfs/dbraw/zinc/40/68/13/951406813.db2.gz WNFPUZDWRKVPGY-UHFFFAOYSA-N -1 0 329.849 3.583 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc3c(s2)CCCCCC3)C1 ZINC000399073976 951631195 /nfs/dbraw/zinc/63/11/95/951631195.db2.gz RGLBQPLITIACBZ-OCCSQVGLSA-N -1 0 335.469 3.590 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)NCc2ccc(C3CC3)cc2F)c1 ZINC001595131872 952037089 /nfs/dbraw/zinc/03/70/89/952037089.db2.gz QEQSIEVHQVBMST-UHFFFAOYSA-N -1 0 342.370 3.652 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)NCCC2CCC(F)(F)CC2)c1 ZINC001595131933 952037734 /nfs/dbraw/zinc/03/77/34/952037734.db2.gz VNJRJCUVDKLBDW-UHFFFAOYSA-N -1 0 340.370 3.651 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](c2nc(-c3ccccc3OC3CCC3)no2)C1 ZINC001595178356 952243092 /nfs/dbraw/zinc/24/30/92/952243092.db2.gz LJMUBQVQQDPWHS-NWDGAFQWSA-N -1 0 328.368 3.636 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC001595181871 952253575 /nfs/dbraw/zinc/25/35/75/952253575.db2.gz FONYMIMTYPYMJI-ZIAGYGMSSA-N -1 0 336.347 3.544 20 0 EHADRM C[C@H](c1ccncc1)N(C)Cc1ccc(C(=O)[O-])cc1Br ZINC000383683320 971887542 /nfs/dbraw/zinc/88/75/42/971887542.db2.gz AXURATXOWUMGMC-LLVKDONJSA-N -1 0 349.228 3.735 20 0 EHADRM O=C([O-])c1ccc(Oc2cccc(Br)c2[N+](=O)[O-])cc1 ZINC000383820852 971896900 /nfs/dbraw/zinc/89/69/00/971896900.db2.gz HPXHTSPFGZMMQE-UHFFFAOYSA-N -1 0 338.113 3.848 20 0 EHADRM CC(C)(CCNC(=O)N[C@@H]1CCC(C)(C)c2ccccc21)C(=O)[O-] ZINC001602940621 971908789 /nfs/dbraw/zinc/90/87/89/971908789.db2.gz KLLRUYIFLXXOHB-OAHLLOKOSA-N -1 0 332.444 3.599 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)CCCCc2ccc(Cl)cc2)C1 ZINC001589269213 953398888 /nfs/dbraw/zinc/39/88/88/953398888.db2.gz RUMNQNDSWNEFMD-DZGCQCFKSA-N -1 0 337.847 3.622 20 0 EHADRM CCC(CC)(CNC(=O)NCc1ccc2sccc2c1)C(=O)[O-] ZINC000424400127 953464942 /nfs/dbraw/zinc/46/49/42/953464942.db2.gz SNTYGFANGPYOHU-UHFFFAOYSA-N -1 0 334.441 3.592 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1ncc(-c2ccccc2C)s1)C(=O)[O-] ZINC001593613469 953475616 /nfs/dbraw/zinc/47/56/16/953475616.db2.gz JBOABZSOTSYYHD-HZMBPMFUSA-N -1 0 347.440 3.739 20 0 EHADRM CCC(CC)(CNC(=O)N1Cc2ccccc2C2(CCC2)C1)C(=O)[O-] ZINC000424420588 953480000 /nfs/dbraw/zinc/48/00/00/953480000.db2.gz BUFKYSMOHZXLKK-UHFFFAOYSA-N -1 0 344.455 3.525 20 0 EHADRM CCC(CC)(CNC(=O)N1CCC(c2ccsc2)CC1)C(=O)[O-] ZINC000424435126 953486533 /nfs/dbraw/zinc/48/65/33/953486533.db2.gz VBEPFZJBAUOXIU-UHFFFAOYSA-N -1 0 338.473 3.528 20 0 EHADRM CC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccccc2s1)C(=O)[O-] ZINC001593618913 953513822 /nfs/dbraw/zinc/51/38/22/953513822.db2.gz QNIJBHOLXZPALC-AGIUHOORSA-N -1 0 346.452 3.550 20 0 EHADRM C[C@@H]1CC(C)(C)c2cccc(NC(=O)[C@H]3CO[C@@H](CCC(=O)[O-])C3)c21 ZINC001589284283 953542675 /nfs/dbraw/zinc/54/26/75/953542675.db2.gz DLPCKPZMHWAAOS-MCIONIFRSA-N -1 0 345.439 3.680 20 0 EHADRM CC(C)C[C@H](NC(=O)Nc1ccc2oc(C(C)C)nc2c1)C(=O)[O-] ZINC000517608415 953546893 /nfs/dbraw/zinc/54/68/93/953546893.db2.gz FXGABVSOOWWSCA-ZDUSSCGKSA-N -1 0 333.388 3.572 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)Nc1c(F)cc(Cl)cc1F ZINC001594772023 953570211 /nfs/dbraw/zinc/57/02/11/953570211.db2.gz NAZDKLWLXFEFJX-UHFFFAOYSA-N -1 0 340.713 3.638 20 0 EHADRM CCc1cc(Cl)cnc1NC(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001593633024 953588862 /nfs/dbraw/zinc/58/88/62/953588862.db2.gz RIBNWBCSQYVKLE-NSHDSACASA-N -1 0 341.839 3.556 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccccc2OC2CCCC2)C[C@@H]1C(=O)[O-] ZINC000563145785 953596504 /nfs/dbraw/zinc/59/65/04/953596504.db2.gz BMISZRQWQJOXOF-HIFRSBDPSA-N -1 0 346.427 3.583 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000567899595 953640326 /nfs/dbraw/zinc/64/03/26/953640326.db2.gz IURVEANXWYOASF-UHFFFAOYSA-N -1 0 348.443 3.606 20 0 EHADRM CCc1ccc([C@H](C)NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC001593640788 953643104 /nfs/dbraw/zinc/64/31/04/953643104.db2.gz JMDMLRPYEGLRAQ-HOCLYGCPSA-N -1 0 332.444 3.596 20 0 EHADRM CCc1ccc([C@H](C)NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC001593640787 953643305 /nfs/dbraw/zinc/64/33/05/953643305.db2.gz JMDMLRPYEGLRAQ-GOEBONIOSA-N -1 0 332.444 3.596 20 0 EHADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1cc2cc(C(F)(F)F)ccc2s1 ZINC000568284713 953644438 /nfs/dbraw/zinc/64/44/38/953644438.db2.gz MOUGTSGTJHJKIR-CZMCAQCFSA-N -1 0 343.326 3.513 20 0 EHADRM CCc1cccc(Oc2cc(-c3noc(CCC(=O)[O-])n3)ccn2)c1 ZINC001593641819 953648381 /nfs/dbraw/zinc/64/83/81/953648381.db2.gz LNXNIECYCIHRFM-UHFFFAOYSA-N -1 0 339.351 3.504 20 0 EHADRM CC(C)c1nc2cc(NC(=O)N3C[C@H](C(=O)[O-])C[C@H](C)C3)ccc2o1 ZINC000571669176 953663588 /nfs/dbraw/zinc/66/35/88/953663588.db2.gz HMAOPVPAELTVAR-NWDGAFQWSA-N -1 0 345.399 3.526 20 0 EHADRM CCc1nc2ccc(NC(=O)NC3CCC(C(=O)[O-])CC3)cc2s1 ZINC001593650621 953706537 /nfs/dbraw/zinc/70/65/37/953706537.db2.gz BWYPVFGVCKCUPG-UHFFFAOYSA-N -1 0 347.440 3.624 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)N([C@H](C)C(=O)[O-])C2CC2)cc1 ZINC000580272195 953711962 /nfs/dbraw/zinc/71/19/62/953711962.db2.gz XGUPDDWPAIDALV-CYBMUJFWSA-N -1 0 334.416 3.581 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC001589303568 953714880 /nfs/dbraw/zinc/71/48/80/953714880.db2.gz UXLWZGBTNSDRLS-GXTWGEPZSA-N -1 0 336.391 3.646 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1cccc2c(Cl)nccc12 ZINC001589304959 953730870 /nfs/dbraw/zinc/73/08/70/953730870.db2.gz OOERRVIWCLBOAH-GHMZBOCLSA-N -1 0 347.802 3.605 20 0 EHADRM O=C([O-])C1(C(=O)N2CC=C(c3cccc4ccccc43)CC2)CCC1 ZINC000584234537 953732829 /nfs/dbraw/zinc/73/28/29/953732829.db2.gz HPHVIQNXRRGIAB-UHFFFAOYSA-N -1 0 335.403 3.710 20 0 EHADRM CSCc1ccc(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000593924516 953759978 /nfs/dbraw/zinc/75/99/78/953759978.db2.gz XGYDJTWOVHOQNY-DLBZAZTESA-N -1 0 341.432 3.593 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1CNC(=O)NCCCCCC(=O)[O-] ZINC001589310438 953787078 /nfs/dbraw/zinc/78/70/78/953787078.db2.gz NNBSDSYWZOMXQY-OAGGEKHMSA-N -1 0 326.481 3.639 20 0 EHADRM CCn1c(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc2ccccc21 ZINC001593660315 953792315 /nfs/dbraw/zinc/79/23/15/953792315.db2.gz KQXWSYLTUXHNJL-DLBZAZTESA-N -1 0 348.402 3.704 20 0 EHADRM CC(C)CC[C@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)C(C)(C)C ZINC000626753589 953806761 /nfs/dbraw/zinc/80/67/61/953806761.db2.gz PMXPTPMDKNOUSD-ILXRZTDVSA-N -1 0 326.481 3.590 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N[C@@H]1CCCOc2ccc(F)cc21 ZINC001594810900 953818330 /nfs/dbraw/zinc/81/83/30/953818330.db2.gz NOJJDAIPQODHDR-OAHLLOKOSA-N -1 0 344.342 3.559 20 0 EHADRM CCn1cc(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c2ccccc21 ZINC001593665211 953829535 /nfs/dbraw/zinc/82/95/35/953829535.db2.gz NIMUEIJSOKGZLY-FUHWJXTLSA-N -1 0 348.402 3.704 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)CCc2ccc(C(F)F)cc2)C1 ZINC000630160178 953842848 /nfs/dbraw/zinc/84/28/48/953842848.db2.gz RGPMMKGFDSCQKD-CQSZACIVSA-N -1 0 339.382 3.660 20 0 EHADRM CCCN(Cc1ccc(F)cc1)C(=O)Cc1ccccc1C(=O)[O-] ZINC000630291636 953851088 /nfs/dbraw/zinc/85/10/88/953851088.db2.gz WPSQHCCECSCBSD-UHFFFAOYSA-N -1 0 329.371 3.505 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccccc2OC2CCCC2)CC[C@H]1C(=O)[O-] ZINC000630558908 953858627 /nfs/dbraw/zinc/85/86/27/953858627.db2.gz RYTTYDOPSPHQLQ-UKRRQHHQSA-N -1 0 346.427 3.583 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000630562035 953861119 /nfs/dbraw/zinc/86/11/19/953861119.db2.gz MCMUNBZMTYHPDP-ONGXEEELSA-N -1 0 342.848 3.636 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)C2CC(c3ccc(F)cc3)C2)c1 ZINC000634804034 953869496 /nfs/dbraw/zinc/86/94/96/953869496.db2.gz TYCVPYABUOERIR-UHFFFAOYSA-N -1 0 327.355 3.585 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)N1CCC(C)(C(=O)[O-])CC1)CC2 ZINC000646155738 953935899 /nfs/dbraw/zinc/93/58/99/953935899.db2.gz FNCFGGLERPEDGR-KRWDZBQOSA-N -1 0 344.455 3.694 20 0 EHADRM Cc1ccc(NC(=O)N2CCC(C)(C(=O)[O-])CC2)cc1OC(C)C ZINC000647700672 953969351 /nfs/dbraw/zinc/96/93/51/953969351.db2.gz WVBTXTILDDHZRS-UHFFFAOYSA-N -1 0 334.416 3.501 20 0 EHADRM O=C([O-])[C@H](C(=O)NCCc1ccc(C2CCCCC2)cc1)C1CC1 ZINC001594833433 954001666 /nfs/dbraw/zinc/00/16/66/954001666.db2.gz CVPKPFRXDDWXLQ-SFHVURJKSA-N -1 0 329.440 3.504 20 0 EHADRM C[C@H]1CCN(C(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)C[C@@H]1C(=O)[O-] ZINC001589343558 954033353 /nfs/dbraw/zinc/03/33/53/954033353.db2.gz HUYICUXUTZFQME-HPBDAGMYSA-N -1 0 329.440 3.530 20 0 EHADRM C[C@H](C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000652056894 954034293 /nfs/dbraw/zinc/03/42/93/954034293.db2.gz LVLLKTLFSCWTQK-YVEFUNNKSA-N -1 0 343.810 3.654 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1ccnc(Oc2ccccc2Cl)c1)C1CC1 ZINC001594838090 954045661 /nfs/dbraw/zinc/04/56/61/954045661.db2.gz VFIKQIPFTBWGAR-OAHLLOKOSA-N -1 0 346.770 3.577 20 0 EHADRM C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@@H](C(C)(C)C)CC2)C[C@H]1C(=O)[O-] ZINC001589345203 954053284 /nfs/dbraw/zinc/05/32/84/954053284.db2.gz PMQJHCNIDUATBS-KLHDSHLOSA-N -1 0 338.492 3.734 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653333244 954163810 /nfs/dbraw/zinc/16/38/10/954163810.db2.gz MVPHPQQQPYHHSP-KURKYZTESA-N -1 0 345.439 3.544 20 0 EHADRM CC(C)[C@H](CNC(=O)C[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000655568731 954207379 /nfs/dbraw/zinc/20/73/79/954207379.db2.gz RATDYSYUFZEUQU-AAEUAGOBSA-N -1 0 345.361 3.672 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655580307 954219759 /nfs/dbraw/zinc/21/97/59/954219759.db2.gz KZJSNGXXOOZTGP-LQKXBSAESA-N -1 0 349.496 3.666 20 0 EHADRM O=C([O-])[C@@]1(C(=O)NCC2(Cc3cccc(Cl)c3)CC2)CC=CCC1 ZINC001594856122 954235676 /nfs/dbraw/zinc/23/56/76/954235676.db2.gz IVNBMICMPKUTJD-IBGZPJMESA-N -1 0 347.842 3.590 20 0 EHADRM C[C@@H](NC(=O)N1CC(C)(C)c2ccccc21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655904957 954287447 /nfs/dbraw/zinc/28/74/47/954287447.db2.gz PBGJAFWCCQCNDY-VHDGCEQUSA-N -1 0 344.455 3.629 20 0 EHADRM C[C@@H](NC(=O)N(C)[C@H](C)c1cccs1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655905935 954288780 /nfs/dbraw/zinc/28/87/80/954288780.db2.gz GLBRKKHOAIFCHD-FVCCEPFGSA-N -1 0 338.473 3.586 20 0 EHADRM CC1(c2cc(NC(=O)N3CCC(CCC(=O)[O-])CC3)no2)CCCC1 ZINC000656604470 954303560 /nfs/dbraw/zinc/30/35/60/954303560.db2.gz XZJWJGOFPIQSTH-UHFFFAOYSA-N -1 0 349.431 3.615 20 0 EHADRM Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1C ZINC000659144043 954310578 /nfs/dbraw/zinc/31/05/78/954310578.db2.gz AVWRBSCWODBPKB-OKZBNKHCSA-N -1 0 329.440 3.653 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1nc(-c2cccc(F)c2)cs1 ZINC000663074377 954449135 /nfs/dbraw/zinc/44/91/35/954449135.db2.gz APYREUGMJBOXHS-LBPRGKRZSA-N -1 0 336.388 3.635 20 0 EHADRM O=C([O-])C1(c2noc(CSCc3cccc(Cl)c3)n2)CCC1 ZINC001594886031 954462743 /nfs/dbraw/zinc/46/27/43/954462743.db2.gz PPNGYJRBHPIJSV-UHFFFAOYSA-N -1 0 338.816 3.663 20 0 EHADRM CCc1ccc(-c2csc(NC(=O)C3(C(=O)[O-])CCC3)n2)s1 ZINC000663092050 954472978 /nfs/dbraw/zinc/47/29/78/954472978.db2.gz MOIPYZYOSATWPW-UHFFFAOYSA-N -1 0 336.438 3.627 20 0 EHADRM C[C@H]1CSc2ccccc2N1C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001589408833 954495958 /nfs/dbraw/zinc/49/59/58/954495958.db2.gz OWAFNSDATAKJDX-DJYGCBNOSA-N -1 0 329.377 3.518 20 0 EHADRM C[C@@H](Cc1ccsc1)NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000385904798 972021055 /nfs/dbraw/zinc/02/10/55/972021055.db2.gz SYKPLFFXMJBTRZ-VIFPVBQESA-N -1 0 338.816 3.852 20 0 EHADRM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000679396546 954593831 /nfs/dbraw/zinc/59/38/31/954593831.db2.gz LWXSKFXTWLVUDW-ZBFHGGJFSA-N -1 0 347.455 3.607 20 0 EHADRM CCC(=O)c1cc(C(=O)Nc2cccc(CCC(=O)[O-])c2)ccc1F ZINC001589426251 954623766 /nfs/dbraw/zinc/62/37/66/954623766.db2.gz GIMCLAVASYHZND-UHFFFAOYSA-N -1 0 343.354 3.688 20 0 EHADRM CCC(C)(C)C1CCC(NC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC001589448051 954784132 /nfs/dbraw/zinc/78/41/32/954784132.db2.gz WOCUPCLLHATTJG-LBDPXKHJSA-N -1 0 338.492 3.734 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3F)cc2)C1 ZINC001594925697 954814625 /nfs/dbraw/zinc/81/46/25/954814625.db2.gz HLTQNKVXYXVJJT-GFCCVEGCSA-N -1 0 344.342 3.556 20 0 EHADRM O=C([O-])[C@H]1CCN(C/C=C\Cl)c2ccc(Br)cc21 ZINC001594933573 954839613 /nfs/dbraw/zinc/83/96/13/954839613.db2.gz UWDJZOIHTZJPAB-RIXFDMRVSA-N -1 0 330.609 3.580 20 0 EHADRM CC[C@@H](CC(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC001589463541 954875456 /nfs/dbraw/zinc/87/54/56/954875456.db2.gz BAZHWQSANQHKGF-UGSOOPFHSA-N -1 0 329.371 3.652 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2cccc3ccccc32)C1 ZINC000324947072 1125463192 /nfs/dbraw/zinc/46/31/92/1125463192.db2.gz ZMAXZDVHKAMKCD-IBGZPJMESA-N -1 0 326.396 3.949 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1cc(Br)ccc1C ZINC001589477923 954965058 /nfs/dbraw/zinc/96/50/58/954965058.db2.gz PNABZDTVCOCFHV-UHFFFAOYSA-N -1 0 328.206 3.587 20 0 EHADRM CC[C@@H](CN(CC)C(=O)C1(C(=O)[O-])CCSCC1)c1ccccc1 ZINC001589514560 955059811 /nfs/dbraw/zinc/05/98/11/955059811.db2.gz JPSYVTNDGQPITK-HNNXBMFYSA-N -1 0 349.496 3.627 20 0 EHADRM CSc1ccccc1C(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000386566778 972065362 /nfs/dbraw/zinc/06/53/62/972065362.db2.gz OYNHNZJQBLAXEC-UHFFFAOYSA-N -1 0 333.434 3.909 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N[C@@H](c1ccccc1F)C(C)C)C(=O)[O-] ZINC001603012539 972067385 /nfs/dbraw/zinc/06/73/85/972067385.db2.gz UDKXIYUMIIYHSF-XJKSGUPXSA-N -1 0 338.423 3.569 20 0 EHADRM CC[C@@H](CNC(=O)N1CCCC[C@@H]1c1cccc(Cl)c1)C(=O)[O-] ZINC001589528364 955136742 /nfs/dbraw/zinc/13/67/42/955136742.db2.gz IRZSWWPAXXWWPT-SWLSCSKDSA-N -1 0 338.835 3.687 20 0 EHADRM CC[C@H](CNC(=O)Nc1ccc2c(ccn2CC(C)C)c1)C(=O)[O-] ZINC001589545180 955194696 /nfs/dbraw/zinc/19/46/96/955194696.db2.gz GFVURAAFRPNQOQ-CYBMUJFWSA-N -1 0 331.416 3.530 20 0 EHADRM CC(C)CN(CCc1ccccc1)C(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001603026059 972086487 /nfs/dbraw/zinc/08/64/87/972086487.db2.gz UIQQLMRCWHEAHV-GOSISDBHSA-N -1 0 331.456 3.605 20 0 EHADRM Cc1cc(C)c(/C=C/C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1C ZINC000777394627 955338471 /nfs/dbraw/zinc/33/84/71/955338471.db2.gz CIAWVLLZTKAFGY-OZSKJFCKSA-N -1 0 329.440 3.728 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)c2ccc3ncsc3c2)c1 ZINC000386917581 972090672 /nfs/dbraw/zinc/09/06/72/972090672.db2.gz KLFVYPSEVXHXEN-UHFFFAOYSA-N -1 0 332.768 3.900 20 0 EHADRM C[C@H](CNC(=O)[C@]1(C(=O)[O-])CC1(C)C)c1c(Cl)cccc1Cl ZINC001589042981 955595258 /nfs/dbraw/zinc/59/52/58/955595258.db2.gz CZFRQWCEIHRQDA-ABKXIKBNSA-N -1 0 344.238 3.714 20 0 EHADRM COC(=O)c1cc(CNc2cccc(CCC(=O)[O-])c2)[nH]c1C(C)C ZINC001593869855 955621823 /nfs/dbraw/zinc/62/18/23/955621823.db2.gz BFBAZWBYVFCKHD-UHFFFAOYSA-N -1 0 344.411 3.554 20 0 EHADRM CC(C)C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3)C(=O)[O-] ZINC001603050451 972116085 /nfs/dbraw/zinc/11/60/85/972116085.db2.gz ZEHMPGMMHOUWBO-SFHVURJKSA-N -1 0 342.439 3.666 20 0 EHADRM CCCOc1ccc(C(F)(F)F)cc1NC(=O)CCCC(=O)[O-] ZINC000844246816 955661996 /nfs/dbraw/zinc/66/19/96/955661996.db2.gz VTTRCDNRYVIHPY-UHFFFAOYSA-N -1 0 333.306 3.688 20 0 EHADRM C/C(=C\C(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000846711982 955720502 /nfs/dbraw/zinc/72/05/02/955720502.db2.gz FDLUTGWOXUOMOG-BBGYYPMSSA-N -1 0 341.329 3.573 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F ZINC000846715520 955724141 /nfs/dbraw/zinc/72/41/41/955724141.db2.gz PNIQDPGEWWUIFY-NXIHDVOMSA-N -1 0 349.736 3.607 20 0 EHADRM CC(C)Cn1ncc(NC(=O)C2(C(=O)[O-])CCCCC2)c1C(C)C ZINC001603056771 972125933 /nfs/dbraw/zinc/12/59/33/972125933.db2.gz YBNCCJUOGKXLFC-UHFFFAOYSA-N -1 0 335.448 3.636 20 0 EHADRM CC(F)(F)c1ccccc1NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001589085410 955896088 /nfs/dbraw/zinc/89/60/88/955896088.db2.gz UQOMHVLWRDQVBC-UHFFFAOYSA-N -1 0 335.306 3.514 20 0 EHADRM CCc1cc2c(CC(=O)N([C@@H](C)C(=O)[O-])C3CC3)csc2s1 ZINC000864116313 955944819 /nfs/dbraw/zinc/94/48/19/955944819.db2.gz PFFVNHSFMIEZQP-VIFPVBQESA-N -1 0 337.466 3.532 20 0 EHADRM COc1ccccc1C[C@@H](C)N(C)c1nc(Cl)c(C(=O)[O-])s1 ZINC000387849310 972144627 /nfs/dbraw/zinc/14/46/27/972144627.db2.gz CZFUTERIOGZSJE-SECBINFHSA-N -1 0 340.832 3.571 20 0 EHADRM COc1ccccc1-c1ccc(C(=O)N(CC(=O)[O-])C2CCC2)s1 ZINC000864158189 955971499 /nfs/dbraw/zinc/97/14/99/955971499.db2.gz DDHVZUZUSHDEPY-UHFFFAOYSA-N -1 0 345.420 3.503 20 0 EHADRM CC(C)OC1(CNC(=O)C2(C(=O)[O-])CCCCCC2)CCCCC1 ZINC001603075478 972145765 /nfs/dbraw/zinc/14/57/65/972145765.db2.gz DHFHGWUJNXHBEW-UHFFFAOYSA-N -1 0 339.476 3.656 20 0 EHADRM Cc1nc2cccc(Cl)c2cc1C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000868434725 956012091 /nfs/dbraw/zinc/01/20/91/956012091.db2.gz IXZAIPGESXKHOR-GFCCVEGCSA-N -1 0 346.814 3.524 20 0 EHADRM C[C@@H](NC(=O)NCC[C@H]1CCCC1(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589106393 956032400 /nfs/dbraw/zinc/03/24/00/956032400.db2.gz UIWQLBDSBKJSNU-APIJFGDWSA-N -1 0 338.492 3.637 20 0 EHADRM C[C@@H](NC(=O)NCC[C@@H]1CCCC1(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589106394 956032825 /nfs/dbraw/zinc/03/28/25/956032825.db2.gz UIWQLBDSBKJSNU-CBBWQLFWSA-N -1 0 338.492 3.637 20 0 EHADRM C[C@@](NC(=O)Nc1cccc(CCC(=O)[O-])c1)(C1CC1)C(F)(F)F ZINC001589108456 956044755 /nfs/dbraw/zinc/04/47/55/956044755.db2.gz KRFXOKHBYDGEAQ-OAHLLOKOSA-N -1 0 344.333 3.556 20 0 EHADRM CC(C)OCc1ccc(NC(=O)NCc2ccccc2C(=O)[O-])cc1 ZINC001603080950 972154527 /nfs/dbraw/zinc/15/45/27/972154527.db2.gz JOJGLCSAKQLIQG-UHFFFAOYSA-N -1 0 342.395 3.632 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000898868877 956274632 /nfs/dbraw/zinc/27/46/32/956274632.db2.gz FTHZJEKBVJLTSZ-GOSISDBHSA-N -1 0 346.471 3.540 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Nc1cccc(OC(F)F)c1 ZINC000899310956 956280206 /nfs/dbraw/zinc/28/02/06/956280206.db2.gz JUUVTTZYPMJEIL-GFCCVEGCSA-N -1 0 342.342 3.539 20 0 EHADRM C[C@@H](OCCCNC(=O)Nc1ccccc1C(=O)[O-])c1ccccc1 ZINC001589162049 956421368 /nfs/dbraw/zinc/42/13/68/956421368.db2.gz KDWSAAMAXJLLSY-CQSZACIVSA-N -1 0 342.395 3.674 20 0 EHADRM C[C@H](OCCCNC(=O)Nc1ccccc1C(=O)[O-])c1ccccc1 ZINC001589162045 956421923 /nfs/dbraw/zinc/42/19/23/956421923.db2.gz KDWSAAMAXJLLSY-AWEZNQCLSA-N -1 0 342.395 3.674 20 0 EHADRM Cc1cc(C)c2c(c1)N(C(=O)c1coc(/C=C/C(=O)[O-])c1)CCC2 ZINC000901749174 956452980 /nfs/dbraw/zinc/45/29/80/956452980.db2.gz QJADQRYYNGMBFB-AATRIKPKSA-N -1 0 325.364 3.587 20 0 EHADRM C[C@H](c1cccc(O)c1)N(C)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001589174766 956485136 /nfs/dbraw/zinc/48/51/36/956485136.db2.gz HCXUTMJVVDRPQG-CYBMUJFWSA-N -1 0 342.395 3.634 20 0 EHADRM Cc1ccnc(Oc2cc(NC(=O)[C@@H]3CC[C@H]3C(=O)[O-])ccc2C)c1 ZINC000901917159 956537567 /nfs/dbraw/zinc/53/75/67/956537567.db2.gz HCGXYLFJCKPMLB-HUUCEWRRSA-N -1 0 340.379 3.540 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2cscc2C(F)F)c2ccccc21 ZINC000902014031 956604048 /nfs/dbraw/zinc/60/40/48/956604048.db2.gz CNBFECJOMMIXEC-ZWNOBZJWSA-N -1 0 337.347 3.729 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)NC[C@@H]2CCC[C@@H]2c2ccccc2)o1 ZINC001594669630 956606907 /nfs/dbraw/zinc/60/69/07/956606907.db2.gz FBMBUDLJQBQDPE-MFLSKIGUSA-N -1 0 339.391 3.691 20 0 EHADRM C[C@H](CCc1ccc(F)cc1)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000902029633 956619305 /nfs/dbraw/zinc/61/93/05/956619305.db2.gz MTMQJEMKNGPUSR-OSRSDYAFSA-N -1 0 349.446 3.646 20 0 EHADRM O=C([O-])C1(NC(=O)/C=C\c2ccc(F)c3ccccc23)CCCC1 ZINC001594675427 956656226 /nfs/dbraw/zinc/65/62/26/956656226.db2.gz XYTCRTDBUBEGAN-NTMALXAHSA-N -1 0 327.355 3.506 20 0 EHADRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)CC1CCC1 ZINC000389059362 972204869 /nfs/dbraw/zinc/20/48/69/972204869.db2.gz RYNGEKGXYMOHPO-UHFFFAOYSA-N -1 0 326.190 3.584 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCC(Cc2ccccc2Cl)CC1 ZINC001589211396 956691425 /nfs/dbraw/zinc/69/14/25/956691425.db2.gz KJYDQMFSOAAQMP-IBGZPJMESA-N -1 0 349.858 3.622 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N(CC1CC1)c1cccc(C(F)(F)F)c1 ZINC000902269218 956692058 /nfs/dbraw/zinc/69/20/58/956692058.db2.gz PBUYQFXHAVLVJY-ZIAGYGMSSA-N -1 0 341.329 3.559 20 0 EHADRM CC1(C)C[C@H](C(=O)Nc2sccc2C(=O)[O-])c2ccccc2O1 ZINC001589212951 956710629 /nfs/dbraw/zinc/71/06/29/956710629.db2.gz AIOZJZLQWTYVQV-LBPRGKRZSA-N -1 0 331.393 3.730 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Oc1ccc(OCc2ccccc2)cc1 ZINC001589219435 956756510 /nfs/dbraw/zinc/75/65/10/956756510.db2.gz BYWWRVJBWJOKGP-FQEVSTJZSA-N -1 0 340.375 3.672 20 0 EHADRM C[C@H](Cc1ccco1)C(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21 ZINC000902820958 956809721 /nfs/dbraw/zinc/80/97/21/956809721.db2.gz VOKYKOFROHOVLT-HUUCEWRRSA-N -1 0 341.407 3.529 20 0 EHADRM CC1(C)[C@@H](c2ccccc2)[C@@H]1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001589237767 956845711 /nfs/dbraw/zinc/84/57/11/956845711.db2.gz BAQFIEBLWCUGOU-ROUUACIJSA-N -1 0 338.407 3.627 20 0 EHADRM COC(=O)C(C)(C)c1ccc(NCc2ccc(C(=O)[O-])s2)cc1 ZINC000903681636 956862053 /nfs/dbraw/zinc/86/20/53/956862053.db2.gz GZSFRGTVXINEAO-UHFFFAOYSA-N -1 0 333.409 3.509 20 0 EHADRM Cc1ccc(NC(=O)COc2cc(Cl)ccc2C(=O)[O-])cc1F ZINC000013085405 956935238 /nfs/dbraw/zinc/93/52/38/956935238.db2.gz FYQGAJCXKLMZQM-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM O=C([O-])c1cccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)c1 ZINC000013094715 956945707 /nfs/dbraw/zinc/94/57/07/956945707.db2.gz DHIVYIXLQBHEEC-UHFFFAOYSA-N -1 0 335.359 3.801 20 0 EHADRM CCC1(NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CCCCC1 ZINC000389479877 972228958 /nfs/dbraw/zinc/22/89/58/972228958.db2.gz PDWRYKKYCRFELJ-UHFFFAOYSA-N -1 0 326.343 3.897 20 0 EHADRM Cc1nc(-c2ccsc2)ccc1C(=O)N1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC000905272036 956970723 /nfs/dbraw/zinc/97/07/23/956970723.db2.gz XXYYHFGLNVIUET-BDJLRTHQSA-N -1 0 344.436 3.586 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)CCc2ccc(Cl)cc2)cc1 ZINC000013258309 956996230 /nfs/dbraw/zinc/99/62/30/956996230.db2.gz DPPVXWOQXYNTAF-QGZVFWFLSA-N -1 0 345.826 3.913 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)c2cc(O)c3ccccc3c2)c2ccccc21 ZINC001594726800 957012991 /nfs/dbraw/zinc/01/29/91/957012991.db2.gz OKMLLSKITFEZAQ-ZWKOTPCHSA-N -1 0 347.370 3.588 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)[C@@H](c2ccncc2)C2CCCC2)c1 ZINC000909333251 957014268 /nfs/dbraw/zinc/01/42/68/957014268.db2.gz PXKHKCXARNMMCM-LJQANCHMSA-N -1 0 338.407 3.621 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2c[nH]cc2-c2ccccc2F)CC1 ZINC000909439194 957019138 /nfs/dbraw/zinc/01/91/38/957019138.db2.gz KQLKHLVNFJEPLF-UHFFFAOYSA-N -1 0 344.386 3.538 20 0 EHADRM Cc1c(C(=O)[O-])sc2[nH]c(CSc3ccc(C)cc3)nc(=O)c12 ZINC000013318174 957023841 /nfs/dbraw/zinc/02/38/41/957023841.db2.gz KEMALVDVPYIYDU-UHFFFAOYSA-N -1 0 346.433 3.592 20 0 EHADRM CC(C)(CCNC(=O)c1ccccc1NCc1ccccc1)C(=O)[O-] ZINC000909748162 957036204 /nfs/dbraw/zinc/03/62/04/957036204.db2.gz KLDCOZGYIKRSEF-UHFFFAOYSA-N -1 0 340.423 3.529 20 0 EHADRM CSCc1ccc(C(=O)N2CCCc3c(C(=O)[O-])cccc32)cc1 ZINC000013390267 957044166 /nfs/dbraw/zinc/04/41/66/957044166.db2.gz GOTIBGNVUKTEAG-UHFFFAOYSA-N -1 0 341.432 3.841 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)CSc1ccc2c(c1)CCC2 ZINC000013391487 957047923 /nfs/dbraw/zinc/04/79/23/957047923.db2.gz FZQBAPRFYDBMTJ-UHFFFAOYSA-N -1 0 341.432 3.913 20 0 EHADRM CCCc1c(NC(=O)CCCCC(=O)[O-])cnn1-c1cccc(C)c1 ZINC000910656592 957049861 /nfs/dbraw/zinc/04/98/61/957049861.db2.gz OWZRZCCWRIUFMB-UHFFFAOYSA-N -1 0 343.427 3.717 20 0 EHADRM C[C@]1(Cc2ccc(Cl)s2)CCCN1C(=O)CCCC(=O)[O-] ZINC000911061960 957053909 /nfs/dbraw/zinc/05/39/09/957053909.db2.gz MTOIATPUAYIVRB-OAHLLOKOSA-N -1 0 329.849 3.580 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1cccc(-c2n[nH]c3c2CCCC3)c1 ZINC000911233530 957059058 /nfs/dbraw/zinc/05/90/58/957059058.db2.gz OQQDXISLUYDBKD-UHFFFAOYSA-N -1 0 341.411 3.539 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2c(F)cccc2N2CCCC2)c1 ZINC000911326671 957062841 /nfs/dbraw/zinc/06/28/41/957062841.db2.gz HGRRRXIZZPLBDC-UHFFFAOYSA-N -1 0 342.370 3.685 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)Cc1c(F)cccc1Cl ZINC000013429035 957069771 /nfs/dbraw/zinc/06/97/71/957069771.db2.gz XZUQJSXCTWPFBM-UHFFFAOYSA-N -1 0 349.789 3.525 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1cc2c(s1)CCCCC2 ZINC000013449331 957088548 /nfs/dbraw/zinc/08/85/48/957088548.db2.gz XABRPEQRPMDCFV-UHFFFAOYSA-N -1 0 341.432 3.918 20 0 EHADRM CCCCCCOc1ccc(C(=O)N2CCCC[C@H]2C(=O)[O-])cc1 ZINC000920935032 957096200 /nfs/dbraw/zinc/09/62/00/957096200.db2.gz HTUBGWFVURQBFO-KRWDZBQOSA-N -1 0 333.428 3.725 20 0 EHADRM Cc1cc(Br)ccc1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000036829359 957239744 /nfs/dbraw/zinc/23/97/44/957239744.db2.gz WQCNKGHHWKQBFF-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cc(F)cc(Br)c2)c1 ZINC000037025873 957260231 /nfs/dbraw/zinc/26/02/31/957260231.db2.gz KSPLFMCXMYMPAM-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM O=C([O-])c1cccc(NC(=O)CSc2cccc3cccnc32)c1 ZINC000059434481 957562525 /nfs/dbraw/zinc/56/25/25/957562525.db2.gz XFMKOTMXTLDVPT-UHFFFAOYSA-N -1 0 338.388 3.664 20 0 EHADRM CC(C)(C)c1ccc(OCC(=O)Oc2cccc(C(=O)[O-])c2)cc1 ZINC000066144316 957642552 /nfs/dbraw/zinc/64/25/52/957642552.db2.gz ZCEKLJLILFGRBZ-UHFFFAOYSA-N -1 0 328.364 3.667 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NCC(C)(C)c2ccccc2C)c1 ZINC001594285600 957775098 /nfs/dbraw/zinc/77/50/98/957775098.db2.gz ICRODCLKXAWAAU-UHFFFAOYSA-N -1 0 325.408 3.709 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2cc(Cl)nc(Cl)c2)c1 ZINC001594288205 957793674 /nfs/dbraw/zinc/79/36/74/957793674.db2.gz DLXMGOIWCSLRKC-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2c2ccc(F)cc2F)cc1 ZINC001574791313 957815066 /nfs/dbraw/zinc/81/50/66/957815066.db2.gz VYXSEZSLEZUNMZ-INIZCTEOSA-N -1 0 331.318 3.640 20 0 EHADRM O=C([O-])c1cccc(CN2CCOc3cc(Br)ccc32)c1 ZINC001574807568 957863433 /nfs/dbraw/zinc/86/34/33/957863433.db2.gz NCDCFOWDCYTFAY-UHFFFAOYSA-N -1 0 348.196 3.546 20 0 EHADRM O=C([O-])c1cccc(C(=O)NCc2nc3cc(Cl)ccc3s2)c1 ZINC001574807984 957865202 /nfs/dbraw/zinc/86/52/02/957865202.db2.gz YHCZWVMJRXGQKB-UHFFFAOYSA-N -1 0 346.795 3.578 20 0 EHADRM O=C([O-])c1cccc(CSc2nc(Cc3ccccc3)no2)c1 ZINC001574809825 957871033 /nfs/dbraw/zinc/87/10/33/957871033.db2.gz VECHYRHVOOJAHF-UHFFFAOYSA-N -1 0 326.377 3.651 20 0 EHADRM CON(Cc1ccccc1Cl)C(=O)C1(C(=O)[O-])CCCCCC1 ZINC001594043936 957903504 /nfs/dbraw/zinc/90/35/04/957903504.db2.gz OYIZFGJEMAMALM-UHFFFAOYSA-N -1 0 339.819 3.655 20 0 EHADRM Cc1cc(CCCC(=O)Nc2ccc(O)c(C(=O)[O-])c2)c(C)s1 ZINC001594302368 957920940 /nfs/dbraw/zinc/92/09/40/957920940.db2.gz MYUCOZRHQVAKIU-UHFFFAOYSA-N -1 0 333.409 3.730 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC001603207556 972318389 /nfs/dbraw/zinc/31/83/89/972318389.db2.gz XXHFGBMFCWQWHL-DJJJIMSYSA-N -1 0 345.826 3.635 20 0 EHADRM Cc1cc2ccccc2nc1C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001594332322 958238457 /nfs/dbraw/zinc/23/84/57/958238457.db2.gz RDVOEPNJLQHPID-HNNXBMFYSA-N -1 0 328.412 3.553 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3CCC[C@@H](C)[C@H]3C(=O)[O-])s2)o1 ZINC001594334189 958252456 /nfs/dbraw/zinc/25/24/56/958252456.db2.gz PIJKVYVKNHIGIK-BMIGLBTASA-N -1 0 333.409 3.642 20 0 EHADRM Cc1ccc([C@@H](O)c2ccccn2)cc1NC1CCC(C(=O)[O-])CC1 ZINC001594350922 958354481 /nfs/dbraw/zinc/35/44/81/958354481.db2.gz CWQKJBJZIKGEMP-GSQSYGFSSA-N -1 0 340.423 3.527 20 0 EHADRM CC(C)(C)[C@H](NC(=O)/C=C\c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000103510952 958360342 /nfs/dbraw/zinc/36/03/42/958360342.db2.gz COGCRXINLURMHA-DSYXLKISSA-N -1 0 330.211 3.622 20 0 EHADRM Cc1ccc(C)c(C(=O)CCC(=O)NC[C@H](CC(=O)[O-])CC(C)C)c1 ZINC001594351755 958364511 /nfs/dbraw/zinc/36/45/11/958364511.db2.gz XAVOTAICIMCLMU-INIZCTEOSA-N -1 0 347.455 3.520 20 0 EHADRM O=C([O-])c1ccc(Br)cc1NC(=O)CC1=CCCCC1 ZINC000110534451 958391862 /nfs/dbraw/zinc/39/18/62/958391862.db2.gz CIWOIXQPWJXJOP-UHFFFAOYSA-N -1 0 338.201 3.976 20 0 EHADRM Cc1ccc(/C=C/C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)cn1 ZINC001594353951 958393703 /nfs/dbraw/zinc/39/37/03/958393703.db2.gz XINTYBIFLPPGJH-QPJJXVBHSA-N -1 0 334.734 3.533 20 0 EHADRM Cc1ccc(CNC(=O)[C@@H]2CC[C@H]2C(=O)[O-])c(O[C@H](C)CC(C)C)c1 ZINC001594361222 958449656 /nfs/dbraw/zinc/44/96/56/958449656.db2.gz LMPWAZWQUUYZON-DJIMGWMZSA-N -1 0 347.455 3.535 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)c2cc(C)cc(C(=O)[O-])c2)cc1C ZINC001594111828 958515126 /nfs/dbraw/zinc/51/51/26/958515126.db2.gz BORNBKGHBISXOA-CYBMUJFWSA-N -1 0 327.380 3.501 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cccc(-c2ccoc2)c1)c1ccc(F)cc1 ZINC001605729165 972357992 /nfs/dbraw/zinc/35/79/92/972357992.db2.gz IRCKDXFEPKEXPP-KRWDZBQOSA-N -1 0 339.322 3.641 20 0 EHADRM Cc1ccc(NCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)c(F)c1 ZINC001594373239 958560707 /nfs/dbraw/zinc/56/07/07/958560707.db2.gz KHRMHUPOBZPGSR-ZDUSSCGKSA-N -1 0 332.375 3.640 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC001588482080 958598991 /nfs/dbraw/zinc/59/89/91/958598991.db2.gz RWLCPPFJPLZANX-OCKXMSAZSA-N -1 0 335.403 3.609 20 0 EHADRM COc1cccc(C(F)F)c1C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001594123723 958615889 /nfs/dbraw/zinc/61/58/89/958615889.db2.gz YXJUKBMLJOWELP-UHFFFAOYSA-N -1 0 336.290 3.688 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N[C@@H]3C[C@@H](C(=O)[O-])c4ccccc43)cc2c1 ZINC001594381464 958627235 /nfs/dbraw/zinc/62/72/35/958627235.db2.gz KUMDCFPMSZIBLR-NVXWUHKLSA-N -1 0 334.375 3.519 20 0 EHADRM C[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000391745052 972365246 /nfs/dbraw/zinc/36/52/46/972365246.db2.gz BTRWLKJBWFDPQP-BXKDBHETSA-N -1 0 326.343 3.705 20 0 EHADRM COc1cccc2c(C(=O)Nc3ccc(C(=O)[O-])c(C)c3)coc21 ZINC001594133514 958687200 /nfs/dbraw/zinc/68/72/00/958687200.db2.gz BNTPQLWHALXWNU-UHFFFAOYSA-N -1 0 325.320 3.700 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)Nc1ccc2ncsc2c1)C(=O)[O-] ZINC001573394351 958709380 /nfs/dbraw/zinc/70/93/80/958709380.db2.gz CTOOGJMKSCLBMC-LBPRGKRZSA-N -1 0 335.429 3.697 20 0 EHADRM COc1ccccc1CC(C)(C)C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001594144550 958750768 /nfs/dbraw/zinc/75/07/68/958750768.db2.gz UUQYLHHMHZFVED-HNNXBMFYSA-N -1 0 349.471 3.660 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)/C=C/Sc1cc(F)ccc1F ZINC001573425567 958787907 /nfs/dbraw/zinc/78/79/07/958787907.db2.gz SZGGGKPGWCYHJQ-VOTSOKGWSA-N -1 0 343.395 3.530 20 0 EHADRM Cc1ccc2c(CC(=O)Nc3ccc(F)c(C(=O)[O-])c3)coc2c1 ZINC000391803986 972376746 /nfs/dbraw/zinc/37/67/46/972376746.db2.gz IFLBTWKGUZCQJO-UHFFFAOYSA-N -1 0 327.311 3.760 20 0 EHADRM CC(=O)c1c(C)cc(OC(=O)c2cc(C)cc(C(=O)[O-])c2)cc1C ZINC001588526845 958864643 /nfs/dbraw/zinc/86/46/43/958864643.db2.gz FUDFMRATBJVNMA-UHFFFAOYSA-N -1 0 326.348 3.732 20 0 EHADRM CC(=O)c1ccc(C(F)(F)F)nc1Oc1ccc(CC(=O)[O-])cc1 ZINC001588531217 958897551 /nfs/dbraw/zinc/89/75/51/958897551.db2.gz VULYGTMFNBNJOW-UHFFFAOYSA-N -1 0 339.269 3.722 20 0 EHADRM Cc1sc(N(C)Cc2cccc(Br)c2)nc1C(=O)[O-] ZINC000137255032 958921690 /nfs/dbraw/zinc/92/16/90/958921690.db2.gz NRPIYAWPMJHPFT-UHFFFAOYSA-N -1 0 341.230 3.549 20 0 EHADRM CC(C)(C)c1ccnc(SCCOc2ccccc2C(=O)[O-])n1 ZINC001573463776 958931614 /nfs/dbraw/zinc/93/16/14/958931614.db2.gz NVEUPMOTRMSNAC-UHFFFAOYSA-N -1 0 332.425 3.643 20 0 EHADRM Cc1ccccc1-c1cnc(NC(=O)NCCC(C)(C)C(=O)[O-])s1 ZINC001594413976 958981921 /nfs/dbraw/zinc/98/19/21/958981921.db2.gz QAGARYNWTUCXAN-UHFFFAOYSA-N -1 0 347.440 3.741 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCC(C)(c2ccc(Cl)cc2)CC1 ZINC001573484655 958987829 /nfs/dbraw/zinc/98/78/29/958987829.db2.gz MZKIAAPVSUAJSX-OAHLLOKOSA-N -1 0 337.847 3.577 20 0 EHADRM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)C2(C(=O)[O-])CCCCC2)C1 ZINC001594416979 959012096 /nfs/dbraw/zinc/01/20/96/959012096.db2.gz QDLIHNYVEPLEJR-HOTGVXAUSA-N -1 0 329.440 3.735 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)O[C@@H]1CCOc2cc(Cl)cc(Cl)c21 ZINC001573490101 959012475 /nfs/dbraw/zinc/01/24/75/959012475.db2.gz NVCSOZAFNCSYFJ-ZYHUDNBSSA-N -1 0 347.194 3.717 20 0 EHADRM Cc1ccc(-c2noc(COc3ccc(C(=O)[O-])cc3Cl)n2)cc1 ZINC000391980167 972396968 /nfs/dbraw/zinc/39/69/68/972396968.db2.gz NKVIVHJSFUPIDG-UHFFFAOYSA-N -1 0 344.754 3.976 20 0 EHADRM Cc1ccccc1Sc1ccc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cc1 ZINC001594419089 959044151 /nfs/dbraw/zinc/04/41/51/959044151.db2.gz ZXRRNXVTMNQCFA-GASCZTMLSA-N -1 0 341.432 3.739 20 0 EHADRM CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCCCCC(=O)[O-] ZINC001573499289 959047841 /nfs/dbraw/zinc/04/78/41/959047841.db2.gz JFTOJTVJDJJWAS-MRXNPFEDSA-N -1 0 341.835 3.505 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000392048805 972404123 /nfs/dbraw/zinc/40/41/23/972404123.db2.gz SSKVTSYEHKTOIA-CQSZACIVSA-N -1 0 326.396 3.596 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1(C)C ZINC001588565515 959138188 /nfs/dbraw/zinc/13/81/88/959138188.db2.gz UMOOKTJKSVWMRR-GWCFXTLKSA-N -1 0 343.345 3.521 20 0 EHADRM CSc1c(F)cc(NC(=O)[C@H](C(=O)[O-])C2CCCC2)cc1F ZINC001594188903 959147707 /nfs/dbraw/zinc/14/77/07/959147707.db2.gz KLWMOLKARFEJQD-GFCCVEGCSA-N -1 0 329.368 3.516 20 0 EHADRM CSc1cc(NC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)ccc1Cl ZINC001594190033 959165946 /nfs/dbraw/zinc/16/59/46/959165946.db2.gz NVHVNMDXDKJLDD-GXSJLCMTSA-N -1 0 342.848 3.636 20 0 EHADRM Cc1csc(-c2cccc(OC(=O)[C@@]3(C(=O)[O-])CC3(C)C)c2)n1 ZINC001594435731 959226631 /nfs/dbraw/zinc/22/66/31/959226631.db2.gz MHWXKQGYQZJXTB-KRWDZBQOSA-N -1 0 331.393 3.525 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)Nc1cc(Cl)ccc1NCc1ccccc1 ZINC001588576113 959230341 /nfs/dbraw/zinc/23/03/41/959230341.db2.gz NVOBCTGPTRHIPH-NSHDSACASA-N -1 0 332.787 3.611 20 0 EHADRM Cc1csc(N(C(=O)c2ccc(C(=O)[O-])cn2)c2ccccc2)n1 ZINC001594438526 959256391 /nfs/dbraw/zinc/25/63/91/959256391.db2.gz XFTMGDVUQJTVOV-UHFFFAOYSA-N -1 0 339.376 3.523 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC001588585532 959306196 /nfs/dbraw/zinc/30/61/96/959306196.db2.gz OKSOVENEDQBHFZ-LBPRGKRZSA-N -1 0 336.347 3.668 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC001573575068 959321186 /nfs/dbraw/zinc/32/11/86/959321186.db2.gz RQFOZGTUDKJJNH-VIFPVBQESA-N -1 0 341.285 3.558 20 0 EHADRM Cc1nc(-c2cccs2)ccc1C(=O)NC1(C(=O)[O-])CCCCC1 ZINC001594446118 959329363 /nfs/dbraw/zinc/32/93/63/959329363.db2.gz RNQPYTFMLAMKJC-UHFFFAOYSA-N -1 0 344.436 3.636 20 0 EHADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N(CCc1ccccc1)CCC(C)(C)C ZINC001594222422 959390561 /nfs/dbraw/zinc/39/05/61/959390561.db2.gz JDHIGONRQIUAAN-QRWLVFNGSA-N -1 0 331.456 3.605 20 0 EHADRM O=C([O-])C1(CNC(=O)c2cc(F)c(Cl)cc2Cl)CCCCC1 ZINC000179195173 959435477 /nfs/dbraw/zinc/43/54/77/959435477.db2.gz AFPRDICDFCAODU-UHFFFAOYSA-N -1 0 348.201 3.897 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NCc2ccccc2OC2CCCC2)C1 ZINC000179958120 959435749 /nfs/dbraw/zinc/43/57/49/959435749.db2.gz PPHMUKYBYBTCLQ-LSDHHAIUSA-N -1 0 345.439 3.515 20 0 EHADRM O=C([O-])c1coc(C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000183768066 959445843 /nfs/dbraw/zinc/44/58/43/959445843.db2.gz OATVJORJPXSNHN-KRWDZBQOSA-N -1 0 339.322 3.636 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cc(C(=O)[O-])co1 ZINC000183813183 959452166 /nfs/dbraw/zinc/45/21/66/959452166.db2.gz LYTJTLGFOIKDGB-MNOVXSKESA-N -1 0 335.787 3.895 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cc(C(=O)[O-])co1 ZINC000183813195 959452336 /nfs/dbraw/zinc/45/23/36/959452336.db2.gz LYTJTLGFOIKDGB-QWRGUYRKSA-N -1 0 335.787 3.895 20 0 EHADRM C[C@@H](CSc1ccccc1)N(C)C(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001573607774 959459921 /nfs/dbraw/zinc/45/99/21/959459921.db2.gz INMUZVFKWHSQFX-BBRMVZONSA-N -1 0 335.469 3.517 20 0 EHADRM CC(F)(F)c1ccc(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC001573609884 959471579 /nfs/dbraw/zinc/47/15/79/959471579.db2.gz AWYUJUJXQJZLSM-GOSISDBHSA-N -1 0 347.361 3.571 20 0 EHADRM C[C@@H](NC(=O)C1(C(=O)[O-])CC=CC1)c1cc(Cl)cc(Cl)c1F ZINC001573611702 959486757 /nfs/dbraw/zinc/48/67/57/959486757.db2.gz XUKKEFWFAWTTQV-MRVPVSSYSA-N -1 0 346.185 3.731 20 0 EHADRM CC(C)(C(=O)N[C@H]1CCC[C@H]1C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001588609717 959499108 /nfs/dbraw/zinc/49/91/08/959499108.db2.gz CMZPHUICHBBREL-MFKMUULPSA-N -1 0 344.238 3.641 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1ccc2ccccc2n1)C(=O)[O-] ZINC000190672006 959519229 /nfs/dbraw/zinc/51/92/29/959519229.db2.gz CEVWQLWDEUZRKT-HNNXBMFYSA-N -1 0 348.402 3.598 20 0 EHADRM Cc1noc(C)c1[C@@H](C)CC(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000190765938 959520591 /nfs/dbraw/zinc/52/05/91/959520591.db2.gz IVJLEWUHYBHYQA-LRDDRELGSA-N -1 0 344.411 3.507 20 0 EHADRM C[C@@H](CC(=O)NCCCCCC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000190879408 959525481 /nfs/dbraw/zinc/52/54/81/959525481.db2.gz FHDXLSLUXPPYIX-CYBMUJFWSA-N -1 0 325.836 3.670 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2cc(F)cc3cccnc32)cc1 ZINC000191020100 959536752 /nfs/dbraw/zinc/53/67/52/959536752.db2.gz GPAXYQRJRJDDFO-UHFFFAOYSA-N -1 0 338.338 3.643 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)C2(c3ccc(F)cc3F)CCC2)c1 ZINC000191061654 959538224 /nfs/dbraw/zinc/53/82/24/959538224.db2.gz QVVKGKXZRPOGQP-UHFFFAOYSA-N -1 0 349.308 3.863 20 0 EHADRM CCCCC[C@@H](NC(=O)c1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000191087189 959540621 /nfs/dbraw/zinc/54/06/21/959540621.db2.gz OILYYVSJBKUFKY-CQSZACIVSA-N -1 0 345.361 3.945 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2cc3c(cccc3F)[nH]2)cc1)C(=O)[O-] ZINC000191430750 959566703 /nfs/dbraw/zinc/56/67/03/959566703.db2.gz FPHIONVPDYWYSN-LLVKDONJSA-N -1 0 340.354 3.823 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2ccn(C3CCCC3)n2)cc1)C(=O)[O-] ZINC000191447179 959570811 /nfs/dbraw/zinc/57/08/11/959570811.db2.gz VAAJKIIBFOXZIR-ZDUSSCGKSA-N -1 0 341.411 3.514 20 0 EHADRM CCC(CC)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000192888139 959594692 /nfs/dbraw/zinc/59/46/92/959594692.db2.gz IJRSJIIYYXOWRM-ZDUSSCGKSA-N -1 0 342.233 3.517 20 0 EHADRM COc1c(C)cc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1C ZINC000192917975 959597062 /nfs/dbraw/zinc/59/70/62/959597062.db2.gz SATCEXQHTXZIMI-CQSZACIVSA-N -1 0 341.407 3.828 20 0 EHADRM C[C@](CNC(=O)c1csc2ccccc12)(C(=O)[O-])c1ccccc1 ZINC000193079642 959612264 /nfs/dbraw/zinc/61/22/64/959612264.db2.gz KFMOWDYRBCHPDY-LJQANCHMSA-N -1 0 339.416 3.674 20 0 EHADRM Cc1c(C(=O)Nc2ccccc2CC(=O)[O-])ccn1Cc1ccccc1 ZINC001594258875 959672793 /nfs/dbraw/zinc/67/27/93/959672793.db2.gz NUJZTKIFHOQTFY-UHFFFAOYSA-N -1 0 348.402 3.724 20 0 EHADRM CC1(C)[C@H](C(=O)NC2(CC(=O)[O-])CCCCC2)[C@H]1c1ccccc1 ZINC001573678169 959730527 /nfs/dbraw/zinc/73/05/27/959730527.db2.gz KCYSYGAYSHBESZ-SJORKVTESA-N -1 0 329.440 3.720 20 0 EHADRM Cc1c(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])cccc1C(F)(F)F ZINC001594266660 959744298 /nfs/dbraw/zinc/74/42/98/959744298.db2.gz OMMATRXZMTZGRG-LBPRGKRZSA-N -1 0 332.322 3.635 20 0 EHADRM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)NCc1ccccc1C(=O)[O-] ZINC001573698924 959811159 /nfs/dbraw/zinc/81/11/59/959811159.db2.gz QSZFWVJRGLBRAX-UKRRQHHQSA-N -1 0 332.444 3.741 20 0 EHADRM CC(C)(C)c1ccccc1C(=O)NCc1ccccc1CC(=O)[O-] ZINC000392497984 972491039 /nfs/dbraw/zinc/49/10/39/972491039.db2.gz OUXVJJUMLYWXOZ-UHFFFAOYSA-N -1 0 325.408 3.541 20 0 EHADRM O=C([O-])CC1(NC(=O)c2ccc(F)c(C(F)(F)F)c2)CCCCC1 ZINC000392554147 972497098 /nfs/dbraw/zinc/49/70/98/972497098.db2.gz ZOTYJIFNOXURRN-UHFFFAOYSA-N -1 0 347.308 3.752 20 0 EHADRM C[C@H](CC(F)(F)F)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001123279906 960436729 /nfs/dbraw/zinc/43/67/29/960436729.db2.gz OJFPDANEUHDFRG-ZCFIWIBFSA-N -1 0 341.232 3.513 20 0 EHADRM C[C@@H]1CN(C(=O)[C@H](C(=O)[O-])C(C)(C)C)CCc2ccc(Cl)cc21 ZINC001573739131 960475474 /nfs/dbraw/zinc/47/54/74/960475474.db2.gz PENBVEZAROIPPJ-IAQYHMDHSA-N -1 0 337.847 3.575 20 0 EHADRM C[C@@H]1CCc2c(sc(NC(=O)c3coc(C4CC4)n3)c2C(=O)[O-])C1 ZINC001573739116 960476319 /nfs/dbraw/zinc/47/63/19/960476319.db2.gz ONVDFKCPUSTYRQ-MRVPVSSYSA-N -1 0 346.408 3.689 20 0 EHADRM CC(C)n1nccc1C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001573739581 960478841 /nfs/dbraw/zinc/47/88/41/960478841.db2.gz UZQVUQZXFBNCLR-JTQLQIEISA-N -1 0 347.440 3.601 20 0 EHADRM CC(C)n1nccc1C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001573739582 960479014 /nfs/dbraw/zinc/47/90/14/960479014.db2.gz UZQVUQZXFBNCLR-SNVBAGLBSA-N -1 0 347.440 3.601 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(COC(C)(C)C)cc2)CC[C@H]1C(=O)[O-] ZINC001573749089 960531513 /nfs/dbraw/zinc/53/15/13/960531513.db2.gz KUOAKGSLZVSKTC-CZUORRHYSA-N -1 0 348.443 3.576 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000392732263 972514901 /nfs/dbraw/zinc/51/49/01/972514901.db2.gz TVCJMEJUJSQPTN-LBPRGKRZSA-N -1 0 347.386 3.843 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)CCc1ccc2ccccc2c1 ZINC001574266060 960583870 /nfs/dbraw/zinc/58/38/70/960583870.db2.gz GHLVKWILANRIOQ-RDTXWAMCSA-N -1 0 325.408 3.627 20 0 EHADRM CC[C@H](NC(=O)N1CCc2c(cccc2C(=O)[O-])C1)c1ccccc1 ZINC000392766086 972519414 /nfs/dbraw/zinc/51/94/14/972519414.db2.gz GFCUWRQXFGIIDD-SFHVURJKSA-N -1 0 338.407 3.604 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cc(Cl)ccc2Br)C1 ZINC000236452018 960622893 /nfs/dbraw/zinc/62/28/93/960622893.db2.gz HKNCZJMXGUZGAV-JGVFFNPUSA-N -1 0 346.608 3.542 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001573776806 960696263 /nfs/dbraw/zinc/69/62/63/960696263.db2.gz RKMLFRPSDGJMJI-YXVBKTCISA-N -1 0 340.379 3.609 20 0 EHADRM Cc1c(F)c(C(F)(F)F)ccc1C(=O)NC(C)(C)CCC(=O)[O-] ZINC001574296602 960698217 /nfs/dbraw/zinc/69/82/17/960698217.db2.gz QQDQWEPWNINQNB-UHFFFAOYSA-N -1 0 335.297 3.526 20 0 EHADRM CCC(CC)(CNC(=O)[C@@H](OC(C)(C)C)c1ccccc1)C(=O)[O-] ZINC001573783579 960716272 /nfs/dbraw/zinc/71/62/72/960716272.db2.gz HSNNWXHMRGJFGA-HNNXBMFYSA-N -1 0 335.444 3.550 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)c3ccc(C(=O)[O-])nc3)cc2s1 ZINC000236621435 960717382 /nfs/dbraw/zinc/71/73/82/960717382.db2.gz ZKZWPNJEGIWCHC-UHFFFAOYSA-N -1 0 341.392 3.765 20 0 EHADRM CCC(CC)(CNC(=O)[C@@H](C(=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC001573783657 960718843 /nfs/dbraw/zinc/71/88/43/960718843.db2.gz PGWDOSWIZYHYMR-HNNXBMFYSA-N -1 0 337.847 3.625 20 0 EHADRM CCC(CC)(CNC(=O)[C@H](C(=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC001573783658 960719666 /nfs/dbraw/zinc/71/96/66/960719666.db2.gz PGWDOSWIZYHYMR-OAHLLOKOSA-N -1 0 337.847 3.625 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(F)c(F)c1 ZINC000236636776 960722107 /nfs/dbraw/zinc/72/21/07/960722107.db2.gz HEYODFWWLVOQTN-UHFFFAOYSA-N -1 0 335.306 3.703 20 0 EHADRM Cc1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1C(=O)[O-] ZINC000236674803 960729208 /nfs/dbraw/zinc/72/92/08/960729208.db2.gz SSMPLXAMPSDPBD-UHFFFAOYSA-N -1 0 327.380 3.834 20 0 EHADRM CC(C)(NC(=O)c1ccc(CSc2ccccc2)cc1)C(=O)[O-] ZINC000236684273 960731376 /nfs/dbraw/zinc/73/13/76/960731376.db2.gz FSXGIQQJGGIWAI-UHFFFAOYSA-N -1 0 329.421 3.572 20 0 EHADRM CC(C)CCC(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000236678362 960731484 /nfs/dbraw/zinc/73/14/84/960731484.db2.gz ZFGDFNDVUNSYDT-UHFFFAOYSA-N -1 0 331.334 3.555 20 0 EHADRM Cc1c(F)cccc1NCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001574305260 960736310 /nfs/dbraw/zinc/73/63/10/960736310.db2.gz ZWMOPQAQRKQXMB-ZDUSSCGKSA-N -1 0 332.375 3.640 20 0 EHADRM CC[C@H](CNC(=O)/C(C)=C/c1c(Cl)cccc1Cl)C(=O)[O-] ZINC001573794822 960764972 /nfs/dbraw/zinc/76/49/72/960764972.db2.gz GHRNDQMAPFEZBQ-TTZKWOQHSA-N -1 0 330.211 3.624 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])Cc1csc(CCc2ccccc2)n1 ZINC000236859620 960779478 /nfs/dbraw/zinc/77/94/78/960779478.db2.gz IDBZDGIXBXFGRU-CQSZACIVSA-N -1 0 332.469 3.613 20 0 EHADRM CCSCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000236863563 960783057 /nfs/dbraw/zinc/78/30/57/960783057.db2.gz CYIHTKGJLBSRKC-CQSZACIVSA-N -1 0 349.477 3.947 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2ccc(F)cc2OC(F)F)c1 ZINC001574317943 960798435 /nfs/dbraw/zinc/79/84/35/960798435.db2.gz CJNDXOUHINNTSF-UHFFFAOYSA-N -1 0 339.269 3.686 20 0 EHADRM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000236937523 960803541 /nfs/dbraw/zinc/80/35/41/960803541.db2.gz OZUUFLGTOOCNSY-SUMWQHHRSA-N -1 0 347.455 3.808 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)OCc2cnc(-c3ccccc3)nc2)c1 ZINC001574319335 960815381 /nfs/dbraw/zinc/81/53/81/960815381.db2.gz MOYNHLCOYZOHAH-UHFFFAOYSA-N -1 0 348.358 3.507 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2nc(-c3cccs3)ns2)c1 ZINC001574319648 960818367 /nfs/dbraw/zinc/81/83/67/960818367.db2.gz RNEYEMXTSATNNL-UHFFFAOYSA-N -1 0 345.405 3.526 20 0 EHADRM CCC[C@H](C(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000236993870 960827761 /nfs/dbraw/zinc/82/77/61/960827761.db2.gz HLKXVRADFSTYBD-SFHVURJKSA-N -1 0 325.408 3.627 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)N[C@](C)(CC)CC(=O)[O-] ZINC000237018308 960837393 /nfs/dbraw/zinc/83/73/93/960837393.db2.gz LBSPRAFIEVYMPJ-GBGXESKGSA-N -1 0 333.428 3.637 20 0 EHADRM CC[C@@H](CNC(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12)C(=O)[O-] ZINC001573804290 960842042 /nfs/dbraw/zinc/84/20/42/960842042.db2.gz PEMFAHXAAJPZRJ-ZDUSSCGKSA-N -1 0 340.423 3.570 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1ccccc1C(F)(F)F ZINC000237060659 960859054 /nfs/dbraw/zinc/85/90/54/960859054.db2.gz VFWPHFQHWDLQKO-UHFFFAOYSA-N -1 0 337.297 3.676 20 0 EHADRM CSc1ccc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])cc1 ZINC000237306915 960907571 /nfs/dbraw/zinc/90/75/71/960907571.db2.gz LNCDOGQLNHHBLB-CQSZACIVSA-N -1 0 343.448 3.772 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)NCCC1CCCCC1)C(=O)[O-] ZINC000237373047 960920088 /nfs/dbraw/zinc/92/00/88/960920088.db2.gz WKOKMFHPPQUMTN-CYBMUJFWSA-N -1 0 335.469 3.952 20 0 EHADRM C[C@@H](CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])C1CCCCC1 ZINC000237379223 960922095 /nfs/dbraw/zinc/92/20/95/960922095.db2.gz XVUMKYIQXVUQAJ-KBXCAEBGSA-N -1 0 329.440 3.631 20 0 EHADRM C[C@@H](CC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)c1ccccc1F ZINC000237380820 960922424 /nfs/dbraw/zinc/92/24/24/960922424.db2.gz UAGOMNWRCGCUSA-PYTWLRIVSA-N -1 0 333.403 3.564 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000237389364 960924716 /nfs/dbraw/zinc/92/47/16/960924716.db2.gz VMGWMUZCNOPRBJ-LLVKDONJSA-N -1 0 349.839 3.835 20 0 EHADRM Cc1cc(NC(=O)N2Cc3cc(F)c(F)cc3C2)ccc1C(=O)[O-] ZINC001574338519 960930720 /nfs/dbraw/zinc/93/07/20/960930720.db2.gz XUXKYNFBVMTRCX-UHFFFAOYSA-N -1 0 332.306 3.519 20 0 EHADRM Cc1ccc(SCc2cccc(C(=O)N[C@@H](C)C(=O)[O-])c2)c(C)c1 ZINC000237486710 960944411 /nfs/dbraw/zinc/94/44/11/960944411.db2.gz MGXHCSMGMLQVKJ-AWEZNQCLSA-N -1 0 343.448 3.799 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000237514121 960951332 /nfs/dbraw/zinc/95/13/32/960951332.db2.gz UYWXYFNMBVFXHJ-SNVBAGLBSA-N -1 0 337.297 3.895 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])o1)c1ccc(Cl)c(Cl)c1 ZINC000237520198 960953386 /nfs/dbraw/zinc/95/33/86/960953386.db2.gz AIGATQVXFQUQEF-SSDOTTSWSA-N -1 0 328.151 3.776 20 0 EHADRM Cc1cc(OC(=O)c2cccc(C(=O)[O-])c2)ccc1Br ZINC001574343567 960954070 /nfs/dbraw/zinc/95/40/70/960954070.db2.gz XXOJIFQTZOAIBN-UHFFFAOYSA-N -1 0 335.153 3.675 20 0 EHADRM Cc1oc(CNC(=O)c2ccc(SC(F)F)cc2)cc1C(=O)[O-] ZINC001319794624 960957536 /nfs/dbraw/zinc/95/75/36/960957536.db2.gz ZNUZSDLBYJOSGK-UHFFFAOYSA-N -1 0 341.335 3.531 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2SCC(F)(F)F)o1 ZINC001319867705 960965532 /nfs/dbraw/zinc/96/55/32/960965532.db2.gz WHJSPVDYAHFADA-UHFFFAOYSA-N -1 0 345.298 3.885 20 0 EHADRM C[C@@]1(C(=O)Nc2cc(C(=O)[O-])ccc2F)CCCc2ccccc21 ZINC000237615981 960974979 /nfs/dbraw/zinc/97/49/79/960974979.db2.gz VPNJOVDEZJLSGF-LJQANCHMSA-N -1 0 327.355 3.757 20 0 EHADRM Cc1cc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c(C)n1C1CC1 ZINC000237627412 960979435 /nfs/dbraw/zinc/97/94/35/960979435.db2.gz BLSYGZRUGXYUNS-UGSOOPFHSA-N -1 0 340.423 3.632 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C(=O)[O-])c1 ZINC000237660596 960988380 /nfs/dbraw/zinc/98/83/80/960988380.db2.gz YZTCJOOBFOWPMM-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM CCc1oc2ccccc2c1C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001320893541 960990228 /nfs/dbraw/zinc/99/02/28/960990228.db2.gz DQIMYIYDCHEJRK-UHFFFAOYSA-N -1 0 337.375 3.966 20 0 EHADRM Cc1sc(-c2ccco2)nc1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000237719528 961006761 /nfs/dbraw/zinc/00/67/61/961006761.db2.gz KFVKCBWSUQNJBQ-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM CCc1cccc2c(CC(=O)Nc3ccc(C(=O)[O-])cc3C)c[nH]c21 ZINC001322782144 961014839 /nfs/dbraw/zinc/01/48/39/961014839.db2.gz VMZOXVNCKCAYBS-UHFFFAOYSA-N -1 0 336.391 3.918 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1csc2c1CCCC2 ZINC000237776653 961022525 /nfs/dbraw/zinc/02/25/25/961022525.db2.gz NKQVISWCEHWSQM-UHFFFAOYSA-N -1 0 345.420 3.651 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H](C)c2cccc(C)c2)cc1 ZINC001324012274 961023217 /nfs/dbraw/zinc/02/32/17/961023217.db2.gz UKWUBYDOICXLLN-YJBOKZPZSA-N -1 0 325.408 3.739 20 0 EHADRM CCCCC[C@@H](NC(=O)c1cc(C)n(Cc2ccco2)c1C)C(=O)[O-] ZINC001324941088 961046029 /nfs/dbraw/zinc/04/60/29/961046029.db2.gz VEBYFZKWYGBYSQ-QGZVFWFLSA-N -1 0 346.427 3.510 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2ccccc2)C2CCCCC2)o1 ZINC000237971868 961059402 /nfs/dbraw/zinc/05/94/02/961059402.db2.gz IPOCAGJVLUOKRC-UHFFFAOYSA-N -1 0 327.380 3.953 20 0 EHADRM CCC[C@@H]1[C@H](C)CCCN1C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001573840903 961071834 /nfs/dbraw/zinc/07/18/34/961071834.db2.gz JSSLHEMOWCAUKH-WRWLIDTKSA-N -1 0 346.471 3.639 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCC2(c3ccc(F)cc3)CCCC2)s1 ZINC000238009426 961073848 /nfs/dbraw/zinc/07/38/48/961073848.db2.gz ZQKDIEYKVVCYQI-UHFFFAOYSA-N -1 0 347.411 3.827 20 0 EHADRM Cc1ccc(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1OC(F)F ZINC001574374190 961078080 /nfs/dbraw/zinc/07/80/80/961078080.db2.gz NLWPTFJJLFONDI-ALCCZGGFSA-N -1 0 337.278 3.540 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)c1noc2c1CCCC2 ZINC000238019323 961078236 /nfs/dbraw/zinc/07/82/36/961078236.db2.gz XRBDUVYJNDRBKH-UHFFFAOYSA-N -1 0 336.347 3.657 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCc2ccccc2Oc2ccccc2)cn1 ZINC000238021083 961078811 /nfs/dbraw/zinc/07/88/11/961078811.db2.gz FBTDJWZMWKUAAT-UHFFFAOYSA-N -1 0 348.358 3.502 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N2C[C@H]3CCCC[C@@]32c2ccccc2)cc1 ZINC001326426318 961091072 /nfs/dbraw/zinc/09/10/72/961091072.db2.gz MQLAJDJWLPKKNM-DENIHFKCSA-N -1 0 349.430 3.855 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2C[C@H]3CCCC[C@]32c2ccccc2)c1 ZINC000238062920 961091440 /nfs/dbraw/zinc/09/14/40/961091440.db2.gz MNVTZAXUJKOELS-NQIIRXRSSA-N -1 0 335.403 3.926 20 0 EHADRM Nc1c(Cl)cc(NC(=O)c2ccc(C(=O)[O-])s2)cc1Cl ZINC000238065148 961091993 /nfs/dbraw/zinc/09/19/93/961091993.db2.gz XBZMORZSZHTQSR-UHFFFAOYSA-N -1 0 331.180 3.588 20 0 EHADRM CC(C)(C)O[C@H](C(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC001588732333 961094693 /nfs/dbraw/zinc/09/46/93/961094693.db2.gz NUMZCWYVXBMALQ-QAPCUYQASA-N -1 0 347.455 3.646 20 0 EHADRM CC(C)(C)Oc1cccc(NC(=O)Nc2cncc(C(=O)[O-])c2)c1 ZINC001588734459 961123307 /nfs/dbraw/zinc/12/33/07/961123307.db2.gz MZUCZOJHENUIFR-UHFFFAOYSA-N -1 0 329.356 3.601 20 0 EHADRM O=C([O-])c1cccc(NC(=O)CCc2ccc(OC(F)F)cc2)c1 ZINC000238141063 961124309 /nfs/dbraw/zinc/12/43/09/961124309.db2.gz XTVBITCJENXEBS-UHFFFAOYSA-N -1 0 335.306 3.558 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cn2ccc3ccc(Cl)cc32)cc1 ZINC000238172274 961145227 /nfs/dbraw/zinc/14/52/27/961145227.db2.gz ZKFYIPVDDMBXDZ-UHFFFAOYSA-N -1 0 328.755 3.632 20 0 EHADRM Cc1cccc([C@@H](NC(=O)[C@@H]2CCc3c2cccc3Cl)C(=O)[O-])c1 ZINC001574390303 961168622 /nfs/dbraw/zinc/16/86/22/961168622.db2.gz UJCJIIGUQJOZOV-NVXWUHKLSA-N -1 0 343.810 3.620 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCN(C(=O)[C@@H](C(=O)[O-])C(C)(C)C)C2 ZINC001588741484 961172972 /nfs/dbraw/zinc/17/29/72/961172972.db2.gz HCGZKVQNLQQEBO-INIZCTEOSA-N -1 0 331.456 3.616 20 0 EHADRM O=C([O-])Cc1ccc(NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000243199076 961178990 /nfs/dbraw/zinc/17/89/90/961178990.db2.gz KDXFOORVQVTWIQ-UHFFFAOYSA-N -1 0 344.480 3.569 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2cncc(-c3ccccc3)c2)C(=O)[O-])c1 ZINC001574391156 961180706 /nfs/dbraw/zinc/18/07/06/961180706.db2.gz IXNLNDCEWPFUSP-IBGZPJMESA-N -1 0 346.386 3.613 20 0 EHADRM CC(C)(C)n1cc(CN2C[C@@H](CCC(=O)[O-])Cc3ccccc32)cn1 ZINC001588749281 961213816 /nfs/dbraw/zinc/21/38/16/961213816.db2.gz YPGUSJJCGAHPGC-HNNXBMFYSA-N -1 0 341.455 3.682 20 0 EHADRM CC(C)(CC(=O)N[C@](C)(C(=O)[O-])c1ccccc1)c1ccc(F)cc1 ZINC001588754764 961216593 /nfs/dbraw/zinc/21/65/93/961216593.db2.gz JRZLTMULYVKMPU-FQEVSTJZSA-N -1 0 343.398 3.610 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)c1coc(/C=C\C(=O)[O-])c1)C(C)(C)C ZINC001574407676 961266725 /nfs/dbraw/zinc/26/67/25/961266725.db2.gz NRBBMSZHEAHZTQ-QWPQOLDESA-N -1 0 342.395 3.598 20 0 EHADRM Cc1ccoc1CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001574410964 961283646 /nfs/dbraw/zinc/28/36/46/961283646.db2.gz FJXSQHIFOKVVQU-VIFPVBQESA-N -1 0 333.409 3.654 20 0 EHADRM CC(C)(CNC(=O)C1(C(=O)[O-])CCCCCC1)c1ccc(F)cc1 ZINC001588780314 961311266 /nfs/dbraw/zinc/31/12/66/961311266.db2.gz ZJNMBGBVQABDRX-UHFFFAOYSA-N -1 0 335.419 3.645 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)c1ccc(C(=O)[O-])o1 ZINC001330255047 961337645 /nfs/dbraw/zinc/33/76/45/961337645.db2.gz RWVIADMPJPXXOC-OAHLLOKOSA-N -1 0 329.396 3.770 20 0 EHADRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)CC(C1CC1)C1CC1 ZINC001330744657 961354397 /nfs/dbraw/zinc/35/43/97/961354397.db2.gz HCDHXBWGIQOAHF-UHFFFAOYSA-N -1 0 335.831 3.580 20 0 EHADRM CC(C)Sc1c(Cl)cccc1NC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC000261998713 961405361 /nfs/dbraw/zinc/40/53/61/961405361.db2.gz DJUOKCNBEBPQNN-VHSXEESVSA-N -1 0 327.833 3.890 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)c1 ZINC000262104595 961462101 /nfs/dbraw/zinc/46/21/01/961462101.db2.gz DVTGEOIMJBQUFS-IAGOWNOFSA-N -1 0 343.810 3.501 20 0 EHADRM CC(C)[C@H](CNC(=O)[C@@H](C(=O)[O-])C(C)C)c1ccc(Cl)cc1 ZINC001588805380 961477097 /nfs/dbraw/zinc/47/70/97/961477097.db2.gz VYPLFNYMWLWPTB-GJZGRUSLSA-N -1 0 325.836 3.553 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N(Cc2ccc(F)cc2)CC2CC2)c1 ZINC000262152714 961503531 /nfs/dbraw/zinc/50/35/31/961503531.db2.gz JTAOFBMHJWMUFC-UHFFFAOYSA-N -1 0 341.382 3.505 20 0 EHADRM C[C@H](NC(=O)CCc1ccccc1C(=O)[O-])C(C)(C)c1ccccc1 ZINC000262183779 961529864 /nfs/dbraw/zinc/52/98/64/961529864.db2.gz QHFOYKBWUFZMGZ-HNNXBMFYSA-N -1 0 339.435 3.800 20 0 EHADRM Cc1oc(CN(C)C(=O)CSc2ccc(C)cc2C)cc1C(=O)[O-] ZINC000262195397 961542393 /nfs/dbraw/zinc/54/23/93/961542393.db2.gz RNBGIZGQFRDZPK-UHFFFAOYSA-N -1 0 347.436 3.654 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)NC1(c2ccc(Cl)cc2)CCC1 ZINC000262242911 961585849 /nfs/dbraw/zinc/58/58/49/961585849.db2.gz UOPSAIIHBNURJI-UHFFFAOYSA-N -1 0 343.810 3.776 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1 ZINC001332605624 961598040 /nfs/dbraw/zinc/59/80/40/961598040.db2.gz CVRXUPPDSNKFNG-UHFFFAOYSA-N -1 0 342.317 3.512 20 0 EHADRM CC[C@H](NC(=O)c1csc(-c2cccc3ccccc32)n1)C(=O)[O-] ZINC001573943720 961630068 /nfs/dbraw/zinc/63/00/68/961630068.db2.gz OONCFUGKKVVPKX-AWEZNQCLSA-N -1 0 340.404 3.556 20 0 EHADRM CC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000262314112 961638454 /nfs/dbraw/zinc/63/84/54/961638454.db2.gz BWPOFLDXZILEQZ-OAHLLOKOSA-N -1 0 329.371 3.617 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)[C@@H]1CCCc2ccccc21)c1ccc(F)cc1 ZINC000262320020 961640388 /nfs/dbraw/zinc/64/03/88/961640388.db2.gz QRKNQKFPANSCDA-QZTJIDSGSA-N -1 0 341.382 3.578 20 0 EHADRM C[C@@H](CC(=O)Nc1cccc(CCC(=O)[O-])c1)c1cccc(F)c1 ZINC000262327577 961648108 /nfs/dbraw/zinc/64/81/08/961648108.db2.gz AHUHRIQCFMEEDR-ZDUSSCGKSA-N -1 0 329.371 3.975 20 0 EHADRM O=C(Nc1ccc2[nH]c(=S)[nH]c2c1)c1ccc2[n-]c(=S)oc2c1 ZINC000183230898 1125478673 /nfs/dbraw/zinc/47/86/73/1125478673.db2.gz SZSKTJMQIRVDEB-UHFFFAOYSA-N -1 0 342.405 3.534 20 0 EHADRM CCc1ccc2occ(C(=O)N3CCC[C@@](CC)(C(=O)[O-])C3)c2c1 ZINC001573960416 961682174 /nfs/dbraw/zinc/68/21/74/961682174.db2.gz HHZYSVGJRFNYPY-LJQANCHMSA-N -1 0 329.396 3.712 20 0 EHADRM CC(C)c1sc(NC(=O)[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)nc1C(=O)[O-] ZINC001333358862 961698574 /nfs/dbraw/zinc/69/85/74/961698574.db2.gz PAHQFVJKHVCNIJ-HRDYMLBCSA-N -1 0 344.383 3.585 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@H]2SCCc3sccc32)c1 ZINC000262427854 961714258 /nfs/dbraw/zinc/71/42/58/961714258.db2.gz RXGQLJXHWURIIY-INIZCTEOSA-N -1 0 347.461 3.734 20 0 EHADRM CC(C)[C@H](CNc1ccnc(CSc2ccccc2)n1)C(=O)[O-] ZINC001588831155 961722848 /nfs/dbraw/zinc/72/28/48/961722848.db2.gz GTXPTEZSSDTOJE-AWEZNQCLSA-N -1 0 331.441 3.538 20 0 EHADRM CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC000262445990 961726291 /nfs/dbraw/zinc/72/62/91/961726291.db2.gz UDVQNXSREFITRX-AWEZNQCLSA-N -1 0 333.384 3.735 20 0 EHADRM CN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001573979287 961750504 /nfs/dbraw/zinc/75/05/04/961750504.db2.gz DFKJFRVDDUXXLM-XDNAFOTISA-N -1 0 344.455 3.608 20 0 EHADRM CC(C)(CCNC(=O)CCCSc1ccc(Cl)cc1)C(=O)[O-] ZINC000262569964 961775964 /nfs/dbraw/zinc/77/59/64/961775964.db2.gz XGUOGQNSRZPYBB-UHFFFAOYSA-N -1 0 343.876 3.829 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)/C=C\Sc2cc(F)ccc2F)cc1 ZINC001574512191 961805526 /nfs/dbraw/zinc/80/55/26/961805526.db2.gz IHZWRYDGLVKYJC-FPLPWBNLSA-N -1 0 349.358 3.585 20 0 EHADRM CC[C@@H]1CN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC[C@@H]1c1ccccc1 ZINC000262721718 961827675 /nfs/dbraw/zinc/82/76/75/961827675.db2.gz PYNXRTDQMPJBHG-OWYHZJEWSA-N -1 0 343.467 3.920 20 0 EHADRM C[C@H](CC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-])c1ccc(F)cc1F ZINC000262760732 961854382 /nfs/dbraw/zinc/85/43/82/961854382.db2.gz KLDFSVAPLZXWTB-VZSAFFHGSA-N -1 0 339.382 3.608 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)CCc2ccc3[nH]ccc3c2)c2ccccc21 ZINC001574524964 961873585 /nfs/dbraw/zinc/87/35/85/961873585.db2.gz AIGBKTGUOSOTBU-HKUYNNGSSA-N -1 0 348.402 3.530 20 0 EHADRM CC[C@H](C(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccc(F)cc1 ZINC000262842899 961909345 /nfs/dbraw/zinc/90/93/45/961909345.db2.gz SHVSAKKMDPIIPV-KRWDZBQOSA-N -1 0 329.371 3.975 20 0 EHADRM C[C@H](CC1CCCC1)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000262863985 961932106 /nfs/dbraw/zinc/93/21/06/961932106.db2.gz IZWFJGLWYCRITR-FHLIZLRMSA-N -1 0 329.440 3.530 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Nc2ccc(C(=O)[O-])cc2OC)cc1 ZINC000262867367 961936987 /nfs/dbraw/zinc/93/69/87/961936987.db2.gz FSSWQWKCLBBXLR-GFCCVEGCSA-N -1 0 343.379 3.534 20 0 EHADRM CC(C)C[C@H](CNC(=O)NCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC001588852105 961938285 /nfs/dbraw/zinc/93/82/85/961938285.db2.gz NPDRWRUUEPVJMO-LLVKDONJSA-N -1 0 347.242 3.540 20 0 EHADRM C[C@H]1CN(C(=O)C2(Sc3ccccc3)CCCC2)CC[C@H]1C(=O)[O-] ZINC000262872846 961943016 /nfs/dbraw/zinc/94/30/16/961943016.db2.gz GEIQVNCKFLWXJR-GOEBONIOSA-N -1 0 347.480 3.661 20 0 EHADRM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001574015720 961943359 /nfs/dbraw/zinc/94/33/59/961943359.db2.gz JELQXBNNSAINAL-AWEZNQCLSA-N -1 0 343.345 3.555 20 0 EHADRM C[C@@H](NC(=O)C[C@@H]1CCC[C@@H](C)C1)c1ccc(OCC(=O)[O-])cc1 ZINC000262900218 961977875 /nfs/dbraw/zinc/97/78/75/961977875.db2.gz CXIYZXIDZKGLPK-RBSFLKMASA-N -1 0 333.428 3.544 20 0 EHADRM CN(C(=O)c1ccc(C2CCC2)cc1)c1ccc(OCC(=O)[O-])cc1 ZINC000262909182 961987997 /nfs/dbraw/zinc/98/79/97/961987997.db2.gz DLASDJAVVZHMOG-UHFFFAOYSA-N -1 0 339.391 3.694 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)CCCc1ccccc1 ZINC000262932107 962016037 /nfs/dbraw/zinc/01/60/37/962016037.db2.gz LJDBXSSZBBHNFW-AWEZNQCLSA-N -1 0 341.407 3.991 20 0 EHADRM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262936784 962021630 /nfs/dbraw/zinc/02/16/30/962021630.db2.gz MZMGROWIEZTHDO-HAQNSBGRSA-N -1 0 344.238 3.843 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cc3c(ccc4ccccc34)[nH]2)CCCC1 ZINC000262971225 962057779 /nfs/dbraw/zinc/05/77/79/962057779.db2.gz SOYOUJWLRHQINM-UHFFFAOYSA-N -1 0 336.391 3.838 20 0 EHADRM CC(C)CN(C(=O)c1cc(C(=O)[O-])n[nH]1)[C@@H](C)c1ccccc1Cl ZINC001588871195 962085304 /nfs/dbraw/zinc/08/53/04/962085304.db2.gz NZHFJTJBVHNOBG-NSHDSACASA-N -1 0 349.818 3.621 20 0 EHADRM C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCCCCC(=O)[O-] ZINC001340495417 962099844 /nfs/dbraw/zinc/09/98/44/962099844.db2.gz ZOVJTCZSQLXLBN-WBVHZDCISA-N -1 0 332.444 3.609 20 0 EHADRM C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCCCCC(=O)[O-] ZINC001340495413 962099984 /nfs/dbraw/zinc/09/99/84/962099984.db2.gz ZOVJTCZSQLXLBN-DOTOQJQBSA-N -1 0 332.444 3.609 20 0 EHADRM CC(C)COC[C@@H](NC(=O)Nc1ccccc1C(=O)[O-])c1ccco1 ZINC001588875746 962119607 /nfs/dbraw/zinc/11/96/07/962119607.db2.gz SNPBBAIVQTZTHE-OAHLLOKOSA-N -1 0 346.383 3.513 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)C1 ZINC000263022588 962129643 /nfs/dbraw/zinc/12/96/43/962129643.db2.gz OOWQNPGINCAGQC-OPYAIIAOSA-N -1 0 337.419 3.657 20 0 EHADRM CC(C)COc1ccccc1NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001588880261 962136318 /nfs/dbraw/zinc/13/63/18/962136318.db2.gz DHSWWBUHNCROBT-FPLPWBNLSA-N -1 0 329.352 3.665 20 0 EHADRM CC(C)C[C@@H](NC(=O)Nc1ccccc1COC(C)(C)C)C(=O)[O-] ZINC001588884291 962166305 /nfs/dbraw/zinc/16/63/05/962166305.db2.gz NPPYBMWLXRRDSU-OAHLLOKOSA-N -1 0 336.432 3.623 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1ccc([C@H](C)C(F)(F)F)cc1)C(=O)[O-] ZINC001588886671 962178103 /nfs/dbraw/zinc/17/81/03/962178103.db2.gz UPBHTTTXDBTAJO-GXFFZTMASA-N -1 0 331.334 3.582 20 0 EHADRM Cc1ccc(OCC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cc1C ZINC000263053414 962186720 /nfs/dbraw/zinc/18/67/20/962186720.db2.gz FDFZAXDCWOMRBO-CQSZACIVSA-N -1 0 327.380 3.509 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCc2ccsc2[C@H]1C)CC(=O)[O-] ZINC001588892765 962211788 /nfs/dbraw/zinc/21/17/88/962211788.db2.gz DYXCGJAJTCXTEA-OLZOCXBDSA-N -1 0 338.473 3.514 20 0 EHADRM CCC[C@@H](C(=O)N1CCCC[C@@H]1c1ccc(C(=O)[O-])n1C)C(C)C ZINC001344591533 962212344 /nfs/dbraw/zinc/21/23/44/962212344.db2.gz DYTBCSJOJJLWGA-GDBMZVCRSA-N -1 0 334.460 3.849 20 0 EHADRM CC(C)(COCc1ccccc1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000263080108 962223131 /nfs/dbraw/zinc/22/31/31/962223131.db2.gz GVXVCMBJLMWBJQ-UHFFFAOYSA-N -1 0 327.380 3.566 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)NCC(C)(C)c1ccc(Cl)cc1 ZINC000263082384 962227403 /nfs/dbraw/zinc/22/74/03/962227403.db2.gz ZGRCBMBRGKJWGJ-UHFFFAOYSA-N -1 0 349.814 3.576 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N[C@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000263085013 962231114 /nfs/dbraw/zinc/23/11/14/962231114.db2.gz ZNYYALCOHHABNA-KGLIPLIRSA-N -1 0 335.444 3.940 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1ccc(Oc2ccncc2)c(Cl)c1)C1CC1 ZINC001574617988 962239423 /nfs/dbraw/zinc/23/94/23/962239423.db2.gz ZRNAQUYUACSAHJ-HNNXBMFYSA-N -1 0 346.770 3.577 20 0 EHADRM CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C[C@@H](C)CC(=O)[O-] ZINC001345170869 962253774 /nfs/dbraw/zinc/25/37/74/962253774.db2.gz NFGYZQIEIJGWPL-LLVKDONJSA-N -1 0 331.334 3.555 20 0 EHADRM CC[C@@H](C)CC(=O)N[C@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000263109960 962262130 /nfs/dbraw/zinc/26/21/30/962262130.db2.gz JMXQXQOJTQFNGK-ZWNOBZJWSA-N -1 0 347.333 3.653 20 0 EHADRM Cc1ccc(-c2ccc(Cl)cc2NC(=O)N2CC[C@@H](C(=O)[O-])C2)o1 ZINC000263114080 962267044 /nfs/dbraw/zinc/26/70/44/962267044.db2.gz WBAJMBWBSHQPGW-LLVKDONJSA-N -1 0 348.786 3.847 20 0 EHADRM Cc1ccc(-c2ccc(Cl)cc2NC(=O)N2CC[C@H](C(=O)[O-])C2)o1 ZINC000263114082 962267820 /nfs/dbraw/zinc/26/78/20/962267820.db2.gz WBAJMBWBSHQPGW-NSHDSACASA-N -1 0 348.786 3.847 20 0 EHADRM CC(C)(CCNC(=O)Cc1csc2ccc(Cl)cc12)C(=O)[O-] ZINC000263120088 962273591 /nfs/dbraw/zinc/27/35/91/962273591.db2.gz VFINCLDGDKMZHU-UHFFFAOYSA-N -1 0 339.844 3.714 20 0 EHADRM CC(C)Cc1ccccc1CNC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588906541 962286952 /nfs/dbraw/zinc/28/69/52/962286952.db2.gz OSEBRMTWIOBCMI-INIZCTEOSA-N -1 0 346.471 3.672 20 0 EHADRM C[C@H](CC(F)(F)F)C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001345779177 962290672 /nfs/dbraw/zinc/29/06/72/962290672.db2.gz DJPAPBVOEGDKLF-ZWNOBZJWSA-N -1 0 343.345 3.509 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3C[C@@H]4CCC[C@H]4[C@H]3C(=O)[O-])s2)o1 ZINC000263149037 962301847 /nfs/dbraw/zinc/30/18/47/962301847.db2.gz YYSUFOQAAYRMKO-OZVIIMIRSA-N -1 0 345.420 3.642 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)CCCc1ccc2c(c1)-c1ccccc1C2 ZINC000263149251 962301865 /nfs/dbraw/zinc/30/18/65/962301865.db2.gz WTYKVYHSWYOTRU-AWEZNQCLSA-N -1 0 337.419 3.560 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000263173633 962327062 /nfs/dbraw/zinc/32/70/62/962327062.db2.gz GHUWBLVXAMKPMA-QGZVFWFLSA-N -1 0 335.400 3.676 20 0 EHADRM Cc1cccc(OCCCC(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c1 ZINC000263176880 962329951 /nfs/dbraw/zinc/32/99/51/962329951.db2.gz GTWBGSCEMXCTDJ-OAHLLOKOSA-N -1 0 341.407 3.981 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cccc([C@H]3CCOC3)c2)cc1 ZINC000263197304 962351713 /nfs/dbraw/zinc/35/17/13/962351713.db2.gz JIXOGILWNWLBHO-GUYCJALGSA-N -1 0 339.391 3.631 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)CCCCC(=O)[O-])cn2)cc1 ZINC000263245572 962389297 /nfs/dbraw/zinc/38/92/97/962389297.db2.gz DAQMVGVFQIOSFZ-UHFFFAOYSA-N -1 0 328.368 3.766 20 0 EHADRM C[C@@H](Oc1ccc(C(=O)N(C)C[C@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC000263248353 962391716 /nfs/dbraw/zinc/39/17/16/962391716.db2.gz SMQOZBVMDVLFMP-LSDHHAIUSA-N -1 0 341.407 3.619 20 0 EHADRM CC(C)c1ccc(C[C@@H](C)NC(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000263280216 962419296 /nfs/dbraw/zinc/41/92/96/962419296.db2.gz SVSWLDJLQORYDD-RWBZWWBESA-N -1 0 346.471 3.684 20 0 EHADRM CC(C)c1ccc(OCC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1 ZINC000263287848 962427602 /nfs/dbraw/zinc/42/76/02/962427602.db2.gz YHGRFXZEPMQYIJ-UHFFFAOYSA-N -1 0 345.370 3.594 20 0 EHADRM CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)c1ccc(C2CCC2)cc1 ZINC000263302024 962441576 /nfs/dbraw/zinc/44/15/76/962441576.db2.gz UVCNZSHATGNZMV-OAHLLOKOSA-N -1 0 347.455 3.544 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)c1 ZINC000263334306 962481616 /nfs/dbraw/zinc/48/16/16/962481616.db2.gz QNAZHMRYPJQDCK-COLVAYQJSA-N -1 0 345.345 3.895 20 0 EHADRM O=C([O-])CCCCC(=O)NCC1(c2c(F)cccc2F)CCCC1 ZINC000263339350 962491065 /nfs/dbraw/zinc/49/10/65/962491065.db2.gz XBHMEUQXJTXKBK-UHFFFAOYSA-N -1 0 339.382 3.538 20 0 EHADRM COc1ccc(CCCC(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)cc1 ZINC000263343325 962495522 /nfs/dbraw/zinc/49/55/22/962495522.db2.gz SOLOHCTXWGXVNE-CQSZACIVSA-N -1 0 341.407 3.845 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2Cc3ccccc3C[C@H]2c2ccccc2)C1 ZINC000263346069 962499427 /nfs/dbraw/zinc/49/94/27/962499427.db2.gz UAJXEUHWLXLVNE-NSHGMRRFSA-N -1 0 349.430 3.814 20 0 EHADRM CC(C)Oc1ccc(CCNC(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC001588937991 962511878 /nfs/dbraw/zinc/51/18/78/962511878.db2.gz CHPDGVKKMCDZQE-UHFFFAOYSA-N -1 0 342.395 3.536 20 0 EHADRM Cc1oc(-c2ccccc2)cc1C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001349986745 962523647 /nfs/dbraw/zinc/52/36/47/962523647.db2.gz RHSUZZZKNOXESW-GOEBONIOSA-N -1 0 327.380 3.628 20 0 EHADRM CC(C)Oc1ccc(NC(=O)c2coc(/C=C\C(=O)[O-])c2)c(F)c1 ZINC001588940725 962529209 /nfs/dbraw/zinc/52/92/09/962529209.db2.gz UNOOTXUNSAIYGV-XQRVVYSFSA-N -1 0 333.315 3.556 20 0 EHADRM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2cc(C(=O)[O-])ccn2)cc1 ZINC000263378238 962535082 /nfs/dbraw/zinc/53/50/82/962535082.db2.gz BXNGYELCGXHUAO-KSSFIOAISA-N -1 0 338.407 3.702 20 0 EHADRM Cc1cc2occ(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)c2cc1C ZINC000263408267 962573592 /nfs/dbraw/zinc/57/35/92/962573592.db2.gz IEYLLQGMWAJKDP-AWEZNQCLSA-N -1 0 329.396 3.767 20 0 EHADRM CC(C)(C)NC(=O)c1ccc(NCc2cccc(C(=O)[O-])c2)cc1 ZINC000263435655 962614025 /nfs/dbraw/zinc/61/40/25/962614025.db2.gz UMJFYZOSPPDTMT-UHFFFAOYSA-N -1 0 326.396 3.525 20 0 EHADRM CCCC[C@@H](NC(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000263455859 962643933 /nfs/dbraw/zinc/64/39/33/962643933.db2.gz UODMRIQDXZTPOP-LLVKDONJSA-N -1 0 337.725 3.732 20 0 EHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)c2c(C)coc2CC(=O)[O-])o1 ZINC000263478642 962664636 /nfs/dbraw/zinc/66/46/36/962664636.db2.gz ZXGHZAQPAWAZSW-AWEZNQCLSA-N -1 0 345.395 3.874 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000263485155 962671147 /nfs/dbraw/zinc/67/11/47/962671147.db2.gz VJCSZEMKJHVBTJ-HNNXBMFYSA-N -1 0 341.194 3.554 20 0 EHADRM O=C([O-])C1CCC(Nc2ccc(F)cc2OCC(F)(F)F)CC1 ZINC000263492527 962676361 /nfs/dbraw/zinc/67/63/61/962676361.db2.gz RRPWFJKFGOOYEX-UHFFFAOYSA-N -1 0 335.297 3.822 20 0 EHADRM C[C@@H](CCC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000263517865 962698499 /nfs/dbraw/zinc/69/84/99/962698499.db2.gz FPGSRFZXPVSSCD-KXBFYZLASA-N -1 0 337.419 3.781 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000263531254 962712653 /nfs/dbraw/zinc/71/26/53/962712653.db2.gz MLVYKWJEWUZQQI-AEFFLSMTSA-N -1 0 341.382 3.519 20 0 EHADRM Cc1ccc(C)c(CN(C)C(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000263579615 962745433 /nfs/dbraw/zinc/74/54/33/962745433.db2.gz UYZUPUOQLHYQPR-UHFFFAOYSA-N -1 0 325.408 3.593 20 0 EHADRM COc1cc([C@H](C)NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)cc2ccccc21 ZINC001574177452 962801816 /nfs/dbraw/zinc/80/18/16/962801816.db2.gz DWDJKCJJSNXFQO-FKIZINRSSA-N -1 0 341.407 3.527 20 0 EHADRM Cn1c(C(=O)[O-])ccc1[C@H]1CCCCN1C(=O)C[C@H]1CC=CCC1 ZINC001517448284 962805367 /nfs/dbraw/zinc/80/53/67/962805367.db2.gz OHLJVXZPRCMRFM-GOEBONIOSA-N -1 0 330.428 3.523 20 0 EHADRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)c1cc(-n2cccc2)ccc1Cl ZINC001520193542 962842679 /nfs/dbraw/zinc/84/26/79/962842679.db2.gz OQDFZFITONAGPQ-BLLLJJGKSA-N -1 0 346.814 3.504 20 0 EHADRM C[C@@H](Oc1ccccc1NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001526676155 962870573 /nfs/dbraw/zinc/87/05/73/962870573.db2.gz HIXXIVRFFBEHEO-BMFZPTHFSA-N -1 0 339.391 3.876 20 0 EHADRM COc1cc(NC(=O)NCC(C)(C)C2=CCCC2)ccc1C(=O)[O-] ZINC000308757599 963300242 /nfs/dbraw/zinc/30/02/42/963300242.db2.gz AHTMMIBPXYPPTF-UHFFFAOYSA-N -1 0 332.400 3.651 20 0 EHADRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)C1(C)CCCC1 ZINC000312456876 963564405 /nfs/dbraw/zinc/56/44/05/963564405.db2.gz KRDIPMZMKBAIMP-UHFFFAOYSA-N -1 0 340.217 3.975 20 0 EHADRM Cc1ccc(CNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])nc1C ZINC000313960242 963694627 /nfs/dbraw/zinc/69/46/27/963694627.db2.gz RFQZWSWAJDKXBW-UHFFFAOYSA-N -1 0 335.747 3.570 20 0 EHADRM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000314288902 963736057 /nfs/dbraw/zinc/73/60/57/963736057.db2.gz RNLRIPYVDJWZCK-NWDGAFQWSA-N -1 0 344.238 3.843 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2ccc(Cl)cc2F)CCCCC1 ZINC000315497463 963909222 /nfs/dbraw/zinc/90/92/22/963909222.db2.gz WYMDJLCHPZGWDU-UHFFFAOYSA-N -1 0 328.771 3.778 20 0 EHADRM CC(C)C[C@@H](NC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000236577942 967778290 /nfs/dbraw/zinc/77/82/90/967778290.db2.gz WIDWJWDXRSWVRC-MELADBBJSA-N -1 0 344.238 3.712 20 0 EHADRM CC(C)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000236788560 967781301 /nfs/dbraw/zinc/78/13/01/967781301.db2.gz WIDWJWDXRSWVRC-BFHYXJOUSA-N -1 0 344.238 3.712 20 0 EHADRM COc1ccc([C@H](NC(=O)c2cccc(C(=O)[O-])c2)C(C)C)cc1 ZINC000237269711 967783029 /nfs/dbraw/zinc/78/30/29/967783029.db2.gz SNRJHAYUHBUZKM-QGZVFWFLSA-N -1 0 327.380 3.521 20 0 EHADRM C[C@@H](CN(C)C(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1)C(=O)[O-] ZINC000262922119 967831710 /nfs/dbraw/zinc/83/17/10/967831710.db2.gz FRBMYBDCZCGAJR-WFASDCNBSA-N -1 0 338.423 3.665 20 0 EHADRM Cc1c(C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)sc2cccc(F)c12 ZINC000263346320 967876309 /nfs/dbraw/zinc/87/63/09/967876309.db2.gz ORSSNFWEJYHKQC-KOLCDFICSA-N -1 0 335.400 3.532 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@@H](C)c2cc(C)sc2C)C1 ZINC000320423532 968005587 /nfs/dbraw/zinc/00/55/87/968005587.db2.gz IBWQNWOBQSVBNH-YVEFUNNKSA-N -1 0 338.473 3.712 20 0 EHADRM C[C@@H]1CCC[C@H](n2c(=O)c3ccccc3nc2SCC(=O)[O-])[C@@H]1C ZINC000323833428 968026584 /nfs/dbraw/zinc/02/65/84/968026584.db2.gz INVSURROGMTKAG-JMSVASOKSA-N -1 0 346.452 3.570 20 0 EHADRM C[C@@H]1CCC[C@@H](n2c(=O)c3ccccc3nc2SCC(=O)[O-])[C@@H]1C ZINC000323833429 968026813 /nfs/dbraw/zinc/02/68/13/968026813.db2.gz INVSURROGMTKAG-LALPHHSUSA-N -1 0 346.452 3.570 20 0 EHADRM O=C([O-])[C@@H]1CCN(Cc2ccn(C3CCCC3)n2)c2ccccc21 ZINC000325889572 968041329 /nfs/dbraw/zinc/04/13/29/968041329.db2.gz RIUBXYYHWSUNDN-QGZVFWFLSA-N -1 0 325.412 3.577 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)Nc1cc(Cl)c(F)c(Cl)c1)C1CC1 ZINC000383410602 968113742 /nfs/dbraw/zinc/11/37/42/968113742.db2.gz VDALQVYXTXPZEP-LURJTMIESA-N -1 0 335.162 3.602 20 0 EHADRM CC(C)(CCNC(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1)C(=O)[O-] ZINC000424449836 968368639 /nfs/dbraw/zinc/36/86/39/968368639.db2.gz MJJXRIZNFWEUON-CVEARBPZSA-N -1 0 332.444 3.513 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000653288120 968639260 /nfs/dbraw/zinc/63/92/60/968639260.db2.gz LAJSQBXBVDSTSE-CYBMUJFWSA-N -1 0 339.819 3.561 20 0 EHADRM Cc1ccc(SCC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c(C)c1 ZINC000655584152 968689078 /nfs/dbraw/zinc/68/90/78/968689078.db2.gz WNXSKCDSKMTASR-QLFBSQMISA-N -1 0 349.496 3.647 20 0 EHADRM C[C@H](CNC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000655888913 968705834 /nfs/dbraw/zinc/70/58/34/968705834.db2.gz PEFYGQCKGUQVAU-CZUORRHYSA-N -1 0 332.444 3.551 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)[C@]3(C(=O)[O-])CC3(C)C)ccc2o1 ZINC000663030003 968762367 /nfs/dbraw/zinc/76/23/67/968762367.db2.gz RHEYVRCBNOXGPQ-SFHVURJKSA-N -1 0 330.384 3.565 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc2[nH]c(-c3ccco3)nc2c1 ZINC000663032955 968764498 /nfs/dbraw/zinc/76/44/98/968764498.db2.gz UOPIHMWCMNUJOA-CQSZACIVSA-N -1 0 341.367 3.508 20 0 EHADRM CCOc1cccc2cc([C@@H](C)NC(=O)[C@@]3(C(=O)[O-])CC3(C)C)oc21 ZINC000663093465 968799180 /nfs/dbraw/zinc/79/91/80/968799180.db2.gz BAEZQSKZNGAGAF-NSPYISDASA-N -1 0 345.395 3.510 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)CC1CCC(C(F)(F)F)CC1 ZINC000683326322 968871671 /nfs/dbraw/zinc/87/16/71/968871671.db2.gz UZMVHCHDVSGOOU-WXRRBKDZSA-N -1 0 335.366 3.601 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C ZINC000846714456 969256363 /nfs/dbraw/zinc/25/63/63/969256363.db2.gz MIWSVJBQUMKTIJ-KDOFPFPSSA-N -1 0 342.439 3.649 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)C(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C ZINC000846714455 969256590 /nfs/dbraw/zinc/25/65/90/969256590.db2.gz MIWSVJBQUMKTIJ-KBXCAEBGSA-N -1 0 342.439 3.649 20 0 EHADRM O=C([O-])CCCC(=O)N(Cc1c(Cl)cccc1Cl)C1CC1 ZINC000872987067 969354346 /nfs/dbraw/zinc/35/43/46/969354346.db2.gz YLKCCYBBWVHTFO-UHFFFAOYSA-N -1 0 330.211 3.739 20 0 EHADRM Cc1ccccc1[C@@H](C)N(C)C(=O)NCc1ccccc1C(=O)[O-] ZINC000874408191 969387248 /nfs/dbraw/zinc/38/72/48/969387248.db2.gz BQWGOYRUZLJUHV-CQSZACIVSA-N -1 0 326.396 3.596 20 0 EHADRM CC(C)(C)CC[C@H](Nc1cc(Cl)nc([C@H]2CCCO2)n1)C(=O)[O-] ZINC000886910571 969407848 /nfs/dbraw/zinc/40/78/48/969407848.db2.gz SFBQJDFHOXPQSY-WDEREUQCSA-N -1 0 341.839 3.673 20 0 EHADRM CCC(=O)c1cccc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000899312112 969419292 /nfs/dbraw/zinc/41/92/92/969419292.db2.gz SEFOSNHTIIZCAL-OAHLLOKOSA-N -1 0 332.400 3.531 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)c2coc(/C=C/C(=O)[O-])c2)cc1 ZINC000901793473 969475920 /nfs/dbraw/zinc/47/59/20/969475920.db2.gz LIEJDFAYHQHAFA-KBOKABMXSA-N -1 0 325.364 3.663 20 0 EHADRM Cc1ccccc1C[C@@H]1CCCN1C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC000901836944 969481796 /nfs/dbraw/zinc/48/17/96/969481796.db2.gz UWNXCFSGFPRDON-IJDCCNJMSA-N -1 0 339.391 3.533 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2ccsc2C(F)F)Cc2ccccc21 ZINC000923071149 969645422 /nfs/dbraw/zinc/64/54/22/969645422.db2.gz UGNGMBFQOGNPLU-GFCCVEGCSA-N -1 0 337.347 3.510 20 0 EHADRM COCC[C@H]1CCN(C(=O)c2cccc(C(=O)[O-])c2)c2ccccc21 ZINC001345809113 969762434 /nfs/dbraw/zinc/76/24/34/969762434.db2.gz OZEJGKLKGLEJHN-CQSZACIVSA-N -1 0 339.391 3.555 20 0 EHADRM Cc1ccc(C(=O)CC(C)(C)CC(=O)N[C@H](CC(C)C)C(=O)[O-])cc1 ZINC001574351335 969855244 /nfs/dbraw/zinc/85/52/44/969855244.db2.gz OKZIDIKJPKDVGH-MRXNPFEDSA-N -1 0 347.455 3.600 20 0 EHADRM CC(C)[C@@H](NC(=O)c1cc(F)c(Oc2ccccc2)c(F)c1)C(=O)[O-] ZINC001588949292 969906743 /nfs/dbraw/zinc/90/67/43/969906743.db2.gz HPBLQLCCAWCUCO-OAHLLOKOSA-N -1 0 349.333 3.596 20 0 EHADRM CC(C)C[C@@H](CNC(=O)/C=C/c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000317247463 970341886 /nfs/dbraw/zinc/34/18/86/970341886.db2.gz PFWOGAQGWIWTEN-PCAWENJQSA-N -1 0 344.238 3.870 20 0 EHADRM CCc1cc(C(=O)Nc2sc(C)c(C)c2C(=O)[O-])cc(Cl)n1 ZINC000318903930 970487241 /nfs/dbraw/zinc/48/72/41/970487241.db2.gz SJXJXYSESNSFTG-UHFFFAOYSA-N -1 0 338.816 3.926 20 0 EHADRM CC(C)(C)[C@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000318937086 970491028 /nfs/dbraw/zinc/49/10/28/970491028.db2.gz RBTPRPAZZLRNNT-VIFPVBQESA-N -1 0 326.780 3.819 20 0 EHADRM CCc1ccc(NC(=O)CSCc2cccs2)c(C(=O)[O-])c1 ZINC000319079755 970502253 /nfs/dbraw/zinc/50/22/53/970502253.db2.gz LDYIZZNIQSHQIR-UHFFFAOYSA-N -1 0 335.450 3.881 20 0 EHADRM CC(C)(c1ccc(NC(=O)N2CCC[C@H]2C(=O)[O-])cc1)C(F)(F)F ZINC001609789549 970529353 /nfs/dbraw/zinc/52/93/53/970529353.db2.gz SGNFTNQXLSXPNK-LBPRGKRZSA-N -1 0 344.333 3.607 20 0 EHADRM O=C([O-])c1cccc(OCc2noc(-c3ccccc3Cl)n2)c1 ZINC000319567064 970549539 /nfs/dbraw/zinc/54/95/39/970549539.db2.gz QGLNKJOGBNZZNL-UHFFFAOYSA-N -1 0 330.727 3.667 20 0 EHADRM CCOc1ccc2[nH]c(SCc3cc(C)c(C(=O)[O-])o3)nc2c1 ZINC000319626949 970554863 /nfs/dbraw/zinc/55/48/63/970554863.db2.gz NMCXXMXXDAVZDQ-UHFFFAOYSA-N -1 0 332.381 3.854 20 0 EHADRM O=C([O-])c1ccc(OCCOc2ccc(C(F)(F)F)cc2)cc1 ZINC000319840299 970578440 /nfs/dbraw/zinc/57/84/40/970578440.db2.gz OFXVUWAHGLYNAJ-UHFFFAOYSA-N -1 0 326.270 3.861 20 0 EHADRM Cc1cc(NC(=O)CSc2nc3ccccc3o2)sc1C(=O)[O-] ZINC000319837628 970578740 /nfs/dbraw/zinc/57/87/40/970578740.db2.gz OBRZVLSNITZLLS-UHFFFAOYSA-N -1 0 348.405 3.627 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)Nc2cc(Cl)ccc2F)c1 ZINC000320358822 970653149 /nfs/dbraw/zinc/65/31/49/970653149.db2.gz BHFQWSGYLDTMSF-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)c1cc2ccccc2c(Cl)n1 ZINC000320376128 970656158 /nfs/dbraw/zinc/65/61/58/970656158.db2.gz PZRXYVNYKYEUFQ-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM O=C([O-])c1ccc(SCC(=O)N2CCC[C@H]3CCCC[C@@H]32)cc1 ZINC000320654412 970692019 /nfs/dbraw/zinc/69/20/19/970692019.db2.gz KPDKCLZNOUWQRM-CJNGLKHVSA-N -1 0 333.453 3.658 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)Nc2ccccc2Cl)Cc2ccccc21 ZINC000320765442 970712333 /nfs/dbraw/zinc/71/23/33/970712333.db2.gz QDYXTHGQJZOWCM-ZDUSSCGKSA-N -1 0 330.771 3.556 20 0 EHADRM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001603287476 972532630 /nfs/dbraw/zinc/53/26/30/972532630.db2.gz YABFUZLFRMUYHD-LSJOCFKGSA-N -1 0 345.226 3.559 20 0 EHADRM O=C([O-])Cc1occc1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000392872483 972536985 /nfs/dbraw/zinc/53/69/85/972536985.db2.gz ZXDJSVVVHSTCDC-UHFFFAOYSA-N -1 0 337.331 3.951 20 0 EHADRM C[C@@H](CC1CCCCC1)NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001604979049 972570317 /nfs/dbraw/zinc/57/03/17/972570317.db2.gz MFUHHGNRRBILKD-KSSFIOAISA-N -1 0 344.455 3.739 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NCCCc1ccc(Cl)cc1Cl ZINC001603321062 972639938 /nfs/dbraw/zinc/63/99/38/972639938.db2.gz PHHOVQZJWSQGHC-MRXNPFEDSA-N -1 0 344.238 3.543 20 0 EHADRM O=C([O-])[C@@H](C(=O)N1CC[C@@H](c2ccccc2)c2ccccc21)C1CC1 ZINC001605891717 972690390 /nfs/dbraw/zinc/69/03/90/972690390.db2.gz ZJYCQRLBJYUUIK-QFBILLFUSA-N -1 0 335.403 3.666 20 0 EHADRM Cc1c2cccc(C)c2oc1CN(C)C(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC001605082569 972725959 /nfs/dbraw/zinc/72/59/59/972725959.db2.gz QSWFFMSXKBBRGS-IBGZPJMESA-N -1 0 329.396 3.509 20 0 EHADRM O=C([O-])C1(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)CCCCC1 ZINC001605909014 972755312 /nfs/dbraw/zinc/75/53/12/972755312.db2.gz FSXJNNTUCZTINX-UHFFFAOYSA-N -1 0 347.430 3.642 20 0 EHADRM O=C([O-])C1(C(=O)N2CC[C@@](F)(c3ccccc3)C2)CCCCCC1 ZINC001605909078 972755917 /nfs/dbraw/zinc/75/59/17/972755917.db2.gz ITVGETWHGFWJKV-IBGZPJMESA-N -1 0 333.403 3.509 20 0 EHADRM O=C([O-])C1(C(=O)N2CC[C@](F)(c3ccccc3)C2)CCCCCC1 ZINC001605909079 972756034 /nfs/dbraw/zinc/75/60/34/972756034.db2.gz ITVGETWHGFWJKV-LJQANCHMSA-N -1 0 333.403 3.509 20 0 EHADRM Cc1cc(C)c(/C=C\C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1C ZINC001605146467 972830644 /nfs/dbraw/zinc/83/06/44/972830644.db2.gz NIVATNPEOHYPCE-KUFMOJEASA-N -1 0 337.419 3.741 20 0 EHADRM Cc1csc([C@H](C)NC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)n1 ZINC000396422074 972878839 /nfs/dbraw/zinc/87/88/39/972878839.db2.gz DZEYXRNMXSSGDY-QWRGUYRKSA-N -1 0 333.413 3.522 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc(C3CCOCC3)c2)CCCCC1 ZINC001605942212 972890210 /nfs/dbraw/zinc/89/02/10/972890210.db2.gz NDKYOTCSVQPLAP-UHFFFAOYSA-N -1 0 331.412 3.554 20 0 EHADRM O=C([O-])[C@]1(C(=O)O[C@@H]2CCCc3c(F)cc(F)cc32)CC=CCC1 ZINC001605950304 972908238 /nfs/dbraw/zinc/90/82/38/972908238.db2.gz BXHQVMABIRHKAJ-QAPCUYQASA-N -1 0 336.334 3.697 20 0 EHADRM O=C([O-])C1(CCSc2nc3cc(Cl)ccc3c(=O)[nH]2)CCC1 ZINC001605951235 972913251 /nfs/dbraw/zinc/91/32/51/972913251.db2.gz SUVMDPVTQLLWAX-UHFFFAOYSA-N -1 0 338.816 3.726 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1)CC(F)(F)F ZINC000396900049 972948602 /nfs/dbraw/zinc/94/86/02/972948602.db2.gz CQEYJSPUJBSXMC-ZJUUUORDSA-N -1 0 332.322 3.585 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001605223905 972972762 /nfs/dbraw/zinc/97/27/62/972972762.db2.gz KBRLKZWIBAYXTL-MBVDDHJVSA-N -1 0 343.379 3.722 20 0 EHADRM O=C([O-])C1CC(Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)C1 ZINC001605984731 973029907 /nfs/dbraw/zinc/02/99/07/973029907.db2.gz WWNMZSSLHSVCLW-UBHUBRDASA-N -1 0 339.819 3.563 20 0 EHADRM C[C@H]1CCCCN1C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001603405595 973062623 /nfs/dbraw/zinc/06/26/23/973062623.db2.gz VNIDUFUWXBXQFK-AWEZNQCLSA-N -1 0 330.428 3.559 20 0 EHADRM Cc1ccc(CNC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)c(OC(C)C)c1 ZINC001605273838 973065245 /nfs/dbraw/zinc/06/52/45/973065245.db2.gz SUTCNRKODGSKHB-UHFFFAOYSA-N -1 0 347.455 3.535 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1ncc(Cl)cc1Cl ZINC001605321552 973160098 /nfs/dbraw/zinc/16/00/98/973160098.db2.gz JNYWJUZWPRBFOX-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2ccc(OC(C)(C)C)cc2)C(=O)[O-])c1 ZINC001605327761 973170970 /nfs/dbraw/zinc/17/09/70/973170970.db2.gz GDQVMHCIWFNZMJ-KRWDZBQOSA-N -1 0 341.407 3.728 20 0 EHADRM Cc1cc2cc(NC(=O)N[C@H](C(=O)[O-])c3cccc(C)c3)ccc2[nH]1 ZINC001605327707 973171460 /nfs/dbraw/zinc/17/14/60/973171460.db2.gz GBMAISFNIWRNOI-KRWDZBQOSA-N -1 0 337.379 3.732 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2cc(-c3ccccc3)ccn2)C(=O)[O-])c1 ZINC001605327738 973171505 /nfs/dbraw/zinc/17/15/05/973171505.db2.gz FKFHZPHFEUNMKX-LJQANCHMSA-N -1 0 346.386 3.613 20 0 EHADRM Cc1cccc(OCCCCC(=O)N(CC(=O)[O-])CC(C)(C)C)c1 ZINC001605345221 973237970 /nfs/dbraw/zinc/23/79/70/973237970.db2.gz HINZQWWJFLDEFT-UHFFFAOYSA-N -1 0 335.444 3.503 20 0 EHADRM Cc1cccc2sc(C(=O)Nc3cc(C(=O)[O-])n[nH]3)c(Cl)c21 ZINC001605350019 973249680 /nfs/dbraw/zinc/24/96/80/973249680.db2.gz ONERIDLUQOFNMR-UHFFFAOYSA-N -1 0 335.772 3.537 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)c1cc(SC)ccc1Cl)C(=O)[O-] ZINC000400419621 973275558 /nfs/dbraw/zinc/27/55/58/973275558.db2.gz BRVSRMZEEHVZPP-NOZJJQNGSA-N -1 0 329.849 3.681 20 0 EHADRM Cc1cccnc1C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001605360501 973294077 /nfs/dbraw/zinc/29/40/77/973294077.db2.gz QENANSWBUJTOAX-VIFPVBQESA-N -1 0 330.409 3.527 20 0 EHADRM C[C@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccccc1C(=O)[O-] ZINC001603481896 973391987 /nfs/dbraw/zinc/39/19/87/973391987.db2.gz GSMRRBHKFBKZNG-NSHDSACASA-N -1 0 328.343 3.675 20 0 EHADRM O=C([O-])CN(C(=O)CCC1CCCCCC1)c1ccc2c(c1)OCO2 ZINC001606215813 973464867 /nfs/dbraw/zinc/46/48/67/973464867.db2.gz BDELOCZTMHUJJV-UHFFFAOYSA-N -1 0 347.411 3.584 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])C(F)(F)F ZINC001603511312 973506574 /nfs/dbraw/zinc/50/65/74/973506574.db2.gz UQRXBEFFBKEFLD-AXFHLTTASA-N -1 0 340.386 3.542 20 0 EHADRM Cc1nscc1C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001605455424 973544220 /nfs/dbraw/zinc/54/42/20/973544220.db2.gz RUJQTGYAWNOUBH-SSDOTTSWSA-N -1 0 336.438 3.588 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1cc(C)c(Br)cc1F ZINC001603526025 973566446 /nfs/dbraw/zinc/56/64/46/973566446.db2.gz QLLWNUAEDAZFIZ-UHFFFAOYSA-N -1 0 346.196 3.726 20 0 EHADRM CCC(CC)(CNC(=O)C1(CC(=O)[O-])CCC1)c1ccc(F)cc1 ZINC001603531792 973576569 /nfs/dbraw/zinc/57/65/69/973576569.db2.gz GWQKDFBAWXPSLA-UHFFFAOYSA-N -1 0 335.419 3.645 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)N[C@@H]1CCCc2sccc21 ZINC000403003439 973657744 /nfs/dbraw/zinc/65/77/44/973657744.db2.gz VATDJDWVWNSVTB-CQSZACIVSA-N -1 0 338.473 3.850 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)Nc1cc(F)c(F)c(F)c1 ZINC000403106984 973661645 /nfs/dbraw/zinc/66/16/45/973661645.db2.gz ZWNTWNRMDFGZRE-UHFFFAOYSA-N -1 0 332.322 3.651 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)ccc1Br ZINC000403203093 973665862 /nfs/dbraw/zinc/66/58/62/973665862.db2.gz GGFUUEOUYVDBAG-AEJSXWLSSA-N -1 0 338.201 3.522 20 0 EHADRM CC[C@H](CNC(=O)NCCc1c(C)cc(C(C)(C)C)cc1C)C(=O)[O-] ZINC001603561021 973675560 /nfs/dbraw/zinc/67/55/60/973675560.db2.gz JNJMENNMQMBWBO-OAHLLOKOSA-N -1 0 348.487 3.553 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)Nc2ccc3c(c2)CCCC3)C1 ZINC000404707136 973742991 /nfs/dbraw/zinc/74/29/91/973742991.db2.gz YHFRUBNSOZDZJD-INIZCTEOSA-N -1 0 344.455 3.920 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)Nc1ccc2c(c1)CCCCC2 ZINC000404693820 973743288 /nfs/dbraw/zinc/74/32/88/973743288.db2.gz KMNGDELASKJJBX-MRXNPFEDSA-N -1 0 332.444 3.966 20 0 EHADRM CC[C@@H](NC(=O)NCCC(C)(C)C(=O)[O-])C(C)(C)c1ccccc1 ZINC001603582497 973744528 /nfs/dbraw/zinc/74/45/28/973744528.db2.gz MHCXSNXSOIWJOC-OAHLLOKOSA-N -1 0 334.460 3.543 20 0 EHADRM Cc1cc(NC(=O)N2CCc3ccccc3[C@@H](C)C2)ccc1C(=O)[O-] ZINC000404765847 973747762 /nfs/dbraw/zinc/74/77/62/973747762.db2.gz GGSHSMDBWVDUBL-AWEZNQCLSA-N -1 0 338.407 3.887 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001603593391 973802664 /nfs/dbraw/zinc/80/26/64/973802664.db2.gz CXDOIUGXMAVEAU-CABCVRRESA-N -1 0 335.444 3.548 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)CCc1ccc(Cl)cc1Cl)CC1CC1 ZINC000405287799 973815472 /nfs/dbraw/zinc/81/54/72/973815472.db2.gz WMPLIKIWFZNPRF-GFCCVEGCSA-N -1 0 344.238 3.543 20 0 EHADRM CC[C@@H]1CCCc2sc(NC(=O)N[C@H](CC(C)C)C(=O)[O-])nc21 ZINC001603619540 973914735 /nfs/dbraw/zinc/91/47/35/973914735.db2.gz BDAMMFDSZHFOOH-GHMZBOCLSA-N -1 0 339.461 3.594 20 0 EHADRM COc1cc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)cc2cccnc21 ZINC001604731304 973931803 /nfs/dbraw/zinc/93/18/03/973931803.db2.gz GNLIORCDNIIHKK-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM Cc1ccc([C@H]2C[C@H](C)N(C(=O)NCCCCCC(=O)[O-])C2)cc1 ZINC000414630864 973943465 /nfs/dbraw/zinc/94/34/65/973943465.db2.gz UWVDCKCHIRBUPT-RDJZCZTQSA-N -1 0 332.444 3.527 20 0 EHADRM CCN(Cc1ccccc1Cl)C(=O)NCCCCCC(=O)[O-] ZINC000414631311 973944034 /nfs/dbraw/zinc/94/40/34/973944034.db2.gz VVKDTNKSHQLGER-UHFFFAOYSA-N -1 0 326.824 3.517 20 0 EHADRM CSCc1cnc(CN[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)s1 ZINC000417562392 973962635 /nfs/dbraw/zinc/96/26/35/973962635.db2.gz MITJGHHQRQZLKK-OAHLLOKOSA-N -1 0 336.482 3.538 20 0 EHADRM CC(C)Cc1ncc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)s1 ZINC000417706453 973967632 /nfs/dbraw/zinc/96/76/32/973967632.db2.gz OWOGTCHMHUFRAR-UHFFFAOYSA-N -1 0 345.468 3.602 20 0 EHADRM CCC[C@H]1CCC[C@@H]1C(=O)Nc1sc2c(c1C(=O)[O-])COCC2 ZINC001603635314 973968706 /nfs/dbraw/zinc/96/87/06/973968706.db2.gz AUSGVNMKOPJEIV-QWRGUYRKSA-N -1 0 337.441 3.674 20 0 EHADRM COc1ccc([C@H](C)CCNC(=O)c2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001604764530 973984290 /nfs/dbraw/zinc/98/42/90/973984290.db2.gz CNBXFRSGYOUQDS-CQSZACIVSA-N -1 0 341.407 3.625 20 0 EHADRM CCCCC1CCC(CNC(=O)C2(C(=O)[O-])CCSCC2)CC1 ZINC001603640813 973985800 /nfs/dbraw/zinc/98/58/00/973985800.db2.gz GYCGHTLOOMCGKV-UHFFFAOYSA-N -1 0 341.517 3.697 20 0 EHADRM COc1ccc(C2CC2)cc1CNC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001604775355 974006798 /nfs/dbraw/zinc/00/67/98/974006798.db2.gz YMJXRPWIZYLOID-UHFFFAOYSA-N -1 0 339.391 3.509 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)C=C2CCSCC2)CC1 ZINC001606517075 974010784 /nfs/dbraw/zinc/01/07/84/974010784.db2.gz BGWNJSMFSXOXGQ-UHFFFAOYSA-N -1 0 345.464 3.544 20 0 EHADRM CCCCOc1ccc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cn1 ZINC001603652462 974014383 /nfs/dbraw/zinc/01/43/83/974014383.db2.gz GOUGYONSFBZCLR-OAHLLOKOSA-N -1 0 349.431 3.512 20 0 EHADRM Cc1coc(-c2cccc(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])c2)n1 ZINC000424377374 974022628 /nfs/dbraw/zinc/02/26/28/974022628.db2.gz DIRGWTMWKIABEW-CQSZACIVSA-N -1 0 345.399 3.518 20 0 EHADRM Cc1cc(C[NH2+]Cc2cccc(C(=O)[O-])c2)ccc1Br ZINC000426671444 974043666 /nfs/dbraw/zinc/04/36/66/974043666.db2.gz MBJQFELMLOIONB-UHFFFAOYSA-N -1 0 334.213 3.746 20 0 EHADRM O=C([O-])c1cccc(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)c1 ZINC000426695933 974044122 /nfs/dbraw/zinc/04/41/22/974044122.db2.gz LXURHDSGVVQHKY-UHFFFAOYSA-N -1 0 341.741 3.929 20 0 EHADRM Cc1cc(C)c(CC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c(C)c1 ZINC000431654640 974071008 /nfs/dbraw/zinc/07/10/08/974071008.db2.gz ROPQGJNZHAWAFF-UZLBHIALSA-N -1 0 339.435 3.733 20 0 EHADRM O=C([O-])C1(CNC(=O)C[C@H]2CCCc3ccccc32)CCCCC1 ZINC000431876329 974077244 /nfs/dbraw/zinc/07/72/44/974077244.db2.gz VFGIMKXINZITAW-MRXNPFEDSA-N -1 0 329.440 3.648 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1)C(=O)[O-] ZINC000431991191 974082022 /nfs/dbraw/zinc/08/20/22/974082022.db2.gz JPSLSTYARBRSJW-NSHDSACASA-N -1 0 340.354 3.823 20 0 EHADRM C[C@@]1(NC(=O)c2cccc(OC3CCCC3)c2)CCCC[C@H]1C(=O)[O-] ZINC000432120239 974089149 /nfs/dbraw/zinc/08/91/49/974089149.db2.gz OCAATUOBZPCQLE-FXAWDEMLSA-N -1 0 345.439 3.771 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)cc1Cl ZINC000432122734 974090257 /nfs/dbraw/zinc/09/02/57/974090257.db2.gz OZHPAUXWJNBEQG-INIZCTEOSA-N -1 0 345.826 3.854 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)Nc1ccc(-c2cnco2)cc1 ZINC000432129168 974091149 /nfs/dbraw/zinc/09/11/49/974091149.db2.gz JNXNIGIDLZSXPF-UHFFFAOYSA-N -1 0 336.347 3.611 20 0 EHADRM C[C@]1(NC(=O)c2ccc(Cl)c(Cl)c2)CCCC[C@@H]1C(=O)[O-] ZINC000432138013 974092470 /nfs/dbraw/zinc/09/24/70/974092470.db2.gz HSHYHEJZMYZTPT-BMIGLBTASA-N -1 0 330.211 3.757 20 0 EHADRM CC(C)c1ccc(C[C@@H](C)NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000439808777 974110303 /nfs/dbraw/zinc/11/03/03/974110303.db2.gz WMZJJMSMOLJBSN-OLMNPRSZSA-N -1 0 331.456 3.748 20 0 EHADRM COc1cccc(F)c1C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001604866735 974116217 /nfs/dbraw/zinc/11/62/17/974116217.db2.gz RJJLPMKYVKIIAZ-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(C3CCC3)cc2)cs1 ZINC000447265371 974124954 /nfs/dbraw/zinc/12/49/54/974124954.db2.gz GMPWQBWHIBFQSQ-UHFFFAOYSA-N -1 0 337.422 3.515 20 0 EHADRM Cc1ccccc1C[C@H](C)N(C)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000450544782 974148063 /nfs/dbraw/zinc/14/80/63/974148063.db2.gz RKZIFUUQPIUISF-ZDUSSCGKSA-N -1 0 329.371 3.536 20 0 EHADRM CCN(CC)c1ccc(-c2nnc(SCCCC(=O)[O-])o2)cc1 ZINC001603739209 974183567 /nfs/dbraw/zinc/18/35/67/974183567.db2.gz FZLOWIVWBVSQNQ-UHFFFAOYSA-N -1 0 335.429 3.540 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(F)cc2OC(F)F)c(F)c1 ZINC000478847836 974211303 /nfs/dbraw/zinc/21/13/03/974211303.db2.gz KENRDDIZQDTKMA-UHFFFAOYSA-N -1 0 343.232 3.517 20 0 EHADRM Cc1cccc(OC(F)F)c1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000478846396 974211353 /nfs/dbraw/zinc/21/13/53/974211353.db2.gz ZADYCEFGOSIRPG-UHFFFAOYSA-N -1 0 339.269 3.686 20 0 EHADRM Cc1cccc(C(C)(C)CNC(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000478861834 974214485 /nfs/dbraw/zinc/21/44/85/974214485.db2.gz YDSBTIXMJQYBDK-UHFFFAOYSA-N -1 0 329.371 3.540 20 0 EHADRM C[C@H](CC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-])C1CCCCC1 ZINC000486014566 974242947 /nfs/dbraw/zinc/24/29/47/974242947.db2.gz GPTCTWMJFBCJNR-KUHUBIRLSA-N -1 0 329.440 3.804 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1csc(Cc2ccccc2)n1)C1CCC1 ZINC000517965436 974321462 /nfs/dbraw/zinc/32/14/62/974321462.db2.gz MMFCWZAUEYPUSF-ZDUSSCGKSA-N -1 0 330.453 3.562 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)CC1CCC(C(F)(F)F)CC1)C(=O)[O-] ZINC000518774736 974325113 /nfs/dbraw/zinc/32/51/13/974325113.db2.gz CYIRNAVWYKGCFO-WTIISPKJSA-N -1 0 337.382 3.751 20 0 EHADRM CC1(C(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)CCCCCC1 ZINC000518775218 974325742 /nfs/dbraw/zinc/32/57/42/974325742.db2.gz MQQRLOLEJMRFJJ-HXUWFJFHSA-N -1 0 329.440 3.602 20 0 EHADRM CCC(CC)C(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000519593861 974330831 /nfs/dbraw/zinc/33/08/31/974330831.db2.gz KZCJNUKXBIZVDQ-UHFFFAOYSA-N -1 0 331.334 3.555 20 0 EHADRM CCOc1ccccc1OCCCC(=O)Nc1sccc1C(=O)[O-] ZINC001603884786 974382651 /nfs/dbraw/zinc/38/26/51/974382651.db2.gz DFYGVSOCIYGWHE-UHFFFAOYSA-N -1 0 349.408 3.643 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2c[nH]cc2-c2ccccc2)CCCCC1 ZINC000538576920 974391928 /nfs/dbraw/zinc/39/19/28/974391928.db2.gz FYRVLEXKFGNLAL-UHFFFAOYSA-N -1 0 340.423 3.837 20 0 EHADRM O=C([O-])c1cccc(CC(=O)NCC2(c3ccccc3)CCCC2)c1 ZINC000539675376 974397454 /nfs/dbraw/zinc/39/74/54/974397454.db2.gz QFRSQFSGMKTTQE-UHFFFAOYSA-N -1 0 337.419 3.556 20 0 EHADRM CC[C@@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccc(C)c(F)c1 ZINC001603903750 974404708 /nfs/dbraw/zinc/40/47/08/974404708.db2.gz CHHKGVZMLHFBEX-LOWQCSRCSA-N -1 0 331.343 3.706 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2sccc2OC(F)F)CCCCC1 ZINC000540777637 974409444 /nfs/dbraw/zinc/40/94/44/974409444.db2.gz WZIJAGCRBLMFCH-UHFFFAOYSA-N -1 0 347.383 3.505 20 0 EHADRM Cc1ccc(NC(=O)c2cc3ccc(F)cc3nc2C)c(C(=O)[O-])c1 ZINC000542519208 974415201 /nfs/dbraw/zinc/41/52/01/974415201.db2.gz YMNADTBCNKESDZ-UHFFFAOYSA-N -1 0 338.338 3.941 20 0 EHADRM CCc1c2ccccc2oc1C(=O)N1CCC[C@](CC)(C(=O)[O-])C1 ZINC001603960134 974437134 /nfs/dbraw/zinc/43/71/34/974437134.db2.gz AKJYUDADSLHYGX-IBGZPJMESA-N -1 0 329.396 3.712 20 0 EHADRM CCc1ccc(C(C)(C)CNC(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC001603968571 974451918 /nfs/dbraw/zinc/45/19/18/974451918.db2.gz JINPVZIOJJOAIY-UHFFFAOYSA-N -1 0 325.408 3.655 20 0 EHADRM Cc1sc([C@@H]2CCCN2c2nccc3occc32)nc1C(=O)[O-] ZINC000565039546 974564520 /nfs/dbraw/zinc/56/45/20/974564520.db2.gz CCSSIUNXIONRNF-NSHDSACASA-N -1 0 329.381 3.632 20 0 EHADRM CC(C)c1nc(N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc(C(C)(C)C)n1 ZINC000565042542 974565587 /nfs/dbraw/zinc/56/55/87/974565587.db2.gz XKUGOVCPOBMWPP-CYBMUJFWSA-N -1 0 331.460 3.589 20 0 EHADRM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000565366517 974581146 /nfs/dbraw/zinc/58/11/46/974581146.db2.gz SUXNTJSOACDZTJ-ZBEGNZNMSA-N -1 0 335.787 3.766 20 0 EHADRM O=C([O-])c1sccc1CN1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000565720675 974587978 /nfs/dbraw/zinc/58/79/78/974587978.db2.gz ITTITXASFDTYPF-CQSZACIVSA-N -1 0 337.828 3.673 20 0 EHADRM Cc1sc(N2CC[C@H](CSc3ccccc3)C2)nc1C(=O)[O-] ZINC000566292237 974603192 /nfs/dbraw/zinc/60/31/92/974603192.db2.gz ZTNZIMZWJMPWQU-LBPRGKRZSA-N -1 0 334.466 3.768 20 0 EHADRM CCn1c(CN[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)nc2ccccc21 ZINC000567171346 974628286 /nfs/dbraw/zinc/62/82/86/974628286.db2.gz IYUVHMDJEAPHTJ-LJQANCHMSA-N -1 0 337.423 3.589 20 0 EHADRM CC[C@@H](C(=O)Nc1ccc(OC)cc1C(=O)[O-])c1ccc(OC)cc1 ZINC000567196371 974629458 /nfs/dbraw/zinc/62/94/58/974629458.db2.gz GLYVCKWVTYLIHC-OAHLLOKOSA-N -1 0 343.379 3.534 20 0 EHADRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(C2CC2)c1 ZINC000567406157 974633797 /nfs/dbraw/zinc/63/37/97/974633797.db2.gz FNFKWSWRVFGYQQ-IBGZPJMESA-N -1 0 337.419 3.770 20 0 EHADRM CCO[C@@H](C)c1nc(CN(C)Cc2csc(C(=O)[O-])c2)cs1 ZINC000568067191 974659207 /nfs/dbraw/zinc/65/92/07/974659207.db2.gz OOLARZOXIMBFFF-JTQLQIEISA-N -1 0 340.470 3.632 20 0 EHADRM COc1cncc(/C=C\CCN2CC[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000568534679 974673011 /nfs/dbraw/zinc/67/30/11/974673011.db2.gz TZVVLWLEJALIED-SUZKBHRPSA-N -1 0 338.407 3.572 20 0 EHADRM CC(C)[C@@H](C(=O)NC[C@H](CC1CC1)C(=O)[O-])c1cccc(Cl)c1 ZINC000571051927 974722855 /nfs/dbraw/zinc/72/28/55/974722855.db2.gz DPEVDEVOCFKBHO-GOEBONIOSA-N -1 0 337.847 3.697 20 0 EHADRM Cc1ccc(-c2noc(CN3CC[C@@H](C(=O)[O-])c4ccccc43)n2)cc1 ZINC000571627895 974732665 /nfs/dbraw/zinc/73/26/65/974732665.db2.gz FRHJUESBFOIZIZ-MRXNPFEDSA-N -1 0 349.390 3.624 20 0 EHADRM O=C([O-])c1cccc(Cl)c1CN1CCO[C@@H](c2cccc(F)c2)C1 ZINC000572295855 974745555 /nfs/dbraw/zinc/74/55/55/974745555.db2.gz CEMYMHCVJSQVDG-QGZVFWFLSA-N -1 0 349.789 3.751 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)C(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC000572438075 974748300 /nfs/dbraw/zinc/74/83/00/974748300.db2.gz WKFHPLDYVHUYQQ-NSHDSACASA-N -1 0 333.409 3.976 20 0 EHADRM C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1Cc1cc(C(=O)[O-])co1 ZINC000573572506 974768059 /nfs/dbraw/zinc/76/80/59/974768059.db2.gz ZLLNFZVMWNKRKW-BDJLRTHQSA-N -1 0 335.787 3.593 20 0 EHADRM Cc1cc(C)c(-c2csc(NC(=O)C3(C(=O)[O-])CC3)n2)cc1C ZINC000574881911 974790016 /nfs/dbraw/zinc/79/00/16/974790016.db2.gz YWXWUNYKZRAABZ-UHFFFAOYSA-N -1 0 330.409 3.539 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000575430196 974799080 /nfs/dbraw/zinc/79/90/80/974799080.db2.gz SOKYALIVMNAKSI-HNNXBMFYSA-N -1 0 341.407 3.843 20 0 EHADRM O=C([O-])[C@@]1(c2ccccc2)CCN(C(=O)CCCC2CCCC2)C1 ZINC000575871787 974802844 /nfs/dbraw/zinc/80/28/44/974802844.db2.gz QCKTVKUYMLXMDD-FQEVSTJZSA-N -1 0 329.440 3.602 20 0 EHADRM CCc1ccc([C@H]2CN([C@@H](C)c3cc(C)c(C(=O)[O-])o3)CCO2)cc1 ZINC000577285026 974833345 /nfs/dbraw/zinc/83/33/45/974833345.db2.gz HLFSABBQEJMVQO-KBXCAEBGSA-N -1 0 343.423 3.983 20 0 EHADRM CC(C)COc1ccc(C(C)(C)CNC(=O)C[C@@H](C)CC(=O)[O-])cc1 ZINC000578786363 974862105 /nfs/dbraw/zinc/86/21/05/974862105.db2.gz IGIFHWAPUZLFKU-OAHLLOKOSA-N -1 0 349.471 3.616 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000578871996 974863116 /nfs/dbraw/zinc/86/31/16/974863116.db2.gz LFJZADAIPBYXDG-HXUWFJFHSA-N -1 0 341.407 3.580 20 0 EHADRM Cc1cnc(CCN(C)[C@H](C(=O)[O-])c2c(F)cccc2Cl)s1 ZINC000579967624 974886575 /nfs/dbraw/zinc/88/65/75/974886575.db2.gz RYDVAPFSUHCVPB-AWEZNQCLSA-N -1 0 342.823 3.544 20 0 EHADRM O=C([O-])[C@@]1(c2ccccc2)CCN(C(=O)CCC2CCCCC2)C1 ZINC000581191940 974906469 /nfs/dbraw/zinc/90/64/69/974906469.db2.gz HIABNSUFDKIVBI-FQEVSTJZSA-N -1 0 329.440 3.602 20 0 EHADRM COc1ccc(N(Cc2cccs2)C(=O)C[C@@H](C)CC(=O)[O-])cc1 ZINC000581736976 974915156 /nfs/dbraw/zinc/91/51/56/974915156.db2.gz QNAWSLLFCPXSTB-CYBMUJFWSA-N -1 0 347.436 3.791 20 0 EHADRM CC[C@@H]1CN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CCS1 ZINC000583147973 974937204 /nfs/dbraw/zinc/93/72/04/974937204.db2.gz VFGQYCOPWUKKFT-CHWSQXEVSA-N -1 0 334.268 3.947 20 0 EHADRM C[C@@H]1CCCC[C@H]1CC(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000583418388 974940491 /nfs/dbraw/zinc/94/04/91/974940491.db2.gz CMPSOAXMFAZEFN-BPQIPLTHSA-N -1 0 331.456 3.795 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2cccc(C(F)F)c2)nc1C1CC1 ZINC000584115914 974950429 /nfs/dbraw/zinc/95/04/29/974950429.db2.gz ZTGADWYFBVPJIY-UHFFFAOYSA-N -1 0 346.333 3.525 20 0 EHADRM COCC1(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CCCCC1 ZINC000621536073 975028033 /nfs/dbraw/zinc/02/80/33/975028033.db2.gz ZLDCFEKTZKOZQW-UHFFFAOYSA-N -1 0 333.428 3.584 20 0 EHADRM CCC1(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)CCC(F)(F)CC1 ZINC000621558678 975031790 /nfs/dbraw/zinc/03/17/90/975031790.db2.gz OBWLEORKKNFVLX-UHFFFAOYSA-N -1 0 337.366 3.833 20 0 EHADRM Cc1ccc2cc(Cl)cc(C(=O)N(CC(=O)[O-])C3CCCC3)c2n1 ZINC000621576438 975037758 /nfs/dbraw/zinc/03/77/58/975037758.db2.gz MRFGGBKJFKUCDI-UHFFFAOYSA-N -1 0 346.814 3.666 20 0 EHADRM C[C@H](C(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1)c1ccccc1F ZINC000621587726 975045133 /nfs/dbraw/zinc/04/51/33/975045133.db2.gz IOOKGUYVCPJZFX-KKXDTOCCSA-N -1 0 341.382 3.746 20 0 EHADRM O=C([O-])[C@@H]1CC[N@H+](Cc2ncc(-c3cccc(F)c3)o2)[C@@H]2CCC[C@H]21 ZINC000629373312 975087412 /nfs/dbraw/zinc/08/74/12/975087412.db2.gz HVXMSADLIUSYGM-ARFHVFGLSA-N -1 0 344.386 3.556 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC000630115571 975107705 /nfs/dbraw/zinc/10/77/05/975107705.db2.gz DZLYVBWXJQBJJR-NSHDSACASA-N -1 0 333.409 3.889 20 0 EHADRM Cc1cc(C(=O)N2CC[C@@H](CSc3ccccc3)C2)oc1C(=O)[O-] ZINC000630124451 975111480 /nfs/dbraw/zinc/11/14/80/975111480.db2.gz VZQXSCDISWETKQ-CYBMUJFWSA-N -1 0 345.420 3.541 20 0 EHADRM Cc1ccc(CO[C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000630133660 975118557 /nfs/dbraw/zinc/11/85/57/975118557.db2.gz ZZMJWAQERADHLA-CQSZACIVSA-N -1 0 327.380 3.545 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)CC(C2CCC2)C2CCC2)c1 ZINC000630136232 975120681 /nfs/dbraw/zinc/12/06/81/975120681.db2.gz ZZEYUMZWOSHCQI-UHFFFAOYSA-N -1 0 331.412 3.695 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)cc1 ZINC000630143964 975127719 /nfs/dbraw/zinc/12/77/19/975127719.db2.gz VBSUAXUYEBYQTM-ROUUACIJSA-N -1 0 341.382 3.975 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)C1 ZINC000630155408 975132912 /nfs/dbraw/zinc/13/29/12/975132912.db2.gz AEDMPPWGXBFEIA-HYVNUMGLSA-N -1 0 347.430 3.669 20 0 EHADRM O=C([O-])CC1(CNC(=O)CC2CCC(F)(F)CC2)CCCCC1 ZINC000630158856 975134917 /nfs/dbraw/zinc/13/49/17/975134917.db2.gz PGDKJUSUXJKSKG-UHFFFAOYSA-N -1 0 331.403 3.743 20 0 EHADRM O=C([O-])CC[C@@H](CC1CCCCC1)NC(=O)c1ocnc1C(F)F ZINC000630198159 975156495 /nfs/dbraw/zinc/15/64/95/975156495.db2.gz VXVLJUVVEAMNSW-NSHDSACASA-N -1 0 344.358 3.546 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@@H](c3ccc(F)cc3)CC2)oc1C(=O)[O-] ZINC000630213923 975162693 /nfs/dbraw/zinc/16/26/93/975162693.db2.gz CNEVQGCROBYYJZ-CYBMUJFWSA-N -1 0 345.370 3.835 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)[C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC000630216282 975163458 /nfs/dbraw/zinc/16/34/58/975163458.db2.gz KRNLIJCEVOSCMC-IAGOWNOFSA-N -1 0 349.430 3.853 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC000630231841 975179204 /nfs/dbraw/zinc/17/92/04/975179204.db2.gz FPBLUWPTCPNXDK-KRWDZBQOSA-N -1 0 343.448 3.501 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)C1(C)C ZINC000630237592 975182979 /nfs/dbraw/zinc/18/29/79/975182979.db2.gz CLTJUNIWLUNRKN-NVXWUHKLSA-N -1 0 345.414 3.647 20 0 EHADRM CC[C@H](C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1)c1ccc(OC)cc1 ZINC000630268111 975211641 /nfs/dbraw/zinc/21/16/41/975211641.db2.gz WCBFRMMGCSSAGP-ZWKOTPCHSA-N -1 0 347.455 3.586 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@H]1CCCc2ccc(Cl)cc21 ZINC000630273965 975218494 /nfs/dbraw/zinc/21/84/94/975218494.db2.gz OHNUVVCAZPCYFL-AWEZNQCLSA-N -1 0 333.771 3.747 20 0 EHADRM Cc1cc2cc(C(=O)N3CC[C@H](C(=O)[O-])[C@@H]4CCC[C@@H]43)oc2cc1C ZINC000630281498 975226146 /nfs/dbraw/zinc/22/61/46/975226146.db2.gz CGQGZEJHIDJUGJ-JYJNAYRXSA-N -1 0 341.407 3.765 20 0 EHADRM Cc1cccc(CN(Cc2ccco2)C(=O)CCCCC(=O)[O-])c1 ZINC000630289407 975232160 /nfs/dbraw/zinc/23/21/60/975232160.db2.gz RHVCWYBCLAJWKE-UHFFFAOYSA-N -1 0 329.396 3.762 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000630291112 975233531 /nfs/dbraw/zinc/23/35/31/975233531.db2.gz LIQWKQQGAGSIJH-INIZCTEOSA-N -1 0 343.810 3.597 20 0 EHADRM CC[C@H](CSc1ccccc1)NC(=O)c1ccc(C(=O)[O-])s1 ZINC000630297433 975236793 /nfs/dbraw/zinc/23/67/93/975236793.db2.gz OUQJSVCLIRXGBI-LLVKDONJSA-N -1 0 335.450 3.747 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N(C)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000630299987 975239107 /nfs/dbraw/zinc/23/91/07/975239107.db2.gz OEUZSBHQLNFBOU-NEPJUHHUSA-N -1 0 345.361 3.596 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NCC2(C(F)(F)F)CCCC2)c1 ZINC000630303693 975240970 /nfs/dbraw/zinc/24/09/70/975240970.db2.gz YARWLAPNXBDHCI-UHFFFAOYSA-N -1 0 329.318 3.546 20 0 EHADRM O=C([O-])C12CCC(CC1)N2C(=O)CCc1c(Cl)cccc1Cl ZINC000630321831 975251512 /nfs/dbraw/zinc/25/15/12/975251512.db2.gz JKXCLOYSPBLKFV-UHFFFAOYSA-N -1 0 342.222 3.534 20 0 EHADRM C[C@@H](NCc1ccccc1CC(F)(F)F)c1ncc(C(=O)[O-])s1 ZINC000630461366 975265806 /nfs/dbraw/zinc/26/58/06/975265806.db2.gz AGSMMSWSVTWCTK-SECBINFHSA-N -1 0 344.358 3.797 20 0 EHADRM CCCC(=O)Nc1ccc(Cl)c(NC(=O)C[C@@H](C)CC(=O)[O-])c1 ZINC000634816592 975277481 /nfs/dbraw/zinc/27/74/81/975277481.db2.gz VAGPTJOICULOIY-SNVBAGLBSA-N -1 0 340.807 3.518 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000634831956 975278281 /nfs/dbraw/zinc/27/82/81/975278281.db2.gz OBNHNJYNGHVTRY-SNVBAGLBSA-N -1 0 331.334 3.966 20 0 EHADRM Cc1cc(Cl)c(NC(=O)C[C@@H](C)CC(=O)[O-])cc1Br ZINC000634842163 975278528 /nfs/dbraw/zinc/27/85/28/975278528.db2.gz IGCOQVYWSDHMAI-SSDOTTSWSA-N -1 0 348.624 3.850 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2cccc(-c3ncco3)c2)CCCC1 ZINC000634904167 975280697 /nfs/dbraw/zinc/28/06/97/975280697.db2.gz ITRANTVCLGIPFF-UHFFFAOYSA-N -1 0 328.368 3.705 20 0 EHADRM Cc1cccc2c(C(=O)N3CCC[C@@H](C(C)(C)C(=O)[O-])C3)coc21 ZINC000644874579 975327638 /nfs/dbraw/zinc/32/76/38/975327638.db2.gz MOASFTBYCAIJIR-CYBMUJFWSA-N -1 0 329.396 3.704 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)Nc2cccc(-c3cccs3)c2)C1 ZINC000647695155 975373489 /nfs/dbraw/zinc/37/34/89/975373489.db2.gz UUZKULOFJGBBBJ-OCCSQVGLSA-N -1 0 330.409 3.790 20 0 EHADRM C[C@H](CC(=O)N1CCc2cccc(C(=O)[O-])c2C1)c1cccc(F)c1 ZINC000649258215 975398680 /nfs/dbraw/zinc/39/86/80/975398680.db2.gz LLBDDIOSHITJCE-CYBMUJFWSA-N -1 0 341.382 3.602 20 0 EHADRM O=C([O-])c1cccc2c1CN(C(=O)CCc1cc(Cl)cs1)CC2 ZINC000649258081 975399248 /nfs/dbraw/zinc/39/92/48/975399248.db2.gz HGLJQHYPIQZCRN-UHFFFAOYSA-N -1 0 349.839 3.617 20 0 EHADRM CCCn1c(C(=O)N2CCCC[C@@H]2CC(=O)[O-])cc2ccccc21 ZINC000649364962 975408447 /nfs/dbraw/zinc/40/84/47/975408447.db2.gz ZGLFGWIQWFGUDP-OAHLLOKOSA-N -1 0 328.412 3.521 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000649368316 975408620 /nfs/dbraw/zinc/40/86/20/975408620.db2.gz UMONVRXQSFZUFW-UHFFFAOYSA-N -1 0 337.847 3.937 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@@H](C)c2ccccc2Cl)c(C)c1 ZINC000107971119 1014260869 /nfs/dbraw/zinc/26/08/69/1014260869.db2.gz KRDJEYIHEFKLPM-LFVRLGFBSA-N -1 0 349.883 3.942 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)C[C@H](c1ccccc1)C(F)(F)F)C(=O)[O-] ZINC000652076867 975474204 /nfs/dbraw/zinc/47/42/04/975474204.db2.gz BUOVJEKRVBYPOP-OLZOCXBDSA-N -1 0 345.361 3.728 20 0 EHADRM CC(C)O[C@@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 ZINC001591686408 975494171 /nfs/dbraw/zinc/49/41/71/975494171.db2.gz LHJITNQLNWIESF-MRXNPFEDSA-N -1 0 349.333 3.768 20 0 EHADRM CC(C)O[C@@H](COc1cnc(Cl)cc1C(=O)[O-])c1ccccc1 ZINC001591686816 975499004 /nfs/dbraw/zinc/49/90/04/975499004.db2.gz TUBZQMXYVCEDAV-HNNXBMFYSA-N -1 0 335.787 3.978 20 0 EHADRM COc1ccc(C[C@H]2CCCCN2C(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000652120690 975507920 /nfs/dbraw/zinc/50/79/20/975507920.db2.gz FRIRRMIJDJRZFD-MRXNPFEDSA-N -1 0 347.455 3.510 20 0 EHADRM O=C([O-])[C@H](c1ccsc1)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000652429618 975528258 /nfs/dbraw/zinc/52/82/58/975528258.db2.gz FOYXJXMQBAUXNZ-GJZGRUSLSA-N -1 0 337.828 3.601 20 0 EHADRM Cc1cc(C)cc(CCC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000653328729 975589960 /nfs/dbraw/zinc/58/99/60/975589960.db2.gz MESRZNCHXJGRBV-MOPGFXCFSA-N -1 0 337.419 3.665 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC000653637931 975602806 /nfs/dbraw/zinc/60/28/06/975602806.db2.gz LHRBSJZZKHXMQV-GOSISDBHSA-N -1 0 325.408 3.831 20 0 EHADRM C[C@@H]1CN(C(=O)c2cccc(CC(=O)[O-])c2)CC[C@H]1c1ccccc1 ZINC000653641740 975609129 /nfs/dbraw/zinc/60/91/29/975609129.db2.gz VXROAJHMGOJUSH-DNVCBOLYSA-N -1 0 337.419 3.580 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2cccc(C3CC3)c2)C[C@H]1c1ccccc1 ZINC000655547512 975626375 /nfs/dbraw/zinc/62/63/75/975626375.db2.gz OKEDVOVLHXVLFI-RBUKOAKNSA-N -1 0 335.403 3.504 20 0 EHADRM O=C([O-])c1ccc2c(c1)[C@@H](CNc1nnc(C(F)F)s1)CCC2 ZINC000656781912 975704983 /nfs/dbraw/zinc/70/49/83/975704983.db2.gz CRRSURJCSIVMJH-SNVBAGLBSA-N -1 0 339.367 3.706 20 0 EHADRM CC(C)Oc1c(NC(=O)[C@@H]2CC23CCSCC3)cccc1C(=O)[O-] ZINC001591741543 975756031 /nfs/dbraw/zinc/75/60/31/975756031.db2.gz LDKIJSCQUDXLTN-ZDUSSCGKSA-N -1 0 349.452 3.644 20 0 EHADRM CC(C)Oc1c(NC(=O)/C=C\c2ccccc2)cccc1C(=O)[O-] ZINC001591741753 975758213 /nfs/dbraw/zinc/75/82/13/975758213.db2.gz PSHFERLYVJYWCF-QXMHVHEDSA-N -1 0 325.364 3.824 20 0 EHADRM CC(C)Oc1c(NC(=O)Cc2ccc(F)cc2F)cccc1C(=O)[O-] ZINC001591742073 975759561 /nfs/dbraw/zinc/75/95/61/975759561.db2.gz ULTWCLTZYZPJCT-UHFFFAOYSA-N -1 0 349.333 3.631 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc(C3CC3)cc2)C[C@@H]1c1ccccc1 ZINC000659160824 975760460 /nfs/dbraw/zinc/76/04/60/975760460.db2.gz MVYIBQATMZWKTL-RTBURBONSA-N -1 0 335.403 3.504 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000659165610 975764303 /nfs/dbraw/zinc/76/43/03/975764303.db2.gz GFRBSDJRSZRBJV-INIZCTEOSA-N -1 0 331.343 3.615 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCCc2ccc(F)cc2)[C@H]2CCCC[C@@H]12 ZINC000659189959 975785890 /nfs/dbraw/zinc/78/58/90/975785890.db2.gz ILMLJXHLFHZEEZ-KSZLIROESA-N -1 0 347.430 3.640 20 0 EHADRM CC(C)Oc1c(NC(=O)NC[C@H]2CC=CCC2)cccc1C(=O)[O-] ZINC001591747117 975789963 /nfs/dbraw/zinc/78/99/63/975789963.db2.gz IIZYFORWSHCWLY-ZDUSSCGKSA-N -1 0 332.400 3.650 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3c(s2)CCCC3)[C@@H]2CCCC[C@H]12 ZINC000659194605 975795490 /nfs/dbraw/zinc/79/54/90/975795490.db2.gz MFCCZYUACZNRHE-RBSFLKMASA-N -1 0 347.480 3.732 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N(C)[C@H](C)c1ccco1 ZINC001591763110 975862233 /nfs/dbraw/zinc/86/22/33/975862233.db2.gz FMVHUXHIMAGRLH-GFCCVEGCSA-N -1 0 346.383 3.990 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N[C@H]1CCCC[C@@H]1C ZINC001591767354 975880043 /nfs/dbraw/zinc/88/00/43/975880043.db2.gz MEOCVVFUBVEDPT-JSGCOSHPSA-N -1 0 334.416 3.872 20 0 EHADRM CC(C)Oc1ccc(COC(=O)c2cccc(C(=O)[O-])n2)cc1Cl ZINC001591775222 975917908 /nfs/dbraw/zinc/91/79/08/975917908.db2.gz MQRASCQZKZGYKY-UHFFFAOYSA-N -1 0 349.770 3.577 20 0 EHADRM O=C([O-])CCCCNC(=O)N[C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000666550602 975971858 /nfs/dbraw/zinc/97/18/58/975971858.db2.gz FAMZEKALEFPTJZ-ZFWWWQNUSA-N -1 0 338.835 3.530 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000669436743 976005490 /nfs/dbraw/zinc/00/54/90/976005490.db2.gz FJVIAAVYVFZRAF-SJLPKXTDSA-N -1 0 345.439 3.719 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc(-c2ccccc2)[nH]1)C1CCCCC1 ZINC000675994003 976025894 /nfs/dbraw/zinc/02/58/94/976025894.db2.gz VSEIWPOSYJKKJM-UHFFFAOYSA-N -1 0 326.396 3.541 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000679102438 976043185 /nfs/dbraw/zinc/04/31/85/976043185.db2.gz XYOXHKVGQMNAQH-ZBFHGGJFSA-N -1 0 349.446 3.744 20 0 EHADRM CCC[C@@H](C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC000679105653 976046772 /nfs/dbraw/zinc/04/67/72/976046772.db2.gz ROBPOAOBDCFKAK-IAGOWNOFSA-N -1 0 331.456 3.920 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000679396757 976049062 /nfs/dbraw/zinc/04/90/62/976049062.db2.gz MYVZVIGHHHTFTE-GFCCVEGCSA-N -1 0 335.400 3.818 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000679393166 976049729 /nfs/dbraw/zinc/04/97/29/976049729.db2.gz DUBJSQJBKJWJAQ-IBGZPJMESA-N -1 0 337.419 3.752 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)CCc1ccc2ccccc2c1 ZINC000679400778 976051229 /nfs/dbraw/zinc/05/12/29/976051229.db2.gz SFJJVMQONPHCGI-GOSISDBHSA-N -1 0 325.408 3.628 20 0 EHADRM CC(C)Sc1ccc([C@H](C)NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001591829175 976090113 /nfs/dbraw/zinc/09/01/13/976090113.db2.gz HBFHNXLAZFHRMV-AEGPPILISA-N -1 0 335.469 3.865 20 0 EHADRM CC(C)Oc1ccccc1[C@@H](C)NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000684772267 976092613 /nfs/dbraw/zinc/09/26/13/976092613.db2.gz ZQQKLHKNLZIMBC-RBSFLKMASA-N -1 0 333.428 3.542 20 0 EHADRM CC(C)c1cc(C(=O)N[C@@](C)(CCF)C(=O)[O-])c(O)c(C(C)C)c1 ZINC001591926116 976414325 /nfs/dbraw/zinc/41/43/25/976414325.db2.gz XQRFNCZHJQKPBQ-SFHVURJKSA-N -1 0 339.407 3.572 20 0 EHADRM CC(C)c1cc(NC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)ccc1O ZINC001591934695 976443911 /nfs/dbraw/zinc/44/39/11/976443911.db2.gz AFEQINSLDMUDCX-JXFKEZNVSA-N -1 0 339.391 3.713 20 0 EHADRM CC(C)c1ccc(C(=O)N(CCC(=O)[O-])Cc2ccccc2)c(O)c1 ZINC001591942322 976468355 /nfs/dbraw/zinc/46/83/55/976468355.db2.gz OXPUFDKVWXXGBY-UHFFFAOYSA-N -1 0 341.407 3.633 20 0 EHADRM CC(C)c1ccc(C2(C(=O)N[C@@H](CCF)C(=O)[O-])CCCC2)cc1 ZINC001591949515 976507271 /nfs/dbraw/zinc/50/72/71/976507271.db2.gz WAOWRCUEVWGTMW-INIZCTEOSA-N -1 0 335.419 3.551 20 0 EHADRM CC(C)c1ccc(CCC(=O)NCc2ccc(C(=O)[O-])cc2F)cc1 ZINC001591952392 976510138 /nfs/dbraw/zinc/51/01/38/976510138.db2.gz BWEYDZHTVYHIJT-UHFFFAOYSA-N -1 0 343.398 3.896 20 0 EHADRM CC(C)c1ccc(CCNC(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC001591953262 976516413 /nfs/dbraw/zinc/51/64/13/976516413.db2.gz VEBOBJDBRXXQOS-UHFFFAOYSA-N -1 0 332.425 3.934 20 0 EHADRM CC(C)c1ccc(CN(C)C(=O)Nc2ccc(C(=O)[O-])cn2)cc1 ZINC001591954511 976526607 /nfs/dbraw/zinc/52/66/07/976526607.db2.gz ZHZIKLXOKUSROD-UHFFFAOYSA-N -1 0 327.384 3.567 20 0 EHADRM CC(C)c1ccc(NC(=O)[C@@H]2Cc3ccc(F)cc32)c(C(=O)[O-])c1 ZINC001591962332 976547228 /nfs/dbraw/zinc/54/72/28/976547228.db2.gz IKHXETATODQBDC-OAHLLOKOSA-N -1 0 327.355 3.926 20 0 EHADRM CC(C)c1ccc(NC(=O)c2ccc(Cl)cc2N)c(C(=O)[O-])c1 ZINC001591968938 976568193 /nfs/dbraw/zinc/56/81/93/976568193.db2.gz UUEURDHHQJGFNR-UHFFFAOYSA-N -1 0 332.787 3.996 20 0 EHADRM CC(C)c1ccc2c(c1)CN(C(=O)/C=C\c1cc(C(=O)[O-])co1)CC2 ZINC001591974295 976585907 /nfs/dbraw/zinc/58/59/07/976585907.db2.gz RSUDWORZIBEIHQ-WAYWQWQTSA-N -1 0 339.391 3.699 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)Cc1ccccc1C(=O)[O-])CC2 ZINC001591974515 976589501 /nfs/dbraw/zinc/58/95/01/976589501.db2.gz WUDCZEBNUWBSPN-IBGZPJMESA-N -1 0 337.419 3.854 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)Cc1ccccc1C(=O)[O-])CC2 ZINC001591974518 976589844 /nfs/dbraw/zinc/58/98/44/976589844.db2.gz WUDCZEBNUWBSPN-LJQANCHMSA-N -1 0 337.419 3.854 20 0 EHADRM CC(C)c1ccc2occ(C(=O)Nc3cc(C(=O)[O-])c[nH]c3=O)c2c1 ZINC001591981085 976594888 /nfs/dbraw/zinc/59/48/88/976594888.db2.gz MLDDFPVWJBIQGB-UHFFFAOYSA-N -1 0 340.335 3.607 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=S)NCCCC(=O)[O-])CCC2 ZINC001591981117 976596187 /nfs/dbraw/zinc/59/61/87/976596187.db2.gz NTSKUIDHDIJHDA-MRXNPFEDSA-N -1 0 334.485 3.516 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1ccnc(C(=O)[O-])c1)CCC2 ZINC001591981098 976596537 /nfs/dbraw/zinc/59/65/37/976596537.db2.gz NFZOVNBZIPBNET-KRWDZBQOSA-N -1 0 338.407 3.711 20 0 EHADRM CC(C)c1ccc2occ(C(=O)N[C@H](C(=O)[O-])c3ccccn3)c2c1 ZINC001591981723 976598784 /nfs/dbraw/zinc/59/87/84/976598784.db2.gz ZSWYBRMVDXRWHW-KRWDZBQOSA-N -1 0 338.363 3.507 20 0 EHADRM CC(C)c1nc(Nc2cnn(C(C)(C)C(=O)[O-])c2)cc(C(C)(C)C)n1 ZINC001592030310 976735717 /nfs/dbraw/zinc/73/57/17/976735717.db2.gz KWTAGGPCLLGZJZ-UHFFFAOYSA-N -1 0 345.447 3.657 20 0 EHADRM CC(C)n1cc2c(n1)[C@@H](N[C@@H](C(=O)[O-])c1ccccc1Cl)CCC2 ZINC001592130735 976960344 /nfs/dbraw/zinc/96/03/44/976960344.db2.gz HTAVSXJJBOJICG-DOTOQJQBSA-N -1 0 347.846 3.910 20 0 EHADRM C[C@H](C1CC1)N(C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)C1CC1 ZINC001592178084 977079414 /nfs/dbraw/zinc/07/94/14/977079414.db2.gz CJSIQCWTWKTJHW-MRVPVSSYSA-N -1 0 340.782 3.972 20 0 EHADRM C[C@H](/C=C/C(=O)[O-])NC(=O)C1(c2c(Cl)cccc2Cl)CCC1 ZINC001592191653 977135595 /nfs/dbraw/zinc/13/55/95/977135595.db2.gz BUFDDBUCFDTGGQ-VQCYPWCPSA-N -1 0 342.222 3.561 20 0 EHADRM C[C@H](/C=C\C(=O)[O-])NC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC001592203156 977225660 /nfs/dbraw/zinc/22/56/60/977225660.db2.gz YDPQAVFOWFOPTR-XMXAVACDSA-N -1 0 346.386 3.661 20 0 EHADRM C[C@@H](CC(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21)n1cccc1 ZINC001592239582 977449572 /nfs/dbraw/zinc/44/95/72/977449572.db2.gz CHTJQVZRSYXNSR-LIRRHRJNSA-N -1 0 336.391 3.535 20 0 EHADRM C[C@@H](NC(=O)C[C@@H](C)CC(C)(C)C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001592243015 977465323 /nfs/dbraw/zinc/46/53/23/977465323.db2.gz RKRXMMSRLAAACC-BFYDXBDKSA-N -1 0 333.472 3.897 20 0 EHADRM C[C@H](CC(=O)N[C@](C)(Cc1ccc(F)cc1)C(=O)[O-])C1CCCCC1 ZINC001592243645 977468817 /nfs/dbraw/zinc/46/88/17/977468817.db2.gz ZDKSEKUDRPOCIJ-JLTOFOAXSA-N -1 0 349.446 3.934 20 0 EHADRM C[C@H](CC(=O)NC[C@@H](CC1CCCC1)C(=O)[O-])c1cccc(F)c1 ZINC001592254346 977489245 /nfs/dbraw/zinc/48/92/45/977489245.db2.gz FUZJAVLMBAPUSE-CZUORRHYSA-N -1 0 335.419 3.717 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)c1ccc(Cl)cc1)c1cccc(F)c1 ZINC001592303935 977660905 /nfs/dbraw/zinc/66/09/05/977660905.db2.gz GSMVYZXYMJTECW-QGZVFWFLSA-N -1 0 335.762 3.599 20 0 EHADRM C[C@@](CC(=O)[O-])(NCc1cc(Cl)sc1Cl)c1cccnc1 ZINC001592327386 977739688 /nfs/dbraw/zinc/73/96/88/977739688.db2.gz AGUKIVSFFXDIDA-AWEZNQCLSA-N -1 0 345.251 3.930 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N1CCCCC[C@H]1Cc1ccccc1Cl ZINC001592341821 977792059 /nfs/dbraw/zinc/79/20/59/977792059.db2.gz FMHMFUOJBGPZFW-ZFWWWQNUSA-N -1 0 337.847 3.765 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)CSCc2ccc(F)cc2)c1 ZINC000319942100 1014439313 /nfs/dbraw/zinc/43/93/13/1014439313.db2.gz SNAAYHJYTXCIRE-UHFFFAOYSA-N -1 0 337.347 3.535 20 0 EHADRM C[C@H](CC(=O)OCc1ccccc1CC(=O)[O-])c1ccccc1F ZINC001592433905 978070244 /nfs/dbraw/zinc/07/02/44/978070244.db2.gz QEJPCGDBVMXDLJ-CYBMUJFWSA-N -1 0 330.355 3.690 20 0 EHADRM O=C([O-])[C@H](CC(=O)NCc1ccc(C2CCC2)cc1)c1ccccc1 ZINC000683140464 1014485350 /nfs/dbraw/zinc/48/53/50/1014485350.db2.gz ZJUWTKYPDDFSKG-LJQANCHMSA-N -1 0 337.419 3.829 20 0 EHADRM C[C@@H](CN(C)c1nc(Cl)c(C(F)(F)F)cc1Cl)C(=O)[O-] ZINC001592594205 978529738 /nfs/dbraw/zinc/52/97/38/978529738.db2.gz WVAKVSWJITZEFK-YFKPBYRVSA-N -1 0 331.121 3.564 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)C[C@@H]1CCC(F)(F)C1)C(=O)[O-] ZINC001592601882 978537747 /nfs/dbraw/zinc/53/77/47/978537747.db2.gz GPMDEWPJKICGHX-ZFWWWQNUSA-N -1 0 339.382 3.561 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ncc(-c3ccccc3)s2)C1 ZINC000739574471 978646213 /nfs/dbraw/zinc/64/62/13/978646213.db2.gz YXSWHJYUIRCKIB-QWHCGFSZSA-N -1 0 330.409 3.640 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N(CCC(=O)[O-])CC(C)C ZINC000746388003 978685680 /nfs/dbraw/zinc/68/56/80/978685680.db2.gz CZPBHOQQWCUNFE-UHFFFAOYSA-N -1 0 349.452 3.869 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)CSCC(F)(F)F ZINC000761605169 978711934 /nfs/dbraw/zinc/71/19/34/978711934.db2.gz ZBHOYXYCZCPCTD-UHFFFAOYSA-N -1 0 343.326 3.772 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000761650610 978713674 /nfs/dbraw/zinc/71/36/74/978713674.db2.gz MADJQUXPFNEWMZ-OAHLLOKOSA-N -1 0 331.334 3.555 20 0 EHADRM CCCCC[C@H](NC(=O)c1ccc(Oc2ccccc2)nc1)C(=O)[O-] ZINC000761848298 978715866 /nfs/dbraw/zinc/71/58/66/978715866.db2.gz WQTBNDBAWCATDT-INIZCTEOSA-N -1 0 342.395 3.637 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)[C@@H](C)Cc2ccc(F)cc2)cc1)C(=O)[O-] ZINC000762182145 978717959 /nfs/dbraw/zinc/71/79/59/978717959.db2.gz DARDOCHYZBZPDN-KBPBESRZSA-N -1 0 343.398 3.906 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)C(F)(F)c1ccccc1)C(=O)[O-] ZINC000766898698 978728189 /nfs/dbraw/zinc/72/81/89/978728189.db2.gz FSKGUSQDDFIQQX-AWEZNQCLSA-N -1 0 347.361 3.528 20 0 EHADRM CCOc1ccc2cc(C(=O)Nc3ccc(F)c(C(=O)[O-])c3)[nH]c2c1 ZINC000767095449 978734390 /nfs/dbraw/zinc/73/43/90/978734390.db2.gz JQLQWOKAHNKTQM-UHFFFAOYSA-N -1 0 342.326 3.656 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000776504797 978750843 /nfs/dbraw/zinc/75/08/43/978750843.db2.gz VFYBWCKORLUREJ-FPLPWBNLSA-N -1 0 349.383 3.553 20 0 EHADRM COc1ccc(C[C@H](C)C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000776641182 978764612 /nfs/dbraw/zinc/76/46/12/978764612.db2.gz QJSKWPDMDOTPQN-NSHDSACASA-N -1 0 347.798 3.864 20 0 EHADRM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(C3CCC3)cc2)ccc1F ZINC000782492014 978792391 /nfs/dbraw/zinc/79/23/91/978792391.db2.gz QUYUZJUUOZFQLW-UHFFFAOYSA-N -1 0 349.383 3.592 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cccc(-c2cnn(C)c2)c1 ZINC000788089600 978796368 /nfs/dbraw/zinc/79/63/68/978796368.db2.gz XZWAJQVZPJUNJT-UHFFFAOYSA-N -1 0 349.390 3.654 20 0 EHADRM C/C(=C\c1ccccc1Cl)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000799247589 978839555 /nfs/dbraw/zinc/83/95/55/978839555.db2.gz WCMMAMRQCYRPJN-PABFRNLHSA-N -1 0 341.794 3.958 20 0 EHADRM CC[C@@](C)(NC(=O)c1cc(C(=O)[O-])ccc1Cl)c1nccs1 ZINC000811819302 978863306 /nfs/dbraw/zinc/86/33/06/978863306.db2.gz NFNQQWXWFUHBAW-OAHLLOKOSA-N -1 0 338.816 3.550 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)NCc2cc3c(s2)CCCC3)c1 ZINC000811819711 978864172 /nfs/dbraw/zinc/86/41/72/978864172.db2.gz GPICMMHABRJTCS-UHFFFAOYSA-N -1 0 349.839 3.909 20 0 EHADRM CC1(CNC(=O)c2cc(C(=O)[O-])ccc2Cl)Cc2ccccc2C1 ZINC000811822192 978867693 /nfs/dbraw/zinc/86/76/93/978867693.db2.gz CNVZLYPIRTYEBI-UHFFFAOYSA-N -1 0 343.810 3.573 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)CCc2ccc3[nH]ccc3c2)cc1 ZINC000588592328 1032094821 /nfs/dbraw/zinc/09/48/21/1032094821.db2.gz NSJUWBLHUBEAMF-YHYXMXQVSA-N -1 0 334.375 3.837 20 0 EHADRM CCCCS[C@@H](C)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000829430630 978998869 /nfs/dbraw/zinc/99/88/69/978998869.db2.gz IFCLGYNSTBMCIX-DZGCQCFKSA-N -1 0 337.485 3.877 20 0 EHADRM CN(Cc1cscn1)[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000830869713 979022774 /nfs/dbraw/zinc/02/27/74/979022774.db2.gz FLRWQFNTRAUMBK-GFCCVEGCSA-N -1 0 331.224 3.708 20 0 EHADRM Cc1cc(NC(=O)N2CC[C@@](C)(c3ccccc3)C2)ccc1C(=O)[O-] ZINC000832894062 979053026 /nfs/dbraw/zinc/05/30/26/979053026.db2.gz BIUVCVSPOFATPB-HXUWFJFHSA-N -1 0 338.407 3.889 20 0 EHADRM Cc1cccc(NC(=O)NCCOc2ccc(C(=O)[O-])cc2)c1Cl ZINC000832971267 979062666 /nfs/dbraw/zinc/06/26/66/979062666.db2.gz UTRRYOJFIWCJLR-UHFFFAOYSA-N -1 0 348.786 3.547 20 0 EHADRM CC[C@H](C)c1nnc(N2CC[C@@H](C(=O)[O-])C2)n1CC1(CC)CCCC1 ZINC001595019476 979095770 /nfs/dbraw/zinc/09/57/70/979095770.db2.gz ZNSMWWWHKIBUKO-LSDHHAIUSA-N -1 0 348.491 3.673 20 0 EHADRM CC[C@H](C)n1ncc(C(=O)Oc2ccc(CC(=O)[O-])cc2)c1C1CC1 ZINC001595026640 979137177 /nfs/dbraw/zinc/13/71/77/979137177.db2.gz JOEFBSRIWYCOAE-LBPRGKRZSA-N -1 0 342.395 3.578 20 0 EHADRM CC[C@@H](C)n1ncc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1C1CC1 ZINC001595027517 979144880 /nfs/dbraw/zinc/14/48/80/979144880.db2.gz XIMOVXHGQXWWHP-KWCYVHTRSA-N -1 0 333.432 3.561 20 0 EHADRM CC[C@H](CC(C)C)C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC001595035405 979184290 /nfs/dbraw/zinc/18/42/90/979184290.db2.gz FLBYDVVQBXTUJO-NWDGAFQWSA-N -1 0 325.380 3.688 20 0 EHADRM CC[C@H](CC(=O)Nc1ccsc1C(=O)[O-])c1ccc(OC)cc1 ZINC001595036999 979201774 /nfs/dbraw/zinc/20/17/74/979201774.db2.gz MOLPRESAHIVDKX-LLVKDONJSA-N -1 0 333.409 3.977 20 0 EHADRM CC[C@H](CC(=O)Nc1sccc1C(=O)[O-])c1ccc(OC)cc1 ZINC001595037236 979205015 /nfs/dbraw/zinc/20/50/15/979205015.db2.gz UZYFNUIUYHIWBM-LLVKDONJSA-N -1 0 333.409 3.977 20 0 EHADRM CC[C@@H](CC(F)F)C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC001595042658 979236728 /nfs/dbraw/zinc/23/67/28/979236728.db2.gz QTBDLWSDAJRLEN-CABZTGNLSA-N -1 0 333.762 3.653 20 0 EHADRM C/C(=C\C(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1)C1CC1 ZINC000836750421 979253474 /nfs/dbraw/zinc/25/34/74/979253474.db2.gz RZBVYYYNZSIWEM-WYMLVPIESA-N -1 0 327.424 3.522 20 0 EHADRM CCCCCC[C@@H](CC)C(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000836750925 979254655 /nfs/dbraw/zinc/25/46/55/979254655.db2.gz MKGVXDGZMUGXHQ-DOMZBBRYSA-N -1 0 337.382 3.849 20 0 EHADRM CCC(CC)(C(=O)[O-])c1csc(CC(=O)Nc2cccc(C)c2)n1 ZINC001595047972 979263580 /nfs/dbraw/zinc/26/35/80/979263580.db2.gz RAXKYOWJKVDHON-UHFFFAOYSA-N -1 0 346.452 3.775 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1ccc(C)c(OC(C)C)c1 ZINC001595049741 979275761 /nfs/dbraw/zinc/27/57/61/979275761.db2.gz BSEZJBIUGJEVCJ-UHFFFAOYSA-N -1 0 336.432 3.937 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000840944364 979282644 /nfs/dbraw/zinc/28/26/44/979282644.db2.gz BXCDKFRRHAXNSB-SFHVURJKSA-N -1 0 347.436 3.623 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000840944363 979282804 /nfs/dbraw/zinc/28/28/04/979282804.db2.gz BXCDKFRRHAXNSB-GOSISDBHSA-N -1 0 347.436 3.623 20 0 EHADRM CCC(CC)(CNC(=O)[C@@](C)(Cc1ccccc1)C(C)C)C(=O)[O-] ZINC001595064686 979327151 /nfs/dbraw/zinc/32/71/51/979327151.db2.gz ITEJEFZDTONCIB-IBGZPJMESA-N -1 0 333.472 3.899 20 0 EHADRM O=C([O-])c1cc(NC(=O)C2CC3(CCC3)C2)ccc1N1CCCCC1 ZINC000843268672 979333716 /nfs/dbraw/zinc/33/37/16/979333716.db2.gz MAXHVPYATMLTGK-UHFFFAOYSA-N -1 0 342.439 3.894 20 0 EHADRM C[C@H](NCc1ccc(CSC(F)F)o1)c1ncc(C(=O)[O-])s1 ZINC000843306263 979336203 /nfs/dbraw/zinc/33/62/03/979336203.db2.gz PJSZMXOFTNIGOW-ZETCQYMHSA-N -1 0 348.396 3.741 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cc(C)c(C)cc1Cl)C(=O)[O-] ZINC001595070414 979338721 /nfs/dbraw/zinc/33/87/21/979338721.db2.gz RYZBFUBISGRQEE-UHFFFAOYSA-N -1 0 326.824 3.969 20 0 EHADRM O=C([O-])CCCC(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000843330780 979339281 /nfs/dbraw/zinc/33/92/81/979339281.db2.gz UIOSEBKGFOUDNC-UHFFFAOYSA-N -1 0 341.860 3.678 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccoc1C1CC1)c1cccc(Cl)c1 ZINC000844155576 979343243 /nfs/dbraw/zinc/34/32/43/979343243.db2.gz SFLQBFJQJXYVSN-CQSZACIVSA-N -1 0 333.771 3.756 20 0 EHADRM Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)CCCC(=O)[O-] ZINC000844246575 979391818 /nfs/dbraw/zinc/39/18/18/979391818.db2.gz XMRBKEYDQSYTDU-HNNXBMFYSA-N -1 0 331.437 3.711 20 0 EHADRM COc1ccc(CNC(=O)/C=C\C2CCCCCC2)cc1C(=O)[O-] ZINC000846112774 979403762 /nfs/dbraw/zinc/40/37/62/979403762.db2.gz FQHZQOITSBQLHU-LUAWRHEFSA-N -1 0 331.412 3.536 20 0 EHADRM C[C@@H](COCc1ccccc1)OC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001592780504 979409328 /nfs/dbraw/zinc/40/93/28/979409328.db2.gz GSLIDCJWHGLBEU-VMEOHVCESA-N -1 0 346.423 3.560 20 0 EHADRM CCC(CC)[C@@H]1C[C@@H](NC(=O)Nc2ccc(C(=O)[O-])s2)CCO1 ZINC001595110346 979455531 /nfs/dbraw/zinc/45/55/31/979455531.db2.gz YZYFEYHVEDQRKR-RYUDHWBXSA-N -1 0 340.445 3.552 20 0 EHADRM CCC(CC)CN(CC)C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001595111887 979461732 /nfs/dbraw/zinc/46/17/32/979461732.db2.gz ZNAHNCYTPWRRHX-UHFFFAOYSA-N -1 0 330.428 3.624 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccs2)cc1 ZINC001595121418 979490873 /nfs/dbraw/zinc/49/08/73/979490873.db2.gz LLIZYUQKBMCHTF-MRXNPFEDSA-N -1 0 347.436 3.871 20 0 EHADRM CCc1ccc(CN(C(=O)c2ccc(/C=C\C(=O)[O-])o2)C2CC2)cc1 ZINC000851594285 979505242 /nfs/dbraw/zinc/50/52/42/979505242.db2.gz HNEHHDYJMQXRFD-BENRWUELSA-N -1 0 339.391 3.745 20 0 EHADRM Cc1cc(C)c2c(c1)N(C(=O)c1ccc(/C=C/C(=O)[O-])o1)CCC2 ZINC000851594169 979505479 /nfs/dbraw/zinc/50/54/79/979505479.db2.gz GXJCQPVBOOICSL-SOFGYWHQSA-N -1 0 325.364 3.587 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N2CCCC3(C2)CCCCCC3)o1 ZINC000851595031 979507456 /nfs/dbraw/zinc/50/74/56/979507456.db2.gz FYEPPZKJBJLOPT-CLFYSBASSA-N -1 0 331.412 3.954 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)c1ccc(CF)cc1)C(=O)[O-] ZINC000851595418 979508032 /nfs/dbraw/zinc/50/80/32/979508032.db2.gz IVVUDBUBFYSBRW-CQSZACIVSA-N -1 0 329.371 3.519 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@@H](C)c1ccccc1C(F)(F)F ZINC000851595630 979508987 /nfs/dbraw/zinc/50/89/87/979508987.db2.gz OWXPCKHFZIGARP-QMMMGPOBSA-N -1 0 341.285 3.796 20 0 EHADRM CC[C@@H](CC1CCCCC1)C(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001595125741 979510414 /nfs/dbraw/zinc/51/04/14/979510414.db2.gz HRXCYMVYWJROTR-GJZGRUSLSA-N -1 0 347.459 3.529 20 0 EHADRM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851600099 979518582 /nfs/dbraw/zinc/51/85/82/979518582.db2.gz CECOEBOTJQFJKV-WGDOYQSBSA-N -1 0 343.354 3.535 20 0 EHADRM CCCN(CCc1cccc(F)c1)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851601263 979520734 /nfs/dbraw/zinc/52/07/34/979520734.db2.gz JTQQPICUESBJHK-VQHVLOKHSA-N -1 0 345.370 3.611 20 0 EHADRM C[C@@H](CSCc1ccccc1)C(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1 ZINC001592826367 979550271 /nfs/dbraw/zinc/55/02/71/979550271.db2.gz ZZXUHJDPKWHDEX-DOXZYTNZSA-N -1 0 349.496 3.706 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001592830043 979551311 /nfs/dbraw/zinc/55/13/11/979551311.db2.gz GITOMUBIKJMUHF-SPYBWZPUSA-N -1 0 347.480 3.518 20 0 EHADRM C[C@@](Cc1ccccc1)(NC(=O)c1ccc(/C=C/C(=O)[O-])o1)C1CC1 ZINC000851621788 979552843 /nfs/dbraw/zinc/55/28/43/979552843.db2.gz CUJPYUGJAFEHBC-XETPZZHUSA-N -1 0 339.391 3.519 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC001592830490 979555969 /nfs/dbraw/zinc/55/59/69/979555969.db2.gz WTJVZRGEAOURAX-YOEHRIQHSA-N -1 0 349.496 3.955 20 0 EHADRM C[C@H](CSc1ccc(F)cc1)C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C ZINC001592830539 979556813 /nfs/dbraw/zinc/55/68/13/979556813.db2.gz YYROESMXXMCMQI-RISCZKNCSA-N -1 0 341.448 3.560 20 0 EHADRM CCCC[C@H](C(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1)C(C)C ZINC000856926762 979611486 /nfs/dbraw/zinc/61/14/86/979611486.db2.gz IAFVWSYDHULOTE-FXAWDEMLSA-N -1 0 331.456 3.704 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)Nc1cccc(C(=O)[O-])c1Cl ZINC001592853754 979646577 /nfs/dbraw/zinc/64/65/77/979646577.db2.gz JETUXUKKNRKPOA-SNVBAGLBSA-N -1 0 335.762 3.995 20 0 EHADRM CC[C@H](CNC(=O)Nc1ccccc1COC(C)(C)CC)C(=O)[O-] ZINC001595153882 979656689 /nfs/dbraw/zinc/65/66/89/979656689.db2.gz HHJIYSHDNQZFHR-CYBMUJFWSA-N -1 0 336.432 3.624 20 0 EHADRM CC(C)c1ccccc1Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000864100043 979683420 /nfs/dbraw/zinc/68/34/20/979683420.db2.gz PEHCQPKCQHSNQA-UHFFFAOYSA-N -1 0 326.396 3.758 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2(c3cccnc3)CCCC2)cc1Cl ZINC000864100187 979683660 /nfs/dbraw/zinc/68/36/60/979683660.db2.gz LPNKKSOYANJXPG-UHFFFAOYSA-N -1 0 344.798 3.884 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N2CC3(CCC3)C[C@H]2C)cc1)C(=O)[O-] ZINC001592860188 979688694 /nfs/dbraw/zinc/68/86/94/979688694.db2.gz GCYQBJKMVACZRI-UONOGXRCSA-N -1 0 330.428 3.746 20 0 EHADRM CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000864104767 979691216 /nfs/dbraw/zinc/69/12/16/979691216.db2.gz SRFMNGZQEDHJEI-HNNXBMFYSA-N -1 0 329.421 3.904 20 0 EHADRM O=C([O-])c1coc(/C=C/C(=O)N2CCCCC[C@H]2c2ccco2)c1 ZINC000864110728 979701661 /nfs/dbraw/zinc/70/16/61/979701661.db2.gz ICDQUQQUBSUVEJ-KIUWMYQTSA-N -1 0 329.352 3.728 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)NC2(C(F)(F)F)CCC2)cc1)C(=O)[O-] ZINC001592868231 979719275 /nfs/dbraw/zinc/71/92/75/979719275.db2.gz WTCUZAKTQHLQKE-SNVBAGLBSA-N -1 0 344.333 3.556 20 0 EHADRM Cc1ccc(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)cc1C(=O)[O-] ZINC000864129622 979730281 /nfs/dbraw/zinc/73/02/81/979730281.db2.gz NFUULDQDSNDJCI-BBRMVZONSA-N -1 0 341.382 3.851 20 0 EHADRM CC(C)(CC(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000864133499 979735120 /nfs/dbraw/zinc/73/51/20/979735120.db2.gz QTQBIRIIWMZUEG-UHFFFAOYSA-N -1 0 345.370 3.596 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2c(F)cc(F)cc2F)cc1)C(=O)[O-] ZINC001592873783 979737436 /nfs/dbraw/zinc/73/74/36/979737436.db2.gz ZRPVBBHZKAJPBW-VIFPVBQESA-N -1 0 337.297 3.619 20 0 EHADRM C[C@@H](Cc1ccc(NC[C@H](O)Cc2cccc(Cl)c2)cc1)C(=O)[O-] ZINC001592877043 979743316 /nfs/dbraw/zinc/74/33/16/979743316.db2.gz HOYHDCOYFWTASB-SCLBCKFNSA-N -1 0 347.842 3.619 20 0 EHADRM CCN(C(=O)c1ccc(C)c(C(=O)[O-])c1)[C@@H](C)Cc1ccsc1 ZINC000864142600 979748029 /nfs/dbraw/zinc/74/80/29/979748029.db2.gz LEXCCXLTSILQFQ-ZDUSSCGKSA-N -1 0 331.437 3.848 20 0 EHADRM O=C([O-])CC1(NC(=O)/C=C\c2csc(C(F)(F)F)c2)CCCC1 ZINC000864142723 979748094 /nfs/dbraw/zinc/74/80/94/979748094.db2.gz OMILMVKIYDNXHB-ARJAWSKDSA-N -1 0 347.358 3.684 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@@](F)(c3ccccc3C)C2)cc1C(=O)[O-] ZINC000864151189 979762153 /nfs/dbraw/zinc/76/21/53/979762153.db2.gz MUXZYKFFZQOTGP-FQEVSTJZSA-N -1 0 341.382 3.713 20 0 EHADRM C[C@H](Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1)C(=O)[O-] ZINC001592884015 979764741 /nfs/dbraw/zinc/76/47/41/979764741.db2.gz YLQDSLOXZLAMQZ-SECBINFHSA-N -1 0 325.290 3.502 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC001592885810 979771631 /nfs/dbraw/zinc/77/16/31/979771631.db2.gz SUXKUKSLFLUTBG-GFCCVEGCSA-N -1 0 332.783 3.751 20 0 EHADRM O=C([O-])CN(C(=O)c1cc2c(cccc2C2CC2)[nH]1)C1CCCC1 ZINC000864159083 979772925 /nfs/dbraw/zinc/77/29/25/979772925.db2.gz VOLBJQHYVKPCDG-UHFFFAOYSA-N -1 0 326.396 3.515 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1 ZINC001592896672 979798135 /nfs/dbraw/zinc/79/81/35/979798135.db2.gz RHMAFZPPHYLIPM-CYBMUJFWSA-N -1 0 344.382 3.972 20 0 EHADRM CCCCSCC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC000864170597 979799009 /nfs/dbraw/zinc/79/90/09/979799009.db2.gz PTVHQJDSVLHZCI-UHFFFAOYSA-N -1 0 347.383 3.501 20 0 EHADRM C[C@H](Cc1ccco1)C(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-] ZINC001592900157 979818883 /nfs/dbraw/zinc/81/88/83/979818883.db2.gz QCHJMPMIVIEYIK-MRVPVSSYSA-N -1 0 325.723 3.588 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000864177524 979822206 /nfs/dbraw/zinc/82/22/06/979822206.db2.gz OFEKCIVVDLEADS-COTBVSBHSA-N -1 0 339.391 3.784 20 0 EHADRM CCCCN(C(=O)c1ccc(/C=C\C(=O)[O-])o1)[C@@H]1CCCC[C@H]1OC ZINC000864178503 979824797 /nfs/dbraw/zinc/82/47/97/979824797.db2.gz BTDHUJPPHCNENM-NLNHSMHESA-N -1 0 349.427 3.577 20 0 EHADRM C[C@H](Cc1cccs1)NC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001592902560 979828232 /nfs/dbraw/zinc/82/82/32/979828232.db2.gz KYUCQENKSPTJKZ-SNVBAGLBSA-N -1 0 343.408 3.680 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N3C4CCC3(C(=O)[O-])CC4)[nH]c2c1 ZINC000864187592 979833882 /nfs/dbraw/zinc/83/38/82/979833882.db2.gz BYXGMGSZKZZLRA-UHFFFAOYSA-N -1 0 326.396 3.513 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)CC/C=C\c2ccccc2)C[C@@H]1c1ccccc1 ZINC000579800771 1014610908 /nfs/dbraw/zinc/61/09/08/1014610908.db2.gz MMNDCWYOYFEOQF-RHHFQONYSA-N -1 0 349.430 3.807 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NCC(C)(C)C(C)(F)F)C(=O)[O-] ZINC000864217961 979907567 /nfs/dbraw/zinc/90/75/67/979907567.db2.gz TZILJPZJTZXJAW-JTQLQIEISA-N -1 0 345.411 3.663 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)[C@H](C)c2ccccc2F)c1 ZINC000864230367 979928091 /nfs/dbraw/zinc/92/80/91/979928091.db2.gz WJAMEGYRCCJLIY-CXAGYDPISA-N -1 0 329.371 3.570 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000864509129 979939462 /nfs/dbraw/zinc/93/94/62/979939462.db2.gz GSIMHPHLKPHQSF-UHFFFAOYSA-N -1 0 338.407 3.541 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)Oc1ccc(N(C)C)c(C(=O)[O-])c1 ZINC001595210081 979982656 /nfs/dbraw/zinc/98/26/56/979982656.db2.gz BJQVIQXAPWYDHO-HNNXBMFYSA-N -1 0 341.407 3.625 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001595210917 979985731 /nfs/dbraw/zinc/98/57/31/979985731.db2.gz LWCAUCOTQIPLNL-RBUKOAKNSA-N -1 0 345.483 3.961 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001595211376 979991735 /nfs/dbraw/zinc/99/17/35/979991735.db2.gz TUSMDHYMZKDESG-FUHWJXTLSA-N -1 0 337.419 3.779 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001595212143 979996914 /nfs/dbraw/zinc/99/69/14/979996914.db2.gz XJXOCQXIEOSDST-OXJNMPFZSA-N -1 0 331.456 3.795 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC001595212236 979997723 /nfs/dbraw/zinc/99/77/23/979997723.db2.gz YPLKOADUHSVKEZ-HKUYNNGSSA-N -1 0 339.435 3.548 20 0 EHADRM CC(F)(F)c1ccc(C(=O)Nc2cc(CCC(=O)[O-])ccc2O)cc1 ZINC001592943156 980013269 /nfs/dbraw/zinc/01/32/69/980013269.db2.gz CSANIYKPHJAEEG-UHFFFAOYSA-N -1 0 349.333 3.773 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC001595218283 980031650 /nfs/dbraw/zinc/03/16/50/980031650.db2.gz HYQRBZOBPZQZOK-MRXNPFEDSA-N -1 0 331.456 3.715 20 0 EHADRM CC[C@H](Cc1cccs1)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC001595218570 980033452 /nfs/dbraw/zinc/03/34/52/980033452.db2.gz JXDKGXDMYRHKPR-GFCCVEGCSA-N -1 0 335.425 3.897 20 0 EHADRM O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)Nc1ccccc1-c1ccccc1 ZINC000872698884 980077185 /nfs/dbraw/zinc/07/71/85/980077185.db2.gz AMQAWSHCAGQTMS-JKSUJKDBSA-N -1 0 339.391 3.562 20 0 EHADRM CC[C@@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1cccc(Cl)c1 ZINC001595237442 980146053 /nfs/dbraw/zinc/14/60/53/980146053.db2.gz HLPZPYZAKOCEGB-RCQQVGEISA-N -1 0 333.771 3.912 20 0 EHADRM C[C@H](NC(=O)C1CC2(C1)CCCCC2)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593002334 980214642 /nfs/dbraw/zinc/21/46/42/980214642.db2.gz FTFQHJIYFIWCBQ-MAUKXSAKSA-N -1 0 343.467 3.795 20 0 EHADRM C[C@@H](NC(=O)C1CCCCCCC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593007385 980226777 /nfs/dbraw/zinc/22/67/77/980226777.db2.gz TXXIWVYXPBJCBU-CRAIPNDOSA-N -1 0 331.456 3.795 20 0 EHADRM C[C@H](NC(=O)/C=C\c1cc(C(=O)[O-])co1)c1c(F)cccc1Cl ZINC001593008347 980230529 /nfs/dbraw/zinc/23/05/29/980230529.db2.gz FJPFFPNDDIRCIB-UDIARPCQSA-N -1 0 337.734 3.661 20 0 EHADRM CC[C@](NC(=O)OC1CCCC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595257895 980249545 /nfs/dbraw/zinc/24/95/45/980249545.db2.gz JEDWYLITHYIYFK-MRXNPFEDSA-N -1 0 325.792 3.699 20 0 EHADRM O=C([O-])/C=C\c1ccc(CN(Cc2cccs2)C[C@@H]2CCCO2)o1 ZINC000901417968 980265476 /nfs/dbraw/zinc/26/54/76/980265476.db2.gz XOJXXJZMFTTYAG-LZNQSLFOSA-N -1 0 347.436 3.620 20 0 EHADRM C[C@@H](NC(=O)CCC[Si](C)(C)C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593019374 980270109 /nfs/dbraw/zinc/27/01/09/980270109.db2.gz RPWCLVOODWEUKK-GDBMZVCRSA-N -1 0 335.520 3.553 20 0 EHADRM CC[C@@](NC(=O)c1cc(F)ccc1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595265012 980272809 /nfs/dbraw/zinc/27/28/09/980272809.db2.gz JNGDXPPISRIOKE-SFHVURJKSA-N -1 0 349.789 3.907 20 0 EHADRM C[C@H](NC(=O)CCc1ccccc1C(=O)[O-])c1c(F)cccc1Cl ZINC001593019671 980272841 /nfs/dbraw/zinc/27/28/41/980272841.db2.gz FDJMLIISORZDQW-NSHDSACASA-N -1 0 349.789 3.987 20 0 EHADRM CC(C)Sc1cccc(Cl)c1CN1CC[C@](F)(C(=O)[O-])C1 ZINC000901520926 980338799 /nfs/dbraw/zinc/33/87/99/980338799.db2.gz ZXSMCQPJWYEOJF-OAHLLOKOSA-N -1 0 331.840 3.839 20 0 EHADRM CCCc1ccc(CNc2ccc(C(=O)NCCC(=O)[O-])cc2)s1 ZINC000901565022 980383527 /nfs/dbraw/zinc/38/35/27/980383527.db2.gz JUBLJLUCGAFNKN-UHFFFAOYSA-N -1 0 346.452 3.517 20 0 EHADRM O=C([O-])c1ccc(CN[C@H](CCc2ccccc2)C(F)F)c(F)c1 ZINC000901757633 980489063 /nfs/dbraw/zinc/48/90/63/980489063.db2.gz HRGDEKUQNCOHQB-MRXNPFEDSA-N -1 0 337.341 3.880 20 0 EHADRM CC[C@H](Nc1cccc(C(=O)NC2CC2)c1)c1ccc(C(=O)[O-])cc1 ZINC001595317888 980496490 /nfs/dbraw/zinc/49/64/90/980496490.db2.gz CNLIFALDUHMDCB-SFHVURJKSA-N -1 0 338.407 3.840 20 0 EHADRM Cc1ccc([C@H](NCc2ncc(C(F)(F)F)s2)C(=O)[O-])cc1C ZINC000901844132 980566814 /nfs/dbraw/zinc/56/68/14/980566814.db2.gz LISCTCXUFVAVGJ-ZDUSSCGKSA-N -1 0 344.358 3.694 20 0 EHADRM CC[C@H](OC(=O)[C@H](C)c1ccc(C(=O)C(C)C)cc1)[C@H](C)C(=O)[O-] ZINC001595334293 980583232 /nfs/dbraw/zinc/58/32/32/980583232.db2.gz DTGACYNADKJKLM-WWGRRREGSA-N -1 0 334.412 3.671 20 0 EHADRM CC[C@H](OC(=O)CC1(CC(=O)[O-])CCCC1)C(=O)c1ccccc1 ZINC001595335755 980590302 /nfs/dbraw/zinc/59/03/02/980590302.db2.gz FXLSIFLMNAUORO-HNNXBMFYSA-N -1 0 332.396 3.616 20 0 EHADRM CC[C@H](OC(=O)CCc1ccccc1C(=O)[O-])c1ccc(F)cn1 ZINC001595340077 980615874 /nfs/dbraw/zinc/61/58/74/980615874.db2.gz JTOSTVDLGBSUEW-INIZCTEOSA-N -1 0 331.343 3.546 20 0 EHADRM CC[C@@H](OC(=O)c1ccc(/C=C\C(=O)[O-])o1)c1ccc(OC)cc1 ZINC001595348236 980645278 /nfs/dbraw/zinc/64/52/78/980645278.db2.gz JIQIZLPUHHQTGW-ZHUYAKLQSA-N -1 0 330.336 3.694 20 0 EHADRM CC[C@H](OC(=O)c1ccc(/C=C\C(=O)[O-])o1)c1ccc(OC)cc1 ZINC001595348234 980645295 /nfs/dbraw/zinc/64/52/95/980645295.db2.gz JIQIZLPUHHQTGW-KLQCNHIUSA-N -1 0 330.336 3.694 20 0 EHADRM CC[C@H](OC(=O)c1sc(-c2ccccc2)nc1C(F)F)C(=O)[O-] ZINC001595353717 980684460 /nfs/dbraw/zinc/68/44/60/980684460.db2.gz JGRCKLNNVLHBIH-VIFPVBQESA-N -1 0 341.335 3.768 20 0 EHADRM CC[C@H](OC(=O)c1csc(Cc2ccc(C)cc2)n1)[C@H](C)C(=O)[O-] ZINC001595353905 980686525 /nfs/dbraw/zinc/68/65/25/980686525.db2.gz LTULENHZSDGFPC-WFASDCNBSA-N -1 0 347.436 3.698 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC001595356814 980715895 /nfs/dbraw/zinc/71/58/95/980715895.db2.gz OCCQANGVDFPLCT-KRWDZBQOSA-N -1 0 347.455 3.694 20 0 EHADRM CNC(=O)c1ccc(C)c(N[C@@H]2CCC[C@@H](CCCC(=O)[O-])C2)c1 ZINC000902104378 980735906 /nfs/dbraw/zinc/73/59/06/980735906.db2.gz KZAOIYYBCPKMOR-GOEBONIOSA-N -1 0 332.444 3.580 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001595359300 980740455 /nfs/dbraw/zinc/74/04/55/980740455.db2.gz WOFXVIQAUWIMPS-NVXWUHKLSA-N -1 0 349.496 3.955 20 0 EHADRM CC[C@@H](c1ccc(F)cc1)[S@](=O)CCc1ccccc1C(=O)[O-] ZINC001595359622 980743341 /nfs/dbraw/zinc/74/33/41/980743341.db2.gz FSNTVXILBAVDEE-GAJHUEQPSA-N -1 0 334.412 3.966 20 0 EHADRM Cc1ccc(NC(=O)C2CC2)cc1NCc1ccc(/C=C\C(=O)[O-])o1 ZINC000902124683 980746279 /nfs/dbraw/zinc/74/62/79/980746279.db2.gz GOFVUXIZZQXWND-HJWRWDBZSA-N -1 0 340.379 3.646 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccc2ncccc2c1 ZINC001595361165 980759260 /nfs/dbraw/zinc/75/92/60/980759260.db2.gz UHJGRVYXETVLGE-IBGZPJMESA-N -1 0 348.402 3.913 20 0 EHADRM CC(C)(CCNc1ccc(C(=O)N2CCCCCC2)cc1)C(=O)[O-] ZINC000902154381 980760853 /nfs/dbraw/zinc/76/08/53/980760853.db2.gz UOQKTKBZHIGBNQ-UHFFFAOYSA-N -1 0 332.444 3.616 20 0 EHADRM Cc1c2occ(CC(=O)N3CC[C@@H](C(=O)[O-])[C@@H](C)C3)c2ccc1Cl ZINC000902159999 980761519 /nfs/dbraw/zinc/76/15/19/980761519.db2.gz HYFIIIZEWVPROG-GXFFZTMASA-N -1 0 349.814 3.506 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@H](C)Cc1ccccc1 ZINC001595361848 980766062 /nfs/dbraw/zinc/76/60/62/980766062.db2.gz QFWQHSQENWCPDD-APWZRJJASA-N -1 0 339.435 3.930 20 0 EHADRM COCCOc1c(Cl)cccc1NCc1cc(C(=O)[O-])c(C)o1 ZINC000902182211 980772395 /nfs/dbraw/zinc/77/23/95/980772395.db2.gz MTYDNPHUEBYRAD-UHFFFAOYSA-N -1 0 339.775 3.577 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])Cc1cnc2ccccc2n1 ZINC001595362728 980774366 /nfs/dbraw/zinc/77/43/66/980774366.db2.gz ODZUWBPWWZKGKQ-IBGZPJMESA-N -1 0 335.407 3.668 20 0 EHADRM CCc1cccc2c1OCC[C@@H]2NCc1ccc(/C=C\C(=O)[O-])o1 ZINC000902212351 980784453 /nfs/dbraw/zinc/78/44/53/980784453.db2.gz BTMVNCPJLZRCLI-JJEJIETFSA-N -1 0 327.380 3.553 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001595363939 980788309 /nfs/dbraw/zinc/78/83/09/980788309.db2.gz MPMRLCARNDCDOR-KVNDZABWSA-N -1 0 327.380 3.991 20 0 EHADRM CC[C@H](c1ccccc1)N(CC)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001595363940 980788411 /nfs/dbraw/zinc/78/84/11/980788411.db2.gz MPMRLCARNDCDOR-SICOMBFOSA-N -1 0 327.380 3.991 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001595364419 980793710 /nfs/dbraw/zinc/79/37/10/980793710.db2.gz RANYVWQWWDCLSW-INIZCTEOSA-N -1 0 327.384 3.785 20 0 EHADRM CCC1(C(=O)Nc2nc3c(s2)CC[C@@H](C(=O)[O-])C3)CCCCC1 ZINC001595367969 980821154 /nfs/dbraw/zinc/82/11/54/980821154.db2.gz NMCIIOJZXDJATN-LLVKDONJSA-N -1 0 336.457 3.632 20 0 EHADRM COc1cc(NCc2cc(C)c(C(=O)[O-])o2)cc(Cl)c1OC ZINC000902331143 980836185 /nfs/dbraw/zinc/83/61/85/980836185.db2.gz XLOSAJREDKZLAD-UHFFFAOYSA-N -1 0 325.748 3.569 20 0 EHADRM CCC1(CC)CCCN(C(=O)NCc2ccc(OC)c(C(=O)[O-])c2)C1 ZINC001595374584 980885347 /nfs/dbraw/zinc/88/53/47/980885347.db2.gz JLHIEWKFTPCBME-UHFFFAOYSA-N -1 0 348.443 3.505 20 0 EHADRM CCC1(CC)CCN(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)C1 ZINC001595375060 980891190 /nfs/dbraw/zinc/89/11/90/980891190.db2.gz OEIUCXBPVFBQJO-CQSZACIVSA-N -1 0 332.444 3.994 20 0 EHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000902454354 980894772 /nfs/dbraw/zinc/89/47/72/980894772.db2.gz FCQCZMPSGNEQPX-GFPCFBFFSA-N -1 0 347.455 3.670 20 0 EHADRM COc1cc(C[C@H](C)Nc2ccc(SC)c(C(=O)[O-])c2)ccn1 ZINC000902570964 980938790 /nfs/dbraw/zinc/93/87/90/980938790.db2.gz RSOYNBKCBGEAOK-NSHDSACASA-N -1 0 332.425 3.553 20 0 EHADRM CC(C)c1ccc(-c2ncc(CN3C[C@@H](F)C[C@H]3C(=O)[O-])s2)cc1 ZINC000903616885 980994552 /nfs/dbraw/zinc/99/45/52/980994552.db2.gz MPPKXUXYIFHYFU-HOCLYGCPSA-N -1 0 348.443 3.931 20 0 EHADRM CCC1CCC(NC(=O)c2ccc(-c3ccccc3)[nH]2)(C(=O)[O-])CC1 ZINC001595424549 981042649 /nfs/dbraw/zinc/04/26/49/981042649.db2.gz CZIZEZNZNDOCRK-UHFFFAOYSA-N -1 0 340.423 3.835 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1C(=O)Oc1cc(/C=C\C(=O)[O-])ccc1OC ZINC001595441270 981079250 /nfs/dbraw/zinc/07/92/50/981079250.db2.gz PHLDWNWPRWSIGF-IFCOSYQSSA-N -1 0 332.396 3.915 20 0 EHADRM CC[C@H]1CCCC[C@H]1N(C)C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001595444579 981089652 /nfs/dbraw/zinc/08/96/52/981089652.db2.gz RJRKEDIZWWNSPX-GXFFZTMASA-N -1 0 339.823 3.866 20 0 EHADRM CC[C@H]1CCCC[C@H]1OCC(=O)OC1CCC(CC(=O)[O-])CC1 ZINC001595448485 981098990 /nfs/dbraw/zinc/09/89/90/981098990.db2.gz RBCMQKULOMRQJJ-BHDPWAOGSA-N -1 0 326.433 3.549 20 0 EHADRM CC[C@H]1CCCCCN1C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001595448715 981100466 /nfs/dbraw/zinc/10/04/66/981100466.db2.gz UPDFSXZGABSWDI-AWEZNQCLSA-N -1 0 333.432 3.637 20 0 EHADRM CC[C@@H]1CCC[C@H]1NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001595451705 981109631 /nfs/dbraw/zinc/10/96/31/981109631.db2.gz GKHXKWPDTHPNJN-BMFZPTHFSA-N -1 0 332.444 3.716 20 0 EHADRM COc1c(NC(=O)c2cnc(CC(C)(C)C)s2)cccc1C(=O)[O-] ZINC000906496120 981169931 /nfs/dbraw/zinc/16/99/31/981169931.db2.gz KUDCLUAQOHKYTI-UHFFFAOYSA-N -1 0 348.424 3.691 20 0 EHADRM CC[C@@H]1CCc2nc(NC(=O)c3cc(F)cc(C(=O)[O-])c3)sc2C1 ZINC001595471910 981177327 /nfs/dbraw/zinc/17/73/27/981177327.db2.gz SCWAARWYCASBNB-SECBINFHSA-N -1 0 348.399 3.748 20 0 EHADRM CC[C@@H]1CN(C(=O)c2oc(C(=O)[O-])cc2C)c2cccc(Cl)c2O1 ZINC001595481320 981201265 /nfs/dbraw/zinc/20/12/65/981201265.db2.gz VPWPKTXYHCMXTE-SNVBAGLBSA-N -1 0 349.770 3.757 20 0 EHADRM CCOc1ccc(NC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)c(C)c1 ZINC000907640811 981203584 /nfs/dbraw/zinc/20/35/84/981203584.db2.gz VMWNSQYOYLIBIJ-JXFKEZNVSA-N -1 0 339.391 3.591 20 0 EHADRM CC1(CC(=O)N[C@H]2CCSC3(CC(C(=O)[O-])C3)C2)CCCCC1 ZINC000908166632 981275577 /nfs/dbraw/zinc/27/55/77/981275577.db2.gz RHUIKEOJBKKFSE-FVRSWCFKSA-N -1 0 339.501 3.592 20 0 EHADRM CC/C=C(\F)C(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001595507874 981293260 /nfs/dbraw/zinc/29/32/60/981293260.db2.gz NWNFZYONKUVXSR-BNNQUZSASA-N -1 0 330.315 3.774 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)CCC1 ZINC000908340569 981305301 /nfs/dbraw/zinc/30/53/01/981305301.db2.gz DHZKMBKSJWVPEZ-OLZOCXBDSA-N -1 0 349.393 3.897 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1coc(C2CCCCC2)n1 ZINC000908606507 981329022 /nfs/dbraw/zinc/32/90/22/981329022.db2.gz DXZZSPSRZACTLE-BPUTZDHNSA-N -1 0 346.427 3.580 20 0 EHADRM CCSc1ccc(CC(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000908641454 981331630 /nfs/dbraw/zinc/33/16/30/981331630.db2.gz GZLAKEDDBWJAOC-AWEZNQCLSA-N -1 0 349.477 3.735 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1coc(C2CCCCC2)n1)c1cccs1 ZINC000908641715 981331766 /nfs/dbraw/zinc/33/17/66/981331766.db2.gz LIXFADRLKQSCDY-LBPRGKRZSA-N -1 0 348.424 3.730 20 0 EHADRM Cc1cc2scc(CC(=O)N3CCC(CC(=O)[O-])CC3)c2s1 ZINC000908679699 981338149 /nfs/dbraw/zinc/33/81/49/981338149.db2.gz NQJRLEDSRIFIOF-UHFFFAOYSA-N -1 0 337.466 3.527 20 0 EHADRM CCc1ccc([C@@H](NC(=O)c2ccoc2CC(=O)[O-])C(C)C)cc1 ZINC000908705584 981343099 /nfs/dbraw/zinc/34/30/99/981343099.db2.gz VNWZIAHSVCIONO-SFHVURJKSA-N -1 0 329.396 3.596 20 0 EHADRM CCOc1cccc([C@@H](C)NC(=O)c2ccccc2CCC(=O)[O-])c1 ZINC000908748574 981352663 /nfs/dbraw/zinc/35/26/63/981352663.db2.gz FLCQVNBCYZCGHB-CQSZACIVSA-N -1 0 341.407 3.594 20 0 EHADRM Cc1ccccc1[C@@H]1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1 ZINC000908771193 981358580 /nfs/dbraw/zinc/35/85/80/981358580.db2.gz LGBLBLSKIRSBKK-YMTQGWHGSA-N -1 0 341.451 3.736 20 0 EHADRM CCC[C@@H](C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)c1cccc(Cl)c1 ZINC001595531929 981368989 /nfs/dbraw/zinc/36/89/89/981368989.db2.gz BUQXFVUAACUWIN-IXDOHACOSA-N -1 0 349.858 3.793 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(C(=O)[O-])c2C)nn1C1CCCCC1 ZINC000908840828 981374192 /nfs/dbraw/zinc/37/41/92/981374192.db2.gz DDGFFSDGBMHIPE-UHFFFAOYSA-N -1 0 341.411 3.956 20 0 EHADRM CCC[C@@H](C(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)[O-])C(C)C ZINC001595536069 981379795 /nfs/dbraw/zinc/37/97/95/981379795.db2.gz NUEYCZNKLBAJDP-HZPDHXFCSA-N -1 0 331.412 3.617 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[C@H]1OCCc2sccc21 ZINC000909083477 981415599 /nfs/dbraw/zinc/41/55/99/981415599.db2.gz KUXTWTUCLQVMBC-BDJLRTHQSA-N -1 0 345.420 3.643 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[C@@H]1OCCc2sccc21 ZINC000909083484 981415650 /nfs/dbraw/zinc/41/56/50/981415650.db2.gz KUXTWTUCLQVMBC-ZBEGNZNMSA-N -1 0 345.420 3.643 20 0 EHADRM Cc1sc(CC(=O)Nc2cc(C(=O)[O-])ccc2C)nc1C(C)C ZINC000909086037 981416474 /nfs/dbraw/zinc/41/64/74/981416474.db2.gz JDVLCTIZJPSEBJ-UHFFFAOYSA-N -1 0 332.425 3.763 20 0 EHADRM CCC[C@](C)(NC(=O)CCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC001595547831 981423666 /nfs/dbraw/zinc/42/36/66/981423666.db2.gz XSWNTWZLDSQZAD-HNNXBMFYSA-N -1 0 332.227 3.686 20 0 EHADRM CC[C@H](C)CCC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000909135086 981424416 /nfs/dbraw/zinc/42/44/16/981424416.db2.gz UNQZCZNZHZCVTD-LBPRGKRZSA-N -1 0 328.412 3.577 20 0 EHADRM Cc1sc(CC(=O)Nc2ccc(C(=O)[O-])c(C)c2)nc1C(C)C ZINC000909222563 981435444 /nfs/dbraw/zinc/43/54/44/981435444.db2.gz IBVVLMMWUJVFQN-UHFFFAOYSA-N -1 0 332.425 3.763 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)c2cccnc2C2CC2)c1 ZINC000909228506 981437799 /nfs/dbraw/zinc/43/77/99/981437799.db2.gz CRMPRTYNIGJLKN-UHFFFAOYSA-N -1 0 342.420 3.529 20 0 EHADRM C[C@H](c1ccc(C(=O)NCC2(C(=O)[O-])CCCC2)cc1)C(F)(F)F ZINC000909276100 981456477 /nfs/dbraw/zinc/45/64/77/981456477.db2.gz PHVUBYBTBYVQLI-LLVKDONJSA-N -1 0 343.345 3.727 20 0 EHADRM Cc1ccc(NC(=O)[C@@H](C)[C@@H]2OCCc3sccc32)cc1C(=O)[O-] ZINC000909295130 981463076 /nfs/dbraw/zinc/46/30/76/981463076.db2.gz PNCYFVHGEIMRAK-ZBEGNZNMSA-N -1 0 345.420 3.643 20 0 EHADRM Cc1ccc(CCC(=O)Nc2ccc(OCCCC(=O)[O-])cc2)s1 ZINC000909331125 981470063 /nfs/dbraw/zinc/47/00/63/981470063.db2.gz GTSXOUONMUZOKE-UHFFFAOYSA-N -1 0 347.436 3.871 20 0 EHADRM CCC[C@H](C)C(=O)Nc1cc(OC)c(Br)cc1C(=O)[O-] ZINC001595570448 981473959 /nfs/dbraw/zinc/47/39/59/981473959.db2.gz CMDSTUWILJWMMM-QMMMGPOBSA-N -1 0 344.205 3.531 20 0 EHADRM CCC[C@H](CC(C)C)C(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001595579664 981509723 /nfs/dbraw/zinc/50/97/23/981509723.db2.gz SGQQFAGSGICOGS-UZLBHIALSA-N -1 0 331.456 3.704 20 0 EHADRM CCC[C@H](CC)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001595585944 981527974 /nfs/dbraw/zinc/52/79/74/981527974.db2.gz JTQRWUITCWTBOX-JTQLQIEISA-N -1 0 329.343 3.794 20 0 EHADRM COc1cc(CO)cc(Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1 ZINC001211492402 1014741280 /nfs/dbraw/zinc/74/12/80/1014741280.db2.gz UXLYQKJMPMOSEU-UHFFFAOYSA-N -1 0 341.285 3.648 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1ccc(Br)cc1C(C)C ZINC000909555292 981540146 /nfs/dbraw/zinc/54/01/46/981540146.db2.gz NHEDWWOFBNGVES-SNVBAGLBSA-N -1 0 328.206 3.622 20 0 EHADRM CCC[C@H](NC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1)c1ccccc1 ZINC001595598245 981567479 /nfs/dbraw/zinc/56/74/79/981567479.db2.gz IEAIHPJTNUUFAE-KRWDZBQOSA-N -1 0 344.411 3.969 20 0 EHADRM CCC[C@H](NCc1nc(C(=O)[O-])cs1)c1ccc(F)cc1F ZINC001595599952 981575866 /nfs/dbraw/zinc/57/58/66/981575866.db2.gz DGCARWJTCZPGBM-LBPRGKRZSA-N -1 0 326.368 3.751 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@@H]3CC[C@H](Cc4ccccc4)C3)(CC1)C2 ZINC000909728627 981581894 /nfs/dbraw/zinc/58/18/94/981581894.db2.gz FJWDLYPQHKOKRW-FBIZOPLVSA-N -1 0 341.451 3.549 20 0 EHADRM CCC[C@H](OC)C(=O)Nc1ccc(Oc2ccccc2)cc1C(=O)[O-] ZINC001595611601 981629673 /nfs/dbraw/zinc/62/96/73/981629673.db2.gz SVUYLMJDFBXOID-KRWDZBQOSA-N -1 0 343.379 3.931 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 ZINC001594761369 981692443 /nfs/dbraw/zinc/69/24/43/981692443.db2.gz AUIJOKVZCUCUDM-INIZCTEOSA-N -1 0 347.798 3.968 20 0 EHADRM CCC[C@@H]1CCC[C@@H]1C(=O)NC[C@H](Cc1cccc(C)c1)C(=O)[O-] ZINC001595621058 981695932 /nfs/dbraw/zinc/69/59/32/981695932.db2.gz AYXTVXFKVBNZJM-SQNIBIBYSA-N -1 0 331.456 3.571 20 0 EHADRM CCC[C@@H]1CCCC[C@@H]1CNC(=O)NCCc1ccccc1C(=O)[O-] ZINC001595621560 981701156 /nfs/dbraw/zinc/70/11/56/981701156.db2.gz KWCKYUSTYDAMMP-NVXWUHKLSA-N -1 0 346.471 3.833 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@@H](C)c1ccc(F)cc1F)c1ccccc1 ZINC001594764518 981708568 /nfs/dbraw/zinc/70/85/68/981708568.db2.gz OQFAEGBJZRXXRF-SJCJKPOMSA-N -1 0 347.361 3.965 20 0 EHADRM CCC[C@@H]1CCCCN1C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001595622414 981709653 /nfs/dbraw/zinc/70/96/53/981709653.db2.gz RCQDPTICLLGBOD-CQSZACIVSA-N -1 0 333.432 3.637 20 0 EHADRM CCC[C@H]1CCc2ccccc2N1CC(=O)c1cc(C(=O)[O-])[nH]c1C ZINC001595623135 981718124 /nfs/dbraw/zinc/71/81/24/981718124.db2.gz DHDNCLZESBRKEF-HNNXBMFYSA-N -1 0 340.423 3.826 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1cccc2c1O[C@@H](C)C2)c1ccccc1 ZINC001594770091 981735671 /nfs/dbraw/zinc/73/56/71/981735671.db2.gz FMVUKFDWCNNMGV-SUMWQHHRSA-N -1 0 339.391 3.520 20 0 EHADRM Cc1ccc([C@H]2CCN(C(=O)C34CCC(C(=O)[O-])(CC3)C4)C2)c(C)c1 ZINC000910024059 981736495 /nfs/dbraw/zinc/73/64/95/981736495.db2.gz YPBRIYVIEIGGIL-ATIQYGATSA-N -1 0 341.451 3.654 20 0 EHADRM CC(C)c1ccc(C(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)cn1 ZINC000910099798 981759045 /nfs/dbraw/zinc/75/90/45/981759045.db2.gz SWEHATCMQDGMOQ-ROUUACIJSA-N -1 0 338.407 3.636 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(C)(C)C)s1)c1ncc(C(=O)[O-])s1 ZINC000910152220 981766760 /nfs/dbraw/zinc/76/67/60/981766760.db2.gz JTGCXVLJSBNEMD-MRVPVSSYSA-N -1 0 338.454 3.691 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12)c1ncc(C(=O)[O-])s1 ZINC000910154179 981767392 /nfs/dbraw/zinc/76/73/92/981767392.db2.gz XACXSKHWNSOTPB-ZDEQEGDKSA-N -1 0 336.457 3.625 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)C[C@H](C)c1ccc(F)cc1 ZINC001594782544 981791581 /nfs/dbraw/zinc/79/15/81/981791581.db2.gz RMIUUQVCCVDDJX-DJJJIMSYSA-N -1 0 335.419 3.811 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)C[C@H]1CCc2ccccc21 ZINC001594782613 981792281 /nfs/dbraw/zinc/79/22/81/981792281.db2.gz SCFWDILWLXCVRT-OXQOHEQNSA-N -1 0 329.440 3.598 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@@H](C)c1cccc(Cl)c1 ZINC001594782832 981793090 /nfs/dbraw/zinc/79/30/90/981793090.db2.gz UAGHDOFMPUWIGB-SGTLLEGYSA-N -1 0 337.847 3.935 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1nc(C(C)(C)C)cs1 ZINC001594784525 981797670 /nfs/dbraw/zinc/79/76/70/981797670.db2.gz BUIPMQZRULFKPC-KRWDZBQOSA-N -1 0 338.473 3.546 20 0 EHADRM CC1(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CCC(=O)CC1 ZINC000910245599 981815443 /nfs/dbraw/zinc/81/54/43/981815443.db2.gz KCDHLHFXBCFKGI-UHFFFAOYSA-N -1 0 325.364 3.626 20 0 EHADRM CCCC[C@](C)(CO)NC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001595630283 981817615 /nfs/dbraw/zinc/81/76/15/981817615.db2.gz ACRQHYVREPLDJW-LJQANCHMSA-N -1 0 344.411 3.601 20 0 EHADRM Cc1ccc([C@H]2CCN(C(=O)c3ccccc3CCC(=O)[O-])C2)cc1 ZINC000910251778 981826047 /nfs/dbraw/zinc/82/60/47/981826047.db2.gz XNMXPZFUIAIZLX-SFHVURJKSA-N -1 0 337.419 3.642 20 0 EHADRM Cc1cc(F)c(CC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)cc1F ZINC000910299345 981853778 /nfs/dbraw/zinc/85/37/78/981853778.db2.gz SFTFFVZUTWPARD-LSDHHAIUSA-N -1 0 345.345 3.643 20 0 EHADRM CCCC[C@H](CC)CNC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001595632997 981864841 /nfs/dbraw/zinc/86/48/41/981864841.db2.gz YWAMDHUVQXRZMP-NSHDSACASA-N -1 0 332.404 3.599 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)N[C@@](C)(CC(=O)[O-])C2CC2)c1 ZINC000910316865 981871126 /nfs/dbraw/zinc/87/11/26/981871126.db2.gz IMLVSEXYAOPXBQ-VLIAUNLRSA-N -1 0 347.455 3.729 20 0 EHADRM CCCC[C@H](NC(=O)C(C)(C)c1cccc(Cl)c1F)C(=O)[O-] ZINC001595634568 981890554 /nfs/dbraw/zinc/89/05/54/981890554.db2.gz PVVBFWXVKGASEG-LBPRGKRZSA-N -1 0 329.799 3.516 20 0 EHADRM CCCC[C@H](NC(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC001595636338 981915696 /nfs/dbraw/zinc/91/56/96/981915696.db2.gz NIIBLUGCKZHKRV-NSHDSACASA-N -1 0 337.725 3.732 20 0 EHADRM CCC(C)(C)OCc1ccccc1NC(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001594814644 981939985 /nfs/dbraw/zinc/93/99/85/981939985.db2.gz UEFGCQNOEHVLHB-UHFFFAOYSA-N -1 0 330.384 3.670 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CCOc1cc(C)ccc1C(C)C ZINC001594819042 981963263 /nfs/dbraw/zinc/96/32/63/981963263.db2.gz NKGYDXQZCAPRFB-IBGZPJMESA-N -1 0 335.444 3.647 20 0 EHADRM C[C@@H](CC(=O)N1CCc2cc(C(=O)[O-])ccc2C1)c1ccccc1F ZINC000910497476 981963854 /nfs/dbraw/zinc/96/38/54/981963854.db2.gz FRIFBBRDONOIAE-ZDUSSCGKSA-N -1 0 341.382 3.602 20 0 EHADRM CCCC[C@H](OC(=O)c1cc(C)nc2c1cnn2[C@H](C)CC)C(=O)[O-] ZINC001595650768 982012844 /nfs/dbraw/zinc/01/28/44/982012844.db2.gz NBOKQYMFWKOQCQ-DOMZBBRYSA-N -1 0 347.415 3.511 20 0 EHADRM CCCC[C@H](S[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)C(C)C)C(=O)[O-] ZINC001595652707 982036098 /nfs/dbraw/zinc/03/60/98/982036098.db2.gz WNRWGINLDFLCJD-WCVJEAGWSA-N -1 0 343.533 3.892 20 0 EHADRM O=C([O-])CCc1csc(NC(=O)[C@H]2CCC[C@@H]2c2ccccc2)n1 ZINC000910645091 982037626 /nfs/dbraw/zinc/03/76/26/982037626.db2.gz VIRFIONYGRXZOQ-CABCVRRESA-N -1 0 344.436 3.683 20 0 EHADRM C[C@@H](CCC(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccccc1 ZINC000910646426 982038772 /nfs/dbraw/zinc/03/87/72/982038772.db2.gz SAEHEOHEPBUORP-LBPRGKRZSA-N -1 0 332.425 3.683 20 0 EHADRM CC[C@@](C)(NC(=O)/C=C/c1cc(C(=O)[O-])co1)c1ccc(F)cc1 ZINC001594836854 982041727 /nfs/dbraw/zinc/04/17/27/982041727.db2.gz HUIOLKDLDXTAHY-GFOMBABLSA-N -1 0 331.343 3.572 20 0 EHADRM Cc1cc(NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])nn1C(C)C ZINC000910679367 982054795 /nfs/dbraw/zinc/05/47/95/982054795.db2.gz MQXDYJUAVPOMQC-LBPRGKRZSA-N -1 0 347.440 3.590 20 0 EHADRM CCCC[C@@H](SCc1nc(-c2ccc(F)c(F)c2)no1)C(=O)[O-] ZINC001595657342 982061807 /nfs/dbraw/zinc/06/18/07/982061807.db2.gz LUOPGEGYFRUTFF-GFCCVEGCSA-N -1 0 342.367 3.891 20 0 EHADRM CCCC[C@H](SCc1nc(-c2ccc(F)c(F)c2)no1)C(=O)[O-] ZINC001595657343 982061943 /nfs/dbraw/zinc/06/19/43/982061943.db2.gz LUOPGEGYFRUTFF-LBPRGKRZSA-N -1 0 342.367 3.891 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC000910699246 982070008 /nfs/dbraw/zinc/07/00/08/982070008.db2.gz MVUJNHVTGVLQOE-LLVKDONJSA-N -1 0 340.445 3.641 20 0 EHADRM CCCCC1CCC(NC(=O)NCc2ccc(CC(=O)[O-])cc2)CC1 ZINC001595660472 982070438 /nfs/dbraw/zinc/07/04/38/982070438.db2.gz FZCNVXVBISAWBE-UHFFFAOYSA-N -1 0 346.471 3.862 20 0 EHADRM CCCC[C@H]1CCC[C@@H]1NC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001595661161 982074373 /nfs/dbraw/zinc/07/43/73/982074373.db2.gz QBEQIDFKQZJFKI-YJBOKZPZSA-N -1 0 344.455 3.811 20 0 EHADRM CCCC[C@@H]1CCC[C@H]1NC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001595661205 982074772 /nfs/dbraw/zinc/07/47/72/982074772.db2.gz RHGFNIDBLFEVPR-NVXWUHKLSA-N -1 0 332.444 3.585 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)c2cc(C)ccc2C)nc1C(=O)[O-] ZINC000910721331 982084201 /nfs/dbraw/zinc/08/42/01/982084201.db2.gz DSHPZEMDCZNQEG-AWEZNQCLSA-N -1 0 344.436 3.744 20 0 EHADRM CC(C)c1ccc2occ(C(=O)N3C[C@@H](C)[C@H](CC(=O)[O-])C3)c2c1 ZINC000910857851 982147207 /nfs/dbraw/zinc/14/72/07/982147207.db2.gz LGJNIJNXLMORNU-TZMCWYRMSA-N -1 0 329.396 3.739 20 0 EHADRM COc1cccc([C@@H](C)CCCC(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)c1 ZINC000910858545 982148474 /nfs/dbraw/zinc/14/84/74/982148474.db2.gz ZRVINKWAVJWONC-ZMSDIMECSA-N -1 0 347.455 3.538 20 0 EHADRM CCCCC[C@@H](NC(=O)c1sc(C)cc1Br)C(=O)[O-] ZINC001595680495 982154178 /nfs/dbraw/zinc/15/41/78/982154178.db2.gz FAEBBDWSNKGTDW-SNVBAGLBSA-N -1 0 348.262 3.582 20 0 EHADRM CCN(C(=O)c1ccc(C)cc1O)[C@@H](C)Cc1ccc(OC)cc1 ZINC000108983326 1014808610 /nfs/dbraw/zinc/80/86/10/1014808610.db2.gz XWVKSEYZGJGEOL-HNNXBMFYSA-N -1 0 327.424 3.803 20 0 EHADRM CSc1ccc(NC(=O)C[C@@H](C)c2c(C)n[nH]c2C)cc1C(=O)[O-] ZINC000910945909 982170552 /nfs/dbraw/zinc/17/05/52/982170552.db2.gz DNMDDZFUJWCVBZ-SECBINFHSA-N -1 0 347.440 3.579 20 0 EHADRM CSc1ccc(NC(=O)CCCC2CCOCC2)cc1C(=O)[O-] ZINC000910945503 982170602 /nfs/dbraw/zinc/17/06/02/982170602.db2.gz BFZWLUKRKYKKIT-UHFFFAOYSA-N -1 0 337.441 3.642 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)C[C@H](C)c1c(C)noc1C ZINC000910965254 982179863 /nfs/dbraw/zinc/17/98/63/982179863.db2.gz MEONOSUAOQIGRZ-JTQLQIEISA-N -1 0 330.384 3.684 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1cccc(COC(C)(C)C)c1 ZINC000911082284 982229706 /nfs/dbraw/zinc/22/97/06/982229706.db2.gz JSLKLDKZVAOQBD-UHFFFAOYSA-N -1 0 331.368 3.854 20 0 EHADRM CCCCCC[C@@H](C)NS(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001595696878 982234874 /nfs/dbraw/zinc/23/48/74/982234874.db2.gz FEZMUPYDAIGANM-LLVKDONJSA-N -1 0 347.864 3.675 20 0 EHADRM CC[C@@H](C)[C@@H](CNc1ccc(N2CCCCC2)c(C(=O)[O-])c1)OC ZINC001594884313 982262306 /nfs/dbraw/zinc/26/23/06/982262306.db2.gz PNQXZKUNUFSYNY-RDTXWAMCSA-N -1 0 334.460 3.848 20 0 EHADRM CCCCCC[C@H](O)CCC(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001595702858 982266862 /nfs/dbraw/zinc/26/68/62/982266862.db2.gz NHFDOFFSBDXUND-ZDUSSCGKSA-N -1 0 339.407 3.882 20 0 EHADRM CCN(c1ccc(NC(=O)c2ccc(/C=C/C(=O)[O-])o2)cc1)C(C)C ZINC000911213150 982288694 /nfs/dbraw/zinc/28/86/94/982288694.db2.gz ZLBONWIFMKADDT-ZRDIBKRKSA-N -1 0 342.395 3.864 20 0 EHADRM CCCCCCO[C@@H](C)C(=O)Nc1ncc(C(=O)[O-])c2ccccc21 ZINC001595710405 982294654 /nfs/dbraw/zinc/29/46/54/982294654.db2.gz GTNNCTSKWHUODE-ZDUSSCGKSA-N -1 0 344.411 3.857 20 0 EHADRM CCCCCCO[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC001595710927 982296598 /nfs/dbraw/zinc/29/65/98/982296598.db2.gz OMCNTPNBUCITPW-DOTOQJQBSA-N -1 0 335.444 3.531 20 0 EHADRM CCCCCCOc1ccc(C(=O)N2CCC[C@@]2(C)C(=O)[O-])cc1 ZINC001595714940 982311053 /nfs/dbraw/zinc/31/10/53/982311053.db2.gz KGAQCAZKHZHBOT-IBGZPJMESA-N -1 0 333.428 3.725 20 0 EHADRM CCCCCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001595716291 982320714 /nfs/dbraw/zinc/32/07/14/982320714.db2.gz WFBVYOGJKMVUKX-GASCZTMLSA-N -1 0 337.847 3.970 20 0 EHADRM CCCCCc1ccc(NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)cc1 ZINC001595726818 982347991 /nfs/dbraw/zinc/34/79/91/982347991.db2.gz AWCGILWEUDOVMW-DLBZAZTESA-N -1 0 333.428 3.770 20 0 EHADRM CCCCN(CCCC)C(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC001595745281 982411638 /nfs/dbraw/zinc/41/16/38/982411638.db2.gz XUPHYSDDTGGDIT-UHFFFAOYSA-N -1 0 336.432 3.505 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)c1cc(OCc2ccccc2)cs1)C(=O)[O-] ZINC001594911398 982415336 /nfs/dbraw/zinc/41/53/36/982415336.db2.gz DZVASTYVWOXXIS-BLLLJJGKSA-N -1 0 347.436 3.556 20 0 EHADRM O=C([O-])CC1(CC(=O)N2CCC[C@H](Nc3ccccc3)C2)CCCC1 ZINC000911458585 982440467 /nfs/dbraw/zinc/44/04/67/982440467.db2.gz NSTXDAHYIXILQD-KRWDZBQOSA-N -1 0 344.455 3.515 20 0 EHADRM CC(C)C[C@H]1CCCN(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])C1 ZINC000911459220 982441579 /nfs/dbraw/zinc/44/15/79/982441579.db2.gz JSLZFGGSVZYYAG-CQSZACIVSA-N -1 0 342.439 3.693 20 0 EHADRM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C[C@H](C)CC(=O)[O-] ZINC000911494700 982455242 /nfs/dbraw/zinc/45/52/42/982455242.db2.gz WWJHPZBKVQDBBU-ZFWWWQNUSA-N -1 0 332.444 3.813 20 0 EHADRM C[C@@H](NC(=O)CCCCC(=O)[O-])[C@H](C)c1ccccc1C(F)(F)F ZINC000911508364 982463720 /nfs/dbraw/zinc/46/37/20/982463720.db2.gz IYHVPSSOEHQLAT-NWDGAFQWSA-N -1 0 345.361 3.959 20 0 EHADRM Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)CCCCC(=O)[O-] ZINC000911542653 982485347 /nfs/dbraw/zinc/48/53/47/982485347.db2.gz WGTUOTGZBUZTSP-CYBMUJFWSA-N -1 0 331.334 3.750 20 0 EHADRM CCCCOc1cc(OC)ccc1C(=O)Nc1ccsc1C(=O)[O-] ZINC001595774600 982531931 /nfs/dbraw/zinc/53/19/31/982531931.db2.gz WCNGJFDBMCIPBZ-UHFFFAOYSA-N -1 0 349.408 3.886 20 0 EHADRM CCCCOc1ccc(CNc2nc(C)cc(C(=O)[O-])n2)cc1Cl ZINC001595775612 982538548 /nfs/dbraw/zinc/53/85/48/982538548.db2.gz NEAKKGFSIMFMLP-UHFFFAOYSA-N -1 0 349.818 3.928 20 0 EHADRM CCCCOc1ccc(C(=O)OCc2nc(C)c(C(=O)[O-])s2)cc1 ZINC001595775661 982539509 /nfs/dbraw/zinc/53/95/09/982539509.db2.gz PQPBESZZYZPZOI-UHFFFAOYSA-N -1 0 349.408 3.686 20 0 EHADRM CCCCOc1ccc(CNc2ncc(C(=O)[O-])cn2)cc1Cl ZINC001595775769 982541083 /nfs/dbraw/zinc/54/10/83/982541083.db2.gz VXKLPFKJQSSARG-UHFFFAOYSA-N -1 0 335.791 3.619 20 0 EHADRM CC[C@@H](C)[C@@H](Sc1nccn1-c1ccc(N(C)C)cc1)C(=O)[O-] ZINC001594929797 982549321 /nfs/dbraw/zinc/54/93/21/982549321.db2.gz VCUOAZYWVDRZSY-IUODEOHRSA-N -1 0 333.457 3.530 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC000911654551 982585278 /nfs/dbraw/zinc/58/52/78/982585278.db2.gz FZVLCUZMERVMEG-VIFPVBQESA-N -1 0 349.736 3.843 20 0 EHADRM CC/C(=C\C(=O)N[C@H](CC(=O)[O-])c1ccncc1)c1ccc(C)cc1 ZINC000911658766 982588424 /nfs/dbraw/zinc/58/84/24/982588424.db2.gz HHBPYROADIRMTG-NKAIQICCSA-N -1 0 338.407 3.516 20 0 EHADRM CC[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(=O)[O-])c1ccncc1 ZINC000911660023 982589691 /nfs/dbraw/zinc/58/96/91/982589691.db2.gz SLQBXWLMZOIDEH-RDJZCZTQSA-N -1 0 332.444 3.710 20 0 EHADRM CCCCc1cc(NC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)n[nH]1 ZINC001595791892 982590755 /nfs/dbraw/zinc/59/07/55/982590755.db2.gz JXFIGJUHMGEAGX-UHFFFAOYSA-N -1 0 341.371 3.576 20 0 EHADRM CCCCc1ccc(CC(=O)Oc2c(OC)cccc2C(=O)[O-])cc1 ZINC001595797528 982606818 /nfs/dbraw/zinc/60/68/18/982606818.db2.gz YDURMYBQJOUBFW-UHFFFAOYSA-N -1 0 342.391 3.884 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC001594942416 982619260 /nfs/dbraw/zinc/61/92/60/982619260.db2.gz POBBUYVRAPZQPJ-KXBFYZLASA-N -1 0 339.435 3.902 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)c1cc2c(ccc3ccccc23)[nH]1)C(=O)[O-] ZINC001594944663 982627552 /nfs/dbraw/zinc/62/75/52/982627552.db2.gz HNIPCVDTZGUFGX-SGTLLEGYSA-N -1 0 338.407 3.940 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)c1ccc(OCCC(C)C)cc1)C(=O)[O-] ZINC001594945534 982633577 /nfs/dbraw/zinc/63/35/77/982633577.db2.gz BSCQGMQMIPUYHH-YOEHRIQHSA-N -1 0 335.444 3.731 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)c1cc(Cl)cc2ccc(C)nc21)C(=O)[O-] ZINC001594946070 982637990 /nfs/dbraw/zinc/63/79/90/982637990.db2.gz WOSXDWIIBWUOIB-BMIGLBTASA-N -1 0 348.830 3.816 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)c1cc(Cl)cc2ccc(C)nc21)C(=O)[O-] ZINC001594946079 982639277 /nfs/dbraw/zinc/63/92/77/982639277.db2.gz WOSXDWIIBWUOIB-MEBBXXQBSA-N -1 0 348.830 3.816 20 0 EHADRM CCCCn1nc(C)c(CN(CC(=O)[O-])Cc2ccccc2)c1Cl ZINC001595809839 982640491 /nfs/dbraw/zinc/64/04/91/982640491.db2.gz NKOWAUXIYILZLY-UHFFFAOYSA-N -1 0 349.862 3.732 20 0 EHADRM CCCN(C(=O)CC(C)(C)CC(=O)c1ccc(C)cc1)[C@H](C)C(=O)[O-] ZINC001595816450 982673367 /nfs/dbraw/zinc/67/33/67/982673367.db2.gz IIYLGQVFXVIOEP-OAHLLOKOSA-N -1 0 347.455 3.696 20 0 EHADRM CCCN(C(=O)c1cc(Cl)cc(C(F)(F)F)c1)[C@@H](C)C(=O)[O-] ZINC001595824754 982707447 /nfs/dbraw/zinc/70/74/47/982707447.db2.gz UQVBGKRCNHLERZ-QMMMGPOBSA-N -1 0 337.725 3.684 20 0 EHADRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2F)c(C)c1 ZINC000064690974 1014873805 /nfs/dbraw/zinc/87/38/05/1014873805.db2.gz BICILOODBCPBSS-UHFFFAOYSA-N -1 0 341.791 3.789 20 0 EHADRM CCCN(C(=O)c1cccc(C(=O)[O-])n1)[C@H](CC)c1ccccc1 ZINC001595830853 982719093 /nfs/dbraw/zinc/71/90/93/982719093.db2.gz QTUJQVUFRMCGAE-QGZVFWFLSA-N -1 0 326.396 3.783 20 0 EHADRM CC[C@@H](C)CONC(=O)Nc1cc(-c2ccncc2)sc1C(=O)[O-] ZINC001594965605 982722454 /nfs/dbraw/zinc/72/24/54/982722454.db2.gz YTWIWVDFKNRWOI-SNVBAGLBSA-N -1 0 349.412 3.608 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)c2ccsc2C(F)F)c1 ZINC000923104240 982727380 /nfs/dbraw/zinc/72/73/80/982727380.db2.gz UJUDFCVOQLJBSB-GFCCVEGCSA-N -1 0 339.363 3.940 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)CCC[C@H](C)c1cccc(OC)c1 ZINC001594971875 982741374 /nfs/dbraw/zinc/74/13/74/982741374.db2.gz LNHGWSCIYXQARW-GJZGRUSLSA-N -1 0 335.444 3.681 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1NC(=O)c1ccccc1SCc1cccs1 ZINC000923132789 982745576 /nfs/dbraw/zinc/74/55/76/982745576.db2.gz AKKAPCYSHASASZ-OCCSQVGLSA-N -1 0 347.461 3.633 20 0 EHADRM CCCN(CCC)c1ccc(NC(=O)N[C@@H](CC(=O)[O-])C2CC2)cc1 ZINC001595878938 982876983 /nfs/dbraw/zinc/87/69/83/982876983.db2.gz HQNNMNRTVTZYTQ-KRWDZBQOSA-N -1 0 347.459 3.688 20 0 EHADRM CC[C@H](C)Sc1ccc(NC(=O)NOCCCC(=O)[O-])c(C)c1 ZINC001595003361 982914961 /nfs/dbraw/zinc/91/49/61/982914961.db2.gz CHUJKDKSHBNJPC-LBPRGKRZSA-N -1 0 340.445 3.804 20 0 EHADRM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CC(Cc2ccoc2)C1 ZINC000890576761 1014901223 /nfs/dbraw/zinc/90/12/23/1014901223.db2.gz PULQUODXJSAMOD-UHFFFAOYSA-N -1 0 326.179 3.607 20 0 EHADRM CCCOc1ccc(CCC(=O)Oc2ccc(CC(=O)[O-])cc2)cc1 ZINC001595954763 983141038 /nfs/dbraw/zinc/14/10/38/983141038.db2.gz VIBQUDLIJISSEI-UHFFFAOYSA-N -1 0 342.391 3.641 20 0 EHADRM CCC[C@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2)cn1)C(=O)[O-] ZINC001596020220 983282990 /nfs/dbraw/zinc/28/29/90/983282990.db2.gz HJYRLMNRVVFITE-HNNXBMFYSA-N -1 0 348.786 3.510 20 0 EHADRM CCCc1c(C(=O)N2CCC(c3ccco3)CC2)[nH]c(C)c1C(=O)[O-] ZINC001596031366 983303735 /nfs/dbraw/zinc/30/37/35/983303735.db2.gz WRNQDIWYYCMRCS-UHFFFAOYSA-N -1 0 344.411 3.587 20 0 EHADRM CCCc1c(C(=O)N[C@H](C)c2ccccc2C)[nH]c(C)c1C(=O)[O-] ZINC001596045821 983336595 /nfs/dbraw/zinc/33/65/95/983336595.db2.gz QSJMOOYBZADKRY-GFCCVEGCSA-N -1 0 328.412 3.773 20 0 EHADRM CCCc1csc(NC(=O)N[C@H](CC(=O)[O-])c2ccc(C)cc2)n1 ZINC001596082387 983400375 /nfs/dbraw/zinc/40/03/75/983400375.db2.gz MVQGNBIBGTUJFJ-CQSZACIVSA-N -1 0 347.440 3.742 20 0 EHADRM CCCc1ncc(CN[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)o1 ZINC001596089079 983410802 /nfs/dbraw/zinc/41/08/02/983410802.db2.gz UNYZDGZJCKZUGE-CQSZACIVSA-N -1 0 342.317 3.561 20 0 EHADRM CCN(C(=O)[C@H]1Cc2ccc(C)cc2S1)c1ccccc1C(=O)[O-] ZINC001596137552 983486680 /nfs/dbraw/zinc/48/66/80/983486680.db2.gz LZGCUKSRPNOWED-QGZVFWFLSA-N -1 0 341.432 3.763 20 0 EHADRM CCN(C(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1)c1ccccc1C(=O)[O-] ZINC001596138325 983489123 /nfs/dbraw/zinc/48/91/23/983489123.db2.gz RPIJOZXHDCULHY-GHMZBOCLSA-N -1 0 329.318 3.716 20 0 EHADRM CCN(C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)c1cccc2ccccc21 ZINC001596156767 983516589 /nfs/dbraw/zinc/51/65/89/983516589.db2.gz KOFMDKCBWOKDDA-MAUKXSAKSA-N -1 0 341.407 3.605 20 0 EHADRM CCN(C(=O)c1c[nH]c(C(=O)[O-])c1)[C@@H](C)c1cc2ccccc2o1 ZINC001596161307 983524847 /nfs/dbraw/zinc/52/48/47/983524847.db2.gz RIOQTNPFFNLSOO-NSHDSACASA-N -1 0 326.352 3.682 20 0 EHADRM CCN(C(=O)c1cc2c(s1)-c1ccccc1CC2)C(C)(C)C(=O)[O-] ZINC001596165283 983529520 /nfs/dbraw/zinc/52/95/20/983529520.db2.gz PBBXTUGFIBXZCX-UHFFFAOYSA-N -1 0 343.448 3.839 20 0 EHADRM CCN(C(=O)c1cc2c(cccc2Cl)s1)C(C)(C)C(=O)[O-] ZINC001596165289 983529710 /nfs/dbraw/zinc/52/97/10/983529710.db2.gz PIMNPKOQKJRYIX-UHFFFAOYSA-N -1 0 325.817 3.880 20 0 EHADRM CCN(C(=S)NCCCC(=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC001596175110 983542311 /nfs/dbraw/zinc/54/23/11/983542311.db2.gz UKFVQNFFOHQJSW-GFCCVEGCSA-N -1 0 334.441 3.555 20 0 EHADRM CCN(CC)c1ccc(-c2nnc(SCCCCC(=O)[O-])o2)cc1 ZINC001596287130 983705879 /nfs/dbraw/zinc/70/58/79/983705879.db2.gz MYNRXILDUQFZGE-UHFFFAOYSA-N -1 0 349.456 3.930 20 0 EHADRM CCN(CCOc1ccc(C(=O)[O-])cc1Cl)c1ccccc1OC ZINC001596345239 983793417 /nfs/dbraw/zinc/79/34/17/983793417.db2.gz HJOVFZXLYUBINX-UHFFFAOYSA-N -1 0 349.814 3.952 20 0 EHADRM CCN(Cc1cc(C(=O)[O-])c(C)o1)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001596354161 983815354 /nfs/dbraw/zinc/81/53/54/983815354.db2.gz BANYXYHUPJETGP-NSHDSACASA-N -1 0 348.468 3.890 20 0 EHADRM CCN(Cc1nc2c(s1)C[C@H](C)CC2)Cc1ccc(C(=O)[O-])cc1 ZINC001596357434 983828412 /nfs/dbraw/zinc/82/84/12/983828412.db2.gz GYMDLUQPQSPMOT-CYBMUJFWSA-N -1 0 344.480 3.988 20 0 EHADRM CCN(Cc1cccs1)[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001596375128 983882431 /nfs/dbraw/zinc/88/24/31/983882431.db2.gz KAOAVNVIAYXFEC-ZDUSSCGKSA-N -1 0 346.452 3.604 20 0 EHADRM CCN(Cc1nc(C(=O)[O-])cs1)c1cccc(Br)c1 ZINC001596377549 983886413 /nfs/dbraw/zinc/88/64/13/983886413.db2.gz DMUDOXIOBHFSBS-UHFFFAOYSA-N -1 0 341.230 3.630 20 0 EHADRM CCN(Cc1ccoc1)Cc1cc(C(=O)[O-])ccc1Br ZINC001596378003 983891407 /nfs/dbraw/zinc/89/14/07/983891407.db2.gz ISRFKSJNWZZKCC-UHFFFAOYSA-N -1 0 338.201 3.762 20 0 EHADRM C=C/C=C\CC(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001588719945 983964043 /nfs/dbraw/zinc/96/40/43/983964043.db2.gz HQHKBYRKIQVBND-ARJAWSKDSA-N -1 0 325.817 3.978 20 0 EHADRM CCN1CCN(Cc2ccc(C3(C(=O)[O-])CC3)cc2)c2ccccc21 ZINC001596436044 984114555 /nfs/dbraw/zinc/11/45/55/984114555.db2.gz BOLWBKZOLRLHCL-UHFFFAOYSA-N -1 0 336.435 3.649 20 0 EHADRM CC(C)CS(=O)(=O)[N-]C(=O)[C@@H](Sc1ccccc1)C(C)C ZINC000066232152 1015025954 /nfs/dbraw/zinc/02/59/54/1015025954.db2.gz IITVJGBNKDCZBT-AWEZNQCLSA-N -1 0 329.487 3.746 20 0 EHADRM C/C(=C/C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccccc1C ZINC001588938933 984625722 /nfs/dbraw/zinc/62/57/22/984625722.db2.gz IQJGJWMDBMQTRS-ILCZHQDMSA-N -1 0 335.403 3.609 20 0 EHADRM C/C(=C\C(=O)NC[C@@H](C(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC001588939317 984628493 /nfs/dbraw/zinc/62/84/93/984628493.db2.gz VDPGUCIJGDWHQD-JIIJFUIFSA-N -1 0 343.810 3.728 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)Nc1ccc(CCCc2ccccc2)cc1 ZINC001599887416 984653321 /nfs/dbraw/zinc/65/33/21/984653321.db2.gz ILBIJYZQBXBUKL-OAHLLOKOSA-N -1 0 340.423 3.847 20 0 EHADRM C/C(=C\C(=O)[O-])CSc1nc2ccccc2c(=O)n1CCC(C)C ZINC001588951517 984681112 /nfs/dbraw/zinc/68/11/12/984681112.db2.gz ATACPEHNZHKEOF-JLHYYAGUSA-N -1 0 346.452 3.566 20 0 EHADRM C/C(=C\C1CCC(C)CC1)C(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001588956663 984707891 /nfs/dbraw/zinc/70/78/91/984707891.db2.gz XEAYPHJLBAJXFY-IJSIOIKBSA-N -1 0 347.377 3.625 20 0 EHADRM C[C@H]1C[C@@H](N(C)[C@@H](COC2CCC2)C(=O)[O-])c2ccsc2S1 ZINC001599905433 984915753 /nfs/dbraw/zinc/91/57/53/984915753.db2.gz KXQGZMCQEGJZBF-GDLCADMTSA-N -1 0 341.498 3.628 20 0 EHADRM C[C@H](OC(=O)c1cccc(C(=O)[O-])c1)c1cccc(OC(F)F)c1 ZINC001599906630 984931327 /nfs/dbraw/zinc/93/13/27/984931327.db2.gz ONRPNXZVJLIIDW-JTQLQIEISA-N -1 0 336.290 3.904 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)C[C@@H]2CCC[C@H](C(F)(F)F)C2)(C(=O)[O-])CC1 ZINC001599908234 984950153 /nfs/dbraw/zinc/95/01/53/984950153.db2.gz PVGAXWZAFUXGOO-NFFDBFGFSA-N -1 0 349.393 3.895 20 0 EHADRM C/C(=C/c1ccccc1Cl)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001589004126 984961920 /nfs/dbraw/zinc/96/19/20/984961920.db2.gz YERXCTOCFYCCBW-RAXLEYEMSA-N -1 0 335.831 3.895 20 0 EHADRM C/C(=C/c1ccco1)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001589011480 984991076 /nfs/dbraw/zinc/99/10/76/984991076.db2.gz ZZAITWZVRYEPGN-AHKFDXCISA-N -1 0 327.380 3.651 20 0 EHADRM C[C@H]1CN(C(=O)N[C@@H](CC(C)(C)C)c2ccccc2)CC[C@H]1C(=O)[O-] ZINC001599917154 985073652 /nfs/dbraw/zinc/07/36/52/985073652.db2.gz GIBYJVNNCLBGOX-UAGQMJEPSA-N -1 0 346.471 3.916 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cc2F)C[C@]1(C)C(=O)[O-] ZINC001599922183 985149840 /nfs/dbraw/zinc/14/98/40/985149840.db2.gz YZABWDCJKCUOML-WJWGPLDTSA-N -1 0 349.189 3.707 20 0 EHADRM CCO[C@H](C(=O)Nc1sc(CC)cc1C(=O)[O-])c1ccccc1 ZINC001596767450 985179369 /nfs/dbraw/zinc/17/93/69/985179369.db2.gz XGFUWICIZAPAEB-AWEZNQCLSA-N -1 0 333.409 3.725 20 0 EHADRM CCO[C@H]1C[C@H](NC(=O)Nc2cccc(C(=O)[O-])c2)C12CCCCC2 ZINC001596821039 985415491 /nfs/dbraw/zinc/41/54/91/985415491.db2.gz CZJVVYNVBIYOPS-HOTGVXAUSA-N -1 0 346.427 3.634 20 0 EHADRM C[C@]1(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)C[C@@H]1c1ccccc1 ZINC001599937995 985420181 /nfs/dbraw/zinc/42/01/81/985420181.db2.gz TUQODVGTEMTSFC-XLIONFOSSA-N -1 0 339.391 3.672 20 0 EHADRM C[Si](C)(C)CCCC(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC001599940137 985444168 /nfs/dbraw/zinc/44/41/68/985444168.db2.gz OLWCJTJGEDCOIC-UHFFFAOYSA-N -1 0 335.520 3.998 20 0 EHADRM Cc1[nH]c(C(=O)[C@@H](C)N2C[C@H](C)c3ccccc32)c(C)c1C(=O)[O-] ZINC001599942437 985471382 /nfs/dbraw/zinc/47/13/82/985471382.db2.gz JZUMKGJFMNSVTA-GXFFZTMASA-N -1 0 326.396 3.525 20 0 EHADRM CC(=O)N[C@@H](CSCc1ccc(C(C)C)cc1C(C)C)C(=O)[O-] ZINC001589160138 985498517 /nfs/dbraw/zinc/49/85/17/985498517.db2.gz STCIFPROPFQELE-KRWDZBQOSA-N -1 0 337.485 3.756 20 0 EHADRM CC(=O)Nc1c(C)ccc(NCCc2ccccc2C(=O)[O-])c1C ZINC001589165225 985502439 /nfs/dbraw/zinc/50/24/39/985502439.db2.gz ADDRXFDDJSERTB-UHFFFAOYSA-N -1 0 326.396 3.615 20 0 EHADRM CCOC1CC2(C[C@@H]2C(=O)O[C@H]2CCCc3cc(C(=O)[O-])ccc32)C1 ZINC001596851082 985578321 /nfs/dbraw/zinc/57/83/21/985578321.db2.gz ULWXHBQUMBDGCZ-MJOCMJMXSA-N -1 0 344.407 3.511 20 0 EHADRM Cc1[nH]c(C(=O)CSc2cc(F)ccc2F)c(C)c1C(=O)[O-] ZINC001599949675 985586251 /nfs/dbraw/zinc/58/62/51/985586251.db2.gz OERWBIOUOZMQEY-UHFFFAOYSA-N -1 0 325.336 3.583 20 0 EHADRM Cc1[nH]c(C(=O)CSCCCc2ccsc2)c(C)c1C(=O)[O-] ZINC001599949835 985589374 /nfs/dbraw/zinc/58/93/74/985589374.db2.gz XOAWVYWWCNBGIV-UHFFFAOYSA-N -1 0 337.466 3.940 20 0 EHADRM CC(=O)Nc1ccc(N[C@@H](C)c2ccccc2OCC(=O)[O-])cc1C ZINC001589199278 985628363 /nfs/dbraw/zinc/62/83/63/985628363.db2.gz AXNNOCHFUJTNGD-ZDUSSCGKSA-N -1 0 342.395 3.590 20 0 EHADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1CC[C@@H](C)Sc2ccccc21 ZINC001599961212 985784420 /nfs/dbraw/zinc/78/44/20/985784420.db2.gz YBWIKINMRTURRI-LLVKDONJSA-N -1 0 344.436 3.595 20 0 EHADRM CCOCC(C)(C)CNC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001596886710 985794215 /nfs/dbraw/zinc/79/42/15/985794215.db2.gz MXXKTZXVQZIFOQ-UHFFFAOYSA-N -1 0 344.411 3.722 20 0 EHADRM Cc1[nH]c(CNc2ccc(Cl)cc2OC(F)F)cc1C(=O)[O-] ZINC001599962571 985817075 /nfs/dbraw/zinc/81/70/75/985817075.db2.gz ALJVLJRERJGPAE-UHFFFAOYSA-N -1 0 330.718 3.888 20 0 EHADRM C=Cc1ccc(CCNC(=O)CC2(C(=O)[O-])CCCCCC2)cc1 ZINC000460860416 1032111715 /nfs/dbraw/zinc/11/17/15/1032111715.db2.gz QWQMNZGMMXERKL-UHFFFAOYSA-N -1 0 329.440 3.804 20 0 EHADRM CC(=O)c1[nH]c(CC(=O)O[C@H](C)CC2CCCCC2)c(C(=O)[O-])c1C ZINC001589248698 985861162 /nfs/dbraw/zinc/86/11/62/985861162.db2.gz OINOOLQMUGSTTA-LLVKDONJSA-N -1 0 349.427 3.669 20 0 EHADRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N([C@H](C)C(=O)[O-])C1CCC1 ZINC001599966375 985913302 /nfs/dbraw/zinc/91/33/02/985913302.db2.gz PMGYNKQEAPOLKU-SNVBAGLBSA-N -1 0 334.803 3.598 20 0 EHADRM CC(=O)c1ccc(C(=O)O[C@@H](CCCc2ccccc2)C(=O)[O-])s1 ZINC001589279358 986003540 /nfs/dbraw/zinc/00/35/40/986003540.db2.gz PLJSENLNCZFZCJ-AWEZNQCLSA-N -1 0 346.404 3.584 20 0 EHADRM CC(=O)c1cccc(CNc2ncc(C(=O)[O-])cc2C(F)(F)F)c1 ZINC001589309240 986078535 /nfs/dbraw/zinc/07/85/35/986078535.db2.gz LCFWHOCTIRAZBW-UHFFFAOYSA-N -1 0 338.285 3.613 20 0 EHADRM CC(=O)c1cccc(C(F)(F)F)c1OCc1cc(C(=O)[O-])co1 ZINC001589309497 986080187 /nfs/dbraw/zinc/08/01/87/986080187.db2.gz NZLUQJYQYCAJQE-UHFFFAOYSA-N -1 0 328.242 3.778 20 0 EHADRM CC(=O)c1cccc(NC(=O)[C@H](C)Sc2ccc(C(=O)[O-])cc2)c1 ZINC001589311790 986100073 /nfs/dbraw/zinc/10/00/73/986100073.db2.gz XCZZXGOVIXJCRK-LBPRGKRZSA-N -1 0 343.404 3.707 20 0 EHADRM Cc1c2ccccc2oc1C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001599979977 986149973 /nfs/dbraw/zinc/14/99/73/986149973.db2.gz JRQJJDZNWGSADP-CQSZACIVSA-N -1 0 329.396 3.752 20 0 EHADRM Cc1c(F)c(C(F)(F)F)ccc1C(=O)NCC1(C(=O)[O-])CCCC1 ZINC001599980609 986157406 /nfs/dbraw/zinc/15/74/06/986157406.db2.gz ZERIFRZLYMYDDK-UHFFFAOYSA-N -1 0 347.308 3.528 20 0 EHADRM CCOCc1ccc(N[C@@H](C)c2ccccc2OCC(=O)[O-])cc1 ZINC001596966538 986175879 /nfs/dbraw/zinc/17/58/79/986175879.db2.gz WNKOELNETXLJQQ-AWEZNQCLSA-N -1 0 329.396 3.860 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)[C@@H](C)C3CC3)ccc2n1C1CC1 ZINC001599985123 986218313 /nfs/dbraw/zinc/21/83/13/986218313.db2.gz HQMUIMVKPZHJJW-JTQLQIEISA-N -1 0 327.380 3.934 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)C1(C(F)F)CCCC1 ZINC001597008673 986335607 /nfs/dbraw/zinc/33/56/07/986335607.db2.gz AHIOPJGJMGEPNR-UHFFFAOYSA-N -1 0 327.327 3.548 20 0 EHADRM C[C@@H](C(=O)N1CCC[C@@H]2C[C@@]21C(=O)[O-])c1c(Cl)cccc1Cl ZINC001589358999 986353042 /nfs/dbraw/zinc/35/30/42/986353042.db2.gz JLVZBFAZYXZCGR-LYGAQUJYSA-N -1 0 342.222 3.563 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N(C)Cc1ccsc1 ZINC001597014596 986361942 /nfs/dbraw/zinc/36/19/42/986361942.db2.gz HQXRIUJWOSODKO-UHFFFAOYSA-N -1 0 334.397 3.509 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)CCc1cc(F)ccc1F ZINC001597015785 986371950 /nfs/dbraw/zinc/37/19/50/986371950.db2.gz GLAGXXIHAIRWPO-UHFFFAOYSA-N -1 0 349.333 3.633 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@@H](CC)CC1 ZINC001597017118 986391158 /nfs/dbraw/zinc/39/11/58/986391158.db2.gz UDRYUEPYFYOQON-CYBMUJFWSA-N -1 0 334.416 3.828 20 0 EHADRM C[C@@H](C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1)C1CCCC1 ZINC001589368340 986397323 /nfs/dbraw/zinc/39/73/23/986397323.db2.gz FHDNPKJIPMIMKP-OAUYIBNBSA-N -1 0 349.858 3.793 20 0 EHADRM C[C@@H](C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC001589369636 986418890 /nfs/dbraw/zinc/41/88/90/986418890.db2.gz WVGGHNORIFOACY-CKYFFXLPSA-N -1 0 344.238 3.666 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1cccc2c1CCC2 ZINC001597025331 986431119 /nfs/dbraw/zinc/43/11/19/986431119.db2.gz JQBSEJOEPHOIGC-UHFFFAOYSA-N -1 0 325.364 3.525 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-] ZINC001597038479 986485152 /nfs/dbraw/zinc/48/51/52/986485152.db2.gz OWJAVNTUFPZZSS-GUYCJALGSA-N -1 0 339.819 3.502 20 0 EHADRM C[C@@H](C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1)c1ccccc1F ZINC001589401962 986575960 /nfs/dbraw/zinc/57/59/60/986575960.db2.gz ZKCLOXAFBZLJHT-CZUORRHYSA-N -1 0 335.419 3.717 20 0 EHADRM C[C@H]1CSC[C@H]1NC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001594611382 986604910 /nfs/dbraw/zinc/60/49/10/986604910.db2.gz ZXNWQVPZOUIQFF-YVEFUNNKSA-N -1 0 341.432 3.533 20 0 EHADRM C[C@H]1CSCC[N@@H+]([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC001594613580 986620416 /nfs/dbraw/zinc/62/04/16/986620416.db2.gz OSHRSYLXGHTYLW-RNCFNFMXSA-N -1 0 334.268 3.804 20 0 EHADRM CCOc1ccc(C[C@H](C)C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC001597085490 986653891 /nfs/dbraw/zinc/65/38/91/986653891.db2.gz XUKDABIQSYDSOW-ZDUSSCGKSA-N -1 0 327.380 3.601 20 0 EHADRM C[C@H](C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1)c1ccc2ccccc2c1 ZINC001589421906 986660452 /nfs/dbraw/zinc/66/04/52/986660452.db2.gz CHEBHFDFHGROCA-IYOUNJFTSA-N -1 0 325.408 3.703 20 0 EHADRM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21)C(C)(F)F ZINC001589422575 986666004 /nfs/dbraw/zinc/66/60/04/986666004.db2.gz KKYGCLMPKHFICQ-XHDPSFHLSA-N -1 0 335.350 3.763 20 0 EHADRM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21)c1ccccn1 ZINC001589423867 986684048 /nfs/dbraw/zinc/68/40/48/986684048.db2.gz WRKBWPLKSRORGD-AUUYWEPGSA-N -1 0 348.402 3.671 20 0 EHADRM C[C@@H](C(=O)Nc1cc(C(F)(F)F)cnc1C(=O)[O-])c1ccsc1 ZINC001589429174 986707054 /nfs/dbraw/zinc/70/70/54/986707054.db2.gz LIDZZSSQBLEIFD-SSDOTTSWSA-N -1 0 344.314 3.602 20 0 EHADRM CCOc1ccc(COC(=O)c2ccc(C(=O)[O-])cc2)cc1OCC ZINC001597104971 986731776 /nfs/dbraw/zinc/73/17/76/986731776.db2.gz DDFHPLZBFVEOAI-UHFFFAOYSA-N -1 0 344.363 3.539 20 0 EHADRM CCOc1ccc(Cl)c(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)c1 ZINC001597107014 986752431 /nfs/dbraw/zinc/75/24/31/986752431.db2.gz XBFOAIXJADPFFD-VMPITWQZSA-N -1 0 335.743 3.682 20 0 EHADRM C[C@@H](C(=O)Nc1cccc(CCC(=O)[O-])c1)c1c(F)cccc1F ZINC001589439240 986771852 /nfs/dbraw/zinc/77/18/52/986771852.db2.gz GVAUASGPHAVGLA-LLVKDONJSA-N -1 0 333.334 3.724 20 0 EHADRM CCOc1ccc(NC(=O)[C@@H](C)c2ccccc2C)c(C(=O)[O-])c1F ZINC001597112827 986782059 /nfs/dbraw/zinc/78/20/59/986782059.db2.gz OKFAKDXBCSLFDF-LBPRGKRZSA-N -1 0 345.370 3.973 20 0 EHADRM C[C@@H](C(=O)Nc1nc(CCCC(=O)[O-])cs1)[C@@H](C)C(C)(C)C ZINC001589448456 986823138 /nfs/dbraw/zinc/82/31/38/986823138.db2.gz KVHFBIASMUZPOW-GHMZBOCLSA-N -1 0 326.462 3.807 20 0 EHADRM CCOc1ccc(NC(=O)c2cccc(Cl)c2)c(C(=O)[O-])c1F ZINC001597123506 986825117 /nfs/dbraw/zinc/82/51/17/986825117.db2.gz STMVRICXQVJKDN-UHFFFAOYSA-N -1 0 337.734 3.828 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)[C@H]1CC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC001589453373 986860577 /nfs/dbraw/zinc/86/05/77/986860577.db2.gz FWCSJULUVAHFEB-DEQVHRJGSA-N -1 0 343.345 3.543 20 0 EHADRM CCOc1cccc(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)c1 ZINC001597146191 986909168 /nfs/dbraw/zinc/90/91/68/986909168.db2.gz TVESUWNZQTXZQN-UHFFFAOYSA-N -1 0 337.734 3.828 20 0 EHADRM CCOc1ccccc1N(C)Cc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC001597178407 987026449 /nfs/dbraw/zinc/02/64/49/987026449.db2.gz JMGKSPCKBSVDQR-CQSZACIVSA-N -1 0 329.396 3.574 20 0 EHADRM C/C=C\C[C@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])cnc2Cl)C1 ZINC001594685452 987054459 /nfs/dbraw/zinc/05/44/59/987054459.db2.gz BZHLEYSGYANRJL-QUCGXOGASA-N -1 0 337.807 3.643 20 0 EHADRM C/C=C/C[C@H]1CCCN(C(=O)c2[nH]c(C)c(C(=O)[O-])c2CCC)C1 ZINC001594686019 987059493 /nfs/dbraw/zinc/05/94/93/987059493.db2.gz LCNKSZIWJCNLCQ-YVZNUBBCSA-N -1 0 332.444 3.792 20 0 EHADRM CCC(=CC(=O)N[C@H](C[C@H]1CCCc2ccccc21)C(=O)[O-])CC ZINC001594690716 987083295 /nfs/dbraw/zinc/08/32/95/987083295.db2.gz IUCPVCRWMCIQNY-SJLPKXTDSA-N -1 0 329.440 3.812 20 0 EHADRM CC/C(=C\C(=O)Oc1ccc(C(=O)[O-])cc1)c1ccc(OC)cc1 ZINC001594693810 987104596 /nfs/dbraw/zinc/10/45/96/987104596.db2.gz FMLAIVXFRYBVQX-OUKQBFOZSA-N -1 0 326.348 3.792 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)CCc2ccc(F)cc2F)cc1 ZINC001589503278 987106998 /nfs/dbraw/zinc/10/69/98/987106998.db2.gz BLHSMVFSVHFKLV-NSHDSACASA-N -1 0 333.334 3.724 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)Cc2ccccc2OC(F)F)cc1 ZINC001589504013 987111443 /nfs/dbraw/zinc/11/14/43/987111443.db2.gz JFUQZGDFYLACNV-NSHDSACASA-N -1 0 349.333 3.657 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@@H](O)C2CCCCCCC2)cc1 ZINC001589504512 987114329 /nfs/dbraw/zinc/11/43/29/987114329.db2.gz QYUXQLCCRSKIFS-DYVFJYSZSA-N -1 0 333.428 3.535 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CCO[C@H](C(C)(C)C)CC2)cc1 ZINC001589508946 987131452 /nfs/dbraw/zinc/13/14/52/987131452.db2.gz OECVYHSWXXTJGH-CJNGLKHVSA-N -1 0 348.443 3.544 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CC=CC23CCCCC3)cc1 ZINC001589510450 987135717 /nfs/dbraw/zinc/13/57/17/987135717.db2.gz UFFXIQSQCYCURL-CQSZACIVSA-N -1 0 328.412 3.981 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cc1 ZINC001589510780 987136673 /nfs/dbraw/zinc/13/66/73/987136673.db2.gz WDVATFDVCUBFNS-XJFXBBFESA-N -1 0 340.423 3.551 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N[C@@H]2C[C@H]2c2ccsc2)cc1 ZINC001589511373 987138852 /nfs/dbraw/zinc/13/88/52/987138852.db2.gz BGGKOTRGLFNPGQ-NZVBXONLSA-N -1 0 330.409 3.614 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)cc1 ZINC001589511337 987138979 /nfs/dbraw/zinc/13/89/79/987138979.db2.gz ANKZSCAZYHCRBS-MZPVMMEZSA-N -1 0 342.370 3.691 20 0 EHADRM Cc1ccccc1[C@@H](CO)N=c1[n-]nc(-c2ccccc2Cl)s1 ZINC000544846766 1015281221 /nfs/dbraw/zinc/28/12/21/1015281221.db2.gz JHXHKMMKBMJKQV-OAHLLOKOSA-N -1 0 345.855 3.734 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N[C@H]2CSc3ccccc32)cc1 ZINC001589513530 987159741 /nfs/dbraw/zinc/15/97/41/987159741.db2.gz VSUCIORZYRVRCL-ABAIWWIYSA-N -1 0 342.420 3.843 20 0 EHADRM CCC(=O)c1ccc(Cl)c(NC(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC001594716750 987189897 /nfs/dbraw/zinc/18/98/97/987189897.db2.gz CRVRZFVIRQBGGL-UHFFFAOYSA-N -1 0 335.743 3.785 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)Cc2c[nH]c3ccc(F)cc23)c1 ZINC001589533347 987225235 /nfs/dbraw/zinc/22/52/35/987225235.db2.gz MKKBVXPXUGUPES-NSHDSACASA-N -1 0 340.354 3.676 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)Nc2cccc3nsnc32)c1 ZINC001589534229 987230132 /nfs/dbraw/zinc/23/01/32/987230132.db2.gz WSPODMUJMVLRTK-VIFPVBQESA-N -1 0 342.380 3.523 20 0 EHADRM CC[C@@H](C(=O)N(CCC(F)(F)F)CC(=O)[O-])C1CCC(C)CC1 ZINC001594729353 987241566 /nfs/dbraw/zinc/24/15/66/987241566.db2.gz HALSQLYJVRNSOB-WXRRBKDZSA-N -1 0 337.382 3.705 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NCc2ccccc2OCCCCO)c1 ZINC001589540400 987243375 /nfs/dbraw/zinc/24/33/75/987243375.db2.gz XEGUUMLTTMXZKA-OAHLLOKOSA-N -1 0 343.423 3.638 20 0 EHADRM C[C@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC001589540849 987248634 /nfs/dbraw/zinc/24/86/34/987248634.db2.gz SIEVBOAYZUZCDS-BJOHPYRUSA-N -1 0 338.281 3.577 20 0 EHADRM CC[C@@H](C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)c1ccc(OC)cc1 ZINC001594734974 987265468 /nfs/dbraw/zinc/26/54/68/987265468.db2.gz GEDDDOPRGBVHCB-CYBMUJFWSA-N -1 0 349.333 3.804 20 0 EHADRM CC(C(=O)Oc1cc(Br)cc(C(=O)[O-])c1)=C1CCC1 ZINC001589547885 987272238 /nfs/dbraw/zinc/27/22/38/987272238.db2.gz UQQDATRBLMYIAC-UHFFFAOYSA-N -1 0 325.158 3.553 20 0 EHADRM CC[C@H](C(=O)Nc1cccc(OCC(=O)[O-])c1)C1CCC(C)CC1 ZINC001594736263 987276258 /nfs/dbraw/zinc/27/62/58/987276258.db2.gz WPACLACOCMGXNC-KVULBXGLSA-N -1 0 333.428 3.941 20 0 EHADRM CCSCc1ccccc1C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC001597267231 987301651 /nfs/dbraw/zinc/30/16/51/987301651.db2.gz HQDMOVUZXRKCFX-UHFFFAOYSA-N -1 0 330.405 3.786 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001597273742 987330923 /nfs/dbraw/zinc/33/09/23/987330923.db2.gz ZXYBRPCIQZESSJ-UHFFFAOYSA-N -1 0 336.800 3.798 20 0 EHADRM CC[C@@H]1CC[C@H](C)N(C(=O)Nc2cc(COC)cc(C(=O)[O-])c2)C1 ZINC001597296222 987395127 /nfs/dbraw/zinc/39/51/27/987395127.db2.gz HPTDBWWDHMGZQP-QWHCGFSZSA-N -1 0 334.416 3.574 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cccc(C(F)F)c2F)C1 ZINC001589611989 987471228 /nfs/dbraw/zinc/47/12/28/987471228.db2.gz NPDJQMDAOBRKLK-SNVBAGLBSA-N -1 0 343.345 3.726 20 0 EHADRM CCc1[nH]c(C(=O)NCc2cc(C3CC3)ccc2F)c(C)c1C(=O)[O-] ZINC001597369505 987554844 /nfs/dbraw/zinc/55/48/44/987554844.db2.gz XZIFARPHLSHBIC-UHFFFAOYSA-N -1 0 344.386 3.530 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N2CC[C@H](C3CCC3)C2)cc1 ZINC001589636522 987555224 /nfs/dbraw/zinc/55/52/24/987555224.db2.gz XMFZNGRPDCAJGD-AWEZNQCLSA-N -1 0 330.428 3.703 20 0 EHADRM CCc1[nH]c(CN2C[C@H]3CCCCN3c3ccccc32)cc1C(=O)[O-] ZINC001597384971 987591824 /nfs/dbraw/zinc/59/18/24/987591824.db2.gz PCOVZAFLDMEPKS-OAHLLOKOSA-N -1 0 339.439 3.654 20 0 EHADRM CCc1[nH]c(C(=O)N[C@@H](C)c2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC001597385776 987598176 /nfs/dbraw/zinc/59/81/76/987598176.db2.gz QKXZVSTWMRXXJC-JTQLQIEISA-N -1 0 334.803 3.728 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)[C@H]2Cc3ccccc3S2)c1 ZINC001589650614 987598913 /nfs/dbraw/zinc/59/89/13/987598913.db2.gz LSSBRLCMSNIEKL-MRXNPFEDSA-N -1 0 342.416 3.671 20 0 EHADRM CCc1[nH]c(C[N@@H+](Cc2ccc(F)cc2)CC2CC2)cc1C(=O)[O-] ZINC001597385946 987598987 /nfs/dbraw/zinc/59/89/87/987598987.db2.gz YSACHSGCETYYLZ-UHFFFAOYSA-N -1 0 330.403 3.827 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)c2nsc3ccccc32)c1 ZINC001589651393 987603174 /nfs/dbraw/zinc/60/31/74/987603174.db2.gz ZUZLGTFOMGYJBO-UHFFFAOYSA-N -1 0 341.388 3.878 20 0 EHADRM CCc1[nH]c(C(=O)N[C@@H](C)c2ccccc2Cl)c(C)c1C(=O)[O-] ZINC001597386667 987606452 /nfs/dbraw/zinc/60/64/52/987606452.db2.gz ZTUMCEBNBMBDJE-JTQLQIEISA-N -1 0 334.803 3.728 20 0 EHADRM CCc1c2ccccc2oc1C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC001597405939 987678108 /nfs/dbraw/zinc/67/81/08/987678108.db2.gz ISKREHSNJJZPAD-SFHVURJKSA-N -1 0 349.386 3.819 20 0 EHADRM CCc1c(C(=O)Nc2scc(C)c2C(=O)[O-])cnn1CCC(C)C ZINC001597413003 987709233 /nfs/dbraw/zinc/70/92/33/987709233.db2.gz UYKZBLOVWDJYSK-UHFFFAOYSA-N -1 0 349.456 3.812 20 0 EHADRM CCc1cc(C(=O)NC2(C(=O)[O-])CCC2)sc1-c1ccccc1 ZINC001597429828 987768084 /nfs/dbraw/zinc/76/80/84/987768084.db2.gz UABXBHNATYZUMP-UHFFFAOYSA-N -1 0 329.421 3.715 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)Nc1cccc(COCC2CC2)c1 ZINC001589702273 987797532 /nfs/dbraw/zinc/79/75/32/987797532.db2.gz AGBMCBYJCJNRCE-MRXNPFEDSA-N -1 0 348.443 3.624 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)c1cc2c(cccc2C2CC2)[nH]1 ZINC001589704527 987812499 /nfs/dbraw/zinc/81/24/99/987812499.db2.gz MUXMGZJNUYJECV-MRXNPFEDSA-N -1 0 328.412 3.665 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2cccc(OC(C)(C)C)n2)s1 ZINC001597444851 987815129 /nfs/dbraw/zinc/81/51/29/987815129.db2.gz CKDMICGQKJJYTQ-UHFFFAOYSA-N -1 0 348.424 3.833 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)Cc1c[nH]c2ccc(F)cc12 ZINC001597452203 987846554 /nfs/dbraw/zinc/84/65/54/987846554.db2.gz NICGWEAUMOQBOJ-UHFFFAOYSA-N -1 0 340.354 3.749 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cnc(-c2ccco2)s1 ZINC001597463336 987891533 /nfs/dbraw/zinc/89/15/33/987891533.db2.gz AKSRLVVDKMAYJC-UHFFFAOYSA-N -1 0 342.376 3.916 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1coc(-c2ccccc2)n1 ZINC001597465407 987904436 /nfs/dbraw/zinc/90/44/36/987904436.db2.gz FWIGIKGLWNCREO-UHFFFAOYSA-N -1 0 336.347 3.855 20 0 EHADRM CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001589728313 987930234 /nfs/dbraw/zinc/93/02/34/987930234.db2.gz IQQMJDLKSKCKME-FTJFNGAWSA-N -1 0 333.428 3.960 20 0 EHADRM CC(C)(C)[C@@H]1CCC[C@@H](NS(=O)(=O)CCCCCC(=O)[O-])CC1 ZINC001589728495 987933826 /nfs/dbraw/zinc/93/38/26/987933826.db2.gz MROBAAMQKYASOL-HUUCEWRRSA-N -1 0 347.521 3.546 20 0 EHADRM CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)N1CCC(CC(=O)[O-])CC1 ZINC001589729125 987939923 /nfs/dbraw/zinc/93/99/23/987939923.db2.gz SWGJPYYAOMGOKV-HOTGVXAUSA-N -1 0 338.492 3.735 20 0 EHADRM CS[C@@H](CNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)C(C)(C)C ZINC001599787871 987954271 /nfs/dbraw/zinc/95/42/71/987954271.db2.gz YLQGWLTWUJMOLE-LBPRGKRZSA-N -1 0 346.399 3.562 20 0 EHADRM CC(C)(C)[C@@H]1CCN1C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001589732537 987963207 /nfs/dbraw/zinc/96/32/07/987963207.db2.gz SQOWMTJDOHPMIW-GJZGRUSLSA-N -1 0 332.444 3.669 20 0 EHADRM CC(C)(C)[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)CCO1 ZINC001589733899 987975042 /nfs/dbraw/zinc/97/50/42/987975042.db2.gz ASCZJPIHWJINCK-UONOGXRCSA-N -1 0 345.361 3.578 20 0 EHADRM CCc1ccc(-c2csc(NC(=O)c3ccc(C(=O)[O-])o3)n2)s1 ZINC001597491796 988020149 /nfs/dbraw/zinc/02/01/49/988020149.db2.gz CNDWMXUVGVSHRN-UHFFFAOYSA-N -1 0 348.405 3.978 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N3CCCCC[C@H]3C(=O)[O-])o2)cc1 ZINC001597492354 988028122 /nfs/dbraw/zinc/02/81/22/988028122.db2.gz NGUYGEFNVNAJFC-INIZCTEOSA-N -1 0 341.407 3.978 20 0 EHADRM CSCC1(CCNC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)CC1 ZINC001599792489 988034356 /nfs/dbraw/zinc/03/43/56/988034356.db2.gz RMYQTPOULPXHBQ-UHFFFAOYSA-N -1 0 347.440 3.521 20 0 EHADRM CCc1ccc(C(=O)CCC(=O)O[C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC001597498449 988046007 /nfs/dbraw/zinc/04/60/07/988046007.db2.gz CFIRRWVGESCZID-QGZVFWFLSA-N -1 0 346.404 3.643 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)c1cc(C(=O)[O-])ccn1)c1ccc(F)cc1 ZINC001589751493 988052346 /nfs/dbraw/zinc/05/23/46/988052346.db2.gz OPKPYVXCCOUHMU-INIZCTEOSA-N -1 0 344.386 3.826 20 0 EHADRM CCc1ccc(C(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1CC ZINC001597500984 988061866 /nfs/dbraw/zinc/06/18/66/988061866.db2.gz IEQFFVVPZONLAC-LJQANCHMSA-N -1 0 339.435 3.718 20 0 EHADRM CCc1ccc(C(=O)[O-])c(OC(=O)OCc2cccc(OC)c2)c1 ZINC001597506942 988079388 /nfs/dbraw/zinc/07/93/88/988079388.db2.gz OIGWDAYGRHDNEO-UHFFFAOYSA-N -1 0 330.336 3.671 20 0 EHADRM CC(C)(C)C[C@H]1CCN(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)C1(C)C ZINC001589764638 988104961 /nfs/dbraw/zinc/10/49/61/988104961.db2.gz QMFNDXNMLNDSOW-HUUCEWRRSA-N -1 0 338.492 3.734 20 0 EHADRM CSCC[C@H](OC(=O)c1ccc2c(c1)oc1ccccc12)C(=O)[O-] ZINC001599797635 988123617 /nfs/dbraw/zinc/12/36/17/988123617.db2.gz DAXHDKLNQRYNKW-HNNXBMFYSA-N -1 0 344.388 3.949 20 0 EHADRM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2csc(C(=O)[O-])n2)o1 ZINC001597516240 988126530 /nfs/dbraw/zinc/12/65/30/988126530.db2.gz BSIDVEMETWTMDD-GWCFXTLKSA-N -1 0 348.424 3.610 20 0 EHADRM CCc1ccc([C@@H]2CCN(C(=O)c3[nH]c(C)c(C(=O)[O-])c3C)C2)cc1 ZINC001597517807 988135337 /nfs/dbraw/zinc/13/53/37/988135337.db2.gz PRZWUFIULYNALI-MRXNPFEDSA-N -1 0 340.423 3.522 20 0 EHADRM CCc1ccc([C@@H]2CCN(C(=O)c3cc(C)cc(C(=O)[O-])c3)C2)cc1 ZINC001597518561 988138222 /nfs/dbraw/zinc/13/82/22/988138222.db2.gz WANYNMNOKQOWCX-QGZVFWFLSA-N -1 0 337.419 3.885 20 0 EHADRM CCc1ccc(CN(C(=O)Nc2cc(C(=O)[O-])ccn2)C2CC2)cc1 ZINC001597524727 988162911 /nfs/dbraw/zinc/16/29/11/988162911.db2.gz IXPGKTGLMJIBEE-UHFFFAOYSA-N -1 0 339.395 3.539 20 0 EHADRM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001589784365 988164509 /nfs/dbraw/zinc/16/45/09/988164509.db2.gz RMXKDLXFKWQXPZ-MISXGVKJSA-N -1 0 341.810 3.793 20 0 EHADRM CCc1ccc(CCNC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC001597524766 988164634 /nfs/dbraw/zinc/16/46/34/988164634.db2.gz LZRFRVHOOATNRM-UHFFFAOYSA-N -1 0 340.423 3.928 20 0 EHADRM CCc1ccc(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)cc1C ZINC001597544618 988242553 /nfs/dbraw/zinc/24/25/53/988242553.db2.gz GVOZGUHQPXNYAL-UHFFFAOYSA-N -1 0 336.391 3.849 20 0 EHADRM CCc1ccc(NC(=O)N(CC)CCC(F)(F)F)c(C(=O)[O-])c1 ZINC001597545639 988248692 /nfs/dbraw/zinc/24/86/92/988248692.db2.gz ZTVDDJUPELZUFR-UHFFFAOYSA-N -1 0 332.322 3.753 20 0 EHADRM CCc1ccc(NC(=O)NCc2cc(C)c(C(=O)[O-])o2)cc1Cl ZINC001597547428 988259275 /nfs/dbraw/zinc/25/92/75/988259275.db2.gz ZFPRQGGWTBHDFU-UHFFFAOYSA-N -1 0 336.775 3.824 20 0 EHADRM CSc1c(F)cccc1C(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1 ZINC001599806223 988260537 /nfs/dbraw/zinc/26/05/37/988260537.db2.gz QRBKFJUWQZRMTD-HNNXBMFYSA-N -1 0 347.411 3.802 20 0 EHADRM CCc1ccc(NC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1Cl ZINC001597548129 988263574 /nfs/dbraw/zinc/26/35/74/988263574.db2.gz STCAQKLDKHFXQL-ZDUSSCGKSA-N -1 0 336.819 3.621 20 0 EHADRM CSc1cc(F)ccc1NCc1cc(C(=O)[O-])c2n1CCCC2 ZINC001599808242 988291278 /nfs/dbraw/zinc/29/12/78/988291278.db2.gz AWTPXQHTEVSUJN-UHFFFAOYSA-N -1 0 334.416 3.996 20 0 EHADRM CC(C)(C)NC(=O)c1cccc(NCCc2ccccc2C(=O)[O-])c1 ZINC001589830933 988302040 /nfs/dbraw/zinc/30/20/40/988302040.db2.gz ZQFPYRYDWSRYDP-UHFFFAOYSA-N -1 0 340.423 3.568 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)NC1(CC(=O)[O-])CCCC1 ZINC001599809180 988304240 /nfs/dbraw/zinc/30/42/40/988304240.db2.gz WGXWXAKYLZRNIC-UHFFFAOYSA-N -1 0 342.848 3.971 20 0 EHADRM CSc1ccc(-c2noc(-c3ccc(C(=O)[O-])[nH]3)n2)c(Cl)c1 ZINC001599809589 988310747 /nfs/dbraw/zinc/31/07/47/988310747.db2.gz JRHVKZDFXZPANL-UHFFFAOYSA-N -1 0 335.772 3.805 20 0 EHADRM CCc1ccc([C@H](C)NC(=O)Nc2ccc(C(=O)[O-])cc2OC)cc1 ZINC001597563600 988317042 /nfs/dbraw/zinc/31/70/42/988317042.db2.gz PPNLLZDQFZDCHB-LBPRGKRZSA-N -1 0 342.395 3.839 20 0 EHADRM CCc1ccc2c(c1)CN(C(=O)Nc1ccc(C(=O)[O-])c(C)c1)CC2 ZINC001597568788 988328376 /nfs/dbraw/zinc/32/83/76/988328376.db2.gz IIFPCSUMFULMTH-UHFFFAOYSA-N -1 0 338.407 3.846 20 0 EHADRM CSc1ccc(/C=C\C(=O)Nc2ccc(CC(=O)[O-])cc2)s1 ZINC001599812917 988369639 /nfs/dbraw/zinc/36/96/39/988369639.db2.gz RUSFXCSWGAFPRQ-VURMDHGXSA-N -1 0 333.434 3.749 20 0 EHADRM CSc1ccc(CCCC(=O)N2[C@@H](C)CC(C(=O)[O-])C[C@@H]2C)cc1 ZINC001599812948 988370089 /nfs/dbraw/zinc/37/00/89/988370089.db2.gz PLQNYBLVAPJCNI-KBPBESRZSA-N -1 0 349.496 3.831 20 0 EHADRM CSc1ccc(C)c(NC(=O)Nc2ccc(CC(=O)[O-])cc2)c1 ZINC001599813236 988375042 /nfs/dbraw/zinc/37/50/42/988375042.db2.gz VDEAFUZKGGGEHA-UHFFFAOYSA-N -1 0 330.409 3.988 20 0 EHADRM CCc1cccc(CC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c1 ZINC001597581115 988384846 /nfs/dbraw/zinc/38/48/46/988384846.db2.gz NZHBADLHFBFSNJ-IBGZPJMESA-N -1 0 339.435 3.760 20 0 EHADRM CSc1ccc(Cl)c(NC(=O)Nc2cc(C(=O)[O-])n(C)c2)c1 ZINC001599814724 988401297 /nfs/dbraw/zinc/40/12/97/988401297.db2.gz PTYVDKSKADCTBL-UHFFFAOYSA-N -1 0 339.804 3.743 20 0 EHADRM CSc1ccc(NC(=O)[C@H](C)c2cccc(O)c2)cc1C(=O)[O-] ZINC001599815753 988420131 /nfs/dbraw/zinc/42/01/31/988420131.db2.gz GZFHOGCHSNNKHL-SNVBAGLBSA-N -1 0 331.393 3.555 20 0 EHADRM CSc1ccc(NC(=O)[C@@H](C)SCC(C)(C)C(=O)[O-])cc1 ZINC001599816436 988434021 /nfs/dbraw/zinc/43/40/21/988434021.db2.gz WSUTYUQINJBQAP-SNVBAGLBSA-N -1 0 327.471 3.580 20 0 EHADRM CSc1ccc(NC(=O)N2CCC[C@](C)(C(=O)[O-])C2)cc1Cl ZINC001599816513 988435054 /nfs/dbraw/zinc/43/50/54/988435054.db2.gz GXEUYDGEWDRULR-HNNXBMFYSA-N -1 0 342.848 3.781 20 0 EHADRM CSc1ccc(NC(=O)c2ccc(C(C)C)[nH]c2=O)cc1C(=O)[O-] ZINC001599816880 988441797 /nfs/dbraw/zinc/44/17/97/988441797.db2.gz DHFRBDIIMCTVEX-UHFFFAOYSA-N -1 0 346.408 3.583 20 0 EHADRM CSc1ccc(NC(=O)N[C@@H](C2CC2)C(F)(F)F)cc1C(=O)[O-] ZINC001599818352 988467954 /nfs/dbraw/zinc/46/79/54/988467954.db2.gz RLVLYQPGBQZPJX-NSHDSACASA-N -1 0 348.346 3.569 20 0 EHADRM CSc1ccc(NC(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])cc1 ZINC001599818715 988473949 /nfs/dbraw/zinc/47/39/49/988473949.db2.gz KORGYBPVLRIAPL-CYBMUJFWSA-N -1 0 336.457 3.811 20 0 EHADRM CSc1ccc([C@@H](C)NC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001599821373 988519305 /nfs/dbraw/zinc/51/93/05/988519305.db2.gz YEQXGFQLFGXQTF-SNVBAGLBSA-N -1 0 333.384 3.737 20 0 EHADRM CCc1ccccc1NC(=O)COc1ccc(C(=O)[O-])c(Cl)c1 ZINC001597615261 988532563 /nfs/dbraw/zinc/53/25/63/988532563.db2.gz ZFLRWBKUPHJCPX-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM CCc1ccccc1OCCC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC001597616153 988536196 /nfs/dbraw/zinc/53/61/96/988536196.db2.gz HEWXKJSNIWQMRU-AWEZNQCLSA-N -1 0 341.407 3.845 20 0 EHADRM CCc1ccccc1OCCC(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC001597616167 988536712 /nfs/dbraw/zinc/53/67/12/988536712.db2.gz HJFYGBMZSDCRIF-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM CSc1cccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)c1 ZINC001599822759 988542857 /nfs/dbraw/zinc/54/28/57/988542857.db2.gz WBGJIXJLCISCTD-HRCADAONSA-N -1 0 333.453 3.514 20 0 EHADRM CSc1cccc(F)c1C(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001599823666 988558787 /nfs/dbraw/zinc/55/87/87/988558787.db2.gz GUDQRTPCTSLAJO-UHFFFAOYSA-N -1 0 341.310 3.776 20 0 EHADRM CSc1ccccc1CN(C)Cn1nc(C(=O)[O-])c2ccccc21 ZINC001599824339 988571317 /nfs/dbraw/zinc/57/13/17/988571317.db2.gz YQWLRSBZDPEZLL-UHFFFAOYSA-N -1 0 341.436 3.546 20 0 EHADRM CSc1cccc(F)c1CNC(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001599824427 988572780 /nfs/dbraw/zinc/57/27/80/988572780.db2.gz XBZGPMRMVNNTKP-UHFFFAOYSA-N -1 0 348.399 3.876 20 0 EHADRM CSc1cccc(NC(=O)CNc2cc(C(=O)[O-])c(C)cc2C)c1 ZINC001599824585 988575048 /nfs/dbraw/zinc/57/50/48/988575048.db2.gz FTPLZXSIHPBLSY-UHFFFAOYSA-N -1 0 344.436 3.774 20 0 EHADRM CSc1cccc(NC(=O)N(C)c2ccc(OCC(=O)[O-])cc2)c1 ZINC001599824830 988580738 /nfs/dbraw/zinc/58/07/38/988580738.db2.gz RWFFJAZYXBXODQ-UHFFFAOYSA-N -1 0 346.408 3.540 20 0 EHADRM CSc1ccsc1C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC001599826660 988608781 /nfs/dbraw/zinc/60/87/81/988608781.db2.gz SCDFRQUOEUGFEF-NSHDSACASA-N -1 0 333.434 3.689 20 0 EHADRM CCc1nc(C(C)C)ccc1C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC001597651974 988695692 /nfs/dbraw/zinc/69/56/92/988695692.db2.gz FQDWSYQMHHRNQP-UHFFFAOYSA-N -1 0 338.407 3.669 20 0 EHADRM CCc1nc(CC(=O)O[C@@H]2CCCc3cc(C(=O)[O-])ccc32)cs1 ZINC001597663347 988742084 /nfs/dbraw/zinc/74/20/84/988742084.db2.gz WSHJLXSCUWCNIR-OAHLLOKOSA-N -1 0 345.420 3.567 20 0 EHADRM C[C@@H](NC(=O)NC1CC(CC(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC001599839965 988809410 /nfs/dbraw/zinc/80/94/10/988809410.db2.gz OJSOGHVFSQKGIS-FKTRJACZSA-N -1 0 345.226 3.607 20 0 EHADRM CCc1nc(NC(=O)c2cc3ccccc3cc2O)sc1C(=O)[O-] ZINC001597681512 988814236 /nfs/dbraw/zinc/81/42/36/988814236.db2.gz FUGUWXUJIQENPR-UHFFFAOYSA-N -1 0 342.376 3.515 20 0 EHADRM C[C@@H](NC(=O)c1cc(F)cc(C(=O)[O-])c1)c1ccc(F)cc1Cl ZINC001599840617 988821185 /nfs/dbraw/zinc/82/11/85/988821185.db2.gz WLZKBAMDSIIMCI-MRVPVSSYSA-N -1 0 339.725 3.807 20 0 EHADRM CCc1nc(NC(=O)c2ccc(OC3CCC3)cc2)sc1C(=O)[O-] ZINC001597684950 988824288 /nfs/dbraw/zinc/82/42/88/988824288.db2.gz FJXCTUGLBJVBCK-UHFFFAOYSA-N -1 0 346.408 3.587 20 0 EHADRM CCc1nc(SCc2cccc(C(=O)[O-])c2Cl)[nH]c(=O)c1C ZINC001597690155 988864991 /nfs/dbraw/zinc/86/49/91/988864991.db2.gz RFLQYGQJGQVVDO-UHFFFAOYSA-N -1 0 338.816 3.697 20 0 EHADRM CCc1nc2ccccc2c(C(=O)NCC(CC)(CC)C(=O)[O-])c1C ZINC001597691086 988878003 /nfs/dbraw/zinc/87/80/03/988878003.db2.gz KZEVAQDXECIALN-UHFFFAOYSA-N -1 0 342.439 3.726 20 0 EHADRM CCc1nc2ccc(NC(=O)N[C@H]3CC[C@@H](CC(=O)[O-])C3)cc2s1 ZINC001597691921 988889372 /nfs/dbraw/zinc/88/93/72/988889372.db2.gz VQKNQZFKBVMLCY-MNOVXSKESA-N -1 0 347.440 3.624 20 0 EHADRM CCc1noc(C)c1C(=O)Nc1cc(C(=O)[O-])cc(Cl)c1Cl ZINC001597741893 989102468 /nfs/dbraw/zinc/10/24/68/989102468.db2.gz GJQHTZYRYASBIY-UHFFFAOYSA-N -1 0 343.166 3.803 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1ccc(-n2ccc(C)n2)cc1 ZINC001597767166 989217333 /nfs/dbraw/zinc/21/73/33/989217333.db2.gz DQIQQFREDIXXGP-UHFFFAOYSA-N -1 0 325.368 3.646 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)C1(C(F)(F)F)CCCC1 ZINC001597767716 989224851 /nfs/dbraw/zinc/22/48/51/989224851.db2.gz FGCRUOMVQCQDNN-UHFFFAOYSA-N -1 0 334.290 3.706 20 0 EHADRM CCc1oc(CN2CCc3[nH]c4ccc(C)cc4c3C2)cc1C(=O)[O-] ZINC001597799042 989375701 /nfs/dbraw/zinc/37/57/01/989375701.db2.gz LDCYSNMHIDWSSE-UHFFFAOYSA-N -1 0 338.407 3.888 20 0 EHADRM CCc1oc2ccccc2c1C(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001597807564 989419553 /nfs/dbraw/zinc/41/95/53/989419553.db2.gz CBVNABPBLGJVIQ-UHFFFAOYSA-N -1 0 349.386 3.892 20 0 EHADRM CCc1oc2ccccc2c1C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001597807944 989422517 /nfs/dbraw/zinc/42/25/17/989422517.db2.gz NRSWFUNQAFPWCM-UHFFFAOYSA-N -1 0 344.754 3.994 20 0 EHADRM C[C@H](C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1)c1ccccc1 ZINC001599885072 989541174 /nfs/dbraw/zinc/54/11/74/989541174.db2.gz BZDSETBAAPMWFR-JTQLQIEISA-N -1 0 341.392 3.579 20 0 EHADRM CC(C)(C)OC(=O)Nc1cccc(CNc2ccc(C(=O)[O-])cn2)c1 ZINC001590319228 989753556 /nfs/dbraw/zinc/75/35/56/989753556.db2.gz XTBKVNKDNXBHLX-UHFFFAOYSA-N -1 0 343.383 3.739 20 0 EHADRM CC(C)(C)OC1CCC(Nc2ncc(C(=O)[O-])cc2Cl)CC1 ZINC001590379306 989886966 /nfs/dbraw/zinc/88/69/66/989886966.db2.gz PBPYXNBDLXMDBE-UHFFFAOYSA-N -1 0 326.824 3.971 20 0 EHADRM CC(C)(C)OCCCC(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC001590381596 989895591 /nfs/dbraw/zinc/89/55/91/989895591.db2.gz FCSPPSRSIHHKCB-UHFFFAOYSA-N -1 0 325.430 3.858 20 0 EHADRM CC(C)(C)OCCCC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001590382078 989897504 /nfs/dbraw/zinc/89/75/04/989897504.db2.gz KQNKIQFDLWRZTR-INIZCTEOSA-N -1 0 335.444 3.550 20 0 EHADRM CC(C)(C)OCCCC(=O)OCc1cc(C(=O)[O-])ccc1Cl ZINC001590383115 989903015 /nfs/dbraw/zinc/90/30/15/989903015.db2.gz YGGKTNDQIGCHSL-UHFFFAOYSA-N -1 0 328.792 3.677 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)Cc2ccccc2C(=O)[O-])c1 ZINC001590399095 989933161 /nfs/dbraw/zinc/93/31/61/989933161.db2.gz UQLYCJYCASSAIR-UHFFFAOYSA-N -1 0 341.407 3.881 20 0 EHADRM CC(C)(C)Oc1ccccc1CNCc1ccc(C(=O)[O-])cc1F ZINC001590419876 989961865 /nfs/dbraw/zinc/96/18/65/989961865.db2.gz JVWNZEZEULPLGD-UHFFFAOYSA-N -1 0 331.387 3.991 20 0 EHADRM CC(C)(C)Oc1cccc(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)c1 ZINC001590419910 989962086 /nfs/dbraw/zinc/96/20/86/989962086.db2.gz LJNRCOQLYGWCHK-CSKARUKUSA-N -1 0 329.352 3.807 20 0 EHADRM CC(C)(C)Sc1cc(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)ccn1 ZINC001590429999 989990224 /nfs/dbraw/zinc/99/02/24/989990224.db2.gz VUMZHSOXOXONLE-GFCCVEGCSA-N -1 0 338.473 3.591 20 0 EHADRM CC(C)(C)[C@H](NC(=O)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F)C(=O)[O-] ZINC001590435558 989998215 /nfs/dbraw/zinc/99/82/15/989998215.db2.gz QGZJSXJFMOFFKU-MPKXVKKWSA-N -1 0 341.810 3.588 20 0 EHADRM CC(C)(C)c1cc2cccnc2c(NC(=O)c2ccnc(C(=O)[O-])c2)c1 ZINC001590461617 990030389 /nfs/dbraw/zinc/03/03/89/990030389.db2.gz FYUZIPQLUVDLSF-UHFFFAOYSA-N -1 0 349.390 3.878 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2CCCSC2)cc1 ZINC001590481472 990072389 /nfs/dbraw/zinc/07/23/89/990072389.db2.gz DDDCULACHINXIX-HOCLYGCPSA-N -1 0 349.496 3.759 20 0 EHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)CCC(F)F)cc1 ZINC001590481760 990077020 /nfs/dbraw/zinc/07/70/20/990077020.db2.gz SIGRUKRAMGRJBW-CYBMUJFWSA-N -1 0 327.371 3.661 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)NC2CCC(C(=O)[O-])CC2)cc1F ZINC001590494558 990102575 /nfs/dbraw/zinc/10/25/75/990102575.db2.gz WOMNTPVUZDQNIS-UHFFFAOYSA-N -1 0 336.407 3.888 20 0 EHADRM CC(C)(C)c1cccc(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)c1 ZINC001590498829 990110316 /nfs/dbraw/zinc/11/03/16/990110316.db2.gz KFOQHVGAOGCKOI-UHFFFAOYSA-N -1 0 337.379 3.811 20 0 EHADRM CC(C)(C)c1ccc2[nH]c(C(=O)NC[C@H](CC3CC3)C(=O)[O-])cc2c1 ZINC001590501044 990116532 /nfs/dbraw/zinc/11/65/32/990116532.db2.gz QCPBKJUMLJSGPT-AWEZNQCLSA-N -1 0 342.439 3.696 20 0 EHADRM CC(C)(C)c1csc(-c2cccc(OC(=O)C3(C(=O)[O-])CC3)c2)n1 ZINC001590527078 990139387 /nfs/dbraw/zinc/13/93/87/990139387.db2.gz QUIRSMFUKCADRC-UHFFFAOYSA-N -1 0 345.420 3.878 20 0 EHADRM CN(C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1c(Cl)cccc1Cl ZINC001598004163 990148554 /nfs/dbraw/zinc/14/85/54/990148554.db2.gz NSTYVQCJIKXANX-UWVGGRQHSA-N -1 0 330.211 3.847 20 0 EHADRM CC(C)(C)c1ncc(/C=C/C(=O)Nc2cccc(F)c2C(=O)[O-])s1 ZINC001590555836 990192613 /nfs/dbraw/zinc/19/26/13/990192613.db2.gz AVCARTXLNJAAKM-BQYQJAHWSA-N -1 0 348.399 3.930 20 0 EHADRM CC(C)(C)n1ccc(C(=O)N(c2ccccc2C(=O)[O-])C2CCC2)n1 ZINC001590593377 990244865 /nfs/dbraw/zinc/24/48/65/990244865.db2.gz GGPLFDLGEICAPL-UHFFFAOYSA-N -1 0 341.411 3.536 20 0 EHADRM CC(C)(/C=C\Cl)NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001590615448 990290162 /nfs/dbraw/zinc/29/01/62/990290162.db2.gz VEKZUXCWMFXLLI-BSYHEUMXSA-N -1 0 338.835 3.669 20 0 EHADRM CC(C)(c1noc(-c2cccc(OCC(=O)[O-])c2)n1)C1=CCCCC1 ZINC001590615528 990291008 /nfs/dbraw/zinc/29/10/08/990291008.db2.gz WJCKATSJKXAWPF-UHFFFAOYSA-N -1 0 342.395 3.978 20 0 EHADRM CC(C)(CC(=O)OCc1occc1C(=O)[O-])CC(=O)c1ccccc1 ZINC001590649181 990337034 /nfs/dbraw/zinc/33/70/34/990337034.db2.gz SWNSCZPPOKHBJO-UHFFFAOYSA-N -1 0 344.363 3.710 20 0 EHADRM CC(C)(CCC(=O)OCc1nc(C(=O)[O-])cs1)c1ccccc1 ZINC001590664935 990365962 /nfs/dbraw/zinc/36/59/62/990365962.db2.gz WKDCKWKLQGIVLY-UHFFFAOYSA-N -1 0 333.409 3.643 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cccc(F)c1)c1ccc(Cl)c(F)c1 ZINC000237988143 1015560873 /nfs/dbraw/zinc/56/08/73/1015560873.db2.gz BGSIOFDUADMUKB-AWEZNQCLSA-N -1 0 339.725 3.564 20 0 EHADRM CC(C)(CNC(=O)C1(c2ccc(F)cc2)CCCCC1)CC(=O)[O-] ZINC001590706048 990449058 /nfs/dbraw/zinc/44/90/58/990449058.db2.gz FISOPPCNQHBVRM-UHFFFAOYSA-N -1 0 335.419 3.645 20 0 EHADRM CC(C)(Cc1ccc(Cl)cc1)C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001590821874 990659694 /nfs/dbraw/zinc/65/96/94/990659694.db2.gz GVFZZNWOFPRXPO-BEFAXECRSA-N -1 0 349.858 3.765 20 0 EHADRM CC(C)=CCC[C@H](C)CC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001590921754 990913366 /nfs/dbraw/zinc/91/33/66/990913366.db2.gz JZZJHMYSGXWSIX-JXFKEZNVSA-N -1 0 331.456 3.918 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001590926923 990927878 /nfs/dbraw/zinc/92/78/78/990927878.db2.gz LRSMABAWUIZRAG-LIRRHRJNSA-N -1 0 347.480 3.928 20 0 EHADRM CC(C)[C@@H](C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1)c1cccnc1 ZINC001590956364 991026605 /nfs/dbraw/zinc/02/66/05/991026605.db2.gz CZKMSAWBNSUOQR-QGZVFWFLSA-N -1 0 337.379 3.639 20 0 EHADRM COc1cccc2c(C(=O)Nc3cc(C)cc(C(=O)[O-])c3)coc21 ZINC001599689733 991048497 /nfs/dbraw/zinc/04/84/97/991048497.db2.gz RISQGVSRJIZIBO-UHFFFAOYSA-N -1 0 325.320 3.700 20 0 EHADRM COc1cccc2c1CC[C@H](Nc1cccc([C@@H](C)C(=O)[O-])c1)C2 ZINC001599690100 991055370 /nfs/dbraw/zinc/05/53/70/991055370.db2.gz SYZAYQHTDSBULS-DYVFJYSZSA-N -1 0 325.408 3.853 20 0 EHADRM CC(C)[C@H](CCc1ccccc1)C(=O)NCc1ccccc1C(=O)[O-] ZINC001590980779 991134005 /nfs/dbraw/zinc/13/40/05/991134005.db2.gz JZBCGETVWLIKKB-SFHVURJKSA-N -1 0 339.435 3.906 20 0 EHADRM COc1ccccc1C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001599696828 991160786 /nfs/dbraw/zinc/16/07/86/991160786.db2.gz IPEXCVRQOXDQIM-UHFFFAOYSA-N -1 0 331.393 3.514 20 0 EHADRM COc1ccccc1[C@H](CC(C)C)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001599699064 991191840 /nfs/dbraw/zinc/19/18/40/991191840.db2.gz UIMKJFBSLLDEHA-KRWDZBQOSA-N -1 0 341.407 3.911 20 0 EHADRM CC(C)[C@@H](NC(=O)/C=C/c1cc(C(=O)[O-])co1)c1ccc(F)cc1 ZINC001591001763 991259712 /nfs/dbraw/zinc/25/97/12/991259712.db2.gz YEJKXBIZYGOHKF-IWAYRVGRSA-N -1 0 331.343 3.644 20 0 EHADRM COc1ccccc1C[C@@H](CNC(=O)CCCCC(C)(C)C)C(=O)[O-] ZINC001599707139 991309831 /nfs/dbraw/zinc/30/98/31/991309831.db2.gz SLOGGUWZWPORIY-INIZCTEOSA-N -1 0 349.471 3.661 20 0 EHADRM COc1ccccc1CCCNc1ccc(OCC(=O)[O-])cc1C ZINC001599708698 991333437 /nfs/dbraw/zinc/33/34/37/991333437.db2.gz LAVUJVZPPYHNFN-UHFFFAOYSA-N -1 0 329.396 3.512 20 0 EHADRM COc1ccccc1CN(Cc1cc(C(=O)[O-])ccc1F)C1CC1 ZINC001599710737 991366645 /nfs/dbraw/zinc/36/66/45/991366645.db2.gz CYNVFLXWAVDJJL-UHFFFAOYSA-N -1 0 329.371 3.697 20 0 EHADRM CC(C)[C@H](SCc1ccccc1)C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001591051619 991451483 /nfs/dbraw/zinc/45/14/83/991451483.db2.gz FCJMDWRLYANMHY-LPHOPBHVSA-N -1 0 349.496 3.658 20 0 EHADRM CC(C)[C@H](Sc1ccc(C(=O)[O-])cc1)C(=O)NC1CCCCC1 ZINC001591053074 991463504 /nfs/dbraw/zinc/46/35/04/991463504.db2.gz ZYVPZLYNDZFAHL-INIZCTEOSA-N -1 0 335.469 3.950 20 0 EHADRM CC(C)[C@]1(C)C[C@@H]1C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001591058424 991473726 /nfs/dbraw/zinc/47/37/26/991473726.db2.gz PAGCVJPUZLVCLM-VPWXQRGCSA-N -1 0 329.440 3.603 20 0 EHADRM CC(C)C1(C)CCN(C(=O)Nc2ccc(C(=O)[O-])cc2N(C)C)CC1 ZINC001591062212 991507133 /nfs/dbraw/zinc/50/71/33/991507133.db2.gz UGJIFDVUKKKVNC-UHFFFAOYSA-N -1 0 347.459 3.741 20 0 EHADRM CC(C)C1CCC(CN2C[C@@H](C(=O)[O-])Oc3cc(F)ccc32)CC1 ZINC001591080943 991588830 /nfs/dbraw/zinc/58/88/30/991588830.db2.gz WDGGHEHMKPFEJT-JRSKDTKFSA-N -1 0 335.419 3.940 20 0 EHADRM CC(C)C1CCC(NC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])CC1 ZINC001591081875 991594442 /nfs/dbraw/zinc/59/44/42/991594442.db2.gz MHHSVIMQIIMFPG-UHFFFAOYSA-N -1 0 342.439 3.740 20 0 EHADRM CC(C)[C@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])cc2N(C)C)CC1 ZINC001591087075 991607346 /nfs/dbraw/zinc/60/73/46/991607346.db2.gz JTBXNQXZWZYBJO-AWEZNQCLSA-N -1 0 347.459 3.741 20 0 EHADRM CC(C)[C@H]1CCCN(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)C1 ZINC001591087633 991608805 /nfs/dbraw/zinc/60/88/05/991608805.db2.gz ONXJBBBFTQXGGB-LBPRGKRZSA-N -1 0 329.400 3.766 20 0 EHADRM CC(C)[C@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2F)c2ccccc21 ZINC001591093600 991660415 /nfs/dbraw/zinc/66/04/15/991660415.db2.gz WHNCBKANJMBIJW-OAHLLOKOSA-N -1 0 327.355 3.924 20 0 EHADRM COc1nc(C)cc(C)c1CN(C)Cc1cccc(C(=O)[O-])c1Cl ZINC001599729265 991683305 /nfs/dbraw/zinc/68/33/05/991683305.db2.gz PYCKXGTWRGIUOV-UHFFFAOYSA-N -1 0 348.830 3.691 20 0 EHADRM CC(C)[C@H]1N(C(=O)C23CCC(C(=O)[O-])(CC2)C3)CC12CCCCC2 ZINC001591098264 991697938 /nfs/dbraw/zinc/69/79/38/991697938.db2.gz AKQYVCWLNVSUGN-VNCLNFNDSA-N -1 0 333.472 3.839 20 0 EHADRM CC(C)[C@H]1N(C(=O)c2cc(C(=O)[O-])ccn2)CC12CCCCCC2 ZINC001591098674 991704544 /nfs/dbraw/zinc/70/45/44/991704544.db2.gz HSKYURAENSNRJF-MRXNPFEDSA-N -1 0 330.428 3.601 20 0 EHADRM CN(CC(=O)[O-])C(=O)/C=C/c1cccc(-c2ccc(Cl)cc2)c1 ZINC001598404284 991710146 /nfs/dbraw/zinc/71/01/46/991710146.db2.gz ZBLOXKNVCIJBRJ-BJMVGYQFSA-N -1 0 329.783 3.563 20 0 EHADRM CC(C)[C@@H]1N(C(=O)Nc2ccc(C(=O)[O-])nc2)CC12CCCCCC2 ZINC001591099595 991712706 /nfs/dbraw/zinc/71/27/06/991712706.db2.gz NNBNJKMPDSICFU-INIZCTEOSA-N -1 0 345.443 3.993 20 0 EHADRM CC(C)C[C@@H](C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001591118207 991781771 /nfs/dbraw/zinc/78/17/71/991781771.db2.gz NPFJMTWOAFJIRL-TZMCWYRMSA-N -1 0 346.452 3.848 20 0 EHADRM CC(C)C[C@@H](C(=O)N[C@H]1CCC[C@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC001591119746 991788586 /nfs/dbraw/zinc/78/85/86/991788586.db2.gz GGQXIYWMPVLWME-OAGGEKHMSA-N -1 0 337.847 3.839 20 0 EHADRM CC(C)C[C@@H](C(=O)OCc1cccc(C(=O)[O-])n1)c1ccccc1 ZINC001591124199 991812275 /nfs/dbraw/zinc/81/22/75/991812275.db2.gz IIBIPWORUKDMHC-MRXNPFEDSA-N -1 0 327.380 3.653 20 0 EHADRM CC(C)C[C@H](C)C(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001591131186 991826452 /nfs/dbraw/zinc/82/64/52/991826452.db2.gz QYMIWUSXJWYWHE-VIFPVBQESA-N -1 0 328.206 3.768 20 0 EHADRM CC(C)C[C@H](C)N(C(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccc2[nH]ccc2c1 ZINC001591134621 991839776 /nfs/dbraw/zinc/83/97/76/991839776.db2.gz XKJAKNCPEHDAGW-VBNZEHGJSA-N -1 0 328.412 3.656 20 0 EHADRM CC(C)C[C@@H](C)OCCC(=O)Nc1nc(C(C)C)c(C(=O)[O-])s1 ZINC001591138168 991853468 /nfs/dbraw/zinc/85/34/68/991853468.db2.gz LAUILSPVCXFGOH-LLVKDONJSA-N -1 0 342.461 3.745 20 0 EHADRM CC(C)C[C@H](C)OCCC(=O)Nc1nc(C(C)C)c(C(=O)[O-])s1 ZINC001591138170 991854049 /nfs/dbraw/zinc/85/40/49/991854049.db2.gz LAUILSPVCXFGOH-NSHDSACASA-N -1 0 342.461 3.745 20 0 EHADRM CC(C)C[C@H](C)OCCC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001591138248 991854612 /nfs/dbraw/zinc/85/46/12/991854612.db2.gz LFVDQQSEPQZFSB-JTQLQIEISA-N -1 0 345.798 3.957 20 0 EHADRM COc1nsc(CN2CC3(CCCC3)c3ccccc32)c1C(=O)[O-] ZINC001599740954 991855108 /nfs/dbraw/zinc/85/51/08/991855108.db2.gz OMXZCNMWKTVIGJ-UHFFFAOYSA-N -1 0 344.436 3.682 20 0 EHADRM CC(C)C[C@H](C)OCCC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001591138627 991859434 /nfs/dbraw/zinc/85/94/34/991859434.db2.gz PHBNUXYWGYFNTB-JTQLQIEISA-N -1 0 345.798 3.957 20 0 EHADRM CC(C)C[C@H](C)OCCC(=O)Nc1cccc(C(=O)[O-])c1Cl ZINC001591139035 991862099 /nfs/dbraw/zinc/86/20/99/991862099.db2.gz XMZZYTAUMICREO-NSHDSACASA-N -1 0 327.808 3.818 20 0 EHADRM CC(C)C[C@H](Sc1nc(C(=O)[O-])cs1)C(=O)OC(C)(C)C ZINC001591191424 992002604 /nfs/dbraw/zinc/00/26/04/992002604.db2.gz ZVZWQYGOXZILSS-JTQLQIEISA-N -1 0 331.459 3.690 20 0 EHADRM CC(C)CCCC(=O)N[C@@H](C(=O)[O-])c1ccccc1Br ZINC001591229132 992108806 /nfs/dbraw/zinc/10/88/06/992108806.db2.gz VVURXUGUNWJFNR-CQSZACIVSA-N -1 0 342.233 3.517 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)N[C@@](C)(CC(=O)[O-])C2CC2)cc1 ZINC001591260349 992168669 /nfs/dbraw/zinc/16/86/69/992168669.db2.gz MBNBQWBTJVIKGC-IBGZPJMESA-N -1 0 348.443 3.876 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1F ZINC001591260766 992169674 /nfs/dbraw/zinc/16/96/74/992169674.db2.gz NVLSKJGEUMZMDQ-QWHCGFSZSA-N -1 0 337.391 3.690 20 0 EHADRM CC(C)CCc1ccc(NC(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC001591266442 992180361 /nfs/dbraw/zinc/18/03/61/992180361.db2.gz GQQCSPMPWBTNFM-UHFFFAOYSA-N -1 0 341.407 3.991 20 0 EHADRM CC(C)CCc1ccc(NC(=O)N2CCC(CC(=O)[O-])CC2)cc1 ZINC001591266895 992183730 /nfs/dbraw/zinc/18/37/30/992183730.db2.gz UNFYMFMHRUYNCZ-UHFFFAOYSA-N -1 0 332.444 3.994 20 0 EHADRM CC(C)CN(C(=O)CSc1ccccc1Cl)C(C)(C)C(=O)[O-] ZINC001591280466 992208895 /nfs/dbraw/zinc/20/88/95/992208895.db2.gz KDEKUHXIVGLKMT-UHFFFAOYSA-N -1 0 343.876 3.780 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CCc1ccc([C@H]2C[C@@H]2C)o1 ZINC001591308829 992262093 /nfs/dbraw/zinc/26/20/93/992262093.db2.gz ASRWSFXZJVASFW-HOCLYGCPSA-N -1 0 349.471 3.931 20 0 EHADRM CN(CCc1ccc(OC(F)(F)F)cc1)c1ccccc1C(=O)[O-] ZINC001598500054 992422426 /nfs/dbraw/zinc/42/24/26/992422426.db2.gz BRWJUMWAGQYXSK-UHFFFAOYSA-N -1 0 339.313 3.962 20 0 EHADRM Cc1ccc(Cc2n[n-]c(=NC(=O)N3CCC[C@H](C)[C@H]3C)s2)cc1 ZINC000510140566 1015708279 /nfs/dbraw/zinc/70/82/79/1015708279.db2.gz SNDXPTIOEIJAMR-UONOGXRCSA-N -1 0 344.484 3.512 20 0 EHADRM CN(CCc1cccc2ccccc21)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001598501524 992441836 /nfs/dbraw/zinc/44/18/36/992441836.db2.gz JFHWHOGFSKDLHI-UHFFFAOYSA-N -1 0 349.390 3.639 20 0 EHADRM CC(C)COc1cccc(NC(=O)NCC2(CC(=O)[O-])CCCC2)c1 ZINC001591402144 992482106 /nfs/dbraw/zinc/48/21/06/992482106.db2.gz SQFRSVBODIFXRE-UHFFFAOYSA-N -1 0 348.443 3.878 20 0 EHADRM CN(Cc1c(Cl)cccc1Cl)C(=O)c1ccccc1C(=O)[O-] ZINC001598505483 992497714 /nfs/dbraw/zinc/49/77/14/992497714.db2.gz JVAKHCBWQYSMOG-UHFFFAOYSA-N -1 0 338.190 3.964 20 0 EHADRM CC(C)Cc1ncc(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])s1 ZINC001591496999 992631805 /nfs/dbraw/zinc/63/18/05/992631805.db2.gz QXQQOBXAMTWQGM-UHFFFAOYSA-N -1 0 340.489 3.551 20 0 EHADRM CC(C)Cn1c(S[C@@H](C(=O)[O-])C(C)(C)C)nnc1-c1ccco1 ZINC001591516026 992678503 /nfs/dbraw/zinc/67/85/03/992678503.db2.gz FJJVQXHGWUSGLI-LBPRGKRZSA-N -1 0 337.445 3.786 20 0 EHADRM CN(Cc1ccccn1)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001598530686 992776207 /nfs/dbraw/zinc/77/62/07/992776207.db2.gz ADIVCCAAKDCXKP-UHFFFAOYSA-N -1 0 335.363 3.597 20 0 EHADRM CC(C)N(Cc1ccc(F)cc1)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001591596467 992822936 /nfs/dbraw/zinc/82/29/36/992822936.db2.gz DXMGLECWYBWOFD-UHFFFAOYSA-N -1 0 335.419 3.988 20 0 EHADRM CN(Cc1ccsc1)C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001598534221 992830982 /nfs/dbraw/zinc/83/09/82/992830982.db2.gz WGKYTSIHDBHRBN-UHFFFAOYSA-N -1 0 329.381 3.592 20 0 EHADRM CC(C)N(Cc1nc2cc(C(=O)[O-])ccc2[nH]1)Cc1ccccc1F ZINC001591604154 992841832 /nfs/dbraw/zinc/84/18/32/992841832.db2.gz KMXSGUGLIBVPOH-UHFFFAOYSA-N -1 0 341.386 3.811 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@](C)(C(=O)[O-])C1)c1cc2ccccc2s1 ZINC001593062616 993579291 /nfs/dbraw/zinc/57/92/91/993579291.db2.gz GVTHHYGMEAKREZ-SGTLLEGYSA-N -1 0 346.452 3.859 20 0 EHADRM CCCn1c(C(=O)N=c2ccc(C(F)(F)F)n[n-]2)cc2ccccc21 ZINC000471221658 1015792045 /nfs/dbraw/zinc/79/20/45/1015792045.db2.gz WJJOBPHPNKWOHR-UHFFFAOYSA-N -1 0 348.328 3.534 20 0 EHADRM C[C@@H](NC(=O)NCc1ccc(C(=O)[O-])cc1F)[C@H](C)c1ccccc1 ZINC001593104488 993754977 /nfs/dbraw/zinc/75/49/77/993754977.db2.gz SJOHBUVHLIMWLJ-QWHCGFSZSA-N -1 0 344.386 3.515 20 0 EHADRM C[C@@H](NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)c1ccc(Cl)c2ccccc21 ZINC001593108285 993763020 /nfs/dbraw/zinc/76/30/20/993763020.db2.gz HRFMCKUROQMLPM-IJLUTSLNSA-N -1 0 346.814 3.717 20 0 EHADRM C[C@H](NC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)c1ccccn1 ZINC001593118255 993826468 /nfs/dbraw/zinc/82/64/68/993826468.db2.gz HFRBJQQQYFERBX-JTQLQIEISA-N -1 0 341.392 3.877 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)[C@@H]1CCCOC1 ZINC001593118381 993828386 /nfs/dbraw/zinc/82/83/86/993828386.db2.gz KSUSWMJXRLDGKK-GHMZBOCLSA-N -1 0 348.424 3.536 20 0 EHADRM C[C@@H](NC(=O)Nc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593125383 993863368 /nfs/dbraw/zinc/86/33/68/993863368.db2.gz YEGSVTPNTXQFJY-OCCSQVGLSA-N -1 0 346.814 3.794 20 0 EHADRM C[C@@H](NC(=O)c1cc(C(=O)[O-])co1)c1cc(Cl)cc(Cl)c1F ZINC001593150200 993957023 /nfs/dbraw/zinc/95/70/23/993957023.db2.gz PONJMGDSGPEZIG-ZCFIWIBFSA-N -1 0 346.141 3.915 20 0 EHADRM C[C@H](NC(=O)c1ccc(Cl)c(F)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593162792 993998734 /nfs/dbraw/zinc/99/87/34/993998734.db2.gz MGSSCRORSAIZTK-SMDDNHRTSA-N -1 0 349.789 3.541 20 0 EHADRM COc1ccc(SCCC(=O)Nc2c(F)cccc2C(=O)[O-])cc1 ZINC001599619441 994060783 /nfs/dbraw/zinc/06/07/83/994060783.db2.gz QXUIFZDDFQAYIS-UHFFFAOYSA-N -1 0 349.383 3.653 20 0 EHADRM COc1ccc2[nH]c(C)c(C(=O)O[C@@H](C)c3cc(C(=O)[O-])co3)c2c1 ZINC001599623596 994117622 /nfs/dbraw/zinc/11/76/22/994117622.db2.gz GJQAFIJHKRARJW-JTQLQIEISA-N -1 0 343.335 3.694 20 0 EHADRM COc1ccc2[nH]c3c(c2c1)C[C@@H](Nc1cccc(C(=O)[O-])c1)CC3 ZINC001599623887 994121280 /nfs/dbraw/zinc/12/12/80/994121280.db2.gz VYWVNGHKMSDFSY-AWEZNQCLSA-N -1 0 336.391 3.844 20 0 EHADRM C[C@@H](N[C@@H](C)c1ccc(C(=O)[O-])o1)c1ccccc1OC(F)F ZINC001593194893 994142854 /nfs/dbraw/zinc/14/28/54/994142854.db2.gz ARNRRGFCARZSLD-ZJUUUORDSA-N -1 0 325.311 3.991 20 0 EHADRM COc1ccc2c(c1)C[C@H](Nc1ccc3c(C(=O)[O-])c[nH]c3c1)CC2 ZINC001599625690 994145225 /nfs/dbraw/zinc/14/52/25/994145225.db2.gz CXFACYWPRMYBNS-CQSZACIVSA-N -1 0 336.391 3.844 20 0 EHADRM C[C@@H](N[C@@H](C)c1c(F)cccc1F)c1ccc(OCC(=O)[O-])cc1 ZINC001593197914 994166425 /nfs/dbraw/zinc/16/64/25/994166425.db2.gz MGBUKTLXCQKDFK-NEPJUHHUSA-N -1 0 335.350 3.840 20 0 EHADRM COc1ccc2c(c1)CCCN2C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC001599628578 994183971 /nfs/dbraw/zinc/18/39/71/994183971.db2.gz WKGGVHAWEZBTHC-UHFFFAOYSA-N -1 0 340.379 3.687 20 0 EHADRM C[C@H](N[C@@H](C)c1nc(-c2ccccc2)cs1)c1nc(C(=O)[O-])co1 ZINC001593203291 994186069 /nfs/dbraw/zinc/18/60/69/994186069.db2.gz DCCOXUZJKQKANQ-QWRGUYRKSA-N -1 0 343.408 3.908 20 0 EHADRM O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1cc(C2CC2)no1 ZINC000441048723 1015840417 /nfs/dbraw/zinc/84/04/17/1015840417.db2.gz GTNLFPBNBCGDAJ-UHFFFAOYSA-N -1 0 346.799 3.976 20 0 EHADRM COc1ccc2c(c1)N(Cc1ccc(C3(C(=O)[O-])CC3)cc1)CCC2 ZINC001599629510 994196888 /nfs/dbraw/zinc/19/68/88/994196888.db2.gz BSWVLFITGIRVGP-UHFFFAOYSA-N -1 0 337.419 3.764 20 0 EHADRM COc1ccc2c(c1)CN([C@H](C(=O)[O-])c1c(F)cccc1Cl)CC2 ZINC001599631006 994217799 /nfs/dbraw/zinc/21/77/99/994217799.db2.gz SNLAPJFCSHYVNV-KRWDZBQOSA-N -1 0 349.789 3.672 20 0 EHADRM COc1ccc2cc(C(=O)N[C@H](C(=O)[O-])c3cccs3)sc2c1 ZINC001599633848 994258045 /nfs/dbraw/zinc/25/80/45/994258045.db2.gz RGSVEFJWAQQZSH-AWEZNQCLSA-N -1 0 347.417 3.527 20 0 EHADRM COc1ccc2cc(C(=O)N[C@@H](C(=O)[O-])C3CCCCC3)sc2c1 ZINC001599633955 994258747 /nfs/dbraw/zinc/25/87/47/994258747.db2.gz XWOUXNJJINDGMZ-MRXNPFEDSA-N -1 0 347.436 3.673 20 0 EHADRM COc1ccc2cc(NC(=O)c3c(C)[nH]c(C(=O)[O-])c3C)ccc2c1 ZINC001599634556 994267774 /nfs/dbraw/zinc/26/77/74/994267774.db2.gz QQBUUVHBDVOJFK-UHFFFAOYSA-N -1 0 338.363 3.744 20 0 EHADRM C[C@@H](N[C@H]1CCCOc2cc(F)ccc21)c1ncc(C(=O)[O-])s1 ZINC001593217902 994278682 /nfs/dbraw/zinc/27/86/82/994278682.db2.gz DIDYNXOZAJXDPN-SKDRFNHKSA-N -1 0 336.388 3.545 20 0 EHADRM COc1ccc2ccc(C(=O)N(C)[C@@H](C(=O)[O-])c3ccccc3)cc2c1 ZINC001599636431 994295303 /nfs/dbraw/zinc/29/53/03/994295303.db2.gz PNTBJOCKTTVBLI-LJQANCHMSA-N -1 0 349.386 3.746 20 0 EHADRM COc1ccc2occ(C(=O)Nc3c(F)cccc3C(=O)[O-])c2c1 ZINC001599637535 994310817 /nfs/dbraw/zinc/31/08/17/994310817.db2.gz NGEARXZWLVKAQW-UHFFFAOYSA-N -1 0 329.283 3.531 20 0 EHADRM COc1ccc2oc(C(=O)O[C@H](C)c3ccc(C(=O)[O-])o3)c(C)c2c1 ZINC001599637640 994312646 /nfs/dbraw/zinc/31/26/46/994312646.db2.gz GWKRONCVVXMXMC-SNVBAGLBSA-N -1 0 344.319 3.959 20 0 EHADRM COc1ccc2oc(C)c(C(=O)Nc3sccc3C(=O)[O-])c2c1 ZINC001599637748 994313290 /nfs/dbraw/zinc/31/32/90/994313290.db2.gz UDUWKIOGGMXZQM-UHFFFAOYSA-N -1 0 331.349 3.762 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC001599643816 994395771 /nfs/dbraw/zinc/39/57/71/994395771.db2.gz PDFUTSXGBQPSQD-UHFFFAOYSA-N -1 0 341.407 3.968 20 0 EHADRM COc1cccc(C(=O)[O-])c1CSc1ccc(-c2ccco2)nn1 ZINC001599644135 994401256 /nfs/dbraw/zinc/40/12/56/994401256.db2.gz GIFWBATVKOBPKN-UHFFFAOYSA-N -1 0 342.376 3.736 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)CC[C@H](C)c1ccccc1 ZINC001599644628 994407793 /nfs/dbraw/zinc/40/77/93/994407793.db2.gz QPFDCNFUVWMICP-ZDUSSCGKSA-N -1 0 328.364 3.883 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)[C@H]1C[C@H]1c1sccc1C ZINC001599644960 994412449 /nfs/dbraw/zinc/41/24/49/994412449.db2.gz FVTJSVREKHASRF-OLZOCXBDSA-N -1 0 345.420 3.530 20 0 EHADRM COc1cccc([C@H](C(=O)[O-])N(C)Cc2c(F)cccc2Cl)c1 ZINC001599650865 994496991 /nfs/dbraw/zinc/49/69/91/994496991.db2.gz OSWVRUFPOUJOFE-MRXNPFEDSA-N -1 0 337.778 3.745 20 0 EHADRM COc1cccc([C@H](C)C(=O)OCc2cc(C(=O)[O-])ccc2C)c1 ZINC001599653957 994549120 /nfs/dbraw/zinc/54/91/20/994549120.db2.gz DGPGSMLIQWSVRQ-ZDUSSCGKSA-N -1 0 328.364 3.549 20 0 EHADRM COc1cccc(/C(C)=C\C(=O)Nc2c(F)ccc(F)c2C(=O)[O-])c1 ZINC001599654618 994557702 /nfs/dbraw/zinc/55/77/02/994557702.db2.gz UWWPPBPXHFLBDK-NTMALXAHSA-N -1 0 347.317 3.714 20 0 EHADRM COc1cccc([C@H](N[C@H](C(F)F)C2CCCCC2)C(=O)[O-])c1 ZINC001599656426 994587896 /nfs/dbraw/zinc/58/78/96/994587896.db2.gz HNVASLPNKMRIPX-GJZGRUSLSA-N -1 0 327.371 3.625 20 0 EHADRM COc1cccc([C@@](C)(CC(=O)[O-])NCc2c(F)ccc(C)c2F)c1 ZINC001599656834 994595130 /nfs/dbraw/zinc/59/51/30/994595130.db2.gz XUWLZTDSBIAFNN-LJQANCHMSA-N -1 0 349.377 3.762 20 0 EHADRM C[C@](NCc1cc(-c2ccccc2)on1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593289743 994666309 /nfs/dbraw/zinc/66/63/09/994666309.db2.gz WTXRDSCNVZGZFS-LJQANCHMSA-N -1 0 340.354 3.570 20 0 EHADRM COc1cccc(C[C@H](C)CC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001599664170 994702267 /nfs/dbraw/zinc/70/22/67/994702267.db2.gz AYBKSCMPFFFOPN-ZDUSSCGKSA-N -1 0 341.407 3.909 20 0 EHADRM C[C@@H](NCc1csc(C(=O)[O-])c1)c1ncc(-c2ccccc2)o1 ZINC001593312277 994798290 /nfs/dbraw/zinc/79/82/90/994798290.db2.gz SBLWJRFVUJPJCE-LLVKDONJSA-N -1 0 328.393 3.952 20 0 EHADRM COc1cccc(CSCCOc2ccc(/C=C/C(=O)[O-])cc2)n1 ZINC001599676108 994900356 /nfs/dbraw/zinc/90/03/56/994900356.db2.gz HFXJQZZDAXJPHL-JXMROGBWSA-N -1 0 345.420 3.500 20 0 EHADRM C[C@H](Nc1cc(C(=O)[O-])ncn1)c1ccc(Oc2cccnc2)cc1 ZINC001593359361 995015511 /nfs/dbraw/zinc/01/55/11/995015511.db2.gz CJQRLBHBKSZCED-LBPRGKRZSA-N -1 0 336.351 3.535 20 0 EHADRM C[C@@H](Nc1cc(N2CCCC2=O)ccc1F)c1cc(C(=O)[O-])cs1 ZINC001593359608 995019993 /nfs/dbraw/zinc/01/99/93/995019993.db2.gz JYKAGDFNZZOVCQ-SNVBAGLBSA-N -1 0 348.399 3.885 20 0 EHADRM COC(=O)[C@@H](C)Cc1ccc(N[C@H](C)CC(C)(C)CC(=O)[O-])cc1 ZINC001598689149 995036943 /nfs/dbraw/zinc/03/69/43/995036943.db2.gz VDJMGNNJBWJZBT-UONOGXRCSA-N -1 0 335.444 3.730 20 0 EHADRM C[C@H](Nc1cccc(C(=O)NC2CC2)c1)c1cc(C(=O)[O-])cs1 ZINC001593365726 995043830 /nfs/dbraw/zinc/04/38/30/995043830.db2.gz HTGLGRYSSLKQFC-JTQLQIEISA-N -1 0 330.409 3.512 20 0 EHADRM C[C@@H](Nc1cccc(C(=O)NC2CC2)c1)c1cc(C(=O)[O-])cs1 ZINC001593365727 995043839 /nfs/dbraw/zinc/04/38/39/995043839.db2.gz HTGLGRYSSLKQFC-SNVBAGLBSA-N -1 0 330.409 3.512 20 0 EHADRM C[C@H](Nc1ncnc2ccc(F)cc21)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593373243 995064714 /nfs/dbraw/zinc/06/47/14/995064714.db2.gz AEXYPHXLMGSPHD-SWLSCSKDSA-N -1 0 339.370 3.513 20 0 EHADRM C[C@H](Nc1nc2c(cccc2F)o1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593374930 995075719 /nfs/dbraw/zinc/07/57/19/995075719.db2.gz WSVIWNCLAIJCML-AAEUAGOBSA-N -1 0 328.343 3.711 20 0 EHADRM COC(=O)[C@@H](S[C@@H](C)CC(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001598711740 995357858 /nfs/dbraw/zinc/35/78/58/995357858.db2.gz LGLJKFMDDWPULK-MADCSZMMSA-N -1 0 337.224 3.804 20 0 EHADRM COC(=O)[C@@H](SC[C@H](C)C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001598713575 995377319 /nfs/dbraw/zinc/37/73/19/995377319.db2.gz WGOGAYCMBKCHCO-CPCISQLKSA-N -1 0 337.224 3.661 20 0 EHADRM C[C@@H](OC(=O)CSc1ccc(F)c(F)c1)c1cc(C(=O)[O-])co1 ZINC001593534879 995592956 /nfs/dbraw/zinc/59/29/56/995592956.db2.gz JZPIPWIPQKNKGT-MRVPVSSYSA-N -1 0 342.319 3.653 20 0 EHADRM C[C@@H](OC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(F)c(C(F)(F)F)c1 ZINC001593547700 995624834 /nfs/dbraw/zinc/62/48/34/995624834.db2.gz PXXSHRAMEQQJCV-IEBDPFPHSA-N -1 0 348.292 3.950 20 0 EHADRM C[C@H](OC(=O)c1ccc(Cl)c(Cl)c1N)c1ccc(C(=O)[O-])o1 ZINC001593578478 995686635 /nfs/dbraw/zinc/68/66/35/995686635.db2.gz BGBRCCBPNSBNNE-LURJTMIESA-N -1 0 344.150 3.785 20 0 EHADRM C[C@H](OC(=O)c1ccc([C@H]2CCCOC2)cc1)c1cc(C(=O)[O-])co1 ZINC001593578587 995687195 /nfs/dbraw/zinc/68/71/95/995687195.db2.gz DPKDYXOPHHQGJU-WFASDCNBSA-N -1 0 344.363 3.790 20 0 EHADRM C[C@@H](Oc1ccc(N[C@@H](C)c2nc3ccccc3o2)cc1F)C(=O)[O-] ZINC001593633552 995923785 /nfs/dbraw/zinc/92/37/85/995923785.db2.gz ICBSRYKWJCFARO-WDEREUQCSA-N -1 0 344.342 3.992 20 0 EHADRM C[C@H](SCc1noc(CCC(=O)[O-])n1)c1ccc2c(c1)CCC2 ZINC001593664119 996049097 /nfs/dbraw/zinc/04/90/97/996049097.db2.gz HRPHRIHIEBBYAU-NSHDSACASA-N -1 0 332.425 3.570 20 0 EHADRM C[C@H](Sc1ccccc1-c1nnc([C@H]2CCCCO2)o1)C(=O)[O-] ZINC001593668295 996062648 /nfs/dbraw/zinc/06/26/48/996062648.db2.gz PPTDKBAWNNDNDB-CMPLNLGQSA-N -1 0 334.397 3.543 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NC12CCC(CC1)CC2)C(=O)[O-] ZINC001593669541 996070233 /nfs/dbraw/zinc/07/02/33/996070233.db2.gz UAPXGMZEWHURGC-ZVLZOBCMSA-N -1 0 333.453 3.704 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)OC[C@H]1CC1(Cl)Cl)C(=O)[O-] ZINC001593673396 996084053 /nfs/dbraw/zinc/08/40/53/996084053.db2.gz KEMXAIWGEMQBNA-RKDXNWHRSA-N -1 0 349.235 3.602 20 0 EHADRM C[C@H](Sc1nc2ccccc2n1C(F)F)C(=O)C(C)(C)C(=O)[O-] ZINC001593679654 996102108 /nfs/dbraw/zinc/10/21/08/996102108.db2.gz NXTIZJDGUDMIND-QMMMGPOBSA-N -1 0 342.367 3.592 20 0 EHADRM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001593685821 996118889 /nfs/dbraw/zinc/11/88/89/996118889.db2.gz CSKOCLNODWVTKX-GUTXKFCHSA-N -1 0 344.411 3.779 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001593693988 996147831 /nfs/dbraw/zinc/14/78/31/996147831.db2.gz QICYJQZGHLLVGG-MYZSUADSSA-N -1 0 337.847 3.791 20 0 EHADRM C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001593706059 996194101 /nfs/dbraw/zinc/19/41/01/996194101.db2.gz OACZDEHTZLPDFQ-SCLBCKFNSA-N -1 0 341.382 3.932 20 0 EHADRM C[C@@H](c1ccccc1)N(C)C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001593710355 996209679 /nfs/dbraw/zinc/20/96/79/996209679.db2.gz MJRQHOQGYFKYRN-AWEZNQCLSA-N -1 0 342.395 3.765 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001593713183 996218930 /nfs/dbraw/zinc/21/89/30/996218930.db2.gz KHTCNLSWLCHFOD-DGCLKSJQSA-N -1 0 338.835 3.543 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(C)C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001593713751 996224137 /nfs/dbraw/zinc/22/41/37/996224137.db2.gz QKCCQBFLKHIGSU-NSHDSACASA-N -1 0 347.802 3.587 20 0 EHADRM C[C@H](c1nc(C(=O)[O-])co1)[S@@](=O)Cc1ccc(Cl)c(Cl)c1 ZINC001593729652 996292979 /nfs/dbraw/zinc/29/29/79/996292979.db2.gz LHNTXKFRFBTCQN-QFWYVNQISA-N -1 0 348.207 3.690 20 0 EHADRM C[C@@]1(C(=O)Nc2ccc(Oc3ccnc(C(=O)[O-])c3)cc2)C=CCC1 ZINC001593759655 996416414 /nfs/dbraw/zinc/41/64/14/996416414.db2.gz IXYZERFZNRLKAZ-LJQANCHMSA-N -1 0 338.363 3.867 20 0 EHADRM CC(C)(C)c1ccc(/C=C/C(=O)N2CCC[C@](C)(C(=O)[O-])C2)cc1 ZINC001593765899 996443565 /nfs/dbraw/zinc/44/35/65/996443565.db2.gz AIADNCQGKXLUSN-ZBWUASRJSA-N -1 0 329.440 3.711 20 0 EHADRM CC(C)(C)c1ccc(/C=C/C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)cc1 ZINC001593765896 996443810 /nfs/dbraw/zinc/44/38/10/996443810.db2.gz AIADNCQGKXLUSN-OJLWIZQOSA-N -1 0 329.440 3.711 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)C1 ZINC001593773266 996471816 /nfs/dbraw/zinc/47/18/16/996471816.db2.gz XWYVYNJCOVBAQS-CQSZACIVSA-N -1 0 349.736 3.686 20 0 EHADRM COC(=O)C[C@H](C)S[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001598837532 996497966 /nfs/dbraw/zinc/49/79/66/996497966.db2.gz FPASTMRLUIIAOW-UFBFGSQYSA-N -1 0 336.331 3.516 20 0 EHADRM CC1(C)C[C@@H](C(=O)O[C@@H]2CCCc3cc(C(=O)[O-])ccc32)CCO1 ZINC001593848073 996617473 /nfs/dbraw/zinc/61/74/73/996617473.db2.gz HJFMUGKZBSFZSE-GOEBONIOSA-N -1 0 332.396 3.511 20 0 EHADRM CC1(C)C[C@H](C(=O)Nc2cccc(C(=O)[O-])c2)c2ccccc2O1 ZINC001593848132 996617904 /nfs/dbraw/zinc/61/79/04/996617904.db2.gz JWTSIOQJKQYFDW-HNNXBMFYSA-N -1 0 325.364 3.668 20 0 EHADRM CC1(C)C[C@@H](C(=O)Nc2ccsc2C(=O)[O-])c2ccccc2O1 ZINC001593848744 996621224 /nfs/dbraw/zinc/62/12/24/996621224.db2.gz YWTVLSZVHQAONZ-LLVKDONJSA-N -1 0 331.393 3.730 20 0 EHADRM CC1(C)CC(C)(C)c2cc(NC(=O)c3ccc(C(=O)[O-])[nH]3)ccc21 ZINC001593849044 996621902 /nfs/dbraw/zinc/62/19/02/996621902.db2.gz DPTFYPOSVYSONW-UHFFFAOYSA-N -1 0 326.396 3.924 20 0 EHADRM CC1(C)C[C@@H](O)c2c(OCc3ccc(C(=O)[O-])cc3)cccc2O1 ZINC001593861876 996657331 /nfs/dbraw/zinc/65/73/31/996657331.db2.gz LYNDJVAELQSDQL-CQSZACIVSA-N -1 0 328.364 3.558 20 0 EHADRM CC1(C)C[C@@]1(C(=O)Nc1ccc(CC(=O)[O-])c(F)c1)c1ccccc1 ZINC001593864861 996669844 /nfs/dbraw/zinc/66/98/44/996669844.db2.gz JZROVTBAMJZIRJ-FQEVSTJZSA-N -1 0 341.382 3.759 20 0 EHADRM CC1(C)CCC[C@@](NC(=O)[C@@H]2Cc3ccc(Cl)cc32)(C(=O)[O-])C1 ZINC001593891827 996738360 /nfs/dbraw/zinc/73/83/60/996738360.db2.gz OCHCZBMENHXVEY-KDOFPFPSSA-N -1 0 335.831 3.520 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)c1cc(C2CC2)[nH]c1C1CC1 ZINC001599379340 996805564 /nfs/dbraw/zinc/80/55/64/996805564.db2.gz LJQBPIJROOCYSY-UHFFFAOYSA-N -1 0 341.363 3.696 20 0 EHADRM CC1(C)CCc2c(OC(=O)c3ccc(C(=O)[O-])cc3F)cccc2O1 ZINC001593916090 996815579 /nfs/dbraw/zinc/81/55/79/996815579.db2.gz LUGCYMYKGHZYDP-UHFFFAOYSA-N -1 0 344.338 3.847 20 0 EHADRM COc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(C)c2)c(Cl)c1 ZINC001599484155 996817148 /nfs/dbraw/zinc/81/71/48/996817148.db2.gz WSNFOVNTROGJPD-INIZCTEOSA-N -1 0 347.798 3.603 20 0 EHADRM COCc1c(Cl)cccc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001599278195 996847524 /nfs/dbraw/zinc/84/75/24/996847524.db2.gz DVQFJQFLCUEUDG-UHFFFAOYSA-N -1 0 339.819 3.850 20 0 EHADRM COc1ccc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1Cl ZINC001599485999 996850536 /nfs/dbraw/zinc/85/05/36/996850536.db2.gz WKZRJZISERGRCL-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)cc1F ZINC001599486029 996850608 /nfs/dbraw/zinc/85/06/08/996850608.db2.gz YJJNFUBMQFOENC-UHFFFAOYSA-N -1 0 339.322 3.938 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1(C)C ZINC001593934113 996895840 /nfs/dbraw/zinc/89/58/40/996895840.db2.gz GTHGJMZTGFXPAB-UHFFFAOYSA-N -1 0 342.342 3.639 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccc(CC(=O)[O-])cc2)c2cc(F)ccc21 ZINC001593935302 996908463 /nfs/dbraw/zinc/90/84/63/996908463.db2.gz VZWPIQMEBWATKP-UHFFFAOYSA-N -1 0 342.370 3.783 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@@H]2CCCc3ccccc32)c1F ZINC001599489682 996915235 /nfs/dbraw/zinc/91/52/35/996915235.db2.gz OULGHVKEJJEFEF-CYBMUJFWSA-N -1 0 343.354 3.591 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2ccc3nc(C)sc3c2)c1 ZINC001599490438 996928757 /nfs/dbraw/zinc/92/87/57/996928757.db2.gz QMIJBUYKKRSUMC-UHFFFAOYSA-N -1 0 342.376 3.564 20 0 EHADRM COCc1cc(NC(=O)N(C)[C@@H](C)c2cccs2)cc(C(=O)[O-])c1 ZINC001599283482 996933235 /nfs/dbraw/zinc/93/32/35/996933235.db2.gz IKXOMDHDAPCXAC-NSHDSACASA-N -1 0 348.424 3.818 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2coc(C3CCCCC3)n2)c1 ZINC001599490774 996934697 /nfs/dbraw/zinc/93/46/97/996934697.db2.gz CFJJNHFDPNXCOL-UHFFFAOYSA-N -1 0 344.367 3.681 20 0 EHADRM COCc1cc(NC(=O)N(C)C2CCC(C)(C)CC2)cc(C(=O)[O-])c1 ZINC001599283823 996939289 /nfs/dbraw/zinc/93/92/89/996939289.db2.gz ZJMMGUABQRIZNL-UHFFFAOYSA-N -1 0 348.443 3.964 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)CCc2cccc(Cl)c2)c1 ZINC001599491116 996941311 /nfs/dbraw/zinc/94/13/11/996941311.db2.gz DMLFUUFKZKDUOS-UHFFFAOYSA-N -1 0 334.755 3.585 20 0 EHADRM COc1cc(C(C)=O)ccc1S[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001599387759 996976278 /nfs/dbraw/zinc/97/62/78/996976278.db2.gz FZNJMVKTARUXBO-MRXNPFEDSA-N -1 0 334.368 3.955 20 0 EHADRM COCc1cc(NC(=O)N2CCCC[C@H]2C(C)C)cc(C(=O)[O-])c1 ZINC001599286240 996983359 /nfs/dbraw/zinc/98/33/59/996983359.db2.gz WSEZVJRPCDRZQT-INIZCTEOSA-N -1 0 334.416 3.574 20 0 EHADRM COCc1cc(NC(=O)N[C@H]2CCC[C@H]2C(C)(C)C)cc(C(=O)[O-])c1 ZINC001599287418 997003670 /nfs/dbraw/zinc/00/36/70/997003670.db2.gz MZMZRMNTWKAXIS-CVEARBPZSA-N -1 0 348.443 3.868 20 0 EHADRM COCc1cc(NC(=O)NC[C@@H]2CCCC(C)(C)C2)cc(C(=O)[O-])c1 ZINC001599287562 997005889 /nfs/dbraw/zinc/00/58/89/997005889.db2.gz QDZPEUYQUKJDIY-CYBMUJFWSA-N -1 0 348.443 3.869 20 0 EHADRM COCc1cc(N[C@H](C)Cc2ccccc2OC)cc(C(=O)[O-])c1 ZINC001599288233 997018267 /nfs/dbraw/zinc/01/82/67/997018267.db2.gz RTXFFVUJNLFSSI-CYBMUJFWSA-N -1 0 329.396 3.583 20 0 EHADRM COC[C@H](SCC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)c1ccccc1 ZINC001599187611 997056083 /nfs/dbraw/zinc/05/60/83/997056083.db2.gz RVNARJUEMDUWDE-HNNXBMFYSA-N -1 0 347.436 3.633 20 0 EHADRM CC1(C)Cc2cc(C(=O)N3CC[C@@H]3C(=O)[O-])sc2-c2ccccc21 ZINC001593964228 997095217 /nfs/dbraw/zinc/09/52/17/997095217.db2.gz FEFQVQPBGKYBLO-CQSZACIVSA-N -1 0 341.432 3.548 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1ccc(Cl)cc1C ZINC001599398699 997175608 /nfs/dbraw/zinc/17/56/08/997175608.db2.gz LBUSNXLLFUSONA-XBXARRHUSA-N -1 0 346.766 3.974 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)[C@@H]1CCC=CCCC1 ZINC001599399801 997194750 /nfs/dbraw/zinc/19/47/50/997194750.db2.gz OZVKGNQSJYONNF-CTVLLYKCSA-N -1 0 330.380 3.835 20 0 EHADRM COCC1(C)CCN(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])CC1 ZINC001599196079 997217438 /nfs/dbraw/zinc/21/74/38/997217438.db2.gz FHCNISPFOYEOAR-UHFFFAOYSA-N -1 0 348.443 3.789 20 0 EHADRM COc1cc(C=CC(=O)[O-])ccc1OCC(=O)c1cccc(Cl)c1 ZINC001599401311 997219787 /nfs/dbraw/zinc/21/97/87/997219787.db2.gz WCSWVJAWMRBUPW-VURMDHGXSA-N -1 0 346.766 3.708 20 0 EHADRM COc1ccc([C@@H](C)N(C)C(=O)Nc2cccc(F)c2C(=O)[O-])cc1 ZINC001599507298 997233099 /nfs/dbraw/zinc/23/30/99/997233099.db2.gz LMQUSYIMLOGRMM-LLVKDONJSA-N -1 0 346.358 3.757 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Nc2cc(F)cc(C(=O)[O-])c2F)cc1 ZINC001599507398 997235362 /nfs/dbraw/zinc/23/53/62/997235362.db2.gz ZISCGECGFVGAAN-SNVBAGLBSA-N -1 0 349.333 3.804 20 0 EHADRM CC1(C2CC2)CCN(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)CC1 ZINC001593988721 997245146 /nfs/dbraw/zinc/24/51/46/997245146.db2.gz QSLYJMTUGDDBQR-UHFFFAOYSA-N -1 0 341.411 3.910 20 0 EHADRM C[C@@]1(C2CCCCC2)CCN1C(=O)c1ccccc1CCC(=O)[O-] ZINC001593992077 997263054 /nfs/dbraw/zinc/26/30/54/997263054.db2.gz BJMYTUNZQWYROS-FQEVSTJZSA-N -1 0 329.440 3.889 20 0 EHADRM COCc1nc(NC(=O)C[C@H]2CCCCC2(C)C)sc1C(=O)[O-] ZINC001599304291 997287700 /nfs/dbraw/zinc/28/77/00/997287700.db2.gz JRVTVRQADYZYCC-SNVBAGLBSA-N -1 0 340.445 3.533 20 0 EHADRM C[C@]1(CC(=O)Nc2cc(C(=O)[O-])ccc2Cl)CC1(Cl)Cl ZINC001593997020 997310794 /nfs/dbraw/zinc/31/07/94/997310794.db2.gz DSFPVGHPPGOKEV-LBPRGKRZSA-N -1 0 336.602 3.951 20 0 EHADRM CON(C(=O)c1cc(-c2ccccc2)ccc1Cl)[C@H](C)CC(=O)[O-] ZINC001599312659 997443737 /nfs/dbraw/zinc/44/37/37/997443737.db2.gz KXTJSUJRMIBHDW-GFCCVEGCSA-N -1 0 347.798 3.874 20 0 EHADRM CON(C[C@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC001599317946 997531482 /nfs/dbraw/zinc/53/14/82/997531482.db2.gz WVELSUBGRMKVKP-JSGCOSHPSA-N -1 0 334.416 3.915 20 0 EHADRM COc1cc(Cl)c(N[C@H](C)c2ncc(C(=O)[O-])s2)cc1C ZINC001599419844 997574510 /nfs/dbraw/zinc/57/45/10/997574510.db2.gz ONXXKPUIPRPSTB-MRVPVSSYSA-N -1 0 326.805 3.985 20 0 EHADRM COc1cc(Cl)cc(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])c1 ZINC001599419812 997574768 /nfs/dbraw/zinc/57/47/68/997574768.db2.gz MMFGMEQCFQYQEP-HNNXBMFYSA-N -1 0 339.819 3.502 20 0 EHADRM CO[C@@H]1CCC[C@@H](CC(=O)OCc2cccc(C(=O)[O-])c2Cl)C1 ZINC001599111796 997582684 /nfs/dbraw/zinc/58/26/84/997582684.db2.gz GCGMIDRFSOATPU-DGCLKSJQSA-N -1 0 340.803 3.677 20 0 EHADRM C[C@]1(Cc2ccccc2)CCCN1C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001594041243 997658347 /nfs/dbraw/zinc/65/83/47/997658347.db2.gz CQTSRNLVXJUZSO-SQGPQFPESA-N -1 0 329.440 3.501 20 0 EHADRM CO[C@@H]1CCCC[C@H]1C(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001599116418 997661511 /nfs/dbraw/zinc/66/15/11/997661511.db2.gz WDWYHDCOZXUBDF-BRWVUGGUSA-N -1 0 332.396 3.511 20 0 EHADRM COc1ccc([C@H](NCc2ccc(C(=O)[O-])cc2)C(F)(F)F)cc1 ZINC001599532555 997683574 /nfs/dbraw/zinc/68/35/74/997683574.db2.gz RLDRFTAMAZNALG-HNNXBMFYSA-N -1 0 339.313 3.787 20 0 EHADRM C[C@@]1(NC(=O)Cc2cc3cc(Cl)ccc3[nH]2)CCCC[C@H]1C(=O)[O-] ZINC001594052000 997750630 /nfs/dbraw/zinc/75/06/30/997750630.db2.gz CCAWWMUFGYNLQN-KBXCAEBGSA-N -1 0 348.830 3.514 20 0 EHADRM C[C@]1(NC(=O)CCCc2ccccc2Cl)CCCC[C@H]1C(=O)[O-] ZINC001594052371 997756104 /nfs/dbraw/zinc/75/61/04/997756104.db2.gz GNLFLVXIGUFJQH-KSSFIOAISA-N -1 0 337.847 3.812 20 0 EHADRM COc1c(C)cnc(CN(C)[C@@H](C(=O)[O-])c2ccccc2Cl)c1C ZINC001599333763 997794482 /nfs/dbraw/zinc/79/44/82/997794482.db2.gz IWMALXRUTRNURQ-MRXNPFEDSA-N -1 0 348.830 3.618 20 0 EHADRM COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001599539103 997800570 /nfs/dbraw/zinc/80/05/70/997800570.db2.gz ODTGADBFEFPIJE-KRWDZBQOSA-N -1 0 340.379 3.762 20 0 EHADRM COc1cc(NC(=O)N(C)Cc2cc(C)cc(C)c2)ccc1C(=O)[O-] ZINC001599433647 997803363 /nfs/dbraw/zinc/80/33/63/997803363.db2.gz GPYYLUMVELQZBY-UHFFFAOYSA-N -1 0 342.395 3.674 20 0 EHADRM COc1cc(NC(=O)N2CCC[C@@]2(C)CC(C)C)ccc1C(=O)[O-] ZINC001599433999 997809685 /nfs/dbraw/zinc/80/96/85/997809685.db2.gz ADGGBPBLHSMOMJ-SFHVURJKSA-N -1 0 334.416 3.826 20 0 EHADRM COc1cc(NC(=O)N2CCCC3(CCCCC3)C2)ccc1C(=O)[O-] ZINC001599434306 997815884 /nfs/dbraw/zinc/81/58/84/997815884.db2.gz DTFLTOHKFTXECG-UHFFFAOYSA-N -1 0 346.427 3.972 20 0 EHADRM COc1c(NC(=O)/C(C)=C\c2ccc(F)cc2)cccc1C(=O)[O-] ZINC001599336350 997844420 /nfs/dbraw/zinc/84/44/20/997844420.db2.gz FQIXVWQJOTWRNM-KHPPLWFESA-N -1 0 329.327 3.575 20 0 EHADRM COc1cc(NC(=O)N2CCc3c2cccc3Cl)ccc1C(=O)[O-] ZINC001599437425 997871401 /nfs/dbraw/zinc/87/14/01/997871401.db2.gz WVMKGYQWUKPHRO-UHFFFAOYSA-N -1 0 346.770 3.641 20 0 EHADRM COc1cc(NC(=O)NC[C@H](C)c2ccc(C)cc2)ccc1C(=O)[O-] ZINC001599437589 997874929 /nfs/dbraw/zinc/87/49/29/997874929.db2.gz GUPXWUXQECZPOW-ZDUSSCGKSA-N -1 0 342.395 3.627 20 0 EHADRM COc1c(NC(=O)Cc2coc3ccc(C)cc23)cccc1C(=O)[O-] ZINC001599338308 997877495 /nfs/dbraw/zinc/87/74/95/997877495.db2.gz KMFMFFZFGFYHKR-UHFFFAOYSA-N -1 0 339.347 3.629 20 0 EHADRM COc1cc(NC(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)c(C)cc1C ZINC001599438135 997884679 /nfs/dbraw/zinc/88/46/79/997884679.db2.gz KOCDPKUSEGLHHD-OAHLLOKOSA-N -1 0 348.443 3.715 20 0 EHADRM CO[C@H]1CCOc2c(NCCc3ccccc3C(=O)[O-])cccc21 ZINC001599127989 997887231 /nfs/dbraw/zinc/88/72/31/997887231.db2.gz OGFXYKUHHXDLHP-KRWDZBQOSA-N -1 0 327.380 3.509 20 0 EHADRM COc1c(NC(=O)N[C@H](C)c2ccc(F)c(C)c2)cccc1C(=O)[O-] ZINC001599339196 997892907 /nfs/dbraw/zinc/89/29/07/997892907.db2.gz KIRUZYBQAHKCTK-LLVKDONJSA-N -1 0 346.358 3.724 20 0 EHADRM CC1(c2cc(NC(=O)N[C@H](CC(=O)[O-])C3CCCC3)no2)CCCC1 ZINC001594069504 997900444 /nfs/dbraw/zinc/90/04/44/997900444.db2.gz CXUPGJJGXNBLFT-CYBMUJFWSA-N -1 0 349.431 3.661 20 0 EHADRM COc1cc(NC(=O)NC[C@@H](C)c2cccc(C)c2)ccc1C(=O)[O-] ZINC001599439010 997900521 /nfs/dbraw/zinc/90/05/21/997900521.db2.gz XATAUKQUJDENGH-CYBMUJFWSA-N -1 0 342.395 3.627 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])c2)cs1 ZINC000013467663 1016165769 /nfs/dbraw/zinc/16/57/69/1016165769.db2.gz WGBXXIFLAXSGOQ-LSDHHAIUSA-N -1 0 342.420 3.724 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC[C@H]1CCC2(CCC2)CO1 ZINC001599545422 997914454 /nfs/dbraw/zinc/91/44/54/997914454.db2.gz FAWKQVLUCNVUCN-ZDTYVGOBSA-N -1 0 332.396 3.521 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OCc1cccc2ncccc12 ZINC001599546059 997924987 /nfs/dbraw/zinc/92/49/87/997924987.db2.gz KUGASSFCXMGSPQ-CSKARUKUSA-N -1 0 335.359 3.920 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)Cc1sc(C)cc1C ZINC001599546162 997927092 /nfs/dbraw/zinc/92/70/92/997927092.db2.gz LTEZNNGSYPHBDB-FNORWQNLSA-N -1 0 346.404 3.619 20 0 EHADRM COc1c(NC(=O)c2ccc(CC(C)C)cc2)cccc1C(=O)[O-] ZINC001599341398 997928889 /nfs/dbraw/zinc/92/88/89/997928889.db2.gz AWQGNVHCAJNMBL-UHFFFAOYSA-N -1 0 327.380 3.844 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)c1ccc(C(F)F)o1 ZINC001599546440 997931189 /nfs/dbraw/zinc/93/11/89/997931189.db2.gz NVPSPHWHZHRUIB-CLTKARDFSA-N -1 0 338.262 3.543 20 0 EHADRM COc1cc(NC(=O)c2cccc3cc(O)ccc32)ccc1C(=O)[O-] ZINC001599441841 997942050 /nfs/dbraw/zinc/94/20/50/997942050.db2.gz KLLMOYYXVOOLPT-UHFFFAOYSA-N -1 0 337.331 3.505 20 0 EHADRM COc1cc(N[C@H](C)c2ncc(C(=O)[O-])s2)ccc1OC(F)F ZINC001599443452 997968484 /nfs/dbraw/zinc/96/84/84/997968484.db2.gz SFIRIFMBSLAMBK-SSDOTTSWSA-N -1 0 344.339 3.624 20 0 EHADRM COc1cc(N[C@H](C)[C@H]2C[C@H]2C(=O)[O-])c(Cl)cc1Br ZINC001599443689 997973217 /nfs/dbraw/zinc/97/32/17/997973217.db2.gz XMAJALIDEJFVKV-BWZBUEFSSA-N -1 0 348.624 3.632 20 0 EHADRM COc1c(Nc2ccc(NC3CCCCC3)cc2)ncnc1C(=O)[O-] ZINC001599345184 997991499 /nfs/dbraw/zinc/99/14/99/997991499.db2.gz RLGFXXVTHVTGKN-UHFFFAOYSA-N -1 0 342.399 3.672 20 0 EHADRM COc1ccc(C[C@@H](C)C(=O)Oc2cc(C(=O)[O-])cc(F)c2C)cc1 ZINC001599550216 997993430 /nfs/dbraw/zinc/99/34/30/997993430.db2.gz KVLMTYQBGDDMLA-LLVKDONJSA-N -1 0 346.354 3.625 20 0 EHADRM COc1cc(OC(=O)COc2cccc(C(C)C)c2)ccc1C(=O)[O-] ZINC001599445682 998005252 /nfs/dbraw/zinc/00/52/52/998005252.db2.gz KTLRYMIVEYRLLA-UHFFFAOYSA-N -1 0 344.363 3.501 20 0 EHADRM COc1cc(OC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)ccc1C(=O)[O-] ZINC001599446362 998015946 /nfs/dbraw/zinc/01/59/46/998015946.db2.gz YTXWSPFTDCKURP-BBRMVZONSA-N -1 0 340.322 3.514 20 0 EHADRM COc1cc(OC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)ccc1C(=O)[O-] ZINC001599446455 998017542 /nfs/dbraw/zinc/01/75/42/998017542.db2.gz VIQVZKQJPKJTCS-CABCVRRESA-N -1 0 346.766 3.756 20 0 EHADRM CC1=C(Br)CN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC001594091178 998042246 /nfs/dbraw/zinc/04/22/46/998042246.db2.gz ZVKJQUZFNOLOSG-ZDUSSCGKSA-N -1 0 344.636 3.840 20 0 EHADRM COC(=O)c1cc(NCc2ccc(Cl)c(F)c2)ccc1C(=O)[O-] ZINC001598947983 998091943 /nfs/dbraw/zinc/09/19/43/998091943.db2.gz GLISHPMDBJQCGI-UHFFFAOYSA-N -1 0 337.734 3.576 20 0 EHADRM COc1cc(OC)cc([C@@H](N[C@@H](C)c2ccc(C)s2)C(=O)[O-])c1 ZINC001599451826 998116288 /nfs/dbraw/zinc/11/62/88/998116288.db2.gz BEAUVUBTBQFTGH-MEDUHNTESA-N -1 0 335.425 3.550 20 0 EHADRM COC(=O)c1cc(OCCSC2CCCCC2)cc(C(=O)[O-])c1 ZINC001598949377 998119626 /nfs/dbraw/zinc/11/96/26/998119626.db2.gz DNUGRLFAIYEOEG-UHFFFAOYSA-N -1 0 338.425 3.616 20 0 EHADRM COc1cc(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)ccc1O ZINC001599355282 998167804 /nfs/dbraw/zinc/16/78/04/998167804.db2.gz ZJEIOWILGGSRFJ-UHFFFAOYSA-N -1 0 337.331 3.505 20 0 EHADRM COc1cc(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])ccc1F ZINC001599355739 998175938 /nfs/dbraw/zinc/17/59/38/998175938.db2.gz ITCLWICVRGNTJU-UHFFFAOYSA-N -1 0 331.343 3.908 20 0 EHADRM COc1cc(C(=O)Nc2ccc(C)c(C)c2C(=O)[O-])ccc1Cl ZINC001599355797 998176895 /nfs/dbraw/zinc/17/68/95/998176895.db2.gz LLTCSXOYOMTBNS-UHFFFAOYSA-N -1 0 333.771 3.916 20 0 EHADRM COc1cc(OCc2ccsc2C(=O)[O-])ccc1Br ZINC001599456302 998193712 /nfs/dbraw/zinc/19/37/12/998193712.db2.gz DAEXNNFUUYUOIE-UHFFFAOYSA-N -1 0 343.198 3.796 20 0 EHADRM CC1=C(C)C[C@H](C(=O)Nc2ccc(O[C@@H](C)C(=O)[O-])c(F)c2)CC1 ZINC001594110818 998215634 /nfs/dbraw/zinc/21/56/34/998215634.db2.gz ZWJLBCSZHSQFDA-QWHCGFSZSA-N -1 0 335.375 3.753 20 0 EHADRM COC(=O)c1cc2ccccc2cc1NC(=O)c1cccc(C(=O)[O-])c1 ZINC001598956417 998250160 /nfs/dbraw/zinc/25/01/60/998250160.db2.gz GMLWTXRBJDEEJG-UHFFFAOYSA-N -1 0 349.342 3.577 20 0 EHADRM COCCOc1cc(C)ccc1NCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001599257006 998320854 /nfs/dbraw/zinc/32/08/54/998320854.db2.gz KNAVEUVJQDOLDK-UHFFFAOYSA-N -1 0 349.814 3.984 20 0 EHADRM COc1cc(C(=O)[O-])ccc1CCNc1ncc(C(F)(F)F)s1 ZINC001599366661 998344390 /nfs/dbraw/zinc/34/43/90/998344390.db2.gz CPEFLAKGXWBMMG-UHFFFAOYSA-N -1 0 346.330 3.523 20 0 EHADRM COc1ccc(CNC(=O)c2cccc3ccsc32)cc1C(=O)[O-] ZINC001599570618 998358344 /nfs/dbraw/zinc/35/83/44/998358344.db2.gz FOIDPDKPQLJUOW-UHFFFAOYSA-N -1 0 341.388 3.538 20 0 EHADRM C[C@H]1C(=O)Nc2cccc(C(=O)[O-])c2N1C(=O)CCCCC(C)(C)C ZINC001594132915 998358569 /nfs/dbraw/zinc/35/85/69/998358569.db2.gz RRZGRPCMWKJGAY-LBPRGKRZSA-N -1 0 346.427 3.665 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)Sc1ccc(F)cc1 ZINC001599371476 998416651 /nfs/dbraw/zinc/41/66/51/998416651.db2.gz QYXPIQSPXNJAQS-JTQLQIEISA-N -1 0 349.383 3.652 20 0 EHADRM COC[C@H](C)N(C(=O)C[C@H](C)CC(=O)[O-])c1cc(Cl)ccc1C ZINC001599160742 998453897 /nfs/dbraw/zinc/45/38/97/998453897.db2.gz JQSDRFJHXQXJOY-AAEUAGOBSA-N -1 0 341.835 3.517 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1coc(C2CCCCC2)n1 ZINC001599375160 998473833 /nfs/dbraw/zinc/47/38/33/998473833.db2.gz HTDMEKQALYPLNR-UHFFFAOYSA-N -1 0 344.367 3.681 20 0 EHADRM COc1ccc(Cn2ccnc2S[C@@H](C(=O)[O-])C(C)(C)C)cc1 ZINC001599579569 998505039 /nfs/dbraw/zinc/50/50/39/998505039.db2.gz COUPUVIOJSZWQZ-AWEZNQCLSA-N -1 0 334.441 3.531 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)COc1ccccc1C(C)C ZINC001599378107 998522085 /nfs/dbraw/zinc/52/20/85/998522085.db2.gz GOIUOILTWUHXPR-UHFFFAOYSA-N -1 0 344.363 3.501 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)c1cccc2ccsc21 ZINC001599378623 998530355 /nfs/dbraw/zinc/53/03/55/998530355.db2.gz CHNGXDQHJZEGGA-UHFFFAOYSA-N -1 0 328.345 3.827 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)c1cc(C(C)(C)C)oc1C ZINC001599378964 998536353 /nfs/dbraw/zinc/53/63/53/998536353.db2.gz GVBUDJHWERYAEU-UHFFFAOYSA-N -1 0 332.352 3.812 20 0 EHADRM COc1ccc(F)cc1C(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-] ZINC001599582171 998549436 /nfs/dbraw/zinc/54/94/36/998549436.db2.gz LTCVCSLMQNUBCP-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM COC(=O)c1ccc(OCc2cc(C(=O)[O-])sc2C)cc1Cl ZINC001598985994 998696852 /nfs/dbraw/zinc/69/68/52/998696852.db2.gz WPSLTLQXAAFXTG-UHFFFAOYSA-N -1 0 340.784 3.774 20 0 EHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1Nc1ccc(SC(F)(F)F)nc1 ZINC001594185113 998717606 /nfs/dbraw/zinc/71/76/06/998717606.db2.gz MYTDNEPEHGAQNH-KKZNHRDASA-N -1 0 334.363 3.995 20 0 EHADRM COC(=O)c1cccc(CNc2cccc(CCC(=O)[O-])c2)c1Cl ZINC001598995130 998772485 /nfs/dbraw/zinc/77/24/85/998772485.db2.gz ZYUPKGUXNHRNBB-UHFFFAOYSA-N -1 0 347.798 3.756 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)Nc2cccc3cc(C(=O)[O-])sc32)CCC1=O ZINC001594203018 998781745 /nfs/dbraw/zinc/78/17/45/998781745.db2.gz DAVDYVVKOBTHTM-KOLCDFICSA-N -1 0 331.393 3.543 20 0 EHADRM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1C(=O)CCc1ccc(Cl)c(F)c1 ZINC001594205400 998788432 /nfs/dbraw/zinc/78/84/32/998788432.db2.gz COYZUKMSBIDSDM-QWRGUYRKSA-N -1 0 341.810 3.512 20 0 EHADRM COC(=O)c1cccc([C@@H](Nc2cccc(C(C)C)c2)C(=O)[O-])c1 ZINC001598997317 998791930 /nfs/dbraw/zinc/79/19/30/998791930.db2.gz YWCMJJBDUAVQMT-QGZVFWFLSA-N -1 0 327.380 3.834 20 0 EHADRM C[C@H]1CC(C)(C)c2cccc(NC(=O)N3C[C@@H](C)[C@H](C(=O)[O-])C3)c21 ZINC001594216708 998833552 /nfs/dbraw/zinc/83/35/52/998833552.db2.gz HEDQOFPOCJZSFX-YNEHKIRRSA-N -1 0 330.428 3.656 20 0 EHADRM C[C@H]1C[C@H](C(=O)N2CCCC[C@H]2c2ccc(C(=O)[O-])n2C)C[C@@H](C)C1 ZINC001594220163 998846450 /nfs/dbraw/zinc/84/64/50/998846450.db2.gz XBXWCMRUANBYLX-HWMZRRJGSA-N -1 0 346.471 3.849 20 0 EHADRM C[C@@H]1C[C@H](CC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)CC(C)(C)C1 ZINC001594230963 998877373 /nfs/dbraw/zinc/87/73/73/998877373.db2.gz AAKROIZBVJKHRV-PBFPGSCMSA-N -1 0 335.419 3.920 20 0 EHADRM COC(=O)c1cnc(Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c(Cl)c1 ZINC001599009609 998886080 /nfs/dbraw/zinc/88/60/80/998886080.db2.gz QQFYQCAITMIFHP-JTQLQIEISA-N -1 0 348.786 3.528 20 0 EHADRM C[C@H]1C[C@@H](CCNC(=O)c2cccc(CC(=O)[O-])c2)CC(C)(C)C1 ZINC001594236676 998902779 /nfs/dbraw/zinc/90/27/79/998902779.db2.gz SKTYFJBUVDIUJE-GOEBONIOSA-N -1 0 331.456 3.896 20 0 EHADRM C[C@H](NC(=O)C1CC(C(=O)[O-])C1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000683339998 1016262965 /nfs/dbraw/zinc/26/29/65/1016262965.db2.gz CEEONELXHNWGEY-CDEQTRAXSA-N -1 0 341.382 3.781 20 0 EHADRM C[C@@H]1CC(F)(F)CCN1C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC001594244996 998933872 /nfs/dbraw/zinc/93/38/72/998933872.db2.gz CUHFBAZCSPTVPI-MRVPVSSYSA-N -1 0 332.734 3.690 20 0 EHADRM CO[C@H](C(=O)[O-])c1ccccc1OCCOc1ccc(Cl)cc1 ZINC001599026021 999016740 /nfs/dbraw/zinc/01/67/40/999016740.db2.gz HVFCYYKJKSRRBW-INIZCTEOSA-N -1 0 336.771 3.570 20 0 EHADRM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccsc1CC(=O)[O-] ZINC001594266038 999031800 /nfs/dbraw/zinc/03/18/00/999031800.db2.gz LNPHBWHXBRSQHX-DGCLKSJQSA-N -1 0 347.411 3.533 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)N(C(=O)Nc2ccc(CC(=O)[O-])cc2)C1 ZINC001594269674 999042856 /nfs/dbraw/zinc/04/28/56/999042856.db2.gz MDMFGPQQEPUBNE-RDTXWAMCSA-N -1 0 338.407 3.929 20 0 EHADRM C[C@H]1C[C@@H](c2cccnc2)N(C(=O)Nc2cc(C(=O)[O-])ccc2F)C1 ZINC001594270144 999043860 /nfs/dbraw/zinc/04/38/60/999043860.db2.gz QUCKWXIDJAWSGR-ZBEGNZNMSA-N -1 0 343.358 3.534 20 0 EHADRM C[C@H]1C[C@@H](c2cccnc2)N(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC001594272492 999054389 /nfs/dbraw/zinc/05/43/89/999054389.db2.gz QKXXHODVNXLGAC-ZBEGNZNMSA-N -1 0 343.358 3.534 20 0 EHADRM C[C@@H]1CC2(CCC2)CN1C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001594283975 999100430 /nfs/dbraw/zinc/10/04/30/999100430.db2.gz NCDJDNGUFNSHNU-SECBINFHSA-N -1 0 340.782 3.974 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)N(Cc2ccccc2)C(C)(C)C(=O)[O-])C[C@H]1C ZINC001594291981 999126282 /nfs/dbraw/zinc/12/62/82/999126282.db2.gz MSKPNKDLQNAYCI-BFYDXBDKSA-N -1 0 331.456 3.951 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC001594292255 999127063 /nfs/dbraw/zinc/12/70/63/999127063.db2.gz OSWHPZKTOWNFOC-GOMXZESMSA-N -1 0 341.810 3.793 20 0 EHADRM C[C@H]1CC[C@@H](CC(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)C1 ZINC001594301719 999164923 /nfs/dbraw/zinc/16/49/23/999164923.db2.gz FWZHQXQEIHJVIB-DOTOQJQBSA-N -1 0 343.467 3.992 20 0 EHADRM C[C@H]1CC[C@H](CC(=O)Nc2cc(Br)ccc2C(=O)[O-])C1 ZINC001594302264 999168661 /nfs/dbraw/zinc/16/86/61/999168661.db2.gz NEUFRPWQFFCTSA-UWVGGRQHSA-N -1 0 340.217 3.912 20 0 EHADRM CO[C@@H](COC(=O)C12CCC(C(=O)[O-])(CC1)CC2)C1CCCCC1 ZINC001599055008 999223311 /nfs/dbraw/zinc/22/33/11/999223311.db2.gz BSAUWIAEBUAZMN-MNNVXMFVSA-N -1 0 338.444 3.550 20 0 EHADRM CO[C@H](CNc1cc(C(=O)[O-])cc2cccnc21)C1CCCCC1 ZINC001599056818 999236007 /nfs/dbraw/zinc/23/60/07/999236007.db2.gz ZYQVWAHJLYBCQW-QGZVFWFLSA-N -1 0 328.412 3.940 20 0 EHADRM C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C1 ZINC001594330207 999269242 /nfs/dbraw/zinc/26/92/42/999269242.db2.gz LOTURAUJYJQAEU-MVJTYMMSSA-N -1 0 344.455 3.813 20 0 EHADRM C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)Nc2cc(C(=O)[O-])ccn2)C1 ZINC001594330439 999270258 /nfs/dbraw/zinc/27/02/58/999270258.db2.gz PPXJXCRDRKCKRE-BBRMVZONSA-N -1 0 339.395 3.785 20 0 EHADRM CO[C@H](c1ccccc1F)[C@@H](C)Nc1nc(Cl)c(C(=O)[O-])s1 ZINC001599063051 999279583 /nfs/dbraw/zinc/27/95/83/999279583.db2.gz GRRRFXFFCYDWGC-XCBNKYQSSA-N -1 0 344.795 3.822 20 0 EHADRM C[C@@H]1CCC[C@H](CNC(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)O1 ZINC001594345311 999306420 /nfs/dbraw/zinc/30/64/20/999306420.db2.gz AADNQAQPCXVVAT-IUODEOHRSA-N -1 0 342.395 3.617 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(OCCC(=O)[O-])cc1)[C@@H]1CCC[C@H](C)C1 ZINC001594354774 999339995 /nfs/dbraw/zinc/33/99/95/999339995.db2.gz FZDIBHRMBIVDJO-SOUVJXGZSA-N -1 0 348.443 3.876 20 0 EHADRM C[C@H](NC(=O)N1CCc2cc(C(=O)[O-])ccc2C1)[C@H]1CCC[C@H](C)C1 ZINC001594356348 999346015 /nfs/dbraw/zinc/34/60/15/999346015.db2.gz VFOBPEBKXPMQTH-KKUMJFAQSA-N -1 0 344.455 3.667 20 0 EHADRM C[C@H]1CCC[C@@H]1CC(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC001594360491 999363168 /nfs/dbraw/zinc/36/31/68/999363168.db2.gz VUWCZKWFUKDOHG-VHSXEESVSA-N -1 0 333.413 3.601 20 0 EHADRM C[C@@H]1CCCC[C@@H]1C(=O)Oc1ccc(Br)cc1C(=O)[O-] ZINC001594364325 999376770 /nfs/dbraw/zinc/37/67/70/999376770.db2.gz YIDHOOLOEXIIDW-KOLCDFICSA-N -1 0 341.201 3.879 20 0 EHADRM C[C@@H]1CCCN1C(=O)CCSCc1cc(C(=O)[O-])ccc1Cl ZINC001594389638 999476903 /nfs/dbraw/zinc/47/69/03/999476903.db2.gz SRHNIOOOBIARSD-LLVKDONJSA-N -1 0 341.860 3.672 20 0 EHADRM C[C@@H]1CCN(C(=O)CCc2ccc(C(=O)[O-])cc2)c2c(O)cccc21 ZINC001594401153 999501520 /nfs/dbraw/zinc/50/15/20/999501520.db2.gz UUUISGAAEVIUMK-CYBMUJFWSA-N -1 0 339.391 3.563 20 0 EHADRM C[C@H]1CCc2c(C(=O)NCc3ccc(C(=O)[O-])cc3F)csc2C1 ZINC001594442664 999630084 /nfs/dbraw/zinc/63/00/84/999630084.db2.gz YCMNJIZTBJRGLZ-JTQLQIEISA-N -1 0 347.411 3.640 20 0 EHADRM CC(C)c1ccc(NC(=O)c2cn3c(n2)CC[C@H](C)C3)c(C(=O)[O-])c1 ZINC001594448962 999645526 /nfs/dbraw/zinc/64/55/26/999645526.db2.gz XHOWGHFGDVFOAG-LBPRGKRZSA-N -1 0 341.411 3.539 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)NCC3(CC(=O)[O-])CCCC3)cc2C1 ZINC001594450543 999647825 /nfs/dbraw/zinc/64/78/25/999647825.db2.gz HQDSRQUPMKIJPM-GFCCVEGCSA-N -1 0 335.469 3.638 20 0 EHADRM C[C@@H](NC(=O)c1ccccc1C(C)(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655577139 1016396941 /nfs/dbraw/zinc/39/69/41/1016396941.db2.gz YKHKYRAOCGZNOT-UHOFOFEASA-N -1 0 331.456 3.849 20 0 EHADRM Cc1nc2ccc(CN[C@@H](C)c3ncc(C(=O)[O-])s3)cc2s1 ZINC000647650080 1016673933 /nfs/dbraw/zinc/67/39/33/1016673933.db2.gz HSUWAIHSNPITQD-QMMMGPOBSA-N -1 0 333.438 3.610 20 0 EHADRM Cc1ccc(C(C)C)cc1OCC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000236627083 1016683495 /nfs/dbraw/zinc/68/34/95/1016683495.db2.gz FFYBXGRGNOBRQT-MRXNPFEDSA-N -1 0 347.455 3.601 20 0 EHADRM Cn1c2ccc(NC(=O)c3cc(F)c([O-])c(F)c3)cc2nc1C1CC1 ZINC000180194670 1016891338 /nfs/dbraw/zinc/89/13/38/1016891338.db2.gz GUAYMQNOFZJVMS-UHFFFAOYSA-N -1 0 343.333 3.687 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655584474 1016930132 /nfs/dbraw/zinc/93/01/32/1016930132.db2.gz KGCADIKEWQZNHG-NRSFXHEJSA-N -1 0 345.483 3.753 20 0 EHADRM CCC(CC)[C@@H](NC(=O)N(C)CCCC(=O)[O-])c1cccs1 ZINC000414615678 1017048258 /nfs/dbraw/zinc/04/82/58/1017048258.db2.gz PQZBGCOCHJHZDB-OAHLLOKOSA-N -1 0 326.462 3.732 20 0 EHADRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(C)c(C(C)=O)c1 ZINC000655590382 1017061921 /nfs/dbraw/zinc/06/19/21/1017061921.db2.gz XAWRYHDJHWSPEW-UHFFFAOYSA-N -1 0 347.436 3.624 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)N[C@@H](CC1CCCC1)c1ccccc1 ZINC000414620145 1017069438 /nfs/dbraw/zinc/06/94/38/1017069438.db2.gz DTCNGFJBPLQVSO-KRWDZBQOSA-N -1 0 332.444 3.814 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)c2cc(F)c(F)c([O-])c2F)c1 ZINC000183547677 1032179125 /nfs/dbraw/zinc/17/91/25/1032179125.db2.gz PQZZSDLGUDYUOT-QMMMGPOBSA-N -1 0 325.286 3.769 20 0 EHADRM C[C@@H](NC(=O)c1cc(C(=O)[O-])co1)c1cccc(Cl)c1Cl ZINC000183794183 1032206612 /nfs/dbraw/zinc/20/66/12/1032206612.db2.gz GUMAAVAEFBAPQN-SSDOTTSWSA-N -1 0 328.151 3.776 20 0 EHADRM CCc1ccc(O)c(C(=O)N2C[C@H](C)OC[C@H]2c2ccccc2)c1 ZINC000536724806 1032216959 /nfs/dbraw/zinc/21/69/59/1032216959.db2.gz PYYMNWNDKXJTJS-KSSFIOAISA-N -1 0 325.408 3.557 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)c1occc1-c1ccccc1)C(=O)[O-] ZINC000449137008 1032231696 /nfs/dbraw/zinc/23/16/96/1032231696.db2.gz WVBLVJDYPSYKEJ-HNNXBMFYSA-N -1 0 329.396 3.956 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 ZINC001211616305 1032278093 /nfs/dbraw/zinc/27/80/93/1032278093.db2.gz HBUCCJQOHLBTMY-VIFPVBQESA-N -1 0 344.436 3.722 20 0 EHADRM COC(=O)c1cccc2nc(Nc3ccc(C(=O)[O-])cc3C)sc21 ZINC001211616807 1032287062 /nfs/dbraw/zinc/28/70/62/1032287062.db2.gz XTZIOIFVOOQKFD-UHFFFAOYSA-N -1 0 342.376 3.833 20 0 EHADRM Cc1cc([C@@H](C)N(C)Cc2nc(-c3cccs3)no2)oc1C(=O)[O-] ZINC000568770067 1032312801 /nfs/dbraw/zinc/31/28/01/1032312801.db2.gz QEMUYQJVAQUGDL-SNVBAGLBSA-N -1 0 347.396 3.591 20 0 EHADRM Cc1sc(C2(C(=O)[O-])CCOCC2)nc1-c1ccc(C)c(C)c1 ZINC000905002156 1032316415 /nfs/dbraw/zinc/31/64/15/1032316415.db2.gz MXJPHRRXNHHVDZ-UHFFFAOYSA-N -1 0 331.437 3.868 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2ncc(Cl)cc2C)c(C)c1 ZINC000461220652 1032337522 /nfs/dbraw/zinc/33/75/22/1032337522.db2.gz UMSVWDKGPSNHFQ-UHFFFAOYSA-N -1 0 340.832 3.551 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)N[C@@H]1CCc2cccc3cccc1c32 ZINC000905126562 1032356567 /nfs/dbraw/zinc/35/65/67/1032356567.db2.gz RFMLMFFCQSVKBW-JFIYKMOQSA-N -1 0 335.403 3.610 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2nnc(C3CC3)s2)cc1 ZINC000083955520 1032409055 /nfs/dbraw/zinc/40/90/55/1032409055.db2.gz GYVXIEIDMCODCM-JTQLQIEISA-N -1 0 337.470 3.730 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000414628901 1017081818 /nfs/dbraw/zinc/08/18/18/1017081818.db2.gz NHJXNYSBBJJNEK-NJZAAPMLSA-N -1 0 338.835 3.543 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1ccnc(F)c1Br ZINC001211618793 1032464914 /nfs/dbraw/zinc/46/49/14/1032464914.db2.gz RKGBBAYSXVRXQX-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1ccc(F)nc1Br ZINC001211618647 1032472799 /nfs/dbraw/zinc/47/27/99/1032472799.db2.gz KMAJWEOKUKYAKD-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CCOc1cccc(C(=O)[O-])c1 ZINC000584416178 1032480151 /nfs/dbraw/zinc/48/01/51/1032480151.db2.gz QAHRVMIZBDVOSW-LBPRGKRZSA-N -1 0 335.350 3.735 20 0 EHADRM C/C=C\C[C@@H](NC(=O)Nc1ccc2c(ccn2CCC)c1)C(=O)[O-] ZINC000579912009 1017098476 /nfs/dbraw/zinc/09/84/76/1017098476.db2.gz SDQONOKJUNLEGC-UYWPIULCSA-N -1 0 329.400 3.592 20 0 EHADRM CSc1ccc(C)c(NC(=O)N=c2[n-]nc(CC(C)C)s2)c1 ZINC000537234766 1032572065 /nfs/dbraw/zinc/57/20/65/1032572065.db2.gz CJWHTXJPTVPZPZ-UHFFFAOYSA-N -1 0 336.486 3.833 20 0 EHADRM CCc1ccc(C2CCN(C(=O)[C@H](C)S[C@H](C)C(=O)[O-])CC2)cc1 ZINC000602013905 1032581672 /nfs/dbraw/zinc/58/16/72/1032581672.db2.gz ZLTCMPLPVMNXEQ-UONOGXRCSA-N -1 0 349.496 3.550 20 0 EHADRM CSc1cc(NC(=O)[C@H](C)S[C@H](C)C(=O)[O-])ccc1Cl ZINC000601999203 1032589630 /nfs/dbraw/zinc/58/96/30/1032589630.db2.gz MEXAQOIJENAFHW-JGVFFNPUSA-N -1 0 333.862 3.595 20 0 EHADRM CCc1nn(C)cc1[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000091021630 1032618173 /nfs/dbraw/zinc/61/81/73/1032618173.db2.gz UUSWGMMNRAVCNT-UHFFFAOYSA-N -1 0 349.843 3.590 20 0 EHADRM CCOCc1cccc([N-]S(=O)(=O)c2cc(C)c(C)s2)c1 ZINC000091015573 1032615923 /nfs/dbraw/zinc/61/59/23/1032615923.db2.gz PVWRGYNBEJEWAJ-UHFFFAOYSA-N -1 0 325.455 3.702 20 0 EHADRM Cc1c(CSC(C)C)cccc1NCc1cc(C(=O)[O-])nn1C ZINC000602062508 1032620147 /nfs/dbraw/zinc/62/01/47/1032620147.db2.gz BCENDKBNADTZAV-UHFFFAOYSA-N -1 0 333.457 3.680 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N2CCCC[C@@H]2C)s1)c1ccccc1 ZINC000592938316 1032622705 /nfs/dbraw/zinc/62/27/05/1032622705.db2.gz UIOMQSXJTYLMGH-DZGCQCFKSA-N -1 0 344.484 3.908 20 0 EHADRM O=C([N-]S(=O)(=O)/C=C/c1ccccc1)c1ccc2sccc2c1 ZINC000761004453 1032630891 /nfs/dbraw/zinc/63/08/91/1032630891.db2.gz NSPICLHCHMAGFF-PKNBQFBNSA-N -1 0 343.429 3.632 20 0 EHADRM CC(C)(C)OC(=O)NC(C)(C)CC(=O)Nc1cccc(Cl)c1[O-] ZINC000172404404 1032663794 /nfs/dbraw/zinc/66/37/94/1032663794.db2.gz XDAHHMTVDRKLEX-UHFFFAOYSA-N -1 0 342.823 3.678 20 0 EHADRM CC(C)(CN=c1[n-]nc(C2CCOCC2)s1)Cc1ccccc1 ZINC000549143923 1017336986 /nfs/dbraw/zinc/33/69/86/1017336986.db2.gz UGDITLKVVFUNPL-UHFFFAOYSA-N -1 0 331.485 3.535 20 0 EHADRM Cc1ccc(-c2n[n-]c(=NCc3cnc(CC(C)C)s3)o2)cc1 ZINC000650240009 1017357026 /nfs/dbraw/zinc/35/70/26/1017357026.db2.gz LVCYZTJOOHJSGA-UHFFFAOYSA-N -1 0 328.441 3.734 20 0 EHADRM Oc1ccc(-c2noc(CCCn3cnc4ccccc43)n2)c(F)c1 ZINC000683592316 1017552496 /nfs/dbraw/zinc/55/24/96/1017552496.db2.gz ZXAIDTWAHZPRTK-UHFFFAOYSA-N -1 0 338.342 3.564 20 0 EHADRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccc2ccccc2n1 ZINC000547954349 1017589367 /nfs/dbraw/zinc/58/93/67/1017589367.db2.gz AERNJDPQGSSKII-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM Cc1nc(Nc2cccc(C(=O)[O-])c2F)ccc1Br ZINC001210238435 1017643737 /nfs/dbraw/zinc/64/37/37/1017643737.db2.gz DSAMHWZASSRVTP-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)s1 ZINC000064938312 1017770626 /nfs/dbraw/zinc/77/06/26/1017770626.db2.gz RGYSHTOACWPZCB-UHFFFAOYSA-N -1 0 337.466 3.784 20 0 EHADRM CC(C)(CNC(=O)c1cc(F)c([O-])c(Cl)c1)[C@@H]1CCCCO1 ZINC000683626394 1017787075 /nfs/dbraw/zinc/78/70/75/1017787075.db2.gz GSFMFNWZFSHMLM-ZDUSSCGKSA-N -1 0 329.799 3.510 20 0 EHADRM CC(C)[C@H](CNC(=O)N1CC2(CCCC2)[C@H]1c1ccccc1)C(=O)[O-] ZINC000655897099 1017875237 /nfs/dbraw/zinc/87/52/37/1017875237.db2.gz RTRJLQXZKVRIDM-DLBZAZTESA-N -1 0 344.455 3.670 20 0 EHADRM Cc1ccccc1C(C)(C)NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655900026 1017877622 /nfs/dbraw/zinc/87/76/22/1017877622.db2.gz NCFNFSQZWXVBIS-VNQPRFMTSA-N -1 0 346.471 3.665 20 0 EHADRM CCCCN(CCCC)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655904695 1017893592 /nfs/dbraw/zinc/89/35/92/1017893592.db2.gz LOQAPJSZTZXBDI-QLFBSQMISA-N -1 0 326.481 3.734 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@H]1CC(C)(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655908491 1017903847 /nfs/dbraw/zinc/90/38/47/1017903847.db2.gz XWKDTANMLVQQIN-ZQDZILKHSA-N -1 0 338.492 3.732 20 0 EHADRM C[C@H]1C(=O)CC[C@H](C(=O)Nc2ccc3[n-]c(=S)oc3c2)C1(C)C ZINC000275708987 1018212215 /nfs/dbraw/zinc/21/22/15/1018212215.db2.gz UHMCYCVDGGPMQD-GXSJLCMTSA-N -1 0 332.425 3.696 20 0 EHADRM C[C@H]1c2ccc(F)cc2CCN1C(=O)N=c1[n-]nc(C(C)(C)C)s1 ZINC000606557445 1032750011 /nfs/dbraw/zinc/75/00/11/1032750011.db2.gz VHYZYCIXGKANEG-JTQLQIEISA-N -1 0 348.447 3.548 20 0 EHADRM Cc1ncn(CCCCc2noc(-c3cc(Cl)ccc3[O-])n2)c1C ZINC000656037994 1018311349 /nfs/dbraw/zinc/31/13/49/1018311349.db2.gz PTKMMZINMBSGPX-UHFFFAOYSA-N -1 0 346.818 3.932 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000653297316 1018356617 /nfs/dbraw/zinc/35/66/17/1018356617.db2.gz NQXVTQIMTHGIPM-WCQYABFASA-N -1 0 343.345 3.569 20 0 EHADRM C[C@H](NC(=O)c1cc(F)c(F)cc1C(=O)[O-])[C@@H]1CC2CCC1CC2 ZINC000394249716 1018382761 /nfs/dbraw/zinc/38/27/61/1018382761.db2.gz ZQKRVHSYAPJLKQ-XKGSQUFQSA-N -1 0 337.366 3.608 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1cccc2c1ccn2C ZINC000548031360 1018405118 /nfs/dbraw/zinc/40/51/18/1018405118.db2.gz NMPBDIBIBYJYQK-UHFFFAOYSA-N -1 0 332.450 3.701 20 0 EHADRM COc1cc(C(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)cc(OC)c1O ZINC000163808772 1018527973 /nfs/dbraw/zinc/52/79/73/1018527973.db2.gz XYYBIGDYICBVJZ-GXTWGEPZSA-N -1 0 345.395 3.616 20 0 EHADRM CC(C)Cc1nc(C(=O)Nc2nnc(-c3ccccn3)s2)cs1 ZINC000063595828 1018565145 /nfs/dbraw/zinc/56/51/45/1018565145.db2.gz SOQRVUGMJVVTNT-UHFFFAOYSA-N -1 0 345.453 3.507 20 0 EHADRM C/C(=C/C(=O)N[C@H](CC(=O)[O-])c1ccccc1C)c1cccc(F)c1 ZINC000236663623 1018583928 /nfs/dbraw/zinc/58/39/28/1018583928.db2.gz PYDYGADEPWITHU-RXEWJAMOSA-N -1 0 341.382 3.870 20 0 EHADRM CC(C)(CC(=O)NCC1(c2cccc(F)c2)CCCCC1)C(=O)[O-] ZINC000580238915 1018843118 /nfs/dbraw/zinc/84/31/18/1018843118.db2.gz BYLAJZSSKZTYMR-UHFFFAOYSA-N -1 0 335.419 3.645 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cccc(Oc2ccccc2)c1 ZINC000237050466 1018860871 /nfs/dbraw/zinc/86/08/71/1018860871.db2.gz GKAWWZOUTXJMNQ-IBGZPJMESA-N -1 0 327.380 3.852 20 0 EHADRM CSc1ccc(C(=O)Nc2n[nH]c(-c3ccc(Cl)cc3)n2)o1 ZINC000602325572 1032793186 /nfs/dbraw/zinc/79/31/86/1032793186.db2.gz UQEBMULMKIRCHV-UHFFFAOYSA-N -1 0 334.788 3.692 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)Nc1ccc(C)c(-c2ncco2)c1)C1CC1 ZINC000580271896 1018901981 /nfs/dbraw/zinc/90/19/81/1018901981.db2.gz BAFMJDVQZVFQMY-OAHLLOKOSA-N -1 0 343.383 3.510 20 0 EHADRM Cc1cc(C(=O)N(C)C2CCCCCCC2)cc(C)c1OCC(=O)[O-] ZINC000237061175 1018924530 /nfs/dbraw/zinc/92/45/30/1018924530.db2.gz NSFVMPJFZNUALH-UHFFFAOYSA-N -1 0 347.455 3.952 20 0 EHADRM Cn1nc(Br)c2cccc(Nc3ccccc3C(=O)[O-])c21 ZINC001210968988 1019149888 /nfs/dbraw/zinc/14/98/88/1019149888.db2.gz OKLNTWUPNKWSNV-UHFFFAOYSA-N -1 0 346.184 3.778 20 0 EHADRM COc1ccc(CNc2ccc(C)c(C(=O)[O-])c2)cc1OC(F)F ZINC000340674145 1019153266 /nfs/dbraw/zinc/15/32/66/1019153266.db2.gz FGDATSFFIHRIDX-UHFFFAOYSA-N -1 0 337.322 3.915 20 0 EHADRM COc1cc(OC)c(OC)cc1CNc1cc(C(=O)[O-])c(C)cc1C ZINC000340675714 1019156100 /nfs/dbraw/zinc/15/61/00/1019156100.db2.gz KAWWXSIVRFLLBT-UHFFFAOYSA-N -1 0 345.395 3.640 20 0 EHADRM Cc1ccc(NCc2c[nH]nc2-c2ccc(F)cc2)cc1C(=O)[O-] ZINC000340675560 1019156533 /nfs/dbraw/zinc/15/65/33/1019156533.db2.gz HUXAAXJVHJMBEZ-UHFFFAOYSA-N -1 0 325.343 3.835 20 0 EHADRM CCSc1ccc(Cl)cc1[N-]C(=S)NCCCC(=O)OC ZINC000729161868 1019212675 /nfs/dbraw/zinc/21/26/75/1019212675.db2.gz IHPCEFQZMWKRHP-UHFFFAOYSA-N -1 0 346.905 3.692 20 0 EHADRM Cc1c[nH]c2c1cccc2NC1([P@@](=O)([O-])O)Cc2ccccc2C1 ZINC001167937209 1019240880 /nfs/dbraw/zinc/24/08/80/1019240880.db2.gz UKDBUUXEQRCGIF-UHFFFAOYSA-N -1 0 342.335 3.561 20 0 EHADRM O=[P@@]([O-])(O)C1(Nc2ccc3ccoc3c2)Cc2ccccc2C1 ZINC001167937141 1019242894 /nfs/dbraw/zinc/24/28/94/1019242894.db2.gz TYBVAUFXAYHPLT-UHFFFAOYSA-N -1 0 329.292 3.518 20 0 EHADRM CCCN(C(=O)NCc1ccc(C)cc1SC)[C@H](CC)C(=O)[O-] ZINC000580396106 1019267148 /nfs/dbraw/zinc/26/71/48/1019267148.db2.gz ZEEWEBDEZQJBAE-CQSZACIVSA-N -1 0 338.473 3.502 20 0 EHADRM CCc1cccc(CC)c1NC1([P@@](=O)([O-])O)Cc2ccccc2C1 ZINC001167939888 1019297746 /nfs/dbraw/zinc/29/77/46/1019297746.db2.gz YXRJVZGUZJYLTO-UHFFFAOYSA-N -1 0 345.379 3.896 20 0 EHADRM COc1nc(C(F)(F)F)ccc1-c1cc(C)ccc1CC(=O)[O-] ZINC000568265956 1019306636 /nfs/dbraw/zinc/30/66/36/1019306636.db2.gz GOFLHLNVWPADSQ-UHFFFAOYSA-N -1 0 325.286 3.712 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000606780752 1032828376 /nfs/dbraw/zinc/82/83/76/1032828376.db2.gz VXHGYYBWLWCKAI-AWEZNQCLSA-N -1 0 331.485 3.711 20 0 EHADRM CO[C@@H](C)c1nc(=NC[C@H](C)c2ccc(C(F)(F)F)cc2)s[n-]1 ZINC000509924390 1019448945 /nfs/dbraw/zinc/44/89/45/1019448945.db2.gz IERWMQSFPONZLG-UWVGGRQHSA-N -1 0 345.390 3.902 20 0 EHADRM O=C([O-])CCCCC(=O)NCC1(c2cccc(Cl)c2)CCCC1 ZINC000263335101 1019498600 /nfs/dbraw/zinc/49/86/00/1019498600.db2.gz WBMLTJIAJRRGRO-UHFFFAOYSA-N -1 0 337.847 3.913 20 0 EHADRM CCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000261964760 1019503378 /nfs/dbraw/zinc/50/33/78/1019503378.db2.gz AXQUCOBTTPRVMU-MNOVXSKESA-N -1 0 345.317 3.544 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2ccc(C(F)F)cc2F)C1 ZINC000656237885 1019514423 /nfs/dbraw/zinc/51/44/23/1019514423.db2.gz HBNAJRFXHHYCAF-NSHDSACASA-N -1 0 343.345 3.726 20 0 EHADRM CC(C)c1cc(Br)ccc1NC(=O)[C@H]1CC[C@@H]1C(=O)[O-] ZINC000262044162 1019522436 /nfs/dbraw/zinc/52/24/36/1019522436.db2.gz HWYYCJDCIXHYQZ-QWRGUYRKSA-N -1 0 340.217 3.622 20 0 EHADRM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1C ZINC000071415392 1019619167 /nfs/dbraw/zinc/61/91/67/1019619167.db2.gz BHIKZZYUFBDCBF-UHFFFAOYSA-N -1 0 345.829 3.517 20 0 EHADRM C[C@@H](CC(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1)C1CCCCC1 ZINC000580568121 1019654121 /nfs/dbraw/zinc/65/41/21/1019654121.db2.gz WCZQKPLGACSHCK-ZDUSSCGKSA-N -1 0 344.455 3.880 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)c1F ZINC000513447271 1019669101 /nfs/dbraw/zinc/66/91/01/1019669101.db2.gz KYGXDMKCDKMSRM-UHFFFAOYSA-N -1 0 347.415 3.866 20 0 EHADRM C[C@H]1CC[C@]2(CCN(C(=O)N=c3nc(-c4ccccc4)[n-]s3)C2)C1 ZINC000513453288 1019702204 /nfs/dbraw/zinc/70/22/04/1019702204.db2.gz TXBMEZOLWJZKKC-UGSOOPFHSA-N -1 0 342.468 3.671 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2ccc(-c3ccc(F)cc3)s2)C1 ZINC000262727425 1019716562 /nfs/dbraw/zinc/71/65/62/1019716562.db2.gz TUKSGRLXTXQANU-YPMHNXCESA-N -1 0 333.384 3.537 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCCC2CCOCC2)cc1Cl ZINC000262935365 1019773699 /nfs/dbraw/zinc/77/36/99/1019773699.db2.gz BTRSGUUFNYBFAF-UHFFFAOYSA-N -1 0 325.792 3.574 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)NCCCCc2ccc(Cl)s2)CC1 ZINC000263015659 1019790115 /nfs/dbraw/zinc/79/01/15/1019790115.db2.gz XPRNXTZTNJZEMM-HAQNSBGRSA-N -1 0 343.876 3.731 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)n[nH]c1C1CC1 ZINC000760322846 1032855037 /nfs/dbraw/zinc/85/50/37/1032855037.db2.gz NLGOUBLBUKBWNB-UHFFFAOYSA-N -1 0 347.484 3.938 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000263156867 1019829783 /nfs/dbraw/zinc/82/97/83/1019829783.db2.gz ZLVWYFKXYOLOLR-UKRRQHHQSA-N -1 0 343.448 3.906 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)n[nH]c1C1CC1 ZINC000760322216 1032855929 /nfs/dbraw/zinc/85/59/29/1032855929.db2.gz XVITWHUCRLJOHN-UHFFFAOYSA-N -1 0 349.387 3.590 20 0 EHADRM Clc1ccc([N-]c2nnc(Br)s2)c(Cl)n1 ZINC001211271820 1019895810 /nfs/dbraw/zinc/89/58/10/1019895810.db2.gz RBCYASYEWFCZSD-UHFFFAOYSA-N -1 0 326.006 3.746 20 0 EHADRM CCOc1ccccc1[C@@H](CC)NC(=O)C1CCC(C(=O)[O-])CC1 ZINC000263518057 1019924309 /nfs/dbraw/zinc/92/43/09/1019924309.db2.gz FSLLKPGWOMDRHC-ZBCRRDGASA-N -1 0 333.428 3.544 20 0 EHADRM C[C@H]1C(=O)CC[C@H](C(=O)Nc2cc(F)cc(Cl)c2[O-])C1(C)C ZINC000275947527 1019962370 /nfs/dbraw/zinc/96/23/70/1019962370.db2.gz KBEPHHAJUJWUCF-WCBMZHEXSA-N -1 0 327.783 3.765 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(C3CCCCCC3)[nH]n2)c(C)o1 ZINC000345183912 1020035083 /nfs/dbraw/zinc/03/50/83/1020035083.db2.gz CNUCKDRCJCEAEI-UHFFFAOYSA-N -1 0 337.445 3.858 20 0 EHADRM C/C=C\c1ccc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1 ZINC000580913784 1020228006 /nfs/dbraw/zinc/22/80/06/1020228006.db2.gz KEICIPDUFNITPV-IHWYPQMZSA-N -1 0 345.420 3.538 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC000261718854 1020259284 /nfs/dbraw/zinc/25/92/84/1020259284.db2.gz QLLRJPWENHTXMN-QLFBSQMISA-N -1 0 331.412 3.695 20 0 EHADRM CCC(CC)(CC(=O)Nc1cc(C)ccc1Br)C(=O)[O-] ZINC000090064773 1020319446 /nfs/dbraw/zinc/31/94/46/1020319446.db2.gz RXXMFIUCQMYPIW-UHFFFAOYSA-N -1 0 342.233 3.977 20 0 EHADRM CCCOCCOc1cccc(-c2cc(C(=O)[O-])c(Cl)cn2)c1 ZINC000565843435 1020363314 /nfs/dbraw/zinc/36/33/14/1020363314.db2.gz OCANAHCGHWECGC-UHFFFAOYSA-N -1 0 335.787 3.906 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)N=c1ncn(C(C)(C)C)[n-]1)c1ccccc1 ZINC000345583914 1020374631 /nfs/dbraw/zinc/37/46/31/1020374631.db2.gz IAZBLDMRSJJCFE-OAHLLOKOSA-N -1 0 343.475 3.754 20 0 EHADRM O=C(CCSCc1ccccn1)Nc1cc(Cl)c([O-])cc1F ZINC000345636177 1020407467 /nfs/dbraw/zinc/40/74/67/1020407467.db2.gz WIPYKKQNOYEEAP-UHFFFAOYSA-N -1 0 340.807 3.842 20 0 EHADRM CC(C)C[C@H](C)n1nccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000581086266 1020413581 /nfs/dbraw/zinc/41/35/81/1020413581.db2.gz WAUFIGGYIVOKGC-NSHDSACASA-N -1 0 343.399 3.569 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCSc1ccccc1Cl ZINC000263504418 1020448096 /nfs/dbraw/zinc/44/80/96/1020448096.db2.gz LPTFPXLIJXWIPI-NEPJUHHUSA-N -1 0 341.860 3.534 20 0 EHADRM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000581253567 1020588312 /nfs/dbraw/zinc/58/83/12/1020588312.db2.gz JTHGBIBHLWWWGJ-HTWSVDAQSA-N -1 0 349.446 3.790 20 0 EHADRM CC1=CCCN(C(=O)c2cc(Cl)cc(Br)c2[O-])C1 ZINC000280713171 1020601210 /nfs/dbraw/zinc/60/12/10/1020601210.db2.gz GTZUOTXPHSHDTB-UHFFFAOYSA-N -1 0 330.609 3.600 20 0 EHADRM O=c1[n-]c(CN(Cc2ccccc2Cl)c2ccc(F)cc2)n[nH]1 ZINC000340921874 1020618001 /nfs/dbraw/zinc/61/80/01/1020618001.db2.gz UBAOLCIJWKWQLV-UHFFFAOYSA-N -1 0 332.766 3.510 20 0 EHADRM CCO[C@H](C)c1nc(Cc2nc(=O)c3sc(C)cc3[n-]2)cs1 ZINC000656491587 1020723907 /nfs/dbraw/zinc/72/39/07/1020723907.db2.gz PRBLXWREJRLGDH-SECBINFHSA-N -1 0 335.454 3.850 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccsc2)s1)Nc1cccc2cc[nH]c21 ZINC000548161064 1020757899 /nfs/dbraw/zinc/75/78/99/1020757899.db2.gz YXFLYIXMLCKPHB-UHFFFAOYSA-N -1 0 341.421 3.814 20 0 EHADRM C[C@](CCF)(NC(=O)Nc1cccc(-c2cccs2)c1)C(=O)[O-] ZINC000656504751 1020761496 /nfs/dbraw/zinc/76/14/96/1020761496.db2.gz JWDZIVCTWHRQSK-MRXNPFEDSA-N -1 0 336.388 3.740 20 0 EHADRM Cc1nccn1CCCC(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000760425749 1032942820 /nfs/dbraw/zinc/94/28/20/1032942820.db2.gz IWRRQINXQFMJLF-UHFFFAOYSA-N -1 0 328.199 3.623 20 0 EHADRM O=C([O-])CN(C(=O)NCc1ccc(Cl)c(Cl)c1)C1CCCC1 ZINC000656596912 1020979915 /nfs/dbraw/zinc/97/99/15/1020979915.db2.gz MSAJBYPWBLZLOG-UHFFFAOYSA-N -1 0 345.226 3.532 20 0 EHADRM CC(C)(C)c1nc(C[N@@H+]2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cs1 ZINC000581494236 1021016551 /nfs/dbraw/zinc/01/65/51/1021016551.db2.gz DAUKPCWJDVKIJQ-HZPDHXFCSA-N -1 0 344.480 3.741 20 0 EHADRM COc1ccc(-n2ncc(C)c2Nc2ccc(C(=O)[O-])cc2C)cc1 ZINC001211620845 1032950230 /nfs/dbraw/zinc/95/02/30/1032950230.db2.gz KDHNLJQLZYRJJC-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM CCC[C@@H](C)c1cc(NS(=O)(=O)Cc2ccccc2Cl)[nH]n1 ZINC000581527981 1021055483 /nfs/dbraw/zinc/05/54/83/1021055483.db2.gz NDFKAVFYEWICHW-LLVKDONJSA-N -1 0 341.864 3.909 20 0 EHADRM CO[C@H](CS(=O)(=O)[N-]c1ncsc1C(C)C)C1CCCCC1 ZINC000656628948 1021064179 /nfs/dbraw/zinc/06/41/79/1021064179.db2.gz HEKXMJHIZMQFQW-CYBMUJFWSA-N -1 0 346.518 3.604 20 0 EHADRM Cc1ccccc1-c1nc(CONC(=O)CCC2CCCCC2)no1 ZINC000760438166 1032953359 /nfs/dbraw/zinc/95/33/59/1032953359.db2.gz ILLSRLOKJFGAKD-UHFFFAOYSA-N -1 0 343.427 3.953 20 0 EHADRM COc1ccc(/C=C\C(=O)Nc2cccc(Cl)c2[O-])cc1OC ZINC000255322870 1021091486 /nfs/dbraw/zinc/09/14/86/1021091486.db2.gz QVUUKCINVHZDIQ-CLFYSBASSA-N -1 0 333.771 3.715 20 0 EHADRM COCc1cccc(NS(=O)(=O)c2cccc(C(F)F)c2)c1 ZINC000780371393 1021096467 /nfs/dbraw/zinc/09/64/67/1021096467.db2.gz XCAKJFMSYMCKLG-UHFFFAOYSA-N -1 0 327.352 3.571 20 0 EHADRM O=C(N[C@H]1CCCOc2c(F)cccc21)c1cccc(Cl)c1[O-] ZINC001266763543 1021113924 /nfs/dbraw/zinc/11/39/24/1021113924.db2.gz WLBVHCGBWBCCCP-AWEZNQCLSA-N -1 0 335.762 3.828 20 0 EHADRM C[C@@H](NC(=O)c1sc2cccc(F)c2c1Cl)[C@@H](C)C(=O)[O-] ZINC000909654019 1032958438 /nfs/dbraw/zinc/95/84/38/1032958438.db2.gz PNSGPNRXDXHSFG-RNFRBKRXSA-N -1 0 329.780 3.533 20 0 EHADRM Cc1ccc(N2CCOC2=O)cc1NC(=O)c1ccc([O-])c(Cl)c1 ZINC000075535569 1021167231 /nfs/dbraw/zinc/16/72/31/1021167231.db2.gz ZDPJMXKRQORFGS-UHFFFAOYSA-N -1 0 346.770 3.563 20 0 EHADRM C[C@]1(c2ccccc2)CCN(C(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000436791051 1021233726 /nfs/dbraw/zinc/23/37/26/1021233726.db2.gz PZXGVKNYPICWHJ-SFHVURJKSA-N -1 0 333.790 3.989 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(F)F)c1 ZINC000436795973 1021240357 /nfs/dbraw/zinc/24/03/57/1021240357.db2.gz HKLSWOOBEBUHIH-CVEARBPZSA-N -1 0 331.318 3.582 20 0 EHADRM O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1cc(F)cc(Cl)c1[O-] ZINC000436801535 1021249519 /nfs/dbraw/zinc/24/95/19/1021249519.db2.gz CLHMEKRWGVTMDL-BJJXKVORSA-N -1 0 331.774 3.500 20 0 EHADRM CC(C)C(=O)Nc1ccc(C(=O)Nc2ccc(F)c(F)c2[O-])cc1 ZINC001625987906 1032964176 /nfs/dbraw/zinc/96/41/76/1032964176.db2.gz HWXCBXMPTGSGQF-UHFFFAOYSA-N -1 0 334.322 3.517 20 0 EHADRM O=C(Nc1ccc(F)c(F)c1[O-])c1cnc(Cc2ccccc2)s1 ZINC001625988493 1032968601 /nfs/dbraw/zinc/96/86/01/1032968601.db2.gz YAWZCTGMJDHCIK-UHFFFAOYSA-N -1 0 346.358 3.970 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc(F)cc(Br)c2[O-])C[C@H](C)C1 ZINC000436862757 1021300585 /nfs/dbraw/zinc/30/05/85/1021300585.db2.gz IBXATZNYAISVKO-VHSXEESVSA-N -1 0 344.224 3.802 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)c1 ZINC000436875327 1021318489 /nfs/dbraw/zinc/31/84/89/1021318489.db2.gz CPUQWASTMBULIC-UHFFFAOYSA-N -1 0 335.363 3.546 20 0 EHADRM O=C([O-])c1ccc2c(c1)[C@@H](CNc1nc3ccccc3c(=O)[nH]1)CCC2 ZINC000656781900 1021321791 /nfs/dbraw/zinc/32/17/91/1021321791.db2.gz CIMLKSWCNNEHPZ-CQSZACIVSA-N -1 0 349.390 3.566 20 0 EHADRM O=C(Nc1ccc(-n2ccnc2)cc1)c1cc(F)c([O-])c(Cl)c1 ZINC000436857768 1021322620 /nfs/dbraw/zinc/32/26/20/1021322620.db2.gz XNVYFBUJQRPTTO-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM CSc1cc(C(=O)[O-])ccc1NC(=O)N(C)Cc1ccccc1 ZINC000548195903 1021336916 /nfs/dbraw/zinc/33/69/16/1021336916.db2.gz DWYNPMKPRJEUDV-UHFFFAOYSA-N -1 0 330.409 3.771 20 0 EHADRM Cc1ccc(-c2nc(NC(=O)c3cc(F)c([O-])c(Cl)c3)n[nH]2)cc1 ZINC000436888924 1021342278 /nfs/dbraw/zinc/34/22/78/1021342278.db2.gz VVEQBOLPBXTZPZ-UHFFFAOYSA-N -1 0 346.749 3.531 20 0 EHADRM Cn1nc2ccccc2c1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000436891420 1021346262 /nfs/dbraw/zinc/34/62/62/1021346262.db2.gz IMKQTPDMZJWIKD-UHFFFAOYSA-N -1 0 336.178 3.838 20 0 EHADRM CC(=O)c1cc([N-]S(=O)(=O)c2c(F)cccc2Cl)ccc1F ZINC000507566567 1021352854 /nfs/dbraw/zinc/35/28/54/1021352854.db2.gz LRVVRPDUPPXTNE-UHFFFAOYSA-N -1 0 345.754 3.622 20 0 EHADRM CCOc1ccc(NC(=O)c2c(C)ccc(C)c2C(=O)[O-])c(C)c1 ZINC000326569941 1032973407 /nfs/dbraw/zinc/97/34/07/1032973407.db2.gz GCMSWPCOIPNLGO-UHFFFAOYSA-N -1 0 327.380 3.961 20 0 EHADRM Cc1ccc(NC(=O)c2ccc([O-])c(Cl)c2)cc1NC(=O)N(C)C ZINC000436931094 1021367436 /nfs/dbraw/zinc/36/74/36/1021367436.db2.gz JDTZIKITHSGEEZ-UHFFFAOYSA-N -1 0 347.802 3.700 20 0 EHADRM CCOCc1ccccc1-c1noc(-c2ccc(OC)cc2O)n1 ZINC000436914525 1021370581 /nfs/dbraw/zinc/37/05/81/1021370581.db2.gz ZJTTUQJHIAJPRR-UHFFFAOYSA-N -1 0 326.352 3.654 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2CC[C@@H](c3ccccc3)C[C@H]2C)s1 ZINC000439342929 1021373286 /nfs/dbraw/zinc/37/32/86/1021373286.db2.gz HZMCJOHAFAGHAR-UKRRQHHQSA-N -1 0 344.484 3.713 20 0 EHADRM Cc1cc(Cl)ccc1NC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000326270032 1021375640 /nfs/dbraw/zinc/37/56/40/1021375640.db2.gz VCUFVSWCOZMPOD-MRXNPFEDSA-N -1 0 344.798 3.692 20 0 EHADRM COCCOc1cccc(-c2noc(-c3ccc(Cl)cc3[O-])n2)c1 ZINC000436920375 1021376547 /nfs/dbraw/zinc/37/65/47/1021376547.db2.gz RFOXVIAPWUYZTD-UHFFFAOYSA-N -1 0 346.770 3.788 20 0 EHADRM O=C(N[C@H]1CCc2sc(Cl)cc21)c1cc(F)c([O-])c(F)c1 ZINC000436928566 1021389392 /nfs/dbraw/zinc/38/93/92/1021389392.db2.gz RNNPUEBMDMIPFY-JTQLQIEISA-N -1 0 329.755 3.803 20 0 EHADRM CC1(C)CN(C(=O)c2cc(F)cc(Cl)c2[O-])Cc2ccccc2O1 ZINC000436929172 1021390395 /nfs/dbraw/zinc/39/03/95/1021390395.db2.gz URTVUPNGAXXXDZ-UHFFFAOYSA-N -1 0 349.789 3.998 20 0 EHADRM C[C@]1(c2ccccc2)CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000436943351 1021403135 /nfs/dbraw/zinc/40/31/35/1021403135.db2.gz LSZJLQQVJNIGDZ-SFHVURJKSA-N -1 0 333.790 3.989 20 0 EHADRM C[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000436943573 1021405951 /nfs/dbraw/zinc/40/59/51/1021405951.db2.gz MQBRXNQUBKWQTK-FJHFEUQMSA-N -1 0 349.789 3.868 20 0 EHADRM COc1ccc(-c2nc3sccc3c(C)c2CC(=O)[O-])cc1OC ZINC000427457600 1021412631 /nfs/dbraw/zinc/41/26/31/1021412631.db2.gz UWFZXQYXYYQOOI-UHFFFAOYSA-N -1 0 343.404 3.916 20 0 EHADRM CN(C(=O)c1[nH]c2ccccc2c1CC(=O)[O-])C1CCC(C)(C)CC1 ZINC000909410513 1021414245 /nfs/dbraw/zinc/41/42/45/1021414245.db2.gz ISZGDJPCTDOBFO-UHFFFAOYSA-N -1 0 342.439 3.836 20 0 EHADRM COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)c2c([O-])cccc2F)c1 ZINC000436975394 1021429560 /nfs/dbraw/zinc/42/95/60/1021429560.db2.gz KERKVFRGXIZIRM-WBMJQRKESA-N -1 0 329.371 3.763 20 0 EHADRM CC(C)(C)[C@H]1C[C@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)CCO1 ZINC000436981351 1021437560 /nfs/dbraw/zinc/43/75/60/1021437560.db2.gz QZLZLUUPFNAUTH-ZWNOBZJWSA-N -1 0 329.799 3.508 20 0 EHADRM Cc1ccc(OC(F)F)c(COc2ccc(-c3n[n-]c(=N)o3)cc2)c1 ZINC000427520835 1021450845 /nfs/dbraw/zinc/45/08/45/1021450845.db2.gz DPAINDUSJMCTKN-UHFFFAOYSA-N -1 0 347.321 3.638 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CC[C@H](c2ccccc2F)C1 ZINC000437002742 1021460394 /nfs/dbraw/zinc/46/03/94/1021460394.db2.gz SHCRQRVMUBRLHF-JTQLQIEISA-N -1 0 337.753 3.954 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)NCCCCC(=O)[O-])ccc21 ZINC000669497803 1032995373 /nfs/dbraw/zinc/99/53/73/1032995373.db2.gz OYRSWBBBQUNATC-UHFFFAOYSA-N -1 0 331.416 3.674 20 0 EHADRM COc1ccc(CCCCCC(=O)N[C@@H]2CCC[C@]2(C)C(=O)[O-])cc1 ZINC000659237256 1021629262 /nfs/dbraw/zinc/62/92/62/1021629262.db2.gz JMSHWTZAIPZQKX-XLIONFOSSA-N -1 0 347.455 3.558 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)N(C)C2(C(=O)[O-])CCCCC2)c1C ZINC000519741899 1021652830 /nfs/dbraw/zinc/65/28/30/1021652830.db2.gz OWSNIYQRVNSUDK-OAHLLOKOSA-N -1 0 332.444 3.793 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)CCc2ccc(Cl)cc2Cl)C1 ZINC000261941220 1021694987 /nfs/dbraw/zinc/69/49/87/1021694987.db2.gz LJZJYFPXUNYTNZ-INIZCTEOSA-N -1 0 344.238 3.639 20 0 EHADRM CSc1ccccc1[C@H](C)N=c1[n-]nc(-c2ccccn2)s1 ZINC000440673831 1021701719 /nfs/dbraw/zinc/70/17/19/1021701719.db2.gz NXLBXAAXEQDLNW-NSHDSACASA-N -1 0 328.466 3.917 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cn2)cc1 ZINC000437315209 1021723639 /nfs/dbraw/zinc/72/36/39/1021723639.db2.gz XXPZFXLEIQPRFH-UHFFFAOYSA-N -1 0 347.223 3.588 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ncc(C(C)C)s2)c1 ZINC000437316972 1021724893 /nfs/dbraw/zinc/72/48/93/1021724893.db2.gz YEHUUWKDAQKITO-UHFFFAOYSA-N -1 0 347.465 3.924 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nc3ccsc3s2)cc(C)c1F ZINC000437312270 1021734489 /nfs/dbraw/zinc/73/44/89/1021734489.db2.gz XLQNLJZGPIPQCM-UHFFFAOYSA-N -1 0 342.442 3.915 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2ncc(C(C)C)s2)c(C)c1 ZINC000437313123 1021735860 /nfs/dbraw/zinc/73/58/60/1021735860.db2.gz ZSKQPAVVVURKMR-UHFFFAOYSA-N -1 0 340.470 3.774 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1nc2c(s1)CCCCC2 ZINC000437328805 1021740645 /nfs/dbraw/zinc/74/06/45/1021740645.db2.gz YNAIXVYZDNPUIB-UHFFFAOYSA-N -1 0 328.484 3.583 20 0 EHADRM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000909415132 1021785130 /nfs/dbraw/zinc/78/51/30/1021785130.db2.gz SBBROBIWIVBHNJ-YVRKLEAXSA-N -1 0 345.414 3.565 20 0 EHADRM Cc1nn(C(C)C)cc1CN=c1[n-]nc(CC2CCCCC2)s1 ZINC000341415789 1021790694 /nfs/dbraw/zinc/79/06/94/1021790694.db2.gz BAVYNHIJRBCOEF-UHFFFAOYSA-N -1 0 333.505 3.781 20 0 EHADRM O=S(=O)([N-]c1cnccc1-c1cccc(F)c1)c1cccc(F)c1 ZINC000439877988 1021792667 /nfs/dbraw/zinc/79/26/67/1021792667.db2.gz KINPBJPDXIUPRL-UHFFFAOYSA-N -1 0 346.358 3.828 20 0 EHADRM COc1cc(C(=O)N[C@H]2C[C@H](c3ccccc3F)C2)cc(Cl)c1O ZINC000437395907 1021793686 /nfs/dbraw/zinc/79/36/86/1021793686.db2.gz VVJZSUXNNQQWBP-UMSPYCQHSA-N -1 0 349.789 3.869 20 0 EHADRM COc1c(C)cc(C(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)cc1C ZINC000439898202 1021812609 /nfs/dbraw/zinc/81/26/09/1021812609.db2.gz UFPGCXMXNUWSHE-UHFFFAOYSA-N -1 0 327.380 3.879 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1ccc(C2CCC2)cc1)Cc1ccccc1 ZINC000439924839 1021831959 /nfs/dbraw/zinc/83/19/59/1021831959.db2.gz PNDZEENUFRLSPI-IBGZPJMESA-N -1 0 337.419 3.627 20 0 EHADRM O=C(Cc1cc(F)c(F)cc1F)Nc1cc(Cl)c([O-])cc1F ZINC000516931075 1021866918 /nfs/dbraw/zinc/86/69/18/1021866918.db2.gz LSSXSHZVMLUSTE-UHFFFAOYSA-N -1 0 333.668 3.783 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)c(F)c1 ZINC000439978691 1021875652 /nfs/dbraw/zinc/87/56/52/1021875652.db2.gz JZRYKHUBSGSSQQ-UHFFFAOYSA-N -1 0 331.368 3.794 20 0 EHADRM CC(C)c1cnc(CN=c2[n-]nc(-c3ccc4c(c3)CCC4)o2)s1 ZINC000517020981 1021950974 /nfs/dbraw/zinc/95/09/74/1021950974.db2.gz ZAHBNJKPAZHMDN-UHFFFAOYSA-N -1 0 340.452 3.839 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N(C)[C@H](C)CCSCC)s1 ZINC000437595811 1021968064 /nfs/dbraw/zinc/96/80/64/1021968064.db2.gz SYZLPWWNNIINRT-GFCCVEGCSA-N -1 0 344.550 3.688 20 0 EHADRM CCc1noc(C)c1[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000164890648 1021994106 /nfs/dbraw/zinc/99/41/06/1021994106.db2.gz UBNLTKKHNSHSDJ-UHFFFAOYSA-N -1 0 328.459 3.705 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccnc2-c2ccc(C)s2)o1 ZINC000437652050 1022017869 /nfs/dbraw/zinc/01/78/69/1022017869.db2.gz DZWWZIZZYOKZLE-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM Cc1nsc(NC([O-])=C(Sc2ccccc2)c2ccccc2)n1 ZINC000440299568 1022075381 /nfs/dbraw/zinc/07/53/81/1022075381.db2.gz WSOAMZKGKDJUCA-OAHLLOKOSA-N -1 0 341.461 3.741 20 0 EHADRM CN(C)c1ccccc1[N-]S(=O)(=O)c1csc2ccccc21 ZINC000506824704 1022114874 /nfs/dbraw/zinc/11/48/74/1022114874.db2.gz YKSXLIYMWUGJCF-UHFFFAOYSA-N -1 0 332.450 3.768 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2nc(C3CCC3)cs2)c1 ZINC000517215237 1022136796 /nfs/dbraw/zinc/13/67/96/1022136796.db2.gz PVVUHMPTICJFJC-UHFFFAOYSA-N -1 0 326.418 3.659 20 0 EHADRM FC(F)(F)c1nc(=N[C@@H]2CCc3sc(Cl)cc32)s[n-]1 ZINC000519492674 1022150154 /nfs/dbraw/zinc/15/01/54/1022150154.db2.gz UQKXYDLZGFYMPR-RXMQYKEDSA-N -1 0 325.768 3.793 20 0 EHADRM CC(C)[C@@H]1N(C(=O)N=c2[n-]nc(C(F)F)s2)CC12CCCCC2 ZINC000333816296 1022183729 /nfs/dbraw/zinc/18/37/29/1022183729.db2.gz HYZKGSWLTRCEJC-JTQLQIEISA-N -1 0 344.431 3.720 20 0 EHADRM CO[C@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CC[C@H]1C ZINC000187696628 1022218244 /nfs/dbraw/zinc/21/82/44/1022218244.db2.gz DCGUXLZDRSGWQL-BZNIZROVSA-N -1 0 333.815 3.696 20 0 EHADRM O=C(N=c1nc(-c2ccccc2)[n-]s1)N1CCCC2(CCCC2)C1 ZINC000437915521 1022265530 /nfs/dbraw/zinc/26/55/30/1022265530.db2.gz LADACLQUXCNOAB-UHFFFAOYSA-N -1 0 342.468 3.815 20 0 EHADRM CC(C)(C)c1nsc(NC(=O)c2ccc3[n-]c(=S)oc3c2)n1 ZINC000073332943 1022326221 /nfs/dbraw/zinc/32/62/21/1022326221.db2.gz AWNDXJNHRAMQJK-UHFFFAOYSA-N -1 0 334.426 3.518 20 0 EHADRM Cc1ccc(Cc2n[n-]c(=NC(=O)c3ccc(F)c(C)c3)s2)cc1 ZINC000517432992 1022328986 /nfs/dbraw/zinc/32/89/86/1022328986.db2.gz FWGAJOPSOSHHHI-UHFFFAOYSA-N -1 0 341.411 3.559 20 0 EHADRM CC(C)c1ccc(C2(CNC(=O)N=c3[n-]ncs3)CCCC2)cc1 ZINC000517451501 1022348611 /nfs/dbraw/zinc/34/86/11/1022348611.db2.gz JEBXEALGDQJOJB-UHFFFAOYSA-N -1 0 344.484 3.717 20 0 EHADRM Cc1csc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1Cl ZINC000261597768 1022414560 /nfs/dbraw/zinc/41/45/60/1022414560.db2.gz OMQZRMCLJPUKBR-MXWKQRLJSA-N -1 0 327.833 3.568 20 0 EHADRM c1ccc(-c2n[n-]c(=NC3CCN(c4ccccc4)CC3)s2)cc1 ZINC000517580627 1022469553 /nfs/dbraw/zinc/46/95/53/1022469553.db2.gz YPKUJESUYWLKEM-UHFFFAOYSA-N -1 0 336.464 3.708 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1ccc2ccccc2c1 ZINC000550119371 1022507156 /nfs/dbraw/zinc/50/71/56/1022507156.db2.gz ADDSILAYKMTPTL-UHFFFAOYSA-N -1 0 344.374 3.891 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000261599188 1022524755 /nfs/dbraw/zinc/52/47/55/1022524755.db2.gz SEMKSCRLZPEJJX-HNNXBMFYSA-N -1 0 330.211 3.566 20 0 EHADRM O=S(=O)([N-]c1cnc2c(c1)CCCC2)c1c(F)cccc1Cl ZINC000548370506 1022564125 /nfs/dbraw/zinc/56/41/25/1022564125.db2.gz RLMPARJJZFKZFI-UHFFFAOYSA-N -1 0 340.807 3.554 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)N(C)C3CCC(C)(C)CC3)cc2=O)cc1 ZINC000124876261 1022565278 /nfs/dbraw/zinc/56/52/78/1022565278.db2.gz NHYIPIJYHMEIOJ-UHFFFAOYSA-N -1 0 341.455 3.515 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccnn2[C@H](C)CC(C)C)c(C)o1 ZINC000330676031 1022651938 /nfs/dbraw/zinc/65/19/38/1022651938.db2.gz IENLENFBMPZGDN-LLVKDONJSA-N -1 0 325.434 3.501 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2nsc(-c3ccccc3)n2)cc1 ZINC000476235217 1033070609 /nfs/dbraw/zinc/07/06/09/1033070609.db2.gz HSZYRAYYYPCXJK-UHFFFAOYSA-N -1 0 345.449 3.568 20 0 EHADRM CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)c1C ZINC000330887952 1022693233 /nfs/dbraw/zinc/69/32/33/1022693233.db2.gz AIODSQQIKKWJAL-UHFFFAOYSA-N -1 0 348.255 3.627 20 0 EHADRM Cc1occc1S([O-])=CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 ZINC000471865028 1022711333 /nfs/dbraw/zinc/71/13/33/1022711333.db2.gz VSDKJESDAMIJIO-JBEBIEQOSA-N -1 0 345.464 3.523 20 0 EHADRM CC(C)(C)[C@H]1CCCN(C(=O)c2nn(-c3ccccc3F)cc2[O-])C1 ZINC000331088935 1022751638 /nfs/dbraw/zinc/75/16/38/1022751638.db2.gz UGSVSYBGNKRMBY-ZDUSSCGKSA-N -1 0 345.418 3.615 20 0 EHADRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)c(C)s1 ZINC000048518910 1022786351 /nfs/dbraw/zinc/78/63/51/1022786351.db2.gz NSQODURDRYOLMC-UHFFFAOYSA-N -1 0 329.830 3.712 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)N[C@@H](CC)c1cccc(Cl)c1 ZINC000517876901 1022796203 /nfs/dbraw/zinc/79/62/03/1022796203.db2.gz PLZKULNTPWWGRI-RISCZKNCSA-N -1 0 326.824 3.686 20 0 EHADRM O=C(Nc1cnc2ccccc2c1)c1ccc(Br)cc1[O-] ZINC000050165418 1022820295 /nfs/dbraw/zinc/82/02/95/1022820295.db2.gz KMSBBDHXLQZCEJ-UHFFFAOYSA-N -1 0 343.180 3.955 20 0 EHADRM CCOCc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000438721571 1022953272 /nfs/dbraw/zinc/95/32/72/1022953272.db2.gz FSOLDOGEEPTHGR-UHFFFAOYSA-N -1 0 331.846 3.739 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000237137724 1022964060 /nfs/dbraw/zinc/96/40/60/1022964060.db2.gz RGFMGPRMCFXSNJ-LJQANCHMSA-N -1 0 343.448 3.887 20 0 EHADRM CC1(C(=O)[O-])CCN(Cc2ccc(Cl)c(Br)c2)CC1 ZINC000137274291 1022983907 /nfs/dbraw/zinc/98/39/07/1022983907.db2.gz YNCBGIAILPDYRV-UHFFFAOYSA-N -1 0 346.652 3.789 20 0 EHADRM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2)cc1 ZINC000438774340 1022990392 /nfs/dbraw/zinc/99/03/92/1022990392.db2.gz URPUFWGZTHWUQC-UHFFFAOYSA-N -1 0 335.473 3.538 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NCc2ccccc2Br)o1 ZINC000426765038 1023016147 /nfs/dbraw/zinc/01/61/47/1023016147.db2.gz JTFCINBTJJTAMB-CYBMUJFWSA-N -1 0 338.201 3.656 20 0 EHADRM O=C([O-])[C@H](NCc1cc2cc(F)ccc2o1)c1c(F)cccc1F ZINC000426746930 1023017741 /nfs/dbraw/zinc/01/77/41/1023017741.db2.gz LOOPIDYWPSAOFM-MRXNPFEDSA-N -1 0 335.281 3.766 20 0 EHADRM CC(C)[C@H](CC(F)(F)F)NC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000438827737 1023044920 /nfs/dbraw/zinc/04/49/20/1023044920.db2.gz TUJHALSBMOBDND-JTQLQIEISA-N -1 0 327.705 3.892 20 0 EHADRM CCCCOc1ccc(CN[C@H](C(=O)[O-])c2cccs2)cc1OC ZINC000426808598 1023059059 /nfs/dbraw/zinc/05/90/59/1023059059.db2.gz ABZIRINOAKFNOB-KRWDZBQOSA-N -1 0 349.452 3.851 20 0 EHADRM COc1ccccc1[C@H](NCc1cc2ccccc2s1)C(=O)[O-] ZINC000426815580 1023063859 /nfs/dbraw/zinc/06/38/59/1023063859.db2.gz GDUYYCAQXIRVFG-KRWDZBQOSA-N -1 0 327.405 3.825 20 0 EHADRM O=C([O-])[C@@H](NCc1cnc(-c2cccs2)s1)c1cccc(F)c1 ZINC000426818668 1023064938 /nfs/dbraw/zinc/06/49/38/1023064938.db2.gz GCKCFSOEDDKTMG-AWEZNQCLSA-N -1 0 348.424 3.926 20 0 EHADRM Cc1cc2cccnc2c([N-]S(=O)(=O)c2cc(F)c(C)cc2F)c1 ZINC000507001243 1023069391 /nfs/dbraw/zinc/06/93/91/1023069391.db2.gz IKBOBDQFFGWNCM-UHFFFAOYSA-N -1 0 348.374 3.931 20 0 EHADRM O=C([O-])[C@@H](NCc1csc(-c2ccccc2)n1)c1ccsc1 ZINC000426836353 1023074379 /nfs/dbraw/zinc/07/43/79/1023074379.db2.gz UCWKDGKDLSWPAS-AWEZNQCLSA-N -1 0 330.434 3.787 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2CCCC[C@@H]2CC)n1 ZINC000438898601 1023132173 /nfs/dbraw/zinc/13/21/73/1023132173.db2.gz ADBINXRATBIHHA-HNNXBMFYSA-N -1 0 327.428 3.545 20 0 EHADRM CCSc1nccnc1-c1noc(-c2ccc(Cl)cc2[O-])n1 ZINC000438932510 1023150586 /nfs/dbraw/zinc/15/05/86/1023150586.db2.gz RADWKGDPZUUDRQ-UHFFFAOYSA-N -1 0 334.788 3.665 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1ccccc1Nc1c(F)cccc1F ZINC000507311119 1023239330 /nfs/dbraw/zinc/23/93/30/1023239330.db2.gz YASVJFQBPMQHOH-GHMZBOCLSA-N -1 0 346.333 3.758 20 0 EHADRM Cc1nc(C2CCCCC2)sc1C(=O)N=c1cc(C)c(C)n[n-]1 ZINC000538194549 1023243358 /nfs/dbraw/zinc/24/33/58/1023243358.db2.gz KJJIXQMCKPDYMV-UHFFFAOYSA-N -1 0 330.457 3.580 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cnn(C)c2-c2ccccc2)s1 ZINC000431145035 1023332339 /nfs/dbraw/zinc/33/23/39/1023332339.db2.gz VVBOKDVNGPUCJW-UHFFFAOYSA-N -1 0 347.465 3.566 20 0 EHADRM O=C([O-])c1cnc(/C=C\c2cc(Br)ccc2F)s1 ZINC000206729857 1033124815 /nfs/dbraw/zinc/12/48/15/1033124815.db2.gz AUPAJFAYPJSLJP-RJRFIUFISA-N -1 0 328.162 3.913 20 0 EHADRM COc1ccc(C2(CN=c3[n-]nc(C4CC4)o3)CCCCC2)cc1 ZINC000341819771 1023388197 /nfs/dbraw/zinc/38/81/97/1023388197.db2.gz HLHPPZLWFBCNBG-UHFFFAOYSA-N -1 0 327.428 3.692 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(OCCF)c2)s1 ZINC000431176519 1023388485 /nfs/dbraw/zinc/38/84/85/1023388485.db2.gz ULEPJBXLMLUHBS-UHFFFAOYSA-N -1 0 329.418 3.514 20 0 EHADRM C[C@H](CCc1ccc(Br)cc1)N=c1[n-]nc(C2CC2)o1 ZINC000341849978 1023454206 /nfs/dbraw/zinc/45/42/06/1023454206.db2.gz WACHQEHVGVBQEV-SNVBAGLBSA-N -1 0 336.233 3.565 20 0 EHADRM O=C(Nc1cnc2ccccc2c1)c1ccc(Br)c([O-])c1 ZINC000132982380 1023458633 /nfs/dbraw/zinc/45/86/33/1023458633.db2.gz GFZHPEJKIJHAMA-UHFFFAOYSA-N -1 0 343.180 3.955 20 0 EHADRM CCC(CC)N(CC(C)C)C(=O)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000471972156 1023495845 /nfs/dbraw/zinc/49/58/45/1023495845.db2.gz FJAVTWJAQHGEPT-UHFFFAOYSA-N -1 0 332.370 3.596 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2scnc2C2CC2)c1 ZINC000535737511 1023592613 /nfs/dbraw/zinc/59/26/13/1023592613.db2.gz KBEFWXMQYPXVPY-UHFFFAOYSA-N -1 0 328.846 3.783 20 0 EHADRM Cc1cccc([C@@H](NCc2cnc(C(C)(C)C)s2)C(=O)[O-])c1C ZINC000277133767 1023813062 /nfs/dbraw/zinc/81/30/62/1023813062.db2.gz BRGUDNDTYHIQRF-OAHLLOKOSA-N -1 0 332.469 3.973 20 0 EHADRM CCC(CC)(C(=O)NC[C@H](C)CC(=O)[O-])c1ccc(Cl)cc1 ZINC000262182259 1024021526 /nfs/dbraw/zinc/02/15/26/1024021526.db2.gz QVSCVQZEJZOCIA-GFCCVEGCSA-N -1 0 325.836 3.625 20 0 EHADRM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccsc32)cc1 ZINC000443479893 1024024641 /nfs/dbraw/zinc/02/46/41/1024024641.db2.gz ZKUZVDUOBZOHFB-UHFFFAOYSA-N -1 0 346.433 3.661 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522538974 1024047963 /nfs/dbraw/zinc/04/79/63/1024047963.db2.gz FWEGKHLSIWIFDK-KBPBESRZSA-N -1 0 347.340 3.537 20 0 EHADRM Cc1ccc(-c2ccccc2OC[C@H]2CCOC2)cc1CC(=O)[O-] ZINC000657204162 1024086652 /nfs/dbraw/zinc/08/66/52/1024086652.db2.gz XGNNYWZABHBKJM-HNNXBMFYSA-N -1 0 326.392 3.704 20 0 EHADRM O=C([O-])CCCc1cccc(-c2ccc(O[C@H]3CCOC3)cc2)c1 ZINC000657204450 1024102141 /nfs/dbraw/zinc/10/21/41/1024102141.db2.gz PYQJRHBKDWPENF-IBGZPJMESA-N -1 0 326.392 3.929 20 0 EHADRM Cc1ccc(-c2[n-][nH]c(=NC(=O)c3ccc(C)c(Cl)c3)c2C)o1 ZINC000434501529 1024102624 /nfs/dbraw/zinc/10/26/24/1024102624.db2.gz WZQNUBYHSXALFW-UHFFFAOYSA-N -1 0 329.787 3.923 20 0 EHADRM Cc1cc(CCC(=O)[O-])ccc1-c1ccc(O[C@H]2CCOC2)cc1 ZINC000657204372 1024105340 /nfs/dbraw/zinc/10/53/40/1024105340.db2.gz HABUMLXDKMFGKD-SFHVURJKSA-N -1 0 326.392 3.847 20 0 EHADRM COCc1cc(-c2ccc(C(=O)[O-])cc2OC(C)C)ccc1OC ZINC000657204373 1024105546 /nfs/dbraw/zinc/10/55/46/1024105546.db2.gz HAOGXKONBANIBK-UHFFFAOYSA-N -1 0 330.380 3.994 20 0 EHADRM COCCCOc1ccc(-c2ccccc2O[C@@H](C)C(=O)[O-])cc1 ZINC000657207488 1024130576 /nfs/dbraw/zinc/13/05/76/1024130576.db2.gz RJMBDIAFRDYUSV-AWEZNQCLSA-N -1 0 330.380 3.621 20 0 EHADRM O=C([O-])c1nc(-c2ccc(C(F)(F)F)cc2CO)sc1C1CC1 ZINC000657208038 1024130670 /nfs/dbraw/zinc/13/06/70/1024130670.db2.gz XLNFJRMTBZPLKS-UHFFFAOYSA-N -1 0 343.326 3.897 20 0 EHADRM C[C@@H](CCc1ccc(-c2cc3c(cc2CO)OCO3)cc1)CC(=O)[O-] ZINC000657208247 1024132279 /nfs/dbraw/zinc/13/22/79/1024132279.db2.gz ZPQQGOTUPKHABI-ZDUSSCGKSA-N -1 0 342.391 3.618 20 0 EHADRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(-c2ccc(C)cc2)cc1F ZINC000785092641 1024132456 /nfs/dbraw/zinc/13/24/56/1024132456.db2.gz DXCJLQMYIQLLSD-CYBMUJFWSA-N -1 0 349.427 3.659 20 0 EHADRM Cc1cc(-c2n[n-]c(=NCc3nc4c(s3)C[C@@H](C)CC4)o2)c(C)o1 ZINC000351777807 1024134115 /nfs/dbraw/zinc/13/41/15/1024134115.db2.gz DXQHXHGIWWOSBT-VIFPVBQESA-N -1 0 344.440 3.562 20 0 EHADRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1sc2cc(F)ccc2c1Cl ZINC000785092860 1024135057 /nfs/dbraw/zinc/13/50/57/1024135057.db2.gz DMYGAFHGBWMUTR-SSDOTTSWSA-N -1 0 349.836 3.552 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000237190310 1024143878 /nfs/dbraw/zinc/14/38/78/1024143878.db2.gz OTKUKEOMRPNYLW-TZIYXEQSSA-N -1 0 339.391 3.925 20 0 EHADRM CC[C@]1(C)Oc2ccc(NC(=O)c3cccc(OC)c3O)cc2O1 ZINC000443555182 1024144037 /nfs/dbraw/zinc/14/40/37/1024144037.db2.gz CMAHREOZLJZGDD-GOSISDBHSA-N -1 0 329.352 3.551 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC000262196728 1024146895 /nfs/dbraw/zinc/14/68/95/1024146895.db2.gz OCGAJEZVMBVYIW-HNNXBMFYSA-N -1 0 325.408 3.845 20 0 EHADRM Cn1cc(CNc2ccc(C(C)(C)C(=O)[O-])cc2)c(C(C)(C)C)n1 ZINC000417625504 1024187199 /nfs/dbraw/zinc/18/71/99/1024187199.db2.gz MPPWLXBUPCUVRB-UHFFFAOYSA-N -1 0 329.444 3.692 20 0 EHADRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc2ncsc2c1 ZINC000434632540 1024209852 /nfs/dbraw/zinc/20/98/52/1024209852.db2.gz YCSMUBSHWXUZFK-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM CCc1ccc([C@@H]2CCCCCN2C(=O)CC2(C(=O)[O-])CCC2)o1 ZINC000262339117 1024214625 /nfs/dbraw/zinc/21/46/25/1024214625.db2.gz AAJWDNVTKJZKHL-HNNXBMFYSA-N -1 0 333.428 3.931 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000262199934 1024222096 /nfs/dbraw/zinc/22/20/96/1024222096.db2.gz OJYJTQXFBNUWJP-IBGZPJMESA-N -1 0 341.382 3.724 20 0 EHADRM C[C@@H](NC(=O)N=c1nc(C(C)(C)C)[n-]s1)c1cc2ccccc2o1 ZINC000443608900 1024228623 /nfs/dbraw/zinc/22/86/23/1024228623.db2.gz UBVNLTSONBRFKX-SNVBAGLBSA-N -1 0 344.440 3.886 20 0 EHADRM CCc1cccc(C)c1[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000520618358 1024260723 /nfs/dbraw/zinc/26/07/23/1024260723.db2.gz ROQZTYDSSUQYGK-UHFFFAOYSA-N -1 0 341.436 3.544 20 0 EHADRM Cc1ccc(SC2(C(=O)NC[C@@H](C)CC(=O)[O-])CCCC2)cc1 ZINC000262116626 1024270081 /nfs/dbraw/zinc/27/00/81/1024270081.db2.gz FUHMNLJALRGGLU-AWEZNQCLSA-N -1 0 335.469 3.627 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC000191406977 1024306345 /nfs/dbraw/zinc/30/63/45/1024306345.db2.gz BOOGNDJDCWEQNG-LBPRGKRZSA-N -1 0 331.799 3.784 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000472015986 1024308851 /nfs/dbraw/zinc/30/88/51/1024308851.db2.gz BMOPMFRMZVWTHE-SFHVURJKSA-N -1 0 339.439 3.632 20 0 EHADRM CCCc1nc(=NC(=O)c2ccccc2Cc2ccccc2)s[n-]1 ZINC000545967104 1024321009 /nfs/dbraw/zinc/32/10/09/1024321009.db2.gz ROEWIECVMMZVLV-UHFFFAOYSA-N -1 0 337.448 3.756 20 0 EHADRM CCOc1cc(-c2ccccc2)sc1C(=O)NC[C@@H](C)CC(=O)[O-] ZINC000262219827 1024387846 /nfs/dbraw/zinc/38/78/46/1024387846.db2.gz MJGLBNJDSHTQJF-LBPRGKRZSA-N -1 0 347.436 3.654 20 0 EHADRM c1cc(Cc2n[n-]c(=NCc3csc4ccccc34)o2)cs1 ZINC000346102920 1024404459 /nfs/dbraw/zinc/40/44/59/1024404459.db2.gz JYRYRJMSIKEJCG-UHFFFAOYSA-N -1 0 327.434 3.971 20 0 EHADRM CC(C)(C)c1nc(C(=O)NCCCCCCCC(=O)[O-])cs1 ZINC000262228036 1024438224 /nfs/dbraw/zinc/43/82/24/1024438224.db2.gz SAFNJVDVOZKCLO-UHFFFAOYSA-N -1 0 326.462 3.596 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccc(-c2nccs2)cc1 ZINC000607611101 1033214876 /nfs/dbraw/zinc/21/48/76/1033214876.db2.gz FYAFUQVOLMGABR-UHFFFAOYSA-N -1 0 336.463 3.981 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000425237535 1024491262 /nfs/dbraw/zinc/49/12/62/1024491262.db2.gz HLVYICARZUKXQN-QFBILLFUSA-N -1 0 339.435 3.548 20 0 EHADRM CC(C)c1nn(C)cc1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000425240673 1024498634 /nfs/dbraw/zinc/49/86/34/1024498634.db2.gz YVMWBKIYCYQQPS-UHFFFAOYSA-N -1 0 328.199 3.808 20 0 EHADRM Cc1ccc(C2CC2)c(C(=O)NC[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000425242624 1024507370 /nfs/dbraw/zinc/50/73/70/1024507370.db2.gz PECHZTGXAVXCBX-KRWDZBQOSA-N -1 0 337.419 3.546 20 0 EHADRM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cn1 ZINC000430385660 1024563264 /nfs/dbraw/zinc/56/32/64/1024563264.db2.gz AOTCUTSGUIEXKD-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM Cc1ccc(Oc2ccccc2)c([N-]S(=O)(=O)C[C@@H]2CCCO2)c1 ZINC000441766768 1024589370 /nfs/dbraw/zinc/58/93/70/1024589370.db2.gz XXABKKYFNCUXQO-INIZCTEOSA-N -1 0 347.436 3.708 20 0 EHADRM Cc1ccccc1CS(=O)(=O)Nc1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000548591111 1024590474 /nfs/dbraw/zinc/59/04/74/1024590474.db2.gz DCLFEGXHEOZACJ-CQSZACIVSA-N -1 0 347.436 3.515 20 0 EHADRM CSC[C@H]1CCCN(c2ccc(=N[C@H](C)c3ccccc3)[nH]n2)C1 ZINC000425273111 1024599665 /nfs/dbraw/zinc/59/96/65/1024599665.db2.gz XQVVCVGIBVBDMD-CVEARBPZSA-N -1 0 342.512 3.651 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)[C@H]2CSc3ccccc32)cc1 ZINC000320715252 1024606160 /nfs/dbraw/zinc/60/61/60/1024606160.db2.gz BQFODJSAXYOWJN-XMELGKRDSA-N -1 0 325.389 3.612 20 0 EHADRM C[C@H](N=c1[n-]c(C2CCOCC2)no1)c1ccccc1C(F)(F)F ZINC000520757996 1024632769 /nfs/dbraw/zinc/63/27/69/1024632769.db2.gz MPYDREYGEWTLQR-JTQLQIEISA-N -1 0 341.333 3.577 20 0 EHADRM CCCCC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000064509932 1024688450 /nfs/dbraw/zinc/68/84/50/1024688450.db2.gz JCVWPIYDVKZQMB-UHFFFAOYSA-N -1 0 332.425 3.616 20 0 EHADRM C[C@H](CCNC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000327327534 1024690988 /nfs/dbraw/zinc/69/09/88/1024690988.db2.gz ABMGKXCJBFQGCQ-IERDGZPVSA-N -1 0 339.435 3.729 20 0 EHADRM O=C([O-])c1coc(N2CC=C(c3ccccc3C(F)(F)F)CC2)n1 ZINC000514733176 1024708287 /nfs/dbraw/zinc/70/82/87/1024708287.db2.gz OWZKJQAXRQCVLD-UHFFFAOYSA-N -1 0 338.285 3.685 20 0 EHADRM Cc1ccc2[nH]c([N-]S(=O)(=O)c3ccc(C(F)F)cc3)nc2c1 ZINC000427659181 1024720220 /nfs/dbraw/zinc/72/02/20/1024720220.db2.gz GNBFQRONAAMWDO-UHFFFAOYSA-N -1 0 337.351 3.610 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCC(F)F)c(C)c1 ZINC000474309637 1024721502 /nfs/dbraw/zinc/72/15/02/1024721502.db2.gz VPVCKLYYLYBZPR-UHFFFAOYSA-N -1 0 341.379 3.748 20 0 EHADRM Cc1cc(NC(=O)c2cc(=O)[nH]c3ccccc32)cc(C(=O)[O-])c1C ZINC000327349064 1024727114 /nfs/dbraw/zinc/72/71/14/1024727114.db2.gz LEESKFAXQXXYPA-UHFFFAOYSA-N -1 0 336.347 3.508 20 0 EHADRM O=C([N-]OCc1ccccn1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000909527768 1024759171 /nfs/dbraw/zinc/75/91/71/1024759171.db2.gz IKTWUOVVHZBWIE-UHFFFAOYSA-N -1 0 330.815 3.795 20 0 EHADRM Cc1cccc2sc([N-]S(=O)(=O)c3ccc(F)c(F)c3)nc21 ZINC000014229811 1024762626 /nfs/dbraw/zinc/76/26/26/1024762626.db2.gz BPUPQNALKYKRRG-UHFFFAOYSA-N -1 0 340.376 3.684 20 0 EHADRM Cc1cccc(S([O-])=CC(=O)N(Cc2ccccc2)C(C)(C)C)c1 ZINC000108103686 1024763512 /nfs/dbraw/zinc/76/35/12/1024763512.db2.gz GOAUIAGBUDHMDS-XMMPIXPASA-N -1 0 343.492 3.930 20 0 EHADRM CN(C)[C@@H](CN=c1[n-]c(-c2cccc(Cl)c2)no1)c1cccs1 ZINC000507953672 1024784076 /nfs/dbraw/zinc/78/40/76/1024784076.db2.gz IMMLAHWQBBYBTK-ZDUSSCGKSA-N -1 0 348.859 3.588 20 0 EHADRM CCc1ccc([C@H]2CN(C(=O)c3ccc([O-])c(Cl)c3)CCO2)cc1 ZINC000190874325 1024877636 /nfs/dbraw/zinc/87/76/36/1024877636.db2.gz XXVRNXQVIXLXAA-GOSISDBHSA-N -1 0 345.826 3.822 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)N[C@H](C)c1cc2ccccc2o1)C1CC1 ZINC000684712536 1024884271 /nfs/dbraw/zinc/88/42/71/1024884271.db2.gz BHYUYGIQJAHOOI-RISCZKNCSA-N -1 0 330.384 3.531 20 0 EHADRM C[C@H](NC(=O)CC1(C(=O)[O-])CCCC1)c1ccc(F)cc1Cl ZINC000346589304 1024902170 /nfs/dbraw/zinc/90/21/70/1024902170.db2.gz SXNZLSDUOCYDCO-JTQLQIEISA-N -1 0 327.783 3.691 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1 ZINC000327471879 1024954932 /nfs/dbraw/zinc/95/49/32/1024954932.db2.gz GLEWUYQAXRIHPD-SFHVURJKSA-N -1 0 337.419 3.808 20 0 EHADRM O=C(CCOc1ccc(F)cc1)Nc1cc(F)cc(Cl)c1[O-] ZINC000474435717 1024966195 /nfs/dbraw/zinc/96/61/95/1024966195.db2.gz COANHKQUEBBJPP-UHFFFAOYSA-N -1 0 327.714 3.731 20 0 EHADRM CC[C@H](NC(=O)N(C)[C@@H](CC(C)C)C(=O)[O-])c1cccc(Cl)c1 ZINC000684719190 1024968827 /nfs/dbraw/zinc/96/88/27/1024968827.db2.gz IAWNMWUIBPXKBG-GJZGRUSLSA-N -1 0 340.851 3.932 20 0 EHADRM COc1ccc(SCC(=O)Nc2cc(F)cc(Cl)c2[O-])cc1 ZINC000474441131 1024975941 /nfs/dbraw/zinc/97/59/41/1024975941.db2.gz YCPFCAIHJDJPTJ-UHFFFAOYSA-N -1 0 341.791 3.924 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N(CC)Cc2ccccc2C)s1 ZINC000515106582 1025024095 /nfs/dbraw/zinc/02/40/95/1025024095.db2.gz BSFYNMZHUARGIY-UHFFFAOYSA-N -1 0 332.473 3.665 20 0 EHADRM Cc1ccc(CSCC(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000013170017 1025057348 /nfs/dbraw/zinc/05/73/48/1025057348.db2.gz YVBFXEFRXGVIPT-UHFFFAOYSA-N -1 0 329.421 3.874 20 0 EHADRM Cc1oc([N-]S(=O)(=O)c2ccc(C)cc2Cl)nc1C1CC1 ZINC000515206469 1025092264 /nfs/dbraw/zinc/09/22/64/1025092264.db2.gz JQWFBQYDCSTJDV-UHFFFAOYSA-N -1 0 326.805 3.623 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)NCC(C1CC1)C1CC1 ZINC000684734185 1025093237 /nfs/dbraw/zinc/09/32/37/1025093237.db2.gz GBIUNVQBPLHCCI-SFHVURJKSA-N -1 0 344.455 3.670 20 0 EHADRM COc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000071977839 1025097498 /nfs/dbraw/zinc/09/74/98/1025097498.db2.gz KGSIQHPQZQVAEI-UHFFFAOYSA-N -1 0 345.342 3.823 20 0 EHADRM Cc1nc([C@H](C)NC(=O)[C@H]2CCCC[C@@H]2C2CC2)sc1C(=O)[O-] ZINC000582065621 1025137031 /nfs/dbraw/zinc/13/70/31/1025137031.db2.gz YXIMHCHNBLCQDJ-UHTWSYAYSA-N -1 0 336.457 3.543 20 0 EHADRM Cc1nc([C@H](C)NC(=O)[C@@H]2CCCC[C@H]2C2CC2)sc1C(=O)[O-] ZINC000582065622 1025137826 /nfs/dbraw/zinc/13/78/26/1025137826.db2.gz YXIMHCHNBLCQDJ-WCFLWFBJSA-N -1 0 336.457 3.543 20 0 EHADRM O=S(=O)([N-]c1cccc2n[nH]cc21)c1cc(Cl)sc1Cl ZINC000072027184 1025186361 /nfs/dbraw/zinc/18/63/61/1025186361.db2.gz DHHNYCQOHSJZBN-UHFFFAOYSA-N -1 0 348.236 3.732 20 0 EHADRM CCCn1ccc2cc(NC(=O)N3CCCCC[C@H]3C(=O)[O-])ccc21 ZINC000684747512 1025240089 /nfs/dbraw/zinc/24/00/89/1025240089.db2.gz HZJNXAYOBWLUPB-KRWDZBQOSA-N -1 0 343.427 3.912 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)N(CC(=O)[O-])C2CCC2)cc1 ZINC000684748514 1025257012 /nfs/dbraw/zinc/25/70/12/1025257012.db2.gz MNXXGXDWECZRQI-UHFFFAOYSA-N -1 0 334.416 3.583 20 0 EHADRM CCc1ccc(CC)c(NS(=O)(=O)c2ccc(OC)c(F)c2)c1 ZINC000435974121 1025258061 /nfs/dbraw/zinc/25/80/61/1025258061.db2.gz QGCBIMVFNVXQMX-UHFFFAOYSA-N -1 0 337.416 3.760 20 0 EHADRM CO[C@@H](C)c1nc(C)c(C(=O)Nc2cc(F)cc(Cl)c2[O-])s1 ZINC000353884578 1025294728 /nfs/dbraw/zinc/29/47/28/1025294728.db2.gz ARKMKCGJYRNDHM-ZETCQYMHSA-N -1 0 344.795 3.909 20 0 EHADRM Cc1ccc(CC(=O)N=c2nc(-c3ccsc3)[n-]s2)c(Cl)c1 ZINC000474686712 1025332282 /nfs/dbraw/zinc/33/22/82/1025332282.db2.gz AYXSUBOUFVIZMC-UHFFFAOYSA-N -1 0 349.868 3.832 20 0 EHADRM CCn1ccnc1[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1O ZINC000281694021 1025380851 /nfs/dbraw/zinc/38/08/51/1025380851.db2.gz GQBWAOZPVMZHLO-CQSZACIVSA-N -1 0 333.819 3.629 20 0 EHADRM CC(C)c1nc2cc(NC(=O)C3CCC(C(=O)[O-])CC3)ccc2o1 ZINC000684771525 1025415499 /nfs/dbraw/zinc/41/54/99/1025415499.db2.gz SUULPMOUPKYQOY-UHFFFAOYSA-N -1 0 330.384 3.781 20 0 EHADRM COc1ncccc1[N-]S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000515630799 1025426082 /nfs/dbraw/zinc/42/60/82/1025426082.db2.gz KCFLJBWNYGRFLU-UHFFFAOYSA-N -1 0 340.404 3.558 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cn(C)nc2C2CCCCC2)cc1 ZINC000582163019 1025488925 /nfs/dbraw/zinc/48/89/25/1025488925.db2.gz YUCDRGPCWFADSG-UHFFFAOYSA-N -1 0 347.484 3.831 20 0 EHADRM O=C(N=c1nc(-c2ccccc2)[n-]s1)c1cccc(-n2cccc2)c1 ZINC000515706693 1025491212 /nfs/dbraw/zinc/49/12/12/1025491212.db2.gz FNESDIMFZCEISZ-UHFFFAOYSA-N -1 0 346.415 3.670 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)ccc1O)c1ccc(F)cc1Cl ZINC000102818818 1025548945 /nfs/dbraw/zinc/54/89/45/1025548945.db2.gz GRHWDUVRSKPJCV-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM CCSc1cccc(F)c1NC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000521625505 1025549927 /nfs/dbraw/zinc/54/99/27/1025549927.db2.gz MDFFOKOCLZSCRF-GHMZBOCLSA-N -1 0 340.420 3.512 20 0 EHADRM CCCOc1ccc(S(=O)(=O)[N-]c2scnc2C(C)C)cc1 ZINC000451102413 1025562092 /nfs/dbraw/zinc/56/20/92/1025562092.db2.gz JVLXAWGKKXNFMC-UHFFFAOYSA-N -1 0 340.470 3.856 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2scnc2C(C)C)cc1 ZINC000451102041 1025563628 /nfs/dbraw/zinc/56/36/28/1025563628.db2.gz HJTZMEUUQBCWLY-UHFFFAOYSA-N -1 0 328.484 3.789 20 0 EHADRM Cc1ccc(N=c2[n-]nc(SCCC3(O)CC3)s2)cc1Cl ZINC000442912024 1025578535 /nfs/dbraw/zinc/57/85/35/1025578535.db2.gz LKMKRZIUOCHVID-UHFFFAOYSA-N -1 0 341.889 3.673 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000665302223 1025619724 /nfs/dbraw/zinc/61/97/24/1025619724.db2.gz OGHKHSQFOGTPJK-SWLSCSKDSA-N -1 0 344.411 3.602 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)c1ccoc1C1CC1)C(=O)[O-] ZINC000582244333 1025661596 /nfs/dbraw/zinc/66/15/96/1025661596.db2.gz VSDWDEVRZUPZKA-CYBMUJFWSA-N -1 0 327.380 3.520 20 0 EHADRM O=C1CC[C@@H](N=c2[n-]nc(-c3ccccc3Cl)s2)[C@@H](C2CC2)N1 ZINC000329217118 1025671371 /nfs/dbraw/zinc/67/13/71/1025671371.db2.gz PPORZFPDNUBGNN-TZMCWYRMSA-N -1 0 348.859 3.590 20 0 EHADRM CCCC[C@@H](NC(=O)c1cc(Cl)ccc1OCCC)C(=O)[O-] ZINC000347253403 1025732990 /nfs/dbraw/zinc/73/29/90/1025732990.db2.gz BFNDBTJMLCSPQC-CYBMUJFWSA-N -1 0 327.808 3.502 20 0 EHADRM CCCC[C@H](NC(=O)[C@H](CC)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000347263066 1025762959 /nfs/dbraw/zinc/76/29/59/1025762959.db2.gz PQKVUQWJDGBDBI-KGLIPLIRSA-N -1 0 345.361 3.959 20 0 EHADRM C/C=C\C[C@H](NC(=O)N[C@@H](C)c1oc2ccccc2c1C)C(=O)[O-] ZINC000582285232 1025764048 /nfs/dbraw/zinc/76/40/48/1025764048.db2.gz VJKKGCLPSZMHHE-IXHFBFRBSA-N -1 0 330.384 3.521 20 0 EHADRM CC[C@@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C[C@@H](C)O1 ZINC000436547735 1025851863 /nfs/dbraw/zinc/85/18/63/1025851863.db2.gz PONDAJPQGFODCE-VXGBXAGGSA-N -1 0 333.815 3.838 20 0 EHADRM O=S(=O)([N-]c1cn[nH]c1)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000443287656 1025873188 /nfs/dbraw/zinc/87/31/88/1025873188.db2.gz RUVROTGGNUIYMX-UHFFFAOYSA-N -1 0 349.799 3.656 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000665316439 1025910823 /nfs/dbraw/zinc/91/08/23/1025910823.db2.gz FPGJQWJEWCRMBN-SJORKVTESA-N -1 0 332.444 3.670 20 0 EHADRM CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccccc2C(C)C)c1 ZINC000436606016 1025935851 /nfs/dbraw/zinc/93/58/51/1025935851.db2.gz LHEWGIIBUNXKSI-UHFFFAOYSA-N -1 0 347.436 3.909 20 0 EHADRM O=C(NCc1ccc2cc[nH]c2n1)c1ccc(Cl)c(Cl)c1[O-] ZINC000436608519 1025941208 /nfs/dbraw/zinc/94/12/08/1025941208.db2.gz ULIPTALNZRWIFF-UHFFFAOYSA-N -1 0 336.178 3.505 20 0 EHADRM CCOCc1ccc(CNC(=O)c2cc(F)cc(Cl)c2[O-])cc1 ZINC000436628846 1025956538 /nfs/dbraw/zinc/95/65/38/1025956538.db2.gz RMOVHNFWJQQGFO-UHFFFAOYSA-N -1 0 337.778 3.651 20 0 EHADRM O=C(Nc1ccc(-n2cccn2)cc1)c1ccc2ccccc2c1O ZINC000436629609 1025957799 /nfs/dbraw/zinc/95/77/99/1025957799.db2.gz KYKGGGVKPWVJGN-UHFFFAOYSA-N -1 0 329.359 3.983 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC000262413074 1025964014 /nfs/dbraw/zinc/96/40/14/1025964014.db2.gz PPVTUTJGISCZEA-AWEZNQCLSA-N -1 0 341.407 3.845 20 0 EHADRM C[C@@H](CNC(=O)c1ccc([O-])c(Cl)c1)Oc1ccc(Cl)cc1 ZINC000436639751 1025969839 /nfs/dbraw/zinc/96/98/39/1025969839.db2.gz RBDOTOMWZLQXIB-JTQLQIEISA-N -1 0 340.206 3.896 20 0 EHADRM Cc1ncn(-c2ccc(NC(=O)c3c([O-])cccc3F)cc2)c1C ZINC000436642516 1025990830 /nfs/dbraw/zinc/99/08/30/1025990830.db2.gz SZGXADADICRJAC-UHFFFAOYSA-N -1 0 325.343 3.586 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(F)c(F)c([O-])c2F)CCc2ccccc21 ZINC000652884838 1025991619 /nfs/dbraw/zinc/99/16/19/1025991619.db2.gz PXXCRSKLCZOENT-JTQLQIEISA-N -1 0 335.325 3.612 20 0 EHADRM O=S(=O)(NC[C@@H]1CCSC1)c1sc2ccccc2c1Cl ZINC000451481849 1026000250 /nfs/dbraw/zinc/00/02/50/1026000250.db2.gz UVXXLDGINZLDMV-VIFPVBQESA-N -1 0 347.914 3.586 20 0 EHADRM O=C(Nc1ccc(OC(F)F)cc1F)c1cc(F)c([O-])c(F)c1 ZINC000436665381 1026003476 /nfs/dbraw/zinc/00/34/76/1026003476.db2.gz NXWDBXDADSFMPX-UHFFFAOYSA-N -1 0 333.212 3.663 20 0 EHADRM CSCc1ccc(CNC(=O)c2cc(F)c([O-])c(Cl)c2)cc1 ZINC000436672341 1026014117 /nfs/dbraw/zinc/01/41/17/1026014117.db2.gz BXJKDLOQUYWTLI-UHFFFAOYSA-N -1 0 339.819 3.978 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2occc2-c2ccc(F)cc2)C1 ZINC000191209696 1026029285 /nfs/dbraw/zinc/02/92/85/1026029285.db2.gz BXOUGXQTTIIKMC-ZDUSSCGKSA-N -1 0 345.370 3.803 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cc(Br)ccc2C)c1 ZINC000436680318 1026031239 /nfs/dbraw/zinc/03/12/39/1026031239.db2.gz NEGFANJYCRIAGL-UHFFFAOYSA-N -1 0 348.196 3.918 20 0 EHADRM CCCCCn1cc(CNC(=O)c2ccc([O-])c(Cl)c2)c(C)n1 ZINC000436679466 1026031405 /nfs/dbraw/zinc/03/14/05/1026031405.db2.gz KYNOTANERZRIKA-UHFFFAOYSA-N -1 0 335.835 3.671 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1 ZINC000436681983 1026033141 /nfs/dbraw/zinc/03/31/41/1026033141.db2.gz TWIQCHOZTFTWDG-UHFFFAOYSA-N -1 0 347.798 3.883 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2ccc(Br)c(C)c2)c1 ZINC000436680407 1026034849 /nfs/dbraw/zinc/03/48/49/1026034849.db2.gz NTPSZCLLYYAHEM-UHFFFAOYSA-N -1 0 348.196 3.918 20 0 EHADRM O=C(NCC1(C(F)(F)F)CCC1)c1ccc(C(F)(F)F)cc1O ZINC000436690551 1026046670 /nfs/dbraw/zinc/04/66/70/1026046670.db2.gz ZKRSIVBKFCPJQU-UHFFFAOYSA-N -1 0 341.251 3.873 20 0 EHADRM CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000436736420 1026102695 /nfs/dbraw/zinc/10/26/95/1026102695.db2.gz GSXYROSSSHCLDZ-QFYYESIMSA-N -1 0 337.778 3.691 20 0 EHADRM C[C@H]1CC(CCNC(=O)c2cc(F)cc(Cl)c2[O-])C[C@H](C)O1 ZINC000436741132 1026109820 /nfs/dbraw/zinc/10/98/20/1026109820.db2.gz SIUGDRXRPSVNHB-UWVGGRQHSA-N -1 0 329.799 3.508 20 0 EHADRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(OCCC(C)C)cc1 ZINC000342540004 1026178585 /nfs/dbraw/zinc/17/85/85/1026178585.db2.gz CUOWRPIXQVXELY-UHFFFAOYSA-N -1 0 338.429 3.517 20 0 EHADRM Cc1cc(Nc2ccc(Br)cc2CO)cc(C(=O)[O-])c1 ZINC001211544889 1026229858 /nfs/dbraw/zinc/22/98/58/1026229858.db2.gz NDQIZVMQGBRGJU-UHFFFAOYSA-N -1 0 336.185 3.692 20 0 EHADRM O=C([O-])CN(Cc1ccccc1)C(=O)[C@H]1C[C@H]1c1ccccc1Cl ZINC000347358069 1026239770 /nfs/dbraw/zinc/23/97/70/1026239770.db2.gz FKCFIMUFUGAGKW-HOTGVXAUSA-N -1 0 343.810 3.557 20 0 EHADRM CC(C)c1ccc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)nc1 ZINC000582432431 1026245807 /nfs/dbraw/zinc/24/58/07/1026245807.db2.gz ZNLLDYLTQYDZAD-UHFFFAOYSA-N -1 0 340.423 3.712 20 0 EHADRM Cc1ccc2cccc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)c2n1 ZINC000530770631 1026279408 /nfs/dbraw/zinc/27/94/08/1026279408.db2.gz PFUWRUAYCUCKHB-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM O=c1nc(CN2CC3(CCC3)[C@H]2c2ccco2)[n-]c2ccsc21 ZINC000451863304 1026331519 /nfs/dbraw/zinc/33/15/19/1026331519.db2.gz VYFKJOAQJRGBAB-OAHLLOKOSA-N -1 0 327.409 3.717 20 0 EHADRM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000634822619 1026373452 /nfs/dbraw/zinc/37/34/52/1026373452.db2.gz ABEPOKLCCSMABK-OLZOCXBDSA-N -1 0 329.318 3.621 20 0 EHADRM Cc1cc(Nc2cc(OC(F)(F)F)ccc2N)cc(C(=O)[O-])c1 ZINC001211547091 1026442965 /nfs/dbraw/zinc/44/29/65/1026442965.db2.gz FACRGVMDMRHCPG-UHFFFAOYSA-N -1 0 326.274 3.918 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000531003425 1026464427 /nfs/dbraw/zinc/46/44/27/1026464427.db2.gz OOHUGLNMXDZYEY-KGLIPLIRSA-N -1 0 349.356 3.873 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N(C)C2CCC(C)(C)CC2)s1 ZINC000531039322 1026491443 /nfs/dbraw/zinc/49/14/43/1026491443.db2.gz ROKZFXQFAUKKFD-UHFFFAOYSA-N -1 0 328.507 3.505 20 0 EHADRM CCCOc1ccc(CN=c2nc(CC(C)C)[n-]s2)cc1OC ZINC000475346029 1026504336 /nfs/dbraw/zinc/50/43/36/1026504336.db2.gz ANACXDMNKWSRMQ-UHFFFAOYSA-N -1 0 335.473 3.568 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)s1 ZINC000054260865 1026668066 /nfs/dbraw/zinc/66/80/66/1026668066.db2.gz XDKDNFMYXVIUME-SECBINFHSA-N -1 0 345.449 3.859 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc3nc(C4CC4)sc3c2)CCC1 ZINC000262727844 1026701957 /nfs/dbraw/zinc/70/19/57/1026701957.db2.gz GXUIUQANVYFEGV-UHFFFAOYSA-N -1 0 330.409 3.757 20 0 EHADRM CC[C@H](C)CN(C)C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000531221586 1026702382 /nfs/dbraw/zinc/70/23/82/1026702382.db2.gz GLTWIAPREDUXFH-AWEZNQCLSA-N -1 0 329.444 3.819 20 0 EHADRM Cc1nn(C)c(C)c1N=c1[n-]nc(-c2cc3ccccc3o2)n1C1CC1 ZINC000582671777 1026908075 /nfs/dbraw/zinc/90/80/75/1026908075.db2.gz JKNIXEJRMQRABT-UHFFFAOYSA-N -1 0 348.410 3.542 20 0 EHADRM CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)c1n[nH]c(C)c1[O-] ZINC000684997085 1027007886 /nfs/dbraw/zinc/00/78/86/1027007886.db2.gz ORPWYYHGYVRUJF-UHFFFAOYSA-N -1 0 333.819 3.686 20 0 EHADRM CC(C)[C@H](C(=O)[O-])[S@@](=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000578319047 1027018187 /nfs/dbraw/zinc/01/81/87/1027018187.db2.gz DZATXUVDFKBKPM-SBKAZYGRSA-N -1 0 328.739 3.576 20 0 EHADRM CCCCn1ncc([N-]S(=O)(=O)c2c(F)cccc2Cl)c1C ZINC000126309952 1027188899 /nfs/dbraw/zinc/18/88/99/1027188899.db2.gz HZPHYFKIBJZUGH-UHFFFAOYSA-N -1 0 345.827 3.585 20 0 EHADRM COC(=O)C1CCC(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000273610629 1027518187 /nfs/dbraw/zinc/51/81/87/1027518187.db2.gz LUOAZSKWNDPYDU-UHFFFAOYSA-N -1 0 346.210 3.617 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000582775122 1027646801 /nfs/dbraw/zinc/64/68/01/1027646801.db2.gz RDJFHCRLLFHHBB-OAHLLOKOSA-N -1 0 348.443 3.830 20 0 EHADRM Cc1ccnc([C@@H](N=c2nc(C3CCCCC3)[n-]s2)C2CC2)n1 ZINC000420615349 1027659667 /nfs/dbraw/zinc/65/96/67/1027659667.db2.gz PWYQAEHKICDEQU-AWEZNQCLSA-N -1 0 329.473 3.669 20 0 EHADRM COc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000614785468 1027659673 /nfs/dbraw/zinc/65/96/73/1027659673.db2.gz IUPYLOCFQPRHMM-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM C[C@H](NC(=O)CC1(C(=O)[O-])CCC1)c1cccc(Cl)c1Cl ZINC000262528546 1027697548 /nfs/dbraw/zinc/69/75/48/1027697548.db2.gz PDSWUUDTBHDMAY-VIFPVBQESA-N -1 0 330.211 3.816 20 0 EHADRM CCC[C@H](C(=O)[O-])[S@](=O)[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000574496717 1027874585 /nfs/dbraw/zinc/87/45/85/1027874585.db2.gz REWKSSNPXMMTAL-XSMGZQRLSA-N -1 0 338.347 3.648 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CC2(C(=O)[O-])CCC2)C2CC2)o1 ZINC000262550054 1027945632 /nfs/dbraw/zinc/94/56/32/1027945632.db2.gz SWAHWPDWSPIVSS-IUODEOHRSA-N -1 0 331.412 3.539 20 0 EHADRM O=S(=O)([N-]c1cc(C2CC2)nn1-c1ccccc1)c1cccs1 ZINC000078558199 1027958242 /nfs/dbraw/zinc/95/82/42/1027958242.db2.gz ZAUWYBNZVWFLRF-UHFFFAOYSA-N -1 0 345.449 3.612 20 0 EHADRM CC[C@H]1CN(C(=O)N=c2cc(C)c(C)n[n-]2)CC[C@@H]1c1ccccc1 ZINC000467490417 1028146319 /nfs/dbraw/zinc/14/63/19/1028146319.db2.gz PHEQORLHOYQPLK-WMZOPIPTSA-N -1 0 338.455 3.563 20 0 EHADRM Cc1cccc(C2(C(=O)N3CCC[C@@H](CC(=O)[O-])C3)CCCC2)c1 ZINC000532693299 1028160438 /nfs/dbraw/zinc/16/04/38/1028160438.db2.gz KUEQBHSACCOJLO-INIZCTEOSA-N -1 0 329.440 3.520 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2ccc(Br)cn2)c1 ZINC001211958265 1028167870 /nfs/dbraw/zinc/16/78/70/1028167870.db2.gz IESJZYOHFITLFE-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)nn1C(C)C ZINC000421175468 1028174542 /nfs/dbraw/zinc/17/45/42/1028174542.db2.gz PPBHYCUWLHAGHC-UHFFFAOYSA-N -1 0 348.255 3.880 20 0 EHADRM Cn1nc(Nc2cc(Cl)cc(C(=O)[O-])c2)c2ccc(Cl)nc21 ZINC001211960463 1028189185 /nfs/dbraw/zinc/18/91/85/1028189185.db2.gz AXORQJPAUUTDNU-UHFFFAOYSA-N -1 0 337.166 3.717 20 0 EHADRM CC[C@@H](CS(=O)(=O)[N-]c1ccc(Cl)cc1C(F)(F)F)OC ZINC000421231782 1028214700 /nfs/dbraw/zinc/21/47/00/1028214700.db2.gz XSOBRAFQYMMLGH-VIFPVBQESA-N -1 0 345.770 3.526 20 0 EHADRM Cc1n[nH]c(C)c1[N-]S(=O)(=O)c1c(C)sc2c1cccc2C ZINC000421238829 1028224574 /nfs/dbraw/zinc/22/45/74/1028224574.db2.gz TUDCJBLINZNRBM-UHFFFAOYSA-N -1 0 335.454 3.659 20 0 EHADRM Fc1ccc(Cc2n[n-]c(=N[C@H]3CCCC(F)(F)C3)s2)cc1 ZINC000544394206 1028257688 /nfs/dbraw/zinc/25/76/88/1028257688.db2.gz GNRKKXFFCHKUBW-LBPRGKRZSA-N -1 0 327.375 3.680 20 0 EHADRM Cc1ccc(CC(=O)N=c2nc(-c3sccc3C)[n-]s2)s1 ZINC000472273532 1028313091 /nfs/dbraw/zinc/31/30/91/1028313091.db2.gz BPXLXFUQXWVQES-UHFFFAOYSA-N -1 0 335.479 3.548 20 0 EHADRM NC(=O)c1ccc(Nc2cc(Cl)cc(C(=O)[O-])c2)cc1Cl ZINC001211966835 1028317163 /nfs/dbraw/zinc/31/71/63/1028317163.db2.gz NQALQJKPJOBAOS-UHFFFAOYSA-N -1 0 325.151 3.534 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1cccc(Cl)c1Cl)CC(=O)[O-] ZINC000088272658 1028359568 /nfs/dbraw/zinc/35/95/68/1028359568.db2.gz AYYLWZZIXJAHCH-JTQLQIEISA-N -1 0 332.227 3.860 20 0 EHADRM Cc1cc(C)cc(NC(=O)N=c2[n-]nc(-c3ccsc3)s2)c1 ZINC000502588579 1028381071 /nfs/dbraw/zinc/38/10/71/1028381071.db2.gz YLUVYLLYIZUAGV-UHFFFAOYSA-N -1 0 330.438 3.949 20 0 EHADRM C[C@@H]1CC[C@@H](NC(=O)N=c2[n-]nc(-c3ccsc3)s2)[C@@H](C)C1 ZINC000502587960 1028382195 /nfs/dbraw/zinc/38/21/95/1028382195.db2.gz WDYNMJCONPECNA-JFGNBEQYSA-N -1 0 336.486 3.635 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2cccc(F)c2OC2COC2)c1 ZINC001211969334 1028400733 /nfs/dbraw/zinc/40/07/33/1028400733.db2.gz DQBSQXIYTOZCCU-UHFFFAOYSA-N -1 0 337.734 3.699 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cccc(OC2CCCC2)c1 ZINC000237942179 1028484006 /nfs/dbraw/zinc/48/40/06/1028484006.db2.gz NHTZCOPJMPDGAT-INIZCTEOSA-N -1 0 345.439 3.868 20 0 EHADRM CN(Cc1cccc(Cl)c1)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000072857253 1028525121 /nfs/dbraw/zinc/52/51/21/1028525121.db2.gz UYCSDQNTOCKQCS-UHFFFAOYSA-N -1 0 341.798 3.504 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)Nc2ccccc2OC(C)C)s1 ZINC000502679315 1028547622 /nfs/dbraw/zinc/54/76/22/1028547622.db2.gz KARFTWVWQJDDPE-UHFFFAOYSA-N -1 0 334.445 3.734 20 0 EHADRM CCOc1ccccc1NC(=O)N=c1[n-]nc(C(CC)CC)s1 ZINC000502680400 1028548222 /nfs/dbraw/zinc/54/82/22/1028548222.db2.gz QMBOYTGKEQERBA-UHFFFAOYSA-N -1 0 334.445 3.906 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000236609332 1028560598 /nfs/dbraw/zinc/56/05/98/1028560598.db2.gz LYCSZFJDILUXLL-WZRBSPASSA-N -1 0 344.238 3.712 20 0 EHADRM CC(C)C[C@@H](NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000236774027 1028580735 /nfs/dbraw/zinc/58/07/35/1028580735.db2.gz OPCXQUMQQUFHTN-BXUZGUMPSA-N -1 0 345.361 3.815 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000236835160 1028590888 /nfs/dbraw/zinc/59/08/88/1028590888.db2.gz JROQXSIJNLMDFT-VXGBXAGGSA-N -1 0 343.345 3.569 20 0 EHADRM CCC[C@@H](NC(=O)c1ccc(C(=O)[O-])s1)c1ccc(F)cc1F ZINC000236884149 1028592107 /nfs/dbraw/zinc/59/21/07/1028592107.db2.gz TYVQGPYJNNYUHU-GFCCVEGCSA-N -1 0 339.363 3.996 20 0 EHADRM Cc1oc(CNC(=O)c2cc3c(s2)CCCCC3)cc1C(=O)[O-] ZINC000261619600 1028603567 /nfs/dbraw/zinc/60/35/67/1028603567.db2.gz ARDOVOBIBBWNRB-UHFFFAOYSA-N -1 0 333.409 3.547 20 0 EHADRM CN(Cc1csc2ccccc12)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000237190251 1028640198 /nfs/dbraw/zinc/64/01/98/1028640198.db2.gz QVVMEAJEEAKITN-UHFFFAOYSA-N -1 0 325.389 3.872 20 0 EHADRM CCc1cc(C(=O)N[C@@H](C)c2nc(C)c(C(=O)[O-])s2)sc1C ZINC000237122530 1028642680 /nfs/dbraw/zinc/64/26/80/1028642680.db2.gz RLERNULPTSAXFS-QMMMGPOBSA-N -1 0 338.454 3.573 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)CC(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000075240456 1028644173 /nfs/dbraw/zinc/64/41/73/1028644173.db2.gz HBTFMMIWCHITRG-MGPUTAFESA-N -1 0 339.435 3.824 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC000237424134 1028650852 /nfs/dbraw/zinc/65/08/52/1028650852.db2.gz RKBRPLJZZRMKRU-LLVKDONJSA-N -1 0 349.333 3.740 20 0 EHADRM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccccc1)c1cc2ccccc2o1 ZINC000237478442 1028652503 /nfs/dbraw/zinc/65/25/03/1028652503.db2.gz QWUZENXHHRLIAK-CJNGLKHVSA-N -1 0 337.375 3.869 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1cccc(Cl)c1)C(=O)[O-] ZINC000237490727 1028653940 /nfs/dbraw/zinc/65/39/40/1028653940.db2.gz ZRNIITJFOORHNQ-ZDUSSCGKSA-N -1 0 331.799 3.703 20 0 EHADRM Cc1ccc2oc(C(=O)N[C@H](CC(=O)[O-])c3ccccc3C)cc2c1 ZINC000237910701 1028670085 /nfs/dbraw/zinc/67/00/85/1028670085.db2.gz MZEYEIGDESCZNJ-MRXNPFEDSA-N -1 0 337.375 3.995 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)o1 ZINC000238017779 1028673501 /nfs/dbraw/zinc/67/35/01/1028673501.db2.gz DHUOTCRIEKKWES-KRWDZBQOSA-N -1 0 347.370 3.766 20 0 EHADRM COc1cccc(/C(C)=C/C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC000237355720 1028712636 /nfs/dbraw/zinc/71/26/36/1028712636.db2.gz WGFUTOYFZAWCAN-RKZGRAQHSA-N -1 0 337.375 3.835 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)N2CCC[C@@]3(CC=CCC3)C2)s[n-]1 ZINC000523925445 1028719656 /nfs/dbraw/zinc/71/96/56/1028719656.db2.gz ZAIOILJOGDSGOD-KRWDZBQOSA-N -1 0 334.489 3.612 20 0 EHADRM Cc1ccc(C)c(S([O-])=CC(=O)N2CCC[C@@H]3CCCC[C@H]32)c1 ZINC000247287834 1028770483 /nfs/dbraw/zinc/77/04/83/1028770483.db2.gz ZXAXFNMHEISFGO-YGKZAACZSA-N -1 0 333.497 3.592 20 0 EHADRM CC1(CS(=O)(=O)[N-]CC(F)(F)c2ccccc2)CCCCC1 ZINC001212042253 1028815682 /nfs/dbraw/zinc/81/56/82/1028815682.db2.gz DUQNRBXYQZMTNW-UHFFFAOYSA-N -1 0 331.428 3.668 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)[C@@H]2CCC(C)(C)C2)c1C ZINC000781756041 1028833943 /nfs/dbraw/zinc/83/39/43/1028833943.db2.gz HGUUYZGXBYELKR-OAHLLOKOSA-N -1 0 337.485 3.551 20 0 EHADRM Cc1cc(F)c(S(=O)(=O)[N-]c2nc(C(C)C)cs2)c(F)c1 ZINC000424210838 1028874630 /nfs/dbraw/zinc/87/46/30/1028874630.db2.gz VHNDXPQNSUGCDD-UHFFFAOYSA-N -1 0 332.397 3.654 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])C(=O)Nc1ccc(Br)c(F)c1C ZINC000634845492 1028917899 /nfs/dbraw/zinc/91/78/99/1028917899.db2.gz KEAXNKMLFGUDRV-AWEZNQCLSA-N -1 0 346.196 3.726 20 0 EHADRM Cc1nc(CN2CCC[C@@H](C)[C@H]2C(=O)[O-])oc1-c1ccc(Cl)cc1 ZINC000424267026 1028922660 /nfs/dbraw/zinc/92/26/60/1028922660.db2.gz JSGOZZXCNLXOMJ-BZNIZROVSA-N -1 0 348.830 3.989 20 0 EHADRM C[C@H]1CCCC[C@H]1N(C)C(=O)N=c1[n-]nc(-c2ccsc2)s1 ZINC000503003090 1028961844 /nfs/dbraw/zinc/96/18/44/1028961844.db2.gz FBQKNHKFBOBJOO-CMPLNLGQSA-N -1 0 336.486 3.731 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1ccccc1C(C)(F)F)C(=O)[O-] ZINC000424393359 1029027403 /nfs/dbraw/zinc/02/74/03/1029027403.db2.gz WGXFPTKIUAANJM-NSHDSACASA-N -1 0 328.359 3.667 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc(C(C)=O)c(Cl)c1)C(=O)[O-] ZINC000424381656 1029036813 /nfs/dbraw/zinc/03/68/13/1029036813.db2.gz NAYVIAOIPUNWAO-UHFFFAOYSA-N -1 0 340.807 3.555 20 0 EHADRM CCN(Cc1ccc2ccccc2c1)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424400146 1029050891 /nfs/dbraw/zinc/05/08/91/1029050891.db2.gz SRQKTHZTPYRSNI-UHFFFAOYSA-N -1 0 342.439 3.872 20 0 EHADRM O=C(Nc1n[nH]c(-c2ccco2)n1)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000076989445 1029068841 /nfs/dbraw/zinc/06/88/41/1029068841.db2.gz GQIJWSKWJUQRRT-RKDXNWHRSA-N -1 0 346.749 3.599 20 0 EHADRM CSc1ccccc1[C@H](C)NC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000424452400 1029086972 /nfs/dbraw/zinc/08/69/72/1029086972.db2.gz QCJVTZZPEPHIFU-QWHCGFSZSA-N -1 0 338.473 3.516 20 0 EHADRM O=S(=O)(NCc1ccc(Sc2ccccc2)cc1)c1ccco1 ZINC000445746775 1029092780 /nfs/dbraw/zinc/09/27/80/1029092780.db2.gz DFEDYPHYYUCOQY-UHFFFAOYSA-N -1 0 345.445 3.909 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)NCCCc2ccccc2)s1 ZINC000503155315 1029095554 /nfs/dbraw/zinc/09/55/54/1029095554.db2.gz MSYQKPFEVXVIND-UHFFFAOYSA-N -1 0 332.473 3.618 20 0 EHADRM CCCCN(C(=O)N=c1[n-]nc(C(F)F)s1)C1CCCCC1 ZINC000454588303 1029105671 /nfs/dbraw/zinc/10/56/71/1029105671.db2.gz KZCXYGRURPHRMZ-UHFFFAOYSA-N -1 0 332.420 3.864 20 0 EHADRM Cc1cc(C(=O)N[C@H](C)CCC(=O)[O-])c(C)n1-c1cccc(Cl)c1 ZINC000237419761 1029194161 /nfs/dbraw/zinc/19/41/61/1029194161.db2.gz SSXVTASQIOKJMZ-LLVKDONJSA-N -1 0 348.830 3.731 20 0 EHADRM CC[C@H](c1n[n-]c(=NC(=O)NC2CC(C)(F)C2)s1)c1ccccc1 ZINC000454748898 1029267034 /nfs/dbraw/zinc/26/70/34/1029267034.db2.gz XSPPBRLJKRJRAU-JZLYGMAVSA-N -1 0 348.447 3.514 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCC(C)CC3)n2)c1 ZINC000154813923 1029327468 /nfs/dbraw/zinc/32/74/68/1029327468.db2.gz UPJYBKDJAKUQMG-UHFFFAOYSA-N -1 0 327.428 3.573 20 0 EHADRM COc1cccc([C@H](C)CC(=O)Nc2cc(C(C)=O)ccc2[O-])c1 ZINC000272232197 1029371570 /nfs/dbraw/zinc/37/15/70/1029371570.db2.gz LXUPALOPDOGTSY-GFCCVEGCSA-N -1 0 327.380 3.736 20 0 EHADRM O=C([N-]c1nc(-c2ccsc2)ns1)c1c(F)cc(F)cc1F ZINC000155139069 1029442252 /nfs/dbraw/zinc/44/22/52/1029442252.db2.gz ADUUENACIBRZBV-UHFFFAOYSA-N -1 0 341.339 3.936 20 0 EHADRM CCc1oc(C(=O)N2CCc3sccc3[C@H]2CC)cc1C(=O)[O-] ZINC000261604006 1029460812 /nfs/dbraw/zinc/46/08/12/1029460812.db2.gz CXKHJWFKZFGBPK-GFCCVEGCSA-N -1 0 333.409 3.751 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)/C=C\c1ccc(Cl)s1 ZINC000692410522 1029464873 /nfs/dbraw/zinc/46/48/73/1029464873.db2.gz ZIFVSCANEQTKNS-CLFYSBASSA-N -1 0 349.839 3.918 20 0 EHADRM O=C(Nc1ccc(-c2cncnc2)cc1)c1cc(F)c([O-])c(Cl)c1 ZINC000446169160 1029467226 /nfs/dbraw/zinc/46/72/26/1029467226.db2.gz WDYONCNALOEFBB-UHFFFAOYSA-N -1 0 343.745 3.894 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N(CCC(F)(F)F)CC1CC1 ZINC000272593226 1029526000 /nfs/dbraw/zinc/52/60/00/1029526000.db2.gz IVUSHPCDTHIXFI-UHFFFAOYSA-N -1 0 341.251 3.614 20 0 EHADRM CC[C@H](NC(=O)N=c1[n-]nc(C(C)(C)C)s1)c1ccc(C)cc1 ZINC000513871256 1029550289 /nfs/dbraw/zinc/55/02/89/1029550289.db2.gz NQEGIKHAMIEAFB-ZDUSSCGKSA-N -1 0 332.473 3.839 20 0 EHADRM C[C@@H](CC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccccc1F ZINC000262170151 1029569269 /nfs/dbraw/zinc/56/92/69/1029569269.db2.gz LIEAHQDYACVKFZ-SUMWQHHRSA-N -1 0 341.382 3.530 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2F)CC[C@@H]1c1ccccc1 ZINC000262327568 1029584407 /nfs/dbraw/zinc/58/44/07/1029584407.db2.gz DMYMLPLJZAHLAN-BBRMVZONSA-N -1 0 341.382 3.790 20 0 EHADRM Cc1cc(NC(=O)c2c([O-])cccc2F)ccc1OC1CCOCC1 ZINC000125707026 1029588775 /nfs/dbraw/zinc/58/87/75/1029588775.db2.gz JCAOWADJRZGWCW-UHFFFAOYSA-N -1 0 345.370 3.650 20 0 EHADRM C/C=C(/CC)C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000588574807 1029601626 /nfs/dbraw/zinc/60/16/26/1029601626.db2.gz MKLGMMYKZJVWCM-BNNQUZSASA-N -1 0 344.436 3.782 20 0 EHADRM C[C@@H]1[C@@H](c2cccc(F)c2)OCCN1C(=O)c1cc(Cl)ccc1O ZINC000648584980 1029626875 /nfs/dbraw/zinc/62/68/75/1029626875.db2.gz LRGAKQCIOALGAQ-DIFFPNOSSA-N -1 0 349.789 3.787 20 0 EHADRM CC(C)n1nc2c(c1NC(=O)c1cc(F)c([O-])c(Cl)c1)CCC2 ZINC000446416879 1029626891 /nfs/dbraw/zinc/62/68/91/1029626891.db2.gz YSPDGRAXWNOQHB-UHFFFAOYSA-N -1 0 337.782 3.703 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)NCc2nc(C(=O)[O-])cs2)cc1 ZINC000262794341 1029634325 /nfs/dbraw/zinc/63/43/25/1029634325.db2.gz QJGCTMSDSQIFJE-ONEGZZNKSA-N -1 0 344.436 3.684 20 0 EHADRM Cc1ccc(CCCCC(=O)N2CC[C@@](C(=O)[O-])(C(C)C)C2)cc1 ZINC000262811722 1029639362 /nfs/dbraw/zinc/63/93/62/1029639362.db2.gz DLZPOVRBFVVGHD-FQEVSTJZSA-N -1 0 331.456 3.667 20 0 EHADRM CC(C)[C@H](NC(=O)CC1(C(=O)[O-])CCC1)c1ccc(Cl)cc1F ZINC000262860892 1029646212 /nfs/dbraw/zinc/64/62/12/1029646212.db2.gz VJBHNRBBHJEQHZ-HNNXBMFYSA-N -1 0 341.810 3.937 20 0 EHADRM CC(C)Sc1ccccc1NC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000263010883 1029657157 /nfs/dbraw/zinc/65/71/57/1029657157.db2.gz HMFNVJBRQDAOCB-SCLBCKFNSA-N -1 0 348.468 3.906 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(C(=O)[C@@H]2CCC[C@@H](F)C2)CC1 ZINC000263030421 1029657763 /nfs/dbraw/zinc/65/77/63/1029657763.db2.gz GYNJNGAHBZKNIJ-IAGOWNOFSA-N -1 0 347.430 3.694 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(C(=O)[C@H]2CCC[C@@H](F)C2)CC1 ZINC000263030420 1029658209 /nfs/dbraw/zinc/65/82/09/1029658209.db2.gz GYNJNGAHBZKNIJ-DLBZAZTESA-N -1 0 347.430 3.694 20 0 EHADRM Cc1cscc1C(=O)N[C@@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC000263035258 1029659730 /nfs/dbraw/zinc/65/97/30/1029659730.db2.gz MZNJXCKYFJZQBT-YOEHRIQHSA-N -1 0 343.448 3.750 20 0 EHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)CCc1ccc(-c2ccccc2)[nH]1 ZINC000263072175 1029663635 /nfs/dbraw/zinc/66/36/35/1029663635.db2.gz UGGCTLRKZRDDLH-HXUWFJFHSA-N -1 0 342.439 3.620 20 0 EHADRM CCc1ccc(-c2nc(CN([C@@H](C)C(=O)[O-])C3CC3)cs2)cc1 ZINC000263083966 1029664732 /nfs/dbraw/zinc/66/47/32/1029664732.db2.gz IBXOYKFIWBPYFK-LBPRGKRZSA-N -1 0 330.453 3.810 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)CCC(C)(C)c2ccccc2)C1 ZINC000263082626 1029664997 /nfs/dbraw/zinc/66/49/97/1029664997.db2.gz UXRGJONHBXPDJP-HXUWFJFHSA-N -1 0 331.456 3.704 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@@H]2CCCc3ccccc32)cc1F ZINC000263119445 1029667663 /nfs/dbraw/zinc/66/76/63/1029667663.db2.gz FBSUMIYMYVNMTM-MRXNPFEDSA-N -1 0 327.355 3.511 20 0 EHADRM Cc1ccc(Nc2nc(CN([C@H](C)C(=O)[O-])C3CC3)cs2)cc1 ZINC000263163266 1029670071 /nfs/dbraw/zinc/67/00/71/1029670071.db2.gz QXTLAPWIMSZKBK-GFCCVEGCSA-N -1 0 331.441 3.633 20 0 EHADRM Cc1ccc(Nc2nc(CN([C@@H](C)C(=O)[O-])C3CC3)cs2)cc1 ZINC000263163267 1029670553 /nfs/dbraw/zinc/67/05/53/1029670553.db2.gz QXTLAPWIMSZKBK-LBPRGKRZSA-N -1 0 331.441 3.633 20 0 EHADRM Cc1cc(C)c(CC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c(C)c1 ZINC000263174598 1029671176 /nfs/dbraw/zinc/67/11/76/1029671176.db2.gz GKAFGJKSNWIAGW-HNNXBMFYSA-N -1 0 325.408 3.981 20 0 EHADRM COc1ccc(C[C@H](C)C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)cc1 ZINC000263196581 1029672740 /nfs/dbraw/zinc/67/27/40/1029672740.db2.gz JGNGBOJWZBJHMK-UONOGXRCSA-N -1 0 341.407 3.701 20 0 EHADRM Cc1cc2c(cc1C)[C@@H](C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1)CO2 ZINC000263207994 1029674206 /nfs/dbraw/zinc/67/42/06/1029674206.db2.gz KZXPLRVOEMAWKQ-DYVFJYSZSA-N -1 0 339.391 3.606 20 0 EHADRM C/C=C/C[C@H](NC(=O)c1ccc(Cl)cc1SCC)C(=O)[O-] ZINC000263239334 1029678480 /nfs/dbraw/zinc/67/84/80/1029678480.db2.gz DQBKMOQJPBSWDU-PYEVWLCESA-N -1 0 327.833 3.601 20 0 EHADRM CCC[C@@H](CNC(=O)CCc1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000263239322 1029678906 /nfs/dbraw/zinc/67/89/06/1029678906.db2.gz TWGNMJXXYHCZLP-INIZCTEOSA-N -1 0 347.455 3.558 20 0 EHADRM Cc1ccc(C[C@@H](C)C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1 ZINC000263248372 1029680133 /nfs/dbraw/zinc/68/01/33/1029680133.db2.gz SNAPMYVWWPXQNQ-CYBMUJFWSA-N -1 0 329.371 3.579 20 0 EHADRM CCC[C@H](CNC(=O)c1cccc(OCc2cccs2)c1)C(=O)[O-] ZINC000263252883 1029680840 /nfs/dbraw/zinc/68/08/40/1029680840.db2.gz VKXHDZBFIVLMJF-CQSZACIVSA-N -1 0 347.436 3.558 20 0 EHADRM O=C([O-])CCCCC(=O)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000263260456 1029681094 /nfs/dbraw/zinc/68/10/94/1029681094.db2.gz GJPRTNPYOVSMNE-HNNXBMFYSA-N -1 0 331.437 3.793 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)CSc1ccc2ccccc2c1 ZINC000263318957 1029687427 /nfs/dbraw/zinc/68/74/27/1029687427.db2.gz JEMCOLFJCZXOAL-CXAGYDPISA-N -1 0 343.448 3.644 20 0 EHADRM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000263323280 1029687898 /nfs/dbraw/zinc/68/78/98/1029687898.db2.gz OCPBVTYKXTWIAR-OWSLCNJRSA-N -1 0 329.440 3.672 20 0 EHADRM C/C=C/C[C@@H](NC(=O)CCCCc1nc2ccccc2s1)C(=O)[O-] ZINC000263315138 1029688217 /nfs/dbraw/zinc/68/82/17/1029688217.db2.gz YUKAHXCUVARVGB-BAABZTOOSA-N -1 0 346.452 3.545 20 0 EHADRM CN(C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccc(Oc2ccccc2)cc1 ZINC000263344562 1029688938 /nfs/dbraw/zinc/68/89/38/1029688938.db2.gz SVYFSRPGAZHPJI-CABCVRRESA-N -1 0 339.391 3.943 20 0 EHADRM CCCCOc1ccccc1NC(=O)c1ccc(C(=O)[O-])c(C)n1 ZINC000263324224 1029689489 /nfs/dbraw/zinc/68/94/89/1029689489.db2.gz JTFVETPWXBVFOO-UHFFFAOYSA-N -1 0 328.368 3.519 20 0 EHADRM CC(C)c1ncc(Cl)c(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)n1 ZINC000263349476 1029690802 /nfs/dbraw/zinc/69/08/02/1029690802.db2.gz VDABXHABCMSLCX-SNVBAGLBSA-N -1 0 347.802 3.694 20 0 EHADRM CCCCOc1ccc([C@H](C)Nc2cnc(C(=O)[O-])cn2)cc1OC ZINC000263407229 1029694517 /nfs/dbraw/zinc/69/45/17/1029694517.db2.gz LATGJYSNXNTUFX-LBPRGKRZSA-N -1 0 345.399 3.535 20 0 EHADRM C[C@H](NC(=O)c1cc(Cl)ccc1OC1CCCC1)[C@H](C)C(=O)[O-] ZINC000263430676 1029695872 /nfs/dbraw/zinc/69/58/72/1029695872.db2.gz KOBMRVUUDFMNGN-QWRGUYRKSA-N -1 0 339.819 3.500 20 0 EHADRM C[C@@H](CN(C)C(=O)Nc1ccc(OCC2CCCCC2)cc1)C(=O)[O-] ZINC000263462054 1029700246 /nfs/dbraw/zinc/70/02/46/1029700246.db2.gz DYTCWNDNXFAQIZ-AWEZNQCLSA-N -1 0 348.443 3.830 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)cc1 ZINC000263512465 1029705086 /nfs/dbraw/zinc/70/50/86/1029705086.db2.gz CTMKGHRRIOHXSP-VAMGGRTRSA-N -1 0 349.430 3.722 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]c1ccc(C)cn1 ZINC000469987689 1029705828 /nfs/dbraw/zinc/70/58/28/1029705828.db2.gz ULEZUYCCIRSOJA-UHFFFAOYSA-N -1 0 336.800 3.899 20 0 EHADRM O=C([O-])C1(CC(=O)N2CCC(c3ccc(Cl)cc3)CC2)CCC1 ZINC000263521978 1029706667 /nfs/dbraw/zinc/70/66/67/1029706667.db2.gz HQGLKOORFKWMBB-UHFFFAOYSA-N -1 0 335.831 3.691 20 0 EHADRM CCc1ccc([C@@H]2CCCCN2C(=O)Cc2ccccc2C(=O)[O-])o1 ZINC000263524063 1029707454 /nfs/dbraw/zinc/70/74/54/1029707454.db2.gz IUSIMGUCXWDDDN-KRWDZBQOSA-N -1 0 341.407 3.837 20 0 EHADRM Cc1ccccc1[C@@H](C)N(C)C(=O)CCc1ccccc1C(=O)[O-] ZINC000263519867 1029707704 /nfs/dbraw/zinc/70/77/04/1029707704.db2.gz GQGFOGVGUOOTGC-OAHLLOKOSA-N -1 0 325.408 3.845 20 0 EHADRM Cc1nc([C@H](C)NC(=O)c2cc(C(C)C)oc2C)sc1C(=O)[O-] ZINC000263527549 1029709462 /nfs/dbraw/zinc/70/94/62/1029709462.db2.gz KSZCLCIVKQZXBR-VIFPVBQESA-N -1 0 336.413 3.666 20 0 EHADRM Cc1ccc(C)c(C(=O)N(C)C2CCC(F)(F)CC2)c1C(=O)[O-] ZINC000634944269 1029739144 /nfs/dbraw/zinc/73/91/44/1029739144.db2.gz SKCJGRKQJOSIEQ-UHFFFAOYSA-N -1 0 325.355 3.652 20 0 EHADRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)NC1CCCCCC1 ZINC000566539347 1029826524 /nfs/dbraw/zinc/82/65/24/1029826524.db2.gz KDOWJKWZHWYCRP-UHFFFAOYSA-N -1 0 338.835 3.659 20 0 EHADRM O=S(=O)([N-]C1(c2cccc(Cl)c2)CC1)c1c(F)cccc1F ZINC000525405129 1029837124 /nfs/dbraw/zinc/83/71/24/1029837124.db2.gz WCFGSSJBEYMVSA-UHFFFAOYSA-N -1 0 343.782 3.586 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N2C[C@@H](C)C[C@@H]2C)s1)c1ccccc1 ZINC000525413455 1029841890 /nfs/dbraw/zinc/84/18/90/1029841890.db2.gz GADVYPXEBZWECY-KCQAQPDRSA-N -1 0 344.484 3.764 20 0 EHADRM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1cc(C)cc(C)n1 ZINC000446958499 1029865034 /nfs/dbraw/zinc/86/50/34/1029865034.db2.gz FHRYWTGGNIERTD-UHFFFAOYSA-N -1 0 334.372 3.693 20 0 EHADRM C[C@H]1C[C@@H](CSc2n[n-]c(=NC3CCCCC3)s2)CCO1 ZINC000447104704 1029943123 /nfs/dbraw/zinc/94/31/23/1029943123.db2.gz BEKVPWOAIVWIEP-RYUDHWBXSA-N -1 0 327.519 3.612 20 0 EHADRM Cc1cc([C@H](C)N2CCO[C@@H](CCc3ccccc3)C2)oc1C(=O)[O-] ZINC000583504998 1029956685 /nfs/dbraw/zinc/95/66/85/1029956685.db2.gz NUTWSHKSQUJWCM-RDJZCZTQSA-N -1 0 343.423 3.681 20 0 EHADRM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)c1 ZINC000120543247 1030044779 /nfs/dbraw/zinc/04/47/79/1030044779.db2.gz XAOBDYGUAGNQMR-UHFFFAOYSA-N -1 0 341.791 3.791 20 0 EHADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccc(C2CCC2)cc1 ZINC000447264949 1030052716 /nfs/dbraw/zinc/05/27/16/1030052716.db2.gz DRFLQMWLXWXTHY-UHFFFAOYSA-N -1 0 345.420 3.762 20 0 EHADRM Cc1n[nH]c(C)c1[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000090230339 1030094696 /nfs/dbraw/zinc/09/46/96/1030094696.db2.gz GBODFFKNWHCJLM-UHFFFAOYSA-N -1 0 341.845 3.695 20 0 EHADRM Cc1noc(C)c1[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000447339862 1030105001 /nfs/dbraw/zinc/10/50/01/1030105001.db2.gz IJTTYPNTLCVIHJ-UHFFFAOYSA-N -1 0 336.800 3.899 20 0 EHADRM O=C(c1cccc(Br)c1[O-])N1CCC2(C1)CCCCC2 ZINC000525774503 1030111199 /nfs/dbraw/zinc/11/11/99/1030111199.db2.gz QXLJVDGSTBJFHW-UHFFFAOYSA-N -1 0 338.245 3.951 20 0 EHADRM CC(C)N(C)c1ccc(/C=C/c2ncc(/C=C\C(=O)[O-])s2)cn1 ZINC000588578685 1030117212 /nfs/dbraw/zinc/11/72/12/1030117212.db2.gz HNIBUEMCEPMJMJ-OWNHSFIXSA-N -1 0 329.425 3.651 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1ccccc1OCC(C)C ZINC000120952276 1030135668 /nfs/dbraw/zinc/13/56/68/1030135668.db2.gz MKSKBLFSSWDZEE-UHFFFAOYSA-N -1 0 341.454 3.592 20 0 EHADRM Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000126863830 1030183045 /nfs/dbraw/zinc/18/30/45/1030183045.db2.gz RJDVZUDCCHUMFW-UHFFFAOYSA-N -1 0 326.805 3.623 20 0 EHADRM CC(C)C[C@@H]1CCCN1C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000447443878 1030197579 /nfs/dbraw/zinc/19/75/79/1030197579.db2.gz XCKLWCBRTALRCN-HNNXBMFYSA-N -1 0 347.846 3.882 20 0 EHADRM CC(C)c1nc2cc(NC(=O)c3ccc(C(=O)[O-])s3)ccc2o1 ZINC000531997011 1030207345 /nfs/dbraw/zinc/20/73/45/1030207345.db2.gz XRDPJSOGHSAAPD-UHFFFAOYSA-N -1 0 330.365 3.963 20 0 EHADRM Cc1ccc2c(CCNC(=O)c3cc(F)c(F)c([O-])c3F)c[nH]c2c1 ZINC000525895083 1030221431 /nfs/dbraw/zinc/22/14/31/1030221431.db2.gz QOPHAUORWDEHRV-UHFFFAOYSA-N -1 0 348.324 3.572 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N[C@@H](C)Cc1ccsc1)C(=O)[O-] ZINC000531996051 1030246599 /nfs/dbraw/zinc/24/65/99/1030246599.db2.gz CDABWEHBNIIFSW-NWDGAFQWSA-N -1 0 349.477 3.674 20 0 EHADRM O=C(CCCOc1ccc2c(c1)OCO2)Nc1cccc(Cl)c1[O-] ZINC000532015387 1030280712 /nfs/dbraw/zinc/28/07/12/1030280712.db2.gz CQOJIQDILFGLLR-UHFFFAOYSA-N -1 0 349.770 3.572 20 0 EHADRM Cc1cc(C)c(Nc2ccc(-c3ncc[nH]3)cc2)c(S(=O)(=O)[O-])c1 ZINC001213090185 1030447993 /nfs/dbraw/zinc/44/79/93/1030447993.db2.gz YJFLKMZKKPMOIF-UHFFFAOYSA-N -1 0 343.408 3.684 20 0 EHADRM Cc1ccc(Nc2ncc(Br)cc2F)cc1C(=O)[O-] ZINC001211594394 1030480641 /nfs/dbraw/zinc/48/06/41/1030480641.db2.gz WBFJBAFRAMVSQO-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM Cc1cccc(C)c1CCNS(=O)(=O)c1cc2ccccc2o1 ZINC000532212391 1030480850 /nfs/dbraw/zinc/48/08/50/1030480850.db2.gz IJFWLIISACQTSC-UHFFFAOYSA-N -1 0 329.421 3.571 20 0 EHADRM COc1cc(NC(=O)CC2(C(=O)[O-])CCCC2)ccc1C(F)(F)F ZINC000448109712 1030515841 /nfs/dbraw/zinc/51/58/41/1030515841.db2.gz PTZQAVDPNJQPNA-UHFFFAOYSA-N -1 0 345.317 3.688 20 0 EHADRM CCCC[C@@H](CC)C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000447892175 1030570278 /nfs/dbraw/zinc/57/02/78/1030570278.db2.gz GHMUHSXSSACCHV-CQSZACIVSA-N -1 0 341.398 3.985 20 0 EHADRM CC[C@@]1(C)CCCN(C(=O)N=c2nc(-c3ccsc3)[n-]s2)C1 ZINC000447989672 1030643740 /nfs/dbraw/zinc/64/37/40/1030643740.db2.gz IWIHQBKOYBGYMF-HNNXBMFYSA-N -1 0 336.486 3.733 20 0 EHADRM CN(CC1CCCCC1)C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000448003154 1030644726 /nfs/dbraw/zinc/64/47/26/1030644726.db2.gz YZAVBJNIFUAGJU-UHFFFAOYSA-N -1 0 336.486 3.733 20 0 EHADRM COc1cc(NC(=O)c2ccc([O-])c(Cl)c2)c(OC)cc1Cl ZINC000194054928 1030647134 /nfs/dbraw/zinc/64/71/34/1030647134.db2.gz BDWWROGFKMSOEH-UHFFFAOYSA-N -1 0 342.178 3.969 20 0 EHADRM CC[C@@H]1CCCN(C(=O)N=c2nc(-c3ccsc3)[n-]s2)CC1 ZINC000447997507 1030648634 /nfs/dbraw/zinc/64/86/34/1030648634.db2.gz DNRRHZMRBPONAE-LLVKDONJSA-N -1 0 336.486 3.733 20 0 EHADRM Cc1cc(NC(=O)N=c2nc(-c3ccsc3)[n-]s2)c(C)cc1O ZINC000448000597 1030650989 /nfs/dbraw/zinc/65/09/89/1030650989.db2.gz NWAQWYJJLBNOJB-UHFFFAOYSA-N -1 0 346.437 3.655 20 0 EHADRM Cc1nc2c(s1)[C@H](N(C)Cc1ccc(C(=O)[O-])cc1F)CCC2 ZINC000568061668 1030676456 /nfs/dbraw/zinc/67/64/56/1030676456.db2.gz NHFPMFZMSBJHHV-OAHLLOKOSA-N -1 0 334.416 3.798 20 0 EHADRM Cc1ccc(Nc2ccnn2Cc2cccc(F)c2)cc1C(=O)[O-] ZINC001211597042 1030682853 /nfs/dbraw/zinc/68/28/53/1030682853.db2.gz RDOYGVWLEWUSFP-UHFFFAOYSA-N -1 0 325.343 3.821 20 0 EHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000194215706 1030698323 /nfs/dbraw/zinc/69/83/23/1030698323.db2.gz LLIQVHDZMOOEGH-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1csc2ccccc12 ZINC000237981152 1030716143 /nfs/dbraw/zinc/71/61/43/1030716143.db2.gz PEZOKLRHFOAUMQ-CQDKDKBSSA-N -1 0 329.421 3.759 20 0 EHADRM CC(C)[C@H]1CCCCN1C(=O)N=c1[n-]nc(-c2ccccc2)s1 ZINC000527329580 1030782761 /nfs/dbraw/zinc/78/27/61/1030782761.db2.gz QQTFEHIRRCXEQF-CQSZACIVSA-N -1 0 330.457 3.669 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(c2ncnc3sc4ccccc4c32)C1 ZINC000583815478 1030823200 /nfs/dbraw/zinc/82/32/00/1030823200.db2.gz OCIQMPSVKWCBCI-GOSISDBHSA-N -1 0 341.436 3.782 20 0 EHADRM Cc1sc(N2CCC(Nc3cccc(C)c3)CC2)nc1C(=O)[O-] ZINC000583814642 1030824922 /nfs/dbraw/zinc/82/49/22/1030824922.db2.gz GCDFHPBSXYUQEV-UHFFFAOYSA-N -1 0 331.441 3.539 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(c2ccnc3ccncc32)CC1 ZINC000668169845 1030834550 /nfs/dbraw/zinc/83/45/50/1030834550.db2.gz FUXIQFXYUQCYNA-UHFFFAOYSA-N -1 0 333.391 3.712 20 0 EHADRM Cc1ccccc1S([O-])=CC(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000194530010 1030839592 /nfs/dbraw/zinc/83/95/92/1030839592.db2.gz RODIQVOPWDNCQG-YADARESESA-N -1 0 347.455 3.755 20 0 EHADRM O=C([O-])c1ccnc(/C=C/c2ccc(OCc3ccncc3)cc2)c1 ZINC000550973773 1030861099 /nfs/dbraw/zinc/86/10/99/1030861099.db2.gz GWVAJBIYHMECLF-DAFODLJHSA-N -1 0 332.359 3.924 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)N2CCC[C@@H](C3CC3)C2)s[n-]1 ZINC000329494343 1030945096 /nfs/dbraw/zinc/94/50/96/1030945096.db2.gz DDASYKMGRDSUCI-GFCCVEGCSA-N -1 0 348.497 3.651 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)N1CCC[C@@H]1C1CCCC1 ZINC000448356212 1030978727 /nfs/dbraw/zinc/97/87/27/1030978727.db2.gz ROPALWMIEUZIHC-GOSISDBHSA-N -1 0 336.439 3.752 20 0 EHADRM CC[C@@H](NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)c1ccc(C)cc1 ZINC000172737289 1030988496 /nfs/dbraw/zinc/98/84/96/1030988496.db2.gz NSIXWFPYQDBMKQ-GOSISDBHSA-N -1 0 349.434 3.664 20 0 EHADRM Cc1cnc(C(=O)Nc2ccc3nc(C(F)F)sc3c2)c([O-])c1 ZINC000343462108 1030990589 /nfs/dbraw/zinc/99/05/89/1030990589.db2.gz SXUMEDVARXMWIT-UHFFFAOYSA-N -1 0 335.335 3.895 20 0 EHADRM Cc1nc2ccccc2cc1C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000551087273 1031029013 /nfs/dbraw/zinc/02/90/13/1031029013.db2.gz OWUASIGBQHOJRX-UHFFFAOYSA-N -1 0 346.415 3.736 20 0 EHADRM CCc1ccccc1[N-]S(=O)(=O)c1c(C)n(C)c2ccccc21 ZINC000551116193 1031044772 /nfs/dbraw/zinc/04/47/72/1031044772.db2.gz UIFHMCKGHPJQHF-UHFFFAOYSA-N -1 0 328.437 3.850 20 0 EHADRM O=S(=O)(Cc1ccccc1Cl)[N-]c1nc(C2CC2)cs1 ZINC000278493227 1031086363 /nfs/dbraw/zinc/08/63/63/1031086363.db2.gz LTOATAMAKJKONR-UHFFFAOYSA-N -1 0 328.846 3.616 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000173622751 1031122900 /nfs/dbraw/zinc/12/29/00/1031122900.db2.gz VQOZBLLGIBYBMV-RDJZCZTQSA-N -1 0 347.418 3.596 20 0 EHADRM COCc1n[n-]c(=NCCC(c2ccccc2)c2ccccc2)s1 ZINC000477022330 1031180889 /nfs/dbraw/zinc/18/08/89/1031180889.db2.gz DTFJUSCOMKMHOM-UHFFFAOYSA-N -1 0 339.464 3.741 20 0 EHADRM CC[C@H]1CCCCN1C(=O)c1cc(Br)c(F)cc1[O-] ZINC000448553276 1031215997 /nfs/dbraw/zinc/21/59/97/1031215997.db2.gz BHJRPTUWQGKBMO-VIFPVBQESA-N -1 0 330.197 3.699 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)N(Cc3ccccc3)C(C)C)cc2=O)cc1 ZINC000174533090 1031230795 /nfs/dbraw/zinc/23/07/95/1031230795.db2.gz XIBWRXHDFHUXDV-UHFFFAOYSA-N -1 0 349.434 3.525 20 0 EHADRM Fc1ccccc1CN=c1[n-]nc(-c2cccc(OC(F)F)c2)o1 ZINC000551336488 1031242510 /nfs/dbraw/zinc/24/25/10/1031242510.db2.gz SEOAMCJVBXHJCQ-UHFFFAOYSA-N -1 0 335.285 3.511 20 0 EHADRM CC(C)=CCCNC(=O)N=c1[n-]nc(SCc2ccccc2)s1 ZINC000483618677 1031243030 /nfs/dbraw/zinc/24/30/30/1031243030.db2.gz QPGWLUOIDYHIIB-UHFFFAOYSA-N -1 0 348.497 3.730 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NCc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000551423495 1031316625 /nfs/dbraw/zinc/31/66/25/1031316625.db2.gz WXKIUTLAKZUYHD-SFHVURJKSA-N -1 0 341.407 3.863 20 0 EHADRM C[C@H](CC(=O)[O-])N(C)C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000584006096 1031396453 /nfs/dbraw/zinc/39/64/53/1031396453.db2.gz YRBQFIYFUKAOEC-WDEREUQCSA-N -1 0 331.334 3.521 20 0 EHADRM CO[C@@](C)(C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1)c1ccccc1F ZINC000668293325 1031413137 /nfs/dbraw/zinc/41/31/37/1031413137.db2.gz XYROGBIYKKGARK-CWTRNNRKSA-N -1 0 345.370 3.514 20 0 EHADRM CCS[C@@H]1CC[C@H](N(C)C(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000163450419 1031466230 /nfs/dbraw/zinc/46/62/30/1031466230.db2.gz PTEMUOWNSUXUHA-WDEREUQCSA-N -1 0 331.840 3.931 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)C3CCCC3)n2)cc1 ZINC000176629838 1031466924 /nfs/dbraw/zinc/46/69/24/1031466924.db2.gz IQBKADFOMZQOFN-UHFFFAOYSA-N -1 0 327.428 3.716 20 0 EHADRM Cc1ccc([C@@H]2CCN(C(=O)c3cccc(CC(=O)[O-])c3)C2)c(C)c1 ZINC000668321989 1031483745 /nfs/dbraw/zinc/48/37/45/1031483745.db2.gz GIAWIGOPWXESGF-GOSISDBHSA-N -1 0 337.419 3.560 20 0 EHADRM C/C=C\C[C@@H](NC(=O)c1cc(SC)c(Cl)cc1Cl)C(=O)[O-] ZINC000584032220 1031507487 /nfs/dbraw/zinc/50/74/87/1031507487.db2.gz VZTPYSJLIYEFRR-DLRQAJBASA-N -1 0 348.251 3.865 20 0 EHADRM Cc1cc(F)ccc1CCNC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000194825436 1031551179 /nfs/dbraw/zinc/55/11/79/1031551179.db2.gz BXIMQBBZKJFDKA-UHFFFAOYSA-N -1 0 325.742 3.605 20 0 EHADRM CCN=c1[n-]nc(SCc2cc(F)cc(Br)c2)s1 ZINC000484436990 1031570561 /nfs/dbraw/zinc/57/05/61/1031570561.db2.gz GJNDRXKKIUPUTA-UHFFFAOYSA-N -1 0 348.266 3.586 20 0 EHADRM O=S(=O)([N-]c1n[nH]c2cccc(F)c21)c1ccc2ccccc2c1 ZINC000484437974 1031573717 /nfs/dbraw/zinc/57/37/17/1031573717.db2.gz WPYVDSIIRZXIOQ-UHFFFAOYSA-N -1 0 341.367 3.656 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2nnc(CC(C)(C)C)o2)c1 ZINC000194869212 1031578033 /nfs/dbraw/zinc/57/80/33/1031578033.db2.gz NYQAUNPVYQBIBN-UHFFFAOYSA-N -1 0 337.445 3.582 20 0 EHADRM CC(C)c1c[nH]c(CN[C@@H](CC(=O)[O-])c2ccc(C(C)C)cc2)n1 ZINC000904002305 1031587828 /nfs/dbraw/zinc/58/78/28/1031587828.db2.gz RYBMYBPTPKZFDR-INIZCTEOSA-N -1 0 329.444 3.962 20 0 EHADRM CC(C)n1ccnc1CN[C@@]1(C(=O)[O-])CCC(C)(C)c2ccccc21 ZINC000904010474 1031628137 /nfs/dbraw/zinc/62/81/37/1031628137.db2.gz JHFHLTONBGGHCU-FQEVSTJZSA-N -1 0 341.455 3.605 20 0 EHADRM OCc1ccc(CSc2n[n-]c(=Nc3cccc(F)c3)s2)cc1 ZINC000484511918 1031659818 /nfs/dbraw/zinc/65/98/18/1031659818.db2.gz CMHZGBCWXUNBCI-UHFFFAOYSA-N -1 0 347.440 3.627 20 0 EHADRM CC(C)c1c[nH]c(CN[C@H](C(=O)[O-])c2cccc(Cl)c2Cl)n1 ZINC000904026667 1031670547 /nfs/dbraw/zinc/67/05/47/1031670547.db2.gz XVHDCJWTHWFDOP-AWEZNQCLSA-N -1 0 342.226 3.755 20 0 EHADRM CCOc1cccc(CCNC(=O)c2cc(F)c([O-])c(Cl)c2)c1 ZINC000194923970 1031706561 /nfs/dbraw/zinc/70/65/61/1031706561.db2.gz ZVCYYTFIOZMWEP-UHFFFAOYSA-N -1 0 337.778 3.556 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc(CCC(F)(F)F)c2)CCCC1 ZINC000584115488 1031746391 /nfs/dbraw/zinc/74/63/91/1031746391.db2.gz JUTDZELRQHSAIX-UHFFFAOYSA-N -1 0 329.318 3.765 20 0 EHADRM C[C@H](N=c1[n-]nc(C2CC2)o1)c1cc(F)c(Br)cc1F ZINC000528135101 1031752394 /nfs/dbraw/zinc/75/23/94/1031752394.db2.gz UPAUCVDDPUJBRP-LURJTMIESA-N -1 0 344.159 3.583 20 0 EHADRM O=C(Nc1cncc(Br)c1)c1cc(F)c([O-])c(Cl)c1 ZINC000194956121 1031796391 /nfs/dbraw/zinc/79/63/91/1031796391.db2.gz WLYWRAMQHQODMA-UHFFFAOYSA-N -1 0 345.555 3.595 20 0 EHADRM COC(=O)CCc1ccc(Nc2ccc(C)c(C(=O)[O-])c2)cc1F ZINC001211610055 1031763017 /nfs/dbraw/zinc/76/30/17/1031763017.db2.gz CJBIPHPQJGMXSG-UHFFFAOYSA-N -1 0 331.343 3.682 20 0 EHADRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccsc2)c1C1CC1 ZINC000551946514 1031785253 /nfs/dbraw/zinc/78/52/53/1031785253.db2.gz IZYNJKBSPLPLJP-SNVBAGLBSA-N -1 0 325.459 3.594 20 0 EHADRM O=C1CCC(CSc2n[n-]c(=Nc3cccc(F)c3)s2)CC1 ZINC000552005484 1031840374 /nfs/dbraw/zinc/84/03/74/1031840374.db2.gz RGJQEDAMVHJGOZ-UHFFFAOYSA-N -1 0 337.445 3.694 20 0 EHADRM COc1c(Cl)cc(N[C@H]2C[C@@H](NC(=O)[O-])C23CCC3)cc1Cl ZINC000904200058 1031847939 /nfs/dbraw/zinc/84/79/39/1031847939.db2.gz PWJRRQHQAQVTBX-NWDGAFQWSA-N -1 0 345.226 3.993 20 0 EHADRM CCCC(=O)Nc1cccc(N[C@H]2C[C@@H](NC(=O)[O-])C23CCC3)c1C ZINC000904200308 1031847988 /nfs/dbraw/zinc/84/79/88/1031847988.db2.gz XKHAMOVKQFKDJA-JKSUJKDBSA-N -1 0 345.443 3.724 20 0 EHADRM CCc1ccc(O)c(C(=O)N2CCCCc3cc(OC)ccc32)c1 ZINC000537713408 1031850328 /nfs/dbraw/zinc/85/03/28/1031850328.db2.gz NVWIMHAKOBVGSM-UHFFFAOYSA-N -1 0 325.408 3.946 20 0 EHADRM C[C@H](NC(=O)C[C@@H](C(=O)[O-])c1ccccc1)c1cccc(C2CC2)c1 ZINC000666105987 1031869358 /nfs/dbraw/zinc/86/93/58/1031869358.db2.gz XVLHJTUZSWNAKI-IFXJQAMLSA-N -1 0 337.419 4.000 20 0 EHADRM O=C([O-])[C@H](CC(=O)NCc1cc(C2CC2)ccc1F)c1ccccc1 ZINC000666105699 1031874120 /nfs/dbraw/zinc/87/41/20/1031874120.db2.gz NKZAETDOLSMLSC-QGZVFWFLSA-N -1 0 341.382 3.578 20 0 EHADRM CC[C@@H](CC(F)(F)F)C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000448945545 1031929307 /nfs/dbraw/zinc/92/93/07/1031929307.db2.gz ITEOROHMZHAUPK-ZETCQYMHSA-N -1 0 335.376 3.606 20 0 EHADRM Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-] ZINC000448989630 1031999175 /nfs/dbraw/zinc/99/91/75/1031999175.db2.gz HBANKAVOXAYDFL-NEPJUHHUSA-N -1 0 346.452 3.574 20 0 EHADRM CCc1cc(C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)sc1C ZINC000448998734 1032006810 /nfs/dbraw/zinc/00/68/10/1032006810.db2.gz XNZAGJWCSZDTRL-CVEARBPZSA-N -1 0 343.448 3.559 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NC[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000666111498 1032015452 /nfs/dbraw/zinc/01/54/52/1032015452.db2.gz ONUQJIFBAGDUOV-MANSERQUSA-N -1 0 341.451 3.744 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)NC[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000666111493 1032015878 /nfs/dbraw/zinc/01/58/78/1032015878.db2.gz ONUQJIFBAGDUOV-AKHDSKFASA-N -1 0 341.451 3.744 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000448987181 1032017297 /nfs/dbraw/zinc/01/72/97/1032017297.db2.gz APDJMERKTASKCK-JOCHJYFZSA-N -1 0 349.430 3.831 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccc(F)cc1OC(F)F ZINC000460816584 1032057059 /nfs/dbraw/zinc/05/70/59/1032057059.db2.gz QZSDAWNCGOIZTI-UHFFFAOYSA-N -1 0 337.344 3.598 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2cc(C(=O)[O-])cs2)cc1C ZINC000574626715 1033324668 /nfs/dbraw/zinc/32/46/68/1033324668.db2.gz DTHPCMNFMHHFOY-UHFFFAOYSA-N -1 0 333.409 3.861 20 0 EHADRM Cc1ccc(CC(=O)[O-])cc1-c1ccc(O[C@@H]2CCOC2)c(C)c1 ZINC000516194374 1033333274 /nfs/dbraw/zinc/33/32/74/1033333274.db2.gz FSWBHDOBSXYUJS-QGZVFWFLSA-N -1 0 326.392 3.765 20 0 EHADRM O=C(Nc1ccc(F)c(F)c1[O-])c1ncccc1NCC1CCC1 ZINC001625992637 1033426649 /nfs/dbraw/zinc/42/66/49/1033426649.db2.gz VXPIUVZIHJEAJZ-UHFFFAOYSA-N -1 0 333.338 3.530 20 0 EHADRM O=S(=O)([N-]c1c(O)cccc1F)c1c(Cl)cccc1Cl ZINC000608004468 1033433149 /nfs/dbraw/zinc/43/31/49/1033433149.db2.gz JWVXRPSXXCWWCJ-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM CC[C@H](C)CN(CC)C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000611936506 1033441462 /nfs/dbraw/zinc/44/14/62/1033441462.db2.gz ZAQWVIURVSDYOS-LBPRGKRZSA-N -1 0 335.835 3.740 20 0 EHADRM COc1ccc(Cc2noc(-c3ccc([O-])c(Cl)c3)n2)cc1OC ZINC000171844182 1033454035 /nfs/dbraw/zinc/45/40/35/1033454035.db2.gz MJKZRSGSINLGGT-UHFFFAOYSA-N -1 0 346.770 3.704 20 0 EHADRM CCc1cnc(CSc2n[n-]c(=Nc3cccc(C)c3)s2)o1 ZINC000608100998 1033494289 /nfs/dbraw/zinc/49/42/89/1033494289.db2.gz ASLZRXBSKOTLER-UHFFFAOYSA-N -1 0 332.454 3.855 20 0 EHADRM C[C@@H]1C[C@H]1c1nc(=O)c2sc(-c3ccc4c(c3)OCO4)cc2[n-]1 ZINC000608102968 1033495711 /nfs/dbraw/zinc/49/57/11/1033495711.db2.gz LTTGILPPCWQAQI-PSASIEDQSA-N -1 0 326.377 3.504 20 0 EHADRM CCCOc1ccccc1NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000326651215 1033498953 /nfs/dbraw/zinc/49/89/53/1033498953.db2.gz ZTZGPHRTBBDOKF-FQEVSTJZSA-N -1 0 341.407 3.847 20 0 EHADRM Cc1cc(C(=O)[O-])cc(-c2cc(F)ccc2OC[C@H]2CCOC2)c1 ZINC000516315937 1033504843 /nfs/dbraw/zinc/50/48/43/1033504843.db2.gz WSIMBVRETFNEQG-ZDUSSCGKSA-N -1 0 330.355 3.915 20 0 EHADRM O=C([O-])CCC[S@@](=O)c1ccc(-c2ccc3c(c2)CCCO3)cc1 ZINC000594872144 1033527774 /nfs/dbraw/zinc/52/77/74/1033527774.db2.gz YAWACRMJDANXIG-XMMPIXPASA-N -1 0 344.432 3.651 20 0 EHADRM C[C@@H](NC(=O)NC(C)(C)C(=O)[O-])c1ccccc1Oc1ccccc1 ZINC000780514098 1033530769 /nfs/dbraw/zinc/53/07/69/1033530769.db2.gz BEXKNVAOXYKUPC-CYBMUJFWSA-N -1 0 342.395 3.702 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cccnc2N2CCCC2)c1 ZINC000608258053 1033553101 /nfs/dbraw/zinc/55/31/01/1033553101.db2.gz GOEBUYPQYAHNCP-UHFFFAOYSA-N -1 0 345.468 3.606 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000046708524 1033558057 /nfs/dbraw/zinc/55/80/57/1033558057.db2.gz TYWATGXEBFMKLB-UHFFFAOYSA-N -1 0 330.192 3.687 20 0 EHADRM CCOc1cc(Nc2ccc(C(=O)[O-])cc2C)cc(C(=O)OC)c1 ZINC001211626802 1033614305 /nfs/dbraw/zinc/61/43/05/1033614305.db2.gz YABAXJFUHPHNKH-UHFFFAOYSA-N -1 0 329.352 3.622 20 0 EHADRM CC[C@H](NC(=O)N[C@@H](C)c1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000780513676 1033656515 /nfs/dbraw/zinc/65/65/15/1033656515.db2.gz LBXOBCKBRROGIS-GUYCJALGSA-N -1 0 342.395 3.702 20 0 EHADRM COc1cccc(CC2CCN(C(=O)c3c([O-])cccc3F)CC2)c1 ZINC000131810742 1033676237 /nfs/dbraw/zinc/67/62/37/1033676237.db2.gz DVGWDYVKFFWHFP-UHFFFAOYSA-N -1 0 343.398 3.635 20 0 EHADRM Cc1[nH][nH]c(=NC(=O)c2cccc(C)c2[O-])c1-c1cccc(Cl)c1 ZINC000608469819 1033724353 /nfs/dbraw/zinc/72/43/53/1033724353.db2.gz OWDWTCQSYLSCQZ-UHFFFAOYSA-N -1 0 341.798 3.727 20 0 EHADRM C[C@@H](CNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)c1ccccc1 ZINC000046810102 1033763996 /nfs/dbraw/zinc/76/39/96/1033763996.db2.gz XDJCDJXUMYRXIF-NSHDSACASA-N -1 0 339.420 3.531 20 0 EHADRM C[C@@H]1CCN(c2ccc3cc(Br)ccc3n2)C[C@@H]1C(=O)[O-] ZINC000575059323 1033771914 /nfs/dbraw/zinc/77/19/14/1033771914.db2.gz QELWNYFIGMPPBX-MFKMUULPSA-N -1 0 349.228 3.544 20 0 EHADRM O=C([O-])C1CCC(CC(=O)NCc2cccc(Cl)c2Cl)CC1 ZINC000575072594 1033775800 /nfs/dbraw/zinc/77/58/00/1033775800.db2.gz DZVWZJLQUQSSGD-UHFFFAOYSA-N -1 0 344.238 3.891 20 0 EHADRM CCCc1nc(=NC(=O)N(Cc2ccoc2)C2CCCCC2)s[n-]1 ZINC000550667395 1033838204 /nfs/dbraw/zinc/83/82/04/1033838204.db2.gz WWMOGDBAZLLCJY-UHFFFAOYSA-N -1 0 348.472 3.872 20 0 EHADRM COc1ccc(-c2n[n-]c(=NCCSc3ccccc3)s2)cc1 ZINC000550681179 1033855032 /nfs/dbraw/zinc/85/50/32/1033855032.db2.gz LCBSNOLJJAKQNN-UHFFFAOYSA-N -1 0 343.477 3.840 20 0 EHADRM C[C@H]1CN(C(=O)NCc2ccc(O)c(F)c2)CCc2ccc(F)cc21 ZINC000650900591 1033857419 /nfs/dbraw/zinc/85/74/19/1033857419.db2.gz LGGXIULFTHJTMA-LBPRGKRZSA-N -1 0 346.377 3.542 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cnn(CC3CC3)c2)cc1 ZINC000608755405 1033865253 /nfs/dbraw/zinc/86/52/53/1033865253.db2.gz FMDGAIQPWNDLBT-UHFFFAOYSA-N -1 0 347.484 3.782 20 0 EHADRM Cc1noc(C)c1[C@@H](C)NC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1 ZINC000603719974 1033879802 /nfs/dbraw/zinc/87/98/02/1033879802.db2.gz KTIUFIDZZREIAI-ZMZPIMSZSA-N -1 0 336.432 3.530 20 0 EHADRM Cc1ccc(CN(C(=O)C[C@](C)(C(=O)[O-])c2ccccc2)C2CC2)o1 ZINC000327054924 1033895053 /nfs/dbraw/zinc/89/50/53/1033895053.db2.gz YNQHFRQSAOXBMB-FQEVSTJZSA-N -1 0 341.407 3.512 20 0 EHADRM COc1ccc(C=CC(=O)[N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000046929205 1033896887 /nfs/dbraw/zinc/89/68/87/1033896887.db2.gz DGADGFHCQMWIET-DHZHZOJOSA-N -1 0 345.420 3.671 20 0 EHADRM CCC[C@@H](C)[C@H]1CCCN1C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000550711809 1033906459 /nfs/dbraw/zinc/90/64/59/1033906459.db2.gz BDECYNYJFWIANS-CZUORRHYSA-N -1 0 345.418 3.758 20 0 EHADRM CC(C)c1nccc(Sc2n[n-]c(=Nc3cccc(F)c3)s2)n1 ZINC000599441811 1033928116 /nfs/dbraw/zinc/92/81/16/1033928116.db2.gz DZUADKFTLXUQFJ-UHFFFAOYSA-N -1 0 347.444 3.907 20 0 EHADRM Cc1cc(C)c(-c2cc([N-]S(=O)(=O)c3cccs3)n[nH]2)cc1C ZINC000612038079 1033934466 /nfs/dbraw/zinc/93/44/66/1033934466.db2.gz YXTNJLQPGKFQHF-UHFFFAOYSA-N -1 0 347.465 3.864 20 0 EHADRM CCOC(=O)c1csc(=N[C@H](C)c2ccc(F)cc2Cl)[n-]1 ZINC000450341566 1034146367 /nfs/dbraw/zinc/14/63/67/1034146367.db2.gz KXXKISJQWKVZJM-MRVPVSSYSA-N -1 0 328.796 3.707 20 0 EHADRM O=C([O-])c1cnc(/C=C\c2cc(F)ccc2Br)s1 ZINC000534143602 1034161348 /nfs/dbraw/zinc/16/13/48/1034161348.db2.gz CORVJZRXJGDYIV-RJRFIUFISA-N -1 0 328.162 3.913 20 0 EHADRM O=S(=O)([N-]c1cc(-c2ccc(Cl)s2)[nH]n1)c1cccs1 ZINC000120908281 1034254600 /nfs/dbraw/zinc/25/46/00/1034254600.db2.gz OPAJOHUSQZWRGO-UHFFFAOYSA-N -1 0 345.858 3.654 20 0 EHADRM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000781050052 1034301554 /nfs/dbraw/zinc/30/15/54/1034301554.db2.gz RXOZHPWHFPLCPG-WPRPVWTQSA-N -1 0 344.358 3.920 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)c3cc(Cl)ccn3)s2)c1 ZINC000604264251 1034310108 /nfs/dbraw/zinc/31/01/08/1034310108.db2.gz XBFMJBHMEBTEJW-UHFFFAOYSA-N -1 0 344.827 3.545 20 0 EHADRM C[C@@H](C(=O)N=c1ccc(C2CC2)n[n-]1)c1c(Cl)cccc1Cl ZINC000604707962 1034461369 /nfs/dbraw/zinc/46/13/69/1034461369.db2.gz DNOVJJNEENSHSV-SECBINFHSA-N -1 0 336.222 3.825 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000604708647 1034461748 /nfs/dbraw/zinc/46/17/48/1034461748.db2.gz BJUAKBRVQDRQDH-CQSZACIVSA-N -1 0 339.439 3.614 20 0 EHADRM O=C(Nc1ccc(-c2ccccc2)cn1)c1cc(=O)c2ccccc2[n-]1 ZINC000065810232 1034464680 /nfs/dbraw/zinc/46/46/80/1034464680.db2.gz MHPBIWIEJUBNQL-UHFFFAOYSA-N -1 0 341.370 3.842 20 0 EHADRM COc1cccc([C@H]2C[C@H](NC(=O)c3ccc([O-])c(Cl)c3)C2)c1 ZINC000456503442 1034482032 /nfs/dbraw/zinc/48/20/32/1034482032.db2.gz DWYJQHRYQRMVRH-HDJSIYSDSA-N -1 0 331.799 3.730 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000450529969 1034485973 /nfs/dbraw/zinc/48/59/73/1034485973.db2.gz BHCSDOUQBLOSAC-JSGCOSHPSA-N -1 0 329.421 3.855 20 0 EHADRM COc1cccc([C@@H]2CN(C(=O)c3ccc(F)cc3[O-])CC2(C)C)c1 ZINC000529728852 1034498764 /nfs/dbraw/zinc/49/87/64/1034498764.db2.gz QGWBEDXPKZCYMW-KRWDZBQOSA-N -1 0 343.398 3.806 20 0 EHADRM CC[C@H](C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000193450464 1034505933 /nfs/dbraw/zinc/50/59/33/1034505933.db2.gz KLKYTCWJWCYLSO-ROUUACIJSA-N -1 0 325.408 3.903 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)NCCC(C)(C)c2ccccc2)s[n-]1 ZINC000604800676 1034508041 /nfs/dbraw/zinc/50/80/41/1034508041.db2.gz DROOTRGJDJXMHQ-UHFFFAOYSA-N -1 0 346.500 3.747 20 0 EHADRM Cc1cc(C)cc([C@@H](C)NC(=O)N=c2nc(C(C)(C)C)[n-]s2)c1 ZINC000604800696 1034508729 /nfs/dbraw/zinc/50/87/29/1034508729.db2.gz FYYIIIQTMUYCQF-GFCCVEGCSA-N -1 0 332.473 3.757 20 0 EHADRM O=C(N=c1nc(-c2ccsc2)[n-]s1)c1csc2c1CCCC2 ZINC000597017287 1034512235 /nfs/dbraw/zinc/51/22/35/1034512235.db2.gz BQDKRCBBUAFLPU-UHFFFAOYSA-N -1 0 347.490 3.881 20 0 EHADRM Fc1cc(F)c2c(c1)[C@H](N=c1[n-]nc(C(F)(F)F)s1)CCC2 ZINC000450551606 1034531528 /nfs/dbraw/zinc/53/15/28/1034531528.db2.gz GATMCBCYGMGFNM-SNVBAGLBSA-N -1 0 335.301 3.747 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(C)c1C ZINC000604971162 1034565563 /nfs/dbraw/zinc/56/55/63/1034565563.db2.gz QEHLITBISUZASY-UHFFFAOYSA-N -1 0 349.452 3.902 20 0 EHADRM FC1(F)CCC[C@H]1CSc1n[n-]c(=NCc2ccco2)s1 ZINC000450732290 1034739093 /nfs/dbraw/zinc/73/90/93/1034739093.db2.gz FZXJIWWOHAYRFB-VIFPVBQESA-N -1 0 331.413 3.693 20 0 EHADRM CN=c1[n-]nc(SCc2ccc([C@H](C)C(F)(F)F)cc2)s1 ZINC000450733454 1034740952 /nfs/dbraw/zinc/74/09/52/1034740952.db2.gz QDVDCIANYNZVLM-QMMMGPOBSA-N -1 0 333.404 3.960 20 0 EHADRM O=S(=O)([N-]c1cccc(Cl)c1O)c1ccc2c(c1)CCCC2 ZINC000605613535 1034802732 /nfs/dbraw/zinc/80/27/32/1034802732.db2.gz PNARGGSIMQRHFF-UHFFFAOYSA-N -1 0 337.828 3.725 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])c1cccs1 ZINC000601983020 1034847954 /nfs/dbraw/zinc/84/79/54/1034847954.db2.gz FEDNDFRXTSTQAM-WOPDTQHZSA-N -1 0 329.487 3.546 20 0 EHADRM CSCc1cccc(NC(=O)[C@](C)(CC(=O)[O-])c2ccsc2)c1 ZINC000601986978 1034849255 /nfs/dbraw/zinc/84/92/55/1034849255.db2.gz WCFFUNIUUCBYAU-QGZVFWFLSA-N -1 0 349.477 3.982 20 0 EHADRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)s1 ZINC000230348392 1034867886 /nfs/dbraw/zinc/86/78/86/1034867886.db2.gz LNRRMDQMIHRUIX-UHFFFAOYSA-N -1 0 346.405 3.735 20 0 EHADRM O=C(N=c1[n-]nc(/C=C/c2ccco2)s1)c1ccc(C(F)F)cc1 ZINC000343822370 1034893406 /nfs/dbraw/zinc/89/34/06/1034893406.db2.gz YXLJBYORUVKXCE-BQYQJAHWSA-N -1 0 347.346 3.913 20 0 EHADRM CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1cc(C)cs1 ZINC000450976955 1034976486 /nfs/dbraw/zinc/97/64/86/1034976486.db2.gz SHXAMPZDRXWJGQ-UHFFFAOYSA-N -1 0 327.475 3.552 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)C[C@H](OC)c1ccccc1 ZINC000450974340 1034998729 /nfs/dbraw/zinc/99/87/29/1034998729.db2.gz UVXBHZSIYILJDZ-SFHVURJKSA-N -1 0 349.452 3.605 20 0 EHADRM C[C@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000450985417 1035014648 /nfs/dbraw/zinc/01/46/48/1035014648.db2.gz DDFFONSHBXZNEQ-SNVBAGLBSA-N -1 0 349.387 3.540 20 0 EHADRM O=C([O-])c1cnc(CN(Cc2ccccc2Cl)C2CCCC2)cn1 ZINC000530161003 1035029219 /nfs/dbraw/zinc/02/92/19/1035029219.db2.gz HLIALTXEQBELKE-UHFFFAOYSA-N -1 0 345.830 3.773 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC=C(c2ccco2)C1 ZINC000375994294 1035082531 /nfs/dbraw/zinc/08/25/31/1035082531.db2.gz UXSIWPIODHKTCX-UHFFFAOYSA-N -1 0 326.377 3.639 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2cccnc2C(F)(F)F)cc1F ZINC000570358072 1035215298 /nfs/dbraw/zinc/21/52/98/1035215298.db2.gz RTVPGIFVPLYYHE-UHFFFAOYSA-N -1 0 348.321 3.603 20 0 EHADRM CCC(C)(C)CNC(=O)C[C@](C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000414069217 1035438790 /nfs/dbraw/zinc/43/87/90/1035438790.db2.gz BMXYFGNBOJDRLF-KRWDZBQOSA-N -1 0 325.836 3.625 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)NC[C@@H]1CCCCC1(F)F)C1CCCCC1 ZINC000414082556 1035457015 /nfs/dbraw/zinc/45/70/15/1035457015.db2.gz CHHWFIMCCXJISK-YOEHRIQHSA-N -1 0 345.430 3.989 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)ccc1F ZINC000414088211 1035473902 /nfs/dbraw/zinc/47/39/02/1035473902.db2.gz JDNALFHOMLEAQF-VLIAUNLRSA-N -1 0 343.398 3.744 20 0 EHADRM C[C@@](CC(=O)NCC1(C2CC2)CCC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000414092544 1035480628 /nfs/dbraw/zinc/48/06/28/1035480628.db2.gz LSBGMYKVUYYEFM-SFHVURJKSA-N -1 0 349.858 3.769 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1nnc(C(C)C)s1 ZINC000571583007 1035556494 /nfs/dbraw/zinc/55/64/94/1035556494.db2.gz PRHDNCGJKITFNW-CQSZACIVSA-N -1 0 333.457 3.699 20 0 EHADRM COc1cc(-c2ccc(F)c(CCC(=O)[O-])c2)cnc1C(F)(F)F ZINC000571701512 1035598928 /nfs/dbraw/zinc/59/89/28/1035598928.db2.gz NGSKGNFOESENJO-UHFFFAOYSA-N -1 0 343.276 3.932 20 0 EHADRM CC[C@@H](C)C(=O)CSc1n[n-]c(=Nc2cccc(F)c2)s1 ZINC000534792324 1035605028 /nfs/dbraw/zinc/60/50/28/1035605028.db2.gz QFWKTYAMIRUKCY-SECBINFHSA-N -1 0 325.434 3.550 20 0 EHADRM Fc1ccc(Cl)cc1CN=c1[n-]nc(CCc2ccccc2)o1 ZINC000540792933 1035685854 /nfs/dbraw/zinc/68/58/54/1035685854.db2.gz MVNSMVCANFKDAX-UHFFFAOYSA-N -1 0 331.778 3.681 20 0 EHADRM C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000186836836 1035726379 /nfs/dbraw/zinc/72/63/79/1035726379.db2.gz FIDRDIQPLSHVKU-BMIGLBTASA-N -1 0 334.778 3.803 20 0 EHADRM CCCC(=O)Nc1ccc(CN=c2[n-]c(-c3ccccc3)no2)cc1 ZINC000588160649 1035732297 /nfs/dbraw/zinc/73/22/97/1035732297.db2.gz GHQCNKFBQBVWCX-UHFFFAOYSA-N -1 0 336.395 3.509 20 0 EHADRM CC(C)=C[C@H]1[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(C(C)=O)c2)C1(C)C ZINC000045087693 1035783436 /nfs/dbraw/zinc/78/34/36/1035783436.db2.gz NSHDFLRCDJXJDA-HOTGVXAUSA-N -1 0 349.452 3.773 20 0 EHADRM CCc1ccc(C([O-])=C(C)S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000321451063 1035814538 /nfs/dbraw/zinc/81/45/38/1035814538.db2.gz NCVSZNWFWHXTMI-HNNXBMFYSA-N -1 0 330.449 3.911 20 0 EHADRM CCC[C@@H]1C[C@H](C(=O)Nc2ccc(Br)cc2O)CCO1 ZINC000540944989 1035830825 /nfs/dbraw/zinc/83/08/25/1035830825.db2.gz XJDXGUSHOFEXAW-ZYHUDNBSSA-N -1 0 342.233 3.689 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2O)cc1Cl ZINC000463786773 1035854260 /nfs/dbraw/zinc/85/42/60/1035854260.db2.gz DCVHQVCWTHVOPR-UHFFFAOYSA-N -1 0 347.820 3.707 20 0 EHADRM Cc1cc(=NC(=O)C2(Cc3cccs3)CCCCC2)[n-]nc1C ZINC000463809240 1035860663 /nfs/dbraw/zinc/86/06/63/1035860663.db2.gz LBDQRMJWZXJJBO-UHFFFAOYSA-N -1 0 329.469 3.709 20 0 EHADRM CCCOc1cncc(-c2ccc(OC)c(C(=O)CCC(=O)[O-])c2)c1 ZINC000521272479 1035884399 /nfs/dbraw/zinc/88/43/99/1035884399.db2.gz BDDUUAXVFJUMMC-UHFFFAOYSA-N -1 0 343.379 3.594 20 0 EHADRM CCC[C@H](CNC(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)[O-] ZINC000263099280 1035885666 /nfs/dbraw/zinc/88/56/66/1035885666.db2.gz FGRRPFNJVCKQKS-CYBMUJFWSA-N -1 0 347.386 3.635 20 0 EHADRM C[C@H]1CCCN(c2cc(C(=O)Nc3ccc(F)c(F)c3[O-])ccn2)C1 ZINC000457316626 1035944849 /nfs/dbraw/zinc/94/48/49/1035944849.db2.gz PZNPNIRHGAOXMO-NSHDSACASA-N -1 0 347.365 3.554 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccc(F)c(F)c1[O-] ZINC000457294946 1035951013 /nfs/dbraw/zinc/95/10/13/1035951013.db2.gz OAGYOBKIZSUHCL-UHFFFAOYSA-N -1 0 326.368 3.985 20 0 EHADRM Cc1cccc(-c2cccc(CNC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])c2)c1 ZINC000588689195 1035973004 /nfs/dbraw/zinc/97/30/04/1035973004.db2.gz ZRLRLBOVCDYELH-VQTJNVASSA-N -1 0 349.430 3.945 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)CCCC1 ZINC000572198949 1036038046 /nfs/dbraw/zinc/03/80/46/1036038046.db2.gz WSAIGTYBJHQLCD-ZWKOTPCHSA-N -1 0 337.419 3.847 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(-c2cccc(CO[C@H]3CCOC3)c2)cc1 ZINC000521645763 1036051504 /nfs/dbraw/zinc/05/15/04/1036051504.db2.gz LODOGIZGJYMBDS-LIRRHRJNSA-N -1 0 326.392 3.847 20 0 EHADRM CC(C)(C)CC(=O)C(C#N)=C([O-])c1sccc1Br ZINC000127526286 1036057462 /nfs/dbraw/zinc/05/74/62/1036057462.db2.gz NWTGGQWUBYRYIN-QMMMGPOBSA-N -1 0 328.231 3.838 20 0 EHADRM Cc1ccnc(CSc2n[n-]c(=Nc3cccc(C)c3C)s2)n1 ZINC000535163744 1036099777 /nfs/dbraw/zinc/09/97/77/1036099777.db2.gz RVOVQUYLHFOCTO-UHFFFAOYSA-N -1 0 343.481 3.711 20 0 EHADRM CCC(CC)(CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000391024461 1036187666 /nfs/dbraw/zinc/18/76/66/1036187666.db2.gz BXBYMJKZCUHEIY-NSHDSACASA-N -1 0 327.371 3.765 20 0 EHADRM Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000175015643 1036203240 /nfs/dbraw/zinc/20/32/40/1036203240.db2.gz SNOCYHRQWPAZMM-UHFFFAOYSA-N -1 0 345.342 3.845 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cc(C)c(Cl)s2)cc1OC ZINC000190185328 1036203672 /nfs/dbraw/zinc/20/36/72/1036203672.db2.gz XARITWSMBKZVRQ-UHFFFAOYSA-N -1 0 347.845 3.528 20 0 EHADRM O=C([O-])CC1(CC(=O)NCc2cccc(C(F)(F)F)c2)CCCC1 ZINC000001498900 1036222749 /nfs/dbraw/zinc/22/27/49/1036222749.db2.gz CXQAMCYALGJJDB-UHFFFAOYSA-N -1 0 343.345 3.747 20 0 EHADRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccnn2CC(C)C)c(C)c1C ZINC000589265113 1036332085 /nfs/dbraw/zinc/33/20/85/1036332085.db2.gz DHYMBSMRJRWHJK-UHFFFAOYSA-N -1 0 349.500 3.882 20 0 EHADRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccnn1[C@H](C)CC(C)C ZINC000589270899 1036334102 /nfs/dbraw/zinc/33/41/02/1036334102.db2.gz KZGLZJZCSWBVSU-CYBMUJFWSA-N -1 0 339.436 3.739 20 0 EHADRM O=C(/C=C\c1cnc2ccccc2n1)Nc1cc(Cl)c([O-])cc1F ZINC000492917161 1036389873 /nfs/dbraw/zinc/38/98/73/1036389873.db2.gz BQDBZIJFKDRUBF-WAYWQWQTSA-N -1 0 343.745 3.780 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N2C[C@H](C)CC[C@@H]2C)s1 ZINC000572573559 1036414403 /nfs/dbraw/zinc/41/44/03/1036414403.db2.gz FDDDHGFUMFUEQI-PWSUYJOCSA-N -1 0 348.447 3.727 20 0 EHADRM CCCCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccccc1C ZINC000589432780 1036426937 /nfs/dbraw/zinc/42/69/37/1036426937.db2.gz SJSPDOQFWMGJNB-UHFFFAOYSA-N -1 0 349.452 3.983 20 0 EHADRM Cc1ccc(C(C)C)cc1OCC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000013092192 1036427034 /nfs/dbraw/zinc/42/70/34/1036427034.db2.gz WOQPHEJBTGHACJ-UHFFFAOYSA-N -1 0 341.407 3.512 20 0 EHADRM Cc1nc(=NC(=O)CCCc2ccc(Cl)c(Cl)c2)s[n-]1 ZINC000464423375 1036444346 /nfs/dbraw/zinc/44/43/46/1036444346.db2.gz YXEORMCHSHWRNG-UHFFFAOYSA-N -1 0 330.240 3.537 20 0 EHADRM C[C@H](c1ccccc1)n1ccc([N-]S(=O)(=O)CCC(C)(C)C)n1 ZINC000685901481 1036449629 /nfs/dbraw/zinc/44/96/29/1036449629.db2.gz AETGOJSZZQBILT-CQSZACIVSA-N -1 0 335.473 3.670 20 0 EHADRM CC(C)c1c([N-]S(=O)(=O)c2ccccc2)cnn1-c1ccccc1 ZINC000192154517 1036480908 /nfs/dbraw/zinc/48/09/08/1036480908.db2.gz FIWNBMGQNXBHLY-UHFFFAOYSA-N -1 0 341.436 3.797 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)N[C@@H]1CCC(C)(C)c2ccccc21)C1CCC1 ZINC000572821297 1036510407 /nfs/dbraw/zinc/51/04/07/1036510407.db2.gz VBAAMXKXCPESCN-SUMWQHHRSA-N -1 0 344.455 3.836 20 0 EHADRM Cc1cc(Br)c(CN=c2[n-]nc(C(C)(C)C)o2)s1 ZINC000414301865 1036550390 /nfs/dbraw/zinc/55/03/90/1036550390.db2.gz UCKHHOGONJNCQV-UHFFFAOYSA-N -1 0 330.251 3.534 20 0 EHADRM Cc1ccccc1C[C@H]1CCCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000541733148 1036600140 /nfs/dbraw/zinc/60/01/40/1036600140.db2.gz JWLUVGNIOQRGBT-CYBMUJFWSA-N -1 0 349.352 3.965 20 0 EHADRM CC1(C)[C@H](c2ccccc2)CCN1C(=O)C1CCC(C(=O)[O-])CC1 ZINC000263184463 1036602358 /nfs/dbraw/zinc/60/23/58/1036602358.db2.gz KQAXTTPGIMOPEC-JCYILVPMSA-N -1 0 329.440 3.672 20 0 EHADRM CC[C@@H](C)CN(CC)C(=O)N=c1nc(-c2cccc(OC)c2)[n-]s1 ZINC000541757405 1036617285 /nfs/dbraw/zinc/61/72/85/1036617285.db2.gz ADGUGVDHZZTBAB-GFCCVEGCSA-N -1 0 348.472 3.536 20 0 EHADRM C[C@H]1CCC[C@H](CC(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)C1 ZINC000263255034 1036740082 /nfs/dbraw/zinc/74/00/82/1036740082.db2.gz VSXBUPLYTGTZGT-LAQRGFTBSA-N -1 0 329.440 3.530 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2SCCc3sccc32)c1 ZINC000263364089 1036820740 /nfs/dbraw/zinc/82/07/40/1036820740.db2.gz ZGBGSCVPOHVYBH-ZUZCIYMTSA-N -1 0 347.461 3.905 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)c1cc2sc3ccccc3c2s1 ZINC000263382016 1036838090 /nfs/dbraw/zinc/83/80/90/1036838090.db2.gz BLPPWYFJTUPUBK-BDAKNGLRSA-N -1 0 333.434 3.955 20 0 EHADRM C[C@@H](CC(=O)N1CCC[C@]1(C)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000263385075 1036840520 /nfs/dbraw/zinc/84/05/20/1036840520.db2.gz BWEUOYPKBRETCD-MEDUHNTESA-N -1 0 343.345 3.665 20 0 EHADRM CCCN(C(=O)c1ccc(C(=O)[O-])cc1)[C@@H]1CCCc2cccnc21 ZINC000263425043 1036891806 /nfs/dbraw/zinc/89/18/06/1036891806.db2.gz LZTPVQBONXWQKU-QGZVFWFLSA-N -1 0 338.407 3.710 20 0 EHADRM Cc1ccc(NC2CCC(C(=O)[O-])CC2)cc1OCC1CCOCC1 ZINC000263457503 1036946681 /nfs/dbraw/zinc/94/66/81/1036946681.db2.gz HVPICAYKCBOROK-UHFFFAOYSA-N -1 0 347.455 3.856 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]c1nc2c(ccc(F)c2C)s1 ZINC000464898931 1036951070 /nfs/dbraw/zinc/95/10/70/1036951070.db2.gz ZZROYTFBWGOMRU-UHFFFAOYSA-N -1 0 336.413 3.853 20 0 EHADRM CCOC(=O)c1csc(=NCc2ccc(F)cc2C(F)(F)F)[n-]1 ZINC000590573231 1036953728 /nfs/dbraw/zinc/95/37/28/1036953728.db2.gz VKDDKTJIVFLBJS-UHFFFAOYSA-N -1 0 348.321 3.512 20 0 EHADRM Clc1ccc(CN=c2[n-]nc(CCCc3cccs3)o2)cc1 ZINC000539609025 1036971376 /nfs/dbraw/zinc/97/13/76/1036971376.db2.gz AYRRTFBXLMGSFF-UHFFFAOYSA-N -1 0 333.844 3.994 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)c1 ZINC000178038637 1036990107 /nfs/dbraw/zinc/99/01/07/1036990107.db2.gz NICLNQSPGGGAHQ-UHFFFAOYSA-N -1 0 331.315 3.536 20 0 EHADRM O=C([O-])CN(C(=O)Nc1cc(Cl)ccc1Cl)C1CCCC1 ZINC000037590927 1037020673 /nfs/dbraw/zinc/02/06/73/1037020673.db2.gz GLJLGVSJEKGSDZ-UHFFFAOYSA-N -1 0 331.199 3.855 20 0 EHADRM Cc1c2ccccc2oc1CNC(=O)CCc1ccccc1C(=O)[O-] ZINC000539675368 1037053241 /nfs/dbraw/zinc/05/32/41/1037053241.db2.gz PYHOMGRSUHMEBZ-UHFFFAOYSA-N -1 0 337.375 3.688 20 0 EHADRM Fc1ccccc1Cc1n[n-]c(=NCc2cccc(Cl)c2F)o1 ZINC000539692566 1037081162 /nfs/dbraw/zinc/08/11/62/1037081162.db2.gz BJGOAHLQNJFZGE-UHFFFAOYSA-N -1 0 335.741 3.626 20 0 EHADRM CC(C)C[C@H]1CCN(C(=O)N=c2nc(-c3ccccc3)[n-]s2)C1 ZINC000465066427 1037103192 /nfs/dbraw/zinc/10/31/92/1037103192.db2.gz QXKFMVCEUWDLEW-CYBMUJFWSA-N -1 0 330.457 3.527 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(Cc2ccc(Br)c(F)c2)C1 ZINC000161959287 1037106188 /nfs/dbraw/zinc/10/61/88/1037106188.db2.gz BYHNOYLZMCJJLU-NSHDSACASA-N -1 0 344.224 3.665 20 0 EHADRM Cc1ccc2c(C(=O)N3CC[C@](C(=O)[O-])(C(C)C)C3)csc2c1 ZINC000263557109 1037128573 /nfs/dbraw/zinc/12/85/73/1037128573.db2.gz ZJVABXSHTWQEPS-GOSISDBHSA-N -1 0 331.437 3.783 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)CCC2)c1cc(F)ccc1Cl ZINC000303185952 1037190584 /nfs/dbraw/zinc/19/05/84/1037190584.db2.gz LEAKFABQLKRIJB-UHFFFAOYSA-N -1 0 325.792 3.769 20 0 EHADRM O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1OC(F)F ZINC000057826366 1037197604 /nfs/dbraw/zinc/19/76/04/1037197604.db2.gz NPZBAUABSYQJPX-FNORWQNLSA-N -1 0 335.262 3.798 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000324027022 1037253149 /nfs/dbraw/zinc/25/31/49/1037253149.db2.gz NTVJIAQGFINFCK-UHFFFAOYSA-N -1 0 327.311 3.760 20 0 EHADRM CCc1cccc(C(=O)Nc2cccc(Cl)c2OCCOC)c1O ZINC000539841471 1037268023 /nfs/dbraw/zinc/26/80/23/1037268023.db2.gz OPKMXSFBUFPRQO-UHFFFAOYSA-N -1 0 349.814 3.886 20 0 EHADRM CC[C@H](C(=O)N1CCc2cc(C(=O)[O-])ccc21)c1ccc(F)cc1 ZINC000761418725 1037295690 /nfs/dbraw/zinc/29/56/90/1037295690.db2.gz HOFPALVJTIFRCM-INIZCTEOSA-N -1 0 327.355 3.607 20 0 EHADRM O=C([O-])CC1CCN(C(=O)c2cc3cc(Cl)ccc3s2)CC1 ZINC000659120375 1037310700 /nfs/dbraw/zinc/31/07/00/1037310700.db2.gz LYXYFDWASCOFSH-UHFFFAOYSA-N -1 0 337.828 3.882 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)C2CC3(C2)CCCCC3)c1OC ZINC000659127020 1037313174 /nfs/dbraw/zinc/31/31/74/1037313174.db2.gz JPWZMGFIZLVKQW-UHFFFAOYSA-N -1 0 347.411 3.701 20 0 EHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)c2cc(C(=O)[O-])oc2C)o1 ZINC000659121910 1037313730 /nfs/dbraw/zinc/31/37/30/1037313730.db2.gz IEWYMQXHSJJOBS-AWEZNQCLSA-N -1 0 331.368 3.945 20 0 EHADRM Cc1ccc(OCCCCNC(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000177076728 1037354524 /nfs/dbraw/zinc/35/45/24/1037354524.db2.gz LLQYBODKWXWFLE-UHFFFAOYSA-N -1 0 335.350 3.568 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCC(Cc2cccc(F)c2)CC1 ZINC000177080683 1037358245 /nfs/dbraw/zinc/35/82/45/1037358245.db2.gz PAJYJJINPIYVBE-UHFFFAOYSA-N -1 0 349.352 3.904 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000659141531 1037360946 /nfs/dbraw/zinc/36/09/46/1037360946.db2.gz IPGLZUVEWBOVSA-ACJLOTCBSA-N -1 0 345.826 3.841 20 0 EHADRM Cc1ccccc1OCCCN(C)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000177089976 1037364662 /nfs/dbraw/zinc/36/46/62/1037364662.db2.gz XKCYYBJOHLRYCE-UHFFFAOYSA-N -1 0 335.350 3.520 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1cc2cc(Cl)ccc2s1 ZINC000659151960 1037374366 /nfs/dbraw/zinc/37/43/66/1037374366.db2.gz NBUSREIFOXCKFJ-UAKXVISKSA-N -1 0 349.839 3.880 20 0 EHADRM COC1(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)CCC(F)(F)CC1 ZINC000659145559 1037378768 /nfs/dbraw/zinc/37/87/68/1037378768.db2.gz BIDZSIBKSJCEAZ-UHFFFAOYSA-N -1 0 341.354 3.535 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)C=Cc2nc3ccccc3s2)c1 ZINC000493508221 1037435638 /nfs/dbraw/zinc/43/56/38/1037435638.db2.gz COKHLEPBMBMGFL-HJWRWDBZSA-N -1 0 338.388 3.856 20 0 EHADRM O=C(C=Cc1ccc(Cl)cc1)[N-]S(=O)(=O)C1CCCCC1 ZINC000058071758 1037449661 /nfs/dbraw/zinc/44/96/61/1037449661.db2.gz HEEKUJGBDKLDKW-DHZHZOJOSA-N -1 0 327.833 3.972 20 0 EHADRM CCc1ccc(CCC(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)cc1 ZINC000659194383 1037464992 /nfs/dbraw/zinc/46/49/92/1037464992.db2.gz MDIRLIBAELCUHN-QYZOEREBSA-N -1 0 343.467 3.674 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000573386238 1037501817 /nfs/dbraw/zinc/50/18/17/1037501817.db2.gz XAADEXBTJDZJON-NSHDSACASA-N -1 0 343.345 3.697 20 0 EHADRM Cc1cc(C(=O)N[C@@](C)(CCF)C(=O)[O-])sc1-c1ccccc1 ZINC000659216548 1037507480 /nfs/dbraw/zinc/50/74/80/1037507480.db2.gz ZKTGBEMNSDQINW-KRWDZBQOSA-N -1 0 335.400 3.656 20 0 EHADRM Cc1ccccc1C(F)(F)CNC(=O)CCc1ccccc1C(=O)[O-] ZINC000659229691 1037538877 /nfs/dbraw/zinc/53/88/77/1037538877.db2.gz YUIGCPREJIRVEN-UHFFFAOYSA-N -1 0 347.361 3.534 20 0 EHADRM COc1cccc(S(=O)(=O)[N-]C(=O)C=C(C)c2ccc(F)cc2)c1 ZINC000058187896 1037569724 /nfs/dbraw/zinc/56/97/24/1037569724.db2.gz FPAYPTOYSCMICL-BENRWUELSA-N -1 0 349.383 3.583 20 0 EHADRM CC(C)=CCC[C@@H](C)CC(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000648267157 1037573836 /nfs/dbraw/zinc/57/38/36/1037573836.db2.gz BYLPKYVGOTUSFR-CYBMUJFWSA-N -1 0 329.400 3.741 20 0 EHADRM CCO[C@@H]1C[C@H](N=c2[n-]nc(-c3ccccc3)s2)C12CCCC2 ZINC000463026035 1037655459 /nfs/dbraw/zinc/65/54/59/1037655459.db2.gz UVLMDAUGJCZBNZ-LSDHHAIUSA-N -1 0 329.469 3.777 20 0 EHADRM CCCCN1CCc2ccc([N-]S(=O)(=O)c3ccc(C)o3)cc21 ZINC000540212325 1037695870 /nfs/dbraw/zinc/69/58/70/1037695870.db2.gz YDBZYHMUAHBICF-UHFFFAOYSA-N -1 0 334.441 3.551 20 0 EHADRM CCCOc1ccc([N-]S(=O)(=O)c2ccc(C)o2)cc1Cl ZINC000540212269 1037696315 /nfs/dbraw/zinc/69/63/15/1037696315.db2.gz VCHUNLBPDKCYGO-UHFFFAOYSA-N -1 0 329.805 3.831 20 0 EHADRM O=C([O-])CC1(NC(=O)c2ccc(-n3cccc3)c(F)c2)CCCCC1 ZINC000532593967 1037765543 /nfs/dbraw/zinc/76/55/43/1037765543.db2.gz AGARPRHIJHQIHL-UHFFFAOYSA-N -1 0 344.386 3.524 20 0 EHADRM CCc1sc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(OC)c2)cc1C ZINC000532600173 1037813459 /nfs/dbraw/zinc/81/34/59/1037813459.db2.gz SUNWVNXPYCLSPU-AWEZNQCLSA-N -1 0 347.436 3.573 20 0 EHADRM COc1c(C)cc(CN=c2[n-]nc(-c3ccc(C)s3)o2)cc1C ZINC000463250952 1037950155 /nfs/dbraw/zinc/95/01/55/1037950155.db2.gz ADBQQMGKRAYVPL-UHFFFAOYSA-N -1 0 329.425 3.766 20 0 EHADRM O=S(=O)([N-]c1ccc(OC(F)F)c(Cl)c1)c1ccsc1 ZINC000506552684 1037964848 /nfs/dbraw/zinc/96/48/48/1037964848.db2.gz MRLFCEIGYFACHE-UHFFFAOYSA-N -1 0 339.772 3.804 20 0 EHADRM CCC[C@@H](C)NC(=O)N=c1[n-]nc([C@H](CC)c2ccccc2)s1 ZINC000592472371 1037977662 /nfs/dbraw/zinc/97/76/62/1037977662.db2.gz KJELPYDBWJNYIT-TZMCWYRMSA-N -1 0 332.473 3.812 20 0 EHADRM Cc1oc(CN(C)C(=O)/C=C\c2ccc([C@@H]3C[C@H]3C)o2)cc1C(=O)[O-] ZINC000492144303 1038032461 /nfs/dbraw/zinc/03/24/61/1038032461.db2.gz ZZDSCELKYLKPCI-DNAPDJRDSA-N -1 0 343.379 3.674 20 0 EHADRM Cc1ccc(/C=C\C(=O)Nc2cccc(CSCC(=O)[O-])c2)o1 ZINC000492156433 1038058215 /nfs/dbraw/zinc/05/82/15/1038058215.db2.gz PMQJYXAQTFJUCB-FPLPWBNLSA-N -1 0 331.393 3.558 20 0 EHADRM CCC[C@H](C(=O)Nc1ncc(C(=O)OCC)[n-]1)c1cccc(Cl)c1 ZINC001272341086 1038123216 /nfs/dbraw/zinc/12/32/16/1038123216.db2.gz BFGDNIZQQFGSKP-ZDUSSCGKSA-N -1 0 349.818 3.762 20 0 EHADRM C[C@@H](C(=O)N[C@H](CC(=O)[O-])C1CCCCC1)c1cccc(Cl)c1 ZINC000538504762 1038347498 /nfs/dbraw/zinc/34/74/98/1038347498.db2.gz OOHCFQVWMDBOOV-MLGOLLRUSA-N -1 0 337.847 3.983 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N[C@H]2c3ccccc3CC[C@@H]2C)s1 ZINC000538702487 1038477441 /nfs/dbraw/zinc/47/74/41/1038477441.db2.gz PVZHTEIVPNIOSS-GXFFZTMASA-N -1 0 348.497 3.517 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC000653314865 1038495548 /nfs/dbraw/zinc/49/55/48/1038495548.db2.gz JDSWQHUDKUTBIB-BDJLRTHQSA-N -1 0 337.375 3.972 20 0 EHADRM CCc1cccc(CC)c1[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C ZINC000416415121 1038646876 /nfs/dbraw/zinc/64/68/76/1038646876.db2.gz HEYGLMCUXBRQRB-CYBMUJFWSA-N -1 0 347.484 3.706 20 0 EHADRM C[C@@H](O)[C@H](N=c1nc(C2CCCCC2)[n-]s1)c1ccccc1F ZINC000651383656 1038667702 /nfs/dbraw/zinc/66/77/02/1038667702.db2.gz HQKVFPZYDYHKHW-ABAIWWIYSA-N -1 0 335.448 3.681 20 0 EHADRM Brc1ccc(CN=c2[n-]nc(C3CCCCC3)o2)s1 ZINC000553999767 1038776319 /nfs/dbraw/zinc/77/63/19/1038776319.db2.gz ICIJEKCXYNUZDS-UHFFFAOYSA-N -1 0 342.262 3.975 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCCCc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000910248815 1038787142 /nfs/dbraw/zinc/78/71/42/1038787142.db2.gz SELHJWZSMZQAOJ-RCCFBDPRSA-N -1 0 329.440 3.501 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCCN2C(=O)c1ccoc1CC(=O)[O-] ZINC000910250411 1038789936 /nfs/dbraw/zinc/78/99/36/1038789936.db2.gz IZJAFJNXKCESDJ-UHFFFAOYSA-N -1 0 341.407 3.797 20 0 EHADRM CC[C@H](c1n[n-]c(=NCc2ccc(COC)o2)s1)c1ccccc1 ZINC000554013318 1038802702 /nfs/dbraw/zinc/80/27/02/1038802702.db2.gz LDUGKYDRHSCGSB-INIZCTEOSA-N -1 0 343.452 3.853 20 0 EHADRM CC(C)(C)OC1CCC(NC(=O)c2ccccc2CCC(=O)[O-])CC1 ZINC000910287361 1038811594 /nfs/dbraw/zinc/81/15/94/1038811594.db2.gz GFKPQBJDAAAZEZ-UHFFFAOYSA-N -1 0 347.455 3.560 20 0 EHADRM Cc1cc(C(F)(F)F)cnc1N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000910309964 1038819724 /nfs/dbraw/zinc/81/97/24/1038819724.db2.gz XUPBYLKAGLUZGW-AWEZNQCLSA-N -1 0 336.313 3.597 20 0 EHADRM CC(C)(CC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1)Cc1ccc(Cl)cc1 ZINC000910347960 1038843945 /nfs/dbraw/zinc/84/39/45/1038843945.db2.gz RPYUEJMFEHACPR-ZBQZNYHESA-N -1 0 349.858 3.668 20 0 EHADRM CCC(F)(F)CN(C)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000905377683 1038853016 /nfs/dbraw/zinc/85/30/16/1038853016.db2.gz YEKFLCYRTTZHFH-LLVKDONJSA-N -1 0 336.176 3.552 20 0 EHADRM Cc1nc(N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)ccc1C(=O)[O-] ZINC000910374573 1038871676 /nfs/dbraw/zinc/87/16/76/1038871676.db2.gz HCSPEUSGLIZKPB-NVXWUHKLSA-N -1 0 344.386 3.584 20 0 EHADRM CC[C@@H](C)CCC(=O)N1CCC(c2nc(C)c(C(=O)[O-])s2)CC1 ZINC000910356280 1038881525 /nfs/dbraw/zinc/88/15/25/1038881525.db2.gz FHSAJNDBDXTRMC-LLVKDONJSA-N -1 0 338.473 3.682 20 0 EHADRM [O-]c1cnc(Cl)cc1-c1nc(-c2cncc(C(F)(F)F)c2)no1 ZINC001213942180 1038910757 /nfs/dbraw/zinc/91/07/57/1038910757.db2.gz KJMXPMLXMYYDQM-UHFFFAOYSA-N -1 0 342.664 3.571 20 0 EHADRM O=C([O-])C1CC2(C1)C[C@@H](Nc1ncc(-c3ccccc3)s1)CCO2 ZINC000910488821 1038938289 /nfs/dbraw/zinc/93/82/89/1038938289.db2.gz VIZRKDPNQAGUAP-FVRSWCFKSA-N -1 0 344.436 3.634 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3C[C@@H]4CC[C@H]3c3ccccc34)(CC1)CC2 ZINC000910519791 1038942136 /nfs/dbraw/zinc/94/21/36/1038942136.db2.gz MBSPFYDASOGKIW-DSWSUKSJSA-N -1 0 339.435 3.873 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000910519909 1038943167 /nfs/dbraw/zinc/94/31/67/1038943167.db2.gz OKYXUNDYSDQTDU-KXBFYZLASA-N -1 0 335.403 3.778 20 0 EHADRM COc1ccc2oc(C(=O)N[C@H](CC(=O)[O-])C3CCCC3)c(C)c2c1 ZINC000910572797 1038967198 /nfs/dbraw/zinc/96/71/98/1038967198.db2.gz VVLLWXWKTKGNIX-OAHLLOKOSA-N -1 0 345.395 3.513 20 0 EHADRM CCc1c(NC(=O)c2ccc(/C=C/C(=O)[O-])o2)cnn1C(CC)CC ZINC000910655909 1039004835 /nfs/dbraw/zinc/00/48/35/1039004835.db2.gz HMJAQWGBWTYPKD-CSKARUKUSA-N -1 0 345.399 3.750 20 0 EHADRM CCc1c(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cnn1C(CC)CC ZINC000910657408 1039004889 /nfs/dbraw/zinc/00/48/89/1039004889.db2.gz YBDKTGFQNUXQKV-STQMWFEESA-N -1 0 335.448 3.636 20 0 EHADRM CCc1c(NC(=O)Cc2cccc(C(=O)[O-])c2)cnn1C(CC)CC ZINC000910656618 1039006439 /nfs/dbraw/zinc/00/64/39/1039006439.db2.gz MQADZJYWMNGTDI-UHFFFAOYSA-N -1 0 343.427 3.686 20 0 EHADRM O=C([O-])Cc1cnc(NC(=O)CCCc2ccc(C3CC3)cc2)s1 ZINC000910669772 1039011180 /nfs/dbraw/zinc/01/11/80/1039011180.db2.gz IOTFWLMSSBQSPL-UHFFFAOYSA-N -1 0 344.436 3.609 20 0 EHADRM COCCOc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)CC1CCCC1 ZINC000910697822 1039025756 /nfs/dbraw/zinc/02/57/56/1039025756.db2.gz UUMPSDWTRGAICS-CYBMUJFWSA-N -1 0 349.427 3.565 20 0 EHADRM O=C([O-])c1nc(NC(=O)[C@@H]2CCc3cc(F)ccc32)sc1C1CC1 ZINC000910741691 1039051338 /nfs/dbraw/zinc/05/13/38/1039051338.db2.gz JSZFUYODBFIATN-GFCCVEGCSA-N -1 0 346.383 3.526 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)[C@H]2C[C@H]2C2CCCC2)nc1C(=O)[O-] ZINC000910716651 1039055753 /nfs/dbraw/zinc/05/57/53/1039055753.db2.gz AIZSLYYUEHZDPJ-IHRRRGAJSA-N -1 0 348.468 3.640 20 0 EHADRM CCC[C@H](C)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000237003906 1039066125 /nfs/dbraw/zinc/06/61/25/1039066125.db2.gz TWUARUWYVZMBMA-HZMBPMFUSA-N -1 0 329.799 3.937 20 0 EHADRM O=C([O-])c1nc(NC(=O)c2cccc(C3CC3)c2)sc1C1CC1 ZINC000910743423 1039072673 /nfs/dbraw/zinc/07/26/73/1039072673.db2.gz YWONYFIIGUAYBG-UHFFFAOYSA-N -1 0 328.393 3.848 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cnn([C@@H](C)C3CC3)c2)cc1CC ZINC000488327518 1039088072 /nfs/dbraw/zinc/08/80/72/1039088072.db2.gz DMURSPJSJCURDO-ZDUSSCGKSA-N -1 0 347.484 3.780 20 0 EHADRM O=C([O-])c1cc2cccnc2c(N[C@@H]2CCOC3(CCCC3)C2)c1 ZINC000905758597 1039091745 /nfs/dbraw/zinc/09/17/45/1039091745.db2.gz FZVSOUUGHLBDAP-OAHLLOKOSA-N -1 0 326.396 3.837 20 0 EHADRM O=C([O-])c1cc2cccnc2c(NCc2ccnn2CC2CCC2)c1 ZINC000905762609 1039092368 /nfs/dbraw/zinc/09/23/68/1039092368.db2.gz VVRGKVWXQMIEHS-UHFFFAOYSA-N -1 0 336.395 3.542 20 0 EHADRM O=C([O-])CC1CC(NC(=O)c2cc(-c3ccccc3)ccc2Cl)C1 ZINC000910809159 1039104405 /nfs/dbraw/zinc/10/44/05/1039104405.db2.gz BDNDMQSEPOFRTD-UHFFFAOYSA-N -1 0 343.810 3.990 20 0 EHADRM CCn1c(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc2ccccc21 ZINC000237197310 1039111434 /nfs/dbraw/zinc/11/14/34/1039111434.db2.gz ZRNHYYFOOMMBSS-OAHLLOKOSA-N -1 0 328.412 3.521 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CCC[C@H]1[C@@H](C)c1ccccc1 ZINC000910935750 1039143793 /nfs/dbraw/zinc/14/37/93/1039143793.db2.gz MKQAJCUVYHLFOJ-ZFWWWQNUSA-N -1 0 327.380 3.695 20 0 EHADRM C[C@H]1CC(C)(C)c2cccc(NC(=O)CC3(C(=O)[O-])CCOCC3)c21 ZINC000910955670 1039157116 /nfs/dbraw/zinc/15/71/16/1039157116.db2.gz SHCXXUYAKODMTD-ZDUSSCGKSA-N -1 0 345.439 3.681 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)C[C@@H]1OCCc2ccccc21 ZINC000910959697 1039159982 /nfs/dbraw/zinc/15/99/82/1039159982.db2.gz FZISEIRGTPLQOW-SFHVURJKSA-N -1 0 339.391 3.590 20 0 EHADRM CSc1ccc(NC(=O)Cc2sc(C)cc2C)cc1C(=O)[O-] ZINC000910944473 1039167409 /nfs/dbraw/zinc/16/74/09/1039167409.db2.gz MTCCYVYHYXMWIK-UHFFFAOYSA-N -1 0 335.450 3.966 20 0 EHADRM O=S(=O)(CCCF)[N-][C@H](c1cccc2ccccc21)C(F)(F)F ZINC000512448553 1039182557 /nfs/dbraw/zinc/18/25/57/1039182557.db2.gz UUUFUTBOSUAZMJ-CQSZACIVSA-N -1 0 349.349 3.722 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)CC2)CC1 ZINC000911017304 1039186849 /nfs/dbraw/zinc/18/68/49/1039186849.db2.gz GDUIPMBPIUNXMX-JOCQHMNTSA-N -1 0 349.393 3.705 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)CC1 ZINC000911020732 1039187756 /nfs/dbraw/zinc/18/77/56/1039187756.db2.gz UPGXFOHNMFPUAK-UHFFFAOYSA-N -1 0 349.736 3.518 20 0 EHADRM O=C([O-])C1(C(F)(F)F)CCN(C(=O)CCC2CCCCC2)CC1 ZINC000911011962 1039199110 /nfs/dbraw/zinc/19/91/10/1039199110.db2.gz LJMOLSJHLKOSDX-UHFFFAOYSA-N -1 0 335.366 3.603 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1nccc(-c2ccccc2)n1 ZINC000488464365 1039206604 /nfs/dbraw/zinc/20/66/04/1039206604.db2.gz TTXXFDLKQURLRS-UHFFFAOYSA-N -1 0 339.420 3.507 20 0 EHADRM COc1ccc([C@H](NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)C2CCC2)cc1 ZINC000911063037 1039219917 /nfs/dbraw/zinc/21/99/17/1039219917.db2.gz SEPKYHKBHIFQTI-JFIYKMOQSA-N -1 0 345.439 3.544 20 0 EHADRM C/C(=C/C(=O)N(CCC(=O)[O-])C1CC1)c1ccccc1C(F)(F)F ZINC000236618532 1039227774 /nfs/dbraw/zinc/22/77/74/1039227774.db2.gz SUCSPEZKTCGSCZ-KHPPLWFESA-N -1 0 341.329 3.574 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)Cc1c[nH]c2ccc(F)cc12)C(=O)[O-] ZINC000236690672 1039239198 /nfs/dbraw/zinc/23/91/98/1039239198.db2.gz XBIYFJGFVTYNFB-LJQANCHMSA-N -1 0 348.418 3.779 20 0 EHADRM CCNc1ccc(C(=O)[O-])cc1NC(=O)C[C@@H]1CCO[C@H](C(C)C)C1 ZINC000911085351 1039242039 /nfs/dbraw/zinc/24/20/39/1039242039.db2.gz STZUHPJUISPCJI-DYVFJYSZSA-N -1 0 348.443 3.596 20 0 EHADRM C[C@@](CC(=O)N(Cc1cccs1)C1CC1)(C(=O)[O-])c1ccccc1 ZINC000324207269 1039271069 /nfs/dbraw/zinc/27/10/69/1039271069.db2.gz OLYNXDANNWEPJO-IBGZPJMESA-N -1 0 343.448 3.672 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2SC)c(F)c1 ZINC000480196710 1039280480 /nfs/dbraw/zinc/28/04/80/1039280480.db2.gz OAROQKVIALVCOW-UHFFFAOYSA-N -1 0 341.429 3.665 20 0 EHADRM CCN(C(=O)CCc1ccccc1C(=O)[O-])c1cccc(C)c1C ZINC000911220878 1039288739 /nfs/dbraw/zinc/28/87/39/1039288739.db2.gz KMCMFFHVGRBTQK-UHFFFAOYSA-N -1 0 325.408 3.987 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)c1cccc(F)c1Cl ZINC000318848573 1039293370 /nfs/dbraw/zinc/29/33/70/1039293370.db2.gz GASSAPSOGWDJBI-CYBMUJFWSA-N -1 0 327.783 3.633 20 0 EHADRM COc1ccc2c(c1[N-]S(=O)(=O)c1cc(C)c(C)s1)CCC2 ZINC000480198896 1039300534 /nfs/dbraw/zinc/30/05/34/1039300534.db2.gz PIWSGDPDSDRNHV-UHFFFAOYSA-N -1 0 337.466 3.663 20 0 EHADRM CC1CCN(c2ccc(NC(=O)C(C)(C)CCC(=O)[O-])cc2)CC1 ZINC000911229258 1039302409 /nfs/dbraw/zinc/30/24/09/1039302409.db2.gz NYKMEJFYDAXTFG-UHFFFAOYSA-N -1 0 332.444 3.752 20 0 EHADRM Cc1cc(Nc2cc(F)c(F)c(C(=O)[O-])c2)cnc1Br ZINC001215457359 1039313720 /nfs/dbraw/zinc/31/37/20/1039313720.db2.gz BIPMEEWHCYFQJN-UHFFFAOYSA-N -1 0 343.127 3.873 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)N(C(=O)N=c2[n-]nc(C(C)(C)C)s2)C1 ZINC000554421857 1039329152 /nfs/dbraw/zinc/32/91/52/1039329152.db2.gz LFQIVBYYQXIVAN-TZMCWYRMSA-N -1 0 344.484 3.873 20 0 EHADRM O=C([O-])CSCCC(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000911343711 1039338687 /nfs/dbraw/zinc/33/86/87/1039338687.db2.gz FQSFOHSGVMUGJW-UHFFFAOYSA-N -1 0 341.738 3.505 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2C)oc1C(=O)[O-] ZINC000911397813 1039351214 /nfs/dbraw/zinc/35/12/14/1039351214.db2.gz DTTXOFQJYMQWGU-CQSZACIVSA-N -1 0 331.343 3.711 20 0 EHADRM CC(C)(NC(=O)CCc1ccccc1C(=O)[O-])c1ccccc1F ZINC000911467526 1039374074 /nfs/dbraw/zinc/37/40/74/1039374074.db2.gz RUXJGVGOPPUMHI-UHFFFAOYSA-N -1 0 329.371 3.508 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c(Cl)c1 ZINC000911475013 1039376883 /nfs/dbraw/zinc/37/68/83/1039376883.db2.gz ZKHJHVOAJUEBFK-NWDGAFQWSA-N -1 0 339.819 3.957 20 0 EHADRM CC(C)(Cc1ccc(-c2ccc([C@@H]3CCC(=O)N3)cc2)cc1)C(=O)[O-] ZINC000906206564 1039382563 /nfs/dbraw/zinc/38/25/63/1039382563.db2.gz QTPMTLRSMQESAB-SFHVURJKSA-N -1 0 337.419 3.958 20 0 EHADRM C/C(=C/C1CCC(C)CC1)C(=O)N(CCC(=O)[O-])Cc1ccncc1 ZINC000911524567 1039404886 /nfs/dbraw/zinc/40/48/86/1039404886.db2.gz HJDVGEQVHABMDP-SSZFMOIBSA-N -1 0 344.455 3.658 20 0 EHADRM COc1cc(OC(F)F)ccc1-c1cc(C)sc1CC(=O)[O-] ZINC000906246240 1039405899 /nfs/dbraw/zinc/40/58/99/1039405899.db2.gz PNEDKSSCEXITNT-UHFFFAOYSA-N -1 0 328.336 3.961 20 0 EHADRM Cc1ccsc1[C@H]1C[C@@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccccc1C ZINC000237658814 1039406248 /nfs/dbraw/zinc/40/62/48/1039406248.db2.gz HMIRIPHUZHWFDM-JYJNAYRXSA-N -1 0 343.448 3.801 20 0 EHADRM O=C(N[C@@H](c1ccccc1)C1CCOCC1)c1cc(F)c([O-])c(F)c1 ZINC000364016419 1039406943 /nfs/dbraw/zinc/40/69/43/1039406943.db2.gz SNHLVVMAANOPMR-KRWDZBQOSA-N -1 0 347.361 3.568 20 0 EHADRM Cc1onc(-c2ccccc2)c1C(=O)NCCCCCCCC(=O)[O-] ZINC000237685692 1039409825 /nfs/dbraw/zinc/40/98/25/1039409825.db2.gz HXEMNHUGZYHTRR-UHFFFAOYSA-N -1 0 344.411 3.805 20 0 EHADRM CC(C)n1ncc2c1nc(/C=C/c1cccc3nccn31)cc2C(=O)[O-] ZINC000554518226 1039427621 /nfs/dbraw/zinc/42/76/21/1039427621.db2.gz URYLLWFPZWCOKR-VOTSOKGWSA-N -1 0 347.378 3.529 20 0 EHADRM CO[C@@H](C(=O)[O-])c1ccc(-c2ccccc2OC[C@H]2CCOC2)s1 ZINC000906241937 1039428296 /nfs/dbraw/zinc/42/82/96/1039428296.db2.gz XXVGORSQAAIDIK-YVEFUNNKSA-N -1 0 348.420 3.603 20 0 EHADRM CC(C)(CCC(=O)[O-])C(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000911664483 1039444730 /nfs/dbraw/zinc/44/47/30/1039444730.db2.gz LONWXIRHTQXOLO-INIZCTEOSA-N -1 0 333.403 3.769 20 0 EHADRM C[C@@H]1C[C@H](CC(=O)N[C@@H](CC(=O)[O-])c2ccncc2)CC(C)(C)C1 ZINC000911658412 1039452562 /nfs/dbraw/zinc/45/25/62/1039452562.db2.gz LAQGNEQBVPZVEP-FMKPAKJESA-N -1 0 332.444 3.566 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000911717124 1039470264 /nfs/dbraw/zinc/47/02/64/1039470264.db2.gz DZRUCMCGMGEMFV-QCEMKRCNSA-N -1 0 335.831 3.593 20 0 EHADRM Cc1nn(C(C)C)cc1C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC000911734808 1039475617 /nfs/dbraw/zinc/47/56/17/1039475617.db2.gz YKZCKHSFQHZFCM-UHFFFAOYSA-N -1 0 345.399 3.510 20 0 EHADRM CC(C)C[C@H](NC(=O)N[C@H](C)c1cc2ccccc2s1)C(=O)[O-] ZINC000554602983 1039513421 /nfs/dbraw/zinc/51/34/21/1039513421.db2.gz CYLQGJKGEINQQD-YPMHNXCESA-N -1 0 334.441 3.761 20 0 EHADRM c1cc(OCC2CC2)ccc1CN=c1[n-]nc(CC2CCCC2)o1 ZINC000478567920 1039530112 /nfs/dbraw/zinc/53/01/12/1039530112.db2.gz IJOYLEAEERPTRP-UHFFFAOYSA-N -1 0 327.428 3.625 20 0 EHADRM COCc1n[n-]c(=N[C@@H]2C[C@@H]3CCC(C)(C)c4cccc2c43)s1 ZINC000345078108 1039626077 /nfs/dbraw/zinc/62/60/77/1039626077.db2.gz IUVJJGZCGTVDNY-SMDDNHRTSA-N -1 0 329.469 3.818 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)c(C)cc1C ZINC000478693173 1039627700 /nfs/dbraw/zinc/62/77/00/1039627700.db2.gz CZDMDNFNPHFUIS-UHFFFAOYSA-N -1 0 341.379 3.699 20 0 EHADRM CC[C@H](CN(CC)C(=O)N=c1cc(C)c(C)n[n-]1)c1ccccc1 ZINC000480567517 1039707383 /nfs/dbraw/zinc/70/73/83/1039707383.db2.gz LUQGZERDRKLMHV-MRXNPFEDSA-N -1 0 326.444 3.563 20 0 EHADRM COCCCC[C@H](N=c1[n-]nc(C(F)(F)F)s1)c1ccccc1 ZINC000480580834 1039725867 /nfs/dbraw/zinc/72/58/67/1039725867.db2.gz RGMGSDRWVQGYBA-LBPRGKRZSA-N -1 0 345.390 3.949 20 0 EHADRM Fc1ccc([C@H]2CC[C@H](N=c3[n-]nc(C(F)(F)F)s3)C2)cc1 ZINC000480582326 1039729737 /nfs/dbraw/zinc/72/97/37/1039729737.db2.gz PYGITRHJQRNAQS-ONGXEEELSA-N -1 0 331.338 3.866 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(C(=O)C3CCC3)cc2)c1 ZINC000486091384 1039866580 /nfs/dbraw/zinc/86/65/80/1039866580.db2.gz XIYZYHSBUOGRJR-UHFFFAOYSA-N -1 0 347.411 3.918 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1cncc(C(F)(F)F)c1 ZINC000554889528 1039889460 /nfs/dbraw/zinc/88/94/60/1039889460.db2.gz PDTCJHLKOLBUCF-UHFFFAOYSA-N -1 0 334.656 3.851 20 0 EHADRM Cc1cc2n[nH]cc2cc1NS(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000479122600 1039994834 /nfs/dbraw/zinc/99/48/34/1039994834.db2.gz WJPNDNJPLMCOJZ-UHFFFAOYSA-N -1 0 343.452 3.871 20 0 EHADRM Cc1cc(C)cc([C@@H](NCc2cnc([C@@H]3CCCO3)s2)C(=O)[O-])c1 ZINC000417564672 1040012776 /nfs/dbraw/zinc/01/27/76/1040012776.db2.gz OSZRDWSFWDJSQG-JKSUJKDBSA-N -1 0 346.452 3.527 20 0 EHADRM CCc1nc(CNCc2cnc(C3CCCC3)s2)ccc1C(=O)[O-] ZINC000417566847 1040015634 /nfs/dbraw/zinc/01/56/34/1040015634.db2.gz NNPRSYWKYQIRLN-UHFFFAOYSA-N -1 0 345.468 3.746 20 0 EHADRM CC[C@H](C)c1cc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)on1 ZINC000486286367 1040037628 /nfs/dbraw/zinc/03/76/28/1040037628.db2.gz VGNCDAYYHJHMEM-NSHDSACASA-N -1 0 330.384 3.803 20 0 EHADRM Cc1ncsc1CN[C@@]1(C(=O)[O-])C[C@@H](C(C)C)c2ccccc21 ZINC000417575577 1040039154 /nfs/dbraw/zinc/03/91/54/1040039154.db2.gz GGAJVVPISBQXCE-KSSFIOAISA-N -1 0 330.453 3.665 20 0 EHADRM Cc1cnc(CN[C@@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)s1 ZINC000417589917 1040040758 /nfs/dbraw/zinc/04/07/58/1040040758.db2.gz QRNSASOWSRKVMO-LBPRGKRZSA-N -1 0 344.358 3.776 20 0 EHADRM Cc1csc(CN[C@]2(C(=O)[O-])C[C@H](C(C)C)c3ccccc32)n1 ZINC000417588230 1040040971 /nfs/dbraw/zinc/04/09/71/1040040971.db2.gz OUDGLJXWXJUULC-RDTXWAMCSA-N -1 0 330.453 3.665 20 0 EHADRM COc1cc(C(=O)[O-])cc(NCc2cnc(C3CCC3)s2)c1OC ZINC000417590464 1040043575 /nfs/dbraw/zinc/04/35/75/1040043575.db2.gz RGNQZRBGMKUYDK-UHFFFAOYSA-N -1 0 348.424 3.738 20 0 EHADRM O=C([O-])Cc1ccc(NCc2cc(Cl)c3c(c2)OCCCO3)cc1 ZINC000417596298 1040050292 /nfs/dbraw/zinc/05/02/92/1040050292.db2.gz ZPBRUHMWGFDLFC-UHFFFAOYSA-N -1 0 347.798 3.741 20 0 EHADRM C[C@@H](CC(=O)[O-])c1ccc(NCc2ccc3c(c2)OCCO3)cc1 ZINC000417612265 1040081889 /nfs/dbraw/zinc/08/18/89/1040081889.db2.gz QQLDQVABHCFPTG-ZDUSSCGKSA-N -1 0 327.380 3.648 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2cc(C3CC3)oc2C2CC2)c1 ZINC000907610187 1040098990 /nfs/dbraw/zinc/09/89/90/1040098990.db2.gz UNDLGPQSEQDLED-UHFFFAOYSA-N -1 0 325.364 3.914 20 0 EHADRM CSc1ccc(CCC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000907628314 1040110439 /nfs/dbraw/zinc/11/04/39/1040110439.db2.gz IYAYMCNGVWGTOZ-OAHLLOKOSA-N -1 0 349.496 3.691 20 0 EHADRM C[C@@]1(NC(=O)c2cc(C3CC3)oc2C2CC2)CCCC[C@@H]1C(=O)[O-] ZINC000907633391 1040110549 /nfs/dbraw/zinc/11/05/49/1040110549.db2.gz CAWLELVEHHNWHR-AUUYWEPGSA-N -1 0 331.412 3.798 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2ccc(Cl)c3occc32)CC1 ZINC000907616973 1040117064 /nfs/dbraw/zinc/11/70/64/1040117064.db2.gz QZCQIZATYVBEHF-UHFFFAOYSA-N -1 0 335.787 3.803 20 0 EHADRM COc1cc(NC(=O)c2cnc(CC(C)(C)C)s2)ccc1C(=O)[O-] ZINC000907659348 1040119544 /nfs/dbraw/zinc/11/95/44/1040119544.db2.gz BDOGRBHYCOHOCL-UHFFFAOYSA-N -1 0 348.424 3.691 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000907717930 1040143910 /nfs/dbraw/zinc/14/39/10/1040143910.db2.gz AKOWSCLWJGSSFL-WDEREUQCSA-N -1 0 337.347 3.775 20 0 EHADRM Cc1oc(C(C)(C)C)cc1C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC000907735508 1040151526 /nfs/dbraw/zinc/15/15/26/1040151526.db2.gz KIFMTWKNEPQJCK-VNHYZAJKSA-N -1 0 333.428 3.601 20 0 EHADRM Cc1ccc2cccc(S(=O)(=O)[N-]c3ccc(F)cc3C)c2n1 ZINC000567566536 1040154418 /nfs/dbraw/zinc/15/44/18/1040154418.db2.gz CSKHYZOWJVTJTK-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2nc(C3CCC3)cs2)C[C@@H]1c1ccccc1 ZINC000907767315 1040157920 /nfs/dbraw/zinc/15/79/20/1040157920.db2.gz SKUMZIBTJWXNBQ-FZKQIMNGSA-N -1 0 342.420 3.608 20 0 EHADRM Cc1cc(F)ccc1[C@H](C)NC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC000907785462 1040170305 /nfs/dbraw/zinc/17/03/05/1040170305.db2.gz NAXSWPZXRFARMI-QKMWGZLOSA-N -1 0 341.382 3.570 20 0 EHADRM Cc1cc(F)ccc1[C@H](C)NC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC000907785618 1040170863 /nfs/dbraw/zinc/17/08/63/1040170863.db2.gz NAXSWPZXRFARMI-WSXQUGQNSA-N -1 0 341.382 3.570 20 0 EHADRM CC[C@@H](c1n[n-]c(=NCc2cncc(F)c2)s1)c1ccccc1 ZINC000489758733 1040190169 /nfs/dbraw/zinc/19/01/69/1040190169.db2.gz HTUUMOAKOVEJAS-OAHLLOKOSA-N -1 0 328.416 3.648 20 0 EHADRM CC(C)Oc1c(NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C[C@H]2C)cccc1C(=O)[O-] ZINC000907847869 1040197276 /nfs/dbraw/zinc/19/72/76/1040197276.db2.gz PXDQYAKEQFGEQU-UKTARXLSSA-N -1 0 331.412 3.793 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)c3sccc3-c3ccccc3)[C@@H]2C1 ZINC000907924609 1040233614 /nfs/dbraw/zinc/23/36/14/1040233614.db2.gz JRYSSQNUFRILPQ-XOUADPBQSA-N -1 0 341.432 3.644 20 0 EHADRM CCC[C@@H](C(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@H]12)c1ccc(Cl)cc1 ZINC000907951615 1040243918 /nfs/dbraw/zinc/24/39/18/1040243918.db2.gz DQOGVJHUMANQNK-LZDOMEQBSA-N -1 0 349.858 3.839 20 0 EHADRM Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@H]12 ZINC000907950413 1040244815 /nfs/dbraw/zinc/24/48/15/1040244815.db2.gz WBCRTOITOAPJDJ-IDENBPMYSA-N -1 0 349.430 3.891 20 0 EHADRM CCC[C@@H](C(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@H]12)c1cccc(Cl)c1 ZINC000907954420 1040244896 /nfs/dbraw/zinc/24/48/96/1040244896.db2.gz YKGCLXOAVXTJDH-LZDOMEQBSA-N -1 0 349.858 3.839 20 0 EHADRM O=S(=O)([N-]c1cc(-c2cccc(Cl)c2)on1)c1cccs1 ZINC000486579957 1040249691 /nfs/dbraw/zinc/24/96/91/1040249691.db2.gz GMWHXCUYIGWRPD-UHFFFAOYSA-N -1 0 340.813 3.857 20 0 EHADRM Cc1occ(C(F)(F)F)c1C(=O)N1CCc2c1cccc2C(=O)[O-] ZINC000907985020 1040257753 /nfs/dbraw/zinc/25/77/53/1040257753.db2.gz QQCKCKJDPDJCIU-UHFFFAOYSA-N -1 0 339.269 3.508 20 0 EHADRM CCCOc1cccc([N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000512606121 1040264884 /nfs/dbraw/zinc/26/48/84/1040264884.db2.gz LNZDBCJSTVKBBO-UHFFFAOYSA-N -1 0 327.352 3.554 20 0 EHADRM O=C([O-])c1ccc2c(c1)N(C(=O)c1cc(C3CC3)oc1C1CC1)CC2 ZINC000908065187 1040285151 /nfs/dbraw/zinc/28/51/51/1040285151.db2.gz NOVZWXXALRQSJZ-UHFFFAOYSA-N -1 0 337.375 3.936 20 0 EHADRM CN(C(=O)[C@H]1C[C@]12CCCc1ccccc12)c1cccc(CC(=O)[O-])c1 ZINC000908078729 1040290017 /nfs/dbraw/zinc/29/00/17/1040290017.db2.gz AZBXZBNUJILTOU-KNQAVFIVSA-N -1 0 349.430 3.571 20 0 EHADRM CN(C(=O)[C@@H]1C[C@]12CCCc1ccccc12)c1cccc(CC(=O)[O-])c1 ZINC000908078733 1040290466 /nfs/dbraw/zinc/29/04/66/1040290466.db2.gz AZBXZBNUJILTOU-UGKGYDQZSA-N -1 0 349.430 3.571 20 0 EHADRM FC(F)(F)c1n[n-]c(=N[C@H]2C[C@H](c3ccccc3Cl)C2)s1 ZINC000555267597 1040349341 /nfs/dbraw/zinc/34/93/41/1040349341.db2.gz BRFDIAQSGJTVFX-ZKCHVHJHSA-N -1 0 333.766 3.990 20 0 EHADRM Cc1cc2ccc(Cl)cc2nc1-n1[n-]c(C2CCOCC2)cc1=O ZINC000899353367 1040360225 /nfs/dbraw/zinc/36/02/25/1040360225.db2.gz XTCWTZNBBYBWDE-UHFFFAOYSA-N -1 0 343.814 3.716 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)CSc2ccc3ccccc3c2)C1 ZINC000908365511 1040416041 /nfs/dbraw/zinc/41/60/41/1040416041.db2.gz LAKGBAHGWYLMEL-CJNGLKHVSA-N -1 0 343.448 3.692 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)CC2CCC(C(F)(F)F)CC2)C1 ZINC000908373714 1040417070 /nfs/dbraw/zinc/41/70/70/1040417070.db2.gz OYZXBKVXUGFYGW-KPFVRQRISA-N -1 0 335.366 3.505 20 0 EHADRM CCCc1cc(=O)n(-c2nc(C)nc3sc4c(c32)CCCC4)[n-]1 ZINC000614185139 1040420131 /nfs/dbraw/zinc/42/01/31/1040420131.db2.gz JRFSWHGWXCTAAQ-UHFFFAOYSA-N -1 0 328.441 3.771 20 0 EHADRM CO[C@H]1CCC[C@@H]1Sc1n[n-]c(=Nc2cccc(F)c2)s1 ZINC000645028576 1040432362 /nfs/dbraw/zinc/43/23/62/1040432362.db2.gz CSPZRVNXTNWVFZ-RYUDHWBXSA-N -1 0 325.434 3.502 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c(F)c1 ZINC000479593941 1040433806 /nfs/dbraw/zinc/43/38/06/1040433806.db2.gz NGHHQRBROQCOHO-RYUDHWBXSA-N -1 0 333.746 3.920 20 0 EHADRM CC(C)(C)CCS(=O)(=O)[N-][C@H](c1ccc(F)cc1)C(F)(F)F ZINC000555396950 1040530194 /nfs/dbraw/zinc/53/01/94/1040530194.db2.gz SIIXVPAVBPRSGY-GFCCVEGCSA-N -1 0 341.370 3.785 20 0 EHADRM O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)Nc1cccc(-c2cccs2)c1 ZINC000908617772 1040548091 /nfs/dbraw/zinc/54/80/91/1040548091.db2.gz JCLKDEWQJYOEKL-BJJXKVORSA-N -1 0 342.420 3.885 20 0 EHADRM CC(C)=CC[C@H](NC(=O)Nc1cccc(COC(C)C)c1)C(=O)[O-] ZINC000908620658 1040549626 /nfs/dbraw/zinc/54/96/26/1040549626.db2.gz ZCXHYXAEPRSCFL-INIZCTEOSA-N -1 0 334.416 3.543 20 0 EHADRM O=C([O-])C12CCC(C(=O)Nc3ccc(OC(F)(F)F)cc3)(CC1)C2 ZINC000908690673 1040579332 /nfs/dbraw/zinc/57/93/32/1040579332.db2.gz GPRZKVDPHQMIJZ-UHFFFAOYSA-N -1 0 343.301 3.559 20 0 EHADRM C[C@@]1(CNC(=O)c2ccc3[n-]c(=S)oc3c2)CCOC2(CCC2)C1 ZINC000899488400 1040590739 /nfs/dbraw/zinc/59/07/39/1040590739.db2.gz PRPMPCBNTUUOQP-QGZVFWFLSA-N -1 0 346.452 3.586 20 0 EHADRM CC(C)N(Cc1cccc(Cl)c1)C(=O)c1csc(C(=O)[O-])n1 ZINC000908723307 1040595012 /nfs/dbraw/zinc/59/50/12/1040595012.db2.gz LVZBUJKJHKNYNT-UHFFFAOYSA-N -1 0 338.816 3.546 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000908703971 1040599306 /nfs/dbraw/zinc/59/93/06/1040599306.db2.gz DJUVQOBPYGJJHE-CQSZACIVSA-N -1 0 337.466 3.695 20 0 EHADRM CC[C@@H](c1n[n-]c(=NCc2ccnn2C(C)C)s1)c1ccccc1 ZINC000479761872 1040599447 /nfs/dbraw/zinc/59/94/47/1040599447.db2.gz DFCKWFVDGPZUIQ-MRXNPFEDSA-N -1 0 341.484 3.891 20 0 EHADRM CCC(CC)[C@H](NC(=O)CCSCC(=O)[O-])c1cccs1 ZINC000908752963 1040633798 /nfs/dbraw/zinc/63/37/98/1040633798.db2.gz ZTAUTVWDOKDGKW-HNNXBMFYSA-N -1 0 329.487 3.550 20 0 EHADRM CSCc1cccc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC000908786284 1040648826 /nfs/dbraw/zinc/64/88/26/1040648826.db2.gz XHOGSYSEIBFDBE-UHFFFAOYSA-N -1 0 333.453 3.913 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C[C@H]1CCC2(CCC2)O1 ZINC000908901572 1040706873 /nfs/dbraw/zinc/70/68/73/1040706873.db2.gz KAQVOSBYYSFULM-CQSZACIVSA-N -1 0 347.411 3.602 20 0 EHADRM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000913358340 1040757597 /nfs/dbraw/zinc/75/75/97/1040757597.db2.gz ZWIYLFXAKKESJL-ZIAGYGMSSA-N -1 0 347.422 3.795 20 0 EHADRM O=C([O-])[C@H](CC(F)F)NC(=O)Cc1ccc(C2CCCCC2)cc1 ZINC000659157358 1040836710 /nfs/dbraw/zinc/83/67/10/1040836710.db2.gz UGRMPLCEBNUKRP-HNNXBMFYSA-N -1 0 339.382 3.501 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]c1cc(-c2ccccc2F)on1 ZINC000433126765 1040863619 /nfs/dbraw/zinc/86/36/19/1040863619.db2.gz DXYQCTHZSOYWMS-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM COCCOCc1cccc(-c2ccc(CC(=O)[O-])cc2Cl)c1 ZINC000899633643 1040884425 /nfs/dbraw/zinc/88/44/25/1040884425.db2.gz FNZUJLQTFPHGHO-UHFFFAOYSA-N -1 0 334.799 3.797 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3F)on2)c(C)c1 ZINC000433138642 1040888829 /nfs/dbraw/zinc/88/88/29/1040888829.db2.gz YOHZWDBMVQJMLK-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM Cc1ccccc1CS(=O)(=O)[N-]c1cc(-c2ccccc2F)on1 ZINC000433142912 1040896158 /nfs/dbraw/zinc/89/61/58/1040896158.db2.gz WDWMBTKNRVZGIG-UHFFFAOYSA-N -1 0 346.383 3.731 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C[C@@H]2CCC(C)(C)CO2)cc1 ZINC000909287856 1040909744 /nfs/dbraw/zinc/90/97/44/1040909744.db2.gz DJTQYYCQKIMKHF-HNNXBMFYSA-N -1 0 333.428 3.583 20 0 EHADRM CCCCOc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])c(Cl)c1 ZINC000909714459 1040948277 /nfs/dbraw/zinc/94/82/77/1040948277.db2.gz LRFULHKMPILTMZ-DZGCQCFKSA-N -1 0 339.819 3.502 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000909722523 1040965951 /nfs/dbraw/zinc/96/59/51/1040965951.db2.gz YLFWEGZSTNJPSM-HUUCEWRRSA-N -1 0 349.477 3.641 20 0 EHADRM Cc1ccc(OCc2ccccc2)c(NC(=O)[C@H](C)CC(=O)[O-])c1 ZINC000909728932 1040972059 /nfs/dbraw/zinc/97/20/59/1040972059.db2.gz TWWXDNNKBVILHT-CQSZACIVSA-N -1 0 327.380 3.623 20 0 EHADRM CC(C)Oc1ccc(N(C)C(=O)c2ccccc2CCC(=O)[O-])cc1 ZINC000909730825 1040979286 /nfs/dbraw/zinc/97/92/86/1040979286.db2.gz IOMSEIAIJSKVEQ-UHFFFAOYSA-N -1 0 341.407 3.768 20 0 EHADRM CO[C@@H](C)c1nc(C)c(C(=O)Nc2ccc3[n-]c(=S)oc3c2)s1 ZINC000163700165 1040995591 /nfs/dbraw/zinc/99/55/91/1040995591.db2.gz GPMRJTTZEOVINS-QMMMGPOBSA-N -1 0 349.437 3.841 20 0 EHADRM CC[C@H](C)CN(C)C(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1 ZINC000481537862 1041032744 /nfs/dbraw/zinc/03/27/44/1041032744.db2.gz VSGKZEVFZSEPAQ-JTQLQIEISA-N -1 0 338.864 3.790 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)c2csc(C3CCCCC3)n2)C1 ZINC000909842612 1041036618 /nfs/dbraw/zinc/03/66/18/1041036618.db2.gz NTXJLODBFPFRMA-KRWDZBQOSA-N -1 0 336.457 3.518 20 0 EHADRM Cc1ccc([C@H](CNC(=O)[C@@H](C)c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000652060532 1041083823 /nfs/dbraw/zinc/08/38/23/1041083823.db2.gz YHVOINGUMFLKCT-GUYCJALGSA-N -1 0 345.826 3.737 20 0 EHADRM CC1(C)CC[C@H]1C(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC000659161697 1041085487 /nfs/dbraw/zinc/08/54/87/1041085487.db2.gz XAWBJIHFLSCDLY-ZDUSSCGKSA-N -1 0 344.436 3.561 20 0 EHADRM O=C(NCCC1CC(O)C1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000555760737 1041099626 /nfs/dbraw/zinc/09/96/26/1041099626.db2.gz XQIAUIDKXAEMTO-UHFFFAOYSA-N -1 0 345.826 3.603 20 0 EHADRM CC[C@H](NC(=O)C[C@H](C(=O)[O-])c1ccc(C)cc1)c1nc(C)cs1 ZINC000899773137 1041110854 /nfs/dbraw/zinc/11/08/54/1041110854.db2.gz YDIBIDONTRFKIX-GJZGRUSLSA-N -1 0 346.452 3.586 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1ccc(OC(F)F)cc1F ZINC000899782889 1041118224 /nfs/dbraw/zinc/11/82/24/1041118224.db2.gz QYKVLKRZZOTPPF-SECBINFHSA-N -1 0 333.306 3.503 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000555771472 1041126589 /nfs/dbraw/zinc/12/65/89/1041126589.db2.gz FRTSTSMXZRADRU-HNNXBMFYSA-N -1 0 332.787 3.938 20 0 EHADRM CC(C)(C(=O)N1CCC([C@H](CC(=O)[O-])c2ccccc2)CC1)C1CC1 ZINC000910033853 1041156053 /nfs/dbraw/zinc/15/60/53/1041156053.db2.gz LTGMCMJVEUDIDA-GOSISDBHSA-N -1 0 343.467 3.920 20 0 EHADRM CC/C(C)=C\C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000910038317 1041158013 /nfs/dbraw/zinc/15/80/13/1041158013.db2.gz CLJDHHFTKWTWKC-TWGQIWQCSA-N -1 0 331.290 3.621 20 0 EHADRM Cc1ccc([C@H](CC(=O)N(C)[C@H](C)c2ccccc2F)C(=O)[O-])cc1 ZINC000899814628 1041158638 /nfs/dbraw/zinc/15/86/38/1041158638.db2.gz RPZLHYNUXNZTCP-PBHICJAKSA-N -1 0 343.398 3.912 20 0 EHADRM Cc1nc(-c2ccc(C(=O)N3CCCCC[C@H]3C(=O)[O-])cc2)cs1 ZINC000910044626 1041162795 /nfs/dbraw/zinc/16/27/95/1041162795.db2.gz QMEJLDVHCHDEEW-INIZCTEOSA-N -1 0 344.436 3.588 20 0 EHADRM Cc1ccc([C@H](CC(=O)N2Cc3ccccc3C[C@@H]2C)C(=O)[O-])cc1 ZINC000899821121 1041179483 /nfs/dbraw/zinc/17/94/83/1041179483.db2.gz GPHLIISBZGQZEB-KXBFYZLASA-N -1 0 337.419 3.527 20 0 EHADRM Cc1cc(F)ccc1[C@@H](C)NC(=O)[C@@](C)(CC(=O)[O-])c1ccsc1 ZINC000899836714 1041180497 /nfs/dbraw/zinc/18/04/97/1041180497.db2.gz OMSUZSVPYWKCQP-XIKOKIGWSA-N -1 0 349.427 3.805 20 0 EHADRM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])cs1 ZINC000910100654 1041190325 /nfs/dbraw/zinc/19/03/25/1041190325.db2.gz DRLZXLAHDLIDMH-LOWVWBTDSA-N -1 0 336.457 3.577 20 0 EHADRM O=C([O-])c1csc([C@@H]2CCCN2C(=O)c2cccc(C3CC3)c2)n1 ZINC000910105250 1041192077 /nfs/dbraw/zinc/19/20/77/1041192077.db2.gz UGKVVFCUUBRLHN-HNNXBMFYSA-N -1 0 342.420 3.696 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000571178412 1041193818 /nfs/dbraw/zinc/19/38/18/1041193818.db2.gz COMSKLXUVZRLIR-GTNSWQLSSA-N -1 0 349.477 3.785 20 0 EHADRM C[C@@H](CC1CCCC1)C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])cs1 ZINC000910113641 1041197190 /nfs/dbraw/zinc/19/71/90/1041197190.db2.gz JLBJJXLZMNSXIW-SMDDNHRTSA-N -1 0 336.457 3.721 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1cccc(COC(C)(C)C)c1 ZINC000899843639 1041204241 /nfs/dbraw/zinc/20/42/41/1041204241.db2.gz VABCRZWSLBOGNM-NEPJUHHUSA-N -1 0 339.457 3.535 20 0 EHADRM CCc1ccc(NC(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)cc1F ZINC000555853012 1041228634 /nfs/dbraw/zinc/22/86/34/1041228634.db2.gz QTNQSERUXCBFNN-MRXNPFEDSA-N -1 0 330.359 3.678 20 0 EHADRM CSCCCCC(=O)N[C@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC000909326376 1041245871 /nfs/dbraw/zinc/24/58/71/1041245871.db2.gz PAHXNZPFYZALFW-CQSZACIVSA-N -1 0 341.498 3.574 20 0 EHADRM Cc1c(C(=O)[O-])sc2ncnc(NC[C@@H]3CCO[C@@H](C(C)C)C3)c12 ZINC000571288230 1041255565 /nfs/dbraw/zinc/25/55/65/1041255565.db2.gz UEMQGLKMDFOTMI-VXGBXAGGSA-N -1 0 349.456 3.561 20 0 EHADRM O=C([O-])CSCC(=O)Nc1ccc(CCCc2ccccc2)cc1 ZINC000571325711 1041265236 /nfs/dbraw/zinc/26/52/36/1041265236.db2.gz TWMPXAGNNVAMBE-UHFFFAOYSA-N -1 0 343.448 3.618 20 0 EHADRM CC(F)(F)c1cccc(NC(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])c1 ZINC000571401728 1041286964 /nfs/dbraw/zinc/28/69/64/1041286964.db2.gz YYTSNZCYMJOBOD-GDLCADMTSA-N -1 0 338.354 3.515 20 0 EHADRM Cc1ccncc1CSc1n[n-]c(=Nc2ccccc2F)s1 ZINC000433379005 1041366309 /nfs/dbraw/zinc/36/63/09/1041366309.db2.gz XBDRTVASFZBMFK-UHFFFAOYSA-N -1 0 332.429 3.838 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)Nc1cccc(Cl)c1 ZINC000320503681 1041433453 /nfs/dbraw/zinc/43/34/53/1041433453.db2.gz JIBQLJBUSFMOOA-OAHLLOKOSA-N -1 0 330.771 3.556 20 0 EHADRM CC(C)[C@H](CC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000432131126 1041626945 /nfs/dbraw/zinc/62/69/45/1041626945.db2.gz RUZXDIAJHZOCFT-QKLQHJQFSA-N -1 0 331.456 3.966 20 0 EHADRM Cc1ccc(C(C)C)c(OCC(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])c1 ZINC000432131985 1041631607 /nfs/dbraw/zinc/63/16/07/1041631607.db2.gz XZHJTHHRTBWXKZ-JXFKEZNVSA-N -1 0 347.455 3.647 20 0 EHADRM CCc1oc(C(=O)N2CCC[C@@H](c3ccccc3)C2)cc1C(=O)[O-] ZINC000659166137 1041634969 /nfs/dbraw/zinc/63/49/69/1041634969.db2.gz NCMUAUYKACBYIY-CQSZACIVSA-N -1 0 327.380 3.560 20 0 EHADRM Cc1cc(=NC(=O)N2CCC(c3cccc(Cl)c3)CC2)[n-]nc1C ZINC000432147110 1041653333 /nfs/dbraw/zinc/65/33/33/1041653333.db2.gz FIHDMGDWQQHMHR-UHFFFAOYSA-N -1 0 344.846 3.580 20 0 EHADRM CCOc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000013173731 1041667612 /nfs/dbraw/zinc/66/76/12/1041667612.db2.gz GDKWKRHKEMIVGM-MRXNPFEDSA-N -1 0 347.798 3.685 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1 ZINC000652125967 1041673312 /nfs/dbraw/zinc/67/33/12/1041673312.db2.gz OGNVVIVIXXJAHH-ZOCIIQOWSA-N -1 0 343.467 3.873 20 0 EHADRM CO[C@@H](C)c1nc(=NCC[C@H](c2ccccc2)C(F)(F)F)s[n-]1 ZINC000432162499 1041674844 /nfs/dbraw/zinc/67/48/44/1041674844.db2.gz NLEDBAJWTTXXEO-CMPLNLGQSA-N -1 0 345.390 3.816 20 0 EHADRM COc1ccc([C@@H](Cc2ccccc2)N=c2[n-]nc(C(F)F)o2)cc1 ZINC000432180057 1041695017 /nfs/dbraw/zinc/69/50/17/1041695017.db2.gz UHSNJZVDZAENGO-OAHLLOKOSA-N -1 0 345.349 3.834 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647695353 1041729023 /nfs/dbraw/zinc/72/90/23/1041729023.db2.gz DESHAJJOVXUCGL-GXSJLCMTSA-N -1 0 342.848 3.827 20 0 EHADRM CCCCC1CCC(C(=O)NCc2nc(C)c(C(=O)[O-])s2)CC1 ZINC000320796248 1041775868 /nfs/dbraw/zinc/77/58/68/1041775868.db2.gz JCAUEBZLDDILEU-UHFFFAOYSA-N -1 0 338.473 3.763 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC000647700721 1041792640 /nfs/dbraw/zinc/79/26/40/1041792640.db2.gz ZYVQBXVNSKBJPL-WDEREUQCSA-N -1 0 340.807 3.502 20 0 EHADRM O=C([O-])c1cc(NC(CCC(F)(F)F)CCC(F)(F)F)ccn1 ZINC000662886489 1042192254 /nfs/dbraw/zinc/19/22/54/1042192254.db2.gz GHLUBLQKIIXSPU-UHFFFAOYSA-N -1 0 344.255 3.667 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1c1nccc2cc(Br)ccc21 ZINC000662892340 1042200934 /nfs/dbraw/zinc/20/09/34/1042200934.db2.gz AHWOLFIDKBMBGM-ZYHUDNBSSA-N -1 0 349.228 3.687 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)c1cc(F)c(Cl)cc1Cl ZINC000236741452 1042254562 /nfs/dbraw/zinc/25/45/62/1042254562.db2.gz VZDXSKMXXZYUHK-UHFFFAOYSA-N -1 0 336.190 3.705 20 0 EHADRM CC(F)(F)c1cccc(NC(=O)c2nn(-c3ccccc3)cc2[O-])c1 ZINC000487361717 1042303910 /nfs/dbraw/zinc/30/39/10/1042303910.db2.gz MKJXLXGRQMLNIL-UHFFFAOYSA-N -1 0 343.333 3.942 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000048382391 1042326861 /nfs/dbraw/zinc/32/68/61/1042326861.db2.gz VTLBJHKRSPFBJT-QWHCGFSZSA-N -1 0 337.803 3.734 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)N(CC1CC1)CC1CCC1 ZINC000432235967 1042389615 /nfs/dbraw/zinc/38/96/15/1042389615.db2.gz OGTLGDKYUDOIAE-UHFFFAOYSA-N -1 0 336.439 3.610 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)s2)cc1Cl ZINC000048655556 1042400607 /nfs/dbraw/zinc/40/06/07/1042400607.db2.gz QRRPURFOCIHRRZ-UHFFFAOYSA-N -1 0 331.846 3.909 20 0 EHADRM O=C(NC1CCC2(CCCCC2)CC1)c1ccc2oc(=O)nc-2[n-]1 ZINC000613857982 1042427604 /nfs/dbraw/zinc/42/76/04/1042427604.db2.gz KGBZRCOJSBYJEH-UHFFFAOYSA-N -1 0 329.400 3.551 20 0 EHADRM Cc1ccccc1-c1csc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)n1 ZINC000663081854 1042430365 /nfs/dbraw/zinc/43/03/65/1042430365.db2.gz OOKGMVOAMQNSJS-CYBMUJFWSA-N -1 0 332.425 3.804 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N2C[C@@H](C)C(F)(F)[C@@H](C)C2)s1 ZINC000626236397 1042448886 /nfs/dbraw/zinc/44/88/86/1042448886.db2.gz WCLDJSCDTKFKJR-AOOOYVTPSA-N -1 0 346.447 3.619 20 0 EHADRM Cc1cc(NC(=O)[C@]2(C(=O)[O-])CC2(C)C)ccc1Oc1cccnc1 ZINC000663111462 1042463517 /nfs/dbraw/zinc/46/35/17/1042463517.db2.gz OVRQWLCIJQTNGC-IBGZPJMESA-N -1 0 340.379 3.622 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1scnc1C1CCCC1)CC(=O)[O-] ZINC000663139867 1042487710 /nfs/dbraw/zinc/48/77/10/1042487710.db2.gz QWTUJWZFUADMBM-LBPRGKRZSA-N -1 0 338.473 3.668 20 0 EHADRM O=C([O-])[C@H]1CN(Cc2csc(C3CCCC3)n2)Cc2ccccc21 ZINC000652471018 1042494498 /nfs/dbraw/zinc/49/44/98/1042494498.db2.gz QHXWTJZCWCHPOI-KRWDZBQOSA-N -1 0 342.464 3.985 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000663148195 1042494524 /nfs/dbraw/zinc/49/45/24/1042494524.db2.gz QSZWHVBHKKZHPZ-UHFFFAOYSA-N -1 0 339.697 3.822 20 0 EHADRM Cc1ccc(-c2nc(CN(CC(=O)[O-])C3CCCCC3)cs2)o1 ZINC000652481700 1042498461 /nfs/dbraw/zinc/49/84/61/1042498461.db2.gz WOLYPXMEFIZHDQ-UHFFFAOYSA-N -1 0 334.441 3.931 20 0 EHADRM COc1c(F)cc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)cc1F ZINC001211684902 1042520735 /nfs/dbraw/zinc/52/07/35/1042520735.db2.gz ZFYCEHHAEIHBSL-UHFFFAOYSA-N -1 0 349.742 3.617 20 0 EHADRM C[C@]1(c2cccc(F)c2)CCN(C(=O)c2cc(F)c([O-])c(F)c2)C1 ZINC000652619909 1042583039 /nfs/dbraw/zinc/58/30/39/1042583039.db2.gz VSIFIEZMMNBVPE-SFHVURJKSA-N -1 0 335.325 3.613 20 0 EHADRM COc1cc(OC)cc(-c2noc(-c3ccc(Cl)cc3[O-])n2)c1 ZINC000323523703 1042589101 /nfs/dbraw/zinc/58/91/01/1042589101.db2.gz UXHOGTZBRWCXBH-UHFFFAOYSA-N -1 0 332.743 3.780 20 0 EHADRM CCCn1cc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)cn1 ZINC000663261528 1042608468 /nfs/dbraw/zinc/60/84/68/1042608468.db2.gz KJLYYKTWCPFTBR-CQSZACIVSA-N -1 0 342.226 3.515 20 0 EHADRM O=C(Nc1cccc(OCc2cscn2)c1)c1c([O-])cccc1F ZINC000184731735 1042613167 /nfs/dbraw/zinc/61/31/67/1042613167.db2.gz HPNMQYMLGABSER-UHFFFAOYSA-N -1 0 344.367 3.819 20 0 EHADRM FC(F)(F)c1n[n-]c(=S)n1N=Cc1ccc(Cl)cc1Cl ZINC000254875270 1042635842 /nfs/dbraw/zinc/63/58/42/1042635842.db2.gz ZJXIJIFMEGYKKP-UHFFFAOYSA-N -1 0 341.145 3.775 20 0 EHADRM O=C(c1ccc(Cl)cc1O)N1CCO[C@@H](CCc2ccccc2)C1 ZINC000185602054 1042635958 /nfs/dbraw/zinc/63/59/58/1042635958.db2.gz XGPMZPQCTHADEF-INIZCTEOSA-N -1 0 345.826 3.519 20 0 EHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)[C@H](C)S[C@@H](C)C(=O)[O-])o1 ZINC000601989989 1042654596 /nfs/dbraw/zinc/65/45/96/1042654596.db2.gz FTWFMPTXGGAHRT-IHRRRGAJSA-N -1 0 339.457 3.627 20 0 EHADRM O=C(NCc1csc(-c2ccccc2)n1)c1cc(F)c([O-])c(F)c1 ZINC000186441435 1042661617 /nfs/dbraw/zinc/66/16/17/1042661617.db2.gz TZGISDHXTISIRJ-UHFFFAOYSA-N -1 0 346.358 3.724 20 0 EHADRM CC(C)c1ccccc1OCCNC(=O)c1cc(F)c([O-])c(F)c1 ZINC000186806972 1042709049 /nfs/dbraw/zinc/70/90/49/1042709049.db2.gz PJGKFXNVTUWXQD-UHFFFAOYSA-N -1 0 335.350 3.603 20 0 EHADRM CCCCOc1ccc(NC(=O)NCC2(C(=O)[O-])CCC2)c(C)c1 ZINC000663343107 1042725335 /nfs/dbraw/zinc/72/53/35/1042725335.db2.gz CWCJVLWCTCKPDF-UHFFFAOYSA-N -1 0 334.416 3.550 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663342824 1042728770 /nfs/dbraw/zinc/72/87/70/1042728770.db2.gz PMZSVEMBYOJEGM-LLVKDONJSA-N -1 0 342.848 3.684 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1nc2ccsc2s1)CC(=O)[O-] ZINC000663345005 1042729844 /nfs/dbraw/zinc/72/98/44/1042729844.db2.gz DTXZJGBAVCDEEW-VIFPVBQESA-N -1 0 341.458 3.616 20 0 EHADRM FC(F)c1n[n-]c(=NCc2cccc(COc3ccccc3)c2)o1 ZINC000432310269 1042760995 /nfs/dbraw/zinc/76/09/95/1042760995.db2.gz HGLABYNHGZPJDO-UHFFFAOYSA-N -1 0 331.322 3.620 20 0 EHADRM Cc1nc(C)c(CNc2cc(Br)cc(C(=O)[O-])c2)s1 ZINC000311926863 1042870827 /nfs/dbraw/zinc/87/08/27/1042870827.db2.gz TZOZGQJCOXJUNW-UHFFFAOYSA-N -1 0 341.230 3.833 20 0 EHADRM FC(F)c1n[n-]c(=NCc2ccccc2COCc2ccccc2)o1 ZINC000432322583 1042882162 /nfs/dbraw/zinc/88/21/62/1042882162.db2.gz MCICJLPKPSNCAC-UHFFFAOYSA-N -1 0 345.349 3.758 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N[C@@H]2CCC[C@@H](SC)C2)s1 ZINC000343960122 1042952437 /nfs/dbraw/zinc/95/24/37/1042952437.db2.gz HTUMISMEHAOZKG-VXGBXAGGSA-N -1 0 342.534 3.659 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)c2ccn(C(CC)CC)n2)s1 ZINC000432347928 1042986075 /nfs/dbraw/zinc/98/60/75/1042986075.db2.gz OVSNNAHHELTBOW-UHFFFAOYSA-N -1 0 335.477 3.503 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000315803940 1043002900 /nfs/dbraw/zinc/00/29/00/1043002900.db2.gz UOVQNKFAOMXTQC-UHFFFAOYSA-N -1 0 338.713 3.686 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)Nc1ccc(F)c(F)c1 ZINC000323979375 1043187126 /nfs/dbraw/zinc/18/71/26/1043187126.db2.gz DXURHWUHQFCYQP-CQSZACIVSA-N -1 0 326.343 3.510 20 0 EHADRM CN(C(=O)Nc1ccc(C(F)(F)F)cc1)C1(C(=O)[O-])CCCC1 ZINC000324167470 1043273878 /nfs/dbraw/zinc/27/38/78/1043273878.db2.gz UXYVNQJFJMHJKA-UHFFFAOYSA-N -1 0 330.306 3.567 20 0 EHADRM O=C([O-])CN(C(=O)Nc1cccc(Oc2ccccc2)c1)C1CC1 ZINC000324573914 1043322234 /nfs/dbraw/zinc/32/22/34/1043322234.db2.gz DJHLMCSHPVKGRH-UHFFFAOYSA-N -1 0 326.352 3.560 20 0 EHADRM Cc1ccc(CCC2CCN(C(=O)CC(C)(C)C(=O)[O-])CC2)cc1 ZINC000325672213 1043372565 /nfs/dbraw/zinc/37/25/65/1043372565.db2.gz MBYXXINFLAJDSW-UHFFFAOYSA-N -1 0 331.456 3.667 20 0 EHADRM O=S(=O)([N-]c1ccc2oc(C3CC3)nc2c1)c1ccccc1F ZINC000032097223 1043758608 /nfs/dbraw/zinc/75/86/08/1043758608.db2.gz ZXFGQYYIBCJPKS-UHFFFAOYSA-N -1 0 332.356 3.645 20 0 EHADRM CC(C)c1ccc(C[C@@H](C)[N-]S(=O)(=O)[C@@H](C)C(F)(F)F)cc1 ZINC000544725964 1044402039 /nfs/dbraw/zinc/40/20/39/1044402039.db2.gz NAWDIHCTTBVVCT-NEPJUHHUSA-N -1 0 337.407 3.611 20 0 EHADRM CO[C@H](C)c1nc(=N[C@@H](C)[C@@H](OC)c2ccc(Cl)cc2)s[n-]1 ZINC000337878847 1044524015 /nfs/dbraw/zinc/52/40/15/1044524015.db2.gz SKUXWJLUBIFFHS-OPQQBVKSSA-N -1 0 341.864 3.509 20 0 EHADRM CC[C@@H]1Cc2ccccc2CN1C(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000345015260 1044818137 /nfs/dbraw/zinc/81/81/37/1044818137.db2.gz OPFOPTNLCQSPFZ-MRXNPFEDSA-N -1 0 332.403 3.505 20 0 EHADRM O=C(CCCc1ccc(O)c(F)c1)NCc1ccc2ccccc2n1 ZINC000345014114 1044819489 /nfs/dbraw/zinc/81/94/89/1044819489.db2.gz NJHDHRLYOWQLCR-UHFFFAOYSA-N -1 0 338.382 3.719 20 0 EHADRM O=S(=O)([N-]c1cc(C2CCCC2)[nH]n1)c1c(F)cccc1Cl ZINC000153516165 1125510593 /nfs/dbraw/zinc/51/05/93/1125510593.db2.gz YCOBIGLJDBKHTI-UHFFFAOYSA-N -1 0 343.811 3.661 20 0 EHADRM O=C(c1c([O-])cc(Cl)cc1Cl)N1CCC(c2ccon2)CC1 ZINC000620225318 1125518719 /nfs/dbraw/zinc/51/87/19/1125518719.db2.gz PRYQEZUCAURHCW-UHFFFAOYSA-N -1 0 341.194 3.707 20 0 EHADRM CCCCSc1ccc(Cl)cc1C(=O)[N-]S(=O)(=O)C(C)C ZINC000183557955 1125603842 /nfs/dbraw/zinc/60/38/42/1125603842.db2.gz GAIHIOSSTDKWRV-UHFFFAOYSA-N -1 0 349.905 3.700 20 0 EHADRM COC(=O)c1ccc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)s1 ZINC000154728634 1125753502 /nfs/dbraw/zinc/75/35/02/1125753502.db2.gz PLQRURDJNRFAGL-UHFFFAOYSA-N -1 0 346.191 3.799 20 0 EHADRM O=C([O-])[C@]1(NCc2cnc(C3CCCC3)s2)CCc2ccccc21 ZINC000901665508 1126128809 /nfs/dbraw/zinc/12/88/09/1126128809.db2.gz HQPXPTPTLCUOSJ-IBGZPJMESA-N -1 0 342.464 3.817 20 0 EHADRM CCn1cnc(C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)c1 ZINC000622481333 1126705813 /nfs/dbraw/zinc/70/58/13/1126705813.db2.gz PGKGSLCQUHPNBG-UHFFFAOYSA-N -1 0 334.590 3.821 20 0 EHADRM Cc1ccsc1CCNC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000622482919 1126708499 /nfs/dbraw/zinc/70/84/99/1126708499.db2.gz NJLVCVOYOKTPPO-UHFFFAOYSA-N -1 0 329.343 3.753 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)C[C@]1(C(=O)[O-])CCSC1)c1ccccc1 ZINC000622602095 1126728093 /nfs/dbraw/zinc/72/80/93/1126728093.db2.gz REZDPXITBXPNMV-DNVCBOLYSA-N -1 0 349.496 3.878 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2ccnn2[C@H](C)C2CC2)cc1 ZINC000171342597 1126762619 /nfs/dbraw/zinc/76/26/19/1126762619.db2.gz FCHJUHWGVQSSHL-CYBMUJFWSA-N -1 0 333.457 3.607 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1cnc(-c2ccncc2)s1 ZINC000173475636 1126833787 /nfs/dbraw/zinc/83/37/87/1126833787.db2.gz ZZDBHPNHKFGQKW-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM C[C@@H](CC(F)(F)F)C(=O)N=c1ccc(-c2ccc(Cl)s2)n[n-]1 ZINC000622929509 1126834540 /nfs/dbraw/zinc/83/45/40/1126834540.db2.gz TTZDFAZTDIFVFL-ZETCQYMHSA-N -1 0 349.765 3.807 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CC[C@@H](C)[C@H]3C)n2)c1 ZINC000176318850 1126911266 /nfs/dbraw/zinc/91/12/66/1126911266.db2.gz FAJYPAAKLNJTON-ZIAGYGMSSA-N -1 0 327.428 3.572 20 0 EHADRM O=C(NCc1ccc2ccccc2n1)c1ccc2[n-]c(=S)oc2c1 ZINC000072954614 1126949758 /nfs/dbraw/zinc/94/97/58/1126949758.db2.gz NHPBGQDIZFSVNU-UHFFFAOYSA-N -1 0 335.388 3.969 20 0 EHADRM CCCc1cnc(NC(=O)c2ccc(Br)c([O-])c2)s1 ZINC000181271331 1127272005 /nfs/dbraw/zinc/27/20/05/1127272005.db2.gz LUGYGIMCOAOTQY-UHFFFAOYSA-N -1 0 341.230 3.816 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cn2)c(C)o1 ZINC000183117270 1127363767 /nfs/dbraw/zinc/36/37/67/1127363767.db2.gz MAWBNNVJUHVYPB-UHFFFAOYSA-N -1 0 328.393 3.759 20 0 EHADRM O=C(N[C@H](C1CCCC1)C(F)(F)F)c1cc(F)c(F)c([O-])c1F ZINC000183071186 1127361516 /nfs/dbraw/zinc/36/15/16/1127361516.db2.gz UHTBMGMCIPEXST-GFCCVEGCSA-N -1 0 341.251 3.660 20 0 EHADRM O=C(Nc1ccccc1OCC(F)F)c1cc(F)c(F)c([O-])c1F ZINC000183279889 1127370497 /nfs/dbraw/zinc/37/04/97/1127370497.db2.gz QLRPEBAYPMHULN-UHFFFAOYSA-N -1 0 347.239 3.706 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCc2ccc(Cl)cc2C1 ZINC000183574712 1127380688 /nfs/dbraw/zinc/38/06/88/1127380688.db2.gz VZYXSZWDVUEIQA-UHFFFAOYSA-N -1 0 341.716 3.661 20 0 EHADRM CC(C)[C@@H]([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)c1ccccc1Cl ZINC000184492947 1127406753 /nfs/dbraw/zinc/40/67/53/1127406753.db2.gz WWDSAZDMKWGKEO-JOYOIKCWSA-N -1 0 343.798 3.907 20 0 EHADRM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000184971870 1127417600 /nfs/dbraw/zinc/41/76/00/1127417600.db2.gz RSJDPYYSCRAYHD-ZETCQYMHSA-N -1 0 345.267 3.921 20 0 EHADRM CC[C@H](C(=O)[N-]S(=O)(=O)c1cc(C)oc1C)C1CCC(C)CC1 ZINC000764787360 1127536297 /nfs/dbraw/zinc/53/62/97/1127536297.db2.gz BTRRMZZWDXGIAO-KWCHVYNWSA-N -1 0 341.473 3.554 20 0 EHADRM Cc1ccc([C@H](C)[C@H](O)C(=O)Nc2ccc3[n-]c(=S)oc3c2)cc1 ZINC000765175767 1127582333 /nfs/dbraw/zinc/58/23/33/1127582333.db2.gz FYNPRURSZQFYPK-ZBEGNZNMSA-N -1 0 342.420 3.528 20 0 EHADRM C[C@H](CC(=O)[O-])c1ccc(NCc2cnn(CC(F)(F)F)c2)cc1 ZINC000417607888 1127585963 /nfs/dbraw/zinc/58/59/63/1127585963.db2.gz HOZFZVPQBFPFRN-LLVKDONJSA-N -1 0 341.333 3.636 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2csc3ccccc32)n[nH]1 ZINC000671660491 1127765139 /nfs/dbraw/zinc/76/51/39/1127765139.db2.gz OYIJQVRPBIKLQP-UHFFFAOYSA-N -1 0 335.454 3.723 20 0 EHADRM Cc1oc(C)c(C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)c1C ZINC000671666911 1127792823 /nfs/dbraw/zinc/79/28/23/1127792823.db2.gz JJENSLKKMFNLLL-UHFFFAOYSA-N -1 0 335.787 3.585 20 0 EHADRM CCCCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000032630216 1127854448 /nfs/dbraw/zinc/85/44/48/1127854448.db2.gz YDJPHRJGUVLXQD-UHFFFAOYSA-N -1 0 335.425 3.675 20 0 EHADRM CCCc1nc(=NC(=O)c2ccc(-c3ccsc3)nc2C)s[n-]1 ZINC000338643588 1127968941 /nfs/dbraw/zinc/96/89/41/1127968941.db2.gz VBWNNQKOMIEMSH-UHFFFAOYSA-N -1 0 344.465 3.597 20 0 EHADRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000057123474 1128037636 /nfs/dbraw/zinc/03/76/36/1128037636.db2.gz LHLBOAAQTFEDPC-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)c1 ZINC000057126162 1128037924 /nfs/dbraw/zinc/03/79/24/1128037924.db2.gz LRKDCVSOMYZFKH-GFCCVEGCSA-N -1 0 345.424 3.541 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)c1 ZINC000057299953 1128044543 /nfs/dbraw/zinc/04/45/43/1128044543.db2.gz OFJVXKUCKIVABZ-CYBMUJFWSA-N -1 0 336.391 3.958 20 0 EHADRM CCOc1cc(/C=C/c2ncc(C(=O)[O-])c(C(C)C)n2)ccc1OC ZINC000172488107 1128049411 /nfs/dbraw/zinc/04/94/11/1128049411.db2.gz SJVAHIPZYBTQPJ-VQHVLOKHSA-N -1 0 342.395 3.876 20 0 EHADRM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cccc(Oc2ccccc2)c1 ZINC000057733419 1128055834 /nfs/dbraw/zinc/05/58/34/1128055834.db2.gz VTGURMUKOFJZGU-UHFFFAOYSA-N -1 0 343.408 3.620 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(Br)cc2[O-])c2ccccc21 ZINC000066046250 1128210401 /nfs/dbraw/zinc/21/04/01/1128210401.db2.gz VVVZTWGPFLKGDD-SNVBAGLBSA-N -1 0 332.197 3.919 20 0 EHADRM N#Cc1ccc(C(=O)[O-])nc1/C=C/c1ccc(OCC(F)(F)F)cc1 ZINC000067006368 1128230884 /nfs/dbraw/zinc/23/08/84/1128230884.db2.gz MAHKOVWJNYCXRM-XVNBXDOJSA-N -1 0 348.280 3.763 20 0 EHADRM FC(F)(F)c1cc(CN=c2nc(C3CCOCC3)[n-]s2)cs1 ZINC000624704870 1128462223 /nfs/dbraw/zinc/46/22/23/1128462223.db2.gz AHMQUQAHAJEVRZ-UHFFFAOYSA-N -1 0 349.403 3.546 20 0 EHADRM CC(C)Oc1ccccc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000055590388 1128524222 /nfs/dbraw/zinc/52/42/22/1128524222.db2.gz KDXFGSLUIQAKQI-UHFFFAOYSA-N -1 0 327.352 3.553 20 0 EHADRM CC(C)(C)c1n[n-]c(=NCc2cc(Cl)ccc2Br)o1 ZINC000542754128 1128574556 /nfs/dbraw/zinc/57/45/56/1128574556.db2.gz UQUSNMHOXVUWMK-UHFFFAOYSA-N -1 0 344.640 3.817 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)CC/C=C\c2ccccc2)sc1C(=O)[O-] ZINC000542779685 1128606819 /nfs/dbraw/zinc/60/68/19/1128606819.db2.gz ADNGNJPJPKQCAV-AGEOTTOMSA-N -1 0 344.436 3.821 20 0 EHADRM FC(F)(F)Cc1ccccc1CN=c1nc(C(F)(F)F)[n-]s1 ZINC000624752253 1128636311 /nfs/dbraw/zinc/63/63/11/1128636311.db2.gz HIAOUBNXPMTWJW-UHFFFAOYSA-N -1 0 341.280 3.696 20 0 EHADRM CCCCOc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c(C)c1 ZINC000060511818 1128734688 /nfs/dbraw/zinc/73/46/88/1128734688.db2.gz XMECORCXVJWJLP-JKSUJKDBSA-N -1 0 331.412 3.779 20 0 EHADRM COc1ccc(-c2noc(-c3cc(Br)ccc3[O-])n2)cc1 ZINC000149385653 1128807314 /nfs/dbraw/zinc/80/73/14/1128807314.db2.gz KHVAVPOWUFALEU-UHFFFAOYSA-N -1 0 347.168 3.880 20 0 EHADRM O=S(=O)(CCc1ccccc1)[N-]c1ccc(Cl)c2cccnc12 ZINC000074859337 1128828260 /nfs/dbraw/zinc/82/82/60/1128828260.db2.gz MBHZMQZIPXPKRF-UHFFFAOYSA-N -1 0 346.839 3.873 20 0 EHADRM O=C(c1nn(-c2ccc(Cl)cc2)cc1[O-])N1CCC2(CCC2)CC1 ZINC000672254951 1128885378 /nfs/dbraw/zinc/88/53/78/1128885378.db2.gz BJBVBECTIKZFGH-UHFFFAOYSA-N -1 0 345.830 3.638 20 0 EHADRM CC(C)Sc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])cc1 ZINC000263007388 1120313166 /nfs/dbraw/zinc/31/31/66/1120313166.db2.gz PJACORNGWWHAGI-CWRNSKLLSA-N -1 0 333.453 3.512 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)ccc2OC)cc1 ZINC000006313469 1120313610 /nfs/dbraw/zinc/31/36/10/1120313610.db2.gz AUCZVRNTYUHNQI-UHFFFAOYSA-N -1 0 349.452 3.802 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)cc1 ZINC000185161677 1120402583 /nfs/dbraw/zinc/40/25/83/1120402583.db2.gz VGJWLDUIJXSNSK-UHFFFAOYSA-N -1 0 334.372 3.507 20 0 EHADRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1nc2c(s1)CCCCC2 ZINC000218952669 1120409156 /nfs/dbraw/zinc/40/91/56/1120409156.db2.gz RALQYGOPNFBWJA-UHFFFAOYSA-N -1 0 340.445 3.660 20 0 EHADRM S=c1[n-]c2cc(NCc3ccc(OC4COC4)cc3)ccc2o1 ZINC001168464173 1120473942 /nfs/dbraw/zinc/47/39/42/1120473942.db2.gz UMJRZWXNRSNXBA-UHFFFAOYSA-N -1 0 328.393 3.506 20 0 EHADRM C/C(=C\c1ccccc1)CN(C)C(=O)N=c1[n-]nc(C(C)(C)C)s1 ZINC000494577627 1120604720 /nfs/dbraw/zinc/60/47/20/1120604720.db2.gz JWFQXIYHUYEMKM-ACCUITESSA-N -1 0 344.484 3.825 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(N(C)C)c2C)sc1Cl ZINC000191552769 1120678021 /nfs/dbraw/zinc/67/80/21/1120678021.db2.gz HIRKXAIMPIUWSL-UHFFFAOYSA-N -1 0 344.889 3.885 20 0 EHADRM Cc1cnc([C@@H](C)CNC(=O)c2cc(O)c3ccccc3c2)s1 ZINC000355801175 1128936835 /nfs/dbraw/zinc/93/68/35/1128936835.db2.gz FSBCMJWFQZEPTE-NSHDSACASA-N -1 0 326.421 3.844 20 0 EHADRM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000195438799 1120784205 /nfs/dbraw/zinc/78/42/05/1120784205.db2.gz JPFIMVJQGVUOFM-UHFFFAOYSA-N -1 0 331.315 3.536 20 0 EHADRM Cc1nc(O[C@H](C)c2cccc(F)c2F)c(Br)c(=O)[n-]1 ZINC001234568216 1120877958 /nfs/dbraw/zinc/87/79/58/1120877958.db2.gz LOHKKMFILOXHNN-ZCFIWIBFSA-N -1 0 345.143 3.671 20 0 EHADRM CCCCC[C@H]1CCCN1C(=O)N=c1[n-]nc(C(F)(F)F)s1 ZINC000495122618 1120962112 /nfs/dbraw/zinc/96/21/12/1120962112.db2.gz YIFZHHUTBSGLTP-VIFPVBQESA-N -1 0 336.383 3.555 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CC[C@H](C)[C@@H](C)C3)n2)c1 ZINC000495161296 1120973946 /nfs/dbraw/zinc/97/39/46/1120973946.db2.gz GENIQGIWODIXJM-GJZGRUSLSA-N -1 0 341.455 3.819 20 0 EHADRM [O-]c1c(Cl)cccc1-c1nc(-c2ccccc2-n2cccn2)no1 ZINC000761858425 1120995617 /nfs/dbraw/zinc/99/56/17/1120995617.db2.gz YZJAVBLEJIIFNL-UHFFFAOYSA-N -1 0 338.754 3.948 20 0 EHADRM [O-]c1c(Cl)cccc1-c1nc(-c2ccc(N3CCCC3)cn2)no1 ZINC000762081108 1121097190 /nfs/dbraw/zinc/09/71/90/1121097190.db2.gz NDMLYUJDOZNUDC-UHFFFAOYSA-N -1 0 342.786 3.758 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)c2sccc2-c2ccccc2)C1 ZINC000261677790 1121430974 /nfs/dbraw/zinc/43/09/74/1121430974.db2.gz MJSGDVIZZGNLAE-LJQANCHMSA-N -1 0 343.448 3.988 20 0 EHADRM CC(C)C[C@@H](NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000236577266 1121457715 /nfs/dbraw/zinc/45/77/15/1121457715.db2.gz QXYZDXUDDYBFGE-MBNYWOFBSA-N -1 0 344.238 3.712 20 0 EHADRM CC(C)[C@@H](C)CC(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000236658189 1121460330 /nfs/dbraw/zinc/46/03/30/1121460330.db2.gz NUZHBQUYLUWFAU-KXBFYZLASA-N -1 0 341.451 3.882 20 0 EHADRM CCC(CC)(CNC(=O)CCSc1ccc(C)c(C)c1)C(=O)[O-] ZINC000236835205 1121465708 /nfs/dbraw/zinc/46/57/08/1121465708.db2.gz ZMKGHPRWAJZINU-UHFFFAOYSA-N -1 0 337.485 3.793 20 0 EHADRM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc3[n-]c(=S)oc3c2)cc1 ZINC000762968357 1121619474 /nfs/dbraw/zinc/61/94/74/1121619474.db2.gz WYHJJPSEFGKCOC-NSHDSACASA-N -1 0 328.393 3.831 20 0 EHADRM CCCCCc1nnc([N-]C(=O)c2cc(-c3ccco3)on2)s1 ZINC000054449990 1121765282 /nfs/dbraw/zinc/76/52/82/1121765282.db2.gz BFJUKAPVQQOPKV-UHFFFAOYSA-N -1 0 332.385 3.771 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCc2ccc(Br)cc2)cc1 ZINC000243526456 1121803810 /nfs/dbraw/zinc/80/38/10/1121803810.db2.gz OAUUMWUNLJEQIL-UHFFFAOYSA-N -1 0 348.196 3.719 20 0 EHADRM CCOc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2F)cc1OCC ZINC000326597342 1121970646 /nfs/dbraw/zinc/97/06/46/1121970646.db2.gz HSKFOPQJWCHJNK-UHFFFAOYSA-N -1 0 347.342 3.574 20 0 EHADRM O=C([O-])c1cc(/C=C/c2cnn(-c3ccccc3)n2)nc2ccccc21 ZINC000916549452 1122198062 /nfs/dbraw/zinc/19/80/62/1122198062.db2.gz OQRAFNSGIGQVII-ZHACJKMWSA-N -1 0 342.358 3.684 20 0 EHADRM COc1ccc(CC[C@@H](C)NC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000067593675 1122523455 /nfs/dbraw/zinc/52/34/55/1122523455.db2.gz QEYMRXQFDIEZQJ-GFCCVEGCSA-N -1 0 333.815 3.805 20 0 EHADRM O=C(Nc1ccc(Nc2ccccc2)nc1)c1s[n-]c(=O)c1Cl ZINC000670415819 1122699602 /nfs/dbraw/zinc/69/96/02/1122699602.db2.gz QNNOJUQJQVLJOW-UHFFFAOYSA-N -1 0 346.799 3.893 20 0 EHADRM O=S(=O)([N-]c1ccc(OCC2CC2)cc1)c1cc(F)ccc1F ZINC000497961703 1122713685 /nfs/dbraw/zinc/71/36/85/1122713685.db2.gz WQHVXDSLMSWRSG-UHFFFAOYSA-N -1 0 339.363 3.554 20 0 EHADRM O=C([N-]c1ccccc1SCc1ccccc1)c1cccc[n+]1[O-] ZINC000918215408 1122777493 /nfs/dbraw/zinc/77/74/93/1122777493.db2.gz GIFXZGFVWQCXRE-UHFFFAOYSA-N -1 0 336.416 3.865 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)Nc1n[nH]c(-c2ccco2)n1 ZINC000129835011 1122849834 /nfs/dbraw/zinc/84/98/34/1122849834.db2.gz QMDIYEORIKSSSQ-SNVBAGLBSA-N -1 0 330.775 3.535 20 0 EHADRM CC(C)(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000498497119 1122948771 /nfs/dbraw/zinc/94/87/71/1122948771.db2.gz WRCPFUDSSIOFPK-UHFFFAOYSA-N -1 0 341.379 3.943 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)NC2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000262886866 1123071913 /nfs/dbraw/zinc/07/19/13/1123071913.db2.gz GJOCGLZHOFWXAB-JOCQHMNTSA-N -1 0 335.831 3.726 20 0 EHADRM CC[C@@H](c1ccc(F)cc1F)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000131721844 1123172454 /nfs/dbraw/zinc/17/24/54/1123172454.db2.gz JGBGGDRTMCPITD-AWEZNQCLSA-N -1 0 349.406 3.846 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cc1O)c1ccc(F)cc1Cl ZINC000132456370 1123231261 /nfs/dbraw/zinc/23/12/61/1123231261.db2.gz DBEWPTCNBRYTCV-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM CC(C)(CCC(=O)Nc1n[nH]c(C(F)(F)F)n1)c1ccccc1 ZINC000132583954 1123251566 /nfs/dbraw/zinc/25/15/66/1123251566.db2.gz CIWTVVKZDDHPAY-UHFFFAOYSA-N -1 0 326.322 3.520 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)s1 ZINC000132746969 1123295451 /nfs/dbraw/zinc/29/54/51/1123295451.db2.gz PSOSKKTZIRMMGK-UHFFFAOYSA-N -1 0 334.422 3.766 20 0 EHADRM Cc1cccc(C2(C(=O)N3CC[C@H](C(=O)[O-])[C@H](C)C3)CCCCC2)c1 ZINC000263063842 1123375845 /nfs/dbraw/zinc/37/58/45/1123375845.db2.gz SVGJDGZHYQJJES-AEFFLSMTSA-N -1 0 343.467 3.766 20 0 EHADRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1)C1CC1 ZINC000920788575 1123423525 /nfs/dbraw/zinc/42/35/25/1123423525.db2.gz FLGZAYQHNJGEFR-AWEZNQCLSA-N -1 0 349.496 3.975 20 0 EHADRM O=S(=O)(Nc1ccc2oc(C(F)(F)F)nc2c1)c1ccccc1 ZINC000920926846 1123437631 /nfs/dbraw/zinc/43/76/31/1123437631.db2.gz RFQJTMQRXYKMJN-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@H](C(C)C)CC2)cc(C)c1OCC(=O)[O-] ZINC000236619127 1123439182 /nfs/dbraw/zinc/43/91/82/1123439182.db2.gz NSENDVKKVZWWDI-INIZCTEOSA-N -1 0 347.455 3.665 20 0 EHADRM O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc([O-])c(Cl)c1 ZINC000077283997 1123544539 /nfs/dbraw/zinc/54/45/39/1123544539.db2.gz CFEVARJZHDZWHP-OAHLLOKOSA-N -1 0 347.798 3.856 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)c1 ZINC000238150640 1123566658 /nfs/dbraw/zinc/56/66/58/1123566658.db2.gz DOCNXIWGUMUIMC-QWHCGFSZSA-N -1 0 333.746 3.920 20 0 EHADRM Cc1cc(Br)cc(C(=O)NCc2ccc(O)c(F)c2)c1 ZINC000134979221 1123570921 /nfs/dbraw/zinc/57/09/21/1123570921.db2.gz FONVKVCDQZDCAD-UHFFFAOYSA-N -1 0 338.176 3.532 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cc(Cl)ccc2O)CCCCCC1 ZINC000013469756 1129132635 /nfs/dbraw/zinc/13/26/35/1129132635.db2.gz XMZDUPYVYNXHNM-UHFFFAOYSA-N -1 0 325.792 3.799 20 0 EHADRM CCCCc1ccc(N(C)C(=O)c2n[n-]c3ccccc3c2=O)cc1 ZINC000175455514 1123685782 /nfs/dbraw/zinc/68/57/82/1123685782.db2.gz DVPBWDFZAQAMIN-UHFFFAOYSA-N -1 0 335.407 3.542 20 0 EHADRM O=C([O-])CCCCC(=O)NCc1ccc(OC2CCCCC2)cc1 ZINC000263278869 1123715591 /nfs/dbraw/zinc/71/55/91/1123715591.db2.gz JIKNKXYZPYLQOZ-UHFFFAOYSA-N -1 0 333.428 3.659 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cc(C)ccc2C)cnn1CCC(C)C ZINC000137834754 1123778083 /nfs/dbraw/zinc/77/80/83/1123778083.db2.gz MGYITUGQDFPAQW-UHFFFAOYSA-N -1 0 335.473 3.655 20 0 EHADRM Cc1ccc(CCCCC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000237701327 1123815517 /nfs/dbraw/zinc/81/55/17/1123815517.db2.gz INNBJSHYNALJQJ-GOSISDBHSA-N -1 0 331.456 3.954 20 0 EHADRM Cc1nn(C)c2ncc(NCc3cc(Cl)cc(Cl)c3[O-])cc12 ZINC000237857103 1123883745 /nfs/dbraw/zinc/88/37/45/1123883745.db2.gz FLSYDGFVOYXCPV-UHFFFAOYSA-N -1 0 337.210 3.901 20 0 EHADRM Cc1cc2cc(C(=O)N3CCCC[C@@H]3CCC(=O)[O-])oc2cc1C ZINC000237904626 1123908001 /nfs/dbraw/zinc/90/80/01/1123908001.db2.gz PKWVKCVVHDNEQN-OAHLLOKOSA-N -1 0 329.396 3.909 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1ccccc1CCc1ccccc1 ZINC000238158288 1123995180 /nfs/dbraw/zinc/99/51/80/1123995180.db2.gz NHYAXWPNFVCMQZ-UHFFFAOYSA-N -1 0 339.435 3.847 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)Cc2ccc(OC(F)F)cc2)cc1 ZINC000238149003 1123996939 /nfs/dbraw/zinc/99/69/39/1123996939.db2.gz HVJLDYRNGDABIK-BJMVGYQFSA-N -1 0 347.317 3.567 20 0 EHADRM CCc1ccccc1CC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000263543577 1124054867 /nfs/dbraw/zinc/05/48/67/1124054867.db2.gz SBWRRXIEBNWXBW-CQSZACIVSA-N -1 0 325.408 3.693 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)Cc1ccc(F)cc1Cl ZINC000263548885 1124079716 /nfs/dbraw/zinc/07/97/16/1124079716.db2.gz VLYKOMONIINQQB-UHFFFAOYSA-N -1 0 329.799 3.563 20 0 EHADRM CC(C)c1ccc(OCC(=O)N=c2cc(-c3cccs3)[nH][nH]2)cc1 ZINC000617365305 1124499595 /nfs/dbraw/zinc/49/95/95/1124499595.db2.gz DZOLEJNBFIGVFC-UHFFFAOYSA-N -1 0 341.436 3.701 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N=c2cc(-c3cccs3)[nH][nH]2)o1 ZINC000617365416 1124499955 /nfs/dbraw/zinc/49/99/55/1124499955.db2.gz NPDDZSNZGJUEPR-YPMHNXCESA-N -1 0 341.436 3.848 20 0 EHADRM Cc1nc(-c2cc3c(s2)CC[N@H+](CCCCC(=O)[O-])C3)cs1 ZINC000263569986 1124534005 /nfs/dbraw/zinc/53/40/05/1124534005.db2.gz HVXQFWDRGHARSX-UHFFFAOYSA-N -1 0 336.482 3.793 20 0 EHADRM C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1)C(C)(C)C ZINC000734711775 1131268982 /nfs/dbraw/zinc/26/89/82/1131268982.db2.gz FGZFXDDVJOGMMZ-CQSZACIVSA-N -1 0 345.464 3.841 20 0 EHADRM CC(C)Oc1cccc(Nc2ccc(S(=O)(=O)[O-])cc2)c1F ZINC001212323549 1124656349 /nfs/dbraw/zinc/65/63/49/1124656349.db2.gz MAESZPAQYWBBCJ-UHFFFAOYSA-N -1 0 325.361 3.603 20 0 EHADRM Cc1nc(C(=O)N2C[C@H](C(C)(C)C)c3ccccc32)ccc1C(=O)[O-] ZINC000263583117 1124735844 /nfs/dbraw/zinc/73/58/44/1124735844.db2.gz ZMATVUMTOGBNGM-HNNXBMFYSA-N -1 0 338.407 3.878 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H]1C(=O)Nc1ccccc1OCc1ccccc1 ZINC000381210095 1124769073 /nfs/dbraw/zinc/76/90/73/1124769073.db2.gz UELZIVWYVYCNKV-CVEARBPZSA-N -1 0 339.391 3.705 20 0 EHADRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cnn(CC(C)C)c1 ZINC000181494595 1124887386 /nfs/dbraw/zinc/88/73/86/1124887386.db2.gz OSWGPKCSWLANDY-INIZCTEOSA-N -1 0 348.406 3.534 20 0 EHADRM Cc1cccc(C(=O)[N-]S(=O)(=O)c2cccc3cnccc32)c1C ZINC000069595269 1124921539 /nfs/dbraw/zinc/92/15/39/1124921539.db2.gz HRDOGFNWAVJXOK-UHFFFAOYSA-N -1 0 340.404 3.545 20 0 EHADRM CC(C)n1ncc2cc(NC(=O)c3n[n-]c4ccccc4c3=O)ccc21 ZINC000735331002 1131332383 /nfs/dbraw/zinc/33/23/83/1131332383.db2.gz JTQWGVHWSXIPHD-UHFFFAOYSA-N -1 0 347.378 3.518 20 0 EHADRM CC1(C)C[C@@H](/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C(C)(C)O1 ZINC000182048290 1125137649 /nfs/dbraw/zinc/13/76/49/1125137649.db2.gz YVSVSESFWBKVSN-VQGSWFTOSA-N -1 0 326.780 3.719 20 0 EHADRM CCCC[C@@H](CC)CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000735395935 1131339196 /nfs/dbraw/zinc/33/91/96/1131339196.db2.gz JGDRFJRVIDJVLH-GFCCVEGCSA-N -1 0 331.865 3.751 20 0 EHADRM C[C@H]1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)[C@@H](C(=O)[O-])C1 ZINC000322375956 1125412905 /nfs/dbraw/zinc/41/29/05/1125412905.db2.gz BTEBTIXUZHPCEK-SMDDNHRTSA-N -1 0 334.803 3.680 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC2(c3cccc(Cl)c3)CC2)c(F)c1 ZINC000478844479 1129278074 /nfs/dbraw/zinc/27/80/74/1129278074.db2.gz RTQXIKLHQFVXNF-UHFFFAOYSA-N -1 0 333.746 3.596 20 0 EHADRM Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1cccc(C)c1 ZINC000543163063 1129303054 /nfs/dbraw/zinc/30/30/54/1129303054.db2.gz YFOMRAXSNDEHEM-UHFFFAOYSA-N -1 0 333.457 3.806 20 0 EHADRM CC(C)N(Cc1ccc(F)cc1)C(=O)c1n[n-]c2ccccc2c1=O ZINC000735656932 1131370720 /nfs/dbraw/zinc/37/07/20/1131370720.db2.gz UZKQRNLQXLALGN-UHFFFAOYSA-N -1 0 339.370 3.525 20 0 EHADRM COC(=O)c1cc(NC(=O)c2cc3cc(F)ccc3o2)c(F)cc1F ZINC000117592371 1129454277 /nfs/dbraw/zinc/45/42/77/1129454277.db2.gz PKKVLBUDASAJBD-UHFFFAOYSA-N -1 0 349.264 3.889 20 0 EHADRM CCC[C@]1(C)CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C1 ZINC000499843607 1129534972 /nfs/dbraw/zinc/53/49/72/1129534972.db2.gz XLSQPLHGYAFYPI-LJQANCHMSA-N -1 0 345.418 3.759 20 0 EHADRM CCC(C)(C)NC(=O)[C@@H](OC(=O)c1ccc([O-])c(Cl)c1)C(C)C ZINC000922498630 1129552514 /nfs/dbraw/zinc/55/25/14/1129552514.db2.gz XGJYZMLAUCYFSS-AWEZNQCLSA-N -1 0 341.835 3.532 20 0 EHADRM Cc1ccccc1C1(CNC(=O)c2ccc3[n-]c(=S)oc3c2)CC1 ZINC000735858394 1131386510 /nfs/dbraw/zinc/38/65/10/1131386510.db2.gz XZULJGBVHWDJHX-UHFFFAOYSA-N -1 0 338.432 3.887 20 0 EHADRM Cc1c(C(=O)[O-])cnn1-c1cccc(NC(=O)c2cccc(C)c2C)c1 ZINC000347789085 1129784991 /nfs/dbraw/zinc/78/49/91/1129784991.db2.gz YFUPHXQSMWAKTJ-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1c([O-])cc(F)cc1F ZINC000673756050 1129831822 /nfs/dbraw/zinc/83/18/22/1129831822.db2.gz IVMXHPFLBICALN-OCCSQVGLSA-N -1 0 331.362 3.764 20 0 EHADRM COC(=O)/C(=C\c1cccc(C(=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC000766039092 1129893159 /nfs/dbraw/zinc/89/31/59/1129893159.db2.gz ZSLSMUWFPZIOAX-LCYFTJDESA-N -1 0 345.420 3.852 20 0 EHADRM CCOc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000673897620 1129899387 /nfs/dbraw/zinc/89/93/87/1129899387.db2.gz KDIYYUVNIOJZQW-UHFFFAOYSA-N -1 0 347.223 3.588 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(-c3ccccn3)c[nH]c2=O)c(F)c1F ZINC001212511797 1129914897 /nfs/dbraw/zinc/91/48/97/1129914897.db2.gz GAQMHGQSOQPWDM-UHFFFAOYSA-N -1 0 343.289 3.569 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc3c(c2)NC(=O)CCC3)c(F)c1F ZINC001212514221 1129925491 /nfs/dbraw/zinc/92/54/91/1129925491.db2.gz IJUACRZMDLNUPV-UHFFFAOYSA-N -1 0 332.306 3.681 20 0 EHADRM CC(=O)N1CCCc2ccc(Nc3ccc(C(=O)[O-])c(F)c3F)cc21 ZINC001212514689 1129927121 /nfs/dbraw/zinc/92/71/21/1129927121.db2.gz IDBLTWIIPMSRAH-UHFFFAOYSA-N -1 0 346.333 3.706 20 0 EHADRM CCCOC(=O)c1ccc(Nc2ccc(C(=O)[O-])c(F)c2F)cc1 ZINC001212514639 1129927122 /nfs/dbraw/zinc/92/71/22/1129927122.db2.gz DIFLJGDBPNHNCD-UHFFFAOYSA-N -1 0 335.306 3.973 20 0 EHADRM COCCOc1ccc(Nc2ccc(C(=O)[O-])c(F)c2F)cc1F ZINC001212515031 1129929127 /nfs/dbraw/zinc/92/91/27/1129929127.db2.gz OMKIDTNGIXCTTQ-UHFFFAOYSA-N -1 0 341.285 3.571 20 0 EHADRM O=C(NC1(Cc2ccccc2)CCC1)c1cc(F)c(F)c([O-])c1F ZINC000543581695 1129994245 /nfs/dbraw/zinc/99/42/45/1129994245.db2.gz ACYSMVBUXFYRIW-UHFFFAOYSA-N -1 0 335.325 3.705 20 0 EHADRM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccnn1[C@H](C)C1CC1 ZINC000171342091 1130048147 /nfs/dbraw/zinc/04/81/47/1130048147.db2.gz FIVJXVHTAFEPFW-LLVKDONJSA-N -1 0 339.848 3.617 20 0 EHADRM O=C(CCCc1ccc2c(c1)CC(=O)N2)Nc1cccc(Cl)c1[O-] ZINC000172355323 1130126769 /nfs/dbraw/zinc/12/67/69/1130126769.db2.gz NAQWBTGBWAWKPO-UHFFFAOYSA-N -1 0 344.798 3.502 20 0 EHADRM O=C(NCc1ccc(O)c(F)c1)N[C@@H]1CCc2c1cccc2Cl ZINC000172564700 1130143477 /nfs/dbraw/zinc/14/34/77/1130143477.db2.gz FUWZNVOXTVPLFB-OAHLLOKOSA-N -1 0 334.778 3.671 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2CCc3c2cccc3C)n1 ZINC000674604837 1130144189 /nfs/dbraw/zinc/14/41/89/1130144189.db2.gz URKGBCZCHFUPSD-UHFFFAOYSA-N -1 0 347.418 3.652 20 0 EHADRM CC(C)CC1(CNC(=O)C[C@H](C(=O)[O-])c2ccccc2)CCCC1 ZINC000674767698 1130192723 /nfs/dbraw/zinc/19/27/23/1130192723.db2.gz PLIMRSCGADIQLT-KRWDZBQOSA-N -1 0 331.456 3.968 20 0 EHADRM CCOC(=O)c1cnc(NC(=O)/C=C/[C@]2(C)CC[C@@H](C)C2(C)C)[n-]1 ZINC001128847640 1130206923 /nfs/dbraw/zinc/20/69/23/1130206923.db2.gz UCJCIDZOTCZLIN-AOSQPNEPSA-N -1 0 333.432 3.544 20 0 EHADRM CCC[C@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1ccc(F)cc1F ZINC000675149575 1130264832 /nfs/dbraw/zinc/26/48/32/1130264832.db2.gz OVTZYIBCNJQWDA-WWGRRREGSA-N -1 0 337.366 3.589 20 0 EHADRM CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc(OC)c1 ZINC000675224202 1130287516 /nfs/dbraw/zinc/28/75/16/1130287516.db2.gz ADSGUUMRHGIHFK-UHFFFAOYSA-N -1 0 341.816 3.548 20 0 EHADRM CCc1nc(C)c([C@H](C)N(C)C(=O)c2c([O-])cc(F)cc2F)s1 ZINC000174517917 1130367740 /nfs/dbraw/zinc/36/77/40/1130367740.db2.gz ZKGCVCVELMMYSQ-VIFPVBQESA-N -1 0 340.395 3.831 20 0 EHADRM Cc1ccnc(F)c1Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1 ZINC001212558418 1130383570 /nfs/dbraw/zinc/38/35/70/1130383570.db2.gz JUDWKWIGERIGNY-UHFFFAOYSA-N -1 0 332.356 3.673 20 0 EHADRM COc1ccc(CCCC(=O)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC000675966329 1130511524 /nfs/dbraw/zinc/51/15/24/1130511524.db2.gz LQZMCIRQARQOJM-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM O=C([O-])CN(C(=O)c1cnc(-c2ccccc2)s1)C1CCCCC1 ZINC000675992465 1130513725 /nfs/dbraw/zinc/51/37/25/1130513725.db2.gz FLHVRVQUHFMSIY-UHFFFAOYSA-N -1 0 344.436 3.670 20 0 EHADRM CC(C)(CNC(=O)c1cc(F)cc(Cl)c1[O-])[C@H]1CCCCO1 ZINC000676178135 1130542706 /nfs/dbraw/zinc/54/27/06/1130542706.db2.gz PBKUCAFKXWYNOP-CYBMUJFWSA-N -1 0 329.799 3.510 20 0 EHADRM CC(C)(C(=O)N1CCC[C@H](CC(=O)[O-])C1)c1ccc2ccccc2c1 ZINC000676218059 1130546572 /nfs/dbraw/zinc/54/65/72/1130546572.db2.gz FWAXDSSAUZENIH-OAHLLOKOSA-N -1 0 339.435 3.831 20 0 EHADRM C[C@@H](C(=O)N1CCC[C@H](CC(=O)[O-])C1)c1ccccc1C(F)(F)F ZINC000676217907 1130546799 /nfs/dbraw/zinc/54/67/99/1130546799.db2.gz DUZOETZRSIQMSV-VXGBXAGGSA-N -1 0 343.345 3.522 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)s1 ZINC000029185882 1130646928 /nfs/dbraw/zinc/64/69/28/1130646928.db2.gz DNVKMLDFZRSWIS-UHFFFAOYSA-N -1 0 337.344 3.756 20 0 EHADRM CC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)CCCC1 ZINC000732612939 1130941800 /nfs/dbraw/zinc/94/18/00/1130941800.db2.gz ADXWRSWCVHHHQB-UHFFFAOYSA-N -1 0 343.448 3.739 20 0 EHADRM Cc1ccc(S[C@H](C)C(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1 ZINC000348049825 1131128980 /nfs/dbraw/zinc/12/89/80/1131128980.db2.gz SDPIBYDCAXMFBM-CYBMUJFWSA-N -1 0 345.420 3.578 20 0 EHADRM C/C=C/COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000734043519 1131186451 /nfs/dbraw/zinc/18/64/51/1131186451.db2.gz FBLOWEOVDAXRKB-ONEGZZNKSA-N -1 0 345.420 3.529 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000734079206 1131193799 /nfs/dbraw/zinc/19/37/99/1131193799.db2.gz NMDJIOAZRFZENL-CQSZACIVSA-N -1 0 341.448 3.627 20 0 EHADRM C[C@H]1CN(c2ccc(NC(=O)c3ccc(Cl)cc3[O-])cc2)CCO1 ZINC000736497090 1131423916 /nfs/dbraw/zinc/42/39/16/1131423916.db2.gz XCBDBTKIXXTHLJ-LBPRGKRZSA-N -1 0 346.814 3.523 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000737675547 1131452280 /nfs/dbraw/zinc/45/22/80/1131452280.db2.gz HSOCKFAUBCPQQM-BIRHUZIMSA-N -1 0 327.355 3.741 20 0 EHADRM O=C(Nc1cc(CCc2ccccc2)[nH]n1)c1c([O-])cccc1Cl ZINC000740928788 1131556859 /nfs/dbraw/zinc/55/68/59/1131556859.db2.gz TUMDJYAVYZUDPI-UHFFFAOYSA-N -1 0 341.798 3.806 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H](CC(C)C)c2ccccc2)c1 ZINC000741108734 1131576738 /nfs/dbraw/zinc/57/67/38/1131576738.db2.gz DQZYNDTUIHMODC-SFHVURJKSA-N -1 0 345.464 3.630 20 0 EHADRM CCSCc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2)c1 ZINC000741650864 1131632206 /nfs/dbraw/zinc/63/22/06/1131632206.db2.gz BOGYZPDHMZRUFD-UHFFFAOYSA-N -1 0 342.873 3.789 20 0 EHADRM NC(=S)/C(=C\c1ccc([O-])c(Cl)c1)c1nc2ccccc2[nH]1 ZINC000742575874 1131753676 /nfs/dbraw/zinc/75/36/76/1131753676.db2.gz REWVPJBKZRZHDE-JXMROGBWSA-N -1 0 329.812 3.749 20 0 EHADRM CCCCC[C@@H](C)CC(=O)Nc1cc(S(=O)(=O)CC)ccc1[O-] ZINC000743287048 1131886019 /nfs/dbraw/zinc/88/60/19/1131886019.db2.gz KLQZYCHCOFRZAZ-CYBMUJFWSA-N -1 0 341.473 3.731 20 0 EHADRM CCc1nnc(-c2cccc(NC(=O)c3c([O-])cccc3Cl)c2)o1 ZINC000743816546 1131979913 /nfs/dbraw/zinc/97/99/13/1131979913.db2.gz NDALGOASCVKFKF-UHFFFAOYSA-N -1 0 343.770 3.910 20 0 EHADRM CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000744004146 1132006596 /nfs/dbraw/zinc/00/65/96/1132006596.db2.gz WDHBQROSWHFYIB-AWEZNQCLSA-N -1 0 325.474 3.715 20 0 EHADRM CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000744011187 1132007343 /nfs/dbraw/zinc/00/73/43/1132007343.db2.gz WCWBDROJZWDTCD-LBPRGKRZSA-N -1 0 331.865 3.751 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2cnc3ccccc3c2)c(Cl)c1 ZINC001174003154 1132199514 /nfs/dbraw/zinc/19/95/14/1132199514.db2.gz CLXXJYXUFXOYLC-UHFFFAOYSA-N -1 0 334.784 3.879 20 0 EHADRM COc1ccc(F)c(Nc2cc(Cl)c(C)cc2S(=O)(=O)[O-])c1 ZINC001174208768 1132286513 /nfs/dbraw/zinc/28/65/13/1132286513.db2.gz HMINKRNKSHDWCM-UHFFFAOYSA-N -1 0 345.779 3.786 20 0 EHADRM CC(C)(C)c1nc(C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)cs1 ZINC000737587059 1132326919 /nfs/dbraw/zinc/32/69/19/1132326919.db2.gz ATRCFWRWMVXEHC-TWGQIWQCSA-N -1 0 330.409 3.791 20 0 EHADRM CCOC(=O)c1nnsc1[N-]c1ccc(C(F)(F)F)cc1F ZINC001174400507 1132333172 /nfs/dbraw/zinc/33/31/72/1132333172.db2.gz YARXSZYNZOGPLX-UHFFFAOYSA-N -1 0 335.282 3.616 20 0 EHADRM O=C(N[C@@H]1CCOc2c(F)cccc21)c1ccc2[n-]c(=S)oc2c1 ZINC000746048764 1132353860 /nfs/dbraw/zinc/35/38/60/1132353860.db2.gz MDZXIQHVBSFNKA-GFCCVEGCSA-N -1 0 344.367 3.509 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2cc(F)cnc2Br)c1 ZINC001174494696 1132370903 /nfs/dbraw/zinc/37/09/03/1132370903.db2.gz GQJMVUYJSYEMIO-SNAWJCMRSA-N -1 0 337.148 3.825 20 0 EHADRM CCOC(=O)c1ncc(Nc2cccc(/C=C/C(=O)[O-])c2)cc1Cl ZINC001174495986 1132371740 /nfs/dbraw/zinc/37/17/40/1132371740.db2.gz ZIWZETFNBLVQBO-VOTSOKGWSA-N -1 0 346.770 3.753 20 0 EHADRM COc1cc(Nc2cccc(/C=C/C(=O)[O-])c2)cc(OC)c1OC ZINC001174499260 1132372576 /nfs/dbraw/zinc/37/25/76/1132372576.db2.gz CUQIUQYVVLTBLI-BQYQJAHWSA-N -1 0 329.352 3.554 20 0 EHADRM C[C@@H]1Cc2cc(Nc3cccc(/C=C/C(=O)[O-])c3)ccc2N(C)C1=O ZINC001174499581 1132373704 /nfs/dbraw/zinc/37/37/04/1132373704.db2.gz UDWVTKNWPBMXCN-YSKGHYERSA-N -1 0 336.391 3.683 20 0 EHADRM CCOc1ncccc1Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1 ZINC001174456397 1132375441 /nfs/dbraw/zinc/37/54/41/1132375441.db2.gz FXIMLNLQNCWLPY-UHFFFAOYSA-N -1 0 344.392 3.624 20 0 EHADRM Cc1cccc(OC[C@H](C)NC(=O)c2ccc3[n-]c(=S)oc3c2)c1 ZINC000746155744 1132384913 /nfs/dbraw/zinc/38/49/13/1132384913.db2.gz PZQWLTPFPCCTOM-LBPRGKRZSA-N -1 0 342.420 3.622 20 0 EHADRM COC(=O)c1c(F)cc(Nc2cccc(/C=C/C(=O)[O-])c2)cc1F ZINC001174501101 1132390307 /nfs/dbraw/zinc/39/03/07/1132390307.db2.gz YRKJXXXFGTZXLZ-AATRIKPKSA-N -1 0 333.290 3.593 20 0 EHADRM CC(C)(CNC(=O)c1ccc2[n-]c(=S)oc2c1)c1cccc(F)c1 ZINC000746281187 1132397439 /nfs/dbraw/zinc/39/74/39/1132397439.db2.gz LSQPUHKSCNPCCZ-UHFFFAOYSA-N -1 0 344.411 3.963 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc(OC2CCOCC2)cc1 ZINC001174675512 1132432832 /nfs/dbraw/zinc/43/28/32/1132432832.db2.gz MPYMCJDHUADPFA-UHFFFAOYSA-N -1 0 343.379 3.695 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1c(C)cnn1-c1cccc(F)c1 ZINC001174676207 1132433150 /nfs/dbraw/zinc/43/31/50/1132433150.db2.gz ASVCTANFPKPJRB-UHFFFAOYSA-N -1 0 341.342 3.770 20 0 EHADRM COc1ccc(Nc2ccc(C(F)(F)F)cc2)c(S(=O)(=O)[O-])c1 ZINC001174774211 1132461401 /nfs/dbraw/zinc/46/14/01/1132461401.db2.gz GIKRMRBOQYTOTH-UHFFFAOYSA-N -1 0 347.314 3.704 20 0 EHADRM COc1cc(SC)ccc1NC(=O)c1c([O-])cc(F)cc1F ZINC000193251606 1132479298 /nfs/dbraw/zinc/47/92/98/1132479298.db2.gz XGHDVYFQIWZXRF-UHFFFAOYSA-N -1 0 325.336 3.653 20 0 EHADRM COc1cccc(Nc2ccc(C(=O)[O-])s2)c1Br ZINC001174810402 1132480089 /nfs/dbraw/zinc/48/00/89/1132480089.db2.gz MIHUDIBKAXHUFQ-UHFFFAOYSA-N -1 0 328.187 3.961 20 0 EHADRM Cc1cc(N)c(Nc2ccc(C(=O)[O-])s2)cc1Br ZINC001174809379 1132480101 /nfs/dbraw/zinc/48/01/01/1132480101.db2.gz FZFYOYRDFHHHKM-UHFFFAOYSA-N -1 0 327.203 3.843 20 0 EHADRM COC(=O)c1ccc(Nc2ccc(C(=O)[O-])s2)cc1C(F)(F)F ZINC001174813343 1132481168 /nfs/dbraw/zinc/48/11/68/1132481168.db2.gz XXJVXULPVMRXBD-UHFFFAOYSA-N -1 0 345.298 3.995 20 0 EHADRM CC[C@@](C)([N-]S(=O)(=O)/C=C/c1ccccc1Cl)C(F)(F)F ZINC000746400233 1132510595 /nfs/dbraw/zinc/51/05/95/1132510595.db2.gz CTOBQGXCGUZJOT-IDVQTMNDSA-N -1 0 341.782 3.961 20 0 EHADRM Cc1ccc(CCC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1Cl ZINC000390575596 1132515958 /nfs/dbraw/zinc/51/59/58/1132515958.db2.gz CZCPBGXVEOXCLM-HNNXBMFYSA-N -1 0 337.847 3.827 20 0 EHADRM COC(=O)c1oc2cccc(F)c2c1Nc1ccc(CC(=O)[O-])cc1 ZINC001174951838 1132516223 /nfs/dbraw/zinc/51/62/23/1132516223.db2.gz PASYCTLFNVSIJQ-UHFFFAOYSA-N -1 0 343.310 3.729 20 0 EHADRM Cc1ccc(NC(=O)N2CCCCC[C@H]2C(=O)[O-])cc1C(F)(F)F ZINC000392539199 1132521144 /nfs/dbraw/zinc/52/11/44/1132521144.db2.gz YAFLUNROORTQGY-ZDUSSCGKSA-N -1 0 344.333 3.875 20 0 EHADRM COc1cc(F)cc(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)c1 ZINC001175008737 1132528647 /nfs/dbraw/zinc/52/86/47/1132528647.db2.gz AISIQHYRFCGHIO-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 ZINC001174981060 1132533905 /nfs/dbraw/zinc/53/39/05/1132533905.db2.gz CBVGANHCDDIFQD-SECBINFHSA-N -1 0 344.436 3.722 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1ncnc2c1cnn2-c1ccccc1 ZINC001174981945 1132534304 /nfs/dbraw/zinc/53/43/04/1132534304.db2.gz RSTRMIBEIVBEAT-UHFFFAOYSA-N -1 0 345.362 3.566 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1cn2c(cccc2Br)n1 ZINC001174981674 1132534355 /nfs/dbraw/zinc/53/43/55/1132534355.db2.gz FRVGIMFPSZVDTJ-UHFFFAOYSA-N -1 0 346.184 3.847 20 0 EHADRM CCCCc1ccc(Nc2ccc(C(=O)NCC(=O)[O-])cc2)cc1 ZINC001175030792 1132542685 /nfs/dbraw/zinc/54/26/85/1132542685.db2.gz IMOKKGWJBLXENH-UHFFFAOYSA-N -1 0 326.396 3.587 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2ccc(F)cc2C(F)(F)F)cc1 ZINC001175103585 1132554984 /nfs/dbraw/zinc/55/49/84/1132554984.db2.gz VUKHKYMGDJCQPM-UHFFFAOYSA-N -1 0 335.278 3.835 20 0 EHADRM Cc1ccc(Br)c(Nc2ccc(C(=O)[O-])c(F)c2)n1 ZINC001175154325 1132569001 /nfs/dbraw/zinc/56/90/01/1132569001.db2.gz JQCHVMVFROWTGS-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM COc1cc(Nc2ccc(C(=O)[O-])c(F)c2)ccc1N1CCCC1 ZINC001175159629 1132570615 /nfs/dbraw/zinc/57/06/15/1132570615.db2.gz BHTSZPONWQKHTA-UHFFFAOYSA-N -1 0 330.359 3.876 20 0 EHADRM Nc1cn(-c2ccc(C(=O)[O-])c(F)c2)c2ccc(Br)cc12 ZINC001175158451 1132570863 /nfs/dbraw/zinc/57/08/63/1132570863.db2.gz OAMPUGCUWHODQN-UHFFFAOYSA-N -1 0 349.159 3.813 20 0 EHADRM Cc1cc(Nc2ccc(C(=O)[O-])c(F)c2)n(-c2ccccc2F)n1 ZINC001175159984 1132571896 /nfs/dbraw/zinc/57/18/96/1132571896.db2.gz CHSMVUYOFDIJNW-UHFFFAOYSA-N -1 0 329.306 3.901 20 0 EHADRM CCOC(=O)Cc1ccc(F)c(Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001175162382 1132585670 /nfs/dbraw/zinc/58/56/70/1132585670.db2.gz WWPQWHMLPMHYFB-UHFFFAOYSA-N -1 0 335.306 3.512 20 0 EHADRM Cc1cc(Nc2ccc(F)c(C(=O)[O-])c2)n(-c2cccc(F)c2)n1 ZINC001175217160 1132598067 /nfs/dbraw/zinc/59/80/67/1132598067.db2.gz PFSBCTQDDXNLLX-UHFFFAOYSA-N -1 0 329.306 3.901 20 0 EHADRM COC(=O)CCCc1ccc(Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001175223783 1132600060 /nfs/dbraw/zinc/60/00/60/1132600060.db2.gz VWHDUOKHOMXYQJ-UHFFFAOYSA-N -1 0 331.343 3.763 20 0 EHADRM Cc1cnn(C2CCOCC2)c1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175315765 1132636269 /nfs/dbraw/zinc/63/62/69/1132636269.db2.gz KUUKFODLWVTCHC-UHFFFAOYSA-N -1 0 335.791 3.638 20 0 EHADRM COCCNc1cccc(F)c1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175319885 1132637899 /nfs/dbraw/zinc/63/78/99/1132637899.db2.gz FKUTWAMYTLYTPX-UHFFFAOYSA-N -1 0 338.766 3.979 20 0 EHADRM COc1cc(Nc2ccc(C(=O)[O-])c(Cl)c2)cc(OC)c1OC ZINC001175319955 1132637996 /nfs/dbraw/zinc/63/79/96/1132637996.db2.gz KHGDEFMXFDLREH-UHFFFAOYSA-N -1 0 337.759 3.808 20 0 EHADRM COc1ccccc1Cn1nc(C)cc1Nc1cccc(C(=O)[O-])c1 ZINC001175328790 1132639994 /nfs/dbraw/zinc/63/99/94/1132639994.db2.gz PREHIKKWXHAFPS-UHFFFAOYSA-N -1 0 337.379 3.690 20 0 EHADRM O=C([O-])c1cccc(Nc2cc(F)ccc2OC[C@H]2CCCO2)c1 ZINC001175328729 1132640087 /nfs/dbraw/zinc/64/00/87/1132640087.db2.gz BOLRXJRWUHVFPQ-OAHLLOKOSA-N -1 0 331.343 3.825 20 0 EHADRM O=C([O-])c1cncc(Nc2cc(OC(F)(F)F)c(F)cc2F)c1 ZINC001175843776 1132773589 /nfs/dbraw/zinc/77/35/89/1132773589.db2.gz VMCKXKCUICYMPJ-UHFFFAOYSA-N -1 0 334.200 3.700 20 0 EHADRM O=C([O-])c1cncc(Nc2cccc3cncc(Br)c32)c1 ZINC001175844102 1132774334 /nfs/dbraw/zinc/77/43/34/1132774334.db2.gz ZSAZHTQICFRSSO-UHFFFAOYSA-N -1 0 344.168 3.834 20 0 EHADRM Cc1ccc(S(=O)(=O)N2CCCC2)cc1Nc1ccccc1[S-] ZINC001176008879 1132817969 /nfs/dbraw/zinc/81/79/69/1132817969.db2.gz KVBGUROKQGDZOS-UHFFFAOYSA-N -1 0 348.493 3.812 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2ccc(-c3ccccn3)cc2)cc1 ZINC001176038957 1132826558 /nfs/dbraw/zinc/82/65/58/1132826558.db2.gz AMFOSPZRZSFAIG-UHFFFAOYSA-N -1 0 326.377 3.739 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)C1(c2ccc(F)cc2)CCC1 ZINC000766843397 1132867910 /nfs/dbraw/zinc/86/79/10/1132867910.db2.gz IGUJIUKNGYIKJZ-UHFFFAOYSA-N -1 0 339.366 3.535 20 0 EHADRM COc1ccccc1Oc1ccc(Nc2cnn(CC(=O)[O-])c2)cc1 ZINC001176266924 1132898387 /nfs/dbraw/zinc/89/83/87/1132898387.db2.gz KRAQROWNZOOWQG-UHFFFAOYSA-N -1 0 339.351 3.512 20 0 EHADRM Cc1c(C(F)(F)F)ccc(Cl)c1Nc1cnn(CC(=O)[O-])c1 ZINC001176273278 1132900030 /nfs/dbraw/zinc/90/00/30/1132900030.db2.gz WUNPOBUPVKTFJZ-UHFFFAOYSA-N -1 0 333.697 3.692 20 0 EHADRM O=C([O-])c1cc(Nc2cccc(F)c2OC[C@@H]2CCCO2)cs1 ZINC001176440018 1132929828 /nfs/dbraw/zinc/92/98/28/1132929828.db2.gz COMPWTJUIJYETM-NSHDSACASA-N -1 0 337.372 3.887 20 0 EHADRM Cc1cc(/C=C\C(=O)N[C@H](C)CC(=O)[O-])c(C)n1C1CCCCC1 ZINC000767086267 1132946947 /nfs/dbraw/zinc/94/69/47/1132946947.db2.gz QMOFHWJASSOAED-ASCRHOAZSA-N -1 0 332.444 3.603 20 0 EHADRM CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000767094080 1132949002 /nfs/dbraw/zinc/94/90/02/1132949002.db2.gz ZQJZYAYBFIFAQT-CKDIWJPDSA-N -1 0 343.354 3.720 20 0 EHADRM Cc1nc(Cl)nc(Cl)c1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176582471 1132959475 /nfs/dbraw/zinc/95/94/75/1132959475.db2.gz YPBJDWFRQDEMHL-UHFFFAOYSA-N -1 0 338.194 3.952 20 0 EHADRM C[C@@H](NC(=O)c1cc2ccccc2cc1O)[C@H](O)c1ccc(F)cc1 ZINC000767157580 1132961022 /nfs/dbraw/zinc/96/10/22/1132961022.db2.gz NLCXXRCGAPFOQJ-BLVKFPJESA-N -1 0 339.366 3.536 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3ccc(C(=O)CCCO)cc3)cc2)CC1 ZINC001176587808 1132961765 /nfs/dbraw/zinc/96/17/65/1132961765.db2.gz CIQMWEQKWMUIQL-UHFFFAOYSA-N -1 0 339.391 3.502 20 0 EHADRM CNC(=O)c1ccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cc1Cl ZINC001176588416 1132961954 /nfs/dbraw/zinc/96/19/54/1132961954.db2.gz LESLNFCZPOMDLH-UHFFFAOYSA-N -1 0 344.798 3.559 20 0 EHADRM Cc1ncc(Br)cc1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176590499 1132962302 /nfs/dbraw/zinc/96/23/02/1132962302.db2.gz ZAJGLSWCBCHUTO-QPJJXVBHSA-N -1 0 333.185 3.994 20 0 EHADRM COc1ccccc1[C@@H]1C[C@@H]1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000767185540 1132962943 /nfs/dbraw/zinc/96/29/43/1132962943.db2.gz CJGDJFKWFLHIRZ-GJZGRUSLSA-N -1 0 345.782 3.789 20 0 EHADRM COc1cc(Nc2ccc(/C=C/C(=O)[O-])cc2)cc(OC)c1OC ZINC001176595152 1132963488 /nfs/dbraw/zinc/96/34/88/1132963488.db2.gz CSCHDJOPHXEBQI-RMKNXTFCSA-N -1 0 329.352 3.554 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2ccc(F)cc2N2CCOCC2)cc1 ZINC001176596701 1132964615 /nfs/dbraw/zinc/96/46/15/1132964615.db2.gz JDCODHAZNMZVPV-FPYGCLRLSA-N -1 0 342.370 3.504 20 0 EHADRM O=S(=O)([O-])c1cccc(Nc2ccc(-c3ccncc3)cc2)c1 ZINC001176697569 1132984359 /nfs/dbraw/zinc/98/43/59/1132984359.db2.gz KKEKZBFIGGPBMQ-UHFFFAOYSA-N -1 0 326.377 3.739 20 0 EHADRM CCOC(=O)c1sc2ncccc2c1Nc1ccc(C(=O)[O-])cc1 ZINC001176711632 1132995289 /nfs/dbraw/zinc/99/52/89/1132995289.db2.gz QFXUZXQWIDSFKF-UHFFFAOYSA-N -1 0 342.376 3.915 20 0 EHADRM CCOC(=O)C(C)(C)Oc1ccc(Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001176713864 1132995790 /nfs/dbraw/zinc/99/57/90/1132995790.db2.gz UKVMHOJWLIHVSP-UHFFFAOYSA-N -1 0 343.379 3.849 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000767571927 1133020654 /nfs/dbraw/zinc/02/06/54/1133020654.db2.gz SQIDTHHXTRGDCD-YPMHNXCESA-N -1 0 343.876 3.670 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)CCCC(C)(C)C ZINC000767569258 1133020934 /nfs/dbraw/zinc/02/09/34/1133020934.db2.gz YSLLKKZRDIXQGK-UHFFFAOYSA-N -1 0 331.865 3.670 20 0 EHADRM CC(C)(C)[C@H]1CC[C@@H](NC(=O)CSc2n[n-]c(=S)s2)CC1 ZINC001177346755 1133059070 /nfs/dbraw/zinc/05/90/70/1133059070.db2.gz DHUIDAMXQFPJQM-AOOOYVTPSA-N -1 0 345.559 3.640 20 0 EHADRM CC(=O)OCCCc1cccc(NC(=O)c2c([O-])cccc2Cl)c1 ZINC000768431506 1133137805 /nfs/dbraw/zinc/13/78/05/1133137805.db2.gz MTGXUWNPYRRYNR-UHFFFAOYSA-N -1 0 347.798 3.794 20 0 EHADRM Cn1c(NC(=O)c2c([O-])cccc2Cl)nc2cccc(Cl)c21 ZINC000768735994 1133176116 /nfs/dbraw/zinc/17/61/16/1133176116.db2.gz RGTKMQRYGUAUSZ-UHFFFAOYSA-N -1 0 336.178 3.838 20 0 EHADRM CC(C)c1ccc(C2(C(=O)N[C@@H](C)c3nn(C)cc3[O-])CCC2)cc1 ZINC001179921808 1133307615 /nfs/dbraw/zinc/30/76/15/1133307615.db2.gz XPYBJNFCOHABCO-AWEZNQCLSA-N -1 0 341.455 3.548 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(F)cn2)c(O)c1 ZINC000769705594 1133332871 /nfs/dbraw/zinc/33/28/71/1133332871.db2.gz LBZNWTHGHJNCLN-UHFFFAOYSA-N -1 0 347.346 3.526 20 0 EHADRM O=C(COc1c(F)c(F)c(F)c(F)c1F)Nc1ccccc1[S-] ZINC001180157835 1133340758 /nfs/dbraw/zinc/34/07/58/1133340758.db2.gz LTVBXAGPMCLWTN-UHFFFAOYSA-N -1 0 349.280 3.688 20 0 EHADRM CCn1nc(/C=C/c2ncc(/C=C/C(=O)[O-])s2)c2ccccc21 ZINC000769740472 1133340943 /nfs/dbraw/zinc/34/09/43/1133340943.db2.gz FPKDXFAKTQGOAU-DGLUDJRXSA-N -1 0 325.393 3.781 20 0 EHADRM Cc1nc2cc(Cl)c(NC(=O)C3(C(=O)[O-])CCCCC3)cc2o1 ZINC001180436269 1133369908 /nfs/dbraw/zinc/36/99/08/1133369908.db2.gz CFAAZNCMFIPDOE-UHFFFAOYSA-N -1 0 336.775 3.763 20 0 EHADRM [O-]c1c(Cl)cccc1-c1nc(-c2ccc(-c3nnco3)cc2)no1 ZINC000771248562 1133526846 /nfs/dbraw/zinc/52/68/46/1133526846.db2.gz ZBCRNBKWWQAGNX-UHFFFAOYSA-N -1 0 340.726 3.813 20 0 EHADRM CC[C@@H](CC(C)C)C(=O)Nc1c(C)cc(C)cc1S(=O)(=O)[O-] ZINC001181832106 1133538525 /nfs/dbraw/zinc/53/85/25/1133538525.db2.gz NPBMGJRPRIPSJX-ZDUSSCGKSA-N -1 0 327.446 3.561 20 0 EHADRM Cc1ccc(-c2[nH]nc(NC(=O)c3c([O-])cccc3Cl)c2C)o1 ZINC000774042625 1133599834 /nfs/dbraw/zinc/59/98/34/1133599834.db2.gz HCTHDHKALAEQCD-UHFFFAOYSA-N -1 0 331.759 3.898 20 0 EHADRM COC(=O)Nc1ccc(NC(=O)c2cc(F)c([O-])c(Cl)c2)cc1 ZINC000772120742 1133644016 /nfs/dbraw/zinc/64/40/16/1133644016.db2.gz GFDOSVVRAPWOGI-UHFFFAOYSA-N -1 0 338.722 3.615 20 0 EHADRM CC(C)O[C@@H]1C[C@H](NC(=O)c2cc(F)cc(Cl)c2[O-])C1(C)C ZINC001183143331 1133770689 /nfs/dbraw/zinc/77/06/89/1133770689.db2.gz PNAAEHCMBQFTMT-QWHCGFSZSA-N -1 0 329.799 3.507 20 0 EHADRM Cc1cnn(-c2ccc(C)cc2)c1NC(=O)Cc1ccc([S-])cc1 ZINC001183186077 1133776401 /nfs/dbraw/zinc/77/64/01/1133776401.db2.gz BDMLOEPZQRCLOI-UHFFFAOYSA-N -1 0 337.448 3.959 20 0 EHADRM CC(C)[C@H]([N-]C(=O)C(F)(F)OCC(F)(F)F)c1ccc(F)cc1 ZINC001183194003 1133777512 /nfs/dbraw/zinc/77/75/12/1133777512.db2.gz DPALLRYUVQWUPL-NSHDSACASA-N -1 0 343.267 3.811 20 0 EHADRM C[C@H]1CC[C@H](CNC(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC001183348910 1133797744 /nfs/dbraw/zinc/79/77/44/1133797744.db2.gz FEDNCXZSRDDSKG-IUCAKERBSA-N -1 0 346.652 3.974 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]C(=O)CC/C=C\c1ccccc1 ZINC000786644374 1133885381 /nfs/dbraw/zinc/88/53/81/1133885381.db2.gz ANAKIVPTUVMWNT-SDQBBNPISA-N -1 0 343.448 3.548 20 0 EHADRM C[C@@H]1CCC[C@@H](C(=O)Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)C1 ZINC001184509071 1133954522 /nfs/dbraw/zinc/95/45/22/1133954522.db2.gz JBTWBJFSOHSRRG-TZMCWYRMSA-N -1 0 347.436 3.851 20 0 EHADRM C[C@@H](c1ccc(F)cc1)N(C)S(=O)(=O)c1cccc(Cl)c1[O-] ZINC001184937224 1134001777 /nfs/dbraw/zinc/00/17/77/1134001777.db2.gz KNKJVCRLAVCYQN-JTQLQIEISA-N -1 0 343.807 3.566 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cccnc2Cl)c2ccccc12 ZINC001184878498 1134002425 /nfs/dbraw/zinc/00/24/25/1134002425.db2.gz NTNCLKLWMWXNNQ-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM C[C@H]1C[C@@H]1c1ncc(C(=O)Nc2ccc3[n-]c(=S)sc3c2)cn1 ZINC001185139417 1134034809 /nfs/dbraw/zinc/03/48/09/1134034809.db2.gz GUDOMCHZAKGSAX-KWQFWETISA-N -1 0 342.449 3.751 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)s1)c1ccc(-c2cnco2)cc1 ZINC001185195506 1134055543 /nfs/dbraw/zinc/05/55/43/1134055543.db2.gz IGJAPEYYWIVLCC-UHFFFAOYSA-N -1 0 340.813 3.857 20 0 EHADRM O=C([N-]OC1CCOCC1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000772712510 1134073365 /nfs/dbraw/zinc/07/33/65/1134073365.db2.gz ZSNYEALJTYCBAG-GOSISDBHSA-N -1 0 343.448 3.747 20 0 EHADRM O=C(C=C([O-])c1ccccc1Cl)NCCc1cc(F)cc(F)c1 ZINC001185444517 1134087354 /nfs/dbraw/zinc/08/73/54/1134087354.db2.gz XBZFRIHLFJTAFS-UHFFFAOYSA-N -1 0 337.753 3.550 20 0 EHADRM CCCn1ccc(CNC(=O)c2c([O-])cc(Cl)cc2Cl)c1 ZINC000788171935 1134092053 /nfs/dbraw/zinc/09/20/53/1134092053.db2.gz QQNZWKCNSHSXBR-UHFFFAOYSA-N -1 0 327.211 3.841 20 0 EHADRM O=S(=O)([N-]c1cc(F)c(F)cc1O)c1cc2ccccc2s1 ZINC001185463353 1134093360 /nfs/dbraw/zinc/09/33/60/1134093360.db2.gz WYPMVNIOCYOJGH-UHFFFAOYSA-N -1 0 341.360 3.686 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000788323365 1134113762 /nfs/dbraw/zinc/11/37/62/1134113762.db2.gz VFOLKPXRPGOOPA-LBPRGKRZSA-N -1 0 332.322 3.668 20 0 EHADRM CC(C)(C)c1nc2ccc(NC(=O)c3cccc([S-])c3)cn2n1 ZINC001186130326 1134172193 /nfs/dbraw/zinc/17/21/93/1134172193.db2.gz NQIHFNJRRNSVNX-UHFFFAOYSA-N -1 0 326.425 3.568 20 0 EHADRM Cc1cccc(C2CC2)c1NS(=O)(=O)c1ccc2nsnc2c1 ZINC001186271812 1134191144 /nfs/dbraw/zinc/19/11/44/1134191144.db2.gz YWSAAWATOBPMOL-UHFFFAOYSA-N -1 0 345.449 3.678 20 0 EHADRM O=C(Nc1cc(=O)[n-]c(Cl)n1)c1ccc(Cc2ccccc2)cc1 ZINC001186534690 1134230552 /nfs/dbraw/zinc/23/05/52/1134230552.db2.gz NGWUYFXFKHQVRP-UHFFFAOYSA-N -1 0 339.782 3.679 20 0 EHADRM O=C(Nc1ccccc1[S-])c1ccc(C(=O)C(F)(F)F)cc1 ZINC001186572747 1134232968 /nfs/dbraw/zinc/23/29/68/1134232968.db2.gz ALSFQNRKSITOTB-UHFFFAOYSA-N -1 0 325.311 3.973 20 0 EHADRM COc1ccc2ncc(NC(=O)c3cc(F)c(F)c([O-])c3F)cc2c1 ZINC001186770550 1134255903 /nfs/dbraw/zinc/25/59/03/1134255903.db2.gz KBYMDGKDDRDLJJ-UHFFFAOYSA-N -1 0 348.280 3.619 20 0 EHADRM O=S(=O)([N-]c1cccc(F)c1OC1CCCC1)c1ccco1 ZINC001186863733 1134270165 /nfs/dbraw/zinc/27/01/65/1134270165.db2.gz UFHSLKPULNTCQT-UHFFFAOYSA-N -1 0 325.361 3.541 20 0 EHADRM CC1(C)CCCC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000789451790 1134276820 /nfs/dbraw/zinc/27/68/20/1134276820.db2.gz SSZHSJRGOWVNKJ-CYBMUJFWSA-N -1 0 343.876 3.502 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])c1ccc(NC(=O)NCCC(F)(F)F)cc1 ZINC001187014390 1134282023 /nfs/dbraw/zinc/28/20/23/1134282023.db2.gz VIEPVUAHAGACCH-LBPRGKRZSA-N -1 0 346.349 3.975 20 0 EHADRM O=C([O-])c1cc(NC/C=C/c2ccc(F)cc2F)cc2c1OCCO2 ZINC000789904588 1134347963 /nfs/dbraw/zinc/34/79/63/1134347963.db2.gz YPJWWWLOVNWHKQ-OWOJBTEDSA-N -1 0 347.317 3.560 20 0 EHADRM CC(=O)c1ccccc1[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000790045445 1134359598 /nfs/dbraw/zinc/35/95/98/1134359598.db2.gz OZISSCNXWBRCFC-UHFFFAOYSA-N -1 0 345.754 3.622 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1Cl)c1nccs1 ZINC001187895350 1134393452 /nfs/dbraw/zinc/39/34/52/1134393452.db2.gz ZYAAUXVDEKQCQJ-UHFFFAOYSA-N -1 0 343.644 3.904 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)cs1)c1ccc(Cl)nc1Cl ZINC001187933900 1134402014 /nfs/dbraw/zinc/40/20/14/1134402014.db2.gz PDQDYZYFMNZQCO-UHFFFAOYSA-N -1 0 343.644 3.904 20 0 EHADRM O=C(NCc1ccco1)Nc1cc(Br)cc(Cl)c1[O-] ZINC001188177450 1134436705 /nfs/dbraw/zinc/43/67/05/1134436705.db2.gz PZMWSDQOGALBMQ-UHFFFAOYSA-N -1 0 345.580 3.723 20 0 EHADRM O=S(=O)(c1cc([O-])cc(F)c1)N1CCC[C@H]1CCC1CCCC1 ZINC001188195023 1134438839 /nfs/dbraw/zinc/43/88/39/1134438839.db2.gz OTUNLLHBSIUSMS-HNNXBMFYSA-N -1 0 341.448 3.655 20 0 EHADRM Cc1conc1[N-]S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1 ZINC001188424768 1134461618 /nfs/dbraw/zinc/46/16/18/1134461618.db2.gz ZISMGEUENBBSCF-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM O=C(Nc1ccc2nc(C(F)(F)F)ccc2c1)c1ccncc1[O-] ZINC001188637424 1134492294 /nfs/dbraw/zinc/49/22/94/1134492294.db2.gz ZFJBSLVDVZJBLQ-UHFFFAOYSA-N -1 0 333.269 3.607 20 0 EHADRM O=S(=O)([N-]c1cnsc1)c1ccc2oc3ccccc3c2c1 ZINC001188809946 1134511419 /nfs/dbraw/zinc/51/14/19/1134511419.db2.gz ULJYHQFLYBZHEK-UHFFFAOYSA-N -1 0 330.390 3.843 20 0 EHADRM CC(=O)c1ccsc1[N-]S(=O)(=O)CCc1ccc(Cl)cc1 ZINC001189073045 1134542057 /nfs/dbraw/zinc/54/20/57/1134542057.db2.gz KKFQVNLNVOXPKJ-UHFFFAOYSA-N -1 0 343.857 3.589 20 0 EHADRM C[C@H](NC(=O)c1cc2sccc2c(O)c1)[C@H](O)c1ccc(F)cc1 ZINC000791389240 1134542345 /nfs/dbraw/zinc/54/23/45/1134542345.db2.gz YPRMBUUYQDVULZ-BTDLBPIBSA-N -1 0 345.395 3.598 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc(CO)c(F)c1 ZINC000791392331 1134543209 /nfs/dbraw/zinc/54/32/09/1134543209.db2.gz MZOQHOGMFHDXIU-UHFFFAOYSA-N -1 0 330.142 3.583 20 0 EHADRM O=S(=O)(Cc1ccc(F)c(F)c1)Nc1cc(F)cc(Cl)c1 ZINC001189311383 1134568177 /nfs/dbraw/zinc/56/81/77/1134568177.db2.gz SEDWIAFAWIXIDU-UHFFFAOYSA-N -1 0 335.734 3.699 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)C[C@@H](C)C2CCCCC2)sc1C ZINC000775289288 1134614255 /nfs/dbraw/zinc/61/42/55/1134614255.db2.gz MCXVCBRUKWSCAP-GFCCVEGCSA-N -1 0 343.514 3.776 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(Br)ncc2F)c(F)c1 ZINC001203286270 1134631964 /nfs/dbraw/zinc/63/19/64/1134631964.db2.gz CDNBMCXUYNGFLZ-UHFFFAOYSA-N -1 0 329.100 3.564 20 0 EHADRM CCCCCC(C)(C)C(=O)[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000791957824 1134638475 /nfs/dbraw/zinc/63/84/75/1134638475.db2.gz NXTBBBKKRHTQOL-UHFFFAOYSA-N -1 0 348.468 3.646 20 0 EHADRM O=C(c1cc(Br)ccc1[S-])N1CCC2(CCC2)C1 ZINC001189949948 1134640681 /nfs/dbraw/zinc/64/06/81/1134640681.db2.gz BYONICRSMMWNCX-UHFFFAOYSA-N -1 0 326.259 3.754 20 0 EHADRM C[C@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1ccc(Cl)cn1 ZINC000792449899 1134687551 /nfs/dbraw/zinc/68/75/51/1134687551.db2.gz YTBVWKHZYXATIJ-QMMMGPOBSA-N -1 0 346.711 3.982 20 0 EHADRM O=C(Nc1c(Cl)ccc([O-])c1Cl)c1ccccc1-n1ccnn1 ZINC001190397557 1134690924 /nfs/dbraw/zinc/69/09/24/1134690924.db2.gz WKSMSAUACRBSJL-UHFFFAOYSA-N -1 0 349.177 3.532 20 0 EHADRM O=S(=O)(Nc1ccc2c(c1)[C@H](O)CCC2)c1ccc(C2CC2)cc1 ZINC001190506087 1134707761 /nfs/dbraw/zinc/70/77/61/1134707761.db2.gz GWJZOKDWOKYPRQ-LJQANCHMSA-N -1 0 343.448 3.735 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)Nc2ccccc2[S-])c1 ZINC001191184665 1134822287 /nfs/dbraw/zinc/82/22/87/1134822287.db2.gz AJPMPQFRCJJBGR-UHFFFAOYSA-N -1 0 330.434 3.633 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(O)cc(Cl)c2)c1 ZINC001191193210 1134823506 /nfs/dbraw/zinc/82/35/06/1134823506.db2.gz WAUCHKPKDGJHHA-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(C)cc(F)c1 ZINC000758043797 1134838162 /nfs/dbraw/zinc/83/81/62/1134838162.db2.gz WGTOFMDSHIJCGN-ZDUSSCGKSA-N -1 0 329.437 3.546 20 0 EHADRM Cc1c(Cl)cc(NC(=O)c2cc(Cl)ncn2)c([O-])c1Cl ZINC001191454435 1134862015 /nfs/dbraw/zinc/86/20/15/1134862015.db2.gz UXEFSDRFIQBVIA-UHFFFAOYSA-N -1 0 332.574 3.703 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(C)cc1OC ZINC001191821566 1134930797 /nfs/dbraw/zinc/93/07/97/1134930797.db2.gz LXVDRWFBZXSHCL-UHFFFAOYSA-N -1 0 335.425 3.512 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)CC2CCCC2)cc1Cl ZINC000747129778 1134947626 /nfs/dbraw/zinc/94/76/26/1134947626.db2.gz ZHIJJOTUJIPVIV-GFCCVEGCSA-N -1 0 343.876 3.670 20 0 EHADRM O=C(NCc1cc(=O)[n-]o1)Nc1c(Cl)cc(Cl)cc1Cl ZINC001192051665 1134961861 /nfs/dbraw/zinc/96/18/61/1134961861.db2.gz BYXOLBJXHOGKHN-UHFFFAOYSA-N -1 0 336.562 3.662 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(-c3ccc(C)cc3)cc2)ncn1C ZINC001192065468 1134964069 /nfs/dbraw/zinc/96/40/69/1134964069.db2.gz LZIJAYQCBAJSCO-UHFFFAOYSA-N -1 0 341.436 3.505 20 0 EHADRM Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3ncccc3O)cc2)cc1 ZINC001192064564 1134964117 /nfs/dbraw/zinc/96/41/17/1134964117.db2.gz VPFPLPWMDJHWCJ-UHFFFAOYSA-N -1 0 340.404 3.563 20 0 EHADRM O=C(Nc1ccc(OC(F)F)cc1)Nc1ccc(F)c(F)c1[O-] ZINC001192185182 1134975702 /nfs/dbraw/zinc/97/57/02/1134975702.db2.gz NNSONDSVQHPMEB-UHFFFAOYSA-N -1 0 330.237 3.916 20 0 EHADRM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1cc(F)cc(Cl)c1 ZINC001192351145 1135004445 /nfs/dbraw/zinc/00/44/45/1135004445.db2.gz LGOSMRSZCJCEOB-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CCc1cccc(CC)c1NC(=O)c1cc(C(=O)OC)ccc1[O-] ZINC001192398302 1135014684 /nfs/dbraw/zinc/01/46/84/1135014684.db2.gz WPGUCYPIOPPXBE-UHFFFAOYSA-N -1 0 327.380 3.556 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccnc2C2CCC2)cnc1Cl ZINC001192534128 1135032188 /nfs/dbraw/zinc/03/21/88/1135032188.db2.gz OVAZTGMFECGOGS-UHFFFAOYSA-N -1 0 337.832 3.507 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccnc(C3CCC3)c2)cnc1Cl ZINC001192533776 1135032526 /nfs/dbraw/zinc/03/25/26/1135032526.db2.gz IBXZCTZYMCHEBD-UHFFFAOYSA-N -1 0 337.832 3.507 20 0 EHADRM COc1ccc(CNC(=O)c2c([O-])ccc(F)c2F)c2ccccc12 ZINC001192787274 1135054437 /nfs/dbraw/zinc/05/44/37/1135054437.db2.gz RIZNZSALBCLJMI-UHFFFAOYSA-N -1 0 343.329 3.762 20 0 EHADRM Cc1ccccc1-c1cc(NC(=O)c2ccc(F)c(F)c2[O-])n(C)n1 ZINC001192797976 1135055910 /nfs/dbraw/zinc/05/59/10/1135055910.db2.gz ZENKNJFNMADBFH-UHFFFAOYSA-N -1 0 343.333 3.632 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(F)c(F)c2[O-])cc1OC(F)F ZINC001192810423 1135057508 /nfs/dbraw/zinc/05/75/08/1135057508.db2.gz IGMIMCQQMOUIEI-UHFFFAOYSA-N -1 0 329.249 3.833 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2c(C)cc(OC)cc2C)c1 ZINC001192821665 1135059037 /nfs/dbraw/zinc/05/90/37/1135059037.db2.gz UADPZZVTMRSPGS-UHFFFAOYSA-N -1 0 349.452 3.684 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C)c(F)c(C)c2)c1 ZINC001192821679 1135059203 /nfs/dbraw/zinc/05/92/03/1135059203.db2.gz UTVOLQZVGHQFIK-UHFFFAOYSA-N -1 0 337.416 3.814 20 0 EHADRM CCCCOc1ccc([N-]S(=O)(=O)c2cnccc2Cl)cc1 ZINC001192886228 1135068048 /nfs/dbraw/zinc/06/80/48/1135068048.db2.gz XMIJFQYGHIIPIV-UHFFFAOYSA-N -1 0 340.832 3.715 20 0 EHADRM O=S(=O)([N-]c1ccccc1-c1ccccn1)c1cnccc1Cl ZINC001192890261 1135069034 /nfs/dbraw/zinc/06/90/34/1135069034.db2.gz PXQYFATUXZPVMD-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM O=C(NC[C@H]1CCCC(F)(F)C1)c1cc(Cl)nc(Cl)c1[O-] ZINC001193101737 1135101828 /nfs/dbraw/zinc/10/18/28/1135101828.db2.gz ZNRUXBZTNCBGFS-ZETCQYMHSA-N -1 0 339.169 3.649 20 0 EHADRM CCCc1ncncc1C(=O)Nc1c(Cl)ccc([O-])c1Cl ZINC001193445838 1135136287 /nfs/dbraw/zinc/13/62/87/1135136287.db2.gz KTEFBKRNYIHSKA-UHFFFAOYSA-N -1 0 326.183 3.694 20 0 EHADRM COc1nc(C)c(C(=O)Nc2ccc3[n-]c(=S)sc3c2)s1 ZINC001193490153 1135142573 /nfs/dbraw/zinc/14/25/73/1135142573.db2.gz DEALPZMZHMITBU-UHFFFAOYSA-N -1 0 337.451 3.611 20 0 EHADRM O=C(Nc1ccccc1[S-])c1ncccc1C(=O)c1ccccc1 ZINC001193568483 1135153918 /nfs/dbraw/zinc/15/39/18/1135153918.db2.gz CVGBJNIUXOMPIM-UHFFFAOYSA-N -1 0 334.400 3.854 20 0 EHADRM O=C(Nc1cccc2cc(S(=O)(=O)[O-])ccc21)OC1CCCCC1 ZINC001193632832 1135162469 /nfs/dbraw/zinc/16/24/69/1135162469.db2.gz SAUDRZADPBKFJT-UHFFFAOYSA-N -1 0 349.408 3.968 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(-c3cccs3)cc2)nc(C)n1 ZINC001194130775 1135229654 /nfs/dbraw/zinc/22/96/54/1135229654.db2.gz GAYAOWPQBBMDKK-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM O=S(=O)([N-]c1ccccc1O)c1ccc(-c2cccs2)cc1 ZINC001194162655 1135235795 /nfs/dbraw/zinc/23/57/95/1135235795.db2.gz KUUYMKAIASZBJM-UHFFFAOYSA-N -1 0 331.418 3.922 20 0 EHADRM Cc1cnc([N-]S(=O)(=O)c2ccc(-c3cccs3)cc2)c(C)n1 ZINC001194141383 1135239411 /nfs/dbraw/zinc/23/94/11/1135239411.db2.gz FLXKBZRJFPEGAX-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)C1=NO[C@@H](c2ccccc2)C1 ZINC000805254857 1135253659 /nfs/dbraw/zinc/25/36/59/1135253659.db2.gz HUZJDKDCMVQWEE-OAHLLOKOSA-N -1 0 334.734 3.641 20 0 EHADRM Cc1cnn(-c2ccc(C(=O)Nc3cc(Cl)c([O-])cc3F)cc2)c1 ZINC000805257389 1135253706 /nfs/dbraw/zinc/25/37/06/1135253706.db2.gz ZSNRYEGHRCIUGI-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)cc(C)c1F ZINC001194301947 1135254854 /nfs/dbraw/zinc/25/48/54/1135254854.db2.gz OGIYLYPUIDOMGQ-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM Cc1ccnc([N-]S(=O)(=O)c2cccc3c(Cl)cccc32)c1 ZINC001194404361 1135265214 /nfs/dbraw/zinc/26/52/14/1135265214.db2.gz QJWDCZGPVSRAPB-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cccc3c(Cl)cccc32)cn1 ZINC001194404560 1135265284 /nfs/dbraw/zinc/26/52/84/1135265284.db2.gz SXKUOHGLARHRKT-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cn1ncc(NC(=O)c2c([O-])cccc2Cl)c1-c1ccccc1 ZINC000805459501 1135275149 /nfs/dbraw/zinc/27/51/49/1135275149.db2.gz FEQQPELJMODIBF-UHFFFAOYSA-N -1 0 327.771 3.698 20 0 EHADRM C[C@H](c1ccccc1)n1cc(NC(=O)c2cccc(F)c2[O-])cn1 ZINC001130222620 1135280056 /nfs/dbraw/zinc/28/00/56/1135280056.db2.gz KKDUHMXNQGJVHD-GFCCVEGCSA-N -1 0 325.343 3.589 20 0 EHADRM COc1cccc2ncc(NS(=O)(=O)c3c(C)cccc3C)cc21 ZINC001194615236 1135298781 /nfs/dbraw/zinc/29/87/81/1135298781.db2.gz DTKYVTZAPWYYKH-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cccc(C(C)C)c2)n(C2CCC2)n1 ZINC001195120201 1135372400 /nfs/dbraw/zinc/37/24/00/1135372400.db2.gz FFFGWXSELBJKDI-UHFFFAOYSA-N -1 0 333.457 3.841 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)sc2c1)c1ccc(Cl)[nH]c1=O ZINC001195133718 1135375236 /nfs/dbraw/zinc/37/52/36/1135375236.db2.gz MSXQMUITZDOHOP-UHFFFAOYSA-N -1 0 337.813 3.591 20 0 EHADRM O=C(Nc1ccnn1Cc1ccccc1)c1cccc(Cl)c1[O-] ZINC000775646918 1135398708 /nfs/dbraw/zinc/39/87/08/1135398708.db2.gz MFFRNEFLIVRSDH-UHFFFAOYSA-N -1 0 327.771 3.543 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc2cccnc2c1 ZINC001195308788 1135410994 /nfs/dbraw/zinc/41/09/94/1135410994.db2.gz UJRYTKLDYHVLBV-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC001195308992 1135411095 /nfs/dbraw/zinc/41/10/95/1135411095.db2.gz WFDLIMNOPLUIAH-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM CC(=O)c1ccc(C)cc1[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC001195316493 1135412853 /nfs/dbraw/zinc/41/28/53/1135412853.db2.gz DSAVURLTHFOFOG-UHFFFAOYSA-N -1 0 337.828 3.960 20 0 EHADRM Cc1ccnn1-c1ccc(C(=O)Nc2cc(Cl)c([O-])cc2F)cc1 ZINC000805260108 1135438190 /nfs/dbraw/zinc/43/81/90/1135438190.db2.gz ZQTHQCHXDUQPRB-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)/C=C/c2ccc(C)cc2)cc1C ZINC000775679336 1135503768 /nfs/dbraw/zinc/50/37/68/1135503768.db2.gz XSBNYOUOUQJARZ-PLSXKVAHSA-N -1 0 333.457 3.884 20 0 EHADRM Cc1ncc([N-]S(=O)(=O)c2ccc3cc(Cl)ccc3c2)nc1C ZINC001196416377 1135561092 /nfs/dbraw/zinc/56/10/92/1135561092.db2.gz HRDWEEODNSCNBY-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM Cc1noc(-c2ccc(NC(=O)c3cc(Cl)c(F)cc3[O-])cc2)n1 ZINC001196466462 1135563863 /nfs/dbraw/zinc/56/38/63/1135563863.db2.gz HDIGRVRUFUCRTK-UHFFFAOYSA-N -1 0 347.733 3.795 20 0 EHADRM O=C(NCCc1ccc2[nH]ccc2c1)c1cc(Cl)c(F)cc1[O-] ZINC001196478630 1135566937 /nfs/dbraw/zinc/56/69/37/1135566937.db2.gz XNAKXBZQIZPTFW-UHFFFAOYSA-N -1 0 332.762 3.639 20 0 EHADRM O=C(NCc1cccc(C(F)(F)F)n1)c1cc(Cl)c(F)cc1[O-] ZINC001196484019 1135567394 /nfs/dbraw/zinc/56/73/94/1135567394.db2.gz PAJAQAPHDVBXFH-UHFFFAOYSA-N -1 0 348.683 3.529 20 0 EHADRM COc1ccccc1[C@@H]1CCN(C(=O)c2cc(Cl)c(F)cc2[O-])C1 ZINC001196452651 1135568884 /nfs/dbraw/zinc/56/88/84/1135568884.db2.gz FZNMNLOEWUCURR-LLVKDONJSA-N -1 0 349.789 3.823 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2cc(Cl)nc(Cl)c2)cc1 ZINC001197075672 1135647547 /nfs/dbraw/zinc/64/75/47/1135647547.db2.gz SROVNWYZYKHPAI-UHFFFAOYSA-N -1 0 342.207 3.896 20 0 EHADRM CCC[C@@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)c1ccncc1 ZINC001197136472 1135648840 /nfs/dbraw/zinc/64/88/40/1135648840.db2.gz FIORQKJAOHTJHT-OAHLLOKOSA-N -1 0 329.425 3.608 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NCc2ccc3ccoc3c2)cc1 ZINC001197139612 1135649421 /nfs/dbraw/zinc/64/94/21/1135649421.db2.gz SROYPJNBEAUYOZ-UHFFFAOYSA-N -1 0 326.377 3.618 20 0 EHADRM Cn1ccc2cc(NC(=S)Nc3ccc(C(=O)[O-])cc3)ccc21 ZINC001197112750 1135650675 /nfs/dbraw/zinc/65/06/75/1135650675.db2.gz IQYGWYLKICJNDY-UHFFFAOYSA-N -1 0 325.393 3.685 20 0 EHADRM O=S(=O)(Cc1cc(Cl)ccc1Cl)[N-][C@H]1CCCC1(F)F ZINC001197549431 1135704422 /nfs/dbraw/zinc/70/44/22/1135704422.db2.gz PRAFPHFZGPXGER-NSHDSACASA-N -1 0 344.210 3.601 20 0 EHADRM COc1cccc2c(C(=O)OCc3cccc(OC(F)F)c3)n[nH]c21 ZINC000808676798 1135715380 /nfs/dbraw/zinc/71/53/80/1135715380.db2.gz RWURXDCMTFVEQH-UHFFFAOYSA-N -1 0 348.305 3.530 20 0 EHADRM CCCCCCC(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000809123419 1135785656 /nfs/dbraw/zinc/78/56/56/1135785656.db2.gz XWRMDPGXXUDMLJ-UHFFFAOYSA-N -1 0 343.392 3.542 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2cccc(Cl)n2)cc2ccccc21 ZINC001198237685 1135790403 /nfs/dbraw/zinc/79/04/03/1135790403.db2.gz JVKHTFQQDLZJDN-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2cccc(Cl)n2)c(Cl)cc1C ZINC001198237688 1135790726 /nfs/dbraw/zinc/79/07/26/1135790726.db2.gz JWUVTPYZOWZUPU-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c1C ZINC000081668860 1135807388 /nfs/dbraw/zinc/80/73/88/1135807388.db2.gz USONCFKYJDJQQF-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)c1nc(C2CCC(C)CC2)no1 ZINC000809344288 1135821711 /nfs/dbraw/zinc/82/17/11/1135821711.db2.gz OIABXHSALVFLPR-ILDUYXDCSA-N -1 0 333.354 3.739 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)nc2ccccc12 ZINC001198603450 1135836607 /nfs/dbraw/zinc/83/66/07/1135836607.db2.gz GEJRFFLNQTYQRQ-UHFFFAOYSA-N -1 0 344.374 3.687 20 0 EHADRM Cc1cccc2cccc(NS(=O)(=O)c3ccccc3C(=O)[O-])c12 ZINC001198790556 1135853340 /nfs/dbraw/zinc/85/33/40/1135853340.db2.gz YZGBBBDIXXWASS-UHFFFAOYSA-N -1 0 341.388 3.647 20 0 EHADRM O=S(=O)([N-]c1cc(F)cc2cccnc21)c1ccc2occc2c1 ZINC001198858732 1135861680 /nfs/dbraw/zinc/86/16/80/1135861680.db2.gz HKLHIYXJZDPWSA-UHFFFAOYSA-N -1 0 342.351 3.921 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2c(C)ccc3cccnc32)c(C)c1 ZINC001198940632 1135868220 /nfs/dbraw/zinc/86/82/20/1135868220.db2.gz WQKKFYDUQHZVSR-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1ccnc(C(F)(F)F)c1 ZINC000809722044 1135878405 /nfs/dbraw/zinc/87/84/05/1135878405.db2.gz LBTRGUSHXOISML-UHFFFAOYSA-N -1 0 339.298 3.783 20 0 EHADRM CC[C@@H](CC(=O)[N-]S(=O)(=O)c1ccccc1F)c1ccc(C)cc1 ZINC000121538298 1135913375 /nfs/dbraw/zinc/91/33/75/1135913375.db2.gz IJKZVXAEFDRXCE-AWEZNQCLSA-N -1 0 349.427 3.523 20 0 EHADRM CSc1cc(C)nc(SC)c1NC(=O)c1ccn2nccc2c1 ZINC001152830624 1135973325 /nfs/dbraw/zinc/97/33/25/1135973325.db2.gz YPPXZOCBJFGZQG-UHFFFAOYSA-N -1 0 344.465 3.734 20 0 EHADRM Cc1csc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)n1 ZINC001201244907 1135998767 /nfs/dbraw/zinc/99/87/67/1135998767.db2.gz WLVWQMTZMWFUFW-UHFFFAOYSA-N -1 0 341.216 3.698 20 0 EHADRM Cc1ccccc1Oc1cccc(S(=O)(=O)N[C@H]2[CH]CC=C2)c1 ZINC001201589845 1136044010 /nfs/dbraw/zinc/04/40/10/1136044010.db2.gz WQYMNLAGPAJJSN-OAHLLOKOSA-N -1 0 328.413 3.598 20 0 EHADRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cn(CC3CC3)cn2)c(C)c1C ZINC001201792868 1136062892 /nfs/dbraw/zinc/06/28/92/1136062892.db2.gz UTNCGYBNMUPSFV-UHFFFAOYSA-N -1 0 347.484 3.636 20 0 EHADRM O=C(Nc1ccc(F)nc1)c1cc(Cl)cc(Br)c1[O-] ZINC000776231711 1136081225 /nfs/dbraw/zinc/08/12/25/1136081225.db2.gz GJDDHLSMCWUGPU-UHFFFAOYSA-N -1 0 345.555 3.595 20 0 EHADRM O=C(OCc1cc(=O)oc2cc(O)ccc12)c1ccc(Cl)cc1 ZINC000005782952 1136090905 /nfs/dbraw/zinc/09/09/05/1136090905.db2.gz QHDCKVVDDMQVOT-UHFFFAOYSA-N -1 0 330.723 3.509 20 0 EHADRM COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cccc(C(F)F)c1 ZINC000811712318 1136123865 /nfs/dbraw/zinc/12/38/65/1136123865.db2.gz PKINBZZCJFCJDC-UHFFFAOYSA-N -1 0 349.305 3.712 20 0 EHADRM Cc1cccc(NC(=O)Nc2c(C)cc(C)cc2S(=O)(=O)[O-])c1 ZINC001202315203 1136127930 /nfs/dbraw/zinc/12/79/30/1136127930.db2.gz WIYSYQYCJKELAN-UHFFFAOYSA-N -1 0 334.397 3.503 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccnc(Cl)c2C)c(Cl)cc1F ZINC000811836148 1136143092 /nfs/dbraw/zinc/14/30/92/1136143092.db2.gz FWWNSCJBBZMRCC-UHFFFAOYSA-N -1 0 349.214 3.945 20 0 EHADRM Cc1c(Cl)nccc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000811836333 1136143108 /nfs/dbraw/zinc/14/31/08/1136143108.db2.gz OQUOAURTPSOLHB-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CCOc1cc(F)ccc1NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811816002 1136144907 /nfs/dbraw/zinc/14/49/07/1136144907.db2.gz HVYLBVWYRWBYSR-UHFFFAOYSA-N -1 0 337.734 3.828 20 0 EHADRM CN(C(=O)c1cc(C(=O)[O-])ccc1Cl)[C@@H]1CCc2ccccc2C1 ZINC000811817235 1136145112 /nfs/dbraw/zinc/14/51/12/1136145112.db2.gz QCUYJTSSDWWKSG-OAHLLOKOSA-N -1 0 343.810 3.668 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N2CCCc3cc(F)ccc32)c1 ZINC000811815994 1136145174 /nfs/dbraw/zinc/14/51/74/1136145174.db2.gz HTPWRXRBDYSVJE-UHFFFAOYSA-N -1 0 333.746 3.770 20 0 EHADRM O=S(=O)(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)c1sccc1F ZINC000338909113 1136145645 /nfs/dbraw/zinc/14/56/45/1136145645.db2.gz XLLOKGLPCGCZSD-RDDDGLTNSA-N -1 0 349.811 3.514 20 0 EHADRM O=C(CCCCCc1cccs1)[N-]S(=O)(=O)C1CCCCC1 ZINC000109185818 1136224448 /nfs/dbraw/zinc/22/44/48/1136224448.db2.gz ZDAFOBAVRWYZHM-UHFFFAOYSA-N -1 0 343.514 3.630 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2c(Cl)n(C)nc2C(C)C)c1 ZINC000812705829 1136236120 /nfs/dbraw/zinc/23/61/20/1136236120.db2.gz GJWQCOQNIOBCNE-UHFFFAOYSA-N -1 0 349.818 3.748 20 0 EHADRM O=C(CCC1CC1)O[C@@H]1C[C@H]([N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000851176353 1136346684 /nfs/dbraw/zinc/34/66/84/1136346684.db2.gz OVNPWHKACOHFGV-UONOGXRCSA-N -1 0 341.329 3.584 20 0 EHADRM CCCC[C@@H](NC(=O)Cc1coc2ccc3ccccc3c12)C(=O)[O-] ZINC000543700443 1136357517 /nfs/dbraw/zinc/35/75/17/1136357517.db2.gz FBARSSYQBSGDLG-MRXNPFEDSA-N -1 0 339.391 3.888 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1sccc1Cl ZINC000814019493 1136387109 /nfs/dbraw/zinc/38/71/09/1136387109.db2.gz JWNIFFARNJSACC-LBPRGKRZSA-N -1 0 343.857 3.612 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H]1CCCCC1(C)C ZINC000814020605 1136387206 /nfs/dbraw/zinc/38/72/06/1136387206.db2.gz DJMIUMRLSZZUJJ-HZPDHXFCSA-N -1 0 337.485 3.800 20 0 EHADRM CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)[C@@H](CC)c1ccccc1 ZINC000814019391 1136387235 /nfs/dbraw/zinc/38/72/35/1136387235.db2.gz JBXLXLYLIXSAAD-ZBFHGGJFSA-N -1 0 325.474 3.800 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN(C(=O)c2ccc(/C=C\C(=O)[O-])o2)C1 ZINC000851594014 1136394831 /nfs/dbraw/zinc/39/48/31/1136394831.db2.gz FVUNURDGUNGDNI-YBNHLDJLSA-N -1 0 339.391 3.571 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N2CCCCC[C@@H]2c2ccco2)o1 ZINC000851594157 1136394856 /nfs/dbraw/zinc/39/48/56/1136394856.db2.gz GPKCDNLOEBVHPS-QQBNSCQMSA-N -1 0 329.352 3.728 20 0 EHADRM Cc1c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)ccn1C ZINC000851596196 1136395401 /nfs/dbraw/zinc/39/54/01/1136395401.db2.gz LMQRDGWPDRHKSX-KRWDZBQOSA-N -1 0 342.439 3.577 20 0 EHADRM Cc1c(C(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)ccn1C ZINC000851596199 1136395557 /nfs/dbraw/zinc/39/55/57/1136395557.db2.gz LMQRDGWPDRHKSX-QGZVFWFLSA-N -1 0 342.439 3.577 20 0 EHADRM CCOc1ccccc1[C@@H](CC)NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851604687 1136395616 /nfs/dbraw/zinc/39/56/16/1136395616.db2.gz DDRBYUZDHXYUPI-HBIYDYFMSA-N -1 0 343.379 3.657 20 0 EHADRM Cc1nc([C@H](C)NC(=O)c2ccccc2C(C)C)sc1C(=O)[O-] ZINC000851601644 1136395749 /nfs/dbraw/zinc/39/57/49/1136395749.db2.gz UBDKWPBUHRELPF-NSHDSACASA-N -1 0 332.425 3.764 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC000851619449 1136396111 /nfs/dbraw/zinc/39/61/11/1136396111.db2.gz AXANFSHHLUJVGC-GFCCVEGCSA-N -1 0 347.436 3.527 20 0 EHADRM CN(C[C@H]1CCc2ccccc21)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000851624550 1136396762 /nfs/dbraw/zinc/39/67/62/1136396762.db2.gz JECBUGVIELCZRE-CQSZACIVSA-N -1 0 343.810 3.840 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H](CC(C)C)c2ccccc2)c(C)o1 ZINC000776564367 1136428520 /nfs/dbraw/zinc/42/85/20/1136428520.db2.gz BLGRVMPQFUIWPP-INIZCTEOSA-N -1 0 349.452 3.531 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc(-c3cccs3)[nH]n2)ccc1Cl ZINC000776630661 1136494111 /nfs/dbraw/zinc/49/41/11/1136494111.db2.gz QVQYCJHBNJQAPM-UHFFFAOYSA-N -1 0 347.783 3.742 20 0 EHADRM O=C([O-])[C@H](CNC(=O)Nc1ccccc1SC(F)F)C1CCC1 ZINC000853091230 1136507901 /nfs/dbraw/zinc/50/79/01/1136507901.db2.gz BDFPINFZLFBBDL-SNVBAGLBSA-N -1 0 344.383 3.624 20 0 EHADRM C/C(=C/C(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1)C1CC1 ZINC000112159164 1136608562 /nfs/dbraw/zinc/60/85/62/1136608562.db2.gz WXXDNMIIOAYGAC-YPKPFQOOSA-N -1 0 341.432 3.515 20 0 EHADRM CN(C(=O)c1ccc2oc(=S)[n-]c2c1)C1CCC(F)(F)CC1 ZINC000854478984 1136619677 /nfs/dbraw/zinc/61/96/77/1136619677.db2.gz CPWBHUHFFZKLSN-UHFFFAOYSA-N -1 0 326.368 3.766 20 0 EHADRM CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1ccc2oc3ccccc3c2c1 ZINC000815711183 1136631861 /nfs/dbraw/zinc/63/18/61/1136631861.db2.gz HYSNAHZAEJTARI-GFCCVEGCSA-N -1 0 340.379 3.618 20 0 EHADRM COC(=O)c1cc(C(=O)O[C@@H](C)c2c(F)cccc2Cl)c[nH]1 ZINC000815970339 1136655823 /nfs/dbraw/zinc/65/58/23/1136655823.db2.gz VYQYFWXAVXAHDT-QMMMGPOBSA-N -1 0 325.723 3.512 20 0 EHADRM CC(=O)c1cc(F)c([O-])c(NC(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)c1 ZINC000830328984 1136662240 /nfs/dbraw/zinc/66/22/40/1136662240.db2.gz VCCCXORARSHXBU-SCZZXKLOSA-N -1 0 333.281 3.651 20 0 EHADRM CC[C@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)[C@@H](c1ccccc1)C(C)C ZINC000816109858 1136677643 /nfs/dbraw/zinc/67/76/43/1136677643.db2.gz NOIHFQFEEWOSPL-SQWLQELKSA-N -1 0 325.474 3.512 20 0 EHADRM C/C(=C\C(C)(C)C)C(=O)[N-]S(=O)(=O)[C@H](c1ccccc1)C(C)C ZINC000816113177 1136678069 /nfs/dbraw/zinc/67/80/69/1136678069.db2.gz MBVLLUBQOHZHDR-GRNBYLDVSA-N -1 0 337.485 3.822 20 0 EHADRM C[C@@](O)(C(=O)Nc1cc(F)cc(Cl)c1[O-])c1ccc(Cl)cc1 ZINC000816151595 1136679031 /nfs/dbraw/zinc/67/90/31/1136679031.db2.gz GEGSMSZWXUUASV-HNNXBMFYSA-N -1 0 344.169 3.684 20 0 EHADRM CC1(C)C(=O)Nc2cc(C(=O)Nc3cc(Cl)c([O-])cc3F)ccc21 ZINC000816661181 1136745846 /nfs/dbraw/zinc/74/58/46/1136745846.db2.gz FIWMWGAGUMPYKD-UHFFFAOYSA-N -1 0 348.761 3.667 20 0 EHADRM CCCCCC[C@H](CC)CN(C)C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000856300671 1136773874 /nfs/dbraw/zinc/77/38/74/1136773874.db2.gz UPXUTWVLCVMYBH-ZDUSSCGKSA-N -1 0 333.432 3.997 20 0 EHADRM CN(C(=O)c1cccc(Cl)c1[O-])[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000817488489 1136813384 /nfs/dbraw/zinc/81/33/84/1136813384.db2.gz MFSOSNJSXDTQDQ-OAHLLOKOSA-N -1 0 341.798 3.630 20 0 EHADRM O=C([O-])C[C@H](c1ccccc1)C1CCN(C(=O)C=C2CCCC2)CC1 ZINC000856930115 1136825178 /nfs/dbraw/zinc/82/51/78/1136825178.db2.gz QNTFTKIFUMQVMB-LJQANCHMSA-N -1 0 341.451 3.984 20 0 EHADRM C/C(=C\C(=O)N1CCC([C@@H](CC(=O)[O-])c2ccccc2)CC1)C1CC1 ZINC000856929838 1136825195 /nfs/dbraw/zinc/82/51/95/1136825195.db2.gz YWFOKHQAPOMGQB-LLLGYDHXSA-N -1 0 341.451 3.840 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)C=C(C1CC1)C1CC1 ZINC000856979056 1136829673 /nfs/dbraw/zinc/82/96/73/1136829673.db2.gz GTRCBMXNMZQWIO-ROUUACIJSA-N -1 0 325.408 3.550 20 0 EHADRM O=C(NCCCSc1ccc(F)cc1)c1cc(F)cc(F)c1[O-] ZINC001136109561 1136859198 /nfs/dbraw/zinc/85/91/98/1136859198.db2.gz FAACUVXNHFKIGJ-UHFFFAOYSA-N -1 0 341.354 3.722 20 0 EHADRM O=C([N-]Cc1ccncc1C(F)(F)F)C(F)(F)c1ccccc1F ZINC000857498419 1136877123 /nfs/dbraw/zinc/87/71/23/1136877123.db2.gz FDIMOYILKKFJJP-UHFFFAOYSA-N -1 0 348.246 3.648 20 0 EHADRM CSCC[C@H](C)N(C)C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000820123727 1136978384 /nfs/dbraw/zinc/97/83/84/1136978384.db2.gz WSJPYLCLJANJHC-LBPRGKRZSA-N -1 0 347.436 3.678 20 0 EHADRM CC[C@@H]1C[C@@H](C)CN1C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000820478137 1136994442 /nfs/dbraw/zinc/99/44/42/1136994442.db2.gz AMIYSLDUYJNAQS-TZMCWYRMSA-N -1 0 327.380 3.725 20 0 EHADRM CC(C)COc1ccccc1CNC(=O)c1cc(F)cc(F)c1[O-] ZINC001136366298 1137001994 /nfs/dbraw/zinc/00/19/94/1137001994.db2.gz CAJYXWNKPNGPMM-UHFFFAOYSA-N -1 0 335.350 3.635 20 0 EHADRM Cc1sc2ccc(Cl)cc2c1S(=O)(=O)[N-]c1cnsn1 ZINC000820798205 1137006759 /nfs/dbraw/zinc/00/67/59/1137006759.db2.gz AVGRWMUYXZSCPK-UHFFFAOYSA-N -1 0 345.858 3.515 20 0 EHADRM Cc1ccnn1-c1ccc(C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)cc1 ZINC000821857378 1137042582 /nfs/dbraw/zinc/04/25/82/1137042582.db2.gz AMRMNLLSHBSPTQ-WCIBSUBMSA-N -1 0 347.374 3.531 20 0 EHADRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1cnc(Cl)c(C)c1 ZINC000117228937 1137045453 /nfs/dbraw/zinc/04/54/53/1137045453.db2.gz MHXOCVLIFOQABT-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)N3CCCC34CCC4)c([O-])c2)o1 ZINC000822473520 1137061411 /nfs/dbraw/zinc/06/14/11/1137061411.db2.gz ZCVJTRVVGAGIKH-UHFFFAOYSA-N -1 0 325.364 3.623 20 0 EHADRM Cc1cc(C=O)c([O-])c(C(=O)Nc2cc(C(F)(F)F)ccc2F)c1 ZINC001136619595 1137069539 /nfs/dbraw/zinc/06/95/39/1137069539.db2.gz DSVGPVWEYQRCOP-UHFFFAOYSA-N -1 0 341.260 3.923 20 0 EHADRM Cc1[nH]c2ccc(C(=O)N3CCc4cc(C(=O)[O-])ccc43)cc2c1C ZINC000013449580 1137085724 /nfs/dbraw/zinc/08/57/24/1137085724.db2.gz ZTNJTSIQIJDXKG-UHFFFAOYSA-N -1 0 334.375 3.686 20 0 EHADRM CN(C)c1cccc([C@@H]2CCCN2C(=O)c2c([O-])cc(F)cc2F)c1 ZINC000117987748 1137092446 /nfs/dbraw/zinc/09/24/46/1137092446.db2.gz BIEKEZIPUVPQFQ-INIZCTEOSA-N -1 0 346.377 3.714 20 0 EHADRM Nc1cc(Nc2c(F)cc(C(=O)[O-])cc2F)ccc1Br ZINC001160305287 1137120698 /nfs/dbraw/zinc/12/06/98/1137120698.db2.gz XSKZYRYQAWITOD-UHFFFAOYSA-N -1 0 343.127 3.751 20 0 EHADRM CC(C)c1cnc(NC(=O)c2c([O-])cnc3c(F)cccc32)s1 ZINC001136839554 1137129008 /nfs/dbraw/zinc/12/90/08/1137129008.db2.gz NEMGFYQBEHUQLX-UHFFFAOYSA-N -1 0 331.372 3.912 20 0 EHADRM CCCN(CCc1ccccn1)C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000824689615 1137148356 /nfs/dbraw/zinc/14/83/56/1137148356.db2.gz QITUZLGEEBPYQJ-UHFFFAOYSA-N -1 0 341.436 3.606 20 0 EHADRM CC[C@@H](C)C[C@H](C)NC(=O)c1nn(-c2cc(C)ccc2F)cc1[O-] ZINC001136966412 1137158637 /nfs/dbraw/zinc/15/86/37/1137158637.db2.gz BNAKDGPZRIYMJI-YPMHNXCESA-N -1 0 333.407 3.580 20 0 EHADRM O=C(Nc1ccc(F)cc1OC(F)F)c1ncc2ccccc2c1[O-] ZINC001137032320 1137177048 /nfs/dbraw/zinc/17/70/48/1137177048.db2.gz KJNYQJUIJTVANO-UHFFFAOYSA-N -1 0 348.280 3.933 20 0 EHADRM Cc1cccc2c1C[C@@H](c1nc(-c3ccc(CCC(=O)[O-])cc3)no1)N2 ZINC000863655470 1137197106 /nfs/dbraw/zinc/19/71/06/1137197106.db2.gz DZVONCBOUIJCDV-KRWDZBQOSA-N -1 0 349.390 3.772 20 0 EHADRM NC(=O)C[C@H](CC(=O)Nc1ccccc1[S-])c1ccc(Cl)cc1 ZINC001143789844 1137197967 /nfs/dbraw/zinc/19/79/67/1137197967.db2.gz PMEQKAYOOAWWTE-GFCCVEGCSA-N -1 0 348.855 3.617 20 0 EHADRM C[C@H]1CN(c2ccc3ccc(Br)cc3n2)CC[C@@H]1C(=O)[O-] ZINC000863734812 1137201402 /nfs/dbraw/zinc/20/14/02/1137201402.db2.gz UQWLTSSVIXDEBD-GWCFXTLKSA-N -1 0 349.228 3.544 20 0 EHADRM CC(C)c1cc(Br)ccc1NC(=O)[C@@H](C(=O)[O-])C(C)C ZINC000844225216 1137203668 /nfs/dbraw/zinc/20/36/68/1137203668.db2.gz YLZNNKFHNJUOMN-ZDUSSCGKSA-N -1 0 342.233 3.868 20 0 EHADRM Cc1ccc(C(=O)NCC2(Sc3ccccc3)CC2)cc1C(=O)[O-] ZINC000864109995 1137215446 /nfs/dbraw/zinc/21/54/46/1137215446.db2.gz GJECWBIRCOXDFF-UHFFFAOYSA-N -1 0 341.432 3.748 20 0 EHADRM CCc1cc2c(CC(=O)N(CCC(=O)[O-])C3CC3)csc2s1 ZINC000864114516 1137215744 /nfs/dbraw/zinc/21/57/44/1137215744.db2.gz WHOICLMIJJDOGF-UHFFFAOYSA-N -1 0 337.466 3.533 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)/C=C/c1ccsc1C(F)(F)F ZINC000864118698 1137216003 /nfs/dbraw/zinc/21/60/03/1137216003.db2.gz LKIMVJHRUPPHDR-IHVVCDCBSA-N -1 0 335.347 3.540 20 0 EHADRM CCOC1CC2(C[C@H]2C(=O)Nc2cc3ccccc3cc2C(=O)[O-])C1 ZINC000864116327 1137216069 /nfs/dbraw/zinc/21/60/69/1137216069.db2.gz PKGGGACHERDILJ-FXUPRZHBSA-N -1 0 339.391 3.682 20 0 EHADRM CC(C)n1ncc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1Cl ZINC000864122529 1137216170 /nfs/dbraw/zinc/21/61/70/1137216170.db2.gz RHWWSYSYWKKXLH-UHFFFAOYSA-N -1 0 349.818 3.732 20 0 EHADRM CCCc1ccc(C(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)s1 ZINC000864149562 1137217076 /nfs/dbraw/zinc/21/70/76/1137217076.db2.gz NCDNEKKHCTYWJF-LJQANCHMSA-N -1 0 343.448 3.569 20 0 EHADRM CCC[C@H](CNC(=O)CCc1ccc(F)c2ccccc12)C(=O)[O-] ZINC000864148316 1137217118 /nfs/dbraw/zinc/21/71/18/1137217118.db2.gz GKPYCMSHDWVLGL-CQSZACIVSA-N -1 0 331.387 3.529 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)/C=C/c2cc(C(=O)[O-])co2)c(C)c1 ZINC000864178380 1137218165 /nfs/dbraw/zinc/21/81/65/1137218165.db2.gz ZAHDJIWJRHUKGH-OWNNVSBGSA-N -1 0 327.380 3.827 20 0 EHADRM O=C([O-])C12CCC(CC1)N2C(=O)/C=C\c1ccc(F)c2ccccc12 ZINC000864189478 1137218391 /nfs/dbraw/zinc/21/83/91/1137218391.db2.gz OPEUGCBMRXKSRG-VURMDHGXSA-N -1 0 339.366 3.600 20 0 EHADRM C[C@@H](C(=O)N[C@@](C)(Cc1ccc(Cl)cc1)C(=O)[O-])c1ccccc1 ZINC000864196246 1137218715 /nfs/dbraw/zinc/21/87/15/1137218715.db2.gz OCIIZBSTAHDFPO-YJYMSZOUSA-N -1 0 345.826 3.646 20 0 EHADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)c1cc3c(ccc4ccccc34)o1)C2 ZINC000864211673 1137219143 /nfs/dbraw/zinc/21/91/43/1137219143.db2.gz AQDJSIQHJCPVCT-UVARLRKDSA-N -1 0 335.359 3.569 20 0 EHADRM C[C@H](Cc1ccc(NCc2cccnc2Br)cc1)C(=O)[O-] ZINC000864513318 1137231100 /nfs/dbraw/zinc/23/11/00/1137231100.db2.gz ZYZFXFWITGFUHL-LLVKDONJSA-N -1 0 349.228 3.719 20 0 EHADRM CCOc1cc(F)cc(CNc2ccc(OCCC(=O)[O-])cc2)c1 ZINC000864511790 1137231160 /nfs/dbraw/zinc/23/11/60/1137231160.db2.gz MKBLRFRJOIUZKK-UHFFFAOYSA-N -1 0 333.359 3.690 20 0 EHADRM C[C@H](NC(=O)N1C2CCC1(C(=O)[O-])CC2)c1csc2ccccc21 ZINC000864521857 1137232061 /nfs/dbraw/zinc/23/20/61/1137232061.db2.gz LPHOLIVUBDOSLX-OMTHAAKESA-N -1 0 344.436 3.754 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)Nc1cccc(C2CCOCC2)c1 ZINC000864583492 1137235533 /nfs/dbraw/zinc/23/55/33/1137235533.db2.gz TWCZQDGRZRUYMA-KRWDZBQOSA-N -1 0 348.443 3.544 20 0 EHADRM CC(C)N(C)c1cccc(NC(=O)NCc2ccccc2C(=O)[O-])c1 ZINC000864593282 1137235768 /nfs/dbraw/zinc/23/57/68/1137235768.db2.gz OTZAWINFFBITHU-UHFFFAOYSA-N -1 0 341.411 3.551 20 0 EHADRM COc1ccc(C2CC2)c(NC(=O)NCc2cccc(C(=O)[O-])c2)c1 ZINC000864608175 1137236457 /nfs/dbraw/zinc/23/64/57/1137236457.db2.gz JOVSOLNRRMTLTF-UHFFFAOYSA-N -1 0 340.379 3.593 20 0 EHADRM CCCN(CCC)c1ccc(NC(=O)NO[C@@H]2CCCCO2)cc1 ZINC000844797848 1137252897 /nfs/dbraw/zinc/25/28/97/1137252897.db2.gz XQPRIXCNWHOPFY-QGZVFWFLSA-N -1 0 335.448 3.893 20 0 EHADRM Cc1ccccc1[C@H](O)C(=O)Nc1c(Cl)ccc([O-])c1Cl ZINC001144531856 1137305930 /nfs/dbraw/zinc/30/59/30/1137305930.db2.gz BGWRYDWBWJHTGG-AWEZNQCLSA-N -1 0 326.179 3.680 20 0 EHADRM CCN(C)c1ccccc1CNC(=O)c1ccc2oc(=S)[n-]c2c1 ZINC001144574857 1137311891 /nfs/dbraw/zinc/31/18/91/1137311891.db2.gz VYARILCPXMTOMS-UHFFFAOYSA-N -1 0 341.436 3.503 20 0 EHADRM CCC[C@H](C(=O)c1ccccc1)N(C)Cc1sccc1C(=O)[O-] ZINC001144685006 1137329683 /nfs/dbraw/zinc/32/96/83/1137329683.db2.gz UBOAWXNDVQDRIS-OAHLLOKOSA-N -1 0 331.437 3.930 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)/C=C/C2CCCCCC2)sc1C(=O)[O-] ZINC000846117326 1137334147 /nfs/dbraw/zinc/33/41/47/1137334147.db2.gz CGFGVFUZWCJOGH-BZYZDCJZSA-N -1 0 336.457 3.854 20 0 EHADRM COc1ccc(Cl)cc1C[N@H+](C)Cc1ccccc1CC(=O)[O-] ZINC000846239399 1137343023 /nfs/dbraw/zinc/34/30/23/1137343023.db2.gz WQXSOOSKBLPBAJ-UHFFFAOYSA-N -1 0 333.815 3.608 20 0 EHADRM O=C(c1ccc(C(F)(F)F)c(O)c1)N1CCC[C@]2(CC2(F)F)C1 ZINC000846583612 1137358818 /nfs/dbraw/zinc/35/88/18/1137358818.db2.gz QIOFBTZJSBHPCU-ZDUSSCGKSA-N -1 0 335.272 3.672 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2cccc(SC(F)F)c2)CC=CCC1 ZINC000846708465 1137363253 /nfs/dbraw/zinc/36/32/53/1137363253.db2.gz AYVSWAMPGLZGIJ-HNNXBMFYSA-N -1 0 327.352 3.751 20 0 EHADRM CC[C@@H](C)c1nc(C)c(CC(=O)Nc2ccsc2C(=O)[O-])c(C)n1 ZINC000846757138 1137363509 /nfs/dbraw/zinc/36/35/09/1137363509.db2.gz TURXASCKFVBBIZ-SECBINFHSA-N -1 0 347.440 3.548 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cc(F)c(F)c(F)c1F ZINC000121128894 1137367593 /nfs/dbraw/zinc/36/75/93/1137367593.db2.gz JBXDOVJIHXSOHI-UHFFFAOYSA-N -1 0 342.273 3.925 20 0 EHADRM O=C([N-]OCCC(F)(F)F)[C@@H](c1cccnc1)C1CCCCC1 ZINC000867551068 1137381555 /nfs/dbraw/zinc/38/15/55/1137381555.db2.gz ZSDATEWPMQDSQS-CQSZACIVSA-N -1 0 330.350 3.746 20 0 EHADRM O=C(NCCCC1CCC1)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001147792566 1137412833 /nfs/dbraw/zinc/41/28/33/1137412833.db2.gz OQYDSPMKYSZKMX-UHFFFAOYSA-N -1 0 333.819 3.541 20 0 EHADRM Cc1cc(C=O)c([O-])c(C(=O)Nc2ccc(F)cc2OC(F)F)c1 ZINC001148205370 1137419424 /nfs/dbraw/zinc/41/94/24/1137419424.db2.gz JRSVFHJNLNXDPS-UHFFFAOYSA-N -1 0 339.269 3.506 20 0 EHADRM CC(C)C[C@@H]1CCN(C(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])C1 ZINC001148547091 1137427607 /nfs/dbraw/zinc/42/76/07/1137427607.db2.gz GGHZJSGFILHNSL-ZDUSSCGKSA-N -1 0 347.846 3.740 20 0 EHADRM CCc1oc(C(=O)N(C)Cc2cccc3ccccc32)cc1C(=O)[O-] ZINC000339086894 1137434323 /nfs/dbraw/zinc/43/43/23/1137434323.db2.gz LXXIIVRSSJKCLG-UHFFFAOYSA-N -1 0 337.375 3.966 20 0 EHADRM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CCC(=O)[C@H]2CCCC[C@@H]21 ZINC001148806182 1137435410 /nfs/dbraw/zinc/43/54/10/1137435410.db2.gz OJAGSDAUILVNSK-GWCFXTLKSA-N -1 0 342.222 3.673 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC[C@@H](OC2CCC2)CC1 ZINC000871332363 1137537541 /nfs/dbraw/zinc/53/75/41/1137537541.db2.gz ZFLMEBRSYSUAHT-CQSZACIVSA-N -1 0 346.452 3.680 20 0 EHADRM CCOc1cccc(F)c1CNc1ccc(OCCC(=O)[O-])cc1 ZINC000871878342 1137561938 /nfs/dbraw/zinc/56/19/38/1137561938.db2.gz HYRDHRXTMSRSEE-UHFFFAOYSA-N -1 0 333.359 3.690 20 0 EHADRM O=C([O-])C[C@H](NCc1ccnn1CC1CCC1)c1ccccc1Cl ZINC000871883675 1137562413 /nfs/dbraw/zinc/56/24/13/1137562413.db2.gz UXBLAWLZUREJSB-KRWDZBQOSA-N -1 0 347.846 3.642 20 0 EHADRM CC(C)[C@H]1CCc2[n-]n(-c3ccnc(Br)c3)c(=O)c2C1 ZINC000871952503 1137563622 /nfs/dbraw/zinc/56/36/22/1137563622.db2.gz DEJBKYGBTNRTQI-JQWIXIFHSA-N -1 0 336.233 3.619 20 0 EHADRM O=c1cc(-c2ccc(Cl)cc2)[n-]n1[C@H]1CCOC2(CCCC2)C1 ZINC000871964568 1137563892 /nfs/dbraw/zinc/56/38/92/1137563892.db2.gz SYVSFHCMYXOXSS-HNNXBMFYSA-N -1 0 332.831 3.768 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2sccc2C(F)F)C1 ZINC000872718465 1137583124 /nfs/dbraw/zinc/58/31/24/1137583124.db2.gz SRWATUMVKSTTKI-SECBINFHSA-N -1 0 331.384 3.649 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N(Cc1c(Cl)cccc1Cl)C1CC1 ZINC000872737857 1137583430 /nfs/dbraw/zinc/58/34/30/1137583430.db2.gz YVSUWYUMJILSGK-WDEREUQCSA-N -1 0 342.222 3.595 20 0 EHADRM Cc1cc(CCCC(=O)N2CC[C@]3(C(=O)[O-])CCC[C@H]23)c(C)s1 ZINC000872767244 1137584142 /nfs/dbraw/zinc/58/41/42/1137584142.db2.gz QESSVGVTCXOJEL-MAUKXSAKSA-N -1 0 335.469 3.543 20 0 EHADRM Cc1c(C(=O)N2CC[C@]3(C(=O)[O-])CCC[C@H]23)sc2cccc(F)c12 ZINC000872769343 1137584257 /nfs/dbraw/zinc/58/42/57/1137584257.db2.gz SLCFYNPXQGAAEG-SCLBCKFNSA-N -1 0 347.411 3.818 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H]1C(=O)Nc1cccc(C2SCCS2)c1 ZINC000872833982 1137585231 /nfs/dbraw/zinc/58/52/31/1137585231.db2.gz ZRNHNIWKKDPAPI-STQMWFEESA-N -1 0 337.466 3.605 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)C[C@]2(C(=O)[O-])CCc3ccccc32)s1 ZINC000872839308 1137585372 /nfs/dbraw/zinc/58/53/72/1137585372.db2.gz PXPCNITVHCGIIM-ORAYPTAESA-N -1 0 343.448 3.593 20 0 EHADRM Cc1c(Cl)cc(F)c(NC(=O)C2=C(C(=O)[O-])CCCC2)c1F ZINC000872853855 1137585532 /nfs/dbraw/zinc/58/55/32/1137585532.db2.gz FKLOKPDHGUKRHI-UHFFFAOYSA-N -1 0 329.730 3.820 20 0 EHADRM CC(C)Oc1ccc(NC(=O)C(C)(C)SCC(=O)[O-])c(Cl)c1 ZINC000872858596 1137585707 /nfs/dbraw/zinc/58/57/07/1137585707.db2.gz MCGXHRJNQFTHCA-UHFFFAOYSA-N -1 0 345.848 3.662 20 0 EHADRM Cc1c(NC(=O)C[C@@]2(C(=O)[O-])CCc3ccccc32)ccc(F)c1F ZINC000872874806 1137585825 /nfs/dbraw/zinc/58/58/25/1137585825.db2.gz PGYLHZVFFFHTIE-IBGZPJMESA-N -1 0 345.345 3.571 20 0 EHADRM CC(C)C[C@](C)(CC(=O)[O-])C(=O)NCC[C@]1(C)CC1(Cl)Cl ZINC000872871787 1137585876 /nfs/dbraw/zinc/58/58/76/1137585876.db2.gz IINDCBAEGFHEAO-ZIAGYGMSSA-N -1 0 338.275 3.604 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H]1C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC000872884736 1137586099 /nfs/dbraw/zinc/58/60/99/1137586099.db2.gz YNRRQJWKZKKSTN-MNOVXSKESA-N -1 0 333.331 3.738 20 0 EHADRM C[C@](CC(=O)N1CCC1(C)C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000872951584 1137586909 /nfs/dbraw/zinc/58/69/09/1137586909.db2.gz MOFSULWRFRIQPQ-MRXNPFEDSA-N -1 0 344.238 3.737 20 0 EHADRM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)C1=C(C(=O)[O-])CCCC1 ZINC000872982925 1137587482 /nfs/dbraw/zinc/58/74/82/1137587482.db2.gz OYPSSZSPHIPCDZ-KRWDZBQOSA-N -1 0 331.412 3.560 20 0 EHADRM CCC(CC)(CC(=O)NC[C@@H]1CC=CC[C@H]1C(F)(F)F)C(=O)[O-] ZINC000872997155 1137587600 /nfs/dbraw/zinc/58/76/00/1137587600.db2.gz IHPOXKOEJUBLFA-NWDGAFQWSA-N -1 0 335.366 3.528 20 0 EHADRM C[C@H](CC(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1F)c1ccccc1 ZINC000873567695 1137602632 /nfs/dbraw/zinc/60/26/32/1137602632.db2.gz UCTQQHOOFCODJA-ZIAGYGMSSA-N -1 0 349.427 3.527 20 0 EHADRM O=C(c1cccc(F)c1[O-])N1CCC2(CCc3ccccc3O2)CC1 ZINC000825719012 1137612690 /nfs/dbraw/zinc/61/26/90/1137612690.db2.gz ROAPNUMVCVJACR-UHFFFAOYSA-N -1 0 341.382 3.531 20 0 EHADRM Cc1cc(COc2ccc(C(=O)[O-])cc2-c2ccc(C=O)cc2)on1 ZINC000874972850 1137627292 /nfs/dbraw/zinc/62/72/92/1137627292.db2.gz PJRYGPQHVOCIGY-UHFFFAOYSA-N -1 0 337.331 3.740 20 0 EHADRM O=Cc1ccc(-c2ccccc2-c2cnc(CCC(=O)[O-])o2)cc1F ZINC000874973354 1137627322 /nfs/dbraw/zinc/62/73/22/1137627322.db2.gz UUDRUAMRCKGETF-UHFFFAOYSA-N -1 0 339.322 3.977 20 0 EHADRM O=Cc1ccc(-c2cccc(C(=O)Nc3ccccc3C(=O)[O-])c2)o1 ZINC000874971403 1137627328 /nfs/dbraw/zinc/62/73/28/1137627328.db2.gz FIGBKKKXYVYAHS-UHFFFAOYSA-N -1 0 335.315 3.710 20 0 EHADRM Cn1ncc([N-]c2nc(-c3cc(F)cc(F)c3)ns2)c1C1CC1 ZINC000825947074 1137673190 /nfs/dbraw/zinc/67/31/90/1137673190.db2.gz DFRVOJLSLRZXLJ-UHFFFAOYSA-N -1 0 333.367 3.838 20 0 EHADRM CC[C@@](C)(NCc1nnc(-c2ccccc2O)o1)c1nc(C)cs1 ZINC000878262819 1137709001 /nfs/dbraw/zinc/70/90/01/1137709001.db2.gz WGPNKRNKVUQXIQ-QGZVFWFLSA-N -1 0 344.440 3.622 20 0 EHADRM CC(C)N(C(=O)COC(=O)c1cc2ccsc2[nH]1)c1ccccc1 ZINC000023345545 1137748757 /nfs/dbraw/zinc/74/87/57/1137748757.db2.gz AHEHBTOUNVDUAW-UHFFFAOYSA-N -1 0 342.420 3.828 20 0 EHADRM O=c1nc(CN2CCC[C@](F)(c3ccccc3)C2)[n-]c2ccsc21 ZINC000879478050 1137748963 /nfs/dbraw/zinc/74/89/63/1137748963.db2.gz HNOJBGCSNUONBE-GOSISDBHSA-N -1 0 343.427 3.858 20 0 EHADRM O=S(=O)([N-]c1ncsc1C1CC1)c1cccc2c1CCCC2 ZINC000882771891 1137833921 /nfs/dbraw/zinc/83/39/21/1137833921.db2.gz XMPPCLCMTRKPNT-UHFFFAOYSA-N -1 0 334.466 3.700 20 0 EHADRM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)c(F)c2)c1 ZINC000130402483 1137837034 /nfs/dbraw/zinc/83/70/34/1137837034.db2.gz MHECMTMQYQRTFE-UHFFFAOYSA-N -1 0 341.791 3.791 20 0 EHADRM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c(C)c2)c1 ZINC000130646828 1137840360 /nfs/dbraw/zinc/84/03/60/1137840360.db2.gz MTYXSTATYQKFPL-UHFFFAOYSA-N -1 0 341.791 3.791 20 0 EHADRM CCc1ccc([C@H]2CCCN2C(=O)c2cc(F)c(F)c([O-])c2F)o1 ZINC000331910265 1137925423 /nfs/dbraw/zinc/92/54/23/1137925423.db2.gz ZYWGIMXULZGQME-GFCCVEGCSA-N -1 0 339.313 3.942 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)c2cc(Cl)c(Cl)[nH]2)cc1 ZINC000215101286 1137958278 /nfs/dbraw/zinc/95/82/78/1137958278.db2.gz XZUQUEJGWKVHJI-UTCJRWHESA-N -1 0 325.151 3.672 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)OCc2nnc(-c3ccccc3O)o2)C[C@@H]1C ZINC000884531390 1137962395 /nfs/dbraw/zinc/96/23/95/1137962395.db2.gz KZTTWYBVMRKIPN-FRRDWIJNSA-N -1 0 330.384 3.558 20 0 EHADRM O=C(CSc1nc2cc(Cl)ccc2o1)[N-]OCc1ccccc1 ZINC000136080440 1138018676 /nfs/dbraw/zinc/01/86/76/1138018676.db2.gz GDMBGSWEFRRUGP-UHFFFAOYSA-N -1 0 348.811 3.821 20 0 EHADRM Cc1csc(C(C)(C)NC(=O)c2ccc3[n-]c(=S)oc3c2)n1 ZINC000074679036 1138123236 /nfs/dbraw/zinc/12/32/36/1138123236.db2.gz PRQAHXIOBGQDJT-UHFFFAOYSA-N -1 0 333.438 3.920 20 0 EHADRM COc1ccc(-c2cc3[n-]c(COC(C)C)nc(=O)c3s2)cc1 ZINC000075078741 1138125877 /nfs/dbraw/zinc/12/58/77/1138125877.db2.gz NROGGHMOJFVRAR-UHFFFAOYSA-N -1 0 330.409 3.585 20 0 EHADRM CS[C@H](CNC(=O)c1cc(C(=O)[O-])ccc1Cl)C(C)(C)C ZINC000826538555 1138229511 /nfs/dbraw/zinc/22/95/11/1138229511.db2.gz FZJNINSTZDBNJB-GFCCVEGCSA-N -1 0 329.849 3.546 20 0 EHADRM Cc1ccc(NC(=O)N[C@@](C)(Cc2ccc(F)cc2)C(=O)[O-])c(C)c1 ZINC000887277342 1138254111 /nfs/dbraw/zinc/25/41/11/1138254111.db2.gz UIIJXCNEKBCIFB-IBGZPJMESA-N -1 0 344.386 3.650 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cn(C)nc2C2CCCCC2)s1 ZINC000333422075 1138288621 /nfs/dbraw/zinc/28/86/21/1138288621.db2.gz MCEYVKJTDRYLCV-UHFFFAOYSA-N -1 0 339.486 3.639 20 0 EHADRM Cc1csc(S(=O)(=O)[N-]c2cn(C)nc2C2CCCCC2)c1 ZINC000333440937 1138290970 /nfs/dbraw/zinc/29/09/70/1138290970.db2.gz PQSLOJNCNIKSCE-UHFFFAOYSA-N -1 0 339.486 3.639 20 0 EHADRM C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000131463020 1138519750 /nfs/dbraw/zinc/51/97/50/1138519750.db2.gz UJMQYBDNFGPTAL-ZBEGNZNMSA-N -1 0 349.789 3.787 20 0 EHADRM CO[C@H](C)c1nc(=N[C@@H](c2cccc(C)c2)c2ccccn2)s[n-]1 ZINC000337885113 1138690505 /nfs/dbraw/zinc/69/05/05/1138690505.db2.gz XJBZFVLOHPIJDQ-CJNGLKHVSA-N -1 0 340.452 3.572 20 0 EHADRM CO[C@@H](C)c1nc(=NC(=O)c2ccc(C(C)C)c(Cl)c2)s[n-]1 ZINC000338031511 1138728100 /nfs/dbraw/zinc/72/81/00/1138728100.db2.gz SPSHKEXFBWIVBA-VIFPVBQESA-N -1 0 339.848 3.697 20 0 EHADRM O=C([O-])C/C(=C\c1cccc2nccn21)c1nc2ccccc2s1 ZINC000338158891 1138769143 /nfs/dbraw/zinc/76/91/43/1138769143.db2.gz XQJYAANWHUWNHG-ZRDIBKRKSA-N -1 0 335.388 3.959 20 0 EHADRM CC(C)OCCC(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000174914539 1139450274 /nfs/dbraw/zinc/45/02/74/1139450274.db2.gz AOCFWAUEFITZTJ-UHFFFAOYSA-N -1 0 336.613 3.562 20 0 EHADRM C[C@H]1CN(C(=O)CSc2n[n-]c(=S)s2)[C@H]1c1ccccc1 ZINC000176481560 1139560054 /nfs/dbraw/zinc/56/00/54/1139560054.db2.gz PZXGSTMVNVBDPI-JOYOIKCWSA-N -1 0 337.495 3.512 20 0 EHADRM Cc1nc(C)c(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)s1 ZINC000177088512 1139597232 /nfs/dbraw/zinc/59/72/32/1139597232.db2.gz MMYVQIKFLMGFHO-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])CCCO1 ZINC000178263394 1139683188 /nfs/dbraw/zinc/68/31/88/1139683188.db2.gz BXAPBVZLFVCOCX-CYBMUJFWSA-N -1 0 345.826 3.964 20 0 EHADRM COc1ccc(-c2cc3[n-]c([C@@H]4CCCO4)nc(=O)c3s2)cc1 ZINC000178984933 1139729053 /nfs/dbraw/zinc/72/90/53/1139729053.db2.gz OGTRVZUJCKOSFZ-ZDUSSCGKSA-N -1 0 328.393 3.512 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)C[C@H]2CCC[C@H](C)C2)c1Cl ZINC000777349403 1139784841 /nfs/dbraw/zinc/78/48/41/1139784841.db2.gz JTWJSGXOGFLRPN-AAEUAGOBSA-N -1 0 343.876 3.670 20 0 EHADRM CCCC(CCC)C(=O)[N-]S(=O)(=O)c1cccc(C)c1Cl ZINC000777354646 1139811135 /nfs/dbraw/zinc/81/11/35/1139811135.db2.gz CYXWFRCPWLSIPL-UHFFFAOYSA-N -1 0 331.865 3.670 20 0 EHADRM O=C([N-]c1ncn(C2CCCCC2)n1)c1cc(-c2ccccc2)no1 ZINC000182714424 1139988295 /nfs/dbraw/zinc/98/82/95/1139988295.db2.gz PNDFZWYJLBGYNU-UHFFFAOYSA-N -1 0 337.383 3.691 20 0 EHADRM CO[C@H](C)CCC(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000184138626 1140082106 /nfs/dbraw/zinc/08/21/06/1140082106.db2.gz MXHGDCPHYMKVRO-SSDOTTSWSA-N -1 0 336.613 3.562 20 0 EHADRM Cc1ccc2[nH]c([C@H]3CCCN3C(=O)c3c([O-])cccc3F)nc2c1 ZINC000184306167 1140094265 /nfs/dbraw/zinc/09/42/65/1140094265.db2.gz WFIFICJVNOBWKH-OAHLLOKOSA-N -1 0 339.370 3.693 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(F)c([O-])c(Cl)c2)C[C@H](c2ccccc2)O1 ZINC000184321178 1140095697 /nfs/dbraw/zinc/09/56/97/1140095697.db2.gz SHSAGCJATSABIB-BDJLRTHQSA-N -1 0 349.789 3.787 20 0 EHADRM CC(C)(C)c1csc(CNC(=O)c2cc(F)c([O-])c(Cl)c2)n1 ZINC000184380017 1140100033 /nfs/dbraw/zinc/10/00/33/1140100033.db2.gz PNRBIKZTZRSKIH-UHFFFAOYSA-N -1 0 342.823 3.869 20 0 EHADRM O=C([N-]OC[C@@H]1CCOC1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000189240576 1140329910 /nfs/dbraw/zinc/32/99/10/1140329910.db2.gz IRFDFLCVQXWBKX-QAPCUYQASA-N -1 0 343.448 3.604 20 0 EHADRM CCOc1cccc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC000191442827 1140464292 /nfs/dbraw/zinc/46/42/92/1140464292.db2.gz NXXGEEKJTUPPQF-CYBMUJFWSA-N -1 0 327.380 3.601 20 0 EHADRM C[C@@H](c1nc2ccccc2s1)N(C)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000191572909 1140473509 /nfs/dbraw/zinc/47/35/09/1140473509.db2.gz MROALCHEDGPBSQ-XQQFMLRXSA-N -1 0 346.452 3.707 20 0 EHADRM O=C([O-])C1CCC(C(=O)NCc2ccccc2OC2CCCC2)CC1 ZINC000194390325 1140607241 /nfs/dbraw/zinc/60/72/41/1140607241.db2.gz SAQTVZZSCSVKQH-UHFFFAOYSA-N -1 0 345.439 3.515 20 0 EHADRM O=C([O-])C1CCC(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)CC1 ZINC000194411460 1140608928 /nfs/dbraw/zinc/60/89/28/1140608928.db2.gz MQLXCCTUEYISPB-VMBOVVBDSA-N -1 0 333.403 3.674 20 0 EHADRM CC[C@@H](C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC000194491165 1140611760 /nfs/dbraw/zinc/61/17/60/1140611760.db2.gz XSNREKKBZDZSCS-IACUBPJLSA-N -1 0 343.345 3.569 20 0 EHADRM CCCCCOCC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000268901635 1141022038 /nfs/dbraw/zinc/02/20/38/1141022038.db2.gz GKQDHGSHJYHNGW-UHFFFAOYSA-N -1 0 339.457 3.540 20 0 EHADRM CO[C@H]1CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])C1 ZINC000269372577 1141100365 /nfs/dbraw/zinc/10/03/65/1141100365.db2.gz WVMSBLKPZXUNBC-AWEZNQCLSA-N -1 0 331.799 3.574 20 0 EHADRM O=C(C[C@@H]1CCCCO1)Nc1cc(Br)cc(Cl)c1[O-] ZINC000270673893 1141255362 /nfs/dbraw/zinc/25/53/62/1141255362.db2.gz RWRTWNNPUMRTLK-VIFPVBQESA-N -1 0 348.624 3.706 20 0 EHADRM COc1cc(/C=C\c2nc(C(=O)[O-])c(C)s2)cc(Cl)c1OC ZINC000339114571 1141501307 /nfs/dbraw/zinc/50/13/07/1141501307.db2.gz QWTCAXNHKRYETI-PLNGDYQASA-N -1 0 339.800 3.991 20 0 EHADRM Cc1cc(C)n(-c2ccccc2NC(=O)c2s[n-]c(=O)c2Cl)n1 ZINC000339237812 1141537160 /nfs/dbraw/zinc/53/71/60/1141537160.db2.gz SCVLPKZBPPKEAQ-UHFFFAOYSA-N -1 0 348.815 3.557 20 0 EHADRM O=C(N[C@@H]1CCSc2c(F)cccc21)c1s[n-]c(=O)c1Cl ZINC000339250245 1141540558 /nfs/dbraw/zinc/54/05/58/1141540558.db2.gz ZVTPBHPIUZSCKG-MRVPVSSYSA-N -1 0 344.820 3.608 20 0 EHADRM C[C@@H]1CCc2c(sc3ncnc(NCCCCCC(=O)[O-])c32)C1 ZINC000020311392 212117837 /nfs/dbraw/zinc/11/78/37/212117837.db2.gz STLLFLNDDHRNHY-LLVKDONJSA-N -1 0 333.457 3.873 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2C)s1 ZINC000020255872 212114647 /nfs/dbraw/zinc/11/46/47/212114647.db2.gz SGNORONBOGDKKP-UHFFFAOYSA-N -1 0 346.271 3.928 20 0 EHADRM O=C([O-])c1cccc(OCc2cc(Br)ccc2F)c1 ZINC000019803715 212071096 /nfs/dbraw/zinc/07/10/96/212071096.db2.gz FKAMMVLXZIHWSD-UHFFFAOYSA-N -1 0 325.133 3.865 20 0 EHADRM O=C([O-])c1ccc(OCc2ccc(F)cc2Br)cc1 ZINC000013414354 211555509 /nfs/dbraw/zinc/55/55/09/211555509.db2.gz GSNFJQQQAGLGTR-UHFFFAOYSA-N -1 0 325.133 3.865 20 0 EHADRM CC(C)(C)CCC(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000140242299 518632194 /nfs/dbraw/zinc/63/21/94/518632194.db2.gz KGTZWVGCEVSGGV-UHFFFAOYSA-N -1 0 327.371 3.594 20 0 EHADRM O=S(=O)(c1cccc(Cl)c1[O-])N(CC1CC1)c1ccccc1 ZINC000436479950 569966338 /nfs/dbraw/zinc/96/63/38/569966338.db2.gz XYHGLBLDQMCXHC-UHFFFAOYSA-N -1 0 337.828 3.651 20 0 EHADRM C[C@@H](c1ccco1)N(C(=O)Nc1ccccc1CC(=O)[O-])C1CC1 ZINC000818070900 596959624 /nfs/dbraw/zinc/95/96/24/596959624.db2.gz CFHNYBCGOPHSNZ-LBPRGKRZSA-N -1 0 328.368 3.664 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000054296537 597049058 /nfs/dbraw/zinc/04/90/58/597049058.db2.gz ASFBCTXXJWCOBK-SECBINFHSA-N -1 0 331.199 3.712 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2cccc3ccccc32)C1 ZINC000676218499 597093848 /nfs/dbraw/zinc/09/38/48/597093848.db2.gz PXGZIDIULBQNSW-JVPBZIDWSA-N -1 0 337.419 3.657 20 0 EHADRM CN(Cc1cccc(Cl)c1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000321322415 597197309 /nfs/dbraw/zinc/19/73/09/597197309.db2.gz OOUBOXVYWVAMQN-UHFFFAOYSA-N -1 0 332.787 3.631 20 0 EHADRM CCN(Cc1c(F)cccc1F)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737852294 597199291 /nfs/dbraw/zinc/19/92/91/597199291.db2.gz VJPDUBBCKWSMKJ-UHFFFAOYSA-N -1 0 348.349 3.646 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N[C@H]2CCc3c2cccc3Cl)c1 ZINC000738625306 597200352 /nfs/dbraw/zinc/20/03/52/597200352.db2.gz WRVDOZQIEMEUEF-INIZCTEOSA-N -1 0 344.798 3.776 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1)C(=O)[O-] ZINC000818293191 597208528 /nfs/dbraw/zinc/20/85/28/597208528.db2.gz BULYTVXYKSERTP-CYBMUJFWSA-N -1 0 349.774 3.512 20 0 EHADRM CC[C@@H](NC(=O)Nc1cccc(COC(C)(C)CC)c1C)C(=O)[O-] ZINC000818293649 597211496 /nfs/dbraw/zinc/21/14/96/597211496.db2.gz UVBLODTXFMNTKU-CQSZACIVSA-N -1 0 336.432 3.685 20 0 EHADRM C[C@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccc(Cl)s1 ZINC000387062457 597213478 /nfs/dbraw/zinc/21/34/78/597213478.db2.gz RZTHVNFWPRGCIE-VIFPVBQESA-N -1 0 338.816 3.660 20 0 EHADRM CC(C)(C)c1nc(C[S@](=O)Cc2ccc(C(=O)[O-])cc2)cs1 ZINC000817818151 597285394 /nfs/dbraw/zinc/28/53/94/597285394.db2.gz HTYIVWYIJZKMCB-JOCHJYFZSA-N -1 0 337.466 3.588 20 0 EHADRM O=C([O-])c1ccc(C[S@@](=O)Cc2ccccc2C(F)(F)F)cc1 ZINC000819687693 597285529 /nfs/dbraw/zinc/28/55/29/597285529.db2.gz WTVINVDSWCZQOW-HSZRJFAPSA-N -1 0 342.338 3.853 20 0 EHADRM Cc1nnc(SCc2ccc(C(=O)[O-])cc2)n1Cc1ccccc1 ZINC000013236888 597301420 /nfs/dbraw/zinc/30/14/20/597301420.db2.gz LMVFBIBTJHJECW-UHFFFAOYSA-N -1 0 339.420 3.625 20 0 EHADRM CC(C)(NC(=O)Nc1ccccc1CC(=O)[O-])c1ccc(F)cc1 ZINC000817842070 597332744 /nfs/dbraw/zinc/33/27/44/597332744.db2.gz NOZKGRROEIYCTO-UHFFFAOYSA-N -1 0 330.359 3.510 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)Nc1ccccc1CC(=O)[O-])C1CC1 ZINC000818958979 597335195 /nfs/dbraw/zinc/33/51/95/597335195.db2.gz UZFUSIQULGJHRJ-LJQANCHMSA-N -1 0 338.407 3.895 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000819609529 597335498 /nfs/dbraw/zinc/33/54/98/597335498.db2.gz KKUZRGAYLWAQNQ-SQWLQELKSA-N -1 0 330.428 3.794 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000819609528 597335522 /nfs/dbraw/zinc/33/55/22/597335522.db2.gz KKUZRGAYLWAQNQ-OFQRWUPVSA-N -1 0 330.428 3.794 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N[C@@H](c1cccs1)C1CC1 ZINC000819609451 597337086 /nfs/dbraw/zinc/33/70/86/597337086.db2.gz JBWCVKQJNCSEOY-MRXNPFEDSA-N -1 0 330.409 3.648 20 0 EHADRM O=C([O-])C1CCN(Cn2c(-c3ccccc3)csc2=S)CC1 ZINC000819287454 597444933 /nfs/dbraw/zinc/44/49/33/597444933.db2.gz YMJZKHVXEAPDOF-UHFFFAOYSA-N -1 0 334.466 3.700 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(C)c1)c1c(C)noc1C ZINC000820278001 597480826 /nfs/dbraw/zinc/48/08/26/597480826.db2.gz DCIRHDSYVGTUIO-AWEZNQCLSA-N -1 0 331.372 3.571 20 0 EHADRM COc1ccc2sc(C(=O)NC3CCC(C(=O)[O-])CC3)c(C)c2c1 ZINC000262102196 598143732 /nfs/dbraw/zinc/14/37/32/598143732.db2.gz MCABKKWXXYCXPM-UHFFFAOYSA-N -1 0 347.436 3.592 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)cc1 ZINC000238014864 598154189 /nfs/dbraw/zinc/15/41/89/598154189.db2.gz RJGIMKYOTLKCHZ-UHFFFAOYSA-N -1 0 346.386 3.796 20 0 EHADRM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)NCCCCC(=O)[O-] ZINC000669501111 598169376 /nfs/dbraw/zinc/16/93/76/598169376.db2.gz KKINFYVCEMLEAU-HNNXBMFYSA-N -1 0 347.459 3.750 20 0 EHADRM CCOC(=O)N(C)c1ccc(NCc2cccc(C(=O)[O-])c2)cc1 ZINC000820369094 598202853 /nfs/dbraw/zinc/20/28/53/598202853.db2.gz NWOWEXIOXDZIPK-UHFFFAOYSA-N -1 0 328.368 3.590 20 0 EHADRM CC(C)[C@@H](C)N(C)C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000390312285 599703691 /nfs/dbraw/zinc/70/36/91/599703691.db2.gz GHWUWAFHVYJEGI-SECBINFHSA-N -1 0 332.322 3.912 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000738121591 599705143 /nfs/dbraw/zinc/70/51/43/599705143.db2.gz RKIBPUDCCUQSGW-NLYDNYMLSA-N -1 0 330.336 3.694 20 0 EHADRM CCCC[C@@H](C(=O)[O-])N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000736975438 599705726 /nfs/dbraw/zinc/70/57/26/599705726.db2.gz UOKYWLMBJFHERG-ZDUSSCGKSA-N -1 0 347.242 3.507 20 0 EHADRM C[C@H](CN(C)C(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccccc1 ZINC000736568491 599710353 /nfs/dbraw/zinc/71/03/53/599710353.db2.gz AZDHWJSRHVIPDD-GFCCVEGCSA-N -1 0 330.359 3.791 20 0 EHADRM Cc1cc(C(=O)Nc2ccsc2C(=O)[O-])cc(C)c1OC(F)F ZINC000738339689 599712935 /nfs/dbraw/zinc/71/29/35/599712935.db2.gz WGOLZANXFGDVCH-UHFFFAOYSA-N -1 0 341.335 3.917 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)NCCCc2ccccc2)ccc1F ZINC000740008512 599716396 /nfs/dbraw/zinc/71/63/96/599716396.db2.gz OOYMJSBLXVEOLY-UHFFFAOYSA-N -1 0 331.347 3.670 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N2CCc3ccccc3C2)ccc1F ZINC000740004408 599716500 /nfs/dbraw/zinc/71/65/00/599716500.db2.gz ATNBVGHPWAJCAV-UHFFFAOYSA-N -1 0 329.331 3.506 20 0 EHADRM Cc1ccc(N(Cc2cccs2)C(=O)CCCNC(=O)[O-])cc1 ZINC000738608417 599718410 /nfs/dbraw/zinc/71/84/10/599718410.db2.gz NVKPNCYKFQSCLR-UHFFFAOYSA-N -1 0 332.425 3.638 20 0 EHADRM CC(C)N(C(=O)CCNC(=O)[O-])c1ccc(Nc2ccccc2)cc1 ZINC000736453439 599725043 /nfs/dbraw/zinc/72/50/43/599725043.db2.gz DNNBLFYUXKQIMK-UHFFFAOYSA-N -1 0 341.411 3.829 20 0 EHADRM CCc1cccc2c1OCC[C@@H]2NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000737273068 599736310 /nfs/dbraw/zinc/73/63/10/599736310.db2.gz WMCGDBBMHXHRFO-INIZCTEOSA-N -1 0 340.379 3.593 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)Cc2c[nH]c3cc(Cl)ccc23)cc1 ZINC000739883120 599745011 /nfs/dbraw/zinc/74/50/11/599745011.db2.gz FKKSROAAYBXNLL-UHFFFAOYSA-N -1 0 343.766 3.597 20 0 EHADRM CC(C)(C)c1ccc([C@H]2CCCN2C(=O)CCSCC(=O)[O-])cc1 ZINC000736298873 599747639 /nfs/dbraw/zinc/74/76/39/599747639.db2.gz WIALHYPMMZBXQI-MRXNPFEDSA-N -1 0 349.496 3.856 20 0 EHADRM CC(C)(C)c1ccc([C@H]2CCCN2C(=O)CCCNC(=O)[O-])cc1 ZINC000736297887 599747645 /nfs/dbraw/zinc/74/76/45/599747645.db2.gz KJHUEKFNNUSMGD-MRXNPFEDSA-N -1 0 332.444 3.695 20 0 EHADRM C[C@H](OC(=O)c1ccccc1OCC1CC1)c1ccc(C(=O)[O-])o1 ZINC000736695672 599747739 /nfs/dbraw/zinc/74/77/39/599747739.db2.gz DXVLWHBQUKHLOL-NSHDSACASA-N -1 0 330.336 3.685 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)cc1 ZINC000236959699 599748002 /nfs/dbraw/zinc/74/80/02/599748002.db2.gz PYMADUYKZHSVTN-LLVKDONJSA-N -1 0 337.379 3.566 20 0 EHADRM CC(C)Cc1ccc([C@H](NC(=O)CCCN(C)C(=O)[O-])C2CC2)cc1 ZINC000736452821 599748319 /nfs/dbraw/zinc/74/83/19/599748319.db2.gz GZQFISNCMFVOBY-IBGZPJMESA-N -1 0 346.471 3.842 20 0 EHADRM O=C([O-])CC1CCN(C(=O)[C@H]2C[C@H]2c2cccc3ccccc32)CC1 ZINC000262073564 599749792 /nfs/dbraw/zinc/74/97/92/599749792.db2.gz FVTZWADUZXDGDO-OALUTQOASA-N -1 0 337.419 3.657 20 0 EHADRM Cc1cc(CN(Cc2ccco2)Cc2ccc(O)cc2)oc1C(=O)[O-] ZINC000738381666 599761415 /nfs/dbraw/zinc/76/14/15/599761415.db2.gz AXFMSDNOHYBSOX-UHFFFAOYSA-N -1 0 341.363 3.787 20 0 EHADRM Cc1ccc2c(CC(=O)N3CCCc4c(C(=O)[O-])cccc43)c[nH]c2c1 ZINC000738667740 599764301 /nfs/dbraw/zinc/76/43/01/599764301.db2.gz QCUNXWIMSQEQQE-UHFFFAOYSA-N -1 0 348.402 3.696 20 0 EHADRM Cc1nc(-c2ccco2)ccc1C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000738838029 599765289 /nfs/dbraw/zinc/76/52/89/599765289.db2.gz KVWYYUUYCCDXMQ-UHFFFAOYSA-N -1 0 337.335 3.992 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1 ZINC000238052879 599768107 /nfs/dbraw/zinc/76/81/07/599768107.db2.gz IQGQQPKQLFVFQM-UHFFFAOYSA-N -1 0 336.347 3.611 20 0 EHADRM Cc1nc2ccc(C(=O)Nc3ccc(CCC(=O)[O-])cc3)cc2nc1C ZINC000532615028 599768591 /nfs/dbraw/zinc/76/85/91/599768591.db2.gz GENDKDPUWYPNIA-UHFFFAOYSA-N -1 0 349.390 3.516 20 0 EHADRM Cc1cccc(C)c1OCCC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000326991373 599769709 /nfs/dbraw/zinc/76/97/09/599769709.db2.gz YJKHGJAYUCKLKG-UHFFFAOYSA-N -1 0 341.407 3.728 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)CCOc2cccc(Cl)c2)cc1 ZINC000238027463 599769851 /nfs/dbraw/zinc/76/98/51/599769851.db2.gz DZFAIDGTXCAPNN-UHFFFAOYSA-N -1 0 347.798 3.765 20 0 EHADRM C[C@H]1Cc2ccccc2N(C(=O)Cn2cc(C(=O)[O-])c3ccccc32)C1 ZINC000736824802 599773829 /nfs/dbraw/zinc/77/38/29/599773829.db2.gz IPTLHBBUKSKWJB-AWEZNQCLSA-N -1 0 348.402 3.565 20 0 EHADRM CCCC[C@H]1CCC[C@H]1NC(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC000736986088 599781667 /nfs/dbraw/zinc/78/16/67/599781667.db2.gz STGCHMFDDBRKBS-GOEBONIOSA-N -1 0 348.443 3.552 20 0 EHADRM O=C([O-])[C@@H](NCc1csc(Cc2ccccc2)n1)c1ccccc1 ZINC000739506254 599782146 /nfs/dbraw/zinc/78/21/46/599782146.db2.gz WYSBPXBOUZKRKF-SFHVURJKSA-N -1 0 338.432 3.649 20 0 EHADRM Cc1c(Cl)cc(NC(=O)c2ccc(C(=O)[O-])nc2)cc1Cl ZINC000728167263 599784133 /nfs/dbraw/zinc/78/41/33/599784133.db2.gz VYRHOOLEVJNTOC-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM O=C([O-])CCCCNC(=O)N1Cc2ccccc2-c2ccccc2C1 ZINC000666557915 599788065 /nfs/dbraw/zinc/78/80/65/599788065.db2.gz CJMAKFIDANCGKE-UHFFFAOYSA-N -1 0 338.407 3.634 20 0 EHADRM Cc1nc([C@H](C)NC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cs1 ZINC000738351151 599793550 /nfs/dbraw/zinc/79/35/50/599793550.db2.gz ZCKSSZAHFJXXMW-ZETCQYMHSA-N -1 0 339.804 3.686 20 0 EHADRM O=C([O-])COc1cccc(C(=O)O[C@@H]2CCc3ccc(Cl)cc32)c1 ZINC000739830917 599793652 /nfs/dbraw/zinc/79/36/52/599793652.db2.gz FEJHWZRXDGWYBD-MRXNPFEDSA-N -1 0 346.766 3.648 20 0 EHADRM Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)CCC(=O)[O-] ZINC000179078454 599798494 /nfs/dbraw/zinc/79/84/94/599798494.db2.gz GIBIOPNZGOVBCM-UHFFFAOYSA-N -1 0 331.343 3.516 20 0 EHADRM O=C([O-])c1ccc(C(=O)O[C@@H](c2ccccc2)c2ccccn2)s1 ZINC000740120713 599799018 /nfs/dbraw/zinc/79/90/18/599799018.db2.gz KGAJERJAMWRTSL-INIZCTEOSA-N -1 0 339.372 3.788 20 0 EHADRM O=C([O-])c1sccc1NC(=O)c1csc(-c2ccc(F)cc2)n1 ZINC000739488146 599804809 /nfs/dbraw/zinc/80/48/09/599804809.db2.gz LKZFJDMCURQXRP-UHFFFAOYSA-N -1 0 348.380 3.961 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)C[C@H]1CCCc2ccccc21 ZINC000740190302 599812831 /nfs/dbraw/zinc/81/28/31/599812831.db2.gz ZUAXSVFFWJXUJE-OAHLLOKOSA-N -1 0 335.403 3.784 20 0 EHADRM C[C@@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)C(C)(C)c1ccccc1 ZINC000736648532 599814814 /nfs/dbraw/zinc/81/48/14/599814814.db2.gz ZLMHNDZNQOJFMX-CQSZACIVSA-N -1 0 340.423 3.550 20 0 EHADRM CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000736375910 599815103 /nfs/dbraw/zinc/81/51/03/599815103.db2.gz LQZJSORIUGGXRN-MRXNPFEDSA-N -1 0 326.352 3.817 20 0 EHADRM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H](NC(=O)[O-])C(C)C ZINC000737106679 599818979 /nfs/dbraw/zinc/81/89/79/599818979.db2.gz UVVZUJDRCPPOPN-CYBMUJFWSA-N -1 0 347.242 3.634 20 0 EHADRM Cc1cccc2c1CC[C@H]2NC(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000738311036 599820615 /nfs/dbraw/zinc/82/06/15/599820615.db2.gz NXFIDNYFVZTNID-QGZVFWFLSA-N -1 0 339.395 3.918 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N2CC[C@H](c3ccccc3)C2)cc1 ZINC000326954024 599824699 /nfs/dbraw/zinc/82/46/99/599824699.db2.gz KJMOVOQDEWKAMU-KRWDZBQOSA-N -1 0 338.407 3.725 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)NCC2(c3ccccc3)CC2)cc1 ZINC000739761371 599827707 /nfs/dbraw/zinc/82/77/07/599827707.db2.gz UOURWINIVPEIEU-UHFFFAOYSA-N -1 0 338.407 3.557 20 0 EHADRM Cc1oc(-c2ccccc2)nc1COC(=O)c1ccccc1C(=O)[O-] ZINC000738956332 599828702 /nfs/dbraw/zinc/82/87/02/599828702.db2.gz IDTVIGQBCAFAPQ-UHFFFAOYSA-N -1 0 337.331 3.705 20 0 EHADRM CC(C)Oc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000736493775 599837207 /nfs/dbraw/zinc/83/72/07/599837207.db2.gz FQSNAIVVJIIKQV-UHFFFAOYSA-N -1 0 346.358 3.633 20 0 EHADRM O=C([O-])c1ccccc1CSc1nnc(Cc2cccs2)o1 ZINC000740240607 599838814 /nfs/dbraw/zinc/83/88/14/599838814.db2.gz WJJDGLLNGQNUDF-UHFFFAOYSA-N -1 0 332.406 3.712 20 0 EHADRM CN(CCCC(=O)Oc1ccc(OCc2ccccc2)cc1)C(=O)[O-] ZINC000737438526 599838978 /nfs/dbraw/zinc/83/89/78/599838978.db2.gz UKRGOUVXINHINK-UHFFFAOYSA-N -1 0 343.379 3.561 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cc2ccccc2C(F)(F)F)s1 ZINC000739344541 599840143 /nfs/dbraw/zinc/84/01/43/599840143.db2.gz BIGOZRKIWSVAAY-UHFFFAOYSA-N -1 0 329.299 3.646 20 0 EHADRM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000390610506 599846493 /nfs/dbraw/zinc/84/64/93/599846493.db2.gz IIPRMOSZLZJRQR-SECBINFHSA-N -1 0 337.734 3.583 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)/C=C\c2cccs2)cc1 ZINC000588388159 599849134 /nfs/dbraw/zinc/84/91/34/599849134.db2.gz BXVAVNZCQLAWSV-CDNLZTBQSA-N -1 0 347.461 3.815 20 0 EHADRM Cc1ccccc1OCCCOC(=O)c1ccccc1NC(=O)[O-] ZINC000738785540 599866976 /nfs/dbraw/zinc/86/69/76/599866976.db2.gz WYGHBSIETHJOGK-UHFFFAOYSA-N -1 0 329.352 3.711 20 0 EHADRM CN(CCCC(=O)OCc1ccccc1Oc1ccccc1)C(=O)[O-] ZINC000737438302 599873868 /nfs/dbraw/zinc/87/38/68/599873868.db2.gz JYLFGXVEKYHAFZ-UHFFFAOYSA-N -1 0 343.379 3.912 20 0 EHADRM O=C([O-])c1coc(COC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000739341314 599877919 /nfs/dbraw/zinc/87/79/19/599877919.db2.gz JXTFSLGHMMPQSU-UHFFFAOYSA-N -1 0 329.135 3.571 20 0 EHADRM Cc1cccc(COc2ccc(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])c(C)c2)c1 ZINC000262568864 599885590 /nfs/dbraw/zinc/88/55/90/599885590.db2.gz BZQPYWRVNHZFRP-IRXDYDNUSA-N -1 0 339.391 3.542 20 0 EHADRM CCC(CC)N(CCOC)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000321577136 599886101 /nfs/dbraw/zinc/88/61/01/599886101.db2.gz OMUZWUKKQCCGMH-UHFFFAOYSA-N -1 0 342.823 3.707 20 0 EHADRM CC(C)(C)Cc1nc2cc(NC(=S)NCCCC(=O)[O-])ccc2o1 ZINC000736260232 599887277 /nfs/dbraw/zinc/88/72/77/599887277.db2.gz DDIPNFYNLZYMFO-UHFFFAOYSA-N -1 0 349.456 3.568 20 0 EHADRM O=C([O-])c1ccc(C(=O)O[C@@H](c2ccccc2)c2cccnc2)s1 ZINC000740121961 599890533 /nfs/dbraw/zinc/89/05/33/599890533.db2.gz WJFVNTTVDNBHQP-INIZCTEOSA-N -1 0 339.372 3.788 20 0 EHADRM O=C([O-])CSCCNc1ncnc2sc(-c3ccccc3)cc21 ZINC000739867212 599893751 /nfs/dbraw/zinc/89/37/51/599893751.db2.gz FQAUHZXXEBZBBD-UHFFFAOYSA-N -1 0 345.449 3.588 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N[C@H](c2ccccc2)c2ccccn2)c1 ZINC000740030044 599897109 /nfs/dbraw/zinc/89/71/09/599897109.db2.gz VLDUMQLBFJJBEJ-GOSISDBHSA-N -1 0 347.374 3.691 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)NC[C@H](C)c1c(Cl)cccc1Cl ZINC000736593983 599898091 /nfs/dbraw/zinc/89/80/91/599898091.db2.gz ZKOAZSHLYAQUSD-ZANVPECISA-N -1 0 347.242 3.505 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)OCc2cc3c(c(Cl)c2)OCO3)c1 ZINC000740039625 599898194 /nfs/dbraw/zinc/89/81/94/599898194.db2.gz OITIMFAOLAWGKC-UHFFFAOYSA-N -1 0 349.726 3.516 20 0 EHADRM Cc1ncc(-c2ccc(NC(=O)c3cccc(NC(=O)[O-])c3)cc2)o1 ZINC000738882507 599901667 /nfs/dbraw/zinc/90/16/67/599901667.db2.gz YRKUWMSDHSRQEI-UHFFFAOYSA-N -1 0 337.335 3.992 20 0 EHADRM COCCN(C(=O)c1cccc(NC(=O)[O-])c1)[C@H](C)c1ccccc1 ZINC000737765910 599903382 /nfs/dbraw/zinc/90/33/82/599903382.db2.gz XDWOQJOSEQNDRP-CQSZACIVSA-N -1 0 342.395 3.626 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2ccc(OC(F)F)c(F)c2)c1 ZINC000740034208 599907140 /nfs/dbraw/zinc/90/71/40/599907140.db2.gz UAKJEQWVYCKMMD-UHFFFAOYSA-N -1 0 340.257 3.769 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2CCCc3cc(F)cc(F)c32)c1 ZINC000740026806 599907262 /nfs/dbraw/zinc/90/72/62/599907262.db2.gz DTLVFPCXURZZJI-UHFFFAOYSA-N -1 0 332.306 3.648 20 0 EHADRM CNC(=O)c1ccc(OCc2c3ccccc3sc2C(=O)[O-])cc1 ZINC000737547255 599908399 /nfs/dbraw/zinc/90/83/99/599908399.db2.gz RQCWRTXGXXASOE-UHFFFAOYSA-N -1 0 341.388 3.538 20 0 EHADRM C[C@H](CC(=O)N[C@H](CC(=O)[O-])c1cccs1)c1ccccc1F ZINC000237399166 599912720 /nfs/dbraw/zinc/91/27/20/599912720.db2.gz OLQGLTJVBUQFCT-BXUZGUMPSA-N -1 0 335.400 3.713 20 0 EHADRM C[C@@H](CC(=O)N(CCC(=O)[O-])Cc1ccccc1)c1ccccc1F ZINC000675947243 599912991 /nfs/dbraw/zinc/91/29/91/599912991.db2.gz WBXXAOLBQRZIGQ-HNNXBMFYSA-N -1 0 343.398 3.823 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1 ZINC000485671437 599913775 /nfs/dbraw/zinc/91/37/75/599913775.db2.gz YHBRMKACCMIHAW-UONOGXRCSA-N -1 0 333.746 3.805 20 0 EHADRM Cc1cc(NC(=O)CCCOc2ccccc2F)ccc1C(=O)[O-] ZINC000237699110 599914203 /nfs/dbraw/zinc/91/42/03/599914203.db2.gz PSDZDZAENFKMTB-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM CCn1cc(CC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c2ccccc21 ZINC000236947632 599914814 /nfs/dbraw/zinc/91/48/14/599914814.db2.gz GZDKYOCAOUAFHY-UHFFFAOYSA-N -1 0 336.391 3.849 20 0 EHADRM Cc1cc(NC(=O)c2ccccc2OCC2CC2)ccc1C(=O)[O-] ZINC000237828380 599915363 /nfs/dbraw/zinc/91/53/63/599915363.db2.gz QVJRYHSJWQEUIH-UHFFFAOYSA-N -1 0 325.364 3.734 20 0 EHADRM COc1ccc(C2(C(=O)Nc3ccc(C(=O)[O-])c(C)c3)CCC2)cc1 ZINC000737972912 599915372 /nfs/dbraw/zinc/91/53/72/599915372.db2.gz PBFIKTOBNIHAPB-UHFFFAOYSA-N -1 0 339.391 3.762 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)NCC1(c2ccccc2)CCCCCC1 ZINC000736365919 599917182 /nfs/dbraw/zinc/91/71/82/599917182.db2.gz ANBNWUDYFBRJSR-KRWDZBQOSA-N -1 0 346.471 3.687 20 0 EHADRM Cc1cc(NC(=O)c2nc(Cl)ccc2Cl)ccc1C(=O)[O-] ZINC000230344898 599917313 /nfs/dbraw/zinc/91/73/13/599917313.db2.gz AGSOAOLTPUSMNA-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM Cc1cc(NC(=O)c2ccc(Br)s2)ccc1C(=O)[O-] ZINC000044749825 599917498 /nfs/dbraw/zinc/91/74/98/599917498.db2.gz MHOIWEFCIFZWPT-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)c2csc(C3CC3)n2)c1 ZINC000123485268 599919923 /nfs/dbraw/zinc/91/99/23/599919923.db2.gz DCTDJWGAIPUULW-UHFFFAOYSA-N -1 0 348.449 3.591 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)c2c(F)cccc2F)c1 ZINC000238073771 599921128 /nfs/dbraw/zinc/92/11/28/599921128.db2.gz AEJPLZMOZAOFJC-UHFFFAOYSA-N -1 0 337.347 3.535 20 0 EHADRM Cc1c(C(=O)N(C[C@H](C)C(=O)[O-])C2CC2)sc2cccc(F)c12 ZINC000237478509 599921590 /nfs/dbraw/zinc/92/15/90/599921590.db2.gz PZALTNQMLDHEFQ-VIFPVBQESA-N -1 0 335.400 3.674 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000736930341 599928655 /nfs/dbraw/zinc/92/86/55/599928655.db2.gz ZXYAXFIMJLZLGB-RDJZCZTQSA-N -1 0 347.455 3.823 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)CCc1cccc(F)c1F)c1ccccc1 ZINC000139355781 599929986 /nfs/dbraw/zinc/92/99/86/599929986.db2.gz WKVZDORCZNGMPU-INIZCTEOSA-N -1 0 347.361 3.620 20 0 EHADRM CCCc1nc(C)c(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)s1 ZINC000178102235 599933056 /nfs/dbraw/zinc/93/30/56/599933056.db2.gz WKPQUYTYPSJZIK-AWEZNQCLSA-N -1 0 346.452 3.740 20 0 EHADRM CNC(=O)c1ccccc1NCc1c2ccccc2sc1C(=O)[O-] ZINC000737551271 599936376 /nfs/dbraw/zinc/93/63/76/599936376.db2.gz FOIDCGYNDOMFAT-UHFFFAOYSA-N -1 0 340.404 3.571 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)CSc1ccccc1)c1ccccc1 ZINC000193460012 599936947 /nfs/dbraw/zinc/93/69/47/599936947.db2.gz NBHZFTZLHOJSMN-MRXNPFEDSA-N -1 0 329.421 3.501 20 0 EHADRM Cc1oc(-c2ccsc2)nc1COC(=O)c1ccc(C(=O)[O-])cc1 ZINC000738957861 599943736 /nfs/dbraw/zinc/94/37/36/599943736.db2.gz PMUDVZYCORPZJH-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM O=C([O-])c1cccc(NC(=O)C[C@@H]2CCCc3ccccc32)c1O ZINC000739224254 599946697 /nfs/dbraw/zinc/94/66/97/599946697.db2.gz XGMKEKPKYIIABP-ZDUSSCGKSA-N -1 0 325.364 3.539 20 0 EHADRM Cc1nc(-c2c[nH]c(C(=O)Nc3ccc(C(=O)[O-])c(C)c3)c2)cs1 ZINC000237787463 599950165 /nfs/dbraw/zinc/95/01/65/599950165.db2.gz VMKGKOUYPPRYMB-UHFFFAOYSA-N -1 0 341.392 3.706 20 0 EHADRM COc1cc(Cl)c(C)cc1NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000243288124 599956516 /nfs/dbraw/zinc/95/65/16/599956516.db2.gz LBSJRNNBUDLYGC-UHFFFAOYSA-N -1 0 334.759 3.999 20 0 EHADRM CCc1ccc([C@H](C)NC(=O)CNc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000737258213 599960921 /nfs/dbraw/zinc/96/09/21/599960921.db2.gz YYTWIFCRDPGCBS-AWEZNQCLSA-N -1 0 340.423 3.545 20 0 EHADRM CC(C)(C)c1ccc(CCCCC(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000236583838 599968287 /nfs/dbraw/zinc/96/82/87/599968287.db2.gz ZRZZDHWYJAKNNY-QGZVFWFLSA-N -1 0 331.456 3.773 20 0 EHADRM Cc1ccc2oc(C(=O)N[C@H](C(=O)[O-])c3cc(F)ccc3F)cc2c1 ZINC000738677836 599969796 /nfs/dbraw/zinc/96/97/96/599969796.db2.gz WUYYVPWVYMYQQZ-INIZCTEOSA-N -1 0 345.301 3.575 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F)CC(C)(C)C ZINC000736541620 599971991 /nfs/dbraw/zinc/97/19/91/599971991.db2.gz NOFZTGPJHCLLON-ZUZCIYMTSA-N -1 0 327.371 3.669 20 0 EHADRM CCc1[nH]c(C(=O)N2CCCc3c(F)ccc(C)c32)c(C)c1C(=O)[O-] ZINC000737243674 599973125 /nfs/dbraw/zinc/97/31/25/599973125.db2.gz ZCCRBOGZDWKIIT-UHFFFAOYSA-N -1 0 344.386 3.624 20 0 EHADRM CCCCc1ccc(C(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000737001302 599976020 /nfs/dbraw/zinc/97/60/20/599976020.db2.gz PYBMNQUDTZYWLS-KRWDZBQOSA-N -1 0 347.361 3.863 20 0 EHADRM CC(C)[C@@H](OC(=O)c1ccc(-c2ccc(F)cc2)cc1F)C(=O)[O-] ZINC000736391848 599991533 /nfs/dbraw/zinc/99/15/33/599991533.db2.gz URVHUESIWPKIAN-MRXNPFEDSA-N -1 0 334.318 3.898 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000236904451 599992687 /nfs/dbraw/zinc/99/26/87/599992687.db2.gz NCOFYCMKIZBFFI-UHFFFAOYSA-N -1 0 332.227 3.639 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000316540309 599998074 /nfs/dbraw/zinc/99/80/74/599998074.db2.gz BMSBUVJUGVXMSO-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000325297372 600002039 /nfs/dbraw/zinc/00/20/39/600002039.db2.gz YWKCEGUBRUYLJR-UWVGGRQHSA-N -1 0 345.317 3.701 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000325297373 600002183 /nfs/dbraw/zinc/00/21/83/600002183.db2.gz YWKCEGUBRUYLJR-VHSXEESVSA-N -1 0 345.317 3.701 20 0 EHADRM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCCCCCC(=O)[O-] ZINC000237433685 600009923 /nfs/dbraw/zinc/00/99/23/600009923.db2.gz VMOXEXSZVXIFGQ-SNVBAGLBSA-N -1 0 348.226 3.522 20 0 EHADRM Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2cc(C(=O)[O-])ccc2C)s1 ZINC000738844579 600011577 /nfs/dbraw/zinc/01/15/77/600011577.db2.gz NEDHJLNWOMGOSS-NSHDSACASA-N -1 0 347.440 3.991 20 0 EHADRM CCC[C@H](NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000736971395 600013224 /nfs/dbraw/zinc/01/32/24/600013224.db2.gz CINUEXFQXRSTDW-SFHVURJKSA-N -1 0 338.407 3.951 20 0 EHADRM CCN(CCc1cccs1)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000737102161 600014466 /nfs/dbraw/zinc/01/44/66/600014466.db2.gz UWZBKXSIFUPIND-UHFFFAOYSA-N -1 0 332.425 3.851 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 ZINC000261671392 600014977 /nfs/dbraw/zinc/01/49/77/600014977.db2.gz GZYNMIDSINQSAQ-LLVKDONJSA-N -1 0 333.771 3.537 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)c2ccccc2SCc2ccco2)C1 ZINC000621539214 600016130 /nfs/dbraw/zinc/01/61/30/600016130.db2.gz CYVOTCVSBGTZKL-CYBMUJFWSA-N -1 0 345.420 3.509 20 0 EHADRM C[C@@H]1CCCN(C(=O)Nc2cccc(CSCC(=O)[O-])c2)CC1 ZINC000736789931 600019506 /nfs/dbraw/zinc/01/95/06/600019506.db2.gz RVRZSTMDHWUVTJ-CYBMUJFWSA-N -1 0 336.457 3.658 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)CCCSc2ccc(Cl)cc2)C1 ZINC000013170531 600019974 /nfs/dbraw/zinc/01/99/74/600019974.db2.gz FNYQNOYXDJLJBY-LBPRGKRZSA-N -1 0 341.860 3.536 20 0 EHADRM C[C@H](OC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)c1ccc(C(=O)[O-])o1 ZINC000736685187 600020481 /nfs/dbraw/zinc/02/04/81/600020481.db2.gz OOMQFLDTCYHAEY-JMJZKYOTSA-N -1 0 336.290 3.664 20 0 EHADRM CN(C(=O)Nc1cccc(CSCC(=O)[O-])c1)C1CCCCC1 ZINC000737330918 600020764 /nfs/dbraw/zinc/02/07/64/600020764.db2.gz UREODGHVYDCMKI-UHFFFAOYSA-N -1 0 336.457 3.801 20 0 EHADRM CC[C@H](NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)C1CCCCC1 ZINC000326348983 600021432 /nfs/dbraw/zinc/02/14/32/600021432.db2.gz NXFJOEZTHCUESK-KRWDZBQOSA-N -1 0 330.428 3.769 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1C ZINC000738549797 600022189 /nfs/dbraw/zinc/02/21/89/600022189.db2.gz BIQIUMRWNMGUGE-AWEZNQCLSA-N -1 0 338.407 3.788 20 0 EHADRM C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000736715900 600022175 /nfs/dbraw/zinc/02/21/75/600022175.db2.gz CRVLKFLBTCDSLE-LBPRGKRZSA-N -1 0 343.383 3.731 20 0 EHADRM Cc1cc(NC(=O)N(C)[C@H](C)c2cccc(O)c2)ccc1C(=O)[O-] ZINC000738438539 600022429 /nfs/dbraw/zinc/02/24/29/600022429.db2.gz YEJFUCDLRMDCMA-GFCCVEGCSA-N -1 0 328.368 3.624 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@H](C(=O)[O-])C2)sc1-c1ccc(F)cc1 ZINC000128503178 600022796 /nfs/dbraw/zinc/02/27/96/600022796.db2.gz HFNNUBQYBSRYLR-ZDUSSCGKSA-N -1 0 347.411 3.799 20 0 EHADRM COc1cc(NCc2nc3ccccc3s2)c(C(=O)[O-])cc1OC ZINC000737900027 600023167 /nfs/dbraw/zinc/02/31/67/600023167.db2.gz RPRITYPEVJCQIM-UHFFFAOYSA-N -1 0 344.392 3.624 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000680492844 600023440 /nfs/dbraw/zinc/02/34/40/600023440.db2.gz TYFKVMJFYWMBTG-UHFFFAOYSA-N -1 0 331.343 3.555 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)C2(c3ccccc3F)CCCC2)c1 ZINC000739889781 600024323 /nfs/dbraw/zinc/02/43/23/600024323.db2.gz QDGZEABJRGHEOT-UHFFFAOYSA-N -1 0 342.366 3.870 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)c2cc3cc(Cl)ccc3o2)c1 ZINC000739888060 600027624 /nfs/dbraw/zinc/02/76/24/600027624.db2.gz IYXQWPDQNZMSKC-UHFFFAOYSA-N -1 0 330.723 3.933 20 0 EHADRM CCc1ccc(NC(=S)N2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000737266802 600034020 /nfs/dbraw/zinc/03/40/20/600034020.db2.gz QGIPPMBGSDUNPP-UHFFFAOYSA-N -1 0 326.421 3.660 20 0 EHADRM Cc1ccc(F)c(NC(=S)N2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000738604422 600034044 /nfs/dbraw/zinc/03/40/44/600034044.db2.gz SBRPBYMBILLWPB-UHFFFAOYSA-N -1 0 330.384 3.545 20 0 EHADRM CC(C)COc1ccc(CC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000236671674 600034455 /nfs/dbraw/zinc/03/44/55/600034455.db2.gz ACKNPZUYOVWVSG-UHFFFAOYSA-N -1 0 327.380 3.601 20 0 EHADRM COc1ccc(C)cc1[C@H](C)NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000262588361 600034934 /nfs/dbraw/zinc/03/49/34/600034934.db2.gz HEVDDBYAHOZCSP-AWEZNQCLSA-N -1 0 341.407 3.512 20 0 EHADRM CCc1ccc([C@H](C)NC(=O)CNc2cc(C(=O)[O-])ccc2C)cc1 ZINC000737257450 600035992 /nfs/dbraw/zinc/03/59/92/600035992.db2.gz OVUKSQHNZCZGKR-AWEZNQCLSA-N -1 0 340.423 3.545 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3CCCC[C@H]3C(=O)[O-])c(F)c2)cc1 ZINC000237712070 600036832 /nfs/dbraw/zinc/03/68/32/600036832.db2.gz OHCCSEGKNMOSQW-SFHVURJKSA-N -1 0 341.382 3.880 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Nc2nc3c(s2)CCCCC3)cc1 ZINC000739260665 600037264 /nfs/dbraw/zinc/03/72/64/600037264.db2.gz SEVDMPBXRDDSMA-UHFFFAOYSA-N -1 0 344.436 3.682 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N(CCc2ccccc2)C2CC2)cc1 ZINC000740124450 600038195 /nfs/dbraw/zinc/03/81/95/600038195.db2.gz ZDQQTZKNDFWVPG-UHFFFAOYSA-N -1 0 337.419 3.551 20 0 EHADRM CC(C)Oc1ccc(NC(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000236725004 600039241 /nfs/dbraw/zinc/03/92/41/600039241.db2.gz PUKNGJFVWLKMTR-UHFFFAOYSA-N -1 0 327.380 3.743 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000736628102 600039572 /nfs/dbraw/zinc/03/95/72/600039572.db2.gz VBXRFKNPDAZHCB-ZDUSSCGKSA-N -1 0 345.826 3.718 20 0 EHADRM COc1cccc([C@H]2C[C@H]2C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000738096146 600040778 /nfs/dbraw/zinc/04/07/78/600040778.db2.gz NGJGJBAEQPNAGD-ZIAGYGMSSA-N -1 0 344.342 3.666 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)o1 ZINC000327099874 600042847 /nfs/dbraw/zinc/04/28/47/600042847.db2.gz XGXGGXRHVZMOQY-PXAZEXFGSA-N -1 0 339.391 3.576 20 0 EHADRM CCC[C@H](Cc1ccccc1)NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237029789 600043344 /nfs/dbraw/zinc/04/33/44/600043344.db2.gz LXYSFGCEZGPEFA-LJQANCHMSA-N -1 0 339.435 3.845 20 0 EHADRM Cc1ccc(-c2cc(C(=O)N3Cc4ccc(C(=O)[O-])cc4C3)on2)cc1 ZINC000738487251 600044807 /nfs/dbraw/zinc/04/48/07/600044807.db2.gz ULSQOVZATRGJFT-UHFFFAOYSA-N -1 0 348.358 3.504 20 0 EHADRM CC(C)(C)c1ccc(=O)n(Cc2c3ccccc3sc2C(=O)[O-])n1 ZINC000736296366 600056479 /nfs/dbraw/zinc/05/64/79/600056479.db2.gz AJMJUOSNPGKWGF-UHFFFAOYSA-N -1 0 342.420 3.502 20 0 EHADRM O=C([O-])c1cc(F)ccc1COc1ccc(Br)cc1 ZINC000071265295 600057689 /nfs/dbraw/zinc/05/76/89/600057689.db2.gz ADCJRMPBWXKQIN-UHFFFAOYSA-N -1 0 325.133 3.865 20 0 EHADRM O=C([O-])c1cc(F)ccc1COc1c(F)c(F)c(F)c(F)c1F ZINC000740078850 600058853 /nfs/dbraw/zinc/05/88/53/600058853.db2.gz UEJRKDDRBNLYPW-UHFFFAOYSA-N -1 0 336.187 3.798 20 0 EHADRM CC(C)(C)CCCC(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC000736248114 600061074 /nfs/dbraw/zinc/06/10/74/600061074.db2.gz AAQNRWPTSWRHJX-UHFFFAOYSA-N -1 0 335.429 3.991 20 0 EHADRM Cc1cc(C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)ccc1F ZINC000362518979 600062064 /nfs/dbraw/zinc/06/20/64/600062064.db2.gz KNVUBDCWBMMGGL-UHFFFAOYSA-N -1 0 335.762 3.515 20 0 EHADRM C/C(=C/C(=O)Nc1nc(C)c(C(=O)[O-])s1)c1ccccc1Cl ZINC000736122195 600062560 /nfs/dbraw/zinc/06/25/60/600062560.db2.gz XESJHTNTFDXGTK-FPLPWBNLSA-N -1 0 336.800 3.845 20 0 EHADRM CCSc1ccc([C@@H](C)NC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)cc1 ZINC000737229840 600075588 /nfs/dbraw/zinc/07/55/88/600075588.db2.gz RGLAQEHAKOGLDZ-LLVKDONJSA-N -1 0 346.452 3.933 20 0 EHADRM COc1cc(CN2Cc3ccc(C(=O)[O-])cc3C2)ccc1SC ZINC000659791027 600076993 /nfs/dbraw/zinc/07/69/93/600076993.db2.gz JQWCTEWCHXNPOP-UHFFFAOYSA-N -1 0 329.421 3.631 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(Cc1ccc(Br)s1)C2 ZINC000131276310 600080608 /nfs/dbraw/zinc/08/06/08/600080608.db2.gz WIFBWTUJHOGEGL-UHFFFAOYSA-N -1 0 338.226 3.725 20 0 EHADRM CCCC(=O)N1CCCc2cccc(OCc3occc3C(=O)[O-])c21 ZINC000736949687 600082971 /nfs/dbraw/zinc/08/29/71/600082971.db2.gz UYUNRYYZOBVBCJ-UHFFFAOYSA-N -1 0 343.379 3.636 20 0 EHADRM Cc1cc(C)c(OCC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c(C)c1 ZINC000738359653 600090661 /nfs/dbraw/zinc/09/06/61/600090661.db2.gz WVQKZFOSZVGLNL-UHFFFAOYSA-N -1 0 346.358 3.858 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)N[C@@H]2CCOc3ccc(F)cc32)c1 ZINC000740043854 600096848 /nfs/dbraw/zinc/09/68/48/600096848.db2.gz ZSPWUOONZYRQKH-CQSZACIVSA-N -1 0 345.330 3.561 20 0 EHADRM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000570851697 600101948 /nfs/dbraw/zinc/10/19/48/600101948.db2.gz MTVXYYWRMXMQLQ-MEDUHNTESA-N -1 0 335.787 3.766 20 0 EHADRM COc1ccccc1C/C(C)=C\C(=O)OCc1cc(C)c(C(=O)[O-])o1 ZINC000738125030 600109213 /nfs/dbraw/zinc/10/92/13/600109213.db2.gz XEATXHYZYQNRKZ-XFXZXTDPSA-N -1 0 344.363 3.527 20 0 EHADRM Cc1nn(-c2ccccc2)cc1-c1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000738901654 600110892 /nfs/dbraw/zinc/11/08/92/600110892.db2.gz ZVNIALGEVPLWQW-UHFFFAOYSA-N -1 0 346.346 3.596 20 0 EHADRM Cc1c(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)cnn1-c1ccccc1 ZINC000738253259 600111349 /nfs/dbraw/zinc/11/13/49/600111349.db2.gz NLJXJPLJNHTTIB-UHFFFAOYSA-N -1 0 346.346 3.596 20 0 EHADRM C[C@H](Cc1nc(-c2ccc(C(=O)[O-])cc2)no1)c1ccc(F)cc1 ZINC000736630477 600113540 /nfs/dbraw/zinc/11/35/40/600113540.db2.gz WWRKBJZYUWWITL-LLVKDONJSA-N -1 0 326.327 3.920 20 0 EHADRM Cc1cc(COC(=O)C(C)(C)c2ccccc2Cl)oc1C(=O)[O-] ZINC000738391336 600117862 /nfs/dbraw/zinc/11/78/62/600117862.db2.gz AGJHDLAFVHXNLW-UHFFFAOYSA-N -1 0 336.771 3.961 20 0 EHADRM COc1cccc([C@H]2C[C@@H]2C(=O)Oc2cc(Cl)ccc2C(=O)[O-])c1 ZINC000738096188 600122211 /nfs/dbraw/zinc/12/22/11/600122211.db2.gz NPIQSKPYGLDQCQ-CABCVRRESA-N -1 0 346.766 3.756 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)N2CCC[C@H]2C2CC2)c1 ZINC000739754503 600124462 /nfs/dbraw/zinc/12/44/62/600124462.db2.gz SZXKRYSFKNNLTN-INIZCTEOSA-N -1 0 348.468 3.801 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])cc1 ZINC000236678053 600125931 /nfs/dbraw/zinc/12/59/31/600125931.db2.gz QEXLSFTYTCCOMO-UHFFFAOYSA-N -1 0 333.343 3.993 20 0 EHADRM O=C([O-])Nc1cc(NCc2nc(-c3cccs3)no2)ccc1F ZINC000740013070 600127570 /nfs/dbraw/zinc/12/75/70/600127570.db2.gz XOVMLWXDSIZGJD-UHFFFAOYSA-N -1 0 334.332 3.639 20 0 EHADRM Cc1cccc2[nH]cc(CC(=O)Oc3cc(Cl)ccc3C(=O)[O-])c21 ZINC000738747233 600129750 /nfs/dbraw/zinc/12/97/50/600129750.db2.gz PRASUBANNZIROP-UHFFFAOYSA-N -1 0 343.766 3.976 20 0 EHADRM Cc1ccc(OC(=O)c2csc(Br)c2)c(C(=O)[O-])c1 ZINC000738638656 600132790 /nfs/dbraw/zinc/13/27/90/600132790.db2.gz PNXXLJDCRFGHIT-UHFFFAOYSA-N -1 0 341.182 3.736 20 0 EHADRM Cc1ccc(OC(=O)CSCc2ccc(F)cc2)c(C(=O)[O-])c1 ZINC000738640812 600133949 /nfs/dbraw/zinc/13/39/49/600133949.db2.gz NNJOFIOBXNBAEW-UHFFFAOYSA-N -1 0 334.368 3.671 20 0 EHADRM CC(C)c1cccc(O[C@H](C(=O)NCCC(=O)[O-])c2ccccc2)c1 ZINC000262262387 600150576 /nfs/dbraw/zinc/15/05/76/600150576.db2.gz SMWNTNJIDJHLJL-IBGZPJMESA-N -1 0 341.407 3.521 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NCCCCC(=O)[O-] ZINC000237317037 600151509 /nfs/dbraw/zinc/15/15/09/600151509.db2.gz FPRMNYYENDKOJN-JTQLQIEISA-N -1 0 332.227 3.543 20 0 EHADRM CC[C@H](CC(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1)c1ccccc1 ZINC000486390429 600154242 /nfs/dbraw/zinc/15/42/42/600154242.db2.gz ZXRVNEKSFPTSEG-APWZRJJASA-N -1 0 339.435 3.863 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)c2cccc3ccccc32)C(=O)[O-])cc1 ZINC000486376277 600155738 /nfs/dbraw/zinc/15/57/38/600155738.db2.gz HZRIEOFSMFKEPO-LJQANCHMSA-N -1 0 333.387 3.746 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc(Br)c2)c(F)c1 ZINC000063008865 600167973 /nfs/dbraw/zinc/16/79/73/600167973.db2.gz CGFYNDDGMDMRQB-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM Cc1cc(NC(=O)c2sc3ccc(F)cc3c2C)c(C(=O)[O-])[nH]1 ZINC000738451652 600169799 /nfs/dbraw/zinc/16/97/99/600169799.db2.gz BLTRYPSQXACWLY-UHFFFAOYSA-N -1 0 332.356 3.936 20 0 EHADRM Cc1cc(C)cc([C@H](C)NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000738363063 600173331 /nfs/dbraw/zinc/17/33/31/600173331.db2.gz ATPXQTCAIACIKU-HNNXBMFYSA-N -1 0 340.423 3.904 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)Nc2cccc(C)c2C)C(=O)[O-])cc1 ZINC000738558560 600176492 /nfs/dbraw/zinc/17/64/92/600176492.db2.gz DBTDHYJLRIHIOU-MRXNPFEDSA-N -1 0 326.396 3.602 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)Nc2c(C)cc(C)cc2C)C(=O)[O-])cc1 ZINC000738561420 600176847 /nfs/dbraw/zinc/17/68/47/600176847.db2.gz OOXWCANWJHPSHU-QGZVFWFLSA-N -1 0 340.423 3.910 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)Nc2ccc(Cl)cc2C)C(=O)[O-])cc1 ZINC000738561002 600176850 /nfs/dbraw/zinc/17/68/50/600176850.db2.gz OOUNTFWBDUHBEH-OAHLLOKOSA-N -1 0 346.814 3.947 20 0 EHADRM CCN(C(=O)c1cc(Cl)nc(Cl)c1)c1ccccc1C(=O)[O-] ZINC000737057505 600178634 /nfs/dbraw/zinc/17/86/34/600178634.db2.gz GBYMHBGGKTVCTQ-UHFFFAOYSA-N -1 0 339.178 3.753 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000736762497 600184252 /nfs/dbraw/zinc/18/42/52/600184252.db2.gz KXCCVIHLINNHIU-KEYYUXOJSA-N -1 0 340.423 3.519 20 0 EHADRM CCC[C@@H](C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000236842817 600187548 /nfs/dbraw/zinc/18/75/48/600187548.db2.gz ZFRVXFOALDRXAO-MRXNPFEDSA-N -1 0 342.351 3.815 20 0 EHADRM O=C([O-])CCCc1nc(CS[C@@H]2CCCc3ccccc32)no1 ZINC000739701421 600187678 /nfs/dbraw/zinc/18/76/78/600187678.db2.gz DKPYMRXUEMMETK-CQSZACIVSA-N -1 0 332.425 3.788 20 0 EHADRM Cc1cc(C)cc(NC(=S)N2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000738364451 600188847 /nfs/dbraw/zinc/18/88/47/600188847.db2.gz QWWQAXBQLIZONK-OAHLLOKOSA-N -1 0 326.421 3.689 20 0 EHADRM Cc1ccc(NC(=S)N2C[C@H](C(=O)[O-])c3ccccc32)cc1C ZINC000738628396 600188907 /nfs/dbraw/zinc/18/89/07/600188907.db2.gz QTCXSAKIXGXFCB-HNNXBMFYSA-N -1 0 326.421 3.689 20 0 EHADRM CC(=O)c1ccc(C(=O)Oc2cc3ccccc3cc2C(=O)[O-])cc1 ZINC000736192193 600190689 /nfs/dbraw/zinc/19/06/89/600190689.db2.gz KHQQXKYCJZZYNF-UHFFFAOYSA-N -1 0 334.327 3.960 20 0 EHADRM O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)CC[C@@H]1CCCCO1 ZINC000325703617 600194960 /nfs/dbraw/zinc/19/49/60/600194960.db2.gz VGZKMXLRCXFEOJ-NSHDSACASA-N -1 0 345.317 3.691 20 0 EHADRM O=C([O-])CN(C(=O)CCCCC(=O)c1ccccc1)c1ccccc1 ZINC000156358779 600197519 /nfs/dbraw/zinc/19/75/19/600197519.db2.gz MHHXORWJMTZQLT-UHFFFAOYSA-N -1 0 339.391 3.548 20 0 EHADRM Cc1[nH]c(C(=O)N[C@@H](C)c2ccc(F)cc2Cl)c(C)c1C(=O)[O-] ZINC000738156450 600198466 /nfs/dbraw/zinc/19/84/66/600198466.db2.gz RZKSHKKHWMNPJH-QMMMGPOBSA-N -1 0 338.766 3.613 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000261816770 600199548 /nfs/dbraw/zinc/19/95/48/600199548.db2.gz GWPOMKTUGALRHC-PSASIEDQSA-N -1 0 333.281 3.831 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2cnc3ccccc3c2O)c1 ZINC000325393007 600202150 /nfs/dbraw/zinc/20/21/50/600202150.db2.gz DDMKHBIZKNKARP-UHFFFAOYSA-N -1 0 342.738 3.544 20 0 EHADRM Cc1ccccc1[C@H]1NC(=O)N(Cc2cccs2)C(C)=C1C(=O)[O-] ZINC000736751115 600205970 /nfs/dbraw/zinc/20/59/70/600205970.db2.gz PDDJAFRBGZTPTN-MRXNPFEDSA-N -1 0 342.420 3.682 20 0 EHADRM Cc1ccccc1[C@@H]1NC(=O)N(Cc2cccs2)C(C)=C1C(=O)[O-] ZINC000736751114 600206052 /nfs/dbraw/zinc/20/60/52/600206052.db2.gz PDDJAFRBGZTPTN-INIZCTEOSA-N -1 0 342.420 3.682 20 0 EHADRM Cc1cc(OCc2nc(-c3cccc(C)c3)no2)c(C(=O)[O-])s1 ZINC000738681074 600207152 /nfs/dbraw/zinc/20/71/52/600207152.db2.gz PSHIBCLERDIQEE-UHFFFAOYSA-N -1 0 330.365 3.692 20 0 EHADRM CCc1[nH]c(C(=O)N2CCC[C@H](C(C)(C)C)CC2)c(C)c1C(=O)[O-] ZINC000737242351 600210035 /nfs/dbraw/zinc/21/00/35/600210035.db2.gz QTQYRQGZTGOOLS-ZDUSSCGKSA-N -1 0 334.460 3.872 20 0 EHADRM O=C([O-])CC1CCN(c2ccnc3cc(Br)ccc32)CC1 ZINC000739643415 600214413 /nfs/dbraw/zinc/21/44/13/600214413.db2.gz UXMOVQXGLXLREA-UHFFFAOYSA-N -1 0 349.228 3.688 20 0 EHADRM CC(C)c1ccccc1NC(=O)CN(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000736523388 600217238 /nfs/dbraw/zinc/21/72/38/600217238.db2.gz OCKJCSXYEBDUCP-IBGZPJMESA-N -1 0 340.423 3.506 20 0 EHADRM Cc1oc(CN2CCSC[C@@H]2c2ccc(C)cc2)cc1C(=O)[O-] ZINC000579602435 600217997 /nfs/dbraw/zinc/21/79/97/600217997.db2.gz DCGLLMIRQMTLBC-QGZVFWFLSA-N -1 0 331.437 3.885 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2ccc(-c3ccccc3)[nH]2)c2ccccc21 ZINC000192957515 600218845 /nfs/dbraw/zinc/21/88/45/600218845.db2.gz FGAPAPUDYAZIBL-HNNXBMFYSA-N -1 0 332.359 3.510 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc(Cl)cc2Cl)c2ccccc21 ZINC000177472649 600222412 /nfs/dbraw/zinc/22/24/12/600222412.db2.gz UASMWPWISRYDRR-GFCCVEGCSA-N -1 0 336.174 3.822 20 0 EHADRM C[C@@H](CC(=O)N1C[C@H](C(=O)[O-])c2ccccc21)c1ccc(F)cc1 ZINC000262694103 600222813 /nfs/dbraw/zinc/22/28/13/600222813.db2.gz DBFPEYNLKGOEAN-LRDDRELGSA-N -1 0 327.355 3.534 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000262837779 600224608 /nfs/dbraw/zinc/22/46/08/600224608.db2.gz SYFQPBBMCTWIPQ-GFCCVEGCSA-N -1 0 344.436 3.578 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCCc2ccc(F)cc2Cl)cc1 ZINC000739430077 600228155 /nfs/dbraw/zinc/22/81/55/600228155.db2.gz MWMKWRHDYXRNJD-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM O=C([O-])[C@@H]1CCCN1C(=O)CCCc1ccc2c(c1)-c1ccccc1C2 ZINC000238062076 600235898 /nfs/dbraw/zinc/23/58/98/600235898.db2.gz NKQTYXNQOSEWKO-FQEVSTJZSA-N -1 0 349.430 3.656 20 0 EHADRM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000096308076 600235918 /nfs/dbraw/zinc/23/59/18/600235918.db2.gz GQHZUGKQUKRQSK-LBPRGKRZSA-N -1 0 335.812 3.758 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000262193936 600241251 /nfs/dbraw/zinc/24/12/51/600241251.db2.gz RKRFDUGTWQUUEZ-INIZCTEOSA-N -1 0 347.436 3.816 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2ccccc2)c2ccccc2)cn1 ZINC000237972252 600248549 /nfs/dbraw/zinc/24/85/49/600248549.db2.gz LVTMQNWPNXNIAP-UHFFFAOYSA-N -1 0 332.359 3.627 20 0 EHADRM O=C([O-])c1ccc(-c2noc([C@H]3C[C@H]3c3c(F)cccc3F)n2)cc1 ZINC000740101664 600248564 /nfs/dbraw/zinc/24/85/64/600248564.db2.gz QQPPPWDYKBEZAE-NEPJUHHUSA-N -1 0 342.301 3.984 20 0 EHADRM CCSCc1ccc(C(=O)Oc2c(OC)cccc2C(=O)[O-])cc1 ZINC000737231220 600250012 /nfs/dbraw/zinc/25/00/12/600250012.db2.gz IKKPRBFYUMTQAP-UHFFFAOYSA-N -1 0 346.404 3.866 20 0 EHADRM Cc1ccc(N2CCCC2)c(C(=O)Oc2ccc(NC(=O)[O-])cc2)c1 ZINC000738279962 600255190 /nfs/dbraw/zinc/25/51/90/600255190.db2.gz XGDJNQUQPSHDET-UHFFFAOYSA-N -1 0 340.379 3.904 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC000736890888 600256543 /nfs/dbraw/zinc/25/65/43/600256543.db2.gz JRSDNLXVFTYKBB-LXKVQUBZSA-N -1 0 342.395 3.851 20 0 EHADRM CCSc1cccc(NC(=O)c2[nH]c(CC)c(C(=O)[O-])c2C)c1 ZINC000737229812 600257787 /nfs/dbraw/zinc/25/77/87/600257787.db2.gz QELZJMTTXZCVCH-UHFFFAOYSA-N -1 0 332.425 3.948 20 0 EHADRM CCO[C@@H](C)c1nc(COc2cc(C)sc2C(=O)[O-])cs1 ZINC000737159401 600261133 /nfs/dbraw/zinc/26/11/33/600261133.db2.gz XSYCHTGYIJQCGC-VIFPVBQESA-N -1 0 327.427 3.888 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(C(=O)[C@@H]1C[C@@H]1c1ccc3ccccc3c1)CC2 ZINC000262040216 600264812 /nfs/dbraw/zinc/26/48/12/600264812.db2.gz AGFUJRFCEZDOOU-QRVBRYPASA-N -1 0 349.430 3.657 20 0 EHADRM O=C([O-])[C@H]1CC12CCN(C(=O)c1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000555713104 600265714 /nfs/dbraw/zinc/26/57/14/600265714.db2.gz NABNVUAUGMTWIU-LJQANCHMSA-N -1 0 347.414 3.585 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2cc3cc(Cl)ccc3[nH]2)c2ccccc21 ZINC000685021282 600278669 /nfs/dbraw/zinc/27/86/69/600278669.db2.gz UGZFAUICOKWWNL-CYBMUJFWSA-N -1 0 340.766 3.650 20 0 EHADRM Cc1oc(CNc2cc(N3CCCC3=O)ccc2Cl)cc1C(=O)[O-] ZINC000738981150 600284225 /nfs/dbraw/zinc/28/42/25/600284225.db2.gz JDYGRFKBMLPCLU-UHFFFAOYSA-N -1 0 348.786 3.679 20 0 EHADRM C[C@@H](c1nc2ccccc2n1C(F)F)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000574644922 600287819 /nfs/dbraw/zinc/28/78/19/600287819.db2.gz YUWGKIGULLBFSK-NWDGAFQWSA-N -1 0 349.381 3.679 20 0 EHADRM COc1ccc([C@@H](C)C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cc1 ZINC000737946477 600288194 /nfs/dbraw/zinc/28/81/94/600288194.db2.gz AUKASNLTAWLBJB-CYBMUJFWSA-N -1 0 342.395 3.547 20 0 EHADRM COCc1cccc(CNC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000737833905 600289763 /nfs/dbraw/zinc/28/97/63/600289763.db2.gz CGPUGALDKYODAL-UHFFFAOYSA-N -1 0 348.786 3.506 20 0 EHADRM CCN(Cc1noc(CCCC(=O)[O-])n1)c1ccc2ccccc2c1 ZINC000737107815 600294745 /nfs/dbraw/zinc/29/47/45/600294745.db2.gz LWQIQEXGEBYLHW-UHFFFAOYSA-N -1 0 339.395 3.657 20 0 EHADRM CC[C@@](NCc1csc(C(C)(C)C)n1)(C(=O)[O-])c1ccccc1 ZINC000736921241 600305139 /nfs/dbraw/zinc/30/51/39/600305139.db2.gz YGPMALNEKMYNOD-SFHVURJKSA-N -1 0 332.469 3.920 20 0 EHADRM CCc1ccccc1OCC(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737275811 600321438 /nfs/dbraw/zinc/32/14/38/600321438.db2.gz ZCAQCYAILCBKLI-KRWDZBQOSA-N -1 0 348.782 3.650 20 0 EHADRM CN(Cc1ccc(NC(=O)NCc2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC000737480021 600328520 /nfs/dbraw/zinc/32/85/20/600328520.db2.gz DGWPRYDAUQYNIA-UHFFFAOYSA-N -1 0 347.802 3.772 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000736625157 600329443 /nfs/dbraw/zinc/32/94/43/600329443.db2.gz CTFCRYGVQLPYAV-MLGOLLRUSA-N -1 0 332.783 3.888 20 0 EHADRM CC(=O)c1csc(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000736195598 600329471 /nfs/dbraw/zinc/32/94/71/600329471.db2.gz AGRYIDOHDWMKLN-CYBMUJFWSA-N -1 0 338.768 3.587 20 0 EHADRM CC(C)c1csc(NC(=O)Nc2ccc(CNC(=O)[O-])cc2)n1 ZINC000736522386 600329796 /nfs/dbraw/zinc/32/97/96/600329796.db2.gz FZRGFBKKWZTLLU-UHFFFAOYSA-N -1 0 334.401 3.678 20 0 EHADRM CC(=O)c1ccc(NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cc1 ZINC000736192761 600333602 /nfs/dbraw/zinc/33/36/02/600333602.db2.gz NTAHJBQHKYESOR-UHFFFAOYSA-N -1 0 341.367 3.643 20 0 EHADRM CCOc1ccc(NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cc1 ZINC000737204437 600334520 /nfs/dbraw/zinc/33/45/20/600334520.db2.gz XRQPUZRFIQHUBU-UHFFFAOYSA-N -1 0 343.383 3.839 20 0 EHADRM CC(C)CCN(C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)C1CC1 ZINC000736427740 600342382 /nfs/dbraw/zinc/34/23/82/600342382.db2.gz SMPSOIYIXPEGJB-UHFFFAOYSA-N -1 0 333.432 3.839 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccccc1 ZINC000736242921 600345759 /nfs/dbraw/zinc/34/57/59/600345759.db2.gz OHKQKHHMDWUTIN-CVEARBPZSA-N -1 0 344.455 3.670 20 0 EHADRM C[C@@H](CN(C)C(=O)c1cc(-c2ccccc2)ccc1Cl)C(=O)[O-] ZINC000237410088 600360015 /nfs/dbraw/zinc/36/00/15/600360015.db2.gz QCISVZKBYNMIIE-LBPRGKRZSA-N -1 0 331.799 3.800 20 0 EHADRM C[C@H](S[C@@H](C)c1cccs1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736709316 600362479 /nfs/dbraw/zinc/36/24/79/600362479.db2.gz OXNPRIHXIYLQBF-RYUDHWBXSA-N -1 0 349.477 3.945 20 0 EHADRM Cc1nc(NCCc2ccc(NC(=O)[O-])cc2)cc(C(F)(F)F)n1 ZINC000738865575 600363919 /nfs/dbraw/zinc/36/39/19/600363919.db2.gz VRENMQRRCYCETI-UHFFFAOYSA-N -1 0 340.305 3.548 20 0 EHADRM Cc1cc(NC(=O)Cc2ccc(-n3cccc3)cc2)sc1C(=O)[O-] ZINC000738431843 600369923 /nfs/dbraw/zinc/36/99/23/600369923.db2.gz RAYRSTLFBGTPFG-UHFFFAOYSA-N -1 0 340.404 3.727 20 0 EHADRM COc1ccc(C(=O)Nc2cc(C)c(C(=O)[O-])s2)c(Cl)c1 ZINC000737930990 600370648 /nfs/dbraw/zinc/37/06/48/600370648.db2.gz UUFYUCVSKSSQDR-UHFFFAOYSA-N -1 0 325.773 3.669 20 0 EHADRM Cc1cc(NC(=O)CCc2cc(F)ccc2F)sc1C(=O)[O-] ZINC000738428674 600373044 /nfs/dbraw/zinc/37/30/44/600373044.db2.gz XPFJOKPWJWMCGE-UHFFFAOYSA-N -1 0 325.336 3.604 20 0 EHADRM CC(C)(C)n1cnnc1S[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000736305708 600378844 /nfs/dbraw/zinc/37/88/44/600378844.db2.gz MHJCLOXKOJJBNZ-LLVKDONJSA-N -1 0 325.821 3.605 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1ccc(F)cc1Cl)c1ccccc1 ZINC000736853449 600379784 /nfs/dbraw/zinc/37/97/84/600379784.db2.gz SSWGCUGIEWHCGM-HNNXBMFYSA-N -1 0 335.762 3.989 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1ccc(COc2ccccc2)cc1 ZINC000236578252 600380489 /nfs/dbraw/zinc/38/04/89/600380489.db2.gz DLDKGHGGXHDFQT-UHFFFAOYSA-N -1 0 341.407 3.639 20 0 EHADRM O=C([O-])c1cnc(NC(=O)c2ccc(OC3CCCCC3)cc2)s1 ZINC000739490419 600380909 /nfs/dbraw/zinc/38/09/09/600380909.db2.gz NWDVHQGLRGRWKW-UHFFFAOYSA-N -1 0 346.408 3.805 20 0 EHADRM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)NC(C)(C)CCC(=O)[O-] ZINC000237507532 600381803 /nfs/dbraw/zinc/38/18/03/600381803.db2.gz XAIIPIXFBKGGCT-CYBMUJFWSA-N -1 0 335.444 3.511 20 0 EHADRM O=C([O-])c1cc(NC(=O)/C=C/c2ccnc3ccccc23)ccc1F ZINC000739216799 600381780 /nfs/dbraw/zinc/38/17/80/600381780.db2.gz VGXFYPSSXYANFR-VMPITWQZSA-N -1 0 336.322 3.724 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Cc1coc2ccc3ccccc3c12 ZINC000532250731 600381853 /nfs/dbraw/zinc/38/18/53/600381853.db2.gz IOLUPWYCDJRISE-UHFFFAOYSA-N -1 0 339.391 3.888 20 0 EHADRM Cc1cccc2cc(C(=O)NCCc3ccc(NC(=O)[O-])cc3)oc21 ZINC000738750528 600381929 /nfs/dbraw/zinc/38/19/29/600381929.db2.gz UJCMAJPFYISXFQ-UHFFFAOYSA-N -1 0 338.363 3.804 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OC(=O)C[C@H]1CCOc2ccccc21 ZINC000738540719 600382023 /nfs/dbraw/zinc/38/20/23/600382023.db2.gz NPIGPNNLBUDTHK-CYBMUJFWSA-N -1 0 326.348 3.555 20 0 EHADRM Cc1c(NC(=O)/C=C/c2ccnc3ccccc23)cccc1C(=O)[O-] ZINC000738300238 600382148 /nfs/dbraw/zinc/38/21/48/600382148.db2.gz SCPZTBJIWADCGO-MDZDMXLPSA-N -1 0 332.359 3.893 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc2cc(F)ccc2o1)c1ccc(F)cc1 ZINC000532556364 600382470 /nfs/dbraw/zinc/38/24/70/600382470.db2.gz GWOJJKILOZEXHS-AWEZNQCLSA-N -1 0 345.301 3.657 20 0 EHADRM Cc1ccc(CCCC(=O)NCCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738589721 600382497 /nfs/dbraw/zinc/38/24/97/600382497.db2.gz WJURYSRMLKJREW-UHFFFAOYSA-N -1 0 340.423 3.767 20 0 EHADRM Cc1ccc2oc(C(=O)NCCc3ccc(NC(=O)[O-])cc3)cc2c1 ZINC000738681525 600383487 /nfs/dbraw/zinc/38/34/87/600383487.db2.gz WQMRRPQIUBPKGS-UHFFFAOYSA-N -1 0 338.363 3.804 20 0 EHADRM Cc1ccc(C(=O)NCCc2ccc(NC(=O)[O-])cc2)cc1Cl ZINC000738515244 600384092 /nfs/dbraw/zinc/38/40/92/600384092.db2.gz SGJLDEUTSQDXPI-UHFFFAOYSA-N -1 0 332.787 3.711 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)C(F)(F)c1ccccc1)c1ccccc1 ZINC000736850581 600387417 /nfs/dbraw/zinc/38/74/17/600387417.db2.gz XBFQFAHCPDBHSN-HNNXBMFYSA-N -1 0 333.334 3.675 20 0 EHADRM Cc1ncccc1C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000738887262 600392166 /nfs/dbraw/zinc/39/21/66/600392166.db2.gz MVYPYIOUIGRKHQ-QGZVFWFLSA-N -1 0 340.423 3.633 20 0 EHADRM Cc1cccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)n1 ZINC000237609135 600392218 /nfs/dbraw/zinc/39/22/18/600392218.db2.gz OZCRXUBRHUEGGK-QGZVFWFLSA-N -1 0 340.423 3.633 20 0 EHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)COC2CCCC2)cc1 ZINC000262527794 600392617 /nfs/dbraw/zinc/39/26/17/600392617.db2.gz NZZZJHUSRKPCCL-QGZVFWFLSA-N -1 0 347.455 3.575 20 0 EHADRM CCc1nc([C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cs1 ZINC000737277364 600393600 /nfs/dbraw/zinc/39/36/00/600393600.db2.gz TZFNZEDMZAHNDK-SNVBAGLBSA-N -1 0 333.413 3.595 20 0 EHADRM CC(C)(NC(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccc(F)cc1 ZINC000736324421 600396161 /nfs/dbraw/zinc/39/61/61/600396161.db2.gz NHLAQWCDZYEOGD-UHFFFAOYSA-N -1 0 334.322 3.720 20 0 EHADRM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000567359143 600397220 /nfs/dbraw/zinc/39/72/20/600397220.db2.gz LKPNVHIYMKBIBX-SJORKVTESA-N -1 0 349.789 3.678 20 0 EHADRM Cc1cccc2c1CC[C@H]2NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000738748634 600402364 /nfs/dbraw/zinc/40/23/64/600402364.db2.gz WVSUXOJREAONBI-OAHLLOKOSA-N -1 0 328.343 3.641 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)C(=O)C(C)(C)C)ccc2n1C1CC1 ZINC000738276048 600404172 /nfs/dbraw/zinc/40/41/72/600404172.db2.gz KNVGEONSIWNXBN-UHFFFAOYSA-N -1 0 343.379 3.503 20 0 EHADRM CCC[C@H](CC)NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736971944 600407175 /nfs/dbraw/zinc/40/71/75/600407175.db2.gz WLYTXRPKVGIGTE-JTQLQIEISA-N -1 0 330.331 3.686 20 0 EHADRM O=C([O-])CCCCCCNC(=O)N[C@H]1CCC[C@@H]1c1ccccc1 ZINC000739666881 600411118 /nfs/dbraw/zinc/41/11/18/600411118.db2.gz WSXZIHKRFXOSDW-SJORKVTESA-N -1 0 332.444 3.657 20 0 EHADRM Cc1cccc(C[C@@H](CNC(=O)[C@@H](C)CC2CCCC2)C(=O)[O-])c1 ZINC000237486044 600413599 /nfs/dbraw/zinc/41/35/99/600413599.db2.gz GJGIRTBAKODBCC-YJBOKZPZSA-N -1 0 331.456 3.571 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)CCc1ccc(-c2ccccc2F)o1 ZINC000236825958 600418044 /nfs/dbraw/zinc/41/80/44/600418044.db2.gz LLAXJVFEGGDFRQ-UHFFFAOYSA-N -1 0 347.386 3.778 20 0 EHADRM O=C([O-])c1cc(NC(=O)C[C@H]2CCc3ccccc3C2)c(F)cc1F ZINC000739220687 600426748 /nfs/dbraw/zinc/42/67/48/600426748.db2.gz BIDIVHWAJMAERV-NSHDSACASA-N -1 0 345.345 3.797 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)[C@@H](C)Cc1ccccc1 ZINC000737872352 600426758 /nfs/dbraw/zinc/42/67/58/600426758.db2.gz OTFSRXDFXVZNBP-MARXPDLDSA-N -1 0 340.375 3.577 20 0 EHADRM O=C([O-])[C@@H](Nc1ccc(N2CCCC2)c(F)c1)c1ccc(F)cc1 ZINC000739512425 600427190 /nfs/dbraw/zinc/42/71/90/600427190.db2.gz NDASKWZLVBDOFA-KRWDZBQOSA-N -1 0 332.350 3.803 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)C[C@@H]2CCc3ccccc3C2)cc1 ZINC000738667534 600429321 /nfs/dbraw/zinc/42/93/21/600429321.db2.gz REAOMMNGNNIFQT-CYBMUJFWSA-N -1 0 325.364 3.877 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)c2sc3ccccc3c2Cl)c1 ZINC000315674608 600429386 /nfs/dbraw/zinc/42/93/86/600429386.db2.gz UYAGWQQRDFRPFM-UHFFFAOYSA-N -1 0 332.768 3.900 20 0 EHADRM CCc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(C(=O)[O-])c2)o1 ZINC000737258272 600439673 /nfs/dbraw/zinc/43/96/73/600439673.db2.gz AJFUSLAGDFHLMH-HNNXBMFYSA-N -1 0 328.368 3.909 20 0 EHADRM O=C([O-])[C@@H](OC(=O)CCc1c[nH]c2ccccc12)c1ccc(F)cc1 ZINC000739252912 600442491 /nfs/dbraw/zinc/44/24/91/600442491.db2.gz YCNUDJBRCQYWPP-SFHVURJKSA-N -1 0 341.338 3.609 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 ZINC000740289932 600444371 /nfs/dbraw/zinc/44/43/71/600444371.db2.gz HRFMUYFMVWZZRX-ZDUSSCGKSA-N -1 0 342.244 3.827 20 0 EHADRM Cc1cc2[nH]c(C(=O)O[C@@H](C(=O)[O-])c3ccc(F)cc3)cc2c(C)c1 ZINC000738357228 600449224 /nfs/dbraw/zinc/44/92/24/600449224.db2.gz FVWGFEAITNJCAB-QGZVFWFLSA-N -1 0 341.338 3.907 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)/C=C/C2CCOCC2)s1 ZINC000736293992 600451335 /nfs/dbraw/zinc/45/13/35/600451335.db2.gz IKFWZSMFXQONCT-SNAWJCMRSA-N -1 0 337.441 3.665 20 0 EHADRM Cc1oc(CN(C)C(=O)NCC[C@@H]2CCCC[C@@H]2C)cc1C(=O)[O-] ZINC000738967057 600452150 /nfs/dbraw/zinc/45/21/50/600452150.db2.gz IWCVCBXVAMOXIJ-JSGCOSHPSA-N -1 0 336.432 3.644 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)OCC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000736906145 600453829 /nfs/dbraw/zinc/45/38/29/600453829.db2.gz YCJIVHBNNCWOPU-CQSZACIVSA-N -1 0 349.427 3.662 20 0 EHADRM C[C@@H](CC(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1F ZINC000736555209 600454649 /nfs/dbraw/zinc/45/46/49/600454649.db2.gz CQBSGTFYUCWTTQ-APPDUMDISA-N -1 0 334.318 3.828 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)Nc2ccccc2Cl)cc1 ZINC000740023506 600454780 /nfs/dbraw/zinc/45/47/80/600454780.db2.gz PQUADNCZWGVAAU-UHFFFAOYSA-N -1 0 333.775 3.794 20 0 EHADRM O=C([O-])[C@H](OC(=O)C[C@H]1CCc2ccccc21)c1ccc(F)cc1 ZINC000739220602 600456791 /nfs/dbraw/zinc/45/67/91/600456791.db2.gz APKWZGBCQKQUAF-RDTXWAMCSA-N -1 0 328.339 3.615 20 0 EHADRM CCCC[C@H]1CCC[C@H]1NC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736985210 600459078 /nfs/dbraw/zinc/45/90/78/600459078.db2.gz MVHKNZWNHGZQSZ-DOTOQJQBSA-N -1 0 347.459 3.977 20 0 EHADRM O=C([O-])C1(NCc2ncc(-c3cccc(Cl)c3)o2)CCCCC1 ZINC000739519007 600460545 /nfs/dbraw/zinc/46/05/45/600460545.db2.gz CFNHONMJRDYKJT-UHFFFAOYSA-N -1 0 334.803 3.872 20 0 EHADRM CC(C)c1nc2cc(NC(=O)N3CCC(CC(=O)[O-])CC3)ccc2o1 ZINC000736524619 600465227 /nfs/dbraw/zinc/46/52/27/600465227.db2.gz MADAUCQXHFEZLT-UHFFFAOYSA-N -1 0 345.399 3.670 20 0 EHADRM CC(C)(C)c1cc2c([nH]c(Cc3ccc(C(=O)[O-])cc3)nc2=O)s1 ZINC000736293899 600465264 /nfs/dbraw/zinc/46/52/64/600465264.db2.gz HPFDRTKARNHIJD-UHFFFAOYSA-N -1 0 342.420 3.983 20 0 EHADRM CCCC(=O)COC(=O)c1ccc(-c2ccc(C(=O)[O-])cc2)cc1 ZINC000736947312 600465962 /nfs/dbraw/zinc/46/59/62/600465962.db2.gz APSBVRAMMSVVIU-UHFFFAOYSA-N -1 0 326.348 3.578 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](NC(=O)N1CC[C@H](C(=O)[O-])C1)C(C)C ZINC000263295663 600470439 /nfs/dbraw/zinc/47/04/39/600470439.db2.gz WAVIRDAAXODYBL-BBRMVZONSA-N -1 0 344.411 3.554 20 0 EHADRM C[C@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000736840063 600475237 /nfs/dbraw/zinc/47/52/37/600475237.db2.gz JSMUQTGIPPZCSQ-NSHDSACASA-N -1 0 328.343 3.675 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2ccccc2OC2CCC2)cc1 ZINC000676024980 600475719 /nfs/dbraw/zinc/47/57/19/600475719.db2.gz COUYXGRNOJXIPL-UHFFFAOYSA-N -1 0 339.391 3.887 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cncc3ccccc32)cc1Cl ZINC000431360608 600477169 /nfs/dbraw/zinc/47/71/69/600477169.db2.gz AKCGGODTUFATEM-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)o1 ZINC000345907520 600477357 /nfs/dbraw/zinc/47/73/57/600477357.db2.gz OSFAXASIJKBCFG-IRXDYDNUSA-N -1 0 335.359 3.551 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2ccccc2SC(F)(F)F)o1 ZINC000321764253 600477498 /nfs/dbraw/zinc/47/74/98/600477498.db2.gz XCBBLAUFRUYBHV-UHFFFAOYSA-N -1 0 345.298 3.520 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1Cl ZINC000236477815 600478335 /nfs/dbraw/zinc/47/83/35/600478335.db2.gz UPLGUCVQSSGBKO-UHFFFAOYSA-N -1 0 345.569 3.992 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2(c3cccc(F)c3)CC2)cc1Cl ZINC000238165358 600478717 /nfs/dbraw/zinc/47/87/17/600478717.db2.gz GVRNMRZKSPTWKU-UHFFFAOYSA-N -1 0 333.746 3.848 20 0 EHADRM Cc1ccc([C@@H](C)CNC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000738553297 600482189 /nfs/dbraw/zinc/48/21/89/600482189.db2.gz WECINJSWDYMTQG-LBPRGKRZSA-N -1 0 330.359 3.758 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)/C=C\c2ccccc2F)cc1 ZINC000739686600 600482385 /nfs/dbraw/zinc/48/23/85/600482385.db2.gz NWRAYJBDZKCTDK-GHXNOFRVSA-N -1 0 343.354 3.721 20 0 EHADRM CC(C)[C@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000262909978 600487432 /nfs/dbraw/zinc/48/74/32/600487432.db2.gz DPPJBQNAFFPEOX-HIFRSBDPSA-N -1 0 338.835 3.543 20 0 EHADRM CC[C@@H](C)[C@H]1CCCCN1C(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC000736879242 600488966 /nfs/dbraw/zinc/48/89/66/600488966.db2.gz CAWMAUJPTBZNHA-CZUORRHYSA-N -1 0 348.443 3.504 20 0 EHADRM CC(C)[C@H]1CCCC[C@H]1NC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736394908 600494981 /nfs/dbraw/zinc/49/49/81/600494981.db2.gz LENDQRSVJLAZFM-IAGOWNOFSA-N -1 0 347.459 3.833 20 0 EHADRM O=C([O-])c1ccc(CNc2nc(C(F)(F)F)nc3ccccc32)o1 ZINC000740133613 600503508 /nfs/dbraw/zinc/50/35/08/600503508.db2.gz NJXOZNZKNGIYKP-UHFFFAOYSA-N -1 0 337.257 3.552 20 0 EHADRM Cc1ccc(NC(=O)Nc2ccc(OCCCC(=O)[O-])cc2)cc1 ZINC000738627526 600504128 /nfs/dbraw/zinc/50/41/28/600504128.db2.gz PUDDEFYNDSEVKH-UHFFFAOYSA-N -1 0 328.368 3.883 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)Oc2cccc(CC(=O)[O-])c2)cc1 ZINC000737258096 600510951 /nfs/dbraw/zinc/51/09/51/600510951.db2.gz XEUVUDCVSVLVDI-CQSZACIVSA-N -1 0 326.392 3.975 20 0 EHADRM C[C@H](OC(=O)c1coc(-c2ccccc2)n1)c1ccc(C(=O)[O-])cc1 ZINC000738227553 600511124 /nfs/dbraw/zinc/51/11/24/600511124.db2.gz BOZCYSKTQBJPJD-LBPRGKRZSA-N -1 0 337.331 3.958 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H]2CCCc3occc32)cc1Cl ZINC000739464594 600511267 /nfs/dbraw/zinc/51/12/67/600511267.db2.gz GOBWNKLNGYUHNT-ZDUSSCGKSA-N -1 0 334.759 3.830 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H]2CCc3c2cccc3F)cc1Cl ZINC000739465069 600514701 /nfs/dbraw/zinc/51/47/01/600514701.db2.gz OMOPACKCHYFVCJ-HNNXBMFYSA-N -1 0 348.761 3.986 20 0 EHADRM CCCCSCCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000737000869 600521256 /nfs/dbraw/zinc/52/12/56/600521256.db2.gz FSDGGRXPERDHCX-UHFFFAOYSA-N -1 0 327.471 3.797 20 0 EHADRM Cc1cccc([C@H](C)C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)c1 ZINC000738694225 600521494 /nfs/dbraw/zinc/52/14/94/600521494.db2.gz YMQRUHHTIFHDTD-NSHDSACASA-N -1 0 329.421 3.986 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000736358785 600522451 /nfs/dbraw/zinc/52/24/51/600522451.db2.gz NZHGFAFOFBSCMD-OAHLLOKOSA-N -1 0 329.371 3.977 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000236703138 600523861 /nfs/dbraw/zinc/52/38/61/600523861.db2.gz SCUWNCVZZQFPJB-IBGZPJMESA-N -1 0 339.435 3.858 20 0 EHADRM CS[C@@H](C(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccccc1 ZINC000738181205 600526675 /nfs/dbraw/zinc/52/66/75/600526675.db2.gz HJUSSSWCWZZXLB-QGZVFWFLSA-N -1 0 329.421 3.747 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)o1 ZINC000739438453 600527420 /nfs/dbraw/zinc/52/74/20/600527420.db2.gz XWQJFUDSSGPQKH-OAHLLOKOSA-N -1 0 348.786 3.582 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N2CCc3c(Cl)cccc3C2)cc1 ZINC000238063960 600528473 /nfs/dbraw/zinc/52/84/73/600528473.db2.gz SLGXSELKSOOAOZ-UHFFFAOYSA-N -1 0 343.810 3.556 20 0 EHADRM CCN(C(=O)c1ccc(CSC)cc1)c1ccccc1C(=O)[O-] ZINC000737059133 600532503 /nfs/dbraw/zinc/53/25/03/600532503.db2.gz JOEILMVGKOMMQO-UHFFFAOYSA-N -1 0 329.421 3.915 20 0 EHADRM C[C@H]1CCC[C@@H](OCC(=O)Nc2ccc(Cl)cc2C(=O)[O-])C1 ZINC000736775415 600533919 /nfs/dbraw/zinc/53/39/19/600533919.db2.gz LZNQPBNARIAPNX-CMPLNLGQSA-N -1 0 325.792 3.572 20 0 EHADRM Cc1ccccc1C[C@H]1CCCN1C(=O)NCCCCCCC(=O)[O-] ZINC000738767836 600545468 /nfs/dbraw/zinc/54/54/68/600545468.db2.gz KSBDOJCFCGZERD-GOSISDBHSA-N -1 0 346.471 3.747 20 0 EHADRM CC(C)[C@@H](C)C(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC000736354785 600554538 /nfs/dbraw/zinc/55/45/38/600554538.db2.gz KTACOXGFXXLMRI-LLVKDONJSA-N -1 0 332.425 3.668 20 0 EHADRM Cc1c(Cl)cc(NC(=O)N2CCC(C(=O)[O-])CC2)cc1Cl ZINC000263459070 600557082 /nfs/dbraw/zinc/55/70/82/600557082.db2.gz CZWSTKOXYSOCQJ-UHFFFAOYSA-N -1 0 331.199 3.630 20 0 EHADRM Cc1cc(O[C@@H](C)C(=O)N(CCC(=O)[O-])C(C)C)ccc1C(C)C ZINC000236749992 600559323 /nfs/dbraw/zinc/55/93/23/600559323.db2.gz PEOMBRFMOGIFTB-HNNXBMFYSA-N -1 0 335.444 3.597 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N(CCC(=O)[O-])C(C)C ZINC000738194440 600561971 /nfs/dbraw/zinc/56/19/71/600561971.db2.gz AESGYAACUACOIX-UHFFFAOYSA-N -1 0 335.425 3.621 20 0 EHADRM O=C([O-])c1cc(NC(=O)C2(c3ccccc3F)CC2)ccc1Cl ZINC000676002954 600584220 /nfs/dbraw/zinc/58/42/20/600584220.db2.gz LMFNLYYLVSDUBV-UHFFFAOYSA-N -1 0 333.746 3.848 20 0 EHADRM C[C@H](CC(=O)[O-])SCC(=O)N(c1ccccc1)C1CCCCC1 ZINC000736553801 600584429 /nfs/dbraw/zinc/58/44/29/600584429.db2.gz VFXPLFCTDLEAEY-CQSZACIVSA-N -1 0 335.469 3.949 20 0 EHADRM C[C@@H](CC(=O)[O-])SCC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000736550007 600585973 /nfs/dbraw/zinc/58/59/73/600585973.db2.gz BRHRNQLLMKWIHG-NEPJUHHUSA-N -1 0 339.482 3.500 20 0 EHADRM CN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737336003 600589791 /nfs/dbraw/zinc/58/97/91/600589791.db2.gz GQANJXSLFGNPKU-SFHVURJKSA-N -1 0 334.375 3.580 20 0 EHADRM Cc1ccc(-c2noc(CCCS[C@@H](C)CC(=O)[O-])n2)cc1F ZINC000738250048 600592214 /nfs/dbraw/zinc/59/22/14/600592214.db2.gz DJJUMESLKLLWPY-NSHDSACASA-N -1 0 338.404 3.713 20 0 EHADRM C[C@H](CC(=O)[O-])SCC(=O)NCC1(c2ccccc2)CCCCC1 ZINC000736554312 600592333 /nfs/dbraw/zinc/59/23/33/600592333.db2.gz YGDLHUASMOQEMX-OAHLLOKOSA-N -1 0 349.496 3.601 20 0 EHADRM Cc1cc(C(=O)N(C)C[C@@H](C)C(=O)[O-])c(C)n1-c1cccc(Cl)c1 ZINC000237576181 600594480 /nfs/dbraw/zinc/59/44/80/600594480.db2.gz CVACDVGMWHHAJO-LLVKDONJSA-N -1 0 348.830 3.540 20 0 EHADRM CCN(C(=O)CS[C@H](C)CC(=O)[O-])c1cccc2ccccc21 ZINC000737060209 600594714 /nfs/dbraw/zinc/59/47/14/600594714.db2.gz HKSUETYHRJLUKQ-CYBMUJFWSA-N -1 0 331.437 3.789 20 0 EHADRM CC(C)c1ccc(C2(C(=O)N(C)C[C@H](C)C(=O)[O-])CCCC2)cc1 ZINC000736572001 600595388 /nfs/dbraw/zinc/59/53/88/600595388.db2.gz WEPHSBDKYUQGTD-HNNXBMFYSA-N -1 0 331.456 3.801 20 0 EHADRM C[C@H](CN(C)C(=O)/C(=C\c1ccc(F)cc1)c1cccs1)C(=O)[O-] ZINC000736570883 600595416 /nfs/dbraw/zinc/59/54/16/600595416.db2.gz FQPPBUBRJJJFHC-DYTQJMLRSA-N -1 0 347.411 3.607 20 0 EHADRM C[C@H](CSCC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000736613021 600595774 /nfs/dbraw/zinc/59/57/74/600595774.db2.gz GYLSWCREHVXJOR-CYBMUJFWSA-N -1 0 345.420 3.871 20 0 EHADRM CN(C(=O)CSc1ccc(Cl)cc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737324757 600597354 /nfs/dbraw/zinc/59/73/54/600597354.db2.gz DMVZYQOFTJJQQF-INIZCTEOSA-N -1 0 349.839 3.716 20 0 EHADRM CN(C(=O)CCc1ccc(Cl)cc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737319951 600599080 /nfs/dbraw/zinc/59/90/80/600599080.db2.gz SWFAKSYTQJZEFT-QGZVFWFLSA-N -1 0 331.799 3.557 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000737256820 600600708 /nfs/dbraw/zinc/60/07/08/600600708.db2.gz KKMPNVUNSCWOKO-KDOFPFPSSA-N -1 0 325.408 3.637 20 0 EHADRM Cc1cccc(CSCC(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000738717482 600600975 /nfs/dbraw/zinc/60/09/75/600600975.db2.gz LWWKWXZMLWDALL-GOSISDBHSA-N -1 0 343.448 3.513 20 0 EHADRM CCC(CC)C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000262870581 600601540 /nfs/dbraw/zinc/60/15/40/600601540.db2.gz XPCULGHQDPTJBZ-KRWDZBQOSA-N -1 0 327.424 3.636 20 0 EHADRM C[C@H]1CCc2c(C(=O)N(C)[C@@H](C(=O)[O-])c3ccccc3)csc2C1 ZINC000736803443 600602222 /nfs/dbraw/zinc/60/22/22/600602222.db2.gz VWWDAFDZSNEZNZ-YVEFUNNKSA-N -1 0 343.448 3.771 20 0 EHADRM C[C@H](CSCC(=O)N(Cc1ccco1)C1=CCCCC1)C(=O)[O-] ZINC000736615153 600602576 /nfs/dbraw/zinc/60/25/76/600602576.db2.gz GAQORZXIBSWMAG-CYBMUJFWSA-N -1 0 337.441 3.520 20 0 EHADRM CCC/C(C)=C\C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000736958400 600602739 /nfs/dbraw/zinc/60/27/39/600602739.db2.gz BDJMMFHIOHBITI-ILCZHQDMSA-N -1 0 339.435 3.946 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc(Oc2cccnc2)cc1)c1ccccc1 ZINC000156245552 600603093 /nfs/dbraw/zinc/60/30/93/600603093.db2.gz IIAULQDOQGUGPH-UHFFFAOYSA-N -1 0 348.358 3.605 20 0 EHADRM Cc1ccc(CCC(=O)N(CC(=O)[O-])c2ccccc2)cc1Cl ZINC000320017188 600603179 /nfs/dbraw/zinc/60/31/79/600603179.db2.gz OBDMLFBJAJMOHB-UHFFFAOYSA-N -1 0 331.799 3.699 20 0 EHADRM CC(C)CCC(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000236686896 600603385 /nfs/dbraw/zinc/60/33/85/600603385.db2.gz SIYNAMDFRKJTOY-GOSISDBHSA-N -1 0 327.424 3.636 20 0 EHADRM C[C@H](CSCC(=O)N[C@H](c1ccccc1)C1CCCCC1)C(=O)[O-] ZINC000736614449 600605144 /nfs/dbraw/zinc/60/51/44/600605144.db2.gz CPOXTADUTRDYBI-RDTXWAMCSA-N -1 0 349.496 3.878 20 0 EHADRM O=C([O-])CN(C(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000314724512 600606785 /nfs/dbraw/zinc/60/67/85/600606785.db2.gz PPOPKXJZVGWHCW-UHFFFAOYSA-N -1 0 338.190 3.654 20 0 EHADRM O=C([O-])[C@H](CNC(=O)C[C@@H]1C=CCC1)Cc1ccc2ccccc2c1 ZINC000262691315 600606914 /nfs/dbraw/zinc/60/69/14/600606914.db2.gz AHGCZGGWZDGHQM-BEFAXECRSA-N -1 0 337.419 3.556 20 0 EHADRM CC[C@@H](NC(=S)N(C)Cc1ccc(C(=O)[O-])cc1)c1cccs1 ZINC000736920735 600607312 /nfs/dbraw/zinc/60/73/12/600607312.db2.gz ZVVXYCNYTNGITE-CQSZACIVSA-N -1 0 348.493 3.904 20 0 EHADRM CC(C)[C@H](C)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)[O-] ZINC000736349826 600607633 /nfs/dbraw/zinc/60/76/33/600607633.db2.gz QLFDSRHENMBYIA-NSHDSACASA-N -1 0 346.254 3.741 20 0 EHADRM CCc1cc(NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])ncn1 ZINC000737252921 600611600 /nfs/dbraw/zinc/61/16/00/600611600.db2.gz XGLNYQZTQDVREV-KRWDZBQOSA-N -1 0 335.407 3.548 20 0 EHADRM C[C@@](NC(=O)CC1CCC(c2ccccc2)CC1)(C(=O)[O-])C1CC1 ZINC000237712594 600615698 /nfs/dbraw/zinc/61/56/98/600615698.db2.gz OBIBJZSGLMCBMI-SGHGTVFPSA-N -1 0 329.440 3.720 20 0 EHADRM CC1(C(=O)Nc2nc(-c3ccccc3)c(CC(=O)[O-])s2)CCCC1 ZINC000736728203 600617522 /nfs/dbraw/zinc/61/75/22/600617522.db2.gz MQADEUNBJWXZJI-UHFFFAOYSA-N -1 0 344.436 3.956 20 0 EHADRM C[C@](NC(=O)c1ccc(Oc2ccc(F)cc2)cc1)(C(=O)[O-])C1CC1 ZINC000736657146 600618668 /nfs/dbraw/zinc/61/86/68/600618668.db2.gz PMGMNESPAZRKGX-LJQANCHMSA-N -1 0 343.354 3.601 20 0 EHADRM COc1cccc([C@H](C)C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000181867430 600622236 /nfs/dbraw/zinc/62/22/36/600622236.db2.gz UILIRRLRPLSVJK-JTQLQIEISA-N -1 0 333.771 3.789 20 0 EHADRM CCc1ccc([C@H](C)NC(=O)COc2cc(C)sc2C(=O)[O-])cc1 ZINC000737259050 600638904 /nfs/dbraw/zinc/63/89/04/600638904.db2.gz KWCFYBDTOZYARK-LBPRGKRZSA-N -1 0 347.436 3.573 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1ccc(OC2CCCCC2)cc1)C(=O)[O-] ZINC000736243809 600642536 /nfs/dbraw/zinc/64/25/36/600642536.db2.gz GVISURJNUAYTTA-MRXNPFEDSA-N -1 0 333.428 3.627 20 0 EHADRM CC(C)(C)[C@H](NC(=O)/C=C/c1ccc2ccc(Cl)cc2n1)C(=O)[O-] ZINC000736243487 600644221 /nfs/dbraw/zinc/64/42/21/600644221.db2.gz VELVYNNSAIRITO-ROJDOSBLSA-N -1 0 346.814 3.517 20 0 EHADRM CCN(C(=O)CCCOc1ccc(C)cc1)c1ccccc1C(=O)[O-] ZINC000737052074 600647468 /nfs/dbraw/zinc/64/74/68/600647468.db2.gz GBEFCCSBVKDYGX-UHFFFAOYSA-N -1 0 341.407 3.905 20 0 EHADRM CCN(C(=O)c1cc2cccc(OC)c2o1)c1ccccc1C(=O)[O-] ZINC000737057149 600647782 /nfs/dbraw/zinc/64/77/82/600647782.db2.gz BSJAVJSIESJUDK-UHFFFAOYSA-N -1 0 339.347 3.806 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2cccc(OC3CCCC3)c2)C1 ZINC000179967113 600654712 /nfs/dbraw/zinc/65/47/12/600654712.db2.gz BXUOYSGBCALEQR-UONOGXRCSA-N -1 0 331.412 3.838 20 0 EHADRM Cc1cccc(CC(=O)OCCOc2ccc(C(=O)[O-])cc2Cl)c1 ZINC000832967392 600657115 /nfs/dbraw/zinc/65/71/15/600657115.db2.gz FXNADDBJJWGSOM-UHFFFAOYSA-N -1 0 348.782 3.511 20 0 EHADRM Cc1ccc(SCCOC(=O)c2ccccc2C(=O)[O-])cc1C ZINC000832958077 600658660 /nfs/dbraw/zinc/65/86/60/600658660.db2.gz VBGRBXXGHLFWFE-UHFFFAOYSA-N -1 0 330.405 3.951 20 0 EHADRM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)OCc2ccc(C(=O)[O-])o2)cc1 ZINC000736512278 600660578 /nfs/dbraw/zinc/66/05/78/600660578.db2.gz GYPMTALBIUCZRO-CVEARBPZSA-N -1 0 328.364 3.948 20 0 EHADRM CSc1ccc(O[C@H](C)C(=O)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC000675966555 600660770 /nfs/dbraw/zinc/66/07/70/600660770.db2.gz PWTKPUHJQPWUJH-GFCCVEGCSA-N -1 0 345.420 3.821 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)NC2(c3ccc(Cl)cc3)CCC2)C1 ZINC000179977905 600660752 /nfs/dbraw/zinc/66/07/52/600660752.db2.gz NJQWEJAYUYNQGL-STQMWFEESA-N -1 0 335.831 3.726 20 0 EHADRM CC(C)c1ccc([C@H]2C[C@H]2C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC000236846729 600661061 /nfs/dbraw/zinc/66/10/61/600661061.db2.gz TXTAXGAANMOFIF-FSPWUOQZSA-N -1 0 329.440 3.625 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NCCc2cc(Cl)cc(Cl)c2)C1 ZINC000179981530 600661847 /nfs/dbraw/zinc/66/18/47/600661847.db2.gz OIIJYJRQRMRDJJ-NWDGAFQWSA-N -1 0 344.238 3.543 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000827581697 600666381 /nfs/dbraw/zinc/66/63/81/600666381.db2.gz PKUSSDHEUOBHOZ-LRDDRELGSA-N -1 0 348.395 3.923 20 0 EHADRM CC(C)Cc1ccc(CC(=O)Oc2ccccc2CC(=O)[O-])cc1 ZINC000736453284 600676649 /nfs/dbraw/zinc/67/66/49/600676649.db2.gz LFKVUWUGIYHXFN-UHFFFAOYSA-N -1 0 326.392 3.660 20 0 EHADRM COc1cc(C(=O)[O-])cc(NCc2c(C)cc(C)cc2C)c1OC ZINC000737857975 600679787 /nfs/dbraw/zinc/67/97/87/600679787.db2.gz IFKHWBWMEZHBCZ-UHFFFAOYSA-N -1 0 329.396 3.939 20 0 EHADRM CC(C)(C)OC(=O)Cc1cccc(NCc2cccc(C(=O)[O-])c2)c1 ZINC000736266684 600681605 /nfs/dbraw/zinc/68/16/05/600681605.db2.gz CCEKWISQDZVDNN-UHFFFAOYSA-N -1 0 341.407 3.881 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccncc1F)c1ccc(Cl)cc1Cl ZINC000833351814 600684543 /nfs/dbraw/zinc/68/45/43/600684543.db2.gz UXZMPIMXXWAZCW-GFCCVEGCSA-N -1 0 344.125 3.510 20 0 EHADRM Cc1ccc(C(C)C)c(OS(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000738550777 600686516 /nfs/dbraw/zinc/68/65/16/600686516.db2.gz HXHNHBQTFXAING-UHFFFAOYSA-N -1 0 340.422 3.646 20 0 EHADRM CCCc1ccc(N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)cc1 ZINC000829567068 600690733 /nfs/dbraw/zinc/69/07/33/600690733.db2.gz XNIUFARCVCPSBT-OAHLLOKOSA-N -1 0 344.436 3.616 20 0 EHADRM O=C([O-])c1cccc(-c2noc(/C=C/c3cnc4ccccc4n3)n2)c1 ZINC000833327853 600693185 /nfs/dbraw/zinc/69/31/85/600693185.db2.gz JCDNBQFVARAMQO-CMDGGOBGSA-N -1 0 344.330 3.548 20 0 EHADRM O=C([O-])c1cccc(-c2noc(-c3ccc(C(F)(F)F)nc3)n2)c1 ZINC000833326372 600695663 /nfs/dbraw/zinc/69/56/63/600695663.db2.gz LAHQNMGSTMJRCW-UHFFFAOYSA-N -1 0 335.241 3.516 20 0 EHADRM O=C([O-])c1cccc(-c2noc(-c3csc(-c4ccoc4)n3)n2)c1 ZINC000833327774 600695944 /nfs/dbraw/zinc/69/59/44/600695944.db2.gz FXVVGAPKMNBRQO-UHFFFAOYSA-N -1 0 339.332 3.818 20 0 EHADRM O=C([O-])c1cccc(-c2noc(-c3cccc(Br)c3)n2)c1 ZINC000041722292 600697249 /nfs/dbraw/zinc/69/72/49/600697249.db2.gz UWFJRFLDPLGLDA-UHFFFAOYSA-N -1 0 345.152 3.864 20 0 EHADRM Cc1cc2ccccc2n1Cc1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000832906407 600698182 /nfs/dbraw/zinc/69/81/82/600698182.db2.gz CXZVSXICEXQKIG-UHFFFAOYSA-N -1 0 333.347 3.746 20 0 EHADRM O=C([O-])c1cccc(-c2noc(-c3cc(Cl)cc([N+](=O)[O-])c3)n2)c1 ZINC000325508872 600699585 /nfs/dbraw/zinc/69/95/85/600699585.db2.gz BJFSDOUXDILSRE-UHFFFAOYSA-N -1 0 345.698 3.663 20 0 EHADRM Cc1ccsc1S(=O)(=O)Oc1c(C(=O)[O-])ccc2ccccc21 ZINC000832985251 600701261 /nfs/dbraw/zinc/70/12/61/600701261.db2.gz KFBAPPUCCUNPHW-UHFFFAOYSA-N -1 0 348.401 3.676 20 0 EHADRM C[C@@H]1CC[C@@H](CCC(=O)NCc2c3ccccc3sc2C(=O)[O-])O1 ZINC000676018825 600705879 /nfs/dbraw/zinc/70/58/79/600705879.db2.gz OFJVBYMBDJXSHU-NEPJUHHUSA-N -1 0 347.436 3.563 20 0 EHADRM C[C@@H](OC(=O)[C@@H](C)CC(=O)c1ccccc1F)c1ccc(C(=O)[O-])o1 ZINC000827397622 600713312 /nfs/dbraw/zinc/71/33/12/600713312.db2.gz LQUCOBSEHHLMPK-WDEREUQCSA-N -1 0 348.326 3.630 20 0 EHADRM C[C@@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl)C(F)(F)F ZINC000826061237 600725381 /nfs/dbraw/zinc/72/53/81/600725381.db2.gz GVSVJMAVPPFKHK-SSDLBLMSSA-N -1 0 345.100 3.861 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)[C@@]1(C)CCc2ccccc2C1 ZINC000833025470 600735105 /nfs/dbraw/zinc/73/51/05/600735105.db2.gz MAVWVBGSPQSTOG-IBGZPJMESA-N -1 0 328.364 3.525 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccc(OC2CCC2)cc1)c1ccc(F)cc1 ZINC000833351614 600735108 /nfs/dbraw/zinc/73/51/08/600735108.db2.gz SPELWQHPYRALDG-KRWDZBQOSA-N -1 0 344.338 3.740 20 0 EHADRM CCCN(CC(=O)[O-])Cc1csc(-c2ccc(OCC)cc2)n1 ZINC000184908576 600739915 /nfs/dbraw/zinc/73/99/15/600739915.db2.gz TYORWWSBFGOXOA-UHFFFAOYSA-N -1 0 334.441 3.505 20 0 EHADRM Cc1cc(C)cc(CCNC(=O)Nc2cccc(C(=O)[O-])c2C)c1 ZINC000738363148 600743663 /nfs/dbraw/zinc/74/36/63/600743663.db2.gz DRHSSJYREIBXNE-UHFFFAOYSA-N -1 0 326.396 3.674 20 0 EHADRM Cc1cccc(N(C(C)C)S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000832969518 600745034 /nfs/dbraw/zinc/74/50/34/600745034.db2.gz KTOPPGLZZVPUBE-UHFFFAOYSA-N -1 0 347.436 3.605 20 0 EHADRM O=C([O-])c1cc(NC(=O)Nc2ccccc2OCC2CC2)ccc1F ZINC000739472233 600745198 /nfs/dbraw/zinc/74/51/98/600745198.db2.gz OLVKNCLMVXOFOE-UHFFFAOYSA-N -1 0 344.342 3.957 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NC2(c3cccc(Cl)c3)CC2)c(F)c1 ZINC000739467455 600746974 /nfs/dbraw/zinc/74/69/74/600746974.db2.gz WBQWDDUVRNDODO-UHFFFAOYSA-N -1 0 348.761 3.988 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)Nc2cccc(CSC3CCCC3)c2)C1 ZINC000263068243 600748317 /nfs/dbraw/zinc/74/83/17/600748317.db2.gz PPIKULZOENPRFJ-AWEZNQCLSA-N -1 0 348.468 3.801 20 0 EHADRM CC[C@H](NC(=O)N1CCC(CC(=O)[O-])CC1)C(C)(C)c1ccccc1 ZINC000828943030 600753457 /nfs/dbraw/zinc/75/34/57/600753457.db2.gz CYHLYHYPCVIUKR-KRWDZBQOSA-N -1 0 346.471 3.639 20 0 EHADRM CCO[C@H]1C[C@@H](OC(=O)c2cccc(NC(=O)[O-])c2)C12CCCC2 ZINC000737164446 600756351 /nfs/dbraw/zinc/75/63/51/600756351.db2.gz DTDVZUDWUSCACD-LSDHHAIUSA-N -1 0 333.384 3.671 20 0 EHADRM Cc1cccc2c(CC(=O)Nc3cc(C(=O)[O-])c(F)cc3F)c[nH]c21 ZINC000738747108 600768081 /nfs/dbraw/zinc/76/80/81/600768081.db2.gz BBSRXKNHKOWWOV-UHFFFAOYSA-N -1 0 344.317 3.634 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)cc1 ZINC000263239400 600775835 /nfs/dbraw/zinc/77/58/35/600775835.db2.gz DQOBTDZPAFWBMV-PGRDOPGGSA-N -1 0 349.430 3.891 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)NCCCCC1CCCC1)C2 ZINC000833325002 600778774 /nfs/dbraw/zinc/77/87/74/600778774.db2.gz KFQQJGXSSGMRDP-UHFFFAOYSA-N -1 0 330.428 3.771 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)NC(C)(C)CC(=O)[O-])c(F)c2)cc1 ZINC000738488873 600781311 /nfs/dbraw/zinc/78/13/11/600781311.db2.gz WAISPGDBKUWGAB-UHFFFAOYSA-N -1 0 329.371 3.784 20 0 EHADRM Cc1cccc([C@H](C)CNC(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000738690474 600783663 /nfs/dbraw/zinc/78/36/63/600783663.db2.gz KXIPBUYXWYAHMZ-OAHLLOKOSA-N -1 0 325.408 3.546 20 0 EHADRM Cc1cccc(C(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)c1C ZINC000237601426 600797663 /nfs/dbraw/zinc/79/76/63/600797663.db2.gz DHTVUHFGQPAPFN-UHFFFAOYSA-N -1 0 347.361 3.699 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCc1ccccc1F)c1cccc(Cl)c1 ZINC000776675221 600799555 /nfs/dbraw/zinc/79/95/55/600799555.db2.gz ZXHLQNPBELYSDA-MRXNPFEDSA-N -1 0 349.789 3.744 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000776676881 600801042 /nfs/dbraw/zinc/80/10/42/600801042.db2.gz IZGYHEPXFNGYMF-CQSZACIVSA-N -1 0 338.190 3.939 20 0 EHADRM CC(C)C[C@@H](OC(=O)c1cc(Oc2ccccc2)ccn1)C(=O)[O-] ZINC000826820723 600801418 /nfs/dbraw/zinc/80/14/18/600801418.db2.gz TVHJSQVCHHJBQV-MRXNPFEDSA-N -1 0 329.352 3.530 20 0 EHADRM O=C([O-])c1sc(-c2ccccc2)cc1OCc1nnc(C2CC2)o1 ZINC000833346489 600805047 /nfs/dbraw/zinc/80/50/47/600805047.db2.gz NONNSRAQCVRNSQ-UHFFFAOYSA-N -1 0 342.376 3.953 20 0 EHADRM COc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c(C)c1 ZINC000776679762 600805885 /nfs/dbraw/zinc/80/58/85/600805885.db2.gz XUBHNONVGGASCG-INIZCTEOSA-N -1 0 347.798 3.603 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cc(F)cc(F)c1)c1cccc(Cl)c1 ZINC000776672663 600806662 /nfs/dbraw/zinc/80/66/62/600806662.db2.gz ASPJHFIAMBKUDI-CQSZACIVSA-N -1 0 339.725 3.564 20 0 EHADRM O=C([O-])c1ccoc1CSc1ccccc1C(=O)OCCCF ZINC000740300314 600816536 /nfs/dbraw/zinc/81/65/36/600816536.db2.gz WUVKQAYYMIQVMB-UHFFFAOYSA-N -1 0 338.356 3.787 20 0 EHADRM C[C@@H](NC(=S)N1C[C@@H](CC(=O)[O-])c2ccccc21)c1cccs1 ZINC000736659984 600819744 /nfs/dbraw/zinc/81/97/44/600819744.db2.gz BGMNDZSAFQSSPA-VXGBXAGGSA-N -1 0 346.477 3.762 20 0 EHADRM C[C@@H]1CCCC[C@@H]1NC(=S)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000736783840 600819845 /nfs/dbraw/zinc/81/98/45/600819845.db2.gz HTINYVDJIZTMDS-NFAWXSAZSA-N -1 0 332.469 3.518 20 0 EHADRM C[C@@H](NC(=S)N1C[C@H](CC(=O)[O-])c2ccccc21)c1cccs1 ZINC000736659978 600819953 /nfs/dbraw/zinc/81/99/53/600819953.db2.gz BGMNDZSAFQSSPA-NEPJUHHUSA-N -1 0 346.477 3.762 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=S)Nc2ccccc2F)c2ccccc21 ZINC000739654903 600820869 /nfs/dbraw/zinc/82/08/69/600820869.db2.gz ZKMMAUCBEUOEEB-NSHDSACASA-N -1 0 330.384 3.601 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000675947718 600827467 /nfs/dbraw/zinc/82/74/67/600827467.db2.gz SCOAPRMNULWZJX-QZTJIDSGSA-N -1 0 329.440 3.706 20 0 EHADRM Cc1c(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)cccc1C(=O)[O-] ZINC000675965825 600830639 /nfs/dbraw/zinc/83/06/39/600830639.db2.gz BITQYNRZNFAMTM-GXTWGEPZSA-N -1 0 331.318 3.714 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000263030523 600834325 /nfs/dbraw/zinc/83/43/25/600834325.db2.gz UOVUWPADFMVLQK-CVEARBPZSA-N -1 0 331.412 3.613 20 0 EHADRM Cc1cc(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)ccc1C(=O)[O-] ZINC000237821789 600838829 /nfs/dbraw/zinc/83/88/29/600838829.db2.gz OXMUKBBODWNWLM-KGLIPLIRSA-N -1 0 331.318 3.714 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)cc1 ZINC000238045335 600839525 /nfs/dbraw/zinc/83/95/25/600839525.db2.gz DGDZFNWUEYYXCJ-LSDHHAIUSA-N -1 0 345.345 3.724 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC000621564841 600842008 /nfs/dbraw/zinc/84/20/08/600842008.db2.gz XFXSWSVTOIZQHN-ZJUUUORDSA-N -1 0 327.327 3.751 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)CC(=O)c1ccccc1F ZINC000832914710 600848219 /nfs/dbraw/zinc/84/82/19/600848219.db2.gz GKDSYDACFYQNDS-LBPRGKRZSA-N -1 0 343.354 3.680 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)Cc2cccc3ccccc32)c2ccccc21 ZINC000739646630 600848279 /nfs/dbraw/zinc/84/82/79/600848279.db2.gz NPAHAKAHLTYUMW-QGZVFWFLSA-N -1 0 345.398 3.987 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2SCCc3sccc32)ccc1F ZINC000767096272 600851772 /nfs/dbraw/zinc/85/17/72/600851772.db2.gz QOARWMAPKUQILP-CYBMUJFWSA-N -1 0 337.397 3.555 20 0 EHADRM C[C@@H](CC(=O)c1ccccc1F)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000827398294 600851847 /nfs/dbraw/zinc/85/18/47/600851847.db2.gz VUIQWXHQIXSJIE-JTQLQIEISA-N -1 0 347.317 3.511 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000262273803 600853748 /nfs/dbraw/zinc/85/37/48/600853748.db2.gz IYTYTXFZEXECNC-JQFCIGGWSA-N -1 0 333.428 3.626 20 0 EHADRM C[C@@H](CC(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21)c1ccc(F)cc1 ZINC000736545549 600859242 /nfs/dbraw/zinc/85/92/42/600859242.db2.gz RYBHPXAMYVSTFR-DZGCQCFKSA-N -1 0 341.382 3.924 20 0 EHADRM Cc1cc2cc(C(=O)N3[C@H](C(=O)[O-])C[C@H]4CCCC[C@@H]43)oc2cc1C ZINC000237836183 600861705 /nfs/dbraw/zinc/86/17/05/600861705.db2.gz FAVJQYGHRUZBHQ-KBMXLJTQSA-N -1 0 341.407 3.908 20 0 EHADRM CC/C=C(/C)C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000736948285 600867610 /nfs/dbraw/zinc/86/76/10/600867610.db2.gz KXPFTVOTZHDVQV-DAXSKMNVSA-N -1 0 330.153 3.581 20 0 EHADRM CC(C)Cc1ccc([C@H](C)NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000326635285 600870881 /nfs/dbraw/zinc/87/08/81/600870881.db2.gz RXGZPCRKCWCTLX-JCGIZDLHSA-N -1 0 331.456 3.953 20 0 EHADRM O=C([O-])c1cccc(Cc2cnc(NC(=O)CC3CCC3)s2)c1 ZINC000833093883 600872494 /nfs/dbraw/zinc/87/24/94/600872494.db2.gz LBFAMYOMIIMOLH-UHFFFAOYSA-N -1 0 330.409 3.561 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)CCC2CCCCC2)c1OC ZINC000262532603 600872708 /nfs/dbraw/zinc/87/27/08/600872708.db2.gz STNXCOLHPVTYIW-UHFFFAOYSA-N -1 0 335.400 3.701 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)c1OC ZINC000675998505 600875778 /nfs/dbraw/zinc/87/57/78/600875778.db2.gz UAJFFXAHVAAJDA-IUODEOHRSA-N -1 0 347.411 3.579 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)C[C@@H](C)CC(C)(C)C)c1OC ZINC000737852234 600875963 /nfs/dbraw/zinc/87/59/63/600875963.db2.gz QAYLPOJZNHBDTC-LLVKDONJSA-N -1 0 337.416 3.803 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)c1OC ZINC000675998506 600876003 /nfs/dbraw/zinc/87/60/03/600876003.db2.gz UAJFFXAHVAAJDA-SWLSCSKDSA-N -1 0 347.411 3.579 20 0 EHADRM Cc1cc(NC(=O)[C@H](C)CC(=O)c2ccccc2F)ccc1C(=O)[O-] ZINC000832893631 600876684 /nfs/dbraw/zinc/87/66/84/600876684.db2.gz VDSSKDFCNGZSGV-GFCCVEGCSA-N -1 0 343.354 3.680 20 0 EHADRM C[C@H](CC(=O)Nc1cc(C(=O)[O-])ccc1F)C(=O)c1cccc(F)c1 ZINC000827234644 600876944 /nfs/dbraw/zinc/87/69/44/600876944.db2.gz HTKLKCZNFHAXCT-SNVBAGLBSA-N -1 0 347.317 3.511 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000479520397 600877788 /nfs/dbraw/zinc/87/77/88/600877788.db2.gz WPBIEHLVHIZPBA-LLVKDONJSA-N -1 0 333.334 3.870 20 0 EHADRM CCOc1ccc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC000261756762 600879806 /nfs/dbraw/zinc/87/98/06/600879806.db2.gz VJPRZWYQQQAATH-UHFFFAOYSA-N -1 0 327.380 3.700 20 0 EHADRM Cc1ccc([C@H](CNC(=O)[C@@H](c2ccccc2)C(C)C)C(=O)[O-])cc1 ZINC000540671489 600880580 /nfs/dbraw/zinc/88/05/80/600880580.db2.gz RSCKAMBDSYOCGX-RBUKOAKNSA-N -1 0 339.435 3.719 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000683304021 600881965 /nfs/dbraw/zinc/88/19/65/600881965.db2.gz OJSOVCQOHQYIQB-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)/C=C/c2cccc(F)c2)cc1 ZINC000325309053 600882074 /nfs/dbraw/zinc/88/20/74/600882074.db2.gz RZLYIMZGXUVIDR-IZZDOVSWSA-N -1 0 327.355 3.840 20 0 EHADRM C[C@H]1CCC[C@@H](OCC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C1 ZINC000532264279 600883237 /nfs/dbraw/zinc/88/32/37/600883237.db2.gz JMPFCYFYMGZMCH-XJKSGUPXSA-N -1 0 333.428 3.583 20 0 EHADRM COc1cc(C)sc1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000262774028 600883322 /nfs/dbraw/zinc/88/33/22/600883322.db2.gz MPQYYEHUYDUAHY-UHFFFAOYSA-N -1 0 333.409 3.680 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000192948833 600883391 /nfs/dbraw/zinc/88/33/91/600883391.db2.gz PURKYJYXILVCGS-CJNGLKHVSA-N -1 0 341.382 3.609 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NCC2(c3ccccc3)CCCCC2)C1 ZINC000540924167 600888001 /nfs/dbraw/zinc/88/80/01/600888001.db2.gz GEWCMSIEQTZGRQ-SJORKVTESA-N -1 0 343.467 3.896 20 0 EHADRM CC(C)Oc1cccc([C@H](C)NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000245749115 600891463 /nfs/dbraw/zinc/89/14/63/600891463.db2.gz TUCBCLYFXXFLNT-CWRNSKLLSA-N -1 0 333.428 3.542 20 0 EHADRM C[C@]1(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)CCc2ccccc2C1 ZINC000827965740 600893233 /nfs/dbraw/zinc/89/32/33/600893233.db2.gz HWULATRJDBQFNV-JTSKRJEESA-N -1 0 349.430 3.787 20 0 EHADRM CCCOc1ccc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1Cl ZINC000323908759 600899688 /nfs/dbraw/zinc/89/96/88/600899688.db2.gz JHBILYQLQZCERM-NWDGAFQWSA-N -1 0 339.819 3.958 20 0 EHADRM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000035424938 600901504 /nfs/dbraw/zinc/90/15/04/600901504.db2.gz NNUPDEXSBORBBJ-MRVPVSSYSA-N -1 0 325.773 3.506 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000439811426 600901868 /nfs/dbraw/zinc/90/18/68/600901868.db2.gz VCTLFDVHQDBSQO-SJCJKPOMSA-N -1 0 327.355 3.747 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000263269779 600902990 /nfs/dbraw/zinc/90/29/90/600902990.db2.gz LVNVYDVKNCGHMD-ZWNOBZJWSA-N -1 0 333.384 3.809 20 0 EHADRM CCCN(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)[C@H]1CCc2ccccc21 ZINC000829453216 600914187 /nfs/dbraw/zinc/91/41/87/600914187.db2.gz PRPFKFQEOUGWDV-RYRKJORJSA-N -1 0 329.440 3.804 20 0 EHADRM COc1cccc(N(CC(C)C)C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000832558955 600915650 /nfs/dbraw/zinc/91/56/50/600915650.db2.gz USTQBVIMBSMXQK-CABCVRRESA-N -1 0 333.428 3.575 20 0 EHADRM CC(C)C[C@@H](CNC(=O)[C@H](C)Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000317186156 600918780 /nfs/dbraw/zinc/91/87/80/600918780.db2.gz HNZKMWZSFIRFQY-RYUDHWBXSA-N -1 0 343.876 3.684 20 0 EHADRM CC(C)C[C@@H](CNC(=O)c1ccc(-c2ccc(F)cc2)o1)C(=O)[O-] ZINC000262411772 600923200 /nfs/dbraw/zinc/92/32/00/600923200.db2.gz ABANFCWONIBOEH-ZDUSSCGKSA-N -1 0 333.359 3.562 20 0 EHADRM CCC(CC)(NC(=O)[C@@H](C)Sc1ccccc1Cl)C(=O)[O-] ZINC000342569339 600925049 /nfs/dbraw/zinc/92/50/49/600925049.db2.gz POXRFDKGAAPGRG-SNVBAGLBSA-N -1 0 329.849 3.580 20 0 EHADRM CC(C)C[C@H](CNC(=O)CCCc1ccc(Cl)cc1)C(=O)[O-] ZINC000262520614 600926233 /nfs/dbraw/zinc/92/62/33/600926233.db2.gz QNGKZFMTCXGMPW-CQSZACIVSA-N -1 0 325.836 3.526 20 0 EHADRM CCC(CC)(NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000316723824 600926752 /nfs/dbraw/zinc/92/67/52/600926752.db2.gz JUASLIZZJHWGEC-SECBINFHSA-N -1 0 348.226 3.520 20 0 EHADRM CCC(CC)(NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000342568479 600927875 /nfs/dbraw/zinc/92/78/75/600927875.db2.gz OKMGBNALFIECSD-LLVKDONJSA-N -1 0 345.361 3.959 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@@H](C)Sc1ccccc1Cl)C(=O)[O-] ZINC000486286730 600927855 /nfs/dbraw/zinc/92/78/55/600927855.db2.gz VXORGRYUFKDNOK-VXGBXAGGSA-N -1 0 343.876 3.684 20 0 EHADRM CCC(CC)(NC(=O)c1ccc(COc2ccccc2)cc1)C(=O)[O-] ZINC000342560055 600928337 /nfs/dbraw/zinc/92/83/37/600928337.db2.gz HEKFETRKRBXHCG-UHFFFAOYSA-N -1 0 341.407 3.639 20 0 EHADRM CCCC[C@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(OC)cc1 ZINC000829285345 600930163 /nfs/dbraw/zinc/93/01/63/600930163.db2.gz KZKHGRHMQNASMP-RYRKJORJSA-N -1 0 347.455 3.934 20 0 EHADRM CN(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)[C@H](c1ccccc1)C(F)(F)F ZINC000830456120 600931089 /nfs/dbraw/zinc/93/10/89/600931089.db2.gz CEXDJYLJNSRKBU-MGPQQGTHSA-N -1 0 343.345 3.639 20 0 EHADRM CCCC[C@@H](Sc1nc2ccccc2c(=O)n1CCCC)C(=O)[O-] ZINC000736986665 600935948 /nfs/dbraw/zinc/93/59/48/600935948.db2.gz YERAPOAWEHDAIM-OAHLLOKOSA-N -1 0 348.468 3.932 20 0 EHADRM Cc1ccc(CCC(=O)N(CCC(=O)[O-])c2cccc(F)c2)c(C)c1 ZINC000738589620 600938333 /nfs/dbraw/zinc/93/83/33/600938333.db2.gz RYDINHOWZXNCRG-UHFFFAOYSA-N -1 0 343.398 3.883 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC000829009981 600939015 /nfs/dbraw/zinc/93/90/15/600939015.db2.gz XMVBIPAUMUSMBC-JQFCIGGWSA-N -1 0 334.412 3.593 20 0 EHADRM Cc1ccc(CCC(=O)N(CCC(=O)[O-])c2cccc(F)c2)cc1 ZINC000738590025 600939264 /nfs/dbraw/zinc/93/92/64/600939264.db2.gz YUFJSERJALZMGP-UHFFFAOYSA-N -1 0 329.371 3.575 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OC(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000833299904 600940693 /nfs/dbraw/zinc/94/06/93/600940693.db2.gz XGJHWPJVBGFWOA-BEFAXECRSA-N -1 0 342.778 3.848 20 0 EHADRM Cc1ccc(OC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)c(C(=O)[O-])c1 ZINC000832953513 600946352 /nfs/dbraw/zinc/94/63/52/600946352.db2.gz VDAFOFBESGBQSS-YPMHNXCESA-N -1 0 332.302 3.681 20 0 EHADRM C[C@@H](C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1)c1cccc(F)c1 ZINC000826061164 600947960 /nfs/dbraw/zinc/94/79/60/600947960.db2.gz CCBOGXOGZYYRJY-BMIGLBTASA-N -1 0 336.746 3.952 20 0 EHADRM Cc1nc(-c2cccs2)sc1C(=O)O[C@H](CC(C)C)C(=O)[O-] ZINC000832993293 600958679 /nfs/dbraw/zinc/95/86/79/600958679.db2.gz PWRKCWGDQCKOPP-SNVBAGLBSA-N -1 0 339.438 3.836 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)o1 ZINC000832929051 600962694 /nfs/dbraw/zinc/96/26/94/600962694.db2.gz JIKAISLSLTWYEF-HZMBPMFUSA-N -1 0 344.411 3.845 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)C1 ZINC000245724189 600963557 /nfs/dbraw/zinc/96/35/57/600963557.db2.gz PDYVGDZPNDMVAK-LUKYLMHMSA-N -1 0 329.440 3.590 20 0 EHADRM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)Oc2ccc(C(=O)[O-])cc2)cc1 ZINC000832927646 600964161 /nfs/dbraw/zinc/96/41/61/600964161.db2.gz GKYIGLNZCOJVIO-ROUUACIJSA-N -1 0 340.375 3.767 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000827427498 600968257 /nfs/dbraw/zinc/96/82/57/600968257.db2.gz HPWCAMAMRJPFKA-CYBMUJFWSA-N -1 0 329.371 3.756 20 0 EHADRM CCOc1cccc(NC(=S)Nc2cc(C(=O)[O-])ccc2F)c1 ZINC000830104213 600970449 /nfs/dbraw/zinc/97/04/49/600970449.db2.gz BCWIHFQHGLCTKL-UHFFFAOYSA-N -1 0 334.372 3.732 20 0 EHADRM C[C@@H]1CN([C@H](C(=O)[O-])c2ccc(F)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000581671724 600971716 /nfs/dbraw/zinc/97/17/16/600971716.db2.gz FRLWMTBTASOECQ-PJSAGSTRSA-N -1 0 347.361 3.553 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000833293642 600972856 /nfs/dbraw/zinc/97/28/56/600972856.db2.gz BPISYCKJOVMQHT-JLTOFOAXSA-N -1 0 339.366 3.757 20 0 EHADRM CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000826687612 600976574 /nfs/dbraw/zinc/97/65/74/600976574.db2.gz LLRCPEHNZPHHJS-RYRKJORJSA-N -1 0 349.446 3.742 20 0 EHADRM CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CC[C@@H]1c1ccccc1 ZINC000180134125 600981038 /nfs/dbraw/zinc/98/10/38/600981038.db2.gz UVHKNRIJFVVVKT-YSHGAJCASA-N -1 0 343.467 3.920 20 0 EHADRM O=C([O-])c1ccoc1CSc1n[nH]c(-c2ccc3c(c2)CCC3)n1 ZINC000740254709 600992445 /nfs/dbraw/zinc/99/24/45/600992445.db2.gz ZAMGMMSCEMBLIP-UHFFFAOYSA-N -1 0 341.392 3.544 20 0 EHADRM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC000345787659 600998866 /nfs/dbraw/zinc/99/88/66/600998866.db2.gz WGYKAYPGIYXGGG-MLGOLLRUSA-N -1 0 331.799 3.776 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)[C@@H](C)c1cccc(F)c1 ZINC000737871281 601000518 /nfs/dbraw/zinc/00/05/18/601000518.db2.gz JLZFQNJZTZERSB-UPZNUWHASA-N -1 0 344.338 3.641 20 0 EHADRM CCC[C@@](C)(NC(=O)[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000736955005 601002335 /nfs/dbraw/zinc/00/23/35/601002335.db2.gz WMVDXJQGUDJPSG-ZUZCIYMTSA-N -1 0 331.334 3.569 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000362333155 601002542 /nfs/dbraw/zinc/00/25/42/601002542.db2.gz KZPJNGQLMAFGAZ-LJQANCHMSA-N -1 0 339.435 3.725 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)N2CCC(C3CCCC3)CC2)cc1 ZINC000833254713 601004397 /nfs/dbraw/zinc/00/43/97/601004397.db2.gz AKQDACSBFHVPKN-UHFFFAOYSA-N -1 0 346.427 3.584 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC000262425256 601004775 /nfs/dbraw/zinc/00/47/75/601004775.db2.gz QZNHHHPTAYXJGA-IBGZPJMESA-N -1 0 339.435 3.726 20 0 EHADRM CO[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000831512085 601007706 /nfs/dbraw/zinc/00/77/06/601007706.db2.gz WQMBYLUSMOCTBQ-HNNXBMFYSA-N -1 0 348.786 3.547 20 0 EHADRM CO[C@@H](CNC(=O)Nc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000831519026 601009370 /nfs/dbraw/zinc/00/93/70/601009370.db2.gz IGPXAFZHYDKIAS-HNNXBMFYSA-N -1 0 348.786 3.547 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000236745247 601010965 /nfs/dbraw/zinc/01/09/65/601010965.db2.gz WGWBUAPUHYSBKW-ZIAGYGMSSA-N -1 0 344.238 3.809 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1cnc2ccsc2c1)c1ccccc1 ZINC000736850209 601011452 /nfs/dbraw/zinc/01/14/52/601011452.db2.gz DNSBSKBZRACOJI-HNNXBMFYSA-N -1 0 340.404 3.806 20 0 EHADRM CC[C@](C)(NC(=O)Nc1ccc(NC(=O)[O-])cc1)c1nc(C)cs1 ZINC000737775372 601020070 /nfs/dbraw/zinc/02/00/70/601020070.db2.gz UJEZTQZYXLJSCH-INIZCTEOSA-N -1 0 348.428 3.988 20 0 EHADRM CCO[C@@H]1C[C@H](NC(=O)Nc2cccc(NC(=O)[O-])c2)C12CCCC2 ZINC000829926355 601023231 /nfs/dbraw/zinc/02/32/31/601023231.db2.gz WRGXSGVKWJZBLV-LSDHHAIUSA-N -1 0 347.415 3.636 20 0 EHADRM C[C@H](CC(=O)N(CCC(=O)[O-])c1cccc(F)c1)c1cccc(F)c1 ZINC000736545935 601026031 /nfs/dbraw/zinc/02/60/31/601026031.db2.gz STCCJYJMEWWOMQ-CYBMUJFWSA-N -1 0 347.361 3.966 20 0 EHADRM CSCc1ccc(C(=O)N(CCC(=O)[O-])c2cccc(F)c2)cc1 ZINC000738194993 601026431 /nfs/dbraw/zinc/02/64/31/601026431.db2.gz OMGWVLDXFLPSCK-UHFFFAOYSA-N -1 0 347.411 3.810 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])c1 ZINC000391664762 601029863 /nfs/dbraw/zinc/02/98/63/601029863.db2.gz MCEUNDIFHWHLAO-KBPBESRZSA-N -1 0 336.432 3.732 20 0 EHADRM CC1CCC(N(C[C@H]2CCCO2)C(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000236786834 601034320 /nfs/dbraw/zinc/03/43/20/601034320.db2.gz DFJFWXBDSHCPAQ-IUPXNIOVSA-N -1 0 345.439 3.585 20 0 EHADRM Cc1cccc2cc(C(=O)N(c3ncc(C(=O)[O-])s3)C3CC3)oc21 ZINC000738750637 601036059 /nfs/dbraw/zinc/03/60/59/601036059.db2.gz XGBQICKCEIIBFP-UHFFFAOYSA-N -1 0 342.376 3.705 20 0 EHADRM Cc1ccc(O[C@@H](C)CNC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000832950649 601040874 /nfs/dbraw/zinc/04/08/74/601040874.db2.gz KPGMTBNQGJAORG-AWEZNQCLSA-N -1 0 342.395 3.591 20 0 EHADRM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000828121030 601046187 /nfs/dbraw/zinc/04/61/87/601046187.db2.gz BGHIKWBZBPXGJB-FXAWDEMLSA-N -1 0 338.407 3.556 20 0 EHADRM CN(Cc1ccc(NC(=O)N[C@@H]2C[C@H]2C2CCCCC2)cc1)C(=O)[O-] ZINC000830835629 601051672 /nfs/dbraw/zinc/05/16/72/601051672.db2.gz IGFFQPPEIARKRU-DLBZAZTESA-N -1 0 345.443 3.887 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)N[C@H]2C[C@H]2C2CCCCC2)cc1 ZINC000833280707 601053493 /nfs/dbraw/zinc/05/34/93/601053493.db2.gz AMHCHGUZOVZWGY-HOTGVXAUSA-N -1 0 331.416 3.545 20 0 EHADRM O=C([O-])[C@@H](OC(=O)CCc1c[nH]c2ccccc12)c1ccccc1F ZINC000833100519 601057782 /nfs/dbraw/zinc/05/77/82/601057782.db2.gz GAIRJJKRFZZRPK-SFHVURJKSA-N -1 0 341.338 3.609 20 0 EHADRM C[C@@H](C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c1ccc(Cl)c(Cl)c1 ZINC000675987266 601059133 /nfs/dbraw/zinc/05/91/33/601059133.db2.gz VJEIUYVSTRHCTR-PELKAZGASA-N -1 0 332.227 3.712 20 0 EHADRM C[C@H](CN(C)C(=O)C[C@@H](Cc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000262928410 601061733 /nfs/dbraw/zinc/06/17/33/601061733.db2.gz GBWHZCZZEQCRAP-VQIMIIECSA-N -1 0 339.435 3.582 20 0 EHADRM Cc1ccc(NC(=O)CSc2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC000237620912 601062421 /nfs/dbraw/zinc/06/24/21/601062421.db2.gz KSNBILATCDOYDU-UHFFFAOYSA-N -1 0 337.347 3.702 20 0 EHADRM C[C@H](OC(=O)c1ccccc1C(F)(F)F)c1ccc(C(=O)[O-])o1 ZINC000827867491 601063701 /nfs/dbraw/zinc/06/37/01/601063701.db2.gz OQSUOPRAAIUZMU-QMMMGPOBSA-N -1 0 328.242 3.915 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC2CC(c3cccc(Cl)c3)C2)cc1 ZINC000740111015 601066180 /nfs/dbraw/zinc/06/61/80/601066180.db2.gz OVRIXKAJPHBQTP-UHFFFAOYSA-N -1 0 329.783 3.714 20 0 EHADRM Cc1ccc(NC(=O)[C@H](C)CCOc2ccccc2)c(C(=O)[O-])c1 ZINC000541588132 601066776 /nfs/dbraw/zinc/06/67/76/601066776.db2.gz RKZJRSMECXCUOY-CQSZACIVSA-N -1 0 327.380 3.737 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1cc2ccc(F)cc2s1)c1ccccc1 ZINC000325307807 601070511 /nfs/dbraw/zinc/07/05/11/601070511.db2.gz XSCRJRFWWPOCRU-CQSZACIVSA-N -1 0 343.379 3.639 20 0 EHADRM CCSCc1cccc(NC(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC000417754708 601073612 /nfs/dbraw/zinc/07/36/12/601073612.db2.gz VXLXPWKORPKEOG-UHFFFAOYSA-N -1 0 336.457 3.705 20 0 EHADRM Cc1cc(F)cc(C(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1 ZINC000832887696 601082465 /nfs/dbraw/zinc/08/24/65/601082465.db2.gz YCZPCJQZXISYQJ-RDJZCZTQSA-N -1 0 333.403 3.630 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)c1ccc(Cl)s1 ZINC000833181090 601085823 /nfs/dbraw/zinc/08/58/23/601085823.db2.gz ZMNNYDNKIWJCBA-RYUDHWBXSA-N -1 0 341.860 3.897 20 0 EHADRM C[C@H](c1ccco1)N(C)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000827956142 601087809 /nfs/dbraw/zinc/08/78/09/601087809.db2.gz FYGOYEVLTLBODZ-GFCCVEGCSA-N -1 0 330.384 3.867 20 0 EHADRM CN(Cc1ccc(F)cc1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000327520428 601088188 /nfs/dbraw/zinc/08/81/88/601088188.db2.gz ICINQDIOLPOBNP-UHFFFAOYSA-N -1 0 344.386 3.852 20 0 EHADRM C[C@H](C(=O)N1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-])c1ccsc1 ZINC000825978010 601093084 /nfs/dbraw/zinc/09/30/84/601093084.db2.gz VKTDDXTXEYGQRX-APHBMKBZSA-N -1 0 335.469 3.734 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1ccccc1 ZINC000327963541 601097087 /nfs/dbraw/zinc/09/70/87/601097087.db2.gz MMNFKEYAEIWGPA-CQSZACIVSA-N -1 0 340.423 3.974 20 0 EHADRM Cc1cc(C(=O)O[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)c(C)[nH]1 ZINC000832868679 601102536 /nfs/dbraw/zinc/10/25/36/601102536.db2.gz RKUJIKVRYBCXLR-ZDUSSCGKSA-N -1 0 342.178 3.921 20 0 EHADRM CCN(C(=O)c1cc(Cl)cc(Cl)c1)c1ncc(C(=O)[O-])s1 ZINC000737058965 601112877 /nfs/dbraw/zinc/11/28/77/601112877.db2.gz XRIBESFHRNLBFX-UHFFFAOYSA-N -1 0 345.207 3.815 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2ccc(COC3CCCC3)cc2)CCC1 ZINC000833203379 601131956 /nfs/dbraw/zinc/13/19/56/601131956.db2.gz WAYJJQOFSSOZQK-UHFFFAOYSA-N -1 0 346.427 3.665 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N[C@@H]2CCCc3[nH]ccc32)cc1 ZINC000826118122 601132279 /nfs/dbraw/zinc/13/22/79/601132279.db2.gz AYVFRNQWASOPGD-MRXNPFEDSA-N -1 0 341.411 3.576 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)N(C2CC2)C2CCCC2)c1 ZINC000833263685 601133363 /nfs/dbraw/zinc/13/33/63/601133363.db2.gz QJNKGJQUZOZOLL-UHFFFAOYSA-N -1 0 348.468 3.943 20 0 EHADRM Cc1ccc(NC(=O)NCc2nc(C(C)(C)C)cs2)cc1C(=O)[O-] ZINC000832948581 601137348 /nfs/dbraw/zinc/13/73/48/601137348.db2.gz RKDOHBCRDDOYOO-UHFFFAOYSA-N -1 0 347.440 3.769 20 0 EHADRM Cc1ccc(NC(=O)NCc2ccc3ccccc3n2)cc1C(=O)[O-] ZINC000832947151 601143783 /nfs/dbraw/zinc/14/37/83/601143783.db2.gz QEQPXWCFNYESRK-UHFFFAOYSA-N -1 0 335.363 3.563 20 0 EHADRM O=C([O-])c1ccc(C(=O)Oc2ccc(Oc3nccs3)cc2)s1 ZINC000833312771 601143896 /nfs/dbraw/zinc/14/38/96/601143896.db2.gz XLJHJFVUGCLUQZ-UHFFFAOYSA-N -1 0 347.373 3.914 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Oc2ccc(N3CCCC3)cc2)cc1 ZINC000833101922 601143980 /nfs/dbraw/zinc/14/39/80/601143980.db2.gz GSMXKTWDQZMIRY-UHFFFAOYSA-N -1 0 339.391 3.523 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1C(=O)[O-] ZINC000832947582 601145321 /nfs/dbraw/zinc/14/53/21/601145321.db2.gz SCQPMPGCHFTWCA-WDEREUQCSA-N -1 0 344.333 3.936 20 0 EHADRM O=C([O-])CN(C(=O)c1cc(Cl)ccc1Cl)c1cccc(F)c1 ZINC000833245380 601147020 /nfs/dbraw/zinc/14/70/20/601147020.db2.gz OJMYWPDPTUVBNP-UHFFFAOYSA-N -1 0 342.153 3.864 20 0 EHADRM C[C@H](OC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1nc2ccccc2s1 ZINC000827825298 601147264 /nfs/dbraw/zinc/14/72/64/601147264.db2.gz DFHHMONDGWTPBJ-TUAOUCFPSA-N -1 0 333.409 3.792 20 0 EHADRM C[C@H](OC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1nc2ccccc2s1 ZINC000827825295 601147350 /nfs/dbraw/zinc/14/73/50/601147350.db2.gz DFHHMONDGWTPBJ-SRVKXCTJSA-N -1 0 333.409 3.792 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Oc2ccc(Oc3ccccn3)cc2)C1 ZINC000833187621 601149080 /nfs/dbraw/zinc/14/90/80/601149080.db2.gz RKNATWVKWPQESI-UONOGXRCSA-N -1 0 341.363 3.670 20 0 EHADRM Cc1sc(NC(=O)c2cc(C)c(F)cc2F)c(C(=O)[O-])c1C ZINC000317010915 601150639 /nfs/dbraw/zinc/15/06/39/601150639.db2.gz JGIXJRYNVTWBEV-UHFFFAOYSA-N -1 0 325.336 3.902 20 0 EHADRM CC[C@H](C)[C@@H](C)N(C(=O)NCCc1ccc(NC(=O)[O-])cc1)C1CC1 ZINC000828710518 601150817 /nfs/dbraw/zinc/15/08/17/601150817.db2.gz ZOABTYQOKSWPHU-UONOGXRCSA-N -1 0 347.459 3.928 20 0 EHADRM Cc1ccc(N(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)C2CCCCC2)nc1 ZINC000832936078 601155383 /nfs/dbraw/zinc/15/53/83/601155383.db2.gz WNAKEBMPXPTRPZ-HOTGVXAUSA-N -1 0 344.455 3.947 20 0 EHADRM Cc1ccc(SC2(C(=O)NCCCCC(=O)[O-])CCCC2)cc1 ZINC000237759933 601159808 /nfs/dbraw/zinc/15/98/08/601159808.db2.gz ANAFANDGPLHIMF-UHFFFAOYSA-N -1 0 335.469 3.771 20 0 EHADRM O=C([O-])CCCNC(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC000676211568 601177946 /nfs/dbraw/zinc/17/79/46/601177946.db2.gz SGLFTFRTNCMOCL-UHFFFAOYSA-N -1 0 333.771 3.727 20 0 EHADRM Cc1[nH]c(C(=O)CN2CC[C@H]2c2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC000832844489 601179474 /nfs/dbraw/zinc/17/94/74/601179474.db2.gz RAVOITXKWHCFPL-AWEZNQCLSA-N -1 0 346.814 3.613 20 0 EHADRM CCSCc1ccc(C(=O)NC2(CC(=O)[O-])CCCCC2)cc1 ZINC000531999862 601184826 /nfs/dbraw/zinc/18/48/26/601184826.db2.gz YNGRWQDGLQJKMX-UHFFFAOYSA-N -1 0 335.469 3.847 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2ccc(Oc3ccccc3)o2)c1O ZINC000833157935 601185547 /nfs/dbraw/zinc/18/55/47/601185547.db2.gz FAFUSCZQIVVHLH-UHFFFAOYSA-N -1 0 339.303 3.728 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000532603047 601187492 /nfs/dbraw/zinc/18/74/92/601187492.db2.gz DGEBSQAUSMPGAQ-AWEZNQCLSA-N -1 0 335.419 3.688 20 0 EHADRM O=C([O-])c1ccoc1COC(=O)c1ccc(Oc2ccccc2)o1 ZINC000833353900 601189643 /nfs/dbraw/zinc/18/96/43/601189643.db2.gz XOZNPDYHFRXSNM-UHFFFAOYSA-N -1 0 328.276 3.720 20 0 EHADRM Cc1ccc(-c2cc(COC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)on2)cc1 ZINC000832905574 601190549 /nfs/dbraw/zinc/19/05/49/601190549.db2.gz BOQCQLYTAHCQIJ-GJZGRUSLSA-N -1 0 343.379 3.584 20 0 EHADRM CCS[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000388636453 601190601 /nfs/dbraw/zinc/19/06/01/601190601.db2.gz BNFACWLRZOKDNK-STQMWFEESA-N -1 0 342.848 3.834 20 0 EHADRM O=C([O-])C[C@@H](O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000833265109 601207980 /nfs/dbraw/zinc/20/79/80/601207980.db2.gz SSDIGIHYPIUXQI-WBVHZDCISA-N -1 0 336.840 3.998 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)N1CCC(C(=O)[O-])CC1)C(C)(C)C ZINC000263304448 601213674 /nfs/dbraw/zinc/21/36/74/601213674.db2.gz XMNYPVFNKWTHJU-MRXNPFEDSA-N -1 0 332.444 3.588 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)NC1CCN(C(=O)[O-])CC1)C(C)(C)C ZINC000832981453 601213705 /nfs/dbraw/zinc/21/37/05/601213705.db2.gz IBDFFGDVYNSOKB-INIZCTEOSA-N -1 0 347.459 3.524 20 0 EHADRM C[C@@H]1CC[C@H](C)N(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC000828214915 601221469 /nfs/dbraw/zinc/22/14/69/601221469.db2.gz VZTYAJSKKCOOLJ-KGLIPLIRSA-N -1 0 345.443 3.637 20 0 EHADRM C[C@@H](c1ccc(F)cc1)N(C)C(=O)COc1ccccc1NC(=O)[O-] ZINC000827934752 601228247 /nfs/dbraw/zinc/22/82/47/601228247.db2.gz JHAMHRDBNDSWLA-LBPRGKRZSA-N -1 0 346.358 3.514 20 0 EHADRM Nc1ccc(C(=O)OCc2c3ccccc3sc2C(=O)[O-])cc1F ZINC000833091814 601241652 /nfs/dbraw/zinc/24/16/52/601241652.db2.gz WQYNIMGRNIACLR-UHFFFAOYSA-N -1 0 345.351 3.678 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)c1cc(C2CC2)nc2ccccc21 ZINC000683325383 601255369 /nfs/dbraw/zinc/25/53/69/601255369.db2.gz OXRAJVYJIKZTNN-CQSZACIVSA-N -1 0 338.407 3.582 20 0 EHADRM COc1cccc(C(C)=CC(=O)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000832528826 601255522 /nfs/dbraw/zinc/25/55/22/601255522.db2.gz RQZHJYNASPRCCQ-BENRWUELSA-N -1 0 326.352 3.827 20 0 EHADRM CCCn1c(C)cc(C(=O)COc2cccc(NC(=O)[O-])c2)c1C ZINC000829579381 601261762 /nfs/dbraw/zinc/26/17/62/601261762.db2.gz HCNXUHXHBIQSKJ-UHFFFAOYSA-N -1 0 330.384 3.867 20 0 EHADRM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)CCCN(C)C(=O)[O-] ZINC000827934028 601271156 /nfs/dbraw/zinc/27/11/56/601271156.db2.gz AUCACSHATQZKLR-CHWSQXEVSA-N -1 0 340.851 3.680 20 0 EHADRM CC(C)=C(C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000826641711 601283703 /nfs/dbraw/zinc/28/37/03/601283703.db2.gz GLIJBEPWEDWXJV-UHFFFAOYSA-N -1 0 331.290 3.621 20 0 EHADRM C[C@H](c1ccccc1)[C@](C)(O)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000827941797 601287345 /nfs/dbraw/zinc/28/73/45/601287345.db2.gz LXFUTZPUIILFLL-ZMZPIMSZSA-N -1 0 347.798 3.531 20 0 EHADRM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)Nc1ccccc1C(=O)[O-] ZINC000828150946 601294032 /nfs/dbraw/zinc/29/40/32/601294032.db2.gz SFZHRTWFUHBZRJ-GOEBONIOSA-N -1 0 338.407 3.870 20 0 EHADRM Cc1cccc(CCC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000237607637 601294576 /nfs/dbraw/zinc/29/45/76/601294576.db2.gz NEPLXSYNSGAQCL-KXBFYZLASA-N -1 0 325.408 3.506 20 0 EHADRM Cc1ccc(CCC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000237657555 601294953 /nfs/dbraw/zinc/29/49/53/601294953.db2.gz PCBAFEAVKTUYCR-DNVCBOLYSA-N -1 0 325.408 3.506 20 0 EHADRM Cc1c2ccccc2oc1C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000237635596 601295263 /nfs/dbraw/zinc/29/52/63/601295263.db2.gz GIDVBYBZBNJZDD-GUYCJALGSA-N -1 0 337.375 3.933 20 0 EHADRM Cc1c(F)cccc1NC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000832854959 601315879 /nfs/dbraw/zinc/31/58/79/601315879.db2.gz ZGVSIVXEIMFRMG-HNNXBMFYSA-N -1 0 334.322 3.611 20 0 EHADRM CCC(C)(C)OCc1cccc(NC(=O)C(C)(C)NC(=O)[O-])c1C ZINC000828612468 601331505 /nfs/dbraw/zinc/33/15/05/601331505.db2.gz WVJNBVOXILOBAG-UHFFFAOYSA-N -1 0 336.432 3.685 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000828149937 601335628 /nfs/dbraw/zinc/33/56/28/601335628.db2.gz OGNDMCGVZFFMKZ-KSSFIOAISA-N -1 0 338.407 3.724 20 0 EHADRM Cc1ccc(NC(=S)NCCSc2ccccc2)cc1C(=O)[O-] ZINC000832948805 601339165 /nfs/dbraw/zinc/33/91/65/601339165.db2.gz FSYYTYIDLZLPAX-UHFFFAOYSA-N -1 0 346.477 3.772 20 0 EHADRM O=C([O-])c1cccc(OCc2noc(-c3ccc4ccccc4n3)n2)c1 ZINC000833331637 601368200 /nfs/dbraw/zinc/36/82/00/601368200.db2.gz BFPNMVDIVVQFGO-UHFFFAOYSA-N -1 0 347.330 3.562 20 0 EHADRM Cc1ccc(NC(=O)COc2ccccc2NC(=O)[O-])c(Cl)c1 ZINC000832943729 601369095 /nfs/dbraw/zinc/36/90/95/601369095.db2.gz FZNZWVUYBVDHPL-UHFFFAOYSA-N -1 0 334.759 3.756 20 0 EHADRM O=C([O-])Nc1ccccc1OCc1nnc(-c2cccc(F)c2)o1 ZINC000833288437 601369393 /nfs/dbraw/zinc/36/93/93/601369393.db2.gz UOKDOHINPSLPQM-UHFFFAOYSA-N -1 0 329.287 3.545 20 0 EHADRM O=C([O-])Nc1ccc(O[C@H]2CCN(c3cccc(Cl)c3)C2=O)cc1 ZINC000833289084 601389761 /nfs/dbraw/zinc/38/97/61/601389761.db2.gz FPXQPWCNCBMMHO-HNNXBMFYSA-N -1 0 346.770 3.614 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1ccc(C(C)(C)C(=O)OC)cc1 ZINC000830379318 601392139 /nfs/dbraw/zinc/39/21/39/601392139.db2.gz RFLJAEJICKNXML-UHFFFAOYSA-N -1 0 345.395 3.603 20 0 EHADRM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1cccs1)c1ccc(Cl)s1 ZINC000683298509 601392439 /nfs/dbraw/zinc/39/24/39/601392439.db2.gz DXWVRMDVSMFCPY-BDAKNGLRSA-N -1 0 343.857 3.899 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)CCc1cccc(Cl)c1)c1ccccc1 ZINC000237607672 601393612 /nfs/dbraw/zinc/39/36/12/601393612.db2.gz YJWRUHCSROJGEC-UGSOOPFHSA-N -1 0 345.826 3.851 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000237238024 601400884 /nfs/dbraw/zinc/40/08/84/601400884.db2.gz JGMREZINFQWIBV-CQSZACIVSA-N -1 0 341.407 3.845 20 0 EHADRM C[C@H](C(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1)C1CC1 ZINC000826070577 601404255 /nfs/dbraw/zinc/40/42/55/601404255.db2.gz BLCWBHALQRWRPC-JTQLQIEISA-N -1 0 331.393 3.598 20 0 EHADRM Cc1nc(CCCC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cs1 ZINC000191012567 601407205 /nfs/dbraw/zinc/40/72/05/601407205.db2.gz ITJSBDUWQHMFLD-UHFFFAOYSA-N -1 0 338.816 3.765 20 0 EHADRM Cc1cc(CSc2nnc(Cc3cccc(F)c3)o2)oc1C(=O)[O-] ZINC000832885636 601407939 /nfs/dbraw/zinc/40/79/39/601407939.db2.gz GDJQVUKCFKPFBV-UHFFFAOYSA-N -1 0 348.355 3.691 20 0 EHADRM Cc1cc(C(=O)CSc2nc3ccc(C(=O)[O-])cc3o2)ccc1F ZINC000832859232 601408438 /nfs/dbraw/zinc/40/84/38/601408438.db2.gz JEOQGSXUQVSXQS-UHFFFAOYSA-N -1 0 345.351 3.949 20 0 EHADRM Cc1cccc(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000832971338 601408662 /nfs/dbraw/zinc/40/86/62/601408662.db2.gz WSDFQSHVVVKTQE-HNNXBMFYSA-N -1 0 332.787 3.986 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)NCC1(C(=O)[O-])CCCC1 ZINC000832854383 601412710 /nfs/dbraw/zinc/41/27/10/601412710.db2.gz WVZQKSHRPIOQOM-ZDUSSCGKSA-N -1 0 344.411 3.746 20 0 EHADRM C/C(=C\COC(=O)C[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000825759184 601428260 /nfs/dbraw/zinc/42/82/60/601428260.db2.gz XVWOOOCUEJFKCQ-PFEDMVJOSA-N -1 0 330.302 3.773 20 0 EHADRM C/C(=C\C(=O)NC1(CC(=O)[O-])CCC1)c1cccc(C(F)(F)F)c1 ZINC000767060089 601432318 /nfs/dbraw/zinc/43/23/18/601432318.db2.gz UNHWNGJULYUBPQ-DHZHZOJOSA-N -1 0 341.329 3.622 20 0 EHADRM O=C([O-])CC1(NC(=O)c2ccc(-c3ccc(F)cc3)s2)CCC1 ZINC000262405194 601436871 /nfs/dbraw/zinc/43/68/71/601436871.db2.gz APPALDCCONQSKM-UHFFFAOYSA-N -1 0 333.384 3.681 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)/C(C)=C\c1ccc(F)cc1 ZINC000832524503 601447201 /nfs/dbraw/zinc/44/72/01/601447201.db2.gz ZHHAOWLOYODZSN-KHPPLWFESA-N -1 0 330.311 3.541 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1sc(-c2cccs2)nc1C ZINC000237137427 601461200 /nfs/dbraw/zinc/46/12/00/601461200.db2.gz ZZQJEYHEIXBNHT-OAHLLOKOSA-N -1 0 338.454 3.553 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000236987859 601467582 /nfs/dbraw/zinc/46/75/82/601467582.db2.gz AKKOCSBSZAFQDN-NRFANRHFSA-N -1 0 339.435 3.968 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000237110562 601469988 /nfs/dbraw/zinc/46/99/88/601469988.db2.gz BZWAAHUQXOEGIM-GLKRBJQHSA-N -1 0 344.238 3.857 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000832220712 601474363 /nfs/dbraw/zinc/47/43/63/601474363.db2.gz DIXFESFUIKQFGB-KPZWWZAWSA-N -1 0 346.354 3.697 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)OCc2ccc(F)cc2C(=O)[O-])c1 ZINC000832532527 601483977 /nfs/dbraw/zinc/48/39/77/601483977.db2.gz BNLMLEZPHVUUGJ-LBPRGKRZSA-N -1 0 346.354 3.770 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)OCc2ccc(C(=O)[O-])cc2)c1 ZINC000832528805 601485116 /nfs/dbraw/zinc/48/51/16/601485116.db2.gz QXVJOKKBZYNIQI-ZDUSSCGKSA-N -1 0 328.364 3.630 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)Nc2ccc(CCC(F)(F)F)cc2)C1 ZINC000263064958 601486584 /nfs/dbraw/zinc/48/65/84/601486584.db2.gz PCJWQURFJKZOPO-GFCCVEGCSA-N -1 0 344.333 3.510 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000362671051 601496334 /nfs/dbraw/zinc/49/63/34/601496334.db2.gz KIYAJKLPSMLYJZ-LJQANCHMSA-N -1 0 346.386 3.506 20 0 EHADRM CCc1ccc(CC)c(NC(=O)c2cccc(OCC(=O)[O-])c2)c1 ZINC000539569714 601496812 /nfs/dbraw/zinc/49/68/12/601496812.db2.gz SSQBQBUESHLYKO-UHFFFAOYSA-N -1 0 327.380 3.527 20 0 EHADRM C[C@H]1CC/C(=C/C(=O)NCc2c3ccccc3sc2C(=O)[O-])C1 ZINC000828201495 601500767 /nfs/dbraw/zinc/50/07/67/601500767.db2.gz SQDQVIGGRVUYJO-AWPPVZKDSA-N -1 0 329.421 3.962 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N(CC(F)F)c2cccc(Cl)c2)C1 ZINC000833181807 601506909 /nfs/dbraw/zinc/50/69/09/601506909.db2.gz LGYYUAMTLYOKQW-MNOVXSKESA-N -1 0 345.773 3.829 20 0 EHADRM Cc1cc(C(=O)Nc2ccc3c(c2)CCC3)cc(C)c1OCC(=O)[O-] ZINC000237886348 601527341 /nfs/dbraw/zinc/52/73/41/601527341.db2.gz YCQOBVOTTBPYES-UHFFFAOYSA-N -1 0 339.391 3.508 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000832914633 601527788 /nfs/dbraw/zinc/52/77/88/601527788.db2.gz COCWJTXTMABLDC-JTQLQIEISA-N -1 0 334.322 3.854 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc3ccc(Cl)cc3n2)ccc1F ZINC000761665048 601531025 /nfs/dbraw/zinc/53/10/25/601531025.db2.gz SLVBFBVJVBEVJJ-UHFFFAOYSA-N -1 0 344.729 3.978 20 0 EHADRM C[C@H](CC(=O)N[C@H](CC(=O)[O-])C1CC1)c1ccccc1C(F)(F)F ZINC000767078873 601531697 /nfs/dbraw/zinc/53/16/97/601531697.db2.gz XCUIHGOCERQIEC-QMTHXVAHSA-N -1 0 343.345 3.569 20 0 EHADRM CCN(C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1)c1cccc(C)c1 ZINC000262084770 601531826 /nfs/dbraw/zinc/53/18/26/601531826.db2.gz BWMMRALTDLOCAO-UHFFFAOYSA-N -1 0 341.407 3.742 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)N[C@@H](CC(=O)[O-])C2CC2)cc1 ZINC000832905945 601535797 /nfs/dbraw/zinc/53/57/97/601535797.db2.gz LIYITTGUZWFWMM-HNNXBMFYSA-N -1 0 329.421 3.707 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000833332445 601545759 /nfs/dbraw/zinc/54/57/59/601545759.db2.gz AKMJFYXXDWAIMY-CYBMUJFWSA-N -1 0 328.343 3.545 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)C2(Cc3ccccc3)CC2)ccc1F ZINC000833283244 601548989 /nfs/dbraw/zinc/54/89/89/601548989.db2.gz FYXSDYWSJHCCRQ-UHFFFAOYSA-N -1 0 328.343 3.877 20 0 EHADRM O=C([O-])CCCNC(=O)N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000263457393 601555475 /nfs/dbraw/zinc/55/54/75/601555475.db2.gz HSAHZKASZKFFKH-UJGDBWEASA-N -1 0 330.428 3.519 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000776650786 601582330 /nfs/dbraw/zinc/58/23/30/601582330.db2.gz QSCULMQMNHJRNV-SNGWPZLWSA-N -1 0 347.773 3.825 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc2ncsc2c1)c1ccc(Cl)cc1 ZINC000833126095 601584410 /nfs/dbraw/zinc/58/44/10/601584410.db2.gz RPHTWLKXLZIDCQ-CQSZACIVSA-N -1 0 346.795 3.505 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Nc1nc(C2CC2)cs1)c1ccccc1 ZINC000826038308 601603438 /nfs/dbraw/zinc/60/34/38/601603438.db2.gz FSJGENGJRVUBLO-YGRLFVJLSA-N -1 0 345.424 3.604 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)Nc1ccc(Cl)cc1)c1ccccc1 ZINC000826039839 601603667 /nfs/dbraw/zinc/60/36/67/601603667.db2.gz ZVSNRLAPJPUWHP-NHYWBVRUSA-N -1 0 332.787 3.924 20 0 EHADRM O=C([O-])[C@H](OC(=O)CCCc1ccc(F)c(F)c1)c1ccccc1 ZINC000833098343 601609601 /nfs/dbraw/zinc/60/96/01/601609601.db2.gz PIOMYAURJYNOIV-QGZVFWFLSA-N -1 0 334.318 3.657 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1cc2c(s1)CCCCC2 ZINC000238095401 601614294 /nfs/dbraw/zinc/61/42/94/601614294.db2.gz XRVJAQXGQNPWNY-UHFFFAOYSA-N -1 0 329.421 3.896 20 0 EHADRM COc1ccc(C)cc1NC(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832266337 601615306 /nfs/dbraw/zinc/61/53/06/601615306.db2.gz YXFMRTPDHICOPB-GUYCJALGSA-N -1 0 342.395 3.587 20 0 EHADRM Cc1cc(F)ccc1NC(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832889738 601615819 /nfs/dbraw/zinc/61/58/19/601615819.db2.gz PPKPDNILQBBQPO-MLGOLLRUSA-N -1 0 330.359 3.718 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1ccc(N2CCCCC2)cc1 ZINC000262786371 601616732 /nfs/dbraw/zinc/61/67/32/601616732.db2.gz ZZVJYYHROHDFFP-UHFFFAOYSA-N -1 0 338.407 3.556 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1cc(C2CC2)nc2ccccc21 ZINC000238094297 601616827 /nfs/dbraw/zinc/61/68/27/601616827.db2.gz BBFBMDAGLFVJHL-UHFFFAOYSA-N -1 0 346.386 3.992 20 0 EHADRM CCCCO[C@H]1C[C@@H](N(C)C(=O)c2cccc(NC(=O)[O-])c2)C1(C)C ZINC000829413727 601618408 /nfs/dbraw/zinc/61/84/08/601618408.db2.gz WLIYGAYLCNEILX-CVEARBPZSA-N -1 0 348.443 3.832 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1c(F)cccc1Cl ZINC000827622145 601622546 /nfs/dbraw/zinc/62/25/46/601622546.db2.gz HJRSNXRLCZIGCN-AXFHLTTASA-N -1 0 327.783 3.547 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000325262335 601627032 /nfs/dbraw/zinc/62/70/32/601627032.db2.gz JVZDHOWDTAQRJY-XJKSGUPXSA-N -1 0 330.428 3.845 20 0 EHADRM C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000828510110 601635123 /nfs/dbraw/zinc/63/51/23/601635123.db2.gz WRSGMBHXGWLUHF-BIENJYKASA-N -1 0 343.398 3.874 20 0 EHADRM Cc1nc(C(=O)[O-])cn1CCCCOc1cccc(C(F)(F)F)c1 ZINC000832995357 601638365 /nfs/dbraw/zinc/63/83/65/601638365.db2.gz DOFZZXUOPPTQGH-UHFFFAOYSA-N -1 0 342.317 3.768 20 0 EHADRM CCCCC[C@@H](NC(=O)c1cc(SC)ccc1Cl)C(=O)[O-] ZINC000236836921 601644583 /nfs/dbraw/zinc/64/45/83/601644583.db2.gz WVQGWJOBHZSOFO-CYBMUJFWSA-N -1 0 329.849 3.825 20 0 EHADRM O=C([O-])c1cccc(OC(=O)c2cnc(Cc3ccccc3)s2)c1 ZINC000833331418 601646724 /nfs/dbraw/zinc/64/67/24/601646724.db2.gz IBLDFMMPTHHCQD-UHFFFAOYSA-N -1 0 339.372 3.651 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)c2cc(F)cc(C(F)(F)F)c2)cc1 ZINC000833267183 601647806 /nfs/dbraw/zinc/64/78/06/601647806.db2.gz NYPJNMDWTDQPLL-UHFFFAOYSA-N -1 0 342.244 3.691 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NCc1nc2cc(F)ccc2o1)c1ccccc1 ZINC000826051608 601651076 /nfs/dbraw/zinc/65/10/76/601651076.db2.gz CUQGXQYFFNYTNV-PIGZYNQJSA-N -1 0 328.343 3.519 20 0 EHADRM CC[C@H](C)c1ccc(C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)cc1 ZINC000828764966 601651480 /nfs/dbraw/zinc/65/14/80/601651480.db2.gz ROSYMFZSBVUGBW-UGSOOPFHSA-N -1 0 339.391 3.693 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NCc1ncc(-c2cccs2)o1)c1ccccc1 ZINC000826055414 601654302 /nfs/dbraw/zinc/65/43/02/601654302.db2.gz ZXXRNSUUETVEAM-YVEFUNNKSA-N -1 0 342.420 3.955 20 0 EHADRM C[C@H](CSc1ccc(F)cc1)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000827581930 601654847 /nfs/dbraw/zinc/65/48/47/601654847.db2.gz UGOMQZNHNMRLJC-SECBINFHSA-N -1 0 339.413 3.952 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CN(c1ccccc1)C(C)C ZINC000832916919 601660386 /nfs/dbraw/zinc/66/03/86/601660386.db2.gz SQCICBRCPCXPCC-UHFFFAOYSA-N -1 0 326.396 3.547 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)C1 ZINC000369707971 601663697 /nfs/dbraw/zinc/66/36/97/601663697.db2.gz YFJHWDLFCUSMTO-HZPDHXFCSA-N -1 0 347.842 3.847 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C)CSc2ccc(F)cc2)c(C(=O)[O-])[nH]1 ZINC000832893641 601676278 /nfs/dbraw/zinc/67/62/78/601676278.db2.gz VRPCGCVENBEFNU-VIFPVBQESA-N -1 0 336.388 3.527 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)CCCc2ccc(F)c(F)c2)c2ccccc21 ZINC000192956117 601676517 /nfs/dbraw/zinc/67/65/17/601676517.db2.gz WZACLBDIQAOLFX-CQSZACIVSA-N -1 0 345.345 3.503 20 0 EHADRM CC[C@H](NC(=O)c1sc2cccc(Cl)c2c1Cl)C(=O)[O-] ZINC000828982316 601677673 /nfs/dbraw/zinc/67/76/73/601677673.db2.gz BOHJZHJRIVKDKP-ZETCQYMHSA-N -1 0 332.208 3.801 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N1CCC(=Cc2ccccc2F)CC1 ZINC000826793603 601690126 /nfs/dbraw/zinc/69/01/26/601690126.db2.gz QBDUYFMPIHVWBR-KRWDZBQOSA-N -1 0 348.418 3.514 20 0 EHADRM Cc1c(NC(=O)N[C@H](C)c2ccc(F)cc2F)cccc1C(=O)[O-] ZINC000832855992 601694236 /nfs/dbraw/zinc/69/42/36/601694236.db2.gz LBDHDFNAOTULJB-SNVBAGLBSA-N -1 0 334.322 3.854 20 0 EHADRM Cc1ccc(SC2(C(=O)N3C[C@@H](C)[C@H](C(=O)[O-])C3)CCCC2)cc1 ZINC000263020774 601695987 /nfs/dbraw/zinc/69/59/87/601695987.db2.gz XZZZAZHLRZHVIW-GDBMZVCRSA-N -1 0 347.480 3.579 20 0 EHADRM CCCOc1cc(C)ccc1NC(=O)NCC1(C(=O)[O-])CCCC1 ZINC000829527941 601696493 /nfs/dbraw/zinc/69/64/93/601696493.db2.gz NKXPFNABVLEASX-UHFFFAOYSA-N -1 0 334.416 3.550 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccc(F)cc1F ZINC000736649305 601696987 /nfs/dbraw/zinc/69/69/87/601696987.db2.gz QZEHTDSMASCIAX-QMMMGPOBSA-N -1 0 338.285 3.685 20 0 EHADRM Cc1ccccc1SCC(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000832981371 601702739 /nfs/dbraw/zinc/70/27/39/601702739.db2.gz BUCYAJAZGAWARM-UHFFFAOYSA-N -1 0 334.368 3.668 20 0 EHADRM CC(C)(CNC(=O)CCCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000236647628 601712165 /nfs/dbraw/zinc/71/21/65/601712165.db2.gz ORPZTEIHVVQQRQ-UHFFFAOYSA-N -1 0 332.227 3.543 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1F ZINC000833313848 601714040 /nfs/dbraw/zinc/71/40/40/601714040.db2.gz DHNFUZAFAKFFHE-LSDHHAIUSA-N -1 0 332.302 3.510 20 0 EHADRM O=C([O-])c1ccc(COC(=O)/C=C/c2ccc(Cl)s2)cc1F ZINC000833094946 601714477 /nfs/dbraw/zinc/71/44/77/601714477.db2.gz MCGXYHSTZZAQJX-ZZXKWVIFSA-N -1 0 340.759 3.995 20 0 EHADRM O=C([O-])c1ccc(COC(=O)Cc2ccc3ccccc3c2)cc1F ZINC000833117296 601716589 /nfs/dbraw/zinc/71/65/89/601716589.db2.gz HJXQEBYIWFMMPN-UHFFFAOYSA-N -1 0 338.334 3.963 20 0 EHADRM CCC[C@@H]1C[C@@H]1NC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000829255496 601718853 /nfs/dbraw/zinc/71/88/53/601718853.db2.gz ITFSYCOELZEJSV-HIFRSBDPSA-N -1 0 336.457 3.705 20 0 EHADRM Cn1c(Cl)c(Cl)cc1C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000833038854 601722334 /nfs/dbraw/zinc/72/23/34/601722334.db2.gz RFQALQJQDCMXDO-UHFFFAOYSA-N -1 0 346.141 3.526 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1cc(-c2ccccc2)no1 ZINC000833032822 601723665 /nfs/dbraw/zinc/72/36/65/601723665.db2.gz KDTVSZMEFZCUFU-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM C[C@H]1CN(C(=O)CCc2ccc(C(=O)[O-])cc2)c2ccccc2S1 ZINC000828335389 601725073 /nfs/dbraw/zinc/72/50/73/601725073.db2.gz YOGZKLOWDPQKDB-ZDUSSCGKSA-N -1 0 341.432 3.845 20 0 EHADRM CC(C)Oc1ccccc1CC(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000827063199 601725777 /nfs/dbraw/zinc/72/57/77/601725777.db2.gz VJWGCPWJTKBJHZ-UHFFFAOYSA-N -1 0 346.354 3.597 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)CCc2ccc(C(=O)[O-])cc2)cc1F ZINC000237579175 601727935 /nfs/dbraw/zinc/72/79/35/601727935.db2.gz RMFFAWKBDLKGMT-CYBMUJFWSA-N -1 0 329.371 3.642 20 0 EHADRM C[C@@H](CC(=O)OCc1ccc(C(=O)[O-])c(F)c1)c1ccc(F)cc1 ZINC000827392337 601728390 /nfs/dbraw/zinc/72/83/90/601728390.db2.gz YAOYQTPYBUSLIR-NSHDSACASA-N -1 0 334.318 3.900 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1cc(Cl)nc(Cl)c1 ZINC000833033550 601729123 /nfs/dbraw/zinc/72/91/23/601729123.db2.gz XJQBRFUKJVVHGU-UHFFFAOYSA-N -1 0 346.191 3.814 20 0 EHADRM COc1cccc(/C(C)=C/C(=O)OCc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000832528815 601734075 /nfs/dbraw/zinc/73/40/75/601734075.db2.gz RLQFEPAOVYGBML-XYOKQWHBSA-N -1 0 344.338 3.679 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CC/C=C/c1ccccc1)c1ccccc1F ZINC000678985905 601739123 /nfs/dbraw/zinc/73/91/23/601739123.db2.gz CODCSKGIMBLOAM-MUFCHLESSA-N -1 0 327.355 3.561 20 0 EHADRM O=C([O-])CCCc1csc(NC(=O)c2cc(Cl)ccc2F)n1 ZINC000316160636 601744342 /nfs/dbraw/zinc/74/43/42/601744342.db2.gz ATQPYIMGYSHTRU-UHFFFAOYSA-N -1 0 342.779 3.595 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC000678988806 601744729 /nfs/dbraw/zinc/74/47/29/601744729.db2.gz YOFZRRWUJOMPHH-HNNXBMFYSA-N -1 0 345.301 3.575 20 0 EHADRM Cc1cccc(C2(C(=O)Nc3nc(CCCC(=O)[O-])cs3)CC2)c1 ZINC000832966275 601745124 /nfs/dbraw/zinc/74/51/24/601745124.db2.gz UGDKFAVUJKEHEQ-UHFFFAOYSA-N -1 0 344.436 3.529 20 0 EHADRM CCOc1cc(C)ccc1CNC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000830045259 601753223 /nfs/dbraw/zinc/75/32/23/601753223.db2.gz YJJBBLXIPJCZDR-UHFFFAOYSA-N -1 0 343.383 3.805 20 0 EHADRM CCCC[C@@H](NC(=O)Nc1ccc(CNC(=O)[O-])cc1)C1CCC1 ZINC000829296155 601756454 /nfs/dbraw/zinc/75/64/54/601756454.db2.gz PFXGMNGKIKXTCX-MRXNPFEDSA-N -1 0 333.432 3.935 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cccc(Oc3ccccc3)c2)C[C@@H]1C(=O)[O-] ZINC000327620465 601788558 /nfs/dbraw/zinc/78/85/58/601788558.db2.gz OEQQBCGEQPCJPZ-GUYCJALGSA-N -1 0 340.379 3.663 20 0 EHADRM CC[C@@H](NC(=S)N1CCC(CCC(=O)[O-])CC1)c1cccs1 ZINC000828983476 601793710 /nfs/dbraw/zinc/79/37/10/601793710.db2.gz VOJFFLWDVSDQJQ-CYBMUJFWSA-N -1 0 340.514 3.651 20 0 EHADRM C[C@H](C(=O)NC1(C(=O)[O-])CCCCC1)c1ccc2ccccc2c1 ZINC000772862186 601801048 /nfs/dbraw/zinc/80/10/48/601801048.db2.gz UDJQQHFDIWUSAC-AWEZNQCLSA-N -1 0 325.408 3.847 20 0 EHADRM C[C@H](C(=O)N1CCCC[C@@H]1CC(=O)[O-])c1ccc2ccccc2c1 ZINC000653320945 601801616 /nfs/dbraw/zinc/80/16/16/601801616.db2.gz ZKDFYRKJOUTNTN-KBXCAEBGSA-N -1 0 325.408 3.799 20 0 EHADRM C[C@H](CN(C(=O)[C@@H](C)c1ccc2ccccc2c1)C1CC1)C(=O)[O-] ZINC000827432465 601802714 /nfs/dbraw/zinc/80/27/14/601802714.db2.gz MXJUNOILDLALQI-KGLIPLIRSA-N -1 0 325.408 3.655 20 0 EHADRM COc1ccc(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])cc1F ZINC000832179178 601807337 /nfs/dbraw/zinc/80/73/37/601807337.db2.gz TXVLSRXYCPJCEX-UHFFFAOYSA-N -1 0 335.356 3.724 20 0 EHADRM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000828251553 601808092 /nfs/dbraw/zinc/80/80/92/601808092.db2.gz KWNSXOBVGQLMHQ-MFKMUULPSA-N -1 0 337.441 3.858 20 0 EHADRM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000828251551 601808139 /nfs/dbraw/zinc/80/81/39/601808139.db2.gz KWNSXOBVGQLMHQ-GWCFXTLKSA-N -1 0 337.441 3.858 20 0 EHADRM CC(=O)c1ccc(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC000825946728 601817427 /nfs/dbraw/zinc/81/74/27/601817427.db2.gz NRLXTPZCUWBUPS-UHFFFAOYSA-N -1 0 349.180 3.929 20 0 EHADRM Cc1cc(F)c(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1F ZINC000678979631 601847852 /nfs/dbraw/zinc/84/78/52/601847852.db2.gz ICOCZANFIPAZAK-UHFFFAOYSA-N -1 0 325.698 3.877 20 0 EHADRM Cc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)c(Cl)cc1F ZINC000237769363 601856365 /nfs/dbraw/zinc/85/63/65/601856365.db2.gz SMJLMIJJODARGN-OAHLLOKOSA-N -1 0 335.762 3.733 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)N[C@@H]2CCc3c2cccc3Cl)c1 ZINC000833146083 601858840 /nfs/dbraw/zinc/85/88/40/601858840.db2.gz OQLFZSSCBWURTF-MRXNPFEDSA-N -1 0 344.798 3.525 20 0 EHADRM CCOc1ccc(NC(=O)[C@@H](NC(=O)[O-])c2ccccc2)cc1Cl ZINC000739502793 601866407 /nfs/dbraw/zinc/86/64/07/601866407.db2.gz YSPCLXWCIIGMAR-HNNXBMFYSA-N -1 0 348.786 3.686 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC000827592907 601871565 /nfs/dbraw/zinc/87/15/65/601871565.db2.gz WJMBRZVJKJZQPB-CYBMUJFWSA-N -1 0 330.405 3.648 20 0 EHADRM CC[C@H](NC(=O)[O-])C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000739523239 601871936 /nfs/dbraw/zinc/87/19/36/601871936.db2.gz JPALJUNLWJOOHO-QWHCGFSZSA-N -1 0 345.226 3.703 20 0 EHADRM CC(C)N(CCC(=O)Nc1cccc(-c2nccs2)c1)C(=O)[O-] ZINC000738843497 601873835 /nfs/dbraw/zinc/87/38/35/601873835.db2.gz IXKQXWUFPKLXLK-UHFFFAOYSA-N -1 0 333.413 3.527 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)c2ccc(F)cc2Cl)cc1 ZINC000833264710 601877434 /nfs/dbraw/zinc/87/74/34/601877434.db2.gz VRNSERUXTYGEML-UHFFFAOYSA-N -1 0 340.759 3.875 20 0 EHADRM CC[C@@H](NC(=O)NCc1cccc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC000828951253 601881331 /nfs/dbraw/zinc/88/13/31/601881331.db2.gz HOJLMZPCALBWLG-MRXNPFEDSA-N -1 0 348.349 3.614 20 0 EHADRM O=C([O-])N1CCC(C(=O)Nc2cccc(-c3cccs3)c2)CC1 ZINC000740471340 601886535 /nfs/dbraw/zinc/88/65/35/601886535.db2.gz XHPBDUHZOJVHMM-UHFFFAOYSA-N -1 0 330.409 3.744 20 0 EHADRM CCc1cc(=O)oc2cc(OCc3ccsc3C(=O)[O-])ccc12 ZINC000830210062 601892101 /nfs/dbraw/zinc/89/21/01/601892101.db2.gz VKTCXWUGYLRVAX-UHFFFAOYSA-N -1 0 330.361 3.694 20 0 EHADRM CC1(C)CN(C(=O)[C@H](NC(=O)[O-])c2ccccc2)[C@@H]1c1ccccc1 ZINC000739063189 601897928 /nfs/dbraw/zinc/89/79/28/601897928.db2.gz HVQGNURRCWNLDO-IAGOWNOFSA-N -1 0 338.407 3.605 20 0 EHADRM CN(Cc1ccccc1F)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830856979 601899435 /nfs/dbraw/zinc/89/94/35/601899435.db2.gz QLHMYUUTCQSKAM-OAHLLOKOSA-N -1 0 327.277 3.501 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)C1(Cc2ccccc2)CC1 ZINC000833188393 601905634 /nfs/dbraw/zinc/90/56/34/601905634.db2.gz YUNLMFCSOADCIB-IAGOWNOFSA-N -1 0 329.440 3.549 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)C1(Cc2ccccc2)CC1 ZINC000833188392 601905914 /nfs/dbraw/zinc/90/59/14/601905914.db2.gz YUNLMFCSOADCIB-DLBZAZTESA-N -1 0 329.440 3.549 20 0 EHADRM Cc1cccc2c(CC(=O)N[C@@H]3CCCCCC[C@H]3C(=O)[O-])c[nH]c21 ZINC000262197242 601906439 /nfs/dbraw/zinc/90/64/39/601906439.db2.gz ZPCCQZRODPZOOG-IAGOWNOFSA-N -1 0 342.439 3.559 20 0 EHADRM CC(C)N(C(=O)CNc1ccc(C(C)(C)C(=O)[O-])cc1)C1CCCC1 ZINC000826925043 601909685 /nfs/dbraw/zinc/90/96/85/601909685.db2.gz YFFBCUAXPWBCFA-UHFFFAOYSA-N -1 0 346.471 3.640 20 0 EHADRM COc1ccc(C(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])c(Cl)c1 ZINC000832169892 601911607 /nfs/dbraw/zinc/91/16/07/601911607.db2.gz WGSXZPWWZJQBDB-UKRRQHHQSA-N -1 0 339.819 3.502 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)c1 ZINC000238064876 601925394 /nfs/dbraw/zinc/92/53/94/601925394.db2.gz OBUJZGTYXQOTOV-UXHICEINSA-N -1 0 345.398 3.958 20 0 EHADRM O=C([O-])[C@H](OC(=O)CCc1ccco1)c1cc(Cl)cc(Cl)c1 ZINC000833103552 601933285 /nfs/dbraw/zinc/93/32/85/601933285.db2.gz REDNTAUVEWULCW-CQSZACIVSA-N -1 0 343.162 3.888 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)N[C@H]2COc3c2cccc3Cl)c1 ZINC000833288833 601940725 /nfs/dbraw/zinc/94/07/25/601940725.db2.gz MWVOYGATRCUYBO-ZDUSSCGKSA-N -1 0 347.758 3.685 20 0 EHADRM O=C([O-])c1ccc(CN2CCO[C@@H](c3ccccc3Cl)C2)s1 ZINC000568061598 601949195 /nfs/dbraw/zinc/94/91/95/601949195.db2.gz LLJKKZXGRSJANT-CQSZACIVSA-N -1 0 337.828 3.673 20 0 EHADRM CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C12CCC2 ZINC000829917054 601983153 /nfs/dbraw/zinc/98/31/53/601983153.db2.gz ARMMDEFHZHJSAA-HZPDHXFCSA-N -1 0 346.427 3.505 20 0 EHADRM Cc1ccc2cccc(NC(=O)Cc3ccc(NC(=O)[O-])cc3)c2n1 ZINC000740157077 601990009 /nfs/dbraw/zinc/99/00/09/601990009.db2.gz OGLOSVXDIRSCPD-UHFFFAOYSA-N -1 0 335.363 3.814 20 0 EHADRM Cc1ccc(C)c(SCC(=O)Nc2ccc(NC(=O)[O-])nc2)c1 ZINC000740120299 601994663 /nfs/dbraw/zinc/99/46/63/601994663.db2.gz YCONBPVVQJRUOJ-UHFFFAOYSA-N -1 0 331.397 3.519 20 0 EHADRM C[C@@H]1CC[C@H](CC(=O)N(C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)C1 ZINC000828221161 601999867 /nfs/dbraw/zinc/99/98/67/601999867.db2.gz IQNWYNCTEPRUIR-LSYCYVAJSA-N -1 0 343.345 3.514 20 0 EHADRM O=C([O-])c1ccc(COC(=O)CCSc2ccc(F)cc2)s1 ZINC000833101559 602000088 /nfs/dbraw/zinc/00/00/88/602000088.db2.gz VXEXRBZPDDRIMP-UHFFFAOYSA-N -1 0 340.397 3.811 20 0 EHADRM C[C@@H](CC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC000237340067 602004396 /nfs/dbraw/zinc/00/43/96/602004396.db2.gz HKVAHENTOCVWRS-ZBEGNZNMSA-N -1 0 343.345 3.522 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2ccccc2OC2CCC2)s1 ZINC000833314967 602010285 /nfs/dbraw/zinc/01/02/85/602010285.db2.gz BXQUJBOGUFUSSW-UHFFFAOYSA-N -1 0 332.377 3.735 20 0 EHADRM CCN(CC1CC1)C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000829686825 602010700 /nfs/dbraw/zinc/01/07/00/602010700.db2.gz ACGKUTDJEQWCOX-UHFFFAOYSA-N -1 0 330.306 3.667 20 0 EHADRM COc1cccc2c1CC[C@H]2NC(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000832572642 602011574 /nfs/dbraw/zinc/01/15/74/602011574.db2.gz HFJQYHSFTLBQTQ-MRXNPFEDSA-N -1 0 340.379 3.511 20 0 EHADRM COc1ccc([C@H](C)CC(=O)OCc2ccc(C(=O)[O-])s2)cc1 ZINC000832220650 602012666 /nfs/dbraw/zinc/01/26/66/602012666.db2.gz AXMTZMSEGAXTRE-LLVKDONJSA-N -1 0 334.393 3.692 20 0 EHADRM COc1cccc(/C(C)=C/C(=O)OCc2ccc(C(=O)[O-])s2)c1 ZINC000832528711 602012854 /nfs/dbraw/zinc/01/28/54/602012854.db2.gz OWWXDNZKBUKVGA-DHZHZOJOSA-N -1 0 332.377 3.602 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N1CCCC[C@H]1[C@@H](C)NC(=O)[O-] ZINC000740035076 602018144 /nfs/dbraw/zinc/01/81/44/602018144.db2.gz FXZWJVGZTOALOO-RISCZKNCSA-N -1 0 348.374 3.531 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)Nc1ccc(F)c(F)c1F ZINC000833158223 602026046 /nfs/dbraw/zinc/02/60/46/602026046.db2.gz WBOZRQMTFXBDSQ-KOLCDFICSA-N -1 0 344.333 3.649 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)C1 ZINC000237658528 602031334 /nfs/dbraw/zinc/03/13/34/602031334.db2.gz NAQUDFFDRRTUON-LJQANCHMSA-N -1 0 345.345 3.569 20 0 EHADRM CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2cccc(NC(=O)[O-])c2)C1 ZINC000830148830 602033309 /nfs/dbraw/zinc/03/33/09/602033309.db2.gz AFGXUUOCMMDKEV-ZIAGYGMSSA-N -1 0 337.445 3.914 20 0 EHADRM CC[C@H](C)Oc1ccc(NC(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC000828764096 602034783 /nfs/dbraw/zinc/03/47/83/602034783.db2.gz DZISDHGUJGPVQT-ZDUSSCGKSA-N -1 0 342.395 3.884 20 0 EHADRM CC(C)Oc1ccc(F)cc1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000827055188 602036660 /nfs/dbraw/zinc/03/66/60/602036660.db2.gz ZGUYMEGWWOXNCY-UHFFFAOYSA-N -1 0 346.358 3.633 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2[nH]c3ccc(F)cc3c2Cl)cn1 ZINC000740711336 602036996 /nfs/dbraw/zinc/03/69/96/602036996.db2.gz ZRLOORSSCZTWIC-UHFFFAOYSA-N -1 0 348.721 3.698 20 0 EHADRM CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000830149143 602039072 /nfs/dbraw/zinc/03/90/72/602039072.db2.gz DRZYDQYGGHJUKG-VXGBXAGGSA-N -1 0 340.420 3.662 20 0 EHADRM C[C@@H]1CC[C@H](C)N1C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000828214549 602043452 /nfs/dbraw/zinc/04/34/52/602043452.db2.gz PROZBYXUASEBOC-DTORHVGOSA-N -1 0 330.306 3.808 20 0 EHADRM Cc1ncsc1NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000833010355 602045850 /nfs/dbraw/zinc/04/58/50/602045850.db2.gz MLLQQOHWOLRRPN-UHFFFAOYSA-N -1 0 345.302 3.813 20 0 EHADRM CC(C)c1ccc([C@H](C)NC(=O)N2CCC[C@H](CNC(=O)[O-])C2)cc1 ZINC000738875377 602060251 /nfs/dbraw/zinc/06/02/51/602060251.db2.gz FWTWVKGIBRFDTN-LSDHHAIUSA-N -1 0 347.459 3.560 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2cccc(CC(=O)[O-])c2)cc1C ZINC000345858701 602067216 /nfs/dbraw/zinc/06/72/16/602067216.db2.gz GHRRKKUSJVZWIW-UHFFFAOYSA-N -1 0 339.391 3.532 20 0 EHADRM C[C@H](CSc1ccc(F)cc1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000345863113 602070361 /nfs/dbraw/zinc/07/03/61/602070361.db2.gz JDLVNOPLXIIJIZ-GFCCVEGCSA-N -1 0 347.411 3.820 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)OC/C(Cl)=C\Cl)C(=O)[O-] ZINC000827922763 602084593 /nfs/dbraw/zinc/08/45/93/602084593.db2.gz YDAUWIVKZTUBCF-GTUWVTDSSA-N -1 0 335.208 3.728 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000827271126 602088006 /nfs/dbraw/zinc/08/80/06/602088006.db2.gz GSUARPCLSNZUEO-SJCJKPOMSA-N -1 0 331.799 3.656 20 0 EHADRM C[C@@H](Oc1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)cc1)C(=O)[O-] ZINC000794686496 602094122 /nfs/dbraw/zinc/09/41/22/602094122.db2.gz BXQKFHZJZYMNDF-XBLUXWHVSA-N -1 0 343.766 3.685 20 0 EHADRM CC(C)c1csc(CNC(=O)Nc2cccc(NC(=O)[O-])c2)n1 ZINC000827144133 602094517 /nfs/dbraw/zinc/09/45/17/602094517.db2.gz FUONZOIVSOGVHR-UHFFFAOYSA-N -1 0 334.401 3.678 20 0 EHADRM CSc1cc(C(=O)N2CCC(C(=O)[O-])CC2)c(Cl)cc1Cl ZINC000237295544 602098391 /nfs/dbraw/zinc/09/83/91/602098391.db2.gz KMJKDJKQTLWVQW-UHFFFAOYSA-N -1 0 348.251 3.652 20 0 EHADRM CCOCCC1(C(=O)OCc2ccc(F)cc2C(=O)[O-])CCCC1 ZINC000829994838 602101512 /nfs/dbraw/zinc/10/15/12/602101512.db2.gz WDTJUSJVAMDNQM-UHFFFAOYSA-N -1 0 338.375 3.554 20 0 EHADRM Cc1csc(Sc2ccc(NC(=O)[C@@H](C)CC(=O)[O-])cc2)n1 ZINC000832989184 602106013 /nfs/dbraw/zinc/10/60/13/602106013.db2.gz CQKRKDUSVNUUHU-VIFPVBQESA-N -1 0 336.438 3.652 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000237558172 602107776 /nfs/dbraw/zinc/10/77/76/602107776.db2.gz SSIGWEWCTGLWNX-JSGCOSHPSA-N -1 0 339.457 3.508 20 0 EHADRM Cc1oc(CN(C)C(=O)Nc2cc(F)cc(Cl)c2)cc1C(=O)[O-] ZINC000833025277 602108612 /nfs/dbraw/zinc/10/86/12/602108612.db2.gz DVFVDSKCLNGJHF-UHFFFAOYSA-N -1 0 340.738 3.743 20 0 EHADRM Cc1noc(C)c1CNc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000833021585 602114283 /nfs/dbraw/zinc/11/42/83/602114283.db2.gz OJHCLWNSNMRMAO-UHFFFAOYSA-N -1 0 326.352 3.520 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CC3(CCC3)c3c2cccc3F)cc1 ZINC000738661142 602114815 /nfs/dbraw/zinc/11/48/15/602114815.db2.gz JKQDAPIRQFPPRJ-UHFFFAOYSA-N -1 0 340.354 3.998 20 0 EHADRM CSc1cc(C(=O)N(C)CCCC(=O)[O-])c(Cl)cc1Cl ZINC000237425708 602117011 /nfs/dbraw/zinc/11/70/11/602117011.db2.gz SXAQJMMZGJZGTP-UHFFFAOYSA-N -1 0 336.240 3.652 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@@H](C)OC1CCCCCC1 ZINC000262060854 602121396 /nfs/dbraw/zinc/12/13/96/602121396.db2.gz HBCAGEFACYDMEU-CQSZACIVSA-N -1 0 349.427 3.525 20 0 EHADRM Cc1ccccc1-c1nc(CNc2cc(F)c(F)cc2C(=O)[O-])no1 ZINC000832974643 602128713 /nfs/dbraw/zinc/12/87/13/602128713.db2.gz LOHOUIBNZXANGT-UHFFFAOYSA-N -1 0 345.305 3.634 20 0 EHADRM CC1(C)C[C@H](NC(=O)Nc2cccc(C(=O)[O-])c2)c2ccccc2O1 ZINC000828055341 602135424 /nfs/dbraw/zinc/13/54/24/602135424.db2.gz BVPHSEZMIXLJHL-HNNXBMFYSA-N -1 0 340.379 3.809 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=S)NCc1cccs1)c1ccccc1 ZINC000826105832 602152222 /nfs/dbraw/zinc/15/22/22/602152222.db2.gz KQTZVKXFCOISEW-CQSZACIVSA-N -1 0 348.493 3.564 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1ccc2sccc2c1 ZINC000346023460 602156544 /nfs/dbraw/zinc/15/65/44/602156544.db2.gz GZUYWGZYOGWLDP-KRWDZBQOSA-N -1 0 337.400 3.726 20 0 EHADRM Cc1cccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)c1F ZINC000832963744 602157046 /nfs/dbraw/zinc/15/70/46/602157046.db2.gz LQGVGXLMQOAHDB-CQSZACIVSA-N -1 0 335.762 3.733 20 0 EHADRM CCS[C@H](C)c1noc(CNc2ccc(Cl)c(C(=O)[O-])c2)n1 ZINC000830151351 602161864 /nfs/dbraw/zinc/16/18/64/602161864.db2.gz YPDWPVJTSPLICQ-MRVPVSSYSA-N -1 0 341.820 3.847 20 0 EHADRM CSc1cc(C(=O)N2C[C@H](C)[C@H](C(=O)[O-])C2)c(Cl)cc1Cl ZINC000832770808 602169556 /nfs/dbraw/zinc/16/95/56/602169556.db2.gz HVETYRNTBPZZAD-IONNQARKSA-N -1 0 348.251 3.508 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)c1ccc(OCC2CC2)cc1 ZINC000740715605 602173284 /nfs/dbraw/zinc/17/32/84/602173284.db2.gz KZTXLHGSIQSLMP-UHFFFAOYSA-N -1 0 326.352 3.818 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000832958514 602174043 /nfs/dbraw/zinc/17/40/43/602174043.db2.gz JARRXGWQRNZKER-QGZVFWFLSA-N -1 0 336.391 3.731 20 0 EHADRM CCCN(CC)c1ccc(C(=O)Nc2ccccc2NC(=O)[O-])cn1 ZINC000739358508 602174128 /nfs/dbraw/zinc/17/41/28/602174128.db2.gz PETZFHWMJFTBQB-UHFFFAOYSA-N -1 0 342.399 3.660 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)[C@H]1COc2ccc(Cl)cc2C1 ZINC000740714648 602177980 /nfs/dbraw/zinc/17/79/80/602177980.db2.gz WIHYSCGPEARZSK-LLVKDONJSA-N -1 0 346.770 3.620 20 0 EHADRM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1NC(=O)[O-] ZINC000739053450 602179428 /nfs/dbraw/zinc/17/94/28/602179428.db2.gz HRTYGWGJVMPUEB-JTQLQIEISA-N -1 0 334.759 3.836 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)c2ccc(-c3ccco3)s2)cc1 ZINC000833313377 602180204 /nfs/dbraw/zinc/18/02/04/602180204.db2.gz UAWUYJQJMGMVHG-UHFFFAOYSA-N -1 0 341.388 3.679 20 0 EHADRM O=C([O-])c1csc(NC(=O)COc2c(Cl)cccc2Cl)c1 ZINC000833113982 602182442 /nfs/dbraw/zinc/18/24/42/602182442.db2.gz BDGZVJMNMOASFU-UHFFFAOYSA-N -1 0 346.191 3.771 20 0 EHADRM O=C([O-])c1csc(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)c1 ZINC000565987740 602182793 /nfs/dbraw/zinc/18/27/93/602182793.db2.gz KWUVQCULYWBUAI-RDTXWAMCSA-N -1 0 327.405 3.679 20 0 EHADRM Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC000191353457 602184818 /nfs/dbraw/zinc/18/48/18/602184818.db2.gz HNVJJJKAERZLFB-VIFPVBQESA-N -1 0 339.800 3.814 20 0 EHADRM Cc1ccc(-c2cc(C(=O)Nc3cc(C(=O)[O-])cs3)on2)cc1 ZINC000191340369 602187750 /nfs/dbraw/zinc/18/77/50/602187750.db2.gz BVXHZHYDGATOMF-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000191376170 602189560 /nfs/dbraw/zinc/18/95/60/602189560.db2.gz WWGGHCIOKYROHJ-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)O[C@H](c1ccc(Br)cc1)C1CC1 ZINC000827334789 602192948 /nfs/dbraw/zinc/19/29/48/602192948.db2.gz WGERXVQEXNLLPV-XPTSAGLGSA-N -1 0 341.201 3.554 20 0 EHADRM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739057747 602200968 /nfs/dbraw/zinc/20/09/68/602200968.db2.gz VRPKHTBUMGRFQU-NSHDSACASA-N -1 0 348.786 3.514 20 0 EHADRM Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)[C@@H](C)NC(=O)[O-] ZINC000740089054 602254114 /nfs/dbraw/zinc/25/41/14/602254114.db2.gz LMMFOAZHJJVTAL-ZIAGYGMSSA-N -1 0 342.395 3.730 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)Cc2ccsc2)c2ccccc12 ZINC000237960480 602259394 /nfs/dbraw/zinc/25/93/94/602259394.db2.gz RQEILPTZLXWGKC-UHFFFAOYSA-N -1 0 341.388 3.546 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000827873763 602264769 /nfs/dbraw/zinc/26/47/69/602264769.db2.gz OGINSRPAGQEOCY-GFCCVEGCSA-N -1 0 338.375 3.695 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000829009821 602271391 /nfs/dbraw/zinc/27/13/91/602271391.db2.gz RWUUSFZPXWJVRI-INIZCTEOSA-N -1 0 338.375 3.695 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)[C@H](C)COc1ccccc1 ZINC000833032422 602271738 /nfs/dbraw/zinc/27/17/38/602271738.db2.gz ZPWIKPCFLZUOSA-LLVKDONJSA-N -1 0 334.393 3.513 20 0 EHADRM C[C@H](OC(=O)C1CCN(C(=O)[O-])CC1)c1ccc(C(F)(F)F)cc1 ZINC000737702332 602284033 /nfs/dbraw/zinc/28/40/33/602284033.db2.gz CKMSNANOSFIIIA-JTQLQIEISA-N -1 0 345.317 3.700 20 0 EHADRM O=C([O-])c1csc(NC(=O)N2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000833342313 602290441 /nfs/dbraw/zinc/29/04/41/602290441.db2.gz JGLJJXJBCCXLMS-ZDUSSCGKSA-N -1 0 330.409 3.543 20 0 EHADRM Cc1oc(-c2ccsc2)nc1CN1CCCC[C@@H]1[C@H](C)NC(=O)[O-] ZINC000740274749 602293306 /nfs/dbraw/zinc/29/33/06/602293306.db2.gz RZXVKYUZZATXHC-XHDPSFHLSA-N -1 0 349.456 3.722 20 0 EHADRM Cc1cc(Cl)ccc1NC(=O)CNc1ccc(C(=O)[O-])c(F)c1 ZINC000832886050 602303817 /nfs/dbraw/zinc/30/38/17/602303817.db2.gz DBOSVZRSXOZMJD-UHFFFAOYSA-N -1 0 336.750 3.536 20 0 EHADRM COc1cc(NC(=O)C2(c3ccccc3C)CC2)ccc1NC(=O)[O-] ZINC000739865023 602305672 /nfs/dbraw/zinc/30/56/72/602305672.db2.gz GVMUFUGJUKWOHT-UHFFFAOYSA-N -1 0 340.379 3.764 20 0 EHADRM CN(Cc1ccccc1NC(=O)c1cccc2c1ccn2C)C(=O)[O-] ZINC000739718953 602307893 /nfs/dbraw/zinc/30/78/93/602307893.db2.gz YSXDDTIHRCJMJI-UHFFFAOYSA-N -1 0 337.379 3.540 20 0 EHADRM CCC(CC)CC(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000190801415 602312201 /nfs/dbraw/zinc/31/22/01/602312201.db2.gz DWVCUCOMTVSGDW-UHFFFAOYSA-N -1 0 327.371 3.594 20 0 EHADRM CCCNc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)CC(=O)[O-] ZINC000829519754 602317692 /nfs/dbraw/zinc/31/76/92/602317692.db2.gz RBACEDKBXDOTNZ-SECBINFHSA-N -1 0 332.322 3.577 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)N2CCCc3cccc(Cl)c32)cc1 ZINC000740701752 602324391 /nfs/dbraw/zinc/32/43/91/602324391.db2.gz KBLZDVSXARGLPK-UHFFFAOYSA-N -1 0 344.798 3.952 20 0 EHADRM COc1ccc2oc(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)c(C)c2c1 ZINC000767207394 602356527 /nfs/dbraw/zinc/35/65/27/602356527.db2.gz PQEVNQLJJSJYFC-UHFFFAOYSA-N -1 0 343.310 3.839 20 0 EHADRM CC(C)COc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000325732353 602357082 /nfs/dbraw/zinc/35/70/82/602357082.db2.gz PNEBZPCUWVPQDM-UHFFFAOYSA-N -1 0 331.343 3.811 20 0 EHADRM CCC[C@H](NC(=O)[O-])C(=O)Nc1ccccc1Cc1ccccc1 ZINC000739326095 602359693 /nfs/dbraw/zinc/35/96/93/602359693.db2.gz MERHJMJTYASQSC-KRWDZBQOSA-N -1 0 326.396 3.652 20 0 EHADRM Cn1cc(NC(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC000833052075 602372088 /nfs/dbraw/zinc/37/20/88/602372088.db2.gz UYUMTBCWBFYYHM-HZPDHXFCSA-N -1 0 341.411 3.571 20 0 EHADRM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000828149460 602372765 /nfs/dbraw/zinc/37/27/65/602372765.db2.gz JTRVNALQYORXTE-DOMZBBRYSA-N -1 0 342.370 3.934 20 0 EHADRM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000828149462 602372942 /nfs/dbraw/zinc/37/29/42/602372942.db2.gz JTRVNALQYORXTE-SWLSCSKDSA-N -1 0 342.370 3.934 20 0 EHADRM Cn1cc(NC(=O)N2CCC(C3CCCCC3)CC2)cc1C(=O)[O-] ZINC000833047277 602373876 /nfs/dbraw/zinc/37/38/76/602373876.db2.gz KRELFQKPZRJJAL-UHFFFAOYSA-N -1 0 333.432 3.548 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1cc(F)ccc1F ZINC000827672594 602375643 /nfs/dbraw/zinc/37/56/43/602375643.db2.gz VEGLMWCEHPHHNK-MRVPVSSYSA-N -1 0 338.285 3.685 20 0 EHADRM Cc1ccc(C)c([C@@H](C)N(C)C(=O)C2CCC(NC(=O)[O-])CC2)c1 ZINC000740115198 602381628 /nfs/dbraw/zinc/38/16/28/602381628.db2.gz CBWHSYBNCMGYQO-QQFBHYJXSA-N -1 0 332.444 3.649 20 0 EHADRM CCC[C@@H](NC(=O)[O-])C(=O)N(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000739302124 602381776 /nfs/dbraw/zinc/38/17/76/602381776.db2.gz IBMHQLMSUVFGKL-GXFFZTMASA-N -1 0 346.349 3.661 20 0 EHADRM O=C([O-])CN(C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)C1CCCC1 ZINC000833241538 602400922 /nfs/dbraw/zinc/40/09/22/602400922.db2.gz GSRDENZYRSIQRX-RTBURBONSA-N -1 0 337.419 3.799 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc([C@@H]2Cc3ccccc3S2)n1 ZINC000738817019 602407760 /nfs/dbraw/zinc/40/77/60/602407760.db2.gz NXJZZKVAIFVFJX-AAEUAGOBSA-N -1 0 333.413 3.814 20 0 EHADRM COc1ccccc1/C(C)=C/c1nc([C@@H](CC(C)C)NC(=O)[O-])no1 ZINC000739954015 602407996 /nfs/dbraw/zinc/40/79/96/602407996.db2.gz FVPWSFPONOBZKQ-IEZBTEQYSA-N -1 0 345.399 3.994 20 0 EHADRM COc1ccccc1/C(C)=C/c1nc([C@H](CC(C)C)NC(=O)[O-])no1 ZINC000739954016 602408156 /nfs/dbraw/zinc/40/81/56/602408156.db2.gz FVPWSFPONOBZKQ-WONIAPNHSA-N -1 0 345.399 3.994 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(-c2cc(-c3cccs3)on2)n1 ZINC000738817735 602408393 /nfs/dbraw/zinc/40/83/93/602408393.db2.gz UEJCAWCSKWEUSQ-SECBINFHSA-N -1 0 348.384 3.808 20 0 EHADRM CCc1ccccc1OCc1nc([C@H](CC(C)C)NC(=O)[O-])no1 ZINC000739548256 602408725 /nfs/dbraw/zinc/40/87/25/602408725.db2.gz CYTAZUQXOYZQGP-ZDUSSCGKSA-N -1 0 333.388 3.566 20 0 EHADRM Cc1cc(-c2nc([C@@H](CC(C)C)NC(=O)[O-])no2)c2ccccc2n1 ZINC000740047038 602409160 /nfs/dbraw/zinc/40/91/60/602409160.db2.gz BHLZUKLIHCJQED-OAHLLOKOSA-N -1 0 340.383 3.948 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(-c2ccc(OC(F)F)cc2)n1 ZINC000738814632 602409451 /nfs/dbraw/zinc/40/94/51/602409451.db2.gz DHPZXJYZXDJULC-LLVKDONJSA-N -1 0 341.314 3.693 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(C(F)(F)c2ccccc2)n1 ZINC000738817973 602410418 /nfs/dbraw/zinc/41/04/18/602410418.db2.gz WHRZJQOITXBQBB-NSHDSACASA-N -1 0 325.315 3.565 20 0 EHADRM O=C([O-])NC1(c2noc(-c3ccc(F)cc3Cl)n2)CCCC1 ZINC000740548169 602413039 /nfs/dbraw/zinc/41/30/39/602413039.db2.gz OQNGMOUKOJQVQP-UHFFFAOYSA-N -1 0 325.727 3.566 20 0 EHADRM C[C@H]1CCCC[C@H]1NC(=S)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739099158 602430956 /nfs/dbraw/zinc/43/09/56/602430956.db2.gz LMBAGUNXAZDOCS-SWLSCSKDSA-N -1 0 347.484 3.982 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)NC2(c3ccccc3)CCC2)c1 ZINC000740677539 602452912 /nfs/dbraw/zinc/45/29/12/602452912.db2.gz NOBBNBHRJKDSGJ-UHFFFAOYSA-N -1 0 339.395 3.655 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)NCc1ccccc1Cl)c1ccccc1 ZINC000740539859 602453970 /nfs/dbraw/zinc/45/39/70/602453970.db2.gz QQYWZCBHOHCTMJ-INIZCTEOSA-N -1 0 346.814 3.745 20 0 EHADRM C[C@@H](c1ccccc1)N(C)C(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000739058751 602455814 /nfs/dbraw/zinc/45/58/14/602455814.db2.gz NACLVMVBYCJBLG-YJBOKZPZSA-N -1 0 340.423 3.995 20 0 EHADRM Cc1cc(CNC(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)ccc1F ZINC000740074666 602456022 /nfs/dbraw/zinc/45/60/22/602456022.db2.gz YEGUATSQSUAPRP-QGZVFWFLSA-N -1 0 344.386 3.539 20 0 EHADRM CC(C)c1cccc(C(C)C)c1NC(=S)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000738876710 602458730 /nfs/dbraw/zinc/45/87/30/602458730.db2.gz OGUJKTGXJQHYJZ-CYBMUJFWSA-N -1 0 349.500 3.972 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)CC[C@H](NC(=O)[O-])c2ccccc2)o1 ZINC000740111966 602459240 /nfs/dbraw/zinc/45/92/40/602459240.db2.gz BOFCCKDFOTYZKJ-HIFRSBDPSA-N -1 0 330.384 3.554 20 0 EHADRM CN(Cc1ccc(Cl)s1)C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739710089 602481540 /nfs/dbraw/zinc/48/15/40/602481540.db2.gz PJOGKQUVDRVFJW-UHFFFAOYSA-N -1 0 342.779 3.903 20 0 EHADRM Cc1cccc2c1N(C(=O)c1ccc(F)c(NC(=O)[O-])c1)CCC2 ZINC000740182133 602482539 /nfs/dbraw/zinc/48/25/39/602482539.db2.gz VZAIEGCDARASQN-UHFFFAOYSA-N -1 0 328.343 3.817 20 0 EHADRM CCN(C(=O)c1ccc(F)c(NC(=O)[O-])c1)c1ccc(OC)cc1 ZINC000739380577 602483943 /nfs/dbraw/zinc/48/39/43/602483943.db2.gz MMHVMRDOFCUNHE-UHFFFAOYSA-N -1 0 332.331 3.591 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)ccc1F ZINC000740696129 602486792 /nfs/dbraw/zinc/48/67/92/602486792.db2.gz NZGYTCYWGRLKRQ-CQSZACIVSA-N -1 0 348.761 3.986 20 0 EHADRM COc1cc(C(=O)Nc2ccc(NC(=O)[O-])cc2)ccc1OC(C)C ZINC000739854483 602499349 /nfs/dbraw/zinc/49/93/49/602499349.db2.gz ZCILPMVMEUHORT-UHFFFAOYSA-N -1 0 344.367 3.825 20 0 EHADRM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739051778 602499829 /nfs/dbraw/zinc/49/98/29/602499829.db2.gz BGVLNWJZALGHQH-SNVBAGLBSA-N -1 0 334.759 3.836 20 0 EHADRM COc1ccc2nc(C(=O)Nc3ccc(NC(=O)[O-])cc3)ccc2c1 ZINC000739941649 602501424 /nfs/dbraw/zinc/50/14/24/602501424.db2.gz LZHRMDXBBUYNQP-UHFFFAOYSA-N -1 0 337.335 3.586 20 0 EHADRM Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000740272165 602501493 /nfs/dbraw/zinc/50/14/93/602501493.db2.gz PCMUMBHBOSBFNQ-UHFFFAOYSA-N -1 0 337.335 3.992 20 0 EHADRM CCCc1c(C(=O)Nc2ccc(NC(=O)[O-])cc2)[nH]c(C)c1C(C)=O ZINC000739376418 602503402 /nfs/dbraw/zinc/50/34/02/602503402.db2.gz PMQLKGAIQHNELM-UHFFFAOYSA-N -1 0 343.383 3.820 20 0 EHADRM Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738336588 602504942 /nfs/dbraw/zinc/50/49/42/602504942.db2.gz NWBKXMBPQKTBDS-UHFFFAOYSA-N -1 0 337.335 3.992 20 0 EHADRM Cc1ccc(CC(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])s1 ZINC000740124181 602509449 /nfs/dbraw/zinc/50/94/49/602509449.db2.gz QTVSUJOSYWGQNC-UHFFFAOYSA-N -1 0 330.409 3.668 20 0 EHADRM CCC[C@H](NC(=O)[O-])C(=O)Nc1cccc(-c2ccccc2OC)c1 ZINC000739324076 602513197 /nfs/dbraw/zinc/51/31/97/602513197.db2.gz XQMPJVUWURZXTA-INIZCTEOSA-N -1 0 342.395 3.737 20 0 EHADRM O=C([O-])N1CCc2ccc(NC(=O)c3sccc3C3CC3)cc2C1 ZINC000740471037 602543701 /nfs/dbraw/zinc/54/37/01/602543701.db2.gz UXFGEBDUOBENOB-UHFFFAOYSA-N -1 0 342.420 3.914 20 0 EHADRM O=C([O-])N1CCCc2c(NC(=O)Nc3ccccc3F)cccc21 ZINC000739487608 602565498 /nfs/dbraw/zinc/56/54/98/602565498.db2.gz AUALTULPOPAEGV-UHFFFAOYSA-N -1 0 329.331 3.900 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)Nc1cccc2cnccc21)c1ccccc1 ZINC000740540363 602565954 /nfs/dbraw/zinc/56/59/54/602565954.db2.gz PDEWTPXTSMXIPV-QGZVFWFLSA-N -1 0 349.390 3.962 20 0 EHADRM COc1ccc([C@@H](C)C(=O)Nc2ccc(OC)c(NC(=O)[O-])c2)cc1 ZINC000739893507 602567831 /nfs/dbraw/zinc/56/78/31/602567831.db2.gz AFNATCDNQRSIHI-LLVKDONJSA-N -1 0 344.367 3.536 20 0 EHADRM CN(CC1CC1)C(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000739632258 602597485 /nfs/dbraw/zinc/59/74/85/602597485.db2.gz AZELLPMJYMPSKK-UHFFFAOYSA-N -1 0 331.294 3.669 20 0 EHADRM C[C@H]1C[C@H](C)CN(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])C1 ZINC000739077328 602606688 /nfs/dbraw/zinc/60/66/88/602606688.db2.gz FVSLBIPPPGTSQW-STQMWFEESA-N -1 0 331.416 3.627 20 0 EHADRM CC[C@H]1CCCCN1C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2 ZINC000739274254 602609202 /nfs/dbraw/zinc/60/92/02/602609202.db2.gz VUJFNYATBQWGLE-INIZCTEOSA-N -1 0 331.416 3.519 20 0 EHADRM CCN(C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2)[C@@H](C)C(C)C ZINC000739379209 602609270 /nfs/dbraw/zinc/60/92/70/602609270.db2.gz AAIGPJGZGMXMIT-ZDUSSCGKSA-N -1 0 333.432 3.621 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)c2csc(-c3ccoc3)n2)c1 ZINC000740705314 602626160 /nfs/dbraw/zinc/62/61/60/602626160.db2.gz SIORHCDNURWPNT-UHFFFAOYSA-N -1 0 347.327 3.884 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2csc(-c3ccoc3)n2)cc1 ZINC000738666446 602627096 /nfs/dbraw/zinc/62/70/96/602627096.db2.gz GGXVUBWWRMCARQ-UHFFFAOYSA-N -1 0 329.337 3.745 20 0 EHADRM CN(C(=O)CC[C@H](NC(=O)[O-])c1ccccc1)c1cc(F)ccc1F ZINC000739575151 602642430 /nfs/dbraw/zinc/64/24/30/602642430.db2.gz SGQQPLMUHROBIS-HNNXBMFYSA-N -1 0 348.349 3.717 20 0 EHADRM C[C@H](NC(=O)C1(NC(=O)[O-])CCCC1)c1csc2ccccc21 ZINC000738953281 602675662 /nfs/dbraw/zinc/67/56/62/602675662.db2.gz PACFDGBIAQYUJB-NSHDSACASA-N -1 0 332.425 3.659 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)CC1CCN(C(=O)[O-])CC1)C(C)C ZINC000740183334 602690045 /nfs/dbraw/zinc/69/00/45/602690045.db2.gz JQWGXLXDUFNFFH-GOSISDBHSA-N -1 0 332.444 3.588 20 0 EHADRM CC[C@@H](NC(=O)N1CCC([C@H](C)NC(=O)[O-])CC1)c1ccc(C)cc1 ZINC000739264252 602692815 /nfs/dbraw/zinc/69/28/15/602692815.db2.gz RVYGUUHGIYYUPJ-WMLDXEAASA-N -1 0 347.459 3.524 20 0 EHADRM Cc1ccccc1[C@H](CC(C)C)NC(=O)NC1CCN(C(=O)[O-])CC1 ZINC000738322509 602718919 /nfs/dbraw/zinc/71/89/19/602718919.db2.gz VBCGWUVLWMCFHW-KRWDZBQOSA-N -1 0 347.459 3.524 20 0 EHADRM O=C([O-])NCc1cccc(OC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000740678208 602728871 /nfs/dbraw/zinc/72/88/71/602728871.db2.gz AVVBJCPHXBVPGG-UHFFFAOYSA-N -1 0 329.396 3.576 20 0 EHADRM C[C@H](NC(=O)[O-])C1CCN(C(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000739077857 602753787 /nfs/dbraw/zinc/75/37/87/602753787.db2.gz GXZAAQBDUNYDCV-ILXRZTDVSA-N -1 0 338.492 3.734 20 0 EHADRM C[C@@H]1CN(Cc2csc(C3CCCCC3)n2)CC[C@H]1NC(=O)[O-] ZINC000739193260 602760325 /nfs/dbraw/zinc/76/03/25/602760325.db2.gz SQRPKIXDXTVLGD-IUODEOHRSA-N -1 0 337.489 3.669 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(CCc2cc(Cl)cs2)n1 ZINC000738822671 602779243 /nfs/dbraw/zinc/77/92/43/602779243.db2.gz JPWYGAHONAHGDT-LLVKDONJSA-N -1 0 343.836 3.925 20 0 EHADRM CC1CCN(c2ccc(NC(=O)CCC(C)(C)NC(=O)[O-])cc2)CC1 ZINC000739110481 602786263 /nfs/dbraw/zinc/78/62/63/602786263.db2.gz XXZKHKUHAQARGA-UHFFFAOYSA-N -1 0 347.459 3.688 20 0 EHADRM C[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)[O-])c1cccnc1 ZINC000739028321 602788655 /nfs/dbraw/zinc/78/86/55/602788655.db2.gz VMQUKMUIHMMWBP-LBPRGKRZSA-N -1 0 335.363 3.816 20 0 EHADRM O=C([O-])NC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(Cl)c1Cl ZINC000740634488 602789277 /nfs/dbraw/zinc/78/92/77/602789277.db2.gz RAEZYMIPTKPPLC-CABZTGNLSA-N -1 0 345.226 3.550 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000738945470 602790807 /nfs/dbraw/zinc/79/08/07/602790807.db2.gz ABUUJMXHDQQROF-JTQLQIEISA-N -1 0 334.322 3.872 20 0 EHADRM O=C([O-])NC[C@@H]1CCCC[C@H]1NC(=O)c1cc(Cl)ccc1Cl ZINC000740636724 602792566 /nfs/dbraw/zinc/79/25/66/602792566.db2.gz WLPXNMSSUOSWKB-TVQRCGJNSA-N -1 0 345.226 3.550 20 0 EHADRM Cc1ccc(CN(C(=O)CCC(C)(C)NC(=O)[O-])C(C)C)s1 ZINC000740122642 602797746 /nfs/dbraw/zinc/79/77/46/602797746.db2.gz RIKDNXSPYXKPKA-UHFFFAOYSA-N -1 0 326.462 3.620 20 0 EHADRM C[C@@H](NC(=O)CCC(C)(C)NC(=O)[O-])c1csc2ccccc21 ZINC000738962710 602803856 /nfs/dbraw/zinc/80/38/56/602803856.db2.gz ZNXGPOBRLVXMNM-LLVKDONJSA-N -1 0 334.441 3.905 20 0 EHADRM C[C@H](C(=O)Nc1cccc2c1CCN(C(=O)[O-])C2)c1cccs1 ZINC000738638705 602807053 /nfs/dbraw/zinc/80/70/53/602807053.db2.gz OJZROBFWVOOYNK-NSHDSACASA-N -1 0 330.409 3.526 20 0 EHADRM Cc1ccc(N(C)C(=O)[C@H](C)[C@@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000830332760 602807250 /nfs/dbraw/zinc/80/72/50/602807250.db2.gz BXHGPFAIUZUADB-RHSMWYFYSA-N -1 0 326.396 3.603 20 0 EHADRM C[C@H]1c2c(F)cccc2CCN1C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739205968 602816901 /nfs/dbraw/zinc/81/69/01/602816901.db2.gz IBWBMKQCTLFFOZ-JTQLQIEISA-N -1 0 346.333 3.814 20 0 EHADRM Cc1ccc(C(=O)NCC2(c3ccccc3C)CC2)cc1NC(=O)[O-] ZINC000830216856 602818203 /nfs/dbraw/zinc/81/82/03/602818203.db2.gz MDRPAAZIVASVDK-UHFFFAOYSA-N -1 0 338.407 3.855 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N2CC[C@@H](CN(C)C(=O)[O-])C2)cc1 ZINC000738879484 602833246 /nfs/dbraw/zinc/83/32/46/602833246.db2.gz VSKNPERBLMONGE-CVEARBPZSA-N -1 0 346.471 3.762 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)CCCCCCNC(=O)[O-])C1 ZINC000740181208 602842233 /nfs/dbraw/zinc/84/22/33/602842233.db2.gz NRTSYOMJNLJLRV-IAGOWNOFSA-N -1 0 346.471 3.918 20 0 EHADRM CCC[C@@H](CC1CCCCC1)C(=O)N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739307084 602847757 /nfs/dbraw/zinc/84/77/57/602847757.db2.gz SXQFEVHRPLBSTN-SJORKVTESA-N -1 0 338.492 3.831 20 0 EHADRM CC(C)N(C(=O)[C@H](C)[C@H](NC(=O)[O-])c1ccccc1)C1CCCC1 ZINC000823647596 602848550 /nfs/dbraw/zinc/84/85/50/602848550.db2.gz MAAXASPKNIUXDQ-PBHICJAKSA-N -1 0 332.444 3.811 20 0 EHADRM CCc1ccccc1CNC(=O)Nc1ccc(NC(=O)[O-])c(OC)c1 ZINC000739547377 602915037 /nfs/dbraw/zinc/91/50/37/602915037.db2.gz LHTPYUDBSVYDOT-UHFFFAOYSA-N -1 0 343.383 3.669 20 0 EHADRM CC(C)c1ccc(NC(=S)NC2CCC(NC(=O)[O-])CC2)cc1 ZINC000738877973 602930971 /nfs/dbraw/zinc/93/09/71/602930971.db2.gz WKABMWANLUQPEZ-UHFFFAOYSA-N -1 0 335.473 3.675 20 0 EHADRM C[C@@H](CC(=O)OC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1cccc(F)c1 ZINC000738891380 602948146 /nfs/dbraw/zinc/94/81/46/602948146.db2.gz NPKRVZNHTAGJRJ-AEZOWIDVSA-N -1 0 335.375 3.536 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(C[C@H](C)c2cccc(F)c2)n1 ZINC000738817382 602949593 /nfs/dbraw/zinc/94/95/93/602949593.db2.gz QPKKYUJEDUJESA-SMDDNHRTSA-N -1 0 335.379 3.910 20 0 EHADRM C[C@H](C(=O)N1CCC[C@H]1c1ccco1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823670516 602949659 /nfs/dbraw/zinc/94/96/59/602949659.db2.gz XQEXMKZEAJTEHJ-JLJPHGGASA-N -1 0 342.395 3.588 20 0 EHADRM C[C@@H](CC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1)NC(=O)[O-] ZINC000824583945 602957649 /nfs/dbraw/zinc/95/76/49/602957649.db2.gz WKJMBNDLJHTNCO-WFASDCNBSA-N -1 0 338.835 3.830 20 0 EHADRM CC(C)(CC(=O)Oc1ccccc1SC(F)(F)F)NC(=O)[O-] ZINC000738740799 602976010 /nfs/dbraw/zinc/97/60/10/602976010.db2.gz WAGXOMWNUQWQKT-UHFFFAOYSA-N -1 0 337.319 3.640 20 0 EHADRM O=C([O-])NC1CCC(NC(=O)C2CCC(c3ccccc3)CC2)CC1 ZINC000832312590 602979690 /nfs/dbraw/zinc/97/96/90/602979690.db2.gz HINNWSJWOBRXJK-UHFFFAOYSA-N -1 0 344.455 3.655 20 0 EHADRM C[C@@H]1CN(C(=O)CCCCCCNC(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000739125531 602982968 /nfs/dbraw/zinc/98/29/68/602982968.db2.gz AQMURHAVNIBSBK-AEFFLSMTSA-N -1 0 346.471 3.857 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(CNC(=O)[O-])o1)C(C)(C)c1ccccc1 ZINC000826613666 602987146 /nfs/dbraw/zinc/98/71/46/602987146.db2.gz NZYVVILPTKRAHX-MRXNPFEDSA-N -1 0 344.411 3.533 20 0 EHADRM CC(C)(CC(=O)NC(C)(c1ccccc1)c1ccccc1)NC(=O)[O-] ZINC000738732537 602987298 /nfs/dbraw/zinc/98/72/98/602987298.db2.gz MVRDHRBQAOJEOW-UHFFFAOYSA-N -1 0 340.423 3.503 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2C(=O)C[C@H]2CCCN2C(=O)[O-])cc1 ZINC000830281746 602990515 /nfs/dbraw/zinc/99/05/15/602990515.db2.gz LAAKOKGSMZFGPT-SJORKVTESA-N -1 0 330.428 3.581 20 0 EHADRM Cc1c2cccc(F)c2oc1-c1nc(C2(NC(=O)[O-])CCCC2)no1 ZINC000740032689 603003226 /nfs/dbraw/zinc/00/32/26/603003226.db2.gz WHZINIYSJOXFBW-UHFFFAOYSA-N -1 0 345.330 3.967 20 0 EHADRM O=C([O-])NC1(c2noc(-c3csc4ccccc34)n2)CCCC1 ZINC000740548319 603003991 /nfs/dbraw/zinc/00/39/91/603003991.db2.gz HIIIFHNTKFALFI-UHFFFAOYSA-N -1 0 329.381 3.988 20 0 EHADRM C[C@@H](Oc1cccc(Cl)c1)c1nc([C@@H](C)CN(C)C(=O)[O-])no1 ZINC000738908115 603014683 /nfs/dbraw/zinc/01/46/83/603014683.db2.gz NAQPBHFQLYEETK-VHSXEESVSA-N -1 0 339.779 3.576 20 0 EHADRM C[C@@H](CN(C)C(=O)[O-])c1noc(/C=C/c2ccc(Cl)s2)n1 ZINC000738911723 603020533 /nfs/dbraw/zinc/02/05/33/603020533.db2.gz WZTKGOISLXKIES-JQTRYQTASA-N -1 0 327.793 3.668 20 0 EHADRM C[C@@H](CN(C)C(=O)[O-])c1noc(Cc2ccc3ccccc3c2)n1 ZINC000738913049 603023979 /nfs/dbraw/zinc/02/39/79/603023979.db2.gz LMQKJUKFFJIQQU-LBPRGKRZSA-N -1 0 325.368 3.527 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N(CCc2cccc(F)c2)C2CC2)c1 ZINC000740027556 603026633 /nfs/dbraw/zinc/02/66/33/603026633.db2.gz WCCAHFSHKQTWDQ-UHFFFAOYSA-N -1 0 342.370 3.763 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N2CCC[C@H]2c2ccncc2)c1 ZINC000740704272 603038891 /nfs/dbraw/zinc/03/88/91/603038891.db2.gz APPXKMDMAAEGBH-HNNXBMFYSA-N -1 0 344.346 3.680 20 0 EHADRM Cc1cccc(C2(C(=O)Oc3ccc(N(C)C(=O)[O-])cc3)CC2)c1 ZINC000830494241 603041747 /nfs/dbraw/zinc/04/17/47/603041747.db2.gz YYBRJDHUMDJSHC-UHFFFAOYSA-N -1 0 325.364 3.746 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)NCC2(c3ccccc3)CC2)c1 ZINC000740707198 603043286 /nfs/dbraw/zinc/04/32/86/603043286.db2.gz OCBJGOFYCORZSG-UHFFFAOYSA-N -1 0 343.358 3.769 20 0 EHADRM CCN(Cc1nc(-c2ccc(OC)c(Cl)c2)cs1)C(=O)[O-] ZINC000739445854 603070498 /nfs/dbraw/zinc/07/04/98/603070498.db2.gz RJAVLIDHDBVJCK-UHFFFAOYSA-N -1 0 326.805 3.972 20 0 EHADRM CC(C)(C)c1cnc(NC(=O)c2ccc(F)c(NC(=O)[O-])c2)s1 ZINC000823863755 603072513 /nfs/dbraw/zinc/07/25/13/603072513.db2.gz CBJXEDYFSVSIQB-UHFFFAOYSA-N -1 0 337.376 3.922 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)N2CCC[C@@H]2CNC(=O)[O-])cc1 ZINC000824465160 603131366 /nfs/dbraw/zinc/13/13/66/603131366.db2.gz ZUCGNIIXCCIHCP-WMLDXEAASA-N -1 0 332.444 3.562 20 0 EHADRM CC(C)(CC(=O)OCc1csc(C2CCCCC2)n1)NC(=O)[O-] ZINC000738737049 603133910 /nfs/dbraw/zinc/13/39/10/603133910.db2.gz DDSVOMKUEQBJQW-UHFFFAOYSA-N -1 0 340.445 3.670 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N(Cc2ccc(O)cc2)CC2CC2)c1 ZINC000740026796 603156372 /nfs/dbraw/zinc/15/63/72/603156372.db2.gz DFUQGFYZNOABKJ-UHFFFAOYSA-N -1 0 340.379 3.535 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)N(Cc2ccco2)c2ccccc2)C1 ZINC000740564020 603159200 /nfs/dbraw/zinc/15/92/00/603159200.db2.gz MCZNYLCQINTLFF-HUUCEWRRSA-N -1 0 342.395 3.639 20 0 EHADRM CN(Cc1ccc2ccccc2c1)C(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739712475 603163355 /nfs/dbraw/zinc/16/33/55/603163355.db2.gz BHRZKPKDRVRVGC-MSOLQXFVSA-N -1 0 340.423 3.625 20 0 EHADRM Cc1ccc(C)c([C@H](C)N(C)C(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)c1 ZINC000740117329 603166587 /nfs/dbraw/zinc/16/65/87/603166587.db2.gz RJWQBUSYNZMWPW-HRCADAONSA-N -1 0 332.444 3.649 20 0 EHADRM O=C([O-])N1CCc2c(cccc2NC(=S)Nc2ccc(F)cc2)C1 ZINC000740529115 603173999 /nfs/dbraw/zinc/17/39/99/603173999.db2.gz HRPRBCKGHRNMMH-UHFFFAOYSA-N -1 0 345.399 3.671 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1)c1cccs1 ZINC000738806133 603178490 /nfs/dbraw/zinc/17/84/90/603178490.db2.gz CIOBGLQEDBZMJZ-RDBSUJKOSA-N -1 0 338.473 3.778 20 0 EHADRM CCOc1ccc(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)cc1 ZINC000827428784 603179879 /nfs/dbraw/zinc/17/98/79/603179879.db2.gz XQSYYDPISHAKJQ-LBPRGKRZSA-N -1 0 328.368 3.666 20 0 EHADRM O=C([O-])N1CCc2c(cccc2NC(=O)c2cc3ccccc3o2)C1 ZINC000740474913 603180540 /nfs/dbraw/zinc/18/05/40/603180540.db2.gz XSQNWIORNOFBNM-UHFFFAOYSA-N -1 0 336.347 3.721 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)/C=C/c2cccc(F)c2)cc1 ZINC000825418818 603184649 /nfs/dbraw/zinc/18/46/49/603184649.db2.gz XXOXZAUABPYRPX-DJTWPOEFSA-N -1 0 328.343 3.806 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@H](C(=O)Nc2scnc2-c2ccccc2)C1 ZINC000740561869 603186920 /nfs/dbraw/zinc/18/69/20/603186920.db2.gz DVGLTBPGMVREAE-STQMWFEESA-N -1 0 345.424 3.575 20 0 EHADRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)Nc1ccccc1C(C)(C)C ZINC000738806272 603195903 /nfs/dbraw/zinc/19/59/03/603195903.db2.gz OERUDWWSJUBARV-CYBMUJFWSA-N -1 0 335.448 3.788 20 0 EHADRM CC(C)[C@H](c1ccccc1)N(C)C(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000738799204 603203842 /nfs/dbraw/zinc/20/38/42/603203842.db2.gz HCIQEOZARCKQIA-GVDBMIGSSA-N -1 0 332.444 3.669 20 0 EHADRM CCS[C@H]1CC[C@@H](N(C)C(=O)c2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000827494680 603209187 /nfs/dbraw/zinc/20/91/87/603209187.db2.gz CRTGLTPZQGEHKQ-NEPJUHHUSA-N -1 0 340.420 3.662 20 0 EHADRM C[C@H](C(=O)Nc1ccccc1Cl)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823725024 603210999 /nfs/dbraw/zinc/21/09/99/603210999.db2.gz WAIAXZZGRAXNNK-NHYWBVRUSA-N -1 0 332.787 3.924 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NCCCOc2ccccc2)c(Cl)c1 ZINC000740698664 603213967 /nfs/dbraw/zinc/21/39/67/603213967.db2.gz MUYAEMCEYUKGPC-UHFFFAOYSA-N -1 0 348.786 3.629 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NCc1ccc(C)cc1 ZINC000829187485 603223361 /nfs/dbraw/zinc/22/33/61/603223361.db2.gz IPHZEUHOJPFAFB-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM Cc1cc(F)ccc1NC(=O)[C@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000830068888 603226042 /nfs/dbraw/zinc/22/60/42/603226042.db2.gz QEHQOWPSAGHHBT-MLGOLLRUSA-N -1 0 330.359 3.718 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)o1 ZINC000830281435 603230998 /nfs/dbraw/zinc/23/09/98/603230998.db2.gz GOEPBUSEQVZXKW-MIGQKNRLSA-N -1 0 348.443 3.714 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)c(Cl)c1 ZINC000740699123 603233670 /nfs/dbraw/zinc/23/36/70/603233670.db2.gz QNLSBQPICMZAPV-ZFWWWQNUSA-N -1 0 348.761 3.855 20 0 EHADRM C[C@H](C(=O)Nc1cccc2cccnc21)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823724957 603234026 /nfs/dbraw/zinc/23/40/26/603234026.db2.gz VCEIUFIBMNLPSN-SUMWQHHRSA-N -1 0 349.390 3.818 20 0 EHADRM C[C@H](NC(=O)c1ccc(CNC(=O)[O-])o1)c1cccc2ccccc21 ZINC000825460116 603236603 /nfs/dbraw/zinc/23/66/03/603236603.db2.gz XJTAKQUMJWPVER-LBPRGKRZSA-N -1 0 338.363 3.691 20 0 EHADRM CSc1ccc(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)cn1 ZINC000740019636 603239610 /nfs/dbraw/zinc/23/96/10/603239610.db2.gz MDFSTIKCOWSBCB-UHFFFAOYSA-N -1 0 337.788 3.799 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1NC(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000740091382 603245152 /nfs/dbraw/zinc/24/51/52/603245152.db2.gz MOGYJCBWPIIOGE-CQSZACIVSA-N -1 0 340.379 3.726 20 0 EHADRM C[C@@H](NC(=O)[C@@H](NC(=O)[O-])c1cccc(Cl)c1)c1cccs1 ZINC000738954570 603265475 /nfs/dbraw/zinc/26/54/75/603265475.db2.gz YQZCOMVJEWYBCU-RNCFNFMXSA-N -1 0 338.816 3.588 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)Nc2ccccc2N(C)C)cc1 ZINC000825443095 603266963 /nfs/dbraw/zinc/26/69/63/603266963.db2.gz XTXRWWVLHKKUAB-GFCCVEGCSA-N -1 0 342.399 3.725 20 0 EHADRM COc1ccc(NC(=O)N[C@H](C)C2CCCCC2)cc1NC(=O)[O-] ZINC000829465515 603271406 /nfs/dbraw/zinc/27/14/06/603271406.db2.gz PVVLARANEITCJG-LLVKDONJSA-N -1 0 335.404 3.875 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N(C)C2CCN(C(=O)[O-])CC2)cc1 ZINC000738883109 603277124 /nfs/dbraw/zinc/27/71/24/603277124.db2.gz OGZBXSDINZNZNB-ROUUACIJSA-N -1 0 344.455 3.514 20 0 EHADRM COc1cc(NC(=O)N2CCC3(C2)CCCCC3)ccc1NC(=O)[O-] ZINC000829159409 603281897 /nfs/dbraw/zinc/28/18/97/603281897.db2.gz RTKBYIXZPNORSC-UHFFFAOYSA-N -1 0 347.415 3.973 20 0 EHADRM COc1cc(NC(=O)N[C@@H](C)C2CCCCC2)ccc1NC(=O)[O-] ZINC000829158498 603281899 /nfs/dbraw/zinc/28/18/99/603281899.db2.gz FFWQPVMBQQMMLX-NSHDSACASA-N -1 0 335.404 3.875 20 0 EHADRM O=C([O-])N1CCC(N(C(=O)[C@@H]2CC=CCC2)c2ccccc2F)CC1 ZINC000740499649 603300222 /nfs/dbraw/zinc/30/02/22/603300222.db2.gz BTTOMOYASQOWNX-CQSZACIVSA-N -1 0 346.402 3.657 20 0 EHADRM Cc1nc(CN(Cc2ccccc2)[C@@H]2CCCN(C(=O)[O-])C2)cs1 ZINC000740224838 603304802 /nfs/dbraw/zinc/30/48/02/603304802.db2.gz ZKBGTGXNXFKTLJ-QGZVFWFLSA-N -1 0 345.468 3.596 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc(NC(=O)[O-])cc1)SC ZINC000826540635 603310793 /nfs/dbraw/zinc/31/07/93/603310793.db2.gz CEWFITLQQNKVRB-UHFFFAOYSA-N -1 0 325.434 3.820 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)N[C@H]2C[C@H]2C2CCCCC2)c1 ZINC000832724844 603321246 /nfs/dbraw/zinc/32/12/46/603321246.db2.gz PSAHTFIKIAJBAR-HOTGVXAUSA-N -1 0 331.416 3.545 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NCCC(C)(C)C ZINC000829182285 603321247 /nfs/dbraw/zinc/32/12/47/603321247.db2.gz JTYHUKQECIPCRR-UHFFFAOYSA-N -1 0 328.796 3.605 20 0 EHADRM C[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739060696 603321943 /nfs/dbraw/zinc/32/19/43/603321943.db2.gz ZIDSLSRTZYHPCW-GFCCVEGCSA-N -1 0 345.374 3.818 20 0 EHADRM CC(C)C1CCN(C(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)CC1 ZINC000824158306 603323388 /nfs/dbraw/zinc/32/33/88/603323388.db2.gz QYKJVMRKRDWLFN-UHFFFAOYSA-N -1 0 345.443 3.623 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000740676313 603331572 /nfs/dbraw/zinc/33/15/72/603331572.db2.gz FPNRKJIWWZMZBU-QGZVFWFLSA-N -1 0 339.395 3.653 20 0 EHADRM C[C@H]1CCC[C@H](C)N(C(=O)Nc2cccc(CN(C)C(=O)[O-])c2)C1 ZINC000825887997 603336453 /nfs/dbraw/zinc/33/64/53/603336453.db2.gz NHCGDSUFBLIWLJ-KBPBESRZSA-N -1 0 333.432 3.839 20 0 EHADRM CC[C@@H]1CCCCN1C(=O)Nc1ccccc1CN(CC)C(=O)[O-] ZINC000739266562 603349131 /nfs/dbraw/zinc/34/91/31/603349131.db2.gz GHRRFYYYPZKVSD-OAHLLOKOSA-N -1 0 333.432 3.983 20 0 EHADRM CC(C)c1ccc2c(c1)CCCN2C(=O)c1ccc(CNC(=O)[O-])o1 ZINC000824470146 603355403 /nfs/dbraw/zinc/35/54/03/603355403.db2.gz MIHHUOPMUQNONL-UHFFFAOYSA-N -1 0 342.395 3.764 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2cccc(CN(C)C(=O)[O-])c2)o1 ZINC000740113354 603357024 /nfs/dbraw/zinc/35/70/24/603357024.db2.gz MUKBARSNPVAXIV-GFCCVEGCSA-N -1 0 331.372 3.581 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)NCCc2ccc(F)cc2)cc1 ZINC000825434499 603368414 /nfs/dbraw/zinc/36/84/14/603368414.db2.gz ULHBHHPCQBJIEN-GFCCVEGCSA-N -1 0 345.374 3.519 20 0 EHADRM CCc1ccccc1NC(=S)NC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000739548150 603378330 /nfs/dbraw/zinc/37/83/30/603378330.db2.gz BIXWYVJFWGUGGY-MRXNPFEDSA-N -1 0 343.452 3.544 20 0 EHADRM Cc1ccc(NC(=S)NC[C@H](NC(=O)[O-])c2ccccc2)c(C)c1 ZINC000740139516 603378954 /nfs/dbraw/zinc/37/89/54/603378954.db2.gz OUGYVQSESGRAMH-INIZCTEOSA-N -1 0 343.452 3.599 20 0 EHADRM Cc1ccc(NC(=S)NC[C@@H](NC(=O)[O-])c2ccccc2)c(C)c1 ZINC000740139517 603379010 /nfs/dbraw/zinc/37/90/10/603379010.db2.gz OUGYVQSESGRAMH-MRXNPFEDSA-N -1 0 343.452 3.599 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)C[C@H]2CCc3ccccc32)c1 ZINC000739916977 603397868 /nfs/dbraw/zinc/39/78/68/603397868.db2.gz DBBRYMPBVKEBBM-CYBMUJFWSA-N -1 0 340.379 3.844 20 0 EHADRM COc1c(Cl)cccc1NC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000829067115 603398005 /nfs/dbraw/zinc/39/80/05/603398005.db2.gz REBQDFIHEHRSLW-UHFFFAOYSA-N -1 0 334.759 3.999 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)N[C@H]2CCCC[C@H]2c2ccccc2)o1 ZINC000832692548 603406185 /nfs/dbraw/zinc/40/61/85/603406185.db2.gz YJHXEEUGSXMDNR-HOTGVXAUSA-N -1 0 342.395 3.503 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)c2ccc(CNC(=O)[O-])o2)cc1C ZINC000830283799 603410719 /nfs/dbraw/zinc/41/07/19/603410719.db2.gz YHPALKHXSNNQCV-MRXNPFEDSA-N -1 0 342.395 3.641 20 0 EHADRM O=C([O-])NCc1cccc(OC(=O)[C@@H]2CCSc3ccccc32)c1 ZINC000740679977 603414985 /nfs/dbraw/zinc/41/49/85/603414985.db2.gz NWYYSUDUHUUGBX-OAHLLOKOSA-N -1 0 343.404 3.639 20 0 EHADRM CC(C)(C)c1ncc(/C=C/c2nc(C3(NC(=O)[O-])CCC3)no2)s1 ZINC000823870404 603418774 /nfs/dbraw/zinc/41/87/74/603418774.db2.gz XAKWUNCJFXUJMY-AATRIKPKSA-N -1 0 348.428 3.641 20 0 EHADRM C[C@H]1CN(C)c2ccccc2N(C(=O)c2cccc(NC(=O)[O-])c2)C1 ZINC000736810861 603434535 /nfs/dbraw/zinc/43/45/35/603434535.db2.gz WLNIKXKLLDUAMV-ZDUSSCGKSA-N -1 0 339.395 3.509 20 0 EHADRM CSc1ccc(NC(=O)C[C@H](Cc2ccccc2)NC(=O)[O-])cc1 ZINC000829766067 603438322 /nfs/dbraw/zinc/43/83/22/603438322.db2.gz CYLJAQKGFKCSML-HNNXBMFYSA-N -1 0 344.436 3.616 20 0 EHADRM CC(C)(CNC(=O)Nc1ccccc1-c1cccs1)NC(=O)[O-] ZINC000823946101 603446281 /nfs/dbraw/zinc/44/62/81/603446281.db2.gz ADWMMMWFZOKYTQ-UHFFFAOYSA-N -1 0 333.413 3.583 20 0 EHADRM C[C@@H](CN(C)C(=O)[O-])c1noc(-c2cccc(C(F)(F)F)c2F)n1 ZINC000824902764 603462449 /nfs/dbraw/zinc/46/24/49/603462449.db2.gz ORKWNDSYALOKLW-ZETCQYMHSA-N -1 0 347.268 3.608 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc(-c2cc(F)cc(C(F)(F)F)c2)n1 ZINC000824900662 603463008 /nfs/dbraw/zinc/46/30/08/603463008.db2.gz BWZIYHIVYFSUSE-SSDOTTSWSA-N -1 0 347.268 3.608 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)C/C=C/c2ccc(F)cc2)c1 ZINC000829469449 603485637 /nfs/dbraw/zinc/48/56/37/603485637.db2.gz QSMPCQNRNKYOHO-NSCUHMNNSA-N -1 0 344.342 3.966 20 0 EHADRM O=C([O-])Nc1ccc(C(F)(F)F)cc1NC(=O)CC[C@H]1CCOC1 ZINC000832838760 603514340 /nfs/dbraw/zinc/51/43/40/603514340.db2.gz MEUFLVGSHIOWQJ-VIFPVBQESA-N -1 0 346.305 3.551 20 0 EHADRM COc1ccc2cc([C@H](C)OC(=O)CCCNC(=O)[O-])ccc2c1 ZINC000829526294 603516246 /nfs/dbraw/zinc/51/62/46/603516246.db2.gz HUZRJGYDVYKMRJ-LBPRGKRZSA-N -1 0 331.368 3.500 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N1CCC[C@@H](C)[C@@H]1C ZINC000829173514 603541561 /nfs/dbraw/zinc/54/15/61/603541561.db2.gz KIRHGSOTUQVOPH-ZJUUUORDSA-N -1 0 340.807 3.699 20 0 EHADRM O=C([O-])N[C@H]1CC[C@H](C(=O)Nc2cccc(-c3cccs3)c2)C1 ZINC000832285667 603549199 /nfs/dbraw/zinc/54/91/99/603549199.db2.gz GFHZVMUBASGRJZ-JSGCOSHPSA-N -1 0 330.409 3.790 20 0 EHADRM COc1cc(NC(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)ccc1NC(=O)[O-] ZINC000829159212 603583109 /nfs/dbraw/zinc/58/31/09/603583109.db2.gz PHDLVRGCJYUICF-TYNCELHUSA-N -1 0 347.415 3.970 20 0 EHADRM CSc1ccc(F)cc1CNC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000829760364 603595625 /nfs/dbraw/zinc/59/56/25/603595625.db2.gz KMCFSWXIUCDWTH-UHFFFAOYSA-N -1 0 349.387 3.959 20 0 EHADRM Cc1cccc(NC(=O)N2CCC[C@H](CN(C)C(=O)[O-])C2)c1Cl ZINC000830516987 603606305 /nfs/dbraw/zinc/60/63/05/603606305.db2.gz PZIXNIZBIYFXHX-GFCCVEGCSA-N -1 0 339.823 3.502 20 0 EHADRM Cc1c(F)cccc1NC(=O)N1CCC[C@@H]([C@H]2CCCN2C(=O)[O-])C1 ZINC000829872538 603610639 /nfs/dbraw/zinc/61/06/39/603610639.db2.gz XCIQWXUDMNVJBN-CZUORRHYSA-N -1 0 349.406 3.520 20 0 EHADRM O=C([O-])N1CCc2c(cccc2NC(=O)c2cccc3cnccc32)C1 ZINC000831789206 603619008 /nfs/dbraw/zinc/61/90/08/603619008.db2.gz OVVMSZLCIKRFCB-UHFFFAOYSA-N -1 0 347.374 3.523 20 0 EHADRM Cc1c(NC(=O)c2ccc(CNC(=O)[O-])cc2)sc2c1CCCC2 ZINC000829884818 603634075 /nfs/dbraw/zinc/63/40/75/603634075.db2.gz UGONNCOHLKPILC-UHFFFAOYSA-N -1 0 344.436 3.955 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2cccc3cnccc32)cc1 ZINC000825449558 603637436 /nfs/dbraw/zinc/63/74/36/603637436.db2.gz TXWWPCKGFCGJGT-LBPRGKRZSA-N -1 0 335.363 3.816 20 0 EHADRM CC(C)C[C@@H]1CCN(C(=O)[C@@H](C)[C@H](NC(=O)[O-])c2ccccc2)C1 ZINC000824223138 603641929 /nfs/dbraw/zinc/64/19/29/603641929.db2.gz CDAGXIDLCJYHJX-ZOBUZTSGSA-N -1 0 332.444 3.526 20 0 EHADRM CC(C)C[C@@H]1CCN(C(=O)CC[C@H](NC(=O)[O-])c2ccccc2)C1 ZINC000824223282 603642027 /nfs/dbraw/zinc/64/20/27/603642027.db2.gz FBQAFAGUQDBBLF-RDJZCZTQSA-N -1 0 332.444 3.670 20 0 EHADRM Cc1c(F)cccc1NC(=O)c1cccn1C1CCN(C(=O)[O-])CC1 ZINC000829872296 603778935 /nfs/dbraw/zinc/77/89/35/603778935.db2.gz RPAKBAAREXUYOK-UHFFFAOYSA-N -1 0 345.374 3.503 20 0 EHADRM Cc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2F)cc1NC(=O)[O-] ZINC000830206097 603784230 /nfs/dbraw/zinc/78/42/30/603784230.db2.gz XBFOUDNGEJCWBQ-SNVBAGLBSA-N -1 0 334.322 3.854 20 0 EHADRM CC[C@@H]1CC[C@@H](C(=O)Nc2ccc(NC(=O)[O-])cc2C(F)(F)F)O1 ZINC000826661547 603797692 /nfs/dbraw/zinc/79/76/92/603797692.db2.gz RUZGVYSUSQKSBF-SKDRFNHKSA-N -1 0 346.305 3.691 20 0 EHADRM CN(C(=S)Nc1ccccc1Cl)C1CCC(NC(=O)[O-])CC1 ZINC000827949824 603829295 /nfs/dbraw/zinc/82/92/95/603829295.db2.gz LUUVVYTWDUFSHS-UHFFFAOYSA-N -1 0 341.864 3.547 20 0 EHADRM CCc1cccc(NC(=S)N(C)CC[C@H](NC(=O)[O-])C(C)C)c1 ZINC000827599240 603831085 /nfs/dbraw/zinc/83/10/85/603831085.db2.gz GENNZNSPQOEZPV-HNNXBMFYSA-N -1 0 337.489 3.560 20 0 EHADRM CC(C)C[C@H](NC(=O)CC1CN(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000824204294 603835262 /nfs/dbraw/zinc/83/52/62/603835262.db2.gz QCVRTSVQKLHGEM-HNNXBMFYSA-N -1 0 338.835 3.543 20 0 EHADRM CC(C)(C)C[C@H]1CCCN1C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000823765872 603865248 /nfs/dbraw/zinc/86/52/48/603865248.db2.gz BXZJTGPYMCXFEO-WTXIUTQJSA-N -1 0 336.476 3.725 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)Nc1nc(C2CC2)cs1 ZINC000831810540 603966061 /nfs/dbraw/zinc/96/60/61/603966061.db2.gz PJZBGLYUONVCIG-UHFFFAOYSA-N -1 0 344.396 3.705 20 0 EHADRM CN(C(=O)Nc1cccc2c1CCN2C(=O)[O-])C1CCCCCC1 ZINC000827809003 603973659 /nfs/dbraw/zinc/97/36/59/603973659.db2.gz BPMASXRGLULZRT-UHFFFAOYSA-N -1 0 331.416 3.914 20 0 EHADRM CC1(C)CCCN(C(=O)Nc2cccc3c2CCN3C(=O)[O-])CC1 ZINC000825713589 603976533 /nfs/dbraw/zinc/97/65/33/603976533.db2.gz CULIWOHOPSIGTI-UHFFFAOYSA-N -1 0 331.416 3.771 20 0 EHADRM CCC(CC)N(C(=O)Nc1cccc2c1CCN2C(=O)[O-])C1CC1 ZINC000826572603 603978873 /nfs/dbraw/zinc/97/88/73/603978873.db2.gz XRRZBNQDWLACPM-UHFFFAOYSA-N -1 0 331.416 3.912 20 0 EHADRM CCC[C@H]1CCCN(C(=O)Nc2ccc(OC)c(NC(=O)[O-])c2)C1 ZINC000826775877 603982239 /nfs/dbraw/zinc/98/22/39/603982239.db2.gz VMYWWSKKYORKIJ-LBPRGKRZSA-N -1 0 335.404 3.829 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)N1CCC2(C1)CCCCC2 ZINC000831793924 603985147 /nfs/dbraw/zinc/98/51/47/603985147.db2.gz RNAWMFUPUWPUGN-UHFFFAOYSA-N -1 0 343.427 3.915 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2cccc3c2CCN3C(=O)[O-])s1 ZINC000830257110 603992186 /nfs/dbraw/zinc/99/21/86/603992186.db2.gz RJGUEWVZGYJWAK-NSHDSACASA-N -1 0 345.424 3.980 20 0 EHADRM CS[C@@H]1CCC[C@@H](NC(=O)Nc2cccc3c2CCN3C(=O)[O-])C1 ZINC000829710480 603995056 /nfs/dbraw/zinc/99/50/56/603995056.db2.gz NFLSSOWNCUZGID-VXGBXAGGSA-N -1 0 349.456 3.523 20 0 EHADRM Cc1ccc(NC(=O)[O-])c(OCc2csc(-c3cnn(C)c3)n2)c1 ZINC000830390091 604050978 /nfs/dbraw/zinc/05/09/78/604050978.db2.gz GBODOWXCPMJOII-UHFFFAOYSA-N -1 0 344.396 3.521 20 0 EHADRM Cc1cc(C)c(NC(=O)N2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)c(C)c1 ZINC000829990768 604062424 /nfs/dbraw/zinc/06/24/24/604062424.db2.gz HJLOXHVDDKSTMD-HUUCEWRRSA-N -1 0 333.432 3.512 20 0 EHADRM Cc1cccc(NC(=O)N2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)c1Cl ZINC000830517466 604094690 /nfs/dbraw/zinc/09/46/90/604094690.db2.gz YDRMKVJNQCESGD-NWDGAFQWSA-N -1 0 339.823 3.548 20 0 EHADRM CN(C(=O)Nc1ccc(Cl)cc1F)C1CCC(NC(=O)[O-])CC1 ZINC000827807094 604119340 /nfs/dbraw/zinc/11/93/40/604119340.db2.gz TVSDDJYBIIDAQA-UHFFFAOYSA-N -1 0 343.786 3.522 20 0 EHADRM COc1cc(NC(=O)N2CCC[C@H]3CCC[C@@H]32)ccc1NC(=O)[O-] ZINC000829159668 604135311 /nfs/dbraw/zinc/13/53/11/604135311.db2.gz XADMRQROVCMNTR-RISCZKNCSA-N -1 0 333.388 3.582 20 0 EHADRM CCSc1cccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1 ZINC000827508377 604141360 /nfs/dbraw/zinc/14/13/60/604141360.db2.gz LLWWQMZXVHPSQI-KGLIPLIRSA-N -1 0 349.456 3.547 20 0 EHADRM CC(C)[C@H](OC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccccn1 ZINC000824150283 604155730 /nfs/dbraw/zinc/15/57/30/604155730.db2.gz MPMRVUSFGAZSHX-MUSFGAPCSA-N -1 0 346.427 3.633 20 0 EHADRM CC(C)[C@@H](OC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccccn1 ZINC000824150282 604155779 /nfs/dbraw/zinc/15/57/79/604155779.db2.gz MPMRVUSFGAZSHX-KRWWSPQJSA-N -1 0 346.427 3.633 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)Oc2ccc(-c3cscn3)cc2)C1 ZINC000832332600 604213063 /nfs/dbraw/zinc/21/30/63/604213063.db2.gz NRLDMGFCFYLVOG-OLZOCXBDSA-N -1 0 346.408 3.542 20 0 EHADRM COc1cccc2c(N3Cc4ccc(C(=O)[O-])cc4C3)cc(C)nc12 ZINC000832572993 604265257 /nfs/dbraw/zinc/26/52/57/604265257.db2.gz PKKCGDFNMQRDTR-UHFFFAOYSA-N -1 0 334.375 3.770 20 0 EHADRM CC(C)N(C(=O)CNc1ccc([C@@H](C)NC(=O)[O-])cc1)C1CCCC1 ZINC000825449229 604270649 /nfs/dbraw/zinc/27/06/49/604270649.db2.gz MBQBYNRBDWUNHD-CQSZACIVSA-N -1 0 347.459 3.607 20 0 EHADRM CCCN(CCc1cccc(F)c1)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000829492094 604274296 /nfs/dbraw/zinc/27/42/96/604274296.db2.gz RIIJOTPCMBNNMK-UHFFFAOYSA-N -1 0 347.361 3.758 20 0 EHADRM CCCOc1ccc([C@H](C)NC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)cc1 ZINC000829527978 604277421 /nfs/dbraw/zinc/27/74/21/604277421.db2.gz NTWFWCDWBUPJOF-LBPRGKRZSA-N -1 0 344.411 3.610 20 0 EHADRM C[C@H](CC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1)c1ccncc1 ZINC000824684990 604294564 /nfs/dbraw/zinc/29/45/64/604294564.db2.gz HWTXLVMAFUTTCD-OLZOCXBDSA-N -1 0 327.384 3.543 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)C[C@H](C)c2ccncc2)cc1 ZINC000824684991 604294731 /nfs/dbraw/zinc/29/47/31/604294731.db2.gz HWTXLVMAFUTTCD-QWHCGFSZSA-N -1 0 327.384 3.543 20 0 EHADRM C[C@@H](c1ccccc1)N(C(=O)c1ccc(C(=O)[O-])c(F)c1)C1CC1 ZINC000827941512 604295920 /nfs/dbraw/zinc/29/59/20/604295920.db2.gz LFSPCKZMMITMNZ-LBPRGKRZSA-N -1 0 327.355 3.890 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])c(F)c2)[C@H]1c1cccc(F)c1 ZINC000828284086 604298025 /nfs/dbraw/zinc/29/80/25/604298025.db2.gz CENBUNQJWMBANI-APPDUMDISA-N -1 0 345.345 3.886 20 0 EHADRM CC[C@@](NC(=O)c1ccc(F)c(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC000828971620 604311047 /nfs/dbraw/zinc/31/10/47/604311047.db2.gz SHLMRBKSDHDYSQ-KRWDZBQOSA-N -1 0 335.762 3.599 20 0 EHADRM CCN(Cc1ccccc1NC(=O)c1ccc(F)c(OC)c1)C(=O)[O-] ZINC000827186696 604311446 /nfs/dbraw/zinc/31/14/46/604311446.db2.gz BGEFGESNYUXZNW-UHFFFAOYSA-N -1 0 346.358 3.587 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1C[C@H](c2ccccc2C)C[C@H]1C ZINC000738320584 604319722 /nfs/dbraw/zinc/31/97/22/604319722.db2.gz JEVRYMUEGXIEEK-IUODEOHRSA-N -1 0 340.423 3.656 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)Nc2cc(C(=O)[O-])ccc2F)n1 ZINC000832967040 604321153 /nfs/dbraw/zinc/32/11/53/604321153.db2.gz AHVRJEYMNLQDLW-INIZCTEOSA-N -1 0 343.358 3.596 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1ccc(OC(C)C)c(C)c1 ZINC000738242910 604325490 /nfs/dbraw/zinc/32/54/90/604325490.db2.gz YFBLRESOPXLYTR-UHFFFAOYSA-N -1 0 330.384 3.678 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)C[C@@H](C)[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000828828791 604329872 /nfs/dbraw/zinc/32/98/72/604329872.db2.gz BZBMQAGXZVJKOT-IIAWOOMASA-N -1 0 348.443 3.749 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@H](C)c1c(F)cccc1Cl ZINC000832844874 604332060 /nfs/dbraw/zinc/33/20/60/604332060.db2.gz PDCRDXWTXGCWCT-SECBINFHSA-N -1 0 338.766 3.613 20 0 EHADRM COc1ccc(CNC(=O)Nc2ccc(NC(=O)[O-])cc2)cc1Cl ZINC000829389097 604335327 /nfs/dbraw/zinc/33/53/27/604335327.db2.gz HERLPTKRRFIJMW-UHFFFAOYSA-N -1 0 349.774 3.760 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N2CCC(C(F)F)CC2)c1 ZINC000307879552 604342691 /nfs/dbraw/zinc/34/26/91/604342691.db2.gz XXCGHNGUXSCHHF-UHFFFAOYSA-N -1 0 332.734 3.547 20 0 EHADRM O=C([O-])CCc1csc(NC(=O)/C=C/c2ccc(Cl)s2)n1 ZINC000833237728 604348123 /nfs/dbraw/zinc/34/81/23/604348123.db2.gz JXEBDLJACOEQPQ-HWKANZROSA-N -1 0 342.829 3.527 20 0 EHADRM Cc1nc2cc(NC(=O)N[C@H]3CCCCCC[C@@H]3C(=O)[O-])ccc2o1 ZINC000833004005 604368725 /nfs/dbraw/zinc/36/87/25/604368725.db2.gz FYLNZFHJAXCSGS-KBPBESRZSA-N -1 0 345.399 3.681 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1cccc2cccnc21)c1ccccc1 ZINC000826105849 604375234 /nfs/dbraw/zinc/37/52/34/604375234.db2.gz KZCRVPSUJBEIGX-GOSISDBHSA-N -1 0 348.402 3.817 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)c2ccnn2C2CCCC2)c1 ZINC000833316937 604377341 /nfs/dbraw/zinc/37/73/41/604377341.db2.gz IAKRRNGKNMSOKT-UHFFFAOYSA-N -1 0 333.775 3.602 20 0 EHADRM C[C@@H]1CCCC[C@H]1OCC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000828252565 604380019 /nfs/dbraw/zinc/38/00/19/604380019.db2.gz UYQYXMBDRLNPDZ-KYJSFNMBSA-N -1 0 347.455 3.550 20 0 EHADRM COc1ccc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])c(C)c1 ZINC000832169870 604380401 /nfs/dbraw/zinc/38/04/01/604380401.db2.gz UPTZOJMRWSBIBK-QGZVFWFLSA-N -1 0 341.407 3.586 20 0 EHADRM Cc1cc([C@@H](C)N2CCO[C@H](c3ccc(F)cc3)C2)oc1C(=O)[O-] ZINC000519638733 604381052 /nfs/dbraw/zinc/38/10/52/604381052.db2.gz GAPWQOGINUELEC-WBMJQRKESA-N -1 0 333.359 3.560 20 0 EHADRM Cc1cc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])c(C)s1 ZINC000832863968 604381777 /nfs/dbraw/zinc/38/17/77/604381777.db2.gz YUDCZJUVFFEAFS-OAHLLOKOSA-N -1 0 331.437 3.947 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N[C@@H]1CC2CCC1CC2)C(=O)[O-] ZINC000827916499 604394041 /nfs/dbraw/zinc/39/40/41/604394041.db2.gz UBBGBTZTWKNSHF-XZNOPERXSA-N -1 0 333.453 3.560 20 0 EHADRM O=C([O-])Nc1cccc(NCc2cn(-c3ccc(Cl)cc3)nn2)c1 ZINC000833290733 604401470 /nfs/dbraw/zinc/40/14/70/604401470.db2.gz ZNYOORAIFZPNRF-UHFFFAOYSA-N -1 0 343.774 3.623 20 0 EHADRM Cc1cc(Cl)ncc1NC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000832886822 604407908 /nfs/dbraw/zinc/40/79/08/604407908.db2.gz MJIXCUBKNNEPPZ-VXGBXAGGSA-N -1 0 339.823 3.589 20 0 EHADRM C[C@H](OC1CCCCCC1)c1nc(C2(NC(=O)[O-])CCCC2)no1 ZINC000825609565 604423663 /nfs/dbraw/zinc/42/36/63/604423663.db2.gz AMLAPJUXUJMFPU-LBPRGKRZSA-N -1 0 337.420 3.907 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cccc(COC)c1 ZINC000829027600 604428136 /nfs/dbraw/zinc/42/81/36/604428136.db2.gz PHPXWCCTRNCOCT-SFHVURJKSA-N -1 0 341.407 3.511 20 0 EHADRM CSc1ccccc1C(=O)NCc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000829772048 604443535 /nfs/dbraw/zinc/44/35/35/604443535.db2.gz LXEGEEQVSIQQOF-LBPRGKRZSA-N -1 0 344.436 3.667 20 0 EHADRM CSc1ccccc1C(=O)NCc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000829772047 604443657 /nfs/dbraw/zinc/44/36/57/604443657.db2.gz LXEGEEQVSIQQOF-GFCCVEGCSA-N -1 0 344.436 3.667 20 0 EHADRM CCCOc1cccc(CC(=O)O[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000829541297 604445615 /nfs/dbraw/zinc/44/56/15/604445615.db2.gz LAHRVTANMVTOFM-GOSISDBHSA-N -1 0 346.354 3.526 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)C(C)(C)c2ccccc2)cc1 ZINC000825370788 604446134 /nfs/dbraw/zinc/44/61/34/604446134.db2.gz BUJOLBBMPOKNIH-AWEZNQCLSA-N -1 0 340.423 3.609 20 0 EHADRM Cc1ccccc1CNC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000832978029 604455791 /nfs/dbraw/zinc/45/57/91/604455791.db2.gz FKIVYVIAWJBODR-KRWDZBQOSA-N -1 0 340.423 3.646 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])o1 ZINC000832921603 604457238 /nfs/dbraw/zinc/45/72/38/604457238.db2.gz SVFZKBBQTRNXCW-XJKSGUPXSA-N -1 0 344.411 3.800 20 0 EHADRM CC(C)(C)SCCCC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000833446744 604464279 /nfs/dbraw/zinc/46/42/79/604464279.db2.gz GNAZGJDFISDXBG-AWEZNQCLSA-N -1 0 343.876 3.894 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)c2cc(F)cc3cccnc32)cc1 ZINC000833686116 604469948 /nfs/dbraw/zinc/46/99/48/604469948.db2.gz XPIDNVHQHSSAIC-UHFFFAOYSA-N -1 0 339.326 3.740 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000827653551 604486297 /nfs/dbraw/zinc/48/62/97/604486297.db2.gz QAWGSRGVKHXXQX-CZUORRHYSA-N -1 0 332.444 3.694 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)NC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000827592882 604487567 /nfs/dbraw/zinc/48/75/67/604487567.db2.gz VLRLSAXCBXBOPR-VIFPVBQESA-N -1 0 338.816 3.852 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)Nc1cc(C(=O)[O-])cs1)C(C)C ZINC000832983966 604490684 /nfs/dbraw/zinc/49/06/84/604490684.db2.gz RPWVMBMDKDBNCQ-CYBMUJFWSA-N -1 0 333.413 3.669 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)N(C2CC2)C2CCCCC2)cc1 ZINC000833288585 604504058 /nfs/dbraw/zinc/50/40/58/604504058.db2.gz ZMDXQQFBXARHSU-UHFFFAOYSA-N -1 0 345.443 3.826 20 0 EHADRM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000827935774 604506301 /nfs/dbraw/zinc/50/63/01/604506301.db2.gz VQBWOLZYTLXXED-MRVPVSSYSA-N -1 0 340.351 3.949 20 0 EHADRM C[C@H](CNC(=O)Nc1cc(C(=O)[O-])cs1)c1ccc(F)cc1F ZINC000827477656 604509459 /nfs/dbraw/zinc/50/94/59/604509459.db2.gz KYONFDZMDXSUDZ-MRVPVSSYSA-N -1 0 340.351 3.650 20 0 EHADRM CC[C@H]1CCCN(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000829125132 604522728 /nfs/dbraw/zinc/52/27/28/604522728.db2.gz GCUFRXJDYCCXBT-GOEBONIOSA-N -1 0 332.444 3.670 20 0 EHADRM CC(C)[C@H]1CCCN1C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000826735726 604524577 /nfs/dbraw/zinc/52/45/77/604524577.db2.gz IFYBFOANXMEDFZ-CVEARBPZSA-N -1 0 332.444 3.669 20 0 EHADRM CCOc1ccc(C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)cc1OC ZINC000830064343 604541531 /nfs/dbraw/zinc/54/15/31/604541531.db2.gz RELNIIZZWJFNKK-LLVKDONJSA-N -1 0 348.351 3.612 20 0 EHADRM CCn1c2ccccc2nc1CN(CCC(=O)[O-])Cc1ccccc1 ZINC000833683278 604542705 /nfs/dbraw/zinc/54/27/05/604542705.db2.gz HEARMRJPXZCEMS-UHFFFAOYSA-N -1 0 337.423 3.533 20 0 EHADRM CC(C)[C@H](C(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000833465474 604543596 /nfs/dbraw/zinc/54/35/96/604543596.db2.gz KYQOAWBFMYMEEX-SFHVURJKSA-N -1 0 345.370 3.667 20 0 EHADRM Cc1cc([C@H](C)OC(=O)Cc2c[nH]c3ccccc23)oc1C(=O)[O-] ZINC000832872518 604544844 /nfs/dbraw/zinc/54/48/44/604544844.db2.gz PPKWFIDVGRWYBC-NSHDSACASA-N -1 0 327.336 3.614 20 0 EHADRM COc1ccc(/C=C/C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC000832280524 604546333 /nfs/dbraw/zinc/54/63/33/604546333.db2.gz DANNKANQSKFSQP-UVMWJGKXSA-N -1 0 330.336 3.612 20 0 EHADRM CCOc1ccc(C2=CCN(c3ccc(C(=O)[O-])c(C)n3)CC2)cc1 ZINC000833664159 604548347 /nfs/dbraw/zinc/54/83/47/604548347.db2.gz POMSHPCCCYQTNK-UHFFFAOYSA-N -1 0 338.407 3.781 20 0 EHADRM CC(C)(C)OC(=O)C1CCC(Nc2ccc(CNC(=O)[O-])cc2)CC1 ZINC000833432456 604555337 /nfs/dbraw/zinc/55/53/37/604555337.db2.gz NCMUXKMSSDORSW-UHFFFAOYSA-N -1 0 348.443 3.767 20 0 EHADRM C[C@H](NC(=O)NCCc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000325026894 604556976 /nfs/dbraw/zinc/55/69/76/604556976.db2.gz HXRGUHUNLMQQKN-LBPRGKRZSA-N -1 0 346.814 3.641 20 0 EHADRM CC(C)(C)Oc1cccc(CN2CC[C@@H](C(=O)[O-])c3ccccc32)n1 ZINC000567368619 604564044 /nfs/dbraw/zinc/56/40/44/604564044.db2.gz COXFWCRCBWLESJ-MRXNPFEDSA-N -1 0 340.423 3.837 20 0 EHADRM C/C(=C\c1ccccc1Cl)C(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC000761864830 604565325 /nfs/dbraw/zinc/56/53/25/604565325.db2.gz IKAHPEZCUMNMGY-SIFUEBAJSA-N -1 0 347.773 3.825 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@@H]2CC(=O)[O-])c(C)n1C1CCCCC1 ZINC000263025516 604566604 /nfs/dbraw/zinc/56/66/04/604566604.db2.gz UKAOYYATZAUWHX-MRXNPFEDSA-N -1 0 332.444 3.689 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2ccc(-c3cnco3)cc2)oc1C(=O)[O-] ZINC000832874645 604570798 /nfs/dbraw/zinc/57/07/98/604570798.db2.gz KDQAIYQWSODKQY-LLVKDONJSA-N -1 0 341.319 3.859 20 0 EHADRM C[C@@H](C(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000262935972 604571796 /nfs/dbraw/zinc/57/17/96/604571796.db2.gz LRSRSGAITBZRRD-MWLCHTKSSA-N -1 0 330.211 3.563 20 0 EHADRM COc1cccc([C@H](C)C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)c1 ZINC000832528753 604572443 /nfs/dbraw/zinc/57/24/43/604572443.db2.gz PTTPOHCZAXEJHE-NWDGAFQWSA-N -1 0 332.352 3.703 20 0 EHADRM CCSc1ccc(C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)cn1 ZINC000830168407 604578087 /nfs/dbraw/zinc/57/80/87/604578087.db2.gz AGTVKWJLKFTISL-JTQLQIEISA-N -1 0 335.381 3.711 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2ccc(Cl)nc2Cl)oc1C(=O)[O-] ZINC000832877633 604578211 /nfs/dbraw/zinc/57/82/11/604578211.db2.gz ZOZCKDJEQLNOSM-ZETCQYMHSA-N -1 0 344.150 3.906 20 0 EHADRM C[C@@H]1CC[C@H](C)CN1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000833603408 604587860 /nfs/dbraw/zinc/58/78/60/604587860.db2.gz AYXNDQQMAWOAOO-VHSXEESVSA-N -1 0 342.342 3.639 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)C2(c3cccc(F)c3)CC2)oc1C(=O)[O-] ZINC000832875768 604588030 /nfs/dbraw/zinc/58/80/30/604588030.db2.gz OJZZLKVRITWTBN-LLVKDONJSA-N -1 0 332.327 3.761 20 0 EHADRM C[C@H](C(=O)OCc1c2ccccc2sc1C(=O)[O-])C1CCOCC1 ZINC000833409649 604593355 /nfs/dbraw/zinc/59/33/55/604593355.db2.gz PCDGHSFKTQFLPI-NSHDSACASA-N -1 0 348.420 3.705 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)[O-] ZINC000828728295 604598508 /nfs/dbraw/zinc/59/85/08/604598508.db2.gz JDHHATMXKLOPJP-YVEFUNNKSA-N -1 0 345.370 3.847 20 0 EHADRM C[C@H]1CCC[C@@H](NC(=O)Nc2cccc(SCCC(=O)[O-])c2)C1 ZINC000833607442 604602415 /nfs/dbraw/zinc/60/24/15/604602415.db2.gz FTTHTLGBRAAFQV-QWHCGFSZSA-N -1 0 336.457 3.954 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)c1cccc(OCC(F)(F)F)c1 ZINC000833160830 604627730 /nfs/dbraw/zinc/62/77/30/604627730.db2.gz XDBXMLPRZVOLCA-UHFFFAOYSA-N -1 0 339.269 3.578 20 0 EHADRM COc1cccc(CN2Cc3ccc(C(=O)[O-])cc3C2)c1OC(F)F ZINC000833735574 604637229 /nfs/dbraw/zinc/63/72/29/604637229.db2.gz OXKBIFIHQPPFOE-UHFFFAOYSA-N -1 0 349.333 3.511 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F ZINC000776616273 604643665 /nfs/dbraw/zinc/64/36/65/604643665.db2.gz GJKVEFWYFFQMCW-KPKJPENVSA-N -1 0 349.736 3.607 20 0 EHADRM COc1cc(C)c(CNc2ccc(N(C)C(=O)[O-])cc2)cc1OC ZINC000831962300 604646129 /nfs/dbraw/zinc/64/61/29/604646129.db2.gz YSDIQXFNKKYBEW-UHFFFAOYSA-N -1 0 330.384 3.739 20 0 EHADRM CCc1ccccc1C(=O)Nc1nc2nc(C)cc(C(=O)[O-])c2s1 ZINC000830276905 604655937 /nfs/dbraw/zinc/65/59/37/604655937.db2.gz ZGWWBLDYKXFHRG-UHFFFAOYSA-N -1 0 341.392 3.513 20 0 EHADRM O=C([O-])c1cccc(CC(=O)NCc2cccc(Cl)c2Cl)c1 ZINC000833765700 604682206 /nfs/dbraw/zinc/68/22/06/604682206.db2.gz IIUICMPOFBZBNM-UHFFFAOYSA-N -1 0 338.190 3.551 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccc(F)c(Cl)c1)c1ccc(F)cc1 ZINC000833349111 604694585 /nfs/dbraw/zinc/69/45/85/604694585.db2.gz BNGTVNZQVRMTQA-ZDUSSCGKSA-N -1 0 326.682 3.601 20 0 EHADRM CN(C(=O)c1ccc2c(c1)-c1ccccc1C2)C1(C(=O)[O-])CCCC1 ZINC000830533303 604726013 /nfs/dbraw/zinc/72/60/13/604726013.db2.gz NSMBABONPHMUSL-UHFFFAOYSA-N -1 0 335.403 3.727 20 0 EHADRM CC[C@@H](CC(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccccc1 ZINC000828770276 604732815 /nfs/dbraw/zinc/73/28/15/604732815.db2.gz HXUUVORLLMIQCM-LBPRGKRZSA-N -1 0 332.425 3.683 20 0 EHADRM CC[C@](C)(NC(=O)CCc1ccccc1C(=O)[O-])c1nc(C)cs1 ZINC000262095727 604759856 /nfs/dbraw/zinc/75/98/56/604759856.db2.gz DBQIBLIUMATEQU-SFHVURJKSA-N -1 0 346.452 3.524 20 0 EHADRM O=C([O-])Nc1ccc(Nc2nc(-c3cccnc3)nc3c2CCC3)cc1 ZINC000833288927 604773568 /nfs/dbraw/zinc/77/35/68/604773568.db2.gz BJHJFGYMOYHYMK-UHFFFAOYSA-N -1 0 347.378 3.861 20 0 EHADRM CC(C)(C)OC(=O)Cc1cccc(NCc2ccc(C(=O)[O-])cc2)c1 ZINC000833435064 604777465 /nfs/dbraw/zinc/77/74/65/604777465.db2.gz UXEQGRVIFSPNKR-UHFFFAOYSA-N -1 0 341.407 3.881 20 0 EHADRM C[C@@H](C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1)C1CCCC1 ZINC000825982415 604789295 /nfs/dbraw/zinc/78/92/95/604789295.db2.gz DTLJSZWJRYRRJN-CQSZACIVSA-N -1 0 344.455 3.614 20 0 EHADRM C[C@H](OC(=O)CN(C)C(=O)[O-])c1ccc(Cl)c(C(F)(F)F)c1 ZINC000833529817 604791051 /nfs/dbraw/zinc/79/10/51/604791051.db2.gz QVXRXFDIBSQZOS-ZETCQYMHSA-N -1 0 339.697 3.573 20 0 EHADRM C[C@@H](SCCc1cn(CC(=O)[O-])nn1)c1ccc(C(C)(C)C)cc1 ZINC000827908273 604802632 /nfs/dbraw/zinc/80/26/32/604802632.db2.gz IIPSKYDMNHXYAJ-CYBMUJFWSA-N -1 0 347.484 3.697 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1F ZINC000833156468 604804751 /nfs/dbraw/zinc/80/47/51/604804751.db2.gz MFANIYORWKVYJP-UHFFFAOYSA-N -1 0 342.370 3.767 20 0 EHADRM CC(C)C[C@@H](C)n1nccc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000833474916 604811868 /nfs/dbraw/zinc/81/18/68/604811868.db2.gz BAKMWKRBEIDBDP-CQSZACIVSA-N -1 0 343.427 3.760 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(N3CCCC3)c(F)c2)cc1F ZINC000833156245 604814091 /nfs/dbraw/zinc/81/40/91/604814091.db2.gz DNFOJNMRNZQQPW-UHFFFAOYSA-N -1 0 346.333 3.516 20 0 EHADRM CCC(CC)n1ccc(CNc2ccc(CN(C)C(=O)[O-])cc2)n1 ZINC000828870095 604815046 /nfs/dbraw/zinc/81/50/46/604815046.db2.gz LANRJPOXMUZTFU-UHFFFAOYSA-N -1 0 330.432 3.966 20 0 EHADRM Cc1ccccc1Sc1ccc(C(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000832981971 604817208 /nfs/dbraw/zinc/81/72/08/604817208.db2.gz RVIRRFLXQIWDTQ-MRXNPFEDSA-N -1 0 341.432 3.835 20 0 EHADRM CC(C)[C@@H](OC(=O)CCCNC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000826722170 604819804 /nfs/dbraw/zinc/81/98/04/604819804.db2.gz FPAGNQFMXLUMKI-CQSZACIVSA-N -1 0 347.333 3.994 20 0 EHADRM Cc1cc(C)cc(C[C@H](C)NC(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000832877165 604827213 /nfs/dbraw/zinc/82/72/13/604827213.db2.gz QXGODVUVFZZHSG-ZDUSSCGKSA-N -1 0 329.371 3.502 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC2CC(c3cccc(Cl)c3)C2)cc1F ZINC000833129558 604827426 /nfs/dbraw/zinc/82/74/26/604827426.db2.gz OFLODSPKYYOXKB-UHFFFAOYSA-N -1 0 347.773 3.853 20 0 EHADRM C/C(=C\c1cccc(Cl)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000761390111 604835401 /nfs/dbraw/zinc/83/54/01/604835401.db2.gz BGWBWSPNGDZVQH-RTGRKSDTSA-N -1 0 343.810 3.555 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@H]1CCCc2sccc21 ZINC000376528492 604837348 /nfs/dbraw/zinc/83/73/48/604837348.db2.gz QLFYQFIMUMFJIO-HNNXBMFYSA-N -1 0 329.421 3.525 20 0 EHADRM C[C@H]1CSc2ccccc2N1C(=O)CCc1ccccc1C(=O)[O-] ZINC000833633168 604838301 /nfs/dbraw/zinc/83/83/01/604838301.db2.gz URTVAVALHDCDJB-ZDUSSCGKSA-N -1 0 341.432 3.845 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)CCC2CCCCC2)cc1 ZINC000013427184 604842596 /nfs/dbraw/zinc/84/25/96/604842596.db2.gz ZCVPLMPSZOUHQA-QGZVFWFLSA-N -1 0 333.428 3.688 20 0 EHADRM C[C@@H](CC(=O)N1CCc2ccccc2[C@H]1C)C1CCN(C(=O)[O-])CC1 ZINC000824606362 604843962 /nfs/dbraw/zinc/84/39/62/604843962.db2.gz PREKVAKATNSVOK-LSDHHAIUSA-N -1 0 344.455 3.549 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)/C=C/c2cccc(F)c2)cc1Cl ZINC000237961451 604847145 /nfs/dbraw/zinc/84/71/45/604847145.db2.gz PUZMHIKOPVCURO-QPJJXVBHSA-N -1 0 349.745 3.594 20 0 EHADRM CC(=O)C(C)(C)CCC(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000833387603 604854099 /nfs/dbraw/zinc/85/40/99/604854099.db2.gz IHEYIYUBJFQCCA-UHFFFAOYSA-N -1 0 327.380 3.872 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)C1(C)C ZINC000669436411 604856733 /nfs/dbraw/zinc/85/67/33/604856733.db2.gz OVWYDNNVWVDSHD-UXLLHSPISA-N -1 0 327.424 3.830 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=S)Nc2ccc(Cl)cc2)C1 ZINC000833416561 604858570 /nfs/dbraw/zinc/85/85/70/604858570.db2.gz AMUWICWQUHXHQW-LLVKDONJSA-N -1 0 340.876 3.860 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=S)Nc2cccc(Cl)c2)C1 ZINC000833417322 604858768 /nfs/dbraw/zinc/85/87/68/604858768.db2.gz PJLSJYKBOGWAFV-NSHDSACASA-N -1 0 340.876 3.860 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(c2ncnc3sc4c(c32)CCC4)C1 ZINC000649405956 604872687 /nfs/dbraw/zinc/87/26/87/604872687.db2.gz WFJKPGVIZJEKEK-NSHDSACASA-N -1 0 345.468 3.507 20 0 EHADRM CC1=C(C(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)(F)F)CCC1 ZINC000621553746 604876037 /nfs/dbraw/zinc/87/60/37/604876037.db2.gz JJSAAKXNBGFOLL-UHFFFAOYSA-N -1 0 343.301 3.765 20 0 EHADRM C[C@H](C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1)c1cccc(F)c1 ZINC000833411100 604877286 /nfs/dbraw/zinc/87/72/86/604877286.db2.gz LSUKJMJWXQRSGY-QMMMGPOBSA-N -1 0 334.372 3.600 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000317147832 604885408 /nfs/dbraw/zinc/88/54/08/604885408.db2.gz PNJJBGMMRXQIOQ-LLVKDONJSA-N -1 0 344.238 3.956 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCSc1ccccc1F)c1ccccc1 ZINC000238110994 604886590 /nfs/dbraw/zinc/88/65/90/604886590.db2.gz NYDVHYUFFPOVDU-OAHLLOKOSA-N -1 0 347.411 3.640 20 0 EHADRM CC(C)C[C@H](OC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccccn1 ZINC000826818547 604886934 /nfs/dbraw/zinc/88/69/34/604886934.db2.gz AZVTVRZZUIZGIU-INIZCTEOSA-N -1 0 331.343 3.863 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000325370625 604888059 /nfs/dbraw/zinc/88/80/59/604888059.db2.gz PHLPQTWDUPSCIK-JHJVBQTASA-N -1 0 349.393 3.705 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000325370627 604888145 /nfs/dbraw/zinc/88/81/45/604888145.db2.gz PHLPQTWDUPSCIK-YNEHKIRRSA-N -1 0 349.393 3.705 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)[C@@H]1CCCc2sccc21 ZINC000431798643 604888243 /nfs/dbraw/zinc/88/82/43/604888243.db2.gz IEIACIIUGDAFRC-RBSFLKMASA-N -1 0 335.469 3.708 20 0 EHADRM C[C@@]1(NC(=O)c2ccc(SC(F)F)cc2)CCCC[C@H]1C(=O)[O-] ZINC000262920835 604889256 /nfs/dbraw/zinc/88/92/56/604889256.db2.gz ZIHWWEWXFYGLMI-BLLLJJGKSA-N -1 0 343.395 3.765 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)[C@]2(C)CCCc3ccccc32)C1 ZINC000679103552 604890417 /nfs/dbraw/zinc/89/04/17/604890417.db2.gz WRXDEDAIQBBKCW-HRAATJIYSA-N -1 0 343.467 3.630 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cc3ccccc3s2)C1 ZINC000321966652 604892874 /nfs/dbraw/zinc/89/28/74/604892874.db2.gz AOHRHAOCZGHAEF-ZDUSSCGKSA-N -1 0 331.437 3.864 20 0 EHADRM C[C@@H](CC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccccc1F ZINC000679101806 604894388 /nfs/dbraw/zinc/89/43/88/604894388.db2.gz OGZCERQYZMRZSX-UONOGXRCSA-N -1 0 335.419 3.669 20 0 EHADRM O=C([O-])c1cncc(NC(=O)c2ccccc2CCc2ccccc2)c1 ZINC000833340773 604900546 /nfs/dbraw/zinc/90/05/46/604900546.db2.gz AYNGKQVPBAZEHU-UHFFFAOYSA-N -1 0 346.386 3.817 20 0 EHADRM CCc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)s1 ZINC000776672045 604901846 /nfs/dbraw/zinc/90/18/46/604901846.db2.gz KXIIVUKQVMMLNR-UHFFFAOYSA-N -1 0 339.800 3.680 20 0 EHADRM CCC1(CNC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)CCC1 ZINC000829065495 604915846 /nfs/dbraw/zinc/91/58/46/604915846.db2.gz KTGCHORUOCPTNU-UHFFFAOYSA-N -1 0 340.807 3.505 20 0 EHADRM C[C@H](CC(=O)N1CCCC[C@H]1c1ccco1)C1CCN(C(=O)[O-])CC1 ZINC000824580794 604921500 /nfs/dbraw/zinc/92/15/00/604921500.db2.gz JHMHWEKKXDCLKK-ZBFHGGJFSA-N -1 0 348.443 3.749 20 0 EHADRM CC(C)C[C@@H]1CCCN(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)C1 ZINC000833484621 604923641 /nfs/dbraw/zinc/92/36/41/604923641.db2.gz YCNJMIKOABJVGN-LBPRGKRZSA-N -1 0 344.415 3.551 20 0 EHADRM Cc1nn(Cc2ncc(-c3ccccc3C)o2)c(C)c1[C@@H](C)C(=O)[O-] ZINC000833753146 604926893 /nfs/dbraw/zinc/92/68/93/604926893.db2.gz LIPMNKSQXBYSSV-GFCCVEGCSA-N -1 0 339.395 3.700 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1cc(C(C)C)c(O)cc1C ZINC000833746489 604936511 /nfs/dbraw/zinc/93/65/11/604936511.db2.gz ATELIPOYEKSQFL-UHFFFAOYSA-N -1 0 330.384 3.719 20 0 EHADRM C[C@H](C(=O)N(CCCC(=O)[O-])Cc1ccccc1)c1cccs1 ZINC000237403132 604936891 /nfs/dbraw/zinc/93/68/91/604936891.db2.gz WDZUDBQKNGZJIZ-AWEZNQCLSA-N -1 0 331.437 3.745 20 0 EHADRM CC(C)(C)C(=O)Nc1cc(Br)cc(C(=O)[O-])c1Cl ZINC000833421962 604944696 /nfs/dbraw/zinc/94/46/96/604944696.db2.gz ONRWXOLHUUOFBA-UHFFFAOYSA-N -1 0 334.597 3.785 20 0 EHADRM C[C@]1(NC(=O)/C=C\c2ccc(Cl)s2)CCCC[C@H]1C(=O)[O-] ZINC000762230972 604954606 /nfs/dbraw/zinc/95/46/06/604954606.db2.gz NCVDPYUHUDLVRD-LZQBWUHFSA-N -1 0 327.833 3.564 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N1Cc2ccccc2C(F)(F)C1 ZINC000833290579 604959286 /nfs/dbraw/zinc/95/92/86/604959286.db2.gz XGWDMAXRSVPWFU-UHFFFAOYSA-N -1 0 332.306 3.524 20 0 EHADRM CN(CCC1CCCCC1)C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000830752026 604975726 /nfs/dbraw/zinc/97/57/26/604975726.db2.gz NFMDCFOPOICQJB-UHFFFAOYSA-N -1 0 339.461 3.594 20 0 EHADRM CC(C)[C@@H](OC(=O)[C@H](C)NC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000833471266 604983839 /nfs/dbraw/zinc/98/38/39/604983839.db2.gz FSVSMTPSODZAPO-JOYOIKCWSA-N -1 0 333.306 3.602 20 0 EHADRM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000833617220 605009191 /nfs/dbraw/zinc/00/91/91/605009191.db2.gz OYPURSMNIFOTQQ-APPDUMDISA-N -1 0 327.355 3.577 20 0 EHADRM O=C([O-])c1ccc(OC(=O)c2ccc3c(n2)CCCC3)c(Cl)c1 ZINC000833781863 605009408 /nfs/dbraw/zinc/00/94/08/605009408.db2.gz IUXBGGPLEVFYJB-UHFFFAOYSA-N -1 0 331.755 3.531 20 0 EHADRM Cc1scc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c1C ZINC000828138886 605013603 /nfs/dbraw/zinc/01/36/03/605013603.db2.gz PFJSNKPQSNOPSB-AWEZNQCLSA-N -1 0 337.828 3.964 20 0 EHADRM CCC[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)C(C)C ZINC000621565254 605039265 /nfs/dbraw/zinc/03/92/65/605039265.db2.gz LMEGJSXEDGDORN-LLVKDONJSA-N -1 0 329.343 3.997 20 0 EHADRM C[C@H](CC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1F ZINC000190918552 605053533 /nfs/dbraw/zinc/05/35/33/605053533.db2.gz MDCVTAVNBMIDRV-GFCCVEGCSA-N -1 0 347.361 3.815 20 0 EHADRM C[C@H](C(=O)OCc1ccccc1CC(=O)[O-])c1cccc(Cl)c1 ZINC000833409221 605056044 /nfs/dbraw/zinc/05/60/44/605056044.db2.gz JDYJQYHFABWEAS-LBPRGKRZSA-N -1 0 332.783 3.814 20 0 EHADRM C[C@@H](OC(=O)C1CCC(C(=O)[O-])CC1)c1ccc(OC(F)F)cc1 ZINC000833528468 605073805 /nfs/dbraw/zinc/07/38/05/605073805.db2.gz OUNWLZCZECIHMP-QFWMXSHPSA-N -1 0 342.338 3.783 20 0 EHADRM CCC(CC)(CNC(=O)N1CC[C@@H]1c1ccc(Cl)cc1)C(=O)[O-] ZINC000424437334 605096320 /nfs/dbraw/zinc/09/63/20/605096320.db2.gz YRLWAPYMFPGVMO-CQSZACIVSA-N -1 0 338.835 3.687 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCCc2c(Cl)ccc(F)c21 ZINC000833451843 605108018 /nfs/dbraw/zinc/10/80/18/605108018.db2.gz OOXYCNBLPGWZCO-UHFFFAOYSA-N -1 0 327.783 3.649 20 0 EHADRM C[C@@H](OC(=O)CCSCC(=O)[O-])c1cc(Cl)ccc1Cl ZINC000833528418 605116438 /nfs/dbraw/zinc/11/64/38/605116438.db2.gz JFCFYBPUWVTLPD-MRVPVSSYSA-N -1 0 337.224 3.806 20 0 EHADRM COc1ccc(OC(=O)C2CCC(C(=O)[O-])CC2)c2ccccc12 ZINC000833733425 605120520 /nfs/dbraw/zinc/12/05/20/605120520.db2.gz HQVBHYBJKMWZAN-UHFFFAOYSA-N -1 0 328.364 3.645 20 0 EHADRM CN(C(=O)[O-])c1ccc(NCc2ncccc2C(F)(F)F)cc1 ZINC000833685424 605127236 /nfs/dbraw/zinc/12/72/36/605127236.db2.gz MMVOGXOEFQZJHZ-UHFFFAOYSA-N -1 0 325.290 3.827 20 0 EHADRM C[C@@H]1CCCCN1C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000132482428 605127766 /nfs/dbraw/zinc/12/77/66/605127766.db2.gz LXGZWXJKVSYTFT-SECBINFHSA-N -1 0 341.205 3.554 20 0 EHADRM CCC(CC)n1nc(C(=O)Nc2ccc(C)cc2C(=O)[O-])cc1C ZINC000431991751 605136259 /nfs/dbraw/zinc/13/62/59/605136259.db2.gz MCXDWGLZLFVTDE-UHFFFAOYSA-N -1 0 329.400 3.812 20 0 EHADRM COCCN(CC(C)C)C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC000833723711 605137173 /nfs/dbraw/zinc/13/71/73/605137173.db2.gz TVLGBAXCVWQXFA-UHFFFAOYSA-N -1 0 336.432 3.645 20 0 EHADRM CC(C)CCC[S@@](=O)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833481383 605147997 /nfs/dbraw/zinc/14/79/97/605147997.db2.gz SSNFPDIRLOUMFE-HSZRJFAPSA-N -1 0 335.425 3.725 20 0 EHADRM C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000833593664 605148724 /nfs/dbraw/zinc/14/87/24/605148724.db2.gz UEEOXUQUZOXJPD-ONGXEEELSA-N -1 0 337.441 3.688 20 0 EHADRM CC(C)(C)C[C@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)[O-] ZINC000833429308 605149243 /nfs/dbraw/zinc/14/92/43/605149243.db2.gz JJXSHWPQGRJTDK-ZDUSSCGKSA-N -1 0 346.456 3.657 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)Nc2cc(C(=O)[O-])c(F)cc2Br)C1 ZINC000833602498 605150066 /nfs/dbraw/zinc/15/00/66/605150066.db2.gz QSPRSSKEXCROIX-JGVFFNPUSA-N -1 0 344.180 3.661 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(C(=O)[O-])c2)c1C(C)C ZINC000431647404 605154061 /nfs/dbraw/zinc/15/40/61/605154061.db2.gz IKMCUFOJSKRGOX-UHFFFAOYSA-N -1 0 328.368 3.600 20 0 EHADRM Cc1c(C(=O)[O-])csc1NC(=O)c1ncoc1-c1ccccc1 ZINC000833741289 605160288 /nfs/dbraw/zinc/16/02/88/605160288.db2.gz GKVCFWWNXWBRFE-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM CCC(CC)n1nc(C(=O)OCc2ccccc2CC(=O)[O-])cc1C ZINC000833642008 605165668 /nfs/dbraw/zinc/16/56/68/605165668.db2.gz VUZOPUIRODRDRA-UHFFFAOYSA-N -1 0 344.411 3.537 20 0 EHADRM C[C@@H]1CCC[C@H](OCCCCCC(=O)N2CCCC[C@@H]2C(=O)[O-])C1 ZINC000833608130 605166704 /nfs/dbraw/zinc/16/67/04/605166704.db2.gz MHVXCFHQBIDZCW-IXDOHACOSA-N -1 0 339.476 3.608 20 0 EHADRM CC(C)(NCc1cc(C(=O)[O-])co1)c1ccccc1Br ZINC000833461438 605172588 /nfs/dbraw/zinc/17/25/88/605172588.db2.gz WVNLQDLAAQSJSN-UHFFFAOYSA-N -1 0 338.201 3.765 20 0 EHADRM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC000833599040 605172906 /nfs/dbraw/zinc/17/29/06/605172906.db2.gz VSCGDGJYGLVXKQ-BDJLRTHQSA-N -1 0 343.358 3.534 20 0 EHADRM CCc1nc(NC(=O)/C=C/c2ccc3[nH]ccc3c2)sc1C(=O)[O-] ZINC000833676708 605174449 /nfs/dbraw/zinc/17/44/49/605174449.db2.gz TYWFUYSHHOGKFH-GQCTYLIASA-N -1 0 341.392 3.537 20 0 EHADRM CC(C)(C)CN(Cc1ccccc1)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000833430197 605174603 /nfs/dbraw/zinc/17/46/03/605174603.db2.gz ITXGCBXYUSPMCJ-UHFFFAOYSA-N -1 0 341.411 3.860 20 0 EHADRM CCC(CC)n1nccc1-c1nc([C@@H](CC(C)C)NC(=O)[O-])no1 ZINC000826575501 605179116 /nfs/dbraw/zinc/17/91/16/605179116.db2.gz JNNTXIHXNUWBNC-GFCCVEGCSA-N -1 0 335.408 3.649 20 0 EHADRM CC(C)C[C@@H](OC(=O)C[C@H](C)C(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000833480934 605229788 /nfs/dbraw/zinc/22/97/88/605229788.db2.gz RTKQMHIKZJUCCZ-SMDDNHRTSA-N -1 0 340.803 3.591 20 0 EHADRM CC[C@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccc(OC)cc1 ZINC000192876508 605230898 /nfs/dbraw/zinc/23/08/98/605230898.db2.gz ZNSYWSRFXROLPH-SFHVURJKSA-N -1 0 341.407 3.546 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000431223141 605230983 /nfs/dbraw/zinc/23/09/83/605230983.db2.gz ZJJSMOIWJVPZPI-INIZCTEOSA-N -1 0 339.435 3.703 20 0 EHADRM CC1=C(C(=O)[O-])C[C@@H](CSc2nnc(-c3ccc(C)c(C)c3)o2)O1 ZINC000833582077 605233175 /nfs/dbraw/zinc/23/31/75/605233175.db2.gz RSPMGVGJIDJULD-ZDUSSCGKSA-N -1 0 346.408 3.593 20 0 EHADRM CC(C)(Cc1ccccc1Cl)NC(=O)Cc1ccccc1C(=O)[O-] ZINC000262234889 605243619 /nfs/dbraw/zinc/24/36/19/605243619.db2.gz SXEDNGIJXVRZIZ-UHFFFAOYSA-N -1 0 345.826 3.718 20 0 EHADRM O=C([O-])N1CCC(CNc2cccc(OCc3cscn3)c2)CC1 ZINC000831889380 605252149 /nfs/dbraw/zinc/25/21/49/605252149.db2.gz XCTFGMOOEIBKHK-UHFFFAOYSA-N -1 0 347.440 3.524 20 0 EHADRM C[C@@H]1CSC(S[C@H](Cc2ccc(C(F)(F)F)cc2)C(=O)[O-])=N1 ZINC000833631980 605263290 /nfs/dbraw/zinc/26/32/90/605263290.db2.gz SBFZRIBZTBVURF-LDYMZIIASA-N -1 0 349.399 3.926 20 0 EHADRM COc1cc(NC(=O)c2ccc(F)c(Cl)c2)ccc1NC(=O)[O-] ZINC000829197720 605267819 /nfs/dbraw/zinc/26/78/19/605267819.db2.gz ISMHAECUIVKBDQ-UHFFFAOYSA-N -1 0 338.722 3.830 20 0 EHADRM C[C@H](COc1ccccc1)NC(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833517378 605281940 /nfs/dbraw/zinc/28/19/40/605281940.db2.gz AGUMYIHRNSZNOT-LLVKDONJSA-N -1 0 347.346 3.505 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)C(F)(F)F ZINC000833426088 605294504 /nfs/dbraw/zinc/29/45/04/605294504.db2.gz ZRVVMYGHTMWKSZ-LLVKDONJSA-N -1 0 335.297 3.621 20 0 EHADRM COCc1cccc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)c1 ZINC000191471942 605303666 /nfs/dbraw/zinc/30/36/66/605303666.db2.gz RAHLVCPCEFKBHR-IBGZPJMESA-N -1 0 349.386 3.542 20 0 EHADRM C[C@H](Cc1noc(-c2cccc(Cl)c2Cl)n1)N(C)C(=O)[O-] ZINC000825036349 605308791 /nfs/dbraw/zinc/30/87/91/605308791.db2.gz MVPICWGKDAPTFE-SSDOTTSWSA-N -1 0 330.171 3.584 20 0 EHADRM Cc1cc(NC(=O)c2cccc(NC(=O)[O-])c2)nn1[C@@H](C)C1CC1 ZINC000833900448 605342182 /nfs/dbraw/zinc/34/21/82/605342182.db2.gz KSZARWUSBOLSMC-NSHDSACASA-N -1 0 328.372 3.505 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N3CC[C@H](NC(=O)[O-])C[C@H]3C)[nH]c2c1 ZINC000824469486 605362805 /nfs/dbraw/zinc/36/28/05/605362805.db2.gz ARVPQFNCOCJEOD-DOMZBBRYSA-N -1 0 343.427 3.552 20 0 EHADRM C[C@@]1(NC(=O)c2ccc(-c3ccccc3)o2)CCCC[C@@H]1C(=O)[O-] ZINC000833567431 605366615 /nfs/dbraw/zinc/36/66/15/605366615.db2.gz LWAWCFGJBVFVIG-AUUYWEPGSA-N -1 0 327.380 3.710 20 0 EHADRM CCc1cnccc1[C@H](C)N[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833675514 605392088 /nfs/dbraw/zinc/39/20/88/605392088.db2.gz ZBWRCHMRVQHRLN-MGPLVRAMSA-N -1 0 336.794 3.913 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)Nc1ccnc(Cl)c1)c1ccccc1 ZINC000833411475 605399408 /nfs/dbraw/zinc/39/94/08/605399408.db2.gz CFYSHQCYWBRIOZ-AWEZNQCLSA-N -1 0 347.802 3.709 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000192845223 605416737 /nfs/dbraw/zinc/41/67/37/605416737.db2.gz PEOUVQXNGHISRA-YJBOKZPZSA-N -1 0 325.408 3.506 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000833383742 605419635 /nfs/dbraw/zinc/41/96/35/605419635.db2.gz NOWZNMGVUXEDAD-VSKPTYQZSA-N -1 0 329.421 3.792 20 0 EHADRM CC(C)(C)Sc1cc(C(=O)OCc2ccoc2C(=O)[O-])ccn1 ZINC000833448134 605458414 /nfs/dbraw/zinc/45/84/14/605458414.db2.gz KZGJICYFUZBXCU-UHFFFAOYSA-N -1 0 335.381 3.620 20 0 EHADRM C[C@H](C(=O)N(C)c1ccc(OCC(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000833402475 605461944 /nfs/dbraw/zinc/46/19/44/605461944.db2.gz NIHITMBLPMMAKW-LBPRGKRZSA-N -1 0 347.798 3.570 20 0 EHADRM CC(C)(C)Oc1ccccc1NC(=O)CC[C@@H]1CCN(C(=O)[O-])C1 ZINC000833790848 605471610 /nfs/dbraw/zinc/47/16/10/605471610.db2.gz OZIJKKSQCYCMIP-CYBMUJFWSA-N -1 0 334.416 3.583 20 0 EHADRM C[C@@H](CSCc1ccccc1)c1nc(C[C@@H](C)N(C)C(=O)[O-])no1 ZINC000825015597 605475748 /nfs/dbraw/zinc/47/57/48/605475748.db2.gz HPHXAQZABXMFDI-QWHCGFSZSA-N -1 0 349.456 3.647 20 0 EHADRM O=C([O-])Nc1ccc(CN2CCn3cccc3[C@@H]2c2ccccc2)cn1 ZINC000834260345 605501772 /nfs/dbraw/zinc/50/17/72/605501772.db2.gz QBROSMMQXFYAFK-IBGZPJMESA-N -1 0 348.406 3.578 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)N1CC[C@@H](NC(=O)[O-])C[C@@H]1C)C(C)C ZINC000830553159 605530978 /nfs/dbraw/zinc/53/09/78/605530978.db2.gz FTVHHXBSCZYMIV-ZMSDIMECSA-N -1 0 347.459 3.522 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N2CCc3cc(F)ccc3C2)c1 ZINC000834261315 605536001 /nfs/dbraw/zinc/53/60/01/605536001.db2.gz KKKQRZAHKNHZIR-UHFFFAOYSA-N -1 0 347.321 3.645 20 0 EHADRM COc1ccc(CN(C)C(=O)c2ccc(NC(=O)[O-])c(C)c2)cc1F ZINC000829361539 605580569 /nfs/dbraw/zinc/58/05/69/605580569.db2.gz FPNSUYFYRXBJLC-UHFFFAOYSA-N -1 0 346.358 3.505 20 0 EHADRM CN(Cc1ccc(NC(=O)[O-])nc1)[C@H](c1ccccc1)C(F)(F)F ZINC000833874291 605586176 /nfs/dbraw/zinc/58/61/76/605586176.db2.gz GUXIMUCZESCFRQ-CQSZACIVSA-N -1 0 339.317 3.907 20 0 EHADRM O=C([O-])Nc1cccc(CN2CCCC[C@@H]2c2noc(C3CC3)n2)c1 ZINC000834267842 605593964 /nfs/dbraw/zinc/59/39/64/605593964.db2.gz CCZGKVDXQAAOTB-OAHLLOKOSA-N -1 0 342.399 3.764 20 0 EHADRM O=C([O-])N(CC(=O)N[C@H](c1cccs1)C1CC1)c1ccccc1 ZINC000831447098 605604052 /nfs/dbraw/zinc/60/40/52/605604052.db2.gz ZIKRABGJGJOSFF-INIZCTEOSA-N -1 0 330.409 3.500 20 0 EHADRM CCOCc1ccc(CNC(=O)c2ccc(NC(=O)[O-])c(C)c2)cc1 ZINC000827409182 605606942 /nfs/dbraw/zinc/60/69/42/605606942.db2.gz MYDRTVPASNALLW-UHFFFAOYSA-N -1 0 342.395 3.551 20 0 EHADRM CC[C@H](C)[C@@H](C)C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000833639007 605618234 /nfs/dbraw/zinc/61/82/34/605618234.db2.gz QDAGXAUMKYIZCC-JGVFFNPUSA-N -1 0 346.196 3.907 20 0 EHADRM O=C([O-])Nc1cccc(-c2noc(CSCC(F)(F)F)n2)c1 ZINC000834261861 605625679 /nfs/dbraw/zinc/62/56/79/605625679.db2.gz GAPMYLQIFLOZBH-UHFFFAOYSA-N -1 0 333.291 3.622 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CC[C@@H]2c2ccc(Cl)cc2)c(O)c1 ZINC000834258821 605654110 /nfs/dbraw/zinc/65/41/10/605654110.db2.gz SHTMNXIBZXSANS-CQSZACIVSA-N -1 0 346.770 3.723 20 0 EHADRM Cc1ncc(-c2ccc(N[C@@H](C)[C@H]3CCCN(C(=O)[O-])C3)cc2)o1 ZINC000833915988 605658365 /nfs/dbraw/zinc/65/83/65/605658365.db2.gz SREOFVYBZYKIPE-WFASDCNBSA-N -1 0 329.400 3.840 20 0 EHADRM O=C([O-])N1CCC[C@H](NC(=O)Nc2cc(C(F)F)ccc2Cl)C1 ZINC000831752217 605677652 /nfs/dbraw/zinc/67/76/52/605677652.db2.gz HUPYUISKUAFXCD-VIFPVBQESA-N -1 0 347.749 3.542 20 0 EHADRM O=C([O-])NC1CCC(Nc2ccccc2OC[C@H]2CCCCO2)CC1 ZINC000834166060 605698032 /nfs/dbraw/zinc/69/80/32/605698032.db2.gz CPFGRYFIPKEVPL-UYSNPLJNSA-N -1 0 348.443 3.625 20 0 EHADRM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccccc1C(=O)[O-] ZINC000820228900 605714394 /nfs/dbraw/zinc/71/43/94/605714394.db2.gz WYYZDEFPVFDPDT-ZJUUUORDSA-N -1 0 330.306 3.580 20 0 EHADRM COc1ccc(NC(=O)N2CC[C@H](C)C3(CCC3)C2)cc1NC(=O)[O-] ZINC000833888976 605750649 /nfs/dbraw/zinc/75/06/49/605750649.db2.gz JWLCCCGQUUUPGD-LBPRGKRZSA-N -1 0 347.415 3.829 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)c1ccc([C@@H]2CCCOC2)cc1 ZINC000834276084 605752730 /nfs/dbraw/zinc/75/27/30/605752730.db2.gz XQZURWGLMUKMFV-OAHLLOKOSA-N -1 0 340.379 3.923 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000834266168 605757587 /nfs/dbraw/zinc/75/75/87/605757587.db2.gz WHZRLAYXYRWOKI-KRWDZBQOSA-N -1 0 342.370 3.822 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N(Cc2cccs2)C2CC2)c1 ZINC000834264853 605759091 /nfs/dbraw/zinc/75/90/91/605759091.db2.gz OCDXQXBVNFWOHO-UHFFFAOYSA-N -1 0 330.409 3.572 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)Nc1scnc1C1CC1 ZINC000834056253 605765569 /nfs/dbraw/zinc/76/55/69/605765569.db2.gz MVXSKOPZANZQJH-UHFFFAOYSA-N -1 0 344.396 3.705 20 0 EHADRM CC1(C)CN(C(=O)c2cccc(NC(=O)[O-])c2)c2ccccc2O1 ZINC000825733948 605805597 /nfs/dbraw/zinc/80/55/97/605805597.db2.gz IWTUCIACGHARHX-UHFFFAOYSA-N -1 0 326.352 3.594 20 0 EHADRM O=C([O-])N[C@@H]1C[C@@H](Nc2ccc(N3CCCC3)nc2)c2ccccc21 ZINC000834159381 605811356 /nfs/dbraw/zinc/81/13/56/605811356.db2.gz SRUVFEWRIPBTHF-IAGOWNOFSA-N -1 0 338.411 3.547 20 0 EHADRM CN(C(=O)CC1(NC(=O)[O-])CCC1)c1c(Cl)cccc1Cl ZINC000833869464 605814209 /nfs/dbraw/zinc/81/42/09/605814209.db2.gz OOVMBNODJNCBCI-UHFFFAOYSA-N -1 0 331.199 3.537 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2cc(C(F)(F)F)ccn2)ccc1F ZINC000834257661 605815837 /nfs/dbraw/zinc/81/58/37/605815837.db2.gz XMFNTYYLXXVVJF-UHFFFAOYSA-N -1 0 343.236 3.582 20 0 EHADRM O=C([O-])c1ccc(F)c(COC(=O)c2cccc(Cl)c2F)c1 ZINC000833780692 605818483 /nfs/dbraw/zinc/81/84/83/605818483.db2.gz AKEMYJUOFDNPKF-UHFFFAOYSA-N -1 0 326.682 3.673 20 0 EHADRM C[C@H](C(=O)OCc1cc(C(=O)[O-])ccc1F)c1c(F)cccc1F ZINC000833408569 605819973 /nfs/dbraw/zinc/81/99/73/605819973.db2.gz CYUQOROKIYQCFF-VIFPVBQESA-N -1 0 338.281 3.649 20 0 EHADRM O=C([O-])NC1CCC(C(=O)N2CCC[C@@H]2/C=C/c2ccccc2)CC1 ZINC000834162760 605821262 /nfs/dbraw/zinc/82/12/62/605821262.db2.gz GWGSMQIPRSIKPN-CZQOEGHASA-N -1 0 342.439 3.517 20 0 EHADRM CCCN(C(=O)c1ccc(Cl)cc1C)C1CCN(C(=O)[O-])CC1 ZINC000826884501 605825701 /nfs/dbraw/zinc/82/57/01/605825701.db2.gz QCNOFAOHJYIGCV-UHFFFAOYSA-N -1 0 338.835 3.643 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CN(C(=O)NCCCCCC(=O)[O-])CC2 ZINC000414630876 605854952 /nfs/dbraw/zinc/85/49/52/605854952.db2.gz UZHUPPGJUDVXKN-UHFFFAOYSA-N -1 0 346.471 3.697 20 0 EHADRM CC(C)CNc1nnc(SCc2cc(C(=O)[O-])ccc2F)s1 ZINC000833488412 605859086 /nfs/dbraw/zinc/85/90/86/605859086.db2.gz FWEHDDYVKWIXAM-UHFFFAOYSA-N -1 0 341.433 3.736 20 0 EHADRM Cc1nc2cc(NC(=O)c3ccc(CNC(=O)[O-])cc3)ccc2s1 ZINC000833916386 605861418 /nfs/dbraw/zinc/86/14/18/605861418.db2.gz KUYRFTUDKMXGGF-UHFFFAOYSA-N -1 0 341.392 3.625 20 0 EHADRM Cc1nscc1C(=O)Nc1cc(C(F)(F)F)ccc1NC(=O)[O-] ZINC000833934479 605864430 /nfs/dbraw/zinc/86/44/30/605864430.db2.gz AOVYLAAGLGOVQK-UHFFFAOYSA-N -1 0 345.302 3.813 20 0 EHADRM CS[C@@H]1CCCCN(C(=O)Nc2cc(NC(=O)[O-])ccc2F)C1 ZINC000829716852 605891027 /nfs/dbraw/zinc/89/10/27/605891027.db2.gz PXCUMQZDUDQABI-LLVKDONJSA-N -1 0 341.408 3.665 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)ccc1NC(=O)[O-] ZINC000829961828 605896892 /nfs/dbraw/zinc/89/68/92/605896892.db2.gz NHFIYDANFUYYLF-UHFFFAOYSA-N -1 0 336.351 3.727 20 0 EHADRM CN(CC(C)(C)CNC(=O)[O-])C(=O)Nc1cccc2ccsc21 ZINC000833869734 605940633 /nfs/dbraw/zinc/94/06/33/605940633.db2.gz AXRLJDSDUVLDHJ-UHFFFAOYSA-N -1 0 335.429 3.659 20 0 EHADRM O=C([O-])N1CCCCC[C@H]1c1noc(-c2ccnc(C3CC3)c2)n1 ZINC000834110423 605997041 /nfs/dbraw/zinc/99/70/41/605997041.db2.gz XNTWJHXFLHPGNZ-AWEZNQCLSA-N -1 0 328.372 3.604 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N2CCC(c3ccccn3)CC2)cc1 ZINC000834263783 606008894 /nfs/dbraw/zinc/00/88/94/606008894.db2.gz YCQSKPPQKLDIPQ-UHFFFAOYSA-N -1 0 340.383 3.583 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000834273270 606041440 /nfs/dbraw/zinc/04/14/40/606041440.db2.gz KICYYSQNVBSOKX-UHFFFAOYSA-N -1 0 336.294 3.559 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N1CCSC2(CCCCC2)C1 ZINC000834271678 606067963 /nfs/dbraw/zinc/06/79/63/606067963.db2.gz KDIGEVQCWDLHJT-UHFFFAOYSA-N -1 0 348.468 3.597 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)OCc1ccc(Cl)s1 ZINC000834274204 606089596 /nfs/dbraw/zinc/08/95/96/606089596.db2.gz GAKMXCMGKDIXPG-UHFFFAOYSA-N -1 0 325.773 3.777 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)OCc1cnc2ccccc2c1 ZINC000834275324 606093650 /nfs/dbraw/zinc/09/36/50/606093650.db2.gz YKIBFAXGRZSVAM-UHFFFAOYSA-N -1 0 336.347 3.611 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc2cc[nH]c2c1)c1ccc2ccccc2c1 ZINC000191478234 939037411 /nfs/dbraw/zinc/03/74/11/939037411.db2.gz PYOQPJUSAICRLC-IBGZPJMESA-N -1 0 344.370 3.877 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000237389448 939046446 /nfs/dbraw/zinc/04/64/46/939046446.db2.gz ACACMMIZIQOKSA-IAQYHMDHSA-N -1 0 349.839 3.763 20 0 EHADRM CCSc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000684750300 939052509 /nfs/dbraw/zinc/05/25/09/939052509.db2.gz XKEWMBPBVLRZMA-HNNXBMFYSA-N -1 0 348.399 3.885 20 0 EHADRM O=C([O-])[C@H](NC(=O)CCc1ccc(-c2ccccc2)o1)c1ccccc1 ZINC000238013929 939054629 /nfs/dbraw/zinc/05/46/29/939054629.db2.gz WVOBIGWVVSRSMC-HXUWFJFHSA-N -1 0 349.386 3.821 20 0 EHADRM O=C([O-])[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000238019493 939055263 /nfs/dbraw/zinc/05/52/63/939055263.db2.gz MUQIBRYWGYJJCH-OAQYLSRUSA-N -1 0 345.398 3.838 20 0 EHADRM CC[C@](NC(=O)[C@H]1C[C@@H]1c1sccc1C)(C(=O)[O-])c1ccccc1 ZINC000262072622 939059402 /nfs/dbraw/zinc/05/94/02/939059402.db2.gz DDWYFNVUMDRTAT-YZVOILCLSA-N -1 0 343.448 3.666 20 0 EHADRM O=C([O-])C1(NC(=O)c2ccc(-c3ccccc3F)o2)CCCCCC1 ZINC000746368877 939063278 /nfs/dbraw/zinc/06/32/78/939063278.db2.gz UCZSLMBDRVNPJA-UHFFFAOYSA-N -1 0 345.370 3.993 20 0 EHADRM CCCCSCC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000762212179 939071657 /nfs/dbraw/zinc/07/16/57/939071657.db2.gz RXUXZWATNHOWKJ-KRWDZBQOSA-N -1 0 331.437 3.615 20 0 EHADRM Cc1ccc(CCCC(=O)N[C@@](C)(C(=O)[O-])c2ccc(F)cc2)s1 ZINC000263236221 939111260 /nfs/dbraw/zinc/11/12/60/939111260.db2.gz SQMNOJOBUBSCRV-GOSISDBHSA-N -1 0 349.427 3.635 20 0 EHADRM CCc1occc1C(=O)N[C@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000263519416 939114149 /nfs/dbraw/zinc/11/41/49/939114149.db2.gz GLCVYMNERIGYHH-KRWDZBQOSA-N -1 0 335.787 3.615 20 0 EHADRM C[C@H](NC(=O)N[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1Cl ZINC000321331439 939124391 /nfs/dbraw/zinc/12/43/91/939124391.db2.gz PMUSJIWSENXAES-XHDPSFHLSA-N -1 0 332.787 3.526 20 0 EHADRM CCC1CCC(NC(=O)C[C@H](C)c2ccc(OC)cc2)(C(=O)[O-])CC1 ZINC000346021400 939129255 /nfs/dbraw/zinc/12/92/55/939129255.db2.gz VWQJYENKIVPWPU-BQTBQCLESA-N -1 0 347.455 3.729 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1ccc(C(F)F)cc1)C1CCCCC1 ZINC000386425836 939132857 /nfs/dbraw/zinc/13/28/57/939132857.db2.gz MIQVVKQIUWUMNW-CYBMUJFWSA-N -1 0 326.343 3.779 20 0 EHADRM CSc1cccc(NC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000390572439 939135369 /nfs/dbraw/zinc/13/53/69/939135369.db2.gz CMMRPFFBTPHLMS-KRWDZBQOSA-N -1 0 330.409 3.530 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000414447565 939140629 /nfs/dbraw/zinc/14/06/29/939140629.db2.gz LAUJGLHOXANUJQ-JSGCOSHPSA-N -1 0 335.450 3.561 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC000414447562 939140726 /nfs/dbraw/zinc/14/07/26/939140726.db2.gz LAUJGLHOXANUJQ-GXTWGEPZSA-N -1 0 335.450 3.561 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC000780627421 939141757 /nfs/dbraw/zinc/14/17/57/939141757.db2.gz YMPHTJOELSMHCT-LJQANCHMSA-N -1 0 348.443 3.685 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CCc1ccc2ccccc2c1)c1ccccc1 ZINC000426688065 939142023 /nfs/dbraw/zinc/14/20/23/939142023.db2.gz NXUZOOICTPOHBX-FQEVSTJZSA-N -1 0 333.387 3.715 20 0 EHADRM Cc1csc(NC(=O)N[C@H](C(=O)[O-])c2cccc3ccccc32)n1 ZINC000788317308 939148953 /nfs/dbraw/zinc/14/89/53/939148953.db2.gz CBPKPHNEYUIBAG-AWEZNQCLSA-N -1 0 341.392 3.552 20 0 EHADRM CC(C)(C)CCNC(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC000797712453 939171127 /nfs/dbraw/zinc/17/11/27/939171127.db2.gz LLBYUUKAHBYYPX-MRXNPFEDSA-N -1 0 328.412 3.701 20 0 EHADRM Cc1cc(C)cc([C@H](C)NC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000797720221 939181582 /nfs/dbraw/zinc/18/15/82/939181582.db2.gz GTPXCJKQTJCACQ-MGPUTAFESA-N -1 0 340.423 3.664 20 0 EHADRM CCCOc1cccc(NC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000797736371 939198751 /nfs/dbraw/zinc/19/87/51/939198751.db2.gz QFZKASUIHRJCQN-IBGZPJMESA-N -1 0 342.395 3.597 20 0 EHADRM CC[C@@](NC(=O)c1ccc(C(C)C)s1)(C(=O)[O-])c1ccccc1 ZINC000439894154 939203052 /nfs/dbraw/zinc/20/30/52/939203052.db2.gz NLMHZSHYHOVMKB-SFHVURJKSA-N -1 0 331.437 3.991 20 0 EHADRM C[C@H](NC(=O)[C@@H](C(=O)[O-])C1CCCC1)c1ccccc1C(F)(F)F ZINC000852946941 939239028 /nfs/dbraw/zinc/23/90/28/939239028.db2.gz GEHMSEMYFKWIAX-HZMBPMFUSA-N -1 0 343.345 3.774 20 0 EHADRM Cc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(F)c(C)c2)cc1F ZINC000517116992 939247578 /nfs/dbraw/zinc/24/75/78/939247578.db2.gz BTEOOTKVKWNAEO-HNNXBMFYSA-N -1 0 334.322 3.529 20 0 EHADRM C[C@@H]1CC[C@@H](NC(=O)N[C@@H](C(=O)[O-])c2ccsc2)c2ccccc21 ZINC000555846118 939304745 /nfs/dbraw/zinc/30/47/45/939304745.db2.gz JRMDAUHIYJQFLY-HFBAOOFYSA-N -1 0 344.436 3.812 20 0 EHADRM CCc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(C)c(C)c2)cc1 ZINC000559428155 939312449 /nfs/dbraw/zinc/31/24/49/939312449.db2.gz SCAARQLXIANAFZ-KRWDZBQOSA-N -1 0 326.396 3.813 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1C ZINC000562620697 939336096 /nfs/dbraw/zinc/33/60/96/939336096.db2.gz LPUZLRWHSYZOBR-CQSZACIVSA-N -1 0 346.452 3.747 20 0 EHADRM Cc1cc(C)cc([C@H](NC(=O)Nc2ccc(F)cc2F)C(=O)[O-])c1 ZINC000564155863 939343436 /nfs/dbraw/zinc/34/34/36/939343436.db2.gz YNEDUIZIVGNBJY-HNNXBMFYSA-N -1 0 334.322 3.529 20 0 EHADRM Cc1cc(NC(=O)N[C@H](C(=O)[O-])c2ccccc2)ccc1OC(C)C ZINC000566580373 939355516 /nfs/dbraw/zinc/35/55/16/939355516.db2.gz XKNAKVUQWZEBOB-KRWDZBQOSA-N -1 0 342.395 3.730 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CC1CCC(C(F)(F)F)CC1)c1ccsc1 ZINC000569121903 939372972 /nfs/dbraw/zinc/37/29/72/939372972.db2.gz NKBXXYSHHBYLII-OCTTZUBCSA-N -1 0 349.374 3.749 20 0 EHADRM Cc1cc(C)cc([C@@H](NC(=O)NCc2cccc(Cl)c2)C(=O)[O-])c1 ZINC000569537388 939375682 /nfs/dbraw/zinc/37/56/82/939375682.db2.gz QNCQRAIZSWCTAW-MRXNPFEDSA-N -1 0 346.814 3.582 20 0 EHADRM Cc1ccc(CCCCC(=O)N[C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC000569825869 939378497 /nfs/dbraw/zinc/37/84/97/939378497.db2.gz NVEPQGMBCHHJKQ-QGZVFWFLSA-N -1 0 331.437 3.711 20 0 EHADRM CC1(C)C[C@H](NC(=O)N[C@@H](C(=O)[O-])c2cccs2)c2ccccc21 ZINC000570629328 939385199 /nfs/dbraw/zinc/38/51/99/939385199.db2.gz XQYWRDDERZDCER-DZGCQCFKSA-N -1 0 344.436 3.596 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)N[C@H](C(=O)[O-])c1ccsc1 ZINC000571463763 939391439 /nfs/dbraw/zinc/39/14/39/939391439.db2.gz HNXYIKCWINXMGK-BBRMVZONSA-N -1 0 331.437 3.649 20 0 EHADRM C[C@@](NC(=O)c1sc2cccc(F)c2c1Cl)(C(=O)[O-])C1CC1 ZINC000909319382 939393164 /nfs/dbraw/zinc/39/31/64/939393164.db2.gz YMBDDUKKYUGRTN-HNNXBMFYSA-N -1 0 341.791 3.677 20 0 EHADRM CC[C@@](NC(=O)c1[nH]ccc1C1CC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000909607914 939723119 /nfs/dbraw/zinc/72/31/19/939723119.db2.gz MNMIAOOPWALZBF-SFHVURJKSA-N -1 0 346.814 3.665 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)N[C@@H](C(=O)[O-])c1ccsc1 ZINC000576362202 939738826 /nfs/dbraw/zinc/73/88/26/939738826.db2.gz WVABZCMEEDZSBC-QMTHXVAHSA-N -1 0 337.828 3.522 20 0 EHADRM O=C([O-])[C@@H](NC(=O)N[C@H]1CC=CCC1)c1ccc(Cl)cc1Cl ZINC000576574146 939740067 /nfs/dbraw/zinc/74/00/67/939740067.db2.gz SOOGCEVWUABZTQ-GWCFXTLKSA-N -1 0 343.210 3.527 20 0 EHADRM CC[C@H](NC(=O)NC1(C(=O)[O-])CCCCC1)c1ccc(F)cc1F ZINC000577670658 939747979 /nfs/dbraw/zinc/74/79/79/939747979.db2.gz CNQAHVAQASOYBE-AWEZNQCLSA-N -1 0 340.370 3.503 20 0 EHADRM Cc1cc(NC(=O)NC2(C(=O)[O-])CCCCC2)ccc1OC(C)C ZINC000577788318 939749075 /nfs/dbraw/zinc/74/90/75/939749075.db2.gz MLVFXZFGEGDDTM-UHFFFAOYSA-N -1 0 334.416 3.691 20 0 EHADRM Cc1cc(C)cc(NC(=O)N[C@H](C(=O)[O-])c2cccc(C)c2C)c1 ZINC000578708941 939756020 /nfs/dbraw/zinc/75/60/20/939756020.db2.gz PUJALYHMJZTEMY-KRWDZBQOSA-N -1 0 326.396 3.868 20 0 EHADRM CCOCc1cccc(NC(=O)NC2(C(=O)[O-])CCCCCC2)c1 ZINC000578710044 939756335 /nfs/dbraw/zinc/75/63/35/939756335.db2.gz WLVZMEZZEFIJFP-UHFFFAOYSA-N -1 0 334.416 3.522 20 0 EHADRM CSCCCCC(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC000910935087 939758776 /nfs/dbraw/zinc/75/87/76/939758776.db2.gz FQSUERXKKJTMLB-KRWDZBQOSA-N -1 0 331.437 3.615 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)N[C@H](C(=O)[O-])c1ccsc1 ZINC000579860531 939766004 /nfs/dbraw/zinc/76/60/04/939766004.db2.gz LDSPZGQFFJOCNS-SJCJKPOMSA-N -1 0 347.436 3.583 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N[C@H](C(=O)[O-])c2cccnc2)cc1Cl ZINC000910993855 939766292 /nfs/dbraw/zinc/76/62/92/939766292.db2.gz SISISYOPIVLYST-HNNXBMFYSA-N -1 0 346.814 3.588 20 0 EHADRM Cc1csc(-c2cccc(NC(=O)NC3(C(=O)[O-])CCCC3)c2)n1 ZINC000582684759 939786352 /nfs/dbraw/zinc/78/63/52/939786352.db2.gz CHMBQUILAIVWPM-UHFFFAOYSA-N -1 0 345.424 3.637 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1ccccc1C(F)(F)F)c1ccsc1 ZINC000582882709 939787238 /nfs/dbraw/zinc/78/72/38/939787238.db2.gz OXHAWVMCEHNUKB-LLVKDONJSA-N -1 0 344.314 3.714 20 0 EHADRM CC(C)OCc1cccc(NC(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)c1 ZINC000656506125 939843707 /nfs/dbraw/zinc/84/37/07/939843707.db2.gz SWKLEEFWTGDSLA-QUWSVYMGSA-N -1 0 348.443 3.767 20 0 EHADRM COc1cccc(Oc2ccc(NC(=O)[C@@H](C(=O)[O-])C3CC3)cc2)c1 ZINC000656847873 939847124 /nfs/dbraw/zinc/84/71/24/939847124.db2.gz BMDQHSMLSVPPKQ-KRWDZBQOSA-N -1 0 341.363 3.537 20 0 EHADRM O=C([O-])[C@@H](NC(=O)C1CCC2(CC2)CC1)c1ccc(Cl)c(F)c1 ZINC000659140300 939847718 /nfs/dbraw/zinc/84/77/18/939847718.db2.gz MYVXVDZOISMMIZ-AWEZNQCLSA-N -1 0 339.794 3.691 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)(C(=O)[O-])CC1 ZINC000659179858 939849741 /nfs/dbraw/zinc/84/97/41/939849741.db2.gz JNXPIHQQTKMAEG-RTWAVKEYSA-N -1 0 335.366 3.505 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1F)C1CCCC1 ZINC000663034229 939850718 /nfs/dbraw/zinc/85/07/18/939850718.db2.gz PDGZLLJEHWARLK-GFCCVEGCSA-N -1 0 333.281 3.674 20 0 EHADRM Cc1ccccc1CNc1ccccc1NC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC000663051732 939851370 /nfs/dbraw/zinc/85/13/70/939851370.db2.gz XTYLAKBFGVDBAK-SFHVURJKSA-N -1 0 338.407 3.656 20 0 EHADRM Cc1c(NC(=O)[C@H](C(=O)[O-])C2CCCC2)cccc1C(F)(F)F ZINC000663079658 939853096 /nfs/dbraw/zinc/85/30/96/939853096.db2.gz MFXUKFALKULOJY-CYBMUJFWSA-N -1 0 329.318 3.843 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1ccc2ccn(C(F)F)c2c1)C1CCCC1 ZINC000663127885 939856996 /nfs/dbraw/zinc/85/69/96/939856996.db2.gz VAAXENBDUKJJDU-AWEZNQCLSA-N -1 0 336.338 3.866 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1cccc2c1ccn2C(F)F)C1CCCC1 ZINC000663125007 939856869 /nfs/dbraw/zinc/85/68/69/939856869.db2.gz IRCIIPUNVOYHMS-AWEZNQCLSA-N -1 0 336.338 3.866 20 0 EHADRM Cc1ccc(F)c(NC(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)c1 ZINC000683920505 939871198 /nfs/dbraw/zinc/87/11/98/939871198.db2.gz CPHIQWFJDOSXRK-MRXNPFEDSA-N -1 0 330.359 3.698 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)/C=C\c1ccc(Cl)cc1 ZINC000321813865 970811436 /nfs/dbraw/zinc/81/14/36/970811436.db2.gz AZRGPWIUAMEDGY-WDZFZDKYSA-N -1 0 329.783 3.710 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC001610991518 970835995 /nfs/dbraw/zinc/83/59/95/970835995.db2.gz SVZONXVRTWCMTK-KGLIPLIRSA-N -1 0 334.416 3.503 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)c1cc3sccc3s1)C2 ZINC000322420129 970885104 /nfs/dbraw/zinc/88/51/04/970885104.db2.gz YUSMAFXLRYDBRM-UHFFFAOYSA-N -1 0 343.429 3.860 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1sc2ccccc2c1Cl ZINC000322635371 970913570 /nfs/dbraw/zinc/91/35/70/970913570.db2.gz SFIDLBWNDJOSIJ-RULNRJAQSA-N -1 0 349.839 3.880 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1F ZINC000323258154 970983409 /nfs/dbraw/zinc/98/34/09/970983409.db2.gz VPXVJFNLXNWBPL-KOLCDFICSA-N -1 0 333.281 3.831 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccccc1C(C)C ZINC000323349955 970993591 /nfs/dbraw/zinc/99/35/91/970993591.db2.gz SHQOGHYKFYNNFQ-UHFFFAOYSA-N -1 0 333.409 3.617 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](c2nc(Cc3ccc(F)cc3Cl)no2)C1 ZINC000323396465 970999432 /nfs/dbraw/zinc/99/94/32/970999432.db2.gz MCNHWZAUCRBLCG-QWRGUYRKSA-N -1 0 338.766 3.811 20 0 EHADRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@H]2CCCC[C@H]2C1 ZINC000323746080 971035307 /nfs/dbraw/zinc/03/53/07/971035307.db2.gz SANCLDISKLWJLD-QWRGUYRKSA-N -1 0 338.791 3.963 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)c1cc(-c2ccccc2)on1 ZINC000323821756 971042355 /nfs/dbraw/zinc/04/23/55/971042355.db2.gz KHVQOXJACMZDBI-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1Nc1ccc2c(c1)COC2 ZINC000323874989 971050993 /nfs/dbraw/zinc/05/09/93/971050993.db2.gz FHNKFXSRKYLHSS-UHFFFAOYSA-N -1 0 334.715 3.720 20 0 EHADRM Cc1ccc(NC(=O)C(C)(C)Oc2ccc(F)cc2)c(C(=O)[O-])c1 ZINC000324005610 971072833 /nfs/dbraw/zinc/07/28/33/971072833.db2.gz HLEKYWKLCUNGPG-UHFFFAOYSA-N -1 0 331.343 3.628 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccc(CC(=O)[O-])cc2)o1 ZINC000324003221 971072890 /nfs/dbraw/zinc/07/28/90/971072890.db2.gz GQEFMGOKMSOZDT-LRDDRELGSA-N -1 0 327.380 3.601 20 0 EHADRM O=C([O-])c1ccc(F)c(COc2cc(F)c([N+](=O)[O-])cc2Cl)c1 ZINC000324019677 971075321 /nfs/dbraw/zinc/07/53/21/971075321.db2.gz NNQHISDAXPWWDD-UHFFFAOYSA-N -1 0 343.669 3.804 20 0 EHADRM CC(C)COc1ccc(C(=O)NC2(C(=O)[O-])CCCCCC2)cc1 ZINC000324095943 971083312 /nfs/dbraw/zinc/08/33/12/971083312.db2.gz KKPVAUBTQJBUMM-UHFFFAOYSA-N -1 0 333.428 3.629 20 0 EHADRM O=C([O-])c1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)c(F)cc1F ZINC000324166693 971091251 /nfs/dbraw/zinc/09/12/51/971091251.db2.gz FAUHVLOAXFPIAP-UHFFFAOYSA-N -1 0 335.350 3.818 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000324723444 971151505 /nfs/dbraw/zinc/15/15/05/971151505.db2.gz GKMAOOJMECPFHS-NSHDSACASA-N -1 0 344.333 3.814 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2ccc(-c3cnco3)cc2)CCCC1 ZINC000324797801 971158327 /nfs/dbraw/zinc/15/83/27/971158327.db2.gz PDQRPJRVYPOAAI-UHFFFAOYSA-N -1 0 328.368 3.705 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc(-c3ccccc3)on2)ccc1Cl ZINC000325063476 971181016 /nfs/dbraw/zinc/18/10/16/971181016.db2.gz URSJSLZLLZCQNW-UHFFFAOYSA-N -1 0 342.738 3.946 20 0 EHADRM Cc1oc(CNC(=O)c2oc3ccc(Cl)cc3c2C)cc1C(=O)[O-] ZINC000325078079 971183505 /nfs/dbraw/zinc/18/35/05/971183505.db2.gz HRPLDZDTTVQEKA-UHFFFAOYSA-N -1 0 347.754 3.924 20 0 EHADRM O=C([O-])c1ccc(COC(=O)C2(c3cccc(F)c3)CCC2)cc1 ZINC001602352744 971189027 /nfs/dbraw/zinc/18/90/27/971189027.db2.gz SYYQSQNSMHUTJW-UHFFFAOYSA-N -1 0 328.339 3.689 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)nc1 ZINC001602374500 971190150 /nfs/dbraw/zinc/19/01/50/971190150.db2.gz JKGSUCNOTGPKPO-SJORKVTESA-N -1 0 332.359 3.675 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(Cc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000325230507 971195906 /nfs/dbraw/zinc/19/59/06/971195906.db2.gz BYAHSZXMSZDCQN-UHFFFAOYSA-N -1 0 346.770 3.505 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)c2cc3ccc(F)cc3s2)c1 ZINC000325326984 971204695 /nfs/dbraw/zinc/20/46/95/971204695.db2.gz FZNXCGPVWGEIIS-UHFFFAOYSA-N -1 0 345.351 3.756 20 0 EHADRM Cc1ccc(OCCC(=O)Nc2c(F)cccc2C(=O)[O-])c(C)c1 ZINC000325372117 971209137 /nfs/dbraw/zinc/20/91/37/971209137.db2.gz KLVLIQFBCMMFFM-UHFFFAOYSA-N -1 0 331.343 3.548 20 0 EHADRM C[C@H](Cc1cccs1)N(C)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000325543298 971224880 /nfs/dbraw/zinc/22/48/80/971224880.db2.gz TXZQSSODVOWBEA-CYBMUJFWSA-N -1 0 346.452 3.860 20 0 EHADRM CCc1cc2c(ncnc2N2CCc3c(cccc3C(=O)[O-])C2)s1 ZINC000325584511 971228315 /nfs/dbraw/zinc/22/83/15/971228315.db2.gz LPVUOXIPICIGSI-UHFFFAOYSA-N -1 0 339.420 3.515 20 0 EHADRM O=C([O-])c1cccc2c1CCN(Cc1cccc(C(F)(F)F)c1)C2 ZINC000325772235 971242785 /nfs/dbraw/zinc/24/27/85/971242785.db2.gz KJZDUXAPYVXBGA-UHFFFAOYSA-N -1 0 335.325 3.962 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1CC[C@@H]3CCCC[C@H]3C1)C2 ZINC000326336766 971283833 /nfs/dbraw/zinc/28/38/33/971283833.db2.gz JFRJDEWKHVTSTE-SOUVJXGZSA-N -1 0 327.424 3.834 20 0 EHADRM CCOc1ccccc1CCC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000326587783 971307047 /nfs/dbraw/zinc/30/70/47/971307047.db2.gz FQSDDNXUSRLPFO-UHFFFAOYSA-N -1 0 349.333 3.633 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](c2nc([C@H]3CCc4ccccc4C3)no2)C1 ZINC000326701293 971318156 /nfs/dbraw/zinc/31/81/56/971318156.db2.gz VCZXHASAQSUKNE-ARFHVFGLSA-N -1 0 326.396 3.701 20 0 EHADRM CCC1CCC(NC(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)(C(=O)[O-])CC1 ZINC000326793322 971328375 /nfs/dbraw/zinc/32/83/75/971328375.db2.gz XUZKGQACWIAQNN-JOBMURKTSA-N -1 0 347.455 3.875 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)N2CCCc3ccccc3C2)cc1F ZINC000326941288 971348240 /nfs/dbraw/zinc/34/82/40/971348240.db2.gz WBCZOULXSKNEJO-UHFFFAOYSA-N -1 0 346.333 3.643 20 0 EHADRM CC(=O)Nc1ccc(Nc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC000327099397 971366258 /nfs/dbraw/zinc/36/62/58/971366258.db2.gz LFGYKDCAOWECKK-UHFFFAOYSA-N -1 0 349.730 3.648 20 0 EHADRM Cc1cc(C)cc(OCCC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])c1 ZINC000327692024 971419730 /nfs/dbraw/zinc/41/97/30/971419730.db2.gz STVCAOXZZCEIFM-SFHVURJKSA-N -1 0 347.455 3.612 20 0 EHADRM C/C(=C/c1c(Cl)cccc1Cl)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001602736343 971423504 /nfs/dbraw/zinc/42/35/04/971423504.db2.gz QMAVLJHVOAGUEC-SIJIIQCFSA-N -1 0 342.222 3.720 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)N[C@@H]2CCCCC23CCCC3)cc1 ZINC000327846724 971428668 /nfs/dbraw/zinc/42/86/68/971428668.db2.gz QNYYSJUBPBZQBP-QGZVFWFLSA-N -1 0 344.455 3.730 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)c2ccccc2n1 ZINC000327880415 971430779 /nfs/dbraw/zinc/43/07/79/971430779.db2.gz ZJMRHDVGLBRNGW-UHFFFAOYSA-N -1 0 342.301 3.772 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000339346953 971516177 /nfs/dbraw/zinc/51/61/77/971516177.db2.gz CFDLJTISLDENBG-YMTOWFKASA-N -1 0 332.227 3.542 20 0 EHADRM CC[C@@H](NC(=O)c1coc(/C=C/C(=O)[O-])c1)c1cc(F)ccc1F ZINC001589568651 948891612 /nfs/dbraw/zinc/89/16/12/948891612.db2.gz NVOSLLJMLIGSEF-CSPWOOARSA-N -1 0 335.306 3.537 20 0 EHADRM Cc1c(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)cnn1-c1cccc(C)c1 ZINC000341223650 971517797 /nfs/dbraw/zinc/51/77/97/971517797.db2.gz SWGYLCZCXSZHNR-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)Cc1cccc(Br)c1 ZINC000050039917 948917166 /nfs/dbraw/zinc/91/71/66/948917166.db2.gz BQNZQDSUNDNFJH-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM O=C([O-])CCC(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000345809600 971519788 /nfs/dbraw/zinc/51/97/88/971519788.db2.gz SZZYUSXTDIMLLP-INIZCTEOSA-N -1 0 331.799 3.605 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000346001806 971520605 /nfs/dbraw/zinc/52/06/05/971520605.db2.gz VYEVGRYERHGEPR-KKXDTOCCSA-N -1 0 325.408 3.655 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)c1 ZINC000346032423 971521001 /nfs/dbraw/zinc/52/10/01/971521001.db2.gz WNJCYJKYPFKPEL-UHFFFAOYSA-N -1 0 347.374 3.700 20 0 EHADRM CCCC[C@H](NC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000347256070 971522053 /nfs/dbraw/zinc/52/20/53/971522053.db2.gz FCEMYPBGWYMBMF-RNCFNFMXSA-N -1 0 348.226 3.520 20 0 EHADRM CCCC[C@@H](NC(=O)c1ccc(-c2ccc(CC)cc2)o1)C(=O)[O-] ZINC000347256181 971522080 /nfs/dbraw/zinc/52/20/80/971522080.db2.gz FZSOJUUBWUJOHD-OAHLLOKOSA-N -1 0 329.396 3.882 20 0 EHADRM CCCC[C@H](NC(=O)c1sc(-c2ccccc2)cc1OC)C(=O)[O-] ZINC000347268563 971522513 /nfs/dbraw/zinc/52/25/13/971522513.db2.gz YRVFCCXTCJJBDP-ZDUSSCGKSA-N -1 0 347.436 3.797 20 0 EHADRM CCCC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000347268292 971522805 /nfs/dbraw/zinc/52/28/05/971522805.db2.gz PQDQKVZUFXPBQB-KSZLIROESA-N -1 0 325.408 3.703 20 0 EHADRM CC(C)CCOc1ccc(C(=O)N(CCC(=O)[O-])CC(C)C)cc1 ZINC000347847552 971526520 /nfs/dbraw/zinc/52/65/20/971526520.db2.gz DOWRBTFDDZJDKI-UHFFFAOYSA-N -1 0 335.444 3.684 20 0 EHADRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)c1cc2ccccc2o1 ZINC000348014201 971527194 /nfs/dbraw/zinc/52/71/94/971527194.db2.gz ZJTOXLKOIJHDES-UHFFFAOYSA-N -1 0 343.766 3.813 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2ccc(OCC3CC3)cc2)CCCC1 ZINC000354569396 971529609 /nfs/dbraw/zinc/52/96/09/971529609.db2.gz KMAXWFJDGPOMCO-UHFFFAOYSA-N -1 0 331.412 3.839 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001589584669 949031945 /nfs/dbraw/zinc/03/19/45/949031945.db2.gz LGAYMVHOJGEZRH-HOTGVXAUSA-N -1 0 347.411 3.639 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)OC)Cc1cccc(C(=O)[O-])c1 ZINC001589584867 949036777 /nfs/dbraw/zinc/03/67/77/949036777.db2.gz CVFKGMXESCBGLQ-SFHVURJKSA-N -1 0 341.407 3.511 20 0 EHADRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)c1ccc2cc[nH]c2c1 ZINC000362517106 971534732 /nfs/dbraw/zinc/53/47/32/971534732.db2.gz WILFISCBODNPHA-UHFFFAOYSA-N -1 0 342.782 3.548 20 0 EHADRM Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N(CC(=O)[O-])C(C)C ZINC000362336473 971535214 /nfs/dbraw/zinc/53/52/14/971535214.db2.gz WMZKBMGIIVSCGF-UHFFFAOYSA-N -1 0 346.452 3.671 20 0 EHADRM O=C([O-])[C@H]1CN(Cc2ccc(Br)cc2)Cc2ccccc21 ZINC000087612404 949091557 /nfs/dbraw/zinc/09/15/57/949091557.db2.gz LCYYJEJRRMTIGY-INIZCTEOSA-N -1 0 346.224 3.633 20 0 EHADRM C[C@@H](CC1CCCC1)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000366278765 971545775 /nfs/dbraw/zinc/54/57/75/971545775.db2.gz IZWFJGLWYCRITR-JCGIZDLHSA-N -1 0 329.440 3.530 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Cc2cc(Cl)ccc2Cl)C1 ZINC001589592374 949104740 /nfs/dbraw/zinc/10/47/40/949104740.db2.gz QDNXRHCZEVAOFM-INIZCTEOSA-N -1 0 344.238 3.639 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)NC2CCC(C3CCC3)CC2)C1 ZINC001589596516 949149908 /nfs/dbraw/zinc/14/99/08/949149908.db2.gz MURBLUUYTRZFIS-LADRWXRNSA-N -1 0 336.476 3.632 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2n[nH]cc2-c2ccc(Cl)cc2)cc1 ZINC001595222002 949263222 /nfs/dbraw/zinc/26/32/22/949263222.db2.gz LSHMJCRBSOUQRV-UHFFFAOYSA-N -1 0 341.754 3.681 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2C[C@@H]3CCCC[C@@]32c2ccccc2)C1 ZINC000378526483 971568059 /nfs/dbraw/zinc/56/80/59/971568059.db2.gz OGGKMXYHIIRDRF-ONFYXGJMSA-N -1 0 341.451 3.805 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2ccsc2Br)cc1 ZINC001595233847 949380647 /nfs/dbraw/zinc/38/06/47/949380647.db2.gz UQIFUYAHJWTAQG-UHFFFAOYSA-N -1 0 341.182 3.566 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)CCc1cc(F)ccc1F ZINC001595238098 949424965 /nfs/dbraw/zinc/42/49/65/949424965.db2.gz IJIAXTPYMSYGSP-UHFFFAOYSA-N -1 0 345.345 3.575 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)C(F)(F)Cc1ccccc1 ZINC001595238375 949426869 /nfs/dbraw/zinc/42/68/69/949426869.db2.gz OIKOBFIUKNVEBB-UHFFFAOYSA-N -1 0 345.345 3.542 20 0 EHADRM CC[C@H]1CCc2c(sc(NC(=O)c3ccncc3)c2C(=O)[O-])C1 ZINC001589622639 949436817 /nfs/dbraw/zinc/43/68/17/949436817.db2.gz KGNXUWBKEKUVJV-JTQLQIEISA-N -1 0 330.409 3.609 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)c1cccc2scnc21 ZINC001595239392 949440705 /nfs/dbraw/zinc/44/07/05/949440705.db2.gz XDIMWXKTAVDUAE-UHFFFAOYSA-N -1 0 338.388 3.588 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)CSc2cccc3cccc(Cl)c32)C1 ZINC000178266743 949490630 /nfs/dbraw/zinc/49/06/30/949490630.db2.gz YKEONQPKBHBBMK-LBPRGKRZSA-N -1 0 349.839 3.518 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2cccc(-c3ccoc3)c2)C1 ZINC000191206595 949508944 /nfs/dbraw/zinc/50/89/44/949508944.db2.gz KAWNDDROIDEWLF-CQSZACIVSA-N -1 0 327.380 3.664 20 0 EHADRM CCC[C@@H](CC)C(=O)Nc1scc(-c2cnn(C)c2)c1C(=O)[O-] ZINC001589631383 949545221 /nfs/dbraw/zinc/54/52/21/949545221.db2.gz GVIUHDXAOVHVHE-SNVBAGLBSA-N -1 0 335.429 3.612 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 ZINC001595254098 949575916 /nfs/dbraw/zinc/57/59/16/949575916.db2.gz WQLXWKOKYATBPE-IBGZPJMESA-N -1 0 335.403 3.681 20 0 EHADRM CCC[C@H]1CCc2nc(NC(=O)C3(CC(=O)[O-])CCC3)sc2C1 ZINC001589638795 949644501 /nfs/dbraw/zinc/64/45/01/949644501.db2.gz FMSMGWMISNKMSA-NSHDSACASA-N -1 0 336.457 3.632 20 0 EHADRM CCCOc1ccc(OCCSc2nc(C(=O)[O-])cs2)cc1 ZINC000379066821 971596881 /nfs/dbraw/zinc/59/68/81/971596881.db2.gz WQWQSPNOPYOQPY-UHFFFAOYSA-N -1 0 339.438 3.801 20 0 EHADRM CCCCC1CCC(CNC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC001589639540 949663551 /nfs/dbraw/zinc/66/35/51/949663551.db2.gz AIXQVRQEMGGCMZ-RDHHWEPZSA-N -1 0 338.492 3.735 20 0 EHADRM CCCCC1CCC(CNC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)CC1 ZINC001589639762 949670301 /nfs/dbraw/zinc/67/03/01/949670301.db2.gz KNWLAZYKRPYEBL-ZGRYLRDCSA-N -1 0 338.492 3.735 20 0 EHADRM Cc1cc(NC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)c(Cl)cc1F ZINC000379130509 971602944 /nfs/dbraw/zinc/60/29/44/971602944.db2.gz OXOHIIFFOAYLEO-ZJUUUORDSA-N -1 0 328.771 3.552 20 0 EHADRM CCCCOc1ccc(OC)cc1NC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001589653898 949798213 /nfs/dbraw/zinc/79/82/13/949798213.db2.gz AJYHXLIEKKTBNZ-KRWDZBQOSA-N -1 0 349.427 3.704 20 0 EHADRM CCCCOc1ccccc1NC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC001589654363 949804066 /nfs/dbraw/zinc/80/40/66/949804066.db2.gz DJSIBXMSLQPJDX-UONOGXRCSA-N -1 0 334.416 3.583 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 ZINC001595274221 949890975 /nfs/dbraw/zinc/89/09/75/949890975.db2.gz WEGYHDSAAGSUDB-INIZCTEOSA-N -1 0 337.379 3.539 20 0 EHADRM O=C([O-])c1ccc(Br)c(NC(=O)c2ccccc2F)c1 ZINC000236481618 949918372 /nfs/dbraw/zinc/91/83/72/949918372.db2.gz SGUFFIYRRSIVCW-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM CC(C)(NC(=O)c1ccc(-c2nc3ccccc3s2)s1)C(=O)[O-] ZINC000236691126 949931832 /nfs/dbraw/zinc/93/18/32/949931832.db2.gz TWUDAEHGWRFQIU-UHFFFAOYSA-N -1 0 346.433 3.618 20 0 EHADRM CC(C)C[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000236788373 949936341 /nfs/dbraw/zinc/93/63/41/949936341.db2.gz FHARJDSUPZPQJT-KZNAEPCWSA-N -1 0 325.408 3.559 20 0 EHADRM CCc1ccc(C(C)(C)C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000237148426 949953406 /nfs/dbraw/zinc/95/34/06/949953406.db2.gz PPLXWIBTFXVKBK-UHFFFAOYSA-N -1 0 325.408 3.541 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)N3CCCC[C@@H]3CCC(=O)[O-])cc2C1 ZINC000237547403 949965448 /nfs/dbraw/zinc/96/54/48/949965448.db2.gz FXELFGJZBKVXOL-TZMCWYRMSA-N -1 0 335.469 3.732 20 0 EHADRM C[C@H]1CCc2sc(C(=O)N3CCCC[C@H]3CCC(=O)[O-])cc2C1 ZINC000237716721 949976763 /nfs/dbraw/zinc/97/67/63/949976763.db2.gz FXELFGJZBKVXOL-JSGCOSHPSA-N -1 0 335.469 3.732 20 0 EHADRM O=C([O-])CCCNC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 ZINC000237978697 949983700 /nfs/dbraw/zinc/98/37/00/949983700.db2.gz KPERYJFWZVWPKT-CSKARUKUSA-N -1 0 333.384 3.548 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2ccc(SC(F)F)cc2)cc1 ZINC000238096462 949993772 /nfs/dbraw/zinc/99/37/72/949993772.db2.gz FFYYQBCLWKETHK-UHFFFAOYSA-N -1 0 337.347 3.630 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2ccc3ccc(Cl)cc3n2)cc1 ZINC000238134885 949994329 /nfs/dbraw/zinc/99/43/29/949994329.db2.gz UVVOCMCHOCGFJY-UHFFFAOYSA-N -1 0 340.766 3.516 20 0 EHADRM CCCOc1cc(C)ccc1NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001589680113 950036379 /nfs/dbraw/zinc/03/63/79/950036379.db2.gz LSPCNXBPYQBLIM-TWGQIWQCSA-N -1 0 329.352 3.727 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000262190032 950081923 /nfs/dbraw/zinc/08/19/23/950081923.db2.gz SFUOKKAYFIYZGG-GFCCVEGCSA-N -1 0 338.473 3.609 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC[C@H]3C(=O)[O-])cn2)cc1C ZINC000262285556 950105115 /nfs/dbraw/zinc/10/51/15/950105115.db2.gz ZQKNSSCECJNKHN-JKSUJKDBSA-N -1 0 340.379 3.540 20 0 EHADRM C[C@H](CC(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1ccc(F)cc1F ZINC000262954115 950198679 /nfs/dbraw/zinc/19/86/79/950198679.db2.gz NBYPZJGJMNUNDB-TZMCWYRMSA-N -1 0 339.382 3.704 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc3c4c(cccc42)CC3)C1 ZINC000263048308 950232267 /nfs/dbraw/zinc/23/22/67/950232267.db2.gz DEVPKTOCJPRWMZ-DOMZBBRYSA-N -1 0 338.407 3.513 20 0 EHADRM CCN(C(=O)Nc1ccccc1COc1ccccc1)[C@H](C)C(=O)[O-] ZINC001589707290 950307303 /nfs/dbraw/zinc/30/73/03/950307303.db2.gz RCAAKZOUPDNGED-CQSZACIVSA-N -1 0 342.395 3.593 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000263171912 950309630 /nfs/dbraw/zinc/30/96/30/950309630.db2.gz SEXKLCFXZVVOBD-UWVGGRQHSA-N -1 0 344.383 3.576 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cccn1Cc1ccccc1 ZINC000379736276 971657360 /nfs/dbraw/zinc/65/73/60/971657360.db2.gz MZVOVJWFCWPANP-UHFFFAOYSA-N -1 0 334.375 3.795 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)C1 ZINC000263308368 950359063 /nfs/dbraw/zinc/35/90/63/950359063.db2.gz HOYBOYMAPQZXHM-MWLKLMTCSA-N -1 0 337.419 3.513 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2sccc2-c2ccccc2)C1 ZINC000263326337 950370440 /nfs/dbraw/zinc/37/04/40/950370440.db2.gz KPXMLODQTBHFQA-JSGCOSHPSA-N -1 0 329.421 3.598 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000263333737 950375737 /nfs/dbraw/zinc/37/57/37/950375737.db2.gz MAENIVVTGRHKNB-HOCLYGCPSA-N -1 0 339.391 3.662 20 0 EHADRM CC(C)[C@@H]1N(C(=O)NC2CCC(C(=O)[O-])CC2)CC12CCCCC2 ZINC000263453664 950471191 /nfs/dbraw/zinc/47/11/91/950471191.db2.gz GVKAVZKCDHURSX-GPANFISMSA-N -1 0 336.476 3.630 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)C2(Cc3cccc(F)c3)CCC2)C1 ZINC000263531806 950505182 /nfs/dbraw/zinc/50/51/82/950505182.db2.gz MTTDBUKCHQHCEL-HNNXBMFYSA-N -1 0 347.430 3.642 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC[C@@H]1C(=O)[O-] ZINC000313753312 950796223 /nfs/dbraw/zinc/79/62/23/950796223.db2.gz GMOABQPUALHSPV-WPRPVWTQSA-N -1 0 331.199 3.568 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000318543418 950926713 /nfs/dbraw/zinc/92/67/13/950926713.db2.gz LTYUGADWPLSEGO-COPLHBTASA-N -1 0 341.860 3.532 20 0 EHADRM Cc1nc(Cl)c(Cl)cc1C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000319439766 950960464 /nfs/dbraw/zinc/96/04/64/950960464.db2.gz LHGYTCZVGPFGFN-JTQLQIEISA-N -1 0 345.226 3.556 20 0 EHADRM O=C([O-])CC1(NC(=O)/C(F)=C\c2ccc(C(F)(F)F)cc2)CCC1 ZINC001594978691 950960697 /nfs/dbraw/zinc/96/06/97/950960697.db2.gz SQCNWIHOTNDYIR-XYOKQWHBSA-N -1 0 345.292 3.529 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)N[C@H]1CCCc2sccc21 ZINC000320831288 951001894 /nfs/dbraw/zinc/00/18/94/951001894.db2.gz ZPNSEUKRUVBWTB-OCCSQVGLSA-N -1 0 336.457 3.554 20 0 EHADRM Cc1c(C(=O)N2CCC[C@H](CC(=O)[O-])C2)sc2cccc(F)c12 ZINC000321289770 951014012 /nfs/dbraw/zinc/01/40/12/951014012.db2.gz XMLYSZWZQUONKM-LLVKDONJSA-N -1 0 335.400 3.676 20 0 EHADRM CSc1ccc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000322386005 951029225 /nfs/dbraw/zinc/02/92/25/951029225.db2.gz OQKGMABJYDVOSA-HNNXBMFYSA-N -1 0 327.405 3.627 20 0 EHADRM Cc1ccc(NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1[N+](=O)[O-] ZINC000324525247 951070042 /nfs/dbraw/zinc/07/00/42/951070042.db2.gz QCEVTSFJKHVLBB-UHFFFAOYSA-N -1 0 329.312 3.554 20 0 EHADRM COc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)c(F)c1 ZINC000326057705 951096929 /nfs/dbraw/zinc/09/69/29/951096929.db2.gz IZCCBTDTBROKOV-UHFFFAOYSA-N -1 0 349.383 3.725 20 0 EHADRM C[C@](NC(=O)c1ccc(F)c2ccccc12)(C(=O)[O-])c1ccccc1 ZINC000327871200 951119872 /nfs/dbraw/zinc/11/98/72/951119872.db2.gz QUJNJCARWYNHIN-HXUWFJFHSA-N -1 0 337.350 3.709 20 0 EHADRM O=C([O-])CC[C@H]1C[C@@H](C(=O)Nc2ccc(-c3ccccc3)cc2)CO1 ZINC001595005827 951197162 /nfs/dbraw/zinc/19/71/62/951197162.db2.gz QJXUUTWZAMFTQQ-AEFFLSMTSA-N -1 0 339.391 3.562 20 0 EHADRM CCOc1ccc(SCC(=O)Nc2sccc2C(=O)[O-])cc1 ZINC000386544318 951300453 /nfs/dbraw/zinc/30/04/53/951300453.db2.gz KDRUROKXXAVPCP-UHFFFAOYSA-N -1 0 337.422 3.576 20 0 EHADRM CC(C)C[C@H](CNc1ccc([N+](=O)[O-])c2cccnc12)CC(=O)[O-] ZINC000391732174 951403042 /nfs/dbraw/zinc/40/30/42/951403042.db2.gz VUZRSFKUIVAITR-LBPRGKRZSA-N -1 0 331.372 3.692 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000392473874 951423017 /nfs/dbraw/zinc/42/30/17/951423017.db2.gz CEYAZTDQQZVFEE-UHFFFAOYSA-N -1 0 348.742 3.518 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2ccc(F)c3cccnc23)c1 ZINC001595064241 951535800 /nfs/dbraw/zinc/53/58/00/951535800.db2.gz MQAPMUOWHSWGBX-UHFFFAOYSA-N -1 0 338.338 3.643 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)N[C@H](CF)c2ccc(F)cc2)c1 ZINC001595066014 951545377 /nfs/dbraw/zinc/54/53/77/951545377.db2.gz ABTGUCLDZILBHJ-MRXNPFEDSA-N -1 0 348.349 3.675 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)NC2(Cc3ccccc3)CC2)c1 ZINC001595066892 951559446 /nfs/dbraw/zinc/55/94/46/951559446.db2.gz RLRKUEPPKFNWHJ-UHFFFAOYSA-N -1 0 338.407 3.601 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)C1(c2c(F)cccc2F)CCC1 ZINC001595138006 952066351 /nfs/dbraw/zinc/06/63/51/952066351.db2.gz AZBIGZYADKTRLA-UHFFFAOYSA-N -1 0 345.345 3.652 20 0 EHADRM CC(C)(CC(=O)N(CC(=O)[O-])CC1CC1)Cc1ccc(Cl)cc1 ZINC001602929000 971896943 /nfs/dbraw/zinc/89/69/43/971896943.db2.gz UMADROIXDUMFFE-UHFFFAOYSA-N -1 0 337.847 3.622 20 0 EHADRM O=C([O-])C1(CNC(=O)N[C@@H]2CCC[C@H](c3ccccc3)CC2)CCC1 ZINC001594742222 953366458 /nfs/dbraw/zinc/36/64/58/953366458.db2.gz UUXUDUUJFAUIJL-DLBZAZTESA-N -1 0 344.455 3.657 20 0 EHADRM CC1CC(C(=O)Nc2ccnc(C(=O)[O-])c2)(c2cccc(Cl)c2)C1 ZINC001589266188 953372016 /nfs/dbraw/zinc/37/20/16/953372016.db2.gz OMJLFCKOJAMZDX-UHFFFAOYSA-N -1 0 344.798 3.740 20 0 EHADRM CC(C)Cn1cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)c2ccccc21 ZINC000422580845 953424124 /nfs/dbraw/zinc/42/41/24/953424124.db2.gz NBHZCWSEVUHBET-LSDHHAIUSA-N -1 0 342.439 3.623 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cc(-c2ncco2)ccc1C)C(=O)[O-] ZINC000424377314 953451542 /nfs/dbraw/zinc/45/15/42/953451542.db2.gz DGVXPYYZDOUMJQ-UHFFFAOYSA-N -1 0 345.399 3.663 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1ccccc1-c1csc(C)n1)C(=O)[O-] ZINC001593610163 953465043 /nfs/dbraw/zinc/46/50/43/953465043.db2.gz ZAHBVCWPKJPJMA-BONVTDFDSA-N -1 0 347.440 3.739 20 0 EHADRM CCN(C(=O)NCC(CC)(CC)C(=O)[O-])[C@H](C)Cc1ccsc1 ZINC000424429763 953485240 /nfs/dbraw/zinc/48/52/40/953485240.db2.gz KLRPCTMIRTZSMW-CYBMUJFWSA-N -1 0 340.489 3.602 20 0 EHADRM CC(C)(CCNC(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1)C(=O)[O-] ZINC000424447085 953488701 /nfs/dbraw/zinc/48/87/01/953488701.db2.gz HKRKWLRWZOYOHL-INIZCTEOSA-N -1 0 348.418 3.562 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)NCc1c(Cl)oc2ccccc21 ZINC001594766173 953532203 /nfs/dbraw/zinc/53/22/03/953532203.db2.gz KRPAWWCDLLXSTE-UHFFFAOYSA-N -1 0 345.742 3.501 20 0 EHADRM CC[C@H](NC(=O)c1coc(/C=C/C(=O)[O-])c1)c1ccc(C)c(F)c1 ZINC001593622386 953535620 /nfs/dbraw/zinc/53/56/20/953535620.db2.gz ZMQYMCUAOGVLIC-MOEXGYKKSA-N -1 0 331.343 3.706 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)Nc1ccccc1C(F)(F)F ZINC001594771904 953567574 /nfs/dbraw/zinc/56/75/74/953567574.db2.gz GLVCIGWOTXORLD-UHFFFAOYSA-N -1 0 338.285 3.725 20 0 EHADRM CCc1ccc(-c2csc(NC(=O)C3(C(=O)[O-])CC=CC3)n2)cc1 ZINC001593633975 953598824 /nfs/dbraw/zinc/59/88/24/953598824.db2.gz UWNFFPXQPDOOQT-UHFFFAOYSA-N -1 0 342.420 3.732 20 0 EHADRM CC[C@@H](NC(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000563389999 953600336 /nfs/dbraw/zinc/60/03/36/953600336.db2.gz VLHKBTROGWSNQV-SWLSCSKDSA-N -1 0 338.835 3.687 20 0 EHADRM CCc1ccc([C@H](NC(=O)NC[C@@H](C(=O)[O-])C(C)C)C(C)C)cc1 ZINC001593636326 953611371 /nfs/dbraw/zinc/61/13/71/953611371.db2.gz CRKSJDCWMGIXHZ-IAGOWNOFSA-N -1 0 334.460 3.602 20 0 EHADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1cc2sc3ccccc3c2s1 ZINC000568296635 953644204 /nfs/dbraw/zinc/64/42/04/953644204.db2.gz QFZDFUGDZCDOJD-KYZUINATSA-N -1 0 331.418 3.709 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000571464059 953661707 /nfs/dbraw/zinc/66/17/07/953661707.db2.gz QQLHPYDWDHJLSO-UHFFFAOYSA-N -1 0 344.238 3.738 20 0 EHADRM CC[C@H](NC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)c1ccc(Cl)s1 ZINC000571759557 953664303 /nfs/dbraw/zinc/66/43/03/953664303.db2.gz XHNHIESVQVSJEN-MXWKQRLJSA-N -1 0 344.864 3.605 20 0 EHADRM Cc1c(C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)oc2c1c(C)ccc2C ZINC000572121440 953668293 /nfs/dbraw/zinc/66/82/93/953668293.db2.gz WAEJUNPFODMLKQ-QMTHXVAHSA-N -1 0 329.396 3.541 20 0 EHADRM C[C@H]1CC/C(=C\C(=O)Nc2scc(-c3cnn(C)c3)c2C(=O)[O-])C1 ZINC001589299413 953680768 /nfs/dbraw/zinc/68/07/68/953680768.db2.gz KGGUJMMNMCBDDL-OTXQMUPVSA-N -1 0 345.424 3.532 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)Nc2cc(C(=O)[O-])ccc2Br)C1 ZINC001589299853 953685051 /nfs/dbraw/zinc/68/50/51/953685051.db2.gz OFEKBERKKAHAOI-DTWKUNHWSA-N -1 0 326.190 3.522 20 0 EHADRM C[C@@H]1CCN(C(=O)c2sccc2-c2ccccc2)C[C@H]1C(=O)[O-] ZINC000583934415 953729903 /nfs/dbraw/zinc/72/99/03/953729903.db2.gz FHPPVURYIHJRPJ-IUODEOHRSA-N -1 0 329.421 3.598 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1cccc2c(Cl)nccc12 ZINC001589304961 953730301 /nfs/dbraw/zinc/73/03/01/953730301.db2.gz OOERRVIWCLBOAH-QWRGUYRKSA-N -1 0 347.802 3.605 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)c2ccnc(C3CC3)c2)c1Cl ZINC001594803967 953766419 /nfs/dbraw/zinc/76/64/19/953766419.db2.gz PGUKGQQHRMPKNP-UHFFFAOYSA-N -1 0 334.734 3.702 20 0 EHADRM CC/C=C/CNC(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000384824890 971960267 /nfs/dbraw/zinc/96/02/67/971960267.db2.gz FXDOZDRSTNNYEK-SNAWJCMRSA-N -1 0 341.205 3.543 20 0 EHADRM C[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1)c1cc2ccccc2s1 ZINC000626761406 953813511 /nfs/dbraw/zinc/81/35/11/953813511.db2.gz WEKUYQTUKUCASX-MBNYWOFBSA-N -1 0 346.452 3.715 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)Nc2scc(-c3cnn(C)c3)c2C(=O)[O-])C1 ZINC001589314584 953821082 /nfs/dbraw/zinc/82/10/82/953821082.db2.gz HJFXIGFLIFFUQH-MNOVXSKESA-N -1 0 347.440 3.612 20 0 EHADRM CC[C@H](c1ccccc1OC)N(C)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000630295854 953851310 /nfs/dbraw/zinc/85/13/10/953851310.db2.gz NMBFKRMYVRMOFW-MRXNPFEDSA-N -1 0 327.380 3.617 20 0 EHADRM CC(C)c1nc2cc(NC(=O)N3CC[C@H](C(=O)[O-])[C@H](C)C3)ccc2o1 ZINC000630560183 953859702 /nfs/dbraw/zinc/85/97/02/953859702.db2.gz AEWIITMMHWNVLL-YPMHNXCESA-N -1 0 345.399 3.526 20 0 EHADRM Cc1c(NC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)cccc1C(F)(F)F ZINC000630563431 953861838 /nfs/dbraw/zinc/86/18/38/953861838.db2.gz KHVKXFUMBCBGRZ-ONGXEEELSA-N -1 0 344.333 3.588 20 0 EHADRM CN(C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)c1cccc(O)c1 ZINC001593680687 953948332 /nfs/dbraw/zinc/94/83/32/953948332.db2.gz MUMIWYMASRMJNK-UHFFFAOYSA-N -1 0 338.722 3.551 20 0 EHADRM CC(C)c1ccc(OC2CCN(C(=O)[C@H](C(=O)[O-])C(C)C)CC2)cc1 ZINC000649454009 953995150 /nfs/dbraw/zinc/99/51/50/953995150.db2.gz IBZUQBFRHFMWQK-GOSISDBHSA-N -1 0 347.455 3.537 20 0 EHADRM O=C([O-])[C@H](C(=O)Oc1cccc(-c2ccncc2)c1)C1CCCC1 ZINC001594838876 954059432 /nfs/dbraw/zinc/05/94/32/954059432.db2.gz CPZAKQAZRKIKCC-QGZVFWFLSA-N -1 0 325.364 3.545 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)CCCc1csc2ccccc12 ZINC000653317271 954141481 /nfs/dbraw/zinc/14/14/81/954141481.db2.gz PZYMPXFGYFJGCF-IUODEOHRSA-N -1 0 331.437 3.688 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)N(CC(=O)[O-])CC2CC2)cc1 ZINC000653326736 954153176 /nfs/dbraw/zinc/15/31/76/954153176.db2.gz JXHYKEGUTQMADT-UHFFFAOYSA-N -1 0 329.421 3.660 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)[C@@H](c2ccccc2)C2CC2)c2ccccc21 ZINC000653327912 954155819 /nfs/dbraw/zinc/15/58/19/954155819.db2.gz BEYBTSXDBLWWFT-QYZOEREBSA-N -1 0 335.403 3.610 20 0 EHADRM Cc1ccc(CCC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c(C)c1 ZINC000653332903 954163916 /nfs/dbraw/zinc/16/39/16/954163916.db2.gz JUIQZXBCNQWAIJ-MOPGFXCFSA-N -1 0 337.419 3.665 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)C(=O)[O-] ZINC000655565553 954204146 /nfs/dbraw/zinc/20/41/46/954204146.db2.gz KDKIGOBFIYPCNS-SNVBAGLBSA-N -1 0 343.210 3.561 20 0 EHADRM C[C@H](CC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccc(F)cc1 ZINC000655581015 954221599 /nfs/dbraw/zinc/22/15/99/954221599.db2.gz HZYFFTLCFYJGGA-GUYJKWIASA-N -1 0 335.419 3.571 20 0 EHADRM CSCC1CCC(NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)CC1 ZINC000385401517 971998319 /nfs/dbraw/zinc/99/83/19/971998319.db2.gz WHFJIMGUYYSWAI-UHFFFAOYSA-N -1 0 340.420 3.567 20 0 EHADRM C[C@@H](NC(=O)NC[C@H](C)C(=O)[O-])c1ccccc1Oc1ccccc1 ZINC000655867486 954254025 /nfs/dbraw/zinc/25/40/25/954254025.db2.gz XAOBOBSBEPETQZ-UONOGXRCSA-N -1 0 342.395 3.560 20 0 EHADRM C[C@@H]1CN(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)[C@@H]2CCCC[C@H]21 ZINC001589377708 954278201 /nfs/dbraw/zinc/27/82/01/954278201.db2.gz RRSYCKLAOTUFTD-LTCQIXDTSA-N -1 0 342.439 3.520 20 0 EHADRM CC(C)C1(C)CCN(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1 ZINC000655901802 954283083 /nfs/dbraw/zinc/28/30/83/954283083.db2.gz HDTSRQXNSHFLBB-SOUVJXGZSA-N -1 0 338.492 3.590 20 0 EHADRM C[C@@H](NC(=O)C1(C(=O)[O-])CC=CC1)c1cc(F)c(Cl)cc1Cl ZINC000656848639 954307036 /nfs/dbraw/zinc/30/70/36/954307036.db2.gz PNDHETGZYUODKQ-MRVPVSSYSA-N -1 0 346.185 3.731 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc3cccc(Cl)c3s2)CC[C@@H]1C(=O)[O-] ZINC001589393476 954352022 /nfs/dbraw/zinc/35/20/22/954352022.db2.gz YYRSSOCTVLUOKT-KOLCDFICSA-N -1 0 337.828 3.738 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)Nc1ccccc1COc1ccccc1 ZINC001593746110 954388003 /nfs/dbraw/zinc/38/80/03/954388003.db2.gz JQYIVZNPTZCRPZ-UHFFFAOYSA-N -1 0 342.395 3.594 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)c2)oc1C ZINC000663034841 954409031 /nfs/dbraw/zinc/40/90/31/954409031.db2.gz UKAHIPGCWSYUCX-CQSZACIVSA-N -1 0 330.384 3.644 20 0 EHADRM C[C@H]1CCCN(C(=O)c2ccc(OCC(=O)[O-])cc2)c2ccccc21 ZINC000663043281 954415999 /nfs/dbraw/zinc/41/59/99/954415999.db2.gz DDVGCNMLUNVTLV-AWEZNQCLSA-N -1 0 339.391 3.694 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc(Cl)cc3ccccc32)C[C@H]1C(=O)[O-] ZINC000663057175 954426872 /nfs/dbraw/zinc/42/68/72/954426872.db2.gz GKERFDLOPMBKBK-MEDUHNTESA-N -1 0 331.799 3.676 20 0 EHADRM O=C([O-])C1(c2noc(-c3cc(F)c(C(F)(F)F)cc3F)n2)CCC1 ZINC001594884766 954451433 /nfs/dbraw/zinc/45/14/33/954451433.db2.gz NLEDEICBIAMKOV-UHFFFAOYSA-N -1 0 348.227 3.540 20 0 EHADRM CN(Cc1cccc2ccccc21)C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001593759786 954474070 /nfs/dbraw/zinc/47/40/70/954474070.db2.gz KEYCTLPHUDIMMF-UHFFFAOYSA-N -1 0 335.363 3.597 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1 ZINC000679096862 954589876 /nfs/dbraw/zinc/58/98/76/954589876.db2.gz MCOPYGWEGHKCLZ-LIRRHRJNSA-N -1 0 337.419 3.563 20 0 EHADRM CC/C(=C\C(=O)NCc1ccc(C(=O)[O-])cc1)c1ccc(OC)cc1 ZINC001589420507 954598331 /nfs/dbraw/zinc/59/83/31/954598331.db2.gz USGKUZZAOLJEFW-NTCAYCPXSA-N -1 0 339.391 3.503 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)C(=O)c1ccc(OCC2CCCCC2)cc1 ZINC001589437492 954691377 /nfs/dbraw/zinc/69/13/77/954691377.db2.gz IAUUTRHCEYDXDY-QGZVFWFLSA-N -1 0 333.428 3.581 20 0 EHADRM O=C([O-])Cc1ccccc1CNC(=O)Nc1cccc2ccsc21 ZINC000386181860 972034336 /nfs/dbraw/zinc/03/43/36/972034336.db2.gz ABYFBDZMILEFHB-UHFFFAOYSA-N -1 0 340.404 3.850 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)Nc2cccc(C(F)F)c2)C1 ZINC000386231226 972037780 /nfs/dbraw/zinc/03/77/80/972037780.db2.gz MISUZJLHOUNTSJ-GFCCVEGCSA-N -1 0 340.370 3.979 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)NCCc1ccc(Cl)c(Cl)c1 ZINC001589474355 954948552 /nfs/dbraw/zinc/94/85/52/954948552.db2.gz WYDVFHGQJHWHRO-UHFFFAOYSA-N -1 0 332.227 3.543 20 0 EHADRM O=C([O-])[C@@H]1CN(Cc2nccc(Cl)c2Cl)Cc2ccccc21 ZINC001594954936 954984370 /nfs/dbraw/zinc/98/43/70/954984370.db2.gz ILLLVCUZKXUUEC-GFCCVEGCSA-N -1 0 337.206 3.572 20 0 EHADRM CCC(CC)(CNC(=O)N[C@@H](c1ccc(C)cc1)C1CC1)C(=O)[O-] ZINC001589489600 955012730 /nfs/dbraw/zinc/01/27/30/955012730.db2.gz YWLWJOBPFRQFTM-INIZCTEOSA-N -1 0 332.444 3.636 20 0 EHADRM CCC(CC)(CNC(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1)C(=O)[O-] ZINC001589489604 955012741 /nfs/dbraw/zinc/01/27/41/955012741.db2.gz ZIXFDIYKPGIKSB-IRXDYDNUSA-N -1 0 346.471 3.588 20 0 EHADRM CCC(CC)(CNC(=O)NCc1ccccc1CC(C)C)C(=O)[O-] ZINC001589496380 955017772 /nfs/dbraw/zinc/01/77/72/955017772.db2.gz KMYQSKIUYWZIKP-UHFFFAOYSA-N -1 0 334.460 3.575 20 0 EHADRM CCC(CC)[C@@H](NC(=O)NCC1(C(=O)[O-])CCC1)c1ccccc1 ZINC001589510420 955047413 /nfs/dbraw/zinc/04/74/13/955047413.db2.gz OSZFETBPTHGENO-MRXNPFEDSA-N -1 0 332.444 3.718 20 0 EHADRM CC[C@@H](CNC(=O)c1cc(C)cc(C(=O)[O-])c1)Oc1ccccc1C ZINC001589549486 955211129 /nfs/dbraw/zinc/21/11/29/955211129.db2.gz UBPNMNOPOMGJCC-KRWDZBQOSA-N -1 0 341.407 3.589 20 0 EHADRM O=C([O-])c1ccc(Cl)cc1OCc1cn2cc(Cl)ccc2n1 ZINC000386885429 972088520 /nfs/dbraw/zinc/08/85/20/972088520.db2.gz GDSRIUHBXSANNX-UHFFFAOYSA-N -1 0 337.162 3.918 20 0 EHADRM Cc1nc(NC(=O)NCCC(C)(C)C(=O)[O-])sc1-c1ccccc1 ZINC000818622684 955405989 /nfs/dbraw/zinc/40/59/89/955405989.db2.gz BJNYHYRXKBBOON-UHFFFAOYSA-N -1 0 347.440 3.741 20 0 EHADRM CC(C)C[C@@H](NC(=O)CCCc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001603036370 972097324 /nfs/dbraw/zinc/09/73/24/972097324.db2.gz IOSVHZIIRPLUMP-CQSZACIVSA-N -1 0 345.361 3.644 20 0 EHADRM C[C@@H](CNC(=O)[C@]1(C(=O)[O-])CC1(C)C)c1c(Cl)cccc1Cl ZINC001589042987 955595268 /nfs/dbraw/zinc/59/52/68/955595268.db2.gz CZFRQWCEIHRQDA-FVMDXXJSSA-N -1 0 344.238 3.714 20 0 EHADRM C[C@H](CCNC(=O)CCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000844246764 955660823 /nfs/dbraw/zinc/66/08/23/955660823.db2.gz RPQJTTXCCTVEQQ-LLVKDONJSA-N -1 0 331.334 3.570 20 0 EHADRM C[C@@](CNc1nc(-c2ccccc2)ns1)(C(=O)[O-])c1ccccc1 ZINC001589072301 955786350 /nfs/dbraw/zinc/78/63/50/955786350.db2.gz WASFFCCIUFIXTN-SFHVURJKSA-N -1 0 339.420 3.660 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)N(C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001589080481 955845425 /nfs/dbraw/zinc/84/54/25/955845425.db2.gz AHEQQJCPTZQWRR-LBPRGKRZSA-N -1 0 330.359 3.619 20 0 EHADRM CO[C@@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)c1ccccc1 ZINC001593901355 955871623 /nfs/dbraw/zinc/87/16/23/955871623.db2.gz XARKUPFZBYYJHN-CQSZACIVSA-N -1 0 337.734 3.504 20 0 EHADRM C[C@@H](NC(=O)[C@@]1(C(=O)[O-])CC1(C)C)c1cccc(Cl)c1Cl ZINC001589089149 955922373 /nfs/dbraw/zinc/92/23/73/955922373.db2.gz FGASPWSFTKOEQF-ANRSDYALSA-N -1 0 330.211 3.672 20 0 EHADRM COc1ccc([C@@H](NC(=O)/C=C/c2ccc(C(=O)[O-])o2)C(C)C)cc1 ZINC000864101157 955931572 /nfs/dbraw/zinc/93/15/72/955931572.db2.gz LWDJKUKTFSMMGE-CKDFRHGISA-N -1 0 343.379 3.513 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N2CCCCC[C@@H]2c2ccco2)o1 ZINC000864111296 955938632 /nfs/dbraw/zinc/93/86/32/955938632.db2.gz ZEVJREDLDNAAQQ-QSYFUGGGSA-N -1 0 329.352 3.728 20 0 EHADRM CC(C)C[C@H](C)n1nccc1NC(=O)NCc1ccccc1C(=O)[O-] ZINC000864602461 956002862 /nfs/dbraw/zinc/00/28/62/956002862.db2.gz WIKXMSLMKDQRGM-ZDUSSCGKSA-N -1 0 344.415 3.510 20 0 EHADRM CC(C)Oc1cc(F)ccc1NC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC001603080547 972152632 /nfs/dbraw/zinc/15/26/32/972152632.db2.gz VDCLPBMZAGJJSF-INIZCTEOSA-N -1 0 346.358 3.560 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(F)(F)F)s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589117438 956102255 /nfs/dbraw/zinc/10/22/55/956102255.db2.gz DDYHGXLBJUWJLH-XHNCKOQMSA-N -1 0 349.374 3.632 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)Nc1ccnc(C(=O)[O-])c1)CC2 ZINC001603107189 972184567 /nfs/dbraw/zinc/18/45/67/972184567.db2.gz YYUUJIPZBCLIQZ-INIZCTEOSA-N -1 0 339.395 3.712 20 0 EHADRM C[C@@H](SCC(=O)Nc1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC001589170017 956467910 /nfs/dbraw/zinc/46/79/10/956467910.db2.gz WPZNQAUFXWVFSR-GFCCVEGCSA-N -1 0 331.393 3.624 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001589173272 956475982 /nfs/dbraw/zinc/47/59/82/956475982.db2.gz VPRBVVSLRDVFJI-VIFPVBQESA-N -1 0 336.800 3.553 20 0 EHADRM Cc1ccc(C[C@@H]2CCCN2C(=O)c2coc(/C=C/C(=O)[O-])c2)cc1 ZINC000901847963 956500200 /nfs/dbraw/zinc/50/02/00/956500200.db2.gz OUXIDVQQHFTWCU-IJDCCNJMSA-N -1 0 339.391 3.533 20 0 EHADRM CCCCN(C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1)[C@@H](C)c1ccccc1 ZINC000901851749 956502302 /nfs/dbraw/zinc/50/23/02/956502302.db2.gz JLWBJZMOWKGBNM-RYQLBKOJSA-N -1 0 347.455 3.646 20 0 EHADRM C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001589176736 956509033 /nfs/dbraw/zinc/50/90/33/956509033.db2.gz JFIIZAQPDZBTJL-CZUORRHYSA-N -1 0 339.395 3.580 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)Nc2ccc3ccnc(Cl)c3c2)CC1 ZINC001589192704 956601640 /nfs/dbraw/zinc/60/16/40/956601640.db2.gz ADJWVKVUNAUXCN-UHFFFAOYSA-N -1 0 347.802 3.607 20 0 EHADRM O=C(/C=C\c1ccc(C(=O)[O-])o1)Nc1ccc2c(c1)C(=O)CCCC2 ZINC001594673171 956633987 /nfs/dbraw/zinc/63/39/87/956633987.db2.gz DKJLGSNDHGPZIL-NTMALXAHSA-N -1 0 339.347 3.539 20 0 EHADRM O=C([O-])c1cncc(NC(=O)/C=C/c2ccsc2C(F)(F)F)c1 ZINC001594675491 956656869 /nfs/dbraw/zinc/65/68/69/956656869.db2.gz WWTDORLPEKWILW-OWOJBTEDSA-N -1 0 342.298 3.512 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NCC1(c2cccc(F)c2)CCC1 ZINC001589204842 956657401 /nfs/dbraw/zinc/65/74/01/956657401.db2.gz OLJYTJDWJYANFV-UHFFFAOYSA-N -1 0 347.430 3.501 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2Cl)CC[C@@H]1C(=O)[O-] ZINC000902175465 956675689 /nfs/dbraw/zinc/67/56/89/956675689.db2.gz DYBFJYUFGSFNQK-SCZZXKLOSA-N -1 0 349.736 3.542 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)Oc1cccc(-c2ccccn2)c1 ZINC001594710461 956878322 /nfs/dbraw/zinc/87/83/22/956878322.db2.gz WCHNNJYDHCQJJB-UHFFFAOYSA-N -1 0 333.343 3.595 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)SCc1ccccc1 ZINC000008906592 956887978 /nfs/dbraw/zinc/88/79/78/956887978.db2.gz IXPXPSBJJRYIAW-ZDUSSCGKSA-N -1 0 329.421 3.954 20 0 EHADRM Cc1ccc(C(C)C)c(OS(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000013075380 956927892 /nfs/dbraw/zinc/92/78/92/956927892.db2.gz MDKLHRYXQQOTGG-UHFFFAOYSA-N -1 0 334.393 3.584 20 0 EHADRM C[C@@]1(NC(=O)Nc2ccccc2CC(=O)[O-])CCCc2ccccc21 ZINC001589246611 956930691 /nfs/dbraw/zinc/93/06/91/956930691.db2.gz RIQXJLUSOSYXAA-HXUWFJFHSA-N -1 0 338.407 3.687 20 0 EHADRM COc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2C)ccc1OC(C)C ZINC000013169805 956952949 /nfs/dbraw/zinc/95/29/49/956952949.db2.gz ITAOHUHFCAUAFY-UHFFFAOYSA-N -1 0 343.379 3.741 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000013171341 956955280 /nfs/dbraw/zinc/95/52/80/956955280.db2.gz FHCLAJZZGJJROV-UHFFFAOYSA-N -1 0 336.303 3.699 20 0 EHADRM CC[C@H](CNC(=O)Nc1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000905055644 956963891 /nfs/dbraw/zinc/96/38/91/956963891.db2.gz IQKJXSGFPKDEDP-SSDOTTSWSA-N -1 0 338.713 3.591 20 0 EHADRM COCCN(CCC(=O)[O-])C(=O)Nc1cccc(C2CCCCC2)c1 ZINC001594005868 956973819 /nfs/dbraw/zinc/97/38/19/956973819.db2.gz LKKVMRGDWLCMMR-UHFFFAOYSA-N -1 0 348.443 3.689 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)Oc2cc(C(=O)[O-])ccc2C)cc1 ZINC000013269755 957005756 /nfs/dbraw/zinc/00/57/56/957005756.db2.gz XALIKCTUSUERCH-GFCCVEGCSA-N -1 0 348.420 3.974 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c2ccccc21 ZINC001594726882 957015079 /nfs/dbraw/zinc/01/50/79/957015079.db2.gz PBENJRUUIIMCCV-XMTFNYHQSA-N -1 0 342.439 3.568 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)Oc2cccc(C(=O)[O-])c2)cc1 ZINC000013341921 957027691 /nfs/dbraw/zinc/02/76/91/957027691.db2.gz LZOCOJZVCDWSLP-GFCCVEGCSA-N -1 0 334.393 3.666 20 0 EHADRM CSc1ccccc1NC(=O)[C@@H](C)Oc1ccc(C(=O)[O-])cc1 ZINC000013412914 957055188 /nfs/dbraw/zinc/05/51/88/957055188.db2.gz ONMAUQOBNOIBEY-LLVKDONJSA-N -1 0 331.393 3.513 20 0 EHADRM CC(C)C[C@@H](NC(=O)COc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000013419210 957058796 /nfs/dbraw/zinc/05/87/96/957058796.db2.gz GSFLCHAZSPTPPQ-GOSISDBHSA-N -1 0 341.407 3.667 20 0 EHADRM CC[C@H](C)c1ccc(NC(=O)COc2ccc(CC(=O)[O-])cc2)cc1 ZINC000013420749 957064829 /nfs/dbraw/zinc/06/48/29/957064829.db2.gz BKFXFSGYNJAIQP-AWEZNQCLSA-N -1 0 341.407 3.845 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)c1cc2c(s1)CCCC2 ZINC000013428701 957068787 /nfs/dbraw/zinc/06/87/87/957068787.db2.gz SKGKTWRUPMGPCP-UHFFFAOYSA-N -1 0 343.448 3.744 20 0 EHADRM CCOc1ccc(NC(=S)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000013813021 957095790 /nfs/dbraw/zinc/09/57/90/957095790.db2.gz DZPSLFCSAKHHCX-UHFFFAOYSA-N -1 0 330.409 3.901 20 0 EHADRM Cc1ccccc1-c1nn(-c2ccccc2)cc1/C=C(\C#N)C(=O)[O-] ZINC000023738283 957159292 /nfs/dbraw/zinc/15/92/92/957159292.db2.gz SYLJVPKMKLOFEZ-RVDMUPIBSA-N -1 0 329.359 3.839 20 0 EHADRM O=C([O-])CC1(CC(=O)N2CC=C(c3ccc(F)cc3)CC2)CCCC1 ZINC000034195187 957191214 /nfs/dbraw/zinc/19/12/14/957191214.db2.gz RRIRAOVDVHCJJE-UHFFFAOYSA-N -1 0 345.414 3.867 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)N1CCC[C@H](CCC(=O)[O-])C1)C1CC1 ZINC001121810600 957208540 /nfs/dbraw/zinc/20/85/40/957208540.db2.gz LHZUOSJZFLPZSH-DNVCBOLYSA-N -1 0 344.455 3.733 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCOc2ccccc2Cl)s1 ZINC000035425237 957209789 /nfs/dbraw/zinc/20/97/89/957209789.db2.gz LXCHDEQOHFOVTO-UHFFFAOYSA-N -1 0 325.773 3.507 20 0 EHADRM Cc1ccc2[nH]c(C(=O)NC3CCC(C(=O)[O-])CC3)c(Cl)c2c1 ZINC001319845718 957304467 /nfs/dbraw/zinc/30/44/67/957304467.db2.gz JVXHZIUHNZWDGA-UHFFFAOYSA-N -1 0 334.803 3.503 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)NC[C@H](C)c1c(Cl)cccc1Cl ZINC001603167104 972264923 /nfs/dbraw/zinc/26/49/23/972264923.db2.gz XYYXOCIFQODIJY-JOYOIKCWSA-N -1 0 332.227 3.570 20 0 EHADRM CC(C)(C)SCC(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000047916730 957456369 /nfs/dbraw/zinc/45/63/69/957456369.db2.gz CCBCILNFRLNPAQ-UHFFFAOYSA-N -1 0 346.246 3.618 20 0 EHADRM C[C@H]1CCc2c(C(=O)Nc3ccc(C(=O)[O-])c(O)c3)csc2C1 ZINC000390237163 972271789 /nfs/dbraw/zinc/27/17/89/972271789.db2.gz AZODEXKLBTXXJO-VIFPVBQESA-N -1 0 331.393 3.529 20 0 EHADRM O=C([O-])CCCCCCNC(=O)C1(c2cccc(Cl)c2)CCC1 ZINC000390327728 972276253 /nfs/dbraw/zinc/27/62/53/972276253.db2.gz JOXVFWPTGHEUJU-UHFFFAOYSA-N -1 0 337.847 3.913 20 0 EHADRM CC(C)(CC(=O)[O-])Cc1nnc(-c2ccccc2Br)o1 ZINC000061827901 957586367 /nfs/dbraw/zinc/58/63/67/957586367.db2.gz QSBCIBOFCJQTRR-UHFFFAOYSA-N -1 0 339.189 3.543 20 0 EHADRM O=C([O-])c1cc(NC(=O)/C=C\c2cccc(Cl)c2)c(F)cc1F ZINC000390335625 972276937 /nfs/dbraw/zinc/27/69/37/972276937.db2.gz UNQFXXIEECWIPD-PLNGDYQASA-N -1 0 337.709 3.968 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000062872617 957616883 /nfs/dbraw/zinc/61/68/83/957616883.db2.gz OGTWOZODFZFLLW-CQSZACIVSA-N -1 0 331.199 3.712 20 0 EHADRM Cc1cc(Br)ccc1OC(=O)c1ccc(C(=O)[O-])cc1 ZINC001594273333 957686677 /nfs/dbraw/zinc/68/66/77/957686677.db2.gz CDIVWWXJBZPPGF-UHFFFAOYSA-N -1 0 335.153 3.675 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCC(OCC3CCCC3)CC2)c1 ZINC001594282757 957760337 /nfs/dbraw/zinc/76/03/37/957760337.db2.gz ZFONAYMZLFFDCF-UHFFFAOYSA-N -1 0 345.439 3.505 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3F)C2)c1 ZINC001594288386 957796351 /nfs/dbraw/zinc/79/63/51/957796351.db2.gz NHZAXRGUDLIYGC-FUKZOUPISA-N -1 0 345.345 3.647 20 0 EHADRM Cc1oc(CNC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000390577858 972294278 /nfs/dbraw/zinc/29/42/78/972294278.db2.gz DFNHVGLMHSCTRL-SECBINFHSA-N -1 0 336.775 3.500 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2F)cc1 ZINC001574791314 957814984 /nfs/dbraw/zinc/81/49/84/957814984.db2.gz VYXSEZSLEZUNMZ-MRXNPFEDSA-N -1 0 331.318 3.640 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(SC(F)(F)F)c2)nc1 ZINC001574796363 957822356 /nfs/dbraw/zinc/82/23/56/957822356.db2.gz LAGHAHGDEVXNRF-UHFFFAOYSA-N -1 0 342.298 3.644 20 0 EHADRM Cc1cc(C)c(CCNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)c(C)c1 ZINC001594291893 957830980 /nfs/dbraw/zinc/83/09/80/957830980.db2.gz AYVHKFGSUCOTTF-KRWDZBQOSA-N -1 0 348.487 3.591 20 0 EHADRM Cc1cc(C)cc(C2CCN(C(=O)NC[C@H](C(=O)[O-])C(C)C)CC2)c1 ZINC001594295123 957870485 /nfs/dbraw/zinc/87/04/85/957870485.db2.gz VRIDAVYSSZJNDN-SFHVURJKSA-N -1 0 346.471 3.549 20 0 EHADRM CC[C@H](NC(=O)N1CCCC[C@H]1CCC(=O)[O-])c1ccccc1OC ZINC001339813728 957885108 /nfs/dbraw/zinc/88/51/08/957885108.db2.gz WWKGKMLBAMXEFA-HOCLYGCPSA-N -1 0 348.443 3.575 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)OCc2nc(C3CCCCC3)cs2)C1 ZINC001574821817 957914849 /nfs/dbraw/zinc/91/48/49/957914849.db2.gz HBOUKUZMWCVQOB-OLZOCXBDSA-N -1 0 337.441 3.735 20 0 EHADRM Cc1cc(NC(=O)NC[C@H]2CCc3ccccc3C2)ccc1C(=O)[O-] ZINC001594319242 958108242 /nfs/dbraw/zinc/10/82/42/958108242.db2.gz FHDCTGAZWLSOIR-AWEZNQCLSA-N -1 0 338.407 3.620 20 0 EHADRM C[C@H](Cc1nc([C@@H](C)C(=O)[O-])no1)c1ccccc1C(F)(F)F ZINC001603208604 972321625 /nfs/dbraw/zinc/32/16/25/972321625.db2.gz XDRZQBHRFFBKKG-RKDXNWHRSA-N -1 0 328.290 3.623 20 0 EHADRM Cc1cc(OC(=O)[C@@H](C(=O)[O-])C2CCCC2)ccc1Br ZINC001594326762 958179935 /nfs/dbraw/zinc/17/99/35/958179935.db2.gz JFAIQCLZJNCFAG-CYBMUJFWSA-N -1 0 341.201 3.554 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1C(=O)N[C@H](C(=O)[O-])C(C)C ZINC001594328374 958194140 /nfs/dbraw/zinc/19/41/40/958194140.db2.gz PFCDHZZPIANWFL-KRWDZBQOSA-N -1 0 327.380 3.626 20 0 EHADRM Cc1ccc(-c2nc3ccccc3c(N(C)CCC(=O)[O-])n2)s1 ZINC001594335154 958257619 /nfs/dbraw/zinc/25/76/19/958257619.db2.gz CGTKTGUQNBJKDX-UHFFFAOYSA-N -1 0 327.409 3.578 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)c2cccc(Cl)c2F)c2ccccc21 ZINC000391385328 972332333 /nfs/dbraw/zinc/33/23/33/972332333.db2.gz NLQKGGQEUKBNBL-NSHDSACASA-N -1 0 333.746 3.698 20 0 EHADRM Cc1nc(-c2ccc(C)cc2)sc1C(=O)NC1(C(=O)[O-])CCCC1 ZINC001594335377 958259023 /nfs/dbraw/zinc/25/90/23/958259023.db2.gz PPTOCZMZXOYKQG-UHFFFAOYSA-N -1 0 344.436 3.554 20 0 EHADRM Cc1ccc(-c2cncc(C(=O)NC[C@H](CC(C)C)C(=O)[O-])c2)cc1 ZINC001594336128 958267675 /nfs/dbraw/zinc/26/76/75/958267675.db2.gz YTWOURHWKXEOJZ-SFHVURJKSA-N -1 0 340.423 3.534 20 0 EHADRM Cc1ccc(-c2ncco2)cc1NC(=O)C1(C(=O)[O-])CCCCC1 ZINC001594338196 958285003 /nfs/dbraw/zinc/28/50/03/958285003.db2.gz YOHIIAJKIYKFGA-UHFFFAOYSA-N -1 0 328.368 3.624 20 0 EHADRM Cc1ccc([C@@H](C)N(C)C(=O)Nc2ccnc(C(=O)[O-])c2)c(C)c1 ZINC001594349933 958341464 /nfs/dbraw/zinc/34/14/64/958341464.db2.gz RNLXOWWGIQYHJR-CYBMUJFWSA-N -1 0 327.384 3.622 20 0 EHADRM O=C([O-])c1ccc(-c2nnc(-c3ccccc3Br)o2)cc1 ZINC000109606838 958377704 /nfs/dbraw/zinc/37/77/04/958377704.db2.gz QDXHXHAMKGZXQG-UHFFFAOYSA-N -1 0 345.152 3.864 20 0 EHADRM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)NCC2(C(=O)[O-])CCC2)cc1 ZINC001594354339 958399121 /nfs/dbraw/zinc/39/91/21/958399121.db2.gz RVBYMIXLQFYUEU-WBVHZDCISA-N -1 0 344.455 3.733 20 0 EHADRM O=C([O-])[C@@]1(C(F)(F)F)CCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000111242165 958415536 /nfs/dbraw/zinc/41/55/36/958415536.db2.gz HSEYAICGTUHHJH-GFCCVEGCSA-N -1 0 342.144 3.832 20 0 EHADRM CCCc1ccccc1NC(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000391572370 972346796 /nfs/dbraw/zinc/34/67/96/972346796.db2.gz NHDSQNWFKZEMLM-UHFFFAOYSA-N -1 0 326.396 3.702 20 0 EHADRM O=C([O-])c1ccc(OC[C@H]2CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000391578836 972347698 /nfs/dbraw/zinc/34/76/98/972347698.db2.gz BUZIIQHUEJCDBV-CQSZACIVSA-N -1 0 327.336 3.792 20 0 EHADRM CSc1ccccc1NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000391617694 972351039 /nfs/dbraw/zinc/35/10/39/972351039.db2.gz FAWJSCHZMCQURH-UHFFFAOYSA-N -1 0 330.409 3.771 20 0 EHADRM COc1ccc2nc(NC(=O)c3cc(C)cc(C(=O)[O-])c3)sc2c1 ZINC001594117335 958560063 /nfs/dbraw/zinc/56/00/63/958560063.db2.gz LKRRQJNRZGUSDO-UHFFFAOYSA-N -1 0 342.376 3.564 20 0 EHADRM C[C@H](NC(=O)[C@]1(C(=O)[O-])C[C@H]1C)c1cccc(SC(F)(F)F)c1 ZINC001603233937 972359429 /nfs/dbraw/zinc/35/94/29/972359429.db2.gz DIMZOZSYBLTCNY-ITMYJUKJSA-N -1 0 347.358 3.587 20 0 EHADRM C[C@H](C(=O)Nc1ncccc1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001573363862 958609844 /nfs/dbraw/zinc/60/98/44/958609844.db2.gz NRTVBEOYEGBRGX-VIFPVBQESA-N -1 0 338.285 3.541 20 0 EHADRM COc1cccc(C[C@H](C)CC(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC001594126455 958642535 /nfs/dbraw/zinc/64/25/35/958642535.db2.gz PCSXIOXVKCPTAU-LBPRGKRZSA-N -1 0 345.370 3.740 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NCC1(Cc2ccccc2)CCCC1 ZINC001573389850 958688267 /nfs/dbraw/zinc/68/82/67/958688267.db2.gz FRZGDHVXULKAIV-MRXNPFEDSA-N -1 0 331.456 3.653 20 0 EHADRM Cc1cccc(C(=O)NCc2ccc(C(=O)[O-])cc2)c1C(F)(F)F ZINC001594388226 958693487 /nfs/dbraw/zinc/69/34/87/958693487.db2.gz ROSAIKJVJWQJPY-UHFFFAOYSA-N -1 0 337.297 3.642 20 0 EHADRM CCC1(C)CCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC000391765751 972369063 /nfs/dbraw/zinc/36/90/63/972369063.db2.gz FTQQMNVFAIFLCB-UHFFFAOYSA-N -1 0 326.343 3.707 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)c1cc(F)c(Cl)cc1F)C(=O)[O-] ZINC001573394944 958712462 /nfs/dbraw/zinc/71/24/62/958712462.db2.gz JOYFGRPFEIJNQY-GFCCVEGCSA-N -1 0 333.762 3.628 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1)C(=O)[O-] ZINC001573395409 958715519 /nfs/dbraw/zinc/71/55/19/958715519.db2.gz MVYYFJDZSYVKEZ-XHSDSOJGSA-N -1 0 335.419 3.715 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2[nH]ccc2-c2ccccc2)C(=O)[O-])c1 ZINC001594391877 958736976 /nfs/dbraw/zinc/73/69/76/958736976.db2.gz CASMLBSNCKDNQY-QGZVFWFLSA-N -1 0 334.375 3.546 20 0 EHADRM CC(C)(C)N(Cc1ccsc1)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC001573407745 958746196 /nfs/dbraw/zinc/74/61/96/958746196.db2.gz ZXVLIOXOUWSKLU-UHFFFAOYSA-N -1 0 347.436 3.652 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)c1ccns1 ZINC001603236708 972373649 /nfs/dbraw/zinc/37/36/49/972373649.db2.gz NNFMBFWOJOCBIO-ZCFIWIBFSA-N -1 0 343.767 3.517 20 0 EHADRM CCC[C@H](CC)NC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000132544384 958788525 /nfs/dbraw/zinc/78/85/25/958788525.db2.gz COLJZVPZSXHZPO-VIFPVBQESA-N -1 0 343.221 3.848 20 0 EHADRM Cc1ccc(C)c(SCC(=O)NCC2(CC(=O)[O-])CCCCC2)c1 ZINC000391891638 972387218 /nfs/dbraw/zinc/38/72/18/972387218.db2.gz AIEGNHXUKKLMQR-UHFFFAOYSA-N -1 0 349.496 3.937 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2ccc(C(F)(F)F)cc2)CCCCC1 ZINC000391893437 972387823 /nfs/dbraw/zinc/38/78/23/972387823.db2.gz BDWSCBLQCMYEJC-UHFFFAOYSA-N -1 0 343.345 3.860 20 0 EHADRM Cc1cccc(Oc2ccccc2CNC(=O)[C@H](C(=O)[O-])C2CC2)c1 ZINC001594409384 958933286 /nfs/dbraw/zinc/93/32/86/958933286.db2.gz AWIIVBZDEXZWLR-GOSISDBHSA-N -1 0 339.391 3.514 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(c2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000391920739 972390185 /nfs/dbraw/zinc/39/01/85/972390185.db2.gz BOVRHUXOJIGUMO-JTQLQIEISA-N -1 0 328.315 3.614 20 0 EHADRM CCCC[C@H](CCC)NC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000391939878 972393387 /nfs/dbraw/zinc/39/33/87/972393387.db2.gz NKHYYCXILHILID-GJZGRUSLSA-N -1 0 326.481 3.878 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)NCC(C)(C)c1ccc2ccccc2c1 ZINC001573490109 959013214 /nfs/dbraw/zinc/01/32/14/959013214.db2.gz VXJMMIGGLDZMOD-QGZVFWFLSA-N -1 0 327.424 3.590 20 0 EHADRM C[C@H](C(=O)NC1(C(=O)[O-])CCCCCC1)c1cn(C)c2ccccc12 ZINC001588552254 959033579 /nfs/dbraw/zinc/03/35/79/959033579.db2.gz PUPOHHDPLAAJAO-AWEZNQCLSA-N -1 0 342.439 3.576 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)CC1 ZINC000154767900 959040075 /nfs/dbraw/zinc/04/00/75/959040075.db2.gz ZJYSGVRKZNBPOP-UHFFFAOYSA-N -1 0 331.755 3.936 20 0 EHADRM CC(C)[C@@H](NC(=O)c1coc(/C=C\C(=O)[O-])c1)c1ccccc1F ZINC001573498637 959042004 /nfs/dbraw/zinc/04/20/04/959042004.db2.gz FELJOGVBJIJSJT-ZPUOCTKUSA-N -1 0 331.343 3.644 20 0 EHADRM CC(C)[C@H]1CCCCCN1C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001573502906 959075463 /nfs/dbraw/zinc/07/54/63/959075463.db2.gz VUUFFPOMFVWIBS-YLJYHZDGSA-N -1 0 346.471 3.639 20 0 EHADRM CC(C)COc1cccc(NC(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC001573525062 959142128 /nfs/dbraw/zinc/14/21/28/959142128.db2.gz VPUUGHDNYSRNJY-UHFFFAOYSA-N -1 0 342.395 3.741 20 0 EHADRM CCc1cccc(C)c1NC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000392064462 972405548 /nfs/dbraw/zinc/40/55/48/972405548.db2.gz XQUHLOWFNGNUSC-OAHLLOKOSA-N -1 0 332.444 3.912 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)Nc1cc(Cl)ccc1F)CC2 ZINC000392077007 972406349 /nfs/dbraw/zinc/40/63/49/972406349.db2.gz YCCMTYHYOFFLQD-UHFFFAOYSA-N -1 0 348.761 3.768 20 0 EHADRM CC(C)N(Cc1ccccc1F)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001573547533 959218441 /nfs/dbraw/zinc/21/84/41/959218441.db2.gz RNZXBPRILTVLDE-CSKARUKUSA-N -1 0 331.343 3.567 20 0 EHADRM CC(C)[C@@H](NC(=O)Nc1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC001573558422 959260148 /nfs/dbraw/zinc/26/01/48/959260148.db2.gz MHMQQKHNLJRWHM-SNVBAGLBSA-N -1 0 338.713 3.590 20 0 EHADRM C[C@@H](NC(=O)Nc1ccnc(C(=O)[O-])c1)c1ccc2c(c1)CCCC2 ZINC001594203679 959261588 /nfs/dbraw/zinc/26/15/88/959261588.db2.gz GXOQPHZSBPJLDF-GFCCVEGCSA-N -1 0 339.395 3.541 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1ccc3ccccc3c1)CC2 ZINC000165257333 959275607 /nfs/dbraw/zinc/27/56/07/959275607.db2.gz HOZCAHUOEBDZHO-UHFFFAOYSA-N -1 0 331.371 3.737 20 0 EHADRM O=C([O-])c1cc(NCc2cncc(Br)c2)ccc1Cl ZINC000166073348 959299257 /nfs/dbraw/zinc/29/92/57/959299257.db2.gz PIQLWZFYCYGDRI-UHFFFAOYSA-N -1 0 341.592 3.808 20 0 EHADRM Cc1cccc(NC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1Cl ZINC000392164083 972418467 /nfs/dbraw/zinc/41/84/67/972418467.db2.gz CSHNYFUAWITSPN-AWEZNQCLSA-N -1 0 344.798 3.864 20 0 EHADRM Cc1nc(C)c(Br)c(N[C@H](CCC(C)(C)C)C(=O)[O-])n1 ZINC001594449093 959345858 /nfs/dbraw/zinc/34/58/58/959345858.db2.gz FRAKOZFSVSAZDH-SNVBAGLBSA-N -1 0 344.253 3.547 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1nc(C(C)(C)C)cs1 ZINC000180001818 959436223 /nfs/dbraw/zinc/43/62/23/959436223.db2.gz XJQNWLWTWZSBQZ-SRVKXCTJSA-N -1 0 338.473 3.509 20 0 EHADRM O=C([O-])c1coc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000183324101 959445610 /nfs/dbraw/zinc/44/56/10/959445610.db2.gz KUMBCXJIIMBDQA-UHFFFAOYSA-N -1 0 333.649 3.902 20 0 EHADRM O=C([O-])c1coc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c1 ZINC000183326323 959446605 /nfs/dbraw/zinc/44/66/05/959446605.db2.gz HICGHTZCYWCPQB-UHFFFAOYSA-N -1 0 335.359 3.820 20 0 EHADRM C[C@@H](NC(=O)c1cc(C(=O)[O-])co1)c1nc(-c2ccccc2)cs1 ZINC000183787046 959448277 /nfs/dbraw/zinc/44/82/77/959448277.db2.gz PFBAJPFGQYDVAW-SNVBAGLBSA-N -1 0 342.376 3.592 20 0 EHADRM Cc1nc2cccc(Cl)c2cc1C(=O)Nc1ncccc1C(=O)[O-] ZINC001594464748 959500899 /nfs/dbraw/zinc/50/08/99/959500899.db2.gz SLZQOXFIRCDDSS-UHFFFAOYSA-N -1 0 341.754 3.542 20 0 EHADRM C[C@H](NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(-c2ccccc2)cc1 ZINC001594235610 959509188 /nfs/dbraw/zinc/50/91/88/959509188.db2.gz UBSBZHGUSOPONJ-DOPJRALCSA-N -1 0 338.407 3.577 20 0 EHADRM Cc1cccc(OCCC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c1C ZINC000392259721 972435253 /nfs/dbraw/zinc/43/52/53/972435253.db2.gz FMCMWUBMUQAIGJ-UHFFFAOYSA-N -1 0 349.333 3.687 20 0 EHADRM CC[C@@H](C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1)c1ccc(F)cc1 ZINC000190888689 959527685 /nfs/dbraw/zinc/52/76/85/959527685.db2.gz VZCRUANJNJBPAX-OAHLLOKOSA-N -1 0 333.359 3.578 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)CCc2ccc3[nH]ccc3c2)cc1 ZINC000191018981 959536972 /nfs/dbraw/zinc/53/69/72/959536972.db2.gz XCWQSQFWVIEGIZ-UHFFFAOYSA-N -1 0 336.391 3.756 20 0 EHADRM C[C@H](NC(=O)c1coc(/C=C/C(=O)[O-])c1)c1c(F)cccc1Cl ZINC001573625882 959541229 /nfs/dbraw/zinc/54/12/29/959541229.db2.gz WTISGTJBMPUCRQ-CYNONHLPSA-N -1 0 337.734 3.661 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)COc2ccccc2Cl)cc1)C(=O)[O-] ZINC000191391848 959557380 /nfs/dbraw/zinc/55/73/80/959557380.db2.gz LGDVKWXYCBKQDG-GFCCVEGCSA-N -1 0 347.798 3.621 20 0 EHADRM Cc1ccc2cc(C(=O)Nc3ccc(C[C@@H](C)C(=O)[O-])cc3)[nH]c2c1 ZINC000191413473 959562844 /nfs/dbraw/zinc/56/28/44/959562844.db2.gz JBDDIRWLBOZLLZ-CYBMUJFWSA-N -1 0 336.391 3.992 20 0 EHADRM CCCOc1cccc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC000191431261 959568069 /nfs/dbraw/zinc/56/80/69/959568069.db2.gz RGXCQELFLDEVNZ-AWEZNQCLSA-N -1 0 341.407 3.991 20 0 EHADRM Cc1cc(C(=O)NCC2(C(=O)[O-])CCCCC2)c(Cl)cc1F ZINC000191495215 959572172 /nfs/dbraw/zinc/57/21/72/959572172.db2.gz LSIDZNMXTTZKJS-UHFFFAOYSA-N -1 0 327.783 3.552 20 0 EHADRM Cc1ccc(C)c(C(=O)CCC(=O)Nc2cc(C(=O)[O-])ccc2F)c1 ZINC000192893811 959597023 /nfs/dbraw/zinc/59/70/23/959597023.db2.gz MDQVKBGDYKTVKZ-UHFFFAOYSA-N -1 0 343.354 3.742 20 0 EHADRM C[C@H](c1ccc(C(=O)Nc2ccc(C(=O)[O-])cn2)cc1)C(F)(F)F ZINC001573642984 959625072 /nfs/dbraw/zinc/62/50/72/959625072.db2.gz LZBSXHCHNQZPMM-SECBINFHSA-N -1 0 338.285 3.698 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC001588634621 959641445 /nfs/dbraw/zinc/64/14/45/959641445.db2.gz DACYIBQJSDLJRI-HOTGVXAUSA-N -1 0 333.403 3.625 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001573655139 959664706 /nfs/dbraw/zinc/66/47/06/959664706.db2.gz AXTRGYSFTUIOML-MNOVXSKESA-N -1 0 349.393 3.608 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)[C@H]1CC(C)(C)Oc2ccccc21)C(=O)[O-] ZINC001588644979 959725729 /nfs/dbraw/zinc/72/57/29/959725729.db2.gz GSPLVBZVBZIGGE-LSDHHAIUSA-N -1 0 347.455 3.727 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)C12CC(c3ccccc3)(C1)C2)C(=O)[O-] ZINC001588645150 959727128 /nfs/dbraw/zinc/72/71/28/959727128.db2.gz IKZHUMOOAQRYNR-VMEOHVCESA-N -1 0 329.440 3.504 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)OC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001594269157 959782238 /nfs/dbraw/zinc/78/22/38/959782238.db2.gz YGICYGBJBFDOTP-MJBXVCDLSA-N -1 0 346.379 3.615 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2coc(/C=C/C(=O)[O-])c2)C1 ZINC001573701795 959837882 /nfs/dbraw/zinc/83/78/82/959837882.db2.gz SAKADAXBDSPJFD-CIGRPSKPSA-N -1 0 325.364 3.601 20 0 EHADRM Cc1ccc(CN(C)Cc2ccc(C(=O)[O-])cc2Br)o1 ZINC000226719731 959895545 /nfs/dbraw/zinc/89/55/45/959895545.db2.gz RNQJDHQYRQBHFF-UHFFFAOYSA-N -1 0 338.201 3.681 20 0 EHADRM O=C([O-])c1cc(Br)cc(OCc2ccccc2F)c1 ZINC000227683097 959965499 /nfs/dbraw/zinc/96/54/99/959965499.db2.gz XIEXHICWEVKHJH-UHFFFAOYSA-N -1 0 325.133 3.865 20 0 EHADRM CCCOc1ccc(NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000392435650 972484834 /nfs/dbraw/zinc/48/48/34/972484834.db2.gz LMXOZUWNZCBKSE-UHFFFAOYSA-N -1 0 332.331 3.957 20 0 EHADRM Cc1cc(NCc2ccc(C(=O)[O-])cn2)cc(C)c1Br ZINC000232033441 960240330 /nfs/dbraw/zinc/24/03/30/960240330.db2.gz ODZVHLHCTINNJY-UHFFFAOYSA-N -1 0 335.201 3.771 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2cc(Cl)nc(Cl)c2)s1 ZINC000234152086 960341807 /nfs/dbraw/zinc/34/18/07/960341807.db2.gz VOJGSGNYJUDFPS-UHFFFAOYSA-N -1 0 345.207 3.963 20 0 EHADRM COc1ccc(Br)c(NCc2cc(C)c(C(=O)[O-])o2)c1 ZINC000234957636 960378827 /nfs/dbraw/zinc/37/88/27/960378827.db2.gz HLMNNBYFYDEUBB-UHFFFAOYSA-N -1 0 340.173 3.669 20 0 EHADRM COc1cccc2c1CC[C@H]2OC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001574232916 960420787 /nfs/dbraw/zinc/42/07/87/960420787.db2.gz QMIAERNGYRKNDZ-QGZVFWFLSA-N -1 0 326.348 3.546 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])cc(Cl)n1 ZINC000235843208 960515583 /nfs/dbraw/zinc/51/55/83/960515583.db2.gz CLTQDYFBPPQRFI-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM C[C@H](SCC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC001603280850 972508908 /nfs/dbraw/zinc/50/89/08/972508908.db2.gz ACAMWJUJLNLUQF-LBPRGKRZSA-N -1 0 331.393 3.624 20 0 EHADRM CSc1ccc([C@@H](C)NC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC001574257993 960552774 /nfs/dbraw/zinc/55/27/74/960552774.db2.gz RNKZZQWTXLKEGY-SDKXAQGSSA-N -1 0 331.393 3.590 20 0 EHADRM Cc1cc(=O)oc2cc(Oc3cc(C(=O)[O-])ccc3[N+](=O)[O-])ccc12 ZINC000392753811 972517830 /nfs/dbraw/zinc/51/78/30/972517830.db2.gz KZRCZBIBNCKPRS-UHFFFAOYSA-N -1 0 341.275 3.500 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)Cc2cccc(Cl)c2)cc1 ZINC001253130763 960639058 /nfs/dbraw/zinc/63/90/58/960639058.db2.gz APRZADSCIZVLBG-INIZCTEOSA-N -1 0 331.799 3.523 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1SCCc2sccc21 ZINC001253330212 960648110 /nfs/dbraw/zinc/64/81/10/960648110.db2.gz RLPFRXMICNEDAT-CQSZACIVSA-N -1 0 333.434 3.724 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)C(F)(F)F ZINC001573769665 960652971 /nfs/dbraw/zinc/65/29/71/960652971.db2.gz BDZXGMVHOWVMOG-CPCISQLKSA-N -1 0 336.285 3.622 20 0 EHADRM C[C@H](NC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)C1CCCCCC1 ZINC001574288311 960666758 /nfs/dbraw/zinc/66/67/58/960666758.db2.gz ODBKCFGWPZUTHY-YWZLYKJASA-N -1 0 346.471 3.687 20 0 EHADRM CCC(CC)(C(=O)N1CC(C(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC001573775957 960677939 /nfs/dbraw/zinc/67/79/39/960677939.db2.gz DXRBHQQDRQYMLO-UHFFFAOYSA-N -1 0 344.238 3.594 20 0 EHADRM CC[C@@H](C)c1ccc(COC(=O)C2(CC(=O)[O-])CCOCC2)cc1 ZINC001573776097 960679464 /nfs/dbraw/zinc/67/94/64/960679464.db2.gz HCBBLHZASQBTMQ-CQSZACIVSA-N -1 0 334.412 3.515 20 0 EHADRM Cc1c(Cl)cccc1C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001574297847 960703492 /nfs/dbraw/zinc/70/34/92/960703492.db2.gz JJZYTVCPAWJHCS-GDBMZVCRSA-N -1 0 329.783 3.691 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])c(C)n1C1CCCCC1 ZINC000236630948 960719463 /nfs/dbraw/zinc/71/94/63/960719463.db2.gz CRFBTJMSYOJDQI-KRWDZBQOSA-N -1 0 334.460 3.839 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)CCc1ccc(-c2ccccc2)o1 ZINC000236710379 960740340 /nfs/dbraw/zinc/74/03/40/960740340.db2.gz YNMBYULLTKVQPE-UHFFFAOYSA-N -1 0 343.423 3.839 20 0 EHADRM CCCN(C(=O)c1ccc(C(=O)[O-])o1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000236742079 960746368 /nfs/dbraw/zinc/74/63/68/960746368.db2.gz YPACNBNNCWKTEP-HZPDHXFCSA-N -1 0 349.427 3.568 20 0 EHADRM CCC[C@](C)(NC(=O)[C@@H](C)Sc1ccccc1Cl)C(=O)[O-] ZINC000236819736 960765863 /nfs/dbraw/zinc/76/58/63/960765863.db2.gz FTHLDMMTPIWISP-BMIGLBTASA-N -1 0 329.849 3.580 20 0 EHADRM CCc1ccc(C2CCN(C(=O)c3ccc(C(=O)[O-])o3)CC2)cc1 ZINC001261843970 960771547 /nfs/dbraw/zinc/77/15/47/960771547.db2.gz XQXGXGAHOMIPJL-UHFFFAOYSA-N -1 0 327.380 3.560 20 0 EHADRM Cc1cc(C(=O)Nc2sc3c(c2C(=O)[O-])C[C@H](C)O[C@H]3C)c(C)[nH]1 ZINC001574314798 960772399 /nfs/dbraw/zinc/77/23/99/960772399.db2.gz AKOFDSQIIZYOTH-WPRPVWTQSA-N -1 0 348.424 3.666 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(C(=O)[O-])s1 ZINC000236929348 960801854 /nfs/dbraw/zinc/80/18/54/960801854.db2.gz KRNZTVWJDJZJBO-UHFFFAOYSA-N -1 0 329.830 3.824 20 0 EHADRM CCC[C@@](C)(NC(=O)CCOc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000236948551 960808382 /nfs/dbraw/zinc/80/83/82/960808382.db2.gz GLDMJKSCHMWHQI-OAHLLOKOSA-N -1 0 348.226 3.522 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CCSc1ccc(Cl)cc1 ZINC000236993558 960827877 /nfs/dbraw/zinc/82/78/77/960827877.db2.gz NSQMGGHCZILFAJ-HNNXBMFYSA-N -1 0 329.849 3.582 20 0 EHADRM CCC[C@H](NC(=O)c1cc(-c2ccc(F)cc2)c(C)s1)C(=O)[O-] ZINC000237016691 960837630 /nfs/dbraw/zinc/83/76/30/960837630.db2.gz VUUUEEURZNQJBJ-AWEZNQCLSA-N -1 0 335.400 3.846 20 0 EHADRM CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000237018507 960837922 /nfs/dbraw/zinc/83/79/22/960837922.db2.gz QKHYJQQVDRMORB-HNNXBMFYSA-N -1 0 331.343 3.628 20 0 EHADRM CC[C@@H](CNC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)C(=O)[O-] ZINC001573804078 960837963 /nfs/dbraw/zinc/83/79/63/960837963.db2.gz LHNUIMPVQXZYLJ-NSHDSACASA-N -1 0 349.333 3.598 20 0 EHADRM Cc1cc(C)cc(C[C@H](C)NC(=O)N2CCCC[C@H]2CCC(=O)[O-])c1 ZINC001574325243 960838732 /nfs/dbraw/zinc/83/87/32/960838732.db2.gz DYJRKRWLKYOKLL-WMZOPIPTSA-N -1 0 346.471 3.663 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)COc1ccc2ccccc2c1 ZINC000237030914 960845069 /nfs/dbraw/zinc/84/50/69/960845069.db2.gz OHKZPOUKVUUWHY-UHFFFAOYSA-N -1 0 349.386 3.575 20 0 EHADRM CCCCCN(CCCOC)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000183204267 1125474745 /nfs/dbraw/zinc/47/47/45/1125474745.db2.gz SZHLFIHMPWXBOE-UHFFFAOYSA-N -1 0 336.457 3.785 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1csc2ccccc12 ZINC000237062426 960859425 /nfs/dbraw/zinc/85/94/25/960859425.db2.gz LRTKDQOTRXAJMN-UHFFFAOYSA-N -1 0 325.389 3.872 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N(CC(=O)[O-])[C@H](C)CC)o2)cc1 ZINC000237063629 960859552 /nfs/dbraw/zinc/85/95/52/960859552.db2.gz FSCKEIPPIWIWFD-CYBMUJFWSA-N -1 0 329.396 3.834 20 0 EHADRM COc1ccc(C(=O)NCCCCCC(=O)[O-])cc1-c1ccccc1 ZINC000237167626 960880639 /nfs/dbraw/zinc/88/06/39/960880639.db2.gz WRUFHEVPJPLRAM-UHFFFAOYSA-N -1 0 341.407 3.737 20 0 EHADRM Cc1ccc(SC2(C(=O)N(C)CCCC(=O)[O-])CCCC2)cc1 ZINC000237252623 960894565 /nfs/dbraw/zinc/89/45/65/960894565.db2.gz JMONDCMMXRVDRM-UHFFFAOYSA-N -1 0 335.469 3.723 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC000237331011 960913010 /nfs/dbraw/zinc/91/30/10/960913010.db2.gz BUVWZCUWRHYGPF-LLVKDONJSA-N -1 0 341.860 3.779 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCCCCC(=O)[O-] ZINC000237353925 960917283 /nfs/dbraw/zinc/91/72/83/960917283.db2.gz JSTNBNHDOXOWHX-GFCCVEGCSA-N -1 0 343.876 3.972 20 0 EHADRM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(C(=O)[O-])s1 ZINC000237415107 960931976 /nfs/dbraw/zinc/93/19/76/960931976.db2.gz AIUOEPGAOOUHHD-MRVPVSSYSA-N -1 0 325.336 3.558 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)CC(C1CC1)C1CC1)C(=O)[O-] ZINC001319309368 960936614 /nfs/dbraw/zinc/93/66/14/960936614.db2.gz JBPWCPGXCYPJAV-CQSZACIVSA-N -1 0 329.440 3.562 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)C[C@@H]2CCc3ccccc32)cc1 ZINC001319310152 960937667 /nfs/dbraw/zinc/93/76/67/960937667.db2.gz XRRLTIQINPFNKJ-HKUYNNGSSA-N -1 0 337.419 3.747 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1csc(-c2ccoc2)n1 ZINC001319324360 960939729 /nfs/dbraw/zinc/93/97/29/960939729.db2.gz KZXOCOLVCXNTGF-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM C[C@@H](CC1CCCCC1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000237490390 960945865 /nfs/dbraw/zinc/94/58/65/960945865.db2.gz QSBDVNQVGXXDQP-KSSFIOAISA-N -1 0 329.440 3.631 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1cc2c(s1)CCC2)C(=O)[O-] ZINC000237492038 960946173 /nfs/dbraw/zinc/94/61/73/960946173.db2.gz BTSXQRAMKBSPEH-ZDUSSCGKSA-N -1 0 343.448 3.600 20 0 EHADRM C[C@H]1CCc2c(C(=O)Nc3cccc(OCC(=O)[O-])c3)csc2C1 ZINC000237615324 960974735 /nfs/dbraw/zinc/97/47/35/960974735.db2.gz RJMRYPLJQSOHQR-NSHDSACASA-N -1 0 345.420 3.589 20 0 EHADRM CC[C@@H]1CCc2c(sc(NC(=O)CC[C@H](C)OC)c2C(=O)[O-])C1 ZINC001573830388 961013168 /nfs/dbraw/zinc/01/31/68/961013168.db2.gz QLPPCQLVQKEAAE-WDEREUQCSA-N -1 0 339.457 3.715 20 0 EHADRM O=C([O-])CCCCNC(=O)c1occc1CSc1ccccc1 ZINC000237918902 961040314 /nfs/dbraw/zinc/04/03/14/961040314.db2.gz AQYFNIGQVIQWMI-UHFFFAOYSA-N -1 0 333.409 3.557 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)Cc2cc(Cl)ccc2Cl)C1 ZINC000237950991 961052447 /nfs/dbraw/zinc/05/24/47/961052447.db2.gz NDFDSEYDNPDIBY-NSHDSACASA-N -1 0 344.238 3.639 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000237951102 961052590 /nfs/dbraw/zinc/05/25/90/961052590.db2.gz BBDTZFLSEVSEAB-NSHDSACASA-N -1 0 344.238 3.639 20 0 EHADRM O=C([O-])c1n[nH]c2ccc(NC(=O)Cc3ccc4ccccc4c3)cc21 ZINC000237968212 961057655 /nfs/dbraw/zinc/05/76/55/961057655.db2.gz ODCBOOOUNAEMJX-UHFFFAOYSA-N -1 0 345.358 3.596 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)s1 ZINC000237974362 961059339 /nfs/dbraw/zinc/05/93/39/961059339.db2.gz OJUJIRLZWSZRDK-UHFFFAOYSA-N -1 0 347.417 3.943 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)cc1 ZINC000237974220 961060729 /nfs/dbraw/zinc/06/07/29/961060729.db2.gz DKLSKTNOQSWMEN-UHFFFAOYSA-N -1 0 341.388 3.882 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2CCc2ccccc2)s1 ZINC000237976923 961062475 /nfs/dbraw/zinc/06/24/75/961062475.db2.gz YRHAOCKJHMTLKT-CQSZACIVSA-N -1 0 329.421 3.684 20 0 EHADRM Cc1ccc(Cl)cc1CNC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001574369079 961063604 /nfs/dbraw/zinc/06/36/04/961063604.db2.gz MGEOLGKDXORTID-UHFFFAOYSA-N -1 0 332.787 3.597 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H](c2ccccc2)c2cccc(F)c2)o1 ZINC000238029610 961083124 /nfs/dbraw/zinc/08/31/24/961083124.db2.gz JKXYJJZSJMYCRQ-KRWDZBQOSA-N -1 0 339.322 3.636 20 0 EHADRM CCc1ccc([C@@H](NC(=O)CCCC(=O)[O-])c2cccc(F)c2)cc1 ZINC001326392095 961087765 /nfs/dbraw/zinc/08/77/65/961087765.db2.gz UOEUXFLSYMEVNT-HXUWFJFHSA-N -1 0 343.398 3.849 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)c2cccc3cc[nH]c32)c1 ZINC000238083769 961093680 /nfs/dbraw/zinc/09/36/80/961093680.db2.gz MHIXFMXAEFLZPH-UHFFFAOYSA-N -1 0 340.404 3.738 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCOc2ccc(F)cc2Cl)cc1 ZINC000238110717 961102015 /nfs/dbraw/zinc/10/20/15/961102015.db2.gz GZSKYGBXWPOOES-UHFFFAOYSA-N -1 0 337.734 3.585 20 0 EHADRM O=C([O-])[C@H](c1ccccc1)N1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC001326503545 961102972 /nfs/dbraw/zinc/10/29/72/961102972.db2.gz VIEJFSBSBMQMOD-DOMZBBRYSA-N -1 0 337.828 3.601 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c1 ZINC000238131592 961119124 /nfs/dbraw/zinc/11/91/24/961119124.db2.gz OVPZAGXHRNSDFK-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2csc(-c3ccccc3)n2)c1 ZINC000238163147 961139125 /nfs/dbraw/zinc/13/91/25/961139125.db2.gz SRLUGKXPUFNWRZ-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(Cl)c3cccnc23)cc1 ZINC000238184014 961149644 /nfs/dbraw/zinc/14/96/44/961149644.db2.gz MFWMDXPPJKZZCN-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM CC(C)(C)c1cc(C(=O)N2CC[C@H](C(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC001588739444 961152735 /nfs/dbraw/zinc/15/27/35/961152735.db2.gz NQSRPNNUTVPPSI-LBPRGKRZSA-N -1 0 347.455 3.534 20 0 EHADRM O=C([O-])c1ccc(CN2CCC(C(=O)c3cccs3)CC2)s1 ZINC001327337480 961153711 /nfs/dbraw/zinc/15/37/11/961153711.db2.gz RXQJLKFWEITNIN-UHFFFAOYSA-N -1 0 335.450 3.603 20 0 EHADRM Cc1cccc([C@@H](NC(=O)[C@@H](C)c2ccc(Cl)cc2)C(=O)[O-])c1 ZINC001574390582 961172110 /nfs/dbraw/zinc/17/21/10/961172110.db2.gz YZSWBWLILHOUNO-BLLLJJGKSA-N -1 0 331.799 3.694 20 0 EHADRM Cc1cccc([C@@H](NC(=O)[C@H](C)c2ccc(Cl)cc2)C(=O)[O-])c1 ZINC001574390584 961172250 /nfs/dbraw/zinc/17/22/50/961172250.db2.gz YZSWBWLILHOUNO-MLGOLLRUSA-N -1 0 331.799 3.694 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2cc3c(cc(C)cc3C)[nH]2)C(=O)[O-])c1 ZINC001574392134 961187981 /nfs/dbraw/zinc/18/79/81/961187981.db2.gz PMNBDDOYSMQWKE-GOSISDBHSA-N -1 0 336.391 3.649 20 0 EHADRM Cc1cccc([C@@H](NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])C(C)C)c1 ZINC001574392181 961188397 /nfs/dbraw/zinc/18/83/97/961188397.db2.gz QKTPLXDKPISZKM-SJORKVTESA-N -1 0 334.460 3.738 20 0 EHADRM Cc1cccc([C@@H](NCc2c(F)c(F)c(F)c(F)c2F)C(=O)[O-])c1 ZINC001574395069 961206248 /nfs/dbraw/zinc/20/62/48/961206248.db2.gz PDGFCJJEQJAFDS-OAHLLOKOSA-N -1 0 345.267 3.606 20 0 EHADRM CC(C)(CCNC(=O)[C@H](OCC1CCCC1)c1ccccc1)C(=O)[O-] ZINC001588767467 961248239 /nfs/dbraw/zinc/24/82/39/961248239.db2.gz HERPKRWFHTZYCZ-QGZVFWFLSA-N -1 0 347.455 3.552 20 0 EHADRM CC(C)(CCNC(=O)N1CC2(CC=CC2)[C@H]1c1ccccc1)C(=O)[O-] ZINC001588774233 961269679 /nfs/dbraw/zinc/26/96/79/961269679.db2.gz FQFLKKFCWRVMEG-MRXNPFEDSA-N -1 0 342.439 3.590 20 0 EHADRM O=C([O-])c1csc(CN2CCC(C(=O)c3cccs3)CC2)c1 ZINC001329642215 961285972 /nfs/dbraw/zinc/28/59/72/961285972.db2.gz GHRWRSKTZUNNRP-UHFFFAOYSA-N -1 0 335.450 3.603 20 0 EHADRM Cc1nc2c(Cl)cccc2cc1C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001574424277 961360902 /nfs/dbraw/zinc/36/09/02/961360902.db2.gz RIBVOIXVLFRJIV-UHFFFAOYSA-N -1 0 341.754 3.542 20 0 EHADRM CCCCC1CCC(C(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)CC1 ZINC000261603280 961382693 /nfs/dbraw/zinc/38/26/93/961382693.db2.gz BYMMJZSZPYHXTD-ZUEPYMLJSA-N -1 0 349.393 3.849 20 0 EHADRM C[C@@H](NC(=O)CCc1ccccc1C(=O)[O-])[C@@H](C)c1ccccc1 ZINC000262071129 961431493 /nfs/dbraw/zinc/43/14/93/961431493.db2.gz CXOSBCNUPSISIC-HUUCEWRRSA-N -1 0 325.408 3.626 20 0 EHADRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)C1(CF)CCC1 ZINC001332162132 961494473 /nfs/dbraw/zinc/49/44/73/961494473.db2.gz PDQCJSJWNWFAAA-UHFFFAOYSA-N -1 0 344.180 3.534 20 0 EHADRM Cc1cc(O)c(C(C)C)cc1NC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC001332165453 961498900 /nfs/dbraw/zinc/49/89/00/961498900.db2.gz LDMGHTWFNFMCRX-UHFFFAOYSA-N -1 0 331.412 3.798 20 0 EHADRM CCOc1ccc(CN2CC[C@H](C(=O)[O-])c3ccccc32)cc1OC ZINC001573919959 961524603 /nfs/dbraw/zinc/52/46/03/961524603.db2.gz OEGOOZOWSMIDBW-INIZCTEOSA-N -1 0 341.407 3.672 20 0 EHADRM Cc1ccccc1[C@@H]1CCN(C(=O)CCc2ccccc2C(=O)[O-])C1 ZINC000262188195 961533670 /nfs/dbraw/zinc/53/36/70/961533670.db2.gz NDDSWSMFVXJAGC-QGZVFWFLSA-N -1 0 337.419 3.642 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)NC[C@H](CC)C(=O)[O-] ZINC001573931923 961581790 /nfs/dbraw/zinc/58/17/90/961581790.db2.gz IOEPZNCMFOHFOV-VIFPVBQESA-N -1 0 330.837 3.684 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1sc(-c2ccccc2C)nc1C)C(=O)[O-] ZINC001573942872 961622157 /nfs/dbraw/zinc/62/21/57/961622157.db2.gz PTJDIJKBYKKHGI-HZMBPMFUSA-N -1 0 346.452 3.656 20 0 EHADRM CCc1c(NC(=O)C2(C(=O)[O-])CCCCCC2)onc1C(F)(F)F ZINC001573949109 961639559 /nfs/dbraw/zinc/63/95/59/961639559.db2.gz HJDOTHDREILDOZ-UHFFFAOYSA-N -1 0 348.321 3.620 20 0 EHADRM CC(C)[C@H](CNC(=O)N1CC[C@@H](CC(C)(C)C)C1(C)C)C(=O)[O-] ZINC001588823342 961646573 /nfs/dbraw/zinc/64/65/73/961646573.db2.gz VIWXSCZYMSHMFI-KBPBESRZSA-N -1 0 326.481 3.590 20 0 EHADRM C[C@H](CC(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccc(F)cc1 ZINC000262329831 961646766 /nfs/dbraw/zinc/64/67/66/961646766.db2.gz ASJZIACAHMUVBD-CYBMUJFWSA-N -1 0 329.371 3.975 20 0 EHADRM CCCCS[C@H](C)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000262360480 961669431 /nfs/dbraw/zinc/66/94/31/961669431.db2.gz CYWTYAPSFZMENI-GFCCVEGCSA-N -1 0 341.498 3.865 20 0 EHADRM COc1ccccc1C1(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)CC1 ZINC000262516294 961756499 /nfs/dbraw/zinc/75/64/99/961756499.db2.gz NAQVUQSEPPBHJE-UHFFFAOYSA-N -1 0 339.391 3.681 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@H]2C[C@@]23CCc2ccccc23)c1 ZINC000262568381 961775806 /nfs/dbraw/zinc/77/58/06/961775806.db2.gz YKEWKKRJWUSNNB-WIYYLYMNSA-N -1 0 335.403 3.546 20 0 EHADRM C[C@@H](C(=O)[O-])N(C)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000262674888 961802832 /nfs/dbraw/zinc/80/28/32/961802832.db2.gz TUFJTNHYMQPDJR-VIFPVBQESA-N -1 0 344.358 3.734 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)Nc2c(F)cc(Cl)cc2F)o1 ZINC001574513663 961825601 /nfs/dbraw/zinc/82/56/01/961825601.db2.gz LEZDRRPODFUSJB-DUXPYHPUSA-N -1 0 327.670 3.561 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)Nc2cccc(OC3CCCC3)c2)CC1 ZINC000262725990 961831495 /nfs/dbraw/zinc/83/14/95/961831495.db2.gz SJBZPHBKCZZZIW-HDJSIYSDSA-N -1 0 331.412 3.838 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000263295956 1125479436 /nfs/dbraw/zinc/47/94/36/1125479436.db2.gz ZONJILGNRKEUIB-RDTXWAMCSA-N -1 0 339.391 3.804 20 0 EHADRM CC(C)c1ocnc1CN[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001334885819 961851961 /nfs/dbraw/zinc/85/19/61/961851961.db2.gz CBVNDLDSBMKBKB-ZDUSSCGKSA-N -1 0 342.317 3.732 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)Nc2ccc(OC3CCC3)c(F)c2)CC1 ZINC000262758673 961852294 /nfs/dbraw/zinc/85/22/94/961852294.db2.gz ZIPRKCGTKQMANQ-HAQNSBGRSA-N -1 0 335.375 3.587 20 0 EHADRM O=C([O-])C1(NC(=O)CCc2ccc(Cl)c(F)c2)CCCCCC1 ZINC001574525884 961879391 /nfs/dbraw/zinc/87/93/91/961879391.db2.gz RQQUHKUIJUOGEF-UHFFFAOYSA-N -1 0 341.810 3.706 20 0 EHADRM CC[C@@H](CC(=O)Nc1ccc(C(=O)[O-])cc1OC)c1ccccc1 ZINC000262837580 961903923 /nfs/dbraw/zinc/90/39/23/961903923.db2.gz BWWUMVNKJWQMLK-ZDUSSCGKSA-N -1 0 327.380 3.916 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2ccccc2Cl)CC2CC2)o1 ZINC001335432164 961927593 /nfs/dbraw/zinc/92/75/93/961927593.db2.gz KWLQUWCRNHRRIR-UHFFFAOYSA-N -1 0 333.771 3.684 20 0 EHADRM CC(C)[C@@H](SCc1ccccc1)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000262867597 961936702 /nfs/dbraw/zinc/93/67/02/961936702.db2.gz BCGUDWCVIFPGAH-OAHLLOKOSA-N -1 0 337.485 3.562 20 0 EHADRM C[C@H](CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000262871353 961940839 /nfs/dbraw/zinc/94/08/39/961940839.db2.gz BAAQWJYZKRQVOA-SUNKGSAMSA-N -1 0 343.345 3.521 20 0 EHADRM COc1cc(NC(=O)[C@H](C)Cc2ccc(C)cc2)ccc1C(=O)[O-] ZINC000262872196 961943039 /nfs/dbraw/zinc/94/30/39/961943039.db2.gz GDWQVZKRXUNXGP-CYBMUJFWSA-N -1 0 327.380 3.519 20 0 EHADRM O=C([O-])c1ccc(COC(=O)Cn2ccc3ccc(Cl)cc32)cc1 ZINC001574539674 961943561 /nfs/dbraw/zinc/94/35/61/961943561.db2.gz PKESJEAPLHVSKZ-UHFFFAOYSA-N -1 0 343.766 3.736 20 0 EHADRM CC[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1OC)c1ccc(OC)cc1 ZINC000262878495 961952055 /nfs/dbraw/zinc/95/20/55/961952055.db2.gz GTJYUNOCOZUKJR-HNNXBMFYSA-N -1 0 343.379 3.534 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)CCc1cccc(F)c1 ZINC000262889422 961963819 /nfs/dbraw/zinc/96/38/19/961963819.db2.gz HUUWLQFIXROGCP-GFCCVEGCSA-N -1 0 345.370 3.740 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)N[C@@H](C)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC000262904025 961982057 /nfs/dbraw/zinc/98/20/57/961982057.db2.gz DCMRZKYUSDQBOU-ZOBUZTSGSA-N -1 0 347.455 3.790 20 0 EHADRM CCn1c(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc2ccccc21 ZINC001337320631 961982932 /nfs/dbraw/zinc/98/29/32/961982932.db2.gz IOOMMCRMMGZAAH-OAHLLOKOSA-N -1 0 342.439 3.624 20 0 EHADRM CC[C@@H](C)Oc1ccc(NC(=O)c2c(C)coc2CC(=O)[O-])cc1 ZINC000262912100 961990544 /nfs/dbraw/zinc/99/05/44/961990544.db2.gz JRAPAOZLTUTCIR-GFCCVEGCSA-N -1 0 331.368 3.645 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CCC[C@H](C)c2ccccc21 ZINC000262918551 962000499 /nfs/dbraw/zinc/00/04/99/962000499.db2.gz KGYDGOCFGIECMV-LBPRGKRZSA-N -1 0 327.380 3.759 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC000262920246 962002075 /nfs/dbraw/zinc/00/20/75/962002075.db2.gz JGMBOZREFHTSRP-RVKKMQEKSA-N -1 0 331.456 3.873 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)CCCc1ccc(C)cc1 ZINC000262955254 962039849 /nfs/dbraw/zinc/03/98/49/962039849.db2.gz NGOQLQSBNDRXMI-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM Cc1oc(CNC(=O)C2(c3cccc(C)c3)CCCC2)cc1C(=O)[O-] ZINC000262959837 962044558 /nfs/dbraw/zinc/04/45/58/962044558.db2.gz JZOBAOHONXOBPZ-UHFFFAOYSA-N -1 0 341.407 3.723 20 0 EHADRM CC[C@@](CNC(=O)c1cc(C(C)C)oc1C)(C(=O)[O-])c1ccccc1 ZINC000262986757 962079105 /nfs/dbraw/zinc/07/91/05/962079105.db2.gz LKXNUAQLCLVKHL-FQEVSTJZSA-N -1 0 343.423 3.874 20 0 EHADRM CC[C@](CNC(=O)c1csc(C)c1C)(C(=O)[O-])c1ccccc1 ZINC000262987892 962079996 /nfs/dbraw/zinc/07/99/96/962079996.db2.gz LNQDBIRCADVKCM-GOSISDBHSA-N -1 0 331.437 3.527 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000262998507 962091133 /nfs/dbraw/zinc/09/11/33/962091133.db2.gz QZMWVMVYRMPVAZ-ABAIWWIYSA-N -1 0 345.370 3.578 20 0 EHADRM O=C([O-])C1CCN(C(=O)Nc2cccc(C(F)F)c2Cl)CC1 ZINC000263025928 962136276 /nfs/dbraw/zinc/13/62/76/962136276.db2.gz JXEMGNGVRRNOQS-UHFFFAOYSA-N -1 0 332.734 3.606 20 0 EHADRM CC[C@@H](CC(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000263036531 962157322 /nfs/dbraw/zinc/15/73/22/962157322.db2.gz ZHIOICGIDDVTLE-KBXCAEBGSA-N -1 0 343.398 3.694 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000263041026 962164549 /nfs/dbraw/zinc/16/45/49/962164549.db2.gz VTQKEKJROJRTKK-LLVKDONJSA-N -1 0 327.833 3.531 20 0 EHADRM Cc1sc(C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)cc1-c1ccc(F)cc1 ZINC000263057479 962193738 /nfs/dbraw/zinc/19/37/38/962193738.db2.gz AYAYGTQIHMLUFJ-QMTHXVAHSA-N -1 0 347.411 3.798 20 0 EHADRM CC(C)C[C@H](CNC(=O)NCC(C)(C)C1CCCC1)CC(=O)[O-] ZINC001588892384 962206934 /nfs/dbraw/zinc/20/69/34/962206934.db2.gz GJEVPEMJJAYDCD-AWEZNQCLSA-N -1 0 326.481 3.639 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC000263071991 962213373 /nfs/dbraw/zinc/21/33/73/962213373.db2.gz JTQYWMPSSNPNJE-KRWDZBQOSA-N -1 0 349.427 3.598 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@@H](C)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000263080694 962224648 /nfs/dbraw/zinc/22/46/48/962224648.db2.gz PTLJUCDIZKIRDR-AWEZNQCLSA-N -1 0 341.407 3.764 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)N[C@H](CC(F)(F)F)C(=O)[O-])cc1 ZINC000263141338 962295744 /nfs/dbraw/zinc/29/57/44/962295744.db2.gz YJYBFLPEDFVUFK-RDFMZFSFSA-N -1 0 343.345 3.735 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000263147635 962301198 /nfs/dbraw/zinc/30/11/98/962301198.db2.gz YVDIUEUXMGBSGB-OBKDMQGPSA-N -1 0 349.430 3.655 20 0 EHADRM CCC(CC)n1nc(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1C ZINC000263153439 962307060 /nfs/dbraw/zinc/30/70/60/962307060.db2.gz HRJNAUBWDRRYNO-UHFFFAOYSA-N -1 0 347.390 3.571 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)cc1F ZINC000263162777 962312900 /nfs/dbraw/zinc/31/29/00/962312900.db2.gz INDCNBGRGULRLP-VXGBXAGGSA-N -1 0 347.308 3.760 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccccc2-c2nccs2)C1 ZINC001345809471 962316028 /nfs/dbraw/zinc/31/60/28/962316028.db2.gz RYDRRDDLNVZNGR-VXGBXAGGSA-N -1 0 330.409 3.640 20 0 EHADRM O=C([O-])C1(CCSc2nc(-c3ccccc3)cc(=O)[nH]2)CCC1 ZINC001574637997 962321223 /nfs/dbraw/zinc/32/12/23/962321223.db2.gz BRXCITIUEFYXLQ-UHFFFAOYSA-N -1 0 330.409 3.586 20 0 EHADRM CC(C)Cn1ccc2c1cccc2C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001588911778 962323435 /nfs/dbraw/zinc/32/34/35/962323435.db2.gz WNMONQYJUCDPMG-UHFFFAOYSA-N -1 0 337.379 3.643 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](C(=O)N[C@@H](c2ccsc2)c2ccc(Cl)cc2)C1 ZINC001346236951 962328824 /nfs/dbraw/zinc/32/88/24/962328824.db2.gz DKZHZZWGDUOZRQ-VNHYZAJKSA-N -1 0 349.839 3.718 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000263174789 962329966 /nfs/dbraw/zinc/32/99/66/962329966.db2.gz JRRRWJQKVPZZJF-GFCCVEGCSA-N -1 0 347.361 3.799 20 0 EHADRM Cc1ccc(SC2CCCC2)c(C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)c1 ZINC000263189553 962345327 /nfs/dbraw/zinc/34/53/27/962345327.db2.gz MITHZICZQNQNFI-HIFRSBDPSA-N -1 0 347.480 3.965 20 0 EHADRM O=C([O-])CCCCCCNC(=O)C1(Cc2cccc(F)c2)CCC1 ZINC000263196842 962351390 /nfs/dbraw/zinc/35/13/90/962351390.db2.gz UJHIUCPYAALSGX-UHFFFAOYSA-N -1 0 335.419 3.690 20 0 EHADRM COc1cccc(CCC(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c1F ZINC000263199310 962355370 /nfs/dbraw/zinc/35/53/70/962355370.db2.gz JRKLJQROZVMXIP-GFCCVEGCSA-N -1 0 345.370 3.594 20 0 EHADRM Cc1cc(C)cc(CCC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)c1 ZINC000263224184 962375410 /nfs/dbraw/zinc/37/54/10/962375410.db2.gz PQMMSNSWFMLBGS-UHFFFAOYSA-N -1 0 329.371 3.641 20 0 EHADRM COc1ccc(-c2cc(C(=O)N(C)C[C@@H](C)C(=O)[O-])sc2C)cc1 ZINC000263222377 962375834 /nfs/dbraw/zinc/37/58/34/962375834.db2.gz ZDEHHSPNCMAOMQ-LLVKDONJSA-N -1 0 347.436 3.525 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3CC[C@@H](C(=O)[O-])[C@H]3C)c(F)c2)cc1 ZINC000263228354 962378727 /nfs/dbraw/zinc/37/87/27/962378727.db2.gz RTMJRXDOCKEYIJ-CZUORRHYSA-N -1 0 341.382 3.736 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000263245561 962390158 /nfs/dbraw/zinc/39/01/58/962390158.db2.gz DAKIWQPOCMIDOK-UHFFFAOYSA-N -1 0 346.402 3.658 20 0 EHADRM C[C@@H](C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC000263271803 962409802 /nfs/dbraw/zinc/40/98/02/962409802.db2.gz IFKDUGRIOXBRQO-BFUOFWGJSA-N -1 0 345.826 3.602 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)N1CCC(C(=O)[O-])CC1)CCC2 ZINC000263308221 962448838 /nfs/dbraw/zinc/44/88/38/962448838.db2.gz YBZPFACWFALNRU-SFHVURJKSA-N -1 0 344.455 3.694 20 0 EHADRM O=C([O-])[C@H]1CCN(C[C@@H]2CCCC23CCOCC3)c2ccccc21 ZINC001574656524 962465444 /nfs/dbraw/zinc/46/54/44/962465444.db2.gz YOWRLCOJMYWGOB-RDJZCZTQSA-N -1 0 329.440 3.662 20 0 EHADRM O=C([O-])CCCCC(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000263331779 962478401 /nfs/dbraw/zinc/47/84/01/962478401.db2.gz VECFXODERAFWHK-LJQANCHMSA-N -1 0 329.371 3.676 20 0 EHADRM O=C([O-])CCCCC(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000263331774 962478616 /nfs/dbraw/zinc/47/86/16/962478616.db2.gz VECFXODERAFWHK-IBGZPJMESA-N -1 0 329.371 3.676 20 0 EHADRM C[C@H](CCOc1ccccc1)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000263351479 962502981 /nfs/dbraw/zinc/50/29/81/962502981.db2.gz VRGRCVQOTRNSQI-CABCVRRESA-N -1 0 341.407 3.918 20 0 EHADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1ccccc1SCc1cccs1 ZINC000263361948 962518305 /nfs/dbraw/zinc/51/83/05/962518305.db2.gz YPECMFRQHAKMDE-TXEJJXNPSA-N -1 0 347.461 3.633 20 0 EHADRM COc1cccc(CCC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c1F ZINC000263364049 962521632 /nfs/dbraw/zinc/52/16/32/962521632.db2.gz ZEQWQZJAVQSUNU-LBPRGKRZSA-N -1 0 345.370 3.594 20 0 EHADRM O=C([O-])c1cccc(N[C@@H]2CCCc3cn(C4CCCC4)nc32)n1 ZINC000263388925 962548705 /nfs/dbraw/zinc/54/87/05/962548705.db2.gz FQEHSUUGXSAJJB-CQSZACIVSA-N -1 0 326.400 3.581 20 0 EHADRM O=C([O-])CC1(NC(=O)c2ccc(C(F)(F)F)s2)CCCCC1 ZINC001574675619 962559460 /nfs/dbraw/zinc/55/94/60/962559460.db2.gz OAVZZMHHGBJVOA-UHFFFAOYSA-N -1 0 335.347 3.674 20 0 EHADRM CCCN1C(=O)CCc2cc(NCc3cccc(C(=O)[O-])c3)ccc21 ZINC000263399382 962561894 /nfs/dbraw/zinc/56/18/94/962561894.db2.gz HOUGWCUHBBHOGG-UHFFFAOYSA-N -1 0 338.407 3.686 20 0 EHADRM Cn1c2ccc(NC3CCC(C(=O)[O-])CC3)cc2nc1C(C)(C)C ZINC000263417599 962587073 /nfs/dbraw/zinc/58/70/73/962587073.db2.gz NVPDXWNTFNGCPN-UHFFFAOYSA-N -1 0 329.444 3.926 20 0 EHADRM O=C([O-])CCC(=O)O[C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC001574682925 962597401 /nfs/dbraw/zinc/59/74/01/962597401.db2.gz XJJTZMHZIFTKQY-CYBMUJFWSA-N -1 0 331.393 3.596 20 0 EHADRM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)NC3CCC(C(=O)[O-])CC3)C2)cc1 ZINC000263438213 962615321 /nfs/dbraw/zinc/61/53/21/962615321.db2.gz CWSYRKKHEHWESV-YKWDICOMSA-N -1 0 344.455 3.526 20 0 EHADRM CC(C)c1cccc2c1CCN(C(=O)NC1CCC(C(=O)[O-])CC1)C2 ZINC000263443106 962624123 /nfs/dbraw/zinc/62/41/23/962624123.db2.gz FDEDJNDPUZFDDZ-UHFFFAOYSA-N -1 0 344.455 3.521 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c(O)c1 ZINC001588962692 962627586 /nfs/dbraw/zinc/62/75/86/962627586.db2.gz JTVPTSFEVISMIZ-IRXDYDNUSA-N -1 0 339.391 3.559 20 0 EHADRM CC[C@@H](C)N(Cc1ccccc1)C(=O)c1c(C)coc1CC(=O)[O-] ZINC000263454291 962641134 /nfs/dbraw/zinc/64/11/34/962641134.db2.gz UEMQDJNWEBIWIZ-CQSZACIVSA-N -1 0 329.396 3.656 20 0 EHADRM CC(C)c1ccc(CCNC(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC001588966529 962647486 /nfs/dbraw/zinc/64/74/86/962647486.db2.gz BOANICVJQCQHFC-UHFFFAOYSA-N -1 0 340.423 3.550 20 0 EHADRM CC(C)c1ccc([C@@H]2CCCCN2C(=O)c2cc(C(=O)[O-])n[nH]2)cc1 ZINC001588967081 962653882 /nfs/dbraw/zinc/65/38/82/962653882.db2.gz ZFKYFSFZHSMKEY-KRWDZBQOSA-N -1 0 341.411 3.599 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)N3CC[C@](C)(C(=O)[O-])C3)ccc21 ZINC000263468157 962655602 /nfs/dbraw/zinc/65/56/02/962655602.db2.gz GVIAZOTXCKITEW-IBGZPJMESA-N -1 0 343.427 3.626 20 0 EHADRM Cc1cccc(NC(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)c1C ZINC000263509650 962691047 /nfs/dbraw/zinc/69/10/47/962691047.db2.gz XCUWZWDIAKEIEF-QGZVFWFLSA-N -1 0 340.423 3.901 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N1CCc2cc(Cl)ccc2C1 ZINC000263520370 962701850 /nfs/dbraw/zinc/70/18/50/962701850.db2.gz GXLYGYMYKBOHBE-UHFFFAOYSA-N -1 0 343.810 3.556 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000263521445 962703710 /nfs/dbraw/zinc/70/37/10/962703710.db2.gz HJXNOMYHJDREPQ-VHPHOLNESA-N -1 0 341.451 3.672 20 0 EHADRM CC(C)N(C)c1ccc(CNc2cccc(CCC(=O)[O-])c2)cn1 ZINC000263526951 962707599 /nfs/dbraw/zinc/70/75/99/962707599.db2.gz ULQWDFXWSKKULK-UHFFFAOYSA-N -1 0 327.428 3.556 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000263542336 962719273 /nfs/dbraw/zinc/71/92/73/962719273.db2.gz ROUMEROXAJXMPA-XUVXKRRUSA-N -1 0 349.430 3.722 20 0 EHADRM CCC(CC)(CNC(=O)[C@H](C)Cc1ccccc1Cl)C(=O)[O-] ZINC000263544301 962719480 /nfs/dbraw/zinc/71/94/80/962719480.db2.gz SJVCFQZRCICLTM-GFCCVEGCSA-N -1 0 325.836 3.526 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2cccc(C(F)F)c2)C[C@H]1c1ccccc1 ZINC000263544946 962721588 /nfs/dbraw/zinc/72/15/88/962721588.db2.gz SUJBXYWHURTCET-JKSUJKDBSA-N -1 0 345.345 3.565 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)[C@@H](C)c2c(F)cccc2F)cc1)C(=O)[O-] ZINC000263548656 962723593 /nfs/dbraw/zinc/72/35/93/962723593.db2.gz VJJRGRHSNPMXDZ-NEPJUHHUSA-N -1 0 347.361 3.970 20 0 EHADRM CC(C)n1c(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)nc2ccccc21 ZINC001588980967 962723576 /nfs/dbraw/zinc/72/35/76/962723576.db2.gz QFQVPEWQHIIVJS-CSKARUKUSA-N -1 0 339.351 3.560 20 0 EHADRM CC(C)c1sc(NC(=O)N[C@H](C)C(=O)[O-])nc1-c1ccccc1 ZINC001588980980 962723860 /nfs/dbraw/zinc/72/38/60/962723860.db2.gz OWZKEOODPMTFQO-SNVBAGLBSA-N -1 0 333.413 3.528 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000263577484 962742222 /nfs/dbraw/zinc/74/22/22/962742222.db2.gz RMRKNZGFPANKQL-GOSISDBHSA-N -1 0 331.456 3.893 20 0 EHADRM C[C@H](CC(=O)NCc1cccc(C(=O)[O-])c1)c1c[nH]c2ccccc21 ZINC001588988725 962788157 /nfs/dbraw/zinc/78/81/57/962788157.db2.gz FROANZPBHGXREX-CYBMUJFWSA-N -1 0 336.391 3.676 20 0 EHADRM O=C([O-])COc1ccc(C(=O)OCc2csc3ccccc23)cc1 ZINC001574732660 962852661 /nfs/dbraw/zinc/85/26/61/962852661.db2.gz UYHAUCKHQNONNY-UHFFFAOYSA-N -1 0 342.372 3.722 20 0 EHADRM CC[C@H](C)n1nccc1C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001526682804 962873388 /nfs/dbraw/zinc/87/33/88/962873388.db2.gz MRLGTGZSQONFMG-LBPRGKRZSA-N -1 0 345.399 3.592 20 0 EHADRM O=C([O-])c1coc(C(=O)Nc2cc(Cl)cc(Br)c2)c1 ZINC000308313743 963266459 /nfs/dbraw/zinc/26/64/59/963266459.db2.gz UABSKENKLOJPPX-UHFFFAOYSA-N -1 0 344.548 3.646 20 0 EHADRM Cc1c(C(=O)[O-])cc(CNc2ccc(C)c(Br)c2)n1C ZINC000312590360 963576808 /nfs/dbraw/zinc/57/68/08/963576808.db2.gz VAOGFTSVRUFFHX-UHFFFAOYSA-N -1 0 337.217 3.715 20 0 EHADRM Cc1cc(NC(=O)CSc2ccc(F)c(F)c2)sc1C(=O)[O-] ZINC000314184292 963721718 /nfs/dbraw/zinc/72/17/18/963721718.db2.gz XKJLUSJAWUIZQA-UHFFFAOYSA-N -1 0 343.376 3.764 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1SC(F)F ZINC000314243626 963730397 /nfs/dbraw/zinc/73/03/97/963730397.db2.gz IYSCQJZZGDEJHY-VHSXEESVSA-N -1 0 329.368 3.831 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc(Cl)ccc2F)c(F)cc1F ZINC000314441576 963753528 /nfs/dbraw/zinc/75/35/28/963753528.db2.gz ICPAHJNZGUMUCY-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000315650035 963922375 /nfs/dbraw/zinc/92/23/75/963922375.db2.gz BKPJVVSMQKQTCP-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)c2c(Cl)cccc2Cl)c1 ZINC000315914381 963952258 /nfs/dbraw/zinc/95/22/58/963952258.db2.gz VDQHGJONDUPTKV-UHFFFAOYSA-N -1 0 338.190 3.664 20 0 EHADRM O=C([O-])C1(CNC(=O)/C=C\c2cc(Cl)cc(Cl)c2)CCCC1 ZINC000316550296 964022600 /nfs/dbraw/zinc/02/26/00/964022600.db2.gz CQEPTLMVWICEDB-ARJAWSKDSA-N -1 0 342.222 3.768 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN1Cc1ccc(Cl)c(Br)c1 ZINC000137277013 967641288 /nfs/dbraw/zinc/64/12/88/967641288.db2.gz SHPPJGANQGSYFT-CYBMUJFWSA-N -1 0 332.625 3.542 20 0 EHADRM Cc1c(C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)sc2cccc(F)c12 ZINC000261618920 967805974 /nfs/dbraw/zinc/80/59/74/967805974.db2.gz BYCWBDXSECIHKM-KOLCDFICSA-N -1 0 335.400 3.532 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000263062646 967841422 /nfs/dbraw/zinc/84/14/22/967841422.db2.gz STGYFIAWAUHYQE-ZBFHGGJFSA-N -1 0 339.391 3.662 20 0 EHADRM CC[C@H](NC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000263377323 967883587 /nfs/dbraw/zinc/88/35/87/967883587.db2.gz WSUUOUGZKVSFKF-WHOFXGATSA-N -1 0 338.835 3.543 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@@]1(C)C(=O)[O-])c1ccccc1C(F)(F)F ZINC000263418364 967890477 /nfs/dbraw/zinc/89/04/77/967890477.db2.gz IIOUPAKTIMRSFW-BZNIZROVSA-N -1 0 343.345 3.665 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ncccc1C(=O)[O-] ZINC000316059114 967977160 /nfs/dbraw/zinc/97/71/60/967977160.db2.gz OMHGGGAFYZTRKU-VIFPVBQESA-N -1 0 336.800 3.553 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc3c(s2)CCCCC3)C1 ZINC000320702223 968008552 /nfs/dbraw/zinc/00/85/52/968008552.db2.gz IRSAVUJSECXVJK-GOSISDBHSA-N -1 0 335.469 3.734 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2cccc3ccc(C)nc32)C1 ZINC000392912352 968203262 /nfs/dbraw/zinc/20/32/62/968203262.db2.gz DBGIPQXGZSGZJH-LJQANCHMSA-N -1 0 341.411 3.652 20 0 EHADRM CCOc1ccc(Cl)c(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])c1 ZINC000424392980 968361339 /nfs/dbraw/zinc/36/13/39/968361339.db2.gz VLHAEQPQNOBARJ-NSHDSACASA-N -1 0 342.823 3.607 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)CCCCC1 ZINC000540705421 968402260 /nfs/dbraw/zinc/40/22/60/968402260.db2.gz RXAMXABSVOHCFA-DYESRHJHSA-N -1 0 341.451 3.574 20 0 EHADRM Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)C1(C(=O)[O-])CCC1 ZINC000564087923 968418821 /nfs/dbraw/zinc/41/88/21/968418821.db2.gz IMWSIVNNQLGTCP-LBPRGKRZSA-N -1 0 344.436 3.551 20 0 EHADRM CC[C@H](NC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000567468163 968432144 /nfs/dbraw/zinc/43/21/44/968432144.db2.gz BDADXURYMVLTSQ-CQDKDKBSSA-N -1 0 338.835 3.543 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)C3(CC(=O)[O-])CCC3)c2)cs1 ZINC000567879164 968436783 /nfs/dbraw/zinc/43/67/83/968436783.db2.gz MJHSXYPBQOAFTQ-UHFFFAOYSA-N -1 0 330.409 3.702 20 0 EHADRM Cc1ccc([C@H](NC(=O)c2cc(C)cc(C(=O)[O-])c2)C(F)(F)F)o1 ZINC000656247101 968716970 /nfs/dbraw/zinc/71/69/70/968716970.db2.gz AYNMNAIOFVCGSW-ZDUSSCGKSA-N -1 0 341.285 3.628 20 0 EHADRM O=C([O-])CC1(NC(=O)c2ccc(C(F)F)cc2F)CCCCC1 ZINC000656234964 968717291 /nfs/dbraw/zinc/71/72/91/968717291.db2.gz UXPGMFLMMRWWDJ-UHFFFAOYSA-N -1 0 329.318 3.671 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(c2nn3cc(C4CCCC4)nc3s2)C1 ZINC000662887444 968759853 /nfs/dbraw/zinc/75/98/53/968759853.db2.gz IHLYFXPMXDWLCO-LBPRGKRZSA-N -1 0 348.472 3.530 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000864132126 969320165 /nfs/dbraw/zinc/32/01/65/969320165.db2.gz KXJOKMLWYDXPCN-GVDBMIGSSA-N -1 0 333.403 3.565 20 0 EHADRM CC(C)(CCc1ccccc1)NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000864143806 969322916 /nfs/dbraw/zinc/32/29/16/969322916.db2.gz QWBVMHJDLSEMKX-PKNBQFBNSA-N -1 0 327.380 3.519 20 0 EHADRM Cc1occ(C(F)(F)F)c1C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC000901568621 969440424 /nfs/dbraw/zinc/44/04/24/969440424.db2.gz BFOGQPAVSZBWKE-JTQLQIEISA-N -1 0 335.322 3.616 20 0 EHADRM CC1(C)C[C@H](C(=O)Nc2cccc(CC(=O)[O-])c2)c2ccccc2O1 ZINC000909334090 969623544 /nfs/dbraw/zinc/62/35/44/969623544.db2.gz YKNANSHFSACINO-INIZCTEOSA-N -1 0 339.391 3.597 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2cc(-c3ccccc3)ccn2)c1 ZINC001595133085 970303072 /nfs/dbraw/zinc/30/30/72/970303072.db2.gz PYGXXASFMXUIQO-UHFFFAOYSA-N -1 0 332.359 3.628 20 0 EHADRM O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)Cc1ccsc1 ZINC000317477919 970362343 /nfs/dbraw/zinc/36/23/43/970362343.db2.gz QPCUVSHNFSPXSS-UHFFFAOYSA-N -1 0 329.299 3.646 20 0 EHADRM O=C([O-])c1sccc1NC(=O)c1cc2ccccc2c(Cl)n1 ZINC000318395091 970431340 /nfs/dbraw/zinc/43/13/40/970431340.db2.gz NCKZWFZQLKWWNI-UHFFFAOYSA-N -1 0 332.768 3.900 20 0 EHADRM C[C@H](C(=O)[O-])c1noc(-c2ccccc2OCc2ccc(F)cc2)n1 ZINC001609718043 970494982 /nfs/dbraw/zinc/49/49/82/970494982.db2.gz ITZXTKSSMUVLMD-NSHDSACASA-N -1 0 342.326 3.643 20 0 EHADRM C[C@@H](CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])c1nccs1 ZINC000319146742 970507205 /nfs/dbraw/zinc/50/72/05/970507205.db2.gz QXUTZPSTZPQVEW-ZETCQYMHSA-N -1 0 341.776 3.619 20 0 EHADRM Cc1sc(NC(=O)[C@H](C)Oc2ccccc2F)c(C(=O)[O-])c1C ZINC000319858327 970581703 /nfs/dbraw/zinc/58/17/03/970581703.db2.gz RFQFBJJLIWUQRC-VIFPVBQESA-N -1 0 337.372 3.608 20 0 EHADRM Cc1ccc(C)c(SCC(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC000319876065 970584379 /nfs/dbraw/zinc/58/43/79/970584379.db2.gz WJFUVXXAEJHJGE-UHFFFAOYSA-N -1 0 333.384 3.872 20 0 EHADRM Cc1ccccc1CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000319967412 970594955 /nfs/dbraw/zinc/59/49/55/970594955.db2.gz JGZBCLFZJJXVFK-UHFFFAOYSA-N -1 0 329.421 3.815 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)CCOc1cccc(Cl)c1 ZINC000320102229 970614248 /nfs/dbraw/zinc/61/42/48/970614248.db2.gz YOZYYYQTWXUFIC-UHFFFAOYSA-N -1 0 333.771 3.754 20 0 EHADRM O=C([O-])c1ccc(OCc2cnn(-c3ccccc3)c2)c(Cl)c1 ZINC000320447664 970666166 /nfs/dbraw/zinc/66/61/66/970666166.db2.gz JFULYQYCDJWCNZ-UHFFFAOYSA-N -1 0 328.755 3.803 20 0 EHADRM Cc1sc(NC(=O)[C@@H](C)Oc2cccc(C)c2)c(C(=O)[O-])c1C ZINC000320708066 970702943 /nfs/dbraw/zinc/70/29/43/970702943.db2.gz TUEXUWVXZCTWTF-LLVKDONJSA-N -1 0 333.409 3.778 20 0 EHADRM Cc1cc(Br)ccc1N(C)C(=O)c1cccc(C(=O)[O-])c1 ZINC001600073037 970755287 /nfs/dbraw/zinc/75/52/87/970755287.db2.gz YCFJASQDVQYBDQ-UHFFFAOYSA-N -1 0 348.196 3.732 20 0 EHADRM CSc1ccc(Cl)c(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)c1 ZINC001604964712 972551813 /nfs/dbraw/zinc/55/18/13/972551813.db2.gz BIEICNPBERTVQW-VHSXEESVSA-N -1 0 342.848 3.636 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2cc(-c3cccc(Cl)c3)on2)CCCC1 ZINC001605840095 972577331 /nfs/dbraw/zinc/57/73/31/972577331.db2.gz HMZNWCLFDUBIPS-UHFFFAOYSA-N -1 0 349.774 3.514 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)o1 ZINC000538007735 1032079039 /nfs/dbraw/zinc/07/90/39/1032079039.db2.gz CUSONIFSCZWYPL-UHFFFAOYSA-N -1 0 343.404 3.968 20 0 EHADRM CSCC(C)(C)C(=O)N=c1ccc(-c2ccc(Cl)s2)n[n-]1 ZINC000598868864 1033542493 /nfs/dbraw/zinc/54/24/93/1033542493.db2.gz KWHDDHJBZISTDE-UHFFFAOYSA-N -1 0 341.889 3.608 20 0 EHADRM CC1(C)CCCC[C@@H]1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001603328718 972681500 /nfs/dbraw/zinc/68/15/00/972681500.db2.gz BQDLSYHGXVAANI-PMPSAXMXSA-N -1 0 330.428 3.568 20 0 EHADRM CC1(C)CCc2ccccc2[C@@H](NC(=O)c2ccc(C(=O)[O-])cn2)C1 ZINC001603329562 972695052 /nfs/dbraw/zinc/69/50/52/972695052.db2.gz SAQNNXCSVAJGCJ-KRWDZBQOSA-N -1 0 338.407 3.613 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NC[C@]1(C)CCCc2ccccc21 ZINC001603340306 972734953 /nfs/dbraw/zinc/73/49/53/972734953.db2.gz ZQVYPWQWMTZAJO-FQEVSTJZSA-N -1 0 343.467 3.534 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CCC[C@](C)(c2ccccc2)C1 ZINC001603348358 972766334 /nfs/dbraw/zinc/76/63/34/972766334.db2.gz SYMMSZMRSGEBIF-FQEVSTJZSA-N -1 0 343.467 3.704 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@@H]2CCCc3c(F)cccc32)c1 ZINC001605138945 972806290 /nfs/dbraw/zinc/80/62/90/972806290.db2.gz ZHVCLIMYSCRHCI-QGZVFWFLSA-N -1 0 327.355 3.640 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N(C)Cc2ccc(F)cc2)cc1 ZINC000396351456 972861984 /nfs/dbraw/zinc/86/19/84/972861984.db2.gz FDFJKYCIEAIRKA-GFCCVEGCSA-N -1 0 330.359 3.678 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2Cl)cc1 ZINC000396366851 972866668 /nfs/dbraw/zinc/86/66/68/972866668.db2.gz ADOCDFCBHMYIEX-VIFPVBQESA-N -1 0 348.742 3.689 20 0 EHADRM CS[C@@H]1CCC[C@H](NC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)C1 ZINC000396429843 972883141 /nfs/dbraw/zinc/88/31/41/972883141.db2.gz HXBFIMXQIHTFTI-TUKIKUTGSA-N -1 0 336.457 3.670 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2CCSC(C)(C)CC2)cc1 ZINC000396467549 972896502 /nfs/dbraw/zinc/89/65/02/972896502.db2.gz WUBGGWMUDGIILE-LBPRGKRZSA-N -1 0 336.457 3.624 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cc(-c3ccccc3)no2)cc1 ZINC000396516031 972911210 /nfs/dbraw/zinc/91/12/10/972911210.db2.gz TUPXCAXXJXQUQL-LBPRGKRZSA-N -1 0 336.347 3.782 20 0 EHADRM CC1CCC(=CC(=O)Nc2sc3c(c2C(=O)[O-])CCOC3)CC1 ZINC001603379927 972942660 /nfs/dbraw/zinc/94/26/60/972942660.db2.gz ALGGHOWDMYABBD-UHFFFAOYSA-N -1 0 335.425 3.594 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 ZINC001603379962 972944534 /nfs/dbraw/zinc/94/45/34/972944534.db2.gz AXOCSMUVWHILPD-OCCSQVGLSA-N -1 0 346.427 3.632 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCCc1ccc2c(c1)CCCC2 ZINC001603379972 972944721 /nfs/dbraw/zinc/94/47/21/972944721.db2.gz AZQZVXIXOXYSJX-BEFAXECRSA-N -1 0 343.467 3.600 20 0 EHADRM CC(C)[C@H](CNC(=O)N[C@@H]1C[C@H](c2ccccc2)C[C@H](C)C1)C(=O)[O-] ZINC001603380171 972946017 /nfs/dbraw/zinc/94/60/17/972946017.db2.gz LBTYNDAFFKGQBX-RANZSIQMSA-N -1 0 346.471 3.615 20 0 EHADRM Cc1ccc(C(F)(F)F)c(NC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC001605257130 973035217 /nfs/dbraw/zinc/03/52/17/973035217.db2.gz YVWGQIIDGQQLKN-QWRGUYRKSA-N -1 0 344.333 3.588 20 0 EHADRM Cc1ccc(C2(CNC(=O)[C@@H](C(=O)[O-])C(C)C)CCCC2)c(C)c1 ZINC001605263352 973041658 /nfs/dbraw/zinc/04/16/58/973041658.db2.gz ULYYXYJXYQENRC-KRWDZBQOSA-N -1 0 331.456 3.588 20 0 EHADRM Cc1ccc(OC(=O)[C@@H](C(=O)[O-])C2CCCC2)cc1Br ZINC001605296506 973107675 /nfs/dbraw/zinc/10/76/75/973107675.db2.gz JKFFJZOKQDANJF-CYBMUJFWSA-N -1 0 341.201 3.554 20 0 EHADRM Cc1cccc([C@@H](NC(=O)CCc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC001605329204 973194403 /nfs/dbraw/zinc/19/44/03/973194403.db2.gz UZVSDTACTAPORT-QGZVFWFLSA-N -1 0 331.799 3.523 20 0 EHADRM Cc1ccnc(Oc2ccc(C(=O)Nc3ccc(C(=O)[O-])cn3)cc2)c1 ZINC001605365048 973297489 /nfs/dbraw/zinc/29/74/89/973297489.db2.gz CRBVEAFIJMSSQV-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM CC(C)=CCC[C@@H](C)CC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000400803086 973315764 /nfs/dbraw/zinc/31/57/64/973315764.db2.gz ZXECKQNWMVRFRA-CRAIPNDOSA-N -1 0 329.440 3.970 20 0 EHADRM O=C([O-])c1ccc(CNc2ccc(OC(F)(F)F)c(Cl)c2)nc1 ZINC000401203124 973342692 /nfs/dbraw/zinc/34/26/92/973342692.db2.gz PONORPHNNYRNAD-UHFFFAOYSA-N -1 0 346.692 3.944 20 0 EHADRM C[C@H]1Cc2c(C(=O)[O-])c(NC(=O)CCc3ccoc3)sc2[C@H](C)O1 ZINC001603475102 973362945 /nfs/dbraw/zinc/36/29/45/973362945.db2.gz JEUMOUZDDYGTMF-UWVGGRQHSA-N -1 0 349.408 3.633 20 0 EHADRM Cc1nc(-c2ccccc2)sc1NC(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC001605393251 973364841 /nfs/dbraw/zinc/36/48/41/973364841.db2.gz CYACFBMTIVXZGJ-NSHDSACASA-N -1 0 345.424 3.588 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2ccc(-c3cccs3)o2)C1 ZINC001606128650 973374643 /nfs/dbraw/zinc/37/46/43/973374643.db2.gz RWVISEOAGWRADF-GFCCVEGCSA-N -1 0 333.409 3.725 20 0 EHADRM C/C=C/COc1cccc(CC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC001603483271 973399138 /nfs/dbraw/zinc/39/91/38/973399138.db2.gz ZGWCIIPNMJHKOA-FUTAKVPZSA-N -1 0 347.455 3.580 20 0 EHADRM CC[C@H](CC(=O)N1CCC[C@@](CC)(C(=O)[O-])C1)c1ccc(OC)cc1 ZINC001603516729 973535963 /nfs/dbraw/zinc/53/59/63/973535963.db2.gz UQXOXRHWQCLENB-FOIQADDNSA-N -1 0 347.455 3.682 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1cccc(Oc2ccccc2)n1 ZINC001603527006 973571980 /nfs/dbraw/zinc/57/19/80/973571980.db2.gz PFRRDSSNRXLFJD-UHFFFAOYSA-N -1 0 328.368 3.703 20 0 EHADRM O=C([O-])CNc1nc(C2CCCCC2)nc2sc3c(c21)CCC3 ZINC001606268824 973640841 /nfs/dbraw/zinc/64/08/41/973640841.db2.gz CZCKHMAMJFSASD-UHFFFAOYSA-N -1 0 331.441 3.724 20 0 EHADRM CC[C@H](CNC(=O)Nc1ccc(C(=O)[O-])c(F)c1)CC(F)(F)F ZINC000402810603 973650972 /nfs/dbraw/zinc/65/09/72/973650972.db2.gz JQELQTXJWZWFCM-QMMMGPOBSA-N -1 0 336.285 3.624 20 0 EHADRM CC[C@H](CNC(=O)N[C@@H](C)c1ccc(SC(C)C)cc1)C(=O)[O-] ZINC001603560387 973668606 /nfs/dbraw/zinc/66/86/06/973668606.db2.gz XXWKOEQSEKCOFS-QWHCGFSZSA-N -1 0 338.473 3.658 20 0 EHADRM CC[C@H](CNC(=O)NCC1(c2ccccc2)CCCCCC1)C(=O)[O-] ZINC001603560638 973672218 /nfs/dbraw/zinc/67/22/18/973672218.db2.gz DSCQWXQCOXJUBN-MRXNPFEDSA-N -1 0 346.471 3.689 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)NCc1cc(C2CC2)ccc1F ZINC001606318194 973733675 /nfs/dbraw/zinc/73/36/75/973733675.db2.gz NXBWPHDCELWUIV-UHFFFAOYSA-N -1 0 342.370 3.652 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)NCC1(C(F)(F)F)CCCC1 ZINC001606318488 973735389 /nfs/dbraw/zinc/73/53/89/973735389.db2.gz UWQHBBDBIDJATG-UHFFFAOYSA-N -1 0 344.333 3.558 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cc(C(=O)[O-])ccc2F)CCc2ccccc21 ZINC000404798729 973750763 /nfs/dbraw/zinc/75/07/63/973750763.db2.gz UMTGDKMTEFCMSI-LBPRGKRZSA-N -1 0 342.370 3.718 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)N[C@@H](C)C(C)(C)c2ccccc2)C1 ZINC001603601928 973861514 /nfs/dbraw/zinc/86/15/14/973861514.db2.gz WEAZLMAHMYLFJK-YWZLYKJASA-N -1 0 346.471 3.639 20 0 EHADRM CCC1(CC)CCc2nc(NC(=O)[C@@H](C(=O)[O-])C(C)C)sc2C1 ZINC001603611689 973890670 /nfs/dbraw/zinc/89/06/70/973890670.db2.gz MDBCVUPFLLXODC-ZDUSSCGKSA-N -1 0 338.473 3.734 20 0 EHADRM O=C([O-])c1ccc(Br)c(NC(=O)[C@@H]2CC23CCCC3)c1 ZINC001606465636 973931239 /nfs/dbraw/zinc/93/12/39/973931239.db2.gz FIKUYVURNZZYTQ-JTQLQIEISA-N -1 0 338.201 3.666 20 0 EHADRM O=C([O-])c1ccc(C(=O)OCc2cc(Cl)sc2Cl)nc1 ZINC001606478339 973955836 /nfs/dbraw/zinc/95/58/36/973955836.db2.gz JRUNYRWWEKGHGV-UHFFFAOYSA-N -1 0 332.164 3.505 20 0 EHADRM Cc1ccc(SCCC(=O)NCc2ccc(C(=O)[O-])s2)cc1 ZINC000422563237 973995040 /nfs/dbraw/zinc/99/50/40/973995040.db2.gz FAXMZDBXUMCXBH-UHFFFAOYSA-N -1 0 335.450 3.553 20 0 EHADRM COc1ccc(CC(C)(C)NC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC001604780381 974009085 /nfs/dbraw/zinc/00/90/85/974009085.db2.gz MXBJZEYTVHNBKU-UHFFFAOYSA-N -1 0 342.395 3.536 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc(-c2ccccn2)cc1)C(=O)[O-] ZINC000424384068 974023380 /nfs/dbraw/zinc/02/33/80/974023380.db2.gz DWPGNFXACOAARH-UHFFFAOYSA-N -1 0 341.411 3.761 20 0 EHADRM CCSCc1ccc(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000424384407 974023440 /nfs/dbraw/zinc/02/34/40/974023440.db2.gz FAGMJGTXLMMRFS-AWEZNQCLSA-N -1 0 338.473 3.808 20 0 EHADRM COCc1cc(NC(=O)CCSc2ccccc2)cc(C(=O)[O-])c1 ZINC000427669094 974054309 /nfs/dbraw/zinc/05/43/09/974054309.db2.gz VUFGQIKKSHKSHH-UHFFFAOYSA-N -1 0 345.420 3.652 20 0 EHADRM CCCOc1ccc(CNC(=O)C2(C(=O)[O-])CCCCCC2)cc1 ZINC001603680259 974071070 /nfs/dbraw/zinc/07/10/70/974071070.db2.gz GLLUTRDVYOWRTE-UHFFFAOYSA-N -1 0 333.428 3.517 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cc(Oc2ccccc2)ccn1 ZINC000431787624 974075249 /nfs/dbraw/zinc/07/52/49/974075249.db2.gz WISNRHWYNKLOGW-UHFFFAOYSA-N -1 0 342.395 3.637 20 0 EHADRM O=C([O-])C1(CNC(=O)C[C@@H]2CCCc3ccccc32)CCCCC1 ZINC000431876328 974077621 /nfs/dbraw/zinc/07/76/21/974077621.db2.gz VFGIMKXINZITAW-INIZCTEOSA-N -1 0 329.440 3.648 20 0 EHADRM CCCCOc1ccc(C(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])cc1 ZINC000431888495 974078640 /nfs/dbraw/zinc/07/86/40/974078640.db2.gz XCRFICJNTOJJOS-QFBILLFUSA-N -1 0 333.428 3.629 20 0 EHADRM CCCc1ccc(CCCC(=O)Nc2cncc(C(=O)[O-])c2)cc1 ZINC001603691803 974080236 /nfs/dbraw/zinc/08/02/36/974080236.db2.gz LFORKMFTIMXOJR-UHFFFAOYSA-N -1 0 326.396 3.694 20 0 EHADRM Cc1ccc(C)c([C@@H](C)N(C)C(=O)Cc2ccccc2C(=O)[O-])c1 ZINC000432119145 974089139 /nfs/dbraw/zinc/08/91/39/974089139.db2.gz BIRIJGNBWDGONA-OAHLLOKOSA-N -1 0 325.408 3.764 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000435716242 974097429 /nfs/dbraw/zinc/09/74/29/974097429.db2.gz DWJYAOSRXTUNPB-DLBZAZTESA-N -1 0 325.408 3.703 20 0 EHADRM COc1cccc(CC(=O)Nc2c(C)cccc2C(=O)[O-])c1Cl ZINC001604862962 974104108 /nfs/dbraw/zinc/10/41/08/974104108.db2.gz KKPCJBPFLFTKBG-UHFFFAOYSA-N -1 0 333.771 3.536 20 0 EHADRM CCN(C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)[C@H](C)C(=O)[O-] ZINC001603714485 974126055 /nfs/dbraw/zinc/12/60/55/974126055.db2.gz JPAXLPNCLKNOGE-LLVKDONJSA-N -1 0 349.333 3.692 20 0 EHADRM Cc1ccc(C)c([C@@H](C)N(C)C(=O)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000448989883 974129461 /nfs/dbraw/zinc/12/94/61/974129461.db2.gz HKLHYXXTEUBHBH-OAHLLOKOSA-N -1 0 325.408 3.764 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)CCCc2cc(F)ccc2F)c2ccccc21 ZINC000450524454 974146642 /nfs/dbraw/zinc/14/66/42/974146642.db2.gz CBEASPJNVDRRKU-OAHLLOKOSA-N -1 0 345.345 3.503 20 0 EHADRM CSc1ccsc1C(=O)N[C@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000455919079 974169218 /nfs/dbraw/zinc/16/92/18/974169218.db2.gz DWMKWYUGYPYELG-YPMHNXCESA-N -1 0 349.477 3.532 20 0 EHADRM CC[C@H](C(=O)N[C@@H](C)[C@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC000455958248 974180012 /nfs/dbraw/zinc/18/00/12/974180012.db2.gz VTZMUVHEMGXACB-SNRMKQJTSA-N -1 0 339.435 3.628 20 0 EHADRM CC(C)Oc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2F)c(F)c1 ZINC000478840950 974210153 /nfs/dbraw/zinc/21/01/53/974210153.db2.gz KGVVEWHHOOMRIT-UHFFFAOYSA-N -1 0 335.306 3.703 20 0 EHADRM CCCOc1cc(F)ccc1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000478848804 974211414 /nfs/dbraw/zinc/21/14/14/974211414.db2.gz APTQFDATOGKOQP-UHFFFAOYSA-N -1 0 335.306 3.704 20 0 EHADRM CC(C)(C)OC(=O)Nc1csc(-c2cc(C(=O)[O-])ccc2CO)c1 ZINC000497175295 974263669 /nfs/dbraw/zinc/26/36/69/974263669.db2.gz DJAPICDVWNPJAU-UHFFFAOYSA-N -1 0 349.408 3.953 20 0 EHADRM Cc1oc(CN(C)C(=O)C2(C(F)(F)F)CCCCC2)cc1C(=O)[O-] ZINC000516492355 974307016 /nfs/dbraw/zinc/30/70/16/974307016.db2.gz KMHNPFXSPUKGFL-UHFFFAOYSA-N -1 0 347.333 3.757 20 0 EHADRM CCOC(=O)c1sc(NC(=O)CC(CC)CC)c(C(=O)[O-])c1C ZINC001603823946 974309566 /nfs/dbraw/zinc/30/95/66/974309566.db2.gz QBQZBMNRMMRJSU-UHFFFAOYSA-N -1 0 341.429 3.696 20 0 EHADRM O=C([O-])[C@H](c1ccccc1)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000519613569 974332039 /nfs/dbraw/zinc/33/20/39/974332039.db2.gz YNRGFSOQMTWIFH-IRXDYDNUSA-N -1 0 331.799 3.539 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2cc3cc(F)ccc3o2)c1 ZINC000527511863 974351985 /nfs/dbraw/zinc/35/19/85/974351985.db2.gz GNAOLRATQBFACZ-UHFFFAOYSA-N -1 0 327.311 3.841 20 0 EHADRM O=C([O-])c1ccc(CN2CCc3cccc(C(F)(F)F)c3C2)o1 ZINC000528748215 974352767 /nfs/dbraw/zinc/35/27/67/974352767.db2.gz HXABTVZTEBTZSZ-UHFFFAOYSA-N -1 0 325.286 3.555 20 0 EHADRM Cc1cccc([C@H](NC(=O)NC2CCC(C(=O)[O-])CC2)C(C)C)c1 ZINC000529221845 974352787 /nfs/dbraw/zinc/35/27/87/974352787.db2.gz IAFAJJPEVIYPJG-BDVYOWHSSA-N -1 0 332.444 3.635 20 0 EHADRM COc1ccc(S[C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000539606029 974397729 /nfs/dbraw/zinc/39/77/29/974397729.db2.gz QANCWNZLTACRPL-JTQLQIEISA-N -1 0 349.383 3.652 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000539676873 974399368 /nfs/dbraw/zinc/39/93/68/974399368.db2.gz OOXUGLDNPMCXDY-UHFFFAOYSA-N -1 0 331.371 3.818 20 0 EHADRM CCSCc1ccc(NC(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC001603896116 974400911 /nfs/dbraw/zinc/40/09/11/974400911.db2.gz WJXGKWSMZVSKHK-UHFFFAOYSA-N -1 0 345.420 3.655 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000539686702 974402357 /nfs/dbraw/zinc/40/23/57/974402357.db2.gz GGETWFNAGQSMKC-HNNXBMFYSA-N -1 0 331.456 3.846 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)NCc1csc2ccccc12 ZINC000540774431 974407449 /nfs/dbraw/zinc/40/74/49/974407449.db2.gz IBJITIZXDYKKBL-UHFFFAOYSA-N -1 0 339.416 3.849 20 0 EHADRM C[C@@H](CC(=O)NCC1(CC(=O)[O-])CCCCC1)c1cccc(F)c1 ZINC000540776216 974408478 /nfs/dbraw/zinc/40/84/78/974408478.db2.gz IDRWUFYJTGGPNB-AWEZNQCLSA-N -1 0 335.419 3.861 20 0 EHADRM Cc1cccc2[nH]cc(CC(=O)NCC3(CC(=O)[O-])CCCCC3)c21 ZINC000540777402 974409510 /nfs/dbraw/zinc/40/95/10/974409510.db2.gz QCKGZHYABZTKJW-UHFFFAOYSA-N -1 0 342.439 3.560 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)N[C@H](CC(F)(F)F)C(=O)[O-])cc1 ZINC000564164065 974545009 /nfs/dbraw/zinc/54/50/09/974545009.db2.gz YJYBFLPEDFVUFK-VQTKUKTRSA-N -1 0 343.345 3.735 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000564669395 974551595 /nfs/dbraw/zinc/55/15/95/974551595.db2.gz JCNVUXNIZJYNGF-RRIFGTCXSA-N -1 0 347.455 3.550 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000565226496 974575610 /nfs/dbraw/zinc/57/56/10/974575610.db2.gz XSXQARATYNKFFL-SDBXPKJASA-N -1 0 337.725 3.561 20 0 EHADRM Cc1cc([C@H]2CN([C@@H](C)c3ccc(C(=O)[O-])o3)CCO2)ccc1F ZINC000566361578 974609639 /nfs/dbraw/zinc/60/96/39/974609639.db2.gz KRIIAJNHKXCNEI-YVEFUNNKSA-N -1 0 333.359 3.560 20 0 EHADRM CC[C@H](C(=O)Nc1ccc(OC)cc1C(=O)[O-])c1ccc(OC)cc1 ZINC000567196370 974629371 /nfs/dbraw/zinc/62/93/71/974629371.db2.gz GLYVCKWVTYLIHC-HNNXBMFYSA-N -1 0 343.379 3.534 20 0 EHADRM Cc1ccccc1[C@H](C(=O)[O-])N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000568066327 974659158 /nfs/dbraw/zinc/65/91/58/974659158.db2.gz XLPRCPFQDHLWSS-GDIGMMSISA-N -1 0 343.398 3.722 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)NCC[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000568664184 974676542 /nfs/dbraw/zinc/67/65/42/974676542.db2.gz MRMRVJKMXYRLAQ-VXGBXAGGSA-N -1 0 345.361 3.816 20 0 EHADRM Cc1cc([C@@H](NC(=O)Cc2ccccc2C(=O)[O-])C2CC2)ccc1F ZINC000569260507 974688028 /nfs/dbraw/zinc/68/80/28/974688028.db2.gz SBVRJIWFWPGFLP-IBGZPJMESA-N -1 0 341.382 3.642 20 0 EHADRM Cc1ccccc1[C@H](C(=O)[O-])N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000570100104 974704992 /nfs/dbraw/zinc/70/49/92/974704992.db2.gz HCJDDJWOZAZIFQ-ZWKOTPCHSA-N -1 0 345.826 3.848 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)[C@H]2CCc3ccccc3C2)cc1)C(=O)[O-] ZINC000572008623 974739867 /nfs/dbraw/zinc/73/98/67/974739867.db2.gz XKITTZIVGLBZCP-KSSFIOAISA-N -1 0 337.419 3.693 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N(Cc2ccccc2)C(C)C)cc1C ZINC000107962836 1014213464 /nfs/dbraw/zinc/21/34/64/1014213464.db2.gz JTXZOAKVKOOLSD-XMMPIXPASA-N -1 0 343.492 3.848 20 0 EHADRM Cc1ncsc1CN(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000577500141 974836288 /nfs/dbraw/zinc/83/62/88/974836288.db2.gz QVVNCRHMNUHQLP-UHFFFAOYSA-N -1 0 344.358 3.557 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCCC[C@H]2C2CC2)C[C@H]1c1ccccc1 ZINC000578891408 974863898 /nfs/dbraw/zinc/86/38/98/974863898.db2.gz AGPMSUMMLKJUNM-ZSYWTGECSA-N -1 0 341.451 3.530 20 0 EHADRM O=C([O-])c1cc(F)ccc1CN1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000582792213 974931441 /nfs/dbraw/zinc/93/14/41/974931441.db2.gz SNYTVAWRTDUTIP-KRWDZBQOSA-N -1 0 349.789 3.751 20 0 EHADRM Cc1ccc(C[C@@H](Sc2nc(C(F)(F)F)ns2)C(=O)[O-])cc1 ZINC000583944977 974948084 /nfs/dbraw/zinc/94/80/84/974948084.db2.gz CSJVZGTZKTXVIB-SECBINFHSA-N -1 0 348.371 3.653 20 0 EHADRM Cc1c(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cnn1C(C)(C)C ZINC000611826095 975019148 /nfs/dbraw/zinc/01/91/48/975019148.db2.gz AUVKUOLQULWYKB-UHFFFAOYSA-N -1 0 335.791 3.550 20 0 EHADRM CC(C)Oc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000620423121 975026226 /nfs/dbraw/zinc/02/62/26/975026226.db2.gz JNFRVUKFSVDXJL-KRWDZBQOSA-N -1 0 345.370 3.559 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1cc2c(cccc2Cl)s1 ZINC000621540539 975029514 /nfs/dbraw/zinc/02/95/14/975029514.db2.gz YKWUEUSSINMFFB-UHFFFAOYSA-N -1 0 325.817 3.930 20 0 EHADRM C[C@@H](CC(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1)c1ccccc1 ZINC000621587382 975044539 /nfs/dbraw/zinc/04/45/39/975044539.db2.gz ARYGXHOBTJNDSI-SNRMKQJTSA-N -1 0 337.419 3.997 20 0 EHADRM CCc1ccsc1C(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000621587721 975045404 /nfs/dbraw/zinc/04/54/04/975045404.db2.gz INHCNVQLRXGDAI-GJZGRUSLSA-N -1 0 329.421 3.741 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ncc(C(=O)[O-])s1 ZINC000621607835 975056300 /nfs/dbraw/zinc/05/63/00/975056300.db2.gz CCOZSPIGYHXFQD-SNVBAGLBSA-N -1 0 332.425 3.630 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000621611345 975059928 /nfs/dbraw/zinc/05/99/28/975059928.db2.gz ASAZGCQMTZDGAR-OLZOCXBDSA-N -1 0 346.452 3.596 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)c1cccc(Oc2ccccc2)c1 ZINC000621619448 975063134 /nfs/dbraw/zinc/06/31/34/975063134.db2.gz IKRYKHXEUXWYCH-MRXNPFEDSA-N -1 0 339.391 3.948 20 0 EHADRM CC[C@@H](CCc1ccccc1)NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000626776065 975071103 /nfs/dbraw/zinc/07/11/03/975071103.db2.gz FQKXESULYXOQSJ-SFHVURJKSA-N -1 0 346.471 3.684 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000630108908 975104736 /nfs/dbraw/zinc/10/47/36/975104736.db2.gz AXIXDXXVLDMEOO-LBPRGKRZSA-N -1 0 331.368 3.631 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(OCCCC(=O)[O-])cc1)c1ccco1 ZINC000630144966 975128355 /nfs/dbraw/zinc/12/83/55/975128355.db2.gz USLAOIFFXWVHTC-CYBMUJFWSA-N -1 0 331.368 3.656 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)NCc2ccc(-c3ccccc3)s2)CC1 ZINC000630228757 975176904 /nfs/dbraw/zinc/17/69/04/975176904.db2.gz DUJVRDVGCXIFTB-SHTZXODSSA-N -1 0 343.448 3.922 20 0 EHADRM C[C@@H]1CCC[C@@H](CC(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)C1 ZINC000630239597 975184085 /nfs/dbraw/zinc/18/40/85/975184085.db2.gz WPJOYJBFTMSDFM-CHWSQXEVSA-N -1 0 333.403 3.625 20 0 EHADRM CCC[C@H](C)CC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC000630256347 975198790 /nfs/dbraw/zinc/19/87/90/975198790.db2.gz UQXRGQRXZWZKJN-JTQLQIEISA-N -1 0 329.343 3.794 20 0 EHADRM CC[C@H](CC(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1)C(C)C ZINC000630258093 975201159 /nfs/dbraw/zinc/20/11/59/975201159.db2.gz JKLQEARESTVQMQ-VXGBXAGGSA-N -1 0 325.380 3.688 20 0 EHADRM CCc1ccsc1C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC000630258442 975201567 /nfs/dbraw/zinc/20/15/67/975201567.db2.gz OMWCDARBWCZLNH-VIFPVBQESA-N -1 0 337.372 3.554 20 0 EHADRM C[C@@H](Oc1ccc(NC(=O)c2sccc2C2CC2)cc1F)C(=O)[O-] ZINC000630259940 975203454 /nfs/dbraw/zinc/20/34/54/975203454.db2.gz RXEBWBIBSCIGHD-SECBINFHSA-N -1 0 349.383 3.869 20 0 EHADRM CCC1(C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)CCC(F)(F)CC1 ZINC000630264190 975207002 /nfs/dbraw/zinc/20/70/02/975207002.db2.gz CDAQMMWXQRJOGS-AWEZNQCLSA-N -1 0 345.430 3.989 20 0 EHADRM CC(C)OCc1ccc(C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)cc1 ZINC000630265017 975208447 /nfs/dbraw/zinc/20/84/47/975208447.db2.gz KNZJWYQQDCMRSQ-SFHVURJKSA-N -1 0 347.455 3.623 20 0 EHADRM CC1(C)[C@H](c2ccc(F)cc2)CCN1C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000630266694 975210321 /nfs/dbraw/zinc/21/03/21/975210321.db2.gz BHBAHIGHABWMLK-ZOBUZTSGSA-N -1 0 347.430 3.811 20 0 EHADRM Cc1cc(Cl)ccc1C1=CCN(C(=O)C[C@@H](C)CC(=O)[O-])CC1 ZINC000630267763 975211268 /nfs/dbraw/zinc/21/12/68/975211268.db2.gz NIXLDZFCKRERSA-GFCCVEGCSA-N -1 0 335.831 3.765 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc(Cl)ccc2Cl)[C@H]2CCC[C@@H]21 ZINC000630275736 975220276 /nfs/dbraw/zinc/22/02/76/975220276.db2.gz UHOFBUGWADEGSP-GYSYKLTISA-N -1 0 342.222 3.709 20 0 EHADRM CC(C)Sc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)cc1 ZINC000630285519 975230327 /nfs/dbraw/zinc/23/03/27/975230327.db2.gz OBNDOLVZEBBUEV-ULQDDVLXSA-N -1 0 347.480 3.903 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)cc1 ZINC000630286075 975230479 /nfs/dbraw/zinc/23/04/79/975230479.db2.gz PRICRQICYHUFIW-ULQDDVLXSA-N -1 0 345.439 3.579 20 0 EHADRM CC(C)COc1cccc(NC(=O)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000630288220 975232245 /nfs/dbraw/zinc/23/22/45/975232245.db2.gz IYDZEIFZUMPHJV-UHFFFAOYSA-N -1 0 327.380 3.601 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC000630294316 975234843 /nfs/dbraw/zinc/23/48/43/975234843.db2.gz LJWBFUSDAGABHD-TVFCKZIOSA-N -1 0 329.440 3.720 20 0 EHADRM COc1ccc(N(CCC(C)C)C(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC000630296181 975235727 /nfs/dbraw/zinc/23/57/27/975235727.db2.gz YTHKHZGOGDHRRG-UHFFFAOYSA-N -1 0 345.395 3.988 20 0 EHADRM CC[C@H](CC(F)(F)F)NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000630296666 975236551 /nfs/dbraw/zinc/23/65/51/975236551.db2.gz GPSNAYUMWWEQJO-VHSXEESVSA-N -1 0 349.374 3.713 20 0 EHADRM CC[C@@H](CSc1ccccc1)NC(=O)c1ccc(C(=O)[O-])s1 ZINC000630297434 975236981 /nfs/dbraw/zinc/23/69/81/975236981.db2.gz OUQJSVCLIRXGBI-NSHDSACASA-N -1 0 335.450 3.747 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000630300807 975239793 /nfs/dbraw/zinc/23/97/93/975239793.db2.gz BHZPTBJENMYKLW-NHYWBVRUSA-N -1 0 325.355 3.519 20 0 EHADRM CCc1nc2sccc2c(N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)n1 ZINC000649403831 975416684 /nfs/dbraw/zinc/41/66/84/975416684.db2.gz UBHSFNTXBYGKOF-KGLIPLIRSA-N -1 0 339.420 3.979 20 0 EHADRM Cc1nc(-c2ccccc2)sc1NC(=O)NC1(CC(=O)[O-])CCC1 ZINC000649542851 975426634 /nfs/dbraw/zinc/42/66/34/975426634.db2.gz RQZAJUCOIWXRQP-UHFFFAOYSA-N -1 0 345.424 3.637 20 0 EHADRM Cc1c2cccc(C)c2oc1CN(C)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000650291402 975430689 /nfs/dbraw/zinc/43/06/89/975430689.db2.gz RAPKXTKYQJECOW-CABCVRRESA-N -1 0 343.423 3.899 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N2CCC[C@H]3CCCC[C@@H]32)c(C)c1 ZINC000107971197 1014260656 /nfs/dbraw/zinc/26/06/56/1014260656.db2.gz DLDRUZPDFRAICR-SAHWJRBASA-N -1 0 333.497 3.592 20 0 EHADRM CC(C)OC(=O)CS[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001591682066 975473621 /nfs/dbraw/zinc/47/36/21/975473621.db2.gz GJNHOUQMSVDGMR-GFCCVEGCSA-N -1 0 336.331 3.516 20 0 EHADRM CC(C)[C@H](C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)c1cccc(Cl)c1 ZINC000652124758 975511410 /nfs/dbraw/zinc/51/14/10/975511410.db2.gz RAAHGONLLWEOJB-BBWFWOEESA-N -1 0 349.858 3.649 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000652127519 975513073 /nfs/dbraw/zinc/51/30/73/975513073.db2.gz WDIAOHCADAWAOQ-UONOGXRCSA-N -1 0 347.411 3.532 20 0 EHADRM CCO[C@@H]1CCCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000652394765 975520792 /nfs/dbraw/zinc/52/07/92/975520792.db2.gz DYWGZPLFMMGGJX-RISCZKNCSA-N -1 0 332.227 3.620 20 0 EHADRM Cc1oc(CN2CC[C@H](Oc3ccccc3Cl)C2)cc1C(=O)[O-] ZINC000652435144 975530490 /nfs/dbraw/zinc/53/04/90/975530490.db2.gz QOOFMVIBSDUNDQ-LBPRGKRZSA-N -1 0 335.787 3.593 20 0 EHADRM CCOCCN(Cc1ccc(C(=O)[O-])o1)Cc1cccc(Cl)c1 ZINC000652472376 975544268 /nfs/dbraw/zinc/54/42/68/975544268.db2.gz KYCAJLDMRYOKLA-UHFFFAOYSA-N -1 0 337.803 3.670 20 0 EHADRM COC(=O)c1ccc(C(F)(F)F)nc1-c1cc(F)c([O-])cc1F ZINC001206755945 1014268290 /nfs/dbraw/zinc/26/82/90/1014268290.db2.gz RMGFKXOTNPYKKN-UHFFFAOYSA-N -1 0 333.212 3.538 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N2CCCC[C@H]2Cc2ccccc2)c1 ZINC000653640162 975605872 /nfs/dbraw/zinc/60/58/72/975605872.db2.gz WQTWBCUHPINHDW-IBGZPJMESA-N -1 0 337.419 3.551 20 0 EHADRM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cccc(CC(=O)[O-])c1 ZINC000653643055 975610888 /nfs/dbraw/zinc/61/08/88/975610888.db2.gz WMNLYDFUVIAGMV-HXPMCKFVSA-N -1 0 341.382 3.506 20 0 EHADRM O=C([O-])[C@@H](c1c(F)cccc1Cl)N1CCC[C@@H](OC2CCC2)C1 ZINC000656191954 975645131 /nfs/dbraw/zinc/64/51/31/975645131.db2.gz TYNAKBBSXZDTKY-MLGOLLRUSA-N -1 0 341.810 3.638 20 0 EHADRM C[C@H]1CN(Cc2cccc(C(=O)[O-])c2Cl)CC2(CCCCC2)O1 ZINC000656192536 975647265 /nfs/dbraw/zinc/64/72/65/975647265.db2.gz ZPIYXKUOSBQUFH-ZDUSSCGKSA-N -1 0 337.847 3.962 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)C2CCC(C3CC3)CC2)cc1 ZINC000659117822 975713394 /nfs/dbraw/zinc/71/33/94/975713394.db2.gz NUEPXGSPHLEIOX-PVARCSIZSA-N -1 0 345.439 3.544 20 0 EHADRM O=C([O-])CC1CCN(C(=O)Cc2ccc(C3CCCCC3)cc2)CC1 ZINC000659120808 975719191 /nfs/dbraw/zinc/71/91/91/975719191.db2.gz RYIFQYKPEFHJBA-UHFFFAOYSA-N -1 0 343.467 3.990 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[C@@H](Cc2ccc(C)cc2)C1 ZINC000659122238 975722091 /nfs/dbraw/zinc/72/20/91/975722091.db2.gz QEIPGWQHQGSKCX-INIZCTEOSA-N -1 0 341.407 3.690 20 0 EHADRM COc1cccc(C(=O)Nc2cc(C(=O)[O-])ccc2C)c1OC(C)C ZINC000659129337 975727887 /nfs/dbraw/zinc/72/78/87/975727887.db2.gz NBWVWOFOYLYYNW-UHFFFAOYSA-N -1 0 343.379 3.741 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001591737397 975738264 /nfs/dbraw/zinc/73/82/64/975738264.db2.gz VUJWDVHQSQMWBD-UHFFFAOYSA-N -1 0 349.774 3.864 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C[C@]23CCCC[C@H]2C3(F)F)C1 ZINC000659144957 975744545 /nfs/dbraw/zinc/74/45/45/975744545.db2.gz LFNGDMCJWUCTQI-PBFPGSCMSA-N -1 0 343.414 3.551 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N(C)CC(C)(C)c1ccc(C)cc1 ZINC000659145786 975745829 /nfs/dbraw/zinc/74/58/29/975745829.db2.gz MKCWLRVTEIOGHR-UHFFFAOYSA-N -1 0 329.396 3.644 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000659148745 975750433 /nfs/dbraw/zinc/75/04/33/975750433.db2.gz WZVBWSFGDHIJMD-BOLDSZDNSA-N -1 0 325.364 3.604 20 0 EHADRM CC(C)Oc1c(NC(=O)/C=C/c2cccc(O)c2)cccc1C(=O)[O-] ZINC001591741784 975758073 /nfs/dbraw/zinc/75/80/73/975758073.db2.gz QLZWWSNMMYAQEE-MDZDMXLPSA-N -1 0 341.363 3.530 20 0 EHADRM CC(C)Oc1c(NC(=O)N2C[C@H](C)[C@@H](C)[C@H]2C)cccc1C(=O)[O-] ZINC001591742027 975759524 /nfs/dbraw/zinc/75/95/24/975759524.db2.gz SRRZSCFCQCMFBA-YNEHKIRRSA-N -1 0 334.416 3.680 20 0 EHADRM CC[C@@H](CNC(=O)[C@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)[O-] ZINC000659164070 975763100 /nfs/dbraw/zinc/76/31/00/975763100.db2.gz NJYZCSCKJPSPPW-SUMWQHHRSA-N -1 0 345.826 3.699 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc3c(c2)CCC=C3)[C@H]2CCCC[C@H]12 ZINC000659189878 975785486 /nfs/dbraw/zinc/78/54/86/975785486.db2.gz HWLGCTDLFXIASV-QRVBRYPASA-N -1 0 339.435 3.752 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(F)c(Cl)c2)[C@@H]2CCCC[C@@H]12 ZINC000659191594 975789957 /nfs/dbraw/zinc/78/99/57/975789957.db2.gz LYUQNGMWHOYAOM-YWPYICTPSA-N -1 0 339.794 3.585 20 0 EHADRM Cc1ccc2oc(C(=O)N3CC[C@H](C(=O)[O-])[C@H]4CCCC[C@@H]43)cc2c1 ZINC000659196039 975800134 /nfs/dbraw/zinc/80/01/34/975800134.db2.gz SFIAYDVGMMLMNO-PMPSAXMXSA-N -1 0 341.407 3.847 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)NCc2ccoc2C(=O)[O-])cc1 ZINC000659200571 975806637 /nfs/dbraw/zinc/80/66/37/975806637.db2.gz JFLMJMDDAHOODC-ARJAWSKDSA-N -1 0 327.380 3.821 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)NCc1ccoc1C(=O)[O-] ZINC000659200677 975806674 /nfs/dbraw/zinc/80/66/74/975806674.db2.gz LKNGJPYBQFAFQU-UHFFFAOYSA-N -1 0 335.787 3.516 20 0 EHADRM CC1CC(C(=O)NCc2ccoc2C(=O)[O-])(c2cccc(Cl)c2)C1 ZINC000659200849 975808722 /nfs/dbraw/zinc/80/87/22/975808722.db2.gz GAVJIZLDJQGQAX-UHFFFAOYSA-N -1 0 347.798 3.615 20 0 EHADRM CCCN(Cc1ccccc1F)C(=O)CCc1ccccc1C(=O)[O-] ZINC000659215167 975826696 /nfs/dbraw/zinc/82/66/96/975826696.db2.gz BCNAQDYHCHZFOD-UHFFFAOYSA-N -1 0 343.398 3.895 20 0 EHADRM CC(C)(C(=O)[O-])n1cc(Nc2ncc(C(F)(F)F)cc2Cl)cn1 ZINC000662895398 975912772 /nfs/dbraw/zinc/91/27/72/975912772.db2.gz KFXIIVHVXFHIJM-UHFFFAOYSA-N -1 0 348.712 3.514 20 0 EHADRM CC(C)Oc1ccc(F)cc1NC(=O)NCCCCCCC(=O)[O-] ZINC001591778225 975938291 /nfs/dbraw/zinc/93/82/91/975938291.db2.gz ORMFWJGWZFQEDI-UHFFFAOYSA-N -1 0 340.395 3.770 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@@H](C)OC2CCCCC2)c(C(=O)[O-])c1 ZINC001591779775 975941520 /nfs/dbraw/zinc/94/15/20/975941520.db2.gz AXDBIOTUWXLUPC-CYBMUJFWSA-N -1 0 349.427 3.848 20 0 EHADRM CC(C)C[C@H](NC(=O)NCCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000666530804 975965800 /nfs/dbraw/zinc/96/58/00/975965800.db2.gz BOMNNJSGWJEONF-HNNXBMFYSA-N -1 0 340.851 3.981 20 0 EHADRM CC(C)[C@H](CNC(=O)NCCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000666547976 975970371 /nfs/dbraw/zinc/97/03/71/975970371.db2.gz WYGHIGHHFIDYOE-HNNXBMFYSA-N -1 0 340.851 3.634 20 0 EHADRM C[C@H](NC(=O)NCCCCC(=O)[O-])c1ccc(F)c2ccccc21 ZINC000666547936 975970732 /nfs/dbraw/zinc/97/07/32/975970732.db2.gz USJFVIAZYWJVLM-LBPRGKRZSA-N -1 0 332.375 3.594 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)NC2CCC(c3ccc(F)cc3)CC2)CC1 ZINC000668314611 975993621 /nfs/dbraw/zinc/99/36/21/975993621.db2.gz UBMMOFGGWMBELO-DWORIQLASA-N -1 0 347.430 3.859 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)cc1 ZINC000668323352 975997585 /nfs/dbraw/zinc/99/75/85/975997585.db2.gz VURZSXVFWFXIGE-SAABIXHNSA-N -1 0 341.382 3.519 20 0 EHADRM CC(C)Oc1ccccc1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O ZINC001591795663 975999129 /nfs/dbraw/zinc/99/91/29/975999129.db2.gz CAUQRHFSPYGWIR-UHFFFAOYSA-N -1 0 349.770 3.783 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000669435887 976002705 /nfs/dbraw/zinc/00/27/05/976002705.db2.gz TXPBRTSUIFFSDT-DYVFJYSZSA-N -1 0 341.382 3.609 20 0 EHADRM C[C@@H](Cc1ccc(NCc2ncccc2C(F)(F)F)cc1)C(=O)[O-] ZINC000669478104 976006168 /nfs/dbraw/zinc/00/61/68/976006168.db2.gz HJLOIVQTMZYNIO-NSHDSACASA-N -1 0 338.329 3.976 20 0 EHADRM CC(C)Oc1ccccc1C(F)(F)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001591801152 976016108 /nfs/dbraw/zinc/01/61/08/976016108.db2.gz JHQGVIPRGKLJOX-UHFFFAOYSA-N -1 0 349.333 3.903 20 0 EHADRM Cn1c2ccccc2c(Cl)c1C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000675996233 976025339 /nfs/dbraw/zinc/02/53/39/976025339.db2.gz ANTILUHVQIMNHQ-UHFFFAOYSA-N -1 0 348.830 3.739 20 0 EHADRM CC(C)Oc1ccccc1C[S@@](=O)CCc1ccccc1C(=O)[O-] ZINC001591804604 976029953 /nfs/dbraw/zinc/02/99/53/976029953.db2.gz LWNLRIVKCBQFQM-DEOSSOPVSA-N -1 0 346.448 3.663 20 0 EHADRM C[C@@H](C(=O)N1CCC(CC(=O)[O-])CC1)c1c(Cl)cccc1Cl ZINC000678977431 976033764 /nfs/dbraw/zinc/03/37/64/976033764.db2.gz UDDFQPJLTZNYAZ-SNVBAGLBSA-N -1 0 344.238 3.810 20 0 EHADRM Cc1ccc(CCC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)c(C)c1 ZINC000679103282 976044207 /nfs/dbraw/zinc/04/42/07/976044207.db2.gz QYKCNGUAMMFQRD-KRWDZBQOSA-N -1 0 331.456 3.585 20 0 EHADRM Cc1ccc(C(C)(C)C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000679102830 976044877 /nfs/dbraw/zinc/04/48/77/976044877.db2.gz IFJIVVYGCDVHJA-INIZCTEOSA-N -1 0 331.456 3.622 20 0 EHADRM O=C([O-])c1coc(C(=O)NC2(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000680527956 976056605 /nfs/dbraw/zinc/05/66/05/976056605.db2.gz ONXYKKKHZZRUQP-UHFFFAOYSA-N -1 0 340.162 3.704 20 0 EHADRM CC(C)Sc1ccc([C@H](C)NC(=O)c2ccc(C(=O)[O-])[nH]2)cc1 ZINC001591829037 976089206 /nfs/dbraw/zinc/08/92/06/976089206.db2.gz AGLKBDRFMFAICI-NSHDSACASA-N -1 0 332.425 3.704 20 0 EHADRM CCCC[C@@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000035095753 1014319336 /nfs/dbraw/zinc/31/93/36/1014319336.db2.gz JHEIQIOZTRKOLV-ZWNOBZJWSA-N -1 0 329.849 3.580 20 0 EHADRM CC(C)c1[nH]c(CN2CCCC[C@H]2c2cccn2C)cc1C(=O)[O-] ZINC001591912150 976337240 /nfs/dbraw/zinc/33/72/40/976337240.db2.gz FDARQUJLSBIQBT-KRWDZBQOSA-N -1 0 329.444 3.902 20 0 EHADRM CC(C)c1[nH]c(CN2CCCN(C)c3cc(F)ccc32)cc1C(=O)[O-] ZINC001591912726 976351096 /nfs/dbraw/zinc/35/10/96/976351096.db2.gz RGJFUTIXEMVXPY-UHFFFAOYSA-N -1 0 345.418 3.822 20 0 EHADRM CC(C)c1ccc(C(=O)N(Cc2ccccc2)[C@H](C)C(=O)[O-])c(O)c1 ZINC001591942637 976471162 /nfs/dbraw/zinc/47/11/62/976471162.db2.gz XFJTZNRJBMGICD-CQSZACIVSA-N -1 0 341.407 3.631 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)cc1 ZINC001591948575 976502271 /nfs/dbraw/zinc/50/22/71/976502271.db2.gz JTUKYEGNABZCNI-CUWKQTPXSA-N -1 0 329.440 3.529 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)NC[C@@H](CC2CC2)C(=O)[O-])cc1 ZINC001591949077 976504919 /nfs/dbraw/zinc/50/49/19/976504919.db2.gz QPXXYFXYCYIYSS-OAJJDEHYSA-N -1 0 329.440 3.830 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)OCc2oncc2C(=O)[O-])cc1 ZINC001591952410 976510291 /nfs/dbraw/zinc/51/02/91/976510291.db2.gz CHUYISFTYQTXGS-ONEGZZNKSA-N -1 0 329.352 3.643 20 0 EHADRM CC(C)c1ccc(CCCNC(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1 ZINC001591952446 976511549 /nfs/dbraw/zinc/51/15/49/976511549.db2.gz FCNMBSVBHJPBCI-UHFFFAOYSA-N -1 0 343.427 3.601 20 0 EHADRM CC(C)c1ccc(CCCNC(=O)/C=C/c2cc(C(=O)[O-])co2)cc1 ZINC001591952715 976514375 /nfs/dbraw/zinc/51/43/75/976514375.db2.gz NQTGOBCFQNGYNO-MDZDMXLPSA-N -1 0 341.407 3.863 20 0 EHADRM CC(C)c1ccc(CCCNC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])cc1 ZINC001591953330 976516675 /nfs/dbraw/zinc/51/66/75/976516675.db2.gz XMPQXCNMVOEOHU-ZWKOTPCHSA-N -1 0 346.471 3.685 20 0 EHADRM CC(C)c1ccccc1NC(=O)CSCc1cncc(C(=O)[O-])c1 ZINC001591995416 976640613 /nfs/dbraw/zinc/64/06/13/976640613.db2.gz WRIHNINYPWMFDR-UHFFFAOYSA-N -1 0 344.436 3.775 20 0 EHADRM CC(C)c1ccccc1NC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC001591998068 976645347 /nfs/dbraw/zinc/64/53/47/976645347.db2.gz MCBACJSXIQXJET-ZOBUZTSGSA-N -1 0 330.428 3.917 20 0 EHADRM CC(C)c1nc(NC(=O)C(C)(C)Nc2ccccc2)sc1C(=O)[O-] ZINC001592021389 976714908 /nfs/dbraw/zinc/71/49/08/976714908.db2.gz CKFMZJPLLGGRKK-UHFFFAOYSA-N -1 0 347.440 3.794 20 0 EHADRM CC(C)c1nc(NC(=O)c2cc(F)c(F)c(F)c2)sc1C(=O)[O-] ZINC001592028744 976730899 /nfs/dbraw/zinc/73/08/99/976730899.db2.gz RTLYDHUOECBDOX-UHFFFAOYSA-N -1 0 344.314 3.634 20 0 EHADRM CC(C)c1nc(NC(=O)[C@H](C)Cc2ccccc2)sc1C(=O)[O-] ZINC001592028902 976731727 /nfs/dbraw/zinc/73/17/27/976731727.db2.gz VBPUNIAAZWMKRA-LLVKDONJSA-N -1 0 332.425 3.782 20 0 EHADRM CC(C)c1ncsc1C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC001592042693 976771279 /nfs/dbraw/zinc/77/12/79/976771279.db2.gz RMAXRCIZCUQTBA-CYBMUJFWSA-N -1 0 332.425 3.602 20 0 EHADRM CC(C)c1ncsc1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O ZINC001592042800 976772655 /nfs/dbraw/zinc/77/26/55/976772655.db2.gz VCDDWZRCYSNZRE-UHFFFAOYSA-N -1 0 340.788 3.576 20 0 EHADRM CC(C)c1ncsc1NC(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC001592042885 976773762 /nfs/dbraw/zinc/77/37/62/976773762.db2.gz XOVCJOQNBNVSHV-SMDDNHRTSA-N -1 0 347.440 3.850 20 0 EHADRM CC(C)c1nnc(CSc2nc(C(F)(F)F)ccc2C(=O)[O-])o1 ZINC001592061332 976815150 /nfs/dbraw/zinc/81/51/50/976815150.db2.gz PKVZGHCDRIIXHG-UHFFFAOYSA-N -1 0 347.318 3.597 20 0 EHADRM CC(C)c1occc1C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC001592102431 976871198 /nfs/dbraw/zinc/87/11/98/976871198.db2.gz LOQOQERKYDECRN-UHFFFAOYSA-N -1 0 345.380 3.805 20 0 EHADRM CC(C)c1sc(NC(=O)c2cc3cccnc3s2)nc1C(=O)[O-] ZINC001592114437 976907249 /nfs/dbraw/zinc/90/72/49/976907249.db2.gz BKHDSDAANSAYCX-UHFFFAOYSA-N -1 0 347.421 3.827 20 0 EHADRM CC(C)n1ncc2cc(CSCc3cncc(C(=O)[O-])c3)cnc21 ZINC001592162877 977045636 /nfs/dbraw/zinc/04/56/36/977045636.db2.gz HSYXOUUCRYQCIC-UHFFFAOYSA-N -1 0 342.424 3.539 20 0 EHADRM C[C@H](/C=C/C(=O)[O-])NC(=O)CCCCc1ccc(Cl)c(Cl)c1 ZINC001592189420 977117803 /nfs/dbraw/zinc/11/78/03/977117803.db2.gz ABZRKAXRQHKSIR-OALRPVAKSA-N -1 0 344.238 3.852 20 0 EHADRM C[C@H](/C=C/C(=O)[O-])NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 ZINC001592193917 977156358 /nfs/dbraw/zinc/15/63/58/977156358.db2.gz RYYNPLGFAAVDOC-WTTYUVRNSA-N -1 0 345.395 3.713 20 0 EHADRM C[C@@H](/C=C\C(=O)[O-])NC(=O)c1cc(-c2ccccc2)ccc1Cl ZINC001592202360 977218136 /nfs/dbraw/zinc/21/81/36/977218136.db2.gz UHRHGTQWYAVIIX-UMAGTOLTSA-N -1 0 329.783 3.766 20 0 EHADRM C[C@H](CC(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1)c1ccccc1F ZINC001592245678 977472000 /nfs/dbraw/zinc/47/20/00/977472000.db2.gz JWQALPUPZAYEGH-YJYMSZOUSA-N -1 0 335.419 3.859 20 0 EHADRM Cc1noc(C)c1[C@@H](C)NC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000654790179 1014399663 /nfs/dbraw/zinc/39/96/63/1014399663.db2.gz IUDHTTBLUISKKY-SSDOTTSWSA-N -1 0 328.290 3.507 20 0 EHADRM C[C@@H](CC(=O)Nc1cc(CCC(=O)[O-])ccc1O)c1ccc(F)cc1 ZINC001592262175 977507005 /nfs/dbraw/zinc/50/70/05/977507005.db2.gz QSYRNKWCYLZMBX-LBPRGKRZSA-N -1 0 345.370 3.681 20 0 EHADRM C[C@@H](CC(=O)Nc1c(F)ccc(F)c1C(=O)[O-])c1ccccc1F ZINC001592262643 977509134 /nfs/dbraw/zinc/50/91/34/977509134.db2.gz XXPSBWLRHLEDRA-VIFPVBQESA-N -1 0 337.297 3.934 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)CCSc1cccc(Cl)c1)C1CC1 ZINC001592283037 977591949 /nfs/dbraw/zinc/59/19/49/977591949.db2.gz UPKQLMGJQRZAQJ-MRXNPFEDSA-N -1 0 341.860 3.582 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)Nc1ccc(SC(F)F)cc1)C1CC1 ZINC001592298050 977644045 /nfs/dbraw/zinc/64/40/45/977644045.db2.gz PXBLNNLDHVZLAM-HNNXBMFYSA-N -1 0 344.383 3.766 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)c1cc(Cl)c(F)cc1Cl)C1CC1 ZINC001592304617 977666374 /nfs/dbraw/zinc/66/63/74/977666374.db2.gz SDYWXPHSRGVSEM-AWEZNQCLSA-N -1 0 334.174 3.506 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N(Cc1ccc(F)cc1F)C1CCCC1 ZINC001592369904 977878894 /nfs/dbraw/zinc/87/88/94/977878894.db2.gz CMJPMMWHCSTWLU-LBPRGKRZSA-N -1 0 339.382 3.737 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)NCC1(c2ccc(F)cc2)CCCCC1 ZINC001592385144 977925510 /nfs/dbraw/zinc/92/55/10/977925510.db2.gz GIJZADZNHLYXCQ-CQSZACIVSA-N -1 0 335.419 3.645 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1nc(-c2cccc(Cl)c2)cs1 ZINC001592396037 977956915 /nfs/dbraw/zinc/95/69/15/977956915.db2.gz QXQNVKDWUUPSKN-SECBINFHSA-N -1 0 338.816 3.903 20 0 EHADRM C[C@H](CC1CCOCC1)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001592464655 978202063 /nfs/dbraw/zinc/20/20/63/978202063.db2.gz WPPCTJJVBRAYMG-OAHLLOKOSA-N -1 0 346.471 3.992 20 0 EHADRM C[C@@H](CCC1CC1)NC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001592476806 978238335 /nfs/dbraw/zinc/23/83/35/978238335.db2.gz CYWJWHJULJOKAX-LBPRGKRZSA-N -1 0 336.457 3.705 20 0 EHADRM C[C@@H](SC[C@@H](C)C(=O)[O-])C(=O)Nc1cccc(Cl)c1Cl ZINC000736620094 978345664 /nfs/dbraw/zinc/34/56/64/978345664.db2.gz WPDZJXUETCHMML-HTQZYQBOSA-N -1 0 336.240 3.774 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@H](C)Cc1ccccc1F)c1ccccc1 ZINC000736850368 978362424 /nfs/dbraw/zinc/36/24/24/978362424.db2.gz WDUAVELPVHCAMM-KDOFPFPSSA-N -1 0 343.398 3.901 20 0 EHADRM C[C@H](CCOC(=O)c1ccccc1C(=O)[O-])OCc1ccccc1 ZINC001592528876 978383268 /nfs/dbraw/zinc/38/32/68/978383268.db2.gz JNORKGWYRFRVPC-CQSZACIVSA-N -1 0 328.364 3.537 20 0 EHADRM C[C@@H](CCOC(=O)c1cc(C(=O)[O-])ccn1)c1c[nH]c2ccccc21 ZINC001592529675 978389255 /nfs/dbraw/zinc/38/92/55/978389255.db2.gz SRWXJZCNXHMMMB-LBPRGKRZSA-N -1 0 338.363 3.612 20 0 EHADRM C[C@@H](CCc1ccc(F)cc1)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001592539966 978420692 /nfs/dbraw/zinc/42/06/92/978420692.db2.gz MMNHVCQAVZIZKZ-ZDUSSCGKSA-N -1 0 341.386 3.693 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC001592541087 978427612 /nfs/dbraw/zinc/42/76/12/978427612.db2.gz UFXOVMIHQCBJPZ-SUMWQHHRSA-N -1 0 335.419 3.544 20 0 EHADRM C[C@@H](CN(C)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)c1ccccc1 ZINC001592575295 978477754 /nfs/dbraw/zinc/47/77/54/978477754.db2.gz WWPLLXFENNLFAV-NSHDSACASA-N -1 0 348.349 3.930 20 0 EHADRM C[C@@H](CN(C)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1)C(C)(C)C ZINC001592576596 978484501 /nfs/dbraw/zinc/48/45/01/978484501.db2.gz YDNSRWCFXOQVSB-JTQLQIEISA-N -1 0 341.477 3.651 20 0 EHADRM Cc1cc(/C=C\C(=O)NC(C)(C)C(=O)[O-])c(C)n1C1CCCCC1 ZINC000738231904 978504851 /nfs/dbraw/zinc/50/48/51/978504851.db2.gz WKQHJFOTGZPVIS-KHPPLWFESA-N -1 0 332.444 3.603 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)c1ccnc2ccccc21)C(=O)[O-] ZINC001592606346 978554502 /nfs/dbraw/zinc/55/45/02/978554502.db2.gz YCPYASRCOBRQLQ-OAHLLOKOSA-N -1 0 348.402 3.598 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)c1cccc2ccncc21)C(=O)[O-] ZINC001592606410 978555281 /nfs/dbraw/zinc/55/52/81/978555281.db2.gz ZFFGODALCIOONB-OAHLLOKOSA-N -1 0 348.402 3.598 20 0 EHADRM O=C([O-])CN(CCc1ccccc1)C(=O)/C=C/c1ccc(Cl)s1 ZINC000738603878 978570705 /nfs/dbraw/zinc/57/07/05/978570705.db2.gz FVRYAUOBMFTYNM-VQHVLOKHSA-N -1 0 349.839 3.571 20 0 EHADRM Cc1ccc(OC(=O)[C@@H](C)Oc2ccc3c(c2)CCC3)c(C(=O)[O-])c1 ZINC000738636587 978578154 /nfs/dbraw/zinc/57/81/54/978578154.db2.gz RJZRQORACGPXKO-CYBMUJFWSA-N -1 0 340.375 3.555 20 0 EHADRM Cc1cc(C)c(/C=C/C(=O)Nc2cccc(OCC(=O)[O-])c2)cc1C ZINC000746372078 978683971 /nfs/dbraw/zinc/68/39/71/978683971.db2.gz IASYBXVFADDZCA-BQYQJAHWSA-N -1 0 339.391 3.727 20 0 EHADRM O=C([O-])CCCC(=O)NCc1ccccc1Sc1ccccc1 ZINC000753975985 978695985 /nfs/dbraw/zinc/69/59/85/978695985.db2.gz INZTYUWCNIRZLC-UHFFFAOYSA-N -1 0 329.421 3.709 20 0 EHADRM Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000762139605 978717574 /nfs/dbraw/zinc/71/75/74/978717574.db2.gz BLNNSAKFLQCZSM-UHFFFAOYSA-N -1 0 346.339 3.801 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)c2c(n1)onc2C(C)C ZINC000766738562 978724952 /nfs/dbraw/zinc/72/49/52/978724952.db2.gz KLLJOHIMOYCKLZ-UHFFFAOYSA-N -1 0 339.351 3.605 20 0 EHADRM Cc1[nH]c2c(cccc2C(=O)N2CCc3cc(C(=O)[O-])ccc32)c1C ZINC000766842550 978726185 /nfs/dbraw/zinc/72/61/85/978726185.db2.gz DYOFABCACUYRLE-UHFFFAOYSA-N -1 0 334.375 3.686 20 0 EHADRM C[C@]1(C(=O)N2CCc3cc(C(=O)[O-])ccc32)CCCc2ccccc21 ZINC000766843949 978726615 /nfs/dbraw/zinc/72/66/15/978726615.db2.gz PNPLRBQEFFABBZ-NRFANRHFSA-N -1 0 335.403 3.568 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)CCc1ccc(Cl)s1 ZINC000766843968 978726672 /nfs/dbraw/zinc/72/66/72/978726672.db2.gz QIEXRZSTBAQKPO-UHFFFAOYSA-N -1 0 335.812 3.622 20 0 EHADRM CCS[C@@H]1CCCCN(C(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000811817692 978861856 /nfs/dbraw/zinc/86/18/56/978861856.db2.gz ZJJIWZNZBOEHED-GFCCVEGCSA-N -1 0 341.860 3.786 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)NCc2ccc(C3CC3)cc2)c1 ZINC000811823225 978868381 /nfs/dbraw/zinc/86/83/81/978868381.db2.gz PCOVLBOPIAIIBW-UHFFFAOYSA-N -1 0 329.783 3.846 20 0 EHADRM CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000826538797 978946461 /nfs/dbraw/zinc/94/64/61/978946461.db2.gz KMRAVHPWOQZFIL-PXUDHTSWSA-N -1 0 343.379 3.609 20 0 EHADRM C[C@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)C1CC(C)C1 ZINC000828156196 978972720 /nfs/dbraw/zinc/97/27/20/978972720.db2.gz GCLOYNLGXAZVOO-JVWICGRDSA-N -1 0 342.395 3.509 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)C/C=C/c2ccc(F)cc2)cc1 ZINC000830507206 979019179 /nfs/dbraw/zinc/01/91/79/979019179.db2.gz FMWGEUJKJUSCNO-NSCUHMNNSA-N -1 0 328.343 3.982 20 0 EHADRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)[C@@H]1CC=CCC1 ZINC000832848308 979050072 /nfs/dbraw/zinc/05/00/72/979050072.db2.gz ZPDZESTYGWVDAC-SNVBAGLBSA-N -1 0 338.201 3.751 20 0 EHADRM Cc1cccc2c(CC(=O)O[C@H](C(=O)[O-])c3ccccc3F)c[nH]c21 ZINC000832975555 979063118 /nfs/dbraw/zinc/06/31/18/979063118.db2.gz CVFBCFMLUSHHLQ-SFHVURJKSA-N -1 0 341.338 3.527 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1)C1CC1 ZINC001592683306 979110950 /nfs/dbraw/zinc/11/09/50/979110950.db2.gz XJQGUZCVXIHJJR-CYBMUJFWSA-N -1 0 345.443 3.543 20 0 EHADRM CC[C@@H](CC(=O)NC[C@@H](CC1CCCC1)C(=O)[O-])c1ccccc1 ZINC001595033003 979171937 /nfs/dbraw/zinc/17/19/37/979171937.db2.gz ADFGDCCUKXLHNF-FUHWJXTLSA-N -1 0 331.456 3.968 20 0 EHADRM C/C(=C\COC(=O)C(C)(C)CC(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000833383638 979176392 /nfs/dbraw/zinc/17/63/92/979176392.db2.gz NRVKSQZGCNVLOM-DHZHZOJOSA-N -1 0 338.787 3.513 20 0 EHADRM C[C@@H](Oc1ccccc1Cl)C(=O)OCc1ccccc1C(=O)[O-] ZINC000833543403 979201811 /nfs/dbraw/zinc/20/18/11/979201811.db2.gz SGYVYTVOKAFDMY-LLVKDONJSA-N -1 0 334.755 3.549 20 0 EHADRM CC[C@H](CC(F)(F)F)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001595038083 979207030 /nfs/dbraw/zinc/20/70/30/979207030.db2.gz CIESNVPEVJULAQ-DGCLKSJQSA-N -1 0 345.361 3.933 20 0 EHADRM CC[C@H](CC(F)F)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC001595042466 979235342 /nfs/dbraw/zinc/23/53/42/979235342.db2.gz MNITYZKYJDTCKR-SKDRFNHKSA-N -1 0 333.762 3.653 20 0 EHADRM CC[C@@H](CC(F)F)C(=O)N[C@@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001595042556 979235969 /nfs/dbraw/zinc/23/59/69/979235969.db2.gz OQWDRSBXVWCNNW-ZBEGNZNMSA-N -1 0 347.789 3.523 20 0 EHADRM C[C@@H](CNc1ncc(C(=O)[O-])cc1C(F)(F)F)Oc1ccccc1 ZINC001592730503 979249507 /nfs/dbraw/zinc/24/95/07/979249507.db2.gz WPKLXDGFVTZCTJ-JTQLQIEISA-N -1 0 340.301 3.678 20 0 EHADRM C[C@@H](CNc1nccnc1C(=O)[O-])c1c(Cl)cccc1Cl ZINC001592730525 979249696 /nfs/dbraw/zinc/24/96/96/979249696.db2.gz XAJDHNUPPPEOED-QMMMGPOBSA-N -1 0 326.183 3.697 20 0 EHADRM CCC(CC)(C(=O)[O-])c1csc(-c2ccc(OCCOC)cc2)n1 ZINC001595047672 979258316 /nfs/dbraw/zinc/25/83/16/979258316.db2.gz DELRWOMZDVDUMZ-UHFFFAOYSA-N -1 0 349.452 3.978 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC001595050324 979278172 /nfs/dbraw/zinc/27/81/72/979278172.db2.gz PEADSZRYLNBKHI-UHFFFAOYSA-N -1 0 346.349 3.946 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N3CCC[C@](C)(C(=O)[O-])C3)[nH]c2c1 ZINC000840944921 979285453 /nfs/dbraw/zinc/28/54/53/979285453.db2.gz LZZGVZQFZUQFTR-IBGZPJMESA-N -1 0 328.412 3.618 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2nc(Cc3ccccc3)cs2)C1 ZINC000842571954 979319780 /nfs/dbraw/zinc/31/97/80/979319780.db2.gz ZLPFEWVDGIQLKI-UONOGXRCSA-N -1 0 344.436 3.563 20 0 EHADRM CCC(CC)(CCSc1nnc(-c2ccoc2C)n1C)C(=O)[O-] ZINC001595063285 979322117 /nfs/dbraw/zinc/32/21/17/979322117.db2.gz RAVPXVUEEOCODS-UHFFFAOYSA-N -1 0 337.445 3.757 20 0 EHADRM CCC(CC)(CNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])c1ccccc1 ZINC001595071842 979343957 /nfs/dbraw/zinc/34/39/57/979343957.db2.gz PGHPJMLMFLGILO-DLBZAZTESA-N -1 0 331.456 3.752 20 0 EHADRM C[C@@H](COCC(=O)Oc1ccc(C(=O)[O-])cc1Cl)c1ccccc1 ZINC001592770407 979382619 /nfs/dbraw/zinc/38/26/19/979382619.db2.gz USDHVWQRTSTVAK-LBPRGKRZSA-N -1 0 348.782 3.764 20 0 EHADRM CCC(CC)(NC(=O)CCOc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC001595091003 979384128 /nfs/dbraw/zinc/38/41/28/979384128.db2.gz VRYDIIAAFDNKDC-UHFFFAOYSA-N -1 0 348.226 3.522 20 0 EHADRM CCC(CC)(NC(=O)CCCC(=O)c1c(C)cc(C)cc1C)C(=O)[O-] ZINC001595091030 979385086 /nfs/dbraw/zinc/38/50/86/979385086.db2.gz YXHCMOFPGIFZJY-UHFFFAOYSA-N -1 0 347.455 3.724 20 0 EHADRM CCC(CC)CN(CC)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001595111237 979455739 /nfs/dbraw/zinc/45/57/39/979455739.db2.gz AVAXJHZUENLZRM-UHFFFAOYSA-N -1 0 341.477 3.795 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)NCC2(C(=O)[O-])CCCC2)cc1 ZINC001595121200 979487578 /nfs/dbraw/zinc/48/75/78/979487578.db2.gz GBWPPBPHBOQZHS-UHFFFAOYSA-N -1 0 333.428 3.629 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(SC(F)F)cc2)CC2(CCC2)C1 ZINC000851592706 979501733 /nfs/dbraw/zinc/50/17/33/979501733.db2.gz ALXCIDBMOZWNKM-UHFFFAOYSA-N -1 0 341.379 3.975 20 0 EHADRM CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851594062 979504688 /nfs/dbraw/zinc/50/46/88/979504688.db2.gz FPSRNKGTUIAWRN-AGLBCWCQSA-N -1 0 331.393 3.589 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)N1C[C@H](C(=O)[O-])Cc2ccccc21 ZINC001595125628 979508549 /nfs/dbraw/zinc/50/85/49/979508549.db2.gz DEKVZHCSXOHLFZ-NVXWUHKLSA-N -1 0 329.440 3.883 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1ccccc1C(C)C ZINC000851598809 979517036 /nfs/dbraw/zinc/51/70/36/979517036.db2.gz GMOOKAVGQINJIE-UHFFFAOYSA-N -1 0 327.380 3.834 20 0 EHADRM O=C([O-])[C@@]1(c2ccccc2)CCN(C(=O)C2CC3(C2)CCCCC3)C1 ZINC000851609576 979536901 /nfs/dbraw/zinc/53/69/01/979536901.db2.gz WVBSUKCTSLEPRX-NRFANRHFSA-N -1 0 341.451 3.602 20 0 EHADRM C[C@H](CSC(F)(F)F)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001592825180 979540360 /nfs/dbraw/zinc/54/03/60/979540360.db2.gz PUTWXXYIQOEFRY-ZCFIWIBFSA-N -1 0 341.738 3.866 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000851619655 979548874 /nfs/dbraw/zinc/54/88/74/979548874.db2.gz WMDKRVPFTCIJLE-MDLDLJBGSA-N -1 0 345.414 3.721 20 0 EHADRM O=C([O-])C[C@@H](CNC(=O)c1sc2ccccc2c1Cl)C1CC1 ZINC000851620903 979551154 /nfs/dbraw/zinc/55/11/54/979551154.db2.gz VRPOCRZAPYEUDV-JTQLQIEISA-N -1 0 337.828 3.785 20 0 EHADRM C[C@@H](CSc1ccc(F)cc1)C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C ZINC001592830538 979556753 /nfs/dbraw/zinc/55/67/53/979556753.db2.gz YYROESMXXMCMQI-FZMZJTMJSA-N -1 0 341.448 3.560 20 0 EHADRM C[C@@H](Cc1c(Cl)cccc1Cl)Nc1ncncc1C(=O)[O-] ZINC001592831528 979557381 /nfs/dbraw/zinc/55/73/81/979557381.db2.gz CKBWQWSZKVJLEW-QMMMGPOBSA-N -1 0 326.183 3.525 20 0 EHADRM C[C@@H](Cc1c(Cl)cccc1Cl)Nc1ccc(C(=O)[O-])nn1 ZINC001592831977 979561671 /nfs/dbraw/zinc/56/16/71/979561671.db2.gz KINCIFACQWGNTI-QMMMGPOBSA-N -1 0 326.183 3.525 20 0 EHADRM C[C@@H](CSc1ccccc1)N(C)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001592832424 979565050 /nfs/dbraw/zinc/56/50/50/979565050.db2.gz RRTWPSNGCIEYPL-STRFDMGBSA-N -1 0 345.420 3.630 20 0 EHADRM C[C@@](Cc1ccc(F)cc1)(NC(=O)C1CCC(C2CC2)CC1)C(=O)[O-] ZINC001592845537 979615199 /nfs/dbraw/zinc/61/51/99/979615199.db2.gz CKEJPENSRDTPGD-PMTKGXAQSA-N -1 0 347.430 3.544 20 0 EHADRM CC[C@@H](CNC(=O)NCC1(CC(=O)[O-])CCCC1)c1ccccc1 ZINC001595149989 979637440 /nfs/dbraw/zinc/63/74/40/979637440.db2.gz LXEKBFWBZZMGIS-HNNXBMFYSA-N -1 0 332.444 3.515 20 0 EHADRM Cc1noc(C)c1CSCC(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000274706105 1014590713 /nfs/dbraw/zinc/59/07/13/1014590713.db2.gz OYEXFFBAXIYCOM-UHFFFAOYSA-N -1 0 344.795 3.661 20 0 EHADRM CC[C@@H](CNC(=O)NCCCCC1(C(=O)[O-])CCC1)c1ccccc1 ZINC001595150665 979643736 /nfs/dbraw/zinc/64/37/36/979643736.db2.gz XKZBRZYBRFXJDO-INIZCTEOSA-N -1 0 346.471 3.905 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001592854684 979655605 /nfs/dbraw/zinc/65/56/05/979655605.db2.gz VKMIEUKSNKLHEZ-SECBINFHSA-N -1 0 337.297 3.619 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)Cc2ccc(F)cc2Cl)cc1)C(=O)[O-] ZINC001592858743 979675897 /nfs/dbraw/zinc/67/58/97/979675897.db2.gz KSIFEXRAZSQNRH-NSHDSACASA-N -1 0 349.789 3.924 20 0 EHADRM O=C([O-])CC1CCN(C(=O)/C=C\c2ccc(F)c3ccccc23)CC1 ZINC000864100634 979683844 /nfs/dbraw/zinc/68/38/44/979683844.db2.gz UEVPNEQMTQDEFT-VURMDHGXSA-N -1 0 341.382 3.705 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N2CC3(CCC3)C[C@@H]2C)cc1)C(=O)[O-] ZINC001592860184 979688698 /nfs/dbraw/zinc/68/86/98/979688698.db2.gz GCYQBJKMVACZRI-KBPBESRZSA-N -1 0 330.428 3.746 20 0 EHADRM O=C([O-])c1coc(/C=C/C(=O)N(Cc2ccccc2)CC2CCC2)c1 ZINC000864106944 979695154 /nfs/dbraw/zinc/69/51/54/979695154.db2.gz WBEQGMHFNPCXJX-MDZDMXLPSA-N -1 0 339.391 3.820 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)o1 ZINC000864109005 979698141 /nfs/dbraw/zinc/69/81/41/979698141.db2.gz KUEORJFLHYUVCG-SXAWMYDMSA-N -1 0 343.354 3.788 20 0 EHADRM CCC[C@@](C)(NC(=O)/C=C/c1ccsc1C(F)(F)F)C(=O)[O-] ZINC000864113118 979704953 /nfs/dbraw/zinc/70/49/53/979704953.db2.gz OQOLFZOLAOUJTM-MUBLQREKSA-N -1 0 335.347 3.540 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1ccc(-c2ccccc2OC)s1)C(=O)[O-] ZINC000864114593 979706754 /nfs/dbraw/zinc/70/67/54/979706754.db2.gz ZANQWCZYTCKOCY-ZBEGNZNMSA-N -1 0 347.436 3.653 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)NC2(C(F)F)CCCC2)cc1)C(=O)[O-] ZINC001592867350 979714571 /nfs/dbraw/zinc/71/45/71/979714571.db2.gz OWWLJLLNEHAWLB-LLVKDONJSA-N -1 0 340.370 3.649 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1C(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000864119991 979715556 /nfs/dbraw/zinc/71/55/56/979715556.db2.gz RMGQIWSKGDDASU-GOSISDBHSA-N -1 0 339.391 3.770 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)NCC2CCC=CCC2)cc1)C(=O)[O-] ZINC001592867429 979715686 /nfs/dbraw/zinc/71/56/86/979715686.db2.gz QCQWVEQIQPYJKV-CQSZACIVSA-N -1 0 330.428 3.818 20 0 EHADRM O=C([O-])C1(CNC(=O)/C=C/c2ccsc2C(F)(F)F)CCCC1 ZINC000864122747 979720174 /nfs/dbraw/zinc/72/01/74/979720174.db2.gz VKKBSJZKZAUWQJ-ONEGZZNKSA-N -1 0 347.358 3.541 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2ccoc2C(F)(F)F)cc1)C(=O)[O-] ZINC001592871867 979725384 /nfs/dbraw/zinc/72/53/84/979725384.db2.gz ANLUTLBHQQFXRM-SECBINFHSA-N -1 0 341.285 3.814 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)/C=C/c1ccsc1C(F)(F)F ZINC000864126920 979726653 /nfs/dbraw/zinc/72/66/53/979726653.db2.gz NPDGVVYZFZFJRP-AATRIKPKSA-N -1 0 349.374 3.930 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)NCc2cccc(F)c2F)cc1)C(=O)[O-] ZINC001592872109 979727039 /nfs/dbraw/zinc/72/70/39/979727039.db2.gz JSTRLTRJKRSXHW-LLVKDONJSA-N -1 0 348.349 3.550 20 0 EHADRM CC[C@@H]1c2ccccc2CCN1C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000864128717 979729349 /nfs/dbraw/zinc/72/93/49/979729349.db2.gz RFJSJSYLMLQZKF-ZPUOCTKUSA-N -1 0 325.364 3.527 20 0 EHADRM Cc1ccccc1C[C@H](C)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000864135007 979737615 /nfs/dbraw/zinc/73/76/15/979737615.db2.gz GPRMINBSSHJKAP-HNNXBMFYSA-N -1 0 325.408 3.830 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)cc1C(=O)[O-] ZINC000864138102 979741273 /nfs/dbraw/zinc/74/12/73/979741273.db2.gz VWZUGQPJBJQVLB-OAHLLOKOSA-N -1 0 341.382 3.537 20 0 EHADRM CC[C@@H](CNc1ccccc1)NC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001595172430 979741912 /nfs/dbraw/zinc/74/19/12/979741912.db2.gz CVXONNMDYYGUCT-HNNXBMFYSA-N -1 0 341.411 3.705 20 0 EHADRM O=C([O-])CC1(NC(=O)/C=C/c2csc(C(F)(F)F)c2)CCCC1 ZINC000864142724 979748113 /nfs/dbraw/zinc/74/81/13/979748113.db2.gz OMILMVKIYDNXHB-ONEGZZNKSA-N -1 0 347.358 3.684 20 0 EHADRM Cc1cc2c(CC(=O)N3CC[C@H](C)C[C@H]3C(=O)[O-])csc2s1 ZINC000864147216 979752984 /nfs/dbraw/zinc/75/29/84/979752984.db2.gz IAGVHGMDSNXOEC-ZANVPECISA-N -1 0 337.466 3.525 20 0 EHADRM CC[C@@](CNc1ncncc1-c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC001595175797 979761555 /nfs/dbraw/zinc/76/15/55/979761555.db2.gz FWEMZYFTGVRCOJ-NRFANRHFSA-N -1 0 347.418 3.988 20 0 EHADRM CC[C@](CNc1nc2cccc(F)c2o1)(C(=O)[O-])c1ccccc1 ZINC001595176567 979768499 /nfs/dbraw/zinc/76/84/99/979768499.db2.gz VWQGTHQPHOXHCQ-GOSISDBHSA-N -1 0 328.343 3.811 20 0 EHADRM Cc1ccc([C@H]2CCN(C(=O)c3ccc(C)c(C(=O)[O-])c3)C2)c(C)c1 ZINC000864158275 979771177 /nfs/dbraw/zinc/77/11/77/979771177.db2.gz HCBVNRTZEHUFBB-KRWDZBQOSA-N -1 0 337.419 3.940 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)[C@@H](C)Cc1cccc(F)c1 ZINC001592885947 979772482 /nfs/dbraw/zinc/77/24/82/979772482.db2.gz UUOLAEONQWPQSP-LSDHHAIUSA-N -1 0 343.398 3.506 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001592889839 979774620 /nfs/dbraw/zinc/77/46/20/979774620.db2.gz BHPURCAGFUENFV-ZDUSSCGKSA-N -1 0 337.847 3.812 20 0 EHADRM O=C([O-])C1=CC[C@H](NC(=O)CC2CCC(c3ccccc3)CC2)C1 ZINC000864163000 979782023 /nfs/dbraw/zinc/78/20/23/979782023.db2.gz DFNOFUQHMDXVMK-PVARCSIZSA-N -1 0 327.424 3.640 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)c1cc(C(=O)[O-])ccc1Cl)C(F)(F)F ZINC000864178478 979824324 /nfs/dbraw/zinc/82/43/24/979824324.db2.gz BCEBBFUDBUSIRT-WRWORJQWSA-N -1 0 337.725 3.745 20 0 EHADRM Cc1ccc(N(CC2CC2)C(=O)c2ccc(C(=O)[O-])cc2)cc1F ZINC000864178704 979824778 /nfs/dbraw/zinc/82/47/78/979824778.db2.gz KBCCXBGQRXPXHL-UHFFFAOYSA-N -1 0 327.355 3.889 20 0 EHADRM CC1CC(C(=O)NCc2cc(C(=O)[O-])co2)(c2cccc(Cl)c2)C1 ZINC000864194846 979854636 /nfs/dbraw/zinc/85/46/36/979854636.db2.gz OTRXYLJHXYUEFN-UHFFFAOYSA-N -1 0 347.798 3.615 20 0 EHADRM Cc1ccc(C)c(OCCCCC(=O)N[C@@](C)(CC(=O)[O-])C2CC2)c1 ZINC000864198096 979867940 /nfs/dbraw/zinc/86/79/40/979867940.db2.gz CUQRJWUUVUEAOJ-FQEVSTJZSA-N -1 0 347.455 3.612 20 0 EHADRM C/C(Cl)=C/C(=O)N(Cc1ccoc1C(=O)[O-])[C@H](C)c1ccccn1 ZINC001592913167 979886164 /nfs/dbraw/zinc/88/61/64/979886164.db2.gz XXZZHXZTQHXPEL-UCQJPZFISA-N -1 0 348.786 3.605 20 0 EHADRM C[C@@H](Cc1nc(COc2cccc(C(=O)[O-])c2)no1)CC(C)(C)C ZINC001592913141 979886377 /nfs/dbraw/zinc/88/63/77/979886377.db2.gz WURPVSKPILZEAZ-LBPRGKRZSA-N -1 0 332.400 3.962 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)C[C@H](C)c2ccccc2F)c1 ZINC000864228724 979921677 /nfs/dbraw/zinc/92/16/77/979921677.db2.gz FWXUYGZTFNARFM-KSSFIOAISA-N -1 0 343.398 3.960 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)c1 ZINC000864232399 979930794 /nfs/dbraw/zinc/93/07/94/979930794.db2.gz ORKLCAIXTJFTIZ-IPMKNSEASA-N -1 0 337.419 3.739 20 0 EHADRM CC[C@@H](CSC)N(C)C(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC001595202252 979952493 /nfs/dbraw/zinc/95/24/93/979952493.db2.gz FDUFAULWKSUEEZ-NSHDSACASA-N -1 0 342.486 3.712 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-] ZINC001595210880 979985970 /nfs/dbraw/zinc/98/59/70/979985970.db2.gz KIAMOYCCZBKFOQ-UWVAXJGDSA-N -1 0 331.456 3.713 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)C(C)(F)F ZINC001592934292 979991640 /nfs/dbraw/zinc/99/16/40/979991640.db2.gz IFTIFSBPXPJKGS-QWHCGFSZSA-N -1 0 340.370 3.678 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC001595211754 979993799 /nfs/dbraw/zinc/99/37/99/979993799.db2.gz VBFXMHJQIAUSOB-MRXNPFEDSA-N -1 0 344.382 3.936 20 0 EHADRM CC(F)(F)c1ccc(C(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)cc1 ZINC001592944287 980020908 /nfs/dbraw/zinc/02/09/08/980020908.db2.gz XAVXWPSIGJEQJR-INIZCTEOSA-N -1 0 347.361 3.614 20 0 EHADRM C[C@@H](N(C)C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)C1(C)CC1 ZINC001592950655 980030439 /nfs/dbraw/zinc/03/04/39/980030439.db2.gz MCSIFDDIWWEGPF-MRVPVSSYSA-N -1 0 328.771 3.830 20 0 EHADRM CCC(F)(F)c1ccccc1NC(=O)NCC1(C(=O)[O-])CCCC1 ZINC001595224671 980069971 /nfs/dbraw/zinc/06/99/71/980069971.db2.gz DICOABWHHQSQHQ-UHFFFAOYSA-N -1 0 340.370 3.955 20 0 EHADRM CCC(F)(F)c1ccccc1NC(=O)[C@@H]1CC[C@H](CCC(=O)[O-])O1 ZINC001595226314 980075968 /nfs/dbraw/zinc/07/59/68/980075968.db2.gz SABWBWISMGDMGQ-RISCZKNCSA-N -1 0 341.354 3.539 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)CCc1cccc3ccccc31)CC2 ZINC000872764742 980151983 /nfs/dbraw/zinc/15/19/83/980151983.db2.gz DBKCPVJELUPBIS-NQIIRXRSSA-N -1 0 337.419 3.628 20 0 EHADRM CC[C@](NC(=O)CC(C1CC1)C1CC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595238181 980153428 /nfs/dbraw/zinc/15/34/28/980153428.db2.gz DBTKQAVPTJLSOV-LJQANCHMSA-N -1 0 349.858 3.972 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)c1sccc1-c1ccccc1)CC2 ZINC000872769323 980156830 /nfs/dbraw/zinc/15/68/30/980156830.db2.gz RSMLSLWDTUMYIQ-BEFAXECRSA-N -1 0 341.432 3.885 20 0 EHADRM C[C@H](NC(=O)[C@@H](C)[C@H](C)C(C)(C)C)c1ccc(OCC(=O)[O-])cc1 ZINC001592990808 980182407 /nfs/dbraw/zinc/18/24/07/980182407.db2.gz SLLBMOPJLSFTAD-IHRRRGAJSA-N -1 0 335.444 3.646 20 0 EHADRM CC[C@H](NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)[C@H]1CC1(C)C ZINC001595256364 980236671 /nfs/dbraw/zinc/23/66/71/980236671.db2.gz BFKMIKVRWUINFG-SKDRFNHKSA-N -1 0 326.343 3.609 20 0 EHADRM C[C@@](NC(=O)/C=C/Sc1ccccc1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593009820 980239567 /nfs/dbraw/zinc/23/95/67/980239567.db2.gz ZAOKGGIMCUPLHW-DXRVJIQQSA-N -1 0 345.395 3.548 20 0 EHADRM Cc1nn(C(C)C)c(C)c1CNc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000900042574 980239931 /nfs/dbraw/zinc/23/99/31/980239931.db2.gz DSLLNMFTPYQDKT-DLBZAZTESA-N -1 0 327.428 3.881 20 0 EHADRM C[C@@](NC(=O)CC1CCCC1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593014408 980254528 /nfs/dbraw/zinc/25/45/28/980254528.db2.gz ISAFPXLKVAPSKW-INIZCTEOSA-N -1 0 344.238 3.990 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(/C=C/C(=O)[O-])o1)c1ccc(Cl)cc1 ZINC001595268975 980281536 /nfs/dbraw/zinc/28/15/36/980281536.db2.gz AZCUGJGKOOGCEF-QSYFUGGGSA-N -1 0 333.771 3.912 20 0 EHADRM CC[C@@](NC(=O)c1ccccc1C(F)F)(C(=O)[O-])c1ccccc1 ZINC001595272433 980293204 /nfs/dbraw/zinc/29/32/04/980293204.db2.gz ZSMITLSUCVFFLI-SFHVURJKSA-N -1 0 333.334 3.744 20 0 EHADRM CC[C@](NC(=O)c1coc2c1cccc2C)(C(=O)[O-])c1ccccc1 ZINC001595274491 980294661 /nfs/dbraw/zinc/29/46/61/980294661.db2.gz IZSXEJABBJWQEO-HXUWFJFHSA-N -1 0 337.375 3.861 20 0 EHADRM CCC[C@H](NC(=O)c1sc2cccc(F)c2c1Cl)C(=O)[O-] ZINC000901492065 980315640 /nfs/dbraw/zinc/31/56/40/980315640.db2.gz XUDNWVJBDHWZIU-QMMMGPOBSA-N -1 0 329.780 3.677 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(CO)c(F)c2)cc1C(F)(F)F ZINC001211491910 1014652317 /nfs/dbraw/zinc/65/23/17/1014652317.db2.gz HCKZBTCPMNIWMJ-UHFFFAOYSA-N -1 0 329.249 3.779 20 0 EHADRM CC[C@@H](Nc1nc(C)cc(C(=O)[O-])n1)c1ccccc1OC(F)F ZINC001595322719 980516118 /nfs/dbraw/zinc/51/61/18/980516118.db2.gz IQSGLJMIAGFTHL-LLVKDONJSA-N -1 0 337.326 3.648 20 0 EHADRM O=C([O-])[C@H](C[C@@H]1CCCc2ccccc21)NCc1cc(C2CC2)no1 ZINC000901842900 980563625 /nfs/dbraw/zinc/56/36/25/980563625.db2.gz MTQDSFCNOVQAGW-KXBFYZLASA-N -1 0 340.423 3.605 20 0 EHADRM Cc1ccc([C@H](NCc2cnc([C@@H]3CCCO3)s2)C(=O)[O-])cc1C ZINC000901852119 980577734 /nfs/dbraw/zinc/57/77/34/980577734.db2.gz XLQSFDKVGPCTQN-HOTGVXAUSA-N -1 0 346.452 3.527 20 0 EHADRM CC[C@H](OC(=O)CCc1nc(C)c(-c2ccccc2)o1)[C@H](C)C(=O)[O-] ZINC001595340164 980616761 /nfs/dbraw/zinc/61/67/61/980616761.db2.gz KZTYKHHMZUIWTC-WFASDCNBSA-N -1 0 345.395 3.625 20 0 EHADRM CC[C@H](OC(=O)c1c(C)coc1CC(=O)[O-])c1cccc(OC)c1 ZINC001595344424 980627031 /nfs/dbraw/zinc/62/70/31/980627031.db2.gz KPDRARKBCKJWMI-AWEZNQCLSA-N -1 0 332.352 3.532 20 0 EHADRM CC[C@H](OC(=O)c1cccc(CC(=O)[O-])c1)c1ccnc(Cl)c1 ZINC001595351516 980658043 /nfs/dbraw/zinc/65/80/43/980658043.db2.gz FYKNHWMGUYLJJQ-AWEZNQCLSA-N -1 0 333.771 3.670 20 0 EHADRM CC[C@@H](OC(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1)C(=O)[O-] ZINC001595352103 980665062 /nfs/dbraw/zinc/66/50/62/980665062.db2.gz RZBAOOASXCIVIW-OAHLLOKOSA-N -1 0 343.310 3.654 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001595355913 980706486 /nfs/dbraw/zinc/70/64/86/980706486.db2.gz RACIQIFYYZGLRB-QGZVFWFLSA-N -1 0 348.443 3.517 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)OCc1cc(C(=O)[O-])ccc1C ZINC001595357296 980720965 /nfs/dbraw/zinc/72/09/65/980720965.db2.gz XIGPYJXQOWNVSO-QGZVFWFLSA-N -1 0 334.412 3.864 20 0 EHADRM CC[C@@H](Oc1ccccc1F)C(=O)OCc1cc(C(=O)[O-])ccc1C ZINC001595358042 980728360 /nfs/dbraw/zinc/72/83/60/980728360.db2.gz YWNCYWWYPJLDGS-MRXNPFEDSA-N -1 0 346.354 3.733 20 0 EHADRM CCc1oc(CNCc2ccc(F)cc2C(F)(F)F)cc1C(=O)[O-] ZINC000902097315 980732217 /nfs/dbraw/zinc/73/22/17/980732217.db2.gz XGOFFTRDJPPOEA-UHFFFAOYSA-N -1 0 345.292 3.988 20 0 EHADRM COc1ccc(OC(F)F)c(N[C@@H]2CC[C@H](CC(=O)[O-])[C@@H]2C)c1 ZINC000902104683 980736572 /nfs/dbraw/zinc/73/65/72/980736572.db2.gz CLGZFCDRCSKLQT-HOSYDEDBSA-N -1 0 329.343 3.598 20 0 EHADRM C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000902105151 980736660 /nfs/dbraw/zinc/73/66/60/980736660.db2.gz GZBDGQDYAHYWFE-BODMPHMZSA-N -1 0 333.428 3.546 20 0 EHADRM COc1ccc(OC(F)F)c(N[C@@H]2CC[C@@H](CC(=O)[O-])[C@H]2C)c1 ZINC000902104685 980736745 /nfs/dbraw/zinc/73/67/45/980736745.db2.gz CLGZFCDRCSKLQT-JFGNBEQYSA-N -1 0 329.343 3.598 20 0 EHADRM CN(C)C(=O)Cc1ccc(N[C@@H]2CCC[C@@H](CCCC(=O)[O-])C2)cc1 ZINC000902113005 980740571 /nfs/dbraw/zinc/74/05/71/980740571.db2.gz SAHMQJMHJQWSLJ-MAUKXSAKSA-N -1 0 346.471 3.543 20 0 EHADRM O=C([O-])CCC[C@@H]1CCC[C@H](Nc2cccc(Cn3cncn3)c2)C1 ZINC000902120080 980744082 /nfs/dbraw/zinc/74/40/82/980744082.db2.gz YFDPWCPPMNCRBN-RDJZCZTQSA-N -1 0 342.443 3.552 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)/C(C)=C/c1cccnc1 ZINC001595359971 980746464 /nfs/dbraw/zinc/74/64/64/980746464.db2.gz OTCNOYZBPMRCJS-NKAIQICCSA-N -1 0 338.407 3.549 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)CC1CCC(OC)CC1 ZINC001595360844 980755949 /nfs/dbraw/zinc/75/59/49/980755949.db2.gz BHEKBNGUXDATSI-VMWRSERWSA-N -1 0 347.455 3.646 20 0 EHADRM CCc1oc(CNc2ccc(OC[C@@H]3CCCO3)cc2)cc1C(=O)[O-] ZINC000902148346 980758094 /nfs/dbraw/zinc/75/80/94/980758094.db2.gz NXAWXOXHDKFBKZ-HNNXBMFYSA-N -1 0 345.395 3.710 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)OCCc1ccccc1 ZINC001595361594 980763168 /nfs/dbraw/zinc/76/31/68/980763168.db2.gz KBNQBUCSKLOKCI-SFHVURJKSA-N -1 0 341.407 3.904 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])Cc1ccc(C(=O)OC)s1 ZINC001595362292 980769698 /nfs/dbraw/zinc/76/96/98/980769698.db2.gz AJWDBTHPGYWVIC-HNNXBMFYSA-N -1 0 347.436 3.573 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(C)C)C(=O)CCSCC(=O)[O-] ZINC001595363094 980778320 /nfs/dbraw/zinc/77/83/20/980778320.db2.gz ANDZCUFEUGYNKT-INIZCTEOSA-N -1 0 337.485 3.830 20 0 EHADRM C[C@H](Nc1ccc(NC(=O)N2CCCCCC2)cc1)[C@H]1C[C@H]1C(=O)[O-] ZINC000902200462 980780173 /nfs/dbraw/zinc/78/01/73/980780173.db2.gz BSDFFDPEIDNJIZ-IAOVAPTHSA-N -1 0 345.443 3.616 20 0 EHADRM O=C(c1ccc2oc(=O)nc-2[n-]1)N1CCCCC[C@@H]1c1ccccc1 ZINC000646883834 1014683268 /nfs/dbraw/zinc/68/32/68/1014683268.db2.gz OGMWNRSIDSMGCX-OAHLLOKOSA-N -1 0 337.379 3.686 20 0 EHADRM C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1Nc1cccc(NC(=O)c2ccoc2)c1 ZINC000902203486 980781634 /nfs/dbraw/zinc/78/16/34/980781634.db2.gz MTOPWSTYFUHFQG-IGCXYCKISA-N -1 0 342.395 3.833 20 0 EHADRM CC[C@@H](c1ccccc1OC)N(C)C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001595363847 980787558 /nfs/dbraw/zinc/78/75/58/980787558.db2.gz KGOXXPSYSPZCFA-INIZCTEOSA-N -1 0 345.370 3.756 20 0 EHADRM CC[C@]1(C)CCCN(C(=O)Nc2cc(COC)cc(C(=O)[O-])c2)C1 ZINC001595368535 980827596 /nfs/dbraw/zinc/82/75/96/980827596.db2.gz FLPXCLUMKRPMOZ-GOSISDBHSA-N -1 0 334.416 3.575 20 0 EHADRM CCOc1ccccc1[C@H](CC(C)C)NCc1cc(C(=O)[O-])no1 ZINC000902349513 980845225 /nfs/dbraw/zinc/84/52/25/980845225.db2.gz DZFLKMZPGFFTTK-HNNXBMFYSA-N -1 0 332.400 3.649 20 0 EHADRM C[C@H](Nc1cccc(NC(=O)C2CCCCC2)c1)[C@@H]1C[C@H]1C(=O)[O-] ZINC000902368435 980856647 /nfs/dbraw/zinc/85/66/47/980856647.db2.gz QWJCKJHOTLUDDF-AFAVFJNCSA-N -1 0 330.428 3.727 20 0 EHADRM CCC1(CC)[C@H](NC(=O)Nc2cc(C)cc(C(=O)[O-])c2)[C@H](C)[C@H]1OC ZINC001595373683 980875359 /nfs/dbraw/zinc/87/53/59/980875359.db2.gz NJWXZZXZZYHPEJ-APHBMKBZSA-N -1 0 348.443 3.654 20 0 EHADRM CCC1(CC)CCC(NC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)CC1 ZINC001595374309 980882443 /nfs/dbraw/zinc/88/24/43/980882443.db2.gz BUTJCJISUHKVBJ-BEFAXECRSA-N -1 0 336.476 3.774 20 0 EHADRM CC[C@@]1(CCc2ccccc2)CCCN1c1ccnc(C(=O)[O-])n1 ZINC001595376926 980909748 /nfs/dbraw/zinc/90/97/48/980909748.db2.gz RXARUBJMXQSXBS-IBGZPJMESA-N -1 0 325.412 3.557 20 0 EHADRM CC(C)C(=O)c1ccc([C@H](C)C(=O)NC2(CC(=O)[O-])CCCC2)cc1 ZINC000902768806 980944148 /nfs/dbraw/zinc/94/41/48/980944148.db2.gz QSXKOQFWCPXYRN-AWEZNQCLSA-N -1 0 345.439 3.533 20 0 EHADRM CC[C@@H]1[C@@H](C)CCN1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001595404933 980984272 /nfs/dbraw/zinc/98/42/72/980984272.db2.gz NCOLXJFKBXIYQV-XJKSGUPXSA-N -1 0 345.443 3.637 20 0 EHADRM O=C([O-])c1ccc(Br)c(C[N@@H+]2CCC[C@@H](CCF)C2)c1 ZINC000903906533 981030997 /nfs/dbraw/zinc/03/09/97/981030997.db2.gz KHJRDOPDRZJAKS-NSHDSACASA-N -1 0 344.224 3.719 20 0 EHADRM CC[C@@H]1CCCC[C@H]1C(=O)N1CCCC[C@H]1c1ccc(C(=O)[O-])n1C ZINC001595441892 981080872 /nfs/dbraw/zinc/08/08/72/981080872.db2.gz VHLUSLWPKCBYFL-INMHGKMJSA-N -1 0 346.471 3.993 20 0 EHADRM CC[C@H]1CCCC[C@@H]1CNC(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001595442103 981082410 /nfs/dbraw/zinc/08/24/10/981082410.db2.gz YJPZRUZDNLKWRQ-WMLDXEAASA-N -1 0 344.455 3.669 20 0 EHADRM CC[C@H]1CN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CCCO1 ZINC001595480559 981198039 /nfs/dbraw/zinc/19/80/39/981198039.db2.gz KBEFMVDOQDHVKS-UONOGXRCSA-N -1 0 332.227 3.620 20 0 EHADRM CSc1ccc(CCC(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000907639547 981203641 /nfs/dbraw/zinc/20/36/41/981203641.db2.gz JTQHFPHDMGVVEM-MRXNPFEDSA-N -1 0 341.432 3.556 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)Nc1cccc(C)c1OCc1ccccc1 ZINC000907973407 981248032 /nfs/dbraw/zinc/24/80/32/981248032.db2.gz ZUUNWQCKQQORQV-HNNXBMFYSA-N -1 0 327.380 3.623 20 0 EHADRM C[C@@H](CC(=O)NCCCCC1(C(=O)[O-])CCC1)c1cccc(F)c1 ZINC000908340060 981304708 /nfs/dbraw/zinc/30/47/08/981304708.db2.gz UQVXXMLEDXEMIS-AWEZNQCLSA-N -1 0 335.419 3.861 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CCC(=O)NCCCCC2(C(=O)[O-])CCC2)o1 ZINC000908345070 981305751 /nfs/dbraw/zinc/30/57/51/981305751.db2.gz XSDSHEGVVBUHSN-GOEBONIOSA-N -1 0 347.455 3.877 20 0 EHADRM COc1c(NC(=O)C[C@@H]2CCc3ccccc3C2)cccc1C(=O)[O-] ZINC000908508626 981320797 /nfs/dbraw/zinc/32/07/97/981320797.db2.gz VVWAWZJJZGNVSK-CYBMUJFWSA-N -1 0 339.391 3.527 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000908653505 981335264 /nfs/dbraw/zinc/33/52/64/981335264.db2.gz FIBDILOFJMQGSY-KRWDZBQOSA-N -1 0 345.439 3.581 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)nn1C1CCCCC1 ZINC000908673601 981336795 /nfs/dbraw/zinc/33/67/95/981336795.db2.gz OBHFZDRHNZSTGG-UHFFFAOYSA-N -1 0 327.384 3.647 20 0 EHADRM CC(C)CN(CC(C)C)C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC000908686469 981339909 /nfs/dbraw/zinc/33/99/09/981339909.db2.gz BHSDVKCPTAGFOZ-UHFFFAOYSA-N -1 0 330.428 3.549 20 0 EHADRM CCCC(=CC(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-])CCC ZINC001595522936 981346019 /nfs/dbraw/zinc/34/60/19/981346019.db2.gz ZMWBLLHYIVBLIZ-INIZCTEOSA-N -1 0 335.419 3.712 20 0 EHADRM O=C([O-])C12CCC(C(=O)Nc3cccc(-c4cnco4)c3)(CC1)CC2 ZINC000908729840 981349781 /nfs/dbraw/zinc/34/97/81/981349781.db2.gz MKPUACQFVJRZDW-UHFFFAOYSA-N -1 0 340.379 3.705 20 0 EHADRM CC(C)OCc1cccc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC000908763243 981357128 /nfs/dbraw/zinc/35/71/28/981357128.db2.gz PLXSJWGCQRNXLM-UHFFFAOYSA-N -1 0 345.439 3.975 20 0 EHADRM C[C@H](NC(=O)C12CCC(C(=O)[O-])(CC1)C2)C(C)(C)c1ccccc1 ZINC000908773473 981360009 /nfs/dbraw/zinc/36/00/09/981360009.db2.gz KGVJLYCATQHXNT-JAGHRAMZSA-N -1 0 329.440 3.504 20 0 EHADRM CC[C@H](C)[C@@H](C)N(C(=O)c1[nH]c2ccccc2c1CC(=O)[O-])C1CC1 ZINC000908785610 981362317 /nfs/dbraw/zinc/36/23/17/981362317.db2.gz HZJOMIOKCAQWQJ-QWHCGFSZSA-N -1 0 342.439 3.834 20 0 EHADRM CC[C@@H](C)[C@H](C)N(C(=O)c1[nH]c2ccccc2c1CC(=O)[O-])C1CC1 ZINC000908785609 981362408 /nfs/dbraw/zinc/36/24/08/981362408.db2.gz HZJOMIOKCAQWQJ-OLZOCXBDSA-N -1 0 342.439 3.834 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1cccn1C(C)C ZINC000908899648 981385892 /nfs/dbraw/zinc/38/58/92/981385892.db2.gz WWAASPCMTWYXMO-UHFFFAOYSA-N -1 0 330.384 3.807 20 0 EHADRM CCC[C@](C)(CC)C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC001595542991 981405034 /nfs/dbraw/zinc/40/50/34/981405034.db2.gz ZCXVEVYAHJDTPZ-INIZCTEOSA-N -1 0 335.429 3.991 20 0 EHADRM CCC[C@](C)(NC(=O)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F)C(=O)[O-] ZINC001595545996 981406413 /nfs/dbraw/zinc/40/64/13/981406413.db2.gz BZIPNHJQEGPUHV-PPHDSNJXSA-N -1 0 341.810 3.732 20 0 EHADRM CCC[C@](C)(NC(=O)[C@@H](c1ccncc1)C1CCCCC1)C(=O)[O-] ZINC001595546100 981407782 /nfs/dbraw/zinc/40/77/82/981407782.db2.gz HMQMJORKPYBLPN-APWZRJJASA-N -1 0 332.444 3.505 20 0 EHADRM CCC[C@@](C)(NC(=O)NCc1cc(C(=O)[O-])c(C)o1)c1ccccc1 ZINC001595546606 981412706 /nfs/dbraw/zinc/41/27/06/981412706.db2.gz HFJCBGNGINDJHS-LJQANCHMSA-N -1 0 344.411 3.801 20 0 EHADRM CC1(C(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)CCCCC1 ZINC000909133437 981423626 /nfs/dbraw/zinc/42/36/26/981423626.db2.gz GARXGBXVIDOVPI-UHFFFAOYSA-N -1 0 340.423 3.721 20 0 EHADRM CCC[C@](C)(NC(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC001595552736 981424617 /nfs/dbraw/zinc/42/46/17/981424617.db2.gz CFVXITBAFHDTFI-HNNXBMFYSA-N -1 0 325.817 3.928 20 0 EHADRM CCC[C@@](C)(NC(=O)c1ccc(-c2csc(C)n2)s1)C(=O)[O-] ZINC001595552964 981425687 /nfs/dbraw/zinc/42/56/87/981425687.db2.gz CJRCHRLOVZBDIP-OAHLLOKOSA-N -1 0 338.454 3.553 20 0 EHADRM CCC[C@@](C)(NC(=O)c1ccc(Oc2ccc(C)cn2)cc1)C(=O)[O-] ZINC001595553855 981432558 /nfs/dbraw/zinc/43/25/58/981432558.db2.gz RCAWQHPZSPBGQK-LJQANCHMSA-N -1 0 342.395 3.556 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)C23CCC(CC2)C3)c1 ZINC000909229059 981438469 /nfs/dbraw/zinc/43/84/69/981438469.db2.gz GMDHZQRWLKHNCV-UHFFFAOYSA-N -1 0 333.453 3.913 20 0 EHADRM CCC[C@@H](C)[C@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001595570559 981474534 /nfs/dbraw/zinc/47/45/34/981474534.db2.gz DWHUBLHVHZNSJC-CZUORRHYSA-N -1 0 347.459 3.883 20 0 EHADRM CCC(CC)(CNC(=O)c1c[nH]cc1-c1ccc(C)s1)C(=O)[O-] ZINC000909382184 981477575 /nfs/dbraw/zinc/47/75/75/981477575.db2.gz IAIBEMXRTIEILS-UHFFFAOYSA-N -1 0 334.441 3.672 20 0 EHADRM CCC[C@H](C)CC(=O)N[C@@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001595571502 981479432 /nfs/dbraw/zinc/47/94/32/981479432.db2.gz RVAJUWLPHGLBLC-SJCJKPOMSA-N -1 0 325.836 3.668 20 0 EHADRM CCC[C@H](C)[C@@H]1CCCN1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001595573383 981487790 /nfs/dbraw/zinc/48/77/90/981487790.db2.gz RHCPFAYNWJOLKC-YOEHRIQHSA-N -1 0 332.444 3.538 20 0 EHADRM CNc1ccc(Cl)c(C(=O)NCC2(CC(=O)[O-])CCCCC2)c1 ZINC000909464847 981501644 /nfs/dbraw/zinc/50/16/44/981501644.db2.gz NKLVFDZCLXFEEI-UHFFFAOYSA-N -1 0 338.835 3.537 20 0 EHADRM CCC[C@H](C)NC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001595580459 981517834 /nfs/dbraw/zinc/51/78/34/981517834.db2.gz HMLZTWZZMIXZPG-ZDUSSCGKSA-N -1 0 333.432 3.685 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@H](C)OCc1ccc(F)cc1 ZINC000909513401 981520482 /nfs/dbraw/zinc/52/04/82/981520482.db2.gz PBFNEUYYPRLDIY-ZDUSSCGKSA-N -1 0 345.370 3.685 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C[C@H]1CCC2(CCC2)CO1 ZINC000909516480 981523091 /nfs/dbraw/zinc/52/30/91/981523091.db2.gz MTYKBEFZQRYYMU-CQSZACIVSA-N -1 0 331.412 3.680 20 0 EHADRM CCc1c(C(=O)Nc2cc(C(=O)[O-])cs2)cnn1C(CC)CC ZINC000909516270 981523105 /nfs/dbraw/zinc/52/31/05/981523105.db2.gz VFBYHHBFKWAJIW-UHFFFAOYSA-N -1 0 335.429 3.819 20 0 EHADRM CS[C@H](C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC000909520443 981527030 /nfs/dbraw/zinc/52/70/30/981527030.db2.gz QAVNMVBRIXDTIX-GUYCJALGSA-N -1 0 343.448 3.993 20 0 EHADRM CCC[C@H](CC)[S@](=O)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001595587326 981540583 /nfs/dbraw/zinc/54/05/83/981540583.db2.gz IZMYPXGFCUNKCX-NPMXOYFQSA-N -1 0 335.425 3.867 20 0 EHADRM Cc1cc(C)cc([C@@H]2CCN(C(=O)C34CCC(C(=O)[O-])(CC3)C4)C2)c1 ZINC000909560981 981543015 /nfs/dbraw/zinc/54/30/15/981543015.db2.gz UMUOKOHRTDJLMQ-YMTQGWHGSA-N -1 0 341.451 3.654 20 0 EHADRM CCC[C@@H](CC)SCc1c(C(=O)OC)sc(N)c1C(=O)[O-] ZINC001595587865 981544735 /nfs/dbraw/zinc/54/47/35/981544735.db2.gz YOWILCQRVATISF-MRVPVSSYSA-N -1 0 331.459 3.627 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2coc(C3CCCCC3)n2)c2ccccc21 ZINC000909580121 981547591 /nfs/dbraw/zinc/54/75/91/981547591.db2.gz XKBDCNTXIKIMLH-CQSZACIVSA-N -1 0 340.379 3.551 20 0 EHADRM CCC(CC)(NC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1)C(=O)[O-] ZINC000909615027 981551459 /nfs/dbraw/zinc/55/14/59/981551459.db2.gz FFTBHVYYUYDWGF-SNVBAGLBSA-N -1 0 331.334 3.726 20 0 EHADRM O=C([O-])C[C@H](NCc1nc2c(s1)CCC2)c1cccc(Cl)c1 ZINC000683173511 1014744558 /nfs/dbraw/zinc/74/45/58/1014744558.db2.gz KHZOVSHFPYRWGK-ZDUSSCGKSA-N -1 0 336.844 3.591 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@H]3CC[C@@H](c4ccc(F)cc4)C3)(CC1)C2 ZINC000909725186 981580911 /nfs/dbraw/zinc/58/09/11/981580911.db2.gz WOJDCGCBTFGELJ-IDAIIUJFSA-N -1 0 345.414 3.613 20 0 EHADRM CC[C@H](SC)C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000909785686 981620943 /nfs/dbraw/zinc/62/09/43/981620943.db2.gz DAMUVONLOMFTLU-CVEARBPZSA-N -1 0 331.437 3.613 20 0 EHADRM C[C@H](NC(=O)CC(C)(C)CC(F)F)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000909823831 981645427 /nfs/dbraw/zinc/64/54/27/981645427.db2.gz PUYPHVDIGPXAKV-JSGCOSHPSA-N -1 0 341.398 3.506 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@H]2CCC(=O)c3ccccc32)c1 ZINC000909833706 981651520 /nfs/dbraw/zinc/65/15/20/981651520.db2.gz JEMLQIPTSJMPDJ-PXAZEXFGSA-N -1 0 337.375 3.574 20 0 EHADRM CCCC1(CNC(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)CCC1 ZINC001595617543 981654520 /nfs/dbraw/zinc/65/45/20/981654520.db2.gz PWHSPMGMIMDVEC-UHFFFAOYSA-N -1 0 348.418 3.562 20 0 EHADRM Cc1ccc2c(c1)CC[C@@H](C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1)O2 ZINC000909836305 981656607 /nfs/dbraw/zinc/65/66/07/981656607.db2.gz OHJQJRGDQDMEIX-UGSOOPFHSA-N -1 0 339.391 3.515 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2CCC(=O)c3ccccc32)cc1 ZINC000909837065 981658207 /nfs/dbraw/zinc/65/82/07/981658207.db2.gz SZRKJXXJXIDXIZ-YVEFUNNKSA-N -1 0 337.375 3.574 20 0 EHADRM CCC[C@H]1C[C@@H](C(=O)Oc2ccc(C(=O)[O-])cc2Cl)CCO1 ZINC001595620967 981695322 /nfs/dbraw/zinc/69/53/22/981695322.db2.gz YSNBSFJDLZRSNG-RYUDHWBXSA-N -1 0 326.776 3.539 20 0 EHADRM CCC[C@@H]1CCc2nc(NC(=O)CC(C)(C)CC(=O)[O-])sc2C1 ZINC001595623278 981719467 /nfs/dbraw/zinc/71/94/67/981719467.db2.gz IQEOVBKBUDUXHR-LLVKDONJSA-N -1 0 338.473 3.878 20 0 EHADRM CCC[C@H]1CCc2nc(NC(=O)c3ccccc3C(=O)[O-])sc2C1 ZINC001595623504 981721815 /nfs/dbraw/zinc/72/18/15/981721815.db2.gz REBHVHOPWLQDHH-NSHDSACASA-N -1 0 344.436 3.999 20 0 EHADRM Cc1cccc([C@@H]2CCN(C(=O)C34CCC(C(=O)[O-])(CC3)CC4)C2)c1 ZINC000910013374 981735188 /nfs/dbraw/zinc/73/51/88/981735188.db2.gz HTJAASUAIRFXRP-MDMXATFFSA-N -1 0 341.451 3.736 20 0 EHADRM CC1(C)CC(C(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)(F)F)C1 ZINC000910039260 981738944 /nfs/dbraw/zinc/73/89/44/981738944.db2.gz MGTJELDHAFWONZ-UHFFFAOYSA-N -1 0 345.317 3.701 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)c1ccc(F)c3ccccc13)C2 ZINC000910071642 981752543 /nfs/dbraw/zinc/75/25/43/981752543.db2.gz NMBITMUBFGRMCB-UHFFFAOYSA-N -1 0 349.361 3.876 20 0 EHADRM CCC/C=C\C(=O)OCc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001595626611 981762401 /nfs/dbraw/zinc/76/24/01/981762401.db2.gz XAVBMHDPECJDEK-PLNGDYQASA-N -1 0 331.393 3.908 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N[C@@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC000910153324 981767575 /nfs/dbraw/zinc/76/75/75/981767575.db2.gz RYERATXLCQGEEM-QWRGUYRKSA-N -1 0 348.424 3.510 20 0 EHADRM CCCC[C@@H](C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2)C(C)C ZINC001595627397 981770984 /nfs/dbraw/zinc/77/09/84/981770984.db2.gz CNLOTKQUDVRAEK-LLVKDONJSA-N -1 0 339.457 3.920 20 0 EHADRM CCCC[C@@H](C(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1)C(C)C ZINC001595627757 981776530 /nfs/dbraw/zinc/77/65/30/981776530.db2.gz RYMIJHCOTFHSSH-OAHLLOKOSA-N -1 0 335.400 3.572 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)CCc1cc(Cl)cs1 ZINC001594783668 981796147 /nfs/dbraw/zinc/79/61/47/981796147.db2.gz YXJAYWNNTYVOGM-INIZCTEOSA-N -1 0 343.876 3.826 20 0 EHADRM Cc1cc(C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)c(C(F)(F)F)o1 ZINC000910233226 981796452 /nfs/dbraw/zinc/79/64/52/981796452.db2.gz HPZLCBDBWKVZBP-LBPRGKRZSA-N -1 0 347.333 3.618 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cccc(C(F)F)c1 ZINC001594790681 981842046 /nfs/dbraw/zinc/84/20/46/981842046.db2.gz FIJMNJSSPXOFFQ-QGZVFWFLSA-N -1 0 325.355 3.730 20 0 EHADRM CSc1ccccc1CC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000910299365 981853734 /nfs/dbraw/zinc/85/37/34/981853734.db2.gz SVEVHKBXLNKDCI-JKSUJKDBSA-N -1 0 341.432 3.778 20 0 EHADRM CCCC[C@H](CC)CC(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-] ZINC001595632720 981860209 /nfs/dbraw/zinc/86/02/09/981860209.db2.gz OJGCRWCOKOPVTB-LBPRGKRZSA-N -1 0 337.416 3.947 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(COC(C)C)cc1 ZINC001594792268 981860661 /nfs/dbraw/zinc/86/06/61/981860661.db2.gz NDUACEFTJYTMFQ-HXUWFJFHSA-N -1 0 347.455 3.717 20 0 EHADRM C[C@@H]1[C@H](C(F)(F)F)CCN1c1nc(C(F)(F)F)ccc1C(=O)[O-] ZINC000910308574 981864924 /nfs/dbraw/zinc/86/49/24/981864924.db2.gz MLPGLERZCLFTFR-HTRCEHHLSA-N -1 0 342.239 3.576 20 0 EHADRM CC(C)(CNc1ccnc(CSc2ccccc2)n1)CC(=O)[O-] ZINC000910333266 981875216 /nfs/dbraw/zinc/87/52/16/981875216.db2.gz PXBCIRYBFXSFPI-UHFFFAOYSA-N -1 0 331.441 3.682 20 0 EHADRM CCC(C)(C)C1CCC(CC(=O)N[C@@H](C(=O)[O-])c2ccccn2)CC1 ZINC001594796566 981878195 /nfs/dbraw/zinc/87/81/95/981878195.db2.gz FAVIHQOZWZZPHL-JTTJXQCZSA-N -1 0 346.471 3.956 20 0 EHADRM CCCC[C@H](NC(=O)/C=C/c1csc(C(F)(F)F)c1)C(=O)[O-] ZINC001595634652 981891848 /nfs/dbraw/zinc/89/18/48/981891848.db2.gz LKWZCUUMJBGTLN-PORFMDCZSA-N -1 0 335.347 3.540 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)CC2CC(OC(C)(C)C)C2)c1 ZINC000910368188 981899087 /nfs/dbraw/zinc/89/90/87/981899087.db2.gz CTOGAKXYURKJCA-BDVYOWHSSA-N -1 0 347.455 3.611 20 0 EHADRM CCCC[C@H](NC(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)C(=O)[O-] ZINC001595636581 981920015 /nfs/dbraw/zinc/92/00/15/981920015.db2.gz DMXBGWKYSVWJPY-NSHDSACASA-N -1 0 343.210 3.848 20 0 EHADRM CCC(C)(C)C1CCC2(C[C@H]2C(=O)Nc2c[nH]nc2C(=O)[O-])CC1 ZINC001594808931 981923570 /nfs/dbraw/zinc/92/35/70/981923570.db2.gz RSESVUUUWMXYHX-LASWEOPPSA-N -1 0 333.432 3.679 20 0 EHADRM CCCC[C@@H](NC(=O)c1cc2cccc(Cl)c2nc1C)C(=O)[O-] ZINC001595636868 981923785 /nfs/dbraw/zinc/92/37/85/981923785.db2.gz XICAQTUGSDWSKL-CQSZACIVSA-N -1 0 334.803 3.570 20 0 EHADRM CCC(C)(C)c1ccc(CNC(=O)Nc2cccc(C(=O)[O-])n2)cc1 ZINC001594814011 981935296 /nfs/dbraw/zinc/93/52/96/981935296.db2.gz CJIJWKPZFAWQML-UHFFFAOYSA-N -1 0 341.411 3.789 20 0 EHADRM CCC(C)(C)OCc1ccccc1NC(=O)c1csc(C(=O)[O-])n1 ZINC001594814255 981937121 /nfs/dbraw/zinc/93/71/21/981937121.db2.gz KQOKMJAJHHWEOW-UHFFFAOYSA-N -1 0 348.424 3.799 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)[C@@H]2CCCc3ccccc32)c2ccccc21 ZINC000910475613 981951371 /nfs/dbraw/zinc/95/13/71/981951371.db2.gz LAEBNCYESKRDRV-QRVBRYPASA-N -1 0 335.403 3.536 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CCC[C@@H](C)c1cccc(OC)c1 ZINC001594819018 981962630 /nfs/dbraw/zinc/96/26/30/981962630.db2.gz MAEPDNJCDMBBBW-KUHUBIRLSA-N -1 0 335.444 3.729 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-] ZINC000910503502 981969035 /nfs/dbraw/zinc/96/90/35/981969035.db2.gz DFOKHASWKQQHQQ-PWNZVWSESA-N -1 0 333.453 3.560 20 0 EHADRM CCCC[C@H](OC(=O)c1ccc(Oc2ccccc2)nc1)C(=O)[O-] ZINC001595646201 981997698 /nfs/dbraw/zinc/99/76/98/981997698.db2.gz ZSDYGIGDJVSVGA-HNNXBMFYSA-N -1 0 329.352 3.674 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1CCCc2sccc21 ZINC000910623169 982031033 /nfs/dbraw/zinc/03/10/33/982031033.db2.gz AQQNXHPZOIQHRL-ZDUSSCGKSA-N -1 0 345.420 3.904 20 0 EHADRM CCCCN(C(=O)c1ccoc1CC(=O)[O-])[C@@H](C)c1ccc(C)o1 ZINC000910623763 982032035 /nfs/dbraw/zinc/03/20/35/982032035.db2.gz KUJUOEDNHLYZHH-ZDUSSCGKSA-N -1 0 333.384 3.812 20 0 EHADRM CCCC[C@H](SCC(=O)N(Cc1ccccc1)C1CC1)C(=O)[O-] ZINC001595655125 982042324 /nfs/dbraw/zinc/04/23/24/982042324.db2.gz HKLBLAOSIWACCM-INIZCTEOSA-N -1 0 335.469 3.554 20 0 EHADRM CCCCn1ncc(NC(=O)c2ccc(/C=C\C(=O)[O-])o2)c1C(C)C ZINC000910656259 982043654 /nfs/dbraw/zinc/04/36/54/982043654.db2.gz KCQIKESMDBXLSN-CLFYSBASSA-N -1 0 345.399 3.750 20 0 EHADRM CCCCn1ncc(NC(=O)c2cccc(CC(=O)[O-])c2)c1C(C)C ZINC000910655599 982043952 /nfs/dbraw/zinc/04/39/52/982043952.db2.gz FNSWHHASXTZEOP-UHFFFAOYSA-N -1 0 343.427 3.686 20 0 EHADRM CCc1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cnn1C(CC)CC ZINC000910656669 982044980 /nfs/dbraw/zinc/04/49/80/982044980.db2.gz OTGWEHLIYMFGQW-KGLIPLIRSA-N -1 0 335.448 3.636 20 0 EHADRM CCCCC1(NS(=O)(=O)c2cc3ccccc3cc2C(=O)[O-])CC1 ZINC001595657721 982065541 /nfs/dbraw/zinc/06/55/41/982065541.db2.gz ZTCRTORRPKWHPB-UHFFFAOYSA-N -1 0 347.436 3.539 20 0 EHADRM CSc1ccc(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)cc1 ZINC000910696151 982066733 /nfs/dbraw/zinc/06/67/33/982066733.db2.gz CNYVGJVFSTYQKE-UHFFFAOYSA-N -1 0 336.438 3.939 20 0 EHADRM CC[C@](C)(NC(=O)c1ccc(Oc2ccccc2)cc1C)C(=O)[O-] ZINC001594846778 982070380 /nfs/dbraw/zinc/07/03/80/982070380.db2.gz RZWLBGWVUJTWFD-IBGZPJMESA-N -1 0 327.380 3.770 20 0 EHADRM C/C(=C/c1ccco1)C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910718027 982079895 /nfs/dbraw/zinc/07/98/95/982079895.db2.gz GGISUPRPOHIFQC-ASCRHOAZSA-N -1 0 346.408 3.510 20 0 EHADRM C/C(=C\C(C)(C)C)C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910723786 982087262 /nfs/dbraw/zinc/08/72/62/982087262.db2.gz OYCMEORFFZFXMF-VMPCVLLUSA-N -1 0 336.457 3.806 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)c2cc(C)cc(F)c2)nc1C(=O)[O-] ZINC000910733492 982095685 /nfs/dbraw/zinc/09/56/85/982095685.db2.gz UILMGGHUPXCOCF-CYBMUJFWSA-N -1 0 348.399 3.575 20 0 EHADRM O=C([O-])c1nc(NC(=O)[C@@H]2CCCC[C@@H]2C2CC2)sc1C1CC1 ZINC000910740833 982102563 /nfs/dbraw/zinc/10/25/63/982102563.db2.gz BXFIYGNJRIRKBN-VXGBXAGGSA-N -1 0 334.441 3.874 20 0 EHADRM O=C([O-])c1nc(NC(=O)[C@@H]2Cc3ccc(Cl)cc32)sc1C1CC1 ZINC000910741067 982102927 /nfs/dbraw/zinc/10/29/27/982102927.db2.gz DVRAKAYCMPJHRE-LLVKDONJSA-N -1 0 348.811 3.651 20 0 EHADRM O=C([O-])CC1CC(NC(=O)c2ccc(-c3ccc(F)cc3)cc2F)C1 ZINC000910812358 982133081 /nfs/dbraw/zinc/13/30/81/982133081.db2.gz LPHAECFIUYNIAK-UHFFFAOYSA-N -1 0 345.345 3.615 20 0 EHADRM CCCCC[C@@H](NC(=O)Cc1csc2sc(C)cc12)C(=O)[O-] ZINC001595672979 982139458 /nfs/dbraw/zinc/13/94/58/982139458.db2.gz TUIXORKERFXGTH-CYBMUJFWSA-N -1 0 339.482 3.963 20 0 EHADRM CCCCC[C@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C)c1ccccc1 ZINC001595673279 982140762 /nfs/dbraw/zinc/14/07/62/982140762.db2.gz VBMRIBVRYVMJOU-PVAVHDDUSA-N -1 0 332.444 3.813 20 0 EHADRM CC[C@@](C)(OC)C(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C1CC1 ZINC001594861148 982144427 /nfs/dbraw/zinc/14/44/27/982144427.db2.gz ADEPNWMNKAYNQE-LJQANCHMSA-N -1 0 345.395 3.703 20 0 EHADRM CCCCC[C@@H](NC(=O)c1cc(Cl)cc2ccc(C)nc21)C(=O)[O-] ZINC001595675933 982145018 /nfs/dbraw/zinc/14/50/18/982145018.db2.gz DYPAKSFUYJNQFY-OAHLLOKOSA-N -1 0 348.830 3.960 20 0 EHADRM CCCCC[C@H](NC(=O)c1ccc(Oc2ccccc2)cn1)C(=O)[O-] ZINC001595680663 982156573 /nfs/dbraw/zinc/15/65/73/982156573.db2.gz FWLZWVANNRNSOB-KRWDZBQOSA-N -1 0 342.395 3.637 20 0 EHADRM Cc1cc(F)ccc1[C@@H](C)NC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000910987360 982184116 /nfs/dbraw/zinc/18/41/16/982184116.db2.gz LJUCKMZUPGWAKP-XYJCDUHRSA-N -1 0 333.403 3.737 20 0 EHADRM CC(C)c1ccc(C(=O)N2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)cc1 ZINC000911034192 982199568 /nfs/dbraw/zinc/19/95/68/982199568.db2.gz JVAOQFZSTLIWNT-CQSZACIVSA-N -1 0 344.436 3.594 20 0 EHADRM CCCCCC[C@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001595694712 982213085 /nfs/dbraw/zinc/21/30/85/982213085.db2.gz HBGWETTXBUIQIN-KSSFIOAISA-N -1 0 344.455 3.886 20 0 EHADRM O=C([O-])c1cccc(CC(=O)Nc2ccc(N3CCCCC3)cc2)c1 ZINC000911087917 982230650 /nfs/dbraw/zinc/23/06/50/982230650.db2.gz VLFHNUWSXSFSFV-UHFFFAOYSA-N -1 0 338.407 3.556 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)Nc2ccccc2N2CCCCC2)o1 ZINC000911091261 982231746 /nfs/dbraw/zinc/23/17/46/982231746.db2.gz DWZNTRQUMSLFDN-LUAWRHEFSA-N -1 0 340.379 3.620 20 0 EHADRM CCCCCC[C@@H](C)NC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001595698795 982254321 /nfs/dbraw/zinc/25/43/21/982254321.db2.gz VCWVQKJWZUXQLO-GHMZBOCLSA-N -1 0 327.450 3.560 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)CC(C)(C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001594884404 982262956 /nfs/dbraw/zinc/26/29/56/982262956.db2.gz SMOUXPFQDRGHEH-LRDDRELGSA-N -1 0 339.863 3.914 20 0 EHADRM CCCCCNC(=O)CSc1cc2ccccc2cc1C(=O)[O-] ZINC001595717203 982329170 /nfs/dbraw/zinc/32/91/70/982329170.db2.gz WYOFVOJCVKAKNM-UHFFFAOYSA-N -1 0 331.437 3.937 20 0 EHADRM CCCCCOc1cc(C)ccc1CNc1ncc(C(=O)[O-])cn1 ZINC001595720490 982332029 /nfs/dbraw/zinc/33/20/29/982332029.db2.gz DFUQBQNTYQVGMP-UHFFFAOYSA-N -1 0 329.400 3.664 20 0 EHADRM CCCCN(C)c1ccc(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)cc1 ZINC001595740248 982393587 /nfs/dbraw/zinc/39/35/87/982393587.db2.gz AXGHFXDASSWJDN-INIZCTEOSA-N -1 0 334.460 3.542 20 0 EHADRM CCCCN(C)c1ccc(C(=O)NCc2ccc(C(=O)[O-])s2)cc1 ZINC001595740728 982398411 /nfs/dbraw/zinc/39/84/11/982398411.db2.gz XMWKLXCXIUPBQP-UHFFFAOYSA-N -1 0 346.452 3.613 20 0 EHADRM C[C@H](NC(=O)CCCCC(=O)[O-])[C@@H](C)c1ccccc1C(F)(F)F ZINC000911508362 982463725 /nfs/dbraw/zinc/46/37/25/982463725.db2.gz IYHVPSSOEHQLAT-NEPJUHHUSA-N -1 0 345.361 3.959 20 0 EHADRM CC[C@@H](C)[C@@H](Nc1ccc(Oc2ccc(Cl)nn2)cc1)C(=O)[O-] ZINC001594922269 982476296 /nfs/dbraw/zinc/47/62/96/982476296.db2.gz YPFMWZQBRQZGNO-MEBBXXQBSA-N -1 0 335.791 3.834 20 0 EHADRM CCCCO[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC001595765264 982489409 /nfs/dbraw/zinc/48/94/09/982489409.db2.gz JQHIXEPOFLUECJ-SECBINFHSA-N -1 0 333.306 3.547 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1cc(C(=O)[O-])ccc1Cl)c1cccnc1 ZINC000911570594 982509634 /nfs/dbraw/zinc/50/96/34/982509634.db2.gz XPAAGEYXXGSTJY-OAHLLOKOSA-N -1 0 346.814 3.603 20 0 EHADRM COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)CCCCC(=O)[O-] ZINC000911575030 982512833 /nfs/dbraw/zinc/51/28/33/982512833.db2.gz XOXHTJNXQNZOKG-GDBMZVCRSA-N -1 0 333.428 3.640 20 0 EHADRM CC[C@@H](C)[C@H](SCC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC001594930434 982552258 /nfs/dbraw/zinc/55/22/58/982552258.db2.gz WVYTYPMNVNRKOC-OCCSQVGLSA-N -1 0 345.505 3.866 20 0 EHADRM CCCCOc1ccccc1CNCc1ccc(C(=O)[O-])cc1F ZINC001595780759 982552919 /nfs/dbraw/zinc/55/29/19/982552919.db2.gz GLIXGZLXFDTORW-UHFFFAOYSA-N -1 0 331.387 3.993 20 0 EHADRM CCCCOc1ncccc1CN[C@H](C(=O)[O-])c1ccccc1Cl ZINC001595780848 982555078 /nfs/dbraw/zinc/55/50/78/982555078.db2.gz HRTYYSIINWOGBS-INIZCTEOSA-N -1 0 348.830 3.829 20 0 EHADRM CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001594931850 982571925 /nfs/dbraw/zinc/57/19/25/982571925.db2.gz XLUWBXOXLZIGCT-DYVFJYSZSA-N -1 0 342.439 3.836 20 0 EHADRM CC[C@H](C)CC(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001594935238 982585892 /nfs/dbraw/zinc/58/58/92/982585892.db2.gz VLORXHZEJNCJFY-LBPRGKRZSA-N -1 0 328.368 3.947 20 0 EHADRM CCCCS[C@H](C)C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC001595789328 982588309 /nfs/dbraw/zinc/58/83/09/982588309.db2.gz VNAUBGJYQLZJAW-SECBINFHSA-N -1 0 344.502 3.999 20 0 EHADRM CCCCSc1ccc(Cl)cc1C(=O)N[C@H](C)/C=C\C(=O)[O-] ZINC001595791856 982591033 /nfs/dbraw/zinc/59/10/33/982591033.db2.gz HPIDMWBUVWEEBY-UIJKISKDSA-N -1 0 341.860 3.991 20 0 EHADRM CCCCSc1nnc(SCc2ccc(C(=O)[O-])cn2)s1 ZINC001595792508 982593568 /nfs/dbraw/zinc/59/35/68/982593568.db2.gz TZHLEWBOWDEFKY-UHFFFAOYSA-N -1 0 341.483 3.816 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)[C@@H](C)CSCc1ccccc1)C(=O)[O-] ZINC001594936538 982594926 /nfs/dbraw/zinc/59/49/26/982594926.db2.gz LKVLYLCDMAYFMY-OFQRWUPVSA-N -1 0 337.485 3.562 20 0 EHADRM CC(C)[C@@H]1CCCN1c1ccc(NC(=O)CCCC(=O)[O-])cc1F ZINC000911668902 982595508 /nfs/dbraw/zinc/59/55/08/982595508.db2.gz PLSBNZOJVZVHBZ-HNNXBMFYSA-N -1 0 336.407 3.644 20 0 EHADRM CCCCc1ccc(C(=O)Oc2c(OC)cccc2C(=O)[O-])cc1 ZINC001595794051 982598033 /nfs/dbraw/zinc/59/80/33/982598033.db2.gz XJOVTBAIRCMXMQ-UHFFFAOYSA-N -1 0 328.364 3.955 20 0 EHADRM CCCCc1ccc(NC(=O)NC(C)(C)c2cc(C(=O)[O-])on2)cc1 ZINC001595796083 982599592 /nfs/dbraw/zinc/59/95/92/982599592.db2.gz FERCLAZANLWESX-UHFFFAOYSA-N -1 0 345.399 3.772 20 0 EHADRM CCCCc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC001595796577 982602718 /nfs/dbraw/zinc/60/27/18/982602718.db2.gz OYUPANQOHJWDIB-UHFFFAOYSA-N -1 0 347.436 3.553 20 0 EHADRM Cc1cc(C(=O)N2CC3(CCC3)c3c2cccc3F)oc1C(=O)[O-] ZINC000911696748 982603242 /nfs/dbraw/zinc/60/32/42/982603242.db2.gz QFAGFSHIGXVYNJ-UHFFFAOYSA-N -1 0 329.327 3.507 20 0 EHADRM CC(C)Oc1c(NC(=O)CC2CCSCC2)cccc1C(=O)[O-] ZINC000911738062 982620022 /nfs/dbraw/zinc/62/00/22/982620022.db2.gz NSVYHPUDKXXIRI-UHFFFAOYSA-N -1 0 337.441 3.644 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)c1cc2ccnc(Cl)c2s1)C(=O)[O-] ZINC001594944854 982629022 /nfs/dbraw/zinc/62/90/22/982629022.db2.gz JRXICVNSMCEABU-SCZZXKLOSA-N -1 0 340.832 3.569 20 0 EHADRM CCCCn1ncc(C(=O)Nc2ccc(C(=O)[O-])cc2C)c1CC ZINC001595807163 982633202 /nfs/dbraw/zinc/63/32/02/982633202.db2.gz DQZYVVSDMBYXCL-UHFFFAOYSA-N -1 0 329.400 3.505 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)c1ccc(OC(F)F)c(Cl)c1)C(=O)[O-] ZINC001594946951 982644935 /nfs/dbraw/zinc/64/49/35/982644935.db2.gz UWXSKIBRDHTOCI-KWQFWETISA-N -1 0 349.761 3.561 20 0 EHADRM CCCN(C(=O)/C=C\c1cc(C(=O)[O-])co1)c1ccc(CC)cc1 ZINC001595817646 982682031 /nfs/dbraw/zinc/68/20/31/982682031.db2.gz WIKUBVVVHFVKCN-KTKRTIGZSA-N -1 0 327.380 3.997 20 0 EHADRM CC[C@H](C)C[C@@H](Nc1ccnc(Cc2ccc(F)cc2)n1)C(=O)[O-] ZINC001594954131 982684639 /nfs/dbraw/zinc/68/46/39/982684639.db2.gz ZJFIEHKOUYDXRH-SWLSCSKDSA-N -1 0 331.391 3.508 20 0 EHADRM CCCN(C(=O)NCC(C)(C)CC(=O)[O-])[C@@H]1CCc2ccccc21 ZINC001595820684 982687352 /nfs/dbraw/zinc/68/73/52/982687352.db2.gz ICLWJHLFFGCUTF-MRXNPFEDSA-N -1 0 332.444 3.596 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@]1(c2ccccc2)CCCO1 ZINC000923075996 982708485 /nfs/dbraw/zinc/70/84/85/982708485.db2.gz NBTONUKJLLPYLM-HXUWFJFHSA-N -1 0 339.391 3.646 20 0 EHADRM CCCN(C(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1)[C@H](C)C(=O)[O-] ZINC001595827615 982713547 /nfs/dbraw/zinc/71/35/47/982713547.db2.gz UUFBZTRLSISMAK-SECBINFHSA-N -1 0 342.317 3.512 20 0 EHADRM CCCN(C(=O)c1oc(C(=O)[O-])cc1C)[C@@H]1CCc2ccccc2C1 ZINC001595831393 982722515 /nfs/dbraw/zinc/72/25/15/982722515.db2.gz KARVGTNFRMJOMG-MRXNPFEDSA-N -1 0 341.407 3.696 20 0 EHADRM CC[C@H](C)N(C)C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001594966902 982724473 /nfs/dbraw/zinc/72/44/73/982724473.db2.gz HNBBDEWXBODMGM-ZDUSSCGKSA-N -1 0 333.432 3.637 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])Cc1nnc(-c2cccc3ccccc32)o1 ZINC001594981887 982775324 /nfs/dbraw/zinc/77/53/24/982775324.db2.gz MHEATQAZHADZNF-CYBMUJFWSA-N -1 0 339.395 3.575 20 0 EHADRM CC[C@@H](C)N1C(=O)N[C@H](c2cc(C)c(OC)c(C)c2)C(C(=O)[O-])=C1C ZINC001594985207 982797583 /nfs/dbraw/zinc/79/75/83/982797583.db2.gz JSXIZBFDIUGZSV-MLGOLLRUSA-N -1 0 346.427 3.535 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)N(C)Cc2ccccc2)cc1 ZINC000108065917 1014882219 /nfs/dbraw/zinc/88/22/19/1014882219.db2.gz PFNNGQHGNKGLFC-HSZRJFAPSA-N -1 0 329.465 3.576 20 0 EHADRM CCCN(CC)c1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2C)cn1 ZINC001595868741 982842925 /nfs/dbraw/zinc/84/29/25/982842925.db2.gz CSJHBJFJBOOLAB-UHFFFAOYSA-N -1 0 341.411 3.577 20 0 EHADRM CC(C)[C@H]1C[C@H](CC(=O)NC2(CCC(=O)[O-])CCCCC2)CCO1 ZINC000923217723 982848786 /nfs/dbraw/zinc/84/87/86/982848786.db2.gz HUBLEAYLITUZGF-HZPDHXFCSA-N -1 0 339.476 3.512 20 0 EHADRM CCCN(CC1CCCCC1)C(=O)Nc1cnc(C)c(C(=O)[O-])c1 ZINC001595870594 982854954 /nfs/dbraw/zinc/85/49/54/982854954.db2.gz QLUWHZXYIYXXRQ-UHFFFAOYSA-N -1 0 333.432 3.912 20 0 EHADRM CC[C@H](C)Oc1cc(C(=O)Nc2cccc(C(=O)[O-])c2Cl)ccn1 ZINC001594996008 982899103 /nfs/dbraw/zinc/89/91/03/982899103.db2.gz DCZOADWGSNFORJ-JTQLQIEISA-N -1 0 348.786 3.863 20 0 EHADRM CC[C@@H](C)Oc1ccc(-c2noc(-c3ccc(C(=O)[O-])[nH]3)n2)cc1 ZINC001594999980 982911229 /nfs/dbraw/zinc/91/12/29/982911229.db2.gz QXZWTEJQWQQLJS-SNVBAGLBSA-N -1 0 327.340 3.607 20 0 EHADRM CCCN(Cc1ncc(C(=O)[O-])s1)[C@@H](C)c1ccccc1OC ZINC001595891528 982927668 /nfs/dbraw/zinc/92/76/68/982927668.db2.gz WGZWMQRRFBOHNF-LBPRGKRZSA-N -1 0 334.441 3.823 20 0 EHADRM Cc1cc(C(=O)N(CCC(=O)[O-])Cc2ccccc2)c(C)n1C1CC1 ZINC001118913843 982967004 /nfs/dbraw/zinc/96/70/04/982967004.db2.gz MIZOIMNVAVCROI-UHFFFAOYSA-N -1 0 340.423 3.557 20 0 EHADRM CCCOc1ccc(-c2noc([C@H]3CCC[C@@H](C(=O)[O-])C3)n2)cc1 ZINC001595953037 983132677 /nfs/dbraw/zinc/13/26/77/983132677.db2.gz ZQKRPLNQAFPCBH-UONOGXRCSA-N -1 0 330.384 3.884 20 0 EHADRM CCCOc1ccc(-c2noc([C@H]3CCC[C@H](C(=O)[O-])C3)n2)cc1 ZINC001595953032 983132789 /nfs/dbraw/zinc/13/27/89/983132789.db2.gz ZQKRPLNQAFPCBH-KBPBESRZSA-N -1 0 330.384 3.884 20 0 EHADRM CCCOc1ccc(COC(=O)c2ccc(C(=O)[O-])cc2F)c(C)c1 ZINC001595960509 983152321 /nfs/dbraw/zinc/15/23/21/983152321.db2.gz HEHUNDMDCFLQDJ-UHFFFAOYSA-N -1 0 346.354 3.978 20 0 EHADRM CCCOc1cccc(CC(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])c1 ZINC001595967470 983181052 /nfs/dbraw/zinc/18/10/52/983181052.db2.gz XNQJJKZLCKMHIX-UHFFFAOYSA-N -1 0 349.471 3.613 20 0 EHADRM CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001595968913 983186553 /nfs/dbraw/zinc/18/65/53/983186553.db2.gz IAKLEZIXKPFCGK-ZMSDIMECSA-N -1 0 347.455 3.790 20 0 EHADRM CCCOc1cccc(CC(=O)OCc2ccsc2C(=O)[O-])c1 ZINC001595969275 983190144 /nfs/dbraw/zinc/19/01/44/983190144.db2.gz QDPANBHJZSRGKD-UHFFFAOYSA-N -1 0 334.393 3.521 20 0 EHADRM CCCc1cc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])ccc1Cl ZINC001596055324 983358167 /nfs/dbraw/zinc/35/81/67/983358167.db2.gz PEFQZEIJKDIOQK-CQSZACIVSA-N -1 0 325.836 3.769 20 0 EHADRM CCCc1cc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)ccc1Cl ZINC001596055389 983358365 /nfs/dbraw/zinc/35/83/65/983358365.db2.gz QKIHWOUXQZJTFG-INIZCTEOSA-N -1 0 331.799 3.848 20 0 EHADRM CCCc1ccc(-c2nc(NC(=O)[C@H]3C[C@H]3C(=O)[O-])sc2C)cc1 ZINC001596059084 983367743 /nfs/dbraw/zinc/36/77/43/983367743.db2.gz XHBKDPGULGQMEI-UONOGXRCSA-N -1 0 344.436 3.730 20 0 EHADRM CCCc1nc(C)c(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)s1 ZINC001596082490 983400937 /nfs/dbraw/zinc/40/09/37/983400937.db2.gz YTJVCCRWXJCQLV-UHFFFAOYSA-N -1 0 340.351 3.633 20 0 EHADRM CCCn1c(C(=O)N(C)C2(C(=O)[O-])CCCC2)cc2ccccc21 ZINC001596108205 983433344 /nfs/dbraw/zinc/43/33/44/983433344.db2.gz SGGNRVGYJRSKAH-UHFFFAOYSA-N -1 0 328.412 3.521 20 0 EHADRM CCCn1ncc(NC(=O)Nc2cc(C(=O)[O-])ccc2F)c1C1CC1 ZINC001596120765 983456443 /nfs/dbraw/zinc/45/64/43/983456443.db2.gz YCSYUJGYRMOJIN-UHFFFAOYSA-N -1 0 346.362 3.652 20 0 EHADRM CCN(C(=O)CC[C@@H](O)c1ccc(C(C)(C)C)cc1)C(C)(C)C(=O)[O-] ZINC001596134184 983483103 /nfs/dbraw/zinc/48/31/03/983483103.db2.gz VQVNUAXAPYTHOS-MRXNPFEDSA-N -1 0 349.471 3.509 20 0 EHADRM CCN(C(=O)CCCSC(C)(C)C)c1ncc(C(=O)[O-])s1 ZINC001596137413 983486185 /nfs/dbraw/zinc/48/61/85/983486185.db2.gz KKIPRTCUVXBKQM-UHFFFAOYSA-N -1 0 330.475 3.506 20 0 EHADRM Cc1cccc2c1CCN2C(=O)c1ccc(Br)cc1[O-] ZINC000126864118 1014951049 /nfs/dbraw/zinc/95/10/49/1014951049.db2.gz SIRMOQGXYORDDI-UHFFFAOYSA-N -1 0 332.197 3.666 20 0 EHADRM CCN(C(=O)c1ccsc1C(F)F)c1ncc(C(=O)[O-])s1 ZINC001596170839 983536436 /nfs/dbraw/zinc/53/64/36/983536436.db2.gz NSCHHNGVPZQBNS-UHFFFAOYSA-N -1 0 332.353 3.507 20 0 EHADRM CC(C)(CO)[C@@H](CNC(=O)c1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000154084220 1014975243 /nfs/dbraw/zinc/97/52/43/1014975243.db2.gz BZJSDCQFRGRQFL-HNNXBMFYSA-N -1 0 347.842 3.578 20 0 EHADRM CCN(Cc1ccc(C)cc1)C(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001596359423 983833782 /nfs/dbraw/zinc/83/37/82/983833782.db2.gz IDQMRPRBMJDNOR-UHFFFAOYSA-N -1 0 342.395 3.756 20 0 EHADRM CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1ccc(/C=C/C(=O)[O-])o1 ZINC001596395009 983931679 /nfs/dbraw/zinc/93/16/79/983931679.db2.gz QZDDGMVKSDTCRA-CDVVCGDMSA-N -1 0 346.770 3.617 20 0 EHADRM CCOC(=O)[C@@H]1CC[C@@H](Nc2ccc3c(C(=O)[O-])c[nH]c3c2)C[C@H]1C ZINC001596569259 984458335 /nfs/dbraw/zinc/45/83/35/984458335.db2.gz AKTNJKLVAPOFAC-YRGRVCCFSA-N -1 0 344.411 3.646 20 0 EHADRM CCOC(=O)C1CCC(Sc2ncc(C(=O)[O-])cc2Cl)CC1 ZINC001596570854 984465387 /nfs/dbraw/zinc/46/53/87/984465387.db2.gz VLJVZTPMVVMETG-UHFFFAOYSA-N -1 0 343.832 3.647 20 0 EHADRM C=Cc1ccc(C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)cc1 ZINC001588919314 984570969 /nfs/dbraw/zinc/57/09/69/984570969.db2.gz HJNIQLGUXTVPQC-UHFFFAOYSA-N -1 0 339.391 3.503 20 0 EHADRM C/C(=C\C(=O)N(c1ncc(C(=O)[O-])s1)C1CC1)c1cccs1 ZINC001588932447 984608124 /nfs/dbraw/zinc/60/81/24/984608124.db2.gz DJLNBEGHPKUQRR-VQHVLOKHSA-N -1 0 334.422 3.502 20 0 EHADRM C/C(=C\C(=O)N1CCCc2ccc(C(=O)[O-])cc21)c1cccc(F)c1 ZINC001588937913 984620265 /nfs/dbraw/zinc/62/02/65/984620265.db2.gz YIBAVQLWBZOQSX-JLHYYAGUSA-N -1 0 339.366 3.907 20 0 EHADRM C/C(=C/C(=O)N1CCc2cccc(C(=O)[O-])c2C1)c1cccc(F)c1 ZINC001588938986 984626334 /nfs/dbraw/zinc/62/63/34/984626334.db2.gz JHADFGWORJSTRC-RAXLEYEMSA-N -1 0 339.366 3.512 20 0 EHADRM C/C(=C/C(=O)NCC1(C(=O)[O-])CCCCC1)c1cccc(Cl)c1 ZINC001588939157 984627383 /nfs/dbraw/zinc/62/73/83/984627383.db2.gz SFBKFRQVNBJPPA-RAXLEYEMSA-N -1 0 335.831 3.895 20 0 EHADRM C/C(=C\C(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1)c1ccc(F)cc1 ZINC001588939196 984627988 /nfs/dbraw/zinc/62/79/88/984627988.db2.gz LVRGKLHEPMKSGF-ZGKFYVQTSA-N -1 0 345.345 3.619 20 0 EHADRM C/C(=C\C(=O)NC[C@H](C(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC001588939324 984628643 /nfs/dbraw/zinc/62/86/43/984628643.db2.gz VDPGUCIJGDWHQD-RTGRKSDTSA-N -1 0 343.810 3.728 20 0 EHADRM C/C(=C/C(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1)c1ccc(F)cc1 ZINC001588939800 984631429 /nfs/dbraw/zinc/63/14/29/984631429.db2.gz SUPGVEPSUNNBME-RNUYOQPASA-N -1 0 341.382 3.788 20 0 EHADRM C[C@H](CC1CCCCC1)NC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001599891214 984696917 /nfs/dbraw/zinc/69/69/17/984696917.db2.gz LSXXCZVOGKGORW-LLVKDONJSA-N -1 0 344.415 3.742 20 0 EHADRM C[C@H](NC(=O)NCCCCCCC(=O)[O-])c1ccc2c(c1)CCCC2 ZINC001599893797 984727797 /nfs/dbraw/zinc/72/77/97/984727797.db2.gz FFEHMJTUJLNNQL-HNNXBMFYSA-N -1 0 346.471 3.961 20 0 EHADRM C[C@H](NC(=O)Nc1cccc(C(=O)[O-])n1)c1ccc2c(c1)CCCC2 ZINC001599895257 984744756 /nfs/dbraw/zinc/74/47/56/984744756.db2.gz YXOYULUIXRHNHI-LBPRGKRZSA-N -1 0 339.395 3.541 20 0 EHADRM C[C@H](NCc1nc(C(=O)[O-])cs1)c1ccc(Cl)c(Cl)c1 ZINC001599901409 984836638 /nfs/dbraw/zinc/83/66/38/984836638.db2.gz HMWKNPGNTXVXEA-ZETCQYMHSA-N -1 0 331.224 3.999 20 0 EHADRM C/C(=C\c1c(Cl)cccc1Cl)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC001588995937 984930039 /nfs/dbraw/zinc/93/00/39/984930039.db2.gz XCRQEMRSPCLQQM-OJLMFNQTSA-N -1 0 342.222 3.718 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)OCc1cc(C(=O)[O-])ccc1C ZINC001588998403 984934885 /nfs/dbraw/zinc/93/48/85/984934885.db2.gz KMUYMCOOKAIIHE-LCYFTJDESA-N -1 0 328.339 3.979 20 0 EHADRM C/C(=C/c1cccc(Cl)c1)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC001589003249 984951318 /nfs/dbraw/zinc/95/13/18/984951318.db2.gz WUHCJYYNYYYKGU-HTZIURCHSA-N -1 0 347.842 3.988 20 0 EHADRM C/C(=C\c1cccc(Cl)c1)C(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC001589003353 984952233 /nfs/dbraw/zinc/95/22/33/984952233.db2.gz YHQBOVDYCIBSCO-JXMROGBWSA-N -1 0 331.755 3.786 20 0 EHADRM C/C(=C/c1cccc(Cl)c1)C(=O)N(CC(=O)[O-])c1ccccc1 ZINC001589003416 984952389 /nfs/dbraw/zinc/95/23/89/984952389.db2.gz ZUEOADGTEDCVIH-RAXLEYEMSA-N -1 0 329.783 3.861 20 0 EHADRM C/C(=C/c1ccccc1Cl)C(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC001589003771 984957081 /nfs/dbraw/zinc/95/70/81/984957081.db2.gz LGSDNTFEBNTVHX-JNSOCZORSA-N -1 0 335.831 3.893 20 0 EHADRM C/C(=C/c1ccccc1Cl)C(=O)OCc1cccc(C(=O)[O-])n1 ZINC001589004111 984961197 /nfs/dbraw/zinc/96/11/97/984961197.db2.gz XPNCHWODVDDHHI-LUAWRHEFSA-N -1 0 331.755 3.580 20 0 EHADRM C/C(=C/c1ccccc1C(F)(F)F)COC(=O)[C@@H](C)CC(=O)[O-] ZINC001589004171 984961936 /nfs/dbraw/zinc/96/19/36/984961936.db2.gz ZIGJOKFIWLPLPK-BRNRAETOSA-N -1 0 330.302 3.763 20 0 EHADRM C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)C[C@]1(C)C(=O)[O-] ZINC001599913787 985024657 /nfs/dbraw/zinc/02/46/57/985024657.db2.gz IVXRVZWTPIPWMS-JBYCIGCPSA-N -1 0 337.419 3.513 20 0 EHADRM CC(=O)CC(C)(C)CC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001589030827 985065309 /nfs/dbraw/zinc/06/53/09/985065309.db2.gz YIRCDUSVMDGCEI-UHFFFAOYSA-N -1 0 337.441 3.587 20 0 EHADRM CCOC(=O)c1ncc(CSCc2cc(C(=O)[O-])cs2)s1 ZINC001596754194 985112034 /nfs/dbraw/zinc/11/20/34/985112034.db2.gz ICYUTJXBNFGOOT-UHFFFAOYSA-N -1 0 343.451 3.513 20 0 EHADRM CCO[C@H](C)c1ncc(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)s1 ZINC001596775254 985206440 /nfs/dbraw/zinc/20/64/40/985206440.db2.gz BONPFUFRCBZPTQ-GHMZBOCLSA-N -1 0 348.424 3.681 20 0 EHADRM C[Si](C)(C)c1ccc(CCNc2ncc(C(=O)[O-])cc2Cl)cc1 ZINC001599939432 985436333 /nfs/dbraw/zinc/43/63/33/985436333.db2.gz KPOORNJQXGDDOR-UHFFFAOYSA-N -1 0 348.906 3.633 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)N2C[C@H](C)c3ccccc32)c(C)c1C(=O)[O-] ZINC001599942436 985471370 /nfs/dbraw/zinc/47/13/70/985471370.db2.gz JZUMKGJFMNSVTA-GWCFXTLKSA-N -1 0 326.396 3.525 20 0 EHADRM Cc1[nH]c(C(=O)[C@@H](C)N2C[C@@H](C)c3ccccc32)c(C)c1C(=O)[O-] ZINC001599942439 985471611 /nfs/dbraw/zinc/47/16/11/985471611.db2.gz JZUMKGJFMNSVTA-ZWNOBZJWSA-N -1 0 326.396 3.525 20 0 EHADRM Cc1[nH]c(C(=O)CN(Cc2cccc(F)c2)C(C)C)c(C)c1C(=O)[O-] ZINC001599945905 985526574 /nfs/dbraw/zinc/52/65/74/985526574.db2.gz ZOMLLXKPCBMJGV-UHFFFAOYSA-N -1 0 346.402 3.562 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)SCCOc2ccccc2)c(C)c1C(=O)[O-] ZINC001599949272 985580686 /nfs/dbraw/zinc/58/06/86/985580686.db2.gz XNDJAALRFNQXDF-ZDUSSCGKSA-N -1 0 347.436 3.713 20 0 EHADRM C[C@H]1CN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)CC2(CCCC2)O1 ZINC001594498946 985661483 /nfs/dbraw/zinc/66/14/83/985661483.db2.gz AYPTVJYZRSHPGZ-XHDPSFHLSA-N -1 0 341.810 3.638 20 0 EHADRM CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC001589204750 985662989 /nfs/dbraw/zinc/66/29/89/985662989.db2.gz CEXCDVBISHPNKJ-APPDUMDISA-N -1 0 346.814 3.775 20 0 EHADRM CC(C)c1[nH]c(CN2C[C@H](C)CN(C)c3ccccc32)cc1C(=O)[O-] ZINC001594505001 985704083 /nfs/dbraw/zinc/70/40/83/985704083.db2.gz DEBFWUXLXMECSC-CQSZACIVSA-N -1 0 341.455 3.929 20 0 EHADRM CC(=O)c1c(C)cc(C)c(COC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c1C ZINC001589253945 985882566 /nfs/dbraw/zinc/88/25/66/985882566.db2.gz DJGRWMPJEYTXIG-WKILWMFISA-N -1 0 346.423 3.749 20 0 EHADRM Cc1[nH]c2ccc(OCC(=O)Nc3ccccc3C(=O)[O-])cc2c1C ZINC001599966095 985909251 /nfs/dbraw/zinc/90/92/51/985909251.db2.gz GQBAIUZDTBXNEE-UHFFFAOYSA-N -1 0 338.363 3.500 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])[nH]c1NC(=O)c1cc2ccc(F)cc2s1 ZINC001589260799 985911675 /nfs/dbraw/zinc/91/16/75/985911675.db2.gz IELGNBRIJJDVQK-UHFFFAOYSA-N -1 0 346.339 3.522 20 0 EHADRM Cc1c(NC(=O)Nc2ccc(C(=O)[O-])s2)n[nH]c1-c1ccccc1 ZINC001599969801 985985459 /nfs/dbraw/zinc/98/54/59/985985459.db2.gz TWQKFUYNPMGWTG-UHFFFAOYSA-N -1 0 342.380 3.789 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)[O-])c(F)c1 ZINC001589277128 985992694 /nfs/dbraw/zinc/99/26/94/985992694.db2.gz CZCRMTZBNMBMRT-UHFFFAOYSA-N -1 0 349.745 3.941 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)cc1C ZINC001589277413 985995369 /nfs/dbraw/zinc/99/53/69/985995369.db2.gz QJYWIUHDOPLWEK-UHFFFAOYSA-N -1 0 349.745 3.941 20 0 EHADRM CC(=O)c1ccc(Cl)c(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC001589284312 986021608 /nfs/dbraw/zinc/02/16/08/986021608.db2.gz XSNPLKNNMJQOBK-UHFFFAOYSA-N -1 0 349.814 3.906 20 0 EHADRM Cc1c2cccc(Cl)c2[nH]c1C(=O)N(CCC(=O)[O-])CC(C)C ZINC001599974272 986062728 /nfs/dbraw/zinc/06/27/28/986062728.db2.gz MATHLTBCQYKWRV-UHFFFAOYSA-N -1 0 336.819 3.703 20 0 EHADRM CC(=O)c1cccc(C(=O)Nc2c(C)c(C(=O)[O-])ccc2Cl)c1 ZINC001589305237 986068785 /nfs/dbraw/zinc/06/87/85/986068785.db2.gz JACVUXQDOOSVOV-UHFFFAOYSA-N -1 0 331.755 3.802 20 0 EHADRM CC(=O)c1ccc2c(c1)CN([C@@H](C(=O)[O-])c1ccc(Cl)cc1)C2 ZINC001589306176 986072251 /nfs/dbraw/zinc/07/22/51/986072251.db2.gz RMCPUMBBFMEUOI-QGZVFWFLSA-N -1 0 329.783 3.684 20 0 EHADRM CC(=O)c1cccc(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)c1 ZINC001589306540 986073775 /nfs/dbraw/zinc/07/37/75/986073775.db2.gz WYDKGZDYNNRNOH-UHFFFAOYSA-N -1 0 333.343 3.993 20 0 EHADRM Cc1c(C(=O)N(C2CC2)C2(C(=O)[O-])CCC2)sc2cccc(F)c12 ZINC001599975525 986083717 /nfs/dbraw/zinc/08/37/17/986083717.db2.gz BKIXXNMNJAQKFM-UHFFFAOYSA-N -1 0 347.411 3.961 20 0 EHADRM CC(=O)c1ccccc1OCCSCc1cc(C(=O)[O-])c(C)o1 ZINC001589315645 986108747 /nfs/dbraw/zinc/10/87/47/986108747.db2.gz DFZQIYYTJPSSMC-UHFFFAOYSA-N -1 0 334.393 3.801 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001599978543 986128984 /nfs/dbraw/zinc/12/89/84/986128984.db2.gz IUHOTNVZFVAGAU-VOJFVSQTSA-N -1 0 347.411 3.676 20 0 EHADRM CC(=O)c1csc(C(=O)N(c2ccccc2C(=O)[O-])C2CCC2)c1 ZINC001589322500 986133161 /nfs/dbraw/zinc/13/31/61/986133161.db2.gz DTNKXBSUZJIPGH-UHFFFAOYSA-N -1 0 343.404 3.848 20 0 EHADRM Cc1c(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cnn1CCC(C)C ZINC001599982840 986187667 /nfs/dbraw/zinc/18/76/67/986187667.db2.gz GIOCKWNRKOGSQM-UHFFFAOYSA-N -1 0 349.818 3.842 20 0 EHADRM C[C@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001589340179 986248329 /nfs/dbraw/zinc/24/83/29/986248329.db2.gz YODZHURYEXMKFV-LBPRGKRZSA-N -1 0 331.799 3.800 20 0 EHADRM CCOc1c(F)cccc1C(=O)Nc1ccc(CC)cc1C(=O)[O-] ZINC001596991083 986266097 /nfs/dbraw/zinc/26/60/97/986266097.db2.gz AWYGFIHUDBOHHA-UHFFFAOYSA-N -1 0 331.343 3.737 20 0 EHADRM CCOc1cc(-c2ccccc2)sc1C(=O)N[C@H](C)/C=C/C(=O)[O-] ZINC001596991532 986269887 /nfs/dbraw/zinc/26/98/87/986269887.db2.gz MYWBQHOHHNBBEM-BZYZDCJZSA-N -1 0 345.420 3.573 20 0 EHADRM CCOc1cc(Br)c(F)cc1N[C@H](C)[C@H]1C[C@@H]1C(=O)[O-] ZINC001596993782 986289760 /nfs/dbraw/zinc/28/97/60/986289760.db2.gz YNWHNOVWANQLAC-HLTSFMKQSA-N -1 0 346.196 3.508 20 0 EHADRM C[C@@H]1CN(c2cc(C(F)(F)F)c(C(=O)[O-])cn2)[C@H]2CCCC[C@H]12 ZINC001594561640 986320655 /nfs/dbraw/zinc/32/06/55/986320655.db2.gz LSSYZLUAVQEAJL-BREBYQMCSA-N -1 0 328.334 3.814 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@H](CC)CC(F)(F)F ZINC001597008990 986338850 /nfs/dbraw/zinc/33/88/50/986338850.db2.gz IBRWPVFOLPMYDR-SECBINFHSA-N -1 0 333.306 3.701 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)Cc1cccc(CC)c1 ZINC001597015830 986371916 /nfs/dbraw/zinc/37/19/16/986371916.db2.gz IULOZEQQDQCARS-UHFFFAOYSA-N -1 0 327.380 3.527 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NCC1CCC2(CC2)CC1 ZINC001597021959 986416786 /nfs/dbraw/zinc/41/67/86/986416786.db2.gz NYTZDIUTEXLAOG-UHFFFAOYSA-N -1 0 346.427 3.875 20 0 EHADRM C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001589385662 986478616 /nfs/dbraw/zinc/47/86/16/986478616.db2.gz LBAZIFKSMNQRJJ-ZBEGNZNMSA-N -1 0 349.789 3.915 20 0 EHADRM C[C@@H](C(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1)c1ccccn1 ZINC001589386175 986484395 /nfs/dbraw/zinc/48/43/95/986484395.db2.gz UFXQVELNYQBHIY-GDBMZVCRSA-N -1 0 332.444 3.505 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC001597038480 986485989 /nfs/dbraw/zinc/48/59/89/986485989.db2.gz OWJAVNTUFPZZSS-SUMWQHHRSA-N -1 0 339.819 3.502 20 0 EHADRM CCOc1cc(NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)ccc1C ZINC001597042638 986494959 /nfs/dbraw/zinc/49/49/59/986494959.db2.gz XATXPUQISJTVID-CQSZACIVSA-N -1 0 334.416 3.502 20 0 EHADRM C[C@@H](C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21)C1CCCC1 ZINC001589407578 986599864 /nfs/dbraw/zinc/59/98/64/986599864.db2.gz VMBMTMNYEUAZGW-CXAGYDPISA-N -1 0 329.440 3.747 20 0 EHADRM CCOc1ccc(C(F)(F)F)cc1NCc1c[nH]c(C(=O)[O-])c1 ZINC001597074987 986604294 /nfs/dbraw/zinc/60/42/94/986604294.db2.gz XNLLYORLGHVSDE-UHFFFAOYSA-N -1 0 328.290 3.743 20 0 EHADRM CCOc1ccc(C[C@H](C)C(=O)Nc2cc(C)c(C(=O)[O-])s2)cc1 ZINC001597085168 986648640 /nfs/dbraw/zinc/64/86/40/986648640.db2.gz PRONDPZNJLBYFR-LBPRGKRZSA-N -1 0 347.436 3.971 20 0 EHADRM C[C@H](C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21)C(F)(F)F ZINC001589422316 986663350 /nfs/dbraw/zinc/66/33/50/986663350.db2.gz ILCYEGDABMOLPH-QMTHXVAHSA-N -1 0 339.313 3.670 20 0 EHADRM C[C@H](C(=O)Nc1cc(Br)cc(C(=O)[O-])c1Cl)C1CC1 ZINC001589429606 986710528 /nfs/dbraw/zinc/71/05/28/986710528.db2.gz NUKNKHHZVNBFMH-LURJTMIESA-N -1 0 346.608 3.785 20 0 EHADRM C[C@H](C(=O)Nc1cc(-c2ccncc2)sc1C(=O)[O-])C(F)(F)F ZINC001589430117 986713986 /nfs/dbraw/zinc/71/39/86/986713986.db2.gz READBERVWGVAMT-SSDOTTSWSA-N -1 0 344.314 3.645 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(C(=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC001589431660 986730251 /nfs/dbraw/zinc/73/02/51/986730251.db2.gz JEBYAHIWSFCWIV-MRVPVSSYSA-N -1 0 339.178 3.829 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000263535483 1125496932 /nfs/dbraw/zinc/49/69/32/1125496932.db2.gz YYYAZHPKYCFAJN-ZBFHGGJFSA-N -1 0 339.391 3.804 20 0 EHADRM CCOc1ccc(Cl)c(NC(=O)N[C@@](C)(CC(=O)[O-])C2CC2)c1 ZINC001597106848 986751066 /nfs/dbraw/zinc/75/10/66/986751066.db2.gz VQCCETWRGJLJSU-INIZCTEOSA-N -1 0 340.807 3.504 20 0 EHADRM CCOc1ccc(Cl)cc1CN1CCc2c(cccc2C(=O)[O-])C1 ZINC001597106821 986751603 /nfs/dbraw/zinc/75/16/03/986751603.db2.gz TWYQIPMIUYVFOM-UHFFFAOYSA-N -1 0 345.826 3.995 20 0 EHADRM CCOc1ccc(NC(=O)NCc2ccc(C(=O)[O-])cc2)cc1Cl ZINC001597120282 986810309 /nfs/dbraw/zinc/81/03/09/986810309.db2.gz GTKNWBLUVYHLFJ-UHFFFAOYSA-N -1 0 348.786 3.759 20 0 EHADRM CCOc1ccc(N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1Br ZINC001597123750 986826244 /nfs/dbraw/zinc/82/62/44/986826244.db2.gz QUMZQLLARJEYFS-ZJUUUORDSA-N -1 0 328.206 3.513 20 0 EHADRM C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001594651519 986876801 /nfs/dbraw/zinc/87/68/01/986876801.db2.gz SLQFXBRMTFRWQJ-BJOHPYRUSA-N -1 0 346.770 3.682 20 0 EHADRM CCOc1cccc(CCC(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC001597153832 986940791 /nfs/dbraw/zinc/94/07/91/986940791.db2.gz SQUXZTFEGCLLQD-LBPRGKRZSA-N -1 0 332.352 3.614 20 0 EHADRM C[C@@H]1c2ccsc2CCN1C(=O)c1ccccc1CCC(=O)[O-] ZINC001594671737 986986923 /nfs/dbraw/zinc/98/69/23/986986923.db2.gz VBQWOADRUZEFAK-GFCCVEGCSA-N -1 0 329.421 3.525 20 0 EHADRM C/C=C/C[C@H]1CCCN(C(=O)Nc2cccc(CCC(=O)[O-])c2)C1 ZINC001594686112 987061712 /nfs/dbraw/zinc/06/17/12/987061712.db2.gz NUZAWAPDMQGGJL-KZSQQDEKSA-N -1 0 330.428 3.914 20 0 EHADRM C/C=C\c1ccc(OC(=O)Cc2ccccc2C(=O)[O-])c(OC)c1 ZINC001594689056 987073847 /nfs/dbraw/zinc/07/38/47/987073847.db2.gz MPNHXQCSJOAUGY-UTCJRWHESA-N -1 0 326.348 3.575 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)CCC(=O)c2cccs2)cc1 ZINC001589505239 987118638 /nfs/dbraw/zinc/11/86/38/987118638.db2.gz RQORFYFZHZBDGX-LLVKDONJSA-N -1 0 331.393 3.538 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NCc2cc3ccccc3[nH]2)cc1 ZINC001589511850 987143795 /nfs/dbraw/zinc/14/37/95/987143795.db2.gz JUURKQSBMAWGMN-LBPRGKRZSA-N -1 0 337.379 3.678 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NCC(C)(C)[C@H]2CCCCO2)cc1 ZINC001589512541 987151005 /nfs/dbraw/zinc/15/10/05/987151005.db2.gz LJAYOWWQNBQFHX-CZUORRHYSA-N -1 0 348.443 3.592 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@H]2Cc3ccccc3S2)c1 ZINC001589521554 987167287 /nfs/dbraw/zinc/16/72/87/987167287.db2.gz ATZQJMGULPUIBG-BDJLRTHQSA-N -1 0 327.405 3.530 20 0 EHADRM CCC(=O)c1cc(OC)c(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC001594717299 987193838 /nfs/dbraw/zinc/19/38/38/987193838.db2.gz BKPMYXZEBOGUKB-UHFFFAOYSA-N -1 0 344.363 3.574 20 0 EHADRM CCC(=O)c1cc(C(=O)N(CC)c2ccccc2C(=O)[O-])ccc1F ZINC001594718035 987197278 /nfs/dbraw/zinc/19/72/78/987197278.db2.gz NQFJTSCVQLIACE-UHFFFAOYSA-N -1 0 343.354 3.783 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cnnc(-c3ccccc3)c2)c1 ZINC001589532789 987218038 /nfs/dbraw/zinc/21/80/38/987218038.db2.gz VXZQDRKSAKXTOD-CYBMUJFWSA-N -1 0 347.374 3.584 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)Nc2cc(C3CC3)ccn2)c1 ZINC001589533401 987226663 /nfs/dbraw/zinc/22/66/63/987226663.db2.gz OALRCOXGRDQWFS-NSHDSACASA-N -1 0 325.368 3.791 20 0 EHADRM CCS[C@@H](C(=O)Nc1cc(C(=O)[O-])cc2cccnc21)C(C)C ZINC001597251759 987244369 /nfs/dbraw/zinc/24/43/69/987244369.db2.gz VPTORXVLLOIXNA-OAHLLOKOSA-N -1 0 332.425 3.649 20 0 EHADRM C[C@H](C(=O)O[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-])c1ccsc1 ZINC001589541151 987253206 /nfs/dbraw/zinc/25/32/06/987253206.db2.gz ZVJGZJSDDKYUSG-HZMBPMFUSA-N -1 0 338.812 3.744 20 0 EHADRM CC[C@@H](C(=O)NC1(CCC(=O)[O-])CCCCC1)c1ccc(OC)cc1 ZINC001594733554 987254577 /nfs/dbraw/zinc/25/45/77/987254577.db2.gz CSGOLMAAGMBSCF-QGZVFWFLSA-N -1 0 347.455 3.873 20 0 EHADRM CC[C@H](C(=O)NC[C@H](CC1CCCC1)C(=O)[O-])c1ccc(F)cc1 ZINC001594733932 987256393 /nfs/dbraw/zinc/25/63/93/987256393.db2.gz IGCPKJLPWXVEKV-RDJZCZTQSA-N -1 0 335.419 3.717 20 0 EHADRM CCS[C@H]1CC[C@H](N(C)c2cc(C(F)(F)F)c(C(=O)[O-])cn2)C1 ZINC001597256858 987260182 /nfs/dbraw/zinc/26/01/82/987260182.db2.gz PDNJOXKNJPLIJQ-UWVGGRQHSA-N -1 0 348.390 3.909 20 0 EHADRM CCSCC[C@@H](C)N(C)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC001597259241 987279284 /nfs/dbraw/zinc/27/92/84/987279284.db2.gz LRIHNHBFOXZVKL-SNVBAGLBSA-N -1 0 328.409 3.519 20 0 EHADRM CCSCc1cccc(NC(=O)NCc2cc(C(=O)[O-])c(C)o2)c1 ZINC001597264916 987293302 /nfs/dbraw/zinc/29/33/02/987293302.db2.gz DAEIHAFXZRTENZ-UHFFFAOYSA-N -1 0 348.424 3.861 20 0 EHADRM CCSCc1ccccc1C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC001597265420 987296608 /nfs/dbraw/zinc/29/66/08/987296608.db2.gz URAISEAIVAXULX-JQFCIGGWSA-N -1 0 347.480 3.798 20 0 EHADRM CCSCc1ccccc1C(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC001597267777 987304993 /nfs/dbraw/zinc/30/49/93/987304993.db2.gz PEXJEFFSJYNWFV-KRWDZBQOSA-N -1 0 349.496 3.951 20 0 EHADRM CCSc1cccc(F)c1NC(=O)N1CCC(CC(=O)[O-])CC1 ZINC001597277024 987331881 /nfs/dbraw/zinc/33/18/81/987331881.db2.gz CDHOBEUZTPARSU-UHFFFAOYSA-N -1 0 340.420 3.656 20 0 EHADRM CCSc1cccc(CNC(=O)Nc2cc(C(=O)[O-])ccc2F)c1 ZINC001597277441 987335051 /nfs/dbraw/zinc/33/50/51/987335051.db2.gz PYHXBFLIXDXJIG-UHFFFAOYSA-N -1 0 348.399 3.958 20 0 EHADRM CCSc1nnc(S[C@H](C(=O)[O-])c2cccc(OC)c2)s1 ZINC001597279425 987342104 /nfs/dbraw/zinc/34/21/04/987342104.db2.gz HLRBQUOWZWWHLD-JTQLQIEISA-N -1 0 342.467 3.577 20 0 EHADRM CC(C)(C(=O)NCc1ccnc(C(=O)[O-])c1)c1ccc2ccccc2c1 ZINC001589571886 987342457 /nfs/dbraw/zinc/34/24/57/987342457.db2.gz FFUWIMHADZOGNC-UHFFFAOYSA-N -1 0 348.402 3.527 20 0 EHADRM CCSc1ccccc1C(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC001597279893 987346240 /nfs/dbraw/zinc/34/62/40/987346240.db2.gz SEFMPTFGBVLKJN-UHFFFAOYSA-N -1 0 327.405 3.700 20 0 EHADRM CC(C)(C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001589580483 987360467 /nfs/dbraw/zinc/36/04/67/987360467.db2.gz RQZFYUGFDKCGQV-UHFFFAOYSA-N -1 0 340.354 3.922 20 0 EHADRM CC(C)(C(=O)Nc1cc(C(=O)[O-])cs1)c1ccc(F)cc1F ZINC001589580463 987360742 /nfs/dbraw/zinc/36/07/42/987360742.db2.gz QCORCLVEWJGWEM-UHFFFAOYSA-N -1 0 325.336 3.641 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1cc2[nH]ccc2s1)c1ccccc1 ZINC001589599634 987422822 /nfs/dbraw/zinc/42/28/22/987422822.db2.gz XYDHPEMOERCNPA-OAHLLOKOSA-N -1 0 342.420 3.811 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1sc2cccc(F)c2c1Cl)C(=O)[O-] ZINC001597321985 987450908 /nfs/dbraw/zinc/45/09/08/987450908.db2.gz SMZWFBQRRDGZQD-MADCSZMMSA-N -1 0 343.807 3.923 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(c2cc(Cl)c3ncccc3n2)C1 ZINC001589617414 987493326 /nfs/dbraw/zinc/49/33/26/987493326.db2.gz VYEIWKOWZKUCCP-LLVKDONJSA-N -1 0 333.819 3.610 20 0 EHADRM CC[C@H](OC(=O)CCc1ocnc1C(=O)[O-])c1cccc(Cl)c1 ZINC001597355871 987503387 /nfs/dbraw/zinc/50/33/87/987503387.db2.gz LWZSSAAUWSNLMF-LBPRGKRZSA-N -1 0 337.759 3.653 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(NC(=O)c2cccc3ccsc32)n1 ZINC001589657242 987629722 /nfs/dbraw/zinc/62/97/22/987629722.db2.gz VRRHEOPRPXMNIG-UHFFFAOYSA-N -1 0 346.433 3.972 20 0 EHADRM CCc1[nH]c(CNc2cccc3c2OC(C)(C)CC3)cc1C(=O)[O-] ZINC001597398559 987651660 /nfs/dbraw/zinc/65/16/60/987651660.db2.gz NIQCHZXGBQQGFM-UHFFFAOYSA-N -1 0 328.412 3.991 20 0 EHADRM CC(C)(C)C(=O)CCCC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001589685630 987727119 /nfs/dbraw/zinc/72/71/19/987727119.db2.gz BBHGZLCIHMQFKV-UHFFFAOYSA-N -1 0 333.428 3.773 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)OCc1cccc(C)c1 ZINC001597449817 987835569 /nfs/dbraw/zinc/83/55/69/987835569.db2.gz LKUWQOWBXQYMEU-AWEZNQCLSA-N -1 0 341.407 3.799 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@H](CC)c1nc(C)cs1 ZINC001597456834 987866614 /nfs/dbraw/zinc/86/66/14/987866614.db2.gz MGJWKHCGJBEGNQ-CYBMUJFWSA-N -1 0 347.440 3.985 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NC1(c2cccc(F)c2)CC1 ZINC001597457552 987874447 /nfs/dbraw/zinc/87/44/47/987874447.db2.gz WDBSHOPSZUSSOU-UHFFFAOYSA-N -1 0 342.370 3.897 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cc(Cl)ccc1OC ZINC001597464966 987900301 /nfs/dbraw/zinc/90/03/01/987900301.db2.gz NJBBJGVZUOKULO-UHFFFAOYSA-N -1 0 333.771 3.862 20 0 EHADRM CCc1cc(C)cc(CC)c1NC(=O)N[C@](C)(CC(=O)[O-])C1CC1 ZINC001597471399 987932800 /nfs/dbraw/zinc/93/28/00/987932800.db2.gz HXWHMHGNVASRBO-LJQANCHMSA-N -1 0 332.444 3.885 20 0 EHADRM CCc1cc(C)cc(CC)c1NC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001597471561 987935914 /nfs/dbraw/zinc/93/59/14/987935914.db2.gz UBAYDJIJYAFKHZ-CZUORRHYSA-N -1 0 332.444 3.694 20 0 EHADRM CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)N1CCC(CC(=O)[O-])CC1 ZINC001589729127 987941067 /nfs/dbraw/zinc/94/10/67/987941067.db2.gz SWGJPYYAOMGOKV-JKSUJKDBSA-N -1 0 338.492 3.735 20 0 EHADRM CS[C@H]1CCC[C@@H](NC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC001599789291 987979412 /nfs/dbraw/zinc/97/94/12/987979412.db2.gz RLCRYYAKUJVAHX-FXUDXRNXSA-N -1 0 348.468 3.670 20 0 EHADRM CSC[C@H](C)NC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001599792337 988031446 /nfs/dbraw/zinc/03/14/46/988031446.db2.gz ISIAZBMZUCELAL-LBPRGKRZSA-N -1 0 329.421 3.533 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)CSc1ccc2ccccc2c1)C(=O)[O-] ZINC001589745365 988036351 /nfs/dbraw/zinc/03/63/51/988036351.db2.gz HEELGDWRAMMUPC-MRXNPFEDSA-N -1 0 345.464 3.938 20 0 EHADRM CCc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)c(O)c1 ZINC001597500246 988055036 /nfs/dbraw/zinc/05/50/36/988055036.db2.gz HRSDYMFCDVIAQG-LJQANCHMSA-N -1 0 349.386 3.664 20 0 EHADRM CCc1ccc(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])cc1CC ZINC001597500806 988058987 /nfs/dbraw/zinc/05/89/87/988058987.db2.gz WSVNLVAQQHHBAN-GOSISDBHSA-N -1 0 331.456 3.965 20 0 EHADRM CCc1ccc(C(=O)NC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)cc1 ZINC001597501131 988065044 /nfs/dbraw/zinc/06/50/44/988065044.db2.gz UBVIFPRSDKWAIH-SFHVURJKSA-N -1 0 337.419 3.797 20 0 EHADRM CCc1ccc(C(=O)Oc2ccc3c(c2)c(C(=O)[O-])c(C)n3C)cc1 ZINC001597508127 988083597 /nfs/dbraw/zinc/08/35/97/988083597.db2.gz CCWAEJDJTLDLHO-UHFFFAOYSA-N -1 0 337.375 3.967 20 0 EHADRM CCc1nc(NC(=O)C(C)(C)c2ccc(CC)cc2)sc1C(=O)[O-] ZINC001597509055 988089321 /nfs/dbraw/zinc/08/93/21/988089321.db2.gz WDNFTONBSZKDTF-UHFFFAOYSA-N -1 0 346.452 3.882 20 0 EHADRM CSCC[C@@H](OC(=O)c1ccc2c(c1)oc1ccccc12)C(=O)[O-] ZINC001599797636 988123676 /nfs/dbraw/zinc/12/36/76/988123676.db2.gz DAXHDKLNQRYNKW-OAHLLOKOSA-N -1 0 344.388 3.949 20 0 EHADRM CCc1ccc([C@@H](NC(=O)[C@H](CC)C(=O)[O-])c2cccc(F)c2)cc1 ZINC001597514953 988124952 /nfs/dbraw/zinc/12/49/52/988124952.db2.gz ZKMGZKNUOCVGLO-ZWKOTPCHSA-N -1 0 343.398 3.705 20 0 EHADRM CCc1ccc([C@H](NC(=O)NCc2cc(C(=O)[O-])co2)C(C)C)cc1 ZINC001597514930 988125070 /nfs/dbraw/zinc/12/50/70/988125070.db2.gz ZCFAHLGTMXJLSY-QGZVFWFLSA-N -1 0 344.411 3.737 20 0 EHADRM CCc1ccc(C2CCN([C@@H](C)c3nc(C(=O)[O-])co3)CC2)cc1 ZINC001597517391 988133059 /nfs/dbraw/zinc/13/30/59/988133059.db2.gz LOONMEWYJDMEEQ-ZDUSSCGKSA-N -1 0 328.412 3.876 20 0 EHADRM CCc1ccc([C@@H]2CCN(C(=O)c3ccc(C(=O)[O-])s3)C2)cc1 ZINC001597517693 988134364 /nfs/dbraw/zinc/13/43/64/988134364.db2.gz OACISJZDJASKIU-CQSZACIVSA-N -1 0 329.421 3.638 20 0 EHADRM CCc1ccc([C@H]2CCN(C(=O)c3cc(C)cc(C(=O)[O-])c3)C2)cc1 ZINC001597518558 988138375 /nfs/dbraw/zinc/13/83/75/988138375.db2.gz WANYNMNOKQOWCX-KRWDZBQOSA-N -1 0 337.419 3.885 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001599801977 988192207 /nfs/dbraw/zinc/19/22/07/988192207.db2.gz NYSUIHPYXCLAGN-UHFFFAOYSA-N -1 0 342.376 3.641 20 0 EHADRM CSCc1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2C)cc1 ZINC001599802057 988193503 /nfs/dbraw/zinc/19/35/03/988193503.db2.gz BAAPATBCTPLLQA-UHFFFAOYSA-N -1 0 333.384 3.948 20 0 EHADRM CSCc1ccc(-c2noc([C@H]3CC[C@@H](CCC(=O)[O-])O3)n2)cc1 ZINC001599802505 988199846 /nfs/dbraw/zinc/19/98/46/988199846.db2.gz OCSUJOXYSVMKIO-UONOGXRCSA-N -1 0 348.424 3.685 20 0 EHADRM CS[C@H]1C[C@H](NC(=O)Nc2ccc(C(=O)[O-])c3ccccc23)C1 ZINC001599803537 988217526 /nfs/dbraw/zinc/21/75/26/988217526.db2.gz JOGKMAPFBJTHOG-XYPYZODXSA-N -1 0 330.409 3.554 20 0 EHADRM CCc1ccc(NC(=O)N(C)C[C@H](C)c2nccs2)c(C(=O)[O-])c1 ZINC001597544655 988244162 /nfs/dbraw/zinc/24/41/62/988244162.db2.gz ILEPGLSTTJCAJW-NSHDSACASA-N -1 0 347.440 3.671 20 0 EHADRM CCc1ccc(NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1F ZINC001597545462 988247514 /nfs/dbraw/zinc/24/75/14/988247514.db2.gz USGFMXKZYCKJED-UHFFFAOYSA-N -1 0 330.359 3.750 20 0 EHADRM CCc1ccc(NC(=O)N2CCc3cccc(C(=O)[O-])c3C2)cc1C ZINC001597547186 988257111 /nfs/dbraw/zinc/25/71/11/988257111.db2.gz GEULKRKHQMBRLY-UHFFFAOYSA-N -1 0 338.407 3.846 20 0 EHADRM CCc1ccc(NC(=O)NC[C@@](CC)(C(=O)[O-])c2ccccc2)cc1 ZINC001597547309 988258202 /nfs/dbraw/zinc/25/82/02/988258202.db2.gz XPNAOIGFTZBKFN-HXUWFJFHSA-N -1 0 340.423 3.803 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC001599806882 988269889 /nfs/dbraw/zinc/26/98/89/988269889.db2.gz FDUIHIJNLYWEDK-SNVBAGLBSA-N -1 0 328.821 3.533 20 0 EHADRM CSc1cc(C(=O)N(Cc2ccccc2)C(C)(C)C(=O)[O-])co1 ZINC001599807227 988275187 /nfs/dbraw/zinc/27/51/87/988275187.db2.gz APVOVJAYRIWCKU-UHFFFAOYSA-N -1 0 333.409 3.507 20 0 EHADRM CSc1cc(C)ccc1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001599807620 988281609 /nfs/dbraw/zinc/28/16/09/988281609.db2.gz QDQFCSFUWSZJLS-UHFFFAOYSA-N -1 0 336.457 3.826 20 0 EHADRM CCc1ccc(O)c(NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])c1 ZINC001597556885 988292196 /nfs/dbraw/zinc/29/21/96/988292196.db2.gz XZEFBGLRZXAXEV-LLVKDONJSA-N -1 0 345.420 3.772 20 0 EHADRM CCc1ccc(OCC(=O)Oc2cc(Cl)ccc2C(=O)[O-])cc1 ZINC001597558000 988300241 /nfs/dbraw/zinc/30/02/41/988300241.db2.gz WUHLPFSTJCOCAW-UHFFFAOYSA-N -1 0 334.755 3.585 20 0 EHADRM O=C([O-])CCCCNC(=O)c1cc2cc(C(F)(F)F)ccc2s1 ZINC000579860678 1015376949 /nfs/dbraw/zinc/37/69/49/1015376949.db2.gz OTRVORZSMNMJEW-UHFFFAOYSA-N -1 0 345.342 3.905 20 0 EHADRM CSc1cc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)ccc1Cl ZINC001599809944 988316987 /nfs/dbraw/zinc/31/69/87/988316987.db2.gz VQAPSOVGVZHHOU-MGCOHNPYSA-N -1 0 327.833 3.891 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccoc2Cl)cc1 ZINC001599811030 988335099 /nfs/dbraw/zinc/33/50/99/988335099.db2.gz LXSCSIDHDDIBGF-GFCCVEGCSA-N -1 0 339.800 3.601 20 0 EHADRM CSc1ccc(C)c(C(=O)N2c3cccc(C)c3C[C@@H]2C(=O)[O-])c1 ZINC001599811225 988337270 /nfs/dbraw/zinc/33/72/70/988337270.db2.gz AGXBRIAJJAMSLL-QGZVFWFLSA-N -1 0 341.432 3.681 20 0 EHADRM CCc1ccc2c(c1)CCN2[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001597569872 988339898 /nfs/dbraw/zinc/33/98/98/988339898.db2.gz ZNNUTMIIVKVYGG-ZDUSSCGKSA-N -1 0 340.423 3.526 20 0 EHADRM CCc1ccc2occ(C(=O)Nc3cc(OC)ccc3C(=O)[O-])c2c1 ZINC001597570294 988341718 /nfs/dbraw/zinc/34/17/18/988341718.db2.gz DDMJVIODNAEAQA-UHFFFAOYSA-N -1 0 339.347 3.954 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)CCCOc1ccccc1 ZINC001597573731 988358411 /nfs/dbraw/zinc/35/84/11/988358411.db2.gz VRBOLPGZSAVECY-UHFFFAOYSA-N -1 0 327.380 3.745 20 0 EHADRM CSc1ccc(CCC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1 ZINC001599812381 988359177 /nfs/dbraw/zinc/35/91/77/988359177.db2.gz CEJULZWEEHMIAI-UHFFFAOYSA-N -1 0 347.411 3.746 20 0 EHADRM CCc1cccc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])c1O ZINC001597577114 988372613 /nfs/dbraw/zinc/37/26/13/988372613.db2.gz ZYICSVKRPCIWFP-QGZVFWFLSA-N -1 0 341.407 3.537 20 0 EHADRM CSc1ccc(C)c(NC(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC001599813632 988381951 /nfs/dbraw/zinc/38/19/51/988381951.db2.gz YTVURJVVUWFBCJ-UHFFFAOYSA-N -1 0 329.421 3.986 20 0 EHADRM CCc1cccc(CC(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)c1 ZINC001597580720 988382083 /nfs/dbraw/zinc/38/20/83/988382083.db2.gz CDMCAURGMUCJHM-UHFFFAOYSA-N -1 0 349.333 3.730 20 0 EHADRM CSc1ccc(NC(=O)CCOc2ccc(F)cc2)cc1C(=O)[O-] ZINC001599815279 988411412 /nfs/dbraw/zinc/41/14/12/988411412.db2.gz CSOSYXKBQOGCER-UHFFFAOYSA-N -1 0 349.383 3.653 20 0 EHADRM CCc1cccc(CNC(=O)Nc2c(C)sc(C)c2C(=O)[O-])c1 ZINC001597587473 988412451 /nfs/dbraw/zinc/41/24/51/988412451.db2.gz YGOJBGCQECYKNW-UHFFFAOYSA-N -1 0 332.425 3.947 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1ccccc1Br ZINC001597594839 988433855 /nfs/dbraw/zinc/43/38/55/988433855.db2.gz XDXZOOCZAIRVLX-UHFFFAOYSA-N -1 0 348.196 3.962 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cnc(CC(C)C)s1 ZINC001597594793 988433942 /nfs/dbraw/zinc/43/39/42/988433942.db2.gz UTCJTFUNXAWWNA-UHFFFAOYSA-N -1 0 332.425 3.855 20 0 EHADRM CCc1cccc2c1N(C(=O)c1[nH]c3ccccc3c1CC(=O)[O-])CC2 ZINC001597603182 988460650 /nfs/dbraw/zinc/46/06/50/988460650.db2.gz KSIZVDRHJGHTAU-UHFFFAOYSA-N -1 0 348.402 3.560 20 0 EHADRM CCc1cccc2c1OCC[C@@H]2N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001597603479 988467827 /nfs/dbraw/zinc/46/78/27/988467827.db2.gz DWYUBFFAXNRQHI-GWCFXTLKSA-N -1 0 332.425 3.578 20 0 EHADRM CCc1ccccc1CC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001597609331 988494278 /nfs/dbraw/zinc/49/42/78/988494278.db2.gz MDUKXMZSHATDHD-NRFANRHFSA-N -1 0 347.414 3.887 20 0 EHADRM CCc1cccnc1C(=O)Oc1cccc2c(CC(=O)[O-])cccc12 ZINC001597621784 988553091 /nfs/dbraw/zinc/55/30/91/988553091.db2.gz FWBKIOVOYCWLCD-UHFFFAOYSA-N -1 0 335.359 3.644 20 0 EHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001597621802 988553556 /nfs/dbraw/zinc/55/35/56/988553556.db2.gz SKRBJEDDVNRAQA-LSDHHAIUSA-N -1 0 327.355 3.829 20 0 EHADRM CCc1ccsc1C(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)c2ccccc21 ZINC001597625731 988573766 /nfs/dbraw/zinc/57/37/66/988573766.db2.gz FSANMCWSBVHWQX-BUXKBTBVSA-N -1 0 343.448 3.918 20 0 EHADRM CSc1ccccc1[C@@H](C)NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001599826035 988599608 /nfs/dbraw/zinc/59/96/08/988599608.db2.gz FBVKMDIBZSKXKB-HIJJYWJESA-N -1 0 331.393 3.590 20 0 EHADRM CCc1cncc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCCC3)c1 ZINC001597635762 988615524 /nfs/dbraw/zinc/61/55/24/988615524.db2.gz ZVWOSFKBQFAQAG-UHFFFAOYSA-N -1 0 344.436 3.925 20 0 EHADRM C[C@@H](C1CCCCC1)N(C)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001599833457 988708620 /nfs/dbraw/zinc/70/86/20/988708620.db2.gz LIFIQGPXOOSXRS-ZDUSSCGKSA-N -1 0 334.416 3.583 20 0 EHADRM C[C@@H](CC1CCCCC1)NC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001599834604 988723270 /nfs/dbraw/zinc/72/32/70/988723270.db2.gz HQAQAQJDIREQCY-AWEZNQCLSA-N -1 0 344.455 3.811 20 0 EHADRM CCc1nc([C@@H]2CCCCN2Cc2cc(C(=O)[O-])c(C(C)C)[nH]2)no1 ZINC001597662937 988738551 /nfs/dbraw/zinc/73/85/51/988738551.db2.gz GTUSJYBQEHZEOD-AWEZNQCLSA-N -1 0 346.431 3.509 20 0 EHADRM CCc1nc(CN[C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)cs1 ZINC001597669784 988759851 /nfs/dbraw/zinc/75/98/51/988759851.db2.gz HOCFYSOINAUAJY-CYBMUJFWSA-N -1 0 344.358 3.797 20 0 EHADRM CCc1nc2sccc2c(NC[C@H](C(=O)[O-])C2CCCCC2)n1 ZINC001597685396 988833966 /nfs/dbraw/zinc/83/39/66/988833966.db2.gz NUPIXCMNDHTZEB-ZDUSSCGKSA-N -1 0 333.457 3.947 20 0 EHADRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cnoc1-c1ccccc1 ZINC000179525223 1015428649 /nfs/dbraw/zinc/42/86/49/1015428649.db2.gz YMIXNVXSZNGTFI-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM CCc1nnc(S[C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)o1 ZINC001597736024 989083232 /nfs/dbraw/zinc/08/32/32/989083232.db2.gz OKMUFQFNYPCMTF-SNVBAGLBSA-N -1 0 333.196 3.857 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN[C@H](Cc1ccccc1)c1ncco1 ZINC001597767306 989218768 /nfs/dbraw/zinc/21/87/68/989218768.db2.gz JEONNUOWWFAQBO-OAHLLOKOSA-N -1 0 340.379 3.602 20 0 EHADRM CCc1oc(CN(C)Cc2c(F)cccc2Cl)cc1C(=O)[O-] ZINC001597793241 989342855 /nfs/dbraw/zinc/34/28/55/989342855.db2.gz XIJVTIISGJCWOU-UHFFFAOYSA-N -1 0 325.767 3.965 20 0 EHADRM CCc1oc(CN[C@H](C)c2cc(F)ccc2N(C)C)cc1C(=O)[O-] ZINC001597800338 989392854 /nfs/dbraw/zinc/39/28/54/989392854.db2.gz ZBMPBTGCUDIPCM-LLVKDONJSA-N -1 0 334.391 3.596 20 0 EHADRM CCc1oc(CNc2cnn(CCC(C)C)c2CC)cc1C(=O)[O-] ZINC001597804938 989409846 /nfs/dbraw/zinc/40/98/46/989409846.db2.gz PCEGFAHDHYBVKL-UHFFFAOYSA-N -1 0 333.432 3.957 20 0 EHADRM CCc1oc2ccccc2c1CC(=O)N[C@H](CC(C)(C)C)C(=O)[O-] ZINC001597807951 989422570 /nfs/dbraw/zinc/42/25/70/989422570.db2.gz NUCOCVGWHKEQNR-CQSZACIVSA-N -1 0 331.412 3.543 20 0 EHADRM CCn1c(S[C@H](C(=O)[O-])c2ccccc2C)nnc1-c1ccco1 ZINC001597861576 989637393 /nfs/dbraw/zinc/63/73/93/989637393.db2.gz APXNJORXRXMXBA-AWEZNQCLSA-N -1 0 343.408 3.784 20 0 EHADRM CCn1cc(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])c(C2CC2)n1 ZINC001597880019 989700076 /nfs/dbraw/zinc/70/00/76/989700076.db2.gz PUDDDINNXSSUFT-UHFFFAOYSA-N -1 0 341.411 3.854 20 0 EHADRM CC(C)(C)OCCCC(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC001590382658 989900714 /nfs/dbraw/zinc/90/07/14/989900714.db2.gz RNFQJCCLJWPEKX-UHFFFAOYSA-N -1 0 342.461 3.673 20 0 EHADRM CCn1nc(C)c(NC(=O)Nc2c(C)sc(C)c2C(=O)[O-])c1C ZINC001597939346 989918635 /nfs/dbraw/zinc/91/86/35/989918635.db2.gz UJOHKQTYNNCWLX-UHFFFAOYSA-N -1 0 336.417 3.540 20 0 EHADRM CC(C)(C)OCc1ccccc1NC(=O)N[C@](C)(CC(=O)[O-])C1CC1 ZINC001590398670 989931218 /nfs/dbraw/zinc/93/12/18/989931218.db2.gz MPFIKLBANXXPHA-LJQANCHMSA-N -1 0 348.443 3.767 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC001590409283 989945352 /nfs/dbraw/zinc/94/53/52/989945352.db2.gz IARZKNVQJAWVFA-AWEZNQCLSA-N -1 0 334.393 3.908 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)c1 ZINC001590410058 989951483 /nfs/dbraw/zinc/95/14/83/989951483.db2.gz WHNIHQFOFCAWNB-UHFFFAOYSA-N -1 0 339.391 3.765 20 0 EHADRM CC(C)(C)Oc1ccccc1NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001590422018 989966464 /nfs/dbraw/zinc/96/64/64/989966464.db2.gz AOWWKFKSTWEEAR-PKNBQFBNSA-N -1 0 329.352 3.807 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)CSC(F)F)cc1 ZINC001590480282 990062796 /nfs/dbraw/zinc/06/27/96/990062796.db2.gz NSQUNFBEKCZVMJ-LBPRGKRZSA-N -1 0 345.411 3.572 20 0 EHADRM CC(C)(C)c1ccc(C2(C(=O)Nc3cc(C(=O)[O-])ccn3)CC2)cc1 ZINC001590480736 990068657 /nfs/dbraw/zinc/06/86/57/990068657.db2.gz ZINSPEOTOQRCTH-UHFFFAOYSA-N -1 0 338.407 3.748 20 0 EHADRM CC(C)(C)c1ccc(C[C@]2(C)CCCN2C(=O)[C@H]2C[C@H]2C(=O)[O-])cc1 ZINC001590484897 990079869 /nfs/dbraw/zinc/07/98/69/990079869.db2.gz IJLPOPCJYXJNRG-FVJLSDCUSA-N -1 0 343.467 3.628 20 0 EHADRM CC(C)(C)c1cccc(C(=O)N2C[C@@H](C(=O)[O-])Cc3ccccc32)c1 ZINC001590499057 990111076 /nfs/dbraw/zinc/11/10/76/990111076.db2.gz PDGHBGUZISVLRJ-INIZCTEOSA-N -1 0 337.419 3.888 20 0 EHADRM CN(C(=O)[C@@H]1CC1(C)C)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001597997827 990116178 /nfs/dbraw/zinc/11/61/78/990116178.db2.gz SDTFZMGLVKHDNE-JOYOIKCWSA-N -1 0 330.211 3.624 20 0 EHADRM CC(C)(C)c1ccccc1C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001590505181 990119456 /nfs/dbraw/zinc/11/94/56/990119456.db2.gz DJLDDLMDOPMNFF-QGZVFWFLSA-N -1 0 343.398 3.549 20 0 EHADRM CC(C)(C)c1ccccc1C(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001590506479 990123130 /nfs/dbraw/zinc/12/31/30/990123130.db2.gz ZVDWXBPAFMPDJI-UHFFFAOYSA-N -1 0 329.371 3.751 20 0 EHADRM CC(C)(C)c1ccncc1CNC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001590515369 990125348 /nfs/dbraw/zinc/12/53/48/990125348.db2.gz HSHBXEGLVXGCQF-UHFFFAOYSA-N -1 0 345.374 3.538 20 0 EHADRM CC(C)(C)c1csc(C(=Cc2cccc3[nH]c(=O)oc32)C(=O)[O-])n1 ZINC001590526605 990137069 /nfs/dbraw/zinc/13/70/69/990137069.db2.gz FKZXVZATSWOFLH-JXMROGBWSA-N -1 0 344.392 3.913 20 0 EHADRM CN(C(=O)CC1CC(C)(C)C1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598007662 990167809 /nfs/dbraw/zinc/16/78/09/990167809.db2.gz LMCFERMGYIIZIC-OAHLLOKOSA-N -1 0 343.345 3.514 20 0 EHADRM CC(C)(CC(=O)N1CCCC[C@@H]1C(=O)[O-])Cc1ccc(Cl)cc1 ZINC001590616875 990294682 /nfs/dbraw/zinc/29/46/82/990294682.db2.gz SBTDUXBZRBYLFO-OAHLLOKOSA-N -1 0 337.847 3.765 20 0 EHADRM CC(C)(CC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1)C1CCCCC1 ZINC001590621905 990304182 /nfs/dbraw/zinc/30/41/82/990304182.db2.gz RURLIANKYWHUEL-UHFFFAOYSA-N -1 0 335.448 3.638 20 0 EHADRM CN(C(=O)Nc1ccc(OCC(=O)[O-])cc1)C1CCCCCCC1 ZINC001598059761 990325894 /nfs/dbraw/zinc/32/58/94/990325894.db2.gz ATHUWIZKRQDYIA-UHFFFAOYSA-N -1 0 334.416 3.727 20 0 EHADRM CN(C(=O)c1cc(C(=O)[O-])ccc1Cl)c1cccc2ncccc21 ZINC001598079467 990394696 /nfs/dbraw/zinc/39/46/96/990394696.db2.gz SINFCGUFXLOYIB-UHFFFAOYSA-N -1 0 340.766 3.863 20 0 EHADRM CN(C(=O)c1ccc(SC2CC2)cc1)[C@H](C(=O)[O-])c1ccccc1 ZINC001598088499 990427853 /nfs/dbraw/zinc/42/78/53/990427853.db2.gz WWXAPMYEWCTWAQ-KRWDZBQOSA-N -1 0 341.432 3.839 20 0 EHADRM CN(C(=O)c1cccc(CC(=O)[O-])c1)C1CCC(C(C)(C)C)CC1 ZINC001598088966 990429468 /nfs/dbraw/zinc/42/94/68/990429468.db2.gz KQFWEQMWZOOCRN-UHFFFAOYSA-N -1 0 331.456 3.991 20 0 EHADRM CC(C)(CNC(=O)CC1(CC(=O)[O-])CCCC1)Cc1ccccc1 ZINC001590707983 990456988 /nfs/dbraw/zinc/45/69/88/990456988.db2.gz MOYXWRDJFUAQTH-UHFFFAOYSA-N -1 0 331.456 3.797 20 0 EHADRM CC(C)(CNC(=O)CC1CCC(c2ccccc2)CC1)CC(=O)[O-] ZINC001590708749 990462602 /nfs/dbraw/zinc/46/26/02/990462602.db2.gz ZWVYZJQSMWLHRW-UHFFFAOYSA-N -1 0 331.456 3.968 20 0 EHADRM CC(C)(CNC(=O)Cc1cc(Cl)cc2ccccc21)CC(=O)[O-] ZINC001590713412 990467348 /nfs/dbraw/zinc/46/73/48/990467348.db2.gz BYNZNKPGEICAIP-UHFFFAOYSA-N -1 0 333.815 3.653 20 0 EHADRM CC(C)(CNC(=O)NCC1(CC(=O)[O-])CCCC1)C1CCCCC1 ZINC001590722609 990497570 /nfs/dbraw/zinc/49/75/70/990497570.db2.gz QBRPLGXJKWLWTC-UHFFFAOYSA-N -1 0 338.492 3.927 20 0 EHADRM CC(C)(C)OCc1ccc(NC(=O)NCC(C)(C)CC(=O)[O-])cc1 ZINC001590734191 990526443 /nfs/dbraw/zinc/52/64/43/990526443.db2.gz CUCBITQHTGNRBM-UHFFFAOYSA-N -1 0 336.432 3.624 20 0 EHADRM CC(C)(CNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC001590743353 990541429 /nfs/dbraw/zinc/54/14/29/990541429.db2.gz LKCLIKAXFAFYAR-LSDHHAIUSA-N -1 0 337.847 3.625 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)c1sc(C(C)(C)C)nc1C ZINC000073837694 1015573052 /nfs/dbraw/zinc/57/30/52/1015573052.db2.gz MIUJFUYHYRUBIB-UHFFFAOYSA-N -1 0 332.491 3.572 20 0 EHADRM CC(C)(Oc1ccccc1)C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1 ZINC001590907052 990871416 /nfs/dbraw/zinc/87/14/16/990871416.db2.gz JKIAXAYKVLUWIH-UHFFFAOYSA-N -1 0 346.408 3.515 20 0 EHADRM COc1cccc([C@H](NC(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)C(=O)[O-])c1 ZINC001599685604 990983420 /nfs/dbraw/zinc/98/34/20/990983420.db2.gz VSCDZGKSRNCAMN-LBTNJELSSA-N -1 0 347.455 3.790 20 0 EHADRM CC(C)C(=O)Nc1cccc(N[C@H](Cc2ccc(F)cc2)C(=O)[O-])c1 ZINC001590948659 990997859 /nfs/dbraw/zinc/99/78/59/990997859.db2.gz LQIMYKQEKNAOAK-QGZVFWFLSA-N -1 0 344.386 3.528 20 0 EHADRM CC(C)C(=O)Nc1cccc(NCc2[nH]cc(C(=O)[O-])c2C2CC2)c1 ZINC001590948870 991002012 /nfs/dbraw/zinc/00/20/12/991002012.db2.gz UBYRMHNDLHFCDA-UHFFFAOYSA-N -1 0 341.411 3.797 20 0 EHADRM CC(C)C(=O)c1ccc([C@H](C)C(=O)Oc2ccc(C(=O)[O-])cc2)cc1 ZINC001590949431 991007586 /nfs/dbraw/zinc/00/75/86/991007586.db2.gz QRWKENHZITZFHT-ZDUSSCGKSA-N -1 0 340.375 3.933 20 0 EHADRM COc1cccc2c1ncc(C)c2NC(=O)c1cccc(C(=O)[O-])c1 ZINC001599689060 991036003 /nfs/dbraw/zinc/03/60/03/991036003.db2.gz ATLDKSHGROEVKD-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM COc1cccc2c1CN(C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)C2 ZINC001599692985 991101245 /nfs/dbraw/zinc/10/12/45/991101245.db2.gz UFOMLARMFHNKDN-UHFFFAOYSA-N -1 0 346.770 3.595 20 0 EHADRM COc1cccc2cc(CNc3ncc(C(=O)[O-])cc3Cl)oc21 ZINC001599693642 991111477 /nfs/dbraw/zinc/11/14/77/991111477.db2.gz YZTRREQSJIWFNX-UHFFFAOYSA-N -1 0 332.743 3.800 20 0 EHADRM COc1ccccc1-c1nc(CN2CCCCC[C@H]2C(=O)[O-])cs1 ZINC001599695479 991143258 /nfs/dbraw/zinc/14/32/58/991143258.db2.gz WTZKHLJZMZVFFW-HNNXBMFYSA-N -1 0 346.452 3.648 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)C(=O)NCc1ccccc1C(=O)[O-] ZINC001590993014 991209138 /nfs/dbraw/zinc/20/91/38/991209138.db2.gz DPLAEQWMFOXXBE-SFHVURJKSA-N -1 0 325.408 3.516 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001590993704 991214317 /nfs/dbraw/zinc/21/43/17/991214317.db2.gz PLRHSJYUDHIXJS-AWEZNQCLSA-N -1 0 346.814 3.887 20 0 EHADRM CC(C)[C@@H](NC(=O)c1cc(C(=O)[O-])ccn1)c1ccccc1Cl ZINC001591019275 991303811 /nfs/dbraw/zinc/30/38/11/991303811.db2.gz UZLJHDVRJSUWLH-OAHLLOKOSA-N -1 0 332.787 3.560 20 0 EHADRM CC(C)[C@@H](OC(=O)c1ccc(COc2ccccc2)cc1)C(=O)[O-] ZINC001591046683 991435039 /nfs/dbraw/zinc/43/50/39/991435039.db2.gz CTHSSYIENPFTRY-QGZVFWFLSA-N -1 0 328.364 3.532 20 0 EHADRM COc1ccccc1N1CCC(Nc2cc(C)cc(C(=O)[O-])c2)CC1 ZINC001599714936 991437048 /nfs/dbraw/zinc/43/70/48/991437048.db2.gz QKMQPEPYJIUNEP-UHFFFAOYSA-N -1 0 340.423 3.783 20 0 EHADRM CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)c1cncc(C(=O)[O-])c1 ZINC001591058565 991473960 /nfs/dbraw/zinc/47/39/60/991473960.db2.gz QFXWOJRGYRELCZ-MRXNPFEDSA-N -1 0 346.814 3.903 20 0 EHADRM CC(C)[C@]1(C)C[C@H]1C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001591059080 991480925 /nfs/dbraw/zinc/48/09/25/991480925.db2.gz ZIEXHWAEOQNBBU-ZENOOKHLSA-N -1 0 343.345 3.787 20 0 EHADRM COc1ccccc1Oc1ccc(N[C@H](C(=O)[O-])C2CC2)cc1F ZINC001599717963 991489004 /nfs/dbraw/zinc/48/90/04/991489004.db2.gz ZTGXOHODETVZNQ-KRWDZBQOSA-N -1 0 331.343 3.902 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CC(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)CCO1 ZINC001591071693 991531268 /nfs/dbraw/zinc/53/12/68/991531268.db2.gz FZSZTRSOCBJTBI-YOEHRIQHSA-N -1 0 348.439 3.796 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CC(=O)Oc2ccc(Cl)cc2C(=O)[O-])CCO1 ZINC001591073343 991541329 /nfs/dbraw/zinc/54/13/29/991541329.db2.gz VOUFGQBOKYPXPB-NHYWBVRUSA-N -1 0 340.803 3.785 20 0 EHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)NCCc2ccc(C(=O)[O-])cc2)CC1 ZINC001591081972 991596030 /nfs/dbraw/zinc/59/60/30/991596030.db2.gz OKTACTFUQQAKBC-AEFFLSMTSA-N -1 0 346.471 3.831 20 0 EHADRM CN(CC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc(C(C)(C)C)cc1 ZINC001598397175 991668326 /nfs/dbraw/zinc/66/83/26/991668326.db2.gz RBMIIINDMKQIFJ-UHFFFAOYSA-N -1 0 340.423 3.757 20 0 EHADRM COc1nc(C)cc(C)c1CN(C)[C@H](C(=O)[O-])c1ccccc1Cl ZINC001599729088 991679673 /nfs/dbraw/zinc/67/96/73/991679673.db2.gz GHYKEXXEECKZJM-INIZCTEOSA-N -1 0 348.830 3.618 20 0 EHADRM CC(C)[C@@H]1OCCC[C@@H]1CNc1ncc(C(=O)[O-])cc1C(F)(F)F ZINC001591104381 991726624 /nfs/dbraw/zinc/72/66/24/991726624.db2.gz ALYSHIKPAKATQL-MFKMUULPSA-N -1 0 346.349 3.662 20 0 EHADRM CC(C)[C@@H]1c2ccccc2CCN1C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001591105773 991736295 /nfs/dbraw/zinc/73/62/95/991736295.db2.gz ZYIVDXLSCUPXJJ-SIXWZSSISA-N -1 0 344.455 3.595 20 0 EHADRM CC(C)C[C@@H](C)CC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001591134224 991836679 /nfs/dbraw/zinc/83/66/79/991836679.db2.gz QPMIZMIQIOJYDH-CYBMUJFWSA-N -1 0 331.412 3.862 20 0 EHADRM CC(C)C[C@@H](C)OC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001591138979 991862344 /nfs/dbraw/zinc/86/23/44/991862344.db2.gz WVUYYBJNDPISTF-GFCCVEGCSA-N -1 0 333.384 3.834 20 0 EHADRM COc1nsc(CN2CCC(C)(C)c3ccccc32)c1C(=O)[O-] ZINC001599741456 991864291 /nfs/dbraw/zinc/86/42/91/991864291.db2.gz XEMWCDHZUXXRDH-UHFFFAOYSA-N -1 0 332.425 3.538 20 0 EHADRM CC(C)C[C@H](CNC(=O)C(C)(C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001591144016 991875110 /nfs/dbraw/zinc/87/51/10/991875110.db2.gz HMUVKCXSRGEAFB-CQSZACIVSA-N -1 0 339.863 3.772 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccc2c(c1)C=CCCC2)C(=O)[O-] ZINC001591150762 991894303 /nfs/dbraw/zinc/89/43/03/991894303.db2.gz OXDOOHLSZUSISW-MRXNPFEDSA-N -1 0 330.428 3.905 20 0 EHADRM CC(C)C[C@@H]1C[C@@H](Nc2cc(C(F)(F)F)c(C(=O)[O-])cn2)CCO1 ZINC001591205533 992030158 /nfs/dbraw/zinc/03/01/58/992030158.db2.gz JNSQJMIXVHAFMM-WDEREUQCSA-N -1 0 346.349 3.804 20 0 EHADRM CC(C)C[C@@H]1CCN(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)C1 ZINC001591207720 992044957 /nfs/dbraw/zinc/04/49/57/992044957.db2.gz XRFYCROWJVZQGH-ZDUSSCGKSA-N -1 0 341.411 3.833 20 0 EHADRM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001591220754 992082012 /nfs/dbraw/zinc/08/20/12/992082012.db2.gz CAQLOSWXTQAJRM-JSGCOSHPSA-N -1 0 338.473 3.850 20 0 EHADRM C/C(=C/c1cccc(Cl)c1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000588593232 1032123579 /nfs/dbraw/zinc/12/35/79/1032123579.db2.gz DGTGIGFQJUBBOL-QLKUMGTLSA-N -1 0 335.831 3.847 20 0 EHADRM CC(C)CCCC(=O)N[C@H](C(=O)[O-])c1ccccc1Br ZINC001591229130 992108920 /nfs/dbraw/zinc/10/89/20/992108920.db2.gz VVURXUGUNWJFNR-AWEZNQCLSA-N -1 0 342.233 3.517 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)c2ccc(C(=O)[O-])n2C)cc1F ZINC001591260779 992171000 /nfs/dbraw/zinc/17/10/00/992171000.db2.gz OMUOYNFGGIGEAC-UHFFFAOYSA-N -1 0 348.374 3.540 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)NCC2(C(=O)[O-])CCCC2)c1 ZINC001591266095 992176233 /nfs/dbraw/zinc/17/62/33/992176233.db2.gz PPTRINBQDAONEN-UHFFFAOYSA-N -1 0 348.443 3.878 20 0 EHADRM CC(C)CCOc1ccccc1NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001591266143 992177474 /nfs/dbraw/zinc/17/74/74/992177474.db2.gz UZNGTVVALYFKSP-LSDHHAIUSA-N -1 0 348.443 3.876 20 0 EHADRM Cc1cc(C)c(NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])c(C)c1 ZINC000339819800 1015693217 /nfs/dbraw/zinc/69/32/17/1015693217.db2.gz MAKGVZVPPOCOFP-UHFFFAOYSA-N -1 0 339.370 3.895 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC001591310419 992272169 /nfs/dbraw/zinc/27/21/69/992272169.db2.gz YXSBQTQFEUZQMT-IRXDYDNUSA-N -1 0 349.446 3.915 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1ccc(Cl)c(F)c1 ZINC001591313110 992275002 /nfs/dbraw/zinc/27/50/02/992275002.db2.gz LPCKAGMASZJOSY-UHFFFAOYSA-N -1 0 329.799 3.688 20 0 EHADRM CC(C)CN(Cc1cccc(Cl)c1)C(=O)c1ccc(C(=O)[O-])o1 ZINC001591343687 992325399 /nfs/dbraw/zinc/32/53/99/992325399.db2.gz AHMOZIHQBOEOGQ-UHFFFAOYSA-N -1 0 335.787 3.930 20 0 EHADRM CC(C)CN(Cc1ccc(F)c(Cl)c1)c1ncc(C(=O)[O-])cn1 ZINC001591343714 992326382 /nfs/dbraw/zinc/32/63/82/992326382.db2.gz CBJFECPPILPAFF-UHFFFAOYSA-N -1 0 337.782 3.630 20 0 EHADRM CS[C@H](C)CCC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001599783738 992399221 /nfs/dbraw/zinc/39/92/21/992399221.db2.gz PSZAASQTYHFYTN-GFCCVEGCSA-N -1 0 341.498 3.865 20 0 EHADRM CC(C)COc1ccc(C(=O)N2CCc3c2cccc3C(=O)[O-])cc1 ZINC001591396347 992457632 /nfs/dbraw/zinc/45/76/32/992457632.db2.gz AXWMUFDCDRQQCT-UHFFFAOYSA-N -1 0 339.391 3.623 20 0 EHADRM CC(C)COc1ccc(NC(=O)C23CC(C(=O)[O-])(C2)C3)cc1Cl ZINC001591401135 992469762 /nfs/dbraw/zinc/46/97/62/992469762.db2.gz HETMODGESBNCPI-UHFFFAOYSA-N -1 0 337.803 3.568 20 0 EHADRM CN(Cc1cc(C(C)(C)C)n[nH]1)[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001598507583 992525621 /nfs/dbraw/zinc/52/56/21/992525621.db2.gz WLBOIMCBSKCVCG-OAHLLOKOSA-N -1 0 335.835 3.618 20 0 EHADRM CN(Cc1cc2ccccc2[nH]1)c1ncc(C(=O)[O-])cc1C(F)(F)F ZINC001598508585 992537211 /nfs/dbraw/zinc/53/72/11/992537211.db2.gz PVRZZAZLZOASNY-UHFFFAOYSA-N -1 0 349.312 3.916 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)NCc1ccc(C(F)F)cc1 ZINC001598511017 992568843 /nfs/dbraw/zinc/56/88/43/992568843.db2.gz DIHRIYARJFMNSM-UHFFFAOYSA-N -1 0 348.349 3.664 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)Cc1cc(F)ccc1OC(F)F ZINC001598513063 992583570 /nfs/dbraw/zinc/58/35/70/992583570.db2.gz LDYOGWQDQVYWTJ-UHFFFAOYSA-N -1 0 339.313 3.757 20 0 EHADRM CC(C)Cc1ccc(C(=O)N(CC(=O)[O-])Cc2ccccc2)cc1 ZINC001591477009 992595741 /nfs/dbraw/zinc/59/57/41/992595741.db2.gz DPYBKSFBMKXLAA-UHFFFAOYSA-N -1 0 325.408 3.612 20 0 EHADRM CC(C)Cc1ccc(C[S@](=O)[C@@H](C)c2nc(C(=O)[O-])co2)cc1 ZINC001591483287 992601288 /nfs/dbraw/zinc/60/12/88/992601288.db2.gz FAZFHMDBJQHRRT-MYODQAERSA-N -1 0 335.425 3.581 20 0 EHADRM CC(C)Cc1ccc(NC(=O)NC(C)(C)c2cc(C(=O)[O-])on2)cc1 ZINC001591483271 992601302 /nfs/dbraw/zinc/60/13/02/992601302.db2.gz DRJXZIVHMSUNST-UHFFFAOYSA-N -1 0 345.399 3.628 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)c1 ZINC001591488259 992615999 /nfs/dbraw/zinc/61/59/99/992615999.db2.gz DJNOIHSTIKATMA-LESCRADOSA-N -1 0 331.456 3.748 20 0 EHADRM CC(C)Cc1nc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cs1 ZINC001591490935 992626191 /nfs/dbraw/zinc/62/61/91/992626191.db2.gz OGWSGXWSJUTTCL-LRDDRELGSA-N -1 0 346.452 3.533 20 0 EHADRM CC(C)Cc1nsc(Nc2ccc(OCCCC(=O)[O-])cc2)n1 ZINC001591497587 992633599 /nfs/dbraw/zinc/63/35/99/992633599.db2.gz AREXTWHAHNJDLF-UHFFFAOYSA-N -1 0 335.429 3.724 20 0 EHADRM CC(C)Cn1cc(C(=O)N2CC[C@H](C)C[C@H]2C(=O)[O-])c2ccccc21 ZINC001591520098 992686110 /nfs/dbraw/zinc/68/61/10/992686110.db2.gz FBSIFHRGGINPRD-KSSFIOAISA-N -1 0 342.439 3.623 20 0 EHADRM CN(Cc1ccc(Oc2ccccc2)nn1)c1ccccc1C(=O)[O-] ZINC001598524659 992704133 /nfs/dbraw/zinc/70/41/33/992704133.db2.gz GGWLPKYOSOFISS-UHFFFAOYSA-N -1 0 335.363 3.604 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)c1ccc(-c2cccc3cccnc32)cc1 ZINC001591565444 992770987 /nfs/dbraw/zinc/77/09/87/992770987.db2.gz AMUDISIFYCDYAU-UHFFFAOYSA-N -1 0 348.402 3.837 20 0 EHADRM CN(Cc1cccnc1)C(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001598531063 992781551 /nfs/dbraw/zinc/78/15/51/992781551.db2.gz RBAFGVKJEBDJSK-UHFFFAOYSA-N -1 0 341.392 3.658 20 0 EHADRM O=C([O-])CCN(C(=O)CCCc1csc2ccccc12)C1CC1 ZINC000238033132 1015779219 /nfs/dbraw/zinc/77/92/19/1015779219.db2.gz VUSYDPYZGGBKLI-UHFFFAOYSA-N -1 0 331.437 3.690 20 0 EHADRM CN1CCCN(Cc2cccc(C(=O)[O-])c2)c2cc(Cl)ccc21 ZINC001598600843 993570445 /nfs/dbraw/zinc/57/04/45/993570445.db2.gz ACXDYQUOSQVXIQ-UHFFFAOYSA-N -1 0 330.815 3.885 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@@](C)(C(=O)[O-])C1)c1cc2ccccc2s1 ZINC001593062614 993578845 /nfs/dbraw/zinc/57/88/45/993578845.db2.gz GVTHHYGMEAKREZ-KPZWWZAWSA-N -1 0 346.452 3.859 20 0 EHADRM C[C@@H](NC(=O)N[C@@H]1CC=C(C(=O)[O-])C1)c1ccc(F)c2ccccc21 ZINC001593083602 993682708 /nfs/dbraw/zinc/68/27/08/993682708.db2.gz OUULZIKVXQBPQK-DGCLKSJQSA-N -1 0 342.370 3.513 20 0 EHADRM COc1ccc(NC(=O)N(C)Cc2cc(C)cc(C)c2)c(C(=O)[O-])c1 ZINC001599592165 993698974 /nfs/dbraw/zinc/69/89/74/993698974.db2.gz SIYNNFNLCGHOBS-UHFFFAOYSA-N -1 0 342.395 3.674 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(C2CC2)cc1)c1ncc(C(=O)[O-])s1 ZINC001593117794 993819017 /nfs/dbraw/zinc/81/90/17/993819017.db2.gz VIQCBHYZVGXGNU-VIFPVBQESA-N -1 0 331.397 3.601 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])nc1)c1csc2ccccc21 ZINC001593117979 993822013 /nfs/dbraw/zinc/82/20/13/993822013.db2.gz YFQMXQLEMFXYBJ-SNVBAGLBSA-N -1 0 341.392 3.877 20 0 EHADRM C[C@H](NC(=O)Nc1cccc(SCCC(=O)[O-])c1)c1cccnc1 ZINC001593118368 993828359 /nfs/dbraw/zinc/82/83/59/993828359.db2.gz KKECYSZMYGLFQR-LBPRGKRZSA-N -1 0 345.424 3.531 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C1(c2ccccc2)CCCC1 ZINC001593139161 993914016 /nfs/dbraw/zinc/91/40/16/993914016.db2.gz UAQRMPBFTPKORL-RYQLBKOJSA-N -1 0 343.467 3.894 20 0 EHADRM C[C@@H](N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)c1cscn1 ZINC001593190498 994122223 /nfs/dbraw/zinc/12/22/23/994122223.db2.gz PDRDYPHUEPGXLA-PELKAZGASA-N -1 0 330.331 3.638 20 0 EHADRM C[C@@H](NC(=S)Nc1cccc(CCC(=O)[O-])c1)c1ccccc1 ZINC001593190689 994125415 /nfs/dbraw/zinc/12/54/15/994125415.db2.gz UTYFUWPASTVEKG-CYBMUJFWSA-N -1 0 328.437 3.751 20 0 EHADRM C[C@@H](N[C@@H](C)c1ccc(C(=O)[O-])o1)c1ccc(Br)cn1 ZINC001593198440 994171645 /nfs/dbraw/zinc/17/16/45/994171645.db2.gz REAQMYUFCKSVKM-BDAKNGLRSA-N -1 0 339.189 3.547 20 0 EHADRM C[C@@H](N[C@H](C)c1ccc(Br)cn1)c1ccc(C(=O)[O-])o1 ZINC001593198445 994171720 /nfs/dbraw/zinc/17/17/20/994171720.db2.gz REAQMYUFCKSVKM-RKDXNWHRSA-N -1 0 339.189 3.547 20 0 EHADRM COc1ccc2c(c1)N(Cc1ccc(/C=C/C(=O)[O-])o1)CCCC2 ZINC001599630034 994203361 /nfs/dbraw/zinc/20/33/61/994203361.db2.gz PREVMGNEXHEPOF-MDZDMXLPSA-N -1 0 327.380 3.729 20 0 EHADRM C[C@H](N[C@@H](CCc1ccccc1)C(F)F)c1cncc(C(=O)[O-])c1 ZINC001593207073 994213052 /nfs/dbraw/zinc/21/30/52/994213052.db2.gz AKHGBXBLUKNCKS-LRDDRELGSA-N -1 0 334.366 3.697 20 0 EHADRM COc1ccc2c(c1)[C@H](NC(=O)Nc1cccc(C(=O)[O-])c1)CCC2 ZINC001599632028 994233115 /nfs/dbraw/zinc/23/31/15/994233115.db2.gz QULPELSPTJOSSK-QGZVFWFLSA-N -1 0 340.379 3.593 20 0 EHADRM COc1ccc2ccc(OC(=O)/C=C\c3cc(C(=O)[O-])co3)cc2c1 ZINC001599635611 994283585 /nfs/dbraw/zinc/28/35/85/994283585.db2.gz AYDAPFMTKXCWMI-SREVYHEPSA-N -1 0 338.315 3.758 20 0 EHADRM C[C@H]([NH2+][C@@H]1CCC[C@@H](CCCC(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593225554 994347253 /nfs/dbraw/zinc/34/72/53/994347253.db2.gz UZENEDSWXDYKSJ-ARKGTOAJSA-N -1 0 339.476 3.525 20 0 EHADRM COc1cccc(-n2ccnc2SC[C@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC001599640952 994358174 /nfs/dbraw/zinc/35/81/74/994358174.db2.gz OVHUUCJCXGGHGX-CZUORRHYSA-N -1 0 346.452 3.864 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1cc(Cl)cc(Cl)c1 ZINC001599643968 994397378 /nfs/dbraw/zinc/39/73/78/994397378.db2.gz OOYCHJZHBMUZOA-UHFFFAOYSA-N -1 0 341.146 3.919 20 0 EHADRM COc1cccc([C@H](C(=O)[O-])N(C)C(=O)c2cccc3ccccc32)c1 ZINC001599647623 994447425 /nfs/dbraw/zinc/44/74/25/994447425.db2.gz BZWILJAKJYVHKD-LJQANCHMSA-N -1 0 349.386 3.746 20 0 EHADRM COc1cccc(C(C)(C)C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c1 ZINC001599649103 994468379 /nfs/dbraw/zinc/46/83/79/994468379.db2.gz INHWURABTWBCNA-ZDUSSCGKSA-N -1 0 341.407 3.800 20 0 EHADRM CNC(=O)c1ccc(-c2ccc(OC(C)C)c(C(=O)[O-])c2)cc1C ZINC001598656722 994533912 /nfs/dbraw/zinc/53/39/12/994533912.db2.gz HWNWKHFSMTYJKT-UHFFFAOYSA-N -1 0 327.380 3.507 20 0 EHADRM COc1cccc(/C(C)=C/C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c1 ZINC001599654102 994551175 /nfs/dbraw/zinc/55/11/75/994551175.db2.gz FZXOZDBLUMQROX-UELRPHRMSA-N -1 0 339.391 3.925 20 0 EHADRM COc1cccc([C@@H](C)C(=O)Nc2c(C)sc(C)c2C(=O)[O-])c1 ZINC001599654679 994559314 /nfs/dbraw/zinc/55/93/14/994559314.db2.gz XDYDYBQHVOWPIT-SECBINFHSA-N -1 0 333.409 3.814 20 0 EHADRM COc1cccc([C@@H](NCc2ccc(C(C)(C)C)s2)C(=O)[O-])c1 ZINC001599660429 994647643 /nfs/dbraw/zinc/64/76/43/994647643.db2.gz VEUZVNRZGCCGSO-MRXNPFEDSA-N -1 0 333.453 3.970 20 0 EHADRM COc1cccc([C@H](Sc2nccc(C(C)(C)C)n2)C(=O)[O-])c1 ZINC001599661843 994667838 /nfs/dbraw/zinc/66/78/38/994667838.db2.gz REUVUBYCHUUMHY-AWEZNQCLSA-N -1 0 332.425 3.701 20 0 EHADRM COc1cccc([C@H](Sc2nnc(-c3ccoc3C)o2)C(=O)[O-])c1 ZINC001599662319 994675273 /nfs/dbraw/zinc/67/52/73/994675273.db2.gz XTBYURWEGYYDGU-ZDUSSCGKSA-N -1 0 346.364 3.565 20 0 EHADRM C[C@H](NCc1cc(Cl)cc(Cl)c1)c1ncc(C(=O)[O-])s1 ZINC001593292424 994677535 /nfs/dbraw/zinc/67/75/35/994677535.db2.gz LKDILFHFRYHICR-ZETCQYMHSA-N -1 0 331.224 3.999 20 0 EHADRM C[C@@H](NCc1cccc(-c2ccccn2)c1)c1ncc(C(=O)[O-])s1 ZINC001593304535 994748583 /nfs/dbraw/zinc/74/85/83/994748583.db2.gz NSABEHOLFOKKNA-GFCCVEGCSA-N -1 0 339.420 3.754 20 0 EHADRM C[C@H](NCc1ncc(Br)s1)c1cc(C(=O)[O-])cs1 ZINC001593316686 994813726 /nfs/dbraw/zinc/81/37/26/994813726.db2.gz JHZQKWHPMBSWMY-LURJTMIESA-N -1 0 347.259 3.516 20 0 EHADRM CNc1ccc(C(=O)O[C@H](C(=O)[O-])c2c(F)cccc2Cl)cc1 ZINC001598679194 994898288 /nfs/dbraw/zinc/89/82/88/994898288.db2.gz UMWDFMJKXXUFSE-AWEZNQCLSA-N -1 0 337.734 3.504 20 0 EHADRM CNc1ccc(Cl)c(C(=O)OCc2ccc(C(=O)[O-])cc2F)c1 ZINC001598679421 994902177 /nfs/dbraw/zinc/90/21/77/994902177.db2.gz GUYILOUKHWGMRH-UHFFFAOYSA-N -1 0 337.734 3.576 20 0 EHADRM COc1cccc(NC(=O)Nc2cc(C(=O)[O-])cc3cccnc32)c1 ZINC001599676338 994903644 /nfs/dbraw/zinc/90/36/44/994903644.db2.gz HXNRVHUKWVBLIE-UHFFFAOYSA-N -1 0 337.335 3.586 20 0 EHADRM COC(=O)[C@@H](N[C@@H](C)c1cc(C)ccc1C)c1cccc(C(=O)[O-])c1 ZINC001598706120 995289048 /nfs/dbraw/zinc/28/90/48/995289048.db2.gz NVAMZMIUNWBFKV-KSSFIOAISA-N -1 0 341.407 3.567 20 0 EHADRM COC(=O)[C@@H](Sc1nc2ccccc2o1)c1cccc(C(=O)[O-])c1 ZINC001598709919 995335269 /nfs/dbraw/zinc/33/52/69/995335269.db2.gz CPTPTDWVRPLSLF-AWEZNQCLSA-N -1 0 343.360 3.532 20 0 EHADRM COC(=O)[C@@H](SC[C@@H](C)C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001598713577 995377028 /nfs/dbraw/zinc/37/70/28/995377028.db2.gz WGOGAYCMBKCHCO-HQJQHLMTSA-N -1 0 337.224 3.661 20 0 EHADRM C[C@@H](OC(=O)C12CCC(C(=O)[O-])(CC1)C2)c1csc(C2CC2)n1 ZINC001593503020 995511653 /nfs/dbraw/zinc/51/16/53/995511653.db2.gz YWUXRQSXJYNHPW-OSWGYVBTSA-N -1 0 335.425 3.660 20 0 EHADRM C[C@H](OC(=O)COc1ccc(Cl)cc1C1CCCCC1)C(=O)[O-] ZINC001593534250 995585768 /nfs/dbraw/zinc/58/57/68/995585768.db2.gz SYFVKBXANUWBNY-NSHDSACASA-N -1 0 340.803 3.783 20 0 EHADRM C[C@@H](OC(=O)Cc1csc(C(C)(C)C)n1)c1cc(C(=O)[O-])co1 ZINC001593537507 995604462 /nfs/dbraw/zinc/60/44/62/995604462.db2.gz TWBWYPPBHRDNTQ-SECBINFHSA-N -1 0 337.397 3.579 20 0 EHADRM C[C@@H](OC(=O)c1cc(C2CC2)cnc1Cl)c1cc(C(=O)[O-])co1 ZINC001593556631 995645428 /nfs/dbraw/zinc/64/54/28/995645428.db2.gz SFXZZLZSOWVIEH-MRVPVSSYSA-N -1 0 335.743 3.822 20 0 EHADRM C[C@H](OC(=O)c1cccn1Cc1cccs1)c1cc(C(=O)[O-])co1 ZINC001593591358 995712946 /nfs/dbraw/zinc/71/29/46/995712946.db2.gz FNEGUWQIQYCUJJ-NSHDSACASA-N -1 0 345.376 3.807 20 0 EHADRM C[C@H](OC(=O)c1ccnc(C(=O)[O-])c1)c1ccc(C(C)(C)C)cc1 ZINC001593598112 995742997 /nfs/dbraw/zinc/74/29/97/995742997.db2.gz VLGJFRZSZNYUGK-LBPRGKRZSA-N -1 0 327.380 3.995 20 0 EHADRM C[C@@H](OC(=O)c1cscc1C(F)(F)F)c1cc(C(=O)[O-])co1 ZINC001593600970 995753215 /nfs/dbraw/zinc/75/32/15/995753215.db2.gz BWRVJEGCHSOETG-ZCFIWIBFSA-N -1 0 334.271 3.976 20 0 EHADRM C[C@H](OC(=O)c1ncoc1-c1ccc(F)cc1)c1cc(C(=O)[O-])co1 ZINC001593601374 995757083 /nfs/dbraw/zinc/75/70/83/995757083.db2.gz NIOKBQDRRNQPBA-VIFPVBQESA-N -1 0 345.282 3.690 20 0 EHADRM C[C@H](OCc1ccc(F)cc1)c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC001593608088 995792172 /nfs/dbraw/zinc/79/21/72/995792172.db2.gz QBIQJTIYASNBGF-NSHDSACASA-N -1 0 342.326 3.852 20 0 EHADRM C[C@@H](Oc1ccc(CN2CCc3cccc(F)c3[C@@H]2C)cc1)C(=O)[O-] ZINC001593615651 995836785 /nfs/dbraw/zinc/83/67/85/995836785.db2.gz NTSIIBSXHNESBD-UONOGXRCSA-N -1 0 343.398 3.797 20 0 EHADRM C[C@H](Oc1cccc2ccccc21)C(=O)N(CC(=O)[O-])c1ccccc1 ZINC001593640483 995946048 /nfs/dbraw/zinc/94/60/48/995946048.db2.gz IURUBPXQCXKIAX-HNNXBMFYSA-N -1 0 349.386 3.725 20 0 EHADRM C[C@H](Oc1ccccc1F)c1nnc(CC2(CC(=O)[O-])CCCC2)o1 ZINC001593652036 996015913 /nfs/dbraw/zinc/01/59/13/996015913.db2.gz WPGVRAUCEBRWIF-LBPRGKRZSA-N -1 0 348.374 3.926 20 0 EHADRM C[C@H](SCC(=O)Nc1ccccc1Sc1ccccc1)C(=O)[O-] ZINC001593657123 996030258 /nfs/dbraw/zinc/03/02/58/996030258.db2.gz YYQJYRPFPCWJHM-LBPRGKRZSA-N -1 0 347.461 3.983 20 0 EHADRM C[C@@H](SCC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC001593656999 996030447 /nfs/dbraw/zinc/03/04/47/996030447.db2.gz XCZRWYMLAMNPEF-ZCFIWIBFSA-N -1 0 341.738 3.504 20 0 EHADRM CC(C)[C@@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1ccccc1C(F)(F)F ZINC001593659456 996035435 /nfs/dbraw/zinc/03/54/35/996035435.db2.gz TVAQEBGUJRBQOB-JOYOIKCWSA-N -1 0 349.374 3.875 20 0 EHADRM C[C@H](SCc1ccccc1C(=O)[O-])C(=O)c1c[nH]c2ncccc12 ZINC001593663437 996044970 /nfs/dbraw/zinc/04/49/70/996044970.db2.gz NKHYCLCHXMZTCP-NSHDSACASA-N -1 0 340.404 3.766 20 0 EHADRM C[C@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001593667290 996056793 /nfs/dbraw/zinc/05/67/93/996056793.db2.gz MSNCEHJZCQTVEY-VIFPVBQESA-N -1 0 337.347 3.782 20 0 EHADRM C[C@H](Sc1ccccc1Br)C(=O)C(C)(C)C(=O)[O-] ZINC001593667522 996058634 /nfs/dbraw/zinc/05/86/34/996058634.db2.gz GKJPONOKOKZEIX-QMMMGPOBSA-N -1 0 331.231 3.610 20 0 EHADRM C[C@H](Sc1ccnc(C(=O)[O-])n1)c1ccc(OC(F)(F)F)cc1 ZINC001593679359 996099700 /nfs/dbraw/zinc/09/97/00/996099700.db2.gz JCOSVUSQVABKBZ-QMMMGPOBSA-N -1 0 344.314 3.927 20 0 EHADRM C[C@H](c1ccc(Cl)cc1Cl)N(C)c1ncc(C(=O)[O-])cn1 ZINC001593693556 996145843 /nfs/dbraw/zinc/14/58/43/996145843.db2.gz OCVOKPFXHZBYJJ-MRVPVSSYSA-N -1 0 326.183 3.679 20 0 EHADRM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccccc1CCC(=O)[O-] ZINC001593693927 996147017 /nfs/dbraw/zinc/14/70/17/996147017.db2.gz SEILHFVKPNWBGD-LBPRGKRZSA-N -1 0 347.361 3.815 20 0 EHADRM C[C@H](c1cccc(C(F)(F)F)c1)N(C)Cc1cc(C(=O)[O-])no1 ZINC001593698059 996160713 /nfs/dbraw/zinc/16/07/13/996160713.db2.gz DLQKDIDXPIZGON-SECBINFHSA-N -1 0 328.290 3.585 20 0 EHADRM C[C@H](c1ncc(C(=O)[O-])s1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC001593736514 996326692 /nfs/dbraw/zinc/32/66/92/996326692.db2.gz BGHKPYIJXVCPMM-SECBINFHSA-N -1 0 345.399 3.581 20 0 EHADRM C[C@@]1(C(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)CC=CCC1 ZINC001593745706 996376244 /nfs/dbraw/zinc/37/62/44/996376244.db2.gz XZBJKJQGUUNOCD-OAQYLSRUSA-N -1 0 341.451 3.912 20 0 EHADRM C[C@@]1(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CCc2ccccc2C1 ZINC001593750151 996394129 /nfs/dbraw/zinc/39/41/29/996394129.db2.gz XCIUYQNGVXIDLM-GHTZIAJQSA-N -1 0 343.467 3.721 20 0 EHADRM C[C@]1(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CCOc2ccccc21 ZINC001593759887 996417750 /nfs/dbraw/zinc/41/77/50/996417750.db2.gz NCLWHDDPRXBXQV-SFHVURJKSA-N -1 0 345.782 3.717 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)CCCCc2ccc(Cl)cc2)C1 ZINC001593766786 996448238 /nfs/dbraw/zinc/44/82/38/996448238.db2.gz WQYUBBDVYIYFNI-SFHVURJKSA-N -1 0 337.847 3.766 20 0 EHADRM CC(F)(F)c1ccccc1NC(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001593771088 996462365 /nfs/dbraw/zinc/46/23/65/996462365.db2.gz KEVWTJTXILIFIW-HNNXBMFYSA-N -1 0 326.343 3.517 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(-c3cccc(F)c3)s2)C1 ZINC001593772969 996469757 /nfs/dbraw/zinc/46/97/57/996469757.db2.gz OWMOJWJXJWMIQE-SFHVURJKSA-N -1 0 347.411 3.881 20 0 EHADRM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1ccccc1CCC(=O)[O-] ZINC001593826277 996571103 /nfs/dbraw/zinc/57/11/03/996571103.db2.gz VKNVVCPNRSNZIE-ZDUSSCGKSA-N -1 0 343.345 3.507 20 0 EHADRM CC1(C)CC(C(=O)NCc2ccc(CC(=O)[O-])cc2)CC(C)(C)C1 ZINC001593848156 996618358 /nfs/dbraw/zinc/61/83/58/996618358.db2.gz KULYVYMVBHQXKP-UHFFFAOYSA-N -1 0 331.456 3.782 20 0 EHADRM CC1(C)C[C@@H](C(=O)Nc2ccc(C(=O)[O-])cc2)c2ccccc2O1 ZINC001593848234 996619014 /nfs/dbraw/zinc/61/90/14/996619014.db2.gz MOAHDMLHKTWNHZ-OAHLLOKOSA-N -1 0 325.364 3.668 20 0 EHADRM CC1(C)CC(C(=O)NCCc2ccccc2C(=O)[O-])CC(C)(C)C1 ZINC001593848721 996620936 /nfs/dbraw/zinc/62/09/36/996620936.db2.gz YFGWBHOYHSAROT-UHFFFAOYSA-N -1 0 331.456 3.896 20 0 EHADRM CC1(C)C[C@@H](CNc2ncc(C(=O)[O-])cc2C(F)(F)F)C(C)(C)O1 ZINC001593855197 996639882 /nfs/dbraw/zinc/63/98/82/996639882.db2.gz VVHBFJBEWYGKKK-JTQLQIEISA-N -1 0 346.349 3.804 20 0 EHADRM CC1(C)C[C@H](Nc2cc(CC(=O)[O-])ccn2)c2ccc(F)cc2O1 ZINC001593859820 996652337 /nfs/dbraw/zinc/65/23/37/996652337.db2.gz KIXLXLUZKNZDKG-AWEZNQCLSA-N -1 0 330.359 3.562 20 0 EHADRM COC(=O)CCc1cccc(NCc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001598858607 996657721 /nfs/dbraw/zinc/65/77/21/996657721.db2.gz GZDMBWYAJBJQRO-UHFFFAOYSA-N -1 0 347.798 3.756 20 0 EHADRM CC1(C)C[C@]1(C(=O)Nc1ccc(CC(=O)[O-])c(F)c1)c1ccccc1 ZINC001593864862 996669688 /nfs/dbraw/zinc/66/96/88/996669688.db2.gz JZROVTBAMJZIRJ-HXUWFJFHSA-N -1 0 341.382 3.759 20 0 EHADRM CC1(C)CCC(CNC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC001593878149 996702890 /nfs/dbraw/zinc/70/28/90/996702890.db2.gz MJQAHHSGLQQEES-OXQOHEQNSA-N -1 0 329.440 3.578 20 0 EHADRM CC1(C)CC[C@@H]1C(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001593883515 996716446 /nfs/dbraw/zinc/71/64/46/996716446.db2.gz JKJOHKOHIWQKGN-SECBINFHSA-N -1 0 344.180 3.661 20 0 EHADRM COc1ccc(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)cc1F ZINC001599485745 996845390 /nfs/dbraw/zinc/84/53/90/996845390.db2.gz LBMBBLMQXCHSAT-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(O)c2)c2ccccc12 ZINC001599485995 996850652 /nfs/dbraw/zinc/85/06/52/996850652.db2.gz WHXOCCWZJVIDCU-UHFFFAOYSA-N -1 0 337.331 3.505 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccc(C(=O)[O-])cc2F)c2cc(F)ccc21 ZINC001593934495 996900674 /nfs/dbraw/zinc/90/06/74/996900674.db2.gz MBUMIXDSAYNXHB-UHFFFAOYSA-N -1 0 346.333 3.993 20 0 EHADRM CC1(C)CN(C(=O)c2ccccc2CCC(=O)[O-])[C@H]1c1cccs1 ZINC001593936358 996916259 /nfs/dbraw/zinc/91/62/59/996916259.db2.gz CRTFEUYVLXCZSG-KRWDZBQOSA-N -1 0 343.448 3.989 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)N2CCC(C)(C(C)C)CC2)c1 ZINC001599489953 996919851 /nfs/dbraw/zinc/91/98/51/996919851.db2.gz PYWLBUBJBCWJHE-UHFFFAOYSA-N -1 0 334.416 3.683 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)COc2ccc(C(C)C)cc2)c1 ZINC001599491118 996941423 /nfs/dbraw/zinc/94/14/23/996941423.db2.gz DOEXSQMRSBWKJG-UHFFFAOYSA-N -1 0 344.363 3.501 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)CC[C@H](C)c2ccccc2)c1 ZINC001599491348 996944367 /nfs/dbraw/zinc/94/43/67/996944367.db2.gz QRAVLGWNCVMGBL-ZDUSSCGKSA-N -1 0 328.364 3.883 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)[C@@H](C)SCc2ccccc2)c1 ZINC001599491481 996946991 /nfs/dbraw/zinc/94/69/91/996946991.db2.gz YEVPBBRSQJFBAX-GFCCVEGCSA-N -1 0 346.404 3.621 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(C)c(C)c1Cl ZINC001599386299 996951675 /nfs/dbraw/zinc/95/16/75/996951675.db2.gz LLSYASJNJCCANE-UHFFFAOYSA-N -1 0 333.771 3.916 20 0 EHADRM COCc1cc(NC(=O)NCC2(C)CCC(C)CC2)cc(C(=O)[O-])c1 ZINC001599287102 996999356 /nfs/dbraw/zinc/99/93/56/996999356.db2.gz FJSXVROFIWTNIT-UHFFFAOYSA-N -1 0 348.443 3.869 20 0 EHADRM COc1cc(C)c(C)cc1NC(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001599390825 997031624 /nfs/dbraw/zinc/03/16/24/997031624.db2.gz QBILWWZNOBOBCN-UHFFFAOYSA-N -1 0 348.443 3.859 20 0 EHADRM CC1(C)Cc2cc(NC(=O)N[C@H](CC(=O)[O-])C3CCCC3)ccc2O1 ZINC001593964180 997093856 /nfs/dbraw/zinc/09/38/56/997093856.db2.gz DHTFAIDLISBIQT-OAHLLOKOSA-N -1 0 346.427 3.555 20 0 EHADRM COc1ccc(C(=O)[O-])cc1CSc1nncc2ccccc21 ZINC001599500119 997101643 /nfs/dbraw/zinc/10/16/43/997101643.db2.gz UUFIIDGCPPAOJY-UHFFFAOYSA-N -1 0 326.377 3.629 20 0 EHADRM COc1cc(C)ccc1OCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001599394800 997105134 /nfs/dbraw/zinc/10/51/34/997105134.db2.gz AUDQMBRWRUSKEC-UHFFFAOYSA-N -1 0 339.347 3.936 20 0 EHADRM COc1cc(C)ccc1NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC001599395301 997113848 /nfs/dbraw/zinc/11/38/48/997113848.db2.gz WRJACRGKHJPXKX-LBPRGKRZSA-N -1 0 345.420 3.821 20 0 EHADRM CC1(C)Cc2ccccc2N(C(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC001593968748 997123106 /nfs/dbraw/zinc/12/31/06/997123106.db2.gz MFZXZQBRPBJZDP-UHFFFAOYSA-N -1 0 327.355 3.753 20 0 EHADRM COCc1ccccc1NC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC001599296511 997153088 /nfs/dbraw/zinc/15/30/88/997153088.db2.gz URHYXFFVGBVVCW-LBPRGKRZSA-N -1 0 328.368 3.665 20 0 EHADRM COc1cc(C=CC(=O)[O-])ccc1OCC(=O)c1ccc(C)c(C)c1 ZINC001599400102 997199363 /nfs/dbraw/zinc/19/93/63/997199363.db2.gz NUEXLXNLZRAAKX-RMKNXTFCSA-N -1 0 340.375 3.672 20 0 EHADRM COc1ccc([C@H](C)N(C)C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001599507520 997236245 /nfs/dbraw/zinc/23/62/45/997236245.db2.gz QYGUIIJFCJBTGJ-LBPRGKRZSA-N -1 0 328.368 3.618 20 0 EHADRM COc1ccc([C@@H](C)COc2ccc(/C=C\C(=O)[O-])cc2OC)cc1 ZINC001599507730 997240262 /nfs/dbraw/zinc/24/02/62/997240262.db2.gz YHFLHCLQGXERII-RCGFYWBFSA-N -1 0 342.391 3.984 20 0 EHADRM CC1(CCC(=O)N[C@H](CC(=O)[O-])c2ccc(C(F)(F)F)cc2)CC1 ZINC001593999466 997350495 /nfs/dbraw/zinc/35/04/95/997350495.db2.gz NTQJGZIPGZPUPN-CYBMUJFWSA-N -1 0 343.345 3.918 20 0 EHADRM COc1cc(CN2CCCCc3cc(C(=O)[O-])ccc32)ccc1F ZINC001599407912 997362550 /nfs/dbraw/zinc/36/25/50/997362550.db2.gz VNSWOZQRQYLIPR-UHFFFAOYSA-N -1 0 329.371 3.875 20 0 EHADRM COc1cc(Cl)c(C)cc1NC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001599418864 997558719 /nfs/dbraw/zinc/55/87/19/997558719.db2.gz VMZYMYPTTHYODC-ARJAWSKDSA-N -1 0 335.743 3.600 20 0 EHADRM COc1cc(Cl)c(Cl)cc1N[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]12 ZINC001599419346 997566828 /nfs/dbraw/zinc/56/68/28/997566828.db2.gz FDGIXZOOPJDIOF-APOZVJGGSA-N -1 0 330.211 3.913 20 0 EHADRM CO[C@@H]1CCC[C@H](CC(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC001599112529 997594647 /nfs/dbraw/zinc/59/46/47/997594647.db2.gz NPYYZTNAGCZVNE-WDEREUQCSA-N -1 0 326.776 3.539 20 0 EHADRM COCc1nc(=NCCC(c2ccccc2)c2ccccc2)s[n-]1 ZINC000471254315 1016142648 /nfs/dbraw/zinc/14/26/48/1016142648.db2.gz TYZSGWUMRKDKFX-UHFFFAOYSA-N -1 0 339.464 3.741 20 0 EHADRM COCC[C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)c2ccccc21 ZINC001599220795 997664328 /nfs/dbraw/zinc/66/43/28/997664328.db2.gz OWOQICFFFBIRBB-HNAYVOBHSA-N -1 0 325.408 3.843 20 0 EHADRM C[C@]1(Cc2cccc(Cl)c2)CCCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001594042067 997670686 /nfs/dbraw/zinc/67/06/86/997670686.db2.gz XNDGWMXDWLHQAX-QMTMVMCOSA-N -1 0 349.858 3.765 20 0 EHADRM COc1cc(F)cc(C[C@@H](C)Nc2ncc(C(=O)[O-])cc2Cl)c1 ZINC001599426505 997684572 /nfs/dbraw/zinc/68/45/72/997684572.db2.gz ROZQRLJNAZZNHQ-SECBINFHSA-N -1 0 338.766 3.624 20 0 EHADRM C[C@]1(NC(=O)C2(Cc3ccc(Cl)cc3)CC2)CCCC[C@@H]1C(=O)[O-] ZINC001594052072 997752115 /nfs/dbraw/zinc/75/21/15/997752115.db2.gz LJUIABIQSZBRQT-QAPCUYQASA-N -1 0 349.858 3.812 20 0 EHADRM CC(C)(c1ccc(C(=O)N(CCC(=O)[O-])C2CC2)cc1)C(F)(F)F ZINC000668269169 1016155537 /nfs/dbraw/zinc/15/55/37/1016155537.db2.gz FGKGZVHXOMMMLO-UHFFFAOYSA-N -1 0 343.345 3.606 20 0 EHADRM COC(=O)c1cc(CNc2ccc(F)c(Cl)c2)cc(C(=O)[O-])c1 ZINC001598933299 997812736 /nfs/dbraw/zinc/81/27/36/997812736.db2.gz GIEZVACQSPZXBT-UHFFFAOYSA-N -1 0 337.734 3.576 20 0 EHADRM C[C@@]1(NC(=O)Nc2cccc(CSCC(=O)[O-])c2)CC=CCC1 ZINC001594058125 997817665 /nfs/dbraw/zinc/81/76/65/997817665.db2.gz YBKCAWAUAVIPME-QGZVFWFLSA-N -1 0 334.441 3.625 20 0 EHADRM COc1c(NC(=O)CCSc2ccc(F)cc2)cccc1C(=O)[O-] ZINC001599338184 997875091 /nfs/dbraw/zinc/87/50/91/997875091.db2.gz ZLQYGJASVSXVGQ-UHFFFAOYSA-N -1 0 349.383 3.653 20 0 EHADRM CO[C@@H]1CCOc2c(NCc3ccc(C(=O)[O-])cc3F)cccc21 ZINC001599127373 997876994 /nfs/dbraw/zinc/87/69/94/997876994.db2.gz INRXOYNZJYJQOO-MRXNPFEDSA-N -1 0 331.343 3.606 20 0 EHADRM COc1cc(NC(=O)NC2(C)CCC(C)(C)CC2)ccc1C(=O)[O-] ZINC001599437902 997880243 /nfs/dbraw/zinc/88/02/43/997880243.db2.gz QZCSIJKNUISZJP-UHFFFAOYSA-N -1 0 334.416 3.874 20 0 EHADRM COc1cc(NC(=O)N[C@H](C)CCCC(F)(F)F)ccc1C(=O)[O-] ZINC001599438430 997890223 /nfs/dbraw/zinc/89/02/23/997890223.db2.gz XDMPDPHXZIDSSO-SECBINFHSA-N -1 0 348.321 3.636 20 0 EHADRM COc1cc(NC(=O)NCC2(CC(=O)[O-])CCCC2)ccc1Cl ZINC001599438848 997898444 /nfs/dbraw/zinc/89/84/44/997898444.db2.gz XBFHCYHKJFGLFT-UHFFFAOYSA-N -1 0 340.807 3.505 20 0 EHADRM COc1ccc(/C=C\C(=O)Nc2c(Cl)ccc(F)c2C(=O)[O-])cc1 ZINC001599545367 997913472 /nfs/dbraw/zinc/91/34/72/997913472.db2.gz YCRIYDDUQIGGJL-WTKPLQERSA-N -1 0 349.745 3.838 20 0 EHADRM COc1ccc(/C=C/C(=O)Nc2cc(F)cc(Cl)c2C(=O)[O-])cc1 ZINC001599545610 997917648 /nfs/dbraw/zinc/91/76/48/997917648.db2.gz ZTALRQUVPWXAIW-QPJJXVBHSA-N -1 0 349.745 3.838 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1Oc1ncnc2scc(C)c21 ZINC001599546120 997925969 /nfs/dbraw/zinc/92/59/69/997925969.db2.gz LQYLDXVBSIMZPD-XQRVVYSFSA-N -1 0 342.376 3.898 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OCC(=O)CCC1CCCC1 ZINC001599546239 997927777 /nfs/dbraw/zinc/92/77/77/997927777.db2.gz VDHBWSPWVLGNBU-DHZHZOJOSA-N -1 0 332.396 3.711 20 0 EHADRM COc1c(NC(=O)N[C@@H]2CCC[C@@H]2C(C)(C)C)cccc1C(=O)[O-] ZINC001599341610 997932340 /nfs/dbraw/zinc/93/23/40/997932340.db2.gz SSPDZEGYHKUGBE-QWHCGFSZSA-N -1 0 334.416 3.730 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OCc1csc([C@H](C)OC)n1 ZINC001599546669 997934788 /nfs/dbraw/zinc/93/47/88/997934788.db2.gz OWGOPGGNNQQABS-XOIDGJRKSA-N -1 0 349.408 3.536 20 0 EHADRM COc1cc(NC(=O)c2cccc(C(=O)[O-])n2)c(C2CC2)cc1Cl ZINC001599441741 997941367 /nfs/dbraw/zinc/94/13/67/997941367.db2.gz CPHCMKNRKUBPTP-UHFFFAOYSA-N -1 0 346.770 3.572 20 0 EHADRM CC1(c2ccccc2)CC(NC(=O)Nc2ccc(C(=O)[O-])s2)C1 ZINC001594076256 997945902 /nfs/dbraw/zinc/94/59/02/997945902.db2.gz FLUHXKCDTUFMLJ-UHFFFAOYSA-N -1 0 330.409 3.688 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1Oc1nc(CC(C)C)ns1 ZINC001599547591 997949687 /nfs/dbraw/zinc/94/96/87/997949687.db2.gz WAKGDERGAMMIQE-ALCCZGGFSA-N -1 0 334.397 3.635 20 0 EHADRM COc1c(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)cccc1C(=O)[O-] ZINC001599343193 997955948 /nfs/dbraw/zinc/95/59/48/997955948.db2.gz UWQFEIBAELYOJY-UONOGXRCSA-N -1 0 345.782 3.789 20 0 EHADRM CC1(c2ccccc2C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)CC1 ZINC001594078893 997956852 /nfs/dbraw/zinc/95/68/52/997956852.db2.gz BGVGLPCIROZGJP-MRXNPFEDSA-N -1 0 329.440 3.749 20 0 EHADRM COc1cc(NCc2cc(C(=O)[O-])c3n2CCCC3)c(C)cc1C ZINC001599443399 997968416 /nfs/dbraw/zinc/96/84/16/997968416.db2.gz DULIXZNQFZRDMZ-UHFFFAOYSA-N -1 0 328.412 3.760 20 0 EHADRM COc1cc(NCc2cc3ccccc3nc2OC)ccc1C(=O)[O-] ZINC001599443591 997970375 /nfs/dbraw/zinc/97/03/75/997970375.db2.gz JYBRVTNDISNXGG-UHFFFAOYSA-N -1 0 338.363 3.562 20 0 EHADRM COc1cc(NCc2nc3c(s2)C[C@@H](C)CC3)ccc1C(=O)[O-] ZINC001599443543 997970840 /nfs/dbraw/zinc/97/08/40/997970840.db2.gz HLCVALZXJZKTGV-JTQLQIEISA-N -1 0 332.425 3.587 20 0 EHADRM COc1ccc(CC(C)(C)NC(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC001599549392 997978696 /nfs/dbraw/zinc/97/86/96/997978696.db2.gz OHJUUXBOZGANFF-UHFFFAOYSA-N -1 0 348.424 3.598 20 0 EHADRM COc1cc(NC(=S)Nc2cc(C)ccc2F)ccc1C(=O)[O-] ZINC001599444768 997990138 /nfs/dbraw/zinc/99/01/38/997990138.db2.gz YOFPREVFKDRLGE-UHFFFAOYSA-N -1 0 334.372 3.650 20 0 EHADRM COc1ccc(NC(=O)c2ccc([O-])c(Cl)c2)c2ncccc12 ZINC000547784016 1016174816 /nfs/dbraw/zinc/17/48/16/1016174816.db2.gz HXXCSSWIJZHCMX-UHFFFAOYSA-N -1 0 328.755 3.855 20 0 EHADRM COc1cc(OC(=O)c2ccccc2C(F)(F)F)ccc1C(=O)[O-] ZINC001599447127 998027287 /nfs/dbraw/zinc/02/72/87/998027287.db2.gz DLEIBKSKYWYXTM-UHFFFAOYSA-N -1 0 340.253 3.631 20 0 EHADRM COc1cc(OC(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)ccc1C(=O)[O-] ZINC001599447777 998037258 /nfs/dbraw/zinc/03/72/58/998037258.db2.gz MMKWFXUOVHKIMI-DLBZAZTESA-N -1 0 340.375 3.719 20 0 EHADRM CO[C@@H]1Cc2ccc(NCc3c4ccccc4[nH]c3C(=O)[O-])cc2C1 ZINC001599138674 998088084 /nfs/dbraw/zinc/08/80/84/998088084.db2.gz NVIRQCXLZBKSOQ-OAHLLOKOSA-N -1 0 336.391 3.592 20 0 EHADRM CO[C@H]1Cc2ccc(NCc3c4ccccc4[nH]c3C(=O)[O-])cc2C1 ZINC001599138671 998088571 /nfs/dbraw/zinc/08/85/71/998088571.db2.gz NVIRQCXLZBKSOQ-HNNXBMFYSA-N -1 0 336.391 3.592 20 0 EHADRM COC(=O)c1cc(OCC[C@H]2CCc3ccccc32)cc(C(=O)[O-])c1 ZINC001598949446 998120712 /nfs/dbraw/zinc/12/07/12/998120712.db2.gz HTTHZPFUKLDVPQ-CQSZACIVSA-N -1 0 340.375 3.670 20 0 EHADRM CC1=C(C(=O)[O-])C[C@@H](COc2ccc(-c3ccccc3)cc2C=O)O1 ZINC001594107056 998171819 /nfs/dbraw/zinc/17/18/19/998171819.db2.gz SWKDFJIQDPBORM-KRWDZBQOSA-N -1 0 338.359 3.692 20 0 EHADRM COc1cc(OCc2ccccc2C(F)(F)F)ccc1C(=O)[O-] ZINC001599456270 998193862 /nfs/dbraw/zinc/19/38/62/998193862.db2.gz CBRQGHUTLMEOGV-UHFFFAOYSA-N -1 0 326.270 3.991 20 0 EHADRM CC1=C(C)C[C@H](C(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)CC1 ZINC001594109770 998197818 /nfs/dbraw/zinc/19/78/18/998197818.db2.gz KPASURXLXJAINM-CYBMUJFWSA-N -1 0 331.387 3.545 20 0 EHADRM COc1cc(OCC(=O)c2c(C)c(C)cc(C)c2C)ccc1C(=O)[O-] ZINC001599456548 998198299 /nfs/dbraw/zinc/19/82/99/998198299.db2.gz ZPYTYGDNIJLUKU-UHFFFAOYSA-N -1 0 342.391 3.889 20 0 EHADRM CC1=C(C)C[C@H](C(=O)N[C@@H](C)[C@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC001594110037 998203057 /nfs/dbraw/zinc/20/30/57/998203057.db2.gz OUNWBLRPOAIFJW-JQHSSLGASA-N -1 0 329.440 3.571 20 0 EHADRM COc1cc(C(=O)[O-])cc(NCc2cc(F)ccc2Cl)c1OC ZINC001599362167 998278676 /nfs/dbraw/zinc/27/86/76/998278676.db2.gz CWPWYQGKBGCRLZ-UHFFFAOYSA-N -1 0 339.750 3.807 20 0 EHADRM C[C@@H]1[C@@H](C(=O)N2c3ccccc3C[C@H](C)[C@@H]2C(=O)[O-])[C@H]1c1ccccc1 ZINC001594134353 998363948 /nfs/dbraw/zinc/36/39/48/998363948.db2.gz AUJZFPSVPMHQHV-LNARHQNUSA-N -1 0 349.430 3.715 20 0 EHADRM C[C@@H]1[C@H](C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)[C@H]1c1ccccc1 ZINC001594136682 998381659 /nfs/dbraw/zinc/38/16/59/998381659.db2.gz RGLFXZXEGQXEIY-ITDSCVKFSA-N -1 0 335.403 3.641 20 0 EHADRM COc1ccc(-c2cc(C(=O)O[C@@H](C(=O)[O-])C(C)C)sc2C)cc1 ZINC001599467269 998384090 /nfs/dbraw/zinc/38/40/90/998384090.db2.gz BTXUYFACYYBJAR-MRXNPFEDSA-N -1 0 348.420 3.998 20 0 EHADRM COC[C@@H](C)[C@H](C)C(=O)Nc1scc(-c2ccccc2)c1C(=O)[O-] ZINC001599157211 998392490 /nfs/dbraw/zinc/39/24/90/998392490.db2.gz BBAHZUPTMNKUGZ-NEPJUHHUSA-N -1 0 347.436 3.970 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N1C[C@@H](C)c2ccccc21 ZINC001599369911 998393969 /nfs/dbraw/zinc/39/39/69/998393969.db2.gz DQMRZBLFCHVGMA-LLVKDONJSA-N -1 0 326.352 3.549 20 0 EHADRM COC[C@H](C)[C@H](C)C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001599157729 998402880 /nfs/dbraw/zinc/40/28/80/998402880.db2.gz JHHJBORVRWXFSR-MWODSPESSA-N -1 0 349.210 3.581 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@@H](C(C)(C)C)C1 ZINC001599370888 998407809 /nfs/dbraw/zinc/40/78/09/998407809.db2.gz IWTSXGRGDWQSFH-CYBMUJFWSA-N -1 0 334.416 3.683 20 0 EHADRM COc1ccc(CNc2nc(C)nc3scc(C)c32)cc1C(=O)[O-] ZINC001599574153 998414394 /nfs/dbraw/zinc/41/43/94/998414394.db2.gz AAGVIRMKQMUJDD-UHFFFAOYSA-N -1 0 343.408 3.627 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)C(C)(C)c1ccc(Cl)cc1 ZINC001599371783 998421479 /nfs/dbraw/zinc/42/14/79/998421479.db2.gz UAPFYVYXPCXBNB-UHFFFAOYSA-N -1 0 347.798 3.963 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N1C[C@H](C)[C@@H]1c1ccccc1 ZINC001599371837 998422686 /nfs/dbraw/zinc/42/26/86/998422686.db2.gz YFDJZTLIWMDZSY-YVEFUNNKSA-N -1 0 340.379 3.618 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N(C)[C@@H](C)c1ccccc1F ZINC001599371857 998422799 /nfs/dbraw/zinc/42/27/99/998422799.db2.gz YVNSBDDWKJMSCM-NSHDSACASA-N -1 0 346.358 3.757 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1cc(Cl)nc(C2CC2)c1 ZINC001599374020 998458519 /nfs/dbraw/zinc/45/85/19/998458519.db2.gz IESKITCIJQIBAX-UHFFFAOYSA-N -1 0 346.770 3.572 20 0 EHADRM COCCc1nc2cc(N[C@H](C(=O)[O-])c3ccccc3C)ccc2o1 ZINC001599265802 998466167 /nfs/dbraw/zinc/46/61/67/998466167.db2.gz NFJZKSFUVWJDEQ-SFHVURJKSA-N -1 0 340.379 3.563 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1cc2c(cc(C)cc2C)[nH]1 ZINC001599374654 998468691 /nfs/dbraw/zinc/46/86/91/998468691.db2.gz WODPMRCHAWUXDS-UHFFFAOYSA-N -1 0 338.363 3.744 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001599374872 998470615 /nfs/dbraw/zinc/47/06/15/998470615.db2.gz YEZXEAZWYNOPPP-UONOGXRCSA-N -1 0 345.782 3.789 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NCc1nc2c(s1)C[C@@H](C)CC2 ZINC001599375426 998476951 /nfs/dbraw/zinc/47/69/51/998476951.db2.gz WINADOXPACBPLT-JTQLQIEISA-N -1 0 332.425 3.587 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)CCCc1sccc1C ZINC001599378035 998520716 /nfs/dbraw/zinc/52/07/16/998520716.db2.gz FSOVRPQSYXFJKQ-UHFFFAOYSA-N -1 0 334.393 3.692 20 0 EHADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)Nc1ccccc1-c1cccs1 ZINC001594156918 998573045 /nfs/dbraw/zinc/57/30/45/998573045.db2.gz OZKFQLNXAJBHND-RYUDHWBXSA-N -1 0 330.409 3.742 20 0 EHADRM COC(=O)c1ccc(NCc2ccc(Cl)c(F)c2)cc1C(=O)[O-] ZINC001598984164 998685025 /nfs/dbraw/zinc/68/50/25/998685025.db2.gz HPBHPMWOMINMOT-UHFFFAOYSA-N -1 0 337.734 3.576 20 0 EHADRM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1C(=O)c1cc2c(cccc2F)s1 ZINC001594206068 998792834 /nfs/dbraw/zinc/79/28/34/998792834.db2.gz OQSHKWDHMIKSAW-UWVGGRQHSA-N -1 0 335.400 3.754 20 0 EHADRM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1C(=O)c1cccc(-c2cscn2)c1 ZINC001594206164 998793230 /nfs/dbraw/zinc/79/32/30/998793230.db2.gz PSMXMGNQUKBKJF-RYUDHWBXSA-N -1 0 344.436 3.524 20 0 EHADRM C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001594213585 998823432 /nfs/dbraw/zinc/82/34/32/998823432.db2.gz DYHHVOPEFDITDL-GXSJLCMTSA-N -1 0 330.306 3.580 20 0 EHADRM C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001594215330 998828894 /nfs/dbraw/zinc/82/88/94/998828894.db2.gz RUYQHHJFZARLQM-ZFWWWQNUSA-N -1 0 332.444 3.992 20 0 EHADRM Cc1cscc1NC(=O)c1ccc(-n2ncc(C(=O)[O-])c2C)cc1 ZINC000683338298 1016257623 /nfs/dbraw/zinc/25/76/23/1016257623.db2.gz PZZRLWYLCIZPPV-UHFFFAOYSA-N -1 0 341.392 3.501 20 0 EHADRM C[C@@H]1C[C@H](CCNC(=O)C23CCC(C(=O)[O-])(CC2)C3)CC(C)(C)C1 ZINC001594232823 998888422 /nfs/dbraw/zinc/88/84/22/998888422.db2.gz SEBVDJDJBOHOHE-IDBCUWONSA-N -1 0 335.488 3.990 20 0 EHADRM C[C@H]1C[C@H](CC(=O)Nc2cccc(OCC(=O)[O-])c2)CC(C)(C)C1 ZINC001594233709 998891255 /nfs/dbraw/zinc/89/12/55/998891255.db2.gz ZIGJCTISYXFHSO-UONOGXRCSA-N -1 0 333.428 3.941 20 0 EHADRM C[C@@H]1CC(F)(F)CCN1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001594245615 998938490 /nfs/dbraw/zinc/93/84/90/998938490.db2.gz NCCRVUYAZUKFIQ-LLVKDONJSA-N -1 0 340.370 3.700 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CCS1 ZINC001594258501 998996003 /nfs/dbraw/zinc/99/60/03/998996003.db2.gz VCYFAZVUANKQDD-NEPJUHHUSA-N -1 0 344.436 3.944 20 0 EHADRM C[C@@H]1C[C@H](NC(=O)c2cc(C(=O)[O-])co2)C[C@@H](c2ccccc2)C1 ZINC001594261261 999008602 /nfs/dbraw/zinc/00/86/02/999008602.db2.gz VCWOZQGCZBALRE-NOLJZWGESA-N -1 0 327.380 3.680 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2ccc(/C=C\C(=O)[O-])o2)C1 ZINC001594270263 999044358 /nfs/dbraw/zinc/04/43/58/999044358.db2.gz RXLCBWWQPVDDND-CVZQOPCLSA-N -1 0 325.364 3.601 20 0 EHADRM C[C@@H]1C[C@@H]1c1cc(NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)n[nH]1 ZINC001594277372 999073393 /nfs/dbraw/zinc/07/33/93/999073393.db2.gz OZSKILSJLCUNHN-MFKMUULPSA-N -1 0 342.399 3.539 20 0 EHADRM CO[C@@H](C)C(=O)Nc1cccc(N[C@H](C)c2cc(C(=O)[O-])cs2)c1 ZINC001599035714 999081799 /nfs/dbraw/zinc/08/17/99/999081799.db2.gz GVOXBPLCFXORAG-MNOVXSKESA-N -1 0 348.424 3.593 20 0 EHADRM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC001594283506 999097907 /nfs/dbraw/zinc/09/79/07/999097907.db2.gz GKPURQWDLBMRBR-RVTLPWGWSA-N -1 0 337.419 3.764 20 0 EHADRM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001594283878 999099760 /nfs/dbraw/zinc/09/97/60/999099760.db2.gz IXSGKSQQYMQYPE-CDLYGTGVSA-N -1 0 325.767 3.798 20 0 EHADRM C[C@H]1CC2(CCC2)CN1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001594286983 999110539 /nfs/dbraw/zinc/11/05/39/999110539.db2.gz WUHTVAKNQPSTHH-ZDUSSCGKSA-N -1 0 348.468 3.801 20 0 EHADRM C[C@@H]1CC[C@@](NC(=O)C2=CC[C@@H](C)CC2)(C(=O)[O-])c2ccccc21 ZINC001594290726 999119670 /nfs/dbraw/zinc/11/96/70/999119670.db2.gz DLUSCFTZRYTPPD-JZKQVHKSSA-N -1 0 327.424 3.726 20 0 EHADRM C[C@H]1CC=C(C(=O)NCCc2cc3ccc(C(=O)[O-])cc3o2)CC1 ZINC001594291118 999121740 /nfs/dbraw/zinc/12/17/40/999121740.db2.gz PRLBJGZLGTZOEN-LBPRGKRZSA-N -1 0 327.380 3.536 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C[C@@H]1C ZINC001594295180 999135432 /nfs/dbraw/zinc/13/54/32/999135432.db2.gz FBXXBIQNDINWBI-ILXRZTDVSA-N -1 0 344.455 3.996 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C[C@@H]1C ZINC001594296559 999142745 /nfs/dbraw/zinc/14/27/45/999142745.db2.gz OEZJEKHPTWECER-VWYCJHECSA-N -1 0 341.354 3.997 20 0 EHADRM C[C@H]1CC[C@@H](CCC(=O)Nc2cc(C(=O)[O-])cc(Cl)c2Cl)O1 ZINC001594301786 999165546 /nfs/dbraw/zinc/16/55/46/999165546.db2.gz HQXNVNKWJGZGFY-WPRPVWTQSA-N -1 0 346.210 3.978 20 0 EHADRM C[C@@H]1CC[C@@H](CNC(=O)Nc2cccc(SCCC(=O)[O-])c2)C1 ZINC001594309111 999193518 /nfs/dbraw/zinc/19/35/18/999193518.db2.gz SJTKEVPWILIZDJ-CHWSQXEVSA-N -1 0 336.457 3.811 20 0 EHADRM C[C@@H]1CC[C@@](NC(=O)CCCC(F)(F)F)(C(=O)[O-])c2ccccc21 ZINC001594312867 999202008 /nfs/dbraw/zinc/20/20/08/999202008.db2.gz DXKKRJVWAVZBLO-BZNIZROVSA-N -1 0 343.345 3.713 20 0 EHADRM CO[C@@H](CNc1cc(C(F)(F)F)c(C(=O)[O-])cn1)C1CCCCC1 ZINC001599055825 999229165 /nfs/dbraw/zinc/22/91/65/999229165.db2.gz ROEJXGLVXXHKAL-ZDUSSCGKSA-N -1 0 346.349 3.806 20 0 EHADRM C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC001594329640 999266820 /nfs/dbraw/zinc/26/68/20/999266820.db2.gz BYPDFNNOUVONPE-CXAGYDPISA-N -1 0 339.395 3.785 20 0 EHADRM C[C@@H]1CCC[C@@H](NC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC001594348739 999322655 /nfs/dbraw/zinc/32/26/55/999322655.db2.gz BDRMCQSZYKCHRX-FVQBIDKESA-N -1 0 332.444 3.716 20 0 EHADRM C[C@@H]1CCC[C@H](NC(=O)CSCc2ccccc2C(=O)[O-])[C@H]1C ZINC001594351187 999332440 /nfs/dbraw/zinc/33/24/40/999332440.db2.gz XGSHINCKVFENEN-WWGRRREGSA-N -1 0 335.469 3.559 20 0 EHADRM C[C@H]1CCC[C@H](NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)CC1 ZINC001594352973 999337657 /nfs/dbraw/zinc/33/76/57/999337657.db2.gz XCOAQHMOLCXOMX-KBPBESRZSA-N -1 0 334.416 3.630 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)Nc1cccc(CO[C@@H]2CCC[C@@H](C)C2)c1 ZINC001594356100 999344024 /nfs/dbraw/zinc/34/40/24/999344024.db2.gz QXEHBBXEOXOEJS-CKEIUWERSA-N -1 0 348.443 3.767 20 0 EHADRM C[C@@H]1CCC[C@@H]1CC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001594356653 999347767 /nfs/dbraw/zinc/34/77/67/999347767.db2.gz CRRVBRBILPXUAY-MUKKUYKPSA-N -1 0 325.408 3.908 20 0 EHADRM C[C@H]1CCC[C@]1(C)C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001594357479 999351690 /nfs/dbraw/zinc/35/16/90/999351690.db2.gz MLZPGDNBGFRIAY-XJTZBENFSA-N -1 0 349.858 3.793 20 0 EHADRM C[C@@H]1CCCC[C@@H]1C(=O)Oc1ccc(C(=O)[O-])cc1Br ZINC001594363520 999372175 /nfs/dbraw/zinc/37/21/75/999372175.db2.gz GJCFIDGSQCMCQH-KOLCDFICSA-N -1 0 341.201 3.879 20 0 EHADRM C[C@@H]1CCCC[C@H]1C(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001594363938 999374564 /nfs/dbraw/zinc/37/45/64/999374564.db2.gz PFKGRLJKGOMGNS-CDHAZOANSA-N -1 0 337.847 3.668 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CC(=O)N1CCCC[C@@H]1c1ccc(C(=O)[O-])n1C ZINC001594364067 999375516 /nfs/dbraw/zinc/37/55/16/999375516.db2.gz SJMSQSFBBQEMKX-BFYDXBDKSA-N -1 0 346.471 3.993 20 0 EHADRM C[C@H]1CCCC[C@H]1NC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001594367597 999389498 /nfs/dbraw/zinc/38/94/98/999389498.db2.gz VSAMCDJSZKYTTH-QPUJVOFHSA-N -1 0 328.771 3.878 20 0 EHADRM C[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)CCCC(=O)[O-] ZINC001594376349 999419820 /nfs/dbraw/zinc/41/98/20/999419820.db2.gz MMFYADDJGDJVDG-OAHLLOKOSA-N -1 0 344.455 3.600 20 0 EHADRM C[C@@H]1CCCN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)c2ccccc21 ZINC001594379333 999430878 /nfs/dbraw/zinc/43/08/78/999430878.db2.gz RTERKQKPFBNOMY-PRWOLLLXSA-N -1 0 325.364 3.922 20 0 EHADRM C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001594388158 999468908 /nfs/dbraw/zinc/46/89/08/999468908.db2.gz INNUAGTZHSSLFM-ZTQAJYAQSA-N -1 0 344.455 3.596 20 0 EHADRM C[C@@H]1CCN(C(=O)C(c2ccccc2)c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001594394213 999485502 /nfs/dbraw/zinc/48/55/02/999485502.db2.gz HYPDXZPBUSGSCH-QAPCUYQASA-N -1 0 337.419 3.530 20 0 EHADRM C[C@@H]1CCN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)CC12CCCCC2 ZINC001594397112 999496243 /nfs/dbraw/zinc/49/62/43/999496243.db2.gz UHBAZUUYXABZHV-IQCBXXCUSA-N -1 0 331.412 3.810 20 0 EHADRM CC(C)c1cc(C(=O)N2CC[C@@H](C)C[C@H]2C(=O)[O-])c(O)c(C(C)C)c1 ZINC001594406648 999523313 /nfs/dbraw/zinc/52/33/13/999523313.db2.gz BKNMFGXTXFWSSU-DYVFJYSZSA-N -1 0 347.455 3.964 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cccc(SC(F)(F)F)c2)[C@H](C(=O)[O-])C1 ZINC001594411325 999535391 /nfs/dbraw/zinc/53/53/91/999535391.db2.gz LIKMENSMAYMPOM-SKDRFNHKSA-N -1 0 347.358 3.624 20 0 EHADRM CCC[C@@H](C)OC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC000748105752 1016530850 /nfs/dbraw/zinc/53/08/50/1016530850.db2.gz IIPMPBYUMMWJPU-GFCCVEGCSA-N -1 0 335.425 3.557 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@@H](CC(F)(F)F)c2ccccc2)CCCC1 ZINC000340164767 1016549057 /nfs/dbraw/zinc/54/90/57/1016549057.db2.gz TUERDCWPGKJOMW-ZDUSSCGKSA-N -1 0 343.345 3.831 20 0 EHADRM CC[C@@H](CNC(=O)N=c1[n-]nc(-c2ccco2)s1)c1ccccc1 ZINC000510231095 1016542909 /nfs/dbraw/zinc/54/29/09/1016542909.db2.gz WTIORPBKVKCYLR-LBPRGKRZSA-N -1 0 342.424 3.535 20 0 EHADRM CCOc1ccc(F)c(NC(=O)CC(CC)(CC)C(=O)[O-])c1F ZINC000340166222 1016557743 /nfs/dbraw/zinc/55/77/43/1016557743.db2.gz HCEAFYKJFKUDRH-UHFFFAOYSA-N -1 0 329.343 3.583 20 0 EHADRM Cc1ccc(F)c(C(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)c1 ZINC000589053044 1016561694 /nfs/dbraw/zinc/56/16/94/1016561694.db2.gz DUGNTJZPWBXGSC-UHFFFAOYSA-N -1 0 347.802 3.980 20 0 EHADRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccc(F)cc1C(F)(F)F ZINC000166114839 1016581547 /nfs/dbraw/zinc/58/15/47/1016581547.db2.gz WGCMQGNBYBJMDA-UHFFFAOYSA-N -1 0 344.220 3.711 20 0 EHADRM O=C(NCCc1ccc(OC(F)F)cc1)c1c(O)cccc1Cl ZINC000143464094 1016830893 /nfs/dbraw/zinc/83/08/93/1016830893.db2.gz QQGBSERWZSDYSB-UHFFFAOYSA-N -1 0 341.741 3.620 20 0 EHADRM CC(C(=O)N(Cc1ccccc1)C(C)C)=S([O-])c1cccs1 ZINC000179016602 1016840027 /nfs/dbraw/zinc/84/00/27/1016840027.db2.gz XNMGLUHQZGMWSH-JLCFBVMHSA-N -1 0 335.494 3.681 20 0 EHADRM CN(C(=O)c1cc(OCc2ccccc2)ccc1O)c1cccnc1 ZINC000179564772 1016874828 /nfs/dbraw/zinc/87/48/28/1016874828.db2.gz MJPXCPPAOYQLQZ-UHFFFAOYSA-N -1 0 334.375 3.643 20 0 EHADRM C[S@](=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2[O-])cc1 ZINC000179619670 1016877734 /nfs/dbraw/zinc/87/77/34/1016877734.db2.gz UKJBROWPHGWBRF-NRFANRHFSA-N -1 0 344.219 3.689 20 0 EHADRM CN(C(=O)c1cc(Oc2ccccc2)ccc1O)[C@@H]1CCSC1 ZINC000179997789 1016883350 /nfs/dbraw/zinc/88/33/50/1016883350.db2.gz NKJJTRPSTJGEEZ-CYBMUJFWSA-N -1 0 329.421 3.762 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1ccc(Cn2cccn2)cc1 ZINC000340316360 1016930488 /nfs/dbraw/zinc/93/04/88/1016930488.db2.gz CCAAAIFGHRVDDD-UHFFFAOYSA-N -1 0 327.771 3.543 20 0 EHADRM CCO[C@@H](C)c1ncc(C(=O)Nc2cccc(Cl)c2[O-])s1 ZINC000340320432 1016940713 /nfs/dbraw/zinc/94/07/13/1016940713.db2.gz QEMLBWVNIVYCKP-QMMMGPOBSA-N -1 0 326.805 3.852 20 0 EHADRM CCCCN(C(=O)N=c1cc(C)c(C)n[n-]1)[C@H](C)c1ccccc1 ZINC000547829906 1016981631 /nfs/dbraw/zinc/98/16/31/1016981631.db2.gz HUHFHBJIRHZUCH-MRXNPFEDSA-N -1 0 326.444 3.911 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H](CC(F)(F)F)c2ccccc2)cc1 ZINC000340342515 1016991806 /nfs/dbraw/zinc/99/18/06/1016991806.db2.gz JOHWKFKDJXVHLN-CQSZACIVSA-N -1 0 337.297 3.808 20 0 EHADRM C[C@H](NC(=O)NCCCCCC(=O)[O-])c1cccc2ccccc21 ZINC000414600506 1017007482 /nfs/dbraw/zinc/00/74/82/1017007482.db2.gz PDNUDGZLICBXKY-AWEZNQCLSA-N -1 0 328.412 3.845 20 0 EHADRM CCO[C@H](C)c1nc(CN(CC2CC2)[C@@](C)(CC)C(=O)[O-])cs1 ZINC000659792505 1017022756 /nfs/dbraw/zinc/02/27/56/1017022756.db2.gz BBPOQDSNKGYQTM-PXAZEXFGSA-N -1 0 340.489 3.706 20 0 EHADRM CCCc1nc(C)c(CN2[C@@H](C(=O)[O-])CC[C@H]2c2ccccc2)o1 ZINC000659794032 1017032704 /nfs/dbraw/zinc/03/27/04/1017032704.db2.gz IKYCIOOMIUDGRF-JKSUJKDBSA-N -1 0 328.412 3.726 20 0 EHADRM c1ccc([C@H]2CCC[C@H]2N=c2[n-]nc(C3CCOCC3)s2)cc1 ZINC000549122375 1017054088 /nfs/dbraw/zinc/05/40/88/1017054088.db2.gz IBGXMMNOAZIIIP-HZPDHXFCSA-N -1 0 329.469 3.602 20 0 EHADRM Cc1n[nH]c2cc(NS(=O)(=O)c3ccc4c(c3)CCCC4)ccc12 ZINC000536701555 1032161304 /nfs/dbraw/zinc/16/13/04/1032161304.db2.gz XPSJWAYSCWRKLG-UHFFFAOYSA-N -1 0 341.436 3.551 20 0 EHADRM Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1ccccc1F ZINC000183346488 1032162298 /nfs/dbraw/zinc/16/22/98/1032162298.db2.gz OCKXCDSAMDBPSC-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM Cc1cccc(C)c1OCCCOc1ccc(-c2n[n-]c(=N)o2)cc1 ZINC000461062513 1032231110 /nfs/dbraw/zinc/23/11/10/1032231110.db2.gz FPIFWLCMLKVNHL-UHFFFAOYSA-N -1 0 339.395 3.614 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)c1occc1-c1ccccc1)C(=O)[O-] ZINC000449137009 1032231525 /nfs/dbraw/zinc/23/15/25/1032231525.db2.gz WVBLVJDYPSYKEJ-OAHLLOKOSA-N -1 0 329.396 3.956 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)c1cccc(-c2cscn2)c1)C(=O)[O-] ZINC000449139298 1032242391 /nfs/dbraw/zinc/24/23/91/1032242391.db2.gz AJQSFBPUMWCYMH-AWEZNQCLSA-N -1 0 346.452 3.819 20 0 EHADRM CCc1cc(C)c(C(=O)Nc2n[nH]c(-c3cc4ccccc4o3)n2)o1 ZINC000485090176 1032301381 /nfs/dbraw/zinc/30/13/81/1032301381.db2.gz DDXPZFRTTSZJBO-UHFFFAOYSA-N -1 0 336.351 3.934 20 0 EHADRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000485098860 1032304787 /nfs/dbraw/zinc/30/47/87/1032304787.db2.gz AJVWNBWVEYPORI-UHFFFAOYSA-N -1 0 343.807 3.987 20 0 EHADRM Cc1sc(C2(C(=O)[O-])CCOCC2)nc1C1(c2ccccc2)CC1 ZINC000905003998 1032315940 /nfs/dbraw/zinc/31/59/40/1032315940.db2.gz YTJPDJPYUOSFPI-UHFFFAOYSA-N -1 0 343.448 3.664 20 0 EHADRM Fc1cccc2[nH]c(CN=c3nc(Cc4ccccc4)[n-]s3)cc21 ZINC000461208155 1032320590 /nfs/dbraw/zinc/32/05/90/1032320590.db2.gz HJBJEYWFZBYXJB-UHFFFAOYSA-N -1 0 338.411 3.783 20 0 EHADRM CCOCCCc1nc(=O)c2snc(-c3ccc(F)cc3)c2[n-]1 ZINC000905032103 1032320978 /nfs/dbraw/zinc/32/09/78/1032320978.db2.gz WNIQGOOPKYYXSQ-UHFFFAOYSA-N -1 0 333.388 3.567 20 0 EHADRM CC[C@H](CNC(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000584387404 1032327660 /nfs/dbraw/zinc/32/76/60/1032327660.db2.gz DBVZLBKYTNRRDW-CRAIPNDOSA-N -1 0 340.423 3.648 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000905123576 1032352278 /nfs/dbraw/zinc/35/22/78/1032352278.db2.gz GURKZQGLKWFMJE-XQZMSQOBSA-N -1 0 329.440 3.671 20 0 EHADRM C[C@H]1C[C@]1(NC(=O)NCCCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000414632135 1017093272 /nfs/dbraw/zinc/09/32/72/1017093272.db2.gz XNIXJQHKAUTKHI-YVEFUNNKSA-N -1 0 338.835 3.519 20 0 EHADRM O=C([O-])[C@@]1(Cc2ccccc2)CCCN1C(=O)Nc1ccc(F)cc1 ZINC000579910878 1017097161 /nfs/dbraw/zinc/09/71/61/1017097161.db2.gz YUQLYYQVRJDDKA-IBGZPJMESA-N -1 0 342.370 3.520 20 0 EHADRM Cc1c(CN(C)C(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])oc2c1cccc2C ZINC000602012167 1032580408 /nfs/dbraw/zinc/58/04/08/1032580408.db2.gz YNQPXHUHNWWJRK-OLZOCXBDSA-N -1 0 349.452 3.603 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])cc1 ZINC000601987432 1032583488 /nfs/dbraw/zinc/58/34/88/1032583488.db2.gz XPICCFCBLQBMDP-TUAOUCFPSA-N -1 0 341.498 3.571 20 0 EHADRM Cc1c(NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-])cccc1C(F)(F)F ZINC000601993881 1032584980 /nfs/dbraw/zinc/58/49/80/1032584980.db2.gz VYASDUNFZPZXEG-RKDXNWHRSA-N -1 0 335.347 3.547 20 0 EHADRM Cc1cccc([C@@H]2CCCCN2C(=O)[C@H](C)S[C@H](C)C(=O)[O-])c1C ZINC000601990173 1032584992 /nfs/dbraw/zinc/58/49/92/1032584992.db2.gz GPANHMUGUSUTRN-UXLLHSPISA-N -1 0 349.496 3.952 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)N1CCC[C@H]1c1ccccc1Cl ZINC000602002219 1032589309 /nfs/dbraw/zinc/58/93/09/1032589309.db2.gz OWMCYFQKYXLDRL-SUNKGSAMSA-N -1 0 341.860 3.598 20 0 EHADRM COCCOc1ccc(-c2ccc3[nH]c(C)c(CC(=O)[O-])c3c2)cc1 ZINC000515312003 1032607689 /nfs/dbraw/zinc/60/76/89/1032607689.db2.gz BTRHXDMKZHPBMK-UHFFFAOYSA-N -1 0 339.391 3.796 20 0 EHADRM CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000091017307 1032615468 /nfs/dbraw/zinc/61/54/68/1032615468.db2.gz KRQTXHGLGUYRHB-UHFFFAOYSA-N -1 0 341.454 3.573 20 0 EHADRM CN(CCCC(=O)Nc1cccc(Cl)c1[O-])C(=O)OC(C)(C)C ZINC000172357845 1032617822 /nfs/dbraw/zinc/61/78/22/1032617822.db2.gz WLDKPWXVOWYJRR-UHFFFAOYSA-N -1 0 342.823 3.631 20 0 EHADRM CSc1ccc(-c2ccc(CN3C(=O)CC[C@@H]3C(=O)[O-])cc2)cc1 ZINC000515339255 1032628482 /nfs/dbraw/zinc/62/84/82/1032628482.db2.gz DLZQWCPBHBLPNQ-QGZVFWFLSA-N -1 0 341.432 3.651 20 0 EHADRM Cn1cc(NC(=O)c2ccc(Cl)cc2[O-])c(-c2ccccc2)n1 ZINC000091146321 1032639712 /nfs/dbraw/zinc/63/97/12/1032639712.db2.gz WADIZLXGNUBSPA-UHFFFAOYSA-N -1 0 327.771 3.698 20 0 EHADRM CCCc1cnc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)s1 ZINC000537351002 1032651622 /nfs/dbraw/zinc/65/16/22/1032651622.db2.gz BZLYTBJLXTZQNG-UHFFFAOYSA-N -1 0 334.825 3.689 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)N3CCCC[C@H]3CCC(=O)[O-])c2c1 ZINC000237860286 1032665577 /nfs/dbraw/zinc/66/55/77/1032665577.db2.gz ZHHYHCYDOXZPDV-INIZCTEOSA-N -1 0 342.439 3.655 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N(CC(=O)[O-])C1CCC1 ZINC000655595022 1017126347 /nfs/dbraw/zinc/12/63/47/1017126347.db2.gz PVDXGVQBRGQXAE-UHFFFAOYSA-N -1 0 337.375 3.974 20 0 EHADRM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C(F)(F)F ZINC000683465807 1017232358 /nfs/dbraw/zinc/23/23/58/1017232358.db2.gz FZMCOEJOYJVRQD-ZANVPECISA-N -1 0 335.347 3.688 20 0 EHADRM CN(C[C@H]1CCCC[C@H]1O)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000183452368 1017332680 /nfs/dbraw/zinc/33/26/80/1017332680.db2.gz CWSMKBDVNWGNRQ-SJKOYZFVSA-N -1 0 347.842 3.822 20 0 EHADRM COc1ccc(N(C)C(=O)c2ccc3c(c2O)CCCC3)c(OC)c1 ZINC000183474220 1017338949 /nfs/dbraw/zinc/33/89/49/1017338949.db2.gz YENRSNHWZZRHPM-UHFFFAOYSA-N -1 0 341.407 3.565 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)c1 ZINC000537394471 1032693104 /nfs/dbraw/zinc/69/31/04/1032693104.db2.gz MQEBSXFSFQPPTR-UHFFFAOYSA-N -1 0 328.393 3.705 20 0 EHADRM Cc1ccccc1[C@H](C)N(C)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655906720 1017890072 /nfs/dbraw/zinc/89/00/72/1017890072.db2.gz NGGWBUTVTMEBJI-YQFWSFKMSA-N -1 0 346.471 3.833 20 0 EHADRM COC(=O)CCN(C(=O)c1cccc(Cl)c1[O-])c1ccccc1C ZINC001267651235 1017903149 /nfs/dbraw/zinc/90/31/49/1017903149.db2.gz SPWQBLNAXNPNTK-UHFFFAOYSA-N -1 0 347.798 3.564 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1ccc2oc(C(C)C)nc2c1 ZINC000046303809 1017975417 /nfs/dbraw/zinc/97/54/17/1017975417.db2.gz MCITZHULNLDHIY-UHFFFAOYSA-N -1 0 346.408 3.761 20 0 EHADRM CC(C)CCn1nccc1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000683713549 1018132133 /nfs/dbraw/zinc/13/21/33/1018132133.db2.gz JNDCKNAHFLXNQR-UHFFFAOYSA-N -1 0 345.827 3.523 20 0 EHADRM C[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)Nc1ccc(F)c(F)c1 ZINC000580028404 1018199862 /nfs/dbraw/zinc/19/98/62/1018199862.db2.gz NPNBEQKZIHGHIZ-NSHDSACASA-N -1 0 334.322 3.645 20 0 EHADRM O=C(N=c1[n-]nc(C2CC2)s1)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000580029965 1018227335 /nfs/dbraw/zinc/22/73/35/1018227335.db2.gz IKDCWAGITLPYRE-GFCCVEGCSA-N -1 0 348.859 3.512 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)Nc1ccc(CC(F)(F)F)cc1)C1CCC1 ZINC000580029830 1018229334 /nfs/dbraw/zinc/22/93/34/1018229334.db2.gz JPTBVARWUSTMLS-JTQLQIEISA-N -1 0 344.333 3.651 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000653298037 1018383676 /nfs/dbraw/zinc/38/36/76/1018383676.db2.gz PSUQYRYXVGJDHQ-LBPRGKRZSA-N -1 0 341.860 3.884 20 0 EHADRM CCCc1cc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)sc1C ZINC000013225806 1018441853 /nfs/dbraw/zinc/44/18/53/1018441853.db2.gz DISHQYYDTRHYOT-KKUMJFAQSA-N -1 0 335.469 3.867 20 0 EHADRM Clc1cnc2oc(CN=c3[n-]nc(C4CCCCC4)o3)cc2c1 ZINC000651167861 1018553016 /nfs/dbraw/zinc/55/30/16/1018553016.db2.gz ABCRWSCEUZSIAU-UHFFFAOYSA-N -1 0 332.791 3.946 20 0 EHADRM C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1Cc1occc1C(=O)[O-] ZINC000580084203 1018620973 /nfs/dbraw/zinc/62/09/73/1018620973.db2.gz NHFXKYXNTUOBLB-IAQYHMDHSA-N -1 0 335.787 3.593 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC000614387675 1018945406 /nfs/dbraw/zinc/94/54/06/1018945406.db2.gz RVILABVDBFHNRG-ZIAGYGMSSA-N -1 0 340.427 3.641 20 0 EHADRM COC(=O)c1ccc(Nc2cc(Cl)c([O-])c(Cl)c2)cc1O ZINC001210926636 1019062670 /nfs/dbraw/zinc/06/26/70/1019062670.db2.gz CFPWZAKVHBRWQM-UHFFFAOYSA-N -1 0 328.151 3.935 20 0 EHADRM Cc1oc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)nc1C1CC1 ZINC000656182960 1019082736 /nfs/dbraw/zinc/08/27/36/1019082736.db2.gz FJDPIDMDNFCHEG-UHFFFAOYSA-N -1 0 326.805 3.623 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3c([O-])cc(F)cc3F)C2)cc1 ZINC000683890924 1019110585 /nfs/dbraw/zinc/11/05/85/1019110585.db2.gz RENGDKCGJQQLFU-TZMCWYRMSA-N -1 0 331.362 3.997 20 0 EHADRM O=C([O-])c1ccccc1Nc1cncc(Br)c1Cl ZINC001210969512 1019149951 /nfs/dbraw/zinc/14/99/51/1019149951.db2.gz LVOFVYSXXFYKEG-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](Cc2cccc3ccccc32)C(=O)[O-])cc1 ZINC000683921610 1019245110 /nfs/dbraw/zinc/24/51/10/1019245110.db2.gz VLFLROIHXLCSFY-IBGZPJMESA-N -1 0 348.402 3.966 20 0 EHADRM FC(F)(F)[C@H](C[C@@H]1CCCO1)[N-]c1nc(-c2ccccc2)no1 ZINC000656224447 1019420514 /nfs/dbraw/zinc/42/05/14/1019420514.db2.gz IVNHPERIFSJYHU-RYUDHWBXSA-N -1 0 327.306 3.649 20 0 EHADRM COc1ccc2c(c1)[C@H](C(=O)Nc1cccc(C(=O)[O-])c1C)CCC2 ZINC000656233785 1019481556 /nfs/dbraw/zinc/48/15/56/1019481556.db2.gz KFTBHXUOAYTHHD-MRXNPFEDSA-N -1 0 339.391 3.760 20 0 EHADRM COc1cc(NC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)ccc1C(=O)[O-] ZINC000327711177 1019491182 /nfs/dbraw/zinc/49/11/82/1019491182.db2.gz BUIUDLWQZGYWBF-IAQYHMDHSA-N -1 0 343.379 3.681 20 0 EHADRM O=C([O-])C1(CNC(=O)c2ccc(C(F)F)cc2F)CCCCC1 ZINC000656237671 1019503948 /nfs/dbraw/zinc/50/39/48/1019503948.db2.gz CFCJTVIUHMLDSX-UHFFFAOYSA-N -1 0 329.318 3.528 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)C[C@@H]2OCc3ccccc32)cc1)C(=O)[O-] ZINC000656238130 1019511129 /nfs/dbraw/zinc/51/11/29/1019511129.db2.gz JPCZCSJKIOZGSX-UGSOOPFHSA-N -1 0 339.391 3.550 20 0 EHADRM O=S(=O)([N-]c1cc2c(cn1)CCCC2)c1cc(F)ccc1Cl ZINC000580506185 1019512860 /nfs/dbraw/zinc/51/28/60/1019512860.db2.gz RHIKCURXWLXZNY-UHFFFAOYSA-N -1 0 340.807 3.554 20 0 EHADRM Cc1cc(F)ccc1C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000433753708 1019570508 /nfs/dbraw/zinc/57/05/08/1019570508.db2.gz MQIQPPRAOLDNOD-UHFFFAOYSA-N -1 0 347.802 3.980 20 0 EHADRM CC1(CC(=O)[N-]S(=O)(=O)c2sccc2Cl)CCCCC1 ZINC000408504346 1019680750 /nfs/dbraw/zinc/68/07/50/1019680750.db2.gz WUKJFBSNACPQHO-UHFFFAOYSA-N -1 0 335.878 3.567 20 0 EHADRM Cc1csc(-c2cccc(NC(=O)N3CCCC[C@H]3C(=O)[O-])c2)n1 ZINC000580592700 1019708817 /nfs/dbraw/zinc/70/88/17/1019708817.db2.gz IEYYACPUBADFPY-AWEZNQCLSA-N -1 0 345.424 3.590 20 0 EHADRM C[C@@H]1CN(C(=O)c2cccc(Oc3ccccc3)c2)CC[C@@H]1C(=O)[O-] ZINC000262891799 1019759415 /nfs/dbraw/zinc/75/94/15/1019759415.db2.gz HMNXDHVXVPHAOZ-KDOFPFPSSA-N -1 0 339.391 3.662 20 0 EHADRM CC[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccccc1)c1ccc(C)cc1 ZINC000172660288 1032852421 /nfs/dbraw/zinc/85/24/21/1032852421.db2.gz UXCWEXKILVLFBV-QGZVFWFLSA-N -1 0 345.464 3.525 20 0 EHADRM COc1cc(NC(=O)[C@H]2C[C@@H]2c2sccc2C)ccc1C(=O)[O-] ZINC000262950553 1019774329 /nfs/dbraw/zinc/77/43/29/1019774329.db2.gz MTTVJJNTHYYTJH-STQMWFEESA-N -1 0 331.393 3.506 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@H](C)c2ccc(Br)s2)s[n-]1 ZINC000509930512 1019782771 /nfs/dbraw/zinc/78/27/71/1019782771.db2.gz ZVFKNQODLXAUOG-RQJHMYQMSA-N -1 0 348.291 3.665 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000263247779 1019851619 /nfs/dbraw/zinc/85/16/19/1019851619.db2.gz DIWSDRJFBRAURX-UHFFFAOYSA-N -1 0 339.391 3.872 20 0 EHADRM Cc1nc(C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)ccc1C(=O)[O-] ZINC000263370317 1019887197 /nfs/dbraw/zinc/88/71/97/1019887197.db2.gz XUZBWXPTJKIWDZ-INIZCTEOSA-N -1 0 344.798 3.719 20 0 EHADRM CCCOc1ccc(NC(=O)NO[C@@H]2CCCCO2)cc1Cl ZINC000155822287 1019893020 /nfs/dbraw/zinc/89/30/20/1019893020.db2.gz BEFBSFBXSYLUKL-CQSZACIVSA-N -1 0 328.796 3.709 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N[C@@H]1CCC[C@@H](C)CC1)C(=O)[O-] ZINC000263525449 1019924413 /nfs/dbraw/zinc/92/44/13/1019924413.db2.gz JNYMVZFPMLLLJD-HZSPNIEDSA-N -1 0 335.469 3.950 20 0 EHADRM C[C@H](Oc1nc(Cl)cc(=O)[n-]1)c1cccc(Br)c1F ZINC001225563390 1019963780 /nfs/dbraw/zinc/96/37/80/1019963780.db2.gz UPXZZGILHYIANF-LURJTMIESA-N -1 0 347.571 3.877 20 0 EHADRM CSc1ccccc1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000340775165 1019978443 /nfs/dbraw/zinc/97/84/43/1019978443.db2.gz HKRJBCIHTFYLSU-UHFFFAOYSA-N -1 0 348.371 3.623 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N(Cc2ccco2)C2CCCC2)s1 ZINC000345333565 1020152037 /nfs/dbraw/zinc/15/20/37/1020152037.db2.gz PSCPOJXOQKOELZ-UHFFFAOYSA-N -1 0 348.472 3.728 20 0 EHADRM CC[C@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)c1nc(C)cs1 ZINC000155914435 1020228764 /nfs/dbraw/zinc/22/87/64/1020228764.db2.gz UOFXHQUYOAHBCO-JTQLQIEISA-N -1 0 333.438 3.763 20 0 EHADRM COc1cc(Cl)ccc1CN(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000280250324 1020245532 /nfs/dbraw/zinc/24/55/32/1020245532.db2.gz OLXCFPFAGUBHQL-UHFFFAOYSA-N -1 0 349.843 3.691 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1cccc(SC)c1C ZINC000340821406 1020251533 /nfs/dbraw/zinc/25/15/33/1020251533.db2.gz LQEBURXQKUVODZ-UHFFFAOYSA-N -1 0 329.468 3.588 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N2CCCCC[C@@H]2C)s1 ZINC000471631521 1020276178 /nfs/dbraw/zinc/27/61/78/1020276178.db2.gz KJZMXNBXUFEQIX-LBPRGKRZSA-N -1 0 348.447 3.871 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CNC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c2ccccc21 ZINC000684133093 1020345728 /nfs/dbraw/zinc/34/57/28/1020345728.db2.gz IIFBHXVWKIUTRE-QZHFEQFPSA-N -1 0 341.451 3.697 20 0 EHADRM CCCCN(C(=O)N=c1[n-]nc(CC)s1)[C@H](C)c1ccccc1 ZINC000548152279 1020383441 /nfs/dbraw/zinc/38/34/41/1020383441.db2.gz LESBSVBHNQNNLR-CYBMUJFWSA-N -1 0 332.473 3.918 20 0 EHADRM CC1(C)Cc2cc(NC(=O)CC3(CC(=O)[O-])CCCC3)ccc2O1 ZINC000345613129 1020386433 /nfs/dbraw/zinc/38/64/33/1020386433.db2.gz QFGCOGHYTOLJCD-UHFFFAOYSA-N -1 0 331.412 3.764 20 0 EHADRM CC1(C)CCN(C(=O)c2cccc(Br)c2[O-])CCS1 ZINC000581065391 1020395746 /nfs/dbraw/zinc/39/57/46/1020395746.db2.gz IKZPXIHDRWIBNC-UHFFFAOYSA-N -1 0 344.274 3.512 20 0 EHADRM CCSc1ccc(C(=O)Nc2cc(Cl)c([O-])cc2F)cn1 ZINC000345622150 1020398530 /nfs/dbraw/zinc/39/85/30/1020398530.db2.gz LCTXFIRSTHYKFO-UHFFFAOYSA-N -1 0 326.780 3.944 20 0 EHADRM O=C([O-])C1(CC(=O)NCc2ccccc2OCC2CC2)CCCCC1 ZINC000606911495 1032898959 /nfs/dbraw/zinc/89/89/59/1032898959.db2.gz FAJSFVRKUFIGQV-UHFFFAOYSA-N -1 0 345.439 3.517 20 0 EHADRM C[C@H](CC(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21)Cc1cccc(F)c1 ZINC000345771237 1020501610 /nfs/dbraw/zinc/50/16/10/1020501610.db2.gz FTONFDXLQIQAGM-DHXZDTOLSA-N -1 0 347.430 3.639 20 0 EHADRM CCC[C@@H](C)C(=O)N[C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000345792186 1020524472 /nfs/dbraw/zinc/52/44/72/1020524472.db2.gz FVPVANWKSCXROS-NOZJJQNGSA-N -1 0 332.227 3.542 20 0 EHADRM Cc1[nH]c2ccccc2c1C(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1 ZINC000345903546 1020600385 /nfs/dbraw/zinc/60/03/85/1020600385.db2.gz KOKAYCFKBQUVEI-UHFFFAOYSA-N -1 0 347.374 3.768 20 0 EHADRM CC1(C)C[C@@H](Sc2n[n-]c(=NCCc3ccccc3)s2)CCO1 ZINC000581297088 1020649869 /nfs/dbraw/zinc/64/98/69/1020649869.db2.gz DVPKSRPCPAUKEF-AWEZNQCLSA-N -1 0 349.525 3.664 20 0 EHADRM CCCn1ccc2cc(NC(=O)N3CCC[C@@H](CC(=O)[O-])C3)ccc21 ZINC000581299970 1020649920 /nfs/dbraw/zinc/64/99/20/1020649920.db2.gz XYPHPOFUXIFUQG-AWEZNQCLSA-N -1 0 343.427 3.770 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)Nc1ccc2c(c1)CCOC2)C1CCCCC1 ZINC000656485103 1020706113 /nfs/dbraw/zinc/70/61/13/1020706113.db2.gz KJRFTBJASXQHPG-FQEVSTJZSA-N -1 0 345.439 3.759 20 0 EHADRM Cc1ccc(-c2cc([N-]S(=O)(=O)c3cc4ccccc4o3)n[nH]2)o1 ZINC000581349789 1020727359 /nfs/dbraw/zinc/72/73/59/1020727359.db2.gz LRERPUGKAZIAMI-UHFFFAOYSA-N -1 0 343.364 3.525 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)Nc1ccc(OC2CCCC2)cc1)C(=O)[O-] ZINC000581388751 1020771594 /nfs/dbraw/zinc/77/15/94/1020771594.db2.gz WVUBXOMEOQEKEW-WBMJQRKESA-N -1 0 334.416 3.629 20 0 EHADRM Cc1ccccc1S([O-])=CC(=O)N[C@H](c1ccccc1)C(C)C ZINC000108088210 1020779958 /nfs/dbraw/zinc/77/99/58/1020779958.db2.gz JGAHEYCJYPNQGI-WMZHIEFXSA-N -1 0 329.465 3.616 20 0 EHADRM CC[C@H](Cc1ccc(NCc2ccnn2CC2CC2)cc1)C(=O)[O-] ZINC000656566814 1020934087 /nfs/dbraw/zinc/93/40/87/1020934087.db2.gz WGYBXCYQNFZJIX-MRXNPFEDSA-N -1 0 327.428 3.559 20 0 EHADRM O=C([O-])CN(C(=O)NCc1ccc(-c2cccs2)cc1)C1CCC1 ZINC000656590432 1020966774 /nfs/dbraw/zinc/96/67/74/1020966774.db2.gz QNDQNIFESGSNDO-UHFFFAOYSA-N -1 0 344.436 3.564 20 0 EHADRM C/C=C\C[C@@H](NC(=O)Nc1ccc(OCCC(C)C)cc1)C(=O)[O-] ZINC000581526469 1021057424 /nfs/dbraw/zinc/05/74/24/1021057424.db2.gz RPRRTASUZWSSEA-YIEVGGLXSA-N -1 0 334.416 3.652 20 0 EHADRM CSc1ccc(Cl)c(NS(=O)(=O)c2cnn(C(C)C)c2)c1 ZINC000656633812 1021063859 /nfs/dbraw/zinc/06/38/59/1021063859.db2.gz OIGCZHKMMAAIJU-UHFFFAOYSA-N -1 0 345.877 3.640 20 0 EHADRM CCN(CC1CC1)C(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000156291186 1021133135 /nfs/dbraw/zinc/13/31/35/1021133135.db2.gz YFYHIGNGLXQZJO-UHFFFAOYSA-N -1 0 332.625 3.680 20 0 EHADRM CCCC[C@@H](NC(=O)Nc1ccc(OCC)c(Cl)c1)C(=O)[O-] ZINC000518420823 1021162169 /nfs/dbraw/zinc/16/21/69/1021162169.db2.gz YQDGDWZSOHBURN-GFCCVEGCSA-N -1 0 328.796 3.504 20 0 EHADRM O=C(NCCc1ccc2ccccc2n1)c1cc(F)cc(Cl)c1[O-] ZINC000436775411 1021205159 /nfs/dbraw/zinc/20/51/59/1021205159.db2.gz XCGYKCIIZLJZAC-UHFFFAOYSA-N -1 0 344.773 3.705 20 0 EHADRM Cn1cc(-c2noc(-c3ccc([O-])c(Cl)c3)n2)c(C(F)(F)F)n1 ZINC000436779946 1021208801 /nfs/dbraw/zinc/20/88/01/1021208801.db2.gz BDNHZCLILBFJEU-UHFFFAOYSA-N -1 0 344.680 3.515 20 0 EHADRM Cc1ccc(CS(=O)(=O)Nc2nccc(C)c2C2CC2)c(F)c1 ZINC000656739096 1021235390 /nfs/dbraw/zinc/23/53/90/1021235390.db2.gz LNYDBWRFTZDZLC-UHFFFAOYSA-N -1 0 334.416 3.657 20 0 EHADRM CN(Cc1ccc(Br)c(F)c1)C(=O)c1ccccc1O ZINC000436796847 1021242102 /nfs/dbraw/zinc/24/21/02/1021242102.db2.gz CMBRNAOYKWTZEM-UHFFFAOYSA-N -1 0 338.176 3.566 20 0 EHADRM C[C@]1(CNC(=O)c2c([O-])cc(Cl)cc2Cl)CCO[C@@H]1C1CC1 ZINC000436818768 1021247051 /nfs/dbraw/zinc/24/70/51/1021247051.db2.gz WAWMWJGBEWBKOU-GDBMZVCRSA-N -1 0 344.238 3.634 20 0 EHADRM O=C(NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1cc(F)cc(Cl)c1[O-] ZINC000436801537 1021249445 /nfs/dbraw/zinc/24/94/45/1021249445.db2.gz CLHMEKRWGVTMDL-XNRPHZJLSA-N -1 0 331.774 3.500 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1c(F)cccc1Oc1ccccc1 ZINC000507424152 1021257013 /nfs/dbraw/zinc/25/70/13/1021257013.db2.gz NVJMXPJKMLYKLF-QWHCGFSZSA-N -1 0 329.327 3.667 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CCCc2nc(C)cs2)c1 ZINC000436834208 1021267479 /nfs/dbraw/zinc/26/74/79/1021267479.db2.gz OOAAKCQIOOFEQJ-UHFFFAOYSA-N -1 0 332.425 3.711 20 0 EHADRM Cc1cccc(CCCNC(=O)c2c([O-])cc(Cl)cc2Cl)n1 ZINC000436825713 1021278184 /nfs/dbraw/zinc/27/81/84/1021278184.db2.gz HSKYJTVGROIRAB-UHFFFAOYSA-N -1 0 339.222 3.765 20 0 EHADRM CCOc1ccc(CN(C)C(=O)c2cc(F)c([O-])c(Cl)c2)cc1 ZINC000436853378 1021280378 /nfs/dbraw/zinc/28/03/78/1021280378.db2.gz BUNMJCCHVXJAQV-UHFFFAOYSA-N -1 0 337.778 3.856 20 0 EHADRM Cc1ccncc1C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000342463845 1021290299 /nfs/dbraw/zinc/29/02/99/1021290299.db2.gz UBPPVHOOQGMSPR-UHFFFAOYSA-N -1 0 341.592 3.764 20 0 EHADRM C[C@@H](NC(=O)c1cc(F)cc(Br)c1[O-])c1cccs1 ZINC000436846978 1021291741 /nfs/dbraw/zinc/29/17/41/1021291741.db2.gz DBARXQDJQJESBM-SSDOTTSWSA-N -1 0 344.205 3.846 20 0 EHADRM Cc1cc(S(=O)(=O)Nc2cccc(-c3ncco3)c2C)ccc1F ZINC000427302153 1021292082 /nfs/dbraw/zinc/29/20/82/1021292082.db2.gz NLURHUONNMCPTK-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM C[C@@H]1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000656765407 1021296515 /nfs/dbraw/zinc/29/65/15/1021296515.db2.gz LEOHSYOYJZFAGW-ISTVAULSSA-N -1 0 332.227 3.618 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cc3ccc(Cl)cc3[nH]2)c1 ZINC000436862119 1021299620 /nfs/dbraw/zinc/29/96/20/1021299620.db2.gz MTLSMVDQYJFZSJ-UHFFFAOYSA-N -1 0 328.755 3.982 20 0 EHADRM CC1(C)Cc2ccc(C(=O)Nc3cccc(Cl)c3[O-])c(O)c2O1 ZINC000436870012 1021311743 /nfs/dbraw/zinc/31/17/43/1021311743.db2.gz CRTDJVKJHACULQ-UHFFFAOYSA-N -1 0 333.771 3.717 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)c1 ZINC000436879692 1021329838 /nfs/dbraw/zinc/32/98/38/1021329838.db2.gz YHPMXLPZOZOATQ-UHFFFAOYSA-N -1 0 342.782 3.911 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cccc(Br)c2C)c1 ZINC000436880218 1021330920 /nfs/dbraw/zinc/33/09/20/1021330920.db2.gz ZYBOWSVIHATLGI-UHFFFAOYSA-N -1 0 348.196 3.918 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CCc2cnc3ccccc3c2)c1 ZINC000436881357 1021332410 /nfs/dbraw/zinc/33/24/10/1021332410.db2.gz SIXXRIITYFLYPC-UHFFFAOYSA-N -1 0 334.375 3.714 20 0 EHADRM Cc1nnc(-c2ccccc2C(=O)Nc2cc(F)cc(Cl)c2[O-])o1 ZINC000436909022 1021353193 /nfs/dbraw/zinc/35/31/93/1021353193.db2.gz XIYYWHSZSKIQSB-UHFFFAOYSA-N -1 0 347.733 3.795 20 0 EHADRM Cc1noc2nc(C)cc(C(=O)Nc3cc(F)cc(Cl)c3[O-])c12 ZINC000436908497 1021353765 /nfs/dbraw/zinc/35/37/65/1021353765.db2.gz VOPMOUNBUCJZOS-UHFFFAOYSA-N -1 0 335.722 3.590 20 0 EHADRM Cc1c([C@@H](C)NC(=O)c2cc(Cl)c3ccccc3c2[O-])cnn1C ZINC000436930634 1021368558 /nfs/dbraw/zinc/36/85/58/1021368558.db2.gz ZCHTUEOTGMXQJN-SNVBAGLBSA-N -1 0 343.814 3.732 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)[C@H](C)Cc2ccccc2)s[n-]1 ZINC000436915371 1021370418 /nfs/dbraw/zinc/37/04/18/1021370418.db2.gz OFSPGEASAOXHJV-GFCCVEGCSA-N -1 0 343.477 3.814 20 0 EHADRM CCc1cc([N-]S(=O)(=O)c2ccccc2-c2ccno2)ccc1F ZINC000507598969 1021389692 /nfs/dbraw/zinc/38/96/92/1021389692.db2.gz JOYQNIPWYNXGOE-UHFFFAOYSA-N -1 0 346.383 3.844 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)C[C@H]2CCCc3ccccc32)s[n-]1 ZINC000518651873 1021402882 /nfs/dbraw/zinc/40/28/82/1021402882.db2.gz NCNPUZGQYPBABB-CYBMUJFWSA-N -1 0 329.469 3.706 20 0 EHADRM O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)c1c([O-])cccc1F ZINC000436961973 1021410343 /nfs/dbraw/zinc/41/03/43/1021410343.db2.gz VXMKBABDTRBFIQ-UHFFFAOYSA-N -1 0 340.232 3.944 20 0 EHADRM Cc1nnc([C@H](C)NC(=O)c2cc(Cl)c3ccccc3c2[O-])s1 ZINC000436950769 1021417307 /nfs/dbraw/zinc/41/73/07/1021417307.db2.gz CSYRUVHEUYCCPW-QMMMGPOBSA-N -1 0 347.827 3.850 20 0 EHADRM CCN(C(=O)c1cc(F)cc(Br)c1[O-])c1ccccc1 ZINC000436994840 1021450839 /nfs/dbraw/zinc/45/08/39/1021450839.db2.gz AYQRQFPJLBDCDH-UHFFFAOYSA-N -1 0 338.176 3.961 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)c(C)c1 ZINC000607103175 1032985556 /nfs/dbraw/zinc/98/55/56/1032985556.db2.gz UVBBLKYIAYWFII-UHFFFAOYSA-N -1 0 331.437 3.893 20 0 EHADRM CSCc1ccc(C(=O)N[C@H](CC(=O)[O-])C2CCCCC2)cc1 ZINC000345991825 1021482298 /nfs/dbraw/zinc/48/22/98/1021482298.db2.gz FPFQYCFWRQMIBN-MRXNPFEDSA-N -1 0 335.469 3.703 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])C2CCCCC2)c(C)n1C(C)C ZINC000345999797 1021491815 /nfs/dbraw/zinc/49/18/15/1021491815.db2.gz OBBKOSCSIGDUKA-KRWDZBQOSA-N -1 0 334.460 3.839 20 0 EHADRM Cc1ccc(O)c(NC(=O)c2cc(C(C)C)n(-c3ccccc3)n2)n1 ZINC000346001573 1021494800 /nfs/dbraw/zinc/49/48/00/1021494800.db2.gz WQNAZQQCDFRKLW-UHFFFAOYSA-N -1 0 336.395 3.657 20 0 EHADRM CO[C@@H](C)c1nc(=NCC(C)(C)c2cccc(Cl)c2F)s[n-]1 ZINC000509609931 1021554636 /nfs/dbraw/zinc/55/46/36/1021554636.db2.gz SXXKDFWRLMOWDC-VIFPVBQESA-N -1 0 343.855 3.850 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)Nc1ccc(OC)cc1 ZINC000581703834 1021563280 /nfs/dbraw/zinc/56/32/80/1021563280.db2.gz GYRIRNZFBYESPE-QGZVFWFLSA-N -1 0 342.395 3.765 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)Cc2ccc(Cl)cc2)n1 ZINC000650455807 1021574293 /nfs/dbraw/zinc/57/42/93/1021574293.db2.gz SCVSUFKJEPBXPK-UHFFFAOYSA-N -1 0 330.862 3.691 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc1Cl ZINC000261754924 1021578565 /nfs/dbraw/zinc/57/85/65/1021578565.db2.gz NQOMXADQXXTNLR-MNOVXSKESA-N -1 0 325.792 3.567 20 0 EHADRM O=S(=O)([N-]c1n[nH]c2cccc(F)c21)c1cccc2ccccc21 ZINC000437176284 1021614202 /nfs/dbraw/zinc/61/42/02/1021614202.db2.gz LNFUBZYTLDSWSJ-UHFFFAOYSA-N -1 0 341.367 3.656 20 0 EHADRM CC(C)c1ccc(CCC(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000439707500 1021652033 /nfs/dbraw/zinc/65/20/33/1021652033.db2.gz MSLIRBMXEJVEMM-GOSISDBHSA-N -1 0 337.419 3.958 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)c(Cl)cn1)c1ccccc1Cl ZINC000437314321 1021722365 /nfs/dbraw/zinc/72/23/65/1021722365.db2.gz VJJMOWWCTFPRRM-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1cc(C)c(OC)cc1C ZINC000518968939 1021723161 /nfs/dbraw/zinc/72/31/61/1021723161.db2.gz HDEKZNVSCFDNEQ-UHFFFAOYSA-N -1 0 349.452 3.902 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccnn2-c2ccc(Cl)cc2)cc1 ZINC000437315544 1021723973 /nfs/dbraw/zinc/72/39/73/1021723973.db2.gz AHIUOQMUZYYRRK-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(-c2ccccc2)cn1 ZINC000437400985 1021797352 /nfs/dbraw/zinc/79/73/52/1021797352.db2.gz SGPKSQVIGZWLBY-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM Cc1cc(NC(=O)[C@H]2C[C@]23CCc2ccccc23)cc(C(=O)[O-])c1C ZINC000439899689 1021815049 /nfs/dbraw/zinc/81/50/49/1021815049.db2.gz WGVUDDMXHJQOMP-NQIIRXRSSA-N -1 0 335.403 3.844 20 0 EHADRM Cc1cc(Br)ccc1C[S@@](=O)[C@H](CC(C)C)C(=O)[O-] ZINC000578158433 1021823504 /nfs/dbraw/zinc/82/35/04/1021823504.db2.gz UIDBELWQYZSEFB-BFUOFWGJSA-N -1 0 347.274 3.506 20 0 EHADRM Cc1ccc(C[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)cc1 ZINC000439916989 1021823843 /nfs/dbraw/zinc/82/38/43/1021823843.db2.gz GOEHFWORYBXMEO-APWZRJJASA-N -1 0 339.435 3.814 20 0 EHADRM CCSc1ccc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000439946454 1021838355 /nfs/dbraw/zinc/83/83/55/1021838355.db2.gz PJBFWBSSRYSCIN-UHFFFAOYSA-N -1 0 329.421 3.769 20 0 EHADRM COc1ccc([C@H](C)[C@@H](C)Nc2cccc(CC(=O)[O-])c2)cc1OC ZINC000516914442 1021849559 /nfs/dbraw/zinc/84/95/59/1021849559.db2.gz NTEUAPJGMQHPKY-ZIAGYGMSSA-N -1 0 343.423 3.935 20 0 EHADRM O=[N+]([O-])c1cc(/C=C/c2ccc3c(cccc3[N+](=O)[O-])n2)ccc1[O-] ZINC000028912586 1021863568 /nfs/dbraw/zinc/86/35/68/1021863568.db2.gz JVDIEPRVVHHTET-GQCTYLIASA-N -1 0 337.291 3.927 20 0 EHADRM COc1ccc(OCC(=O)Nc2cc(Cl)c([O-])cc2F)cc1C ZINC000581841905 1021878118 /nfs/dbraw/zinc/87/81/18/1021878118.db2.gz JXARSRBPZKJAIV-UHFFFAOYSA-N -1 0 339.750 3.519 20 0 EHADRM Cc1coc2ccc(NC(=O)N[C@H](CCOC(C)(C)C)C(=O)[O-])cc12 ZINC000517075473 1022006337 /nfs/dbraw/zinc/00/63/37/1022006337.db2.gz OVOSNMLIIZPDFU-CQSZACIVSA-N -1 0 348.399 3.521 20 0 EHADRM CCC[C@@H]1[C@@H](C)CCCN1C(=O)N=c1[n-]nc(SCC)s1 ZINC000437653628 1022031204 /nfs/dbraw/zinc/03/12/04/1022031204.db2.gz KNEYLSQNBUEWFO-WDEREUQCSA-N -1 0 328.507 3.505 20 0 EHADRM Cc1ccc(-c2[n-][nH]c(=NC(=O)[C@H]3[C@H](c4ccccc4)[C@@H]3C)c2C)o1 ZINC000437668040 1022039334 /nfs/dbraw/zinc/03/93/34/1022039334.db2.gz RMVXMKSZHPMNLF-AFAVFJNCSA-N -1 0 335.407 3.697 20 0 EHADRM CCC(CC)(CC(=O)NCc1ccc(C(F)(F)F)cc1C)C(=O)[O-] ZINC000341511935 1022050541 /nfs/dbraw/zinc/05/05/41/1022050541.db2.gz MVQLPHRNNCQPKZ-UHFFFAOYSA-N -1 0 345.361 3.911 20 0 EHADRM Cc1ccc(Cc2cnc([N-]S(=O)(=O)c3ccoc3)s2)cc1C ZINC000506816458 1022081262 /nfs/dbraw/zinc/08/12/62/1022081262.db2.gz QPISBFPTXGBKHV-UHFFFAOYSA-N -1 0 348.449 3.745 20 0 EHADRM Cc1noc(C)c1[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000440313420 1022082029 /nfs/dbraw/zinc/08/20/29/1022082029.db2.gz PJXOVWPKYGOQIY-UHFFFAOYSA-N -1 0 336.800 3.899 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)NC[C@H]1CC=CCC1 ZINC000581922106 1022400836 /nfs/dbraw/zinc/40/08/36/1022400836.db2.gz JWFUTRMKFHKCDZ-RDJZCZTQSA-N -1 0 330.428 3.590 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)c1 ZINC000134042492 1022407263 /nfs/dbraw/zinc/40/72/63/1022407263.db2.gz UPXCLCHLPUNUKJ-UHFFFAOYSA-N -1 0 347.415 3.866 20 0 EHADRM CCCCOc1ccc(C(=O)N=c2ccc(C3CC3)n[n-]2)c(Cl)c1 ZINC000471824392 1022440846 /nfs/dbraw/zinc/44/08/46/1022440846.db2.gz SLHZLMDYZUBZCB-UHFFFAOYSA-N -1 0 345.830 3.861 20 0 EHADRM O=C(N=c1nc(-c2cccnc2)[n-]s1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000328782243 1022499461 /nfs/dbraw/zinc/49/94/61/1022499461.db2.gz GCEPOJIMTFBLJM-MGPQQGTHSA-N -1 0 342.468 3.567 20 0 EHADRM Cc1cc(C)nc([N-]S(=O)(=O)c2cc(C(C)C)ccc2Cl)n1 ZINC000330502455 1022605482 /nfs/dbraw/zinc/60/54/82/1022605482.db2.gz WWPNQEHESHBLFR-UHFFFAOYSA-N -1 0 339.848 3.671 20 0 EHADRM O=C(Cc1cc2c(ccc3ccccc23)o1)N=c1ccc(C2CC2)n[n-]1 ZINC000510532135 1022642077 /nfs/dbraw/zinc/64/20/77/1022642077.db2.gz HJANCIIVKQIXDR-UHFFFAOYSA-N -1 0 343.386 3.857 20 0 EHADRM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cc(F)cc(Cl)c1 ZINC000517798644 1022686456 /nfs/dbraw/zinc/68/64/56/1022686456.db2.gz RTSUNKCTIYCEPY-UHFFFAOYSA-N -1 0 345.827 3.674 20 0 EHADRM O=C([O-])CCCCNC(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000669506163 1033075081 /nfs/dbraw/zinc/07/50/81/1033075081.db2.gz IAEICCSXLAFWRQ-UHFFFAOYSA-N -1 0 338.713 3.735 20 0 EHADRM CC[C@H](C)c1ccc([C@H](NC(=O)CSCC(=O)[O-])C(C)C)cc1 ZINC000550201429 1022724661 /nfs/dbraw/zinc/72/46/61/1022724661.db2.gz OVVKGGAGZCWTLG-SCLBCKFNSA-N -1 0 337.485 3.831 20 0 EHADRM C[C@@H]1[C@H](C(=O)N=c2ccc(-c3ccccc3)n[n-]2)[C@H]1c1ccccc1 ZINC000430838054 1022767021 /nfs/dbraw/zinc/76/70/21/1022767021.db2.gz NQCPBCIDAYSZIG-KPOBHBOGSA-N -1 0 329.403 3.554 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000111995093 1022783068 /nfs/dbraw/zinc/78/30/68/1022783068.db2.gz JGSPEYXHOIIHCQ-UHFFFAOYSA-N -1 0 348.424 3.834 20 0 EHADRM CN(C(=O)c1ncccc1[O-])c1ccc(OCc2ccccc2)cc1 ZINC000187919351 1022842202 /nfs/dbraw/zinc/84/22/02/1022842202.db2.gz AFJWZPTVGRKKGX-UHFFFAOYSA-N -1 0 334.375 3.643 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)c(F)c1 ZINC000517925709 1022854476 /nfs/dbraw/zinc/85/44/76/1022854476.db2.gz VWTLVLCXGLKQDH-UHFFFAOYSA-N -1 0 349.427 3.862 20 0 EHADRM Cc1cc(C([O-])=CS(=O)(=O)c2ccccc2Cl)cc(C)c1F ZINC000428036053 1022871811 /nfs/dbraw/zinc/87/18/11/1022871811.db2.gz WDIFMOUGPWPZAQ-UHFFFAOYSA-N -1 0 340.803 3.753 20 0 EHADRM O=S(=O)(C=C([O-])c1ccc(F)c(Cl)c1)c1ccccc1Cl ZINC000428036191 1022872531 /nfs/dbraw/zinc/87/25/31/1022872531.db2.gz QWDDPPWCOFDXCU-UHFFFAOYSA-N -1 0 347.194 3.789 20 0 EHADRM CCOc1cccc([N-]S(=O)(=O)c2cc(OC)ccc2Cl)c1 ZINC000112266405 1022914355 /nfs/dbraw/zinc/91/43/55/1022914355.db2.gz PTRFJFSBQPRZDH-UHFFFAOYSA-N -1 0 341.816 3.548 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2)c(C)c1 ZINC000148109605 1033093645 /nfs/dbraw/zinc/09/36/45/1033093645.db2.gz PZSVWABALGNLNN-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM O=C(NCc1cc2ccccc2o1)c1cccc(Br)c1[O-] ZINC000518050866 1022948445 /nfs/dbraw/zinc/94/84/45/1022948445.db2.gz LFXDLKDZYSAJRU-UHFFFAOYSA-N -1 0 346.180 3.831 20 0 EHADRM Cc1ccc([C@@H](NCc2ccc(Br)s2)C(=O)[O-])cc1 ZINC000426686187 1022963355 /nfs/dbraw/zinc/96/33/55/1022963355.db2.gz MEHANLXCUBTNCH-CYBMUJFWSA-N -1 0 340.242 3.735 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 ZINC000237138008 1022970350 /nfs/dbraw/zinc/97/03/50/1022970350.db2.gz DXXHNJHURRKFHH-FKIZINRSSA-N -1 0 342.439 3.666 20 0 EHADRM O=C([O-])c1coc(CNCc2ccc(OC(F)F)c(Cl)c2)c1 ZINC000426688322 1022976920 /nfs/dbraw/zinc/97/69/20/1022976920.db2.gz PMNWARPYBIQKEK-UHFFFAOYSA-N -1 0 331.702 3.522 20 0 EHADRM Cc1ccc(-c2nc(CNCc3cc(C(=O)[O-])co3)cs2)cc1 ZINC000426688293 1022977120 /nfs/dbraw/zinc/97/71/20/1022977120.db2.gz PEHUUWVPURMBSP-UHFFFAOYSA-N -1 0 328.393 3.700 20 0 EHADRM CCOc1cc(-c2noc([C@@H](OC)C3CCC3)n2)cc(Cl)c1O ZINC000664847206 1022977665 /nfs/dbraw/zinc/97/76/65/1022977665.db2.gz WMMRWQPFJQJSNO-AWEZNQCLSA-N -1 0 338.791 3.982 20 0 EHADRM O=C([O-])[C@H](CC1CCCC1)NCc1nc(-c2ccccc2)cs1 ZINC000426763985 1023016443 /nfs/dbraw/zinc/01/64/43/1023016443.db2.gz VBVXUZRBHPUIGF-HNNXBMFYSA-N -1 0 330.453 3.933 20 0 EHADRM O=C([O-])[C@H](NCc1nc(-c2ccccc2)cs1)c1ccsc1 ZINC000426782983 1023043397 /nfs/dbraw/zinc/04/33/97/1023043397.db2.gz IUAQZBFGIHPGOI-OAHLLOKOSA-N -1 0 330.434 3.787 20 0 EHADRM CCc1ccc(C(=O)Nc2ccccc2CN(CC)C(C)=O)c(O)c1 ZINC000189602584 1023060457 /nfs/dbraw/zinc/06/04/57/1023060457.db2.gz QZVWLUQRSBIBNK-UHFFFAOYSA-N -1 0 340.423 3.575 20 0 EHADRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C(C)(C)C)no1 ZINC000426205535 1023080486 /nfs/dbraw/zinc/08/04/86/1023080486.db2.gz MUXWGCONOLVEOO-UHFFFAOYSA-N -1 0 328.821 3.735 20 0 EHADRM CC(C)Oc1ccccc1[C@@H](C)NC(=O)c1s[n-]c(=O)c1Cl ZINC000520478095 1023136883 /nfs/dbraw/zinc/13/68/83/1023136883.db2.gz XCFOHHYZPPUFEE-SECBINFHSA-N -1 0 340.832 3.780 20 0 EHADRM Cc1cc(=O)[n-]c(O[C@@H](C)c2cc(Br)ccc2F)n1 ZINC001226159788 1023141606 /nfs/dbraw/zinc/14/16/06/1023141606.db2.gz WAOSFWNHQQQTPI-QMMMGPOBSA-N -1 0 327.153 3.532 20 0 EHADRM O=C(N=c1cc(-c2ccccc2)[nH][nH]1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000439023170 1023212932 /nfs/dbraw/zinc/21/29/32/1023212932.db2.gz UTFJDPPFMDENCT-KBPBESRZSA-N -1 0 339.345 3.519 20 0 EHADRM O=C(N=c1cc(-c2ccccc2)[nH][nH]1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000439017157 1023223550 /nfs/dbraw/zinc/22/35/50/1023223550.db2.gz ANLRAINPKZVRRK-HIFRSBDPSA-N -1 0 339.345 3.519 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2O)s1 ZINC000439045941 1023240170 /nfs/dbraw/zinc/24/01/70/1023240170.db2.gz ZRMSNRMASFBKAS-UHFFFAOYSA-N -1 0 329.418 3.691 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)C[C@H](C)C(F)(F)F)s[n-]1 ZINC000629980060 1033132904 /nfs/dbraw/zinc/13/29/04/1033132904.db2.gz BOPVTPKGOMMJAD-ZETCQYMHSA-N -1 0 335.376 3.524 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1-n1c2cc(N)ccc2nc1C(F)(F)F ZINC001211622905 1033150980 /nfs/dbraw/zinc/15/09/80/1033150980.db2.gz QMXYKNBSYSJXHP-UHFFFAOYSA-N -1 0 335.285 3.633 20 0 EHADRM CC(C)c1cnc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)s1 ZINC000535894968 1023974735 /nfs/dbraw/zinc/97/47/35/1023974735.db2.gz MPXYKUUIYWLURM-UHFFFAOYSA-N -1 0 334.825 3.860 20 0 EHADRM CCSCc1ccc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1 ZINC000262332377 1024040897 /nfs/dbraw/zinc/04/08/97/1024040897.db2.gz FDMJHTAMHCSEDV-ZACQAIPSSA-N -1 0 347.480 3.798 20 0 EHADRM CC(=O)c1ccc(NC(=O)CC2(CC(=O)[O-])CCCCC2)cc1C ZINC000236660275 1024062406 /nfs/dbraw/zinc/06/24/06/1024062406.db2.gz PDIBAKXXPOLMJX-UHFFFAOYSA-N -1 0 331.412 3.951 20 0 EHADRM CCCOc1c(OC)cc(C(=O)[O-])cc1-c1cc(C(F)(F)F)[nH]n1 ZINC000657203064 1024071192 /nfs/dbraw/zinc/07/11/92/1024071192.db2.gz JCYBWALJGPESDR-UHFFFAOYSA-N -1 0 344.289 3.591 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)o1 ZINC000392242285 1024077432 /nfs/dbraw/zinc/07/74/32/1024077432.db2.gz LNKDAQITNGDSDC-DYVFJYSZSA-N -1 0 341.407 3.692 20 0 EHADRM Cc1c(C(=O)[O-])cc(S(C)(=O)=O)cc1-c1ccc2c(c1)CCCC2 ZINC000657203921 1024084608 /nfs/dbraw/zinc/08/46/08/1024084608.db2.gz JJJJVMAUKQCHGT-UHFFFAOYSA-N -1 0 344.432 3.643 20 0 EHADRM CNC(=O)c1ccc(-c2ccc(C3(C(=O)[O-])CCC3)cc2)c(Cl)c1 ZINC000657203454 1024085875 /nfs/dbraw/zinc/08/58/75/1024085875.db2.gz ZPFWYFJHBGAYHE-UHFFFAOYSA-N -1 0 343.810 3.873 20 0 EHADRM Cc1ccsc1-c1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000657206321 1024128560 /nfs/dbraw/zinc/12/85/60/1024128560.db2.gz HVLAHVLUFARHPB-UHFFFAOYSA-N -1 0 329.421 3.660 20 0 EHADRM NC(=O)c1cccc(-c2ccc(C3(C(=O)[O-])CCCCC3)cc2)c1F ZINC000657206329 1024128796 /nfs/dbraw/zinc/12/87/96/1024128796.db2.gz JRTXBQYSTLKFRO-UHFFFAOYSA-N -1 0 341.382 3.878 20 0 EHADRM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(F)(F)F ZINC000443936956 1024135435 /nfs/dbraw/zinc/13/54/35/1024135435.db2.gz ANWUVZGOUOGCFO-RCOVLWMOSA-N -1 0 335.800 3.657 20 0 EHADRM CC(C)Oc1ccc([C@@H](C)NC(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC000262196989 1024145971 /nfs/dbraw/zinc/14/59/71/1024145971.db2.gz RQXRTFLHTQWNJI-CQSZACIVSA-N -1 0 341.407 3.592 20 0 EHADRM Cc1[n-]n(-c2ccccc2Cl)c(=O)c1C(=O)Nc1cccc(C)c1 ZINC000505448556 1024224844 /nfs/dbraw/zinc/22/48/44/1024224844.db2.gz BMWXHKSDFPJJQZ-MRXNPFEDSA-N -1 0 341.798 3.626 20 0 EHADRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccccc1OC(C)C ZINC000434626945 1024225973 /nfs/dbraw/zinc/22/59/73/1024225973.db2.gz KURBGNPSIRIODI-UHFFFAOYSA-N -1 0 349.452 3.900 20 0 EHADRM CCC[C@@](C)(NC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)[O-] ZINC000262203063 1024230673 /nfs/dbraw/zinc/23/06/73/1024230673.db2.gz JRQHNYUFGIUDIY-GOSISDBHSA-N -1 0 345.420 3.681 20 0 EHADRM C[C@@H](Sc1ccc(NCc2cccc3c2OCCO3)cc1)C(=O)[O-] ZINC000417643518 1024239934 /nfs/dbraw/zinc/23/99/34/1024239934.db2.gz AMDKKLVOZDNGKQ-GFCCVEGCSA-N -1 0 345.420 3.635 20 0 EHADRM CCCCOc1ccc(OC)cc1NC(=O)[C@@](C)(CC)CC(=O)[O-] ZINC000634817249 1024273590 /nfs/dbraw/zinc/27/35/90/1024273590.db2.gz UYRJKNSCMJLQDT-SFHVURJKSA-N -1 0 337.416 3.704 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(C)cc(Br)c2)s1 ZINC000062192827 1024275900 /nfs/dbraw/zinc/27/59/00/1024275900.db2.gz ZAGHXMPBHXOSBA-UHFFFAOYSA-N -1 0 346.271 3.928 20 0 EHADRM CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000520624342 1024281720 /nfs/dbraw/zinc/28/17/20/1024281720.db2.gz ATMIZSZWFPNEOO-UHFFFAOYSA-N -1 0 335.425 3.512 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c1O ZINC000684653086 1024288890 /nfs/dbraw/zinc/28/88/90/1024288890.db2.gz KBEKODNDCSFWLD-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2cccc(F)c2Cl)cc1)C(=O)[O-] ZINC000191401687 1024304325 /nfs/dbraw/zinc/30/43/25/1024304325.db2.gz SAVHLOXQMJWKPJ-SNVBAGLBSA-N -1 0 335.762 3.995 20 0 EHADRM CC(C)CCC1CCN(C(=O)CCc2ccccc2C(=O)[O-])CC1 ZINC000262213710 1024307857 /nfs/dbraw/zinc/30/78/57/1024307857.db2.gz UKWFRVIIXRRQBP-UHFFFAOYSA-N -1 0 331.456 3.992 20 0 EHADRM COc1ccccc1-c1cc(Nc2cc(C)cc(C(=O)[O-])c2)n(C)n1 ZINC001211535211 1024324881 /nfs/dbraw/zinc/32/48/81/1024324881.db2.gz TVVOYJQVOXZKMP-UHFFFAOYSA-N -1 0 337.379 3.846 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)CCc1cc(Cl)cs1)CC2 ZINC000262218875 1024375947 /nfs/dbraw/zinc/37/59/47/1024375947.db2.gz QSWFGKCULCEEEJ-UHFFFAOYSA-N -1 0 349.839 3.617 20 0 EHADRM CCC(CC)c1n[n-]c(=NCc2ccc(-n3ccnc3)cc2)s1 ZINC000346113499 1024413506 /nfs/dbraw/zinc/41/35/06/1024413506.db2.gz DWUVSJNBJBBMEA-UHFFFAOYSA-N -1 0 327.457 3.661 20 0 EHADRM CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184421884 1024415034 /nfs/dbraw/zinc/41/50/34/1024415034.db2.gz CMTXZPNQQDJZFF-BONVTDFDSA-N -1 0 343.826 3.756 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)o1 ZINC000191569441 1024418208 /nfs/dbraw/zinc/41/82/08/1024418208.db2.gz LJKGYMNZRDKEHD-UHFFFAOYSA-N -1 0 342.282 3.557 20 0 EHADRM CC(C)c1cnc(-c2ccc(NC(=O)N(C)C[C@@H](C)C(=O)[O-])cc2)o1 ZINC000417741821 1024461902 /nfs/dbraw/zinc/46/19/02/1024461902.db2.gz ASFBPMXFVJFJRX-GFCCVEGCSA-N -1 0 345.399 3.649 20 0 EHADRM Cc1ccc2[nH]c([N-]S(=O)(=O)c3ccc(C)cc3Cl)nc2c1 ZINC000427625378 1024482015 /nfs/dbraw/zinc/48/20/15/1024482015.db2.gz FAXHZNKYYXMFTQ-UHFFFAOYSA-N -1 0 335.816 3.634 20 0 EHADRM Cc1ccc(CCC(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)s1 ZINC000909521611 1024500003 /nfs/dbraw/zinc/50/00/03/1024500003.db2.gz CAOOTUMJEGFGPL-LBPRGKRZSA-N -1 0 331.437 3.891 20 0 EHADRM Cc1cccc([C@H]2CCCN2Cc2ncc(Br)cc2[O-])n1 ZINC000892056032 1024503627 /nfs/dbraw/zinc/50/36/27/1024503627.db2.gz YWHFZMPYNBULIC-OAHLLOKOSA-N -1 0 348.244 3.590 20 0 EHADRM CC(C)Oc1ccc(CN[C@@H](C(=O)[O-])c2c(F)cccc2F)cc1 ZINC000277299085 1024515077 /nfs/dbraw/zinc/51/50/77/1024515077.db2.gz MUCXPYARJSGQMA-QGZVFWFLSA-N -1 0 335.350 3.668 20 0 EHADRM Cc1ccc(C2CC2)c(C(=O)N(C)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000425261487 1024529421 /nfs/dbraw/zinc/52/94/21/1024529421.db2.gz WGZJVQXICQHSET-UHFFFAOYSA-N -1 0 339.391 3.612 20 0 EHADRM O=S(=O)([N-]c1scnc1C1CC1)c1ccc(F)cc1Cl ZINC000536491262 1024554132 /nfs/dbraw/zinc/55/41/32/1024554132.db2.gz JQKBENJVPMXWCA-UHFFFAOYSA-N -1 0 332.809 3.614 20 0 EHADRM O=S(=O)(Cc1ccc(F)cc1)[N-]c1noc2ccc(Cl)cc21 ZINC000427634749 1024562757 /nfs/dbraw/zinc/56/27/57/1024562757.db2.gz WXLGISASPKORHQ-UHFFFAOYSA-N -1 0 340.763 3.562 20 0 EHADRM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cn(C)nc2C(C)C)cc1 ZINC000280841860 1024586837 /nfs/dbraw/zinc/58/68/37/1024586837.db2.gz ARIFPNJMBGBRQR-UHFFFAOYSA-N -1 0 335.473 3.543 20 0 EHADRM CCCCCc1nnc([N-]C(=O)c2nnc(C(C)(C)C)s2)s1 ZINC000281057536 1024603006 /nfs/dbraw/zinc/60/30/06/1024603006.db2.gz YIKPFUCHUVLWHN-UHFFFAOYSA-N -1 0 339.490 3.672 20 0 EHADRM Cn1cccc1[C@@H]1CCCN1C(=O)c1ccc2ccc(O)cc2c1O ZINC000895605676 1024664724 /nfs/dbraw/zinc/66/47/24/1024664724.db2.gz SLVZVQUPOGISAB-SFHVURJKSA-N -1 0 336.391 3.567 20 0 EHADRM COC[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)c1ccc(Cl)cc1 ZINC000192570489 1024667037 /nfs/dbraw/zinc/66/70/37/1024667037.db2.gz SACHHFJAFGFFLS-CQSZACIVSA-N -1 0 340.206 3.817 20 0 EHADRM CC(C)c1cccc(OCC(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC000327331093 1024691455 /nfs/dbraw/zinc/69/14/55/1024691455.db2.gz YHZABTBGKIUGJN-FLIBITNWSA-N -1 0 339.391 3.925 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cccc3c(C)ccnc32)c(C)c1 ZINC000548611267 1024691569 /nfs/dbraw/zinc/69/15/69/1024691569.db2.gz CPUTZZANMBVIGN-UHFFFAOYSA-N -1 0 326.421 3.961 20 0 EHADRM O=C(CCCc1ccc(O)c(F)c1)NCCCSc1ccccn1 ZINC000425301808 1024703854 /nfs/dbraw/zinc/70/38/54/1024703854.db2.gz XFFSWIRIKLWOPA-UHFFFAOYSA-N -1 0 348.443 3.548 20 0 EHADRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1noc2ccc(Cl)cc21 ZINC000427661483 1024710367 /nfs/dbraw/zinc/71/03/67/1024710367.db2.gz YTWYEYQZYKAXAT-UHFFFAOYSA-N -1 0 340.763 3.730 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)s1 ZINC000727625388 1024719597 /nfs/dbraw/zinc/71/95/97/1024719597.db2.gz QYEZIZUJUHFYMV-AAEUAGOBSA-N -1 0 343.514 3.714 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccccc2F)cc1OC(F)F ZINC000114674315 1024731277 /nfs/dbraw/zinc/73/12/77/1024731277.db2.gz MMMJACMJHFXGML-UHFFFAOYSA-N -1 0 331.315 3.536 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cnn(C(C)C)c2)cc1 ZINC000514834480 1024792701 /nfs/dbraw/zinc/79/27/01/1024792701.db2.gz DZGCDCKMVLWDPP-UHFFFAOYSA-N -1 0 335.473 3.952 20 0 EHADRM CCCCc1nc(CSc2n[n-]c(=NCCC)s2)cs1 ZINC000511045603 1024844669 /nfs/dbraw/zinc/84/46/69/1024844669.db2.gz KJTXZTQXFKGJEF-UHFFFAOYSA-N -1 0 328.532 3.873 20 0 EHADRM Cc1ccc(Cl)c2sc([N-]S(=O)(=O)CCC3CC3)nc21 ZINC000508090564 1024886050 /nfs/dbraw/zinc/88/60/50/1024886050.db2.gz XAXRGWLUDYFWHK-UHFFFAOYSA-N -1 0 330.862 3.800 20 0 EHADRM CCCCCS(=O)(=O)[N-][C@H](c1c[nH]c2ccccc12)C(F)(F)F ZINC000508093033 1024891440 /nfs/dbraw/zinc/89/14/40/1024891440.db2.gz CMVOECIZEUIBEU-CQSZACIVSA-N -1 0 348.390 3.881 20 0 EHADRM CC(C)C[C@H](C(=O)[O-])N(C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000684714981 1024906354 /nfs/dbraw/zinc/90/63/54/1024906354.db2.gz NOHDFRJHBBVAOK-GXTWGEPZSA-N -1 0 332.400 3.635 20 0 EHADRM CC(C)C[C@H](C(=O)[O-])N(C)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000684714984 1024906659 /nfs/dbraw/zinc/90/66/59/1024906659.db2.gz NOHDFRJHBBVAOK-TZMCWYRMSA-N -1 0 332.400 3.635 20 0 EHADRM COc1ccc([C@H](NC(=O)c2ccc([O-])c(Cl)c2)C2CC2)cc1 ZINC000053722286 1024954543 /nfs/dbraw/zinc/95/45/43/1024954543.db2.gz ZTOLAAFLNWAAOK-QGZVFWFLSA-N -1 0 331.799 3.935 20 0 EHADRM Cc1cc(Nc2cnc3ccc(Br)cn23)cc(C(=O)[O-])c1 ZINC001211537702 1024958834 /nfs/dbraw/zinc/95/88/34/1024958834.db2.gz WVFTUNMTPLUMER-UHFFFAOYSA-N -1 0 346.184 3.847 20 0 EHADRM Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1cc(F)cc(Cl)c1[O-])C2 ZINC000474440266 1024975071 /nfs/dbraw/zinc/97/50/71/1024975071.db2.gz XQYZPQCZTMXWPU-OAHLLOKOSA-N -1 0 335.762 3.744 20 0 EHADRM CC(C)Oc1cccc([C@H](C)NC(=O)N2CCCCC[C@H]2C(=O)[O-])c1 ZINC000684720705 1024977024 /nfs/dbraw/zinc/97/70/24/1024977024.db2.gz LJCZBBZGJJUIPT-YOEHRIQHSA-N -1 0 348.443 3.574 20 0 EHADRM CCCN(C(=O)N[C@H](C)c1cc(C)sc1C)[C@@H](CC)C(=O)[O-] ZINC000684720855 1024979659 /nfs/dbraw/zinc/97/96/59/1024979659.db2.gz MRSYZTPAIYAKHR-RISCZKNCSA-N -1 0 326.462 3.711 20 0 EHADRM CC(C)Cn1ncc([N-]S(=O)(=O)c2ccsc2)c1C(C)C ZINC000350865278 1024985876 /nfs/dbraw/zinc/98/58/76/1024985876.db2.gz AXVYIBCOWQSVOR-UHFFFAOYSA-N -1 0 327.475 3.525 20 0 EHADRM O=C([O-])CCCCC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000319552297 1024997923 /nfs/dbraw/zinc/99/79/23/1024997923.db2.gz JQUMJBJQBOZSND-KRWDZBQOSA-N -1 0 335.400 3.738 20 0 EHADRM Cc1cc(NC(=O)[C@H]2CCOc3ccccc32)cc(C(=O)[O-])c1C ZINC000324333305 1025048583 /nfs/dbraw/zinc/04/85/83/1025048583.db2.gz KSDOMUDISJHOOI-HNNXBMFYSA-N -1 0 325.364 3.506 20 0 EHADRM Cc1ccc(C(C)(C)C)cc1S([O-])=CC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000520805592 1025064467 /nfs/dbraw/zinc/06/44/67/1025064467.db2.gz MWQWVCVXJFZOAT-ZEUIUJOJSA-N -1 0 349.540 3.905 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)N[C@@H]1CCCc2sccc21)C(=O)[O-] ZINC000684729523 1025074532 /nfs/dbraw/zinc/07/45/32/1025074532.db2.gz YQTWZKZTLKWGAS-OLZOCXBDSA-N -1 0 338.473 3.704 20 0 EHADRM CC(C)(C)c1ccc(CNC(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC000262156009 1025093238 /nfs/dbraw/zinc/09/32/38/1025093238.db2.gz KACYGYUILGZOEM-UHFFFAOYSA-N -1 0 325.408 3.541 20 0 EHADRM COc1cc(C)c(NS(=O)(=O)c2cc(C)c(F)c(C)c2)cc1C ZINC000435727589 1025095333 /nfs/dbraw/zinc/09/53/33/1025095333.db2.gz ZICIXCORWNXEOU-UHFFFAOYSA-N -1 0 337.416 3.869 20 0 EHADRM COc1cc(C)c([N-]S(=O)(=O)c2c(F)cccc2Cl)cc1C ZINC000435728764 1025096463 /nfs/dbraw/zinc/09/64/63/1025096463.db2.gz QAFSEVOPUWGJDC-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM O=C([O-])C1CCC(C(=O)N[C@H](CC(F)(F)F)c2ccccc2)CC1 ZINC000435719826 1025104590 /nfs/dbraw/zinc/10/45/90/1025104590.db2.gz QYBJYLPBOGMDCI-JXQTWKCFSA-N -1 0 343.345 3.687 20 0 EHADRM O=C(C=CCc1ccc(F)cc1)N=c1nc(-c2ccccc2)[n-]s1 ZINC000474524202 1025104883 /nfs/dbraw/zinc/10/48/83/1025104883.db2.gz UXOVRGGOMIKURO-SNAWJCMRSA-N -1 0 339.395 3.808 20 0 EHADRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(C2CCC2)cn1 ZINC000515291981 1025155726 /nfs/dbraw/zinc/15/57/26/1025155726.db2.gz CEXQMKROWPYZDR-UHFFFAOYSA-N -1 0 346.452 3.775 20 0 EHADRM CCc1ccc(C(=O)N2C[C@H](c3ccccc3)OC[C@H]2C)c(O)c1 ZINC000190964606 1025197798 /nfs/dbraw/zinc/19/77/98/1025197798.db2.gz KCGYALWZXWHYSZ-AUUYWEPGSA-N -1 0 325.408 3.557 20 0 EHADRM C[C@H](C(=O)[O-])N(C)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000684747555 1025239603 /nfs/dbraw/zinc/23/96/03/1025239603.db2.gz UGXHKVWUUGCROE-LLVKDONJSA-N -1 0 332.331 3.555 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 ZINC000684750258 1025271318 /nfs/dbraw/zinc/27/13/18/1025271318.db2.gz WNUASCPAFCAICD-UHFFFAOYSA-N -1 0 347.415 3.743 20 0 EHADRM CCCc1c(C(=O)Nc2nc(C)ccc2O)cnn1C1CCCC1 ZINC000544345448 1025326141 /nfs/dbraw/zinc/32/61/41/1025326141.db2.gz NRJFBOJLLVFOGC-UHFFFAOYSA-N -1 0 328.416 3.612 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1occc1-c1ccc(F)cc1)C(=O)[O-] ZINC000191029504 1025360303 /nfs/dbraw/zinc/36/03/03/1025360303.db2.gz IUHSQQPMNJTLAN-CYBMUJFWSA-N -1 0 333.359 3.562 20 0 EHADRM CC(C)CCOCCSc1n[n-]c(=Nc2ccccc2F)s1 ZINC000515598236 1025392967 /nfs/dbraw/zinc/39/29/67/1025392967.db2.gz JIKPKVQMVJRCRZ-UHFFFAOYSA-N -1 0 341.477 3.998 20 0 EHADRM C/C(=C/C(C)(C)C)C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000588507383 1025395861 /nfs/dbraw/zinc/39/58/61/1025395861.db2.gz XGTZLJBEMQIAQO-SEYXRHQNSA-N -1 0 331.437 3.637 20 0 EHADRM Cc1ccc(C[C@H]2CCCN(C(=O)C3CCC(C(=O)[O-])CC3)C2)cc1 ZINC000684771386 1025414060 /nfs/dbraw/zinc/41/40/60/1025414060.db2.gz PNQCABQICOVMDH-LMDPOFIKSA-N -1 0 343.467 3.667 20 0 EHADRM CO[C@@H](C)c1nc(=NC(=O)C[C@H](C)c2ccc(C(C)C)cc2)s[n-]1 ZINC000511084697 1025449337 /nfs/dbraw/zinc/44/93/37/1025449337.db2.gz GFJHFQFVZIEXOV-STQMWFEESA-N -1 0 347.484 3.923 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)CCC(=O)c1csc2ccccc12 ZINC000442745904 1025462254 /nfs/dbraw/zinc/46/22/54/1025462254.db2.gz QIGLPTZOCJIYCN-GFCCVEGCSA-N -1 0 347.436 3.576 20 0 EHADRM Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C(=O)Nc1cccc(C)c1C ZINC000505775357 1025474400 /nfs/dbraw/zinc/47/44/00/1025474400.db2.gz ANGKINKPKXRYCN-LJQANCHMSA-N -1 0 349.434 3.898 20 0 EHADRM Cc1ccc(-c2cccnc2)cc1[N-]S(=O)(=O)c1ccccc1F ZINC000373508831 1025494180 /nfs/dbraw/zinc/49/41/80/1025494180.db2.gz IZLJWXBCHADKLF-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM Cc1cc(S(=O)(=O)Nc2ccc3ccoc3c2)cc(C(=O)[O-])c1C ZINC000442821126 1025516348 /nfs/dbraw/zinc/51/63/48/1025516348.db2.gz AZNIPVKIVYQCLW-UHFFFAOYSA-N -1 0 345.376 3.549 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N[C@H]2C[C@H](c3ccccc3F)C2)s1 ZINC000436264012 1025524332 /nfs/dbraw/zinc/52/43/32/1025524332.db2.gz UTFGROVHLVPGDX-HAQNSBGRSA-N -1 0 348.447 3.509 20 0 EHADRM Cn1cnc(S(=O)(=O)[N-]c2ccc(Cl)cc2-c2ccccc2)c1 ZINC000442836772 1025524753 /nfs/dbraw/zinc/52/47/53/1025524753.db2.gz IIQFTZLZQUNPOB-UHFFFAOYSA-N -1 0 347.827 3.541 20 0 EHADRM O=C(N=c1[n-]nc(C2CC2)s1)N1CCC[C@H]1CCC1CCCC1 ZINC000574579882 1033290110 /nfs/dbraw/zinc/29/01/10/1033290110.db2.gz ZEXYLQFZNFQWAM-AWEZNQCLSA-N -1 0 334.489 3.804 20 0 EHADRM O=C([O-])CN(Cc1ccccc1)C(=O)CCCCCc1cccs1 ZINC000347355544 1025554922 /nfs/dbraw/zinc/55/49/22/1025554922.db2.gz BSIXEROMPXHJLA-UHFFFAOYSA-N -1 0 345.464 3.964 20 0 EHADRM COc1ccc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1C1CC1 ZINC000909493178 1025586494 /nfs/dbraw/zinc/58/64/94/1025586494.db2.gz ZNOJRIOMHZXOIG-HNNXBMFYSA-N -1 0 345.439 3.536 20 0 EHADRM Clc1cccc(-c2noc(NCc3nc4c(s3)COCC4)n2)c1 ZINC000896543872 1025587004 /nfs/dbraw/zinc/58/70/04/1025587004.db2.gz SRZMCGALKJFQRH-UHFFFAOYSA-N -1 0 348.815 3.531 20 0 EHADRM COc1ccc(-n2cc([O-])c(C(=O)Nc3ccc4ccoc4c3)n2)cc1 ZINC000442922120 1025599734 /nfs/dbraw/zinc/59/97/34/1025599734.db2.gz KTESFOFHTCVQSP-UHFFFAOYSA-N -1 0 349.346 3.585 20 0 EHADRM Cc1cc(C)cc(C2=CCN(C(=O)N=c3ccc(C4CC4)n[n-]3)CC2)c1 ZINC000329107336 1025605647 /nfs/dbraw/zinc/60/56/47/1025605647.db2.gz PBUVWHAFWOCATJ-UHFFFAOYSA-N -1 0 348.450 3.714 20 0 EHADRM CC(C)C[C@@H](NC(=O)NC[C@@H](C(=O)[O-])C1CCC1)c1cccs1 ZINC000665301638 1025638386 /nfs/dbraw/zinc/63/83/86/1025638386.db2.gz CARLESZLQCBCRI-ZIAGYGMSSA-N -1 0 338.473 3.635 20 0 EHADRM O=C([O-])CN(Cc1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000521747424 1025648434 /nfs/dbraw/zinc/64/84/34/1025648434.db2.gz KOCYARFBKWQFFZ-UHFFFAOYSA-N -1 0 336.750 3.598 20 0 EHADRM COC[C@H](N=c1nc(-c2ccccc2)o[n-]1)c1cccc(Cl)c1 ZINC000515906494 1025733670 /nfs/dbraw/zinc/73/36/70/1025733670.db2.gz UJUYPKNYVCFMKQ-HNNXBMFYSA-N -1 0 329.787 3.612 20 0 EHADRM CCCC[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000347256187 1025763650 /nfs/dbraw/zinc/76/36/50/1025763650.db2.gz GDECTHBDFHWONS-MCIONIFRSA-N -1 0 343.345 3.569 20 0 EHADRM CCCC[C@H](NC(=O)[C@@H](CC)Oc1ccccc1C(C)C)C(=O)[O-] ZINC000347268422 1025774670 /nfs/dbraw/zinc/77/46/70/1025774670.db2.gz QFHDVAOKOMMWLV-JKSUJKDBSA-N -1 0 335.444 3.727 20 0 EHADRM CCCN(Cc1ccccc1)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000216178596 1025820801 /nfs/dbraw/zinc/82/08/01/1025820801.db2.gz CFZMZRJNRYRZPI-UHFFFAOYSA-N -1 0 335.407 3.630 20 0 EHADRM C[C@@H](NC(=O)NC[C@H](C(=O)[O-])C1CCC1)c1cc2ccccc2s1 ZINC000665310181 1025821341 /nfs/dbraw/zinc/82/13/41/1025821341.db2.gz KIZNBDYHRPLZGJ-RISCZKNCSA-N -1 0 346.452 3.762 20 0 EHADRM O=C(NCCc1cc2ccccc2s1)c1cc(F)c([O-])c(F)c1 ZINC000436528797 1025830539 /nfs/dbraw/zinc/83/05/39/1025830539.db2.gz PMEFMXOCJHQCOE-UHFFFAOYSA-N -1 0 333.359 3.858 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)c2cc3ccc(Cl)cc3[nH]2)s1 ZINC000515990682 1025843634 /nfs/dbraw/zinc/84/36/34/1025843634.db2.gz YCDIZEUYWBNEMY-UHFFFAOYSA-N -1 0 334.832 3.645 20 0 EHADRM O=C(Nc1nc2ccccc2n1C1CCCC1)C(=O)c1ccc(O)cc1 ZINC000436518129 1025847251 /nfs/dbraw/zinc/84/72/51/1025847251.db2.gz XDOOMZAKXDVFMO-UHFFFAOYSA-N -1 0 349.390 3.678 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCO[C@H]2CCC[C@H]21 ZINC000436549228 1025855199 /nfs/dbraw/zinc/85/51/99/1025855199.db2.gz VKSCBQZGWJEYDR-CVEARBPZSA-N -1 0 331.799 3.592 20 0 EHADRM O=C(c1cc(Br)c(F)cc1[O-])N1CC(C2CCCC2)C1 ZINC000451362065 1025871452 /nfs/dbraw/zinc/87/14/52/1025871452.db2.gz PJJSSFZAPGPTGI-UHFFFAOYSA-N -1 0 342.208 3.556 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(Br)cc2[O-])c2ccccc2O1 ZINC000436543418 1025874472 /nfs/dbraw/zinc/87/44/72/1025874472.db2.gz LEHAWKZVOXYQOY-JTQLQIEISA-N -1 0 348.196 3.582 20 0 EHADRM COc1ccc2cc(NC(=O)c3ccc([O-])c(Cl)c3)ccc2n1 ZINC000436567875 1025895828 /nfs/dbraw/zinc/89/58/28/1025895828.db2.gz YUYJYERAUPMDEV-UHFFFAOYSA-N -1 0 328.755 3.855 20 0 EHADRM O=C(NCc1nc2ccccc2o1)c1c([O-])cc(Cl)cc1Cl ZINC000436579920 1025919410 /nfs/dbraw/zinc/91/94/10/1025919410.db2.gz VUPRWUVUEJCFNQ-UHFFFAOYSA-N -1 0 337.162 3.770 20 0 EHADRM CC(C)(C)OC(=O)CCCNC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000436590346 1025929710 /nfs/dbraw/zinc/92/97/10/1025929710.db2.gz SRNJGYIPZARNOO-UHFFFAOYSA-N -1 0 348.226 3.551 20 0 EHADRM CCO[C@H]1C[C@@H](NC(=O)c2ccc([O-])c(Cl)c2)C12CCCCC2 ZINC000436637964 1025967417 /nfs/dbraw/zinc/96/74/17/1025967417.db2.gz DAHMBNCDNQHJSB-CVEARBPZSA-N -1 0 337.847 3.903 20 0 EHADRM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000262293508 1025983017 /nfs/dbraw/zinc/98/30/17/1025983017.db2.gz WIEGJQRJRPJIOX-FHWLQOOXSA-N -1 0 335.403 3.679 20 0 EHADRM C[C@@H]1COCC[C@H]1CNC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436656417 1025987300 /nfs/dbraw/zinc/98/73/00/1025987300.db2.gz QAJWSGJTPARECE-NEPJUHHUSA-N -1 0 333.815 3.601 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CCC(=O)c2cccs2)c1 ZINC000436645406 1025993501 /nfs/dbraw/zinc/99/35/01/1025993501.db2.gz LZDGSIKSDSQQAV-UHFFFAOYSA-N -1 0 331.393 3.648 20 0 EHADRM CC1(C)Cc2cccc(NC(=O)CC3(CC(=O)[O-])CCCC3)c2O1 ZINC000530540861 1025994301 /nfs/dbraw/zinc/99/43/01/1025994301.db2.gz HRQCMRMIMGMJAT-UHFFFAOYSA-N -1 0 331.412 3.764 20 0 EHADRM CCOCc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000516097951 1025995783 /nfs/dbraw/zinc/99/57/83/1025995783.db2.gz CVLAISRULGRDDN-UHFFFAOYSA-N -1 0 343.807 3.816 20 0 EHADRM CCOC(=O)c1nc(Cl)sc1Nc1cc(C)cc(C(=O)[O-])c1 ZINC001211543233 1026002059 /nfs/dbraw/zinc/00/20/59/1026002059.db2.gz ZQBOZPCRUQWFBJ-UHFFFAOYSA-N -1 0 340.788 3.723 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H]2Cc3cc(C)c(C)cc3O2)c1 ZINC000436659435 1026018906 /nfs/dbraw/zinc/01/89/06/1026018906.db2.gz RDKHQJFUIBDZAS-LJQANCHMSA-N -1 0 339.391 3.544 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)COc2cccc(Cl)c2C)c1 ZINC000436660526 1026020645 /nfs/dbraw/zinc/02/06/45/1026020645.db2.gz VVDCASWJBCVSDM-UHFFFAOYSA-N -1 0 347.798 3.964 20 0 EHADRM O=C([O-])c1cnc(-c2ccccc2)nc1/C=C\c1ccn(C(F)F)n1 ZINC000443439755 1026044192 /nfs/dbraw/zinc/04/41/92/1026044192.db2.gz HPJXZFYGODBRNP-SREVYHEPSA-N -1 0 342.305 3.604 20 0 EHADRM CC(C)Cn1cc(/C=C/c2nc(-c3ccccc3)ncc2C(=O)[O-])cn1 ZINC000443445935 1026052853 /nfs/dbraw/zinc/05/28/53/1026052853.db2.gz RZKZXWYMEZQYTE-CMDGGOBGSA-N -1 0 348.406 3.865 20 0 EHADRM Cc1cccc(C(=O)Nc2cc(Br)cc(Cl)c2[O-])n1 ZINC000436696946 1026055373 /nfs/dbraw/zinc/05/53/73/1026055373.db2.gz IPYIZEIQAXZPKX-UHFFFAOYSA-N -1 0 341.592 3.764 20 0 EHADRM O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1ccccc1O ZINC000436729871 1026118666 /nfs/dbraw/zinc/11/86/66/1026118666.db2.gz TZVNJFFVBGVUCW-ZDUSSCGKSA-N -1 0 327.277 3.955 20 0 EHADRM O=C(Nc1nncn1-c1ccccc1)c1c([O-])cc(Cl)cc1Cl ZINC000436733288 1026125650 /nfs/dbraw/zinc/12/56/50/1026125650.db2.gz VQHLEMWJPRZRMP-UHFFFAOYSA-N -1 0 349.177 3.532 20 0 EHADRM Cc1ccn(-c2ccc(NC(=O)c3ccc([O-])c(Cl)c3)cc2)n1 ZINC000436734037 1026125957 /nfs/dbraw/zinc/12/59/57/1026125957.db2.gz JPDCHDFGTPYOLX-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM C[C@H]1COCCN1C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436760045 1026130589 /nfs/dbraw/zinc/13/05/89/1026130589.db2.gz KZGRNYLXICFMED-LBPRGKRZSA-N -1 0 331.799 3.574 20 0 EHADRM COc1cccc(N=c2[n-]nc(C3CCC3)n2Cc2ccccc2)c1 ZINC000516221934 1026133015 /nfs/dbraw/zinc/13/30/15/1026133015.db2.gz AZERRZTYKAJNSM-UHFFFAOYSA-N -1 0 334.423 3.768 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N(C)[C@H](C)C(=O)[O-])c(F)c2)cc1C ZINC000342541098 1026192444 /nfs/dbraw/zinc/19/24/44/1026192444.db2.gz FLHQCCFPBCHCLG-CYBMUJFWSA-N -1 0 329.371 3.655 20 0 EHADRM O=S(=O)([N-][C@H]1CCCC[C@H]1CC(F)(F)F)c1sccc1F ZINC000451719410 1026252788 /nfs/dbraw/zinc/25/27/88/1026252788.db2.gz JLYBJGYZOZGBNY-WPRPVWTQSA-N -1 0 345.383 3.677 20 0 EHADRM CC(=O)Nc1ccc(C)c(C(=O)Nc2cc(F)cc(Cl)c2[O-])c1 ZINC000444327702 1026290578 /nfs/dbraw/zinc/29/05/78/1026290578.db2.gz GQQZMVQYOIMEBW-UHFFFAOYSA-N -1 0 336.750 3.704 20 0 EHADRM C[C@H]1CCC[C@H](N(C)C(=O)N=c2nc(-c3ccccc3)[n-]s2)C1 ZINC000530865302 1026366594 /nfs/dbraw/zinc/36/65/94/1026366594.db2.gz XAUBWXUNERBISY-JSGCOSHPSA-N -1 0 330.457 3.669 20 0 EHADRM CCn1nc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1C1CC1 ZINC000530924401 1026404207 /nfs/dbraw/zinc/40/42/07/1026404207.db2.gz JFTHTJCEKMTVAW-UHFFFAOYSA-N -1 0 333.457 3.506 20 0 EHADRM C[C@@H](NC(=O)N1CCCC[C@@H]1C(=O)[O-])c1cccc(Cl)c1Cl ZINC000521488411 1026447570 /nfs/dbraw/zinc/44/75/70/1026447570.db2.gz AFUIINMIMFCVOA-BXKDBHETSA-N -1 0 345.226 3.703 20 0 EHADRM CC(C)c1nc2cc(NC(=O)N3CC[C@@H](C)C[C@H]3C(=O)[O-])ccc2o1 ZINC000582524738 1026497941 /nfs/dbraw/zinc/49/79/41/1026497941.db2.gz UWCUUEJIDLXWNC-RISCZKNCSA-N -1 0 345.399 3.668 20 0 EHADRM CCO[C@@H](CC(=O)N[C@@H](CCC(=O)[O-])c1ccccc1)C1=CCCC1 ZINC000431438687 1026504222 /nfs/dbraw/zinc/50/42/22/1026504222.db2.gz NHBBJSBFMSNMRV-ROUUACIJSA-N -1 0 345.439 3.614 20 0 EHADRM CCN(c1cccc(C)c1)S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000325010914 1026524099 /nfs/dbraw/zinc/52/40/99/1026524099.db2.gz BZQGMACFHPCATQ-UHFFFAOYSA-N -1 0 347.436 3.525 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000262099023 1026526174 /nfs/dbraw/zinc/52/61/74/1026526174.db2.gz DFYQZQBBLCJOBQ-SFHVURJKSA-N -1 0 341.382 3.820 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCC[C@@](C)(F)C3)n2)c1 ZINC000452195880 1026566346 /nfs/dbraw/zinc/56/63/46/1026566346.db2.gz PHZRFWPUMWSIGT-LJQANCHMSA-N -1 0 345.418 3.666 20 0 EHADRM O=C([O-])C1(CC(=O)NCc2ccc(Oc3ccccc3)cc2)CCC1 ZINC000262488108 1026593679 /nfs/dbraw/zinc/59/36/79/1026593679.db2.gz IWNFMRBQLFXNDV-UHFFFAOYSA-N -1 0 339.391 3.740 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)[C@H]1CCOC2(CCC2)C1 ZINC000897272211 1026636396 /nfs/dbraw/zinc/63/63/96/1026636396.db2.gz ACSVZTGIEOMKIM-VIFPVBQESA-N -1 0 330.211 3.987 20 0 EHADRM CCn1nc([N-]S(=O)(=O)c2ccc(C)cc2Cl)cc1C1CC1 ZINC000531162835 1026636908 /nfs/dbraw/zinc/63/69/08/1026636908.db2.gz BERWJDJONZNJCU-UHFFFAOYSA-N -1 0 339.848 3.543 20 0 EHADRM CC[C@@H](C)CN(C)C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000531221587 1026702975 /nfs/dbraw/zinc/70/29/75/1026702975.db2.gz GLTWIAPREDUXFH-CQSZACIVSA-N -1 0 329.444 3.819 20 0 EHADRM C[C@@H]([N-]c1nc(-c2cccc(Cl)c2)no1)C(=O)N1CCCC[C@@H]1C ZINC000301249529 1026738114 /nfs/dbraw/zinc/73/81/14/1026738114.db2.gz CPVRFBIEAYTMEF-NWDGAFQWSA-N -1 0 348.834 3.591 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c(C)n1 ZINC000531278093 1026748413 /nfs/dbraw/zinc/74/84/13/1026748413.db2.gz MHHIUNJOIWWNOH-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM COc1cccc(-c2noc([N-][C@@H](C)c3nc4ccccc4[nH]3)n2)c1 ZINC000301372900 1026781206 /nfs/dbraw/zinc/78/12/06/1026781206.db2.gz QEBDFIQQXJFYII-NSHDSACASA-N -1 0 335.367 3.795 20 0 EHADRM CC(C)C[C@]1(C)CCCN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000452509146 1026783759 /nfs/dbraw/zinc/78/37/59/1026783759.db2.gz HVONJUAATMUQIB-IBGZPJMESA-N -1 0 327.428 3.619 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N(CCC(=O)[O-])CC(C)C)c1 ZINC000237278124 1026814783 /nfs/dbraw/zinc/81/47/83/1026814783.db2.gz FHMUMKBCPSXXEL-UHFFFAOYSA-N -1 0 329.849 3.635 20 0 EHADRM O=C(NCCCCn1ccnc1)c1cc(Cl)c2ccccc2c1[O-] ZINC000531355436 1026824518 /nfs/dbraw/zinc/82/45/18/1026824518.db2.gz MGQVYFHNOLAAAB-UHFFFAOYSA-N -1 0 343.814 3.606 20 0 EHADRM COCCc1nc(=N[C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)s[n-]1 ZINC000413513810 1026874798 /nfs/dbraw/zinc/87/47/98/1026874798.db2.gz IXVVMJUUAJDSLF-TZMCWYRMSA-N -1 0 337.876 3.551 20 0 EHADRM Cn1c(CCCN=c2[n-]nc(-c3ccccc3)s2)nc2ccccc21 ZINC000531433325 1026905350 /nfs/dbraw/zinc/90/53/50/1026905350.db2.gz WHEQEDRKFSXPNF-UHFFFAOYSA-N -1 0 349.463 3.558 20 0 EHADRM COc1c(C(=O)[O-])sc(C)c1-c1ccc(C(F)(F)F)nc1OC ZINC000563436921 1026945465 /nfs/dbraw/zinc/94/54/65/1026945465.db2.gz AGSHNBHHAHZBDO-UHFFFAOYSA-N -1 0 347.314 3.853 20 0 EHADRM CC(C)Cc1nc(=N[C@@H](C)c2ccccc2OC(F)F)s[n-]1 ZINC000475452597 1026995641 /nfs/dbraw/zinc/99/56/41/1026995641.db2.gz NTVOVSRKJLFNPP-JTQLQIEISA-N -1 0 327.400 3.933 20 0 EHADRM O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)c1cccc(F)c1[O-] ZINC001126406750 1027239930 /nfs/dbraw/zinc/23/99/30/1027239930.db2.gz QTUVXTKKDYWZPO-LBPRGKRZSA-N -1 0 348.805 3.584 20 0 EHADRM CCCc1n[n-]c(=NCc2cnc(-c3ccccc3F)s2)s1 ZINC000453049656 1027272375 /nfs/dbraw/zinc/27/23/75/1027272375.db2.gz ZQHCEVWEQOFRNX-UHFFFAOYSA-N -1 0 334.445 3.787 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])NC(=O)[C@@H](C)CC2CCCCC2)c1 ZINC000531749282 1027305894 /nfs/dbraw/zinc/30/58/94/1027305894.db2.gz QAVVFUSMTHHLIL-KBXCAEBGSA-N -1 0 347.455 3.934 20 0 EHADRM Cc1noc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)c1C ZINC000531760249 1027328138 /nfs/dbraw/zinc/32/81/38/1027328138.db2.gz WTVMRCKDWPIPBU-UHFFFAOYSA-N -1 0 340.404 3.663 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2cccc(OC3CCCCC3)c2)C1 ZINC000414446322 1027412518 /nfs/dbraw/zinc/41/25/18/1027412518.db2.gz YGLWRSICVMWLSO-HXUWFJFHSA-N -1 0 345.439 3.725 20 0 EHADRM CCCCCN(C(C)C)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000314729104 1027426067 /nfs/dbraw/zinc/42/60/67/1027426067.db2.gz QHMQFCUSIBVUBJ-UHFFFAOYSA-N -1 0 347.864 3.628 20 0 EHADRM CCCN(CCc1ccccn1)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000277873290 1027538016 /nfs/dbraw/zinc/53/80/16/1027538016.db2.gz BAAYBXCOPRQABN-UHFFFAOYSA-N -1 0 336.794 3.675 20 0 EHADRM CC(C)(CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)C(=O)[O-] ZINC000320938546 1027605481 /nfs/dbraw/zinc/60/54/81/1027605481.db2.gz IBPGLXQRKYQIAD-OAHLLOKOSA-N -1 0 335.400 3.594 20 0 EHADRM COC[C@H](N=c1nc(C2CCCC2)[n-]s1)c1ccc(F)c(F)c1 ZINC000420597581 1027647352 /nfs/dbraw/zinc/64/73/52/1027647352.db2.gz BEPKZCVENBDVMQ-AWEZNQCLSA-N -1 0 339.411 3.695 20 0 EHADRM C[C@H](N=c1nc(C2CCCC2)[n-]s1)[C@@H]1OCCc2sccc21 ZINC000420637821 1027673492 /nfs/dbraw/zinc/67/34/92/1027673492.db2.gz ODWGRZAXSULQCT-HZMBPMFUSA-N -1 0 335.498 3.794 20 0 EHADRM CCc1csc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 ZINC000414468168 1027705319 /nfs/dbraw/zinc/70/53/19/1027705319.db2.gz FSMHHJYCSNUNRV-UHFFFAOYSA-N -1 0 336.360 3.525 20 0 EHADRM Cc1cc(C(=O)Nc2cc(Br)cc(Cl)c2[O-])ccn1 ZINC000564408312 1027713246 /nfs/dbraw/zinc/71/32/46/1027713246.db2.gz MUINPKTUNUJGBN-UHFFFAOYSA-N -1 0 341.592 3.764 20 0 EHADRM CCSc1n[n-]c(=NC(=O)c2occc2-c2ccc(F)cc2)s1 ZINC000503335066 1027730586 /nfs/dbraw/zinc/73/05/86/1027730586.db2.gz HZXLXVGRBJSXPE-UHFFFAOYSA-N -1 0 349.412 3.723 20 0 EHADRM C[C@H]1CCN(C(=O)Cc2ccccc2C(=O)[O-])[C@H]1c1cccc(F)c1 ZINC000262185415 1027739298 /nfs/dbraw/zinc/73/92/98/1027739298.db2.gz QLUQPTHLHLPOHY-ORAYPTAESA-N -1 0 341.382 3.676 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)CCc1ccc(-c2ccccc2)o1 ZINC000422579660 1027807539 /nfs/dbraw/zinc/80/75/39/1027807539.db2.gz HYZBECGJGHCHDI-RHSMWYFYSA-N -1 0 341.407 3.591 20 0 EHADRM O=S(=O)(NC[C@H]1CCCC(F)(F)C1)c1cc2ccccc2o1 ZINC000548773767 1027830031 /nfs/dbraw/zinc/83/00/31/1027830031.db2.gz RHWODZKQJBTDOC-NSHDSACASA-N -1 0 329.368 3.537 20 0 EHADRM CCCC[C@@H](C)N(CCCC)C(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000422646247 1027841135 /nfs/dbraw/zinc/84/11/35/1027841135.db2.gz YMDKPVKVLOGURV-CQSZACIVSA-N -1 0 348.443 3.531 20 0 EHADRM Cc1ccc([C@H](NC(=O)CCc2ccccc2C(=O)[O-])C2CC2)cc1 ZINC000262188342 1027844334 /nfs/dbraw/zinc/84/43/34/1027844334.db2.gz NEUXTKZTVCHURW-FQEVSTJZSA-N -1 0 337.419 3.893 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)c2cc3c(s2)CCC3)s[n-]1 ZINC000472267173 1027894429 /nfs/dbraw/zinc/89/44/29/1027894429.db2.gz CAPRMQYPAYDVFX-UHFFFAOYSA-N -1 0 347.490 3.799 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1C(=O)[O-] ZINC000582846206 1027981029 /nfs/dbraw/zinc/98/10/29/1027981029.db2.gz WVPTVFUYQZBRMV-SCZZXKLOSA-N -1 0 331.199 3.568 20 0 EHADRM CCc1nc(CC(=O)Nc2ccc(O)c(C(F)(F)F)c2)cs1 ZINC000134184486 1028099028 /nfs/dbraw/zinc/09/90/28/1028099028.db2.gz ZEQADCXSUKVUAL-UHFFFAOYSA-N -1 0 330.331 3.611 20 0 EHADRM COc1ccc(Cl)cc1CC(=O)Nc1ccc(Cl)cc1O ZINC000533618837 1028162396 /nfs/dbraw/zinc/16/23/96/1028162396.db2.gz KFWAGHCAOYUAEH-UHFFFAOYSA-N -1 0 326.179 3.889 20 0 EHADRM NC(=O)c1oc2ccccc2c1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211960969 1028192291 /nfs/dbraw/zinc/19/22/91/1028192291.db2.gz QCNMSGQNAUJZOL-UHFFFAOYSA-N -1 0 330.727 3.627 20 0 EHADRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000614852355 1028211616 /nfs/dbraw/zinc/21/16/16/1028211616.db2.gz MFYAQCKJIQDDEX-UHFFFAOYSA-N -1 0 343.807 3.987 20 0 EHADRM CSc1ccccc1C(=O)N=c1cc(-c2cc(C)ccc2F)[nH][nH]1 ZINC000444812515 1028317481 /nfs/dbraw/zinc/31/74/81/1028317481.db2.gz KYAYHBBVZGKQCX-UHFFFAOYSA-N -1 0 341.411 3.920 20 0 EHADRM Cc1cc(C(=O)N(C)C)ccc1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211967261 1028338652 /nfs/dbraw/zinc/33/86/52/1028338652.db2.gz YTQDPGLHKBHPFX-UHFFFAOYSA-N -1 0 332.787 3.792 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](SCC)C(C)C)cc1 ZINC000067599901 1028342397 /nfs/dbraw/zinc/34/23/97/1028342397.db2.gz MUDYWRFQIUGXNP-AWEZNQCLSA-N -1 0 345.486 3.508 20 0 EHADRM Cc1ccccc1C[C@@H](C)N(C)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000444901241 1028382875 /nfs/dbraw/zinc/38/28/75/1028382875.db2.gz UKWCPXNMRFFVBB-CYBMUJFWSA-N -1 0 346.500 3.661 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000193640627 1028454424 /nfs/dbraw/zinc/45/44/24/1028454424.db2.gz AOBBCRRUJKZHOI-UHFFFAOYSA-N -1 0 329.783 3.681 20 0 EHADRM Cc1cc(C)c(NC(=O)[C@@H]2CCC[C@@H]2C(=O)[O-])cc1Br ZINC000634829629 1028458535 /nfs/dbraw/zinc/45/85/35/1028458535.db2.gz CAJKOZRFFBHCKA-MNOVXSKESA-N -1 0 340.217 3.505 20 0 EHADRM O=S(=O)([N-]c1cccc2c[nH]nc21)c1cc(Cl)sc1Cl ZINC000025463918 1028465728 /nfs/dbraw/zinc/46/57/28/1028465728.db2.gz DUAOZLKIQASJNY-UHFFFAOYSA-N -1 0 348.236 3.732 20 0 EHADRM CCc1sc(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)cc1C ZINC000322095787 1028527823 /nfs/dbraw/zinc/52/78/23/1028527823.db2.gz IFHQHCLQJZPGKW-UHFFFAOYSA-N -1 0 329.421 3.516 20 0 EHADRM C[C@@]1(CNC(=O)CC2CCC(C(=O)[O-])CC2)CCCc2ccccc21 ZINC000563537450 1028566071 /nfs/dbraw/zinc/56/60/71/1028566071.db2.gz MHTAEGVSYIMSAY-GRXDXKALSA-N -1 0 343.467 3.678 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000236835642 1028591083 /nfs/dbraw/zinc/59/10/83/1028591083.db2.gz JERGZVWCSWAVQI-QWHCGFSZSA-N -1 0 343.345 3.569 20 0 EHADRM CCOc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2C)ccc1C ZINC000236895935 1028592666 /nfs/dbraw/zinc/59/26/66/1028592666.db2.gz MLUXOMVYAORQBV-QGZVFWFLSA-N -1 0 341.407 3.648 20 0 EHADRM Cn1cnc2cc(-c3noc(-c4ccc([O-])c(Cl)c4)n3)ccc21 ZINC000445233101 1028625069 /nfs/dbraw/zinc/62/50/69/1028625069.db2.gz XSPVSTJILBBYCR-UHFFFAOYSA-N -1 0 326.743 3.649 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])o1)c1ccc(Cl)c(Cl)c1 ZINC000237600214 1028657028 /nfs/dbraw/zinc/65/70/28/1028657028.db2.gz AIGATQVXFQUQEF-ZETCQYMHSA-N -1 0 328.151 3.776 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])c(C)o1 ZINC000237569430 1028657130 /nfs/dbraw/zinc/65/71/30/1028657130.db2.gz BJEXYPNORHMIEI-YPMHNXCESA-N -1 0 347.436 3.953 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)c3cccc(C(=O)[O-])c3)c2)oc1C ZINC000237825487 1028666633 /nfs/dbraw/zinc/66/66/33/1028666633.db2.gz SPYTWRRLDNFBQQ-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cc(Cl)cc3cccnc32)c1 ZINC000238225865 1028681503 /nfs/dbraw/zinc/68/15/03/1028681503.db2.gz FZBNLGKKSUOLAO-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM CCC(CC)(CC(=O)NCC(F)(F)c1ccc(Cl)cc1)C(=O)[O-] ZINC000504490008 1028688147 /nfs/dbraw/zinc/68/81/47/1028688147.db2.gz SPBMHIBSLZVWGA-UHFFFAOYSA-N -1 0 347.789 3.829 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cc(-c3cccc(F)c3)on2)cc1 ZINC000583064418 1028730700 /nfs/dbraw/zinc/73/07/00/1028730700.db2.gz HZOFUIJRJQHRSB-UHFFFAOYSA-N -1 0 346.383 3.844 20 0 EHADRM Cc1cc(C)c(C(=O)CCCC(=O)NCCC(C)(C)C(=O)[O-])c(C)c1 ZINC000424224578 1028895646 /nfs/dbraw/zinc/89/56/46/1028895646.db2.gz BIZDLPVGFOZFEM-UHFFFAOYSA-N -1 0 347.455 3.582 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)CCCCC1 ZINC000634847284 1028937499 /nfs/dbraw/zinc/93/74/99/1028937499.db2.gz DLYWQVOBEKXIJX-HYVNUMGLSA-N -1 0 347.842 3.520 20 0 EHADRM [O-]c1cc(Cl)ccc1-c1nc(CCc2ccc3c(c2)CCO3)no1 ZINC000445586576 1028947358 /nfs/dbraw/zinc/94/73/58/1028947358.db2.gz CSBKBAJFPKWFFQ-UHFFFAOYSA-N -1 0 342.782 3.816 20 0 EHADRM Cc1nc(-c2ccc(CN=c3[n-]nc(C4CC4)s3)s2)cs1 ZINC000532883860 1028992096 /nfs/dbraw/zinc/99/20/96/1028992096.db2.gz UYPPHHAYHXYRKZ-UHFFFAOYSA-N -1 0 334.495 3.943 20 0 EHADRM COc1cc(C(=O)Nc2cccc3cccnc32)cc(Cl)c1O ZINC000343075205 1028998521 /nfs/dbraw/zinc/99/85/21/1028998521.db2.gz YUQRLXPKVJFIDD-UHFFFAOYSA-N -1 0 328.755 3.855 20 0 EHADRM CC(C)(C)[C@H](NC(=O)NCCC(C)(C)C(=O)[O-])c1ccc(F)cc1 ZINC000424398698 1029049757 /nfs/dbraw/zinc/04/97/57/1029049757.db2.gz VWMFNMNMTYZPHI-CQSZACIVSA-N -1 0 338.423 3.713 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N(C)Cc1csc2ccccc12)C(=O)[O-] ZINC000424425476 1029052772 /nfs/dbraw/zinc/05/27/72/1029052772.db2.gz QRCDBHUWPSULAN-ZDUSSCGKSA-N -1 0 348.468 3.790 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)NC[C@H](CC(C)C)C(=O)[O-])s1 ZINC000424429244 1029071174 /nfs/dbraw/zinc/07/11/74/1029071174.db2.gz ZINYTPRBVPXGOL-KBPBESRZSA-N -1 0 338.473 3.650 20 0 EHADRM CCCCOc1ccccc1[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000614889040 1029075517 /nfs/dbraw/zinc/07/55/17/1029075517.db2.gz XJDARYNNYMSPPE-UHFFFAOYSA-N -1 0 335.425 3.675 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000077589175 1029132404 /nfs/dbraw/zinc/13/24/04/1029132404.db2.gz GYUONIQHIHFVCG-CYBMUJFWSA-N -1 0 329.396 3.954 20 0 EHADRM CC[C@](C)(CC(=O)[O-])C(=O)N1CCC(Oc2cc(C)ccc2C)CC1 ZINC000634870521 1029193339 /nfs/dbraw/zinc/19/33/39/1029193339.db2.gz MQDHZZSPHFHCCC-HXUWFJFHSA-N -1 0 347.455 3.564 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)N2CC3(CCC3)[C@@H]2c2ccco2)s[n-]1 ZINC000454718415 1029226323 /nfs/dbraw/zinc/22/63/23/1029226323.db2.gz ZFFKJCZIAUTOJV-LBPRGKRZSA-N -1 0 346.456 3.610 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cc(C)oc2C)c(C(F)(F)F)c1 ZINC000271940512 1029238488 /nfs/dbraw/zinc/23/84/88/1029238488.db2.gz YSIUWEOBPUMFTG-UHFFFAOYSA-N -1 0 349.330 3.725 20 0 EHADRM C/C=C(/CC)C(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000588569895 1029316260 /nfs/dbraw/zinc/31/62/60/1029316260.db2.gz SAZGJNPYBRACES-BNNQUZSASA-N -1 0 329.421 3.515 20 0 EHADRM Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000272414935 1029453249 /nfs/dbraw/zinc/45/32/49/1029453249.db2.gz MBHCJSXESPVLLD-UHFFFAOYSA-N -1 0 329.372 3.580 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(C(C)C)C3)s1 ZINC000272419297 1029454591 /nfs/dbraw/zinc/45/45/91/1029454591.db2.gz LPWWTAPXFNDMEW-UHFFFAOYSA-N -1 0 336.482 3.581 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2O)c(C)c1 ZINC000513814003 1029515070 /nfs/dbraw/zinc/51/50/70/1029515070.db2.gz PHVHJKUWRZJBGB-UHFFFAOYSA-N -1 0 325.817 3.772 20 0 EHADRM O=C(c1c([O-])cc(Cl)cc1Cl)N1CCC(OCC2CC2)CC1 ZINC000080034071 1029531981 /nfs/dbraw/zinc/53/19/81/1029531981.db2.gz QPHZXGJXIHYSOZ-UHFFFAOYSA-N -1 0 344.238 3.730 20 0 EHADRM CCCCN(CC(F)(F)F)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000272637739 1029544747 /nfs/dbraw/zinc/54/47/47/1029544747.db2.gz WSBLORSEKXQGCQ-UHFFFAOYSA-N -1 0 329.240 3.614 20 0 EHADRM C[C@H]1c2c(F)cccc2CCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000533288334 1029581116 /nfs/dbraw/zinc/58/11/16/1029581116.db2.gz CHNTZUDESOGAQN-JTQLQIEISA-N -1 0 329.400 3.655 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])cc2F)[C@@H](c2ccco2)C1 ZINC000262308875 1029583869 /nfs/dbraw/zinc/58/38/69/1029583869.db2.gz BDODZMZJSMVMKS-XHDPSFHLSA-N -1 0 331.343 3.730 20 0 EHADRM Cc1cc(C)n(-c2ccc(CN(CC(=O)[O-])c3ccccc3)cc2)n1 ZINC000347345047 1029630391 /nfs/dbraw/zinc/63/03/91/1029630391.db2.gz HFNYGRPSGFWZDZ-UHFFFAOYSA-N -1 0 335.407 3.580 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NCCCCc2ccc(Cl)s2)C1 ZINC000262816687 1029639937 /nfs/dbraw/zinc/63/99/37/1029639937.db2.gz DSRFGCBBXWOHKK-NEPJUHHUSA-N -1 0 343.876 3.731 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)cc1 ZINC000262877757 1029647770 /nfs/dbraw/zinc/64/77/70/1029647770.db2.gz BOJYLYGQHMCJJT-GXTWGEPZSA-N -1 0 329.421 3.659 20 0 EHADRM CC(C)CN(C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1)C(C)C ZINC000262944408 1029652264 /nfs/dbraw/zinc/65/22/64/1029652264.db2.gz AAVKUBWIPZGEIR-QGZVFWFLSA-N -1 0 334.460 3.539 20 0 EHADRM CC(C)(CCC(=O)N1CCCC[C@H]1CCC(=O)[O-])c1ccccc1 ZINC000263022667 1029656387 /nfs/dbraw/zinc/65/63/87/1029656387.db2.gz YMATUDBACMOANM-KRWDZBQOSA-N -1 0 331.456 3.990 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000263005173 1029656608 /nfs/dbraw/zinc/65/66/08/1029656608.db2.gz VVCPZWPDEFHHEE-OAHLLOKOSA-N -1 0 342.395 3.510 20 0 EHADRM Cc1cscc1C(=O)N[C@@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC000263035254 1029659328 /nfs/dbraw/zinc/65/93/28/1029659328.db2.gz MZNJXCKYFJZQBT-PBHICJAKSA-N -1 0 343.448 3.750 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000263051798 1029660463 /nfs/dbraw/zinc/66/04/63/1029660463.db2.gz DZETXYQVULFUGK-KSSFIOAISA-N -1 0 341.407 3.979 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc3c(ccc4ccccc34)[nH]2)[C@H](C(=O)[O-])C1 ZINC000263044160 1029660802 /nfs/dbraw/zinc/66/08/02/1029660802.db2.gz PJJQXAWSJMYONA-XIKOKIGWSA-N -1 0 336.391 3.646 20 0 EHADRM Cc1ccc(Oc2ccccc2)c(NC(=O)N(C)C[C@@H](C)C(=O)[O-])c1 ZINC000263112904 1029667832 /nfs/dbraw/zinc/66/78/32/1029667832.db2.gz VWLWSYSYBNALEY-CQSZACIVSA-N -1 0 342.395 3.972 20 0 EHADRM CSCCCC(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000263167465 1029670222 /nfs/dbraw/zinc/67/02/22/1029670222.db2.gz VYVIJRVWXLCXEP-MRXNPFEDSA-N -1 0 331.437 3.615 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)CCCOc2cccc(F)c2)c1 ZINC000263200871 1029672955 /nfs/dbraw/zinc/67/29/55/1029672955.db2.gz JWUPFLPLPNJJGB-ZDUSSCGKSA-N -1 0 345.370 3.812 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)s1 ZINC000263205680 1029674981 /nfs/dbraw/zinc/67/49/81/1029674981.db2.gz MWXVMZWZKTXABE-VXGBXAGGSA-N -1 0 335.812 3.520 20 0 EHADRM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)[C@@H](C)CC2CCCC2)c1 ZINC000263268386 1029682225 /nfs/dbraw/zinc/68/22/25/1029682225.db2.gz XDQKCCUOETYMLP-VBKZILBWSA-N -1 0 347.455 3.718 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)CC2CC(c3ccccc3)C2)cc1F ZINC000263294596 1029684768 /nfs/dbraw/zinc/68/47/68/1029684768.db2.gz ZIPSEPPIQJMMOG-UHFFFAOYSA-N -1 0 341.382 3.975 20 0 EHADRM Cc1nc(C(=O)Nc2ccc(OC3CCCC3)cc2)ccc1C(=O)[O-] ZINC000263359951 1029690397 /nfs/dbraw/zinc/69/03/97/1029690397.db2.gz TVHBPJQAQHOMPQ-UHFFFAOYSA-N -1 0 340.379 3.662 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1 ZINC000263354319 1029690865 /nfs/dbraw/zinc/69/08/65/1029690865.db2.gz QLPQFNPWGOLSRW-RVKKMQEKSA-N -1 0 331.456 3.873 20 0 EHADRM COc1ccccc1C1(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)CC1 ZINC000263362704 1029691910 /nfs/dbraw/zinc/69/19/10/1029691910.db2.gz YUPCQRMIFRXASJ-ZDUSSCGKSA-N -1 0 339.391 3.554 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)N[C@H]3CCCCC[C@H]3C(=O)[O-])c2c1 ZINC000263383041 1029693015 /nfs/dbraw/zinc/69/30/15/1029693015.db2.gz BSAGPOVJAQKAEL-QAPCUYQASA-N -1 0 342.439 3.559 20 0 EHADRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000263389803 1029693384 /nfs/dbraw/zinc/69/33/84/1029693384.db2.gz COJRPCPAFSXZJC-CTASWTNQSA-N -1 0 335.831 3.593 20 0 EHADRM COCc1cc(NC2CCC(C(=O)[O-])CC2)c2cc(F)ccc2n1 ZINC000263435253 1029697521 /nfs/dbraw/zinc/69/75/21/1029697521.db2.gz VBLXFCUZAKODDA-UHFFFAOYSA-N -1 0 332.375 3.576 20 0 EHADRM COCc1cc(-c2ccccc2O[C@H](C(=O)[O-])C(C)C)ccc1OC ZINC000583392999 1029757689 /nfs/dbraw/zinc/75/76/89/1029757689.db2.gz WDVRBNDHIVYFED-IBGZPJMESA-N -1 0 344.407 3.997 20 0 EHADRM Cc1n[n-]c(=NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)s1 ZINC000525358859 1029808672 /nfs/dbraw/zinc/80/86/72/1029808672.db2.gz SMIUBVWMCRTVHA-MRXNPFEDSA-N -1 0 334.448 3.994 20 0 EHADRM O=C([O-])c1ccc(CN2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000455664200 1029817468 /nfs/dbraw/zinc/81/74/68/1029817468.db2.gz UIVAEFROESHZMZ-QGZVFWFLSA-N -1 0 348.406 3.507 20 0 EHADRM C[C@H](NC(=O)N=c1[n-]nc(C2CC2)s1)c1ccc(C2CC2)cc1 ZINC000583429792 1029820364 /nfs/dbraw/zinc/82/03/64/1029820364.db2.gz DVEKLFCFHLEJKJ-JTQLQIEISA-N -1 0 328.441 3.598 20 0 EHADRM C[C@@H](Oc1cccc(Cl)c1)c1n[n-]c(=NCc2ccccc2)o1 ZINC000446877833 1029840309 /nfs/dbraw/zinc/84/03/09/1029840309.db2.gz OWGVLIYZUIMPRR-GFCCVEGCSA-N -1 0 329.787 3.897 20 0 EHADRM CCCCS[C@H](C)C(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000472288528 1029859454 /nfs/dbraw/zinc/85/94/54/1029859454.db2.gz TVPJTLCSJUSQKZ-SNVBAGLBSA-N -1 0 341.527 3.857 20 0 EHADRM Cc1cccnc1NC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000525503875 1029871671 /nfs/dbraw/zinc/87/16/71/1029871671.db2.gz IEVZEQCPWFRNQN-UHFFFAOYSA-N -1 0 336.395 3.657 20 0 EHADRM CCCCOc1ccc(CCN=c2nc([C@H](C)OC)[n-]s2)cc1 ZINC000509650471 1029947341 /nfs/dbraw/zinc/94/73/41/1029947341.db2.gz IOQMXOJQBIWISZ-ZDUSSCGKSA-N -1 0 335.473 3.501 20 0 EHADRM O=C([O-])c1ccc(-c2ccc(C=C3SC(=S)NC3=O)o2)cc1O ZINC000056678144 1029983693 /nfs/dbraw/zinc/98/36/93/1029983693.db2.gz ZAMOUMGVPMKGIO-WUXMJOGZSA-N -1 0 347.373 3.680 20 0 EHADRM COc1cc(C)cc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c1C ZINC000447258290 1030049277 /nfs/dbraw/zinc/04/92/77/1030049277.db2.gz DQNWHXVRGDCZHX-UHFFFAOYSA-N -1 0 348.399 3.733 20 0 EHADRM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C3CCC3)cc2)c1 ZINC000447268125 1030055682 /nfs/dbraw/zinc/05/56/82/1030055682.db2.gz SYBWLAUHNKAIJS-UHFFFAOYSA-N -1 0 347.436 3.772 20 0 EHADRM COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(C2CCC2)cc1 ZINC000447280472 1030063597 /nfs/dbraw/zinc/06/35/97/1030063597.db2.gz LURDJJJDDWVIOV-UHFFFAOYSA-N -1 0 345.420 3.542 20 0 EHADRM Cc1cc2sc([N-]S(=O)(=O)c3ccccc3F)nc2cc1F ZINC000481877840 1030067791 /nfs/dbraw/zinc/06/77/91/1030067791.db2.gz ZBTZMLCBSIGWRH-UHFFFAOYSA-N -1 0 340.376 3.684 20 0 EHADRM COc1ccc(CN[C@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)o1 ZINC000900030763 1030069690 /nfs/dbraw/zinc/06/96/90/1030069690.db2.gz HWVXKKVOLQOOHL-CYBMUJFWSA-N -1 0 344.194 3.901 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)C1(C)C ZINC000042308660 1030111901 /nfs/dbraw/zinc/11/19/01/1030111901.db2.gz GFNPKWYZZMOQSQ-CVEARBPZSA-N -1 0 346.452 3.583 20 0 EHADRM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1cc2ccccc2cc1F ZINC001125677863 1030136456 /nfs/dbraw/zinc/13/64/56/1030136456.db2.gz FZKPQZOBQNHAFS-UHFFFAOYSA-N -1 0 349.321 3.575 20 0 EHADRM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)c1 ZINC000121600519 1030306293 /nfs/dbraw/zinc/30/62/93/1030306293.db2.gz KLFRWCJYAGECDR-NSHDSACASA-N -1 0 341.379 3.781 20 0 EHADRM CC1(C)CCCCN(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])C1 ZINC000447589170 1030325052 /nfs/dbraw/zinc/32/50/52/1030325052.db2.gz WUTMVLXLXJKVRH-UHFFFAOYSA-N -1 0 347.846 3.884 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000159816612 1030371873 /nfs/dbraw/zinc/37/18/73/1030371873.db2.gz HTHPMQQAATUJEW-INIZCTEOSA-N -1 0 337.375 3.974 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)Nc1ccc(C)c(-c2nc(C)co2)c1)C(=O)[O-] ZINC000583671618 1030418653 /nfs/dbraw/zinc/41/86/53/1030418653.db2.gz BBTWYINVZITUBU-MEBBXXQBSA-N -1 0 345.399 3.579 20 0 EHADRM O=S(=O)(CCc1cccs1)[N-][C@@H](c1ccccc1)C(F)(F)F ZINC000583668453 1030425624 /nfs/dbraw/zinc/42/56/24/1030425624.db2.gz KFJMCWDIDOVCIC-ZDUSSCGKSA-N -1 0 349.399 3.514 20 0 EHADRM COc1ccc(-c2cc(Nc3ccc(C)c(C(=O)[O-])c3)n(C)n2)cc1 ZINC001211593838 1030459253 /nfs/dbraw/zinc/45/92/53/1030459253.db2.gz BQEVOCCLULZLAO-UHFFFAOYSA-N -1 0 337.379 3.846 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)CCCc3c[nH]c4ccccc34)[nH][n-]2)o1 ZINC000447801620 1030485955 /nfs/dbraw/zinc/48/59/55/1030485955.db2.gz DEQMPLUOKLMVEV-UHFFFAOYSA-N -1 0 348.406 3.843 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)NCc2ccc(OC)cc2C)s1 ZINC000532226792 1030492852 /nfs/dbraw/zinc/49/28/52/1030492852.db2.gz DSDUTUJHOHOXFR-UHFFFAOYSA-N -1 0 348.472 3.502 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)C[C@@H](C)c2ccccc2)c1 ZINC000532258526 1030524277 /nfs/dbraw/zinc/52/42/77/1030524277.db2.gz AFPKYKWBNIAJBA-KDOFPFPSSA-N -1 0 341.407 3.521 20 0 EHADRM CCS[C@H]1CCC[C@@H]1NC(=O)c1cccc(Br)c1[O-] ZINC000532284692 1030534516 /nfs/dbraw/zinc/53/45/16/1030534516.db2.gz XPFFYMFHEOVTJV-RYUDHWBXSA-N -1 0 344.274 3.559 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)sc1C(=O)[O-] ZINC000237512732 1030554329 /nfs/dbraw/zinc/55/43/29/1030554329.db2.gz OTMAZIVHPQYYFJ-LLVKDONJSA-N -1 0 346.452 3.938 20 0 EHADRM O=S(=O)([N-]c1cccc2c1OCCC2)c1cc2ccccc2o1 ZINC000532362499 1030569965 /nfs/dbraw/zinc/56/99/65/1030569965.db2.gz SPHWWLYGQWUHIF-UHFFFAOYSA-N -1 0 329.377 3.559 20 0 EHADRM C[C@H](CNC(=O)c1ccc([O-])c(Cl)c1)COCc1ccccc1 ZINC000193713894 1030602864 /nfs/dbraw/zinc/60/28/64/1030602864.db2.gz AEEUUSHTKHDFGR-CYBMUJFWSA-N -1 0 333.815 3.628 20 0 EHADRM C/C=C\C[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3)C(=O)[O-] ZINC000583746332 1030615302 /nfs/dbraw/zinc/61/53/02/1030615302.db2.gz LKHAVBOXNGSEBC-LHRDXKRPSA-N -1 0 340.423 3.586 20 0 EHADRM CCc1ncc(CN=c2[n-]nc(SCc3ccccc3)s2)s1 ZINC000447954373 1030622851 /nfs/dbraw/zinc/62/28/51/1030622851.db2.gz LJZGIXKGEKMGLU-UHFFFAOYSA-N -1 0 348.522 3.883 20 0 EHADRM CCSc1n[n-]c(=NCc2ccc(OC(F)(F)F)cc2)s1 ZINC000447957291 1030626787 /nfs/dbraw/zinc/62/67/87/1030626787.db2.gz YJGCNKURLBIVSJ-UHFFFAOYSA-N -1 0 335.376 3.583 20 0 EHADRM C[C@@H]1CN(C(=O)N=c2nc(-c3ccsc3)[n-]s2)[C@@H]2CCCC[C@H]21 ZINC000448000753 1030651164 /nfs/dbraw/zinc/65/11/64/1030651164.db2.gz OLSLWLLJBOJWLB-KGYLQXTDSA-N -1 0 348.497 3.731 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2F)cc(C(=O)[O-])c1C ZINC000392124520 1030656889 /nfs/dbraw/zinc/65/68/89/1030656889.db2.gz ZFQSYAWSXBOWLJ-GFCCVEGCSA-N -1 0 331.343 3.547 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl ZINC000237522799 1030657552 /nfs/dbraw/zinc/65/75/52/1030657552.db2.gz LYGXPKDLVDPFTL-SWTNXBIASA-N -1 0 349.736 3.742 20 0 EHADRM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000237520869 1030657802 /nfs/dbraw/zinc/65/78/02/1030657802.db2.gz RIYNDLQQVDSSHN-OFFHKIPUSA-N -1 0 345.782 3.844 20 0 EHADRM C[C@H]1CCN(C(=O)N=c2nc(-c3ccsc3)[n-]s2)C[C@@H](C)C1 ZINC000448012551 1030666455 /nfs/dbraw/zinc/66/64/55/1030666455.db2.gz RSSOFASQVNRBBX-QWRGUYRKSA-N -1 0 336.486 3.588 20 0 EHADRM COc1cc(C(=O)N2C[C@H](C)Oc3ccc(C)cc32)cc(Cl)c1O ZINC000527203231 1030706946 /nfs/dbraw/zinc/70/69/46/1030706946.db2.gz HWADMUJBGAMSCE-NSHDSACASA-N -1 0 347.798 3.790 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000448155989 1030780385 /nfs/dbraw/zinc/78/03/85/1030780385.db2.gz NQBDNDBINGUXSF-SJLPKXTDSA-N -1 0 336.439 3.624 20 0 EHADRM Cc1cccc(CN(CC(C)C)C(=O)N=c2ccc(C3CC3)n[n-]2)c1 ZINC000448155829 1030780699 /nfs/dbraw/zinc/78/06/99/1030780699.db2.gz PGVMCJYOKRKYEB-UHFFFAOYSA-N -1 0 338.455 3.774 20 0 EHADRM CC(C)[C@H]1CCCCN1C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000527332255 1030807727 /nfs/dbraw/zinc/80/77/27/1030807727.db2.gz KNFDRQCIQJVHQX-CQSZACIVSA-N -1 0 330.457 3.669 20 0 EHADRM CCCCOc1ccc([C@H](C)N=c2nc(CC)[n-]s2)cc1OC ZINC000426520558 1030816400 /nfs/dbraw/zinc/81/64/00/1030816400.db2.gz DNRSTECMMDGVPO-LBPRGKRZSA-N -1 0 335.473 3.883 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])[C@H]1CCCc2c(O)cccc21 ZINC000476702462 1030821953 /nfs/dbraw/zinc/82/19/53/1030821953.db2.gz VUXBCERKENHGOP-LBPRGKRZSA-N -1 0 335.762 3.949 20 0 EHADRM COc1ccccc1-n1nc(C)cc1Nc1ccc(C)c(C(=O)[O-])c1 ZINC001211599892 1030879993 /nfs/dbraw/zinc/87/99/93/1030879993.db2.gz ZHBKTFLQQBWYPW-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@H]2SCCc3ccccc32)c1 ZINC000262824763 1030919975 /nfs/dbraw/zinc/91/99/75/1030919975.db2.gz AZUNXRRGXDRARR-SJCJKPOMSA-N -1 0 341.432 3.844 20 0 EHADRM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C3CC3)[nH]n2)c1 ZINC000551019060 1030925123 /nfs/dbraw/zinc/92/51/23/1030925123.db2.gz WWQYTQFHSMWMOH-UHFFFAOYSA-N -1 0 339.848 3.865 20 0 EHADRM CC(C)(C)[C@H]1CCN(C(=O)N=c2nc(-c3ccsc3)[n-]s2)C1 ZINC000583852048 1030948330 /nfs/dbraw/zinc/94/83/30/1030948330.db2.gz JYOFRXNTHZLMST-NSHDSACASA-N -1 0 336.486 3.588 20 0 EHADRM Cc1cc(C)cc(-c2cc(=NC(=O)c3c(F)ccc(F)c3F)[nH][nH]2)c1 ZINC000483116126 1030978860 /nfs/dbraw/zinc/97/88/60/1030978860.db2.gz GKRIRRDLFWCLLZ-UHFFFAOYSA-N -1 0 345.324 3.785 20 0 EHADRM CCOc1cc([N-]S(=O)(=O)c2cc3ccccc3o2)ccc1C ZINC000551117323 1031044621 /nfs/dbraw/zinc/04/46/21/1031044621.db2.gz YPLAQZPOZLMSBW-UHFFFAOYSA-N -1 0 331.393 3.941 20 0 EHADRM CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000783874734 1031109855 /nfs/dbraw/zinc/10/98/55/1031109855.db2.gz WWJKTKYAZMYUCQ-UHFFFAOYSA-N -1 0 345.754 3.622 20 0 EHADRM COc1cc(C(=O)Nc2sccc2C(=O)c2ccc(C)cc2)on1 ZINC000448455233 1031114615 /nfs/dbraw/zinc/11/46/15/1031114615.db2.gz RFWXBJDMDMJROI-UHFFFAOYSA-N -1 0 342.376 3.536 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc(Cl)ccc1Cl ZINC000314834418 1031124063 /nfs/dbraw/zinc/12/40/63/1031124063.db2.gz YCEZJGXKRCMHJK-FZZIBODNSA-N -1 0 342.222 3.851 20 0 EHADRM CC(=CC(=O)[N-]S(=O)(=O)c1ccc(C)s1)c1ccc(F)cc1 ZINC000065644024 1031175993 /nfs/dbraw/zinc/17/59/93/1031175993.db2.gz SDZKQJNXJUQBAG-KTKRTIGZSA-N -1 0 339.413 3.944 20 0 EHADRM CC[C@@H]1CCCCN1C(=O)c1cc(Br)c(F)cc1[O-] ZINC000448553273 1031215957 /nfs/dbraw/zinc/21/59/57/1031215957.db2.gz BHJRPTUWQGKBMO-SECBINFHSA-N -1 0 330.197 3.699 20 0 EHADRM CC(C)(CC(=O)NCC(C)(C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000583958043 1031228839 /nfs/dbraw/zinc/22/88/39/1031228839.db2.gz YFTSHZOSEWPSAD-UHFFFAOYSA-N -1 0 345.361 3.600 20 0 EHADRM Cc1ccnc(N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c1Br ZINC000650776198 1031246621 /nfs/dbraw/zinc/24/66/21/1031246621.db2.gz QMXOJRFWELAKLQ-STQMWFEESA-N -1 0 347.212 3.878 20 0 EHADRM COCc1n[n-]c(=N[C@H](Cc2ccccc2)c2sccc2C)s1 ZINC000477129928 1031279631 /nfs/dbraw/zinc/27/96/31/1031279631.db2.gz YENTXGUBMKGHQM-CQSZACIVSA-N -1 0 345.493 3.872 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NCc1cnn(Cc2ccc(F)cc2)c1 ZINC000551421142 1031311895 /nfs/dbraw/zinc/31/18/95/1031311895.db2.gz VLSKWGYQVJVSLZ-UHFFFAOYSA-N -1 0 339.370 3.689 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-]c2nccc3sccc32)c(F)c1 ZINC000194692588 1031360040 /nfs/dbraw/zinc/36/00/40/1031360040.db2.gz PDCBXFGFZMZOLF-UHFFFAOYSA-N -1 0 336.413 3.686 20 0 EHADRM C[C@@H]1COCCN1c1ccc(NC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000132598649 1031365467 /nfs/dbraw/zinc/36/54/67/1031365467.db2.gz FBFLBGNHRZTNET-GFCCVEGCSA-N -1 0 346.814 3.523 20 0 EHADRM COC(=O)C1(c2ccc(Nc3ccc(C)c(C(=O)[O-])c3)cc2)CC1 ZINC001211606004 1031365671 /nfs/dbraw/zinc/36/56/71/1031365671.db2.gz FVTOWLFLUHDHRT-UHFFFAOYSA-N -1 0 325.364 3.641 20 0 EHADRM C[C@@H](NC(=O)C(C)(C)c1ccc(-c2ccccc2)cc1)[C@@H](C)C(=O)[O-] ZINC000668287082 1031396085 /nfs/dbraw/zinc/39/60/85/1031396085.db2.gz WQHYIYXAWYTFOH-HUUCEWRRSA-N -1 0 339.435 3.857 20 0 EHADRM Cc1[nH]nc([N-]S(=O)(=O)c2cc(C)ccc2F)c1-c1ccccc1 ZINC000536190723 1031407703 /nfs/dbraw/zinc/40/77/03/1031407703.db2.gz FKIDNQUTDVAGID-UHFFFAOYSA-N -1 0 345.399 3.633 20 0 EHADRM CC1(C)C[C@@]1(NC(=O)CC1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000668296022 1031415511 /nfs/dbraw/zinc/41/55/11/1031415511.db2.gz BZOJXEZYBBOKBP-NODKNVJMSA-N -1 0 329.440 3.709 20 0 EHADRM Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3cccc(CC(=O)[O-])c3)C2)cc1 ZINC000668300163 1031427101 /nfs/dbraw/zinc/42/71/01/1031427101.db2.gz CMXPYSHRLUGGGB-KXBFYZLASA-N -1 0 337.419 3.640 20 0 EHADRM COc1cc(SC)ccc1NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000668304794 1031431106 /nfs/dbraw/zinc/43/11/06/1031431106.db2.gz WDDLZGOLUVYWRU-UHFFFAOYSA-N -1 0 337.441 3.637 20 0 EHADRM CC[C@@H](CC(=O)N=c1ccc(C(F)(F)F)n[n-]1)c1ccc(C)cc1 ZINC000484152102 1031463682 /nfs/dbraw/zinc/46/36/82/1031463682.db2.gz OHBWCGKSMAFDBW-LBPRGKRZSA-N -1 0 337.345 3.748 20 0 EHADRM COCc1ccc(S(=O)(=O)[N-]c2csc3ccccc23)cc1 ZINC000484139324 1031464227 /nfs/dbraw/zinc/46/42/27/1031464227.db2.gz JWEXKKHKPVQVBP-UHFFFAOYSA-N -1 0 333.434 3.849 20 0 EHADRM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000163450688 1031467648 /nfs/dbraw/zinc/46/76/48/1031467648.db2.gz PTEMUOWNSUXUHA-GHMZBOCLSA-N -1 0 331.840 3.931 20 0 EHADRM O=S(=O)([N-]c1csc2ccccc12)c1ccc(F)c(F)c1 ZINC000484174523 1031476331 /nfs/dbraw/zinc/47/63/31/1031476331.db2.gz OYRMWUNDMSIQCZ-UHFFFAOYSA-N -1 0 325.361 3.980 20 0 EHADRM C[C@H](CNC(=O)c1cc(F)c([O-])c(Cl)c1)Cc1cccs1 ZINC000194757837 1031479289 /nfs/dbraw/zinc/47/92/89/1031479289.db2.gz LDGYPYQDQFLDMD-VIFPVBQESA-N -1 0 327.808 3.855 20 0 EHADRM CN(C(=O)CCc1ccc(C(=O)[O-])cc1)C(C)(C)c1ccccc1 ZINC000668326309 1031490465 /nfs/dbraw/zinc/49/04/65/1031490465.db2.gz UNMSWEORDIIRAJ-UHFFFAOYSA-N -1 0 325.408 3.711 20 0 EHADRM Cc1ccc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)cc1Cl ZINC000484260830 1031507328 /nfs/dbraw/zinc/50/73/28/1031507328.db2.gz MYDAXFITPJHEMY-UHFFFAOYSA-N -1 0 339.782 3.855 20 0 EHADRM Cc1cnc(CN[C@@H](CCC(=O)[O-])c2ccc(Cl)c(Cl)c2)o1 ZINC000904000188 1031584258 /nfs/dbraw/zinc/58/42/58/1031584258.db2.gz PJJUJRKFLYNXPE-ZDUSSCGKSA-N -1 0 343.210 3.986 20 0 EHADRM Cc1cc([C@H](NCc2nc(C(C)(C)C)co2)C(=O)[O-])ccc1Cl ZINC000904002039 1031588536 /nfs/dbraw/zinc/58/85/36/1031588536.db2.gz MLDLQCPNWCRIIV-HNNXBMFYSA-N -1 0 336.819 3.849 20 0 EHADRM CC[C@H](Cc1ccc(NCc2cncc(OC)c2C)cc1)C(=O)[O-] ZINC000904015392 1031603361 /nfs/dbraw/zinc/60/33/61/1031603361.db2.gz NAZUIRIXHDGDQY-OAHLLOKOSA-N -1 0 328.412 3.664 20 0 EHADRM CC(C)c1c[nH]c(CNc2cc(Br)cc(C(=O)[O-])c2)n1 ZINC000904007497 1031624270 /nfs/dbraw/zinc/62/42/70/1031624270.db2.gz KTAONRVUYGJUIU-UHFFFAOYSA-N -1 0 338.205 3.606 20 0 EHADRM Cc1cnccc1C[NH2+][C@H](CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000904010807 1031629177 /nfs/dbraw/zinc/62/91/77/1031629177.db2.gz PGOHISLOHZTNFU-OAHLLOKOSA-N -1 0 338.329 3.714 20 0 EHADRM O=C([O-])C(F)(F)CNCc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000904032555 1031639656 /nfs/dbraw/zinc/63/96/56/1031639656.db2.gz PJHWETFBVRPVFN-UHFFFAOYSA-N -1 0 349.255 3.775 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc3cccnc32)c(F)cc1F ZINC000084649946 1031663113 /nfs/dbraw/zinc/66/31/13/1031663113.db2.gz IXFFBEBDANEIBJ-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM CC[C@H](NCc1csc(-c2ccsc2)n1)c1nc(C(=O)[O-])c[nH]1 ZINC000904063868 1031690144 /nfs/dbraw/zinc/69/01/44/1031690144.db2.gz DRDGOFLBBWFYRB-NSHDSACASA-N -1 0 348.453 3.534 20 0 EHADRM Cc1ccc(NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)cc1C ZINC000904194852 1031842036 /nfs/dbraw/zinc/84/20/36/1031842036.db2.gz NHUPAVAVRFAQCB-UHFFFAOYSA-N -1 0 328.412 3.810 20 0 EHADRM Cc1ccc(N[C@@H]2C[C@@H](NC(=O)[O-])C23CCC3)cc1-c1ncco1 ZINC000904198554 1031844814 /nfs/dbraw/zinc/84/48/14/1031844814.db2.gz AKPXEWVPIWVGJG-HUUCEWRRSA-N -1 0 327.384 3.641 20 0 EHADRM CC(C)n1ncc2ccc(N[C@@H]3C[C@@H](NC(=O)[O-])C34CCC4)cc21 ZINC000904229604 1031867700 /nfs/dbraw/zinc/86/77/00/1031867700.db2.gz LFCSSNXXLXCUIX-HZPDHXFCSA-N -1 0 328.416 3.608 20 0 EHADRM Cc1ncoc1-c1ccc(N[C@@H]2C[C@@H](NC(=O)[O-])C23CCC3)cc1 ZINC000904257720 1031904729 /nfs/dbraw/zinc/90/47/29/1031904729.db2.gz CHHGBLWWEGQRIT-HUUCEWRRSA-N -1 0 327.384 3.641 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2ccsc2)c(C(F)(F)F)c1 ZINC000350006038 1031943109 /nfs/dbraw/zinc/94/31/09/1031943109.db2.gz ORJLMHJRTVZZNX-UHFFFAOYSA-N -1 0 337.344 3.576 20 0 EHADRM CC1(C)CCCN(C(=O)c2cc(Br)c(F)cc2[O-])C1 ZINC000448964081 1031959703 /nfs/dbraw/zinc/95/97/03/1031959703.db2.gz CXFBOUSLSXMUFR-UHFFFAOYSA-N -1 0 330.197 3.556 20 0 EHADRM CCCc1nc(=NC(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)s[n-]1 ZINC000584260803 1032021275 /nfs/dbraw/zinc/02/12/75/1032021275.db2.gz VYJAHYKJQZMMQK-GXTWGEPZSA-N -1 0 348.447 3.509 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)n1 ZINC000574552494 1033297038 /nfs/dbraw/zinc/29/70/38/1033297038.db2.gz ZBQOEHGWANOFIA-UHFFFAOYSA-N -1 0 346.836 3.705 20 0 EHADRM CCN(C(=O)c1cc(Br)c(F)cc1[O-])[C@@H](C)C(C)C ZINC000574647863 1033313266 /nfs/dbraw/zinc/31/32/66/1033313266.db2.gz BOXFKMQUAZZMSZ-VIFPVBQESA-N -1 0 332.213 3.800 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)CCCCC1 ZINC000574619724 1033323760 /nfs/dbraw/zinc/32/37/60/1033323760.db2.gz FEVFEZZNKUWSPQ-UONOGXRCSA-N -1 0 335.831 3.737 20 0 EHADRM c1ccc(C2CCC(N=c3[n-]c(C4CCOCC4)no3)CC2)cc1 ZINC000574738244 1033351378 /nfs/dbraw/zinc/35/13/78/1033351378.db2.gz XDXCZWSONAZLRI-UHFFFAOYSA-N -1 0 327.428 3.524 20 0 EHADRM Cc1cc2occ(CC(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])c2cc1C(C)C ZINC000263385106 1033370716 /nfs/dbraw/zinc/37/07/16/1033370716.db2.gz BWMYUUDTRZCFAL-OLZOCXBDSA-N -1 0 331.412 3.633 20 0 EHADRM CCCOc1ccc(CN=c2[n-]nc(CC(C)(C)C)o2)cc1OCC ZINC000537489781 1033371339 /nfs/dbraw/zinc/37/13/39/1033371339.db2.gz SORUBWICNRFIAN-UHFFFAOYSA-N -1 0 347.459 3.880 20 0 EHADRM CCOc1ccccc1CN=c1[n-]nc(Cc2cccc(F)c2)s1 ZINC000537491147 1033378730 /nfs/dbraw/zinc/37/87/30/1033378730.db2.gz LQVCBWXJYXVIDT-UHFFFAOYSA-N -1 0 343.427 3.701 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)NC(C)(C)CCC(=O)[O-] ZINC000263491855 1033391902 /nfs/dbraw/zinc/39/19/02/1033391902.db2.gz PCJZQUKXMMPNHG-UHFFFAOYSA-N -1 0 330.837 3.827 20 0 EHADRM CC[C@@H](NC(=O)N=c1nc([C@H](C)OC)[n-]s1)c1cc(C)ccc1C ZINC000529100740 1033397598 /nfs/dbraw/zinc/39/75/98/1033397598.db2.gz DSOLZXADWYCGQS-GXTWGEPZSA-N -1 0 348.472 3.557 20 0 EHADRM CC1=Nc2ccccc2C12CCN(C(=O)c1ccc(F)cc1[O-])CC2 ZINC000898243990 1033400059 /nfs/dbraw/zinc/40/00/59/1033400059.db2.gz LIELVMMTKUINEP-UHFFFAOYSA-N -1 0 338.382 3.811 20 0 EHADRM CCSCc1ccc(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000594462667 1033409674 /nfs/dbraw/zinc/40/96/74/1033409674.db2.gz OXSVWXIUDIGDSJ-UHOFOFEASA-N -1 0 349.496 3.805 20 0 EHADRM Fc1ccc(CN=c2[n-]nc(C3CCCCC3)o2)c2ncccc12 ZINC000537506025 1033511211 /nfs/dbraw/zinc/51/12/11/1033511211.db2.gz CHEFCSOGMBHSAT-UHFFFAOYSA-N -1 0 326.375 3.839 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)COc2ccc(C(C)C)cc2)c1 ZINC000476353573 1033541262 /nfs/dbraw/zinc/54/12/62/1033541262.db2.gz PGJZACNYQHQZTF-UHFFFAOYSA-N -1 0 327.380 3.736 20 0 EHADRM Cc1ccc(F)c(NC(=O)N(CC(=O)[O-])[C@@H](C)c2ccccc2)c1 ZINC000574828334 1033554030 /nfs/dbraw/zinc/55/40/30/1033554030.db2.gz KBECKQSYVMMVKX-ZDUSSCGKSA-N -1 0 330.359 3.814 20 0 EHADRM Cc1ccc2oc(N3CCC[C@@H]3c3nc(C(=O)[O-])cs3)nc2c1 ZINC000574813746 1033567139 /nfs/dbraw/zinc/56/71/39/1033567139.db2.gz IYOLFTASQWAXFU-GFCCVEGCSA-N -1 0 329.381 3.632 20 0 EHADRM CC[C@@H]1CCCCN1C(=O)N=c1[n-]nc(Cc2ccc(C)cc2)s1 ZINC000594942364 1033587980 /nfs/dbraw/zinc/58/79/80/1033587980.db2.gz RULPZDBNEBVGHG-OAHLLOKOSA-N -1 0 344.484 3.656 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)N[C@H](CC2CC2)c2ccccc2)s[n-]1 ZINC000608299096 1033596198 /nfs/dbraw/zinc/59/61/98/1033596198.db2.gz ZYXDVZQLOFDCDT-CQSZACIVSA-N -1 0 344.484 3.920 20 0 EHADRM CC(C)c1ccsc1C(=O)N[C@@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000455953909 1033598563 /nfs/dbraw/zinc/59/85/63/1033598563.db2.gz SSQSPEIUUMDLOP-BBRMVZONSA-N -1 0 345.464 3.933 20 0 EHADRM CCCC[C@@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1ccc(OC)cc1 ZINC000608340409 1033645428 /nfs/dbraw/zinc/64/54/28/1033645428.db2.gz SWKWBAMCXIFCAF-FGTMMUONSA-N -1 0 345.439 3.710 20 0 EHADRM CCOc1cc(C(=O)N2Cc3ccccc3CO2)cc(Cl)c1[O-] ZINC000489827409 1033694508 /nfs/dbraw/zinc/69/45/08/1033694508.db2.gz GXXZMXYTFKJRJD-UHFFFAOYSA-N -1 0 333.771 3.532 20 0 EHADRM C[C@@H](CNC(=O)c1c([O-])cc(F)cc1F)Oc1ccccc1Cl ZINC000608474197 1033703444 /nfs/dbraw/zinc/70/34/44/1033703444.db2.gz ZZIAHZZPWDJKQB-VIFPVBQESA-N -1 0 341.741 3.521 20 0 EHADRM C[C@@H]1CN(C(=O)c2cccc(Br)c2[O-])[C@@H]1c1ccccc1 ZINC000608481929 1033707967 /nfs/dbraw/zinc/70/79/67/1033707967.db2.gz BGMKWRLYBLCMAN-ABAIWWIYSA-N -1 0 346.224 3.988 20 0 EHADRM C[C@H](Sc1n[n-]c(=NCc2ccccc2)s1)c1ccncc1 ZINC000599124026 1033744803 /nfs/dbraw/zinc/74/48/03/1033744803.db2.gz VOZZFFJPMPLBTB-LBPRGKRZSA-N -1 0 328.466 3.820 20 0 EHADRM O=C(NC[C@H]1CCCC(F)(F)C1)c1cc(O)cc(Br)c1 ZINC000529272202 1033745931 /nfs/dbraw/zinc/74/59/31/1033745931.db2.gz NCXUSDNBCAVKOD-VIFPVBQESA-N -1 0 348.187 3.710 20 0 EHADRM CCC1(C)CCN(C(=O)N=c2nc(-c3ccsc3)[n-]s2)CC1 ZINC000574996391 1033757165 /nfs/dbraw/zinc/75/71/65/1033757165.db2.gz VJVVJHFOGPUROS-UHFFFAOYSA-N -1 0 336.486 3.733 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccc(OC)cc2)cc1 ZINC000045098564 1033820300 /nfs/dbraw/zinc/82/03/00/1033820300.db2.gz LSXWJIZTNFBRIH-UHFFFAOYSA-N -1 0 347.436 3.536 20 0 EHADRM CC[C@@H](CC(F)(F)F)C(=O)N=c1[nH][n-]c(-c2ccc(C)o2)c1C ZINC000450174285 1033851268 /nfs/dbraw/zinc/85/12/68/1033851268.db2.gz CPJIDXDBUOWPSY-JTQLQIEISA-N -1 0 329.322 3.626 20 0 EHADRM Cc1coc(C)c1C(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000550698802 1033877960 /nfs/dbraw/zinc/87/79/60/1033877960.db2.gz DUDRQCFZSNCMIZ-UHFFFAOYSA-N -1 0 333.800 3.743 20 0 EHADRM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000550711808 1033906359 /nfs/dbraw/zinc/90/63/59/1033906359.db2.gz BDECYNYJFWIANS-CJNGLKHVSA-N -1 0 345.418 3.758 20 0 EHADRM Cc1ccc(C)c(C(=O)N2CC[C@H](C(F)(F)F)C2(C)C)c1C(=O)[O-] ZINC000326300792 1033946697 /nfs/dbraw/zinc/94/66/97/1033946697.db2.gz DYBPQSVEEVAEBL-NSHDSACASA-N -1 0 343.345 3.805 20 0 EHADRM CSCc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000608955965 1033959575 /nfs/dbraw/zinc/95/95/75/1033959575.db2.gz YCECJUVSXFCMFD-UHFFFAOYSA-N -1 0 347.383 3.768 20 0 EHADRM CCOc1cc(CN=c2[n-]nc(-c3ccccc3)s2)ccc1OC ZINC000603927104 1034037164 /nfs/dbraw/zinc/03/71/64/1034037164.db2.gz CIAKHAGJQAPBDG-UHFFFAOYSA-N -1 0 341.436 3.646 20 0 EHADRM CCSCc1cccc(NC(=O)NC[C@@H](C(=O)[O-])C2CCC2)c1 ZINC000596060008 1034063026 /nfs/dbraw/zinc/06/30/26/1034063026.db2.gz XNOOEBZTTIYJNW-OAHLLOKOSA-N -1 0 336.457 3.562 20 0 EHADRM CCSCc1cccc(N=c2nc(C3CCOCC3)[n-]s2)c1 ZINC000596137708 1034088257 /nfs/dbraw/zinc/08/82/57/1034088257.db2.gz VKYGBYDGHVAEKH-UHFFFAOYSA-N -1 0 335.498 3.851 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(C)cc2F)[nH]nc1-c1ccccc1 ZINC000534065224 1034096837 /nfs/dbraw/zinc/09/68/37/1034096837.db2.gz DUZIZJSTRBIGHU-UHFFFAOYSA-N -1 0 345.399 3.633 20 0 EHADRM Cc1n[nH]cc1S(=O)(=O)[N-]c1cc(Cl)ccc1SC(C)C ZINC000347409225 1034106957 /nfs/dbraw/zinc/10/69/57/1034106957.db2.gz HQVJYSRAYFBRPM-UHFFFAOYSA-N -1 0 345.877 3.673 20 0 EHADRM O=S(=O)([N-]c1cccc2[nH]ccc21)c1ccc(Cl)nc1Cl ZINC000171180522 1034188284 /nfs/dbraw/zinc/18/82/84/1034188284.db2.gz NLBQKGHGBRCXKC-UHFFFAOYSA-N -1 0 342.207 3.671 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]C(=O)C[C@H]2CCC[C@H](C)C2)cc1 ZINC000080252334 1034249877 /nfs/dbraw/zinc/24/98/77/1034249877.db2.gz TUMAVKINJVHJCF-STQMWFEESA-N -1 0 325.430 3.557 20 0 EHADRM O=C(Oc1cccc2c1OCCC2)c1ccc2oc(=S)[n-]c2c1 ZINC001299887755 1034429466 /nfs/dbraw/zinc/42/94/66/1034429466.db2.gz VSUMSHWCNOMZBY-UHFFFAOYSA-N -1 0 327.361 3.661 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C[C@@H]1C[C@H]1c1ccccc1)C1CCCCC1 ZINC000450512833 1034449240 /nfs/dbraw/zinc/44/92/40/1034449240.db2.gz SVAMPOVPZODKKG-BZSNNMDCSA-N -1 0 329.440 3.720 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1cc(-c2ccoc2)[nH]n1 ZINC000546858144 1034476953 /nfs/dbraw/zinc/47/69/53/1034476953.db2.gz XQYIHZOJLWAOLX-UHFFFAOYSA-N -1 0 338.150 3.934 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000450529971 1034485739 /nfs/dbraw/zinc/48/57/39/1034485739.db2.gz BHCSDOUQBLOSAC-TZMCWYRMSA-N -1 0 329.421 3.855 20 0 EHADRM O=C(CC/C=C/c1ccccc1)[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000255831676 1034495450 /nfs/dbraw/zinc/49/54/50/1034495450.db2.gz KTEICZHNGZXMKL-SATWKTDMSA-N -1 0 341.432 3.597 20 0 EHADRM COc1cnccc1[C@@H](C)/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000187742999 1034497077 /nfs/dbraw/zinc/49/70/77/1034497077.db2.gz ILCVJTQZOPPNAP-NKXMEUTISA-N -1 0 335.747 3.538 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)N2CCCC3(CCCCC3)C2)s[n-]1 ZINC000604799982 1034508238 /nfs/dbraw/zinc/50/82/38/1034508238.db2.gz AUGAKKREICJCGQ-UHFFFAOYSA-N -1 0 336.505 3.836 20 0 EHADRM C[C@H](N=c1[n-]nc(C2CCOCC2)s1)c1cccc(C2CC2)c1 ZINC000450554009 1034516724 /nfs/dbraw/zinc/51/67/24/1034516724.db2.gz JXIPDOHUCYIICY-LBPRGKRZSA-N -1 0 329.469 3.905 20 0 EHADRM CC(C)n1ncc2cc(NC(=O)c3cc(=O)c4ccccc4[n-]3)ccc21 ZINC000604992974 1034569649 /nfs/dbraw/zinc/56/96/49/1034569649.db2.gz LLPRCBSNJDCWDX-UHFFFAOYSA-N -1 0 346.390 3.711 20 0 EHADRM CC(C)n1ncc2cc(NC(=O)c3c([O-])cc(F)cc3F)ccc21 ZINC000605025478 1034598392 /nfs/dbraw/zinc/59/83/92/1034598392.db2.gz JQPWKXCQPHBASU-UHFFFAOYSA-N -1 0 331.322 3.853 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]C(=O)c1csc2c1CCCC2 ZINC000060495353 1034610466 /nfs/dbraw/zinc/61/04/66/1034610466.db2.gz ZESPUAVLCSOXJP-UHFFFAOYSA-N -1 0 335.450 3.629 20 0 EHADRM Cc1cccc(-c2ccc(CNC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])cc2)c1 ZINC000605165078 1034641939 /nfs/dbraw/zinc/64/19/39/1034641939.db2.gz HDJMZOLXIZUMBI-UXHICEINSA-N -1 0 349.430 3.945 20 0 EHADRM O=S(=O)(C[C@@H]1CCCO1)[N-]c1ccccc1Sc1ccccc1 ZINC000605291305 1034675245 /nfs/dbraw/zinc/67/52/45/1034675245.db2.gz RWZOHTDGGLWGPN-AWEZNQCLSA-N -1 0 349.477 3.759 20 0 EHADRM Cc1ccc(Oc2ccccc2[N-]S(=O)(=O)C[C@H]2CCCO2)cc1 ZINC000605291518 1034675281 /nfs/dbraw/zinc/67/52/81/1034675281.db2.gz ZWFKHWZKXPHISG-MRXNPFEDSA-N -1 0 347.436 3.708 20 0 EHADRM Cc1ccc(S[C@@H](C(=O)N=c2cccn[n-]2)c2ccccc2)c(C)c1 ZINC000605469828 1034750600 /nfs/dbraw/zinc/75/06/00/1034750600.db2.gz HXRMCRQJNCQCQD-LJQANCHMSA-N -1 0 349.459 3.987 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)c1 ZINC000511340508 1034781426 /nfs/dbraw/zinc/78/14/26/1034781426.db2.gz BEPOVPAOCGIHRP-UHFFFAOYSA-N -1 0 328.393 3.759 20 0 EHADRM C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccccc2F)CCc2ccccc2C1 ZINC000076765765 1034801682 /nfs/dbraw/zinc/80/16/82/1034801682.db2.gz NSXZUUXREZWWBR-GOSISDBHSA-N -1 0 347.411 3.666 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000601960651 1034840582 /nfs/dbraw/zinc/84/05/82/1034840582.db2.gz VEWSGTOHMDZIBY-HNNXBMFYSA-N -1 0 337.448 3.834 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)[C@H](C)S[C@H](C)C(=O)[O-] ZINC000601984482 1034848787 /nfs/dbraw/zinc/84/87/87/1034848787.db2.gz ORAXDIBTKDODAT-DTWKUNHWSA-N -1 0 347.889 3.985 20 0 EHADRM O=C([O-])c1ccc(O)c(-c2cc(F)ccc2OC[C@H]2CCCCO2)c1 ZINC000569942297 1034906434 /nfs/dbraw/zinc/90/64/34/1034906434.db2.gz QVTMUGFUWUACGU-CQSZACIVSA-N -1 0 346.354 3.844 20 0 EHADRM C[C@@H]1CCc2nc([N-]S(=O)(=O)c3sccc3Cl)sc2C1 ZINC000450962526 1034989579 /nfs/dbraw/zinc/98/95/79/1034989579.db2.gz CDFWSJVMJVJLOQ-SSDOTTSWSA-N -1 0 348.902 3.784 20 0 EHADRM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2sccc2Cl)n[nH]1 ZINC000450983817 1035012961 /nfs/dbraw/zinc/01/29/61/1035012961.db2.gz ZLDJAZLYTDLROY-UHFFFAOYSA-N -1 0 333.866 3.514 20 0 EHADRM Cc1csc(S(=O)(=O)[N-]c2ccc(OC3CCC3)c(F)c2)c1 ZINC000451021395 1035017501 /nfs/dbraw/zinc/01/75/01/1035017501.db2.gz PUTYXOIPLMCVTM-UHFFFAOYSA-N -1 0 341.429 3.928 20 0 EHADRM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1cnc(C(=O)[O-])cn1 ZINC000530162416 1035033170 /nfs/dbraw/zinc/03/31/70/1035033170.db2.gz ORMWFAZCXDSHGO-VIFPVBQESA-N -1 0 340.210 3.675 20 0 EHADRM C[C@H]1CCC[C@H](C)N(C(=O)N=c2nc(-c3ccccc3)[n-]s2)C1 ZINC000475668477 1035036787 /nfs/dbraw/zinc/03/67/87/1035036787.db2.gz RQCFKRNFEBHDOK-STQMWFEESA-N -1 0 330.457 3.669 20 0 EHADRM C[C@@]1(c2ccc(F)cc2)CCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000376023232 1035137545 /nfs/dbraw/zinc/13/75/45/1035137545.db2.gz WTWBWXSWVNZLSX-GOSISDBHSA-N -1 0 343.427 3.700 20 0 EHADRM O=C([O-])Cn1ccc2cc(NC(=O)c3ccc4ccccc4n3)ccc21 ZINC000431678888 1035204052 /nfs/dbraw/zinc/20/40/52/1035204052.db2.gz NKGNIBGZLCHUJB-UHFFFAOYSA-N -1 0 345.358 3.526 20 0 EHADRM O=C(c1cc(Cc2ccccc2)ccc1O)N1CCC[C@@H]1c1cc[nH]n1 ZINC000376103327 1035269017 /nfs/dbraw/zinc/26/90/17/1035269017.db2.gz PSHHBQWUBXGRSD-LJQANCHMSA-N -1 0 347.418 3.683 20 0 EHADRM C[C@H]1CC2(CCC2)CN1C(=O)N=c1[n-]nc(/C=C/c2ccco2)s1 ZINC000376108782 1035277016 /nfs/dbraw/zinc/27/70/16/1035277016.db2.gz CLIDEHHKHJMPHU-FYJFLYSWSA-N -1 0 344.440 3.520 20 0 EHADRM CCCn1ncc([N-]S(=O)(=O)c2cccc3ccoc32)c1C1CC1 ZINC000570478258 1035281104 /nfs/dbraw/zinc/28/11/04/1035281104.db2.gz ACLLWEDVFNVWKO-UHFFFAOYSA-N -1 0 345.424 3.718 20 0 EHADRM CC(C)[C@@H]1N(C(=O)N=c2nc(-c3ccccc3)[n-]s2)CC1(C)C ZINC000431703722 1035302164 /nfs/dbraw/zinc/30/21/64/1035302164.db2.gz SDGWVROHFRSKSS-ZDUSSCGKSA-N -1 0 330.457 3.525 20 0 EHADRM CC(C)c1ccc([C@H]2CCCCN2C(=O)c2cc(=O)n(C)[n-]2)cc1 ZINC000613139466 1035420111 /nfs/dbraw/zinc/42/01/11/1035420111.db2.gz POMBZSABDQWUHC-QGZVFWFLSA-N -1 0 327.428 3.617 20 0 EHADRM O=C([O-])[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)CCC1CCC1 ZINC000431776715 1035474008 /nfs/dbraw/zinc/47/40/08/1035474008.db2.gz SQKQGTDSRDSMNT-CQSZACIVSA-N -1 0 344.238 3.686 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2cccc(C)n2)cc1Cl ZINC000185614928 1035502521 /nfs/dbraw/zinc/50/25/21/1035502521.db2.gz ZUVJFTWFHLFBNL-UHFFFAOYSA-N -1 0 328.846 3.566 20 0 EHADRM CCC(CC)(CNC(=O)C[C@H](C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000431797076 1035543703 /nfs/dbraw/zinc/54/37/03/1035543703.db2.gz VTMRCBQLRTWCPQ-CYBMUJFWSA-N -1 0 339.863 3.916 20 0 EHADRM CC1(C)CN(CC(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)C1 ZINC000571533874 1035548241 /nfs/dbraw/zinc/54/82/41/1035548241.db2.gz CIUXUGFRPMAQNP-UHFFFAOYSA-N -1 0 337.634 3.633 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)C[C@H](C)c1ccccc1F ZINC000237534998 1035553913 /nfs/dbraw/zinc/55/39/13/1035553913.db2.gz PIOOKRYFNWWSNT-KBXCAEBGSA-N -1 0 343.398 3.960 20 0 EHADRM Cc1ccc(C)c(C(=O)NCCc2ccc(Cl)s2)c1C(=O)[O-] ZINC000319124255 1035554351 /nfs/dbraw/zinc/55/43/51/1035554351.db2.gz OJKLIOQECMTNIA-UHFFFAOYSA-N -1 0 337.828 3.689 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)COc1ccc2c(c1)CCCC2 ZINC000540706460 1035585453 /nfs/dbraw/zinc/58/54/53/1035585453.db2.gz NMJYVTJADQRHFN-UHFFFAOYSA-N -1 0 339.391 3.590 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCc1ccccc1Cl)C1CCCCC1 ZINC000540707173 1035587873 /nfs/dbraw/zinc/58/78/73/1035587873.db2.gz WPSAAXDRLOFAHJ-MRXNPFEDSA-N -1 0 337.847 3.812 20 0 EHADRM CC(C)(C)c1nc(CN=c2[n-]nc(Cc3cccc(F)c3)o2)cs1 ZINC000540707269 1035588083 /nfs/dbraw/zinc/58/80/83/1035588083.db2.gz QUJHVTSPZISZCV-UHFFFAOYSA-N -1 0 346.431 3.588 20 0 EHADRM COc1ccc([C@@H](C)CCNC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000173319835 1035593221 /nfs/dbraw/zinc/59/32/21/1035593221.db2.gz UCPLGAQOHPFCQN-LBPRGKRZSA-N -1 0 333.815 3.978 20 0 EHADRM CCN(CC)c1ccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000055528769 1035604608 /nfs/dbraw/zinc/60/46/08/1035604608.db2.gz LGMBPMSLWKNPPE-UHFFFAOYSA-N -1 0 335.407 3.627 20 0 EHADRM CC(C)C[C@H](CNC(=O)N(C)[C@H](C)c1cccc(Cl)c1)C(=O)[O-] ZINC000321302235 1035627569 /nfs/dbraw/zinc/62/75/69/1035627569.db2.gz CAUCRCVPGCBYCP-TZMCWYRMSA-N -1 0 340.851 3.789 20 0 EHADRM CCSc1ccccc1C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000540777055 1035670772 /nfs/dbraw/zinc/67/07/72/1035670772.db2.gz UCRVDXYQLQFEIG-UHFFFAOYSA-N -1 0 335.469 3.954 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000540774823 1035671731 /nfs/dbraw/zinc/67/17/31/1035671731.db2.gz BKLRMYROONMTQF-OAHLLOKOSA-N -1 0 339.476 3.656 20 0 EHADRM CCCc1nc(=NC(=O)CCc2cccc(C(F)(F)F)c2)s[n-]1 ZINC000463700604 1035752351 /nfs/dbraw/zinc/75/23/51/1035752351.db2.gz YHECCFHHYCZOEA-UHFFFAOYSA-N -1 0 343.374 3.503 20 0 EHADRM COc1cccc(OC)c1S(=O)(=O)[N-]c1ccc2occ(C)c2c1 ZINC000187080467 1035769820 /nfs/dbraw/zinc/76/98/20/1035769820.db2.gz BGKUIOLBQDQAJH-UHFFFAOYSA-N -1 0 347.392 3.559 20 0 EHADRM COc1ccc([C@H](C)NC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)cc1 ZINC000588176609 1035801484 /nfs/dbraw/zinc/80/14/84/1035801484.db2.gz JKLBPWSBSJOZHQ-VBKZILBWSA-N -1 0 347.455 3.934 20 0 EHADRM CCCCOCC(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000534940959 1035815050 /nfs/dbraw/zinc/81/50/50/1035815050.db2.gz IIHSRQDPSMZCMD-UHFFFAOYSA-N -1 0 336.613 3.563 20 0 EHADRM Cc1cc(Br)c(CN=c2[n-]nc(C3CC3)s2)s1 ZINC000571981076 1035860015 /nfs/dbraw/zinc/86/00/15/1035860015.db2.gz AJNWRCKZUUJCRG-UHFFFAOYSA-N -1 0 330.276 3.582 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)CCCc2ccc3c(c2)CCCC3)C1 ZINC000653277869 1035849555 /nfs/dbraw/zinc/84/95/55/1035849555.db2.gz YXRQBTGGVMWFNO-KRWDZBQOSA-N -1 0 343.467 3.601 20 0 EHADRM Cc1ccc(C(=O)N=c2[n-]nc([C@H]3CCCO3)s2)c2ccccc12 ZINC000636360488 1035871628 /nfs/dbraw/zinc/87/16/28/1035871628.db2.gz WESQCAPNWDOESV-OAHLLOKOSA-N -1 0 339.420 3.525 20 0 EHADRM O=S(=O)([N-]c1cccc(OC(F)(F)F)c1)c1ccccc1F ZINC000024429606 1035907000 /nfs/dbraw/zinc/90/70/00/1035907000.db2.gz XJGIZLVGEVTXOF-UHFFFAOYSA-N -1 0 335.278 3.525 20 0 EHADRM Cc1ccccc1C1(C(=O)N=c2nc(-c3ccccc3)[n-]s2)CC1 ZINC000588791161 1036023227 /nfs/dbraw/zinc/02/32/27/1036023227.db2.gz GUCKLWKYSHBSLX-UHFFFAOYSA-N -1 0 335.432 3.606 20 0 EHADRM CCOc1ccc(-c2nc(CN([C@H](C)C(=O)[O-])C3CC3)cs2)cc1 ZINC000263129431 1036265038 /nfs/dbraw/zinc/26/50/38/1036265038.db2.gz MWIKESRENOESQT-GFCCVEGCSA-N -1 0 346.452 3.646 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2F)c(C)c1 ZINC000589148597 1036278240 /nfs/dbraw/zinc/27/82/40/1036278240.db2.gz JGSCAIKEKAYSNE-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM c1ccc(-c2noc(=NCCCc3nc4c(s3)CCCC4)[n-]2)cc1 ZINC000589150336 1036281298 /nfs/dbraw/zinc/28/12/98/1036281298.db2.gz KHWSVOSSAXZPFI-UHFFFAOYSA-N -1 0 340.452 3.539 20 0 EHADRM Cc1ccc(-c2ccc(C)c(NC(=O)N3CC[C@](C)(C(=O)[O-])C3)c2)o1 ZINC000263131944 1036285711 /nfs/dbraw/zinc/28/57/11/1036285711.db2.gz YJLUHTPRKTXCLB-IBGZPJMESA-N -1 0 342.395 3.892 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2nc3ccccc3s2)c(C)c1 ZINC000589262980 1036327008 /nfs/dbraw/zinc/32/70/08/1036327008.db2.gz BAVIXJOHSXHEJJ-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM CN=c1[n-]nc(SCc2ccc(OCc3ccccc3)cc2)s1 ZINC000589273393 1036336834 /nfs/dbraw/zinc/33/68/34/1036336834.db2.gz RHIJJRDLASNUGT-UHFFFAOYSA-N -1 0 343.477 3.873 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000376374713 1036353777 /nfs/dbraw/zinc/35/37/77/1036353777.db2.gz FSHJDQSGXXFLBA-AWEZNQCLSA-N -1 0 342.153 3.780 20 0 EHADRM Cc1nc(=NC(=O)c2cc3sc4ccccc4c3s2)s[n-]1 ZINC000464421612 1036441406 /nfs/dbraw/zinc/44/14/06/1036441406.db2.gz RHRUNCOKIJNAGA-UHFFFAOYSA-N -1 0 331.447 3.950 20 0 EHADRM CC(C)n1cc([C@@H](C)N=c2[n-]nc(Cc3ccc(F)cc3)s2)cn1 ZINC000541579251 1036451798 /nfs/dbraw/zinc/45/17/98/1036451798.db2.gz TXDAURGIVZQBIY-GFCCVEGCSA-N -1 0 345.447 3.640 20 0 EHADRM CC(C)Cc1nnc(NC(=O)Nc2ccc(O)c(Cl)c2)s1 ZINC000192169347 1036481751 /nfs/dbraw/zinc/48/17/51/1036481751.db2.gz FEHNPXUFXZDRDE-UHFFFAOYSA-N -1 0 326.809 3.740 20 0 EHADRM Cc1cc(Cl)c(C(=O)[O-])cc1NS(=O)(=O)CC1CCCCC1 ZINC000572697669 1036483198 /nfs/dbraw/zinc/48/31/98/1036483198.db2.gz JXDGCYQMNSCDEB-UHFFFAOYSA-N -1 0 345.848 3.669 20 0 EHADRM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1nc(C(=O)[O-])co1 ZINC000572774110 1036515436 /nfs/dbraw/zinc/51/54/36/1036515436.db2.gz TVVLVKZLZIVRQF-QMMMGPOBSA-N -1 0 329.183 3.873 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnc(C(F)(F)F)cc2C)cc1F ZINC000685902450 1036520773 /nfs/dbraw/zinc/52/07/73/1036520773.db2.gz RXRWKLDSOZQOBD-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2cccc3c2OCCC3)cc1 ZINC000464547494 1036541278 /nfs/dbraw/zinc/54/12/78/1036541278.db2.gz JGOJGFAMHDADSL-UHFFFAOYSA-N -1 0 335.450 3.534 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cccc3cccnc32)c2cccnc12 ZINC000193125954 1036564905 /nfs/dbraw/zinc/56/49/05/1036564905.db2.gz FJHMJPJDNTYHJC-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1cc2ccccc2o1 ZINC000176245170 1036587248 /nfs/dbraw/zinc/58/72/48/1036587248.db2.gz PHVLWOYCAURXBB-LLVKDONJSA-N -1 0 349.346 3.518 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)n1 ZINC000176267890 1036591439 /nfs/dbraw/zinc/59/14/39/1036591439.db2.gz LVGPTCJDHALHRB-SWLSCSKDSA-N -1 0 345.418 3.676 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)C[C@@H]2CCCCC2(C)C)c1OC ZINC000263219274 1036644219 /nfs/dbraw/zinc/64/42/19/1036644219.db2.gz YJOBUEYWHYRNKA-ZDUSSCGKSA-N -1 0 349.427 3.947 20 0 EHADRM O=C(N=c1nc(-c2cccc(Cl)c2)[n-]s1)N[C@@H]1C=CCCC1 ZINC000541798603 1036654426 /nfs/dbraw/zinc/65/44/26/1036654426.db2.gz MUWCISYMKOZQGB-GFCCVEGCSA-N -1 0 334.832 3.511 20 0 EHADRM CN(Cc1ccco1)C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000541796542 1036654812 /nfs/dbraw/zinc/65/48/12/1036654812.db2.gz KAGFPOCZUUNGMB-UHFFFAOYSA-N -1 0 348.815 3.537 20 0 EHADRM CCC[C@@H](CNC(=O)CCCc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000263230229 1036657160 /nfs/dbraw/zinc/65/71/60/1036657160.db2.gz SAMKAEYFVMHLLH-ZDUSSCGKSA-N -1 0 345.361 3.645 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CCC(=O)N=c2nc(C(C)(C)C)[n-]s2)o1 ZINC000589937342 1036667397 /nfs/dbraw/zinc/66/73/97/1036667397.db2.gz LCMOLNFDHQFQPF-ZYHUDNBSSA-N -1 0 333.457 3.545 20 0 EHADRM Fc1cc(CN=c2[n-]nc(-c3cccs3)o2)cc(C(F)(F)F)c1 ZINC000541832532 1036685476 /nfs/dbraw/zinc/68/54/76/1036685476.db2.gz KFWWETUFLOWXAA-UHFFFAOYSA-N -1 0 343.305 3.990 20 0 EHADRM CC(C)(C)c1nn(-c2ccccc2)cc1/C=C\c1cc(C(=O)[O-])ncn1 ZINC000535591876 1036693558 /nfs/dbraw/zinc/69/35/58/1036693558.db2.gz GVCYMXSQCBGDGO-KTKRTIGZSA-N -1 0 348.406 3.828 20 0 EHADRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N(CC(C)C)CC(C)C)n2)c1 ZINC000539423886 1036743758 /nfs/dbraw/zinc/74/37/58/1036743758.db2.gz IHHQMUJYTQZPOR-UHFFFAOYSA-N -1 0 347.434 3.780 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCCc1ccc2ccccc2c1 ZINC000263293985 1036758038 /nfs/dbraw/zinc/75/80/38/1036758038.db2.gz ZEIZVZHALKVWHX-KXBFYZLASA-N -1 0 339.435 3.874 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@H]2SCCc3sccc32)c1 ZINC000263364087 1036820617 /nfs/dbraw/zinc/82/06/17/1036820617.db2.gz ZGBGSCVPOHVYBH-BONVTDFDSA-N -1 0 347.461 3.905 20 0 EHADRM Cc1cc(Cl)nc(CNC(=O)c2c([O-])cc(Cl)cc2Cl)c1 ZINC000800575518 1036826291 /nfs/dbraw/zinc/82/62/91/1036826291.db2.gz XUMOKTNOFBOTKO-UHFFFAOYSA-N -1 0 345.613 3.986 20 0 EHADRM CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1cccc(C)c1F ZINC000541935117 1036862624 /nfs/dbraw/zinc/86/26/24/1036862624.db2.gz GPNLKJDSIIUFKF-UHFFFAOYSA-N -1 0 339.436 3.630 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)[N-]OCc2cccnc2)ccc1C(C)C ZINC000152482092 1036898012 /nfs/dbraw/zinc/89/80/12/1036898012.db2.gz LLUIFGFOSYZMCY-OAHLLOKOSA-N -1 0 328.412 3.529 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)s1 ZINC000132921627 1036913462 /nfs/dbraw/zinc/91/34/62/1036913462.db2.gz OJGKRDPVCJEIPV-UHFFFAOYSA-N -1 0 337.466 3.877 20 0 EHADRM C[C@@H]1CC[C@]2(CCN(C(=O)N=c3[n-]nc(-c4ccsc4)s3)C2)C1 ZINC000541972617 1036924547 /nfs/dbraw/zinc/92/45/47/1036924547.db2.gz NICKFYVSUSCOBF-BZNIZROVSA-N -1 0 348.497 3.733 20 0 EHADRM C[C@@H]1CC[C@]2(CCN(C(=O)N=c3ccc(-c4ccccc4)n[n-]3)C2)C1 ZINC000541972583 1036925103 /nfs/dbraw/zinc/92/51/03/1036925103.db2.gz LLVVFAOTABBBPR-QRWLVFNGSA-N -1 0 336.439 3.610 20 0 EHADRM CC(C)(CC(=O)N[C@@H](CC(=O)[O-])C1CCCCC1)c1ccccc1 ZINC000539603769 1036967761 /nfs/dbraw/zinc/96/77/61/1036967761.db2.gz WOCRODVSUFLQCJ-KRWDZBQOSA-N -1 0 331.456 3.894 20 0 EHADRM CC(C)c1ccccc1OCC(=O)N[C@H](CC(=O)[O-])C1CCCCC1 ZINC000539605032 1036969331 /nfs/dbraw/zinc/96/93/31/1036969331.db2.gz KWOSBSVZZUJDLM-QGZVFWFLSA-N -1 0 347.455 3.729 20 0 EHADRM O=S(=O)([N-]c1cccc2oc(C(F)(F)F)nc21)c1ccccc1 ZINC000178331811 1037025415 /nfs/dbraw/zinc/02/54/15/1037025415.db2.gz QXXFSEDEBBTZQO-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM C[C@H](Oc1ccc(/C=C\c2ccc3cccc(O)c3n2)cc1)C(=O)[O-] ZINC000504712268 1037033542 /nfs/dbraw/zinc/03/35/42/1037033542.db2.gz NWQYAIPOSSXKLK-QGOGUYACSA-N -1 0 335.359 3.963 20 0 EHADRM O=c1nc(CN2CCC[C@H]2c2cccc(Cl)c2)[n-]c2ccsc21 ZINC000053157512 1037050370 /nfs/dbraw/zinc/05/03/70/1037050370.db2.gz WIOTUDUTPKHVFV-AWEZNQCLSA-N -1 0 345.855 3.975 20 0 EHADRM CC[C@@H](CC(=O)NCCc1cccc(C(=O)[O-])c1)c1ccc(C)cc1 ZINC000539677989 1037072621 /nfs/dbraw/zinc/07/26/21/1037072621.db2.gz RBBYLQMSMVSYER-KRWDZBQOSA-N -1 0 339.435 3.936 20 0 EHADRM Fc1ccc(Cc2n[n-]c(=NCc3ccc(Cl)c(F)c3)o2)cc1 ZINC000539694210 1037085349 /nfs/dbraw/zinc/08/53/49/1037085349.db2.gz XNHYTKSXPLHLFS-UHFFFAOYSA-N -1 0 335.741 3.626 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cc1 ZINC000542134954 1037111501 /nfs/dbraw/zinc/11/15/01/1037111501.db2.gz LYLBYLHRXBWPSE-RYLXDESZSA-N -1 0 341.451 3.627 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 ZINC000263557892 1037128083 /nfs/dbraw/zinc/12/80/83/1037128083.db2.gz ZRSGESWIDXWMRM-HIFRSBDPSA-N -1 0 349.324 3.722 20 0 EHADRM CCN(CC)c1ccc(C(=O)Nc2cc(C(C)=O)ccc2[O-])cc1 ZINC000539749889 1037138176 /nfs/dbraw/zinc/13/81/76/1037138176.db2.gz HBTZFNMSVGLXTE-UHFFFAOYSA-N -1 0 326.396 3.693 20 0 EHADRM C/C=C/c1ccc([N-]S(=O)(=O)c2c(C(F)F)c(C)nn2C)cc1 ZINC000414382026 1037180902 /nfs/dbraw/zinc/18/09/02/1037180902.db2.gz JSECEIGIJLEJQB-SNAWJCMRSA-N -1 0 341.383 3.500 20 0 EHADRM COc1ccccc1OCCCN=c1[n-]nc(-c2ccccc2)s1 ZINC000591018544 1037190378 /nfs/dbraw/zinc/19/03/78/1037190378.db2.gz WRWIPSFZOZBDAX-UHFFFAOYSA-N -1 0 341.436 3.517 20 0 EHADRM C[C@H]1CC[C@H](CNC(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)C1 ZINC000666545981 1037202673 /nfs/dbraw/zinc/20/26/73/1037202673.db2.gz ITPALNYSIHCKEV-GJZGRUSLSA-N -1 0 344.455 3.710 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)NCCC2(F)CCC2)CC1 ZINC000666547908 1037205549 /nfs/dbraw/zinc/20/55/49/1037205549.db2.gz STQLDVOFJHFYQV-UHFFFAOYSA-N -1 0 348.418 3.556 20 0 EHADRM CC(C)(C)[C@@H]1CCCN1C(=O)c1cccc(Br)c1[O-] ZINC000539872522 1037209312 /nfs/dbraw/zinc/20/93/12/1037209312.db2.gz BSLSLBKSNGIWGT-LBPRGKRZSA-N -1 0 326.234 3.805 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000089287243 1037210339 /nfs/dbraw/zinc/21/03/39/1037210339.db2.gz RXPWGNPZMBZNAN-GHMZBOCLSA-N -1 0 334.224 3.569 20 0 EHADRM CN(C(=O)NCc1cccc(C(=O)[O-])c1)[C@H]1CCCc2ccccc21 ZINC000666566434 1037214132 /nfs/dbraw/zinc/21/41/32/1037214132.db2.gz NQHKOJGUWRGJRZ-SFHVURJKSA-N -1 0 338.407 3.604 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)N(Cc2ccco2)C2CCCC2)c1 ZINC000666566269 1037214570 /nfs/dbraw/zinc/21/45/70/1037214570.db2.gz KWMWMBPXEPHDBM-UHFFFAOYSA-N -1 0 342.395 3.632 20 0 EHADRM CCc1ccc(O)c(C(=O)N2CCC[C@@H]2Cc2cccc(F)c2)c1 ZINC000539841172 1037268828 /nfs/dbraw/zinc/26/88/28/1037268828.db2.gz SGCZAXRJYFSFIG-QGZVFWFLSA-N -1 0 327.399 3.941 20 0 EHADRM CC(C)OCc1cccc(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)c1 ZINC000659122771 1037305105 /nfs/dbraw/zinc/30/51/05/1037305105.db2.gz XWBYEZQBMOLOBO-UHFFFAOYSA-N -1 0 331.412 3.585 20 0 EHADRM CN(Cc1nc2ccccc2s1)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000176973489 1037307150 /nfs/dbraw/zinc/30/71/50/1037307150.db2.gz OEEBDKACPYDWRI-UHFFFAOYSA-N -1 0 334.347 3.552 20 0 EHADRM Cc1ccc([C@@H]2CCN(C(=O)N=c3nc(C(C)(C)C)[n-]s3)C2)cc1 ZINC000542376524 1037332032 /nfs/dbraw/zinc/33/20/32/1037332032.db2.gz NRZZUHYSFLSRMH-CQSZACIVSA-N -1 0 344.484 3.587 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)NCc1ccc(C)cc1OC(C)(C)C ZINC000659140588 1037357707 /nfs/dbraw/zinc/35/77/07/1037357707.db2.gz PXRHBLDJRQPQHT-UHFFFAOYSA-N -1 0 345.395 3.702 20 0 EHADRM CCCN(CCc1cccc(F)c1)C(=O)c1cc(C(=O)[O-])oc1C ZINC000659140650 1037357749 /nfs/dbraw/zinc/35/77/49/1037357749.db2.gz SBSBYIFJGQGEHE-UHFFFAOYSA-N -1 0 333.359 3.520 20 0 EHADRM Cc1nc(CNC(=O)C2CC(C)(C)CC(C)(C)C2)sc1C(=O)[O-] ZINC000659142260 1037364034 /nfs/dbraw/zinc/36/40/34/1037364034.db2.gz DSFCVFYGEHQKDV-UHFFFAOYSA-N -1 0 338.473 3.618 20 0 EHADRM Cc1coc(-c2cccc(NC(=O)C3(C(=O)[O-])CC4(CCC4)C3)c2)n1 ZINC000659147092 1037370206 /nfs/dbraw/zinc/37/02/06/1037370206.db2.gz IHXOKWNVWDJSRJ-UHFFFAOYSA-N -1 0 340.379 3.624 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c(O)c1 ZINC000539941098 1037378323 /nfs/dbraw/zinc/37/83/23/1037378323.db2.gz JGSJUVKIZCSZRU-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM Cc1ccc([C@@H]2C[C@H]2C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cc1C ZINC000659145422 1037380116 /nfs/dbraw/zinc/38/01/16/1037380116.db2.gz KUCAJHRCSLWHQC-RCCFBDPRSA-N -1 0 335.403 3.622 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)NC1(c2cccc(Cl)c2)CCC1 ZINC000659164583 1037397009 /nfs/dbraw/zinc/39/70/09/1037397009.db2.gz VTAVXOPAVCOFSC-UHFFFAOYSA-N -1 0 333.771 3.749 20 0 EHADRM O=S(=O)([N-][C@@H](c1ccccc1)C1CCC1)c1c(F)cccc1F ZINC000591392759 1037401016 /nfs/dbraw/zinc/40/10/16/1037401016.db2.gz ZCKVHFJKZTVOEU-INIZCTEOSA-N -1 0 337.391 3.785 20 0 EHADRM Cc1cc(F)ccc1C[C@@H](C)NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000659165353 1037401390 /nfs/dbraw/zinc/40/13/90/1037401390.db2.gz AMFFAHWSCRXBOR-CQSZACIVSA-N -1 0 343.398 3.512 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NCc2ccc(-c3cccs3)cc2)C1 ZINC000659170291 1037413114 /nfs/dbraw/zinc/41/31/14/1037413114.db2.gz LJTJGNFMICVGMJ-CVEARBPZSA-N -1 0 343.448 3.922 20 0 EHADRM CC(C)[C@@H](NC(=O)c1cccc(CC(=O)[O-])c1)c1ccccc1F ZINC000659179639 1037424301 /nfs/dbraw/zinc/42/43/01/1037424301.db2.gz NCZBMMWNHKVUKV-GOSISDBHSA-N -1 0 329.371 3.580 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)[C@H](C)c2ccc(CC)cc2)n1 ZINC000659188924 1037440430 /nfs/dbraw/zinc/44/04/30/1037440430.db2.gz WYYQCUDKDZYCHB-CZUORRHYSA-N -1 0 343.427 3.614 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2cc3cc(C)ccc3o2)n1 ZINC000659188974 1037441595 /nfs/dbraw/zinc/44/15/95/1037441595.db2.gz XFDLBKRQERZBOM-CYBMUJFWSA-N -1 0 341.367 3.616 20 0 EHADRM Cc1cc(C)cc(CNC(=O)c2ccccc2S[C@H](C)C(=O)[O-])c1 ZINC000659189442 1037443182 /nfs/dbraw/zinc/44/31/82/1037443182.db2.gz MTIBVXXEMOEPGV-CQSZACIVSA-N -1 0 343.448 3.799 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2ccc(C)c(Cl)c2)n1 ZINC000659186555 1037449356 /nfs/dbraw/zinc/44/93/56/1037449356.db2.gz YCLUOPCEPNYOHK-ZDUSSCGKSA-N -1 0 335.791 3.523 20 0 EHADRM CCC[C@@H](C(=O)Nc1ccn([C@H](CCC)C(=O)[O-])n1)c1ccccc1 ZINC000659186677 1037449788 /nfs/dbraw/zinc/44/97/88/1037449788.db2.gz ZUJHYKZHQKBBIW-HZPDHXFCSA-N -1 0 343.427 3.831 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)C[C@@H]2CCc3ccccc32)[C@H]2CCCC[C@@H]12 ZINC000659197161 1037456543 /nfs/dbraw/zinc/45/65/43/1037456543.db2.gz YWQAJRFKKOWRAX-KANFNMMFSA-N -1 0 341.451 3.598 20 0 EHADRM C[C@@](CCF)(NC(=O)CCCc1csc2ccccc12)C(=O)[O-] ZINC000659215900 1037494159 /nfs/dbraw/zinc/49/41/59/1037494159.db2.gz LIOJKKMVJIURIJ-KRWDZBQOSA-N -1 0 337.416 3.543 20 0 EHADRM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000557950386 1037513620 /nfs/dbraw/zinc/51/36/20/1037513620.db2.gz GMIYDZMFQKAIDY-SSDOTTSWSA-N -1 0 345.704 3.869 20 0 EHADRM C[C@@H](C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)c1c(Cl)cccc1Cl ZINC000659224270 1037520258 /nfs/dbraw/zinc/52/02/58/1037520258.db2.gz IQUFVSJKILUKFG-MXWKQRLJSA-N -1 0 344.238 3.666 20 0 EHADRM Cc1cc(C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)sc1-c1ccccc1 ZINC000659231045 1037542480 /nfs/dbraw/zinc/54/24/80/1037542480.db2.gz DJFRGPCORKVJLY-OKILXGFUSA-N -1 0 329.421 3.659 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000591690202 1037556166 /nfs/dbraw/zinc/55/61/66/1037556166.db2.gz GOMRZQHAKHGBBX-BBWFWOEESA-N -1 0 347.842 3.964 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)CCCc1csc2ccccc12 ZINC000659239031 1037556552 /nfs/dbraw/zinc/55/65/52/1037556552.db2.gz QPDLVGUCVXCGQW-LPHOPBHVSA-N -1 0 345.464 3.984 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1ccccc1Cc1ccccc1 ZINC000659234151 1037558244 /nfs/dbraw/zinc/55/82/44/1037558244.db2.gz HPYZKWIGYIAWDE-RXVVDRJESA-N -1 0 337.419 3.651 20 0 EHADRM CCC[C@@](C)(NC(=O)Nc1ccc(CC(F)(F)F)cc1)C(=O)[O-] ZINC000573473255 1037579948 /nfs/dbraw/zinc/57/99/48/1037579948.db2.gz GVWYLYBTBLQLRH-CQSZACIVSA-N -1 0 332.322 3.556 20 0 EHADRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000591797170 1037606959 /nfs/dbraw/zinc/60/69/59/1037606959.db2.gz MLZWACKBNJMLTI-UHFFFAOYSA-N -1 0 345.342 3.612 20 0 EHADRM COCc1cccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000026547245 1037615509 /nfs/dbraw/zinc/61/55/09/1037615509.db2.gz SELNXWLWLIJWNE-UHFFFAOYSA-N -1 0 345.342 3.653 20 0 EHADRM CC(C)Cc1cc(NS(=O)(=O)C=Cc2ccc(Cl)cc2)[nH]n1 ZINC000760894091 1037618289 /nfs/dbraw/zinc/61/82/89/1037618289.db2.gz LGASNTKAIRGZDS-FPLPWBNLSA-N -1 0 339.848 3.674 20 0 EHADRM CCCCCC(C)(C)C(=O)[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000761469828 1037632389 /nfs/dbraw/zinc/63/23/89/1037632389.db2.gz MFDHJWUQRWMBAH-UHFFFAOYSA-N -1 0 347.427 3.685 20 0 EHADRM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000491755736 1037666686 /nfs/dbraw/zinc/66/66/86/1037666686.db2.gz GSDWTWNMOCUQLZ-RYUDHWBXSA-N -1 0 334.445 3.556 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)n1 ZINC000540206159 1037680710 /nfs/dbraw/zinc/68/07/10/1037680710.db2.gz MSDFPUWVHWZJOK-UHFFFAOYSA-N -1 0 340.470 3.684 20 0 EHADRM CC[C@H](Sc1n[n-]c(=NCCOC)s1)c1ccc(Cl)cc1 ZINC000494092127 1037813545 /nfs/dbraw/zinc/81/35/45/1037813545.db2.gz JHVZLXLFEFCTJD-LBPRGKRZSA-N -1 0 343.905 3.915 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)Cc2ccc3ccccc3c2)c2ccccc21 ZINC000669436182 1037867046 /nfs/dbraw/zinc/86/70/46/1037867046.db2.gz BOUIGUAQPZMUFG-LJQANCHMSA-N -1 0 345.398 3.987 20 0 EHADRM CCSc1n[n-]c(=NC(=O)NCc2ccc(C3CCC3)cc2)s1 ZINC000494199278 1037909455 /nfs/dbraw/zinc/90/94/55/1037909455.db2.gz UPXJYJJDGRNPAG-UHFFFAOYSA-N -1 0 348.497 3.661 20 0 EHADRM O=C([O-])c1sc2ccsc2c1CNC(=O)[C@@H]1CC12CCCC2 ZINC000532612332 1037914450 /nfs/dbraw/zinc/91/44/50/1037914450.db2.gz JLWCRCNQNJMNOL-JTQLQIEISA-N -1 0 335.450 3.858 20 0 EHADRM Cc1cc(F)c(S(=O)(=O)[N-]C(=O)C[C@H](C)CC(C)(C)C)cc1F ZINC000761473999 1037929541 /nfs/dbraw/zinc/92/95/41/1037929541.db2.gz QALUIWFRSVEKBX-JTQLQIEISA-N -1 0 347.427 3.541 20 0 EHADRM COc1ccc(C)cc1C(=O)/C=C/c1cccc(OCCC(=O)[O-])c1 ZINC000058464773 1037938970 /nfs/dbraw/zinc/93/89/70/1037938970.db2.gz BFYRTENOPFVMGM-BQYQJAHWSA-N -1 0 340.375 3.753 20 0 EHADRM CC(C)Oc1ccc(F)cc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000183551455 1037955048 /nfs/dbraw/zinc/95/50/48/1037955048.db2.gz HBFICONBSVMXDG-UHFFFAOYSA-N -1 0 343.276 3.988 20 0 EHADRM O=C(N[C@@H]1CCO[C@@H](c2cccs2)C1)c1ccc([O-])c(Cl)c1 ZINC000574015772 1037967215 /nfs/dbraw/zinc/96/72/15/1037967215.db2.gz OLYWEKSOZIYKSA-BXUZGUMPSA-N -1 0 337.828 3.757 20 0 EHADRM O=C([O-])C1CCN(C(=O)/C=C\c2sc3ccccc3c2Cl)CC1 ZINC000492141221 1038029960 /nfs/dbraw/zinc/02/99/60/1038029960.db2.gz UURPKGLDKVFROI-WAYWQWQTSA-N -1 0 349.839 3.891 20 0 EHADRM C[C@@H](c1ccco1)N(C(=O)/C=C\c1ccc(C(=O)[O-])cc1)C1CC1 ZINC000492153001 1038056176 /nfs/dbraw/zinc/05/61/76/1038056176.db2.gz FIBWXDJPLSXQMM-GXJZLWQJSA-N -1 0 325.364 3.743 20 0 EHADRM c1csc(-c2nc(CN=c3nc(C4CCCCC4)[n-]s3)no2)c1 ZINC000651345115 1038285621 /nfs/dbraw/zinc/28/56/21/1038285621.db2.gz GGMXNVLCIRQQOT-UHFFFAOYSA-N -1 0 347.469 3.731 20 0 EHADRM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])C1CCCCC1)c1cccc(Cl)c1 ZINC000538504763 1038347624 /nfs/dbraw/zinc/34/76/24/1038347624.db2.gz OOHCFQVWMDBOOV-WBMJQRKESA-N -1 0 337.847 3.983 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCSc1ccccc1)C1CCCCC1 ZINC000538505628 1038347932 /nfs/dbraw/zinc/34/79/32/1038347932.db2.gz GBHFILJVMQVVSX-MRXNPFEDSA-N -1 0 335.469 3.709 20 0 EHADRM CC(C)(C(=O)Nc1cc(Cl)c([O-])cc1F)C1CCC(O)CC1 ZINC000416235323 1038389790 /nfs/dbraw/zinc/38/97/90/1038389790.db2.gz SVRJIMUHTKYPDR-UHFFFAOYSA-N -1 0 329.799 3.701 20 0 EHADRM CC(C)CN=c1[n-]nc(SCC(=O)CCC2CCCC2)s1 ZINC000461407421 1038402809 /nfs/dbraw/zinc/40/28/09/1038402809.db2.gz OWHSZHOXSKPPJX-UHFFFAOYSA-N -1 0 327.519 3.660 20 0 EHADRM Cc1ncccc1/C=C/C(=O)c1cc(Br)cc(F)c1[O-] ZINC000181482886 1038424580 /nfs/dbraw/zinc/42/45/80/1038424580.db2.gz SFBDSABDPZIMOJ-SNAWJCMRSA-N -1 0 336.160 3.893 20 0 EHADRM COCC[C@H](N=c1[n-]nc(-c2ccccc2)s1)c1ccc(C)o1 ZINC000538669525 1038462708 /nfs/dbraw/zinc/46/27/08/1038462708.db2.gz IBTCQVFNQIJYHM-AWEZNQCLSA-N -1 0 329.425 3.718 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@H](c2ccccc2)C(C)C)cc1 ZINC000107944446 1038473799 /nfs/dbraw/zinc/47/37/99/1038473799.db2.gz IWQIJDCLXKIGSF-WMZHIEFXSA-N -1 0 329.465 3.616 20 0 EHADRM Cc1noc(-c2ccc(C)c(NC(=O)c3ccc(Cl)cc3[O-])c2)n1 ZINC000538742111 1038506280 /nfs/dbraw/zinc/50/62/80/1038506280.db2.gz QGGJWENWWIMNAA-UHFFFAOYSA-N -1 0 343.770 3.965 20 0 EHADRM CC(C)(C)c1ccc([C@H](O)CNC(=O)c2cc(O)ccc2Cl)cc1 ZINC000278824484 1038509223 /nfs/dbraw/zinc/50/92/23/1038509223.db2.gz JDWZXLSCOAZCTO-QGZVFWFLSA-N -1 0 347.842 3.807 20 0 EHADRM Cc1ccc(SCC(=O)NCC2(C(=O)[O-])CCCCC2)c(C)c1 ZINC000431866468 1038604784 /nfs/dbraw/zinc/60/47/84/1038604784.db2.gz GPLXQQYSCYYKGT-UHFFFAOYSA-N -1 0 335.469 3.547 20 0 EHADRM CCc1nc(=N[C@@H](COc2ccccc2)c2ccccc2)s[n-]1 ZINC000538925084 1038607196 /nfs/dbraw/zinc/60/71/96/1038607196.db2.gz HAKSTNOXFPILEQ-INIZCTEOSA-N -1 0 325.437 3.755 20 0 EHADRM O=C(Nc1cccc2ccccc21)c1c[n-]n(-c2ccc(F)cc2)c1=O ZINC000538952240 1038612591 /nfs/dbraw/zinc/61/25/91/1038612591.db2.gz CYUHWEJTVHABRD-KRWDZBQOSA-N -1 0 347.349 3.566 20 0 EHADRM C[C@@H](CC(=O)NCC1(C(=O)[O-])CCCCC1)Cc1cccc(F)c1 ZINC000431869472 1038630334 /nfs/dbraw/zinc/63/03/34/1038630334.db2.gz JWIKMKDYTDUZIZ-CQSZACIVSA-N -1 0 335.419 3.546 20 0 EHADRM C[C@@H]1CC(C(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)C[C@@H](C)O1 ZINC000416416133 1038651377 /nfs/dbraw/zinc/65/13/77/1038651377.db2.gz KEXKJKIRSWQUCL-CKEIUWERSA-N -1 0 339.476 3.510 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1scnc1-c1ccccc1 ZINC000539106461 1038676015 /nfs/dbraw/zinc/67/60/15/1038676015.db2.gz YSMXHKKTVYJWHO-UHFFFAOYSA-N -1 0 336.463 3.981 20 0 EHADRM CC[C@@H](c1n[n-]c(=NCc2ccc(COC)o2)s1)c1ccccc1 ZINC000554013326 1038803548 /nfs/dbraw/zinc/80/35/48/1038803548.db2.gz LDUGKYDRHSCGSB-MRXNPFEDSA-N -1 0 343.452 3.853 20 0 EHADRM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)c1ccc(C(C)(C)C)s1 ZINC000910302407 1038816025 /nfs/dbraw/zinc/81/60/25/1038816025.db2.gz FBGZKRVAAFFURC-UHFFFAOYSA-N -1 0 349.456 3.586 20 0 EHADRM Cc1noc(C)c1S(=O)(=O)N[C@H](c1ccccc1C)C(C)(C)C ZINC000431889998 1038816408 /nfs/dbraw/zinc/81/64/08/1038816408.db2.gz PAHYYGBAEHABNA-MRXNPFEDSA-N -1 0 336.457 3.666 20 0 EHADRM Cc1ccc([C@@H](NCc2cc(C(F)(F)F)co2)C(=O)[O-])cc1C ZINC000905380745 1038839027 /nfs/dbraw/zinc/83/90/27/1038839027.db2.gz NWWNMEPALFHBSA-CQSZACIVSA-N -1 0 327.302 3.831 20 0 EHADRM Cc1nc(C(F)(F)F)c(CN[C@@H](C(=O)[O-])c2ccccc2F)s1 ZINC000905378323 1038851922 /nfs/dbraw/zinc/85/19/22/1038851922.db2.gz KBMKIYBTTBLULX-LLVKDONJSA-N -1 0 348.321 3.525 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)CCc2ccc(F)cc2F)c2ccccc21 ZINC000910367491 1038866829 /nfs/dbraw/zinc/86/68/29/1038866829.db2.gz SHNSANNNEZMRFX-CYBMUJFWSA-N -1 0 345.345 3.503 20 0 EHADRM Cc1c2ccccc2nc(N2CC[C@H](c3ccncc3)C2)c1C(=O)[O-] ZINC000910373835 1038870268 /nfs/dbraw/zinc/87/02/68/1038870268.db2.gz KITDIOXTVUFRAP-HNNXBMFYSA-N -1 0 333.391 3.630 20 0 EHADRM Cc1c2cccc(Cl)c2[nH]c1C(=O)N1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000910398286 1038880006 /nfs/dbraw/zinc/88/00/06/1038880006.db2.gz MQSAIVHWYHJSDJ-SCLBCKFNSA-N -1 0 346.814 3.599 20 0 EHADRM O=C(c1nn(-c2ccccc2)cc1[O-])N1CCCC[C@@H]1c1ccccc1 ZINC000570016661 1038913864 /nfs/dbraw/zinc/91/38/64/1038913864.db2.gz SVIGPFHIPVARIP-GOSISDBHSA-N -1 0 347.418 3.945 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N1C[C@@H](F)C[C@H]1C(=O)[O-] ZINC000910448800 1038915974 /nfs/dbraw/zinc/91/59/74/1038915974.db2.gz JNKLUMIUEKHHPJ-WFASDCNBSA-N -1 0 341.338 3.532 20 0 EHADRM O=C([O-])C1(C(F)(F)F)CCN(c2nc3ccccc3s2)CC1 ZINC000910472281 1038928474 /nfs/dbraw/zinc/92/84/74/1038928474.db2.gz YMASESJDPSAFQU-UHFFFAOYSA-N -1 0 330.331 3.530 20 0 EHADRM Cc1ccsc1[C@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000910472296 1038930135 /nfs/dbraw/zinc/93/01/35/1038930135.db2.gz OICFQNDTDQXQKH-XUWVNRHRSA-N -1 0 341.432 3.589 20 0 EHADRM Cc1ccsc1[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000910472297 1038930632 /nfs/dbraw/zinc/93/06/32/1038930632.db2.gz OICFQNDTDQXQKH-YHUYYLMFSA-N -1 0 341.432 3.589 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1cc(Cl)c(Cl)n1C ZINC000910510322 1038938328 /nfs/dbraw/zinc/93/83/28/1038938328.db2.gz DWZWOPZAQKBAKM-UHFFFAOYSA-N -1 0 349.258 3.541 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CC1CC(OC(C)(C)C)C1 ZINC000910507449 1038951590 /nfs/dbraw/zinc/95/15/90/1038951590.db2.gz MUFQBYVSBWGOSW-UHFFFAOYSA-N -1 0 341.492 3.566 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N(C)Cc2cccc(C)c2C)s1 ZINC000432740168 1038983875 /nfs/dbraw/zinc/98/38/75/1038983875.db2.gz VMGHOUMFNORLTG-UHFFFAOYSA-N -1 0 332.473 3.583 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1sc(C(C)C)nc1C ZINC000910622561 1038992577 /nfs/dbraw/zinc/99/25/77/1038992577.db2.gz RWZDTQLJDDTUFC-UHFFFAOYSA-N -1 0 348.424 3.924 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CC2(CCC2)[C@@H]1c1cccnc1 ZINC000898406993 1038993109 /nfs/dbraw/zinc/99/31/09/1038993109.db2.gz XXJPDXYYFOWROB-INIZCTEOSA-N -1 0 328.799 3.808 20 0 EHADRM O=S(=O)([N-]c1cccc2c[nH]nc21)c1ccc(Cl)cc1Cl ZINC000485392412 1038994358 /nfs/dbraw/zinc/99/43/58/1038994358.db2.gz URDFXYJXTZQRSU-UHFFFAOYSA-N -1 0 342.207 3.671 20 0 EHADRM Cc1cc(C(=O)Nc2nc(CCC(=O)[O-])cs2)c(C)cc1Cl ZINC000910646193 1038999929 /nfs/dbraw/zinc/99/99/29/1038999929.db2.gz ROTDBUOAAWOZJG-UHFFFAOYSA-N -1 0 338.816 3.683 20 0 EHADRM Cc1cn(C2CCCCC2)nc1NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000910648714 1039002879 /nfs/dbraw/zinc/00/28/79/1039002879.db2.gz XRGFDYQENBLYBU-NTMALXAHSA-N -1 0 343.383 3.640 20 0 EHADRM CC[C@@H](C)n1ncc(NC(=O)c2cc(C)c(C(=O)[O-])o2)c1C1CC1 ZINC000910648672 1039003362 /nfs/dbraw/zinc/00/33/62/1039003362.db2.gz MRKKPWQFDNXNCW-SNVBAGLBSA-N -1 0 331.372 3.583 20 0 EHADRM CC(C)(CCC(=O)[O-])C(=O)Nc1nc(COc2ccccc2)cs1 ZINC000910685242 1039020403 /nfs/dbraw/zinc/02/04/03/1039020403.db2.gz PIGZXKADZMBJEC-UHFFFAOYSA-N -1 0 348.424 3.552 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2nc3c(s2)CCCCC3)c1 ZINC000195575406 1039049128 /nfs/dbraw/zinc/04/91/28/1039049128.db2.gz PIRAQECKYZVVIK-UHFFFAOYSA-N -1 0 340.445 3.660 20 0 EHADRM CC(C)(C)c1coc(CNCc2ccnc3c(C(=O)[O-])cccc23)n1 ZINC000905788395 1039117719 /nfs/dbraw/zinc/11/77/19/1039117719.db2.gz BRANHWIDQLURRH-UHFFFAOYSA-N -1 0 339.395 3.508 20 0 EHADRM Cc1c(NC(=O)c2ncc3ccccc3c2[O-])cnn1C1CCCC1 ZINC000614049162 1039126551 /nfs/dbraw/zinc/12/65/51/1039126551.db2.gz PJWAYECGXITRHC-UHFFFAOYSA-N -1 0 336.395 3.813 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)CCC[C@@H](O)c1ccccc1 ZINC000910957541 1039157642 /nfs/dbraw/zinc/15/76/42/1039157642.db2.gz BEHSYSKMOUHNQV-GOSISDBHSA-N -1 0 341.407 3.790 20 0 EHADRM CCOc1ccc(CC(=O)Nc2ccc(C(=O)[O-])cc2CC)cc1 ZINC000910963394 1039162054 /nfs/dbraw/zinc/16/20/54/1039162054.db2.gz YURSQSRHLYWVGF-UHFFFAOYSA-N -1 0 327.380 3.527 20 0 EHADRM CCC(CC)n1nc(C(=O)N(CC)c2cccc(C(=O)[O-])c2)cc1C ZINC000910967653 1039162485 /nfs/dbraw/zinc/16/24/85/1039162485.db2.gz PXAVFWOBRBCVQS-UHFFFAOYSA-N -1 0 343.427 3.918 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1sc([C@H](C)OC)nc1C ZINC000910963861 1039162890 /nfs/dbraw/zinc/16/28/90/1039162890.db2.gz BTKANIYNDRWKOA-JTQLQIEISA-N -1 0 348.424 3.672 20 0 EHADRM CSc1ccc(NC(=O)c2nc(C(C)C)oc2C)cc1C(=O)[O-] ZINC000910946321 1039167116 /nfs/dbraw/zinc/16/71/16/1039167116.db2.gz LLQQQOLMNIGKDU-UHFFFAOYSA-N -1 0 334.397 3.779 20 0 EHADRM CSc1ccc(NC(=O)C(C)(C)c2c(C)noc2C)cc1C(=O)[O-] ZINC000910946372 1039167773 /nfs/dbraw/zinc/16/77/73/1039167773.db2.gz NIGJFRPAFSGOAC-UHFFFAOYSA-N -1 0 348.424 3.628 20 0 EHADRM CC1(C)CCC(=CC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)CC2)CC1 ZINC000911019539 1039187111 /nfs/dbraw/zinc/18/71/11/1039187111.db2.gz HXSWBZXTAQWSCT-UHFFFAOYSA-N -1 0 347.377 3.769 20 0 EHADRM CC(C)CC1(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)CC2)CCCC1 ZINC000911022060 1039189346 /nfs/dbraw/zinc/18/93/46/1039189346.db2.gz HHOGFVHRNPXCEJ-UHFFFAOYSA-N -1 0 349.393 3.849 20 0 EHADRM CC1(C)C[C@H](c2ccccc2)CN1C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000911060354 1039219593 /nfs/dbraw/zinc/21/95/93/1039219593.db2.gz CUWQAOBEYPQRDL-ULQDDVLXSA-N -1 0 329.440 3.672 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000911119941 1039256312 /nfs/dbraw/zinc/25/63/12/1039256312.db2.gz KLXJOVBXZGKFIY-UHFFFAOYSA-N -1 0 342.395 3.919 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)NC[C@H]2CCCCC(F)(F)C2)s[n-]1 ZINC000432803789 1039269919 /nfs/dbraw/zinc/26/99/19/1039269919.db2.gz HOUZHBFOTQADIO-JTQLQIEISA-N -1 0 346.447 3.595 20 0 EHADRM O=S(=O)([N-]c1cscc1Cl)c1onc(C2CC2)c1Cl ZINC000906073210 1039293664 /nfs/dbraw/zinc/29/36/64/1039293664.db2.gz OPARYJGHIVRAIZ-UHFFFAOYSA-N -1 0 339.225 3.721 20 0 EHADRM CC(C)[C@H]1C[C@@H](CC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)CCO1 ZINC000911387656 1039340786 /nfs/dbraw/zinc/34/07/86/1039340786.db2.gz RGMZVODKJIURFH-YVEFUNNKSA-N -1 0 344.411 3.646 20 0 EHADRM C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000911391607 1039342276 /nfs/dbraw/zinc/34/22/76/1039342276.db2.gz WOFCSXQEUQIUQN-BZNIZROVSA-N -1 0 344.798 3.657 20 0 EHADRM Cc1ccc(OCCNC(=O)c2cc(F)c([O-])c(Cl)c2)c(C)c1 ZINC000554451390 1039345178 /nfs/dbraw/zinc/34/51/78/1039345178.db2.gz WAYCUTHAHSTQEU-UHFFFAOYSA-N -1 0 337.778 3.610 20 0 EHADRM Cc1ccccc1C1(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CCCC1 ZINC000485655808 1039360618 /nfs/dbraw/zinc/36/06/18/1039360618.db2.gz YMTAGJBTGWYUOC-UHFFFAOYSA-N -1 0 347.422 3.626 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1cc2cc(F)ccc2o1 ZINC000237612559 1039371591 /nfs/dbraw/zinc/37/15/91/1039371591.db2.gz MSMNSSLBUISBAI-OAHLLOKOSA-N -1 0 341.338 3.826 20 0 EHADRM Cc1nn(-c2nccs2)cc1-c1ccc(CC(C)(C)C(=O)[O-])cc1 ZINC000906201882 1039378943 /nfs/dbraw/zinc/37/89/43/1039378943.db2.gz HMCCFPSLWGZKLO-UHFFFAOYSA-N -1 0 341.436 3.958 20 0 EHADRM COc1cc(C(=O)N2CC(C)(C)[C@@H]2c2ccncc2)cc(Cl)c1O ZINC000554484056 1039380634 /nfs/dbraw/zinc/38/06/34/1039380634.db2.gz RSBCEFDFVAUPAU-INIZCTEOSA-N -1 0 346.814 3.673 20 0 EHADRM Cc1ccccc1CCNC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000237556516 1039385073 /nfs/dbraw/zinc/38/50/73/1039385073.db2.gz WAFHRDGXLYJTED-AWEZNQCLSA-N -1 0 343.448 3.533 20 0 EHADRM CC(C)n1ncc2cc(NC(=O)c3cc(F)c([O-])c(Cl)c3)cnc21 ZINC000554489339 1039395983 /nfs/dbraw/zinc/39/59/83/1039395983.db2.gz WACVDPUQYJTUFQ-UHFFFAOYSA-N -1 0 348.765 3.763 20 0 EHADRM O=C([O-])CCCC(=O)N1CCC(c2c(Cl)cccc2Cl)CC1 ZINC000911534047 1039399142 /nfs/dbraw/zinc/39/91/42/1039399142.db2.gz JXNZLXXYBDRVDB-UHFFFAOYSA-N -1 0 344.238 3.954 20 0 EHADRM COc1nc(C(F)(F)F)ccc1-c1ccc(OCC(=O)[O-])cc1C ZINC000906248352 1039409678 /nfs/dbraw/zinc/40/96/78/1039409678.db2.gz DVMTVGLQIRSDMX-UHFFFAOYSA-N -1 0 341.285 3.548 20 0 EHADRM Cc1cnn(-c2ccc(C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)cc2)c1 ZINC000237917583 1039452455 /nfs/dbraw/zinc/45/24/55/1039452455.db2.gz BQAGVQSVBWERDS-NYYWCZLTSA-N -1 0 347.374 3.531 20 0 EHADRM C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000911679904 1039454822 /nfs/dbraw/zinc/45/48/22/1039454822.db2.gz UMMRONXHNALWAI-VXGBXAGGSA-N -1 0 335.366 3.601 20 0 EHADRM Cc1cc(F)c(NC(=O)[C@H](c2cccnc2)C(C)C)cc1C(=O)[O-] ZINC000911686660 1039460841 /nfs/dbraw/zinc/46/08/41/1039460841.db2.gz NXXBJWQBGHMVHF-INIZCTEOSA-N -1 0 330.359 3.606 20 0 EHADRM COCc1nc(Sc2nc3cc(Cl)cc(Cl)c3o2)n[nH]1 ZINC000432829553 1039476301 /nfs/dbraw/zinc/47/63/01/1039476301.db2.gz OFWJYRRVJKQOMR-UHFFFAOYSA-N -1 0 331.184 3.550 20 0 EHADRM CC(C)Oc1c(NC(=O)CCCc2nccs2)cccc1C(=O)[O-] ZINC000911737982 1039479299 /nfs/dbraw/zinc/47/92/99/1039479299.db2.gz KRZPITAVQBFARQ-UHFFFAOYSA-N -1 0 348.424 3.590 20 0 EHADRM O=C(NC[C@@H]1CCCC(F)(F)C1)c1cccc(Br)c1[O-] ZINC000554580343 1039487428 /nfs/dbraw/zinc/48/74/28/1039487428.db2.gz YDVHXMGZFQTAGK-SECBINFHSA-N -1 0 348.187 3.710 20 0 EHADRM CC(C)Oc1c(NC(=O)C[C@H]2CCC3(CCC3)O2)cccc1C(=O)[O-] ZINC000911733414 1039491393 /nfs/dbraw/zinc/49/13/93/1039491393.db2.gz XGMIBVRFYNMUOY-CYBMUJFWSA-N -1 0 347.411 3.602 20 0 EHADRM CCc1ccc([C@H]2CCN(C(=O)CC3CCC(C(=O)[O-])CC3)C2)cc1 ZINC000911758585 1039506657 /nfs/dbraw/zinc/50/66/57/1039506657.db2.gz YUIDVOGBGPXQJC-KVZIAJEVSA-N -1 0 343.467 3.846 20 0 EHADRM CCC[C@](C)(NC(=O)N[C@@H](C)c1cccc2ccccc21)C(=O)[O-] ZINC000554599222 1039524419 /nfs/dbraw/zinc/52/44/19/1039524419.db2.gz VIGKIIZOQIAUKA-DJJJIMSYSA-N -1 0 328.412 3.843 20 0 EHADRM COCCC[C@@H](Cc1ccccc1)N=c1[n-]nc(C(C)(C)C)s1 ZINC000480555404 1039710973 /nfs/dbraw/zinc/71/09/73/1039710973.db2.gz ORYXYOSEFBKRJV-HNNXBMFYSA-N -1 0 333.501 3.707 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1cccc2ccccc21)Cc1ccccc1 ZINC000485936461 1039717415 /nfs/dbraw/zinc/71/74/15/1039717415.db2.gz RDTJMBNMHSYJRO-KRWDZBQOSA-N -1 0 333.387 3.513 20 0 EHADRM O=C(c1nn(-c2ccccc2)cc1[O-])N(CC1CCCCC1)C1CC1 ZINC000485974296 1039739614 /nfs/dbraw/zinc/73/96/14/1039739614.db2.gz CPGSRAGFTSNMFR-UHFFFAOYSA-N -1 0 339.439 3.763 20 0 EHADRM CC(C)N(C)c1ccc(/C=C/c2nc3c(cccc3C(=O)[O-])o2)cn1 ZINC000485986168 1039751957 /nfs/dbraw/zinc/75/19/57/1039751957.db2.gz PSZYJZQVCGVDBH-CSKARUKUSA-N -1 0 337.379 3.936 20 0 EHADRM CC(C)N(C)c1ccc(/C=C\c2nc3c(cccc3C(=O)[O-])o2)cn1 ZINC000485986169 1039752509 /nfs/dbraw/zinc/75/25/09/1039752509.db2.gz PSZYJZQVCGVDBH-NTMALXAHSA-N -1 0 337.379 3.936 20 0 EHADRM O=C([N-]Oc1ccc(F)cc1)C1(c2cccc(Cl)c2)CCOCC1 ZINC000912263280 1039765830 /nfs/dbraw/zinc/76/58/30/1039765830.db2.gz SETMZEQJBBLHOY-UHFFFAOYSA-N -1 0 349.789 3.638 20 0 EHADRM CN(C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-])c1cnn(C)c1 ZINC000156432915 1039885976 /nfs/dbraw/zinc/88/59/76/1039885976.db2.gz PWWHIHCOJMDGJN-UHFFFAOYSA-N -1 0 341.798 3.723 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)[C@@H]1CCOC2(CCCC2)C1 ZINC000907022602 1039888672 /nfs/dbraw/zinc/88/86/72/1039888672.db2.gz SGWDQSZOEDOUOA-LLVKDONJSA-N -1 0 332.425 3.794 20 0 EHADRM CC(C)(C)c1nc(=N[C@H](c2nccs2)c2ccccc2)s[n-]1 ZINC000489362069 1039901423 /nfs/dbraw/zinc/90/14/23/1039901423.db2.gz UIRPETWPOMUTRR-LBPRGKRZSA-N -1 0 330.482 3.916 20 0 EHADRM Cc1cc(-c2ncco2)ccc1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000554920353 1039930416 /nfs/dbraw/zinc/93/04/16/1039930416.db2.gz TWJKOHPZUCXQLK-UHFFFAOYSA-N -1 0 330.290 3.886 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1cnc(Cl)cc1C ZINC000188478970 1039973807 /nfs/dbraw/zinc/97/38/07/1039973807.db2.gz YDLWHVAYAKUHIE-UHFFFAOYSA-N -1 0 328.846 3.566 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NCc1ncc(C(F)(F)F)s1)c1ccccc1 ZINC000417557356 1040000296 /nfs/dbraw/zinc/00/02/96/1040000296.db2.gz BHCITJBNTDBFSR-ZANVPECISA-N -1 0 344.358 3.714 20 0 EHADRM Cc1cc(Cl)ccc1S(=O)(=O)N[C@](C)(C1CC1)C(F)(F)F ZINC000479152165 1040001592 /nfs/dbraw/zinc/00/15/92/1040001592.db2.gz GQVMQTQLWVOKKJ-GFCCVEGCSA-N -1 0 341.782 3.658 20 0 EHADRM O=C([O-])[C@@H](NCc1cnc(C2CCCC2)s1)c1ccc(F)cc1 ZINC000417570826 1040006106 /nfs/dbraw/zinc/00/61/06/1040006106.db2.gz MXKQVHAWWGOSMA-HNNXBMFYSA-N -1 0 334.416 3.855 20 0 EHADRM Cc1cccc([C@@H](NCc2cnc(C3CCC3)s2)C(=O)[O-])c1C ZINC000417570271 1040006532 /nfs/dbraw/zinc/00/65/32/1040006532.db2.gz VZRRXHCMCMREGO-MRXNPFEDSA-N -1 0 330.453 3.943 20 0 EHADRM CC(C)Oc1c(NCc2ccc([S@@](C)=O)cc2)cccc1C(=O)[O-] ZINC000417585967 1040036688 /nfs/dbraw/zinc/03/66/88/1040036688.db2.gz MOSBZQUEBIKXHI-XMMPIXPASA-N -1 0 347.436 3.522 20 0 EHADRM CCCOc1ccc(C(=O)[O-])cc1NCc1ncc(Cl)s1 ZINC000417606344 1040057628 /nfs/dbraw/zinc/05/76/28/1040057628.db2.gz DOWJAHNZFIOHRU-UHFFFAOYSA-N -1 0 326.805 3.896 20 0 EHADRM COc1cccc(CNc2ccc(C[C@H](C)C(=O)[O-])cc2)c1OC ZINC000417608185 1040060348 /nfs/dbraw/zinc/06/03/48/1040060348.db2.gz IDNAFZHNSVZZMB-ZDUSSCGKSA-N -1 0 329.396 3.579 20 0 EHADRM C[C@@H](CC(=O)[O-])c1ccc(NCc2cccc3c2OCCO3)cc1 ZINC000417611538 1040080410 /nfs/dbraw/zinc/08/04/10/1040080410.db2.gz PFGBZPFNMGYRBV-ZDUSSCGKSA-N -1 0 327.380 3.648 20 0 EHADRM CC[C@H](Cc1ccc(NCc2cnn(CC(C)C)c2)cc1)C(=O)[O-] ZINC000417614882 1040082593 /nfs/dbraw/zinc/08/25/93/1040082593.db2.gz WDXNZDFTZUEZDK-QGZVFWFLSA-N -1 0 329.444 3.805 20 0 EHADRM CC(=O)Nc1ccc(CNc2ccccc2CCCC(=O)[O-])cc1 ZINC000417614259 1040082872 /nfs/dbraw/zinc/08/28/72/1040082872.db2.gz BBROMJHARUILFP-UHFFFAOYSA-N -1 0 326.396 3.664 20 0 EHADRM COc1ccc(CNc2cc(CCC(=O)[O-])ccc2OC)c(Cl)c1 ZINC000417630228 1040090646 /nfs/dbraw/zinc/09/06/46/1040090646.db2.gz ULQBXWSHQKVJES-UHFFFAOYSA-N -1 0 349.814 3.987 20 0 EHADRM CC(C)=CCSC[C@@H](NCc1csc(C(C)(C)C)n1)C(=O)[O-] ZINC000417625030 1040100309 /nfs/dbraw/zinc/10/03/09/1040100309.db2.gz LIHLXEZKUUCIOZ-CYBMUJFWSA-N -1 0 342.530 3.683 20 0 EHADRM CCC1(C(=O)NC[C@H](Cc2cccc3ccccc32)C(=O)[O-])CCC1 ZINC000486400073 1040114591 /nfs/dbraw/zinc/11/45/91/1040114591.db2.gz DCSGSFSLWWQIFL-KRWDZBQOSA-N -1 0 339.435 3.780 20 0 EHADRM COc1ccc(N(C(=O)c2ncc(C)cc2[O-])[C@@H](C)C2CC2)cc1 ZINC000460198495 1040163486 /nfs/dbraw/zinc/16/34/86/1040163486.db2.gz OOFKEBJIGXWUIX-ZDUSSCGKSA-N -1 0 326.396 3.550 20 0 EHADRM C[C@H](C(=O)Nc1ccc2[n-]c(=S)oc2c1)n1cnc2ccccc21 ZINC000178645873 1040166233 /nfs/dbraw/zinc/16/62/33/1040166233.db2.gz DMXVTUNFVRCWET-SNVBAGLBSA-N -1 0 338.392 3.666 20 0 EHADRM CC[C@@H](C(=O)[O-])[S@@](=O)Cc1nc2c(s1)C(C)(C)CC(C)(C)C2 ZINC000899226553 1040188498 /nfs/dbraw/zinc/18/84/98/1040188498.db2.gz UJSAEXVMRNRAGN-SAHAZLINSA-N -1 0 343.514 3.505 20 0 EHADRM CCOc1ccc(CCC(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000236923393 1040205547 /nfs/dbraw/zinc/20/55/47/1040205547.db2.gz PFNYFHZFROZSBX-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM CC(C)c1ccc(C2(C(=O)[N-]OC[C@H]3CCOC3)CCCC2)cc1 ZINC000189243455 1040208282 /nfs/dbraw/zinc/20/82/82/1040208282.db2.gz DBAGWXQKUKLNIA-INIZCTEOSA-N -1 0 331.456 3.706 20 0 EHADRM Cc1cccc([C@@H](NC(=O)NCCCCCC(=O)[O-])C(F)(F)F)c1 ZINC000417770093 1040223569 /nfs/dbraw/zinc/22/35/69/1040223569.db2.gz GRESHXLEYNJWJR-CQSZACIVSA-N -1 0 346.349 3.543 20 0 EHADRM CCC(CC)(CC(=O)N(C)[C@@H](C)c1cc(F)ccc1F)C(=O)[O-] ZINC000321675497 1040233721 /nfs/dbraw/zinc/23/37/21/1040233721.db2.gz VHFPIJLMPGMZRE-NSHDSACASA-N -1 0 327.371 3.765 20 0 EHADRM Cc1cc(NC(=O)NCCCCCC(=O)[O-])ccc1-c1ccncc1 ZINC000417778604 1040233884 /nfs/dbraw/zinc/23/38/84/1040233884.db2.gz SWACSJDJTIQMMB-UHFFFAOYSA-N -1 0 341.411 3.824 20 0 EHADRM FC(F)(F)COc1ccccc1[N-]c1nnc([C@H]2CCCCO2)o1 ZINC000899246175 1040235315 /nfs/dbraw/zinc/23/53/15/1040235315.db2.gz DOUDLGQIRXJMKP-GFCCVEGCSA-N -1 0 343.305 3.996 20 0 EHADRM CC(C)[C@H](CN=c1[n-]nc(C2CCOCC2)s1)Cc1ccccc1 ZINC000555194255 1040269313 /nfs/dbraw/zinc/26/93/13/1040269313.db2.gz WLXBPVQUQVPXEA-KRWDZBQOSA-N -1 0 345.512 3.781 20 0 EHADRM CN(C(=O)c1cc(C2CC2)oc1C1CC1)c1cccc(CC(=O)[O-])c1 ZINC000908082565 1040280761 /nfs/dbraw/zinc/28/07/61/1040280761.db2.gz COTQEUJPOSZZNR-UHFFFAOYSA-N -1 0 339.391 3.938 20 0 EHADRM CC(C)CN(C)c1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000479486186 1040284391 /nfs/dbraw/zinc/28/43/91/1040284391.db2.gz LZFQMRNFMUJFOY-UHFFFAOYSA-N -1 0 344.386 3.868 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)N(C)c1cccc(CC(=O)[O-])c1 ZINC000908081000 1040289751 /nfs/dbraw/zinc/28/97/51/1040289751.db2.gz UVNBVRSICJODMQ-ZDUSSCGKSA-N -1 0 345.826 3.809 20 0 EHADRM CCCOc1ccccc1NC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000899309311 1040297414 /nfs/dbraw/zinc/29/74/14/1040297414.db2.gz YYQPEJVQIWPKOZ-AWEZNQCLSA-N -1 0 334.416 3.727 20 0 EHADRM O=C(C=CCc1cccc(F)c1)N=c1nc(-c2ccccc2)[n-]s1 ZINC000486657207 1040300934 /nfs/dbraw/zinc/30/09/34/1040300934.db2.gz MYCGRLNOOAFGOH-FNORWQNLSA-N -1 0 339.395 3.808 20 0 EHADRM Cc1nc2cc(NC(=O)N3CCCC[C@H]3CCC(=O)[O-])ccc2s1 ZINC000899311456 1040310243 /nfs/dbraw/zinc/31/02/43/1040310243.db2.gz MZXPZTYEGSYDMV-ZDUSSCGKSA-N -1 0 347.440 3.856 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Nc1cc(-c2ccccc2)on1 ZINC000899311266 1040311558 /nfs/dbraw/zinc/31/15/58/1040311558.db2.gz NIVIBTJFNBMFPE-CQSZACIVSA-N -1 0 343.383 3.593 20 0 EHADRM CCCC[C@@H](CC)CC(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC000908165189 1040314262 /nfs/dbraw/zinc/31/42/62/1040314262.db2.gz LUZPZTRNQKDVJW-GBRKPNRJSA-N -1 0 341.517 3.838 20 0 EHADRM Cc1cnc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)s1 ZINC000194545138 1040314494 /nfs/dbraw/zinc/31/44/94/1040314494.db2.gz NNSBFAMXDVKPQL-UHFFFAOYSA-N -1 0 337.253 3.700 20 0 EHADRM COc1cc(C)c(C)cc1NC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000899314383 1040316883 /nfs/dbraw/zinc/31/68/83/1040316883.db2.gz YMEXSHMTVMGTTA-AWEZNQCLSA-N -1 0 334.416 3.563 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)c(F)c1 ZINC000479545670 1040356172 /nfs/dbraw/zinc/35/61/72/1040356172.db2.gz WJNYQDWOJBQWBF-RYUDHWBXSA-N -1 0 335.281 3.544 20 0 EHADRM CC(C)c1ccsc1C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC000908245406 1040366819 /nfs/dbraw/zinc/36/68/19/1040366819.db2.gz GLKAGPPBZYGFDA-AWEZNQCLSA-N -1 0 331.437 3.687 20 0 EHADRM CSc1c(F)cc([N-]S(=O)(=O)c2c(C)cccc2F)cc1F ZINC000479558872 1040378945 /nfs/dbraw/zinc/37/89/45/1040378945.db2.gz YTECGRPNGXVOED-UHFFFAOYSA-N -1 0 347.383 3.935 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1sccc1C(F)F)CC1CCCC1 ZINC000908289015 1040383478 /nfs/dbraw/zinc/38/34/78/1040383478.db2.gz HCOTYNFMIRQYSH-SNVBAGLBSA-N -1 0 331.384 3.697 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)/C=C/c1ccc(F)c(Cl)c1 ZINC000390344400 1040391715 /nfs/dbraw/zinc/39/17/15/1040391715.db2.gz HEMSSYXMMJKRBT-SOFGYWHQSA-N -1 0 333.746 3.758 20 0 EHADRM Cc1oc2ccccc2c1C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908334605 1040397706 /nfs/dbraw/zinc/39/77/06/1040397706.db2.gz NOEFSNVCKDFDHE-UHFFFAOYSA-N -1 0 329.396 3.896 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)Cc2csc3ccccc23)CCC1 ZINC000908337395 1040399978 /nfs/dbraw/zinc/39/99/78/1040399978.db2.gz CMPFTYHUIRURTQ-UHFFFAOYSA-N -1 0 345.464 3.985 20 0 EHADRM CC(C)CCCCC(=O)Nc1ccc(-n2[n-]c(C3CC3)cc2=O)nc1 ZINC000912863837 1040417910 /nfs/dbraw/zinc/41/79/10/1040417910.db2.gz FCHJCTVTWBMZJS-UHFFFAOYSA-N -1 0 342.443 3.739 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)N[C@@H]2CC[C@H](CC(=O)[O-])C2)cc1 ZINC000908376337 1040420836 /nfs/dbraw/zinc/42/08/36/1040420836.db2.gz UQYLVSDMBJWAJP-NDIJEHHESA-N -1 0 329.440 3.973 20 0 EHADRM CC(C)(CC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1)CC(F)F ZINC000908605951 1040530734 /nfs/dbraw/zinc/53/07/34/1040530734.db2.gz CJCSNNQYVXCWGP-LBPRGKRZSA-N -1 0 331.334 3.529 20 0 EHADRM CSCCc1ccc(NC(=O)N[C@@H](CC=C(C)C)C(=O)[O-])cc1 ZINC000908619327 1040547701 /nfs/dbraw/zinc/54/77/01/1040547701.db2.gz APMFRIBYUFRTNC-HNNXBMFYSA-N -1 0 336.457 3.523 20 0 EHADRM C[C@@H](CCOCc1ccccc1)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000390405414 1040554554 /nfs/dbraw/zinc/55/45/54/1040554554.db2.gz YVYMTRGQBBYDHF-ZDUSSCGKSA-N -1 0 333.815 3.771 20 0 EHADRM C[C@@H]1CCC[C@H](N(C)C(=O)N=c2[n-]nc(/C=C\c3ccco3)s2)C1 ZINC000486922413 1040555996 /nfs/dbraw/zinc/55/59/96/1040555996.db2.gz AWWFGXBBOBXZOK-MPBQIQEOSA-N -1 0 346.456 3.766 20 0 EHADRM Cc1cccc(-c2cccc(C(=O)N3CCC4(C[C@@H]4C(=O)[O-])CC3)c2)c1 ZINC000908661788 1040562769 /nfs/dbraw/zinc/56/27/69/1040562769.db2.gz VOQAJVYEQSYBPK-LJQANCHMSA-N -1 0 349.430 3.989 20 0 EHADRM CCc1csc(NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)n1 ZINC000908664385 1040565893 /nfs/dbraw/zinc/56/58/93/1040565893.db2.gz ARMXTOQWIBWONL-KBPBESRZSA-N -1 0 345.424 3.528 20 0 EHADRM Cc1c2occ(CC(=O)N3CCC(CC(=O)[O-])CC3)c2ccc1Cl ZINC000908680406 1040570236 /nfs/dbraw/zinc/57/02/36/1040570236.db2.gz WDGYLZHIIQOMDH-UHFFFAOYSA-N -1 0 349.814 3.650 20 0 EHADRM c1sc(-c2ccccc2)nc1CN=c1[n-]nc(Cc2ccccc2)o1 ZINC000479771122 1040607237 /nfs/dbraw/zinc/60/72/37/1040607237.db2.gz HDKLGFRSUZXPAU-UHFFFAOYSA-N -1 0 348.431 3.818 20 0 EHADRM CCCCOc1ccc(CN=c2[n-]nc(Cc3ccccc3)o2)cc1 ZINC000479781551 1040618590 /nfs/dbraw/zinc/61/85/90/1040618590.db2.gz UCNAXROTNDARNR-UHFFFAOYSA-N -1 0 337.423 3.873 20 0 EHADRM O=C([O-])C12CCC(C(=O)NC[C@@H]3CCCc4ccccc43)(CC1)CC2 ZINC000908726794 1040628063 /nfs/dbraw/zinc/62/80/63/1040628063.db2.gz LWEJOBLOAJKGSP-ATIQYGATSA-N -1 0 341.451 3.648 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N[C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000908788940 1040649874 /nfs/dbraw/zinc/64/98/74/1040649874.db2.gz NLQFRPCCIGXKHL-BXUZGUMPSA-N -1 0 346.452 3.715 20 0 EHADRM CC(C)[C@H]1CCCN(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])CC1 ZINC000908807325 1040662110 /nfs/dbraw/zinc/66/21/10/1040662110.db2.gz UYAYPGCQHBUDSX-AWEZNQCLSA-N -1 0 342.439 3.693 20 0 EHADRM CN(Cc1cc2ccccc2o1)C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000908832977 1040680011 /nfs/dbraw/zinc/68/00/11/1040680011.db2.gz WOXPNZWDIOOGBG-UHFFFAOYSA-N -1 0 341.407 3.816 20 0 EHADRM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccccc1CCC(=O)[O-] ZINC000908832308 1040680027 /nfs/dbraw/zinc/68/00/27/1040680027.db2.gz ANGNYZGOKMFYKE-MAUKXSAKSA-N -1 0 337.419 3.722 20 0 EHADRM CC(C)(C)c1nnsc1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000191959476 1040715589 /nfs/dbraw/zinc/71/55/89/1040715589.db2.gz GOCLJEYKNOARHI-UHFFFAOYSA-N -1 0 334.426 3.518 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1ccc(NCc2ccsc2)cc1)C(=O)[O-] ZINC000908968815 1040727296 /nfs/dbraw/zinc/72/72/96/1040727296.db2.gz NWLLOXUDDJOERD-HNNXBMFYSA-N -1 0 346.452 3.589 20 0 EHADRM CC[C@H](Cc1ccccc1)N(CC)C(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000630151838 1040764457 /nfs/dbraw/zinc/76/44/57/1040764457.db2.gz CUPAMTSPRMDNTH-OAHLLOKOSA-N -1 0 329.396 3.770 20 0 EHADRM Cc1c(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)cnn1CCC(C)C ZINC000909100390 1040803011 /nfs/dbraw/zinc/80/30/11/1040803011.db2.gz OHPBUBHJHOMRSC-RMKNXTFCSA-N -1 0 341.411 3.588 20 0 EHADRM CC(C)Oc1cccc(F)c1Nc1ccc(S(=O)(=O)[O-])cc1 ZINC001211780762 1040843613 /nfs/dbraw/zinc/84/36/13/1040843613.db2.gz QSGLNOJBLRXOKO-UHFFFAOYSA-N -1 0 325.361 3.603 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CCCOc1ccc(Cl)c(C)c1 ZINC000236989848 1040855013 /nfs/dbraw/zinc/85/50/13/1040855013.db2.gz RIDMESQAMSDPNC-KRWDZBQOSA-N -1 0 341.835 3.567 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)C1(C2CC2)CCC1 ZINC000909214247 1040873692 /nfs/dbraw/zinc/87/36/92/1040873692.db2.gz LZYXHGNTYFXFLE-UHFFFAOYSA-N -1 0 329.421 3.796 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2cc(-c3ccccc3F)on2)c1 ZINC000433144548 1040882482 /nfs/dbraw/zinc/88/24/82/1040882482.db2.gz MVQWIWKVHCBHTM-UHFFFAOYSA-N -1 0 346.383 3.844 20 0 EHADRM CC(C)Oc1ccc(-c2ccc3c(c2)[C@H](CC(=O)[O-])C(=O)N3)cc1 ZINC000899640042 1040905978 /nfs/dbraw/zinc/90/59/78/1040905978.db2.gz YUEMMRCZSJFXEK-INIZCTEOSA-N -1 0 325.364 3.651 20 0 EHADRM Cc1sc(CC(=O)Nc2ccc(CCC(=O)[O-])cc2)nc1C(C)C ZINC000909285015 1040924426 /nfs/dbraw/zinc/92/44/26/1040924426.db2.gz BVKNFVUFQGJHRN-UHFFFAOYSA-N -1 0 346.452 3.773 20 0 EHADRM C[C@H](C(=O)NC1(CC(=O)[O-])CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000909707193 1040945089 /nfs/dbraw/zinc/94/50/89/1040945089.db2.gz ZSHWDVXJEUCFPK-NSHDSACASA-N -1 0 343.345 3.713 20 0 EHADRM CC(C)(C)C1CCN(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])CC1 ZINC000909724890 1040966058 /nfs/dbraw/zinc/96/60/58/1040966058.db2.gz QBGHGYROPCQLNE-UHFFFAOYSA-N -1 0 342.439 3.693 20 0 EHADRM O=c1nc(Cc2cc3ccccc3nc2Cl)[n-]c2ccsc21 ZINC000054753948 1040989556 /nfs/dbraw/zinc/98/95/56/1040989556.db2.gz UKVJFQBEOBMUAZ-UHFFFAOYSA-N -1 0 327.796 3.777 20 0 EHADRM Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1cc(Cl)ccc1O ZINC000067145362 1041029991 /nfs/dbraw/zinc/02/99/91/1041029991.db2.gz NPXSSQWKEZWZLD-UHFFFAOYSA-N -1 0 335.835 3.696 20 0 EHADRM CCC(CC)(CC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1)C(=O)[O-] ZINC000325107939 1041030421 /nfs/dbraw/zinc/03/04/21/1041030421.db2.gz YDNNPLGVZDUKGH-QGZVFWFLSA-N -1 0 333.428 3.544 20 0 EHADRM COc1cc(NC(=O)c2ccoc2CC(=O)[O-])c(C2CC2)cc1Cl ZINC000909919694 1041052470 /nfs/dbraw/zinc/05/24/70/1041052470.db2.gz ZPACWFPKHSDDSQ-UHFFFAOYSA-N -1 0 349.770 3.698 20 0 EHADRM Cc1ccc([C@H](CC(=O)NCc2ccc(Cl)s2)C(=O)[O-])cc1 ZINC000899761362 1041087919 /nfs/dbraw/zinc/08/79/19/1041087919.db2.gz HXUAYWVBAXFWDZ-ZDUSSCGKSA-N -1 0 337.828 3.585 20 0 EHADRM Cc1ccc(NC(=O)C(C)C)cc1NC(=O)[C@H](CC(=O)[O-])CC(C)C ZINC000899763863 1041092739 /nfs/dbraw/zinc/09/27/39/1041092739.db2.gz HCVXPOAKADCYNI-AWEZNQCLSA-N -1 0 348.443 3.665 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2cscc2C(F)F)n1 ZINC000909955455 1041094298 /nfs/dbraw/zinc/09/42/98/1041094298.db2.gz SXSOBMGFWZZNDG-SNVBAGLBSA-N -1 0 343.355 3.560 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)N[C@H](C)c1ccc2ncsc2c1 ZINC000899779497 1041102393 /nfs/dbraw/zinc/10/23/93/1041102393.db2.gz AFEKDUKGMVZHBI-DGCLKSJQSA-N -1 0 334.441 3.611 20 0 EHADRM Cc1cccc(NC(=O)[C@@H](CC(=O)[O-])CC(C)C)c1Br ZINC000899781568 1041104433 /nfs/dbraw/zinc/10/44/33/1041104433.db2.gz OANGCINILKWFSJ-LLVKDONJSA-N -1 0 342.233 3.833 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)NCc1cccc(-c2cccnc2)c1 ZINC000899781179 1041106027 /nfs/dbraw/zinc/10/60/27/1041106027.db2.gz LVELIRVXBYVGBY-SFHVURJKSA-N -1 0 340.423 3.502 20 0 EHADRM Cc1ccc([C@@H](CC(=O)NCC(C)(C)CC(F)(F)F)C(=O)[O-])cc1 ZINC000899791899 1041117179 /nfs/dbraw/zinc/11/71/79/1041117179.db2.gz JPWHFMFPQCFRAL-CYBMUJFWSA-N -1 0 345.361 3.648 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1cccc(C2CCOCC2)c1 ZINC000899793967 1041143653 /nfs/dbraw/zinc/14/36/53/1041143653.db2.gz DOBZDTCGFBYZML-INIZCTEOSA-N -1 0 333.428 3.656 20 0 EHADRM Cc1coc(C(=O)N2CCC([C@H](CC(=O)[O-])c3ccccc3)CC2)c1 ZINC000910034925 1041156650 /nfs/dbraw/zinc/15/66/50/1041156650.db2.gz CQVMATNGBDJYCR-QGZVFWFLSA-N -1 0 341.407 3.699 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N2Cc3ccccc3C[C@H]2C)C(=O)[O-])cc1 ZINC000899821119 1041179072 /nfs/dbraw/zinc/17/90/72/1041179072.db2.gz GPHLIISBZGQZEB-DNVCBOLYSA-N -1 0 337.419 3.527 20 0 EHADRM CSc1ccccc1C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])cs1 ZINC000910116478 1041184422 /nfs/dbraw/zinc/18/44/22/1041184422.db2.gz YRFYGILHVLCHOM-LBPRGKRZSA-N -1 0 348.449 3.541 20 0 EHADRM Cc1scc(CNC(=O)C[C@@H](C(=O)[O-])c2ccc(C)cc2)c1C ZINC000899830328 1041191103 /nfs/dbraw/zinc/19/11/03/1041191103.db2.gz HXFAHNSFESBCPU-MRXNPFEDSA-N -1 0 331.437 3.548 20 0 EHADRM CC1(C)CCCC[C@H]1C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])cs1 ZINC000910108026 1041192726 /nfs/dbraw/zinc/19/27/26/1041192726.db2.gz FCCQSQVBZZCHTD-WCQYABFASA-N -1 0 336.457 3.721 20 0 EHADRM CC[C@H]1CC[C@H](C(=O)N2CCC[C@@H]2c2nc(C(=O)[O-])cs2)CC1 ZINC000910107036 1041193042 /nfs/dbraw/zinc/19/30/42/1041193042.db2.gz LTGLVKUGYXLHEP-YRGRVCCFSA-N -1 0 336.457 3.721 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000571178410 1041193685 /nfs/dbraw/zinc/19/36/85/1041193685.db2.gz COMSKLXUVZRLIR-APPDUMDISA-N -1 0 349.477 3.785 20 0 EHADRM C/C(=C\C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])cs1)c1ccccc1 ZINC000910111376 1041193850 /nfs/dbraw/zinc/19/38/50/1041193850.db2.gz DLGHHGFEFYUYCF-HBIYDYFMSA-N -1 0 342.420 3.608 20 0 EHADRM Cc1ccc(C)c(C(=O)NCC[C@@H]2CCC(F)(F)C2)c1C(=O)[O-] ZINC000899852675 1041212156 /nfs/dbraw/zinc/21/21/56/1041212156.db2.gz INFSWCVPBKMWEI-LBPRGKRZSA-N -1 0 325.355 3.557 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)N[C@@H](c1ccncc1)C1CC1)C1CCCCC1 ZINC000899854211 1041234463 /nfs/dbraw/zinc/23/44/63/1041234463.db2.gz HAWJUQOUAGMMIL-QUCCMNQESA-N -1 0 344.455 3.710 20 0 EHADRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(C(C)(C)C)ccc1O ZINC000319504478 1041235123 /nfs/dbraw/zinc/23/51/23/1041235123.db2.gz CFKGNFMITVCJLA-UHFFFAOYSA-N -1 0 337.416 3.938 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000647689956 1041245905 /nfs/dbraw/zinc/24/59/05/1041245905.db2.gz ZONXFPLUPXLOMN-OCCSQVGLSA-N -1 0 348.443 3.567 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccsc2C)cc1 ZINC000909326385 1041246849 /nfs/dbraw/zinc/24/68/49/1041246849.db2.gz PFTRZCHSBIAKEI-AWEZNQCLSA-N -1 0 335.450 3.724 20 0 EHADRM O=C([O-])C1CCC(C(=O)NCC2CCC(c3ccccc3)CC2)CC1 ZINC000194412685 1041268196 /nfs/dbraw/zinc/26/81/96/1041268196.db2.gz SMCXFTGCBUEKOP-UHFFFAOYSA-N -1 0 343.467 3.968 20 0 EHADRM O=C([O-])c1ccccc1COc1cccc(/C=C\c2ccncn2)c1 ZINC000500379153 1041272921 /nfs/dbraw/zinc/27/29/21/1041272921.db2.gz FGJVVBMNSRBLCZ-HJWRWDBZSA-N -1 0 332.359 3.924 20 0 EHADRM COC(=O)c1cc(Cl)cc(Nc2ccc(C(=O)[O-])c(C)c2)c1O ZINC001211658134 1041420322 /nfs/dbraw/zinc/42/03/22/1041420322.db2.gz BKRXMJAVLAZSMX-UHFFFAOYSA-N -1 0 335.743 3.582 20 0 EHADRM CCOCCC1(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)CCCC1 ZINC000237037751 1041421631 /nfs/dbraw/zinc/42/16/31/1041421631.db2.gz JVAAQKWMWZZXOC-JXMROGBWSA-N -1 0 331.412 3.710 20 0 EHADRM CC(C)CCC1CCN(C(=O)CSc2n[n-]c(=S)s2)CC1 ZINC000162795861 1041522472 /nfs/dbraw/zinc/52/24/72/1041522472.db2.gz CNKPJTGYCVZSPZ-UHFFFAOYSA-N -1 0 345.559 3.594 20 0 EHADRM CC(C)C[C@H](CNC(=O)C[C@@H](C)c1ccc(F)cc1F)CC(=O)[O-] ZINC000652089244 1041552058 /nfs/dbraw/zinc/55/20/58/1041552058.db2.gz XQJCAQIVIQBEDG-OLZOCXBDSA-N -1 0 341.398 3.712 20 0 EHADRM Cc1cccc([C@@H](C)C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000432126746 1041626182 /nfs/dbraw/zinc/62/61/82/1041626182.db2.gz OLZXSENQQCTIAI-APWZRJJASA-N -1 0 339.435 3.691 20 0 EHADRM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cccc(C(=O)[O-])c1)[C@@H]2C ZINC000432135367 1041630282 /nfs/dbraw/zinc/63/02/82/1041630282.db2.gz HRZJYGQUXDECDJ-CHWSQXEVSA-N -1 0 339.391 3.541 20 0 EHADRM Cc1ccc(C(C)C)c(OCC(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])c1 ZINC000432131986 1041631668 /nfs/dbraw/zinc/63/16/68/1041631668.db2.gz XZHJTHHRTBWXKZ-OXJNMPFZSA-N -1 0 347.455 3.647 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCCC[C@H]1Cc1ccccc1F ZINC000652121339 1041655264 /nfs/dbraw/zinc/65/52/64/1041655264.db2.gz FNAWWYZHJMHPPB-HNNXBMFYSA-N -1 0 335.419 3.640 20 0 EHADRM COC(=O)Cc1ccc(Cl)c(Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001211660860 1041701098 /nfs/dbraw/zinc/70/10/98/1041701098.db2.gz PIHYXJCFDDBTMW-UHFFFAOYSA-N -1 0 333.771 3.806 20 0 EHADRM Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1cccc(C)c1 ZINC000198134287 1041706204 /nfs/dbraw/zinc/70/62/04/1041706204.db2.gz MNNGVGURNIVIDU-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM CC(C)Sc1ccccc1NC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000647697373 1041760646 /nfs/dbraw/zinc/76/06/46/1041760646.db2.gz FJVPKRFPAPLQFQ-CHWSQXEVSA-N -1 0 336.457 3.762 20 0 EHADRM CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)CC1 ZINC000613775318 1042007631 /nfs/dbraw/zinc/00/76/31/1042007631.db2.gz WVHDFPNJAAUWST-VXGBXAGGSA-N -1 0 331.416 3.653 20 0 EHADRM CC(C)(CNC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000326893276 1042075219 /nfs/dbraw/zinc/07/52/19/1042075219.db2.gz GKFBSQKUXPDOEM-OAQYLSRUSA-N -1 0 339.435 3.513 20 0 EHADRM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000045866009 1042164002 /nfs/dbraw/zinc/16/40/02/1042164002.db2.gz JJAZHZYVIOHDGA-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1c1ccc2cccc(Br)c2n1 ZINC000662892579 1042199178 /nfs/dbraw/zinc/19/91/78/1042199178.db2.gz FJALGVFLOTULPZ-CMPLNLGQSA-N -1 0 349.228 3.687 20 0 EHADRM CC(C)(C)c1ccc(SCC(=O)NCCCCCC(=O)[O-])cc1 ZINC000236746844 1042333399 /nfs/dbraw/zinc/33/33/99/1042333399.db2.gz HSJWGHAFMILEJK-UHFFFAOYSA-N -1 0 337.485 3.837 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)ccc1O)c1c(F)cccc1Cl ZINC000125959668 1042340202 /nfs/dbraw/zinc/34/02/02/1042340202.db2.gz CTHSHKFGUZLBNI-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM O=C(Nc1cnc(-c2ccccc2)nc1)c1cc(F)c([O-])c(Cl)c1 ZINC000184250183 1042364004 /nfs/dbraw/zinc/36/40/04/1042364004.db2.gz CPVUWTBBERMROD-UHFFFAOYSA-N -1 0 343.745 3.894 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 ZINC000663033054 1042367272 /nfs/dbraw/zinc/36/72/72/1042367272.db2.gz MUXSHGKKRARMSG-SNVBAGLBSA-N -1 0 344.289 3.532 20 0 EHADRM CC(=O)Nc1cc(NC(=O)c2cc(F)c([O-])c(Cl)c2)ccc1C ZINC000184271960 1042393017 /nfs/dbraw/zinc/39/30/17/1042393017.db2.gz SUWKZOOAUUDKCL-UHFFFAOYSA-N -1 0 336.750 3.704 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc2cc(Cl)ccc2s1 ZINC000663058246 1042407336 /nfs/dbraw/zinc/40/73/36/1042407336.db2.gz XCVMRVSBHSJQDT-UWVGGRQHSA-N -1 0 337.828 3.880 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000663101903 1042452516 /nfs/dbraw/zinc/45/25/16/1042452516.db2.gz MNWLQLCLHCVJST-MRXNPFEDSA-N -1 0 332.444 3.752 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)C2CC3(C2)CCCCC3)c2ccccc21 ZINC000663121458 1042471044 /nfs/dbraw/zinc/47/10/44/1042471044.db2.gz YZZIHFWOKXMADZ-IAGOWNOFSA-N -1 0 327.424 3.776 20 0 EHADRM CC(=O)Nc1ccc(C)cc1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184369643 1042490841 /nfs/dbraw/zinc/49/08/41/1042490841.db2.gz WUKJCJGWYJGUOT-UHFFFAOYSA-N -1 0 336.750 3.704 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)C1(c2cccs2)CCCCC1)C1CCC1 ZINC000663147409 1042492362 /nfs/dbraw/zinc/49/23/62/1042492362.db2.gz NHTIPFWYBZQOEX-AWEZNQCLSA-N -1 0 335.469 3.567 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663151813 1042496158 /nfs/dbraw/zinc/49/61/58/1042496158.db2.gz FMNNAMNIJHJETQ-ZDUSSCGKSA-N -1 0 341.860 3.683 20 0 EHADRM CCC(CC)N(C(=O)c1[nH]c2ccccc2c1CC(=O)[O-])C1CC1 ZINC000909402793 1042542392 /nfs/dbraw/zinc/54/23/92/1042542392.db2.gz DNWQUUKULKPSKC-UHFFFAOYSA-N -1 0 328.412 3.588 20 0 EHADRM CCS[C@H]1CCCC[C@@H]1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184480914 1042558604 /nfs/dbraw/zinc/55/86/04/1042558604.db2.gz ZGWWBYONLGSMGO-STQMWFEESA-N -1 0 331.840 3.979 20 0 EHADRM COc1ccc(N(C)C(=O)c2cc(F)c([O-])c(Cl)c2)cc1F ZINC000184493567 1042560946 /nfs/dbraw/zinc/56/09/46/1042560946.db2.gz NVYFGKNDGLSFOV-UHFFFAOYSA-N -1 0 327.714 3.609 20 0 EHADRM CCC(CC)(CC(=O)Nc1ccc(O[C@@H]2CC2(F)F)cc1)C(=O)[O-] ZINC000663228968 1042574637 /nfs/dbraw/zinc/57/46/37/1042574637.db2.gz KYBZRAKRGNJDHU-CYBMUJFWSA-N -1 0 341.354 3.693 20 0 EHADRM O=[N+]([O-])c1ccc(Cl)c(C=Nn2c(=S)[n-]nc2-c2ccco2)c1 ZINC000254765647 1042622060 /nfs/dbraw/zinc/62/20/60/1042622060.db2.gz GMDJZSZFZWSKCM-UHFFFAOYSA-N -1 0 349.759 3.644 20 0 EHADRM O=C([O-])[C@@H]1N(C(=O)N(c2ccccc2)c2ccccc2)CC12CCC2 ZINC000663286576 1042631913 /nfs/dbraw/zinc/63/19/13/1042631913.db2.gz DSLDCVGQIBDUIE-KRWDZBQOSA-N -1 0 336.391 3.884 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000185811653 1042641652 /nfs/dbraw/zinc/64/16/52/1042641652.db2.gz QJMKLZQHWJKESX-NSHDSACASA-N -1 0 327.767 3.766 20 0 EHADRM COc1ccc2ccccc2c1CNC(=O)c1cc(F)c([O-])c(F)c1 ZINC000186563611 1042670484 /nfs/dbraw/zinc/67/04/84/1042670484.db2.gz ZPOFXTIGSWULGE-UHFFFAOYSA-N -1 0 343.329 3.762 20 0 EHADRM CC[C@H](C)Sc1ccc(NC(=O)NCC2(C(=O)[O-])CC2)c(C)c1 ZINC000663344683 1042729642 /nfs/dbraw/zinc/72/96/42/1042729642.db2.gz LJEUKJSJMLQGKZ-LBPRGKRZSA-N -1 0 336.457 3.872 20 0 EHADRM CC[C@@H](C)Sc1ccc(NC(=O)NCC2(C(=O)[O-])CC2)c(C)c1 ZINC000663344682 1042729940 /nfs/dbraw/zinc/72/99/40/1042729940.db2.gz LJEUKJSJMLQGKZ-GFCCVEGCSA-N -1 0 336.457 3.872 20 0 EHADRM COc1cc(C)c(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)cc1C ZINC000663368677 1042759566 /nfs/dbraw/zinc/75/95/66/1042759566.db2.gz OFTYBSKLSRGYJW-AWEZNQCLSA-N -1 0 336.432 3.571 20 0 EHADRM CCO[C@H](CC)C(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000066504466 1042768589 /nfs/dbraw/zinc/76/85/89/1042768589.db2.gz UVZCSARQSZYFLF-ZCFIWIBFSA-N -1 0 346.257 3.515 20 0 EHADRM CC(C)n1nc(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccsc1 ZINC000350117278 1042779309 /nfs/dbraw/zinc/77/93/09/1042779309.db2.gz DYLDEXFBIHEGKT-UHFFFAOYSA-N -1 0 347.465 3.993 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1sc2ccccc2c1Cl ZINC000317120165 1042928990 /nfs/dbraw/zinc/92/89/90/1042928990.db2.gz SHQYFERXUNMAIR-ZBEGNZNMSA-N -1 0 337.828 3.928 20 0 EHADRM CCCCOc1ccc(CN[C@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC000563145880 1042938585 /nfs/dbraw/zinc/93/85/85/1042938585.db2.gz FVUFPUZTDFAOQT-GFCCVEGCSA-N -1 0 334.441 3.871 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N[C@H]2CCC[C@H](SC)C2)s1 ZINC000343960117 1042951995 /nfs/dbraw/zinc/95/19/95/1042951995.db2.gz HTUMISMEHAOZKG-RYUDHWBXSA-N -1 0 342.534 3.659 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H]1C(=O)Nc1ccccc1SC(F)(F)F ZINC000317251869 1042970838 /nfs/dbraw/zinc/97/08/38/1042970838.db2.gz GHYJLKVLWIIFIM-IUCAKERBSA-N -1 0 333.331 3.738 20 0 EHADRM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H]1Cc2ccccc2S1 ZINC000077882521 1043098147 /nfs/dbraw/zinc/09/81/47/1043098147.db2.gz STPSLWVDBLSZDY-BLLLJJGKSA-N -1 0 347.461 3.751 20 0 EHADRM C[C@@H](Sc1ccccc1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000344036841 1043139593 /nfs/dbraw/zinc/13/95/93/1043139593.db2.gz TZDMACXKWNAETQ-CYBMUJFWSA-N -1 0 329.421 3.823 20 0 EHADRM C[C@@H]1c2cc(F)cc(F)c2CCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000344240401 1043506863 /nfs/dbraw/zinc/50/68/63/1043506863.db2.gz MOKIQEJZTSMOGU-SECBINFHSA-N -1 0 347.390 3.794 20 0 EHADRM CC(C)CCC(=O)C(C#N)=C([O-])c1sccc1Br ZINC000126028109 1043831586 /nfs/dbraw/zinc/83/15/86/1043831586.db2.gz PUQIABQOWJRNBO-SECBINFHSA-N -1 0 328.231 3.838 20 0 EHADRM CC(C)CCN(C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])C1CC1 ZINC000436455260 1044400165 /nfs/dbraw/zinc/40/01/65/1044400165.db2.gz IELINUHVEQVGGT-UHFFFAOYSA-N -1 0 347.846 3.882 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000236439358 1044401617 /nfs/dbraw/zinc/40/16/17/1044401617.db2.gz BWUPDONOXNQBGY-RKDXNWHRSA-N -1 0 332.158 3.738 20 0 EHADRM O=C(CCCc1ccc(O)c(F)c1)Nc1cccc(-n2cccn2)c1 ZINC000345012653 1044817388 /nfs/dbraw/zinc/81/73/88/1044817388.db2.gz GFFGYXMDHKPZJW-UHFFFAOYSA-N -1 0 339.370 3.678 20 0 EHADRM Cc1ccc(CCC(=O)NOCC2CCC2)c(Br)c1 ZINC001148107535 1137417823 /nfs/dbraw/zinc/41/78/23/1137417823.db2.gz QUMVFCYZWWXIDH-UHFFFAOYSA-N -1 0 326.234 3.538 20 0 EHADRM O=S(=O)([N-]c1cccc2ccccc21)c1cnn(-c2ccccc2)c1 ZINC000620473690 1125580690 /nfs/dbraw/zinc/58/06/90/1125580690.db2.gz CFVSUFJWXJPWDT-UHFFFAOYSA-N -1 0 349.415 3.826 20 0 EHADRM CC(C)c1nnc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)o1 ZINC000153615516 1125637520 /nfs/dbraw/zinc/63/75/20/1125637520.db2.gz HIJODZQXPWMIQH-UHFFFAOYSA-N -1 0 343.408 3.661 20 0 EHADRM Cc1cc(NC(=O)c2ccccc2O)ccc1NC(=O)c1ccco1 ZINC000154904825 1125764296 /nfs/dbraw/zinc/76/42/96/1125764296.db2.gz KUOPSEPTQZQRDR-UHFFFAOYSA-N -1 0 336.347 3.798 20 0 EHADRM Cc1ccc(CCC2CCN(C(=O)c3cc(C(=O)[O-])co3)CC2)cc1 ZINC000183755721 1125775934 /nfs/dbraw/zinc/77/59/34/1125775934.db2.gz MDXVHZQZWQAVSV-UHFFFAOYSA-N -1 0 341.407 3.771 20 0 EHADRM Cc1nc(CN[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])sc1C ZINC000900041229 1126127964 /nfs/dbraw/zinc/12/79/64/1126127964.db2.gz LTMSYBZGBDFEDV-KRWDZBQOSA-N -1 0 340.448 3.699 20 0 EHADRM Cc1cc(C)cc(C[C@@H](NCc2csc(C(C)C)n2)C(=O)[O-])c1 ZINC001255793252 1126160362 /nfs/dbraw/zinc/16/03/62/1126160362.db2.gz ISFXYQKAQKUYDI-MRXNPFEDSA-N -1 0 332.469 3.669 20 0 EHADRM C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2cccc(Cl)c2[O-])cc1 ZINC000172108828 1126781146 /nfs/dbraw/zinc/78/11/46/1126781146.db2.gz PRDIQPURYZDGJI-GWCFXTLKSA-N -1 0 344.798 3.892 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000062842748 1126819377 /nfs/dbraw/zinc/81/93/77/1126819377.db2.gz QJMFWBLSIFIRNP-UHFFFAOYSA-N -1 0 331.199 3.712 20 0 EHADRM Nc1cc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc(Cl)n1 ZINC000185471334 1126907237 /nfs/dbraw/zinc/90/72/37/1126907237.db2.gz XSQOCCRYEIDRBU-UHFFFAOYSA-N -1 0 332.574 3.582 20 0 EHADRM O=C(c1[n-]cnc1-c1nc([C@@H]2CCC(F)(F)C2)no1)c1ccccc1 ZINC000350337086 1127072780 /nfs/dbraw/zinc/07/27/80/1127072780.db2.gz ZRHZQOVUVSZZCJ-LLVKDONJSA-N -1 0 344.321 3.594 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cccc3cccnc32)c1Cl ZINC000179961513 1127104230 /nfs/dbraw/zinc/10/42/30/1127104230.db2.gz CHGONJSDEBMFMM-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2)c1F ZINC000181042492 1127265014 /nfs/dbraw/zinc/26/50/14/1127265014.db2.gz ISCNAUGHNMJSNY-UHFFFAOYSA-N -1 0 334.416 3.535 20 0 EHADRM Cc1cc(Br)ccc1C[S@](=O)c1ccc(O)cc1 ZINC000182094089 1127311540 /nfs/dbraw/zinc/31/15/40/1127311540.db2.gz CEEPRNYLYAHYMJ-SFHVURJKSA-N -1 0 325.227 3.771 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)c(C)o1 ZINC000182789790 1127347633 /nfs/dbraw/zinc/34/76/33/1127347633.db2.gz WZFFMAZHXROQSX-UHFFFAOYSA-N -1 0 344.392 3.885 20 0 EHADRM C[C@@H](CNC(=O)c1cc(F)c(F)c([O-])c1F)c1ccc(F)cc1F ZINC000182907917 1127353563 /nfs/dbraw/zinc/35/35/63/1127353563.db2.gz BJTPCYMCVZNJQZ-ZETCQYMHSA-N -1 0 345.267 3.621 20 0 EHADRM C[C@H]1CCc2ccccc2[C@H]1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000183582485 1127381462 /nfs/dbraw/zinc/38/14/62/1127381462.db2.gz NJBTXCBNPMHZRL-FVMDXXJSSA-N -1 0 335.325 3.863 20 0 EHADRM C[C@H](NC(=O)c1ccc(F)cc1[O-])c1nc2cc(Cl)ccc2[nH]1 ZINC000764222526 1127464181 /nfs/dbraw/zinc/46/41/81/1127464181.db2.gz ZYRNJAFXQNWNTJ-QMMMGPOBSA-N -1 0 333.750 3.552 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)c1nnc(-c2ccccc2F)[n-]1 ZINC000195128287 1127474214 /nfs/dbraw/zinc/47/42/14/1127474214.db2.gz ABEMKACGGBWLMB-HNNXBMFYSA-N -1 0 345.399 3.536 20 0 EHADRM CC(C)CC(=O)N[N-]C(=O)c1sc2cc(F)ccc2c1Cl ZINC000010160529 1127474309 /nfs/dbraw/zinc/47/43/09/1127474309.db2.gz BHQZXJVJFDKKLI-UHFFFAOYSA-N -1 0 328.796 3.501 20 0 EHADRM Cc1cc(C(=O)CCC(=O)Nc2cccc(C(=O)[O-])c2)c(C)s1 ZINC000195193059 1127474739 /nfs/dbraw/zinc/47/47/39/1127474739.db2.gz HLXNFXILOAKKPP-UHFFFAOYSA-N -1 0 331.393 3.665 20 0 EHADRM O=C(OCc1nc(Cl)ccc1Cl)c1cc(F)c([O-])c(F)c1 ZINC000765488299 1127617804 /nfs/dbraw/zinc/61/78/04/1127617804.db2.gz YJVNINDNRSETOU-UHFFFAOYSA-N -1 0 334.105 3.729 20 0 EHADRM O=S(=O)([N-]c1cc(F)ccc1N1CCCCC1)c1ccsc1 ZINC000671667695 1127794007 /nfs/dbraw/zinc/79/40/07/1127794007.db2.gz IYKBUINRDBAMSQ-UHFFFAOYSA-N -1 0 340.445 3.678 20 0 EHADRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2ccccc2n1 ZINC000033632481 1127867237 /nfs/dbraw/zinc/86/72/37/1127867237.db2.gz MWUXAJSFFDISQD-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM CCCCCC(C)(C)C(=O)Nc1cc(S(=O)(=O)CC)ccc1[O-] ZINC000092525718 1127941532 /nfs/dbraw/zinc/94/15/32/1127941532.db2.gz LYJHBWZRFQCGJG-UHFFFAOYSA-N -1 0 341.473 3.731 20 0 EHADRM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)[C@@H]1CC2CCC1CC2 ZINC001212356628 1127950644 /nfs/dbraw/zinc/95/06/44/1127950644.db2.gz ILCKRKBPBPFZQO-PGHLRGPGSA-N -1 0 347.402 3.597 20 0 EHADRM O=C([O-])c1cc(N2CCC(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000079032212 1128009067 /nfs/dbraw/zinc/00/90/67/1128009067.db2.gz OFEIQIWLHUJGEZ-UHFFFAOYSA-N -1 0 326.352 3.677 20 0 EHADRM COc1ccc(CCCCC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000347525356 1128041740 /nfs/dbraw/zinc/04/17/40/1128041740.db2.gz TZRUBOTYIFRZCP-KRWDZBQOSA-N -1 0 347.455 3.511 20 0 EHADRM Cc1ccc(C(=O)NCc2ccnc(Oc3ccccc3)c2)c(O)c1 ZINC000642595274 1128229820 /nfs/dbraw/zinc/22/98/20/1128229820.db2.gz BKMJJNNAGOILRR-UHFFFAOYSA-N -1 0 334.375 3.818 20 0 EHADRM Clc1ccc(C2(CN=c3[n-]nc(C4CCOCC4)s3)CC2)cc1 ZINC000338665610 1128345094 /nfs/dbraw/zinc/34/50/94/1128345094.db2.gz SWORTCDRJMCYEL-UHFFFAOYSA-N -1 0 349.887 3.651 20 0 EHADRM O=C(CCc1ccc(Cl)c(Cl)c1)[N-]S(=O)(=O)CC1CC1 ZINC000073539022 1128395737 /nfs/dbraw/zinc/39/57/37/1128395737.db2.gz AAFVMGYPVMQWJA-UHFFFAOYSA-N -1 0 336.240 3.622 20 0 EHADRM COCc1nc(=N[C@H]2CCCc3c4cc(Cl)ccc4[nH]c32)s[n-]1 ZINC000624676199 1128425563 /nfs/dbraw/zinc/42/55/63/1128425563.db2.gz WDOLQDBFDGAJFX-ZDUSSCGKSA-N -1 0 348.859 3.731 20 0 EHADRM O=S(=O)([N-]c1ncc(C(F)(F)F)s1)c1ccc(Cl)s1 ZINC000473759066 1128453562 /nfs/dbraw/zinc/45/35/62/1128453562.db2.gz SKAAUNBMHOKCOL-UHFFFAOYSA-N -1 0 348.780 3.678 20 0 EHADRM CC[C@@H](CNC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655858943 1128509109 /nfs/dbraw/zinc/50/91/09/1128509109.db2.gz BSKCBKFAECVVFU-YQFWSFKMSA-N -1 0 346.471 3.615 20 0 EHADRM Cc1cccc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000055558761 1128522858 /nfs/dbraw/zinc/52/28/58/1128522858.db2.gz YWHZADYPCUGCIK-UHFFFAOYSA-N -1 0 347.436 3.926 20 0 EHADRM CC(C)Oc1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000055590359 1128524213 /nfs/dbraw/zinc/52/42/13/1128524213.db2.gz MZOKPCDRBQDPBS-UHFFFAOYSA-N -1 0 327.352 3.553 20 0 EHADRM O=C(Cc1ccc2c(c1)CCCC2)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000057753128 1128664054 /nfs/dbraw/zinc/66/40/54/1128664054.db2.gz KWPVZALRCXVPIU-UHFFFAOYSA-N -1 0 349.390 3.502 20 0 EHADRM CC(C)[C@H](CNc1ccc(-c2ccc(Cl)s2)nn1)C(=O)[O-] ZINC000656093804 1128735541 /nfs/dbraw/zinc/73/55/41/1128735541.db2.gz XIBGCKIUJBKQDT-VIFPVBQESA-N -1 0 325.821 3.627 20 0 EHADRM Fc1ccccc1[C@@H]1CC[C@@H](N=c2[n-]nc(C3CCOCC3)s2)C1 ZINC000338716320 1128742684 /nfs/dbraw/zinc/74/26/84/1128742684.db2.gz KLUWAOODOUHIAF-ZIAGYGMSSA-N -1 0 347.459 3.741 20 0 EHADRM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000007057424 1128846310 /nfs/dbraw/zinc/84/63/10/1128846310.db2.gz DQWAAGXCGJHXJA-UHFFFAOYSA-N -1 0 329.780 3.679 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1F ZINC000007405756 1128864986 /nfs/dbraw/zinc/86/49/86/1128864986.db2.gz SUOFAGUMORLYPJ-UHFFFAOYSA-N -1 0 333.306 3.954 20 0 EHADRM C[C@@H](CCCc1cccnc1)NC(=O)c1cc(F)cc(Cl)c1[O-] ZINC001648842332 1120052814 /nfs/dbraw/zinc/05/28/14/1120052814.db2.gz GMIDDLZOOLXTBH-NSHDSACASA-N -1 0 336.794 3.721 20 0 EHADRM CCCCC[C@@H]1CCCCN1S(=O)(=O)c1cc([O-])cc(F)c1 ZINC001670530649 1120082577 /nfs/dbraw/zinc/08/25/77/1120082577.db2.gz PMQQOAYKZSBSCN-CQSZACIVSA-N -1 0 329.437 3.655 20 0 EHADRM O=C([O-])c1cc(Br)cc(NCCc2ccsc2)c1 ZINC000227670525 1120160607 /nfs/dbraw/zinc/16/06/07/1120160607.db2.gz ZMCNNMTUUQWCCV-UHFFFAOYSA-N -1 0 326.215 3.863 20 0 EHADRM Cc1cn(-c2ccc(Cl)cc2)nc1[N-]S(=O)(=O)c1ccccc1 ZINC000499509179 1128898820 /nfs/dbraw/zinc/89/88/20/1128898820.db2.gz ZADZEAAYKBLOOA-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)CCCc2ccc3c(c2)CCCC3)CC1 ZINC000652065911 1120224576 /nfs/dbraw/zinc/22/45/76/1120224576.db2.gz QNQHIEQDINCTAO-UHFFFAOYSA-N -1 0 343.467 3.601 20 0 EHADRM CC1(C)CC(=O)c2cccc(NC(=O)c3c([O-])cc(F)cc3F)c2O1 ZINC001648958793 1120279852 /nfs/dbraw/zinc/27/98/52/1120279852.db2.gz KKKHIBNOFLIFSY-UHFFFAOYSA-N -1 0 347.317 3.667 20 0 EHADRM O=C(NCc1ccccc1)c1cc(Br)cc(Cl)c1[O-] ZINC000303806359 1120369444 /nfs/dbraw/zinc/36/94/44/1120369444.db2.gz BTTPHRRGLSWOBD-UHFFFAOYSA-N -1 0 340.604 3.738 20 0 EHADRM CSc1cccc(C)c1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000185335007 1120409415 /nfs/dbraw/zinc/40/94/15/1120409415.db2.gz VOZPQRDOMLDRKG-UHFFFAOYSA-N -1 0 329.393 3.796 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cc1OC(F)F)c1ccccc1 ZINC000185660540 1120423659 /nfs/dbraw/zinc/42/36/59/1120423659.db2.gz WLFNPWKXESXUKD-UHFFFAOYSA-N -1 0 333.743 3.742 20 0 EHADRM O=c1[n-]c(SCc2csc(Cc3ccc(Cl)cc3)n2)n[nH]1 ZINC000187639942 1120506072 /nfs/dbraw/zinc/50/60/72/1120506072.db2.gz VECOGZKOJZPPDU-UHFFFAOYSA-N -1 0 338.845 3.503 20 0 EHADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000189223881 1120561538 /nfs/dbraw/zinc/56/15/38/1120561538.db2.gz APJFSUDFMWXSCI-UHFFFAOYSA-N -1 0 345.342 3.601 20 0 EHADRM CC(C)c1cc(N=C([O-])Nc2cc(-c3ccccc3)ns2)n[nH]1 ZINC000494772380 1120794101 /nfs/dbraw/zinc/79/41/01/1120794101.db2.gz LPSMTCHGKJLYHE-UHFFFAOYSA-N -1 0 327.413 3.723 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2nnc(CC(C)C)o2)cc1 ZINC000194856752 1120866219 /nfs/dbraw/zinc/86/62/19/1120866219.db2.gz UNANOFPFORHULW-LBPRGKRZSA-N -1 0 337.445 3.582 20 0 EHADRM CCC1(C(=O)N=c2nc(-c3cccc(OC)c3)[n-]s2)CCCC1 ZINC000465455883 1120901029 /nfs/dbraw/zinc/90/10/29/1120901029.db2.gz AWXREUDUYMLERK-UHFFFAOYSA-N -1 0 331.441 3.545 20 0 EHADRM O=C([N-]Cc1nc(C(F)(F)F)cs1)C(F)(F)c1ccccc1 ZINC000153243241 1120910606 /nfs/dbraw/zinc/91/06/06/1120910606.db2.gz HEHZLWIUAHIGPH-UHFFFAOYSA-N -1 0 336.285 3.570 20 0 EHADRM Cc1cc(Br)c(F)cc1NC(=O)c1c([O-])cccc1F ZINC000228867754 1120941677 /nfs/dbraw/zinc/94/16/77/1120941677.db2.gz MBGOCEHOGJYHQR-UHFFFAOYSA-N -1 0 342.139 3.994 20 0 EHADRM Cc1c(C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)cnn1-c1ccccc1 ZINC000914729986 1120966397 /nfs/dbraw/zinc/96/63/97/1120966397.db2.gz FMDDGBCJWSUYNV-XFXZXTDPSA-N -1 0 347.374 3.531 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)/C=C/c2ccc3ccccc3n2)cc1 ZINC000914731387 1120966743 /nfs/dbraw/zinc/96/67/43/1120966743.db2.gz RGJYJNIHSLXGKG-QCFRCMIOSA-N -1 0 344.370 3.985 20 0 EHADRM CCC[C@H](C)c1noc(-c2ccc3c(c2)[n-]c(=S)n(CC)c3=O)n1 ZINC000761843110 1120985797 /nfs/dbraw/zinc/98/57/97/1120985797.db2.gz AELZPAONQBWFED-JTQLQIEISA-N -1 0 344.440 3.659 20 0 EHADRM CCC(CC)[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000762081576 1121097292 /nfs/dbraw/zinc/09/72/92/1121097292.db2.gz IBUUQZOPDUUTKT-CYBMUJFWSA-N -1 0 325.474 3.687 20 0 EHADRM C[C@@H]1CCN(C(=O)c2s[n-]c(=O)c2Cl)C[C@H]1c1ccccc1 ZINC000915015855 1121103228 /nfs/dbraw/zinc/10/32/28/1121103228.db2.gz RDYFUNLMYQWUBB-ZYHUDNBSSA-N -1 0 336.844 3.768 20 0 EHADRM O=c1c2cccc3cccc(c23)c1=N[N-]c1ncccc1C(F)(F)F ZINC000915051385 1121151419 /nfs/dbraw/zinc/15/14/19/1121151419.db2.gz RZEKBUPUJMJMOU-UHFFFAOYSA-N -1 0 341.292 3.570 20 0 EHADRM CC1CCC(=CC(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)CC1 ZINC000762239795 1121198200 /nfs/dbraw/zinc/19/82/00/1121198200.db2.gz XROZFWXDVFCFAE-PKHIMPSTSA-N -1 0 329.440 3.715 20 0 EHADRM O=C(Cc1cccc(OC(F)F)c1)Nc1cccc(Cl)c1[O-] ZINC000077010722 1128974194 /nfs/dbraw/zinc/97/41/94/1128974194.db2.gz SISIIDXHLXWSMA-UHFFFAOYSA-N -1 0 327.714 3.828 20 0 EHADRM COc1ccc(C(=O)CCC(=O)Nc2cccc(Cl)c2[O-])cc1 ZINC000077011292 1128974251 /nfs/dbraw/zinc/97/42/51/1128974251.db2.gz BECJOEBVXAEIEB-UHFFFAOYSA-N -1 0 333.771 3.656 20 0 EHADRM CCC1(C(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])CCC1 ZINC000236649028 1121458717 /nfs/dbraw/zinc/45/87/17/1121458717.db2.gz IDTQZSLCCRYOLH-GOSISDBHSA-N -1 0 339.435 3.780 20 0 EHADRM CC(C)COc1cccc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1 ZINC000236724922 1121461057 /nfs/dbraw/zinc/46/10/57/1121461057.db2.gz ACHYJMJURXYFAB-JLSDUUJJSA-N -1 0 345.439 3.579 20 0 EHADRM CC(C)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000236789010 1121463157 /nfs/dbraw/zinc/46/31/57/1121463157.db2.gz LYCSZFJDILUXLL-DMDPSCGWSA-N -1 0 344.238 3.712 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)CC(c1ccccc1)c1ccccc1 ZINC000236885544 1121466689 /nfs/dbraw/zinc/46/66/89/1121466689.db2.gz ZZQCQMFFXFACRQ-INIZCTEOSA-N -1 0 339.435 3.920 20 0 EHADRM CCC[C@@H](CC1CCCC1)C(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC000236874995 1121466726 /nfs/dbraw/zinc/46/67/26/1121466726.db2.gz VLCCYKFZBBXHOC-KRWDZBQOSA-N -1 0 347.455 3.763 20 0 EHADRM CCCc1cc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)sc1C ZINC000236957733 1121469437 /nfs/dbraw/zinc/46/94/37/1121469437.db2.gz DISHQYYDTRHYOT-ILXRZTDVSA-N -1 0 335.469 3.867 20 0 EHADRM CCOc1ccc(NC(=O)CC2(C(=O)[O-])CCCCCC2)cc1F ZINC000237003683 1121470803 /nfs/dbraw/zinc/47/08/03/1121470803.db2.gz OTTITBCCPIHVFK-UHFFFAOYSA-N -1 0 337.391 3.978 20 0 EHADRM COc1ccc(N)cc1S(=O)(=O)[N-]c1ccc(C2CCCC2)cc1 ZINC001212457484 1128986727 /nfs/dbraw/zinc/98/67/27/1128986727.db2.gz FULFLJIPFCUQDG-UHFFFAOYSA-N -1 0 346.452 3.736 20 0 EHADRM COc1ccc(C2(C(=O)N[C@H](CC(C)C)C(=O)[O-])CCCCC2)cc1 ZINC000237170208 1121476094 /nfs/dbraw/zinc/47/60/94/1121476094.db2.gz QKFAKUXIAXVNLO-QGZVFWFLSA-N -1 0 347.455 3.513 20 0 EHADRM COc1cc(CNC(=O)c2cc3ccccc3s2)ccc1C(=O)[O-] ZINC000237327317 1121481068 /nfs/dbraw/zinc/48/10/68/1121481068.db2.gz KBBAZBJFXABYNT-UHFFFAOYSA-N -1 0 341.388 3.538 20 0 EHADRM O=C([O-])CC1CCN(C(=O)/C=C/c2cc(Cl)ccc2Cl)CC1 ZINC000316589451 1121589502 /nfs/dbraw/zinc/58/95/02/1121589502.db2.gz XAOOFLFLDXZNRJ-DAFODLJHSA-N -1 0 342.222 3.720 20 0 EHADRM CCOc1ccc(OCC(=O)Nc2ccc3[n-]c(=S)oc3c2)cc1 ZINC000762963705 1121615002 /nfs/dbraw/zinc/61/50/02/1121615002.db2.gz ZREHEGGXHLAOLI-UHFFFAOYSA-N -1 0 344.392 3.533 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1c[nH]nc1-c1ccccc1 ZINC000762962862 1121615437 /nfs/dbraw/zinc/61/54/37/1121615437.db2.gz OWYAXBHAXQXDDB-UHFFFAOYSA-N -1 0 336.376 3.759 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@@H]2CCCc3sccc32)c1 ZINC000322870901 1121679122 /nfs/dbraw/zinc/67/91/22/1121679122.db2.gz YBGPEQHBSVGUOV-OAHLLOKOSA-N -1 0 329.421 3.824 20 0 EHADRM Cc1ccn(-c2ccc(C(=O)Nc3ccc(/C=C\C(=O)[O-])cc3)cc2)n1 ZINC000915855333 1121692524 /nfs/dbraw/zinc/69/25/24/1121692524.db2.gz QSIHHRYMZVGCCL-WCIBSUBMSA-N -1 0 347.374 3.531 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cn2)s1 ZINC000062545631 1121709218 /nfs/dbraw/zinc/70/92/18/1121709218.db2.gz KKOMNOPNRDSSAO-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM Cc1cc(F)cc(C)c1S(=O)(=O)Nc1ccccc1N1CCCC1 ZINC000326213262 1121845990 /nfs/dbraw/zinc/84/59/90/1121845990.db2.gz FKWFXHPKGGDSCC-UHFFFAOYSA-N -1 0 348.443 3.844 20 0 EHADRM CCc1ccc(NS(=O)(=O)c2ccc(CC)c(C(=O)[O-])c2)cc1C ZINC000326520832 1121957960 /nfs/dbraw/zinc/95/79/60/1121957960.db2.gz OXKLDKFZZXUJEK-UHFFFAOYSA-N -1 0 347.436 3.619 20 0 EHADRM CCC[C@@H](C(=O)[N-]S(=O)(=O)c1c(C)cccc1Cl)C(C)C ZINC000153782958 1121988113 /nfs/dbraw/zinc/98/81/13/1121988113.db2.gz DVSIHEGLQQUNOQ-GFCCVEGCSA-N -1 0 331.865 3.526 20 0 EHADRM O=C(OC/C=C\Cl)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000916608786 1122212365 /nfs/dbraw/zinc/21/23/65/1122212365.db2.gz LNEJWSBPQWPRBU-UTCJRWHESA-N -1 0 346.692 3.506 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1C(=O)Nc1ccccc1SCC(F)(F)F ZINC000328348135 1122213884 /nfs/dbraw/zinc/21/38/84/1122213884.db2.gz PETAILYGMSWMES-VHSXEESVSA-N -1 0 347.358 3.780 20 0 EHADRM O=C(Nc1cccc(OCc2cccnc2)c1)c1ccc(F)cc1[O-] ZINC000123458474 1122229673 /nfs/dbraw/zinc/22/96/73/1122229673.db2.gz VLSUJMVROKMNKJ-UHFFFAOYSA-N -1 0 338.338 3.758 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2-n2cccn2)c1 ZINC000123997452 1122272168 /nfs/dbraw/zinc/27/21/68/1122272168.db2.gz HQNOTKKTXXRKBR-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1c(O)cccc1O ZINC000125712216 1122326434 /nfs/dbraw/zinc/32/64/34/1122326434.db2.gz QZMZOBUKYAKNAD-UHFFFAOYSA-N -1 0 349.390 3.550 20 0 EHADRM CCSc1ccccc1C(=O)[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000916763177 1122343995 /nfs/dbraw/zinc/34/39/95/1122343995.db2.gz URROBNIMKIXCFP-UHFFFAOYSA-N -1 0 349.477 3.534 20 0 EHADRM O=c1cc(-c2ccc(Cl)cc2)[n-]n1-c1nc2cc(F)c(F)cc2[nH]1 ZINC000917345997 1122582878 /nfs/dbraw/zinc/58/28/78/1122582878.db2.gz VMJCVPNGKAAQCW-UHFFFAOYSA-N -1 0 346.724 3.636 20 0 EHADRM O=C([O-])Cn1c(/C=C/c2ccccc2C2CC2)nc2ccccc2c1=O ZINC000672773754 1129069749 /nfs/dbraw/zinc/06/97/49/1129069749.db2.gz JUOITJKUMVXOBL-VAWYXSNFSA-N -1 0 346.386 3.529 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)[C@@H]2CCC[C@H]21 ZINC000630280838 1122794759 /nfs/dbraw/zinc/79/47/59/1122794759.db2.gz ASRFQLOYQLRHBK-PYTCMNEWSA-N -1 0 333.472 3.695 20 0 EHADRM O=C([N-]S(=O)(=O)/C=C\c1ccccc1)c1cc2sccc2s1 ZINC000918479027 1122818549 /nfs/dbraw/zinc/81/85/49/1122818549.db2.gz OIZRQNNLODLZHA-CLFYSBASSA-N -1 0 349.458 3.693 20 0 EHADRM Cc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1Br ZINC000070140398 1122856186 /nfs/dbraw/zinc/85/61/86/1122856186.db2.gz FZDRPZGDSHIMOB-UHFFFAOYSA-N -1 0 344.205 3.697 20 0 EHADRM O=S(=O)(Cc1c(F)cccc1F)[N-]c1ccc(C2CCC2)cn1 ZINC000556264962 1122905362 /nfs/dbraw/zinc/90/53/62/1122905362.db2.gz JGQVPWTWWXJHHH-UHFFFAOYSA-N -1 0 338.379 3.569 20 0 EHADRM O=S(=O)([N-]c1cccc2ccncc21)c1cc(Cl)ccc1F ZINC000556348684 1122939053 /nfs/dbraw/zinc/93/90/53/1122939053.db2.gz GOJOEDKJWFHGQY-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NC2(c3ccccc3)CCCCC2)C1 ZINC000498628574 1122998052 /nfs/dbraw/zinc/99/80/52/1122998052.db2.gz WFDXEKPRUNDDKG-JKSUJKDBSA-N -1 0 329.440 3.853 20 0 EHADRM Cc1ccc(-c2cc(C(=O)OCc3cccc4cccnc43)n[nH]2)o1 ZINC000919329236 1123022687 /nfs/dbraw/zinc/02/26/87/1123022687.db2.gz LWJIYVVOTKCDNQ-UHFFFAOYSA-N -1 0 333.347 3.883 20 0 EHADRM CCCN(Cc1c([O-])nnn1-c1ccccc1)Cc1ccc(C)cc1 ZINC000919939389 1123239717 /nfs/dbraw/zinc/23/97/17/1123239717.db2.gz RJRFULPOLNTPBC-UHFFFAOYSA-N -1 0 336.439 3.694 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)c2ccc(OCC3CC3)cc2)cc1 ZINC000920002415 1123260860 /nfs/dbraw/zinc/26/08/60/1123260860.db2.gz JEAMZDHRMCWLPL-XGICHPGQSA-N -1 0 337.375 3.826 20 0 EHADRM CC(C)(C)OCc1cccc(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c1 ZINC000262998781 1123293079 /nfs/dbraw/zinc/29/30/79/1123293079.db2.gz WUFOTHZTYJUDGB-QAQDUYKDSA-N -1 0 347.455 3.509 20 0 EHADRM O=C([O-])CCCCCCNC(=O)CCc1ccc2ccccc2c1 ZINC000263066572 1123386430 /nfs/dbraw/zinc/38/64/30/1123386430.db2.gz YZFAWGATRNAIPR-UHFFFAOYSA-N -1 0 327.424 3.924 20 0 EHADRM CC[C@H](C)[C@H](C)C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC000263067143 1123386940 /nfs/dbraw/zinc/38/69/40/1123386940.db2.gz IWTRIOJMMAZUNK-GVAFMPQTSA-N -1 0 337.847 3.649 20 0 EHADRM Cc1c(NC(=O)c2ccc(Cl)cc2[O-])cccc1N1CCOC1=O ZINC000075545686 1123401745 /nfs/dbraw/zinc/40/17/45/1123401745.db2.gz RCQVKBDNSPCRDH-UHFFFAOYSA-N -1 0 346.770 3.563 20 0 EHADRM CC[C@H](Oc1ccccc1Cl)C(=O)NCC(CC)(CC)C(=O)[O-] ZINC000237013539 1123488020 /nfs/dbraw/zinc/48/80/20/1123488020.db2.gz JSGFUEJQGXBQPT-ZDUSSCGKSA-N -1 0 341.835 3.505 20 0 EHADRM Cc1nccc(-c2cccc(NC(=O)c3c([O-])cc(F)cc3F)c2)n1 ZINC000066044822 1129125853 /nfs/dbraw/zinc/12/58/53/1129125853.db2.gz JCQHOTROCJYNHH-UHFFFAOYSA-N -1 0 341.317 3.688 20 0 EHADRM O=C(Cc1ccccc1OC(F)F)Nc1cccc(Cl)c1[O-] ZINC000077011835 1123529653 /nfs/dbraw/zinc/52/96/53/1123529653.db2.gz QXSRURLVHHZVKN-UHFFFAOYSA-N -1 0 327.714 3.828 20 0 EHADRM O=S(=O)(NC[C@@H]1Cc2ccccc21)c1cccc(Cl)c1Cl ZINC000195537909 1123543064 /nfs/dbraw/zinc/54/30/64/1123543064.db2.gz YGWVIZQDBBQJLS-NSHDSACASA-N -1 0 342.247 3.612 20 0 EHADRM O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccc(Cl)cc1[O-] ZINC000078409435 1123626653 /nfs/dbraw/zinc/62/66/53/1123626653.db2.gz SFBOTKMZTVBMSW-UHFFFAOYSA-N -1 0 330.771 3.646 20 0 EHADRM O=S(=O)(Cc1ccccc1)[N-]c1nc2cc(Cl)ccc2s1 ZINC000135550344 1123626832 /nfs/dbraw/zinc/62/68/32/1123626832.db2.gz ANXJFAXBUKWESH-UHFFFAOYSA-N -1 0 338.841 3.892 20 0 EHADRM C[C@@H](O)c1ccc(CNC(=O)c2c([O-])cc(Cl)cc2Cl)cc1 ZINC000175203729 1123630154 /nfs/dbraw/zinc/63/01/54/1123630154.db2.gz CQBPSRSJHNKRDT-SECBINFHSA-N -1 0 340.206 3.682 20 0 EHADRM CC[C@@H]1CCCN(C(=O)c2ccc(Br)cc2O)CC1 ZINC000079055453 1123666953 /nfs/dbraw/zinc/66/69/53/1123666953.db2.gz UKJTWEFCWCHSJC-LLVKDONJSA-N -1 0 326.234 3.807 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1cccc(OCc2ccc(F)cc2)c1 ZINC000263316487 1123794255 /nfs/dbraw/zinc/79/42/55/1123794255.db2.gz QIASZLGIVYDYBK-UHFFFAOYSA-N -1 0 345.370 3.988 20 0 EHADRM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000263333314 1123805200 /nfs/dbraw/zinc/80/52/00/1123805200.db2.gz QICYJQZGHLLVGG-GBOPCIDUSA-N -1 0 337.847 3.791 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N(CC2CCCCC2)C2CC2)s1 ZINC000615470487 1123810223 /nfs/dbraw/zinc/81/02/23/1123810223.db2.gz LGIPNKYOWQUGSG-UHFFFAOYSA-N -1 0 340.518 3.649 20 0 EHADRM Cc1ccc(SCC(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)cc1 ZINC000237762743 1123849809 /nfs/dbraw/zinc/84/98/09/1123849809.db2.gz UZTUYVGCGPINKK-KRWDZBQOSA-N -1 0 343.448 3.728 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000179976688 1123910824 /nfs/dbraw/zinc/91/08/24/1123910824.db2.gz AVTCBHDKTRWHSG-RDBSUJKOSA-N -1 0 329.396 3.809 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)Cc2c[nH]c3cc(F)ccc23)cc1 ZINC000237943215 1123922946 /nfs/dbraw/zinc/92/29/46/1123922946.db2.gz GAYNHHUHYVDUPQ-FPYGCLRLSA-N -1 0 338.338 3.586 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1 ZINC000237947254 1123925720 /nfs/dbraw/zinc/92/57/20/1123925720.db2.gz CJILVQVTLQIOMX-UDEVJOAWSA-N -1 0 325.339 3.666 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)c2cnc(-c3ccco3)s2)cc1 ZINC000237958222 1123930603 /nfs/dbraw/zinc/93/06/03/1123930603.db2.gz XQBZHZRFRRPNKW-VMPITWQZSA-N -1 0 340.360 3.753 20 0 EHADRM CCC(CC)CN(CC)C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000081940237 1123932841 /nfs/dbraw/zinc/93/28/41/1123932841.db2.gz VUPGOJPZQHSUJO-UHFFFAOYSA-N -1 0 333.407 3.615 20 0 EHADRM O=C([O-])CCCCCCNC(=O)C1(c2cccc(F)c2)CCCC1 ZINC000238113498 1123982395 /nfs/dbraw/zinc/98/23/95/1123982395.db2.gz CVDPOFLHAIEUCQ-UHFFFAOYSA-N -1 0 335.419 3.789 20 0 EHADRM CC(C)CCc1nnc(NC(=O)c2cc(F)c([O-])c(Cl)c2)s1 ZINC000617095671 1124083381 /nfs/dbraw/zinc/08/33/81/1124083381.db2.gz ZGOVXNFAUHWLQD-UHFFFAOYSA-N -1 0 343.811 3.877 20 0 EHADRM CCCCC[C@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)C(C)(C)C ZINC000734552898 1131251552 /nfs/dbraw/zinc/25/15/52/1131251552.db2.gz WLHSJGRSABFVEH-HNNXBMFYSA-N -1 0 345.443 3.755 20 0 EHADRM O=C(Cc1csc2ccccc12)N=c1cc(-c2cccs2)[nH][nH]1 ZINC000617367290 1124500022 /nfs/dbraw/zinc/50/00/22/1124500022.db2.gz OAUQXJLQZQKFEH-UHFFFAOYSA-N -1 0 339.445 3.956 20 0 EHADRM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2C#N)c1 ZINC000181144916 1124572959 /nfs/dbraw/zinc/57/29/59/1124572959.db2.gz CNBZINLBNZIRAV-UHFFFAOYSA-N -1 0 348.811 3.524 20 0 EHADRM CCOc1ccc(-c2nc(CN(CC(=O)[O-])C(C)C)cs2)cc1 ZINC000263578017 1124666685 /nfs/dbraw/zinc/66/66/85/1124666685.db2.gz SEKQQLRPVXUIOU-UHFFFAOYSA-N -1 0 334.441 3.504 20 0 EHADRM CCCOc1ccc(O[C@H]2CCCC[C@@H]2[N-]C(=O)C(F)(F)F)cc1 ZINC000735062760 1131305562 /nfs/dbraw/zinc/30/55/62/1131305562.db2.gz NLLCWCFSVDYSHZ-GJZGRUSLSA-N -1 0 345.361 3.844 20 0 EHADRM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)C(C)(C)c2ccccc2)c1 ZINC000069593227 1124921844 /nfs/dbraw/zinc/92/18/44/1124921844.db2.gz YSQZCONNRNCYCZ-UHFFFAOYSA-N -1 0 345.420 3.512 20 0 EHADRM O=S(=O)([N-]c1scnc1-c1ccccc1)c1ccc(F)cc1 ZINC000091055048 1124952250 /nfs/dbraw/zinc/95/22/50/1124952250.db2.gz XKSOWNXUQFLITG-UHFFFAOYSA-N -1 0 334.397 3.750 20 0 EHADRM Cc1cc2cc([N-]S(=O)(=O)c3cnc(Cl)c(C)c3)ccc2[nH]1 ZINC000735266874 1131327780 /nfs/dbraw/zinc/32/77/80/1131327780.db2.gz AKIASGPYVQEFQQ-UHFFFAOYSA-N -1 0 335.816 3.634 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@H](C)Cc1cccc(F)c1 ZINC000181882323 1125076442 /nfs/dbraw/zinc/07/64/42/1125076442.db2.gz FORYUAJNZSRDQF-KDOFPFPSSA-N -1 0 343.398 3.645 20 0 EHADRM CC(C)(C)C1CCN(C(=O)c2nn(-c3cccc(F)c3)cc2[O-])CC1 ZINC000572546606 1125173685 /nfs/dbraw/zinc/17/36/85/1125173685.db2.gz FXRLYXWQOKHAMB-UHFFFAOYSA-N -1 0 345.418 3.615 20 0 EHADRM CCCC[C@@H](CC)CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000735395809 1131339497 /nfs/dbraw/zinc/33/94/97/1131339497.db2.gz DWLPTAYGMNAYCD-OAHLLOKOSA-N -1 0 325.474 3.715 20 0 EHADRM CCCC[C@H](CC)CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000735395858 1131339761 /nfs/dbraw/zinc/33/97/61/1131339761.db2.gz GMVIPPLVTSDWEN-AWEZNQCLSA-N -1 0 337.485 3.587 20 0 EHADRM CC(=O)c1cc(F)c([N-]C(=O)c2nc(Cl)ccc2F)c(F)c1F ZINC000763535593 1125327295 /nfs/dbraw/zinc/32/72/95/1125327295.db2.gz IOKLTMQZSMSDOA-UHFFFAOYSA-N -1 0 346.667 3.746 20 0 EHADRM O=S(=O)([N-][C@H]1CCc2c1cccc2Cl)c1c(F)cccc1F ZINC000619521406 1125359939 /nfs/dbraw/zinc/35/99/39/1125359939.db2.gz WVGYCBDVCVWLQM-AWEZNQCLSA-N -1 0 343.782 3.584 20 0 EHADRM Cc1ccc(C)c(C(=O)Nc2ccc3c(c2)CCCO3)c1C(=O)[O-] ZINC000383720975 1125378531 /nfs/dbraw/zinc/37/85/31/1125378531.db2.gz KBTFONGJKQJOJR-UHFFFAOYSA-N -1 0 325.364 3.579 20 0 EHADRM C[C@@H]1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)[C@@H](C(=O)[O-])C1 ZINC000322375953 1125412563 /nfs/dbraw/zinc/41/25/63/1125412563.db2.gz BTEBTIXUZHPCEK-BXUZGUMPSA-N -1 0 334.803 3.680 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)c2ccc(SC3CC3)cc2)s1 ZINC000543074487 1129188523 /nfs/dbraw/zinc/18/85/23/1129188523.db2.gz RZDOBRWHGMEDLR-UHFFFAOYSA-N -1 0 333.482 3.764 20 0 EHADRM O=C([O-])c1cnc(C=Cc2ccc(-c3cccs3)cc2F)[nH]c1=O ZINC000670370000 1129211972 /nfs/dbraw/zinc/21/19/72/1129211972.db2.gz PSXZNMGJKVBLIE-WAYWQWQTSA-N -1 0 342.351 3.918 20 0 EHADRM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000314576733 1129267360 /nfs/dbraw/zinc/26/73/60/1129267360.db2.gz YNLRZMFJNDCSBW-RYUDHWBXSA-N -1 0 342.222 3.619 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000478822352 1129274434 /nfs/dbraw/zinc/27/44/34/1129274434.db2.gz PMYOXXFVOILQFU-MRXNPFEDSA-N -1 0 329.371 3.694 20 0 EHADRM CCCCOc1ccccc1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000478827955 1129275601 /nfs/dbraw/zinc/27/56/01/1129275601.db2.gz MBYADZCNZPTLAF-UHFFFAOYSA-N -1 0 331.343 3.955 20 0 EHADRM C[C@]1(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)CCc2ccccc2C1 ZINC000079943652 1129309147 /nfs/dbraw/zinc/30/91/47/1129309147.db2.gz BUUNTZCAQUFCCB-FQEVSTJZSA-N -1 0 349.390 3.576 20 0 EHADRM Cc1cc([N-]c2nnc(-c3ccccn3)s2)nn1[C@@H](C)C1CC1 ZINC000673443886 1129412116 /nfs/dbraw/zinc/41/21/16/1129412116.db2.gz ONEURWMYZABJAX-NSHDSACASA-N -1 0 326.429 3.820 20 0 EHADRM CCCCOc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1OC ZINC000013095081 1129499327 /nfs/dbraw/zinc/49/93/27/1129499327.db2.gz NPMYMZSHCKTBTC-UHFFFAOYSA-N -1 0 343.379 3.825 20 0 EHADRM CC[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccc(OC)cc1 ZINC000013181747 1129509036 /nfs/dbraw/zinc/50/90/36/1129509036.db2.gz INTJXAUFZJOHCT-HNNXBMFYSA-N -1 0 330.340 3.865 20 0 EHADRM O=C(CCCc1ccc(O)c(F)c1)OC[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000922636509 1129606443 /nfs/dbraw/zinc/60/64/43/1129606443.db2.gz OYOPSGFZGDMTPR-CLLJXQQHSA-N -1 0 328.330 3.689 20 0 EHADRM N#Cc1ccc(N2CCC[C@@H](CCC(=O)[O-])C2)cc1C(F)(F)F ZINC000390697231 1129629549 /nfs/dbraw/zinc/62/95/49/1129629549.db2.gz RZXWIMYJUOEAEK-NSHDSACASA-N -1 0 326.318 3.658 20 0 EHADRM CCOc1cc(CN=c2[n-]nc(C(C)C)s2)ccc1OC(F)F ZINC000347802600 1129823064 /nfs/dbraw/zinc/82/30/64/1129823064.db2.gz WFIWWCHHIIYBBR-UHFFFAOYSA-N -1 0 343.399 3.696 20 0 EHADRM Cc1noc(=NCc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)[n-]1 ZINC000347804638 1129833813 /nfs/dbraw/zinc/83/38/13/1129833813.db2.gz AQXDUCUROQYSJS-UHFFFAOYSA-N -1 0 345.406 3.573 20 0 EHADRM c1cc(CN=c2[n-]nc(C3CC3)o2)cc(OCC2CCCCC2)c1 ZINC000347816555 1129872791 /nfs/dbraw/zinc/87/27/91/1129872791.db2.gz NURWULRRUGVOTQ-UHFFFAOYSA-N -1 0 327.428 3.940 20 0 EHADRM COC(=O)c1c(C)csc1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212511047 1129873759 /nfs/dbraw/zinc/87/37/59/1129873759.db2.gz PRAOQAYUTMPACW-UHFFFAOYSA-N -1 0 327.308 3.563 20 0 EHADRM CCCN(CC)c1ccc(C(=O)Nc2ccc(O)c(Cl)c2)cn1 ZINC000509162080 1129874443 /nfs/dbraw/zinc/87/44/43/1129874443.db2.gz BJNJIFQAWVCBOF-UHFFFAOYSA-N -1 0 333.819 3.929 20 0 EHADRM Cc1ocnc1C(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000347842946 1129915689 /nfs/dbraw/zinc/91/56/89/1129915689.db2.gz HKHCUPLBNJIGPO-UHFFFAOYSA-N -1 0 338.751 3.546 20 0 EHADRM Nc1c(F)c(F)c(Nc2ccc(C(=O)[O-])c(F)c2F)c(F)c1F ZINC001212514505 1129927008 /nfs/dbraw/zinc/92/70/08/1129927008.db2.gz WMKPSDZJLCNMQG-UHFFFAOYSA-N -1 0 336.191 3.545 20 0 EHADRM CC(C)CNC(=O)c1cccc(Nc2ccc(C(=O)[O-])c(F)c2F)c1 ZINC001212514708 1129927275 /nfs/dbraw/zinc/92/72/75/1129927275.db2.gz IPKITHFBLKWVDS-UHFFFAOYSA-N -1 0 348.349 3.792 20 0 EHADRM O=C(NCc1ccc(O)c(F)c1)c1ccccc1C(=O)c1ccccc1 ZINC000133063385 1129930958 /nfs/dbraw/zinc/93/09/58/1129930958.db2.gz RWOPIGLXDFEXIH-UHFFFAOYSA-N -1 0 349.361 3.692 20 0 EHADRM O=C(NCc1ccc(O)c(F)c1)c1occc1COc1ccccc1 ZINC000133213053 1129937679 /nfs/dbraw/zinc/93/76/79/1129937679.db2.gz KQBNMUNLABFLHD-UHFFFAOYSA-N -1 0 341.338 3.633 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000003554928 1129941685 /nfs/dbraw/zinc/94/16/85/1129941685.db2.gz AXMVWKCTAVHVAM-UHFFFAOYSA-N -1 0 327.352 3.554 20 0 EHADRM CCOc1cccc(CN=c2[n-]nc(C[C@@H](C)CC(C)(C)C)o2)n1 ZINC000347863379 1129942735 /nfs/dbraw/zinc/94/27/35/1129942735.db2.gz ASCRRBQOLZRNCU-CYBMUJFWSA-N -1 0 332.448 3.512 20 0 EHADRM c1cc(Cc2n[n-]c(=NCc3ccccc3OCC3CC3)o2)cs1 ZINC000347888718 1129983552 /nfs/dbraw/zinc/98/35/52/1129983552.db2.gz VMFJEYCYKBXGIA-UHFFFAOYSA-N -1 0 341.436 3.545 20 0 EHADRM CC1(CNC(=O)N=c2[n-]nc(SCc3ccccc3)s2)CCC1 ZINC000429220554 1129990674 /nfs/dbraw/zinc/99/06/74/1129990674.db2.gz KBQZHNSBPRPLJC-UHFFFAOYSA-N -1 0 348.497 3.564 20 0 EHADRM CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1cccc(COC)c1 ZINC000171336857 1130047075 /nfs/dbraw/zinc/04/70/75/1130047075.db2.gz FGJSHWBKHFXQBD-UHFFFAOYSA-N -1 0 349.452 3.731 20 0 EHADRM CSc1ccncc1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000674715332 1130178806 /nfs/dbraw/zinc/17/88/06/1130178806.db2.gz OKHSLWPCSLUXKR-UHFFFAOYSA-N -1 0 349.264 3.911 20 0 EHADRM Cc1ccccc1[C@@H]1CN(C(=O)c2c([O-])cc(F)cc2F)[C@@H](C)CO1 ZINC000174345364 1130352890 /nfs/dbraw/zinc/35/28/90/1130352890.db2.gz VOMJMOLNWBMQMR-SJCJKPOMSA-N -1 0 347.361 3.581 20 0 EHADRM Cn1c2ccccc2c(Cl)c1C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC000675992480 1130513732 /nfs/dbraw/zinc/51/37/32/1130513732.db2.gz FTWLJNMPMJLRSM-UHFFFAOYSA-N -1 0 348.830 3.691 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)c2cccc(Oc3ccccc3)c2)C1 ZINC000676215791 1130549200 /nfs/dbraw/zinc/54/92/00/1130549200.db2.gz CLMUWXIKZFQYLJ-OAHLLOKOSA-N -1 0 339.391 3.806 20 0 EHADRM CC[C@@H](CC(=O)[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C)C(C)C ZINC000729886809 1130652606 /nfs/dbraw/zinc/65/26/06/1130652606.db2.gz LROYNWTXJXZRJI-INIZCTEOSA-N -1 0 339.501 3.797 20 0 EHADRM CCCC[C@H](CCC)OC(=O)c1ccc(F)cc1[N-]S(C)(=O)=O ZINC000730300186 1130697061 /nfs/dbraw/zinc/69/70/61/1130697061.db2.gz XFEGAPOCUXCHTB-ZDUSSCGKSA-N -1 0 345.436 3.713 20 0 EHADRM Cc1cc(C)cc(OCCO[N-]C(=O)C(C)(C)c2ccccc2)c1 ZINC000731210780 1130776627 /nfs/dbraw/zinc/77/66/27/1130776627.db2.gz NGIXISREANOINA-UHFFFAOYSA-N -1 0 327.424 3.708 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(C)c2)c1 ZINC000731782493 1130846573 /nfs/dbraw/zinc/84/65/73/1130846573.db2.gz SGKRYXCLWLEUFJ-UHFFFAOYSA-N -1 0 348.443 3.844 20 0 EHADRM O=C(NC1CCC(c2ccccc2)CC1)c1n[n-]c2ccccc2c1=O ZINC000731868489 1130856007 /nfs/dbraw/zinc/85/60/07/1130856007.db2.gz GPAYXEKAHKQQMT-UHFFFAOYSA-N -1 0 347.418 3.792 20 0 EHADRM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ncccc1C(C)C ZINC000751595387 1130874656 /nfs/dbraw/zinc/87/46/56/1130874656.db2.gz UFNMBUYUZAPWBG-UHFFFAOYSA-N -1 0 340.832 3.668 20 0 EHADRM CCCCCOC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000733014690 1130984610 /nfs/dbraw/zinc/98/46/10/1130984610.db2.gz UCLCQURIOYZHHS-UHFFFAOYSA-N -1 0 338.201 3.638 20 0 EHADRM CCC(CC)CS(=O)(=O)[N-]C(=O)CCc1ccc2ccccc2c1 ZINC000733061261 1130990097 /nfs/dbraw/zinc/99/00/97/1130990097.db2.gz CDDSCOYMRLVDMW-UHFFFAOYSA-N -1 0 347.480 3.655 20 0 EHADRM CCC(CC)CS(=O)(=O)[N-]C(=O)c1ccc(SC(C)C)cc1 ZINC000733060721 1130990118 /nfs/dbraw/zinc/99/01/18/1130990118.db2.gz ZNBGIDPUOOQFFC-UHFFFAOYSA-N -1 0 343.514 3.683 20 0 EHADRM CCC[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000733677154 1131066220 /nfs/dbraw/zinc/06/62/20/1131066220.db2.gz SLWZVQXIQJGUIA-CQSZACIVSA-N -1 0 343.514 3.940 20 0 EHADRM Cc1c(C(=O)N[C@@H]2CC[C@H](CC(=O)[O-])C2)sc2cccc(F)c12 ZINC000379082809 1131169159 /nfs/dbraw/zinc/16/91/59/1131169159.db2.gz YHPGZOGQPZYSLV-WDEREUQCSA-N -1 0 335.400 3.722 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000734080831 1131194167 /nfs/dbraw/zinc/19/41/67/1131194167.db2.gz AZYSTQDLVBBKRE-INIZCTEOSA-N -1 0 329.506 3.619 20 0 EHADRM C[C@@H]1CN(c2ccc(NC(=O)c3cc(Cl)ccc3[O-])cc2)CCO1 ZINC000736491091 1131424028 /nfs/dbraw/zinc/42/40/28/1131424028.db2.gz GRWOIASLYNGPHV-GFCCVEGCSA-N -1 0 346.814 3.523 20 0 EHADRM O=S(=O)(Oc1ccc(Cl)cc1C1CCCCC1)c1cnc[n-]1 ZINC000736626065 1131428342 /nfs/dbraw/zinc/42/83/42/1131428342.db2.gz VDMWVTRJSNHION-UHFFFAOYSA-N -1 0 340.832 3.879 20 0 EHADRM CC(C)c1ocnc1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000737655964 1131453145 /nfs/dbraw/zinc/45/31/45/1131453145.db2.gz VRUTVIWUFNPBTK-UHFFFAOYSA-N -1 0 330.365 3.963 20 0 EHADRM CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1 ZINC000744166865 1132030759 /nfs/dbraw/zinc/03/07/59/1132030759.db2.gz WHDWDLNVFCPSQY-LSDHHAIUSA-N -1 0 325.474 3.800 20 0 EHADRM COc1ccc(C(C)C)cc1[N-]S(=O)(=O)c1ccc(C)c(N)c1 ZINC001173915875 1132174000 /nfs/dbraw/zinc/17/40/00/1132174000.db2.gz ZPVXLSVMGBDSQL-UHFFFAOYSA-N -1 0 334.441 3.510 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000745966521 1132341185 /nfs/dbraw/zinc/34/11/85/1132341185.db2.gz MZYQBKZYYBAGGW-CQSZACIVSA-N -1 0 341.448 3.546 20 0 EHADRM O=C(Nc1ccc(-c2c[nH]cn2)cc1)c1ccc2[n-]c(=S)oc2c1 ZINC000746102360 1132372867 /nfs/dbraw/zinc/37/28/67/1132372867.db2.gz AKJAZROBRIJPTC-UHFFFAOYSA-N -1 0 336.376 3.759 20 0 EHADRM CCOc1ncccc1Nc1ccc2ccccc2c1S(=O)(=O)[O-] ZINC001174457642 1132375721 /nfs/dbraw/zinc/37/57/21/1132375721.db2.gz KCVRYQQDIGNRFR-UHFFFAOYSA-N -1 0 344.392 3.624 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ncc(Br)cc1C ZINC001174671702 1132432173 /nfs/dbraw/zinc/43/21/73/1132432173.db2.gz ZAPIMUMJFXXTDX-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1sc(C)nc1C(F)(F)F ZINC001174673299 1132432613 /nfs/dbraw/zinc/43/26/13/1132432613.db2.gz CVRQLLGIHQVONI-UHFFFAOYSA-N -1 0 332.303 3.921 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cnc(Br)cc1C ZINC001174674376 1132433032 /nfs/dbraw/zinc/43/30/32/1132433032.db2.gz WUVQYHODEUNYOI-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc(C(=O)C(F)(F)F)cc1 ZINC001174677865 1132434177 /nfs/dbraw/zinc/43/41/77/1132434177.db2.gz SWZDHUHTNUOOMS-UHFFFAOYSA-N -1 0 339.269 3.882 20 0 EHADRM COc1cc(OC)c(Nc2ccc(C(=O)[O-])cc2OC)cc1Cl ZINC001174677957 1132434243 /nfs/dbraw/zinc/43/42/43/1132434243.db2.gz UPXFRXNBTYPDOP-UHFFFAOYSA-N -1 0 337.759 3.808 20 0 EHADRM COc1cc(Nc2c(O)cccc2C(F)(F)F)ccc1C(=O)[O-] ZINC001174686776 1132436977 /nfs/dbraw/zinc/43/69/77/1132436977.db2.gz ISSFEHVDEOTOMW-UHFFFAOYSA-N -1 0 327.258 3.861 20 0 EHADRM COc1c(F)ccc(F)c1Nc1ccc(S(=O)(=O)[O-])cc1Cl ZINC001174665226 1132443243 /nfs/dbraw/zinc/44/32/43/1132443243.db2.gz VFUMUCQVXZSEQS-UHFFFAOYSA-N -1 0 349.742 3.617 20 0 EHADRM O=C(CCc1c[nH]cn1)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000189535714 1132445949 /nfs/dbraw/zinc/44/59/49/1132445949.db2.gz PDKAJJWAEONJOX-UHFFFAOYSA-N -1 0 334.590 3.647 20 0 EHADRM CN(C)c1ccc(C2CCN(C(=O)c3c([O-])cccc3F)CC2)cc1 ZINC000773406394 1132465447 /nfs/dbraw/zinc/46/54/47/1132465447.db2.gz CNEAWADHGCATHT-UHFFFAOYSA-N -1 0 342.414 3.617 20 0 EHADRM O=C([O-])c1ccc(Nc2cccc(F)c2OC[C@H]2CCCO2)s1 ZINC001174808487 1132478767 /nfs/dbraw/zinc/47/87/67/1132478767.db2.gz RTTHPTRTNONYQX-SNVBAGLBSA-N -1 0 337.372 3.887 20 0 EHADRM COc1ccc(Cn2ncc(C)c2Nc2ccc(C(=O)[O-])s2)cc1 ZINC001174807800 1132478796 /nfs/dbraw/zinc/47/87/96/1132478796.db2.gz OFYUZUXYBGEFNC-UHFFFAOYSA-N -1 0 343.408 3.752 20 0 EHADRM CC(=O)N1CC(C)(C)c2ccc(Nc3ccc(C(=O)[O-])s3)cc21 ZINC001174809831 1132480139 /nfs/dbraw/zinc/48/01/39/1132480139.db2.gz UIFXQRYUBUZHEF-UHFFFAOYSA-N -1 0 330.409 3.834 20 0 EHADRM Cc1cc(C)c(Nc2cccc3ncccc32)c(S(=O)(=O)[O-])c1 ZINC001174908932 1132501505 /nfs/dbraw/zinc/50/15/05/1132501505.db2.gz XGTNLHXNYHWHIV-UHFFFAOYSA-N -1 0 328.393 3.842 20 0 EHADRM Nc1cccc2c(Br)cn(-c3ccc(CC(=O)[O-])cc3)c21 ZINC001174955200 1132517610 /nfs/dbraw/zinc/51/76/10/1132517610.db2.gz UCPOHVKKIMFRDA-UHFFFAOYSA-N -1 0 345.196 3.602 20 0 EHADRM O=C([O-])Cc1ccc(Nc2ccc(OC3CCOCC3)cc2)cc1 ZINC001174954960 1132517754 /nfs/dbraw/zinc/51/77/54/1132517754.db2.gz VKTGPULWZXLESG-UHFFFAOYSA-N -1 0 327.380 3.615 20 0 EHADRM O=C([O-])Cc1ccc(Nc2ccc(Oc3cc[nH]c(=O)c3)cc2)cc1 ZINC001174955048 1132517898 /nfs/dbraw/zinc/51/78/98/1132517898.db2.gz ZTYJXGBFVXGENI-UHFFFAOYSA-N -1 0 336.347 3.950 20 0 EHADRM COc1c(C)cc(Nc2c(C)cc(C)cc2S(=O)(=O)[O-])cc1C ZINC001174999208 1132525412 /nfs/dbraw/zinc/52/54/12/1132525412.db2.gz NYIVYIDXKJCVCH-UHFFFAOYSA-N -1 0 335.425 3.919 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1cc(C(C)(C)C)sc1C(N)=O ZINC001174980989 1132533928 /nfs/dbraw/zinc/53/39/28/1132533928.db2.gz FPHHNHNKVIEJQB-UHFFFAOYSA-N -1 0 332.425 3.895 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1ccccc1S(=O)(=O)C(C)C ZINC001174982541 1132535412 /nfs/dbraw/zinc/53/54/12/1132535412.db2.gz RDRDMMRWDBLGDG-UHFFFAOYSA-N -1 0 333.409 3.619 20 0 EHADRM COc1cc(C)c(Nc2ccc(S(=O)(=O)[O-])cc2Cl)cc1C ZINC001175116326 1132558181 /nfs/dbraw/zinc/55/81/81/1132558181.db2.gz JAVGSTBQEFTKAP-UHFFFAOYSA-N -1 0 341.816 3.956 20 0 EHADRM COc1ccccc1-c1cc(Nc2ccc(C(=O)[O-])c(F)c2)n(C)n1 ZINC001175154084 1132568632 /nfs/dbraw/zinc/56/86/32/1132568632.db2.gz CBIGEIFKWMAIFK-UHFFFAOYSA-N -1 0 341.342 3.677 20 0 EHADRM CN(c1ccc(C(=O)[O-])c(F)c1)c1cc(Br)ccc1N ZINC001175160569 1132571506 /nfs/dbraw/zinc/57/15/06/1132571506.db2.gz PXEBLIXTZYUEHV-UHFFFAOYSA-N -1 0 339.164 3.637 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc3nnc(-c4ccccc4)n3c2)cc1F ZINC001175161359 1132574699 /nfs/dbraw/zinc/57/46/99/1132574699.db2.gz OELMQGUBTHSEOU-UHFFFAOYSA-N -1 0 348.337 3.977 20 0 EHADRM CC(C)(C)NC(=O)c1ccccc1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175219225 1132597853 /nfs/dbraw/zinc/59/78/53/1132597853.db2.gz ZQKFBLAZBKEYIG-UHFFFAOYSA-N -1 0 330.359 3.796 20 0 EHADRM COc1cc(OC)c(F)c(Nc2ccc(F)c(C(=O)[O-])c2)c1F ZINC001175219164 1132597919 /nfs/dbraw/zinc/59/79/19/1132597919.db2.gz WPWBOAPZXGHWLG-UHFFFAOYSA-N -1 0 327.258 3.563 20 0 EHADRM Cc1cc(N)c(Nc2ccc(F)c(C(=O)[O-])c2)cc1Br ZINC001175220662 1132598913 /nfs/dbraw/zinc/59/89/13/1132598913.db2.gz VUOJECCCRQDZER-UHFFFAOYSA-N -1 0 339.164 3.921 20 0 EHADRM COC(=O)c1cccc2c(Nc3ccc(F)c(C(=O)[O-])c3)ccnc12 ZINC001175220413 1132599189 /nfs/dbraw/zinc/59/91/89/1132599189.db2.gz OOISSDITWJEFRC-UHFFFAOYSA-N -1 0 340.310 3.602 20 0 EHADRM COc1cccc(CCC(=O)Nc2ccc3[n-]c(=S)sc3c2)n1 ZINC001175341542 1132626171 /nfs/dbraw/zinc/62/61/71/1132626171.db2.gz OXTUFGUDKHCHMM-UHFFFAOYSA-N -1 0 345.449 3.560 20 0 EHADRM Cn1nc(Nc2ccc(C(=O)[O-])c(Cl)c2)c2ccc(Cl)nc21 ZINC001175315412 1132636167 /nfs/dbraw/zinc/63/61/67/1132636167.db2.gz FLJDSUKWGJDPRG-UHFFFAOYSA-N -1 0 337.166 3.717 20 0 EHADRM O=C([O-])c1ccc(Nc2cccc(F)c2OC2COC2)cc1Cl ZINC001175320692 1132638022 /nfs/dbraw/zinc/63/80/22/1132638022.db2.gz JDOSFUGKERGWPE-UHFFFAOYSA-N -1 0 337.734 3.699 20 0 EHADRM CCOc1cnc(Br)c(Nc2cccc(C(=O)[O-])c2)c1 ZINC001175327143 1132639098 /nfs/dbraw/zinc/63/90/98/1132639098.db2.gz CGWHILJEXLPXRG-UHFFFAOYSA-N -1 0 337.173 3.685 20 0 EHADRM Cc1n[nH]c(C(=O)N[C@H]2CCC(C)(C)C[C@@H]2c2ccccc2)c1[O-] ZINC001175329873 1132640251 /nfs/dbraw/zinc/64/02/51/1132640251.db2.gz MZVXLENTNDGZIX-CABCVRRESA-N -1 0 327.428 3.516 20 0 EHADRM CC(C)(C)OC(=O)c1ccc(Nc2cccc(C(=O)[O-])c2)cc1O ZINC001175334690 1132641874 /nfs/dbraw/zinc/64/18/74/1132641874.db2.gz JFTPHKBEZDDSJF-UHFFFAOYSA-N -1 0 329.352 3.789 20 0 EHADRM CC[C@@H](NC(=O)c1ccc2oc(=S)[n-]c2c1)C(=O)c1ccccc1 ZINC001175534488 1132702864 /nfs/dbraw/zinc/70/28/64/1132702864.db2.gz MMCGOSFGCTUYLV-CYBMUJFWSA-N -1 0 340.404 3.508 20 0 EHADRM Cn1cc2ccc(Nc3c(Cl)c(F)[n-]c(=O)c3Cl)cc2n1 ZINC001175611366 1132725912 /nfs/dbraw/zinc/72/59/12/1132725912.db2.gz QXJRHPFREYLHHP-UHFFFAOYSA-N -1 0 327.146 3.863 20 0 EHADRM O=C(Nc1nccc(Br)c1[O-])c1ccc2ccccc2c1 ZINC001169372103 1132735486 /nfs/dbraw/zinc/73/54/86/1132735486.db2.gz JUTHNAOOOVIZBY-UHFFFAOYSA-N -1 0 343.180 3.955 20 0 EHADRM CCCCC[C@H](C(=O)[N-]S(=O)(=O)CCCC(F)(F)F)C(C)C ZINC000766676382 1132746088 /nfs/dbraw/zinc/74/60/88/1132746088.db2.gz VSRMSWXQMMQJAZ-LBPRGKRZSA-N -1 0 345.427 3.627 20 0 EHADRM CC[C@H](NC(=O)c1cccc(Cl)c1[O-])c1ccc(OC)c(OC)c1 ZINC000804322866 1132749004 /nfs/dbraw/zinc/74/90/04/1132749004.db2.gz ANUQBOIZOMGYBA-AWEZNQCLSA-N -1 0 349.814 3.944 20 0 EHADRM O=c1cc(CNc2cc(C(F)(F)F)c3c(n2)CCCCC3)o[n-]1 ZINC001169484344 1132765408 /nfs/dbraw/zinc/76/54/08/1132765408.db2.gz NYPMCMVEOPWXNL-UHFFFAOYSA-N -1 0 327.306 3.675 20 0 EHADRM O=C([O-])c1cncc(Nc2ccc3c(cnn3[C@@H]3CCCCO3)c2)c1 ZINC001175841790 1132772996 /nfs/dbraw/zinc/77/29/96/1132772996.db2.gz XDUJHTVCOWAGNS-KRWDZBQOSA-N -1 0 338.367 3.572 20 0 EHADRM O=C([O-])c1cncc(Nc2ccc(Cl)cc2Br)c1 ZINC001175842619 1132773620 /nfs/dbraw/zinc/77/36/20/1132773620.db2.gz ARHHXSIAGYKYMM-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM O=C([O-])c1cncc(Nc2cccc3ncc(Br)cc32)c1 ZINC001175844109 1132774308 /nfs/dbraw/zinc/77/43/08/1132774308.db2.gz ZWCFGPQYAFNLGI-UHFFFAOYSA-N -1 0 344.168 3.834 20 0 EHADRM CCOC(=O)/C=C/c1ccc(Cl)cc1Nc1cncc(C(=O)[O-])c1 ZINC001175846777 1132774729 /nfs/dbraw/zinc/77/47/29/1132774729.db2.gz QVJSZNSJKMHNOE-GQCTYLIASA-N -1 0 346.770 3.753 20 0 EHADRM CC[C@H](C(=O)[N-]OCC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000766765197 1132807371 /nfs/dbraw/zinc/80/73/71/1132807371.db2.gz LRDLUIXMMBHBOK-JTQLQIEISA-N -1 0 329.240 3.809 20 0 EHADRM Cc1ccc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])c(F)c1F ZINC001176094335 1132833374 /nfs/dbraw/zinc/83/33/74/1132833374.db2.gz NUUUHELCPARUKH-UHFFFAOYSA-N -1 0 333.743 3.917 20 0 EHADRM COc1cccc2[nH]c(Nc3c(C)cc(C)cc3S(=O)(=O)[O-])cc21 ZINC001176063260 1132838664 /nfs/dbraw/zinc/83/86/64/1132838664.db2.gz FGJLELOKXKFCDL-UHFFFAOYSA-N -1 0 346.408 3.784 20 0 EHADRM Nc1cn(-c2csc(C(=O)[O-])c2)c2ccc(Br)cc12 ZINC001176435205 1132928376 /nfs/dbraw/zinc/92/83/76/1132928376.db2.gz ADFFVPZBSUAROX-UHFFFAOYSA-N -1 0 337.198 3.735 20 0 EHADRM O=C([O-])c1cc(Nc2ccccc2I)cs1 ZINC001176436165 1132928742 /nfs/dbraw/zinc/92/87/42/1132928742.db2.gz IWWMIHQBHMXPRJ-UHFFFAOYSA-N -1 0 345.161 3.795 20 0 EHADRM COc1ccccc1Cn1nc(C)cc1Nc1csc(C(=O)[O-])c1 ZINC001176437511 1132928881 /nfs/dbraw/zinc/92/88/81/1132928881.db2.gz XBVXHMPHQWTSKB-UHFFFAOYSA-N -1 0 343.408 3.752 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)C/C=C\c2ccc(F)cc2)cc1 ZINC000767089626 1132948040 /nfs/dbraw/zinc/94/80/40/1132948040.db2.gz AODXYVCFFSGUBL-ROMKBMAVSA-N -1 0 325.339 3.966 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3cccc(Br)n3)cc2)CC1 ZINC001176581242 1132959750 /nfs/dbraw/zinc/95/97/50/1132959750.db2.gz CQUQRUHWSIQYHE-UHFFFAOYSA-N -1 0 333.185 3.704 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3cc(OC(F)(F)F)ccn3)cc2)CC1 ZINC001176587068 1132960609 /nfs/dbraw/zinc/96/06/09/1132960609.db2.gz SVXSNYNJIONZLC-UHFFFAOYSA-N -1 0 338.285 3.840 20 0 EHADRM C[C@@H](NC(=O)c1cc2ccccc2cc1O)[C@@H](O)c1ccc(F)cc1 ZINC000767157587 1132960935 /nfs/dbraw/zinc/96/09/35/1132960935.db2.gz NLCXXRCGAPFOQJ-CWTRNNRKSA-N -1 0 339.366 3.536 20 0 EHADRM COc1cc(OC)c(F)c(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1F ZINC001176586400 1132961172 /nfs/dbraw/zinc/96/11/72/1132961172.db2.gz FNNZSZXEWHNFEZ-UHFFFAOYSA-N -1 0 349.333 3.842 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3ccc4[nH]c(=O)sc4c3)cc2)CC1 ZINC001176590741 1132962246 /nfs/dbraw/zinc/96/22/46/1132962246.db2.gz VOAYCODYWRIINJ-UHFFFAOYSA-N -1 0 326.377 3.862 20 0 EHADRM COc1cc(OC)c(OC)cc1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176589724 1132962395 /nfs/dbraw/zinc/96/23/95/1132962395.db2.gz XVJNXPZCJFNRCM-UHFFFAOYSA-N -1 0 343.379 3.572 20 0 EHADRM Cc1cc(/C=C\C(=O)NCC(C)(C)C(=O)[O-])c(C)n1C1CCCCC1 ZINC000767187465 1132963746 /nfs/dbraw/zinc/96/37/46/1132963746.db2.gz AMTMIYAVYCPBNO-KHPPLWFESA-N -1 0 346.471 3.850 20 0 EHADRM CC(C)S(=O)(=O)c1ccccc1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176592723 1132963805 /nfs/dbraw/zinc/96/38/05/1132963805.db2.gz MXUBPZOSIRJEFE-FMIVXFBMSA-N -1 0 345.420 3.710 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)C[C@H]1CCCC[C@H]1C ZINC000767572586 1133021865 /nfs/dbraw/zinc/02/18/65/1133021865.db2.gz XOCLWTOFXJATSZ-DGCLKSJQSA-N -1 0 343.876 3.670 20 0 EHADRM O=C(OCc1ccn(-c2ccc(Cl)cc2)n1)c1ccc(O)cc1F ZINC000767590099 1133022267 /nfs/dbraw/zinc/02/22/67/1133022267.db2.gz YINPUHIXZUDIOQ-UHFFFAOYSA-N -1 0 346.745 3.727 20 0 EHADRM O=C(N[C@@H]1CCCc2sccc21)c1ccc2[n-]c(=S)oc2c1 ZINC000768590118 1133160905 /nfs/dbraw/zinc/16/09/05/1133160905.db2.gz HDHJOVPYZWOPPD-LLVKDONJSA-N -1 0 330.434 3.985 20 0 EHADRM CC(=O)c1cc(F)c([O-])c(NC(=O)Cn2c(C)cc3ccccc32)c1 ZINC001178428933 1133168678 /nfs/dbraw/zinc/16/86/78/1133168678.db2.gz XHAFSASCBAYMHN-UHFFFAOYSA-N -1 0 340.354 3.636 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)sc2c1)C1Cc2ccccc2C1 ZINC001178545397 1133178141 /nfs/dbraw/zinc/17/81/41/1133178141.db2.gz RRXLKFCOKOBQMJ-UHFFFAOYSA-N -1 0 326.446 3.939 20 0 EHADRM COc1ccc(C=CC(=O)Nc2ccc3[n-]c(=S)oc3c2)cc1 ZINC000769300201 1133257186 /nfs/dbraw/zinc/25/71/86/1133257186.db2.gz JSACITAJBWQCQT-RUDMXATFSA-N -1 0 326.377 3.777 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1ccnc(Oc2ccccc2)c1 ZINC000769487222 1133290436 /nfs/dbraw/zinc/29/04/36/1133290436.db2.gz UPZBNZCAPGQOJD-UHFFFAOYSA-N -1 0 342.395 3.639 20 0 EHADRM COc1ccc(C(=O)CCC(=O)Nc2ccccc2[S-])cc1F ZINC001179825734 1133291873 /nfs/dbraw/zinc/29/18/73/1133291873.db2.gz WNUWJSIEOMITSR-UHFFFAOYSA-N -1 0 333.384 3.725 20 0 EHADRM O=C([O-])C1(C(=O)N2CCC3(C=Cc4ccccc43)CC2)CCCCC1 ZINC001180435281 1133369813 /nfs/dbraw/zinc/36/98/13/1133369813.db2.gz UPWLJYWBGSIRRB-UHFFFAOYSA-N -1 0 339.435 3.609 20 0 EHADRM CN(C)c1nc2cc(NC(=O)c3c([O-])cccc3Cl)ccc2o1 ZINC000770015904 1133378401 /nfs/dbraw/zinc/37/84/01/1133378401.db2.gz IQFSTARJGPYJQG-UHFFFAOYSA-N -1 0 331.759 3.505 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@@H](C)[C@H](O)c2ccc(F)cc2)c(O)c1 ZINC000770039200 1133380957 /nfs/dbraw/zinc/38/09/57/1133380957.db2.gz PEIXDFWVPXIHLM-SGTLLEGYSA-N -1 0 331.387 3.507 20 0 EHADRM COc1cc(Cl)ccc1NC(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000773899548 1133448630 /nfs/dbraw/zinc/44/86/30/1133448630.db2.gz PHEKDFNAFWBFCI-CYBMUJFWSA-N -1 0 333.771 3.546 20 0 EHADRM [O-]c1ccc(-c2nc(Cc3ccc4c[nH]nc4c3)no2)cc1Cl ZINC000771477544 1133560418 /nfs/dbraw/zinc/56/04/18/1133560418.db2.gz DLFLCTZHVLPQCN-UHFFFAOYSA-N -1 0 326.743 3.563 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1csc(-c2ccccn2)n1 ZINC000771502646 1133566260 /nfs/dbraw/zinc/56/62/60/1133566260.db2.gz CDFUDOKTPGTJGU-UHFFFAOYSA-N -1 0 349.774 3.956 20 0 EHADRM Cn1cc(/C=C/c2ncc(/C=C\C(=O)[O-])s2)c(-c2ccccc2)n1 ZINC000771523695 1133570001 /nfs/dbraw/zinc/57/00/01/1133570001.db2.gz DXPLQYJLBCMWQY-ZWOQCJTASA-N -1 0 337.404 3.812 20 0 EHADRM O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)c1c([O-])cccc1F ZINC000771940773 1133618590 /nfs/dbraw/zinc/61/85/90/1133618590.db2.gz QENKGYPIXVKEST-UHFFFAOYSA-N -1 0 336.313 3.662 20 0 EHADRM C/C(=C/C(C)(C)C)C(=O)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000774190245 1133630231 /nfs/dbraw/zinc/63/02/31/1133630231.db2.gz KVSFGZOJHWVMJN-NTMALXAHSA-N -1 0 347.839 3.585 20 0 EHADRM C/C(=C/C(C)(C)C)C(=O)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000774233899 1133637949 /nfs/dbraw/zinc/63/79/49/1133637949.db2.gz FDNVDSGAQLMNID-KHPPLWFESA-N -1 0 343.514 3.843 20 0 EHADRM C[C@H](CC(C)(C)C)C(=O)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000774237224 1133639571 /nfs/dbraw/zinc/63/95/71/1133639571.db2.gz UOJHIQQNPUZZGP-LLVKDONJSA-N -1 0 345.530 3.923 20 0 EHADRM CCC[C@@H](NC(=O)N[C@](C)(CCC)C(=O)[O-])c1ccc(F)cc1F ZINC000780660530 1133641667 /nfs/dbraw/zinc/64/16/67/1133641667.db2.gz TUJQAWFYTLHARH-RHSMWYFYSA-N -1 0 342.386 3.749 20 0 EHADRM CO[C@@H]1Cc2ccc(NC(=O)c3cc(F)c([O-])c(Cl)c3)cc2C1 ZINC000772544295 1133695902 /nfs/dbraw/zinc/69/59/02/1133695902.db2.gz OOAWVDFCBCULFZ-CYBMUJFWSA-N -1 0 335.762 3.551 20 0 EHADRM CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1c([O-])cc(Cl)cc1Cl ZINC001182851797 1133742360 /nfs/dbraw/zinc/74/23/60/1133742360.db2.gz CSQDMYJMHIJNNZ-BMIGLBTASA-N -1 0 346.254 3.880 20 0 EHADRM C[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)C1CCCCCC1 ZINC001183153703 1133772511 /nfs/dbraw/zinc/77/25/11/1133772511.db2.gz BJVXAWHQEFMZBS-LLVKDONJSA-N -1 0 345.468 3.713 20 0 EHADRM O=C(Cc1ccc([S-])cc1)N1CCn2cccc2[C@H]1c1ccccc1 ZINC001183184100 1133776436 /nfs/dbraw/zinc/77/64/36/1133776436.db2.gz GVZUILHBXQNHTL-OAQYLSRUSA-N -1 0 348.471 3.951 20 0 EHADRM Cc1c(Cl)cc(NC(=O)Cc2ccc(CO)cc2)c([O-])c1Cl ZINC001183691785 1133842197 /nfs/dbraw/zinc/84/21/97/1133842197.db2.gz WUIPMNRWMFGFIQ-UHFFFAOYSA-N -1 0 340.206 3.681 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]C(=O)c1sccc1C(C)C ZINC000786661165 1133883068 /nfs/dbraw/zinc/88/30/68/1133883068.db2.gz DWTHUDKIPQMXGA-UHFFFAOYSA-N -1 0 337.466 3.553 20 0 EHADRM O=S(=O)(Cc1cc(F)cc(F)c1)[N-]c1cc(C2CCCC2)no1 ZINC001185086327 1134026273 /nfs/dbraw/zinc/02/62/73/1134026273.db2.gz YWFJIPKKKBSNRE-UHFFFAOYSA-N -1 0 342.367 3.552 20 0 EHADRM Cc1ccc([C@H]([N-]S(=O)(=O)c2ccsc2)C(F)(F)F)cc1 ZINC001185400037 1134079468 /nfs/dbraw/zinc/07/94/68/1134079468.db2.gz UXCSWPFTONBMIX-LBPRGKRZSA-N -1 0 335.372 3.638 20 0 EHADRM O=C(C=C([O-])c1ccccc1Cl)N1CCO[C@H](c2ccccc2)C1 ZINC001185428845 1134084236 /nfs/dbraw/zinc/08/42/36/1134084236.db2.gz NYEOTBAPWQJLNC-SFHVURJKSA-N -1 0 343.810 3.513 20 0 EHADRM O=S(=O)([N-]c1cnccc1C1CC1)c1cc2ccccc2s1 ZINC001185429485 1134084526 /nfs/dbraw/zinc/08/45/26/1134084526.db2.gz OACYQAYBRFVKNJ-UHFFFAOYSA-N -1 0 330.434 3.975 20 0 EHADRM CC(C)Cn1cnc([N-]S(=O)(=O)c2cc3ccccc3s2)c1 ZINC001185433864 1134085223 /nfs/dbraw/zinc/08/52/23/1134085223.db2.gz QWWBAHQEMAGXSG-UHFFFAOYSA-N -1 0 335.454 3.555 20 0 EHADRM O=C(C=C([O-])c1ccccc1Cl)N1CCc2cc(F)c(F)cc2C1 ZINC001185436436 1134085981 /nfs/dbraw/zinc/08/59/81/1134085981.db2.gz UKWDULKECDVUKB-UHFFFAOYSA-N -1 0 349.764 3.776 20 0 EHADRM O=C(C=C([O-])c1ccccc1Cl)N[C@H]1CCc2c1c(F)ccc2F ZINC001185444154 1134087244 /nfs/dbraw/zinc/08/72/44/1134087244.db2.gz PPMDTICIGBLWEC-HNNXBMFYSA-N -1 0 349.764 3.995 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cc3ccccc3s2)ccc1CO ZINC001185464230 1134093250 /nfs/dbraw/zinc/09/32/50/1134093250.db2.gz PEOCQCAWZAHCCE-UHFFFAOYSA-N -1 0 333.434 3.503 20 0 EHADRM COc1ccc(CNC(=O)Nc2ccc3[n-]c(=S)sc3c2)cc1 ZINC001185545870 1134110552 /nfs/dbraw/zinc/11/05/52/1134110552.db2.gz ADERMZCIWMOSSA-UHFFFAOYSA-N -1 0 345.449 3.915 20 0 EHADRM Cc1ccc(NC(=O)N(CC(=O)[O-])[C@H](C)c2ccccc2)c(C)c1 ZINC000788322353 1134113438 /nfs/dbraw/zinc/11/34/38/1134113438.db2.gz OAYBMIKVPNAQKV-OAHLLOKOSA-N -1 0 326.396 3.983 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1cnc2cc(F)ccc2c1 ZINC001185801347 1134135448 /nfs/dbraw/zinc/13/54/48/1134135448.db2.gz HWMIKOOBKICNMY-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM CC(=O)c1cccc(O)c1NC(=O)C1(c2ccc3ncccc3c2)CC1 ZINC001186090835 1134168889 /nfs/dbraw/zinc/16/88/89/1134168889.db2.gz AMQHYVIRELGNHW-UHFFFAOYSA-N -1 0 346.386 3.813 20 0 EHADRM O=C(Nc1c[nH]c2nccc(Br)c12)c1cccc([S-])c1 ZINC001186130489 1134173080 /nfs/dbraw/zinc/17/30/80/1134173080.db2.gz VARPIQZYFACXQZ-UHFFFAOYSA-N -1 0 348.225 3.866 20 0 EHADRM CSc1cc(C)nc(SC)c1[N-]C(=O)c1ccc(O)c(F)c1 ZINC001186202194 1134180501 /nfs/dbraw/zinc/18/05/01/1134180501.db2.gz LHKVGJJLBFZKRK-UHFFFAOYSA-N -1 0 338.429 3.931 20 0 EHADRM O=S(=O)([N-]c1cnc(Cl)c(F)c1)c1csc2ccccc21 ZINC001186454097 1134215275 /nfs/dbraw/zinc/21/52/75/1134215275.db2.gz BYFKKPKGOAYIIE-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM C[C@@H](O)c1ccccc1[N-]S(=O)(=O)c1csc2ccccc21 ZINC001186499305 1134223288 /nfs/dbraw/zinc/22/32/88/1134223288.db2.gz VYGKPJWRFGVHDF-LLVKDONJSA-N -1 0 333.434 3.755 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)[C@H](O)CC2)c1csc2ccccc21 ZINC001186508538 1134226707 /nfs/dbraw/zinc/22/67/07/1134226707.db2.gz HRAMKLKGBQKEDW-OAHLLOKOSA-N -1 0 345.445 3.682 20 0 EHADRM CCN(Cc1cccc(F)c1F)C(=O)c1cc(F)c(F)c([O-])c1F ZINC001186779472 1134256919 /nfs/dbraw/zinc/25/69/19/1134256919.db2.gz OREIGFWXLVPAHO-UHFFFAOYSA-N -1 0 345.267 3.750 20 0 EHADRM O=S(=O)([N-]c1cc(OC(F)(F)F)ccc1Cl)c1ccco1 ZINC001186856670 1134269668 /nfs/dbraw/zinc/26/96/68/1134269668.db2.gz SLYHZDONNXASER-UHFFFAOYSA-N -1 0 341.694 3.632 20 0 EHADRM C[C@@H]1CC(C)(C)c2cccc(NC(=O)c3ccccc3-c3nn[nH]n3)c21 ZINC001187009656 1134281438 /nfs/dbraw/zinc/28/14/38/1134281438.db2.gz RURWQYDYNRSQKA-GFCCVEGCSA-N -1 0 347.422 3.904 20 0 EHADRM O=C(NCC(F)(F)F)Nc1c(O)cc(C(F)(F)F)cc1Cl ZINC001187090454 1134297712 /nfs/dbraw/zinc/29/77/12/1134297712.db2.gz FHNXATJQNAMCFX-UHFFFAOYSA-N -1 0 336.619 3.748 20 0 EHADRM COc1c(F)cccc1[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187174132 1134311583 /nfs/dbraw/zinc/31/15/83/1134311583.db2.gz RZQVXSYSZXGSSH-UHFFFAOYSA-N -1 0 341.429 3.575 20 0 EHADRM Cc1nc2c(cccc2[N-]S(=O)(=O)c2cc3c(s2)CCCC3)o1 ZINC001187206775 1134314048 /nfs/dbraw/zinc/31/40/48/1134314048.db2.gz JRIHASIIDYXGGQ-UHFFFAOYSA-N -1 0 348.449 3.877 20 0 EHADRM Cc1c(S(=O)(=O)[N-]c2ccc(Cl)nc2C)c2ccccc2n1C ZINC000789737841 1134330021 /nfs/dbraw/zinc/33/00/21/1134330021.db2.gz AQHCYGUJPKDKBU-UHFFFAOYSA-N -1 0 349.843 3.644 20 0 EHADRM CC(C)Oc1ccc(CNc2cc3c(c(C(=O)[O-])c2)OCCO3)cc1 ZINC000789903803 1134347614 /nfs/dbraw/zinc/34/76/14/1134347614.db2.gz MVQXQHDRHPMSSB-UHFFFAOYSA-N -1 0 343.379 3.555 20 0 EHADRM O=C([O-])c1cc(NCc2cc3cc(F)ccc3o2)cc2c1OCCO2 ZINC000789902868 1134347785 /nfs/dbraw/zinc/34/77/85/1134347785.db2.gz RKWFXTALAIMSMU-UHFFFAOYSA-N -1 0 343.310 3.653 20 0 EHADRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2cnn(C(F)F)c2)c1 ZINC000790068632 1134362912 /nfs/dbraw/zinc/36/29/12/1134362912.db2.gz PVJVYFUAEVSQAB-UHFFFAOYSA-N -1 0 349.790 3.685 20 0 EHADRM O=C(Nc1c(Cl)ccc([O-])c1Cl)c1nnsc1C1CC1 ZINC001188093434 1134427291 /nfs/dbraw/zinc/42/72/91/1134427291.db2.gz ZGTVOVMIVLGILZ-UHFFFAOYSA-N -1 0 330.196 3.680 20 0 EHADRM CSc1cc(C)nc(SC)c1[N-]C(=O)c1cc(C2CC2)[nH]n1 ZINC001188385403 1134457016 /nfs/dbraw/zinc/45/70/16/1134457016.db2.gz VIVGUFCNSUNTHD-UHFFFAOYSA-N -1 0 334.470 3.687 20 0 EHADRM Cc1ccsc1-c1nsc([N-]C(=O)c2nc(Cl)cs2)n1 ZINC000790938174 1134478165 /nfs/dbraw/zinc/47/81/65/1134478165.db2.gz PYSSMKDPPHMXHB-UHFFFAOYSA-N -1 0 342.858 3.937 20 0 EHADRM COc1ccccc1Oc1ccc(NC(=O)c2ccncc2[O-])cc1 ZINC001188636727 1134492566 /nfs/dbraw/zinc/49/25/66/1134492566.db2.gz KJTPFRSNSIJVCE-UHFFFAOYSA-N -1 0 336.347 3.840 20 0 EHADRM O=S(=O)(Cc1cccc(F)c1F)Nc1ccc(Cl)cc1[S-] ZINC001189453443 1134589332 /nfs/dbraw/zinc/58/93/32/1134589332.db2.gz MEUTZGMMFWUDLK-UHFFFAOYSA-N -1 0 349.811 3.849 20 0 EHADRM CC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cc(C(C)(C)C)ccc1C ZINC000791759012 1134603004 /nfs/dbraw/zinc/60/30/04/1134603004.db2.gz PMUHROAFVWKESJ-GFCCVEGCSA-N -1 0 325.474 3.534 20 0 EHADRM CCOC(=O)CCCCCNC(=O)Nc1cc(Cl)ccc1[S-] ZINC001189655703 1134612215 /nfs/dbraw/zinc/61/22/15/1134612215.db2.gz LWWVIKBYKFSGGH-UHFFFAOYSA-N -1 0 344.864 3.874 20 0 EHADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC001189773464 1134625347 /nfs/dbraw/zinc/62/53/47/1134625347.db2.gz KLPFKHZSZPFZJF-UHFFFAOYSA-N -1 0 347.770 3.569 20 0 EHADRM O=C(c1cc(Br)ccc1[S-])N1CC2(C1)CC(F)(F)C2 ZINC001189952202 1134641887 /nfs/dbraw/zinc/64/18/87/1134641887.db2.gz VEFOAPHIRGROMC-UHFFFAOYSA-N -1 0 348.212 3.609 20 0 EHADRM O=C(NC1(CC2CC2)CC1)c1cc(Br)ccc1[S-] ZINC001189979658 1134645601 /nfs/dbraw/zinc/64/56/01/1134645601.db2.gz XPAAEQMVWOJILN-UHFFFAOYSA-N -1 0 326.259 3.800 20 0 EHADRM CC(C)Sc1ccccc1[N-]S(=O)(=O)c1ncc(F)cc1F ZINC001190182609 1134668869 /nfs/dbraw/zinc/66/88/69/1134668869.db2.gz DOKSIUMFFFYEIG-UHFFFAOYSA-N -1 0 344.408 3.661 20 0 EHADRM CC(C)CC(=O)[N-]S(=O)(=O)[C@H](C)c1ccc(Cl)cc1Cl ZINC000772794160 1134682581 /nfs/dbraw/zinc/68/25/81/1134682581.db2.gz USAMFMKWBUCXEB-SECBINFHSA-N -1 0 338.256 3.547 20 0 EHADRM O=S(=O)(NCC1CCCCCC1)c1cc2cc(F)ccc2o1 ZINC001190346079 1134686100 /nfs/dbraw/zinc/68/61/00/1134686100.db2.gz CIJOPAIHHLRTIJ-UHFFFAOYSA-N -1 0 325.405 3.821 20 0 EHADRM Cc1cc(C)c([N-]S(=O)(=O)c2cc(F)cc(F)c2F)c(C)c1 ZINC001190390375 1134689228 /nfs/dbraw/zinc/68/92/28/1134689228.db2.gz MCLXAMXMUIQJQA-UHFFFAOYSA-N -1 0 329.343 3.830 20 0 EHADRM CC[C@@H](NS(=O)(=O)c1cc(F)cc(F)c1F)c1ccc(C)cc1 ZINC001190401556 1134691484 /nfs/dbraw/zinc/69/14/84/1134691484.db2.gz KDEAZJUFZAXPAG-CQSZACIVSA-N -1 0 343.370 3.842 20 0 EHADRM CCc1nccnc1[N-]S(=O)(=O)c1ccc(C(C)(C)CC)cc1 ZINC001190432196 1134698955 /nfs/dbraw/zinc/69/89/55/1134698955.db2.gz RJHBKSMLESBKQG-UHFFFAOYSA-N -1 0 333.457 3.527 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2c(O)cccc2OC)cc1 ZINC001190447970 1134702758 /nfs/dbraw/zinc/70/27/58/1134702758.db2.gz QXVRBVFHBCYLHU-UHFFFAOYSA-N -1 0 349.452 3.889 20 0 EHADRM CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190507359 1134709209 /nfs/dbraw/zinc/70/92/09/1134709209.db2.gz SZGSNZDXUUMGOG-UHFFFAOYSA-N -1 0 333.384 3.707 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2c(O)cccc2C(C)=O)cc1 ZINC001191254540 1134824751 /nfs/dbraw/zinc/82/47/51/1134824751.db2.gz WRWXOIZLKIZRTB-UHFFFAOYSA-N -1 0 347.436 3.738 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cc(C)nn2CC2CC2)cc1 ZINC001191233626 1134832318 /nfs/dbraw/zinc/83/23/18/1134832318.db2.gz XRCZTVIVZGVVHP-UHFFFAOYSA-N -1 0 347.484 3.745 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cnn3cccc(F)c23)cc1 ZINC001191233285 1134832730 /nfs/dbraw/zinc/83/27/30/1134832730.db2.gz RHRUUIYUJJYGBD-UHFFFAOYSA-N -1 0 347.415 3.617 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2O)cc1 ZINC001191248826 1134836769 /nfs/dbraw/zinc/83/67/69/1134836769.db2.gz KNNWNTJHTPZKNI-UHFFFAOYSA-N -1 0 341.379 3.814 20 0 EHADRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1nc(C)c(C)s1 ZINC001191651502 1134899790 /nfs/dbraw/zinc/89/97/90/1134899790.db2.gz CPNZBQRYVBMETL-UHFFFAOYSA-N -1 0 340.470 3.693 20 0 EHADRM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2ccnc(F)c2)c1Cl ZINC001191728518 1134905980 /nfs/dbraw/zinc/90/59/80/1134905980.db2.gz IQCRJUPGKOYMIJ-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2cc(F)ccn2)c1Cl ZINC001191729415 1134906991 /nfs/dbraw/zinc/90/69/91/1134906991.db2.gz XEIQYGSBKWAQHP-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM Cc1cc(NC(=O)Nc2cccc(S(=O)(=O)[O-])c2)ccc1Cl ZINC001191768861 1134911662 /nfs/dbraw/zinc/91/16/62/1134911662.db2.gz OQOVWYLMPIBSLK-UHFFFAOYSA-N -1 0 340.788 3.539 20 0 EHADRM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2cn(C(C)C)cn2)c1Cl ZINC001191731553 1134914756 /nfs/dbraw/zinc/91/47/56/1134914756.db2.gz RUSQDJQLOOFLMJ-UHFFFAOYSA-N -1 0 348.255 3.880 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(Cl)c(F)c1 ZINC001191821928 1134929868 /nfs/dbraw/zinc/92/98/68/1134929868.db2.gz WSRRNEFICSCHPR-UHFFFAOYSA-N -1 0 343.807 3.987 20 0 EHADRM CCCOc1ccc([N-]S(=O)(=O)c2cc(C)ccc2OCC)cc1 ZINC001191821962 1134930910 /nfs/dbraw/zinc/93/09/10/1134930910.db2.gz XYESWXPTYYGDOQ-UHFFFAOYSA-N -1 0 349.452 3.983 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2onc(C)c2c1 ZINC001191829238 1134932177 /nfs/dbraw/zinc/93/21/77/1134932177.db2.gz YBILSRMNLCCMSU-UHFFFAOYSA-N -1 0 346.408 3.644 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cccc2ccoc21 ZINC001191830104 1134932619 /nfs/dbraw/zinc/93/26/19/1134932619.db2.gz XIGPXGWAMIDEQR-UHFFFAOYSA-N -1 0 331.393 3.941 20 0 EHADRM COc1ccc2cc(S(=O)(=O)[N-]c3cccc(C)c3O)ccc2c1 ZINC001191963903 1134951815 /nfs/dbraw/zinc/95/18/15/1134951815.db2.gz WRQXQCPVDHZHEO-UHFFFAOYSA-N -1 0 343.404 3.663 20 0 EHADRM Cc1nc2ccc(C(=O)Nc3ccc4[n-]c(=S)oc4c3)cc2n1C ZINC000793668151 1134979479 /nfs/dbraw/zinc/97/94/79/1134979479.db2.gz WFLOBTZOSDJUIQ-UHFFFAOYSA-N -1 0 338.392 3.564 20 0 EHADRM Cc1cc(NC(=O)Nc2ncc(O)cc2Br)ccc1F ZINC001192356519 1135004169 /nfs/dbraw/zinc/00/41/69/1135004169.db2.gz HMFWRVSUIVVZRR-UHFFFAOYSA-N -1 0 340.152 3.641 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2cnc(Cl)cc2C)cc1 ZINC001192350890 1135004210 /nfs/dbraw/zinc/00/42/10/1135004210.db2.gz GJBGEZCTZXMQMF-UHFFFAOYSA-N -1 0 328.846 3.566 20 0 EHADRM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1ccccc1-n1cccc1 ZINC001192357531 1135005290 /nfs/dbraw/zinc/00/52/90/1135005290.db2.gz AKOZQHWMOFCWGK-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM Cc1cc2cc([N-]S(=O)(=O)c3cnc(Cl)cc3C)ccc2o1 ZINC001192358091 1135005463 /nfs/dbraw/zinc/00/54/63/1135005463.db2.gz WABJSGVSWZTDCS-UHFFFAOYSA-N -1 0 336.800 3.899 20 0 EHADRM Cc1nc2c(cccc2NC(=O)c2nc(C(F)(F)F)cs2)o1 ZINC001192459176 1135023103 /nfs/dbraw/zinc/02/31/03/1135023103.db2.gz ZLDMBUFCWPLWNT-UHFFFAOYSA-N -1 0 327.287 3.864 20 0 EHADRM O=C(Nc1cc(-c2ccc(F)cc2)no1)c1c([O-])ccc(F)c1F ZINC001192729837 1135048192 /nfs/dbraw/zinc/04/81/92/1135048192.db2.gz LJYOSSGGZBZIGS-UHFFFAOYSA-N -1 0 334.253 3.717 20 0 EHADRM COc1cc(OC)c(NC(=O)c2c([O-])ccc(F)c2F)cc1Cl ZINC001192717710 1135050985 /nfs/dbraw/zinc/05/09/85/1135050985.db2.gz GGAGEAIBWNLKPX-UHFFFAOYSA-N -1 0 343.713 3.593 20 0 EHADRM O=C(NCc1nc(-c2ccccc2)cs1)c1c([O-])ccc(F)c1F ZINC001192787362 1135054203 /nfs/dbraw/zinc/05/42/03/1135054203.db2.gz ULVPTFOUBLKZNR-UHFFFAOYSA-N -1 0 346.358 3.724 20 0 EHADRM CCc1cc(Cl)ccc1[N-]S(=O)(=O)c1cnccc1Cl ZINC001192893848 1135069290 /nfs/dbraw/zinc/06/92/90/1135069290.db2.gz JQJZJIXPACYZCT-UHFFFAOYSA-N -1 0 331.224 3.752 20 0 EHADRM CC(=O)c1ccsc1NC(=O)c1cc(Cl)nc(Cl)c1[O-] ZINC001193082032 1135096547 /nfs/dbraw/zinc/09/65/47/1135096547.db2.gz FVQQPVLLPFKMLV-UHFFFAOYSA-N -1 0 331.180 3.610 20 0 EHADRM O=C(Nc1cccc2cc(S(=O)(=O)[O-])ccc21)OC1CCCC1 ZINC001193562456 1135152086 /nfs/dbraw/zinc/15/20/86/1135152086.db2.gz FCCQNTYOPPMXDI-UHFFFAOYSA-N -1 0 335.381 3.578 20 0 EHADRM COc1ccc(C2=CCN(C(=O)c3ccc(F)c([O-])c3F)CC2)cc1 ZINC001193785185 1135180449 /nfs/dbraw/zinc/18/04/49/1135180449.db2.gz XPCRLHYMJTZKAE-UHFFFAOYSA-N -1 0 345.345 3.609 20 0 EHADRM O=C(N[C@H](c1ccccc1)c1ccncc1)c1ccc(F)c([O-])c1F ZINC001193792551 1135181460 /nfs/dbraw/zinc/18/14/60/1135181460.db2.gz BIMRHZPEQLSAGU-QGZVFWFLSA-N -1 0 340.329 3.585 20 0 EHADRM O=C(N[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1)c1ccc(F)c([O-])c1F ZINC001193800709 1135186383 /nfs/dbraw/zinc/18/63/83/1135186383.db2.gz OMDPPAMEVAVWIB-URLYELCFSA-N -1 0 343.373 3.983 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)COC3)c2ccccc12 ZINC001193824627 1135189154 /nfs/dbraw/zinc/18/91/54/1135189154.db2.gz NABRUXZLNIENTQ-UHFFFAOYSA-N -1 0 339.416 3.979 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CCC3)c2ccccc12 ZINC001193833882 1135191065 /nfs/dbraw/zinc/19/10/65/1135191065.db2.gz QNNKJVBDQQYRQU-UHFFFAOYSA-N -1 0 344.461 3.894 20 0 EHADRM CCC[C@H](C)c1cc([N-]S(=O)(=O)Cc2noc3ccccc32)on1 ZINC001194050083 1135221404 /nfs/dbraw/zinc/22/14/04/1135221404.db2.gz RXUWWFCCYHBKRZ-NSHDSACASA-N -1 0 349.412 3.661 20 0 EHADRM Cc1ccc(O)c([N-]S(=O)(=O)c2ccc3c(Cl)cccc3c2)n1 ZINC001194216869 1135244976 /nfs/dbraw/zinc/24/49/76/1135244976.db2.gz JHDZXDFHPGJIQP-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM O=S(=O)([N-]c1cc(F)ccn1)c1ccc2c(Cl)cccc2c1 ZINC001194217302 1135246214 /nfs/dbraw/zinc/24/62/14/1135246214.db2.gz YZTXWYUDYFZTGT-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)N[C@H](C)c1cc(C)cc(C)c1 ZINC001194277211 1135248101 /nfs/dbraw/zinc/24/81/01/1135248101.db2.gz LHUINRRHIFOIFL-OAHLLOKOSA-N -1 0 349.434 3.994 20 0 EHADRM O=C(Nc1cc(Br)cc(F)c1[O-])Oc1ccccc1 ZINC001194254225 1135251507 /nfs/dbraw/zinc/25/15/07/1135251507.db2.gz MVQCZQGFJIMJBF-UHFFFAOYSA-N -1 0 326.121 3.905 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1ccc2c(c1)CCCC(=O)N2 ZINC000805257357 1135253560 /nfs/dbraw/zinc/25/35/60/1135253560.db2.gz ZDCSSHIWYUIENX-UHFFFAOYSA-N -1 0 348.761 3.712 20 0 EHADRM CC1(C)C(=O)Nc2ccc(C(=O)Nc3cc(Cl)c([O-])cc3F)cc21 ZINC000805256021 1135253696 /nfs/dbraw/zinc/25/36/96/1135253696.db2.gz IJHDAKKEOGXLJZ-UHFFFAOYSA-N -1 0 348.761 3.667 20 0 EHADRM Cc1ccc(O)c([N-]S(=O)(=O)c2cccc3c(Cl)cccc32)n1 ZINC001194411446 1135266719 /nfs/dbraw/zinc/26/67/19/1135266719.db2.gz PZVJPKPTOQAHSD-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM C[C@H]1CC/C(=C\C(=O)[N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)C1 ZINC000752608235 1135356618 /nfs/dbraw/zinc/35/66/18/1135356618.db2.gz AQNBFSDBRUSKOU-OCUQMRJBSA-N -1 0 341.498 3.597 20 0 EHADRM CC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2[O-])cc1Cl ZINC000775645778 1135389084 /nfs/dbraw/zinc/38/90/84/1135389084.db2.gz QMCGHEUSCRPCGS-UHFFFAOYSA-N -1 0 339.178 3.910 20 0 EHADRM CC(C)n1ncc2cc(NC(=O)c3cccc(Cl)c3[O-])cnc21 ZINC000775644624 1135394841 /nfs/dbraw/zinc/39/48/41/1135394841.db2.gz LIIXRHCDEMQGEH-UHFFFAOYSA-N -1 0 330.775 3.624 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cnc(Cl)cc1C ZINC001195276584 1135403735 /nfs/dbraw/zinc/40/37/35/1135403735.db2.gz OFFRCBONPQHECE-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cc2ccccc2n1C ZINC001195277453 1135404324 /nfs/dbraw/zinc/40/43/24/1135404324.db2.gz HYACBJHOKZSHAG-UHFFFAOYSA-N -1 0 334.828 3.941 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cccc2c(=O)[nH]ccc12 ZINC001195309590 1135411634 /nfs/dbraw/zinc/41/16/34/1135411634.db2.gz LQRVMBCSRXONMB-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM CN(Cc1n[n-]c(=O)o1)Cc1cccc(SCc2ccccc2)c1 ZINC001195385412 1135422764 /nfs/dbraw/zinc/42/27/64/1135422764.db2.gz QKFWVFKCCOCDKC-UHFFFAOYSA-N -1 0 341.436 3.700 20 0 EHADRM CN(C)S(=O)(=O)c1ccccc1Nc1c([S-])cccc1Cl ZINC001195732483 1135455960 /nfs/dbraw/zinc/45/59/60/1135455960.db2.gz YXLJOHHEFGDFLV-UHFFFAOYSA-N -1 0 342.873 3.623 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)cc1C ZINC000775679374 1135503394 /nfs/dbraw/zinc/50/33/94/1135503394.db2.gz YTKZIJSDOMKFRR-BZYZDCJZSA-N -1 0 337.420 3.714 20 0 EHADRM CCCCN(C(=O)CSc1n[n-]c(=S)s1)C1CCCCC1 ZINC000747370778 1135517414 /nfs/dbraw/zinc/51/74/14/1135517414.db2.gz JGXVHIGUAPGAAX-UHFFFAOYSA-N -1 0 345.559 3.880 20 0 EHADRM O=S(=O)([N-]c1cc(C2CCCCC2)no1)c1ccc(Cl)cn1 ZINC001196203201 1135530930 /nfs/dbraw/zinc/53/09/30/1135530930.db2.gz YPFHXWCYRXRDPS-UHFFFAOYSA-N -1 0 341.820 3.572 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cn2)c2ccccc12 ZINC001196245734 1135539652 /nfs/dbraw/zinc/53/96/52/1135539652.db2.gz RLGYPXJIKNGMCX-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)nc(Cl)c2)c(F)c1 ZINC001196347012 1135549510 /nfs/dbraw/zinc/54/95/10/1135549510.db2.gz KGLQZEWFIYOOLM-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM O=C(Nc1ccccc1-c1cc[nH]n1)c1cc(Cl)c(F)cc1[O-] ZINC001196466475 1135563800 /nfs/dbraw/zinc/56/38/00/1135563800.db2.gz HODCORAGANLPCT-UHFFFAOYSA-N -1 0 331.734 3.827 20 0 EHADRM O=C(c1cc(Cl)c(F)cc1[O-])N1CC[C@](CF)(C(F)(F)F)C1 ZINC001196458367 1135570045 /nfs/dbraw/zinc/57/00/45/1135570045.db2.gz IGXWKCSUZHFHKF-GFCCVEGCSA-N -1 0 343.679 3.549 20 0 EHADRM CC(C)c1ccc(-c2cc(C(=O)[N-]c3noc4nccnc34)no2)cc1 ZINC001196742681 1135606612 /nfs/dbraw/zinc/60/66/12/1135606612.db2.gz PCZFFHFNGRCNRB-UHFFFAOYSA-N -1 0 349.350 3.649 20 0 EHADRM Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(-c2ccc[nH]2)cc1 ZINC000808103306 1135617974 /nfs/dbraw/zinc/61/79/74/1135617974.db2.gz OAPVPYOELRSIHH-UHFFFAOYSA-N -1 0 347.827 3.839 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2cc(Cl)cc(Cl)n2)cc1 ZINC001197075205 1135647521 /nfs/dbraw/zinc/64/75/21/1135647521.db2.gz KZWKNFYMOROOIR-UHFFFAOYSA-N -1 0 342.207 3.896 20 0 EHADRM CCC[C@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)c1ccncc1 ZINC001197136471 1135648990 /nfs/dbraw/zinc/64/89/90/1135648990.db2.gz FIORQKJAOHTJHT-HNNXBMFYSA-N -1 0 329.425 3.608 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000775770811 1135684994 /nfs/dbraw/zinc/68/49/94/1135684994.db2.gz RVMYAIUJSOXOLC-UHFFFAOYSA-N -1 0 337.753 3.639 20 0 EHADRM O=C(Nc1c(Cl)ccc([O-])c1Cl)c1ccc(OC(F)F)cn1 ZINC001197927722 1135751297 /nfs/dbraw/zinc/75/12/97/1135751297.db2.gz GOSXVWUBFSVORT-UHFFFAOYSA-N -1 0 349.120 3.948 20 0 EHADRM CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(C)cc1 ZINC000809064009 1135770176 /nfs/dbraw/zinc/77/01/76/1135770176.db2.gz CGZVYBOYFYBQEM-OAHLLOKOSA-N -1 0 325.474 3.548 20 0 EHADRM O=S(=O)([N-]c1nccs1)c1ccccc1Oc1ccccc1 ZINC001198432980 1135814692 /nfs/dbraw/zinc/81/46/92/1135814692.db2.gz XMWJUCYAVNYFFV-UHFFFAOYSA-N -1 0 332.406 3.736 20 0 EHADRM O=S(=O)([N-]c1cccnc1C1CCC1)c1ccc2occc2c1 ZINC001198828978 1135857467 /nfs/dbraw/zinc/85/74/67/1135857467.db2.gz MKBSUZBFFUIGCD-UHFFFAOYSA-N -1 0 328.393 3.896 20 0 EHADRM O=C(Nc1cccc(C(F)(F)F)c1O)c1cc(OC(F)F)ccn1 ZINC001199312722 1135895461 /nfs/dbraw/zinc/89/54/61/1135895461.db2.gz HESQGQNPIDSYMT-UHFFFAOYSA-N -1 0 348.227 3.660 20 0 EHADRM Cc1nc(Cl)c(Nc2cc(F)c(C(=O)[O-])c(F)c2)c(Cl)n1 ZINC001203319945 1135895795 /nfs/dbraw/zinc/89/57/95/1135895795.db2.gz ZRXOBOJMOMZMMW-UHFFFAOYSA-N -1 0 334.109 3.812 20 0 EHADRM Cc1c(Cl)cc(NC(=O)c2nccn2CC2CC2)c([O-])c1Cl ZINC001199449742 1135904818 /nfs/dbraw/zinc/90/48/18/1135904818.db2.gz CUCKIYSTGOXZBF-UHFFFAOYSA-N -1 0 340.210 3.866 20 0 EHADRM CC(C)n1cc(C(=O)Nc2ccc3[n-]c(=S)sc3c2)ccc1=O ZINC001199512237 1135909815 /nfs/dbraw/zinc/90/98/15/1135909815.db2.gz FIEHTEYECFJATB-UHFFFAOYSA-N -1 0 345.449 3.580 20 0 EHADRM CSc1cc(C)nc(SC)c1[N-]C(=O)c1c(C)ccnc1F ZINC001199710549 1135921905 /nfs/dbraw/zinc/92/19/05/1135921905.db2.gz GDBRCEUTOADDFQ-UHFFFAOYSA-N -1 0 337.445 3.929 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2c(F)cccc2Br)cc1 ZINC001200887227 1135963774 /nfs/dbraw/zinc/96/37/74/1135963774.db2.gz UPAMJYFSPDDHQI-UHFFFAOYSA-N -1 0 344.205 3.697 20 0 EHADRM O=S(=O)([N-]C1CCC(F)CC1)c1cc(Cl)c(Cl)cc1F ZINC001201244176 1135998739 /nfs/dbraw/zinc/99/87/39/1135998739.db2.gz ILTGGTYTARXTSD-UHFFFAOYSA-N -1 0 344.210 3.692 20 0 EHADRM CCCCCCC(=O)[N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1 ZINC000810968446 1136029891 /nfs/dbraw/zinc/02/98/91/1136029891.db2.gz LYLHJOKNBOIAIY-UHFFFAOYSA-N -1 0 343.411 3.524 20 0 EHADRM O=C(Nc1ccccc1Br)Nc1ncc(Cl)cc1[O-] ZINC001201965778 1136079050 /nfs/dbraw/zinc/07/90/50/1136079050.db2.gz QCMVBMXIPGBMNK-UHFFFAOYSA-N -1 0 342.580 3.847 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N2CC[C@H](Cc3ccccc3)C2)c1 ZINC000811816204 1136144960 /nfs/dbraw/zinc/14/49/60/1136144960.db2.gz OSLITJMDYNYKMM-CQSZACIVSA-N -1 0 343.810 3.743 20 0 EHADRM COc1c(C)ccc(NC(=O)c2cc(C(=O)[O-])ccc2Cl)c1C ZINC000811820301 1136145454 /nfs/dbraw/zinc/14/54/54/1136145454.db2.gz VCOSPJNDSAKGOC-UHFFFAOYSA-N -1 0 333.771 3.916 20 0 EHADRM CN(CCCc1ccccc1)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811819927 1136145490 /nfs/dbraw/zinc/14/54/90/1136145490.db2.gz JWZOOPWLBSIHBQ-UHFFFAOYSA-N -1 0 331.799 3.743 20 0 EHADRM CC(C)(C)Cc1csc([N-]S(=O)(=O)c2cccnc2Cl)n1 ZINC000776308421 1136150925 /nfs/dbraw/zinc/15/09/25/1136150925.db2.gz MIGWVKDHKGILSH-UHFFFAOYSA-N -1 0 345.877 3.581 20 0 EHADRM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccnn1C(C)(C)C ZINC000776312037 1136151692 /nfs/dbraw/zinc/15/16/92/1136151692.db2.gz ZKPMSESOPOVHSI-UHFFFAOYSA-N -1 0 335.473 3.736 20 0 EHADRM CCCCOc1ccc(NC(=O)N[C@@](C)(CCC)C(=O)[O-])c(C)c1 ZINC000780458455 1136188735 /nfs/dbraw/zinc/18/87/35/1136188735.db2.gz HJRMBROQUCZQSA-SFHVURJKSA-N -1 0 336.432 3.939 20 0 EHADRM Cn1cc([N-]c2nn3cc(-c4ccccc4)nc3s2)c(C2CC2)n1 ZINC000812482980 1136215662 /nfs/dbraw/zinc/21/56/62/1136215662.db2.gz AIIRHZJLTHWGDZ-UHFFFAOYSA-N -1 0 336.424 3.812 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCn2c(cc3ccccc32)C1 ZINC000812759364 1136244827 /nfs/dbraw/zinc/24/48/27/1136244827.db2.gz XWWFTGQBAYZVEG-UHFFFAOYSA-N -1 0 349.415 3.727 20 0 EHADRM CON(Cc1ccc(Cl)cc1)C(=O)c1c([O-])cc(F)cc1F ZINC000812797245 1136252295 /nfs/dbraw/zinc/25/22/95/1136252295.db2.gz YEKYTGGQGKMHHX-UHFFFAOYSA-N -1 0 327.714 3.528 20 0 EHADRM CC(C)c1ccccc1C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1 ZINC000850851687 1136311814 /nfs/dbraw/zinc/31/18/14/1136311814.db2.gz JGFYXCRXFMQXCW-AWEZNQCLSA-N -1 0 331.437 3.631 20 0 EHADRM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc(Cl)nc1Cl ZINC000109687363 1136328724 /nfs/dbraw/zinc/32/87/24/1136328724.db2.gz RYRCMUSUGKXJMP-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM O=C([N-]S(=O)(=O)c1csc2ccccc21)[C@H]1CCCC2(CC2)C1 ZINC000851017680 1136328815 /nfs/dbraw/zinc/32/88/15/1136328815.db2.gz FIOFMXKULBYEKC-LBPRGKRZSA-N -1 0 349.477 3.677 20 0 EHADRM CC1=CC[C@](C)(C(=O)[N-]S(=O)(=O)[C@@H]2CCCc3ccccc32)CC1 ZINC000851060656 1136333598 /nfs/dbraw/zinc/33/35/98/1136333598.db2.gz SELVIIUPWLZVBG-MJGOQNOKSA-N -1 0 347.480 3.647 20 0 EHADRM C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)CSc1n[n-]c(=S)s1 ZINC000813783550 1136361879 /nfs/dbraw/zinc/36/18/79/1136361879.db2.gz CCRWMFVSHBARDQ-ZJUUUORDSA-N -1 0 345.559 3.592 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@H](C)CC(C)C ZINC000814016640 1136386572 /nfs/dbraw/zinc/38/65/72/1136386572.db2.gz OASSPHMKCOQVAR-ZBFHGGJFSA-N -1 0 325.474 3.656 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C(C)(C)c1ccccc1 ZINC000814016811 1136386608 /nfs/dbraw/zinc/38/66/08/1136386608.db2.gz PWNXOKOVOOXQNO-QGZVFWFLSA-N -1 0 345.464 3.562 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@@H](C)c1ccccc1 ZINC000814017581 1136386652 /nfs/dbraw/zinc/38/66/52/1136386652.db2.gz ZQWNERGKPVRZJZ-CRAIPNDOSA-N -1 0 345.464 3.778 20 0 EHADRM CCc1ccsc1C(=O)[N-]S(=O)(=O)[C@@H](CC)c1ccccc1 ZINC000814015089 1136386755 /nfs/dbraw/zinc/38/67/55/1136386755.db2.gz SJJZDWCULXEXAV-AWEZNQCLSA-N -1 0 337.466 3.521 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2ccc(/C=C\C(=O)[O-])o2)C1 ZINC000851594010 1136394869 /nfs/dbraw/zinc/39/48/69/1136394869.db2.gz FTSWCJJUXVZBLC-XIQZNWFMSA-N -1 0 339.391 3.704 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)C1CC2(CC2(F)F)C1 ZINC000851595800 1136395389 /nfs/dbraw/zinc/39/53/89/1136395389.db2.gz KTUPTTIJFDODDU-UHFFFAOYSA-N -1 0 331.318 3.912 20 0 EHADRM CC(C)c1ccccc1C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000851599194 1136395560 /nfs/dbraw/zinc/39/55/60/1136395560.db2.gz LTNJCVAPNGKQHT-HNNXBMFYSA-N -1 0 343.398 3.622 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N[C@H](c2ccccc2)C2CCC2)o1 ZINC000851602484 1136395688 /nfs/dbraw/zinc/39/56/88/1136395688.db2.gz VKTLRIGPHOVPAS-SIKDUDHDSA-N -1 0 325.364 3.649 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc3cc(Cl)ccc3s2)CC[C@H]1C(=O)[O-] ZINC000851604550 1136395765 /nfs/dbraw/zinc/39/57/65/1136395765.db2.gz ARYXWJMUUABCCP-BXKDBHETSA-N -1 0 337.828 3.738 20 0 EHADRM O=C([O-])C[C@@H](CNC(=O)c1sccc1-c1ccc(F)cc1)C1CC1 ZINC000851620907 1136396680 /nfs/dbraw/zinc/39/66/80/1136396680.db2.gz VTGPRGILNUGVBF-ZDUSSCGKSA-N -1 0 347.411 3.785 20 0 EHADRM O=S(=O)([N-]c1cccc(C(F)(F)F)n1)c1cccc(Cl)c1 ZINC000110121714 1136399361 /nfs/dbraw/zinc/39/93/61/1136399361.db2.gz BCXYUFOJCIGPDR-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM CCC[C@](C)(NC(=O)/C=C\c1ccc2cc(OC)ccc2c1)C(=O)[O-] ZINC000776611148 1136471054 /nfs/dbraw/zinc/47/10/54/1136471054.db2.gz QORDLLILFSOWJT-GFWYJJLOSA-N -1 0 341.407 3.621 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)/C=C(\C)c1ccccc1C(F)(F)F ZINC000776629035 1136491320 /nfs/dbraw/zinc/49/13/20/1136491320.db2.gz VFHNJEMNMXSKNM-PXUDHTSWSA-N -1 0 343.345 3.868 20 0 EHADRM COc1cccc(/C(C)=C\C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC000776632520 1136493025 /nfs/dbraw/zinc/49/30/25/1136493025.db2.gz WGFUTOYFZAWCAN-FENWIEIGSA-N -1 0 337.375 3.835 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000776631612 1136494310 /nfs/dbraw/zinc/49/43/10/1136494310.db2.gz NFQYMLHJHWZDOH-RAXLEYEMSA-N -1 0 339.391 3.709 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)/C=C/C1CCCCC1)c1ccc(F)cc1F ZINC000776658369 1136526962 /nfs/dbraw/zinc/52/69/62/1136526962.db2.gz SXXBEQAZDUMBMO-YXMGTMDOSA-N -1 0 337.366 3.733 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000776659551 1136529466 /nfs/dbraw/zinc/52/94/66/1136529466.db2.gz GAVXXSJFFXSWHN-XHBSWPGZSA-N -1 0 339.382 3.813 20 0 EHADRM C/C(=C/C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1F)c1ccccc1 ZINC000776659872 1136529569 /nfs/dbraw/zinc/52/95/69/1136529569.db2.gz SMLXEEKHIRPLHY-QJWNTBNXSA-N -1 0 345.345 3.700 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1F ZINC000776660769 1136530119 /nfs/dbraw/zinc/53/01/19/1136530119.db2.gz XHUZIQKHYJSZKP-AWEZNQCLSA-N -1 0 339.725 3.564 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CC(C)(C)C1CC1 ZINC000816106970 1136673841 /nfs/dbraw/zinc/67/38/41/1136673841.db2.gz ABIZTJBIPDPWPC-QGZVFWFLSA-N -1 0 337.485 3.656 20 0 EHADRM CN(C)c1ccc(C2(C(=O)Nc3cc(F)cc(Cl)c3[O-])CC2)cc1 ZINC000816151533 1136679153 /nfs/dbraw/zinc/67/91/53/1136679153.db2.gz DHGDWLVBNJCZMJ-UHFFFAOYSA-N -1 0 348.805 3.921 20 0 EHADRM O=C(c1cc(F)cc(F)c1[O-])N1CCC(Cc2ccccc2)CC1 ZINC001135573004 1136716276 /nfs/dbraw/zinc/71/62/76/1136716276.db2.gz TTZXXEVXKZHOPR-UHFFFAOYSA-N -1 0 331.362 3.765 20 0 EHADRM O=C([N-]Oc1ccccc1)C1(c2ccc(Br)cc2)CC1 ZINC000816684987 1136748299 /nfs/dbraw/zinc/74/82/99/1136748299.db2.gz YWCVLGFOXXDORT-UHFFFAOYSA-N -1 0 332.197 3.591 20 0 EHADRM C[C@@H](NC(=O)c1cccc(Cl)c1[O-])[C@@H]1OCCc2sccc21 ZINC000817051747 1136772592 /nfs/dbraw/zinc/77/25/92/1136772592.db2.gz PNUBTADWDIXNPP-PSLIRLAXSA-N -1 0 337.828 3.539 20 0 EHADRM c1cn(Cc2ccccn2)nc1[N-]c1nc(C2CCCC2)ns1 ZINC000817117891 1136780525 /nfs/dbraw/zinc/78/05/25/1136780525.db2.gz NQPVGTUXXCCICR-UHFFFAOYSA-N -1 0 326.429 3.579 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)C(=O)[N-]OCc2ccc(F)cc2)c1 ZINC000857484330 1136876312 /nfs/dbraw/zinc/87/63/12/1136876312.db2.gz BPIOLPPIAKMZDQ-AWEZNQCLSA-N -1 0 331.387 3.964 20 0 EHADRM CC[C@@H](C(=O)[N-]O[C@H]1CCCCO1)c1ccc(Br)cc1 ZINC000858986002 1136999365 /nfs/dbraw/zinc/99/93/65/1136999365.db2.gz BEAYCCVTWXGYJQ-KGLIPLIRSA-N -1 0 342.233 3.517 20 0 EHADRM C[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1csc2ccccc21 ZINC000821053672 1137015855 /nfs/dbraw/zinc/01/58/55/1137015855.db2.gz FKQAPKCEZJTZKN-NEPJUHHUSA-N -1 0 337.466 3.533 20 0 EHADRM COc1cccc([N-]S(=O)(=O)c2csnc2-c2ccccc2)c1 ZINC000821116391 1137017454 /nfs/dbraw/zinc/01/74/54/1137017454.db2.gz MTGJYHDYELJYKU-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM O=S(=O)([N-]c1cccc(F)c1)c1csnc1-c1ccccc1 ZINC000821116661 1137017503 /nfs/dbraw/zinc/01/75/03/1137017503.db2.gz TUCVEERNANEJHQ-UHFFFAOYSA-N -1 0 334.397 3.750 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2csnc2-c2ccccc2)c(O)c1 ZINC000821127779 1137017805 /nfs/dbraw/zinc/01/78/05/1137017805.db2.gz MNRXHKZZQRNUKK-UHFFFAOYSA-N -1 0 346.433 3.625 20 0 EHADRM Cc1c(F)cc(C(=O)[O-])cc1Nc1cc(N)ccc1Br ZINC001159926274 1137032947 /nfs/dbraw/zinc/03/29/47/1137032947.db2.gz KTEKSZIGRVFWGV-UHFFFAOYSA-N -1 0 339.164 3.921 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)CSc1ccc2c(c1)CCC2 ZINC000013433152 1137082186 /nfs/dbraw/zinc/08/21/86/1137082186.db2.gz PZIKEPPUXRLUDF-UHFFFAOYSA-N -1 0 341.432 3.913 20 0 EHADRM CC(C)(C(=O)[N-]OCc1ccccc1OC(F)F)c1ccccc1 ZINC000117868712 1137085398 /nfs/dbraw/zinc/08/53/98/1137085398.db2.gz QHJVCXZCCREYAN-UHFFFAOYSA-N -1 0 335.350 3.814 20 0 EHADRM CCCCCCOc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC000823340751 1137095821 /nfs/dbraw/zinc/09/58/21/1137095821.db2.gz RQPBVMDNJKABNG-YJBOKZPZSA-N -1 0 347.455 3.829 20 0 EHADRM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CCC[C@H]1[C@H]1CCCOC1 ZINC000823417121 1137096833 /nfs/dbraw/zinc/09/68/33/1137096833.db2.gz HOLYUQCNOMOYND-HZMBPMFUSA-N -1 0 344.238 3.730 20 0 EHADRM C[C@]12CCCC[C@H]1CN2C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000825057216 1137163837 /nfs/dbraw/zinc/16/38/37/1137163837.db2.gz PSUZKRGVBWOZED-XOBRGWDASA-N -1 0 339.391 3.869 20 0 EHADRM CC[C@@](C)(NCc1cc(=O)oc2cc([O-])c(Cl)cc12)C(F)(F)F ZINC000794558939 1137201304 /nfs/dbraw/zinc/20/13/04/1137201304.db2.gz CUDXZFBTYYEIBE-CQSZACIVSA-N -1 0 349.736 3.973 20 0 EHADRM C[C@@H]1CN(c2ccc3ccc(Br)cc3n2)CC[C@@H]1C(=O)[O-] ZINC000863734814 1137201413 /nfs/dbraw/zinc/20/14/13/1137201413.db2.gz UQWLTSSVIXDEBD-MFKMUULPSA-N -1 0 349.228 3.544 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)c1oc2ccccc2c1CSC)C(=O)[O-] ZINC000844157945 1137202520 /nfs/dbraw/zinc/20/25/20/1137202520.db2.gz MAPXZTOGXRVAPD-FZMZJTMJSA-N -1 0 349.452 3.915 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000864099186 1137214761 /nfs/dbraw/zinc/21/47/61/1137214761.db2.gz CZCJSNFVJNEFIP-XLIONFOSSA-N -1 0 343.467 3.605 20 0 EHADRM CC[C@H](NC(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccccc1OC ZINC000864102900 1137215068 /nfs/dbraw/zinc/21/50/68/1137215068.db2.gz DJDZUKHGFIALKX-INIZCTEOSA-N -1 0 327.380 3.583 20 0 EHADRM CCN(C(=O)/C=C/c1cc(C(=O)[O-])co1)[C@@H](C)c1cccc(OC)c1 ZINC000864104264 1137215343 /nfs/dbraw/zinc/21/53/43/1137215343.db2.gz ASDGCFPDGQTXJD-XEHSLEBBSA-N -1 0 343.379 3.609 20 0 EHADRM C[C@@H]1CCN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)[C@H](c2ccco2)C1 ZINC000864113249 1137215722 /nfs/dbraw/zinc/21/57/22/1137215722.db2.gz NTQIKUPCNVZDJA-QZWGFMDZSA-N -1 0 329.352 3.584 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)c1cc2c(cccc2C2CC2)[nH]1 ZINC000864112901 1137215846 /nfs/dbraw/zinc/21/58/46/1137215846.db2.gz LYHLKLKSEIFAJC-UHFFFAOYSA-N -1 0 328.412 3.618 20 0 EHADRM O=C([O-])c1cc(NC(=O)C2([C@H]3CCCCO3)CCC2)ccc1Cl ZINC000864121664 1137216032 /nfs/dbraw/zinc/21/60/32/1137216032.db2.gz LJCRIKLIVODPBP-CQSZACIVSA-N -1 0 337.803 3.716 20 0 EHADRM C[C@@H](CCc1ccc(F)cc1)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000864119222 1137216078 /nfs/dbraw/zinc/21/60/78/1137216078.db2.gz YAENTUWQABVEAR-AWEZNQCLSA-N -1 0 335.419 3.688 20 0 EHADRM C[C@@H]1CCN(C(=O)/C=C\c2cc(C(=O)[O-])co2)[C@H]1c1cccc(F)c1 ZINC000864130337 1137216508 /nfs/dbraw/zinc/21/65/08/1137216508.db2.gz UTTNTUSAUFFYHU-NSHICSFLSA-N -1 0 343.354 3.740 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)C2CCc3ccccc3CC2)c1 ZINC000864136513 1137216869 /nfs/dbraw/zinc/21/68/69/1137216869.db2.gz ZZMDGGUPJYMAJC-UHFFFAOYSA-N -1 0 337.419 3.838 20 0 EHADRM C[C@H]1CN(C(=O)C2(c3ccccc3)CCCCCC2)CC[C@@H]1C(=O)[O-] ZINC000864140495 1137216889 /nfs/dbraw/zinc/21/68/89/1137216889.db2.gz BBLGCQOFDHUECJ-WMZOPIPTSA-N -1 0 343.467 3.848 20 0 EHADRM CCC(CC)(NC(=O)Cc1csc2sc(C)cc12)C(=O)[O-] ZINC000864139619 1137217005 /nfs/dbraw/zinc/21/70/05/1137217005.db2.gz MCWHHHSPNXBZAA-UHFFFAOYSA-N -1 0 325.455 3.573 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)CCc2cccc3ccccc32)C1 ZINC000864142963 1137217084 /nfs/dbraw/zinc/21/70/84/1137217084.db2.gz XLQHFXSGXCQIEC-OAQYLSRUSA-N -1 0 339.435 3.732 20 0 EHADRM CC[C@H](CCc1ccccc1)NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000864169521 1137217626 /nfs/dbraw/zinc/21/76/26/1137217626.db2.gz QYEVLVYQMVJVQB-BMOGTNHUSA-N -1 0 327.380 3.519 20 0 EHADRM Cc1ccc([C@@H](C)N(C)C(=O)c2ccc(/C=C/C(=O)[O-])o2)c(C)c1 ZINC000864177830 1137217919 /nfs/dbraw/zinc/21/79/19/1137217919.db2.gz MZVRLKJLDLFDIC-DNGMOHDESA-N -1 0 327.380 3.827 20 0 EHADRM O=C([O-])c1coc(/C=C\C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)c1 ZINC000864180421 1137218125 /nfs/dbraw/zinc/21/81/25/1137218125.db2.gz QXFAVUXUYSTTDT-XZVRFQMRSA-N -1 0 343.354 3.884 20 0 EHADRM CC[C@@H](c1ccccc1OC)N(C)C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000864178236 1137218145 /nfs/dbraw/zinc/21/81/45/1137218145.db2.gz ZWNAHKKLLWRWBV-YDZSZYSISA-N -1 0 343.379 3.609 20 0 EHADRM Cc1ccc(SCCC(=O)N[C@@](C)(CC(=O)[O-])C2CC2)cc1C ZINC000864197611 1137218714 /nfs/dbraw/zinc/21/87/14/1137218714.db2.gz HPPJCUDRNPBKOF-SFHVURJKSA-N -1 0 335.469 3.545 20 0 EHADRM CCCc1occc1C(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000864196704 1137218717 /nfs/dbraw/zinc/21/87/17/1137218717.db2.gz SJEYQTLUZLMSAX-GOSISDBHSA-N -1 0 349.814 3.701 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)/C=C\c1csc(C(F)(F)F)c1)C1CC1 ZINC000864201363 1137218956 /nfs/dbraw/zinc/21/89/56/1137218956.db2.gz SXXPFNGGNCWWGE-DQWBNOTDSA-N -1 0 347.358 3.540 20 0 EHADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)c1cc3cc(Cl)ccc3s1)C2 ZINC000864211251 1137219192 /nfs/dbraw/zinc/21/91/92/1137219192.db2.gz HYNNFCMBLAQSCF-RBIVETJNSA-N -1 0 335.812 3.538 20 0 EHADRM CCC[C@H](C(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000864211386 1137219212 /nfs/dbraw/zinc/21/92/12/1137219212.db2.gz NCQUGYHIGKIYEF-WLLUSJSYSA-N -1 0 335.831 3.593 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c1 ZINC000864216166 1137219215 /nfs/dbraw/zinc/21/92/15/1137219215.db2.gz BYUZFXKYSKHGFA-UHFFFAOYSA-N -1 0 341.382 3.852 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)CCc2cccc(F)c2F)c1 ZINC000864228664 1137219421 /nfs/dbraw/zinc/21/94/21/1137219421.db2.gz FBPPMSYMOBOETI-MRXNPFEDSA-N -1 0 347.361 3.538 20 0 EHADRM O=C([O-])C12CCC(CC1)N2C(=O)Nc1cccc(SC(F)F)c1 ZINC000864582432 1137235285 /nfs/dbraw/zinc/23/52/85/1137235285.db2.gz BGZJPSVYRVGSRS-UHFFFAOYSA-N -1 0 342.367 3.615 20 0 EHADRM O=C([O-])[C@H]1[C@@H]2c3cc(-c4ccc(C(F)(F)F)cc4CO)ccc3C[C@H]12 ZINC000864610764 1137236323 /nfs/dbraw/zinc/23/63/23/1137236323.db2.gz STGPLLNSICTHOW-GVDBMIGSSA-N -1 0 348.320 3.835 20 0 EHADRM COc1ccc(CCC(=O)[O-])c(-c2ccc(C3(O)CCC3)cc2)c1 ZINC000864611693 1137236702 /nfs/dbraw/zinc/23/67/02/1137236702.db2.gz DMVSVPBPIBGZTQ-UHFFFAOYSA-N -1 0 326.392 3.751 20 0 EHADRM Cc1ncc(S(=O)(=O)[N-]c2ccccc2SC(C)C)s1 ZINC000339071309 1137249357 /nfs/dbraw/zinc/24/93/57/1137249357.db2.gz IKHVYSSWBKFEJR-UHFFFAOYSA-N -1 0 328.484 3.753 20 0 EHADRM O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)c1ccc2[n-]c(=S)oc2c1 ZINC000120306332 1137253848 /nfs/dbraw/zinc/25/38/48/1137253848.db2.gz YBESKVJONOLILF-GXTWGEPZSA-N -1 0 328.368 3.542 20 0 EHADRM O=C([O-])[C@H]1C[C@H](Nc2cc(Cl)nc(C3CC3)n2)c2ccccc21 ZINC000844930811 1137263666 /nfs/dbraw/zinc/26/36/66/1137263666.db2.gz GBKQXTKWENLSKP-STQMWFEESA-N -1 0 329.787 3.733 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000120639241 1137295362 /nfs/dbraw/zinc/29/53/62/1137295362.db2.gz SYMIQGNFZODFJI-UTSBKAFOSA-N -1 0 327.355 3.741 20 0 EHADRM C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(Br)cc(F)c1[O-] ZINC001144543960 1137307830 /nfs/dbraw/zinc/30/78/30/1137307830.db2.gz INENOCWIUARVKF-RKDXNWHRSA-N -1 0 330.197 3.697 20 0 EHADRM [O-]c1cc(F)c(C[NH+]2CCC3(CC(OCC4CC4)C3)CC2)cc1F ZINC001144654163 1137323087 /nfs/dbraw/zinc/32/30/87/1137323087.db2.gz BJEBQNLIUKOWMN-UHFFFAOYSA-N -1 0 337.410 3.842 20 0 EHADRM CC(C)[C@H]1CCC[C@@H](NC(=O)c2nn(-c3ccccc3F)cc2[O-])C1 ZINC001144745648 1137341770 /nfs/dbraw/zinc/34/17/70/1137341770.db2.gz IVEVBMWYLFYFML-UONOGXRCSA-N -1 0 345.418 3.662 20 0 EHADRM O=C([O-])c1cc(Br)cc(N[C@H]2COCc3ccccc32)c1 ZINC001171296766 1137400835 /nfs/dbraw/zinc/40/08/35/1137400835.db2.gz XECAHORJZIIXNG-HNNXBMFYSA-N -1 0 348.196 3.831 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cnn(CC2CCCC2)c1 ZINC000868332650 1137406535 /nfs/dbraw/zinc/40/65/35/1137406535.db2.gz PFGAWISBKYUVMQ-UHFFFAOYSA-N -1 0 337.782 3.824 20 0 EHADRM COc1ccc(F)c(C(=O)Nc2cc(Cl)c(C)c(Cl)c2[O-])n1 ZINC001147777863 1137412724 /nfs/dbraw/zinc/41/27/24/1137412724.db2.gz LXWGJZVEAJKCSX-UHFFFAOYSA-N -1 0 345.157 3.802 20 0 EHADRM C[C@@H]1CN(C(=O)c2s[n-]c(=O)c2Cl)CC[C@H]1c1ccccc1 ZINC001148039487 1137417540 /nfs/dbraw/zinc/41/75/40/1137417540.db2.gz WRMKJBZERDPIIN-ZYHUDNBSSA-N -1 0 336.844 3.768 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)NC3CC(C)(C)C3)n2)cc1 ZINC001148382233 1137423822 /nfs/dbraw/zinc/42/38/22/1137423822.db2.gz UUNPPTUPHFMOLB-UHFFFAOYSA-N -1 0 327.428 3.620 20 0 EHADRM Cc1cccnc1CCCNC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001148805566 1137435412 /nfs/dbraw/zinc/43/54/12/1137435412.db2.gz BQDVQZJBFNLIAU-UHFFFAOYSA-N -1 0 339.222 3.765 20 0 EHADRM CC(C)n1cc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)cn1 ZINC000266095876 1137496188 /nfs/dbraw/zinc/49/61/88/1137496188.db2.gz RNPYAQNBCCGKET-UHFFFAOYSA-N -1 0 347.412 3.580 20 0 EHADRM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)[N-]OCCCC(F)(F)F ZINC000871213218 1137527420 /nfs/dbraw/zinc/52/74/20/1137527420.db2.gz MBUSMEOMDRYJLD-MRVPVSSYSA-N -1 0 343.704 3.637 20 0 EHADRM O=C([N-]OCCCC(F)(F)F)C1(c2nccc3ccccc32)CC1 ZINC000871216916 1137528046 /nfs/dbraw/zinc/52/80/46/1137528046.db2.gz FEBHHYHFUZXNNF-UHFFFAOYSA-N -1 0 338.329 3.657 20 0 EHADRM Cc1c([N-]S(=O)(=O)Cc2cccc(Cl)c2)noc1C(C)(C)C ZINC000872009407 1137564385 /nfs/dbraw/zinc/56/43/85/1137564385.db2.gz YBBRXRRYQYWADE-UHFFFAOYSA-N -1 0 342.848 3.876 20 0 EHADRM C[C@@]1(Cc2ccc(F)c(F)c2)CCC[N@@H+]1Cc1cc(C(=O)[O-])co1 ZINC000872163191 1137574755 /nfs/dbraw/zinc/57/47/55/1137574755.db2.gz ZJUGNRXGMJFEPY-SFHVURJKSA-N -1 0 335.350 3.853 20 0 EHADRM CC(F)(F)c1c(F)cccc1[N-]S(=O)(=O)CCc1cccs1 ZINC000872405136 1137579390 /nfs/dbraw/zinc/57/93/90/1137579390.db2.gz JKZLATTYEXXGEQ-UHFFFAOYSA-N -1 0 349.399 3.983 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cc2csc(C3CC3)n2)cc1Cl ZINC000872697490 1137582902 /nfs/dbraw/zinc/58/29/02/1137582902.db2.gz MSWFZBDJDBVXSL-UHFFFAOYSA-N -1 0 336.800 3.553 20 0 EHADRM Cc1nc([C@H](C)NC(=O)c2sccc2C(F)F)sc1C(=O)[O-] ZINC000872718202 1137583189 /nfs/dbraw/zinc/58/31/89/1137583189.db2.gz KWSGRTMLQNMEKB-LURJTMIESA-N -1 0 346.380 3.640 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC000872739589 1137583571 /nfs/dbraw/zinc/58/35/71/1137583571.db2.gz JNEQQTUHUQSSHU-YRXWBPOGSA-N -1 0 343.467 3.666 20 0 EHADRM CCO[C@@H]1C[C@H](NC(=O)c2ccc3oc(=S)[n-]c3c2)C1(CC)CC ZINC001137062868 1137584590 /nfs/dbraw/zinc/58/45/90/1137584590.db2.gz GJXQWVXYHIDXQT-LSDHHAIUSA-N -1 0 348.468 3.830 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)C(C)(C)SCC(=O)[O-] ZINC000872833970 1137585284 /nfs/dbraw/zinc/58/52/84/1137585284.db2.gz ZHULPGSPFJXARY-UHFFFAOYSA-N -1 0 343.876 4.000 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)[C@@](C)(CC(=O)[O-])c2ccc(F)cc2)s1 ZINC000872838659 1137585408 /nfs/dbraw/zinc/58/54/08/1137585408.db2.gz HHGATRMJBSFRKJ-SGTLLEGYSA-N -1 0 349.427 3.805 20 0 EHADRM CC(C)c1cc(Cl)ccc1NC(=O)C(C)(C)SCC(=O)[O-] ZINC000872881844 1137585968 /nfs/dbraw/zinc/58/59/68/1137585968.db2.gz KXNIMYQJYVGDAW-UHFFFAOYSA-N -1 0 329.849 3.998 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000872901661 1137586238 /nfs/dbraw/zinc/58/62/38/1137586238.db2.gz GMOJZOGJPMOERK-INIZCTEOSA-N -1 0 347.480 3.651 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)N1CC(C)(C)C[C@H]1c1ccccc1 ZINC000872978750 1137587427 /nfs/dbraw/zinc/58/74/27/1137587427.db2.gz SCOWGRRBWXZFDF-AWEZNQCLSA-N -1 0 335.469 3.583 20 0 EHADRM Cc1ccc(-c2ccccc2NC(=O)[C@H](C)O[C@H](C)C(=O)[O-])s1 ZINC000872994136 1137587688 /nfs/dbraw/zinc/58/76/88/1137587688.db2.gz MSTPQWNHNHFJNM-NWDGAFQWSA-N -1 0 333.409 3.540 20 0 EHADRM O=C([O-])c1cnc(NCCSCCC(F)(F)F)c(Cl)c1 ZINC000873068230 1137589310 /nfs/dbraw/zinc/58/93/10/1137589310.db2.gz JSVHVVLYWSSILU-UHFFFAOYSA-N -1 0 328.743 3.531 20 0 EHADRM CC(C)N(Cc1cccc(F)c1)C(=O)NCc1ccccc1C(=O)[O-] ZINC000874410176 1137613773 /nfs/dbraw/zinc/61/37/73/1137613773.db2.gz LWFWZQNKJGKWDS-UHFFFAOYSA-N -1 0 344.386 3.644 20 0 EHADRM Cc1csc([C@@H]2CCN(C(=O)c3cc(F)c([O-])c(Cl)c3)C2)n1 ZINC000874497763 1137616306 /nfs/dbraw/zinc/61/63/06/1137616306.db2.gz PKUACCAIVVWUQL-SECBINFHSA-N -1 0 340.807 3.579 20 0 EHADRM O=Cc1cc(-c2cc(Cl)cc(Cl)c2)ccc1OCC(=O)[O-] ZINC000874970012 1137627278 /nfs/dbraw/zinc/62/72/78/1137627278.db2.gz YDPKSOYJBZXBDF-UHFFFAOYSA-N -1 0 325.147 3.936 20 0 EHADRM Cc1onc(OC(F)F)c1[N-]C(=O)c1nc(C(C)(C)C)cs1 ZINC000875617071 1137635882 /nfs/dbraw/zinc/63/58/82/1137635882.db2.gz ATFFRXRSIOWZQB-UHFFFAOYSA-N -1 0 331.344 3.591 20 0 EHADRM Cc1ccc([C@H]2CCCCN2C(=O)c2n[n-]c3ccccc3c2=O)cc1 ZINC000128902443 1137804681 /nfs/dbraw/zinc/80/46/81/1137804681.db2.gz NZGFGSNMUJIASE-GOSISDBHSA-N -1 0 347.418 3.599 20 0 EHADRM Cc1c2ccccc2oc(=O)c1C(=O)Nc1ccc(O)c(Cl)c1 ZINC000129583191 1137825465 /nfs/dbraw/zinc/82/54/65/1137825465.db2.gz LMEOHNCEEPFZTN-UHFFFAOYSA-N -1 0 329.739 3.713 20 0 EHADRM O=S(=O)([N-]c1ncsc1C1CC1)c1cccc(C(F)(F)F)c1 ZINC000882770977 1137833842 /nfs/dbraw/zinc/83/38/42/1137833842.db2.gz JJGWKKKACJYNHI-UHFFFAOYSA-N -1 0 348.371 3.840 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1 ZINC000131709600 1137859368 /nfs/dbraw/zinc/85/93/68/1137859368.db2.gz DZXYLNAZMXNJRG-HZPDHXFCSA-N -1 0 345.464 3.696 20 0 EHADRM O=C(Nc1cc(C2CCCCC2)[nH]n1)c1ncc2ccccc2c1[O-] ZINC001137191206 1137863367 /nfs/dbraw/zinc/86/33/67/1137863367.db2.gz DQJCBQANAQFIGE-UHFFFAOYSA-N -1 0 336.395 3.964 20 0 EHADRM Cc1ccccc1S([O-])=CC(=O)N(Cc1ccccc1)C(C)C ZINC000108090523 1137888675 /nfs/dbraw/zinc/88/86/75/1137888675.db2.gz JQJNNOPSAJVRGZ-QHCPKHFHSA-N -1 0 329.465 3.540 20 0 EHADRM Cc1ccc(CN(C(=O)c2s[n-]c(=O)c2Cl)C(C)C)s1 ZINC000282868989 1137891525 /nfs/dbraw/zinc/89/15/25/1137891525.db2.gz ALBZLJPATXCTRC-UHFFFAOYSA-N -1 0 330.862 3.923 20 0 EHADRM Cc1cc(C)cc(CS(=O)(=O)[N-]c2nc3ccsc3s2)c1 ZINC000800034892 1137895156 /nfs/dbraw/zinc/89/51/56/1137895156.db2.gz BELBUIUFFZFXGP-UHFFFAOYSA-N -1 0 338.479 3.917 20 0 EHADRM Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000331423943 1137907745 /nfs/dbraw/zinc/90/77/45/1137907745.db2.gz QQLYBKOILHBGQG-WMZOPIPTSA-N -1 0 347.361 3.629 20 0 EHADRM C[C@@H]1CCN(C(=O)N=c2nc(C(C)(C)C)[n-]s2)[C@@H](c2ccco2)C1 ZINC000331588559 1137913422 /nfs/dbraw/zinc/91/34/22/1137913422.db2.gz KNVZEIMFNVPGTN-VXGBXAGGSA-N -1 0 348.472 3.856 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2CC[C@@H](C)[C@H]2c2cccc(F)c2)s1 ZINC000331605868 1137914263 /nfs/dbraw/zinc/91/42/63/1137914263.db2.gz VWFSGENGLJTNLN-ABAIWWIYSA-N -1 0 348.447 3.667 20 0 EHADRM CCCc1nc(=NC(=O)N2CCC[C@H]2c2ccccc2C)s[n-]1 ZINC000331612542 1137914458 /nfs/dbraw/zinc/91/44/58/1137914458.db2.gz WSFYIKJIOUGJSQ-AWEZNQCLSA-N -1 0 330.457 3.590 20 0 EHADRM CCCCCC[C@@H](CC)C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000116623158 1137926570 /nfs/dbraw/zinc/92/65/70/1137926570.db2.gz NPBXOOFTLXUTPA-CYBMUJFWSA-N -1 0 349.500 3.940 20 0 EHADRM C[C@H]1CC[C@@](C)(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)C1(C)C ZINC000332088565 1137931344 /nfs/dbraw/zinc/93/13/44/1137931344.db2.gz ADTUGBJIZUNKKI-VOJFVSQTSA-N -1 0 347.484 3.818 20 0 EHADRM CC[C@H]1CC[C@H](C)N1C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000332156074 1137933883 /nfs/dbraw/zinc/93/38/83/1137933883.db2.gz UIYFIFNYDOFEON-AAEUAGOBSA-N -1 0 333.819 3.634 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)s1 ZINC000332189992 1137935030 /nfs/dbraw/zinc/93/50/30/1137935030.db2.gz UXOKYKPXALGSNJ-UHFFFAOYSA-N -1 0 335.450 3.630 20 0 EHADRM COCCCCN(Cc1ccccc1)C(=O)c1c([O-])cccc1F ZINC000120801362 1137952491 /nfs/dbraw/zinc/95/24/91/1137952491.db2.gz DCWVIRFMSKZNPD-UHFFFAOYSA-N -1 0 331.387 3.600 20 0 EHADRM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2s[n-]c(=O)c2Cl)C1 ZINC000282935849 1137999357 /nfs/dbraw/zinc/99/93/57/1137999357.db2.gz DCVYBBFROCUEJD-MNOVXSKESA-N -1 0 336.844 3.829 20 0 EHADRM CC1(C)C[C@@H](O)c2cccc(NC(=O)c3ccc([O-])c(Cl)c3)c2O1 ZINC000885651096 1138014541 /nfs/dbraw/zinc/01/45/41/1138014541.db2.gz LOOCVEIHOANAIR-OAHLLOKOSA-N -1 0 347.798 3.892 20 0 EHADRM CCSCc1cccnc1[N-]S(=O)(=O)c1ccc(CC)cc1 ZINC000886444922 1138078639 /nfs/dbraw/zinc/07/86/39/1138078639.db2.gz PQNHZGSXIZKAOP-UHFFFAOYSA-N -1 0 336.482 3.698 20 0 EHADRM CC[C@]1(C)CCCN(C(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)C1 ZINC000075213299 1138126158 /nfs/dbraw/zinc/12/61/58/1138126158.db2.gz VIRJKCLVPTVVQE-QGZVFWFLSA-N -1 0 331.441 3.650 20 0 EHADRM Cc1cccc2cc(C(=O)N3CC4(CCC4)[C@@](F)(C(=O)[O-])C3)sc21 ZINC000826535428 1138210203 /nfs/dbraw/zinc/21/02/03/1138210203.db2.gz WTHVLGCCRMIMQQ-SFHVURJKSA-N -1 0 347.411 3.629 20 0 EHADRM CC(C)c1cc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)ccc1O ZINC000887317736 1138263700 /nfs/dbraw/zinc/26/37/00/1138263700.db2.gz QKPINNMMPBZCLQ-HXUWFJFHSA-N -1 0 341.407 3.887 20 0 EHADRM Cc1ccc(OC2CCN(C(=O)c3ccc(F)cc3[O-])CC2)cc1 ZINC000123839735 1138274884 /nfs/dbraw/zinc/27/48/84/1138274884.db2.gz YRIMFYKYFSNYFV-UHFFFAOYSA-N -1 0 329.371 3.523 20 0 EHADRM Cc1ccc(C)c(NC(=O)N[C@](C)(Cc2ccc(F)cc2)C(=O)[O-])c1 ZINC000887381219 1138293097 /nfs/dbraw/zinc/29/30/97/1138293097.db2.gz LLIXVJSFPSDSCK-LJQANCHMSA-N -1 0 344.386 3.650 20 0 EHADRM CCCOc1ccc(NC(=O)N[C@@H](CCF)C(=O)[O-])cc1C(C)C ZINC000887382383 1138294027 /nfs/dbraw/zinc/29/40/27/1138294027.db2.gz GERGXQGHJIYGBS-AWEZNQCLSA-N -1 0 340.395 3.533 20 0 EHADRM CC(C)(CC(=O)Nc1ccc(Cl)cc1Br)C(=O)[O-] ZINC000126377394 1138329626 /nfs/dbraw/zinc/32/96/26/1138329626.db2.gz HBQUNFSSOLXMNZ-UHFFFAOYSA-N -1 0 334.597 3.542 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CC[C@@H](O)CC12CCC2 ZINC000333790082 1138332176 /nfs/dbraw/zinc/33/21/76/1138332176.db2.gz WDUNZERAHAQXFD-GFCCVEGCSA-N -1 0 345.826 3.718 20 0 EHADRM CCOCc1cccc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000263823528 1138375029 /nfs/dbraw/zinc/37/50/29/1138375029.db2.gz QVTSJMNQUNDESW-FQEVSTJZSA-N -1 0 341.407 3.594 20 0 EHADRM O=C(Nc1ccc(F)cc1OCCC(F)(F)F)c1ncccc1[O-] ZINC000337612543 1138621301 /nfs/dbraw/zinc/62/13/01/1138621301.db2.gz ADNBHAUFLHQREK-UHFFFAOYSA-N -1 0 344.264 3.510 20 0 EHADRM Cn1ccc2cccc([N-]S(=O)(=O)c3cnc4ccccc4c3)c21 ZINC000337852812 1138682127 /nfs/dbraw/zinc/68/21/27/1138682127.db2.gz JXVPNJFQHBZMLZ-UHFFFAOYSA-N -1 0 337.404 3.527 20 0 EHADRM CC(C)N(Cc1cccs1)C(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000338253232 1138801312 /nfs/dbraw/zinc/80/13/12/1138801312.db2.gz AEZKUVMTADYNDE-UHFFFAOYSA-N -1 0 348.453 3.724 20 0 EHADRM CCc1nc2cc(CN=c3nc(C4CC4)[n-]s3)ccc2n1C1CC1 ZINC000338484293 1138936249 /nfs/dbraw/zinc/93/62/49/1138936249.db2.gz NRXBMYVHVUTPGB-UHFFFAOYSA-N -1 0 339.468 3.697 20 0 EHADRM CC(=O)c1cc(F)c(NC(=O)c2cnc(CC3CC3)s2)c(F)c1 ZINC000889728118 1139260666 /nfs/dbraw/zinc/26/06/66/1139260666.db2.gz FFZLNASMYYCUGU-UHFFFAOYSA-N -1 0 336.363 3.829 20 0 EHADRM Cc1cccc(C(C)(C)NC(=O)CSc2n[n-]c(=S)s2)c1 ZINC000176358202 1139553210 /nfs/dbraw/zinc/55/32/10/1139553210.db2.gz QXPWFSZAEVZOSU-UHFFFAOYSA-N -1 0 339.511 3.653 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(F)cc(Cl)c2[O-])C[C@@H](c2ccccc2)O1 ZINC000177111676 1139598284 /nfs/dbraw/zinc/59/82/84/1139598284.db2.gz ADBPRTVJTDUSFR-ZBEGNZNMSA-N -1 0 349.789 3.787 20 0 EHADRM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000183071011 1140010813 /nfs/dbraw/zinc/01/08/13/1140010813.db2.gz NXUJOGIEKCMQKN-PWSUYJOCSA-N -1 0 335.325 3.828 20 0 EHADRM O=C(NCC1(Cc2ccccc2)CC1)c1cc(F)c(F)c([O-])c1F ZINC000183388897 1140034182 /nfs/dbraw/zinc/03/41/82/1140034182.db2.gz DASVTCVSMOPXQM-UHFFFAOYSA-N -1 0 335.325 3.562 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCCCC[C@H]1c1ccncc1 ZINC000183407649 1140035767 /nfs/dbraw/zinc/03/57/67/1140035767.db2.gz HUBUASOHDPOMOI-INIZCTEOSA-N -1 0 332.350 3.823 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)/C=C/c1ccnc2ccccc12 ZINC000191179140 1140442162 /nfs/dbraw/zinc/44/21/62/1140442162.db2.gz HXIPZZDIXAJKOT-VAWYXSNFSA-N -1 0 340.423 3.789 20 0 EHADRM COc1cc(C(=O)NCCCCCCCC(=O)[O-])ccc1Cl ZINC000191181756 1140442265 /nfs/dbraw/zinc/44/22/65/1140442265.db2.gz RLVDTVGYNQIMIU-UHFFFAOYSA-N -1 0 327.808 3.504 20 0 EHADRM COc1ccc(N(C(=O)C2CCC(C(=O)[O-])CC2)[C@H](C)C2CC2)cc1 ZINC000194407013 1140608467 /nfs/dbraw/zinc/60/84/67/1140608467.db2.gz YXZSNJBVSWTQRJ-IUDNXUCKSA-N -1 0 345.439 3.718 20 0 EHADRM O=C([O-])C1CCC(C(=O)N[C@@H]2CCCC[C@H]2Cc2ccccc2)CC1 ZINC000194410014 1140608757 /nfs/dbraw/zinc/60/87/57/1140608757.db2.gz RULFFACSNWFVJM-WZOJCFFYSA-N -1 0 343.467 3.795 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000194433527 1140609949 /nfs/dbraw/zinc/60/99/49/1140609949.db2.gz QDAWWLVPQPJLDL-DAWZGUTISA-N -1 0 331.456 3.666 20 0 EHADRM Cc1ccc(C)c(S([O-])=CC(=O)N[C@H](c2ccccc2)C2CC2)c1 ZINC000194495543 1140612139 /nfs/dbraw/zinc/61/21/39/1140612139.db2.gz SKYIVQMJIIXGIV-HYBUGGRVSA-N -1 0 341.476 3.679 20 0 EHADRM O=C(C[C@H]1CCCCO1)Nc1cc(Br)cc(Cl)c1[O-] ZINC000270673892 1141255340 /nfs/dbraw/zinc/25/53/40/1141255340.db2.gz RWRTWNNPUMRTLK-SECBINFHSA-N -1 0 348.624 3.706 20 0 EHADRM O=C(N[C@H](c1ccc(F)cc1)C1CCC1)c1s[n-]c(=O)c1Cl ZINC000283075982 1141548369 /nfs/dbraw/zinc/54/83/69/1141548369.db2.gz NRFIWFDTDRXVFL-LBPRGKRZSA-N -1 0 340.807 3.912 20 0 EHADRM O=C(c1s[n-]c(=O)c1Cl)N1CCC[C@H]1c1cccc(F)c1 ZINC000283077499 1141548744 /nfs/dbraw/zinc/54/87/44/1141548744.db2.gz QDKZYWCVFIHEEC-JTQLQIEISA-N -1 0 326.780 3.619 20 0 EHADRM Cc1nc(C=Cc2csc(Cl)c2Cl)[nH]c(=O)c1CC(=O)[O-] ZINC000349107368 1141639674 /nfs/dbraw/zinc/63/96/74/1141639674.db2.gz JQCAPFWUKGRQMV-IHWYPQMZSA-N -1 0 345.207 3.656 20 0 EHADRM Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000038052597 213198721 /nfs/dbraw/zinc/19/87/21/213198721.db2.gz JYIIFJWYZGPDQB-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM CCOc1ccccc1OCCCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000013094605 521564009 /nfs/dbraw/zinc/56/40/09/521564009.db2.gz BGVOPQUEFFKJOO-UHFFFAOYSA-N -1 0 343.379 3.581 20 0 EHADRM Cc1ccc(SCC(=O)N[C@H](CC(=O)[O-])c2ccccc2)c(C)c1 ZINC000013224777 525647936 /nfs/dbraw/zinc/64/79/36/525647936.db2.gz ZLXORZIRPVUHGA-MRXNPFEDSA-N -1 0 343.448 3.728 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@H]2CCCc3ccccc32)c(C)c1 ZINC000107971748 526094227 /nfs/dbraw/zinc/09/42/27/526094227.db2.gz NOSGGIFFBFOMBH-UUOWRZLLSA-N -1 0 341.476 3.605 20 0 EHADRM C[C@H](OC(=O)CCCNC(=O)[O-])c1c(Cl)ccc(F)c1Cl ZINC000736691046 599800122 /nfs/dbraw/zinc/80/01/22/599800122.db2.gz VAPLRAYNNLDJPY-ZETCQYMHSA-N -1 0 338.162 3.785 20 0 EHADRM O=C([O-])C1CCN(c2nc(-c3cccs3)nc3ccccc32)CC1 ZINC000261930787 596916399 /nfs/dbraw/zinc/91/63/99/596916399.db2.gz LEYFQOQVRUDOLJ-UHFFFAOYSA-N -1 0 339.420 3.659 20 0 EHADRM O=C([O-])C1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1 ZINC000238041555 596934903 /nfs/dbraw/zinc/93/49/03/596934903.db2.gz FYRNVESTBORATN-UHFFFAOYSA-N -1 0 333.771 3.537 20 0 EHADRM Cc1ccc(Oc2ccccc2NC(=O)CSCC(=O)[O-])cc1 ZINC000322117792 597082748 /nfs/dbraw/zinc/08/27/48/597082748.db2.gz LBJDRHDMIMUXNA-UHFFFAOYSA-N -1 0 331.393 3.544 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)c2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000676217668 597095831 /nfs/dbraw/zinc/09/58/31/597095831.db2.gz UMADGMOVCHFFPU-CQSZACIVSA-N -1 0 335.403 3.585 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)Nc2ccc(Cl)c3ncccc23)C1 ZINC000819365227 597117727 /nfs/dbraw/zinc/11/77/27/597117727.db2.gz ZPOYPOIPEWTTRW-NSHDSACASA-N -1 0 347.802 3.607 20 0 EHADRM CC(C)(C)[C@H](NC(=O)N1CCC[C@H](CC(=O)[O-])C1)c1ccccc1 ZINC000574138515 597118837 /nfs/dbraw/zinc/11/88/37/597118837.db2.gz XBCBBBXYIWDKHU-RHSMWYFYSA-N -1 0 332.444 3.670 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)Nc2cc(-c3ccccc3)ns2)C1 ZINC000562806497 597120977 /nfs/dbraw/zinc/12/09/77/597120977.db2.gz DLSFDUPPZRZJIF-GFCCVEGCSA-N -1 0 345.424 3.529 20 0 EHADRM O=C([O-])Cc1cccc(NCc2ccc(OCC(F)(F)F)cc2)c1 ZINC000740487940 597130122 /nfs/dbraw/zinc/13/01/22/597130122.db2.gz YNEAPNDIMPAUCP-UHFFFAOYSA-N -1 0 339.313 3.867 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737745708 597184668 /nfs/dbraw/zinc/18/46/68/597184668.db2.gz XRHWLORMSYXDGS-PBHICJAKSA-N -1 0 338.407 3.724 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)C(C)C ZINC000738322403 597190651 /nfs/dbraw/zinc/19/06/51/597190651.db2.gz RTJHBJVMCYCURX-KRWDZBQOSA-N -1 0 341.411 3.536 20 0 EHADRM CCN(C(=O)Nc1cccc(CC(=O)[O-])c1)[C@@H](C)c1cccc(O)c1 ZINC000818190145 597200114 /nfs/dbraw/zinc/20/01/14/597200114.db2.gz CXXQVXBNHORTBT-ZDUSSCGKSA-N -1 0 342.395 3.634 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000263355518 597230383 /nfs/dbraw/zinc/23/03/83/597230383.db2.gz IVWOOIHPBNPOPR-AWEZNQCLSA-N -1 0 326.396 3.596 20 0 EHADRM Cc1ccc(-c2ocnc2C(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000818864365 597317251 /nfs/dbraw/zinc/31/72/51/597317251.db2.gz RECSBVHVCZWRDT-UHFFFAOYSA-N -1 0 336.347 3.529 20 0 EHADRM C[C@H](Cc1ccccc1Cl)NC(=O)Nc1ccccc1CC(=O)[O-] ZINC000818013942 597331499 /nfs/dbraw/zinc/33/14/99/597331499.db2.gz WKBXSHSFCYYHSN-GFCCVEGCSA-N -1 0 346.814 3.720 20 0 EHADRM Cc1ccc([C@@H](NC(=O)Nc2ccccc2CC(=O)[O-])C2CC2)cc1 ZINC000818885390 597336752 /nfs/dbraw/zinc/33/67/52/597336752.db2.gz SMCXDTBIMOAPRN-LJQANCHMSA-N -1 0 338.407 3.895 20 0 EHADRM C[C@@H](NC(=O)Nc1ccccc1CC(=O)[O-])C(C)(C)c1ccccc1 ZINC000818039692 597337904 /nfs/dbraw/zinc/33/79/04/597337904.db2.gz LYPAQZVDYZXZEV-CQSZACIVSA-N -1 0 340.423 3.802 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N1CCC(C2CCCC2)CC1 ZINC000819602864 597342229 /nfs/dbraw/zinc/34/22/29/597342229.db2.gz IGRGUVYNUBBESS-UHFFFAOYSA-N -1 0 330.428 3.748 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)Nc1ccccc1OCC1CC1 ZINC000819623520 597342862 /nfs/dbraw/zinc/34/28/62/597342862.db2.gz JUCUXZHSSMDOEQ-UHFFFAOYSA-N -1 0 340.379 3.747 20 0 EHADRM Cc1cc(NC(=O)N(CCc2nccs2)C(C)C)ccc1C(=O)[O-] ZINC000821018956 597479721 /nfs/dbraw/zinc/47/97/21/597479721.db2.gz MXZOODDWDWBXKM-UHFFFAOYSA-N -1 0 347.440 3.635 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)N[C@H](CC(C)C)C(=O)[O-])c2)oc1C ZINC000581704585 597509177 /nfs/dbraw/zinc/50/91/77/597509177.db2.gz VGHXROJPZNWYPV-OAHLLOKOSA-N -1 0 345.399 3.579 20 0 EHADRM C[C@@H](Nc1cccc(CC(=O)[O-])c1)c1ccc(N2CCCC2=O)cc1 ZINC000820154380 598198240 /nfs/dbraw/zinc/19/82/40/598198240.db2.gz NCAVBLVACRMVMY-CQSZACIVSA-N -1 0 338.407 3.614 20 0 EHADRM O=C([O-])c1cccc(C=C(Cl)c2nc3ccccc3c(=O)[nH]2)c1 ZINC000774121327 598201460 /nfs/dbraw/zinc/20/14/60/598201460.db2.gz QNAPPTYVVOHEJS-LCYFTJDESA-N -1 0 326.739 3.771 20 0 EHADRM C[C@H](NC(=O)NC1CCC(C(=O)[O-])CC1)c1cc2ccccc2s1 ZINC000263429508 599702025 /nfs/dbraw/zinc/70/20/25/599702025.db2.gz YNEUDXYCZCWLDA-DCBWTQNWSA-N -1 0 346.452 3.905 20 0 EHADRM Cc1sc(NC(=O)N(C)Cc2ccc(F)cc2)c(C(=O)[O-])c1C ZINC000320485926 599703694 /nfs/dbraw/zinc/70/36/94/599703694.db2.gz UNOLPDPJWRBXKO-UHFFFAOYSA-N -1 0 336.388 3.866 20 0 EHADRM CCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1OCC ZINC000327410258 599704749 /nfs/dbraw/zinc/70/47/49/599704749.db2.gz LYKDIEKOUZVTQF-UHFFFAOYSA-N -1 0 347.342 3.574 20 0 EHADRM Cc1cc(C)c(-c2csc(NC(=O)CCCNC(=O)[O-])n2)cc1C ZINC000738351401 599708804 /nfs/dbraw/zinc/70/88/04/599708804.db2.gz LRFDXZARLPSOEH-UHFFFAOYSA-N -1 0 347.440 3.722 20 0 EHADRM CCCC[C@H](Sc1nnc(NCc2ccccc2)s1)C(=O)[O-] ZINC000736985714 599709887 /nfs/dbraw/zinc/70/98/87/599709887.db2.gz QOINDFXLKHIAJE-LBPRGKRZSA-N -1 0 337.470 3.886 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N2CC[C@H](c3ccccc3)C2)ccc1F ZINC000740005189 599714829 /nfs/dbraw/zinc/71/48/29/599714829.db2.gz JSHQTFUFLOWDKY-ZDUSSCGKSA-N -1 0 343.358 3.937 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000737947232 599714980 /nfs/dbraw/zinc/71/49/80/599714980.db2.gz HKQRKTZMKLIGLY-SNVBAGLBSA-N -1 0 347.346 3.807 20 0 EHADRM Cc1ccc(CN(C)C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000738594511 599715980 /nfs/dbraw/zinc/71/59/80/599715980.db2.gz PSJUFJYEZXKAEP-UHFFFAOYSA-N -1 0 331.347 3.888 20 0 EHADRM CC(C)CC[C@H](NC(=O)CCCNC(=O)[O-])c1ccc(Cl)cc1 ZINC000736428661 599723108 /nfs/dbraw/zinc/72/31/08/599723108.db2.gz NTUQHLMTONJSDJ-HNNXBMFYSA-N -1 0 340.851 3.981 20 0 EHADRM O=C([O-])NCCCC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000739966064 599723864 /nfs/dbraw/zinc/72/38/64/599723864.db2.gz ZCMPCWOEYLQHDH-KRWDZBQOSA-N -1 0 346.814 3.593 20 0 EHADRM C[C@@H](c1ccccc1)N(C(=O)CCCNC(=O)[O-])c1ccccc1 ZINC000736718015 599725218 /nfs/dbraw/zinc/72/52/18/599725218.db2.gz PRPPTQBXCDFMFI-HNNXBMFYSA-N -1 0 326.396 3.829 20 0 EHADRM CC(C)Cc1ccc([C@H](NC(=O)CCCNC(=O)[O-])C2CC2)cc1 ZINC000736454239 599730015 /nfs/dbraw/zinc/73/00/15/599730015.db2.gz SGFTYBQRYSPFON-SFHVURJKSA-N -1 0 332.444 3.500 20 0 EHADRM CN(CCCC(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1)C(=O)[O-] ZINC000737429215 599731382 /nfs/dbraw/zinc/73/13/82/599731382.db2.gz DOWQSDZBBNSRFR-UHFFFAOYSA-N -1 0 343.383 3.548 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)c1sc2cc(C)ccc2c1Cl ZINC000680492536 599737826 /nfs/dbraw/zinc/73/78/26/599737826.db2.gz LLRJJSPATJBXAZ-UHFFFAOYSA-N -1 0 325.817 3.800 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NCCCCCc2ccccc2)cc1 ZINC000738659633 599738527 /nfs/dbraw/zinc/73/85/27/599738527.db2.gz AMMRRDUNDLZRPJ-UHFFFAOYSA-N -1 0 326.396 3.919 20 0 EHADRM O=C([O-])c1ccc(CSc2nnc(Cc3ccccc3F)o2)cc1 ZINC000740135017 599743980 /nfs/dbraw/zinc/74/39/80/599743980.db2.gz JQIYGGCVNVBSGK-UHFFFAOYSA-N -1 0 344.367 3.790 20 0 EHADRM O=C([O-])CSCCC(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000739850149 599747010 /nfs/dbraw/zinc/74/70/10/599747010.db2.gz UMQKHKYBPISXDY-UHFFFAOYSA-N -1 0 329.377 3.732 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1cccc(-c2ccc3ccccc3c2)n1 ZINC000739553840 599749915 /nfs/dbraw/zinc/74/99/15/599749915.db2.gz RZSMEGNGCASTKP-HZPDHXFCSA-N -1 0 332.359 3.561 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2sccc2OC(F)F)ccc1F ZINC000740011939 599751259 /nfs/dbraw/zinc/75/12/59/599751259.db2.gz GOQZQJOMZXQVMB-UHFFFAOYSA-N -1 0 346.286 3.831 20 0 EHADRM COc1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c(C(=O)[O-])c1 ZINC000738035196 599754632 /nfs/dbraw/zinc/75/46/32/599754632.db2.gz YLIFPCAQXFHQHH-UHFFFAOYSA-N -1 0 344.754 3.780 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccnc(Oc3ccccc3)c2)s1 ZINC000739468046 599764258 /nfs/dbraw/zinc/76/42/58/599764258.db2.gz AQZAMSLOMCHIIV-UHFFFAOYSA-N -1 0 340.360 3.886 20 0 EHADRM Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccsc1C(=O)[O-] ZINC000738838405 599764328 /nfs/dbraw/zinc/76/43/28/599764328.db2.gz SIISRHFYRMARPT-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000327184810 599766517 /nfs/dbraw/zinc/76/65/17/599766517.db2.gz ZRTDNWAGNALMAG-UHFFFAOYSA-N -1 0 341.407 3.810 20 0 EHADRM Cc1ccc(Cl)c(OCC(=O)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC000392634027 599766586 /nfs/dbraw/zinc/76/65/86/599766586.db2.gz IZWZBLRCBVFEQY-UHFFFAOYSA-N -1 0 347.798 3.683 20 0 EHADRM Cc1cc(C)cc(C2(C(=O)Nc3ccc(CCC(=O)[O-])cc3)CC2)c1 ZINC000262216979 599770768 /nfs/dbraw/zinc/77/07/68/599770768.db2.gz STYNBGOMPFDLFH-UHFFFAOYSA-N -1 0 337.419 3.991 20 0 EHADRM Cc1ccc2c(CC(=O)Nc3ccc(CCC(=O)[O-])cc3)c[nH]c2c1 ZINC000237879358 599772445 /nfs/dbraw/zinc/77/24/45/599772445.db2.gz IBCGXZFAZFXFAL-UHFFFAOYSA-N -1 0 336.391 3.675 20 0 EHADRM Cc1[nH]c(C(=O)[C@@H](C)OC(=O)C[C@@H](C)CC(C)C)c(C)c1C(=O)[O-] ZINC000738234452 599785084 /nfs/dbraw/zinc/78/50/84/599785084.db2.gz DOBOELBSLOBVMF-GXFFZTMASA-N -1 0 337.416 3.516 20 0 EHADRM C[C@H](OC(=O)Cc1c[nH]c2cc(Cl)ccc12)c1ccc(C(=O)[O-])o1 ZINC000736694049 599785795 /nfs/dbraw/zinc/78/57/95/599785795.db2.gz RXZMUYISDFFFKN-VIFPVBQESA-N -1 0 347.754 3.959 20 0 EHADRM Cc1nc(CC(C)C)sc1C(=O)OCc1cc(C(=O)[O-])oc1C ZINC000738852214 599787514 /nfs/dbraw/zinc/78/75/14/599787514.db2.gz WNMRNTVCTCKMEO-UHFFFAOYSA-N -1 0 337.397 3.607 20 0 EHADRM CC[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000736908771 599789228 /nfs/dbraw/zinc/78/92/28/599789228.db2.gz YIAFLIVSYKJYSX-HNNXBMFYSA-N -1 0 326.396 3.836 20 0 EHADRM O=C([O-])COc1ccc(C(=O)O[C@@H]2CCc3ccc(Cl)cc32)cc1 ZINC000739824051 599793781 /nfs/dbraw/zinc/79/37/81/599793781.db2.gz SKFFLDBXFRBYLS-MRXNPFEDSA-N -1 0 346.766 3.648 20 0 EHADRM C/C(=C/C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F)C1CC1 ZINC000736120043 599799163 /nfs/dbraw/zinc/79/91/63/599799163.db2.gz DLLFWBJGEYWNPP-TWGQIWQCSA-N -1 0 343.301 3.621 20 0 EHADRM Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000262662318 599800380 /nfs/dbraw/zinc/80/03/80/599800380.db2.gz UTBHBMOSAHSSBS-XOKHGSTOSA-N -1 0 339.391 3.794 20 0 EHADRM O=C([O-])c1coc(CSc2ncnc3sc4c(c32)CCC4)c1 ZINC000740268663 599803121 /nfs/dbraw/zinc/80/31/21/599803121.db2.gz CPLCUEIHZQVOFL-UHFFFAOYSA-N -1 0 332.406 3.764 20 0 EHADRM O=C([O-])c1sccc1NC(=O)COc1c(Cl)cccc1Cl ZINC000739324776 599803184 /nfs/dbraw/zinc/80/31/84/599803184.db2.gz ULHLRQKTTDNBLR-UHFFFAOYSA-N -1 0 346.191 3.771 20 0 EHADRM O=C([O-])c1sccc1NC(=O)CSc1ccc2c(c1)CCC2 ZINC000314433074 599804378 /nfs/dbraw/zinc/80/43/78/599804378.db2.gz GOKPQIJEEARJKZ-UHFFFAOYSA-N -1 0 333.434 3.666 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)CCCCCc2ccc(O)cc2)cc1 ZINC000739877066 599808204 /nfs/dbraw/zinc/80/82/04/599808204.db2.gz JHPPKIJXKWVQHD-UHFFFAOYSA-N -1 0 341.407 3.761 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)C[C@@H]2CCCc3ccccc32)c1 ZINC000737941025 599808952 /nfs/dbraw/zinc/80/89/52/599808952.db2.gz ZPILVKWTXSSZMD-AWEZNQCLSA-N -1 0 340.375 3.809 20 0 EHADRM Cc1c(NC(=O)c2csc(-c3ccoc3)n2)cccc1C(=O)[O-] ZINC000675966789 599812731 /nfs/dbraw/zinc/81/27/31/599812731.db2.gz SFHYKROTGFUXCH-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM CC1CCC(C)(NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC000736760311 599816731 /nfs/dbraw/zinc/81/67/31/599816731.db2.gz CCNNUAVWYMSAJF-UHFFFAOYSA-N -1 0 326.343 3.753 20 0 EHADRM Cc1cccc2c1CC[C@H]2NC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000738748015 599819762 /nfs/dbraw/zinc/81/97/62/599819762.db2.gz OWFAXNDZXRSDCV-MRXNPFEDSA-N -1 0 325.368 3.894 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)NC2(c3ccc(F)cc3)CC2)cc1 ZINC000739762008 599822994 /nfs/dbraw/zinc/82/29/94/599822994.db2.gz YIDNKYCYGYVWRO-UHFFFAOYSA-N -1 0 342.370 3.654 20 0 EHADRM CCN(CCc1cccs1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000737101526 599824809 /nfs/dbraw/zinc/82/48/09/599824809.db2.gz BMTCJWQCHUUYNK-UHFFFAOYSA-N -1 0 346.452 3.862 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2ccsc2C(=O)[O-])cc1C ZINC000738501953 599826241 /nfs/dbraw/zinc/82/62/41/599826241.db2.gz BGXIENADYMTQAQ-UHFFFAOYSA-N -1 0 331.393 3.665 20 0 EHADRM Cc1ccc2c(Cl)c(C(=O)N(C)C(C)(C)C(=O)[O-])sc2c1 ZINC000738663799 599828104 /nfs/dbraw/zinc/82/81/04/599828104.db2.gz DJHJHFDURNQUGS-UHFFFAOYSA-N -1 0 325.817 3.798 20 0 EHADRM CC[C@H](C)Oc1cc(/C=C(/C(=O)[O-])c2ccncc2)ccc1OC ZINC000736888478 599830495 /nfs/dbraw/zinc/83/04/95/599830495.db2.gz XYILIEZFCJWIGN-XDUBLRSXSA-N -1 0 327.380 3.893 20 0 EHADRM O=C([O-])/C(=C/c1csc(-c2ccc(F)cc2)n1)c1ccncc1 ZINC000739488904 599831506 /nfs/dbraw/zinc/83/15/06/599831506.db2.gz CUDIYCMZZJSZDP-OQLLNIDSSA-N -1 0 326.352 3.969 20 0 EHADRM C[C@H]1CCC[C@H](CC(=O)N(CC(=O)[O-])Cc2ccc(F)c(F)c2)C1 ZINC000736774145 599831597 /nfs/dbraw/zinc/83/15/97/599831597.db2.gz GSKYZSPFJJVGKP-STQMWFEESA-N -1 0 339.382 3.594 20 0 EHADRM CN(C(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccccc1C(=O)[O-] ZINC000324623456 599837472 /nfs/dbraw/zinc/83/74/72/599837472.db2.gz RQBWHFSZSBILDD-UHFFFAOYSA-N -1 0 341.260 3.819 20 0 EHADRM CN(CCCC(=O)Oc1ccc(Cc2ccccc2)cc1)C(=O)[O-] ZINC000737438655 599841514 /nfs/dbraw/zinc/84/15/14/599841514.db2.gz YRQADBZEXGEBQM-UHFFFAOYSA-N -1 0 327.380 3.573 20 0 EHADRM CCN(Cc1ccoc1)c1nc(C)nc2sc(C(=O)[O-])c(C)c21 ZINC000737107503 599842271 /nfs/dbraw/zinc/84/22/71/599842271.db2.gz GCDJPRKRKRSQOC-UHFFFAOYSA-N -1 0 331.397 3.626 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)[C@H]2CCOc3ccccc32)c1 ZINC000320656443 599842592 /nfs/dbraw/zinc/84/25/92/599842592.db2.gz PVTBHMFEYWFWEX-LBPRGKRZSA-N -1 0 331.755 3.543 20 0 EHADRM COc1ccc(S[C@H](C)C(=O)Nc2cccc(F)c2C(=O)[O-])cc1 ZINC000738068975 599843413 /nfs/dbraw/zinc/84/34/13/599843413.db2.gz GQFRDTRBNLUUQK-SNVBAGLBSA-N -1 0 349.383 3.652 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000736707122 599843731 /nfs/dbraw/zinc/84/37/31/599843731.db2.gz DQGJYSPEVJQNDS-LLVKDONJSA-N -1 0 333.384 3.784 20 0 EHADRM COc1ccc(Sc2ccc(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])cc2)cc1 ZINC000362500468 599843853 /nfs/dbraw/zinc/84/38/53/599843853.db2.gz RZXICTBPIWIQFC-HOTGVXAUSA-N -1 0 343.404 3.506 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(C)cc(C)c2)cc1 ZINC000237351324 599848670 /nfs/dbraw/zinc/84/86/70/599848670.db2.gz SUTPIMOBNCYVSC-QGZVFWFLSA-N -1 0 343.448 3.971 20 0 EHADRM CCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(SC)cc2)s1 ZINC000737255540 599852374 /nfs/dbraw/zinc/85/23/74/599852374.db2.gz FUXLRZGBPASPIW-CQSZACIVSA-N -1 0 349.477 3.978 20 0 EHADRM O=C([O-])CCN(Cc1csc(-c2ccoc2)n1)Cc1ccccc1 ZINC000739723189 599856295 /nfs/dbraw/zinc/85/62/95/599856295.db2.gz IETIUXRXKJFKEF-UHFFFAOYSA-N -1 0 342.420 3.880 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)OCc1cc(-c2ccccc2)no1 ZINC000740053850 599868344 /nfs/dbraw/zinc/86/83/44/599868344.db2.gz CJWGRBZTUMPMOC-UHFFFAOYSA-N -1 0 338.319 3.789 20 0 EHADRM CCCc1c(C(=O)NC2CC(c3ccccc3)C2)[nH]c(C)c1C(=O)[O-] ZINC000737040453 599869436 /nfs/dbraw/zinc/86/94/36/599869436.db2.gz GTVWICKTQKBAAP-UHFFFAOYSA-N -1 0 340.423 3.650 20 0 EHADRM Cc1cccc(C)c1OCCOC(=O)c1ccccc1NC(=O)[O-] ZINC000738687128 599870305 /nfs/dbraw/zinc/87/03/05/599870305.db2.gz FNKMUPFLZMCBHD-UHFFFAOYSA-N -1 0 329.352 3.629 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)OCc1csc(-c2ccco2)n1 ZINC000740053827 599870485 /nfs/dbraw/zinc/87/04/85/599870485.db2.gz AVVFBGOYAWYEPD-UHFFFAOYSA-N -1 0 344.348 3.850 20 0 EHADRM O=C([O-])[C@@H](OC(=O)Cc1ccccc1C(F)(F)F)c1ccccc1 ZINC000739345793 599871277 /nfs/dbraw/zinc/87/12/77/599871277.db2.gz RBAMCRMSCVASNA-HNNXBMFYSA-N -1 0 338.281 3.617 20 0 EHADRM CCCCN(C(=O)N[C@H]1CCCN(C(=O)[O-])C1)[C@H](C)c1ccccc1 ZINC000736992099 599872011 /nfs/dbraw/zinc/87/20/11/599872011.db2.gz UYLUSYDYMLKBLT-WBVHZDCISA-N -1 0 347.459 3.702 20 0 EHADRM CCC[C@](C)(NC(=O)/C=C\c1ccccc1O[C@H](C)CC)C(=O)[O-] ZINC000736954222 599885176 /nfs/dbraw/zinc/88/51/76/599885176.db2.gz HNODRKGQEATKPI-WPPGCUNRSA-N -1 0 333.428 3.637 20 0 EHADRM CCc1ccc(C=Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)s1 ZINC000737260233 599886815 /nfs/dbraw/zinc/88/68/15/599886815.db2.gz GKVNLMALBYKRIT-SOFGYWHQSA-N -1 0 326.377 3.828 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000736373364 599888694 /nfs/dbraw/zinc/88/86/94/599888694.db2.gz BDLWZNAGSXITPB-JTQLQIEISA-N -1 0 338.713 3.590 20 0 EHADRM O=C([O-])c1ccc(C(=O)O[C@H](c2ccccc2)c2cccnc2)s1 ZINC000740121962 599890570 /nfs/dbraw/zinc/89/05/70/599890570.db2.gz WJFVNTTVDNBHQP-MRXNPFEDSA-N -1 0 339.372 3.788 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2cccc(OC3CCCC3)c2)cc1 ZINC000262310712 599891455 /nfs/dbraw/zinc/89/14/55/599891455.db2.gz SNCCDFWIXHGDOH-UHFFFAOYSA-N -1 0 339.391 3.887 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2cccc(Br)c2)c1 ZINC000740034637 599893185 /nfs/dbraw/zinc/89/31/85/599893185.db2.gz YTBJKLIAFQYLKA-UHFFFAOYSA-N -1 0 335.157 3.791 20 0 EHADRM CCOCc1cccc(NC(=O)N[C@H](CC(=O)[O-])c2ccccc2)c1 ZINC000737178139 599894157 /nfs/dbraw/zinc/89/41/57/599894157.db2.gz QFEBUYBWDKHKDM-QGZVFWFLSA-N -1 0 342.395 3.561 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1 ZINC000740030058 599894482 /nfs/dbraw/zinc/89/44/82/599894482.db2.gz VNUXXGTZVHCPSV-UHFFFAOYSA-N -1 0 328.412 3.723 20 0 EHADRM CN(C(=O)c1cccc(NC(=O)[O-])c1)c1nc2ccccc2s1 ZINC000737341844 599900055 /nfs/dbraw/zinc/90/00/55/599900055.db2.gz YWVYYXKTMDBWSC-UHFFFAOYSA-N -1 0 327.365 3.663 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000237250428 599900521 /nfs/dbraw/zinc/90/05/21/599900521.db2.gz IDBITZRPYCZZNE-TZMCWYRMSA-N -1 0 347.436 3.583 20 0 EHADRM CC(C)[C@H](CNC(=O)c1cccc(NC(=O)[O-])c1)c1ccccc1 ZINC000736357842 599903884 /nfs/dbraw/zinc/90/38/84/599903884.db2.gz BWITZXFQPCVWKY-KRWDZBQOSA-N -1 0 326.396 3.946 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N[C@@H]2CCSc3ccccc32)c1 ZINC000740028969 599904992 /nfs/dbraw/zinc/90/49/92/599904992.db2.gz MDMMSDMUMQECTL-CQSZACIVSA-N -1 0 328.393 3.743 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(C)(C)c1ccc(F)cc1 ZINC000237749498 599907275 /nfs/dbraw/zinc/90/72/75/599907275.db2.gz YIADSNZPJUUFSR-UHFFFAOYSA-N -1 0 345.370 3.514 20 0 EHADRM O=C([O-])c1cnc(/C=C\c2cccc(OCC(F)(F)F)c2)s1 ZINC000523956219 599907954 /nfs/dbraw/zinc/90/79/54/599907954.db2.gz DYUFNFOJMJMWCM-PLNGDYQASA-N -1 0 329.299 3.953 20 0 EHADRM Cn1c(SCc2c3ccccc3sc2C(=O)[O-])nnc1C1CC1 ZINC000739014636 599908735 /nfs/dbraw/zinc/90/87/35/599908735.db2.gz PTPMHELVKXHATK-UHFFFAOYSA-N -1 0 345.449 3.898 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N[C@@H]2CCc3c2cccc3Cl)c1 ZINC000740030430 599909775 /nfs/dbraw/zinc/90/97/75/599909775.db2.gz XXGXIFMAKVHOAU-OAHLLOKOSA-N -1 0 330.771 3.847 20 0 EHADRM CC(C)c1ccc(NC(=O)c2cc3c(s2)CCOC3)c(C(=O)[O-])c1 ZINC000736516014 599910375 /nfs/dbraw/zinc/91/03/75/599910375.db2.gz YWDPEQJOIRZTOX-UHFFFAOYSA-N -1 0 345.420 3.895 20 0 EHADRM C[C@H](OC(=O)c1ccc(Br)o1)c1ccc(C(=O)[O-])cc1 ZINC000738227933 599912733 /nfs/dbraw/zinc/91/27/33/599912733.db2.gz JBYSRKWEFGUUQX-QMMMGPOBSA-N -1 0 339.141 3.658 20 0 EHADRM Cc1ccc(OC(=O)Cc2ccccc2C(F)(F)F)c(C(=O)[O-])c1 ZINC000738637463 599913897 /nfs/dbraw/zinc/91/38/97/599913897.db2.gz DNZOOCHBKJIKCZ-UHFFFAOYSA-N -1 0 338.281 3.860 20 0 EHADRM Cc1cc(NC(=O)c2ccc(NC(=O)C(C)C)cc2)ccc1C(=O)[O-] ZINC000236811368 599915956 /nfs/dbraw/zinc/91/59/56/599915956.db2.gz JVVGBMJRWFCLMC-UHFFFAOYSA-N -1 0 340.379 3.540 20 0 EHADRM CCS[C@@H](C(=O)Nc1cccc(CSCC(=O)[O-])c1)C(C)C ZINC000262363353 599919963 /nfs/dbraw/zinc/91/99/63/599919963.db2.gz DMVAHHPDWKFGET-OAHLLOKOSA-N -1 0 341.498 3.721 20 0 EHADRM C[C@H](CN(C(=O)[C@H](C)Sc1ccc(Cl)cc1)C1CC1)C(=O)[O-] ZINC000237614821 599920835 /nfs/dbraw/zinc/92/08/35/599920835.db2.gz SQTHCWVMHJXPJD-MNOVXSKESA-N -1 0 341.860 3.532 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)c2ccc(Cl)o2)c1 ZINC000238075078 599922497 /nfs/dbraw/zinc/92/24/97/599922497.db2.gz KKNQYJABFPTVPI-UHFFFAOYSA-N -1 0 325.773 3.503 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000738194451 599925572 /nfs/dbraw/zinc/92/55/72/599925572.db2.gz AGLSRDVIUFKAOC-LLVKDONJSA-N -1 0 347.436 3.621 20 0 EHADRM C[C@@H](NC(=S)N[C@@H](CCC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000736660677 599926729 /nfs/dbraw/zinc/92/67/29/599926729.db2.gz NVWKVSLQNXITRH-PBHICJAKSA-N -1 0 342.464 3.818 20 0 EHADRM CC(C)Oc1ccccc1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000736494497 599928814 /nfs/dbraw/zinc/92/88/14/599928814.db2.gz LHAIJYFMPSAIBN-UHFFFAOYSA-N -1 0 343.379 3.580 20 0 EHADRM C[C@@H](CN(C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1)C1CC1)C(=O)[O-] ZINC000262204824 599930407 /nfs/dbraw/zinc/93/04/07/599930407.db2.gz PBXPVRGRMWCCFH-LBPRGKRZSA-N -1 0 342.439 3.791 20 0 EHADRM CC(C)(C)Sc1ccc(NC(=O)c2cccc(C(=O)[O-])n2)cc1 ZINC000736288757 599932006 /nfs/dbraw/zinc/93/20/06/599932006.db2.gz ZBRDPSGHMGUOOC-UHFFFAOYSA-N -1 0 330.409 3.923 20 0 EHADRM Cc1ccc(C)n1C1CCN(C(=O)c2cccc(NC(=O)[O-])c2)CC1 ZINC000738579647 599934827 /nfs/dbraw/zinc/93/48/27/599934827.db2.gz RUWWMZMPZUAGOI-UHFFFAOYSA-N -1 0 341.411 3.672 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)c1cc2ccsc2[nH]1)c1ccccc1 ZINC000739662449 599953121 /nfs/dbraw/zinc/95/31/21/599953121.db2.gz HBZPEKCUDPMLKN-CYBMUJFWSA-N -1 0 328.393 3.565 20 0 EHADRM Cc1cc(NCC(=O)Nc2cccc(Cl)c2C)ccc1C(=O)[O-] ZINC000738458103 599962789 /nfs/dbraw/zinc/96/27/89/599962789.db2.gz DQEQEGHGKSBIBB-UHFFFAOYSA-N -1 0 332.787 3.706 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)Nc2cccc(F)c2)c1 ZINC000739870217 599987859 /nfs/dbraw/zinc/98/78/59/599987859.db2.gz ABNCTRPWUCVFPL-UHFFFAOYSA-N -1 0 334.372 3.788 20 0 EHADRM C[C@H](OC(=O)Cc1coc(-c2cccs2)n1)c1ccc(C(=O)[O-])o1 ZINC000736694472 599991809 /nfs/dbraw/zinc/99/18/09/599991809.db2.gz VNNRDMAIQGSQGC-VIFPVBQESA-N -1 0 347.348 3.541 20 0 EHADRM C[C@@H](NC(=O)N1CCC(CC(=O)[O-])CC1)c1csc2ccccc21 ZINC000736643458 599996881 /nfs/dbraw/zinc/99/68/81/599996881.db2.gz WMOYMRBNHJSOKU-GFCCVEGCSA-N -1 0 346.452 3.859 20 0 EHADRM O=C([O-])c1ccoc1COC(=O)[C@@H](OC1CCCC1)c1ccccc1 ZINC000740253713 599999294 /nfs/dbraw/zinc/99/92/94/599999294.db2.gz SOIVFMIZKPSQRW-KRWDZBQOSA-N -1 0 344.363 3.722 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)OCc1cc(C(=O)[O-])oc1C ZINC000738119431 600001933 /nfs/dbraw/zinc/00/19/33/600001933.db2.gz HMUGVZKELGYEIR-NSHDSACASA-N -1 0 332.352 3.532 20 0 EHADRM COc1ccccc1C(C)(C)NC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000738119438 600008712 /nfs/dbraw/zinc/00/87/12/600008712.db2.gz GOYXSKJNWLCCGH-UHFFFAOYSA-N -1 0 343.383 3.842 20 0 EHADRM Cc1cccc(C[C@H](CNC(=O)Nc2ccccc2Cl)C(=O)[O-])c1 ZINC000738708976 600009749 /nfs/dbraw/zinc/00/97/49/600009749.db2.gz SALKUKLULYLQSQ-CQSZACIVSA-N -1 0 346.814 3.713 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)C1 ZINC000739592853 600011610 /nfs/dbraw/zinc/01/16/10/600011610.db2.gz FABKLBHUSUALRT-LBPRGKRZSA-N -1 0 346.333 3.570 20 0 EHADRM CC(C)[C@@H](NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000736359585 600013798 /nfs/dbraw/zinc/01/37/98/600013798.db2.gz HTJCKRQTZPAPKR-GOSISDBHSA-N -1 0 338.407 3.807 20 0 EHADRM Cc1ccc(CN(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)C2CC2)o1 ZINC000738592780 600016232 /nfs/dbraw/zinc/01/62/32/600016232.db2.gz PMJRUFRUVHVODC-UHFFFAOYSA-N -1 0 328.368 3.791 20 0 EHADRM C[C@H](NC(=O)NC1CCC(C(=O)[O-])CC1)c1ccc(C(C)(C)C)cc1 ZINC000263010750 600017967 /nfs/dbraw/zinc/01/79/67/600017967.db2.gz NPXCZVPGJMCRQQ-KTAKPFMOSA-N -1 0 346.471 3.988 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263074291 600017974 /nfs/dbraw/zinc/01/79/74/600017974.db2.gz UDGKWBWDECPTNR-HSBZDZAISA-N -1 0 344.411 3.745 20 0 EHADRM C[C@@H]1CCC[C@H](NC(=O)Nc2cccc(CSCC(=O)[O-])c2)C1 ZINC000736774841 600018364 /nfs/dbraw/zinc/01/83/64/600018364.db2.gz JCZDFGRQOBXGPI-OCCSQVGLSA-N -1 0 336.457 3.705 20 0 EHADRM Cc1cccc(C[C@@H](CNC(=O)Nc2ccc(F)cc2C)C(=O)[O-])c1 ZINC000738707013 600024739 /nfs/dbraw/zinc/02/47/39/600024739.db2.gz AUTUCIKKXBHPQA-HNNXBMFYSA-N -1 0 344.386 3.508 20 0 EHADRM CCc1cccc(NC(=O)NC[C@@H](Cc2cccc(C)c2)C(=O)[O-])c1 ZINC000737269457 600025244 /nfs/dbraw/zinc/02/52/44/600025244.db2.gz FWJGDFLRPGUFIT-QGZVFWFLSA-N -1 0 340.423 3.622 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N(Cc2ccc(F)cc2F)C2CC2)c1 ZINC000740229119 600029778 /nfs/dbraw/zinc/02/97/78/600029778.db2.gz XGXJOYUDBPDJNK-UHFFFAOYSA-N -1 0 346.333 3.860 20 0 EHADRM COc1ccc(Cl)cc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237121122 600033001 /nfs/dbraw/zinc/03/30/01/600033001.db2.gz DPYBUFGMSSACNX-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM CCN(C)c1ccccc1CNC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000737067445 600033162 /nfs/dbraw/zinc/03/31/62/600033162.db2.gz AYMMKIAYDVUYGA-UHFFFAOYSA-N -1 0 342.399 3.554 20 0 EHADRM Cc1cccc(C)c1NC(=S)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000738687961 600033839 /nfs/dbraw/zinc/03/38/39/600033839.db2.gz HEZUTQDTHRFVLC-UHFFFAOYSA-N -1 0 326.421 3.714 20 0 EHADRM Cc1ccc(SCCNC(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000237772117 600034857 /nfs/dbraw/zinc/03/48/57/600034857.db2.gz BSKBZXAAJTURSL-UHFFFAOYSA-N -1 0 343.448 3.534 20 0 EHADRM CC(C)COc1ccc(CC(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000262274871 600036943 /nfs/dbraw/zinc/03/69/43/600036943.db2.gz JHVRMDCKXVKFHE-UHFFFAOYSA-N -1 0 341.407 3.530 20 0 EHADRM O=C([O-])c1cc(Br)ccc1OC(=O)CC1=CCCCC1 ZINC000739218793 600038996 /nfs/dbraw/zinc/03/89/96/600038996.db2.gz OCYRYTCRCHLEQO-UHFFFAOYSA-N -1 0 339.185 3.943 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N(C2CC2)[C@H]2CCc3ccccc32)cc1 ZINC000238028206 600040032 /nfs/dbraw/zinc/04/00/32/600040032.db2.gz QEVRVJWASINETN-FQEVSTJZSA-N -1 0 349.430 3.996 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)NCCCc2cccc(Cl)c2)cc1 ZINC000678990858 600042140 /nfs/dbraw/zinc/04/21/40/600042140.db2.gz PPQIJTBUCXFTNE-UHFFFAOYSA-N -1 0 345.826 3.720 20 0 EHADRM CC(C)Cc1ccc(CC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000736453672 600045706 /nfs/dbraw/zinc/04/57/06/600045706.db2.gz MRZGCVSVAHZZEG-UHFFFAOYSA-N -1 0 337.419 3.668 20 0 EHADRM Cc1ccccc1C1(C(=O)NC2CCC(C(=O)[O-])CC2)CCCCC1 ZINC000262475891 600051524 /nfs/dbraw/zinc/05/15/24/600051524.db2.gz BZRSAJZWASDPBK-UHFFFAOYSA-N -1 0 343.467 3.957 20 0 EHADRM C[C@@H]1CCCC[C@@H]1NC(=S)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736786181 600056977 /nfs/dbraw/zinc/05/69/77/600056977.db2.gz SZAQTECMEAMMQV-SKDRFNHKSA-N -1 0 325.409 3.781 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CSc1nnc(Cc2cccs2)o1 ZINC000738965743 600056627 /nfs/dbraw/zinc/05/66/27/600056627.db2.gz KLYBIRVZCLHAEH-UHFFFAOYSA-N -1 0 336.394 3.614 20 0 EHADRM O=C([O-])c1occc1CSc1cc2c(cc1Cl)OCCO2 ZINC000740278606 600056782 /nfs/dbraw/zinc/05/67/82/600056782.db2.gz IKYCXFYPSHYLQD-UHFFFAOYSA-N -1 0 326.757 3.695 20 0 EHADRM CC(=O)c1ccc(NC(=S)Nc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000736193627 600056969 /nfs/dbraw/zinc/05/69/69/600056969.db2.gz XCHJOIBWCCMABW-UHFFFAOYSA-N -1 0 347.371 3.927 20 0 EHADRM CC(C)(C(=O)Oc1ccc(CC(=O)[O-])cc1)c1ccccc1Cl ZINC000736231912 600060454 /nfs/dbraw/zinc/06/04/54/600060454.db2.gz KVTGNDFJIDUERW-UHFFFAOYSA-N -1 0 332.783 3.850 20 0 EHADRM CCSc1ccc([C@@H](C)NC(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000236938315 600063518 /nfs/dbraw/zinc/06/35/18/600063518.db2.gz SKQGEGMAOBTGKU-GFCCVEGCSA-N -1 0 329.421 3.988 20 0 EHADRM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1ccccc1Oc1ccccc1Cl ZINC000485664765 600063520 /nfs/dbraw/zinc/06/35/20/600063520.db2.gz CWENJCLSLAULSB-MNOVXSKESA-N -1 0 331.755 3.792 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000485631835 600063867 /nfs/dbraw/zinc/06/38/67/600063867.db2.gz BTGJSXLZGPAMLG-CHWSQXEVSA-N -1 0 331.755 3.792 20 0 EHADRM Cc1ccc(O)c(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)c1 ZINC000738635918 600068261 /nfs/dbraw/zinc/06/82/61/600068261.db2.gz IDNPJEKNPSZYPR-UHFFFAOYSA-N -1 0 345.420 3.661 20 0 EHADRM CC[C@@H](C(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)[O-])c1ccccc1 ZINC000236968373 600069356 /nfs/dbraw/zinc/06/93/56/600069356.db2.gz AWLGJKCEEZLSTN-RTBURBONSA-N -1 0 339.435 3.548 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000738121974 600073681 /nfs/dbraw/zinc/07/36/81/600073681.db2.gz UWLCPUDTGPALLO-QBFSEMIESA-N -1 0 325.364 3.744 20 0 EHADRM COC(=O)c1cc(C(C)C)ccc1NC(=O)c1ccc(C(=O)[O-])s1 ZINC000737654643 600075025 /nfs/dbraw/zinc/07/50/25/600075025.db2.gz QYTWQPNWXILVHL-UHFFFAOYSA-N -1 0 347.392 3.609 20 0 EHADRM O=C([O-])c1sc(N[C@@H]2CCOc3ccc(F)cc32)nc1Cl ZINC000740278471 600075428 /nfs/dbraw/zinc/07/54/28/600075428.db2.gz GPOBDJOKJFPNSS-MRVPVSSYSA-N -1 0 328.752 3.570 20 0 EHADRM Cc1cc(Sc2ccccc2)ccc1NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000738482977 600076850 /nfs/dbraw/zinc/07/68/50/600076850.db2.gz SXZXWBJFPHSKRS-HUUCEWRRSA-N -1 0 327.405 3.805 20 0 EHADRM CCc1nc(COc2ccc(Br)cc2C(=O)[O-])cs1 ZINC000042337162 600081078 /nfs/dbraw/zinc/08/10/78/600081078.db2.gz GRIOCJPPTBXORN-UHFFFAOYSA-N -1 0 342.214 3.745 20 0 EHADRM CC(C)COc1ccccc1CN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736448085 600084916 /nfs/dbraw/zinc/08/49/16/600084916.db2.gz GSOUFDWYMFTLNY-UHFFFAOYSA-N -1 0 325.408 3.935 20 0 EHADRM Cc1ncc(CS[C@@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)s1 ZINC000738885898 600084996 /nfs/dbraw/zinc/08/49/96/600084996.db2.gz YITNGOAUCUROGH-VIFPVBQESA-N -1 0 338.454 3.599 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)OCCOc2ccccc2Cl)cc1 ZINC000739261563 600092920 /nfs/dbraw/zinc/09/29/20/600092920.db2.gz VEYWZLDFFIVGLQ-UHFFFAOYSA-N -1 0 348.782 3.593 20 0 EHADRM CCCOc1ccccc1NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000737034815 600112365 /nfs/dbraw/zinc/11/23/65/600112365.db2.gz QCYQCHFCRBNVEC-UHFFFAOYSA-N -1 0 340.379 3.721 20 0 EHADRM O=C([O-])C1CCC(NC(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000261915466 600113163 /nfs/dbraw/zinc/11/31/63/600113163.db2.gz QSPDELDUAPIGBX-UHFFFAOYSA-N -1 0 348.296 3.609 20 0 EHADRM CCOc1cc(C)ccc1NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000737193679 600113746 /nfs/dbraw/zinc/11/37/46/600113746.db2.gz VCUHWHVEMYZXOU-UHFFFAOYSA-N -1 0 340.379 3.640 20 0 EHADRM O=C([O-])c1ccc(-c2noc(CCc3c[nH]c4ccccc34)n2)cc1 ZINC000740101273 600114051 /nfs/dbraw/zinc/11/40/51/600114051.db2.gz DJLDTXDQJRFGFP-UHFFFAOYSA-N -1 0 333.347 3.701 20 0 EHADRM COc1cccc([C@H]2C[C@@H]2c2nc(-c3ccc(C(=O)[O-])cc3)no2)c1 ZINC000738095999 600114792 /nfs/dbraw/zinc/11/47/92/600114792.db2.gz LMSMCYKXRGEQBB-CVEARBPZSA-N -1 0 336.347 3.715 20 0 EHADRM COc1ccc(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)c(Cl)c1 ZINC000737912576 600114870 /nfs/dbraw/zinc/11/48/70/600114870.db2.gz SPPLNYIPAZNZFU-UHFFFAOYSA-N -1 0 330.727 3.764 20 0 EHADRM COc1ccccc1[C@@H](C)Cc1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000738121010 600114935 /nfs/dbraw/zinc/11/49/35/600114935.db2.gz OPUOZEXPIVUJTR-LBPRGKRZSA-N -1 0 338.363 3.790 20 0 EHADRM Cc1ccc2c(CC(=O)OCc3ccc(F)cc3C(=O)[O-])c[nH]c2c1 ZINC000738666041 600116631 /nfs/dbraw/zinc/11/66/31/600116631.db2.gz QSAJKNKGSXBPQD-UHFFFAOYSA-N -1 0 341.338 3.600 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000738118738 600117393 /nfs/dbraw/zinc/11/73/93/600117393.db2.gz CWKMLXVHXUBMOV-FMIVXFBMSA-N -1 0 344.338 3.679 20 0 EHADRM COc1cccc([C@@H]2C[C@@H]2C(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)c1 ZINC000738097752 600122216 /nfs/dbraw/zinc/12/22/16/600122216.db2.gz WRPSKVUTKUSNLJ-IGNZVWTISA-N -1 0 340.375 3.801 20 0 EHADRM CSc1cccc(NC(=O)CNc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000738214092 600127344 /nfs/dbraw/zinc/12/73/44/600127344.db2.gz KHFARGWSUPHQKY-UHFFFAOYSA-N -1 0 349.387 3.688 20 0 EHADRM O=C([O-])Nc1cc(NCC(=O)Nc2ccc(Cl)cc2)ccc1F ZINC000740011502 600127710 /nfs/dbraw/zinc/12/77/10/600127710.db2.gz DSLOIMGHWFAWSG-UHFFFAOYSA-N -1 0 337.738 3.620 20 0 EHADRM CC[C@](NC(=O)c1cc2cc(C)ccc2o1)(C(=O)[O-])c1ccccc1 ZINC000485370263 600128075 /nfs/dbraw/zinc/12/80/75/600128075.db2.gz MAPIRSPUIDQAEZ-HXUWFJFHSA-N -1 0 337.375 3.861 20 0 EHADRM CC[C@](NC(=O)c1oc2ccccc2c1C)(C(=O)[O-])c1ccccc1 ZINC000485387864 600133038 /nfs/dbraw/zinc/13/30/38/600133038.db2.gz VAHUDHDOVUVNEG-HXUWFJFHSA-N -1 0 337.375 3.861 20 0 EHADRM CC[C@@](NC(=O)c1ccc(OC(C)C)cc1)(C(=O)[O-])c1ccccc1 ZINC000675984124 600134162 /nfs/dbraw/zinc/13/41/62/600134162.db2.gz SZPCBKCOABWXRR-FQEVSTJZSA-N -1 0 341.407 3.594 20 0 EHADRM Cc1cc(OCc2c(C(=O)[O-])sc3cccc(F)c32)nnc1C ZINC000738241177 600139936 /nfs/dbraw/zinc/13/99/36/600139936.db2.gz UZZVZAVDICBKCM-UHFFFAOYSA-N -1 0 332.356 3.724 20 0 EHADRM O=C([O-])CCc1ccc(Nc2ncnc3sc4c(c32)CCC4)cc1 ZINC000739765331 600162367 /nfs/dbraw/zinc/16/23/67/600162367.db2.gz CDMBFQYGZWOQRE-UHFFFAOYSA-N -1 0 339.420 3.941 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2csc(-c3ccccc3)n2)c(F)c1 ZINC000479595220 600167426 /nfs/dbraw/zinc/16/74/26/600167426.db2.gz RRLFTGBXEUQUSY-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CSc2ccc(F)c(F)c2)c(F)c1 ZINC000320841308 600167549 /nfs/dbraw/zinc/16/75/49/600167549.db2.gz GCKNUIOVOWDJKH-UHFFFAOYSA-N -1 0 341.310 3.533 20 0 EHADRM CCc1cccc(C)c1NC(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000737266705 600176245 /nfs/dbraw/zinc/17/62/45/600176245.db2.gz HLKIROOJWMHIDI-QGZVFWFLSA-N -1 0 340.423 3.856 20 0 EHADRM CCCc1ccccc1NC(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC000737051018 600177188 /nfs/dbraw/zinc/17/71/88/600177188.db2.gz PEXCYOIWXJQNOR-KRWDZBQOSA-N -1 0 340.423 3.937 20 0 EHADRM Cc1cc(C)cc([C@H](C)NC(=O)Nc2cccc(OCC(=O)[O-])c2)c1 ZINC000738220660 600177511 /nfs/dbraw/zinc/17/75/11/600177511.db2.gz DKOGGHQJIMSEIN-AWEZNQCLSA-N -1 0 342.395 3.650 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCSC[C@H]2c2ccccc2)cc1 ZINC000738683645 600180466 /nfs/dbraw/zinc/18/04/66/600180466.db2.gz QIAATYPALLDWEX-INIZCTEOSA-N -1 0 342.420 3.707 20 0 EHADRM O=C([O-])CCCc1nc(CSc2ccc3ccccc3c2)no1 ZINC000739701988 600182783 /nfs/dbraw/zinc/18/27/83/600182783.db2.gz IEZNHNNFKFVJMW-UHFFFAOYSA-N -1 0 328.393 3.922 20 0 EHADRM C[C@@H](SCc1noc(CCCC(=O)[O-])n1)c1c(F)cccc1F ZINC000736713367 600187277 /nfs/dbraw/zinc/18/72/77/600187277.db2.gz TYPRLAPAEOGSRT-SECBINFHSA-N -1 0 342.367 3.750 20 0 EHADRM C[C@H](SCc1noc(CCCC(=O)[O-])n1)c1c(F)cccc1F ZINC000736713370 600187352 /nfs/dbraw/zinc/18/73/52/600187352.db2.gz TYPRLAPAEOGSRT-VIFPVBQESA-N -1 0 342.367 3.750 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(Br)cs2)c(F)c1 ZINC000343116879 600200795 /nfs/dbraw/zinc/20/07/95/600200795.db2.gz JQDDUZOVFOBDQY-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2(c3ccccc3)CCCC2)c(F)c1 ZINC000392143197 600200876 /nfs/dbraw/zinc/20/08/76/600200876.db2.gz GHBSLGSEXMYDOQ-UHFFFAOYSA-N -1 0 327.355 3.974 20 0 EHADRM C/C(=C/C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1)c1cccc(F)c1 ZINC000736119771 600202466 /nfs/dbraw/zinc/20/24/66/600202466.db2.gz BXPNOXVKBKOWAB-FFWXCITRSA-N -1 0 341.382 3.951 20 0 EHADRM Cc1ccsc1[C@H]1NC(=O)N(Cc2cccs2)C(C)=C1C(=O)[O-] ZINC000736749117 600205957 /nfs/dbraw/zinc/20/59/57/600205957.db2.gz XHNUKFFJURSUCT-ZDUSSCGKSA-N -1 0 348.449 3.743 20 0 EHADRM C[C@H](CC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1cccc(F)c1 ZINC000237498714 600206683 /nfs/dbraw/zinc/20/66/83/600206683.db2.gz IOSHBFPKKOIRFT-CYBMUJFWSA-N -1 0 329.371 3.676 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000237301923 600206750 /nfs/dbraw/zinc/20/67/50/600206750.db2.gz NXTINFYBNHZJLI-AWEZNQCLSA-N -1 0 327.380 3.591 20 0 EHADRM O=C([O-])c1ccc(NC(=O)/C=C/c2ccccc2)c(OC(F)F)c1 ZINC000739213903 600214168 /nfs/dbraw/zinc/21/41/68/600214168.db2.gz AIBOCMABEUWLIG-RMKNXTFCSA-N -1 0 333.290 3.638 20 0 EHADRM O=C([O-])c1sc(N[C@H]2C[C@@H]2c2c(F)cccc2F)nc1Cl ZINC000740278074 600215505 /nfs/dbraw/zinc/21/55/05/600215505.db2.gz BAWGULRKGGHSQZ-XNCJUZBTSA-N -1 0 330.743 3.741 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)N3C[C@@H](C(=O)[O-])c4ccccc43)cc2C1 ZINC000177480648 600220502 /nfs/dbraw/zinc/22/05/02/600220502.db2.gz SUPKDNDLPWGLDA-BXUZGUMPSA-N -1 0 341.432 3.702 20 0 EHADRM CCCc1cc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)sc1C ZINC000261808214 600220647 /nfs/dbraw/zinc/22/06/47/600220647.db2.gz VMQHMEVMVIVKKG-CQSZACIVSA-N -1 0 329.421 3.838 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)Nc2cc3c(cc2Cl)OCO3)c1 ZINC000740041987 600227243 /nfs/dbraw/zinc/22/72/43/600227243.db2.gz CJNSADDXAAIPDG-UHFFFAOYSA-N -1 0 349.730 3.803 20 0 EHADRM CN1CCCc2cc(NC(=O)Nc3cccc(NC(=O)[O-])c3)ccc21 ZINC000737518085 600232204 /nfs/dbraw/zinc/23/22/04/600232204.db2.gz NGJYHKMWYWBOJE-UHFFFAOYSA-N -1 0 340.383 3.803 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@H]2C(=O)[O-])sc1-c1ccc(F)cc1 ZINC000237696502 600236799 /nfs/dbraw/zinc/23/67/99/600236799.db2.gz YQHDHNCMYLVVSZ-ZDUSSCGKSA-N -1 0 333.384 3.552 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(CCC(=O)[O-])cc2)o1 ZINC000738581124 600242322 /nfs/dbraw/zinc/24/23/22/600242322.db2.gz BTYQOWHSXOWNMY-INIZCTEOSA-N -1 0 342.395 3.974 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)C[C@@H](C)c1cccc(F)c1 ZINC000736187710 600245004 /nfs/dbraw/zinc/24/50/04/600245004.db2.gz YNNFQLBXEXBXIF-LLVKDONJSA-N -1 0 344.338 3.826 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCc1cc(Cl)cs1)c1ccccc1 ZINC000262449484 600246534 /nfs/dbraw/zinc/24/65/34/600246534.db2.gz PDMXRBMCIQJYDP-CQSZACIVSA-N -1 0 337.828 3.666 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCc1cc(Cl)cs1 ZINC000262490225 600247297 /nfs/dbraw/zinc/24/72/97/600247297.db2.gz ZGATWQFIKADYHR-GDLCADMTSA-N -1 0 341.860 3.578 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1ccc(Cl)c(Cl)c1 ZINC000738089348 600247935 /nfs/dbraw/zinc/24/79/35/600247935.db2.gz MZNTUJUMEHMZJV-UHFFFAOYSA-N -1 0 341.146 3.919 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)Oc2c(OC)cccc2C(=O)[O-])cc1 ZINC000737258170 600250657 /nfs/dbraw/zinc/25/06/57/600250657.db2.gz YWOUBELKXQMQHN-GFCCVEGCSA-N -1 0 328.364 3.665 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1cccc(CSC2CCCCC2)c1 ZINC000439809549 600251719 /nfs/dbraw/zinc/25/17/19/600251719.db2.gz OWNUODYWFYFQEQ-JKSUJKDBSA-N -1 0 333.453 3.912 20 0 EHADRM CCc1[nH]c(C(=O)N2CCCCC[C@H]2c2ccco2)c(C)c1C(=O)[O-] ZINC000737241309 600253270 /nfs/dbraw/zinc/25/32/70/600253270.db2.gz LSABXIVJJAZHSC-AWEZNQCLSA-N -1 0 344.411 3.934 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000237311719 600253332 /nfs/dbraw/zinc/25/33/32/600253332.db2.gz YBTJXUVDVUZYSO-LBPRGKRZSA-N -1 0 331.799 3.741 20 0 EHADRM Cc1cc(F)cc2[nH]c(C(=O)Nc3ccc(N(C)C(=O)[O-])cc3)cc21 ZINC000738229325 600256256 /nfs/dbraw/zinc/25/62/56/600256256.db2.gz KKCVRXZXTGDKNX-UHFFFAOYSA-N -1 0 341.342 3.982 20 0 EHADRM CCO[C@@H](C)c1nc(COc2ccc(C(=O)[O-])cc2OC)cs1 ZINC000737158438 600260156 /nfs/dbraw/zinc/26/01/56/600260156.db2.gz RIUZKCALWQDHIO-JTQLQIEISA-N -1 0 337.397 3.526 20 0 EHADRM CCO[C@@H](C)c1noc(CNc2ccc(C(C)C)cc2C(=O)[O-])n1 ZINC000737159720 600261158 /nfs/dbraw/zinc/26/11/58/600261158.db2.gz XXFBQZSGRXUWFX-NSHDSACASA-N -1 0 333.388 3.601 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(C(=O)c1cc3c(s1)CCCCCC3)CC2 ZINC000262460167 600272031 /nfs/dbraw/zinc/27/20/31/600272031.db2.gz QOKKLRCVTXAEIJ-AWEZNQCLSA-N -1 0 347.480 3.734 20 0 EHADRM C[C@@H](CCC(C)(C)C)NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000386156477 600275143 /nfs/dbraw/zinc/27/51/43/600275143.db2.gz VDUDXCPYUHOBIN-VIFPVBQESA-N -1 0 328.359 3.999 20 0 EHADRM Cc1nc(C(C)(C)NC(=O)Nc2ccc(C(=O)[O-])cc2)sc1C ZINC000738348644 600275582 /nfs/dbraw/zinc/27/55/82/600275582.db2.gz GOOPYFRYODBICS-UHFFFAOYSA-N -1 0 333.413 3.515 20 0 EHADRM Cc1ccccc1C(=O)CSc1nc2ccc(C(=O)[O-])cc2o1 ZINC000738755478 600275912 /nfs/dbraw/zinc/27/59/12/600275912.db2.gz UEKJZSFYZPDXGS-UHFFFAOYSA-N -1 0 327.361 3.809 20 0 EHADRM COc1ccccc1OCCSc1nc2ccc(C(=O)[O-])cc2o1 ZINC000738135381 600275948 /nfs/dbraw/zinc/27/59/48/600275948.db2.gz DHMVNOVGQQYXDL-UHFFFAOYSA-N -1 0 345.376 3.706 20 0 EHADRM COC(=O)c1cccc(CSc2nc3ccc(C(=O)[O-])cc3o2)c1 ZINC000737706846 600277633 /nfs/dbraw/zinc/27/76/33/600277633.db2.gz CFGPWDFDTHEXAO-UHFFFAOYSA-N -1 0 343.360 3.605 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2[nH]c3ccccc3c2Cl)c2ccccc21 ZINC000439695449 600277824 /nfs/dbraw/zinc/27/78/24/600277824.db2.gz FGZWHUUTQZHHQX-LBPRGKRZSA-N -1 0 340.766 3.650 20 0 EHADRM COC(=O)c1ccc2nc(S[C@@H](C)c3ccc(C(=O)[O-])o3)oc2c1 ZINC000737710097 600278370 /nfs/dbraw/zinc/27/83/70/600278370.db2.gz WLTGZTZFDDOXSK-QMMMGPOBSA-N -1 0 347.348 3.759 20 0 EHADRM CN(Cc1ccc(NC(=S)Nc2ccccc2F)cc1)C(=O)[O-] ZINC000737485800 600279313 /nfs/dbraw/zinc/27/93/13/600279313.db2.gz GMIXXPGNQPKGKK-UHFFFAOYSA-N -1 0 333.388 3.744 20 0 EHADRM O=C([O-])NCc1ccc(NC(=S)Nc2ccc(F)cc2F)cc1 ZINC000739992601 600280836 /nfs/dbraw/zinc/28/08/36/600280836.db2.gz QXNLHGZXJXWTCN-UHFFFAOYSA-N -1 0 337.351 3.541 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)c1ccccc1 ZINC000736548324 600282246 /nfs/dbraw/zinc/28/22/46/600282246.db2.gz KKDUDJCMFSBAMO-CQSZACIVSA-N -1 0 326.396 3.929 20 0 EHADRM CN(Cc1ccc(NC(=O)C(C)(C)c2ccccc2)cc1)C(=O)[O-] ZINC000737476996 600282276 /nfs/dbraw/zinc/28/22/76/600282276.db2.gz DWJPBWNAYNIUGL-UHFFFAOYSA-N -1 0 326.396 3.713 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N2CCc3ccccc3C2)c1 ZINC000322841833 600283250 /nfs/dbraw/zinc/28/32/50/600283250.db2.gz KLDPVOQOTBFMJE-UHFFFAOYSA-N -1 0 330.771 3.628 20 0 EHADRM CCSc1cc(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)ccn1 ZINC000737231541 600286805 /nfs/dbraw/zinc/28/68/05/600286805.db2.gz OZBXBGSJYGLNLM-UHFFFAOYSA-N -1 0 345.424 3.556 20 0 EHADRM CN(Cc1ccc(NC(=O)c2cncc3ccccc32)cc1)C(=O)[O-] ZINC000737485574 600288156 /nfs/dbraw/zinc/28/81/56/600288156.db2.gz VGPNYXYMHBYDEW-UHFFFAOYSA-N -1 0 335.363 3.597 20 0 EHADRM O=C([O-])[C@@H]1CN(Cc2csc(C3CCCC3)n2)c2ccccc2O1 ZINC000739616111 600288468 /nfs/dbraw/zinc/28/84/68/600288468.db2.gz KJMHSXJELMUXBF-INIZCTEOSA-N -1 0 344.436 3.653 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)/C=C/c2ccc3ccccc3n2)cc1 ZINC000739986084 600290035 /nfs/dbraw/zinc/29/00/35/600290035.db2.gz MBZCCTLNUCUAFR-VAWYXSNFSA-N -1 0 347.374 3.654 20 0 EHADRM CC(C)Cc1ccc(C(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000736452707 600291493 /nfs/dbraw/zinc/29/14/93/600291493.db2.gz DLRLFTQDXHELQC-UHFFFAOYSA-N -1 0 326.396 3.905 20 0 EHADRM O=C([O-])[C@H]1CC12CCN(C(=O)Nc1ccc(Cl)c(Cl)c1)CC2 ZINC000405493907 600316124 /nfs/dbraw/zinc/31/61/24/600316124.db2.gz PNKIJXCDKOWXCN-SNVBAGLBSA-N -1 0 343.210 3.712 20 0 EHADRM CCc1ccc(OCC(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000737268230 600319992 /nfs/dbraw/zinc/31/99/92/600319992.db2.gz WUZUDRGGMWANEI-KRWDZBQOSA-N -1 0 348.782 3.650 20 0 EHADRM O=C([O-])[C@H](OC(=O)Cc1c[nH]c2ccccc12)c1cccc(Cl)c1 ZINC000739338645 600320844 /nfs/dbraw/zinc/32/08/44/600320844.db2.gz LWIFCRFAUZSUBY-QGZVFWFLSA-N -1 0 343.766 3.733 20 0 EHADRM Cc1ccc(O[C@H](C)C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000738639386 600324563 /nfs/dbraw/zinc/32/45/63/600324563.db2.gz QUOMRJHFOKSOBN-WBMJQRKESA-N -1 0 348.782 3.785 20 0 EHADRM C[C@H](Nc1ccc(CNC(=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1 ZINC000736671324 600327707 /nfs/dbraw/zinc/32/77/07/600327707.db2.gz KSJIGXYFVZWOII-NSHDSACASA-N -1 0 347.802 3.547 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cc(F)c(F)c(F)c1)c1cccc(Cl)c1 ZINC000740290428 600329798 /nfs/dbraw/zinc/32/97/98/600329798.db2.gz JDCXGGVUANNWGO-ZDUSSCGKSA-N -1 0 344.672 3.740 20 0 EHADRM C[C@@H]1CCC[C@H](OCC(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC000736782678 600330484 /nfs/dbraw/zinc/33/04/84/600330484.db2.gz VYMQKRSUGKNYDL-WPGHFRTFSA-N -1 0 340.803 3.604 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)Nc2nc3ccccc3s2)cc1 ZINC000739991824 600334811 /nfs/dbraw/zinc/33/48/11/600334811.db2.gz NZIQVPIQWDQRAJ-UHFFFAOYSA-N -1 0 342.380 3.708 20 0 EHADRM CSc1ccccc1NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000738214634 600334958 /nfs/dbraw/zinc/33/49/58/600334958.db2.gz OWVLJWAIQCQOTA-UHFFFAOYSA-N -1 0 331.397 3.820 20 0 EHADRM CC1(C)CO[C@@H](c2ccccc2Cl)CN1Cc1occc1C(=O)[O-] ZINC000736736921 600336137 /nfs/dbraw/zinc/33/61/37/600336137.db2.gz IWUWLYHLKYJCLZ-OAHLLOKOSA-N -1 0 349.814 3.983 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1)Cc1ccccc1 ZINC000736321404 600336946 /nfs/dbraw/zinc/33/69/46/600336946.db2.gz BDLTWZNVBNLOIF-UHFFFAOYSA-N -1 0 344.386 3.914 20 0 EHADRM CN(Cc1ccc(NC(=O)N(C)CC2CCCCC2)cc1)C(=O)[O-] ZINC000737478222 600340479 /nfs/dbraw/zinc/34/04/79/600340479.db2.gz GACQDCQOHNRRRB-UHFFFAOYSA-N -1 0 333.432 3.840 20 0 EHADRM CCC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736973977 600352622 /nfs/dbraw/zinc/35/26/22/600352622.db2.gz LDNKDOSAEDOXNU-ZBFHGGJFSA-N -1 0 333.432 3.935 20 0 EHADRM C[C@H]1CCCC[C@H]1CCNC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736778560 600355769 /nfs/dbraw/zinc/35/57/69/600355769.db2.gz GPPAOXNIOTWSQP-ZFWWWQNUSA-N -1 0 333.432 3.792 20 0 EHADRM C[C@@H](S[C@H](C)c1cccs1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736709320 600362448 /nfs/dbraw/zinc/36/24/48/600362448.db2.gz OXNPRIHXIYLQBF-VXGBXAGGSA-N -1 0 349.477 3.945 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000736624865 600367337 /nfs/dbraw/zinc/36/73/37/600367337.db2.gz BWGSHPMJOAAITL-SNVBAGLBSA-N -1 0 347.411 3.891 20 0 EHADRM Cc1cc(NC(=O)CCOc2cccc(C)c2C)sc1C(=O)[O-] ZINC000320004516 600372420 /nfs/dbraw/zinc/37/24/20/600372420.db2.gz MWMQFDNRRYSLLO-UHFFFAOYSA-N -1 0 333.409 3.779 20 0 EHADRM CCC[C@@](C)(NC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000236964953 600374679 /nfs/dbraw/zinc/37/46/79/600374679.db2.gz RIQBCSHNHGPGTC-BDJLRTHQSA-N -1 0 345.361 3.644 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)CCc1cccc(C)c1)c1ccccc1 ZINC000736852731 600378517 /nfs/dbraw/zinc/37/85/17/600378517.db2.gz PRXNDVUVEOTEKL-GOSISDBHSA-N -1 0 325.408 3.824 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)COc1ccc(C)c(C)c1)c1ccccc1 ZINC000736850561 600378637 /nfs/dbraw/zinc/37/86/37/600378637.db2.gz AVLUEFONXNXCDO-SFHVURJKSA-N -1 0 341.407 3.579 20 0 EHADRM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000736825376 600379097 /nfs/dbraw/zinc/37/90/97/600379097.db2.gz KZJRHHLTOFLTTM-QLJPJBMISA-N -1 0 328.343 3.579 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1cccc(OC(F)F)c1)c1ccccc1 ZINC000736852346 600379739 /nfs/dbraw/zinc/37/97/39/600379739.db2.gz WMSOTHMERGKIDS-OAHLLOKOSA-N -1 0 349.333 3.798 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)c1ccc(OC2CCCCC2)cc1)C(=O)[O-] ZINC000736872998 600380394 /nfs/dbraw/zinc/38/03/94/600380394.db2.gz NPIHPMSFWILNLD-SUMWQHHRSA-N -1 0 333.428 3.627 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)Cc1ccc(Cl)cc1)c1ccccc1 ZINC000736852271 600380523 /nfs/dbraw/zinc/38/05/23/600380523.db2.gz MRYXZOZKKMEEEA-INIZCTEOSA-N -1 0 331.799 3.779 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CC[C@H](c3ccco3)C2)ccc1Cl ZINC000738672751 600380743 /nfs/dbraw/zinc/38/07/43/600380743.db2.gz RNIUEOFKZPPYSQ-JTQLQIEISA-N -1 0 334.759 3.653 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000236820584 600381417 /nfs/dbraw/zinc/38/14/17/600381417.db2.gz MRJZDEDRHCTRND-UHFFFAOYSA-N -1 0 339.435 3.968 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)/C=C/c1ccnc2ccccc12 ZINC000190917156 600381804 /nfs/dbraw/zinc/38/18/04/600381804.db2.gz MSVGOKHZSYTJRD-ZHACJKMWSA-N -1 0 346.386 3.605 20 0 EHADRM O=C([O-])c1cc(NC(=O)C[C@@H]2CCOc3ccccc32)ccc1Cl ZINC000676001833 600382132 /nfs/dbraw/zinc/38/21/32/600382132.db2.gz NXSSWBUTTTWKCT-NSHDSACASA-N -1 0 345.782 3.933 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)/C=C/c1ccc(OC)cc1)c1ccccc1 ZINC000736849220 600385843 /nfs/dbraw/zinc/38/58/43/600385843.db2.gz QCJPXMZQJQSELF-GPZRYRNASA-N -1 0 339.391 3.605 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1sccc1SC)c1ccccc1 ZINC000736850774 600388369 /nfs/dbraw/zinc/38/83/69/600388369.db2.gz KPNMNQBFXMMSOO-GFCCVEGCSA-N -1 0 335.450 3.980 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)Cc2ccc3ccccc3c2)cc1 ZINC000740017030 600388389 /nfs/dbraw/zinc/38/83/89/600388389.db2.gz LDPOOWZJXMUBHU-UHFFFAOYSA-N -1 0 348.402 3.831 20 0 EHADRM CCc1ccc([C@H]2CCCN2C(=O)c2[nH]c(CC)c(C(=O)[O-])c2C)o1 ZINC000737258547 600390104 /nfs/dbraw/zinc/39/01/04/600390104.db2.gz HXODIKLLOOZNKL-CQSZACIVSA-N -1 0 344.411 3.716 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CC[C@H](c3ccccc3)C2)ccc1F ZINC000324251173 600390845 /nfs/dbraw/zinc/39/08/45/600390845.db2.gz DSYSAJYTPFGGOI-ZDUSSCGKSA-N -1 0 328.343 3.545 20 0 EHADRM Cc1oc(CN(C)C(=O)C(C)(C)Cc2ccccc2)cc1C(=O)[O-] ZINC000262086686 600392409 /nfs/dbraw/zinc/39/24/09/600392409.db2.gz FVYHEMZMANMVQC-UHFFFAOYSA-N -1 0 329.396 3.514 20 0 EHADRM Cc1oc(CN(C)C(=O)CC/C=C/c2ccccc2)cc1C(=O)[O-] ZINC000262480010 600396364 /nfs/dbraw/zinc/39/63/64/600396364.db2.gz KJNJGLJVSXPAQZ-UXBLZVDNSA-N -1 0 327.380 3.738 20 0 EHADRM O=C([O-])c1cc(NC(=O)CC/C=C/c2ccccc2)cc([N+](=O)[O-])c1 ZINC000237994530 600399627 /nfs/dbraw/zinc/39/96/27/600399627.db2.gz WKTDCQVMBKUJMW-XBXARRHUSA-N -1 0 340.335 3.725 20 0 EHADRM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCO[C@@H](c2ccccc2F)C1 ZINC000576522238 600403424 /nfs/dbraw/zinc/40/34/24/600403424.db2.gz BNHXYJKNWZUDMK-SJORKVTESA-N -1 0 349.789 3.678 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)NC(C)(C)CCC(=O)[O-] ZINC000237016007 600417888 /nfs/dbraw/zinc/41/78/88/600417888.db2.gz YXSHCCMEXHBXJF-VNDWYCCKSA-N -1 0 333.428 3.637 20 0 EHADRM COc1ccc(N[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1NC(C)=O ZINC000738038355 600420458 /nfs/dbraw/zinc/42/04/58/600420458.db2.gz FGWFSIYNGOUNAE-MRXNPFEDSA-N -1 0 348.786 3.545 20 0 EHADRM O=C([O-])[C@H](Nc1cccc(OCC(F)(F)F)c1)c1ccccc1 ZINC000738524876 600422535 /nfs/dbraw/zinc/42/25/35/600422535.db2.gz ILDLDOJVWJEWGR-CQSZACIVSA-N -1 0 325.286 3.866 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)c2cc3c(cccc3Cl)s2)c1 ZINC000740244090 600426230 /nfs/dbraw/zinc/42/62/30/600426230.db2.gz CZIPJATUANXTED-UHFFFAOYSA-N -1 0 332.768 3.900 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)CCc2ccc(Cl)cc2Cl)c1 ZINC000387500496 600432765 /nfs/dbraw/zinc/43/27/65/600432765.db2.gz YKFQVMHBLVRZMY-UHFFFAOYSA-N -1 0 339.178 3.658 20 0 EHADRM CCS[C@H]1CCCCN(C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000737228524 600435491 /nfs/dbraw/zinc/43/54/91/600435491.db2.gz BOXIPBMYQYCTOZ-AWEZNQCLSA-N -1 0 336.457 3.833 20 0 EHADRM CCS[C@@H]1CCCCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000737228992 600438001 /nfs/dbraw/zinc/43/80/01/600438001.db2.gz JEPYTKDFSPQDQD-GFCCVEGCSA-N -1 0 340.420 3.663 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1sccc1-n1cccc1)c1ccc(F)cc1 ZINC000740288488 600447602 /nfs/dbraw/zinc/44/76/02/600447602.db2.gz AWZIPRAEAKLSQD-CQSZACIVSA-N -1 0 345.351 3.661 20 0 EHADRM CC(C)c1ccc(OCC(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000736515078 600448097 /nfs/dbraw/zinc/44/80/97/600448097.db2.gz FQBLFVUMHGDZKW-SFHVURJKSA-N -1 0 346.354 3.697 20 0 EHADRM Cc1ccccc1OCCCC(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738784788 600449406 /nfs/dbraw/zinc/44/94/06/600449406.db2.gz OTBOQPDUABSKPB-GOSISDBHSA-N -1 0 346.354 3.662 20 0 EHADRM Cc1[nH]c2ccccc2c1CC(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738247092 600450193 /nfs/dbraw/zinc/45/01/93/600450193.db2.gz SAIILZVGRHUANT-GOSISDBHSA-N -1 0 341.338 3.527 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)/C=C/c2cncc(F)c2)s1 ZINC000736294201 600450748 /nfs/dbraw/zinc/45/07/48/600450748.db2.gz KPBDUKYHWHXQPG-SNAWJCMRSA-N -1 0 348.399 3.930 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)c2ccnc(C3CC3)n2)s1 ZINC000736293486 600451555 /nfs/dbraw/zinc/45/15/55/600451555.db2.gz BUSOYMYSTDOWRN-UHFFFAOYSA-N -1 0 345.424 3.664 20 0 EHADRM Cc1oc(CN(C)C(=O)NCC[C@H]2CCCC[C@H]2C)cc1C(=O)[O-] ZINC000738967059 600452211 /nfs/dbraw/zinc/45/22/11/600452211.db2.gz IWCVCBXVAMOXIJ-TZMCWYRMSA-N -1 0 336.432 3.644 20 0 EHADRM CC1(C)Cc2cccc(CNc3ccc(CNC(=O)[O-])cc3)c2O1 ZINC000736737839 600453244 /nfs/dbraw/zinc/45/32/44/600453244.db2.gz YUGJCZLXLHSGFG-UHFFFAOYSA-N -1 0 326.396 3.780 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)N2CCC[C@]3(CC=CCC3)C2)cc1 ZINC000739823883 600454873 /nfs/dbraw/zinc/45/48/73/600454873.db2.gz NOTOEWAXUXKOEO-LJQANCHMSA-N -1 0 344.411 3.504 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738118449 600455884 /nfs/dbraw/zinc/45/58/84/600455884.db2.gz BHLBOFCRASACND-XIKOKIGWSA-N -1 0 346.354 3.697 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)NCc2coc3ccccc23)c1 ZINC000739450083 600456127 /nfs/dbraw/zinc/45/61/27/600456127.db2.gz DUTYNNCBWSAANW-UHFFFAOYSA-N -1 0 328.299 3.592 20 0 EHADRM C[C@@H](OC(=O)/C=C/c1ccnc2ccccc12)c1ccc(C(=O)[O-])o1 ZINC000736685418 600457098 /nfs/dbraw/zinc/45/70/98/600457098.db2.gz PXLPKZSCFSCVOR-UVMWJGKXSA-N -1 0 337.331 3.844 20 0 EHADRM Cc1[nH]c(C(=O)N[C@@H](c2ccccc2C)C(C)C)c(C)c1C(=O)[O-] ZINC000738757505 600460686 /nfs/dbraw/zinc/46/06/86/600460686.db2.gz AWVNOFWADYPJIA-MRXNPFEDSA-N -1 0 328.412 3.765 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)N2CCC[C@H]2C2CCCC2)cc1 ZINC000740016949 600461701 /nfs/dbraw/zinc/46/17/01/600461701.db2.gz CVVJSVUITKTQST-KRWDZBQOSA-N -1 0 345.443 3.683 20 0 EHADRM CC(C)[C@@H](OC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000736622893 600467628 /nfs/dbraw/zinc/46/76/28/600467628.db2.gz WLCRLWRKAOBOCI-ZWNOBZJWSA-N -1 0 332.318 3.536 20 0 EHADRM Cc1sc(NC(=O)[C@@H]2CSc3ccccc32)c(C(=O)[O-])c1C ZINC000317716080 600473728 /nfs/dbraw/zinc/47/37/28/600473728.db2.gz MPXZKAPPYHYQOU-LLVKDONJSA-N -1 0 333.434 3.891 20 0 EHADRM Cc1cc(-c2ccccc2)ccc1NC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000579333037 600474282 /nfs/dbraw/zinc/47/42/82/600474282.db2.gz NGKNCQYCNYFPFX-QGZVFWFLSA-N -1 0 338.407 3.991 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)[C@@H]1CSc2ccccc21 ZINC000325789817 600474665 /nfs/dbraw/zinc/47/46/65/600474665.db2.gz GFVDQUFUHVFMMI-OAHLLOKOSA-N -1 0 339.416 3.554 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1Cl ZINC000238170407 600477958 /nfs/dbraw/zinc/47/79/58/600477958.db2.gz FTEPPECMOPAJHL-UHFFFAOYSA-N -1 0 328.755 3.701 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)N3CCC[C@@H](C(=O)[O-])C3)cc2s1 ZINC000263456077 600479399 /nfs/dbraw/zinc/47/93/99/600479399.db2.gz CDCUIGWWFWETQF-LLVKDONJSA-N -1 0 347.440 3.748 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(C(F)(F)F)nc2)cc1Cl ZINC000238121335 600479992 /nfs/dbraw/zinc/47/99/92/600479992.db2.gz FTEFFIURFACIBP-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM CC(C)(C)Sc1ccc(NC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000263507737 600480188 /nfs/dbraw/zinc/48/01/88/600480188.db2.gz WIDUCJHKGYGGPT-LBPRGKRZSA-N -1 0 336.457 3.906 20 0 EHADRM CC[C@H](c1ccncc1)N(C)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736930411 600481149 /nfs/dbraw/zinc/48/11/49/600481149.db2.gz VKBRICYKFJWTED-OAHLLOKOSA-N -1 0 346.362 3.926 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)Nc2ccc(CCC(=O)[O-])cc2)s1 ZINC000325896085 600481948 /nfs/dbraw/zinc/48/19/48/600481948.db2.gz VCNBEXCZYRACKL-GFCCVEGCSA-N -1 0 346.452 3.826 20 0 EHADRM C[C@H]1SCCN(C(=O)c2cccc(C(=O)[O-])c2)[C@H]1c1ccccc1 ZINC000237602097 600482304 /nfs/dbraw/zinc/48/23/04/600482304.db2.gz DYXDDJLHTBZCCQ-CXAGYDPISA-N -1 0 341.432 3.704 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)/C=C\c2cccc(F)c2)cc1 ZINC000739686352 600483276 /nfs/dbraw/zinc/48/32/76/600483276.db2.gz IWZZULKGPJMHLJ-WDZFZDKYSA-N -1 0 343.354 3.721 20 0 EHADRM O=C([O-])CCCOc1ccc(CNC(=O)C2CCCCCC2)cc1 ZINC000237992998 600483275 /nfs/dbraw/zinc/48/32/75/600483275.db2.gz ZLCREOABGNLEOV-UHFFFAOYSA-N -1 0 333.428 3.517 20 0 EHADRM CC(C)(C)[C@@H]1OCCC[C@H]1CNc1nc(Cl)c(C(=O)[O-])s1 ZINC000736249602 600488341 /nfs/dbraw/zinc/48/83/41/600488341.db2.gz HRUVOCLCAYYXIJ-WCBMZHEXSA-N -1 0 332.853 3.748 20 0 EHADRM CCCCC[C@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000736983248 600495062 /nfs/dbraw/zinc/49/50/62/600495062.db2.gz CETMBMMPLQCKEM-SJORKVTESA-N -1 0 332.444 3.814 20 0 EHADRM CCC1(C)CCN(C(=O)NCCc2ccc(NC(=O)[O-])cc2)CC1 ZINC000736929981 600498502 /nfs/dbraw/zinc/49/85/02/600498502.db2.gz SDJLGDSYNQXWDW-UHFFFAOYSA-N -1 0 333.432 3.541 20 0 EHADRM CC(=O)Nc1cccc(NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000392078035 600509524 /nfs/dbraw/zinc/50/95/24/600509524.db2.gz KLRUWNWUDPBGKM-UHFFFAOYSA-N -1 0 347.758 3.641 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1cccc(O)c1 ZINC000736648903 600513347 /nfs/dbraw/zinc/51/33/47/600513347.db2.gz MTUUYSHNSNFURW-VIFPVBQESA-N -1 0 334.759 3.627 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NC2(c3ccc(F)cc3)CC2)cc1Cl ZINC000739464651 600514118 /nfs/dbraw/zinc/51/41/18/600514118.db2.gz IMLWSKQHPIDKFF-UHFFFAOYSA-N -1 0 348.761 3.988 20 0 EHADRM C[C@H](Cc1ccccc1F)c1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000736629432 600515447 /nfs/dbraw/zinc/51/54/47/600515447.db2.gz KTPOKROWMINHHX-LLVKDONJSA-N -1 0 326.327 3.920 20 0 EHADRM COC[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000737745496 600516796 /nfs/dbraw/zinc/51/67/96/600516796.db2.gz FRMREDCTHWBSNA-HNNXBMFYSA-N -1 0 348.786 3.547 20 0 EHADRM O=C([O-])c1sccc1NC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000739339510 600521927 /nfs/dbraw/zinc/52/19/27/600521927.db2.gz WYZIIBPSGDWUMH-UHFFFAOYSA-N -1 0 334.784 3.762 20 0 EHADRM CSCCCCC(=O)Oc1ccc(C(=O)[O-])cc1Br ZINC000738189857 600523787 /nfs/dbraw/zinc/52/37/87/600523787.db2.gz CHONDJHXXYYMPS-UHFFFAOYSA-N -1 0 347.230 3.586 20 0 EHADRM CCN(C(=O)[C@@H](C)Oc1cccc(C)c1)c1ccccc1C(=O)[O-] ZINC000737049818 600523976 /nfs/dbraw/zinc/52/39/76/600523976.db2.gz IMFSWCULJAAQAA-CQSZACIVSA-N -1 0 327.380 3.514 20 0 EHADRM Cc1cccc(N(CC(=O)[O-])C(=O)CCc2ccc(C(C)C)cc2)n1 ZINC000738719392 600526020 /nfs/dbraw/zinc/52/60/20/600526020.db2.gz IAGPRBSGJOIJHM-UHFFFAOYSA-N -1 0 340.423 3.564 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000739339546 600526752 /nfs/dbraw/zinc/52/67/52/600526752.db2.gz ZDNVUNGQCFNESO-UHFFFAOYSA-N -1 0 346.745 3.840 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NCC2(c3cccc(Cl)c3)CC2)cc1 ZINC000738661563 600529690 /nfs/dbraw/zinc/52/96/90/600529690.db2.gz WWJFCVCXJJFQNV-UHFFFAOYSA-N -1 0 344.798 3.892 20 0 EHADRM CC(C)(C)[C@H](NC(=O)Cc1coc2ccc3ccccc3c12)C(=O)[O-] ZINC000675986742 600531552 /nfs/dbraw/zinc/53/15/52/600531552.db2.gz NGPMWFMXWRDOGH-GOSISDBHSA-N -1 0 339.391 3.744 20 0 EHADRM CCN(C(=O)Cc1c[nH]c2cc(C)ccc12)c1ccccc1C(=O)[O-] ZINC000737059876 600531580 /nfs/dbraw/zinc/53/15/80/600531580.db2.gz JXUUVWAPLUZEDG-UHFFFAOYSA-N -1 0 336.391 3.770 20 0 EHADRM CCN(C(=O)c1cc2c(s1)CCCC2)c1ccccc1C(=O)[O-] ZINC000737058900 600532542 /nfs/dbraw/zinc/53/25/42/600532542.db2.gz WMEJYPIDUJFXPL-UHFFFAOYSA-N -1 0 329.421 3.992 20 0 EHADRM CC(C)(Oc1cccc(Cl)c1)C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC000736343983 600533112 /nfs/dbraw/zinc/53/31/12/600533112.db2.gz NFDJDUXQPUDHNF-UHFFFAOYSA-N -1 0 348.782 3.730 20 0 EHADRM C[C@H](NC(=O)NCc1ccc(C(=O)[O-])o1)c1ccc2ccccc2c1 ZINC000736648491 600533182 /nfs/dbraw/zinc/53/31/82/600533182.db2.gz ZBRPENAWQQFCRV-LBPRGKRZSA-N -1 0 338.363 3.691 20 0 EHADRM CCc1[nH]c(C(=O)N(C)c2ccc(SC)cc2)c(C)c1C(=O)[O-] ZINC000737238231 600535239 /nfs/dbraw/zinc/53/52/39/600535239.db2.gz YVIGRAJEWNOSBY-UHFFFAOYSA-N -1 0 332.425 3.582 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)CCNC(=O)[O-])C1CCC(C)CC1 ZINC000738758983 600535627 /nfs/dbraw/zinc/53/56/27/600535627.db2.gz TYYWLFLNLLXHPS-RWKZGTHUSA-N -1 0 332.444 3.636 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cccc(Oc3ccncc3)c2)c1 ZINC000740227763 600536607 /nfs/dbraw/zinc/53/66/07/600536607.db2.gz VMMAYTMPCVVFNL-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)NC/C=C/c2ccccc2)ccc1F ZINC000740006324 600548415 /nfs/dbraw/zinc/54/84/15/600548415.db2.gz BFLYGLYVXUIWJA-QPJJXVBHSA-N -1 0 329.331 3.751 20 0 EHADRM C[C@H](Oc1ccc(F)cc1Cl)C(=O)Oc1ccc(C(=O)[O-])cc1 ZINC000736703151 600550922 /nfs/dbraw/zinc/55/09/22/600550922.db2.gz NXTFMSHQJXDCRM-VIFPVBQESA-N -1 0 338.718 3.550 20 0 EHADRM C[C@H]1CCCC[C@@H]1OCC(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC000736785526 600551852 /nfs/dbraw/zinc/55/18/52/600551852.db2.gz QJRRBDHMIRVDJC-GWCFXTLKSA-N -1 0 326.776 3.539 20 0 EHADRM CC(C)(C)Sc1ccc(NC(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000263504553 600558077 /nfs/dbraw/zinc/55/80/77/600558077.db2.gz VDBHNQPVALSPNH-UHFFFAOYSA-N -1 0 336.457 3.906 20 0 EHADRM CCC(CC)[C@H](NC(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000263012288 600560679 /nfs/dbraw/zinc/56/06/79/600560679.db2.gz NTOACOUMPANRJV-KRWDZBQOSA-N -1 0 332.444 3.670 20 0 EHADRM C[C@H](NC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(C(C)(C)C)cc1 ZINC000263059187 600561534 /nfs/dbraw/zinc/56/15/34/600561534.db2.gz RUTPHNFFMALPQL-ZDUSSCGKSA-N -1 0 332.444 3.551 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)NCc1csc2ccccc12 ZINC000740045787 600572019 /nfs/dbraw/zinc/57/20/19/600572019.db2.gz KPQVPAWNRUSVHA-UHFFFAOYSA-N -1 0 326.377 3.921 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)NCCCc1ccc(Cl)cc1 ZINC000740046793 600576496 /nfs/dbraw/zinc/57/64/96/600576496.db2.gz QGMDYKISTUKDDU-UHFFFAOYSA-N -1 0 332.787 3.793 20 0 EHADRM C[C@@H](CC(=O)[O-])SCC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000736551351 600582799 /nfs/dbraw/zinc/58/27/99/600582799.db2.gz JWEXTEWESFZXMU-RYUDHWBXSA-N -1 0 335.425 3.549 20 0 EHADRM CC(C)(C(=O)Nc1ccc(OCCC(=O)[O-])cc1)c1cccc(F)c1 ZINC000236727484 600585770 /nfs/dbraw/zinc/58/57/70/600585770.db2.gz CICVEAALVSJDIX-UHFFFAOYSA-N -1 0 345.370 3.596 20 0 EHADRM COC(=O)C[C@@H](C)SCc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000737599978 600588777 /nfs/dbraw/zinc/58/87/77/600588777.db2.gz XPYHRDQJJOMWRI-MRVPVSSYSA-N -1 0 342.413 3.923 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000740041898 600589432 /nfs/dbraw/zinc/58/94/32/600589432.db2.gz XFMFZYXFUCEQNC-INIZCTEOSA-N -1 0 338.407 3.871 20 0 EHADRM Cc1sc2[nH]c([C@@H](C)S[C@H](C)CC(=O)[O-])nc(=O)c2c1C ZINC000738399016 600589585 /nfs/dbraw/zinc/58/95/85/600589585.db2.gz QLZKHXWQHWFDCR-HZGVNTEJSA-N -1 0 326.443 3.671 20 0 EHADRM CN(C(=O)/C=C/c1ccnc2ccccc12)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737313475 600592559 /nfs/dbraw/zinc/59/25/59/600592559.db2.gz KMOQHDCPCILFNE-YVNCXZRQSA-N -1 0 346.386 3.532 20 0 EHADRM Cc1nc(CC(C)C)sc1C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000738849934 600592969 /nfs/dbraw/zinc/59/29/69/600592969.db2.gz KHYDRUWJKYYDHL-HNNXBMFYSA-N -1 0 346.452 3.548 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000738252776 600593853 /nfs/dbraw/zinc/59/38/53/600593853.db2.gz JCVQQAVLYWHFOS-INIZCTEOSA-N -1 0 341.338 3.778 20 0 EHADRM C[C@H](CC(=O)[O-])SCC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000736550299 600594428 /nfs/dbraw/zinc/59/44/28/600594428.db2.gz FAUMDZRDMLZNBW-OLZOCXBDSA-N -1 0 331.437 3.613 20 0 EHADRM CN(C(=O)c1cc2c(s1)CCCCC2)[C@H](C(=O)[O-])c1ccccc1 ZINC000737333106 600596461 /nfs/dbraw/zinc/59/64/61/600596461.db2.gz HKSKNIZDJSUXBU-KRWDZBQOSA-N -1 0 343.448 3.915 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)Nc1ccc(OCC2CC2)cc1 ZINC000740057537 600597962 /nfs/dbraw/zinc/59/79/62/600597962.db2.gz XVOYFXJIQZAOMZ-UHFFFAOYSA-N -1 0 326.352 3.818 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NCC1(c2cccc(F)c2)CC1 ZINC000738531641 600600472 /nfs/dbraw/zinc/60/04/72/600600472.db2.gz BBQABWSIQLXUBF-UHFFFAOYSA-N -1 0 342.370 3.686 20 0 EHADRM C[C@@H](CSCC(=O)Nc1ccccc1-c1ccccc1)C(=O)[O-] ZINC000736613846 600601132 /nfs/dbraw/zinc/60/11/32/600601132.db2.gz PZVASPJHSREHPQ-ZDUSSCGKSA-N -1 0 329.421 3.746 20 0 EHADRM CN(C(=O)c1cccc(C(F)(F)F)c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737340460 600601219 /nfs/dbraw/zinc/60/12/19/600601219.db2.gz JCKXTENNMRRSRZ-CQSZACIVSA-N -1 0 337.297 3.603 20 0 EHADRM CC(C)Cc1ccc(CC(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000736454824 600601553 /nfs/dbraw/zinc/60/15/53/600601553.db2.gz XJIAMKQAOKNOBR-HXUWFJFHSA-N -1 0 339.435 3.712 20 0 EHADRM O=C(C=C1CCCC1)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000739208784 600603125 /nfs/dbraw/zinc/60/31/25/600603125.db2.gz ICSLLTPIBXGEMV-IBGZPJMESA-N -1 0 337.419 3.700 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc2c(c1)-c1ccccc1C2)c1ccccc1 ZINC000739783845 600604161 /nfs/dbraw/zinc/60/41/61/600604161.db2.gz PPTUITKTXOJTSI-UHFFFAOYSA-N -1 0 343.382 3.989 20 0 EHADRM CC(C)N(CCC(=O)[O-])Cn1c2ccccc2n(C(F)F)c1=S ZINC000736467660 600608360 /nfs/dbraw/zinc/60/83/60/600608360.db2.gz AXDQWZQROYODHX-UHFFFAOYSA-N -1 0 343.399 3.710 20 0 EHADRM CC(C)CC[C@@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)C(C)(C)C ZINC000736428334 600610269 /nfs/dbraw/zinc/61/02/69/600610269.db2.gz ZSWYIKDIRGPCSS-MRXNPFEDSA-N -1 0 335.444 3.731 20 0 EHADRM Cc1cc(Cn2c(=O)scc2-c2ccccc2C)oc1C(=O)[O-] ZINC000738750631 600612948 /nfs/dbraw/zinc/61/29/48/600612948.db2.gz XCAQCPVHSBLAHW-UHFFFAOYSA-N -1 0 329.377 3.533 20 0 EHADRM C[C@H](C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-])C(C)(C)C ZINC000439947703 600617778 /nfs/dbraw/zinc/61/77/78/600617778.db2.gz RVIADKYATBRHOG-RDTXWAMCSA-N -1 0 341.451 3.882 20 0 EHADRM O=C([O-])c1ccc(C(=O)OCc2cc(Br)cs2)cc1 ZINC000740120036 600619176 /nfs/dbraw/zinc/61/91/76/600619176.db2.gz BLLHKKCIMTZKLF-UHFFFAOYSA-N -1 0 341.182 3.566 20 0 EHADRM CS[C@H](C(=O)OCc1ccc(F)cc1C(=O)[O-])c1ccccc1 ZINC000738181530 600621061 /nfs/dbraw/zinc/62/10/61/600621061.db2.gz LGRCDAMWLIHRTH-HNNXBMFYSA-N -1 0 334.368 3.671 20 0 EHADRM CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000736929403 600623920 /nfs/dbraw/zinc/62/39/20/600623920.db2.gz KLNXXIUDNMOQLY-INIZCTEOSA-N -1 0 345.374 3.924 20 0 EHADRM Cc1cccc(OCCC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000322601322 600624212 /nfs/dbraw/zinc/62/42/12/600624212.db2.gz MEOHOMZCLXBNPO-UHFFFAOYSA-N -1 0 333.771 3.754 20 0 EHADRM Cc1cc(NC(=O)NC2(c3cccc(F)c3)CC2)ccc1C(=O)[O-] ZINC000738442311 600625935 /nfs/dbraw/zinc/62/59/35/600625935.db2.gz PGMKOMHEOMEWEP-UHFFFAOYSA-N -1 0 328.343 3.643 20 0 EHADRM C[C@H]1C[C@H](NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C[C@@H](C)C1 ZINC000736751237 600626325 /nfs/dbraw/zinc/62/63/25/600626325.db2.gz UWWQUHUOHRSXLC-VIKVFOODSA-N -1 0 333.432 3.743 20 0 EHADRM CCc1cccc(CC)c1S(=O)(=O)Nc1cccc(C(=O)[O-])c1C ZINC000605495883 600635019 /nfs/dbraw/zinc/63/50/19/600635019.db2.gz SFFGCNJLCKTJIS-UHFFFAOYSA-N -1 0 347.436 3.619 20 0 EHADRM CCc1ccc([C@@H](C)NC(=O)COc2cc(C)sc2C(=O)[O-])cc1 ZINC000737258849 600638992 /nfs/dbraw/zinc/63/89/92/600638992.db2.gz KWCFYBDTOZYARK-GFCCVEGCSA-N -1 0 347.436 3.573 20 0 EHADRM O=C([O-])c1ccc(CNCc2ccc(-c3c(F)cccc3F)o2)o1 ZINC000740132232 600640237 /nfs/dbraw/zinc/64/02/37/600640237.db2.gz HZIXQPUYZMAMDE-UHFFFAOYSA-N -1 0 333.290 3.806 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@H](c1ncccc1C)C(C)C ZINC000738532727 600640835 /nfs/dbraw/zinc/64/08/35/600640835.db2.gz IBENRNFAIYFKDY-INIZCTEOSA-N -1 0 341.411 3.915 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)cc1F)C(=O)[O-] ZINC000736244188 600643853 /nfs/dbraw/zinc/64/38/53/600643853.db2.gz SSAWLPINZKZWAB-INIZCTEOSA-N -1 0 347.361 3.861 20 0 EHADRM CCN(C(=O)c1cc(F)c(F)c(F)c1F)c1ccccc1C(=O)[O-] ZINC000737056981 600646733 /nfs/dbraw/zinc/64/67/33/600646733.db2.gz ABIGFSQZNDYKGB-UHFFFAOYSA-N -1 0 341.260 3.608 20 0 EHADRM CCN(C(=O)Cc1c[nH]c2cc(F)ccc12)c1ccccc1C(=O)[O-] ZINC000737059749 600646990 /nfs/dbraw/zinc/64/69/90/600646990.db2.gz HIYGSLIOBHGUCF-UHFFFAOYSA-N -1 0 340.354 3.601 20 0 EHADRM C[C@H]1CCC[C@H](CCNC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)C1 ZINC000326172305 600647692 /nfs/dbraw/zinc/64/76/92/600647692.db2.gz OEOBMNLALCAZPF-UONOGXRCSA-N -1 0 330.428 3.626 20 0 EHADRM CCN(C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)c1ccccc1C(=O)[O-] ZINC000737053734 600647791 /nfs/dbraw/zinc/64/77/91/600647791.db2.gz WQZZXCFPCMNJEX-STQMWFEESA-N -1 0 345.345 3.820 20 0 EHADRM CCc1ccc([C@H](NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)C(C)C)cc1 ZINC000392270688 600653075 /nfs/dbraw/zinc/65/30/75/600653075.db2.gz HRFDWNNLIMOSSB-OKZBNKHCSA-N -1 0 331.456 3.953 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2cccc(OC3CCCC3)c2)C1 ZINC000179967100 600654612 /nfs/dbraw/zinc/65/46/12/600654612.db2.gz BXUOYSGBCALEQR-ZIAGYGMSSA-N -1 0 331.412 3.838 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N[C@@H](C(=O)[O-])c2cccs2)cc1 ZINC000448993641 600661244 /nfs/dbraw/zinc/66/12/44/600661244.db2.gz NSIMXVIJZSWCIL-ZMSDIMECSA-N -1 0 343.448 3.917 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)C1 ZINC000245708944 600661763 /nfs/dbraw/zinc/66/17/63/600661763.db2.gz MYYKOSJWSPOWGY-HDMKZQKVSA-N -1 0 327.424 3.556 20 0 EHADRM CSc1ccc(O[C@@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000479405455 600661958 /nfs/dbraw/zinc/66/19/58/600661958.db2.gz IDCXNCMXJJBZOI-JTQLQIEISA-N -1 0 349.383 3.652 20 0 EHADRM CC1(C)CC[C@H](NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c2ccccc21 ZINC000353953824 600662721 /nfs/dbraw/zinc/66/27/21/600662721.db2.gz ZQEHUTRQVNLMNR-ZQIUZPCESA-N -1 0 329.440 3.806 20 0 EHADRM Cc1cccc(C2(CNC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)CCCC2)c1 ZINC000498635341 600664944 /nfs/dbraw/zinc/66/49/44/600664944.db2.gz NOGXSQOUORVDLZ-IRXDYDNUSA-N -1 0 343.467 3.814 20 0 EHADRM CSC[C@H](C)C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000832753128 600665594 /nfs/dbraw/zinc/66/55/94/600665594.db2.gz FLXFVTZKOXYTLM-WRWORJQWSA-N -1 0 337.224 3.661 20 0 EHADRM C[C@H](CC(=O)O[C@H](C(=O)[O-])c1ccccc1F)c1ccc(F)cc1 ZINC000827391839 600668851 /nfs/dbraw/zinc/66/88/51/600668851.db2.gz LSOZGBPFNIIKST-DIFFPNOSSA-N -1 0 334.318 3.828 20 0 EHADRM C/C(=C/C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC000736120940 600671533 /nfs/dbraw/zinc/67/15/33/600671533.db2.gz MKYXRVATSIQYFU-GDAGCXPBSA-N -1 0 343.345 3.724 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1c(C)cccc1C ZINC000737880144 600677605 /nfs/dbraw/zinc/67/76/05/600677605.db2.gz XCZRTHYCRQSOJO-CSKARUKUSA-N -1 0 326.348 3.629 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NCc2nc(-c3ccsc3)no2)cc1 ZINC000736232827 600680517 /nfs/dbraw/zinc/68/05/17/600680517.db2.gz PCUADPGOLMPOLT-UHFFFAOYSA-N -1 0 343.408 3.772 20 0 EHADRM Cc1oc(CNc2cccc(CC(=O)OC(C)(C)C)c2)cc1C(=O)[O-] ZINC000738985144 600682431 /nfs/dbraw/zinc/68/24/31/600682431.db2.gz ZUTKSYYKHFCCLA-UHFFFAOYSA-N -1 0 345.395 3.783 20 0 EHADRM Cn1cc(CCOc2c(Cl)cc(Cl)c(Cl)c2C(=O)[O-])cn1 ZINC000739029209 600687115 /nfs/dbraw/zinc/68/71/15/600687115.db2.gz VLOBKDPWGDPJLZ-UHFFFAOYSA-N -1 0 349.601 3.700 20 0 EHADRM CC[C@@H]1CCC[C@H](NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])C1 ZINC000236945997 600691184 /nfs/dbraw/zinc/69/11/84/600691184.db2.gz AINKFSXXQYNBDF-MJBXVCDLSA-N -1 0 335.469 3.950 20 0 EHADRM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)CCSCC(=O)[O-] ZINC000736723584 600692664 /nfs/dbraw/zinc/69/26/64/600692664.db2.gz HLPAEYXTSVTEKR-CQSZACIVSA-N -1 0 335.469 3.584 20 0 EHADRM CSCc1ccc(-c2nc(-c3cccc(C(=O)[O-])c3)no2)cc1 ZINC000832771070 600693047 /nfs/dbraw/zinc/69/30/47/600693047.db2.gz YMOCXZRMVOUPKZ-UHFFFAOYSA-N -1 0 326.377 3.965 20 0 EHADRM O=C([O-])c1ccc(-c2noc([C@H]3C[C@H]3c3cccc(F)c3F)n2)cc1 ZINC000833309070 600693433 /nfs/dbraw/zinc/69/34/33/600693433.db2.gz XRPZXKHJNXJMDD-STQMWFEESA-N -1 0 342.301 3.984 20 0 EHADRM C[C@H](Cc1cccc(F)c1)c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000827592262 600695093 /nfs/dbraw/zinc/69/50/93/600695093.db2.gz IRYLWDOXKZQMLY-LLVKDONJSA-N -1 0 326.327 3.920 20 0 EHADRM Cc1ccn(-c2ccc(-c3nc(-c4cccc(C(=O)[O-])c4)no3)cc2)n1 ZINC000832983629 600696768 /nfs/dbraw/zinc/69/67/68/600696768.db2.gz LMDXDQCLMGDOHP-UHFFFAOYSA-N -1 0 346.346 3.596 20 0 EHADRM COc1ccc(O[C@H](C)c2nc(-c3cccc(C(=O)[O-])c3)no2)cc1 ZINC000832430726 600698964 /nfs/dbraw/zinc/69/89/64/600698964.db2.gz HLTBOMTWSOLNCZ-LLVKDONJSA-N -1 0 340.335 3.583 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)s1 ZINC000432119578 600699855 /nfs/dbraw/zinc/69/98/55/600699855.db2.gz GVFJFBHJPVEWNW-OIBJUYFYSA-N -1 0 339.775 3.525 20 0 EHADRM Cc1[nH]c(C(=O)Nc2ccc(F)cc2OCC2CC2)c(C)c1C(=O)[O-] ZINC000738157519 600702019 /nfs/dbraw/zinc/70/20/19/600702019.db2.gz SNCZEEZNNXAUIN-UHFFFAOYSA-N -1 0 346.358 3.510 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000827427324 600721541 /nfs/dbraw/zinc/72/15/41/600721541.db2.gz FJXUQYQYHFBDIP-SJKOYZFVSA-N -1 0 348.345 3.903 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000827427111 600721718 /nfs/dbraw/zinc/72/17/18/600721718.db2.gz AXJRMWKGCZMQCT-SJKOYZFVSA-N -1 0 348.345 3.903 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC000827428348 600721866 /nfs/dbraw/zinc/72/18/66/600721866.db2.gz UQFOCJIGSLBLGA-ZDUSSCGKSA-N -1 0 330.355 3.836 20 0 EHADRM Cc1cc(COC(=O)[C@@H](C)CCc2ccccc2F)oc1C(=O)[O-] ZINC000832885330 600722040 /nfs/dbraw/zinc/72/20/40/600722040.db2.gz MNXXAVZXUVJWPI-NSHDSACASA-N -1 0 334.343 3.737 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cccc(-c2cscn2)c1)c1ccccc1 ZINC000833349042 600724086 /nfs/dbraw/zinc/72/40/86/600724086.db2.gz AVDTWLAXQJQJCN-MRXNPFEDSA-N -1 0 339.372 3.793 20 0 EHADRM Cc1ccc(N2CCC[C@@H](Nc3ccc(NC(=O)[O-])cc3)C2=O)cc1 ZINC000832939467 600740867 /nfs/dbraw/zinc/74/08/67/600740867.db2.gz MZSVQGFVPQMRON-QGZVFWFLSA-N -1 0 339.395 3.692 20 0 EHADRM CC(C)COc1ccccc1CN[C@H](C(=O)[O-])c1ccccc1F ZINC000826905786 600741519 /nfs/dbraw/zinc/74/15/19/600741519.db2.gz UHQHUNDUZYRUTC-SFHVURJKSA-N -1 0 331.387 3.776 20 0 EHADRM CCO[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(C(=O)[O-])cc2)C12CCCC2 ZINC000737158826 600743250 /nfs/dbraw/zinc/74/32/50/600743250.db2.gz SNTNVMGPUPYQIY-CVEARBPZSA-N -1 0 346.427 3.586 20 0 EHADRM CC[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC000736939755 600745628 /nfs/dbraw/zinc/74/56/28/600745628.db2.gz FISCBGPAFULPSF-UKRRQHHQSA-N -1 0 334.416 3.630 20 0 EHADRM Cc1ncsc1CN[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000833010170 600748249 /nfs/dbraw/zinc/74/82/49/600748249.db2.gz IKIYALFEJADORA-GFCCVEGCSA-N -1 0 331.224 3.674 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000236737336 600771582 /nfs/dbraw/zinc/77/15/82/600771582.db2.gz ZNUNONDXNVKOTC-CQSZACIVSA-N -1 0 333.453 3.682 20 0 EHADRM Cc1ccc2cccc(C(=O)NCCc3ccc(NC(=O)[O-])cc3)c2n1 ZINC000738675946 600773786 /nfs/dbraw/zinc/77/37/86/600773786.db2.gz WWNAHLDAYDXWTP-UHFFFAOYSA-N -1 0 349.390 3.606 20 0 EHADRM C[C@@H](CC(=O)NC(C)(C)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000736541807 600780048 /nfs/dbraw/zinc/78/00/48/600780048.db2.gz OCQWATNHWNOZDV-JTQLQIEISA-N -1 0 331.334 3.569 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)ccc1F ZINC000776630253 600784489 /nfs/dbraw/zinc/78/44/89/600784489.db2.gz DVDMBJFADMSJKU-OXJNMPFZSA-N -1 0 339.366 3.757 20 0 EHADRM O=C([O-])C[C@H](NC(=O)/C=C\c1cccc(F)c1)c1cccc(Cl)c1 ZINC000776676537 600800450 /nfs/dbraw/zinc/80/04/50/600800450.db2.gz GSYAZJUKYSYUPC-PTZVLDCSSA-N -1 0 347.773 3.825 20 0 EHADRM O=C([O-])c1ccc(O[C@H]2CCCN(c3ccccc3Cl)C2=O)cc1 ZINC000833321562 600801234 /nfs/dbraw/zinc/80/12/34/600801234.db2.gz HMPIFHQGOXFYKV-INIZCTEOSA-N -1 0 345.782 3.613 20 0 EHADRM COc1cc(C)ccc1OCCOc1ccc(C(=O)[O-])cc1Cl ZINC000831973055 600801593 /nfs/dbraw/zinc/80/15/93/600801593.db2.gz YRUUKALPHVGGJJ-UHFFFAOYSA-N -1 0 336.771 3.813 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000776673188 600803882 /nfs/dbraw/zinc/80/38/82/600803882.db2.gz MWWFCOHYILCTPA-AWEZNQCLSA-N -1 0 338.190 3.939 20 0 EHADRM Cc1cccc(CCC(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000776678760 600804322 /nfs/dbraw/zinc/80/43/22/600804322.db2.gz SBYQGHCZGOZELT-KRWDZBQOSA-N -1 0 345.826 3.913 20 0 EHADRM Cc1ccc2cccc(-c3nc(-c4ccc(C(=O)[O-])cc4)no3)c2n1 ZINC000738674863 600815963 /nfs/dbraw/zinc/81/59/63/600815963.db2.gz DBPXSYYXLCWCTQ-UHFFFAOYSA-N -1 0 331.331 3.958 20 0 EHADRM CC(C)C[C@H](CNc1nc(C(F)(F)F)nc2ccccc21)C(=O)[O-] ZINC000826786450 600817205 /nfs/dbraw/zinc/81/72/05/600817205.db2.gz NKQOZEPLPFIRJQ-SNVBAGLBSA-N -1 0 341.333 3.807 20 0 EHADRM CC[C@H]1CO[C@H](C)CN1Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000577856933 600818007 /nfs/dbraw/zinc/81/80/07/600818007.db2.gz KJAWPJRRUZFZKP-WBMJQRKESA-N -1 0 346.452 3.508 20 0 EHADRM C[C@H](c1ccc(C(=O)[O-])o1)N(C)Cc1csc(Br)c1 ZINC000091781405 600820666 /nfs/dbraw/zinc/82/06/66/600820666.db2.gz QLHVNPDCBPKSTK-MRVPVSSYSA-N -1 0 344.230 3.995 20 0 EHADRM O=C([O-])c1cc(NCCC2CC2)c2cc(Br)ccc2n1 ZINC000833300828 600823649 /nfs/dbraw/zinc/82/36/49/600823649.db2.gz RKMPOZALXZCPOI-UHFFFAOYSA-N -1 0 335.201 3.908 20 0 EHADRM C[C@@H]1CCC[C@@H](C(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)C1 ZINC000736774475 600827601 /nfs/dbraw/zinc/82/76/01/600827601.db2.gz ILRZBMQBOSOTDE-NXEZZACHSA-N -1 0 333.413 3.601 20 0 EHADRM CC[C@H]1CN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C[C@H](C)O1 ZINC000829151465 600828849 /nfs/dbraw/zinc/82/88/49/600828849.db2.gz RWMVUHROKYITED-LRDDRELGSA-N -1 0 346.452 3.508 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000737874442 600830109 /nfs/dbraw/zinc/83/01/09/600830109.db2.gz USZXXFUVJJFGKM-CABXGAGESA-N -1 0 344.407 3.915 20 0 EHADRM O=C([O-])[C@H](Sc1n[nH]c(-c2ccccc2F)n1)c1ccccc1F ZINC000833170236 600833267 /nfs/dbraw/zinc/83/32/67/600833267.db2.gz OVMLKZYXPDAVIH-CYBMUJFWSA-N -1 0 347.346 3.668 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CN1C[C@@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000566361308 600834726 /nfs/dbraw/zinc/83/47/26/600834726.db2.gz IACBWLLVBZTAIH-KUHUBIRLSA-N -1 0 343.423 3.865 20 0 EHADRM CC/C(=C/C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c1ccc(C)cc1 ZINC000736835592 600838913 /nfs/dbraw/zinc/83/89/13/600838913.db2.gz ODMZFFOLCTWIKD-FCUDFIOSSA-N -1 0 337.419 3.601 20 0 EHADRM CC/C(=C/C(=O)N(C)c1nc(CC(=O)[O-])cs1)c1ccc(C)cc1 ZINC000736836159 600842883 /nfs/dbraw/zinc/84/28/83/600842883.db2.gz PZMHFDMPLBHCQO-LCYFTJDESA-N -1 0 344.436 3.535 20 0 EHADRM CC(C)[C@@H](C)SCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000826680627 600843130 /nfs/dbraw/zinc/84/31/30/600843130.db2.gz IPKNEQXSIGCHJH-SECBINFHSA-N -1 0 327.471 3.651 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)/C=C\c2ccc(Cl)cc2)c2ccccc21 ZINC000325332672 600847286 /nfs/dbraw/zinc/84/72/86/600847286.db2.gz ZZZGOEKWHQUBAQ-JKEYDSJLSA-N -1 0 341.794 3.958 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)Cc2cc3ccccc3o2)c2ccccc21 ZINC000739646952 600849849 /nfs/dbraw/zinc/84/98/49/600849849.db2.gz QRASZOKYYJMHFW-AWEZNQCLSA-N -1 0 335.359 3.580 20 0 EHADRM COc1ccc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c(Cl)c1 ZINC000737920917 600850864 /nfs/dbraw/zinc/85/08/64/600850864.db2.gz OUBNPLNGFIRXME-LLVKDONJSA-N -1 0 345.782 3.567 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000262303061 600853457 /nfs/dbraw/zinc/85/34/57/600853457.db2.gz QUAXWGSTOMWWBV-ZDUSSCGKSA-N -1 0 329.371 3.660 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)/C=C\Sc2ccccc2)c2ccccc21 ZINC000739640704 600860939 /nfs/dbraw/zinc/86/09/39/600860939.db2.gz GUGQNBBFHHKWMY-BMSUMIBZSA-N -1 0 339.416 3.898 20 0 EHADRM C/C(=C\C(=O)NC1(C(=O)[O-])CCCC1)c1cccc(C(F)(F)F)c1 ZINC000766845365 600866603 /nfs/dbraw/zinc/86/66/03/600866603.db2.gz KTZPMRQHTOFNCQ-PKNBQFBNSA-N -1 0 341.329 3.622 20 0 EHADRM C[C@@H](CC(=O)Nc1cc(C(=O)[O-])c(F)cc1Br)C1CC1 ZINC000736547921 600867537 /nfs/dbraw/zinc/86/75/37/600867537.db2.gz GJSHIKSJADWRKK-ZETCQYMHSA-N -1 0 344.180 3.661 20 0 EHADRM C[C@H](C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br)C(C)(C)C ZINC000736217123 600868280 /nfs/dbraw/zinc/86/82/80/600868280.db2.gz VHOIHQHYVBBBCK-SSDOTTSWSA-N -1 0 346.196 3.907 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)o2)cc1 ZINC000830229228 600869941 /nfs/dbraw/zinc/86/99/41/600869941.db2.gz NCUOELNEPHUGLS-SJCJKPOMSA-N -1 0 329.396 3.738 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1C[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000736775861 600870369 /nfs/dbraw/zinc/87/03/69/600870369.db2.gz SYJRGZGEGQXSSB-RDBSUJKOSA-N -1 0 335.469 3.903 20 0 EHADRM CCc1oc2ccccc2c1CN(C)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000183970509 600873745 /nfs/dbraw/zinc/87/37/45/600873745.db2.gz KHQSLPUIBAYYLC-KBPBESRZSA-N -1 0 343.423 3.845 20 0 EHADRM Cc1ccc(C2=CCN(C(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)CC2)cc1 ZINC000832930793 600875248 /nfs/dbraw/zinc/87/52/48/600875248.db2.gz RZZBJAFYVUZKNZ-ROUUACIJSA-N -1 0 327.424 3.502 20 0 EHADRM Cc1ccc(C2=CCN(C(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)CC2)cc1 ZINC000832930794 600875449 /nfs/dbraw/zinc/87/54/49/600875449.db2.gz RZZBJAFYVUZKNZ-ZWKOTPCHSA-N -1 0 327.424 3.502 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)c1OC ZINC000675998507 600876004 /nfs/dbraw/zinc/87/60/04/600876004.db2.gz UAJFFXAHVAAJDA-WFASDCNBSA-N -1 0 347.411 3.579 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000261908399 600876564 /nfs/dbraw/zinc/87/65/64/600876564.db2.gz GCUBMGJGMGXUFR-GHJWDPDVSA-N -1 0 337.391 3.836 20 0 EHADRM CO[C@](C)(C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1ccccc1 ZINC000262704849 600878137 /nfs/dbraw/zinc/87/81/37/600878137.db2.gz CZUZPCKOKSEFLU-FQEVSTJZSA-N -1 0 341.407 3.549 20 0 EHADRM C[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c2ccccc2S1 ZINC000828279258 600878820 /nfs/dbraw/zinc/87/88/20/600878820.db2.gz VQFWIHHQIHQREX-HZSPNIEDSA-N -1 0 333.453 3.795 20 0 EHADRM O=C([O-])C1CCC(NC(=O)C2CCC(c3ccccc3)CC2)CC1 ZINC000262420455 600879606 /nfs/dbraw/zinc/87/96/06/600879606.db2.gz BEBIEEXHIPMYEL-UHFFFAOYSA-N -1 0 329.440 3.720 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000262402502 600879929 /nfs/dbraw/zinc/87/99/29/600879929.db2.gz AHSXUGVSAVCBNQ-MRXNPFEDSA-N -1 0 333.428 3.725 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c(Cl)c1 ZINC000737929586 600880747 /nfs/dbraw/zinc/88/07/47/600880747.db2.gz IUVUACYMZCJKIQ-UHFFFAOYSA-N -1 0 347.798 3.963 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2cc(Cl)cc3cccnc32)C1 ZINC000323486261 600881846 /nfs/dbraw/zinc/88/18/46/600881846.db2.gz QXAMNUNNGYSJDK-RYUDHWBXSA-N -1 0 332.787 3.718 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)/C=C/c2ccccc2F)cc1 ZINC000391755045 600883296 /nfs/dbraw/zinc/88/32/96/600883296.db2.gz RAIMPPASLXDWAR-KPKJPENVSA-N -1 0 327.355 3.840 20 0 EHADRM CCO[C@@H](C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1ccccc1 ZINC000262159514 600883507 /nfs/dbraw/zinc/88/35/07/600883507.db2.gz MUCREFFYXOISTP-QGZVFWFLSA-N -1 0 341.407 3.765 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000829004154 600883817 /nfs/dbraw/zinc/88/38/17/600883817.db2.gz AZSJFZSFXUOOJJ-DEICHXMPSA-N -1 0 345.439 3.575 20 0 EHADRM CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(C(=O)[O-])cc2)C12CCCCC2 ZINC000236980189 600884663 /nfs/dbraw/zinc/88/46/63/600884663.db2.gz HKSXDCXDCALYOR-IRXDYDNUSA-N -1 0 345.439 3.585 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2c[nH]nc2-c2ccccc2)cc1Cl ZINC000324549592 600888771 /nfs/dbraw/zinc/88/87/71/600888771.db2.gz VLXGYBBJJQKURF-UHFFFAOYSA-N -1 0 341.754 3.681 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ncc(Cc3ccccc3)s2)C1 ZINC000833189988 600894536 /nfs/dbraw/zinc/89/45/36/600894536.db2.gz VMQKYHVKLCHFNQ-ZIAGYGMSSA-N -1 0 344.436 3.563 20 0 EHADRM O=C([O-])c1ccoc1CSc1ccccc1C(=O)NCCC1CC1 ZINC000263308440 600901876 /nfs/dbraw/zinc/90/18/76/600901876.db2.gz WMZFUXXATZOIBQ-UHFFFAOYSA-N -1 0 345.420 3.800 20 0 EHADRM C[C@@H](C(=O)NCc1c2ccccc2sc1C(=O)[O-])c1ccco1 ZINC000736213447 600905187 /nfs/dbraw/zinc/90/51/87/600905187.db2.gz DEGXINLYLXEZQJ-SNVBAGLBSA-N -1 0 329.377 3.612 20 0 EHADRM CCCC(=O)Nc1cccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1C ZINC000829183999 600911277 /nfs/dbraw/zinc/91/12/77/600911277.db2.gz DUFCGJSWOOGHFB-ZIAGYGMSSA-N -1 0 346.427 3.563 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(C(=O)[O-])s1)C(C)(C)c1ccccc1 ZINC000236962764 600912239 /nfs/dbraw/zinc/91/22/39/600912239.db2.gz WSRAWVWCXNMTMC-OAHLLOKOSA-N -1 0 331.437 3.933 20 0 EHADRM CC[C@H](NC(=O)c1ccc(C(=O)[O-])s1)C(C)(C)c1ccccc1 ZINC000237050356 600912408 /nfs/dbraw/zinc/91/24/08/600912408.db2.gz WSRAWVWCXNMTMC-HNNXBMFYSA-N -1 0 331.437 3.933 20 0 EHADRM CC(C)C[C@H](CNC(=O)CCSc1ccc(Cl)cc1)C(=O)[O-] ZINC000316365339 600918809 /nfs/dbraw/zinc/91/88/09/600918809.db2.gz ASSPAFGUTWBPAM-GFCCVEGCSA-N -1 0 343.876 3.685 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)NC(CC)(CC)C(=O)[O-] ZINC000808520797 600924619 /nfs/dbraw/zinc/92/46/19/600924619.db2.gz YGYMMQPOJDMXLF-DINCDJDBSA-N -1 0 333.428 3.637 20 0 EHADRM CCC(CC)(NC(=O)[C@H](C)Sc1ccccc1Cl)C(=O)[O-] ZINC000342569338 600925115 /nfs/dbraw/zinc/92/51/15/600925115.db2.gz POXRFDKGAAPGRG-JTQLQIEISA-N -1 0 329.849 3.580 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)CNc2cccc(Cl)c2)cc1 ZINC000736228163 600933377 /nfs/dbraw/zinc/93/33/77/600933377.db2.gz MTVJJGLDDJCQMI-UHFFFAOYSA-N -1 0 346.814 3.753 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)N3Cc4ccc(C(=O)[O-])cc4C3)c2c1 ZINC000832958805 600937723 /nfs/dbraw/zinc/93/77/23/600937723.db2.gz KKZAAQSODWIUSQ-UHFFFAOYSA-N -1 0 348.402 3.650 20 0 EHADRM O=C([O-])CCN(C(=O)CCSc1ccccc1)c1cccc(F)c1 ZINC000739711518 600939808 /nfs/dbraw/zinc/93/98/08/600939808.db2.gz MLECAWAAWLPATI-UHFFFAOYSA-N -1 0 347.411 3.816 20 0 EHADRM COC(=O)c1cc(NC(=O)c2cccc3ccccc32)ccc1C(=O)[O-] ZINC000831310354 600940714 /nfs/dbraw/zinc/94/07/14/600940714.db2.gz WYRDDIYXJULQAZ-UHFFFAOYSA-N -1 0 349.342 3.577 20 0 EHADRM Cc1ccc(CCCC(=O)N(CCC(=O)[O-])c2cccc(F)c2)cc1 ZINC000738588867 600940795 /nfs/dbraw/zinc/94/07/95/600940795.db2.gz IMJNJPOQBRYGHP-UHFFFAOYSA-N -1 0 343.398 3.965 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccnc(Oc3ccccc3)c2)C1 ZINC000833188578 600948630 /nfs/dbraw/zinc/94/86/30/600948630.db2.gz ZKMVMTSVFTXVET-UONOGXRCSA-N -1 0 340.379 3.703 20 0 EHADRM CC(C)C[C@H](OC(=O)[C@H](C)Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000826813402 600948994 /nfs/dbraw/zinc/94/89/94/600948994.db2.gz OLKNRXUQZGKBPH-GWCFXTLKSA-N -1 0 330.833 3.863 20 0 EHADRM CC(C)C[C@@H](OC(=O)CCC(=O)c1ccc2c(c1)CCCC2)C(=O)[O-] ZINC000826813363 600949059 /nfs/dbraw/zinc/94/90/59/600949059.db2.gz OFBDPPQTSLJCKD-GOSISDBHSA-N -1 0 346.423 3.571 20 0 EHADRM Cc1ccc([C@@H]2CSCCN2C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000180011106 600956733 /nfs/dbraw/zinc/95/67/33/600956733.db2.gz JPBGEORKBWFGJL-ULQDDVLXSA-N -1 0 347.480 3.503 20 0 EHADRM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000647160649 600956992 /nfs/dbraw/zinc/95/69/92/600956992.db2.gz VZGWJESKOBCPJE-SQWLQELKSA-N -1 0 337.847 3.668 20 0 EHADRM CC(C)c1ccc(CCCNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000498614990 600957687 /nfs/dbraw/zinc/95/76/87/600957687.db2.gz HSOXLAHUVKCQAG-ZWKOTPCHSA-N -1 0 331.456 3.750 20 0 EHADRM O=C([O-])C[C@@H]1CN(Cc2ncc(-c3ccccc3)o2)c2ccccc21 ZINC000327162418 600958876 /nfs/dbraw/zinc/95/88/76/600958876.db2.gz IGCTVCBWKLJKKE-OAHLLOKOSA-N -1 0 334.375 3.920 20 0 EHADRM CCO[C@@H]1C[C@@H](OC(=O)c2cccc(C(=O)[O-])c2)C12CCCCC2 ZINC000829931939 600960948 /nfs/dbraw/zinc/96/09/48/600960948.db2.gz YFEJBFWTHBDTNQ-HZPDHXFCSA-N -1 0 332.396 3.670 20 0 EHADRM O=C([O-])C[C@@H]1CN(Cc2cc(-c3ccccc3)no2)c2ccccc21 ZINC000327511024 600962246 /nfs/dbraw/zinc/96/22/46/600962246.db2.gz GNNYNJDRUIDCAJ-OAHLLOKOSA-N -1 0 334.375 3.920 20 0 EHADRM Cc1ccc([C@H]2CCCCN2Cc2noc(CCCC(=O)[O-])n2)cc1 ZINC000652413715 600968346 /nfs/dbraw/zinc/96/83/46/600968346.db2.gz FQVXJHXUELLZLF-MRXNPFEDSA-N -1 0 343.427 3.513 20 0 EHADRM COc1ccc(Cl)c(NC(=S)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000832362675 600969800 /nfs/dbraw/zinc/96/98/00/600969800.db2.gz OQAXLCVJUATASG-UHFFFAOYSA-N -1 0 336.800 3.856 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000833299107 600971231 /nfs/dbraw/zinc/97/12/31/600971231.db2.gz LVSOGBPTLZRPCQ-OXJNMPFZSA-N -1 0 339.366 3.757 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)c1cccc(-c2cscn2)c1 ZINC000833158806 600971319 /nfs/dbraw/zinc/97/13/19/600971319.db2.gz YGKJGWJFHOEWBG-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM C[C@H](c1ccc(C(=O)[O-])o1)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000652423578 600971628 /nfs/dbraw/zinc/97/16/28/600971628.db2.gz JPCLNHGWNCDYRF-QFSBIZTOSA-N -1 0 333.359 3.640 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(OC)cc1C(=O)[O-] ZINC000829009326 600972499 /nfs/dbraw/zinc/97/24/99/600972499.db2.gz BHYAKNZBBLUNPG-MRRJBJDNSA-N -1 0 349.427 3.706 20 0 EHADRM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000832931282 600974021 /nfs/dbraw/zinc/97/40/21/600974021.db2.gz VQWBATGVINQOIQ-XWSJACJDSA-N -1 0 343.467 3.981 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CC[C@H](CSc3ccccc3)C2)C1 ZINC000245700214 600975268 /nfs/dbraw/zinc/97/52/68/600975268.db2.gz LOIJUUXDGQITOU-ARFHVFGLSA-N -1 0 347.480 3.518 20 0 EHADRM CCCn1ccc2ccc(NC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)cc21 ZINC000829585455 600978705 /nfs/dbraw/zinc/97/87/05/600978705.db2.gz XZAKLRJDHLATAV-LSDHHAIUSA-N -1 0 328.412 3.881 20 0 EHADRM CC[C@@H](Sc1n[nH]c(-c2cc(Cl)cc(Cl)c2)n1)C(=O)[O-] ZINC000736930316 600987045 /nfs/dbraw/zinc/98/70/45/600987045.db2.gz ZKNVFVYSDIYUCC-SECBINFHSA-N -1 0 332.212 3.734 20 0 EHADRM O=C([O-])c1occc1CSc1n[nH]c(-c2ccc3c(c2)CCC3)n1 ZINC000740279810 600992798 /nfs/dbraw/zinc/99/27/98/600992798.db2.gz PGDFXHZUMQAXON-UHFFFAOYSA-N -1 0 341.392 3.544 20 0 EHADRM Cc1ccc(CC[C@@H](C)NC(=O)Nc2cc(C(=O)[O-])ccc2C)o1 ZINC000832930902 600997403 /nfs/dbraw/zinc/99/74/03/600997403.db2.gz SHLUCYQRFOJHRW-GFCCVEGCSA-N -1 0 330.384 3.737 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CC[C@H](Cc2ccccc2)C1 ZINC000832914895 600998496 /nfs/dbraw/zinc/99/84/96/600998496.db2.gz CDOKRWGHQMLSGJ-MRXNPFEDSA-N -1 0 338.407 3.790 20 0 EHADRM O=C([O-])[C@@H](NCc1coc(-c2ccccc2)n1)c1cc(F)ccc1F ZINC000683173271 600998757 /nfs/dbraw/zinc/99/87/57/600998757.db2.gz JTOOLPCWDHJYIS-INIZCTEOSA-N -1 0 344.317 3.535 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Nc2nc3c(s2)CCC3)cc1 ZINC000391659814 600998971 /nfs/dbraw/zinc/99/89/71/600998971.db2.gz DJJHGKAAVURSMH-UHFFFAOYSA-N -1 0 345.424 3.638 20 0 EHADRM O=C([O-])c1cncc(NCCC(c2ccccc2)c2ccccc2)n1 ZINC000833341288 600999323 /nfs/dbraw/zinc/99/93/23/600999323.db2.gz MXIIONVIGQFWAP-UHFFFAOYSA-N -1 0 333.391 3.809 20 0 EHADRM C[C@@H](C(=O)N1CCCc2c(C(=O)[O-])cccc21)c1cccc(F)c1 ZINC000736205492 600999581 /nfs/dbraw/zinc/99/95/81/600999581.db2.gz QBDQMNBJSNZTFF-GFCCVEGCSA-N -1 0 327.355 3.607 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CCSc2ccccc21)c1cccs1 ZINC000739626872 601000017 /nfs/dbraw/zinc/00/00/17/601000017.db2.gz LLZHYXJMFGXSJZ-OLZOCXBDSA-N -1 0 347.461 3.660 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000262672541 601000448 /nfs/dbraw/zinc/00/04/48/601000448.db2.gz PXVDGCDDAGBXHW-MJBXVCDLSA-N -1 0 342.222 3.563 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Nc2c(F)cccc2NC2CC2)cc1 ZINC000833102245 601001683 /nfs/dbraw/zinc/00/16/83/601001683.db2.gz OXOMDBDITFXKAB-UHFFFAOYSA-N -1 0 342.370 3.670 20 0 EHADRM CCC[C@](C)(NC(=O)[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000736955003 601002297 /nfs/dbraw/zinc/00/22/97/601002297.db2.gz WMVDXJQGUDJPSG-BONVTDFDSA-N -1 0 331.334 3.569 20 0 EHADRM CCCc1ncc(C(=O)Oc2ccc(Cl)cc2C(=O)[O-])s1 ZINC000737046902 601003645 /nfs/dbraw/zinc/00/36/45/601003645.db2.gz MCKUTQSSAMOJEI-UHFFFAOYSA-N -1 0 325.773 3.666 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2)C1 ZINC000128537229 601007579 /nfs/dbraw/zinc/00/75/79/601007579.db2.gz BSWLWKTYOVBFFS-AWEZNQCLSA-N -1 0 341.432 3.775 20 0 EHADRM CC(C)(C)c1cc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)no1 ZINC000262396744 601009317 /nfs/dbraw/zinc/00/93/17/601009317.db2.gz LOUIRPXOIKAQSI-UHFFFAOYSA-N -1 0 348.424 3.542 20 0 EHADRM CC[C@]1(C)CCCN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000829044493 601012370 /nfs/dbraw/zinc/01/23/70/601012370.db2.gz QOMGTRKZPFNEDP-MRXNPFEDSA-N -1 0 326.343 3.707 20 0 EHADRM CSc1ccc(OCCN2C[C@@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000832785770 601017697 /nfs/dbraw/zinc/01/76/97/601017697.db2.gz POMLBYYKKIYHPZ-CQSZACIVSA-N -1 0 343.448 3.866 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)c1ccc(Oc2ccccc2)nc1 ZINC000739894943 601022336 /nfs/dbraw/zinc/02/23/36/601022336.db2.gz DIWKVDSHPCQVNJ-UHFFFAOYSA-N -1 0 349.342 3.720 20 0 EHADRM CCCCS[C@@H](C)C(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC000737000849 601028214 /nfs/dbraw/zinc/02/82/14/601028214.db2.gz FDLYXAOYFAVMTJ-LBPRGKRZSA-N -1 0 327.421 3.555 20 0 EHADRM CC[C@](C)(NC(=O)Nc1ccc(CC(=O)[O-])cc1)c1nc(C)cs1 ZINC000828686295 601032609 /nfs/dbraw/zinc/03/26/09/601032609.db2.gz YTZVJJYMSYCQCL-KRWDZBQOSA-N -1 0 347.440 3.526 20 0 EHADRM CC[C@]1(C)CCCN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC000829043833 601035203 /nfs/dbraw/zinc/03/52/03/601035203.db2.gz GBJRWQVHQKEBAH-GOSISDBHSA-N -1 0 334.416 3.584 20 0 EHADRM C[C@@H](CC(=O)N(c1ncc(C(=O)[O-])s1)C1CC1)c1ccccc1 ZINC000736545067 601041114 /nfs/dbraw/zinc/04/11/14/601041114.db2.gz OKOGHPMXNRJNLA-NSHDSACASA-N -1 0 330.409 3.531 20 0 EHADRM CC[C@@]1(C)CCCN(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C1 ZINC000829043552 601051764 /nfs/dbraw/zinc/05/17/64/601051764.db2.gz AGKMRQKSVUSKNI-SFHVURJKSA-N -1 0 333.432 3.840 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H]2C[C@@H]2Cc2ccccc2)cc1Cl ZINC000833153936 601055877 /nfs/dbraw/zinc/05/58/77/601055877.db2.gz SCJXHAHAKUPABS-LRDDRELGSA-N -1 0 344.798 3.791 20 0 EHADRM CSc1ccc(F)cc1CNC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000832781552 601056542 /nfs/dbraw/zinc/05/65/42/601056542.db2.gz WWQYSDDJMBNISH-UHFFFAOYSA-N -1 0 334.372 3.568 20 0 EHADRM C[C@@H](C(=O)N1CCC(CC(=O)[O-])CC1)c1ccccc1C(F)(F)F ZINC000736205050 601057281 /nfs/dbraw/zinc/05/72/81/601057281.db2.gz MNHOQZDWICQTDW-LLVKDONJSA-N -1 0 343.345 3.522 20 0 EHADRM Cc1ccc(CCC(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)o1 ZINC000236623002 601057681 /nfs/dbraw/zinc/05/76/81/601057681.db2.gz DUAWKUCCFQCZTJ-UHFFFAOYSA-N -1 0 331.368 3.645 20 0 EHADRM O=C([O-])CNC(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1 ZINC000427321758 601057957 /nfs/dbraw/zinc/05/79/57/601057957.db2.gz CSYOUVDLQVKEJN-UHFFFAOYSA-N -1 0 340.162 3.600 20 0 EHADRM Cc1cc(C(=O)O[C@H](C(=O)[O-])c2ccccc2F)c2ccccc2n1 ZINC000832868409 601058338 /nfs/dbraw/zinc/05/83/38/601058338.db2.gz LKSRLIHRMGCKFZ-KRWDZBQOSA-N -1 0 339.322 3.665 20 0 EHADRM C[C@@H](CCOc1ccccc1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000237578938 601058772 /nfs/dbraw/zinc/05/87/72/601058772.db2.gz JZQMZXZTEVKYFT-LBPRGKRZSA-N -1 0 331.343 3.568 20 0 EHADRM C[C@H](C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c1ccc(Cl)c(Cl)c1 ZINC000675987269 601059203 /nfs/dbraw/zinc/05/92/03/601059203.db2.gz VJEIUYVSTRHCTR-UFBFGSQYSA-N -1 0 332.227 3.712 20 0 EHADRM Cc1ccc2c(CCC(=O)Nc3cc(C(=O)[O-])ccc3F)c[nH]c2c1 ZINC000832959506 601059213 /nfs/dbraw/zinc/05/92/13/601059213.db2.gz GSZGWXYSFXIKPB-UHFFFAOYSA-N -1 0 340.354 3.885 20 0 EHADRM COc1ccc2sc(C(=O)NC(C)(C)CCC(=O)[O-])c(C)c2c1 ZINC000237343842 601061040 /nfs/dbraw/zinc/06/10/40/601061040.db2.gz IKWZATICBZYYJN-UHFFFAOYSA-N -1 0 335.425 3.592 20 0 EHADRM O=C([O-])[C@@H](OC(=O)Cc1cccs1)c1ccc(Cl)cc1Cl ZINC000833118114 601062997 /nfs/dbraw/zinc/06/29/97/601062997.db2.gz JXASXBSEPKTCIJ-ZDUSSCGKSA-N -1 0 345.203 3.967 20 0 EHADRM Cc1cccc(C)c1NCC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000738690832 601063802 /nfs/dbraw/zinc/06/38/02/601063802.db2.gz YDDLWOYWFKBWMD-UHFFFAOYSA-N -1 0 340.423 3.716 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)Nc2cccc(C)c2C)c1OC ZINC000831908036 601076683 /nfs/dbraw/zinc/07/66/83/601076683.db2.gz AAZDYWVEBQJPSS-UHFFFAOYSA-N -1 0 344.367 3.663 20 0 EHADRM C[C@H](CC(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1)n1cccc1 ZINC000827240780 601078464 /nfs/dbraw/zinc/07/84/64/601078464.db2.gz NVDHVWXGCKCJLX-SNVBAGLBSA-N -1 0 335.429 3.530 20 0 EHADRM CSCc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)ccc1F ZINC000237382442 601080255 /nfs/dbraw/zinc/08/02/55/601080255.db2.gz RFHCMSYVPQOEQI-INIZCTEOSA-N -1 0 347.411 3.635 20 0 EHADRM CCOc1cccc(C(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c1 ZINC000830099498 601080402 /nfs/dbraw/zinc/08/04/02/601080402.db2.gz GNDUJFSPEJGXRM-SJLPKXTDSA-N -1 0 345.439 3.581 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)[C@H]1CCc2ccccc21 ZINC000833176106 601080683 /nfs/dbraw/zinc/08/06/83/601080683.db2.gz AUQSUNUTROAJOG-NEWSRXKRSA-N -1 0 341.451 3.598 20 0 EHADRM C[C@H](C(=O)N1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-])c1cccc(F)c1 ZINC000825977217 601082184 /nfs/dbraw/zinc/08/21/84/601082184.db2.gz AWYLDSBPEYSYAS-QANKJYHBSA-N -1 0 347.430 3.811 20 0 EHADRM Cc1[nH]c(C(=O)N2C[C@H](C)C[C@@H]2c2cccc(F)c2)c(C)c1C(=O)[O-] ZINC000738162639 601085986 /nfs/dbraw/zinc/08/59/86/601085986.db2.gz WZKZXWNSQNXUAP-MEBBXXQBSA-N -1 0 344.386 3.692 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)CCc1ccsc1 ZINC000621581739 601086835 /nfs/dbraw/zinc/08/68/35/601086835.db2.gz ZFMRNQMGZLCWEB-HZPDHXFCSA-N -1 0 335.469 3.563 20 0 EHADRM C[C@@H](c1ccco1)N(C)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000827956144 601087710 /nfs/dbraw/zinc/08/77/10/601087710.db2.gz FYGOYEVLTLBODZ-LBPRGKRZSA-N -1 0 330.384 3.867 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000327216078 601091340 /nfs/dbraw/zinc/09/13/40/601091340.db2.gz SQVTXGWXBRTFST-DLBZAZTESA-N -1 0 338.407 3.726 20 0 EHADRM C[C@H]1CC(NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C[C@H](C)C1 ZINC000391755393 601091530 /nfs/dbraw/zinc/09/15/30/601091530.db2.gz BRXCEKFBKOHKLG-CHWSQXEVSA-N -1 0 332.444 3.995 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1ccccc1 ZINC000325324537 601092663 /nfs/dbraw/zinc/09/26/63/601092663.db2.gz FCUHLEIJNGQDPP-CYBMUJFWSA-N -1 0 326.396 3.932 20 0 EHADRM CCc1[nH]c(C(=O)Nc2ccc(F)cc2NC(C)C)c(C)c1C(=O)[O-] ZINC000737245578 601093557 /nfs/dbraw/zinc/09/35/57/601093557.db2.gz KQAPZTKPRHMGHG-UHFFFAOYSA-N -1 0 347.390 3.795 20 0 EHADRM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccccc1NC(=O)[O-] ZINC000828148659 601108142 /nfs/dbraw/zinc/10/81/42/601108142.db2.gz CJNYMZIWGRCZSP-GOEBONIOSA-N -1 0 338.407 3.870 20 0 EHADRM O=C([O-])[C@@H](OC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1F ZINC000833349328 601112097 /nfs/dbraw/zinc/11/20/97/601112097.db2.gz BTEWIMBXABMVDG-CWSCBRNRSA-N -1 0 348.292 3.863 20 0 EHADRM C/C(=C/C(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1)C1CC1 ZINC000825724324 601114888 /nfs/dbraw/zinc/11/48/88/601114888.db2.gz MHVHYFSWSBNWOP-XFFZJAGNSA-N -1 0 343.404 3.908 20 0 EHADRM CCOc1ccc(CCC(=O)O[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000830071464 601117792 /nfs/dbraw/zinc/11/77/92/601117792.db2.gz XPVHPKNNBVONJF-GOSISDBHSA-N -1 0 346.354 3.526 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)OCc1cc(Cl)ccc1Cl ZINC000826806456 601120733 /nfs/dbraw/zinc/12/07/33/601120733.db2.gz GOUDLXIJPPYIJN-LBPRGKRZSA-N -1 0 334.199 3.719 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N[C@H]2CCCc3[nH]ccc32)c1 ZINC000833154555 601131935 /nfs/dbraw/zinc/13/19/35/601131935.db2.gz WZIGQJDDOFPHCW-AWEZNQCLSA-N -1 0 333.775 3.565 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2ccc(Oc3ccccc3)o2)cc1 ZINC000238133493 601134112 /nfs/dbraw/zinc/13/41/12/601134112.db2.gz RRCMWRBDDHXDQC-UHFFFAOYSA-N -1 0 337.331 3.700 20 0 EHADRM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000542504728 601135169 /nfs/dbraw/zinc/13/51/69/601135169.db2.gz VJAATCWUMANXSX-OAHLLOKOSA-N -1 0 347.798 3.763 20 0 EHADRM Cc1cc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c(F)cc1F ZINC000317972787 601138137 /nfs/dbraw/zinc/13/81/37/601138137.db2.gz KJCDALRYMQPXEZ-UHFFFAOYSA-N -1 0 325.698 3.877 20 0 EHADRM Cc1ccc(NC(=O)N2CCC(OC3CCCC3)CC2)cc1C(=O)[O-] ZINC000832946454 601139131 /nfs/dbraw/zinc/13/91/31/601139131.db2.gz XUXKEVPYPPYKNM-UHFFFAOYSA-N -1 0 346.427 3.649 20 0 EHADRM Cc1csc(C(C)(C)NC(=O)Nc2ccc(C)c(C(=O)[O-])c2)n1 ZINC000832988667 601143776 /nfs/dbraw/zinc/14/37/76/601143776.db2.gz CUEJJSGJPAAIFU-UHFFFAOYSA-N -1 0 333.413 3.515 20 0 EHADRM Cc1ccc(NC(=O)NC[C@@H]2CCCO[C@H]2C(C)(C)C)cc1C(=O)[O-] ZINC000832944846 601144428 /nfs/dbraw/zinc/14/44/28/601144428.db2.gz MDTMWTGNFAZSAQ-XJKSGUPXSA-N -1 0 348.443 3.656 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2nc3ccc(Cl)cc3s2)C1 ZINC000316080578 601146182 /nfs/dbraw/zinc/14/61/82/601146182.db2.gz QLMSPUASZIGULX-RKDXNWHRSA-N -1 0 338.816 3.779 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2cccc(C(F)(F)F)c2F)c1 ZINC000238106773 601148343 /nfs/dbraw/zinc/14/83/43/601148343.db2.gz KZGHUPSOAMCXBI-UHFFFAOYSA-N -1 0 345.223 3.934 20 0 EHADRM Cc1ccc(CCCC(=O)N2CCc3cc(C(=O)[O-])ccc32)s1 ZINC000776595532 601148860 /nfs/dbraw/zinc/14/88/60/601148860.db2.gz MZVZKIGPAGLKBJ-UHFFFAOYSA-N -1 0 329.421 3.667 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1ccc(OC(C)(C)C)cc1 ZINC000237058973 601149409 /nfs/dbraw/zinc/14/94/09/601149409.db2.gz QCBCKSWIGVOYKN-UHFFFAOYSA-N -1 0 341.407 3.834 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N2CCCc3cc(Cl)cc(F)c32)C1 ZINC000833184379 601156149 /nfs/dbraw/zinc/15/61/49/601156149.db2.gz GBTHSRJODBCRKG-RYUDHWBXSA-N -1 0 339.794 3.649 20 0 EHADRM CCc1nc(C)c([C@H](C)OC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)s1 ZINC000830309910 601158805 /nfs/dbraw/zinc/15/88/05/601158805.db2.gz RVDQHLOZHZUKNC-SRVKXCTJSA-N -1 0 325.430 3.509 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1ccc(-c2ccccc2)[nH]1)c1ccccc1 ZINC000178174206 601163385 /nfs/dbraw/zinc/16/33/85/601163385.db2.gz HNRUYHLTULFADV-LIRRHRJNSA-N -1 0 348.402 3.874 20 0 EHADRM C[C@@H]1Sc2ccccc2N(C(=O)c2ccc(C(=O)[O-])cc2)[C@H]1C ZINC000828521230 601173762 /nfs/dbraw/zinc/17/37/62/601173762.db2.gz IZPFDSIZYLPXGS-RYUDHWBXSA-N -1 0 327.405 3.914 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cc(F)c(F)cc2Cl)CCCCC1 ZINC000316084985 601185802 /nfs/dbraw/zinc/18/58/02/601185802.db2.gz HCQGQEZHYBPVEL-UHFFFAOYSA-N -1 0 331.746 3.526 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000833351847 601189483 /nfs/dbraw/zinc/18/94/83/601189483.db2.gz VNZMIXAYLMXJJP-SFHVURJKSA-N -1 0 339.391 3.660 20 0 EHADRM CCS[C@@H]1CCC[C@H](NC(=O)Nc2cccc(C(=O)[O-])c2C)C1 ZINC000830157088 601190818 /nfs/dbraw/zinc/19/08/18/601190818.db2.gz FCCOAXXSGVXXPJ-QWHCGFSZSA-N -1 0 336.457 3.879 20 0 EHADRM CCS[C@@H]1CCC[C@H](NC(=O)Nc2cc(C(=O)[O-])ccc2F)C1 ZINC000830158469 601191199 /nfs/dbraw/zinc/19/11/99/601191199.db2.gz WKNDFACUGSUOGE-NWDGAFQWSA-N -1 0 340.420 3.710 20 0 EHADRM CCS[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000830156946 601191828 /nfs/dbraw/zinc/19/18/28/601191828.db2.gz BDJYOGGKXDUGPB-ZIAGYGMSSA-N -1 0 337.445 3.597 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)OCc2ccccc2C(F)(F)F)C1 ZINC000833185336 601193218 /nfs/dbraw/zinc/19/32/18/601193218.db2.gz CAPDBRVYHWEFMV-GHMZBOCLSA-N -1 0 330.302 3.640 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)C/C=C\c2ccc(F)cc2)cc1 ZINC000830507205 601198013 /nfs/dbraw/zinc/19/80/13/601198013.db2.gz FMWGEUJKJUSCNO-IHWYPQMZSA-N -1 0 328.343 3.982 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NCc1ncc(-c2ccccc2)o1)c1ccccc1 ZINC000826053050 601204888 /nfs/dbraw/zinc/20/48/88/601204888.db2.gz ICDWWYIWHFQJKZ-KUHUBIRLSA-N -1 0 336.391 3.893 20 0 EHADRM Cc1ccc(-c2noc(COc3ccccc3NC(=O)[O-])n2)cc1 ZINC000832910244 601229420 /nfs/dbraw/zinc/22/94/20/601229420.db2.gz VZCIFGQBROSQHM-UHFFFAOYSA-N -1 0 325.324 3.714 20 0 EHADRM Cc1nc2ccccc2nc1CNc1ccc(CN(C)C(=O)[O-])cc1 ZINC000833006174 601250482 /nfs/dbraw/zinc/25/04/82/601250482.db2.gz LMYSRBLPAFVQMR-UHFFFAOYSA-N -1 0 336.395 3.660 20 0 EHADRM CCO[C@@H]1C[C@@H](N(C)c2nc(Cl)c(C(=O)[O-])s2)C12CCCC2 ZINC000829925106 601251662 /nfs/dbraw/zinc/25/16/62/601251662.db2.gz NKFNGVLWQHWCCA-NXEZZACHSA-N -1 0 344.864 3.669 20 0 EHADRM COc1cccc(/C(C)=C\C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)c1 ZINC000832528526 601256607 /nfs/dbraw/zinc/25/66/07/601256607.db2.gz NSJQTBWJXUSXSS-QBFSEMIESA-N -1 0 340.379 3.851 20 0 EHADRM CCC1CCC(NC(=O)Cc2cc3ccccc3o2)(C(=O)[O-])CC1 ZINC000829089643 601276948 /nfs/dbraw/zinc/27/69/48/601276948.db2.gz KRRBEHZPOIORIM-UHFFFAOYSA-N -1 0 329.396 3.515 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000769516276 601277963 /nfs/dbraw/zinc/27/79/63/601277963.db2.gz ULQQZLJQHLUDDB-MLFXKNMZSA-N -1 0 327.355 3.561 20 0 EHADRM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237607868 601278464 /nfs/dbraw/zinc/27/84/64/601278464.db2.gz KBLYCUIAVPZURR-HNAYVOBHSA-N -1 0 337.419 3.722 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237604251 601278492 /nfs/dbraw/zinc/27/84/92/601278492.db2.gz KBLYCUIAVPZURR-KXBFYZLASA-N -1 0 337.419 3.722 20 0 EHADRM CCCCN(Cc1ccccc1Cl)C(=O)c1ccnc(C(=O)[O-])c1 ZINC000236737382 601282760 /nfs/dbraw/zinc/28/27/60/601282760.db2.gz LHVSZGMXOIAPAH-UHFFFAOYSA-N -1 0 346.814 3.876 20 0 EHADRM CC[C@](NC(=O)C/C=C/c1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC000485378920 601283781 /nfs/dbraw/zinc/28/37/81/601283781.db2.gz DYTDXWZVNVEMCC-ROUKRRSUSA-N -1 0 341.382 3.735 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)C/C=C\c2cccc(F)c2)cc1 ZINC000833282673 601285839 /nfs/dbraw/zinc/28/58/39/601285839.db2.gz XQIDCEIGARNTDW-RQOWECAXSA-N -1 0 328.343 3.635 20 0 EHADRM CC(C)(CCCc1ccccc1)CNC(=O)c1ccnc(C(=O)[O-])c1 ZINC000826547034 601287303 /nfs/dbraw/zinc/28/73/03/601287303.db2.gz MXPLQEHPEHIQSX-UHFFFAOYSA-N -1 0 340.423 3.559 20 0 EHADRM COc1ccc(Cl)cc1C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832362495 601297455 /nfs/dbraw/zinc/29/74/55/601297455.db2.gz KJWXCPPOHDUADB-ZBEGNZNMSA-N -1 0 347.798 3.540 20 0 EHADRM Cc1ccc(NCC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000832951585 601302618 /nfs/dbraw/zinc/30/26/18/601302618.db2.gz IXRZFMWGVFTPKH-LBPRGKRZSA-N -1 0 346.814 3.636 20 0 EHADRM CC(C)(C)C(=O)CSCCOc1ccc(C(=O)[O-])cc1Cl ZINC000826130423 601308447 /nfs/dbraw/zinc/30/84/47/601308447.db2.gz KOOSYASTPLAOHO-UHFFFAOYSA-N -1 0 330.833 3.765 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1[nH]c2ccc(F)cc2c1Cl ZINC000262123921 601309203 /nfs/dbraw/zinc/30/92/03/601309203.db2.gz JBWLESJVSDAWPJ-UHFFFAOYSA-N -1 0 340.782 3.724 20 0 EHADRM C[C@@H](C(=O)Nc1cc(C(=O)[O-])n(C)c1)c1ccc(Cl)c(Cl)c1 ZINC000826012233 601312659 /nfs/dbraw/zinc/31/26/59/601312659.db2.gz GRWUUYGOZLRSMP-MRVPVSSYSA-N -1 0 341.194 3.772 20 0 EHADRM CN(c1ccccc1)c1ccccc1C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000830888332 601315350 /nfs/dbraw/zinc/31/53/50/601315350.db2.gz KZLQQRBSRTZOOU-UHFFFAOYSA-N -1 0 349.390 3.744 20 0 EHADRM Cn1cc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1C(=O)[O-] ZINC000833045645 601316770 /nfs/dbraw/zinc/31/67/70/601316770.db2.gz PDNCXGBJFUDGHY-UHFFFAOYSA-N -1 0 348.402 3.884 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000827049083 601332411 /nfs/dbraw/zinc/33/24/11/601332411.db2.gz UTEWWFRVPHHBGT-XJKSGUPXSA-N -1 0 346.427 3.968 20 0 EHADRM CCO[C@H]1C[C@H](NC(=O)Nc2cccc(NC(=O)[O-])c2)C1(CC)CC ZINC000829925166 601336930 /nfs/dbraw/zinc/33/69/30/601336930.db2.gz NQRHYONLWXFZEP-GJZGRUSLSA-N -1 0 349.431 3.882 20 0 EHADRM CCn1c2ccccc2nc1[C@@H]1CCCN1Cc1occc1C(=O)[O-] ZINC000567620060 601338574 /nfs/dbraw/zinc/33/85/74/601338574.db2.gz NLZOQYBEEOQMGG-INIZCTEOSA-N -1 0 339.395 3.685 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OCc1csc([C@@H](C)OC)n1 ZINC000831975268 601344670 /nfs/dbraw/zinc/34/46/70/601344670.db2.gz DGAFTEFMNUUKLL-JPVGGKMYSA-N -1 0 349.408 3.536 20 0 EHADRM C[C@H](SCc1nnc(-c2c(Cl)cccc2Cl)o1)C(=O)[O-] ZINC000827907960 601345462 /nfs/dbraw/zinc/34/54/62/601345462.db2.gz DCQVTSBGVUMUKT-LURJTMIESA-N -1 0 333.196 3.750 20 0 EHADRM C[C@@H](SCc1ncc(-c2ccccc2Br)o1)C(=O)[O-] ZINC000827907976 601345936 /nfs/dbraw/zinc/34/59/36/601345936.db2.gz DUPZALFQNVEDKR-MRVPVSSYSA-N -1 0 342.214 3.810 20 0 EHADRM COc1cccc(/C(C)=C\C(=O)O[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000832528402 601359240 /nfs/dbraw/zinc/35/92/40/601359240.db2.gz KFILWXMRDPYHTI-SIKDUDHDSA-N -1 0 344.338 3.607 20 0 EHADRM CCc1ccsc1-c1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC000830282195 601364441 /nfs/dbraw/zinc/36/44/41/601364441.db2.gz MFJDZTCUCQBIQQ-UHFFFAOYSA-N -1 0 330.365 3.638 20 0 EHADRM C[C@@H](c1ccccc1)N(C)C(=O)COc1ccc(Cl)cc1C(=O)[O-] ZINC000324594671 601372781 /nfs/dbraw/zinc/37/27/81/601372781.db2.gz JPVDJYNHMUCMIR-LBPRGKRZSA-N -1 0 347.798 3.637 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2O)cc1 ZINC000833282539 601375315 /nfs/dbraw/zinc/37/53/15/601375315.db2.gz HRLCEOJUXSYIGW-UHFFFAOYSA-N -1 0 340.257 3.753 20 0 EHADRM C[C@H]1CCC[C@H](C)C1NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000828232633 601381118 /nfs/dbraw/zinc/38/11/18/601381118.db2.gz IGPHZELVDHNCRQ-IUCAKERBSA-N -1 0 326.343 3.609 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)/C=C/c1ccc(Cl)s1)c1ccccc1 ZINC000767074339 601393968 /nfs/dbraw/zinc/39/39/68/601393968.db2.gz PVAKHAJNBSSDAX-JUTCQGHRSA-N -1 0 349.839 3.993 20 0 EHADRM O=C([O-])c1nn(CN2CCC[C@@H]2c2ccsc2)c2ccccc21 ZINC000833346712 601398060 /nfs/dbraw/zinc/39/80/60/601398060.db2.gz OEGDUTSGGMOXBU-CQSZACIVSA-N -1 0 327.409 3.591 20 0 EHADRM CC(C)(c1nc(-c2cccc(C(=O)[O-])c2)no1)c1cccc(F)c1 ZINC000826642038 601403256 /nfs/dbraw/zinc/40/32/56/601403256.db2.gz MVWXXABVIWYOJI-UHFFFAOYSA-N -1 0 326.327 3.900 20 0 EHADRM COc1cc(C=CC(=O)[O-])ccc1OCC(=O)c1ccc(F)c(C)c1 ZINC000831977280 601406189 /nfs/dbraw/zinc/40/61/89/601406189.db2.gz SBVJAOMVQCDSHB-YWEYNIOJSA-N -1 0 344.338 3.502 20 0 EHADRM Cc1nc(CCCC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cs1 ZINC000190606059 601406286 /nfs/dbraw/zinc/40/62/86/601406286.db2.gz AFDAKWJIKJGOAP-UHFFFAOYSA-N -1 0 338.816 3.765 20 0 EHADRM C[C@H]1CCCN1C(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000263555521 601408761 /nfs/dbraw/zinc/40/87/61/601408761.db2.gz YPUDOQBYRKZETL-LBPRGKRZSA-N -1 0 345.420 3.895 20 0 EHADRM C[C@H](NC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)c1ccccc1 ZINC000827665255 601415699 /nfs/dbraw/zinc/41/56/99/601415699.db2.gz PPPUZTNKWFCGIT-LRDDRELGSA-N -1 0 346.814 3.916 20 0 EHADRM CC(C)C[C@@H](NC(=O)NCC1(C(=O)[O-])CCCC1)c1cccs1 ZINC000826792959 601421421 /nfs/dbraw/zinc/42/14/21/601421421.db2.gz JIAINRVNQWRXEO-CYBMUJFWSA-N -1 0 338.473 3.780 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNC1(c2noc(C(C)C)n2)CCCC1 ZINC000830376217 601422983 /nfs/dbraw/zinc/42/29/83/601422983.db2.gz VIUPIEAZUPHORX-UHFFFAOYSA-N -1 0 347.415 3.606 20 0 EHADRM C/C(=C\COC(=O)c1csc(-c2ccccc2Cl)n1)C(=O)[O-] ZINC000825785707 601423283 /nfs/dbraw/zinc/42/32/83/601423283.db2.gz ANBFESHVHFIULN-RMKNXTFCSA-N -1 0 337.784 3.651 20 0 EHADRM C[C@H](C(=O)NC1(CC(=O)[O-])CCCCC1)c1ccc(Cl)s1 ZINC000575070069 601427481 /nfs/dbraw/zinc/42/74/81/601427481.db2.gz LMBGZDRJNYTACK-JTQLQIEISA-N -1 0 329.849 3.799 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N(CC(=O)[O-])c2cccc(F)c2)cc1 ZINC000828759579 601428020 /nfs/dbraw/zinc/42/80/20/601428020.db2.gz WHTKSWRAZQCCHA-ZDUSSCGKSA-N -1 0 345.370 3.734 20 0 EHADRM CCO[C@@H]1C[C@@H](NC(=O)c2ccc(NC(=O)[O-])cc2)C12CCCCC2 ZINC000829931618 601438750 /nfs/dbraw/zinc/43/87/50/601438750.db2.gz RFZLKXGEVFWUPD-HZPDHXFCSA-N -1 0 346.427 3.634 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000776628944 601460481 /nfs/dbraw/zinc/46/04/81/601460481.db2.gz SHKGFXIEFALKJN-ABSDTBQOSA-N -1 0 325.408 3.703 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@H](C)c1ccccc1C(F)(F)F ZINC000828617599 601460531 /nfs/dbraw/zinc/46/05/31/601460531.db2.gz GYNYSEDANSTCEV-BMIGLBTASA-N -1 0 331.334 3.569 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cccc(Nc2ccccc2)c1 ZINC000828645367 601463409 /nfs/dbraw/zinc/46/34/09/601463409.db2.gz NDGMIASZJFCVPR-LJQANCHMSA-N -1 0 326.396 3.803 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H](C)Sc1ccc(Cl)cc1 ZINC000237114559 601469234 /nfs/dbraw/zinc/46/92/34/601469234.db2.gz JBSNPKGHIZMEBK-ZUZCIYMTSA-N -1 0 329.849 3.580 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)O[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000832220840 601474474 /nfs/dbraw/zinc/47/44/74/601474474.db2.gz JEPXTTKTGDXGHE-SCLBCKFNSA-N -1 0 328.364 3.558 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2ccccc2Cc2ccccc2)CCC1 ZINC000327432057 601476393 /nfs/dbraw/zinc/47/63/93/601476393.db2.gz NAPWVDMZQGKQTK-UHFFFAOYSA-N -1 0 338.407 3.796 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)O[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000832528980 601484961 /nfs/dbraw/zinc/48/49/61/601484961.db2.gz TZWPNOFFQFNIKZ-KPZWWZAWSA-N -1 0 346.354 3.697 20 0 EHADRM COc1cccc([C@H](C)CC(=O)OCc2ccc(C(=O)[O-])cc2)c1 ZINC000832528803 601484989 /nfs/dbraw/zinc/48/49/89/601484989.db2.gz QXVJOKKBZYNIQI-CYBMUJFWSA-N -1 0 328.364 3.630 20 0 EHADRM C[C@H](CC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000262550528 601494846 /nfs/dbraw/zinc/49/48/46/601494846.db2.gz USVTYPHPDDMPEX-BFUOFWGJSA-N -1 0 341.382 3.530 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000262111484 601501149 /nfs/dbraw/zinc/50/11/49/601501149.db2.gz OGZNCIPSRZIYGZ-UHFFFAOYSA-N -1 0 335.787 3.516 20 0 EHADRM C[C@@H]1CC/C(=C/C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC000828200967 601501634 /nfs/dbraw/zinc/50/16/34/601501634.db2.gz MOWRUJFNDSLEPK-SBMLRHLQSA-N -1 0 325.311 3.671 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)cc1 ZINC000237498132 601531562 /nfs/dbraw/zinc/53/15/62/601531562.db2.gz DRKVTVOCIMTUMD-OAHLLOKOSA-N -1 0 341.407 3.566 20 0 EHADRM Cc1cc(CN(Cc2cccs2)CC(F)(F)F)oc1C(=O)[O-] ZINC000832882764 601549096 /nfs/dbraw/zinc/54/90/96/601549096.db2.gz NBYUCGGGQBLWFW-UHFFFAOYSA-N -1 0 333.331 3.912 20 0 EHADRM CC[C@@H](C)[C@H](C)N(C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1)C1CC1 ZINC000236875517 601556473 /nfs/dbraw/zinc/55/64/73/601556473.db2.gz LSLJRCBQMIFPBU-DOMZBBRYSA-N -1 0 347.455 3.806 20 0 EHADRM C[C@H]1CN(c2nc(-c3cccs3)nc3ccccc32)C[C@@H]1C(=O)[O-] ZINC000828500587 601564686 /nfs/dbraw/zinc/56/46/86/601564686.db2.gz UTNCTBWEDLTWDB-AAEUAGOBSA-N -1 0 339.420 3.515 20 0 EHADRM CC[C@@H]1CCCCCN1C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000236908837 601564941 /nfs/dbraw/zinc/56/49/41/601564941.db2.gz USLWWGJZFZMJEG-MRXNPFEDSA-N -1 0 333.428 3.562 20 0 EHADRM CC(C)c1ccc(-c2ncc(CN(CC(=O)[O-])C3CC3)s2)cc1 ZINC000565958175 601579053 /nfs/dbraw/zinc/57/90/53/601579053.db2.gz XHTWYRRNSSCLGH-UHFFFAOYSA-N -1 0 330.453 3.983 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000776650782 601582343 /nfs/dbraw/zinc/58/23/43/601582343.db2.gz QSCULMQMNHJRNV-BLIJAFNYSA-N -1 0 347.773 3.825 20 0 EHADRM Cc1ccc(C)c(OCCCCC(=O)NCC2(C(=O)[O-])CCCC2)c1 ZINC000676024508 601600712 /nfs/dbraw/zinc/60/07/12/601600712.db2.gz IEENMNDCQTXRFK-UHFFFAOYSA-N -1 0 347.455 3.614 20 0 EHADRM O=C([O-])C1(CNC(=O)CSc2ccc3ccccc3c2)CCCC1 ZINC000676024607 601603927 /nfs/dbraw/zinc/60/39/27/601603927.db2.gz NQIMYTXCPNCDFO-UHFFFAOYSA-N -1 0 343.448 3.693 20 0 EHADRM O=C([O-])c1sc2ccccc2c1COC(=O)C[C@@H]1CCCCO1 ZINC000833094255 601606098 /nfs/dbraw/zinc/60/60/98/601606098.db2.gz TZISWDGYKYTARH-NSHDSACASA-N -1 0 334.393 3.602 20 0 EHADRM CCCCc1ccc(CC(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000236898280 601613984 /nfs/dbraw/zinc/61/39/84/601613984.db2.gz VGFPZRPKWHOPQL-UHFFFAOYSA-N -1 0 325.408 3.838 20 0 EHADRM Cc1nnc(SCc2ccc(C(=O)[O-])c(F)c2)n1-c1ccccc1 ZINC000833020765 601622258 /nfs/dbraw/zinc/62/22/58/601622258.db2.gz BPTGWSOIXGIGLK-UHFFFAOYSA-N -1 0 343.383 3.705 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CSc1nncn1-c1ccccc1C ZINC000832976438 601622259 /nfs/dbraw/zinc/62/22/59/601622259.db2.gz NLLDQTRPHQRZOL-UHFFFAOYSA-N -1 0 345.449 3.936 20 0 EHADRM Cc1cc(NC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])ccc1F ZINC000832894597 601623844 /nfs/dbraw/zinc/62/38/44/601623844.db2.gz FCIQJVQSOXHRIK-WBMJQRKESA-N -1 0 330.359 3.718 20 0 EHADRM C/C(=C\C(=O)N1CCCC[C@@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000766849481 601627759 /nfs/dbraw/zinc/62/77/59/601627759.db2.gz VGJMPHXJZBCQSA-CFRMROPGSA-N -1 0 341.329 3.574 20 0 EHADRM C[C@H](c1ccc2ccccc2c1)N(C(=O)NCCCC(=O)[O-])C1CC1 ZINC000263478038 601628047 /nfs/dbraw/zinc/62/80/47/601628047.db2.gz NERNZRMXMJLWSX-CQSZACIVSA-N -1 0 340.423 3.940 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCCC[C@H]2[C@H]2CCCCC2=O)cc1 ZINC000821543235 601629997 /nfs/dbraw/zinc/62/99/97/601629997.db2.gz HBZOQRCYTVBSNL-SJORKVTESA-N -1 0 343.423 3.529 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCCC[C@@H]2[C@@H]2CCCCC2=O)cc1 ZINC000821543230 601630025 /nfs/dbraw/zinc/63/00/25/601630025.db2.gz HBZOQRCYTVBSNL-DLBZAZTESA-N -1 0 343.423 3.529 20 0 EHADRM Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc(C(=O)[O-])c(F)c1)CCC2 ZINC000574292327 601634928 /nfs/dbraw/zinc/63/49/28/601634928.db2.gz LKQIRKQXWUSICT-HNNXBMFYSA-N -1 0 334.416 3.798 20 0 EHADRM Cc1cc(C(=O)N(CC(=O)[O-])C2CC2)sc1-c1ccc(F)cc1 ZINC000237667665 601635353 /nfs/dbraw/zinc/63/53/53/601635353.db2.gz HHKGYMSJNBVSLU-UHFFFAOYSA-N -1 0 333.384 3.552 20 0 EHADRM CCCCC[C@H](NC(=O)/C=C/c1cnc(C(C)(C)C)s1)C(=O)[O-] ZINC000236665906 601642391 /nfs/dbraw/zinc/64/23/91/601642391.db2.gz QBPPVVCASKVYCV-LXKVQUBZSA-N -1 0 338.473 3.604 20 0 EHADRM CCCCC[C@@H](NC(=O)/C=C\c1cnc(C(C)(C)C)s1)C(=O)[O-] ZINC000776662770 601643870 /nfs/dbraw/zinc/64/38/70/601643870.db2.gz QBPPVVCASKVYCV-ASCRHOAZSA-N -1 0 338.473 3.604 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2cc(F)cc(Cl)c2)ccc1F ZINC000833282927 601669150 /nfs/dbraw/zinc/66/91/50/601669150.db2.gz MFQBYDDLICOEOY-UHFFFAOYSA-N -1 0 326.686 3.960 20 0 EHADRM O=C([O-])CC1CCN(C(=O)CCCc2csc3ccccc23)CC1 ZINC000262068512 601670425 /nfs/dbraw/zinc/67/04/25/601670425.db2.gz DZTOZQNNUFTFTK-UHFFFAOYSA-N -1 0 345.464 3.937 20 0 EHADRM COc1c(F)ccc(F)c1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000431349766 601679135 /nfs/dbraw/zinc/67/91/35/601679135.db2.gz JCLVFRAXMUGFSG-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM O=C([O-])c1ccoc1COC(=O)c1ccc2ccc(Cl)cc2n1 ZINC000833352878 601683174 /nfs/dbraw/zinc/68/31/74/601683174.db2.gz CARMLGLFEFGTIU-UHFFFAOYSA-N -1 0 331.711 3.536 20 0 EHADRM CN(Cc1ccccc1-c1ccccc1)C(=O)NCC(C)(C)C(=O)[O-] ZINC000830856210 601685129 /nfs/dbraw/zinc/68/51/29/601685129.db2.gz KZCZUMBBLQEQSL-UHFFFAOYSA-N -1 0 340.423 3.606 20 0 EHADRM O=C([O-])c1c(C2CC2)csc1NC(=O)Cc1ccc(F)cc1F ZINC000833118851 601686224 /nfs/dbraw/zinc/68/62/24/601686224.db2.gz QKPDKEVJWWKLOP-UHFFFAOYSA-N -1 0 337.347 3.783 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000833139356 601692196 /nfs/dbraw/zinc/69/21/96/601692196.db2.gz JUIDYESSOLBDJN-CMPLNLGQSA-N -1 0 344.333 3.875 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)N2CC(Cc3ccccc3)C2)cc1 ZINC000830514813 601701779 /nfs/dbraw/zinc/70/17/79/601701779.db2.gz XZLFIKIZYYVTOZ-UHFFFAOYSA-N -1 0 339.395 3.507 20 0 EHADRM O=C([O-])c1ccc(COC(=O)C2(c3cccc(F)c3)CCC2)cc1F ZINC000833315374 601714480 /nfs/dbraw/zinc/71/44/80/601714480.db2.gz QGLJHTPWZBISQY-UHFFFAOYSA-N -1 0 346.329 3.828 20 0 EHADRM CCC1(CNC(=O)Nc2cccc(CSCC(=O)[O-])c2)CCC1 ZINC000829065415 601715535 /nfs/dbraw/zinc/71/55/35/601715535.db2.gz BORYKPNUKMMSSH-UHFFFAOYSA-N -1 0 336.457 3.706 20 0 EHADRM CCC(C)(CC)NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000828677661 601722425 /nfs/dbraw/zinc/72/24/25/601722425.db2.gz NCCFWIIXLSOVQE-UHFFFAOYSA-N -1 0 330.331 3.686 20 0 EHADRM CCOc1ccc(CCC(=O)OCc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000830070982 601724819 /nfs/dbraw/zinc/72/48/19/601724819.db2.gz LIXXZORQFUITRB-UHFFFAOYSA-N -1 0 346.354 3.599 20 0 EHADRM O=C([O-])[C@H](NC(=O)Cc1csc2ccccc12)c1ccccc1F ZINC000678984838 601739024 /nfs/dbraw/zinc/73/90/24/601739024.db2.gz GPUWFMMISGISCX-QGZVFWFLSA-N -1 0 343.379 3.525 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC000832977218 601744197 /nfs/dbraw/zinc/74/41/97/601744197.db2.gz PYOOWNUBEOKLQL-ZDUSSCGKSA-N -1 0 346.452 3.991 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cc(F)cc(Cl)c1)c1ccc(F)cc1 ZINC000833350863 601745121 /nfs/dbraw/zinc/74/51/21/601745121.db2.gz MMIMDXSNMIGWGY-CYBMUJFWSA-N -1 0 326.682 3.601 20 0 EHADRM CC(C)=C[C@H]1[C@@H](C(=O)Nc2nc(CCCC(=O)[O-])cs2)C1(C)C ZINC000826647282 601746784 /nfs/dbraw/zinc/74/67/84/601746784.db2.gz CAWPBJWMTNVDQT-JSGCOSHPSA-N -1 0 336.457 3.727 20 0 EHADRM COc1cccc([C@H](C)CC(=O)Oc2ccc(C(=O)[O-])cc2OC)c1 ZINC000832533595 601800122 /nfs/dbraw/zinc/80/01/22/601800122.db2.gz NXTBYNLCXMGSFL-GFCCVEGCSA-N -1 0 344.363 3.501 20 0 EHADRM CCCc1ncc(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])s1 ZINC000737831357 601807600 /nfs/dbraw/zinc/80/76/00/601807600.db2.gz DWQNEPTVMXAEHZ-UHFFFAOYSA-N -1 0 336.438 3.985 20 0 EHADRM C[C@@H](SCc1ccc(C(=O)[O-])c(F)c1)C(=O)NC1CCCCC1 ZINC000827908875 601813693 /nfs/dbraw/zinc/81/36/93/601813693.db2.gz OLTIQHIZGDDXOO-LLVKDONJSA-N -1 0 339.432 3.595 20 0 EHADRM O=C([O-])c1ccc(CSCC(=O)Nc2ccc(F)cc2)cc1F ZINC000833115823 601814505 /nfs/dbraw/zinc/81/45/05/601814505.db2.gz JXJQLHCDVNXORO-UHFFFAOYSA-N -1 0 337.347 3.535 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)N3CCC(CCC(=O)[O-])CC3)c2c1 ZINC000539685747 601816519 /nfs/dbraw/zinc/81/65/19/601816519.db2.gz UCYKQVJHLAAXSD-UHFFFAOYSA-N -1 0 342.439 3.512 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000679095631 601817223 /nfs/dbraw/zinc/81/72/23/601817223.db2.gz FDFIQSYKBLZZSC-UHFFFAOYSA-N -1 0 334.803 3.538 20 0 EHADRM CC(=O)c1ccc(Br)cc1OCc1ccc(C(=O)[O-])o1 ZINC000825946853 601817238 /nfs/dbraw/zinc/81/72/38/601817238.db2.gz TVCJEHXRPQZPAA-UHFFFAOYSA-N -1 0 339.141 3.522 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2cc3cc(Cl)ccc3o2)CC1 ZINC000540781349 601821159 /nfs/dbraw/zinc/82/11/59/601821159.db2.gz FHKMCYQXGLSJPM-UHFFFAOYSA-N -1 0 335.787 3.803 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N(c2ccc(F)cc2)C2CCCC2)C1 ZINC000833186820 601821194 /nfs/dbraw/zinc/82/11/94/601821194.db2.gz VUYVGNZPNSUJPN-ZIAGYGMSSA-N -1 0 333.403 3.992 20 0 EHADRM Cc1nc2ccccc2nc1CNc1cc(F)c(F)cc1C(=O)[O-] ZINC000833006190 601831284 /nfs/dbraw/zinc/83/12/84/601831284.db2.gz MFMZKPPACHZBFP-UHFFFAOYSA-N -1 0 329.306 3.527 20 0 EHADRM COCCn1c(SCc2ccc(C(=O)[O-])s2)nc2ccccc21 ZINC000831800036 601845239 /nfs/dbraw/zinc/84/52/39/601845239.db2.gz DQZPBSTZCNQCLF-UHFFFAOYSA-N -1 0 348.449 3.735 20 0 EHADRM C[C@@H](SCc1ccc(C(=O)[O-])s1)C(=O)NC1CCCCC1 ZINC000827909103 601847175 /nfs/dbraw/zinc/84/71/75/601847175.db2.gz QXKKDDQEJQWXBA-SNVBAGLBSA-N -1 0 327.471 3.517 20 0 EHADRM Cc1cc(F)c(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc1F ZINC000832887325 601847694 /nfs/dbraw/zinc/84/76/94/601847694.db2.gz QFJBLHXZTJUMCE-UHFFFAOYSA-N -1 0 327.233 3.502 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C1(Cc2ccccc2)CCC1 ZINC000237269284 601848365 /nfs/dbraw/zinc/84/83/65/601848365.db2.gz ALUYNOPPTSFIHE-UHFFFAOYSA-N -1 0 337.419 3.756 20 0 EHADRM CC[C@@H](NC(=O)NCc1cccc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC000828951249 601849460 /nfs/dbraw/zinc/84/94/60/601849460.db2.gz HJXDHTDRZMIOJK-MRXNPFEDSA-N -1 0 346.814 3.989 20 0 EHADRM Cc1ccc(-c2cncc(C(=O)N(CC(=O)[O-])c3ccccc3)c2)cc1 ZINC000156400375 601864772 /nfs/dbraw/zinc/86/47/72/601864772.db2.gz FIVXESACQKFBAO-UHFFFAOYSA-N -1 0 346.386 3.788 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC000829009871 601873120 /nfs/dbraw/zinc/87/31/20/601873120.db2.gz UBIZLIFHIJWCCZ-OAHLLOKOSA-N -1 0 338.425 3.507 20 0 EHADRM CCN(C(=O)C1CCC(NC(=O)[O-])CC1)[C@@H](C)c1ccc(F)cc1 ZINC000739377131 601873863 /nfs/dbraw/zinc/87/38/63/601873863.db2.gz FAQAGICBQBSCNH-YGONEPDPSA-N -1 0 336.407 3.562 20 0 EHADRM CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000830150481 601881391 /nfs/dbraw/zinc/88/13/91/601881391.db2.gz PRVBJTOYBMFROG-KGLIPLIRSA-N -1 0 336.457 3.831 20 0 EHADRM COc1cc(C)ccc1CNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000831966890 601895205 /nfs/dbraw/zinc/89/52/05/601895205.db2.gz KDBZGYVVWQWQNO-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM CC[C@@H](S[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000829020617 601896525 /nfs/dbraw/zinc/89/65/25/601896525.db2.gz IABKVOUDYALHCW-CZUORRHYSA-N -1 0 335.469 3.583 20 0 EHADRM CN(C(=O)C1CCC(NC(=O)[O-])CC1)c1cccc2ccccc21 ZINC000739575664 601898668 /nfs/dbraw/zinc/89/86/68/601898668.db2.gz WKQCJSMRMGJRCM-UHFFFAOYSA-N -1 0 326.396 3.629 20 0 EHADRM CN(C(=O)[C@H]1CC12CCC2)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000830457895 601908222 /nfs/dbraw/zinc/90/82/22/601908222.db2.gz OXBRPRWXKPTTMO-ZWNOBZJWSA-N -1 0 342.222 3.768 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000262099777 601909493 /nfs/dbraw/zinc/90/94/93/601909493.db2.gz IXESWGIDUNLPQU-XDQVBPFNSA-N -1 0 349.393 3.895 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)c1ccc(F)cc1Cl ZINC000833131808 601910031 /nfs/dbraw/zinc/91/00/31/601910031.db2.gz GSZYVANCPKUVDY-OCCSQVGLSA-N -1 0 327.783 3.633 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)C2(c3cccc(F)c3)CCCC2)c1 ZINC000238213863 601925315 /nfs/dbraw/zinc/92/53/15/601925315.db2.gz PWDWXMKEVNNQIL-UHFFFAOYSA-N -1 0 341.382 3.652 20 0 EHADRM CC[C@H](NC(=O)[O-])C(=O)N1CC=C(c2cccc3ccccc32)CC1 ZINC000739521428 601928528 /nfs/dbraw/zinc/92/85/28/601928528.db2.gz RBELKJIJPDHOKC-SFHVURJKSA-N -1 0 338.407 3.502 20 0 EHADRM CC(C)(C)c1nc(CN(C2CC2)C2CCN(C(=O)[O-])CC2)cs1 ZINC000738726950 601931174 /nfs/dbraw/zinc/93/11/74/601931174.db2.gz BPSHVBBSRGWLOA-UHFFFAOYSA-N -1 0 337.489 3.547 20 0 EHADRM Cc1cncc(C(=O)O[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)c1 ZINC000832986759 601952126 /nfs/dbraw/zinc/95/21/26/601952126.db2.gz OJHFMTCAFIOYDH-CYBMUJFWSA-N -1 0 340.162 3.680 20 0 EHADRM CCc1ccc(-c2noc(CNc3cccc(CC(=O)[O-])c3)n2)cc1 ZINC000737897279 601965983 /nfs/dbraw/zinc/96/59/83/601965983.db2.gz CPBLUOHUDJUUIM-UHFFFAOYSA-N -1 0 337.379 3.538 20 0 EHADRM Cc1cc(C(=O)N(CC(=O)[O-])c2cccc(F)c2)c(Cl)cc1F ZINC000832860319 601971746 /nfs/dbraw/zinc/97/17/46/601971746.db2.gz MPRQQAZVARGLIC-UHFFFAOYSA-N -1 0 339.725 3.658 20 0 EHADRM O=C([O-])[C@H](Nc1ccc(CCO)cc1)c1cc(Cl)cc(Cl)c1 ZINC000833169543 601975717 /nfs/dbraw/zinc/97/57/17/601975717.db2.gz UEQBUSHMNHJQCR-OAHLLOKOSA-N -1 0 340.206 3.766 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)Nc2ccc3c(c2)oc2ccccc23)C1 ZINC000263515652 601987547 /nfs/dbraw/zinc/98/75/47/601987547.db2.gz ZQECMNFNBKNVPC-LJQANCHMSA-N -1 0 338.363 3.915 20 0 EHADRM CC(C)Oc1ccc(F)cc1NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736494190 601988292 /nfs/dbraw/zinc/98/82/92/601988292.db2.gz JIRIJSREPOYAPG-UHFFFAOYSA-N -1 0 332.331 3.955 20 0 EHADRM Cc1cc(C)c2c(c1)N(C(=O)c1ccc(CNC(=O)[O-])cc1)CCC2 ZINC000740063071 601990136 /nfs/dbraw/zinc/99/01/36/601990136.db2.gz FZECEZNKKBEAMP-UHFFFAOYSA-N -1 0 338.407 3.664 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)N(C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)C1 ZINC000828234166 601998219 /nfs/dbraw/zinc/99/82/19/601998219.db2.gz WCIOCKBAPYXESN-FTGAXOIBSA-N -1 0 343.345 3.514 20 0 EHADRM CSCc1ccc(NC(=O)Cc2ccc(NC(=O)[O-])cc2)cc1 ZINC000740014976 601999396 /nfs/dbraw/zinc/99/93/96/601999396.db2.gz RHHPNEQZHITKQE-UHFFFAOYSA-N -1 0 330.409 3.821 20 0 EHADRM CSCc1ccc(NC(=O)c2ccc(CNC(=O)[O-])cc2)cc1 ZINC000740015160 601999701 /nfs/dbraw/zinc/99/97/01/601999701.db2.gz UXYGKHUKVMHKFJ-UHFFFAOYSA-N -1 0 330.409 3.570 20 0 EHADRM O=C([O-])c1ccc(COC(=O)CCn2ccc3ccccc32)s1 ZINC000833104073 602001437 /nfs/dbraw/zinc/00/14/37/602001437.db2.gz WNRJBHDKIPYOPL-UHFFFAOYSA-N -1 0 329.377 3.535 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000237675600 602001482 /nfs/dbraw/zinc/00/14/82/602001482.db2.gz DMSFNGNBDRJTHD-SFHVURJKSA-N -1 0 329.421 3.660 20 0 EHADRM Cc1ccc2c(Cl)c(C(=O)N3CC[C@](C)(C(=O)[O-])C3)sc2c1 ZINC000823843154 602002228 /nfs/dbraw/zinc/00/22/28/602002228.db2.gz XSTTXXCEBMGSOM-INIZCTEOSA-N -1 0 337.828 3.800 20 0 EHADRM Cc1cc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)c(C)n1C1CCCCC1 ZINC000237709100 602003341 /nfs/dbraw/zinc/00/33/41/602003341.db2.gz MTMBGAQWQBFUED-IBGZPJMESA-N -1 0 332.444 3.547 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000827908219 602003430 /nfs/dbraw/zinc/00/34/30/602003430.db2.gz GYVMMNKYTOEEDK-NSHDSACASA-N -1 0 336.434 3.811 20 0 EHADRM CCC(CC)CC(=O)N(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000828854610 602018399 /nfs/dbraw/zinc/01/83/99/602018399.db2.gz MRIWIQWYJLOLJY-OAHLLOKOSA-N -1 0 331.334 3.514 20 0 EHADRM CN(C(=O)CC1=CCCCC1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830465452 602020218 /nfs/dbraw/zinc/02/02/18/602020218.db2.gz REWJGYJLXDPHON-INIZCTEOSA-N -1 0 341.329 3.579 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000238108263 602023434 /nfs/dbraw/zinc/02/34/34/602023434.db2.gz DIZIGZRGIIMOKM-UHFFFAOYSA-N -1 0 336.819 3.976 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)Nc1cc(F)ccc1F ZINC000833152505 602025880 /nfs/dbraw/zinc/02/58/80/602025880.db2.gz DVCNBJXJZFWRAL-YPMHNXCESA-N -1 0 326.343 3.510 20 0 EHADRM Cc1cc(C)c(NC(=O)NCc2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000832875485 602026947 /nfs/dbraw/zinc/02/69/47/602026947.db2.gz YKZWULXHACNDJW-UHFFFAOYSA-N -1 0 332.787 3.977 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cc(C)ccc1Br ZINC000828790199 602027986 /nfs/dbraw/zinc/02/79/86/602027986.db2.gz RYCUJBNPTCCROR-UHFFFAOYSA-N -1 0 342.233 3.521 20 0 EHADRM CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2cccc(C(=O)[O-])c2C)C1 ZINC000830148846 602031539 /nfs/dbraw/zinc/03/15/39/602031539.db2.gz AMSRULPWBCDZSN-OLZOCXBDSA-N -1 0 336.457 3.831 20 0 EHADRM Cc1cc(CN(C)[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)no1 ZINC000566359493 602033813 /nfs/dbraw/zinc/03/38/13/602033813.db2.gz WZBHKZKZSQWEBV-CYBMUJFWSA-N -1 0 329.183 3.548 20 0 EHADRM CCOc1ccc(NC(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])c(C)c1 ZINC000830085111 602034895 /nfs/dbraw/zinc/03/48/95/602034895.db2.gz OCORXUNJXIFWSD-WBVHZDCISA-N -1 0 348.443 3.939 20 0 EHADRM O=C([O-])Nc1cc(C(=O)OCc2ccoc2)cc(C(F)(F)F)c1 ZINC000833284274 602035327 /nfs/dbraw/zinc/03/53/27/602035327.db2.gz SPHCTPKMDIFAOV-UHFFFAOYSA-N -1 0 329.230 3.745 20 0 EHADRM O=C([O-])Nc1cc(C(=O)OC[C@H]2CCCCO2)cc(C(F)(F)F)c1 ZINC000833283319 602036552 /nfs/dbraw/zinc/03/65/52/602036552.db2.gz HCUNPVZDFIVRCN-GFCCVEGCSA-N -1 0 347.289 3.521 20 0 EHADRM Cc1ccc2cccc(NC(=O)NCc3cccc(C(=O)[O-])c3)c2n1 ZINC000327513669 602038676 /nfs/dbraw/zinc/03/86/76/602038676.db2.gz TYRASRRSBKJBOL-UHFFFAOYSA-N -1 0 335.363 3.563 20 0 EHADRM CC(C)(NC(=O)C1CCC(NC(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000738753195 602039366 /nfs/dbraw/zinc/03/93/66/602039366.db2.gz QYZNMRYZCHXGQN-UHFFFAOYSA-N -1 0 338.835 3.518 20 0 EHADRM C[C@@]1(COC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)CCCO1 ZINC000828106678 602039635 /nfs/dbraw/zinc/03/96/35/602039635.db2.gz FZQQBPAQEAGXBI-AWEZNQCLSA-N -1 0 347.289 3.521 20 0 EHADRM CC(C)C[C@@H]1CCCCN1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000826832343 602041554 /nfs/dbraw/zinc/04/15/54/602041554.db2.gz PXUAAVVHHNCPJD-INIZCTEOSA-N -1 0 333.432 3.887 20 0 EHADRM C[C@H]1C[C@H]1C(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC000828192372 602062532 /nfs/dbraw/zinc/06/25/32/602062532.db2.gz ODBUKRSMPHYAPG-SWLSCSKDSA-N -1 0 325.364 3.558 20 0 EHADRM CCC(CC)[C@H](NC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1cccs1 ZINC000263072729 602062769 /nfs/dbraw/zinc/06/27/69/602062769.db2.gz TZYGETHWIPDQCP-WMLDXEAASA-N -1 0 338.473 3.732 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2cc(C3CC3)nc3ccccc32)c1 ZINC000428098103 602066510 /nfs/dbraw/zinc/06/65/10/602066510.db2.gz HEUYZMKBSJWGKI-UHFFFAOYSA-N -1 0 346.386 3.992 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)C2(c3ccc(F)cc3)CCC2)c1 ZINC000238121802 602074690 /nfs/dbraw/zinc/07/46/90/602074690.db2.gz BGSXODONCHSUFM-UHFFFAOYSA-N -1 0 327.355 3.513 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000827271125 602087609 /nfs/dbraw/zinc/08/76/09/602087609.db2.gz GSUARPCLSNZUEO-PXAZEXFGSA-N -1 0 331.799 3.656 20 0 EHADRM C[C@@H]1CN(C(=O)NCCCCCCCC(=O)[O-])[C@@H]1c1ccccc1 ZINC000828354859 602094935 /nfs/dbraw/zinc/09/49/35/602094935.db2.gz QYYJMYLTECTFEG-QAPCUYQASA-N -1 0 332.444 3.814 20 0 EHADRM CCC(=O)c1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000828574274 602101222 /nfs/dbraw/zinc/10/12/22/602101222.db2.gz NJHKHFUCUMIXTL-UHFFFAOYSA-N -1 0 331.755 3.883 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)N(CC2CC2)C2CCCCC2)cc1 ZINC000740702042 602103651 /nfs/dbraw/zinc/10/36/51/602103651.db2.gz RWLFEMDECHWATK-UHFFFAOYSA-N -1 0 330.428 3.890 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)c1cc(C(F)(F)F)ccc1F ZINC000391672106 602120138 /nfs/dbraw/zinc/12/01/38/602120138.db2.gz IESFNHOJHOGAOB-UHFFFAOYSA-N -1 0 345.223 3.934 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000262041052 602121329 /nfs/dbraw/zinc/12/13/29/602121329.db2.gz CXEGZJDXFUHUDH-KRWDZBQOSA-N -1 0 349.427 3.525 20 0 EHADRM C[C@H](Nc1ccc(N(C)C(=O)[O-])cc1)c1cn(-c2ccccc2)nn1 ZINC000827773394 602129782 /nfs/dbraw/zinc/12/97/82/602129782.db2.gz KQFFNFJWZBEPJS-ZDUSSCGKSA-N -1 0 337.383 3.555 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)Nc1ccc(-c2nc(C)cs2)cc1 ZINC000739230119 602149571 /nfs/dbraw/zinc/14/95/71/602149571.db2.gz IXAGWWBDXNXSOT-IINYFYTJSA-N -1 0 347.440 3.739 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000262219271 602158804 /nfs/dbraw/zinc/15/88/04/602158804.db2.gz VDHRTKNGXQKPHF-RLFYNMQTSA-N -1 0 347.455 3.693 20 0 EHADRM CCS[C@H](C)c1noc(COc2cc(Cl)ccc2C(=O)[O-])n1 ZINC000830151117 602159193 /nfs/dbraw/zinc/15/91/93/602159193.db2.gz VDSFQIKDNYKGFU-MRVPVSSYSA-N -1 0 342.804 3.814 20 0 EHADRM CCO[C@H](CC(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C)C(C)C ZINC000829913511 602162404 /nfs/dbraw/zinc/16/24/04/602162404.db2.gz ZSTHLFDZTIDQTI-MRXNPFEDSA-N -1 0 347.411 3.542 20 0 EHADRM CCCCC[C@@H](NC(=O)c1cc(C)sc1Br)C(=O)[O-] ZINC000829326724 602165069 /nfs/dbraw/zinc/16/50/69/602165069.db2.gz OWLVCSXXKPCFOM-SNVBAGLBSA-N -1 0 348.262 3.582 20 0 EHADRM CSc1cc(C(=O)N2C[C@H](C)[C@@H](C(=O)[O-])C2)c(Cl)cc1Cl ZINC000832770807 602169368 /nfs/dbraw/zinc/16/93/68/602169368.db2.gz HVETYRNTBPZZAD-CBAPKCEASA-N -1 0 348.251 3.508 20 0 EHADRM Cc1oc(-c2ccco2)nc1CC(=O)Nc1ccccc1NC(=O)[O-] ZINC000740273646 602174616 /nfs/dbraw/zinc/17/46/16/602174616.db2.gz ZCLQRWSURXYDSZ-UHFFFAOYSA-N -1 0 341.323 3.514 20 0 EHADRM Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1NC(=O)[O-] ZINC000740082242 602178845 /nfs/dbraw/zinc/17/88/45/602178845.db2.gz LCWJXRWDXKRIFZ-UHFFFAOYSA-N -1 0 334.759 3.756 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)C=Cc1ccc2ccccc2n1 ZINC000740714596 602180353 /nfs/dbraw/zinc/18/03/53/602180353.db2.gz UOZMXFCVFURKAJ-VAWYXSNFSA-N -1 0 333.347 3.977 20 0 EHADRM O=C([O-])c1csc(NC(=O)Cc2cccc(C(F)(F)F)c2)c1 ZINC000191335814 602183470 /nfs/dbraw/zinc/18/34/70/602183470.db2.gz FGFYYSSTGMPXGK-UHFFFAOYSA-N -1 0 329.299 3.646 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000562401698 602183769 /nfs/dbraw/zinc/18/37/69/602183769.db2.gz IWMOPYUHEYEZCX-UHTWSYAYSA-N -1 0 325.430 3.759 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2ccc(Br)s2)c1 ZINC000562402593 602186050 /nfs/dbraw/zinc/18/60/50/602186050.db2.gz SMBCELNJBIOUGJ-UHFFFAOYSA-N -1 0 332.200 3.523 20 0 EHADRM O=C([O-])c1csc(NC(=O)CSc2ccccc2Cl)c1 ZINC000191361683 602188573 /nfs/dbraw/zinc/18/85/73/602188573.db2.gz BAZMZOFPOTYJGG-UHFFFAOYSA-N -1 0 327.814 3.831 20 0 EHADRM Cc1nc(Cc2ccccc2)sc1[C@@H](C)OC(=O)[C@H](C)CC(=O)[O-] ZINC000833000220 602194828 /nfs/dbraw/zinc/19/48/28/602194828.db2.gz DTVUGZQORCZNSI-DGCLKSJQSA-N -1 0 347.436 3.757 20 0 EHADRM COc1ccc(C(C)(C)C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)cc1 ZINC000832216897 602199269 /nfs/dbraw/zinc/19/92/69/602199269.db2.gz VNZJRRCGKYMNHD-UHFFFAOYSA-N -1 0 342.395 3.726 20 0 EHADRM Cc1ccc(CCCC(=O)Nc2cccc(CNC(=O)[O-])c2)cc1 ZINC000740126135 602199859 /nfs/dbraw/zinc/19/98/59/602199859.db2.gz YDVCJFYOWYPVMX-UHFFFAOYSA-N -1 0 326.396 3.724 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)/C=C/c2ccc3ccccc3n2)c1 ZINC000740673463 602201539 /nfs/dbraw/zinc/20/15/39/602201539.db2.gz DMRJSSKQDOPMIV-ZHACJKMWSA-N -1 0 347.374 3.654 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)N[C@@H]2CC=CCC2)c2ccccc12 ZINC000833256421 602224853 /nfs/dbraw/zinc/22/48/53/602224853.db2.gz PPLZOHGOXLVESB-CYBMUJFWSA-N -1 0 340.379 3.533 20 0 EHADRM COc1cc(Cl)c(C)cc1NC(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000739861157 602225298 /nfs/dbraw/zinc/22/52/98/602225298.db2.gz SFASUEOFICWHDK-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM CCC[C@@H]1C[C@H]1NC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000829257444 602227490 /nfs/dbraw/zinc/22/74/90/602227490.db2.gz ZGTYROURNGULSE-MLGOLLRUSA-N -1 0 342.395 3.613 20 0 EHADRM CN(CC(C)(C)C)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000830701855 602227725 /nfs/dbraw/zinc/22/77/25/602227725.db2.gz GUIDTICASQAZQE-UHFFFAOYSA-N -1 0 344.411 3.813 20 0 EHADRM Cc1ccc(-c2cccc(CNC(=O)c3ccnc(C(=O)[O-])c3)c2)cc1 ZINC000832905800 602234029 /nfs/dbraw/zinc/23/40/29/602234029.db2.gz HYESGXMXBGVISF-UHFFFAOYSA-N -1 0 346.386 3.685 20 0 EHADRM COc1cc(NC(=O)c2csc(C(C)C)n2)ccc1NC(=O)[O-] ZINC000739869553 602234908 /nfs/dbraw/zinc/23/49/08/602234908.db2.gz NNBKQGRWXVEBMF-UHFFFAOYSA-N -1 0 335.385 3.617 20 0 EHADRM CCC[C@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(F)cc1F ZINC000245728240 602240538 /nfs/dbraw/zinc/24/05/38/602240538.db2.gz PUGYZRZKNNJIAB-HSMVNMDESA-N -1 0 339.382 3.813 20 0 EHADRM Cc1cc(NC(=O)c2cnc(-c3ccccc3)nc2C)ccc1C(=O)[O-] ZINC000237840104 602246117 /nfs/dbraw/zinc/24/61/17/602246117.db2.gz VFLBHDBSWDUNKT-UHFFFAOYSA-N -1 0 347.374 3.711 20 0 EHADRM C/C=C(/C=C/C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1)CC ZINC000828543495 602249982 /nfs/dbraw/zinc/24/99/82/602249982.db2.gz VLNPWDXFLZHPDA-YXGJEIQZSA-N -1 0 331.397 3.687 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc(-c3ccco3)s2)c2ccccc21 ZINC000833192532 602250963 /nfs/dbraw/zinc/25/09/63/602250963.db2.gz IHHJUIUUFLSZNK-GFCCVEGCSA-N -1 0 339.372 3.837 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)cc1 ZINC000237639852 602258843 /nfs/dbraw/zinc/25/88/43/602258843.db2.gz SOYVBCKBUFGKOK-UHFFFAOYSA-N -1 0 335.359 3.864 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)[C@H]2CC=CCC2)c2ccccc12 ZINC000237960750 602260353 /nfs/dbraw/zinc/26/03/53/602260353.db2.gz DYYAMVUENWGHJW-ZDUSSCGKSA-N -1 0 325.364 3.598 20 0 EHADRM C[C@@H]1CC/C(=C\C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)C1 ZINC000828208152 602260949 /nfs/dbraw/zinc/26/09/49/602260949.db2.gz ZTDQTWNPUNFEOU-MBFWDRTGSA-N -1 0 339.391 3.988 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000829009613 602271400 /nfs/dbraw/zinc/27/14/00/602271400.db2.gz IMLBACBKLZSEBE-HZPDHXFCSA-N -1 0 338.375 3.623 20 0 EHADRM O=C([O-])c1csc(NC(=O)N2CC[C@H](Cc3ccccc3)C2)c1 ZINC000833342311 602290595 /nfs/dbraw/zinc/29/05/95/602290595.db2.gz JGLJJXJBCCXLMS-CYBMUJFWSA-N -1 0 330.409 3.543 20 0 EHADRM CC(C)(NC(=O)Cc1ccc(NC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000738752305 602296082 /nfs/dbraw/zinc/29/60/82/602296082.db2.gz GTVUOFZTHRRBCA-UHFFFAOYSA-N -1 0 330.359 3.510 20 0 EHADRM O=C([O-])CCCCNC(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F ZINC000833224956 602297846 /nfs/dbraw/zinc/29/78/46/602297846.db2.gz JTNYEOZSXIIDLN-FMIVXFBMSA-N -1 0 349.736 3.657 20 0 EHADRM C[C@@H](CCNC(=O)Nc1ccc(SC(C)(C)C)cc1)NC(=O)[O-] ZINC000738902367 602300966 /nfs/dbraw/zinc/30/09/66/602300966.db2.gz SAXSDOURUROZMB-NSHDSACASA-N -1 0 339.461 3.745 20 0 EHADRM Cc1cccc2sc(C(=O)NC(C)(C)CNC(=O)[O-])c(Cl)c21 ZINC000740178406 602307642 /nfs/dbraw/zinc/30/76/42/602307642.db2.gz ICKRIQUOYWSCNB-UHFFFAOYSA-N -1 0 340.832 3.639 20 0 EHADRM CCOc1cc(Cl)ccc1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000830049817 602310731 /nfs/dbraw/zinc/31/07/31/602310731.db2.gz QIUJPSVDQKNGIQ-UHFFFAOYSA-N -1 0 348.786 3.759 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N1CCc2cc(Cl)c(Cl)cc2[C@@H]1C ZINC000827264191 602328101 /nfs/dbraw/zinc/32/81/01/602328101.db2.gz XHMCRKUOZMOILS-BDAKNGLRSA-N -1 0 330.211 3.550 20 0 EHADRM C[C@H](NC(=O)[C@@H](NC(=O)[O-])c1ccccc1)c1ccccc1Cl ZINC000739019157 602340921 /nfs/dbraw/zinc/34/09/21/602340921.db2.gz WYLUKBOFJAUJRS-NHYWBVRUSA-N -1 0 332.787 3.526 20 0 EHADRM O=C([O-])c1coc(CN2CCCC[C@@H]2c2nc3ccccc3o2)c1 ZINC000833339264 602342893 /nfs/dbraw/zinc/34/28/93/602342893.db2.gz IIMWRINLZSPFLH-OAHLLOKOSA-N -1 0 326.352 3.846 20 0 EHADRM CC(C)c1cccc(C(=O)Oc2ccc(SCC(=O)[O-])cc2)n1 ZINC000827134172 602347604 /nfs/dbraw/zinc/34/76/04/602347604.db2.gz IGPBQKIYNVTNPM-UHFFFAOYSA-N -1 0 331.393 3.601 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000776647022 602353813 /nfs/dbraw/zinc/35/38/13/602353813.db2.gz XPMWFVMEYJZJSV-NSHDSACASA-N -1 0 331.343 3.665 20 0 EHADRM Cn1cc(NC(=O)N[C@H](c2ccccc2)C2CCCC2)cc1C(=O)[O-] ZINC000833048196 602357363 /nfs/dbraw/zinc/35/73/63/602357363.db2.gz FFUYTAWVFFZRRX-QGZVFWFLSA-N -1 0 341.411 3.776 20 0 EHADRM Cc1cc2[nH]c(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)cc2c(C)c1 ZINC000767202484 602358591 /nfs/dbraw/zinc/35/85/91/602358591.db2.gz ZZUCHKPNXNYMQM-UHFFFAOYSA-N -1 0 326.327 3.874 20 0 EHADRM CC(C)c1ccc([C@@H](CNC(=O)CCC(C)(F)F)NC(=O)[O-])cc1 ZINC000738880229 602360095 /nfs/dbraw/zinc/36/00/95/602360095.db2.gz ZVSXRCXANSWESA-CQSZACIVSA-N -1 0 342.386 3.670 20 0 EHADRM Cn1cc(NC(=O)N2CCCCC[C@H]2c2ccccc2)cc1C(=O)[O-] ZINC000833049250 602361031 /nfs/dbraw/zinc/36/10/31/602361031.db2.gz SKEUXTMNUQKBNX-INIZCTEOSA-N -1 0 341.411 3.873 20 0 EHADRM CC(C)c1ccc([C@H](CNC(=O)c2cccs2)NC(=O)[O-])cc1 ZINC000738884509 602361588 /nfs/dbraw/zinc/36/15/88/602361588.db2.gz XJQNLICTVQEEAV-AWEZNQCLSA-N -1 0 332.425 3.610 20 0 EHADRM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000828515290 602369933 /nfs/dbraw/zinc/36/99/33/602369933.db2.gz AGXLFTUEVQNKSP-HWPZZCPQSA-N -1 0 328.343 3.579 20 0 EHADRM CCc1ccc(CN(C)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000830249739 602373036 /nfs/dbraw/zinc/37/30/36/602373036.db2.gz NCXAGJVCHKNKJT-UHFFFAOYSA-N -1 0 330.359 3.750 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCCc2ccc(Cl)s2)cc1F ZINC000319130846 602373967 /nfs/dbraw/zinc/37/39/67/602373967.db2.gz OXRYMRIILGHWPM-UHFFFAOYSA-N -1 0 342.779 3.603 20 0 EHADRM CN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000317891324 602380755 /nfs/dbraw/zinc/38/07/55/602380755.db2.gz BMWMFXBJKSMQLF-UHFFFAOYSA-N -1 0 342.779 3.903 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCc2ccc3ccccc3c2)cc1F ZINC000833145006 602380864 /nfs/dbraw/zinc/38/08/64/602380864.db2.gz LVRLPLRRIPOCIH-UHFFFAOYSA-N -1 0 338.338 3.999 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCC[C@@H]2c2ccsc2)cc1F ZINC000833319665 602382403 /nfs/dbraw/zinc/38/24/03/602382403.db2.gz MQUFPUQRWSJTTN-CQSZACIVSA-N -1 0 334.372 3.954 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccccc1OC ZINC000828951261 602387324 /nfs/dbraw/zinc/38/73/24/602387324.db2.gz HURAWVDHBLWLNM-OAHLLOKOSA-N -1 0 346.358 3.805 20 0 EHADRM COc1ccc(-c2noc(-c3cccc(NC(=O)[O-])c3)n2)cc1OC ZINC000737913136 602404936 /nfs/dbraw/zinc/40/49/36/602404936.db2.gz MNWGCRAGQBNVJG-UHFFFAOYSA-N -1 0 341.323 3.511 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(-c2cnc(C(C)(C)C)s2)n1 ZINC000738816881 602406896 /nfs/dbraw/zinc/40/68/96/602406896.db2.gz NDCMDFBBXFWBJC-VIFPVBQESA-N -1 0 338.433 3.845 20 0 EHADRM CCCc1nc(C)c(-c2nc([C@@H](CC(C)C)NC(=O)[O-])no2)s1 ZINC000739377848 602408569 /nfs/dbraw/zinc/40/85/69/602408569.db2.gz DPNRGFWKMRETGL-SNVBAGLBSA-N -1 0 338.433 3.809 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc([C@H]2C[C@H]2c2ccc(F)cc2)n1 ZINC000738814504 602409613 /nfs/dbraw/zinc/40/96/13/602409613.db2.gz CLCNRBNARZVCBT-IHRRRGAJSA-N -1 0 333.363 3.835 20 0 EHADRM Cc1ccc2oc(-c3nc([C@@H](CC(C)C)NC(=O)[O-])no3)cc2n1 ZINC000740157548 602410057 /nfs/dbraw/zinc/41/00/57/602410057.db2.gz AVHOUNGNUZBBBM-LLVKDONJSA-N -1 0 330.344 3.541 20 0 EHADRM COc1ccc(/C=C/c2nc([C@H](CC(C)C)NC(=O)[O-])no2)cc1 ZINC000739895698 602410092 /nfs/dbraw/zinc/41/00/92/602410092.db2.gz YHLUPMQBCDDLJE-MRZGDXHCSA-N -1 0 331.372 3.603 20 0 EHADRM Cc1ccc(OCc2nc([C@@H](CC(C)C)NC(=O)[O-])no2)cc1C ZINC000740142878 602411241 /nfs/dbraw/zinc/41/12/41/602411241.db2.gz AECJWLQLBKTAQB-CQSZACIVSA-N -1 0 333.388 3.620 20 0 EHADRM O=C([O-])NC1(c2noc(CCc3ccccc3Cl)n2)CCCC1 ZINC000740549604 602412536 /nfs/dbraw/zinc/41/25/36/602412536.db2.gz BMGMIIABUUHZJJ-UHFFFAOYSA-N -1 0 335.791 3.545 20 0 EHADRM CC(C)c1cccc(O[C@H](C)c2nc(C3(NC(=O)[O-])CCC3)no2)c1 ZINC000738877389 602417569 /nfs/dbraw/zinc/41/75/69/602417569.db2.gz QHPRCIWKSGVSHV-GFCCVEGCSA-N -1 0 345.399 3.980 20 0 EHADRM CC(C)c1ccccc1NC(=O)COc1cccc(CNC(=O)[O-])c1 ZINC000738875637 602425969 /nfs/dbraw/zinc/42/59/69/602425969.db2.gz FYCFTOAJERAIPT-UHFFFAOYSA-N -1 0 342.395 3.595 20 0 EHADRM COc1ccc(C)cc1NC(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000739888277 602454195 /nfs/dbraw/zinc/45/41/95/602454195.db2.gz CMFXWPOQTQJCQU-OAHLLOKOSA-N -1 0 342.395 3.731 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)Nc1cc(F)cc(F)c1)c1ccccc1 ZINC000740537831 602456075 /nfs/dbraw/zinc/45/60/75/602456075.db2.gz BIKYRJUQERPGFU-OAHLLOKOSA-N -1 0 334.322 3.692 20 0 EHADRM Cc1cc(C)c(NC(=O)N2CCC([C@@H](C)NC(=O)[O-])CC2)c(C)c1 ZINC000740064861 602464821 /nfs/dbraw/zinc/46/48/21/602464821.db2.gz BVHMARUCLDWNPR-CQSZACIVSA-N -1 0 333.432 3.512 20 0 EHADRM Cc1nc2ccc(NC(=O)c3ccc(F)c(NC(=O)[O-])c3)cc2o1 ZINC000740229276 602483647 /nfs/dbraw/zinc/48/36/47/602483647.db2.gz HSHCXCSQLNUHJO-UHFFFAOYSA-N -1 0 329.287 3.618 20 0 EHADRM Cc1cc(C)c(CNC(=O)c2ccc(F)c(NC(=O)[O-])c2)c(C)c1 ZINC000740063377 602484287 /nfs/dbraw/zinc/48/42/87/602484287.db2.gz LVLLFTRVTAVTPV-UHFFFAOYSA-N -1 0 330.359 3.771 20 0 EHADRM O=C([O-])Nc1cc(C(=O)NCc2cc3c(s2)CCCC3)ccc1F ZINC000740694857 602485825 /nfs/dbraw/zinc/48/58/25/602485825.db2.gz AJZXEBGLEKAGRA-UHFFFAOYSA-N -1 0 348.399 3.786 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N[C@H]2CCc3c2cccc3Cl)ccc1F ZINC000740694815 602486413 /nfs/dbraw/zinc/48/64/13/602486413.db2.gz AMKHNYBXXKEIQB-AWEZNQCLSA-N -1 0 348.761 3.986 20 0 EHADRM C[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739047451 602502598 /nfs/dbraw/zinc/50/25/98/602502598.db2.gz QRMUITVFLCOYJQ-LBPRGKRZSA-N -1 0 340.379 3.671 20 0 EHADRM CCS[C@H](C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-])C(C)C ZINC000739518336 602509990 /nfs/dbraw/zinc/50/99/90/602509990.db2.gz HWKLJSWVXNNCNR-HNNXBMFYSA-N -1 0 336.457 3.833 20 0 EHADRM CC[C@H]1CN(C(=O)c2cc3ccccc3cc2NC(=O)[O-])C[C@@H](C)O1 ZINC000739277972 602538138 /nfs/dbraw/zinc/53/81/38/602538138.db2.gz HWJVCHTUNGVJEQ-DOMZBBRYSA-N -1 0 342.395 3.569 20 0 EHADRM CN(C(=O)[O-])C1CCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000737928971 602540612 /nfs/dbraw/zinc/54/06/12/602540612.db2.gz ISHMAANVAIYZEP-UHFFFAOYSA-N -1 0 346.214 3.600 20 0 EHADRM O=C([O-])Nc1cc(C(=O)OCc2cnc3ccccc3c2)ccc1F ZINC000740695464 602566818 /nfs/dbraw/zinc/56/68/18/602566818.db2.gz RQVZJQPNJJJJET-UHFFFAOYSA-N -1 0 340.310 3.821 20 0 EHADRM CCc1ccccc1NC(=O)N1CCC[C@@H]([C@@H]2CCCN2C(=O)[O-])C1 ZINC000739550266 602581397 /nfs/dbraw/zinc/58/13/97/602581397.db2.gz OTUDRIWTCCRVNZ-WBVHZDCISA-N -1 0 345.443 3.635 20 0 EHADRM Cc1cc(-c2ccccc2)ccc1NC(=O)N[C@@H]1CCN(C(=O)[O-])C1 ZINC000740047131 602599876 /nfs/dbraw/zinc/59/98/76/602599876.db2.gz CBBHUUGGIYQASG-MRXNPFEDSA-N -1 0 339.395 3.536 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NCCc2ccc(Cl)s2)cc1 ZINC000740711271 602600760 /nfs/dbraw/zinc/60/07/60/602600760.db2.gz WBIVGUFWPLZWCY-UHFFFAOYSA-N -1 0 339.804 3.856 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N[C@H]2C[C@H]2c2cccc(F)c2)cc1 ZINC000740710079 602600964 /nfs/dbraw/zinc/60/09/64/602600964.db2.gz JWENFYAUWYSJDN-GJZGRUSLSA-N -1 0 329.331 3.593 20 0 EHADRM CCC1CCN(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])CC1 ZINC000739269781 602605104 /nfs/dbraw/zinc/60/51/04/602605104.db2.gz WEQAFEUVVMSSIC-UHFFFAOYSA-N -1 0 331.416 3.771 20 0 EHADRM C[C@@H](c1ccco1)N(C)C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739058008 602605273 /nfs/dbraw/zinc/60/52/73/602605273.db2.gz FQDPLWCILOEKPQ-LBPRGKRZSA-N -1 0 343.383 3.935 20 0 EHADRM CC1(C)CCN(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])CC1 ZINC000739065563 602605294 /nfs/dbraw/zinc/60/52/94/602605294.db2.gz CJKFDMNFZHSMOQ-UHFFFAOYSA-N -1 0 331.416 3.771 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)NCc3cccc(F)c3)ccc21 ZINC000740447671 602606598 /nfs/dbraw/zinc/60/65/98/602606598.db2.gz IDZPJSVMWYIWPP-UHFFFAOYSA-N -1 0 343.358 3.578 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)N3CCCCCCC3)ccc21 ZINC000740465446 602606643 /nfs/dbraw/zinc/60/66/43/602606643.db2.gz PPJFMQPCLDSPEE-UHFFFAOYSA-N -1 0 331.416 3.915 20 0 EHADRM O=C([O-])N1CCC[C@H](CCNC(=O)c2cccc(Cl)c2Cl)C1 ZINC000740426659 602633827 /nfs/dbraw/zinc/63/38/27/602633827.db2.gz XWPMPDPZKULEAX-SNVBAGLBSA-N -1 0 345.226 3.503 20 0 EHADRM CCc1ccc(C(=O)N2CCCc3cc(CNC(=O)[O-])ccc32)s1 ZINC000739545271 602647058 /nfs/dbraw/zinc/64/70/58/602647058.db2.gz ULGYCSGPEHHQKF-UHFFFAOYSA-N -1 0 344.436 3.671 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)OC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000738952324 602651615 /nfs/dbraw/zinc/65/16/15/602651615.db2.gz SBKVMMUCCVKGQM-RDGKXADDSA-N -1 0 349.452 3.631 20 0 EHADRM C[C@@H](NC(=O)C1CCC(NC(=O)[O-])CC1)c1csc2ccccc21 ZINC000738954843 602675818 /nfs/dbraw/zinc/67/58/18/602675818.db2.gz NXVWAGUQALXMHM-PNESKVBLSA-N -1 0 346.452 3.905 20 0 EHADRM CC1(CNC(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])CCCC1 ZINC000739071920 602682343 /nfs/dbraw/zinc/68/23/43/602682343.db2.gz YNVQVBFLGYYPBA-UHFFFAOYSA-N -1 0 331.416 3.819 20 0 EHADRM CC(=O)c1c(C)[nH]c(-c2csc(C3(NC(=O)[O-])CCCC3)n2)c1C ZINC000738586541 602684876 /nfs/dbraw/zinc/68/48/76/602684876.db2.gz UVDISNDPSVSRMQ-UHFFFAOYSA-N -1 0 347.440 3.995 20 0 EHADRM CC[C@H](NC(=O)N1CCC([C@H](C)NC(=O)[O-])CC1)c1ccc(C)cc1 ZINC000739264256 602692945 /nfs/dbraw/zinc/69/29/45/602692945.db2.gz RVYGUUHGIYYUPJ-YOEHRIQHSA-N -1 0 347.459 3.524 20 0 EHADRM CCN(Cc1ccccc1NC(=O)/C=C\c1cnc(C)s1)C(=O)[O-] ZINC000739445030 602698825 /nfs/dbraw/zinc/69/88/25/602698825.db2.gz RPFZLOQHBSGBNA-HJWRWDBZSA-N -1 0 345.424 3.603 20 0 EHADRM CC(C)COc1ccc(CC(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000736446411 602726821 /nfs/dbraw/zinc/72/68/21/602726821.db2.gz QQYLSLXWWWVPKK-UHFFFAOYSA-N -1 0 342.395 3.993 20 0 EHADRM CSc1ccc(N(C)C(=O)c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000740018350 602732200 /nfs/dbraw/zinc/73/22/00/602732200.db2.gz CFXJDZWDXQOAKC-UHFFFAOYSA-N -1 0 334.372 3.914 20 0 EHADRM Cc1csc(C2(NC(=O)c3cccc(NC(=O)[O-])c3)CCCC2)n1 ZINC000738816384 602732974 /nfs/dbraw/zinc/73/29/74/602732974.db2.gz IJGAJDZNLVGIRG-UHFFFAOYSA-N -1 0 345.424 3.741 20 0 EHADRM CC(C)[C@@H](c1ccccc1)N(C)C(=O)CC1CCN(C(=O)[O-])CC1 ZINC000738800684 602735724 /nfs/dbraw/zinc/73/57/24/602735724.db2.gz OXJDUKAWDPVHGE-SFHVURJKSA-N -1 0 332.444 3.622 20 0 EHADRM CCCN(C(=O)C[C@H]1CCCN1C(=O)[O-])[C@@H](C)c1ccccc1OC ZINC000826858434 602761859 /nfs/dbraw/zinc/76/18/59/602761859.db2.gz NUBORMFXGHHVJP-LSDHHAIUSA-N -1 0 348.443 3.527 20 0 EHADRM CC(C)(CCC(=O)Nc1ccc(SC(F)F)cc1)NC(=O)[O-] ZINC000738745221 602782187 /nfs/dbraw/zinc/78/21/87/602782187.db2.gz VBLFOEAEYMEQJS-UHFFFAOYSA-N -1 0 332.372 3.766 20 0 EHADRM C[C@H](NC(=O)CCC(C)(C)NC(=O)[O-])c1ccc2ccccc2c1 ZINC000738962500 602784974 /nfs/dbraw/zinc/78/49/74/602784974.db2.gz YDIYULKQQYRATC-ZDUSSCGKSA-N -1 0 328.412 3.843 20 0 EHADRM CC(C)(CCC(=O)Nc1ccc(Cl)c2cccnc12)NC(=O)[O-] ZINC000738744751 602787717 /nfs/dbraw/zinc/78/77/17/602787717.db2.gz PSXBHSMVEYTPMF-UHFFFAOYSA-N -1 0 335.791 3.653 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)[C@H](C)Cc2ccccc2F)c1 ZINC000739923373 602792727 /nfs/dbraw/zinc/79/27/27/602792727.db2.gz ZDOYBJLKUXAJDJ-LLVKDONJSA-N -1 0 346.358 3.742 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(Oc2ccncc2)c(Cl)c1)NC(=O)[O-] ZINC000824693768 602795109 /nfs/dbraw/zinc/79/51/09/602795109.db2.gz CTNFFNRZJVBCJL-JTQLQIEISA-N -1 0 349.774 3.512 20 0 EHADRM O=C([O-])N1CCC(N(C(=O)CC/C=C/c2ccccc2)C2CC2)CC1 ZINC000740502970 602796139 /nfs/dbraw/zinc/79/61/39/602796139.db2.gz WMDIWNJWZLBPBZ-XBXARRHUSA-N -1 0 342.439 3.613 20 0 EHADRM C[C@H](CCC1CCCCC1)NC(=O)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737667727 602806795 /nfs/dbraw/zinc/80/67/95/602806795.db2.gz IVSNHCFIJLXUKL-CQSZACIVSA-N -1 0 339.480 3.519 20 0 EHADRM C[C@H](NC(=O)[O-])[C@H]1CCCCN1C(=O)CC/C=C\c1ccccc1 ZINC000739000623 602811440 /nfs/dbraw/zinc/81/14/40/602811440.db2.gz ZUGAXPARIZWZBW-OPLZHYAJSA-N -1 0 330.428 3.517 20 0 EHADRM CC[C@H]1CN(C(=O)c2cccc(NC(=O)[O-])c2)c2ccccc2O1 ZINC000736943341 602813128 /nfs/dbraw/zinc/81/31/28/602813128.db2.gz KZGFJTKCKNGAEF-AWEZNQCLSA-N -1 0 326.352 3.594 20 0 EHADRM Cc1ccc([C@H](C)CNC(=O)Cc2ccc(NC(=O)[O-])cc2)cc1 ZINC000740111405 602814920 /nfs/dbraw/zinc/81/49/20/602814920.db2.gz SKRLFNYGGDQVJL-CQSZACIVSA-N -1 0 326.396 3.547 20 0 EHADRM C[C@H]1c2ccc(F)cc2CCN1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736839523 602816207 /nfs/dbraw/zinc/81/62/07/602816207.db2.gz BCMFQNBNMYRYHC-NSHDSACASA-N -1 0 328.343 3.675 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1)NC(=O)[O-] ZINC000824685356 602845599 /nfs/dbraw/zinc/84/55/99/602845599.db2.gz LAJLKBDFESKLGI-SNVBAGLBSA-N -1 0 334.322 3.617 20 0 EHADRM CCC[C@H](CC1CCCC1)C(=O)N1CCC([C@@H](C)NC(=O)[O-])CC1 ZINC000739308875 602849353 /nfs/dbraw/zinc/84/93/53/602849353.db2.gz ZRHHVTTWHQNEMG-RHSMWYFYSA-N -1 0 338.492 3.878 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN(C(=O)CCCCCCNC(=O)[O-])C1 ZINC000739072042 602855964 /nfs/dbraw/zinc/85/59/64/602855964.db2.gz NEQMXXWBNDCTTH-HXUWFJFHSA-N -1 0 346.471 3.785 20 0 EHADRM C[C@H](NC(=O)C[C@@H]1CCCN1C(=O)[O-])c1csc2ccccc21 ZINC000825109313 602870408 /nfs/dbraw/zinc/87/04/08/602870408.db2.gz UMOYVJLXSWJNRT-RYUDHWBXSA-N -1 0 332.425 3.611 20 0 EHADRM CCCCCC[C@H](C)C(=O)N1CCC[C@@H]([C@@H]2CCCN2C(=O)[O-])C1 ZINC000739333521 602875229 /nfs/dbraw/zinc/87/52/29/602875229.db2.gz YABFAVYLXYIAEX-BBWFWOEESA-N -1 0 338.492 3.974 20 0 EHADRM Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(C)c(NC(=O)[O-])c2)s1 ZINC000830715502 602878995 /nfs/dbraw/zinc/87/89/95/602878995.db2.gz FOEDNJDDAJLFLJ-NSHDSACASA-N -1 0 347.440 3.991 20 0 EHADRM COc1ccccc1[C@H](NC(=O)[O-])C(=O)Nc1cccc(Cl)c1C ZINC000739969125 602883253 /nfs/dbraw/zinc/88/32/53/602883253.db2.gz QEXLMNNKLPMFLA-HNNXBMFYSA-N -1 0 348.786 3.604 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1NC(=O)C[C@@H](C)NC(=O)[O-] ZINC000830129394 602899250 /nfs/dbraw/zinc/89/92/50/602899250.db2.gz QKQFKEOMLZBPHZ-CYBMUJFWSA-N -1 0 328.368 3.772 20 0 EHADRM CC[C@H](c1ccncc1)N(C)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739262813 602901227 /nfs/dbraw/zinc/90/12/27/602901227.db2.gz FYZBDUXAQMLQLN-OAHLLOKOSA-N -1 0 346.362 3.926 20 0 EHADRM C[C@]1(C(=O)Nc2cccc(CNC(=O)[O-])c2)CCc2ccccc2C1 ZINC000825684928 602905248 /nfs/dbraw/zinc/90/52/48/602905248.db2.gz NEEBJFYHNCTZSX-FQEVSTJZSA-N -1 0 338.407 3.588 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)N1C[C@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000740159894 602940600 /nfs/dbraw/zinc/94/06/00/602940600.db2.gz TWULDUIRSWAKJF-KBPBESRZSA-N -1 0 333.432 3.723 20 0 EHADRM C[C@H](NC(=O)CC(C)(C)NC(=O)[O-])c1cc(Cl)ccc1Cl ZINC000738958949 602950019 /nfs/dbraw/zinc/95/00/19/602950019.db2.gz PUTCZQAHVRULPR-QMMMGPOBSA-N -1 0 333.215 3.607 20 0 EHADRM C[C@@H](C(=O)NC(C)(C)c1cccs1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823676761 602955555 /nfs/dbraw/zinc/95/55/55/602955555.db2.gz GMBAMTSLSXURNC-DOMZBBRYSA-N -1 0 346.452 3.744 20 0 EHADRM COc1cc(NC(=O)[C@H](SC)c2ccccc2)ccc1NC(=O)[O-] ZINC000739869401 602961121 /nfs/dbraw/zinc/96/11/21/602961121.db2.gz XQWDMYQSUAZYHS-OAHLLOKOSA-N -1 0 346.408 3.828 20 0 EHADRM Cc1ccc(C(=O)N[C@H](c2ccccn2)C(C)C)cc1NC(=O)[O-] ZINC000830204240 602968012 /nfs/dbraw/zinc/96/80/12/602968012.db2.gz FABHMOTXAKQIPM-INIZCTEOSA-N -1 0 327.384 3.607 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NCCCC(C)(C)C ZINC000829182822 602977438 /nfs/dbraw/zinc/97/74/38/602977438.db2.gz SDBQMIGKYNUCAQ-UHFFFAOYSA-N -1 0 342.823 3.995 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@@H](Cc3ccccc3)C2)cc1NC(=O)[O-] ZINC000830186438 602990242 /nfs/dbraw/zinc/99/02/42/602990242.db2.gz HRHOSHWLBYQLQM-INIZCTEOSA-N -1 0 338.407 3.790 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2C(=O)C[C@@H]2CCCN2C(=O)[O-])cc1 ZINC000830281745 602990503 /nfs/dbraw/zinc/99/05/03/602990503.db2.gz LAAKOKGSMZFGPT-IRXDYDNUSA-N -1 0 330.428 3.581 20 0 EHADRM CC(C)[C@H](OC(=O)Cc1ccc(NC(=O)[O-])cc1)c1ccccn1 ZINC000738799602 602996214 /nfs/dbraw/zinc/99/62/14/602996214.db2.gz JGUFDHOSJXUCKK-KRWDZBQOSA-N -1 0 328.368 3.655 20 0 EHADRM CCC(CC)c1cc(CNC(=O)c2ccc(C)c(NC(=O)[O-])c2)on1 ZINC000826575208 602998622 /nfs/dbraw/zinc/99/86/22/602998622.db2.gz GDNPTYWRNFVVJB-UHFFFAOYSA-N -1 0 345.399 3.907 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc([C@H](C)Oc2ccccc2F)n1 ZINC000738815462 603001492 /nfs/dbraw/zinc/00/14/92/603001492.db2.gz GQMWQGYEUIHXDV-CMPLNLGQSA-N -1 0 337.351 3.704 20 0 EHADRM O=C([O-])NC1(c2noc(/C=C\Sc3ccccc3)n2)CCCC1 ZINC000740550591 603003771 /nfs/dbraw/zinc/00/37/71/603003771.db2.gz ZEVCEVJRSWKFAT-FLIBITNWSA-N -1 0 331.397 3.870 20 0 EHADRM Cc1ccccc1-c1noc(CC[C@@H](NC(=O)[O-])c2ccccc2)n1 ZINC000740178847 603006032 /nfs/dbraw/zinc/00/60/32/603006032.db2.gz NNVWWSRFTKQVAE-MRXNPFEDSA-N -1 0 337.379 3.987 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)C[C@H]1CCOc2ccccc21 ZINC000740714545 603007227 /nfs/dbraw/zinc/00/72/27/603007227.db2.gz RUEIUFWCKILGSV-GFCCVEGCSA-N -1 0 326.352 3.671 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)N2CCc3c(Cl)cccc3C2)cc1 ZINC000740702041 603008170 /nfs/dbraw/zinc/00/81/70/603008170.db2.gz RVNYKKOFMFVDNU-UHFFFAOYSA-N -1 0 344.798 3.557 20 0 EHADRM CC[C@@H](c1ccncc1)N(CC)C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736929592 603008463 /nfs/dbraw/zinc/00/84/63/603008463.db2.gz MKSVEUAKLZUMGT-INIZCTEOSA-N -1 0 327.384 3.785 20 0 EHADRM Cc1cccc(NC(=O)CNc2cc(NC(=O)[O-])ccc2F)c1C ZINC000740172896 603020112 /nfs/dbraw/zinc/02/01/12/603020112.db2.gz ZKWFCBLMUFDRDW-UHFFFAOYSA-N -1 0 331.347 3.583 20 0 EHADRM Cc1ccc(NC(=O)CNc2cc(NC(=O)[O-])ccc2F)c(C)c1 ZINC000740135698 603020242 /nfs/dbraw/zinc/02/02/42/603020242.db2.gz MKFTZROGBVPDMT-UHFFFAOYSA-N -1 0 331.347 3.583 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)NCC[C@H](C)NC(=O)[O-] ZINC000738759650 603022591 /nfs/dbraw/zinc/02/25/91/603022591.db2.gz KEHNRCIWEUQKNJ-ZDUSSCGKSA-N -1 0 336.457 3.521 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N[C@H]2CCc3c2cccc3F)c1 ZINC000740706199 603033951 /nfs/dbraw/zinc/03/39/51/603033951.db2.gz IODDRUQYALMDGL-AWEZNQCLSA-N -1 0 347.321 3.864 20 0 EHADRM CC(C)N(CCC(=O)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1)C(=O)[O-] ZINC000739083773 603037751 /nfs/dbraw/zinc/03/77/51/603037751.db2.gz PMIQJDANJMXKBA-XJKSGUPXSA-N -1 0 336.407 3.514 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)[C@H]2CSc3ccccc32)cc1 ZINC000827908073 603042837 /nfs/dbraw/zinc/04/28/37/603042837.db2.gz IKERBALRCTWPEA-AWEZNQCLSA-N -1 0 329.377 3.596 20 0 EHADRM Cc1cc(Cl)ccc1OCC(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000830050682 603049211 /nfs/dbraw/zinc/04/92/11/603049211.db2.gz WLTJASFWYSYTOX-UHFFFAOYSA-N -1 0 349.770 3.747 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000827898840 603049551 /nfs/dbraw/zinc/04/95/51/603049551.db2.gz AFTGMZCSMIKOJQ-KBPBESRZSA-N -1 0 347.317 3.788 20 0 EHADRM CC(C)N(C(=O)[C@H]1CCCN(C(=O)[O-])C1)c1ccc(F)cc1Cl ZINC000737635370 603054345 /nfs/dbraw/zinc/05/43/45/603054345.db2.gz SGUUBPYLESRPJO-NSHDSACASA-N -1 0 342.798 3.611 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1)NC(=O)[O-] ZINC000824696133 603055129 /nfs/dbraw/zinc/05/51/29/603055129.db2.gz QQOHYPIWEKSRHY-SNVBAGLBSA-N -1 0 349.774 3.512 20 0 EHADRM O=C([O-])Nc1cc2ccccc2cc1C(=O)NCc1cccc(O)c1 ZINC000740695925 603056095 /nfs/dbraw/zinc/05/60/95/603056095.db2.gz UISJPXCHELIYMG-UHFFFAOYSA-N -1 0 336.347 3.565 20 0 EHADRM O=C([O-])NC1(C(=O)Nc2ccc(COC3CCCC3)cc2)CCCC1 ZINC000740540785 603080201 /nfs/dbraw/zinc/08/02/01/603080201.db2.gz AKKMDBFYGDVEEY-UHFFFAOYSA-N -1 0 346.427 3.665 20 0 EHADRM O=C([O-])NC1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC000739928030 603082597 /nfs/dbraw/zinc/08/25/97/603082597.db2.gz HWUTVCCCYVQHOG-UHFFFAOYSA-N -1 0 327.380 3.539 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)NC1CCC(NC(=O)[O-])CC1)C(C)C ZINC000740188654 603099581 /nfs/dbraw/zinc/09/95/81/603099581.db2.gz XXRJEJMJVSKTGW-VMBOVVBDSA-N -1 0 347.459 3.570 20 0 EHADRM CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000738763609 603100559 /nfs/dbraw/zinc/10/05/59/603100559.db2.gz BDLCLJHKQULZFA-LLVKDONJSA-N -1 0 346.349 3.754 20 0 EHADRM C[C@@H](CC1CCCC1)C(=O)N1CCC([C@@H]2CCCN2C(=O)[O-])CC1 ZINC000738896291 603109269 /nfs/dbraw/zinc/10/92/69/603109269.db2.gz NEOLJDYKZCLNDO-YOEHRIQHSA-N -1 0 336.476 3.584 20 0 EHADRM O=C([O-])NC[C@@H](NC(=O)Nc1ccccc1-c1cccs1)C1CC1 ZINC000740608291 603114293 /nfs/dbraw/zinc/11/42/93/603114293.db2.gz MVBSHVMFSKCNER-CQSZACIVSA-N -1 0 345.424 3.583 20 0 EHADRM CCC[C@@H](NC(=O)[O-])C(=O)Nc1cccc(Nc2ccccc2)c1 ZINC000739320713 603114760 /nfs/dbraw/zinc/11/47/60/603114760.db2.gz HJEIEZHOUHZNHF-MRXNPFEDSA-N -1 0 327.384 3.805 20 0 EHADRM CN(Cc1ccccc1NC(=O)Cc1cnc2ccccc2c1)C(=O)[O-] ZINC000739713396 603136945 /nfs/dbraw/zinc/13/69/45/603136945.db2.gz ITTZRMFRCAMRBT-UHFFFAOYSA-N -1 0 349.390 3.526 20 0 EHADRM CSc1ccccc1NC(=O)[C@@H](C)Oc1ccc(NC(=O)[O-])cc1 ZINC000829771219 603157311 /nfs/dbraw/zinc/15/73/11/603157311.db2.gz BGVQRTGLNDGRPM-LLVKDONJSA-N -1 0 346.408 3.904 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2cc(C3CCCCC3)[nH]n2)c1 ZINC000740034266 603160760 /nfs/dbraw/zinc/16/07/60/603160760.db2.gz UMGCVZFIKXECFF-UHFFFAOYSA-N -1 0 328.372 3.800 20 0 EHADRM Cc1ccc(C)c([C@H](C)N(C)C(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)c1 ZINC000740117331 603166568 /nfs/dbraw/zinc/16/65/68/603166568.db2.gz RJWQBUSYNZMWPW-XHSDSOJGSA-N -1 0 332.444 3.649 20 0 EHADRM CSc1ccccc1C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000829772561 603172166 /nfs/dbraw/zinc/17/21/66/603172166.db2.gz ZUNIGBXCGSRQTC-NSHDSACASA-N -1 0 330.409 3.989 20 0 EHADRM CC(C)C[C@](C)(CNC(=O)[O-])NC(=S)Nc1ccccc1Cl ZINC000738808285 603173680 /nfs/dbraw/zinc/17/36/80/603173680.db2.gz SKKUMMUNHSQVAW-OAHLLOKOSA-N -1 0 343.880 3.699 20 0 EHADRM C[C@H]1CN(C(=S)Nc2ccc3ccccc3c2)CC[C@@H]1NC(=O)[O-] ZINC000739177791 603176237 /nfs/dbraw/zinc/17/62/37/603176237.db2.gz PIXXWFNBNCELIU-LRDDRELGSA-N -1 0 343.452 3.515 20 0 EHADRM CCOc1ccc(CC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1 ZINC000827428514 603179869 /nfs/dbraw/zinc/17/98/69/603179869.db2.gz UOVHUECWVHAATI-CYBMUJFWSA-N -1 0 342.395 3.595 20 0 EHADRM O=C([O-])N1CCc2c(cccc2NC(=O)c2coc3ccccc23)C1 ZINC000740473513 603179852 /nfs/dbraw/zinc/17/98/52/603179852.db2.gz HOKFHVYAQRZMMQ-UHFFFAOYSA-N -1 0 336.347 3.721 20 0 EHADRM Cc1cccc(C)c1OCC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000830489194 603181639 /nfs/dbraw/zinc/18/16/39/603181639.db2.gz RIVXDDYNTCQRRO-CQSZACIVSA-N -1 0 342.395 3.650 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2Cl)CC[C@H]1NC(=O)[O-] ZINC000739143299 603184185 /nfs/dbraw/zinc/18/41/85/603184185.db2.gz BTARGMSYWXJWCH-LDYMZIIASA-N -1 0 346.214 3.503 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)Nc2scnc2-c2ccccc2)C1 ZINC000740561866 603186993 /nfs/dbraw/zinc/18/69/93/603186993.db2.gz DVGLTBPGMVREAE-CHWSQXEVSA-N -1 0 345.424 3.575 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000825022340 603190799 /nfs/dbraw/zinc/19/07/99/603190799.db2.gz DQEDXACGRXZRHY-STQMWFEESA-N -1 0 344.386 3.972 20 0 EHADRM CO[C@](C)(C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1)c1ccccc1 ZINC000828817846 603193826 /nfs/dbraw/zinc/19/38/26/603193826.db2.gz OMJOFYOEOUWTJR-DJJJIMSYSA-N -1 0 342.395 3.516 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2cc3ccsc3[nH]2)cc1 ZINC000825442415 603195106 /nfs/dbraw/zinc/19/51/06/603195106.db2.gz GHMHWULDDVOQGV-SECBINFHSA-N -1 0 329.381 3.810 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCc3ccccc3C2)c(Cl)c1 ZINC000740699089 603199308 /nfs/dbraw/zinc/19/93/08/603199308.db2.gz PRLRJOMREQNMAR-UHFFFAOYSA-N -1 0 330.771 3.628 20 0 EHADRM CC(C)[C@H](c1ccccc1)N(C)C(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000738799208 603203710 /nfs/dbraw/zinc/20/37/10/603203710.db2.gz HCIQEOZARCKQIA-YESZJQIVSA-N -1 0 332.444 3.669 20 0 EHADRM CN(Cc1ccccc1F)C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739709526 603204166 /nfs/dbraw/zinc/20/41/66/603204166.db2.gz GXZAKUNBVZMKNL-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(Nc2nccc(C(F)(F)F)n2)cc1 ZINC000825454974 603206920 /nfs/dbraw/zinc/20/69/20/603206920.db2.gz ZLPWTWFPWFOROA-QMMMGPOBSA-N -1 0 326.278 3.568 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)N2CCCCC[C@H]2c2ccco2)C1 ZINC000740560711 603210978 /nfs/dbraw/zinc/21/09/78/603210978.db2.gz AWNUSJLEQVRDCB-KFWWJZLASA-N -1 0 334.416 3.550 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N(C)c1ccccc1 ZINC000829167215 603211290 /nfs/dbraw/zinc/21/12/90/603211290.db2.gz HGAWKSUESYPBCL-UHFFFAOYSA-N -1 0 334.759 3.715 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)Nc1ccc(C)cc1 ZINC000829188496 603211753 /nfs/dbraw/zinc/21/17/53/603211753.db2.gz VKLVAMLLISXSEQ-UHFFFAOYSA-N -1 0 334.759 3.999 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NCC1CCCCC1 ZINC000829183006 603215578 /nfs/dbraw/zinc/21/55/78/603215578.db2.gz VDKWWXKJLGMPPE-UHFFFAOYSA-N -1 0 340.807 3.749 20 0 EHADRM C[C@@H](C(=O)NCc1cccc(Cl)c1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823705486 603216292 /nfs/dbraw/zinc/21/62/92/603216292.db2.gz WRWZDWQKRDVKFV-WBMJQRKESA-N -1 0 346.814 3.601 20 0 EHADRM C[C@H](C(=O)Nc1ccc(F)cc1F)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823715209 603216295 /nfs/dbraw/zinc/21/62/95/603216295.db2.gz RGGJKOMFLHYHJM-BONVTDFDSA-N -1 0 334.322 3.548 20 0 EHADRM CN(C)c1ccccc1NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739619842 603217442 /nfs/dbraw/zinc/21/74/42/603217442.db2.gz WMRZALAMFNHHDK-UHFFFAOYSA-N -1 0 333.775 3.748 20 0 EHADRM CC[C@](C)(NC(=O)c1cccc(NC(=O)[O-])c1)c1nc(C)cs1 ZINC000736861753 603221341 /nfs/dbraw/zinc/22/13/41/603221341.db2.gz VAZBFYZJBXRFMK-INIZCTEOSA-N -1 0 333.413 3.597 20 0 EHADRM CC[C@@](C)(NC(=O)Cc1ccc(NC(=O)[O-])cc1)c1nc(C)cs1 ZINC000739218710 603222054 /nfs/dbraw/zinc/22/20/54/603222054.db2.gz LQLKEJNXNZAXAB-QGZVFWFLSA-N -1 0 347.440 3.526 20 0 EHADRM C[C@@H](C(=O)Nc1cccc2ncccc21)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823723469 603224694 /nfs/dbraw/zinc/22/46/94/603224694.db2.gz KWWZMWQVIMEZSU-FZKQIMNGSA-N -1 0 349.390 3.818 20 0 EHADRM Cc1ccc(CN(C)C(=O)[C@@H](C)[C@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000830302860 603230124 /nfs/dbraw/zinc/23/01/24/603230124.db2.gz PMHCEGRAIPRNBP-YJBOKZPZSA-N -1 0 340.423 3.598 20 0 EHADRM C[C@H](NC(=O)[O-])C1CCN(c2ccnc3ccc(Cl)cc32)CC1 ZINC000739016560 603232299 /nfs/dbraw/zinc/23/22/99/603232299.db2.gz IRTAOMSOYGGPOW-NSHDSACASA-N -1 0 333.819 3.761 20 0 EHADRM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C2CCN(C(=O)[O-])CC2)o1 ZINC000827585107 603232695 /nfs/dbraw/zinc/23/26/95/603232695.db2.gz ZRAVKVYYJIAUOB-BBRMVZONSA-N -1 0 348.443 3.532 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)cc1NC(=O)[O-] ZINC000830203887 603235546 /nfs/dbraw/zinc/23/55/46/603235546.db2.gz BBEZNXUXWPYDCH-JTQLQIEISA-N -1 0 334.322 3.854 20 0 EHADRM C[C@H](NC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1)c1cccs1 ZINC000825066998 603236659 /nfs/dbraw/zinc/23/66/59/603236659.db2.gz QSIPTWWSMYGXAB-SLEUVZQESA-N -1 0 332.425 3.570 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=S)N[C@@H]2CCCC[C@H]2C)cc1 ZINC000825448360 603238544 /nfs/dbraw/zinc/23/85/44/603238544.db2.gz DLRYSTAYJQLWAW-TYNCELHUSA-N -1 0 335.473 3.880 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=S)Nc2ccccc2F)cc1 ZINC000825448387 603238838 /nfs/dbraw/zinc/23/88/38/603238838.db2.gz DYTJIYYTMUUTIV-JTQLQIEISA-N -1 0 333.388 3.963 20 0 EHADRM C[C@H](C(=O)NCCC1=CCCCC1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823693150 603239666 /nfs/dbraw/zinc/23/96/66/603239666.db2.gz JUWRCUAPIBTZLK-YOEHRIQHSA-N -1 0 330.428 3.638 20 0 EHADRM CCc1cccc(C)c1NC(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[O-] ZINC000827594946 603245063 /nfs/dbraw/zinc/24/50/63/603245063.db2.gz JOGUUURPZJPBFZ-HUUCEWRRSA-N -1 0 333.432 3.505 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000823859721 603251200 /nfs/dbraw/zinc/25/12/00/603251200.db2.gz XLDASPJDAGJTDO-AGUYFDCRSA-N -1 0 345.443 3.779 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NCC2Cc3ccccc3C2)c(Cl)c1 ZINC000740698739 603252907 /nfs/dbraw/zinc/25/29/07/603252907.db2.gz PWPGBAFQSMVSSZ-UHFFFAOYSA-N -1 0 344.798 3.575 20 0 EHADRM Cc1ccc(NC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c2ccccc2)c(F)c1 ZINC000830352861 603256081 /nfs/dbraw/zinc/25/60/81/603256081.db2.gz KUSXNUNRIMXAOY-BLLLJJGKSA-N -1 0 330.359 3.718 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)NC2(c3cccc(Cl)c3)CC2)cc1 ZINC000740703839 603262328 /nfs/dbraw/zinc/26/23/28/603262328.db2.gz XUQUVVSBDOOWNA-UHFFFAOYSA-N -1 0 344.798 3.778 20 0 EHADRM C[C@H](C(=O)Nc1cnc2ccccc2c1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823725152 603271633 /nfs/dbraw/zinc/27/16/33/603271633.db2.gz XCSUKEWGIHHQPU-SCLBCKFNSA-N -1 0 349.390 3.818 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)o1 ZINC000832678468 603299703 /nfs/dbraw/zinc/29/97/03/603299703.db2.gz OGDJAVQGAWJFJA-UHFFFAOYSA-N -1 0 348.786 3.505 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)[C@H](C)[C@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000830251600 603299823 /nfs/dbraw/zinc/29/98/23/603299823.db2.gz RDNZMCOIOBWJAA-VKJFTORMSA-N -1 0 340.423 3.817 20 0 EHADRM Cc1occc1C(=O)N(c1ccccc1F)C1CCN(C(=O)[O-])CC1 ZINC000740270197 603299978 /nfs/dbraw/zinc/29/99/78/603299978.db2.gz FPDUQXWBBDKBLZ-UHFFFAOYSA-N -1 0 346.358 3.516 20 0 EHADRM C[C@@H](NC(=O)c1ccc(CNC(=O)[O-])o1)c1ccc(C(C)(C)C)cc1 ZINC000825459895 603301072 /nfs/dbraw/zinc/30/10/72/603301072.db2.gz SNKMZAGYUXZNCW-GFCCVEGCSA-N -1 0 344.411 3.836 20 0 EHADRM C[C@@H]1Cc2ccccc2CN1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000826093530 603310596 /nfs/dbraw/zinc/31/05/96/603310596.db2.gz GKTGHHNAIVDGLE-GFCCVEGCSA-N -1 0 325.368 3.755 20 0 EHADRM CN(C(=O)C1CCC(c2ccccc2)CC1)C1CCN(C(=O)[O-])CC1 ZINC000827737903 603324401 /nfs/dbraw/zinc/32/44/01/603324401.db2.gz DTCCEEFHSTWNDT-UHFFFAOYSA-N -1 0 344.455 3.561 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)Nc2ccccc2CN(C)C(=O)[O-])[C@@H](C)C1 ZINC000739084078 603333763 /nfs/dbraw/zinc/33/37/63/603333763.db2.gz GZHPLAGAUQPQCP-IPYPFGDCSA-N -1 0 333.432 3.743 20 0 EHADRM CC(C)C[C@@H]1CCCN1C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000738823660 603333859 /nfs/dbraw/zinc/33/38/59/603333859.db2.gz MSHHXKWOJGVLCL-HNNXBMFYSA-N -1 0 333.432 3.839 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc3ncsc3c2)cc1NC(=O)[O-] ZINC000830230990 603334093 /nfs/dbraw/zinc/33/40/93/603334093.db2.gz VSPPUNKBFDTLQQ-UHFFFAOYSA-N -1 0 327.365 3.947 20 0 EHADRM CCN(Cc1ccccc1NC(=O)NCCC1CCCC1)C(=O)[O-] ZINC000739443549 603349029 /nfs/dbraw/zinc/34/90/29/603349029.db2.gz PSNMHQYZGWNENL-UHFFFAOYSA-N -1 0 333.432 3.888 20 0 EHADRM CCOc1cc(NC(=O)c2ccc(C)c(NC(=O)[O-])c2)ccc1OC ZINC000827417571 603353786 /nfs/dbraw/zinc/35/37/86/603353786.db2.gz AFEGLZBFWDYQBT-UHFFFAOYSA-N -1 0 344.367 3.745 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)N2CCCCC[C@@H]2c2ccccc2)o1 ZINC000832684913 603362651 /nfs/dbraw/zinc/36/26/51/603362651.db2.gz XCAMRWDGIWLGEH-MRXNPFEDSA-N -1 0 342.395 3.805 20 0 EHADRM O=C([O-])N1CCC[C@H]1CC(=O)N1CCCCC[C@H]1c1ccccc1 ZINC000832006693 603362746 /nfs/dbraw/zinc/36/27/46/603362746.db2.gz ULZUMPYKLBIYJN-IRXDYDNUSA-N -1 0 330.428 3.663 20 0 EHADRM O=C([O-])N1CCC[C@@H]1CC(=O)N1CCCCC[C@H]1c1ccccc1 ZINC000832006695 603362827 /nfs/dbraw/zinc/36/28/27/603362827.db2.gz ULZUMPYKLBIYJN-SJORKVTESA-N -1 0 330.428 3.663 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)NCCSC(C)(C)C)cc1 ZINC000825434746 603364863 /nfs/dbraw/zinc/36/48/63/603364863.db2.gz XMRXBUDIVRKAAK-NSHDSACASA-N -1 0 339.461 3.668 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N(C)CCc2cccs2)cc1 ZINC000825423716 603367459 /nfs/dbraw/zinc/36/74/59/603367459.db2.gz TUEVLUNEHIUFLM-GFCCVEGCSA-N -1 0 347.440 3.783 20 0 EHADRM CCc1nc(NC(=O)[C@H](C)[C@H](NC(=O)[O-])c2ccccc2)sc1C ZINC000827635869 603369645 /nfs/dbraw/zinc/36/96/45/603369645.db2.gz GVYORFVMOOQXDK-YGRLFVJLSA-N -1 0 347.440 3.597 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N[C@@H](C)c2cccs2)cc1 ZINC000825427643 603378727 /nfs/dbraw/zinc/37/87/27/603378727.db2.gz XUNSBXRYKPABIM-MNOVXSKESA-N -1 0 333.413 3.959 20 0 EHADRM COc1ccc(NC(=O)C2(c3cccc(F)c3)CC2)cc1NC(=O)[O-] ZINC000739917237 603380649 /nfs/dbraw/zinc/38/06/49/603380649.db2.gz UBINYGXRCWCGQH-UHFFFAOYSA-N -1 0 344.342 3.595 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)NC/C=C/c2ccccc2)cc1 ZINC000825433541 603380902 /nfs/dbraw/zinc/38/09/02/603380902.db2.gz FMTYEXQQSYKGNU-GPAKFWEMSA-N -1 0 339.395 3.850 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)NCCCc2ccccc2)cc1 ZINC000825434219 603384485 /nfs/dbraw/zinc/38/44/85/603384485.db2.gz OLXMGARFJYRBLO-AWEZNQCLSA-N -1 0 341.411 3.770 20 0 EHADRM CC(C)c1csc(NC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c2ccccc2)n1 ZINC000824482363 603389842 /nfs/dbraw/zinc/38/98/42/603389842.db2.gz LCVJFVSSFXDRRT-SMDDNHRTSA-N -1 0 347.440 3.850 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)[C@@H](C)c2cccc(F)c2)c1 ZINC000739923340 603397644 /nfs/dbraw/zinc/39/76/44/603397644.db2.gz YCORTADOSXHEDI-JTQLQIEISA-N -1 0 332.331 3.666 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)C[C@H]2CCc3ccccc32)c1 ZINC000740707007 603397863 /nfs/dbraw/zinc/39/78/63/603397863.db2.gz LBUOBOCMNAINMH-GFCCVEGCSA-N -1 0 328.343 3.974 20 0 EHADRM Cc1ccc(C(=O)N[C@@H]2CCc3c2cccc3F)cc1NC(=O)[O-] ZINC000830211568 603400096 /nfs/dbraw/zinc/40/00/96/603400096.db2.gz UCKNYTDTCBKLNJ-OAHLLOKOSA-N -1 0 328.343 3.641 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)c3cnc4ccsc4c3)ccc21 ZINC000740471660 603410402 /nfs/dbraw/zinc/41/04/02/603410402.db2.gz YTWDZSJIOMUKSC-UHFFFAOYSA-N -1 0 339.376 3.589 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)[C@@H]2CCSc3ccccc32)cc1 ZINC000738663574 603412314 /nfs/dbraw/zinc/41/23/14/603412314.db2.gz KAESWKLFZFJYPH-CQSZACIVSA-N -1 0 328.393 3.995 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)[C@H]2CCSc3ccccc32)cc1 ZINC000738663573 603412341 /nfs/dbraw/zinc/41/23/41/603412341.db2.gz KAESWKLFZFJYPH-AWEZNQCLSA-N -1 0 328.393 3.995 20 0 EHADRM CCC[C@H](C)C(=O)N(c1ccccc1F)C1CCN(C(=O)[O-])CC1 ZINC000739299533 603433102 /nfs/dbraw/zinc/43/31/02/603433102.db2.gz HXOKDGVPWAOTLT-ZDUSSCGKSA-N -1 0 336.407 3.737 20 0 EHADRM Cc1ccc(F)cc1NC(=O)N1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000830332916 603451010 /nfs/dbraw/zinc/45/10/10/603451010.db2.gz HMHBNXQHOIGQLS-UHFFFAOYSA-N -1 0 349.406 3.520 20 0 EHADRM Cc1ccc(F)c(NC(=S)NCCc2ccc(NC(=O)[O-])cc2)c1 ZINC000738603323 603461381 /nfs/dbraw/zinc/46/13/81/603461381.db2.gz KJASTDRKJFETQG-UHFFFAOYSA-N -1 0 347.415 3.753 20 0 EHADRM Cc1cccc(NC(=S)NCCc2ccc(NC(=O)[O-])cc2)c1C ZINC000738736136 603461482 /nfs/dbraw/zinc/46/14/82/603461482.db2.gz LAESZWXHEQVJHJ-UHFFFAOYSA-N -1 0 343.452 3.922 20 0 EHADRM CCN(CC1CCN(Cc2ncc(-c3cccs3)o2)CC1)C(=O)[O-] ZINC000827100313 603513838 /nfs/dbraw/zinc/51/38/38/603513838.db2.gz XTALZYDUBNEWMU-UHFFFAOYSA-N -1 0 349.456 3.615 20 0 EHADRM Cc1ccc(C(=O)NC[C@H](c2cccnc2)C(C)C)cc1NC(=O)[O-] ZINC000830210494 603525511 /nfs/dbraw/zinc/52/55/11/603525511.db2.gz AGONDKSZHGGJEK-INIZCTEOSA-N -1 0 341.411 3.650 20 0 EHADRM CN(C(=O)Nc1ccccc1-c1cccs1)[C@H]1CCN(C(=O)[O-])C1 ZINC000827816422 603584537 /nfs/dbraw/zinc/58/45/37/603584537.db2.gz UNVHBZRRUCDHTN-LBPRGKRZSA-N -1 0 345.424 3.631 20 0 EHADRM O=C(C[C@H]1CCCN1C(=O)[O-])Nc1cccc(NC2CCCC2)c1 ZINC000831339946 603585570 /nfs/dbraw/zinc/58/55/70/603585570.db2.gz NMWUOUNMSSOSMU-MRXNPFEDSA-N -1 0 331.416 3.512 20 0 EHADRM CC[C@H]1C[C@@H](C)CN1C(=O)Nc1ccccc1CN(CC)C(=O)[O-] ZINC000826661583 603601576 /nfs/dbraw/zinc/60/15/76/603601576.db2.gz SEJNUMOJRCTTKX-HIFRSBDPSA-N -1 0 333.432 3.839 20 0 EHADRM Cc1c(F)cccc1NC(=O)N1CCC([C@@H]2CCCN2C(=O)[O-])CC1 ZINC000829871538 603609609 /nfs/dbraw/zinc/60/96/09/603609609.db2.gz CGNXNYSICYHBMR-INIZCTEOSA-N -1 0 349.406 3.520 20 0 EHADRM CCc1nc(C)c(-c2nc(-c3cccc(NC(=O)[O-])c3)no2)s1 ZINC000827625362 603639587 /nfs/dbraw/zinc/63/95/87/603639587.db2.gz DLKDKZGJLRALBB-UHFFFAOYSA-N -1 0 330.369 3.821 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)N(C)C2CCC(NC(=O)[O-])CC2)cc1C ZINC000830250748 603640212 /nfs/dbraw/zinc/64/02/12/603640212.db2.gz JQZXKYJTPCBYSR-ODIFPOPNSA-N -1 0 347.459 3.585 20 0 EHADRM CCN(CC1CCN(C(=O)C(C)(C)c2ccccc2C)CC1)C(=O)[O-] ZINC000827055433 603745124 /nfs/dbraw/zinc/74/51/24/603745124.db2.gz PKSQOOCQKAMPBY-UHFFFAOYSA-N -1 0 346.471 3.511 20 0 EHADRM CCCCc1ccc(N(C)C(=O)c2ccc(CNC(=O)[O-])o2)cc1 ZINC000826848459 603746889 /nfs/dbraw/zinc/74/68/89/603746889.db2.gz YTTZOYPBNDVHCR-UHFFFAOYSA-N -1 0 330.384 3.666 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(C2(c3ccc(F)cc3)CC2)n1 ZINC000824216981 603767020 /nfs/dbraw/zinc/76/70/20/603767020.db2.gz BBRVVPUWRBKEES-ZDUSSCGKSA-N -1 0 333.363 3.643 20 0 EHADRM COc1ccccc1C1(c2nc([C@H](CC(C)C)NC(=O)[O-])no2)CC1 ZINC000829619575 603770068 /nfs/dbraw/zinc/77/00/68/603770068.db2.gz TVWXWYMJSRLHRB-ZDUSSCGKSA-N -1 0 345.399 3.513 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)N[C@H](C2CCCC2)C(F)(F)F)cc1 ZINC000832840504 603770268 /nfs/dbraw/zinc/77/02/68/603770268.db2.gz ITDUBKNONPZVDB-CQSZACIVSA-N -1 0 344.333 3.556 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@H]1C(=O)Nc1ccccc1CCC(F)(F)F ZINC000832338311 603805959 /nfs/dbraw/zinc/80/59/59/603805959.db2.gz GVKUCKQQACUWAR-YPMHNXCESA-N -1 0 344.333 3.556 20 0 EHADRM CC[C@@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccccc1 ZINC000826582456 603815869 /nfs/dbraw/zinc/81/58/69/603815869.db2.gz ZKVLDMOZOHAZQL-WRXVUKFLSA-N -1 0 344.455 3.608 20 0 EHADRM Cc1cc(F)c(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)cc1F ZINC000830055480 603846801 /nfs/dbraw/zinc/84/68/01/603846801.db2.gz SOYNOFNCQJQMHK-JTQLQIEISA-N -1 0 334.322 3.854 20 0 EHADRM CC(=O)Nc1cc(NCc2cccc3c2N(C(=O)[O-])CC3)ccc1C ZINC000823591576 603851973 /nfs/dbraw/zinc/85/19/73/603851973.db2.gz ISJUCWVUMNPERO-UHFFFAOYSA-N -1 0 339.395 3.606 20 0 EHADRM CC(C)(C)c1csc(CNCc2cccc3c2N(C(=O)[O-])CC3)n1 ZINC000823864284 603859229 /nfs/dbraw/zinc/85/92/29/603859229.db2.gz LDCNRCNPLKXFOE-UHFFFAOYSA-N -1 0 345.468 3.771 20 0 EHADRM Cc1noc(C(F)F)c1C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000830904712 603867787 /nfs/dbraw/zinc/86/77/87/603867787.db2.gz YODAVKLMTIUMLQ-SSDOTTSWSA-N -1 0 339.298 3.502 20 0 EHADRM CN(Cc1nccs1)C(=O)c1cc2ccccc2cc1NC(=O)[O-] ZINC000828426990 603887866 /nfs/dbraw/zinc/88/78/66/603887866.db2.gz TUVMYOTWPGHHAX-UHFFFAOYSA-N -1 0 341.392 3.658 20 0 EHADRM CCc1ccc(O)c(NC(=O)CC[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000827589402 603895092 /nfs/dbraw/zinc/89/50/92/603895092.db2.gz KDXOXGZWWRPFRE-HNNXBMFYSA-N -1 0 342.395 3.682 20 0 EHADRM CCC[C@@H](NC(=O)[O-])C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000826759041 603896402 /nfs/dbraw/zinc/89/64/02/603896402.db2.gz VTBPOJDNGCXGST-GFCCVEGCSA-N -1 0 332.322 3.556 20 0 EHADRM O=C([O-])N[C@H]1CC[C@@H](C(=O)N(Cc2ccccc2)c2ccccc2)C1 ZINC000832240339 603954126 /nfs/dbraw/zinc/95/41/26/603954126.db2.gz VRGCAFQXPPUHMK-SJORKVTESA-N -1 0 338.407 3.656 20 0 EHADRM Cc1cccc2c(CC(=O)Nc3cccc4c3CCN4C(=O)[O-])c[nH]c21 ZINC000830533179 603959702 /nfs/dbraw/zinc/95/97/02/603959702.db2.gz SJXZDBHDIKECTM-UHFFFAOYSA-N -1 0 349.390 3.698 20 0 EHADRM CCN(C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)c1cccc2ccccc21 ZINC000826970112 603961448 /nfs/dbraw/zinc/96/14/48/603961448.db2.gz NPAJHKOYLMXDSF-HUUCEWRRSA-N -1 0 326.396 3.629 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)Nc1c(F)cccc1F ZINC000831792834 603967978 /nfs/dbraw/zinc/96/79/78/603967978.db2.gz BOPVCUQKADRZKE-UHFFFAOYSA-N -1 0 333.294 3.649 20 0 EHADRM C[C@@H]1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])[C@H]2CCCC[C@H]12 ZINC000825938732 603976758 /nfs/dbraw/zinc/97/67/58/603976758.db2.gz PHXYJHMXNPOPEQ-XHLLLEBJSA-N -1 0 348.487 3.725 20 0 EHADRM CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000824346782 603979503 /nfs/dbraw/zinc/97/95/03/603979503.db2.gz OCEQHVXFKVVUOA-ZFWWWQNUSA-N -1 0 338.835 3.513 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)Nc2cccc(Nc3ccccc3)c2)C1 ZINC000832287134 603981134 /nfs/dbraw/zinc/98/11/34/603981134.db2.gz MMAUBLCQYNATET-SUMWQHHRSA-N -1 0 339.395 3.805 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000824404728 603983963 /nfs/dbraw/zinc/98/39/63/603983963.db2.gz MADWDNNJONBIDL-MNOVXSKESA-N -1 0 340.807 3.502 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc2c1CCN2C(=O)[O-])c1ccccc1 ZINC000825170494 603988840 /nfs/dbraw/zinc/98/88/40/603988840.db2.gz AYEUEFZPRFRGAJ-GFCCVEGCSA-N -1 0 325.368 3.610 20 0 EHADRM Cc1ccc(-c2cnc(CN3CCCC[C@H]3[C@H](C)NC(=O)[O-])o2)cc1 ZINC000830149564 604048522 /nfs/dbraw/zinc/04/85/22/604048522.db2.gz RPCFUPJYKGAYKE-HOCLYGCPSA-N -1 0 343.427 3.661 20 0 EHADRM CC(C)(C)c1cnc(CNc2cccc3c2CCN(C(=O)[O-])C3)o1 ZINC000823858738 604050086 /nfs/dbraw/zinc/05/00/86/604050086.db2.gz BAVNOEGTWAIQHX-UHFFFAOYSA-N -1 0 329.400 3.620 20 0 EHADRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)Nc2ccc3ccccc3c2)C1 ZINC000825235754 604061014 /nfs/dbraw/zinc/06/10/14/604061014.db2.gz HSCRSOHRZDZKGS-CJNGLKHVSA-N -1 0 341.411 3.740 20 0 EHADRM CC(=O)Nc1cccc(CN2CCCN(C(=O)[O-])c3ccccc32)c1 ZINC000823618369 604093241 /nfs/dbraw/zinc/09/32/41/604093241.db2.gz WDSYELWHRAYGSO-UHFFFAOYSA-N -1 0 339.395 3.540 20 0 EHADRM CC(C)c1cccc(NC(=O)N(C)C2CCC(NC(=O)[O-])CC2)c1 ZINC000824470635 604121570 /nfs/dbraw/zinc/12/15/70/604121570.db2.gz RQWJLMDVIWJFFS-UHFFFAOYSA-N -1 0 333.432 3.853 20 0 EHADRM CCS[C@H]1CCC[C@@H]1NC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000827503369 604125825 /nfs/dbraw/zinc/12/58/25/604125825.db2.gz IOQYFYRXFICDBA-ZFWWWQNUSA-N -1 0 349.456 3.523 20 0 EHADRM CN(Cc1ccccc1NC(=O)N1CCC[C@H]2CCC[C@H]21)C(=O)[O-] ZINC000828400101 604137604 /nfs/dbraw/zinc/13/76/04/604137604.db2.gz PYDJLXFLZGLXDL-CZUORRHYSA-N -1 0 331.416 3.593 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)CC1(NC(=O)[O-])CCC1 ZINC000824405229 604179268 /nfs/dbraw/zinc/17/92/68/604179268.db2.gz WDUHOXXUZCEYQR-UHFFFAOYSA-N -1 0 340.807 3.646 20 0 EHADRM CCSc1ccccc1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000737230301 604248379 /nfs/dbraw/zinc/24/83/79/604248379.db2.gz UAAWLLUFYUXPFY-UHFFFAOYSA-N -1 0 344.436 3.861 20 0 EHADRM CS[C@H](C(=O)NCCc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000738179951 604254674 /nfs/dbraw/zinc/25/46/74/604254674.db2.gz PASZUHYGJOBLCB-INIZCTEOSA-N -1 0 344.436 3.540 20 0 EHADRM Cc1nc2ccc(NC(=O)c3c(C)[nH]c(C(=O)[O-])c3C)cc2s1 ZINC000833005830 604265473 /nfs/dbraw/zinc/26/54/73/604265473.db2.gz HFZBEACGUSFQLB-UHFFFAOYSA-N -1 0 329.381 3.500 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000827581226 604280887 /nfs/dbraw/zinc/28/08/87/604280887.db2.gz JXENXMPDHPKIOM-LLVKDONJSA-N -1 0 349.789 3.881 20 0 EHADRM COc1ccc(CNc2nc(Cl)c(C(=O)[O-])s2)cc1Cl ZINC000718904268 604282125 /nfs/dbraw/zinc/28/21/25/604282125.db2.gz BMBAGDPXKMDKCX-UHFFFAOYSA-N -1 0 333.196 3.769 20 0 EHADRM CCOc1ccc(NC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)cc1Cl ZINC000830084727 604286107 /nfs/dbraw/zinc/28/61/07/604286107.db2.gz KYBPWDPUQFLZBV-UHFFFAOYSA-N -1 0 336.775 3.634 20 0 EHADRM CCN(Cc1cccs1)C(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000827192680 604289347 /nfs/dbraw/zinc/28/93/47/604289347.db2.gz BGTGCFUOPFOJMA-ZIAGYGMSSA-N -1 0 338.473 3.513 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1nc2c(s1)CCCCCC2 ZINC000738169181 604291042 /nfs/dbraw/zinc/29/10/42/604291042.db2.gz UJRBQMOVFDXZJC-UHFFFAOYSA-N -1 0 347.440 3.698 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1cccc(N2CCCCC2)c1 ZINC000832847708 604292088 /nfs/dbraw/zinc/29/20/88/604292088.db2.gz ZBJGJEKPBGOHDK-UHFFFAOYSA-N -1 0 341.411 3.572 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)c1 ZINC000392608789 604292284 /nfs/dbraw/zinc/29/22/84/604292284.db2.gz UQHHKLKRHULZEC-JTQLQIEISA-N -1 0 330.384 3.759 20 0 EHADRM COc1cccc(N(CC(C)C)C(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000832558364 604297711 /nfs/dbraw/zinc/29/77/11/604297711.db2.gz LHFVFNCDIJPEEW-UHFFFAOYSA-N -1 0 345.370 3.835 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2cccn2Cc2ccccc2)c1 ZINC000683330067 604313793 /nfs/dbraw/zinc/31/37/93/604313793.db2.gz IRCHQXUKMUJRGS-UHFFFAOYSA-N -1 0 326.377 3.548 20 0 EHADRM CCC1(CC)[C@H](NC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)C[C@@H]1OC ZINC000829050286 604327029 /nfs/dbraw/zinc/32/70/29/604327029.db2.gz OJPMREDONRETHE-CABCVRRESA-N -1 0 349.431 3.516 20 0 EHADRM O=C([O-])c1ccc(CN[C@@H]2CC3(CCCC3)Oc3ccccc32)o1 ZINC000833314455 604333252 /nfs/dbraw/zinc/33/32/52/604333252.db2.gz KSFIMZFQNVCNKB-OAHLLOKOSA-N -1 0 327.380 3.904 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000832958521 604344353 /nfs/dbraw/zinc/34/43/53/604344353.db2.gz JEUPYGLARKRLHL-UHFFFAOYSA-N -1 0 343.408 3.511 20 0 EHADRM C[C@H](CC(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824566242 604355766 /nfs/dbraw/zinc/35/57/66/604355766.db2.gz XTSLZBWNRIQKFG-NRKLIOEPSA-N -1 0 336.476 3.582 20 0 EHADRM C[C@@H](CC(=O)NC(C)(C)c1cccs1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824605886 604357783 /nfs/dbraw/zinc/35/77/83/604357783.db2.gz LOICWWNRKZYOMA-QWHCGFSZSA-N -1 0 338.473 3.516 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)/C=C\c1ccsc1)c1ccccc1 ZINC000826091104 604372736 /nfs/dbraw/zinc/37/27/36/604372736.db2.gz ZWFSLFJXQBYEFK-HLRDLLSLSA-N -1 0 329.421 3.730 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)/C=C\c1cccs1)c1ccccc1 ZINC000826089055 604379650 /nfs/dbraw/zinc/37/96/50/604379650.db2.gz HGMQVFRVWCZSSN-SNGWPZLWSA-N -1 0 329.421 3.730 20 0 EHADRM CC(=O)c1csc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c1 ZINC000825966562 604380896 /nfs/dbraw/zinc/38/08/96/604380896.db2.gz HBUVOCMKNJWLDH-HNNXBMFYSA-N -1 0 345.420 3.533 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1cc2c(s1)CCC2)c1ccccc1 ZINC000826102895 604382710 /nfs/dbraw/zinc/38/27/10/604382710.db2.gz LBQMMLCTABPDIP-MRXNPFEDSA-N -1 0 343.448 3.819 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(F)cc2C(F)(F)F)cc1F ZINC000833156477 604390422 /nfs/dbraw/zinc/39/04/22/604390422.db2.gz IZHZIOGOGVZRFP-UHFFFAOYSA-N -1 0 345.223 3.934 20 0 EHADRM Cc1cc(Cl)ncc1NC(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832887001 604407800 /nfs/dbraw/zinc/40/78/00/604407800.db2.gz QGVCRFHQCORFPJ-ABAIWWIYSA-N -1 0 347.802 3.627 20 0 EHADRM CCCOc1cc(F)ccc1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000826935699 604410064 /nfs/dbraw/zinc/41/00/64/604410064.db2.gz SEGQKYVOYMZBQP-UHFFFAOYSA-N -1 0 332.331 3.957 20 0 EHADRM C[C@H](NC(=O)[O-])C(=O)Nc1cc(Cl)ccc1NCc1ccccc1 ZINC000825186646 604417271 /nfs/dbraw/zinc/41/72/71/604417271.db2.gz RZYLULPAEDTTBA-NSHDSACASA-N -1 0 347.802 3.547 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)Cc1ccccc1C ZINC000829028544 604428578 /nfs/dbraw/zinc/42/85/78/604428578.db2.gz WCKKTMSHZUGQGM-GOSISDBHSA-N -1 0 325.408 3.602 20 0 EHADRM CN(CCCC(=O)N1CCc2cc(-c3ccccc3)ccc21)C(=O)[O-] ZINC000830759182 604428990 /nfs/dbraw/zinc/42/89/90/604428990.db2.gz DGFUUNOTKZFALT-UHFFFAOYSA-N -1 0 338.407 3.633 20 0 EHADRM CCCOc1cccc(CC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)c1 ZINC000829537810 604435405 /nfs/dbraw/zinc/43/54/05/604435405.db2.gz JJTHANQKSMMLIF-UHFFFAOYSA-N -1 0 342.395 3.771 20 0 EHADRM CCCOc1cccc(CC(=O)OCc2ccc(C(=O)[O-])s2)c1 ZINC000829541589 604445605 /nfs/dbraw/zinc/44/56/05/604445605.db2.gz POYDMXYYDRQUKA-UHFFFAOYSA-N -1 0 334.393 3.521 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)c2ccccc2Cl)cc1 ZINC000825397243 604451588 /nfs/dbraw/zinc/45/15/88/604451588.db2.gz IHFCJZICTPHFRL-NSHDSACASA-N -1 0 332.787 3.599 20 0 EHADRM CC(C)(CCC(=O)NC[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000262756414 604462723 /nfs/dbraw/zinc/46/27/23/604462723.db2.gz JPZSPZCDVRVBTA-SFHVURJKSA-N -1 0 339.435 3.729 20 0 EHADRM CC(C)(C)SCCCC(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000833447075 604469489 /nfs/dbraw/zinc/46/94/89/604469489.db2.gz NHMVYYTXPGDNEN-UHFFFAOYSA-N -1 0 328.405 3.879 20 0 EHADRM CC(C)(C)O[C@@H](C(=O)OCc1occc1C(=O)[O-])c1ccccc1 ZINC000833445971 604470809 /nfs/dbraw/zinc/47/08/09/604470809.db2.gz KRWZWXHCSNSPAG-OAHLLOKOSA-N -1 0 332.352 3.577 20 0 EHADRM C[C@@H]1CSc2ccccc2N(C(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC000833631898 604485738 /nfs/dbraw/zinc/48/57/38/604485738.db2.gz HGGJTAHXHIMVST-NSHDSACASA-N -1 0 345.395 3.913 20 0 EHADRM COc1ccc([C@@H](C)CCNC(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000832221312 604485952 /nfs/dbraw/zinc/48/59/52/604485952.db2.gz YVDPDIDVFCUNAZ-NSHDSACASA-N -1 0 348.424 3.770 20 0 EHADRM C[C@H](OC(=O)Cc1ccccc1C(=O)[O-])c1ncc(C(C)(C)C)o1 ZINC000833529257 604492285 /nfs/dbraw/zinc/49/22/85/604492285.db2.gz BTNIASLNCLBZQJ-NSHDSACASA-N -1 0 331.368 3.517 20 0 EHADRM CC(C)(C)n1nc(C(=O)OC2CCC(CC(=O)[O-])CC2)cc1C1CC1 ZINC000833452044 604497724 /nfs/dbraw/zinc/49/77/24/604497724.db2.gz KVUQYVGNGOMXBX-UHFFFAOYSA-N -1 0 348.443 3.706 20 0 EHADRM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000828183144 604502530 /nfs/dbraw/zinc/50/25/30/604502530.db2.gz DNCWMWNZRPTPSI-ZYHUDNBSSA-N -1 0 348.399 3.995 20 0 EHADRM COc1ccc(CN(C(=O)Nc2cc(C(=O)[O-])cs2)C2CC2)cc1 ZINC000832304469 604507759 /nfs/dbraw/zinc/50/77/59/604507759.db2.gz PNIOPJINTRZJHP-UHFFFAOYSA-N -1 0 346.408 3.651 20 0 EHADRM COc1ccc2c(c1)CCC[C@@H]2NC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000832493445 604507777 /nfs/dbraw/zinc/50/77/77/604507777.db2.gz CXWVZEZJUPHUSC-AWEZNQCLSA-N -1 0 346.408 3.654 20 0 EHADRM COc1ccc([C@H](NC(=O)Nc2cc(C(=O)[O-])cs2)C(C)C)cc1 ZINC000832245317 604511731 /nfs/dbraw/zinc/51/17/31/604511731.db2.gz JURJWQBCAQHIJE-OAHLLOKOSA-N -1 0 348.424 3.974 20 0 EHADRM COc1ccccc1C(C)(C)CNC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000832589393 604516649 /nfs/dbraw/zinc/51/66/49/604516649.db2.gz NIMIOEUHNCQXJL-UHFFFAOYSA-N -1 0 348.424 3.554 20 0 EHADRM CSc1ccc(F)cc1CNC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000832781067 604521807 /nfs/dbraw/zinc/52/18/07/604521807.db2.gz PNJBKHSPIATJDD-UHFFFAOYSA-N -1 0 340.401 3.629 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)N(C1CC1)C1CCCC1)c1ccccc1 ZINC000826089735 604526111 /nfs/dbraw/zinc/52/61/11/604526111.db2.gz NRYWLELXJXOELM-QGZVFWFLSA-N -1 0 344.455 3.955 20 0 EHADRM CN(CC(=O)[O-])Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000833691848 604541078 /nfs/dbraw/zinc/54/10/78/604541078.db2.gz MRHMZXYMYHYCJU-UHFFFAOYSA-N -1 0 331.224 3.633 20 0 EHADRM Cc1cncc(/C=C\C(=O)Nc2cc3ccccc3cc2C(=O)[O-])c1 ZINC000832986794 604542671 /nfs/dbraw/zinc/54/26/71/604542671.db2.gz PGQUIKLUUYJATB-SREVYHEPSA-N -1 0 332.359 3.893 20 0 EHADRM COc1ccc(CCC(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC000832292369 604544195 /nfs/dbraw/zinc/54/41/95/604544195.db2.gz BIDBSVQDURAXED-GFCCVEGCSA-N -1 0 332.352 3.532 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)COc2c(C)cccc2C)oc1C(=O)[O-] ZINC000832872763 604548331 /nfs/dbraw/zinc/54/83/31/604548331.db2.gz VTQFLMHYWVZFOA-CYBMUJFWSA-N -1 0 332.352 3.586 20 0 EHADRM CC[C@@H](C(=O)N1CCC[C@@H]1CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000262842216 604559983 /nfs/dbraw/zinc/55/99/83/604559983.db2.gz CIOCHFFIOYZKGA-ZIAGYGMSSA-N -1 0 343.345 3.665 20 0 EHADRM CC(C)Sc1ccccc1NC(=O)c1ccc(CNC(=O)[O-])o1 ZINC000824435783 604564198 /nfs/dbraw/zinc/56/41/98/604564198.db2.gz YVWMPXBESAIXHS-UHFFFAOYSA-N -1 0 334.397 3.800 20 0 EHADRM C/C(=C/C(=O)N1CCC[C@H]1CC(=O)[O-])c1ccccc1C(F)(F)F ZINC000825716289 604564797 /nfs/dbraw/zinc/56/47/97/604564797.db2.gz BOPYJUFASXOJBJ-MMRAYRKESA-N -1 0 341.329 3.574 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000262933144 604583614 /nfs/dbraw/zinc/58/36/14/604583614.db2.gz LKENJZVTLWTKTM-MELADBBJSA-N -1 0 342.222 3.563 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)/C=C/SCc1ccco1 ZINC000833092342 604600994 /nfs/dbraw/zinc/60/09/94/604600994.db2.gz CYWFDZMBWPYSQR-FNORWQNLSA-N -1 0 336.340 3.607 20 0 EHADRM CCCCn1ncc(C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)c1C ZINC000829446548 604608148 /nfs/dbraw/zinc/60/81/48/604608148.db2.gz BTORGWPRHNUKIT-GFCCVEGCSA-N -1 0 334.372 3.509 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000830249544 604614001 /nfs/dbraw/zinc/61/40/01/604614001.db2.gz ISOZAPPNFDEVGG-LBPRGKRZSA-N -1 0 338.835 3.936 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)Nc1ccccc1Cc1ccccc1 ZINC000326774135 604614127 /nfs/dbraw/zinc/61/41/27/604614127.db2.gz LQORGVGUDUILJN-KRWDZBQOSA-N -1 0 338.407 3.748 20 0 EHADRM CCC(CC)N(C(=O)NCc1ccc([C@H](C)NC(=O)[O-])cc1)C1CC1 ZINC000826571137 604620630 /nfs/dbraw/zinc/62/06/30/604620630.db2.gz BNCGUMZBESWRKY-ZDUSSCGKSA-N -1 0 347.459 3.878 20 0 EHADRM O=C([O-])CCN(Cc1ccc(F)c(F)c1)c1nc2ccccc2o1 ZINC000833233109 604627696 /nfs/dbraw/zinc/62/76/96/604627696.db2.gz AQJBYBMTCXWTDO-UHFFFAOYSA-N -1 0 332.306 3.587 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000828874361 604629331 /nfs/dbraw/zinc/62/93/31/604629331.db2.gz FWDPKPZNOONMMN-UHFFFAOYSA-N -1 0 347.440 3.745 20 0 EHADRM Cc1nc(N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)sc1C ZINC000580080678 604636873 /nfs/dbraw/zinc/63/68/73/604636873.db2.gz MQQBZAAGXOTGRV-UHFFFAOYSA-N -1 0 331.441 3.539 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000833213315 604636885 /nfs/dbraw/zinc/63/68/85/604636885.db2.gz GMXFULMQNUABKF-ZDUSSCGKSA-N -1 0 344.333 3.653 20 0 EHADRM CC1(C)CO[C@H](c2ccccc2Cl)CN1Cc1c[nH]c(C(=O)[O-])c1 ZINC000833561102 604642296 /nfs/dbraw/zinc/64/22/96/604642296.db2.gz NXXJWQJTOKQOEJ-INIZCTEOSA-N -1 0 348.830 3.718 20 0 EHADRM Cc1cc([C@@H](C)Sc2nnc(-c3ccccc3)n2C)oc1C(=O)[O-] ZINC000832873212 604691810 /nfs/dbraw/zinc/69/18/10/604691810.db2.gz HLIXCRMSLHUBOO-LLVKDONJSA-N -1 0 343.408 3.935 20 0 EHADRM C[C@@H](Nc1cccc(C(=O)[O-])n1)c1nc2ccccc2n1C(F)F ZINC000833524875 604709863 /nfs/dbraw/zinc/70/98/63/604709863.db2.gz KETSCZMDPZVWAG-SECBINFHSA-N -1 0 332.310 3.698 20 0 EHADRM Cc1cc([C@@H](C)Sc2nnc(C3CC3)n2C2CC2)oc1C(=O)[O-] ZINC000832876335 604710873 /nfs/dbraw/zinc/71/08/73/604710873.db2.gz XJLYBZIKAPTBKL-SECBINFHSA-N -1 0 333.413 3.943 20 0 EHADRM CN(C(=O)c1cc(C2CC2)nc2ccccc21)C1(C(=O)[O-])CCCC1 ZINC000830523578 604713614 /nfs/dbraw/zinc/71/36/14/604713614.db2.gz NFPWDMIJOXITAL-UHFFFAOYSA-N -1 0 338.407 3.582 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccsc2C(=O)[O-])Cc2ccccc21 ZINC000833560778 604715111 /nfs/dbraw/zinc/71/51/11/604715111.db2.gz VIEACQDJSNAXIQ-UHFFFAOYSA-N -1 0 330.409 3.772 20 0 EHADRM CN(C(=O)C1CCC(c2ccccc2)CC1)C1(C(=O)[O-])CCCC1 ZINC000830458808 604715879 /nfs/dbraw/zinc/71/58/79/604715879.db2.gz ZMUHBWZUNJMCPF-UHFFFAOYSA-N -1 0 329.440 3.816 20 0 EHADRM CC(C)(CNC(=O)Cc1cccc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC000539675217 604724287 /nfs/dbraw/zinc/72/42/87/604724287.db2.gz BPEMGZFIZDQBNH-UHFFFAOYSA-N -1 0 345.826 3.675 20 0 EHADRM CCCOc1cccc(CC(=O)Oc2ccc(NC(=O)[O-])cc2)c1 ZINC000829541302 604734544 /nfs/dbraw/zinc/73/45/44/604734544.db2.gz LEVFZTHYTHRMTD-UHFFFAOYSA-N -1 0 329.352 3.713 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000832977379 604734764 /nfs/dbraw/zinc/73/47/64/604734764.db2.gz RQWGNRNXPCRESX-LBPRGKRZSA-N -1 0 332.425 3.601 20 0 EHADRM O=C([O-])CCc1csc(NC(=O)c2ccc(-c3ccco3)s2)n1 ZINC000833240201 604741518 /nfs/dbraw/zinc/74/15/18/604741518.db2.gz FIWRSURDGBURBK-UHFFFAOYSA-N -1 0 348.405 3.734 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000262817302 604742672 /nfs/dbraw/zinc/74/26/72/604742672.db2.gz PQWZLXIXBBLLNK-CHWSQXEVSA-N -1 0 341.382 3.601 20 0 EHADRM C[C@@H](SCc1ccc(C(=O)[O-])cc1F)C(=O)Nc1ccccc1 ZINC000833542132 604756959 /nfs/dbraw/zinc/75/69/59/604756959.db2.gz GHKVGIURWQFQGO-LLVKDONJSA-N -1 0 333.384 3.784 20 0 EHADRM O=C([O-])c1cccc(Oc2nc(-c3cccnc3)nc3c2CCC3)c1 ZINC000833333266 604773527 /nfs/dbraw/zinc/77/35/27/604773527.db2.gz LLNXTVKUORFXDN-UHFFFAOYSA-N -1 0 333.347 3.518 20 0 EHADRM CC1(C)CN(C(=O)NCCCCCCC(=O)[O-])Cc2ccccc21 ZINC000833559703 604775588 /nfs/dbraw/zinc/77/55/88/604775588.db2.gz DVIYTWQNVTXFCS-UHFFFAOYSA-N -1 0 332.444 3.525 20 0 EHADRM O=C([O-])c1cccc(NC2CCN(C(=O)C=C3CCCCC3)CC2)c1 ZINC000833330578 604782182 /nfs/dbraw/zinc/78/21/82/604782182.db2.gz VUBQQKLTGTVKTK-UHFFFAOYSA-N -1 0 342.439 3.678 20 0 EHADRM COc1cc2ccccc2cc1C(=O)Nc1cccc(C(=O)[O-])c1O ZINC000833729366 604799475 /nfs/dbraw/zinc/79/94/75/604799475.db2.gz BOUSBCHTIRCFOI-UHFFFAOYSA-N -1 0 337.331 3.505 20 0 EHADRM C[C@H](CSCc1ccccc1)C(=O)Oc1ccccc1C(=O)[O-] ZINC000827582160 604809837 /nfs/dbraw/zinc/80/98/37/604809837.db2.gz ZVIVGQNTZZMZFF-CYBMUJFWSA-N -1 0 330.405 3.860 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000833764148 604810525 /nfs/dbraw/zinc/81/05/25/604810525.db2.gz ZUFHQRKRVKXNIR-HXUWFJFHSA-N -1 0 349.386 3.816 20 0 EHADRM CCOc1ccc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1Cl ZINC000830084687 604812387 /nfs/dbraw/zinc/81/23/87/604812387.db2.gz JTQGYSUEEWIWGA-UHFFFAOYSA-N -1 0 337.734 3.828 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1cnc(C(C)C)s1 ZINC000831975258 604813418 /nfs/dbraw/zinc/81/34/18/604813418.db2.gz CUVGSVFFSSLJBC-FNORWQNLSA-N -1 0 347.392 3.592 20 0 EHADRM C[C@H](CSCc1ccccc1)C(=O)OCc1ccc(C(=O)[O-])o1 ZINC000827581269 604815586 /nfs/dbraw/zinc/81/55/86/604815586.db2.gz KPWRGCNWWAAJKS-GFCCVEGCSA-N -1 0 334.393 3.591 20 0 EHADRM C[C@H](CSCc1ccccc1)C(=O)Nc1ccsc1C(=O)[O-] ZINC000827580825 604816106 /nfs/dbraw/zinc/81/61/06/604816106.db2.gz HCKMKABIHTYUFT-LLVKDONJSA-N -1 0 335.450 3.954 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])c(F)c2)CC[C@H]1c1ccccc1 ZINC000828395461 604826556 /nfs/dbraw/zinc/82/65/56/604826556.db2.gz XQAGEQCCSDPKPV-CZUORRHYSA-N -1 0 341.382 3.790 20 0 EHADRM Cc1cc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)ccc1OC(C)C ZINC000832896109 604827098 /nfs/dbraw/zinc/82/70/98/604827098.db2.gz IHTBUFUNGPEJCY-UHFFFAOYSA-N -1 0 331.343 3.872 20 0 EHADRM Cc1cccc(-c2cncc(C(=O)NCc3cccc(C(=O)[O-])c3)c2)c1 ZINC000431650244 604830384 /nfs/dbraw/zinc/83/03/84/604830384.db2.gz CILZYJLONLJAQP-UHFFFAOYSA-N -1 0 346.386 3.685 20 0 EHADRM COc1cc(NC(=O)c2cccc(C(C)C)n2)ccc1NC(=O)[O-] ZINC000829198519 604835233 /nfs/dbraw/zinc/83/52/33/604835233.db2.gz ZSNOQMMNSYERKS-UHFFFAOYSA-N -1 0 329.356 3.556 20 0 EHADRM CCC(CC)n1ccc(COC(=O)c2cccc(NC(=O)[O-])c2)n1 ZINC000828870299 604864391 /nfs/dbraw/zinc/86/43/91/604864391.db2.gz MXXLIARIZIVRIB-UHFFFAOYSA-N -1 0 331.372 3.691 20 0 EHADRM CC(C)c1ccc([C@H]2CCCN2C(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC000833509700 604864437 /nfs/dbraw/zinc/86/44/37/604864437.db2.gz CBNKLUSMRKPXHE-GOSISDBHSA-N -1 0 338.407 3.881 20 0 EHADRM CC(C)c1ccc([C@@H]2CCCN2C(=O)CCCN(C)C(=O)[O-])cc1 ZINC000833510405 604864677 /nfs/dbraw/zinc/86/46/77/604864677.db2.gz VETLVASUCHQHRB-KRWDZBQOSA-N -1 0 332.444 3.864 20 0 EHADRM O=C([O-])C[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccccc1 ZINC000013223977 604865156 /nfs/dbraw/zinc/86/51/56/604865156.db2.gz QUXSBZYKJSBYHP-KXKDPZRNSA-N -1 0 329.783 3.685 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000013224093 604865987 /nfs/dbraw/zinc/86/59/87/604865987.db2.gz HFMMSDMMFYBSBY-AWEZNQCLSA-N -1 0 338.190 3.939 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCc1ccccc1Cl)c1ccccc1 ZINC000013224631 604880303 /nfs/dbraw/zinc/88/03/03/604880303.db2.gz XCNLSAPAJWUXLW-MRXNPFEDSA-N -1 0 331.799 3.605 20 0 EHADRM O=C([O-])c1ccc(C(=O)Oc2ccc(-c3cscn3)cc2)cc1F ZINC000833353759 604888194 /nfs/dbraw/zinc/88/81/94/604888194.db2.gz QAGZVUUOGAOTPG-UHFFFAOYSA-N -1 0 343.335 3.867 20 0 EHADRM C[C@]1(NC(=O)c2cccc(Cl)c2Cl)CCCC[C@@H]1C(=O)[O-] ZINC000262821089 604889955 /nfs/dbraw/zinc/88/99/55/604889955.db2.gz PNJYSMHYVYFRRG-BMIGLBTASA-N -1 0 330.211 3.757 20 0 EHADRM Cc1cc(F)ccc1C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000683314491 604890183 /nfs/dbraw/zinc/89/01/83/604890183.db2.gz JGVMACWAMMPUKS-UHFFFAOYSA-N -1 0 343.379 3.977 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)N2CCc3ccc(F)cc3C2)c1 ZINC000833290035 604893748 /nfs/dbraw/zinc/89/37/48/604893748.db2.gz VYVYPBIIHTZXEJ-UHFFFAOYSA-N -1 0 329.331 3.506 20 0 EHADRM CC(=O)c1ccc(Cl)c(NC(=O)Cc2ccc(NC(=O)[O-])cc2)c1 ZINC000823632650 604896924 /nfs/dbraw/zinc/89/69/24/604896924.db2.gz NRBDMGYDGXARMZ-UHFFFAOYSA-N -1 0 346.770 3.814 20 0 EHADRM Cc1nc(-c2cccs2)sc1C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000389987854 604907854 /nfs/dbraw/zinc/90/78/54/604907854.db2.gz DQHASPDDYPWRJX-UHFFFAOYSA-N -1 0 345.405 3.526 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000833330748 604916257 /nfs/dbraw/zinc/91/62/57/604916257.db2.gz ZVQLBBIYUOHITM-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM CC[C@@H](C)CN(CC)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000828747010 604921109 /nfs/dbraw/zinc/92/11/09/604921109.db2.gz KUKYHUZAHKKTHK-LLVKDONJSA-N -1 0 342.823 3.703 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1F ZINC000833166201 604922080 /nfs/dbraw/zinc/92/20/80/604922080.db2.gz SVXHCFHAUDZYCB-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)c1ccccc1 ZINC000833643617 604924341 /nfs/dbraw/zinc/92/43/41/604924341.db2.gz ZFPCPUXHUZSPSC-AWEZNQCLSA-N -1 0 338.367 3.534 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000832968258 604944604 /nfs/dbraw/zinc/94/46/04/604944604.db2.gz ONWYHYARRSKJBC-KRWDZBQOSA-N -1 0 327.355 3.810 20 0 EHADRM CCC[C@@H](C)[C@H]1CCCN1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000829209891 604946291 /nfs/dbraw/zinc/94/62/91/604946291.db2.gz YDDSTBSCZLLAJF-CZUORRHYSA-N -1 0 334.416 3.583 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@@H]2CCCC(F)(F)C2)ccc1Cl ZINC000833159694 604947393 /nfs/dbraw/zinc/94/73/93/604947393.db2.gz VTAIWNBROGOTBQ-SECBINFHSA-N -1 0 332.734 3.738 20 0 EHADRM CC1(C)CN(C(=O)c2ccc(C(=O)[O-])c(F)c2)[C@H]1c1ccccc1 ZINC000828074802 604948354 /nfs/dbraw/zinc/94/83/54/604948354.db2.gz RINDYFBIRPEDFH-INIZCTEOSA-N -1 0 327.355 3.747 20 0 EHADRM C[C@H](OC(=O)c1cc(Cl)c(N)c(Cl)c1)c1ccc(C(=O)[O-])o1 ZINC000833532842 604951471 /nfs/dbraw/zinc/95/14/71/604951471.db2.gz UPCBQKXQHBFEFW-LURJTMIESA-N -1 0 344.150 3.785 20 0 EHADRM CC(C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1)=C1CCCC1 ZINC000825982622 604956159 /nfs/dbraw/zinc/95/61/59/604956159.db2.gz IOIIXXSJOACWTG-UHFFFAOYSA-N -1 0 342.439 3.678 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N[C@@H]2CCCC(F)(F)C2)c1 ZINC000833154785 604958117 /nfs/dbraw/zinc/95/81/17/604958117.db2.gz ZIWUJFWIPJBEIX-SNVBAGLBSA-N -1 0 332.734 3.738 20 0 EHADRM COc1ccc2oc(C(=O)N[C@@]3(C)CCCC[C@@H]3C(=O)[O-])c(C)c2c1 ZINC000559388685 604958492 /nfs/dbraw/zinc/95/84/92/604958492.db2.gz MMGDMYOROFGFJX-KUHUBIRLSA-N -1 0 345.395 3.513 20 0 EHADRM COc1ccc2oc(C)c(C(=O)N[C@]3(C)CCCC[C@H]3C(=O)[O-])c2c1 ZINC000762219605 604960176 /nfs/dbraw/zinc/96/01/76/604960176.db2.gz AZSBDGPCGQBEEL-IFXJQAMLSA-N -1 0 345.395 3.513 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000833210339 604971766 /nfs/dbraw/zinc/97/17/66/604971766.db2.gz HXMFXOZLUYHRKD-VIFPVBQESA-N -1 0 333.240 3.629 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NC2CCC(F)(F)CC2)cc1 ZINC000390453607 604977526 /nfs/dbraw/zinc/97/75/26/604977526.db2.gz BXLXGIGMLWFBIA-UHFFFAOYSA-N -1 0 340.370 3.748 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C1 ZINC000679103035 604996240 /nfs/dbraw/zinc/99/62/40/604996240.db2.gz NKASHSQUEYGXAW-LBPRGKRZSA-N -1 0 348.830 3.784 20 0 EHADRM CCc1nc(NC(=O)[C@H](CC)Oc2ccccc2C)sc1C(=O)[O-] ZINC000833673937 604999346 /nfs/dbraw/zinc/99/93/46/604999346.db2.gz LZYPDPAIQJCUQN-LBPRGKRZSA-N -1 0 348.424 3.508 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000322548838 604999653 /nfs/dbraw/zinc/99/96/53/604999653.db2.gz AVFJVIQUUXXHHU-UHFFFAOYSA-N -1 0 326.274 3.601 20 0 EHADRM C[C@H]1CCc2ccccc2[C@H]1NC(=O)NCCCCCCC(=O)[O-] ZINC000833617270 605021964 /nfs/dbraw/zinc/02/19/64/605021964.db2.gz QGSNNGKCYCPAGY-KSSFIOAISA-N -1 0 332.444 3.644 20 0 EHADRM CC(C)c1ccc([C@H]2CCCN2C(=O)c2cncc(C(=O)[O-])c2)cc1 ZINC000630296983 605032811 /nfs/dbraw/zinc/03/28/11/605032811.db2.gz AHAFQDRLUYNIMZ-GOSISDBHSA-N -1 0 338.407 3.881 20 0 EHADRM C[C@H](CC(=O)N(CC(=O)[O-])Cc1ccccc1)c1ccc(F)cc1F ZINC000431460976 605054291 /nfs/dbraw/zinc/05/42/91/605054291.db2.gz YCYUGCZDTXONEH-CYBMUJFWSA-N -1 0 347.361 3.572 20 0 EHADRM O=C([O-])c1occc1CNCc1cccnc1Oc1cccc(F)c1 ZINC000833785347 605059235 /nfs/dbraw/zinc/05/92/35/605059235.db2.gz QFWGBOPNNSHNJL-UHFFFAOYSA-N -1 0 342.326 3.594 20 0 EHADRM CC(C)[C@@H]1C[C@H](CC(=O)Nc2cc(C(=O)[O-])ccc2Cl)CCO1 ZINC000833469810 605059982 /nfs/dbraw/zinc/05/99/82/605059982.db2.gz DCWOABFOTABPNB-ABAIWWIYSA-N -1 0 339.819 3.818 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000262939167 605063931 /nfs/dbraw/zinc/06/39/31/605063931.db2.gz CBTWCNZTIVKNIO-GOSISDBHSA-N -1 0 343.467 3.531 20 0 EHADRM Cc1ccccc1-c1cnc(COC(=O)C2CCC(C(=O)[O-])CC2)o1 ZINC000833753214 605074739 /nfs/dbraw/zinc/07/47/39/605074739.db2.gz ONAUARMUBXTWKQ-UHFFFAOYSA-N -1 0 343.379 3.584 20 0 EHADRM CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)s1 ZINC000191540038 605084529 /nfs/dbraw/zinc/08/45/29/605084529.db2.gz FNJNVUSAQKSOOC-CQSZACIVSA-N -1 0 331.437 3.516 20 0 EHADRM C[C@@H]1CC[C@]2(CCN(C(=O)Nc3ccc(CCC(=O)[O-])cc3)C2)C1 ZINC000833610277 605096147 /nfs/dbraw/zinc/09/61/47/605096147.db2.gz KHAWPSYGJLUSIE-KUHUBIRLSA-N -1 0 330.428 3.748 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N(Cc1cccc(F)c1)C1CCCC1 ZINC000833451638 605102961 /nfs/dbraw/zinc/10/29/61/605102961.db2.gz SHZDYDBKJRLWQI-UHFFFAOYSA-N -1 0 335.419 3.988 20 0 EHADRM CC[C@@H](C(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1ccc(OC)cc1 ZINC000833636311 605103723 /nfs/dbraw/zinc/10/37/23/605103723.db2.gz NTAXIJUVNBLMCC-GFCCVEGCSA-N -1 0 349.333 3.804 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N(CC1CCCCC1)c1ccccn1 ZINC000833451204 605109699 /nfs/dbraw/zinc/10/96/99/605109699.db2.gz JHIVLUVBRKVAJY-UHFFFAOYSA-N -1 0 332.444 3.886 20 0 EHADRM CC1(C)CCCC[C@H]1CC(=O)N(c1ncc(C(=O)[O-])s1)C1CC1 ZINC000833560168 605123388 /nfs/dbraw/zinc/12/33/88/605123388.db2.gz BZKKCKRAFQFMHW-NSHDSACASA-N -1 0 336.457 3.943 20 0 EHADRM CC1(C)CC[C@H]2C[C@@H](NC(=S)NCCCC(=O)[O-])c3cccc1c32 ZINC000833558532 605124987 /nfs/dbraw/zinc/12/49/87/605124987.db2.gz JLVLLZVSLOZCRP-SWLSCSKDSA-N -1 0 346.496 3.615 20 0 EHADRM C[C@H]1CC[C@H](C)N1C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000706278628 605130635 /nfs/dbraw/zinc/13/06/35/605130635.db2.gz JDZCKWQCTIIRRV-IUCAKERBSA-N -1 0 341.205 3.552 20 0 EHADRM C[C@@H](Nc1ccc(Oc2nncc3ccccc32)c(Cl)c1)C(=O)[O-] ZINC000820154588 605140232 /nfs/dbraw/zinc/14/02/32/605140232.db2.gz QQLCQGBQWHVEGL-SNVBAGLBSA-N -1 0 343.770 3.961 20 0 EHADRM O=C([O-])[C@H]1CCCN1C(=O)CCCCc1ccc(Cl)c(Cl)c1 ZINC000833772416 605145939 /nfs/dbraw/zinc/14/59/39/605145939.db2.gz DUAGQVJIYOGCOX-CQSZACIVSA-N -1 0 344.238 3.782 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2ccc(Cc3ccncc3)cc2)CC1 ZINC000833772319 605148488 /nfs/dbraw/zinc/14/84/88/605148488.db2.gz RPAHCTCEDPURRG-UHFFFAOYSA-N -1 0 338.407 3.502 20 0 EHADRM CC(C)(C)C(=O)CS[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833419902 605148979 /nfs/dbraw/zinc/14/89/79/605148979.db2.gz ZPUJYNIRQXRPCZ-GFCCVEGCSA-N -1 0 345.258 3.923 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2ccc(F)cc2C(F)(F)F)CC1 ZINC000833772284 605149569 /nfs/dbraw/zinc/14/95/69/605149569.db2.gz OXDXJMACPXNKEP-UHFFFAOYSA-N -1 0 333.281 3.674 20 0 EHADRM Cc1ccc(F)c(C(=O)Oc2ccc(Cl)cc2C(=O)[O-])c1F ZINC000833749880 605158166 /nfs/dbraw/zinc/15/81/66/605158166.db2.gz XYHIQCBLWIPFQL-UHFFFAOYSA-N -1 0 326.682 3.844 20 0 EHADRM Cc1c(C(=O)[O-])csc1NC(=O)c1sccc1Br ZINC000833741480 605158349 /nfs/dbraw/zinc/15/83/49/605158349.db2.gz OQHWXVQZSRBOQW-UHFFFAOYSA-N -1 0 346.227 3.831 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)OCc2cc(C(=O)[O-])oc2C)c1C(C)C ZINC000833400995 605159193 /nfs/dbraw/zinc/15/91/93/605159193.db2.gz QDDPRUHXSJUTRM-UHFFFAOYSA-N -1 0 347.367 3.606 20 0 EHADRM Cc1c(NC(=O)Nc2ccc(CCC(=O)[O-])cc2)cnn1CC(C)C ZINC000833742470 605160629 /nfs/dbraw/zinc/16/06/29/605160629.db2.gz SBKFYHVXWARMEC-UHFFFAOYSA-N -1 0 344.415 3.509 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000316464776 605167732 /nfs/dbraw/zinc/16/77/32/605167732.db2.gz UZFQRJQHHINFCJ-SECBINFHSA-N -1 0 336.800 3.553 20 0 EHADRM CC(C)(C)/C=C\C(=O)OCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833422446 605187496 /nfs/dbraw/zinc/18/74/96/605187496.db2.gz HTRRAPPZUVDSTK-HJWRWDBZSA-N -1 0 329.352 3.685 20 0 EHADRM CCN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC000833655089 605198367 /nfs/dbraw/zinc/19/83/67/605198367.db2.gz XIATWMQKWSXGRA-UHFFFAOYSA-N -1 0 347.436 3.525 20 0 EHADRM CC[C@H](C)Oc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)ccn1 ZINC000833640866 605201959 /nfs/dbraw/zinc/20/19/59/605201959.db2.gz HBFSMHXEHDEDLY-JTQLQIEISA-N -1 0 348.786 3.863 20 0 EHADRM CC[C@H](C)Oc1cc(C(=O)Nc2cccc(NC(=O)[O-])c2)ccn1 ZINC000833641239 605205949 /nfs/dbraw/zinc/20/59/49/605205949.db2.gz RJLZDHRJSNUTRD-NSHDSACASA-N -1 0 329.356 3.601 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)c3cncc(C(=O)[O-])c3)ccc21 ZINC000833493566 605223624 /nfs/dbraw/zinc/22/36/24/605223624.db2.gz FFOLTLWQCRIKRV-UHFFFAOYSA-N -1 0 337.379 3.643 20 0 EHADRM CCCOc1ccc([C@@H](C)NC(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC000833651889 605231663 /nfs/dbraw/zinc/23/16/63/605231663.db2.gz FTJFQMCEJQYYDW-CQSZACIVSA-N -1 0 341.407 3.594 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000833641844 605231726 /nfs/dbraw/zinc/23/17/26/605231726.db2.gz QDQSCFLQBFWVFD-UHFFFAOYSA-N -1 0 329.400 3.812 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)C(=O)[O-] ZINC000833425061 605234527 /nfs/dbraw/zinc/23/45/27/605234527.db2.gz AXTYVSZOTTXHBQ-AWEZNQCLSA-N -1 0 336.432 3.562 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000431462946 605240620 /nfs/dbraw/zinc/24/06/20/605240620.db2.gz FAIUORPDTLURKV-YJBOKZPZSA-N -1 0 325.408 3.588 20 0 EHADRM CC(C)(C)OC(=O)[C@@H](NCc1ccsc1C(=O)[O-])c1ccccc1 ZINC000833444941 605244722 /nfs/dbraw/zinc/24/47/22/605244722.db2.gz RJRBTXSIBWBATR-AWEZNQCLSA-N -1 0 347.436 3.619 20 0 EHADRM CN(Cc1cccc(NCc2occc2Br)c1)C(=O)[O-] ZINC000828381791 605245747 /nfs/dbraw/zinc/24/57/47/605245747.db2.gz ANCRFFVVXAKEBN-UHFFFAOYSA-N -1 0 339.189 3.764 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)N(CC)c1ccccc1C(=O)[O-] ZINC000833641899 605250950 /nfs/dbraw/zinc/25/09/50/605250950.db2.gz RSUSRFUYSJJLPM-UHFFFAOYSA-N -1 0 343.427 3.918 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)Cc2ccccc2C(=O)[O-])C1 ZINC000566893967 605251585 /nfs/dbraw/zinc/25/15/85/605251585.db2.gz HNQZMDQQSZHDSO-UGSOOPFHSA-N -1 0 341.382 3.676 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(C(=O)[O-])nc1)c1c(Cl)cccc1Cl ZINC000833408072 605253770 /nfs/dbraw/zinc/25/37/70/605253770.db2.gz GEHXRHHATKYHCZ-MRVPVSSYSA-N -1 0 339.178 3.829 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC000833421999 605255795 /nfs/dbraw/zinc/25/57/95/605255795.db2.gz QFQQWYKGKDBZRV-UHFFFAOYSA-N -1 0 339.391 3.795 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000833452879 605264118 /nfs/dbraw/zinc/26/41/18/605264118.db2.gz XTZRHWSSKUAAFF-UHFFFAOYSA-N -1 0 344.238 3.990 20 0 EHADRM CC(C)COc1ccc([C@H](C)NC(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000236648778 605264298 /nfs/dbraw/zinc/26/42/98/605264298.db2.gz WLKVNNOQFBTSSM-AWEZNQCLSA-N -1 0 335.444 3.790 20 0 EHADRM C[C@H](OC(=O)[C@@H]1CCc2c1cccc2Cl)c1ccc(C(=O)[O-])o1 ZINC000833529386 605276380 /nfs/dbraw/zinc/27/63/80/605276380.db2.gz SWQGQIJXWUDWDN-JOYOIKCWSA-N -1 0 334.755 3.965 20 0 EHADRM CC(=O)c1ccc(Oc2ccc(C(=O)OCCCC(=O)[O-])cc2)cc1 ZINC000833401962 605285751 /nfs/dbraw/zinc/28/57/51/605285751.db2.gz WACJWKQMFYFZBN-UHFFFAOYSA-N -1 0 342.347 3.703 20 0 EHADRM CCc1cc(N[C@@H](C(=O)[O-])c2cccc(C(=O)OC)c2)ccc1C ZINC000833671683 605290241 /nfs/dbraw/zinc/29/02/41/605290241.db2.gz OLZVBGFOMLWOLN-QGZVFWFLSA-N -1 0 327.380 3.582 20 0 EHADRM Cc1c(-c2nc(C[C@H](C)N(C)C(=O)[O-])no2)sc2nccc(C)c12 ZINC000830611796 605303307 /nfs/dbraw/zinc/30/33/07/605303307.db2.gz PKVYVPMXUSFZOW-VIFPVBQESA-N -1 0 346.412 3.504 20 0 EHADRM CC(C)(C(=O)OCc1ccc(NC(=O)[O-])cc1)c1cccc(F)c1 ZINC000833419458 605303444 /nfs/dbraw/zinc/30/34/44/605303444.db2.gz USAMIPIIJPZXRI-UHFFFAOYSA-N -1 0 331.343 3.937 20 0 EHADRM CC(C)C[C@@H](CNC(=O)CC1CCC(C(F)(F)F)CC1)C(=O)[O-] ZINC000191025284 605305844 /nfs/dbraw/zinc/30/58/44/605305844.db2.gz YVPWSZYWDAFYLI-CPCZMJQVSA-N -1 0 337.382 3.608 20 0 EHADRM COCCC[C@@H](C)C(=O)OCc1c2ccccc2sc1C(=O)[O-] ZINC000833724494 605314939 /nfs/dbraw/zinc/31/49/39/605314939.db2.gz DWZGWXOUTYETHC-LLVKDONJSA-N -1 0 336.409 3.705 20 0 EHADRM CCCOc1cc(-c2nc3ccc(C(=O)[O-])cc3n2C)ccc1OC ZINC000833651824 605321185 /nfs/dbraw/zinc/32/11/85/605321185.db2.gz CGDUPRYFNTTYKN-UHFFFAOYSA-N -1 0 340.379 3.736 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)c1cccc([C@@H]2CCCOC2)c1 ZINC000834275437 605340503 /nfs/dbraw/zinc/34/05/03/605340503.db2.gz HIFOLNBWWAJGAY-OAHLLOKOSA-N -1 0 340.379 3.923 20 0 EHADRM CC(C)Oc1c(F)cc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1F ZINC000833505424 605375886 /nfs/dbraw/zinc/37/58/86/605375886.db2.gz KELNYZKPWYOWGI-QWRGUYRKSA-N -1 0 341.354 3.582 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)C=Cc2ccnc(Cl)c2)c1 ZINC000834261828 605381730 /nfs/dbraw/zinc/38/17/30/605381730.db2.gz OWWMLUKIKYPHHC-RJRFIUFISA-N -1 0 335.722 3.616 20 0 EHADRM CCC(CC)[C@H]1C[C@H](NC(=O)Nc2cc(C(=O)[O-])cs2)CCO1 ZINC000833642022 605400843 /nfs/dbraw/zinc/40/08/43/605400843.db2.gz FDEWPUJOBNKEJM-CHWSQXEVSA-N -1 0 340.445 3.552 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000833481091 605410967 /nfs/dbraw/zinc/41/09/67/605410967.db2.gz UBHOPCHHACWFGB-IAGOWNOFSA-N -1 0 348.418 3.560 20 0 EHADRM CC(C)(C)Sc1cc(C(=O)Nc2ccccc2C(=O)[O-])ccn1 ZINC000833448188 605417685 /nfs/dbraw/zinc/41/76/85/605417685.db2.gz PFGOCABSGIRALF-UHFFFAOYSA-N -1 0 330.409 3.923 20 0 EHADRM O=C([O-])NC1CCC(C(=O)N2CCC[C@@H]2CCC2CCCC2)CC1 ZINC000832248470 605422973 /nfs/dbraw/zinc/42/29/73/605422973.db2.gz XBLRKZSRCPVRFT-OFLPRAFFSA-N -1 0 336.476 3.774 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2n[nH]c3c2cccc3Cl)ccc1F ZINC000832821155 605452689 /nfs/dbraw/zinc/45/26/89/605452689.db2.gz VOOVCNPTFNZTCK-UHFFFAOYSA-N -1 0 348.721 3.698 20 0 EHADRM C[C@@H](CC(=O)N(C)c1ccc(OCC(=O)[O-])cc1)C1CCCCC1 ZINC000263196003 605454593 /nfs/dbraw/zinc/45/45/93/605454593.db2.gz YCRUFJLCERECQJ-AWEZNQCLSA-N -1 0 333.428 3.719 20 0 EHADRM C[C@H](C(=O)NCC1(C(=O)[O-])CCCCC1)c1ccc(Cl)s1 ZINC000191508838 605469276 /nfs/dbraw/zinc/46/92/76/605469276.db2.gz AJRXUSFJLLPHMA-JTQLQIEISA-N -1 0 329.849 3.656 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833384174 605471483 /nfs/dbraw/zinc/47/14/83/605471483.db2.gz OBUWGBIPCKDPCE-OKACTXMXSA-N -1 0 329.440 3.748 20 0 EHADRM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000825832955 605475485 /nfs/dbraw/zinc/47/54/85/605475485.db2.gz WVDJGIRUQFKIRT-WCBMZHEXSA-N -1 0 346.214 3.646 20 0 EHADRM CCc1ccc(C(=O)CCC(=O)OCc2ccccc2C(=O)[O-])cc1 ZINC000833670461 605497013 /nfs/dbraw/zinc/49/70/13/605497013.db2.gz XUQUCTUIZMZDBI-UHFFFAOYSA-N -1 0 340.375 3.654 20 0 EHADRM O=C([O-])N1CCC[C@H]1CNC(=O)Nc1cc(C(F)F)ccc1Cl ZINC000831647504 605557222 /nfs/dbraw/zinc/55/72/22/605557222.db2.gz NDQATCHVQPZIAN-VIFPVBQESA-N -1 0 347.749 3.542 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(OC(F)F)cc2)ccc1NC(=O)[O-] ZINC000829965842 605573056 /nfs/dbraw/zinc/57/30/56/605573056.db2.gz LQDHZHRNXHSCGI-UHFFFAOYSA-N -1 0 336.294 3.939 20 0 EHADRM C[C@H]1C[C@@H](C(=O)NCCc2ccc(NC(=O)[O-])cc2)CC(C)(C)C1 ZINC000833591627 605608010 /nfs/dbraw/zinc/60/80/10/605608010.db2.gz YHZRYDLKIORJHH-DZGCQCFKSA-N -1 0 332.444 3.898 20 0 EHADRM Cc1ccc(C(F)(F)C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000833748923 605619322 /nfs/dbraw/zinc/61/93/22/605619322.db2.gz JFQZVYJAWPTHFT-CYBMUJFWSA-N -1 0 345.345 3.692 20 0 EHADRM Cc1cc(C(=O)Nc2cccnc2OC(C)C)ccc1NC(=O)[O-] ZINC000829966284 605623120 /nfs/dbraw/zinc/62/31/20/605623120.db2.gz XGFXITPZYVELPQ-UHFFFAOYSA-N -1 0 329.356 3.519 20 0 EHADRM Cc1cc(C(=O)N2CCc3cccc(Cl)c32)ccc1NC(=O)[O-] ZINC000829934193 605625636 /nfs/dbraw/zinc/62/56/36/605625636.db2.gz GVHXDHOUGRXYKA-UHFFFAOYSA-N -1 0 330.771 3.941 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2ccc([C@@H]3CCCOC3)cc2)c1 ZINC000668283583 605625654 /nfs/dbraw/zinc/62/56/54/605625654.db2.gz SYVUAVWXBVCJOY-CYBMUJFWSA-N -1 0 331.393 3.593 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)c2ccc(C(C)C)nc2)c1 ZINC000829469870 605625757 /nfs/dbraw/zinc/62/57/57/605625757.db2.gz YJTPCVVNOMDMNT-UHFFFAOYSA-N -1 0 329.356 3.556 20 0 EHADRM COC(=O)Nc1ccc(NC(=O)c2ccc(NC(=O)[O-])c(C)c2)cc1 ZINC000828723699 605627499 /nfs/dbraw/zinc/62/74/99/605627499.db2.gz XAGJITXSTXIOOL-UHFFFAOYSA-N -1 0 343.339 3.516 20 0 EHADRM CC(C)c1ccc(COC(=O)c2cnc(C(=O)[O-])cn2)c(C(C)C)c1 ZINC000833509774 605639997 /nfs/dbraw/zinc/63/99/97/605639997.db2.gz FPQFRXUFGDXTTH-UHFFFAOYSA-N -1 0 342.395 3.779 20 0 EHADRM C[C@@H]1CC(C)(C)c2ccccc2N1C(=O)C1CCC(C(=O)[O-])CC1 ZINC000833589922 605645519 /nfs/dbraw/zinc/64/55/19/605645519.db2.gz NSHCIAFALPORMW-WLYUNCDWSA-N -1 0 329.440 3.980 20 0 EHADRM O=C([O-])NC[C@@H]1CCC[C@@H]1Nc1cccc(COCc2ccco2)c1 ZINC000834215687 605654222 /nfs/dbraw/zinc/65/42/22/605654222.db2.gz POHGGEVWSKCGCR-YJBOKZPZSA-N -1 0 344.411 3.845 20 0 EHADRM O=C([O-])NC[C@H]1CCC[C@H]1Nc1cccc(COCc2ccco2)c1 ZINC000834215684 605654260 /nfs/dbraw/zinc/65/42/60/605654260.db2.gz POHGGEVWSKCGCR-CRAIPNDOSA-N -1 0 344.411 3.845 20 0 EHADRM COc1cc(NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc(OC)c1C(C)C ZINC000833887681 605657635 /nfs/dbraw/zinc/65/76/35/605657635.db2.gz JZUWYKFQJRMZES-LQDVMPOASA-N -1 0 348.443 3.913 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2ccc(C(F)(F)F)nc2)ccc1F ZINC000834257050 605681431 /nfs/dbraw/zinc/68/14/31/605681431.db2.gz RGNCYXANKHLUOJ-UHFFFAOYSA-N -1 0 343.236 3.582 20 0 EHADRM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000833604786 605709747 /nfs/dbraw/zinc/70/97/47/605709747.db2.gz GUOIOLZDXSERGU-NXEZZACHSA-N -1 0 345.321 3.971 20 0 EHADRM CC(C)CO[C@H](C)C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833489773 605713003 /nfs/dbraw/zinc/71/30/03/605713003.db2.gz KDISRLUKWHMGOW-NOZJJQNGSA-N -1 0 349.210 3.723 20 0 EHADRM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccsc1C(=O)[O-] ZINC000833606498 605716060 /nfs/dbraw/zinc/71/60/60/605716060.db2.gz QJPZPHWQSBVCCC-SFYZADRCSA-N -1 0 336.335 3.641 20 0 EHADRM Cc1cc(C(=O)N2C[C@H](C(F)(F)F)CC[C@H]2C)ccc1NC(=O)[O-] ZINC000833899440 605769820 /nfs/dbraw/zinc/76/98/20/605769820.db2.gz RHDMIUFCXCWHJB-ZYHUDNBSSA-N -1 0 344.333 3.888 20 0 EHADRM C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)CCCC(=O)[O-])c2)C1 ZINC000753975883 605778578 /nfs/dbraw/zinc/77/85/78/605778578.db2.gz HIXNPMPSLWUIHJ-WMLDXEAASA-N -1 0 333.428 3.975 20 0 EHADRM C[C@H](SCc1cc(C(=O)[O-])ccc1Cl)C(=O)NC1CCCC1 ZINC000833541703 605788386 /nfs/dbraw/zinc/78/83/86/605788386.db2.gz DXEQVIIFYLRBRY-JTQLQIEISA-N -1 0 341.860 3.719 20 0 EHADRM Cc1ccc(C[C@@H](C)C(=O)Oc2ccc(CC(=O)[O-])cc2F)cc1 ZINC000833748988 605797203 /nfs/dbraw/zinc/79/72/03/605797203.db2.gz YDHUUPFAMFFZPR-CYBMUJFWSA-N -1 0 330.355 3.545 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)Cc2csc3ccccc23)c(F)c1 ZINC000833777101 605798894 /nfs/dbraw/zinc/79/88/94/605798894.db2.gz ZCCNHBOWGMMZPH-UHFFFAOYSA-N -1 0 344.363 3.816 20 0 EHADRM C[C@@H](C(=O)Oc1ccc(CC(=O)[O-])cc1F)c1ccc(Cl)s1 ZINC000833409451 605803208 /nfs/dbraw/zinc/80/32/08/605803208.db2.gz MFHKMZGUCCMSFB-MRVPVSSYSA-N -1 0 342.775 3.877 20 0 EHADRM O=C([O-])c1ccc(F)c(COC(=O)c2cc(-c3ccccc3)no2)c1 ZINC000833780738 605811795 /nfs/dbraw/zinc/81/17/95/605811795.db2.gz CAQPNTCPIRAMOS-UHFFFAOYSA-N -1 0 341.294 3.536 20 0 EHADRM CC(C)c1nc([C@H]2CCCN2Cc2cc(C(=O)[O-])ccc2Cl)no1 ZINC000833512386 605831578 /nfs/dbraw/zinc/83/15/78/605831578.db2.gz OHXOAIZYBHPTEO-CQSZACIVSA-N -1 0 349.818 3.882 20 0 EHADRM Cc1cc(C(=O)OCc2nc3ccccc3o2)ccc1NC(=O)[O-] ZINC000829976277 605833089 /nfs/dbraw/zinc/83/30/89/605833089.db2.gz LXCUQSJNOADQDU-UHFFFAOYSA-N -1 0 326.308 3.583 20 0 EHADRM Cc1cc(C(=O)O[C@@H](C)c2nc(C(C)C)no2)ccc1NC(=O)[O-] ZINC000829970972 605834416 /nfs/dbraw/zinc/83/44/16/605834416.db2.gz JTPUQWKIORDMNH-JTQLQIEISA-N -1 0 333.344 3.509 20 0 EHADRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)C1CCC(c2ccccc2)CC1 ZINC000825800998 605859664 /nfs/dbraw/zinc/85/96/64/605859664.db2.gz KCXQBNGXCMFXHJ-AGERRDQYSA-N -1 0 344.455 3.608 20 0 EHADRM Cc1nc(NC(=O)[O-])sc1C(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000833913376 605940867 /nfs/dbraw/zinc/94/08/67/605940867.db2.gz AFIHTLPGZSZHGL-VIFPVBQESA-N -1 0 337.376 3.514 20 0 EHADRM O=C([O-])NC[C@H]1CCCCN1C(=O)Nc1cccc2ccsc21 ZINC000834219296 605963306 /nfs/dbraw/zinc/96/33/06/605963306.db2.gz KWHWSPCRHPMGFP-GFCCVEGCSA-N -1 0 333.413 3.555 20 0 EHADRM O=C([O-])N(CC(=O)Nc1c(F)cc(F)cc1-c1ccccc1)C1CC1 ZINC000834000927 605971013 /nfs/dbraw/zinc/97/10/13/605971013.db2.gz CAPLSKGGQNNWPG-UHFFFAOYSA-N -1 0 346.333 3.713 20 0 EHADRM Cc1cc(S(=O)(=O)Nc2cc(NC(=O)[O-])ccc2C)c(C)s1 ZINC000833900820 605992456 /nfs/dbraw/zinc/99/24/56/605992456.db2.gz CABKHYQHMJJDLC-UHFFFAOYSA-N -1 0 340.426 3.564 20 0 EHADRM CCCN(C(=O)Nc1cccc(C)c1F)C1CCN(C(=O)[O-])CC1 ZINC000833854798 606004909 /nfs/dbraw/zinc/00/49/09/606004909.db2.gz ZHMHTVSBZYAERS-UHFFFAOYSA-N -1 0 337.395 3.520 20 0 EHADRM O=C([O-])Nc1cccc(CCCOC(=O)c2csc(C3CC3)n2)c1 ZINC000834268550 606023248 /nfs/dbraw/zinc/02/32/48/606023248.db2.gz ITAORXKQILMWFJ-UHFFFAOYSA-N -1 0 346.408 3.900 20 0 EHADRM CN(C(=O)CCCCCCNC(=O)[O-])c1ccc(F)c(Cl)c1 ZINC000833869218 606027348 /nfs/dbraw/zinc/02/73/48/606027348.db2.gz MAIHJYPVUYAASF-UHFFFAOYSA-N -1 0 330.787 3.660 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)C(F)(F)c2ccccc2F)c1 ZINC000834260875 606033850 /nfs/dbraw/zinc/03/38/50/606033850.db2.gz AMQXCNRNMPBXSM-UHFFFAOYSA-N -1 0 342.248 3.785 20 0 EHADRM O=C([O-])N1CCC(CCC(=O)N2CCCC[C@@H]2c2ccco2)CC1 ZINC000834076439 606052697 /nfs/dbraw/zinc/05/26/97/606052697.db2.gz PYWQYFGNARNHHF-OAHLLOKOSA-N -1 0 334.416 3.503 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N1CCCC[C@H]1c1nccs1 ZINC000834270150 606059519 /nfs/dbraw/zinc/05/95/19/606059519.db2.gz AQJWLBDSRCIDOK-AWEZNQCLSA-N -1 0 345.424 3.529 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)Nc1cc(C2CCCCC2)[nH]n1 ZINC000834272432 606068390 /nfs/dbraw/zinc/06/83/90/606068390.db2.gz CNOGQMCUTLAKPW-UHFFFAOYSA-N -1 0 342.399 3.729 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cccc2cc[nH]c21)c1ccc2ccccc2c1 ZINC000191486502 939038159 /nfs/dbraw/zinc/03/81/59/939038159.db2.gz OKVREOXNYAQCTD-LJQANCHMSA-N -1 0 344.370 3.877 20 0 EHADRM CC(C)Sc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000236630552 939043604 /nfs/dbraw/zinc/04/36/04/939043604.db2.gz XWMQQRACYBZUFS-INIZCTEOSA-N -1 0 329.421 3.743 20 0 EHADRM CSc1c(F)cc(NC(=O)NC2(C(=O)[O-])CCCCC2)cc1F ZINC000684750172 939052472 /nfs/dbraw/zinc/05/24/72/939052472.db2.gz XYNVVIICWRIZBS-UHFFFAOYSA-N -1 0 344.383 3.596 20 0 EHADRM O=C([O-])C1(NC(=O)c2ccc(CSc3ccccc3)cc2)CCC1 ZINC000237973032 939052943 /nfs/dbraw/zinc/05/29/43/939052943.db2.gz YFZDEGJBNDWPEK-UHFFFAOYSA-N -1 0 341.432 3.716 20 0 EHADRM O=C([O-])C1(NC(=O)Cc2ccc(C(F)(F)F)cc2)CCCCCC1 ZINC000238086069 939056927 /nfs/dbraw/zinc/05/69/27/939056927.db2.gz CVJQHCNNGBWAJV-UHFFFAOYSA-N -1 0 343.345 3.542 20 0 EHADRM O=C([O-])C1(NC(=O)CCCc2ccc(Cl)cc2)CCCCCC1 ZINC000746365869 939061569 /nfs/dbraw/zinc/06/15/69/939061569.db2.gz PNLONDCPDITFOU-UHFFFAOYSA-N -1 0 337.847 3.957 20 0 EHADRM C/C(=C\C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)c1ccccc1Cl ZINC000766961309 939081711 /nfs/dbraw/zinc/08/17/11/939081711.db2.gz FFSKVHQHLZQGGD-JXOMPUQVSA-N -1 0 343.810 3.860 20 0 EHADRM CC[C@](NC(=O)[C@@H](C)c1c(F)cccc1F)(C(=O)[O-])c1ccccc1 ZINC000263048024 939095391 /nfs/dbraw/zinc/09/53/91/939095391.db2.gz FERHWBGEPNRVSU-HXPMCKFVSA-N -1 0 347.361 3.575 20 0 EHADRM Cc1ccc([C@@H](NC(=O)CCCc2cccs2)C(=O)[O-])cc1C ZINC000263067511 939096983 /nfs/dbraw/zinc/09/69/83/939096983.db2.gz TWFIMHQXFYBVDG-QGZVFWFLSA-N -1 0 331.437 3.630 20 0 EHADRM COc1ccc([C@@H](NC(=O)CC[C@@H](C)c2ccccc2)C(=O)[O-])cc1 ZINC000263537405 939115090 /nfs/dbraw/zinc/11/50/90/939115090.db2.gz PGISORZBNXNDGL-AUUYWEPGSA-N -1 0 341.407 3.521 20 0 EHADRM C[C@](NC(=O)c1cc(Cl)cc(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC000315609172 939121389 /nfs/dbraw/zinc/12/13/89/939121389.db2.gz MGYGSQJSGFMVIH-MRXNPFEDSA-N -1 0 338.190 3.723 20 0 EHADRM Cc1ccc(CCC(=O)N[C@H](C(=O)[O-])c2cccs2)cc1Cl ZINC000316630666 939122151 /nfs/dbraw/zinc/12/21/51/939122151.db2.gz MWHJZBMUTCEPCN-HNNXBMFYSA-N -1 0 337.828 3.585 20 0 EHADRM Cc1ccccc1CC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000431862759 939163753 /nfs/dbraw/zinc/16/37/53/939163753.db2.gz BRPDJAGQHOMJRM-FQEVSTJZSA-N -1 0 333.387 3.633 20 0 EHADRM Cc1ccc(CCC(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)o1 ZINC000431865290 939164215 /nfs/dbraw/zinc/16/42/15/939164215.db2.gz OUKSCFUXCJLDHN-IBGZPJMESA-N -1 0 337.375 3.616 20 0 EHADRM CCCc1ccc(NC(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000797735371 939198030 /nfs/dbraw/zinc/19/80/30/939198030.db2.gz JSEXQECTTOHNKJ-INIZCTEOSA-N -1 0 348.349 3.865 20 0 EHADRM CCCCCc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2cccnc2)cc1 ZINC000797735611 939198613 /nfs/dbraw/zinc/19/86/13/939198613.db2.gz RXWVRRFSAWHRSU-QGZVFWFLSA-N -1 0 341.411 3.762 20 0 EHADRM Cc1ccc(C)c(C(=O)CCC(=O)NC2(C(=O)[O-])CCCCCC2)c1 ZINC000439914042 939203433 /nfs/dbraw/zinc/20/34/33/939203433.db2.gz UNEYFLWGTDISPA-UHFFFAOYSA-N -1 0 345.439 3.560 20 0 EHADRM CC[C@H](CC(=O)N[C@H](C(=O)[O-])c1cccs1)c1ccc(OC)cc1 ZINC000448994723 939206185 /nfs/dbraw/zinc/20/61/85/939206185.db2.gz PEHSUQZJKIHEDA-PXAZEXFGSA-N -1 0 347.436 3.583 20 0 EHADRM CSCc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(C)c(C)c2)cc1 ZINC000449001238 939207274 /nfs/dbraw/zinc/20/72/74/939207274.db2.gz ZIHYNQAPAHTCPV-KRWDZBQOSA-N -1 0 343.448 3.722 20 0 EHADRM CCCCCc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccccn2)cc1 ZINC000797755615 939210016 /nfs/dbraw/zinc/21/00/16/939210016.db2.gz KXHDLBBWHZTHHK-QGZVFWFLSA-N -1 0 341.411 3.762 20 0 EHADRM CC[C@](NC(=O)c1ccc(C)s1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507315177 939234635 /nfs/dbraw/zinc/23/46/35/939234635.db2.gz CICODNITWULMIC-MRXNPFEDSA-N -1 0 337.828 3.830 20 0 EHADRM CSc1ccc(NC(=O)NC2(C(=O)[O-])CCCC2)cc1Cl ZINC000515322121 939241046 /nfs/dbraw/zinc/24/10/46/939241046.db2.gz FNXLSIRBFFPJKJ-UHFFFAOYSA-N -1 0 328.821 3.581 20 0 EHADRM Cc1nc2ccc(NC(=O)N[C@H](C(=O)[O-])C3CCCCC3)cc2s1 ZINC000515897150 939242265 /nfs/dbraw/zinc/24/22/65/939242265.db2.gz YIOUADLJNUOYLX-HNNXBMFYSA-N -1 0 347.440 3.760 20 0 EHADRM CCOc1ccc(NC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)c(C)c1 ZINC000900331052 939275579 /nfs/dbraw/zinc/27/55/79/939275579.db2.gz IOMOHLUKAYXAMW-LJQANCHMSA-N -1 0 342.395 3.515 20 0 EHADRM Cc1ccc(-c2ccc(C)c(NC(=O)N[C@H](C(=O)[O-])C3CC3)c2)o1 ZINC000900347158 939278809 /nfs/dbraw/zinc/27/88/09/939278809.db2.gz TVTHBONDNUKDRL-INIZCTEOSA-N -1 0 328.368 3.548 20 0 EHADRM O=C([O-])[C@@H](NC(=O)C1CCCCCC1)c1ccc(OC(F)F)cc1 ZINC000539603889 939283919 /nfs/dbraw/zinc/28/39/19/939283919.db2.gz NGQNNYSYKZRJOE-AWEZNQCLSA-N -1 0 341.354 3.500 20 0 EHADRM CC(C)[C@H](CC(=O)N[C@@H](C(=O)[O-])c1ccsc1)c1ccccc1 ZINC000566506824 939354752 /nfs/dbraw/zinc/35/47/52/939354752.db2.gz HVFPOWPVXDPYQO-DOTOQJQBSA-N -1 0 331.437 3.820 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)NC3(C(=O)[O-])CCCC3)cc2)cs1 ZINC000566540363 939354984 /nfs/dbraw/zinc/35/49/84/939354984.db2.gz OFEFROWQDAIORG-UHFFFAOYSA-N -1 0 345.424 3.637 20 0 EHADRM CCc1cc(NC(=O)N[C@H](C(=O)[O-])c2ccc(OC)cc2)ccc1C ZINC000568713170 939369416 /nfs/dbraw/zinc/36/94/16/939369416.db2.gz HBGFIKAVIZRZMM-KRWDZBQOSA-N -1 0 342.395 3.513 20 0 EHADRM CC1(C)C[C@@H](NC(=O)N[C@@H](C(=O)[O-])c2cccs2)c2ccccc21 ZINC000570629330 939385212 /nfs/dbraw/zinc/38/52/12/939385212.db2.gz XQYWRDDERZDCER-UKRRQHHQSA-N -1 0 344.436 3.596 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)NC2(C(=O)[O-])CCCC2)cc1 ZINC000581150584 939776152 /nfs/dbraw/zinc/77/61/52/939776152.db2.gz POHIXYUWBJQPFH-UHFFFAOYSA-N -1 0 334.416 3.630 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cscc1C(F)F)C1CCCCCC1 ZINC000911782813 939782450 /nfs/dbraw/zinc/78/24/50/939782450.db2.gz XOROVYVDLYXWTC-LBPRGKRZSA-N -1 0 331.384 3.839 20 0 EHADRM C[C@H](NC(=O)N[C@](C)(C(=O)[O-])C1CC1)c1cc2ccccc2s1 ZINC000583043645 939788417 /nfs/dbraw/zinc/78/84/17/939788417.db2.gz ZJKUUKAKLFYWNA-BTDLBPIBSA-N -1 0 332.425 3.515 20 0 EHADRM O=C([O-])[C@@H](NC(=O)C1CCC(c2ccccc2)CC1)c1ccsc1 ZINC000583764504 939793117 /nfs/dbraw/zinc/79/31/17/939793117.db2.gz KWXIITACTNIESA-DQPZFDDXSA-N -1 0 343.448 3.964 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2cccc(-c3nccs3)c2)CCCCC1 ZINC000584507681 939798453 /nfs/dbraw/zinc/79/84/53/939798453.db2.gz AQPLNFDQBSANJR-UHFFFAOYSA-N -1 0 345.424 3.719 20 0 EHADRM CSCc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000619544001 939810233 /nfs/dbraw/zinc/81/02/33/939810233.db2.gz YFGKNFHRLZJZEY-OAHLLOKOSA-N -1 0 348.399 3.636 20 0 EHADRM Cc1c(Br)cccc1NC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC000663077030 939852968 /nfs/dbraw/zinc/85/29/68/939852968.db2.gz GKEYQHQTMLCWBA-ZDUSSCGKSA-N -1 0 340.217 3.587 20 0 EHADRM CC(C)Oc1ccc([C@@H](C)NC(=O)[C@@H](C(=O)[O-])C2CCCC2)cc1 ZINC000663065913 939852131 /nfs/dbraw/zinc/85/21/31/939852131.db2.gz GCSRAPIBYMGKEQ-DYVFJYSZSA-N -1 0 333.428 3.542 20 0 EHADRM C[C@@](NC(=O)c1cc2cc(Cl)ccc2o1)(C(=O)[O-])c1ccccc1 ZINC000675979695 939864332 /nfs/dbraw/zinc/86/43/32/939864332.db2.gz PUVPQVJCGZWTQQ-SFHVURJKSA-N -1 0 343.766 3.816 20 0 EHADRM CC[C@H](CC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000675980483 939865024 /nfs/dbraw/zinc/86/50/24/939865024.db2.gz UEFOTHHXYSLSOW-FOIQADDNSA-N -1 0 325.408 3.687 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000675983184 939866288 /nfs/dbraw/zinc/86/62/88/939866288.db2.gz YVFDXZNORGQKPU-FQEVSTJZSA-N -1 0 337.375 3.779 20 0 EHADRM O=C([O-])[C@]1(NC(=O)c2ccc3sccc3c2)CCc2ccccc21 ZINC000678979316 939868521 /nfs/dbraw/zinc/86/85/21/939868521.db2.gz SASAGWXCJSURPF-IBGZPJMESA-N -1 0 337.400 3.557 20 0 EHADRM Cc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000683921148 939871187 /nfs/dbraw/zinc/87/11/87/939871187.db2.gz ICEQEEHDILXHAR-CQSZACIVSA-N -1 0 336.750 3.735 20 0 EHADRM CCC[C@H](C)NC(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000684711062 939871337 /nfs/dbraw/zinc/87/13/37/939871337.db2.gz ONRUGPYQPLUKKF-BJOHPYRUSA-N -1 0 347.242 3.781 20 0 EHADRM CC[C@H](NC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1)C(C)C ZINC000684724597 939872871 /nfs/dbraw/zinc/87/28/71/939872871.db2.gz HFGGAGAEDBFBGU-IRXDYDNUSA-N -1 0 328.412 3.699 20 0 EHADRM C[C@@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1Cl ZINC000321570926 970785076 /nfs/dbraw/zinc/78/50/76/970785076.db2.gz NUIMMQIMJOVXLF-LLVKDONJSA-N -1 0 332.787 3.599 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000321588535 970786420 /nfs/dbraw/zinc/78/64/20/970786420.db2.gz DTOIDALEUQBOBR-RNCFNFMXSA-N -1 0 326.343 3.753 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2ccc(OCC(=O)[O-])cc2)C(C)C)c1 ZINC001600515186 970820348 /nfs/dbraw/zinc/82/03/48/970820348.db2.gz AWNURAHCGCEXNA-IBGZPJMESA-N -1 0 341.407 3.586 20 0 EHADRM CC(C)(C)c1cc(C(=O)Nc2ccccc2C(=O)[O-])cc(Cl)n1 ZINC000321902839 970822783 /nfs/dbraw/zinc/82/27/83/970822783.db2.gz VFQWXISLCDDRRX-UHFFFAOYSA-N -1 0 332.787 3.983 20 0 EHADRM C[C@@H]1CC(NC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C[C@@H](C)C1 ZINC000322193448 970857931 /nfs/dbraw/zinc/85/79/31/970857931.db2.gz QWCHDCIXPIWXGX-IUCAKERBSA-N -1 0 326.343 3.609 20 0 EHADRM CC(C)C(CNC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)C(C)C ZINC000322284297 970868467 /nfs/dbraw/zinc/86/84/67/970868467.db2.gz VTMOVHGCEJBOKN-UHFFFAOYSA-N -1 0 328.359 3.713 20 0 EHADRM CS[C@H](C)CCC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001611083404 970885085 /nfs/dbraw/zinc/88/50/85/970885085.db2.gz LLDGJDWNSSNZTK-CYBMUJFWSA-N -1 0 335.469 3.623 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(C(F)(F)F)cn2)ccc1Cl ZINC000323306603 970987079 /nfs/dbraw/zinc/98/70/79/970987079.db2.gz QSBFLPPXTZVWGU-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](c2nc(Cc3c(F)cccc3Cl)no2)C1 ZINC000323302764 970987313 /nfs/dbraw/zinc/98/73/13/970987313.db2.gz AVTMELIJTUBBSF-NXEZZACHSA-N -1 0 338.766 3.811 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](c2nc(Cc3c(F)cccc3Cl)no2)C1 ZINC000323302767 970987386 /nfs/dbraw/zinc/98/73/86/970987386.db2.gz AVTMELIJTUBBSF-ZJUUUORDSA-N -1 0 338.766 3.811 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC000323833657 971044700 /nfs/dbraw/zinc/04/47/00/971044700.db2.gz IRCNRZVYVXCWIY-UHFFFAOYSA-N -1 0 329.283 3.536 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cccc(F)c2Sc2ccccc2)C1 ZINC001601827916 971058520 /nfs/dbraw/zinc/05/85/20/971058520.db2.gz UIZUTSUBTIQWTH-GFCCVEGCSA-N -1 0 345.395 3.524 20 0 EHADRM CCC1CCC(NC(=O)c2ccc3ccccc3c2)(C(=O)[O-])CC1 ZINC000323948014 971064699 /nfs/dbraw/zinc/06/46/99/971064699.db2.gz MTTMZUXQWXPVKH-UHFFFAOYSA-N -1 0 325.408 3.993 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)Nc1ccc(C(=O)[O-])c(O)c1)c1ccccc1 ZINC000323995269 971071607 /nfs/dbraw/zinc/07/16/07/971071607.db2.gz DDWGFDZPQINQBG-YVEFUNNKSA-N -1 0 327.380 3.859 20 0 EHADRM CC(C)(C)[C@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000324251291 971101289 /nfs/dbraw/zinc/10/12/89/971101289.db2.gz BJBLEUPXZOCAHE-ARFHVFGLSA-N -1 0 335.419 3.920 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)[C@@H](C)C1 ZINC000324273923 971104200 /nfs/dbraw/zinc/10/42/00/971104200.db2.gz OKGSIZXYNVZDST-YWVKMMECSA-N -1 0 326.343 3.609 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2cc(-c3ccccc3)on2)s1 ZINC000324625328 971140624 /nfs/dbraw/zinc/14/06/24/971140624.db2.gz DHINTLASCJTACK-UHFFFAOYSA-N -1 0 342.376 3.916 20 0 EHADRM Cc1ccc(SCCC(=O)NCCc2ccccc2C(=O)[O-])cc1 ZINC000324932792 971171335 /nfs/dbraw/zinc/17/13/35/971171335.db2.gz OBQBYWJOJRJCKI-UHFFFAOYSA-N -1 0 343.448 3.534 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)C1CCC(C3CC3)CC1)COCC2 ZINC001602232935 971176447 /nfs/dbraw/zinc/17/64/47/971176447.db2.gz YDRNQTJUTYAMTL-UHFFFAOYSA-N -1 0 349.452 3.674 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCSc3ccc(F)cc32)cc1 ZINC001602318846 971179210 /nfs/dbraw/zinc/17/92/10/971179210.db2.gz WWLMKCKLIIHJLW-UHFFFAOYSA-N -1 0 331.368 3.667 20 0 EHADRM Cc1oc(CNC(=O)Nc2ccc(C(F)(F)F)cc2)cc1C(=O)[O-] ZINC000325140099 971189950 /nfs/dbraw/zinc/18/99/50/971189950.db2.gz YVTGHPYEQXCINY-UHFFFAOYSA-N -1 0 342.273 3.627 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCc2cccc(C(F)(F)F)c2)cc1 ZINC000325124915 971187773 /nfs/dbraw/zinc/18/77/73/971187773.db2.gz BCIFUDPGICDQTP-UHFFFAOYSA-N -1 0 338.285 3.725 20 0 EHADRM Cc1ccccc1[C@@H](C)NC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000325422922 971214643 /nfs/dbraw/zinc/21/46/43/971214643.db2.gz IRRCIBDRXFFVNR-HUUCEWRRSA-N -1 0 332.444 3.588 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)NC2(CC(=O)[O-])CCCC2)c1 ZINC000325704378 971237266 /nfs/dbraw/zinc/23/72/66/971237266.db2.gz QYRBIYBCWWEQOP-ZDUSSCGKSA-N -1 0 334.416 3.773 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)CCSc2ccccc2)c2ccccc21 ZINC000325895621 971252555 /nfs/dbraw/zinc/25/25/55/971252555.db2.gz UYSUINYTXKVONP-INIZCTEOSA-N -1 0 341.432 3.774 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc3ncsc3c2)c2ccccc21 ZINC000325900899 971252636 /nfs/dbraw/zinc/25/26/36/971252636.db2.gz WUIQWADRUKWJSO-CYBMUJFWSA-N -1 0 338.388 3.515 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)/C=C/c1ccc(Cl)cc1)C2 ZINC000326003551 971261126 /nfs/dbraw/zinc/26/11/26/971261126.db2.gz JMAZSZFDXJWROJ-RMKNXTFCSA-N -1 0 341.794 3.636 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OCc1ccc(C#N)cc1Cl ZINC000326075495 971264335 /nfs/dbraw/zinc/26/43/35/971264335.db2.gz WUCCNEJBTCHXGT-DAXSKMNVSA-N -1 0 343.766 3.897 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cc(Cl)nc3ccccc32)CCCCC1 ZINC000326367576 971286021 /nfs/dbraw/zinc/28/60/21/971286021.db2.gz IQPXKWVBEXBVRF-UHFFFAOYSA-N -1 0 346.814 3.796 20 0 EHADRM Cc1cc(C)cc(N(C)C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)c1 ZINC000326578008 971304916 /nfs/dbraw/zinc/30/49/16/971304916.db2.gz HWDJJKOBOVTYDX-UHFFFAOYSA-N -1 0 334.322 3.948 20 0 EHADRM COc1cc(NC(=O)CCSc2ccccc2F)ccc1C(=O)[O-] ZINC000326889726 971340998 /nfs/dbraw/zinc/34/09/98/971340998.db2.gz FXCIAVISGRFGDZ-UHFFFAOYSA-N -1 0 349.383 3.653 20 0 EHADRM Cc1cccc(C2(C(=O)N(C)Cc3ccc(C(=O)[O-])cc3)CCC2)c1 ZINC000327021027 971357735 /nfs/dbraw/zinc/35/77/35/971357735.db2.gz DOHQLVOYVSYVHA-UHFFFAOYSA-N -1 0 337.419 3.774 20 0 EHADRM CCc1cccc(C)c1NC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000327134638 971369683 /nfs/dbraw/zinc/36/96/83/971369683.db2.gz MFEXGJJANGDRHG-UHFFFAOYSA-N -1 0 338.407 3.846 20 0 EHADRM O=C([O-])c1nn(-c2ccccc2)cc1OCc1ccc2c(c1)CCC2 ZINC000327246033 971379243 /nfs/dbraw/zinc/37/92/43/971379243.db2.gz XJHJAHJJVMJFAC-UHFFFAOYSA-N -1 0 334.375 3.638 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OCc1cccc2cccnc21 ZINC000327288017 971384021 /nfs/dbraw/zinc/38/40/21/971384021.db2.gz LRBCMVDYKGKOCC-NTMALXAHSA-N -1 0 335.359 3.920 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000327391833 971395225 /nfs/dbraw/zinc/39/52/25/971395225.db2.gz YJJZCIFPZHANFB-ZDUSSCGKSA-N -1 0 342.395 3.884 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000327517091 971405462 /nfs/dbraw/zinc/40/54/62/971405462.db2.gz QGGGZIDUCQINOO-AWEZNQCLSA-N -1 0 349.308 3.924 20 0 EHADRM CCC(CC)(CNC(=O)N1CCC(Cc2ccccc2)CC1)C(=O)[O-] ZINC000327511371 971405847 /nfs/dbraw/zinc/40/58/47/971405847.db2.gz PEUHLNUEQXKAAL-UHFFFAOYSA-N -1 0 346.471 3.542 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000327638920 971413929 /nfs/dbraw/zinc/41/39/29/971413929.db2.gz SFWHKLUCWJBAOM-QGZVFWFLSA-N -1 0 340.423 3.974 20 0 EHADRM Cc1ccc(C)c(OCCC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)c1 ZINC000327741437 971422982 /nfs/dbraw/zinc/42/29/82/971422982.db2.gz KHVXXOREAGBNHS-UHFFFAOYSA-N -1 0 349.333 3.687 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)N[C@@H]2CCCCC23CCCC3)cc1 ZINC000327800891 971426437 /nfs/dbraw/zinc/42/64/37/971426437.db2.gz FSERWRSJEFBXHU-MRXNPFEDSA-N -1 0 346.427 3.775 20 0 EHADRM CC(C)COc1ccc(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])cc1 ZINC000328105174 971446053 /nfs/dbraw/zinc/44/60/53/971446053.db2.gz XIEFXAITBMFEOH-SFHVURJKSA-N -1 0 347.455 3.875 20 0 EHADRM O=C([O-])c1csc(COc2ccc(C(=O)c3ccccc3)cc2)n1 ZINC000328364960 971466148 /nfs/dbraw/zinc/46/61/48/971466148.db2.gz CFTWKDCJERFXJH-UHFFFAOYSA-N -1 0 339.372 3.651 20 0 EHADRM Cn1c(SCc2ccc(C(=O)[O-])cc2)nnc1-c1cccs1 ZINC000013272406 948780447 /nfs/dbraw/zinc/78/04/47/948780447.db2.gz AXKHXZDCMHHZNL-UHFFFAOYSA-N -1 0 331.422 3.534 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC001589562081 948828267 /nfs/dbraw/zinc/82/82/67/948828267.db2.gz PBJJQBNZQXDHAF-ZDUSSCGKSA-N -1 0 327.380 3.606 20 0 EHADRM CC[C@H](NC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)C1CCCC1 ZINC001589565050 948853445 /nfs/dbraw/zinc/85/34/45/948853445.db2.gz YZQFGIMNGZNRRK-IKGGRYGDSA-N -1 0 330.428 3.568 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000339350102 971516622 /nfs/dbraw/zinc/51/66/22/971516622.db2.gz XMPPLFPBMRPMSI-ZIBATOQPSA-N -1 0 345.361 3.815 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(OCc3ccccn3)cc2)cc1 ZINC000346999877 971520718 /nfs/dbraw/zinc/52/07/18/971520718.db2.gz SPYJNFJVIQXYSM-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM COCc1c2ccccc2oc1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000346017650 971521071 /nfs/dbraw/zinc/52/10/71/971521071.db2.gz PQPQMCQJFVQBHA-UHFFFAOYSA-N -1 0 343.310 3.669 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N1CCc2c1cccc2Cl ZINC000347349549 971523811 /nfs/dbraw/zinc/52/38/11/971523811.db2.gz QNHUFWUQLUDRFB-UHFFFAOYSA-N -1 0 329.783 3.560 20 0 EHADRM CC[C@@H](NC(=O)Cc1cccc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC000347395551 971524656 /nfs/dbraw/zinc/52/46/56/971524656.db2.gz ZKSFTUGENFZQBJ-MRXNPFEDSA-N -1 0 331.799 3.848 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])o1)c1cc(Cl)ccc1Cl ZINC000347392238 971524833 /nfs/dbraw/zinc/52/48/33/971524833.db2.gz SXLKAMRNIZREAF-SSDOTTSWSA-N -1 0 328.151 3.776 20 0 EHADRM COc1ccc2ccccc2c1CNC(=O)c1ccc(C(=O)[O-])s1 ZINC000352719271 971528610 /nfs/dbraw/zinc/52/86/10/971528610.db2.gz GMCQUELXJLUTRZ-UHFFFAOYSA-N -1 0 341.388 3.538 20 0 EHADRM COc1ccc(SCCC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000351513803 971528772 /nfs/dbraw/zinc/52/87/72/971528772.db2.gz URSYFXFUNVMULI-UHFFFAOYSA-N -1 0 331.393 3.514 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)cc1 ZINC000354171081 971530039 /nfs/dbraw/zinc/53/00/39/971530039.db2.gz FHKNAUOVRZHPDS-JKSUJKDBSA-N -1 0 345.782 3.546 20 0 EHADRM CC(C)n1cc2cc(NC(=O)c3ccc(C(=O)[O-])cc3F)ccc2n1 ZINC000358589204 971531701 /nfs/dbraw/zinc/53/17/01/971531701.db2.gz MKGDNLLPYSNQPW-UHFFFAOYSA-N -1 0 341.342 3.707 20 0 EHADRM Cc1[nH]c2ccc(CNC(=O)CC3(CC(=O)[O-])CCCC3)cc2c1C ZINC000358855898 971532637 /nfs/dbraw/zinc/53/26/37/971532637.db2.gz PQRWMLADOMFPKI-UHFFFAOYSA-N -1 0 342.439 3.826 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2cccc(-c3ccoc3)c2)Cc2ccccc21 ZINC000372963346 971558538 /nfs/dbraw/zinc/55/85/38/971558538.db2.gz YKJKAUJPPASVNB-LJQANCHMSA-N -1 0 347.370 3.771 20 0 EHADRM C[C@@H](C(=O)Nc1scc(-c2ccsc2)c1C(=O)[O-])n1cccn1 ZINC001602795823 971558609 /nfs/dbraw/zinc/55/86/09/971558609.db2.gz PGBNMCYZIROWRA-VIFPVBQESA-N -1 0 347.421 3.571 20 0 EHADRM C[C@H](c1ccccc1)c1ccc(Oc2ccnc(-c3nnn[n-]3)n2)cc1 ZINC001575515311 949185694 /nfs/dbraw/zinc/18/56/94/949185694.db2.gz HPJKQACQHYQISP-CYBMUJFWSA-N -1 0 344.378 3.601 20 0 EHADRM C[C@@H](C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1)c1ccccc1 ZINC000375597284 971562843 /nfs/dbraw/zinc/56/28/43/971562843.db2.gz MIXWQMPEQHFIBS-CYBMUJFWSA-N -1 0 348.402 3.555 20 0 EHADRM CC[C@@]1(C)Oc2ccc(NC(=O)c3cccc(C(=O)[O-])c3)cc2O1 ZINC001589610720 949317621 /nfs/dbraw/zinc/31/76/21/949317621.db2.gz KJYSRPLGADUARJ-SFHVURJKSA-N -1 0 327.336 3.535 20 0 EHADRM O=C([O-])c1ccc(CN2CCN(CC3CC3)c3ccccc32)s1 ZINC001595227506 949322096 /nfs/dbraw/zinc/32/20/96/949322096.db2.gz QZMBUVXTZGVVBI-UHFFFAOYSA-N -1 0 328.437 3.683 20 0 EHADRM CC[C@@]1(C)Oc2ccc(NC(=O)c3coc(/C=C\C(=O)[O-])c3)cc2O1 ZINC001589611083 949322386 /nfs/dbraw/zinc/32/23/86/949322386.db2.gz VGUVLZUAYCZCMT-YEODSOHDSA-N -1 0 343.335 3.527 20 0 EHADRM CC[C@]1(C)Oc2ccc(NC(=O)C3(C(=O)[O-])CCCCC3)cc2O1 ZINC001589610984 949324021 /nfs/dbraw/zinc/32/40/21/949324021.db2.gz RSXFMJWAJIYNPL-QGZVFWFLSA-N -1 0 333.384 3.558 20 0 EHADRM CCC1=C(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)CCCO1 ZINC001589618694 949383963 /nfs/dbraw/zinc/38/39/63/949383963.db2.gz BRKOQPIGFCYMPE-UHFFFAOYSA-N -1 0 343.423 3.565 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1N(C)C(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001589620960 949409503 /nfs/dbraw/zinc/40/95/03/949409503.db2.gz DPYRDULHUAXJFT-XHSDSOJGSA-N -1 0 326.481 3.734 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC001589621639 949419769 /nfs/dbraw/zinc/41/97/69/949419769.db2.gz MQZRSMADCVTFCN-HFTRVMKXSA-N -1 0 345.439 3.577 20 0 EHADRM CC[C@H]1CCc2nc(NC(=O)c3cccc(C(=O)[O-])c3)sc2C1 ZINC001589624352 949455762 /nfs/dbraw/zinc/45/57/62/949455762.db2.gz GXUDGFVBPSNZPE-JTQLQIEISA-N -1 0 330.409 3.609 20 0 EHADRM CCCCCCN(Cc1ccc(C)o1)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001589645851 949735132 /nfs/dbraw/zinc/73/51/32/949735132.db2.gz VFTDMMMDEZAWAU-SHTZXODSSA-N -1 0 336.432 3.543 20 0 EHADRM CCCCOc1ccc(C(=O)N2CCC[C@]2(C)C(=O)[O-])c(Cl)c1 ZINC001589654263 949800998 /nfs/dbraw/zinc/80/09/98/949800998.db2.gz OADHYZXDEMGLCC-QGZVFWFLSA-N -1 0 339.819 3.598 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN1Cc1cc(Br)ccc1Cl ZINC000235425192 949862585 /nfs/dbraw/zinc/86/25/85/949862585.db2.gz BLNFCTSPTSSWPP-ZDUSSCGKSA-N -1 0 332.625 3.542 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)[C@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC001595274108 949887704 /nfs/dbraw/zinc/88/77/04/949887704.db2.gz TVBKFOWQGQFKML-PWSUYJOCSA-N -1 0 348.761 3.705 20 0 EHADRM CCSCc1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000236860984 949939280 /nfs/dbraw/zinc/93/92/80/949939280.db2.gz JBRNYUHLKXYRHU-CQSZACIVSA-N -1 0 335.469 3.657 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC000237480365 949964385 /nfs/dbraw/zinc/96/43/85/949964385.db2.gz JYJSYUAYINPFRL-VIFPVBQESA-N -1 0 346.433 3.618 20 0 EHADRM Cc1ccc(OCCC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c(C)c1 ZINC000237709923 949973192 /nfs/dbraw/zinc/97/31/92/949973192.db2.gz KQTNSVPHFQICKX-UHFFFAOYSA-N -1 0 327.380 3.718 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(CCc2ccccc2)c2ccccc2)cn1 ZINC000237967605 949983146 /nfs/dbraw/zinc/98/31/46/949983146.db2.gz SGBQKBJAFHYDNE-UHFFFAOYSA-N -1 0 346.386 3.669 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000237993891 949985643 /nfs/dbraw/zinc/98/56/43/949985643.db2.gz MTHZQFLPFQYZJL-CYBMUJFWSA-N -1 0 334.803 3.681 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(OCC(F)(F)F)c2)cc1 ZINC000238059143 949991768 /nfs/dbraw/zinc/99/17/68/949991768.db2.gz QNIHAGVMJIWTEZ-UHFFFAOYSA-N -1 0 339.269 3.578 20 0 EHADRM CCCNc1ccc(CNC(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC001589677174 950010404 /nfs/dbraw/zinc/01/04/04/950010404.db2.gz BMKRHMOAPNVESY-UHFFFAOYSA-N -1 0 327.384 3.528 20 0 EHADRM CCCOc1ccc(COC(=O)c2coc(/C=C/C(=O)[O-])c2)cc1 ZINC001589681432 950052114 /nfs/dbraw/zinc/05/21/14/950052114.db2.gz OHQALWKBGURIKW-BQYQJAHWSA-N -1 0 330.336 3.523 20 0 EHADRM CCCc1nc(C)c(C(=O)N2CCCc3cc(C(=O)[O-])ccc32)s1 ZINC001589691384 950114698 /nfs/dbraw/zinc/11/46/98/950114698.db2.gz JRBUMVLPAUDVQS-UHFFFAOYSA-N -1 0 344.436 3.695 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000262403040 950120774 /nfs/dbraw/zinc/12/07/74/950120774.db2.gz OBCDAOQYUFWVIP-CYBMUJFWSA-N -1 0 329.371 3.660 20 0 EHADRM CCCc1ccc(CCCC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1 ZINC001589691721 950124753 /nfs/dbraw/zinc/12/47/53/950124753.db2.gz UGMWIWSMNCUXQQ-YJBOKZPZSA-N -1 0 331.456 3.674 20 0 EHADRM CCCn1ncc(NC(=O)Nc2cccc(C(=O)[O-])c2)c1C1CC1 ZINC001589697430 950183592 /nfs/dbraw/zinc/18/35/92/950183592.db2.gz TVRIYCQBKMQJCK-UHFFFAOYSA-N -1 0 328.372 3.513 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)c1 ZINC000263081249 950249708 /nfs/dbraw/zinc/24/97/08/950249708.db2.gz HSWPCVWDLVEPJP-LSDHHAIUSA-N -1 0 348.443 3.686 20 0 EHADRM CCN(C(=O)Nc1cccc(-c2ccccc2OC)c1)[C@@H](C)C(=O)[O-] ZINC001589707585 950312770 /nfs/dbraw/zinc/31/27/70/950312770.db2.gz XGAKZQUIEJOFQG-ZDUSSCGKSA-N -1 0 342.395 3.689 20 0 EHADRM CCOc1cccc2cc([C@H](C)NC(=O)CCCCC(=O)[O-])oc21 ZINC000263230905 950336555 /nfs/dbraw/zinc/33/65/55/950336555.db2.gz AVTBKSVKDIOWCP-LBPRGKRZSA-N -1 0 333.384 3.654 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000263249215 950339325 /nfs/dbraw/zinc/33/93/25/950339325.db2.gz SOQRWGADNUIETI-RISCZKNCSA-N -1 0 343.345 3.507 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263302525 950356580 /nfs/dbraw/zinc/35/65/80/950356580.db2.gz GTOHFZUCHXQPHN-IACUBPJLSA-N -1 0 344.411 3.554 20 0 EHADRM CC(C)(CNC(=O)CCCCC(=O)[O-])c1ccc(F)cc1Cl ZINC000263348435 950390676 /nfs/dbraw/zinc/39/06/76/950390676.db2.gz ZXQOPTJHBPQQTN-UHFFFAOYSA-N -1 0 329.799 3.518 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC[C@H]1C(=O)[O-] ZINC000319026494 950945449 /nfs/dbraw/zinc/94/54/49/950945449.db2.gz RRDJBFBYNCULAF-VXNVDRBHSA-N -1 0 349.189 3.707 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)[C@H](c1ccncc1)C1CCCCC1 ZINC001594984538 951010277 /nfs/dbraw/zinc/01/02/77/951010277.db2.gz HMEOJZUJQCYDPZ-MJGOQNOKSA-N -1 0 344.455 3.601 20 0 EHADRM Cc1ccc(-n2c(SCC(=O)[O-])nnc2-c2ccccc2)cc1C ZINC000324033489 951058913 /nfs/dbraw/zinc/05/89/13/951058913.db2.gz PJMYWCDYCIBDPN-UHFFFAOYSA-N -1 0 339.420 3.728 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)/C=C\c2ccc(Cl)cc2)Cc2ccccc21 ZINC000325651853 951088941 /nfs/dbraw/zinc/08/89/41/951088941.db2.gz YQVXFWAVDIKAMO-CGQZWFTASA-N -1 0 341.794 3.564 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)c1cc2c(s1)-c1ccccc1CC2)C1CC1 ZINC000362474236 951135023 /nfs/dbraw/zinc/13/50/23/951135023.db2.gz RPTYQWPZLZRNOP-LLVKDONJSA-N -1 0 341.432 3.591 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3CCC(C)(C(=O)[O-])CC3)s2)o1 ZINC000364680437 951139420 /nfs/dbraw/zinc/13/94/20/951139420.db2.gz YIKRPHSUTJBXEQ-UHFFFAOYSA-N -1 0 333.409 3.643 20 0 EHADRM O=C([O-])CCCC(=O)Nc1nc(-c2ccc(Cl)s2)cs1 ZINC001595028683 951361270 /nfs/dbraw/zinc/36/12/70/951361270.db2.gz JBXNGWLDSRXCPH-UHFFFAOYSA-N -1 0 330.818 3.718 20 0 EHADRM CCOc1cccc(/C=C\C(=O)OCc2ccc(C(=O)[O-])cc2)c1 ZINC001592863358 951376837 /nfs/dbraw/zinc/37/68/37/951376837.db2.gz XUXGLQMRYQLTQU-FLIBITNWSA-N -1 0 326.348 3.540 20 0 EHADRM O=C([O-])CCCCCNC(=O)N1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC001595035598 951402422 /nfs/dbraw/zinc/40/24/22/951402422.db2.gz OGFKVBPKEVJTRD-GOSISDBHSA-N -1 0 342.439 3.734 20 0 EHADRM CCOc1ccccc1NC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001593063750 951403878 /nfs/dbraw/zinc/40/38/78/951403878.db2.gz TYWIGWBCNVQEPT-HOCLYGCPSA-N -1 0 340.379 3.520 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000392055842 951411498 /nfs/dbraw/zinc/41/14/98/951411498.db2.gz DWRJHJRRNSDRKF-NSHDSACASA-N -1 0 344.333 3.732 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000397110299 951526753 /nfs/dbraw/zinc/52/67/53/951526753.db2.gz REHQHAODTWMRBA-DTWKUNHWSA-N -1 0 348.296 3.562 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)N[C@@H](CF)c2ccc(F)cc2)c1 ZINC001595066013 951545171 /nfs/dbraw/zinc/54/51/71/951545171.db2.gz ABTGUCLDZILBHJ-INIZCTEOSA-N -1 0 348.349 3.675 20 0 EHADRM O=C([O-])CCc1cccc(Nc2cc(Cl)nc([C@@H]3CCCO3)n2)c1 ZINC001595066436 951551957 /nfs/dbraw/zinc/55/19/57/951551957.db2.gz KQPJTMWUSCEJEQ-ZDUSSCGKSA-N -1 0 347.802 3.742 20 0 EHADRM COc1cccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)c1F ZINC000397436175 951556338 /nfs/dbraw/zinc/55/63/38/951556338.db2.gz NVJYENRJMXHOBT-UHFFFAOYSA-N -1 0 349.383 3.725 20 0 EHADRM O=C([O-])CCc1cccc(NCc2cc(-n3ccnc3)cs2)c1 ZINC001595066880 951558652 /nfs/dbraw/zinc/55/86/52/951558652.db2.gz ZZRZJOOCIFZTTJ-UHFFFAOYSA-N -1 0 327.409 3.563 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2ccoc2C(F)(F)F)c1 ZINC001595066845 951558846 /nfs/dbraw/zinc/55/88/46/951558846.db2.gz YJEOZTTWFGKTKJ-UHFFFAOYSA-N -1 0 327.258 3.568 20 0 EHADRM CCOc1cc(C#N)ccc1OCc1cccc(C(=O)[O-])c1Cl ZINC000381491423 971761415 /nfs/dbraw/zinc/76/14/15/971761415.db2.gz HMQXEBTUBKYJAB-UHFFFAOYSA-N -1 0 331.755 3.888 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)NC[C@@H]2CC3CCC2CC3)c1 ZINC000400090274 951644466 /nfs/dbraw/zinc/64/44/66/951644466.db2.gz BCSNGGCPKQZAPW-GPANFISMSA-N -1 0 330.428 3.652 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)O[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC001595180684 952250974 /nfs/dbraw/zinc/25/09/74/952250974.db2.gz QXKFYFIDMVHYRZ-GMTAPVOTSA-N -1 0 336.693 3.597 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc(-c3cccs3)s2)C[C@H]1C1CC1 ZINC001595187105 952271569 /nfs/dbraw/zinc/27/15/69/952271569.db2.gz QUZUDOSEIUTKDK-NWDGAFQWSA-N -1 0 347.461 3.659 20 0 EHADRM CC1=C(C)CN(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])CC1 ZINC000382970095 971842858 /nfs/dbraw/zinc/84/28/58/971842858.db2.gz HPPULLVGVDYRNX-UHFFFAOYSA-N -1 0 342.317 3.978 20 0 EHADRM CCSc1ccc(CC(=O)NC2(C(=O)[O-])CCCCCC2)cc1 ZINC001593597593 953380692 /nfs/dbraw/zinc/38/06/92/953380692.db2.gz MSMGMGGWYFIKPC-UHFFFAOYSA-N -1 0 335.469 3.635 20 0 EHADRM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000417755988 953417139 /nfs/dbraw/zinc/41/71/39/953417139.db2.gz CPMLSFDLLFFBNJ-CABCVRRESA-N -1 0 347.459 3.558 20 0 EHADRM CC1(C)CCCc2sc(NC(=O)NCCCCCC(=O)[O-])nc21 ZINC000417778715 953418304 /nfs/dbraw/zinc/41/83/04/953418304.db2.gz TZSYYLLRENNPSE-UHFFFAOYSA-N -1 0 339.461 3.524 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000424405631 953471034 /nfs/dbraw/zinc/47/10/34/953471034.db2.gz PBOXNHDXVFGPMK-NSHDSACASA-N -1 0 346.880 3.680 20 0 EHADRM C[C@@H]1CCCN(Cc2ccc(Sc3ccccn3)o2)[C@@H]1C(=O)[O-] ZINC000424424369 953481966 /nfs/dbraw/zinc/48/19/66/953481966.db2.gz WIMDRKVHVOLZOZ-WBMJQRKESA-N -1 0 332.425 3.511 20 0 EHADRM CN(CCC(=O)[O-])C(=O)[C@@H](Sc1ccccc1F)c1ccccc1 ZINC000428046709 953498192 /nfs/dbraw/zinc/49/81/92/953498192.db2.gz BNHWMXGBSSTCGO-KRWDZBQOSA-N -1 0 347.411 3.592 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000449138058 953511902 /nfs/dbraw/zinc/51/19/02/953511902.db2.gz ZSUZJWRAYYXTQZ-GFCCVEGCSA-N -1 0 331.334 3.715 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000507401424 953534971 /nfs/dbraw/zinc/53/49/71/953534971.db2.gz JEZMBUQDOBBGPR-HZPDHXFCSA-N -1 0 329.327 3.667 20 0 EHADRM CC[C@@H](C)Oc1ccc(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000519118776 953548024 /nfs/dbraw/zinc/54/80/24/953548024.db2.gz AVVJGLRGPGSIEL-ZIAGYGMSSA-N -1 0 334.416 3.583 20 0 EHADRM C[C@@H]1C[C@@H](CCNC(=O)c2cccc(OCC(=O)[O-])c2)CC(C)(C)C1 ZINC001589285641 953566326 /nfs/dbraw/zinc/56/63/26/953566326.db2.gz BKOBUZBSHBLNOB-HUUCEWRRSA-N -1 0 347.455 3.732 20 0 EHADRM CCc1cc(Cl)cnc1NC(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1 ZINC001593632567 953585000 /nfs/dbraw/zinc/58/50/00/953585000.db2.gz BJNQKASABXTLNW-CQSZACIVSA-N -1 0 347.802 3.553 20 0 EHADRM CCc1ccc(-c2csc(NC(=O)[C@H](C(=O)[O-])C(C)C)n2)s1 ZINC001593633808 953597310 /nfs/dbraw/zinc/59/73/10/953597310.db2.gz PYGIKASAGOHRAZ-GFCCVEGCSA-N -1 0 338.454 3.729 20 0 EHADRM CC[C@@H](Nc1ccccc1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000564969227 953607731 /nfs/dbraw/zinc/60/77/31/953607731.db2.gz VHXCGJOFFXJAAK-QGZVFWFLSA-N -1 0 326.396 3.533 20 0 EHADRM CCc1ccc([C@@H](NC(=O)NC[C@@H](C(=O)[O-])C(C)C)C(C)C)cc1 ZINC001593636328 953611355 /nfs/dbraw/zinc/61/13/55/953611355.db2.gz CRKSJDCWMGIXHZ-SJORKVTESA-N -1 0 334.460 3.602 20 0 EHADRM CCc1ccc([C@H](NC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)C(C)C)cc1 ZINC001593636700 953612629 /nfs/dbraw/zinc/61/26/29/953612629.db2.gz JKZOCWXMCDFBOY-BMGDILEWSA-N -1 0 346.471 3.698 20 0 EHADRM CCc1ccc(OC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)c(C(C)(C)C)c1 ZINC001593638725 953630974 /nfs/dbraw/zinc/63/09/74/953630974.db2.gz DSSLKRPIPCXNEB-GJZGRUSLSA-N -1 0 348.439 3.722 20 0 EHADRM CCc1ccc2c(c1)[C@H](OC(=O)Cc1ccccc1C(=O)[O-])CCO2 ZINC001593640003 953635706 /nfs/dbraw/zinc/63/57/06/953635706.db2.gz GOQLDDXXTUKETR-GOSISDBHSA-N -1 0 340.375 3.557 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001589295037 953638996 /nfs/dbraw/zinc/63/89/96/953638996.db2.gz NVHSHLTZKGSNRW-XJKCOSOUSA-N -1 0 339.395 3.578 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC001589298018 953661758 /nfs/dbraw/zinc/66/17/58/953661758.db2.gz DFEPXEYKMGDJDF-AKIZESGZSA-N -1 0 329.440 3.709 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)N(C)c1ccc(OCc2ccccc2)cc1 ZINC001602961068 971949820 /nfs/dbraw/zinc/94/98/20/971949820.db2.gz NMGOFNANYFZAII-SFHVURJKSA-N -1 0 341.407 3.585 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1SCc1ccco1 ZINC001594789995 953689808 /nfs/dbraw/zinc/68/98/08/953689808.db2.gz YSSFBZDHUFAVBM-HIFRSBDPSA-N -1 0 345.420 3.555 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000578132132 953700009 /nfs/dbraw/zinc/70/00/09/953700009.db2.gz PDNZNAFTZNWPTH-RNCFNFMXSA-N -1 0 335.787 3.577 20 0 EHADRM CCc1nc2ccc(NC(=O)NCCCCCC(=O)[O-])cc2s1 ZINC001593651236 953709172 /nfs/dbraw/zinc/70/91/72/953709172.db2.gz NTETYYRFIOFCIS-UHFFFAOYSA-N -1 0 335.429 3.625 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1cccc(F)c1C(C)(F)F ZINC001589306601 953747824 /nfs/dbraw/zinc/74/78/24/953747824.db2.gz VAXWIVMPLMHOEG-VHSXEESVSA-N -1 0 344.333 3.654 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)Nc1ccccc1OCC(F)F ZINC001594809946 953805363 /nfs/dbraw/zinc/80/53/63/953805363.db2.gz FUWWZWAONXQTHV-UHFFFAOYSA-N -1 0 336.294 3.673 20 0 EHADRM CCn1cc(CC(=O)Nc2sccc2C(=O)[O-])c2ccccc21 ZINC001593665633 953839390 /nfs/dbraw/zinc/83/93/90/953839390.db2.gz SNWYQSQCMLGTQV-UHFFFAOYSA-N -1 0 328.393 3.602 20 0 EHADRM Cc1ccccc1CO[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000630140726 953840492 /nfs/dbraw/zinc/84/04/92/953840492.db2.gz WRIUFLPPXLGWPM-AWEZNQCLSA-N -1 0 327.380 3.545 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CCNC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001589319512 953845191 /nfs/dbraw/zinc/84/51/91/953845191.db2.gz MHKQWPMSPXCHCV-RKVPGOIHSA-N -1 0 344.455 3.596 20 0 EHADRM CC(C)[C@H]1CN(C(=O)c2ccc(OCC(=O)[O-])cc2)c2ccccc21 ZINC000630293837 953850722 /nfs/dbraw/zinc/85/07/22/953850722.db2.gz BKFXAHYOKOOZGN-QGZVFWFLSA-N -1 0 339.391 3.550 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])cn1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000630294854 953850812 /nfs/dbraw/zinc/85/08/12/953850812.db2.gz ONSLMAYETXBZGC-SJLPKXTDSA-N -1 0 338.407 3.578 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001589320180 953854975 /nfs/dbraw/zinc/85/49/75/953854975.db2.gz WRQJEYMUVVOLTQ-GHMZBOCLSA-N -1 0 337.441 3.674 20 0 EHADRM O=C([O-])c1c(NC(=O)c2cccc(-c3ccoc3)c2)nc2ccccn21 ZINC001594818574 953890022 /nfs/dbraw/zinc/89/00/22/953890022.db2.gz UZNYIRCGJDMUQR-UHFFFAOYSA-N -1 0 347.330 3.545 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)c1scnc1Cl)CCCC2 ZINC001594821429 953902461 /nfs/dbraw/zinc/90/24/61/953902461.db2.gz FSEUCOIFXIXQJS-UHFFFAOYSA-N -1 0 342.829 3.687 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000646143946 953923554 /nfs/dbraw/zinc/92/35/54/953923554.db2.gz HGLCAYGWTNSZAC-ZDUSSCGKSA-N -1 0 344.411 3.699 20 0 EHADRM CN(C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)C1CCCCCC1 ZINC001593677281 953940928 /nfs/dbraw/zinc/94/09/28/953940928.db2.gz BOZJRWCSNMVCAG-DLBZAZTESA-N -1 0 330.428 3.664 20 0 EHADRM C[C@@H]1CCc2c(sc3ncnc(N4CCC(C)(C(=O)[O-])CC4)c32)C1 ZINC000647458060 953960100 /nfs/dbraw/zinc/96/01/00/953960100.db2.gz PNJLNSMLBLPXLQ-LLVKDONJSA-N -1 0 345.468 3.507 20 0 EHADRM CN(C(=O)[C@H]1CC[C@H]1C(=O)[O-])[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC001593683047 953975185 /nfs/dbraw/zinc/97/51/85/953975185.db2.gz SYPJUZWSPCOWJZ-TUAOUCFPSA-N -1 0 349.736 3.513 20 0 EHADRM CC[C@@H](CNC(=O)c1cc(C)c(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC000649263944 953992382 /nfs/dbraw/zinc/99/23/82/953992382.db2.gz NVKZSYMSBSRZHS-NSHDSACASA-N -1 0 335.400 3.703 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000649364414 953993850 /nfs/dbraw/zinc/99/38/50/953993850.db2.gz YMLBNWBVBHJTTH-CQSZACIVSA-N -1 0 328.412 3.502 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1cc(Cl)ccc1Br ZINC000650794937 954031863 /nfs/dbraw/zinc/03/18/63/954031863.db2.gz LHTVXXWKTWQXMF-PRHODGIISA-N -1 0 332.625 3.540 20 0 EHADRM C[C@H](C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000652056892 954033686 /nfs/dbraw/zinc/03/36/86/954033686.db2.gz LVLLKTLFSCWTQK-SJCJKPOMSA-N -1 0 343.810 3.654 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1ccc2ccnc(Cl)c2c1)C1CCCC1 ZINC001594838043 954044590 /nfs/dbraw/zinc/04/45/90/954044590.db2.gz SDJUBJOAYJDTPS-AWEZNQCLSA-N -1 0 332.787 3.718 20 0 EHADRM CC(C)[C@H](CCc1ccccc1)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001602974623 971984018 /nfs/dbraw/zinc/98/40/18/971984018.db2.gz LLJRAOZUWPMUSY-KRWDZBQOSA-N -1 0 331.456 3.605 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)C2(c3ccccc3)CCC2)c2ccccc21 ZINC000653335851 954168679 /nfs/dbraw/zinc/16/86/79/954168679.db2.gz XWTUIXZAQFMVNL-QZTJIDSGSA-N -1 0 335.403 3.538 20 0 EHADRM CC(=O)c1cc(NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])ccc1C ZINC000653488290 954179097 /nfs/dbraw/zinc/17/90/97/954179097.db2.gz LYNUJBGKVOSUKW-OAHLLOKOSA-N -1 0 334.416 3.599 20 0 EHADRM CN(C)c1ccc(F)cc1NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001593711087 954187402 /nfs/dbraw/zinc/18/74/02/954187402.db2.gz QTJYTAMRQMKRRX-UHFFFAOYSA-N -1 0 345.374 3.553 20 0 EHADRM C[C@H]1CCc2nc(NC(=O)Nc3cccc(CC(=O)[O-])c3)sc2C1 ZINC001589365666 954189454 /nfs/dbraw/zinc/18/94/54/954189454.db2.gz UXROWUJKLVDTCG-JTQLQIEISA-N -1 0 345.424 3.539 20 0 EHADRM CC(C)[C@H](CNC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000655568709 954207419 /nfs/dbraw/zinc/20/74/19/954207419.db2.gz QSWZOXQFOLMWEE-RISCZKNCSA-N -1 0 345.361 3.672 20 0 EHADRM Cc1cccc2c(C(=O)N[C@@H](C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)coc21 ZINC000655575159 954213319 /nfs/dbraw/zinc/21/33/19/954213319.db2.gz HBBXRKWWJBADBG-TUKIKUTGSA-N -1 0 329.396 3.606 20 0 EHADRM O=C([O-])[C@]1(C(=O)NCC2(Cc3cccc(Cl)c3)CC2)CC=CCC1 ZINC001594856123 954235341 /nfs/dbraw/zinc/23/53/41/954235341.db2.gz IVNBMICMPKUTJD-LJQANCHMSA-N -1 0 347.842 3.590 20 0 EHADRM C[C@@H](CNC(=O)N[C@@H](C)c1ccccc1Oc1ccccc1)C(=O)[O-] ZINC000655867484 954254187 /nfs/dbraw/zinc/25/41/87/954254187.db2.gz XAOBOBSBEPETQZ-KBPBESRZSA-N -1 0 342.395 3.560 20 0 EHADRM C[C@H](c1ccccc1)[C@H](C)NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655868733 954256248 /nfs/dbraw/zinc/25/62/48/954256248.db2.gz GRYHYSGRDBMFAG-CUINURIISA-N -1 0 346.471 3.613 20 0 EHADRM CC(C)(C)OC(=O)NCc1ccccc1NCc1ccc(C(=O)[O-])o1 ZINC000385446170 971999498 /nfs/dbraw/zinc/99/94/98/971999498.db2.gz WDJSSNSGSYCMPW-UHFFFAOYSA-N -1 0 346.383 3.615 20 0 EHADRM CN(CC1CCCCC1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001593726807 954282336 /nfs/dbraw/zinc/28/23/36/954282336.db2.gz ZCORASSQAQPJSC-SJORKVTESA-N -1 0 330.428 3.521 20 0 EHADRM C[C@@H](CN(C)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655907528 954290719 /nfs/dbraw/zinc/29/07/19/954290719.db2.gz QJUUMJKBYOJEOF-NXNVCVFFSA-N -1 0 346.471 3.567 20 0 EHADRM CCc1ccc(NC(=O)c2ccccc2Br)c(C(=O)[O-])c1 ZINC000385539344 972002669 /nfs/dbraw/zinc/00/26/69/972002669.db2.gz ILNMIQFFUKKFRN-UHFFFAOYSA-N -1 0 348.196 3.962 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2cccc(Oc3ccncc3)c2)CC=CCC1 ZINC001594877358 954387853 /nfs/dbraw/zinc/38/78/53/954387853.db2.gz GIVVFQCOGHONRV-IBGZPJMESA-N -1 0 338.363 3.624 20 0 EHADRM CC[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000663063328 954434628 /nfs/dbraw/zinc/43/46/28/954434628.db2.gz FMEQAUPIKWUCJT-OAHLLOKOSA-N -1 0 341.407 3.591 20 0 EHADRM Cc1ccc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc1NC(=O)C(C)(C)C ZINC000663066584 954439416 /nfs/dbraw/zinc/43/94/16/954439416.db2.gz KMKVOQJBWRWPBV-CQSZACIVSA-N -1 0 348.443 3.665 20 0 EHADRM O=C([O-])C1(c2noc(CCc3c(Cl)cccc3Cl)n2)CCC1 ZINC001594887397 954477369 /nfs/dbraw/zinc/47/73/69/954477369.db2.gz PLIJWWKGQBCTBV-UHFFFAOYSA-N -1 0 341.194 3.668 20 0 EHADRM C/C=C/COc1cccc(CC(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC001589419713 954586611 /nfs/dbraw/zinc/58/66/11/954586611.db2.gz GLPJYVSGNDPUFB-NSCUHMNNSA-N -1 0 343.354 3.660 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000679397077 954593924 /nfs/dbraw/zinc/59/39/24/954593924.db2.gz QOLJQGWPPGILNB-NEPJUHHUSA-N -1 0 341.860 3.676 20 0 EHADRM COc1cccc2cc(C(=O)Nc3cccc(CCC(=O)[O-])c3)oc21 ZINC000682437317 954601456 /nfs/dbraw/zinc/60/14/56/954601456.db2.gz HLUJMEPNXRNRNV-UHFFFAOYSA-N -1 0 339.347 3.711 20 0 EHADRM CC[C@@H](C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1ccc(OC)cc1 ZINC001589426766 954631708 /nfs/dbraw/zinc/63/17/08/954631708.db2.gz PWRZWWGGWIKEEB-HZPDHXFCSA-N -1 0 335.444 3.585 20 0 EHADRM CC[C@@H](C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1ccc(OC)cc1 ZINC001589426764 954631906 /nfs/dbraw/zinc/63/19/06/954631906.db2.gz PWRZWWGGWIKEEB-CVEARBPZSA-N -1 0 335.444 3.585 20 0 EHADRM CCC(C)(C)c1ccc(COC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)cc1 ZINC001589451521 954802520 /nfs/dbraw/zinc/80/25/20/954802520.db2.gz GUBMSFSJNBTMMX-WBVHZDCISA-N -1 0 348.439 3.687 20 0 EHADRM O=C([O-])[C@@H]1CCN(Cc2cnc(-c3ccccc3)nc2)c2ccccc21 ZINC001594933704 954841101 /nfs/dbraw/zinc/84/11/01/954841101.db2.gz IIEVQQADXVGFEV-GOSISDBHSA-N -1 0 345.402 3.722 20 0 EHADRM O=C([O-])[C@H]1CCN(Cc2cnc(-c3ccccc3)nc2)c2ccccc21 ZINC001594933705 954841429 /nfs/dbraw/zinc/84/14/29/954841429.db2.gz IIEVQQADXVGFEV-SFHVURJKSA-N -1 0 345.402 3.722 20 0 EHADRM CC[C@@H](C)[C@@H](C)N(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1CC1 ZINC001589458013 954848045 /nfs/dbraw/zinc/84/80/45/954848045.db2.gz VTOVZNLQYLOZIV-KFWWJZLASA-N -1 0 326.481 3.732 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C\C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001589463644 954876670 /nfs/dbraw/zinc/87/66/70/954876670.db2.gz GYLSVQHIBOAMGO-LJTDUEICSA-N -1 0 340.379 3.609 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1C[C@@H](c2ccccc2)CC1(C)C)C(=O)[O-] ZINC001603008828 972058310 /nfs/dbraw/zinc/05/83/10/972058310.db2.gz JIEGWYRGXPMSNB-SJORKVTESA-N -1 0 346.471 3.711 20 0 EHADRM CCC(CC)(CNC(=O)/C=C/Sc1cc(F)ccc1F)C(=O)[O-] ZINC001589488126 954998023 /nfs/dbraw/zinc/99/80/23/954998023.db2.gz WXRZUDXJYYQHCG-BQYQJAHWSA-N -1 0 343.395 3.578 20 0 EHADRM CCC(CC)(CNC(=O)N[C@@H](c1ccccc1)C1CCC1)C(=O)[O-] ZINC001589489425 955010133 /nfs/dbraw/zinc/01/01/33/955010133.db2.gz KRPJEDDKVGWTSK-INIZCTEOSA-N -1 0 332.444 3.718 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1ccc(C(F)F)cc1F ZINC001594962824 955026139 /nfs/dbraw/zinc/02/61/39/955026139.db2.gz JAXPXJOPSQUGMN-HNNXBMFYSA-N -1 0 349.308 3.588 20 0 EHADRM CC[C@@H](CNC(=O)NCC(C)(C)c1ccc2ccccc2c1)C(=O)[O-] ZINC001589534379 955151144 /nfs/dbraw/zinc/15/11/44/955151144.db2.gz HBCMYEVVUKVHHT-AWEZNQCLSA-N -1 0 342.439 3.527 20 0 EHADRM CC(C)CCC[C@H](C)NC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001603021550 972081331 /nfs/dbraw/zinc/08/13/31/972081331.db2.gz MPNVHLSCDABFKQ-RYQLBKOJSA-N -1 0 346.471 3.711 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)C(F)(F)c2ccc(F)cc2)c1 ZINC000792715514 955346816 /nfs/dbraw/zinc/34/68/16/955346816.db2.gz VNHGFSTUYQWQDX-UHFFFAOYSA-N -1 0 337.297 3.573 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc2c(c1)-c1ccccc1C2 ZINC000817872276 955376207 /nfs/dbraw/zinc/37/62/07/955376207.db2.gz OIBVKFCCDKGOLW-SUMWQHHRSA-N -1 0 335.403 3.583 20 0 EHADRM Cc1sc(-n2cccc2)c(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])c1C ZINC001594510729 955389824 /nfs/dbraw/zinc/38/98/24/955389824.db2.gz VHWJIGIOWNTASS-CQSZACIVSA-N -1 0 348.468 3.632 20 0 EHADRM Cn1cc(-c2ccc(CNc3cccc(CCC(=O)[O-])c3)cc2)cn1 ZINC001594523497 955477980 /nfs/dbraw/zinc/47/79/80/955477980.db2.gz JHFHDZXHRXYWRF-UHFFFAOYSA-N -1 0 335.407 3.716 20 0 EHADRM O=C([O-])c1cccc(CNc2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)c1 ZINC000840994800 955583033 /nfs/dbraw/zinc/58/30/33/955583033.db2.gz MYFZVQBKVRENAL-RBUKOAKNSA-N -1 0 341.407 3.679 20 0 EHADRM Cn1cc(CNc2cccc(CCC(=O)[O-])c2)c(C2CCCC2)n1 ZINC001594543903 955677972 /nfs/dbraw/zinc/67/79/72/955677972.db2.gz STSKWUVBKDGSQG-UHFFFAOYSA-N -1 0 327.428 3.707 20 0 EHADRM C/C(=C\C(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000846714328 955723079 /nfs/dbraw/zinc/72/30/79/955723079.db2.gz ZSSYQKMITPVPID-YCNBAEJOSA-N -1 0 341.329 3.573 20 0 EHADRM C[C@](CNC(=O)c1cccc(C2CCC2)c1)(C(=O)[O-])c1ccccc1 ZINC001589063410 955733959 /nfs/dbraw/zinc/73/39/59/955733959.db2.gz WEZYQLHYAHIYSX-OAQYLSRUSA-N -1 0 337.419 3.726 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001589080825 955852673 /nfs/dbraw/zinc/85/26/73/955852673.db2.gz UJTNEEGRIFJOFO-GFCCVEGCSA-N -1 0 331.799 3.533 20 0 EHADRM C[C@@H](Cc1ccccc1)n1cccc1C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001589080996 955854781 /nfs/dbraw/zinc/85/47/81/955854781.db2.gz ZREJUXFOTDBUQF-AWEZNQCLSA-N -1 0 349.390 3.637 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)NCCCCCCc2ccccc2)C1 ZINC000861467250 955917330 /nfs/dbraw/zinc/91/73/30/955917330.db2.gz CJPMUDNKBRZTOX-SFHVURJKSA-N -1 0 346.471 3.686 20 0 EHADRM O=C(/C=C\c1ccc(C(=O)[O-])o1)Nc1cccc(COCC2CC2)c1 ZINC000864106055 955935392 /nfs/dbraw/zinc/93/53/92/955935392.db2.gz GZMUWRYSISZDBC-CLFYSBASSA-N -1 0 341.363 3.556 20 0 EHADRM CCc1ccc(N(CC(C)C)C(=O)c2ccc(C(=O)[O-])cn2)cc1 ZINC000864177025 955973608 /nfs/dbraw/zinc/97/36/08/955973608.db2.gz CZPBLBCOBTWMSW-UHFFFAOYSA-N -1 0 326.396 3.645 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2cc3sccc3s2)c2ccccc21 ZINC000387877056 972145397 /nfs/dbraw/zinc/14/53/97/972145397.db2.gz LHJJCUYBYYKJLL-SNVBAGLBSA-N -1 0 329.402 3.791 20 0 EHADRM C[C@@H](NC(=O)Nc1cncc(C(=O)[O-])c1)c1cccc(C2CC2)c1 ZINC001589109224 956058091 /nfs/dbraw/zinc/05/80/91/956058091.db2.gz UMWLTEDRSRUCLB-LLVKDONJSA-N -1 0 325.368 3.540 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC000872717956 956060812 /nfs/dbraw/zinc/06/08/12/956060812.db2.gz CHMCVAPKPCWEEH-AWEZNQCLSA-N -1 0 333.428 3.581 20 0 EHADRM C[C@@](NCc1sccc1Br)(C(=O)[O-])c1ccccc1 ZINC001589131940 956205124 /nfs/dbraw/zinc/20/51/24/956205124.db2.gz JPVZEHXFMWDKRO-AWEZNQCLSA-N -1 0 340.242 3.600 20 0 EHADRM CC(C)c1ncsc1NC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000899314101 956285742 /nfs/dbraw/zinc/28/57/42/956285742.db2.gz UVTSZEQGYFZFFV-LLVKDONJSA-N -1 0 325.434 3.518 20 0 EHADRM O=C([O-])CC[C@H]1C[C@@H](C(=O)Nc2cccc(-c3cccs3)c2)CO1 ZINC000901592883 956360536 /nfs/dbraw/zinc/36/05/36/956360536.db2.gz SEOQSUCZQNPCFE-HIFRSBDPSA-N -1 0 345.420 3.624 20 0 EHADRM Cc1ccc(-c2ncco2)cc1NC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C ZINC000901618525 956380097 /nfs/dbraw/zinc/38/00/97/956380097.db2.gz UXFGHAGTDWVMRE-UHFFFAOYSA-N -1 0 342.395 3.726 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000901652731 956404470 /nfs/dbraw/zinc/40/44/70/956404470.db2.gz WAOZKXFRCUCQER-IUCAKERBSA-N -1 0 349.736 3.684 20 0 EHADRM C[C@@H](SCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[O-] ZINC001589169403 956458832 /nfs/dbraw/zinc/45/88/32/956458832.db2.gz GRPMPODYVADRAT-ZCFIWIBFSA-N -1 0 341.738 3.504 20 0 EHADRM C[C@H](SCC(=O)N[C@H](c1ccccc1)C1CCCCC1)C(=O)[O-] ZINC001589169806 956465240 /nfs/dbraw/zinc/46/52/40/956465240.db2.gz OFEPHZPEICMQOV-SUMWQHHRSA-N -1 0 335.469 3.631 20 0 EHADRM CC(C)CN(CCc1ccccc1)C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC000901787446 956468180 /nfs/dbraw/zinc/46/81/80/956468180.db2.gz VWKBWOBGEINRAL-CMDGGOBGSA-N -1 0 341.407 3.718 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)Nc1ncccc1C(=O)[O-] ZINC001589173404 956477015 /nfs/dbraw/zinc/47/70/15/956477015.db2.gz XQDSUFJTBFCOEO-VIFPVBQESA-N -1 0 336.800 3.553 20 0 EHADRM O=C(/C=C\c1ccc(C(=O)[O-])o1)Nc1ccc(-c2ccccc2)cn1 ZINC001594674359 956644534 /nfs/dbraw/zinc/64/45/34/956644534.db2.gz PMPIXBYVKLLQOV-FLIBITNWSA-N -1 0 334.331 3.692 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)O[C@@H](C2CCCC2)C(F)(F)F)o1 ZINC001594674368 956645818 /nfs/dbraw/zinc/64/58/18/956645818.db2.gz PUHNZHNNZGWKLE-CFNZNRNTSA-N -1 0 332.274 3.655 20 0 EHADRM O=C([O-])c1ccc(Br)c(NC(=O)CCC2CCC2)c1 ZINC001594680032 956694235 /nfs/dbraw/zinc/69/42/35/956694235.db2.gz WPOAMPTUXIKBDE-UHFFFAOYSA-N -1 0 326.190 3.666 20 0 EHADRM O=C([O-])c1ccc(COC(=O)CCCc2cc(F)ccc2F)cc1 ZINC001594685845 956712390 /nfs/dbraw/zinc/71/23/90/956712390.db2.gz XXRKBOQQFADMAB-UHFFFAOYSA-N -1 0 334.318 3.729 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)CCSc1cccc(Cl)c1 ZINC001594687807 956719748 /nfs/dbraw/zinc/71/97/48/956719748.db2.gz LEMBGFNJNFMVGT-UHFFFAOYSA-N -1 0 336.800 3.554 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)CCOc2ccccc2)c1Cl ZINC001594688321 956727733 /nfs/dbraw/zinc/72/77/33/956727733.db2.gz YTORNFWBWXVKAZ-UHFFFAOYSA-N -1 0 337.734 3.585 20 0 EHADRM Cc1ccc(NC(=O)c2coc(/C=C\C(=O)[O-])c2)cc1N1CCCC1 ZINC000902668967 956763936 /nfs/dbraw/zinc/76/39/36/956763936.db2.gz VIXZTIQAVUDUHO-SREVYHEPSA-N -1 0 340.379 3.538 20 0 EHADRM CC1(C)C[C@@]1(NC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001589220450 956769231 /nfs/dbraw/zinc/76/92/31/956769231.db2.gz WHTZWRKUZQWPPN-HXUWFJFHSA-N -1 0 338.407 3.509 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc([C@@H](F)C(F)(F)F)cc2)CC=CC1 ZINC000902701892 956776631 /nfs/dbraw/zinc/77/66/31/956776631.db2.gz NPFTXCQELWDKPM-LLVKDONJSA-N -1 0 331.265 3.619 20 0 EHADRM Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)CCCC(=O)[O-])c1 ZINC000000325127 956861114 /nfs/dbraw/zinc/86/11/14/956861114.db2.gz HJCJHELMIWFHMB-UHFFFAOYSA-N -1 0 343.427 3.672 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OCCOc1ccc(Cl)cc1 ZINC000011800725 956891235 /nfs/dbraw/zinc/89/12/35/956891235.db2.gz UKFTUFXYIXORDA-YCRREMRBSA-N -1 0 348.782 3.904 20 0 EHADRM Cc1nnc(SCc2cccc(C(=O)[O-])c2)n1-c1ccccc1 ZINC000013061931 956921755 /nfs/dbraw/zinc/92/17/55/956921755.db2.gz IMAUHQMPQPNFRR-UHFFFAOYSA-N -1 0 325.393 3.566 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 ZINC000013166894 956948449 /nfs/dbraw/zinc/94/84/49/956948449.db2.gz DAMMLAAIPFUFKV-UHFFFAOYSA-N -1 0 327.355 3.974 20 0 EHADRM Cc1ccc(Cl)c(OCC(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000013169890 956952892 /nfs/dbraw/zinc/95/28/92/956952892.db2.gz XKWLYTHXGDOEBG-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc3c(s2)CCCC3)cc1 ZINC000013180077 956963865 /nfs/dbraw/zinc/96/38/65/956963865.db2.gz SLYRWEZCFULUNR-HNNXBMFYSA-N -1 0 343.448 3.881 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)Cc1csc(C(C)(C)C)n1 ZINC000905268726 956968978 /nfs/dbraw/zinc/96/89/78/956968978.db2.gz LNKLCNPQVKZIQH-UHFFFAOYSA-N -1 0 332.425 3.628 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(-n3cccc3)cc2)cc1 ZINC000013258139 956994911 /nfs/dbraw/zinc/99/49/11/956994911.db2.gz FWFNDICASBVEOO-LJQANCHMSA-N -1 0 348.402 3.732 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)[C@H](F)CC2CCCCC2)c2ccccc21 ZINC001594725755 956996452 /nfs/dbraw/zinc/99/64/52/956996452.db2.gz DUBISWMOJUDUSJ-GVDBMIGSSA-N -1 0 333.403 3.724 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)c2c[nH]cc2-c2ccccc2)c2ccccc21 ZINC001594726778 957013217 /nfs/dbraw/zinc/01/32/17/957013217.db2.gz OEZNOBHSJCQIKI-LPHOPBHVSA-N -1 0 346.386 3.725 20 0 EHADRM Cc1c2cccc(Cl)c2[nH]c1C(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000909499654 957024115 /nfs/dbraw/zinc/02/41/15/957024115.db2.gz WLEOILGZYVQIGL-LLVKDONJSA-N -1 0 334.803 3.599 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1cnc(Cl)c(Cl)c1 ZINC000013391215 957047824 /nfs/dbraw/zinc/04/78/24/957047824.db2.gz UTBUYNSLIJEOHY-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM C[C@@]1(Cc2ccc(Cl)s2)CCCN1C(=O)CCCC(=O)[O-] ZINC000911061958 957053513 /nfs/dbraw/zinc/05/35/13/957053513.db2.gz MTOIATPUAYIVRB-HNNXBMFYSA-N -1 0 329.849 3.580 20 0 EHADRM Cc1cc(C)c(NC(=O)COc2ccc(CC(=O)[O-])cc2)c(Cl)c1 ZINC000013420983 957066138 /nfs/dbraw/zinc/06/61/38/957066138.db2.gz VUYGDCUUZGUFKM-UHFFFAOYSA-N -1 0 347.798 3.601 20 0 EHADRM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)C1(C(=O)[O-])C(C)(C)C1(C)C ZINC001589263462 957066995 /nfs/dbraw/zinc/06/69/95/957066995.db2.gz NFFSKSOJNDNRFM-HIFRSBDPSA-N -1 0 329.440 3.528 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)CCc1ccccc1Cl ZINC000013428777 957068838 /nfs/dbraw/zinc/06/88/38/957068838.db2.gz LWNBUPLJQGAKQO-UHFFFAOYSA-N -1 0 345.826 3.776 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2ccc(O)c(COC(C)C)c2)c1 ZINC000911466008 957072430 /nfs/dbraw/zinc/07/24/30/957072430.db2.gz ITGWUVHMWAZYCE-UHFFFAOYSA-N -1 0 343.379 3.576 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1 ZINC000013440076 957077703 /nfs/dbraw/zinc/07/77/03/957077703.db2.gz DUUMAPNIWYEZQO-UHFFFAOYSA-N -1 0 348.402 3.926 20 0 EHADRM CC(=O)c1ccc(NC(=S)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000013813007 957094975 /nfs/dbraw/zinc/09/49/75/957094975.db2.gz WJBUWZTYTCIQDT-UHFFFAOYSA-N -1 0 328.393 3.705 20 0 EHADRM Cc1oc(-c2cccs2)nc1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000915855356 957095390 /nfs/dbraw/zinc/09/53/90/957095390.db2.gz SGOXGBJPHMVGKU-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)[C@H]2CCC[C@H](F)C2)CC1 ZINC001118061312 957157656 /nfs/dbraw/zinc/15/76/56/957157656.db2.gz SQJUMWOOOYWDHS-GJZGRUSLSA-N -1 0 333.403 3.619 20 0 EHADRM O=C([O-])Cc1sc(NC(=O)c2cccs2)nc1-c1ccccc1 ZINC000031976211 957169506 /nfs/dbraw/zinc/16/95/06/957169506.db2.gz FOJACEOOVQMMTM-UHFFFAOYSA-N -1 0 344.417 3.751 20 0 EHADRM O=C([O-])c1ccccc1C(=O)Nc1cc(Br)ccc1F ZINC000036751765 957233045 /nfs/dbraw/zinc/23/30/45/957233045.db2.gz OGAZJWXXWJXYAH-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM CCOc1cccc([C@@H](C)NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC001263062212 957283225 /nfs/dbraw/zinc/28/32/25/957283225.db2.gz NSSZYOJGBFWPRT-GDBMZVCRSA-N -1 0 348.443 3.575 20 0 EHADRM Cc1ccccc1CN(C(=O)NCc1cccc(C(=O)[O-])c1)C1CC1 ZINC001263063826 957286228 /nfs/dbraw/zinc/28/62/28/957286228.db2.gz HMQPUHMMKHVGAS-UHFFFAOYSA-N -1 0 338.407 3.567 20 0 EHADRM Cc1cc(NC(=O)NCCCCCCC(=O)[O-])c(Cl)cc1F ZINC000389891929 972254851 /nfs/dbraw/zinc/25/48/51/972254851.db2.gz KPUPAOZARDAHFX-UHFFFAOYSA-N -1 0 330.787 3.944 20 0 EHADRM Cc1nc(CN[C@](C)(C(=O)[O-])c2ccc(Cl)c(Cl)c2)cs1 ZINC000041835999 957400432 /nfs/dbraw/zinc/40/04/32/957400432.db2.gz ZEAQZELMUVUCCJ-AWEZNQCLSA-N -1 0 345.251 3.848 20 0 EHADRM CN(Cc1cc(Br)cs1)c1ccccc1C(=O)[O-] ZINC000042399731 957412690 /nfs/dbraw/zinc/41/26/90/957412690.db2.gz IDBMZTHXZPWGJE-UHFFFAOYSA-N -1 0 326.215 3.845 20 0 EHADRM CCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000054701768 957541915 /nfs/dbraw/zinc/54/19/15/957541915.db2.gz JVUIICIEERYWSV-OAHLLOKOSA-N -1 0 330.771 3.625 20 0 EHADRM Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000390332593 972275967 /nfs/dbraw/zinc/27/59/67/972275967.db2.gz DBYNXGGPWGPHLW-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM C[C@@](CNC(=O)NCC1CCCCCCC1)(C(=O)[O-])c1ccccc1 ZINC001603176675 972279647 /nfs/dbraw/zinc/27/96/47/972279647.db2.gz OALWLPUWODSDPR-FQEVSTJZSA-N -1 0 346.471 3.689 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OC(=O)COc1ccccc1Cl ZINC000066143446 957641145 /nfs/dbraw/zinc/64/11/45/957641145.db2.gz BKZXAEZKWNLRDX-UHFFFAOYSA-N -1 0 341.146 3.676 20 0 EHADRM Cc1cc(C(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)cnc1F ZINC001594281383 957748027 /nfs/dbraw/zinc/74/80/27/957748027.db2.gz KWTCCZPKUOYABF-QMMMGPOBSA-N -1 0 348.399 3.666 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)O[C@H]1CCC[C@H]1Cc1cccc(Cl)c1 ZINC001574770108 957752849 /nfs/dbraw/zinc/75/28/49/957752849.db2.gz FAWOJQQPMUOADI-XZDPQHSOSA-N -1 0 336.815 3.705 20 0 EHADRM COc1ccc2oc(CN[C@](C)(C(=O)[O-])c3ccccc3)cc2c1 ZINC001333120839 957772544 /nfs/dbraw/zinc/77/25/44/957772544.db2.gz GSKXEBKBYAMXLX-IBGZPJMESA-N -1 0 325.364 3.531 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2ccc3c(ccnc3N(C)C)c2)c1 ZINC001594288658 957801348 /nfs/dbraw/zinc/80/13/48/957801348.db2.gz BXUFXPMZUDRJBQ-UHFFFAOYSA-N -1 0 349.390 3.560 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2CCC[C@@H]2Cc2ccccc2)ccc1O ZINC001574790494 957806446 /nfs/dbraw/zinc/80/64/46/957806446.db2.gz VMXLGJNUUSWVOZ-ZBFHGGJFSA-N -1 0 339.391 3.688 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1F ZINC000390580484 972294078 /nfs/dbraw/zinc/29/40/78/972294078.db2.gz QCCOGPJOKXDPGZ-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)NCCCCC(=O)[O-] ZINC001594289791 957819362 /nfs/dbraw/zinc/81/93/62/957819362.db2.gz CSWAVVGURRRCSA-UHFFFAOYSA-N -1 0 348.487 3.698 20 0 EHADRM Cc1cc(C)c2c(c1)CN(C(=O)Nc1cccc(CC(=O)[O-])c1)CC2 ZINC001594294339 957858199 /nfs/dbraw/zinc/85/81/99/957858199.db2.gz HDZMQNCQWNKRGJ-UHFFFAOYSA-N -1 0 338.407 3.521 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC001339845559 957892224 /nfs/dbraw/zinc/89/22/24/957892224.db2.gz NBWMDKLEKLLAQE-VHSSKADRSA-N -1 0 338.407 3.668 20 0 EHADRM CON(C[C@H]1CCC[C@@H](C)C1)C(=O)C1(C(=O)[O-])CCCCCC1 ZINC001594043911 957903446 /nfs/dbraw/zinc/90/34/46/957903446.db2.gz NPLOUFSGTQVJTI-CABCVRRESA-N -1 0 325.449 3.628 20 0 EHADRM CC(C)c1ccc(C[C@@H](C)NC(=O)Nc2ccnc(C(=O)[O-])c2)cc1 ZINC001603199485 972302625 /nfs/dbraw/zinc/30/26/25/972302625.db2.gz FNIJSLORDZTJBU-CYBMUJFWSA-N -1 0 341.411 3.656 20 0 EHADRM CCN(C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)C1CCCCC1 ZINC001340586536 957943220 /nfs/dbraw/zinc/94/32/20/957943220.db2.gz WRJADMVFADRNAG-SJORKVTESA-N -1 0 330.428 3.664 20 0 EHADRM Cc1cc(NC(=O)CCCCC(=O)[O-])ccc1C(=O)OC(C)(C)C ZINC001594317177 958078908 /nfs/dbraw/zinc/07/89/08/958078908.db2.gz RGNOYLWOBSGPRG-UHFFFAOYSA-N -1 0 335.400 3.534 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C[C@H]1C ZINC000391130916 972318961 /nfs/dbraw/zinc/31/89/61/972318961.db2.gz CGIKDSJGOPTLMH-BBBLOLIVSA-N -1 0 326.343 3.609 20 0 EHADRM Cc1cc(NC(=O)Nc2ccc(-c3cc[nH]n3)cc2)ccc1C(=O)[O-] ZINC001594323407 958142865 /nfs/dbraw/zinc/14/28/65/958142865.db2.gz KAVGRCGIPQCBSM-UHFFFAOYSA-N -1 0 336.351 3.727 20 0 EHADRM Cc1cc2c(CC(=O)Nc3ncccc3C(=O)[O-])csc2s1 ZINC001594331594 958229996 /nfs/dbraw/zinc/22/99/96/958229996.db2.gz QOHMAQUNOAWTHJ-UHFFFAOYSA-N -1 0 332.406 3.546 20 0 EHADRM O=C([O-])c1cccc(F)c1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000391373568 972331877 /nfs/dbraw/zinc/33/18/77/972331877.db2.gz WHWJCLJHECPTJQ-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM Cc1cc2scc(CC(=O)NC3(C(=O)[O-])CCCCC3)c2s1 ZINC001594333139 958245384 /nfs/dbraw/zinc/24/53/84/958245384.db2.gz PZSGQNAIXYSWAF-UHFFFAOYSA-N -1 0 337.466 3.717 20 0 EHADRM COc1ccc(C(=O)Nc2cccnc2C(=O)[O-])cc1-c1ccccc1 ZINC001594080013 958250951 /nfs/dbraw/zinc/25/09/51/958250951.db2.gz HAZRBHGGEQWYFC-UHFFFAOYSA-N -1 0 348.358 3.708 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC001594080221 958254321 /nfs/dbraw/zinc/25/43/21/958254321.db2.gz WBZOQDNBVJVSFI-CQSZACIVSA-N -1 0 336.432 3.614 20 0 EHADRM CC[C@@](C)(NC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)[O-] ZINC000094219219 958263745 /nfs/dbraw/zinc/26/37/45/958263745.db2.gz MGLXVVIJWXBNGC-CQSZACIVSA-N -1 0 329.780 3.677 20 0 EHADRM COc1ccc(C(C)(C)NC(=O)Nc2cccc(C(=O)[O-])c2)cc1F ZINC001594081661 958272346 /nfs/dbraw/zinc/27/23/46/958272346.db2.gz NUUVXXSWKHQADE-UHFFFAOYSA-N -1 0 346.358 3.589 20 0 EHADRM Cc1ccc(C[C@H]2CCCN(C(=O)[C@H](C(=O)[O-])C(C)(C)C)C2)cc1 ZINC001594354803 958403417 /nfs/dbraw/zinc/40/34/17/958403417.db2.gz HIJDVOWFCUSUAP-IAGOWNOFSA-N -1 0 331.456 3.523 20 0 EHADRM COc1ccc2c(c1)[C@H](C(=O)Nc1sccc1C(=O)[O-])CCC2 ZINC001594114328 958545402 /nfs/dbraw/zinc/54/54/02/958545402.db2.gz ZLLOLZZZUUZUKD-GFCCVEGCSA-N -1 0 331.393 3.514 20 0 EHADRM COc1ccc2cc([C@@H](C)OC(=O)[C@@H]3CC[C@H]3C(=O)[O-])ccc2c1 ZINC001594118197 958576052 /nfs/dbraw/zinc/57/60/52/958576052.db2.gz AOMZPLJPPUDRBH-SSKCKEOISA-N -1 0 328.364 3.563 20 0 EHADRM CC(C)CN(C(=O)NCCc1ccc(C(=O)[O-])cc1)C1CCCC1 ZINC000391720967 972361481 /nfs/dbraw/zinc/36/14/81/972361481.db2.gz GJZTXJKATSNYFV-UHFFFAOYSA-N -1 0 332.444 3.538 20 0 EHADRM C/C(=C/c1ccccc1)CN(C)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001588487774 958628059 /nfs/dbraw/zinc/62/80/59/958628059.db2.gz JWEJDTCMUUIHIE-PTNGSMBKSA-N -1 0 338.407 3.630 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)c1ccccc1Br ZINC000128170692 958640887 /nfs/dbraw/zinc/64/08/87/958640887.db2.gz GTLMXDFVJBPLBN-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM Cc1cc(Cl)c(NC(=O)N[C@H](CC(=O)[O-])C2CC2)cc1Cl ZINC000128381002 958660892 /nfs/dbraw/zinc/66/08/92/958660892.db2.gz GWUJWEHPQMWYPZ-LLVKDONJSA-N -1 0 331.199 3.677 20 0 EHADRM Cc1ccc2oc(CN(Cc3ccco3)C(=O)CCC(=O)[O-])cc2c1 ZINC001594386330 958675251 /nfs/dbraw/zinc/67/52/51/958675251.db2.gz UNCBPANBQJCMAU-UHFFFAOYSA-N -1 0 341.363 3.728 20 0 EHADRM Cc1cccc(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1C(F)(F)F ZINC001594388248 958695555 /nfs/dbraw/zinc/69/55/55/958695555.db2.gz SZECZBDVJXPYSI-UHFFFAOYSA-N -1 0 339.269 3.670 20 0 EHADRM CC(C)(C)C1CCC(OC(=O)C2(C(=O)[O-])CCSCC2)CC1 ZINC001573391673 958705890 /nfs/dbraw/zinc/70/58/90/958705890.db2.gz WIBQGPUMIAYRDC-UHFFFAOYSA-N -1 0 328.474 3.733 20 0 EHADRM COc1cccc2cc(C(=O)Nc3c(C)cccc3C(=O)[O-])oc21 ZINC001594137987 958720228 /nfs/dbraw/zinc/72/02/28/958720228.db2.gz ZGXXEMOEOYQODO-UHFFFAOYSA-N -1 0 325.320 3.700 20 0 EHADRM Cc1cccc([C@H](NC(=O)Nc2nc(C(C)C)cs2)C(=O)[O-])c1 ZINC001594392595 958744126 /nfs/dbraw/zinc/74/41/26/958744126.db2.gz HXBIMWXUNRBPJZ-ZDUSSCGKSA-N -1 0 333.413 3.522 20 0 EHADRM Cc1cccc([C@@H](NC(=O)C[C@H](C)c2ccc(F)cc2)C(=O)[O-])c1 ZINC001594394985 958762297 /nfs/dbraw/zinc/76/22/97/958762297.db2.gz YMPQBWPKIQALBE-SCLBCKFNSA-N -1 0 329.371 3.570 20 0 EHADRM O=C([O-])c1cc(NC(=O)/C=C/c2ccccc2)ccc1Br ZINC000132317322 958780237 /nfs/dbraw/zinc/78/02/37/958780237.db2.gz URTOSEUXFLGHMA-RMKNXTFCSA-N -1 0 346.180 3.799 20 0 EHADRM Cc1cccc(C)c1NC(=S)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001594400858 958855471 /nfs/dbraw/zinc/85/54/71/958855471.db2.gz VCAYZRLPOIELMQ-MELADBBJSA-N -1 0 334.485 3.725 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2ccccc2C(F)(F)F)CCCCC1 ZINC000391893629 972387397 /nfs/dbraw/zinc/38/73/97/972387397.db2.gz BLULFROTSZFHSE-UHFFFAOYSA-N -1 0 343.345 3.860 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)c2cc3cc(F)ccc3o2)c2ccccc21 ZINC001605743697 972388936 /nfs/dbraw/zinc/38/89/36/972388936.db2.gz NRFZAIGAZNCRHL-LSDHHAIUSA-N -1 0 339.322 3.615 20 0 EHADRM CC(C)(CNC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccccc1Cl ZINC001573475048 958960372 /nfs/dbraw/zinc/96/03/72/958960372.db2.gz VKNUDNMHMJHURT-NTMALXAHSA-N -1 0 347.798 3.738 20 0 EHADRM Cc1cccc2c1CCC[C@@H]2NC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001594413004 958962344 /nfs/dbraw/zinc/96/23/44/958962344.db2.gz QCXFDIURTPVTPI-QAPCUYQASA-N -1 0 344.455 3.659 20 0 EHADRM Cc1ccccc1-c1cnc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)o1 ZINC001594414015 958981429 /nfs/dbraw/zinc/98/14/29/958981429.db2.gz SFMWAFQWJQFLNP-SFHVURJKSA-N -1 0 340.354 3.705 20 0 EHADRM Cc1ccccc1C(C)(C)NC(=O)Nc1ccccc1CC(=O)[O-] ZINC001594415819 959000486 /nfs/dbraw/zinc/00/04/86/959000486.db2.gz PWLDADNONFOTRK-UHFFFAOYSA-N -1 0 326.396 3.679 20 0 EHADRM Cc1ccccc1[C@@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001594415836 959000747 /nfs/dbraw/zinc/00/07/47/959000747.db2.gz RQXXXIBLSPBHGX-LLVKDONJSA-N -1 0 345.420 3.570 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC001573490129 959015736 /nfs/dbraw/zinc/01/57/36/959015736.db2.gz WRWKLMCSZFWZMJ-INIZCTEOSA-N -1 0 337.379 3.525 20 0 EHADRM C[C@H](C(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1cn(C)c2ccccc12 ZINC001588551088 959018711 /nfs/dbraw/zinc/01/87/11/959018711.db2.gz QIDPYNYRZGZTRR-LSDHHAIUSA-N -1 0 342.439 3.528 20 0 EHADRM CC(C)[C@H](CNC(=O)N1CCC(CC2CCCCC2)CC1)C(=O)[O-] ZINC001573491801 959029908 /nfs/dbraw/zinc/02/99/08/959029908.db2.gz OLGHITVTWKMYOK-KRWDZBQOSA-N -1 0 338.492 3.735 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CC(=O)N2CCCc3cc(C(=O)[O-])ccc32)CCO1 ZINC001573501148 959061999 /nfs/dbraw/zinc/06/19/99/959061999.db2.gz FRWXRPBKOARRFR-KSSFIOAISA-N -1 0 345.439 3.505 20 0 EHADRM CC(C)[C@@H]1C[C@H](CC(=O)N2CCCc3cc(C(=O)[O-])ccc32)CCO1 ZINC001573501147 959062198 /nfs/dbraw/zinc/06/21/98/959062198.db2.gz FRWXRPBKOARRFR-KDOFPFPSSA-N -1 0 345.439 3.505 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(O)c(C(=O)[O-])c1)c1cc2ccccc2o1 ZINC001588557405 959066282 /nfs/dbraw/zinc/06/62/82/959066282.db2.gz GGKZIPZSJBWALD-SNVBAGLBSA-N -1 0 325.320 3.579 20 0 EHADRM C[C@@H](C(=O)Nc1cccnc1C(=O)[O-])c1ccccc1C(F)(F)F ZINC001588560169 959091837 /nfs/dbraw/zinc/09/18/37/959091837.db2.gz GMENUSODWFCSPO-SECBINFHSA-N -1 0 338.285 3.541 20 0 EHADRM COc1ccc(NC(=O)C2CCC(C(F)(F)F)CC2)c(C(=O)[O-])c1 ZINC000392083161 972407814 /nfs/dbraw/zinc/40/78/14/972407814.db2.gz YTVKUXJGXMOMQY-UHFFFAOYSA-N -1 0 345.317 3.701 20 0 EHADRM CSc1cc(NC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)ccc1Cl ZINC001594190441 959171118 /nfs/dbraw/zinc/17/11/18/959171118.db2.gz ZWSOOFBDHSCVLH-ZJUUUORDSA-N -1 0 342.848 3.636 20 0 EHADRM CC(C)c1cccc(CNC(=O)NCc2cccc(C(=O)[O-])c2)c1 ZINC001573564715 959281810 /nfs/dbraw/zinc/28/18/10/959281810.db2.gz METKVXZZEYWSGV-UHFFFAOYSA-N -1 0 326.396 3.508 20 0 EHADRM CC(C)c1cccc(CNC(=O)NCc2ccccc2C(=O)[O-])c1 ZINC001573565088 959284980 /nfs/dbraw/zinc/28/49/80/959284980.db2.gz SOCFLPYDJGXUSM-UHFFFAOYSA-N -1 0 326.396 3.508 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)Nc1cccc2c1ccn2C(F)F)C1CC1 ZINC001588585872 959310826 /nfs/dbraw/zinc/31/08/26/959310826.db2.gz GETLQPDPCMMDDS-SECBINFHSA-N -1 0 337.326 3.506 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000183966187 959460009 /nfs/dbraw/zinc/46/00/09/959460009.db2.gz XEUFHGOPGSMTQF-GHMZBOCLSA-N -1 0 329.849 3.641 20 0 EHADRM CCOc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000183969419 959460676 /nfs/dbraw/zinc/46/06/76/959460676.db2.gz UZFZSQKEYCISOQ-BQFCYCMXSA-N -1 0 345.439 3.640 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)cc2)cs1 ZINC000183970249 959461198 /nfs/dbraw/zinc/46/11/98/959461198.db2.gz WLGNKPJLRAVLNL-KGLIPLIRSA-N -1 0 344.436 3.948 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001573608595 959467282 /nfs/dbraw/zinc/46/72/82/959467282.db2.gz SRBVLNCUBPHMLU-GFCCVEGCSA-N -1 0 331.799 3.533 20 0 EHADRM C[C@H](Cn1ccc2ccccc21)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC001573610810 959479146 /nfs/dbraw/zinc/47/91/46/959479146.db2.gz KJMQZFSSJIKFIE-NVXWUHKLSA-N -1 0 342.439 3.523 20 0 EHADRM Cc1nc2ccc(NC(=O)C3(C(=O)[O-])C(C)(C)C3(C)C)cc2s1 ZINC001594464331 959494956 /nfs/dbraw/zinc/49/49/56/959494956.db2.gz SNDBTCKRVIHWND-UHFFFAOYSA-N -1 0 332.425 3.680 20 0 EHADRM CCC[C@@](C)(NC(=O)c1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000190712207 959519246 /nfs/dbraw/zinc/51/92/46/959519246.db2.gz IRKZAPMUXHDIAY-OAHLLOKOSA-N -1 0 331.334 3.555 20 0 EHADRM COc1ccc2cccc(CC(=O)Nc3cccc(C(=O)[O-])c3)c2c1 ZINC000190874415 959526775 /nfs/dbraw/zinc/52/67/75/959526775.db2.gz LEQXFTPWWFFMQE-UHFFFAOYSA-N -1 0 335.359 3.728 20 0 EHADRM Cc1ccccc1N(CCC(=O)[O-])C(=O)Cc1ccc2c(c1)CCC2 ZINC000392273880 972436989 /nfs/dbraw/zinc/43/69/89/972436989.db2.gz XIOVNVKQRAELLK-UHFFFAOYSA-N -1 0 337.419 3.534 20 0 EHADRM C[C@H](OC(=O)[C@]1(C(=O)[O-])CC1(C)C)c1cccc(Br)c1 ZINC001594242831 959543778 /nfs/dbraw/zinc/54/37/78/959543778.db2.gz MNIPJOBTGKDOEQ-BJOHPYRUSA-N -1 0 341.201 3.554 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2cccc3ncccc32)cc1)C(=O)[O-] ZINC000191412129 959562628 /nfs/dbraw/zinc/56/26/28/959562628.db2.gz QQIWBEYHKBSLQD-ZDUSSCGKSA-N -1 0 334.375 3.750 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NC2(Cc3ccccc3)CCCC2)C1 ZINC000191628023 959587482 /nfs/dbraw/zinc/58/74/82/959587482.db2.gz ZMUFNTDFOGAWFP-SJORKVTESA-N -1 0 329.440 3.549 20 0 EHADRM CC[C@H](C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-])c1ccccc1 ZINC000192889047 959595167 /nfs/dbraw/zinc/59/51/67/959595167.db2.gz RAAUMIASGZUPIC-JLSDUUJJSA-N -1 0 325.408 3.758 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000192999728 959605738 /nfs/dbraw/zinc/60/57/38/959605738.db2.gz UJWVBSWTRQTMSH-CQSZACIVSA-N -1 0 335.448 3.638 20 0 EHADRM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC001573641232 959609870 /nfs/dbraw/zinc/60/98/70/959609870.db2.gz QFNWXLCXVZIRNS-JKIFEVAISA-N -1 0 347.455 3.606 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1cccc(Cl)c1OCC(F)F ZINC001588632969 959627260 /nfs/dbraw/zinc/62/72/60/959627260.db2.gz CHBSYFLLOPTTGQ-LLVKDONJSA-N -1 0 349.761 3.669 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N[C@H]1CCc2cccc3cccc1c32 ZINC001588636131 959662716 /nfs/dbraw/zinc/66/27/16/959662716.db2.gz XABVLWRMCJGDLQ-DOTOQJQBSA-N -1 0 325.408 3.690 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCC(c2ccc(Cl)cc2)CC1 ZINC001573665367 959690133 /nfs/dbraw/zinc/69/01/33/959690133.db2.gz WELGCKVHSHEBIM-GOSISDBHSA-N -1 0 335.831 3.547 20 0 EHADRM CC1(C)CCCC[C@H]1CC(=O)Nc1nc2ccccn2c1C(=O)[O-] ZINC001573667043 959697748 /nfs/dbraw/zinc/69/77/48/959697748.db2.gz CVFNJDFDOMNBRX-LBPRGKRZSA-N -1 0 329.400 3.578 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1cc(Cl)cc(Br)c1 ZINC001573667229 959699178 /nfs/dbraw/zinc/69/91/78/959699178.db2.gz DPJPZKXJRIHLBI-ZDUSSCGKSA-N -1 0 346.608 3.542 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)C[C@H](c1ccc(O)cc1)C1CC1)C(=O)[O-] ZINC001588646809 959742585 /nfs/dbraw/zinc/74/25/85/959742585.db2.gz ZICGRJHIMXNAQZ-DLBZAZTESA-N -1 0 347.455 3.672 20 0 EHADRM CCCN(C(=O)C(c1ccccc1)c1ccccc1)[C@H](C)C(=O)[O-] ZINC000218267757 959784149 /nfs/dbraw/zinc/78/41/49/959784149.db2.gz YRDPSYAEVZYCFG-OAHLLOKOSA-N -1 0 325.408 3.530 20 0 EHADRM C[C@@H]1CC[C@@](C)(/C=C\C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C1(C)C ZINC001573712679 959857425 /nfs/dbraw/zinc/85/74/25/959857425.db2.gz UUMBMVFCOLZBBF-LTUDBWJMSA-N -1 0 347.459 3.660 20 0 EHADRM C[C@@H]1CCCN(C(=O)/C=C\c2ccc(C(C)(C)C)cc2)[C@H]1C(=O)[O-] ZINC001573723204 959883804 /nfs/dbraw/zinc/88/38/04/959883804.db2.gz PFUMRSQERKGOIU-ZLUAXRIPSA-N -1 0 329.440 3.709 20 0 EHADRM O=C([O-])c1coc(C(=O)Nc2ccc(Cl)c(Br)c2)c1 ZINC000228150020 959993337 /nfs/dbraw/zinc/99/33/37/959993337.db2.gz OXFTVAOGCYFALG-UHFFFAOYSA-N -1 0 344.548 3.646 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2Cc1sccc1Br ZINC000228532882 960022988 /nfs/dbraw/zinc/02/29/88/960022988.db2.gz LSDLNOSQVBZWPU-UHFFFAOYSA-N -1 0 338.226 3.772 20 0 EHADRM CSc1ccc(NC(=O)N2CCc3c(cccc3C(=O)[O-])C2)cc1 ZINC000392444488 972486826 /nfs/dbraw/zinc/48/68/26/972486826.db2.gz ASKSSIOMQGLQHF-UHFFFAOYSA-N -1 0 342.420 3.697 20 0 EHADRM CC1(C)CC(NC(=O)NCc2cccc(C(=O)[O-])c2)CC(C)(C)C1 ZINC000392479811 972489298 /nfs/dbraw/zinc/48/92/98/972489298.db2.gz FGFHNJXTFPYEAZ-UHFFFAOYSA-N -1 0 332.444 3.789 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)c1ccnc(SC(C)(C)C)c1 ZINC001588655656 960409240 /nfs/dbraw/zinc/40/92/40/960409240.db2.gz HLTRNYOHEZPECS-UHFFFAOYSA-N -1 0 338.473 3.545 20 0 EHADRM COc1ccccc1C1(C(=O)OCc2ccc(C(=O)[O-])cc2)CCC1 ZINC001574236667 960433213 /nfs/dbraw/zinc/43/32/13/960433213.db2.gz DNRNIBNMKBKVPQ-UHFFFAOYSA-N -1 0 340.375 3.559 20 0 EHADRM C[C@@H]1CN(C(=O)c2coc(/C=C\C(=O)[O-])c2)c2ccccc2S1 ZINC001573747524 960505957 /nfs/dbraw/zinc/50/59/57/960505957.db2.gz DYHPEABOMLPJEE-JMEBYUIHSA-N -1 0 329.377 3.518 20 0 EHADRM CSCCc1ccc(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC001574256954 960535979 /nfs/dbraw/zinc/53/59/79/960535979.db2.gz GNMMHCPEDMJVHT-CLFYSBASSA-N -1 0 331.393 3.535 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)C(=O)CSCc1ccc(C(C)(C)C)cc1 ZINC001573757412 960568029 /nfs/dbraw/zinc/56/80/29/960568029.db2.gz BMNMBAVGCCXNQG-OAHLLOKOSA-N -1 0 337.485 3.539 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)c1cc(-n2cccc2)ccc1Cl ZINC001574265948 960578374 /nfs/dbraw/zinc/57/83/74/960578374.db2.gz GMRPHFRFLATHHQ-MLGOLLRUSA-N -1 0 346.814 3.599 20 0 EHADRM COc1cc(NC(=O)N(C)[C@H](C)Cc2cccs2)ccc1C(=O)[O-] ZINC000392726726 972514834 /nfs/dbraw/zinc/51/48/34/972514834.db2.gz QTMVKNNDWYQXLY-LLVKDONJSA-N -1 0 348.424 3.550 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001603284493 972521568 /nfs/dbraw/zinc/52/15/68/972521568.db2.gz YLGXKMORGUDESF-ZFWWWQNUSA-N -1 0 337.485 3.704 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)CC(C2CC2)C2CC2)cc1 ZINC001254211048 960649519 /nfs/dbraw/zinc/64/95/19/960649519.db2.gz HMKDRURQPURVOU-KRWDZBQOSA-N -1 0 347.480 3.867 20 0 EHADRM CC[C@](C)(NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccc(F)cc1 ZINC001573770282 960660619 /nfs/dbraw/zinc/66/06/19/960660619.db2.gz OIWWNTYAHMENCG-CKDFRHGISA-N -1 0 331.343 3.572 20 0 EHADRM C[C@H](OC(=O)c1ccc(OCC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001574289078 960671985 /nfs/dbraw/zinc/67/19/85/960671985.db2.gz ANDQGACEODFFMI-NSHDSACASA-N -1 0 334.755 3.721 20 0 EHADRM CC[C@@H](C)Cc1c(C)sc2[nH]c(S[C@@H](C)C(=O)[O-])nc(=O)c12 ZINC001573776925 960698406 /nfs/dbraw/zinc/69/84/06/960698406.db2.gz SBFODLRDZVQIBK-APPZFPTMSA-N -1 0 340.470 3.859 20 0 EHADRM C/C(=C/C(=O)N[C@@H](CC(=O)[O-])c1cccs1)c1ccc(F)cc1 ZINC000236656809 960725350 /nfs/dbraw/zinc/72/53/50/960725350.db2.gz YTGDFKRQJZBMAT-FPAJZGIOSA-N -1 0 333.384 3.623 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)OC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001574307293 960747484 /nfs/dbraw/zinc/74/74/84/960747484.db2.gz YGICYGBJBFDOTP-MCIONIFRSA-N -1 0 346.379 3.615 20 0 EHADRM CCCN(C(=O)c1ccc(C(=O)[O-])cc1)[C@@H]1CCc2ccccc2C1 ZINC000236746763 960749336 /nfs/dbraw/zinc/74/93/36/960749336.db2.gz XPYVZQCJZPQBRV-LJQANCHMSA-N -1 0 337.419 3.795 20 0 EHADRM CC[C@H](CCc1ccccc1)NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001573791306 960756188 /nfs/dbraw/zinc/75/61/88/960756188.db2.gz NUAHAEZTFVVVLN-HFBDAHEESA-N -1 0 327.380 3.519 20 0 EHADRM CCC[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000236846916 960774323 /nfs/dbraw/zinc/77/43/23/960774323.db2.gz CMSVEJVXLCINLA-ZWNOBZJWSA-N -1 0 347.333 3.653 20 0 EHADRM CCC[C@](C)(NC(=O)c1sc(-c2cccs2)nc1C)C(=O)[O-] ZINC000236850832 960774791 /nfs/dbraw/zinc/77/47/91/960774791.db2.gz FLPUTEUOJCCLAL-HNNXBMFYSA-N -1 0 338.454 3.553 20 0 EHADRM CCC(CC)(CNC(=O)[C@H](OC1CCCC1)c1ccccc1)C(=O)[O-] ZINC000236868104 960785512 /nfs/dbraw/zinc/78/55/12/960785512.db2.gz RRCUWKIGPODDEI-QGZVFWFLSA-N -1 0 347.455 3.694 20 0 EHADRM CC[C@@H](C)[C@H](C(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000236874316 960787297 /nfs/dbraw/zinc/78/72/97/960787297.db2.gz CESJPKMMVATSBM-KUHUBIRLSA-N -1 0 341.407 3.918 20 0 EHADRM CCC[C@@H](NC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)C(=O)[O-] ZINC000236878388 960787827 /nfs/dbraw/zinc/78/78/27/960787827.db2.gz AZQHSTFXONXRQO-NXIHDVOMSA-N -1 0 349.736 3.655 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)CCC[C@@H](O)c1ccccc1 ZINC001262177559 960816521 /nfs/dbraw/zinc/81/65/21/960816521.db2.gz YTPLUEOUVGPOPB-QGZVFWFLSA-N -1 0 327.380 3.536 20 0 EHADRM CC[C@H](C)[C@H](C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000236983369 960822908 /nfs/dbraw/zinc/82/29/08/960822908.db2.gz PCAIAWVXRRDCLP-BXWFABGCSA-N -1 0 331.456 3.920 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000237023094 960840067 /nfs/dbraw/zinc/84/00/67/960840067.db2.gz YBPVCZYJJAPJNO-UHFFFAOYSA-N -1 0 348.402 3.839 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000237025135 960840091 /nfs/dbraw/zinc/84/00/91/960840091.db2.gz KQEVOIMCCSFGCR-HOCLYGCPSA-N -1 0 335.469 3.661 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)Cc1cccc2ccccc21 ZINC000237034912 960846608 /nfs/dbraw/zinc/84/66/08/960846608.db2.gz GJGHONYZBVTVLQ-UHFFFAOYSA-N -1 0 333.387 3.739 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)/C=C(/C)c1ccc(C(F)(F)F)cc1 ZINC000237052094 960855381 /nfs/dbraw/zinc/85/53/81/960855381.db2.gz WDHGWZSJNUXJED-UCQJPZFISA-N -1 0 343.345 3.820 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cccc(C(F)(F)F)c1 ZINC000237059464 960859076 /nfs/dbraw/zinc/85/90/76/960859076.db2.gz KLVRJNVPCDZXIU-UHFFFAOYSA-N -1 0 337.297 3.676 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000237252329 960895330 /nfs/dbraw/zinc/89/53/30/960895330.db2.gz CCTINAUMQKRRRT-ZDUSSCGKSA-N -1 0 341.407 3.909 20 0 EHADRM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000237308660 960907864 /nfs/dbraw/zinc/90/78/64/960907864.db2.gz QSQSNOKGCSGIFL-LSDHHAIUSA-N -1 0 345.782 3.789 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC001573812884 960911478 /nfs/dbraw/zinc/91/14/78/960911478.db2.gz HSPMXQDIUBVWSR-VQHPVUNQSA-N -1 0 339.476 3.606 20 0 EHADRM COc1ccc(/C(C)=C/C(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000237337984 960911954 /nfs/dbraw/zinc/91/19/54/960911954.db2.gz URDUVQFDQMNVGQ-BUHFOSPRSA-N -1 0 339.391 3.754 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)Nc1cc(F)cc(F)c1)C(=O)[O-] ZINC000237382857 960922307 /nfs/dbraw/zinc/92/23/07/960922307.db2.gz SGCAGYJBXZFMRP-SECBINFHSA-N -1 0 337.347 3.782 20 0 EHADRM Cc1cc(NC(=O)N2CCn3c(cc4ccccc43)C2)ccc1C(=O)[O-] ZINC001574338308 960924761 /nfs/dbraw/zinc/92/47/61/960924761.db2.gz MHTBIUZXYYZZBW-UHFFFAOYSA-N -1 0 349.390 3.696 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)C[C@@H](C)c2ccc(F)cc2)cc1 ZINC001319309321 960936856 /nfs/dbraw/zinc/93/68/56/960936856.db2.gz HVTNRBWOABNBCS-RDTXWAMCSA-N -1 0 343.398 3.960 20 0 EHADRM C[C@@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1cc2ccccc2o1 ZINC000237447035 960937168 /nfs/dbraw/zinc/93/71/68/960937168.db2.gz WGAITAKNMINKHA-CYBMUJFWSA-N -1 0 337.375 3.893 20 0 EHADRM Cc1ccc(CN(C)C(=O)c2ccccc2S[C@@H](C)C(=O)[O-])cc1 ZINC000237548912 960957882 /nfs/dbraw/zinc/95/78/82/960957882.db2.gz GWQZFZOADGCJNQ-AWEZNQCLSA-N -1 0 343.448 3.832 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)Nc3ccc(C(=O)[O-])c(C)c3)cc2)nn1 ZINC001574347473 960971286 /nfs/dbraw/zinc/97/12/86/960971286.db2.gz HLOUDRKDSKGNGT-UHFFFAOYSA-N -1 0 347.374 3.711 20 0 EHADRM Cc1ccn(-c2cccc(C(=O)Nc3cc(C(=O)[O-])c(C)cc3C)c2)n1 ZINC001320668202 960983880 /nfs/dbraw/zinc/98/38/80/960983880.db2.gz IACKFWNVOCZPFZ-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(C(=O)[O-])o2)cc1NC(=O)C(C)(C)C ZINC000237658362 960988228 /nfs/dbraw/zinc/98/82/28/960988228.db2.gz KYLVSKSEJKYCCA-UHFFFAOYSA-N -1 0 344.367 3.523 20 0 EHADRM Cc1ccc(C2=CCN(C(=O)/C=C\c3ccc(C(=O)[O-])o3)CC2)cc1 ZINC001574360567 961023539 /nfs/dbraw/zinc/02/35/39/961023539.db2.gz DQZXBPPQXLPCTA-CLFYSBASSA-N -1 0 337.375 3.615 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000238003247 961071532 /nfs/dbraw/zinc/07/15/32/961071532.db2.gz QWYLAEYTULAGIZ-LLVKDONJSA-N -1 0 344.238 3.639 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cn1 ZINC000238048952 961086548 /nfs/dbraw/zinc/08/65/48/961086548.db2.gz SSVOKOPAGVDLQJ-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(OC3CCCC3)c2)cc1 ZINC000238055249 961087511 /nfs/dbraw/zinc/08/75/11/961087511.db2.gz WKLSCSTVMGDYQJ-UHFFFAOYSA-N -1 0 325.364 3.959 20 0 EHADRM CC(C)(C)OC(=O)c1ccsc1NC(=O)c1cccc(C(=O)[O-])c1 ZINC001588731344 961088350 /nfs/dbraw/zinc/08/83/50/961088350.db2.gz CJTKDAJOGFWAAU-UHFFFAOYSA-N -1 0 347.392 3.654 20 0 EHADRM CCCCn1ncc(NC(=O)Nc2cncc(C(=O)[O-])c2)c1C(C)C ZINC001573848039 961103636 /nfs/dbraw/zinc/10/36/36/961103636.db2.gz GNLFBIPDAGCPOH-UHFFFAOYSA-N -1 0 345.403 3.544 20 0 EHADRM Cc1ccc2[nH]cc(CCNC(=O)C3(C(=O)[O-])CCCCCC3)c2c1 ZINC001574382149 961110466 /nfs/dbraw/zinc/11/04/66/961110466.db2.gz NQMDHRRKYRHYDV-UHFFFAOYSA-N -1 0 342.439 3.560 20 0 EHADRM O=C([O-])CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C1CCCCC1 ZINC000238125208 961112711 /nfs/dbraw/zinc/11/27/11/961112711.db2.gz PANLZPSERKRMBR-UHFFFAOYSA-N -1 0 343.345 3.699 20 0 EHADRM Cc1ccc2c(c1C)N(C(=O)c1coc(/C=C/C(=O)[O-])c1)CCC2 ZINC001574383761 961126236 /nfs/dbraw/zinc/12/62/36/961126236.db2.gz KIKWUMRJSHRWTD-BQYQJAHWSA-N -1 0 325.364 3.587 20 0 EHADRM CC(C)(C)c1cc2cccnc2c(NC(=O)[C@@H](C(=O)[O-])C2CC2)c1 ZINC001588739234 961146807 /nfs/dbraw/zinc/14/68/07/961146807.db2.gz HKLXLSOBRXRADE-HNNXBMFYSA-N -1 0 326.396 3.582 20 0 EHADRM Cc1cc(C(=O)N(CC(=O)[O-])C2CCCCC2)c2ccc(F)cc2n1 ZINC001327458413 961164726 /nfs/dbraw/zinc/16/47/26/961164726.db2.gz GRFLUWYOPSPLNN-UHFFFAOYSA-N -1 0 344.386 3.542 20 0 EHADRM O=C([O-])c1cccc(NC(=S)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000240716096 961172500 /nfs/dbraw/zinc/17/25/00/961172500.db2.gz ANVIJUXYDPVTMP-UHFFFAOYSA-N -1 0 330.453 3.640 20 0 EHADRM CCOc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000246021075 961190846 /nfs/dbraw/zinc/19/08/46/961190846.db2.gz UZFZSQKEYCISOQ-NUJGCVRESA-N -1 0 345.439 3.640 20 0 EHADRM Cc1cc2c(CC(=O)N(C)C(C)(C)CC(=O)[O-])csc2s1 ZINC001329213846 961246045 /nfs/dbraw/zinc/24/60/45/961246045.db2.gz AOQVHFFKZLAOIW-UHFFFAOYSA-N -1 0 325.455 3.525 20 0 EHADRM Cc1cnc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)cc1C ZINC001574410830 961279467 /nfs/dbraw/zinc/27/94/67/961279467.db2.gz MSRHCGKRSSXCCQ-UHFFFAOYSA-N -1 0 330.409 3.589 20 0 EHADRM Cc1ccoc1C(=O)Nc1sc2c(c1C(=O)[O-])C[C@H](C)O[C@H]2C ZINC001574411425 961296867 /nfs/dbraw/zinc/29/68/67/961296867.db2.gz ZLZWTBBTFIWVON-IUCAKERBSA-N -1 0 335.381 3.622 20 0 EHADRM Cc1coc(C(=O)Nc2sc3c(c2C(=O)[O-])C[C@H](C)O[C@H]3C)c1 ZINC001574412754 961303645 /nfs/dbraw/zinc/30/36/45/961303645.db2.gz UJDCTTODBSGIJQ-IUCAKERBSA-N -1 0 335.381 3.622 20 0 EHADRM C[C@@H](C(=O)N(C)C(C)(C)CC(=O)[O-])c1c(Cl)cccc1Cl ZINC001331050668 961364678 /nfs/dbraw/zinc/36/46/78/961364678.db2.gz WUUHNSJEWLQHLT-SECBINFHSA-N -1 0 332.227 3.809 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000261536604 961379583 /nfs/dbraw/zinc/37/95/83/961379583.db2.gz WIYMJTVEPKSVJD-UHFFFAOYSA-N -1 0 327.380 3.849 20 0 EHADRM CCOC(=O)Nc1ccc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001573900541 961417916 /nfs/dbraw/zinc/41/79/16/961417916.db2.gz XGLKOMBTFRUNFW-UHFFFAOYSA-N -1 0 342.351 3.514 20 0 EHADRM CC(C)Sc1ccccc1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000262061075 961422529 /nfs/dbraw/zinc/42/25/29/961422529.db2.gz YZFWGVYGKVZSNA-MRXNPFEDSA-N -1 0 343.448 3.613 20 0 EHADRM Cc1ccc([C@H]2CCCCCN2C(=O)Cc2cccc(C(=O)[O-])c2)o1 ZINC000262073310 961431821 /nfs/dbraw/zinc/43/18/21/961431821.db2.gz ARDWIYRNDMAYNX-QGZVFWFLSA-N -1 0 341.407 3.973 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000262086622 961445880 /nfs/dbraw/zinc/44/58/80/961445880.db2.gz CAOXBOZTKNVMDU-OAHLLOKOSA-N -1 0 337.419 3.772 20 0 EHADRM C[C@@H]1CCN(C(=O)CCc2ccccc2C(=O)[O-])[C@H](c2ccco2)C1 ZINC000262119923 961476378 /nfs/dbraw/zinc/47/63/78/961476378.db2.gz JOTWTAKJXSYIST-PBHICJAKSA-N -1 0 341.407 3.910 20 0 EHADRM CC[C@@H](CNC(=O)CCc1ccccc1C(=O)[O-])c1ccccc1 ZINC000262154401 961505693 /nfs/dbraw/zinc/50/56/93/961505693.db2.gz JXQXFZASRAVOTO-HNNXBMFYSA-N -1 0 325.408 3.627 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001588812872 961533126 /nfs/dbraw/zinc/53/31/26/961533126.db2.gz QIOJHAKNNPQVIH-YLJYHZDGSA-N -1 0 331.456 3.605 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000262198450 961544490 /nfs/dbraw/zinc/54/44/90/961544490.db2.gz OHGQSGBKKRNJIC-MAUKXSAKSA-N -1 0 329.440 3.804 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)OCc1cc(Br)ccc1Cl ZINC001588814063 961546762 /nfs/dbraw/zinc/54/67/62/961546762.db2.gz PKNAMXWLGZQCMB-NSHDSACASA-N -1 0 349.608 3.503 20 0 EHADRM O=C([O-])[C@H](CC1CC1)NC(=O)CCCc1csc2ccccc12 ZINC000262282407 961617925 /nfs/dbraw/zinc/61/79/25/961617925.db2.gz YUYABQFVKAHYGN-HNNXBMFYSA-N -1 0 331.437 3.594 20 0 EHADRM CC(C)[C@H](CNC(=O)N(CCc1ccccc1)C1CCCC1)C(=O)[O-] ZINC001588821526 961627490 /nfs/dbraw/zinc/62/74/90/961627490.db2.gz KILSCJHJRINBKL-SFHVURJKSA-N -1 0 346.471 3.540 20 0 EHADRM CC(C)[C@@H](CNC(=O)N1CCC(C)(C)[C@@H](c2ccccc2)C1)C(=O)[O-] ZINC001588822234 961635581 /nfs/dbraw/zinc/63/55/81/961635581.db2.gz GHECTKAGSMZXSI-IAGOWNOFSA-N -1 0 346.471 3.569 20 0 EHADRM CC(C)c1ccc(C(=O)N(C)Cc2ccc(OCC(=O)[O-])cc2)cc1 ZINC000262317337 961639005 /nfs/dbraw/zinc/63/90/05/961639005.db2.gz CCFBBWYBWIRTJM-UHFFFAOYSA-N -1 0 341.407 3.546 20 0 EHADRM O=C([O-])CC1(NC(=O)CCSc2ccccc2Cl)CCCC1 ZINC000262350254 961662324 /nfs/dbraw/zinc/66/23/24/961662324.db2.gz VCSMJAOKYAOYKX-UHFFFAOYSA-N -1 0 341.860 3.726 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2ccc(Cn3cccc3)cc2)c1 ZINC001333302500 961672457 /nfs/dbraw/zinc/67/24/57/961672457.db2.gz UFHUKQVHTCRXOJ-UHFFFAOYSA-N -1 0 348.402 3.806 20 0 EHADRM CC(C)[C@H](CNC(=O)Nc1ccc(COC2CCCC2)cc1)C(=O)[O-] ZINC001588827454 961680060 /nfs/dbraw/zinc/68/00/60/961680060.db2.gz VUCILFFVKUUNLW-KRWDZBQOSA-N -1 0 348.443 3.624 20 0 EHADRM CC(C)[C@@H](CNC(=O)Nc1cc(Cl)cc(Cl)c1F)C(=O)[O-] ZINC001588827327 961680338 /nfs/dbraw/zinc/68/03/38/961680338.db2.gz QVRWGECDOJZFQQ-MRVPVSSYSA-N -1 0 337.178 3.611 20 0 EHADRM Cc1ccc(C)c(OCCCCC(=O)N2CCC(CC(=O)[O-])CC2)c1 ZINC000262401207 961699383 /nfs/dbraw/zinc/69/93/83/961699383.db2.gz HIWJDEJFHOJPIO-UHFFFAOYSA-N -1 0 347.455 3.566 20 0 EHADRM CC(C)c1ccc(C2(C(=O)N3CCC(C(=O)[O-])CC3)CCC2)cc1 ZINC001333756349 961726140 /nfs/dbraw/zinc/72/61/40/961726140.db2.gz KCMVTSCPGMBDEB-UHFFFAOYSA-N -1 0 329.440 3.555 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2CCc2ccccc2)c(F)c1 ZINC000262484379 961746488 /nfs/dbraw/zinc/74/64/88/961746488.db2.gz YLWVQACLGXOWLT-MRXNPFEDSA-N -1 0 341.382 3.761 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)Nc2ccc(Cc3ccncc3)cc2)o1 ZINC001574513168 961821743 /nfs/dbraw/zinc/82/17/43/961821743.db2.gz GPTUKZFPXLQHMU-VURMDHGXSA-N -1 0 348.358 3.616 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)Nc2ccc3oc(C4CC4)nc3c2)o1 ZINC001574514050 961831676 /nfs/dbraw/zinc/83/16/76/961831676.db2.gz RTUAZKMACXESJL-VMPITWQZSA-N -1 0 338.319 3.648 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)CC[C@H](C)c1ccccc1 ZINC000262830001 961895453 /nfs/dbraw/zinc/89/54/53/961895453.db2.gz BDNKPLRLZOSHMF-ZDUSSCGKSA-N -1 0 327.380 3.916 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)Cc1csc2ccc(Cl)cc12 ZINC000262878695 961951696 /nfs/dbraw/zinc/95/16/96/961951696.db2.gz GVMGDALWZJUYAV-GFCCVEGCSA-N -1 0 337.828 3.563 20 0 EHADRM Cc1cc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)ccc1Br ZINC000262884380 961957334 /nfs/dbraw/zinc/95/73/34/961957334.db2.gz FZQQMCRXPHNGIT-XYPYZODXSA-N -1 0 340.217 3.587 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC001574555757 961981647 /nfs/dbraw/zinc/98/16/47/961981647.db2.gz HAMDKDLDLATIEV-TTZDDIAXSA-N -1 0 335.831 3.593 20 0 EHADRM O=C([O-])CC1CC(Nc2cccc(C[S@@](=O)c3ccccc3)c2)C1 ZINC001339168840 962015010 /nfs/dbraw/zinc/01/50/10/962015010.db2.gz HRQZTWWIBQUEJP-NQVMDJNJSA-N -1 0 343.448 3.660 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000262940739 962026530 /nfs/dbraw/zinc/02/65/30/962026530.db2.gz PUUMATQOFOPJJF-KDOFPFPSSA-N -1 0 343.398 3.612 20 0 EHADRM Cc1cccc(OCCCCC(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])c1 ZINC000262944202 962028689 /nfs/dbraw/zinc/02/86/89/962028689.db2.gz LUSBVQZPPKJNCF-XLIONFOSSA-N -1 0 347.455 3.694 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)NCC[C@@H]2CC[C@H]3C[C@H]32)c1Cl ZINC001574567740 962047111 /nfs/dbraw/zinc/04/71/11/962047111.db2.gz NIQWWLAGAWUQQU-GUBZILKMSA-N -1 0 340.782 3.735 20 0 EHADRM CCCSCC(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000262975151 962063717 /nfs/dbraw/zinc/06/37/17/962063717.db2.gz JAMNQMRWOGIBAU-INIZCTEOSA-N -1 0 331.437 3.615 20 0 EHADRM C[C@@H](NC(=O)C1(C)CCCCCC1)c1ccc(OCC(=O)[O-])cc1 ZINC000263003029 962099154 /nfs/dbraw/zinc/09/91/54/962099154.db2.gz KXNFWHZDCZVUJX-CQSZACIVSA-N -1 0 333.428 3.688 20 0 EHADRM COc1ccc(C(=O)NCCC(C)(C)C(=O)[O-])cc1-c1ccccc1 ZINC001344493773 962178729 /nfs/dbraw/zinc/17/87/29/962178729.db2.gz VVPDKKKCMPLCQY-UHFFFAOYSA-N -1 0 341.407 3.593 20 0 EHADRM CC(C)C[C@@H](Nc1ccnc(CSc2ccccc2)n1)C(=O)[O-] ZINC001588887426 962184490 /nfs/dbraw/zinc/18/44/90/962184490.db2.gz NTRHDGFFQIGBDW-CQSZACIVSA-N -1 0 331.441 3.680 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@H](C)CCc1ccc(F)cc1)CC(=O)[O-] ZINC001588887762 962191466 /nfs/dbraw/zinc/19/14/66/962191466.db2.gz ZJYFUTYZVQRDLS-ZBFHGGJFSA-N -1 0 337.435 3.648 20 0 EHADRM COc1cc(NC(=O)[C@@H](c2ccccc2)C(C)C)ccc1C(=O)[O-] ZINC000263063591 962203123 /nfs/dbraw/zinc/20/31/23/962203123.db2.gz XMPUEPALJYIXDP-QGZVFWFLSA-N -1 0 327.380 3.772 20 0 EHADRM C[C@H](C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1)C(C)(C)C ZINC000263075830 962217448 /nfs/dbraw/zinc/21/74/48/962217448.db2.gz KJMVFWSJUSXLFD-BYCMXARLSA-N -1 0 337.847 3.649 20 0 EHADRM O=C([O-])[C@@H](NCc1cc2c(ccnc2Cl)o1)c1ccc(F)cc1 ZINC001574620704 962243076 /nfs/dbraw/zinc/24/30/76/962243076.db2.gz FWLNRZUNRLCINV-AWEZNQCLSA-N -1 0 334.734 3.536 20 0 EHADRM CC(C)(CCNC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000263099889 962250527 /nfs/dbraw/zinc/25/05/27/962250527.db2.gz UATPMXALHCGWCM-SJORKVTESA-N -1 0 325.408 3.560 20 0 EHADRM CCc1ccc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)cc1OC ZINC000263115969 962270082 /nfs/dbraw/zinc/27/00/82/962270082.db2.gz LLWOOPUPPAMPFH-UHFFFAOYSA-N -1 0 342.395 3.919 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC001588906244 962278232 /nfs/dbraw/zinc/27/82/32/962278232.db2.gz SRXRQJBWVYVZGO-RDJZCZTQSA-N -1 0 331.456 3.702 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC001588906245 962278361 /nfs/dbraw/zinc/27/83/61/962278361.db2.gz SRXRQJBWVYVZGO-WBVHZDCISA-N -1 0 331.456 3.702 20 0 EHADRM CC(C)Cc1ccc([C@@H](NC(=O)N2CC[C@H](C(=O)[O-])C2)C(C)C)cc1 ZINC001588906332 962280689 /nfs/dbraw/zinc/28/06/89/962280689.db2.gz ZFZYFWRVDPIBJO-ROUUACIJSA-N -1 0 346.471 3.698 20 0 EHADRM C[C@H](CC(=O)NCCC(C)(C)C(=O)[O-])c1ccccc1C(F)(F)F ZINC000263141377 962295198 /nfs/dbraw/zinc/29/51/98/962295198.db2.gz WRHIMTBKDMBGQS-LLVKDONJSA-N -1 0 345.361 3.816 20 0 EHADRM CC(C)Cn1ccc2c1cccc2C(=O)N1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC001588911651 962318314 /nfs/dbraw/zinc/31/83/14/962318314.db2.gz LHEUUVNGLFRTIM-KSSFIOAISA-N -1 0 342.439 3.623 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2cccs2)C1 ZINC000263168076 962321165 /nfs/dbraw/zinc/32/11/65/962321165.db2.gz FNWBSXYVFXOEKP-XHSDSOJGSA-N -1 0 343.448 3.649 20 0 EHADRM CC(C)N(C(=O)[C@H]1CC[C@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001588912185 962325344 /nfs/dbraw/zinc/32/53/44/962325344.db2.gz DXLLAGRQSPUQDX-QWHCGFSZSA-N -1 0 329.318 3.558 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)NCc1ccc(C(=O)[O-])s1 ZINC000263203047 962359818 /nfs/dbraw/zinc/35/98/18/962359818.db2.gz MQFADXKNUQPXOU-JTQLQIEISA-N -1 0 337.828 3.595 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)NCc2ccc(C(=O)[O-])s2)cc1 ZINC000263221153 962373827 /nfs/dbraw/zinc/37/38/27/962373827.db2.gz PBXTYYGIUDKPJJ-UHFFFAOYSA-N -1 0 333.409 3.554 20 0 EHADRM CCc1ccccc1CC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000263225373 962377703 /nfs/dbraw/zinc/37/77/03/962377703.db2.gz ZXGHPROAEMJXEY-UHFFFAOYSA-N -1 0 343.448 3.748 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)C[C@H]2CCc3ccccc3C2)cc1F ZINC000263246564 962391919 /nfs/dbraw/zinc/39/19/19/962391919.db2.gz SHQWXVXTXZVQFG-ZDUSSCGKSA-N -1 0 341.382 3.587 20 0 EHADRM Cc1ccccc1OCCCC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000263292300 962431725 /nfs/dbraw/zinc/43/17/25/962431725.db2.gz MJRPTAYMUXCCKF-OAHLLOKOSA-N -1 0 341.407 3.981 20 0 EHADRM CN(C(=O)c1cc2c(s1)-c1ccccc1CC2)C(C)(C)CC(=O)[O-] ZINC001347928706 962433004 /nfs/dbraw/zinc/43/30/04/962433004.db2.gz LGXCRAONAPOEAX-UHFFFAOYSA-N -1 0 343.448 3.839 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2ccccc2OCC2CC2)c1 ZINC000263294451 962434183 /nfs/dbraw/zinc/43/41/83/962434183.db2.gz MUCKNTVXWVUKPB-ZDUSSCGKSA-N -1 0 339.391 3.916 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000263295957 962439750 /nfs/dbraw/zinc/43/97/50/962439750.db2.gz NBQGETYADNHCRL-KDOFPFPSSA-N -1 0 341.407 3.979 20 0 EHADRM CCCN(Cc1c(F)cccc1Cl)C(=O)CCCCC(=O)[O-] ZINC000263322768 962465543 /nfs/dbraw/zinc/46/55/43/962465543.db2.gz RTZAXCUCCHKURO-UHFFFAOYSA-N -1 0 329.799 3.863 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)c1 ZINC000263330672 962476747 /nfs/dbraw/zinc/47/67/47/962476747.db2.gz PUNVYSYNHSCWGG-CIISACIHSA-N -1 0 345.345 3.895 20 0 EHADRM COc1ccccc1[C@H](NC(=O)CCCCC(=O)[O-])c1ccccc1 ZINC000263338508 962488219 /nfs/dbraw/zinc/48/82/19/962488219.db2.gz WWUIBOFJAROUCH-HXUWFJFHSA-N -1 0 341.407 3.546 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)N2CCCSc3ccccc32)co1 ZINC001574665381 962500541 /nfs/dbraw/zinc/50/05/41/962500541.db2.gz FTGFPLQXZRPBPZ-VOTSOKGWSA-N -1 0 329.377 3.520 20 0 EHADRM CC[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000263348588 962500995 /nfs/dbraw/zinc/50/09/95/962500995.db2.gz OTGCVOXXCWBJJE-HNNXBMFYSA-N -1 0 325.408 3.755 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cccc(COC3CCCCC3)c2)C1 ZINC000263351147 962503266 /nfs/dbraw/zinc/50/32/66/962503266.db2.gz VQKLZOHLMWQBOK-JKSUJKDBSA-N -1 0 345.439 3.975 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)NCc2ccc(C3CCC3)cc2)co1 ZINC001574665736 962506806 /nfs/dbraw/zinc/50/68/06/962506806.db2.gz LMJZPQWKJGDFKQ-HJWRWDBZSA-N -1 0 325.364 3.575 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)CC2CC(c3ccccc3)C2)cc1 ZINC000263359984 962515803 /nfs/dbraw/zinc/51/58/03/962515803.db2.gz TWPYXEWRSBQHJJ-UHFFFAOYSA-N -1 0 337.419 3.627 20 0 EHADRM Cn1c(C(=O)[O-])ccc1[C@H]1CCCCN1C(=O)CCCC(C)(C)C ZINC001349996192 962530431 /nfs/dbraw/zinc/53/04/31/962530431.db2.gz IOGCDBZDSHSFPF-OAHLLOKOSA-N -1 0 334.460 3.993 20 0 EHADRM O=C([O-])CCCNC(=O)NC1(c2c(Cl)cccc2Cl)CCC1 ZINC000263379142 962536761 /nfs/dbraw/zinc/53/67/61/962536761.db2.gz CMQDNPQRNWZOMC-UHFFFAOYSA-N -1 0 345.226 3.537 20 0 EHADRM C[C@](NCc1csc(-c2ccsc2)n1)(C(=O)[O-])c1ccccc1 ZINC001350602167 962548880 /nfs/dbraw/zinc/54/88/80/962548880.db2.gz VXIDGAKLGXGQBF-QGZVFWFLSA-N -1 0 344.461 3.961 20 0 EHADRM O=C([O-])CC1(C(=O)Nc2ccc(N3CCCCCC3)cc2)CCC1 ZINC001574671765 962555734 /nfs/dbraw/zinc/55/57/34/962555734.db2.gz XUNGQLREVYJESR-UHFFFAOYSA-N -1 0 330.428 3.651 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)Nc2ccc3ccnc(Cl)c3c2)C1 ZINC001574680402 962581338 /nfs/dbraw/zinc/58/13/38/962581338.db2.gz ZYURMBUBTIQWNZ-LLVKDONJSA-N -1 0 347.802 3.607 20 0 EHADRM CC(C)CN(C(=O)NCCCC(=O)[O-])[C@@H](C)c1ccccc1Cl ZINC000263444085 962626977 /nfs/dbraw/zinc/62/69/77/962626977.db2.gz FJRRIKKYZKWHAL-ZDUSSCGKSA-N -1 0 340.851 3.933 20 0 EHADRM O=C([O-])CCCCC(=O)OCc1cc(Cl)ccc1OC(F)F ZINC001574699892 962677874 /nfs/dbraw/zinc/67/78/74/962677874.db2.gz YSEDAKBYGXZYRM-UHFFFAOYSA-N -1 0 336.718 3.630 20 0 EHADRM C[C@@H](NCc1ccc(/C=C\C(=O)[O-])o1)c1nc(C(C)(C)C)cs1 ZINC001353921642 962678180 /nfs/dbraw/zinc/67/81/80/962678180.db2.gz JUKOMFSJIITHPD-SKVAFPRGSA-N -1 0 334.441 3.982 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)s1 ZINC000263532841 962713887 /nfs/dbraw/zinc/71/38/87/962713887.db2.gz NFRQKLLTCIBUCZ-WCQYABFASA-N -1 0 333.384 3.652 20 0 EHADRM CC(C)n1cc2cc(NC(=O)/C=C\c3ccc(C(=O)[O-])o3)ccc2n1 ZINC001588982452 962742155 /nfs/dbraw/zinc/74/21/55/962742155.db2.gz DLFKCURDJRURDV-YVMONPNESA-N -1 0 339.351 3.560 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N1CCC(c2ccsc2)CC1 ZINC000263581850 962748680 /nfs/dbraw/zinc/74/86/80/962748680.db2.gz XSKAMJRXWZPXJR-UHFFFAOYSA-N -1 0 343.448 3.785 20 0 EHADRM COc1c(C)cc(Cl)cc1NC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC001574175692 962789331 /nfs/dbraw/zinc/78/93/31/962789331.db2.gz WMJIJVFPCOOUEK-LLVKDONJSA-N -1 0 342.823 3.525 20 0 EHADRM C/C(=C/c1c(Cl)cccc1Cl)C(=O)N(CC(=O)[O-])C(C)C ZINC001573340739 962901065 /nfs/dbraw/zinc/90/10/65/962901065.db2.gz YUYVDCRARXSYRX-YFHOEESVSA-N -1 0 330.211 3.718 20 0 EHADRM CC(C)c1[nH]ccc1C(=O)N1CCCC[C@@H]1c1ccc(C(=O)[O-])n1C ZINC001526765519 962906245 /nfs/dbraw/zinc/90/62/45/962906245.db2.gz GUDBJDPXKZNLDF-OAHLLOKOSA-N -1 0 343.427 3.542 20 0 EHADRM COc1ccc(NC(=O)NCCCCCC(=O)[O-])c2ccccc12 ZINC001574219046 962955490 /nfs/dbraw/zinc/95/54/90/962955490.db2.gz RVAKMKNMNQZSFQ-UHFFFAOYSA-N -1 0 330.384 3.615 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001549911208 962982158 /nfs/dbraw/zinc/98/21/58/962982158.db2.gz NSJRWUOZZBXGNJ-BEFAXECRSA-N -1 0 349.858 3.765 20 0 EHADRM CCC(C)(C)OCCNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC000308493713 963280932 /nfs/dbraw/zinc/28/09/32/963280932.db2.gz AYRWNLMFTVLYBA-UHFFFAOYSA-N -1 0 330.768 3.564 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)CCSc1ccc(Cl)cc1 ZINC000314483741 963759299 /nfs/dbraw/zinc/75/92/99/963759299.db2.gz PWGRGHVZNVBERF-CYBMUJFWSA-N -1 0 341.860 3.678 20 0 EHADRM CCCC[C@H](NC(=O)CCOc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000314552128 963768243 /nfs/dbraw/zinc/76/82/43/963768243.db2.gz ZCNIGVWPOYYCAK-ZDUSSCGKSA-N -1 0 348.226 3.522 20 0 EHADRM Cn1c(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc(Cl)c1Cl ZINC000314561397 963770041 /nfs/dbraw/zinc/77/00/41/963770041.db2.gz MFMZQFWWJQXMIJ-UHFFFAOYSA-N -1 0 349.120 3.561 20 0 EHADRM C[C@@H](Nc1ccc(OCC(F)(F)F)cc1)c1ncc(C(=O)[O-])s1 ZINC000315014810 963844465 /nfs/dbraw/zinc/84/44/65/963844465.db2.gz SQIFGHXHFONBKB-MRVPVSSYSA-N -1 0 346.330 3.956 20 0 EHADRM Cc1oc(CNC(=O)N[C@@H](C)c2ccc(Cl)s2)cc1C(=O)[O-] ZINC000315033838 963847783 /nfs/dbraw/zinc/84/77/83/963847783.db2.gz VWUFUZTVZFJHFR-ZETCQYMHSA-N -1 0 342.804 3.562 20 0 EHADRM O=C([O-])[C@H]1CCCN(c2nc(-c3ccccc3)nc3ccccc32)C1 ZINC000205505012 967685685 /nfs/dbraw/zinc/68/56/85/967685685.db2.gz XDUPZVNNXFSZJR-HNNXBMFYSA-N -1 0 333.391 3.598 20 0 EHADRM O=C([O-])c1ccc(Br)c(NC(=O)c2cccc(F)c2)c1 ZINC000236481443 967777521 /nfs/dbraw/zinc/77/75/21/967777521.db2.gz HIUOYMKUGBKASE-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC[C@H]3C(=O)[O-])cn2)c1C ZINC000262653275 967825293 /nfs/dbraw/zinc/82/52/93/967825293.db2.gz KYMSBEMFRAQLHP-HUUCEWRRSA-N -1 0 340.379 3.540 20 0 EHADRM C[C@H](CN(C)C(=O)NCc1ccc(C2CCCCC2)cc1)C(=O)[O-] ZINC000263409329 967888477 /nfs/dbraw/zinc/88/84/77/967888477.db2.gz ULDUWUDKSNBYCI-CQSZACIVSA-N -1 0 332.444 3.596 20 0 EHADRM O=C([O-])C1CCC(NC(=O)NC[C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000263428098 967890624 /nfs/dbraw/zinc/89/06/24/967890624.db2.gz YHKXLQPACOTJFF-GPQLOAJWSA-N -1 0 344.455 3.513 20 0 EHADRM CC(C)[C@H](CNC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000315822241 967974563 /nfs/dbraw/zinc/97/45/63/967974563.db2.gz FTGQIUXLESWYRN-SKDRFNHKSA-N -1 0 347.242 3.710 20 0 EHADRM Cc1ccc(SCCC(=O)Nc2ccnc(C(=O)[O-])c2)cc1C ZINC000390248726 968177545 /nfs/dbraw/zinc/17/75/45/968177545.db2.gz WECGRBAZNQXXRX-UHFFFAOYSA-N -1 0 330.409 3.518 20 0 EHADRM Cc1c(NC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cccc1C(F)(F)F ZINC000517145683 968392357 /nfs/dbraw/zinc/39/23/57/968392357.db2.gz QASBVBMKPOJCHN-ONGXEEELSA-N -1 0 344.333 3.588 20 0 EHADRM CC(C)(C)c1ccc(CCC(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000532875731 968400759 /nfs/dbraw/zinc/40/07/59/968400759.db2.gz HJKBSURIRRBMOY-INIZCTEOSA-N -1 0 331.456 3.630 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000566604526 968431313 /nfs/dbraw/zinc/43/13/13/968431313.db2.gz RMPNJGCNEGFPNC-SECBINFHSA-N -1 0 349.736 3.686 20 0 EHADRM Cc1ccc(NC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1C(F)(F)F ZINC000580193387 968472536 /nfs/dbraw/zinc/47/25/36/968472536.db2.gz ZMQXEQQKCWOMIJ-JOYOIKCWSA-N -1 0 344.333 3.588 20 0 EHADRM CCCCOc1ccccc1NC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000580420186 968472591 /nfs/dbraw/zinc/47/25/91/968472591.db2.gz BWFBVTNCHPLQOC-CQSZACIVSA-N -1 0 334.416 3.584 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cccc(OC3CCCC3)c2)C[C@H]1C(=O)[O-] ZINC000584530274 968483094 /nfs/dbraw/zinc/48/30/94/968483094.db2.gz UFSNJAAJGUQLIY-CXAGYDPISA-N -1 0 346.427 3.583 20 0 EHADRM CC(C)C[C@@H](CNC(=O)CCc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000630140927 968528459 /nfs/dbraw/zinc/52/84/59/968528459.db2.gz CNHRPVYWZYMYQG-ZDUSSCGKSA-N -1 0 345.361 3.501 20 0 EHADRM COc1cc(-c2ccccc2)sc1C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000655572554 968683544 /nfs/dbraw/zinc/68/35/44/968683544.db2.gz CKRQHYWOFUGURD-CYBMUJFWSA-N -1 0 347.436 3.510 20 0 EHADRM C[C@H](NC(=O)N(C)CCC1CCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655907579 968714024 /nfs/dbraw/zinc/71/40/24/968714024.db2.gz QUIGSBZUASJGCI-CWRNSKLLSA-N -1 0 338.492 3.734 20 0 EHADRM CC(C)[C@H](NC(=O)NCC1(C(=O)[O-])CCC1)c1ccccc1Cl ZINC000659397829 968732780 /nfs/dbraw/zinc/73/27/80/968732780.db2.gz NHYRHSGIIPBSEC-AWEZNQCLSA-N -1 0 338.835 3.591 20 0 EHADRM C[C@H](NC(=O)[C@@]1(c2ccccc2)CC1(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000659767529 968747180 /nfs/dbraw/zinc/74/71/80/968747180.db2.gz QOMTZWIMRNQASZ-VHQFLLTFSA-N -1 0 343.467 3.606 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000663089738 968797106 /nfs/dbraw/zinc/79/71/06/968797106.db2.gz AEYDUEWLUZOVGH-IBGZPJMESA-N -1 0 331.412 3.585 20 0 EHADRM C[C@@H]1CCN(C(=O)c2sccc2-c2ccc(F)cc2)C[C@@H]1C(=O)[O-] ZINC000843334513 969238402 /nfs/dbraw/zinc/23/84/02/969238402.db2.gz AFCCMSUQMACSGX-ABAIWWIYSA-N -1 0 347.411 3.737 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)c2ccc3c(c2)-c2ccccc2C3)CC1 ZINC000843336751 969239605 /nfs/dbraw/zinc/23/96/05/969239605.db2.gz JDDIZXJGIIKVON-UHFFFAOYSA-N -1 0 335.403 3.585 20 0 EHADRM CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000851601937 969274288 /nfs/dbraw/zinc/27/42/88/969274288.db2.gz YBJOKSWLIVUXEJ-RDJZCZTQSA-N -1 0 333.428 3.628 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)C1CC1 ZINC000864109894 969315321 /nfs/dbraw/zinc/31/53/21/969315321.db2.gz ZJKMVEWXRRDCCL-CKDFRHGISA-N -1 0 325.364 3.567 20 0 EHADRM CC1(C)C[C@@H](C(=O)Nc2cccc(CC(=O)[O-])c2)c2ccccc2O1 ZINC000909334091 969623169 /nfs/dbraw/zinc/62/31/69/969623169.db2.gz YKNANSHFSACINO-MRXNPFEDSA-N -1 0 339.391 3.597 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1F ZINC001319355139 969698122 /nfs/dbraw/zinc/69/81/22/969698122.db2.gz BBDUECWOYGEUFL-SNVBAGLBSA-N -1 0 335.762 3.739 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)c2cccc(F)c2Cl)c1F ZINC000319826435 970577576 /nfs/dbraw/zinc/57/75/76/970577576.db2.gz CLZNDCZQDDISCI-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM Cc1sc(NC(=O)c2cc([N+](=O)[O-])ccc2C)c(C(=O)[O-])c1C ZINC000320230248 970634128 /nfs/dbraw/zinc/63/41/28/970634128.db2.gz MEXLURIGIKQKQL-UHFFFAOYSA-N -1 0 334.353 3.532 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@@H]1CCCc2sccc21 ZINC000320283918 970643092 /nfs/dbraw/zinc/64/30/92/970643092.db2.gz OOVZFKFVMUGZHD-CYBMUJFWSA-N -1 0 330.409 3.954 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccc(C(=O)[O-])cc2F)[C@@H]1c1ccncc1 ZINC001610047779 970646341 /nfs/dbraw/zinc/64/63/41/970646341.db2.gz WZYNCQHZNITEBP-OAHLLOKOSA-N -1 0 343.358 3.534 20 0 EHADRM Cc1oc(CNc2ccc([N+](=O)[O-])cc2C(F)F)cc1C(=O)[O-] ZINC000320387180 970656840 /nfs/dbraw/zinc/65/68/40/970656840.db2.gz CJHPZEKSZPAWDQ-UHFFFAOYSA-N -1 0 326.255 3.744 20 0 EHADRM CN(Cc1ccccc1F)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000320552234 970677865 /nfs/dbraw/zinc/67/78/65/970677865.db2.gz QGOGQOCJPKPIST-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM O=C([O-])c1ccc(SCC(=O)N2CCC[C@H]3CCCC[C@H]32)cc1 ZINC000320654413 970692280 /nfs/dbraw/zinc/69/22/80/970692280.db2.gz KPDKCLZNOUWQRM-CZUORRHYSA-N -1 0 333.453 3.658 20 0 EHADRM CCCCCN(C(C)C)S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000320660902 970693548 /nfs/dbraw/zinc/69/35/48/970693548.db2.gz WRGZGDUATHSHFR-UHFFFAOYSA-N -1 0 341.473 3.591 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000320780294 970714342 /nfs/dbraw/zinc/71/43/42/970714342.db2.gz HUPDSPHSECDQPS-RNCFNFMXSA-N -1 0 326.343 3.753 20 0 EHADRM CSCCCN1CC[C@H](C(=O)[O-])c2cc(Br)ccc21 ZINC001604958847 972544611 /nfs/dbraw/zinc/54/46/11/972544611.db2.gz QZLIKZGNPUIBEU-NSHDSACASA-N -1 0 344.274 3.581 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC000393460064 972599612 /nfs/dbraw/zinc/59/96/12/972599612.db2.gz WJFMHBBFBSHISD-PWSUYJOCSA-N -1 0 335.787 3.768 20 0 EHADRM CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)[C@H](C(=O)[O-])C1CC1 ZINC001604187076 972612835 /nfs/dbraw/zinc/61/28/35/972612835.db2.gz DIQNAFCZXYDDRL-MRXNPFEDSA-N -1 0 347.798 3.669 20 0 EHADRM CC1(C)C[C@@H](NC(=O)C2(C(=O)[O-])CCCCC2)c2ccc(F)cc2O1 ZINC001603315544 972625171 /nfs/dbraw/zinc/62/51/71/972625171.db2.gz FLHXWYGXQBJYLE-CQSZACIVSA-N -1 0 349.402 3.579 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCc1ccccc1Oc1ccccc1 ZINC001603321590 972643358 /nfs/dbraw/zinc/64/33/58/972643358.db2.gz UWHZXVVMWVEJHE-FQEVSTJZSA-N -1 0 339.391 3.596 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1)C(=O)[O-] ZINC001605042787 972660520 /nfs/dbraw/zinc/66/05/20/972660520.db2.gz ONMBIJVRRGWPMX-VIFPVBQESA-N -1 0 336.750 3.741 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccc(C(=O)[O-])cc2F)[C@H]1c1cccnc1 ZINC001603329341 972691640 /nfs/dbraw/zinc/69/16/40/972691640.db2.gz JOURWSGUTUGKHM-HNNXBMFYSA-N -1 0 343.358 3.534 20 0 EHADRM Cc1c(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cnc2ccccc12 ZINC001605076750 972707263 /nfs/dbraw/zinc/70/72/63/972707263.db2.gz CDXKSYAZAXFGLU-MRXNPFEDSA-N -1 0 328.412 3.553 20 0 EHADRM O=C([O-])[C@@H](C(=O)NCC1(c2ccccc2)CCCC1)C1CCCC1 ZINC001605898202 972710513 /nfs/dbraw/zinc/71/05/13/972710513.db2.gz PAJNSTCQFIHTSE-QGZVFWFLSA-N -1 0 329.440 3.506 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCc3c(F)cc(F)cc3[C@H]2C)c1 ZINC001605132659 972800157 /nfs/dbraw/zinc/80/01/57/972800157.db2.gz XUMOETPZALYSPN-LLVKDONJSA-N -1 0 345.345 3.731 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@H]2CCc3cc(F)c(F)c(F)c32)c1 ZINC001605138837 972805050 /nfs/dbraw/zinc/80/50/50/972805050.db2.gz QPUDBPXGRZUVPM-ZDUSSCGKSA-N -1 0 349.308 3.528 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2cnc(Oc3ccccc3)nc2)c1 ZINC001605141550 972822824 /nfs/dbraw/zinc/82/28/24/972822824.db2.gz ZYZGYVHSQXZAEB-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2nc3cc(Cl)ccc3s2)CC=CCC1 ZINC001605943943 972897727 /nfs/dbraw/zinc/89/77/27/972897727.db2.gz JMJUNFDSOACHLW-HNNXBMFYSA-N -1 0 336.800 3.699 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2nc3cc(Cl)ccc3s2)CC=CCC1 ZINC001605943944 972897965 /nfs/dbraw/zinc/89/79/65/972897965.db2.gz JMJUNFDSOACHLW-OAHLLOKOSA-N -1 0 336.800 3.699 20 0 EHADRM O=C([O-])C1(C(=O)OCc2cccc(SC(F)(F)F)c2)CCC1 ZINC001605951373 972914916 /nfs/dbraw/zinc/91/49/16/972914916.db2.gz JUBUGAMMKZAUJF-UHFFFAOYSA-N -1 0 334.315 3.597 20 0 EHADRM O=C([O-])[C@]1(C(=O)OCc2cnc(-c3ccccc3)s2)CC=CCC1 ZINC001605952452 972922455 /nfs/dbraw/zinc/92/24/55/972922455.db2.gz XANJLDBGQHUIBX-SFHVURJKSA-N -1 0 343.404 3.664 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC000396613881 972923157 /nfs/dbraw/zinc/92/31/57/972923157.db2.gz ICPBJKMGJWJVNR-KGLIPLIRSA-N -1 0 326.396 3.800 20 0 EHADRM CCc1ccccc1CNC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000396633190 972926446 /nfs/dbraw/zinc/92/64/46/972926446.db2.gz NOUTWNHARANMNC-CYBMUJFWSA-N -1 0 326.396 3.759 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1)CC(F)(F)F ZINC000396900047 972948994 /nfs/dbraw/zinc/94/89/94/972948994.db2.gz CQEYJSPUJBSXMC-UWVGGRQHSA-N -1 0 332.322 3.585 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1cccc(C(C)(F)F)c1 ZINC001603388138 972987277 /nfs/dbraw/zinc/98/72/77/972987277.db2.gz GEUYTADKAJWFKN-WDEREUQCSA-N -1 0 326.343 3.515 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1cccc(C(C)(F)F)c1 ZINC001603388136 972987335 /nfs/dbraw/zinc/98/73/35/972987335.db2.gz GEUYTADKAJWFKN-MNOVXSKESA-N -1 0 326.343 3.515 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001603391247 973005509 /nfs/dbraw/zinc/00/55/09/973005509.db2.gz GRZVZUUDNVTHKJ-WCXIOVBPSA-N -1 0 338.492 3.591 20 0 EHADRM Cc1ccc(C(F)(F)C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC001605256489 973026480 /nfs/dbraw/zinc/02/64/80/973026480.db2.gz ATTMBQJBUWJGKB-CVEARBPZSA-N -1 0 345.345 3.516 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)N[C@H](c2ccc(F)cc2)C2CCCCC2)C1 ZINC001605997361 973067819 /nfs/dbraw/zinc/06/78/19/973067819.db2.gz HVQKKNZVEBLKQA-RDJZCZTQSA-N -1 0 348.418 3.563 20 0 EHADRM O=C([O-])C1CCN(c2oc(-c3ccccc3)nc2C(F)(F)F)CC1 ZINC001606030424 973124445 /nfs/dbraw/zinc/12/44/45/973124445.db2.gz IYZKHHAXWCBRCZ-UHFFFAOYSA-N -1 0 340.301 3.661 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1cc2c(ccnc2Cl)o1 ZINC001605321247 973157545 /nfs/dbraw/zinc/15/75/45/973157545.db2.gz CCDCBEDFXQEOAC-UHFFFAOYSA-N -1 0 330.727 3.740 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC001605320692 973157810 /nfs/dbraw/zinc/15/78/10/973157810.db2.gz YHYSNXUXMMKJPM-JSGCOSHPSA-N -1 0 331.318 3.714 20 0 EHADRM Cc1cccc([C@H](NC(=O)Nc2cc(F)cc(Cl)c2)C(=O)[O-])c1 ZINC001605328121 973177621 /nfs/dbraw/zinc/17/76/21/973177621.db2.gz KLRLLWJWKUTQQS-AWEZNQCLSA-N -1 0 336.750 3.735 20 0 EHADRM Cc1cccc(C2=CCN(C(=O)c3coc(/C=C/C(=O)[O-])c3)CC2)c1 ZINC001605335700 973221025 /nfs/dbraw/zinc/22/10/25/973221025.db2.gz XHFMUJDEPGFAJR-AATRIKPKSA-N -1 0 337.375 3.615 20 0 EHADRM Cc1ccnc2ccc(C(=O)N[C@@H]3C[C@H](C(=O)[O-])c4ccccc43)cc12 ZINC001605366107 973302304 /nfs/dbraw/zinc/30/23/04/973302304.db2.gz XVOGQFBSYNFKHW-PKOBYXMFSA-N -1 0 346.386 3.586 20 0 EHADRM C[C@@H]1Cc2c(C(=O)[O-])c(NC(=O)c3ccccc3)sc2[C@H](C)O1 ZINC001603474272 973354934 /nfs/dbraw/zinc/35/49/34/973354934.db2.gz AXIRVAGZKNGLOE-ZJUUUORDSA-N -1 0 331.393 3.721 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)c1cnc(Cl)c2ccccc12)C(=O)[O-] ZINC000401377277 973360873 /nfs/dbraw/zinc/36/08/73/973360873.db2.gz NFURDMRODRNFCH-ZDUSSCGKSA-N -1 0 334.803 3.507 20 0 EHADRM CCC(CC)(CNC(=O)N[C@H](C)c1ccc(Cl)c(F)c1)C(=O)[O-] ZINC001603535259 973588350 /nfs/dbraw/zinc/58/83/50/973588350.db2.gz LAXIHRZKXKTJIJ-SNVBAGLBSA-N -1 0 344.814 3.730 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])cc1 ZINC001603544647 973601739 /nfs/dbraw/zinc/60/17/39/973601739.db2.gz LBLXSZAAKMUSSG-CXAGYDPISA-N -1 0 333.428 3.579 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)cc1 ZINC000403241311 973668087 /nfs/dbraw/zinc/66/80/87/973668087.db2.gz DUDMJDCBDRRZIO-HZSPNIEDSA-N -1 0 330.428 3.607 20 0 EHADRM CC[C@@H](CSc1ccccc1)NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001603575125 973717990 /nfs/dbraw/zinc/71/79/90/973717990.db2.gz GPRSRHHQMLMCOV-CKXPSTMWSA-N -1 0 345.420 3.678 20 0 EHADRM O=C([O-])Cc1ccc(Oc2ccnc(Cc3ccc(F)cc3)n2)cc1 ZINC001606307996 973718859 /nfs/dbraw/zinc/71/88/59/973718859.db2.gz WGAOZQNDVKCTEP-UHFFFAOYSA-N -1 0 338.338 3.626 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1ccccc1SC(F)(F)F)CC1CC1 ZINC000405281836 973813469 /nfs/dbraw/zinc/81/34/69/973813469.db2.gz ZUGNIAJHAJUYTL-SNVBAGLBSA-N -1 0 347.358 3.529 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1cccnc1C(=O)[O-] ZINC001603594206 973818598 /nfs/dbraw/zinc/81/85/98/973818598.db2.gz ZTXQCJIRFJDJPT-OAHLLOKOSA-N -1 0 342.395 3.699 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CC[C@H](c2ccccc2)c2ccccc21 ZINC001606399912 973850545 /nfs/dbraw/zinc/85/05/45/973850545.db2.gz BEZAIBJJOAUPDP-KBAYOESNSA-N -1 0 335.403 3.666 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Cc2coc3cc(Cl)ccc23)C1 ZINC001603601932 973861423 /nfs/dbraw/zinc/86/14/23/973861423.db2.gz WFIVTKLKCQLZJT-SFHVURJKSA-N -1 0 349.814 3.732 20 0 EHADRM CC[C@]1(C)Oc2ccc(NC(=O)c3ccc(C(=O)[O-])cc3)cc2O1 ZINC001603611659 973890051 /nfs/dbraw/zinc/89/00/51/973890051.db2.gz LBMGBZLOVSBHHN-GOSISDBHSA-N -1 0 327.336 3.535 20 0 EHADRM CC[C@H](NC(=O)NCCCCCC(=O)[O-])C(C)(C)c1ccccc1 ZINC000414626277 973942964 /nfs/dbraw/zinc/94/29/64/973942964.db2.gz KERLUFAVHFHXAV-INIZCTEOSA-N -1 0 334.460 3.687 20 0 EHADRM CCC[C@H](OC)C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](CC)C2 ZINC001603634063 973967236 /nfs/dbraw/zinc/96/72/36/973967236.db2.gz VWGTVFHKJXBVTN-PWSUYJOCSA-N -1 0 339.457 3.715 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2cccc(Oc3ccccn3)c2)cc1 ZINC001606489165 973971353 /nfs/dbraw/zinc/97/13/53/973971353.db2.gz OUBFTGLHIRYXQL-UHFFFAOYSA-N -1 0 348.358 3.502 20 0 EHADRM CCCCCC[C@H](C)CC(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001603640953 973986685 /nfs/dbraw/zinc/98/66/85/973986685.db2.gz JGVYZELGWLCGEV-UYFTZEKXSA-N -1 0 339.476 3.512 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)Cc1ccc(Cl)s1 ZINC001606502165 973992012 /nfs/dbraw/zinc/99/20/12/973992012.db2.gz KQISPQWTWVHQFI-UHFFFAOYSA-N -1 0 335.812 3.622 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)NCCC(C)(C)C(=O)[O-] ZINC000424379283 974022364 /nfs/dbraw/zinc/02/23/64/974022364.db2.gz IBUMAEHZMZXPIF-UHFFFAOYSA-N -1 0 342.823 3.750 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)[C@H]2CCC[C@@H](F)C2)c2ccccc12 ZINC000425249553 974042056 /nfs/dbraw/zinc/04/20/56/974042056.db2.gz UJVMMXXERXHQFK-QWHCGFSZSA-N -1 0 345.370 3.770 20 0 EHADRM O=C([O-])[C@@H](NCc1csc(-c2cccs2)n1)c1ccccc1F ZINC000426797645 974049132 /nfs/dbraw/zinc/04/91/32/974049132.db2.gz BSIYEVRFAXRMPI-AWEZNQCLSA-N -1 0 348.424 3.926 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)NCc2ccc(Cl)c(Cl)c2)o1 ZINC001605659884 974055166 /nfs/dbraw/zinc/05/51/66/974055166.db2.gz OODOAFWLECKBNM-ZZXKWVIFSA-N -1 0 340.162 3.614 20 0 EHADRM C[C@H](C(=O)[O-])N(C)C(=O)CSc1cccc2cccc(Cl)c21 ZINC000427971769 974058991 /nfs/dbraw/zinc/05/89/91/974058991.db2.gz LNKQCGXVTWXJSH-SNVBAGLBSA-N -1 0 337.828 3.517 20 0 EHADRM CCCNc1ccc(Cl)cc1NC(=O)c1ccc(C(=O)[O-])cn1 ZINC001603675765 974063298 /nfs/dbraw/zinc/06/32/98/974063298.db2.gz KQOXOZSHHUMRGL-UHFFFAOYSA-N -1 0 333.775 3.507 20 0 EHADRM O=C(/C=C\c1ccc(-c2ccc(F)cc2)s1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001605660664 974063399 /nfs/dbraw/zinc/06/33/99/974063399.db2.gz YMALOQBZRRWHFE-XQMZYZCXSA-N -1 0 345.395 3.547 20 0 EHADRM O=C([O-])[C@@H](CC1CC1)NC(=O)CCCc1ccc2ccccc2c1 ZINC000431800225 974076434 /nfs/dbraw/zinc/07/64/34/974076434.db2.gz ODWCGGYOVSTBIT-GOSISDBHSA-N -1 0 325.408 3.532 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)Nc1cccc(-c2ncco2)c1 ZINC000432123956 974089884 /nfs/dbraw/zinc/08/98/84/974089884.db2.gz HCXHNBUGWVIXBJ-UHFFFAOYSA-N -1 0 336.347 3.611 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])cc1 ZINC000432124711 974090498 /nfs/dbraw/zinc/09/04/98/974090498.db2.gz BLSPMPLXGVPONW-LIVBEALHSA-N -1 0 331.456 3.892 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000439920832 974112563 /nfs/dbraw/zinc/11/25/63/974112563.db2.gz HEUVGVAESSBEHK-INIZCTEOSA-N -1 0 345.826 3.854 20 0 EHADRM COc1cccc(Cl)c1NC(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1 ZINC001604866801 974117361 /nfs/dbraw/zinc/11/73/61/974117361.db2.gz XACAVOGYANLTIH-CQSZACIVSA-N -1 0 348.786 3.604 20 0 EHADRM COc1cccc2c(C(=O)Nc3c(C)cccc3C(=O)[O-])coc21 ZINC001604876601 974129810 /nfs/dbraw/zinc/12/98/10/974129810.db2.gz MHFXJXZQPDLELI-UHFFFAOYSA-N -1 0 325.320 3.700 20 0 EHADRM CCC[C@H](C)CC(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000455919979 974168838 /nfs/dbraw/zinc/16/88/38/974168838.db2.gz HQLJVRBGWNGPDL-HZMBPMFUSA-N -1 0 331.334 3.931 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c(F)c1 ZINC000478835106 974209131 /nfs/dbraw/zinc/20/91/31/974209131.db2.gz LZLNPBNKPNLNAT-UHFFFAOYSA-N -1 0 343.232 3.675 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000478837884 974209147 /nfs/dbraw/zinc/20/91/47/974209147.db2.gz KNMBGRZBPJIACE-LLVKDONJSA-N -1 0 349.789 3.881 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)c(F)c1 ZINC000478840673 974209958 /nfs/dbraw/zinc/20/99/58/974209958.db2.gz OZJZMYFRTPHSLD-RDTXWAMCSA-N -1 0 341.382 3.665 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1ccccc1Oc1ccccc1 ZINC000507428736 974276738 /nfs/dbraw/zinc/27/67/38/974276738.db2.gz ZWNXKQKXTTZVIT-RRQGHBQHSA-N -1 0 339.391 3.767 20 0 EHADRM CCN(c1cccc(C)c1C)S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000511700107 974285541 /nfs/dbraw/zinc/28/55/41/974285541.db2.gz KGOUDCAPZJVQRJ-UHFFFAOYSA-N -1 0 347.436 3.525 20 0 EHADRM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000514877385 974294669 /nfs/dbraw/zinc/29/46/69/974294669.db2.gz TUAKBWOMDRLSMW-YXJHDRRASA-N -1 0 347.455 3.874 20 0 EHADRM Cc1ccccc1[C@H](C(=O)[O-])N1CCO[C@H](c2ccccc2C)C1 ZINC000515855547 974302264 /nfs/dbraw/zinc/30/22/64/974302264.db2.gz HOEJHRVJXGYIQA-RBUKOAKNSA-N -1 0 325.408 3.503 20 0 EHADRM Cc1cc([C@H]2CN(Cc3ccc(C(=O)[O-])c(F)c3)CCO2)ccc1F ZINC000519773829 974335081 /nfs/dbraw/zinc/33/50/81/974335081.db2.gz LNZVLBKTVVGJCI-GOSISDBHSA-N -1 0 347.361 3.545 20 0 EHADRM O=C([O-])c1cnc(CN2CCCC[C@@H]2c2cccc(Cl)c2)cn1 ZINC000530164417 974359176 /nfs/dbraw/zinc/35/91/76/974359176.db2.gz WJOPYLPAHGUGCF-MRXNPFEDSA-N -1 0 331.803 3.555 20 0 EHADRM Cc1ccc2c(CC(=O)NC3(CC(=O)[O-])CCCCC3)coc2c1C ZINC000532000126 974370625 /nfs/dbraw/zinc/37/06/25/974370625.db2.gz CNLFTMFOYLTYBI-UHFFFAOYSA-N -1 0 343.423 3.886 20 0 EHADRM CCCN(Cc1ccc(C)cc1)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000539675280 974397738 /nfs/dbraw/zinc/39/77/38/974397738.db2.gz DLPNBQRHIJZCMB-UHFFFAOYSA-N -1 0 325.408 3.675 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)Cc1cccc(C(=O)[O-])c1)C(C)C ZINC000539675710 974398476 /nfs/dbraw/zinc/39/84/76/974398476.db2.gz LEQNLHDTXWPYHQ-IBGZPJMESA-N -1 0 325.408 3.749 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000539677725 974400263 /nfs/dbraw/zinc/40/02/63/974400263.db2.gz JVKJHSFKVXCYQR-IBGZPJMESA-N -1 0 339.435 3.558 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)Cc2cc(Cl)ccc2Cl)cc1 ZINC000541575270 974411617 /nfs/dbraw/zinc/41/16/17/974411617.db2.gz QRMXXXSSYVDNPQ-UHFFFAOYSA-N -1 0 338.190 3.802 20 0 EHADRM Cc1ccc(NC(=O)CCCOCc2ccccc2)c(C(=O)[O-])c1 ZINC000542518980 974415286 /nfs/dbraw/zinc/41/52/86/974415286.db2.gz PEVZEIUAOVQWGX-UHFFFAOYSA-N -1 0 327.380 3.629 20 0 EHADRM COc1ccc(C[C@H](C)C(=O)Nc2ccc(C)cc2C(=O)[O-])cc1 ZINC000544407345 974421043 /nfs/dbraw/zinc/42/10/43/974421043.db2.gz GACHRTGFAALJJK-ZDUSSCGKSA-N -1 0 327.380 3.519 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@H]2CCc3cc(F)ccc32)cc1 ZINC000563452112 974534091 /nfs/dbraw/zinc/53/40/91/974534091.db2.gz ZNFWVLJACKEQRB-DIFFPNOSSA-N -1 0 327.355 3.682 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)NCc1ccccc1Oc1ccccc1 ZINC000564225768 974545588 /nfs/dbraw/zinc/54/55/88/974545588.db2.gz LXSPJLUUQNGNSJ-CQSZACIVSA-N -1 0 327.380 3.596 20 0 EHADRM C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1Cc1occc1C(=O)[O-] ZINC000564660089 974551726 /nfs/dbraw/zinc/55/17/26/974551726.db2.gz AGFUWGDRBRITBH-IAQYHMDHSA-N -1 0 335.787 3.593 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000565226589 974575435 /nfs/dbraw/zinc/57/54/35/974575435.db2.gz YBGXQHQDEPMOTN-PRHODGIISA-N -1 0 330.211 3.598 20 0 EHADRM COc1ccc(C2(CNC(=O)C[C@@H](C)CC(=O)[O-])CCCCC2)cc1 ZINC000565726588 974587836 /nfs/dbraw/zinc/58/78/36/974587836.db2.gz VEBGLIICTMZBJQ-OAHLLOKOSA-N -1 0 347.455 3.514 20 0 EHADRM Cc1cc([C@H]2CN([C@H](C)c3ccc(C(=O)[O-])o3)CCO2)ccc1F ZINC000566361576 974609761 /nfs/dbraw/zinc/60/97/61/974609761.db2.gz KRIIAJNHKXCNEI-SJKOYZFVSA-N -1 0 333.359 3.560 20 0 EHADRM O=C([O-])c1ccc(CN2CCO[C@H](c3cccc(F)c3)C2)cc1Cl ZINC000568059486 974655709 /nfs/dbraw/zinc/65/57/09/974655709.db2.gz BHJYNWKBBFLBCE-KRWDZBQOSA-N -1 0 349.789 3.751 20 0 EHADRM O=C([O-])c1ccc(Cl)c(CN2CCO[C@@H](c3ccccc3F)C2)c1 ZINC000568059643 974655712 /nfs/dbraw/zinc/65/57/12/974655712.db2.gz HLFZNEBTPLBXJQ-QGZVFWFLSA-N -1 0 349.789 3.751 20 0 EHADRM CC[C@H]1CN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CCS1 ZINC000568062971 974658041 /nfs/dbraw/zinc/65/80/41/974658041.db2.gz XOPZNYZKNXCHFC-GXFFZTMASA-N -1 0 334.268 3.947 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2ccnc(Oc3ccccc3)c2)c1 ZINC000568826564 974678804 /nfs/dbraw/zinc/67/88/04/974678804.db2.gz ONSZFRHGQRWZPX-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CCOc1ccccc1C(=O)[O-] ZINC000569251746 974687796 /nfs/dbraw/zinc/68/77/96/974687796.db2.gz ZODIANXMLUCJFP-KBPBESRZSA-N -1 0 343.398 3.911 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1coc(-c2ccc(Cl)cc2)n1)C1CCC1 ZINC000571658664 974733353 /nfs/dbraw/zinc/73/33/53/974733353.db2.gz PLPPTXFWQZFFSE-LLVKDONJSA-N -1 0 334.803 3.823 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(NC[C@@H]3CCC(F)(F)C3)c12 ZINC000572164279 974743003 /nfs/dbraw/zinc/74/30/03/974743003.db2.gz YQIKTLXHMLQZBD-SECBINFHSA-N -1 0 341.383 3.854 20 0 EHADRM O=C([O-])Cc1ccc(-c2cc(F)ccc2OC[C@H]2CCCO2)cc1 ZINC000572258545 974744481 /nfs/dbraw/zinc/74/44/81/974744481.db2.gz RCBIDDGNDAQAIS-MRXNPFEDSA-N -1 0 330.355 3.678 20 0 EHADRM O=C([O-])[C@H](c1ccsc1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000572413624 974747131 /nfs/dbraw/zinc/74/71/31/974747131.db2.gz MZOYDAGIGOEYQX-CABCVRRESA-N -1 0 337.828 3.601 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000575430197 974799153 /nfs/dbraw/zinc/79/91/53/974799153.db2.gz SOKYALIVMNAKSI-OAHLLOKOSA-N -1 0 341.407 3.843 20 0 EHADRM Cc1ccc(C[C@@H]2CCCN(C(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)C2)cc1 ZINC000576454892 974814670 /nfs/dbraw/zinc/81/46/70/974814670.db2.gz PNQCABQICOVMDH-FHWLQOOXSA-N -1 0 343.467 3.667 20 0 EHADRM CC[C@@H](C(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccc(OC)cc1 ZINC000577259055 974832269 /nfs/dbraw/zinc/83/22/69/974832269.db2.gz JNYQTTGVEGHABC-GOSISDBHSA-N -1 0 341.407 3.845 20 0 EHADRM Cc1nn(C(C)(C)C)cc1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000578144513 974849597 /nfs/dbraw/zinc/84/95/97/974849597.db2.gz VZCZCKOPBOEQEY-UHFFFAOYSA-N -1 0 343.427 3.561 20 0 EHADRM COc1ccc(OC)c(C[N@H+](Cc2ccccc2C(=O)[O-])C2CC2)c1 ZINC000578756156 974861197 /nfs/dbraw/zinc/86/11/97/974861197.db2.gz GSZGIXTYOBVTOR-UHFFFAOYSA-N -1 0 341.407 3.567 20 0 EHADRM O=C([O-])CC[C@@H](CC1CCCCC1)NC(=O)CC1CCSCC1 ZINC000580762843 974898670 /nfs/dbraw/zinc/89/86/70/974898670.db2.gz JVOBWWRNQPOHRC-INIZCTEOSA-N -1 0 341.517 3.840 20 0 EHADRM CC(C)[C@@H](SCc1ccccc1)C(=O)NCc1ccoc1C(=O)[O-] ZINC000595245638 974993112 /nfs/dbraw/zinc/99/31/12/974993112.db2.gz PIVQLXMCXUFBRV-MRXNPFEDSA-N -1 0 347.436 3.552 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccc(F)cc1 ZINC000612519244 975019171 /nfs/dbraw/zinc/01/91/71/975019171.db2.gz NHHBQZOVRFBPMC-INIZCTEOSA-N -1 0 344.386 3.826 20 0 EHADRM Cc1nc(-c2ccccc2)sc1C(=O)N1CCCCC[C@@H]1C(=O)[O-] ZINC000621566307 975033032 /nfs/dbraw/zinc/03/30/32/975033032.db2.gz IYXRLBJUSGCYDQ-CQSZACIVSA-N -1 0 344.436 3.588 20 0 EHADRM Cc1nc(-c2cccc(C(=O)N3CCCCC[C@@H]3C(=O)[O-])c2)cs1 ZINC000621567209 975034583 /nfs/dbraw/zinc/03/45/83/975034583.db2.gz NIMAAFUOGMZBJU-MRXNPFEDSA-N -1 0 344.436 3.588 20 0 EHADRM C[C@H](CC(=O)N1CCc2c(cccc2C(=O)[O-])C1)c1cccc(F)c1 ZINC000621579392 975040003 /nfs/dbraw/zinc/04/00/03/975040003.db2.gz HLFFJIVDNFGCMB-CYBMUJFWSA-N -1 0 341.382 3.602 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)c1ccoc1C1CC1 ZINC000621583215 975042881 /nfs/dbraw/zinc/04/28/81/975042881.db2.gz JAPVJKGOCGNKIM-HOCLYGCPSA-N -1 0 331.412 3.653 20 0 EHADRM CCC[C@@H](C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC000621608439 975057245 /nfs/dbraw/zinc/05/72/45/975057245.db2.gz RIFJJCVBWLWKFP-DGCLKSJQSA-N -1 0 332.425 3.602 20 0 EHADRM C[C@@H](NC(=O)CCC(C)(C)c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC000621611503 975060571 /nfs/dbraw/zinc/06/05/71/975060571.db2.gz DPNGCXIWULVRQD-GFCCVEGCSA-N -1 0 346.452 3.777 20 0 EHADRM C[C@H](NC(=O)[C@H](C)c1ccc(Cl)s1)c1ncc(C(=O)[O-])s1 ZINC000621611820 975060728 /nfs/dbraw/zinc/06/07/28/975060728.db2.gz LZMHYNKDDAFNJN-RQJHMYQMSA-N -1 0 344.845 3.537 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@H]2c2cccc(C)c2C)oc1C(=O)[O-] ZINC000630121612 975110028 /nfs/dbraw/zinc/11/00/28/975110028.db2.gz KVVILBBIRRFSRE-HNNXBMFYSA-N -1 0 327.380 3.880 20 0 EHADRM Cc1ccccc1C[C@@H](C)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000630127207 975113000 /nfs/dbraw/zinc/11/30/00/975113000.db2.gz PXKGVODLMPWGQS-APWZRJJASA-N -1 0 339.435 3.896 20 0 EHADRM CCc1ccc(F)cc1C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000630126568 975113015 /nfs/dbraw/zinc/11/30/15/975113015.db2.gz JGAZQUYEIDDTBB-QGZVFWFLSA-N -1 0 329.371 3.724 20 0 EHADRM CC[C@H]1CCCC[C@@H]1C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000630140616 975124547 /nfs/dbraw/zinc/12/45/47/975124547.db2.gz HTRPIVPPCBIVIW-WMZOPIPTSA-N -1 0 347.455 3.763 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000630153333 975131950 /nfs/dbraw/zinc/13/19/50/975131950.db2.gz YFGLLQWHQCTUOK-HNNXBMFYSA-N -1 0 329.396 3.688 20 0 EHADRM COc1cc(NC(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)ccc1C(=O)[O-] ZINC000630184358 975146287 /nfs/dbraw/zinc/14/62/87/975146287.db2.gz LVWHEVPFMHVVRE-CABCVRRESA-N -1 0 343.354 3.665 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)C2(c3cccnc3)CCCC2)cc1 ZINC000630194604 975152543 /nfs/dbraw/zinc/15/25/43/975152543.db2.gz PYTQKCLLDJWEET-CQSZACIVSA-N -1 0 338.407 3.720 20 0 EHADRM Cc1ccc(C)c(S([O-])=CC(=O)N[C@H](C)c2ccc(Cl)cc2)c1 ZINC000107966693 1014239447 /nfs/dbraw/zinc/23/94/47/1014239447.db2.gz IDEKHUAVDSJRKZ-QKFKETGDSA-N -1 0 349.883 3.942 20 0 EHADRM Cc1ccc(C)c(S([O-])=CC(=O)N[C@@H](C)c2ccccc2Cl)c1 ZINC000107966698 1014239481 /nfs/dbraw/zinc/23/94/81/1014239481.db2.gz NGCQDBUCQWSTCD-LFVRLGFBSA-N -1 0 349.883 3.942 20 0 EHADRM COc1cccc(CN(CC(C)C)C(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000630227796 975175548 /nfs/dbraw/zinc/17/55/48/975175548.db2.gz TWHHORRAOWSAHB-UHFFFAOYSA-N -1 0 345.395 3.593 20 0 EHADRM CC(C)(C)c1ccccc1C(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC000630233434 975180552 /nfs/dbraw/zinc/18/05/52/975180552.db2.gz UIDWDRPIZAQLHH-UHFFFAOYSA-N -1 0 325.408 3.541 20 0 EHADRM CC1(C)[C@H](c2cccc(F)c2)CCN1C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000630274330 975218957 /nfs/dbraw/zinc/21/89/57/975218957.db2.gz MXIRCUWQFZHUJT-UXLLHSPISA-N -1 0 347.430 3.811 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CC[C@@H](c2cccc(F)c2)C1(C)C ZINC000630274968 975219766 /nfs/dbraw/zinc/21/97/66/975219766.db2.gz PGPZSSRLSDMLSH-HNNXBMFYSA-N -1 0 345.370 3.834 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]2CCC[C@H]21 ZINC000630283349 975228354 /nfs/dbraw/zinc/22/83/54/975228354.db2.gz SFSPAVUUKFEPFK-MJBXVCDLSA-N -1 0 347.798 3.802 20 0 EHADRM C[C@H](CCC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21)c1ccccc1 ZINC000630286071 975230416 /nfs/dbraw/zinc/23/04/16/975230416.db2.gz PQOUZNLYURIRFA-NRSFXHEJSA-N -1 0 329.440 3.672 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(C3CCC3)cc2)[C@H]2CCC[C@@H]21 ZINC000630286969 975230971 /nfs/dbraw/zinc/23/09/71/975230971.db2.gz VAWQJIBTHJTXSX-KURKYZTESA-N -1 0 327.424 3.670 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC000630287537 975231471 /nfs/dbraw/zinc/23/14/71/975231471.db2.gz YYVDNPBBSPSRAG-TWMKSMIVSA-N -1 0 347.480 3.659 20 0 EHADRM COc1ccc(CN(C(=O)CC(C)(C)CC(=O)[O-])[C@H](C)C2CC2)cc1 ZINC000630288457 975232249 /nfs/dbraw/zinc/23/22/49/975232249.db2.gz LSPXDLIUBPYJMG-CQSZACIVSA-N -1 0 347.455 3.713 20 0 EHADRM O=C([O-])c1ccccc1-c1ccccc1C(=O)N1CC[C@H](C2CC2)C1 ZINC000630298069 975237109 /nfs/dbraw/zinc/23/71/09/975237109.db2.gz MATFZGGXNCBNBG-HNNXBMFYSA-N -1 0 335.403 3.924 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)NC1(c2ccc(F)cc2F)CCCC1 ZINC000630298680 975237944 /nfs/dbraw/zinc/23/79/44/975237944.db2.gz HGTKYARFYIZNCF-UHFFFAOYSA-N -1 0 349.333 3.764 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)[C@H]2Cc3ccc(Cl)cc32)cc1 ZINC000630328421 975256269 /nfs/dbraw/zinc/25/62/69/975256269.db2.gz AIZJQGHZSKZPLX-YESZJQIVSA-N -1 0 341.794 3.807 20 0 EHADRM CCCCCC(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000236833899 1029573279 /nfs/dbraw/zinc/57/32/79/1029573279.db2.gz VIFVCBOZXKZWBV-CYBMUJFWSA-N -1 0 342.233 3.661 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2ccc(-c3csnn3)cc2)CCCC1 ZINC000634861805 975279491 /nfs/dbraw/zinc/27/94/91/975279491.db2.gz IGOPTWVFKQTBHC-UHFFFAOYSA-N -1 0 345.424 3.569 20 0 EHADRM COc1ccccc1[C@@H]1CCCN1C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000634878130 975280065 /nfs/dbraw/zinc/28/00/65/975280065.db2.gz DUUUGCQAOXEQIJ-INIZCTEOSA-N -1 0 345.439 3.784 20 0 EHADRM Cc1ccc([C@@H](NC(=O)CC2(CC(=O)[O-])CCCC2)C(F)(F)F)o1 ZINC000634926696 975281506 /nfs/dbraw/zinc/28/15/06/975281506.db2.gz ZHZWIEJRZDJBJU-CQSZACIVSA-N -1 0 347.333 3.733 20 0 EHADRM O=C([O-])c1cnc(N[C@@H]2CCO[C@@H](c3ccccc3)C2)c(Cl)c1 ZINC000647452919 975364436 /nfs/dbraw/zinc/36/44/36/975364436.db2.gz PYQPQFPHCPHLAD-UKRRQHHQSA-N -1 0 332.787 3.765 20 0 EHADRM CC1(C)CCC[C@@H]1[C@H]1CCN(C(=O)CCc2ccccc2C(=O)[O-])C1 ZINC000649256146 975395248 /nfs/dbraw/zinc/39/52/48/975395248.db2.gz SAJZYUHWSDOSDW-FUHWJXTLSA-N -1 0 343.467 3.992 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NC[C@H]1CC2CCC1CC2)C(=O)[O-] ZINC000649255907 975395290 /nfs/dbraw/zinc/39/52/90/975395290.db2.gz DDFGOAIBPVEVKY-VXGQWTEUSA-N -1 0 347.480 3.808 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC(c3cccc(F)c3F)CC2)cc1 ZINC000649256201 975395495 /nfs/dbraw/zinc/39/54/95/975395495.db2.gz UQRVOOWSIOQQQF-UHFFFAOYSA-N -1 0 345.345 3.683 20 0 EHADRM CCc1ccc2occ(C(=O)N3CCC[C@@H](C(C)(C)C(=O)[O-])C3)c2c1 ZINC000649364259 975408319 /nfs/dbraw/zinc/40/83/19/975408319.db2.gz PRZITYMQNBXJJH-CQSZACIVSA-N -1 0 343.423 3.958 20 0 EHADRM CC(C)O[C@@H](CSCc1cnc(C(=O)[O-])cn1)c1ccccc1 ZINC001591687196 975501479 /nfs/dbraw/zinc/50/14/79/975501479.db2.gz YGEQZNVDBIXJJA-INIZCTEOSA-N -1 0 332.425 3.574 20 0 EHADRM CC(C)O[C@@H](C(=O)N[C@H](CC1CCCCC1)C(=O)[O-])c1ccccc1 ZINC001591687317 975501589 /nfs/dbraw/zinc/50/15/89/975501589.db2.gz ZLIXTHVWVZZNLA-QZTJIDSGSA-N -1 0 347.455 3.693 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)C[C@H]1C1CC1 ZINC000652125331 975511230 /nfs/dbraw/zinc/51/12/30/975511230.db2.gz NZOKLVRGUGAWAM-YSTOQKLRSA-N -1 0 349.430 3.513 20 0 EHADRM Cc1ccccc1[C@@H](C(=O)[O-])N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000652409678 975524521 /nfs/dbraw/zinc/52/45/21/975524521.db2.gz HLXPRPCATVXVJE-MSOLQXFVSA-N -1 0 345.826 3.848 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)c1cccc(Nc2ccccc2)c1 ZINC000653320958 975584101 /nfs/dbraw/zinc/58/41/01/975584101.db2.gz ZMDVOGCOIDOGES-SFHVURJKSA-N -1 0 338.407 3.900 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C[C@H](C)CC(=O)[O-] ZINC000656237332 975652051 /nfs/dbraw/zinc/65/20/51/975652051.db2.gz SCVLXWSTEBLUTQ-VHSXEESVSA-N -1 0 332.227 3.542 20 0 EHADRM O=C([O-])[C@H](CNC(=O)CCc1c(Cl)cccc1Cl)CC1CC1 ZINC000656244336 975654806 /nfs/dbraw/zinc/65/48/06/975654806.db2.gz IGTCMWWLOLKMIO-NSHDSACASA-N -1 0 344.238 3.543 20 0 EHADRM CSc1ccc(C)c(NC(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC000656602920 975663945 /nfs/dbraw/zinc/66/39/45/975663945.db2.gz SNNVRLLRBUBCGT-UHFFFAOYSA-N -1 0 336.457 3.826 20 0 EHADRM C[C@@]1(C2CC2)CN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CCO1 ZINC000656757688 975683948 /nfs/dbraw/zinc/68/39/48/975683948.db2.gz QZFPLGOTDHTLQG-ZBFHGGJFSA-N -1 0 344.238 3.620 20 0 EHADRM O=C([O-])CCCOc1ccc(CNC(=O)[C@H]2CCCC3(CC3)C2)cc1 ZINC000659133823 975733378 /nfs/dbraw/zinc/73/33/78/975733378.db2.gz JOAAPTZEVLOGCV-INIZCTEOSA-N -1 0 345.439 3.517 20 0 EHADRM CC1=CC[C@](C)(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)CC1 ZINC000659138126 975738104 /nfs/dbraw/zinc/73/81/04/975738104.db2.gz FGLIMFLLTXAVLU-KRWDZBQOSA-N -1 0 337.803 3.878 20 0 EHADRM CC(C)Oc1c(NC(=O)/C=C\c2cccs2)cccc1C(=O)[O-] ZINC001591741724 975757251 /nfs/dbraw/zinc/75/72/51/975757251.db2.gz OLDVPJNKJNBKTP-HJWRWDBZSA-N -1 0 331.393 3.885 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)[C@@H]2CCC[C@@H]2Cc2ccccc2)s1 ZINC000659159096 975758063 /nfs/dbraw/zinc/75/80/63/975758063.db2.gz VJFLAXISMADVHV-GDBMZVCRSA-N -1 0 343.448 3.722 20 0 EHADRM CC(C)Oc1c(NC(=O)N2CCC[C@H]3CCC[C@@H]32)cccc1C(=O)[O-] ZINC001591743798 975762734 /nfs/dbraw/zinc/76/27/34/975762734.db2.gz CZCRCNCEGGDVED-CJNGLKHVSA-N -1 0 346.427 3.968 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2coc3ccccc23)[C@@H]2CCCC[C@H]12 ZINC000659194710 975795738 /nfs/dbraw/zinc/79/57/38/975795738.db2.gz MPHAZYCNWQZDBR-XNRPHZJLSA-N -1 0 327.380 3.538 20 0 EHADRM CC(C)c1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)cc1 ZINC000659196040 975799757 /nfs/dbraw/zinc/79/97/57/975799757.db2.gz SGAUMZFECJQZBZ-BZSNNMDCSA-N -1 0 329.440 3.916 20 0 EHADRM Cc1cccc(C2(C(=O)NCc3ccoc3C(=O)[O-])CCCCC2)c1 ZINC000659198031 975804563 /nfs/dbraw/zinc/80/45/63/975804563.db2.gz MNZMWJDVWJBKPB-UHFFFAOYSA-N -1 0 341.407 3.805 20 0 EHADRM CC(C)Oc1c(NCC2CCC3(CC2)OCCO3)cccc1C(=O)[O-] ZINC001591751798 975809797 /nfs/dbraw/zinc/80/97/97/975809797.db2.gz HAQDDBNOHKXPAF-UHFFFAOYSA-N -1 0 349.427 3.517 20 0 EHADRM Cc1cc(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)c(C)n1C1CCCCC1 ZINC000659206576 975816129 /nfs/dbraw/zinc/81/61/29/975816129.db2.gz LQNANKLGXWFKHC-MRXNPFEDSA-N -1 0 346.471 3.841 20 0 EHADRM O=C([O-])C[C@H](CNC(=O)C1(Sc2ccccc2)CCCC1)C1CC1 ZINC000659209695 975820649 /nfs/dbraw/zinc/82/06/49/975820649.db2.gz KSPPBRUAXNMMSL-OAHLLOKOSA-N -1 0 347.480 3.709 20 0 EHADRM C[C@](CCF)(NC(=O)CC(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000659210334 975822223 /nfs/dbraw/zinc/82/22/23/975822223.db2.gz QRIHXOYZXLWIOT-HXUWFJFHSA-N -1 0 343.398 3.528 20 0 EHADRM CC(C)Oc1cc(O)ccc1NC(=O)Nc1ccc(C(=O)[O-])s1 ZINC001591757232 975832913 /nfs/dbraw/zinc/83/29/13/975832913.db2.gz YLKGNNISMJZXMZ-UHFFFAOYSA-N -1 0 336.369 3.583 20 0 EHADRM CN(C(=O)c1sc2cc(F)ccc2c1Cl)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659226572 975837951 /nfs/dbraw/zinc/83/79/51/975837951.db2.gz HZQWPZCDFPUZPS-OTSSQURYSA-N -1 0 341.791 3.629 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)c1cccc(O)c1 ZINC001591761412 975850072 /nfs/dbraw/zinc/85/00/72/975850072.db2.gz KGUJAEVLIIBOIA-LBPRGKRZSA-N -1 0 343.379 3.620 20 0 EHADRM CC(C)Oc1ccc([C@H](C)NC(=O)c2cc(F)cc(C(=O)[O-])c2)cc1 ZINC001591772776 975908328 /nfs/dbraw/zinc/90/83/28/975908328.db2.gz KQSVUHSHWYBYCS-LBPRGKRZSA-N -1 0 345.370 3.802 20 0 EHADRM Cc1cc(C(F)(F)F)cc(N2Cc3ccccc3[C@H](C(=O)[O-])C2)n1 ZINC000662889475 975911934 /nfs/dbraw/zinc/91/19/34/975911934.db2.gz MRXDXCTUFFRKIX-CQSZACIVSA-N -1 0 336.313 3.597 20 0 EHADRM CC(C)Oc1ccc(Cl)cc1C(=O)NC1(C(=O)[O-])CCCCC1 ZINC001591775350 975917829 /nfs/dbraw/zinc/91/78/29/975917829.db2.gz OATLLULWEAPFIP-UHFFFAOYSA-N -1 0 339.819 3.645 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@@H]2CCCCCC(=O)C2)c(C(=O)[O-])c1 ZINC001591781013 975949366 /nfs/dbraw/zinc/94/93/66/975949366.db2.gz QBRISHXBPYGKIX-CYBMUJFWSA-N -1 0 347.411 3.650 20 0 EHADRM O=C([O-])CCCCNC(=O)N1C[C@@H](c2ccccc2)c2ccccc21 ZINC000666559695 975973433 /nfs/dbraw/zinc/97/34/33/975973433.db2.gz YZRGWCTUUSYCHH-KRWDZBQOSA-N -1 0 338.407 3.603 20 0 EHADRM CC(C)Oc1ccc(NC(=O)c2ccoc2C2CC2)c(C(=O)[O-])c1 ZINC001591788508 975974274 /nfs/dbraw/zinc/97/42/74/975974274.db2.gz LRXYFIPALASKLM-UHFFFAOYSA-N -1 0 329.352 3.895 20 0 EHADRM O=C([O-])Cc1cccc(NC2CCN(c3ccc(F)cc3F)CC2)c1 ZINC000666578205 975975186 /nfs/dbraw/zinc/97/51/86/975975186.db2.gz ZUKQRTZKAKQMOK-UHFFFAOYSA-N -1 0 346.377 3.673 20 0 EHADRM CC(C)(c1ccc(C(=O)NC2(CC(=O)[O-])CCC2)cc1)C(F)(F)F ZINC000668273344 975980689 /nfs/dbraw/zinc/98/06/89/975980689.db2.gz ZTUZCPAXQPEFOH-UHFFFAOYSA-N -1 0 343.345 3.654 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)C2)cc1 ZINC000668300750 975990859 /nfs/dbraw/zinc/99/08/59/975990859.db2.gz VKJZBLAIQMOKRA-DZJNRPSUSA-N -1 0 329.440 3.590 20 0 EHADRM CC(C)Oc1cccc(CC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])c1 ZINC001591792042 975992796 /nfs/dbraw/zinc/99/27/96/975992796.db2.gz AVUMNOPGXNYEQO-SFHVURJKSA-N -1 0 347.455 3.556 20 0 EHADRM Cc1oc(C)c(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])c1C ZINC000671666861 976011666 /nfs/dbraw/zinc/01/16/66/976011666.db2.gz DBXZWPQKICUUDY-LBPRGKRZSA-N -1 0 329.396 3.568 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2sc3cccc(Cl)c3c2Cl)C1 ZINC000676215120 976028893 /nfs/dbraw/zinc/02/88/93/976028893.db2.gz YPJBQRQAOVNOLE-SSDOTTSWSA-N -1 0 344.219 3.755 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)C[C@H]2CCCC[C@H]2C)cc1 ZINC000678973961 976032787 /nfs/dbraw/zinc/03/27/87/976032787.db2.gz QPIRMRHJQPISHY-UNEWFSDZSA-N -1 0 333.428 3.544 20 0 EHADRM CC[C@@H](CC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC000679102072 976043757 /nfs/dbraw/zinc/04/37/57/976043757.db2.gz TXLKPMXKPHFFKF-RDJZCZTQSA-N -1 0 331.456 3.920 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000679105144 976046472 /nfs/dbraw/zinc/04/64/72/976046472.db2.gz KTNPFYBJZWLWBM-DOTOQJQBSA-N -1 0 347.455 3.502 20 0 EHADRM CCCCc1nc2cc(NC(=O)CC(C)(C)CC(=O)[O-])ccc2[nH]1 ZINC000683301924 976082161 /nfs/dbraw/zinc/08/21/61/976082161.db2.gz BRILSCRNICJBHC-UHFFFAOYSA-N -1 0 331.416 3.735 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000683320509 976085838 /nfs/dbraw/zinc/08/58/38/976085838.db2.gz QFVLAGHCTUGLRT-HNNXBMFYSA-N -1 0 342.439 3.765 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)N[C@](C)(Cc2ccc(F)cc2)C(=O)[O-])CC1 ZINC001591907803 976316000 /nfs/dbraw/zinc/31/60/00/976316000.db2.gz ZVQVNSNETAEAAI-JXXFODFXSA-N -1 0 349.446 3.790 20 0 EHADRM CC(C)c1[nH]c(C[N@H+](C)Cc2cccc(N(C)C)c2)cc1C(=O)[O-] ZINC001591910449 976317923 /nfs/dbraw/zinc/31/79/23/976317923.db2.gz FJKGMZYYFGKVMU-UHFFFAOYSA-N -1 0 329.444 3.534 20 0 EHADRM CC(C)c1ccc(C(=O)OCc2c(F)cc(C(=O)[O-])cc2F)nc1 ZINC001591947001 976486636 /nfs/dbraw/zinc/48/66/36/976486636.db2.gz BVDKAZCMXJUZDM-UHFFFAOYSA-N -1 0 335.306 3.538 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC001591947259 976489739 /nfs/dbraw/zinc/48/97/39/976489739.db2.gz JGMBOZREFHTSRP-RLFYNMQTSA-N -1 0 331.456 3.873 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)NC[C@@H](CC(=O)[O-])C2CC2)cc1 ZINC001591947499 976490701 /nfs/dbraw/zinc/49/07/01/976490701.db2.gz LPJPNGXIYNDMIC-RDTXWAMCSA-N -1 0 331.456 3.921 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)cc1 ZINC001591948775 976501614 /nfs/dbraw/zinc/50/16/14/976501614.db2.gz KDMZPQZJBWUROX-IHPHLFPESA-N -1 0 341.451 3.829 20 0 EHADRM CC(C)c1ccc(C2(C(=O)OCc3oncc3C(=O)[O-])CCC2)cc1 ZINC001591948874 976503443 /nfs/dbraw/zinc/50/34/43/976503443.db2.gz NEZBIUMWGGSKLA-UHFFFAOYSA-N -1 0 343.379 3.661 20 0 EHADRM CC(C)c1ccc(NC(=O)Cc2ccc(F)cc2F)c(C(=O)[O-])c1 ZINC001591965759 976559899 /nfs/dbraw/zinc/55/98/99/976559899.db2.gz PNXVGMYDXUWMDP-UHFFFAOYSA-N -1 0 333.334 3.968 20 0 EHADRM CC(C)c1ccc(NC(=O)c2nccc3cccnc32)c(C(=O)[O-])c1 ZINC001591968241 976565257 /nfs/dbraw/zinc/56/52/57/976565257.db2.gz LPXRAUNUAVZXJX-UHFFFAOYSA-N -1 0 335.363 3.704 20 0 EHADRM CC(C)c1ccc(OCC[NH2+]Cc2ccc(C(=O)[O-])cc2F)cc1 ZINC001591973008 976573617 /nfs/dbraw/zinc/57/36/17/976573617.db2.gz STOLZVWCIOMCEK-UHFFFAOYSA-N -1 0 331.387 3.816 20 0 EHADRM CC(C)c1ccc(NS(=O)(=O)CC(C)(C)C(=O)[O-])c(C(C)C)c1 ZINC001591974381 976588283 /nfs/dbraw/zinc/58/82/83/976588283.db2.gz UDLYVUQDVGHYNX-UHFFFAOYSA-N -1 0 341.473 3.786 20 0 EHADRM CC(C)c1cccc(C(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)c1 ZINC001591983094 976601172 /nfs/dbraw/zinc/60/11/72/976601172.db2.gz HIACNISCBRRARC-UHFFFAOYSA-N -1 0 330.409 3.774 20 0 EHADRM CC(C)c1ccccc1NC(=O)N(C)Cc1ccc(C(=O)[O-])cn1 ZINC001591997562 976643108 /nfs/dbraw/zinc/64/31/08/976643108.db2.gz CJAKZLJKJWXERG-UHFFFAOYSA-N -1 0 327.384 3.567 20 0 EHADRM CC(C)c1ncc(CN2CCc3c(F)ccc(C(=O)[O-])c3C2)s1 ZINC001592033562 976748180 /nfs/dbraw/zinc/74/81/80/976748180.db2.gz HZPZWBAEEPYXNW-UHFFFAOYSA-N -1 0 334.416 3.662 20 0 EHADRM CC(C)c1ncsc1C(=O)N1CCCc2ccc(C(=O)[O-])cc21 ZINC001592042317 976767920 /nfs/dbraw/zinc/76/79/20/976767920.db2.gz HUSSESODECFMHY-UHFFFAOYSA-N -1 0 330.409 3.558 20 0 EHADRM CC(C)c1ncsc1C(=O)N1c2ccccc2C[C@H](C)[C@@H]1C(=O)[O-] ZINC001592042686 976770885 /nfs/dbraw/zinc/77/08/85/976770885.db2.gz RDSMJBHYUJAFQY-XHDPSFHLSA-N -1 0 344.436 3.559 20 0 EHADRM CC(C)c1ncsc1NC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001592042709 976770968 /nfs/dbraw/zinc/77/09/68/976770968.db2.gz RWKYSEZCJYSTCP-UHFFFAOYSA-N -1 0 343.408 3.558 20 0 EHADRM CC(C)c1ocnc1C(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001592102694 976873808 /nfs/dbraw/zinc/87/38/08/976873808.db2.gz RROLIKLPAOQANL-CQSZACIVSA-N -1 0 329.352 3.731 20 0 EHADRM CC(C)n1cc(OCc2c(Br)cccc2C(=O)[O-])cn1 ZINC001592131837 976971049 /nfs/dbraw/zinc/97/10/49/976971049.db2.gz PDTCOEVMGCIYOO-UHFFFAOYSA-N -1 0 339.189 3.504 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000654791704 1014402328 /nfs/dbraw/zinc/40/23/28/1014402328.db2.gz HNWQWCLQCOMLMX-QWRGUYRKSA-N -1 0 346.349 3.661 20 0 EHADRM CSc1cc(O)ccc1[N-]C(=O)c1noc(-c2cccc(F)c2)n1 ZINC000683122751 1014403775 /nfs/dbraw/zinc/40/37/75/1014403775.db2.gz NNLPUHABIKBFQD-UHFFFAOYSA-N -1 0 345.355 3.556 20 0 EHADRM CC(C)(C)c1nc(CN(CC(=O)[O-])Cc2ccc(F)cc2)cs1 ZINC000584296737 1032091594 /nfs/dbraw/zinc/09/15/94/1032091594.db2.gz GMCFHZKVBIUZMF-UHFFFAOYSA-N -1 0 336.432 3.667 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)c1ccc2c(c1)-c1ccccc1C2)C1CC1 ZINC001592308409 977674925 /nfs/dbraw/zinc/67/49/25/977674925.db2.gz HNSBVGHGRUTUGY-NRFANRHFSA-N -1 0 335.403 3.631 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)c1ccccc1CCC(F)(F)F)C1CC1 ZINC001592309488 977679386 /nfs/dbraw/zinc/67/93/86/977679386.db2.gz SRJGRFJWGBOGKM-INIZCTEOSA-N -1 0 343.345 3.555 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)c1csc(Cl)c1)c1cccc(F)c1 ZINC001592321074 977719540 /nfs/dbraw/zinc/71/95/40/977719540.db2.gz KBDAQSYYFRVFNJ-OAHLLOKOSA-N -1 0 341.791 3.661 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)NCC1(c2ccc(C(C)(C)C)cc2)CCC1 ZINC001592351757 977830937 /nfs/dbraw/zinc/83/09/37/977830937.db2.gz VWUKZUHNBDJOJA-CQSZACIVSA-N -1 0 331.456 3.633 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N(C)c1ccc(Br)cc1Cl ZINC001592370813 977887320 /nfs/dbraw/zinc/88/73/20/977887320.db2.gz MJKKZVSSZYVEHL-QMMMGPOBSA-N -1 0 348.624 3.566 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N(C)c1ccc(Br)cc1Cl ZINC001592370810 977887389 /nfs/dbraw/zinc/88/73/89/977887389.db2.gz MJKKZVSSZYVEHL-MRVPVSSYSA-N -1 0 348.624 3.566 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC001592371280 977892448 /nfs/dbraw/zinc/89/24/48/977892448.db2.gz QRAUIKWASFTHMR-HPBDAGMYSA-N -1 0 329.440 3.672 20 0 EHADRM C[C@H](CC(=O)[O-])Cc1nnc(-c2ccc(COc3ccccc3)o2)o1 ZINC001592406775 977986354 /nfs/dbraw/zinc/98/63/54/977986354.db2.gz WHFCYPCMOSBOOC-LBPRGKRZSA-N -1 0 342.351 3.562 20 0 EHADRM C[C@@H](CC(=O)O[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F)C1CC1 ZINC001592424584 978046306 /nfs/dbraw/zinc/04/63/06/978046306.db2.gz UHAFZTMJENCBED-LKFCYVNXSA-N -1 0 330.302 3.811 20 0 EHADRM C[C@H](CCC(C)(C)C)NS(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001592477553 978244488 /nfs/dbraw/zinc/24/44/88/978244488.db2.gz KYRODTPVKXSXOB-SNVBAGLBSA-N -1 0 347.864 3.531 20 0 EHADRM C[C@H](CCC(C)(C)C)C(=O)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001592477611 978245399 /nfs/dbraw/zinc/24/53/99/978245399.db2.gz LUTCHHAIYTVIOF-VXGBXAGGSA-N -1 0 338.473 3.620 20 0 EHADRM C[C@H](CCOC(=O)c1ccc(C(=O)[O-])n1C)c1c[nH]c2ccccc21 ZINC001592529094 978384327 /nfs/dbraw/zinc/38/43/27/978384327.db2.gz MDOVHMHEOPJLRZ-GFCCVEGCSA-N -1 0 340.379 3.555 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)N2CCCc3sccc3C2)cc1 ZINC000737331939 978397373 /nfs/dbraw/zinc/39/73/73/978397373.db2.gz KVDIYJOEHCIPOV-UHFFFAOYSA-N -1 0 345.424 3.843 20 0 EHADRM COc1ccc(CCC(=O)Oc2ccc(C)cc2C(=O)[O-])cc1Cl ZINC000737987169 978464293 /nfs/dbraw/zinc/46/42/93/978464293.db2.gz QUAVLAFCDBZYAP-UHFFFAOYSA-N -1 0 348.782 3.893 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)OCc1cccc(C(=O)[O-])c1 ZINC000738118677 978481758 /nfs/dbraw/zinc/48/17/58/978481758.db2.gz BWUMUASXMJBEKY-JLHYYAGUSA-N -1 0 326.348 3.540 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N2CCc3ccccc3CC2)ccc1F ZINC000740005633 978662514 /nfs/dbraw/zinc/66/25/14/978662514.db2.gz NSIKLSGLPHIHSF-UHFFFAOYSA-N -1 0 343.358 3.548 20 0 EHADRM O=C([O-])Nc1cc(NCC(=O)Nc2ccccc2Cl)ccc1F ZINC000740011348 978662814 /nfs/dbraw/zinc/66/28/14/978662814.db2.gz BDXVTVBMGZOYLT-UHFFFAOYSA-N -1 0 337.738 3.620 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)cc1 ZINC000746330217 978681458 /nfs/dbraw/zinc/68/14/58/978681458.db2.gz HLLMQVBQDBHUKY-AWEZNQCLSA-N -1 0 336.391 3.525 20 0 EHADRM C/C(=C\c1cccc(Cl)c1)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000761743646 978714656 /nfs/dbraw/zinc/71/46/56/978714656.db2.gz DMCJXOKIJWNKNJ-JIIJFUIFSA-N -1 0 343.810 3.728 20 0 EHADRM CC[C@@H](NC(=O)c1cc(C(=O)[O-])ccc1Cl)c1nc(C)cs1 ZINC000811816747 978860660 /nfs/dbraw/zinc/86/06/60/978860660.db2.gz GKCANMCTDMYYPE-GFCCVEGCSA-N -1 0 338.816 3.684 20 0 EHADRM Cc1ccccc1C1(CNC(=O)c2cc(C(=O)[O-])ccc2Cl)CC1 ZINC000811818644 978862418 /nfs/dbraw/zinc/86/24/18/978862418.db2.gz SRLVAQZKICGYPP-UHFFFAOYSA-N -1 0 343.810 3.808 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000811821582 978865511 /nfs/dbraw/zinc/86/55/11/978865511.db2.gz JTYPINFHSYFMOX-ZIAGYGMSSA-N -1 0 339.844 3.538 20 0 EHADRM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1ccc(F)c2ccccc12 ZINC000820802524 978925919 /nfs/dbraw/zinc/92/59/19/978925919.db2.gz CAGLCIUZXRXOMA-LJQANCHMSA-N -1 0 349.361 3.631 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cc3cccc(Cl)c3o2)C1 ZINC000823855271 978939597 /nfs/dbraw/zinc/93/95/97/978939597.db2.gz LQZSJTHUEKPODF-NSHDSACASA-N -1 0 335.787 3.803 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)CCCC(=O)c1c(C)cc(C)cc1C ZINC000828623373 978986336 /nfs/dbraw/zinc/98/63/36/978986336.db2.gz OFTWGQLMZIMXAH-HXUWFJFHSA-N -1 0 347.455 3.724 20 0 EHADRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)C[C@H]1C=CCC1 ZINC000832847899 979049493 /nfs/dbraw/zinc/04/94/93/979049493.db2.gz BOFMPDFPMQSDIH-JTQLQIEISA-N -1 0 338.201 3.751 20 0 EHADRM Cc1cc(F)cc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c1 ZINC000832887624 979052820 /nfs/dbraw/zinc/05/28/20/979052820.db2.gz ROEYPZZNZQORKH-INIZCTEOSA-N -1 0 329.371 3.716 20 0 EHADRM Cc1ccccc1-c1cnc(CN(C)Cc2ccc(C(=O)[O-])cc2)o1 ZINC000832974007 979063420 /nfs/dbraw/zinc/06/34/20/979063420.db2.gz JFRMSOVTYWLHNT-UHFFFAOYSA-N -1 0 336.391 3.980 20 0 EHADRM Cc1ncc(C(=O)O[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)s1 ZINC000833007966 979067322 /nfs/dbraw/zinc/06/73/22/979067322.db2.gz INQXRXKHIFETLC-NSHDSACASA-N -1 0 346.191 3.741 20 0 EHADRM CC[C@@H](C)n1nc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1C ZINC001595022235 979102389 /nfs/dbraw/zinc/10/23/89/979102389.db2.gz ISIVOASYJSDGMV-GFCCVEGCSA-N -1 0 343.427 3.777 20 0 EHADRM CC[C@H](C)n1ncc(C(=O)OCc2cc(C(=O)[O-])ccc2C)c1C ZINC001595026386 979135649 /nfs/dbraw/zinc/13/56/49/979135649.db2.gz IAXZRMKYODFQDC-LBPRGKRZSA-N -1 0 330.384 3.526 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)Nc2cccc(C(=O)[O-])c2OC)c1C ZINC001595026426 979135940 /nfs/dbraw/zinc/13/59/40/979135940.db2.gz IVPOVFLMMBEJNR-JTQLQIEISA-N -1 0 346.387 3.513 20 0 EHADRM CC[C@H](C)n1nccc1C(=O)Nc1ccc(OC(C)C)cc1C(=O)[O-] ZINC001595028033 979147440 /nfs/dbraw/zinc/14/74/40/979147440.db2.gz BXCHTCFVDMKLOM-LBPRGKRZSA-N -1 0 345.399 3.592 20 0 EHADRM CC[C@H](C)n1nccc1C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001595029104 979155462 /nfs/dbraw/zinc/15/54/62/979155462.db2.gz UTAWDMHIDDZJDB-QMMMGPOBSA-N -1 0 339.754 3.597 20 0 EHADRM CC[C@H](CC(=O)N(CC(=O)[O-])c1ccccc1)c1ccc(OC)cc1 ZINC001595030204 979164843 /nfs/dbraw/zinc/16/48/43/979164843.db2.gz LOAFQLXTIAVFAD-OAHLLOKOSA-N -1 0 341.407 3.697 20 0 EHADRM CC[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001595036296 979192795 /nfs/dbraw/zinc/19/27/95/979192795.db2.gz RHXGPEJZJJFUEJ-BBRMVZONSA-N -1 0 331.412 3.617 20 0 EHADRM CC[C@H](CC(=O)Nc1cc(C)[nH]c1C(=O)[O-])c1ccc(OC)cc1 ZINC001595037320 979205730 /nfs/dbraw/zinc/20/57/30/979205730.db2.gz ZKJCVQQAGDJACU-GFCCVEGCSA-N -1 0 330.384 3.552 20 0 EHADRM C[C@@H](CNc1ncc(C(=O)[O-])cn1)c1c(Cl)cccc1Cl ZINC001592728198 979235313 /nfs/dbraw/zinc/23/53/13/979235313.db2.gz CKAFAMPNZVCTCG-QMMMGPOBSA-N -1 0 326.183 3.697 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)CSc1ncnc2sc(C)cc21 ZINC001595045186 979251477 /nfs/dbraw/zinc/25/14/77/979251477.db2.gz GROWINRPCHRNTI-UHFFFAOYSA-N -1 0 338.454 3.552 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)CSc1nnc(-c2ccccc2C)o1 ZINC001595045617 979255457 /nfs/dbraw/zinc/25/54/57/979255457.db2.gz RWQFKZFPMUOFHY-UHFFFAOYSA-N -1 0 348.424 3.597 20 0 EHADRM CCC(CC)(C(=O)[O-])c1csc(COc2ccc(OC)cc2)n1 ZINC001595048184 979265449 /nfs/dbraw/zinc/26/54/49/979265449.db2.gz WRGCTMIRRKQOMX-UHFFFAOYSA-N -1 0 335.425 3.873 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC001595050610 979278715 /nfs/dbraw/zinc/27/87/15/979278715.db2.gz UHLCYIVSMLDDDY-UHFFFAOYSA-N -1 0 345.399 3.860 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@H](C)Oc1ccc2ccccc2c1 ZINC001595053719 979288969 /nfs/dbraw/zinc/28/89/69/979288969.db2.gz SBEJXVOTLRKHOJ-AWEZNQCLSA-N -1 0 343.423 3.757 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)cc1 ZINC000842523624 979318157 /nfs/dbraw/zinc/31/81/57/979318157.db2.gz RJFMQVFEPPGRLB-UHFFFAOYSA-N -1 0 331.397 3.536 20 0 EHADRM CCC(CC)(CCSc1nncn1-c1ccccc1OC)C(=O)[O-] ZINC001595062731 979320470 /nfs/dbraw/zinc/32/04/70/979320470.db2.gz FLGRPXZUUWXIDY-UHFFFAOYSA-N -1 0 349.456 3.649 20 0 EHADRM CC(C)c1ccc(CC2CCN(C(=O)CCCC(=O)[O-])CC2)cc1 ZINC000843330810 979339365 /nfs/dbraw/zinc/33/93/65/979339365.db2.gz VQCHJRKEHOWARS-UHFFFAOYSA-N -1 0 331.456 3.846 20 0 EHADRM Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)CCCC(=O)[O-] ZINC000844246576 979391581 /nfs/dbraw/zinc/39/15/81/979391581.db2.gz XMRBKEYDQSYTDU-OAHLLOKOSA-N -1 0 331.437 3.711 20 0 EHADRM CCC(CC)CCCN(C)C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC001595109936 979449151 /nfs/dbraw/zinc/44/91/51/979449151.db2.gz UMSQLYBWNPOALE-UHFFFAOYSA-N -1 0 341.477 3.840 20 0 EHADRM CCC(CC)[C@@H]1C[C@@H](NC(=O)Nc2ccc(C(=O)[O-])cc2C)CCO1 ZINC001595110218 979453835 /nfs/dbraw/zinc/45/38/35/979453835.db2.gz UZSMESPLJSVVNH-RDJZCZTQSA-N -1 0 348.443 3.799 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2N)cc1 ZINC001595121243 979487649 /nfs/dbraw/zinc/48/76/49/979487649.db2.gz HKOJWPWNXBJVAJ-UHFFFAOYSA-N -1 0 342.395 3.787 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)N(C[C@H](C)C(=O)[O-])C2CC2)cc1 ZINC001595121366 979489598 /nfs/dbraw/zinc/48/95/98/979489598.db2.gz KBHGPTCOJWQDHA-ZDUSSCGKSA-N -1 0 333.428 3.579 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC001595121364 979489706 /nfs/dbraw/zinc/48/97/06/979489706.db2.gz KBHGPTCOJWQDHA-CYBMUJFWSA-N -1 0 333.428 3.579 20 0 EHADRM CCC[C@H](C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000851604531 979528012 /nfs/dbraw/zinc/52/80/12/979528012.db2.gz AIMVWKLOOJDMDE-MAZHCROVSA-N -1 0 337.847 3.793 20 0 EHADRM CC[C@H](CCc1ccccc1)NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001595129184 979531910 /nfs/dbraw/zinc/53/19/10/979531910.db2.gz FEJRZBAWWLBWCU-MRXNPFEDSA-N -1 0 326.396 3.918 20 0 EHADRM CC(C)(C)c1ccc(CCC(=O)NCc2ccoc2C(=O)[O-])cc1 ZINC000851618141 979542912 /nfs/dbraw/zinc/54/29/12/979542912.db2.gz IZCDWRRYUCSSGC-UHFFFAOYSA-N -1 0 329.396 3.524 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)/C=C\SCc2ccco2)[C@@H]2CCCC[C@@H]12 ZINC000851619857 979548375 /nfs/dbraw/zinc/54/83/75/979548375.db2.gz XYLUGMWWARPVQG-KUNLYSJHSA-N -1 0 349.452 3.518 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000851619653 979548869 /nfs/dbraw/zinc/54/88/69/979548869.db2.gz WMDKRVPFTCIJLE-LPJXYHDHSA-N -1 0 345.414 3.721 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001592830041 979551468 /nfs/dbraw/zinc/55/14/68/979551468.db2.gz GITOMUBIKJMUHF-QMTMVMCOSA-N -1 0 347.480 3.518 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC001592830402 979554975 /nfs/dbraw/zinc/55/49/75/979554975.db2.gz RELUJVCFYMOGPK-AWEZNQCLSA-N -1 0 335.469 3.661 20 0 EHADRM CC(C)c1ccc(C[C@H](C)NC(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC001592834247 979574290 /nfs/dbraw/zinc/57/42/90/979574290.db2.gz NVFBALPNTUAHMP-ZDUSSCGKSA-N -1 0 344.411 3.532 20 0 EHADRM O=C([O-])[C@H]1CN(Cc2cc(Cl)nc(Cl)c2)Cc2ccccc21 ZINC000852736195 979583032 /nfs/dbraw/zinc/58/30/32/979583032.db2.gz LMBSICSXOHFDIA-ZDUSSCGKSA-N -1 0 337.206 3.572 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CC[C@@H]2CC2(Cl)Cl)c2ccccc21 ZINC000852945519 979587469 /nfs/dbraw/zinc/58/74/69/979587469.db2.gz QIHGXPHOMMQJJF-ZYHUDNBSSA-N -1 0 342.222 3.566 20 0 EHADRM C[C@@](Cc1ccc(Cl)cc1)(NC(=O)[C@H]1CC2CCC1CC2)C(=O)[O-] ZINC001592838939 979593135 /nfs/dbraw/zinc/59/31/35/979593135.db2.gz SDNQGHWQXZUBJW-SCSWLTEQSA-N -1 0 349.858 3.668 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001592853266 979643323 /nfs/dbraw/zinc/64/33/23/979643323.db2.gz FMNIWXKFPTYQIF-YJYMSZOUSA-N -1 0 335.419 3.544 20 0 EHADRM CC[C@H](CNC(=O)Nc1cccc(COC(C)(C)C)c1C)C(=O)[O-] ZINC001595155723 979667315 /nfs/dbraw/zinc/66/73/15/979667315.db2.gz YMQOIDOIUWMMNK-CYBMUJFWSA-N -1 0 336.432 3.542 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)[C@@H]2CCCC(F)(F)C2)cc1)C(=O)[O-] ZINC001592858641 979673564 /nfs/dbraw/zinc/67/35/64/979673564.db2.gz RYUVIAWJIPLVJO-WCQYABFASA-N -1 0 325.355 3.714 20 0 EHADRM CC[C@H](CNC(=O)c1ccc(-c2cccc3cccnc32)cc1)C(=O)[O-] ZINC001595160260 979683608 /nfs/dbraw/zinc/68/36/08/979683608.db2.gz FIBOZJPTYJITMC-CQSZACIVSA-N -1 0 348.402 3.742 20 0 EHADRM CC(C)[C@H]1N(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)CC12CCC2 ZINC001592861801 979702884 /nfs/dbraw/zinc/70/28/84/979702884.db2.gz XHDOKHQZVVFHBO-WMLDXEAASA-N -1 0 344.455 3.992 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)/C=C/c2ccc(C(=O)[O-])o2)o1 ZINC000864113495 979705232 /nfs/dbraw/zinc/70/52/32/979705232.db2.gz UPJHJTHZDRIIDK-ITPJJHHZSA-N -1 0 343.379 3.892 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1cc2c(cccc2C2CC2)[nH]1 ZINC000864120082 979715648 /nfs/dbraw/zinc/71/56/48/979715648.db2.gz CLSVWHOCQGKFIJ-UHFFFAOYSA-N -1 0 328.412 3.810 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)NC2CCC(F)(F)CC2)cc1)C(=O)[O-] ZINC001592867986 979717656 /nfs/dbraw/zinc/71/76/56/979717656.db2.gz UKZCOXZXZNJYFC-LLVKDONJSA-N -1 0 340.370 3.649 20 0 EHADRM O=C([O-])C1(CNC(=O)/C=C\c2ccsc2C(F)(F)F)CCCC1 ZINC000864122746 979720071 /nfs/dbraw/zinc/72/00/71/979720071.db2.gz VKKBSJZKZAUWQJ-ARJAWSKDSA-N -1 0 347.358 3.541 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2ccc(-c3cn[nH]c3)cc2)cc1)C(=O)[O-] ZINC001592873579 979736712 /nfs/dbraw/zinc/73/67/12/979736712.db2.gz WRCJGEAEEKJSCU-ZDUSSCGKSA-N -1 0 349.390 3.592 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2CCCC23CC3)ccc1N1CCCCC1 ZINC000864149806 979758824 /nfs/dbraw/zinc/75/88/24/979758824.db2.gz OYRJAOUQTLMBRP-MRXNPFEDSA-N -1 0 342.439 3.894 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)N[C@@H](CC(=O)[O-])C1CCCC1 ZINC001592883415 979760151 /nfs/dbraw/zinc/76/01/51/979760151.db2.gz QMMBMLCTAWKIGJ-LRDDRELGSA-N -1 0 337.847 3.668 20 0 EHADRM C[C@@](Cc1ccccc1)(NC(=O)/C=C\c1cc(C(=O)[O-])co1)C1CC1 ZINC000864153712 979764239 /nfs/dbraw/zinc/76/42/39/979764239.db2.gz HAXFOAJONJVSBA-QJRAZLAKSA-N -1 0 339.391 3.519 20 0 EHADRM CC[C@@H](CNc1ncnc2scc(-c3cccs3)c21)C(=O)[O-] ZINC001595176329 979765319 /nfs/dbraw/zinc/76/53/19/979765319.db2.gz QVQXELIOCODODV-VIFPVBQESA-N -1 0 333.438 3.943 20 0 EHADRM Cc1ccc([C@@H]2CCN(C(=O)c3ccc(C)c(C(=O)[O-])c3)C2)c(C)c1 ZINC000864158276 979770912 /nfs/dbraw/zinc/77/09/12/979770912.db2.gz HCBVNRTZEHUFBB-QGZVFWFLSA-N -1 0 337.419 3.940 20 0 EHADRM C[C@@H](Cc1ccccc1)NC(=S)Nc1cccc(CCC(=O)[O-])c1 ZINC001592890587 979778517 /nfs/dbraw/zinc/77/85/17/979778517.db2.gz GLPYQIFJNJFRBE-AWEZNQCLSA-N -1 0 342.464 3.621 20 0 EHADRM C[C@H](Cc1ccccc1Cl)NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001592890810 979779820 /nfs/dbraw/zinc/77/98/20/979779820.db2.gz LCEYTHAJWTTYCP-LLVKDONJSA-N -1 0 332.787 3.791 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001592891212 979782744 /nfs/dbraw/zinc/78/27/44/979782744.db2.gz NSORUBVAPJPHOR-LBPRGKRZSA-N -1 0 347.798 3.621 20 0 EHADRM C[C@@H](Cc1ccco1)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001592899199 979813425 /nfs/dbraw/zinc/81/34/25/979813425.db2.gz DLFFTXXJFJVQCF-QMMMGPOBSA-N -1 0 325.723 3.588 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCCN2C(=O)c1cc(C(=O)[O-])ccn1 ZINC000864176959 979821035 /nfs/dbraw/zinc/82/10/35/979821035.db2.gz AMAUCMMYCKEJPO-UHFFFAOYSA-N -1 0 338.407 3.670 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000864178005 979823382 /nfs/dbraw/zinc/82/33/82/979823382.db2.gz VMKIUYLXVGGNBJ-VXPCJVONSA-N -1 0 339.391 3.784 20 0 EHADRM CCc1ccc(N(CC2CC2)C(=O)c2ccc(/C=C\C(=O)[O-])o2)cc1 ZINC000864188789 979837096 /nfs/dbraw/zinc/83/70/96/979837096.db2.gz KOEYQKUDKBQGGX-BENRWUELSA-N -1 0 339.391 3.997 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)C2([C@@H]3CCCCO3)CCC2)cc1 ZINC000864189990 979840828 /nfs/dbraw/zinc/84/08/28/979840828.db2.gz TVGYNOQHCCXTLL-BBWFWOEESA-N -1 0 343.423 3.553 20 0 EHADRM C[C@@H](Cn1ccc2ccccc21)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC001592918500 979906284 /nfs/dbraw/zinc/90/62/84/979906284.db2.gz LOSGQCWVQCDZHX-AWEZNQCLSA-N -1 0 348.402 3.518 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)[C@H]2CCCc3ccccc32)c1 ZINC000864228408 979919430 /nfs/dbraw/zinc/91/94/30/979919430.db2.gz DAGLEHPLPZMCBE-RBUKOAKNSA-N -1 0 337.419 3.747 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)[C@H](C)c2c(F)cccc2F)c1 ZINC000864233701 979932123 /nfs/dbraw/zinc/93/21/23/979932123.db2.gz YRAKUTXRFNJAPT-WBMJQRKESA-N -1 0 347.361 3.709 20 0 EHADRM CC(C)(C)c1csc(CN[C@@H](C(=O)[O-])c2cc(F)ccc2F)n1 ZINC000864508168 979938462 /nfs/dbraw/zinc/93/84/62/979938462.db2.gz VUYRZNRDBCCKKN-CQSZACIVSA-N -1 0 340.395 3.634 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC001595211127 979988007 /nfs/dbraw/zinc/98/80/07/979988007.db2.gz PYQGBCZLRKCWMX-INIZCTEOSA-N -1 0 337.419 3.851 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC001595211359 979991800 /nfs/dbraw/zinc/99/18/00/979991800.db2.gz SXQAUBNWEMUSBS-HOTGVXAUSA-N -1 0 345.464 3.957 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001595211378 979992102 /nfs/dbraw/zinc/99/21/02/979992102.db2.gz TUSMDHYMZKDESG-SJLPKXTDSA-N -1 0 337.419 3.779 20 0 EHADRM CC(C)(CNc1ncc(C(=O)[O-])cc1C(F)(F)F)C(C)(F)F ZINC001592934829 979994382 /nfs/dbraw/zinc/99/43/82/979994382.db2.gz RSKRXGRYSQRWBJ-UHFFFAOYSA-N -1 0 326.265 3.892 20 0 EHADRM CC(F)(F)C1(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)CC1 ZINC001592936320 980000691 /nfs/dbraw/zinc/00/06/91/980000691.db2.gz SZLZJCVQFBWCRE-UHFFFAOYSA-N -1 0 349.333 3.677 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC001595213164 980005318 /nfs/dbraw/zinc/00/53/18/980005318.db2.gz NRFRUGVYOVPIBI-ZDUSSCGKSA-N -1 0 332.425 3.931 20 0 EHADRM CC(F)(F)CCC(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001592939294 980006257 /nfs/dbraw/zinc/00/62/57/980006257.db2.gz YSAFPFDLLZLBRM-UHFFFAOYSA-N -1 0 336.132 3.521 20 0 EHADRM CC(F)(F)c1ccc(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001592944502 980022529 /nfs/dbraw/zinc/02/25/29/980022529.db2.gz ZTXRLYAGGHSBMR-AWEZNQCLSA-N -1 0 325.355 3.562 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1 ZINC001595220119 980045492 /nfs/dbraw/zinc/04/54/92/980045492.db2.gz VYLUEUWHMYCPEB-AKCHCHLHSA-N -1 0 331.456 3.713 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)Nc1cc(OC)ccc1C(=O)[O-] ZINC001595220386 980048990 /nfs/dbraw/zinc/04/89/90/980048990.db2.gz YTMFOYRHJHCVGM-AWEZNQCLSA-N -1 0 341.407 3.909 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)Nc1cc(OC)ccc1C(=O)[O-] ZINC001595220388 980049111 /nfs/dbraw/zinc/04/91/11/980049111.db2.gz YTMFOYRHJHCVGM-CQSZACIVSA-N -1 0 341.407 3.909 20 0 EHADRM CC[C@@](NC(=O)/C(F)=C/C1CCCCC1)(C(=O)[O-])c1ccccc1 ZINC001595232836 980126808 /nfs/dbraw/zinc/12/68/08/980126808.db2.gz JWMGHCMCXUIBLM-AGWAZZAUSA-N -1 0 333.403 3.926 20 0 EHADRM CC[C@](NC(=O)/C=C\c1ccc2[nH]ccc2c1)(C(=O)[O-])c1ccccc1 ZINC001595237865 980151655 /nfs/dbraw/zinc/15/16/55/980151655.db2.gz XWLNGAWQAYBOAI-FYJQUHEMSA-N -1 0 348.402 3.687 20 0 EHADRM CC[C@@H](NC(=O)Cc1ccc(C(=O)[O-])cc1)c1ccc(Cl)s1 ZINC001595243175 980173090 /nfs/dbraw/zinc/17/30/90/980173090.db2.gz UVKYUNKXBOCFLA-GFCCVEGCSA-N -1 0 337.828 3.910 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2cc(F)ccc2-c2ccoc2)c1 ZINC001595243662 980174856 /nfs/dbraw/zinc/17/48/56/980174856.db2.gz RBGFSRVRWGBBIR-UHFFFAOYSA-N -1 0 339.322 3.714 20 0 EHADRM CC[C@@H](NC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)c1cccc2ccccc21 ZINC001595248701 980199741 /nfs/dbraw/zinc/19/97/41/980199741.db2.gz CQJYTXFQYFUEII-FSPWUOQZSA-N -1 0 340.423 3.653 20 0 EHADRM O=C([O-])c1ccc([C@@H]2Nc3c4ccccc4sc3C(=O)N2)cc1F ZINC000877852811 980204325 /nfs/dbraw/zinc/20/43/25/980204325.db2.gz DZUPVMCJVANEIY-OAHLLOKOSA-N -1 0 342.351 3.593 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2ccc(Cl)c3occc32)C1 ZINC000899299675 980225990 /nfs/dbraw/zinc/22/59/90/980225990.db2.gz ZQWWGXDWCQTLGT-LLVKDONJSA-N -1 0 335.787 3.803 20 0 EHADRM C[C@H](NC(=O)/C=C\C1CCCCCC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593008400 980231267 /nfs/dbraw/zinc/23/12/67/980231267.db2.gz GKDWHNLABVZUHL-IMGVLKLJSA-N -1 0 343.467 3.961 20 0 EHADRM CC[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccc1C)c1ccc(OC)cc1 ZINC001595253536 980232751 /nfs/dbraw/zinc/23/27/51/980232751.db2.gz ZWHMOEWCSSGVRV-MRXNPFEDSA-N -1 0 342.395 3.975 20 0 EHADRM C[C@@H](NCc1ccccc1N1CCCCC1)c1ncc(C(=O)[O-])s1 ZINC000900041935 980239594 /nfs/dbraw/zinc/23/95/94/980239594.db2.gz WFBYUGMUZOAIEV-CYBMUJFWSA-N -1 0 345.468 3.682 20 0 EHADRM O=C([O-])c1cc2n(n1)CCC[C@H]2NCc1csc(Cl)c1Cl ZINC000900071216 980243334 /nfs/dbraw/zinc/24/33/34/980243334.db2.gz PSAHBHLMAAPHIC-MRVPVSSYSA-N -1 0 346.239 3.574 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(C)c(C(=O)[O-])c1)c1ccc(OC)cc1 ZINC001595258259 980252974 /nfs/dbraw/zinc/25/29/74/980252974.db2.gz YDZHTGWQGANQOY-KRWDZBQOSA-N -1 0 342.395 3.975 20 0 EHADRM C[C@@H](NC(=O)CCc1ccccc1C(=O)[O-])c1c(F)cccc1Cl ZINC001593019669 980272458 /nfs/dbraw/zinc/27/24/58/980272458.db2.gz FDJMLIISORZDQW-LLVKDONJSA-N -1 0 349.789 3.987 20 0 EHADRM CC[C@](NC(=O)c1cc(C)cs1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595264960 980272545 /nfs/dbraw/zinc/27/25/45/980272545.db2.gz FZXAEMUWILUNNU-MRXNPFEDSA-N -1 0 337.828 3.830 20 0 EHADRM CCCCc1nc(C)c(CC(=O)Nc2cccc(CC(=O)[O-])c2)s1 ZINC000901436940 980285050 /nfs/dbraw/zinc/28/50/50/980285050.db2.gz DINHDDIDRGUVMZ-UHFFFAOYSA-N -1 0 346.452 3.602 20 0 EHADRM Cc1nc(C2CCC2)sc1CC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000901478012 980307524 /nfs/dbraw/zinc/30/75/24/980307524.db2.gz RNNZLQHPVCPNHP-UHFFFAOYSA-N -1 0 344.436 3.907 20 0 EHADRM CC[C@H](N[C@H](C)c1ncc(C(=O)[O-])s1)c1cc(F)ccc1OC ZINC001595281202 980331879 /nfs/dbraw/zinc/33/18/79/980331879.db2.gz KHBAQHVBUONVJY-SKDRFNHKSA-N -1 0 338.404 3.791 20 0 EHADRM C[C@H](NC(=O)N(C)C1CCC(C)(C)CC1)c1ncc(C(=O)[O-])s1 ZINC001593052077 980352013 /nfs/dbraw/zinc/35/20/13/980352013.db2.gz VOBVZJPGKHPMPX-JTQLQIEISA-N -1 0 339.461 3.513 20 0 EHADRM CC(C)(CCNC(=O)c1sc2cccc(F)c2c1Cl)C(=O)[O-] ZINC000901690405 980451912 /nfs/dbraw/zinc/45/19/12/980451912.db2.gz MMVPLDVDFHTDCO-UHFFFAOYSA-N -1 0 343.807 3.925 20 0 EHADRM CC[C@](NCc1ncoc1C(C)C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595305815 980451963 /nfs/dbraw/zinc/45/19/63/980451963.db2.gz MVCRRITZKWZMPC-QGZVFWFLSA-N -1 0 336.819 3.931 20 0 EHADRM C[C@H](Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1)C1CCOCC1 ZINC000901774662 980505491 /nfs/dbraw/zinc/50/54/91/980505491.db2.gz KQWSBPYYZCFMPS-AWEZNQCLSA-N -1 0 332.444 3.602 20 0 EHADRM CC[C@](O)(CC(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1)c1ccccc1 ZINC001595321214 980508201 /nfs/dbraw/zinc/50/82/01/980508201.db2.gz GMIQXVZZDIOPPH-DJJJIMSYSA-N -1 0 346.379 3.578 20 0 EHADRM CC[C@@H](Nc1ncc(C(=O)[O-])cc1Cl)c1ccc2c(c1)OCCO2 ZINC001595322919 980518128 /nfs/dbraw/zinc/51/81/28/980518128.db2.gz ODQCLIDPXRNTNG-CYBMUJFWSA-N -1 0 348.786 3.768 20 0 EHADRM CC(C)(CC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)CC(F)(F)F ZINC000902017513 980694242 /nfs/dbraw/zinc/69/42/42/980694242.db2.gz PUXFOTGUZJUKHW-OLZOCXBDSA-N -1 0 343.345 3.785 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)Nc1ccc(OC(C)C)cc1C(=O)[O-] ZINC001595355738 980705050 /nfs/dbraw/zinc/70/50/50/980705050.db2.gz LFISZQBJFJNYAL-KRWDZBQOSA-N -1 0 349.427 3.848 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC001595355917 980707213 /nfs/dbraw/zinc/70/72/13/980707213.db2.gz RGCWLKYGGBXNIC-SFHVURJKSA-N -1 0 345.439 3.792 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC001595358454 980732585 /nfs/dbraw/zinc/73/25/85/980732585.db2.gz KLTKXJNYYIAYSR-HOTGVXAUSA-N -1 0 335.469 3.707 20 0 EHADRM Cc1cc(CNc2ccc(C(=O)NC3CCCC3)cc2)oc1C(=O)[O-] ZINC000902104778 980736412 /nfs/dbraw/zinc/73/64/12/980736412.db2.gz GGZUKDULLPFMTL-UHFFFAOYSA-N -1 0 342.395 3.571 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)/C(C)=C/c1cccnc1 ZINC001595359974 980746335 /nfs/dbraw/zinc/74/63/35/980746335.db2.gz OTCNOYZBPMRCJS-XOVFHRFOSA-N -1 0 338.407 3.549 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccc(C(F)F)nc1 ZINC001595360493 980752595 /nfs/dbraw/zinc/75/25/95/980752595.db2.gz IHLWXDNCSCFHME-HNNXBMFYSA-N -1 0 348.349 3.697 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccc(F)c(OC)c1 ZINC001595361321 980761495 /nfs/dbraw/zinc/76/14/95/980761495.db2.gz VUHHQIRLBAOQIZ-INIZCTEOSA-N -1 0 345.370 3.512 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@H](C)Cc1ccccc1 ZINC001595361851 980765679 /nfs/dbraw/zinc/76/56/79/980765679.db2.gz QFWQHSQENWCPDD-VQIMIIECSA-N -1 0 339.435 3.930 20 0 EHADRM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000902171484 980766892 /nfs/dbraw/zinc/76/68/92/980766892.db2.gz JKVAHEFFQHQXOH-NUEKZKHPSA-N -1 0 346.471 3.634 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)Cc1ccsc1C ZINC001595362053 980767872 /nfs/dbraw/zinc/76/78/72/980767872.db2.gz VFCPVAWIZWIGAJ-MRXNPFEDSA-N -1 0 331.437 3.664 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)Cc1ccsc1C ZINC001595362052 980767886 /nfs/dbraw/zinc/76/78/86/980767886.db2.gz VFCPVAWIZWIGAJ-INIZCTEOSA-N -1 0 331.437 3.664 20 0 EHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@H]1Nc1cccc(NC(=O)c2ccoc2)c1 ZINC000902203491 980782042 /nfs/dbraw/zinc/78/20/42/980782042.db2.gz MTOPWSTYFUHFQG-PBFPGSCMSA-N -1 0 342.395 3.833 20 0 EHADRM CC[C@H](c1nnc(NCc2ccc(C(=O)[O-])o2)s1)c1ccccc1 ZINC001595363640 980784797 /nfs/dbraw/zinc/78/47/97/980784797.db2.gz GNLAOBZEALHHBZ-ZDUSSCGKSA-N -1 0 343.408 3.983 20 0 EHADRM CCc1oc(CNC[C@H](OC2CCCC2)C(F)(F)F)cc1C(=O)[O-] ZINC000902219891 980788033 /nfs/dbraw/zinc/78/80/33/980788033.db2.gz YFKIIPBKLJYDJH-AWEZNQCLSA-N -1 0 349.349 3.520 20 0 EHADRM O=C(N=c1nc(-c2ccsc2)[n-]s1)c1coc(C2CCCC2)n1 ZINC000584303472 1032101316 /nfs/dbraw/zinc/10/13/16/1032101316.db2.gz ORCSZEXHEMBASW-UHFFFAOYSA-N -1 0 346.437 3.586 20 0 EHADRM Cc1ccc(NC2CCC(CC(=O)[O-])CC2)cc1C(=O)NC(C)C ZINC000902241504 980797228 /nfs/dbraw/zinc/79/72/28/980797228.db2.gz ZHICLPZREZRSQG-UHFFFAOYSA-N -1 0 332.444 3.579 20 0 EHADRM COc1cccc(CNCc2ccoc2C(=O)[O-])c1OC1CCCC1 ZINC000902252645 980799811 /nfs/dbraw/zinc/79/98/11/980799811.db2.gz HKRBAHYUJGAPTD-UHFFFAOYSA-N -1 0 345.395 3.598 20 0 EHADRM CCc1oc(CN[C@@H](C)c2ccc(C(F)(F)F)nc2)cc1C(=O)[O-] ZINC000902264214 980808320 /nfs/dbraw/zinc/80/83/20/980808320.db2.gz VIHYSPDDUIPDDI-VIFPVBQESA-N -1 0 342.317 3.805 20 0 EHADRM CCC1(C(=O)Nc2ccc(O[C@@H](C)C(=O)[O-])c(F)c2)CCCCC1 ZINC001595368027 980822087 /nfs/dbraw/zinc/82/20/87/980822087.db2.gz QQVHPZCZMVTTDX-LBPRGKRZSA-N -1 0 337.391 3.977 20 0 EHADRM CC[C@]1(C)CN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CCO1 ZINC001595370071 980838718 /nfs/dbraw/zinc/83/87/18/980838718.db2.gz ADWSCBPSUDFHPG-DZGCQCFKSA-N -1 0 332.227 3.620 20 0 EHADRM C[C@@H](CC(C)(C)CC(=O)[O-])N[C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000902362158 980853089 /nfs/dbraw/zinc/85/30/89/980853089.db2.gz AELWAAQOFLARKN-KBPBESRZSA-N -1 0 345.443 3.591 20 0 EHADRM CCC1(CC)Oc2ccc(NCc3cc(C)c(C(=O)[O-])[nH]3)cc2O1 ZINC001595376699 980907688 /nfs/dbraw/zinc/90/76/88/980907688.db2.gz JDYUPMYFEABRBS-UHFFFAOYSA-N -1 0 330.384 3.921 20 0 EHADRM CC[C@]1(CCc2ccccc2)CCCN1c1ncc(C(=O)[O-])cn1 ZINC001595376744 980908193 /nfs/dbraw/zinc/90/81/93/980908193.db2.gz LIIPJNVJDWARKT-LJQANCHMSA-N -1 0 325.412 3.557 20 0 EHADRM CO[C@H](CNc1ccc(SC)c(C(=O)[O-])c1)Cc1ccccc1 ZINC000902569199 980938082 /nfs/dbraw/zinc/93/80/82/980938082.db2.gz FZPZQHVYSWTQRU-HNNXBMFYSA-N -1 0 331.437 3.776 20 0 EHADRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)NC1(CC(=O)[O-])CCCC1 ZINC000902770378 980944078 /nfs/dbraw/zinc/94/40/78/980944078.db2.gz KPTWGZKPOYTCEJ-UHFFFAOYSA-N -1 0 334.803 3.647 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N(Cc2cccc(F)c2)C2CCC2)C1 ZINC000902840451 980945568 /nfs/dbraw/zinc/94/55/68/980945568.db2.gz CBQLYTPKTAZIQB-CABCVRRESA-N -1 0 333.403 3.598 20 0 EHADRM CC[C@@H]1C[C@H](CNc2ccc(N3CCCCC3)c(C(=O)[O-])c2)CCO1 ZINC001595412258 981009589 /nfs/dbraw/zinc/00/95/89/981009589.db2.gz BISRZYKGELNHIB-NVXWUHKLSA-N -1 0 346.471 3.992 20 0 EHADRM Cc1nc(C(C)C)sc1[C@H](C)N(C)Cc1cncc(C(=O)[O-])c1 ZINC000903898288 981027009 /nfs/dbraw/zinc/02/70/09/981027009.db2.gz ODPFCFAICITKLI-LBPRGKRZSA-N -1 0 333.457 3.861 20 0 EHADRM CCC1CCC(N(C(=O)/C=C\c2ccc(C(=O)[O-])o2)C2CC2)CC1 ZINC001595415673 981030057 /nfs/dbraw/zinc/03/00/57/981030057.db2.gz JZIQQYIMEYUTJF-BENRWUELSA-N -1 0 331.412 3.951 20 0 EHADRM CCC1CCC(NC(=O)c2ccc3nc(C)ccc3c2)(C(=O)[O-])CC1 ZINC001595424586 981042841 /nfs/dbraw/zinc/04/28/41/981042841.db2.gz FRGCKTDCQRAUIQ-UHFFFAOYSA-N -1 0 340.423 3.697 20 0 EHADRM CC[C@H]1CCC[C@H]1C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001595435409 981064479 /nfs/dbraw/zinc/06/44/79/981064479.db2.gz JMGODTBADYAMPZ-CMPLNLGQSA-N -1 0 341.354 3.794 20 0 EHADRM CC[C@@H]1CCC[C@@]1(C)C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC001595436088 981067468 /nfs/dbraw/zinc/06/74/68/981067468.db2.gz OVSPTAREQQKFHW-VNBZBWLYSA-N -1 0 337.391 3.833 20 0 EHADRM CC[C@@H]1CCC[C@H]1C(=O)N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001595436733 981070786 /nfs/dbraw/zinc/07/07/86/981070786.db2.gz VBNXNHDQITVDDC-LERXQTSPSA-N -1 0 343.345 3.774 20 0 EHADRM CC[C@@H]1CCC[C@@H]1C(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC001595436972 981072876 /nfs/dbraw/zinc/07/28/76/981072876.db2.gz ZCULUKRCNGIJMD-HIFRSBDPSA-N -1 0 341.411 3.644 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1CNC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001595442342 981082148 /nfs/dbraw/zinc/08/21/48/981082148.db2.gz ZDHPUTVEGDMBIA-TZMCWYRMSA-N -1 0 336.407 3.540 20 0 EHADRM CC[C@H](CNC(=O)Nc1cc(Cl)ccc1C(C)(C)C)C(=O)[O-] ZINC000905056070 981088028 /nfs/dbraw/zinc/08/80/28/981088028.db2.gz OJEOSAQQPBTSMN-SNVBAGLBSA-N -1 0 326.824 3.870 20 0 EHADRM Cc1ccc(-c2cccnc2)cc1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000905115831 981089386 /nfs/dbraw/zinc/08/93/86/981089386.db2.gz OJKPXQXWYULMIM-CVEARBPZSA-N -1 0 338.407 3.887 20 0 EHADRM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001595446659 981093387 /nfs/dbraw/zinc/09/33/87/981093387.db2.gz ASDXYLUAPJQVHI-IINYFYTJSA-N -1 0 341.354 3.587 20 0 EHADRM CC[C@H]1CCCC[C@H]1OCCOC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001595447668 981095819 /nfs/dbraw/zinc/09/58/19/981095819.db2.gz IPUMETFCIOUMKU-WINGESFGSA-N -1 0 338.444 3.550 20 0 EHADRM COc1cccc([C@H](NCc2csc(C3CCCC3)n2)C(=O)[O-])c1 ZINC000905397788 981116490 /nfs/dbraw/zinc/11/64/90/981116490.db2.gz ZMAXEHCAEXDMQW-INIZCTEOSA-N -1 0 346.452 3.725 20 0 EHADRM CC[C@@H]1CCCN(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)C1 ZINC001595453385 981118769 /nfs/dbraw/zinc/11/87/69/981118769.db2.gz PIKBKINMGIILLN-SECBINFHSA-N -1 0 328.771 3.831 20 0 EHADRM CCC1CCN(C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)CC1 ZINC001595459253 981137083 /nfs/dbraw/zinc/13/70/83/981137083.db2.gz DWQFDKPMWYHCNR-UHFFFAOYSA-N -1 0 334.416 3.826 20 0 EHADRM Cc1noc(Cc2ccc(N[C@H](C)CC(C)(C)CC(=O)[O-])cc2)n1 ZINC000905750406 981137909 /nfs/dbraw/zinc/13/79/09/981137909.db2.gz DHFKOHSJUPUUEH-GFCCVEGCSA-N -1 0 331.416 3.660 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2OC)cc1 ZINC000906498744 981170123 /nfs/dbraw/zinc/17/01/23/981170123.db2.gz DLPVTAMLSGSCLZ-LBPRGKRZSA-N -1 0 343.379 3.823 20 0 EHADRM COc1c(NC(=O)c2ccc(OCC(C)C)cc2)cccc1C(=O)[O-] ZINC000906503172 981170655 /nfs/dbraw/zinc/17/06/55/981170655.db2.gz USGPWSMZPZLGHO-UHFFFAOYSA-N -1 0 343.379 3.681 20 0 EHADRM CC[C@@H]1CN(C(=O)CC2(CC(=O)[O-])CCCC2)c2ccccc2O1 ZINC001595470849 981170873 /nfs/dbraw/zinc/17/08/73/981170873.db2.gz DOCPVTKZLKAXSY-CQSZACIVSA-N -1 0 331.412 3.616 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)c1 ZINC000907565726 981192208 /nfs/dbraw/zinc/19/22/08/981192208.db2.gz QDFFNIOPKJJYMV-ASUYLVSUSA-N -1 0 339.391 3.591 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(F)c3occc32)[C@H]2CCCC[C@@H]12 ZINC000907705230 981209118 /nfs/dbraw/zinc/20/91/18/981209118.db2.gz WBLGLIHQOAINNT-PEYYIBSZSA-N -1 0 345.370 3.677 20 0 EHADRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)c3ccccc3Cc3ccccc3)[C@@H]2C1 ZINC000907925640 981239202 /nfs/dbraw/zinc/23/92/02/981239202.db2.gz OJYYWMYCIBAPFI-BWPNAZKDSA-N -1 0 349.430 3.507 20 0 EHADRM CC[C@H]1c2ccccc2CN1C(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001595505171 981282040 /nfs/dbraw/zinc/28/20/40/981282040.db2.gz ZTDGFCPQRGTZCF-INIZCTEOSA-N -1 0 340.379 3.892 20 0 EHADRM O=C([O-])[C@H](CNC(=O)Cc1cccc(C(F)F)c1)CC1CCCC1 ZINC000908289901 981296912 /nfs/dbraw/zinc/29/69/12/981296912.db2.gz UYCOZSHMVKJKHD-HNNXBMFYSA-N -1 0 339.382 3.564 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1ccsc1C(F)F)CC1CCCC1 ZINC000908293809 981298432 /nfs/dbraw/zinc/29/84/32/981298432.db2.gz WBJRLAXRVKJCEN-SNVBAGLBSA-N -1 0 331.384 3.697 20 0 EHADRM Cc1ccccc1C[C@H](C)C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908337939 981302854 /nfs/dbraw/zinc/30/28/54/981302854.db2.gz DXQPRAKKZNNCNL-INIZCTEOSA-N -1 0 331.456 3.715 20 0 EHADRM Cc1[nH]c2ccccc2c1CC(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908345077 981306059 /nfs/dbraw/zinc/30/60/59/981306059.db2.gz XUSNWHXMSSVLQW-UHFFFAOYSA-N -1 0 342.439 3.560 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)CCCc2ccc3ccccc3c2)C1 ZINC000908376329 981310747 /nfs/dbraw/zinc/31/07/47/981310747.db2.gz UIBJCVDEKXLLNX-APWZRJJASA-N -1 0 339.435 3.922 20 0 EHADRM Cc1ccc2c(ccc(C)c2C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC000908658375 981336223 /nfs/dbraw/zinc/33/62/23/981336223.db2.gz AHDNBSCFSDAMPM-QGZVFWFLSA-N -1 0 337.419 3.784 20 0 EHADRM Cc1ccccc1[C@H]1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1 ZINC000908771192 981358302 /nfs/dbraw/zinc/35/83/02/981358302.db2.gz LGBLBLSKIRSBKK-ATIQYGATSA-N -1 0 341.451 3.736 20 0 EHADRM CCC[C@H](Cc1ccccc1)NC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000908778256 981361315 /nfs/dbraw/zinc/36/13/15/981361315.db2.gz HXOSIPUNVALTLL-MDMXATFFSA-N -1 0 343.467 3.939 20 0 EHADRM CCC[C@@H](C(=O)N1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1)C(C)C ZINC001595532161 981371101 /nfs/dbraw/zinc/37/11/01/981371101.db2.gz FXDSLJHPFRNMBZ-CHWSQXEVSA-N -1 0 338.473 3.620 20 0 EHADRM CCC[C@@H](C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2)C(C)C ZINC001595539198 981397630 /nfs/dbraw/zinc/39/76/30/981397630.db2.gz ZWLPSYLKJKCRIY-SNVBAGLBSA-N -1 0 325.430 3.530 20 0 EHADRM CCC[C@](C)(NC(=O)c1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC001595553887 981432549 /nfs/dbraw/zinc/43/25/49/981432549.db2.gz RWTZFSXSQFIKFC-IBGZPJMESA-N -1 0 329.371 3.969 20 0 EHADRM CC1(CC(=O)NCc2ccc(OCCCC(=O)[O-])cc2)CCCC1 ZINC000909267450 981453955 /nfs/dbraw/zinc/45/39/55/981453955.db2.gz PSEQVQJPXOSMNV-UHFFFAOYSA-N -1 0 333.428 3.517 20 0 EHADRM CCC[C@@H]1C[C@H](C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CCO1 ZINC000909272570 981456832 /nfs/dbraw/zinc/45/68/32/981456832.db2.gz QRPAWMCGFJHLBM-QMTHXVAHSA-N -1 0 325.792 3.572 20 0 EHADRM Cc1nc(CC2CC2)sc1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000909283847 981458409 /nfs/dbraw/zinc/45/84/09/981458409.db2.gz LVFNPOFLQZCWJY-UHFFFAOYSA-N -1 0 344.436 3.674 20 0 EHADRM CC[C@H]1C[C@@H](CC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CCO1 ZINC000909288667 981460323 /nfs/dbraw/zinc/46/03/23/981460323.db2.gz ULZDEUPCZBNZHQ-BBRMVZONSA-N -1 0 333.428 3.583 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2coc(C3CCC3)n2)cc1 ZINC000909288293 981460461 /nfs/dbraw/zinc/46/04/61/981460461.db2.gz NUDYUJCLYICNQA-UHFFFAOYSA-N -1 0 328.368 3.557 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2scnc2C2CCCC2)c1 ZINC000909321864 981468022 /nfs/dbraw/zinc/46/80/22/981468022.db2.gz VNWXLZVOOPGMGW-UHFFFAOYSA-N -1 0 334.372 3.890 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N[C@H](C)c1ccccc1OC(C)C ZINC000909403465 981485337 /nfs/dbraw/zinc/48/53/37/981485337.db2.gz QYGJDRRZUWUWST-GFCCVEGCSA-N -1 0 331.368 3.564 20 0 EHADRM CCC[C@@H](C)[C@H]1CCCN1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001595573381 981487940 /nfs/dbraw/zinc/48/79/40/981487940.db2.gz RHCPFAYNWJOLKC-RHSMWYFYSA-N -1 0 332.444 3.538 20 0 EHADRM CCC[C@@H](C)NC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001595580458 981517927 /nfs/dbraw/zinc/51/79/27/981517927.db2.gz HMLZTWZZMIXZPG-CYBMUJFWSA-N -1 0 333.432 3.685 20 0 EHADRM C[C@H](CC(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-])c1c[nH]c2ccccc21 ZINC000909530483 981534076 /nfs/dbraw/zinc/53/40/76/981534076.db2.gz IEARKQUEHZAPAQ-JOTOCRJQSA-N -1 0 342.439 3.811 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccncc2)cc1 ZINC000909546655 981537904 /nfs/dbraw/zinc/53/79/04/981537904.db2.gz PHDMFMRKHBAAFI-DLBZAZTESA-N -1 0 340.379 3.703 20 0 EHADRM CC(C)[C@H](NC(=O)CCSCC(=O)[O-])c1ccc(Cl)cc1F ZINC000909556894 981541513 /nfs/dbraw/zinc/54/15/13/981541513.db2.gz NIZYQDXRPVZYHH-HNNXBMFYSA-N -1 0 347.839 3.500 20 0 EHADRM CC[C@@H](C)Oc1cc(C[NH2+][C@H](C(=O)[O-])c2ccccc2)ccc1OC ZINC000683174694 1014743314 /nfs/dbraw/zinc/74/33/14/1014743314.db2.gz QCPCSNOJSPHEJU-KUHUBIRLSA-N -1 0 343.423 3.788 20 0 EHADRM CCC[C@H](NC(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC001595599497 981572562 /nfs/dbraw/zinc/57/25/62/981572562.db2.gz BVCOAWQJMIPKHH-KRWDZBQOSA-N -1 0 342.395 3.813 20 0 EHADRM Cc1ccc(C)c(CN(C)C(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC000909729695 981583297 /nfs/dbraw/zinc/58/32/97/981583297.db2.gz VBSSHXWRHWIYCJ-UHFFFAOYSA-N -1 0 329.440 3.687 20 0 EHADRM CCCC(O)(CCC)CC(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001595604408 981588941 /nfs/dbraw/zinc/58/89/41/981588941.db2.gz HMTZDWCNLIRSGY-UHFFFAOYSA-N -1 0 327.446 3.723 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cscc1C(F)F ZINC000909751913 981589704 /nfs/dbraw/zinc/58/97/04/981589704.db2.gz WCAUKUPKSSIGRL-SNVBAGLBSA-N -1 0 339.363 3.801 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N(Cc1ccccc1)[C@H](C)Cc1ccccc1 ZINC001594741426 981611265 /nfs/dbraw/zinc/61/12/65/981611265.db2.gz PDFFZMQHWWHFSM-APWZRJJASA-N -1 0 339.435 3.757 20 0 EHADRM Cc1ccc(C(=O)N[C@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])c(Cl)c1 ZINC000909819643 981641405 /nfs/dbraw/zinc/64/14/05/981641405.db2.gz KXRRFMJCLKSPPT-CZUORRHYSA-N -1 0 345.826 3.710 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N[C@@H](c1cccc2ccccc21)C(F)(F)F ZINC001594748685 981645458 /nfs/dbraw/zinc/64/54/58/981645458.db2.gz RFJBCVDAYKPWPP-RISCZKNCSA-N -1 0 339.313 3.670 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N[C@H](C)c1ccccc1OCc1ccccc1 ZINC001594757872 981681970 /nfs/dbraw/zinc/68/19/70/981681970.db2.gz SDROUJDWJHEJHV-GDBMZVCRSA-N -1 0 341.407 3.554 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@@H](C3CCC3)C3CCCC3)(CC1)CC2 ZINC000909870328 981692787 /nfs/dbraw/zinc/69/27/87/981692787.db2.gz CUMYXPWRJVKPOK-PBPGXSGUSA-N -1 0 333.472 3.887 20 0 EHADRM CCCC1CCC(NC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)CC1 ZINC001595620996 981694988 /nfs/dbraw/zinc/69/49/88/981694988.db2.gz ZOGWJIFQJFIWFD-UHFFFAOYSA-N -1 0 347.455 3.856 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC001594762046 981696601 /nfs/dbraw/zinc/69/66/01/981696601.db2.gz ODSIPOPLYOUPFV-ZETCQYMHSA-N -1 0 337.775 3.747 20 0 EHADRM CCC[C@@H]1CCCC[C@@H]1CNC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001595621128 981696611 /nfs/dbraw/zinc/69/66/11/981696611.db2.gz CIFHTYHJMHSWKE-SJLPKXTDSA-N -1 0 346.471 3.833 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@@H](C)c1ccc(F)cc1F)c1ccccc1 ZINC001594764523 981708702 /nfs/dbraw/zinc/70/87/02/981708702.db2.gz OQFAEGBJZRXXRF-YVEFUNNKSA-N -1 0 347.361 3.965 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3occc3s2)[C@H]2CCCC[C@@H]12 ZINC000909961641 981715220 /nfs/dbraw/zinc/71/52/20/981715220.db2.gz UXJIBKLAODYDAO-TUAOUCFPSA-N -1 0 333.409 3.600 20 0 EHADRM CCC/C=C\C(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001595624128 981728948 /nfs/dbraw/zinc/72/89/48/981728948.db2.gz MPQKZONXPVZKAM-IYKSTZQJSA-N -1 0 330.211 3.766 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N[C@H](CC1CCCC1)c1ccccc1 ZINC000910019034 981735668 /nfs/dbraw/zinc/73/56/68/981735668.db2.gz XAZQVDPULOTBPV-QGZVFWFLSA-N -1 0 341.407 3.958 20 0 EHADRM CC[C@@H](C(=O)OC1CCC(CC(=O)[O-])CC1)c1ccc(OC)cc1 ZINC001594774852 981754910 /nfs/dbraw/zinc/75/49/10/981754910.db2.gz IKHSTWWQJZLZBA-QWFMPGPPSA-N -1 0 334.412 3.766 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)CC/C=C\c1ccccc1 ZINC001594780704 981784993 /nfs/dbraw/zinc/78/49/93/981784993.db2.gz HMVGVCANXJMWOL-QRGKHIHXSA-N -1 0 329.440 3.972 20 0 EHADRM C/C(=C\c1ccccc1)CN(C)C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000910240849 981807568 /nfs/dbraw/zinc/80/75/68/981807568.db2.gz CSYJFLGCIXWSBQ-JQIJEIRASA-N -1 0 341.451 3.974 20 0 EHADRM CC(C)COc1cccc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)c1 ZINC000910245016 981815364 /nfs/dbraw/zinc/81/53/64/981815364.db2.gz HQGBHDHSYDPMBA-UHFFFAOYSA-N -1 0 331.412 3.695 20 0 EHADRM CSc1ccccc1CN(C)C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000910251422 981825160 /nfs/dbraw/zinc/82/51/60/981825160.db2.gz SHQSRRCVLPEQPD-UHFFFAOYSA-N -1 0 347.480 3.792 20 0 EHADRM O=C([O-])Cc1occc1C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000910255042 981831414 /nfs/dbraw/zinc/83/14/14/981831414.db2.gz WUQLACXGFDNARG-UHFFFAOYSA-N -1 0 341.285 3.654 20 0 EHADRM Cc1ccc(-c2ccc(C)c(NC(=O)CCSCC(=O)[O-])c2)o1 ZINC000910256585 981834279 /nfs/dbraw/zinc/83/42/79/981834279.db2.gz XQBUWNLBZGJCOX-UHFFFAOYSA-N -1 0 333.409 3.710 20 0 EHADRM Cc1nc(N[C@H]2CCCc3cn(C4CCCC4)nc32)ccc1C(=O)[O-] ZINC000910305527 981863649 /nfs/dbraw/zinc/86/36/49/981863649.db2.gz KYPBLTFQALSZQI-INIZCTEOSA-N -1 0 340.427 3.889 20 0 EHADRM CCC(C)(C)[C@@H](C)NC(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC001594794398 981871040 /nfs/dbraw/zinc/87/10/40/981871040.db2.gz KUIXVDKMEGYNAC-GHMZBOCLSA-N -1 0 340.395 3.624 20 0 EHADRM CCc1cc2c(nc(C)nc2N[C@H](C)c2ncc(C(=O)[O-])s2)s1 ZINC000910320216 981873863 /nfs/dbraw/zinc/87/38/63/981873863.db2.gz KBNSBHQNVZMVFF-SSDOTTSWSA-N -1 0 348.453 3.890 20 0 EHADRM CCC(C)(C)C1CCC2(C[C@H]2C(=O)N[C@H](CC2CC2)C(=O)[O-])CC1 ZINC001594797099 981884973 /nfs/dbraw/zinc/88/49/73/981884973.db2.gz UOAGZGHORHKDOM-QNBXZPKWSA-N -1 0 335.488 3.989 20 0 EHADRM CC1(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)CCC(=O)CC1 ZINC000910359426 981888982 /nfs/dbraw/zinc/88/89/82/981888982.db2.gz AJOPKRLSYFQEMD-UHFFFAOYSA-N -1 0 325.364 3.626 20 0 EHADRM CCCC[C@H](NC(=O)CCOc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC001595635540 981905194 /nfs/dbraw/zinc/90/51/94/981905194.db2.gz ZTYOFQFMYNYRHR-ZDUSSCGKSA-N -1 0 348.226 3.522 20 0 EHADRM CCCC[C@H](NC(=O)c1ccc(C)c(Oc2ccncc2)c1)C(=O)[O-] ZINC001595636728 981921809 /nfs/dbraw/zinc/92/18/09/981921809.db2.gz NDOKISUIBTVGMY-INIZCTEOSA-N -1 0 342.395 3.556 20 0 EHADRM CCC(C)(C)[C@@H]1CCc2nc(NC(=O)[C@H](C)CC(=O)[O-])sc2C1 ZINC001594808880 981922455 /nfs/dbraw/zinc/92/24/55/981922455.db2.gz RCZCCXDEVLMMDD-GHMZBOCLSA-N -1 0 338.473 3.734 20 0 EHADRM C[C@H](C(=O)N[C@H](CC(=O)[O-])C1CCCC1)c1ccc(Cl)s1 ZINC000910566384 981992835 /nfs/dbraw/zinc/99/28/35/981992835.db2.gz YXGYHHAXEXJBBE-GXSJLCMTSA-N -1 0 329.849 3.655 20 0 EHADRM CCCC[C@H](OC(=O)c1cc(CC)nc2onc(C(C)C)c21)C(=O)[O-] ZINC001595649441 982007305 /nfs/dbraw/zinc/00/73/05/982007305.db2.gz CEICSWIWCJINJF-ZDUSSCGKSA-N -1 0 348.399 3.709 20 0 EHADRM CCCC[C@H](S[C@H](C)C(=O)Nc1ccc(F)c(F)c1)C(=O)[O-] ZINC001595650945 982014185 /nfs/dbraw/zinc/01/41/85/982014185.db2.gz ABEQXVVEHRMKQR-RNCFNFMXSA-N -1 0 331.384 3.668 20 0 EHADRM CCCC[C@H](S[C@H](CC)C(=O)Nc1ccc(OC)cc1)C(=O)[O-] ZINC001595651708 982025069 /nfs/dbraw/zinc/02/50/69/982025069.db2.gz JSHQHXJYZAQZGT-CABCVRRESA-N -1 0 339.457 3.789 20 0 EHADRM CCCC[C@H](S[C@H](C(=O)N1CCCC[C@H]1C)C(C)C)C(=O)[O-] ZINC001595652764 982037089 /nfs/dbraw/zinc/03/70/89/982037089.db2.gz XLOFGDLEZPWYMN-ILXRZTDVSA-N -1 0 329.506 3.789 20 0 EHADRM CCCC[C@@H](SCC(=O)N1c2ccccc2CC[C@@H]1C)C(=O)[O-] ZINC001595654871 982041770 /nfs/dbraw/zinc/04/17/70/982041770.db2.gz FUJMRTCSYYRGHV-XJKSGUPXSA-N -1 0 335.469 3.731 20 0 EHADRM CCCc1c(NC(=O)C[C@H](C)CC(=O)[O-])cnn1-c1ccc(C)cc1 ZINC000910656564 982044432 /nfs/dbraw/zinc/04/44/32/982044432.db2.gz OBTADPYUADVYNN-AWEZNQCLSA-N -1 0 343.427 3.573 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)c2cc(C(=O)[O-])ccc2Cl)c1C ZINC000910658431 982045316 /nfs/dbraw/zinc/04/53/16/982045316.db2.gz KIKKZSJSNCGGPF-VIFPVBQESA-N -1 0 335.791 3.766 20 0 EHADRM CCCC[C@@H](SC[C@H]1CN(C2CCCCC2)C(=O)O1)C(=O)[O-] ZINC001595656403 982053085 /nfs/dbraw/zinc/05/30/85/982053085.db2.gz YAZGTUDUAAKZPP-ZIAGYGMSSA-N -1 0 329.462 3.517 20 0 EHADRM CCCCC1CCC(C(=O)N[C@H](C(=O)[O-])c2ccc(O)cc2)CC1 ZINC001595660475 982070322 /nfs/dbraw/zinc/07/03/22/982070322.db2.gz GGLFGABWJRFZHE-PGEKIEPBSA-N -1 0 333.428 3.631 20 0 EHADRM CCCCC1CCC(CNC(=O)Nc2cccc(CC(=O)[O-])n2)CC1 ZINC001595660328 982070394 /nfs/dbraw/zinc/07/03/94/982070394.db2.gz DIBLNQUSEKSPAR-UHFFFAOYSA-N -1 0 347.459 3.827 20 0 EHADRM CCCCC[C@H](C(=O)N1CCc2ccc(C(=O)[O-])nc2C1)C(C)C ZINC001595662430 982079293 /nfs/dbraw/zinc/07/92/93/982079293.db2.gz DVJQCCULBOYUCS-HNNXBMFYSA-N -1 0 332.444 3.517 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)C[C@@H]2C=CCCC2)nc1C(=O)[O-] ZINC000910724327 982088663 /nfs/dbraw/zinc/08/86/63/982088663.db2.gz RDKVBPZOEAELFY-OLZOCXBDSA-N -1 0 334.441 3.560 20 0 EHADRM CCc1oc(C(=O)N2CCC[C@@H]2c2nc(C(=O)[O-])c(C)s2)cc1C ZINC000910726797 982091380 /nfs/dbraw/zinc/09/13/80/982091380.db2.gz KDUXGFBDBUKTIL-LLVKDONJSA-N -1 0 348.424 3.591 20 0 EHADRM O=C([O-])c1nc(NC(=O)[C@@H]2CCCc3ccccc32)sc1C1CC1 ZINC000910733826 982096769 /nfs/dbraw/zinc/09/67/69/982096769.db2.gz CSQLFYYNNBZULK-CYBMUJFWSA-N -1 0 342.420 3.777 20 0 EHADRM CSc1ccccc1CC(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910740311 982100229 /nfs/dbraw/zinc/10/02/29/982100229.db2.gz ISLVGCXWGCFYCQ-UHFFFAOYSA-N -1 0 348.449 3.622 20 0 EHADRM CCCCC[C@H](NC(=O)C(F)(F)c1cccc(Cl)c1)C(=O)[O-] ZINC001595670306 982117140 /nfs/dbraw/zinc/11/71/40/982117140.db2.gz OLYHOKGXHXJNBH-LBPRGKRZSA-N -1 0 333.762 3.582 20 0 EHADRM CCCCC[C@@H](NC(=O)CCc1ccccc1C(F)(F)F)C(=O)[O-] ZINC001595672578 982135426 /nfs/dbraw/zinc/13/54/26/982135426.db2.gz RCKYXXBLKJOXLE-CQSZACIVSA-N -1 0 345.361 3.788 20 0 EHADRM CCCCC[C@@H](NC(=O)/C=C\Sc1cc(F)ccc1F)C(=O)[O-] ZINC001595672632 982136405 /nfs/dbraw/zinc/13/64/05/982136405.db2.gz SIEVSBWACBZWHM-LJTDUEICSA-N -1 0 343.395 3.720 20 0 EHADRM C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)C[C@H]1CC(=O)[O-] ZINC000910862688 982152632 /nfs/dbraw/zinc/15/26/32/982152632.db2.gz HFFWJAMPSSDHSC-BYNBJNPRSA-N -1 0 337.419 3.513 20 0 EHADRM CCCCC[C@H]1CCCN1C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001595690718 982200289 /nfs/dbraw/zinc/20/02/89/982200289.db2.gz ULFNKEVEPXHNJE-HNNXBMFYSA-N -1 0 342.439 3.911 20 0 EHADRM CCCCCCC(=O)N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001595691039 982204222 /nfs/dbraw/zinc/20/42/22/982204222.db2.gz YGBQTPYRPVJDLP-AWEZNQCLSA-N -1 0 331.334 3.918 20 0 EHADRM CCCCCCC(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC001595695001 982216051 /nfs/dbraw/zinc/21/60/51/982216051.db2.gz MXSGKGCASKXKLU-UHFFFAOYSA-N -1 0 329.400 3.788 20 0 EHADRM CC[C@@H](C)[C@H](C)C(=O)Oc1ccc(Br)cc1C(=O)[O-] ZINC001594882440 982248675 /nfs/dbraw/zinc/24/86/75/982248675.db2.gz XDVFOUSXUBMVDL-BDAKNGLRSA-N -1 0 329.190 3.735 20 0 EHADRM CC[C@@H](C)[C@@H](C)C(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001594882530 982248874 /nfs/dbraw/zinc/24/88/74/982248874.db2.gz YARASEQEONAWMM-VXGBXAGGSA-N -1 0 346.452 3.807 20 0 EHADRM CCCCCC[C@H](O)CCC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001595703921 982272275 /nfs/dbraw/zinc/27/22/75/982272275.db2.gz YZSBGCQGRTUAKE-AWEZNQCLSA-N -1 0 346.427 3.916 20 0 EHADRM CCCCCCO[C@H](C)C(=O)N1CCCc2c(C)ccc(C(=O)[O-])c21 ZINC001595711212 982298516 /nfs/dbraw/zinc/29/85/16/982298516.db2.gz RTPAHLXKPHNTJB-OAHLLOKOSA-N -1 0 347.455 3.958 20 0 EHADRM O=C([O-])c1ccc(CC(=O)Nc2cccc(N3CCCCC3)c2)cc1 ZINC000911251347 982313874 /nfs/dbraw/zinc/31/38/74/982313874.db2.gz WWKXPFNQCLOVPD-UHFFFAOYSA-N -1 0 338.407 3.556 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2cc(Cl)ccc2OC(F)F)C1 ZINC000911371840 982389461 /nfs/dbraw/zinc/38/94/61/982389461.db2.gz QCRKVOMVJZTQGU-BDAKNGLRSA-N -1 0 347.745 3.771 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)Nc1ccc(C)c(C(=O)[O-])c1)C(F)(F)F ZINC001594908717 982401586 /nfs/dbraw/zinc/40/15/86/982401586.db2.gz JIQVQFPHXOYPFO-PRHODGIISA-N -1 0 332.322 3.792 20 0 EHADRM O=C([O-])c1cc(NC(=O)C[C@@H]2CCC3(CCC3)CO2)cc2[nH]ccc21 ZINC000911386813 982411310 /nfs/dbraw/zinc/41/13/10/982411310.db2.gz KEYULGGYDRPJNF-ZDUSSCGKSA-N -1 0 342.395 3.544 20 0 EHADRM CCCCN(Cc1c(C)oc(C)c1C)C(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001595749264 982422753 /nfs/dbraw/zinc/42/27/53/982422753.db2.gz UXNLOLBLCDRMQC-UHFFFAOYSA-N -1 0 332.400 3.674 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC001594913081 982427931 /nfs/dbraw/zinc/42/79/31/982427931.db2.gz XLOGAHBXBCXKCE-CPCISQLKSA-N -1 0 337.725 3.588 20 0 EHADRM CCCCNc1ccccc1C(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC001595763156 982469398 /nfs/dbraw/zinc/46/93/98/982469398.db2.gz AQOYZVJWHCMFCR-KRWDZBQOSA-N -1 0 346.471 3.910 20 0 EHADRM CCCCNc1ccccc1C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001595763488 982472805 /nfs/dbraw/zinc/47/28/05/982472805.db2.gz MOPLHRGAFVTLAQ-UHFFFAOYSA-N -1 0 344.411 3.770 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)cc1 ZINC000911532647 982478274 /nfs/dbraw/zinc/47/82/74/982478274.db2.gz XUGMFJUKUGWIIA-KRWDZBQOSA-N -1 0 349.390 3.629 20 0 EHADRM Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)c1cc(C(=O)[O-])co1 ZINC000911541925 982485148 /nfs/dbraw/zinc/48/51/48/982485148.db2.gz QRCOZGBSKRXXEB-LBPRGKRZSA-N -1 0 341.285 3.710 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H]2c2ccc(F)cc2F)C1 ZINC000911547449 982490543 /nfs/dbraw/zinc/49/05/43/982490543.db2.gz XLKRLBCHFTVBTO-HSMVNMDESA-N -1 0 337.366 3.519 20 0 EHADRM C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000911592997 982525642 /nfs/dbraw/zinc/52/56/42/982525642.db2.gz ZGUYGMGENSOTDX-AAEUAGOBSA-N -1 0 343.345 3.507 20 0 EHADRM CC[C@H](C)[C@@H](Sc1nnc(NCc2cccs2)s1)C(=O)[O-] ZINC001594930374 982551544 /nfs/dbraw/zinc/55/15/44/982551544.db2.gz WFPJJJKGCGFKBA-WCBMZHEXSA-N -1 0 343.499 3.803 20 0 EHADRM CCCCOc1ccc(NCc2ccccc2O[C@H](C)C(=O)[O-])cn1 ZINC001595781190 982559995 /nfs/dbraw/zinc/55/99/95/982559995.db2.gz ZSYKHTUUBWLYCX-CQSZACIVSA-N -1 0 344.411 3.725 20 0 EHADRM CC[C@@H](C)CC(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC001594935688 982588574 /nfs/dbraw/zinc/58/85/74/982588574.db2.gz ZVRBQWYNLXEDBA-MRVPVSSYSA-N -1 0 328.206 3.830 20 0 EHADRM CC(C)[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccncc1)c1ccccc1 ZINC000911659199 982589140 /nfs/dbraw/zinc/58/91/40/982589140.db2.gz XSCADZYHNWALJV-ROUUACIJSA-N -1 0 340.423 3.544 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000911664176 982593339 /nfs/dbraw/zinc/59/33/39/982593339.db2.gz KPFRLUNPQKKDQN-JZXOWHBKSA-N -1 0 345.414 3.769 20 0 EHADRM C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000911680455 982601462 /nfs/dbraw/zinc/60/14/62/982601462.db2.gz WXWDWHFVPVDGCZ-FZMZJTMJSA-N -1 0 343.345 3.507 20 0 EHADRM CCO[C@H](C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C)C1CCCC1 ZINC000911732362 982616622 /nfs/dbraw/zinc/61/66/22/982616622.db2.gz BHBBHRNWVMJXJB-INIZCTEOSA-N -1 0 349.427 3.706 20 0 EHADRM CCCCn1c(C)c(C)nc1SCC(=O)C(CC)(CC)C(=O)[O-] ZINC001595802204 982617726 /nfs/dbraw/zinc/61/77/26/982617726.db2.gz FKOAEDOTHAIIRM-UHFFFAOYSA-N -1 0 340.489 3.852 20 0 EHADRM COc1cc(C)ccc1C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC000911737727 982619881 /nfs/dbraw/zinc/61/98/81/982619881.db2.gz IBEINHUJPXIOHX-UHFFFAOYSA-N -1 0 343.379 3.741 20 0 EHADRM CCCCc1noc(CNc2cc(Cl)c(F)c(C(=O)[O-])c2)n1 ZINC001595803621 982625566 /nfs/dbraw/zinc/62/55/66/982625566.db2.gz YICUYMINMNOLNQ-UHFFFAOYSA-N -1 0 327.743 3.515 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)c1cc(Cl)ccc1OC(C)C)C(=O)[O-] ZINC001594945009 982630694 /nfs/dbraw/zinc/63/06/94/982630694.db2.gz MTJGDTBICAULET-BXUZGUMPSA-N -1 0 341.835 3.746 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)c1ccc(C)c(C(F)(F)F)c1)C(=O)[O-] ZINC001594945265 982632170 /nfs/dbraw/zinc/63/21/70/982632170.db2.gz AQBLTDLSIPHDTK-TVQRCGJNSA-N -1 0 331.334 3.633 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)c1ccc(-c2ccncc2)c(F)c1)C(=O)[O-] ZINC001594946207 982640305 /nfs/dbraw/zinc/64/03/05/982640305.db2.gz LZRPDTHISMWAPT-PXAZEXFGSA-N -1 0 344.386 3.507 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@@]2(C)Cc2cccc(F)c2)oc1C(=O)[O-] ZINC000911774166 982642814 /nfs/dbraw/zinc/64/28/14/982642814.db2.gz SUKCKYQPUCTBKJ-IBGZPJMESA-N -1 0 345.370 3.663 20 0 EHADRM O=C([O-])c1cc(NC(=O)Cc2csc3ccccc23)ccc1F ZINC000916047003 982670912 /nfs/dbraw/zinc/67/09/12/982670912.db2.gz GPDWMYHWXRRAQG-UHFFFAOYSA-N -1 0 329.352 3.920 20 0 EHADRM CCCN(C(=O)CCc1c(Cl)cccc1Cl)[C@H](C)C(=O)[O-] ZINC001595817542 982681312 /nfs/dbraw/zinc/68/13/12/982681312.db2.gz WLHPERNCLAZBOS-SNVBAGLBSA-N -1 0 332.227 3.638 20 0 EHADRM CC[C@H](C)CCC(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC001594953862 982682616 /nfs/dbraw/zinc/68/26/16/982682616.db2.gz XFHAMRZZFHVRFZ-LBPRGKRZSA-N -1 0 327.371 3.594 20 0 EHADRM CCCN(C(=O)Cc1ccc(C(=O)[O-])nc1)[C@H](CC)c1ccccc1 ZINC001595821771 982690421 /nfs/dbraw/zinc/69/04/21/982690421.db2.gz MFHZKLVNENIXML-GOSISDBHSA-N -1 0 340.423 3.712 20 0 EHADRM CCCN(C(=O)[C@H]1CCCC[C@H]1C(=O)[O-])[C@@H](C)c1ccccc1OC ZINC001595823017 982696351 /nfs/dbraw/zinc/69/63/51/982696351.db2.gz PKSOQRXNRXWWQO-BHYGNILZSA-N -1 0 347.455 3.886 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@@]2(c3ccccc3)CCCO2)cc1 ZINC000923081513 982712635 /nfs/dbraw/zinc/71/26/35/982712635.db2.gz VEQGYOGBOBOQRV-XOBRGWDASA-N -1 0 339.391 3.519 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)Nc1cc(C(=O)[O-])sc1C ZINC000923088843 982715479 /nfs/dbraw/zinc/71/54/79/982715479.db2.gz BSTODDRHCPFSQF-JTQLQIEISA-N -1 0 333.409 3.896 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)c1ccc(COC(C)C)cc1 ZINC000923089918 982716602 /nfs/dbraw/zinc/71/66/02/982716602.db2.gz CCOOCOYIWPZJDI-UHFFFAOYSA-N -1 0 333.409 3.932 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)[C@H](C)OC1CCCCCC1 ZINC000923095703 982720192 /nfs/dbraw/zinc/72/01/92/982720192.db2.gz YOUFGNHTEMLUSI-JTQLQIEISA-N -1 0 325.430 3.821 20 0 EHADRM CC[C@@H](C)CONC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001594965534 982721818 /nfs/dbraw/zinc/72/18/18/982721818.db2.gz WKGLNYUBMHNQCI-CYBMUJFWSA-N -1 0 327.380 3.759 20 0 EHADRM O=C([O-])c1cc(Oc2ccc(NC(=O)[C@]34C[C@H]3CCC4)cc2)ccn1 ZINC000923102304 982725234 /nfs/dbraw/zinc/72/52/34/982725234.db2.gz NITCZZWKVHTOFO-CWTRNNRKSA-N -1 0 338.363 3.701 20 0 EHADRM CC(C)[C@H]1C[C@H](C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CCO1 ZINC000923105321 982728056 /nfs/dbraw/zinc/72/80/56/982728056.db2.gz RFVZSNPEHBJMMD-FZKQIMNGSA-N -1 0 341.407 3.928 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)CCSc1cccc(Cl)c1 ZINC001594971951 982742171 /nfs/dbraw/zinc/74/21/71/982742171.db2.gz OTTZLNDJISNIEL-NSHDSACASA-N -1 0 329.849 3.534 20 0 EHADRM CCCN(C)c1ccccc1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001595839494 982753539 /nfs/dbraw/zinc/75/35/39/982753539.db2.gz GSFVKHRHLFBONN-UHFFFAOYSA-N -1 0 330.359 3.622 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC000923153665 982767935 /nfs/dbraw/zinc/76/79/35/982767935.db2.gz UTQORTOIANBQDV-MWLCHTKSSA-N -1 0 335.400 3.674 20 0 EHADRM CC[C@@H](C)N1C(=O)N[C@@H](c2ccc(Cl)c(F)c2)C(C(=O)[O-])=C1C ZINC001594985135 982796325 /nfs/dbraw/zinc/79/63/25/982796325.db2.gz HFYBKIJTINRTPX-CLAHSXSESA-N -1 0 340.782 3.703 20 0 EHADRM CC[C@@H](C)N1C(=O)N[C@@H](c2ccsc2Cl)C(C(=O)[O-])=C1C ZINC001594985627 982805888 /nfs/dbraw/zinc/80/58/88/982805888.db2.gz WKBWVODKSRVPKU-HQJQHLMTSA-N -1 0 328.821 3.625 20 0 EHADRM CCCN(CCC)c1ccc(NC(=O)c2ccoc2CC(=O)[O-])cc1 ZINC001595879969 982884195 /nfs/dbraw/zinc/88/41/95/982884195.db2.gz SYQTXWIUNWXSCX-UHFFFAOYSA-N -1 0 344.411 3.785 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001594999395 982906365 /nfs/dbraw/zinc/90/63/65/982906365.db2.gz FPCXTNUBSBUFLC-KDOFPFPSSA-N -1 0 347.455 3.875 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(OC)cc2C(=O)[O-])cc1 ZINC001594999676 982909693 /nfs/dbraw/zinc/90/96/93/982909693.db2.gz NTAZNVWETOZYCA-LBPRGKRZSA-N -1 0 343.379 3.823 20 0 EHADRM CCCN(Cc1cc(C(=O)[O-])co1)[C@@H](C)C(=O)Nc1ccccc1C ZINC001595885807 982909822 /nfs/dbraw/zinc/90/98/22/982909822.db2.gz HLXSGUDVAMJNRZ-AWEZNQCLSA-N -1 0 344.411 3.525 20 0 EHADRM CCCN(Cc1c(F)cccc1Cl)C(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001595886136 982915455 /nfs/dbraw/zinc/91/54/55/982915455.db2.gz ZMTGYOOLBLPMJY-UHFFFAOYSA-N -1 0 338.766 3.558 20 0 EHADRM CC[C@@H](C)c1ccc(OS(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1 ZINC001595009143 982932502 /nfs/dbraw/zinc/93/25/02/982932502.db2.gz FSSMNTVRIMTDJB-GFCCVEGCSA-N -1 0 348.420 3.974 20 0 EHADRM CCCOc1cc(OC)ccc1C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC001595951940 983124712 /nfs/dbraw/zinc/12/47/12/983124712.db2.gz HXLMKOMDBPVNRE-UHFFFAOYSA-N -1 0 343.379 3.743 20 0 EHADRM CCCOc1ccc(NCc2snc(OC)c2C(=O)[O-])cc1C ZINC001595966079 983170605 /nfs/dbraw/zinc/17/06/05/983170605.db2.gz AZFTZSLKMAVBRB-UHFFFAOYSA-N -1 0 336.413 3.559 20 0 EHADRM CCCOc1cccc(CC(=O)Nc2cc(F)cc(C(=O)[O-])c2F)c1 ZINC001595968823 983186462 /nfs/dbraw/zinc/18/64/62/983186462.db2.gz LADOIPNVPRDHBB-UHFFFAOYSA-N -1 0 349.333 3.633 20 0 EHADRM CCCc1c(C(=O)Nc2cccc(SC)c2)[nH]c(C)c1C(=O)[O-] ZINC001596045302 983332494 /nfs/dbraw/zinc/33/24/94/983332494.db2.gz JFKMDPKFEODQLE-UHFFFAOYSA-N -1 0 332.425 3.948 20 0 EHADRM CCCc1c(C(=O)Nc2ccc3ncsc3c2)[nH]c(C)c1C(=O)[O-] ZINC001596045394 983332862 /nfs/dbraw/zinc/33/28/62/983332862.db2.gz NAYFRQVWBZPGMM-UHFFFAOYSA-N -1 0 343.408 3.836 20 0 EHADRM CCCn1ccc2cc(NC(=O)Cc3ccc(C(=O)[O-])cc3)ccc21 ZINC001596115563 983445028 /nfs/dbraw/zinc/44/50/28/983445028.db2.gz BESPYDNKOCPPQP-UHFFFAOYSA-N -1 0 336.391 3.931 20 0 EHADRM CCN(C(=O)CCc1ccc(-c2ccccc2)o1)C(C)(C)C(=O)[O-] ZINC001596138047 983488377 /nfs/dbraw/zinc/48/83/77/983488377.db2.gz YZAGVNUKEIAHIY-UHFFFAOYSA-N -1 0 329.396 3.591 20 0 EHADRM CCN(C(=O)Cc1ccc(Cl)c(F)c1)c1ccccc1C(=O)[O-] ZINC001596143020 983495853 /nfs/dbraw/zinc/49/58/53/983495853.db2.gz GIKPJSFSXYPVDZ-UHFFFAOYSA-N -1 0 335.762 3.773 20 0 EHADRM CCN(C(=O)Nc1ccc(C(=O)[O-])cc1C)[C@@H]1CCOC(C)(C)C1 ZINC001596151506 983512610 /nfs/dbraw/zinc/51/26/10/983512610.db2.gz YPFKBFJAXPQFEU-CQSZACIVSA-N -1 0 334.416 3.505 20 0 EHADRM CCN(C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)c1ncc(C(=O)[O-])s1 ZINC001596156269 983515305 /nfs/dbraw/zinc/51/53/05/983515305.db2.gz UXEBBFAWGPAXCS-ZIAGYGMSSA-N -1 0 344.436 3.778 20 0 EHADRM CCN(C(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccc(OC)cc1 ZINC001596158871 983522320 /nfs/dbraw/zinc/52/23/20/983522320.db2.gz UVVYNJDUMSZUDH-UHFFFAOYSA-N -1 0 332.331 3.591 20 0 EHADRM CCN(C(=O)c1cc(C)c(Cl)cc1C)c1ncc(C(=O)[O-])s1 ZINC001596164878 983528383 /nfs/dbraw/zinc/52/83/83/983528383.db2.gz WFWCGLPDESIQLB-UHFFFAOYSA-N -1 0 338.816 3.778 20 0 EHADRM CCOc1cccc(C(=O)/C=C/c2ccc(OCCC(=O)[O-])cc2)c1 ZINC000065691583 1014976922 /nfs/dbraw/zinc/97/69/22/1014976922.db2.gz LLOAGUPXNGRBBL-DHZHZOJOSA-N -1 0 340.375 3.835 20 0 EHADRM CCN(Cc1occc1C)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC001596380704 983904418 /nfs/dbraw/zinc/90/44/18/983904418.db2.gz VPKZGDJDNGACQG-CYBMUJFWSA-N -1 0 330.384 3.830 20 0 EHADRM COc1ccccc1-c1noc(-c2ccc(Br)cc2[O-])n1 ZINC000109037278 1014986937 /nfs/dbraw/zinc/98/69/37/1014986937.db2.gz IZNUEVYGXKZXMH-UHFFFAOYSA-N -1 0 347.168 3.880 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ccnn2C2CCCCC2)c(C)c1 ZINC000066248330 1015029879 /nfs/dbraw/zinc/02/98/79/1015029879.db2.gz GFBHHDJVYMVKBT-UHFFFAOYSA-N -1 0 349.456 3.506 20 0 EHADRM C/C(=C/C(=O)N(c1ncc(C(=O)[O-])s1)C1CC1)c1cccs1 ZINC001588932441 984608232 /nfs/dbraw/zinc/60/82/32/984608232.db2.gz DJLNBEGHPKUQRR-CLFYSBASSA-N -1 0 334.422 3.502 20 0 EHADRM C/C(=C/C(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-])c1ccccc1Cl ZINC001588938355 984621491 /nfs/dbraw/zinc/62/14/91/984621491.db2.gz CLBALBSEEUOZBJ-NNCAZOOLSA-N -1 0 335.831 3.893 20 0 EHADRM C/C(=C/C(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F)c1ccccc1C ZINC001588939078 984626923 /nfs/dbraw/zinc/62/69/23/984626923.db2.gz LDDDWOIJMHSVSX-DVESRUBUSA-N -1 0 345.345 3.619 20 0 EHADRM C/C(=C/C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)c1ccccc1C ZINC001588939345 984629236 /nfs/dbraw/zinc/62/92/36/984629236.db2.gz ODECXFMFHYQGAT-BRPHKXCKSA-N -1 0 349.430 3.725 20 0 EHADRM C/C(=C/C(=O)Nc1cccc(C(=O)[O-])c1N)c1ccccc1Cl ZINC001588944308 984646634 /nfs/dbraw/zinc/64/66/34/984646634.db2.gz WBOSWCFEVDDKJQ-KTKRTIGZSA-N -1 0 330.771 3.662 20 0 EHADRM C/C(=C\C(=O)Nc1ccc(OCCC(=O)[O-])cc1)c1ccc(F)cc1 ZINC001588944619 984649076 /nfs/dbraw/zinc/64/90/76/984649076.db2.gz ZZBSTYIXWNPISI-OUKQBFOZSA-N -1 0 343.354 3.721 20 0 EHADRM C[C@H](CC(=O)[O-])OC(=O)c1cc(Br)c2ccccc2c1 ZINC001599889846 984681622 /nfs/dbraw/zinc/68/16/22/984681622.db2.gz CUVLFDOJKURIPV-SECBINFHSA-N -1 0 337.169 3.622 20 0 EHADRM C/C(=C\C(C)(C)C)C(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12 ZINC001588955894 984699514 /nfs/dbraw/zinc/69/95/14/984699514.db2.gz BYAWUGZAOAIWOE-ZRDIBKRKSA-N -1 0 342.395 3.629 20 0 EHADRM C/C(=C\C1CCC(C)CC1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001588955995 984701561 /nfs/dbraw/zinc/70/15/61/984701561.db2.gz FQHAOVLXMRRDDL-WSBKBVFOSA-N -1 0 347.430 3.710 20 0 EHADRM C[C@H](NC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21)C1CCCC1 ZINC001599894105 984731276 /nfs/dbraw/zinc/73/12/76/984731276.db2.gz NXROMBYUEZSVOV-SUMWQHHRSA-N -1 0 344.455 3.683 20 0 EHADRM C[C@H](NC(=O)NC1CC(CC(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC001599894130 984731388 /nfs/dbraw/zinc/73/13/88/984731388.db2.gz OJSOGHVFSQKGIS-SILCLGDVSA-N -1 0 345.226 3.607 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])[nH]1)c1ccc(-c2ccccc2)cc1 ZINC001599900611 984816871 /nfs/dbraw/zinc/81/68/71/984816871.db2.gz BPDGBTATGPHNNU-ZDUSSCGKSA-N -1 0 334.375 3.871 20 0 EHADRM C[C@H](Nc1ccc(C(=O)[O-])nn1)c1cc(Cl)ccc1OC(F)F ZINC001599902865 984871859 /nfs/dbraw/zinc/87/18/59/984871859.db2.gz RKOPKCUILNIOND-ZETCQYMHSA-N -1 0 343.717 3.603 20 0 EHADRM C/C(=C/Cl)CS[C@H](C)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001588991245 984914167 /nfs/dbraw/zinc/91/41/67/984914167.db2.gz UFKQEBJHDMVHGK-WQAKUFEDSA-N -1 0 333.862 3.958 20 0 EHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC001588997695 984931877 /nfs/dbraw/zinc/93/18/77/984931877.db2.gz APCOYGLRMFSVJI-OUKQBFOZSA-N -1 0 335.831 3.989 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N1c2cccc(C)c2C[C@H]1C(=O)[O-] ZINC001588998105 984934247 /nfs/dbraw/zinc/93/42/47/984934247.db2.gz HPXGIGYNGYVGSM-HGZMWJMZSA-N -1 0 339.366 3.580 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)N[C@@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC001588998416 984934951 /nfs/dbraw/zinc/93/49/51/984934951.db2.gz KPADXEIWJQOASN-RXEWJAMOSA-N -1 0 341.382 3.788 20 0 EHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001588999084 984936502 /nfs/dbraw/zinc/93/65/02/984936502.db2.gz RHGODGMGGPZQNR-JLHYYAGUSA-N -1 0 343.810 3.687 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC001588999033 984936655 /nfs/dbraw/zinc/93/66/55/984936655.db2.gz QVCODFJXDJDQRY-KQPPXVQYSA-N -1 0 345.345 3.619 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)c2ccc(F)c(C(F)(F)F)c2)(C(=O)[O-])CC1 ZINC001599907352 984940305 /nfs/dbraw/zinc/94/03/05/984940305.db2.gz CSCWKTVOKKYWNK-AZKDTHOKSA-N -1 0 347.308 3.608 20 0 EHADRM C/C(=C/c1cccc(Cl)c1)C(=O)NCCc1ccccc1C(=O)[O-] ZINC001589001826 984945429 /nfs/dbraw/zinc/94/54/29/984945429.db2.gz LQYKNTMUZBXUGB-QBFSEMIESA-N -1 0 343.810 3.800 20 0 EHADRM C/C(=C/c1ccccc1Cl)C(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC001589003916 984958717 /nfs/dbraw/zinc/95/87/17/984958717.db2.gz QIRQKVGOROUSOY-NTMALXAHSA-N -1 0 331.755 3.786 20 0 EHADRM C/C(=C\c1ccccc1Cl)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001589004125 984961929 /nfs/dbraw/zinc/96/19/29/984961929.db2.gz YERXCTOCFYCCBW-JLHYYAGUSA-N -1 0 335.831 3.895 20 0 EHADRM C/C(=C\c1ccccn1)C(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-] ZINC001589006857 984971791 /nfs/dbraw/zinc/97/17/91/984971791.db2.gz XATXJZDXOGOQFJ-RMKNXTFCSA-N -1 0 334.734 3.614 20 0 EHADRM CCOC(=O)c1cccc(S[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC001596731127 984999792 /nfs/dbraw/zinc/99/97/92/984999792.db2.gz XKQJLVGSGMMGGN-HNNXBMFYSA-N -1 0 334.368 3.920 20 0 EHADRM CC(=O)C(C)(C)CCC(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)F ZINC001589023268 985022381 /nfs/dbraw/zinc/02/23/81/985022381.db2.gz NMMCFWACQFVBBV-CQSZACIVSA-N -1 0 342.338 3.630 20 0 EHADRM CCOC(=O)c1oc2ccccc2c1COc1ccc(C(=O)[O-])cc1 ZINC001596755915 985132395 /nfs/dbraw/zinc/13/23/95/985132395.db2.gz KFFVFVYYQZYBIM-UHFFFAOYSA-N -1 0 340.331 3.887 20 0 EHADRM CO[C@H](C)c1nc(=NC(=O)[C@H](C)c2cccc(CC(C)C)c2)s[n-]1 ZINC000510103553 1015104147 /nfs/dbraw/zinc/10/41/47/1015104147.db2.gz RAXIPOVCNGFRKI-CHWSQXEVSA-N -1 0 347.484 3.608 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccccc2OC2CCCC2)C[C@]1(C)C(=O)[O-] ZINC001599923016 985162755 /nfs/dbraw/zinc/16/27/55/985162755.db2.gz OGFBZJSTRABUBZ-DJJJIMSYSA-N -1 0 346.427 3.583 20 0 EHADRM C[C@H]1CN(C(=O)c2ccccc2Nc2ccccc2)C[C@]1(C)C(=O)[O-] ZINC001599925596 985194831 /nfs/dbraw/zinc/19/48/31/985194831.db2.gz XMZLSFRCFHEQTP-XOBRGWDASA-N -1 0 338.407 3.613 20 0 EHADRM CCO[C@@H](C)c1ncc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)s1 ZINC001596775240 985204958 /nfs/dbraw/zinc/20/49/58/985204958.db2.gz BAEHXHZKKYNXLC-QWRGUYRKSA-N -1 0 348.424 3.681 20 0 EHADRM CCO[C@H](C)c1nccn1Cc1c2ccccc2sc1C(=O)[O-] ZINC001596777091 985219300 /nfs/dbraw/zinc/21/93/00/985219300.db2.gz UJSDVKLMKNOXSG-LLVKDONJSA-N -1 0 330.409 3.942 20 0 EHADRM CCO[C@@H](CC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1)C(C)C ZINC001596781919 985236942 /nfs/dbraw/zinc/23/69/42/985236942.db2.gz KHIQWWBNPJBMPB-HKUYNNGSSA-N -1 0 343.423 3.533 20 0 EHADRM CCO[C@@H](CNC(=O)Nc1cc(C(=O)[O-])sc1C)c1ccccc1 ZINC001596792926 985286314 /nfs/dbraw/zinc/28/63/14/985286314.db2.gz YGGAANOAJYFANX-AWEZNQCLSA-N -1 0 348.424 3.654 20 0 EHADRM CCO[C@@H]1C[C@@](NC(=O)c2ccc([C@@H](C)CC)cc2)(C(=O)[O-])C1(C)C ZINC001596827581 985441968 /nfs/dbraw/zinc/44/19/68/985441968.db2.gz IRUMCHHKNIYCMO-GQWAEJPESA-N -1 0 347.455 3.588 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)[C@H]1c1ccccc1 ZINC001594478425 985504813 /nfs/dbraw/zinc/50/48/13/985504813.db2.gz BJFUHVWKXAGHBX-BDJLRTHQSA-N -1 0 328.343 3.749 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cc(C(=O)[O-])ccc2F)[C@@H]1c1ccccc1 ZINC001594479155 985511764 /nfs/dbraw/zinc/51/17/64/985511764.db2.gz UCUKIAXOVVSJNF-BZNIZROVSA-N -1 0 328.343 3.749 20 0 EHADRM Cc1[nH]c(C(=O)CN[C@@H](C)c2cc3ccccc3o2)c(C)c1C(=O)[O-] ZINC001599947047 985544968 /nfs/dbraw/zinc/54/49/68/985544968.db2.gz LHWJVYAKTGGXLF-NSHDSACASA-N -1 0 340.379 3.609 20 0 EHADRM CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC001589204752 985662651 /nfs/dbraw/zinc/66/26/51/985662651.db2.gz CEXCDVBISHPNKJ-GTNSWQLSSA-N -1 0 346.814 3.775 20 0 EHADRM CC(=O)Nc1cccc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1C ZINC001589205173 985668882 /nfs/dbraw/zinc/66/88/82/985668882.db2.gz IJDCSMWHKJTEQO-UHFFFAOYSA-N -1 0 346.770 3.557 20 0 EHADRM Cc1[nH]c(C(=O)Nc2cccc(C(C)(C)C)c2O)c(C)c1C(=O)[O-] ZINC001599954869 985670704 /nfs/dbraw/zinc/67/07/04/985670704.db2.gz OVWRCLYNYLHKKS-UHFFFAOYSA-N -1 0 330.384 3.585 20 0 EHADRM Cc1[nH]c(C(=O)Nc2ccc(COC(C)C)cc2)c(C)c1C(=O)[O-] ZINC001599954863 985670804 /nfs/dbraw/zinc/67/08/04/985670804.db2.gz OSOMSSIIDHSJOB-UHFFFAOYSA-N -1 0 330.384 3.507 20 0 EHADRM Cc1[nH]c(C(=O)Nc2cccc3c2OC(C)(C)C=C3)c(C)c1C(=O)[O-] ZINC001599954986 985673119 /nfs/dbraw/zinc/67/31/19/985673119.db2.gz XNAGZOPKWASIIV-UHFFFAOYSA-N -1 0 340.379 3.766 20 0 EHADRM CC(=O)Nc1cccc(C(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])c1 ZINC001589205986 985673503 /nfs/dbraw/zinc/67/35/03/985673503.db2.gz SLPRJJXPBLZKRR-UHFFFAOYSA-N -1 0 346.770 3.557 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@H](C)Cc1ccc(C(C)C)cc1 ZINC001599955567 985682545 /nfs/dbraw/zinc/68/25/45/985682545.db2.gz LTMOJLYLLFDOHV-GFCCVEGCSA-N -1 0 342.439 3.814 20 0 EHADRM C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)C[C@@H](C2CC2)O1 ZINC001594501078 985683762 /nfs/dbraw/zinc/68/37/62/985683762.db2.gz LAUHNLKXLZSZBP-DVJZZOLTSA-N -1 0 344.238 3.618 20 0 EHADRM CCOCCC1(C(=O)OCc2c(Cl)cccc2C(=O)[O-])CCC1 ZINC001596899205 985865417 /nfs/dbraw/zinc/86/54/17/985865417.db2.gz OWHPRXCKOLKFNG-UHFFFAOYSA-N -1 0 340.803 3.678 20 0 EHADRM CCOCCCC(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001596905343 985886497 /nfs/dbraw/zinc/88/64/97/985886497.db2.gz YPOXWNZTRSIPRN-UHFFFAOYSA-N -1 0 345.848 3.662 20 0 EHADRM Cc1[nH]c2ccc(C(=O)Nc3ccc(CC(=O)[O-])c(F)c3)cc2c1C ZINC001599965079 985887248 /nfs/dbraw/zinc/88/72/48/985887248.db2.gz NJWMAVVCOBJJTJ-UHFFFAOYSA-N -1 0 340.354 3.803 20 0 EHADRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC001599965994 985906368 /nfs/dbraw/zinc/90/63/68/985906368.db2.gz BQHRVARAJJIFDA-UHFFFAOYSA-N -1 0 346.770 3.659 20 0 EHADRM Cc1[nH]c2ccccc2c1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O ZINC001599966069 985907697 /nfs/dbraw/zinc/90/76/97/985907697.db2.gz FMTVYFHOZRJQJZ-UHFFFAOYSA-N -1 0 344.754 3.786 20 0 EHADRM CCOCCCN(C[C@H](C)C(=O)[O-])c1nc2cc(C)ccc2s1 ZINC001596915410 985941868 /nfs/dbraw/zinc/94/18/68/985941868.db2.gz YGAPLOOZQIRDQR-ZDUSSCGKSA-N -1 0 336.457 3.558 20 0 EHADRM CC(=O)c1cc(NC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)ccc1C ZINC001589271160 985969142 /nfs/dbraw/zinc/96/91/42/985969142.db2.gz PUAIPFJZWLQRPX-CQSZACIVSA-N -1 0 346.427 3.552 20 0 EHADRM CC(=O)c1ccc2c(c1)CN([C@@H](C(=O)[O-])c1c(F)cccc1Cl)C2 ZINC001589305878 986071321 /nfs/dbraw/zinc/07/13/21/986071321.db2.gz PISOSRZTAFNRKM-QGZVFWFLSA-N -1 0 347.773 3.823 20 0 EHADRM CC(=O)c1csc(C(=O)Nc2ccc(OC(C)C)cc2C(=O)[O-])c1 ZINC001589323134 986141582 /nfs/dbraw/zinc/14/15/82/986141582.db2.gz XHYUAYFKSOLBIQ-UHFFFAOYSA-N -1 0 347.392 3.688 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)c3coc(C(F)F)c3)ccc2n1C ZINC001599984393 986208852 /nfs/dbraw/zinc/20/88/52/986208852.db2.gz ICAFFIDMVYCVJE-UHFFFAOYSA-N -1 0 349.289 3.935 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)C=C3CCSCC3)ccc2n1C ZINC001599986117 986228805 /nfs/dbraw/zinc/22/88/05/986228805.db2.gz QTTRDQCUHZYNOP-UHFFFAOYSA-N -1 0 345.420 3.544 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)c3cc(F)ccc3F)ccc2n1C ZINC001599986353 986231770 /nfs/dbraw/zinc/23/17/70/986231770.db2.gz YIMIVPDSRVNBLD-UHFFFAOYSA-N -1 0 345.301 3.682 20 0 EHADRM C[C@@H](C(=O)N([C@H](C)C(=O)[O-])C1CCC1)c1ccccc1C(F)(F)F ZINC001589342196 986264826 /nfs/dbraw/zinc/26/48/26/986264826.db2.gz ZKHMCPFWWURZJJ-GHMZBOCLSA-N -1 0 343.345 3.663 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1CCCCC1(F)F ZINC001597009947 986346934 /nfs/dbraw/zinc/34/69/34/986346934.db2.gz SKFOWKJBAGHYSM-NSHDSACASA-N -1 0 327.327 3.548 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@H](CC)CC1 ZINC001597017119 986391525 /nfs/dbraw/zinc/39/15/25/986391525.db2.gz UDRYUEPYFYOQON-ZDUSSCGKSA-N -1 0 334.416 3.828 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)Cc1ccccc1 ZINC001597023196 986428943 /nfs/dbraw/zinc/42/89/43/986428943.db2.gz ZBNMDVGPCVSJKW-ZDUSSCGKSA-N -1 0 327.380 3.601 20 0 EHADRM CCOc1cc(F)cc(CNc2ccc(C(=O)[O-])cc2OCC)c1 ZINC001597037179 986482058 /nfs/dbraw/zinc/48/20/58/986482058.db2.gz ZTLQZMOIVBVTSC-UHFFFAOYSA-N -1 0 333.359 3.933 20 0 EHADRM CCOc1cc(NC(=O)N[C@H](CC(=O)[O-])c2cccs2)ccc1C ZINC001597042086 986490702 /nfs/dbraw/zinc/49/07/02/986490702.db2.gz JFMPVPDVIUIWDL-CYBMUJFWSA-N -1 0 348.424 3.793 20 0 EHADRM CCOc1ccc(-c2nc(C)c(C(=O)O[C@@H](CC)C(=O)[O-])s2)cc1 ZINC001597049781 986524811 /nfs/dbraw/zinc/52/48/11/986524811.db2.gz ZSVCFGVIGIGATM-ZDUSSCGKSA-N -1 0 349.408 3.537 20 0 EHADRM CCOc1ccc(-c2noc([C@H]3CC[C@H](C(=O)[O-])CC3)n2)cc1F ZINC001597050037 986527468 /nfs/dbraw/zinc/52/74/68/986527468.db2.gz PGSYNBGUJMWHLW-XYPYZODXSA-N -1 0 334.347 3.633 20 0 EHADRM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1F)c1cccc(Cl)c1 ZINC001589414388 986631857 /nfs/dbraw/zinc/63/18/57/986631857.db2.gz HMFXLHKSYSMSNY-JTQLQIEISA-N -1 0 335.762 3.597 20 0 EHADRM C[C@@H]1Cc2cc(C(=O)Oc3ccc(C(=O)[O-])c(Cl)c3)ccc2O1 ZINC001594616469 986636453 /nfs/dbraw/zinc/63/64/53/986636453.db2.gz WAIIIGAMDWKUFP-SECBINFHSA-N -1 0 332.739 3.581 20 0 EHADRM C[C@H]1Cc2cc(C(=O)Nc3cc(Cl)c(F)c(C(=O)[O-])c3)ccc2O1 ZINC001594616808 986637362 /nfs/dbraw/zinc/63/73/62/986637362.db2.gz WXUWSEQBASNEBD-QMMMGPOBSA-N -1 0 349.745 3.753 20 0 EHADRM C[C@H]1Cc2cc(C(=O)Nc3cc(Cl)cc(C(=O)[O-])c3)ccc2O1 ZINC001594617228 986638187 /nfs/dbraw/zinc/63/81/87/986638187.db2.gz ZLZJUBWECLGCAM-VIFPVBQESA-N -1 0 331.755 3.614 20 0 EHADRM C[C@H](C(=O)Nc1cc(F)cc(C(=O)[O-])c1F)c1ccc(F)c(F)c1 ZINC001589429751 986711557 /nfs/dbraw/zinc/71/15/57/986711557.db2.gz PJHCYYOHZKKUMH-ZETCQYMHSA-N -1 0 341.260 3.683 20 0 EHADRM CCOc1ccc(Cl)c(NC(=O)Cc2cccc(C(=O)[O-])c2)c1 ZINC001597106289 986746465 /nfs/dbraw/zinc/74/64/65/986746465.db2.gz NAFDFHJMVKQPSX-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM C[C@@H](C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)c1ccc(Cl)cc1 ZINC001589438308 986761728 /nfs/dbraw/zinc/76/17/28/986761728.db2.gz KNRTWAYTHCREOO-SECBINFHSA-N -1 0 343.770 3.657 20 0 EHADRM C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001594654669 986885501 /nfs/dbraw/zinc/88/55/01/986885501.db2.gz INLHAMJAFYZNKF-BJOHPYRUSA-N -1 0 346.770 3.682 20 0 EHADRM CCOc1cccc(-c2cccc(NC(=O)C[C@@H](C)CC(=O)[O-])n2)c1 ZINC001597145662 986907176 /nfs/dbraw/zinc/90/71/76/986907176.db2.gz KOSKMUPCUKNXAJ-CYBMUJFWSA-N -1 0 342.395 3.587 20 0 EHADRM CCOc1cccc(C(=O)N(CC(=O)[O-])[C@H](CC)c2ccccc2)c1 ZINC001597146005 986909346 /nfs/dbraw/zinc/90/93/46/986909346.db2.gz ROZZAMRKUOSXDI-GOSISDBHSA-N -1 0 341.407 3.763 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)C1(Cc2ccccc2Cl)CC1)C1CCC1 ZINC001589469022 986937252 /nfs/dbraw/zinc/93/72/52/986937252.db2.gz OLCPRHKXOUCNGF-GFCCVEGCSA-N -1 0 335.831 3.517 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1coc2cc(F)ccc21)c1ccccc1 ZINC001589469389 986941024 /nfs/dbraw/zinc/94/10/24/986941024.db2.gz KVNSYRZGIDHRCI-DIFFPNOSSA-N -1 0 341.338 3.764 20 0 EHADRM CCOc1cccc(CN(CC(=O)[O-])[C@H](CC)c2ccccc2)n1 ZINC001597154098 986941289 /nfs/dbraw/zinc/94/12/89/986941289.db2.gz XWIWWJVCCMSESB-QGZVFWFLSA-N -1 0 328.412 3.518 20 0 EHADRM C[C@H]1SCC[C@@H]1NC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001594664589 986953345 /nfs/dbraw/zinc/95/33/45/986953345.db2.gz UQSCHPAJPMNNRY-KCJUWKMLSA-N -1 0 336.438 3.615 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)CC1CCC(C(F)(F)F)CC1)C1CCC1 ZINC001589470710 986955942 /nfs/dbraw/zinc/95/59/42/986955942.db2.gz BKPCOBSRIAPAAW-VOMCLLRMSA-N -1 0 335.366 3.599 20 0 EHADRM C[C@H]1c2cc(F)cc(F)c2CCN1Cc1ccc(OCC(=O)[O-])cc1 ZINC001594666433 986965205 /nfs/dbraw/zinc/96/52/05/986965205.db2.gz VXPIWARSIBYZNM-LBPRGKRZSA-N -1 0 347.361 3.548 20 0 EHADRM C[C@H]1Sc2ccccc2N(C(=O)Cc2ccc(C(=O)[O-])cc2)[C@H]1C ZINC001594666717 986967889 /nfs/dbraw/zinc/96/78/89/986967889.db2.gz ZBNKMKVMTIUAJZ-QWHCGFSZSA-N -1 0 341.432 3.843 20 0 EHADRM CCOc1cccc2[nH]cc(CC(=O)Nc3ccsc3C(=O)[O-])c21 ZINC001597164705 986980038 /nfs/dbraw/zinc/98/00/38/986980038.db2.gz CYEIMWPVFGQAJW-UHFFFAOYSA-N -1 0 344.392 3.508 20 0 EHADRM C/C=C(/C=C\C(=O)N[C@H](C[C@H]1CCCc2ccccc21)C(=O)[O-])CC ZINC001594677623 987016594 /nfs/dbraw/zinc/01/65/94/987016594.db2.gz PVTVLBDFMXBYQD-CXGIYAFGSA-N -1 0 341.451 3.979 20 0 EHADRM C/C=C\COc1cccc(CC(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001594689457 987076514 /nfs/dbraw/zinc/07/65/14/987076514.db2.gz SIHAVZJRLMMEAI-IHWYPQMZSA-N -1 0 343.354 3.660 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)C23CC(C(F)(F)F)(C2)C3)cc1 ZINC001589503589 987108760 /nfs/dbraw/zinc/10/87/60/987108760.db2.gz MDEQOGXYNNOFLB-RAXBXGLRSA-N -1 0 327.302 3.546 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2CCC(C)(C3CC3)CC2)cc1 ZINC001589507968 987125654 /nfs/dbraw/zinc/12/56/54/987125654.db2.gz FRUVZFCNSSZDEF-ZDUSSCGKSA-N -1 0 330.428 3.919 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2Cc3ccccc3C[C@H]2C)cc1 ZINC001589510881 987137177 /nfs/dbraw/zinc/13/71/77/987137177.db2.gz XLYWJCAUFJRJJI-KGLIPLIRSA-N -1 0 338.407 3.853 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2Cc3ccccc3C[C@H]2C)cc1 ZINC001589510885 987137448 /nfs/dbraw/zinc/13/74/48/987137448.db2.gz XLYWJCAUFJRJJI-ZIAGYGMSSA-N -1 0 338.407 3.853 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1 ZINC001589511993 987145211 /nfs/dbraw/zinc/14/52/11/987145211.db2.gz FOJJDYAYFMMDMJ-NZUILWFCSA-N -1 0 330.428 3.965 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NCCc2ccccc2Cl)cc1 ZINC001589512850 987152612 /nfs/dbraw/zinc/15/26/12/987152612.db2.gz MJRGWRPCHWUZBL-LBPRGKRZSA-N -1 0 346.814 3.892 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)Nc2cnn([C@@H](C)C3CC3)c2)cc1 ZINC001589513084 987154492 /nfs/dbraw/zinc/15/44/92/987154492.db2.gz YTVNFSHTGOJCSX-RYUDHWBXSA-N -1 0 342.399 3.686 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)C2CC(O)(CCC(C)(C)C)C2)c1 ZINC001589523452 987189969 /nfs/dbraw/zinc/18/99/69/987189969.db2.gz ZBGPWWCHZYEFDI-JUJQQSPASA-N -1 0 347.455 3.781 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cccnc2C(F)(F)F)c1 ZINC001589531473 987203689 /nfs/dbraw/zinc/20/36/89/987203689.db2.gz FJQUPVAMUSVIBS-SECBINFHSA-N -1 0 338.285 3.541 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)Cc2cncc3ccccc32)c1 ZINC001589532237 987212317 /nfs/dbraw/zinc/21/23/17/987212317.db2.gz CPYMQIKULOKENA-CYBMUJFWSA-N -1 0 334.375 3.604 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cc3ccncc3s2)c1 ZINC001589532562 987215639 /nfs/dbraw/zinc/21/56/39/987215639.db2.gz SAGWHKBBVHFSMZ-SNVBAGLBSA-N -1 0 326.377 3.737 20 0 EHADRM C[C@@H](Nc1cccc([C@@H](C)C(=O)[O-])c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001589532995 987220998 /nfs/dbraw/zinc/22/09/98/987220998.db2.gz XTCYLAZEAQULOQ-CHWSQXEVSA-N -1 0 348.443 3.542 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)CCOc2cccc(Cl)c2)c1 ZINC001589534580 987230811 /nfs/dbraw/zinc/23/08/11/987230811.db2.gz ZERMETRQQRGWBU-LBPRGKRZSA-N -1 0 347.798 3.936 20 0 EHADRM CC[C@@H](C(=O)N[C@@H](CC1CC1)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001594729048 987239128 /nfs/dbraw/zinc/23/91/28/987239128.db2.gz MOEYDJCXHLWLQS-KGLIPLIRSA-N -1 0 343.345 3.569 20 0 EHADRM CC[C@@H](C(=O)N1C[C@@H](C(=O)[O-])Cc2ccccc21)c1ccc(F)cc1 ZINC001594729699 987245405 /nfs/dbraw/zinc/24/54/05/987245405.db2.gz LBDKFSFVZQXTKF-DOTOQJQBSA-N -1 0 341.382 3.609 20 0 EHADRM CC[C@H](C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-])c1ccc(F)cc1 ZINC001594733902 987256295 /nfs/dbraw/zinc/25/62/95/987256295.db2.gz HQTWJFDPVHREAI-BVGQSLNGSA-N -1 0 343.398 3.898 20 0 EHADRM CC[C@@H](C(=O)Nc1c(C)csc1C(=O)[O-])c1ccc(OC)cc1 ZINC001594737551 987281417 /nfs/dbraw/zinc/28/14/17/987281417.db2.gz YMVJAODSNGBXQH-CYBMUJFWSA-N -1 0 333.409 3.896 20 0 EHADRM CCSc1ccc(CC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])cc1 ZINC001597272341 987319617 /nfs/dbraw/zinc/31/96/17/987319617.db2.gz FDNNHFSWZNYEHD-QGZVFWFLSA-N -1 0 349.496 3.881 20 0 EHADRM CCSc1cccc(F)c1NC(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001597277257 987334121 /nfs/dbraw/zinc/33/41/21/987334121.db2.gz KXXRXOPAQASHSI-MRXNPFEDSA-N -1 0 340.420 3.656 20 0 EHADRM CCSc1cccc(F)c1NCC(=O)Nc1ccccc1C(=O)[O-] ZINC001597277398 987334934 /nfs/dbraw/zinc/33/49/34/987334934.db2.gz OXSRLCVQWJNVLS-UHFFFAOYSA-N -1 0 348.399 3.687 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)NC1(C2CCC2)CCC1)c1ccccc1 ZINC001589594000 987409837 /nfs/dbraw/zinc/40/98/37/987409837.db2.gz LSCDQKSTXHUPAI-INIZCTEOSA-N -1 0 344.455 3.861 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)NCCC[C@@H]1C=CCC1)c1ccccc1 ZINC001589595126 987412257 /nfs/dbraw/zinc/41/22/57/987412257.db2.gz SVXWFBFKHRQHSZ-NVXWUHKLSA-N -1 0 344.455 3.884 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001589611707 987467592 /nfs/dbraw/zinc/46/75/92/987467592.db2.gz ULWVFUMIOQYKJK-VNQPRFMTSA-N -1 0 349.858 3.793 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2ccccc2C(F)F)C1 ZINC001589611975 987471380 /nfs/dbraw/zinc/47/13/80/987471380.db2.gz MIXVHNYNCQQWLC-LLVKDONJSA-N -1 0 325.355 3.587 20 0 EHADRM CC[C@H](NC(=O)NCCCCC1(C(=O)[O-])CCC1)c1ccccc1 ZINC001597336444 987474492 /nfs/dbraw/zinc/47/44/92/987474492.db2.gz PDXJJCNIPXSWKC-INIZCTEOSA-N -1 0 332.444 3.862 20 0 EHADRM CC[C@H]1CC[C@H](C(=O)Nc2cc3c(cc2C(=O)[O-])OCCCO3)CC1 ZINC001597356314 987505291 /nfs/dbraw/zinc/50/52/91/987505291.db2.gz VCKDNTPQSKDXSU-JOCQHMNTSA-N -1 0 347.411 3.701 20 0 EHADRM CCc1[nH]c(C(=O)N2CCCC[C@H]2c2ccccc2)c(C)c1C(=O)[O-] ZINC001597361638 987521969 /nfs/dbraw/zinc/52/19/69/987521969.db2.gz TZNDSIOFPSWWFO-INIZCTEOSA-N -1 0 340.423 3.951 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N2CCCC(F)(F)CC2)cc1 ZINC001589636407 987554419 /nfs/dbraw/zinc/55/44/19/987554419.db2.gz QSMAGRGFRSFZLV-UHFFFAOYSA-N -1 0 340.370 3.702 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Nc2ccnn2C2CCC2)cc1 ZINC001589638603 987560957 /nfs/dbraw/zinc/56/09/57/987560957.db2.gz OKDMCNFSPFGYAJ-UHFFFAOYSA-N -1 0 342.399 3.614 20 0 EHADRM CCc1[nH]c(C(=O)Nc2nc3c(s2)CCCCC3)c(C)c1C(=O)[O-] ZINC001597374454 987561723 /nfs/dbraw/zinc/56/17/23/987561723.db2.gz MXJPGIWOFYPXEZ-UHFFFAOYSA-N -1 0 347.440 3.561 20 0 EHADRM CCc1[nH]c(CN2CCc3ccc(C(C)C)cc3C2)cc1C(=O)[O-] ZINC001597386232 987602567 /nfs/dbraw/zinc/60/25/67/987602567.db2.gz GJGPZPKTPUHBND-UHFFFAOYSA-N -1 0 326.440 3.957 20 0 EHADRM CCc1c(C(=O)CSc2ccc(C(=O)[O-])cc2)[nH]c(C)c1C(C)=O ZINC001597400975 987668066 /nfs/dbraw/zinc/66/80/66/987668066.db2.gz XVJJDOLBVRFNDT-UHFFFAOYSA-N -1 0 345.420 3.761 20 0 EHADRM CCc1c(C(=O)OCc2ccc(C(=O)[O-])cc2)cnn1C1CCCC1 ZINC001597414593 987711919 /nfs/dbraw/zinc/71/19/19/987711919.db2.gz GPNIOPXIQGZRDT-UHFFFAOYSA-N -1 0 342.395 3.616 20 0 EHADRM CCc1cc(C(=O)N[C@@H](C(=O)[O-])C(C)C)sc1-c1ccccc1 ZINC001597427513 987758693 /nfs/dbraw/zinc/75/86/93/987758693.db2.gz IDPMICJSMKNAIW-OAHLLOKOSA-N -1 0 331.437 3.817 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)CCc1ccc(Cl)c(Cl)c1 ZINC001589699875 987788415 /nfs/dbraw/zinc/78/84/15/987788415.db2.gz HRCHNNVNJTXDAP-CYBMUJFWSA-N -1 0 346.254 3.932 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)[C@H](c1ccncc1)C1CCCCC1 ZINC001589700435 987790802 /nfs/dbraw/zinc/79/08/02/987790802.db2.gz LMTMNUUCTKAECL-AEFFLSMTSA-N -1 0 346.471 3.751 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)Nc1ccc2c3c(cccc31)CC2 ZINC001589702315 987797369 /nfs/dbraw/zinc/79/73/69/987797369.db2.gz BWISEZLIVDXIHN-MRXNPFEDSA-N -1 0 340.423 3.949 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)Nc1csc(-c2ccccc2)n1 ZINC001589703200 987804565 /nfs/dbraw/zinc/80/45/65/987804565.db2.gz VWKQACKUMXTWNJ-GFCCVEGCSA-N -1 0 347.440 3.821 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)COc1cc(C)cc(C)c1 ZINC001597451874 987844643 /nfs/dbraw/zinc/84/46/43/987844643.db2.gz JTZRXPGMTGOQME-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)Cc1ccc(-n2cccc2)cc1 ZINC001597452307 987848284 /nfs/dbraw/zinc/84/82/84/987848284.db2.gz PGIVLRQZIIGYMR-UHFFFAOYSA-N -1 0 348.402 3.919 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@H]1c1cc(C)no1 ZINC001597453926 987858447 /nfs/dbraw/zinc/85/84/47/987858447.db2.gz WGWSGZPAVMNWJF-HNNXBMFYSA-N -1 0 343.383 3.613 20 0 EHADRM CC(C)(C)[C@H](NC(=O)Cc1ccccc1C(=O)[O-])c1cccc(F)c1 ZINC001589717454 987867700 /nfs/dbraw/zinc/86/77/00/987867700.db2.gz ZHYDRSMHIVTXNB-GOSISDBHSA-N -1 0 343.398 3.970 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCCc1cccc(F)c1F ZINC001597458142 987880917 /nfs/dbraw/zinc/88/09/17/987880917.db2.gz DRIUQRDEGPUTPO-UHFFFAOYSA-N -1 0 348.349 3.590 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCCCc1cccc(F)c1 ZINC001597459998 987888591 /nfs/dbraw/zinc/88/85/91/987888591.db2.gz QREADNSVTWYNLW-UHFFFAOYSA-N -1 0 344.386 3.841 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(-c2cnco2)cc1 ZINC001597465394 987903167 /nfs/dbraw/zinc/90/31/67/987903167.db2.gz VNMJTKZLDSYYPE-UHFFFAOYSA-N -1 0 336.347 3.855 20 0 EHADRM CC(C)(C)C1CCC(CNC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)CC1 ZINC001589728146 987927514 /nfs/dbraw/zinc/92/75/14/987927514.db2.gz FBGXTIZMWDNHEM-KNIAUWFNSA-N -1 0 338.492 3.782 20 0 EHADRM CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)c1cccc(CC(=O)[O-])c1 ZINC001589729297 987942243 /nfs/dbraw/zinc/94/22/43/987942243.db2.gz WSFDYBHFSDHPJY-DLBZAZTESA-N -1 0 331.456 3.896 20 0 EHADRM CS[C@H]1CC[C@H](N(C)C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)C1 ZINC001599787366 987946020 /nfs/dbraw/zinc/94/60/20/987946020.db2.gz CNQYHHXALVOPHR-RYUDHWBXSA-N -1 0 347.440 3.614 20 0 EHADRM CS[C@@H]1CC[C@@H](NC(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)C1 ZINC001599787421 987947733 /nfs/dbraw/zinc/94/77/33/987947733.db2.gz DQPXNJHEPJZXGM-TZMCWYRMSA-N -1 0 344.436 3.944 20 0 EHADRM CC(C)(C)[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2Cl)CCO1 ZINC001589732465 987961814 /nfs/dbraw/zinc/96/18/14/987961814.db2.gz QIAOCEPPPQBUNL-CABCVRRESA-N -1 0 325.836 3.603 20 0 EHADRM CCc1cc(NCc2ccc(-c3ccccc3C(=O)[O-])o2)n(C)n1 ZINC001597482312 987977008 /nfs/dbraw/zinc/97/70/08/987977008.db2.gz DQSSHEPWHYPVRP-UHFFFAOYSA-N -1 0 325.368 3.553 20 0 EHADRM CS[C@H]1CCC[C@H](NC(=O)Nc2c(C)sc(C)c2C(=O)[O-])C1 ZINC001599789368 987980741 /nfs/dbraw/zinc/98/07/41/987980741.db2.gz RUXWLKSLESDRMN-QWRGUYRKSA-N -1 0 342.486 3.859 20 0 EHADRM CS[C@H]1CCCCN(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)C1 ZINC001599789735 987987525 /nfs/dbraw/zinc/98/75/25/987987525.db2.gz XBJDWCDAZLZHCV-DOMZBBRYSA-N -1 0 336.457 3.624 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)[C@H]1CCC[C@H]1Cc1ccccc1)C(=O)[O-] ZINC001589743416 988027196 /nfs/dbraw/zinc/02/71/96/988027196.db2.gz NGAPCGJSRTXKBV-ULQDDVLXSA-N -1 0 331.456 3.651 20 0 EHADRM CCc1ccc(-c2csc(NC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)n2)cc1 ZINC001597492951 988034652 /nfs/dbraw/zinc/03/46/52/988034652.db2.gz ZTYRLBUXGMDHNC-UONOGXRCSA-N -1 0 344.436 3.812 20 0 EHADRM CCc1ccc(C(=O)N[C@@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)cc1 ZINC001597500210 988053811 /nfs/dbraw/zinc/05/38/11/988053811.db2.gz GRCPSUORSINOSA-SZNDQCEHSA-N -1 0 337.419 3.856 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)c1cccc(C(=O)[O-])n1)c1ccccc1 ZINC001589751809 988056613 /nfs/dbraw/zinc/05/66/13/988056613.db2.gz SBROAYLVFZWHFJ-INIZCTEOSA-N -1 0 326.396 3.687 20 0 EHADRM CCc1ccc(C(=O)Nc2cc(COC)cc(C(=O)[O-])c2)cc1CC ZINC001597502826 988069016 /nfs/dbraw/zinc/06/90/16/988069016.db2.gz GTCINDMFPKSOII-UHFFFAOYSA-N -1 0 341.407 3.908 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)c1ccc(Cn2cccc2)cc1)C(=O)[O-] ZINC001589761502 988087658 /nfs/dbraw/zinc/08/76/58/988087658.db2.gz AMVPLGFZBGSLQJ-INIZCTEOSA-N -1 0 329.396 3.583 20 0 EHADRM CSCC[C@@H](OC(=O)[C@@H](C)c1ccc2ccccc2c1)C(=O)[O-] ZINC001599796449 988105102 /nfs/dbraw/zinc/10/51/02/988105102.db2.gz OCNIHJVXZAINNM-BLLLJJGKSA-N -1 0 332.421 3.693 20 0 EHADRM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)NC2CC(CC(=O)[O-])C2)o1 ZINC001597517419 988132973 /nfs/dbraw/zinc/13/29/73/988132973.db2.gz MMBZCOUZXWIDQG-UWLZSVRSSA-N -1 0 348.443 3.578 20 0 EHADRM CC(C)(C)N(Cc1ccsc1)C(=O)c1cccc(CC(=O)[O-])c1 ZINC001589796043 988192639 /nfs/dbraw/zinc/19/26/39/988192639.db2.gz MBCSXPLAOMGJRO-UHFFFAOYSA-N -1 0 331.437 3.816 20 0 EHADRM CSCc1ccc(CN2C[C@@H](C(=O)[O-])Cc3ccccc32)cc1 ZINC001599802638 988202109 /nfs/dbraw/zinc/20/21/09/988202109.db2.gz PWVZXWIKVYEUEW-KRWDZBQOSA-N -1 0 327.449 3.813 20 0 EHADRM CSCc1cc(C(=O)O[C@@H](C)c2cc(C(=O)[O-])co2)ccc1F ZINC001599802684 988203251 /nfs/dbraw/zinc/20/32/51/988203251.db2.gz VEAIBVQNTANSLW-VIFPVBQESA-N -1 0 338.356 3.898 20 0 EHADRM CCc1ccc(NC(=O)[C@@H]2C[C@]2(F)c2ccccc2)c(C(=O)[O-])c1 ZINC001597542494 988230562 /nfs/dbraw/zinc/23/05/62/988230562.db2.gz DGJDQOMWEAHLTR-KXBFYZLASA-N -1 0 327.355 3.771 20 0 EHADRM CCc1ccc(NC(=O)Cn2cc(C)c3ccccc32)c(C(=O)[O-])c1 ZINC001597544264 988241503 /nfs/dbraw/zinc/24/15/03/988241503.db2.gz DISHDFADWFCLCJ-UHFFFAOYSA-N -1 0 336.391 3.849 20 0 EHADRM CCc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(OC)c2)c(C(=O)[O-])c1 ZINC001597546518 988249724 /nfs/dbraw/zinc/24/97/24/988249724.db2.gz FFZMEUDCGQTEPC-JKSUJKDBSA-N -1 0 339.391 3.698 20 0 EHADRM CSc1c(F)cccc1C(=O)Nc1cc(C)c(C(=O)[O-])c(C)n1 ZINC001599806211 988260795 /nfs/dbraw/zinc/26/07/95/988260795.db2.gz QDGSWGFQCSTGTK-UHFFFAOYSA-N -1 0 334.372 3.510 20 0 EHADRM CSc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)co1 ZINC001599807271 988275709 /nfs/dbraw/zinc/27/57/09/988275709.db2.gz LOAWDZYWMHHYQV-UHFFFAOYSA-N -1 0 343.307 3.553 20 0 EHADRM CCc1ccc(N[C@H](C(=O)[O-])c2cc(OC)cc(OC)c2)cc1F ZINC001597552124 988279555 /nfs/dbraw/zinc/27/95/55/988279555.db2.gz UEZAQSAJRAOXMA-KRWDZBQOSA-N -1 0 333.359 3.643 20 0 EHADRM CSc1cc(C)ccc1CNC(=O)NCCCCCCC(=O)[O-] ZINC001599809044 988301933 /nfs/dbraw/zinc/30/19/33/988301933.db2.gz YBRUEHQJOSXBDC-UHFFFAOYSA-N -1 0 338.473 3.551 20 0 EHADRM CSc1cc(NC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)ccc1Cl ZINC001599809344 988307822 /nfs/dbraw/zinc/30/78/22/988307822.db2.gz CYOFGEFMVCPPOG-UHFFFAOYSA-N -1 0 338.816 3.957 20 0 EHADRM CSc1cc(O)ccc1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001599809723 988313624 /nfs/dbraw/zinc/31/36/24/988313624.db2.gz NPHQQRLDBDRYLM-UHFFFAOYSA-N -1 0 336.344 3.595 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H]2CCCC2(C)C)cc1 ZINC001599810767 988330318 /nfs/dbraw/zinc/33/03/18/988330318.db2.gz GOTITDPSQADTHU-HUUCEWRRSA-N -1 0 335.469 3.867 20 0 EHADRM CCc1ccc2occ(C(=O)N[C@@]3(C)CCCC[C@H]3C(=O)[O-])c2c1 ZINC001597570482 988345237 /nfs/dbraw/zinc/34/52/37/988345237.db2.gz LICHJERUDMWPER-KXBFYZLASA-N -1 0 329.396 3.759 20 0 EHADRM CSc1ccc(NC(=O)CCOc2ccccc2C)cc1C(=O)[O-] ZINC001599815275 988411654 /nfs/dbraw/zinc/41/16/54/988411654.db2.gz CKMPGBDYKNRFSC-UHFFFAOYSA-N -1 0 345.420 3.823 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1ccccc1OC1CC1 ZINC001597590604 988412859 /nfs/dbraw/zinc/41/28/59/988412859.db2.gz ANPIJYWOGWJDHT-UHFFFAOYSA-N -1 0 325.364 3.741 20 0 EHADRM CCc1cccc(Cl)c1CN1CCOc2c(cccc2C(=O)[O-])C1 ZINC001597592469 988420101 /nfs/dbraw/zinc/42/01/01/988420101.db2.gz GLDUTTBHTHFIKC-UHFFFAOYSA-N -1 0 345.826 3.995 20 0 EHADRM CCc1ccccc1CC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001597609305 988494111 /nfs/dbraw/zinc/49/41/11/988494111.db2.gz LYEVXEKCQPAYGX-UHFFFAOYSA-N -1 0 343.448 3.997 20 0 EHADRM CSc1cccc(F)c1CNc1nc(Cl)c(C(=O)[O-])s1 ZINC001599821476 988521655 /nfs/dbraw/zinc/52/16/55/988521655.db2.gz BHFCOLXXWYQIDW-UHFFFAOYSA-N -1 0 332.809 3.968 20 0 EHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ncc(C(=O)[O-])cc1Cl ZINC001597621500 988549188 /nfs/dbraw/zinc/54/91/88/988549188.db2.gz NZUORJYHBRNASW-UONOGXRCSA-N -1 0 344.798 3.738 20 0 EHADRM CSc1ccccc1NC(=O)CCSCC(C)(C)C(=O)[O-] ZINC001599825335 988589230 /nfs/dbraw/zinc/58/92/30/988589230.db2.gz TYGWNQSJHXYOIO-UHFFFAOYSA-N -1 0 327.471 3.581 20 0 EHADRM CCc1cnc(CN[C@@H](C(=O)[O-])c2cccc3ccccc32)s1 ZINC001597630842 988592965 /nfs/dbraw/zinc/59/29/65/988592965.db2.gz FNSWQFRTJQSALL-QGZVFWFLSA-N -1 0 326.421 3.774 20 0 EHADRM CCc1cnccc1[C@H](C)NC(=O)Nc1cccc(C(=O)[O-])c1C ZINC001597637115 988621234 /nfs/dbraw/zinc/62/12/34/988621234.db2.gz WKGHCVOZCGNNMQ-LBPRGKRZSA-N -1 0 327.384 3.533 20 0 EHADRM C[C@@H](Cc1ccccc1)C(=O)OCc1c(F)cc(C(=O)[O-])cc1F ZINC001599837559 988768332 /nfs/dbraw/zinc/76/83/32/988768332.db2.gz OETINOJIDWEOPP-NSHDSACASA-N -1 0 334.318 3.585 20 0 EHADRM C[C@@H](NC(=O)/C=C\c1cc(C(=O)[O-])co1)c1ccc2c(c1)CCCC2 ZINC001599838101 988777445 /nfs/dbraw/zinc/77/74/45/988777445.db2.gz PEOCMHGFQYQWJA-LJTDUEICSA-N -1 0 339.391 3.747 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc(CSCCC(=O)[O-])c1)C(C)(C)C ZINC001599839772 988805716 /nfs/dbraw/zinc/80/57/16/988805716.db2.gz UJGLHLZHMIVETR-GFCCVEGCSA-N -1 0 338.473 3.951 20 0 EHADRM CCc1nc(NC(=O)c2ccc(OC(C)(C)C)cc2)sc1C(=O)[O-] ZINC001597685428 988834281 /nfs/dbraw/zinc/83/42/81/988834281.db2.gz RVWAUAIUCGOWEY-UHFFFAOYSA-N -1 0 348.424 3.833 20 0 EHADRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])o1)c1ccc(OC(F)(F)F)cc1 ZINC001599846610 988943526 /nfs/dbraw/zinc/94/35/26/988943526.db2.gz LAHOOEULFGALAS-MRVPVSSYSA-N -1 0 344.241 3.794 20 0 EHADRM CCc1nnc(NCc2c3ccccc3sc2C(=O)[O-])nc1CC ZINC001597734521 989069498 /nfs/dbraw/zinc/06/94/98/989069498.db2.gz AVVPBEQGMSEKJJ-UHFFFAOYSA-N -1 0 342.424 3.521 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(COC(C)(C)C)cc2)C[C@H]1CC(=O)[O-] ZINC001599860828 989164727 /nfs/dbraw/zinc/16/47/27/989164727.db2.gz NYSZLMUCEMFQGP-UKRRQHHQSA-N -1 0 348.443 3.576 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)Cc1cccc(C(F)F)c1 ZINC001597772259 989235843 /nfs/dbraw/zinc/23/58/43/989235843.db2.gz BLIYXNTVFYPNBF-UHFFFAOYSA-N -1 0 338.306 3.764 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)Cc1ccc(Cl)s1 ZINC001597772384 989238585 /nfs/dbraw/zinc/23/85/85/989238585.db2.gz KHAQLCJEBPSQOM-UHFFFAOYSA-N -1 0 328.773 3.541 20 0 EHADRM CCc1oc(CN(C)Cc2ccc(OC)c(Cl)c2)cc1C(=O)[O-] ZINC001597792705 989333757 /nfs/dbraw/zinc/33/37/57/989333757.db2.gz GFQYUFSYHRMBGS-UHFFFAOYSA-N -1 0 337.803 3.834 20 0 EHADRM CCc1oc2ccccc2c1CC(=O)N[C@@H](CC(C)(C)C)C(=O)[O-] ZINC001597807950 989422689 /nfs/dbraw/zinc/42/26/89/989422689.db2.gz NUCOCVGWHKEQNR-AWEZNQCLSA-N -1 0 331.412 3.543 20 0 EHADRM CCc1oc2ccccc2c1CC(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001597807960 989422776 /nfs/dbraw/zinc/42/27/76/989422776.db2.gz OGOIQXJMKNRGHO-UHFFFAOYSA-N -1 0 343.423 3.689 20 0 EHADRM CCc1onc(-c2ccccc2Cl)c1C(=O)OC/C=C(/C)C(=O)[O-] ZINC001597810640 989425780 /nfs/dbraw/zinc/42/57/80/989425780.db2.gz ABQNVACRIHACDN-NTMALXAHSA-N -1 0 349.770 3.745 20 0 EHADRM CCc1sc(C(=O)[O-])cc1-c1ccc([C@@H]2NC(=O)C2(C)C)cc1 ZINC001597818032 989450696 /nfs/dbraw/zinc/45/06/96/989450696.db2.gz JLQDAOGNRSRKTI-HNNXBMFYSA-N -1 0 329.421 3.873 20 0 EHADRM CCc1sc(C(=O)[O-])cc1-c1ccc([C@H]2NC(=O)C2(C)C)cc1 ZINC001597818034 989450700 /nfs/dbraw/zinc/45/07/00/989450700.db2.gz JLQDAOGNRSRKTI-OAHLLOKOSA-N -1 0 329.421 3.873 20 0 EHADRM CCc1sc(C(=O)N[C@H](C(=O)[O-])c2ccc(C)c(C)c2)cc1C ZINC001597818200 989451720 /nfs/dbraw/zinc/45/17/20/989451720.db2.gz MZLPETGANOWDIY-INIZCTEOSA-N -1 0 331.437 3.791 20 0 EHADRM CCn1c(C)cc(C(=O)COc2ccc(C(=O)[O-])cc2Cl)c1C ZINC001597842573 989545767 /nfs/dbraw/zinc/54/57/67/989545767.db2.gz JKVVNFYLGPLSRF-UHFFFAOYSA-N -1 0 335.787 3.738 20 0 EHADRM C[C@H](C(=O)[N-]S(=O)(=O)CC1CC1)c1c(Cl)cccc1Cl ZINC000073539033 1015489191 /nfs/dbraw/zinc/48/91/91/1015489191.db2.gz HLCUFXBKLDAXGE-QMMMGPOBSA-N -1 0 336.240 3.793 20 0 EHADRM CC(C)(C)OC(=O)NCc1cc(-c2cncc(C(=O)[O-])c2)cs1 ZINC001590216677 989590478 /nfs/dbraw/zinc/59/04/78/989590478.db2.gz YQSSNOVOLAMWKU-UHFFFAOYSA-N -1 0 334.397 3.533 20 0 EHADRM CCn1c2ccc(C)cc2nc1NCc1ccc(C(=O)[O-])c(F)c1 ZINC001597860608 989636314 /nfs/dbraw/zinc/63/63/14/989636314.db2.gz XWPPBYFOUXBLEM-UHFFFAOYSA-N -1 0 327.359 3.814 20 0 EHADRM CCn1c(=O)c2ccccc2nc1S[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC001597861670 989638540 /nfs/dbraw/zinc/63/85/40/989638540.db2.gz CTZSELOCCMIUDO-JTQLQIEISA-N -1 0 344.392 3.561 20 0 EHADRM CC(C)(C)OCc1ccccc1NC(=O)N[C@@](C)(CC(=O)[O-])C1CC1 ZINC001590398669 989931195 /nfs/dbraw/zinc/93/11/95/989931195.db2.gz MPFIKLBANXXPHA-IBGZPJMESA-N -1 0 348.443 3.767 20 0 EHADRM CC(C)(C)Oc1ccc(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)nc1 ZINC001590409307 989946513 /nfs/dbraw/zinc/94/65/13/989946513.db2.gz IGVJANZIXYBEEC-UHFFFAOYSA-N -1 0 339.351 3.674 20 0 EHADRM CC(C)(C)O[C@H]1C[C@H](NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC001590409691 989948658 /nfs/dbraw/zinc/94/86/58/989948658.db2.gz YIJZJBDVWOMJQZ-XYPYZODXSA-N -1 0 340.807 3.506 20 0 EHADRM CC(C)(C)Oc1ccc(-c2noc(-c3ccc(C(=O)[O-])s3)n2)nc1 ZINC001590410440 989952055 /nfs/dbraw/zinc/95/20/55/989952055.db2.gz WTEBPXBYNQJYRA-UHFFFAOYSA-N -1 0 345.380 3.736 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)Oc2ccccc2C(=O)[O-])s1 ZINC001590500118 990114055 /nfs/dbraw/zinc/11/40/55/990114055.db2.gz BQGXCIMYSQWABT-UHFFFAOYSA-N -1 0 340.422 3.512 20 0 EHADRM CC(C)(C)c1ccc(SCC(=O)N2CCCCC[C@H]2C(=O)[O-])cc1 ZINC001590500041 990114143 /nfs/dbraw/zinc/11/41/43/990114143.db2.gz AKPIQCLYSJILFN-INIZCTEOSA-N -1 0 349.496 3.932 20 0 EHADRM CN(C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1c(Cl)cccc1Cl ZINC001598004164 990148369 /nfs/dbraw/zinc/14/83/69/990148369.db2.gz NSTYVQCJIKXANX-VHSXEESVSA-N -1 0 330.211 3.847 20 0 EHADRM CC(C)(C)c1nc(CNc2ccc(Cl)c(C(=O)[O-])c2Cl)no1 ZINC001590541788 990167274 /nfs/dbraw/zinc/16/72/74/990167274.db2.gz IOJFEUPOYNZIID-UHFFFAOYSA-N -1 0 344.198 3.984 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)c3cccc(C(=O)[O-])c3)ccc2[nH]1 ZINC001590545364 990180714 /nfs/dbraw/zinc/18/07/14/990180714.db2.gz FYKDAGSRLHFVDA-UHFFFAOYSA-N -1 0 337.379 3.811 20 0 EHADRM CN(C(=O)Cc1ccccc1C(=O)[O-])[C@@H]1CCC[C@H]1c1ccccc1 ZINC001598036413 990263099 /nfs/dbraw/zinc/26/30/99/990263099.db2.gz HZRHMDWWYCBJIP-PKOBYXMFSA-N -1 0 337.419 3.722 20 0 EHADRM CC(C)(CC(=O)NC(C)(C)CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC001590620844 990298152 /nfs/dbraw/zinc/29/81/52/990298152.db2.gz JBNZXLOMVCWVBX-UHFFFAOYSA-N -1 0 325.836 3.668 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CC2(CCCC2)c2cccc(F)c21 ZINC001590626287 990312895 /nfs/dbraw/zinc/31/28/95/990312895.db2.gz DYZHNORCELXAOG-UHFFFAOYSA-N -1 0 333.403 3.875 20 0 EHADRM CN(C(=O)Nc1ccc(C(=O)[O-])s1)[C@H]1CCCc2ccccc21 ZINC001598057504 990326069 /nfs/dbraw/zinc/32/60/69/990326069.db2.gz ZWLNGDDPCAYEKM-ZDUSSCGKSA-N -1 0 330.409 3.988 20 0 EHADRM CN(C(=O)Nc1ccsc1C(=O)[O-])[C@@H]1CCCc2ccccc21 ZINC001598061314 990333164 /nfs/dbraw/zinc/33/31/64/990333164.db2.gz DZVZTSCHVIKRRT-CQSZACIVSA-N -1 0 330.409 3.988 20 0 EHADRM CC(C)(CC(=O)Oc1cc(Br)cc(C(=O)[O-])c1)C1CC1 ZINC001590649013 990336152 /nfs/dbraw/zinc/33/61/52/990336152.db2.gz OZFJRQXXBDJZSS-UHFFFAOYSA-N -1 0 341.201 3.879 20 0 EHADRM CN(C(=O)Nc1nc(CC(=O)[O-])cs1)c1ccc2ccccc2c1 ZINC001598063086 990339823 /nfs/dbraw/zinc/33/98/23/990339823.db2.gz CRXNDPPXPFCDHN-UHFFFAOYSA-N -1 0 341.392 3.592 20 0 EHADRM CN(C(=O)Nc1nc(C2CCCCC2)cs1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598063890 990344946 /nfs/dbraw/zinc/34/49/46/990344946.db2.gz QWCDJQGVOZRPBT-TXEJJXNPSA-N -1 0 337.445 3.518 20 0 EHADRM CC(C)(CCC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)c1ccccc1 ZINC001590656468 990354891 /nfs/dbraw/zinc/35/48/91/990354891.db2.gz UYLJBURXIUYUTQ-DYESRHJHSA-N -1 0 343.467 3.848 20 0 EHADRM CN(C(=O)[C@H]1C[C@@H]1C1CC1)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598073376 990376361 /nfs/dbraw/zinc/37/63/61/990376361.db2.gz RQHCJUDKNPDCCY-UHIISALHSA-N -1 0 342.222 3.624 20 0 EHADRM CC(C)(CCNC(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1)C(=O)[O-] ZINC001590679980 990392894 /nfs/dbraw/zinc/39/28/94/990392894.db2.gz NNNLKNQCFFQMBH-HZPDHXFCSA-N -1 0 332.444 3.513 20 0 EHADRM CN(C(=O)c1cccc2ccsc21)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598093155 990438427 /nfs/dbraw/zinc/43/84/27/990438427.db2.gz HCNSHCSPPBQZNP-OAHLLOKOSA-N -1 0 325.389 3.799 20 0 EHADRM CC(C)(CNC(=O)N(CCc1ccccc1)C1CCCC1)CC(=O)[O-] ZINC001590713532 990469187 /nfs/dbraw/zinc/46/91/87/990469187.db2.gz NEQKQYHIJQCPQB-UHFFFAOYSA-N -1 0 346.471 3.684 20 0 EHADRM CC(C)(CNC(=O)N1CCc2c(cccc2C(=O)[O-])C1)C1CCCC1 ZINC001590718412 990492566 /nfs/dbraw/zinc/49/25/66/990492566.db2.gz XDRINRCHGNRRSF-UHFFFAOYSA-N -1 0 344.455 3.669 20 0 EHADRM CC(C)(CNC(=O)Nc1cc(C(=O)[O-])ccc1F)CC(F)(F)F ZINC001590726992 990524001 /nfs/dbraw/zinc/52/40/01/990524001.db2.gz ONCILLFPHSIMIL-UHFFFAOYSA-N -1 0 336.285 3.624 20 0 EHADRM CC(C)(CNC(=O)c1ccccc1Cc1ccccc1)CC(=O)[O-] ZINC001590757376 990556639 /nfs/dbraw/zinc/55/66/39/990556639.db2.gz QKYPTFSOUQMZET-UHFFFAOYSA-N -1 0 325.408 3.508 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)Nc1cccc(C(=O)[O-])c1N ZINC001590821784 990658834 /nfs/dbraw/zinc/65/88/34/990658834.db2.gz ARVMHOLKHIGSTC-UHFFFAOYSA-N -1 0 346.814 3.828 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)OCc1ccc(C(=O)[O-])cn1 ZINC001590822143 990663463 /nfs/dbraw/zinc/66/34/63/990663463.db2.gz WQUDDRKUWIQFJA-UHFFFAOYSA-N -1 0 347.798 3.745 20 0 EHADRM CN(C)[C@@H](C(=O)Nc1ccc(C(=O)[O-])c2ccccc12)c1ccccc1 ZINC001598165146 990679172 /nfs/dbraw/zinc/67/91/72/990679172.db2.gz LXMBFDDMLWQWHS-LJQANCHMSA-N -1 0 348.402 3.779 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cccc(OC(F)(F)F)c2)CCCC1 ZINC000073893911 1015581423 /nfs/dbraw/zinc/58/14/23/1015581423.db2.gz IRMNTPRQUBEVBJ-UHFFFAOYSA-N -1 0 331.290 3.559 20 0 EHADRM CC(C)(C)C(=O)N[N-]C(=O)c1sc2cc(F)ccc2c1Cl ZINC000073920848 1015584758 /nfs/dbraw/zinc/58/47/58/1015584758.db2.gz KOXKFGLBSXZBCY-UHFFFAOYSA-N -1 0 328.796 3.501 20 0 EHADRM CC(C)(c1noc(C23CCC(C(=O)[O-])(CC2)C3)n1)c1cccc(F)c1 ZINC001590909456 990879805 /nfs/dbraw/zinc/87/98/05/990879805.db2.gz WWQBHYCPPCNWEO-UHFFFAOYSA-N -1 0 344.386 3.821 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)C1(C)C ZINC001590915572 990904451 /nfs/dbraw/zinc/90/44/51/990904451.db2.gz XDTSFHLSKYDFQI-MNOVXSKESA-N -1 0 334.441 3.896 20 0 EHADRM CC(C)=CCOc1cccc(CC(=O)Nc2sccc2C(=O)[O-])c1 ZINC001590926868 990927351 /nfs/dbraw/zinc/92/73/51/990927351.db2.gz JGRYZRSUVMDLNN-UHFFFAOYSA-N -1 0 345.420 3.973 20 0 EHADRM COc1cccc2[nH]c(-c3nc(-c4cccc(C(=O)[O-])c4)no3)cc21 ZINC001599688410 991026058 /nfs/dbraw/zinc/02/60/58/991026058.db2.gz LIYFEUGQFKMWBU-UHFFFAOYSA-N -1 0 335.319 3.592 20 0 EHADRM COc1cccc2c(C(=O)Nc3scc(C(=O)[O-])c3C)coc21 ZINC001599689068 991035584 /nfs/dbraw/zinc/03/55/84/991035584.db2.gz BCVPZMCSYJRLDI-UHFFFAOYSA-N -1 0 331.349 3.762 20 0 EHADRM COc1cccc2c1[C@H](C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1)CC2 ZINC001599689392 991042624 /nfs/dbraw/zinc/04/26/24/991042624.db2.gz GUZZCCBYPXRTOA-CYBMUJFWSA-N -1 0 346.766 3.682 20 0 EHADRM CC(C)[C@@H](C(=O)OCC(=O)c1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001590961410 991057714 /nfs/dbraw/zinc/05/77/14/991057714.db2.gz QDFPLKJNBFFFIH-GOSISDBHSA-N -1 0 340.375 3.551 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001590967633 991082490 /nfs/dbraw/zinc/08/24/90/991082490.db2.gz CAXMGPFCRJOOCV-IBGZPJMESA-N -1 0 328.412 3.567 20 0 EHADRM COc1cccc2cc(CN[C@@H](C(=O)[O-])c3ccccc3C)oc21 ZINC001599692066 991086260 /nfs/dbraw/zinc/08/62/60/991086260.db2.gz IVTZQLAVQKXMEK-QGZVFWFLSA-N -1 0 325.364 3.665 20 0 EHADRM COc1cccc2cc(C(=O)O[C@@H](C)c3cc(C(=O)[O-])co3)oc21 ZINC001599693224 991104282 /nfs/dbraw/zinc/10/42/82/991104282.db2.gz QYGCMHOSAQKTER-VIFPVBQESA-N -1 0 330.292 3.651 20 0 EHADRM CC(C)[C@H](CCc1ccccc1)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001590980518 991132430 /nfs/dbraw/zinc/13/24/30/991132430.db2.gz GTVFEEKADMWEEW-KRWDZBQOSA-N -1 0 326.396 3.623 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)OCc1cc(C(=O)[O-])ccc1C ZINC001599696762 991160026 /nfs/dbraw/zinc/16/00/26/991160026.db2.gz AUJBKLPEHONVGH-GXDHUFHOSA-N -1 0 340.375 3.849 20 0 EHADRM CN(C)c1c(CNc2cccc(CCC(=O)[O-])c2)ccc(F)c1F ZINC001598283576 991175162 /nfs/dbraw/zinc/17/51/62/991175162.db2.gz KPYIGCAIFOXIEB-UHFFFAOYSA-N -1 0 334.366 3.660 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)[C@H]1CCCc2ccccc21 ZINC001598292899 991206784 /nfs/dbraw/zinc/20/67/84/991206784.db2.gz JPOVINMPDRPEMH-INIZCTEOSA-N -1 0 338.407 3.509 20 0 EHADRM COc1ccccc1[C@@H]1CC[C@H](C)CN1Cc1nc(C(=O)[O-])cs1 ZINC001599704291 991270057 /nfs/dbraw/zinc/27/00/57/991270057.db2.gz PHHXXUDQKWTRPF-WFASDCNBSA-N -1 0 346.452 3.823 20 0 EHADRM CC(C)[C@@H](SCC(C)(C)C(=O)[O-])C(=O)Nc1ccccc1F ZINC001591052377 991459356 /nfs/dbraw/zinc/45/93/56/991459356.db2.gz QAKLVSKODPLPLF-CYBMUJFWSA-N -1 0 327.421 3.633 20 0 EHADRM CC(C)[C@@H]1C[C@H](C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)CCO1 ZINC001591071525 991529062 /nfs/dbraw/zinc/52/90/62/991529062.db2.gz CHETUFIYXALXIJ-SKDRFNHKSA-N -1 0 343.782 3.567 20 0 EHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)CC1 ZINC001591081859 991594435 /nfs/dbraw/zinc/59/44/35/991594435.db2.gz LYADCKGYIHRJFK-OLMMMNRUSA-N -1 0 336.476 3.630 20 0 EHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC001591081840 991595071 /nfs/dbraw/zinc/59/50/71/991595071.db2.gz LKHIZLKYFXPYFA-HVSHLEFESA-N -1 0 343.467 3.966 20 0 EHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)C1 ZINC001591082239 991597442 /nfs/dbraw/zinc/59/74/42/991597442.db2.gz RHBZUDLYYFPUQM-KDOFPFPSSA-N -1 0 344.455 3.667 20 0 EHADRM CC(C)[C@@H]1CCCCCN1C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001591088155 991619106 /nfs/dbraw/zinc/61/91/06/991619106.db2.gz DADNDJVIRDUXSF-HNNXBMFYSA-N -1 0 344.415 3.694 20 0 EHADRM CC(C)[C@@H]1CCc2ccccc2N1C(=O)Cc1cccc(C(=O)[O-])c1 ZINC001591094027 991666768 /nfs/dbraw/zinc/66/67/68/991666768.db2.gz FGEFLLYRXVLOPE-SFHVURJKSA-N -1 0 337.419 3.931 20 0 EHADRM COc1nc(C(=O)Nc2scc(C(=O)[O-])c2C)cc2ccccc21 ZINC001599730132 991697905 /nfs/dbraw/zinc/69/79/05/991697905.db2.gz LCGJFKYIYRYPDI-UHFFFAOYSA-N -1 0 342.376 3.564 20 0 EHADRM CC(C)[C@H]1N(C(=O)CCc2ccc(C(=O)[O-])cc2)CC12CC=CC2 ZINC001591099049 991707482 /nfs/dbraw/zinc/70/74/82/991707482.db2.gz JUCWPWYHNKSAIA-GOSISDBHSA-N -1 0 327.424 3.521 20 0 EHADRM CN(CCC1CCCCC1)C(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001598471867 992037848 /nfs/dbraw/zinc/03/78/48/992037848.db2.gz FNVZZAQLAHTEEZ-FXAWDEMLSA-N -1 0 329.440 3.674 20 0 EHADRM CC(C)CCCC(=O)N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001591228089 992102995 /nfs/dbraw/zinc/10/29/95/992102995.db2.gz ODDUBDHSKGNIRF-CQSZACIVSA-N -1 0 331.334 3.774 20 0 EHADRM CC(C)CCC[C@H](C)NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC001591229442 992112321 /nfs/dbraw/zinc/11/23/21/992112321.db2.gz QWMMHLOUTRHQFQ-NSHDSACASA-N -1 0 347.864 3.531 20 0 EHADRM CC(C)CCOC(=O)N[C@@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001591252062 992150752 /nfs/dbraw/zinc/15/07/52/992150752.db2.gz SJOVMRCQXHRQBP-WBVHZDCISA-N -1 0 333.428 3.722 20 0 EHADRM CC(C)CCO[C@H](C)C(=O)N(c1ccccc1C(=O)[O-])C1CCC1 ZINC001591252418 992152814 /nfs/dbraw/zinc/15/28/14/992152814.db2.gz ZGDUUPSETMMDRS-CQSZACIVSA-N -1 0 333.428 3.722 20 0 EHADRM CC(C)CCOc1ccccc1CNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001591266053 992176171 /nfs/dbraw/zinc/17/61/71/992176171.db2.gz MVUCKYARNGAICU-DLBZAZTESA-N -1 0 347.455 3.619 20 0 EHADRM CC(C)CN(C(=O)Cc1ccc(C(=O)[O-])nc1)c1ccc(Cl)cc1 ZINC001591280378 992208590 /nfs/dbraw/zinc/20/85/90/992208590.db2.gz HZJYJWUNALBVTN-UHFFFAOYSA-N -1 0 346.814 3.665 20 0 EHADRM CC(C)CN(C(=O)[C@@H]1CCSc2ccccc21)C(C)(C)C(=O)[O-] ZINC001591281595 992216565 /nfs/dbraw/zinc/21/65/65/992216565.db2.gz UMBCRGPZKUABAY-CQSZACIVSA-N -1 0 335.469 3.614 20 0 EHADRM CC(C)CN(C(=O)c1ccc(C(F)(F)F)cc1)C(C)(C)C(=O)[O-] ZINC001591285541 992225211 /nfs/dbraw/zinc/22/52/11/992225211.db2.gz WPXQXVSACRFFTF-UHFFFAOYSA-N -1 0 331.334 3.667 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C12CC3CC(CC(C3)C1)C2 ZINC001591310368 992272490 /nfs/dbraw/zinc/27/24/90/992272490.db2.gz VUVHUFJCAFDMLO-UHFFFAOYSA-N -1 0 335.488 3.798 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1cc(F)cc2ccoc21 ZINC001591313271 992275739 /nfs/dbraw/zinc/27/57/39/992275739.db2.gz RSSMYLQTPCYBLH-UHFFFAOYSA-N -1 0 335.375 3.781 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)CCCc1ccc(C2CC2)cc1 ZINC001591323789 992297694 /nfs/dbraw/zinc/29/76/94/992297694.db2.gz VFCHMHCCKCEUMT-UHFFFAOYSA-N -1 0 331.456 3.846 20 0 EHADRM CS(C)(=O)=Nc1cccc(NCc2[nH]cc(C(=O)[O-])c2C2CC2)c1 ZINC001599778951 992341375 /nfs/dbraw/zinc/34/13/75/992341375.db2.gz CQXZCZJGRFRFGG-UHFFFAOYSA-N -1 0 347.440 3.562 20 0 EHADRM C[S@](=O)c1ccc(N[C@@H]2CCC[C@H](CCCC(=O)[O-])C2)cc1F ZINC001599780749 992360305 /nfs/dbraw/zinc/36/03/05/992360305.db2.gz VCFWSQMSDIJADF-RFIQDPTOSA-N -1 0 341.448 3.789 20 0 EHADRM CN(CCOc1ccccc1F)Cc1cc(C(=O)[O-])ccc1Cl ZINC001598499072 992405246 /nfs/dbraw/zinc/40/52/46/992405246.db2.gz GHUDZTFWRYEWEH-UHFFFAOYSA-N -1 0 337.778 3.688 20 0 EHADRM CN(CCc1ccccc1F)c1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001598501740 992444331 /nfs/dbraw/zinc/44/43/31/992444331.db2.gz COQKQGURWVGASL-UHFFFAOYSA-N -1 0 342.292 3.617 20 0 EHADRM Cc1ccc(Cc2n[n-]c(=NC(=O)N3CCC[C@H](C)[C@@H]3C)s2)cc1 ZINC000510140564 1015709057 /nfs/dbraw/zinc/70/90/57/1015709057.db2.gz SNDXPTIOEIJAMR-KBPBESRZSA-N -1 0 344.484 3.512 20 0 EHADRM CN(Cc1c(F)cccc1Cl)C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001598506213 992507264 /nfs/dbraw/zinc/50/72/64/992507264.db2.gz ZQEGYRHWWRRTOB-UHFFFAOYSA-N -1 0 339.725 3.589 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)NCCC1=CCCCCC1 ZINC001598511160 992568760 /nfs/dbraw/zinc/56/87/60/992568760.db2.gz GFRIOAUGFWVCAY-UHFFFAOYSA-N -1 0 330.428 3.807 20 0 EHADRM CC(C)Cc1c[nH]c(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)c1 ZINC001591475684 992590249 /nfs/dbraw/zinc/59/02/49/992590249.db2.gz CCWBFWOODDEDSU-UHFFFAOYSA-N -1 0 344.411 3.951 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)cc1 ZINC001591483280 992601134 /nfs/dbraw/zinc/60/11/34/992601134.db2.gz DRXKBHQFVGFAHH-RXVVDRJESA-N -1 0 343.467 3.531 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)Nc2ccc(C(=O)[O-])nc2)c1 ZINC001591488274 992616047 /nfs/dbraw/zinc/61/60/47/992616047.db2.gz FBCXYLHTEBNMBF-ZDUSSCGKSA-N -1 0 326.396 3.721 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)OCc2cccc(C(=O)[O-])n2)cc1 ZINC001591488608 992617089 /nfs/dbraw/zinc/61/70/89/992617089.db2.gz HCELKQIGXOSGJD-AWEZNQCLSA-N -1 0 341.407 3.825 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)N[C@H](C(=O)[O-])c2cccs2)cc1 ZINC001591488958 992618043 /nfs/dbraw/zinc/61/80/43/992618043.db2.gz LLCAIOROMSRUQK-GUYCJALGSA-N -1 0 345.464 3.992 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)N(C)C2(C(=O)[O-])CCCC2)c1 ZINC001591489553 992620617 /nfs/dbraw/zinc/62/06/17/992620617.db2.gz VSXSIFIBPABMCV-HNNXBMFYSA-N -1 0 331.456 3.844 20 0 EHADRM CC(C)Cc1ccccc1CNC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001591491110 992628313 /nfs/dbraw/zinc/62/83/13/992628313.db2.gz ZQTZKBXTPDAMBC-UHFFFAOYSA-N -1 0 329.371 3.652 20 0 EHADRM CC(C)Cc1ncc(C(=O)Oc2ccc(C(=O)[O-])cc2Cl)s1 ZINC001591496650 992628884 /nfs/dbraw/zinc/62/88/84/992628884.db2.gz HTZPKHXWOKJKRU-UHFFFAOYSA-N -1 0 339.800 3.912 20 0 EHADRM CC(C)Cc1ncc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)s1 ZINC001591496624 992629070 /nfs/dbraw/zinc/62/90/70/992629070.db2.gz FLMFOKFZKOOLOK-UHFFFAOYSA-N -1 0 338.816 3.946 20 0 EHADRM CC(C)Cc1nc(C(=O)Oc2ccc(C(=O)[O-])cc2Cl)cs1 ZINC001591496647 992629132 /nfs/dbraw/zinc/62/91/32/992629132.db2.gz HOIFAMCMVCLBJV-UHFFFAOYSA-N -1 0 339.800 3.912 20 0 EHADRM CC(C)Cn1ccc2c1cccc2C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-] ZINC001591521817 992694131 /nfs/dbraw/zinc/69/41/31/992694131.db2.gz VPYXPTSHHQXJAR-INIZCTEOSA-N -1 0 344.455 3.917 20 0 EHADRM CN(Cc1ccc(OCC(=O)[O-])cc1)Cc1cc(Cl)ccc1F ZINC001598524137 992697964 /nfs/dbraw/zinc/69/79/64/992697964.db2.gz ZCUITDNPAYYWRW-UHFFFAOYSA-N -1 0 337.778 3.575 20 0 EHADRM CC(C)N(C)c1ccc(NC(=O)c2ccc(/C=C\C(=O)[O-])o2)cc1F ZINC001591560674 992757331 /nfs/dbraw/zinc/75/73/31/992757331.db2.gz BQFWJXUXJDEJDO-TWGQIWQCSA-N -1 0 346.358 3.613 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)[C@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC001591575645 992787512 /nfs/dbraw/zinc/78/75/12/992787512.db2.gz LFGMMMYGLXJKHD-OCCSQVGLSA-N -1 0 341.810 3.684 20 0 EHADRM CN(Cc1csc2ccccc12)C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001598535869 992839195 /nfs/dbraw/zinc/83/91/95/992839195.db2.gz BMMXIUZTYUGGFK-VOTSOKGWSA-N -1 0 341.388 3.864 20 0 EHADRM CN(Cc1csc(C(=O)[O-])c1)c1ccc(C(=O)NC(C)(C)C)cc1 ZINC001598536407 992843844 /nfs/dbraw/zinc/84/38/44/992843844.db2.gz UDCNOZBFBSGXEX-UHFFFAOYSA-N -1 0 346.452 3.611 20 0 EHADRM CN(c1ccccc1)c1ccc(C(=O)Oc2ccc(C(=O)[O-])cc2)cn1 ZINC001598545058 992935863 /nfs/dbraw/zinc/93/58/63/992935863.db2.gz NYBNVVVBILZLLT-UHFFFAOYSA-N -1 0 348.358 3.767 20 0 EHADRM CCN(C(=O)Nc1ccc(Cc2nc(C(=O)[O-])cs2)cc1)C(C)C ZINC000275017374 1015747083 /nfs/dbraw/zinc/74/70/83/1015747083.db2.gz OEHLYJOYZBXBHE-UHFFFAOYSA-N -1 0 347.440 3.694 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@@](C)(C(=O)[O-])C1)c1cccc(C2CC2)c1 ZINC001593064341 993598490 /nfs/dbraw/zinc/59/84/90/993598490.db2.gz SNBBKRAYAFNMAE-ORAYPTAESA-N -1 0 330.428 3.521 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)n[nH]1 ZINC000134793359 1015795263 /nfs/dbraw/zinc/79/52/63/1015795263.db2.gz VYRZENWFUGQEPB-UHFFFAOYSA-N -1 0 348.255 3.815 20 0 EHADRM COc1ccc(NC(=O)c2ccccc2CCC(=O)[O-])cc1Cl ZINC001599595796 993748071 /nfs/dbraw/zinc/74/80/71/993748071.db2.gz NCAXQOJDJJKJDS-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM C[C@H](NC(=O)Nc1cc(Cl)ccc1F)c1ncc(C(=O)[O-])s1 ZINC001593113367 993791441 /nfs/dbraw/zinc/79/14/41/993791441.db2.gz VVPJIKMVTYFPFM-LURJTMIESA-N -1 0 343.767 3.517 20 0 EHADRM COc1ccc(OC(=O)/C=C\c2cc(C(=O)[O-])co2)c2ccccc12 ZINC001599599414 993792951 /nfs/dbraw/zinc/79/29/51/993792951.db2.gz GPRWXCKUJVXCBO-TWGQIWQCSA-N -1 0 338.315 3.758 20 0 EHADRM COc1ccc(OCc2cc(C(=O)[O-])c(C)o2)c(C(F)(F)F)c1 ZINC001599606408 993891386 /nfs/dbraw/zinc/89/13/86/993891386.db2.gz CDOGMSRYHQTXGQ-UHFFFAOYSA-N -1 0 330.258 3.893 20 0 EHADRM C[C@H](NC(=O)c1cc(C(=O)[O-])co1)c1ccc(F)c2ccccc21 ZINC001593148976 993950754 /nfs/dbraw/zinc/95/07/54/993950754.db2.gz AJSGTVWLROUCKE-JTQLQIEISA-N -1 0 327.311 3.761 20 0 EHADRM COc1ccc(S[C@@H](C)C(=O)Oc2cc(C(=O)[O-])ccc2C)cc1 ZINC001599618131 994044724 /nfs/dbraw/zinc/04/47/24/994044724.db2.gz BRCQEXJOUHMWJL-LBPRGKRZSA-N -1 0 346.404 3.788 20 0 EHADRM C[C@@H](NC(=O)c1ccccc1-c1ccccc1C(=O)[O-])c1ccc[nH]1 ZINC001593176148 994052471 /nfs/dbraw/zinc/05/24/71/994052471.db2.gz MHLFZXLIRYKSIA-CYBMUJFWSA-N -1 0 334.375 3.871 20 0 EHADRM COc1ccc([C@H](C)NC(=O)c2cc(C)cc(C(=O)[O-])c2)cc1C ZINC001599620230 994070493 /nfs/dbraw/zinc/07/04/93/994070493.db2.gz BORNBKGHBISXOA-ZDUSSCGKSA-N -1 0 327.380 3.501 20 0 EHADRM C[C@H](NC(=O)c1ccsc1C(=O)[O-])c1ccccc1OC(F)F ZINC001593183323 994075753 /nfs/dbraw/zinc/07/57/53/994075753.db2.gz AIVUMBWCSSYCGK-QMMMGPOBSA-N -1 0 341.335 3.539 20 0 EHADRM COc1ccc2c(c1)[C@H](C(=O)Oc1ccc(C(=O)[O-])cc1Cl)CC2 ZINC001599625077 994136772 /nfs/dbraw/zinc/13/67/72/994136772.db2.gz NTHZXDSSGPAUMI-CYBMUJFWSA-N -1 0 346.766 3.682 20 0 EHADRM COc1ccc2c(c1)C[C@H](C(C)C)CN2C(=O)CC(C)(C)CC(=O)[O-] ZINC001599625797 994146700 /nfs/dbraw/zinc/14/67/00/994146700.db2.gz MWJALWCWRZEUHS-HNNXBMFYSA-N -1 0 347.455 3.748 20 0 EHADRM COc1ccc2c(c1)CC[C@@H](C(=O)Nc1cc(C)c(C(=O)[O-])s1)C2 ZINC001599625935 994148861 /nfs/dbraw/zinc/14/88/61/994148861.db2.gz FLDUATJNQNXAQB-CYBMUJFWSA-N -1 0 345.420 3.507 20 0 EHADRM C[C@@H](N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccc2c(c1)CCCO2 ZINC001593204558 994204257 /nfs/dbraw/zinc/20/42/57/994204257.db2.gz UCUQUHPSGLZJNK-MNOVXSKESA-N -1 0 332.425 3.578 20 0 EHADRM COc1ccc2cc(C(=O)N3[C@@H](C)CC(C(=O)[O-])C[C@@H]3C)sc2c1 ZINC001599633433 994252531 /nfs/dbraw/zinc/25/25/31/994252531.db2.gz JPRHNTJPDKNBLI-QWRGUYRKSA-N -1 0 347.436 3.624 20 0 EHADRM C[C@@H](N[C@@H](Cc1ccccc1)c1ncco1)c1ccc(C(=O)[O-])o1 ZINC001593211040 994259603 /nfs/dbraw/zinc/25/96/03/994259603.db2.gz UVUWUQLYSDIYAV-OCCSQVGLSA-N -1 0 326.352 3.600 20 0 EHADRM COc1ccc2ccccc2c1CN[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001599634736 994270323 /nfs/dbraw/zinc/27/03/23/994270323.db2.gz DICQDDKJJXDFCR-NSHDSACASA-N -1 0 342.420 3.854 20 0 EHADRM COc1ccc2ccc(OC(=O)/C=C/c3ccc(C(=O)[O-])o3)cc2c1 ZINC001599635730 994285855 /nfs/dbraw/zinc/28/58/55/994285855.db2.gz FISGLCQWJKLHTR-VQHVLOKHSA-N -1 0 338.315 3.758 20 0 EHADRM COc1ccc2cc([C@@H](C)OC(=O)c3c[nH]c(C(=O)[O-])c3)ccc2c1 ZINC001599635871 994288081 /nfs/dbraw/zinc/28/80/81/994288081.db2.gz UKORIPBFWSPOEG-LLVKDONJSA-N -1 0 339.347 3.793 20 0 EHADRM COc1ccc2nc(C)c(C(=O)Nc3ccsc3C(=O)[O-])cc2c1 ZINC001599637195 994306095 /nfs/dbraw/zinc/30/60/95/994306095.db2.gz ZTILDOCZQFWYMX-UHFFFAOYSA-N -1 0 342.376 3.564 20 0 EHADRM COc1ccc2occ(C(=O)NCC3(CC(=O)[O-])CCCCC3)c2c1 ZINC001599637302 994307344 /nfs/dbraw/zinc/30/73/44/994307344.db2.gz GWRPZSFZBMDZBP-UHFFFAOYSA-N -1 0 345.395 3.596 20 0 EHADRM COc1ccc2oc([C@H](C)NCc3ncc(C(=O)[O-])s3)c(C)c2c1 ZINC001599638050 994318220 /nfs/dbraw/zinc/31/82/20/994318220.db2.gz UHXQQXPPHQTYMS-JTQLQIEISA-N -1 0 346.408 3.755 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1ccc(CC(C)C)cc1 ZINC001599643578 994392363 /nfs/dbraw/zinc/39/23/63/994392363.db2.gz JTYHMPPXQFTHMG-UHFFFAOYSA-N -1 0 328.364 3.811 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1 ZINC001599643609 994392631 /nfs/dbraw/zinc/39/26/31/994392631.db2.gz LJXBGSMYRIPROQ-JKSUJKDBSA-N -1 0 340.375 3.719 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)C[C@H](C)c1ccccc1 ZINC001599646177 994427878 /nfs/dbraw/zinc/42/78/78/994427878.db2.gz RBFSABKSSPRPAR-ZDUSSCGKSA-N -1 0 327.380 3.550 20 0 EHADRM COc1cccc([C@H](C(=O)[O-])N(C)Cc2cc(OC)ccc2Cl)c1 ZINC001599649833 994480378 /nfs/dbraw/zinc/48/03/78/994480378.db2.gz IITQMXISLHCRCO-QGZVFWFLSA-N -1 0 349.814 3.615 20 0 EHADRM COc1cccc(C(C)(C)C(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001599650085 994484587 /nfs/dbraw/zinc/48/45/87/994484587.db2.gz UKCWPBALEJPZPI-UHFFFAOYSA-N -1 0 348.782 3.930 20 0 EHADRM COc1cccc([C@H](C)N[C@@H](C(=O)[O-])c2c(F)cccc2Cl)c1 ZINC001599656563 994590128 /nfs/dbraw/zinc/59/01/28/994590128.db2.gz GGIFADKIPKLEHZ-MGPLVRAMSA-N -1 0 337.778 3.964 20 0 EHADRM COc1cccc(C(F)(F)c2nc(-c3cccc(C(=O)[O-])c3)no2)c1 ZINC001599657217 994601083 /nfs/dbraw/zinc/60/10/83/994601083.db2.gz JRWXNDRBECUNRZ-UHFFFAOYSA-N -1 0 346.289 3.584 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCc2c1cccc2Cl ZINC000180153394 1015876606 /nfs/dbraw/zinc/87/66/06/1015876606.db2.gz VCRFSBBNSXEIPV-UHFFFAOYSA-N -1 0 327.689 3.666 20 0 EHADRM C[C@H](NCc1cc(C(=O)[O-])ccc1Cl)c1cnn(CC2CCC2)c1 ZINC001593288525 994658228 /nfs/dbraw/zinc/65/82/28/994658228.db2.gz LCOPGFIPRQUVKH-LBPRGKRZSA-N -1 0 347.846 3.886 20 0 EHADRM C[C@H](NCc1cc(F)ccc1OC(F)F)c1cc(C(=O)[O-])co1 ZINC001593293281 994682974 /nfs/dbraw/zinc/68/29/74/994682974.db2.gz SZHKJFHHNJTSKB-QMMMGPOBSA-N -1 0 329.274 3.569 20 0 EHADRM C[C@](NCc1ccc(-c2ncco2)cc1F)(C(=O)[O-])c1ccccc1 ZINC001593293933 994688250 /nfs/dbraw/zinc/68/82/50/994688250.db2.gz ZMZKKQUPUOGJNO-LJQANCHMSA-N -1 0 340.354 3.570 20 0 EHADRM C[C@@H](NCc1ccc(/C=C\C(=O)[O-])o1)c1nc(C(F)(F)F)cs1 ZINC001593296849 994699684 /nfs/dbraw/zinc/69/96/84/994699684.db2.gz QUZHMXFRABZQCK-PULIVWKDSA-N -1 0 346.330 3.704 20 0 EHADRM COc1cccc(C[C@@H](C)CC(=O)Nc2sc(C)cc2C(=O)[O-])c1 ZINC001599665886 994729324 /nfs/dbraw/zinc/72/93/24/994729324.db2.gz LVLSWWDFORCULR-LLVKDONJSA-N -1 0 347.436 3.971 20 0 EHADRM COc1cccc(C[C@H](C)CC(=O)Nc2scc(C)c2C(=O)[O-])c1 ZINC001599667279 994750183 /nfs/dbraw/zinc/75/01/83/994750183.db2.gz YORXWRKUNLPUPG-NSHDSACASA-N -1 0 347.436 3.971 20 0 EHADRM C[C@@H](NCc1ccsc1C(=O)[O-])c1ncc(-c2ccccc2)o1 ZINC001593309984 994769123 /nfs/dbraw/zinc/76/91/23/994769123.db2.gz DNNOIHDCDVBQMX-LLVKDONJSA-N -1 0 328.393 3.952 20 0 EHADRM C[C@H](NCc1cnc(C(=O)[O-])cn1)c1ccc(Oc2ccccc2)cc1 ZINC001593310497 994774331 /nfs/dbraw/zinc/77/43/31/994774331.db2.gz JGONGOHLAYFNQA-AWEZNQCLSA-N -1 0 349.390 3.818 20 0 EHADRM C[C@@H](NCc1nc2cc(C(=O)[O-])ccc2[nH]1)c1c(F)cccc1Cl ZINC001593311577 994785103 /nfs/dbraw/zinc/78/51/03/994785103.db2.gz IXVRLBXYTOQYEJ-SECBINFHSA-N -1 0 347.777 3.904 20 0 EHADRM COc1cccc(CCCN2CC[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC001599671849 994826791 /nfs/dbraw/zinc/82/67/91/994826791.db2.gz JMWNSSXRXDCMSV-GOSISDBHSA-N -1 0 325.408 3.706 20 0 EHADRM CNc1ccc(C(=O)O[C@@H](C(=O)[O-])c2c(F)cccc2Cl)cc1 ZINC001598679196 994898851 /nfs/dbraw/zinc/89/88/51/994898851.db2.gz UMWDFMJKXXUFSE-CQSZACIVSA-N -1 0 337.734 3.504 20 0 EHADRM C[C@H](Nc1cc(C(=O)[O-])ncn1)c1cccc(SC(F)(F)F)c1 ZINC001593360505 995023072 /nfs/dbraw/zinc/02/30/72/995023072.db2.gz SGAXJQZFEJWQMJ-QMMMGPOBSA-N -1 0 343.330 3.960 20 0 EHADRM C[C@H](Nc1ccc2c(c1)nc(C1CC1)n2C)c1ncc(C(=O)[O-])s1 ZINC001593365927 995046649 /nfs/dbraw/zinc/04/66/49/995046649.db2.gz OWSWGGUSYDSWRQ-VIFPVBQESA-N -1 0 342.424 3.779 20 0 EHADRM C[C@@H](Nc1cnc(C(=O)[O-])cn1)[C@H](C)c1ccccc1C(F)(F)F ZINC001593368408 995063621 /nfs/dbraw/zinc/06/36/21/995063621.db2.gz XTVNMPLKUUCGJA-VHSXEESVSA-N -1 0 339.317 3.798 20 0 EHADRM Cc1sc(/C=C/c2cc(O)ccc2Br)nc1C(=O)[O-] ZINC000352035947 1015919524 /nfs/dbraw/zinc/91/95/24/1015919524.db2.gz VIDSTEWZCWMIOE-GORDUTHDSA-N -1 0 340.198 3.788 20 0 EHADRM CC(C)(C)C1CCC(CC(=O)Nc2nc(CC(=O)[O-])cs2)CC1 ZINC000683295038 1015920895 /nfs/dbraw/zinc/92/08/95/1015920895.db2.gz MYGGXZXRQIYHAO-UHFFFAOYSA-N -1 0 338.473 3.951 20 0 EHADRM COC(=O)[C@H](SC[C@@H]1CC1(Cl)Cl)c1cccc(C(=O)[O-])c1 ZINC001598710937 995348247 /nfs/dbraw/zinc/34/82/47/995348247.db2.gz HTNKUXCQJQAWET-WDEREUQCSA-N -1 0 349.235 3.526 20 0 EHADRM COC(=O)[C@@H](S[C@H](C)CC(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001598711736 995357756 /nfs/dbraw/zinc/35/77/56/995357756.db2.gz LGLJKFMDDWPULK-KRTXAFLBSA-N -1 0 337.224 3.804 20 0 EHADRM C[C@@H](OC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1csc(C2CC2)n1 ZINC001593513596 995524595 /nfs/dbraw/zinc/52/45/95/995524595.db2.gz FXBAYRAHIITEDJ-WILPJHFFSA-N -1 0 333.365 3.629 20 0 EHADRM C[C@H](OC(=O)CC(C)(C)CC(=O)[O-])c1ccc(Br)cc1 ZINC001593514831 995535025 /nfs/dbraw/zinc/53/50/25/995535025.db2.gz KNRXTGDPYPQJAF-JTQLQIEISA-N -1 0 343.217 3.944 20 0 EHADRM C[C@H](OC(=O)CCCCC(=O)[O-])c1nc2ccccc2n1C(F)F ZINC001593514992 995535768 /nfs/dbraw/zinc/53/57/68/995535768.db2.gz KSQSULVRKQVUIW-JTQLQIEISA-N -1 0 340.326 3.681 20 0 EHADRM C[C@@H](OC(=O)[C@H]1SCCc2ccccc21)c1cc(C(=O)[O-])co1 ZINC001593515798 995541816 /nfs/dbraw/zinc/54/18/16/995541816.db2.gz PDNMMYBMBNBFFP-BMIGLBTASA-N -1 0 332.377 3.613 20 0 EHADRM C[C@@H](OC(=O)CCc1ocnc1C(=O)[O-])c1ccc2ccccc2c1 ZINC001593528678 995578564 /nfs/dbraw/zinc/57/85/64/995578564.db2.gz ZKTXZDFVLUXECH-GFCCVEGCSA-N -1 0 339.347 3.763 20 0 EHADRM C[C@H](OC(=O)c1cc(F)cc2ccncc21)c1cc(C(=O)[O-])co1 ZINC001593565358 995659505 /nfs/dbraw/zinc/65/95/05/995659505.db2.gz POMZBYQDSZMFAA-VIFPVBQESA-N -1 0 329.283 3.583 20 0 EHADRM C[C@@H](OC(=O)c1ccsc1CC(=O)[O-])c1ncc(C(C)(C)C)o1 ZINC001593597567 995740045 /nfs/dbraw/zinc/74/00/45/995740045.db2.gz LFZBRDBJNFXZRR-SECBINFHSA-N -1 0 337.397 3.579 20 0 EHADRM C[C@@H](OC(=O)c1sccc1Br)c1cc(C(=O)[O-])co1 ZINC001593601148 995755684 /nfs/dbraw/zinc/75/56/84/995755684.db2.gz HYCPWUHWTPYAHR-ZCFIWIBFSA-N -1 0 345.170 3.720 20 0 EHADRM C[C@@H](OC1CCCCC1)C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001593602433 995763387 /nfs/dbraw/zinc/76/33/87/995763387.db2.gz FHARULULCXKMLL-SNVBAGLBSA-N -1 0 326.776 3.681 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)[C@H]1CCCc2sccc21)c1cccs1 ZINC000683299473 1015974137 /nfs/dbraw/zinc/97/41/37/1015974137.db2.gz YJELZEOMHSGHLR-NWDGAFQWSA-N -1 0 335.450 3.562 20 0 EHADRM CCC(CC)(NC(=O)Nc1cccc(CCC(F)(F)F)c1)C(=O)[O-] ZINC000584329336 1032134038 /nfs/dbraw/zinc/13/40/38/1032134038.db2.gz ZKHJYBSXDPBVBH-UHFFFAOYSA-N -1 0 346.349 3.946 20 0 EHADRM C[C@@H](Oc1ccc(CN2CCc3ccc(Cl)cc32)cc1)C(=O)[O-] ZINC001593615782 995838857 /nfs/dbraw/zinc/83/88/57/995838857.db2.gz QGJQVTJPHIRZCP-GFCCVEGCSA-N -1 0 331.799 3.755 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NCc1cccc(Oc2ccccc2)c1 ZINC000683300344 1015985760 /nfs/dbraw/zinc/98/57/60/1015985760.db2.gz GCQMTVYXYXPHQB-UHFFFAOYSA-N -1 0 341.407 3.986 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CC2(CCC2)[C@@H]1C1CC1)C(=O)[O-] ZINC001593668292 996062743 /nfs/dbraw/zinc/06/27/43/996062743.db2.gz PPGQUUPGTCLYRQ-LRDDRELGSA-N -1 0 345.464 3.657 20 0 EHADRM C[C@@H](Sc1nnc(-c2ccccc2)n1C)c1ccc(C(=O)[O-])o1 ZINC001593678574 996093642 /nfs/dbraw/zinc/09/36/42/996093642.db2.gz SCUFNTRHDQOUSC-SNVBAGLBSA-N -1 0 329.381 3.627 20 0 EHADRM C[C@H](Sc1nc(C(=O)[O-])cs1)c1nc(-c2ccccc2)no1 ZINC001593679252 996099384 /nfs/dbraw/zinc/09/93/84/996099384.db2.gz HKTWCKLBRZAQMU-QMMMGPOBSA-N -1 0 333.394 3.745 20 0 EHADRM C[C@@H](Sc1nncn1CCc1cccs1)c1ccc(C(=O)[O-])o1 ZINC001593685181 996112706 /nfs/dbraw/zinc/11/27/06/996112706.db2.gz MHFXYYKXQKFWMD-SNVBAGLBSA-N -1 0 349.437 3.727 20 0 EHADRM COCc1ncsc1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000339945783 1016005173 /nfs/dbraw/zinc/00/51/73/1016005173.db2.gz PNYFFKVRQMDRBQ-UHFFFAOYSA-N -1 0 333.196 3.554 20 0 EHADRM C[C@H](c1ccccc1)N(C(=O)c1ccc(/C=C/C(=O)[O-])o1)C1CC1 ZINC001593705396 996190382 /nfs/dbraw/zinc/19/03/82/996190382.db2.gz JJYGEELLMATVTE-RSKUSDAESA-N -1 0 325.364 3.743 20 0 EHADRM C[C@@H](c1ncc(C(=O)[O-])s1)N(Cc1ccco1)Cc1ccco1 ZINC001593730927 996298523 /nfs/dbraw/zinc/29/85/23/996298523.db2.gz BQMWYOPSLFXQPA-NSHDSACASA-N -1 0 332.381 3.791 20 0 EHADRM C[C@H](c1nc2ccccc2s1)N(C)Cc1ccc(C(=O)[O-])n1C ZINC001593734416 996324546 /nfs/dbraw/zinc/32/45/46/996324546.db2.gz UYOVLVDJKTVCEJ-LLVKDONJSA-N -1 0 329.425 3.526 20 0 EHADRM C[C@]1(Br)C[C@@H]1CNc1cc(C(=O)[O-])cc2cccnc21 ZINC001593740796 996358090 /nfs/dbraw/zinc/35/80/90/996358090.db2.gz VSRBBQKGCQXVGR-ABAIWWIYSA-N -1 0 335.201 3.518 20 0 EHADRM C[C@]1(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])CCc2ccccc2C1 ZINC001593750153 996394429 /nfs/dbraw/zinc/39/44/29/996394429.db2.gz XCIUYQNGVXIDLM-RXVVDRJESA-N -1 0 343.467 3.721 20 0 EHADRM C[C@]1(C(=O)Nc2cc(F)cc(C(=O)[O-])c2F)CCc2ccccc2C1 ZINC001593760413 996418813 /nfs/dbraw/zinc/41/88/13/996418813.db2.gz VXDKOQXQJFOAMU-IBGZPJMESA-N -1 0 345.345 3.797 20 0 EHADRM C[C@]1(C(=O)Nc2cccc(C(=O)[O-])c2Br)C[C@H]2C[C@H]2C1 ZINC001593761965 996426258 /nfs/dbraw/zinc/42/62/58/996426258.db2.gz UIPPVEDEMSFLFJ-ZZCKJEPUSA-N -1 0 338.201 3.522 20 0 EHADRM CC1(C)[C@@H](c2cccc(Cl)c2)CCN1c1ccnc(C(=O)[O-])n1 ZINC001593837831 996596664 /nfs/dbraw/zinc/59/66/64/996596664.db2.gz NJIUEQBZVMQPJN-CYBMUJFWSA-N -1 0 331.803 3.601 20 0 EHADRM CC1(C)C=Cc2cccc(NC(=O)N[C@H]3CC[C@@H](CC(=O)[O-])C3)c2O1 ZINC001593842584 996604699 /nfs/dbraw/zinc/60/46/99/996604699.db2.gz QOVHCTWPVJYRCG-OCCSQVGLSA-N -1 0 344.411 3.636 20 0 EHADRM CC1(C)CC(C(=O)NC[C@H](Cc2cccc3ccccc32)C(=O)[O-])C1 ZINC001593848471 996620141 /nfs/dbraw/zinc/62/01/41/996620141.db2.gz SFFFHJRBAJIWGT-INIZCTEOSA-N -1 0 339.435 3.636 20 0 EHADRM CC1(C)C[C@@H](OC(=O)Cc2cccc(C(=O)[O-])c2)c2ccccc2O1 ZINC001593861781 996656028 /nfs/dbraw/zinc/65/60/28/996656028.db2.gz IFXBGBQYMSZOSC-QGZVFWFLSA-N -1 0 340.375 3.773 20 0 EHADRM CC1(C)C[C@H](c2ccccc2)N(C(=O)/C=C\c2ccc(C(=O)[O-])o2)C1 ZINC001593864533 996666609 /nfs/dbraw/zinc/66/66/09/996666609.db2.gz WUMFUKSKHJLMEZ-HGPCXVNDSA-N -1 0 339.391 3.991 20 0 EHADRM CC1(C)C[C@@]1(C)NC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001593864856 996669861 /nfs/dbraw/zinc/66/98/61/996669861.db2.gz JSTOMCNSQZAPPX-QGZVFWFLSA-N -1 0 336.457 3.705 20 0 EHADRM CC1(C)C[C@]1(NC(=O)Nc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC001593868191 996674237 /nfs/dbraw/zinc/67/42/37/996674237.db2.gz FUFXPNOWWIJTAK-KRWDZBQOSA-N -1 0 330.409 3.893 20 0 EHADRM CC1(C)CC[C@@H]1NC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001593883537 996716548 /nfs/dbraw/zinc/71/65/48/996716548.db2.gz KBKBNUBJQWXOCG-INIZCTEOSA-N -1 0 345.443 3.685 20 0 EHADRM CC1(C)CCC[C@](NC(=O)c2cccc3c2CCCC3)(C(=O)[O-])C1 ZINC001593892354 996740360 /nfs/dbraw/zinc/74/03/60/996740360.db2.gz LWLCIRSQPNWUSO-HXUWFJFHSA-N -1 0 329.440 3.719 20 0 EHADRM CC1(C)CCC[C@](NC(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)(C(=O)[O-])C1 ZINC001593892553 996741656 /nfs/dbraw/zinc/74/16/56/996741656.db2.gz UFJMIAIAJVXLSB-JXXFODFXSA-N -1 0 347.430 3.859 20 0 EHADRM CC1(C)CCCN1C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001593910364 996791720 /nfs/dbraw/zinc/79/17/20/996791720.db2.gz MXCAAXYLGSBCIG-LBPRGKRZSA-N -1 0 344.333 3.572 20 0 EHADRM CC1(C)CCN(C(=O)/C=C/c2cc(C(=O)[O-])co2)c2ccccc21 ZINC001593910600 996796034 /nfs/dbraw/zinc/79/60/34/996796034.db2.gz CCRJVYPCEHGUJO-BQYQJAHWSA-N -1 0 325.364 3.706 20 0 EHADRM COc1ccc(C(=O)Nc2cc(F)cc(Cl)c2C(=O)[O-])cc1C ZINC001599485768 996846754 /nfs/dbraw/zinc/84/67/54/996846754.db2.gz MCUCRBXJMIJIOQ-UHFFFAOYSA-N -1 0 337.734 3.747 20 0 EHADRM CC1(C)CN(C(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)c2ccccc21 ZINC001593926649 996858190 /nfs/dbraw/zinc/85/81/90/996858190.db2.gz FSWQKWVVFJQIFQ-KKSFZXQISA-N -1 0 335.403 3.569 20 0 EHADRM COC[C@H](NCc1cc(C(=O)[O-])ccc1F)c1ccc(Cl)cc1 ZINC001599176832 996863856 /nfs/dbraw/zinc/86/38/56/996863856.db2.gz HLPBDUYEZJOZIB-INIZCTEOSA-N -1 0 337.778 3.655 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)[C@@H]1c1ccco1 ZINC001593935327 996907933 /nfs/dbraw/zinc/90/79/33/996907933.db2.gz WWUBRBXKEOOACR-CQSZACIVSA-N -1 0 332.331 3.732 20 0 EHADRM COC(=O)Nc1cccc(N[C@@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC001598887824 996932468 /nfs/dbraw/zinc/93/24/68/996932468.db2.gz FIRZCHWPIVONQB-CQSZACIVSA-N -1 0 334.759 3.756 20 0 EHADRM COC(=O)Nc1cccc(NCc2cc(C(=O)[O-])ccc2Cl)c1 ZINC001598887869 996932919 /nfs/dbraw/zinc/93/29/19/996932919.db2.gz GEGTVUIQRWDQGW-UHFFFAOYSA-N -1 0 334.759 3.829 20 0 EHADRM COCc1cc(NC(=O)N2CCC(C)(C3CC3)CC2)cc(C(=O)[O-])c1 ZINC001599284999 996960676 /nfs/dbraw/zinc/96/06/76/996960676.db2.gz KXHASZCBFAMDQU-UHFFFAOYSA-N -1 0 346.427 3.575 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)c2ccc3[nH]c(C)c(C)c3c2)c1 ZINC001599492300 996961881 /nfs/dbraw/zinc/96/18/81/996961881.db2.gz MHJGBDFJXSJKQN-UHFFFAOYSA-N -1 0 339.347 3.711 20 0 EHADRM COc1cc(C)c([C@@H](C)OC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1C ZINC001599390650 997028653 /nfs/dbraw/zinc/02/86/53/997028653.db2.gz HWDKZOITXMAFBR-RBSFLKMASA-N -1 0 334.412 3.807 20 0 EHADRM COCc1cc(NCc2c[nH]c(-c3ccccc3)n2)cc(C(=O)[O-])c1 ZINC001599289917 997047486 /nfs/dbraw/zinc/04/74/86/997047486.db2.gz QSWRWWMGJKJGHI-UHFFFAOYSA-N -1 0 337.379 3.533 20 0 EHADRM COc1cc(C)cc(NC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1C ZINC001599391961 997054532 /nfs/dbraw/zinc/05/45/32/997054532.db2.gz HQWOEXQURADRTA-CQSZACIVSA-N -1 0 348.443 3.667 20 0 EHADRM COc1cc(C)c(NC(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1C ZINC001599393265 997077033 /nfs/dbraw/zinc/07/70/33/997077033.db2.gz LICNBPQQWCYDIS-ZDUSSCGKSA-N -1 0 348.424 3.711 20 0 EHADRM COCc1ccc(CNc2nc(C(F)(F)F)ccc2C(=O)[O-])cc1 ZINC001599294339 997113123 /nfs/dbraw/zinc/11/31/23/997113123.db2.gz WCSJSLKDTZXOGM-UHFFFAOYSA-N -1 0 340.301 3.557 20 0 EHADRM COc1ccc(C(=O)[O-])cc1CN1Cc2ccccc2C(F)(F)C1 ZINC001599501785 997137124 /nfs/dbraw/zinc/13/71/24/997137124.db2.gz WOXNFYLFICAXFA-UHFFFAOYSA-N -1 0 333.334 3.501 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)C12CCC(CC1)CC2 ZINC001599398485 997172468 /nfs/dbraw/zinc/17/24/68/997172468.db2.gz HJNBSHDEHJSADU-HWKANZROSA-N -1 0 330.380 3.669 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Nc2c(C)csc2C(=O)[O-])cc1 ZINC001599506163 997213737 /nfs/dbraw/zinc/21/37/37/997213737.db2.gz BCLBRGAGLMHGCZ-JTQLQIEISA-N -1 0 333.409 3.896 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Nc2c(F)ccc(F)c2C(=O)[O-])cc1 ZINC001599506727 997222806 /nfs/dbraw/zinc/22/28/06/997222806.db2.gz LCXWOJIKAAKSGM-SNVBAGLBSA-N -1 0 349.333 3.804 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)C1[C@@H]2CCCCCC[C@H]12 ZINC001599401679 997225208 /nfs/dbraw/zinc/22/52/08/997225208.db2.gz ZODYDYBSAWVVPF-KJFBAERKSA-N -1 0 344.407 3.915 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1cccc(C2CC2)c1 ZINC001599401695 997225869 /nfs/dbraw/zinc/22/58/69/997225869.db2.gz ZADTZTTWBPZUDG-UXBLZVDNSA-N -1 0 338.359 3.890 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OCCCc1cccc(F)c1 ZINC001599401827 997228741 /nfs/dbraw/zinc/22/87/41/997228741.db2.gz YREUNUUCDFNVEL-NTMALXAHSA-N -1 0 330.355 3.944 20 0 EHADRM COC1CCC(C(=O)Oc2cccc3c(CC(=O)[O-])cccc23)CC1 ZINC001599099061 997346314 /nfs/dbraw/zinc/34/63/14/997346314.db2.gz LOCQIUZZXXYZCH-UHFFFAOYSA-N -1 0 342.391 3.578 20 0 EHADRM COc1ccc2cccc(CC(=O)Nc3cc(C(=O)[O-])cs3)c2c1 ZINC000191350906 1032139622 /nfs/dbraw/zinc/13/96/22/1032139622.db2.gz TXJFIHWZCDPTMD-UHFFFAOYSA-N -1 0 341.388 3.789 20 0 EHADRM COC[C@H]1CCCCN1C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001599203284 997355941 /nfs/dbraw/zinc/35/59/41/997355941.db2.gz OXTSKLFTWBLUKT-CYBMUJFWSA-N -1 0 342.395 3.571 20 0 EHADRM CO[C@H]1CCC[C@@H](C(=O)OCc2c3ccccc3sc2C(=O)[O-])C1 ZINC001599104556 997451613 /nfs/dbraw/zinc/45/16/13/997451613.db2.gz GWJHYBMFLBYVCS-NEPJUHHUSA-N -1 0 348.420 3.848 20 0 EHADRM CON(C(=O)c1ccc(C(C)(C)C)c(Cl)c1)[C@H](C)CC(=O)[O-] ZINC001599313307 997454334 /nfs/dbraw/zinc/45/43/34/997454334.db2.gz ZMTHSTASYKSJIE-SNVBAGLBSA-N -1 0 327.808 3.504 20 0 EHADRM COc1ccc([C@@H](NC(=O)C[C@@H](C)CCC=C(C)C)C(=O)[O-])cc1 ZINC001599520320 997467849 /nfs/dbraw/zinc/46/78/49/997467849.db2.gz RPALWIYGHQEQQI-KBXCAEBGSA-N -1 0 333.428 3.710 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)NC[C@@]1(C)C[C@H]2C[C@H]2C1)c1ccccc1 ZINC001594016754 997502359 /nfs/dbraw/zinc/50/23/59/997502359.db2.gz FFIKFLIWNYMMEA-KSVNGYGVSA-N -1 0 344.455 3.574 20 0 EHADRM COC(=O)c1c[nH]c2cc(N[C@H](C)CC(C)(C)CC(=O)[O-])ccc12 ZINC001598917892 997509659 /nfs/dbraw/zinc/50/96/59/997509659.db2.gz WFTRHTZIQRMINR-LLVKDONJSA-N -1 0 332.400 3.646 20 0 EHADRM CON(C[C@H]1CCC[C@@H](C)C1)C(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001599317493 997525584 /nfs/dbraw/zinc/52/55/84/997525584.db2.gz NNWHOJOTHGEAQP-OCCSQVGLSA-N -1 0 334.416 3.915 20 0 EHADRM CON(C[C@H]1CCC[C@@H](C)C1)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001599318240 997535923 /nfs/dbraw/zinc/53/59/23/997535923.db2.gz XYCXONHSPNEHQC-CABCVRRESA-N -1 0 325.449 3.628 20 0 EHADRM COc1cc(CSCc2cccc(C(=O)[O-])n2)ccc1SC ZINC001599418589 997553660 /nfs/dbraw/zinc/55/36/60/997553660.db2.gz RCSIREZTHKYJIH-UHFFFAOYSA-N -1 0 335.450 3.944 20 0 EHADRM CC1(CNC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])CCCCCC1 ZINC001594026671 997561955 /nfs/dbraw/zinc/56/19/55/997561955.db2.gz DVZFTGCEGDPXKT-UHFFFAOYSA-N -1 0 342.439 3.885 20 0 EHADRM COc1cc(Cl)ccc1[C@@H](C)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001599421480 997603265 /nfs/dbraw/zinc/60/32/65/997603265.db2.gz SZMDRMCQVIJQQR-RKDXNWHRSA-N -1 0 340.832 3.915 20 0 EHADRM COc1ccc([C@H](NCc2ccc(C)cc2Cl)C(=O)[O-])c(OC)c1 ZINC001599531665 997665873 /nfs/dbraw/zinc/66/58/73/997665873.db2.gz KUJOXNJYAXPTHA-KRWDZBQOSA-N -1 0 349.814 3.581 20 0 EHADRM COC(=O)c1cc(CN(C)[C@H](C)c2ccccc2F)cc(C(=O)[O-])c1 ZINC001598928258 997692640 /nfs/dbraw/zinc/69/26/40/997692640.db2.gz NUKRTWSNTWOIHY-GFCCVEGCSA-N -1 0 345.370 3.504 20 0 EHADRM COc1ccc([C@H](NCc2cc(C(=O)[O-])oc2C)C(F)(F)F)cc1 ZINC001599533281 997697892 /nfs/dbraw/zinc/69/78/92/997697892.db2.gz YTHJMPOBDQQVEH-AWEZNQCLSA-N -1 0 343.301 3.688 20 0 EHADRM C[C@]1(NC(=O)c2nc3ccccc3cc2Cl)CCCC[C@@H]1C(=O)[O-] ZINC001594056305 997796637 /nfs/dbraw/zinc/79/66/37/997796637.db2.gz ONLCRRTXVHUQRY-XIKOKIGWSA-N -1 0 346.814 3.652 20 0 EHADRM COc1cc(NC(=O)N2Cc3ccccc3[C@H](C)C2)ccc1C(=O)[O-] ZINC001599438117 997884587 /nfs/dbraw/zinc/88/45/87/997884587.db2.gz SYXRBZQCEOAZCR-GFCCVEGCSA-N -1 0 340.379 3.545 20 0 EHADRM COc1ccc(C=O)cc1CS[C@H](Cc1ccc(C)cc1)C(=O)[O-] ZINC001599543878 997891479 /nfs/dbraw/zinc/89/14/79/997891479.db2.gz XVLBRJKEOQLIIO-GOSISDBHSA-N -1 0 344.432 3.745 20 0 EHADRM COc1c(NC(=O)N2CC[C@H]2c2ccc(F)cc2)cccc1C(=O)[O-] ZINC001599339868 997903449 /nfs/dbraw/zinc/90/34/49/997903449.db2.gz MHCTYZTUOANMSB-HNNXBMFYSA-N -1 0 344.342 3.511 20 0 EHADRM COc1ccc(/C=C/c2ncncc2C(=O)[O-])cc1OCCC(C)C ZINC001599544692 997903723 /nfs/dbraw/zinc/90/37/23/997903723.db2.gz WCJJZLBJMFDIRN-GQCTYLIASA-N -1 0 342.395 3.779 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OCC(=O)CC(C)(C)C1CC1 ZINC001599545643 997918009 /nfs/dbraw/zinc/91/80/09/997918009.db2.gz PBRPWJGFQAYACC-WEVVVXLNSA-N -1 0 332.396 3.567 20 0 EHADRM COc1cc(NC(=O)c2ccc(C(=O)[O-])n2C)c(C2CC2)cc1Cl ZINC001599442812 997957373 /nfs/dbraw/zinc/95/73/73/997957373.db2.gz ZXWRPRFHTUVXIE-UHFFFAOYSA-N -1 0 348.786 3.515 20 0 EHADRM COc1cc(N[C@H](C)[C@@H]2C[C@H]2C(=O)[O-])c(Cl)cc1Br ZINC001599443691 997973193 /nfs/dbraw/zinc/97/31/93/997973193.db2.gz XMAJALIDEJFVKV-GJMOJQLCSA-N -1 0 348.624 3.632 20 0 EHADRM COc1ccc(CC(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)c(C)c1 ZINC001599549101 997974161 /nfs/dbraw/zinc/97/41/61/997974161.db2.gz BYUOKEJLMFPSMI-UHFFFAOYSA-N -1 0 342.391 3.514 20 0 EHADRM COc1cc(NCc2cnc(-c3ccccn3)s2)ccc1C(=O)[O-] ZINC001599443924 997975657 /nfs/dbraw/zinc/97/56/57/997975657.db2.gz QLSZPQXOLRZFFI-UHFFFAOYSA-N -1 0 341.392 3.524 20 0 EHADRM COc1c(NCC2CCC(c3ccccc3)CC2)ncnc1C(=O)[O-] ZINC001599344796 997984582 /nfs/dbraw/zinc/98/45/82/997984582.db2.gz NTDRMPWDBOIVIO-UHFFFAOYSA-N -1 0 341.411 3.569 20 0 EHADRM COc1c(OC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)ccc2ccccc21 ZINC001599344849 997984699 /nfs/dbraw/zinc/98/46/99/997984699.db2.gz PJDPEIAOWDPIFC-UONOGXRCSA-N -1 0 328.364 3.645 20 0 EHADRM COc1ccc(C[C@@H](C)C(=O)OCc2cc(C(=O)[O-])sc2C)cc1 ZINC001599549762 997984984 /nfs/dbraw/zinc/98/49/84/997984984.db2.gz BNIYBOBRHQGKSV-LLVKDONJSA-N -1 0 348.420 3.685 20 0 EHADRM COc1cc(OC(=O)/C=C\c2ccc(Cl)cc2)ccc1C(=O)[O-] ZINC001599445149 997996626 /nfs/dbraw/zinc/99/66/26/997996626.db2.gz CDRYKUYECTVIFW-WTKPLQERSA-N -1 0 332.739 3.666 20 0 EHADRM COc1c(Sc2c(Cl)cccc2Cl)ncnc1C(=O)[O-] ZINC001599345828 998003175 /nfs/dbraw/zinc/00/31/75/998003175.db2.gz ZJVIWCNZTWPKBI-UHFFFAOYSA-N -1 0 331.180 3.641 20 0 EHADRM COc1cc(OC(=O)CCCc2ccc(C)cc2)ccc1C(=O)[O-] ZINC001599445651 998005410 /nfs/dbraw/zinc/00/54/10/998005410.db2.gz KJHHNOVAZDOHBW-UHFFFAOYSA-N -1 0 328.364 3.630 20 0 EHADRM COc1cc(OC(=O)Cc2coc3ccc(C)cc23)ccc1C(=O)[O-] ZINC001599445785 998007913 /nfs/dbraw/zinc/00/79/13/998007913.db2.gz MIZBFUHPFDIUMS-UHFFFAOYSA-N -1 0 340.331 3.596 20 0 EHADRM COc1cc(OC(=O)[C@@H](C)c2ccc(Cl)s2)ccc1C(=O)[O-] ZINC001599446008 998010651 /nfs/dbraw/zinc/01/06/51/998010651.db2.gz LYERMIXACTVJMW-QMMMGPOBSA-N -1 0 340.784 3.817 20 0 EHADRM COc1cc(OC(=O)c2ccc(C(F)F)cc2F)ccc1C(=O)[O-] ZINC001599446882 998022585 /nfs/dbraw/zinc/02/25/85/998022585.db2.gz AGZKSQMQZCEHLB-UHFFFAOYSA-N -1 0 340.253 3.689 20 0 EHADRM COc1ccc(CCC(=O)O[C@@H](C(=O)[O-])c2ccccc2)cc1Cl ZINC001599553144 998043928 /nfs/dbraw/zinc/04/39/28/998043928.db2.gz VYNXYXZLLVBFCG-QGZVFWFLSA-N -1 0 348.782 3.650 20 0 EHADRM COc1cc(OC)cc([C@@H](Sc2cc(C)cc(C)n2)C(=O)[O-])c1 ZINC001599451369 998107593 /nfs/dbraw/zinc/10/75/93/998107593.db2.gz CSZJIEOZPPFIJJ-MRXNPFEDSA-N -1 0 333.409 3.634 20 0 EHADRM COc1cc(OC)cc(N(C)Cc2cc(C(=O)[O-])ccc2Cl)c1 ZINC001599451525 998111223 /nfs/dbraw/zinc/11/12/23/998111223.db2.gz JNWGFYHPYAXKLC-UHFFFAOYSA-N -1 0 335.787 3.692 20 0 EHADRM Cc1ccccc1CCNC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1 ZINC000471260241 1016186997 /nfs/dbraw/zinc/18/69/97/1016186997.db2.gz YFTOKFNLLIYKEL-FQEVSTJZSA-N -1 0 331.456 3.715 20 0 EHADRM CC1=C(C(=O)[O-])C[C@H](COc2c(C=O)cc(Cl)c3ccccc32)O1 ZINC001594106990 998170783 /nfs/dbraw/zinc/17/07/83/998170783.db2.gz PVNLESHLCOUBEC-GFCCVEGCSA-N -1 0 346.766 3.832 20 0 EHADRM CC1=C(C)C[C@H](C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])CC1 ZINC001594108333 998177562 /nfs/dbraw/zinc/17/75/62/998177562.db2.gz INENFNAAAJQNBF-FUHWJXTLSA-N -1 0 329.440 3.872 20 0 EHADRM COc1cc(C(=O)Nc2cccc(C(=O)[O-])c2Cl)cc(OC)c1C ZINC001599355885 998178354 /nfs/dbraw/zinc/17/83/54/998178354.db2.gz NNRYYTCPOXCYAG-UHFFFAOYSA-N -1 0 349.770 3.616 20 0 EHADRM COc1cc(C(=O)Nc2ccc3c(c2)[nH]cc3C(=O)[O-])ccc1Cl ZINC001599356067 998181203 /nfs/dbraw/zinc/18/12/03/998181203.db2.gz USBQJJFNELLOTH-UHFFFAOYSA-N -1 0 344.754 3.780 20 0 EHADRM COc1cc(Oc2cc(C(F)(F)F)c(C(=O)[O-])cn2)ccc1F ZINC001599455924 998187689 /nfs/dbraw/zinc/18/76/89/998187689.db2.gz GEBZXQYBHABWBC-UHFFFAOYSA-N -1 0 331.221 3.739 20 0 EHADRM COc1cc(OCc2csc(C(=O)[O-])c2)ccc1Br ZINC001599456279 998193500 /nfs/dbraw/zinc/19/35/00/998193500.db2.gz CKNZJXBWCDGPBA-UHFFFAOYSA-N -1 0 343.198 3.796 20 0 EHADRM CC1=C(C)C[C@@H](C(=O)N[C@@H](Cc2cc3ccccc3o2)C(=O)[O-])CC1 ZINC001594110586 998211720 /nfs/dbraw/zinc/21/17/20/998211720.db2.gz WJSJUOFFOIOKRF-RDJZCZTQSA-N -1 0 341.407 3.681 20 0 EHADRM COC(=O)c1cc2ccc(OCc3ccsc3C(=O)[O-])cc2o1 ZINC001598958024 998280105 /nfs/dbraw/zinc/28/01/05/998280105.db2.gz SQLCCXICKUZKBY-UHFFFAOYSA-N -1 0 332.333 3.558 20 0 EHADRM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)C(CC(C)C)CC(C)C)c1 ZINC001598961630 998343371 /nfs/dbraw/zinc/34/33/71/998343371.db2.gz PTONJWAOXWXXLS-UHFFFAOYSA-N -1 0 349.427 3.818 20 0 EHADRM COc1ccc(CNc2nc3cccc(F)c3s2)cc1C(=O)[O-] ZINC001599574158 998413939 /nfs/dbraw/zinc/41/39/39/998413939.db2.gz AOQTXMZPSICMPI-UHFFFAOYSA-N -1 0 332.356 3.754 20 0 EHADRM COc1ccc(CNc2cccc(C(=O)[O-])n2)cc1OC1CCCC1 ZINC001599574196 998414293 /nfs/dbraw/zinc/41/42/93/998414293.db2.gz BSLAGWQBSLPQGI-UHFFFAOYSA-N -1 0 342.395 3.722 20 0 EHADRM COc1ccc(CNc2ccc3c(c2)[nH]cc3C(=O)[O-])c(F)c1OC ZINC001599575410 998435012 /nfs/dbraw/zinc/43/50/12/998435012.db2.gz XYZXXHDJWKPQKQ-UHFFFAOYSA-N -1 0 344.342 3.635 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N[C@H]1CCC(C)(C)C[C@H]1C ZINC001599372845 998438482 /nfs/dbraw/zinc/43/84/82/998438482.db2.gz QYEKSIQXMAENBS-YPMHNXCESA-N -1 0 334.416 3.730 20 0 EHADRM COc1ccc(COc2ccccc2[C@@H](OC)C(=O)[O-])cc1Cl ZINC001599575645 998438608 /nfs/dbraw/zinc/43/86/08/998438608.db2.gz GWOJGOJAPHDJTH-MRXNPFEDSA-N -1 0 336.771 3.700 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1cc2sccc2c(O)c1 ZINC001599373743 998453721 /nfs/dbraw/zinc/45/37/21/998453721.db2.gz CLYUKPOKWHLEAM-UHFFFAOYSA-N -1 0 343.360 3.566 20 0 EHADRM COc1ccc(Cn2cc(N[C@H](C)CC(C)(C)CC(=O)[O-])cn2)cc1 ZINC001599580209 998515667 /nfs/dbraw/zinc/51/56/67/998515667.db2.gz IBHIAMAMOLMUEU-CQSZACIVSA-N -1 0 345.443 3.631 20 0 EHADRM COC(=O)c1ccc(C)c(OCc2cccc(C(=O)[O-])c2Cl)c1 ZINC001598971190 998517208 /nfs/dbraw/zinc/51/72/08/998517208.db2.gz VZFOMRKMXSCSTQ-UHFFFAOYSA-N -1 0 334.755 3.712 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)c1coc2c1cccc2C ZINC001599378053 998521221 /nfs/dbraw/zinc/52/12/21/998521221.db2.gz HRDDUKKVKFDCDE-UHFFFAOYSA-N -1 0 326.304 3.667 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)Cc1c(C)oc2ccccc21 ZINC001599378212 998523291 /nfs/dbraw/zinc/52/32/91/998523291.db2.gz IRBYTBAGJSXPLH-UHFFFAOYSA-N -1 0 340.331 3.596 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)c1cccc(OC(C)(C)C)c1 ZINC001599378657 998531585 /nfs/dbraw/zinc/53/15/85/998531585.db2.gz DCYLNQHTNMGBBZ-UHFFFAOYSA-N -1 0 344.363 3.790 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)c1oc2c(cccc2C)c1C ZINC001599378726 998532447 /nfs/dbraw/zinc/53/24/47/998532447.db2.gz SCTAHJGHRBVXNC-UHFFFAOYSA-N -1 0 340.331 3.976 20 0 EHADRM COc1ccc(F)cc1C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC001599582008 998547418 /nfs/dbraw/zinc/54/74/18/998547418.db2.gz BPVGYXZOBMEJKS-UHFFFAOYSA-N -1 0 331.343 3.908 20 0 EHADRM COc1ccc(F)cc1C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001599582174 998550827 /nfs/dbraw/zinc/55/08/27/998550827.db2.gz MCFIKWIEMCJPMY-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)Nc1nc(C2CCCCC2)cs1 ZINC001594155739 998563468 /nfs/dbraw/zinc/56/34/68/998563468.db2.gz FFSQHHLEELRGCS-ZYHUDNBSSA-N -1 0 337.445 3.518 20 0 EHADRM O=C([O-])CCCCC(=O)N(Cc1ccccc1)Cc1ccccc1F ZINC000655556733 1016238508 /nfs/dbraw/zinc/23/85/08/1016238508.db2.gz XGHFUXZGUHSAHP-UHFFFAOYSA-N -1 0 343.398 4.000 20 0 EHADRM COC(=O)c1ccc(NCc2cccc(F)c2Cl)cc1C(=O)[O-] ZINC001598984430 998687107 /nfs/dbraw/zinc/68/71/07/998687107.db2.gz OYZVASUMEKDQIB-UHFFFAOYSA-N -1 0 337.734 3.576 20 0 EHADRM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1C(=O)c1ccc(-c2ccco2)s1 ZINC001594206954 998795982 /nfs/dbraw/zinc/79/59/82/998795982.db2.gz ULFSXKUIKCEVPW-QWRGUYRKSA-N -1 0 333.409 3.722 20 0 EHADRM C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001594213587 998823691 /nfs/dbraw/zinc/82/36/91/998823691.db2.gz DYHHVOPEFDITDL-MWLCHTKSSA-N -1 0 330.306 3.580 20 0 EHADRM C[C@@H]1C[C@@H](CC(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)CC(C)(C)C1 ZINC001594232552 998886215 /nfs/dbraw/zinc/88/62/15/998886215.db2.gz MOQLLHUXVXXAKG-JKIFEVAISA-N -1 0 349.446 3.963 20 0 EHADRM C[C@H]1C[C@H](CCNC(=O)N2CCC(CC(=O)[O-])CC2)CC(C)(C)C1 ZINC001594233748 998891266 /nfs/dbraw/zinc/89/12/66/998891266.db2.gz ZWTNJTUXJYCEMZ-HOCLYGCPSA-N -1 0 338.492 3.735 20 0 EHADRM C[C@@H]1C[C@@H](CCNC(=O)c2cccc(CC(=O)[O-])c2)CC(C)(C)C1 ZINC001594236674 998902584 /nfs/dbraw/zinc/90/25/84/998902584.db2.gz SKTYFJBUVDIUJE-GDBMZVCRSA-N -1 0 331.456 3.896 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])C1 ZINC001594252306 998971423 /nfs/dbraw/zinc/97/14/23/998971423.db2.gz DVYMTJSUPWRZSB-UAGQMJEPSA-N -1 0 331.456 3.966 20 0 EHADRM C[C@@H]1C[C@H](NC(=O)CC(C)(C)CC(=O)[O-])C[C@@H](c2ccccc2)C1 ZINC001594252308 998971619 /nfs/dbraw/zinc/97/16/19/998971619.db2.gz DVYMTJSUPWRZSB-XIRDDKMYSA-N -1 0 331.456 3.966 20 0 EHADRM CO[C@@H](C(=O)[O-])c1ccccc1OCCOc1ccccc1Cl ZINC001599026844 999022394 /nfs/dbraw/zinc/02/23/94/999022394.db2.gz OZAKVIOVBDRUHS-MRXNPFEDSA-N -1 0 336.771 3.570 20 0 EHADRM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001594265534 999028068 /nfs/dbraw/zinc/02/80/68/999028068.db2.gz DUDILLUBYIPSNA-ABAIWWIYSA-N -1 0 343.358 3.534 20 0 EHADRM CO[C@@H](C(=O)Nc1c(C)cc(Cl)cc1C(=O)[O-])C1CCCCC1 ZINC001599028045 999030012 /nfs/dbraw/zinc/03/00/12/999030012.db2.gz WSYJZFYXROSQDJ-OAHLLOKOSA-N -1 0 339.819 3.880 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)o1 ZINC001594280458 999089096 /nfs/dbraw/zinc/08/90/96/999089096.db2.gz XWXMZVPPKLSWMH-XOKHGSTOSA-N -1 0 347.455 3.733 20 0 EHADRM CO[C@@H](C)CN(C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)C(C)C ZINC001599039787 999109429 /nfs/dbraw/zinc/10/94/29/999109429.db2.gz HPPZMHLRPXMONU-ZDUSSCGKSA-N -1 0 344.411 3.815 20 0 EHADRM CO[C@H](C)c1nc(CNc2cc(C(=O)[O-])ccc2Cl)cs1 ZINC001599041850 999123636 /nfs/dbraw/zinc/12/36/36/999123636.db2.gz IBMVCLIFNDAXCO-MRVPVSSYSA-N -1 0 326.805 3.814 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)C[C@H]1C ZINC001594296340 999141422 /nfs/dbraw/zinc/14/14/22/999141422.db2.gz MQYJTVIDZGTHGO-AHEZYBDSSA-N -1 0 343.467 3.993 20 0 EHADRM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001594297967 999149671 /nfs/dbraw/zinc/14/96/71/999149671.db2.gz CZVVMFKMHWHCDL-XQOMNBSISA-N -1 0 347.377 3.601 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cc(C(=O)[O-])cs1 ZINC001594298035 999150166 /nfs/dbraw/zinc/15/01/66/999150166.db2.gz FEBWVZXRDDSPLE-MRVWCRGKSA-N -1 0 339.457 3.862 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1cc(C(=O)[O-])cs1 ZINC001594298036 999150316 /nfs/dbraw/zinc/15/03/16/999150316.db2.gz FEBWVZXRDDSPLE-XBFCOCLRSA-N -1 0 339.457 3.862 20 0 EHADRM C[C@@H]1CC[C@@H](NC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)[C@H](C)C1 ZINC001594312332 999198315 /nfs/dbraw/zinc/19/83/15/999198315.db2.gz AAFWTKKCZHZKJD-UEKVPHQBSA-N -1 0 329.400 3.812 20 0 EHADRM C[C@@H]1CC[C@@H](NC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)[C@H](C)C1 ZINC001594314123 999213933 /nfs/dbraw/zinc/21/39/33/999213933.db2.gz OICCNLXKAOEBRO-GYRMQKGHSA-N -1 0 330.428 3.821 20 0 EHADRM C[C@@H]1CC[C@@](NC(=O)C=C(C2CC2)C2CC2)(C(=O)[O-])c2ccccc21 ZINC001594314859 999218754 /nfs/dbraw/zinc/21/87/54/999218754.db2.gz SRNUMUMMPCKESC-ASSNKEHSSA-N -1 0 339.435 3.726 20 0 EHADRM CO[C@@H](c1ccccc1Cl)[C@@H](C)Nc1cc(CC(=O)[O-])ccn1 ZINC001599064294 999288098 /nfs/dbraw/zinc/28/80/98/999288098.db2.gz VUHUWJHWCSWQOF-PIGZYNQJSA-N -1 0 334.803 3.550 20 0 EHADRM C[C@H]1CCC[C@H](CC(=O)Nc2sc3c(c2C(=O)[O-])CCOC3)C1 ZINC001594345432 999307294 /nfs/dbraw/zinc/30/72/94/999307294.db2.gz UYMFQQDMEBOYKV-QWRGUYRKSA-N -1 0 337.441 3.674 20 0 EHADRM C[C@H]1CCC[C@H](OCCCCCC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1 ZINC001594354268 999338693 /nfs/dbraw/zinc/33/86/93/999338693.db2.gz BHUZRFYRTAYINC-YQQAZPJKSA-N -1 0 341.492 3.758 20 0 EHADRM C[C@H]1CCC[C@@H](OCC(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)C1 ZINC001594354904 999340046 /nfs/dbraw/zinc/34/00/46/999340046.db2.gz GFQPVVDSZPWSKX-GXSJLCMTSA-N -1 0 343.782 3.711 20 0 EHADRM C[C@H](NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)[C@@H]1CCC[C@@H](C)C1 ZINC001594356775 999348499 /nfs/dbraw/zinc/34/84/99/999348499.db2.gz ZVQGOQRXLWOCEE-FSZRXZPDSA-N -1 0 344.455 3.595 20 0 EHADRM C[C@H]1CCC[C@H]1CC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001594358266 999355248 /nfs/dbraw/zinc/35/52/48/999355248.db2.gz WNSBFLWCPDNQGK-ZFZWDLNGSA-N -1 0 349.858 3.793 20 0 EHADRM C[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001594361877 999367527 /nfs/dbraw/zinc/36/75/27/999367527.db2.gz OFMWFYIUCDDZHD-OLUVUFQESA-N -1 0 327.783 3.547 20 0 EHADRM C[C@H]1CCCC[C@@H]1NC(=S)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001594371217 999400007 /nfs/dbraw/zinc/40/00/07/999400007.db2.gz PDECAVMZEZRCMC-KWQFWETISA-N -1 0 328.384 3.528 20 0 EHADRM C[C@H]1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)c2ccccc21 ZINC001594394205 999485572 /nfs/dbraw/zinc/48/55/72/999485572.db2.gz HVOCBPFXTDSJSN-JAGHRAMZSA-N -1 0 327.424 3.952 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc(F)cc(C(=O)[O-])c2)[C@H]1c1ccccc1 ZINC001594407199 999526552 /nfs/dbraw/zinc/52/65/52/999526552.db2.gz PBQPWSJGCLENTP-YVEFUNNKSA-N -1 0 327.355 3.747 20 0 EHADRM CCc1cccc(CC)c1[N-]S(=O)(=O)c1cccc(OC)c1F ZINC000655569208 1016334058 /nfs/dbraw/zinc/33/40/58/1016334058.db2.gz YUWQUKGRVHRWBJ-UHFFFAOYSA-N -1 0 337.416 3.760 20 0 EHADRM C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001594447959 999642308 /nfs/dbraw/zinc/64/23/08/999642308.db2.gz LLVDHFJVHDDSGI-BBATYDOGSA-N -1 0 349.390 3.566 20 0 EHADRM Cc1oc(CNC(=O)c2ccc(Cl)cc2Cl)cc1C(=O)[O-] ZINC000038059714 1016374963 /nfs/dbraw/zinc/37/49/63/1016374963.db2.gz QQCUNQSYOXXVOF-UHFFFAOYSA-N -1 0 328.151 3.523 20 0 EHADRM Cc1ccc(OC2CCN(C(=O)c3c([O-])cccc3F)CC2)cc1C ZINC000120060764 1016388998 /nfs/dbraw/zinc/38/89/98/1016388998.db2.gz GDCURHOWUMFEQE-UHFFFAOYSA-N -1 0 343.398 3.832 20 0 EHADRM CCCC(C)(C)C(=O)Nc1cccc(-n2ncc(C(=O)[O-])c2C)c1 ZINC000652069317 1016520298 /nfs/dbraw/zinc/52/02/98/1016520298.db2.gz GZUWEWYURDHDCA-UHFFFAOYSA-N -1 0 329.400 3.644 20 0 EHADRM O=C(Nc1cccc2cccnc21)c1cccc(Br)c1[O-] ZINC000140588822 1016535911 /nfs/dbraw/zinc/53/59/11/1016535911.db2.gz ZIAPZGPAZUMZBU-UHFFFAOYSA-N -1 0 343.180 3.955 20 0 EHADRM CC[C@H](Cc1ccc(NCc2ccnn2CC(C)C)cc1)C(=O)[O-] ZINC000647646773 1016583963 /nfs/dbraw/zinc/58/39/63/1016583963.db2.gz NKURXGFMBUARDO-MRXNPFEDSA-N -1 0 329.444 3.805 20 0 EHADRM C[C@H](NC(=O)NCC1(C(=O)[O-])CCC1)c1cc(Cl)ccc1Cl ZINC000659395550 1016651493 /nfs/dbraw/zinc/65/14/93/1016651493.db2.gz RXAMJUOTDIOICH-VIFPVBQESA-N -1 0 345.226 3.609 20 0 EHADRM Cc1cccc(C)c1[C@H]1CCCN1C(=O)NCCC(C)(C)C(=O)[O-] ZINC000659408194 1016664754 /nfs/dbraw/zinc/66/47/54/1016664754.db2.gz OZBSDPYSIUZCMW-OAHLLOKOSA-N -1 0 332.444 3.651 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCc2[nH]c3ccccc3c2C1 ZINC000178458978 1016673721 /nfs/dbraw/zinc/67/37/21/1016673721.db2.gz JAPOAIITFPSBAU-UHFFFAOYSA-N -1 0 344.773 3.865 20 0 EHADRM Cc1nc2ccc(CN[C@H](C)c3ncc(C(=O)[O-])s3)cc2s1 ZINC000647650076 1016679362 /nfs/dbraw/zinc/67/93/62/1016679362.db2.gz HSUWAIHSNPITQD-MRVPVSSYSA-N -1 0 333.438 3.610 20 0 EHADRM Cc1ccc(C(C)C)cc1OCC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000236626529 1016686535 /nfs/dbraw/zinc/68/65/35/1016686535.db2.gz YBRYJAFEGDNDGQ-QGZVFWFLSA-N -1 0 347.455 3.743 20 0 EHADRM CC(C)c1ccc(OCCC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000236675662 1016701712 /nfs/dbraw/zinc/70/17/12/1016701712.db2.gz NEYFLTUMYWENJI-QGZVFWFLSA-N -1 0 347.455 3.825 20 0 EHADRM C[C@@H](c1cnn(C)c1)N(C)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000181383511 1016918352 /nfs/dbraw/zinc/91/83/52/1016918352.db2.gz KNWUHPLQMAWSQV-NSHDSACASA-N -1 0 343.814 3.766 20 0 EHADRM Cc1cc(C)c(-c2noc(-c3cc(Br)ccc3[O-])n2)cn1 ZINC000397406283 1016952762 /nfs/dbraw/zinc/95/27/62/1016952762.db2.gz IFJYBZRJTYPRPP-UHFFFAOYSA-N -1 0 346.184 3.884 20 0 EHADRM O=C(Nc1cc(Cl)cc(Br)c1[O-])c1ccncc1F ZINC000340334604 1016959795 /nfs/dbraw/zinc/95/97/95/1016959795.db2.gz LDUIMNUCZCVXHF-UHFFFAOYSA-N -1 0 345.555 3.595 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000659763167 1016980711 /nfs/dbraw/zinc/98/07/11/1016980711.db2.gz ATEBHIBVVATRKG-YXJHDRRASA-N -1 0 327.424 3.527 20 0 EHADRM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1CCC(C(=O)[O-])CC1 ZINC000659759701 1016981144 /nfs/dbraw/zinc/98/11/44/1016981144.db2.gz UJADZKIGMQUFNF-XUJLQICISA-N -1 0 337.847 3.668 20 0 EHADRM C[C@H](NC(=O)c1ccc(Cl)cc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655585318 1016984559 /nfs/dbraw/zinc/98/45/59/1016984559.db2.gz VIQFILRMBNLYBC-KPXOXKRLSA-N -1 0 344.238 3.859 20 0 EHADRM CCC(CC)[C@H](NC(=O)N(C)CCCC(=O)[O-])c1cccs1 ZINC000414615674 1017048443 /nfs/dbraw/zinc/04/84/43/1017048443.db2.gz PQZBGCOCHJHZDB-HNNXBMFYSA-N -1 0 326.462 3.732 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)NCCCCCC(=O)[O-] ZINC000414625324 1017067330 /nfs/dbraw/zinc/06/73/30/1017067330.db2.gz YUOKHPQIIWZWPU-OAHLLOKOSA-N -1 0 334.460 3.687 20 0 EHADRM CCC(CC)(C[N-]S(=O)(=O)[C@@H](C)C(F)(F)F)c1ccccc1 ZINC000545352149 1017234654 /nfs/dbraw/zinc/23/46/54/1017234654.db2.gz OUILHKSZNOODPL-LBPRGKRZSA-N -1 0 337.407 3.615 20 0 EHADRM CCc1ccc(O)c(C(=O)N2C[C@@H](C)OC[C@@H]2c2ccccc2)c1 ZINC000536724807 1032217096 /nfs/dbraw/zinc/21/70/96/1032217096.db2.gz PYYMNWNDKXJTJS-RDTXWAMCSA-N -1 0 325.408 3.557 20 0 EHADRM Cc1ccc(C(C)(C)CC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000449144882 1032248088 /nfs/dbraw/zinc/24/80/88/1032248088.db2.gz VDFSXGFCURXFKI-KRWDZBQOSA-N -1 0 331.456 3.909 20 0 EHADRM O=C([O-])CCCCCNC(=O)N1CCCC[C@H]1CCc1ccccc1 ZINC000414626240 1017077564 /nfs/dbraw/zinc/07/75/64/1017077564.db2.gz LRLBMYFAZNMBPR-SFHVURJKSA-N -1 0 346.471 3.828 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1C ZINC000538296905 1032278594 /nfs/dbraw/zinc/27/85/94/1032278594.db2.gz QMVYPJZGSFHFIG-AWEZNQCLSA-N -1 0 335.473 3.889 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CC[C@H](Nc2ccccc2)C1 ZINC000184371070 1032287285 /nfs/dbraw/zinc/28/72/85/1032287285.db2.gz TVUJVTSRTBYVTC-ZDUSSCGKSA-N -1 0 334.778 3.511 20 0 EHADRM Cc1cc(-c2csc(C3(C(=O)[O-])CCOCC3)n2)cc(C)c1F ZINC000905003412 1032316765 /nfs/dbraw/zinc/31/67/65/1032316765.db2.gz SCIAGLRLOMLWCT-UHFFFAOYSA-N -1 0 335.400 3.699 20 0 EHADRM Cc1cc(Cl)cnc1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000461225988 1032327979 /nfs/dbraw/zinc/32/79/79/1032327979.db2.gz LASUJWBCAKEGPH-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM C[C@@H]1C[C@@H](c2nc(=O)c3snc(-c4ccc(F)cc4)c3[n-]2)CCO1 ZINC000905030964 1032330748 /nfs/dbraw/zinc/33/07/48/1032330748.db2.gz CVPRMRSPMSDNKD-KOLCDFICSA-N -1 0 345.399 3.881 20 0 EHADRM Cc1cc(C(=O)NCc2c(C(=O)[O-])sc3ccsc32)oc1C ZINC000538471032 1032393959 /nfs/dbraw/zinc/39/39/59/1032393959.db2.gz YSZKPHCCWZNRIF-UHFFFAOYSA-N -1 0 335.406 3.801 20 0 EHADRM Cc1ccc2c(CC(=O)N[C@H](CC(=O)[O-])C3CCCCC3)coc2c1 ZINC000538504062 1032401669 /nfs/dbraw/zinc/40/16/69/1032401669.db2.gz AFGOQXIKMINJQG-QGZVFWFLSA-N -1 0 343.423 3.824 20 0 EHADRM CSc1ccc(C)c(C(=O)N[C@H](CC(=O)[O-])C2CCCCC2)c1 ZINC000538503939 1032403726 /nfs/dbraw/zinc/40/37/26/1032403726.db2.gz SYXUJBOBRBZUFR-MRXNPFEDSA-N -1 0 335.469 3.870 20 0 EHADRM C[C@@H](CNC(=O)CC1(C(=O)[O-])CCC1)c1ccc(C(F)(F)F)cc1 ZINC000262962492 1032404730 /nfs/dbraw/zinc/40/47/30/1032404730.db2.gz MDMBTEBNVHBLPD-NSHDSACASA-N -1 0 343.345 3.570 20 0 EHADRM C[C@H](CNC(=O)CC1(C(=O)[O-])CCC1)c1ccc(C(F)(F)F)cc1 ZINC000262962489 1032404863 /nfs/dbraw/zinc/40/48/63/1032404863.db2.gz MDMBTEBNVHBLPD-LLVKDONJSA-N -1 0 343.345 3.570 20 0 EHADRM C[S@](=O)(=NC(=O)c1ccc2oc(=S)[n-]c2c1)C1CCCCC1 ZINC000926032347 1017280736 /nfs/dbraw/zinc/28/07/36/1017280736.db2.gz VOKIEVPFMPYMBS-JOCHJYFZSA-N -1 0 338.454 3.687 20 0 EHADRM Cc1noc(C)c1NC(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000084388488 1032426690 /nfs/dbraw/zinc/42/66/90/1032426690.db2.gz XIRQVWDVBQAVPH-UHFFFAOYSA-N -1 0 340.383 3.558 20 0 EHADRM C/C=C\C[C@H](NC(=O)Nc1ccc2c(ccn2CCC)c1)C(=O)[O-] ZINC000579912006 1017099312 /nfs/dbraw/zinc/09/93/12/1017099312.db2.gz SDQONOKJUNLEGC-QTLSWZBMSA-N -1 0 329.400 3.592 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])C[C@@H]1O ZINC000089403370 1032527732 /nfs/dbraw/zinc/52/77/32/1032527732.db2.gz XYQDHAZSODWSFX-PXAZEXFGSA-N -1 0 345.826 3.556 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)[C@@H](C)S[C@H](C)C(=O)[O-])c1C ZINC000601990000 1032584060 /nfs/dbraw/zinc/58/40/60/1032584060.db2.gz FULWOZGLNGTOAA-FMKPAKJESA-N -1 0 335.469 3.562 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)Nc1cccc(CCC(F)(F)F)c1)C(=O)[O-] ZINC000601992519 1032584470 /nfs/dbraw/zinc/58/44/70/1032584470.db2.gz QWRLCCWXBNJFNG-UWVGGRQHSA-N -1 0 349.374 3.715 20 0 EHADRM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H](C)S[C@@H](C)C(=O)[O-] ZINC000601999345 1032586686 /nfs/dbraw/zinc/58/66/86/1032586686.db2.gz WEPCFYPXRHZYSR-WTTBNOFXSA-N -1 0 349.496 3.766 20 0 EHADRM O=C([O-])CCn1cc(-c2ccccc2OC2CCCCC2)ccc1=O ZINC000515433028 1032666443 /nfs/dbraw/zinc/66/64/43/1032666443.db2.gz PDZLOKMSRJXKND-UHFFFAOYSA-N -1 0 341.407 3.702 20 0 EHADRM CCC[C@@H](NC(=O)NCCC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000414623385 1017073252 /nfs/dbraw/zinc/07/32/52/1017073252.db2.gz XBHZAUNEKLSOBY-GFCCVEGCSA-N -1 0 333.215 3.609 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N(C)[C@@H]2CC[C@@H](C)C2)s1 ZINC000471340772 1017127966 /nfs/dbraw/zinc/12/79/66/1017127966.db2.gz NYSMBHYCZMWTEF-ZWNOBZJWSA-N -1 0 348.447 3.727 20 0 EHADRM CC[C@@H]1CC[C@H](C)N1C(=O)N=c1[n-]nc(-c2cc(F)ccc2C)s1 ZINC000471345435 1017136398 /nfs/dbraw/zinc/13/63/98/1017136398.db2.gz GMXSPSGVDBMDNR-WCQYABFASA-N -1 0 348.447 3.869 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)[C@@H](C(=O)[O-])C1 ZINC000128217198 1017138769 /nfs/dbraw/zinc/13/87/69/1017138769.db2.gz MMVFHUGCUJGTSN-PRHODGIISA-N -1 0 331.199 3.710 20 0 EHADRM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C(F)(F)F ZINC000683465804 1017231684 /nfs/dbraw/zinc/23/16/84/1017231684.db2.gz FZMCOEJOYJVRQD-NOZJJQNGSA-N -1 0 335.347 3.688 20 0 EHADRM CC(C)[C@@H](NC(=O)c1cc(F)c([O-])c(F)c1)c1nc2ccccc2[nH]1 ZINC000183403297 1017319595 /nfs/dbraw/zinc/31/95/95/1017319595.db2.gz YRWKGYPMNMKZTD-OAHLLOKOSA-N -1 0 345.349 3.674 20 0 EHADRM CC(C)(C)c1cnc(CN[C@@H](C(=O)[O-])c2cc(F)ccc2F)s1 ZINC000669471441 1032692532 /nfs/dbraw/zinc/69/25/32/1032692532.db2.gz JMFMMZJCZPMFGD-CQSZACIVSA-N -1 0 340.395 3.634 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC000325169625 1017362019 /nfs/dbraw/zinc/36/20/19/1017362019.db2.gz QRAQHKLMRCQYRN-LBPRGKRZSA-N -1 0 335.375 3.747 20 0 EHADRM CCOc1ccccc1[N-]S(=O)(=O)c1cccc2c(C)ccnc21 ZINC000547955161 1017593801 /nfs/dbraw/zinc/59/38/01/1017593801.db2.gz ONUSGXZPWKDSQF-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM CC(C)(C)c1coc([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)n1 ZINC000574149704 1032711762 /nfs/dbraw/zinc/71/17/62/1032711762.db2.gz QKPFWNBKSTZBJR-UHFFFAOYSA-N -1 0 338.360 3.658 20 0 EHADRM COc1ccc(/C=C\C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000206602876 1017719814 /nfs/dbraw/zinc/71/98/14/1017719814.db2.gz TUBYTRJTUGMDFG-WTKPLQERSA-N -1 0 331.755 3.699 20 0 EHADRM O=C(NCc1ccc(O)c(F)c1)Nc1ccccc1C(F)(F)F ZINC000121438097 1017724997 /nfs/dbraw/zinc/72/49/97/1017724997.db2.gz ACFHJVIUZMDFGW-UHFFFAOYSA-N -1 0 328.265 3.872 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1nc2c(s1)CCCC2(C)C ZINC000574128538 1032725997 /nfs/dbraw/zinc/72/59/97/1032725997.db2.gz YANPAPQIJCULSN-UHFFFAOYSA-N -1 0 342.511 3.928 20 0 EHADRM CC(=O)c1cc(F)c([N-]C(=O)c2nc3c(s2)CCC3)c(F)c1F ZINC000415396124 1017966259 /nfs/dbraw/zinc/96/62/59/1017966259.db2.gz NMNMQSMTLLXNGH-UHFFFAOYSA-N -1 0 340.326 3.504 20 0 EHADRM Cc1cc(Nc2cn3cc(Br)ccc3n2)ccc1C(=O)[O-] ZINC001211650081 1017970943 /nfs/dbraw/zinc/97/09/43/1017970943.db2.gz ODDQQZSZJFOCMQ-UHFFFAOYSA-N -1 0 346.184 3.847 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1nc(C2CCC2)cs1 ZINC000683718402 1018144416 /nfs/dbraw/zinc/14/44/16/1018144416.db2.gz BVODUASTGXCXHE-UHFFFAOYSA-N -1 0 326.418 3.659 20 0 EHADRM CC(C)OCc1cccc(-c2cc3c(cc2CC(=O)[O-])OCCO3)c1 ZINC000565235942 1018243374 /nfs/dbraw/zinc/24/33/74/1018243374.db2.gz KSBINFJRPRNHMY-UHFFFAOYSA-N -1 0 342.391 3.677 20 0 EHADRM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cc(C)c(F)cc2F)n[nH]1 ZINC000471501986 1018364277 /nfs/dbraw/zinc/36/42/77/1018364277.db2.gz ZQYJUNURSQKGJW-VIFPVBQESA-N -1 0 343.399 3.701 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2nnc(-c3ccco3)s2)c(C)c1 ZINC000471504857 1018383000 /nfs/dbraw/zinc/38/30/00/1018383000.db2.gz WJBRXOADHAXRPC-UHFFFAOYSA-N -1 0 349.437 3.524 20 0 EHADRM COc1cc(C(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)cc(OC)c1O ZINC000163808507 1018528408 /nfs/dbraw/zinc/52/84/08/1018528408.db2.gz XYYBIGDYICBVJZ-OCCSQVGLSA-N -1 0 345.395 3.616 20 0 EHADRM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000473504022 1019062491 /nfs/dbraw/zinc/06/24/91/1019062491.db2.gz NRVWKZVUXCTVCK-UHFFFAOYSA-N -1 0 331.846 3.828 20 0 EHADRM Cc1ccc(NCc2cnn(Cc3ccc(F)cc3)c2)cc1C(=O)[O-] ZINC000340672451 1019147413 /nfs/dbraw/zinc/14/74/13/1019147413.db2.gz ACRNHOJMVKVUDP-UHFFFAOYSA-N -1 0 339.370 3.689 20 0 EHADRM CSc1cc2c(cc1CNc1ccc(C)c(C(=O)[O-])c1)OCCO2 ZINC000340672066 1019147424 /nfs/dbraw/zinc/14/74/24/1019147424.db2.gz SCRGITXIFHAQJK-UHFFFAOYSA-N -1 0 345.420 3.798 20 0 EHADRM Cc1cc(C)c(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)c(C)c1 ZINC001167933750 1019174470 /nfs/dbraw/zinc/17/44/70/1019174470.db2.gz CBOKDTLXSWYYEK-UHFFFAOYSA-N -1 0 331.352 3.697 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N[C@]2(C)CCCC[C@@H]2C)n1 ZINC001625864752 1019323157 /nfs/dbraw/zinc/32/31/57/1019323157.db2.gz ZNPCKBVWTSFYDQ-VBKZILBWSA-N -1 0 341.455 3.839 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000261694242 1019367241 /nfs/dbraw/zinc/36/72/41/1019367241.db2.gz JGRGTXVKAKOZEF-MNOVXSKESA-N -1 0 325.792 3.568 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCCN1Cc1ccc(Br)c(Cl)c1 ZINC000263100367 1019501402 /nfs/dbraw/zinc/50/14/02/1019501402.db2.gz WOASDKRYDIFVNB-MWLCHTKSSA-N -1 0 346.652 3.788 20 0 EHADRM C[C@@]1(NC(=O)c2ccc(C(F)F)cc2F)CCCC[C@H]1C(=O)[O-] ZINC000656238716 1019524152 /nfs/dbraw/zinc/52/41/52/1019524152.db2.gz RXJPDBUTMIQCBH-MEDUHNTESA-N -1 0 329.318 3.527 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N[C@H](CCc1ccccc1)c1ccccc1 ZINC000262129526 1019543564 /nfs/dbraw/zinc/54/35/64/1019543564.db2.gz NWAKCRRCQJVBGZ-GUDVDZBRSA-N -1 0 337.419 3.588 20 0 EHADRM CCC[C@H](NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000262146700 1019549105 /nfs/dbraw/zinc/54/91/05/1019549105.db2.gz OYLQBZMWGRKTGQ-RDBSUJKOSA-N -1 0 343.345 3.774 20 0 EHADRM Cc1c2ccccc2oc1[C@H](NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-])C(C)C ZINC000262238086 1019569575 /nfs/dbraw/zinc/56/95/75/1019569575.db2.gz VYTULPVDNHIYJA-IJEWVQPXSA-N -1 0 329.396 3.665 20 0 EHADRM COc1cc(NC(=O)CC2(C(=O)[O-])CCC2)c(C2CC2)cc1Cl ZINC000656249139 1019589145 /nfs/dbraw/zinc/58/91/45/1019589145.db2.gz QLHOGQJQJSPJNZ-UHFFFAOYSA-N -1 0 337.803 3.810 20 0 EHADRM Cc1cc(F)c(S(=O)(=O)[N-]c2ncc(C(C)(C)C)s2)cc1F ZINC000476095076 1032844583 /nfs/dbraw/zinc/84/45/83/1032844583.db2.gz DJNIZRGTYMMDJL-UHFFFAOYSA-N -1 0 346.424 3.828 20 0 EHADRM Cc1cc(-c2ccc(CCC(=O)[O-])cc2)ccc1O[C@@H]1CCOC1 ZINC000580570927 1019664227 /nfs/dbraw/zinc/66/42/27/1019664227.db2.gz RAUZTRMJURHCJJ-GOSISDBHSA-N -1 0 326.392 3.847 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)C(C)(C)C2CCC2)s1 ZINC000408499605 1019666230 /nfs/dbraw/zinc/66/62/30/1019666230.db2.gz VNFHBRZEFLNUPF-UHFFFAOYSA-N -1 0 343.514 3.677 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)CC/C=C\c2ccccc2)c(C)c1 ZINC000255217093 1019683269 /nfs/dbraw/zinc/68/32/69/1019683269.db2.gz MGXVZUCZUQEENK-POHAHGRESA-N -1 0 343.448 3.602 20 0 EHADRM Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000262671829 1019702279 /nfs/dbraw/zinc/70/22/79/1019702279.db2.gz RKLFPJSKOLBGRP-PMPSAXMXSA-N -1 0 343.448 3.567 20 0 EHADRM CSCc1cccc(NC(=O)c2nn(-c3ccccc3)cc2[O-])c1 ZINC000580611381 1019743213 /nfs/dbraw/zinc/74/32/13/1019743213.db2.gz XHZPMACCNYTTNK-UHFFFAOYSA-N -1 0 339.420 3.693 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)CC2CC(c3ccccc3)C2)C1 ZINC000262966475 1019779201 /nfs/dbraw/zinc/77/92/01/1019779201.db2.gz MLNPXFRZWVGLHV-MKJPBZQASA-N -1 0 329.440 3.530 20 0 EHADRM CCC[C@H](CNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)C(=O)[O-] ZINC000263071932 1019806362 /nfs/dbraw/zinc/80/63/62/1019806362.db2.gz CFLIOMKBTPFIEP-MRVPVSSYSA-N -1 0 343.210 3.705 20 0 EHADRM CC(C)C1(c2ccccc2)CN(C(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000413977181 1019817603 /nfs/dbraw/zinc/81/76/03/1019817603.db2.gz AIMKGSWHKGNZDZ-UHFFFAOYSA-N -1 0 349.352 3.859 20 0 EHADRM CCC[C@@H](CNC(=O)c1occc1CSc1ccccc1)C(=O)[O-] ZINC000263199352 1019837234 /nfs/dbraw/zinc/83/72/34/1019837234.db2.gz NLJFRXUUOCPLBL-ZDUSSCGKSA-N -1 0 347.436 3.803 20 0 EHADRM O=C(Nc1cc(Cl)cc(Br)c1[O-])[C@H]1C[C@@H]1C(F)F ZINC000513627052 1019903321 /nfs/dbraw/zinc/90/33/21/1019903321.db2.gz JUHUSTIDJCTHNX-WDSKDSINSA-N -1 0 340.551 3.648 20 0 EHADRM C[C@H](NC(=O)c1ccc(CSc2ccccc2)cc1)[C@H](C)C(=O)[O-] ZINC000263459922 1019910181 /nfs/dbraw/zinc/91/01/81/1019910181.db2.gz PTYYLSKZLCRLLH-KBPBESRZSA-N -1 0 343.448 3.818 20 0 EHADRM COc1cc(C)ccc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000055664025 1020126908 /nfs/dbraw/zinc/12/69/08/1020126908.db2.gz MRPGDJGWNNIJFY-UHFFFAOYSA-N -1 0 345.342 3.823 20 0 EHADRM O=C(Nc1ccc(OC(F)(F)F)cc1)c1s[n-]c(=O)c1Cl ZINC000580905789 1020213216 /nfs/dbraw/zinc/21/32/16/1020213216.db2.gz QZTWUCXSTLHKRH-UHFFFAOYSA-N -1 0 338.694 3.653 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(SC)c2)s1 ZINC000414388556 1020357571 /nfs/dbraw/zinc/35/75/71/1020357571.db2.gz MIKQBBVKRREDNX-UHFFFAOYSA-N -1 0 343.495 3.842 20 0 EHADRM CCc1ccc(S(=O)(=O)C=C([O-])c2c(C)[nH]c3ccccc32)cc1 ZINC000340844349 1020401538 /nfs/dbraw/zinc/40/15/38/1020401538.db2.gz RJONEWNSUNVBMJ-UHFFFAOYSA-N -1 0 341.432 3.695 20 0 EHADRM CO[C@@H](C)c1nc(C)c(C(=O)Nc2cc(Cl)c([O-])cc2F)s1 ZINC000345658543 1020430066 /nfs/dbraw/zinc/43/00/66/1020430066.db2.gz PBUCQQGEAOBIOW-ZETCQYMHSA-N -1 0 344.795 3.909 20 0 EHADRM O=C([O-])c1cccc(C(=O)N(Cc2ccsc2)c2ccccc2)n1 ZINC000345775238 1020503713 /nfs/dbraw/zinc/50/37/13/1020503713.db2.gz BSGYLIFIDBPFOR-UHFFFAOYSA-N -1 0 338.388 3.688 20 0 EHADRM O=C([O-])CC1CCN(C(=O)c2ccc(OC3CCCCC3)cc2)CC1 ZINC000345811159 1020519914 /nfs/dbraw/zinc/51/99/14/1020519914.db2.gz WCDCUATVDUDLLT-UHFFFAOYSA-N -1 0 345.439 3.725 20 0 EHADRM CSc1cccc(NC(=O)N=c2[n-]nc(-c3ccccc3)s2)c1 ZINC000548155186 1020528814 /nfs/dbraw/zinc/52/88/14/1020528814.db2.gz XXXSABVYZKVELO-UHFFFAOYSA-N -1 0 342.449 3.993 20 0 EHADRM COc1cc(C(=O)Nc2nc(-c3ccc[nH]3)cs2)cc(Cl)c1O ZINC000340906624 1020580003 /nfs/dbraw/zinc/58/00/03/1020580003.db2.gz ABBAOXYTJUYBRY-UHFFFAOYSA-N -1 0 349.799 3.758 20 0 EHADRM Cc1ccccc1-c1n[n-]c(=NCc2cccc(OC(F)(F)F)c2)o1 ZINC000581282552 1020626658 /nfs/dbraw/zinc/62/66/58/1020626658.db2.gz AAYUIJTUEGKATM-UHFFFAOYSA-N -1 0 349.312 3.978 20 0 EHADRM CC(C)(C)c1ccccc1C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000123678319 1020641348 /nfs/dbraw/zinc/64/13/48/1020641348.db2.gz CQVSYSWTWAVIBM-UHFFFAOYSA-N -1 0 337.379 3.580 20 0 EHADRM Cc1cc(Cl)c2ccccc2c1NC(=O)C[C@]1(C(=O)[O-])CCOC1 ZINC000656482453 1020701001 /nfs/dbraw/zinc/70/10/01/1020701001.db2.gz HLVHXYARMBPKIV-GOSISDBHSA-N -1 0 347.798 3.622 20 0 EHADRM O=C([O-])[C@H](CC(F)(F)F)NC(=O)Nc1ccc2c(c1)C=CCCC2 ZINC000656506184 1020765674 /nfs/dbraw/zinc/76/56/74/1020765674.db2.gz KPOFZVHXQAALSU-ZDUSSCGKSA-N -1 0 342.317 3.563 20 0 EHADRM CC(C)(C)CCOc1cnccc1CN=c1[n-]nc(C2CC2)s1 ZINC000340991937 1020783091 /nfs/dbraw/zinc/78/30/91/1020783091.db2.gz ZLFDWXQWCAMDSJ-UHFFFAOYSA-N -1 0 332.473 3.660 20 0 EHADRM O=C([O-])Cc1cc(Cl)ccc1-c1cccc(CO[C@H]2CCOC2)c1 ZINC000581439858 1020917961 /nfs/dbraw/zinc/91/79/61/1020917961.db2.gz LISDXGWOAHUQMO-KRWDZBQOSA-N -1 0 346.810 3.940 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)N[C@H]1CCC[C@H](C)C1 ZINC000581465902 1020936727 /nfs/dbraw/zinc/93/67/27/1020936727.db2.gz SELZSDRYBBMKTK-BHYGNILZSA-N -1 0 332.444 3.813 20 0 EHADRM Cc1nc2cc(NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])ccc2o1 ZINC000581466660 1020937562 /nfs/dbraw/zinc/93/75/62/1020937562.db2.gz AIBALPPRWXUDCF-LBPRGKRZSA-N -1 0 333.388 3.537 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)Nc2nc(C3CCC3)cs2)CC1 ZINC000656603582 1020990328 /nfs/dbraw/zinc/99/03/28/1020990328.db2.gz PPQLUISHRURCBQ-UHFFFAOYSA-N -1 0 337.445 3.519 20 0 EHADRM CO[C@@H](CS(=O)(=O)[N-]c1ncsc1C(C)C)C1CCCCC1 ZINC000656628951 1021064112 /nfs/dbraw/zinc/06/41/12/1021064112.db2.gz HEKXMJHIZMQFQW-ZDUSSCGKSA-N -1 0 346.518 3.604 20 0 EHADRM CN(CC1(O)CCCCCC1)C(=O)c1cc(O)c2ccccc2c1 ZINC000684298954 1021064676 /nfs/dbraw/zinc/06/46/76/1021064676.db2.gz RAIXSPLMDGSIFJ-UHFFFAOYSA-N -1 0 327.424 3.703 20 0 EHADRM Cc1ccc2cccnc2c1S(=O)(=O)[N-]C(=O)CCCC(C)(C)C ZINC000785050210 1021152375 /nfs/dbraw/zinc/15/23/75/1021152375.db2.gz AJLDDDMIKPHZDQ-UHFFFAOYSA-N -1 0 348.468 3.565 20 0 EHADRM CCCCC[C@H]1CCCN1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000427203522 1021211174 /nfs/dbraw/zinc/21/11/74/1021211174.db2.gz JPWQALZVYMZKEC-AWEZNQCLSA-N -1 0 345.418 3.902 20 0 EHADRM CC(C)Cc1ccc([C@H](NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])C(C)C)cc1 ZINC000507362159 1021218961 /nfs/dbraw/zinc/21/89/61/1021218961.db2.gz XFOWDRIROFPWHT-KZNAEPCWSA-N -1 0 331.456 3.809 20 0 EHADRM Cc1ccnc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1C1CC1 ZINC000656739162 1021235359 /nfs/dbraw/zinc/23/53/59/1021235359.db2.gz UZBTVDTVSYQXST-UHFFFAOYSA-N -1 0 340.807 3.861 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@H]2CCCC[C@H]2c2ccccc2)CCCC1 ZINC000516281973 1021245382 /nfs/dbraw/zinc/24/53/82/1021245382.db2.gz FCUAVUVFXPVHEQ-IRXDYDNUSA-N -1 0 329.440 3.864 20 0 EHADRM CN(CC1(O)CCCCCC1)C(=O)c1c([O-])cc(Cl)cc1Cl ZINC000436832251 1021265016 /nfs/dbraw/zinc/26/50/16/1021265016.db2.gz IGTOHEHPFFPWPZ-UHFFFAOYSA-N -1 0 346.254 3.856 20 0 EHADRM CSc1ccccc1S(=O)(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000581648475 1021265893 /nfs/dbraw/zinc/26/58/93/1021265893.db2.gz AVRGJGCDPZNVTR-CQSZACIVSA-N -1 0 349.477 3.713 20 0 EHADRM O=C(Nc1nc2cc(F)ccc2[nH]1)c1c([O-])cc(Cl)cc1Cl ZINC000436821623 1021274458 /nfs/dbraw/zinc/27/44/58/1021274458.db2.gz LZJDFEBHLKPZOG-UHFFFAOYSA-N -1 0 340.141 3.967 20 0 EHADRM CCOC(=O)[C@H](CCC(C)(C)C)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000436840703 1021285124 /nfs/dbraw/zinc/28/51/24/1021285124.db2.gz STGWLIVIZJKVFW-ZDUSSCGKSA-N -1 0 341.835 3.533 20 0 EHADRM CC(C)Oc1ccccc1C[N@@H+]1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000656766417 1021299361 /nfs/dbraw/zinc/29/93/61/1021299361.db2.gz RMSZUMUEXGKCIG-FGTMMUONSA-N -1 0 331.456 3.939 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]C(=O)c2cccc3ccccc32)cc1 ZINC000048582923 1021303331 /nfs/dbraw/zinc/30/33/31/1021303331.db2.gz UCMRBEYNGLUJFO-UHFFFAOYSA-N -1 0 341.388 3.542 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)c1 ZINC000436868722 1021307615 /nfs/dbraw/zinc/30/76/15/1021307615.db2.gz IIMOKIWZGPLROX-TZMCWYRMSA-N -1 0 331.318 3.615 20 0 EHADRM COc1cccc(/C=C/c2nc3ccc(C(=O)[O-])cc3o2)c1OC ZINC000439273652 1021309184 /nfs/dbraw/zinc/30/91/84/1021309184.db2.gz MJOXAOOARLERBB-VQHVLOKHSA-N -1 0 325.320 3.714 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)c3c([O-])cccc3F)cc2Cl)n[nH]1 ZINC000436893652 1021323401 /nfs/dbraw/zinc/32/34/01/1021323401.db2.gz OLXZIASDLJZRBS-UHFFFAOYSA-N -1 0 346.749 3.531 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CCO1 ZINC000436894964 1021325025 /nfs/dbraw/zinc/32/50/25/1021325025.db2.gz SNKYBHHXNRHJSA-INIZCTEOSA-N -1 0 333.815 3.696 20 0 EHADRM CCC[C@H]1SCCN1C(=O)c1cc(F)cc(Br)c1[O-] ZINC000436890243 1021341737 /nfs/dbraw/zinc/34/17/37/1021341737.db2.gz SSMGDCKGEGUTFR-LLVKDONJSA-N -1 0 348.237 3.609 20 0 EHADRM CC(=O)c1cc([N-]S(=O)(=O)c2cc(C)c(Cl)s2)ccc1F ZINC000507566361 1021365675 /nfs/dbraw/zinc/36/56/75/1021365675.db2.gz NZNORZWNICVBMX-UHFFFAOYSA-N -1 0 347.820 3.852 20 0 EHADRM Cc1ccc(F)cc1C(=O)Nc1n[nH]c(-c2ccc(O)c(Cl)c2)n1 ZINC000436914492 1021370290 /nfs/dbraw/zinc/37/02/90/1021370290.db2.gz JPRVOUTYSFJCCQ-UHFFFAOYSA-N -1 0 346.749 3.531 20 0 EHADRM CCc1c(NC(=O)c2ccc([O-])c(Cl)c2)onc1C(F)(F)F ZINC000436913384 1021370657 /nfs/dbraw/zinc/37/06/57/1021370657.db2.gz VLJDVAGFWDHBEN-UHFFFAOYSA-N -1 0 334.681 3.867 20 0 EHADRM O=C(Nc1nnc(-c2ccco2)s1)c1cc(F)c([O-])c(Cl)c1 ZINC000436917550 1021374196 /nfs/dbraw/zinc/37/41/96/1021374196.db2.gz ZSBSXJMPUBMPSW-UHFFFAOYSA-N -1 0 339.735 3.549 20 0 EHADRM Cc1c(NC(=O)c2ccc(F)cc2[O-])cnn1-c1ccc(Cl)cc1 ZINC000436923310 1021381350 /nfs/dbraw/zinc/38/13/50/1021381350.db2.gz BONVTSQFUSINAE-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM COC[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1cccc(Cl)c1 ZINC000436936991 1021399485 /nfs/dbraw/zinc/39/94/85/1021399485.db2.gz HAYWFKIPWOSFDM-AWEZNQCLSA-N -1 0 340.206 3.817 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCc2c(F)ccc(F)c2C1 ZINC000436941977 1021404192 /nfs/dbraw/zinc/40/41/92/1021404192.db2.gz HEUUEWPJKZCCFF-UHFFFAOYSA-N -1 0 341.716 3.661 20 0 EHADRM C[C@H](NC(=O)C12CCC(C(=O)[O-])(CC1)CC2)[C@@H](C)c1ccccc1 ZINC000909410190 1021405279 /nfs/dbraw/zinc/40/52/79/1021405279.db2.gz DPINMMPJEYUGLI-IDBCUWONSA-N -1 0 329.440 3.720 20 0 EHADRM CC(C)Cc1ccc(CC(=O)[N-]S(=O)(=O)Cc2ccccc2)cc1 ZINC000048596145 1021419032 /nfs/dbraw/zinc/41/90/32/1021419032.db2.gz UIRVROSQZQYBNE-UHFFFAOYSA-N -1 0 345.464 3.914 20 0 EHADRM C[C@H]1CCN(C(=O)Cc2cccc(C(=O)[O-])c2)[C@H]1c1cccc(F)c1 ZINC000262072515 1021420827 /nfs/dbraw/zinc/42/08/27/1021420827.db2.gz DBOPGOOYOQSAHX-ORAYPTAESA-N -1 0 341.382 3.676 20 0 EHADRM O=C(NCc1cccc(-c2ncc[nH]2)c1)c1cc(F)c([O-])c(Cl)c1 ZINC000436991287 1021445983 /nfs/dbraw/zinc/44/59/83/1021445983.db2.gz REJUSHQKSKWINV-UHFFFAOYSA-N -1 0 345.761 3.505 20 0 EHADRM C[C@@H]1COc2ccccc2CN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436996450 1021450273 /nfs/dbraw/zinc/45/02/73/1021450273.db2.gz CDIFQOPGPLQOES-SNVBAGLBSA-N -1 0 335.762 3.608 20 0 EHADRM O=C(NCCc1ccc(F)c(F)c1F)c1cc(F)c([O-])c(Cl)c1 ZINC000437002920 1021460507 /nfs/dbraw/zinc/46/05/07/1021460507.db2.gz NTAVFRCJGPJMQK-UHFFFAOYSA-N -1 0 347.695 3.575 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)c(F)c1 ZINC000607102715 1032985935 /nfs/dbraw/zinc/98/59/35/1032985935.db2.gz CPURKNZXOLGEIF-UHFFFAOYSA-N -1 0 335.400 3.724 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)NCc1ccc(C)s1 ZINC000519618661 1021574820 /nfs/dbraw/zinc/57/48/20/1021574820.db2.gz VPCCFRCIYVWLOB-INIZCTEOSA-N -1 0 346.452 3.804 20 0 EHADRM C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000048616423 1021576204 /nfs/dbraw/zinc/57/62/04/1021576204.db2.gz BJJZFVCSDFPDHT-LLVKDONJSA-N -1 0 339.363 3.804 20 0 EHADRM CCC(CC)c1nnc([N-]S(=O)(=O)c2cc(C)ccc2C)s1 ZINC000437175294 1021612667 /nfs/dbraw/zinc/61/26/67/1021612667.db2.gz GGIWEVMWTSGOKL-UHFFFAOYSA-N -1 0 339.486 3.859 20 0 EHADRM Cc1cnc(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)c([O-])c1 ZINC000426450536 1021617464 /nfs/dbraw/zinc/61/74/64/1021617464.db2.gz NATZCBVMAMLZGN-UHFFFAOYSA-N -1 0 335.363 3.880 20 0 EHADRM Cc1cc(C(=O)Nc2cc(-c3n[nH]c(=O)[n-]3)ccc2C)ccc1Cl ZINC000516666107 1021634971 /nfs/dbraw/zinc/63/49/71/1021634971.db2.gz GTWODVVUSLCZNE-UHFFFAOYSA-N -1 0 342.786 3.700 20 0 EHADRM Cc1ccc(NC(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])cc1 ZINC000519802728 1021693007 /nfs/dbraw/zinc/69/30/07/1021693007.db2.gz GNQFOBSTGUNLJL-RDJZCZTQSA-N -1 0 330.428 3.882 20 0 EHADRM CC(C)c1ccc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2)cc1 ZINC000437312641 1021734459 /nfs/dbraw/zinc/73/44/59/1021734459.db2.gz PFWOEAABAXUGMP-UHFFFAOYSA-N -1 0 341.436 3.797 20 0 EHADRM Cc1sc(N2CCC[C@@H]2c2cccc(N(C)C)c2)nc1C(=O)[O-] ZINC000518984952 1021741357 /nfs/dbraw/zinc/74/13/57/1021741357.db2.gz KGZTUORWLJAHDY-CQSZACIVSA-N -1 0 331.441 3.557 20 0 EHADRM Cc1cc(NS(=O)(=O)c2ccc(F)c(F)c2)c2cccnc2c1C ZINC000437332035 1021742687 /nfs/dbraw/zinc/74/26/87/1021742687.db2.gz YREWAVHLKSARIZ-UHFFFAOYSA-N -1 0 348.374 3.931 20 0 EHADRM Cc1cc(C)c(CSc2n[n-]c(=NC[C@@H]3CCCO3)s2)c(C)c1 ZINC000519947010 1021788825 /nfs/dbraw/zinc/78/88/25/1021788825.db2.gz ZPDFWQFWDLPZSK-AWEZNQCLSA-N -1 0 349.525 3.768 20 0 EHADRM COc1cc(C(=O)N[C@H]2C[C@H](c3ccccc3)C2)cc(Cl)c1O ZINC000437396513 1021794493 /nfs/dbraw/zinc/79/44/93/1021794493.db2.gz QFDYSQQDTWCLMG-MQMHXKEQSA-N -1 0 331.799 3.730 20 0 EHADRM CCn1nccc1[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000439884596 1021798293 /nfs/dbraw/zinc/79/82/93/1021798293.db2.gz VOLIWTRBYNLLQT-UHFFFAOYSA-N -1 0 335.816 3.510 20 0 EHADRM Cc1ccc(C[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C2CCCCC2)cc1 ZINC000439902667 1021800328 /nfs/dbraw/zinc/80/03/28/1021800328.db2.gz NGSWXEFFZCQFHJ-QAPCUYQASA-N -1 0 331.456 3.713 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2nc(C)cs2)c2ccccc12 ZINC000098037121 1021821915 /nfs/dbraw/zinc/82/19/15/1021821915.db2.gz XOPLTZJDOCHZSC-UHFFFAOYSA-N -1 0 348.449 3.804 20 0 EHADRM CCc1cc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])oc1CC ZINC000439940522 1021834594 /nfs/dbraw/zinc/83/45/94/1021834594.db2.gz WLUMUPNGUAETBU-AWEZNQCLSA-N -1 0 343.423 3.768 20 0 EHADRM Cc1nn(C(C)C)cc1CN=c1[n-]nc(C[C@@H](C)CC(C)(C)C)o1 ZINC000341426026 1021844293 /nfs/dbraw/zinc/84/42/93/1021844293.db2.gz OHFDYHFKLSEGRR-CYBMUJFWSA-N -1 0 333.480 3.804 20 0 EHADRM CCCCOc1ccc(CN=c2nc(C3CC3)[n-]s2)cc1OC ZINC000426545926 1021876793 /nfs/dbraw/zinc/87/67/93/1021876793.db2.gz SWPDCGBGEHPPFQ-UHFFFAOYSA-N -1 0 333.457 3.637 20 0 EHADRM CSc1nc(=NC(=O)c2cc3c(ccc4ccccc34)[nH]2)s[n-]1 ZINC000440083242 1021938173 /nfs/dbraw/zinc/93/81/73/1021938173.db2.gz SSOORRQJHBDABZ-UHFFFAOYSA-N -1 0 340.433 3.569 20 0 EHADRM Cc1ccccc1COc1cccc([N-]S(=O)(=O)c2ccco2)c1 ZINC000437663040 1022037102 /nfs/dbraw/zinc/03/71/02/1022037102.db2.gz PWWOOLQOAKVKHM-UHFFFAOYSA-N -1 0 343.404 3.968 20 0 EHADRM O=S(=O)([N-]c1ccccc1-c1nc2ccccc2[nH]1)c1ccco1 ZINC000437660769 1022038399 /nfs/dbraw/zinc/03/83/99/1022038399.db2.gz LDDVRCSJKUDYJL-UHFFFAOYSA-N -1 0 339.376 3.624 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1ccco1 ZINC000437667468 1022040440 /nfs/dbraw/zinc/04/04/40/1022040440.db2.gz PEPAVFKFZIPMDY-UHFFFAOYSA-N -1 0 325.695 3.753 20 0 EHADRM CCC[C@@H](CC)S(=O)(=O)Nc1ccc(F)cc1-c1nnc(C)o1 ZINC000517155048 1022078311 /nfs/dbraw/zinc/07/83/11/1022078311.db2.gz XKCCIJRMGNMEDY-GFCCVEGCSA-N -1 0 341.408 3.505 20 0 EHADRM O=C([O-])c1csc(CNCc2ccc(-c3ccccc3F)o2)n1 ZINC000426638278 1022119579 /nfs/dbraw/zinc/11/95/79/1022119579.db2.gz IQWWXNLIUSYZSC-UHFFFAOYSA-N -1 0 332.356 3.530 20 0 EHADRM CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000550323510 1022199596 /nfs/dbraw/zinc/19/95/96/1022199596.db2.gz FCGIHEWJTCGQJA-CJNGLKHVSA-N -1 0 345.418 3.758 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2cc(F)nc(F)c2)c2ccccc21 ZINC001213082142 1022264441 /nfs/dbraw/zinc/26/44/41/1022264441.db2.gz BAANCYRDYHPRIB-UHFFFAOYSA-N -1 0 336.319 3.503 20 0 EHADRM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)N=c2[n-]nc(C3CC3)s2)o1 ZINC000517461749 1022359710 /nfs/dbraw/zinc/35/97/10/1022359710.db2.gz PBWUABNZEOPYKS-GXFFZTMASA-N -1 0 346.456 3.744 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)N=c2[n-]nc(C3CC3)s2)o1 ZINC000517461745 1022360409 /nfs/dbraw/zinc/36/04/09/1022360409.db2.gz PBWUABNZEOPYKS-GWCFXTLKSA-N -1 0 346.456 3.744 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cc1O)c1cc(Cl)sc1Cl ZINC000111058750 1022410770 /nfs/dbraw/zinc/41/07/70/1022410770.db2.gz NCVKJLMLWBPXKL-UHFFFAOYSA-N -1 0 342.200 3.700 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655578499 1022490994 /nfs/dbraw/zinc/49/09/94/1022490994.db2.gz BIVPWSBSAGBANY-DFEHZGFQSA-N -1 0 345.483 3.994 20 0 EHADRM Fc1ccc(OCc2ccc(CN=c3[n-]nc(C4CC4)o3)cc2)cc1 ZINC000645326253 1022564811 /nfs/dbraw/zinc/56/48/11/1022564811.db2.gz KTFHLKQISQESFE-UHFFFAOYSA-N -1 0 339.370 3.699 20 0 EHADRM CN(Cc1cccc2ccccc21)C(=O)c1s[n-]c(=O)c1Cl ZINC000550148060 1022588567 /nfs/dbraw/zinc/58/85/67/1022588567.db2.gz LCMQUZKWGWNGMC-UHFFFAOYSA-N -1 0 332.812 3.928 20 0 EHADRM CSc1ccncc1[N-]C(=S)N[C@H]1CCc2ccccc2C1 ZINC000749898835 1033069465 /nfs/dbraw/zinc/06/94/65/1033069465.db2.gz VXGUACOCQCAIMW-AWEZNQCLSA-N -1 0 329.494 3.647 20 0 EHADRM COc1cccc(-c2noc(-c3ccc(Br)cc3[O-])n2)c1 ZINC000111687701 1022704497 /nfs/dbraw/zinc/70/44/97/1022704497.db2.gz FYMUELDOFOSAOB-UHFFFAOYSA-N -1 0 347.168 3.880 20 0 EHADRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C)cc2Cl)c1C ZINC000331126732 1022750150 /nfs/dbraw/zinc/75/01/50/1022750150.db2.gz ZCDSMACSCWDFDT-LLVKDONJSA-N -1 0 341.864 3.925 20 0 EHADRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(C)c(Cl)s2)c1C ZINC000331091520 1022750941 /nfs/dbraw/zinc/75/09/41/1022750941.db2.gz IGDAEEUYBZSKLH-VIFPVBQESA-N -1 0 347.893 3.987 20 0 EHADRM C[C@H]1CC(CNC(=O)c2c([O-])cc(Cl)cc2Cl)C[C@H](C)O1 ZINC000334087743 1022849635 /nfs/dbraw/zinc/84/96/35/1022849635.db2.gz ODGQGKWQHPULSK-IUCAKERBSA-N -1 0 332.227 3.632 20 0 EHADRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2ccccc2n1 ZINC000517944035 1022871190 /nfs/dbraw/zinc/87/11/90/1022871190.db2.gz OXBMBYKVHYZRAD-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM CCc1ccc(CN(C)C(=O)c2cccc(Br)c2[O-])cc1 ZINC000518030036 1022942443 /nfs/dbraw/zinc/94/24/43/1022942443.db2.gz KXBNKROSJGEHOW-UHFFFAOYSA-N -1 0 348.240 3.989 20 0 EHADRM CSCc1cccc(CNC(=O)c2cc(F)c(F)c([O-])c2F)c1 ZINC000189301889 1022996603 /nfs/dbraw/zinc/99/66/03/1022996603.db2.gz LMUFNFYSSVPKNV-UHFFFAOYSA-N -1 0 341.354 3.603 20 0 EHADRM O=C(N[C@@H]1CC[C@@H](Cc2ccccc2)C1)c1cc(F)c(F)c([O-])c1F ZINC000189339452 1023010568 /nfs/dbraw/zinc/01/05/68/1023010568.db2.gz AWZQOMRWQITTEX-QWHCGFSZSA-N -1 0 349.352 3.951 20 0 EHADRM Cc1ccc(NS(=O)(=O)c2ccc(C(=O)C(C)C)cc2)cc1C ZINC000438814884 1023011635 /nfs/dbraw/zinc/01/16/35/1023011635.db2.gz OIRCJGPZMSLWCH-UHFFFAOYSA-N -1 0 331.437 3.943 20 0 EHADRM CO[C@@H](C)c1nc(=NCC(C)(C)c2c(F)cccc2Cl)s[n-]1 ZINC000509547641 1023024625 /nfs/dbraw/zinc/02/46/25/1023024625.db2.gz ASDFONXPJOCPBR-VIFPVBQESA-N -1 0 343.855 3.850 20 0 EHADRM O=S(=O)([N-]c1ccccc1O)c1ccc(Cl)c(F)c1Cl ZINC000189474366 1023036216 /nfs/dbraw/zinc/03/62/16/1023036216.db2.gz SSADSFFRBSMTKP-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM COc1ccc2nc(CN[C@@H](CC(=O)[O-])c3ccc(C)o3)sc2c1 ZINC000426806893 1023046914 /nfs/dbraw/zinc/04/69/14/1023046914.db2.gz DPKSJVSTELLXSC-ZDUSSCGKSA-N -1 0 346.408 3.512 20 0 EHADRM O=C(N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12)c1cc(F)c([O-])c(Cl)c1 ZINC000189523568 1023048105 /nfs/dbraw/zinc/04/81/05/1023048105.db2.gz NOUSRIVRNBAJEO-APHBMKBZSA-N -1 0 331.774 3.643 20 0 EHADRM COc1ccccc1[C@H](NCc1ccc(C(C)(C)C)s1)C(=O)[O-] ZINC000426793273 1023052167 /nfs/dbraw/zinc/05/21/67/1023052167.db2.gz MWAJHMLYWAYJOG-INIZCTEOSA-N -1 0 333.453 3.970 20 0 EHADRM Cc1cc2cccnc2c([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000507001618 1023059195 /nfs/dbraw/zinc/05/91/95/1023059195.db2.gz KCGVZZKEQSJLST-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM CO[C@@H](C)c1nc(=NCCCOc2ccc3ccccc3c2)s[n-]1 ZINC000509563120 1023063990 /nfs/dbraw/zinc/06/39/90/1023063990.db2.gz CSBGIXTXWVJGEH-ZDUSSCGKSA-N -1 0 343.452 3.702 20 0 EHADRM O=C([O-])[C@@H](NCc1cnc(-c2ccsc2)s1)c1cccc(F)c1 ZINC000426817846 1023065549 /nfs/dbraw/zinc/06/55/49/1023065549.db2.gz CQBKUJWLCXDBPK-AWEZNQCLSA-N -1 0 348.424 3.926 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1C ZINC000430980187 1023075221 /nfs/dbraw/zinc/07/52/21/1023075221.db2.gz CVSIXTRXGOFYOP-UHFFFAOYSA-N -1 0 333.306 3.661 20 0 EHADRM CCOc1ccc(S(=O)(=O)Nc2ccc3ccoc3c2)cc1C ZINC000574390621 1033104417 /nfs/dbraw/zinc/10/44/17/1033104417.db2.gz YMQMPEHXCMZPAT-UHFFFAOYSA-N -1 0 331.393 3.941 20 0 EHADRM C[C@H]1CCN(c2ccnc3c(Br)cccc23)C[C@H]1C(=O)[O-] ZINC000518185126 1023112284 /nfs/dbraw/zinc/11/22/84/1023112284.db2.gz KHJZUMNEUIJOBI-CMPLNLGQSA-N -1 0 349.228 3.544 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]c1cn(CC(C)C)nc1C(F)F ZINC000341747807 1023188840 /nfs/dbraw/zinc/18/88/40/1023188840.db2.gz FUTKOLHLYGYBKI-UHFFFAOYSA-N -1 0 343.399 3.586 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)N(C)C2CCC(C)CC2)cc1 ZINC000341745578 1023189443 /nfs/dbraw/zinc/18/94/43/1023189443.db2.gz QWJWCYKEIWOORY-ILWXKZJZSA-N -1 0 335.513 3.955 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)[C@@H](C)C(C)C)n2)cc1 ZINC000439054571 1023244892 /nfs/dbraw/zinc/24/48/92/1023244892.db2.gz FYXUNZHTRBKWSU-AWEZNQCLSA-N -1 0 329.444 3.818 20 0 EHADRM O=C(N[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1cccc(F)c1[O-] ZINC001125550297 1023283371 /nfs/dbraw/zinc/28/33/71/1023283371.db2.gz MCDPOZSSWDMVFU-FZMZJTMJSA-N -1 0 339.288 3.836 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000548450913 1023317893 /nfs/dbraw/zinc/31/78/93/1023317893.db2.gz MWYPHIJHYHSWQD-HNNXBMFYSA-N -1 0 331.362 3.908 20 0 EHADRM CC(C)Oc1ccccc1[C@H](C)NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000548478396 1023442365 /nfs/dbraw/zinc/44/23/65/1023442365.db2.gz RTRWMFWNJLCSOR-LBPRGKRZSA-N -1 0 345.370 3.802 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)Nc1ncc(C)s1 ZINC000582003222 1023498055 /nfs/dbraw/zinc/49/80/55/1023498055.db2.gz BCKSVUFDTSVYGS-CYBMUJFWSA-N -1 0 333.413 3.521 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)NC2CCC(F)(F)CC2)s1 ZINC000341867936 1023498184 /nfs/dbraw/zinc/49/81/84/1023498184.db2.gz LQTUPTISDUFPLB-UHFFFAOYSA-N -1 0 332.420 3.563 20 0 EHADRM CCCOc1ccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)cc1 ZINC000471974308 1023514862 /nfs/dbraw/zinc/51/48/62/1023514862.db2.gz XZGDCVNKPLRQSA-UHFFFAOYSA-N -1 0 348.399 3.897 20 0 EHADRM C[C@H](C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1cnn(C)c1 ZINC000535732415 1023596809 /nfs/dbraw/zinc/59/68/09/1023596809.db2.gz YPBJIYTUVZJCNZ-LURJTMIESA-N -1 0 348.617 3.828 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1sccc1OC(F)F ZINC000471987868 1023904360 /nfs/dbraw/zinc/90/43/60/1023904360.db2.gz DRBLOCSSSBEYKM-UHFFFAOYSA-N -1 0 341.335 3.917 20 0 EHADRM Cc1ccc(NC(=O)c2c(C)[n-]n(-c3cc(C)ccc3C)c2=O)s1 ZINC000505418303 1024011992 /nfs/dbraw/zinc/01/19/92/1024011992.db2.gz AEIKRJNIXMPXGS-MRXNPFEDSA-N -1 0 341.436 3.651 20 0 EHADRM CC(C)N(Cc1ccccc1)C(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000513988982 1024033337 /nfs/dbraw/zinc/03/33/37/1024033337.db2.gz GGYFRNVHZGDKSS-UHFFFAOYSA-N -1 0 342.424 3.663 20 0 EHADRM Cc1cc(C)c2nc(C3CC3)cc(C(=O)N[C@H](C)CCC(=O)[O-])c2c1 ZINC000191150674 1024042550 /nfs/dbraw/zinc/04/25/50/1024042550.db2.gz OCSVUEHFHZYUGH-CYBMUJFWSA-N -1 0 340.423 3.712 20 0 EHADRM C[C@@H](CNC(=O)c1cc(C2CC2)nc2ccc(Cl)cc21)CC(=O)[O-] ZINC000191225214 1024048682 /nfs/dbraw/zinc/04/86/82/1024048682.db2.gz RMAJJRXDURRMTD-SNVBAGLBSA-N -1 0 346.814 3.606 20 0 EHADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)c1sc2cc(C)ccc2c1Cl ZINC000785089677 1024064976 /nfs/dbraw/zinc/06/49/76/1024064976.db2.gz FHEKPVDXAVBGOL-VIFPVBQESA-N -1 0 345.873 3.721 20 0 EHADRM CC(C)CC1(C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)CCC1 ZINC000236665362 1024072929 /nfs/dbraw/zinc/07/29/29/1024072929.db2.gz VYSWEMLWPGQZJE-UHFFFAOYSA-N -1 0 347.455 3.763 20 0 EHADRM Cc1cc(-c2cccc(OCCC(=O)[O-])c2)ccc1O[C@H]1CCOC1 ZINC000657204831 1024095366 /nfs/dbraw/zinc/09/53/66/1024095366.db2.gz QCGAEAMWBPYTOW-SFHVURJKSA-N -1 0 342.391 3.683 20 0 EHADRM Cc1sc(CC(=O)Nc2cccc(CCC(=O)[O-])c2)nc1C(C)C ZINC000909511114 1024110913 /nfs/dbraw/zinc/11/09/13/1024110913.db2.gz QVXQZGFUNUAFQY-UHFFFAOYSA-N -1 0 346.452 3.773 20 0 EHADRM CCOc1c(OC)cc(C(=O)[O-])cc1-c1ccc2c(c1)CCCO2 ZINC000657206562 1024128574 /nfs/dbraw/zinc/12/85/74/1024128574.db2.gz WLKNENJVUKPTGL-UHFFFAOYSA-N -1 0 328.364 3.784 20 0 EHADRM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(F)(F)F ZINC000443934474 1024130575 /nfs/dbraw/zinc/13/05/75/1024130575.db2.gz IWTSGSQPPDWRFX-RDDDGLTNSA-N -1 0 347.761 3.734 20 0 EHADRM COc1ccc(CO)c(-c2ccc(CC(C)(C)C(=O)[O-])cc2C)c1 ZINC000657207726 1024131318 /nfs/dbraw/zinc/13/13/18/1024131318.db2.gz DVCPLYRYCVYDMN-UHFFFAOYSA-N -1 0 328.408 3.816 20 0 EHADRM CC[C@H](C)[C@H]([N-]S(=O)(=O)C[C@H](C)c1ccccc1)C(F)(F)F ZINC000443939570 1024153214 /nfs/dbraw/zinc/15/32/14/1024153214.db2.gz YIDQFRUPAGZNBU-OBJOEFQTSA-N -1 0 337.407 3.687 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(SC)c2)c1 ZINC000487395483 1024154994 /nfs/dbraw/zinc/15/49/94/1024154994.db2.gz YKWAEISRNJTKRG-UHFFFAOYSA-N -1 0 343.857 3.871 20 0 EHADRM CC[C@H]1CCc2nc([N-]S(=O)(=O)Cc3ccccc3)sc2C1 ZINC000536500877 1024175047 /nfs/dbraw/zinc/17/50/47/1024175047.db2.gz BHLZXVKWJVGQFY-LBPRGKRZSA-N -1 0 336.482 3.600 20 0 EHADRM C[C@@H]1C[C@H]1[C@@H](NC(=O)NCc1ncccc1O)c1ccc(Cl)cc1 ZINC000472001333 1024175501 /nfs/dbraw/zinc/17/55/01/1024175501.db2.gz HFKQZLNUNZWSTF-ZLENFMNRSA-N -1 0 345.830 3.637 20 0 EHADRM CSc1cc(C)ccc1CNC(=O)CCc1ccccc1C(=O)[O-] ZINC000262114724 1024175833 /nfs/dbraw/zinc/17/58/33/1024175833.db2.gz IWOVVZZSVLXNAA-UHFFFAOYSA-N -1 0 343.448 3.664 20 0 EHADRM COc1ccc(-n2nc(C)cc2Nc2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001211534808 1024226227 /nfs/dbraw/zinc/22/62/27/1024226227.db2.gz FYXXCTUCNUCDLY-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCC[C@H]1COc1ccccc1 ZINC000113434802 1024296804 /nfs/dbraw/zinc/29/68/04/1024296804.db2.gz BOOIVYINHMXFTG-AWEZNQCLSA-N -1 0 331.799 3.729 20 0 EHADRM Cc1c(NC(=O)c2cnc(OC(C)C)c(Cl)c2)cccc1C(=O)[O-] ZINC000614631018 1024299922 /nfs/dbraw/zinc/29/99/22/1024299922.db2.gz XUIMTYGUYZHHPD-UHFFFAOYSA-N -1 0 348.786 3.781 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)cc1 ZINC000326714800 1024302172 /nfs/dbraw/zinc/30/21/72/1024302172.db2.gz DALYGYWWZUSMOP-JYRVWZFOSA-N -1 0 339.391 3.891 20 0 EHADRM O=C(NCc1cccc(OC(F)F)c1)c1ccc([O-])c(Cl)c1 ZINC000051439766 1024306286 /nfs/dbraw/zinc/30/62/86/1024306286.db2.gz OLGOCVWQAYKQRR-UHFFFAOYSA-N -1 0 327.714 3.577 20 0 EHADRM CCCCCN(C)c1ccc(F)cc1CN=c1[n-]nc(C(F)F)o1 ZINC000346093024 1024393281 /nfs/dbraw/zinc/39/32/81/1024393281.db2.gz ZKMGVSVDOCPURO-UHFFFAOYSA-N -1 0 342.365 3.807 20 0 EHADRM CCc1ccc2nc([N-]S(=O)(=O)c3cccc(F)c3)sc2c1 ZINC000536459610 1024488179 /nfs/dbraw/zinc/48/81/79/1024488179.db2.gz PTRZROXJZAMLBP-UHFFFAOYSA-N -1 0 336.413 3.799 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1cccc(Br)c1C ZINC000607614670 1033216198 /nfs/dbraw/zinc/21/61/98/1033216198.db2.gz NWMPEJUYXJAHBS-UHFFFAOYSA-N -1 0 346.271 3.928 20 0 EHADRM Cc1ncc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])c(C2CC2)n1 ZINC000282225004 1024519399 /nfs/dbraw/zinc/51/93/99/1024519399.db2.gz HCCPHKDUSHIYNO-UHFFFAOYSA-N -1 0 338.194 3.927 20 0 EHADRM Cc1ccc(C2CC2)c(C(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)c1 ZINC000425258680 1024533156 /nfs/dbraw/zinc/53/31/56/1024533156.db2.gz RJJFNWOMMLKYLB-PMACEKPBSA-N -1 0 349.430 3.813 20 0 EHADRM O=C(Nc1nnc(-c2ccccc2)s1)c1cc(Cl)ccc1[O-] ZINC000022747790 1024557337 /nfs/dbraw/zinc/55/73/37/1024557337.db2.gz NQSYWJZBDWNFFT-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)C2(Nc3ccccc3)CC2)cc1)C(=O)[O-] ZINC000909523547 1024626424 /nfs/dbraw/zinc/62/64/24/1024626424.db2.gz OFPCXFSVCXEMTG-AWEZNQCLSA-N -1 0 338.407 3.533 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)Nc1ccc(COC2CCCC2)cc1)C(=O)[O-] ZINC000514723443 1024695420 /nfs/dbraw/zinc/69/54/20/1024695420.db2.gz OFNATWRWMMPPRU-SUMWQHHRSA-N -1 0 348.443 3.767 20 0 EHADRM COCc1cc(NC(=O)c2cnc(C(C)(C)C)s2)cc(C(=O)[O-])c1 ZINC000427688289 1024734760 /nfs/dbraw/zinc/73/47/60/1024734760.db2.gz ZBLIDHKAHQTUKM-UHFFFAOYSA-N -1 0 348.424 3.538 20 0 EHADRM O=S(=O)(NC1(C(F)F)CCCCC1)c1ccc(F)cc1Cl ZINC000508085891 1024883759 /nfs/dbraw/zinc/88/37/59/1024883759.db2.gz QBQJKSZJWQLIAV-UHFFFAOYSA-N -1 0 341.782 3.725 20 0 EHADRM CO[C@H](C)Cc1nc(=O)c2sc(-c3cccc(Cl)c3)cc2[n-]1 ZINC000157353715 1024888967 /nfs/dbraw/zinc/88/89/67/1024888967.db2.gz XNYIJKOPADHOJH-SECBINFHSA-N -1 0 334.828 3.882 20 0 EHADRM CC(C)[C@H](NC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])C1CC1 ZINC001167512919 1024904568 /nfs/dbraw/zinc/90/45/68/1024904568.db2.gz DGLFLGJKRXYNBU-SFHVURJKSA-N -1 0 327.380 3.629 20 0 EHADRM CC[C@@H](NC(=O)N(C)[C@H](CC(C)C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000684717148 1024930387 /nfs/dbraw/zinc/93/03/87/1024930387.db2.gz HOSHEMRDCRISMT-HUUCEWRRSA-N -1 0 340.851 3.932 20 0 EHADRM CC[C@H](NC(=O)N([C@@H](CC)C(=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC000684717603 1024940875 /nfs/dbraw/zinc/94/08/75/1024940875.db2.gz LLTNAVGAMCNYKW-GJZGRUSLSA-N -1 0 338.835 3.828 20 0 EHADRM O=S(=O)([N-]c1cc(C2CCCCC2)[nH]n1)c1cccc(F)c1F ZINC000474429431 1024953580 /nfs/dbraw/zinc/95/35/80/1024953580.db2.gz GAYHUBNZACZPMR-UHFFFAOYSA-N -1 0 341.383 3.536 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1c(F)c(F)cc(F)c1F ZINC000474438465 1024973276 /nfs/dbraw/zinc/97/32/76/1024973276.db2.gz JYJZXNSPTRDPHO-UHFFFAOYSA-N -1 0 337.631 3.993 20 0 EHADRM O=C(COc1cccc(Cl)c1)Nc1cc(F)cc(Cl)c1[O-] ZINC000474445486 1024979599 /nfs/dbraw/zinc/97/95/99/1024979599.db2.gz MEHPRCCIWWRYNJ-UHFFFAOYSA-N -1 0 330.142 3.856 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)N(CC(=O)[O-])C1CCCC1 ZINC000684726024 1025064553 /nfs/dbraw/zinc/06/45/53/1025064553.db2.gz IZEHSRMBTSBDGL-OAHLLOKOSA-N -1 0 346.471 3.782 20 0 EHADRM O=c1[n-]cnc(O[C@@H](c2ccccc2)C(F)(F)F)c1Br ZINC001226718638 1025089284 /nfs/dbraw/zinc/08/92/84/1025089284.db2.gz ASTONHBRHAXYSU-VIFPVBQESA-N -1 0 349.106 3.627 20 0 EHADRM Cc1cccc([C@H](NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C(F)(F)F)c1 ZINC000435711857 1025100402 /nfs/dbraw/zinc/10/04/02/1025100402.db2.gz UODJMOPLURSVGP-OBJOEFQTSA-N -1 0 343.345 3.606 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CSc2ccc3c(c2)CCC3)cc1 ZINC000013259724 1025101343 /nfs/dbraw/zinc/10/13/43/1025101343.db2.gz ILPLEWITCRTUCR-UHFFFAOYSA-N -1 0 327.405 3.604 20 0 EHADRM COc1cc(C)c([N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1C ZINC000435719319 1025105591 /nfs/dbraw/zinc/10/55/91/1025105591.db2.gz KZEJDOCDWWUJQS-UHFFFAOYSA-N -1 0 345.342 3.530 20 0 EHADRM CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000435724096 1025106810 /nfs/dbraw/zinc/10/68/10/1025106810.db2.gz WANJMLCDNLIEDV-UHFFFAOYSA-N -1 0 333.472 3.552 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)C2CCC(C(=O)[O-])CC2)cc1C ZINC000435723536 1025106868 /nfs/dbraw/zinc/10/68/68/1025106868.db2.gz PLROQAGXUCWZJD-LEOMRAHMSA-N -1 0 329.440 3.858 20 0 EHADRM CC(C)c1nc(/C=C/c2cnc(C(F)(F)F)s2)ncc1C(=O)[O-] ZINC000435741739 1025119422 /nfs/dbraw/zinc/11/94/22/1025119422.db2.gz KCCQLTXPKRMLPY-ONEGZZNKSA-N -1 0 343.330 3.944 20 0 EHADRM CC(C)n1cccc1C(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC000909473712 1025134102 /nfs/dbraw/zinc/13/41/02/1025134102.db2.gz BIKPDDMUVVIGJK-UHFFFAOYSA-N -1 0 328.412 3.576 20 0 EHADRM Cc1cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)c(C)n1C1CCCCC1 ZINC000521025855 1025170726 /nfs/dbraw/zinc/17/07/26/1025170726.db2.gz WUCIRBFSHUJEMA-CZUORRHYSA-N -1 0 346.471 3.935 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)N3CCC[C@@]3(C)C(=O)[O-])cc2)cs1 ZINC000684742447 1025186470 /nfs/dbraw/zinc/18/64/70/1025186470.db2.gz RAIJLHRHYUHJET-KRWDZBQOSA-N -1 0 345.424 3.590 20 0 EHADRM CCC[C@@](C)(NC(=O)Nc1ccc(OC(C)C)c(Cl)c1)C(=O)[O-] ZINC000515358803 1025193269 /nfs/dbraw/zinc/19/32/69/1025193269.db2.gz HSMAZICAFCYJFC-MRXNPFEDSA-N -1 0 342.823 3.892 20 0 EHADRM CC1CCC(N(C)C(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])CC1 ZINC000665531800 1025194319 /nfs/dbraw/zinc/19/43/19/1025194319.db2.gz OOMZTBHORFQENF-UHFFFAOYSA-N -1 0 349.381 3.507 20 0 EHADRM Cc1cc(Nc2sc3c(c2C(N)=O)C[C@@H](C)CC3)cc(C(=O)[O-])c1 ZINC001211539481 1025213226 /nfs/dbraw/zinc/21/32/26/1025213226.db2.gz XGAQFFMJBNHAOJ-VIFPVBQESA-N -1 0 344.436 3.722 20 0 EHADRM CCc1ccc(CC)c([N-]S(=O)(=O)c2cc(OC)ccc2OC)c1 ZINC000435981633 1025269711 /nfs/dbraw/zinc/26/97/11/1025269711.db2.gz VJFRHWLXIBWIDQ-UHFFFAOYSA-N -1 0 349.452 3.629 20 0 EHADRM COc1cccc([C@@H](C)NC(=O)CC2(CC(=O)[O-])CCCCC2)c1 ZINC000324364142 1025291095 /nfs/dbraw/zinc/29/10/95/1025291095.db2.gz IYFZKOLIRNZMMW-CQSZACIVSA-N -1 0 333.428 3.688 20 0 EHADRM COc1ccc(-c2n[n-]c(=NCc3c(F)cccc3Cl)o2)cc1 ZINC000436024484 1025306109 /nfs/dbraw/zinc/30/61/09/1025306109.db2.gz JDPAKBKCAANRHP-UHFFFAOYSA-N -1 0 333.750 3.572 20 0 EHADRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1SC ZINC000436024204 1025308519 /nfs/dbraw/zinc/30/85/19/1025308519.db2.gz YGNZRZMUXHPUDP-UHFFFAOYSA-N -1 0 341.429 3.747 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(C(=O)[C@@H]2CC=CCC2)CC1 ZINC000262946468 1033278542 /nfs/dbraw/zinc/27/85/42/1033278542.db2.gz IEEQYMRMIAFMGZ-MRXNPFEDSA-N -1 0 327.424 3.522 20 0 EHADRM C[C@](CC(=O)Nc1cccc2c1CCCC2)(C(=O)[O-])c1ccccc1 ZINC000013466625 1025397358 /nfs/dbraw/zinc/39/73/58/1025397358.db2.gz TYRNOQUBEDWPQL-OAQYLSRUSA-N -1 0 337.419 3.937 20 0 EHADRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000515631018 1025422936 /nfs/dbraw/zinc/42/29/36/1025422936.db2.gz QWZGSRYVLWZZKD-UHFFFAOYSA-N -1 0 347.770 3.818 20 0 EHADRM C[C@H](O)C[C@H](C)CN=c1[n-]nc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000444082861 1025424718 /nfs/dbraw/zinc/42/47/18/1025424718.db2.gz WVKCWMSCOIDLSA-IUCAKERBSA-N -1 0 346.283 3.753 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000442757300 1025458231 /nfs/dbraw/zinc/45/82/31/1025458231.db2.gz LYCSQWAPVMRICG-INIZCTEOSA-N -1 0 346.471 3.537 20 0 EHADRM CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccccc3F)cc2O1 ZINC000442839268 1025527264 /nfs/dbraw/zinc/52/72/64/1025527264.db2.gz VSDWNYSLMOGFLF-INIZCTEOSA-N -1 0 337.372 3.524 20 0 EHADRM C[C@H]1[C@H](C(=O)[O-])CCN1c1ncnc2scc(-c3ccccc3)c21 ZINC000392024225 1025539625 /nfs/dbraw/zinc/53/96/25/1025539625.db2.gz VOESQCBLKFUETO-WCQYABFASA-N -1 0 339.420 3.658 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1c1ncnc2scc(-c3ccccc3)c21 ZINC000392024221 1025539972 /nfs/dbraw/zinc/53/99/72/1025539972.db2.gz VOESQCBLKFUETO-DGCLKSJQSA-N -1 0 339.420 3.658 20 0 EHADRM CC(C)CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)nc1 ZINC000451102864 1025565703 /nfs/dbraw/zinc/56/57/03/1025565703.db2.gz FKNXIHVGWLFYLB-UHFFFAOYSA-N -1 0 346.452 3.501 20 0 EHADRM CO[C@@H]1CCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])[C@H](C)C1 ZINC000442897674 1025584488 /nfs/dbraw/zinc/58/44/88/1025584488.db2.gz JHDKRRAEECBSEN-VXGBXAGGSA-N -1 0 333.815 3.838 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2scnc2C2CCCC2)cc1 ZINC000909493337 1025586464 /nfs/dbraw/zinc/58/64/64/1025586464.db2.gz MZMVAZAVJHMCJL-UHFFFAOYSA-N -1 0 346.408 3.516 20 0 EHADRM C[C@@H](NC(=O)NC[C@H](C(=O)[O-])C1CCC1)c1cccc2ccccc21 ZINC000665300954 1025608688 /nfs/dbraw/zinc/60/86/88/1025608688.db2.gz LBXSFFUPGYLZPA-ACJLOTCBSA-N -1 0 340.423 3.701 20 0 EHADRM CCC(CC)CC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC000263038240 1033294425 /nfs/dbraw/zinc/29/44/25/1033294425.db2.gz DFXSMYOQMAWXKV-JKSUJKDBSA-N -1 0 337.847 3.793 20 0 EHADRM CCc1nc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)sc1C ZINC000342468118 1025692012 /nfs/dbraw/zinc/69/20/12/1025692012.db2.gz YDVDKJHXMSNSBT-UHFFFAOYSA-N -1 0 332.397 3.752 20 0 EHADRM CCc1ccc(CCC(=O)N=c2nc(-c3ccsc3)[n-]s2)cc1 ZINC000521835175 1025725993 /nfs/dbraw/zinc/72/59/93/1025725993.db2.gz FIMRRAZHNUDCEY-UHFFFAOYSA-N -1 0 343.477 3.822 20 0 EHADRM CCCC[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000347253368 1025732759 /nfs/dbraw/zinc/73/27/59/1025732759.db2.gz AUNHDIWMRNMHEB-MCIONIFRSA-N -1 0 343.345 3.569 20 0 EHADRM CCCC[C@@H](NC(=O)COc1ccc(Cl)c2ccccc12)C(=O)[O-] ZINC000347253402 1025732911 /nfs/dbraw/zinc/73/29/11/1025732911.db2.gz BEOMKHJOJPWWMW-OAHLLOKOSA-N -1 0 349.814 3.632 20 0 EHADRM CC[C@H](NC(=O)c1cc(Oc2ccccc2)ccc1O)c1ncc[nH]1 ZINC000443130210 1025743640 /nfs/dbraw/zinc/74/36/40/1025743640.db2.gz MZSVDQIKPYCIED-INIZCTEOSA-N -1 0 337.379 3.789 20 0 EHADRM Cc1c(=O)[nH]c(SCC2(F)CCOCC2)nc1-c1ccccc1 ZINC000521900213 1025754687 /nfs/dbraw/zinc/75/46/87/1025754687.db2.gz GKQHXMFFOHZZKT-UHFFFAOYSA-N -1 0 334.416 3.768 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2cnc3ccc(F)cc3c2)cc1 ZINC000436479579 1025756285 /nfs/dbraw/zinc/75/62/85/1025756285.db2.gz RSIRBZKSTVGEOG-UHFFFAOYSA-N -1 0 348.424 3.897 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2cnc3ccc(F)cc3c2)c1C ZINC000436476013 1025771925 /nfs/dbraw/zinc/77/19/25/1025771925.db2.gz DHBBYAORWZOWPT-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM O=C(Nc1ccc(F)cn1)c1cc(Cl)cc(Br)c1[O-] ZINC000436492967 1025775952 /nfs/dbraw/zinc/77/59/52/1025775952.db2.gz SVOKWFZBCVZAHY-UHFFFAOYSA-N -1 0 345.555 3.595 20 0 EHADRM O=C(N[C@@H](C1CCCCC1)C(F)(F)F)c1cc(F)c([O-])c(F)c1 ZINC000436521067 1025823588 /nfs/dbraw/zinc/82/35/88/1025823588.db2.gz BPHMPJIZOXHTAB-ZDUSSCGKSA-N -1 0 337.288 3.911 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CC(C)(C)O1 ZINC000436550205 1025856171 /nfs/dbraw/zinc/85/61/71/1025856171.db2.gz WZUYVLNLWLYZJP-LLVKDONJSA-N -1 0 333.815 3.838 20 0 EHADRM O=C(NCC1(O)CCCCCC1)c1c([O-])cc(Cl)cc1Cl ZINC000436539615 1025868006 /nfs/dbraw/zinc/86/80/06/1025868006.db2.gz UYVWIIXBMNZWNE-UHFFFAOYSA-N -1 0 332.227 3.514 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCC=C(c2ccncc2)C1 ZINC000436540503 1025868034 /nfs/dbraw/zinc/86/80/34/1025868034.db2.gz ZMEFPCIATWIBEC-UHFFFAOYSA-N -1 0 332.762 3.509 20 0 EHADRM COCCSc1ccc([C@@H](C)NC(=O)c2ccc(F)cc2[O-])cc1 ZINC000436568933 1025895711 /nfs/dbraw/zinc/89/57/11/1025895711.db2.gz XTISNYGODMOWBR-GFCCVEGCSA-N -1 0 349.427 3.761 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)c(C)s1 ZINC000119778630 1025959650 /nfs/dbraw/zinc/95/96/50/1025959650.db2.gz CQGRLMHCERSISB-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM CCCN(C(=O)c1cc(F)c([O-])c(F)c1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000436633208 1025962438 /nfs/dbraw/zinc/96/24/38/1025962438.db2.gz GDAJWPLUSPOHLT-HUUCEWRRSA-N -1 0 341.398 3.726 20 0 EHADRM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000436639071 1025967116 /nfs/dbraw/zinc/96/71/16/1025967116.db2.gz MSQOCCBFYLEBSE-MRXNPFEDSA-N -1 0 337.341 3.807 20 0 EHADRM CCO[C@H]1C[C@@H](NC(=O)c2cc(F)c([O-])c(F)c2)C12CCCCC2 ZINC000436638512 1025968825 /nfs/dbraw/zinc/96/88/25/1025968825.db2.gz IOHJQZYNJXAYNS-CABCVRRESA-N -1 0 339.382 3.528 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])CCO1 ZINC000436649732 1025974673 /nfs/dbraw/zinc/97/46/73/1025974673.db2.gz PWYBVSLMJNLQQO-LBPRGKRZSA-N -1 0 331.799 3.574 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CCC(=O)c2ccccc2)c1 ZINC000436652642 1025979614 /nfs/dbraw/zinc/97/96/14/1025979614.db2.gz PGHFMOAPCRGVEU-UHFFFAOYSA-N -1 0 325.364 3.587 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H](C)Oc2ccc(F)cc2)c1 ZINC000436652987 1025981269 /nfs/dbraw/zinc/98/12/69/1025981269.db2.gz SCDQSERNHBDKIM-NSHDSACASA-N -1 0 331.343 3.530 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCC(=O)c3ccccc32)c1 ZINC000436653549 1025984578 /nfs/dbraw/zinc/98/45/78/1025984578.db2.gz AUPXGPDRZCYSIB-OAHLLOKOSA-N -1 0 337.375 3.684 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ncccc2C(C)C)c(F)cc1F ZINC000443406997 1025985128 /nfs/dbraw/zinc/98/51/28/1025985128.db2.gz BWDRUGVVLWHCSY-UHFFFAOYSA-N -1 0 326.368 3.592 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H]2COc3ccc(Cl)cc32)c1 ZINC000436644122 1025993245 /nfs/dbraw/zinc/99/32/45/1025993245.db2.gz HULIAPRFJHVTEJ-CYBMUJFWSA-N -1 0 345.782 3.753 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2O)c(C)c1 ZINC000522956818 1025996530 /nfs/dbraw/zinc/99/65/30/1025996530.db2.gz KLTLCQDAUGJUHT-UHFFFAOYSA-N -1 0 325.817 3.772 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(F)cc(Cl)c2[O-])Cc2ccccc2O1 ZINC000436688845 1026044485 /nfs/dbraw/zinc/04/44/85/1026044485.db2.gz PAVWFOUHIXPBJG-SNVBAGLBSA-N -1 0 335.762 3.608 20 0 EHADRM C[C@H]1CC(CCNC(=O)c2cc3ccccc3cc2O)C[C@H](C)O1 ZINC000436694883 1026051973 /nfs/dbraw/zinc/05/19/73/1026051973.db2.gz BXQLQXFQIDXGDS-KBPBESRZSA-N -1 0 327.424 3.869 20 0 EHADRM C[C@H](N=c1[n-]nc(C(C)(C)C)s1)c1ccc(-n2cccn2)c(F)c1 ZINC000436718541 1026091726 /nfs/dbraw/zinc/09/17/26/1026091726.db2.gz FIXIRVSOYNOSQF-NSHDSACASA-N -1 0 345.447 3.755 20 0 EHADRM C[C@H](NC(=O)N=c1nc(C(C)(C)C)[n-]s1)c1cc2ccccc2o1 ZINC000436741681 1026110773 /nfs/dbraw/zinc/11/07/73/1026110773.db2.gz UBVNLTSONBRFKX-JTQLQIEISA-N -1 0 344.440 3.886 20 0 EHADRM O=C(Nc1cc(F)ccc1O)c1cc(Br)c(F)cc1F ZINC000192192608 1026117137 /nfs/dbraw/zinc/11/71/37/1026117137.db2.gz MSXIPMWYFMBZGL-UHFFFAOYSA-N -1 0 346.102 3.824 20 0 EHADRM COC(=O)c1ccc(C(C)C)c(NC(=O)c2c([O-])cccc2F)c1 ZINC000436745647 1026117689 /nfs/dbraw/zinc/11/76/89/1026117689.db2.gz AFILNMGIGWMWIK-UHFFFAOYSA-N -1 0 331.343 3.694 20 0 EHADRM Cc1csc(CNC(=O)c2cc(Cl)c3ccccc3c2[O-])n1 ZINC000436759092 1026126874 /nfs/dbraw/zinc/12/68/74/1026126874.db2.gz SAYFHZFZRMBOKS-UHFFFAOYSA-N -1 0 332.812 3.894 20 0 EHADRM Cc1ccccc1C1CC(N(C(=O)CCCCC(=O)[O-])C2CC2)C1 ZINC000342544992 1026216320 /nfs/dbraw/zinc/21/63/20/1026216320.db2.gz KSBQWPHDECARPR-UHFFFAOYSA-N -1 0 329.440 3.877 20 0 EHADRM COCCCOc1ccc(F)cc1Nc1cc(C)cc(C(=O)[O-])c1 ZINC001211545112 1026251923 /nfs/dbraw/zinc/25/19/23/1026251923.db2.gz UQBTYCLEPBVBRV-UHFFFAOYSA-N -1 0 333.359 3.991 20 0 EHADRM CC[C@@H](C)[C@@H](C(=O)N=c1ccc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000543848859 1026281761 /nfs/dbraw/zinc/28/17/61/1026281761.db2.gz XCCAQJGHTXQPEC-IAQYHMDHSA-N -1 0 337.345 3.686 20 0 EHADRM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccccn2)cc1 ZINC000634822228 1026282928 /nfs/dbraw/zinc/28/29/28/1026282928.db2.gz QUPMCIKERLDDHB-CVEARBPZSA-N -1 0 340.379 3.703 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2ccc(O)cc2Cl)c(Cl)c1 ZINC001216430792 1026295755 /nfs/dbraw/zinc/29/57/55/1026295755.db2.gz VARBJHKAUFINNY-UHFFFAOYSA-N -1 0 334.180 3.689 20 0 EHADRM CC[C@H](Oc1[n-]c(=S)nnc1C)c1ccc(Br)cc1 ZINC001227598923 1026330395 /nfs/dbraw/zinc/33/03/95/1026330395.db2.gz NUVRXKXGVBXMDS-NSHDSACASA-N -1 0 340.246 3.761 20 0 EHADRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(C(C)C)cc2)n1 ZINC000007752123 1026336533 /nfs/dbraw/zinc/33/65/33/1026336533.db2.gz UXBABMMVXROOPV-OAHLLOKOSA-N -1 0 342.420 3.608 20 0 EHADRM COc1cc(C)c(CN(C)C(=O)c2ccc([O-])c(Cl)c2)cc1OC ZINC000030686917 1026410491 /nfs/dbraw/zinc/41/04/91/1026410491.db2.gz SFTYLMNRQNEHSO-UHFFFAOYSA-N -1 0 349.814 3.643 20 0 EHADRM CC(C)Oc1ccc2ccccc2c1CNC(=O)CC(C)(C)C(=O)[O-] ZINC000342609130 1026457656 /nfs/dbraw/zinc/45/76/56/1026457656.db2.gz UNYFDPIRKBOIIC-UHFFFAOYSA-N -1 0 343.423 3.744 20 0 EHADRM O=C([O-])CC1CCN(C(=O)CCSc2ccccc2Cl)CC1 ZINC000262123730 1026488600 /nfs/dbraw/zinc/48/86/00/1026488600.db2.gz KVXXOWRXPLSENV-UHFFFAOYSA-N -1 0 341.860 3.536 20 0 EHADRM CC1CCC(N(C)C(=O)N=c2nc(-c3ccccc3)[n-]s2)CC1 ZINC000531103080 1026572824 /nfs/dbraw/zinc/57/28/24/1026572824.db2.gz NVGCPYMTEWDWGW-UHFFFAOYSA-N -1 0 330.457 3.669 20 0 EHADRM COC(=O)[C@@H]1CCc2cc(Nc3cc(C)cc(C(=O)[O-])c3)ccc21 ZINC001211548994 1026595427 /nfs/dbraw/zinc/59/54/27/1026595427.db2.gz CZASIMYALNMDHY-QGZVFWFLSA-N -1 0 325.364 3.640 20 0 EHADRM O=C([O-])C1(CC(=O)NCCCc2ccc(Cl)cc2Cl)CCC1 ZINC000262490597 1026610415 /nfs/dbraw/zinc/61/04/15/1026610415.db2.gz JGPYAPSPIAHHTK-UHFFFAOYSA-N -1 0 344.238 3.687 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(CC2CCC2)C(C)C)n1 ZINC000193007806 1026663936 /nfs/dbraw/zinc/66/39/36/1026663936.db2.gz GBJMZCNFUXSFCO-UHFFFAOYSA-N -1 0 345.418 3.676 20 0 EHADRM Cc1cc(Nc2c(N)ccc(F)c2Br)cc(C(=O)[O-])c1 ZINC001211550395 1026721675 /nfs/dbraw/zinc/72/16/75/1026721675.db2.gz YWFHNHSULRQHDX-UHFFFAOYSA-N -1 0 339.164 3.921 20 0 EHADRM C[C@H]([N-]c1nc(-c2cccc(Cl)c2)no1)C(=O)N1CCCC[C@H]1C ZINC000301249528 1026737705 /nfs/dbraw/zinc/73/77/05/1026737705.db2.gz CPVRFBIEAYTMEF-NEPJUHHUSA-N -1 0 348.834 3.591 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)c2cc3c(s2)CCCCC3)s[n-]1 ZINC000582620431 1026780261 /nfs/dbraw/zinc/78/02/61/1026780261.db2.gz FAIOJTMKLUKBKZ-UHFFFAOYSA-N -1 0 335.498 3.840 20 0 EHADRM CCc1nc([C@H](C)Nc2nc(-c3cccc(OC)c3)no2)cs1 ZINC000301382677 1026784196 /nfs/dbraw/zinc/78/41/96/1026784196.db2.gz AVYMTEFBKUFWBD-JTQLQIEISA-N -1 0 330.413 3.937 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000431467484 1026864214 /nfs/dbraw/zinc/86/42/14/1026864214.db2.gz ZYSCFWUTUSMRTP-MQIPJXDCSA-N -1 0 325.836 3.524 20 0 EHADRM COCCOc1cccc(-c2ccccc2SCCC(=O)[O-])c1 ZINC000582677027 1026918525 /nfs/dbraw/zinc/91/85/25/1026918525.db2.gz KMOILQRYTIZKPT-UHFFFAOYSA-N -1 0 332.421 3.946 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])[S@](=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000578319048 1027019923 /nfs/dbraw/zinc/01/99/23/1027019923.db2.gz DZATXUVDFKBKPM-WVDJIFEKSA-N -1 0 328.739 3.576 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)c1 ZINC000414436254 1027278114 /nfs/dbraw/zinc/27/81/14/1027278114.db2.gz BXBSFTKLLCPUGR-ZDUSSCGKSA-N -1 0 343.345 3.744 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NCc2cnc(C(C)(C)C)s2)o1 ZINC000453052394 1027293551 /nfs/dbraw/zinc/29/35/51/1027293551.db2.gz OONLBABRHJLDGL-UHFFFAOYSA-N -1 0 346.431 3.972 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])NC(=O)[C@H](C)CC2CCCCC2)c1 ZINC000531749285 1027306777 /nfs/dbraw/zinc/30/67/77/1027306777.db2.gz QAVVFUSMTHHLIL-RDTXWAMCSA-N -1 0 347.455 3.934 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 ZINC000237284080 1027359877 /nfs/dbraw/zinc/35/98/77/1027359877.db2.gz OZYCKSCHGXOVOU-PKNBQFBNSA-N -1 0 347.411 3.891 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c2ccccc21 ZINC000392043372 1027406824 /nfs/dbraw/zinc/40/68/24/1027406824.db2.gz GJKKDQXXZFAYCS-KLZNWCGWSA-N -1 0 327.424 3.808 20 0 EHADRM CCO[C@H](CC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1)C1=CCCC1 ZINC000414446340 1027413027 /nfs/dbraw/zinc/41/30/27/1027413027.db2.gz IUFQVKTVBGAMAA-SUMWQHHRSA-N -1 0 331.412 3.719 20 0 EHADRM Cc1cc(/C=C(\C(=O)C(=O)[O-])c2ccc3ccccc3n2)cc(C)c1O ZINC000007587109 1027477919 /nfs/dbraw/zinc/47/79/19/1027477919.db2.gz WFTKSBWJIQAVIB-WJDWOHSUSA-N -1 0 347.370 3.752 20 0 EHADRM O=c1[nH]c(CNC2(c3ccccc3F)CC2)nc2c3ccccc3oc21 ZINC000341855526 1027527514 /nfs/dbraw/zinc/52/75/14/1027527514.db2.gz NBKJRHQAEMPKBL-UHFFFAOYSA-N -1 0 349.365 4.000 20 0 EHADRM CC(C)n1ncc(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c1C1CC1 ZINC000414460130 1027611020 /nfs/dbraw/zinc/61/10/20/1027611020.db2.gz XPHXDIKVDFENMT-LBPRGKRZSA-N -1 0 341.411 3.782 20 0 EHADRM CSc1c(F)cc(NC(=O)N([C@H](C)C(=O)[O-])C2CCC2)cc1F ZINC000580396067 1027631033 /nfs/dbraw/zinc/63/10/33/1027631033.db2.gz URULNUKOZCNZAZ-MRVPVSSYSA-N -1 0 344.383 3.546 20 0 EHADRM CC[C@@H](N=c1[n-]nc(-c2ccc(OC)cc2)s1)c1c(C)noc1C ZINC000420602462 1027639154 /nfs/dbraw/zinc/63/91/54/1027639154.db2.gz HVZCVQWLBYTUOF-CQSZACIVSA-N -1 0 344.440 3.804 20 0 EHADRM C[C@H](O)C[C@H](CN=c1nc(C2CCCC2)[n-]s1)c1ccccc1 ZINC000420604739 1027639205 /nfs/dbraw/zinc/63/92/05/1027639205.db2.gz SWWLDORXPKWSOS-XJKSGUPXSA-N -1 0 331.485 3.584 20 0 EHADRM Cc1nc(-c2ccc([N-]S(=O)(=O)c3cc(C)ccc3F)cc2)co1 ZINC000614782348 1027671328 /nfs/dbraw/zinc/67/13/28/1027671328.db2.gz PSQILEWEAASOCT-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM CC(C)[C@@H]1CCN1C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000455129527 1027756985 /nfs/dbraw/zinc/75/69/85/1027756985.db2.gz ASMGYGWGEPPDKU-LBPRGKRZSA-N -1 0 336.848 3.543 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000643428205 1027773259 /nfs/dbraw/zinc/77/32/59/1027773259.db2.gz DDLSJQDKUIQRCI-TUAOUCFPSA-N -1 0 329.421 3.652 20 0 EHADRM CC(C)[C@@H]1CCN1C(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000455165089 1027805928 /nfs/dbraw/zinc/80/59/28/1027805928.db2.gz VTYKNOWOGMYUPE-LBPRGKRZSA-N -1 0 336.848 3.543 20 0 EHADRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC000665862748 1027847093 /nfs/dbraw/zinc/84/70/93/1027847093.db2.gz KRIWDNPCIYVJTL-VXGBXAGGSA-N -1 0 345.468 3.572 20 0 EHADRM CC(C)(C)[C@H]1CCN(C(=O)N=c2nc(-c3ccccc3)[n-]s2)C1 ZINC000544217872 1027852209 /nfs/dbraw/zinc/85/22/09/1027852209.db2.gz DKXLCQOEGUSDFN-ZDUSSCGKSA-N -1 0 330.457 3.527 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)NC2(c3ccccc3)CCC2)c(C)c1 ZINC000132432962 1027925040 /nfs/dbraw/zinc/92/50/40/1027925040.db2.gz HATOWJOFZFIMRF-XMMPIXPASA-N -1 0 341.476 3.607 20 0 EHADRM CC(C)c1ncsc1[N-]S(=O)(=O)Cc1cccc(Cl)c1 ZINC000582856072 1028045104 /nfs/dbraw/zinc/04/51/04/1028045104.db2.gz KPJRLXQAQLWQGP-UHFFFAOYSA-N -1 0 330.862 3.862 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)NC[C@@H]2CCCC(F)(F)C2)s1 ZINC000503763672 1028118318 /nfs/dbraw/zinc/11/83/18/1028118318.db2.gz YETHDUQNCFWZBF-SNVBAGLBSA-N -1 0 346.447 3.811 20 0 EHADRM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000532694118 1028207820 /nfs/dbraw/zinc/20/78/20/1028207820.db2.gz SKMRGYONWGHWQH-JKSUJKDBSA-N -1 0 346.471 3.778 20 0 EHADRM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccccc1C(F)(F)F ZINC000421224969 1028211200 /nfs/dbraw/zinc/21/12/00/1028211200.db2.gz JMYOFIRTVRXMKT-NSHDSACASA-N -1 0 339.379 3.508 20 0 EHADRM Cc1ncc(Nc2cc(Cl)cc(C(=O)[O-])c2)nc1Br ZINC001211962445 1028217177 /nfs/dbraw/zinc/21/71/77/1028217177.db2.gz FEMKBLKGNIDXJL-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM COC(=O)c1c(F)cc(Nc2cc(Cl)cc(C(=O)[O-])c2)cc1F ZINC001211966535 1028303943 /nfs/dbraw/zinc/30/39/43/1028303943.db2.gz DFKWQIKJLVDGCJ-UHFFFAOYSA-N -1 0 341.697 3.847 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccc(F)c3)on2)c(C)c1 ZINC000582944768 1028325162 /nfs/dbraw/zinc/32/51/62/1028325162.db2.gz FZTWMTNCEZAWOU-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM CCC[C@H](CNC(=O)c1cc(Cc2ccccc2)ccc1O)OCC ZINC001167952017 1028343920 /nfs/dbraw/zinc/34/39/20/1028343920.db2.gz GKOKUWXSDVVXFP-GOSISDBHSA-N -1 0 341.451 3.918 20 0 EHADRM CCOc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2OC)c1 ZINC000614863601 1028360970 /nfs/dbraw/zinc/36/09/70/1028360970.db2.gz HLHGJXJQNFPROW-UHFFFAOYSA-N -1 0 341.816 3.548 20 0 EHADRM Cc1cc(F)c(S(=O)(=O)[N-]c2ncsc2C(C)C)c(F)c1 ZINC000578995092 1028404329 /nfs/dbraw/zinc/40/43/29/1028404329.db2.gz WPOZUKZFDPKCBR-UHFFFAOYSA-N -1 0 332.397 3.654 20 0 EHADRM CN(C)C(=O)Oc1cccc(Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC001211969293 1028407306 /nfs/dbraw/zinc/40/73/06/1028407306.db2.gz BFIXZNGFWOTQIE-UHFFFAOYSA-N -1 0 334.759 3.842 20 0 EHADRM O=S(=O)([N-]c1nccs1)c1cc(C(F)(F)F)ccc1Cl ZINC000060486732 1028411214 /nfs/dbraw/zinc/41/12/14/1028411214.db2.gz PVJQHHOUUUNYSY-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1 ZINC000327288671 1028448887 /nfs/dbraw/zinc/44/88/87/1028448887.db2.gz LYKYHBMCGNLBEQ-FLIBITNWSA-N -1 0 334.331 3.692 20 0 EHADRM CC(C)Sc1ccc([C@@H](C)NC(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000236632902 1028559076 /nfs/dbraw/zinc/55/90/76/1028559076.db2.gz CQKCOFSEFZQZKD-LLVKDONJSA-N -1 0 333.409 3.969 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1cccc(OC2CCCCC2)c1 ZINC000236768903 1028580794 /nfs/dbraw/zinc/58/07/94/1028580794.db2.gz NJZQGRZKRNBUHP-UHFFFAOYSA-N -1 0 333.428 3.723 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C1 ZINC000238020024 1028589713 /nfs/dbraw/zinc/58/97/13/1028589713.db2.gz LUJDSDJXIHZJTD-CYBMUJFWSA-N -1 0 345.370 3.803 20 0 EHADRM CCCCO[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000236858285 1028593322 /nfs/dbraw/zinc/59/33/22/1028593322.db2.gz QLQOWKVRRWBCDI-PBHICJAKSA-N -1 0 349.471 3.821 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1ccc2c(c1)CCCC2 ZINC000237667654 1028658239 /nfs/dbraw/zinc/65/82/39/1028658239.db2.gz HDYUPPBLLGNIOP-IBGZPJMESA-N -1 0 337.419 3.820 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(-n3cccc3)c(F)c2)cc1C(=O)[O-] ZINC000237720500 1028662745 /nfs/dbraw/zinc/66/27/45/1028662745.db2.gz OOSGVXZSRPTSBQ-UHFFFAOYSA-N -1 0 338.338 3.875 20 0 EHADRM CO[C@@H](c1noc(-c2ccc([O-])c(Cl)c2)n1)c1ccc(F)cc1 ZINC000445264896 1028671982 /nfs/dbraw/zinc/67/19/82/1028671982.db2.gz QXFSRYLXGXVRCO-CQSZACIVSA-N -1 0 334.734 3.971 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000238081888 1028675886 /nfs/dbraw/zinc/67/58/86/1028675886.db2.gz HZYCYUQXVHPCAO-NWDGAFQWSA-N -1 0 347.773 3.848 20 0 EHADRM O=C([O-])c1ccn(-c2ccccc2NC(=O)c2cc3ccccc3o2)n1 ZINC000238073349 1028676391 /nfs/dbraw/zinc/67/63/91/1028676391.db2.gz YOOORSCTWYZAGI-UHFFFAOYSA-N -1 0 347.330 3.569 20 0 EHADRM CC(C)(CC(=O)Nc1cccc(COc2ccc(F)cc2)c1)C(=O)[O-] ZINC000504474235 1028677682 /nfs/dbraw/zinc/67/76/82/1028677682.db2.gz SVSNJOMTYPVYLU-UHFFFAOYSA-N -1 0 345.370 3.844 20 0 EHADRM C[C@H]1Cc2cc(S(=O)(=O)Nc3ccccc3C(F)F)ccc2O1 ZINC000424069572 1028772752 /nfs/dbraw/zinc/77/27/52/1028772752.db2.gz PXNSDAPSYALPBE-JTQLQIEISA-N -1 0 339.363 3.748 20 0 EHADRM C[C@@H](O[C@H](C)C(=O)Nc1ccc(SC2CCCC2)cc1)C(=O)[O-] ZINC000421802136 1028790661 /nfs/dbraw/zinc/79/06/61/1028790661.db2.gz GHSSFABWESTEIS-VXGBXAGGSA-N -1 0 337.441 3.538 20 0 EHADRM Cc1cc(N(C)C)cc(C)c1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000532765090 1028814771 /nfs/dbraw/zinc/81/47/71/1028814771.db2.gz NPEVSCLNQDEUHW-UHFFFAOYSA-N -1 0 344.436 3.916 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000583118209 1028888356 /nfs/dbraw/zinc/88/83/56/1028888356.db2.gz GXQKUTRQXCMEFW-UHFFFAOYSA-N -1 0 338.436 3.706 20 0 EHADRM CCC(CC)(CNC(=O)[C@@H](C)c1ccc2ccccc2c1)C(=O)[O-] ZINC000424255232 1028913465 /nfs/dbraw/zinc/91/34/65/1028913465.db2.gz UOKPOGJZQSMUMQ-AWEZNQCLSA-N -1 0 327.424 3.951 20 0 EHADRM CC(C)(CCNC(=O)NC1(c2ccc(Cl)cc2)CCC1)C(=O)[O-] ZINC000424399723 1029049582 /nfs/dbraw/zinc/04/95/82/1029049582.db2.gz RHQYCKDPTABWEG-UHFFFAOYSA-N -1 0 338.835 3.519 20 0 EHADRM CC(C)(CCNC(=O)N1CCCC[C@@H]1c1ccc(F)cc1)C(=O)[O-] ZINC000424402364 1029050973 /nfs/dbraw/zinc/05/09/73/1029050973.db2.gz GUQJILZSUKBISG-OAHLLOKOSA-N -1 0 336.407 3.563 20 0 EHADRM CCC(CC)(CNC(=O)N(Cc1ccc(C)s1)C(C)C)C(=O)[O-] ZINC000424412108 1029058971 /nfs/dbraw/zinc/05/89/71/1029058971.db2.gz MGQYUPLQRALILU-UHFFFAOYSA-N -1 0 340.489 3.868 20 0 EHADRM O=C(Nc1n[nH]c(-c2ccco2)n1)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000076989448 1029068783 /nfs/dbraw/zinc/06/87/83/1029068783.db2.gz GQIJWSKWJUQRRT-DTWKUNHWSA-N -1 0 346.749 3.599 20 0 EHADRM Cc1ccccc1[C@H]1CCCN1C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000424424968 1029068980 /nfs/dbraw/zinc/06/89/80/1029068980.db2.gz PTCHJMUSAFGBHY-NVXWUHKLSA-N -1 0 332.444 3.588 20 0 EHADRM CCCOc1ccc(NC(=O)NCCC(C)(C)C(=O)[O-])cc1Cl ZINC000424479943 1029084475 /nfs/dbraw/zinc/08/44/75/1029084475.db2.gz XZIPDKYZSXODAC-UHFFFAOYSA-N -1 0 342.823 3.751 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000321884766 1029110398 /nfs/dbraw/zinc/11/03/98/1029110398.db2.gz KGNBIFAWKRTCOI-RISCZKNCSA-N -1 0 347.358 3.672 20 0 EHADRM Cc1cccc(N=c2[n-]nc(SCC3CCOCC3)s2)c1C ZINC000524386924 1029131153 /nfs/dbraw/zinc/13/11/53/1029131153.db2.gz RPTKXBWHVOVYPU-UHFFFAOYSA-N -1 0 335.498 3.839 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)CCc1cc(Cl)cs1 ZINC000262247470 1029152095 /nfs/dbraw/zinc/15/20/95/1029152095.db2.gz RLCCQWFWQJSNGC-GFCCVEGCSA-N -1 0 329.849 3.580 20 0 EHADRM Cc1cc([C@H](C)N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)oc1C(=O)[O-] ZINC000583209222 1029249667 /nfs/dbraw/zinc/24/96/67/1029249667.db2.gz IBWAPNGPRWIGDE-IGCXYCKISA-N -1 0 347.386 3.948 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)CCCOCCc1ccccc1 ZINC000271984548 1029257248 /nfs/dbraw/zinc/25/72/48/1029257248.db2.gz XJHVLBCMZZQSLE-UHFFFAOYSA-N -1 0 349.471 3.567 20 0 EHADRM CCc1cccc(C)c1[N-]S(=O)(=O)c1c(C)nn(C(C)C)c1C ZINC000524548431 1029290463 /nfs/dbraw/zinc/29/04/63/1029290463.db2.gz GWLFHZFLMLWZKS-UHFFFAOYSA-N -1 0 335.473 3.752 20 0 EHADRM Cc1nnc(-c2cccc(NC(=O)c3cc(F)cc(Cl)c3[O-])c2)o1 ZINC000154824832 1029332904 /nfs/dbraw/zinc/33/29/04/1029332904.db2.gz ZDSRSBFSAMDMMO-UHFFFAOYSA-N -1 0 347.733 3.795 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2ccccc2OCC2CC2)c1 ZINC000272168240 1029341679 /nfs/dbraw/zinc/34/16/79/1029341679.db2.gz YECBOGNEBRUADF-UHFFFAOYSA-N -1 0 325.364 3.636 20 0 EHADRM COc1ccc(N(C(=O)c2cccc(C(=O)[O-])c2)[C@H](C)C2CC2)cc1 ZINC000237458147 1029458790 /nfs/dbraw/zinc/45/87/90/1029458790.db2.gz XGCRMMMMZSRNIQ-CYBMUJFWSA-N -1 0 339.391 3.839 20 0 EHADRM C[C@H]1SCCN(C(=O)C(C)(C)CCC(=O)[O-])[C@@H]1c1ccccc1 ZINC000634899169 1029508110 /nfs/dbraw/zinc/50/81/10/1029508110.db2.gz FGACKTJQKWEBPM-CJNGLKHVSA-N -1 0 335.469 3.583 20 0 EHADRM CCS[C@@H]1CCCCN(C(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000272564872 1029515260 /nfs/dbraw/zinc/51/52/60/1029515260.db2.gz AZYJLKPUYPDYFF-SECBINFHSA-N -1 0 333.375 3.557 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)c1 ZINC000513816337 1029517562 /nfs/dbraw/zinc/51/75/62/1029517562.db2.gz LVXLJBWRYDFKED-UHFFFAOYSA-N -1 0 325.817 3.970 20 0 EHADRM Cc1cc(=NC(=O)c2ccc(C(C)(C)C(F)(F)F)cc2)[n-]nc1C ZINC000434251611 1029531964 /nfs/dbraw/zinc/53/19/64/1029531964.db2.gz WMRDDYCHVXPPPT-UHFFFAOYSA-N -1 0 337.345 3.608 20 0 EHADRM O=C([O-])C1(CC(=O)NCc2ccc3ccccc3n2)CCCCCC1 ZINC000634902768 1029546491 /nfs/dbraw/zinc/54/64/91/1029546491.db2.gz UTWRLBYLFRUHCP-UHFFFAOYSA-N -1 0 340.423 3.666 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC2CC2)cc1 ZINC000524852667 1029564911 /nfs/dbraw/zinc/56/49/11/1029564911.db2.gz KWKKLODIHGARCM-UHFFFAOYSA-N -1 0 335.400 3.724 20 0 EHADRM C[C@@H]1c2c(F)cccc2CCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000533288335 1029580529 /nfs/dbraw/zinc/58/05/29/1029580529.db2.gz CHNTZUDESOGAQN-SNVBAGLBSA-N -1 0 329.400 3.655 20 0 EHADRM CCCCCOc1ccc(C(=O)N2CCC(CC(=O)[O-])CC2)cc1 ZINC000262317181 1029584545 /nfs/dbraw/zinc/58/45/45/1029584545.db2.gz PNFJEXKMQRPWAG-UHFFFAOYSA-N -1 0 333.428 3.583 20 0 EHADRM CC[C@@H](C)OCC(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000162381010 1029592611 /nfs/dbraw/zinc/59/26/11/1029592611.db2.gz BEJVDSINFZAIHQ-SSDOTTSWSA-N -1 0 336.613 3.562 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)CCC1 ZINC000262465468 1029595595 /nfs/dbraw/zinc/59/55/95/1029595595.db2.gz GGMAFUSBDWSBRJ-GOSISDBHSA-N -1 0 341.382 3.676 20 0 EHADRM O=C([O-])CC[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(Br)c1 ZINC000050924893 1029613469 /nfs/dbraw/zinc/61/34/69/1029613469.db2.gz LMOIDVLMSQSYTJ-GFCCVEGCSA-N -1 0 344.224 3.808 20 0 EHADRM Cc1noc(C(C)C)c1NC(=O)c1csc(Br)n1 ZINC000928782815 1029647525 /nfs/dbraw/zinc/64/75/25/1029647525.db2.gz NUDJAVWRXGDVAM-UHFFFAOYSA-N -1 0 330.207 3.578 20 0 EHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000262878942 1029647620 /nfs/dbraw/zinc/64/76/20/1029647620.db2.gz GQARNDVVSCIXIO-GOSISDBHSA-N -1 0 333.359 3.705 20 0 EHADRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000525009199 1029648663 /nfs/dbraw/zinc/64/86/63/1029648663.db2.gz YOQYKYOIDUNDEL-UHFFFAOYSA-N -1 0 345.342 3.612 20 0 EHADRM CC(C)(CCNC(=O)CCCc1csc2ccccc12)C(=O)[O-] ZINC000262916796 1029650069 /nfs/dbraw/zinc/65/00/69/1029650069.db2.gz FWLUWTZEOJAPOB-UHFFFAOYSA-N -1 0 333.453 3.841 20 0 EHADRM CC(C)c1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc1 ZINC000262952410 1029653124 /nfs/dbraw/zinc/65/31/24/1029653124.db2.gz QTTFNFUGGWKHQE-RBUKOAKNSA-N -1 0 337.419 3.750 20 0 EHADRM CCc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)o1 ZINC000263048752 1029660898 /nfs/dbraw/zinc/66/08/98/1029660898.db2.gz DRSMLBQRLWXGOV-YCPHGPKFSA-N -1 0 333.428 3.787 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000263051800 1029660920 /nfs/dbraw/zinc/66/09/20/1029660920.db2.gz DZETXYQVULFUGK-RDTXWAMCSA-N -1 0 341.407 3.979 20 0 EHADRM CC(C)(CNC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)Cc1cccc(Cl)c1 ZINC000263048717 1029661115 /nfs/dbraw/zinc/66/11/15/1029661115.db2.gz DQXUTWCCMIVMOX-KGLIPLIRSA-N -1 0 337.847 3.526 20 0 EHADRM C[C@H]1CCCC[C@H]1C(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC000263065383 1029663603 /nfs/dbraw/zinc/66/36/03/1029663603.db2.gz NZZWVVFFZHSOLN-MAUKXSAKSA-N -1 0 343.467 3.992 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cccc(Nc3ccccc3)c2)C1 ZINC000263150031 1029669668 /nfs/dbraw/zinc/66/96/68/1029669668.db2.gz FHFHONPQRVLUJK-GDBMZVCRSA-N -1 0 338.407 3.613 20 0 EHADRM COc1c(C)cc(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)cc1C ZINC000263182408 1029671911 /nfs/dbraw/zinc/67/19/11/1029671911.db2.gz HJMNVHSJUUHCDT-CYBMUJFWSA-N -1 0 327.380 3.752 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])s1 ZINC000263256156 1029680539 /nfs/dbraw/zinc/68/05/39/1029680539.db2.gz UEWXBFZKBAPRRR-OAHLLOKOSA-N -1 0 331.437 3.577 20 0 EHADRM CCCOc1cccc(CC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c1 ZINC000263293498 1029684850 /nfs/dbraw/zinc/68/48/50/1029684850.db2.gz MNXLBVZGPMQLDV-AWEZNQCLSA-N -1 0 341.407 3.845 20 0 EHADRM C[C@H](C(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000263309593 1029686446 /nfs/dbraw/zinc/68/64/46/1029686446.db2.gz HVDBGWLKWWKOGK-NHCYSSNCSA-N -1 0 344.238 3.809 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)C2(c3ccccc3F)CC2)cc1 ZINC000263333899 1029689592 /nfs/dbraw/zinc/68/95/92/1029689592.db2.gz QKXKHCBVWAJREY-GFCCVEGCSA-N -1 0 327.355 3.684 20 0 EHADRM CC(C)Oc1ccc([C@H](C)NC(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000263356985 1029690618 /nfs/dbraw/zinc/69/06/18/1029690618.db2.gz SAJTVXJDTZLNLS-AWEZNQCLSA-N -1 0 341.407 3.592 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C)Cc1ccc(Cl)cc1 ZINC000263370597 1029691146 /nfs/dbraw/zinc/69/11/46/1029691146.db2.gz VGJQQOWLIURFAM-XEZPLFJOSA-N -1 0 337.847 3.620 20 0 EHADRM COc1c(Cl)cc(Cl)cc1CN1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000263363190 1029691315 /nfs/dbraw/zinc/69/13/15/1029691315.db2.gz SMEJWNYZXKRMGX-UWVGGRQHSA-N -1 0 332.227 3.687 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000263367873 1029691906 /nfs/dbraw/zinc/69/19/06/1029691906.db2.gz WSQBHVHAUNJULE-ACJLOTCBSA-N -1 0 341.382 3.676 20 0 EHADRM Cc1ccc(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)c(Cl)c1 ZINC000263403132 1029695208 /nfs/dbraw/zinc/69/52/08/1029695208.db2.gz HCXDHLRKFMWZNW-OAHLLOKOSA-N -1 0 345.826 3.854 20 0 EHADRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)c1cnc(-c2ccccc2)s1 ZINC000263421802 1029696214 /nfs/dbraw/zinc/69/62/14/1029696214.db2.gz IZUUKHCITXCJTI-KGLIPLIRSA-N -1 0 344.436 3.573 20 0 EHADRM Cc1cc(C)c(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c(C)c1 ZINC000263444161 1029698642 /nfs/dbraw/zinc/69/86/42/1029698642.db2.gz QKPVIFSGHUVTGO-SFHVURJKSA-N -1 0 339.435 3.818 20 0 EHADRM Cc1ccc(SC2(C(=O)N[C@@H](C)[C@H](C)C(=O)[O-])CCCC2)cc1 ZINC000263442229 1029699695 /nfs/dbraw/zinc/69/96/95/1029699695.db2.gz MNNMJYNQZMRCER-KBPBESRZSA-N -1 0 335.469 3.625 20 0 EHADRM C[C@H](NC(=O)CC(C)(C)C(=O)[O-])c1cc(F)c(Cl)cc1Cl ZINC000262279109 1029700609 /nfs/dbraw/zinc/70/06/09/1029700609.db2.gz VHXGPHXHBOUAHW-ZETCQYMHSA-N -1 0 336.190 3.811 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c(C)c1 ZINC000263467020 1029701506 /nfs/dbraw/zinc/70/15/06/1029701506.db2.gz GMWJKQFOEZCBCL-KRWDZBQOSA-N -1 0 340.423 3.901 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000263491396 1029703685 /nfs/dbraw/zinc/70/36/85/1029703685.db2.gz OWLRUPGVDKJJLN-SNVBAGLBSA-N -1 0 326.824 3.649 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N(Cc2ccco2)Cc2ccccc2)c1 ZINC000347394738 1029725587 /nfs/dbraw/zinc/72/55/87/1029725587.db2.gz YITHJYPCNAKGEO-UHFFFAOYSA-N -1 0 349.386 3.749 20 0 EHADRM CCCOc1ccc(S(=O)(=O)[N-]c2nc(C(C)C)cs2)cc1 ZINC000525212624 1029755315 /nfs/dbraw/zinc/75/53/15/1029755315.db2.gz GAVSZUDNGORBSL-UHFFFAOYSA-N -1 0 340.470 3.856 20 0 EHADRM FC(F)c1n[n-]c(=NCCn2ccc3cc(Cl)ccc32)s1 ZINC000343221699 1029797282 /nfs/dbraw/zinc/79/72/82/1029797282.db2.gz LUTHWVBGNJDSJJ-UHFFFAOYSA-N -1 0 328.775 3.618 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC000583419139 1029800864 /nfs/dbraw/zinc/80/08/64/1029800864.db2.gz DBZORSQZHDOIAM-WFASDCNBSA-N -1 0 336.432 3.795 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)C(C)(C)c2ccc(C)cc2)sc1C(=O)[O-] ZINC000237483703 1029827448 /nfs/dbraw/zinc/82/74/48/1029827448.db2.gz ZSRXNZKKLJKBSI-GFCCVEGCSA-N -1 0 346.452 3.613 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)c1sc(C2CC2)nc1-c1ccccc1 ZINC000455752170 1029889091 /nfs/dbraw/zinc/88/90/91/1029889091.db2.gz LLCLUEIIJCTNNB-UHFFFAOYSA-N -1 0 344.436 3.624 20 0 EHADRM Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000119991339 1029894400 /nfs/dbraw/zinc/89/44/00/1029894400.db2.gz LLUGAXPFZQOALL-UHFFFAOYSA-N -1 0 349.305 3.675 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnc3c(Cl)cccc3c2)cc1 ZINC000201021069 1029935319 /nfs/dbraw/zinc/93/53/19/1029935319.db2.gz PYAWEUPKOLRSGM-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](OCc2ccccc2)C1 ZINC001142657164 1030027379 /nfs/dbraw/zinc/02/73/79/1030027379.db2.gz PRTWNYXZKMYGNE-QGZVFWFLSA-N -1 0 345.826 3.829 20 0 EHADRM COc1cc(C)cc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1C ZINC000447260522 1030050897 /nfs/dbraw/zinc/05/08/97/1030050897.db2.gz LTUNJNHSMYIWMX-UHFFFAOYSA-N -1 0 345.342 3.530 20 0 EHADRM COc1cc(C)cc([N-]S(=O)(=O)c2cc(C)c(F)cc2F)c1C ZINC000447271213 1030059461 /nfs/dbraw/zinc/05/94/61/1030059461.db2.gz PEXIKMXBPLJPBY-UHFFFAOYSA-N -1 0 341.379 3.699 20 0 EHADRM COc1ccc(CNC(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)c(C)c1 ZINC000531930521 1030084644 /nfs/dbraw/zinc/08/46/44/1030084644.db2.gz CPWZKMUSOALHMT-FQEVSTJZSA-N -1 0 347.455 3.681 20 0 EHADRM Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000361323435 1030134441 /nfs/dbraw/zinc/13/44/41/1030134441.db2.gz FZCVXGVKPQPEOR-ZETCQYMHSA-N -1 0 342.226 3.792 20 0 EHADRM Cc1onc(CN(C2CC2)[C@H]2CCCc3ccccc32)c1C(=O)[O-] ZINC000583569759 1030148880 /nfs/dbraw/zinc/14/88/80/1030148880.db2.gz MGQOQKYHTRLHCK-KRWDZBQOSA-N -1 0 326.396 3.723 20 0 EHADRM CCC1(CC)CCN(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])C1 ZINC000447503809 1030233768 /nfs/dbraw/zinc/23/37/68/1030233768.db2.gz HLKMOEFHIOCRNB-UHFFFAOYSA-N -1 0 347.846 3.884 20 0 EHADRM O=C(Nc1ccc2cc[nH]c2c1)c1cc(Br)ccc1O ZINC000447645858 1030399040 /nfs/dbraw/zinc/39/90/40/1030399040.db2.gz DUAKQFAYHMUXKL-UHFFFAOYSA-N -1 0 331.169 3.888 20 0 EHADRM O=C([O-])C1CCC(CC(=O)Nc2cc(F)ccc2OCC2CC2)CC1 ZINC000567968972 1030430838 /nfs/dbraw/zinc/43/08/38/1030430838.db2.gz HOCRXUVWGWOJPU-UHFFFAOYSA-N -1 0 349.402 3.834 20 0 EHADRM O=C(NCc1cc(F)c(Cl)cc1F)c1cc(F)c([O-])c(F)c1 ZINC000447761615 1030467225 /nfs/dbraw/zinc/46/72/25/1030467225.db2.gz WXLJCIGFKITTGB-UHFFFAOYSA-N -1 0 333.668 3.532 20 0 EHADRM CSc1ccc(C)c(C(=O)N=c2cc(-c3ccc(C)o3)[n-][nH]2)c1 ZINC000447800253 1030484058 /nfs/dbraw/zinc/48/40/58/1030484058.db2.gz QYKQBKUKYIQRRF-UHFFFAOYSA-N -1 0 327.409 3.683 20 0 EHADRM Cn1ccc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3F)cc21 ZINC000526949789 1030497892 /nfs/dbraw/zinc/49/78/92/1030497892.db2.gz FFLDSXBPMVPJLP-UHFFFAOYSA-N -1 0 338.791 3.772 20 0 EHADRM CN(C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-])[C@@H]1CCOC1 ZINC000163418073 1030538037 /nfs/dbraw/zinc/53/80/37/1030538037.db2.gz ZKDWBGGWEBXEON-CQSZACIVSA-N -1 0 331.799 3.574 20 0 EHADRM C[C@@H]1C[C@H](C)N1Cc1cc(Br)c([O-])c(Br)c1 ZINC000668090336 1030584585 /nfs/dbraw/zinc/58/45/85/1030584585.db2.gz KZAIVPPGFWNRHL-OCAPTIKFSA-N -1 0 349.066 3.900 20 0 EHADRM C[C@@H]1C[C@H](C)N(C(=O)N=c2[n-]nc(-c3cc4ccccc4o3)s2)C1 ZINC000527056999 1030608468 /nfs/dbraw/zinc/60/84/68/1030608468.db2.gz UZBSQLYACPWOAK-MNOVXSKESA-N -1 0 342.424 3.635 20 0 EHADRM CC(C)CCOC1CCN(C(=O)c2ccc([O-])c(Cl)c2)CC1 ZINC000193885847 1030613195 /nfs/dbraw/zinc/61/31/95/1030613195.db2.gz UXCDKFNBEDXVCL-UHFFFAOYSA-N -1 0 325.836 3.713 20 0 EHADRM O=C(N=c1nc(-c2ccsc2)[n-]s1)N[C@H]1CC12CCCCC2 ZINC000448001430 1030651146 /nfs/dbraw/zinc/65/11/46/1030651146.db2.gz QLZCBVJHYXAJBA-NSHDSACASA-N -1 0 334.470 3.533 20 0 EHADRM C[C@H]1CN(C([O-])=Nc2nc(-c3ccsc3)ns2)c2ccccc21 ZINC000448007541 1030662954 /nfs/dbraw/zinc/66/29/54/1030662954.db2.gz APUHBHJONGOLED-JTQLQIEISA-N -1 0 342.449 3.844 20 0 EHADRM Cc1cc(/C=C/C(=O)N[C@@H](C)CCC(=O)[O-])c(C)n1C1CCCCC1 ZINC000237523556 1030671107 /nfs/dbraw/zinc/67/11/07/1030671107.db2.gz ICGHBYZDDUAFDF-VNDWYCCKSA-N -1 0 346.471 3.993 20 0 EHADRM Cn1ncc(Cl)c1/C=C(/CC(=O)[O-])c1nc2ccccc2s1 ZINC000122616221 1030696086 /nfs/dbraw/zinc/69/60/86/1030696086.db2.gz JNQOYTREWRWYLO-TWGQIWQCSA-N -1 0 333.800 3.699 20 0 EHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000194215973 1030697198 /nfs/dbraw/zinc/69/71/98/1030697198.db2.gz UDLGIKZOUUZAEF-UHFFFAOYSA-N -1 0 335.425 3.592 20 0 EHADRM Cc1ccccc1CN(C)C(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000262603935 1030717156 /nfs/dbraw/zinc/71/71/56/1030717156.db2.gz KGNUJXRSXYLESD-CQSZACIVSA-N -1 0 343.448 3.832 20 0 EHADRM CCN(c1ccc(C)cc1)S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000392141781 1030777770 /nfs/dbraw/zinc/77/77/70/1030777770.db2.gz SBPUNLMIRRGPDD-UHFFFAOYSA-N -1 0 347.436 3.525 20 0 EHADRM O=C(Nc1cccc2ncccc21)c1cccc(Br)c1[O-] ZINC000537649946 1030791580 /nfs/dbraw/zinc/79/15/80/1030791580.db2.gz QSNLHCKBHDKJQQ-UHFFFAOYSA-N -1 0 343.180 3.955 20 0 EHADRM CC(C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl)=C1CCCC1 ZINC000161894337 1030856484 /nfs/dbraw/zinc/85/64/84/1030856484.db2.gz VVLRBBKJQLHVQO-UHFFFAOYSA-N -1 0 348.251 3.689 20 0 EHADRM O=C([O-])c1ccnc(/C=C\c2ccc(OCc3ccncc3)cc2)c1 ZINC000550973785 1030859478 /nfs/dbraw/zinc/85/94/78/1030859478.db2.gz GWVAJBIYHMECLF-RJRFIUFISA-N -1 0 332.359 3.924 20 0 EHADRM O=S(=O)([N-]c1nc2c(ccc3ccccc23)s1)c1ccoc1 ZINC000349943385 1030903906 /nfs/dbraw/zinc/90/39/06/1030903906.db2.gz CJGLPIUDRXIORD-UHFFFAOYSA-N -1 0 330.390 3.843 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cc1 ZINC000262817557 1030923518 /nfs/dbraw/zinc/92/35/18/1030923518.db2.gz AOGLUEYYFUICDW-LBPRGKRZSA-N -1 0 327.355 3.684 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000262815916 1030924379 /nfs/dbraw/zinc/92/43/79/1030924379.db2.gz ALTBIDBGFOOVIP-GLQYFDAESA-N -1 0 329.421 3.987 20 0 EHADRM CN1CCCN(C(=O)c2ccc(Cl)cc2[O-])c2ccc(F)cc21 ZINC000537680803 1030966123 /nfs/dbraw/zinc/96/61/23/1030966123.db2.gz SWVMERRHPDQCEM-UHFFFAOYSA-N -1 0 334.778 3.671 20 0 EHADRM COc1ccccc1CCN(C)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000194600232 1031013647 /nfs/dbraw/zinc/01/36/47/1031013647.db2.gz RSRKGAJXHWJJQQ-UHFFFAOYSA-N -1 0 337.778 3.508 20 0 EHADRM Cc1ccc(-n2ccc3c2cc(Br)cc3N)cc1C(=O)[O-] ZINC001211601673 1031053028 /nfs/dbraw/zinc/05/30/28/1031053028.db2.gz DZGGJXKFCFAGSH-UHFFFAOYSA-N -1 0 345.196 3.982 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)[N-]c2nc3c(s2)C[C@@H](C)CC3)c1 ZINC000476918490 1031082707 /nfs/dbraw/zinc/08/27/07/1031082707.db2.gz YASFPYHCSRDSLQ-VIFPVBQESA-N -1 0 340.445 3.516 20 0 EHADRM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccc(Cl)cc1O ZINC000349954966 1031089540 /nfs/dbraw/zinc/08/95/40/1031089540.db2.gz YSXQZVIKOXZEGX-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)C2CCC(C(F)(F)F)CC2)c1 ZINC000278494108 1031092309 /nfs/dbraw/zinc/09/23/09/1031092309.db2.gz WACKGSNQYMGHSX-UHFFFAOYSA-N -1 0 329.318 3.902 20 0 EHADRM Cc1ccc(Nc2ccc(N3CCOCC3)c(C)c2)cc1C(=O)[O-] ZINC001211604140 1031225701 /nfs/dbraw/zinc/22/57/01/1031225701.db2.gz QVHOSEUPSVMXLW-UHFFFAOYSA-N -1 0 326.396 3.582 20 0 EHADRM COc1ccc(CNc2cccc(C(=O)[O-])c2C)c(OC(F)F)c1 ZINC000551420776 1031315231 /nfs/dbraw/zinc/31/52/31/1031315231.db2.gz JMRLTHUJVLEPKE-UHFFFAOYSA-N -1 0 337.322 3.915 20 0 EHADRM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000551467848 1031366355 /nfs/dbraw/zinc/36/63/55/1031366355.db2.gz PDOPVUYVEJOWBY-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM Cc1noc(C)c1C[C@@H](C)N=c1nc(-c2ccccc2C)[n-]s1 ZINC000527899247 1031400893 /nfs/dbraw/zinc/40/08/93/1031400893.db2.gz MNKHXIWQKMWZTG-LLVKDONJSA-N -1 0 328.441 3.583 20 0 EHADRM Cc1[nH]nc([N-]S(=O)(=O)c2ccccc2Cl)c1-c1ccccc1 ZINC000536193252 1031430981 /nfs/dbraw/zinc/43/09/81/1031430981.db2.gz RQZHVUAZIPFEIY-UHFFFAOYSA-N -1 0 347.827 3.839 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CC[C@@H](C)C[C@@H](C)C1)C(=O)[O-] ZINC000668301289 1031431068 /nfs/dbraw/zinc/43/10/68/1031431068.db2.gz HWLWNAWTBKQTOT-MCIONIFRSA-N -1 0 335.469 3.760 20 0 EHADRM C[C@@H]1CCCC[C@H]1N(C)C(=O)N=c1[n-]nc(/C=C/c2ccco2)s1 ZINC000484092245 1031449192 /nfs/dbraw/zinc/44/91/92/1031449192.db2.gz AJCYVLMSRHZTDE-SNYUGRAUSA-N -1 0 346.456 3.766 20 0 EHADRM C[C@@H]1CCCC[C@H]1N(C)C(=O)N=c1[n-]nc(/C=C\c2ccco2)s1 ZINC000484092248 1031450310 /nfs/dbraw/zinc/45/03/10/1031450310.db2.gz AJCYVLMSRHZTDE-YJCXCIGHSA-N -1 0 346.456 3.766 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000668314567 1031459249 /nfs/dbraw/zinc/45/92/49/1031459249.db2.gz SDDPXRQHSFGQAE-CYBMUJFWSA-N -1 0 345.370 3.835 20 0 EHADRM C[C@H](C1CC1)N(C(=O)c1cc(Br)c(F)cc1[O-])C1CC1 ZINC000448686674 1031493883 /nfs/dbraw/zinc/49/38/83/1031493883.db2.gz LAKOMBPDMRBAEJ-MRVPVSSYSA-N -1 0 342.208 3.697 20 0 EHADRM CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000484198406 1031496458 /nfs/dbraw/zinc/49/64/58/1031496458.db2.gz FJHKUDHCHXRYJT-UHFFFAOYSA-N -1 0 345.342 3.692 20 0 EHADRM CCCCOc1ccccc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000515650770 1031499801 /nfs/dbraw/zinc/49/98/01/1031499801.db2.gz PCEOFHGBUFPPSY-UHFFFAOYSA-N -1 0 341.379 3.945 20 0 EHADRM Cc1cnc(Cl)c(CN[C@@H](CC(=O)[O-])c2ccc(F)cc2F)c1 ZINC000904001764 1031587620 /nfs/dbraw/zinc/58/76/20/1031587620.db2.gz FSEVAAIDSNLHIS-AWEZNQCLSA-N -1 0 340.757 3.627 20 0 EHADRM COc1ccc(-c2nc(CN[C@H](CC=C(C)C)C(=O)[O-])cs2)cc1 ZINC000904029993 1031636126 /nfs/dbraw/zinc/63/61/26/1031636126.db2.gz BGTUOYFNQHOHQQ-MRXNPFEDSA-N -1 0 346.452 3.718 20 0 EHADRM CC[C@@H](NCc1csc(-c2ccsc2)n1)c1nc(C(=O)[O-])c[nH]1 ZINC000904063867 1031690000 /nfs/dbraw/zinc/69/00/00/1031690000.db2.gz DRDGOFLBBWFYRB-LLVKDONJSA-N -1 0 348.453 3.534 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)c(C)c1 ZINC000475732891 1031696146 /nfs/dbraw/zinc/69/61/46/1031696146.db2.gz JLERWZTZFRHPMA-UHFFFAOYSA-N -1 0 341.379 3.781 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N(C)[C@H](C)c1cc(C)ccc1C ZINC000455901634 1031710548 /nfs/dbraw/zinc/71/05/48/1031710548.db2.gz TYZXMPINSVWNOF-CQSZACIVSA-N -1 0 329.396 3.665 20 0 EHADRM C[C@@H]1CN(C(=O)c2c([O-])cc(F)cc2F)CCc2ccc(F)cc21 ZINC000652996222 1031719334 /nfs/dbraw/zinc/71/93/34/1031719334.db2.gz WTMAFMVYHFPEQY-SNVBAGLBSA-N -1 0 335.325 3.612 20 0 EHADRM Cc1noc(C)c1[N-]S(=O)(=O)c1cccc(-c2ccccc2)c1 ZINC000349992372 1031770002 /nfs/dbraw/zinc/77/00/02/1031770002.db2.gz RGXRLUJQKSFJCH-UHFFFAOYSA-N -1 0 328.393 3.759 20 0 EHADRM COC(=O)[C@H]1CCc2cc(Nc3ccc(C)c(C(=O)[O-])c3)ccc21 ZINC001211610316 1031788757 /nfs/dbraw/zinc/78/87/57/1031788757.db2.gz PXLRARKCGXTGQF-INIZCTEOSA-N -1 0 325.364 3.640 20 0 EHADRM CCO[C@H]1C[C@H](NC(=O)c2cc(F)c(F)c([O-])c2F)C1(CC)CC ZINC000180126889 1031804871 /nfs/dbraw/zinc/80/48/71/1031804871.db2.gz ASAPYJNJSCMTJE-RYUDHWBXSA-N -1 0 345.361 3.523 20 0 EHADRM O=C([O-])N[C@H]1C[C@H](Nc2cccc(-c3nccs3)c2)C12CCC2 ZINC000904189266 1031833751 /nfs/dbraw/zinc/83/37/51/1031833751.db2.gz HIARYPOLVTZVDG-KBPBESRZSA-N -1 0 329.425 3.801 20 0 EHADRM CC(C)CC(=O)Nc1ccc(N[C@@H]2C[C@H](NC(=O)[O-])C23CCC3)cc1 ZINC000904194623 1031842643 /nfs/dbraw/zinc/84/26/43/1031842643.db2.gz IOCASDWMEZXOCF-CVEARBPZSA-N -1 0 345.443 3.662 20 0 EHADRM CSc1ccc(NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)cc1 ZINC000904195238 1031843839 /nfs/dbraw/zinc/84/38/39/1031843839.db2.gz RXSDIHXQZPGGIN-UHFFFAOYSA-N -1 0 346.452 3.915 20 0 EHADRM O=C([O-])N[C@H]1C[C@@H](Nc2cccc(CC(F)(F)F)c2)C12CCC2 ZINC000904201245 1031847161 /nfs/dbraw/zinc/84/71/61/1031847161.db2.gz ZFGZFBPHWKCMDM-OLZOCXBDSA-N -1 0 328.334 3.782 20 0 EHADRM COc1ccc2cc(N[C@@H]3C[C@H](NC(=O)[O-])C34CCC4)ccc2c1 ZINC000904239969 1031887895 /nfs/dbraw/zinc/88/78/95/1031887895.db2.gz QXZDTDPJYMKGMB-SJORKVTESA-N -1 0 326.396 3.839 20 0 EHADRM Cc1c(N[C@H]2C[C@H](NC(=O)[O-])C23CCC3)cccc1-c1ncco1 ZINC000904242228 1031888727 /nfs/dbraw/zinc/88/87/27/1031888727.db2.gz HJDTYRWIGDBBAX-GJZGRUSLSA-N -1 0 327.384 3.641 20 0 EHADRM c1ccc(-c2n[n-]c(=Nc3cccc(C4CCOCC4)c3)s2)nc1 ZINC000528199823 1031890589 /nfs/dbraw/zinc/89/05/89/1031890589.db2.gz XFZGRASQHCCJPO-UHFFFAOYSA-N -1 0 338.436 3.660 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1cc(-c2ccccc2Cl)on1)C1CCC1 ZINC000584243654 1032001807 /nfs/dbraw/zinc/00/18/07/1032001807.db2.gz PRDASBPRQXNXAD-NSHDSACASA-N -1 0 334.803 3.823 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC000448997265 1032003986 /nfs/dbraw/zinc/00/39/86/1032003986.db2.gz STQRLSBLFIKJCO-OAQYLSRUSA-N -1 0 337.419 3.511 20 0 EHADRM COc1ccc2c(c1)CCC[C@@H]2CC(=O)N[C@@](C)(CC(=O)[O-])C(C)C ZINC000448999949 1032006890 /nfs/dbraw/zinc/00/68/90/1032006890.db2.gz XOGKNJVPYCXMOW-QRWLVFNGSA-N -1 0 347.455 3.511 20 0 EHADRM COc1ccc2c(c1)CCC[C@@H]2CC(=O)N[C@](C)(CC(=O)[O-])C(C)C ZINC000448999947 1032007527 /nfs/dbraw/zinc/00/75/27/1032007527.db2.gz XOGKNJVPYCXMOW-FOIQADDNSA-N -1 0 347.455 3.511 20 0 EHADRM C[C@@H](NC(=O)Cc1ccc(C(=O)[O-])cc1)c1nc(C(C)(C)C)cs1 ZINC000448986197 1032015122 /nfs/dbraw/zinc/01/51/22/1032015122.db2.gz ABVNJMWVHNCZJR-LLVKDONJSA-N -1 0 346.452 3.559 20 0 EHADRM COc1cccc(Cl)c1C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC000449004929 1032044181 /nfs/dbraw/zinc/04/41/81/1032044181.db2.gz SJJHKUIBGBLSQI-CYBMUJFWSA-N -1 0 339.819 3.502 20 0 EHADRM CCN(CCO)c1ccc(Nc2ccc(C(=O)[O-])cc2C)c(C)c1 ZINC001211624733 1033395557 /nfs/dbraw/zinc/39/55/57/1033395557.db2.gz RWYRZUZCOMHYPM-UHFFFAOYSA-N -1 0 328.412 3.564 20 0 EHADRM CCO[C@H](CC)C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000533969793 1033504632 /nfs/dbraw/zinc/50/46/32/1033504632.db2.gz QQTQQKFMBVBQJQ-SNVBAGLBSA-N -1 0 336.613 3.562 20 0 EHADRM Cc1ccc(C=CS(=O)(=O)[N-]c2ccc(C)c3c[nH]nc32)cc1 ZINC000063635210 1033531706 /nfs/dbraw/zinc/53/17/06/1033531706.db2.gz ZVGRRTHTAJZPPC-MDZDMXLPSA-N -1 0 327.409 3.592 20 0 EHADRM CCC1CCN(C(=O)N=c2[n-]nc(Cc3ccc(C)cc3)s2)CC1 ZINC000594942258 1033588151 /nfs/dbraw/zinc/58/81/51/1033588151.db2.gz MTPCTIXYFUBZJZ-UHFFFAOYSA-N -1 0 344.484 3.513 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)nc1 ZINC000116603584 1033717126 /nfs/dbraw/zinc/71/71/26/1033717126.db2.gz GXDJYAYXXSPZPR-UHFFFAOYSA-N -1 0 348.371 3.623 20 0 EHADRM O=C(C=Cc1ccc(Cl)nc1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000255637696 1033869705 /nfs/dbraw/zinc/86/97/05/1033869705.db2.gz IDGVEFIJZYSJDF-KXFIGUGUSA-N -1 0 331.784 3.817 20 0 EHADRM COc1ccc(CSc2nc(-c3ccccc3)c(C)c(=O)[nH]2)cn1 ZINC000460437118 1033909907 /nfs/dbraw/zinc/90/99/07/1033909907.db2.gz KJLPINHQJGNWBM-UHFFFAOYSA-N -1 0 339.420 3.854 20 0 EHADRM CCOC(=O)c1csc(=N[C@@H](C)c2cccc(OC(C)C)c2)[n-]1 ZINC000450257673 1033976251 /nfs/dbraw/zinc/97/62/51/1033976251.db2.gz WXLYUYBZLIIRNV-LBPRGKRZSA-N -1 0 334.441 3.702 20 0 EHADRM CCCc1ccc(-c2cc([N-]S(=O)(=O)c3ccccc3)n[nH]2)cc1 ZINC000612065215 1033983980 /nfs/dbraw/zinc/98/39/80/1033983980.db2.gz KMWBLRHPTLOOLC-UHFFFAOYSA-N -1 0 341.436 3.830 20 0 EHADRM Cc1cc(CCC(=O)[O-])ccc1-c1cccc(CO[C@H]2CCOC2)c1 ZINC000514614363 1034004933 /nfs/dbraw/zinc/00/49/33/1034004933.db2.gz FFDRLDSQAFRAHT-IBGZPJMESA-N -1 0 340.419 3.985 20 0 EHADRM CCSCc1ccc(NC(=O)NC[C@@H](C(=O)[O-])C2CCC2)cc1 ZINC000596066704 1034066864 /nfs/dbraw/zinc/06/68/64/1034066864.db2.gz HJRVYDORXXHJKY-OAHLLOKOSA-N -1 0 336.457 3.562 20 0 EHADRM CSCc1ccccc1NC(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC000596063814 1034067134 /nfs/dbraw/zinc/06/71/34/1034067134.db2.gz UGHFVHPFBOKEDN-ZDUSSCGKSA-N -1 0 338.473 3.808 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]C(=O)C[C@H]2CCC[C@@H](C)C2)cc1 ZINC000080252327 1034249947 /nfs/dbraw/zinc/24/99/47/1034249947.db2.gz TUMAVKINJVHJCF-OLZOCXBDSA-N -1 0 325.430 3.557 20 0 EHADRM CSc1ccc(C(=O)N=c2[n-]nc(-c3cc(C)cc(C)c3)s2)o1 ZINC000604263579 1034309505 /nfs/dbraw/zinc/30/95/05/1034309505.db2.gz NWDHYHIMYQBHJG-UHFFFAOYSA-N -1 0 345.449 3.811 20 0 EHADRM CN(C(=O)Nc1cc(C(=O)[O-])ccc1OC(F)(F)F)C1CCCC1 ZINC000548876107 1034346890 /nfs/dbraw/zinc/34/68/90/1034346890.db2.gz PFBWZUVHYRWBDX-UHFFFAOYSA-N -1 0 346.305 3.690 20 0 EHADRM COc1cc(C)c(C(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)cc1OC ZINC000450512081 1034449821 /nfs/dbraw/zinc/44/98/21/1034449821.db2.gz RTGQEQPFYSEVLO-UHFFFAOYSA-N -1 0 343.379 3.580 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)c1ccccc1Cc1ccccc1 ZINC000604708777 1034462588 /nfs/dbraw/zinc/46/25/88/1034462588.db2.gz JWYUGTNROLPTRS-UHFFFAOYSA-N -1 0 329.403 3.619 20 0 EHADRM CCCc1occc1C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000450499137 1034463444 /nfs/dbraw/zinc/46/34/44/1034463444.db2.gz JZWCKXJXQDVIEN-AWEZNQCLSA-N -1 0 329.396 3.595 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)N2CCC[C@H]2C2CCCCC2)s[n-]1 ZINC000604800543 1034508954 /nfs/dbraw/zinc/50/89/54/1034508954.db2.gz CATFJCYUSXYLJP-ZDUSSCGKSA-N -1 0 336.505 3.834 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)N2CC(C)(C)[C@H]2c2ccccc2)s[n-]1 ZINC000604801433 1034510332 /nfs/dbraw/zinc/51/03/32/1034510332.db2.gz IVFDPARPLZYELP-CYBMUJFWSA-N -1 0 344.484 3.873 20 0 EHADRM CC1(C)CN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C[C@@H]1c1ccccc1 ZINC000450538822 1034513727 /nfs/dbraw/zinc/51/37/27/1034513727.db2.gz HPMPGSQOZHTJIE-BRWVUGGUSA-N -1 0 329.440 3.530 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1O)c1cccc(F)c1 ZINC000511335189 1034579174 /nfs/dbraw/zinc/57/91/74/1034579174.db2.gz SLLUDHDVEHCJLH-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM CC1(C(=O)[O-])CCN(c2cnc3cc(Cl)c(Cl)cc3n2)CC1 ZINC000647457306 1034592897 /nfs/dbraw/zinc/59/28/97/1034592897.db2.gz CJRLYJQOQQCKDA-UHFFFAOYSA-N -1 0 340.210 3.628 20 0 EHADRM CC[C@H](CCc1ccccc1)NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000529801193 1034595444 /nfs/dbraw/zinc/59/54/44/1034595444.db2.gz UDDHAXPUCBIAPJ-GFCCVEGCSA-N -1 0 337.341 3.951 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)c2ccn(C(C)C)c2C)s[n-]1 ZINC000450697228 1034710772 /nfs/dbraw/zinc/71/07/72/1034710772.db2.gz HXPHHFFGYKMPJE-UHFFFAOYSA-N -1 0 346.481 3.940 20 0 EHADRM CSc1ccc(O)c(C(=O)N2CCC[C@@H]2CC(=O)c2ccco2)c1 ZINC000612321588 1034772618 /nfs/dbraw/zinc/77/26/18/1034772618.db2.gz FNOGAHSDTFBGKZ-GFCCVEGCSA-N -1 0 345.420 3.585 20 0 EHADRM O=C(Nc1ccsc1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000605524672 1034777435 /nfs/dbraw/zinc/77/74/35/1034777435.db2.gz YWKAOWGKWYMWNF-UHFFFAOYSA-N -1 0 349.209 3.604 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)S[C@H](C)C(=O)[O-] ZINC000601986347 1034849175 /nfs/dbraw/zinc/84/91/75/1034849175.db2.gz CUPXUOYUBAFJIF-DTWKUNHWSA-N -1 0 335.347 3.547 20 0 EHADRM CC[C@@H](NC(=O)C[C@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000606149637 1034875774 /nfs/dbraw/zinc/87/57/74/1034875774.db2.gz PIDLGBYPBNOFIN-DOTOQJQBSA-N -1 0 347.361 3.791 20 0 EHADRM CC[C@@H](Sc1n[n-]c(=NCC(C)C)s1)C(=O)c1ccccc1 ZINC000606150574 1034876223 /nfs/dbraw/zinc/87/62/23/1034876223.db2.gz ISRVIFRTUOSAJF-CYBMUJFWSA-N -1 0 335.498 3.782 20 0 EHADRM Cc1ccc(SCC(=O)NCC2(CC(=O)[O-])CCCCC2)cc1 ZINC000390871770 1034894160 /nfs/dbraw/zinc/89/41/60/1034894160.db2.gz PFGABYDWRAAAGK-UHFFFAOYSA-N -1 0 335.469 3.629 20 0 EHADRM CC(C)(C)c1ccc(O)c([N-]S(=O)(=O)c2sccc2F)c1 ZINC000450975050 1034975156 /nfs/dbraw/zinc/97/51/56/1034975156.db2.gz XESCHKZTKYUEIR-UHFFFAOYSA-N -1 0 329.418 3.691 20 0 EHADRM C[C@H](CC(=O)[O-])c1ccc(NS(=O)(=O)CC2CCCCC2)cc1 ZINC000391428565 1035010880 /nfs/dbraw/zinc/01/08/80/1035010880.db2.gz GAOCRBZCJNMMAI-CYBMUJFWSA-N -1 0 339.457 3.587 20 0 EHADRM CCn1nc(C)cc1[N-]S(=O)(=O)c1cc(C(C)C)ccc1Cl ZINC000530158625 1035026619 /nfs/dbraw/zinc/02/66/19/1035026619.db2.gz WICPUKGQEFLHSF-UHFFFAOYSA-N -1 0 341.864 3.789 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1Cl)N(C)Cc1cnc(C(=O)[O-])cn1 ZINC000530163409 1035033256 /nfs/dbraw/zinc/03/32/56/1035033256.db2.gz XSJIOGUXXHRMLP-VIFPVBQESA-N -1 0 340.210 3.675 20 0 EHADRM C[C@H]1CC(F)(F)CCN1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000530172332 1035044457 /nfs/dbraw/zinc/04/44/57/1035044457.db2.gz HGHKARCUTBUQPX-NSHDSACASA-N -1 0 336.338 3.659 20 0 EHADRM CC(C)Cn1ncc([N-]S(=O)(=O)c2sccc2F)c1C(C)C ZINC000451027668 1035047535 /nfs/dbraw/zinc/04/75/35/1035047535.db2.gz PTOUOPUXUXEHFE-UHFFFAOYSA-N -1 0 345.465 3.664 20 0 EHADRM Cc1sc(N2CCc3c(cccc3C(F)(F)F)C2)nc1C(=O)[O-] ZINC000530179060 1035051354 /nfs/dbraw/zinc/05/13/54/1035051354.db2.gz PAQLJDFPDIYDJN-UHFFFAOYSA-N -1 0 342.342 3.731 20 0 EHADRM C[S@](=O)c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000612774470 1035214647 /nfs/dbraw/zinc/21/46/47/1035214647.db2.gz BLUQGSMSWWJGEW-NRFANRHFSA-N -1 0 344.219 3.689 20 0 EHADRM CC[C@@H](C(=O)[O-])[S@](=O)Cc1nc(-c2ccccc2Cl)cs1 ZINC000570375560 1035222518 /nfs/dbraw/zinc/22/25/18/1035222518.db2.gz AEVPWRDWRVVKAK-LAJNKCICSA-N -1 0 343.857 3.575 20 0 EHADRM Clc1ccc([C@H](N=c2ncnc3[nH][nH]cc2-3)C2CCCC2)cc1 ZINC000511385940 1035254958 /nfs/dbraw/zinc/25/49/58/1035254958.db2.gz TZAVHWKMTJYACR-OAHLLOKOSA-N -1 0 327.819 3.723 20 0 EHADRM CCO[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1ccccc1C)C1=CCCC1 ZINC000431771161 1035459666 /nfs/dbraw/zinc/45/96/66/1035459666.db2.gz VDIPNVUDQLOGGF-MSOLQXFVSA-N -1 0 345.439 3.533 20 0 EHADRM CCc1ccc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)cc1OC ZINC000414090072 1035477124 /nfs/dbraw/zinc/47/71/24/1035477124.db2.gz KOEKTHNFQUDWNF-HXUWFJFHSA-N -1 0 341.407 3.629 20 0 EHADRM Cc1ccc(CC(=O)Nc2cc(Cl)cc(Br)c2[O-])o1 ZINC000534704350 1035500527 /nfs/dbraw/zinc/50/05/27/1035500527.db2.gz HHMQRRNMZHSVOG-UHFFFAOYSA-N -1 0 344.592 3.891 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccn2)cc1Cl ZINC000185624244 1035504646 /nfs/dbraw/zinc/50/46/46/1035504646.db2.gz OIGXSAODSCHZNU-UHFFFAOYSA-N -1 0 349.264 3.911 20 0 EHADRM Cc1ccc(Br)cc1C[S@](=O)[C@H](CC(C)C)C(=O)[O-] ZINC000571498871 1035510033 /nfs/dbraw/zinc/51/00/33/1035510033.db2.gz ZLZWHNICFUSFFQ-YJYMSZOUSA-N -1 0 347.274 3.506 20 0 EHADRM Cc1nc2ccc(CN=c3[n-]nc(-c4cccs4)o3)cc2s1 ZINC000492241439 1035518485 /nfs/dbraw/zinc/51/84/85/1035518485.db2.gz PZGRHEDOVYZXHK-UHFFFAOYSA-N -1 0 328.422 3.750 20 0 EHADRM CO[C@H](C)c1nc(=NCc2ccc(-c3ccccc3)cc2)s[n-]1 ZINC000509711374 1035520636 /nfs/dbraw/zinc/52/06/36/1035520636.db2.gz IJVWYVUMALLEGE-CYBMUJFWSA-N -1 0 325.437 3.947 20 0 EHADRM CO[C@@H](C)c1nsc(=NCCCCCOC2CCCCC2)[n-]1 ZINC000509714126 1035522903 /nfs/dbraw/zinc/52/29/03/1035522903.db2.gz QPDQTLOJADMANT-ZDUSSCGKSA-N -1 0 327.494 3.599 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1c1nc2cc(C(F)(F)F)ccc2s1 ZINC000571527164 1035545455 /nfs/dbraw/zinc/54/54/55/1035545455.db2.gz SLVIEHWWMLTRGC-VIFPVBQESA-N -1 0 330.331 3.759 20 0 EHADRM Cc1ccc(CNC(=O)C[C@@](C)(C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000414111718 1035555379 /nfs/dbraw/zinc/55/53/79/1035555379.db2.gz JGQPQFWUCJJGCP-LJQANCHMSA-N -1 0 345.826 3.697 20 0 EHADRM C[C@@H](CC(=O)NC1(CC(=O)[O-])CCCCC1)Cc1cccc(F)c1 ZINC000540704671 1035585643 /nfs/dbraw/zinc/58/56/43/1035585643.db2.gz IGGFVHQSBQFTHD-CQSZACIVSA-N -1 0 335.419 3.688 20 0 EHADRM CCOC(=O)Nc1ccc(NS(=O)(=O)c2ccc(CC)cc2)cc1 ZINC000055600399 1035618862 /nfs/dbraw/zinc/61/88/62/1035618862.db2.gz FIUNZQFRNBHFHZ-UHFFFAOYSA-N -1 0 348.424 3.618 20 0 EHADRM CCC(CC)n1ncc(C(=O)N[C@@H](CC(=O)[O-])C2CCCCC2)c1C ZINC000431813866 1035669941 /nfs/dbraw/zinc/66/99/41/1035669941.db2.gz UWSRTBVTJXJKMO-KRWDZBQOSA-N -1 0 349.475 3.706 20 0 EHADRM Fc1cc(CN=c2[n-]c(-c3ccccc3)no2)ccc1Br ZINC000588162652 1035731176 /nfs/dbraw/zinc/73/11/76/1035731176.db2.gz QCRUGSJHGXOUPK-UHFFFAOYSA-N -1 0 348.175 3.672 20 0 EHADRM Fc1ccc2c(c1)[C@@H](N=c1[n-]c(-c3ccccc3)no1)CCCO2 ZINC000588161855 1035731198 /nfs/dbraw/zinc/73/11/98/1035731198.db2.gz CFUYSBPITHGABQ-HNNXBMFYSA-N -1 0 325.343 3.623 20 0 EHADRM Brc1cc(CN=c2[n-]c(-c3ccccc3)no2)cs1 ZINC000588160564 1035732004 /nfs/dbraw/zinc/73/20/04/1035732004.db2.gz CJJSGBIJSGVECS-UHFFFAOYSA-N -1 0 336.214 3.595 20 0 EHADRM CCCN(C(=O)N=c1nc(-c2ccccc2Cl)[n-]s1)C(C)C ZINC000571892763 1035775592 /nfs/dbraw/zinc/77/55/92/1035775592.db2.gz KZNXRRBINMHNSX-UHFFFAOYSA-N -1 0 338.864 3.933 20 0 EHADRM CC[C@H](c1n[n-]c(=NC(=O)N2CC(C)(CC)C2)s1)c1ccccc1 ZINC000463748382 1035806467 /nfs/dbraw/zinc/80/64/67/1035806467.db2.gz SDYMWHQOEIWYPY-AWEZNQCLSA-N -1 0 344.484 3.766 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CCS[C@H]2CCCC[C@@H]21 ZINC000571940020 1035840740 /nfs/dbraw/zinc/84/07/40/1035840740.db2.gz LUCBPXFVPLNFBQ-STQMWFEESA-N -1 0 345.386 3.911 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)N2CCC3(CCCCC3)CC2)s1 ZINC000588249109 1035883170 /nfs/dbraw/zinc/88/31/70/1035883170.db2.gz PMXZSOYCPHEMRX-UHFFFAOYSA-N -1 0 336.505 3.836 20 0 EHADRM CC(C)c1cc(C(=O)Nc2ccc(F)c(F)c2[O-])nn1C(C)(C)C ZINC000457305375 1035964447 /nfs/dbraw/zinc/96/44/47/1035964447.db2.gz ZBOTXAIMTCQHNH-UHFFFAOYSA-N -1 0 337.370 3.998 20 0 EHADRM O=c1nc(COc2ccccc2)[n-]c2c(-c3ccccc3)nsc21 ZINC000541161736 1036040937 /nfs/dbraw/zinc/04/09/37/1036040937.db2.gz ZWVPVCCJWDKZPP-UHFFFAOYSA-N -1 0 335.388 3.626 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(-c2cccc(CO[C@@H]3CCOC3)c2)cc1 ZINC000521645759 1036051939 /nfs/dbraw/zinc/05/19/39/1036051939.db2.gz LODOGIZGJYMBDS-AUUYWEPGSA-N -1 0 326.392 3.847 20 0 EHADRM Cc1cc(C(=O)N2CCCC[C@@H]2C(=O)[O-])sc1-c1ccccc1 ZINC000572494595 1036117404 /nfs/dbraw/zinc/11/74/04/1036117404.db2.gz ZONYEKQLRPAURC-CQSZACIVSA-N -1 0 329.421 3.803 20 0 EHADRM CC[C@@H](CC(=O)N=c1nc(-c2cccnc2)[n-]s1)c1ccccc1 ZINC000535174254 1036139345 /nfs/dbraw/zinc/13/93/45/1036139345.db2.gz RBFQDSHYZMSNEK-ZDUSSCGKSA-N -1 0 338.436 3.544 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N2C[C@@H](C)CC[C@@H]2C)s1 ZINC000572573558 1036414970 /nfs/dbraw/zinc/41/49/70/1036414970.db2.gz FDDDHGFUMFUEQI-JQWIXIFHSA-N -1 0 348.447 3.727 20 0 EHADRM Cn1ccc2c1cccc2[N-]S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000547434390 1036428604 /nfs/dbraw/zinc/42/86/04/1036428604.db2.gz BIBATUZVTCJQNW-UHFFFAOYSA-N -1 0 343.383 3.600 20 0 EHADRM Cc1nc(=NC(=O)c2ccc(-c3ccc(C)cc3)cc2F)s[n-]1 ZINC000464424846 1036444879 /nfs/dbraw/zinc/44/48/79/1036444879.db2.gz INVNGAJXCHVFCM-UHFFFAOYSA-N -1 0 327.384 3.635 20 0 EHADRM Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2[O-])c(C2CC2)n1 ZINC000572734203 1036475279 /nfs/dbraw/zinc/47/52/79/1036475279.db2.gz YNJDYTHMJQTEHK-UHFFFAOYSA-N -1 0 337.301 3.639 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@H](CC(F)F)c2ccccc2)CCCCC1 ZINC000572832102 1036513214 /nfs/dbraw/zinc/51/32/14/1036513214.db2.gz YEESVOQTWLLHAE-CQSZACIVSA-N -1 0 339.382 3.924 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnc(C(F)(F)F)cc2C)cc1C ZINC000685902720 1036513990 /nfs/dbraw/zinc/51/39/90/1036513990.db2.gz YTACHHSWAADSRW-UHFFFAOYSA-N -1 0 344.358 3.826 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2cn3c(n2)CCC[C@H]3C)c1Cl ZINC000572855332 1036537339 /nfs/dbraw/zinc/53/73/39/1036537339.db2.gz KMMTXZLISMSFHY-LLVKDONJSA-N -1 0 339.848 3.543 20 0 EHADRM CCCOc1ccc(S(=O)(=O)[N-]c2cccc3c2OCCC3)cc1 ZINC000464549216 1036554688 /nfs/dbraw/zinc/55/46/88/1036554688.db2.gz LJTLIDNCTIGOTR-UHFFFAOYSA-N -1 0 347.436 3.601 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccccc2SC(F)F)C1 ZINC000263164335 1036563041 /nfs/dbraw/zinc/56/30/41/1036563041.db2.gz QZOBTURMRZMLCA-UWVGGRQHSA-N -1 0 344.383 3.576 20 0 EHADRM O=S(=O)([N-]c1cccnc1Nc1ccccc1)c1ccccc1F ZINC000535513409 1036575307 /nfs/dbraw/zinc/57/53/07/1036575307.db2.gz IYZWKTBMMSOANU-UHFFFAOYSA-N -1 0 343.383 3.765 20 0 EHADRM CCCCN([C@@H](C)CC)S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000321355099 1036599767 /nfs/dbraw/zinc/59/97/67/1036599767.db2.gz YPGUNMNPPLDLFS-AWEZNQCLSA-N -1 0 341.473 3.591 20 0 EHADRM CCC[C@H](CNC(=O)c1ccccc1SCC=C(C)C)C(=O)[O-] ZINC000263239186 1036680863 /nfs/dbraw/zinc/68/08/63/1036680863.db2.gz SZJCLRPUCYWPOM-CQSZACIVSA-N -1 0 335.469 3.976 20 0 EHADRM O=C([O-])c1cc(/C=C/c2ccc(-c3c(F)cccc3F)o2)ncn1 ZINC000535592631 1036696248 /nfs/dbraw/zinc/69/62/48/1036696248.db2.gz QTJSWQWNFTVYBY-SNAWJCMRSA-N -1 0 328.274 3.883 20 0 EHADRM O=C(Nc1nc(-c2ccncc2)cs1)c1ccc(Cl)cc1[O-] ZINC000669821184 1036698467 /nfs/dbraw/zinc/69/84/67/1036698467.db2.gz IXCIPHBRDRLGAY-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM C[C@H]1CC[C@H](C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)CC1 ZINC000653280036 1036737942 /nfs/dbraw/zinc/73/79/42/1036737942.db2.gz YIJYQTMTJFOPBD-KOMQPUFPSA-N -1 0 329.440 3.917 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)C(C)(C)c2cccc(F)c2)cc1 ZINC000263327345 1036778230 /nfs/dbraw/zinc/77/82/30/1036778230.db2.gz OZTOACGACGDZHM-GFCCVEGCSA-N -1 0 329.371 3.930 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@H]2C[C@@]23CCc2ccccc23)c1 ZINC000263325357 1036779094 /nfs/dbraw/zinc/77/90/94/1036779094.db2.gz ONYFRUMDVVRGDJ-WMHILYHISA-N -1 0 335.403 3.717 20 0 EHADRM CCCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263344341 1036790843 /nfs/dbraw/zinc/79/08/43/1036790843.db2.gz GFWOVYJEVJUBDH-UHFFFAOYSA-N -1 0 344.386 3.646 20 0 EHADRM CCC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000756009277 1036843299 /nfs/dbraw/zinc/84/32/99/1036843299.db2.gz HGCDRMLCDIRVPY-UHFFFAOYSA-N -1 0 338.256 3.625 20 0 EHADRM CCCOc1cccc(C(=O)N(CCC(=O)[O-])Cc2ccccc2)c1 ZINC000590410914 1036865723 /nfs/dbraw/zinc/86/57/23/1036865723.db2.gz HPRFISIPYMXRNU-UHFFFAOYSA-N -1 0 341.407 3.593 20 0 EHADRM Cc1sc(C(=O)N2CCC[C@]2(C)C(=O)[O-])cc1-c1ccc(F)cc1 ZINC000263411467 1036878939 /nfs/dbraw/zinc/87/89/39/1036878939.db2.gz HARCKGMWLPYBTF-GOSISDBHSA-N -1 0 347.411 3.942 20 0 EHADRM COc1ccc([C@@H](N=c2nc(C)[n-]s2)c2ccc(C)cc2)cc1 ZINC000462376363 1036893681 /nfs/dbraw/zinc/89/36/81/1036893681.db2.gz JMNMDJAKRBFYRK-KRWDZBQOSA-N -1 0 325.437 3.787 20 0 EHADRM O=C([O-])CC[C@H](CC1CCCCC1)NC(=O)c1ccncc1Cl ZINC000263420378 1036900157 /nfs/dbraw/zinc/90/01/57/1036900157.db2.gz PGJNHPPUUFYVRT-CYBMUJFWSA-N -1 0 338.835 3.669 20 0 EHADRM CCN(CC)[C@@H](CN=c1nc(-c2ccccc2)[n-]s1)c1ccco1 ZINC000462380200 1036901755 /nfs/dbraw/zinc/90/17/55/1036901755.db2.gz VKTJJHSSLGQALZ-HNNXBMFYSA-N -1 0 342.468 3.715 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1csc(-c2ccccc2C)n1 ZINC000539570941 1036929901 /nfs/dbraw/zinc/92/99/01/1036929901.db2.gz GJRZGZQQGMQQDI-UHFFFAOYSA-N -1 0 346.452 3.882 20 0 EHADRM Cc1cccc(Oc2ccccc2NC(=O)N(C)C[C@H](C)C(=O)[O-])c1 ZINC000263451061 1036938377 /nfs/dbraw/zinc/93/83/77/1036938377.db2.gz AORFAMGQUCSIRR-AWEZNQCLSA-N -1 0 342.395 3.972 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)C1CCCCC1 ZINC000539607852 1036970520 /nfs/dbraw/zinc/97/05/20/1036970520.db2.gz AVGBESUNZGRYOX-AWEZNQCLSA-N -1 0 343.345 3.859 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)s1 ZINC000321604067 1036984800 /nfs/dbraw/zinc/98/48/00/1036984800.db2.gz RNVWRALUOLYKKM-FZKQIMNGSA-N -1 0 331.437 3.666 20 0 EHADRM Cc1ccccc1OCc1nc(=O)c2snc(-c3ccccc3)c2[n-]1 ZINC000542087150 1037052251 /nfs/dbraw/zinc/05/22/51/1037052251.db2.gz BSJDOWAYVOSIBW-UHFFFAOYSA-N -1 0 349.415 3.934 20 0 EHADRM O=C([O-])c1cccc(CC(=O)NC(c2ccccc2)c2ccccc2)c1 ZINC000539675235 1037053083 /nfs/dbraw/zinc/05/30/83/1037053083.db2.gz CDWSOFAZVNIZJI-UHFFFAOYSA-N -1 0 345.398 3.833 20 0 EHADRM CCOC(=O)c1onc(-c2ccccc2)c1NC(=O)c1cocc1C ZINC001272555982 1037074236 /nfs/dbraw/zinc/07/42/36/1037074236.db2.gz VBIXWGYSKLZLCL-UHFFFAOYSA-N -1 0 340.335 3.672 20 0 EHADRM Cc1oc(-c2ccccc2)nc1Cc1noc(-c2ccccc2O)n1 ZINC000761501882 1037075568 /nfs/dbraw/zinc/07/55/68/1037075568.db2.gz RUXBACMRHDPNPZ-UHFFFAOYSA-N -1 0 333.347 3.996 20 0 EHADRM Cc1cc(CN=c2[n-]nc(CC(C)(C)C)o2)c(OC(F)F)cc1C ZINC000539694073 1037084047 /nfs/dbraw/zinc/08/40/47/1037084047.db2.gz SPZFOQJTUBSEIX-UHFFFAOYSA-N -1 0 339.386 3.910 20 0 EHADRM Cc1nn(C)c(S(=O)(=O)[N-]c2cccc(C(C)C)c2)c1C(F)F ZINC000414374196 1037085365 /nfs/dbraw/zinc/08/53/65/1037085365.db2.gz UBGQHHBNWZVHSI-UHFFFAOYSA-N -1 0 343.399 3.590 20 0 EHADRM COc1ccc(CN=c2[n-]nc(C(C)(C)C)s2)c(Cl)c1OC ZINC000539709546 1037096688 /nfs/dbraw/zinc/09/66/88/1037096688.db2.gz VATGZMPDLRDYAW-UHFFFAOYSA-N -1 0 341.864 3.540 20 0 EHADRM CC(=CC(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1)c1ccccc1 ZINC000054428110 1037096723 /nfs/dbraw/zinc/09/67/23/1037096723.db2.gz IODWCLHJPPIRBJ-QBFSEMIESA-N -1 0 333.384 3.716 20 0 EHADRM CCCCCOc1cc(C)ccc1CN=c1nc(COC)[n-]s1 ZINC000465053084 1037108642 /nfs/dbraw/zinc/10/86/42/1037108642.db2.gz OUFGTXOJZFYMRF-UHFFFAOYSA-N -1 0 335.473 3.596 20 0 EHADRM CC(C)c1ccc(-c2ncc(C[S@](=O)[C@@H](C)C(=O)[O-])s2)cc1 ZINC000590900264 1037129592 /nfs/dbraw/zinc/12/95/92/1037129592.db2.gz GRVNMMWFJYUVPL-SAHAZLINSA-N -1 0 337.466 3.655 20 0 EHADRM CC(C)C[C@H](C(=O)[O-])[S@](=O)Cc1csc(-c2ccsc2)n1 ZINC000590901672 1037131203 /nfs/dbraw/zinc/13/12/03/1037131203.db2.gz RDFXDQOZESDQQA-XUSGNXJCSA-N -1 0 343.495 3.620 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc2c(cccc2F)s1 ZINC000324003750 1037177254 /nfs/dbraw/zinc/17/72/54/1037177254.db2.gz GUIFLEGVUHLASL-GDLCADMTSA-N -1 0 347.411 3.898 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cnn([C@@H](C)C2CC2)c1 ZINC000414382165 1037183534 /nfs/dbraw/zinc/18/35/34/1037183534.db2.gz ODEXUQPUOKRAMS-NSHDSACASA-N -1 0 339.848 3.617 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2ccccc2-n2nccc2C)c1 ZINC000542236302 1037187157 /nfs/dbraw/zinc/18/71/57/1037187157.db2.gz WLXWAKUJFJHDDQ-UHFFFAOYSA-N -1 0 341.436 3.544 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)CCCOc1ccc(C(C)(C)C)cc1 ZINC000089287533 1037213050 /nfs/dbraw/zinc/21/30/50/1037213050.db2.gz QKMAFBGSQYMGRF-UHFFFAOYSA-N -1 0 339.457 3.615 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)CCCCCO[C@H]1CCC[C@@H](C)C1 ZINC000089286376 1037231565 /nfs/dbraw/zinc/23/15/65/1037231565.db2.gz ADTMIHCNDWAKPK-CABCVRRESA-N -1 0 331.478 3.614 20 0 EHADRM O=C([O-])[C@H](CNC(=O)[C@H]1CC[C@H](C2CCC2)CC1)c1ccccc1 ZINC000659136548 1037347608 /nfs/dbraw/zinc/34/76/08/1037347608.db2.gz LVYAMIZAPKKUCD-KBAYOESNSA-N -1 0 329.440 3.578 20 0 EHADRM O=C([O-])CN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(C2CC2)cc1 ZINC000659146864 1037381722 /nfs/dbraw/zinc/38/17/22/1037381722.db2.gz KPXMTTSJKAICBV-UHFFFAOYSA-N -1 0 345.345 3.569 20 0 EHADRM CCCc1n[n-]c(=NC(=O)c2cc3c(ccc4ccccc34)[nH]2)s1 ZINC000491376030 1037431235 /nfs/dbraw/zinc/43/12/35/1037431235.db2.gz SZGPMAQNVBOCKP-UHFFFAOYSA-N -1 0 336.420 3.799 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2cc(C)c(C)cc2Cl)n1 ZINC000659181662 1037433136 /nfs/dbraw/zinc/43/31/36/1037433136.db2.gz BMIRNFUIWLETBU-CQSZACIVSA-N -1 0 349.818 3.831 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)C2CC3(C2)CCCCC3)n1 ZINC000659183987 1037435392 /nfs/dbraw/zinc/43/53/92/1037435392.db2.gz GKYBLYQWZNPXAX-AWEZNQCLSA-N -1 0 333.432 3.608 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3ccccc3o2)[C@H]2CCCC[C@@H]12 ZINC000659190908 1037443369 /nfs/dbraw/zinc/44/33/69/1037443369.db2.gz VNVQCDPHWYDJQP-ZNMIVQPWSA-N -1 0 327.380 3.538 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CCCc3sccc32)[C@H]2CCCC[C@H]12 ZINC000659190149 1037443673 /nfs/dbraw/zinc/44/36/73/1037443673.db2.gz IRWGFMZHJHWAHP-MIGQKNRLSA-N -1 0 347.480 3.660 20 0 EHADRM O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)c1ccc([O-])c(Cl)c1 ZINC000171092512 1037452911 /nfs/dbraw/zinc/45/29/11/1037452911.db2.gz UECIYKLUCZFZBE-SJORKVTESA-N -1 0 331.799 3.696 20 0 EHADRM O=c1nc(CN2CC3(CCCC3)c3ccccc32)[n-]c2ccsc21 ZINC000177293665 1037455901 /nfs/dbraw/zinc/45/59/01/1037455901.db2.gz AMNPKZTYIHRIBE-UHFFFAOYSA-N -1 0 337.448 3.817 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(Cl)s2)[C@H]2CCCC[C@H]12 ZINC000659192793 1037459826 /nfs/dbraw/zinc/45/98/26/1037459826.db2.gz HDVNRPAYQIRWFY-MXWKQRLJSA-N -1 0 327.833 3.507 20 0 EHADRM Cc1cccc2sc(C(=O)N[C@](C)(CCF)C(=O)[O-])c(Cl)c21 ZINC000659216850 1037505366 /nfs/dbraw/zinc/50/53/66/1037505366.db2.gz TYUNORLFNQMUJD-OAHLLOKOSA-N -1 0 343.807 3.796 20 0 EHADRM CCO[C@@H](CCNC(=O)c1ccc([O-])c(Cl)c1)C1CCCC1 ZINC000177433120 1037531052 /nfs/dbraw/zinc/53/10/52/1037531052.db2.gz TYWXNDNRKMJCJA-INIZCTEOSA-N -1 0 325.836 3.761 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000653288235 1037551052 /nfs/dbraw/zinc/55/10/52/1037551052.db2.gz OAVMWNRLEMKIAX-ZDUSSCGKSA-N -1 0 339.819 3.561 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)CSc1ccc2ccccc2c1 ZINC000659235936 1037552497 /nfs/dbraw/zinc/55/24/97/1037552497.db2.gz RDBNYQMCYGTSFX-QFBILLFUSA-N -1 0 343.448 3.692 20 0 EHADRM CCOc1ccc(CCC(=O)Nc2cc(C(=O)CC)ccc2[O-])cc1 ZINC000462929836 1037557894 /nfs/dbraw/zinc/55/78/94/1037557894.db2.gz SQWUKNZBRFNPMB-UHFFFAOYSA-N -1 0 341.407 3.955 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCc1cccc(Cl)c1 ZINC000532556397 1037624761 /nfs/dbraw/zinc/62/47/61/1037624761.db2.gz KTTDHZHMRRWUCZ-KBMXLJTQSA-N -1 0 335.831 3.517 20 0 EHADRM CC(C)(C)C[C@@H]([N-]S(=O)(=O)CCCC(C)(F)F)C(F)(F)F ZINC000914338382 1037680709 /nfs/dbraw/zinc/68/07/09/1037680709.db2.gz XEIHYBDQMFXRAJ-SECBINFHSA-N -1 0 339.370 3.708 20 0 EHADRM Cc1ccsc1-c1n[n-]c(=NC(C)(C)C)n1C[C@@H]1CCCCO1 ZINC000463109270 1037764285 /nfs/dbraw/zinc/76/42/85/1037764285.db2.gz QHGMVOPDMRBYFR-ZDUSSCGKSA-N -1 0 334.489 3.516 20 0 EHADRM Cc1[nH]c2ccccc2c1C([O-])=CS(=O)(=O)c1ccc(C)c(C)c1 ZINC000491958034 1037806387 /nfs/dbraw/zinc/80/63/87/1037806387.db2.gz OYOKVAOCQKLDRH-UHFFFAOYSA-N -1 0 341.432 3.750 20 0 EHADRM COc1cc(C)c([N-]S(=O)(=O)c2c(F)cccc2F)c(C)c1C ZINC000584551552 1037827984 /nfs/dbraw/zinc/82/79/84/1037827984.db2.gz MVCRILMIAPSPOZ-UHFFFAOYSA-N -1 0 341.379 3.699 20 0 EHADRM CC(C)CC1CCN(C(=O)c2nn(-c3ccccc3F)cc2[O-])CC1 ZINC000760934561 1037838585 /nfs/dbraw/zinc/83/85/85/1037838585.db2.gz FPNNTBZEWUANAO-UHFFFAOYSA-N -1 0 345.418 3.615 20 0 EHADRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1noc2cc(Cl)ccc21 ZINC000584552432 1037846381 /nfs/dbraw/zinc/84/63/81/1037846381.db2.gz BDXDIPLXVRFORQ-UHFFFAOYSA-N -1 0 340.763 3.730 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)N(C)[C@H]2CCCC[C@H]2C)cc1 ZINC000475883873 1037852246 /nfs/dbraw/zinc/85/22/46/1037852246.db2.gz OZHLPZCVWPWGSA-KFCXZAFISA-N -1 0 335.513 3.955 20 0 EHADRM CCc1n[n-]c(=NC(=O)c2ccc(-c3ccc(CC)cc3)o2)s1 ZINC000463172663 1037853156 /nfs/dbraw/zinc/85/31/56/1037853156.db2.gz NOFNQEHFETTYKJ-UHFFFAOYSA-N -1 0 327.409 3.597 20 0 EHADRM O=C(CCn1cccn1)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000179646773 1037876308 /nfs/dbraw/zinc/87/63/08/1037876308.db2.gz GDOIARQLHOKWHV-UHFFFAOYSA-N -1 0 334.590 3.578 20 0 EHADRM C[C@@H](CC(=O)NCC1(C(=O)[O-])CCC1)c1ccccc1C(F)(F)F ZINC000532612141 1037918692 /nfs/dbraw/zinc/91/86/92/1037918692.db2.gz YJVZUWZJRVALEX-NSHDSACASA-N -1 0 343.345 3.570 20 0 EHADRM Cc1ccc(NC(=O)c2cc(F)c(F)c([O-])c2F)c2cccnc12 ZINC000183352630 1037945611 /nfs/dbraw/zinc/94/56/11/1037945611.db2.gz LEHHRVQCZYBACV-UHFFFAOYSA-N -1 0 332.281 3.918 20 0 EHADRM CC(C)Oc1ccc(NC(=O)c2cc(F)c(F)c([O-])c2F)cc1 ZINC000183421099 1037947748 /nfs/dbraw/zinc/94/77/48/1037947748.db2.gz IPHQMTIQSABGNY-UHFFFAOYSA-N -1 0 325.286 3.849 20 0 EHADRM Cc1ccccc1-c1n[n-]c(=NCc2ccccc2OCC2CC2)o1 ZINC000573973542 1037959095 /nfs/dbraw/zinc/95/90/95/1037959095.db2.gz LMKJXPRYDCQFQX-UHFFFAOYSA-N -1 0 335.407 3.868 20 0 EHADRM COc1ccc([C@@H](C)N(C)C(=O)/C=C\c2ccc(C(=O)[O-])cc2)cc1 ZINC000492156761 1038057961 /nfs/dbraw/zinc/05/79/61/1038057961.db2.gz QSYCQRREJOCZIZ-CNTYAEFGSA-N -1 0 339.391 3.626 20 0 EHADRM O=C([O-])[C@H]1CC12CCN(C(=O)/C=C\c1cccc3ccccc13)CC2 ZINC000492154692 1038058082 /nfs/dbraw/zinc/05/80/82/1038058082.db2.gz KEQFTBYULDPFJY-CNZFZVQHSA-N -1 0 335.403 3.566 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)Cc3ccco3)n2)cc1 ZINC000124064185 1038129250 /nfs/dbraw/zinc/12/92/50/1038129250.db2.gz NEJORFUNTUSNMC-UHFFFAOYSA-N -1 0 339.395 3.567 20 0 EHADRM CCOC(=O)c1cc(NC(=O)c2oc3ccc(Cl)cc3c2C)[nH]n1 ZINC000180932125 1038290444 /nfs/dbraw/zinc/29/04/44/1038290444.db2.gz UBDWWDCXZSJCKN-UHFFFAOYSA-N -1 0 347.758 3.547 20 0 EHADRM O=S(=O)([N-]c1cccc2cccnc21)c1c(F)cccc1Cl ZINC000125370998 1038317445 /nfs/dbraw/zinc/31/74/45/1038317445.db2.gz IREHHPBLMRVFDY-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM O=S(=O)([N-]c1cccc2c1CCO2)c1ccc(C(F)(F)F)s1 ZINC000461345562 1038341500 /nfs/dbraw/zinc/34/15/00/1038341500.db2.gz RRHRCPMIINYVMJ-UHFFFAOYSA-N -1 0 349.355 3.503 20 0 EHADRM Cc1cc(/C=C/c2nc3c(cccc3C(=O)[O-])o2)ccc1-n1cncn1 ZINC000339116795 1038342128 /nfs/dbraw/zinc/34/21/28/1038342128.db2.gz BPDIHQRAIYEBEL-SOFGYWHQSA-N -1 0 346.346 3.586 20 0 EHADRM C[C@H](C(=O)N[C@H](CC(=O)[O-])C1CCCCC1)c1cccc(Cl)c1 ZINC000538504760 1038347539 /nfs/dbraw/zinc/34/75/39/1038347539.db2.gz OOHCFQVWMDBOOV-BLLLJJGKSA-N -1 0 337.847 3.983 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)C1CCCCC1 ZINC000538506221 1038347687 /nfs/dbraw/zinc/34/76/87/1038347687.db2.gz KNCIOUDGZLBLSX-BBWFWOEESA-N -1 0 349.858 3.983 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)c1 ZINC000538577934 1038399234 /nfs/dbraw/zinc/39/92/34/1038399234.db2.gz ZVVPWVZSDBJNAA-RBUKOAKNSA-N -1 0 337.419 3.770 20 0 EHADRM Cc1ccc(CN=c2[n-]nc(CCCc3ccccc3)o2)cc1F ZINC000538591657 1038422156 /nfs/dbraw/zinc/42/21/56/1038422156.db2.gz AZQMJEWITGUYKV-UHFFFAOYSA-N -1 0 325.387 3.726 20 0 EHADRM C[C@H](C(=O)N1[C@@H](C)CC[C@H]1C(=O)[O-])c1c(Cl)cccc1Cl ZINC000653313372 1038462679 /nfs/dbraw/zinc/46/26/79/1038462679.db2.gz AWXDVLLWQBRLFY-AUTRQRHGSA-N -1 0 330.211 3.561 20 0 EHADRM O=C(COc1ccc(F)cc1F)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000538830565 1038554698 /nfs/dbraw/zinc/55/46/98/1038554698.db2.gz CXQODONZPJUZHY-UHFFFAOYSA-N -1 0 348.132 3.995 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)c(O)c1 ZINC000538842274 1038568488 /nfs/dbraw/zinc/56/84/88/1038568488.db2.gz FZVSKZYAVQHGMI-UHFFFAOYSA-N -1 0 335.425 3.536 20 0 EHADRM CCCc1nc(=NCc2ccc(COCC(F)(F)F)cc2)s[n-]1 ZINC000461718586 1038578224 /nfs/dbraw/zinc/57/82/24/1038578224.db2.gz NGHJGFNUQXUSKU-UHFFFAOYSA-N -1 0 345.390 3.604 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(c2nc3cc(C(F)(F)F)ccc3s2)C1 ZINC000416403697 1038632619 /nfs/dbraw/zinc/63/26/19/1038632619.db2.gz NZWVUDJFRIBLER-ZDUSSCGKSA-N -1 0 330.331 3.616 20 0 EHADRM CCCc1nc(=NC[C@H]2CCCO[C@H]2c2ccc(C)cc2)s[n-]1 ZINC000461938591 1038686817 /nfs/dbraw/zinc/68/68/17/1038686817.db2.gz YZPFEIXTCGFZRZ-WBVHZDCISA-N -1 0 331.485 3.801 20 0 EHADRM CS[C@H](C)CCC(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000539130756 1038704492 /nfs/dbraw/zinc/70/44/92/1038704492.db2.gz NXFKOVSLLRFWQE-SECBINFHSA-N -1 0 341.889 3.751 20 0 EHADRM COc1nc(C(F)(F)F)ccc1-c1csc(CCC(=O)[O-])c1 ZINC000566494454 1038763278 /nfs/dbraw/zinc/76/32/78/1038763278.db2.gz MKRNWJXJSQJLLO-UHFFFAOYSA-N -1 0 331.315 3.855 20 0 EHADRM O=C(N=c1nc(-c2cccc(Cl)c2)[n-]s1)[C@H]1CCC(F)(F)C1 ZINC000479848696 1038804812 /nfs/dbraw/zinc/80/48/12/1038804812.db2.gz GNLFZSWYHQDPLQ-VIFPVBQESA-N -1 0 343.786 3.654 20 0 EHADRM CC[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1Cl)CC(F)(F)F ZINC000416586821 1038805847 /nfs/dbraw/zinc/80/58/47/1038805847.db2.gz CXUWMXYMQFRUQW-MRVPVSSYSA-N -1 0 347.761 3.736 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)CCc2ccc(F)cc2F)cc1 ZINC000910301436 1038815488 /nfs/dbraw/zinc/81/54/88/1038815488.db2.gz MNXDWQDMSGANMP-JKSUJKDBSA-N -1 0 345.345 3.724 20 0 EHADRM Cc1nc(N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)ccc1C(=O)[O-] ZINC000910374571 1038868636 /nfs/dbraw/zinc/86/86/36/1038868636.db2.gz HCSPEUSGLIZKPB-DOTOQJQBSA-N -1 0 344.386 3.584 20 0 EHADRM Cc1nc(C2CCN(C(=O)CCCC(C)C)CC2)sc1C(=O)[O-] ZINC000910354747 1038878192 /nfs/dbraw/zinc/87/81/92/1038878192.db2.gz OPXDFMDDWAKHIV-UHFFFAOYSA-N -1 0 338.473 3.682 20 0 EHADRM Cc1cc(Nc2ccnc(F)c2Br)ccc1C(=O)[O-] ZINC001211652601 1038926859 /nfs/dbraw/zinc/92/68/59/1038926859.db2.gz GXRIIWPJWWBOCC-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM C[C@H](CC(=O)N1CCc2cc(C(=O)[O-])ccc2C1)c1cccc(F)c1 ZINC000910499853 1038948448 /nfs/dbraw/zinc/94/84/48/1038948448.db2.gz YDRHKFJYUNSIDU-CYBMUJFWSA-N -1 0 341.382 3.602 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN(C(=O)[C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC000910501277 1038950693 /nfs/dbraw/zinc/95/06/93/1038950693.db2.gz GLEOALSEWGTTMT-SJLPKXTDSA-N -1 0 349.430 3.853 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C[C@@]12CCCC[C@@H]1C2(F)F ZINC000910503900 1038952642 /nfs/dbraw/zinc/95/26/42/1038952642.db2.gz HXDGDONOMOSDIT-GUYCJALGSA-N -1 0 345.430 3.797 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCCc1c[nH]c2ccccc12)C1CCCC1 ZINC000910567020 1038967985 /nfs/dbraw/zinc/96/79/85/1038967985.db2.gz AXEAOBUNYDQXPJ-GOSISDBHSA-N -1 0 342.439 3.640 20 0 EHADRM CC[C@@H](NC(=O)N1CC2CC1(C(=O)[O-])C2)c1cccc2ccccc21 ZINC000905592791 1038978526 /nfs/dbraw/zinc/97/85/26/1038978526.db2.gz WWOIPKBJKIQZIZ-DJMMNXNOSA-N -1 0 338.407 3.550 20 0 EHADRM O=C([O-])c1cc(Oc2ccc(NC(=O)C3CC4(CC4)C3)cc2)ccn1 ZINC000910620543 1038991173 /nfs/dbraw/zinc/99/11/73/1038991173.db2.gz OJBSVYQIUZOZGQ-UHFFFAOYSA-N -1 0 338.363 3.701 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1cc(C)cc(OC)c1C ZINC000910623896 1038991857 /nfs/dbraw/zinc/99/18/57/1038991857.db2.gz IODNZCYUDMWCKE-UHFFFAOYSA-N -1 0 343.379 3.661 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1CCc2cc(F)ccc21 ZINC000910624864 1038994641 /nfs/dbraw/zinc/99/46/41/1038994641.db2.gz WBDGDDHMYNGFFL-HNNXBMFYSA-N -1 0 343.354 3.591 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)CC2CCC(C(=O)[O-])CC2)c1C1CC1 ZINC000910648329 1039001768 /nfs/dbraw/zinc/00/17/68/1039001768.db2.gz ICAGLIAXVCEBMF-OPFPJEHXSA-N -1 0 347.459 3.951 20 0 EHADRM CCC(CC)c1n[n-]c(=NCc2ncc(C(F)(F)F)s2)s1 ZINC000432742884 1039003008 /nfs/dbraw/zinc/00/30/08/1039003008.db2.gz VVXUTDGLUFPEME-UHFFFAOYSA-N -1 0 336.408 3.951 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1C1CC1 ZINC000910649432 1039003702 /nfs/dbraw/zinc/00/37/02/1039003702.db2.gz XIMOVXHGQXWWHP-YUTCNCBUSA-N -1 0 333.432 3.561 20 0 EHADRM CC(C)(CCC(=O)[O-])C(=O)Nc1nc(Cc2ccccc2)cs1 ZINC000910647554 1039015489 /nfs/dbraw/zinc/01/54/89/1039015489.db2.gz FQWWFNLGLXXIMU-UHFFFAOYSA-N -1 0 332.425 3.563 20 0 EHADRM CCc1csc([C@H](C)NC(=O)c2ccc3[n-]c(=S)oc3c2)n1 ZINC000910727274 1039033823 /nfs/dbraw/zinc/03/38/23/1039033823.db2.gz NNIWHXIJYPDILD-QMMMGPOBSA-N -1 0 333.438 3.626 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCc2ccc(OC(F)F)cc2)cc1 ZINC000500617069 1039072456 /nfs/dbraw/zinc/07/24/56/1039072456.db2.gz LXQMCXZODPPHPB-UHFFFAOYSA-N -1 0 335.306 3.558 20 0 EHADRM Cc1ccccc1C[C@H](C)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910743076 1039072497 /nfs/dbraw/zinc/07/24/97/1039072497.db2.gz UZFKTFRAQWRBNS-NSHDSACASA-N -1 0 344.436 3.844 20 0 EHADRM C[C@@H](CC(=O)NC1CC(CC(=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC000910811782 1039088361 /nfs/dbraw/zinc/08/83/61/1039088361.db2.gz FMPQFASJSQZEOJ-IFQILLTASA-N -1 0 343.345 3.569 20 0 EHADRM Cc1cccc(C2(C(=O)NC3CC(CC(=O)[O-])C3)CCCCC2)c1 ZINC000910813050 1039089490 /nfs/dbraw/zinc/08/94/90/1039089490.db2.gz OXTJIIYLIBKDMH-UHFFFAOYSA-N -1 0 329.440 3.566 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2csc3c2CCCC3)c2ccccc21 ZINC000325451741 1039094155 /nfs/dbraw/zinc/09/41/55/1039094155.db2.gz XVSKBRGBBZKVNX-CQSZACIVSA-N -1 0 341.432 3.846 20 0 EHADRM CCc1oc(CN[C@@H](C)c2cc(Cl)cc3c2OCC3)cc1C(=O)[O-] ZINC000905769113 1039098555 /nfs/dbraw/zinc/09/85/55/1039098555.db2.gz BXJWZZCDABSENI-JTQLQIEISA-N -1 0 349.814 3.979 20 0 EHADRM CC(C)(CNC(=O)c1ccc(NCc2ccsc2)cc1)CC(=O)[O-] ZINC000910830630 1039119827 /nfs/dbraw/zinc/11/98/27/1039119827.db2.gz YELLCPWUYIFHFA-UHFFFAOYSA-N -1 0 346.452 3.591 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[C@@H]1[C@@H](C)c1ccccc1 ZINC000910935792 1039144153 /nfs/dbraw/zinc/14/41/53/1039144153.db2.gz NKPJASDEDZWCIL-BLLLJJGKSA-N -1 0 327.380 3.695 20 0 EHADRM CCSc1ccccc1C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000552279675 1039153404 /nfs/dbraw/zinc/15/34/04/1039153404.db2.gz BFPUELYEEVQQRN-UHFFFAOYSA-N -1 0 340.408 3.542 20 0 EHADRM CCCCS[C@@H](C)C(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC000910949928 1039153965 /nfs/dbraw/zinc/15/39/65/1039153965.db2.gz QOEYZRDWKPNECF-JTQLQIEISA-N -1 0 327.471 3.967 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cccc([C@H]2CCOC2)c1 ZINC000910965936 1039163367 /nfs/dbraw/zinc/16/33/67/1039163367.db2.gz QKYMKPMQDDCVFR-KRWDZBQOSA-N -1 0 339.391 3.703 20 0 EHADRM Cc1cccc([C@@H]([N-]S(=O)(=O)c2ccc(F)cc2)C(F)(F)F)c1 ZINC000512442543 1039169243 /nfs/dbraw/zinc/16/92/43/1039169243.db2.gz ZKOFSMSMWDMFIM-CQSZACIVSA-N -1 0 347.333 3.716 20 0 EHADRM CCN(C(=O)c1cnc(C(C)(C)C)s1)c1cccc(C(=O)[O-])c1 ZINC000910976811 1039176511 /nfs/dbraw/zinc/17/65/11/1039176511.db2.gz OLWAHSYXXGCMSZ-UHFFFAOYSA-N -1 0 332.425 3.806 20 0 EHADRM CC(C)CCc1ccc(S(=O)(=O)[N-]c2noc(C(C)C)n2)cc1 ZINC000554303356 1039198604 /nfs/dbraw/zinc/19/86/04/1039198604.db2.gz AGQULTOJBADNPV-UHFFFAOYSA-N -1 0 337.445 3.582 20 0 EHADRM Cc1ccc(NC(=O)Cc2ccc(OCC(C)C)cc2)cc1C(=O)[O-] ZINC000236671542 1039237304 /nfs/dbraw/zinc/23/73/04/1039237304.db2.gz VVTJLDZQJQMTFS-UHFFFAOYSA-N -1 0 341.407 3.909 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)C[C@@H]1CCOc2ccccc21)C(=O)[O-] ZINC000236690019 1039237899 /nfs/dbraw/zinc/23/78/99/1039237899.db2.gz QWGLNXIIYSUDMI-MGPUTAFESA-N -1 0 347.455 3.873 20 0 EHADRM CC(C)(C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1)c1cccc(F)c1 ZINC000236722382 1039244648 /nfs/dbraw/zinc/24/46/48/1039244648.db2.gz UMYBPKRZZUDNMU-DHZHZOJOSA-N -1 0 327.355 3.840 20 0 EHADRM Cc1cccc([C@H]([N-]S(=O)(=O)CC2CCCC2)C(F)(F)F)c1 ZINC000512460481 1039261587 /nfs/dbraw/zinc/26/15/87/1039261587.db2.gz RXONNCLQMLBWIO-AWEZNQCLSA-N -1 0 335.391 3.708 20 0 EHADRM C[C@@H]1c2ccsc2CCN1C(=O)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000324202447 1039271257 /nfs/dbraw/zinc/27/12/57/1039271257.db2.gz SXKMEUMNKLSKMP-YJYMSZOUSA-N -1 0 343.448 3.626 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)N2CCC[C@H]2C2CCCCC2)s1 ZINC000511594137 1039281660 /nfs/dbraw/zinc/28/16/60/1039281660.db2.gz BRVYPFSQQWPQEX-ZDUSSCGKSA-N -1 0 336.505 3.834 20 0 EHADRM CC1(C)C[C@H](N=c2nc(C(F)(F)F)[n-]s2)c2cc(F)ccc2O1 ZINC000651415780 1039299930 /nfs/dbraw/zinc/29/99/30/1039299930.db2.gz MUCBZBOEKZBWGW-VIFPVBQESA-N -1 0 347.337 3.832 20 0 EHADRM O=C([O-])c1cc(NC(=O)C2(C(F)(F)F)CCC2)cc2[nH]ccc21 ZINC000911388468 1039339272 /nfs/dbraw/zinc/33/92/72/1039339272.db2.gz ZTKWPBNSKVBMII-UHFFFAOYSA-N -1 0 326.274 3.537 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1OC(F)F ZINC000911370503 1039345320 /nfs/dbraw/zinc/34/53/20/1039345320.db2.gz DQMYYMMLGUAMSI-VHSXEESVSA-N -1 0 347.745 3.771 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N(CCc2ccc(F)cc2)C2CC2)CC1 ZINC000911376543 1039347175 /nfs/dbraw/zinc/34/71/75/1039347175.db2.gz JZGXFOKQKPXVNN-UHFFFAOYSA-N -1 0 347.430 3.640 20 0 EHADRM C[C@@H](CN(C)C(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1)C(=O)[O-] ZINC000237399590 1039358083 /nfs/dbraw/zinc/35/80/83/1039358083.db2.gz CEDUREUTIUMZJH-DNQSNQRASA-N -1 0 349.736 3.551 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccc(-c3ccco3)cc2F)C1 ZINC000911443010 1039366485 /nfs/dbraw/zinc/36/64/85/1039366485.db2.gz ZJQRQMJPNFVPGJ-CHWSQXEVSA-N -1 0 331.343 3.915 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)c1occc1CSc1ccccc1 ZINC000237529266 1039383209 /nfs/dbraw/zinc/38/32/09/1039383209.db2.gz BGBCXPBWQMFDPG-LBPRGKRZSA-N -1 0 333.409 3.555 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N(C)CCc1ccccc1)C(=O)[O-] ZINC000237548606 1039386523 /nfs/dbraw/zinc/38/65/23/1039386523.db2.gz OQPOOHMVMKSJQH-AWEZNQCLSA-N -1 0 343.448 3.567 20 0 EHADRM C[C@H](CN(C)C(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1)C(=O)[O-] ZINC000237567931 1039389705 /nfs/dbraw/zinc/38/97/05/1039389705.db2.gz CEDUREUTIUMZJH-OTQAPUNGSA-N -1 0 349.736 3.551 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2c(C)cnn2-c2ccccc2)cc1 ZINC000439892167 1039391432 /nfs/dbraw/zinc/39/14/32/1039391432.db2.gz RMYFTRGXWLTMFC-UHFFFAOYSA-N -1 0 341.436 3.544 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2Cc3cc(-c4ccc(C(F)(F)F)cc4CO)ccc3[C@@H]21 ZINC000906251424 1039410947 /nfs/dbraw/zinc/41/09/47/1039410947.db2.gz UJCQUOQPSWQXHT-IXDOHACOSA-N -1 0 348.320 3.835 20 0 EHADRM CC(C)(NC(=O)Nc1ccc(OCC2CCCCC2)cc1)C(=O)[O-] ZINC000584673646 1039447430 /nfs/dbraw/zinc/44/74/30/1039447430.db2.gz LVXXVPMVFXTKRW-UHFFFAOYSA-N -1 0 334.416 3.630 20 0 EHADRM CC(C)Oc1c(NC(=O)[C@@H](C)c2cccs2)cccc1C(=O)[O-] ZINC000911739576 1039481094 /nfs/dbraw/zinc/48/10/94/1039481094.db2.gz UTHNWTKFSJBYPN-NSHDSACASA-N -1 0 333.409 3.976 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)NCC(C)(C)C(F)(F)F)C(=O)[O-] ZINC000911744774 1039483134 /nfs/dbraw/zinc/48/31/34/1039483134.db2.gz YFXRFMYAGFSZSH-SECBINFHSA-N -1 0 349.374 3.570 20 0 EHADRM CC(C)Oc1c(NC(=O)CC[C@H]2CC(C)(C)CO2)cccc1C(=O)[O-] ZINC000911733432 1039491791 /nfs/dbraw/zinc/49/17/91/1039491791.db2.gz YHJYRJGUFPJUMK-ZDUSSCGKSA-N -1 0 349.427 3.706 20 0 EHADRM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cncc(O)c1 ZINC000109042391 1039605265 /nfs/dbraw/zinc/60/52/65/1039605265.db2.gz SQCJRZXNLKMECX-SECBINFHSA-N -1 0 325.195 3.927 20 0 EHADRM Cc1nc(=N[C@@H](c2cc(F)cc(Br)c2)C2CC2)s[n-]1 ZINC000480510539 1039624012 /nfs/dbraw/zinc/62/40/12/1039624012.db2.gz QNOBVRDFVRQBCU-GFCCVEGCSA-N -1 0 342.237 3.733 20 0 EHADRM C[C@@H](NC(=O)N=c1cccn[n-]1)c1ccc(Oc2ccccc2)cc1 ZINC000478694636 1039629115 /nfs/dbraw/zinc/62/91/15/1039629115.db2.gz JQLRLBCDYKCXNB-CQSZACIVSA-N -1 0 334.379 3.574 20 0 EHADRM O=C(N=c1cccn[n-]1)NC1(c2ccc(Cl)cc2)CCCCC1 ZINC000478701578 1039658251 /nfs/dbraw/zinc/65/82/51/1039658251.db2.gz OSDQCHPVAJZVFJ-UHFFFAOYSA-N -1 0 330.819 3.533 20 0 EHADRM Cc1cc(NC(=O)[C@H](C)Cc2ccccc2F)cc(C(=O)[O-])c1C ZINC000485930861 1039700460 /nfs/dbraw/zinc/70/04/60/1039700460.db2.gz HOVOHNOOTVLPTP-GFCCVEGCSA-N -1 0 329.371 3.958 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)C2(C)CCCCCC2)sc1C ZINC000408411284 1039709605 /nfs/dbraw/zinc/70/96/05/1039709605.db2.gz FONMXDBFWBJYLF-UHFFFAOYSA-N -1 0 329.487 3.530 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@H]3CCC[C@H]3C(=O)[O-])c2)cs1 ZINC000321638314 1039721056 /nfs/dbraw/zinc/72/10/56/1039721056.db2.gz JPJKIGVAZLBYOK-UONOGXRCSA-N -1 0 330.409 3.558 20 0 EHADRM CCc1nnc(NC(=O)c2csc(-c3ccc(F)cc3)n2)s1 ZINC000007921428 1039752472 /nfs/dbraw/zinc/75/24/72/1039752472.db2.gz SVKKTYHSVBIJRI-UHFFFAOYSA-N -1 0 334.401 3.615 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N2CCC(CC)(CC)CC2)s1 ZINC000485993801 1039766055 /nfs/dbraw/zinc/76/60/55/1039766055.db2.gz LMQUQPDNLBIMAX-UHFFFAOYSA-N -1 0 328.507 3.506 20 0 EHADRM CC(C)(C)n1cc(/C=C2/CCc3c2nc2ccccc2c3C(=O)[O-])nn1 ZINC000478906070 1039785327 /nfs/dbraw/zinc/78/53/27/1039785327.db2.gz KDDUSXKHURJLER-BENRWUELSA-N -1 0 348.406 3.766 20 0 EHADRM CCc1n[n-]c(=NC(=O)N(C)[C@H](c2ccc(F)cc2)C(C)C)s1 ZINC000432885372 1039786896 /nfs/dbraw/zinc/78/68/96/1039786896.db2.gz SJNSXRTZTHYEQG-AWEZNQCLSA-N -1 0 336.436 3.523 20 0 EHADRM Cc1ccc(CN=c2nc(C(F)(F)F)[n-]s2)c(OC(C)C)c1 ZINC000553112628 1039788088 /nfs/dbraw/zinc/78/80/88/1039788088.db2.gz AOGOTFWELWGSMC-UHFFFAOYSA-N -1 0 331.363 3.687 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(-c2ccccc2)cn1 ZINC000479079606 1039953148 /nfs/dbraw/zinc/95/31/48/1039953148.db2.gz MUCOURZHMMXRJK-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000164050868 1040007860 /nfs/dbraw/zinc/00/78/60/1040007860.db2.gz OCGNFBJCQSWIOI-HNNXBMFYSA-N -1 0 330.815 3.762 20 0 EHADRM CC(C)c1cnc(CN[C@@H](Cc2cccc(Cl)c2)C(=O)[O-])s1 ZINC000417564215 1040014532 /nfs/dbraw/zinc/01/45/32/1040014532.db2.gz OGPFPXBTEKRRKA-ZDUSSCGKSA-N -1 0 338.860 3.705 20 0 EHADRM Cc1cc([C@@H](NCc2csc(C3CC3)n2)C(=O)[O-])ccc1Cl ZINC000417567890 1040016198 /nfs/dbraw/zinc/01/61/98/1040016198.db2.gz JUSODOUABKMGOC-CQSZACIVSA-N -1 0 336.844 3.898 20 0 EHADRM COc1cccc(OC)c1CNc1ccc(CCCC(=O)[O-])cc1 ZINC000417579528 1040024351 /nfs/dbraw/zinc/02/43/51/1040024351.db2.gz AVCUQZTZPLQALV-UHFFFAOYSA-N -1 0 329.396 3.723 20 0 EHADRM COc1ccc([C@H](CCC(=O)[O-])[NH2+]Cc2cc(OC)ccc2F)cc1 ZINC000417583524 1040033185 /nfs/dbraw/zinc/03/31/85/1040033185.db2.gz WQWZLCGVJRJBHG-SFHVURJKSA-N -1 0 347.386 3.539 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])NCc2ncc(C(C)C)s2)c1 ZINC000417593433 1040046301 /nfs/dbraw/zinc/04/63/01/1040046301.db2.gz ZVCIHMIKNHWUPS-CQSZACIVSA-N -1 0 334.441 3.581 20 0 EHADRM COc1ccc(F)c(CNc2cccc(C(=O)[O-])c2OC(C)C)c1 ZINC000417595910 1040049136 /nfs/dbraw/zinc/04/91/36/1040049136.db2.gz YMBSWCZHMOZMPR-UHFFFAOYSA-N -1 0 333.359 3.932 20 0 EHADRM Cc1cccc(Oc2cc(CN=c3[n-]nc(C4CC4)o3)ccn2)c1C ZINC000553430147 1040056734 /nfs/dbraw/zinc/05/67/34/1040056734.db2.gz JTRWTEIJQDIMCH-UHFFFAOYSA-N -1 0 336.395 3.785 20 0 EHADRM COc1ccc(CNc2ccc(C[C@@H](C)C(=O)[O-])cc2)c(OC)c1 ZINC000417605111 1040057883 /nfs/dbraw/zinc/05/78/83/1040057883.db2.gz AEYUUTBHYVVJCJ-CYBMUJFWSA-N -1 0 329.396 3.579 20 0 EHADRM CC[C@@H](Cc1ccc(NCc2c[nH]nc2C(C)(C)C)cc1)C(=O)[O-] ZINC000417610882 1040061920 /nfs/dbraw/zinc/06/19/20/1040061920.db2.gz ODDFVULLNXKTNV-AWEZNQCLSA-N -1 0 329.444 3.973 20 0 EHADRM CC(C)OC(=O)C[C@@H](N=c1nc(C(C)(C)C)[n-]s1)c1ccccc1 ZINC000489581751 1040080638 /nfs/dbraw/zinc/08/06/38/1040080638.db2.gz GFGNQQZGFUIYOL-CQSZACIVSA-N -1 0 347.484 3.752 20 0 EHADRM CC[C@@H](Cc1ccc(NCc2cn(C)nc2C(C)(C)C)cc1)C(=O)[O-] ZINC000417612704 1040080953 /nfs/dbraw/zinc/08/09/53/1040080953.db2.gz ROOTWCXVQCCATA-HNNXBMFYSA-N -1 0 343.471 3.983 20 0 EHADRM COc1cc(CNc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc(OC)c1 ZINC000417613968 1040082917 /nfs/dbraw/zinc/08/29/17/1040082917.db2.gz UTTORJCRZULCMA-CYBMUJFWSA-N -1 0 329.396 3.579 20 0 EHADRM COc1cccc(OC)c1CNc1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000417613980 1040084146 /nfs/dbraw/zinc/08/41/46/1040084146.db2.gz UVKKEMFDLZGECF-CYBMUJFWSA-N -1 0 329.396 3.894 20 0 EHADRM COCCOc1cccc(CNc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC000417615886 1040086574 /nfs/dbraw/zinc/08/65/74/1040086574.db2.gz YDNVDWADRDEGAQ-OAHLLOKOSA-N -1 0 343.423 3.587 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)C(C)(C)CC(C)(C)C)sc1C(=O)[O-] ZINC000907626732 1040108254 /nfs/dbraw/zinc/10/82/54/1040108254.db2.gz DPHHGXHATSDHKA-SNVBAGLBSA-N -1 0 326.462 3.789 20 0 EHADRM C[C@H](Sc1ccc(NCc2cnn(C(C)(C)C)c2)cc1)C(=O)[O-] ZINC000417663007 1040127244 /nfs/dbraw/zinc/12/72/44/1040127244.db2.gz VSPYXZZSFAXWIB-LBPRGKRZSA-N -1 0 333.457 3.815 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)c1cc(-n2cccc2)ccc1Cl ZINC000907710081 1040138691 /nfs/dbraw/zinc/13/86/91/1040138691.db2.gz IUWBXIODPWHKDE-QAPCUYQASA-N -1 0 346.814 3.504 20 0 EHADRM C[C@@H](Sc1ccc(NCc2c[nH]nc2C(C)(C)C)cc1)C(=O)[O-] ZINC000417657646 1040138954 /nfs/dbraw/zinc/13/89/54/1040138954.db2.gz MJOHQWGHRWYDDE-LLVKDONJSA-N -1 0 333.457 3.885 20 0 EHADRM COc1ccc2cccc(CC(=O)Nc3cc(C(C)=O)ccc3[O-])c2c1 ZINC000512565765 1040150672 /nfs/dbraw/zinc/15/06/72/1040150672.db2.gz QJXBVRIVNXHXEA-UHFFFAOYSA-N -1 0 349.386 3.938 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc(C3CC3)oc2C2CC2)[C@H]2CCC[C@H]21 ZINC000907736962 1040151608 /nfs/dbraw/zinc/15/16/08/1040151608.db2.gz VRILMYMRPNUNAE-LZWOXQAQSA-N -1 0 343.423 3.750 20 0 EHADRM CCCc1ccc(C(=O)N[C@H](C)c2nc(C)c(C(=O)[O-])s2)cc1 ZINC000236915423 1040155411 /nfs/dbraw/zinc/15/54/11/1040155411.db2.gz LLESMRYHTBCXBW-LLVKDONJSA-N -1 0 332.425 3.593 20 0 EHADRM CC(C)(C)CC(C)(C)C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)CC1 ZINC000907784896 1040169764 /nfs/dbraw/zinc/16/97/64/1040169764.db2.gz ARUAMNJQJDXPJH-UHFFFAOYSA-N -1 0 337.382 3.705 20 0 EHADRM CC[C@H](c1n[n-]c(=NCc2cncc(F)c2)s1)c1ccccc1 ZINC000489758732 1040189877 /nfs/dbraw/zinc/18/98/77/1040189877.db2.gz HTUUMOAKOVEJAS-HNNXBMFYSA-N -1 0 328.416 3.648 20 0 EHADRM Cc1cc(N2CCCCCC2)ccc1NC(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000417770688 1040227732 /nfs/dbraw/zinc/22/77/32/1040227732.db2.gz FUAIXTSPIHUZPW-OAHLLOKOSA-N -1 0 347.459 3.560 20 0 EHADRM Cc1nc(NC(=O)NCCCCCC(=O)[O-])ccc1-c1ccccc1 ZINC000417773423 1040227968 /nfs/dbraw/zinc/22/79/68/1040227968.db2.gz JEVVWMRCDNTFLE-UHFFFAOYSA-N -1 0 341.411 3.824 20 0 EHADRM CCN(CC1CCC1)C(=O)c1c[nH]c(=NC(=O)OC(C)(C)C)s1 ZINC000907912690 1040230321 /nfs/dbraw/zinc/23/03/21/1040230321.db2.gz NFCPGQKCRVDLHF-UHFFFAOYSA-N -1 0 339.461 3.752 20 0 EHADRM C[C@H](CN(C)C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1)C(=O)[O-] ZINC000417804099 1040238930 /nfs/dbraw/zinc/23/89/30/1040238930.db2.gz YSXKLRDTPFXVBX-SNVBAGLBSA-N -1 0 346.349 3.711 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N[C@@H]3C[C@@H]4C[C@H](C(=O)[O-])C[C@H]34)s2)o1 ZINC000907942987 1040240237 /nfs/dbraw/zinc/24/02/37/1040240237.db2.gz XLRBUWYLAXIJPW-ZDEQEGDKSA-N -1 0 345.420 3.546 20 0 EHADRM CC[C@H](CC(=O)NC[C@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC000236931863 1040245010 /nfs/dbraw/zinc/24/50/10/1040245010.db2.gz OTZGIEHYIYLNFS-MJGOQNOKSA-N -1 0 339.435 3.630 20 0 EHADRM O=S(=O)([N-]c1nc2cc(F)ccc2[nH]1)c1ccc2ccccc2c1 ZINC000486571655 1040257276 /nfs/dbraw/zinc/25/72/76/1040257276.db2.gz NEASGFWKCLKFAM-UHFFFAOYSA-N -1 0 341.367 3.656 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)CCc1ccc(-c2ccccc2)[nH]1 ZINC000908025438 1040269407 /nfs/dbraw/zinc/26/94/07/1040269407.db2.gz WRORVWIIXDPZPI-QGZVFWFLSA-N -1 0 342.439 3.620 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000899311885 1040310917 /nfs/dbraw/zinc/31/09/17/1040310917.db2.gz RRAOHBHXXLGCJD-AWEZNQCLSA-N -1 0 334.416 3.725 20 0 EHADRM COc1cc(C)c(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])c(C)c1C ZINC000899313611 1040315275 /nfs/dbraw/zinc/31/52/75/1040315275.db2.gz OAHVKFNTVMLUSW-HNNXBMFYSA-N -1 0 348.443 3.872 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)[C@H]2SCCc3ccccc32)CCC1 ZINC000908343098 1040402848 /nfs/dbraw/zinc/40/28/48/1040402848.db2.gz WDILBKLCDOOSEX-INIZCTEOSA-N -1 0 347.480 3.558 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)Cc2coc3cc(F)ccc23)CCC1 ZINC000908327177 1040410773 /nfs/dbraw/zinc/41/07/73/1040410773.db2.gz AZNZGRYXLLJXPT-UHFFFAOYSA-N -1 0 347.386 3.656 20 0 EHADRM CCCC(CCC)C(=O)Nc1ccc(-n2[n-]c(C3CC3)cc2=O)nc1 ZINC000912866069 1040421041 /nfs/dbraw/zinc/42/10/41/1040421041.db2.gz WFGALTJAKGOEQX-UHFFFAOYSA-N -1 0 342.443 3.739 20 0 EHADRM Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(C(F)(F)F)cc2)o1 ZINC000908411211 1040438426 /nfs/dbraw/zinc/43/84/26/1040438426.db2.gz ZYHBQFVLQVSOIS-GFCCVEGCSA-N -1 0 341.285 3.553 20 0 EHADRM C/C=C(\CC)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000908420334 1040461041 /nfs/dbraw/zinc/46/10/41/1040461041.db2.gz UIHOSOFWCYRDAT-DQPCJIFYSA-N -1 0 329.318 3.694 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)Nc1cccc(COC(C)(C)C)c1 ZINC000908635497 1040540969 /nfs/dbraw/zinc/54/09/69/1040540969.db2.gz MHCKVHPFNPZCAC-UHFFFAOYSA-N -1 0 336.432 3.576 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CC[C@H]1CCc2ccccc21)c1cccs1 ZINC000908639680 1040544664 /nfs/dbraw/zinc/54/46/64/1040544664.db2.gz XOWVVCSAVVJNHQ-ZBFHGGJFSA-N -1 0 343.448 3.890 20 0 EHADRM CC(C)c1csc(NC(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)n1 ZINC000908646872 1040552395 /nfs/dbraw/zinc/55/23/95/1040552395.db2.gz RIWIYBYVGODDDM-CYBMUJFWSA-N -1 0 333.413 3.556 20 0 EHADRM C[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)Nc1cccc(C2CC2)n1 ZINC000908682836 1040572693 /nfs/dbraw/zinc/57/26/93/1040572693.db2.gz HMLQLAXFZKPQFS-CYBMUJFWSA-N -1 0 339.395 3.639 20 0 EHADRM COc1ccc2ccccc2c1CN=c1[n-]nc(Cc2ccccc2)o1 ZINC000479754716 1040573811 /nfs/dbraw/zinc/57/38/11/1040573811.db2.gz NFWRLCFTFCGVHA-UHFFFAOYSA-N -1 0 345.402 3.856 20 0 EHADRM Cc1nc(NC(=O)N2CCC[C@@]2(C)C(=O)[O-])ccc1-c1ccccc1 ZINC000908674492 1040582899 /nfs/dbraw/zinc/58/28/99/1040582899.db2.gz GXVVIAJISPPZIZ-IBGZPJMESA-N -1 0 339.395 3.528 20 0 EHADRM CN(Cc1cccc(Cl)c1)C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000908700365 1040597189 /nfs/dbraw/zinc/59/71/89/1040597189.db2.gz UAWLDONVKUTEOS-UHFFFAOYSA-N -1 0 335.831 3.724 20 0 EHADRM Cc1ccc(SCCNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1 ZINC000908738992 1040619303 /nfs/dbraw/zinc/61/93/03/1040619303.db2.gz NJLKONBBTDPKFI-UHFFFAOYSA-N -1 0 347.480 3.629 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)NC(=O)c1ccccc1CCC(=O)[O-] ZINC000908739299 1040622940 /nfs/dbraw/zinc/62/29/40/1040622940.db2.gz WUKMLQSOMQGOGM-ZDUSSCGKSA-N -1 0 345.826 3.718 20 0 EHADRM C[C@H](NC(=O)c1ccccc1CCC(=O)[O-])C(C)(C)c1ccccc1 ZINC000908775502 1040629940 /nfs/dbraw/zinc/62/99/40/1040629940.db2.gz ZTSYQXJXXULBNE-HNNXBMFYSA-N -1 0 339.435 3.800 20 0 EHADRM CCC[C@H]1[C@H](C)CCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000500159444 1040640659 /nfs/dbraw/zinc/64/06/59/1040640659.db2.gz UXRLOUFITDMDCR-CJNGLKHVSA-N -1 0 345.418 3.758 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000908782967 1040646885 /nfs/dbraw/zinc/64/68/85/1040646885.db2.gz KULJXTKIPFVBGJ-QGZVFWFLSA-N -1 0 347.798 3.831 20 0 EHADRM Cc1ccc([C@H]2CCCCN2C(=O)c2ccoc2CC(=O)[O-])cc1 ZINC000908801107 1040658252 /nfs/dbraw/zinc/65/82/52/1040658252.db2.gz ZXSKZLUBZHQHHM-MRXNPFEDSA-N -1 0 327.380 3.583 20 0 EHADRM O=C(N[C@H]1CCCC12CCOCC2)c1cc(Cl)cc(Cl)c1[O-] ZINC001625920875 1040673037 /nfs/dbraw/zinc/67/30/37/1040673037.db2.gz VCECAXJUOLLONQ-ZDUSSCGKSA-N -1 0 344.238 3.778 20 0 EHADRM CC(=O)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)cc1C ZINC000908936499 1040714277 /nfs/dbraw/zinc/71/42/77/1040714277.db2.gz MYZVHEYPRZTIHH-SFHVURJKSA-N -1 0 339.391 3.534 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cc(Cl)sc1Cl ZINC000225902289 1040782712 /nfs/dbraw/zinc/78/27/12/1040782712.db2.gz XONVQNDELHWMIF-QMMMGPOBSA-N -1 0 336.240 3.914 20 0 EHADRM Cc1nc(CC(C)C)oc1C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000909097261 1040801219 /nfs/dbraw/zinc/80/12/19/1040801219.db2.gz PHHSMLSYGNWWBG-TWGQIWQCSA-N -1 0 328.368 3.532 20 0 EHADRM CCCCOc1ccc(C(=O)N[C@@H](CC(=O)[O-])C2CC2)c(Cl)c1 ZINC000909075653 1040806340 /nfs/dbraw/zinc/80/63/40/1040806340.db2.gz NWTHSAHHAJRFGZ-HNNXBMFYSA-N -1 0 339.819 3.502 20 0 EHADRM O=C(C=C1CCSCC1)NCc1c2ccccc2sc1C(=O)[O-] ZINC000909218350 1040875381 /nfs/dbraw/zinc/87/53/81/1040875381.db2.gz TZDIWGHDFJOBQK-UHFFFAOYSA-N -1 0 347.461 3.669 20 0 EHADRM Cc1sc(CC(=O)Nc2ccc(C(=O)[O-])c(F)c2)nc1C(C)C ZINC000909295955 1040913603 /nfs/dbraw/zinc/91/36/03/1040913603.db2.gz KWIOZTWZXHDYQY-UHFFFAOYSA-N -1 0 336.388 3.593 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)C[C@@H](C)c1c[nH]c2ccccc21 ZINC000909683079 1040930075 /nfs/dbraw/zinc/93/00/75/1040930075.db2.gz KTGFXVCWLXNXKR-YJYMSZOUSA-N -1 0 330.428 3.667 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCC[C@H]2c2ccccc2)C1 ZINC000909701484 1040942577 /nfs/dbraw/zinc/94/25/77/1040942577.db2.gz SYQJIROHWPZZMF-ZWOKBUDYSA-N -1 0 329.440 3.530 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)NCc1ccc(Cl)cc1Cl)C1CC1 ZINC000570904514 1040974392 /nfs/dbraw/zinc/97/43/92/1040974392.db2.gz GZVUXIHGFHIIQU-ZDUSSCGKSA-N -1 0 345.226 3.531 20 0 EHADRM Cc1ccc(CCCC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000237021391 1041004722 /nfs/dbraw/zinc/00/47/22/1041004722.db2.gz DFJPTANFEQXTOM-UHFFFAOYSA-N -1 0 325.408 3.675 20 0 EHADRM CC[C@@H]1[C@@H](C)CCN1C(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000481515691 1041012556 /nfs/dbraw/zinc/01/25/56/1041012556.db2.gz BSHXCHBLWVXCCQ-GXSJLCMTSA-N -1 0 336.486 3.649 20 0 EHADRM CC[C@@H]1[C@H](C)CCN1C(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000481515693 1041013315 /nfs/dbraw/zinc/01/33/15/1041013315.db2.gz BSHXCHBLWVXCCQ-MWLCHTKSSA-N -1 0 336.486 3.649 20 0 EHADRM Cc1cccc(C)c1NCC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000909836296 1041033795 /nfs/dbraw/zinc/03/37/95/1041033795.db2.gz ODKVEHNOZZTAPT-AWEZNQCLSA-N -1 0 326.396 3.542 20 0 EHADRM Cc1cccc(C)c1NCC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000909836297 1041034766 /nfs/dbraw/zinc/03/47/66/1041034766.db2.gz ODKVEHNOZZTAPT-CQSZACIVSA-N -1 0 326.396 3.542 20 0 EHADRM CC[C@@](O)(CC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC000909836763 1041034796 /nfs/dbraw/zinc/03/47/96/1041034796.db2.gz RKARTWOPPWTVQI-VBKZILBWSA-N -1 0 341.407 3.501 20 0 EHADRM Cc1cc(F)ccc1C[C@H](C)NC(=O)c1ccccc1CCC(=O)[O-] ZINC000909942996 1041073795 /nfs/dbraw/zinc/07/37/95/1041073795.db2.gz FUECXGLLVBMHON-AWEZNQCLSA-N -1 0 343.398 3.512 20 0 EHADRM O=S(=O)([N-]c1cccc(F)c1)c1cc(Br)ccc1F ZINC000500323609 1041077756 /nfs/dbraw/zinc/07/77/56/1041077756.db2.gz MKVKLDCSENRJCX-UHFFFAOYSA-N -1 0 348.168 3.528 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-] ZINC000899762078 1041087974 /nfs/dbraw/zinc/08/79/74/1041087974.db2.gz NIUPTKCTQAUBLF-MEGQDDJESA-N -1 0 327.424 3.836 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000899763611 1041091026 /nfs/dbraw/zinc/09/10/26/1041091026.db2.gz FQGSKTBHUJBSKI-AAEUAGOBSA-N -1 0 343.370 3.602 20 0 EHADRM CCOc1cccc(NC(=O)C[C@@H](C(=O)[O-])c2ccc(C)cc2)c1 ZINC000899767832 1041098231 /nfs/dbraw/zinc/09/82/31/1041098231.db2.gz ZPJGZMCYNTVTBX-QGZVFWFLSA-N -1 0 327.380 3.591 20 0 EHADRM C[C@H](NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-])c1cc2ccccc2o1 ZINC000899778497 1041103401 /nfs/dbraw/zinc/10/34/01/1041103401.db2.gz IGESKVCBRMCOHR-UJOOUMPKSA-N -1 0 339.391 3.523 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1cc(F)ccc1Br ZINC000899774628 1041112852 /nfs/dbraw/zinc/11/28/52/1041112852.db2.gz SINAFRHOTJTYEG-SECBINFHSA-N -1 0 346.196 3.664 20 0 EHADRM Cc1ccc([C@H](CC(=O)NCC(C)(C)CC(F)(F)F)C(=O)[O-])cc1 ZINC000899791900 1041117894 /nfs/dbraw/zinc/11/78/94/1041117894.db2.gz JPWHFMFPQCFRAL-ZDUSSCGKSA-N -1 0 345.361 3.648 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccccc1OCCc1ccccc1 ZINC000570942885 1041123448 /nfs/dbraw/zinc/12/34/48/1041123448.db2.gz WQZFLAOBWXRPRL-OAHLLOKOSA-N -1 0 341.407 3.748 20 0 EHADRM CSc1cc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C(=O)[O-])ccc1C ZINC000899789237 1041126826 /nfs/dbraw/zinc/12/68/26/1041126826.db2.gz QNKFCYRFTHPVIV-XHUUTOEUSA-N -1 0 331.437 3.568 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N(C)Cc2ccccc2C)C(=O)[O-])cc1 ZINC000899797229 1041131918 /nfs/dbraw/zinc/13/19/18/1041131918.db2.gz ZZEJEXIUFSRASY-GOSISDBHSA-N -1 0 325.408 3.520 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C(=O)[O-])c1 ZINC000899798311 1041134798 /nfs/dbraw/zinc/13/47/98/1041134798.db2.gz ILCDFRPQFDRTSL-XNXCGYLDSA-N -1 0 339.435 3.572 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000899801847 1041141185 /nfs/dbraw/zinc/14/11/85/1041141185.db2.gz UJDZJMKCPVYTHA-ZDUSSCGKSA-N -1 0 332.425 3.886 20 0 EHADRM Cc1ccc([C@H](CC(=O)N(C)[C@@H]2CCc3ccccc32)C(=O)[O-])cc1 ZINC000899796971 1041149670 /nfs/dbraw/zinc/14/96/70/1041149670.db2.gz UVPVNNFJLUOWOR-RBUKOAKNSA-N -1 0 337.419 3.699 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000899812624 1041159634 /nfs/dbraw/zinc/15/96/34/1041159634.db2.gz BWEDRPSGFJCTFB-HOCLYGCPSA-N -1 0 345.439 3.686 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@@H]3C[C@]3(C(=O)[O-])C(C)C)c2)oc1C ZINC000899804317 1041162176 /nfs/dbraw/zinc/16/21/76/1041162176.db2.gz ZDVCPPVLGVAMOU-KXBFYZLASA-N -1 0 342.395 3.644 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000614318951 1041165537 /nfs/dbraw/zinc/16/55/37/1041165537.db2.gz QPCGKTCNOXLNNK-BMFZPTHFSA-N -1 0 337.847 3.591 20 0 EHADRM Cc1cc(-c2ccc3c(c2)CC[C@@H]3C(=O)[O-])ccc1O[C@@H]1CCOC1 ZINC000571060162 1041173266 /nfs/dbraw/zinc/17/32/66/1041173266.db2.gz APSSVCNMGTZUNS-MJGOQNOKSA-N -1 0 338.403 3.944 20 0 EHADRM O=C([O-])c1ccc(OCc2ccccc2)c(NC(=O)[C@H]2CC23CC3)c1 ZINC000910086869 1041183776 /nfs/dbraw/zinc/18/37/76/1041183776.db2.gz DBYJQJCDWRROOA-OAHLLOKOSA-N -1 0 337.375 3.702 20 0 EHADRM CC[C@@H]1CCCC[C@H]1C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])cs1 ZINC000910101001 1041190840 /nfs/dbraw/zinc/19/08/40/1041190840.db2.gz GDJCGLXLGJTXIG-YRGRVCCFSA-N -1 0 336.457 3.721 20 0 EHADRM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CC1(C(=O)[O-])CCCC1 ZINC000392110723 1041196063 /nfs/dbraw/zinc/19/60/63/1041196063.db2.gz AVIVKSVOMKXKEG-UHFFFAOYSA-N -1 0 343.345 3.699 20 0 EHADRM CCC[C@]1(C(=O)[O-])CCCN1C(=O)c1[nH]c(C)c(C(C)=O)c1C(C)C ZINC000910115825 1041197334 /nfs/dbraw/zinc/19/73/34/1041197334.db2.gz VVHITDVXGKYXBO-LJQANCHMSA-N -1 0 348.443 3.509 20 0 EHADRM CC[C@@H](C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])cs1)c1ccccc1 ZINC000910113711 1041197518 /nfs/dbraw/zinc/19/75/18/1041197518.db2.gz OYQSAKFGQJSVGQ-HIFRSBDPSA-N -1 0 344.436 3.699 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000899841523 1041203963 /nfs/dbraw/zinc/20/39/63/1041203963.db2.gz CDUWKGDEFWZKMZ-JKSUJKDBSA-N -1 0 331.412 3.607 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2ccccc2Oc2ccccn2)CCC1 ZINC000899843688 1041205350 /nfs/dbraw/zinc/20/53/50/1041205350.db2.gz VWNWBKSBSZHQJD-UHFFFAOYSA-N -1 0 340.379 3.848 20 0 EHADRM CN(Cc1cc(Cl)ccc1F)C(=O)c1c(F)ccc(O)c1F ZINC000571365347 1041295601 /nfs/dbraw/zinc/29/56/01/1041295601.db2.gz LUUMASTZANRHRA-UHFFFAOYSA-N -1 0 329.705 3.735 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@H](C)c2ccc(C(F)(F)F)cc2)s[n-]1 ZINC000509729065 1041324042 /nfs/dbraw/zinc/32/40/42/1041324042.db2.gz OLOKXQAOTWFWGS-BDAKNGLRSA-N -1 0 331.363 3.859 20 0 EHADRM CC(C)(c1ccc([N-]S(=O)(=O)c2ccco2)cc1)C(F)(F)F ZINC000432057072 1041491198 /nfs/dbraw/zinc/49/11/98/1041491198.db2.gz JEBJMJGSGCTXAN-UHFFFAOYSA-N -1 0 333.331 3.920 20 0 EHADRM CC(C)(C(=O)NCCCCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000236704533 1041509630 /nfs/dbraw/zinc/50/96/30/1041509630.db2.gz AINYAYAQRJFWFZ-UHFFFAOYSA-N -1 0 325.836 3.769 20 0 EHADRM Cc1ccc(S[C@H](C)C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC000013225887 1041766695 /nfs/dbraw/zinc/76/66/95/1041766695.db2.gz KPAJMOLIZYWODI-OHFALNGGSA-N -1 0 347.480 3.720 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)N=c1[n-]nc(-c2ccccc2)s1 ZINC000467243036 1041814620 /nfs/dbraw/zinc/81/46/20/1041814620.db2.gz QLPHMRVWKDSGIY-VHDGCEQUSA-N -1 0 342.468 3.812 20 0 EHADRM CC(C)[C@@H](Nc1nc(C(F)F)nc2ccc(Cl)cc21)C(=O)[O-] ZINC000662877653 1042177362 /nfs/dbraw/zinc/17/73/62/1042177362.db2.gz DWFKRGFMMMWTIG-SNVBAGLBSA-N -1 0 329.734 3.742 20 0 EHADRM O=C(c1c(O)cnc2ccc(Cl)cc21)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000628649892 1042316930 /nfs/dbraw/zinc/31/69/30/1042316930.db2.gz PNIYMQYSQNPRTO-NEPJUHHUSA-N -1 0 348.855 3.704 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2cccc(Cl)c2C)n1 ZINC000659182545 1042332706 /nfs/dbraw/zinc/33/27/06/1042332706.db2.gz KZVLOFAEWGTGBY-ZDUSSCGKSA-N -1 0 335.791 3.523 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c2)cs1 ZINC000663030900 1042363313 /nfs/dbraw/zinc/36/33/13/1042363313.db2.gz OMKMRRQPNSOJBA-AWEZNQCLSA-N -1 0 332.425 3.804 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000653328043 1042387971 /nfs/dbraw/zinc/38/79/71/1042387971.db2.gz CPIIPUYMIMZNHK-KYNGSXCRSA-N -1 0 337.419 3.603 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)CCc2ccccc2Cl)n1 ZINC000659186938 1042489857 /nfs/dbraw/zinc/48/98/57/1042489857.db2.gz CJOYQUFRPWXCDN-CQSZACIVSA-N -1 0 349.818 3.534 20 0 EHADRM CCCCc1nc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)cs1 ZINC000652470676 1042491149 /nfs/dbraw/zinc/49/11/49/1042491149.db2.gz FVQPAGMBQJBTRY-INIZCTEOSA-N -1 0 330.453 3.670 20 0 EHADRM CC(C)[C@@H](C(=O)NC[C@H](C(=O)[O-])C1CCC1)c1cccc(Cl)c1 ZINC000663147782 1042492666 /nfs/dbraw/zinc/49/26/66/1042492666.db2.gz OJBOMDNJQRGQCB-JKSUJKDBSA-N -1 0 337.847 3.697 20 0 EHADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccc(C(C)C)cc1 ZINC000320481388 1042549216 /nfs/dbraw/zinc/54/92/16/1042549216.db2.gz SLUWOFVYEZVSTO-UHFFFAOYSA-N -1 0 333.409 3.617 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(F)c([O-])c(Cl)c2)[C@H](c2ccccc2)CO1 ZINC000184464497 1042552577 /nfs/dbraw/zinc/55/25/77/1042552577.db2.gz HGYMBCJLZXOWSR-BZNIZROVSA-N -1 0 349.789 3.787 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CC3(F)F)cc2)s1 ZINC000663261523 1042608246 /nfs/dbraw/zinc/60/82/46/1042608246.db2.gz LZVUMEAMFKPVKG-GFCCVEGCSA-N -1 0 345.392 3.644 20 0 EHADRM CCN(CC(=O)Nc1c(C(C)C)cccc1C(C)C)[C@@H](C)C(=O)[O-] ZINC000662218279 1042612775 /nfs/dbraw/zinc/61/27/75/1042612775.db2.gz WIPIMYZBWGRMOW-AWEZNQCLSA-N -1 0 334.460 3.667 20 0 EHADRM COC(=O)c1cc(C(=O)Nc2nc(C3CCCCCC3)cs2)on1 ZINC000601700815 1042625835 /nfs/dbraw/zinc/62/58/35/1042625835.db2.gz HKRSBGMVRGOBTI-UHFFFAOYSA-N -1 0 349.412 3.608 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCO[C@H](CCc2ccccc2)C1 ZINC000185565220 1042635806 /nfs/dbraw/zinc/63/58/06/1042635806.db2.gz UCKADXGCALQUMQ-MRXNPFEDSA-N -1 0 345.826 3.519 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCc3sccc32)c2ccccc21 ZINC000653328846 1042646140 /nfs/dbraw/zinc/64/61/40/1042646140.db2.gz NXMPRAWEFOJTLA-BZUAXINKSA-N -1 0 341.432 3.597 20 0 EHADRM C[C@@H](CNC(=O)c1c([O-])cc(Cl)cc1Cl)c1nccs1 ZINC000186010564 1042647555 /nfs/dbraw/zinc/64/75/55/1042647555.db2.gz KFVTUQFBIQYCCN-ZETCQYMHSA-N -1 0 331.224 3.689 20 0 EHADRM CCCOc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1C(C)C ZINC000663300337 1042648653 /nfs/dbraw/zinc/64/86/53/1042648653.db2.gz VEBSMQYPIXZSHZ-UHFFFAOYSA-N -1 0 338.429 3.696 20 0 EHADRM Cc1ccc(SC[C@H](C)NC(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000186704654 1042685961 /nfs/dbraw/zinc/68/59/61/1042685961.db2.gz DARZVSDOCJYZGT-NSHDSACASA-N -1 0 337.391 3.889 20 0 EHADRM O=C(Nc1nc(-c2ccc(O)cc2)cs1)c1cc(F)c([O-])c(F)c1 ZINC000186870932 1042716878 /nfs/dbraw/zinc/71/68/78/1042716878.db2.gz HKWBOFYHVPURIY-UHFFFAOYSA-N -1 0 348.330 3.752 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)Nc1ccc(OC2CCCC2)cc1)C1CCC1 ZINC000663342125 1042725812 /nfs/dbraw/zinc/72/58/12/1042725812.db2.gz XPIJJACOWUKRQH-KRWDZBQOSA-N -1 0 346.427 3.630 20 0 EHADRM CCCn1ccc2cc(NC(=O)NC[C@@H](C(=O)[O-])C3CCC3)ccc21 ZINC000663346155 1042730781 /nfs/dbraw/zinc/73/07/81/1042730781.db2.gz RZVLZOWAKOHWMY-MRXNPFEDSA-N -1 0 343.427 3.674 20 0 EHADRM O=C([O-])[C@H](CNC(=O)Nc1cccc(C(F)F)c1Cl)C1CCC1 ZINC000663352714 1042745651 /nfs/dbraw/zinc/74/56/51/1042745651.db2.gz XGSMZZYVNRSFCP-SNVBAGLBSA-N -1 0 346.761 3.900 20 0 EHADRM Fc1ccc(C2(CN=c3[n-]nc(C(F)F)o3)CCCCC2)cc1 ZINC000432317464 1042824376 /nfs/dbraw/zinc/82/43/76/1042824376.db2.gz IVKCNMMNIVSEMT-UHFFFAOYSA-N -1 0 325.334 3.882 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1cccc(SC(F)F)c1 ZINC000066966069 1042894934 /nfs/dbraw/zinc/89/49/34/1042894934.db2.gz ZDHCPKFLYYMXDF-NEPJUHHUSA-N -1 0 327.352 3.607 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000321530634 1042928430 /nfs/dbraw/zinc/92/84/30/1042928430.db2.gz DVAQPHGTLGOMOC-RYUDHWBXSA-N -1 0 327.302 3.619 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC2(c3ccc(F)cc3F)CCC2)c(F)c1 ZINC000432115743 1043012915 /nfs/dbraw/zinc/01/29/15/1043012915.db2.gz YHMILQDNWATOAH-UHFFFAOYSA-N -1 0 349.308 3.611 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)C2(Cc3ccccc3)CCC2)c2ccccc21 ZINC000653334137 1043126325 /nfs/dbraw/zinc/12/63/25/1043126325.db2.gz XYHHHPQVDGGLQY-RTBURBONSA-N -1 0 349.430 3.829 20 0 EHADRM CC(C)CC1(C)CCN(C(=O)N=c2[n-]nc(C(F)F)s2)CC1 ZINC000344296288 1043612911 /nfs/dbraw/zinc/61/29/11/1043612911.db2.gz BDJJJXDMSITOSZ-UHFFFAOYSA-N -1 0 332.420 3.578 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1C ZINC000337872625 1044508584 /nfs/dbraw/zinc/50/85/84/1044508584.db2.gz SAOPBFPPDKGCET-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM CN(C[C@@H]1CCc2ccccc21)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000620687214 1125645275 /nfs/dbraw/zinc/64/52/75/1125645275.db2.gz NMGOSEBFLZCSCW-LBPRGKRZSA-N -1 0 333.790 3.987 20 0 EHADRM Cc1ccc(-c2nnco2)cc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000154459799 1125719698 /nfs/dbraw/zinc/71/96/98/1125719698.db2.gz JDHKOYSBWREWLK-UHFFFAOYSA-N -1 0 329.743 3.656 20 0 EHADRM CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1ccc(O)cc1F ZINC000154985395 1125772848 /nfs/dbraw/zinc/77/28/48/1125772848.db2.gz MOJSZLDTSQPERZ-UHFFFAOYSA-N -1 0 343.276 3.702 20 0 EHADRM Cc1nc(CN[C@H](Cc2ccccc2)C(=O)[O-])sc1C(C)(C)C ZINC001600702199 1126219988 /nfs/dbraw/zinc/21/99/88/1126219988.db2.gz KZZKUGGXJQBSJT-CQSZACIVSA-N -1 0 332.469 3.535 20 0 EHADRM COc1cc(F)cc(C[C@H](C)NC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000622674405 1126745437 /nfs/dbraw/zinc/74/54/37/1126745437.db2.gz JEEVXZNOUCXPQI-JTQLQIEISA-N -1 0 337.778 3.554 20 0 EHADRM Cc1cc(F)ccc1C[C@@H](C)NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000622747836 1126757242 /nfs/dbraw/zinc/75/72/42/1126757242.db2.gz OUBVGHIJYNOXDU-SNVBAGLBSA-N -1 0 339.769 3.993 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1cnc(-c2ccccc2)nc1 ZINC000172111621 1126780890 /nfs/dbraw/zinc/78/08/90/1126780890.db2.gz CHJLSQIOELVHGB-UHFFFAOYSA-N -1 0 325.755 3.755 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000172111792 1126781011 /nfs/dbraw/zinc/78/10/11/1126781011.db2.gz MYVNVVPZMDLJJL-UHFFFAOYSA-N -1 0 330.771 3.646 20 0 EHADRM CCC(CC)(CNC(=O)N[C@@H](C)c1ccc(Cl)cc1)C(=O)[O-] ZINC000336854822 1126812224 /nfs/dbraw/zinc/81/22/24/1126812224.db2.gz SCBILQHLVQAXEO-NSHDSACASA-N -1 0 326.824 3.591 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000336874922 1126813745 /nfs/dbraw/zinc/81/37/45/1126813745.db2.gz ZDVCMORBULGJPS-MRXNPFEDSA-N -1 0 331.799 3.984 20 0 EHADRM O=S(=O)([N-]c1c[nH]nc1-c1ccccc1)c1ccc(Cl)s1 ZINC000179096037 1127044315 /nfs/dbraw/zinc/04/43/15/1127044315.db2.gz XDUGRAGQWFEMIV-UHFFFAOYSA-N -1 0 339.829 3.592 20 0 EHADRM O=C(c1[n-]cnc1-c1nc([C@@H]2CCCCS2)no1)c1ccccc1 ZINC000350184054 1127066065 /nfs/dbraw/zinc/06/60/65/1127066065.db2.gz RXTMQXIQFKTAPA-LBPRGKRZSA-N -1 0 340.408 3.649 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2O)c1Cl ZINC000179997667 1127107765 /nfs/dbraw/zinc/10/77/65/1127107765.db2.gz WBISIVGLJZHMQT-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM O=c1nc(CCCc2ccccc2Br)[n-]c2ccsc21 ZINC000181357069 1127274808 /nfs/dbraw/zinc/27/48/08/1127274808.db2.gz AUUKPSXYCMNIFT-UHFFFAOYSA-N -1 0 349.253 3.922 20 0 EHADRM Cc1cccc(O)c1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C ZINC000182471657 1127331827 /nfs/dbraw/zinc/33/18/27/1127331827.db2.gz QPOHWOPSOABMLC-UHFFFAOYSA-N -1 0 345.342 3.829 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)c(C)o1 ZINC000182776526 1127347013 /nfs/dbraw/zinc/34/70/13/1127347013.db2.gz YICLNSCXVTWGGP-UHFFFAOYSA-N -1 0 335.303 3.596 20 0 EHADRM CCSc1ccc([C@@H](C)[N-]S(=O)(=O)[C@H](C)C(F)(F)F)cc1 ZINC000184416284 1127404024 /nfs/dbraw/zinc/40/40/24/1127404024.db2.gz UFNLMNITBXRNAH-NXEZZACHSA-N -1 0 341.420 3.730 20 0 EHADRM Cc1ccnn1-c1ccccc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000184597276 1127409657 /nfs/dbraw/zinc/40/96/57/1127409657.db2.gz ZECNLELUDYGSNJ-UHFFFAOYSA-N -1 0 347.296 3.556 20 0 EHADRM Cc1noc(C(C)C)c1[N-]S(=O)(=O)c1cccc(C(F)F)c1 ZINC000901760186 1127433582 /nfs/dbraw/zinc/43/35/82/1127433582.db2.gz CUUYDVIVXIYTQB-UHFFFAOYSA-N -1 0 330.356 3.845 20 0 EHADRM CC(C)n1ncc2ccc(NC(=O)c3cc(F)c(F)c([O-])c3F)cc21 ZINC000185733901 1127430917 /nfs/dbraw/zinc/43/09/17/1127430917.db2.gz LORLDFICVFWPQS-UHFFFAOYSA-N -1 0 349.312 3.992 20 0 EHADRM Cc1ccc(SCCNC(=O)c2cc(F)c(F)c([O-])c2F)cc1 ZINC000193928575 1127448640 /nfs/dbraw/zinc/44/86/40/1127448640.db2.gz LWEJOWFSWQPXKH-UHFFFAOYSA-N -1 0 341.354 3.640 20 0 EHADRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)Cc2c(F)cccc2F)n[nH]1 ZINC000194608165 1127463331 /nfs/dbraw/zinc/46/33/31/1127463331.db2.gz VQMBWRFGEBOKDG-SNVBAGLBSA-N -1 0 343.399 3.533 20 0 EHADRM CCn1cc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC000195211754 1127475378 /nfs/dbraw/zinc/47/53/78/1127475378.db2.gz MSTGDECJHYEGIG-UHFFFAOYSA-N -1 0 336.391 3.632 20 0 EHADRM CCC[C@H](C(=O)[N-]S(=O)(=O)c1cccc(C(C)C)c1)C(C)C ZINC000764685940 1127522939 /nfs/dbraw/zinc/52/29/39/1127522939.db2.gz HYWMYEBOAOSBGR-INIZCTEOSA-N -1 0 325.474 3.687 20 0 EHADRM O=[N+]([O-])c1cc(/C=C\c2ccc3cccc([N+](=O)[O-])c3n2)ccc1[O-] ZINC000213630028 1127582586 /nfs/dbraw/zinc/58/25/86/1127582586.db2.gz GFOZUJLFBNIBON-DAXSKMNVSA-N -1 0 337.291 3.927 20 0 EHADRM Cc1cc2sc([N-]S(=O)(=O)c3cccc(F)c3)nc2c(C)c1 ZINC000016125008 1127660001 /nfs/dbraw/zinc/66/00/01/1127660001.db2.gz SEFFBZOQUVKPNU-UHFFFAOYSA-N -1 0 336.413 3.853 20 0 EHADRM Cc1ccc(-c2nc3cc4c(cc3c(C)c2CC(=O)[O-])OCO4)s1 ZINC000019413916 1127677107 /nfs/dbraw/zinc/67/71/07/1127677107.db2.gz JOOSPEOZITXINR-UHFFFAOYSA-N -1 0 341.388 3.936 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)c(Cl)c1 ZINC000032086159 1127846233 /nfs/dbraw/zinc/84/62/33/1127846233.db2.gz UNLLWAOOXNNHTI-UHFFFAOYSA-N -1 0 347.827 3.839 20 0 EHADRM O=C([O-])c1cnc(-c2ccccc2)nc1/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000038929270 1127871564 /nfs/dbraw/zinc/87/15/64/1127871564.db2.gz QGSZUDXZVDHSCI-DHZHZOJOSA-N -1 0 347.330 3.920 20 0 EHADRM O=C(C1CC1)C1(c2nc(-c3ccc4[n-]c(=S)sc4c3)no2)CC1 ZINC001212353439 1127922174 /nfs/dbraw/zinc/92/21/74/1127922174.db2.gz DVNXBAFHWGIZFV-UHFFFAOYSA-N -1 0 343.433 3.646 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)c1 ZINC000351662698 1127980690 /nfs/dbraw/zinc/98/06/90/1127980690.db2.gz RLZPDAVMAQJNOK-UHFFFAOYSA-N -1 0 348.371 3.623 20 0 EHADRM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc(C(F)(F)F)cn1 ZINC000472790139 1128019082 /nfs/dbraw/zinc/01/90/82/1128019082.db2.gz QGPBYDVKCRYAGU-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)c1 ZINC000063849288 1128159231 /nfs/dbraw/zinc/15/92/31/1128159231.db2.gz VDAWRSSLNCVPAF-UHFFFAOYSA-N -1 0 337.416 3.860 20 0 EHADRM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc(C)s2)c1 ZINC000069572885 1128288678 /nfs/dbraw/zinc/28/86/78/1128288678.db2.gz KCNHRHNMTRDARP-UHFFFAOYSA-N -1 0 341.454 3.655 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCOC[C@H]1c1ccccc1 ZINC000074191798 1128336419 /nfs/dbraw/zinc/33/64/19/1128336419.db2.gz JYJFTYVQAYQALY-HNNXBMFYSA-N -1 0 340.404 3.704 20 0 EHADRM O=C([N-]S(=O)(=O)CC1CC1)c1sc2ccccc2c1Cl ZINC000073538205 1128394995 /nfs/dbraw/zinc/39/49/95/1128394995.db2.gz MEWIWPCAZPDNDJ-UHFFFAOYSA-N -1 0 329.830 3.599 20 0 EHADRM CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)cc1 ZINC000671854951 1128426606 /nfs/dbraw/zinc/42/66/06/1128426606.db2.gz GERXOCZSXNIVHN-UHFFFAOYSA-N -1 0 336.395 3.727 20 0 EHADRM CC(C)[C@@H](CC1CCCC1)C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000671855401 1128426644 /nfs/dbraw/zinc/42/66/44/1128426644.db2.gz FSRVYGAPNMMIQK-MRXNPFEDSA-N -1 0 342.443 3.968 20 0 EHADRM C[C@H]1CCC(C)(C)N1C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000616164690 1128452703 /nfs/dbraw/zinc/45/27/03/1128452703.db2.gz GEUBBMPJNVKGQJ-NSHDSACASA-N -1 0 333.819 3.634 20 0 EHADRM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1ccccc1C1CCC1 ZINC001128072087 1128493517 /nfs/dbraw/zinc/49/35/17/1128493517.db2.gz MYMIUAGMVOSFIY-UHFFFAOYSA-N -1 0 335.363 3.550 20 0 EHADRM CC[C@H](CNC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655858942 1128509101 /nfs/dbraw/zinc/50/91/01/1128509101.db2.gz BSKCBKFAECVVFU-TXCZRRACSA-N -1 0 346.471 3.615 20 0 EHADRM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000055619431 1128525540 /nfs/dbraw/zinc/52/55/40/1128525540.db2.gz CKVLCDZMJNOKAD-UHFFFAOYSA-N -1 0 345.342 3.692 20 0 EHADRM C[C@H](NC(=O)N=c1ncn(C2CCCCC2)[n-]1)[C@@H](C)c1ccccc1 ZINC000542723989 1128562445 /nfs/dbraw/zinc/56/24/45/1128562445.db2.gz UQJMGTFMGXBIHC-CABCVRRESA-N -1 0 341.459 3.519 20 0 EHADRM Cc1nc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c2ccccn12 ZINC000765864155 1128623407 /nfs/dbraw/zinc/62/34/07/1128623407.db2.gz XMFVRWGOWSZXJL-UHFFFAOYSA-N -1 0 336.178 3.907 20 0 EHADRM Cc1c2ccccc2oc1C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000057754038 1128663887 /nfs/dbraw/zinc/66/38/87/1128663887.db2.gz PNTJETJJARXWOJ-UHFFFAOYSA-N -1 0 335.319 3.749 20 0 EHADRM Cc1ccc(SC[C@@H](C)N=c2[n-]nc(C3CCOCC3)s2)cc1 ZINC000338702473 1128714034 /nfs/dbraw/zinc/71/40/34/1128714034.db2.gz YFPOMNROKSLRFF-CYBMUJFWSA-N -1 0 349.525 3.755 20 0 EHADRM Cc1cc(N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)ncc1Br ZINC000656091498 1128733422 /nfs/dbraw/zinc/73/34/22/1128733422.db2.gz FCPHQXQNQDQGPG-GARJFASQSA-N -1 0 341.249 3.700 20 0 EHADRM Cc1ccccc1C1CC(N=c2[n-]nc(C3CCOCC3)s2)C1 ZINC000338712391 1128734768 /nfs/dbraw/zinc/73/47/68/1128734768.db2.gz DCFJKZRAARHPCY-UHFFFAOYSA-N -1 0 329.469 3.521 20 0 EHADRM O=S(=O)([N-]c1cnc2c(c1)CCCC2)c1cc(F)cc(Cl)c1 ZINC000542933823 1128867707 /nfs/dbraw/zinc/86/77/07/1128867707.db2.gz ZOJYNQRWOSNLQM-UHFFFAOYSA-N -1 0 340.807 3.554 20 0 EHADRM O=C(NC[C@@H](O)C1CCC1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC001648847274 1120053751 /nfs/dbraw/zinc/05/37/51/1120053751.db2.gz OMFNDMKOSKJMAZ-QGZVFWFLSA-N -1 0 345.826 3.603 20 0 EHADRM O=S(=O)([N-]c1cccc2[nH]ccc21)c1c[nH]c2cccc(F)c21 ZINC000185230449 1120405383 /nfs/dbraw/zinc/40/53/83/1120405383.db2.gz UQKVWDVHSUWAFZ-UHFFFAOYSA-N -1 0 329.356 3.589 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1cc(-c2ccccc2)on1 ZINC000186429775 1120460914 /nfs/dbraw/zinc/46/09/14/1120460914.db2.gz LBGZVLGWNQIDCE-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000152993007 1120525169 /nfs/dbraw/zinc/52/51/69/1120525169.db2.gz ZZVPMPNTMDCXIW-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM CC[C@H](C)[C@@H](C)N(C(=O)c1nn(-c2ccccc2)cc1[O-])C1CC1 ZINC000162977652 1120557175 /nfs/dbraw/zinc/55/71/75/1120557175.db2.gz RSGAILZIZASSJQ-UONOGXRCSA-N -1 0 327.428 3.617 20 0 EHADRM C[C@H](CCCC(F)(F)F)NC(=O)N=c1[n-]nc(C(C)(C)C)s1 ZINC000494575561 1120600280 /nfs/dbraw/zinc/60/02/80/1120600280.db2.gz SGVRGIJHVWMLHI-MRVPVSSYSA-N -1 0 338.399 3.500 20 0 EHADRM COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1 ZINC000064467767 1128933223 /nfs/dbraw/zinc/93/32/23/1128933223.db2.gz AGDDUIQIMFTEOT-UHFFFAOYSA-N -1 0 347.436 3.706 20 0 EHADRM C[C@H](CN(C)C(=O)c1cc(O)c2ccccc2c1)c1nccs1 ZINC000355801988 1128936634 /nfs/dbraw/zinc/93/66/34/1128936634.db2.gz GRLRKPYSWRHUCR-GFCCVEGCSA-N -1 0 326.421 3.878 20 0 EHADRM Cc1c(C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)cnc2ccccc12 ZINC000761671826 1120778064 /nfs/dbraw/zinc/77/80/64/1120778064.db2.gz YCACJHORSFWEGG-FLIBITNWSA-N -1 0 332.359 3.893 20 0 EHADRM CC1(C)CCC(=CC(=O)NC[C@@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC000761699248 1120826716 /nfs/dbraw/zinc/82/67/16/1120826716.db2.gz QERRBEWBCZGSLY-QGZVFWFLSA-N -1 0 329.440 3.573 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccc(F)cc1F ZINC000761749038 1120874602 /nfs/dbraw/zinc/87/46/02/1120874602.db2.gz PRQZKSRLGFNWGC-SECBINFHSA-N -1 0 337.297 3.934 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)n[nH]1 ZINC000008697549 1128951509 /nfs/dbraw/zinc/95/15/09/1128951509.db2.gz QUOMIOFKPPLTTM-UHFFFAOYSA-N -1 0 347.362 3.527 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1ccc(-c2cc[nH]n2)s1 ZINC000762073113 1121091423 /nfs/dbraw/zinc/09/14/23/1121091423.db2.gz HMIPQDXCDHUNIH-UHFFFAOYSA-N -1 0 342.405 3.820 20 0 EHADRM COc1ccc(/C=C/C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1 ZINC000762157097 1121138903 /nfs/dbraw/zinc/13/89/03/1121138903.db2.gz HREVKOCAPGIVIW-GMMCIKNFSA-N -1 0 339.391 3.610 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)/C=C\c2ccccc2F)cc1)C(=O)[O-] ZINC000762173300 1121145294 /nfs/dbraw/zinc/14/52/94/1121145294.db2.gz WPLBBDJZMMNCEJ-ZWXCPPHNSA-N -1 0 327.355 3.741 20 0 EHADRM O=S(=O)([N-]c1scnc1C1CC1)c1cccc2c1CCCC2 ZINC000762475902 1121318807 /nfs/dbraw/zinc/31/88/07/1121318807.db2.gz MNKISPGGJIEVIB-UHFFFAOYSA-N -1 0 334.466 3.700 20 0 EHADRM O=C(Nc1ccc(-c2ccccc2)cn1)c1cc(F)c([O-])c(F)c1 ZINC000762583485 1121369285 /nfs/dbraw/zinc/36/92/85/1121369285.db2.gz ZFSYVYXFMXUCAR-UHFFFAOYSA-N -1 0 326.302 3.985 20 0 EHADRM CC(C)(C)OC(=O)CCCCOC(=O)c1ccc([O-])c(Cl)c1 ZINC000762828760 1121452677 /nfs/dbraw/zinc/45/26/77/1121452677.db2.gz GJLQOPVKUVEMHS-UHFFFAOYSA-N -1 0 328.792 3.714 20 0 EHADRM CCOc1ccc(-c2nc(CN(CC(=O)[O-])[C@@H](C)CC)cs2)cc1 ZINC000236902263 1121468393 /nfs/dbraw/zinc/46/83/93/1121468393.db2.gz SLPJMRGATLVWSK-ZDUSSCGKSA-N -1 0 348.468 3.894 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000236939341 1121469205 /nfs/dbraw/zinc/46/92/05/1121469205.db2.gz XPAAODPGVACPCF-ROUUACIJSA-N -1 0 331.456 3.653 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1cc2ccccc2s1 ZINC000237772547 1121493749 /nfs/dbraw/zinc/49/37/49/1121493749.db2.gz AMDAWMASCINROH-UHFFFAOYSA-N -1 0 341.388 3.925 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1cc2ccccc2s1)Cc1ccccc1 ZINC000238195329 1121506340 /nfs/dbraw/zinc/50/63/40/1121506340.db2.gz DUTFSWUTXVSUBQ-OAHLLOKOSA-N -1 0 339.416 3.575 20 0 EHADRM O=C(Cc1c[nH]c2ccc(F)cc12)Nc1cc(Cl)c([O-])cc1F ZINC000672485417 1128990627 /nfs/dbraw/zinc/99/06/27/1128990627.db2.gz LUSXEKHLGQIFFH-UHFFFAOYSA-N -1 0 336.725 3.986 20 0 EHADRM Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1ccc3[n-]c(=S)oc3c1)C2 ZINC000762962695 1121613090 /nfs/dbraw/zinc/61/30/90/1121613090.db2.gz NBZUAYZIYROWHZ-MRXNPFEDSA-N -1 0 340.404 3.676 20 0 EHADRM Cc1cc2c(cc1C)O[C@H](C(=O)Nc1ccc3[n-]c(=S)oc3c1)C2 ZINC000762962692 1121613132 /nfs/dbraw/zinc/61/31/32/1121613132.db2.gz NBZUAYZIYROWHZ-INIZCTEOSA-N -1 0 340.404 3.676 20 0 EHADRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)c(C)c1 ZINC000915816018 1121644425 /nfs/dbraw/zinc/64/44/25/1121644425.db2.gz WGRXFNSPVRVROA-UHFFFAOYSA-N -1 0 339.416 3.575 20 0 EHADRM O=S(=O)(C=C([O-])c1ccccc1)c1ccc(Cl)cc1Cl ZINC000322634639 1121662475 /nfs/dbraw/zinc/66/24/75/1121662475.db2.gz ZQODDCDVFHPGMG-UHFFFAOYSA-N -1 0 329.204 3.650 20 0 EHADRM C[C@H](CC(=O)N=c1ccc(C2CC2)n[n-]1)Cc1ccc(Cl)cc1 ZINC000537907309 1121695484 /nfs/dbraw/zinc/69/54/84/1121695484.db2.gz QJTZLJJIOPOJRJ-LBPRGKRZSA-N -1 0 329.831 3.637 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)c1 ZINC000436652263 1121813635 /nfs/dbraw/zinc/81/36/35/1121813635.db2.gz LKQPRPAFIDPDDA-MNOVXSKESA-N -1 0 329.318 3.902 20 0 EHADRM O=C(Nc1ccc(OC(F)F)c(F)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000056083632 1121905746 /nfs/dbraw/zinc/90/57/46/1121905746.db2.gz YPEWIZMWYYOFNI-UHFFFAOYSA-N -1 0 348.280 3.521 20 0 EHADRM COc1ccc(CO[N-]C(=O)C(C)(C)c2ccccc2)cc1Cl ZINC000763353626 1122056478 /nfs/dbraw/zinc/05/64/78/1122056478.db2.gz BKZRKWOZMGEBLV-UHFFFAOYSA-N -1 0 333.815 3.874 20 0 EHADRM C[C@@H](c1nc(-c2ccc(O)cc2F)no1)N(C)C(=O)OC(C)(C)C ZINC000496558180 1122119213 /nfs/dbraw/zinc/11/92/13/1122119213.db2.gz GEOBTXPKOZFNFM-VIFPVBQESA-N -1 0 337.351 3.509 20 0 EHADRM Cc1ccc([C@H]([N-]S(=O)(=O)CCCC(C)(F)F)C(F)(F)F)o1 ZINC000916829792 1122357699 /nfs/dbraw/zinc/35/76/99/1122357699.db2.gz SVCZYRVYSJFJKH-JTQLQIEISA-N -1 0 349.321 3.546 20 0 EHADRM CCCCN(OC)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O ZINC000497304611 1122446144 /nfs/dbraw/zinc/44/61/44/1122446144.db2.gz MMEYKCBEOMJUQR-UHFFFAOYSA-N -1 0 338.404 3.543 20 0 EHADRM CC(C)[C@@H](NC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)[O-] ZINC000037407740 1122588723 /nfs/dbraw/zinc/58/87/23/1122588723.db2.gz RVGYSECXYOLPKS-LLVKDONJSA-N -1 0 329.780 3.533 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)c1 ZINC000498025244 1122732171 /nfs/dbraw/zinc/73/21/71/1122732171.db2.gz JKLQAGITIQCSRW-UHFFFAOYSA-N -1 0 347.827 3.839 20 0 EHADRM CC(C)c1ccc2c(c1)CCCN2C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262738789 1122800766 /nfs/dbraw/zinc/80/07/66/1122800766.db2.gz WAOCJUKCEIJVCG-SHTZXODSSA-N -1 0 329.440 3.980 20 0 EHADRM CC[C@H](Cc1ccccc1)N(CC)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262741332 1122801159 /nfs/dbraw/zinc/80/11/59/1122801159.db2.gz WKTJCYMKDUHVNP-KZNAEPCWSA-N -1 0 331.456 3.747 20 0 EHADRM Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2cc(C)ccc2F)s1 ZINC000556320043 1122928423 /nfs/dbraw/zinc/92/84/23/1122928423.db2.gz SFUGYNLMOBKSMN-UHFFFAOYSA-N -1 0 342.461 3.898 20 0 EHADRM COc1ccc(N(CC2CC2)C(=O)c2s[n-]c(=O)c2Cl)cc1 ZINC000556672702 1123078604 /nfs/dbraw/zinc/07/86/04/1123078604.db2.gz MYTGKRISWVZTGJ-UHFFFAOYSA-N -1 0 338.816 3.568 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)C[C@@H](C)c1ccc(F)cc1F ZINC000262915007 1123089419 /nfs/dbraw/zinc/08/94/19/1123089419.db2.gz HZLHAQFMMYSDRS-LLVKDONJSA-N -1 0 327.371 3.608 20 0 EHADRM CCOc1c(Cl)cc(NC(=O)N[C@](C)(CC)C(=O)[O-])cc1Cl ZINC000556708135 1123089527 /nfs/dbraw/zinc/08/95/27/1123089527.db2.gz GUQPIHFUWFRQBC-CQSZACIVSA-N -1 0 349.214 3.767 20 0 EHADRM CCCN(C(=O)N[C@H](C)c1cc2ccccc2s1)[C@H](C)C(=O)[O-] ZINC000556707695 1123089673 /nfs/dbraw/zinc/08/96/73/1123089673.db2.gz CODDLPMVHNYCQY-VXGBXAGGSA-N -1 0 334.441 3.857 20 0 EHADRM Cc1ncc([N-]S(=O)(=O)c2csc3ccccc32)c(C2CC2)n1 ZINC000556801819 1123125826 /nfs/dbraw/zinc/12/58/26/1123125826.db2.gz UBDGASSEVQWAAL-UHFFFAOYSA-N -1 0 345.449 3.678 20 0 EHADRM C[C@H](c1ccccc1)N(C(=O)N=c1[n-]nc(C2CC2)s1)C1CC1 ZINC000556861755 1123156753 /nfs/dbraw/zinc/15/67/53/1123156753.db2.gz LVVWFHGLNTUMQY-LLVKDONJSA-N -1 0 328.441 3.595 20 0 EHADRM CC[C@@H](Cc1ccc(OC)c(OC)c1)Nc1cccc(CC(=O)[O-])c1 ZINC000556919362 1123208228 /nfs/dbraw/zinc/20/82/28/1123208228.db2.gz QAYGPGABINWHEH-INIZCTEOSA-N -1 0 343.423 3.764 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)s1 ZINC000920007112 1123261506 /nfs/dbraw/zinc/26/15/06/1123261506.db2.gz BKLLAIVBRXOIGD-GFCCVEGCSA-N -1 0 342.420 3.587 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Cc1cccc2ccc(OC)cc21 ZINC000263009924 1123314347 /nfs/dbraw/zinc/31/43/47/1123314347.db2.gz WMQKDLMQKMVQPX-UHFFFAOYSA-N -1 0 343.423 3.541 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)cnn1CC(C)C ZINC000499263872 1123315747 /nfs/dbraw/zinc/31/57/47/1123315747.db2.gz GGNILWHEEXPTHU-UHFFFAOYSA-N -1 0 349.500 3.882 20 0 EHADRM Cn1nc2c(c1Nc1c(Cl)cc(C(=O)[O-])cc1Cl)CCC2 ZINC001214509263 1129114140 /nfs/dbraw/zinc/11/41/40/1129114140.db2.gz QMZRXRKVDSLNRL-UHFFFAOYSA-N -1 0 326.183 3.657 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-])c1ccccc1C(F)(F)F ZINC000920208453 1123334188 /nfs/dbraw/zinc/33/41/88/1123334188.db2.gz AYCKGCDHRAVZRT-CYZMBNFOSA-N -1 0 341.329 3.550 20 0 EHADRM CC[C@H](NC(=O)c1cc(F)cc(Cl)c1[O-])c1nc(C)cs1 ZINC000133126290 1123348003 /nfs/dbraw/zinc/34/80/03/1123348003.db2.gz LYWITQBPODJYLE-NSHDSACASA-N -1 0 328.796 3.831 20 0 EHADRM COC(=O)N(C)c1ccc(NC(=O)c2c([O-])cccc2Cl)cc1 ZINC000920462928 1123371996 /nfs/dbraw/zinc/37/19/96/1123371996.db2.gz PMMHFWNSFBGEIE-UHFFFAOYSA-N -1 0 334.759 3.501 20 0 EHADRM COCc1cc(NC(=O)[C@@H]2CCCC[C@H]2C2CC2)cc(C(=O)[O-])c1 ZINC000649249014 1123384529 /nfs/dbraw/zinc/38/45/29/1123384529.db2.gz LHYCUORZKXQRJS-DLBZAZTESA-N -1 0 331.412 3.686 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)NCCc2ccc(C(=O)[O-])cc2)cc1 ZINC000236578634 1123435555 /nfs/dbraw/zinc/43/55/55/1123435555.db2.gz ACAWFHCTWLJPIY-UHFFFAOYSA-N -1 0 341.407 3.535 20 0 EHADRM CC[C@@H](Oc1ccccc1Cl)C(=O)NCC(CC)(CC)C(=O)[O-] ZINC000236886137 1123481128 /nfs/dbraw/zinc/48/11/28/1123481128.db2.gz JSGFUEJQGXBQPT-CYBMUJFWSA-N -1 0 341.835 3.505 20 0 EHADRM CCC(CC)c1nnc(NC(=O)c2c([O-])cc(F)cc2F)s1 ZINC000066044024 1129125466 /nfs/dbraw/zinc/12/54/66/1129125466.db2.gz QHMYUXFHPIVKSS-UHFFFAOYSA-N -1 0 327.356 3.678 20 0 EHADRM O=C(N[C@@H]1CCCOc2cc(F)ccc21)c1cccc(Cl)c1[O-] ZINC001127553626 1123542419 /nfs/dbraw/zinc/54/24/19/1123542419.db2.gz QVWCEGRNVQKQMO-CQSZACIVSA-N -1 0 335.762 3.828 20 0 EHADRM Cc1ncc(Cl)c(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)n1 ZINC000237872867 1123544818 /nfs/dbraw/zinc/54/48/18/1123544818.db2.gz OLYCUHOWGDXLLH-UHFFFAOYSA-N -1 0 347.783 3.604 20 0 EHADRM Cc1ccc2nc(C)c(C(=O)Nc3cc(C(=O)[O-])ccc3F)cc2c1 ZINC000237901533 1123547853 /nfs/dbraw/zinc/54/78/53/1123547853.db2.gz XYAMLOTYBXSGCW-UHFFFAOYSA-N -1 0 338.338 3.941 20 0 EHADRM CCC(=O)c1cccc([N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000135388214 1123606699 /nfs/dbraw/zinc/60/66/99/1123606699.db2.gz KCJBKFAXUSLXEK-UHFFFAOYSA-N -1 0 341.791 3.873 20 0 EHADRM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccc(F)cc3C)c2C)o1 ZINC000135404249 1123609826 /nfs/dbraw/zinc/60/98/26/1123609826.db2.gz JUJCJVVXJHJCLY-UHFFFAOYSA-N -1 0 349.387 3.535 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCC(c2ccc(O)cc2)CC1 ZINC000078486489 1123632223 /nfs/dbraw/zinc/63/22/23/1123632223.db2.gz SQUFXTUJDUKDIP-UHFFFAOYSA-N -1 0 331.799 3.771 20 0 EHADRM Cc1ccc(O)c([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000079720596 1123715227 /nfs/dbraw/zinc/71/52/27/1123715227.db2.gz VYEROQVQPROFLI-UHFFFAOYSA-N -1 0 331.315 3.520 20 0 EHADRM Cc1cc(C)cc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000064690929 1123716570 /nfs/dbraw/zinc/71/65/70/1123716570.db2.gz IGSZRVIARMPFRN-UHFFFAOYSA-N -1 0 341.791 3.789 20 0 EHADRM CC[C@H](C)n1nc(C(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)cc1C ZINC000615280448 1123770821 /nfs/dbraw/zinc/77/08/21/1123770821.db2.gz DXZNWDXWSLLWMX-NSHDSACASA-N -1 0 339.399 3.511 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)CCc2ccc(C)cc2C)sc1C(=O)[O-] ZINC000237581972 1123780651 /nfs/dbraw/zinc/78/06/51/1123780651.db2.gz YTBFVHXSHDMWNO-CYBMUJFWSA-N -1 0 346.452 3.577 20 0 EHADRM CCCCN(C(=O)c1ccc2oc(=O)nc-2[n-]1)[C@@H]1CCC[C@@H](C)C1 ZINC000615375043 1123788136 /nfs/dbraw/zinc/78/81/36/1123788136.db2.gz SHABMSWZOBTMOO-CHWSQXEVSA-N -1 0 331.416 3.749 20 0 EHADRM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCCCCCCC(=O)[O-] ZINC000237625483 1123794295 /nfs/dbraw/zinc/79/42/95/1123794295.db2.gz NCIBULWVZSHOGT-ZDUSSCGKSA-N -1 0 341.835 3.567 20 0 EHADRM Cc1cccc(OCCCCC(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000237709325 1123824377 /nfs/dbraw/zinc/82/43/77/1123824377.db2.gz CVOMSOKIDUPMLV-UHFFFAOYSA-N -1 0 341.407 3.559 20 0 EHADRM O=C(N=c1[n-]nc(C(F)(F)F)s1)c1cc2ccc(F)cc2s1 ZINC000615934190 1123915294 /nfs/dbraw/zinc/91/52/94/1123915294.db2.gz NBOBRISYEBXKSD-UHFFFAOYSA-N -1 0 347.318 3.585 20 0 EHADRM Cc1ccc(-c2[n-][nH]c(=NC(=O)[C@H]3CCc4cc(F)ccc43)c2C)o1 ZINC000616251353 1123969800 /nfs/dbraw/zinc/96/98/00/1123969800.db2.gz RWTUUDHOGFIWAY-HNNXBMFYSA-N -1 0 339.370 3.516 20 0 EHADRM C[C@H](O)C[C@H](C)N=c1[n-]nc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000543047928 1129158694 /nfs/dbraw/zinc/15/86/94/1129158694.db2.gz IPNOLHYWFZZUSR-YUMQZZPRSA-N -1 0 332.256 3.505 20 0 EHADRM COc1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c2ccccc12 ZINC000180371694 1123996879 /nfs/dbraw/zinc/99/68/79/1123996879.db2.gz MDBOGIKRYPJZAE-AWEZNQCLSA-N -1 0 341.407 3.565 20 0 EHADRM CCCC[C@@H](C)C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC000263553245 1124086313 /nfs/dbraw/zinc/08/63/13/1124086313.db2.gz XNKAKBONLBQISJ-UHOFOFEASA-N -1 0 337.847 3.793 20 0 EHADRM Cc1cc2[nH]c(C(=O)N=c3[n-]nc(C(C)(C)C)s3)cc2c(C)c1 ZINC000617311257 1124472982 /nfs/dbraw/zinc/47/29/82/1124472982.db2.gz UEKHVCRLANHDDC-UHFFFAOYSA-N -1 0 328.441 3.608 20 0 EHADRM O=C(N=c1cc(-c2cccs2)[nH][nH]1)c1cccc(Br)c1 ZINC000617365396 1124499622 /nfs/dbraw/zinc/49/96/22/1124499622.db2.gz KNGDUFFVTVBHHF-UHFFFAOYSA-N -1 0 348.225 3.575 20 0 EHADRM C[C@@H](C#N)Oc1ccccc1NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000181130229 1124537201 /nfs/dbraw/zinc/53/72/01/1124537201.db2.gz LLOATHFSQBDAHF-JTQLQIEISA-N -1 0 347.758 3.857 20 0 EHADRM Cc1c(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCC3)cccc1C(=O)[O-] ZINC000618074553 1124960167 /nfs/dbraw/zinc/96/01/67/1124960167.db2.gz ZPGKWUHOHZHVHE-CYBMUJFWSA-N -1 0 339.391 3.588 20 0 EHADRM CCOc1cc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)ccc1C ZINC000735267923 1131327619 /nfs/dbraw/zinc/32/76/19/1131327619.db2.gz OEWNHDOACPRKKR-UHFFFAOYSA-N -1 0 340.832 3.551 20 0 EHADRM CCCC[C@@H](CC)CC(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000735396165 1131339509 /nfs/dbraw/zinc/33/95/09/1131339509.db2.gz NKPVMHVHHUZZPZ-GFCCVEGCSA-N -1 0 331.865 3.751 20 0 EHADRM CCCC[C@H](CC)CC(=O)[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000735400491 1131342287 /nfs/dbraw/zinc/34/22/87/1131342287.db2.gz SRSXVBNVEOYJOL-AWEZNQCLSA-N -1 0 348.468 3.646 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c1 ZINC000182492675 1125318469 /nfs/dbraw/zinc/31/84/69/1125318469.db2.gz ZLPYJWDJGHXMKM-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000261972468 1125393402 /nfs/dbraw/zinc/39/34/02/1125393402.db2.gz ZDXUXUCUCDLWQF-WPRPVWTQSA-N -1 0 333.281 3.831 20 0 EHADRM CC(C)[C@H](NC(=O)CSCC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000619757057 1125395930 /nfs/dbraw/zinc/39/59/30/1125395930.db2.gz FBVGZQXUPVYNKC-KRWDZBQOSA-N -1 0 337.485 3.615 20 0 EHADRM O=C([O-])c1c[nH]c2ccc(-c3cccc(CO[C@@H]4CCOC4)c3)cc21 ZINC000657203549 1129200962 /nfs/dbraw/zinc/20/09/62/1129200962.db2.gz BGWHQASIOVINSE-MRXNPFEDSA-N -1 0 337.375 3.839 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2ccc3ccc(Br)cc3n2)C1 ZINC000422559523 1129201488 /nfs/dbraw/zinc/20/14/88/1129201488.db2.gz SGBUJRPBJNDXPH-ZYHUDNBSSA-N -1 0 349.228 3.544 20 0 EHADRM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3ccc(C)cc3F)c2)o1 ZINC000066814561 1129213730 /nfs/dbraw/zinc/21/37/30/1129213730.db2.gz YCNIMAPRLZTHEP-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(Br)cc2)c(F)c1 ZINC000478829363 1129275620 /nfs/dbraw/zinc/27/56/20/1129275620.db2.gz OUOVRICKCBPXDA-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2CC(F)(F)F)c(F)c1 ZINC000478846109 1129279365 /nfs/dbraw/zinc/27/93/65/1129279365.db2.gz QNYLSDFWKZSAJU-UHFFFAOYSA-N -1 0 341.260 3.881 20 0 EHADRM CCCc1ccccc1[N-]S(=O)(=O)c1c(C)nn(CC(C)C)c1C ZINC000543162435 1129303625 /nfs/dbraw/zinc/30/36/25/1129303625.db2.gz NFWUAKARLSIQLM-UHFFFAOYSA-N -1 0 349.500 3.909 20 0 EHADRM CCn1nc(C)c([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1C ZINC000172905364 1129311497 /nfs/dbraw/zinc/31/14/97/1129311497.db2.gz LXBDNHVDXIJFBJ-UHFFFAOYSA-N -1 0 348.255 3.627 20 0 EHADRM Cc1cccc(CN(CC(C)C)C(=O)c2n[n-]c3ccccc3c2=O)c1 ZINC000735657429 1131370200 /nfs/dbraw/zinc/37/02/00/1131370200.db2.gz YSNJNYYQGRYHGD-UHFFFAOYSA-N -1 0 349.434 3.942 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccccc2)cn1)c1cccc(F)c1F ZINC000069676018 1129473282 /nfs/dbraw/zinc/47/32/82/1129473282.db2.gz IRCFBGLZKKIHCB-UHFFFAOYSA-N -1 0 346.358 3.828 20 0 EHADRM CC(C)Oc1ccc(CNC(=O)c2ccc3[n-]c(=S)oc3c2)cc1 ZINC000735880493 1131385554 /nfs/dbraw/zinc/38/55/54/1131385554.db2.gz WPWSHPQHVOGUBQ-UHFFFAOYSA-N -1 0 342.420 3.834 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000347729503 1129647210 /nfs/dbraw/zinc/64/72/10/1129647210.db2.gz GTNWMCPTJYIJKK-CYBMUJFWSA-N -1 0 329.421 3.574 20 0 EHADRM Cc1nc(COc2ccc(CN=c3[n-]c(C(C)C)no3)cc2)cs1 ZINC000347760756 1129696880 /nfs/dbraw/zinc/69/68/80/1129696880.db2.gz PRAIHKRXNJSRJW-UHFFFAOYSA-N -1 0 344.440 3.571 20 0 EHADRM CCOc1cc([N-]S(=O)(=O)c2cc(C)cc(C)c2OC)ccc1C ZINC000509073566 1129721244 /nfs/dbraw/zinc/72/12/44/1129721244.db2.gz CIHSJEOJANERDZ-UHFFFAOYSA-N -1 0 349.452 3.820 20 0 EHADRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000509100779 1129749476 /nfs/dbraw/zinc/74/94/76/1129749476.db2.gz UGGAZVRIHCZALN-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2c[nH]c(C(C)C)n2)cc1 ZINC000673884038 1129895839 /nfs/dbraw/zinc/89/58/39/1129895839.db2.gz HVWPMBOZAHMYKU-GFCCVEGCSA-N -1 0 337.445 3.511 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)N=c2ccc(-c3ccccc3)n[n-]2)c1 ZINC000466634962 1129992139 /nfs/dbraw/zinc/99/21/39/1129992139.db2.gz SLENMYGUWYZOOT-HNNXBMFYSA-N -1 0 347.418 3.706 20 0 EHADRM CCc1nnc(-c2cccc(NC(=O)c3c([O-])cc(F)cc3F)c2)o1 ZINC000173314149 1130206317 /nfs/dbraw/zinc/20/63/17/1130206317.db2.gz LZPAMFNFRYUYRA-UHFFFAOYSA-N -1 0 345.305 3.535 20 0 EHADRM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1cccc2c1OCO2 ZINC000509238225 1130206580 /nfs/dbraw/zinc/20/65/80/1130206580.db2.gz HRKMHBJVCFGALO-UHFFFAOYSA-N -1 0 347.436 3.649 20 0 EHADRM Fc1ccc(CN=c2[n-]nc(CCc3ccccc3)o2)c2ncccc12 ZINC000347897254 1130288351 /nfs/dbraw/zinc/28/83/51/1130288351.db2.gz PDMYEWRIPZHHBX-UHFFFAOYSA-N -1 0 348.381 3.576 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccn([C@H](C)c2ccccc2)n1 ZINC000675285771 1130299833 /nfs/dbraw/zinc/29/98/33/1130299833.db2.gz ZCZZQRGJMMQTRI-CYBMUJFWSA-N -1 0 347.465 3.663 20 0 EHADRM C[C@@H](CC(=O)N(CC(=O)[O-])CC1CC1)c1cccc(C(F)(F)F)c1 ZINC000675974340 1130513491 /nfs/dbraw/zinc/51/34/91/1130513491.db2.gz MROHEFDUBLZCOS-NSHDSACASA-N -1 0 343.345 3.522 20 0 EHADRM CC(C)[C@@H](Sc1ccccc1)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000676214569 1130549147 /nfs/dbraw/zinc/54/91/47/1130549147.db2.gz HIDBWMNIFFSDKL-WMLDXEAASA-N -1 0 335.469 3.517 20 0 EHADRM CCCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000727951828 1130612405 /nfs/dbraw/zinc/61/24/05/1130612405.db2.gz MYIIZPIDMCYJHJ-ZDUSSCGKSA-N -1 0 329.437 3.627 20 0 EHADRM CCCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(C)s1 ZINC000727950906 1130612561 /nfs/dbraw/zinc/61/25/61/1130612561.db2.gz KVMVSWSJOBLBIZ-LBPRGKRZSA-N -1 0 331.503 3.858 20 0 EHADRM C[C@@H](Oc1nc[n-]c(=O)c1Cl)c1ccc(Br)cc1 ZINC001230014312 1130741521 /nfs/dbraw/zinc/74/15/21/1130741521.db2.gz KXQPZPIQTOXWGF-SSDOTTSWSA-N -1 0 329.581 3.738 20 0 EHADRM COc1cccc(C2(C(=O)[N-]OCc3ccccc3)CCCC2)c1 ZINC000731183626 1130776997 /nfs/dbraw/zinc/77/69/97/1130776997.db2.gz NJAYOCSHCHMHIP-UHFFFAOYSA-N -1 0 325.408 3.755 20 0 EHADRM CC(C)C[C@H](NC(=O)c1n[n-]c2ccccc2c1=O)c1ccccc1 ZINC000731868041 1130856127 /nfs/dbraw/zinc/85/61/27/1130856127.db2.gz JMSXEFKOBIIMEZ-KRWDZBQOSA-N -1 0 335.407 3.853 20 0 EHADRM O=C(NCC1(c2ccccc2)CCCC1)c1n[n-]c2ccccc2c1=O ZINC000731866733 1130856846 /nfs/dbraw/zinc/85/68/46/1130856846.db2.gz XGEPGFQMWIGVQS-UHFFFAOYSA-N -1 0 347.418 3.577 20 0 EHADRM CCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000732613328 1130942201 /nfs/dbraw/zinc/94/22/01/1130942201.db2.gz HEQLANMEUQAAFR-HNNXBMFYSA-N -1 0 345.464 3.985 20 0 EHADRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1cc2cc(Cl)ccc2o1 ZINC000732909288 1130969129 /nfs/dbraw/zinc/96/91/29/1130969129.db2.gz YYSHIYLBFVQLSY-JTQLQIEISA-N -1 0 343.832 3.582 20 0 EHADRM CCC(CC)CS(=O)(=O)[N-]C(=O)c1cc2c(cccc2F)s1 ZINC000733060152 1130990351 /nfs/dbraw/zinc/99/03/51/1130990351.db2.gz JSUUIIAWWAGZLQ-UHFFFAOYSA-N -1 0 343.445 3.536 20 0 EHADRM C[C@]12CC3CC(C(=O)N[C@@H]4CC[C@H](CC(=O)[O-])C4)(C1)C[C@@](C)(C3)C2 ZINC000379030004 1131168167 /nfs/dbraw/zinc/16/81/67/1131168167.db2.gz CUGHISGJFQPCSX-YNVCXSHYSA-N -1 0 333.472 3.743 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)cc1 ZINC000738557435 1131472668 /nfs/dbraw/zinc/47/26/68/1131472668.db2.gz FXKMAEXYTCWQRN-UMBVUCBTSA-N -1 0 343.329 3.805 20 0 EHADRM CCCn1cc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cn1 ZINC000743261994 1131885646 /nfs/dbraw/zinc/88/56/46/1131885646.db2.gz PCANPFIQUYUDFL-UHFFFAOYSA-N -1 0 335.473 3.636 20 0 EHADRM CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000744002244 1132002618 /nfs/dbraw/zinc/00/26/18/1132002618.db2.gz JGGJYXUJVSZQHE-JTQLQIEISA-N -1 0 337.894 3.813 20 0 EHADRM Cc1nocc1[N-]c1cc([C@H]2CCCN2C(=O)OC(C)(C)C)no1 ZINC001212720212 1132033594 /nfs/dbraw/zinc/03/35/94/1132033594.db2.gz DLNYHVVVTRSJOP-CYBMUJFWSA-N -1 0 334.376 3.787 20 0 EHADRM Fc1nccc(-c2nc(-c3ccc4[n-]c(=S)sc4c3)no2)c1F ZINC001212758504 1132145545 /nfs/dbraw/zinc/14/55/45/1132145545.db2.gz XFPKYDNXMQFHRE-UHFFFAOYSA-N -1 0 348.359 3.975 20 0 EHADRM COc1ccc(Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)c(F)c1 ZINC001174145388 1132252740 /nfs/dbraw/zinc/25/27/40/1132252740.db2.gz INEDUEGPNZCERM-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@H](C)C2CCCCC2)c(F)c1 ZINC000745966066 1132340954 /nfs/dbraw/zinc/34/09/54/1132340954.db2.gz CSRMMMHUFCFOTF-ZDUSSCGKSA-N -1 0 341.448 3.546 20 0 EHADRM O=S(=O)([O-])c1cccc2cc(Nc3ccnc4[nH]ccc43)ccc21 ZINC001174412774 1132366964 /nfs/dbraw/zinc/36/69/64/1132366964.db2.gz ZDXKBMYWLGEFOV-UHFFFAOYSA-N -1 0 339.376 3.658 20 0 EHADRM COc1ccccc1-n1nccc1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174494528 1132371454 /nfs/dbraw/zinc/37/14/54/1132371454.db2.gz AIIMKKHLFKQCGV-MDZDMXLPSA-N -1 0 335.363 3.722 20 0 EHADRM COC(=O)c1cc(F)c(Nc2cccc(/C=C/C(=O)[O-])c2)cc1F ZINC001174497032 1132372408 /nfs/dbraw/zinc/37/24/08/1132372408.db2.gz AYIOYWRETGGQLG-AATRIKPKSA-N -1 0 333.290 3.593 20 0 EHADRM COc1cc(Nc2ccc(CN3CCOCC3)cc2)ccc1[S-] ZINC001174448359 1132374477 /nfs/dbraw/zinc/37/44/77/1132374477.db2.gz LXEYVFJTANJXKP-UHFFFAOYSA-N -1 0 330.453 3.560 20 0 EHADRM Cc1ccc([C@H](C)CNC(=O)c2ccc3[n-]c(=S)oc3c2)cc1 ZINC000746284080 1132397873 /nfs/dbraw/zinc/39/78/73/1132397873.db2.gz FYAOKWWZAPUUTK-GFCCVEGCSA-N -1 0 326.421 3.958 20 0 EHADRM CCO[C@H]1C[C@@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)C12CCCC2 ZINC000184460460 1132409720 /nfs/dbraw/zinc/40/97/20/1132409720.db2.gz MLIUSOUKGVHZFA-KGLIPLIRSA-N -1 0 341.810 3.652 20 0 EHADRM COc1cc(Nc2ccc(C(=O)[O-])cc2OC)c(Cl)c(OC)c1 ZINC001174674999 1132432782 /nfs/dbraw/zinc/43/27/82/1132432782.db2.gz DCFOFIMHIJHSCY-UHFFFAOYSA-N -1 0 337.759 3.808 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ccsc1Br ZINC001174677969 1132433866 /nfs/dbraw/zinc/43/38/66/1132433866.db2.gz VFUVKZNKPIXLPX-UHFFFAOYSA-N -1 0 328.187 3.961 20 0 EHADRM COC(=O)c1cc(C)c(C)c(Nc2ccc(C(=O)[O-])cc2OC)c1 ZINC001174680102 1132434663 /nfs/dbraw/zinc/43/46/63/1132434663.db2.gz NELFNWWGFXDHKO-UHFFFAOYSA-N -1 0 329.352 3.540 20 0 EHADRM COc1cc(Nc2sc(C)nc2C(F)(F)F)ccc1C(=O)[O-] ZINC001174683396 1132435679 /nfs/dbraw/zinc/43/56/79/1132435679.db2.gz WWEMGBJKPFGUQC-UHFFFAOYSA-N -1 0 332.303 3.921 20 0 EHADRM COc1cc(Nc2cc(C)nn2-c2cccc(F)c2)ccc1C(=O)[O-] ZINC001174684459 1132436076 /nfs/dbraw/zinc/43/60/76/1132436076.db2.gz OCSQYIBONMOIGV-UHFFFAOYSA-N -1 0 341.342 3.770 20 0 EHADRM COc1ccc(C(F)(F)F)cc1Nc1cccc(S(=O)(=O)[O-])c1 ZINC001174777438 1132462140 /nfs/dbraw/zinc/46/21/40/1132462140.db2.gz YIXMHIKFWQJRGS-UHFFFAOYSA-N -1 0 347.314 3.704 20 0 EHADRM COC(=O)c1sc2cccnc2c1Nc1ccc(C(=O)[O-])s1 ZINC001174806273 1132477996 /nfs/dbraw/zinc/47/79/96/1132477996.db2.gz YQVDXWLVGATGHF-UHFFFAOYSA-N -1 0 334.378 3.586 20 0 EHADRM COC(=O)c1nc2ccccc2cc1Nc1ccc(C(=O)[O-])s1 ZINC001174807841 1132479382 /nfs/dbraw/zinc/47/93/82/1132479382.db2.gz OQBJBTVEFGGFLG-UHFFFAOYSA-N -1 0 328.349 3.525 20 0 EHADRM CNc1ccc(Br)cc1Nc1ccc(C(=O)[O-])s1 ZINC001174813036 1132481333 /nfs/dbraw/zinc/48/13/33/1132481333.db2.gz UBNJSPHDMRXQQS-UHFFFAOYSA-N -1 0 327.203 3.994 20 0 EHADRM COc1cc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)ccc1OC(C)C ZINC000746357148 1132494368 /nfs/dbraw/zinc/49/43/68/1132494368.db2.gz UAJASSTVAWTBLV-UHFFFAOYSA-N -1 0 347.342 3.572 20 0 EHADRM O=C([O-])Cc1ccc(Nc2cc(Cl)cnc2Br)cc1 ZINC001174948170 1132515516 /nfs/dbraw/zinc/51/55/16/1132515516.db2.gz XSHZSMNEXIMSRO-UHFFFAOYSA-N -1 0 341.592 3.868 20 0 EHADRM O=C([O-])Cc1ccc(Nc2cc(Cl)cc(Br)n2)cc1 ZINC001174951619 1132516957 /nfs/dbraw/zinc/51/69/57/1132516957.db2.gz JLVZIANOLCKSOO-UHFFFAOYSA-N -1 0 341.592 3.868 20 0 EHADRM COC(=O)c1c(F)ccc(Nc2ccc(CC(=O)[O-])cc2)c1Cl ZINC001174957227 1132518205 /nfs/dbraw/zinc/51/82/05/1132518205.db2.gz XHUDSGJJYWIBTK-UHFFFAOYSA-N -1 0 337.734 3.636 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000391350040 1132518983 /nfs/dbraw/zinc/51/89/83/1132518983.db2.gz KYLGIJSPRWYUHU-NEPJUHHUSA-N -1 0 347.720 3.964 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CCC(=O)NCC2(CC(=O)[O-])CCCCC2)o1 ZINC000392649728 1132520377 /nfs/dbraw/zinc/52/03/77/1132520377.db2.gz TXIFMABFLHCRSV-GDBMZVCRSA-N -1 0 347.455 3.877 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1cccn2c(Br)cnc12 ZINC001174981005 1132534124 /nfs/dbraw/zinc/53/41/24/1132534124.db2.gz GEWPOODZIHACGT-UHFFFAOYSA-N -1 0 346.184 3.847 20 0 EHADRM CCOC(=O)c1ncc(Nc2cc(C(=O)[O-])ccc2C)cc1Cl ZINC001174983208 1132535188 /nfs/dbraw/zinc/53/51/88/1132535188.db2.gz HAZDQUJQAMZSNW-UHFFFAOYSA-N -1 0 334.759 3.662 20 0 EHADRM COCCOc1c(F)cc(Nc2cc(C(=O)[O-])ccc2C)cc1F ZINC001174987103 1132536659 /nfs/dbraw/zinc/53/66/59/1132536659.db2.gz ZBWHFECBAXXGMQ-UHFFFAOYSA-N -1 0 337.322 3.740 20 0 EHADRM CC(C)[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1ccsc1 ZINC000766444175 1132545354 /nfs/dbraw/zinc/54/53/54/1132545354.db2.gz AWQOCKPJLIPCPT-OAHLLOKOSA-N -1 0 343.514 3.796 20 0 EHADRM Cc1ncc(Nc2ccc(C(=O)[O-])c(F)c2)cc1Br ZINC001175154823 1132568896 /nfs/dbraw/zinc/56/88/96/1132568896.db2.gz USAMIXFRGUPHQQ-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM Cc1cc(Br)cnc1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175154782 1132568947 /nfs/dbraw/zinc/56/89/47/1132568947.db2.gz DJSJEHTUWJKXHU-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM COc1ncc(Nc2ccc(C(=O)[O-])c(F)c2)cc1C(F)(F)F ZINC001175161709 1132568974 /nfs/dbraw/zinc/56/89/74/1132568974.db2.gz QXDHUVGNUHQYKV-UHFFFAOYSA-N -1 0 330.237 3.690 20 0 EHADRM COc1cccc(-c2cc(Nc3ccc(C(=O)[O-])c(F)c3)on2)c1 ZINC001175154556 1132569008 /nfs/dbraw/zinc/56/90/08/1132569008.db2.gz PXXBBZBHLZLDLF-UHFFFAOYSA-N -1 0 328.299 3.931 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(C(=O)N3CCCC3)cc2)cc1F ZINC001175156276 1132569395 /nfs/dbraw/zinc/56/93/95/1132569395.db2.gz AHROGSFGBUXRDD-UHFFFAOYSA-N -1 0 328.343 3.504 20 0 EHADRM O=C([O-])c1ccc(Nc2nc(F)ccc2Br)cc1F ZINC001175161728 1132569763 /nfs/dbraw/zinc/56/97/63/1132569763.db2.gz RLFHBOTWSPRQTC-UHFFFAOYSA-N -1 0 329.100 3.564 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(NCCC3CCC3)cn2)cc1 ZINC001168888584 1132589347 /nfs/dbraw/zinc/58/93/47/1132589347.db2.gz HCFWPLGASJYMRU-UHFFFAOYSA-N -1 0 345.468 3.793 20 0 EHADRM Nc1c(-c2cccc(Cl)c2)cnn1-c1ccc(F)c(C(=O)[O-])c1 ZINC001175215712 1132597664 /nfs/dbraw/zinc/59/76/64/1132597664.db2.gz QUVROIJSBFLDJJ-UHFFFAOYSA-N -1 0 331.734 3.612 20 0 EHADRM COc1ccc(-c2ccccn2)nc1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175216093 1132597867 /nfs/dbraw/zinc/59/78/67/1132597867.db2.gz XWVDIIWLQMOVAC-UHFFFAOYSA-N -1 0 339.326 3.733 20 0 EHADRM CC(C)(C)OC(=O)c1ccc(Nc2ccc(F)c(C(=O)[O-])c2)cc1O ZINC001175222628 1132599847 /nfs/dbraw/zinc/59/98/47/1132599847.db2.gz YLYJVSGGJOZWJQ-UHFFFAOYSA-N -1 0 347.342 3.928 20 0 EHADRM Cc1cc(Nc2ccc(C(=O)[O-])c(Cl)c2)ccc1N1CCOCC1 ZINC001175319106 1132637246 /nfs/dbraw/zinc/63/72/46/1132637246.db2.gz MHTOBPXFTZDZOV-UHFFFAOYSA-N -1 0 346.814 3.927 20 0 EHADRM COC(=O)c1ccc(Nc2ccc(C(=O)[O-])c(Cl)c2)c(F)c1F ZINC001175319822 1132637771 /nfs/dbraw/zinc/63/77/71/1132637771.db2.gz BDQDETQYEHIRKA-UHFFFAOYSA-N -1 0 341.697 3.847 20 0 EHADRM Cc1ccc(C(=O)NC2CC2)cc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175320066 1132638268 /nfs/dbraw/zinc/63/82/68/1132638268.db2.gz ASUICYZFBLQMMM-UHFFFAOYSA-N -1 0 344.798 3.982 20 0 EHADRM COC(=O)c1ccc(OC)cc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175320934 1132638412 /nfs/dbraw/zinc/63/84/12/1132638412.db2.gz XBFAWIOCQMNXMI-UHFFFAOYSA-N -1 0 335.743 3.577 20 0 EHADRM Cc1nc(Nc2cccc(C(=O)[O-])c2)nc(Cl)c1Br ZINC001175328218 1132640319 /nfs/dbraw/zinc/64/03/19/1132640319.db2.gz FFSPJVPIYAPXMA-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM O=C([O-])c1cccc(Nc2ccc3nc(-c4ccccc4)nn3c2)c1 ZINC001175329843 1132640337 /nfs/dbraw/zinc/64/03/37/1132640337.db2.gz ABJVRQNWLWWUFS-UHFFFAOYSA-N -1 0 330.347 3.838 20 0 EHADRM COC(=O)c1sc2ncccc2c1Nc1cccc(C(=O)[O-])c1 ZINC001175328739 1132640373 /nfs/dbraw/zinc/64/03/73/1132640373.db2.gz OKBJWZDWAJGDEW-UHFFFAOYSA-N -1 0 328.349 3.525 20 0 EHADRM Cc1cnn(CC2CC2)c1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000066254730 1132675620 /nfs/dbraw/zinc/67/56/20/1132675620.db2.gz KSGDHYZEZBIGRJ-UHFFFAOYSA-N -1 0 347.484 3.601 20 0 EHADRM O=c1cc(CNc2ncc(Cl)c(-c3c[nH]c4ccccc43)n2)o[n-]1 ZINC001169482867 1132765734 /nfs/dbraw/zinc/76/57/34/1132765734.db2.gz VSIOJFYDWQLPCV-UHFFFAOYSA-N -1 0 341.758 3.584 20 0 EHADRM CC(=O)Oc1ccc(NC(=O)c2cccc(F)c2[O-])c2ccccc12 ZINC001169460182 1132766789 /nfs/dbraw/zinc/76/67/89/1132766789.db2.gz OYGTUFNBJUSTOV-UHFFFAOYSA-N -1 0 339.322 3.862 20 0 EHADRM CC(C)(C)OC(=O)NCc1ccc(Nc2cncc(C(=O)[O-])c2)cc1 ZINC001175842010 1132772463 /nfs/dbraw/zinc/77/24/63/1132772463.db2.gz KCRHURGTVXYDJA-UHFFFAOYSA-N -1 0 343.383 3.548 20 0 EHADRM O=C([O-])c1cncc(Nc2cnc3ccc(Br)cc3c2)c1 ZINC001175839871 1132772767 /nfs/dbraw/zinc/77/27/67/1132772767.db2.gz FDPZNWYEQKGBGU-UHFFFAOYSA-N -1 0 344.168 3.834 20 0 EHADRM Cc1cc(Nc2cncc(C(=O)[O-])c2)c(Br)cc1F ZINC001175843178 1132773329 /nfs/dbraw/zinc/77/33/29/1132773329.db2.gz JVBFJMHBCDOBOZ-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM Cc1ccc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)c(F)c1F ZINC001176093302 1132833963 /nfs/dbraw/zinc/83/39/63/1132833963.db2.gz NEMLTQFUVHTSJO-UHFFFAOYSA-N -1 0 333.743 3.917 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)N(CCC(=O)[O-])CC1CC1 ZINC000766914808 1132913184 /nfs/dbraw/zinc/91/31/84/1132913184.db2.gz XHMYNOVJSAGNNE-NSHDSACASA-N -1 0 341.860 3.534 20 0 EHADRM CC(C)(C)/C=C\C(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000766939449 1132919632 /nfs/dbraw/zinc/91/96/32/1132919632.db2.gz NWBNTUPOANYGSU-HJWRWDBZSA-N -1 0 343.345 3.721 20 0 EHADRM CCOc1cnc(Br)c(Nc2csc(C(=O)[O-])c2)c1 ZINC001176435563 1132928859 /nfs/dbraw/zinc/92/88/59/1132928859.db2.gz FEVZIFWRQCXTQX-UHFFFAOYSA-N -1 0 343.202 3.746 20 0 EHADRM COc1cc(Br)cc(Nc2csc(C(=O)[O-])c2)c1 ZINC001176438725 1132928934 /nfs/dbraw/zinc/92/89/34/1132928934.db2.gz AXBUFPWWBOLTEU-UHFFFAOYSA-N -1 0 328.187 3.961 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)C[C@H]2CCc3ccccc3C2)cc1 ZINC000767091454 1132948141 /nfs/dbraw/zinc/94/81/41/1132948141.db2.gz KSMOBEDWHQRZPD-RCLKMUNOSA-N -1 0 335.403 3.918 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)c1 ZINC000767179909 1132958602 /nfs/dbraw/zinc/95/86/02/1132958602.db2.gz JQGPCTHZAUXXKM-CABCVRRESA-N -1 0 333.746 3.920 20 0 EHADRM COCCCOc1ccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cc1 ZINC001176589566 1132962836 /nfs/dbraw/zinc/96/28/36/1132962836.db2.gz IFDWUMUZMYTWHK-UHFFFAOYSA-N -1 0 341.407 3.962 20 0 EHADRM Cc1c(Br)nccc1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176593376 1132963151 /nfs/dbraw/zinc/96/31/51/1132963151.db2.gz BDPYVYCYCUKYCH-QPJJXVBHSA-N -1 0 333.185 3.994 20 0 EHADRM CC(C)(C)c1nc2ccc(Nc3ccc(/C=C/C(=O)[O-])cc3)cn2n1 ZINC001176592918 1132963448 /nfs/dbraw/zinc/96/34/48/1132963448.db2.gz PQTMPUDYFBWDHX-IZZDOVSWSA-N -1 0 336.395 3.868 20 0 EHADRM COc1ccc(O)cc1Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1 ZINC001176579943 1132971281 /nfs/dbraw/zinc/97/12/81/1132971281.db2.gz DWQDPUIBRZYFBX-UHFFFAOYSA-N -1 0 345.376 3.544 20 0 EHADRM CS(=O)(=O)Nc1ccc2cc(-c3csc(C(=O)[O-])c3)ccc2c1 ZINC001206278984 1132982397 /nfs/dbraw/zinc/98/23/97/1132982397.db2.gz NSXAXLANBUBNHE-UHFFFAOYSA-N -1 0 347.417 3.638 20 0 EHADRM Cc1cnn(Cc2ccccc2F)c1Nc1ccc(C(=O)[O-])cc1 ZINC001176710851 1132995127 /nfs/dbraw/zinc/99/51/27/1132995127.db2.gz PMZSFWYSZGKTRZ-UHFFFAOYSA-N -1 0 325.343 3.821 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(F)c(Br)c2O)cc1 ZINC001176714353 1132995718 /nfs/dbraw/zinc/99/57/18/1132995718.db2.gz BQSCHJRIPPDKBW-UHFFFAOYSA-N -1 0 326.121 3.736 20 0 EHADRM CCc1cccc(CC)c1NC(=O)CSc1n[n-]c(=S)s1 ZINC001177343730 1133057034 /nfs/dbraw/zinc/05/70/34/1133057034.db2.gz GDBWQAVVMIUBGN-UHFFFAOYSA-N -1 0 339.511 3.682 20 0 EHADRM CC[C@H](NC(=O)NCc1ccc(Sc2ccccc2)cc1)C(=O)[O-] ZINC000780696621 1133082985 /nfs/dbraw/zinc/08/29/85/1133082985.db2.gz ZXIRXCZSRRRWPE-INIZCTEOSA-N -1 0 344.436 3.500 20 0 EHADRM CC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000780420571 1133083272 /nfs/dbraw/zinc/08/32/72/1133083272.db2.gz NVMCTNULWBCBCP-UHFFFAOYSA-N -1 0 340.404 3.547 20 0 EHADRM C[C@@H]1Cc2cc(NC(=O)c3c([O-])cnc4c(F)cccc43)ccc2O1 ZINC001179509721 1133257621 /nfs/dbraw/zinc/25/76/21/1133257621.db2.gz IZEGZCCHUAWVJO-SNVBAGLBSA-N -1 0 338.338 3.655 20 0 EHADRM O=C(Nc1ccnn1Cc1ccc(F)cc1)c1c([O-])cccc1Cl ZINC000769766363 1133338924 /nfs/dbraw/zinc/33/89/24/1133338924.db2.gz SHEUNFZOAYFAPW-UHFFFAOYSA-N -1 0 345.761 3.682 20 0 EHADRM Cc1cc(Br)ncc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000769927455 1133367857 /nfs/dbraw/zinc/36/78/57/1133367857.db2.gz WDWCCSLGDHHKNX-UHFFFAOYSA-N -1 0 341.592 3.764 20 0 EHADRM Cc1nc2c(F)cccc2cc1NC(=O)C1(C(=O)[O-])CCCCC1 ZINC001180433338 1133369643 /nfs/dbraw/zinc/36/96/43/1133369643.db2.gz CAXKXAUHGCGQTO-UHFFFAOYSA-N -1 0 330.359 3.656 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(SC(F)F)nc2)cc1C ZINC000771131646 1133515439 /nfs/dbraw/zinc/51/54/39/1133515439.db2.gz QQWXROPPPREJTA-UHFFFAOYSA-N -1 0 344.408 3.814 20 0 EHADRM CCCC(=CC(=O)[N-]S(=O)(=O)c1ccccc1Cl)CCC ZINC000771259673 1133532649 /nfs/dbraw/zinc/53/26/49/1133532649.db2.gz WZBHGPCHIBWBGR-UHFFFAOYSA-N -1 0 329.849 3.672 20 0 EHADRM CC(=O)SC[C@@H](C)C(=O)Nc1cc(Cl)c(C)c(Cl)c1[O-] ZINC001183132740 1133767648 /nfs/dbraw/zinc/76/76/48/1133767648.db2.gz PCTBTGJHQOYHES-ZCFIWIBFSA-N -1 0 336.240 3.862 20 0 EHADRM Cn1c(NC(=O)c2ccc(Cl)cc2[O-])nc2c1cccc2Cl ZINC001183142892 1133770530 /nfs/dbraw/zinc/77/05/30/1133770530.db2.gz JEHHNZHNOVEAOS-UHFFFAOYSA-N -1 0 336.178 3.838 20 0 EHADRM COc1ccc(-n2cccc2)c(NC(=O)Cc2ccc([S-])cc2)c1 ZINC001183189357 1133776423 /nfs/dbraw/zinc/77/64/23/1133776423.db2.gz RMYSUJIXAKCEBG-UHFFFAOYSA-N -1 0 338.432 3.956 20 0 EHADRM C[C@H](NC(=O)Cc1ccc([S-])cc1)c1nc(-c2ccccc2)c[nH]1 ZINC001183189730 1133777804 /nfs/dbraw/zinc/77/78/04/1133777804.db2.gz ONEUPFKXRRRPNF-ZDUSSCGKSA-N -1 0 337.448 3.785 20 0 EHADRM COc1ccc(C2(C(=O)Nc3ccccc3[S-])CC2)c(OC)c1 ZINC001184141670 1133897626 /nfs/dbraw/zinc/89/76/26/1133897626.db2.gz NTURENZMJWHHLX-UHFFFAOYSA-N -1 0 329.421 3.663 20 0 EHADRM O=C(C=C([O-])c1ccc(Cl)cc1)CCC(=O)NC1(CC2CC2)CC1 ZINC001184118852 1133900758 /nfs/dbraw/zinc/90/07/58/1133900758.db2.gz OSOXOTITOZQKOM-UHFFFAOYSA-N -1 0 347.842 3.711 20 0 EHADRM O=C(NC[C@@H]1C[C@H]1C(F)(F)F)c1c([O-])cc(Cl)cc1Cl ZINC001184246611 1133914891 /nfs/dbraw/zinc/91/48/91/1133914891.db2.gz KINGOFDFNIIMTG-CAHLUQPWSA-N -1 0 328.117 3.627 20 0 EHADRM CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000787005070 1133932650 /nfs/dbraw/zinc/93/26/50/1133932650.db2.gz MJUZOBJGRZCKGK-GFCCVEGCSA-N -1 0 349.855 3.642 20 0 EHADRM C[C@]12C[C@@H]3C[C@](C(=O)Nc4cc(=O)[n-]c(Cl)n4)(C1)C[C@@](C)(C3)C2 ZINC001184495270 1133941479 /nfs/dbraw/zinc/94/14/79/1133941479.db2.gz OQODITWIMAFJOK-DUTSYADMSA-N -1 0 335.835 3.771 20 0 EHADRM CSc1cc(C)nc(SC)c1[N-]C(=O)c1cc(C(C)=O)ccn1 ZINC001184819355 1133994771 /nfs/dbraw/zinc/99/47/71/1133994771.db2.gz RPQAWUCRZNYUTQ-UHFFFAOYSA-N -1 0 347.465 3.684 20 0 EHADRM O=S(=O)(c1cc(C(F)(F)F)ccc1[O-])N(C1CC1)C1CCCC1 ZINC001185012735 1134014264 /nfs/dbraw/zinc/01/42/64/1134014264.db2.gz ZMCKZKKJKORHFQ-UHFFFAOYSA-N -1 0 349.374 3.507 20 0 EHADRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)Cc2cc(F)cc(F)c2)on1 ZINC001185086266 1134026783 /nfs/dbraw/zinc/02/67/83/1134026783.db2.gz YIUGLLAXCZJNFS-SNVBAGLBSA-N -1 0 344.383 3.798 20 0 EHADRM O=C(Nc1c(Cl)ccc([O-])c1Cl)C12CCC(O)(CC1)CC2 ZINC001185277960 1134061363 /nfs/dbraw/zinc/06/13/63/1134061363.db2.gz FOYHWQULHVAUEH-UHFFFAOYSA-N -1 0 330.211 3.723 20 0 EHADRM O=S(=O)([N-]c1cc(F)ccc1OC(F)(F)F)c1ccsc1 ZINC001185392212 1134078605 /nfs/dbraw/zinc/07/86/05/1134078605.db2.gz XEDCSBSJWRBRFT-UHFFFAOYSA-N -1 0 341.307 3.587 20 0 EHADRM Cn1ccc2cc(CNC(=O)C=C([O-])c3ccccc3Cl)ccc21 ZINC001185427682 1134083500 /nfs/dbraw/zinc/08/35/00/1134083500.db2.gz SUDVVQMYXNMAIA-UHFFFAOYSA-N -1 0 340.810 3.721 20 0 EHADRM Cc1ccc(CCNC(=O)C=C([O-])c2ccccc2Cl)c(C)c1 ZINC001185435442 1134086218 /nfs/dbraw/zinc/08/62/18/1134086218.db2.gz IOAQMYGVFJHPGQ-UHFFFAOYSA-N -1 0 329.827 3.889 20 0 EHADRM O=S(=O)([N-]c1ccc2cnoc2c1)c1cc2ccccc2s1 ZINC001185462934 1134092050 /nfs/dbraw/zinc/09/20/50/1134092050.db2.gz QDBSDBIWHLSNOU-UHFFFAOYSA-N -1 0 330.390 3.843 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)no2)ccc1Cl ZINC001185494690 1134097567 /nfs/dbraw/zinc/09/75/67/1134097567.db2.gz OVGJZQNQRUKATI-UHFFFAOYSA-N -1 0 328.821 3.735 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)cnc2C)ccc1Cl ZINC001185494262 1134097836 /nfs/dbraw/zinc/09/78/36/1134097836.db2.gz CTTOHCIAAIHXDL-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM Cc1cc(Cl)nc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)c1 ZINC001185497511 1134098699 /nfs/dbraw/zinc/09/86/99/1134098699.db2.gz XXILUFSFSPJMSK-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM CC(C)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC001185687710 1134120096 /nfs/dbraw/zinc/12/00/96/1134120096.db2.gz WVZZQCOWRKJBSJ-UHFFFAOYSA-N -1 0 328.796 3.798 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1cnc2ccc(F)cc2c1 ZINC001185801607 1134135629 /nfs/dbraw/zinc/13/56/29/1134135629.db2.gz OIXZICFXSKEJQK-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM Cc1ccnc2c([N-]S(=O)(=O)c3cccc(F)c3C)cccc12 ZINC001185836551 1134139230 /nfs/dbraw/zinc/13/92/30/1134139230.db2.gz PVQAXFXJPYYELH-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM O=C([N-]OC1CCOCC1)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000772725590 1134187576 /nfs/dbraw/zinc/18/75/76/1134187576.db2.gz QAYYMPAUFXNOIB-UHFFFAOYSA-N -1 0 344.238 3.642 20 0 EHADRM CSCCCCCCNS(=O)(=O)c1cc(C)c(Cl)s1 ZINC000788906752 1134191914 /nfs/dbraw/zinc/19/19/14/1134191914.db2.gz OEZOBPHSTRZFOV-UHFFFAOYSA-N -1 0 341.951 3.912 20 0 EHADRM O=S(=O)([N-]c1ncc(Cl)cc1F)c1csc2ccccc21 ZINC001186452664 1134214096 /nfs/dbraw/zinc/21/40/96/1134214096.db2.gz TYIPXEANBHBYAP-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM C[C@@H](CCOC(=O)c1cc(F)c([O-])c(F)c1)OCc1ccccc1 ZINC000789063432 1134214150 /nfs/dbraw/zinc/21/41/50/1134214150.db2.gz MLQUMFLRSZODRG-LBPRGKRZSA-N -1 0 336.334 3.823 20 0 EHADRM Cc1cc(F)cc([N-]S(=O)(=O)c2csc3ccccc32)c1O ZINC001186495633 1134222547 /nfs/dbraw/zinc/22/25/47/1134222547.db2.gz SQOUYHWRFBMKNO-UHFFFAOYSA-N -1 0 337.397 3.855 20 0 EHADRM O=S(=O)([N-]c1ccc(F)c(F)c1O)c1csc2ccccc21 ZINC001186497715 1134222653 /nfs/dbraw/zinc/22/26/53/1134222653.db2.gz DSIXLUAZJAGVDV-UHFFFAOYSA-N -1 0 341.360 3.686 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)OCC2)c1csc2ccccc21 ZINC001186498458 1134222877 /nfs/dbraw/zinc/22/28/77/1134222877.db2.gz PEEZFZASJVYCGQ-UHFFFAOYSA-N -1 0 331.418 3.637 20 0 EHADRM O=S(=O)([N-]c1cccc2nccnc12)c1csc2ccccc21 ZINC001186495664 1134223007 /nfs/dbraw/zinc/22/30/07/1134223007.db2.gz UMVLBEHUOTTZHY-UHFFFAOYSA-N -1 0 341.417 3.645 20 0 EHADRM O=S(=O)([N-]c1cc2ncccc2c(C(F)(F)F)c1)c1ccco1 ZINC001186858809 1134269689 /nfs/dbraw/zinc/26/96/89/1134269689.db2.gz KYOWWKGEDCMJQF-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])c1ccc(NC(=O)NCC(F)(F)F)cc1 ZINC001187090960 1134298220 /nfs/dbraw/zinc/29/82/20/1134298220.db2.gz KRUSWEUNBUELMZ-NSHDSACASA-N -1 0 332.322 3.585 20 0 EHADRM CC(C)Cc1cc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)on1 ZINC001187180505 1134305639 /nfs/dbraw/zinc/30/56/39/1134305639.db2.gz WKJWKSMVFYXHKH-UHFFFAOYSA-N -1 0 340.470 3.614 20 0 EHADRM Cc1oncc1S(=O)(=O)[N-]c1ccc(-c2ccccc2C)cc1 ZINC001187376064 1134329565 /nfs/dbraw/zinc/32/95/65/1134329565.db2.gz JOIZEJDLEAFTEA-UHFFFAOYSA-N -1 0 328.393 3.759 20 0 EHADRM O=C([N-]OCc1ccc(C(F)(F)F)cc1)[C@H]1CC(=O)c2ccccc21 ZINC000789816694 1134339479 /nfs/dbraw/zinc/33/94/79/1134339479.db2.gz DQSYGDXIWQDBCE-HNNXBMFYSA-N -1 0 349.308 3.623 20 0 EHADRM O=C(Nc1ccc(Cl)nc1)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000789887911 1134340716 /nfs/dbraw/zinc/34/07/16/1134340716.db2.gz KSAKSNNLVBEQGZ-UHFFFAOYSA-N -1 0 349.177 3.532 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC/C(C)=C\c2ccccc2)c1OC ZINC000789901584 1134347663 /nfs/dbraw/zinc/34/76/63/1134347663.db2.gz BBXZZWPVRWVVKF-LCYFTJDESA-N -1 0 327.380 3.917 20 0 EHADRM CC[C@@H]([N-]S(=O)(=O)CCc1cccc2ccccc21)C(F)(F)F ZINC001187661409 1134362856 /nfs/dbraw/zinc/36/28/56/1134362856.db2.gz IKLUKJHOMFWPAG-OAHLLOKOSA-N -1 0 345.386 3.643 20 0 EHADRM COc1ccccc1Oc1ccc(S(=O)(=O)[N-]c2ccco2)cc1 ZINC001187809100 1134384823 /nfs/dbraw/zinc/38/48/23/1134384823.db2.gz ULWZPZDVJKSGPL-UHFFFAOYSA-N -1 0 345.376 3.881 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)c(F)c(Cl)c1F)c1nccs1 ZINC001187894359 1134393867 /nfs/dbraw/zinc/39/38/67/1134393867.db2.gz ISLWUBBPEBXYPG-UHFFFAOYSA-N -1 0 345.179 3.529 20 0 EHADRM CCC(CC)Oc1ccc([N-]S(=O)(=O)c2nccs2)cc1 ZINC001187898940 1134394065 /nfs/dbraw/zinc/39/40/65/1134394065.db2.gz CFKGXIQCIUBMCA-UHFFFAOYSA-N -1 0 326.443 3.511 20 0 EHADRM Cc1cc(C)c(O)c([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c1 ZINC001188068673 1134423436 /nfs/dbraw/zinc/42/34/36/1134423436.db2.gz GYNJPDSZTMDWJP-UHFFFAOYSA-N -1 0 347.223 3.512 20 0 EHADRM CCc1cc(C2CC2)nc([N-]S(=O)(=O)/C=C/c2ccc(C)cc2)n1 ZINC000790648465 1134451758 /nfs/dbraw/zinc/45/17/58/1134451758.db2.gz ZGCGIUCPJONJEH-ZHACJKMWSA-N -1 0 343.452 3.637 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc([O-])c(C(F)(F)F)c2)CCC1(F)F ZINC001188572085 1134479329 /nfs/dbraw/zinc/47/93/29/1134479329.db2.gz KGXSVIPWKJCRDD-VIFPVBQESA-N -1 0 337.288 3.918 20 0 EHADRM CC(C)(C)COc1c(F)cccc1[N-]S(=O)(=O)c1ccoc1 ZINC001188614344 1134482356 /nfs/dbraw/zinc/48/23/56/1134482356.db2.gz UWDQHPYLPIUNKW-UHFFFAOYSA-N -1 0 327.377 3.644 20 0 EHADRM O=S(=O)([N-]c1cnc2cc(C(F)(F)F)ccc2c1)c1ccoc1 ZINC001188580280 1134483731 /nfs/dbraw/zinc/48/37/31/1134483731.db2.gz WQXKBTLDGQCONV-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM O=C(c1ccncc1[O-])N1C[C@H]2C[C@@]2(c2ccc(Cl)c(Cl)c2)C1 ZINC001188629220 1134490383 /nfs/dbraw/zinc/49/03/83/1134490383.db2.gz DHNUFOAVJLGMOU-DIFFPNOSSA-N -1 0 349.217 3.508 20 0 EHADRM O=S(=O)(CCc1ccc(Cl)cc1)Nc1cc(F)cc(F)c1F ZINC001189103874 1134545040 /nfs/dbraw/zinc/54/50/40/1134545040.db2.gz NDFMGJGMPUTTNP-UHFFFAOYSA-N -1 0 349.761 3.742 20 0 EHADRM O=S(=O)(Cc1ccc(F)c(F)c1)Nc1cc(Cl)ccc1F ZINC001189311154 1134568413 /nfs/dbraw/zinc/56/84/13/1134568413.db2.gz PMHLHIWAOUZENF-UHFFFAOYSA-N -1 0 335.734 3.699 20 0 EHADRM O=S(=O)(Cc1cccc(F)c1F)[N-]c1cccc2ncsc21 ZINC001189453247 1134589659 /nfs/dbraw/zinc/58/96/59/1134589659.db2.gz HEAXLDKWOVVGJF-UHFFFAOYSA-N -1 0 340.376 3.516 20 0 EHADRM COc1ccc(Cn2nccc2Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC001203286445 1134635954 /nfs/dbraw/zinc/63/59/54/1134635954.db2.gz RTBODRGWKLCLPE-UHFFFAOYSA-N -1 0 341.342 3.521 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(OCC(F)(F)F)nc2)c(F)c1 ZINC001203286547 1134638926 /nfs/dbraw/zinc/63/89/26/1134638926.db2.gz JIVQTISIVKBMLO-UHFFFAOYSA-N -1 0 330.237 3.604 20 0 EHADRM O=C(Nc1ccccc1[S-])c1nc2cc(Br)ccc2[nH]1 ZINC001151826822 1134642830 /nfs/dbraw/zinc/64/28/30/1134642830.db2.gz KQXGYYXEUIYXAI-UHFFFAOYSA-N -1 0 348.225 3.866 20 0 EHADRM CCCc1nnsc1C(=O)Nc1ccc2[n-]c(=S)sc2c1 ZINC001190165364 1134666086 /nfs/dbraw/zinc/66/60/86/1134666086.db2.gz AKJMXWWWLDHMFH-UHFFFAOYSA-N -1 0 336.467 3.641 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccccc2)cc1)c1ncc(F)cc1F ZINC001190173120 1134666880 /nfs/dbraw/zinc/66/68/80/1134666880.db2.gz ISPCJPUFEXROAR-UHFFFAOYSA-N -1 0 346.358 3.828 20 0 EHADRM CCC[C@@H]([N-]S(=O)(=O)c1occc1Br)C(C)(C)C ZINC001190437084 1134699852 /nfs/dbraw/zinc/69/98/52/1134699852.db2.gz BSMNOXWWGOFEAC-SNVBAGLBSA-N -1 0 338.267 3.535 20 0 EHADRM Cc1cccc(C)c1Oc1ccc([N-]S(=O)(=O)c2ncc[nH]2)cc1 ZINC001190736245 1134744194 /nfs/dbraw/zinc/74/41/94/1134744194.db2.gz BZFZOBBXGWKZPY-UHFFFAOYSA-N -1 0 343.408 3.620 20 0 EHADRM CCOc1c(F)cc(C(=O)Nc2ccc3[nH][nH]c(=O)c3c2)cc1Cl ZINC001190738239 1134744344 /nfs/dbraw/zinc/74/43/44/1134744344.db2.gz KIXVGZPLPHUCCY-UHFFFAOYSA-N -1 0 349.749 3.712 20 0 EHADRM O=S(=O)([N-]c1ccccc1-c1ccc(Cl)cn1)c1ccncc1 ZINC001190903573 1134768216 /nfs/dbraw/zinc/76/82/16/1134768216.db2.gz GSMNDBMMUYVURV-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM COc1cccc(-n2nc(C)cc2Nc2ccc(C(=O)[O-])cc2F)c1 ZINC001203288426 1134830962 /nfs/dbraw/zinc/83/09/62/1134830962.db2.gz RTXWFUXVNZQYHP-UHFFFAOYSA-N -1 0 341.342 3.770 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2nccc3cnccc32)cc1 ZINC001191234122 1134832330 /nfs/dbraw/zinc/83/23/30/1134832330.db2.gz YXAJQPBNTHFOFO-UHFFFAOYSA-N -1 0 341.436 3.773 20 0 EHADRM COc1cccc([N-]S(=O)(=O)CC2CCCC2)c1C(F)(F)F ZINC001191526608 1134880544 /nfs/dbraw/zinc/88/05/44/1134880544.db2.gz HQPOQJYPWUAHFB-UHFFFAOYSA-N -1 0 337.363 3.646 20 0 EHADRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cccc2cnoc21 ZINC001191702251 1134901445 /nfs/dbraw/zinc/90/14/45/1134901445.db2.gz NQHXULZIPAIZIU-UHFFFAOYSA-N -1 0 346.408 3.761 20 0 EHADRM Cc1cnc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2Cl)c(F)c1 ZINC001191731579 1134914857 /nfs/dbraw/zinc/91/48/57/1134914857.db2.gz UHZUPTWBEMETKY-UHFFFAOYSA-N -1 0 349.214 3.945 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(OC)ccc1C ZINC001191779941 1134920865 /nfs/dbraw/zinc/92/08/65/1134920865.db2.gz KNMVDKCVHHUDCA-UHFFFAOYSA-N -1 0 335.425 3.512 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)c2cc3cccc(C)c3o2)c(C)s1 ZINC000747114887 1134922764 /nfs/dbraw/zinc/92/27/64/1134922764.db2.gz QYEHPFYNYDEAEM-UHFFFAOYSA-N -1 0 349.433 3.538 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2sncc2c1 ZINC001191828785 1134932894 /nfs/dbraw/zinc/93/28/94/1134932894.db2.gz PZBOHLMXEGAJPY-UHFFFAOYSA-N -1 0 348.449 3.804 20 0 EHADRM O=C([N-]c1cc(C2CCCC2)no1)c1nc(Cc2ccccc2)no1 ZINC001192262855 1134989986 /nfs/dbraw/zinc/98/99/86/1134989986.db2.gz UANPNAGBECXRMV-UHFFFAOYSA-N -1 0 338.367 3.558 20 0 EHADRM Cc1cc(Cl)ncc1S(=O)(=O)Nc1c([S-])cccc1Cl ZINC001192359822 1135006384 /nfs/dbraw/zinc/00/63/84/1135006384.db2.gz IVUXNMOFHPVWER-UHFFFAOYSA-N -1 0 349.264 3.786 20 0 EHADRM CC(=O)N1CCCc2ccc(Nc3ccc(C(=O)[O-])cc3F)cc21 ZINC001203293019 1135007137 /nfs/dbraw/zinc/00/71/37/1135007137.db2.gz ASDSFAOTJONUER-UHFFFAOYSA-N -1 0 328.343 3.567 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)ns2)cnc1Cl ZINC001192532771 1135032486 /nfs/dbraw/zinc/03/24/86/1135032486.db2.gz AWXJFSXHLTWADR-UHFFFAOYSA-N -1 0 345.877 3.598 20 0 EHADRM O=C(Cc1csc(-c2ccc(Cl)cc2)n1)[N-]OC/C=C\Cl ZINC000794289190 1135037554 /nfs/dbraw/zinc/03/75/54/1135037554.db2.gz SDDVZKARIPRMQD-BHQIHCQQSA-N -1 0 343.235 3.806 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccnc(C(C)(C)C)c2)c1 ZINC001192766111 1135051847 /nfs/dbraw/zinc/05/18/47/1135051847.db2.gz UFGGNGFVJZXWKE-UHFFFAOYSA-N -1 0 348.468 3.751 20 0 EHADRM CCN(C(=O)c1ccc(F)c(F)c1[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC001192784458 1135054397 /nfs/dbraw/zinc/05/43/97/1135054397.db2.gz MADVXBONTSZMIW-LBPRGKRZSA-N -1 0 349.377 3.772 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)CCCC3)c1 ZINC001192816347 1135057883 /nfs/dbraw/zinc/05/78/83/1135057883.db2.gz OSROSNSSLFJYOA-UHFFFAOYSA-N -1 0 345.464 3.937 20 0 EHADRM O=C(c1ccc([O-])c(F)c1F)N1CCC[C@H](Cc2ccccc2)C1 ZINC001192833198 1135060756 /nfs/dbraw/zinc/06/07/56/1135060756.db2.gz NQNSHNCFMOIPLN-CQSZACIVSA-N -1 0 331.362 3.765 20 0 EHADRM Cc1nc2c(F)cccc2cc1NC(=O)c1cc(F)c([O-])cc1F ZINC001192859370 1135066980 /nfs/dbraw/zinc/06/69/80/1135066980.db2.gz JARCOLYNLUWOGX-UHFFFAOYSA-N -1 0 332.281 3.918 20 0 EHADRM O=C(Nc1ccc2ccncc2c1)c1cc(Cl)nc(Cl)c1[O-] ZINC001193089176 1135098910 /nfs/dbraw/zinc/09/89/10/1135098910.db2.gz IIMIPRWJKRARKQ-UHFFFAOYSA-N -1 0 334.162 3.895 20 0 EHADRM CCCCOc1c(F)c(F)ccc1[N-]S(=O)(=O)CC1CCC1 ZINC001193514768 1135149038 /nfs/dbraw/zinc/14/90/38/1135149038.db2.gz GBCZATJNWNQFEE-UHFFFAOYSA-N -1 0 333.400 3.686 20 0 EHADRM COc1ncc([N-]S(=O)(=O)c2ccc(C)c3ccccc32)cc1C ZINC001193833803 1135190875 /nfs/dbraw/zinc/19/08/75/1135190875.db2.gz RMWYLFREESQOKG-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c3ccccc32)n1 ZINC001193834952 1135191865 /nfs/dbraw/zinc/19/18/65/1135191865.db2.gz XFQIPIUMQZODFG-UHFFFAOYSA-N -1 0 340.404 3.547 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc3ccccn3n2)c2ccccc12 ZINC001193835057 1135191991 /nfs/dbraw/zinc/19/19/91/1135191991.db2.gz ZWWWCACGGBUQCA-UHFFFAOYSA-N -1 0 337.404 3.597 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2O)c2ccccc12 ZINC001193865287 1135198622 /nfs/dbraw/zinc/19/86/22/1135198622.db2.gz XHOYJFZUMGXABV-UHFFFAOYSA-N -1 0 349.358 3.933 20 0 EHADRM COCCCO[N-]C(=O)[C@@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC000805042297 1135228581 /nfs/dbraw/zinc/22/85/81/1135228581.db2.gz YKGARQHYHDQFHS-KRWDZBQOSA-N -1 0 349.814 3.544 20 0 EHADRM CCCOC(=O)Nc1c(CC(=O)[O-])cccc1C(=O)c1ccccc1 ZINC001194122252 1135229272 /nfs/dbraw/zinc/22/92/72/1135229272.db2.gz BQUQPVSFPVIONH-UHFFFAOYSA-N -1 0 341.363 3.503 20 0 EHADRM O=S(=O)(Cc1noc2ccccc21)[N-]c1ccccc1C(F)F ZINC001194093024 1135231704 /nfs/dbraw/zinc/23/17/04/1135231704.db2.gz PVPYIQGEGXKUHC-UHFFFAOYSA-N -1 0 338.335 3.707 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc3c(Cl)cccc3c2)cn1 ZINC001194216360 1135245092 /nfs/dbraw/zinc/24/50/92/1135245092.db2.gz XYRCGIDCRVZRFL-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1cncc([N-]S(=O)(=O)c2ccc3c(Cl)cccc3c2)c1 ZINC001194216693 1135245266 /nfs/dbraw/zinc/24/52/66/1135245266.db2.gz QBIWSRSEIINQCV-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)N1CCc2ccccc2[C@H]1C ZINC001194260661 1135251386 /nfs/dbraw/zinc/25/13/86/1135251386.db2.gz ORRJKBOODLRKQY-OAHLLOKOSA-N -1 0 347.418 3.646 20 0 EHADRM O=C(C[C@@H](O)c1ccc(Cl)cc1)Nc1cc(Cl)c([O-])cc1F ZINC000805254616 1135253948 /nfs/dbraw/zinc/25/39/48/1135253948.db2.gz BJOBGWMQMVFDRW-CYBMUJFWSA-N -1 0 344.169 3.900 20 0 EHADRM O=S(=O)([N-]c1cccc(O)c1)c1cccc2c(Cl)cccc21 ZINC001194403003 1135264798 /nfs/dbraw/zinc/26/47/98/1135264798.db2.gz FLHXCVIYHLSZMG-UHFFFAOYSA-N -1 0 333.796 4.000 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cccc3c(Cl)cccc32)nc(C)n1 ZINC001194403108 1135265142 /nfs/dbraw/zinc/26/51/42/1135265142.db2.gz HYFSSTOMSZFEAS-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2cccc3c(Cl)nccc32)cn1 ZINC001194464776 1135271010 /nfs/dbraw/zinc/27/10/10/1135271010.db2.gz PQWWVFLZVWTTQO-UHFFFAOYSA-N -1 0 347.827 3.646 20 0 EHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1nc2cc(Cl)ccc2o1 ZINC001194603493 1135291213 /nfs/dbraw/zinc/29/12/13/1135291213.db2.gz XERMRSWXFBJVTC-UHFFFAOYSA-N -1 0 336.800 3.899 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)CCCCC(C)(C)C)c1 ZINC000805842383 1135344489 /nfs/dbraw/zinc/34/44/89/1135344489.db2.gz JEZAVMBHZQVREZ-UHFFFAOYSA-N -1 0 325.474 3.715 20 0 EHADRM Cc1ccc2sc([N-]S(=O)(=O)CC[Si](C)(C)C)nc2c1 ZINC001195037354 1135357307 /nfs/dbraw/zinc/35/73/07/1135357307.db2.gz JFOZPOFEZHHIQF-UHFFFAOYSA-N -1 0 328.535 3.685 20 0 EHADRM COc1cc(NC(=O)c2cccc(Cl)c2[O-])cc(Cl)c1OC ZINC001130498655 1135381760 /nfs/dbraw/zinc/38/17/60/1135381760.db2.gz RZQNIOCGWDJWFO-UHFFFAOYSA-N -1 0 342.178 3.969 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cc(CC(C)C)no1 ZINC001195271704 1135402415 /nfs/dbraw/zinc/40/24/15/1135402415.db2.gz PITZIIHEWXCTGI-UHFFFAOYSA-N -1 0 328.821 3.636 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2c[nH]c3ccccc23)c2cccnc12 ZINC001195311234 1135411644 /nfs/dbraw/zinc/41/16/44/1135411644.db2.gz SDVICZHDNVEDSB-UHFFFAOYSA-N -1 0 337.404 3.825 20 0 EHADRM O=C(NC[C@H]1CCCC(F)(F)C1)c1c([O-])c(F)c(F)c(F)c1F ZINC001195313154 1135411878 /nfs/dbraw/zinc/41/18/78/1135411878.db2.gz ZWQUMPGBZZNKKE-LURJTMIESA-N -1 0 341.251 3.504 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(CO)c(Cl)c1 ZINC001195316425 1135412557 /nfs/dbraw/zinc/41/25/57/1135412557.db2.gz BLIDQRJEJKTGSO-UHFFFAOYSA-N -1 0 346.235 3.595 20 0 EHADRM COc1cc(F)cc([N-]S(=O)(=O)c2c(C)cccc2Cl)c1 ZINC001195317360 1135413263 /nfs/dbraw/zinc/41/32/63/1135413263.db2.gz XLIUGTGEXHXUQK-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM O=S(=O)(NCc1cccc(-c2cccs2)c1)c1ccc(O)cc1 ZINC001195824861 1135477127 /nfs/dbraw/zinc/47/71/27/1135477127.db2.gz AOCPVXMYNWMNIW-UHFFFAOYSA-N -1 0 345.445 3.599 20 0 EHADRM COC(=O)Nc1cc(NC(=O)c2cccc(Cl)c2[O-])ccc1F ZINC000775701649 1135539175 /nfs/dbraw/zinc/53/91/75/1135539175.db2.gz UZFZGKAQNQTNEQ-UHFFFAOYSA-N -1 0 338.722 3.615 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)no2)c(F)c1 ZINC001196347072 1135549342 /nfs/dbraw/zinc/54/93/42/1135549342.db2.gz OFKQRZCQVXLERD-UHFFFAOYSA-N -1 0 338.404 3.971 20 0 EHADRM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(C)cc2F)on1 ZINC001196347450 1135549706 /nfs/dbraw/zinc/54/97/06/1135549706.db2.gz WCOKZTNZEVDMSD-NSHDSACASA-N -1 0 326.393 3.827 20 0 EHADRM CCCCOc1cc([N-]S(=O)(=O)c2ccc(C)cc2F)ccn1 ZINC001196353399 1135550201 /nfs/dbraw/zinc/55/02/01/1135550201.db2.gz PZWBKBNMPQXSBG-UHFFFAOYSA-N -1 0 338.404 3.509 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1Cc2cccc(Cl)c2C1 ZINC000807815277 1135572220 /nfs/dbraw/zinc/57/22/20/1135572220.db2.gz GVRSAOKAKINPTI-UHFFFAOYSA-N -1 0 330.796 3.926 20 0 EHADRM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1n[n-]c2ccccc2c1=O ZINC000807885099 1135583126 /nfs/dbraw/zinc/58/31/26/1135583126.db2.gz DIPMBNJHUGLMJC-CHWSQXEVSA-N -1 0 327.428 3.622 20 0 EHADRM CCc1cccc(CC)c1[N-]S(=O)(=O)c1cc(OC)ccc1F ZINC001196762687 1135603813 /nfs/dbraw/zinc/60/38/13/1135603813.db2.gz FAHJSPIYIXQVDX-UHFFFAOYSA-N -1 0 337.416 3.760 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N2CC[C@@H](c3ccccc3)C2)cc1 ZINC001197085256 1135643854 /nfs/dbraw/zinc/64/38/54/1135643854.db2.gz MQPVRTOOOHGLAH-OAHLLOKOSA-N -1 0 326.421 3.571 20 0 EHADRM C[C@@H]1C[C@H](NC(=S)Nc2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC001197132440 1135648004 /nfs/dbraw/zinc/64/80/04/1135648004.db2.gz WPEAWBMLVSTYJL-BZNIZROVSA-N -1 0 326.421 3.920 20 0 EHADRM C[C@@H]1C[C@@H](NC(=S)Nc2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC001197132436 1135648012 /nfs/dbraw/zinc/64/80/12/1135648012.db2.gz WPEAWBMLVSTYJL-BDJLRTHQSA-N -1 0 326.421 3.920 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NC2(c3ccc(F)cc3F)CC2)cc1 ZINC001197136400 1135649008 /nfs/dbraw/zinc/64/90/08/1135649008.db2.gz AUOBGLVGJZOUOJ-UHFFFAOYSA-N -1 0 348.374 3.639 20 0 EHADRM CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2cccc(Cl)c2[O-])C12CCC2 ZINC001131235301 1135649329 /nfs/dbraw/zinc/64/93/29/1135649329.db2.gz KEGFBIXIPJWODC-UONOGXRCSA-N -1 0 337.847 3.902 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N[C@H](c2cccc(F)c2)C2CC2)cc1 ZINC001197140663 1135649499 /nfs/dbraw/zinc/64/94/99/1135649499.db2.gz WKNIWMNGIXGHSU-INIZCTEOSA-N -1 0 344.411 3.962 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2c(F)ccc(F)c2F)cc1 ZINC001197107156 1135650085 /nfs/dbraw/zinc/65/00/85/1135650085.db2.gz IMZFIUREYVCILF-UHFFFAOYSA-N -1 0 326.299 3.611 20 0 EHADRM Cc1ccc(NC(=S)Nc2ccc(C(=O)[O-])cc2)c(Cl)c1O ZINC001197112654 1135650795 /nfs/dbraw/zinc/65/07/95/1135650795.db2.gz VVBFWSYHWVEYCQ-UHFFFAOYSA-N -1 0 336.800 3.861 20 0 EHADRM CC(C)Oc1cccc(NC(=S)Nc2ccc(C(=O)[O-])cc2)c1 ZINC001197113515 1135651347 /nfs/dbraw/zinc/65/13/47/1135651347.db2.gz SNZWANGIIMRTAY-UHFFFAOYSA-N -1 0 330.409 3.981 20 0 EHADRM Cc1ccccc1[C@@H]1CN(C(=O)c2cccc(Cl)c2[O-])[C@@H](C)CO1 ZINC000775759090 1135651574 /nfs/dbraw/zinc/65/15/74/1135651574.db2.gz VYTLRVCESKPKIO-GUYCJALGSA-N -1 0 345.826 3.956 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N[C@@H]2CCc3c2c(F)ccc3F)cc1 ZINC001197148422 1135654112 /nfs/dbraw/zinc/65/41/12/1135654112.db2.gz WTDCMFWZWPPYGS-CQSZACIVSA-N -1 0 348.374 3.637 20 0 EHADRM O=c1cc(NC(=S)Nc2ccccc2C(F)(F)F)nc(Cl)[n-]1 ZINC001197232324 1135658512 /nfs/dbraw/zinc/65/85/12/1135658512.db2.gz NUPFDJNATAAIPU-UHFFFAOYSA-N -1 0 348.737 3.663 20 0 EHADRM CCC(CC)(NC(=O)/C=C(\C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000808519753 1135686301 /nfs/dbraw/zinc/68/63/01/1135686301.db2.gz ZRUOAYSZMUUBFX-ZHACJKMWSA-N -1 0 343.345 3.868 20 0 EHADRM S=c1[nH]nc(Cc2cccs2)n1C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000102885656 1135688466 /nfs/dbraw/zinc/68/84/66/1135688466.db2.gz VUYIAQCIIGHJKR-AWEZNQCLSA-N -1 0 334.514 3.815 20 0 EHADRM CCOCCC1(CNC(=O)c2cccc(Cl)c2[O-])CCCC1 ZINC000775774073 1135695095 /nfs/dbraw/zinc/69/50/95/1135695095.db2.gz LBXYASLRUHZOIJ-UHFFFAOYSA-N -1 0 325.836 3.762 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccccc2Br)ccc1F ZINC000037402708 1135702383 /nfs/dbraw/zinc/70/23/83/1135702383.db2.gz IOLJRXLXTANZHF-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM Cc1nc([N-]S(=O)(=O)Cc2cccc(Cl)c2Cl)cs1 ZINC001197727642 1135732016 /nfs/dbraw/zinc/73/20/16/1135732016.db2.gz OODSIVMDQQFXEL-UHFFFAOYSA-N -1 0 337.253 3.700 20 0 EHADRM CC1(CC(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)CCCC1 ZINC000808977072 1135762029 /nfs/dbraw/zinc/76/20/29/1135762029.db2.gz ROTCPOJDOAEUGK-UHFFFAOYSA-N -1 0 331.437 3.615 20 0 EHADRM O=C(N[C@@H]1CC=CC[C@H]1C(F)(F)F)c1cc(F)c([O-])c(Cl)c1 ZINC000828546028 1135766150 /nfs/dbraw/zinc/76/61/50/1135766150.db2.gz MUUQNBWMKWVFTK-LDYMZIIASA-N -1 0 337.700 3.812 20 0 EHADRM CCCCCn1cc(CNC(=O)c2cccc(Cl)c2[O-])c(C)n1 ZINC000775811656 1135768019 /nfs/dbraw/zinc/76/80/19/1135768019.db2.gz QRQBAAZLCNFEMU-UHFFFAOYSA-N -1 0 335.835 3.671 20 0 EHADRM CCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)Cc1ccc(C)cc1 ZINC000809064070 1135770204 /nfs/dbraw/zinc/77/02/04/1135770204.db2.gz HUWGVHLMEWVMFC-INIZCTEOSA-N -1 0 325.474 3.548 20 0 EHADRM CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(C)cc1 ZINC000809064008 1135770344 /nfs/dbraw/zinc/77/03/44/1135770344.db2.gz CGZVYBOYFYBQEM-HNNXBMFYSA-N -1 0 325.474 3.548 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)cc1 ZINC000809065007 1135770349 /nfs/dbraw/zinc/77/03/49/1135770349.db2.gz RXAKDLACRUHABL-OKZBNKHCSA-N -1 0 349.496 3.548 20 0 EHADRM O=S(=O)([N-]c1cccc(-c2cccnc2)c1)c1cccc(Cl)n1 ZINC001198223003 1135786261 /nfs/dbraw/zinc/78/62/61/1135786261.db2.gz BXBZPKULMQRSBK-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM COc1cc(Br)ccc1NC(=O)c1cccc(F)c1[O-] ZINC001131602911 1135795109 /nfs/dbraw/zinc/79/51/09/1135795109.db2.gz AERMJOIPCNUUPA-UHFFFAOYSA-N -1 0 340.148 3.555 20 0 EHADRM CCc1cc(C(=O)OC)c(Nc2cc(F)c(C(=O)[O-])c(F)c2)s1 ZINC001203316351 1135819334 /nfs/dbraw/zinc/81/93/34/1135819334.db2.gz KSYMXYJJTBXABE-UHFFFAOYSA-N -1 0 341.335 3.817 20 0 EHADRM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1cc(C)cc(Cl)c1 ZINC001198702532 1135845188 /nfs/dbraw/zinc/84/51/88/1135845188.db2.gz XTRHVOZPWYAVGI-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM O=S(=O)([N-]c1cc(C2CCCC2)no1)c1ccc2occc2c1 ZINC001198817747 1135859379 /nfs/dbraw/zinc/85/93/79/1135859379.db2.gz ITUXHFQOVDSETA-UHFFFAOYSA-N -1 0 332.381 3.879 20 0 EHADRM Cc1c(NC(=O)c2ccc(Br)cc2[O-])cccc1N(C)C ZINC000775985461 1135909195 /nfs/dbraw/zinc/90/91/95/1135909195.db2.gz BSXAZYDRGOREFJ-UHFFFAOYSA-N -1 0 349.228 3.781 20 0 EHADRM CCCC(C)(C)C(=O)Nc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC001132106885 1135930903 /nfs/dbraw/zinc/93/09/03/1135930903.db2.gz IGXOVNSCESSMGZ-UHFFFAOYSA-N -1 0 348.340 3.769 20 0 EHADRM CC(C)Oc1ncc(-c2c(Cl)cc(C(=O)[O-])cc2Cl)cn1 ZINC001244515017 1135949397 /nfs/dbraw/zinc/94/93/97/1135949397.db2.gz DTLWQEZSWDBKCT-UHFFFAOYSA-N -1 0 327.167 3.936 20 0 EHADRM Cc1cncc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)c1 ZINC001201246563 1135998774 /nfs/dbraw/zinc/99/87/74/1135998774.db2.gz IANGHTWIFINCFW-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CCCOc1c(F)c(F)c([N-]c2noc3nccnc23)c(F)c1F ZINC001201300867 1136004811 /nfs/dbraw/zinc/00/48/11/1136004811.db2.gz YBONOPRRSLSJQU-UHFFFAOYSA-N -1 0 342.252 3.707 20 0 EHADRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1cc(C)cc(Cl)c1 ZINC001201760649 1136060530 /nfs/dbraw/zinc/06/05/30/1136060530.db2.gz QBWTZBMOWKBRFY-UHFFFAOYSA-N -1 0 337.253 3.868 20 0 EHADRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1cncc(C2CCC2)c1 ZINC001201735283 1136062169 /nfs/dbraw/zinc/06/21/69/1136062169.db2.gz GBKCYEZSCCOKLK-UHFFFAOYSA-N -1 0 343.861 3.568 20 0 EHADRM O=C(Nc1ccccc1)Nc1ccc2ccccc2c1S(=O)(=O)[O-] ZINC001201955592 1136078329 /nfs/dbraw/zinc/07/83/29/1136078329.db2.gz DYQJINBAWUUAEF-UHFFFAOYSA-N -1 0 342.376 3.731 20 0 EHADRM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1cccc2[nH]c(=O)oc21 ZINC000811709268 1136123468 /nfs/dbraw/zinc/12/34/68/1136123468.db2.gz YPJIYQBKMVPRMN-UHFFFAOYSA-N -1 0 346.408 3.632 20 0 EHADRM O=C(Nc1ccc(Br)cc1)Nc1ccnc(Cl)c1[O-] ZINC001202326777 1136129886 /nfs/dbraw/zinc/12/98/86/1136129886.db2.gz HWJVNZWIIQASAP-UHFFFAOYSA-N -1 0 342.580 3.847 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1ccnc(Cl)c1C ZINC000811836486 1136143200 /nfs/dbraw/zinc/14/32/00/1136143200.db2.gz XQFDWZRSFJZYJA-UHFFFAOYSA-N -1 0 328.846 3.566 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)c(C)o1 ZINC000776300245 1136149564 /nfs/dbraw/zinc/14/95/64/1136149564.db2.gz GILQSPDWXGLFBD-UHFFFAOYSA-N -1 0 334.441 3.688 20 0 EHADRM CCCCOc1ccc(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(C)c1 ZINC000780458736 1136170037 /nfs/dbraw/zinc/17/00/37/1136170037.db2.gz LDJUKXXUKFOLMB-INIZCTEOSA-N -1 0 336.432 3.795 20 0 EHADRM C[C@H](Sc1nc2ccccc2s1)C(=O)[N-]OC/C=C\Cl ZINC000812408017 1136209273 /nfs/dbraw/zinc/20/92/73/1136209273.db2.gz LVIAPWLJJNJOPO-WYDVEAGSSA-N -1 0 328.846 3.577 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(Cl)nc(Cl)c2)c1 ZINC000812707416 1136235839 /nfs/dbraw/zinc/23/58/39/1136235839.db2.gz GKFXRRCCODTTCW-UHFFFAOYSA-N -1 0 339.178 3.939 20 0 EHADRM CON(Cc1ccc(Cl)cc1)C(=O)c1ccc([O-])c(Cl)c1 ZINC000812799048 1136253201 /nfs/dbraw/zinc/25/32/01/1136253201.db2.gz CLSGWVYDDAHPIR-UHFFFAOYSA-N -1 0 326.179 3.903 20 0 EHADRM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C1CC2(C1)CCCCC2 ZINC000850851958 1136311580 /nfs/dbraw/zinc/31/15/80/1136311580.db2.gz NCLFUPQCYIVHAX-AWEZNQCLSA-N -1 0 335.469 3.554 20 0 EHADRM O=C(O[C@H]1C[C@@H]([N-]C(=O)C(F)(F)F)c2ccccc21)C1CCCC1 ZINC000851175053 1136346333 /nfs/dbraw/zinc/34/63/33/1136346333.db2.gz DFELLLJTTSQDEH-KGLIPLIRSA-N -1 0 341.329 3.584 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCCc1ccccc1 ZINC000814016500 1136386468 /nfs/dbraw/zinc/38/64/68/1136386468.db2.gz MQSKCCSWWGUADI-SFHVURJKSA-N -1 0 345.464 3.607 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCc1ccc(C)cc1 ZINC000814016703 1136386871 /nfs/dbraw/zinc/38/68/71/1136386871.db2.gz PGRFCNQPVMWTAM-GOSISDBHSA-N -1 0 345.464 3.525 20 0 EHADRM Cc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851593667 1136394901 /nfs/dbraw/zinc/39/49/01/1136394901.db2.gz AGQNYVHPJZMBLA-SOGBHIHOSA-N -1 0 325.364 3.663 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)c2ccc(/C=C/C(=O)[O-])o2)cc1C ZINC000851595482 1136395521 /nfs/dbraw/zinc/39/55/21/1136395521.db2.gz PHTXFXXPIALGDW-SYJIQKIWSA-N -1 0 339.391 3.972 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)C[C@]23CCCC[C@H]2C3(F)F)cc1 ZINC000851597931 1136395550 /nfs/dbraw/zinc/39/55/50/1136395550.db2.gz FTASKMRBGNSBOB-IVXVGSNXSA-N -1 0 335.350 3.939 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)o1 ZINC000851604953 1136396103 /nfs/dbraw/zinc/39/61/03/1136396103.db2.gz DCEWZSLOOTWJOY-LXJJZASNSA-N -1 0 339.391 3.519 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1cc(C)oc1C ZINC000776567942 1136437650 /nfs/dbraw/zinc/43/76/50/1136437650.db2.gz YTZYXGKRFSRMHG-OAHLLOKOSA-N -1 0 341.473 3.698 20 0 EHADRM CCC[C@](C)(NC(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000776611329 1136470878 /nfs/dbraw/zinc/47/08/78/1136470878.db2.gz XONNTUCFOJFAAU-OFAQMXQXSA-N -1 0 343.345 3.868 20 0 EHADRM CC[C@@H](c1nnc(NC([O-])=NOCC2CC2)s1)c1ccccc1 ZINC000814634078 1136483090 /nfs/dbraw/zinc/48/30/90/1136483090.db2.gz ODISJRWDARVVTQ-CYBMUJFWSA-N -1 0 332.429 3.543 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000776630985 1136493788 /nfs/dbraw/zinc/49/37/88/1136493788.db2.gz DOKHPJUNLYIUEV-DVESRUBUSA-N -1 0 339.391 3.889 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1cccc(C2SCCS2)c1 ZINC000852947610 1136493797 /nfs/dbraw/zinc/49/37/97/1136493797.db2.gz MBNAZWMQGLRXFY-INIZCTEOSA-N -1 0 337.466 3.605 20 0 EHADRM Nc1nc(Cl)ccc1Nc1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC001159379730 1136609294 /nfs/dbraw/zinc/60/92/94/1136609294.db2.gz ONIFPFOIFQQYGY-UHFFFAOYSA-N -1 0 331.681 3.778 20 0 EHADRM CCN(C(=O)c1ccc([O-])c(Cl)c1)[C@H](C)[C@H](O)c1ccccc1 ZINC000854566410 1136628650 /nfs/dbraw/zinc/62/86/50/1136628650.db2.gz WGOLULKWTQGTDQ-PXAZEXFGSA-N -1 0 333.815 3.630 20 0 EHADRM Cc1cccc(NC(=O)[C@H](C)OC(=O)c2ccc([O-])c(Cl)c2)c1C ZINC000854606119 1136631533 /nfs/dbraw/zinc/63/15/33/1136631533.db2.gz XBJOICJTJNNIIF-LBPRGKRZSA-N -1 0 347.798 3.846 20 0 EHADRM Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc([O-])c(Cl)c2)c1C ZINC000854606118 1136631543 /nfs/dbraw/zinc/63/15/43/1136631543.db2.gz XBJOICJTJNNIIF-GFCCVEGCSA-N -1 0 347.798 3.846 20 0 EHADRM C[C@]1(CCNC(=O)c2ccc3oc(=S)[n-]c3c2)C[C@]1(F)Cl ZINC000855019292 1136661074 /nfs/dbraw/zinc/66/10/74/1136661074.db2.gz XJLOLODKNRRNHI-UONOGXRCSA-N -1 0 328.796 3.551 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc3oc(=S)[n-]c3c2)CCc2ccccc21 ZINC000855025986 1136661681 /nfs/dbraw/zinc/66/16/81/1136661681.db2.gz QSFNOGYIYISGNT-LBPRGKRZSA-N -1 0 338.432 3.919 20 0 EHADRM CC(C)Cc1ccc(S(=O)(=O)[N-]C(=O)CC(C)(C)C2CC2)cc1 ZINC000816017983 1136664269 /nfs/dbraw/zinc/66/42/69/1136664269.db2.gz RHKFSIJZZKUSNH-UHFFFAOYSA-N -1 0 337.485 3.516 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CC(C)(C)C1CC1 ZINC000816106969 1136673786 /nfs/dbraw/zinc/67/37/86/1136673786.db2.gz ABIZTJBIPDPWPC-KRWDZBQOSA-N -1 0 337.485 3.656 20 0 EHADRM CC(C)CCc1nnc(NC(=O)c2ccc3[n-]c(=S)oc3c2)s1 ZINC000855189929 1136675039 /nfs/dbraw/zinc/67/50/39/1136675039.db2.gz NIXKXBYBORCPOK-UHFFFAOYSA-N -1 0 348.453 3.809 20 0 EHADRM Cc1nc(Cl)sc1C(=O)Nc1nnc(CCC(C)C)s1 ZINC000855189408 1136675172 /nfs/dbraw/zinc/67/51/72/1136675172.db2.gz IKBJVTRUJHZVJY-UHFFFAOYSA-N -1 0 330.866 3.797 20 0 EHADRM Cc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)[C@H](c2ccccc2)C(C)C)o1 ZINC000816108357 1136677299 /nfs/dbraw/zinc/67/72/99/1136677299.db2.gz FFKSZIHBBDIOFB-YOEHRIQHSA-N -1 0 349.452 3.535 20 0 EHADRM Cc1ccsc1C(=O)[N-]S(=O)(=O)[C@H](c1ccccc1)C(C)C ZINC000816109331 1136677704 /nfs/dbraw/zinc/67/77/04/1136677704.db2.gz AIXQEDPZPUQDIU-HNNXBMFYSA-N -1 0 337.466 3.513 20 0 EHADRM CCC(CC)[C@H](C)C(=O)[N-]S(=O)(=O)[C@@H](c1ccccc1)C(C)C ZINC000816112491 1136678060 /nfs/dbraw/zinc/67/80/60/1136678060.db2.gz VZHLBACZRFLYMR-WMLDXEAASA-N -1 0 339.501 3.902 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cccn1C(C)C ZINC000816112439 1136678155 /nfs/dbraw/zinc/67/81/55/1136678155.db2.gz VABPKMHDLWTXSB-KRWDZBQOSA-N -1 0 348.468 3.526 20 0 EHADRM CC(=O)c1cc(F)c([O-])c(NC(=O)c2ccc(C(C)C)nc2C)c1 ZINC000830331484 1136681671 /nfs/dbraw/zinc/68/16/71/1136681671.db2.gz FEDIUZKZEBHXKY-UHFFFAOYSA-N -1 0 330.359 3.813 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCCSC[C@H]1C1CC1 ZINC000888490288 1136689853 /nfs/dbraw/zinc/68/98/53/1136689853.db2.gz WPGIYCGPSPKMIJ-ZDUSSCGKSA-N -1 0 329.824 3.542 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)[N-]S(=O)(=O)Cc1c(C)cccc1C ZINC000816338451 1136701443 /nfs/dbraw/zinc/70/14/43/1136701443.db2.gz JYQHLNNFLJQAOA-UHFFFAOYSA-N -1 0 349.452 3.588 20 0 EHADRM Oc1ccc(F)c(CN2CCC[C@H]2C[C@@H](O)c2cccs2)c1F ZINC000816520560 1136732859 /nfs/dbraw/zinc/73/28/59/1136732859.db2.gz RYHCHROIMIAHET-XHDPSFHLSA-N -1 0 339.407 3.820 20 0 EHADRM O=C([N-]Oc1ccccc1)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000816683850 1136748314 /nfs/dbraw/zinc/74/83/14/1136748314.db2.gz BPGDCNOHJWPCFA-UONOGXRCSA-N -1 0 337.297 3.799 20 0 EHADRM Cc1cc(-c2ncco2)ccc1NC(=O)c1n[n-]c2ccccc2c1=O ZINC000816715796 1136750446 /nfs/dbraw/zinc/75/04/46/1136750446.db2.gz JWWPKWRYAHILCX-UHFFFAOYSA-N -1 0 346.346 3.551 20 0 EHADRM CC(C)(C)c1csc(CNC(=O)c2ccc3oc(=S)[n-]c3c2)n1 ZINC000816918743 1136766026 /nfs/dbraw/zinc/76/60/26/1136766026.db2.gz MPANFLZOOMDXAF-UHFFFAOYSA-N -1 0 347.465 3.801 20 0 EHADRM CCC(CC)[C@@H]1C[C@@H](NC(=O)c2ccc3oc(=S)[n-]c3c2)CCO1 ZINC000816964888 1136770142 /nfs/dbraw/zinc/77/01/42/1136770142.db2.gz MYSGSPMINNVJHO-BBRMVZONSA-N -1 0 348.468 3.830 20 0 EHADRM CCCN(CC)c1ccc(C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000856722556 1136803188 /nfs/dbraw/zinc/80/31/88/1136803188.db2.gz NENWQMNPTDKKTN-UHFFFAOYSA-N -1 0 340.423 3.802 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2cccc(SC(F)F)c2)CCC1 ZINC000817572670 1136821464 /nfs/dbraw/zinc/82/14/64/1136821464.db2.gz XBBLLUKQFQKGPI-UHFFFAOYSA-N -1 0 329.368 3.975 20 0 EHADRM CSC(C)(C)C(=O)N1CCC([C@@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000856929806 1136825013 /nfs/dbraw/zinc/82/50/13/1136825013.db2.gz YHYYDPIGMNBUES-INIZCTEOSA-N -1 0 349.496 3.625 20 0 EHADRM CN(OCc1ccccc1)C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000857475366 1136875094 /nfs/dbraw/zinc/87/50/94/1136875094.db2.gz ITEOZKZGRYTGGS-UHFFFAOYSA-N -1 0 325.286 3.615 20 0 EHADRM O=C([N-]OCc1cccnc1)C(F)(F)c1cc(Cl)ccc1Cl ZINC000857474152 1136875143 /nfs/dbraw/zinc/87/51/43/1136875143.db2.gz UEPGFALYFAXKCK-UHFFFAOYSA-N -1 0 347.148 3.728 20 0 EHADRM C[C@H]1CCC[C@@H](NC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])C1 ZINC001136204401 1136929556 /nfs/dbraw/zinc/92/95/56/1136929556.db2.gz NDBULQLPLBUTHD-WCQYABFASA-N -1 0 333.819 3.540 20 0 EHADRM CCCCN(CCCC)C(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC000858465326 1136970331 /nfs/dbraw/zinc/97/03/31/1136970331.db2.gz DEBWSJQWKUCNAZ-UHFFFAOYSA-N -1 0 348.365 3.501 20 0 EHADRM COc1ccccc1C(C)=CC(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000820465165 1136994038 /nfs/dbraw/zinc/99/40/38/1136994038.db2.gz GVOMABZRJBWPAK-OUKQBFOZSA-N -1 0 349.390 3.833 20 0 EHADRM O=C(Nc1nnc(C2CCCCC2)s1)c1s[n-]c(=O)c1Cl ZINC001136358785 1136998991 /nfs/dbraw/zinc/99/89/91/1136998991.db2.gz FNLFDYCALGSCBA-UHFFFAOYSA-N -1 0 344.849 3.654 20 0 EHADRM O=C(c1cc(F)cc(F)c1[O-])N1C[C@@H]2CCCCN2c2ccccc21 ZINC000820734285 1137001550 /nfs/dbraw/zinc/00/15/50/1137001550.db2.gz MFZOIHIPJFUXFY-ZDUSSCGKSA-N -1 0 344.361 3.690 20 0 EHADRM O=C(Nc1nnc(C(F)F)s1)c1cc(Cl)cc(Cl)c1[O-] ZINC001136374710 1137003707 /nfs/dbraw/zinc/00/37/07/1137003707.db2.gz NIPMUFLYIJMTJC-UHFFFAOYSA-N -1 0 340.138 3.740 20 0 EHADRM CC(C)C[C@H](C(=O)Nc1ccc2[n-]c(=S)oc2c1)n1ccnc1 ZINC000820964973 1137012336 /nfs/dbraw/zinc/01/23/36/1137012336.db2.gz TYEAOECTELFCNQ-CYBMUJFWSA-N -1 0 330.413 3.539 20 0 EHADRM O=S(=O)([N-]c1cccc2ocnc21)c1c(Cl)cccc1Cl ZINC000821089151 1137017128 /nfs/dbraw/zinc/01/71/28/1137017128.db2.gz CJYXIAVPNKNZJP-UHFFFAOYSA-N -1 0 343.191 3.935 20 0 EHADRM COc1ccc(N(CC2CC2)C(=O)c2cc(F)cc(F)c2[O-])cc1 ZINC000821462683 1137026902 /nfs/dbraw/zinc/02/69/02/1137026902.db2.gz UXOAZMNUMVFAEQ-UHFFFAOYSA-N -1 0 333.334 3.736 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)cnc1Cl ZINC000117229318 1137045345 /nfs/dbraw/zinc/04/53/45/1137045345.db2.gz WVMNIVASROCFCS-UHFFFAOYSA-N -1 0 332.759 3.782 20 0 EHADRM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)c1 ZINC000117229379 1137045444 /nfs/dbraw/zinc/04/54/44/1137045444.db2.gz RWLYRGVOIHXNRZ-LLVKDONJSA-N -1 0 340.832 3.552 20 0 EHADRM Cc1ccccc1SCC(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000013401765 1137080630 /nfs/dbraw/zinc/08/06/30/1137080630.db2.gz JHTUJBYXPLATAS-DHZHZOJOSA-N -1 0 327.405 3.824 20 0 EHADRM Cc1ccnn1-c1ccc(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000013404503 1137081087 /nfs/dbraw/zinc/08/10/87/1137081087.db2.gz AMRMNLLSHBSPTQ-NYYWCZLTSA-N -1 0 347.374 3.531 20 0 EHADRM O=C(c1ccc(Cl)c([O-])c1)N1C[C@H]2CCCN2c2ccccc21 ZINC001136692486 1137090177 /nfs/dbraw/zinc/09/01/77/1137090177.db2.gz ZSMNBJXSNVVXHX-CYBMUJFWSA-N -1 0 328.799 3.675 20 0 EHADRM CC(C)(C)c1ccc(/C=C\C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])cc1 ZINC000823339474 1137095759 /nfs/dbraw/zinc/09/57/59/1137095759.db2.gz QTEOUCRIBFFEIW-OYVUYXNMSA-N -1 0 343.345 3.519 20 0 EHADRM CCOCc1ccccc1CNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000118768802 1137131524 /nfs/dbraw/zinc/13/15/24/1137131524.db2.gz BBRVYCVSOXEUCY-UHFFFAOYSA-N -1 0 342.420 3.583 20 0 EHADRM CCC[C@@]1(C)CCCN(C(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)C1 ZINC000173462339 1137147794 /nfs/dbraw/zinc/14/77/94/1137147794.db2.gz LTAMXSZGRWMWSJ-FQEVSTJZSA-N -1 0 341.455 3.516 20 0 EHADRM CCN(C(=O)/C=C\c1cc(C(=O)[O-])co1)[C@H](C)c1cccc(OC)c1 ZINC000864104262 1137215296 /nfs/dbraw/zinc/21/52/96/1137215296.db2.gz ASDGCFPDGQTXJD-LJTDUEICSA-N -1 0 343.379 3.609 20 0 EHADRM Cc1cc(C(=O)NCCCCCCC(=O)[O-])ccc1OC(F)(F)F ZINC000864120864 1137216080 /nfs/dbraw/zinc/21/60/80/1137216080.db2.gz DSJQAGIRHOQUPT-UHFFFAOYSA-N -1 0 347.333 3.659 20 0 EHADRM C[C@H](CN(C(=O)CCc1ccc(F)c2ccccc12)C1CC1)C(=O)[O-] ZINC000864129377 1137216542 /nfs/dbraw/zinc/21/65/42/1137216542.db2.gz AITYKOGZPVKGCQ-CYBMUJFWSA-N -1 0 343.398 3.623 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)/C=C\c2cc(C(=O)[O-])co2)C1 ZINC000864138196 1137216897 /nfs/dbraw/zinc/21/68/97/1137216897.db2.gz YMQTUJSGYIQVPH-QYYZMTSQSA-N -1 0 343.354 3.740 20 0 EHADRM Cc1cc2c(CC(=O)N3C[C@@H]4CCC[C@H]4[C@@H]3C(=O)[O-])csc2s1 ZINC000864139076 1137216922 /nfs/dbraw/zinc/21/69/22/1137216922.db2.gz CVMFNEWIYHCMTO-JVLSTEMRSA-N -1 0 349.477 3.525 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@@]23C[C@@H]2CCCC3)C[C@H]1c1ccc(Cl)cc1 ZINC000864139754 1137216965 /nfs/dbraw/zinc/21/69/65/1137216965.db2.gz NKORLRQFNLLEDT-AMVTXUCVSA-N -1 0 347.842 3.547 20 0 EHADRM CC(C)(CCc1ccccc1)NC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000864143906 1137217077 /nfs/dbraw/zinc/21/70/77/1137217077.db2.gz SHMCOKBZAISDRU-CMDGGOBGSA-N -1 0 327.380 3.519 20 0 EHADRM Cc1ccc([C@@H]2CCN(C(=O)/C=C\c3ccc(C(=O)[O-])o3)C2)c(C)c1 ZINC000864158531 1137217687 /nfs/dbraw/zinc/21/76/87/1137217687.db2.gz MXUGFVJRUVBBJR-GTBONMDNSA-N -1 0 339.391 3.624 20 0 EHADRM Cc1ccc(C(C)(C)CNC(=O)c2ccc(/C=C\C(=O)[O-])o2)c(C)c1 ZINC000864177070 1137217915 /nfs/dbraw/zinc/21/79/15/1137217915.db2.gz DZQFYKRBHHEGCO-YFHOEESVSA-N -1 0 341.407 3.702 20 0 EHADRM O=C([O-])C1CC(NC(=O)c2cc3cc(C(F)(F)F)ccc3s2)C1 ZINC000864207141 1137218895 /nfs/dbraw/zinc/21/88/95/1137218895.db2.gz MOUGTSGTJHJKIR-UHFFFAOYSA-N -1 0 343.326 3.513 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)N[C@](C)(CC(=O)[O-])C1CC1 ZINC000864198568 1137218960 /nfs/dbraw/zinc/21/89/60/1137218960.db2.gz JHTGWYSJFNTIBF-MGPLVRAMSA-N -1 0 341.860 3.580 20 0 EHADRM Cc1ccc(SC2CCCC2)c(C(=O)NC2CC(C(=O)[O-])C2)c1 ZINC000864207542 1137218976 /nfs/dbraw/zinc/21/89/76/1137218976.db2.gz OHCDNDJYVHDZGC-UHFFFAOYSA-N -1 0 333.453 3.623 20 0 EHADRM CCCOc1ccc(-c2ccc(-n3[n-]c(C)cc3=O)nc2)c(F)c1 ZINC000864534916 1137233506 /nfs/dbraw/zinc/23/35/06/1137233506.db2.gz KDKQZYCAPIXFTM-UHFFFAOYSA-N -1 0 327.359 3.789 20 0 EHADRM COc1ccc(C2CC2)c(NC(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC000864609230 1137236536 /nfs/dbraw/zinc/23/65/36/1137236536.db2.gz XZGXLMAPNBCQBX-UHFFFAOYSA-N -1 0 346.427 3.681 20 0 EHADRM Cc1ccc(O[C@@H](C)C(=O)[O-])c(-c2ccc(C3(O)CCC3)cc2)c1 ZINC000864613084 1137236616 /nfs/dbraw/zinc/23/66/16/1137236616.db2.gz ZAKDWKNLHSEFOE-AWEZNQCLSA-N -1 0 326.392 3.885 20 0 EHADRM C[C@]1(C(=O)Nc2ccc(F)c(Br)c2[O-])C[C@@H]2C=C[C@H]1C2 ZINC001144284663 1137266730 /nfs/dbraw/zinc/26/67/30/1137266730.db2.gz XXPPTJFQDVGOEK-OLBFVZFUSA-N -1 0 340.192 3.835 20 0 EHADRM Cc1ncc(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)s1 ZINC000339072521 1137275791 /nfs/dbraw/zinc/27/57/91/1137275791.db2.gz UTNBGHLPGMUWHE-UHFFFAOYSA-N -1 0 330.434 3.504 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1C[C@@H]2CCCN2c2ccccc21 ZINC001144634568 1137321445 /nfs/dbraw/zinc/32/14/45/1137321445.db2.gz VXTDORIMYAJXMJ-ZDUSSCGKSA-N -1 0 328.799 3.675 20 0 EHADRM CC(C)n1ccc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)n1 ZINC000794884733 1137323067 /nfs/dbraw/zinc/32/30/67/1137323067.db2.gz ROQNMCRYHRCRCW-CSKARUKUSA-N -1 0 325.821 3.530 20 0 EHADRM CC[C@@H](CNC(=O)c1ccc2[n-]c(=S)oc2c1)CC(F)(F)F ZINC000839842249 1137407301 /nfs/dbraw/zinc/40/73/01/1137407301.db2.gz MAVIQIDLTFISHJ-MRVPVSSYSA-N -1 0 332.347 3.825 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CC(F)(F)C(F)(F)F)c1 ZINC000868486803 1137411531 /nfs/dbraw/zinc/41/15/31/1137411531.db2.gz JWXKXBQTQCXYFJ-UHFFFAOYSA-N -1 0 325.233 3.511 20 0 EHADRM CC(C)c1cc(Cl)ccc1NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001147973586 1137415505 /nfs/dbraw/zinc/41/55/05/1137415505.db2.gz CNAOCDUNNLKVHD-UHFFFAOYSA-N -1 0 331.759 3.958 20 0 EHADRM Nc1ccc2c(c1)CCCN2C(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001148811813 1137435477 /nfs/dbraw/zinc/43/54/77/1137435477.db2.gz MAZZWVDNQXJUNJ-UHFFFAOYSA-N -1 0 337.206 3.874 20 0 EHADRM CC(=O)c1cccc(O)c1NC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001148812285 1137435507 /nfs/dbraw/zinc/43/55/07/1137435507.db2.gz VTOQFKGHQHURRO-UHFFFAOYSA-N -1 0 340.162 3.860 20 0 EHADRM CC(=O)Oc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2[O-])cc1 ZINC001148812657 1137435553 /nfs/dbraw/zinc/43/55/53/1137435553.db2.gz XWIHKHFAKJHARF-UHFFFAOYSA-N -1 0 340.162 3.877 20 0 EHADRM C[C@]12CCCC[C@H]1CN2C(=O)c1cc(Br)cc(F)c1[O-] ZINC000869488981 1137453905 /nfs/dbraw/zinc/45/39/05/1137453905.db2.gz FOODZHJGNDVWKE-VFZGTOFNSA-N -1 0 342.208 3.699 20 0 EHADRM O=C([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1=CCCCCC1 ZINC000122733046 1137464485 /nfs/dbraw/zinc/46/44/85/1137464485.db2.gz UIQPSUWLXGUVRB-UHFFFAOYSA-N -1 0 348.251 3.689 20 0 EHADRM Cc1ccc(O)cc1NC(=O)c1cc(Br)c(F)cc1[O-] ZINC001171489350 1137491578 /nfs/dbraw/zinc/49/15/78/1137491578.db2.gz IPAVBYJTUUTRAV-UHFFFAOYSA-N -1 0 340.148 3.560 20 0 EHADRM Cc1cc(-c2cc(=O)n([C@H]3CCOC4(CCCC4)C3)[n-]2)ccc1F ZINC000871963940 1137563803 /nfs/dbraw/zinc/56/38/03/1137563803.db2.gz MVLHINIOERPZCD-HNNXBMFYSA-N -1 0 330.403 3.562 20 0 EHADRM CCOc1ccccc1-c1cc(=O)n([C@@H]2CCOC3(CCCC3)C2)[n-]1 ZINC000871964743 1137563836 /nfs/dbraw/zinc/56/38/36/1137563836.db2.gz YROHNIFHFPRCHU-OAHLLOKOSA-N -1 0 342.439 3.514 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(F)c(C(F)F)c2)n[nH]1 ZINC000872003380 1137564269 /nfs/dbraw/zinc/56/42/69/1137564269.db2.gz OZECYQTZGRGIBB-UHFFFAOYSA-N -1 0 347.362 3.585 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cncc(C(F)F)c2)c1 ZINC000872010330 1137564368 /nfs/dbraw/zinc/56/43/68/1137564368.db2.gz NHXAREGNFIRTME-UHFFFAOYSA-N -1 0 326.368 3.943 20 0 EHADRM O=S(=O)([N-]c1cncc(C(F)F)c1)c1cccc2c1CCCC2 ZINC000872010450 1137564548 /nfs/dbraw/zinc/56/45/48/1137564548.db2.gz RZJMOLCDVSROLW-UHFFFAOYSA-N -1 0 338.379 3.699 20 0 EHADRM C[C@@H]1CN(Cc2cc(C(=O)[O-])cs2)C[C@@H](c2ccc(F)cc2)O1 ZINC000872159696 1137574499 /nfs/dbraw/zinc/57/44/99/1137574499.db2.gz XXCOUGXOBWKNAR-BZNIZROVSA-N -1 0 335.400 3.547 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(-c3cccc(F)c3)s2)CC[C@@H]1C(=O)[O-] ZINC000872726041 1137583295 /nfs/dbraw/zinc/58/32/95/1137583295.db2.gz ZXRWVHMYAXVNIF-FZMZJTMJSA-N -1 0 347.411 3.737 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000872736195 1137583517 /nfs/dbraw/zinc/58/35/17/1137583517.db2.gz NBXMQVVFNNCLFJ-GXTWGEPZSA-N -1 0 346.452 3.596 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000872766076 1137584056 /nfs/dbraw/zinc/58/40/56/1137584056.db2.gz PONMJFNESJBHIJ-KBXCAEBGSA-N -1 0 347.411 3.818 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)[C@H]1C[C@@H]1c1ccc3ccccc3c1)CC2 ZINC000872767022 1137584086 /nfs/dbraw/zinc/58/40/86/1137584086.db2.gz HTULATPPKURKKR-MOXWOTFGSA-N -1 0 349.430 3.799 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)CCc1ccc3ccccc3c1)CC2 ZINC000872767832 1137584153 /nfs/dbraw/zinc/58/41/53/1137584153.db2.gz KUEMBGKLGFUXOJ-NQIIRXRSSA-N -1 0 337.419 3.628 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])C(=O)N[C@H](C)c1ccccc1C(F)(F)F ZINC000872838928 1137585352 /nfs/dbraw/zinc/58/53/52/1137585352.db2.gz JSVKTKMCAILBFM-BMIGLBTASA-N -1 0 331.334 3.774 20 0 EHADRM Cc1cc(NC(=O)C(C)(C)SCC(=O)[O-])ccc1-c1ccncc1 ZINC000872869250 1137585754 /nfs/dbraw/zinc/58/57/54/1137585754.db2.gz IZTUUWFOPCZYBW-UHFFFAOYSA-N -1 0 344.436 3.592 20 0 EHADRM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc2ccnc(Cl)c2c1 ZINC000872875146 1137585819 /nfs/dbraw/zinc/58/58/19/1137585819.db2.gz WBGQDDOQYZFKHZ-OLZOCXBDSA-N -1 0 332.787 3.718 20 0 EHADRM C[C@H](c1ccccc1)N(C)C(=O)C[C@]1(C(=O)[O-])CCc2ccccc21 ZINC000872887911 1137586032 /nfs/dbraw/zinc/58/60/32/1137586032.db2.gz QVNGERWQKLJTON-QVKFZJNVSA-N -1 0 337.419 3.565 20 0 EHADRM CC[C@H](NC(=O)C[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1OC ZINC000872896717 1137586147 /nfs/dbraw/zinc/58/61/47/1137586147.db2.gz SZIVNOIKGWHOMB-SJORKVTESA-N -1 0 341.407 3.521 20 0 EHADRM Cc1cc([C@@H]2CCCN2C(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)no1 ZINC000872899954 1137586255 /nfs/dbraw/zinc/58/62/55/1137586255.db2.gz QGHMKGADRGTPQU-QFBILLFUSA-N -1 0 348.443 3.708 20 0 EHADRM CCCOc1ccc(-c2ccc(OCC(=O)[O-])c(C=O)c2)c(F)c1 ZINC000874969570 1137627203 /nfs/dbraw/zinc/62/72/03/1137627203.db2.gz POHIYQMECONMAG-UHFFFAOYSA-N -1 0 332.327 3.557 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)Nc3cccc(C(=O)[O-])c3)cc2)o1 ZINC000874971353 1137627290 /nfs/dbraw/zinc/62/72/90/1137627290.db2.gz COCXQOUJZSOZKJ-UHFFFAOYSA-N -1 0 335.315 3.710 20 0 EHADRM CC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000129333166 1137817662 /nfs/dbraw/zinc/81/76/62/1137817662.db2.gz WIKCJYDIHAPGRF-UHFFFAOYSA-N -1 0 329.830 3.713 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]C(=O)[C@H](C)c2ccccc2F)c1 ZINC000130016836 1137833354 /nfs/dbraw/zinc/83/33/54/1137833354.db2.gz GLNJUXJQSGPYFE-CYBMUJFWSA-N -1 0 349.427 3.558 20 0 EHADRM O=S(=O)([N-]c1ncsc1C1CC1)c1ccc2c(c1)CCCC2 ZINC000882771143 1137833887 /nfs/dbraw/zinc/83/38/87/1137833887.db2.gz QBPDYOAQVINQFH-UHFFFAOYSA-N -1 0 334.466 3.700 20 0 EHADRM CC(F)(F)CCS(=O)(=O)[N-][C@H](c1cccc(Cl)c1)C(F)F ZINC000882818627 1137835098 /nfs/dbraw/zinc/83/50/98/1137835098.db2.gz UFPFSNPXDBTSDW-SNVBAGLBSA-N -1 0 347.761 3.611 20 0 EHADRM CC(C)n1cnc(S(=O)(=O)[N-]c2cccc(SC(F)F)c2)c1 ZINC000131940523 1137861505 /nfs/dbraw/zinc/86/15/05/1137861505.db2.gz ALDHTOQIATWNTN-UHFFFAOYSA-N -1 0 347.412 3.580 20 0 EHADRM O=C(Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1)NC1CCCCC1 ZINC001202615020 1137885439 /nfs/dbraw/zinc/88/54/39/1137885439.db2.gz JXNSJTRANDQFAG-UHFFFAOYSA-N -1 0 348.424 3.541 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N(Cc2ccccc2)C2CC2)cc1C ZINC000107961112 1137888313 /nfs/dbraw/zinc/88/83/13/1137888313.db2.gz UZGPQYGDSQWEQR-XMMPIXPASA-N -1 0 341.476 3.602 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N(C)[C@H](C)c2ccc(F)cc2)c(C)c1 ZINC000107972014 1137888429 /nfs/dbraw/zinc/88/84/29/1137888429.db2.gz XUTHDYOBNCKZQP-OYLFLEFRSA-N -1 0 347.455 3.770 20 0 EHADRM Cc1ccccc1S([O-])=CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000108087520 1137888700 /nfs/dbraw/zinc/88/87/00/1137888700.db2.gz NTAHXGCJVVXGDA-HOYKHHGWSA-N -1 0 341.476 3.639 20 0 EHADRM O=S(=O)(/C=C/c1ccccc1F)[N-]c1nc2ccccc2s1 ZINC000800028317 1137894787 /nfs/dbraw/zinc/89/47/87/1137894787.db2.gz MYHCNQOQSQZQBE-MDZDMXLPSA-N -1 0 334.397 3.848 20 0 EHADRM CC(C)(C)[C@@H]([N-]S(=O)(=O)/C=C\c1ccccc1F)C(F)(F)F ZINC000800044361 1137895554 /nfs/dbraw/zinc/89/55/54/1137895554.db2.gz ZPSDWTLHNHPBDV-JLVNDZCYSA-N -1 0 339.354 3.693 20 0 EHADRM CCC(CC)c1nnc([N-]C(=O)c2ncoc2[C@@H]2CCCO2)s1 ZINC000331681394 1137917071 /nfs/dbraw/zinc/91/70/71/1137917071.db2.gz WFFJGPVMGGLDHG-JTQLQIEISA-N -1 0 336.417 3.534 20 0 EHADRM CCN(C(=O)c1nn(-c2ccccc2)cc1[O-])[C@H]1CCCC[C@@H]1C ZINC000332666853 1137950758 /nfs/dbraw/zinc/95/07/58/1137950758.db2.gz OLPBHLGUWPNMEC-HOCLYGCPSA-N -1 0 327.428 3.619 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccsc2)s1)NC1CCC2(CC2)CC1 ZINC000332989053 1137952518 /nfs/dbraw/zinc/95/25/18/1137952518.db2.gz ASJBAVXAQSRPII-UHFFFAOYSA-N -1 0 334.470 3.533 20 0 EHADRM CO[N-]C(=O)C(=O)Nc1ccccc1-c1ccc(-c2ccccc2)cc1 ZINC000134753779 1137960678 /nfs/dbraw/zinc/96/06/78/1137960678.db2.gz GTWDRRCPQSDHSP-UHFFFAOYSA-N -1 0 346.386 3.637 20 0 EHADRM CCC[C@@H]1CCC[C@H]1C(=O)OCc1nnc(-c2ccccc2O)o1 ZINC000884531534 1137962322 /nfs/dbraw/zinc/96/23/22/1137962322.db2.gz OYSZHMMXEIKIHW-CHWSQXEVSA-N -1 0 330.384 3.702 20 0 EHADRM O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1ccc([O-])c(Cl)c1 ZINC000060632819 1138067081 /nfs/dbraw/zinc/06/70/81/1138067081.db2.gz CJENTEGYKHFYLR-HNNXBMFYSA-N -1 0 348.830 3.596 20 0 EHADRM CCSCc1cccnc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000886444830 1138078664 /nfs/dbraw/zinc/07/86/64/1138078664.db2.gz LNBSGACZDXVNEB-UHFFFAOYSA-N -1 0 336.482 3.752 20 0 EHADRM CS[C@@H](CNC(=O)c1cc(C(=O)[O-])ccc1Cl)C(C)(C)C ZINC000826538556 1138229236 /nfs/dbraw/zinc/22/92/36/1138229236.db2.gz FZJNINSTZDBNJB-LBPRGKRZSA-N -1 0 329.849 3.546 20 0 EHADRM C[C@H](O)C[C@@H]1CCCN1C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000093241703 1138235253 /nfs/dbraw/zinc/23/52/53/1138235253.db2.gz XPZZNTDJKADHGT-RYUDHWBXSA-N -1 0 333.815 3.574 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1ccc(OC(C)(C)C)cc1 ZINC000121699401 1138248567 /nfs/dbraw/zinc/24/85/67/1138248567.db2.gz QGXRKURKFAHFBH-UHFFFAOYSA-N -1 0 341.454 3.735 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)NC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000887315490 1138262656 /nfs/dbraw/zinc/26/26/56/1138262656.db2.gz VLBJGHPCMJYBHE-SNVBAGLBSA-N -1 0 331.334 3.558 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC000887315808 1138262831 /nfs/dbraw/zinc/26/28/31/1138262831.db2.gz BRYHXWRQXHBBAH-YNEHKIRRSA-N -1 0 345.292 3.865 20 0 EHADRM COc1cccc(NC(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)c1OC ZINC000887318910 1138264529 /nfs/dbraw/zinc/26/45/29/1138264529.db2.gz FWPVBVSAPGXZKE-IBGZPJMESA-N -1 0 349.427 3.704 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccsc2)s1)N1CC(C2CCCCC2)C1 ZINC000333284943 1138273957 /nfs/dbraw/zinc/27/39/57/1138273957.db2.gz YQRYECQWGXJEEG-UHFFFAOYSA-N -1 0 348.497 3.733 20 0 EHADRM O=C([O-])c1c(F)cc(Nc2ccc(OC3CCOCC3)cc2)cc1F ZINC001203329397 1138275660 /nfs/dbraw/zinc/27/56/60/1138275660.db2.gz BOCUWQASTZAOLZ-UHFFFAOYSA-N -1 0 349.333 3.964 20 0 EHADRM CCCOc1ccc(NC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1C(C)C ZINC000887394638 1138302927 /nfs/dbraw/zinc/30/29/27/1138302927.db2.gz XRSTVMSHESRTLC-AWEZNQCLSA-N -1 0 348.443 3.927 20 0 EHADRM Cc1c(=O)[nH]c(SC[C@@H]2CCCC[C@H]2O)nc1-c1ccccc1 ZINC000334025964 1138362914 /nfs/dbraw/zinc/36/29/14/1138362914.db2.gz HGVIXLRVLDPLFU-LSDHHAIUSA-N -1 0 330.453 3.801 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)N(CC(=O)[O-])c2ccccc2)o1 ZINC000337699765 1138646523 /nfs/dbraw/zinc/64/65/23/1138646523.db2.gz BANTWZRHEBUXQE-OEAJRASXSA-N -1 0 339.391 3.624 20 0 EHADRM Cc1cccc(S([O-])=CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)c1 ZINC000134040503 1138670042 /nfs/dbraw/zinc/67/00/42/1138670042.db2.gz LCIZLCYLTXHJEX-FATZIPQQSA-N -1 0 349.883 3.976 20 0 EHADRM CCc1onc(C)c1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000134764786 1138704415 /nfs/dbraw/zinc/70/44/15/1138704415.db2.gz IRPCTGRXXULQHI-UHFFFAOYSA-N -1 0 335.212 3.653 20 0 EHADRM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1s[n-]c(=O)c1Cl ZINC000283016394 1138718322 /nfs/dbraw/zinc/71/83/22/1138718322.db2.gz JMKNOVQAIZHOEH-SNVBAGLBSA-N -1 0 336.844 3.943 20 0 EHADRM Cc1c(F)nccc1Nc1ccc2c(cccc2S(=O)(=O)[O-])c1 ZINC001212844263 1138758275 /nfs/dbraw/zinc/75/82/75/1138758275.db2.gz ZMAIKYXEIOXGQG-UHFFFAOYSA-N -1 0 332.356 3.673 20 0 EHADRM CC(C)n1cnc(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)c1 ZINC000338222209 1138792459 /nfs/dbraw/zinc/79/24/59/1138792459.db2.gz YGOHJMMNLPTIKH-UHFFFAOYSA-N -1 0 341.436 3.517 20 0 EHADRM COc1ccc([C@@H](NC(=O)c2cc(F)c([O-])c(F)c2)C2CC2)cc1 ZINC000177033489 1139593564 /nfs/dbraw/zinc/59/35/64/1139593564.db2.gz OHPYAJMJCFETHQ-INIZCTEOSA-N -1 0 333.334 3.560 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(F)cc(Cl)c2[O-])C[C@H](c2ccccc2)O1 ZINC000177111643 1139598302 /nfs/dbraw/zinc/59/83/02/1139598302.db2.gz ADBPRTVJTDUSFR-MEDUHNTESA-N -1 0 349.789 3.787 20 0 EHADRM CCc1cccc(C)c1NC(=O)CSc1n[n-]c(=S)s1 ZINC000177732672 1139636999 /nfs/dbraw/zinc/63/69/99/1139636999.db2.gz TYJDSAKXSGNDDP-UHFFFAOYSA-N -1 0 325.484 3.802 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)c2cc3ccccc3o2)c1Cl ZINC000777353020 1139796126 /nfs/dbraw/zinc/79/61/26/1139796126.db2.gz TXGIYVKHYJJOHG-UHFFFAOYSA-N -1 0 349.795 3.513 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000179985577 1139798097 /nfs/dbraw/zinc/79/80/97/1139798097.db2.gz VNGNEBGVZMLWSZ-OFQRWUPVSA-N -1 0 335.831 3.895 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N2CCC[C@H]2c2ccccc2Cl)C1 ZINC000180112278 1139809647 /nfs/dbraw/zinc/80/96/47/1139809647.db2.gz XRAXPBBDGFSUNR-XEZPLFJOSA-N -1 0 335.831 3.895 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)c(C)o1 ZINC000182809994 1139994480 /nfs/dbraw/zinc/99/44/80/1139994480.db2.gz OTEFTCHEQXWFTD-UHFFFAOYSA-N -1 0 333.331 3.802 20 0 EHADRM Cc1cc(/C=C/C(=O)NC[C@@H](C)CC(=O)[O-])c(C)n1C1CCCCC1 ZINC000777396448 1140040000 /nfs/dbraw/zinc/04/00/00/1140040000.db2.gz GEOIGMPCYVSHJB-HBWSCVEGSA-N -1 0 346.471 3.850 20 0 EHADRM Cc1nn(C(C)(C)C)cc1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000183592795 1140048366 /nfs/dbraw/zinc/04/83/66/1140048366.db2.gz WJVWNWUQRCLOHN-UHFFFAOYSA-N -1 0 330.413 3.629 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(F)c([O-])c(Cl)c2)C[C@@H](c2ccccc2)O1 ZINC000184321212 1140095519 /nfs/dbraw/zinc/09/55/19/1140095519.db2.gz SHSAGCJATSABIB-BZNIZROVSA-N -1 0 349.789 3.787 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(F)c([O-])c(Cl)c2)C[C@@H](c2ccccc2)O1 ZINC000184321230 1140096074 /nfs/dbraw/zinc/09/60/74/1140096074.db2.gz SHSAGCJATSABIB-ZBEGNZNMSA-N -1 0 349.789 3.787 20 0 EHADRM CCC(CC)[C@@H]1C[C@@H](NC(=O)c2cc(F)c(F)c([O-])c2F)CCO1 ZINC000184483090 1140105089 /nfs/dbraw/zinc/10/50/89/1140105089.db2.gz AHOZXHDHFWMACF-GWCFXTLKSA-N -1 0 345.361 3.523 20 0 EHADRM CCCCCc1nnc([N-]C(=O)c2cc(CSCC)on2)s1 ZINC000184741197 1140118219 /nfs/dbraw/zinc/11/82/19/1140118219.db2.gz AIYXOQWGIHLNSW-UHFFFAOYSA-N -1 0 340.474 3.764 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)C[C@@H](C)c1c(C)noc1C)C(=O)[O-] ZINC000191146369 1140439927 /nfs/dbraw/zinc/43/99/27/1140439927.db2.gz VIQCJHBTHRQOCI-KZULUSFZSA-N -1 0 338.448 3.715 20 0 EHADRM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)C=C1CCC(C)(C)CC1 ZINC000191238637 1140446614 /nfs/dbraw/zinc/44/66/14/1140446614.db2.gz OZCHPTFNJBKZNB-UHFFFAOYSA-N -1 0 345.439 3.635 20 0 EHADRM CCO[C@H](C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC000191389693 1140460443 /nfs/dbraw/zinc/46/04/43/1140460443.db2.gz CBCJQOGPXVDGLJ-KDOFPFPSSA-N -1 0 341.407 3.666 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C1 ZINC000192967837 1140557309 /nfs/dbraw/zinc/55/73/09/1140557309.db2.gz RUVNEYSACDJYER-QDEZUTFSSA-N -1 0 333.403 3.626 20 0 EHADRM O=S(=O)(Cc1ccc(Cl)c(F)c1)[N-]c1nc(C2CC2)cs1 ZINC000194554999 1140614725 /nfs/dbraw/zinc/61/47/25/1140614725.db2.gz NPJKDYRDXRYZOA-UHFFFAOYSA-N -1 0 346.836 3.755 20 0 EHADRM CO[C@@H](C)c1nc(=NC(=O)N(C)[C@H](C)c2ccc(C)cc2C)s[n-]1 ZINC000350655855 1140692201 /nfs/dbraw/zinc/69/22/01/1140692201.db2.gz XVMQDUBOMJHVAX-OLZOCXBDSA-N -1 0 348.472 3.509 20 0 EHADRM CC[C@H](NC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1)c1ccncc1 ZINC000266496657 1140694708 /nfs/dbraw/zinc/69/47/08/1140694708.db2.gz WKMFTAIRUIDEEX-LPHOPBHVSA-N -1 0 332.444 3.710 20 0 EHADRM Cc1cc(=O)[nH]c([C@@H](C)Sc2ncccc2Br)n1 ZINC000268349221 1140924334 /nfs/dbraw/zinc/92/43/34/1140924334.db2.gz QPVMZIUGQURPHL-MRVPVSSYSA-N -1 0 326.219 3.501 20 0 EHADRM C[C@@H](NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)c1cccc(F)c1F ZINC000270856037 1141277368 /nfs/dbraw/zinc/27/73/68/1141277368.db2.gz JBUXGCDNSBRQNJ-CWTRNNRKSA-N -1 0 347.361 3.575 20 0 EHADRM COc1ccc2c(c1)CCCCN2C(=O)c1cc(F)c([O-])c(F)c1 ZINC000273911934 1141445058 /nfs/dbraw/zinc/44/50/58/1141445058.db2.gz ZNQGSQZZSJJCKB-UHFFFAOYSA-N -1 0 333.334 3.662 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1s[n-]c(=O)c1Cl ZINC000283176754 1141567558 /nfs/dbraw/zinc/56/75/58/1141567558.db2.gz XROPLZUPLVSBCX-VIFPVBQESA-N -1 0 340.832 3.847 20 0 EHADRM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1s[n-]c(=O)c1Cl ZINC000283262249 1141580847 /nfs/dbraw/zinc/58/08/47/1141580847.db2.gz DEVGLMOKFDDGAX-NSHDSACASA-N -1 0 342.823 3.638 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(F)c(F)c2)c1 ZINC000023371257 212372170 /nfs/dbraw/zinc/37/21/70/212372170.db2.gz GISIIXDBCIKDCP-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2cnco2)cc1)c1ccccc1Cl ZINC000119777197 221398751 /nfs/dbraw/zinc/39/87/51/221398751.db2.gz PFUXYPLOEKEFSU-UHFFFAOYSA-N -1 0 334.784 3.796 20 0 EHADRM CCC(CC)(CC(=O)N[C@H](C)c1ccccc1OC(F)F)C(=O)[O-] ZINC000298325034 521387341 /nfs/dbraw/zinc/38/73/41/521387341.db2.gz UNMGDWIGSKJQIY-LLVKDONJSA-N -1 0 343.370 3.746 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)c2cc(Cl)cc3cccnc32)CC1 ZINC000299746658 564150631 /nfs/dbraw/zinc/15/06/31/564150631.db2.gz YXOOVDXKKBZGPX-LBPRGKRZSA-N -1 0 346.814 3.605 20 0 EHADRM Cc1ccc(Sc2c3ccccc3nnc2-c2nnn[n-]2)c(C)c1 ZINC000737369455 598954541 /nfs/dbraw/zinc/95/45/41/598954541.db2.gz UIKOEADOGJNNGB-UHFFFAOYSA-N -1 0 334.408 3.578 20 0 EHADRM O=C([O-])CNC(=O)c1oc2ccccc2c1CSc1cccs1 ZINC000237935583 597021571 /nfs/dbraw/zinc/02/15/71/597021571.db2.gz DYNCHNAYYWSSIB-UHFFFAOYSA-N -1 0 347.417 3.601 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)C(c2ccccc2)c2ccccc2)C1 ZINC000533189357 597101423 /nfs/dbraw/zinc/10/14/23/597101423.db2.gz PZGNDZGUHLEBDY-MRXNPFEDSA-N -1 0 337.419 3.532 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)Nc2cccc(-c3nccs3)c2)C1 ZINC000582894797 597118574 /nfs/dbraw/zinc/11/85/74/597118574.db2.gz ISVKZARFWVBOIP-GFCCVEGCSA-N -1 0 345.424 3.529 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)Nc2ccc(CC(F)(F)F)cc2)C1 ZINC000819365184 597120966 /nfs/dbraw/zinc/12/09/66/597120966.db2.gz XLLDYAITFSJSJZ-GFCCVEGCSA-N -1 0 344.333 3.510 20 0 EHADRM COc1ccc(CNc2cccc(CC(=O)[O-])c2)c(Cl)c1OC ZINC000818591788 597137672 /nfs/dbraw/zinc/13/76/72/597137672.db2.gz WOWPSHDEQHUZAO-UHFFFAOYSA-N -1 0 335.787 3.596 20 0 EHADRM O=C([O-])Cc1cccc(NCc2ccc(CSC(F)F)o2)c1 ZINC000819579483 597138350 /nfs/dbraw/zinc/13/83/50/597138350.db2.gz AHMBYWSXGVDBBV-UHFFFAOYSA-N -1 0 327.352 3.975 20 0 EHADRM O=C([O-])Cc1cccc(NCc2ccccc2OCc2ccccn2)c1 ZINC000819579634 597138390 /nfs/dbraw/zinc/13/83/90/597138390.db2.gz JOAJXMKQXDOWOZ-UHFFFAOYSA-N -1 0 348.402 3.900 20 0 EHADRM CC(C)(C)c1ncc(/C=C/C(=O)Nc2cccc(CC(=O)[O-])c2)s1 ZINC000269131130 597158005 /nfs/dbraw/zinc/15/80/05/597158005.db2.gz BKZCSMCYVQATCY-BQYQJAHWSA-N -1 0 344.436 3.720 20 0 EHADRM CC(C)OCc1cccc(NC(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000817919249 597174076 /nfs/dbraw/zinc/17/40/76/597174076.db2.gz SVRHDDAJBFJQJE-UHFFFAOYSA-N -1 0 342.395 3.632 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737745716 597185013 /nfs/dbraw/zinc/18/50/13/597185013.db2.gz XRHWLORMSYXDGS-YOEHRIQHSA-N -1 0 338.407 3.724 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N2CCCC3(CCCCC3)C2)c1 ZINC000738623139 597194518 /nfs/dbraw/zinc/19/45/18/597194518.db2.gz BQSTYSQWIYJMBO-UHFFFAOYSA-N -1 0 330.428 3.892 20 0 EHADRM CC[C@@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)c1ccccc1OC ZINC000737782503 597201014 /nfs/dbraw/zinc/20/10/14/597201014.db2.gz GVSNNSLWFUYNSS-MRXNPFEDSA-N -1 0 342.395 3.595 20 0 EHADRM Cc1ccc([C@@H](C)N(C)C(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000738260659 597203071 /nfs/dbraw/zinc/20/30/71/597203071.db2.gz CWKFDXTVBROFMV-CQSZACIVSA-N -1 0 326.396 3.847 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)NCc2cc3ccccc3s2)c1 ZINC000738625925 597203813 /nfs/dbraw/zinc/20/38/13/597203813.db2.gz PZODKACGPKVLJF-UHFFFAOYSA-N -1 0 340.404 3.850 20 0 EHADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)NCCCCCC(=O)[O-] ZINC000315764558 597234497 /nfs/dbraw/zinc/23/44/97/597234497.db2.gz UGJFEUFYLWQQEP-GFCCVEGCSA-N -1 0 326.824 3.687 20 0 EHADRM O=C([O-])c1ccc(C[S@@](=O)Cc2cc(-c3cccs3)on2)cc1 ZINC000819687140 597286647 /nfs/dbraw/zinc/28/66/47/597286647.db2.gz IIGURJLPVVGWBR-HSZRJFAPSA-N -1 0 347.417 3.550 20 0 EHADRM Cc1c(NCc2ccc(C(=O)[O-])cc2)cccc1C(=O)N1CCCC1 ZINC000263473222 597300313 /nfs/dbraw/zinc/30/03/13/597300313.db2.gz LYSPTIDLSYTGGV-UHFFFAOYSA-N -1 0 338.407 3.541 20 0 EHADRM Cc1ccc(Oc2ccc(NCc3ccc(C(=O)[O-])cc3)cc2)nn1 ZINC000818918526 597300691 /nfs/dbraw/zinc/30/06/91/597300691.db2.gz MAMDZJMUVNIHPH-UHFFFAOYSA-N -1 0 335.363 3.888 20 0 EHADRM CCN(C(=O)NCCCC(=O)[O-])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000263509817 597306769 /nfs/dbraw/zinc/30/67/69/597306769.db2.gz YKXNYIBSOHQDBZ-LLVKDONJSA-N -1 0 346.349 3.663 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)C1(c2cccc(F)c2)CCCC1 ZINC000819597649 597317297 /nfs/dbraw/zinc/31/72/97/597317297.db2.gz GRKSLDGKHGCVTN-UHFFFAOYSA-N -1 0 341.382 3.903 20 0 EHADRM COc1ccccc1CC(C)(C)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818631122 597318319 /nfs/dbraw/zinc/31/83/19/597318319.db2.gz ALAAPMGAHRCDDI-UHFFFAOYSA-N -1 0 341.407 3.530 20 0 EHADRM CC(C)COc1ccccc1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000817875212 597318578 /nfs/dbraw/zinc/31/85/78/597318578.db2.gz QCYLFKKPKWGCLY-UHFFFAOYSA-N -1 0 327.380 3.601 20 0 EHADRM C[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818071189 597333451 /nfs/dbraw/zinc/33/34/51/597333451.db2.gz IWJCNUJTEQPRFD-GFCCVEGCSA-N -1 0 330.359 3.678 20 0 EHADRM CC(C)(CNC(=O)Nc1ccccc1CC(=O)[O-])c1ccccc1F ZINC000817842098 597336243 /nfs/dbraw/zinc/33/62/43/597336243.db2.gz QDZSEURFYZSVIZ-UHFFFAOYSA-N -1 0 344.386 3.552 20 0 EHADRM Cc1ccc(CCCNC(=O)Nc2ccccc2CC(=O)[O-])c(C)c1 ZINC000818890707 597338704 /nfs/dbraw/zinc/33/87/04/597338704.db2.gz HCMMWBHJMCZZOS-UHFFFAOYSA-N -1 0 340.423 3.685 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CC[C@H]2c2cccc(F)c2)c(F)c1 ZINC000821547511 598024419 /nfs/dbraw/zinc/02/44/19/598024419.db2.gz QMKYNBVSBAYKFM-HNNXBMFYSA-N -1 0 332.306 3.642 20 0 EHADRM Cc1cc(C(=O)Nc2ccccc2CC(=O)[O-])nn1C1CCCCC1 ZINC000820963846 598194662 /nfs/dbraw/zinc/19/46/62/598194662.db2.gz XOJUFKXPVKSYSU-UHFFFAOYSA-N -1 0 341.411 3.576 20 0 EHADRM CCC(C)(C)OCc1cccc(NC(=O)N2CCC[C@H]2C(=O)[O-])c1C ZINC000820261162 598207316 /nfs/dbraw/zinc/20/73/16/598207316.db2.gz FMWSGKRSOZWLPR-INIZCTEOSA-N -1 0 348.443 3.781 20 0 EHADRM CC[C@H](C)N(Cc1ccccc1)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000736884637 599704736 /nfs/dbraw/zinc/70/47/36/599704736.db2.gz SYEALEUEUYHOGW-LBPRGKRZSA-N -1 0 328.412 3.771 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)Nc1ccc(Br)cc1 ZINC000740046365 599706298 /nfs/dbraw/zinc/70/62/98/599706298.db2.gz VCDNJWWGKGCAHM-UHFFFAOYSA-N -1 0 335.157 3.791 20 0 EHADRM CC(C)c1ccc([C@@H](NC(=O)CCSCC(=O)[O-])C(C)C)cc1 ZINC000736512690 599706433 /nfs/dbraw/zinc/70/64/33/599706433.db2.gz MAOJJUFCHHKLED-SFHVURJKSA-N -1 0 337.485 3.831 20 0 EHADRM Cc1ccc(OCCCNc2nc(Cl)c(C(=O)[O-])s2)cc1 ZINC000738644540 599706695 /nfs/dbraw/zinc/70/66/95/599706695.db2.gz ZFMTYFCWVTWFEJ-UHFFFAOYSA-N -1 0 326.805 3.684 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(Sc3ccc(O)cc3)c12 ZINC000738362416 599706735 /nfs/dbraw/zinc/70/67/35/599706735.db2.gz RJAIHSZZBDBGBG-UHFFFAOYSA-N -1 0 332.406 3.863 20 0 EHADRM CC(C)Cc1ccc([C@@H](NC(=O)CCCNC(=O)[O-])C(C)C)cc1 ZINC000736453160 599712357 /nfs/dbraw/zinc/71/23/57/599712357.db2.gz IBERCOJIADRWFT-SFHVURJKSA-N -1 0 334.460 3.746 20 0 EHADRM COc1cccc([C@@H](C)NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000738092632 599714814 /nfs/dbraw/zinc/71/48/14/599714814.db2.gz QSIDNVVXNZDQBU-SNVBAGLBSA-N -1 0 347.346 3.807 20 0 EHADRM CCN(C(=O)CCCNC(=O)[O-])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000737053304 599718586 /nfs/dbraw/zinc/71/85/86/599718586.db2.gz QNCALOFGWUJKMR-LLVKDONJSA-N -1 0 346.349 3.663 20 0 EHADRM CSCc1ccc(NC(=O)NCCc2ccc(C(=O)[O-])cc2)cc1 ZINC000738195006 599719497 /nfs/dbraw/zinc/71/94/97/599719497.db2.gz PQRLYTYGWOQKND-UHFFFAOYSA-N -1 0 344.436 3.612 20 0 EHADRM CCCN(C(=O)CCCNC(=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000737010223 599726010 /nfs/dbraw/zinc/72/60/10/599726010.db2.gz ZZWVZBZSIOYGSB-CYBMUJFWSA-N -1 0 332.400 3.780 20 0 EHADRM C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)CCCN(C)C(=O)[O-] ZINC000736717139 599731005 /nfs/dbraw/zinc/73/10/05/599731005.db2.gz LDQWGKRWMKQIJK-LLVKDONJSA-N -1 0 346.349 3.615 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)CCSCC(=O)[O-])cc2)cc1 ZINC000738648362 599740894 /nfs/dbraw/zinc/74/08/94/599740894.db2.gz CAUZSEYJNNSXBP-UHFFFAOYSA-N -1 0 345.420 3.934 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)CCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000037448199 599742958 /nfs/dbraw/zinc/74/29/58/599742958.db2.gz IKGNUHMSIBTMEG-XPTSAGLGSA-N -1 0 332.227 3.542 20 0 EHADRM C[C@H](Sc1nnc(Cc2ccccc2F)o1)c1ccc(C(=O)[O-])o1 ZINC000736713420 599743552 /nfs/dbraw/zinc/74/35/52/599743552.db2.gz BJRUAIXGEWKCPR-VIFPVBQESA-N -1 0 348.355 3.944 20 0 EHADRM CCc1ccc([C@H](C)C(=O)Oc2cc(OC)ccc2C(=O)[O-])cc1 ZINC000737257891 599744664 /nfs/dbraw/zinc/74/46/64/599744664.db2.gz RXCAOEMEERXNNB-LBPRGKRZSA-N -1 0 328.364 3.665 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2ccccc2OCC2CC2)cc1 ZINC000740135020 599748332 /nfs/dbraw/zinc/74/83/32/599748332.db2.gz WBTRJQADXOLPGH-UHFFFAOYSA-N -1 0 326.348 3.531 20 0 EHADRM Cc1[nH]c(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)c(C)c1C(=O)[O-] ZINC000738156113 599754320 /nfs/dbraw/zinc/75/43/20/599754320.db2.gz PEEWKGJSYDKLQZ-QGZVFWFLSA-N -1 0 344.386 3.740 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)c2ccc3[nH]ccc3c2)c1 ZINC000238086152 599758388 /nfs/dbraw/zinc/75/83/88/599758388.db2.gz AMAAFDMROCGTQM-UHFFFAOYSA-N -1 0 340.404 3.738 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)c2ccccc2n1 ZINC000178258702 599766021 /nfs/dbraw/zinc/76/60/21/599766021.db2.gz LFVMJRFFUDUKLD-UHFFFAOYSA-N -1 0 334.375 3.813 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2cc3c(cccc3F)[nH]2)cc1 ZINC000238053380 599768867 /nfs/dbraw/zinc/76/88/67/599768867.db2.gz AGSWEDKWTKIMKJ-UHFFFAOYSA-N -1 0 326.327 3.577 20 0 EHADRM Cc1nc(CN(C)[C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)oc1C ZINC000738854039 599770657 /nfs/dbraw/zinc/77/06/57/599770657.db2.gz CEFSEFMXHGVPTF-CQSZACIVSA-N -1 0 343.210 3.856 20 0 EHADRM Cc1ccc(-c2cc(C(=O)NC[C@@H](C)C(=O)[O-])c3ccccc3n2)cc1 ZINC000738486669 599779459 /nfs/dbraw/zinc/77/94/59/599779459.db2.gz FVROPTYBYWNEIT-CQSZACIVSA-N -1 0 348.402 3.661 20 0 EHADRM CC[C@H](Cc1ccccc1)NC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000736908773 599788941 /nfs/dbraw/zinc/78/89/41/599788941.db2.gz YIAFLIVSYKJYSX-OAHLLOKOSA-N -1 0 326.396 3.836 20 0 EHADRM O=C([O-])c1coc(CN2CCc3[nH]c4ccc(Cl)cc4c3C2)c1 ZINC000740267735 599796228 /nfs/dbraw/zinc/79/62/28/599796228.db2.gz JQBLNGRZKOCOAY-UHFFFAOYSA-N -1 0 330.771 3.671 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2CC=CCC2)c(OCC(F)(F)F)c1 ZINC000621552728 599798684 /nfs/dbraw/zinc/79/86/84/599798684.db2.gz AWWYJKDIWRLZJX-JTQLQIEISA-N -1 0 343.301 3.621 20 0 EHADRM O=C([O-])NCCC(=O)O[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000739948106 599800274 /nfs/dbraw/zinc/80/02/74/599800274.db2.gz GTJDLEXFVMTZQV-INIZCTEOSA-N -1 0 333.771 3.630 20 0 EHADRM O=C([O-])c1ccc2c(=O)[nH]c(C=Cc3ccc(O)c(Cl)c3)nc2c1 ZINC000740188582 599801526 /nfs/dbraw/zinc/80/15/26/599801526.db2.gz COHQMETYECGZSD-KXFIGUGUSA-N -1 0 342.738 3.563 20 0 EHADRM O=C([O-])c1sccc1NC(=O)/C=C/c1ccc(F)c(Cl)c1 ZINC000036977644 599803056 /nfs/dbraw/zinc/80/30/56/599803056.db2.gz CMCMEJPAKPJHKC-DUXPYHPUSA-N -1 0 325.748 3.891 20 0 EHADRM O=C([O-])c1coc(CSc2nnc(-c3c[nH]c4ccccc43)o2)c1 ZINC000740270133 599803352 /nfs/dbraw/zinc/80/33/52/599803352.db2.gz YHHZFUJEJMAGHK-UHFFFAOYSA-N -1 0 341.348 3.801 20 0 EHADRM CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000736380586 599806461 /nfs/dbraw/zinc/80/64/61/599806461.db2.gz HHCFICPQKCWHAF-MRXNPFEDSA-N -1 0 328.368 3.710 20 0 EHADRM Cc1cc(C(=O)N(C)CCCC(=O)[O-])sc1-c1ccc(F)cc1 ZINC000237020813 599808407 /nfs/dbraw/zinc/80/84/07/599808407.db2.gz OEPHABIOHPQBGK-UHFFFAOYSA-N -1 0 335.400 3.799 20 0 EHADRM O=C([O-])CNc1ccc(OCc2cccc(C(F)(F)F)c2)cc1 ZINC000738617941 599809542 /nfs/dbraw/zinc/80/95/42/599809542.db2.gz XNAHYNSDOOWAHK-UHFFFAOYSA-N -1 0 325.286 3.781 20 0 EHADRM Cc1oc(COC(=O)C[C@@H]2CCCc3ccccc32)cc1C(=O)[O-] ZINC000738983605 599811726 /nfs/dbraw/zinc/81/17/26/599811726.db2.gz SHRDSGNLQNHUFL-AWEZNQCLSA-N -1 0 328.364 3.840 20 0 EHADRM CCCCC[C@@H](NC(=O)NC1CCN(C(=O)[O-])CC1)c1ccccc1 ZINC000736984528 599815895 /nfs/dbraw/zinc/81/58/95/599815895.db2.gz LSWMLOWPLFMHSS-QGZVFWFLSA-N -1 0 347.459 3.750 20 0 EHADRM Cc1cc(C(=O)N2CCC(C(=O)[O-])CC2)sc1-c1ccc(F)cc1 ZINC000237677293 599816709 /nfs/dbraw/zinc/81/67/09/599816709.db2.gz AKFBGFIPIAFAMY-UHFFFAOYSA-N -1 0 347.411 3.799 20 0 EHADRM CCCN(CCc1ccccn1)C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000737020168 599817954 /nfs/dbraw/zinc/81/79/54/599817954.db2.gz SINFIYGSWKOTJX-UHFFFAOYSA-N -1 0 341.411 3.575 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)N2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000740043806 599819794 /nfs/dbraw/zinc/81/97/94/599819794.db2.gz YFVIVILOMRXPPX-CYBMUJFWSA-N -1 0 343.358 3.937 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N[C@@H]2CCc3c2cccc3F)cc1 ZINC000738599122 599823818 /nfs/dbraw/zinc/82/38/18/599823818.db2.gz QCBJWUVXQULSRO-QGZVFWFLSA-N -1 0 342.370 3.652 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000325421876 599824678 /nfs/dbraw/zinc/82/46/78/599824678.db2.gz XCFNGLIBEZRALN-CQSZACIVSA-N -1 0 326.396 3.895 20 0 EHADRM C[C@H](c1cccs1)N(C)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000390947386 599826103 /nfs/dbraw/zinc/82/61/03/599826103.db2.gz GCXMZPVILZVRLR-GFCCVEGCSA-N -1 0 332.425 3.990 20 0 EHADRM CN(C(=O)CCCSc1ccc(Cl)cc1)C(C)(C)C(=O)[O-] ZINC000061150283 599827966 /nfs/dbraw/zinc/82/79/66/599827966.db2.gz YTCAUQPDTCPVNN-UHFFFAOYSA-N -1 0 329.849 3.534 20 0 EHADRM CCCc1ccc(C(=O)N(CC(=O)[O-])Cc2ccc(F)c(F)c2)cc1 ZINC000737045106 599832532 /nfs/dbraw/zinc/83/25/32/599832532.db2.gz NQHDYHUYVOTJKQ-UHFFFAOYSA-N -1 0 347.361 3.644 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)N(C)c2ccccc2C(=O)[O-])cc1C ZINC000738251285 599837045 /nfs/dbraw/zinc/83/70/45/599837045.db2.gz KHAPJHUZIPPGTM-UHFFFAOYSA-N -1 0 339.391 3.628 20 0 EHADRM CN(C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)c1ccccc1C(=O)[O-] ZINC000737315837 599837498 /nfs/dbraw/zinc/83/74/98/599837498.db2.gz YXKGIXZWHXSJKW-GJZGRUSLSA-N -1 0 329.783 3.805 20 0 EHADRM CCCN(Cn1nc(C(=O)[O-])c(Cl)c1C)[C@@H]1CCc2ccccc21 ZINC000737021624 599841315 /nfs/dbraw/zinc/84/13/15/599841315.db2.gz ZHMCQLKYKQXCGT-OAHLLOKOSA-N -1 0 347.846 3.900 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)c1cc(F)c(Cl)nc1Cl ZINC000739485128 599842955 /nfs/dbraw/zinc/84/29/55/599842955.db2.gz MDOSWRDIBKIGHQ-UHFFFAOYSA-N -1 0 347.104 3.617 20 0 EHADRM O=C([O-])c1n[nH]c2ccc(NC(=O)C[C@@H]3CCCc4ccccc43)cc21 ZINC000739223736 599843007 /nfs/dbraw/zinc/84/30/07/599843007.db2.gz SMEVYKRETOKICC-ZDUSSCGKSA-N -1 0 349.390 3.710 20 0 EHADRM CC(C)c1ccc(CCC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000236639272 599858811 /nfs/dbraw/zinc/85/88/11/599858811.db2.gz XLHKQAXIRCLDLJ-LJQANCHMSA-N -1 0 339.435 3.555 20 0 EHADRM Cc1ccc(C)c2sc(NC(=O)[C@H](CC(C)C)NC(=O)[O-])nc21 ZINC000738578666 599863062 /nfs/dbraw/zinc/86/30/62/599863062.db2.gz HJCWBGSDVNNFJY-NSHDSACASA-N -1 0 335.429 3.534 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)N[C@H]1CCCN(C(=O)[O-])C1)c1ccccc1 ZINC000736252070 599870129 /nfs/dbraw/zinc/87/01/29/599870129.db2.gz YARNWSWDJLZGHT-HOTGVXAUSA-N -1 0 347.459 3.606 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)Cc1ccccc1C(F)(F)F ZINC000738962649 599871394 /nfs/dbraw/zinc/87/13/94/599871394.db2.gz DCAXJGIJRRGTAW-UHFFFAOYSA-N -1 0 342.269 3.591 20 0 EHADRM O=C([O-])c1coc(COC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000740266848 599877797 /nfs/dbraw/zinc/87/77/97/599877797.db2.gz APIDHHFSDGLASB-UHFFFAOYSA-N -1 0 336.343 3.853 20 0 EHADRM O=C([O-])c1coc(COC(=O)C2(c3cccc(F)c3)CCCC2)c1 ZINC000740268087 599881241 /nfs/dbraw/zinc/88/12/41/599881241.db2.gz PVRQGKLEUQGLRL-UHFFFAOYSA-N -1 0 332.327 3.672 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)OCc1cc(C(=O)[O-])co1 ZINC000736717040 599883341 /nfs/dbraw/zinc/88/33/41/599883341.db2.gz NKEYFMOJAISUHT-SECBINFHSA-N -1 0 340.784 3.855 20 0 EHADRM O=C([O-])c1coc(COC(=O)c2[nH]c3ccc(F)cc3c2Cl)c1 ZINC000740269035 599884272 /nfs/dbraw/zinc/88/42/72/599884272.db2.gz ZZOXKDFSIFETRH-UHFFFAOYSA-N -1 0 337.690 3.609 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)Nc1ccc2oc3ccccc3c2c1 ZINC000736373905 599887827 /nfs/dbraw/zinc/88/78/27/599887827.db2.gz CZRNQYQDOHEZCW-INIZCTEOSA-N -1 0 326.352 3.817 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Oc2cccc(Br)c2)c1 ZINC000740040306 599893095 /nfs/dbraw/zinc/89/30/95/599893095.db2.gz UBCBQGKGPJJOKW-UHFFFAOYSA-N -1 0 336.141 3.758 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)[C@@H](NC(=O)[O-])C(C)C)cc2s1 ZINC000736524719 599896609 /nfs/dbraw/zinc/89/66/09/599896609.db2.gz OVWPUMSPCUBFDJ-ZDUSSCGKSA-N -1 0 335.429 3.650 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000237188273 599899505 /nfs/dbraw/zinc/89/95/05/599899505.db2.gz MVJHPZDQGUNMEZ-YOEHRIQHSA-N -1 0 341.407 3.521 20 0 EHADRM CCCN(Cc1ccc(F)cc1)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000737019716 599902977 /nfs/dbraw/zinc/90/29/77/599902977.db2.gz KNFRTHDKUWGMKH-UHFFFAOYSA-N -1 0 330.359 3.968 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)OCc1occc1C(=O)[O-] ZINC000736890882 599903928 /nfs/dbraw/zinc/90/39/28/599903928.db2.gz JKYIDGDQPUORBR-YXVBKTCISA-N -1 0 344.363 3.912 20 0 EHADRM Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000738687928 599909884 /nfs/dbraw/zinc/90/98/84/599909884.db2.gz GFNITSWNBVFLBD-CQSZACIVSA-N -1 0 342.395 3.591 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)C[C@@H](C)c2ccccc2F)c1 ZINC000737940442 599912732 /nfs/dbraw/zinc/91/27/32/599912732.db2.gz RFFCMSDBQRKQPZ-LLVKDONJSA-N -1 0 332.327 3.632 20 0 EHADRM Cc1ccc(C(C)(C)CNC(=O)c2ccc(NC(=O)[O-])cc2)cc1 ZINC000738261759 599914109 /nfs/dbraw/zinc/91/41/09/599914109.db2.gz RGHLHJIAWFIYTE-UHFFFAOYSA-N -1 0 326.396 3.793 20 0 EHADRM Cc1ccc(-c2csc(NC(=O)c3cccc(C(=O)[O-])n3)n2)s1 ZINC000738491714 599919094 /nfs/dbraw/zinc/91/90/94/599919094.db2.gz AUFHFVOIWCASQU-UHFFFAOYSA-N -1 0 345.405 3.526 20 0 EHADRM C[C@H](CN(C(=O)/C=C/c1ccc(C(C)(C)C)cc1)C1CC1)C(=O)[O-] ZINC000237368345 599919184 /nfs/dbraw/zinc/91/91/84/599919184.db2.gz MDBFQZPRCVUUDC-WEKMIXOTSA-N -1 0 329.440 3.709 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)CCc2ccccc2)c1 ZINC000238071346 599921846 /nfs/dbraw/zinc/92/18/46/599921846.db2.gz BZRKOHCAGMKDSC-UHFFFAOYSA-N -1 0 329.421 3.576 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(c1nc(C(F)F)nc3ccccc31)C2 ZINC000740202468 599923556 /nfs/dbraw/zinc/92/35/56/599923556.db2.gz HXTYPAAFJGSZQM-UHFFFAOYSA-N -1 0 341.317 3.786 20 0 EHADRM CC(C)Oc1ccccc1C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000736494235 599928356 /nfs/dbraw/zinc/92/83/56/599928356.db2.gz KDWBSLIGQOYMPU-UHFFFAOYSA-N -1 0 335.306 3.703 20 0 EHADRM CN(C)c1ccc(NC(=O)c2cccc(NC(=O)[O-])c2)cc1Cl ZINC000737375421 599932450 /nfs/dbraw/zinc/93/24/50/599932450.db2.gz GVPTUPIFLCLYQV-UHFFFAOYSA-N -1 0 333.775 3.748 20 0 EHADRM Cc1ccc(C(=O)OCc2c3ccccc3sc2C(=O)[O-])cn1 ZINC000738547287 599944686 /nfs/dbraw/zinc/94/46/86/599944686.db2.gz UBGSABOPCKJZQF-UHFFFAOYSA-N -1 0 327.361 3.660 20 0 EHADRM Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000237640828 599950381 /nfs/dbraw/zinc/95/03/81/599950381.db2.gz FCYLERGAAIPHQD-UHFFFAOYSA-N -1 0 339.391 3.912 20 0 EHADRM CCc1ccc([C@@H](C)NC(=O)CNc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000737258214 599960889 /nfs/dbraw/zinc/96/08/89/599960889.db2.gz YYTWIFCRDPGCBS-CQSZACIVSA-N -1 0 340.423 3.545 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)CNc2ccc(C(=O)[O-])c(C)c2)cc1C ZINC000738550417 599961221 /nfs/dbraw/zinc/96/12/21/599961221.db2.gz DYKZMFSPAIGGBI-OAHLLOKOSA-N -1 0 340.423 3.599 20 0 EHADRM CCc1cccc(C)c1NC(=O)CNc1ccc(C(=O)[O-])c(C)c1 ZINC000737268069 599961940 /nfs/dbraw/zinc/96/19/40/599961940.db2.gz YZBRGELBBCCNCA-UHFFFAOYSA-N -1 0 326.396 3.615 20 0 EHADRM CC(C)COc1ccccc1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000736447456 599972563 /nfs/dbraw/zinc/97/25/63/599972563.db2.gz AGDCIUYEWUPEFC-UHFFFAOYSA-N -1 0 341.407 3.991 20 0 EHADRM CC(C)COc1ccccc1C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000736449050 599979387 /nfs/dbraw/zinc/97/93/87/599979387.db2.gz XGFQQTKEFAAVKC-GFCCVEGCSA-N -1 0 332.352 3.931 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc2ccccc2c1)c1cc(F)ccc1F ZINC000739370067 599980133 /nfs/dbraw/zinc/98/01/33/599980133.db2.gz CPWMSSQHUXYVNY-QGZVFWFLSA-N -1 0 341.313 3.674 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)c1cc(C2CC2)nc2ccccc21 ZINC000236749066 599985614 /nfs/dbraw/zinc/98/56/14/599985614.db2.gz LNRJWMWPLRJECF-UHFFFAOYSA-N -1 0 340.423 3.685 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N[C@H](c2ccccc2)c2cccnc2)c1 ZINC000739480390 599987687 /nfs/dbraw/zinc/98/76/87/599987687.db2.gz PWJPQJXSQAABEO-GOSISDBHSA-N -1 0 347.374 3.691 20 0 EHADRM CCc1ccc(O)c(C(=O)Nc2cccc(CSCC(=O)[O-])c2)c1 ZINC000737267752 599991214 /nfs/dbraw/zinc/99/12/14/599991214.db2.gz IGQBRZPYKZKMGJ-UHFFFAOYSA-N -1 0 345.420 3.525 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)/C=C\c2ccccc2Cl)c1 ZINC000391377354 599998570 /nfs/dbraw/zinc/99/85/70/599998570.db2.gz YDECWAQUKCFZQF-TWGQIWQCSA-N -1 0 331.755 3.699 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)/C=C/c2ccc(Cl)s2)c1 ZINC000388446041 600002159 /nfs/dbraw/zinc/00/21/59/600002159.db2.gz FLMDMIXELCDUIH-QPJJXVBHSA-N -1 0 337.784 3.760 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)CSCc2cccc(C)c2)c1 ZINC000325385780 600002164 /nfs/dbraw/zinc/00/21/64/600002164.db2.gz BCKXQMDKFIAZPJ-UHFFFAOYSA-N -1 0 345.420 3.574 20 0 EHADRM CC(C)[C@H](Sc1ccccc1)C(=O)OCc1ccc(C(=O)[O-])o1 ZINC000736389279 600007653 /nfs/dbraw/zinc/00/76/53/600007653.db2.gz AOHKNOXHMBGXBQ-HNNXBMFYSA-N -1 0 334.393 3.838 20 0 EHADRM Cc1cccc2[nH]cc(CCNC(=O)Nc3ccc(C(=O)[O-])cc3)c21 ZINC000738311060 600008067 /nfs/dbraw/zinc/00/80/67/600008067.db2.gz PHOLUDRMKGHJAK-UHFFFAOYSA-N -1 0 337.379 3.539 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)C(=O)c1ccc(Cl)cc1 ZINC000739472033 600008753 /nfs/dbraw/zinc/00/87/53/600008753.db2.gz LXIGJVNQYQUZOR-UHFFFAOYSA-N -1 0 338.146 3.513 20 0 EHADRM CCc1ccc([C@H](C)NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000737259613 600013204 /nfs/dbraw/zinc/01/32/04/600013204.db2.gz VDEIIPITOCRMML-ZDUSSCGKSA-N -1 0 338.407 3.734 20 0 EHADRM CC(C)[C@@H]1CCCN1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000736397110 600018344 /nfs/dbraw/zinc/01/83/44/600018344.db2.gz ZSKZYUMRVJBCFE-HNNXBMFYSA-N -1 0 336.457 3.657 20 0 EHADRM CCCCCCOc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000013170685 600019945 /nfs/dbraw/zinc/01/99/45/600019945.db2.gz YWTIPNAGBVQHIM-INIZCTEOSA-N -1 0 333.428 3.583 20 0 EHADRM CC(C)(C)[C@@H]1CCc2sc(C(=O)N3CCC[C@H](C(=O)[O-])C3)cc2C1 ZINC000236672117 600020385 /nfs/dbraw/zinc/02/03/85/600020385.db2.gz RMJRFFKGWZTODM-GXTWGEPZSA-N -1 0 349.496 3.836 20 0 EHADRM Cc1cccc(CNC(=O)Nc2cccc(CSCC(=O)[O-])c2)c1 ZINC000738717427 600021972 /nfs/dbraw/zinc/02/19/72/600021972.db2.gz JLQKEXZJNMGBSX-UHFFFAOYSA-N -1 0 344.436 3.635 20 0 EHADRM Cc1cc(NC(=O)N(CCc2ccccc2)C2CC2)ccc1C(=O)[O-] ZINC000738437914 600032025 /nfs/dbraw/zinc/03/20/25/600032025.db2.gz LOLJWTZIOLZINJ-UHFFFAOYSA-N -1 0 338.407 3.932 20 0 EHADRM CN(C(=O)CCc1ccc(C(=O)[O-])cc1)[C@@H]1CCCc2ccccc21 ZINC000237263691 600034915 /nfs/dbraw/zinc/03/49/15/600034915.db2.gz HTPRMCHLDQMTFX-LJQANCHMSA-N -1 0 337.419 3.853 20 0 EHADRM COc1ccc(NCc2cc(C(=O)[O-])c(C)o2)c(Br)c1 ZINC000738038359 600035415 /nfs/dbraw/zinc/03/54/15/600035415.db2.gz FJGBJVHDJSIXHK-UHFFFAOYSA-N -1 0 340.173 3.669 20 0 EHADRM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2cc(C(=O)[O-])ccc2Cl)c1 ZINC000738096510 600035492 /nfs/dbraw/zinc/03/54/92/600035492.db2.gz PBHIZUYJQASRFK-UONOGXRCSA-N -1 0 345.782 3.789 20 0 EHADRM CCOc1ccccc1[C@H](C)NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000263523287 600037830 /nfs/dbraw/zinc/03/78/30/600037830.db2.gz IJHPPIOFKQRTPN-AWEZNQCLSA-N -1 0 341.407 3.594 20 0 EHADRM CC(C)[C@H](CNC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000236657962 600038108 /nfs/dbraw/zinc/03/81/08/600038108.db2.gz SAXMHUWATAVPJC-IBGZPJMESA-N -1 0 339.435 3.873 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000736763326 600038518 /nfs/dbraw/zinc/03/85/18/600038518.db2.gz OCLOGKASLPKKOW-JLSDUUJJSA-N -1 0 331.456 3.894 20 0 EHADRM CC[C@@](C)(NC(=O)c1ccc(-c2ccc(C)cc2)cc1F)C(=O)[O-] ZINC000362338057 600038669 /nfs/dbraw/zinc/03/86/69/600038669.db2.gz AHFMBTODCQNGNR-LJQANCHMSA-N -1 0 329.371 3.784 20 0 EHADRM CCCCOc1ccc(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000326883447 600041954 /nfs/dbraw/zinc/04/19/54/600041954.db2.gz DTESGBDRLGTTNE-UHFFFAOYSA-N -1 0 339.391 3.720 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1cccc(C(F)(F)F)c1)C2 ZINC000326343027 600042012 /nfs/dbraw/zinc/04/20/12/600042012.db2.gz LPZZWXZFIIFCSM-UHFFFAOYSA-N -1 0 335.281 3.560 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)/C=C/c1ccccc1Cl)C2 ZINC000321550908 600045131 /nfs/dbraw/zinc/04/51/31/600045131.db2.gz AMQZQWNNUKZMQG-BQYQJAHWSA-N -1 0 327.767 3.594 20 0 EHADRM CC(=O)CCc1ccc(OC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000736126629 600056033 /nfs/dbraw/zinc/05/60/33/600056033.db2.gz PVRFRFWLBUBLSI-UHFFFAOYSA-N -1 0 327.336 3.517 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Oc2c(F)c(F)cc(F)c2F)c1 ZINC000740040791 600056562 /nfs/dbraw/zinc/05/65/62/600056562.db2.gz XMRJULNJRUSHLK-UHFFFAOYSA-N -1 0 329.205 3.552 20 0 EHADRM CC(C)Sc1ccc([C@H](C)NC(=S)NCCCC(=O)[O-])cc1 ZINC000736498911 600059000 /nfs/dbraw/zinc/05/90/00/600059000.db2.gz JTQFVZNQDOLJES-LBPRGKRZSA-N -1 0 340.514 3.577 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)ccc1F ZINC000237794665 600063193 /nfs/dbraw/zinc/06/31/93/600063193.db2.gz RPWRLZAZQYRNNF-UHFFFAOYSA-N -1 0 333.384 3.704 20 0 EHADRM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ccccc1Oc1ccccc1Cl ZINC000485664766 600063215 /nfs/dbraw/zinc/06/32/15/600063215.db2.gz CWENJCLSLAULSB-QWRGUYRKSA-N -1 0 331.755 3.792 20 0 EHADRM COc1ccc(NC(=O)c2cc(SC)ccc2C)c(C(=O)[O-])c1 ZINC000322078419 600072349 /nfs/dbraw/zinc/07/23/49/600072349.db2.gz OOKGBHXWOJHQKF-UHFFFAOYSA-N -1 0 331.393 3.676 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OCC(=O)NC1CCCCCCC1 ZINC000013083514 600080088 /nfs/dbraw/zinc/08/00/88/600080088.db2.gz CSQAIHGCSREMEX-UHFFFAOYSA-N -1 0 339.819 3.646 20 0 EHADRM O=C([O-])c1cc(F)ccc1CN(Cc1ccco1)Cc1ccco1 ZINC000740075358 600083474 /nfs/dbraw/zinc/08/34/74/600083474.db2.gz MBOYXZLXFNGFKU-UHFFFAOYSA-N -1 0 329.327 3.912 20 0 EHADRM Cc1ccccc1N(C(C)C)S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000738778720 600084040 /nfs/dbraw/zinc/08/40/40/600084040.db2.gz SZXZKLDPGIMQBP-UHFFFAOYSA-N -1 0 347.436 3.605 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)NCCCc2cccc(F)c2)cc1 ZINC000739760204 600097621 /nfs/dbraw/zinc/09/76/21/600097621.db2.gz NUSASPIODUCPSZ-UHFFFAOYSA-N -1 0 344.386 3.597 20 0 EHADRM C[C@H](c1ccc(C(=O)[O-])o1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000570851695 600102002 /nfs/dbraw/zinc/10/20/02/600102002.db2.gz MTVXYYWRMXMQLQ-BDJLRTHQSA-N -1 0 335.787 3.766 20 0 EHADRM CC(C)Sc1ccc([C@@H](C)NC(=O)NCCCCC(=O)[O-])cc1 ZINC000666526466 600108716 /nfs/dbraw/zinc/10/87/16/600108716.db2.gz PWPORXSOQJDMJM-CYBMUJFWSA-N -1 0 338.473 3.802 20 0 EHADRM COc1ccccc1C/C(C)=C\C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000738123767 600108863 /nfs/dbraw/zinc/10/88/63/600108863.db2.gz HWBDAIZYHJCTOW-YLGBQOPLSA-N -1 0 344.363 3.780 20 0 EHADRM O=C([O-])[C@H]1C[C@H]1c1nc(-c2ccc(COc3ccccc3)cc2)no1 ZINC000739560005 600108934 /nfs/dbraw/zinc/10/89/34/600108934.db2.gz KXBMIAVDLKMWSG-CVEARBPZSA-N -1 0 336.347 3.504 20 0 EHADRM Cc1ccccc1OCCCc1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000738785887 600111651 /nfs/dbraw/zinc/11/16/51/600111651.db2.gz XQXRMBWENRZFFE-UHFFFAOYSA-N -1 0 338.363 3.755 20 0 EHADRM C[C@H]1c2ccccc2CCN1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000736840881 600112437 /nfs/dbraw/zinc/11/24/37/600112437.db2.gz TUQZZMZKYUSZBD-NSHDSACASA-N -1 0 328.343 3.675 20 0 EHADRM COc1ccc(CCCc2nc(-c3ccc(C(=O)[O-])cc3)no2)cc1 ZINC000737991684 600112737 /nfs/dbraw/zinc/11/27/37/600112737.db2.gz FDPYQNCYVDDHSV-UHFFFAOYSA-N -1 0 338.363 3.619 20 0 EHADRM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 ZINC000485653628 600113109 /nfs/dbraw/zinc/11/31/09/600113109.db2.gz JAYCKCKLLBYXJM-CABCVRRESA-N -1 0 345.782 3.578 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)C1(c2cccc(F)c2)CCC1 ZINC000740077728 600113255 /nfs/dbraw/zinc/11/32/55/600113255.db2.gz HLIWOBHXYMKTGU-UHFFFAOYSA-N -1 0 346.329 3.828 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)c1cc2cc(F)ccc2[nH]1 ZINC000740289785 600113278 /nfs/dbraw/zinc/11/32/78/600113278.db2.gz JURHPXSQHRXEFC-UHFFFAOYSA-N -1 0 331.274 3.501 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)N2CCCc3ccccc3C2)c1 ZINC000740042396 600114062 /nfs/dbraw/zinc/11/40/62/600114062.db2.gz HUHDUZQNBYFDDN-UHFFFAOYSA-N -1 0 325.368 3.757 20 0 EHADRM C[C@@H]1c2ccccc2CCN1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000736840276 600115943 /nfs/dbraw/zinc/11/59/43/600115943.db2.gz LHEJSKXTUIHAMP-CQSZACIVSA-N -1 0 338.407 3.855 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000738114761 600116600 /nfs/dbraw/zinc/11/66/00/600116600.db2.gz DXOIKWNGCADOTC-UHFFFAOYSA-N -1 0 346.354 3.554 20 0 EHADRM C[C@@H](OC(=O)c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)[O-] ZINC000736699141 600117496 /nfs/dbraw/zinc/11/74/96/600117496.db2.gz RIKUZAKSKHZGAD-LLVKDONJSA-N -1 0 334.755 3.549 20 0 EHADRM Cc1ccc(C(C)(C)C(=O)OCc2ccc(F)cc2C(=O)[O-])cc1 ZINC000738547206 600117896 /nfs/dbraw/zinc/11/78/96/600117896.db2.gz RISBRGPAWIFMMD-UHFFFAOYSA-N -1 0 330.355 3.853 20 0 EHADRM CSc1ccc(C(=O)Oc2ccc(C(=O)[O-])cc2C(C)=O)cc1 ZINC000738199691 600123633 /nfs/dbraw/zinc/12/36/33/600123633.db2.gz QAYHHQZVFXRDCR-UHFFFAOYSA-N -1 0 330.361 3.529 20 0 EHADRM CCN(CC(C)C)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000737078091 600123978 /nfs/dbraw/zinc/12/39/78/600123978.db2.gz IRGSSXJNNNJKQC-UHFFFAOYSA-N -1 0 338.473 3.904 20 0 EHADRM Cc1cc(NC(=O)c2sc(-c3cccs3)nc2C)c(C(=O)[O-])[nH]1 ZINC000322363234 600124281 /nfs/dbraw/zinc/12/42/81/600124281.db2.gz ICJAMHMRKIOQOO-UHFFFAOYSA-N -1 0 347.421 3.767 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2cc3cc(F)ccc3[nH]2)ccc1F ZINC000740006318 600124483 /nfs/dbraw/zinc/12/44/83/600124483.db2.gz BDNLYHRNNOJRJR-UHFFFAOYSA-N -1 0 331.278 3.788 20 0 EHADRM Cc1[nH]c(C(=O)Nc2cccc(SC(F)F)c2)c(C)c1C(=O)[O-] ZINC000738155919 600125026 /nfs/dbraw/zinc/12/50/26/600125026.db2.gz FNQSRAABEDUPIU-UHFFFAOYSA-N -1 0 340.351 3.897 20 0 EHADRM O=C([O-])[C@@H]1CCCN(c2nc3ccccc3c(-c3ccccc3)n2)C1 ZINC000262163356 600125975 /nfs/dbraw/zinc/12/59/75/600125975.db2.gz TUUCGUSPRLKABF-OAHLLOKOSA-N -1 0 333.391 3.598 20 0 EHADRM CC[C@@](NC(=O)c1cc2cc(C)ccc2o1)(C(=O)[O-])c1ccccc1 ZINC000485370262 600128242 /nfs/dbraw/zinc/12/82/42/600128242.db2.gz MAPIRSPUIDQAEZ-FQEVSTJZSA-N -1 0 337.375 3.861 20 0 EHADRM Cc1ccc(OC(=O)Cc2ccccc2OC(C)C)c(C(=O)[O-])c1 ZINC000738640823 600131744 /nfs/dbraw/zinc/13/17/44/600131744.db2.gz NSIIAISCTNUIPK-UHFFFAOYSA-N -1 0 328.364 3.629 20 0 EHADRM Cc1ccc(OC(=O)c2ccc(Br)cc2)c(C(=O)[O-])c1 ZINC000738638603 600133856 /nfs/dbraw/zinc/13/38/56/600133856.db2.gz ORGDTJRNWOXSCT-UHFFFAOYSA-N -1 0 335.153 3.675 20 0 EHADRM O=C([O-])C1(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CCCC1 ZINC000237951396 600141512 /nfs/dbraw/zinc/14/15/12/600141512.db2.gz LHYNIDYLYMXWBK-NEPJUHHUSA-N -1 0 342.222 3.611 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000432009812 600143645 /nfs/dbraw/zinc/14/36/45/600143645.db2.gz YUFANQRWMTYJCL-HNNXBMFYSA-N -1 0 347.455 3.558 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000738126035 600145305 /nfs/dbraw/zinc/14/53/05/600145305.db2.gz QMWBRPMIUOLFIQ-AWEZNQCLSA-N -1 0 341.407 3.909 20 0 EHADRM Cc1ccc(F)c(NC(=S)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC000738603626 600149607 /nfs/dbraw/zinc/14/96/07/600149607.db2.gz NDUGWKRFNOSPKV-UHFFFAOYSA-N -1 0 332.400 3.960 20 0 EHADRM O=C([O-])Cc1ccc(OCc2ncc(-c3ccc(F)cc3)o2)cc1 ZINC000324810405 600155517 /nfs/dbraw/zinc/15/55/17/600155517.db2.gz CRPSZVXBCKRODD-UHFFFAOYSA-N -1 0 327.311 3.687 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccccc2C(F)(F)F)c(F)c1 ZINC000321332576 600167925 /nfs/dbraw/zinc/16/79/25/600167925.db2.gz HMKURVXIRMJBNH-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cc2ccc3c(c2)CCCC3)c(F)c1 ZINC000261645260 600167966 /nfs/dbraw/zinc/16/79/66/600167966.db2.gz IZYHZCYYJWYXSQ-UHFFFAOYSA-N -1 0 327.355 3.584 20 0 EHADRM CCN(CC)[C@@H](C(=O)OCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000737086041 600177831 /nfs/dbraw/zinc/17/78/31/600177831.db2.gz SMAPRVPOCSSVIB-GOSISDBHSA-N -1 0 341.407 3.511 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)Nc1cccc(C(=O)[O-])c1C)C(C)C ZINC000738787163 600181551 /nfs/dbraw/zinc/18/15/51/600181551.db2.gz TVEQMWLLDILHBD-MRXNPFEDSA-N -1 0 341.411 3.915 20 0 EHADRM C[C@@H]1CCC[C@H](CCNC(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC000736776195 600183336 /nfs/dbraw/zinc/18/33/36/600183336.db2.gz UKZMERYXIBLPJU-HUUCEWRRSA-N -1 0 348.443 3.878 20 0 EHADRM Cc1cc(SCc2noc(CCCC(=O)[O-])n2)nc2ccccc12 ZINC000738483025 600183501 /nfs/dbraw/zinc/18/35/01/600183501.db2.gz UWGPCHVWGWIYSH-UHFFFAOYSA-N -1 0 343.408 3.626 20 0 EHADRM CC(C)CC[C@H](NC(=O)NC1CCC(C(=O)[O-])CC1)C(C)(C)C ZINC000736427888 600186509 /nfs/dbraw/zinc/18/65/09/600186509.db2.gz GMPYRXZMTOPIFM-NRXISQOPSA-N -1 0 326.481 3.780 20 0 EHADRM CCCCC[C@H](NC(=O)NC1CCC(C(=O)[O-])CC1)C(C)(C)C ZINC000736985657 600186586 /nfs/dbraw/zinc/18/65/86/600186586.db2.gz YITUCLMTBLZRAS-NRXISQOPSA-N -1 0 326.481 3.924 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2c[nH]c(-c3ccccc3)n2)cc1Cl ZINC000739464545 600187346 /nfs/dbraw/zinc/18/73/46/600187346.db2.gz FIHRSJPMAFWGBG-UHFFFAOYSA-N -1 0 341.754 3.681 20 0 EHADRM O=C([O-])CSCCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000739849016 600189297 /nfs/dbraw/zinc/18/92/97/600189297.db2.gz IJJGDJRAIRDODP-UHFFFAOYSA-N -1 0 341.738 3.505 20 0 EHADRM C[C@@H](CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000237552809 600189567 /nfs/dbraw/zinc/18/95/67/600189567.db2.gz IVXUOZNLQLRFKG-JTQLQIEISA-N -1 0 346.314 3.564 20 0 EHADRM CC(C)CC[C@H](NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)C(C)(C)C ZINC000736429171 600189784 /nfs/dbraw/zinc/18/97/84/600189784.db2.gz SKJDTDGLNUTBKE-CABCVRRESA-N -1 0 338.492 3.734 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000362420159 600191030 /nfs/dbraw/zinc/19/10/30/600191030.db2.gz QFHDVIYHPRHOHQ-PBHICJAKSA-N -1 0 343.448 3.747 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000736619179 600192416 /nfs/dbraw/zinc/19/24/16/600192416.db2.gz WEUMTRSMOKSEIP-NSHDSACASA-N -1 0 333.384 3.891 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000345913335 600193319 /nfs/dbraw/zinc/19/33/19/600193319.db2.gz ZBGLUWXOORWHGM-MRXNPFEDSA-N -1 0 345.420 3.659 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000354179155 600194155 /nfs/dbraw/zinc/19/41/55/600194155.db2.gz MYQYXXWGCMTUSS-INIZCTEOSA-N -1 0 345.420 3.659 20 0 EHADRM C/C(=C/C(=O)Nc1ccc(OCC(=O)[O-])cc1C)c1cccc(F)c1 ZINC000236674555 600194578 /nfs/dbraw/zinc/19/45/78/600194578.db2.gz AJRAGJMNHCLVEH-XFXZXTDPSA-N -1 0 343.354 3.640 20 0 EHADRM C/C(=C\C(=O)Nc1ccc(CCC(=O)[O-])cc1)c1cccc(F)c1 ZINC000736120722 600202339 /nfs/dbraw/zinc/20/23/39/600202339.db2.gz JGDFTBOIRRIZSR-ACCUITESSA-N -1 0 327.355 3.885 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)O[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000736424542 600203039 /nfs/dbraw/zinc/20/30/39/600203039.db2.gz IHBJAIIAAVCZQG-GWCFXTLKSA-N -1 0 345.342 3.575 20 0 EHADRM C[C@H](CC(=O)N1CCCc2c(C(=O)[O-])cccc21)c1cccc(F)c1 ZINC000736544679 600206059 /nfs/dbraw/zinc/20/60/59/600206059.db2.gz IYFDFFAKJQMMHE-CYBMUJFWSA-N -1 0 341.382 3.997 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1cccs1)c1cccc(F)c1 ZINC000237510473 600206120 /nfs/dbraw/zinc/20/61/20/600206120.db2.gz OPELEIAWTXGIJI-FZMZJTMJSA-N -1 0 335.400 3.713 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)cc1 ZINC000737329930 600207501 /nfs/dbraw/zinc/20/75/01/600207501.db2.gz OXKYBKUDDAXHQP-QWHCGFSZSA-N -1 0 346.333 3.821 20 0 EHADRM CC[C@](NC(=O)C[C@H](C)c1cccc(F)c1)(C(=O)[O-])c1ccccc1 ZINC000485373052 600207928 /nfs/dbraw/zinc/20/79/28/600207928.db2.gz NKNYNOYULWWUNY-VBKZILBWSA-N -1 0 343.398 3.826 20 0 EHADRM O=C([O-])N1CCN(Cc2ccc(Oc3ccccc3F)c(F)c2)CC1 ZINC000739927304 600209138 /nfs/dbraw/zinc/20/91/38/600209138.db2.gz PORORLLMUYYQAH-UHFFFAOYSA-N -1 0 348.349 3.553 20 0 EHADRM Cc1ccc([C@H](CNC(=O)C[C@@H](C)c2ccccc2C)C(=O)[O-])cc1 ZINC000486414701 600212283 /nfs/dbraw/zinc/21/22/83/600212283.db2.gz WFZVBFPEJXQYAD-APWZRJJASA-N -1 0 339.435 3.782 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCc2ccccc2)c(OC(F)F)c1 ZINC000739258842 600213276 /nfs/dbraw/zinc/21/32/76/600213276.db2.gz DVXHQWLYTIJWPO-UHFFFAOYSA-N -1 0 335.306 3.558 20 0 EHADRM O=C([O-])c1sc(N[C@@H]2C[C@@H]2c2c(F)cccc2F)nc1Cl ZINC000740278076 600215301 /nfs/dbraw/zinc/21/53/01/600215301.db2.gz BAWGULRKGGHSQZ-YLWLKBPMSA-N -1 0 330.743 3.741 20 0 EHADRM CC(C)[C@@H](C)C(=O)OCc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000736355669 600215995 /nfs/dbraw/zinc/21/59/95/600215995.db2.gz RVGBEJRQXPDGDY-LLVKDONJSA-N -1 0 333.409 3.844 20 0 EHADRM CN(Cc1sccc1Br)[C@H](C(=O)[O-])c1ccccc1 ZINC000737499278 600216686 /nfs/dbraw/zinc/21/66/86/600216686.db2.gz BWYFGNLDRTUAFJ-ZDUSSCGKSA-N -1 0 340.242 3.768 20 0 EHADRM CCCc1cc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)sc1C ZINC000261808211 600220487 /nfs/dbraw/zinc/22/04/87/600220487.db2.gz VMQHMEVMVIVKKG-AWEZNQCLSA-N -1 0 329.421 3.838 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2cc3ccc(F)cc3s2)c2ccccc21 ZINC000325191925 600221921 /nfs/dbraw/zinc/22/19/21/600221921.db2.gz CVEKXRUMKDXTLY-CYBMUJFWSA-N -1 0 341.363 3.869 20 0 EHADRM C[C@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC000736740488 600227638 /nfs/dbraw/zinc/22/76/38/600227638.db2.gz COXXJFPWDNWAQF-FQEVSTJZSA-N -1 0 338.407 3.970 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC000736740491 600227717 /nfs/dbraw/zinc/22/77/17/600227717.db2.gz COXXJFPWDNWAQF-HXUWFJFHSA-N -1 0 338.407 3.970 20 0 EHADRM CCC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1Cc1cccs1 ZINC000736932714 600228377 /nfs/dbraw/zinc/22/83/77/600228377.db2.gz VHUGWLRQEADHML-INIZCTEOSA-N -1 0 342.420 3.763 20 0 EHADRM CCc1cccc(NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)c1 ZINC000737269388 600232196 /nfs/dbraw/zinc/23/21/96/600232196.db2.gz CJCFFYJGONFDOS-UHFFFAOYSA-N -1 0 328.368 3.747 20 0 EHADRM COC(=O)c1ccc(NC(=O)Nc2cccc(NC(=O)[O-])c2)cc1C ZINC000737692951 600233800 /nfs/dbraw/zinc/23/38/00/600233800.db2.gz HBUNIUUOHGPPAA-UHFFFAOYSA-N -1 0 343.339 3.516 20 0 EHADRM CCN(C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-])C(C)C ZINC000737060509 600236970 /nfs/dbraw/zinc/23/69/70/600236970.db2.gz VLLWQNJWLUJJGO-KRWDZBQOSA-N -1 0 342.439 3.523 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)cc1 ZINC000740132151 600239212 /nfs/dbraw/zinc/23/92/12/600239212.db2.gz DCEOBEHOROVCLM-CHWSQXEVSA-N -1 0 332.302 3.510 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CCC[C@@H]2c2ccco2)c(F)cc1F ZINC000740090438 600240739 /nfs/dbraw/zinc/24/07/39/600240739.db2.gz OBQJAVUYTVPROP-CYBMUJFWSA-N -1 0 336.294 3.625 20 0 EHADRM Cc1ccc(OC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)c(C(=O)[O-])c1 ZINC000738635573 600246050 /nfs/dbraw/zinc/24/60/50/600246050.db2.gz DSMQUYLEIDUONL-MNOVXSKESA-N -1 0 332.302 3.681 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000738084960 600248415 /nfs/dbraw/zinc/24/84/15/600248415.db2.gz KAQAGUZQLVNLEH-ZIAGYGMSSA-N -1 0 346.766 3.756 20 0 EHADRM CC(C)c1cc(C(=O)Oc2cc3ccccc3cc2C(=O)[O-])on1 ZINC000736515629 600249088 /nfs/dbraw/zinc/24/90/88/600249088.db2.gz NXGUDSKQFRWFID-UHFFFAOYSA-N -1 0 325.320 3.869 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1cccc(CSC2CCCCC2)c1 ZINC000439809546 600251759 /nfs/dbraw/zinc/25/17/59/600251759.db2.gz OWNUODYWFYFQEQ-HZPDHXFCSA-N -1 0 333.453 3.912 20 0 EHADRM Cc1cc(NC(=O)c2ccc(-c3ccccc3F)o2)c(C(=O)[O-])[nH]1 ZINC000738449097 600252937 /nfs/dbraw/zinc/25/29/37/600252937.db2.gz UCYCWPMIBZVUTG-UHFFFAOYSA-N -1 0 328.299 3.673 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C/C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC000736890889 600256409 /nfs/dbraw/zinc/25/64/09/600256409.db2.gz JRSDNLXVFTYKBB-WTNCMQEWSA-N -1 0 342.395 3.851 20 0 EHADRM CC[C@H](C)[C@H](C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccccc1 ZINC000262492561 600257446 /nfs/dbraw/zinc/25/74/46/600257446.db2.gz WVJDRKMVVOZSGJ-UAGQMJEPSA-N -1 0 329.440 3.530 20 0 EHADRM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccccc1NC(=O)[O-] ZINC000736759347 600259187 /nfs/dbraw/zinc/25/91/87/600259187.db2.gz IRKWDHHYGXGJDW-GXTWGEPZSA-N -1 0 342.370 3.934 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(Cc1cc(Br)cs1)C2 ZINC000131277170 600261353 /nfs/dbraw/zinc/26/13/53/600261353.db2.gz AWEKMZPDRCHFSG-UHFFFAOYSA-N -1 0 338.226 3.725 20 0 EHADRM CCO[C@H](C)c1nc(CN[C@](CC)(C(=O)[O-])c2ccccc2)cs1 ZINC000737156723 600261386 /nfs/dbraw/zinc/26/13/86/600261386.db2.gz FXBKPHKETPZUCQ-ACJLOTCBSA-N -1 0 348.468 3.720 20 0 EHADRM O=C([O-])CCCCNC(=O)N[C@H](Cc1ccccc1)c1cccs1 ZINC000666530556 600265656 /nfs/dbraw/zinc/26/56/56/600265656.db2.gz NSMABRWDIXOHOQ-OAHLLOKOSA-N -1 0 346.452 3.586 20 0 EHADRM CCCc1sc(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1CC ZINC000262497100 600266573 /nfs/dbraw/zinc/26/65/73/600266573.db2.gz XNNPAZMHOACGGI-ZDUSSCGKSA-N -1 0 335.469 3.590 20 0 EHADRM CC(C)(C(=O)OCc1ccc(F)cc1C(=O)[O-])c1cccc(F)c1 ZINC000736232878 600270641 /nfs/dbraw/zinc/27/06/41/600270641.db2.gz SSMIXJFNIIQJTF-UHFFFAOYSA-N -1 0 334.318 3.684 20 0 EHADRM O=C([O-])c1ccc2nc(SCCCCCn3cccn3)oc2c1 ZINC000740212989 600276291 /nfs/dbraw/zinc/27/62/91/600276291.db2.gz XZXKQJXWIQAJDF-UHFFFAOYSA-N -1 0 331.397 3.685 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N[C@@H]2CCc3ccccc3C2)c1 ZINC000325363980 600280948 /nfs/dbraw/zinc/28/09/48/600280948.db2.gz IKBGNZZFTLWAQF-OAHLLOKOSA-N -1 0 344.798 3.717 20 0 EHADRM Cc1c(Cl)c(C(=O)[O-])nn1CN1CCCC2(CCCCC2)C1 ZINC000738288857 600281023 /nfs/dbraw/zinc/28/10/23/600281023.db2.gz KICGMVFAVFZXSP-UHFFFAOYSA-N -1 0 325.840 3.547 20 0 EHADRM CN(Cc1ccc(NC(=O)CCSc2ccccc2)cc1)C(=O)[O-] ZINC000737479711 600285665 /nfs/dbraw/zinc/28/56/65/600285665.db2.gz XLXXQGDEXYDCEK-UHFFFAOYSA-N -1 0 344.436 3.917 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N[C@H]2CCc3c2cccc3F)c1 ZINC000739461532 600285958 /nfs/dbraw/zinc/28/59/58/600285958.db2.gz CYYZROVMWMKIBB-HNNXBMFYSA-N -1 0 348.761 3.986 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)NCC2Cc3ccccc3C2)c1 ZINC000739414890 600288600 /nfs/dbraw/zinc/28/86/00/600288600.db2.gz NEYGEBSRKXIMFE-UHFFFAOYSA-N -1 0 344.798 3.575 20 0 EHADRM CC(C)(C)SCCNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000398115885 600289349 /nfs/dbraw/zinc/28/93/49/600289349.db2.gz PFPYNBFZJRWIKI-UHFFFAOYSA-N -1 0 330.837 3.691 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1 ZINC000739987284 600292169 /nfs/dbraw/zinc/29/21/69/600292169.db2.gz YGUKFJQFXFUBML-UHFFFAOYSA-N -1 0 332.787 3.679 20 0 EHADRM C/C(=C/C(=O)Nc1ccc(CNC(=O)[O-])cc1)c1cccc(F)c1 ZINC000736120769 600292593 /nfs/dbraw/zinc/29/25/93/600292593.db2.gz KOMJSDPEOPLKAJ-XFXZXTDPSA-N -1 0 328.343 3.635 20 0 EHADRM C[C@@H]1CCc2c(C(=O)Nc3ccc(CNC(=O)[O-])cc3)csc2C1 ZINC000736802794 600297126 /nfs/dbraw/zinc/29/71/26/600297126.db2.gz QPCRTWLWNNRHFC-LLVKDONJSA-N -1 0 344.436 3.893 20 0 EHADRM Cc1ccc(CC(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1C ZINC000738584966 600321239 /nfs/dbraw/zinc/32/12/39/600321239.db2.gz OBJROHQYCUBOKJ-QGZVFWFLSA-N -1 0 332.783 3.868 20 0 EHADRM O=C([O-])[C@@H](OC(=O)CCSC(F)(F)F)c1cccc(Cl)c1 ZINC000739252273 600326786 /nfs/dbraw/zinc/32/67/86/600326786.db2.gz RHOASDWBQTWJMU-JTQLQIEISA-N -1 0 342.722 3.652 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccc2[nH]ccc2c1)c1cccc(Cl)c1 ZINC000740297362 600330347 /nfs/dbraw/zinc/33/03/47/600330347.db2.gz FDOJJVOPSRLKBU-HNNXBMFYSA-N -1 0 329.739 3.804 20 0 EHADRM Cc1cc(CN2[C@H](C)CO[C@@H](c3ccccc3)[C@H]2C)oc1C(=O)[O-] ZINC000738382841 600332019 /nfs/dbraw/zinc/33/20/19/600332019.db2.gz MIROAUDWGXZFFX-HBUWYVDXSA-N -1 0 329.396 3.637 20 0 EHADRM CSc1cccc(NC(=O)Nc2ccc(CNC(=O)[O-])cc2)c1 ZINC000738213363 600335027 /nfs/dbraw/zinc/33/50/27/600335027.db2.gz DNWBUVDOYJQZTL-UHFFFAOYSA-N -1 0 331.397 3.820 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000405372444 600337192 /nfs/dbraw/zinc/33/71/92/600337192.db2.gz AOYYEDHZQAKGNN-CJNGLKHVSA-N -1 0 346.427 3.583 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)C1CCCC1 ZINC000736649631 600338463 /nfs/dbraw/zinc/33/84/63/600338463.db2.gz VCELZNRZGIOKLI-VIFPVBQESA-N -1 0 342.342 3.686 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(C(=O)[O-])cc1F)Cc1ccccc1 ZINC000736321436 600339004 /nfs/dbraw/zinc/33/90/04/600339004.db2.gz COHGSZXHRHQEOZ-UHFFFAOYSA-N -1 0 344.386 3.914 20 0 EHADRM CN(Cc1ccc(NC(=O)NCCCC2CCCC2)cc1)C(=O)[O-] ZINC000737480824 600341955 /nfs/dbraw/zinc/34/19/55/600341955.db2.gz AXVKNMCGGZAWFI-UHFFFAOYSA-N -1 0 333.432 3.888 20 0 EHADRM C[C@@H]1CCC[C@@H](CNC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C1 ZINC000736774385 600347453 /nfs/dbraw/zinc/34/74/53/600347453.db2.gz GTTROKPAQLYMIC-UKRRQHHQSA-N -1 0 333.432 3.744 20 0 EHADRM Cc1ccccc1[C@@H](C)NC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000738758171 600348021 /nfs/dbraw/zinc/34/80/21/600348021.db2.gz JMUJUCJZVLJZIY-CQSZACIVSA-N -1 0 341.411 3.988 20 0 EHADRM C[C@H]1Cc2ccccc2[C@H]1NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736823908 600348131 /nfs/dbraw/zinc/34/81/31/600348131.db2.gz FXUFUDAACGXYMQ-SJCJKPOMSA-N -1 0 339.395 3.509 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)o1 ZINC000738551476 600348767 /nfs/dbraw/zinc/34/87/67/600348767.db2.gz KFDNZNJORMIBIH-GFCCVEGCSA-N -1 0 331.372 3.581 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)N2CCC[C@H]2c2ccsc2)cc1 ZINC000739987947 600352861 /nfs/dbraw/zinc/35/28/61/600352861.db2.gz IEPHSJYFHGFYRH-HNNXBMFYSA-N -1 0 345.424 3.885 20 0 EHADRM C[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736841166 600353386 /nfs/dbraw/zinc/35/33/86/600353386.db2.gz YDASUMPAIYLQNA-NSHDSACASA-N -1 0 345.424 3.667 20 0 EHADRM C[C@H]1CCC[C@@H](CCNC(=O)Nc2ccc(CNC(=O)[O-])cc2)C1 ZINC000736774157 600353426 /nfs/dbraw/zinc/35/34/26/600353426.db2.gz GTJHFPWJMIPOJG-KBPBESRZSA-N -1 0 333.432 3.792 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)N[C@@H](c2cccs2)C2CC2)cc1 ZINC000739987518 600354951 /nfs/dbraw/zinc/35/49/51/600354951.db2.gz BQHAOQMJFUQPEY-OAHLLOKOSA-N -1 0 345.424 3.789 20 0 EHADRM Cc1ccccc1[C@@H](C)NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000738759479 600357223 /nfs/dbraw/zinc/35/72/23/600357223.db2.gz YXYXAKFGFZYHPA-CYBMUJFWSA-N -1 0 327.384 3.645 20 0 EHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)Nc2ccc(CNC(=O)[O-])cc2)C1 ZINC000736393768 600357347 /nfs/dbraw/zinc/35/73/47/600357347.db2.gz ADPPWWDLQZVFSL-ZBFHGGJFSA-N -1 0 333.432 3.791 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000236938078 600367559 /nfs/dbraw/zinc/36/75/59/600367559.db2.gz IOPDJQGNGKEFDH-FIXISWKDSA-N -1 0 345.361 3.815 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)sc1C(=O)[O-] ZINC000738234016 600372669 /nfs/dbraw/zinc/37/26/69/600372669.db2.gz FRGGZPYYPDSAQM-RKDXNWHRSA-N -1 0 337.347 3.775 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)CCc1ccccc1F)c1ccccc1 ZINC000736852615 600378606 /nfs/dbraw/zinc/37/86/06/600378606.db2.gz NPVLOXJUDOOVMM-KRWDZBQOSA-N -1 0 329.371 3.655 20 0 EHADRM CC(C)c1ccccc1OCCNC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000736523484 600379009 /nfs/dbraw/zinc/37/90/09/600379009.db2.gz RYOFSZHCNCUNSU-UHFFFAOYSA-N -1 0 342.395 3.709 20 0 EHADRM C[C@H](C(=O)Nc1ccc(OCCCC(=O)[O-])cc1)c1cccs1 ZINC000237457812 600379035 /nfs/dbraw/zinc/37/90/35/600379035.db2.gz GOKMYXSHLIOHDX-LBPRGKRZSA-N -1 0 333.409 3.734 20 0 EHADRM CC[C@@](NC(=O)[C@@H](C)Cc1ccccc1F)(C(=O)[O-])c1ccccc1 ZINC000485388668 600379133 /nfs/dbraw/zinc/37/91/33/600379133.db2.gz WVZXKHIBZJTZRA-XOBRGWDASA-N -1 0 343.398 3.511 20 0 EHADRM CCOc1ccc(CC(=O)N(c2ccccc2)[C@@H](CC)C(=O)[O-])cc1 ZINC000737198665 600379788 /nfs/dbraw/zinc/37/97/88/600379788.db2.gz DVVSNPICHKLEEJ-SFHVURJKSA-N -1 0 341.407 3.524 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CCC[C@@H]2Cc2ccccc2)ccc1F ZINC000740089513 600386298 /nfs/dbraw/zinc/38/62/98/600386298.db2.gz BFMPYPGCYZGEAC-OAHLLOKOSA-N -1 0 342.370 3.763 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)ccc1F ZINC000739470715 600387148 /nfs/dbraw/zinc/38/71/48/600387148.db2.gz FERDUMJYGLMZEE-BDAKNGLRSA-N -1 0 348.296 3.767 20 0 EHADRM Cc1cccc(-c2ccc(CNC(=O)c3ccc(C(=O)[O-])nc3)cc2)c1 ZINC000605112503 600390917 /nfs/dbraw/zinc/39/09/17/600390917.db2.gz VKCLYPGCARXNLW-UHFFFAOYSA-N -1 0 346.386 3.685 20 0 EHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccsc2)cc1 ZINC000236607060 600391137 /nfs/dbraw/zinc/39/11/37/600391137.db2.gz JBXZKLPCKXHEBJ-OAHLLOKOSA-N -1 0 331.437 3.991 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)CCc2ccco2)cc1 ZINC000236610181 600391266 /nfs/dbraw/zinc/39/12/66/600391266.db2.gz ZRSIJOZEBMPCHH-KRWDZBQOSA-N -1 0 343.423 3.842 20 0 EHADRM Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)cn1 ZINC000237610927 600391279 /nfs/dbraw/zinc/39/12/79/600391279.db2.gz LYSHKFHBICXKIG-QGZVFWFLSA-N -1 0 340.423 3.633 20 0 EHADRM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000736823234 600392192 /nfs/dbraw/zinc/39/21/92/600392192.db2.gz BNWAMULRRSCGHK-YVEFUNNKSA-N -1 0 339.395 3.856 20 0 EHADRM O=C([O-])[C@H](c1ccccc1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000566509425 600397370 /nfs/dbraw/zinc/39/73/70/600397370.db2.gz FCBZAUJYEDWERR-IRXDYDNUSA-N -1 0 331.799 3.539 20 0 EHADRM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000736825655 600403594 /nfs/dbraw/zinc/40/35/94/600403594.db2.gz OJMBCTPLVOZIQM-YJYMSZOUSA-N -1 0 338.407 3.759 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)C(C)C ZINC000736914582 600408367 /nfs/dbraw/zinc/40/83/67/600408367.db2.gz WAVQWSASEYAWOO-SNVBAGLBSA-N -1 0 330.331 3.542 20 0 EHADRM Cc1nn(C)c(C)c1[C@H]1CCCN1[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000738907774 600408465 /nfs/dbraw/zinc/40/84/65/600408465.db2.gz AXULGMFVNHIOSX-NVXWUHKLSA-N -1 0 347.846 3.653 20 0 EHADRM Cc1[nH]c(C(=O)N2C[C@@H](c3ccccc3C)C[C@H]2C)c(C)c1C(=O)[O-] ZINC000738319065 600412000 /nfs/dbraw/zinc/41/20/00/600412000.db2.gz DTCDZSJZEUSJPC-DOMZBBRYSA-N -1 0 340.423 3.656 20 0 EHADRM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC000348437527 600415450 /nfs/dbraw/zinc/41/54/50/600415450.db2.gz NMARQCWZUSFAFH-RDTXWAMCSA-N -1 0 338.407 3.702 20 0 EHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(Cl)c[nH]2)cc1 ZINC000236605974 600415835 /nfs/dbraw/zinc/41/58/35/600415835.db2.gz CZBBPGXUQNSTNT-CQSZACIVSA-N -1 0 348.830 3.911 20 0 EHADRM COc1ccc2cc(/C=C\C(=O)NC(C)(C)CCC(=O)[O-])ccc2c1 ZINC000738078152 600416157 /nfs/dbraw/zinc/41/61/57/600416157.db2.gz APXDDLJYUCQKST-UITAMQMPSA-N -1 0 341.407 3.621 20 0 EHADRM CC(=O)Nc1cc(N[C@@H](C(=O)[O-])c2cccc(Cl)c2)ccc1C ZINC000736160396 600424110 /nfs/dbraw/zinc/42/41/10/600424110.db2.gz CYNHRGOFPKFZAU-MRXNPFEDSA-N -1 0 332.787 3.845 20 0 EHADRM CCOc1cc(N[C@@H](C(=O)[O-])c2cccc(Cl)c2)ccc1OC ZINC000737191396 600425454 /nfs/dbraw/zinc/42/54/54/600425454.db2.gz KTLOTNXMRYFGRX-MRXNPFEDSA-N -1 0 335.787 3.985 20 0 EHADRM COc1ccc(NC(=O)C[C@@H]2CCc3ccccc3C2)c(C(=O)[O-])c1 ZINC000738027994 600426861 /nfs/dbraw/zinc/42/68/61/600426861.db2.gz KZEUMQIMFWPZHQ-CYBMUJFWSA-N -1 0 339.391 3.527 20 0 EHADRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])ccn2)c(C)n1C1CCCCC1 ZINC000738335211 600433546 /nfs/dbraw/zinc/43/35/46/600433546.db2.gz DNKRPWBLBCVWGA-UHFFFAOYSA-N -1 0 341.411 3.956 20 0 EHADRM Cc1nc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)nc2ccccc12 ZINC000738857908 600433806 /nfs/dbraw/zinc/43/38/06/600433806.db2.gz XFYDUHNKUQXTKW-KRWDZBQOSA-N -1 0 341.798 3.507 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1csc2c1CCCC2)c1ccc(F)cc1 ZINC000740291587 600448044 /nfs/dbraw/zinc/44/80/44/600448044.db2.gz MKCMEBGIOBZTHA-HNNXBMFYSA-N -1 0 334.368 3.749 20 0 EHADRM CC[C@@H]1c2ccccc2CCN1CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000736949613 600448392 /nfs/dbraw/zinc/44/83/92/600448392.db2.gz KZCREVPWXOIVBQ-MRXNPFEDSA-N -1 0 340.423 3.522 20 0 EHADRM CN(C(=O)c1ccc(Oc2ccc(F)cc2F)cc1)C(C)(C)C(=O)[O-] ZINC000362341795 600449306 /nfs/dbraw/zinc/44/93/06/600449306.db2.gz XWSMGHPGLSAYIX-UHFFFAOYSA-N -1 0 349.333 3.692 20 0 EHADRM Cc1cc(C)cc(OCCC(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000738363319 600449369 /nfs/dbraw/zinc/44/93/69/600449369.db2.gz FIUCRBNODNRCGS-SFHVURJKSA-N -1 0 346.354 3.581 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)COCc2ccccc2)s1 ZINC000736295199 600450738 /nfs/dbraw/zinc/45/07/38/600450738.db2.gz VXZSFRNZIZPWMG-UHFFFAOYSA-N -1 0 347.436 3.899 20 0 EHADRM CC(C)[C@H](OC(=O)c1cccc(COc2cccc(F)c2)c1)C(=O)[O-] ZINC000736388233 600453387 /nfs/dbraw/zinc/45/33/87/600453387.db2.gz BYOFUMTWTMVBGH-KRWDZBQOSA-N -1 0 346.354 3.671 20 0 EHADRM Cc1c(NC(=O)N(C)[C@@H]2CCc3ccccc3C2)cccc1C(=O)[O-] ZINC000738299095 600455643 /nfs/dbraw/zinc/45/56/43/600455643.db2.gz HIXGRBRQHDVZJL-MRXNPFEDSA-N -1 0 338.407 3.714 20 0 EHADRM C[C@H]1CCCCCN1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000736786046 600456511 /nfs/dbraw/zinc/45/65/11/600456511.db2.gz YSDTZMCZDCDTSZ-ZDUSSCGKSA-N -1 0 336.457 3.801 20 0 EHADRM CC[C@H]1CCCC[C@@H]1NC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736941391 600456969 /nfs/dbraw/zinc/45/69/69/600456969.db2.gz LNTFECZKKYBUFO-HOCLYGCPSA-N -1 0 333.432 3.587 20 0 EHADRM O=C(/C=C\c1ccnc2ccccc12)O[C@@H](C(=O)[O-])c1ccccc1 ZINC000739214550 600458845 /nfs/dbraw/zinc/45/88/45/600458845.db2.gz FKUXNZMQDIOOIY-OEIFXAAASA-N -1 0 333.343 3.617 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)NCCC2=CCCCC2)cc1 ZINC000740019001 600461751 /nfs/dbraw/zinc/46/17/51/600461751.db2.gz ZAULUIQYLVTFHN-UHFFFAOYSA-N -1 0 331.416 3.509 20 0 EHADRM CC[C@@H](OC(=O)c1cccc(NC(=O)[O-])c1)C(=O)c1ccccc1 ZINC000736926788 600465831 /nfs/dbraw/zinc/46/58/31/600465831.db2.gz IUHIWCUGIQZXRZ-OAHLLOKOSA-N -1 0 327.336 3.595 20 0 EHADRM C[C@@H]1CCCC[C@H]1NC(=S)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000736782929 600473702 /nfs/dbraw/zinc/47/37/02/600473702.db2.gz DXTBQRDUNHIBKF-NOZJJQNGSA-N -1 0 326.849 3.903 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)[C@@H]2CSc3ccccc32)c1 ZINC000317693260 600474613 /nfs/dbraw/zinc/47/46/13/600474613.db2.gz JREPGLPGHFVJNP-LLVKDONJSA-N -1 0 333.796 3.866 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2sccc2-c2ccc(F)cc2)o1 ZINC000740130682 600478372 /nfs/dbraw/zinc/47/83/72/600478372.db2.gz HGBLMXAUAAIAOQ-UHFFFAOYSA-N -1 0 345.351 3.775 20 0 EHADRM CC[C@@](C)(NC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)C(=O)[O-] ZINC000362330947 600478576 /nfs/dbraw/zinc/47/85/76/600478576.db2.gz WSTBLVXZCPAFBK-GOSISDBHSA-N -1 0 349.333 3.740 20 0 EHADRM CC(C)Cc1nc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cs1 ZINC000736453626 600478816 /nfs/dbraw/zinc/47/88/16/600478816.db2.gz MBMQPSYFYAYOPW-UHFFFAOYSA-N -1 0 338.816 3.946 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000736904408 600479321 /nfs/dbraw/zinc/47/93/21/600479321.db2.gz VAKOOUWADSANDU-PKOBYXMFSA-N -1 0 339.435 3.978 20 0 EHADRM COc1cc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc(OC)c1C ZINC000324433502 600479970 /nfs/dbraw/zinc/47/99/70/600479970.db2.gz WIXCINBKYHRQNQ-UHFFFAOYSA-N -1 0 349.770 3.616 20 0 EHADRM C[C@@H]1SCCN(C(=O)c2cccc(C(=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000237386917 600481235 /nfs/dbraw/zinc/48/12/35/600481235.db2.gz DYXDDJLHTBZCCQ-GUYCJALGSA-N -1 0 341.432 3.704 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)c1nccs1 ZINC000736914566 600483478 /nfs/dbraw/zinc/48/34/78/600483478.db2.gz VTYCBUHSUIBCCL-ZDUSSCGKSA-N -1 0 348.428 3.526 20 0 EHADRM CC(=O)Nc1c(C)cccc1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000736155271 600486702 /nfs/dbraw/zinc/48/67/02/600486702.db2.gz AECBTODDUQQEDO-UHFFFAOYSA-N -1 0 346.770 3.557 20 0 EHADRM Cc1ccccc1NCCC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000738778267 600486746 /nfs/dbraw/zinc/48/67/46/600486746.db2.gz PZMFLVVTUDJQCQ-UHFFFAOYSA-N -1 0 332.787 3.787 20 0 EHADRM CC(C)[C@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccccc1Cl ZINC000263152641 600497534 /nfs/dbraw/zinc/49/75/34/600497534.db2.gz BFHZGHZSUYHZST-DOMZBBRYSA-N -1 0 338.835 3.543 20 0 EHADRM CC(C)[C@@H]1CCCN(C(=O)NCCc2ccc(NC(=O)[O-])cc2)CC1 ZINC000736395924 600499690 /nfs/dbraw/zinc/49/96/90/600499690.db2.gz RSKMTWUYFGRNRS-MRXNPFEDSA-N -1 0 347.459 3.787 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)CC/C=C/c1ccccc1 ZINC000736186665 600510505 /nfs/dbraw/zinc/51/05/05/600510505.db2.gz NUTSIELTRSAKPD-WEVVVXLNSA-N -1 0 338.359 3.986 20 0 EHADRM Cc1cc([C@H]2CCCN2C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)on1 ZINC000738378501 600511304 /nfs/dbraw/zinc/51/13/04/600511304.db2.gz HAOQGDGYLFUCBN-CYBMUJFWSA-N -1 0 349.774 3.704 20 0 EHADRM Cc1cc(O[C@@H](C)C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)ccc1C(C)C ZINC000738465200 600521741 /nfs/dbraw/zinc/52/17/41/600521741.db2.gz SRSDDENGSARKQW-BBRMVZONSA-N -1 0 335.444 3.501 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)[O-] ZINC000675986732 600522189 /nfs/dbraw/zinc/52/21/89/600522189.db2.gz NEZKMAXEJWYZPW-HNNXBMFYSA-N -1 0 345.420 3.537 20 0 EHADRM CCN(C(=O)CCc1ccc(C)cc1C)c1ccccc1C(=O)[O-] ZINC000737054156 600524381 /nfs/dbraw/zinc/52/43/81/600524381.db2.gz ZBKCDAJWARDWGL-UHFFFAOYSA-N -1 0 325.408 3.987 20 0 EHADRM Cc1cccc([C@H](C)C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])c1 ZINC000237485298 600525951 /nfs/dbraw/zinc/52/59/51/600525951.db2.gz XVIRCTBNXXHKNC-IRXDYDNUSA-N -1 0 339.435 3.848 20 0 EHADRM CC(C)c1ccc([C@H](C)NC(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000736513925 600526884 /nfs/dbraw/zinc/52/68/84/600526884.db2.gz ZUGNTVNVWAZWOZ-LBPRGKRZSA-N -1 0 330.384 3.662 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(C(=O)[O-])nc2)cc1OCCC(C)C ZINC000606824310 600530270 /nfs/dbraw/zinc/53/02/70/600530270.db2.gz JLBXEHJYRGRAFD-UHFFFAOYSA-N -1 0 342.395 3.765 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)[O-] ZINC000675986636 600530389 /nfs/dbraw/zinc/53/03/89/600530389.db2.gz VULCIJPOGKYSLT-KRWDZBQOSA-N -1 0 347.386 3.634 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)/C=C\c1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000736241110 600531160 /nfs/dbraw/zinc/53/11/60/600531160.db2.gz FQRAIOIYSFTERA-JYBLJSLWSA-N -1 0 345.439 3.637 20 0 EHADRM C[C@@H]1CCC[C@@H](OCC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000676001875 600533819 /nfs/dbraw/zinc/53/38/19/600533819.db2.gz CFAVNYVMSOFKGI-ZYHUDNBSSA-N -1 0 325.792 3.572 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc3ccccc3s2)cc([N+](=O)[O-])c1 ZINC000238192299 600541995 /nfs/dbraw/zinc/54/19/95/600541995.db2.gz OMXCPQFPDMWXDX-UHFFFAOYSA-N -1 0 342.332 3.760 20 0 EHADRM Cc1cccc(C)c1OCCCOC(=O)c1ccc(C(=O)[O-])s1 ZINC000738687775 600544446 /nfs/dbraw/zinc/54/44/46/600544446.db2.gz BGJJUZUZQRCUNG-UHFFFAOYSA-N -1 0 334.393 3.689 20 0 EHADRM C[C@@H](NC(=O)NCCCCCCC(=O)[O-])c1nc2ccccc2s1 ZINC000736648500 600544975 /nfs/dbraw/zinc/54/49/75/600544975.db2.gz ZGZSJZGOJANOJP-GFCCVEGCSA-N -1 0 349.456 3.692 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)CCCc1ccccn1 ZINC000736486695 600554349 /nfs/dbraw/zinc/55/43/49/600554349.db2.gz ALWYFMWQILYSCV-UHFFFAOYSA-N -1 0 342.395 3.528 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)CCSc1ccc(Cl)cc1 ZINC000037585231 600557825 /nfs/dbraw/zinc/55/78/25/600557825.db2.gz PNHXDFFVNCHKNS-UHFFFAOYSA-N -1 0 329.849 3.534 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)C[C@@H]2OCCc3ccccc32)c1 ZINC000739224629 600569685 /nfs/dbraw/zinc/56/96/85/600569685.db2.gz GYKHNRFXRUMSGZ-INIZCTEOSA-N -1 0 345.782 3.681 20 0 EHADRM CC(C)(C(=O)Nc1ccc(OCCC(=O)[O-])cc1)c1cccs1 ZINC000236727617 600571109 /nfs/dbraw/zinc/57/11/09/600571109.db2.gz GCZPXNMDHBGZGO-UHFFFAOYSA-N -1 0 333.409 3.518 20 0 EHADRM CCS[C@@H](C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1)C(C)C ZINC000737228487 600571572 /nfs/dbraw/zinc/57/15/72/600571572.db2.gz AIOGWBUPRAUHOT-CHWSQXEVSA-N -1 0 330.833 3.787 20 0 EHADRM CC(C)(CNC(=O)c1ccccc1NC(=O)[O-])c1ccc(F)cc1 ZINC000736323966 600577946 /nfs/dbraw/zinc/57/79/46/600577946.db2.gz OMDOKYIDAMOYPC-UHFFFAOYSA-N -1 0 330.359 3.623 20 0 EHADRM CCc1[nH]c(C(=O)NCc2oc3ccccc3c2C)c(C)c1C(=O)[O-] ZINC000737243560 600579027 /nfs/dbraw/zinc/57/90/27/600579027.db2.gz HLYYLOJZZMHDLG-UHFFFAOYSA-N -1 0 340.379 3.568 20 0 EHADRM C[C@@H](S[C@@H](C)CC(=O)[O-])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000736551832 600581914 /nfs/dbraw/zinc/58/19/14/600581914.db2.gz KXGGAJJMSHXORF-JGVFFNPUSA-N -1 0 336.240 3.917 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=S)NCCc2ccccc2)c1 ZINC000740071887 600583356 /nfs/dbraw/zinc/58/33/56/600583356.db2.gz FSPYASFFMZVHDC-UHFFFAOYSA-N -1 0 334.828 3.567 20 0 EHADRM C[C@H](CC(=O)[O-])S[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000736553348 600584496 /nfs/dbraw/zinc/58/44/96/600584496.db2.gz RMXLLPSGXHCXKQ-BDAKNGLRSA-N -1 0 335.347 3.629 20 0 EHADRM C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-])n1cccc1 ZINC000736548392 600585162 /nfs/dbraw/zinc/58/51/62/600585162.db2.gz LRZNGGDOWUNEBM-SNVBAGLBSA-N -1 0 340.301 3.795 20 0 EHADRM C[C@@H](CC(=O)[O-])S[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000736549921 600585662 /nfs/dbraw/zinc/58/56/62/600585662.db2.gz BLDCAGDNNXREEO-YUMQZZPRSA-N -1 0 336.240 3.917 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)C2(c3ccccc3F)CC2)cc1 ZINC000737329481 600585671 /nfs/dbraw/zinc/58/56/71/600585671.db2.gz NELKSJFYEHLQQY-UHFFFAOYSA-N -1 0 328.343 3.610 20 0 EHADRM C[C@@H](S[C@@H](C)CC(=O)[O-])C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000736551800 600589223 /nfs/dbraw/zinc/58/92/23/600589223.db2.gz KPJGOTKSCXFJGH-DTWKUNHWSA-N -1 0 335.347 3.629 20 0 EHADRM CN(C(=O)CCCc1ccc(Cl)cc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737317737 600589876 /nfs/dbraw/zinc/58/98/76/600589876.db2.gz KLNVABGJJQYNFN-SFHVURJKSA-N -1 0 345.826 3.947 20 0 EHADRM C[C@H](CC(=O)[O-])S[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000736551849 600590098 /nfs/dbraw/zinc/59/00/98/600590098.db2.gz LBWZQTIPALMFPQ-BDAKNGLRSA-N -1 0 335.347 3.629 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000738840861 600592175 /nfs/dbraw/zinc/59/21/75/600592175.db2.gz MFOKIVLGDLZODF-ZDUSSCGKSA-N -1 0 346.452 3.647 20 0 EHADRM CN(C(=O)/C=C/c1ccc(Cl)cc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737314276 600592459 /nfs/dbraw/zinc/59/24/59/600592459.db2.gz QDDSSILBGANSPR-KQPPXVQYSA-N -1 0 329.783 3.638 20 0 EHADRM CN(C(=O)/C=C\c1ccc(Cl)cc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737314278 600592528 /nfs/dbraw/zinc/59/25/28/600592528.db2.gz QDDSSILBGANSPR-QJWNTBNXSA-N -1 0 329.783 3.638 20 0 EHADRM CN(C(=O)C[C@H]1CCCc2ccccc21)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737317289 600593412 /nfs/dbraw/zinc/59/34/12/600593412.db2.gz GOHHUJPDLKBLQG-YLJYHZDGSA-N -1 0 337.419 3.781 20 0 EHADRM C[C@@H](CS[C@H](C(=O)Nc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000736607355 600597389 /nfs/dbraw/zinc/59/73/89/600597389.db2.gz PYRJSBXTMZFTAY-BBRMVZONSA-N -1 0 329.421 3.820 20 0 EHADRM CCC/C(C)=C/C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000736960503 600597680 /nfs/dbraw/zinc/59/76/80/600597680.db2.gz VYPZYFHENQDITR-XOVFHRFOSA-N -1 0 339.435 3.946 20 0 EHADRM O=C(C=C1CCCC1)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000739211817 600598043 /nfs/dbraw/zinc/59/80/43/600598043.db2.gz ZUGVPFQXPJBQNU-SFHVURJKSA-N -1 0 337.419 3.700 20 0 EHADRM CC(C)COc1ccc(C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000736445838 600598577 /nfs/dbraw/zinc/59/85/77/600598577.db2.gz NPEHBFKZBQBBSW-GOSISDBHSA-N -1 0 341.407 3.619 20 0 EHADRM Cc1cc(C)c(NC(=O)[C@H](C)SC[C@@H](C)C(=O)[O-])c(Cl)c1 ZINC000738357195 600599077 /nfs/dbraw/zinc/59/90/77/600599077.db2.gz AVZYXCKLRDVNLL-MNOVXSKESA-N -1 0 329.849 3.738 20 0 EHADRM CN(C(=O)CSc1ccccc1Cl)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737325552 600599520 /nfs/dbraw/zinc/59/95/20/600599520.db2.gz KTUNKTNNUQDPEH-MRXNPFEDSA-N -1 0 349.839 3.716 20 0 EHADRM O=C([O-])[C@H](Nc1ccc(O[C@@H]2CCOC2)cc1)c1cccc(Cl)c1 ZINC000739511683 600599803 /nfs/dbraw/zinc/59/98/03/600599803.db2.gz IZEBYXXDOCSTLH-IAGOWNOFSA-N -1 0 347.798 3.746 20 0 EHADRM CC[C@](C)(NCc1cc(C)c(OCC(=O)[O-])c(C)c1)c1nccs1 ZINC000736864341 600600027 /nfs/dbraw/zinc/60/00/27/600600027.db2.gz VYAIVDRTCSVJEP-SFHVURJKSA-N -1 0 348.468 3.638 20 0 EHADRM CCc1cc2oc(=O)cc(CSC[C@@H](C)C(=O)[O-])c2cc1Cl ZINC000737252668 600600046 /nfs/dbraw/zinc/60/00/46/600600046.db2.gz OOPDBHKQLIWNFE-SECBINFHSA-N -1 0 340.828 3.963 20 0 EHADRM COc1cc2ccccc2cc1C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000737908703 600601191 /nfs/dbraw/zinc/60/11/91/600601191.db2.gz YMGYJHMGELBITR-IBGZPJMESA-N -1 0 349.386 3.746 20 0 EHADRM C[C@@H](CSCCCC(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000736614703 600601234 /nfs/dbraw/zinc/60/12/34/600601234.db2.gz XXLATBKOHMPEGY-JTQLQIEISA-N -1 0 345.258 3.866 20 0 EHADRM C[C@@H](CC(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1F ZINC000736544745 600601351 /nfs/dbraw/zinc/60/13/51/600601351.db2.gz KVNRLFZVXOBZTC-SCLBCKFNSA-N -1 0 329.371 3.604 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CCC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)o1 ZINC000736762420 600601628 /nfs/dbraw/zinc/60/16/28/600601628.db2.gz ATQKEHDBSUWNNZ-NRXGSXMXSA-N -1 0 341.407 3.620 20 0 EHADRM O=C([O-])c1cccc(C(=O)N(Cc2ccc(F)cc2)CC2CC2)c1 ZINC000238200802 600609799 /nfs/dbraw/zinc/60/97/99/600609799.db2.gz ULVYNKAJQNMPTG-UHFFFAOYSA-N -1 0 327.355 3.576 20 0 EHADRM CCc1sc(=O)n(Cc2cc(C)c(C(=O)[O-])o2)c1-c1ccccc1 ZINC000737292284 600612375 /nfs/dbraw/zinc/61/23/75/600612375.db2.gz ONSSLJSAMQYDAA-UHFFFAOYSA-N -1 0 343.404 3.787 20 0 EHADRM O=C([O-])COc1ccc(C(=O)OCc2ccc3ccccc3c2)cc1 ZINC000739824327 600614319 /nfs/dbraw/zinc/61/43/19/600614319.db2.gz XCRKEZUUXNTNFX-UHFFFAOYSA-N -1 0 336.343 3.660 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC000191064173 600614762 /nfs/dbraw/zinc/61/47/62/600614762.db2.gz IYOBAMBJQUQCOT-HXUWFJFHSA-N -1 0 337.375 3.878 20 0 EHADRM C[C@@H](C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-])C(C)(C)C ZINC000439947698 600617841 /nfs/dbraw/zinc/61/78/41/600617841.db2.gz RVIADKYATBRHOG-KBXCAEBGSA-N -1 0 341.451 3.882 20 0 EHADRM CC(C)[C@@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1ccccc1Cl ZINC000581347323 600620132 /nfs/dbraw/zinc/62/01/32/600620132.db2.gz UJZLEKJREUQKGD-OAHLLOKOSA-N -1 0 332.787 3.560 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2nc(Cl)ccc2Cl)c1 ZINC000236479334 600622281 /nfs/dbraw/zinc/62/22/81/600622281.db2.gz BCIWCTFZCOQMHO-UHFFFAOYSA-N -1 0 345.569 3.992 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)[C@@H]2Cc3ccccc3S2)c1 ZINC000388240469 600623379 /nfs/dbraw/zinc/62/33/79/600623379.db2.gz ZNYUOSDFGTTXDY-AWEZNQCLSA-N -1 0 333.796 3.694 20 0 EHADRM Cc1c(NC(=O)NCC2(c3cccc(F)c3)CC2)cccc1C(=O)[O-] ZINC000738304729 600624803 /nfs/dbraw/zinc/62/48/03/600624803.db2.gz SSHQZBCTKINTRI-UHFFFAOYSA-N -1 0 342.370 3.686 20 0 EHADRM CC[C@@H]1CCCCCN1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000736942749 600625514 /nfs/dbraw/zinc/62/55/14/600625514.db2.gz YLKDQYINSHDDRB-OAHLLOKOSA-N -1 0 334.416 3.727 20 0 EHADRM CC(C)(C)[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000678979287 600643551 /nfs/dbraw/zinc/64/35/51/600643551.db2.gz RAQRPXZAYDABCE-BRWVUGGUSA-N -1 0 325.408 3.559 20 0 EHADRM Cc1cc(C)c(C(=O)CCCC(=O)N[C@H](C(=O)[O-])C(C)(C)C)c(C)c1 ZINC000738353458 600643884 /nfs/dbraw/zinc/64/38/84/600643884.db2.gz YKTOQISBJFQHST-GOSISDBHSA-N -1 0 347.455 3.580 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000738550820 600645153 /nfs/dbraw/zinc/64/51/53/600645153.db2.gz JALLKLSTVUKTSK-XJKSGUPXSA-N -1 0 335.444 3.501 20 0 EHADRM CCN(C(=O)CCOc1c(C)cccc1C)c1ccccc1C(=O)[O-] ZINC000737052419 600647507 /nfs/dbraw/zinc/64/75/07/600647507.db2.gz ALTRBQBEKDKMOZ-UHFFFAOYSA-N -1 0 341.407 3.824 20 0 EHADRM CCN(c1ccc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1)C(C)C ZINC000392215000 600653293 /nfs/dbraw/zinc/65/32/93/600653293.db2.gz GMZPGLDQDOFMMH-CABCVRRESA-N -1 0 332.444 3.751 20 0 EHADRM C[C@H](c1cc2ccccc2o1)N(C)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000245703766 600653835 /nfs/dbraw/zinc/65/38/35/600653835.db2.gz MFAZBMZQJJFTCS-BPLDGKMQSA-N -1 0 329.396 3.843 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N(Cc2ccco2)Cc2cccs2)C1 ZINC000183962511 600655129 /nfs/dbraw/zinc/65/51/29/600655129.db2.gz QGMOXYBEFXYNLZ-KGLIPLIRSA-N -1 0 347.436 3.761 20 0 EHADRM CCCN(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)[C@H]1CCc2ccccc2C1 ZINC000499196896 600660821 /nfs/dbraw/zinc/66/08/21/600660821.db2.gz SJQGSQBZHQAJPI-QRVBRYPASA-N -1 0 343.467 3.674 20 0 EHADRM CC(C)c1ccc(NC(=O)[C@@H]2Cc3cc(F)ccc3O2)c(C(=O)[O-])c1 ZINC000736513836 600661610 /nfs/dbraw/zinc/66/16/10/600661610.db2.gz JYUYGVBCCFGHGK-KRWDZBQOSA-N -1 0 343.354 3.590 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)N2CCSC[C@H]2CC(=O)[O-])cc1 ZINC000236690623 600666578 /nfs/dbraw/zinc/66/65/78/600666578.db2.gz GXMXOUXZJBEBDQ-WMLDXEAASA-N -1 0 349.496 3.722 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2nc(-c3ccc(O)cc3)cs2)s1 ZINC000740115548 600683817 /nfs/dbraw/zinc/68/38/17/600683817.db2.gz ZXIRXAAOQURPAB-UHFFFAOYSA-N -1 0 346.389 3.528 20 0 EHADRM C[C@H](Cc1nc(-c2cccc(C(=O)[O-])c2)no1)c1ccc(F)cc1 ZINC000827597751 600695271 /nfs/dbraw/zinc/69/52/71/600695271.db2.gz YGKARINSFIECFV-LLVKDONJSA-N -1 0 326.327 3.920 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000262388644 600696462 /nfs/dbraw/zinc/69/64/62/600696462.db2.gz FHTNWQSXHLDISV-KSZLIROESA-N -1 0 341.451 3.627 20 0 EHADRM Cc1cccc(OCCc2nc(-c3cccc(C(=O)[O-])c3)no2)c1C ZINC000832974665 600696918 /nfs/dbraw/zinc/69/69/18/600696918.db2.gz KKHJRQQDLQYUBP-UHFFFAOYSA-N -1 0 338.363 3.673 20 0 EHADRM O=C([O-])c1cccc(-c2noc([C@@H]3C[C@H]3c3cccc(F)c3F)n2)c1 ZINC000833328151 600698363 /nfs/dbraw/zinc/69/83/63/600698363.db2.gz YHQMJKQEFFRLQE-QWHCGFSZSA-N -1 0 342.301 3.984 20 0 EHADRM O=C([O-])c1cccc(-c2noc(-c3cc(-c4cccs4)[nH]n3)n2)c1 ZINC000833326987 600699141 /nfs/dbraw/zinc/69/91/41/600699141.db2.gz YXEXDCSYKJQCJZ-UHFFFAOYSA-N -1 0 338.348 3.553 20 0 EHADRM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)c1ccc(C(=O)[O-])nc1 ZINC000237626089 600701676 /nfs/dbraw/zinc/70/16/76/600701676.db2.gz YCGHTRFNOILZMU-AWEZNQCLSA-N -1 0 338.407 3.783 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000237047702 600701843 /nfs/dbraw/zinc/70/18/43/600701843.db2.gz YSOMZSXISCGKTR-DENIHFKCSA-N -1 0 349.430 3.637 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@H]2C[C@@]23CCc2ccccc23)cc1 ZINC000192889343 600706460 /nfs/dbraw/zinc/70/64/60/600706460.db2.gz KPBJDVUSSVKJIJ-WIYYLYMNSA-N -1 0 335.403 3.546 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1C[C@@]13CCCc1ccccc13)C2 ZINC000621557483 600707789 /nfs/dbraw/zinc/70/77/89/600707789.db2.gz IBIZETVTOMMIJB-SIKLNZKXSA-N -1 0 347.414 3.521 20 0 EHADRM Cn1c(C(=O)O[C@H](C(=O)[O-])c2ccccc2)ccc1-c1ccccc1 ZINC000833038842 600708668 /nfs/dbraw/zinc/70/86/68/600708668.db2.gz QWBNLEAVHXVOAC-SFHVURJKSA-N -1 0 335.359 3.675 20 0 EHADRM O=C([O-])c1ccoc1COC(=O)c1ncoc1-c1ccccc1Cl ZINC000833336879 600708717 /nfs/dbraw/zinc/70/87/17/600708717.db2.gz XASIVAMSPLUHQX-UHFFFAOYSA-N -1 0 347.710 3.643 20 0 EHADRM C[C@@H](CC(=O)c1ccccc1F)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000827397621 600713508 /nfs/dbraw/zinc/71/35/08/600713508.db2.gz LQUCOBSEHHLMPK-QWRGUYRKSA-N -1 0 348.326 3.630 20 0 EHADRM O=C([O-])[C@@H](OC(=O)[C@@H]1SCCc2ccccc21)c1ccccc1F ZINC000833168403 600714201 /nfs/dbraw/zinc/71/42/01/600714201.db2.gz AJBQZSNKYFUZIN-JKSUJKDBSA-N -1 0 346.379 3.525 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)OCc2cccc3ccccc32)cc1O ZINC000833284345 600729472 /nfs/dbraw/zinc/72/94/72/600729472.db2.gz ROYCDEIITTWGKX-UHFFFAOYSA-N -1 0 337.331 3.992 20 0 EHADRM O=C([O-])c1cccc(NC(=O)NC2(c3cccc(Cl)c3)CC2)c1 ZINC000739479599 600729501 /nfs/dbraw/zinc/72/95/01/600729501.db2.gz GVQZQBPWECFRMG-UHFFFAOYSA-N -1 0 330.771 3.849 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)c1ccc(OC2CCC2)cc1 ZINC000833026186 600736390 /nfs/dbraw/zinc/73/63/90/600736390.db2.gz YNPZKTUOEPVVBA-UHFFFAOYSA-N -1 0 330.336 3.575 20 0 EHADRM Cc1cc(COC(=O)CCc2c[nH]c3cc(C)ccc23)oc1C(=O)[O-] ZINC000832960633 600741123 /nfs/dbraw/zinc/74/11/23/600741123.db2.gz RXRPBDULTAOVSB-UHFFFAOYSA-N -1 0 341.363 3.752 20 0 EHADRM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)NCCCCC(=O)[O-])o1 ZINC000666561704 600743907 /nfs/dbraw/zinc/74/39/07/600743907.db2.gz BMECBVXOEXEGEA-DZGCQCFKSA-N -1 0 336.432 3.580 20 0 EHADRM Cc1cc(C)cc(CCNC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000738363176 600745639 /nfs/dbraw/zinc/74/56/39/600745639.db2.gz FGBWZPXCMULXQL-UHFFFAOYSA-N -1 0 345.374 3.897 20 0 EHADRM COc1cccc(F)c1[C@@H](C)N[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000832558849 600756792 /nfs/dbraw/zinc/75/67/92/600756792.db2.gz QFEJBRMOQXQJHJ-QLJPJBMISA-N -1 0 337.778 3.964 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)c1 ZINC000238040503 600784329 /nfs/dbraw/zinc/78/43/29/600784329.db2.gz DBBRXIKXKUAHCM-YWZLYKJASA-N -1 0 339.366 3.757 20 0 EHADRM O=C([O-])C1(NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)CCCCCC1 ZINC000833129216 600784860 /nfs/dbraw/zinc/78/48/60/600784860.db2.gz WTVVFMCJHFHJJP-FXAWDEMLSA-N -1 0 341.451 3.574 20 0 EHADRM Cc1ccc2cccc(C(=O)N[C@@H](CCC(=O)[O-])c3ccccc3)c2n1 ZINC000190762977 600787031 /nfs/dbraw/zinc/78/70/31/600787031.db2.gz HBIUXQYMWFLEMU-SFHVURJKSA-N -1 0 348.402 3.879 20 0 EHADRM C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1)c1ccsc1 ZINC000776674798 600798258 /nfs/dbraw/zinc/79/82/58/600798258.db2.gz VJDMEXOZYIJTPH-HZMBPMFUSA-N -1 0 337.828 3.837 20 0 EHADRM O=C([O-])c1cccc(OC(=O)c2cc(Oc3ccccc3)ccn2)c1 ZINC000833331986 600801896 /nfs/dbraw/zinc/80/18/96/600801896.db2.gz WGNYNIWQBVTJFN-UHFFFAOYSA-N -1 0 335.315 3.791 20 0 EHADRM Cc1ccc([C@H](C)C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)o1 ZINC000832923334 600808408 /nfs/dbraw/zinc/80/84/08/600808408.db2.gz HJPWNLWXSCRVMH-FZMZJTMJSA-N -1 0 335.787 3.677 20 0 EHADRM C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000776679838 600808534 /nfs/dbraw/zinc/80/85/34/600808534.db2.gz ZLBMKYYJPRGHQU-GUYCJALGSA-N -1 0 345.826 3.851 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)Nc2cc(F)c(F)c(F)c2)cc1 ZINC000739991020 600812184 /nfs/dbraw/zinc/81/21/84/600812184.db2.gz HGXPFMKEQDBCGX-UHFFFAOYSA-N -1 0 339.273 3.516 20 0 EHADRM COC(C)(C)C[C@H](C)Nc1nc(C)nc2sc(C(=O)[O-])c(C)c21 ZINC000583443684 600818705 /nfs/dbraw/zinc/81/87/05/600818705.db2.gz ZYSIEBHHVFOXMU-QMMMGPOBSA-N -1 0 337.445 3.622 20 0 EHADRM COC(C)(C)C[C@@H](C)Nc1nc(C)nc2sc(C(=O)[O-])c(C)c21 ZINC000583443683 600818744 /nfs/dbraw/zinc/81/87/44/600818744.db2.gz ZYSIEBHHVFOXMU-MRVPVSSYSA-N -1 0 337.445 3.622 20 0 EHADRM Cc1cccc(O[C@@H](C)CNc2nc(Cl)c(C(=O)[O-])s2)c1 ZINC000832972484 600820642 /nfs/dbraw/zinc/82/06/42/600820642.db2.gz CCHFBSVINQIVHY-VIFPVBQESA-N -1 0 326.805 3.683 20 0 EHADRM O=C([O-])[C@H]1CCCN(c2nc3ccccc3c(-c3ccccc3)n2)C1 ZINC000262163353 600823723 /nfs/dbraw/zinc/82/37/23/600823723.db2.gz TUUCGUSPRLKABF-HNNXBMFYSA-N -1 0 333.391 3.598 20 0 EHADRM C[C@H]1CCC[C@@H](C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC000736772293 600827632 /nfs/dbraw/zinc/82/76/32/600827632.db2.gz AIAYICLNDRUVON-UONOGXRCSA-N -1 0 330.428 3.750 20 0 EHADRM Cc1nc2ccccc2c(S[C@@H](C(=O)[O-])c2ccccc2F)n1 ZINC000833003613 600832746 /nfs/dbraw/zinc/83/27/46/600832746.db2.gz URWQZRRTEXMZHD-OAHLLOKOSA-N -1 0 328.368 3.995 20 0 EHADRM CC(C)C[C@@H]1CCN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000307816571 600839724 /nfs/dbraw/zinc/83/97/24/600839724.db2.gz KKYNTKQRXFRJCS-JTQLQIEISA-N -1 0 326.343 3.563 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)c(F)c1 ZINC000479495838 600840199 /nfs/dbraw/zinc/84/01/99/600840199.db2.gz IGTBCNJLLGRVNJ-ZYHUDNBSSA-N -1 0 335.281 3.544 20 0 EHADRM CC(C)C[C@H]1CCN(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C1 ZINC000826841091 600842697 /nfs/dbraw/zinc/84/26/97/600842697.db2.gz UYAVEIBHKVVHTB-OAHLLOKOSA-N -1 0 333.432 3.696 20 0 EHADRM C[C@H](CC(=O)N[C@@](C)(C(=O)[O-])C1CC1)c1ccccc1C(F)(F)F ZINC000237411008 600844438 /nfs/dbraw/zinc/84/44/38/600844438.db2.gz GXWFZMDOIHZQOM-QLJPJBMISA-N -1 0 343.345 3.569 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)/C=C\c2ccc(Cl)cc2)c2ccccc21 ZINC000325332679 600847458 /nfs/dbraw/zinc/84/74/58/600847458.db2.gz ZZZGOEKWHQUBAQ-YHAOYDPOSA-N -1 0 341.794 3.958 20 0 EHADRM CCCOc1ccc(CCC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000236798192 600847842 /nfs/dbraw/zinc/84/78/42/600847842.db2.gz LXTVEFHZXXWJSR-UHFFFAOYSA-N -1 0 327.380 3.745 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000237353083 600851094 /nfs/dbraw/zinc/85/10/94/600851094.db2.gz JFDWGJAMSPVPCJ-NSHDSACASA-N -1 0 333.334 3.870 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000262303060 600853476 /nfs/dbraw/zinc/85/34/76/600853476.db2.gz QUAXWGSTOMWWBV-CYBMUJFWSA-N -1 0 329.371 3.660 20 0 EHADRM CCOc1c(F)cccc1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000676001328 600856563 /nfs/dbraw/zinc/85/65/63/600856563.db2.gz IUZUYIWODFTXMK-UHFFFAOYSA-N -1 0 337.734 3.828 20 0 EHADRM Cc1cc2c(cc1C)O[C@H](C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)C2 ZINC000676001184 600856650 /nfs/dbraw/zinc/85/66/50/600856650.db2.gz HSJCYCLFENYTDZ-INIZCTEOSA-N -1 0 345.782 3.597 20 0 EHADRM Cc1nc(C2CCCC2)sc1C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000237615021 600864475 /nfs/dbraw/zinc/86/44/75/600864475.db2.gz YFHUKEBXGWCNPN-UHFFFAOYSA-N -1 0 336.457 3.626 20 0 EHADRM CC1(C(=O)Nc2cc(C(=O)[O-])c(F)cc2Br)CCCC1 ZINC000736728469 600868258 /nfs/dbraw/zinc/86/82/58/600868258.db2.gz OOPRDKVOOCWWJV-UHFFFAOYSA-N -1 0 344.180 3.805 20 0 EHADRM C[C@@H](OC(=O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1)C(=O)[O-] ZINC000827862158 600869239 /nfs/dbraw/zinc/86/92/39/600869239.db2.gz WDORVRCMUZBKJC-SECBINFHSA-N -1 0 338.718 3.901 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccccc2SC(F)F)C1 ZINC000108654617 600873848 /nfs/dbraw/zinc/87/38/48/600873848.db2.gz KCIINGJUODWYDP-VHSXEESVSA-N -1 0 329.368 3.831 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2cccc(F)c2Cl)ccc1F ZINC000833284079 600874851 /nfs/dbraw/zinc/87/48/51/600874851.db2.gz ZGBPLUSPWTYNLP-UHFFFAOYSA-N -1 0 326.686 3.960 20 0 EHADRM CN(C)c1ccc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1F ZINC000568042695 600879769 /nfs/dbraw/zinc/87/97/69/600879769.db2.gz PDTCXVQFVGUITD-UHFFFAOYSA-N -1 0 344.386 3.506 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)/C=C\c2cccc(F)c2)cc1 ZINC000325309055 600882034 /nfs/dbraw/zinc/88/20/34/600882034.db2.gz RZLYIMZGXUVIDR-WDZFZDKYSA-N -1 0 327.355 3.840 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000321286185 600883493 /nfs/dbraw/zinc/88/34/93/600883493.db2.gz OAQWPGOATUODJU-UHFFFAOYSA-N -1 0 331.799 3.883 20 0 EHADRM O=C(/C=C\c1nc2ccccc2s1)Nc1ccc(C(=O)[O-])s1 ZINC000833095723 600901092 /nfs/dbraw/zinc/90/10/92/600901092.db2.gz RPCMPRZTHNADHB-VURMDHGXSA-N -1 0 330.390 3.708 20 0 EHADRM COc1ccc(N(CC(C)C)C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000832383481 600915553 /nfs/dbraw/zinc/91/55/53/600915553.db2.gz IFQWVKMUWONORV-LSDHHAIUSA-N -1 0 333.428 3.575 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NCc2ccc(OC3CCCC3)cc2)C1 ZINC000679393113 600918997 /nfs/dbraw/zinc/91/89/97/600918997.db2.gz GCLBFAWGOZEDCH-CVEARBPZSA-N -1 0 345.439 3.515 20 0 EHADRM CC(C)C[C@@H](CNC(=O)[C@@H](Sc1ccccc1)C(C)C)C(=O)[O-] ZINC000486306593 600919568 /nfs/dbraw/zinc/91/95/68/600919568.db2.gz YXLHSOUCIOUNHM-HOCLYGCPSA-N -1 0 337.485 3.666 20 0 EHADRM CC(C)C[C@@H](CNC(=O)C[C@@H](c1ccccc1)C(F)(F)F)C(=O)[O-] ZINC000262522458 600925759 /nfs/dbraw/zinc/92/57/59/600925759.db2.gz QWKSUTDQSWKZOV-KBPBESRZSA-N -1 0 345.361 3.586 20 0 EHADRM Cc1nc(-c2cccs2)ccc1C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000191025561 600927516 /nfs/dbraw/zinc/92/75/16/600927516.db2.gz AVAAHWCOQLQFPA-ZDUSSCGKSA-N -1 0 346.452 3.595 20 0 EHADRM CCC(CC)(NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000342544137 600928354 /nfs/dbraw/zinc/92/83/54/600928354.db2.gz KJKRLKUDWFMDGC-NEPJUHHUSA-N -1 0 344.238 3.857 20 0 EHADRM CCC(CC)(NC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000342521310 600928364 /nfs/dbraw/zinc/92/83/64/600928364.db2.gz HPLPOYLBZWNCGW-LLVKDONJSA-N -1 0 345.361 3.644 20 0 EHADRM CC(C)(Cc1ccccc1Cl)NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000179999213 600929176 /nfs/dbraw/zinc/92/91/76/600929176.db2.gz QONJSDIEXKAYHZ-STQMWFEESA-N -1 0 337.847 3.668 20 0 EHADRM C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)CCCNC(=O)[O-] ZINC000827928714 600930138 /nfs/dbraw/zinc/93/01/38/600930138.db2.gz NXDNKISXRZYWIF-HNNXBMFYSA-N -1 0 340.423 3.921 20 0 EHADRM CN(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)[C@H](c1ccccc1)C(F)(F)F ZINC000830456114 600931138 /nfs/dbraw/zinc/93/11/38/600931138.db2.gz CEXDJYLJNSRKBU-HZSPNIEDSA-N -1 0 343.345 3.639 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccc(Oc3ccccc3)cn2)C1 ZINC000833188234 600931556 /nfs/dbraw/zinc/93/15/56/600931556.db2.gz WZQYBXVKJUOSOX-UONOGXRCSA-N -1 0 340.379 3.703 20 0 EHADRM Cn1cc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c2ccccc21 ZINC000163615567 600932009 /nfs/dbraw/zinc/93/20/09/600932009.db2.gz CIDRQHYGIUBNIH-UHFFFAOYSA-N -1 0 336.391 3.793 20 0 EHADRM Cc1cccc([C@@H]2CCCCN2C(=O)c2ccc(C(=O)[O-])nc2)c1C ZINC000237788971 600932688 /nfs/dbraw/zinc/93/26/88/600932688.db2.gz GQIFYPJDRPVGOX-SFHVURJKSA-N -1 0 338.407 3.764 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCCC[C@H]2Cc2ccc(F)cc2)C1 ZINC000540923883 600933929 /nfs/dbraw/zinc/93/39/29/600933929.db2.gz HKSCJJMFNUQRNJ-JZXOWHBKSA-N -1 0 347.430 3.640 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCCC[C@@H]2Cc2ccc(F)cc2)C1 ZINC000540923882 600934034 /nfs/dbraw/zinc/93/40/34/600934034.db2.gz HKSCJJMFNUQRNJ-JFIYKMOQSA-N -1 0 347.430 3.640 20 0 EHADRM C[C@H]1CN(C(=O)Cn2cc(C(=O)[O-])c3ccccc32)[C@H]1c1ccccc1 ZINC000828347774 600936969 /nfs/dbraw/zinc/93/69/69/600936969.db2.gz GCWLYJLMDZGUGL-VBKZILBWSA-N -1 0 348.402 3.559 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)[C@@H](C)CCc2cccc(F)c2)c1 ZINC000832183249 600939160 /nfs/dbraw/zinc/93/91/60/600939160.db2.gz UWDITKJGBVTCIH-LBPRGKRZSA-N -1 0 346.354 3.707 20 0 EHADRM Cc1oc(COC(=O)c2cccc(-c3cscn3)c2)cc1C(=O)[O-] ZINC000833027940 600942435 /nfs/dbraw/zinc/94/24/35/600942435.db2.gz YKTDRTXUIOTZFB-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N(Cc2cccc(F)c2)C2CCCC2)C1 ZINC000833181769 600943205 /nfs/dbraw/zinc/94/32/05/600943205.db2.gz KGCWTFQKRAGCSM-JKSUJKDBSA-N -1 0 347.430 3.988 20 0 EHADRM Cc1ccc(OC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)c(C(=O)[O-])c1 ZINC000832953510 600946231 /nfs/dbraw/zinc/94/62/31/600946231.db2.gz VDAFOFBESGBQSS-AAEUAGOBSA-N -1 0 332.302 3.681 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccnc(Oc3ccccc3)c2)C1 ZINC000833188577 600948551 /nfs/dbraw/zinc/94/85/51/600948551.db2.gz ZKMVMTSVFTXVET-KGLIPLIRSA-N -1 0 340.379 3.703 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cnc2ccsc2c1)c1cccc(Cl)c1 ZINC000833349368 600948785 /nfs/dbraw/zinc/94/87/85/600948785.db2.gz CJACSEXZUGNDIY-CQSZACIVSA-N -1 0 347.779 3.932 20 0 EHADRM CC[C@H](NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(Cl)s1 ZINC000828921411 600953154 /nfs/dbraw/zinc/95/31/54/600953154.db2.gz BQLPCDFSBIBGDJ-DCAQKATOSA-N -1 0 329.849 3.860 20 0 EHADRM CC(C)C[C@@H](OC(=O)c1ccc(Br)cc1Cl)C(=O)[O-] ZINC000826821005 600955690 /nfs/dbraw/zinc/95/56/90/600955690.db2.gz WKLAJSXZJVZKIS-LLVKDONJSA-N -1 0 349.608 3.759 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)c1cccc(-c2cscn2)c1 ZINC000833270106 600959478 /nfs/dbraw/zinc/95/94/78/600959478.db2.gz YIXOGNDLRHCFLM-UHFFFAOYSA-N -1 0 339.372 3.656 20 0 EHADRM CC1CCN(c2cccc(NC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)c2)CC1 ZINC000828303875 600964853 /nfs/dbraw/zinc/96/48/53/600964853.db2.gz ZBHXBZYEAHYWKW-HZPDHXFCSA-N -1 0 344.455 3.752 20 0 EHADRM COc1ccc(Cl)cc1CN1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000321558072 600965597 /nfs/dbraw/zinc/96/55/97/600965597.db2.gz XJORBTJWDCQQJC-LBPRGKRZSA-N -1 0 331.799 3.927 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2SCCc3sccc32)sc1C(=O)[O-] ZINC000832893213 600965952 /nfs/dbraw/zinc/96/59/52/600965952.db2.gz KYCVCZGPNJGNFV-GFCCVEGCSA-N -1 0 339.463 3.785 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1C ZINC000180020144 600968679 /nfs/dbraw/zinc/96/86/79/600968679.db2.gz JGGZUJWABGXMIZ-BQFCYCMXSA-N -1 0 329.440 3.858 20 0 EHADRM Cc1ccc(C(C)(C)CN(C)C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000192971483 600973326 /nfs/dbraw/zinc/97/33/26/600973326.db2.gz HKBVMDNYTIYOJW-HOTGVXAUSA-N -1 0 331.456 3.622 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1cccc(F)c1Cl)c1ccccc1 ZINC000828595101 600973624 /nfs/dbraw/zinc/97/36/24/600973624.db2.gz QVTCHUZOUQPZFY-CQSZACIVSA-N -1 0 335.762 3.989 20 0 EHADRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)[C@H](C)C(C)C ZINC000832847942 600979462 /nfs/dbraw/zinc/97/94/62/600979462.db2.gz FIZMDDIBEJHTLN-MRVPVSSYSA-N -1 0 328.206 3.686 20 0 EHADRM Cc1cc(C(=O)[C@@H](C)S[C@@H](C)CC(=O)[O-])c(C)n1Cc1ccco1 ZINC000738203550 600985664 /nfs/dbraw/zinc/98/56/64/600985664.db2.gz UDISTZKESZLIPD-GXTWGEPZSA-N -1 0 349.452 3.914 20 0 EHADRM CCc1cccc(CC)c1NC(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000327359211 600995633 /nfs/dbraw/zinc/99/56/33/600995633.db2.gz NZKMDKMWHNHJJI-QGZVFWFLSA-N -1 0 340.423 3.801 20 0 EHADRM COc1ccc2sc(C(=O)Nc3ncc(C(=O)[O-])s3)c(C)c2c1 ZINC000738078242 600997851 /nfs/dbraw/zinc/99/78/51/600997851.db2.gz BDKKDJQYHISLOW-UHFFFAOYSA-N -1 0 348.405 3.625 20 0 EHADRM COc1ccc2sc(C(=O)NC3(C(=O)[O-])CCCCC3)c(C)c2c1 ZINC000237326232 600998565 /nfs/dbraw/zinc/99/85/65/600998565.db2.gz OTUSNNRMKNWZKO-UHFFFAOYSA-N -1 0 347.436 3.736 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)Nc2ccc(CC(=O)[O-])cc2)c1 ZINC000544392306 601000612 /nfs/dbraw/zinc/00/06/12/601000612.db2.gz YAPVWAOVFJMWKZ-UHFFFAOYSA-N -1 0 339.391 3.911 20 0 EHADRM COc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)c(C)c1 ZINC000262447110 601005263 /nfs/dbraw/zinc/00/52/63/601005263.db2.gz VSCMRXJWYIVWEJ-UHFFFAOYSA-N -1 0 343.379 3.741 20 0 EHADRM C[C@@H](CNC(=O)Nc1cccc(C(=O)[O-])c1)Oc1ccccc1Cl ZINC000827493577 601008647 /nfs/dbraw/zinc/00/86/47/601008647.db2.gz WQPFNBSVGCAMEZ-NSHDSACASA-N -1 0 348.786 3.627 20 0 EHADRM CC[C@](NC(=O)[C@H](C)c1cccc(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC000561735513 601010731 /nfs/dbraw/zinc/01/07/31/601010731.db2.gz LPRJQXLLLKBGHG-BFUOFWGJSA-N -1 0 345.826 3.950 20 0 EHADRM C[C@@H](C(=O)N1C[C@H](C(=O)[O-])c2ccccc21)c1cccc(Cl)c1 ZINC000439716236 601011067 /nfs/dbraw/zinc/01/10/67/601011067.db2.gz HGWVZGOHWNHHKT-ABAIWWIYSA-N -1 0 329.783 3.659 20 0 EHADRM Cc1cccc(N(CC(=O)[O-])C(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)n1 ZINC000738720306 601014287 /nfs/dbraw/zinc/01/42/87/601014287.db2.gz PHSAROKMPJCGBQ-DZGCQCFKSA-N -1 0 332.444 3.660 20 0 EHADRM COc1cccc(F)c1[C@@H](C)NC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000832558885 601015280 /nfs/dbraw/zinc/01/52/80/601015280.db2.gz SAZYDJRGLWXLPF-LLVKDONJSA-N -1 0 346.358 3.724 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N2CC[C@@H](Cc3ccccc3)C2)cc1 ZINC000833286461 601021683 /nfs/dbraw/zinc/02/16/83/601021683.db2.gz SDDAUAASTUSMIQ-HNNXBMFYSA-N -1 0 339.395 3.873 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)Oc2ccccc2CC(=O)[O-])cc1 ZINC000737258145 601021966 /nfs/dbraw/zinc/02/19/66/601021966.db2.gz YENZOBPWHGFZIK-CQSZACIVSA-N -1 0 326.392 3.975 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)N[C@H]2C[C@@H]2Cc2ccccc2)c1 ZINC000833289220 601024478 /nfs/dbraw/zinc/02/44/78/601024478.db2.gz QJBUSJPRXHMJEC-BBRMVZONSA-N -1 0 325.368 3.529 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1 ZINC000830514436 601030174 /nfs/dbraw/zinc/03/01/74/601030174.db2.gz RTUSZCVZNVRWPA-UMVBOHGHSA-N -1 0 331.416 3.891 20 0 EHADRM CCC(CC)c1cc(CNC(=O)Nc2ccc(CC(=O)[O-])cc2)on1 ZINC000828863212 601032597 /nfs/dbraw/zinc/03/25/97/601032597.db2.gz XSFRHIHUNOXEHA-UHFFFAOYSA-N -1 0 345.399 3.527 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1 ZINC000833239349 601035600 /nfs/dbraw/zinc/03/56/00/601035600.db2.gz PGHDXJRCHGQQJR-SQWLQELKSA-N -1 0 346.427 3.630 20 0 EHADRM O=C([O-])c1cnc(N(C(=O)c2ccc(C(F)F)cc2)C2CC2)s1 ZINC000740260358 601041235 /nfs/dbraw/zinc/04/12/35/601041235.db2.gz RDUWXCAYZJGAPA-UHFFFAOYSA-N -1 0 338.335 3.588 20 0 EHADRM Cc1cnc([C@@H](NC(=O)Nc2ccc(C(=O)[O-])cc2F)C2CC2)s1 ZINC000821140840 601044389 /nfs/dbraw/zinc/04/43/89/601044389.db2.gz GTKLIMHEGMMNHH-ZDUSSCGKSA-N -1 0 349.387 3.562 20 0 EHADRM Cc1c(NS(=O)(=O)c2ccccc2C(C)(C)C)cccc1C(=O)[O-] ZINC000460824042 601047077 /nfs/dbraw/zinc/04/70/77/601047077.db2.gz OVESZWOHGUOQDC-UHFFFAOYSA-N -1 0 347.436 3.792 20 0 EHADRM Cc1ccc(CC[C@@H](C)NC(=O)Nc2ccc(CCC(=O)[O-])cc2)o1 ZINC000832930529 601048212 /nfs/dbraw/zinc/04/82/12/601048212.db2.gz PRUUKUPNVCTLNB-CYBMUJFWSA-N -1 0 344.411 3.748 20 0 EHADRM CCSc1cccc(NC(=O)NC[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000830169369 601050801 /nfs/dbraw/zinc/05/08/01/601050801.db2.gz UJCQSGLMFPFZPV-INIZCTEOSA-N -1 0 344.436 3.789 20 0 EHADRM Cc1nc(NCc2ccc(OC(F)(F)F)cc2)sc1C(=O)[O-] ZINC000809868754 601052739 /nfs/dbraw/zinc/05/27/39/601052739.db2.gz VACPIWKFSJWPOC-UHFFFAOYSA-N -1 0 332.303 3.660 20 0 EHADRM CC(C)[C@H](NC(=O)C[C@H](Cc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000346018540 601053306 /nfs/dbraw/zinc/05/33/06/601053306.db2.gz RBQRCRJQJIJRNU-ICSRJNTNSA-N -1 0 339.435 3.628 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)cc1 ZINC000833266127 601056878 /nfs/dbraw/zinc/05/68/78/601056878.db2.gz KEPCEKHUIFBMRI-UHFFFAOYSA-N -1 0 338.407 3.556 20 0 EHADRM C[C@H](C(=O)N1CCCC[C@@H]1CC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000679394919 601057266 /nfs/dbraw/zinc/05/72/66/601057266.db2.gz SDVKPHBXLGIJNE-CMPLNLGQSA-N -1 0 344.238 3.953 20 0 EHADRM CC(C)c1cc(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])n(C)n1 ZINC000827125220 601057568 /nfs/dbraw/zinc/05/75/68/601057568.db2.gz ZLNPAWKLTOKZOA-UHFFFAOYSA-N -1 0 329.400 3.617 20 0 EHADRM CC(C)c1cc(C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])n(C)n1 ZINC000827107189 601058408 /nfs/dbraw/zinc/05/84/08/601058408.db2.gz PXNZDWAKBKOWBL-UHFFFAOYSA-N -1 0 349.456 3.853 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1Cc2ccccc2[C@@H]1C)C(=O)[O-] ZINC000574292320 601059622 /nfs/dbraw/zinc/05/96/22/601059622.db2.gz LFUITMDXUNFNJK-STQMWFEESA-N -1 0 341.432 3.969 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)c1cccc2cnccc21 ZINC000833333678 601060485 /nfs/dbraw/zinc/06/04/85/601060485.db2.gz FNOZFSKQXLKSDU-UHFFFAOYSA-N -1 0 332.359 3.526 20 0 EHADRM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000828151293 601060687 /nfs/dbraw/zinc/06/06/87/601060687.db2.gz UXIQCHKGUKITLW-GOEBONIOSA-N -1 0 338.407 3.870 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)[C@@H](C)c2cccc(Cl)c2)C(=O)[O-])cc1 ZINC000537366940 601060773 /nfs/dbraw/zinc/06/07/73/601060773.db2.gz BAPCUTNHANWARQ-SUMWQHHRSA-N -1 0 345.826 3.737 20 0 EHADRM O=C([O-])[C@@H](OC(=O)CCc1ccco1)c1ccc(Cl)cc1Cl ZINC000833103255 601061278 /nfs/dbraw/zinc/06/12/78/601061278.db2.gz GZOXUOJGTRGGSA-AWEZNQCLSA-N -1 0 343.162 3.888 20 0 EHADRM C[C@@H](OC(=O)c1ccccc1C(F)(F)F)c1ccc(C(=O)[O-])o1 ZINC000827867489 601063738 /nfs/dbraw/zinc/06/37/38/601063738.db2.gz OQSUOPRAAIUZMU-MRVPVSSYSA-N -1 0 328.242 3.915 20 0 EHADRM Cc1ccc(NC(=O)CCCOCc2ccccc2)cc1C(=O)[O-] ZINC000262707013 601065524 /nfs/dbraw/zinc/06/55/24/601065524.db2.gz DMYDGDVGJCVRFS-UHFFFAOYSA-N -1 0 327.380 3.629 20 0 EHADRM Cc1ccc(C)c(OCCC(=O)O[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000832926013 601065864 /nfs/dbraw/zinc/06/58/64/601065864.db2.gz BGNGLFFHPFFJTB-GOSISDBHSA-N -1 0 346.354 3.581 20 0 EHADRM CC(C)C[C@@H](C(=O)NC[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000736402160 601068692 /nfs/dbraw/zinc/06/86/92/601068692.db2.gz ORSDYZQMUQVNBA-RTBURBONSA-N -1 0 339.435 3.801 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000486273013 601069939 /nfs/dbraw/zinc/06/99/39/601069939.db2.gz AHTYLDLGZAKYOB-INIZCTEOSA-N -1 0 337.375 3.648 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1occc1-c1ccccc1)c1ccccc1 ZINC000327344738 601071965 /nfs/dbraw/zinc/07/19/65/601071965.db2.gz KHNYASRLINTIJS-QGZVFWFLSA-N -1 0 335.359 3.545 20 0 EHADRM CCCCCNC(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000829363213 601073964 /nfs/dbraw/zinc/07/39/64/601073964.db2.gz AJAZSQMJSHQUNT-UHFFFAOYSA-N -1 0 347.184 3.598 20 0 EHADRM CCSCc1cccc(NC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000830169314 601074027 /nfs/dbraw/zinc/07/40/27/601074027.db2.gz RIJVYMGPZFOYDN-HNNXBMFYSA-N -1 0 348.468 3.658 20 0 EHADRM CC(C)CCO[C@H](C)C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC000826855145 601077244 /nfs/dbraw/zinc/07/72/44/601077244.db2.gz FPHXRVXJKQGRPG-SNVBAGLBSA-N -1 0 342.461 3.529 20 0 EHADRM CC(C)c1cc(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)on1 ZINC000827107205 601078298 /nfs/dbraw/zinc/07/82/98/601078298.db2.gz RWRHIUJLSCVIPM-UHFFFAOYSA-N -1 0 337.401 3.503 20 0 EHADRM CC(C)c1ocnc1C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC000827180208 601078398 /nfs/dbraw/zinc/07/83/98/601078398.db2.gz OUUNSVNDOGJLHP-UHFFFAOYSA-N -1 0 337.401 3.503 20 0 EHADRM Cc1cc2[nH]c(C(=O)O[C@H](C(=O)[O-])c3ccccc3F)cc2c(C)c1 ZINC000832873861 601078528 /nfs/dbraw/zinc/07/85/28/601078528.db2.gz BDPGUTJVZVNUCY-KRWDZBQOSA-N -1 0 341.338 3.907 20 0 EHADRM CSCc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)ccc1F ZINC000237383219 601080316 /nfs/dbraw/zinc/08/03/16/601080316.db2.gz RFHCMSYVPQOEQI-MRXNPFEDSA-N -1 0 347.411 3.635 20 0 EHADRM Cc1ccc([C@H](C)C(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])o1 ZINC000832923021 601080521 /nfs/dbraw/zinc/08/05/21/601080521.db2.gz FRBFPVRNTZLIOY-BPUTZDHNSA-N -1 0 333.428 3.574 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)CCc1ccc(F)cc1 ZINC000833177472 601081985 /nfs/dbraw/zinc/08/19/85/601081985.db2.gz OUZASXCVSGADSW-SJLPKXTDSA-N -1 0 347.430 3.640 20 0 EHADRM CCc1ccc(CNC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)s1 ZINC000325963784 601087123 /nfs/dbraw/zinc/08/71/23/601087123.db2.gz RZWIBERIOKANPS-UHFFFAOYSA-N -1 0 346.452 3.994 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)c1cccc(C(=O)[O-])n1 ZINC000630296177 601087174 /nfs/dbraw/zinc/08/71/74/601087174.db2.gz YPVPXMGHUSRDQQ-MRXNPFEDSA-N -1 0 340.423 3.572 20 0 EHADRM CCc1ccsc1C(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000830282446 601087833 /nfs/dbraw/zinc/08/78/33/601087833.db2.gz WNTRTZUZFGKEHI-CABCVRRESA-N -1 0 335.469 3.806 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1nccs1 ZINC000325294948 601089963 /nfs/dbraw/zinc/08/99/63/601089963.db2.gz TXFJMFHHWVUGLT-CYBMUJFWSA-N -1 0 347.440 3.778 20 0 EHADRM COc1cccc(CCCOC(=O)c2ccccc2N(C)C(=O)[O-])c1 ZINC000832549161 601117759 /nfs/dbraw/zinc/11/77/59/601117759.db2.gz JYZNWPHYPAHUQY-UHFFFAOYSA-N -1 0 343.379 3.599 20 0 EHADRM C/C(=C\C(=O)O[C@H](C(=O)[O-])c1ccccc1F)c1ccc(F)cc1 ZINC000825723889 601122287 /nfs/dbraw/zinc/12/22/87/601122287.db2.gz CYDZNCSMRUNNBB-DVQDXYAYSA-N -1 0 332.302 3.737 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000324932401 601125602 /nfs/dbraw/zinc/12/56/02/601125602.db2.gz NYWGGQKNLNNSCD-GJZGRUSLSA-N -1 0 330.428 3.506 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NCC2(c3ccccc3)CCCC2)C1 ZINC000183971996 601126382 /nfs/dbraw/zinc/12/63/82/601126382.db2.gz NWXMIJULDDZOMC-CVEARBPZSA-N -1 0 329.440 3.506 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N[C@@H]2CCCc3[nH]ccc32)c1 ZINC000833154556 601131938 /nfs/dbraw/zinc/13/19/38/601131938.db2.gz WZIGQJDDOFPHCW-CQSZACIVSA-N -1 0 333.775 3.565 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(Cl)ccc1OC(C)C ZINC000828634578 601133573 /nfs/dbraw/zinc/13/35/73/601133573.db2.gz SQOFASKJHYTRCH-INIZCTEOSA-N -1 0 327.808 3.500 20 0 EHADRM CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000236887364 601133995 /nfs/dbraw/zinc/13/39/95/601133995.db2.gz VNPVYCDIYDSVEA-OAHLLOKOSA-N -1 0 347.798 3.512 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000325349508 601135659 /nfs/dbraw/zinc/13/56/59/601135659.db2.gz BDKRTMUVHGRHOK-NSHDSACASA-N -1 0 346.349 3.882 20 0 EHADRM Cc1ccc(NC(=O)N2CCc3cc(F)ccc3[C@@H]2C)cc1C(=O)[O-] ZINC000832945849 601138021 /nfs/dbraw/zinc/13/80/21/601138021.db2.gz JCCFMYMVHLPYLM-LBPRGKRZSA-N -1 0 342.370 3.984 20 0 EHADRM CSc1ccc(C)c(C(=O)N(CC(=O)[O-])c2cccc(F)c2)c1 ZINC000832777119 601142976 /nfs/dbraw/zinc/14/29/76/601142976.db2.gz DJAQDVVLNIUMAT-UHFFFAOYSA-N -1 0 333.384 3.587 20 0 EHADRM Cc1ccc(NC(=O)N2CCc3cccc(F)c3[C@@H]2C)cc1C(=O)[O-] ZINC000832945667 601144375 /nfs/dbraw/zinc/14/43/75/601144375.db2.gz HLICZMZHRBUXTO-LBPRGKRZSA-N -1 0 342.370 3.984 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(C)c(C(=O)[O-])c1)c1nc(C)cs1 ZINC000828951515 601145622 /nfs/dbraw/zinc/14/56/22/601145622.db2.gz NCLAGECCEHLPCS-ZDUSSCGKSA-N -1 0 333.413 3.731 20 0 EHADRM C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)c2C#N)C1 ZINC000326311015 601146115 /nfs/dbraw/zinc/14/61/15/601146115.db2.gz LKQMQYLKVMDUQT-GRYCIOLGSA-N -1 0 346.452 3.574 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000833185391 601146724 /nfs/dbraw/zinc/14/67/24/601146724.db2.gz HBKWPMJSNMHORB-VXGBXAGGSA-N -1 0 348.399 3.779 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)c1cc(Cl)ccc1OC(F)F ZINC000833335482 601151384 /nfs/dbraw/zinc/15/13/84/601151384.db2.gz RYGUTCLDQVDANN-UHFFFAOYSA-N -1 0 341.697 3.892 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)CCCc1ccc(C)s1 ZINC000832524203 601151564 /nfs/dbraw/zinc/15/15/64/601151564.db2.gz RYKUVOZQPMVONW-UHFFFAOYSA-N -1 0 334.393 3.692 20 0 EHADRM CC[C@@H](Oc1ccccc1Cl)C(=O)OCc1ccc(C(=O)[O-])o1 ZINC000829020619 601151644 /nfs/dbraw/zinc/15/16/44/601151644.db2.gz IEICYFWVOAJBNN-GFCCVEGCSA-N -1 0 338.743 3.532 20 0 EHADRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c(F)cc1F ZINC000322487108 601151834 /nfs/dbraw/zinc/15/18/34/601151834.db2.gz WUINVTZJFAENMS-UHFFFAOYSA-N -1 0 327.233 3.502 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2nc(-c3ccccc3F)cs2)C1 ZINC000833187748 601152599 /nfs/dbraw/zinc/15/25/99/601152599.db2.gz SXBOXKURHQCEPS-WDEREUQCSA-N -1 0 348.399 3.779 20 0 EHADRM CCc1nc(C)c([C@H](C)OC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)s1 ZINC000830309909 601158823 /nfs/dbraw/zinc/15/88/23/601158823.db2.gz RVDQHLOZHZUKNC-SDDRHHMPSA-N -1 0 325.430 3.509 20 0 EHADRM CC(C)CCc1nc(COC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cs1 ZINC000826861189 601176094 /nfs/dbraw/zinc/17/60/94/601176094.db2.gz QEZHDQRDSAAMJU-STQMWFEESA-N -1 0 339.457 3.666 20 0 EHADRM CCS[C@H]1CCC[C@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000830158164 601191722 /nfs/dbraw/zinc/19/17/22/601191722.db2.gz RUPBOXRXETUULL-JQWIXIFHSA-N -1 0 340.420 3.710 20 0 EHADRM CCS[C@H]1CCC[C@@H](NC(=O)Nc2cccc(NC(=O)[O-])c2)C1 ZINC000830158356 601191796 /nfs/dbraw/zinc/19/17/96/601191796.db2.gz VITPGCXMFRLKRJ-KGLIPLIRSA-N -1 0 337.445 3.962 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)OCc2c(Cl)ccc3cccnc32)C1 ZINC000833186647 601192278 /nfs/dbraw/zinc/19/22/78/601192278.db2.gz GKVNNWPAKQDXLV-QWHCGFSZSA-N -1 0 347.798 3.822 20 0 EHADRM CC(C)(NC(=O)Nc1cccc(C(=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000826621239 601196636 /nfs/dbraw/zinc/19/66/36/601196636.db2.gz AECRDNZMKYXWFZ-UHFFFAOYSA-N -1 0 334.322 3.720 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCSC3(CCCCC3)C2)cc1 ZINC000833320074 601197424 /nfs/dbraw/zinc/19/74/24/601197424.db2.gz VKLYEMGCMWTHLV-UHFFFAOYSA-N -1 0 334.441 3.668 20 0 EHADRM C[C@@H]1CC[C@H](C)CN1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000828214916 601221476 /nfs/dbraw/zinc/22/14/76/601221476.db2.gz VZTYAJSKKCOOLJ-UONOGXRCSA-N -1 0 345.443 3.637 20 0 EHADRM O=C([O-])c1cc(C(=O)Nc2ccc(Nc3ccccc3)cc2)ccn1 ZINC000238182361 601242735 /nfs/dbraw/zinc/24/27/35/601242735.db2.gz MGXOYWBKNIWDJD-UHFFFAOYSA-N -1 0 333.347 3.776 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NCc2cnn(-c3ccccc3)c2)c1 ZINC000833298324 601250815 /nfs/dbraw/zinc/25/08/15/601250815.db2.gz XKSORDMIAJKPJU-UHFFFAOYSA-N -1 0 327.771 3.836 20 0 EHADRM COc1cccc(/C(C)=C\C(=O)Nc2ccc(CNC(=O)[O-])cc2)c1 ZINC000832529044 601267880 /nfs/dbraw/zinc/26/78/80/601267880.db2.gz VFWPYEIGKPNQSO-RAXLEYEMSA-N -1 0 340.379 3.505 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C)cc2F)cc1 ZINC000237362396 601282870 /nfs/dbraw/zinc/28/28/70/601282870.db2.gz KXTNHZZLAQITPL-INIZCTEOSA-N -1 0 347.411 3.802 20 0 EHADRM CC(C)=C(C)C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000826642318 601287143 /nfs/dbraw/zinc/28/71/43/601287143.db2.gz WDBSCIRFIAIRGN-SFHVURJKSA-N -1 0 325.408 3.556 20 0 EHADRM CN(Cc1ccc(NC(=O)C/C=C/c2ccc(F)cc2)cc1)C(=O)[O-] ZINC000830831021 601287199 /nfs/dbraw/zinc/28/71/99/601287199.db2.gz QZBADJULSVZMOZ-NSCUHMNNSA-N -1 0 342.370 3.978 20 0 EHADRM C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000827941787 601287454 /nfs/dbraw/zinc/28/74/54/601287454.db2.gz LXFUTZPUIILFLL-BBATYDOGSA-N -1 0 347.798 3.531 20 0 EHADRM C[C@@H]1C[C@H]1[C@@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000237454451 601291104 /nfs/dbraw/zinc/29/11/04/601291104.db2.gz YSFKVORJRCCOOH-HQQWDMGQSA-N -1 0 344.798 3.560 20 0 EHADRM Cc1ccc(NCC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000832951584 601302588 /nfs/dbraw/zinc/30/25/88/601302588.db2.gz IXRZFMWGVFTPKH-GFCCVEGCSA-N -1 0 346.814 3.636 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)/C=C\c1cnc(C(C)(C)C)s1 ZINC000776680561 601306475 /nfs/dbraw/zinc/30/64/75/601306475.db2.gz TWYXKTKMLMMPFC-HJWRWDBZSA-N -1 0 338.473 3.604 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1c(C)oc2ccc(OC)cc21 ZINC000776680897 601307930 /nfs/dbraw/zinc/30/79/30/601307930.db2.gz GRGTZFODYZBUSY-UHFFFAOYSA-N -1 0 333.384 3.513 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000828201941 601336788 /nfs/dbraw/zinc/33/67/88/601336788.db2.gz XZNUDGCCUBBBIF-KMFMINBZSA-N -1 0 330.428 3.889 20 0 EHADRM O=C([O-])c1ccc(-c2nc(COC(=O)[C@H]3C[C@@H]3C3CC3)cs2)cc1 ZINC000833308465 601358366 /nfs/dbraw/zinc/35/83/66/601358366.db2.gz QGXIUYQUYKYUKD-CABCVRRESA-N -1 0 343.404 3.598 20 0 EHADRM Cc1cc(Cl)ccc1NC(=O)COc1ccccc1NC(=O)[O-] ZINC000832886931 601369292 /nfs/dbraw/zinc/36/92/92/601369292.db2.gz YNHVETGHPWAKSC-UHFFFAOYSA-N -1 0 334.759 3.756 20 0 EHADRM C[C@@H](C(=O)N(C)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000825972352 601370863 /nfs/dbraw/zinc/37/08/63/601370863.db2.gz OEDPEJXVUNMXIL-OQPBUACISA-N -1 0 330.211 3.624 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000828764099 601391888 /nfs/dbraw/zinc/39/18/88/601391888.db2.gz FCRFVYYZNJOKQR-LLVKDONJSA-N -1 0 331.343 3.954 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000828764771 601391908 /nfs/dbraw/zinc/39/19/08/601391908.db2.gz NECNFMIVDSZGBJ-NSHDSACASA-N -1 0 331.343 3.954 20 0 EHADRM C[C@H](CC(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-])c1ccccc1 ZINC000262533566 601394506 /nfs/dbraw/zinc/39/45/06/601394506.db2.gz SXQIWVMLBWGPCC-VCBZYWHSSA-N -1 0 325.408 3.758 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000828757936 601404499 /nfs/dbraw/zinc/40/44/99/601404499.db2.gz FCGCLEBOEPOAQD-GUYCJALGSA-N -1 0 339.391 3.693 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2ccc(Cl)cc2Cl)CCCC1 ZINC000165414096 601406342 /nfs/dbraw/zinc/40/63/42/601406342.db2.gz IDLADQXEYKIYHB-UHFFFAOYSA-N -1 0 331.199 3.760 20 0 EHADRM CCN(C(=O)C[C@@H](C)c1ccc(OC)cc1)c1ccccc1C(=O)[O-] ZINC000829590937 601406497 /nfs/dbraw/zinc/40/64/97/601406497.db2.gz KCYIEBGASIBYPX-CQSZACIVSA-N -1 0 341.407 3.940 20 0 EHADRM C/C(=C\COC(=O)c1oc2ccccc2c1COC(C)C)C(=O)[O-] ZINC000825786325 601410393 /nfs/dbraw/zinc/41/03/93/601410393.db2.gz ILLMANJALCYPCZ-XYOKQWHBSA-N -1 0 332.352 3.546 20 0 EHADRM C/C(=C\COC(=O)c1csc(-c2cccc(Cl)c2)n1)C(=O)[O-] ZINC000825786471 601411909 /nfs/dbraw/zinc/41/19/09/601411909.db2.gz JYXPHHAKBKIEBM-WEVVVXLNSA-N -1 0 337.784 3.651 20 0 EHADRM CC1(C)CCC[C@H]1N(Cc1ccccc1)C(=O)CCCNC(=O)[O-] ZINC000828060070 601430774 /nfs/dbraw/zinc/43/07/74/601430774.db2.gz CVGCYUKWQHGOQO-MRXNPFEDSA-N -1 0 332.444 3.642 20 0 EHADRM Cc1nc(NC(=O)c2cc3c(ccc(C)c3C)[nH]2)sc1C(=O)[O-] ZINC000832959095 601435489 /nfs/dbraw/zinc/43/54/89/601435489.db2.gz ZELLBOWBWASVES-UHFFFAOYSA-N -1 0 329.381 3.500 20 0 EHADRM COc1ccc([C@H](C)CC(=O)OCc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000832220974 601442131 /nfs/dbraw/zinc/44/21/31/601442131.db2.gz ONQGYBMBMFWPED-LLVKDONJSA-N -1 0 332.352 3.532 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(OC3CCC3)c(F)c2)s1 ZINC000238048332 601447132 /nfs/dbraw/zinc/44/71/32/601447132.db2.gz VPODHSNCGCZENZ-UHFFFAOYSA-N -1 0 335.356 3.769 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)Cc1coc2cc(F)ccc12 ZINC000832916713 601448704 /nfs/dbraw/zinc/44/87/04/601448704.db2.gz OXPLEDPUGHJVBK-UHFFFAOYSA-N -1 0 327.311 3.760 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)CCSc1ccccc1 ZINC000830383422 601458217 /nfs/dbraw/zinc/45/82/17/601458217.db2.gz AUJLXNWBKHYZLJ-UHFFFAOYSA-N -1 0 334.393 3.766 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000237041351 601458998 /nfs/dbraw/zinc/45/89/98/601458998.db2.gz NVDFSOPHBUDBNV-HNNXBMFYSA-N -1 0 343.210 3.848 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000237110932 601460169 /nfs/dbraw/zinc/46/01/69/601460169.db2.gz SHKGFXIEFALKJN-MBOZVWFJSA-N -1 0 325.408 3.703 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000767052180 601460616 /nfs/dbraw/zinc/46/06/16/601460616.db2.gz OZIBRRZKUGUYOT-PSLIRLAXSA-N -1 0 332.227 3.857 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)C(C)(C)c1ccccc1OC ZINC000830379486 601464104 /nfs/dbraw/zinc/46/41/04/601464104.db2.gz YGNUHDCPNYUJAT-UHFFFAOYSA-N -1 0 346.379 3.570 20 0 EHADRM CCN(CC)[C@@H](C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000829666458 601465676 /nfs/dbraw/zinc/46/56/76/601465676.db2.gz IISDFRFBWGQTFQ-CXAGYDPISA-N -1 0 345.395 3.665 20 0 EHADRM COc1ccc([C@H](C)CC(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC000832220790 601474429 /nfs/dbraw/zinc/47/44/29/601474429.db2.gz HDFQUIWKBSPLLF-NEPJUHHUSA-N -1 0 332.352 3.784 20 0 EHADRM C[C@@H](CC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-])c1ccccc1F ZINC000262562750 601475205 /nfs/dbraw/zinc/47/52/05/601475205.db2.gz ZDJDSHPQJJDCRF-ORAYPTAESA-N -1 0 341.382 3.530 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2ccc(Oc3ccccc3)cc2)CCC1 ZINC000393043905 601476337 /nfs/dbraw/zinc/47/63/37/601476337.db2.gz GLNGNSAICZSOAB-UHFFFAOYSA-N -1 0 340.379 3.998 20 0 EHADRM CCS[C@H]1CCCC[C@H]1NC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000830157466 601478160 /nfs/dbraw/zinc/47/81/60/601478160.db2.gz JVMNXVBQBKJWIS-CABCVRRESA-N -1 0 336.457 3.879 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000324381400 601484283 /nfs/dbraw/zinc/48/42/83/601484283.db2.gz WOHMHMYDELNMFX-UHFFFAOYSA-N -1 0 326.396 3.949 20 0 EHADRM Cc1ccc(/C=C/CC(=O)Nc2cccc(OCC(=O)[O-])c2)cc1 ZINC000237797461 601499233 /nfs/dbraw/zinc/49/92/33/601499233.db2.gz SQHXXRIBOUHTKF-DUXPYHPUSA-N -1 0 325.364 3.500 20 0 EHADRM CC(C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1)=C1CCCC1 ZINC000826025638 601501626 /nfs/dbraw/zinc/50/16/26/601501626.db2.gz DSYRJHXQTWNRJL-UHFFFAOYSA-N -1 0 331.397 3.665 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(CCC(F)(F)F)c2)nc1 ZINC000833312441 601507816 /nfs/dbraw/zinc/50/78/16/601507816.db2.gz UFDSSFQVNUDSTB-UHFFFAOYSA-N -1 0 338.285 3.527 20 0 EHADRM CCc1ccc(NC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)cc1 ZINC000236932861 601525035 /nfs/dbraw/zinc/52/50/35/601525035.db2.gz DKQGYWUOCQQKSJ-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM CCC(CC)CN(CC)C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000236634131 601532981 /nfs/dbraw/zinc/53/29/81/601532981.db2.gz SNLGUUCGYGQKIK-UHFFFAOYSA-N -1 0 335.444 3.665 20 0 EHADRM Cc1cccc2sc(C(=O)N[C@H](CC(=O)[O-])C3CC3)c(Cl)c21 ZINC000776633224 601537877 /nfs/dbraw/zinc/53/78/77/601537877.db2.gz LNCWYHUDTDXGMS-SNVBAGLBSA-N -1 0 337.828 3.846 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc2ccc(Cl)cc2n1)c1cccs1 ZINC000833125628 601538155 /nfs/dbraw/zinc/53/81/55/601538155.db2.gz FSEFFHLOUDTFSU-AWEZNQCLSA-N -1 0 346.795 3.505 20 0 EHADRM O=C([O-])NCCCC(=O)N1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000833279875 601545292 /nfs/dbraw/zinc/54/52/92/601545292.db2.gz QYPIKMQCAROIGA-MUSGIIIZSA-N -1 0 330.428 3.519 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccccc1F ZINC000345850993 601582541 /nfs/dbraw/zinc/58/25/41/601582541.db2.gz PCQYRQJCCXGBEK-APPDUMDISA-N -1 0 349.789 3.915 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N[C@@H](C(=O)[O-])C3CC3)c(F)c2)cc1C ZINC000347404883 601595754 /nfs/dbraw/zinc/59/57/54/601595754.db2.gz BUQSGKBLBACYHX-GOSISDBHSA-N -1 0 341.382 3.703 20 0 EHADRM COC(=O)c1cc(NCc2cccc3ccccc32)cc(C(=O)[O-])c1 ZINC000831323286 601597361 /nfs/dbraw/zinc/59/73/61/601597361.db2.gz VUVILKOQQWQLHN-UHFFFAOYSA-N -1 0 335.359 3.937 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OC(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000832918992 601598018 /nfs/dbraw/zinc/59/80/18/601598018.db2.gz RYYOMECUDITFJH-UHFFFAOYSA-N -1 0 348.301 3.540 20 0 EHADRM O=C([O-])C1(CNC(=O)C2(c3cccs3)CCCCC2)CCCC1 ZINC000676024506 601598469 /nfs/dbraw/zinc/59/84/69/601598469.db2.gz HZSUNLHQASGIJJ-UHFFFAOYSA-N -1 0 335.469 3.711 20 0 EHADRM Cc1ccc2cccc(C(=O)N[C@H](c3ccccc3)[C@@H](C)C(=O)[O-])c2n1 ZINC000190856552 601609854 /nfs/dbraw/zinc/60/98/54/601609854.db2.gz YIHHLICKGFZPGG-KDOFPFPSSA-N -1 0 348.402 3.735 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000237674692 601612000 /nfs/dbraw/zinc/61/20/00/601612000.db2.gz YOQNVEHHUYKQPC-UHFFFAOYSA-N -1 0 329.421 3.660 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)Nc1ccc2oc3ccccc3c2c1)C1CC1 ZINC000833199279 601614720 /nfs/dbraw/zinc/61/47/20/601614720.db2.gz PKBQHVXSUZEYRP-OAHLLOKOSA-N -1 0 338.363 3.961 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)Nc1cc(F)cc(F)c1)c1ccccc1 ZINC000826038220 601616064 /nfs/dbraw/zinc/61/60/64/601616064.db2.gz DEYSTPWRDASASY-ZUZCIYMTSA-N -1 0 334.322 3.548 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)sc1C ZINC000262071610 601621476 /nfs/dbraw/zinc/62/14/76/601621476.db2.gz IWAKQMJZKZSRSD-ZDUSSCGKSA-N -1 0 337.828 3.964 20 0 EHADRM Cc1ccc(CC(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)s1 ZINC000262196635 601621500 /nfs/dbraw/zinc/62/15/00/601621500.db2.gz QLUCUEVEUWVUBF-AWEZNQCLSA-N -1 0 337.828 3.585 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Nc1cccc(F)c1F)c1ccccc1 ZINC000826039319 601621699 /nfs/dbraw/zinc/62/16/99/601621699.db2.gz QTBNGBVLHDPIIW-MEBBXXQBSA-N -1 0 334.322 3.548 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000013173633 601622238 /nfs/dbraw/zinc/62/22/38/601622238.db2.gz LCGGUJRHCSWHCU-AWEZNQCLSA-N -1 0 338.190 3.939 20 0 EHADRM O=C([O-])c1ccc(CN[C@H](c2nccs2)c2ccccc2)cc1F ZINC000833315268 601625124 /nfs/dbraw/zinc/62/51/24/601625124.db2.gz ZHBDRAKEMRLLFW-INIZCTEOSA-N -1 0 342.395 3.860 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000832853186 601627734 /nfs/dbraw/zinc/62/77/34/601627734.db2.gz GRCJRIDBYJMWCE-MRXNPFEDSA-N -1 0 348.443 3.685 20 0 EHADRM O=C([O-])[C@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000136476261 601628220 /nfs/dbraw/zinc/62/82/20/601628220.db2.gz WUEYQVUMWJUTGC-YRGRVCCFSA-N -1 0 342.222 3.563 20 0 EHADRM CCCCC[C@H](NC(=O)Cc1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000776661720 601638309 /nfs/dbraw/zinc/63/83/09/601638309.db2.gz OGIKZJDJAFFPPE-HNNXBMFYSA-N -1 0 346.452 3.502 20 0 EHADRM C[C@@H](CSc1ccc(F)cc1)C(=O)Oc1ccccc1C(=O)[O-] ZINC000827580375 601640951 /nfs/dbraw/zinc/64/09/51/601640951.db2.gz BCWYPIWCIDRNJJ-NSHDSACASA-N -1 0 334.368 3.858 20 0 EHADRM CCCCC[C@@H](NC(=O)c1sc2nccc(C)c2c1C)C(=O)[O-] ZINC000829340421 601648504 /nfs/dbraw/zinc/64/85/04/601648504.db2.gz OXSKZRSJAYGUPQ-GFCCVEGCSA-N -1 0 334.441 3.676 20 0 EHADRM CC(C)C[C@H](C)OCCC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000676001194 601651994 /nfs/dbraw/zinc/65/19/94/601651994.db2.gz HZUSCHCZVPCNFJ-NSHDSACASA-N -1 0 327.808 3.818 20 0 EHADRM C[C@@H](CSc1ccc(F)cc1)C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000827581299 601656592 /nfs/dbraw/zinc/65/65/92/601656592.db2.gz LLMPONGYANBFGD-LBPRGKRZSA-N -1 0 347.411 3.915 20 0 EHADRM CCc1[nH]c(C(=O)N[C@H](C)c2ccc(F)c(C)c2)c(C)c1C(=O)[O-] ZINC000830190878 601663965 /nfs/dbraw/zinc/66/39/65/601663965.db2.gz DEKSROTWLCDNQH-LLVKDONJSA-N -1 0 332.375 3.522 20 0 EHADRM C[C@@H](Sc1ccccc1)c1ccc(NC(=O)CNC(=O)[O-])cc1 ZINC000827914801 601665058 /nfs/dbraw/zinc/66/50/58/601665058.db2.gz GIDYQFVTBAIRTN-GFCCVEGCSA-N -1 0 330.409 3.746 20 0 EHADRM CC[C@](NC(=O)c1cc(F)cc(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC000828964951 601670319 /nfs/dbraw/zinc/67/03/19/601670319.db2.gz MHPZRAYPFVVZMP-QGZVFWFLSA-N -1 0 335.762 3.599 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)CCCc1cc(Cl)sc1Cl ZINC000236904313 601670474 /nfs/dbraw/zinc/67/04/74/601670474.db2.gz IHQRBYZHKKLGCJ-UHFFFAOYSA-N -1 0 338.256 3.701 20 0 EHADRM COC(=O)c1ccc(OCc2ccc(C(=O)[O-])c(F)c2)c(Cl)c1 ZINC000831440135 601671902 /nfs/dbraw/zinc/67/19/02/601671902.db2.gz QQDWAJLETNECSO-UHFFFAOYSA-N -1 0 338.718 3.543 20 0 EHADRM COC(=O)c1ccc(CSCc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000831385582 601674332 /nfs/dbraw/zinc/67/43/32/601674332.db2.gz ZZKMNUHIURKNHN-UHFFFAOYSA-N -1 0 334.368 3.744 20 0 EHADRM Cn1cc(CCC(=O)Nc2cccc(F)c2C(=O)[O-])c2ccccc21 ZINC000833044797 601675564 /nfs/dbraw/zinc/67/55/64/601675564.db2.gz GWOPOJRZIDFEBS-UHFFFAOYSA-N -1 0 340.354 3.587 20 0 EHADRM CC(C)c1ccc(NC(=O)N2CCO[C@H](CC(=O)[O-])C2)c(C(C)C)c1 ZINC000827125059 601689851 /nfs/dbraw/zinc/68/98/51/601689851.db2.gz XPQNKBBIERNKBA-OAHLLOKOSA-N -1 0 348.443 3.641 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)NCC(C)(C)C(=O)[O-])c(F)c2)cc1 ZINC000237800030 601704772 /nfs/dbraw/zinc/70/47/72/601704772.db2.gz WXTZJPYNPYISBQ-UHFFFAOYSA-N -1 0 329.371 3.642 20 0 EHADRM O=C([O-])c1ccc(COC(=O)C2(c3ccccc3)CCC2)cc1F ZINC000833313860 601712285 /nfs/dbraw/zinc/71/22/85/601712285.db2.gz DUIOFHNZTZHTMS-UHFFFAOYSA-N -1 0 328.339 3.689 20 0 EHADRM O=C([O-])c1ccc(COC(=O)C2(c3ccc(F)cc3)CCC2)cc1F ZINC000833315693 601714317 /nfs/dbraw/zinc/71/43/17/601714317.db2.gz VSXAHMNCAFRPCG-UHFFFAOYSA-N -1 0 346.329 3.828 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1F ZINC000833313882 601723985 /nfs/dbraw/zinc/72/39/85/601723985.db2.gz FOFUHNCATICHEO-GHMZBOCLSA-N -1 0 348.292 3.936 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cc1 ZINC000821546101 601727530 /nfs/dbraw/zinc/72/75/30/601727530.db2.gz YALKUQSDJCDCRJ-UHFFFAOYSA-N -1 0 349.346 3.565 20 0 EHADRM COc1cccc([C@@H]2C[C@H]2C(=O)OCc2cc(C(=O)[O-])sc2C)c1 ZINC000832539321 601727661 /nfs/dbraw/zinc/72/76/61/601727661.db2.gz AKKIMKXGMZQXCA-LSDHHAIUSA-N -1 0 346.404 3.610 20 0 EHADRM Cc1cccc2c(CC(=O)OCc3ccc(C(=O)[O-])c(F)c3)c[nH]c21 ZINC000832976427 601730902 /nfs/dbraw/zinc/73/09/02/601730902.db2.gz VZAZLPQONJQJGJ-UHFFFAOYSA-N -1 0 341.338 3.600 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@@H]2CCSc3ccccc32)cc1F ZINC000833315795 601732649 /nfs/dbraw/zinc/73/26/49/601732649.db2.gz FTGDTXBEGKZJJX-CYBMUJFWSA-N -1 0 346.379 3.847 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000829014694 601733039 /nfs/dbraw/zinc/73/30/39/601733039.db2.gz NFFGYYXEVRYVQR-INIZCTEOSA-N -1 0 346.354 3.733 20 0 EHADRM CC1(C)CN(C(=O)c2cccc(C(=O)[O-])c2)c2ccccc2S1 ZINC000828074795 601739368 /nfs/dbraw/zinc/73/93/68/601739368.db2.gz RCQAKFRTJBZGQK-UHFFFAOYSA-N -1 0 327.405 3.916 20 0 EHADRM O=C([O-])CCCc1csc(NC(=O)C[C@@H]2CCc3ccccc32)n1 ZINC000833229091 601743227 /nfs/dbraw/zinc/74/32/27/601743227.db2.gz RJBJJFVZQBKCNR-ZDUSSCGKSA-N -1 0 344.436 3.609 20 0 EHADRM O=C([O-])CCCc1csc(NC(=O)CCCc2cccs2)n1 ZINC000316309305 601744369 /nfs/dbraw/zinc/74/43/69/601744369.db2.gz KRZCZUDZSBWZSZ-UHFFFAOYSA-N -1 0 338.454 3.573 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2sccc2s1)c1ccccc1F ZINC000833124551 601747438 /nfs/dbraw/zinc/74/74/38/601747438.db2.gz ITEWXBYRXFBREX-ZDUSSCGKSA-N -1 0 335.381 3.658 20 0 EHADRM Cc1[nH]c(C(=O)Nc2nc3c(ccc(F)c3C)s2)c(C)c1C(=O)[O-] ZINC000832845805 601750298 /nfs/dbraw/zinc/75/02/98/601750298.db2.gz BOVQWQQPEWMTFT-UHFFFAOYSA-N -1 0 347.371 3.639 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1sccc1SC(F)F)C1CCCCC1 ZINC000833124948 601754399 /nfs/dbraw/zinc/75/43/99/601754399.db2.gz HHTAKOPBXWMVHV-SNVBAGLBSA-N -1 0 349.424 3.826 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)C1CCCCC1 ZINC000833125799 601756499 /nfs/dbraw/zinc/75/64/99/601756499.db2.gz QHKQLQSUGQKIJE-OAGGEKHMSA-N -1 0 335.831 3.593 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc3oc4ccccc4c3c2)C[C@@H]1C(=O)[O-] ZINC000828376793 601770240 /nfs/dbraw/zinc/77/02/40/601770240.db2.gz DXSKBNBVBYAICG-NHYWBVRUSA-N -1 0 338.363 3.770 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NCCc1ccc(F)cc1C ZINC000325179021 601772909 /nfs/dbraw/zinc/77/29/09/601772909.db2.gz AGDBAKJMAQJNIP-UHFFFAOYSA-N -1 0 330.359 3.505 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(-c3ccccc3)cc2F)C[C@@H]1C(=O)[O-] ZINC000828368641 601776205 /nfs/dbraw/zinc/77/62/05/601776205.db2.gz GLRYZFJRSMPKFG-WFASDCNBSA-N -1 0 342.370 3.677 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccccc2SC2CCCC2)C[C@@H]1C(=O)[O-] ZINC000828386100 601776702 /nfs/dbraw/zinc/77/67/02/601776702.db2.gz LGJGDJSQGAAIEU-OCCSQVGLSA-N -1 0 348.468 3.906 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cccc(-c3cccs3)c2)C[C@@H]1C(=O)[O-] ZINC000828379470 601790743 /nfs/dbraw/zinc/79/07/43/601790743.db2.gz ZCIGLWSCKGMNKM-RISCZKNCSA-N -1 0 330.409 3.600 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(SC(C)(C)C)cc2)C[C@@H]1C(=O)[O-] ZINC000828378397 601790751 /nfs/dbraw/zinc/79/07/51/601790751.db2.gz QITHZXICTOJMBZ-FZMZJTMJSA-N -1 0 336.457 3.762 20 0 EHADRM O=C([O-])CCC1CCN(C(=S)Nc2ccccc2Cl)CC1 ZINC000833224548 601794338 /nfs/dbraw/zinc/79/43/38/601794338.db2.gz YLKPIPYYXXMALK-UHFFFAOYSA-N -1 0 326.849 3.614 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)Oc2cc(OC)ccc2C(=O)[O-])c1 ZINC000832533815 601800581 /nfs/dbraw/zinc/80/05/81/601800581.db2.gz QIGZAPPCANZMID-LBPRGKRZSA-N -1 0 344.363 3.501 20 0 EHADRM Cc1cc(CCCC(=O)N[C@H](C(=O)[O-])c2ccccc2)c(C)s1 ZINC000237606882 601802389 /nfs/dbraw/zinc/80/23/89/601802389.db2.gz SLMCDICZHDFJHA-KRWDZBQOSA-N -1 0 331.437 3.630 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc(F)cc(Cl)c2)c(F)cc1F ZINC000833149760 601802812 /nfs/dbraw/zinc/80/28/12/601802812.db2.gz BIZHSPAMSAYXEB-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM C[C@H](C(=O)NC1CCC(C(=O)[O-])CC1)c1ccc2ccccc2c1 ZINC000237419469 601803036 /nfs/dbraw/zinc/80/30/36/601803036.db2.gz BPIYSVXZJUMCMS-UQHVZDHRSA-N -1 0 325.408 3.703 20 0 EHADRM COc1cccc([C@H](C)CC(=O)Nc2cc(OC)ccc2C(=O)[O-])c1 ZINC000832528958 601803449 /nfs/dbraw/zinc/80/34/49/601803449.db2.gz SRPTZUXRMAIEGJ-GFCCVEGCSA-N -1 0 343.379 3.534 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])s1 ZINC000737548555 601806543 /nfs/dbraw/zinc/80/65/43/601806543.db2.gz KLRKXNKZLGMBMQ-UHFFFAOYSA-N -1 0 335.406 3.840 20 0 EHADRM COc1ccc(OC)c(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])c1 ZINC000832431947 601808032 /nfs/dbraw/zinc/80/80/32/601808032.db2.gz VQRJJSHIFWOTDA-UHFFFAOYSA-N -1 0 347.392 3.593 20 0 EHADRM C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000827890003 601808036 /nfs/dbraw/zinc/80/80/36/601808036.db2.gz KGEKSJXIEQZLGM-SECBINFHSA-N -1 0 349.383 3.869 20 0 EHADRM CC(C)Oc1ccc(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])cn1 ZINC000827042235 601808608 /nfs/dbraw/zinc/80/86/08/601808608.db2.gz NSKYWSMLTPBXKU-UHFFFAOYSA-N -1 0 346.408 3.758 20 0 EHADRM C[C@H](Oc1ccccc1)C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000827896658 601808745 /nfs/dbraw/zinc/80/87/45/601808745.db2.gz VYXNGNAXIBIWKA-JTQLQIEISA-N -1 0 331.393 3.730 20 0 EHADRM C[C@H](C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccc2ccccc2c1 ZINC000825982846 601812367 /nfs/dbraw/zinc/81/23/67/601812367.db2.gz MQYSKJHHNQBSHQ-KBXCAEBGSA-N -1 0 337.419 3.657 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000538585240 601816418 /nfs/dbraw/zinc/81/64/18/601816418.db2.gz BMJWGMCBWTYXBH-AWEZNQCLSA-N -1 0 335.469 3.518 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)CCCCCc2cccs2)CC1 ZINC000538584767 601820992 /nfs/dbraw/zinc/82/09/92/601820992.db2.gz LICACVTUNXDNFQ-UHFFFAOYSA-N -1 0 337.485 3.954 20 0 EHADRM CCCC(O)(CCC)CC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000678979928 601821222 /nfs/dbraw/zinc/82/12/22/601821222.db2.gz ORXDHKDHHIBNPN-UHFFFAOYSA-N -1 0 327.808 3.698 20 0 EHADRM CCC(CC)[C@H](NC(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1)c1cccs1 ZINC000828854568 601821764 /nfs/dbraw/zinc/82/17/64/601821764.db2.gz LFXZLDVYMBWKDF-ZLDLUXBVSA-N -1 0 338.473 3.588 20 0 EHADRM C[C@H](C(=O)N1CCC(CCC(=O)[O-])CC1)c1ccc(Cl)s1 ZINC000574258421 601822116 /nfs/dbraw/zinc/82/21/16/601822116.db2.gz NVAVWHCRDMLOFW-JTQLQIEISA-N -1 0 329.849 3.608 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)N2CCC(CCC(=O)[O-])CC2)c(C)c1 ZINC000659397224 601826977 /nfs/dbraw/zinc/82/69/77/601826977.db2.gz WIVMKDMUIXNZDK-MRXNPFEDSA-N -1 0 346.471 3.521 20 0 EHADRM CC[C@H](CNc1nc(Cl)c(C(=O)[O-])s1)Oc1cccc(F)c1 ZINC000828890454 601829328 /nfs/dbraw/zinc/82/93/28/601829328.db2.gz GMDMHYBBYSYXCO-SECBINFHSA-N -1 0 344.795 3.903 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)OCc2cccc(C(=O)[O-])c2)c1 ZINC000832533768 601843303 /nfs/dbraw/zinc/84/33/03/601843303.db2.gz PUHPYJCASTTXHD-ZDUSSCGKSA-N -1 0 328.364 3.630 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)c1cncc(-c2ccc(Cl)cc2)c1)C(=O)[O-] ZINC000339346407 601846246 /nfs/dbraw/zinc/84/62/46/601846246.db2.gz LHYNWPUGNOXROR-BZNIZROVSA-N -1 0 346.814 3.631 20 0 EHADRM O=C([O-])c1ccc(CSCc2noc(Cc3ccccc3)n2)s1 ZINC000833317431 601846678 /nfs/dbraw/zinc/84/66/78/601846678.db2.gz VNHHPBDUXGOTES-UHFFFAOYSA-N -1 0 346.433 3.854 20 0 EHADRM C[C@@H](SCc1ccc(C(=O)[O-])s1)C(=O)N[C@@H](C)c1ccccc1 ZINC000827907971 601846764 /nfs/dbraw/zinc/84/67/64/601846764.db2.gz DLZLITIOWYZUEH-NWDGAFQWSA-N -1 0 349.477 3.945 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cncc(-c2ccccc2)c1)c1ccccc1 ZINC000769516312 601847472 /nfs/dbraw/zinc/84/74/72/601847472.db2.gz YIRWXEYEVHSNRP-LJQANCHMSA-N -1 0 346.386 3.694 20 0 EHADRM CN(C(=O)c1cncc(-c2ccccc2)c1)c1ccccc1C(=O)[O-] ZINC000830537375 601847553 /nfs/dbraw/zinc/84/75/53/601847553.db2.gz GNNNXHWQGAMYST-UHFFFAOYSA-N -1 0 332.359 3.723 20 0 EHADRM CCCN(C)c1ccc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000829464893 601849626 /nfs/dbraw/zinc/84/96/26/601849626.db2.gz SZMVSXGUNPWXFT-UHFFFAOYSA-N -1 0 330.359 3.622 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)N[C@@H](c2ccccc2)C2CCC2)c1 ZINC000666525937 601868417 /nfs/dbraw/zinc/86/84/17/601868417.db2.gz HSXXIZWLMKOLML-SFHVURJKSA-N -1 0 338.407 3.725 20 0 EHADRM CCO[C@H](C(=O)Oc1ccc(SCC(=O)[O-])cc1)c1ccccc1 ZINC000829901789 601870446 /nfs/dbraw/zinc/87/04/46/601870446.db2.gz RRWKJPRANNXINE-KRWDZBQOSA-N -1 0 346.404 3.547 20 0 EHADRM CC(C)(C(=O)Oc1ccc(SCC(=O)[O-])cc1)c1ccccc1 ZINC000826127323 601877929 /nfs/dbraw/zinc/87/79/29/601877929.db2.gz QSPYDOMWDKAOLG-UHFFFAOYSA-N -1 0 330.405 3.747 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000830363031 601886882 /nfs/dbraw/zinc/88/68/82/601886882.db2.gz NEBAGCPGOOECSJ-BZNIZROVSA-N -1 0 335.425 3.564 20 0 EHADRM COC(=O)c1ccc(CSc2nc3ccc(C(=O)[O-])cc3o2)s1 ZINC000831384917 601895388 /nfs/dbraw/zinc/89/53/88/601895388.db2.gz GOMSJPOAOHGNNU-UHFFFAOYSA-N -1 0 349.389 3.666 20 0 EHADRM CC[C@@H](C)Oc1ccc(NC(=O)C2CCC(NC(=O)[O-])CC2)cc1 ZINC000739248366 601899342 /nfs/dbraw/zinc/89/93/42/601899342.db2.gz JCIUOYUUKXTYAV-DNOWBOINSA-N -1 0 334.416 3.629 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)C2CCC(NC(=O)[O-])CC2)c1 ZINC000739251182 601904204 /nfs/dbraw/zinc/90/42/04/601904204.db2.gz UKILBYBBCWCSMS-HSBZDZAISA-N -1 0 334.416 3.629 20 0 EHADRM O=C([O-])NC1CCC(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000740554347 601905499 /nfs/dbraw/zinc/90/54/99/601905499.db2.gz VVUFYLTVDCAAOF-OPQOLIRYSA-N -1 0 344.455 3.655 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)c1ccc(C(F)F)cc1 ZINC000833131885 601906794 /nfs/dbraw/zinc/90/67/94/601906794.db2.gz JWHMZRLSYWDILF-KBPBESRZSA-N -1 0 325.355 3.778 20 0 EHADRM CN(C(=O)[C@@H]1CC12CCC2)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000830457892 601908267 /nfs/dbraw/zinc/90/82/67/601908267.db2.gz OXBRPRWXKPTTMO-GWCFXTLKSA-N -1 0 342.222 3.768 20 0 EHADRM Cc1oc(CSCC(=O)N(C(C)C)C2CCCC2)cc1C(=O)[O-] ZINC000833027576 601912279 /nfs/dbraw/zinc/91/22/79/601912279.db2.gz VIQLBXBQHJWVKZ-UHFFFAOYSA-N -1 0 339.457 3.699 20 0 EHADRM C[C@H](CNc1ccccc1)NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000827512743 601915074 /nfs/dbraw/zinc/91/50/74/601915074.db2.gz RSWRTEZLRUYBFA-LLVKDONJSA-N -1 0 346.362 3.538 20 0 EHADRM Cc1ccc(CCC(=O)NCc2cccc(C(=O)[O-])c2)cc1Cl ZINC000320041701 601917780 /nfs/dbraw/zinc/91/77/80/601917780.db2.gz QZVKAXRCNHYTKH-UHFFFAOYSA-N -1 0 331.799 3.596 20 0 EHADRM COc1ccc(CNC(=O)c2ccc(C(C)(C)C)s2)cc1C(=O)[O-] ZINC000832342105 601961162 /nfs/dbraw/zinc/96/11/62/601961162.db2.gz SBLXRJLLQBPWCR-UHFFFAOYSA-N -1 0 347.436 3.682 20 0 EHADRM Cc1cc(C(=O)N2CCC(CCC(=O)[O-])CC2)c(Cl)cc1F ZINC000538583369 601969686 /nfs/dbraw/zinc/96/96/86/601969686.db2.gz GBNDTQBWXJJCHN-UHFFFAOYSA-N -1 0 327.783 3.505 20 0 EHADRM C[C@H](C1CC1)N(C)C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000827212627 601977819 /nfs/dbraw/zinc/97/78/19/601977819.db2.gz FZFDNNHQDURQCU-MRVPVSSYSA-N -1 0 330.306 3.666 20 0 EHADRM Cc1cccnc1NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000832983624 601980312 /nfs/dbraw/zinc/98/03/12/601980312.db2.gz LLMZQOBGEJHJCF-UHFFFAOYSA-N -1 0 339.273 3.751 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)c1cccc(Cl)c1F ZINC000692409655 601988925 /nfs/dbraw/zinc/98/89/25/601988925.db2.gz SJFAYAWFPBLFQW-UHFFFAOYSA-N -1 0 335.762 3.596 20 0 EHADRM CC(C)(CCc1ccccc1)NC(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000738745974 601998805 /nfs/dbraw/zinc/99/88/05/601998805.db2.gz DNZVJRKGIVAPCA-UHFFFAOYSA-N -1 0 340.423 3.847 20 0 EHADRM O=C([O-])NCCc1ccc(CNCc2c(F)cccc2Cl)cc1 ZINC000740672858 602003816 /nfs/dbraw/zinc/00/38/16/602003816.db2.gz YYEODCAHIOBTTB-UHFFFAOYSA-N -1 0 336.794 3.579 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@H]2SCCc3ccccc32)s1 ZINC000833314940 602011627 /nfs/dbraw/zinc/01/16/27/602011627.db2.gz BMEOOJAHHNTRNQ-AWEZNQCLSA-N -1 0 334.418 3.520 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cncc(-c3ccccc3)c2)cc1 ZINC000833315249 602015701 /nfs/dbraw/zinc/01/57/01/602015701.db2.gz PHXWDMVNCBLGPJ-UHFFFAOYSA-N -1 0 333.343 3.804 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000238102414 602021054 /nfs/dbraw/zinc/02/10/54/602021054.db2.gz NFRKRHMHZSIHGS-NQIIRXRSSA-N -1 0 343.467 3.822 20 0 EHADRM O=C([O-])Nc1cc(C(=O)OC[C@@H]2CCCCO2)cc(C(F)(F)F)c1 ZINC000833283322 602036368 /nfs/dbraw/zinc/03/63/68/602036368.db2.gz HCUNPVZDFIVRCN-LBPRGKRZSA-N -1 0 347.289 3.521 20 0 EHADRM Cn1c2ccccc2c(Cl)c1C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000740277450 602036345 /nfs/dbraw/zinc/03/63/45/602036345.db2.gz KEDGUJXDTJOLII-UHFFFAOYSA-N -1 0 344.758 3.569 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)Nc1ccc2[nH]ccc2c1 ZINC000833157139 602037933 /nfs/dbraw/zinc/03/79/33/602037933.db2.gz MKUZHACIGZGKBG-HOCLYGCPSA-N -1 0 329.400 3.713 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cc3cc(F)ccc3s2)cn1 ZINC000740712319 602038256 /nfs/dbraw/zinc/03/82/56/602038256.db2.gz NJIHUAKAFMWVBV-UHFFFAOYSA-N -1 0 331.328 3.778 20 0 EHADRM CC(C)C[C@H]1CCCCN1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000826832344 602041648 /nfs/dbraw/zinc/04/16/48/602041648.db2.gz PXUAAVVHHNCPJD-MRXNPFEDSA-N -1 0 333.432 3.887 20 0 EHADRM O=C([O-])c1cc(NC(=O)/C=C\SCc2ccco2)c(F)cc1F ZINC000833092332 602051965 /nfs/dbraw/zinc/05/19/65/602051965.db2.gz CQRPICRWFSUAEB-HYXAFXHYSA-N -1 0 339.319 3.642 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000062232928 602054151 /nfs/dbraw/zinc/05/41/51/602054151.db2.gz RYHMJMMGACJODF-UHFFFAOYSA-N -1 0 336.476 3.680 20 0 EHADRM C[C@H](NC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccc(C(C)(C)C)cc1 ZINC000263142529 602061239 /nfs/dbraw/zinc/06/12/39/602061239.db2.gz ZYBPQJCPLXMIGI-ORAYPTAESA-N -1 0 332.444 3.551 20 0 EHADRM C[C@@H]1C[C@H]1C(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC000828192371 602062843 /nfs/dbraw/zinc/06/28/43/602062843.db2.gz ODBUKRSMPHYAPG-IUODEOHRSA-N -1 0 325.364 3.558 20 0 EHADRM CC(C)CC(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC000826753751 602063937 /nfs/dbraw/zinc/06/39/37/602063937.db2.gz FQGHNFUCSJWYOZ-UHFFFAOYSA-N -1 0 327.380 3.948 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)c1 ZINC000345777743 602069427 /nfs/dbraw/zinc/06/94/27/602069427.db2.gz MNCCNTLKCOGHAW-HZPDHXFCSA-N -1 0 329.783 3.709 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)C2(c3cccc(F)c3)CCC2)c1 ZINC000263123225 602073371 /nfs/dbraw/zinc/07/33/71/602073371.db2.gz DWQMNBVDPCALBS-UHFFFAOYSA-N -1 0 327.355 3.513 20 0 EHADRM CC(C)[C@@H]1c2ccccc2CCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000826747844 602080195 /nfs/dbraw/zinc/08/01/95/602080195.db2.gz ROITVEHXIXMCAG-MRXNPFEDSA-N -1 0 329.421 3.842 20 0 EHADRM O=C([O-])[C@@H](OC(=O)Cc1ccsc1)c1cc(Cl)cc(Cl)c1 ZINC000833120270 602081222 /nfs/dbraw/zinc/08/12/22/602081222.db2.gz VNXATMHNHHFFJY-ZDUSSCGKSA-N -1 0 345.203 3.967 20 0 EHADRM Cc1nc(NC(=O)c2cc(C(F)(F)F)ccc2F)sc1C(=O)[O-] ZINC000833002397 602101596 /nfs/dbraw/zinc/10/15/96/602101596.db2.gz XGHWURSGJUUYEV-UHFFFAOYSA-N -1 0 348.277 3.560 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)Nc1cc(C)c(C(=O)[O-])s1 ZINC000829009353 602102142 /nfs/dbraw/zinc/10/21/42/602102142.db2.gz BZPHKMFBBOMVRD-LBPRGKRZSA-N -1 0 325.430 3.821 20 0 EHADRM COc1cccc(CNc2ccc(OCC(=O)[O-])c3ccccc23)c1 ZINC000832553929 602114309 /nfs/dbraw/zinc/11/43/09/602114309.db2.gz IFWANNISCVFOGR-UHFFFAOYSA-N -1 0 337.375 3.924 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1cccc(Cl)c1F)c1ccccc1 ZINC000828595448 602126500 /nfs/dbraw/zinc/12/65/00/602126500.db2.gz YPTVHPJAZRMHAY-CQSZACIVSA-N -1 0 335.762 3.989 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NCc2nnc(-c3cccc(F)c3)o2)c1 ZINC000833298071 602129425 /nfs/dbraw/zinc/12/94/25/602129425.db2.gz SIQKXXNFCABKEG-UHFFFAOYSA-N -1 0 347.733 3.839 20 0 EHADRM Cc1cc(CNC(=O)[C@H](C)CC(=O)[O-])ccc1Oc1ccc(F)cc1 ZINC000832882235 602132940 /nfs/dbraw/zinc/13/29/40/602132940.db2.gz DORNVSRSDOCAAO-CYBMUJFWSA-N -1 0 345.370 3.653 20 0 EHADRM COc1cc(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])ccc1F ZINC000831882764 602136351 /nfs/dbraw/zinc/13/63/51/602136351.db2.gz OXHYYEPVPQVICD-UHFFFAOYSA-N -1 0 335.356 3.724 20 0 EHADRM CCC[C@](C)(NC(=O)[O-])C(=O)N[C@@H](C)c1ccccc1C(F)(F)F ZINC000739287457 602137125 /nfs/dbraw/zinc/13/71/25/602137125.db2.gz DIYQXIZDODGWIE-BONVTDFDSA-N -1 0 346.349 3.709 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000827873424 602150862 /nfs/dbraw/zinc/15/08/62/602150862.db2.gz IXHWWQFUNOEJOL-AWEZNQCLSA-N -1 0 348.443 3.563 20 0 EHADRM CCC[C@](C)(NC(=O)[O-])C(=O)Nc1cccc(SC(F)F)c1 ZINC000739300297 602152649 /nfs/dbraw/zinc/15/26/49/602152649.db2.gz YZSXZJYGWUPZSY-AWEZNQCLSA-N -1 0 332.372 3.766 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000829009347 602152752 /nfs/dbraw/zinc/15/27/52/602152752.db2.gz BWHSLODPXPDVAV-RDTXWAMCSA-N -1 0 345.439 3.719 20 0 EHADRM Cc1cccc(Oc2ccc(NC(=O)[C@@H](C)CC(=O)[O-])cn2)c1C ZINC000832975349 602164320 /nfs/dbraw/zinc/16/43/20/602164320.db2.gz RMPMFZHLVKEIBC-LBPRGKRZSA-N -1 0 328.368 3.540 20 0 EHADRM CCCCC[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1F)C(=O)[O-] ZINC000829327155 602165117 /nfs/dbraw/zinc/16/51/17/602165117.db2.gz WCFREWVZFVJUJZ-GFCCVEGCSA-N -1 0 335.297 3.608 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000832958513 602173783 /nfs/dbraw/zinc/17/37/83/602173783.db2.gz JARRXGWQRNZKER-KRWDZBQOSA-N -1 0 336.391 3.731 20 0 EHADRM O=C([O-])c1csc(NC(=O)CCOc2cccc(Cl)c2)c1 ZINC000191371397 602178564 /nfs/dbraw/zinc/17/85/64/602178564.db2.gz DALNOSAAPJCPET-UHFFFAOYSA-N -1 0 325.773 3.507 20 0 EHADRM CCCCOc1ccc(C(=O)Nc2cc(C(=O)[O-])cs2)cc1OC ZINC000562401662 602179923 /nfs/dbraw/zinc/17/99/23/602179923.db2.gz CEIVTQKIDHICEB-UHFFFAOYSA-N -1 0 349.408 3.886 20 0 EHADRM O=C([O-])c1csc(NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)c1 ZINC000565987737 602182926 /nfs/dbraw/zinc/18/29/26/602182926.db2.gz KWUVQCULYWBUAI-KBXCAEBGSA-N -1 0 327.405 3.679 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N1CCc2cc(Cl)cc(Cl)c2[C@H]1C ZINC000827262261 602196978 /nfs/dbraw/zinc/19/69/78/602196978.db2.gz HGYUUSRCCFPJMP-DTWKUNHWSA-N -1 0 330.211 3.550 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739056002 602198917 /nfs/dbraw/zinc/19/89/17/602198917.db2.gz PBCLNOCONRKAKF-ZDUSSCGKSA-N -1 0 344.436 3.715 20 0 EHADRM CC(C)CC[C@H]1CCCCN1C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000663059144 602201943 /nfs/dbraw/zinc/20/19/43/602201943.db2.gz BLNURJVQWUTDCO-MRXNPFEDSA-N -1 0 333.428 3.581 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(CNC(=O)[O-])c2)c2ccccc2n1 ZINC000740058391 602202751 /nfs/dbraw/zinc/20/27/51/602202751.db2.gz JGAZNGJAUGDSNF-UHFFFAOYSA-N -1 0 335.363 3.563 20 0 EHADRM CCC(CC)NC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000828861654 602224217 /nfs/dbraw/zinc/22/42/17/602224217.db2.gz DDEIEZYJCQDEKT-UHFFFAOYSA-N -1 0 330.384 3.613 20 0 EHADRM COc1ccc(C(C)(C)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000237160180 602246091 /nfs/dbraw/zinc/24/60/91/602246091.db2.gz LBZMCIJOVDFXFS-UHFFFAOYSA-N -1 0 327.380 3.618 20 0 EHADRM Cc1ccc(SCc2cccc(C(=O)N[C@H](C)C(=O)[O-])c2)c(C)c1 ZINC000237353557 602250273 /nfs/dbraw/zinc/25/02/73/602250273.db2.gz MGXHCSMGMLQVKJ-CQSZACIVSA-N -1 0 343.448 3.799 20 0 EHADRM CSCCCCC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000832762939 602259921 /nfs/dbraw/zinc/25/99/21/602259921.db2.gz KWKJFQUHCXFTMQ-UHFFFAOYSA-N -1 0 347.436 3.775 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cc(C(F)(F)F)ccc2F)s1 ZINC000833316299 602263029 /nfs/dbraw/zinc/26/30/29/602263029.db2.gz YNXJRGOITBWFSS-UHFFFAOYSA-N -1 0 348.273 3.961 20 0 EHADRM CC(C)[C@@H](NC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)C(=O)[O-] ZINC000236650005 602284715 /nfs/dbraw/zinc/28/47/15/602284715.db2.gz DCCLXJCEZGBQDP-LWMSPQMPSA-N -1 0 349.736 3.511 20 0 EHADRM O=C([O-])Nc1ccc(C(F)(F)F)cc1NC(=O)c1cscn1 ZINC000740701852 602295581 /nfs/dbraw/zinc/29/55/81/602295581.db2.gz NVOAGBRDVQFVJH-UHFFFAOYSA-N -1 0 331.275 3.504 20 0 EHADRM O=C([O-])Nc1ccc(OCc2cn(-c3ccc(Cl)cc3)nn2)cc1 ZINC000833289066 602302122 /nfs/dbraw/zinc/30/21/22/602302122.db2.gz DZXIPNUSKIHHLY-UHFFFAOYSA-N -1 0 344.758 3.590 20 0 EHADRM CN(C)C(=O)Sc1ccc(CNc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000830563077 602303529 /nfs/dbraw/zinc/30/35/29/602303529.db2.gz DHRNHGIYBNNRLC-UHFFFAOYSA-N -1 0 348.399 3.910 20 0 EHADRM C[C@H](Sc1ccccn1)c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000827922792 602309230 /nfs/dbraw/zinc/30/92/30/602309230.db2.gz YXIGPJUIVIGYGX-JTQLQIEISA-N -1 0 327.365 3.683 20 0 EHADRM C[C@H]1CC[C@H](CC(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)C1 ZINC000828221509 602312675 /nfs/dbraw/zinc/31/26/75/602312675.db2.gz QWQPSUZFDZPHIO-STQMWFEESA-N -1 0 339.382 3.594 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)N2CCCc3cccc(Cl)c32)cc1 ZINC000740670732 602324168 /nfs/dbraw/zinc/32/41/68/602324168.db2.gz GAUYQNCUZXCUBB-UHFFFAOYSA-N -1 0 344.798 3.701 20 0 EHADRM O=C([O-])NC1(C(=O)Nc2ccc(SC(F)F)cc2)CCCC1 ZINC000740542241 602327183 /nfs/dbraw/zinc/32/71/83/602327183.db2.gz DKMIULADLYOTCO-UHFFFAOYSA-N -1 0 330.356 3.520 20 0 EHADRM Cc1ccc(NC(=O)C2(c3ccccc3)CCN(C(=O)[O-])CC2)cc1 ZINC000740133318 602328950 /nfs/dbraw/zinc/32/89/50/602328950.db2.gz FQSVWVXGSFATQE-UHFFFAOYSA-N -1 0 338.407 3.645 20 0 EHADRM Cc1cc(CCCC(=O)N(C)c2ncc(C(=O)[O-])s2)c(C)s1 ZINC000832882035 602334432 /nfs/dbraw/zinc/33/44/32/602334432.db2.gz WMCAQKVKLSIOCD-UHFFFAOYSA-N -1 0 338.454 3.505 20 0 EHADRM CC[C@@H](CC(=O)N(C1CC1)C1CCN(C(=O)[O-])CC1)c1ccccc1 ZINC000739248460 602336635 /nfs/dbraw/zinc/33/66/35/602336635.db2.gz HBLMIUCGUCBCQO-HNNXBMFYSA-N -1 0 344.455 3.704 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1OC(=O)CC1CCSCC1 ZINC000833097189 602347070 /nfs/dbraw/zinc/34/70/70/602347070.db2.gz JHVIZANRJZMKBS-UHFFFAOYSA-N -1 0 330.405 3.977 20 0 EHADRM Cn1cc(NC(=O)Nc2ccc(COC(C)(C)C)cc2)cc1C(=O)[O-] ZINC000833048974 602355334 /nfs/dbraw/zinc/35/53/34/602355334.db2.gz HBOMIBPHFTXEKZ-UHFFFAOYSA-N -1 0 345.399 3.682 20 0 EHADRM CC(C)N(CCCNC(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000738846028 602356529 /nfs/dbraw/zinc/35/65/29/602356529.db2.gz HWWDHEMPYGZJKC-UHFFFAOYSA-N -1 0 333.215 3.502 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)c(Cl)cc1F ZINC000832865241 602357567 /nfs/dbraw/zinc/35/75/67/602357567.db2.gz WIWRZVJNFJQELY-UHFFFAOYSA-N -1 0 325.698 3.877 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000832852943 602358362 /nfs/dbraw/zinc/35/83/62/602358362.db2.gz CMXISENFZZWIAT-NSHDSACASA-N -1 0 341.367 3.661 20 0 EHADRM CCOc1ccc2cc(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)[nH]c2c1 ZINC000767206635 602358433 /nfs/dbraw/zinc/35/84/33/602358433.db2.gz BLSVXRYTKJNHPB-UHFFFAOYSA-N -1 0 342.326 3.656 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N(Cc2cccs2)C2CC2)cc1F ZINC000322867861 602368595 /nfs/dbraw/zinc/36/85/95/602368595.db2.gz OUCGHKCREGTQOB-UHFFFAOYSA-N -1 0 334.372 3.782 20 0 EHADRM Cc1ccc(SCCNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000832958243 602372107 /nfs/dbraw/zinc/37/21/07/602372107.db2.gz XUTOYNRHVZOGNO-UHFFFAOYSA-N -1 0 348.399 3.746 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccc(F)c(F)c1 ZINC000827671065 602372971 /nfs/dbraw/zinc/37/29/71/602372971.db2.gz CCCZAZVKCHFAOM-QMMMGPOBSA-N -1 0 338.285 3.685 20 0 EHADRM Cc1csc([C@H](NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)C2CC2)n1 ZINC000832988757 602373506 /nfs/dbraw/zinc/37/35/06/602373506.db2.gz GDWDUPBGIGNUHX-CYBMUJFWSA-N -1 0 349.387 3.562 20 0 EHADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)C1CCC(NC(=O)[O-])CC1 ZINC000739057643 602381340 /nfs/dbraw/zinc/38/13/40/602381340.db2.gz MDNQZTYTLLXTTN-XIKARTHZSA-N -1 0 338.835 3.686 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)C2CCC(NC(=O)[O-])CC2)c(C)c1 ZINC000740109971 602381715 /nfs/dbraw/zinc/38/17/15/602381715.db2.gz LCMAFZFTOIPQPY-FHERZECASA-N -1 0 332.444 3.649 20 0 EHADRM CCOc1cc(Cl)ccc1NC(=O)NCCCCCC(=O)[O-] ZINC000830050115 602381670 /nfs/dbraw/zinc/38/16/70/602381670.db2.gz XXAXSTXKTQQGLP-UHFFFAOYSA-N -1 0 328.796 3.505 20 0 EHADRM CCN(Cc1ccccc1Cl)C(=O)C1CCC(NC(=O)[O-])CC1 ZINC000739446180 602382055 /nfs/dbraw/zinc/38/20/55/602382055.db2.gz VYYCFTJYXCGKHX-UHFFFAOYSA-N -1 0 338.835 3.515 20 0 EHADRM CN(C(=O)C1CCC(NC(=O)[O-])CC1)C1CCC(C(C)(C)C)CC1 ZINC000739576176 602384125 /nfs/dbraw/zinc/38/41/25/602384125.db2.gz XOWYIZQFQZVSHR-UHFFFAOYSA-N -1 0 338.492 3.876 20 0 EHADRM CN(c1ccccc1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)C1CCCC1 ZINC000830888295 602393053 /nfs/dbraw/zinc/39/30/53/602393053.db2.gz JVWVBYFOZCXRGV-CABCVRRESA-N -1 0 344.455 3.895 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc(SC(F)(F)F)cc1)C1CCCC1 ZINC000319743260 602400261 /nfs/dbraw/zinc/40/02/61/602400261.db2.gz SRHLIJVUWWAZNX-UHFFFAOYSA-N -1 0 347.358 3.768 20 0 EHADRM O=C([O-])N1CCC[C@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000738641765 602405643 /nfs/dbraw/zinc/40/56/43/602405643.db2.gz OHZZJLMNLBIWIA-JTQLQIEISA-N -1 0 341.289 3.613 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc([C@H]2Cc3ccccc3S2)n1 ZINC000738817021 602407730 /nfs/dbraw/zinc/40/77/30/602407730.db2.gz NXJZZKVAIFVFJX-WCQYABFASA-N -1 0 333.413 3.814 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(COc2ccccc2Cl)n1 ZINC000738825526 602409239 /nfs/dbraw/zinc/40/92/39/602409239.db2.gz XHMVKPBHDFSFTQ-LLVKDONJSA-N -1 0 339.779 3.657 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(CCc2c[nH]c3ccccc23)n1 ZINC000738818975 602409798 /nfs/dbraw/zinc/40/97/98/602409798.db2.gz CUNBKWPFJABBNP-OAHLLOKOSA-N -1 0 342.399 3.691 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(Cc2cc3ccccc3o2)n1 ZINC000738819039 602409899 /nfs/dbraw/zinc/40/98/99/602409899.db2.gz FOTQZOGYIGSWTD-ZDUSSCGKSA-N -1 0 329.356 3.761 20 0 EHADRM COc1ccccc1[C@H](C)Cc1nc([C@H](CC(C)C)NC(=O)[O-])no1 ZINC000739960923 602410013 /nfs/dbraw/zinc/41/00/13/602410013.db2.gz QYHFAMKECFSLPN-OCCSQVGLSA-N -1 0 347.415 3.779 20 0 EHADRM CC(C)Cc1nc(-c2nc([C@@H](CC(C)C)NC(=O)[O-])no2)cs1 ZINC000738834567 602410916 /nfs/dbraw/zinc/41/09/16/602410916.db2.gz IDXLTGVIAQLHPR-SNVBAGLBSA-N -1 0 338.433 3.746 20 0 EHADRM COc1ccc(O[C@@H](C)c2nc([C@H](CC(C)C)NC(=O)[O-])no2)cc1 ZINC000739933720 602411191 /nfs/dbraw/zinc/41/11/91/602411191.db2.gz ZSRJPZOPHUUTLM-FZMZJTMJSA-N -1 0 349.387 3.573 20 0 EHADRM O=C([O-])NC1(c2noc(Cc3csc4ccccc34)n2)CCCC1 ZINC000740549561 602411891 /nfs/dbraw/zinc/41/18/91/602411891.db2.gz ZHSNBSMPQVXEPV-UHFFFAOYSA-N -1 0 343.408 3.912 20 0 EHADRM CCn1cc(-c2nc(C3(NC(=O)[O-])CCCC3)no2)c2ccccc21 ZINC000739563286 602414017 /nfs/dbraw/zinc/41/40/17/602414017.db2.gz JEMDRPIOJVMOOS-UHFFFAOYSA-N -1 0 340.383 3.748 20 0 EHADRM O=C([O-])NC1(c2noc([C@@H]3CCC[C@H](C(F)(F)F)C3)n2)CCCC1 ZINC000740550375 602414375 /nfs/dbraw/zinc/41/43/75/602414375.db2.gz VBBOKPVBOHFZRW-ZJUUUORDSA-N -1 0 347.337 3.943 20 0 EHADRM CC(C)c1ccc(NC(=O)COc2cccc(CNC(=O)[O-])c2)cc1 ZINC000738874716 602425917 /nfs/dbraw/zinc/42/59/17/602425917.db2.gz AGBHTAAPXYLTQY-UHFFFAOYSA-N -1 0 342.395 3.595 20 0 EHADRM CCN(C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000739383240 602457954 /nfs/dbraw/zinc/45/79/54/602457954.db2.gz YJVZLJYWYDXGSD-QGZVFWFLSA-N -1 0 326.396 3.829 20 0 EHADRM CC(C)c1ccc(NC(=O)N2CCC([C@H](C)NC(=O)[O-])CC2)cc1 ZINC000738876683 602464865 /nfs/dbraw/zinc/46/48/65/602464865.db2.gz NWTJAEJEZDBQNQ-ZDUSSCGKSA-N -1 0 333.432 3.710 20 0 EHADRM O=C([O-])Nc1cc(C(=O)NC2(c3ccccc3)CCC2)ccc1F ZINC000740697854 602482763 /nfs/dbraw/zinc/48/27/63/602482763.db2.gz ZHTKEWBJVZMZIG-UHFFFAOYSA-N -1 0 328.343 3.725 20 0 EHADRM CSc1ccc(C(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)cc1 ZINC000740016215 602487204 /nfs/dbraw/zinc/48/72/04/602487204.db2.gz MVKMSOCBCDWXAA-UHFFFAOYSA-N -1 0 342.420 3.697 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(F)c(NC(=O)[O-])c1)c1nc(C)cs1 ZINC000739271396 602488348 /nfs/dbraw/zinc/48/83/48/602488348.db2.gz NJAWQDFSBXUOSN-LLVKDONJSA-N -1 0 337.376 3.562 20 0 EHADRM C[C@H]1Cc2ccccc2N(C(=O)c2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000739199481 602488446 /nfs/dbraw/zinc/48/84/46/602488446.db2.gz UULYTGZRVMYJTG-NSHDSACASA-N -1 0 328.343 3.755 20 0 EHADRM Cn1ccc2c1cccc2C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000740292118 602510356 /nfs/dbraw/zinc/51/03/56/602510356.db2.gz GKKOOKQOSLBPHQ-UHFFFAOYSA-N -1 0 349.390 3.861 20 0 EHADRM O=C([O-])N1CCc2ccc(NC(=O)c3cc4ccsc4[nH]3)cc2C1 ZINC000740467927 602542977 /nfs/dbraw/zinc/54/29/77/602542977.db2.gz XKHUQTIMWKBVSZ-UHFFFAOYSA-N -1 0 341.392 3.518 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)Nc2nc3c(s2)CCCC3)cc1 ZINC000740711062 602554505 /nfs/dbraw/zinc/55/45/05/602554505.db2.gz QYHVCCWYZZDKFL-UHFFFAOYSA-N -1 0 332.385 3.756 20 0 EHADRM Cc1ccc(F)c(NC(=O)N2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)c1 ZINC000740126750 602581819 /nfs/dbraw/zinc/58/18/19/602581819.db2.gz FDTOJVFXFFSYQL-CJNGLKHVSA-N -1 0 349.406 3.520 20 0 EHADRM Cc1c(Cl)cc(NC(=O)N2CCC(NC(=O)[O-])CC2)cc1Cl ZINC000740051988 602593864 /nfs/dbraw/zinc/59/38/64/602593864.db2.gz HOYCMJOKXJZXJS-UHFFFAOYSA-N -1 0 346.214 3.566 20 0 EHADRM CC(C)c1ccc(NC(=O)N[C@@H]2CCN(C(=O)[O-])C2)c(C(C)C)c1 ZINC000738877208 602598989 /nfs/dbraw/zinc/59/89/89/602598989.db2.gz QITUKVNKKYDHKW-CQSZACIVSA-N -1 0 333.432 3.807 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(NC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000738917778 602599953 /nfs/dbraw/zinc/59/99/53/602599953.db2.gz GFRSXPMBAYJDGX-LLVKDONJSA-N -1 0 331.347 3.841 20 0 EHADRM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000736823151 602605880 /nfs/dbraw/zinc/60/58/80/602605880.db2.gz ARJOIRCFFAJRHP-BZNIZROVSA-N -1 0 325.368 3.832 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2)c1cccs1 ZINC000738978958 602609190 /nfs/dbraw/zinc/60/91/90/602609190.db2.gz DXWQKFCXSUICOU-LLVKDONJSA-N -1 0 345.424 3.667 20 0 EHADRM CCCN(CC(C)C)C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2 ZINC000739355280 602609350 /nfs/dbraw/zinc/60/93/50/602609350.db2.gz XNIDONQGPXUQOG-UHFFFAOYSA-N -1 0 333.432 3.623 20 0 EHADRM CC(C)c1ccc([C@@H](C)NC(=O)N2CC[C@H](CN(C)C(=O)[O-])C2)cc1 ZINC000738875405 602609972 /nfs/dbraw/zinc/60/99/72/602609972.db2.gz GKOGLSLMZJALIV-HUUCEWRRSA-N -1 0 347.459 3.512 20 0 EHADRM Cc1ccc(-c2csc(CN3CCC(NC(=O)[O-])CC3)n2)cc1C ZINC000740095039 602650343 /nfs/dbraw/zinc/65/03/43/602650343.db2.gz OWCLFAILNNWZAR-UHFFFAOYSA-N -1 0 345.468 3.659 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)c2ccc(F)c(NC(=O)[O-])c2)c(C)c1 ZINC000740120714 602673427 /nfs/dbraw/zinc/67/34/27/602673427.db2.gz MKQDUJKOSVDOPH-ZDUSSCGKSA-N -1 0 344.386 3.893 20 0 EHADRM C[C@H](C(=O)Nc1ccccc1CN(C)C(=O)[O-])c1ccccc1F ZINC000738638686 602686044 /nfs/dbraw/zinc/68/60/44/602686044.db2.gz NRVXVLNPNJFYBK-LBPRGKRZSA-N -1 0 330.359 3.678 20 0 EHADRM Cc1cc(NC(=O)c2cccn2C2CCN(C(=O)[O-])CC2)ccc1F ZINC000740091522 602699358 /nfs/dbraw/zinc/69/93/58/602699358.db2.gz PUSISHUFGNVWOU-UHFFFAOYSA-N -1 0 345.374 3.503 20 0 EHADRM C[C@@H](CC(=O)Nc1cc(NC(=O)[O-])ccc1F)C(=O)c1ccccc1 ZINC000738890283 602711204 /nfs/dbraw/zinc/71/12/04/602711204.db2.gz GEMLBOVVWOYQKC-NSHDSACASA-N -1 0 344.342 3.763 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2cc(-c3ccccc3F)no2)cc1 ZINC000738660104 602720179 /nfs/dbraw/zinc/72/01/79/602720179.db2.gz FEQAKRQCXINEQW-UHFFFAOYSA-N -1 0 341.298 3.823 20 0 EHADRM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739103410 602750762 /nfs/dbraw/zinc/75/07/62/602750762.db2.gz ZZXZJTOWECJEDV-DYVFJYSZSA-N -1 0 346.427 3.651 20 0 EHADRM CCCN(C(=O)c1ccc(CNC(=O)[O-])o1)[C@H]1CCc2ccccc21 ZINC000826884269 602762027 /nfs/dbraw/zinc/76/20/27/602762027.db2.gz LKUAQOMSSMCOQF-INIZCTEOSA-N -1 0 342.395 3.587 20 0 EHADRM CCCN(CCc1ccccn1)C(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000826911603 602768532 /nfs/dbraw/zinc/76/85/32/602768532.db2.gz CJRCXVIPKHCKMQ-UHFFFAOYSA-N -1 0 341.411 3.575 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)N1CCC[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000740538176 602784307 /nfs/dbraw/zinc/78/43/07/602784307.db2.gz LDIKJTXSVJVBTP-BBWFWOEESA-N -1 0 330.428 3.567 20 0 EHADRM C[C@@H]1CCN(C(=O)CCC(C)(C)NC(=O)[O-])c2ccccc2S1 ZINC000739111810 602788362 /nfs/dbraw/zinc/78/83/62/602788362.db2.gz FLMSTSVVVZHDRI-GFCCVEGCSA-N -1 0 336.457 3.730 20 0 EHADRM CN(Cc1c(Cl)cccc1Cl)C(=O)CCC(C)(C)NC(=O)[O-] ZINC000739706050 602789852 /nfs/dbraw/zinc/78/98/52/602789852.db2.gz ZKCJNEWMDHSRGT-UHFFFAOYSA-N -1 0 347.242 3.778 20 0 EHADRM Cc1nc(NC(=O)CCC(C)(C)NC(=O)[O-])sc1-c1ccccc1 ZINC000740219151 602791578 /nfs/dbraw/zinc/79/15/78/602791578.db2.gz DRABQJWCCUJRFW-UHFFFAOYSA-N -1 0 347.440 3.883 20 0 EHADRM O=C([O-])NC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)cc1Cl ZINC000740630605 602804424 /nfs/dbraw/zinc/80/44/24/602804424.db2.gz LJYRIIHPQBEYLQ-ZANVPECISA-N -1 0 345.226 3.550 20 0 EHADRM C[C@@H]1c2ccc(F)cc2CCN1C(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000739207004 602817018 /nfs/dbraw/zinc/81/70/18/602817018.db2.gz NKNNWPYOTFGMFQ-GFCCVEGCSA-N -1 0 342.370 3.604 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000824817144 602829245 /nfs/dbraw/zinc/82/92/45/602829245.db2.gz OIJKXGIKUPNQJE-LLVKDONJSA-N -1 0 331.347 3.518 20 0 EHADRM C[C@@H](C(=O)N1CCCc2cc(CNC(=O)[O-])ccc21)c1ccsc1 ZINC000738617965 602834031 /nfs/dbraw/zinc/83/40/31/602834031.db2.gz HWJKBUAVLJIYBF-GFCCVEGCSA-N -1 0 344.436 3.599 20 0 EHADRM CCC[C@H](CC1CCCC1)C(=O)N1CCC[C@H](CN(C)C(=O)[O-])C1 ZINC000739306096 602845770 /nfs/dbraw/zinc/84/57/70/602845770.db2.gz PECIQZUFDHRUCA-IAGOWNOFSA-N -1 0 338.492 3.831 20 0 EHADRM Cc1ccc(C(=O)Nc2cc(CC(C)(C)C)nn2C)cc1NC(=O)[O-] ZINC000830230838 602893699 /nfs/dbraw/zinc/89/36/99/602893699.db2.gz SRBFTLCHXHCIGC-UHFFFAOYSA-N -1 0 344.415 3.659 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000824818415 602905270 /nfs/dbraw/zinc/90/52/70/602905270.db2.gz VGDNEINTEUHZIQ-ZDUSSCGKSA-N -1 0 344.386 3.801 20 0 EHADRM CC[C@H](NC(=O)C[C@H]1CCCN1C(=O)[O-])c1ccc(Cl)s1 ZINC000826598966 602938156 /nfs/dbraw/zinc/93/81/56/602938156.db2.gz AZTBYKFZUGUJDG-ZJUUUORDSA-N -1 0 330.837 3.501 20 0 EHADRM C[C@H](C(=O)N1CCC[C@@H]1c1ccco1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823670517 602949454 /nfs/dbraw/zinc/94/94/54/602949454.db2.gz XQEXMKZEAJTEHJ-LXZKKBNFSA-N -1 0 342.395 3.588 20 0 EHADRM CC[C@@H](C)[C@@H](C(=O)N1CCC(CN(C)C(=O)[O-])CC1)c1ccccc1 ZINC000739228612 602956007 /nfs/dbraw/zinc/95/60/07/602956007.db2.gz WBKJPXIPPVPQSZ-CRAIPNDOSA-N -1 0 346.471 3.665 20 0 EHADRM CC(C)c1nn(C)c(Cl)c1C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000736533236 602957013 /nfs/dbraw/zinc/95/70/13/602957013.db2.gz UEXSAFMNZWVQFA-UHFFFAOYSA-N -1 0 337.763 3.506 20 0 EHADRM CN(C)c1ccc([C@H]2C[C@@H]2C(=O)Oc2ccc(NC(=O)[O-])cc2)cc1 ZINC000737376010 602960878 /nfs/dbraw/zinc/96/08/78/602960878.db2.gz AXFSIMGNCAMIHQ-SJORKVTESA-N -1 0 340.379 3.552 20 0 EHADRM CCC[C@@H](NC(=O)[O-])C(=O)N[C@H](Cc1ccccc1)c1cccs1 ZINC000739312398 602962201 /nfs/dbraw/zinc/96/22/01/602962201.db2.gz LRZNHRMXZVLPDL-HUUCEWRRSA-N -1 0 346.452 3.584 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)cc1 ZINC000738667477 602966029 /nfs/dbraw/zinc/96/60/29/602966029.db2.gz PMLXIYCKMCZQLX-OLZOCXBDSA-N -1 0 333.290 3.764 20 0 EHADRM CC(C)(C)n1nc(C(=O)Oc2ccc(NC(=O)[O-])cc2)cc1C1CC1 ZINC000737590679 602967992 /nfs/dbraw/zinc/96/79/92/602967992.db2.gz XDATVOXDNWPBAW-UHFFFAOYSA-N -1 0 343.383 3.825 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)Cc2c[nH]c3cc(F)ccc23)cc1 ZINC000738668631 602968584 /nfs/dbraw/zinc/96/85/84/602968584.db2.gz DVYJGFDCNSMZNY-UHFFFAOYSA-N -1 0 328.299 3.545 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)N1CCC[C@@H](NC(=O)[O-])C1 ZINC000737607497 602993954 /nfs/dbraw/zinc/99/39/54/602993954.db2.gz ZCHLJLXJRUWZKK-CQSZACIVSA-N -1 0 348.468 3.617 20 0 EHADRM CC[C@H]1CCCN(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])CC1 ZINC000739267951 602997463 /nfs/dbraw/zinc/99/74/63/602997463.db2.gz LENVIUMQUCNVDK-ZDUSSCGKSA-N -1 0 331.416 3.771 20 0 EHADRM COc1cccc([C@H](C)c2nc([C@H](CC(C)C)NC(=O)[O-])no2)c1 ZINC000739946930 603001273 /nfs/dbraw/zinc/00/12/73/603001273.db2.gz ZIJQLVCLMSLVHJ-FZMZJTMJSA-N -1 0 333.388 3.585 20 0 EHADRM Cc1ccc(-c2noc(CC[C@H](NC(=O)[O-])c3ccccc3)n2)cc1 ZINC000740103341 603005761 /nfs/dbraw/zinc/00/57/61/603005761.db2.gz UQGXXRMMXBWNSP-INIZCTEOSA-N -1 0 337.379 3.987 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)C[C@H]2CCOc3ccccc32)cc1 ZINC000738664987 603007407 /nfs/dbraw/zinc/00/74/07/603007407.db2.gz IZMFEZMGAMMWIH-GFCCVEGCSA-N -1 0 326.352 3.671 20 0 EHADRM Cc1ccc(CC[C@H](C)NC(=O)c2ccc(C)c(NC(=O)[O-])c2)o1 ZINC000830296408 603013254 /nfs/dbraw/zinc/01/32/54/603013254.db2.gz KDQRIKLQNROWIM-LBPRGKRZSA-N -1 0 330.384 3.737 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc(Cc2cccc3ccccc32)n1 ZINC000738909415 603017405 /nfs/dbraw/zinc/01/74/05/603017405.db2.gz BWEUBDRCNDUIHR-GFCCVEGCSA-N -1 0 325.368 3.527 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NCc2nc(-c3ccsc3)no2)c1 ZINC000740703744 603020362 /nfs/dbraw/zinc/02/03/62/603020362.db2.gz RIBAOOPAVMBHRK-UHFFFAOYSA-N -1 0 334.332 3.639 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)NC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000740183357 603024369 /nfs/dbraw/zinc/02/43/69/603024369.db2.gz KEGLODFDKQKGAU-MAUKXSAKSA-N -1 0 340.423 3.614 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000736343292 603029927 /nfs/dbraw/zinc/02/99/27/603029927.db2.gz CQVBJYSVSYNIHK-CQSZACIVSA-N -1 0 348.468 3.617 20 0 EHADRM CCSc1cccc(NC(=O)[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000739515894 603033047 /nfs/dbraw/zinc/03/30/47/603033047.db2.gz CDKAVEOFPQOOIF-HNNXBMFYSA-N -1 0 330.409 3.746 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N[C@H]2CCc3ccccc3C2)c1 ZINC000740706368 603035207 /nfs/dbraw/zinc/03/52/07/603035207.db2.gz JXQSNSDTIUDNJX-ZDUSSCGKSA-N -1 0 343.358 3.595 20 0 EHADRM CC(C)N(CCC(=O)N1C[C@@H](C)C[C@H]1c1cccc(F)c1)C(=O)[O-] ZINC000739083766 603037650 /nfs/dbraw/zinc/03/76/50/603037650.db2.gz PMIQJDANJMXKBA-BBRMVZONSA-N -1 0 336.407 3.514 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000740707656 603038908 /nfs/dbraw/zinc/03/89/08/603038908.db2.gz RZLVLWJLOPKWGX-TZMCWYRMSA-N -1 0 329.331 3.593 20 0 EHADRM CC(C)c1cccc(OCC(=O)Oc2ccc(N(C)C(=O)[O-])cc2)c1 ZINC000824475885 603042225 /nfs/dbraw/zinc/04/22/25/603042225.db2.gz CAJLFHABKMGLEA-UHFFFAOYSA-N -1 0 343.379 3.909 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)cc1 ZINC000827899225 603047495 /nfs/dbraw/zinc/04/74/95/603047495.db2.gz CSXOBZLSNVMTGW-STQMWFEESA-N -1 0 347.317 3.788 20 0 EHADRM CC(C)Oc1cccc(CC(=O)Oc2ccc(N(C)C(=O)[O-])cc2)c1 ZINC000824419232 603049186 /nfs/dbraw/zinc/04/91/86/603049186.db2.gz VVAUVVPDOIVRKH-UHFFFAOYSA-N -1 0 343.379 3.736 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)NC2CCC(NC(=O)[O-])CC2)cc1 ZINC000738874690 603073269 /nfs/dbraw/zinc/07/32/69/603073269.db2.gz CRKNWMLMMWABDX-RWBZWWBESA-N -1 0 346.471 3.999 20 0 EHADRM O=C([O-])N1CCC[C@@H](CNc2ccc(COC3CCCC3)cc2)C1 ZINC000740513213 603090685 /nfs/dbraw/zinc/09/06/85/603090685.db2.gz SWKNOTQNFZEIDI-INIZCTEOSA-N -1 0 332.444 3.948 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)N2CCCC3(C2)CCCCCC3)o1 ZINC000832678243 603090841 /nfs/dbraw/zinc/09/08/41/603090841.db2.gz NCPSKIUFRIDGQA-UHFFFAOYSA-N -1 0 334.416 3.624 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NCc2nc(-c3ccsc3)no2)cc1 ZINC000739018162 603105318 /nfs/dbraw/zinc/10/53/18/603105318.db2.gz WPWWSRKAIDBZIM-SNVBAGLBSA-N -1 0 344.396 3.739 20 0 EHADRM CCc1cccc(CC)c1NC(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000739543045 603135996 /nfs/dbraw/zinc/13/59/96/603135996.db2.gz VGYFLMZQFHKSTG-UHFFFAOYSA-N -1 0 333.432 3.512 20 0 EHADRM CC[C@@H](C)N(Cc1ccccc1)C(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000739242728 603153455 /nfs/dbraw/zinc/15/34/55/603153455.db2.gz DRPALENEAYSGMK-ODIFPOPNSA-N -1 0 347.459 3.576 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)Nc2ccccc2SC(F)F)C1 ZINC000740563668 603155421 /nfs/dbraw/zinc/15/54/21/603155421.db2.gz JSXSIVPBXWLPBU-NXEZZACHSA-N -1 0 344.383 3.766 20 0 EHADRM Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(NC(=O)[O-])cc2)cc1C ZINC000830356658 603157205 /nfs/dbraw/zinc/15/72/05/603157205.db2.gz ABZKNDIEKKSZSC-CYBMUJFWSA-N -1 0 328.368 3.799 20 0 EHADRM Cc1cc(Cl)ccc1NC(=O)COc1ccc(N(C)C(=O)[O-])cc1 ZINC000830050303 603159095 /nfs/dbraw/zinc/15/90/95/603159095.db2.gz LBACSESMKUJXNP-UHFFFAOYSA-N -1 0 348.786 3.780 20 0 EHADRM CCO[C@@H](C)c1nc(COc2ccc(N(C)C(=O)[O-])cc2)cs1 ZINC000827360757 603159812 /nfs/dbraw/zinc/15/98/12/603159812.db2.gz ADKAZQVDNGMIMF-NSHDSACASA-N -1 0 336.413 3.934 20 0 EHADRM Cc1ccc(NC(=O)COc2ccc(N(C)C(=O)[O-])cc2)c(Cl)c1 ZINC000830377296 603160359 /nfs/dbraw/zinc/16/03/59/603160359.db2.gz PSIOVWSIBIAFKI-UHFFFAOYSA-N -1 0 348.786 3.780 20 0 EHADRM Cc1c(Cl)cccc1OCC(=O)Nc1ccccc1NC(=O)[O-] ZINC000740044648 603170278 /nfs/dbraw/zinc/17/02/78/603170278.db2.gz CXESLXLJQYXKBB-UHFFFAOYSA-N -1 0 334.759 3.756 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)[C@H](C)OCc2ccccc2)cc1 ZINC000825612509 603173171 /nfs/dbraw/zinc/17/31/71/603173171.db2.gz SVCIFKKKIQXLDQ-KBPBESRZSA-N -1 0 342.395 3.559 20 0 EHADRM C[C@@H](OCc1ccccc1)C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000825612513 603173681 /nfs/dbraw/zinc/17/36/81/603173681.db2.gz SVCIFKKKIQXLDQ-UONOGXRCSA-N -1 0 342.395 3.559 20 0 EHADRM Cc1ccc(NC(=S)N[C@](C)(CNC(=O)[O-])CC(C)C)c(C)c1 ZINC000740139627 603174187 /nfs/dbraw/zinc/17/41/87/603174187.db2.gz VFCHMOJYQFYIQN-KRWDZBQOSA-N -1 0 337.489 3.662 20 0 EHADRM CCc1ccccc1OCC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000827604682 603175145 /nfs/dbraw/zinc/17/51/45/603175145.db2.gz QYIQBNRQWUQHAF-ZDUSSCGKSA-N -1 0 342.395 3.595 20 0 EHADRM O=C([O-])N1CCN(C(=O)c2cc3occc3s2)c2ccccc2C1 ZINC000740526322 603175825 /nfs/dbraw/zinc/17/58/25/603175825.db2.gz JCZAOPBMWCUYPN-UHFFFAOYSA-N -1 0 342.376 3.635 20 0 EHADRM COc1ccc([C@H](C)C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)cc1 ZINC000829292337 603178259 /nfs/dbraw/zinc/17/82/59/603178259.db2.gz DRPOBRWDJFMRKQ-STQMWFEESA-N -1 0 342.395 3.766 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 ZINC000825616694 603179134 /nfs/dbraw/zinc/17/91/34/603179134.db2.gz IQRAYWRJKNBIKG-RYUDHWBXSA-N -1 0 346.358 3.560 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)[C@H]2CSc3ccccc32)cc1 ZINC000825415722 603180412 /nfs/dbraw/zinc/18/04/12/603180412.db2.gz HSNZBFQBOCNVTH-NHYWBVRUSA-N -1 0 342.420 3.843 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)CCOCc2ccccc2)cc1 ZINC000825415372 603180723 /nfs/dbraw/zinc/18/07/23/603180723.db2.gz FWMFZWVSYMJSOA-AWEZNQCLSA-N -1 0 342.395 3.561 20 0 EHADRM Cc1cccc(C)c1NCC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000830489416 603185940 /nfs/dbraw/zinc/18/59/40/603185940.db2.gz WYZPMXUXNDSOJD-AWEZNQCLSA-N -1 0 341.411 3.683 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2cc(-c3ccco3)on2)cc1 ZINC000825442364 603188466 /nfs/dbraw/zinc/18/84/66/603188466.db2.gz DYLMHMCORIPNIR-SNVBAGLBSA-N -1 0 341.323 3.516 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)N[C@@H](CNC(=O)[O-])CC(C)C ZINC000740160320 603196538 /nfs/dbraw/zinc/19/65/38/603196538.db2.gz UWMSPPWTJSIOKW-CQSZACIVSA-N -1 0 335.448 3.922 20 0 EHADRM Cc1cc(C(F)(F)F)c(Nc2ccc([C@@H](C)NC(=O)[O-])cc2)nn1 ZINC000829981233 603205407 /nfs/dbraw/zinc/20/54/07/603205407.db2.gz WCRFUEDNLJKUBA-SECBINFHSA-N -1 0 340.305 3.876 20 0 EHADRM CCS[C@@H]1CC[C@H](N(C)C(=O)c2ccc(C)c(NC(=O)[O-])c2)C1 ZINC000827494964 603209812 /nfs/dbraw/zinc/20/98/12/603209812.db2.gz FNPOHPCFGZOXEM-UONOGXRCSA-N -1 0 336.457 3.831 20 0 EHADRM Cc1ccc(N(Cc2cccs2)C(=O)[C@H]2CCN(C(=O)[O-])C2)cc1 ZINC000740130963 603216680 /nfs/dbraw/zinc/21/66/80/603216680.db2.gz QOOXSIJGDNBHBS-AWEZNQCLSA-N -1 0 344.436 3.590 20 0 EHADRM CC[C@H]1CN(C(=O)c2cc3ccccc3cc2NC(=O)[O-])CCS1 ZINC000826680644 603216748 /nfs/dbraw/zinc/21/67/48/603216748.db2.gz BWWCWDZOTNHHNT-AWEZNQCLSA-N -1 0 344.436 3.897 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1NC(=O)[O-] ZINC000830206319 603216911 /nfs/dbraw/zinc/21/69/11/603216911.db2.gz ZEAFVSZJSFACNJ-AWEZNQCLSA-N -1 0 326.396 3.836 20 0 EHADRM C[C@@H](C(=O)Nc1cccc2cccnc21)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823724952 603234040 /nfs/dbraw/zinc/23/40/40/603234040.db2.gz VCEIUFIBMNLPSN-CXAGYDPISA-N -1 0 349.390 3.818 20 0 EHADRM CSCCCCNC(=O)c1cc2ccccc2cc1NC(=O)[O-] ZINC000740010903 603240728 /nfs/dbraw/zinc/24/07/28/603240728.db2.gz WTLUKPROAFPWMH-UHFFFAOYSA-N -1 0 332.425 3.803 20 0 EHADRM Cc1cc(C)c(NC(=O)N2CCC[C@@H]2CN(C)C(=O)[O-])c(Cl)c1 ZINC000829990798 603256211 /nfs/dbraw/zinc/25/62/11/603256211.db2.gz IBWDKVDXJYPITK-GFCCVEGCSA-N -1 0 339.823 3.563 20 0 EHADRM O=C([O-])N1CCC[C@@H]1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000831346801 603265586 /nfs/dbraw/zinc/26/55/86/603265586.db2.gz XDYOAPXNEGWPKN-QGZVFWFLSA-N -1 0 338.407 3.748 20 0 EHADRM CC[C@]1(C)CCCN(C(=O)Nc2ccc(NC(=O)[O-])c(OC)c2)C1 ZINC000826643694 603281260 /nfs/dbraw/zinc/28/12/60/603281260.db2.gz ASGQCDNIUYYBDI-QGZVFWFLSA-N -1 0 335.404 3.829 20 0 EHADRM COc1ccc([C@@H](C)N(C)C(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1 ZINC000829303511 603284774 /nfs/dbraw/zinc/28/47/74/603284774.db2.gz PPAFBBQETUSZRZ-CYBMUJFWSA-N -1 0 342.395 3.927 20 0 EHADRM C[C@H](NC(=O)Nc1cccc2c1CCN(C(=O)[O-])C2)c1cccs1 ZINC000738978726 603292922 /nfs/dbraw/zinc/29/29/22/603292922.db2.gz KRPAODFREBLHDO-NSHDSACASA-N -1 0 345.424 3.667 20 0 EHADRM CC[C@H](NC(=O)c1ccc(CNC(=O)[O-])o1)c1cccc(Cl)c1 ZINC000826613069 603300873 /nfs/dbraw/zinc/30/08/73/603300873.db2.gz FIGZFVYWPUAKSN-ZDUSSCGKSA-N -1 0 336.775 3.582 20 0 EHADRM C[C@H](CC(=O)N(Cc1c(Cl)cccc1Cl)C1CC1)NC(=O)[O-] ZINC000824557317 603302301 /nfs/dbraw/zinc/30/23/01/603302301.db2.gz FTBLZZWTHCEGGB-SECBINFHSA-N -1 0 345.226 3.531 20 0 EHADRM CC(C)C[C@@H](C(=O)N1CCC([C@H](C)NC(=O)[O-])CC1)c1ccccc1 ZINC000738802588 603304675 /nfs/dbraw/zinc/30/46/75/603304675.db2.gz BONLCZKVYJKRTO-MAUKXSAKSA-N -1 0 346.471 3.711 20 0 EHADRM CN(CCCNC(=O)[O-])C(=O)Nc1ccccc1-c1cccs1 ZINC000739678077 603314945 /nfs/dbraw/zinc/31/49/45/603314945.db2.gz UZWUPRKVUZKWKL-UHFFFAOYSA-N -1 0 333.413 3.537 20 0 EHADRM Cc1ccc(CCNC(=O)c2ccc(NC(=O)[O-])cc2Cl)cc1 ZINC000740121928 603316527 /nfs/dbraw/zinc/31/65/27/603316527.db2.gz MNTMWDQUUNYXQW-UHFFFAOYSA-N -1 0 332.787 3.711 20 0 EHADRM CCOc1c(F)cccc1C(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000827407930 603323023 /nfs/dbraw/zinc/32/30/23/603323023.db2.gz CIUHKBXITMDQFZ-UHFFFAOYSA-N -1 0 346.358 3.587 20 0 EHADRM Cc1ccccc1[C@@H](C)N(C)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000740183329 603331669 /nfs/dbraw/zinc/33/16/69/603331669.db2.gz JQOJHLGZOIKSLW-CQSZACIVSA-N -1 0 341.411 3.988 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1ccc(CNC(=O)[O-])o1)c1ccc(F)cc1 ZINC000823760790 603340744 /nfs/dbraw/zinc/34/07/44/603340744.db2.gz VSRQFLQYZNSZEY-HNNXBMFYSA-N -1 0 348.374 3.704 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N2CC[C@H](NC(=O)[O-])[C@H](C)C2)cc1 ZINC000738877880 603350486 /nfs/dbraw/zinc/35/04/86/603350486.db2.gz PUEGIGUNRQGWEB-RKVPGOIHSA-N -1 0 346.471 3.808 20 0 EHADRM C[C@H](CCc1ccco1)NC(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000738907186 603355765 /nfs/dbraw/zinc/35/57/65/603355765.db2.gz MBBYWPAXLHJARU-CYBMUJFWSA-N -1 0 345.399 3.532 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1)NC(=O)[O-] ZINC000824584335 603357125 /nfs/dbraw/zinc/35/71/25/603357125.db2.gz YOOWXXJAOIRFID-CZUORRHYSA-N -1 0 332.444 3.694 20 0 EHADRM CCN(Cc1cccs1)C(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000739446416 603359912 /nfs/dbraw/zinc/35/99/12/603359912.db2.gz WJNLPICSUAVNHU-UHFFFAOYSA-N -1 0 347.440 3.912 20 0 EHADRM CCN(CC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1)C(=O)[O-] ZINC000739396225 603388580 /nfs/dbraw/zinc/38/85/80/603388580.db2.gz RLDJANUHHJMXKR-UHFFFAOYSA-N -1 0 334.322 3.570 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)[C@H](C)c2cccc(F)c2)c1 ZINC000739923341 603397543 /nfs/dbraw/zinc/39/75/43/603397543.db2.gz YCORTADOSXHEDI-SNVBAGLBSA-N -1 0 332.331 3.666 20 0 EHADRM O=C([O-])N[C@@H](Cc1nc(C2CCCCC2)no1)Cc1ccccc1 ZINC000832147131 603412087 /nfs/dbraw/zinc/41/20/87/603412087.db2.gz CYTVRZHUDFUKID-OAHLLOKOSA-N -1 0 329.400 3.539 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(-c2cc3cccc(F)c3o2)n1 ZINC000824219443 603412754 /nfs/dbraw/zinc/41/27/54/603412754.db2.gz SYJNVYBIGIQIMJ-NSHDSACASA-N -1 0 333.319 3.977 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@H](c2nc(CCCc3ccccc3)no2)C1 ZINC000832341431 603418013 /nfs/dbraw/zinc/41/80/13/603418013.db2.gz TUDNJGQXUXUSJO-GJZGRUSLSA-N -1 0 329.400 3.539 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H](c2nc(Cc3ccc(Cl)cc3)no2)C1 ZINC000832340320 603419608 /nfs/dbraw/zinc/41/96/08/603419608.db2.gz QTWWOOFXWZZMFB-WCQYABFASA-N -1 0 335.791 3.608 20 0 EHADRM C[C@@H]1CCC[C@H](OCC(=O)N2CCCN(C(=O)[O-])c3ccccc32)C1 ZINC000739094942 603430803 /nfs/dbraw/zinc/43/08/03/603430803.db2.gz JABJRCBMFCMGBD-CABCVRRESA-N -1 0 346.427 3.503 20 0 EHADRM CO[C@H](CNC(=O)c1cccc(NC(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000737735725 603434079 /nfs/dbraw/zinc/43/40/79/603434079.db2.gz SVRDIXIILLHLTC-OAHLLOKOSA-N -1 0 348.786 3.547 20 0 EHADRM CCC(CC)c1cc(CNC(=O)c2ccc(F)c(NC(=O)[O-])c2)on1 ZINC000739255280 603434724 /nfs/dbraw/zinc/43/47/24/603434724.db2.gz YQTKUZOTAZVEIZ-UHFFFAOYSA-N -1 0 349.362 3.737 20 0 EHADRM Cc1ccc(F)cc1NC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000738607088 603461003 /nfs/dbraw/zinc/46/10/03/603461003.db2.gz WPPLHIDQJJXZKY-UHFFFAOYSA-N -1 0 331.347 3.588 20 0 EHADRM CCN(Cc1ccc2ccccc2c1)C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000827161471 603462236 /nfs/dbraw/zinc/46/22/36/603462236.db2.gz IJZUMFIVDXUBCX-ROUUACIJSA-N -1 0 340.423 3.625 20 0 EHADRM CCOc1ccc(SCC(=O)Oc2cccc(NC(=O)[O-])c2)cc1 ZINC000827444859 603475413 /nfs/dbraw/zinc/47/54/13/603475413.db2.gz PGLLSJKVVYUIGR-UHFFFAOYSA-N -1 0 347.392 3.873 20 0 EHADRM Cc1cc2cc(C(=O)N(C)C3CCC(NC(=O)[O-])CC3)oc2cc1C ZINC000830144649 603477640 /nfs/dbraw/zinc/47/76/40/603477640.db2.gz XOOIZEXLDZUYIR-UHFFFAOYSA-N -1 0 344.411 3.700 20 0 EHADRM CCCOc1ccc(NC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)cc1Cl ZINC000826939430 603499672 /nfs/dbraw/zinc/49/96/72/603499672.db2.gz KPMSTZHNZIVZQV-GHMZBOCLSA-N -1 0 340.807 3.504 20 0 EHADRM CCC(CC)(CNC(=O)c1c(Cl)cccc1Cl)NC(=O)[O-] ZINC000826547304 603500422 /nfs/dbraw/zinc/50/04/22/603500422.db2.gz CNPJDLGBYULQIS-UHFFFAOYSA-N -1 0 333.215 3.550 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)C[C@H](Cc2ccccc2)NC(=O)[O-])s1 ZINC000830250341 603510857 /nfs/dbraw/zinc/51/08/57/603510857.db2.gz AXUPEOQNYWAXQS-ZFWWWQNUSA-N -1 0 346.452 3.503 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000827589316 603526515 /nfs/dbraw/zinc/52/65/15/603526515.db2.gz GNLBIEOILMLZPE-NWDGAFQWSA-N -1 0 338.835 3.840 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N1CCC[C@H](C)[C@H]1C ZINC000829173512 603541387 /nfs/dbraw/zinc/54/13/87/603541387.db2.gz KIRHGSOTUQVOPH-VHSXEESVSA-N -1 0 340.807 3.699 20 0 EHADRM Cc1cc(F)cc(C(=O)N2CCCN(C(=O)[O-])c3ccccc32)c1 ZINC000830055704 603541666 /nfs/dbraw/zinc/54/16/66/603541666.db2.gz WMJCSUSXTSIURS-UHFFFAOYSA-N -1 0 328.343 3.669 20 0 EHADRM CC(C)(C)Sc1ccc(NC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)cc1 ZINC000823839432 603554466 /nfs/dbraw/zinc/55/44/66/603554466.db2.gz WNHTYWZHKXDKON-DGCLKSJQSA-N -1 0 336.457 3.952 20 0 EHADRM CCN(CC1CCN(C(=O)Nc2ccc(C)cc2C)CC1)C(=O)[O-] ZINC000827074831 603578185 /nfs/dbraw/zinc/57/81/85/603578185.db2.gz IEKQMPHZLSZZJG-UHFFFAOYSA-N -1 0 333.432 3.547 20 0 EHADRM CCN(CC1CCN(C(=O)Nc2cc(C)cc(C)c2)CC1)C(=O)[O-] ZINC000827074608 603578289 /nfs/dbraw/zinc/57/82/89/603578289.db2.gz AVAGLMIMNQJRLZ-UHFFFAOYSA-N -1 0 333.432 3.547 20 0 EHADRM CN(C(=O)Nc1ccc(-c2ccccc2)cc1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827806000 603578899 /nfs/dbraw/zinc/57/88/99/603578899.db2.gz FSBBEZPVFFWKAJ-QGZVFWFLSA-N -1 0 339.395 3.570 20 0 EHADRM COc1ccc(NC(=O)N2CC[C@H](CC(C)C)C2)cc1NC(=O)[O-] ZINC000829461383 603584500 /nfs/dbraw/zinc/58/45/00/603584500.db2.gz ZXCGWQYFRZZQMN-GFCCVEGCSA-N -1 0 335.404 3.685 20 0 EHADRM CC[C@@H]1C[C@H](C)CN1C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000826661122 603594000 /nfs/dbraw/zinc/59/40/00/603594000.db2.gz PKAJGSUSHMKZOU-SWLSCSKDSA-N -1 0 331.416 3.770 20 0 EHADRM Cc1ccc(NC(=O)COc2cccc(NC(=O)[O-])c2)c(Cl)c1 ZINC000830375799 603633854 /nfs/dbraw/zinc/63/38/54/603633854.db2.gz ALCUTSMTTIOHFP-UHFFFAOYSA-N -1 0 334.759 3.756 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)C3(Cc4ccccc4)CC3)ccc21 ZINC000832079838 603737981 /nfs/dbraw/zinc/73/79/81/603737981.db2.gz ODLDSHPELSYXMF-UHFFFAOYSA-N -1 0 336.391 3.689 20 0 EHADRM COc1ccccc1[C@H](NC(=O)[O-])C(=O)Nc1cccc(C)c1Cl ZINC000829611683 603770647 /nfs/dbraw/zinc/77/06/47/603770647.db2.gz SEFZHXZLKARZFY-HNNXBMFYSA-N -1 0 348.786 3.604 20 0 EHADRM O=C([O-])NC1(c2noc(C3(c4ccccc4)CCCC3)n2)CCC1 ZINC000832228479 603771035 /nfs/dbraw/zinc/77/10/35/603771035.db2.gz QFBUQVZBQIULQQ-UHFFFAOYSA-N -1 0 327.384 3.577 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)N(CCC(F)(F)F)CC2CC2)cc1 ZINC000832841618 603776706 /nfs/dbraw/zinc/77/67/06/603776706.db2.gz ZWMYWILLPVTGGR-UHFFFAOYSA-N -1 0 344.333 3.510 20 0 EHADRM Cc1ccccc1CC1CN(C(=O)Nc2ccc(NC(=O)[O-])cc2)C1 ZINC000830568131 603807160 /nfs/dbraw/zinc/80/71/60/603807160.db2.gz YJXSQEZSESSJLY-UHFFFAOYSA-N -1 0 339.395 3.791 20 0 EHADRM CC(C)[C@@H](CCN(C)C(=S)Nc1cccc(Cl)c1)NC(=O)[O-] ZINC000824100325 603830971 /nfs/dbraw/zinc/83/09/71/603830971.db2.gz UOHDJMNQRFESRN-CYBMUJFWSA-N -1 0 343.880 3.651 20 0 EHADRM C[C@@H](CC(=O)Oc1ccc(NC(=O)[O-])cc1)C(=O)c1cccc(F)c1 ZINC000824743068 603842422 /nfs/dbraw/zinc/84/24/22/603842422.db2.gz GOMRHYRTGVIYIZ-NSHDSACASA-N -1 0 345.326 3.730 20 0 EHADRM CC(C)[C@H](CCN(C)[C@H](C)c1ncc(C(C)(C)C)o1)NC(=O)[O-] ZINC000824100621 603853655 /nfs/dbraw/zinc/85/36/55/603853655.db2.gz XQHAANHCRLTBBE-OLZOCXBDSA-N -1 0 325.453 3.647 20 0 EHADRM CCOc1ccc(NCc2cccc3c2N(C(=O)[O-])CC3)cc1OC ZINC000827444660 603864042 /nfs/dbraw/zinc/86/40/42/603864042.db2.gz LXEWXLJXWOOYPS-UHFFFAOYSA-N -1 0 342.395 3.747 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)c1nc([C@@H](C)CN(C)C(=O)[O-])no1 ZINC000826631559 603880068 /nfs/dbraw/zinc/88/00/68/603880068.db2.gz KUXULPSDBKRPDB-JSGCOSHPSA-N -1 0 333.388 3.621 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000830262314 603882813 /nfs/dbraw/zinc/88/28/13/603882813.db2.gz NGCHPVQDBGJZPV-ZYHUDNBSSA-N -1 0 344.333 3.779 20 0 EHADRM C[C@H](C(=O)NC1CCC(NC(=O)[O-])CC1)c1ccc2ccccc2c1 ZINC000823685170 603890297 /nfs/dbraw/zinc/89/02/97/603890297.db2.gz JLJKQPYZTKLQCJ-TZYSRNFLSA-N -1 0 340.423 3.638 20 0 EHADRM CC(C)[C@H]1CCCN(C(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])CC1 ZINC000824156032 603896108 /nfs/dbraw/zinc/89/61/08/603896108.db2.gz CXRGKLWOVAZVKO-YNBOMUFVSA-N -1 0 336.476 3.582 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)N2CCCCC[C@H]2c2ccccc2)C1 ZINC000832246589 603951705 /nfs/dbraw/zinc/95/17/05/603951705.db2.gz JXSSBBQBXNOUGN-ZACQAIPSSA-N -1 0 330.428 3.567 20 0 EHADRM Cc1cccc(N(C)C(=O)C[C@H](Cc2ccccc2)NC(=O)[O-])c1C ZINC000830504744 603953998 /nfs/dbraw/zinc/95/39/98/603953998.db2.gz AHOGMLACVQHALI-KRWDZBQOSA-N -1 0 340.423 3.535 20 0 EHADRM C[C@H]1CCN(C(=O)CC2CCN(C(=O)[O-])CC2)[C@@H]1c1cccc(F)c1 ZINC000825937831 603961094 /nfs/dbraw/zinc/96/10/94/603961094.db2.gz KTDHSIHIDDAGFS-UGSOOPFHSA-N -1 0 348.418 3.515 20 0 EHADRM O=C([O-])N[C@H]1CC[C@@H](C(=O)Nc2ccccc2SC(F)(F)F)C1 ZINC000832296629 603964857 /nfs/dbraw/zinc/96/48/57/603964857.db2.gz LNLJWGNSMQRSQF-BDAKNGLRSA-N -1 0 348.346 3.673 20 0 EHADRM Cc1ccc(CN(C)C(=O)Nc2cccc3c2CCN3C(=O)[O-])cc1 ZINC000830302670 603974676 /nfs/dbraw/zinc/97/46/76/603974676.db2.gz MMMRHKGALDTFBH-UHFFFAOYSA-N -1 0 339.395 3.699 20 0 EHADRM COc1ccc(NC(=O)N2Cc3ccccc3[C@H]2C)cc1NC(=O)[O-] ZINC000829465789 604010189 /nfs/dbraw/zinc/01/01/89/604010189.db2.gz STOVFTRDNOGXMZ-LLVKDONJSA-N -1 0 341.367 3.894 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)N(C)C1CCN(C(=O)[O-])CC1 ZINC000830471186 604010628 /nfs/dbraw/zinc/01/06/28/604010628.db2.gz GITGOCHYWHRDQB-UHFFFAOYSA-N -1 0 333.432 3.725 20 0 EHADRM CCCC[C@H](CNC(=O)[O-])NC(=O)c1c(Cl)cccc1Cl ZINC000826800845 604015273 /nfs/dbraw/zinc/01/52/73/604015273.db2.gz MMUJGBHKYLMVNL-SECBINFHSA-N -1 0 333.215 3.550 20 0 EHADRM Cc1ccccc1-c1cnc(CN2CCC([C@@H](C)NC(=O)[O-])CC2)o1 ZINC000830546392 604054990 /nfs/dbraw/zinc/05/49/90/604054990.db2.gz SQYWYYFHXVFRTO-CQSZACIVSA-N -1 0 343.427 3.518 20 0 EHADRM CC[C@H](NC(=O)N1CCC(CN(CC)C(=O)[O-])CC1)c1ccccc1 ZINC000826599701 604077027 /nfs/dbraw/zinc/07/70/27/604077027.db2.gz FWPKBFICTCRNJN-KRWDZBQOSA-N -1 0 347.459 3.559 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N1CCC[C@@H]2CCC[C@@H]21)C(=O)[O-] ZINC000827187223 604137825 /nfs/dbraw/zinc/13/78/25/604137825.db2.gz UDYYVHJJEKDOTI-YOEHRIQHSA-N -1 0 345.443 3.983 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)N3C[C@H]4CCCC[C@@H]4C3)ccc21 ZINC000831772702 604140583 /nfs/dbraw/zinc/14/05/83/604140583.db2.gz MSDAOPQSMVNVPA-HUUCEWRRSA-N -1 0 343.427 3.771 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)Cc3c(F)cccc3F)ccc21 ZINC000831552329 604198101 /nfs/dbraw/zinc/19/81/01/604198101.db2.gz HGNWJOAKFKBXGT-UHFFFAOYSA-N -1 0 346.333 3.577 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)Oc2ccc(-c3cscn3)cc2)C1 ZINC000832332603 604212966 /nfs/dbraw/zinc/21/29/66/604212966.db2.gz NRLDMGFCFYLVOG-QWHCGFSZSA-N -1 0 346.408 3.542 20 0 EHADRM Cc1nc2ccccc2nc1CNc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000830793962 604215091 /nfs/dbraw/zinc/21/50/91/604215091.db2.gz YIHMSLRKCUHXFI-UHFFFAOYSA-N -1 0 348.406 3.981 20 0 EHADRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000825236481 604232765 /nfs/dbraw/zinc/23/27/65/604232765.db2.gz NVJWIMHLMMAGPS-VHSXEESVSA-N -1 0 345.226 3.502 20 0 EHADRM CC(C)N(C(=O)CNc1cc(NC(=O)[O-])ccc1F)C1CCCC1 ZINC000824323505 604269145 /nfs/dbraw/zinc/26/91/45/604269145.db2.gz DXYKYZNUVFNUHK-UHFFFAOYSA-N -1 0 337.395 3.507 20 0 EHADRM COc1ccc([C@H](NC(=O)c2ccc(C(=O)[O-])c(F)c2)C(C)C)cc1 ZINC000832246551 604272925 /nfs/dbraw/zinc/27/29/25/604272925.db2.gz ZCXTYTBNDXUMAF-QGZVFWFLSA-N -1 0 345.370 3.660 20 0 EHADRM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)c1nc(Cl)c(C(=O)[O-])s1 ZINC000829056249 604276389 /nfs/dbraw/zinc/27/63/89/604276389.db2.gz UNPFQICBTPAPKC-IUCAKERBSA-N -1 0 332.853 3.525 20 0 EHADRM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)CC(C)(C)NC(=O)[O-] ZINC000830085977 604278553 /nfs/dbraw/zinc/27/85/53/604278553.db2.gz VYUNLHWXJOUYOB-CQSZACIVSA-N -1 0 347.459 3.749 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000161201571 604280013 /nfs/dbraw/zinc/28/00/13/604280013.db2.gz GAXPYDWJQRQXAD-ZETCQYMHSA-N -1 0 326.805 3.536 20 0 EHADRM Cc1coc(-c2cccc(NC(=O)c3cccc(NC(=O)[O-])c3)c2)n1 ZINC000830655008 604280228 /nfs/dbraw/zinc/28/02/28/604280228.db2.gz FTCANOSPVOVSJZ-UHFFFAOYSA-N -1 0 337.335 3.992 20 0 EHADRM Cc1ccc(CN(C(=O)c2ccc(C(=O)[O-])c(F)c2)C2CC2)cc1C ZINC000832932256 604285310 /nfs/dbraw/zinc/28/53/10/604285310.db2.gz ORMPYVRXYNFXNH-UHFFFAOYSA-N -1 0 341.382 3.946 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)Cc1ccc(F)cc1Cl ZINC000833334386 604285484 /nfs/dbraw/zinc/28/54/84/604285484.db2.gz LURJEAJLADALFK-UHFFFAOYSA-N -1 0 347.773 3.699 20 0 EHADRM Cc1csc([C@@H]2CCCCN2C(=O)c2ccc(C(=O)[O-])c(F)c2)n1 ZINC000832989344 604295123 /nfs/dbraw/zinc/29/51/23/604295123.db2.gz LATSJYRVNVRRLT-AWEZNQCLSA-N -1 0 348.399 3.656 20 0 EHADRM CC(C)N(Cc1ccccc1F)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000826951380 604295915 /nfs/dbraw/zinc/29/59/15/604295915.db2.gz HPORUFAVBZFOBS-UHFFFAOYSA-N -1 0 333.334 3.714 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)N1CCc2ccccc21)c1ccccc1 ZINC000826095676 604307221 /nfs/dbraw/zinc/30/72/21/604307221.db2.gz MRBMDRAWMJOGEC-QGZVFWFLSA-N -1 0 338.407 3.611 20 0 EHADRM Cc1ccc(NC(=O)NCc2ccc([C@H](C)NC(=O)[O-])cc2)cc1 ZINC000830390545 604309465 /nfs/dbraw/zinc/30/94/65/604309465.db2.gz SATDQPAYDBXZIW-ZDUSSCGKSA-N -1 0 327.384 3.645 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC2(C(F)(F)F)CCCCC2)cc1F ZINC000833129339 604314631 /nfs/dbraw/zinc/31/46/31/604314631.db2.gz HQGFWVICXKZNQL-UHFFFAOYSA-N -1 0 333.281 3.519 20 0 EHADRM Cc1cccc(C)c1CNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000832964881 604321331 /nfs/dbraw/zinc/32/13/31/604321331.db2.gz TVCAHUHGCONSTK-UHFFFAOYSA-N -1 0 334.322 3.602 20 0 EHADRM CCc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)oc1CC ZINC000439895072 604329756 /nfs/dbraw/zinc/32/97/56/604329756.db2.gz AKPIBTWNICEAQF-OAHLLOKOSA-N -1 0 335.787 3.614 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(CC2CCC2)c2ccccc2)cc1F ZINC000833309934 604334092 /nfs/dbraw/zinc/33/40/92/604334092.db2.gz JPAJCQHPKSWJTQ-UHFFFAOYSA-N -1 0 327.355 3.971 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)c2ccc(F)c(NC(=O)[O-])c2)n1 ZINC000830493370 604367860 /nfs/dbraw/zinc/36/78/60/604367860.db2.gz PIGZTPXKFXJGCY-MRXNPFEDSA-N -1 0 343.358 3.596 20 0 EHADRM Cc1cc([C@@H](C)N2CCO[C@@H](c3ccc(F)cc3)C2)oc1C(=O)[O-] ZINC000519638730 604381798 /nfs/dbraw/zinc/38/17/98/604381798.db2.gz GAPWQOGINUELEC-MLGOLLRUSA-N -1 0 333.359 3.560 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1csc(C2CC2)n1)c1ccccc1 ZINC000826105666 604385728 /nfs/dbraw/zinc/38/57/28/604385728.db2.gz FWPQPDFFIHYDHX-AWEZNQCLSA-N -1 0 344.436 3.602 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000826106355 604390190 /nfs/dbraw/zinc/39/01/90/604390190.db2.gz YSZDVJCAMCBXIS-HNNXBMFYSA-N -1 0 331.799 3.922 20 0 EHADRM CSc1ccc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])o1 ZINC000832774465 604390396 /nfs/dbraw/zinc/39/03/96/604390396.db2.gz LQZJJURYMVYJSI-AWEZNQCLSA-N -1 0 333.409 3.583 20 0 EHADRM Cc1ccc(F)c(OCC(=O)Nc2scc(C3CC3)c2C(=O)[O-])c1 ZINC000738281007 604391144 /nfs/dbraw/zinc/39/11/44/604391144.db2.gz MDYXBTGQUKJWOK-UHFFFAOYSA-N -1 0 349.383 3.789 20 0 EHADRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)c2ccc(C(C)(C)C)s2)C1 ZINC000825244534 604421575 /nfs/dbraw/zinc/42/15/75/604421575.db2.gz JYYJKXUQNABBIM-NEPJUHHUSA-N -1 0 338.473 3.554 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)/C=C/c2ccnc(Cl)c2)c1 ZINC000833095769 604430653 /nfs/dbraw/zinc/43/06/53/604430653.db2.gz XDFIFQOYLORSSB-DAFODLJHSA-N -1 0 337.162 3.739 20 0 EHADRM CCCOc1cccc(CC(=O)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000826939139 604435401 /nfs/dbraw/zinc/43/54/01/604435401.db2.gz BGFFVNBHIUXSIP-UHFFFAOYSA-N -1 0 328.368 3.747 20 0 EHADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1ccc(C2CCCCC2)cc1 ZINC000827005347 604435471 /nfs/dbraw/zinc/43/54/71/604435471.db2.gz CUJFBTCZRALHKF-GOSISDBHSA-N -1 0 347.455 3.685 20 0 EHADRM CC(C)(CCC(=O)NC[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000262756411 604463249 /nfs/dbraw/zinc/46/32/49/604463249.db2.gz JPZSPZCDVRVBTA-GOSISDBHSA-N -1 0 339.435 3.729 20 0 EHADRM CCc1oc(C(=O)N2CCCN(C(=O)[O-])c3ccccc32)cc1C ZINC000827674981 604470896 /nfs/dbraw/zinc/47/08/96/604470896.db2.gz IGRAPGRXRJRMAO-UHFFFAOYSA-N -1 0 328.368 3.685 20 0 EHADRM CC(C)(C)[C@H](OC(=O)CCc1ccccc1C(=O)[O-])C(F)(F)F ZINC000833425715 604473896 /nfs/dbraw/zinc/47/38/96/604473896.db2.gz GEAREEQUXDQCOK-AWEZNQCLSA-N -1 0 332.318 3.838 20 0 EHADRM C[C@@H]1CSc2ccccc2N(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C1 ZINC000833631991 604485504 /nfs/dbraw/zinc/48/55/04/604485504.db2.gz IAPRSZCEWSQJQS-MJBXVCDLSA-N -1 0 333.453 3.652 20 0 EHADRM O=C([O-])c1csc(NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000833151884 604495702 /nfs/dbraw/zinc/49/57/02/604495702.db2.gz UNGBNXLNQTZUBO-DTWKUNHWSA-N -1 0 336.335 3.689 20 0 EHADRM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000828183138 604501729 /nfs/dbraw/zinc/50/17/29/604501729.db2.gz DNCWMWNZRPTPSI-CMPLNLGQSA-N -1 0 348.399 3.995 20 0 EHADRM CC(C)Oc1cccc(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])n1 ZINC000833506493 604522781 /nfs/dbraw/zinc/52/27/81/604522781.db2.gz ADMRVJBZMCZTFB-UHFFFAOYSA-N -1 0 346.408 3.758 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cn1 ZINC000827118271 604546420 /nfs/dbraw/zinc/54/64/20/604546420.db2.gz PYLCFPOFKSKUJE-UHFFFAOYSA-N -1 0 326.396 3.820 20 0 EHADRM C[C@H](C(=O)NCCc1cccc(C(=O)[O-])c1)c1ccc(Cl)s1 ZINC000191176262 604547491 /nfs/dbraw/zinc/54/74/91/604547491.db2.gz PHYVYEVSUWELJB-JTQLQIEISA-N -1 0 337.828 3.562 20 0 EHADRM Cc1c(F)cccc1NC(=O)NCc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000829871485 604553574 /nfs/dbraw/zinc/55/35/74/604553574.db2.gz APTWDRWMLWJSLX-LBPRGKRZSA-N -1 0 345.374 3.784 20 0 EHADRM CCC(CC)n1ccc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)n1 ZINC000828869924 604557472 /nfs/dbraw/zinc/55/74/72/604557472.db2.gz HIFJGPYHDFSPED-UHFFFAOYSA-N -1 0 335.791 3.848 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N3CCC[C@H]3CC(=O)[O-])o2)cc1 ZINC000262945572 604564098 /nfs/dbraw/zinc/56/40/98/604564098.db2.gz MLSNYNDKWHMIKL-HNNXBMFYSA-N -1 0 327.380 3.588 20 0 EHADRM Cc1cc(F)cc(C(=O)Nc2cccc(SCCC(=O)[O-])c2)c1 ZINC000833744947 604575560 /nfs/dbraw/zinc/57/55/60/604575560.db2.gz METCCBZJPDCRCL-UHFFFAOYSA-N -1 0 333.384 3.953 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2cnc(-c3ccco3)s2)oc1C(=O)[O-] ZINC000832876894 604582219 /nfs/dbraw/zinc/58/22/19/604582219.db2.gz YRQFUNJHMYSIHE-VIFPVBQESA-N -1 0 347.348 3.921 20 0 EHADRM C/C(=C\C(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000825717056 604585479 /nfs/dbraw/zinc/58/54/79/604585479.db2.gz SBKAIAPAHNCFAG-CFRMROPGSA-N -1 0 341.329 3.574 20 0 EHADRM CC(C)(C)c1cnc(NC(=O)NCCc2cccc(C(=O)[O-])c2)s1 ZINC000833449968 604589201 /nfs/dbraw/zinc/58/92/01/604589201.db2.gz SDJNEWOZNIOAPG-UHFFFAOYSA-N -1 0 347.440 3.503 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)/C=C/SCc2ccco2)oc1C(=O)[O-] ZINC000832878798 604601217 /nfs/dbraw/zinc/60/12/17/604601217.db2.gz YTVFRMBDHMYJIG-OKPNEXGHSA-N -1 0 336.365 3.931 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000326773605 604613985 /nfs/dbraw/zinc/61/39/85/604613985.db2.gz LOZMFFRIRJBMGI-OAHLLOKOSA-N -1 0 340.379 3.950 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000326729632 604614241 /nfs/dbraw/zinc/61/42/41/604614241.db2.gz ANZVKGWCCJKVPM-CQSZACIVSA-N -1 0 340.379 3.950 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000829532505 604620020 /nfs/dbraw/zinc/62/00/20/604620020.db2.gz OJZSFEGRGYIAAC-GFCCVEGCSA-N -1 0 340.807 3.600 20 0 EHADRM C/C(=C/c1ccccc1Cl)C(=O)N(CC(=O)[O-])c1cccc(C)n1 ZINC000833384243 604620268 /nfs/dbraw/zinc/62/02/68/604620268.db2.gz AZXSOTLPDWNHNY-BENRWUELSA-N -1 0 344.798 3.565 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C(F)(F)c2c(F)cccc2F)c(F)c1 ZINC000833782129 604638110 /nfs/dbraw/zinc/63/81/10/604638110.db2.gz APDKNIGSMYBERG-UHFFFAOYSA-N -1 0 345.223 3.533 20 0 EHADRM COc1ccc(NCc2c[nH]c(C(=O)[O-])c2)cc1Cc1ccccc1 ZINC000832413081 604647057 /nfs/dbraw/zinc/64/70/57/604647057.db2.gz APCJQRCFQZXKRT-UHFFFAOYSA-N -1 0 336.391 3.924 20 0 EHADRM O=C([O-])[C@H]1CC12CCN(Cc1cc(C(F)(F)F)ccc1F)CC2 ZINC000833771479 604650123 /nfs/dbraw/zinc/65/01/23/604650123.db2.gz GUDIKADDHZKWRT-GFCCVEGCSA-N -1 0 331.309 3.531 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000832917808 604653247 /nfs/dbraw/zinc/65/32/47/604653247.db2.gz ZPHHEIHUZUJSPZ-OAHLLOKOSA-N -1 0 346.427 3.697 20 0 EHADRM CCc1ccccc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000434790017 604660041 /nfs/dbraw/zinc/66/00/41/604660041.db2.gz PWDYEVCQMCLQSO-INIZCTEOSA-N -1 0 331.799 3.848 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)Cc2ccc(F)cc2Cl)cc1 ZINC000830507630 604670937 /nfs/dbraw/zinc/67/09/37/604670937.db2.gz MQOPTELGXSMTGL-UHFFFAOYSA-N -1 0 336.750 3.775 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000540774644 604672130 /nfs/dbraw/zinc/67/21/30/604672130.db2.gz PDGIPRHUOFRCNY-HYVNUMGLSA-N -1 0 329.440 3.793 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000833210712 604676584 /nfs/dbraw/zinc/67/65/84/604676584.db2.gz OMQOLFQDNYQUPY-FUHWJXTLSA-N -1 0 348.418 3.706 20 0 EHADRM O=C([O-])c1cc(CN2CCc3cc(Cl)cc(Cl)c3C2)c[nH]1 ZINC000833778608 604680831 /nfs/dbraw/zinc/68/08/31/604680831.db2.gz CMXYXSUCVBSQLT-UHFFFAOYSA-N -1 0 325.195 3.578 20 0 EHADRM CCc1cc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)oc1CC ZINC000192862531 604687556 /nfs/dbraw/zinc/68/75/56/604687556.db2.gz FAMRWKPBYWBHMP-OAHLLOKOSA-N -1 0 329.396 3.740 20 0 EHADRM Cc1cccc([C@@H](NC(=O)N2CCC[C@H]2CC(=O)[O-])C(C)(C)C)c1 ZINC000832964585 604688948 /nfs/dbraw/zinc/68/89/48/604688948.db2.gz JXJCZEAQIGTBST-DOTOQJQBSA-N -1 0 332.444 3.731 20 0 EHADRM CC(C)C(=O)Nc1cccc(OCc2ccc(C(=O)[O-])cc2F)c1 ZINC000833466702 604700934 /nfs/dbraw/zinc/70/09/34/604700934.db2.gz LOGQNMWLEPYXML-UHFFFAOYSA-N -1 0 331.343 3.697 20 0 EHADRM CCN(Cc1cccc(NC(=O)c2cccc(C(C)=O)c2)c1)C(=O)[O-] ZINC000827171583 604704293 /nfs/dbraw/zinc/70/42/93/604704293.db2.gz PLYPVFLEWGSZRJ-UHFFFAOYSA-N -1 0 340.379 3.641 20 0 EHADRM Cc1cc([C@H](C)Sc2ccc(S(C)(=O)=O)cc2)oc1C(=O)[O-] ZINC000832874889 604718313 /nfs/dbraw/zinc/71/83/13/604718313.db2.gz QKHWYKNFRRBZFO-JTQLQIEISA-N -1 0 340.422 3.543 20 0 EHADRM CC1(CNC(=O)Nc2cccc(NC(=O)[O-])c2)Cc2ccccc2C1 ZINC000833563882 604724579 /nfs/dbraw/zinc/72/45/79/604724579.db2.gz PIDAKAKAHFSIEB-UHFFFAOYSA-N -1 0 339.395 3.703 20 0 EHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000833386159 604725869 /nfs/dbraw/zinc/72/58/69/604725869.db2.gz XPRUOTGZOMJKMI-HBWSCVEGSA-N -1 0 335.812 3.747 20 0 EHADRM Cc1cc([C@H](C)Sc2nc(C(F)(F)F)cc(=O)[nH]2)oc1C(=O)[O-] ZINC000832874113 604745166 /nfs/dbraw/zinc/74/51/66/604745166.db2.gz MLKWSGREUINZDY-LURJTMIESA-N -1 0 348.302 3.654 20 0 EHADRM CC(C)(CNC(=O)CCc1ccccc1C(=O)[O-])c1cccc(F)c1 ZINC000262271895 604752129 /nfs/dbraw/zinc/75/21/29/604752129.db2.gz YEDVCWGSTFRJNN-UHFFFAOYSA-N -1 0 343.398 3.551 20 0 EHADRM CC(C)(C)OC(=O)c1cccc(C(=O)Nc2ccc(C(=O)[O-])s2)c1 ZINC000833444198 604754602 /nfs/dbraw/zinc/75/46/02/604754602.db2.gz RFQVJLPAALQHDW-UHFFFAOYSA-N -1 0 347.392 3.654 20 0 EHADRM C[C@H]1CCC[C@H](C)N1C(=O)CSCc1ccc(C(=O)[O-])cc1F ZINC000833608551 604755230 /nfs/dbraw/zinc/75/52/30/604755230.db2.gz BPTJLBJIPRJKSQ-RYUDHWBXSA-N -1 0 339.432 3.547 20 0 EHADRM CCc1ccc(C(C)(C)NC(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC000537475576 604775827 /nfs/dbraw/zinc/77/58/27/604775827.db2.gz OUGWKNPHRWUQSD-UHFFFAOYSA-N -1 0 325.408 3.541 20 0 EHADRM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000262193744 604788476 /nfs/dbraw/zinc/78/84/76/604788476.db2.gz RHYQCLMYNUFQDR-HXPMCKFVSA-N -1 0 341.382 3.506 20 0 EHADRM CCc1nc(COc2cc(Br)cc(C(=O)[O-])c2)cs1 ZINC000700753045 604795403 /nfs/dbraw/zinc/79/54/03/604795403.db2.gz QAWYHLRLGGFNNL-UHFFFAOYSA-N -1 0 342.214 3.745 20 0 EHADRM C[C@H](Cc1ccccc1Cl)NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000827592063 604809311 /nfs/dbraw/zinc/80/93/11/604809311.db2.gz FLMTYIFMFCLHJN-SNVBAGLBSA-N -1 0 335.762 3.538 20 0 EHADRM C[C@@H](CC(=O)Nc1cccc2[nH]ccc21)C1CCN(C(=O)[O-])CC1 ZINC000824703894 604810314 /nfs/dbraw/zinc/81/03/14/604810314.db2.gz UGCJOLZKKIBWJD-LBPRGKRZSA-N -1 0 329.400 3.523 20 0 EHADRM CC(C)(CC(=O)N1CCc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000262166572 604811219 /nfs/dbraw/zinc/81/12/19/604811219.db2.gz KZGAVCDLIPACAT-UHFFFAOYSA-N -1 0 337.419 3.637 20 0 EHADRM C[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000827581766 604815974 /nfs/dbraw/zinc/81/59/74/604815974.db2.gz RGDJDJMABPNEBJ-NSHDSACASA-N -1 0 335.450 3.954 20 0 EHADRM Cc1cccc(C2=CCN(C(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)CC2)c1 ZINC000191676538 604816153 /nfs/dbraw/zinc/81/61/53/604816153.db2.gz JPPLPWZOMIFDNO-QZTJIDSGSA-N -1 0 327.424 3.502 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCCCc2ccc(Cl)cc2)cc1F ZINC000833137521 604817739 /nfs/dbraw/zinc/81/77/39/604817739.db2.gz CRLJYRNKQJJBCC-UHFFFAOYSA-N -1 0 335.762 3.540 20 0 EHADRM CC(C)c1ncc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)s1 ZINC000190763193 604823706 /nfs/dbraw/zinc/82/37/06/604823706.db2.gz CRIRPMSXFJZOSW-CYBMUJFWSA-N -1 0 332.425 3.602 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1ccccc1CCC(F)(F)F ZINC000833496565 604837007 /nfs/dbraw/zinc/83/70/07/604837007.db2.gz BXNRPRGGHOQSJY-UHFFFAOYSA-N -1 0 331.334 3.507 20 0 EHADRM C[C@H](CSCc1ccccc1)C(=O)OCc1ccoc1C(=O)[O-] ZINC000827581580 604841914 /nfs/dbraw/zinc/84/19/14/604841914.db2.gz PATDCVDALALZFE-GFCCVEGCSA-N -1 0 334.393 3.591 20 0 EHADRM CC1(OCC(=O)O[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CCC1 ZINC000828116098 604842410 /nfs/dbraw/zinc/84/24/10/604842410.db2.gz YERWWPXAYSYPMW-CYBMUJFWSA-N -1 0 347.194 3.622 20 0 EHADRM Cc1ccc2cc(C(=O)O[C@@H](C(=O)[O-])c3ccc(F)cc3)ccc2n1 ZINC000832961946 604844686 /nfs/dbraw/zinc/84/46/86/604844686.db2.gz JLACVAVQWGXHAP-QGZVFWFLSA-N -1 0 339.322 3.665 20 0 EHADRM CCc1oc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)cc1C ZINC000191102272 604848145 /nfs/dbraw/zinc/84/81/45/604848145.db2.gz MZOZZVCAUWCYCK-UHFFFAOYSA-N -1 0 337.759 3.520 20 0 EHADRM C[C@@H](C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21)c1cccc(F)c1 ZINC000669434884 604858643 /nfs/dbraw/zinc/85/86/43/604858643.db2.gz MDXUVYHTTKGPLK-MLGOLLRUSA-N -1 0 327.355 3.534 20 0 EHADRM CC(C)(C)SCCCC(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000833446451 604860773 /nfs/dbraw/zinc/86/07/73/604860773.db2.gz BNPPICWIXVADFA-CQSZACIVSA-N -1 0 335.469 3.903 20 0 EHADRM CC(C)c1ccc([C@@H]2CCCN2C(=O)c2ccc(C(=O)[O-])cn2)cc1 ZINC000649421502 604864567 /nfs/dbraw/zinc/86/45/67/604864567.db2.gz DFMRYDBPTMNXDS-SFHVURJKSA-N -1 0 338.407 3.881 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)[C@H]2CCCc3sccc32)c2ccccc21 ZINC000325873629 604865794 /nfs/dbraw/zinc/86/57/94/604865794.db2.gz LYCOGZZXQABKDC-DOMZBBRYSA-N -1 0 341.432 3.773 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1 ZINC000833384255 604878675 /nfs/dbraw/zinc/87/86/75/604878675.db2.gz BBGJWUZWYWJENQ-CMDGGOBGSA-N -1 0 346.383 3.900 20 0 EHADRM CC(C)(CC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC000679102925 604879482 /nfs/dbraw/zinc/87/94/82/604879482.db2.gz KWUYFQSHXRXJNM-INIZCTEOSA-N -1 0 331.456 3.704 20 0 EHADRM Cc1cccc(CSCC(=O)N[C@H](CC(=O)[O-])c2ccccc2)c1 ZINC000013224741 604880340 /nfs/dbraw/zinc/88/03/40/604880340.db2.gz DTMQKFZQARJVOA-QGZVFWFLSA-N -1 0 343.448 3.560 20 0 EHADRM CCc1ccc(CCC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000013225089 604884581 /nfs/dbraw/zinc/88/45/81/604884581.db2.gz BHGRVHOVRSAVBQ-SFHVURJKSA-N -1 0 325.408 3.514 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2csc3ccccc23)C1 ZINC000322226739 604888311 /nfs/dbraw/zinc/88/83/11/604888311.db2.gz ZSWQKORMXKACFD-LBPRGKRZSA-N -1 0 331.437 3.864 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000679105396 604890542 /nfs/dbraw/zinc/89/05/42/604890542.db2.gz OBFPREAXRYCERC-INIZCTEOSA-N -1 0 331.456 3.605 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)[C@H]2CCCc3sccc32)C1 ZINC000322058150 604894107 /nfs/dbraw/zinc/89/41/07/604894107.db2.gz OOMWXNSAROKWBM-JSGCOSHPSA-N -1 0 335.469 3.517 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)[C@]2(C)CCc3ccccc3C2)C1 ZINC000833553136 604895639 /nfs/dbraw/zinc/89/56/39/604895639.db2.gz OJBZGUPDWKRBEZ-LAUBAEHRSA-N -1 0 343.467 3.531 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCc3ccc(F)cc3C2)cc1Cl ZINC000833320043 604896057 /nfs/dbraw/zinc/89/60/57/604896057.db2.gz UWILWGKQOCTDPI-UHFFFAOYSA-N -1 0 348.761 3.768 20 0 EHADRM COc1ccc2sc(C(=O)Nc3cncc(C(=O)[O-])c3)c(C)c2c1 ZINC000832510606 604899525 /nfs/dbraw/zinc/89/95/25/604899525.db2.gz YCAKBXAPWCMZOQ-UHFFFAOYSA-N -1 0 342.376 3.564 20 0 EHADRM CCCC1(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)CCC1 ZINC000829238046 604903786 /nfs/dbraw/zinc/90/37/86/604903786.db2.gz JYEHKLMBEGYGQC-UHFFFAOYSA-N -1 0 325.792 3.712 20 0 EHADRM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000827934780 604923749 /nfs/dbraw/zinc/92/37/49/604923749.db2.gz JMELVZGFAHFSDI-SECBINFHSA-N -1 0 337.297 3.635 20 0 EHADRM CC(C)CC1CCN(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)CC1 ZINC000833483119 604925644 /nfs/dbraw/zinc/92/56/44/604925644.db2.gz MJXQTHCWTPQDHH-UHFFFAOYSA-N -1 0 344.415 3.551 20 0 EHADRM Cc1ccc(C)c([C@@H](C)N(C)C(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000832926487 604929843 /nfs/dbraw/zinc/92/98/43/604929843.db2.gz XMTSHBNTICXPPA-CYBMUJFWSA-N -1 0 329.371 3.974 20 0 EHADRM Cc1ccc(CCC(=O)N(CCCC(=O)[O-])Cc2ccccc2)cc1 ZINC000237675835 604934961 /nfs/dbraw/zinc/93/49/61/604934961.db2.gz CSKCICDEWGGSGR-UHFFFAOYSA-N -1 0 339.435 3.821 20 0 EHADRM C[C@H](COC(=O)c1ccccc1S[C@@H](C)C(=O)[O-])C(F)(F)F ZINC000833545080 604937730 /nfs/dbraw/zinc/93/77/30/604937730.db2.gz NMDGLFHNGXEAQZ-BDAKNGLRSA-N -1 0 336.331 3.607 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2Cc2ccc(F)cc2)cc1F ZINC000833309258 604946135 /nfs/dbraw/zinc/94/61/35/604946135.db2.gz BWYWWUMIKNNHRJ-HNNXBMFYSA-N -1 0 345.345 3.510 20 0 EHADRM CC(C)Cc1ccc([C@@H](C)C(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000833493023 604951550 /nfs/dbraw/zinc/95/15/50/604951550.db2.gz ILBWBYXYDUCKBN-CYBMUJFWSA-N -1 0 329.396 3.596 20 0 EHADRM C[C@@H](OC(=O)CCCc1cc(F)ccc1F)c1ccc(C(=O)[O-])o1 ZINC000833527478 604955924 /nfs/dbraw/zinc/95/59/24/604955924.db2.gz DMSWGEAPEXBLPJ-SNVBAGLBSA-N -1 0 338.306 3.883 20 0 EHADRM C[C@]1(NC(=O)Cc2csc3ccccc23)CCCC[C@H]1C(=O)[O-] ZINC000262834265 604957580 /nfs/dbraw/zinc/95/75/80/604957580.db2.gz RIOJOGDSKDHJRM-KSSFIOAISA-N -1 0 331.437 3.594 20 0 EHADRM C[C@@]1(NC(=O)c2cccc(-c3cscn3)c2)CCCC[C@H]1C(=O)[O-] ZINC000833573499 604958892 /nfs/dbraw/zinc/95/88/92/604958892.db2.gz SEUNZKHTBMOIOU-KBXCAEBGSA-N -1 0 344.436 3.573 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)C(F)=C2CCCC2)cc1Cl ZINC000833256742 604959201 /nfs/dbraw/zinc/95/92/01/604959201.db2.gz OYKIVNZQAFFOFB-UHFFFAOYSA-N -1 0 327.739 3.540 20 0 EHADRM C[C@]1(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)CCCC[C@H]1C(=O)[O-] ZINC000262758788 604960218 /nfs/dbraw/zinc/96/02/18/604960218.db2.gz KDXSWVXLLXVDEG-YXMPFFBPSA-N -1 0 335.366 3.505 20 0 EHADRM CCC[C@H]1[C@H](C)CCCN1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000829245239 604977942 /nfs/dbraw/zinc/97/79/42/604977942.db2.gz GYJUPCPMIOLGRY-YPMHNXCESA-N -1 0 339.461 3.593 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)NCCCCC2CCCC2)C1 ZINC000833418218 604986496 /nfs/dbraw/zinc/98/64/96/604986496.db2.gz ZVICKRDVFSYHJP-MRXNPFEDSA-N -1 0 338.492 3.879 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000777401058 604999205 /nfs/dbraw/zinc/99/92/05/604999205.db2.gz REJHJHMFDIRMCK-BMOGTNHUSA-N -1 0 333.403 3.578 20 0 EHADRM CCc1nc(NC(=O)c2occc2-c2ccccc2)sc1C(=O)[O-] ZINC000833676081 605007629 /nfs/dbraw/zinc/00/76/29/605007629.db2.gz ZDTZYDSNRMAEKN-UHFFFAOYSA-N -1 0 342.376 3.916 20 0 EHADRM CCC[C@H](NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1)C(=O)[O-] ZINC000347253399 605023362 /nfs/dbraw/zinc/02/33/62/605023362.db2.gz BECPDENQRUZWKT-AWEZNQCLSA-N -1 0 348.786 3.510 20 0 EHADRM CCC[C@H](C(=O)Nc1nc2nc(C)cc(C(=O)[O-])c2s1)C(C)C ZINC000833648666 605044835 /nfs/dbraw/zinc/04/48/35/605044835.db2.gz WHHVAAFNDDFJLT-JTQLQIEISA-N -1 0 335.429 3.709 20 0 EHADRM C[C@H](C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21)c1c(F)cccc1F ZINC000669433975 605047114 /nfs/dbraw/zinc/04/71/14/605047114.db2.gz CLKFHHONPTZZOQ-WCQYABFASA-N -1 0 345.345 3.673 20 0 EHADRM CC(C)(C(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccc(-c2ccccc2)cc1 ZINC000668280066 605054262 /nfs/dbraw/zinc/05/42/62/605054262.db2.gz OQRKAEBNXUDTKE-QGZVFWFLSA-N -1 0 337.419 3.564 20 0 EHADRM CC(C)OC(=O)CS[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833503201 605072943 /nfs/dbraw/zinc/07/29/43/605072943.db2.gz YTVVPJYGUJVCJR-GFCCVEGCSA-N -1 0 337.224 3.804 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CCO1 ZINC000833470073 605076956 /nfs/dbraw/zinc/07/69/56/605076956.db2.gz GRJNRDBYTVNGJI-YOEHRIQHSA-N -1 0 347.455 3.829 20 0 EHADRM C[C@@H](c1nc2ccccc2s1)N(C)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000194437393 605081964 /nfs/dbraw/zinc/08/19/64/605081964.db2.gz IESBWIQQJKPBLR-HIFPTAJRSA-N -1 0 346.452 3.707 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)C2CCC(C(=O)[O-])CC2)C1 ZINC000192967983 605087538 /nfs/dbraw/zinc/08/75/38/605087538.db2.gz MYZOSIBRLRPZGN-QROZZAMVSA-N -1 0 333.403 3.626 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)NCc2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC000833602258 605090357 /nfs/dbraw/zinc/09/03/57/605090357.db2.gz AZXHINNGVOSZAW-ACJLOTCBSA-N -1 0 338.407 3.823 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CN(C(=O)CC(C)(C)CC(=O)[O-])C2CC2)o1 ZINC000190615029 605099719 /nfs/dbraw/zinc/09/97/19/605099719.db2.gz OZWWKTURCPAHQL-SWLSCSKDSA-N -1 0 333.428 3.785 20 0 EHADRM CC(C)COc1ccc(NC(=O)c2cncc(C(=O)[O-])c2)cc1Cl ZINC000833490827 605101079 /nfs/dbraw/zinc/10/10/79/605101079.db2.gz XCYPIUNLMIFSQU-UHFFFAOYSA-N -1 0 348.786 3.720 20 0 EHADRM CC(C)C[C@H](NC(=O)CC(C)(C)CC(=O)[O-])c1nc2ccccc2[nH]1 ZINC000833476539 605102241 /nfs/dbraw/zinc/10/22/41/605102241.db2.gz CMIASDKURBEQBG-HNNXBMFYSA-N -1 0 345.443 3.657 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccccc1OCc1cscn1 ZINC000683303074 605105275 /nfs/dbraw/zinc/10/52/75/605105275.db2.gz ZUGJYAHSZGRBHP-UHFFFAOYSA-N -1 0 348.424 3.552 20 0 EHADRM Cc1cc(OC(=O)C2CCC(C(=O)[O-])CC2)ccc1Br ZINC000833746593 605120817 /nfs/dbraw/zinc/12/08/17/605120817.db2.gz DFAGKWPKCIVGPM-UHFFFAOYSA-N -1 0 341.201 3.554 20 0 EHADRM CC[C@H](NC(=O)[O-])c1nc(-c2cccnc2Oc2ccccc2)no1 ZINC000827552086 605121093 /nfs/dbraw/zinc/12/10/93/605121093.db2.gz ULZPYUMGTLWTCA-ZDUSSCGKSA-N -1 0 340.339 3.643 20 0 EHADRM CC1(C)CCCC[C@@H]1CC(=O)N(c1ncc(C(=O)[O-])s1)C1CC1 ZINC000833560167 605123611 /nfs/dbraw/zinc/12/36/11/605123611.db2.gz BZKKCKRAFQFMHW-LLVKDONJSA-N -1 0 336.457 3.943 20 0 EHADRM C[C@H]1CC[C@H](NC(=O)N2CCC(CCC(=O)[O-])CC2)c2ccccc21 ZINC000659400161 605126188 /nfs/dbraw/zinc/12/61/88/605126188.db2.gz OZKOWMIRLSZPGF-KSSFIOAISA-N -1 0 344.455 3.911 20 0 EHADRM C[C@@H]1CC[C@H](C)N1C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000706277788 605129688 /nfs/dbraw/zinc/12/96/88/605129688.db2.gz BIPSTWVOIDNAEH-DTORHVGOSA-N -1 0 341.205 3.552 20 0 EHADRM CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2ccc(C)cc2C(=O)[O-])C1 ZINC000833668560 605134508 /nfs/dbraw/zinc/13/45/08/605134508.db2.gz SRBBYSVIZYSHMQ-CHWSQXEVSA-N -1 0 336.457 3.831 20 0 EHADRM CC(=O)c1cc(Cl)ccc1OCCOc1ccccc1C(=O)[O-] ZINC000833401639 605147289 /nfs/dbraw/zinc/14/72/89/605147289.db2.gz ZMGLHERVAZKKGV-UHFFFAOYSA-N -1 0 334.755 3.699 20 0 EHADRM Cc1nc(C2CCCCC2)sc1C(=O)N[C@@H](C(=O)[O-])C(C)(C)C ZINC000833755409 605151918 /nfs/dbraw/zinc/15/19/18/605151918.db2.gz LWZKPINJUAJTCI-ZDUSSCGKSA-N -1 0 338.473 3.728 20 0 EHADRM C[C@@H]1CCC[C@H](OCCCCCC(=O)NC2(C(=O)[O-])CCCC2)C1 ZINC000833611189 605152264 /nfs/dbraw/zinc/15/22/64/605152264.db2.gz WVCCFYAJYZBNFT-CVEARBPZSA-N -1 0 339.476 3.656 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C(=O)[O-])cc2)c1C(C)C ZINC000431203923 605153796 /nfs/dbraw/zinc/15/37/96/605153796.db2.gz RGOVDERQDOHXEF-UHFFFAOYSA-N -1 0 328.368 3.600 20 0 EHADRM CC(C)(C)C[C@@H](Sc1nnc(Cc2cccc(F)c2)o1)C(=O)[O-] ZINC000833428857 605154394 /nfs/dbraw/zinc/15/43/94/605154394.db2.gz AMIRCAYPRJJCBV-GFCCVEGCSA-N -1 0 338.404 3.781 20 0 EHADRM CC(C)(C)n1ncc2c1ncnc2Oc1ccc(C(=O)[O-])cc1Cl ZINC000833452187 605155932 /nfs/dbraw/zinc/15/59/32/605155932.db2.gz PORAGFFLVMYNKF-UHFFFAOYSA-N -1 0 346.774 3.725 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)OCc2ccc(C(=O)[O-])cc2)c1C(C)C ZINC000833400603 605159368 /nfs/dbraw/zinc/15/93/68/605159368.db2.gz KOQSNHVVUHEINX-UHFFFAOYSA-N -1 0 343.379 3.704 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)OCc2cc(C)c(C(=O)[O-])o2)c1C(C)C ZINC000833400399 605159403 /nfs/dbraw/zinc/15/94/03/605159403.db2.gz GZIYEYWMAQJXFB-UHFFFAOYSA-N -1 0 347.367 3.606 20 0 EHADRM Cc1c(NC(=O)c2sccc2OC(F)F)scc1C(=O)[O-] ZINC000833741357 605159942 /nfs/dbraw/zinc/15/99/42/605159942.db2.gz JFCGXOICXBCMAG-UHFFFAOYSA-N -1 0 333.337 3.670 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)N[C@@H]1C[C@H]2CCC(C)(C)c3cccc1c32 ZINC000833468003 605160818 /nfs/dbraw/zinc/16/08/18/605160818.db2.gz KTSOJBVMXVNMQQ-VMGRFDJRSA-N -1 0 344.455 3.695 20 0 EHADRM C[C@H](NC(=O)Nc1cc(C(=O)[O-])cs1)c1cccc(F)c1F ZINC000833520179 605161183 /nfs/dbraw/zinc/16/11/83/605161183.db2.gz AUTMPACFUVAYKY-ZETCQYMHSA-N -1 0 326.324 3.607 20 0 EHADRM C[C@@H]1CCC[C@@H](OCCCCCC(=O)Nc2cc(C(=O)[O-])ccn2)C1 ZINC000833608839 605161674 /nfs/dbraw/zinc/16/16/74/605161674.db2.gz QAJSXYXQHGMBRV-GDBMZVCRSA-N -1 0 348.443 3.874 20 0 EHADRM CC(C)(C(=O)Nc1cncc(C(=O)[O-])c1)c1ccc2ccccc2c1 ZINC000833411522 605170219 /nfs/dbraw/zinc/17/02/19/605170219.db2.gz HWOUSDPDNSZRNJ-UHFFFAOYSA-N -1 0 334.375 3.849 20 0 EHADRM C[C@@H]1CCC[C@H](OCCCCCC(=O)N2CCC[C@@H]2CC(=O)[O-])C1 ZINC000833606958 605173435 /nfs/dbraw/zinc/17/34/35/605173435.db2.gz BBYOGMJNZYTJQQ-ZACQAIPSSA-N -1 0 339.476 3.608 20 0 EHADRM CC(C)(CCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC000431216027 605180688 /nfs/dbraw/zinc/18/06/88/605180688.db2.gz KRYJBCAZCWPNRP-SFHVURJKSA-N -1 0 339.435 3.557 20 0 EHADRM CC[C@H](NC(=O)Nc1cncc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000833642830 605180678 /nfs/dbraw/zinc/18/06/78/605180678.db2.gz IHURZWKWYIBLQJ-AWEZNQCLSA-N -1 0 333.775 3.706 20 0 EHADRM CC(C)(CCC(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000262771580 605182483 /nfs/dbraw/zinc/18/24/83/605182483.db2.gz LKZROBPPGKDEFY-UHFFFAOYSA-N -1 0 341.407 3.847 20 0 EHADRM CCC(CC)CC(=O)OCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833642340 605191809 /nfs/dbraw/zinc/19/18/09/605191809.db2.gz LUEUXFAIOOGZSX-UHFFFAOYSA-N -1 0 331.368 3.909 20 0 EHADRM CC[C@@H](C)Oc1cc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)ccn1 ZINC000683313861 605203146 /nfs/dbraw/zinc/20/31/46/605203146.db2.gz VRORWYWNJDYJFN-SNVBAGLBSA-N -1 0 348.786 3.863 20 0 EHADRM CC[C@@H](C)Oc1cc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)ccn1 ZINC000191020387 605211716 /nfs/dbraw/zinc/21/17/16/605211716.db2.gz GKMWIGBAJMRTOS-CYBMUJFWSA-N -1 0 342.395 3.528 20 0 EHADRM C[C@@H](c1ccccc1)N(C)C(=O)CNc1cc(C(=O)[O-])ccc1Cl ZINC000833550008 605217738 /nfs/dbraw/zinc/21/77/38/605217738.db2.gz UFDCHHPSCGBHOW-LBPRGKRZSA-N -1 0 346.814 3.670 20 0 EHADRM CC(C)Cn1ncc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)c1C(C)C ZINC000833493286 605218005 /nfs/dbraw/zinc/21/80/05/605218005.db2.gz HYKSHOZMQSSAPK-UHFFFAOYSA-N -1 0 347.390 3.752 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000833642051 605230406 /nfs/dbraw/zinc/23/04/06/605230406.db2.gz WUPBGEFGKCCUJN-UHFFFAOYSA-N -1 0 333.363 3.642 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)c1cccc([C@@H]2CCCOC2)c1)C(=O)[O-] ZINC000833429380 605231100 /nfs/dbraw/zinc/23/11/00/605231100.db2.gz KGYBYWIBBKXCLV-CVEARBPZSA-N -1 0 334.412 3.627 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)c1cccc([C@@H]2CCCOC2)c1)C(=O)[O-] ZINC000833429383 605231108 /nfs/dbraw/zinc/23/11/08/605231108.db2.gz KGYBYWIBBKXCLV-HZPDHXFCSA-N -1 0 334.412 3.627 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)c1cc(Oc2ccccc2)ccn1)C(=O)[O-] ZINC000833426708 605238924 /nfs/dbraw/zinc/23/89/24/605238924.db2.gz IJQNKFGOWJSZRR-MRXNPFEDSA-N -1 0 343.379 3.920 20 0 EHADRM CCC(CC)n1ccc(C(=O)Nc2cc(OC)ccc2NC(=O)[O-])n1 ZINC000826575626 605240540 /nfs/dbraw/zinc/24/05/40/605240540.db2.gz KGAYPCQGIGXURL-UHFFFAOYSA-N -1 0 346.387 3.595 20 0 EHADRM O=C([O-])N1CCC(CNc2cccc(C3SCCS3)c2)CC1 ZINC000831888916 605241607 /nfs/dbraw/zinc/24/16/07/605241607.db2.gz MWZWGPOPZZPHDZ-UHFFFAOYSA-N -1 0 338.498 3.967 20 0 EHADRM C[C@@H]1CN(C(=O)NCCc2ccc(NC(=O)[O-])cc2)[C@@H]2CCCC[C@H]21 ZINC000833620820 605242900 /nfs/dbraw/zinc/24/29/00/605242900.db2.gz GORHYDOAIHTGIK-XOKHGSTOSA-N -1 0 345.443 3.539 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000192955696 605247523 /nfs/dbraw/zinc/24/75/23/605247523.db2.gz KUAUVSHRPBJFSC-YJBOKZPZSA-N -1 0 337.419 3.860 20 0 EHADRM C[C@H](C(=O)Nc1ccc(C(=O)[O-])nc1)c1c(Cl)cccc1Cl ZINC000833408076 605253671 /nfs/dbraw/zinc/25/36/71/605253671.db2.gz GEHXRHHATKYHCZ-QMMMGPOBSA-N -1 0 339.178 3.829 20 0 EHADRM CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)CC(C)(C)CC(=O)[O-] ZINC000833693128 605257690 /nfs/dbraw/zinc/25/76/90/605257690.db2.gz LUAYBQSFZJWDSQ-VQIMIIECSA-N -1 0 347.455 3.504 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2(c3cccs3)CCCCC2)cn1 ZINC000833782809 605257728 /nfs/dbraw/zinc/25/77/28/605257728.db2.gz PJSSIAUIJNVSLV-UHFFFAOYSA-N -1 0 330.409 3.682 20 0 EHADRM C[C@H]1CCCC[C@@H]1NC(=S)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833613864 605260142 /nfs/dbraw/zinc/26/01/42/605260142.db2.gz VYPNDDVIUGAGHH-CABZTGNLSA-N -1 0 325.409 3.781 20 0 EHADRM COc1ccc(NC(=O)c2ccc(F)c(Cl)c2)cc1NC(=O)[O-] ZINC000829474786 605261658 /nfs/dbraw/zinc/26/16/58/605261658.db2.gz PUGPTBNUJKRBKR-UHFFFAOYSA-N -1 0 338.722 3.830 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCC(=Cc2ccccc2F)CC1 ZINC000833451216 605264183 /nfs/dbraw/zinc/26/41/83/605264183.db2.gz KEARXZYBZPGLEH-UHFFFAOYSA-N -1 0 333.403 3.723 20 0 EHADRM CC(C)C[C@@H](C)OCCC(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833474898 605275046 /nfs/dbraw/zinc/27/50/46/605275046.db2.gz AQIHHBBNIJDZGC-LLVKDONJSA-N -1 0 326.368 3.695 20 0 EHADRM CCOc1ccc(N[C@@H](C)CC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000833662405 605300870 /nfs/dbraw/zinc/30/08/70/605300870.db2.gz FVNAWWIEPGLXAF-ZDUSSCGKSA-N -1 0 342.395 3.613 20 0 EHADRM CC(C)CCO[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000431873674 605302761 /nfs/dbraw/zinc/30/27/61/605302761.db2.gz AGJJURVANNXEKP-KBXCAEBGSA-N -1 0 343.423 3.533 20 0 EHADRM COCCC[C@@H](C)C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000833725469 605314517 /nfs/dbraw/zinc/31/45/17/605314517.db2.gz ZDSYCUGDXRBVPQ-NOZJJQNGSA-N -1 0 349.210 3.725 20 0 EHADRM CCC[C@H](NC(=O)[O-])C(=O)Nc1ccc(Sc2ccncc2)cc1 ZINC000826757686 605338748 /nfs/dbraw/zinc/33/87/48/605338748.db2.gz HPJIHHCFGDGREO-HNNXBMFYSA-N -1 0 345.424 3.608 20 0 EHADRM Cc1nnc(SC2CCN(C(=O)[O-])CC2)n1[C@@H]1CCC[C@@H](C)C1 ZINC000833928870 605388512 /nfs/dbraw/zinc/38/85/12/605388512.db2.gz VCEWFPRDABQLRZ-DGCLKSJQSA-N -1 0 338.477 3.572 20 0 EHADRM CCC(CC)[C@@H]1C[C@H](NC(=O)Nc2cccc(NC(=O)[O-])c2)CCO1 ZINC000833642775 605395650 /nfs/dbraw/zinc/39/56/50/605395650.db2.gz SRUNXNWDDKYLRU-CVEARBPZSA-N -1 0 349.431 3.882 20 0 EHADRM CCC(CC)[C@H]1C[C@H](NC(=O)Nc2cccc(C(=O)[O-])c2C)CCO1 ZINC000833643007 605396108 /nfs/dbraw/zinc/39/61/08/605396108.db2.gz WMMLZRQGZJAGHF-RHSMWYFYSA-N -1 0 348.443 3.799 20 0 EHADRM CCc1cc(NC(=O)N[C@H](CC(=O)[O-])c2cccs2)ccc1C ZINC000833671820 605403231 /nfs/dbraw/zinc/40/32/31/605403231.db2.gz QFVNWYIBALSLBZ-CQSZACIVSA-N -1 0 332.425 3.956 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000833481095 605411335 /nfs/dbraw/zinc/41/13/35/605411335.db2.gz UBHOPCHHACWFGB-SJORKVTESA-N -1 0 348.418 3.560 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000833384276 605417592 /nfs/dbraw/zinc/41/75/92/605417592.db2.gz PDXYFIFJZFCXNY-LCYFTJDESA-N -1 0 327.380 3.657 20 0 EHADRM C[C@@H](CSCc1ccccc1)c1nc([C@H](C)CN(C)C(=O)[O-])no1 ZINC000824902479 605475272 /nfs/dbraw/zinc/47/52/72/605475272.db2.gz MNOASPKFHWPWJT-OLZOCXBDSA-N -1 0 349.456 3.820 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc([C@H](C)CSCc2ccccc2)n1 ZINC000824902478 605475446 /nfs/dbraw/zinc/47/54/46/605475446.db2.gz MNOASPKFHWPWJT-CHWSQXEVSA-N -1 0 349.456 3.820 20 0 EHADRM Cc1ccc(C(=O)O[C@H](C(=O)[O-])c2c(F)cccc2Cl)s1 ZINC000833748125 605489551 /nfs/dbraw/zinc/48/95/51/605489551.db2.gz SPGWDLRNELEWCJ-LBPRGKRZSA-N -1 0 328.748 3.832 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)Nc1ccc(OC)cc1C(=O)[O-] ZINC000833660392 605504882 /nfs/dbraw/zinc/50/48/82/605504882.db2.gz KLPJBPQSFCNAFT-UHFFFAOYSA-N -1 0 349.770 3.698 20 0 EHADRM CC(C)c1ncc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])s1 ZINC000824496635 605529419 /nfs/dbraw/zinc/52/94/19/605529419.db2.gz ZAMXMHABRYGBOZ-UHFFFAOYSA-N -1 0 345.424 3.949 20 0 EHADRM CCCN(C(=O)Nc1ccc2c(c1)CCC2)C1CCN(C(=O)[O-])CC1 ZINC000826880144 605539330 /nfs/dbraw/zinc/53/93/30/605539330.db2.gz UZEZIUYRCYEALM-UHFFFAOYSA-N -1 0 345.443 3.562 20 0 EHADRM O=C([O-])NC1CCN(C(=O)Nc2cc(C(F)F)ccc2Cl)CC1 ZINC000832375726 605557405 /nfs/dbraw/zinc/55/74/05/605557405.db2.gz JYZYVPNVMYECOJ-UHFFFAOYSA-N -1 0 347.749 3.542 20 0 EHADRM COc1ccc([C@H](C)NC(=O)c2ccc(NC(=O)[O-])c(C)c2)cc1F ZINC000829301677 605583132 /nfs/dbraw/zinc/58/31/32/605583132.db2.gz CRBPVDRENUJBNN-NSHDSACASA-N -1 0 346.358 3.724 20 0 EHADRM CCOc1ccc([C@@H](C)NC(=O)c2ccc(NC(=O)[O-])c(C)c2)cc1 ZINC000827427247 605587769 /nfs/dbraw/zinc/58/77/69/605587769.db2.gz GYRZYVHMPIDSSU-CYBMUJFWSA-N -1 0 342.395 3.975 20 0 EHADRM COc1cccc([C@@H](C)NC(=O)c2ccc(NC(=O)[O-])c(C)c2)c1 ZINC000829543819 605596082 /nfs/dbraw/zinc/59/60/82/605596082.db2.gz PTKPUFBSRKGQLO-GFCCVEGCSA-N -1 0 328.368 3.585 20 0 EHADRM COc1ccc(NC(=O)c2ccc(C(C)C)nc2)cc1NC(=O)[O-] ZINC000829474946 605612085 /nfs/dbraw/zinc/61/20/85/605612085.db2.gz WFZMRLZWYRBUMA-UHFFFAOYSA-N -1 0 329.356 3.556 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2ccc([C@H]3CCCOC3)cc2)c1 ZINC000668283584 605625541 /nfs/dbraw/zinc/62/55/41/605625541.db2.gz SYVUAVWXBVCJOY-ZDUSSCGKSA-N -1 0 331.393 3.593 20 0 EHADRM COc1ccc(F)cc1[C@H](C)NC(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000829413837 605625659 /nfs/dbraw/zinc/62/56/59/605625659.db2.gz DSNGXSBVKYIWLO-NSHDSACASA-N -1 0 346.358 3.724 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)c1cccc([C@H]2CCOC2)c1 ZINC000834275632 605644987 /nfs/dbraw/zinc/64/49/87/605644987.db2.gz LVWOEZCRDWYNAZ-AWEZNQCLSA-N -1 0 326.352 3.533 20 0 EHADRM O=C([O-])NC1CCC(Nc2cc(F)c(N3CCCC3)c(F)c2)CC1 ZINC000834165535 605695484 /nfs/dbraw/zinc/69/54/84/605695484.db2.gz ANQYKEZTJQHCGA-UHFFFAOYSA-N -1 0 339.386 3.556 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N1CC[C@H](c2ccccc2F)C1 ZINC000740039933 605695963 /nfs/dbraw/zinc/69/59/63/605695963.db2.gz AFEBUJHJQDJBQY-LBPRGKRZSA-N -1 0 328.343 3.545 20 0 EHADRM Cc1csc(N(C(=O)c2ccc(NC(=O)[O-])c(C)c2)C2CC2)n1 ZINC000830667721 605698024 /nfs/dbraw/zinc/69/80/24/605698024.db2.gz XZCFOYQKXUVVFJ-UHFFFAOYSA-N -1 0 331.397 3.659 20 0 EHADRM Cc1cc(C(=O)N2C[C@H](C)Oc3cc(F)ccc32)ccc1NC(=O)[O-] ZINC000829918974 605701955 /nfs/dbraw/zinc/70/19/55/605701955.db2.gz DDZPJQURDDJANR-NSHDSACASA-N -1 0 344.342 3.652 20 0 EHADRM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(NC(=O)[O-])c(C)c2)C1 ZINC000827495264 605703259 /nfs/dbraw/zinc/70/32/59/605703259.db2.gz IFYHRRZAVDJDCF-ZIAGYGMSSA-N -1 0 336.457 3.831 20 0 EHADRM Cc1nc2cc(NC(=O)c3ccc(NC(=O)[O-])c(C)c3)ccc2n1C ZINC000829966014 605704173 /nfs/dbraw/zinc/70/41/73/605704173.db2.gz OWNUUEQVNAQPNV-UHFFFAOYSA-N -1 0 338.367 3.532 20 0 EHADRM Cc1cc(C(=O)N2CCS[C@@H]3CCCC[C@H]32)ccc1NC(=O)[O-] ZINC000829933636 605709791 /nfs/dbraw/zinc/70/97/91/605709791.db2.gz ACOFPEVECSMKLG-HUUCEWRRSA-N -1 0 334.441 3.585 20 0 EHADRM Cc1ccc(C(F)(F)c2nc(C3(NC(=O)[O-])CCCC3)no2)cc1 ZINC000833905219 605738068 /nfs/dbraw/zinc/73/80/68/605738068.db2.gz PUUWRHCVZZJAIH-UHFFFAOYSA-N -1 0 337.326 3.555 20 0 EHADRM C[C@@](O)(CC(=O)Nc1cc2ccccc2cc1C(=O)[O-])c1ccccc1 ZINC000833523916 605755311 /nfs/dbraw/zinc/75/53/11/605755311.db2.gz AHJICWQEVNCXIZ-OAQYLSRUSA-N -1 0 349.386 3.774 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)Nc2ccc(OCC3CC3)cc2)c1 ZINC000834266173 605767734 /nfs/dbraw/zinc/76/77/34/605767734.db2.gz KQTIJHCXKNFXPG-UHFFFAOYSA-N -1 0 340.379 3.747 20 0 EHADRM COc1c(F)cc(NCc2cc(C(=O)[O-])ccc2Cl)cc1F ZINC000833726797 605784415 /nfs/dbraw/zinc/78/44/15/605784415.db2.gz GUYGLIZAAJPVHX-UHFFFAOYSA-N -1 0 327.714 3.937 20 0 EHADRM Cc1cc(C(=O)NCCc2cc3ccccc3[nH]2)ccc1NC(=O)[O-] ZINC000829950009 605811120 /nfs/dbraw/zinc/81/11/20/605811120.db2.gz GVKMAWAZLVYCRT-UHFFFAOYSA-N -1 0 337.379 3.539 20 0 EHADRM CCCN(C(=O)c1ccc2ccccc2c1)C1CCN(C(=O)[O-])CC1 ZINC000826883851 605825558 /nfs/dbraw/zinc/82/55/58/605825558.db2.gz AUDUOWKJCIHWCF-UHFFFAOYSA-N -1 0 340.423 3.834 20 0 EHADRM C/C(=C\CN[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)C(=O)[O-] ZINC000833381868 605852943 /nfs/dbraw/zinc/85/29/43/605852943.db2.gz FANOETSNAGWBFG-LXSSAFMLSA-N -1 0 339.260 3.512 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)CCc1ccc(F)cc1F ZINC000834000311 605879920 /nfs/dbraw/zinc/87/99/20/605879920.db2.gz VTBNPJBEZLWTSG-UHFFFAOYSA-N -1 0 346.333 3.577 20 0 EHADRM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc2ccsc21 ZINC000834095530 605973521 /nfs/dbraw/zinc/97/35/21/605973521.db2.gz CDKVFZSGTPFNNA-OLZOCXBDSA-N -1 0 345.424 3.650 20 0 EHADRM CCCN(C(=O)c1cc(Cl)ccc1C)C1CCN(C(=O)[O-])CC1 ZINC000833853714 605986083 /nfs/dbraw/zinc/98/60/83/605986083.db2.gz LZZSKTZRBPYCNR-UHFFFAOYSA-N -1 0 338.835 3.643 20 0 EHADRM Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000833930720 605995199 /nfs/dbraw/zinc/99/51/99/605995199.db2.gz USEUCUJNSIWPRC-MNOVXSKESA-N -1 0 345.399 3.752 20 0 EHADRM COc1ccc(NC(=O)CSCc2cccc(NC(=O)[O-])c2)cc1 ZINC000833889098 606009880 /nfs/dbraw/zinc/00/98/80/606009880.db2.gz KRQSUHWBJAUHCN-UHFFFAOYSA-N -1 0 346.408 3.657 20 0 EHADRM O=C([O-])Nc1cnc(C(=O)Oc2ccc3oc4ccccc4c3c2)cn1 ZINC000834279297 606013382 /nfs/dbraw/zinc/01/33/82/606013382.db2.gz GFAQOTPPXPJVDQ-UHFFFAOYSA-N -1 0 349.302 3.685 20 0 EHADRM CC(C)CCc1ccccc1NC(=O)[C@H](CC(F)F)NC(=O)[O-] ZINC000833795290 606025920 /nfs/dbraw/zinc/02/59/20/606025920.db2.gz VJRDBEHUMOCUEX-ZDUSSCGKSA-N -1 0 328.359 3.505 20 0 EHADRM O=C([O-])N1CCC[C@@H](Nc2cccc(COCc3ccco3)c2)CC1 ZINC000834109296 606038174 /nfs/dbraw/zinc/03/81/74/606038174.db2.gz YEPAZVNOGFLJAR-MRXNPFEDSA-N -1 0 344.411 3.941 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000834272995 606042530 /nfs/dbraw/zinc/04/25/30/606042530.db2.gz IZDQCSJYYGQMEM-UHFFFAOYSA-N -1 0 338.285 3.977 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N1CCc2c1cccc2Cl ZINC000834272712 606069885 /nfs/dbraw/zinc/06/98/85/606069885.db2.gz QMKMOJFSEMFUKH-UHFFFAOYSA-N -1 0 330.771 3.562 20 0 EHADRM C/C=C\c1ccc(Oc2snc(Cl)c2-c2nnn[n-]2)c(OC)c1 ZINC000825029457 608170421 /nfs/dbraw/zinc/17/04/21/608170421.db2.gz SUPVWLXTNVKVCB-ARJAWSKDSA-N -1 0 349.803 3.811 20 0 EHADRM CCCc1sc(C(=O)NCc2cc(C(=O)[O-])c(C)o2)cc1CC ZINC000321352636 970763945 /nfs/dbraw/zinc/76/39/45/970763945.db2.gz YHDYUSCILRECBD-UHFFFAOYSA-N -1 0 335.425 3.793 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2ccccc2o1)c1ccc(Cl)c(F)c1 ZINC000181892286 939033112 /nfs/dbraw/zinc/03/31/12/939033112.db2.gz IQYORWCLZZAWOD-OAHLLOKOSA-N -1 0 347.729 3.781 20 0 EHADRM Cc1cc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)sc1C ZINC000181890310 939033412 /nfs/dbraw/zinc/03/34/12/939033412.db2.gz OXVAEGJDWQMYDY-ZDUSSCGKSA-N -1 0 341.791 3.713 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000237569671 939047123 /nfs/dbraw/zinc/04/71/23/939047123.db2.gz ACACMMIZIQOKSA-NHYWBVRUSA-N -1 0 349.839 3.763 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000237771615 939049848 /nfs/dbraw/zinc/04/98/48/939049848.db2.gz YZVZFSBJSDYKTA-UHFFFAOYSA-N -1 0 335.787 3.912 20 0 EHADRM O=C([O-])[C@H](NC(=O)/C=C\c1cccc(F)c1)c1ccc2ccccc2c1 ZINC000762204963 939070867 /nfs/dbraw/zinc/07/08/67/939070867.db2.gz BXYDHDJBJMXJCE-NHHWLVAYSA-N -1 0 349.361 3.934 20 0 EHADRM Cc1cccc([C@H](NC(=O)Cc2ccc(Cl)s2)C(=O)[O-])c1C ZINC000262954261 939089051 /nfs/dbraw/zinc/08/90/51/939089051.db2.gz HLLZSXOEFQTTOS-HNNXBMFYSA-N -1 0 337.828 3.503 20 0 EHADRM Cc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)c(C)n1C(C)C ZINC000263059136 939096623 /nfs/dbraw/zinc/09/66/23/939096623.db2.gz OJECIVUMPPOTCV-QGZVFWFLSA-N -1 0 346.402 3.689 20 0 EHADRM O=C([O-])[C@H](NC(=O)/C=C\C1CCCCC1)c1ccc(Cl)c(F)c1 ZINC000776687835 939104472 /nfs/dbraw/zinc/10/44/72/939104472.db2.gz BPMVOPAFBUAMBF-CXOKCQFOSA-N -1 0 339.794 3.858 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1cccc(C(F)(F)F)c1)c1cccs1 ZINC000322454343 939124755 /nfs/dbraw/zinc/12/47/55/939124755.db2.gz VSYGKHWHUBKEEO-LLVKDONJSA-N -1 0 344.314 3.714 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000323969846 939125644 /nfs/dbraw/zinc/12/56/44/939125644.db2.gz VPMOYSBHVIQYGM-UHFFFAOYSA-N -1 0 333.359 3.788 20 0 EHADRM Cc1ccc(C)c(SCC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000324293464 939125765 /nfs/dbraw/zinc/12/57/65/939125765.db2.gz AZCGDVPIFAXUFY-LJQANCHMSA-N -1 0 343.448 3.512 20 0 EHADRM CCCCc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000324689918 939126320 /nfs/dbraw/zinc/12/63/20/939126320.db2.gz SOKCTFIKVIBBEC-KRWDZBQOSA-N -1 0 326.396 3.977 20 0 EHADRM C[C@@](NC(=O)c1cc2c(cccc2F)s1)(C(=O)[O-])c1ccccc1 ZINC000392050057 939136545 /nfs/dbraw/zinc/13/65/45/939136545.db2.gz UJQXJMJISUUATQ-SFHVURJKSA-N -1 0 343.379 3.770 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1cc(F)ccc1F ZINC000788315367 939148450 /nfs/dbraw/zinc/14/84/50/939148450.db2.gz QYLHYARXLWHBOR-ZDUSSCGKSA-N -1 0 340.713 3.566 20 0 EHADRM COc1ccc([C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)C(=O)[O-])cc1 ZINC000431769726 939153296 /nfs/dbraw/zinc/15/32/96/939153296.db2.gz IXLCPSYBMKMBEG-VUNQQRPYSA-N -1 0 345.439 3.544 20 0 EHADRM CC[C@](NC(=O)/C=C/c1ccsc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000795543332 939157708 /nfs/dbraw/zinc/15/77/08/939157708.db2.gz FHNXLUPZKMXKEN-DLGAGEGBSA-N -1 0 349.839 3.921 20 0 EHADRM C[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1)c1ccsc1 ZINC000431871265 939165339 /nfs/dbraw/zinc/16/53/39/939165339.db2.gz KYIWGHQGIVZGPX-YVEFUNNKSA-N -1 0 339.416 3.947 20 0 EHADRM C[C@@](NC(=O)NCc1ccc2ccccc2c1)(C(=O)[O-])c1ccccc1 ZINC000797707956 939165626 /nfs/dbraw/zinc/16/56/26/939165626.db2.gz YAQGYFLUMZFDNF-NRFANRHFSA-N -1 0 348.402 3.639 20 0 EHADRM Cc1cc2cc(NC(=O)N[C@@](C)(C(=O)[O-])c3ccccc3)ccc2[nH]1 ZINC000797736744 939199374 /nfs/dbraw/zinc/19/93/74/939199374.db2.gz CDWBBBNSLVZAQP-LJQANCHMSA-N -1 0 337.379 3.598 20 0 EHADRM CC[C@](NC(=O)c1ccc(C(C)C)s1)(C(=O)[O-])c1ccccc1 ZINC000439894152 939202917 /nfs/dbraw/zinc/20/29/17/939202917.db2.gz NLMHZSHYHOVMKB-GOSISDBHSA-N -1 0 331.437 3.991 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2ccc(F)cc2)s1 ZINC000455941820 939216426 /nfs/dbraw/zinc/21/64/26/939216426.db2.gz KOSPHWJLKPYZMH-QGZVFWFLSA-N -1 0 335.400 3.740 20 0 EHADRM CC[C@@](NC(=O)CCc1ccc(Cl)cc1)(C(=O)[O-])c1ccccc1 ZINC000485353577 939225154 /nfs/dbraw/zinc/22/51/54/939225154.db2.gz FTDARQGKTFAFRK-IBGZPJMESA-N -1 0 345.826 3.779 20 0 EHADRM CC[C@H](NC(=O)N[C@@H](C(=O)[O-])c1ccsc1)c1ccc(C)cc1 ZINC000520708943 939255058 /nfs/dbraw/zinc/25/50/58/939255058.db2.gz XGBQHDAYWHTAOF-LSDHHAIUSA-N -1 0 332.425 3.633 20 0 EHADRM O=C([O-])[C@H](NC(=O)CC1CCCCC1)c1ccc(OC(F)F)cc1 ZINC000540704521 939293364 /nfs/dbraw/zinc/29/33/64/939293364.db2.gz JPDDDYFULZMGKY-OAHLLOKOSA-N -1 0 341.354 3.500 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc(C2CC2)oc1C1CC1)c1cccs1 ZINC000907646084 939300586 /nfs/dbraw/zinc/30/05/86/939300586.db2.gz YZUKJEKOUHXNPV-CQSZACIVSA-N -1 0 331.393 3.652 20 0 EHADRM Cc1cc(C)cc([C@H](C)NC(=O)N[C@H](C(=O)[O-])c2ccsc2)c1 ZINC000562430011 939325873 /nfs/dbraw/zinc/32/58/73/939325873.db2.gz JDBFVBRBKKWWTM-WFASDCNBSA-N -1 0 332.425 3.551 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1cccc(F)c1)c1ccc2ccccc2c1 ZINC000564770780 939346014 /nfs/dbraw/zinc/34/60/14/939346014.db2.gz XHDGAHPSEGMEGW-KRWDZBQOSA-N -1 0 338.338 3.926 20 0 EHADRM Cc1ccc([C@H](NC(=O)Nc2ccccc2Cl)C(=O)[O-])cc1C ZINC000565400164 939348459 /nfs/dbraw/zinc/34/84/59/939348459.db2.gz ZFTOCQPCKMIIBH-HNNXBMFYSA-N -1 0 332.787 3.904 20 0 EHADRM CO[C@@H]1CCC[C@@H]([C@@H](NC(=O)Nc2cccc(C(C)C)c2)C(=O)[O-])C1 ZINC000566298796 939353880 /nfs/dbraw/zinc/35/38/80/939353880.db2.gz GCHYVFUUJFSBTN-DJIMGWMZSA-N -1 0 348.443 3.590 20 0 EHADRM Cc1ccc([C@@H](NC(=O)Nc2cc(F)cc(F)c2)C(=O)[O-])cc1C ZINC000569656241 939376742 /nfs/dbraw/zinc/37/67/42/939376742.db2.gz XVGYOSIXHOBTJB-OAHLLOKOSA-N -1 0 334.322 3.529 20 0 EHADRM Cc1cc2cc(NC(=O)N[C@@H](C(=O)[O-])C3CCCCC3)ccc2[nH]1 ZINC000570996122 939387922 /nfs/dbraw/zinc/38/79/22/939387922.db2.gz BDOYVXAPIQWYAY-MRXNPFEDSA-N -1 0 329.400 3.631 20 0 EHADRM O=C([O-])[C@H](NC(=O)CCCCCc1cccs1)c1ccsc1 ZINC000575815674 939734233 /nfs/dbraw/zinc/73/42/33/939734233.db2.gz NOMLBHKPGROVIX-OAHLLOKOSA-N -1 0 337.466 3.855 20 0 EHADRM CCc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)cc1 ZINC000576142496 939737191 /nfs/dbraw/zinc/73/71/91/939737191.db2.gz JIFHNFDWVMFUJP-MRXNPFEDSA-N -1 0 330.359 3.644 20 0 EHADRM CCSc1cccc(NC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)c1 ZINC000577766371 939749089 /nfs/dbraw/zinc/74/90/89/939749089.db2.gz FDQVMOROMTUALP-OAHLLOKOSA-N -1 0 336.457 3.954 20 0 EHADRM Cc1ccc(F)c(NC(=O)N[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)c1 ZINC000579428422 939762282 /nfs/dbraw/zinc/76/22/82/939762282.db2.gz AOPWKNOEMPTRPI-MRXNPFEDSA-N -1 0 330.359 3.698 20 0 EHADRM CCC1CCC(NC(=O)Nc2ccc3[nH]ccc3c2)(C(=O)[O-])CC1 ZINC000579910051 939765967 /nfs/dbraw/zinc/76/59/67/939765967.db2.gz WCUIPJQJZMRKNT-UHFFFAOYSA-N -1 0 329.400 3.713 20 0 EHADRM CCC[C@@H](C(=O)N[C@@H](C(=O)[O-])c1cccnc1)c1cccc(Cl)c1 ZINC000910987617 939766048 /nfs/dbraw/zinc/76/60/48/939766048.db2.gz CBGQYLIFVJOSTQ-HZPDHXFCSA-N -1 0 346.814 3.561 20 0 EHADRM O=C([O-])[C@H](NC(=O)NCc1ccc2ccccc2c1)c1cccs1 ZINC000580691573 939773450 /nfs/dbraw/zinc/77/34/50/939773450.db2.gz VDCHCRMRBGBWDC-MRXNPFEDSA-N -1 0 340.404 3.526 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)NC3(C(=O)[O-])CCCC3)ccc2o1 ZINC000581685796 939779800 /nfs/dbraw/zinc/77/98/00/939779800.db2.gz SOSZPDUWPXEUNF-UHFFFAOYSA-N -1 0 345.399 3.644 20 0 EHADRM CCC1CCC(NC(=O)c2ccsc2C(F)F)(C(=O)[O-])CC1 ZINC000923068131 939784199 /nfs/dbraw/zinc/78/41/99/939784199.db2.gz ZSRZAQNPXOLDDT-UHFFFAOYSA-N -1 0 331.384 3.839 20 0 EHADRM Cc1ccc([C@H](NC(=O)c2ccsc2C(F)F)C(=O)[O-])cc1C ZINC000923081695 939785037 /nfs/dbraw/zinc/78/50/37/939785037.db2.gz MZMICRVHPAJCOE-LBPRGKRZSA-N -1 0 339.363 3.858 20 0 EHADRM CC[C@H](NC(=O)N[C@H](C(=O)[O-])c1ccccc1)c1ccc(C)cc1 ZINC000583518756 939791392 /nfs/dbraw/zinc/79/13/92/939791392.db2.gz UYPNQTWKZOJNGL-IRXDYDNUSA-N -1 0 326.396 3.571 20 0 EHADRM Cc1cc(C)cc([C@@H](NC(=O)Nc2cccc(Cl)c2)C(=O)[O-])c1 ZINC000583730398 939792582 /nfs/dbraw/zinc/79/25/82/939792582.db2.gz SMUUDZOICJNGNM-OAHLLOKOSA-N -1 0 332.787 3.904 20 0 EHADRM Cc1cccc([C@H](NC(=O)N[C@@H](C)c2ccsc2)C(=O)[O-])c1C ZINC000929033379 939795286 /nfs/dbraw/zinc/79/52/86/939795286.db2.gz IACRRLQGEJSOOW-WFASDCNBSA-N -1 0 332.425 3.551 20 0 EHADRM CC(C)c1ccc(SCC(=O)N[C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC000584243329 939796618 /nfs/dbraw/zinc/79/66/18/939796618.db2.gz XDWHCTFBXVGMCN-MRXNPFEDSA-N -1 0 349.477 3.906 20 0 EHADRM CCSCc1ccc(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000610847680 939808131 /nfs/dbraw/zinc/80/81/31/939808131.db2.gz FPCMZSBTZAORAF-IBGZPJMESA-N -1 0 343.448 3.670 20 0 EHADRM C[C@@H](CCC(=O)N[C@@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000649361961 939832579 /nfs/dbraw/zinc/83/25/79/939832579.db2.gz ARLHLAJHDJKTKB-SCLBCKFNSA-N -1 0 329.371 3.652 20 0 EHADRM O=C([O-])C1(NC(=O)c2ccc(C(F)F)cc2F)CCCCCC1 ZINC000656238030 939841650 /nfs/dbraw/zinc/84/16/50/939841650.db2.gz IFUJWOBLZZQUFP-UHFFFAOYSA-N -1 0 329.318 3.671 20 0 EHADRM CCC1CCC(NC(=O)C[C@]23CCCC[C@H]2C3(F)F)(C(=O)[O-])CC1 ZINC000659137273 939847620 /nfs/dbraw/zinc/84/76/20/939847620.db2.gz IQEBDLIEBLQZBK-OYUHZNFDSA-N -1 0 343.414 3.742 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@@H]1CCC[C@H]1Cc1ccccc1)c1cccs1 ZINC000659150793 939847919 /nfs/dbraw/zinc/84/79/19/939847919.db2.gz DVRHMRLXCDHRSM-ZMSDIMECSA-N -1 0 343.448 3.649 20 0 EHADRM C[C@@H](NC(=O)[C@@H](C(=O)[O-])C1CC1)c1ccc(Cl)c2ccccc21 ZINC000663046636 939851290 /nfs/dbraw/zinc/85/12/90/939851290.db2.gz ASUQIANOIVUATL-HWPZZCPQSA-N -1 0 331.799 3.781 20 0 EHADRM CC(C)Oc1ccc([C@@H](C)NC(=O)[C@H](C(=O)[O-])C2CCCC2)cc1 ZINC000663065911 939852113 /nfs/dbraw/zinc/85/21/13/939852113.db2.gz GCSRAPIBYMGKEQ-CXAGYDPISA-N -1 0 333.428 3.542 20 0 EHADRM CC(C)[C@@H](CC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000675979189 939864152 /nfs/dbraw/zinc/86/41/52/939864152.db2.gz CWPFGKNTUXHPND-WIYYLYMNSA-N -1 0 339.435 3.933 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000675980286 939864759 /nfs/dbraw/zinc/86/47/59/939864759.db2.gz NMJJYJBANJSGEE-IFXJQAMLSA-N -1 0 343.448 3.531 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl)c1ccccc1F ZINC000678986467 939869073 /nfs/dbraw/zinc/86/90/73/939869073.db2.gz VVVCVUJGTZKPPU-XJKCOSOUSA-N -1 0 347.773 3.525 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1Cl)c1ccccc1F ZINC000678986463 939869104 /nfs/dbraw/zinc/86/91/04/939869104.db2.gz VVVCVUJGTZKPPU-HEHGZKQESA-N -1 0 347.773 3.525 20 0 EHADRM C[C@@H]1CCc2c(C(=O)N[C@@H](C(=O)[O-])c3ccccc3F)csc2C1 ZINC000678987186 939869276 /nfs/dbraw/zinc/86/92/76/939869276.db2.gz PTADMOGHBKSXKM-QLJPJBMISA-N -1 0 347.411 3.568 20 0 EHADRM Cc1cc(NC(=O)NCc2ccc3cccnc3c2)ccc1C(=O)[O-] ZINC001600270557 970790378 /nfs/dbraw/zinc/79/03/78/970790378.db2.gz FCLWWXBNBXYBOP-UHFFFAOYSA-N -1 0 335.363 3.563 20 0 EHADRM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C1 ZINC000321654498 970794309 /nfs/dbraw/zinc/79/43/09/970794309.db2.gz LAYFLMHIIJEWHB-KXUCPTDWSA-N -1 0 326.343 3.561 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC000321705554 970799600 /nfs/dbraw/zinc/79/96/00/970799600.db2.gz OGBSDTPTPVKCQJ-JTQLQIEISA-N -1 0 342.798 3.834 20 0 EHADRM CCCC1CCN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CC1 ZINC000322292238 970869009 /nfs/dbraw/zinc/86/90/09/970869009.db2.gz XXRXLMUXLKKBRS-UHFFFAOYSA-N -1 0 326.343 3.707 20 0 EHADRM C[C@@H]1CCc2c(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)csc2C1 ZINC000323054225 970961955 /nfs/dbraw/zinc/96/19/55/970961955.db2.gz HONNNEWGFWPMNU-SECBINFHSA-N -1 0 333.384 3.963 20 0 EHADRM COc1cccc(Cl)c1CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000323057645 970962208 /nfs/dbraw/zinc/96/22/08/970962208.db2.gz JYHHFHNSYUXFMM-UHFFFAOYSA-N -1 0 336.731 3.567 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2ccccc2c(Cl)n1)c1cccs1 ZINC000323155846 970971457 /nfs/dbraw/zinc/97/14/57/970971457.db2.gz PEVGSQJTPIBLGE-ZDUSSCGKSA-N -1 0 346.795 3.505 20 0 EHADRM N#Cc1ccc(CN2CC[C@@H](C(=O)[O-])c3ccccc32)c(Cl)c1 ZINC000323215950 970978084 /nfs/dbraw/zinc/97/80/84/970978084.db2.gz TZNVGGCKYJQQRF-OAHLLOKOSA-N -1 0 326.783 3.790 20 0 EHADRM CCc1ccc(NC(=O)COc2ccc(Cl)cc2)c(C(=O)[O-])c1 ZINC000323357773 970995293 /nfs/dbraw/zinc/99/52/93/970995293.db2.gz VVPCSTURTITAGH-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM Cc1ccc(O[C@@H](C)C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)cc1 ZINC000323997284 971071897 /nfs/dbraw/zinc/07/18/97/971071897.db2.gz DTHLTQCETBTBHE-NSHDSACASA-N -1 0 345.420 3.649 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc2c(cccc2F)s1 ZINC000324003749 971072314 /nfs/dbraw/zinc/07/23/14/971072314.db2.gz GUIFLEGVUHLASL-BPNCWPANSA-N -1 0 347.411 3.898 20 0 EHADRM Cc1ccc(C)c(SCC(=O)N(C)C2(C(=O)[O-])CCCCC2)c1 ZINC000324140232 971087970 /nfs/dbraw/zinc/08/79/70/971087970.db2.gz RUJODDUNVGDZIX-UHFFFAOYSA-N -1 0 335.469 3.641 20 0 EHADRM C[C@@H]1CCC[C@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC000324144726 971088055 /nfs/dbraw/zinc/08/80/55/971088055.db2.gz WVOKNZRFVDABFO-ZJUUUORDSA-N -1 0 326.343 3.753 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N2CC3(CCC3)[C@H]2c2ccco2)c1 ZINC001611506577 971088087 /nfs/dbraw/zinc/08/80/87/971088087.db2.gz QUAFEEUENYRQSC-QGZVFWFLSA-N -1 0 340.379 3.666 20 0 EHADRM CCCOc1ccc(NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000324315440 971108549 /nfs/dbraw/zinc/10/85/49/971108549.db2.gz FUHKVTFMJUFQCO-UHFFFAOYSA-N -1 0 332.331 3.957 20 0 EHADRM C[C@@](NC(=O)c1cc2c(s1)CCCCC2)(C(=O)[O-])c1ccccc1 ZINC000324452350 971121752 /nfs/dbraw/zinc/12/17/52/971121752.db2.gz VYUYMCSRXCRGBR-IBGZPJMESA-N -1 0 343.448 3.747 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)N2CCC(c3ccco3)CC2)c1 ZINC001602041286 971125546 /nfs/dbraw/zinc/12/55/46/971125546.db2.gz BRZCAIDAYXIDTJ-UHFFFAOYSA-N -1 0 342.395 3.708 20 0 EHADRM O=C([O-])c1ccc(-c2noc(-c3ccccc3OC(F)F)n2)cc1 ZINC000324503927 971126816 /nfs/dbraw/zinc/12/68/16/971126816.db2.gz LKBIKQGDDAENQJ-UHFFFAOYSA-N -1 0 332.262 3.703 20 0 EHADRM C/C(=C/C(=O)[O-])COc1ccc([N+](=O)[O-])cc1Cc1ccccc1 ZINC000324667523 971145564 /nfs/dbraw/zinc/14/55/64/971145564.db2.gz KDXIGNANYJHTET-LCYFTJDESA-N -1 0 327.336 3.595 20 0 EHADRM CCOc1ccc(C(C)=O)cc1COc1cc(C(=O)[O-])ccc1C ZINC000324641048 971143242 /nfs/dbraw/zinc/14/32/42/971143242.db2.gz XFHAAJNPXXMOCH-UHFFFAOYSA-N -1 0 328.364 3.874 20 0 EHADRM Cc1ccc(CCC(=O)NCCc2ccccc2C(=O)[O-])cc1Cl ZINC000324695806 971148714 /nfs/dbraw/zinc/14/87/14/971148714.db2.gz WNNXLSOAYFYSTM-UHFFFAOYSA-N -1 0 345.826 3.638 20 0 EHADRM CCCC1CCC(NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000324718566 971151522 /nfs/dbraw/zinc/15/15/22/971151522.db2.gz TVJUVYMDZNYRJZ-UHFFFAOYSA-N -1 0 332.444 3.885 20 0 EHADRM O=C([O-])c1cc(NC(=O)NC(C2CCC2)C2CCC2)c(F)cc1F ZINC000324733182 971152777 /nfs/dbraw/zinc/15/27/77/971152777.db2.gz ISNUVEGQDVXUJZ-UHFFFAOYSA-N -1 0 338.354 3.753 20 0 EHADRM Cc1c(NC(=O)c2ccc(COC(C)C)cc2)cccc1C(=O)[O-] ZINC000324792670 971157009 /nfs/dbraw/zinc/15/70/09/971157009.db2.gz MGBAYCPCLUFIAR-UHFFFAOYSA-N -1 0 327.380 3.871 20 0 EHADRM Cc1ccc(CCC(=O)Nc2cccc(OCC(=O)[O-])c2)cc1Cl ZINC000325126753 971188164 /nfs/dbraw/zinc/18/81/64/971188164.db2.gz DSABDRMXSFXEIB-UHFFFAOYSA-N -1 0 347.798 3.683 20 0 EHADRM Cc1ccc(CN(C)C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)o1 ZINC000325267843 971199500 /nfs/dbraw/zinc/19/95/00/971199500.db2.gz GQRAVSYCLBJUKK-UHFFFAOYSA-N -1 0 330.384 3.614 20 0 EHADRM COc1ccc(NC(=O)N(C)Cc2ccccc2Cl)c(C(=O)[O-])c1 ZINC000325363949 971208208 /nfs/dbraw/zinc/20/82/08/971208208.db2.gz IIYHITNQRDUEHW-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)Nc1ccc(Cl)c2cccnc12 ZINC000325582100 971228721 /nfs/dbraw/zinc/22/87/21/971228721.db2.gz LDOPKPMWCRANND-UHFFFAOYSA-N -1 0 340.766 3.768 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000326426286 971291977 /nfs/dbraw/zinc/29/19/77/971291977.db2.gz WELQSTLGOZODHR-UHFFFAOYSA-N -1 0 348.742 3.518 20 0 EHADRM Cc1ccc(CCC(=O)N2CCc3ccc(C(=O)[O-])cc32)cc1Cl ZINC000326461842 971295572 /nfs/dbraw/zinc/29/55/72/971295572.db2.gz VWYAGXMUFLITRA-UHFFFAOYSA-N -1 0 343.810 3.869 20 0 EHADRM CCc1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c(C(=O)[O-])c1 ZINC000326757451 971324939 /nfs/dbraw/zinc/32/49/39/971324939.db2.gz MVUCHGFVASPWLM-UHFFFAOYSA-N -1 0 348.742 3.761 20 0 EHADRM Cc1cc(C)c(OCC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c(C)c1 ZINC000326808536 971330854 /nfs/dbraw/zinc/33/08/54/971330854.db2.gz GTMURHXQBQFDJX-UHFFFAOYSA-N -1 0 349.333 3.606 20 0 EHADRM O=C([O-])c1ccc2c(c1)N(C(=O)Cc1ccc3ccccc3c1)CC2 ZINC000326886558 971340084 /nfs/dbraw/zinc/34/00/84/971340084.db2.gz FHXFCBMHQSMRBD-UHFFFAOYSA-N -1 0 331.371 3.670 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)NCc1cccc2cccnc21 ZINC000326927225 971346692 /nfs/dbraw/zinc/34/66/92/971346692.db2.gz BFMVLJZIYDHPHD-UHFFFAOYSA-N -1 0 335.363 3.563 20 0 EHADRM CCCC[C@H](CCC)NC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000327088657 971365843 /nfs/dbraw/zinc/36/58/43/971365843.db2.gz ISDILDMPPMHNKY-KRWDZBQOSA-N -1 0 332.444 3.811 20 0 EHADRM COc1ccc(N(C)C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC000327211778 971376958 /nfs/dbraw/zinc/37/69/58/971376958.db2.gz RJGXAYWDFLEVME-UHFFFAOYSA-N -1 0 342.395 3.726 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000327359144 971391996 /nfs/dbraw/zinc/39/19/96/971391996.db2.gz WNXNIRBGQLSSAC-UHFFFAOYSA-N -1 0 341.338 3.551 20 0 EHADRM O=C([O-])[C@H]1CCN(Cc2cc(F)cc3cccnc32)c2ccccc21 ZINC000327396993 971395634 /nfs/dbraw/zinc/39/56/34/971395634.db2.gz SYAPCPLIBNMPCJ-KRWDZBQOSA-N -1 0 336.366 3.952 20 0 EHADRM C[C@@H](CCNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1ccccc1 ZINC000327443497 971400169 /nfs/dbraw/zinc/40/01/69/971400169.db2.gz VFFUWPNVKAUVOU-NSHDSACASA-N -1 0 348.349 3.978 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2ccc(F)c3ccccc23)c2ccccc21 ZINC000327646609 971415082 /nfs/dbraw/zinc/41/50/82/971415082.db2.gz UNUARTFNZYXVBA-INIZCTEOSA-N -1 0 335.334 3.808 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)N[C@@H]2CCCCC23CCCC3)c1 ZINC000327873383 971430818 /nfs/dbraw/zinc/43/08/18/971430818.db2.gz XPCKQHWACBNKFU-MRXNPFEDSA-N -1 0 346.427 3.775 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)N2CCCc3ccccc3C2)c1F ZINC000328001814 971440322 /nfs/dbraw/zinc/44/03/22/971440322.db2.gz JJAPBAMRZFPRTB-UHFFFAOYSA-N -1 0 346.333 3.643 20 0 EHADRM Cc1cc(-c2noc(-c3ccc(C(=O)[O-])cc3)n2)nc2ccccc12 ZINC000328355671 971465056 /nfs/dbraw/zinc/46/50/56/971465056.db2.gz TUVMSCZZFZXTKD-UHFFFAOYSA-N -1 0 331.331 3.958 20 0 EHADRM CCOc1ccc(OCCCC(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000013095105 948777925 /nfs/dbraw/zinc/77/79/25/948777925.db2.gz OCMNQPKOEHPZCH-UHFFFAOYSA-N -1 0 343.379 3.581 20 0 EHADRM CC[C@@H](CNc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001589555150 948784048 /nfs/dbraw/zinc/78/40/48/948784048.db2.gz IGKNYMJNSVPMTA-AWEZNQCLSA-N -1 0 341.411 3.705 20 0 EHADRM Cc1ccc(NC(=O)c2cccc(C(=O)[O-])c2)c(Br)c1 ZINC000035347460 948809294 /nfs/dbraw/zinc/80/92/94/948809294.db2.gz FQLLBVYGTYSUJJ-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM CCC(F)(F)c1ccccc1NC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001589562246 948829915 /nfs/dbraw/zinc/82/99/15/948829915.db2.gz SPVHQGGBAYFJHK-HNNXBMFYSA-N -1 0 326.343 3.517 20 0 EHADRM CN(C(=O)c1ccc(Cl)cc1Cl)C1(C(=O)[O-])CCCCC1 ZINC000336848775 971515670 /nfs/dbraw/zinc/51/56/70/971515670.db2.gz MYQYUFONUAQFJU-UHFFFAOYSA-N -1 0 330.211 3.853 20 0 EHADRM Cc1oc(CNC(=O)[C@H]2C[C@H]2c2cccc3ccccc32)cc1C(=O)[O-] ZINC000345882373 971519682 /nfs/dbraw/zinc/51/96/82/971519682.db2.gz ANGZEOZXHHIJRA-OALUTQOASA-N -1 0 349.386 3.859 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(OCc3ccncc3)cc2)cc1 ZINC000347001024 971520787 /nfs/dbraw/zinc/52/07/87/971520787.db2.gz VDHJPQPCRNLQFF-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM CCCC[C@H](NC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000347264821 971522939 /nfs/dbraw/zinc/52/29/39/971522939.db2.gz SUVPHYYTFIXLOE-RISCZKNCSA-N -1 0 345.361 3.644 20 0 EHADRM CCCC[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000347274797 971522959 /nfs/dbraw/zinc/52/29/59/971522959.db2.gz ZZETUBIKOXTKGM-KURKYZTESA-N -1 0 325.408 3.703 20 0 EHADRM CCCC[C@H](NC(=O)C(C)(C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000347274194 971523027 /nfs/dbraw/zinc/52/30/27/971523027.db2.gz YURDWNSJBDRWMX-ZDUSSCGKSA-N -1 0 345.361 3.743 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2[nH]c3ccccc3c2Cl)cc1 ZINC000348057997 971527021 /nfs/dbraw/zinc/52/70/21/971527021.db2.gz ZSDIHXXFRZMBHX-UHFFFAOYSA-N -1 0 344.754 3.537 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)cc1 ZINC000348003809 971527952 /nfs/dbraw/zinc/52/79/52/971527952.db2.gz RIILBUYWRSMXAV-UHFFFAOYSA-N -1 0 344.754 3.537 20 0 EHADRM Cc1ccccc1[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC000358609667 971531657 /nfs/dbraw/zinc/53/16/57/971531657.db2.gz PMMDIYWUJUVNSX-QGZVFWFLSA-N -1 0 327.355 3.810 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)c(F)c1 ZINC000358609650 971531767 /nfs/dbraw/zinc/53/17/67/971531767.db2.gz JWXYGUCBDZYCGG-CQSZACIVSA-N -1 0 349.358 3.630 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC001589584651 949032459 /nfs/dbraw/zinc/03/24/59/949032459.db2.gz KNURKJKSTSJURO-APWZRJJASA-N -1 0 343.448 3.674 20 0 EHADRM C[C@H]1CCCCCN1C(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000361095710 971534106 /nfs/dbraw/zinc/53/41/06/971534106.db2.gz KCPSKDROCXYIIJ-JTQLQIEISA-N -1 0 340.217 3.552 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)c3cccc(C(=O)[O-])n3)cc2s1 ZINC000362496468 971535249 /nfs/dbraw/zinc/53/52/49/971535249.db2.gz GQKNPAVANXHBFF-UHFFFAOYSA-N -1 0 341.392 3.765 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C[C@H]2CCCc3ccccc32)C1 ZINC001589591868 949097080 /nfs/dbraw/zinc/09/70/80/949097080.db2.gz SXWDVXNBEXVMGN-UZLBHIALSA-N -1 0 329.440 3.600 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Cc2coc3cc(C)c(C)cc23)C1 ZINC001589594912 949132724 /nfs/dbraw/zinc/13/27/24/949132724.db2.gz CDVDOWXLAOVFJO-FQEVSTJZSA-N -1 0 343.423 3.696 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)o1 ZINC001595226390 949298478 /nfs/dbraw/zinc/29/84/78/949298478.db2.gz VVSGIVIICDTCHI-PXTSUWAFSA-N -1 0 347.317 3.633 20 0 EHADRM C[C@@](CNC(=O)c1cccc(-c2ccoc2)c1)(C(=O)[O-])c1ccccc1 ZINC000193088188 949518637 /nfs/dbraw/zinc/51/86/37/949518637.db2.gz PIXSGBIXYVJYPX-NRFANRHFSA-N -1 0 349.386 3.719 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1 ZINC001602806238 971587885 /nfs/dbraw/zinc/58/78/85/971587885.db2.gz FBPCAGTXQQWGFD-LLVKDONJSA-N -1 0 332.787 3.611 20 0 EHADRM CCC[C@@H](NC(=O)Nc1ccnc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC001589634281 949590012 /nfs/dbraw/zinc/59/00/12/949590012.db2.gz NPENAAOZDCRRGL-CQSZACIVSA-N -1 0 349.337 3.721 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC001595274104 949888336 /nfs/dbraw/zinc/88/83/36/949888336.db2.gz TVBKFOWQGQFKML-CMPLNLGQSA-N -1 0 348.761 3.705 20 0 EHADRM CCCCc1ccc(CC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000236895296 949942958 /nfs/dbraw/zinc/94/29/58/949942958.db2.gz TWYOHTQPKKGEHK-GOSISDBHSA-N -1 0 331.456 3.675 20 0 EHADRM CCCOc1ccc(NC(=O)[C@]2(C(=O)[O-])CC2(C)C)cc1Cl ZINC001589681584 950052930 /nfs/dbraw/zinc/05/29/30/950052930.db2.gz UVKQSBLVGICTHC-INIZCTEOSA-N -1 0 325.792 3.568 20 0 EHADRM CCC(CC)(CNC(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000262109691 950066960 /nfs/dbraw/zinc/06/69/60/950066960.db2.gz MOVICJDQEYFIJF-HUUCEWRRSA-N -1 0 337.847 3.625 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)C2(c3ccccc3F)CCCC2)C1 ZINC000262204838 950084123 /nfs/dbraw/zinc/08/41/23/950084123.db2.gz JXVIFQZIVMVOMT-OAHLLOKOSA-N -1 0 347.430 3.741 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)c1 ZINC000262375136 950113842 /nfs/dbraw/zinc/11/38/42/950113842.db2.gz JGQVPUDTFSSVCC-UONOGXRCSA-N -1 0 345.345 3.724 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000262403041 950120878 /nfs/dbraw/zinc/12/08/78/950120878.db2.gz OBCDAOQYUFWVIP-ZDUSSCGKSA-N -1 0 329.371 3.660 20 0 EHADRM C[C@@H](C(=O)[O-])c1noc(-c2cnc(-c3ccccc3Cl)s2)n1 ZINC001602822517 971636403 /nfs/dbraw/zinc/63/64/03/971636403.db2.gz HRANCPOPQZRRHC-SSDOTTSWSA-N -1 0 335.772 3.702 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)CCCc2ccc3ccccc3c2)C1 ZINC000262685547 950152486 /nfs/dbraw/zinc/15/24/86/950152486.db2.gz CFURCJFMJPLVPN-MSOLQXFVSA-N -1 0 325.408 3.532 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccccc1 ZINC000262912791 950185432 /nfs/dbraw/zinc/18/54/32/950185432.db2.gz DTZSLYODJUBFRS-KXBFYZLASA-N -1 0 332.444 3.670 20 0 EHADRM C[C@@H](CC(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1ccc(F)cc1F ZINC000262954109 950199144 /nfs/dbraw/zinc/19/91/44/950199144.db2.gz NBYPZJGJMNUNDB-GXTWGEPZSA-N -1 0 339.382 3.704 20 0 EHADRM Cc1c(NC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cccc1C(F)(F)F ZINC000263076930 950248214 /nfs/dbraw/zinc/24/82/14/950248214.db2.gz HHJKWHGINMTZKF-MWLCHTKSSA-N -1 0 344.333 3.588 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)c1sccc1Br)C(=O)[O-] ZINC000263096853 950262869 /nfs/dbraw/zinc/26/28/69/950262869.db2.gz IKZPYQCDPWXBKW-VIFPVBQESA-N -1 0 348.262 3.520 20 0 EHADRM CCCn1ccc2cc(NC(=O)N3C[C@@H](C)C[C@H](C(=O)[O-])C3)ccc21 ZINC000263112411 950273497 /nfs/dbraw/zinc/27/34/97/950273497.db2.gz LDPHOHYJRASAIX-ZFWWWQNUSA-N -1 0 343.427 3.626 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000263206683 950325831 /nfs/dbraw/zinc/32/58/31/950325831.db2.gz NAIHNAORYSOWPU-HOCLYGCPSA-N -1 0 331.456 3.628 20 0 EHADRM O=C([O-])c1cccc(NCc2cccc(NC(=O)C3CCCC3)c2)n1 ZINC000263491691 950490765 /nfs/dbraw/zinc/49/07/65/950490765.db2.gz IQQVPDLNCOWLSR-UHFFFAOYSA-N -1 0 339.395 3.521 20 0 EHADRM Cc1c(C(=O)[O-])cc(CNc2cc(C)ccc2Br)n1C ZINC000380142627 971680059 /nfs/dbraw/zinc/68/00/59/971680059.db2.gz VROIDCUAXAFFKJ-UHFFFAOYSA-N -1 0 337.217 3.715 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC[C@@H]1C(=O)[O-] ZINC000313753308 950797847 /nfs/dbraw/zinc/79/78/47/950797847.db2.gz GMOABQPUALHSPV-SCZZXKLOSA-N -1 0 331.199 3.568 20 0 EHADRM CC1(C)CC(CNC(=O)c2csc(-c3nn[nH]n3)c2)CC(C)(C)C1 ZINC001575638989 950849713 /nfs/dbraw/zinc/84/97/13/950849713.db2.gz LPYGBTCNXDNJGJ-UHFFFAOYSA-N -1 0 347.488 3.511 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)Nc2cc(F)cc(Cl)c2)C1 ZINC000317792681 950913333 /nfs/dbraw/zinc/91/33/33/950913333.db2.gz FFEYWKCEYMFSIM-JTQLQIEISA-N -1 0 328.771 3.588 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000318602648 950930739 /nfs/dbraw/zinc/93/07/39/950930739.db2.gz NDWYEMYKCDJNQY-UHFFFAOYSA-N -1 0 338.713 3.687 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@@H]2CCc3c2cccc3Cl)CCCCC1 ZINC001594977954 950949270 /nfs/dbraw/zinc/94/92/70/950949270.db2.gz BYNVCBBVAFWFGE-CQSZACIVSA-N -1 0 335.831 3.664 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cc(C3CC3)cnc2Cl)CCCCC1 ZINC001594980317 950983557 /nfs/dbraw/zinc/98/35/57/950983557.db2.gz VCTMCCMOYCZQIW-UHFFFAOYSA-N -1 0 336.819 3.520 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Nc1nc2ccccc2s1 ZINC000320457395 950990815 /nfs/dbraw/zinc/99/08/15/950990815.db2.gz YUAHOAIIPMMBSM-LLVKDONJSA-N -1 0 333.413 3.548 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2csc3c2CC[C@H](C)C3)C1 ZINC000320952611 951008177 /nfs/dbraw/zinc/00/81/77/951008177.db2.gz UUSZTJQYKUNKBR-KPZWWZAWSA-N -1 0 335.469 3.590 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)N[C@@H](C2CCC2)C2CCCCC2)C1 ZINC001594988454 951036129 /nfs/dbraw/zinc/03/61/29/951036129.db2.gz HWNKADKNKXXNOY-RDTXWAMCSA-N -1 0 336.476 3.632 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCCC[C@H]2CCC(=O)[O-])o1 ZINC000324265760 951063830 /nfs/dbraw/zinc/06/38/30/951063830.db2.gz IXVHAEMRQYCMFD-YCPHGPKFSA-N -1 0 333.428 3.582 20 0 EHADRM O=C([O-])CC1(NC(=O)CCc2nc3ccccc3s2)CCCCC1 ZINC000325585011 951087141 /nfs/dbraw/zinc/08/71/41/951087141.db2.gz PQRAPBNOERVKRI-UHFFFAOYSA-N -1 0 346.452 3.523 20 0 EHADRM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000326626551 951102312 /nfs/dbraw/zinc/10/23/12/951102312.db2.gz QZOHUPGCANQHJZ-LBPRGKRZSA-N -1 0 344.333 3.508 20 0 EHADRM Cc1ccc(-c2cc(C(=O)Nc3cccc(CCC(=O)[O-])c3)n[nH]2)cc1 ZINC000344059504 951132573 /nfs/dbraw/zinc/13/25/73/951132573.db2.gz ZAMJKACQYDTPFS-UHFFFAOYSA-N -1 0 349.390 3.655 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)Cc1ccc2c(c1)CCCC2)C(=O)[O-] ZINC001602861188 971718542 /nfs/dbraw/zinc/71/85/42/971718542.db2.gz MDBCHMIDHSLMCS-KRWDZBQOSA-N -1 0 331.456 3.504 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000368891125 951143668 /nfs/dbraw/zinc/14/36/68/951143668.db2.gz ZUFUNSZLVHUYMT-UHFFFAOYSA-N -1 0 345.345 3.683 20 0 EHADRM C[C@H](NC(=O)N1CCCC[C@@H]1CCC(=O)[O-])[C@@H]1CC2CCC1CC2 ZINC000382174262 951219204 /nfs/dbraw/zinc/21/92/04/951219204.db2.gz QBZRQVUBWGGBPU-WMUVLYSMSA-N -1 0 336.476 3.630 20 0 EHADRM CCOc1ccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c(C(F)(F)F)c1 ZINC001592705067 951357029 /nfs/dbraw/zinc/35/70/29/951357029.db2.gz JYUJYECXCYJANH-VHSXEESVSA-N -1 0 345.317 3.544 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)NCc3cccc(C(=O)[O-])c3)cc2C1 ZINC000390343962 951376041 /nfs/dbraw/zinc/37/60/41/951376041.db2.gz WWDXQWKLONVKRJ-LLVKDONJSA-N -1 0 329.421 3.501 20 0 EHADRM Cc1ccc(NC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1C(F)(F)F ZINC000397078827 951516497 /nfs/dbraw/zinc/51/64/97/951516497.db2.gz GNGWRVYKHRSTSF-MNOVXSKESA-N -1 0 344.333 3.731 20 0 EHADRM O=C([O-])CCc1cccc(Nc2cnc3cc(F)c(F)cc3n2)c1 ZINC001595066472 951552249 /nfs/dbraw/zinc/55/22/49/951552249.db2.gz LPVMTUIUERJQEH-UHFFFAOYSA-N -1 0 329.306 3.669 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)[C@@H]1CCOC3(CCC3)C1)CCCC2 ZINC001595207059 952335668 /nfs/dbraw/zinc/33/56/68/952335668.db2.gz RPCNCERNZITRMT-LLVKDONJSA-N -1 0 349.452 3.613 20 0 EHADRM C[C@@H](c1ccccc1)N(C)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000383623881 971882116 /nfs/dbraw/zinc/88/21/16/971882116.db2.gz CNVNOCBIIAMOCI-JTQLQIEISA-N -1 0 334.322 3.888 20 0 EHADRM CCSCc1ccccc1C(=O)N1CCC[C@](CC)(C(=O)[O-])C1 ZINC001593597978 953385205 /nfs/dbraw/zinc/38/52/05/953385205.db2.gz ZIIJQPYVAOIGMW-SFHVURJKSA-N -1 0 335.469 3.657 20 0 EHADRM O=C([O-])CCCCCNC(=O)NC[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000414607701 953396581 /nfs/dbraw/zinc/39/65/81/953396581.db2.gz IAZQEBWUBBOEHG-DLBZAZTESA-N -1 0 332.444 3.515 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NCCCCCC(=O)[O-])o1 ZINC000414610716 953398192 /nfs/dbraw/zinc/39/81/92/953398192.db2.gz NNQWXLWPDJGUBE-ZFWWWQNUSA-N -1 0 336.432 3.716 20 0 EHADRM CC(C)(CNC(=O)NCCCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000414614760 953399059 /nfs/dbraw/zinc/39/90/59/953399059.db2.gz OQSHEQJLRWXHFB-UHFFFAOYSA-N -1 0 340.851 3.562 20 0 EHADRM CC(C)(NC(=O)[C@]1(C(=O)[O-])CC=CCC1)c1cccc(Cl)c1F ZINC001602950297 971926551 /nfs/dbraw/zinc/92/65/51/971926551.db2.gz LKXFYYMORGPHGR-KRWDZBQOSA-N -1 0 339.794 3.642 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)/C=C\c2ccc(F)c3ccccc23)C1 ZINC001589269584 953405203 /nfs/dbraw/zinc/40/52/03/953405203.db2.gz WYZQBXYXGMIXRX-NQSJFCTJSA-N -1 0 341.382 3.561 20 0 EHADRM Cc1cc(N(C)C)ccc1NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000417734552 953415541 /nfs/dbraw/zinc/41/55/41/953415541.db2.gz RXVQVPIGKXLQFP-UHFFFAOYSA-N -1 0 341.411 3.722 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1)C(=O)[O-] ZINC000424425011 953482268 /nfs/dbraw/zinc/48/22/68/953482268.db2.gz PWMBJTWOGILQNX-UAGQMJEPSA-N -1 0 332.444 3.526 20 0 EHADRM Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC000449133476 953511056 /nfs/dbraw/zinc/51/10/56/953511056.db2.gz DKESTTDVBIFWEL-AWEZNQCLSA-N -1 0 344.411 3.659 20 0 EHADRM C[C@@H]1CC(C)(C)N(C(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)c2ccccc21 ZINC001589284520 953546605 /nfs/dbraw/zinc/54/66/05/953546605.db2.gz IVMXDZRVXMKWDP-ILXRZTDVSA-N -1 0 345.439 3.575 20 0 EHADRM CCCn1ccc2ccc(NC(=O)N3CC[C@H](C)[C@H](C(=O)[O-])C3)cc21 ZINC000519715756 953550463 /nfs/dbraw/zinc/55/04/63/953550463.db2.gz XQEANQGPBGCIRC-XJKSGUPXSA-N -1 0 343.427 3.626 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)/C(=C\c2ccccc2)C(F)(F)F)c1 ZINC001594769774 953552466 /nfs/dbraw/zinc/55/24/66/953552466.db2.gz AXHRROSZUHSJMK-XNTDXEJSSA-N -1 0 349.308 3.647 20 0 EHADRM O=C([O-])c1cccc(C(=O)NCCCOc2ccc3ccccc3c2)c1 ZINC000540674974 953573917 /nfs/dbraw/zinc/57/39/17/953573917.db2.gz XWTUKVNDFRFGNC-UHFFFAOYSA-N -1 0 349.386 3.737 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccccc2Nc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000563144942 953596068 /nfs/dbraw/zinc/59/60/68/953596068.db2.gz YUQNHHOBDJFCJQ-PBHICJAKSA-N -1 0 338.407 3.613 20 0 EHADRM O=C([O-])CC1(C(=O)NCC2(Cc3ccccc3)CCCC2)CCC1 ZINC000564330661 953603184 /nfs/dbraw/zinc/60/31/84/953603184.db2.gz LVBPPJPGMZNZKJ-UHFFFAOYSA-N -1 0 329.440 3.551 20 0 EHADRM CCc1ccc([C@H](NC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)C(C)C)cc1 ZINC001593636937 953612186 /nfs/dbraw/zinc/61/21/86/953612186.db2.gz JKZOCWXMCDFBOY-ZTFGCOKTSA-N -1 0 346.471 3.698 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)Nc1cccnc1C(=O)[O-] ZINC001589294363 953632509 /nfs/dbraw/zinc/63/25/09/953632509.db2.gz INALRLXBYVCIEJ-UMVBOHGHSA-N -1 0 339.395 3.578 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001589295036 953638419 /nfs/dbraw/zinc/63/84/19/953638419.db2.gz NVHSHLTZKGSNRW-WWGRRREGSA-N -1 0 339.395 3.578 20 0 EHADRM CC[C@@H](NC(=O)N1CCC[C@@H](CC(=O)[O-])C1)C(C)(C)c1ccccc1 ZINC000575894331 953686186 /nfs/dbraw/zinc/68/61/86/953686186.db2.gz MUXXDANCJAQDDP-DOTOQJQBSA-N -1 0 346.471 3.639 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC001589303703 953717837 /nfs/dbraw/zinc/71/78/37/953717837.db2.gz KGQFQEBAIFTQJS-PWSUYJOCSA-N -1 0 344.333 3.508 20 0 EHADRM C[C@@H]1CCN(C(=O)CSc2ccc3ccccc3c2)C[C@@H]1C(=O)[O-] ZINC000581548689 953719613 /nfs/dbraw/zinc/71/96/13/953719613.db2.gz ROODTEDCGRMGJH-DYVFJYSZSA-N -1 0 343.448 3.501 20 0 EHADRM Cc1cc(C(=O)[O-])nc(Oc2ccc(OCc3ccccc3)cc2)n1 ZINC000384714105 971953546 /nfs/dbraw/zinc/95/35/46/971953546.db2.gz GLXKXHFIRBZYBG-UHFFFAOYSA-N -1 0 336.347 3.855 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1ccc(Cl)c2ncccc12 ZINC001589306955 953754605 /nfs/dbraw/zinc/75/46/05/953754605.db2.gz ZLGMTBQIMIKURI-WDEREUQCSA-N -1 0 347.802 3.605 20 0 EHADRM CSCc1ccc(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000593924520 953760225 /nfs/dbraw/zinc/76/02/25/953760225.db2.gz XGYDJTWOVHOQNY-IAGOWNOFSA-N -1 0 341.432 3.593 20 0 EHADRM CSCc1ccccc1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000594695260 953767313 /nfs/dbraw/zinc/76/73/13/953767313.db2.gz BBLHSAIVRPZBRR-UHFFFAOYSA-N -1 0 336.457 3.658 20 0 EHADRM O=C([O-])CCCNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 ZINC000620421260 953790032 /nfs/dbraw/zinc/79/00/32/953790032.db2.gz BTVDVLYQLIHUAI-UHFFFAOYSA-N -1 0 347.798 3.514 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N[C@@H]2CCCc3ccc(F)cc32)c1 ZINC001594809056 953799016 /nfs/dbraw/zinc/79/90/16/953799016.db2.gz JWODJPMPFFKZSO-MRXNPFEDSA-N -1 0 328.343 3.723 20 0 EHADRM CCn1c2ccc(Cl)cc2nc1NC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001593663253 953812162 /nfs/dbraw/zinc/81/21/62/953812162.db2.gz JOXNGFDEFJDRHV-AWEZNQCLSA-N -1 0 349.818 3.539 20 0 EHADRM C[C@@H](C1CC1)N(C(=O)c1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000630308195 953853263 /nfs/dbraw/zinc/85/32/63/953853263.db2.gz HHAYNKMKQDEXDL-AWEZNQCLSA-N -1 0 339.391 3.595 20 0 EHADRM O=C([O-])C(=O)CSc1nc2c(o1)c(Cl)cc(Cl)c2Cl ZINC001594823522 953927493 /nfs/dbraw/zinc/92/74/93/953927493.db2.gz OMLJUTURJFTLCV-UHFFFAOYSA-N -1 0 340.571 3.534 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)Cc1coc2ccc3ccccc3c12 ZINC000648337303 953984509 /nfs/dbraw/zinc/98/45/09/953984509.db2.gz YXWGQNPAVQHCOK-FQEVSTJZSA-N -1 0 337.375 3.594 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1ccc2[nH]c(C3CCCCC3)nc2c1)C1CC1 ZINC001594838221 954046841 /nfs/dbraw/zinc/04/68/41/954046841.db2.gz WBGKPKBUPANRGT-INIZCTEOSA-N -1 0 341.411 3.660 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)CC(c1ccccc1)c1ccccc1 ZINC000653315174 954140155 /nfs/dbraw/zinc/14/01/55/954140155.db2.gz VYLYAUADEFHQAQ-DNVCBOLYSA-N -1 0 337.419 3.673 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)[C@H]2CCCC[C@@H]2C2CC2)c2ccccc21 ZINC000653327340 954154153 /nfs/dbraw/zinc/15/41/53/954154153.db2.gz WEXZCWHFXZGOQW-RNJTYBCJSA-N -1 0 327.424 3.632 20 0 EHADRM O=C([O-])[C@]1(C(=O)N[C@@H]2CC=C(c3ccc(F)cc3)CC2)CC=CCC1 ZINC001594853934 954209076 /nfs/dbraw/zinc/20/90/76/954209076.db2.gz AJXANZYBPXTZHW-YLJYHZDGSA-N -1 0 343.398 3.689 20 0 EHADRM O=C([O-])CN(C(=O)c1[nH]c2ccc(Cl)cc2c1Cl)C1CCC1 ZINC000655588946 954228334 /nfs/dbraw/zinc/22/83/34/954228334.db2.gz RWXLXUGOBZKCFN-UHFFFAOYSA-N -1 0 341.194 3.554 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)c2ccc(C(=O)[O-])cn2)c(F)c1 ZINC000655596480 954233469 /nfs/dbraw/zinc/23/34/69/954233469.db2.gz HKQJWUCMALBYSE-UHFFFAOYSA-N -1 0 346.358 3.596 20 0 EHADRM C[C@@H]1CN(C(=O)C2=C(c3ccccc3)CCCC2)CC[C@H]1C(=O)[O-] ZINC001589374702 954240876 /nfs/dbraw/zinc/24/08/76/954240876.db2.gz LNLKWTOBCDQZHD-GDBMZVCRSA-N -1 0 327.424 3.583 20 0 EHADRM O=C([O-])C1(C(=O)NCCCCCc2ccc(F)cc2)CCCCC1 ZINC001594858830 954258863 /nfs/dbraw/zinc/25/88/63/954258863.db2.gz PKSJBLRTAITGSO-UHFFFAOYSA-N -1 0 335.419 3.690 20 0 EHADRM CC[C@H](C)[C@@H]1CCCCN1C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655905638 954287342 /nfs/dbraw/zinc/28/73/42/954287342.db2.gz YWCZRDDMJZNAHX-GVRJEKJASA-N -1 0 338.492 3.732 20 0 EHADRM O=C([O-])CC1(C(=O)N2CCc3ccc(Cl)c(Cl)c3C2)CCC1 ZINC000656851750 954307956 /nfs/dbraw/zinc/30/79/56/954307956.db2.gz QEMZLIHLTJHZRB-UHFFFAOYSA-N -1 0 342.222 3.523 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000656851778 954307999 /nfs/dbraw/zinc/30/79/99/954307999.db2.gz QWKNMNZONWYAHI-UHFFFAOYSA-N -1 0 330.211 3.523 20 0 EHADRM CC(C)C[C@H](CNC(=O)N(C)C[C@H](C)c1ccccc1)CC(=O)[O-] ZINC000659418111 954342492 /nfs/dbraw/zinc/34/24/92/954342492.db2.gz YOFNURZPVNABOR-HOTGVXAUSA-N -1 0 334.460 3.569 20 0 EHADRM O=C([O-])C1(CNc2nc3cccc(OC(F)F)c3s2)CCC1 ZINC000662897395 954399949 /nfs/dbraw/zinc/39/99/49/954399949.db2.gz GCAQRWZFCLJZEH-UHFFFAOYSA-N -1 0 328.340 3.565 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(c2ncnc3sc4c(c32)CCCC4)C1 ZINC000662886980 954400410 /nfs/dbraw/zinc/40/04/10/954400410.db2.gz QPLMVOMBBSQUOM-LBPRGKRZSA-N -1 0 345.468 3.651 20 0 EHADRM Cc1csc(-c2ccc(NC(=O)[C@@]3(C(=O)[O-])CC3(C)C)cc2)n1 ZINC000663035557 954410024 /nfs/dbraw/zinc/41/00/24/954410024.db2.gz XSCRNYAUMLVBIL-QGZVFWFLSA-N -1 0 330.409 3.558 20 0 EHADRM Cc1ccc(-c2csc(NC(=O)C3(C(=O)[O-])CCC3)n2)c(C)c1 ZINC000663091927 954473290 /nfs/dbraw/zinc/47/32/90/954473290.db2.gz LRGPRIIVVGVNSJ-UHFFFAOYSA-N -1 0 330.409 3.620 20 0 EHADRM CN(Cc1ccc2ccccc2c1)C(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001593761032 954493347 /nfs/dbraw/zinc/49/33/47/954493347.db2.gz LLMROVJWUWNVRF-SFHVURJKSA-N -1 0 325.408 3.689 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc(N3CCCC3)c2)CCCCCC1 ZINC000663112799 954504272 /nfs/dbraw/zinc/50/42/72/954504272.db2.gz AVVWVJXGTPJNIM-UHFFFAOYSA-N -1 0 330.428 3.651 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000666523372 954549578 /nfs/dbraw/zinc/54/95/78/954549578.db2.gz YFGBHCGTVFYEIO-HOTGVXAUSA-N -1 0 346.471 3.639 20 0 EHADRM COCCN(CC(=O)[O-])Cc1c(Cl)cccc1Oc1ccccc1 ZINC000666578867 954563618 /nfs/dbraw/zinc/56/36/18/954563618.db2.gz PRLYSKVOXMRDOH-UHFFFAOYSA-N -1 0 349.814 3.665 20 0 EHADRM COc1c(C)cc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)cc1C ZINC000669434796 954569683 /nfs/dbraw/zinc/56/96/83/954569683.db2.gz YPRJSXVAWLPHKM-INIZCTEOSA-N -1 0 339.391 3.531 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2cc(Cl)ccc2F)CCCCC1 ZINC000385968514 972024939 /nfs/dbraw/zinc/02/49/39/972024939.db2.gz HYRHSBGUUUZFIX-UHFFFAOYSA-N -1 0 328.771 3.778 20 0 EHADRM CCC(C)(C)C1CCC(NC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)CC1 ZINC001589448053 954784152 /nfs/dbraw/zinc/78/41/52/954784152.db2.gz WOCUPCLLHATTJG-PRLABOORSA-N -1 0 338.492 3.734 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)CCCCc2ccc(Cl)c(Cl)c2)C1 ZINC001594919288 954796064 /nfs/dbraw/zinc/79/60/64/954796064.db2.gz ONEODBIFJBUGDI-LBPRGKRZSA-N -1 0 344.238 3.639 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)Nc1cccc(C(F)F)c1)CC2 ZINC000386337976 972046551 /nfs/dbraw/zinc/04/65/51/972046551.db2.gz RERQEYJHRXCRFN-UHFFFAOYSA-N -1 0 346.333 3.913 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C\C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001589463672 954877769 /nfs/dbraw/zinc/87/77/69/954877769.db2.gz ITSXNJLGUJIJHD-LJTDUEICSA-N -1 0 340.379 3.609 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)/C(F)=C\C2CCCCC2)Cc2ccccc21 ZINC001594941372 954897238 /nfs/dbraw/zinc/89/72/38/954897238.db2.gz IYLQYVBOOGVLJL-KFXAOSDLSA-N -1 0 331.387 3.631 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)N2CCCc3cc(Cl)ccc32)co1 ZINC001594965646 955050471 /nfs/dbraw/zinc/05/04/71/955050471.db2.gz FUZNERGSRGWCBG-XQRVVYSFSA-N -1 0 331.755 3.624 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)Nc2ccc(-c3ccccn3)cc2)co1 ZINC001594969444 955091665 /nfs/dbraw/zinc/09/16/65/955091665.db2.gz YQJRFZXMQGRADZ-HJWRWDBZSA-N -1 0 334.331 3.692 20 0 EHADRM CC[C@@H](CNC(=O)Nc1cccc(C(=O)[O-])c1)Oc1cccc(F)c1 ZINC001589544788 955192561 /nfs/dbraw/zinc/19/25/61/955192561.db2.gz AGEHXOJJWRURST-HNNXBMFYSA-N -1 0 346.358 3.503 20 0 EHADRM O=C([O-])CN(C(=O)/C=C/c1cc(Cl)cc(Cl)c1)C1CCCC1 ZINC000386852338 972085382 /nfs/dbraw/zinc/08/53/82/972085382.db2.gz YFZHHIDBFGVSPV-AATRIKPKSA-N -1 0 342.222 3.862 20 0 EHADRM O=C([O-])CC1(NC(=O)/C=C/c2nc3ccccc3s2)CCCCC1 ZINC000767057564 955317599 /nfs/dbraw/zinc/31/75/99/955317599.db2.gz DJKKTRFFFUXZEZ-CMDGGOBGSA-N -1 0 344.436 3.603 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC001589001609 955331467 /nfs/dbraw/zinc/33/14/67/955331467.db2.gz PCYKTSGATQBVLV-NSHDSACASA-N -1 0 335.444 3.580 20 0 EHADRM O=C([O-])CCCC(=O)NCC1(c2cccc(Cl)c2F)CCCC1 ZINC000790097181 955345658 /nfs/dbraw/zinc/34/56/58/955345658.db2.gz QELYJFCHDXEJEX-UHFFFAOYSA-N -1 0 341.810 3.662 20 0 EHADRM Cc1sc(-n2cccc2)c(C(=O)NC[C@H](CC(C)C)C(=O)[O-])c1C ZINC001594510728 955389592 /nfs/dbraw/zinc/38/95/92/955389592.db2.gz VHWJIGIOWNTASS-AWEZNQCLSA-N -1 0 348.468 3.632 20 0 EHADRM C[C@H](CCC(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC001589014357 955419220 /nfs/dbraw/zinc/41/92/20/955419220.db2.gz PUYSEIQTJNLKGQ-ACJLOTCBSA-N -1 0 329.371 3.652 20 0 EHADRM CC1(C)CCC[C@H]1CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000387016227 972097320 /nfs/dbraw/zinc/09/73/20/972097320.db2.gz KASPKVLBJVAJPL-VIFPVBQESA-N -1 0 326.343 3.611 20 0 EHADRM Cc1nc(Cl)cc(N2CCC(c3ccccc3C(=O)[O-])CC2)n1 ZINC000841507623 955589108 /nfs/dbraw/zinc/58/91/08/955589108.db2.gz OYBKNPRTMSXCFK-UHFFFAOYSA-N -1 0 331.803 3.521 20 0 EHADRM CC(C)C[C@H](NC(=O)/C=C\c1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC001603048066 972112688 /nfs/dbraw/zinc/11/26/88/972112688.db2.gz BXWQHTVEZPCMKR-LENZSSGSSA-N -1 0 345.439 3.637 20 0 EHADRM C[C@H](CNC(=O)N[C@@H](CC1CCCCC1)c1ccccc1)C(=O)[O-] ZINC001589050478 955655880 /nfs/dbraw/zinc/65/58/80/955655880.db2.gz CJBDLCJYPGBXEZ-PBHICJAKSA-N -1 0 332.444 3.718 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)Nc2ncccc2C(=O)[O-])cc1 ZINC001603054023 972117971 /nfs/dbraw/zinc/11/79/71/972117971.db2.gz HOTGXYBOIAWGHJ-UHFFFAOYSA-N -1 0 326.396 3.550 20 0 EHADRM CC(C)[C@H](CNC(=O)Nc1ccc(N2CCCCCC2)cc1)C(=O)[O-] ZINC000846799653 955733957 /nfs/dbraw/zinc/73/39/57/955733957.db2.gz VMSFSCLNCCGLIP-KRWDZBQOSA-N -1 0 347.459 3.545 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000852950070 955871124 /nfs/dbraw/zinc/87/11/24/955871124.db2.gz GHDQEIAQVCZSAR-AWEZNQCLSA-N -1 0 338.835 3.626 20 0 EHADRM C[C@H](NC(=O)C1(C(=O)[O-])CCCCC1)c1c(F)cccc1Cl ZINC001589089973 955925725 /nfs/dbraw/zinc/92/57/25/955925725.db2.gz MQHQMXUMUALMPO-JTQLQIEISA-N -1 0 327.783 3.691 20 0 EHADRM COc1ccccc1C[C@H](C)N(C)c1nc(Cl)c(C(=O)[O-])s1 ZINC000387849311 972144702 /nfs/dbraw/zinc/14/47/02/972144702.db2.gz CZFUTERIOGZSJE-VIFPVBQESA-N -1 0 340.832 3.571 20 0 EHADRM CC(C)(CCNC(=O)CCc1ccc(F)c2ccccc12)C(=O)[O-] ZINC000864146586 955967320 /nfs/dbraw/zinc/96/73/20/955967320.db2.gz WCCIPOWXYRSVNA-UHFFFAOYSA-N -1 0 331.387 3.529 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N2CCC(c3ccc(F)cc3)CC2)o1 ZINC000864218586 955979814 /nfs/dbraw/zinc/97/98/14/955979814.db2.gz XNAOWQPQKKTESO-VURMDHGXSA-N -1 0 343.354 3.536 20 0 EHADRM C[C@@H](NC(=O)NC1(c2ccccc2)CCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589103887 956025443 /nfs/dbraw/zinc/02/54/43/956025443.db2.gz UNHQRUSOEBLSNA-VNQPRFMTSA-N -1 0 344.455 3.500 20 0 EHADRM C[C@@H](NC(=O)c1ccc(OC(C)(C)C)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589117924 956106909 /nfs/dbraw/zinc/10/69/09/956106909.db2.gz SBCPWARHUNTOSP-UHOFOFEASA-N -1 0 347.455 3.729 20 0 EHADRM C[C@](NCc1cc2c(ccnc2Cl)o1)(C(=O)[O-])c1ccccc1 ZINC001589129271 956187499 /nfs/dbraw/zinc/18/74/99/956187499.db2.gz SGJCUJCXVKJNEI-QGZVFWFLSA-N -1 0 330.771 3.571 20 0 EHADRM CC(C)c1ccc(C[C@H]2CCN(C(=O)[C@@H](C(=O)[O-])C(C)C)C2)cc1 ZINC001603100469 972176154 /nfs/dbraw/zinc/17/61/54/972176154.db2.gz KOBQIWXYRJPGIS-AEFFLSMTSA-N -1 0 331.456 3.558 20 0 EHADRM CC(C)c1cnc(NC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)s1 ZINC001603105763 972178612 /nfs/dbraw/zinc/17/86/12/972178612.db2.gz LASWBXAVYRNNOX-STQMWFEESA-N -1 0 345.424 3.701 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)c2c(Cl)cccc2C(F)(F)F)CC1 ZINC000901705576 956430161 /nfs/dbraw/zinc/43/01/61/956430161.db2.gz RTZSUCLMBTZLTJ-UHFFFAOYSA-N -1 0 349.736 3.686 20 0 EHADRM C[C@H](Oc1cccc(Cl)c1)C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001589167471 956432919 /nfs/dbraw/zinc/43/29/19/956432919.db2.gz NTGDZNJWDPUEBW-NSHDSACASA-N -1 0 334.755 3.549 20 0 EHADRM CC(C)c1nc([C@@H]2CCCCN2Cc2ccc(C(=O)[O-])s2)no1 ZINC001603107276 972185490 /nfs/dbraw/zinc/18/54/90/972185490.db2.gz WVCYLFBGMITCEM-LBPRGKRZSA-N -1 0 335.429 3.680 20 0 EHADRM C[C@@H](c1ccc(C(=O)N2CCC(C)(C(=O)[O-])CC2)cc1)C(F)(F)F ZINC001589175116 956491398 /nfs/dbraw/zinc/49/13/98/956491398.db2.gz ZZMXBPZHRLHQCJ-NSHDSACASA-N -1 0 343.345 3.679 20 0 EHADRM CCCCN(C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1)[C@@H](C)c1ccccc1 ZINC000901851750 956501542 /nfs/dbraw/zinc/50/15/42/956501542.db2.gz JLWBJZMOWKGBNM-SZMVWBNQSA-N -1 0 347.455 3.646 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)o1 ZINC001594670231 956613675 /nfs/dbraw/zinc/61/36/75/956613675.db2.gz PEGUJOWUJRZSPH-XLMABTLZSA-N -1 0 339.391 3.519 20 0 EHADRM C[C@@]1(Cc2ccccc2)CCCN1C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC000902033582 956623728 /nfs/dbraw/zinc/62/37/28/956623728.db2.gz GADWMLTWKUPPJQ-GWQNQTGSSA-N -1 0 339.391 3.615 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cn1 ZINC000388952609 972200703 /nfs/dbraw/zinc/20/07/03/972200703.db2.gz ZKWVEBQEDAHIOD-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM CC1(C)CN(C(=O)Cc2ccccc2C(=O)[O-])[C@@H]1c1cccs1 ZINC000902095637 956649884 /nfs/dbraw/zinc/64/98/84/956649884.db2.gz CNJKRAGLBFASMK-MRXNPFEDSA-N -1 0 329.421 3.599 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC001589205277 956660708 /nfs/dbraw/zinc/66/07/08/956660708.db2.gz TZKDZONAYJZDRK-UKRRQHHQSA-N -1 0 347.430 3.715 20 0 EHADRM O=C([O-])C1(NC(=O)C[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCCCC1 ZINC001594677644 956671688 /nfs/dbraw/zinc/67/16/88/956671688.db2.gz SWHFTIJFELOZEA-VXGBXAGGSA-N -1 0 335.366 3.649 20 0 EHADRM CC(C)c1cc(Cl)ccc1NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC000902177049 956677342 /nfs/dbraw/zinc/67/73/42/956677342.db2.gz HXNIIDNAFRBREY-DGCLKSJQSA-N -1 0 339.819 3.672 20 0 EHADRM C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)CC[C@H]1C(=O)[O-] ZINC000902182041 956679249 /nfs/dbraw/zinc/67/92/49/956679249.db2.gz WKTXNKGNYKXBRY-VDHUWJSZSA-N -1 0 329.440 3.530 20 0 EHADRM CC1(C)C=Cc2cccc(NC(=O)[C@H](C(=O)[O-])C3CCCC3)c2O1 ZINC001589210081 956681674 /nfs/dbraw/zinc/68/16/74/956681674.db2.gz VBNFSKUBODWGLJ-OAHLLOKOSA-N -1 0 329.396 3.700 20 0 EHADRM CC1(C)C[C@H](NC(=O)C2(C(=O)[O-])CCCCC2)c2cc(F)ccc2O1 ZINC001589210970 956686820 /nfs/dbraw/zinc/68/68/20/956686820.db2.gz BCDRBUBFDSBPGD-AWEZNQCLSA-N -1 0 349.402 3.579 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC001589212834 956707860 /nfs/dbraw/zinc/70/78/60/956707860.db2.gz MWOHDOUTJRFBKE-AVRDEDQJSA-N -1 0 349.430 3.662 20 0 EHADRM CC1(C)CC(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])CC(C)(C)C1 ZINC001589213425 956715710 /nfs/dbraw/zinc/71/57/10/956715710.db2.gz GBKMCVGBSPHGRK-MRXNPFEDSA-N -1 0 331.456 3.651 20 0 EHADRM O=C([O-])c1cccnc1NC(=O)CCc1ccc(Cl)c(Cl)c1 ZINC001594687570 956718782 /nfs/dbraw/zinc/71/87/82/956718782.db2.gz FPZOEXRYEBBPHR-UHFFFAOYSA-N -1 0 339.178 3.658 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)[C@@H](c2ccccc2)C1 ZINC001589224713 956784539 /nfs/dbraw/zinc/78/45/39/956784539.db2.gz NYLPLLABJGKAKN-YYIAUSFCSA-N -1 0 344.455 3.511 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)Nc2ccnc(C(=O)[O-])c2)c2ccccc21 ZINC001589225428 956788335 /nfs/dbraw/zinc/78/83/35/956788335.db2.gz XQQBNIHYJAFLMV-OAHLLOKOSA-N -1 0 339.395 3.714 20 0 EHADRM CC1(C)CCCc2sc(NC(=O)[C@]3(C(=O)[O-])CC=CCC3)nc21 ZINC001589226219 956798347 /nfs/dbraw/zinc/79/83/47/956798347.db2.gz FKSROYLVAFFMTC-KRWDZBQOSA-N -1 0 334.441 3.507 20 0 EHADRM Cc1cc(C)c(C(=O)N2C[C@@H](CCC(=O)[O-])Cc3ccccc32)o1 ZINC000902826730 956817274 /nfs/dbraw/zinc/81/72/74/956817274.db2.gz VBAXOLPUMRBJHI-AWEZNQCLSA-N -1 0 327.380 3.580 20 0 EHADRM CCO[C@H](CC(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21)C(C)C ZINC000902827205 956818089 /nfs/dbraw/zinc/81/80/89/956818089.db2.gz XQROIKFKKONQBP-MAUKXSAKSA-N -1 0 347.455 3.508 20 0 EHADRM CC[C@@H](CNC(=O)c1sc2cc(C)ccc2c1Cl)C(=O)[O-] ZINC000902849878 956827293 /nfs/dbraw/zinc/82/72/93/956827293.db2.gz AMHKAOHASAQIHU-VIFPVBQESA-N -1 0 325.817 3.704 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc(C2CCCCC2)cc1 ZINC001594706506 956842143 /nfs/dbraw/zinc/84/21/43/956842143.db2.gz GWZRDWXVROMWNY-MSOLQXFVSA-N -1 0 329.440 3.646 20 0 EHADRM CC(C)CCC[C@@H](C)NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000013075684 956928005 /nfs/dbraw/zinc/92/80/05/956928005.db2.gz RUYGPKXJUIEJHG-LLVKDONJSA-N -1 0 347.864 3.531 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)COc1cccc(C(=O)[O-])c1 ZINC000013080066 956932405 /nfs/dbraw/zinc/93/24/05/956932405.db2.gz NFBYLENLIUIJPQ-UHFFFAOYSA-N -1 0 327.380 3.700 20 0 EHADRM CC(C)N(C(=O)COc1cc(Cl)ccc1C(=O)[O-])c1ccccc1 ZINC000013085159 956935695 /nfs/dbraw/zinc/93/56/95/956935695.db2.gz QAVZSQBZAGDUFY-UHFFFAOYSA-N -1 0 347.798 3.859 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)COc2cccc(Cl)c2)c1 ZINC000013168004 956949642 /nfs/dbraw/zinc/94/96/42/956949642.db2.gz ZZZPRMHIBDMRLB-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM Cc1onc(-c2ccccc2)c1C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000013169947 956953734 /nfs/dbraw/zinc/95/37/34/956953734.db2.gz HFXZJZPWHWYJMC-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM O=C([O-])c1cc(Br)ccc1NC(=O)CC1CCCC1 ZINC000013177720 956959783 /nfs/dbraw/zinc/95/97/83/956959783.db2.gz AKEZPXBLXLTTPL-UHFFFAOYSA-N -1 0 326.190 3.666 20 0 EHADRM COCCn1c2ccccc2nc1SCc1ccc(C(=O)[O-])cc1 ZINC000013236851 956987293 /nfs/dbraw/zinc/98/72/93/956987293.db2.gz ZZERJKOEVURKRF-UHFFFAOYSA-N -1 0 342.420 3.673 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2cccc(F)c2Cl)c2ccccc21 ZINC001594725565 956994933 /nfs/dbraw/zinc/99/49/33/956994933.db2.gz AVALZUOOLSUJEX-TZMCWYRMSA-N -1 0 333.746 3.522 20 0 EHADRM Cc1ccc(OS(=O)(=O)c2c(C)c(C)cc(C)c2C)c(C(=O)[O-])c1 ZINC000013268192 957005041 /nfs/dbraw/zinc/00/50/41/957005041.db2.gz VJAVAFAXCVQOBB-UHFFFAOYSA-N -1 0 348.420 3.695 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)C[C@H](c2ccc(O)cc2)C2CC2)c1 ZINC000909331629 957012947 /nfs/dbraw/zinc/01/29/47/957012947.db2.gz DZKVGOGDPYDBOG-SFHVURJKSA-N -1 0 339.391 3.542 20 0 EHADRM C[C@H](C(=O)N1CCCC[C@H]1CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000909496691 957024869 /nfs/dbraw/zinc/02/48/69/957024869.db2.gz IQQKJBWTZQVXLT-FZMZJTMJSA-N -1 0 343.345 3.665 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc2c(s1)CCCC2)c1cccs1 ZINC000013387986 957040098 /nfs/dbraw/zinc/04/00/98/957040098.db2.gz HUUSRCYIMATYOS-NSHDSACASA-N -1 0 335.450 3.634 20 0 EHADRM O=C([O-])C[C@H](NC(=O)/C=C/c1ccccc1Cl)c1cccs1 ZINC000013389305 957041094 /nfs/dbraw/zinc/04/10/94/957041094.db2.gz SBEFCSOSYLVGEU-GWJCSSMESA-N -1 0 335.812 3.747 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)c1ccc(OC(F)F)cc1 ZINC000013390065 957042073 /nfs/dbraw/zinc/04/20/73/957042073.db2.gz IOPVCHJBODRGMA-UHFFFAOYSA-N -1 0 347.317 3.579 20 0 EHADRM CCCc1c(NC(=O)CCCCC(=O)[O-])cnn1-c1ccc(C)cc1 ZINC000910654656 957049695 /nfs/dbraw/zinc/04/96/95/957049695.db2.gz CGRARQLIUBTYFO-UHFFFAOYSA-N -1 0 343.427 3.717 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)c1cnc2ccccc2n1 ZINC000013426695 957066817 /nfs/dbraw/zinc/06/68/17/957066817.db2.gz VCKJXVHHZWEQNE-UHFFFAOYSA-N -1 0 343.342 3.734 20 0 EHADRM Cc1ccc2c(CC(=O)N3CCc4cc(C(=O)[O-])ccc43)coc2c1 ZINC000013447845 957086886 /nfs/dbraw/zinc/08/68/86/957086886.db2.gz DCJOWZCLVGQYSR-UHFFFAOYSA-N -1 0 335.359 3.571 20 0 EHADRM Cc1ccc(SCCC(=O)N2CCc3cc(C(=O)[O-])ccc32)cc1 ZINC000013449353 957087655 /nfs/dbraw/zinc/08/76/55/957087655.db2.gz OKHHRIBMMSMJKW-UHFFFAOYSA-N -1 0 341.432 3.765 20 0 EHADRM CC(C)(C)C1=N/C(=C\c2ccc(-c3ccc(C(=O)[O-])cc3)o2)C(=O)O1 ZINC000014177631 957097041 /nfs/dbraw/zinc/09/70/41/957097041.db2.gz JXMUCFLGYUNFBW-UVTDQMKNSA-N -1 0 339.347 3.987 20 0 EHADRM Cc1sc(NC(=O)Cc2c[nH]c3ccccc23)c(C(=O)[O-])c1C ZINC000020332724 957135694 /nfs/dbraw/zinc/13/56/94/957135694.db2.gz KNXKEVOLJLHGQQ-UHFFFAOYSA-N -1 0 328.393 3.726 20 0 EHADRM Cc1ccc2c(c1)S[C@H](C(=O)Nc1cccc(CCC(=O)[O-])c1)C2 ZINC001118170987 957159769 /nfs/dbraw/zinc/15/97/69/957159769.db2.gz WSIUFZANYRWJKU-KRWDZBQOSA-N -1 0 341.432 3.668 20 0 EHADRM O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)c1cc(Cl)ccn1 ZINC000390169668 972267725 /nfs/dbraw/zinc/26/77/25/972267725.db2.gz OCAZOZNSISTFGE-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM CN(Cc1ccccc1Br)[C@H](C(=O)[O-])c1ccccc1 ZINC000048892596 957469245 /nfs/dbraw/zinc/46/92/45/957469245.db2.gz XQOGZKPVNGFLQO-HNNXBMFYSA-N -1 0 334.213 3.707 20 0 EHADRM O=C([O-])[C@H](NC(=O)Cc1ccc2ccccc2c1)C1CCCCC1 ZINC000059948282 957568244 /nfs/dbraw/zinc/56/82/44/957568244.db2.gz YOCLRJFEPLPVRB-LJQANCHMSA-N -1 0 325.408 3.532 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])cc1 ZINC000059991528 957570287 /nfs/dbraw/zinc/57/02/87/957570287.db2.gz YDHHDQCZOAGLLI-KRWDZBQOSA-N -1 0 343.398 3.549 20 0 EHADRM Cc1cc(C(=O)Nc2sc3c(c2C(=O)[O-])C[C@H](C)O[C@@H]3C)co1 ZINC001594281387 957748163 /nfs/dbraw/zinc/74/81/63/957748163.db2.gz LAJYBWLXICBGRP-DTWKUNHWSA-N -1 0 335.381 3.622 20 0 EHADRM Cc1cc(C(=O)Nc2scc(-c3ccsc3)c2C(=O)[O-])no1 ZINC001594281574 957751879 /nfs/dbraw/zinc/75/18/79/957751879.db2.gz VMVXLCBWHHPFTK-UHFFFAOYSA-N -1 0 334.378 3.724 20 0 EHADRM CCc1nc2cc(NC(=O)CC3(CC(=O)[O-])CCCC3)ccc2o1 ZINC000077589218 957751990 /nfs/dbraw/zinc/75/19/90/957751990.db2.gz PEKLOZAAGKPAHD-UHFFFAOYSA-N -1 0 330.384 3.754 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2ncc(Oc3ccccc3)cn2)c1 ZINC001594288964 957806206 /nfs/dbraw/zinc/80/62/06/957806206.db2.gz MFDAAWFAKWLOLI-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM Cc1cc(C(F)(F)F)cc(C)c1NC(=O)c1ccc(C(=O)[O-])nc1 ZINC001594290580 957829100 /nfs/dbraw/zinc/82/91/00/957829100.db2.gz ZCGUTCVHJDAKHZ-UHFFFAOYSA-N -1 0 338.285 3.668 20 0 EHADRM COc1ccc(C(=O)[O-])cc1COc1ccccc1C(F)(F)F ZINC000390721358 972300693 /nfs/dbraw/zinc/30/06/93/972300693.db2.gz ZJCSYMKTAPIKNA-UHFFFAOYSA-N -1 0 326.270 3.991 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)c1cnc(Cl)c2ccccc12 ZINC001574815411 957887589 /nfs/dbraw/zinc/88/75/89/957887589.db2.gz UFIGPSCLDINYFD-UHFFFAOYSA-N -1 0 340.766 3.516 20 0 EHADRM Cc1cc(F)c(CNC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c(F)c1 ZINC001594311187 958022774 /nfs/dbraw/zinc/02/27/74/958022774.db2.gz ZCSPLEYGSPOGMD-UHFFFAOYSA-N -1 0 334.322 3.602 20 0 EHADRM C[C@H](C(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccc(F)cc1F ZINC001344360724 958042557 /nfs/dbraw/zinc/04/25/57/958042557.db2.gz XJGPOCZZFZQOEI-NSHDSACASA-N -1 0 333.334 3.724 20 0 EHADRM Cc1cc(NC(=O)N2C[C@@H](C3CC3)C[C@H]2C2CC2)ccc1C(=O)[O-] ZINC001594319764 958115976 /nfs/dbraw/zinc/11/59/76/958115976.db2.gz PXYIOJJTTKVTLE-YOEHRIQHSA-N -1 0 328.412 3.736 20 0 EHADRM Cc1cc(NC(=O)N2CCc3cc(F)c(F)cc3C2)ccc1C(=O)[O-] ZINC001594320229 958122243 /nfs/dbraw/zinc/12/22/43/958122243.db2.gz ZHJQDDIJVKIYQE-UHFFFAOYSA-N -1 0 346.333 3.562 20 0 EHADRM Cc1cc(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)c(F)cc1F ZINC000391178511 972322107 /nfs/dbraw/zinc/32/21/07/972322107.db2.gz HSUWLMBAWGNDPN-UHFFFAOYSA-N -1 0 327.233 3.502 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(F)c(Cl)c2)c2ccccc21 ZINC000391227034 972325026 /nfs/dbraw/zinc/32/50/26/972325026.db2.gz NBTKYJRRGZOYON-GFCCVEGCSA-N -1 0 333.746 3.698 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccnc3cc(Cl)ccc32)C1 ZINC001355041806 958170769 /nfs/dbraw/zinc/17/07/69/958170769.db2.gz DRGWMPBPHUNOSW-SFHVURJKSA-N -1 0 346.814 3.605 20 0 EHADRM COCC[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC001517465214 958207006 /nfs/dbraw/zinc/20/70/06/958207006.db2.gz CHWCFHRBDNVDKQ-AWEZNQCLSA-N -1 0 339.391 3.555 20 0 EHADRM Cc1ccc(-c2cncc(F)c2)cc1NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001594335457 958259879 /nfs/dbraw/zinc/25/98/79/958259879.db2.gz BNVVCPZTDCRQIB-KGLIPLIRSA-N -1 0 342.370 3.636 20 0 EHADRM Cc1ccc([C@H](C)CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)cc1 ZINC001594350290 958345224 /nfs/dbraw/zinc/34/52/24/958345224.db2.gz YCGRRUUTDIEAJU-CVEARBPZSA-N -1 0 334.460 3.535 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)NC[C@H](CC(C)C)C(=O)[O-])C2)cc1 ZINC001594353481 958384820 /nfs/dbraw/zinc/38/48/20/958384820.db2.gz BUIVPJAVAZXQEU-RYQLBKOJSA-N -1 0 346.471 3.629 20 0 EHADRM Cc1cc(C(=O)[O-])c(NC(=O)c2cc(Cl)c(Cl)n2C)s1 ZINC000110775817 958397753 /nfs/dbraw/zinc/39/77/53/958397753.db2.gz BVXMBTZXNOCAKY-UHFFFAOYSA-N -1 0 333.196 3.652 20 0 EHADRM C[C@H](NC(=O)N[C@H]1CCC[C@@H]1C(C)(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603227907 972351150 /nfs/dbraw/zinc/35/11/50/972351150.db2.gz MDFWAXCFOIYONK-LXFSFDBISA-N -1 0 338.492 3.636 20 0 EHADRM Cc1ccc(F)c2c1CCCN2CCOc1ccccc1C(=O)[O-] ZINC001594365063 958484992 /nfs/dbraw/zinc/48/49/92/958484992.db2.gz KPOJOBQLUFCARK-UHFFFAOYSA-N -1 0 329.371 3.664 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)COc2ccc3c(c2)CCC3)s1 ZINC000391654414 972354251 /nfs/dbraw/zinc/35/42/51/972354251.db2.gz YUZAWYWURUGYQR-UHFFFAOYSA-N -1 0 345.420 3.515 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cccc(C2CCC2)c1)c1ccc(F)cc1 ZINC001605728842 972355898 /nfs/dbraw/zinc/35/58/98/972355898.db2.gz CBSAFDSIYTULPN-QGZVFWFLSA-N -1 0 327.355 3.649 20 0 EHADRM C[C@H](NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(F)c2ccccc21 ZINC001603232531 972356511 /nfs/dbraw/zinc/35/65/11/972356511.db2.gz LOTMAWHSDVWBPJ-XQQFMLRXSA-N -1 0 344.386 3.592 20 0 EHADRM Cc1ccc(Oc2ccc(C(=O)Nc3cc(C(=O)[O-])ccn3)cc2)nc1 ZINC001594376037 958589822 /nfs/dbraw/zinc/58/98/22/958589822.db2.gz TXTRIKFWKVVJNQ-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM COc1cccc(-c2nc(CSCCC(=O)[O-])cs2)c1OC ZINC001594119993 958590321 /nfs/dbraw/zinc/59/03/21/958590321.db2.gz MSDRGIUYKSJTBB-UHFFFAOYSA-N -1 0 339.438 3.535 20 0 EHADRM C[C@@H](C(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-])c1c(Cl)cccc1Cl ZINC001573362424 958598810 /nfs/dbraw/zinc/59/88/10/958598810.db2.gz AWXDVLLWQBRLFY-KBVBSXBZSA-N -1 0 330.211 3.561 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)Nc1ccccc1OCc1cccc(Cl)c1 ZINC001573372748 958642448 /nfs/dbraw/zinc/64/24/48/958642448.db2.gz ZFZLIISNEXECRM-NSHDSACASA-N -1 0 333.771 3.578 20 0 EHADRM Cc1ccc2c(CC(=O)N(CC(=O)[O-])CC(C)(C)C)coc2c1C ZINC001594382150 958642334 /nfs/dbraw/zinc/64/23/34/958642334.db2.gz WGCCWQWZSGGVMD-UHFFFAOYSA-N -1 0 331.412 3.551 20 0 EHADRM Cc1[nH]c(-c2cccc(C)c2)nc1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001594386229 958673245 /nfs/dbraw/zinc/67/32/45/958673245.db2.gz SMYGZHACQIYKOE-UHFFFAOYSA-N -1 0 349.390 3.573 20 0 EHADRM CC[C@@H](C)CN(C)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000132496175 958785120 /nfs/dbraw/zinc/78/51/20/958785120.db2.gz FYJVRBWTQKFPRE-SECBINFHSA-N -1 0 343.221 3.657 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC001573425549 958787688 /nfs/dbraw/zinc/78/76/88/958787688.db2.gz SMNODRUPEBHOAM-IAGOWNOFSA-N -1 0 331.456 3.605 20 0 EHADRM Cc1cccc([C@@H](NCc2ccsc2Br)C(=O)[O-])c1 ZINC001594398200 958796341 /nfs/dbraw/zinc/79/63/41/958796341.db2.gz TYQLQPUKSUIUOY-GFCCVEGCSA-N -1 0 340.242 3.735 20 0 EHADRM Cc1cccc(Cl)c1C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001594403645 958872420 /nfs/dbraw/zinc/87/24/20/958872420.db2.gz JXQQKRCULMNUBW-HIFRSBDPSA-N -1 0 329.783 3.691 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)c1 ZINC000136699859 958905213 /nfs/dbraw/zinc/90/52/13/958905213.db2.gz QQGXBDXMMFECJZ-GFCCVEGCSA-N -1 0 329.849 3.681 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)c2cc3cc(F)ccc3o2)c2ccccc21 ZINC001605743694 972388792 /nfs/dbraw/zinc/38/87/92/972388792.db2.gz NRFZAIGAZNCRHL-CABCVRRESA-N -1 0 339.322 3.615 20 0 EHADRM Cc1cccc2oc(C(=O)NC[C@](C)(C(=O)[O-])c3ccccc3)cc21 ZINC001594413247 958965730 /nfs/dbraw/zinc/96/57/30/958965730.db2.gz ACQXKRJZMGIYHU-FQEVSTJZSA-N -1 0 337.375 3.514 20 0 EHADRM C[C@H](C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC001588549136 959007907 /nfs/dbraw/zinc/00/79/07/959007907.db2.gz SFZSQZLHPPTJPZ-MDZLAQPJSA-N -1 0 343.345 3.521 20 0 EHADRM Cc1ccccc1[C@H]1C[C@H](NC(=O)Nc2ccccc2CC(=O)[O-])C1 ZINC001594418727 959041130 /nfs/dbraw/zinc/04/11/30/959041130.db2.gz HWJXPIRMZQTELF-WKILWMFISA-N -1 0 338.407 3.690 20 0 EHADRM CC(C)[C@H](NC(=O)NCc1ccccc1C(=O)[O-])c1ccccc1F ZINC001573499759 959053668 /nfs/dbraw/zinc/05/36/68/959053668.db2.gz MWOAYBUWOBDXDE-KRWDZBQOSA-N -1 0 344.386 3.720 20 0 EHADRM CC(C)[C@]1(C)C[C@H]1C(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21 ZINC001573500160 959054772 /nfs/dbraw/zinc/05/47/72/959054772.db2.gz OTEDNKAFRIEYGT-UVFQYZLESA-N -1 0 329.440 3.739 20 0 EHADRM C[C@H](C(=O)Nc1cc(C(=O)[O-])ccn1)c1ccc(C(F)(F)F)cc1 ZINC001588557943 959076359 /nfs/dbraw/zinc/07/63/59/959076359.db2.gz LKYBENGYIQFTAW-VIFPVBQESA-N -1 0 338.285 3.541 20 0 EHADRM CC(C)CC[C@H]1CCCCN1C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC001573516747 959102637 /nfs/dbraw/zinc/10/26/37/959102637.db2.gz GOYLVNRDHDJDQL-JKSUJKDBSA-N -1 0 326.481 3.734 20 0 EHADRM CC(C)CCOc1ccccc1NC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC001573518281 959117102 /nfs/dbraw/zinc/11/71/02/959117102.db2.gz UOUJBDXXGHSMAI-OAHLLOKOSA-N -1 0 336.432 3.732 20 0 EHADRM CC(C)COc1ccccc1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001573524441 959137232 /nfs/dbraw/zinc/13/72/32/959137232.db2.gz FKWRKIXHIVYDKQ-UHFFFAOYSA-N -1 0 342.395 3.741 20 0 EHADRM CC(C)C[C@H](Nc1ncnc2c(-c3ccccc3)nsc21)C(=O)[O-] ZINC001573539304 959182357 /nfs/dbraw/zinc/18/23/57/959182357.db2.gz FSVHNVPQEBSASK-LBPRGKRZSA-N -1 0 342.424 3.665 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000392130478 972413593 /nfs/dbraw/zinc/41/35/93/972413593.db2.gz LGEORFPIZDIBCT-LBPRGKRZSA-N -1 0 340.345 3.904 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000165012311 959270127 /nfs/dbraw/zinc/27/01/27/959270127.db2.gz QYQATUJQMRCCTG-UHFFFAOYSA-N -1 0 341.207 3.528 20 0 EHADRM CC(C)c1scnc1NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001573568461 959300852 /nfs/dbraw/zinc/30/08/52/959300852.db2.gz MAUYZAUVCZUTJN-SNVBAGLBSA-N -1 0 327.450 3.668 20 0 EHADRM Cc1nc(C2CCCCC2)sc1C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC001594452228 959386761 /nfs/dbraw/zinc/38/67/61/959386761.db2.gz YGKIWBODTNQGKC-CYBMUJFWSA-N -1 0 338.473 3.586 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccccc2OC2CCCC2)C1 ZINC000179973299 959435946 /nfs/dbraw/zinc/43/59/46/959435946.db2.gz RUNPREXICRUOLH-KBPBESRZSA-N -1 0 331.412 3.838 20 0 EHADRM Cc1nc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)sc1-c1ccccc1 ZINC001594460080 959444470 /nfs/dbraw/zinc/44/44/70/959444470.db2.gz JTAHHQTUIXAWCH-QWHCGFSZSA-N -1 0 330.409 3.558 20 0 EHADRM O=C([O-])c1coc(C(=O)N[C@@H](c2ccccc2)c2cccc(F)c2)c1 ZINC000183814724 959452176 /nfs/dbraw/zinc/45/21/76/959452176.db2.gz XJJCEKXBMKERRC-KRWDZBQOSA-N -1 0 339.322 3.636 20 0 EHADRM C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)C1(CC(=O)[O-])CCC1 ZINC001573608676 959469222 /nfs/dbraw/zinc/46/92/22/959469222.db2.gz WFPFHIDPBXVZGK-AWEZNQCLSA-N -1 0 347.455 3.513 20 0 EHADRM CCCC[C@@H](NC(=O)c1sc2ccc(OC)cc2c1C)C(=O)[O-] ZINC000184970629 959483561 /nfs/dbraw/zinc/48/35/61/959483561.db2.gz POXIQBNSUFFNMW-CYBMUJFWSA-N -1 0 335.425 3.592 20 0 EHADRM Cc1cc(Cl)c(C(=O)NCCc2ccc(C(=O)[O-])cc2)cc1C ZINC000190488330 959512726 /nfs/dbraw/zinc/51/27/26/959512726.db2.gz AYOPVRRWUSWQBU-UHFFFAOYSA-N -1 0 331.799 3.628 20 0 EHADRM COc1ccc(N(C(=O)CC(C)(C)CC(=O)[O-])[C@@H](C)C2CC2)cc1 ZINC000190629524 959516138 /nfs/dbraw/zinc/51/61/38/959516138.db2.gz AJMONUNXLFFBFH-ZDUSSCGKSA-N -1 0 333.428 3.718 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)NCc3cc(C(=O)[O-])c(C)o3)s2)o1 ZINC000190926585 959530622 /nfs/dbraw/zinc/53/06/22/959530622.db2.gz YXMXJZQIUMXLPW-UHFFFAOYSA-N -1 0 345.376 3.846 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)CC2CCC(C(F)(F)F)CC2)C1 ZINC000191205597 959545981 /nfs/dbraw/zinc/54/59/81/959545981.db2.gz HZTNIHSJIPSIMO-ROKHWSDSSA-N -1 0 349.393 3.849 20 0 EHADRM C[C@H](OC(=O)c1ccc(C(=O)[O-])cc1)c1ccc(C(F)(F)F)nc1 ZINC001594243658 959551847 /nfs/dbraw/zinc/55/18/47/959551847.db2.gz VWMVPNJXLLELTM-VIFPVBQESA-N -1 0 339.269 3.717 20 0 EHADRM Cc1sc(-c2ccco2)nc1C(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC000191304479 959553840 /nfs/dbraw/zinc/55/38/40/959553840.db2.gz OJBLFRDPUVUACQ-UHFFFAOYSA-N -1 0 348.424 3.571 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)C2(Cc3ccccc3)CC2)cc1)C(=O)[O-] ZINC000191397494 959558740 /nfs/dbraw/zinc/55/87/40/959558740.db2.gz QWQDMFIHLQNIHP-HNNXBMFYSA-N -1 0 337.419 3.911 20 0 EHADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1cccc(Cl)c1 ZINC000191519738 959575738 /nfs/dbraw/zinc/57/57/38/959575738.db2.gz VVALFDVZWPTURZ-MRXNPFEDSA-N -1 0 331.799 3.546 20 0 EHADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1coc2ccccc12 ZINC000191525722 959577605 /nfs/dbraw/zinc/57/76/05/959577605.db2.gz GWUKZCLBRLUJAE-OAHLLOKOSA-N -1 0 337.375 3.639 20 0 EHADRM C[C@@H](C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F)c1ccccc1 ZINC000192869217 959593089 /nfs/dbraw/zinc/59/30/89/959593089.db2.gz HLIQIQRQGOHWQX-CYBMUJFWSA-N -1 0 347.361 3.572 20 0 EHADRM CC[C@H](C(=O)Nc1ccc(C)c(C(=O)[O-])c1)c1ccc(OC)cc1 ZINC000192891609 959594655 /nfs/dbraw/zinc/59/46/55/959594655.db2.gz GAHYXYSMQIOVCR-INIZCTEOSA-N -1 0 327.380 3.834 20 0 EHADRM CCC[C@@H](C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000193066978 959609608 /nfs/dbraw/zinc/60/96/08/959609608.db2.gz IQWPGTFPFQWYJK-WIYYLYMNSA-N -1 0 339.435 3.729 20 0 EHADRM C=C[C@@H](CC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000193068825 959611615 /nfs/dbraw/zinc/61/16/15/959611615.db2.gz AMSMFWOWRGSETA-HRAATJIYSA-N -1 0 337.419 3.505 20 0 EHADRM Cc1c(C(=O)[O-])sc2[nH]c(Cc3ccc(C(C)C)cc3)nc(=O)c12 ZINC000201366411 959639235 /nfs/dbraw/zinc/63/92/35/959639235.db2.gz WAZISHNBIVDVSF-UHFFFAOYSA-N -1 0 342.420 3.705 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1 ZINC001573655876 959669902 /nfs/dbraw/zinc/66/99/02/959669902.db2.gz LSQUIKDJUBSYHJ-CVEARBPZSA-N -1 0 343.467 3.651 20 0 EHADRM Cc1c2occ(CC(=O)N3C[C@@H](C(=O)[O-])CC[C@H]3C)c2ccc1Cl ZINC001594262428 959708898 /nfs/dbraw/zinc/70/88/98/959708898.db2.gz FQLCDFJZWHJVPL-PWSUYJOCSA-N -1 0 349.814 3.649 20 0 EHADRM CC1(C)CCc2c(OC(=O)Cc3ccccc3C(=O)[O-])cccc2O1 ZINC001573674701 959718481 /nfs/dbraw/zinc/71/84/81/959718481.db2.gz AEDGUNZGPGSEEK-UHFFFAOYSA-N -1 0 340.375 3.637 20 0 EHADRM C[C@@]1(Cc2cccs2)CCCN1C(=O)c1cccc(C(=O)[O-])c1 ZINC001573688985 959752743 /nfs/dbraw/zinc/75/27/43/959752743.db2.gz ACWOIZMQAWBTMB-SFHVURJKSA-N -1 0 329.421 3.684 20 0 EHADRM Cc1cc(COc2cc(Br)cc(F)c2F)oc1C(=O)[O-] ZINC000219740922 959796675 /nfs/dbraw/zinc/79/66/75/959796675.db2.gz NACMIIJPCWXQEZ-UHFFFAOYSA-N -1 0 347.111 3.906 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC(=O)NCC2(C(=O)[O-])CCC2)C1 ZINC001573701611 959836609 /nfs/dbraw/zinc/83/66/09/959836609.db2.gz QDEFOPQCQGCCRO-UAGQMJEPSA-N -1 0 344.455 3.513 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2coc(/C=C/C(=O)[O-])c2)C1 ZINC001573701793 959837953 /nfs/dbraw/zinc/83/79/53/959837953.db2.gz SAKADAXBDSPJFD-CDRJOZRASA-N -1 0 325.364 3.601 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC001573711380 959851563 /nfs/dbraw/zinc/85/15/63/959851563.db2.gz MGMKFILQYKMBEZ-RKDXNWHRSA-N -1 0 349.736 3.684 20 0 EHADRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCc2ccc(Cl)s2)c1 ZINC000226259491 959873550 /nfs/dbraw/zinc/87/35/50/959873550.db2.gz OGFGWKBHPUUQEE-UHFFFAOYSA-N -1 0 326.761 3.663 20 0 EHADRM Cc1csc(C(=O)[O-])c1S(=O)(=O)Nc1cc(C)ccc1Cl ZINC000232210062 960253102 /nfs/dbraw/zinc/25/31/02/960253102.db2.gz YZUOJPMSLDGXQS-UHFFFAOYSA-N -1 0 345.829 3.517 20 0 EHADRM COc1ccc(Br)c(-c2nc(CCC(=O)[O-])cs2)c1 ZINC000234979104 960380113 /nfs/dbraw/zinc/38/01/13/960380113.db2.gz FSMBDNLAGOQYIV-UHFFFAOYSA-N -1 0 342.214 3.598 20 0 EHADRM C[C@H]1CCCc2ccccc2[C@H]1NC(=O)NCCC(C)(C)C(=O)[O-] ZINC001573725320 960398422 /nfs/dbraw/zinc/39/84/22/960398422.db2.gz CVWWUWZURNZLMC-BBRMVZONSA-N -1 0 332.444 3.500 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])c1cc(SCc2ccccc2)ncn1 ZINC001588657047 960415887 /nfs/dbraw/zinc/41/58/87/960415887.db2.gz KUBUQCDRUBXWIY-UHFFFAOYSA-N -1 0 345.468 3.706 20 0 EHADRM CSCCc1ccccc1NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001574257769 960549060 /nfs/dbraw/zinc/54/90/60/960549060.db2.gz WAFNDCQEDCEIFH-VQHVLOKHSA-N -1 0 331.393 3.535 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)C(=O)/C(C)=C/c1c(Cl)cccc1Cl ZINC001573757893 960575921 /nfs/dbraw/zinc/57/59/21/960575921.db2.gz GLRBUXSBUSYFAZ-MMQHEFTJSA-N -1 0 330.211 3.718 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 ZINC001574267147 960593054 /nfs/dbraw/zinc/59/30/54/960593054.db2.gz RFHKWQRWTFIHAD-OASPWFOLSA-N -1 0 347.308 3.570 20 0 EHADRM CCC(CC)(CNC(=O)C1(Cc2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC001573783572 960716482 /nfs/dbraw/zinc/71/64/82/960716482.db2.gz GZWUAZFGEKKLFK-UHFFFAOYSA-N -1 0 337.847 3.670 20 0 EHADRM C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001603286865 972527776 /nfs/dbraw/zinc/52/77/76/972527776.db2.gz NEWRBBPLDNVFNM-GUYCJALGSA-N -1 0 339.395 3.580 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)NCC1CCC(C)CC1)C(=O)[O-] ZINC000236663011 960725803 /nfs/dbraw/zinc/72/58/03/960725803.db2.gz JJZUHQMTRBJIJH-ROKHWSDSSA-N -1 0 335.469 3.808 20 0 EHADRM C/C(=C/C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1)c1ccc(F)cc1 ZINC000236662922 960726026 /nfs/dbraw/zinc/72/60/26/960726026.db2.gz CXSMAUGJZJJLDT-XSLBHYSZSA-N -1 0 345.345 3.700 20 0 EHADRM CCCCCCOc1ccc(C(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])cc1 ZINC000236663287 960727463 /nfs/dbraw/zinc/72/74/63/960727463.db2.gz CMGOUBORIYKZDN-IAGOWNOFSA-N -1 0 333.428 3.629 20 0 EHADRM CCCCOc1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000236670370 960727937 /nfs/dbraw/zinc/72/79/37/960727937.db2.gz IFDLBDYJZFGFJG-OAHLLOKOSA-N -1 0 333.428 3.583 20 0 EHADRM Cc1cc(OCC(=O)Nc2cc(C(=O)[O-])ccc2F)ccc1C(C)C ZINC000236674534 960729545 /nfs/dbraw/zinc/72/95/45/960729545.db2.gz JLPMKQWOHGCSSJ-UHFFFAOYSA-N -1 0 345.370 3.973 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000236714429 960740500 /nfs/dbraw/zinc/74/05/00/960740500.db2.gz LYOJJLADXWKRDY-QZTJIDSGSA-N -1 0 331.456 3.605 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)c1cn(CC(C)C)c2ccccc12 ZINC000236746743 960748935 /nfs/dbraw/zinc/74/89/35/960748935.db2.gz YOWIKEBYDVYADW-UHFFFAOYSA-N -1 0 344.455 3.870 20 0 EHADRM CC(C)(C)c1ncc(/C=C/C(=O)NCCCCCCC(=O)[O-])s1 ZINC000236766995 960753920 /nfs/dbraw/zinc/75/39/20/960753920.db2.gz NIOFTLNOCLWFTB-MDZDMXLPSA-N -1 0 338.473 3.605 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC000236975706 960821538 /nfs/dbraw/zinc/82/15/38/960821538.db2.gz UXXZYJVSACCBOB-CQSZACIVSA-N -1 0 325.408 3.757 20 0 EHADRM CCC(CC)(CNC(=O)[C@@H](OC1CCCC1)c1ccccc1)C(=O)[O-] ZINC000236858076 960779616 /nfs/dbraw/zinc/77/96/16/960779616.db2.gz RRCUWKIGPODDEI-KRWDZBQOSA-N -1 0 347.455 3.694 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCCc3c(F)cc(F)cc32)c1 ZINC001574315419 960780228 /nfs/dbraw/zinc/78/02/28/960780228.db2.gz MLECPLMIVOIYPB-UHFFFAOYSA-N -1 0 331.318 3.564 20 0 EHADRM CCSCc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC000236867271 960783895 /nfs/dbraw/zinc/78/38/95/960783895.db2.gz FDMJHTAMHCSEDV-ULQDDVLXSA-N -1 0 347.480 3.798 20 0 EHADRM CC[C@@H](C)[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000236873356 960786823 /nfs/dbraw/zinc/78/68/23/960786823.db2.gz GTUKASABNPWDLB-KDOFPFPSSA-N -1 0 325.408 3.831 20 0 EHADRM CC/C(=C/C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccc(C)cc1 ZINC000236892374 960791400 /nfs/dbraw/zinc/79/14/00/960791400.db2.gz GBBVDBYOSGKKQR-MUBYSKIDSA-N -1 0 329.440 3.892 20 0 EHADRM CCC[C@@](C)(NC(=O)[C@@H](C)Sc1ccccc1Cl)C(=O)[O-] ZINC000236961659 960813573 /nfs/dbraw/zinc/81/35/73/960813573.db2.gz FTHLDMMTPIWISP-MEBBXXQBSA-N -1 0 329.849 3.580 20 0 EHADRM CC[C@@H](NC(=O)c1csc(-c2ccc(C(C)C)cc2)n1)C(=O)[O-] ZINC000236989055 960826383 /nfs/dbraw/zinc/82/63/83/960826383.db2.gz JYBQGVGZRNKFII-CYBMUJFWSA-N -1 0 332.425 3.527 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H](C)Oc1cc(C(C)C)ccc1C ZINC000237015530 960834463 /nfs/dbraw/zinc/83/44/63/960834463.db2.gz HDGVWWVQOBFTCV-KUHUBIRLSA-N -1 0 335.444 3.645 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)CCCCc1nc2ccccc2s1)C(=O)[O-] ZINC000237028350 960841929 /nfs/dbraw/zinc/84/19/29/960841929.db2.gz CGFRSNUEBPFKHF-SJKOYZFVSA-N -1 0 348.468 3.625 20 0 EHADRM Cc1[nH]c2c(cccc2C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c1C ZINC000237060210 960859900 /nfs/dbraw/zinc/85/99/00/960859900.db2.gz CDRPSXNKTHBFGC-UHFFFAOYSA-N -1 0 336.391 3.755 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H](C)Oc1ccc(C(C)C)c(C)c1 ZINC000237108650 960871987 /nfs/dbraw/zinc/87/19/87/960871987.db2.gz AMUGVAQQHKOFQR-AUUYWEPGSA-N -1 0 335.444 3.645 20 0 EHADRM COc1ccc(C[C@H](C)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000237231006 960891844 /nfs/dbraw/zinc/89/18/44/960891844.db2.gz HYAQVVHDKMKEQQ-ZDUSSCGKSA-N -1 0 327.380 3.519 20 0 EHADRM COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000237260386 960894319 /nfs/dbraw/zinc/89/43/19/960894319.db2.gz FCRLPQXEAULOGB-AWEZNQCLSA-N -1 0 339.391 3.842 20 0 EHADRM CSc1cc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])c(Cl)cc1Cl ZINC000237298434 960904086 /nfs/dbraw/zinc/90/40/86/960904086.db2.gz VVGWBVSHQPSCCO-WRWORJQWSA-N -1 0 348.251 3.698 20 0 EHADRM Cc1cc(NC(=O)CCCc2nc3ccccc3[nH]2)ccc1C(=O)[O-] ZINC001574337899 960913464 /nfs/dbraw/zinc/91/34/64/960913464.db2.gz OSRUIUIUFFVVNW-UHFFFAOYSA-N -1 0 337.379 3.531 20 0 EHADRM C[C@H](C(=O)Nc1cccc(OCC(=O)[O-])c1)c1cc2ccccc2o1 ZINC000237459685 960938482 /nfs/dbraw/zinc/93/84/82/960938482.db2.gz PPWMZASAEXFNLI-LBPRGKRZSA-N -1 0 339.347 3.638 20 0 EHADRM Cc1ccc(-c2cccc(CNC(=O)[C@@H](C(=O)[O-])C(C)C)c2)cc1 ZINC001574348534 960977170 /nfs/dbraw/zinc/97/71/70/960977170.db2.gz YUMWGVAZRBZCIN-SFHVURJKSA-N -1 0 325.408 3.635 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000237667957 960991181 /nfs/dbraw/zinc/99/11/81/960991181.db2.gz KDDYELLMZJCVPT-ZWQIFLOQSA-N -1 0 337.419 3.677 20 0 EHADRM Cc1sc(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])cc1-c1ccc(F)cc1 ZINC000237701735 961002016 /nfs/dbraw/zinc/00/20/16/961002016.db2.gz NMXKSEQAFUTRLO-HIFRSBDPSA-N -1 0 347.411 3.846 20 0 EHADRM Cc1[nH]c2ccc(C(=O)Nc3cccc(OCC(=O)[O-])c3)cc2c1C ZINC000237728434 961010970 /nfs/dbraw/zinc/01/09/70/961010970.db2.gz MEZZICBEWZPXAA-UHFFFAOYSA-N -1 0 338.363 3.500 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)c(C)n1C1CC1 ZINC000237751010 961013916 /nfs/dbraw/zinc/01/39/16/961013916.db2.gz BSFGKARPNHCUBV-KRWDZBQOSA-N -1 0 344.386 3.525 20 0 EHADRM Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])c(C)n1C1CCCCC1 ZINC000237760211 961018201 /nfs/dbraw/zinc/01/82/01/961018201.db2.gz NEMJFMXAGPKQKA-DOTOQJQBSA-N -1 0 332.444 3.593 20 0 EHADRM Cc1ccc(-c2nc(CC(=O)Nc3ccc(C(=O)[O-])cc3)cs2)o1 ZINC000237776052 961022332 /nfs/dbraw/zinc/02/23/32/961022332.db2.gz ZWBWSAPIHHFQHW-UHFFFAOYSA-N -1 0 342.376 3.591 20 0 EHADRM Cc1ccc(C2=CCN(C(=O)[C@@H](C(=O)[O-])C3CCCC3)CC2)cc1 ZINC001574360493 961023675 /nfs/dbraw/zinc/02/36/75/961023675.db2.gz BXSLFHAGERQGLW-SFHVURJKSA-N -1 0 327.424 3.502 20 0 EHADRM Cc1c2ccccc2oc1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000237867822 961034701 /nfs/dbraw/zinc/03/47/01/961034701.db2.gz PSYVMINPTVQNTH-UHFFFAOYSA-N -1 0 339.347 3.847 20 0 EHADRM Cc1ccc(CNC(=O)C2(C(=O)[O-])CCC2)c(OCCCC(C)C)c1 ZINC001574368201 961053888 /nfs/dbraw/zinc/05/38/88/961053888.db2.gz VYSLVSBXBKDHAL-UHFFFAOYSA-N -1 0 347.455 3.681 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCc3cc(OC(F)F)ccc32)cc1 ZINC000237981279 961064440 /nfs/dbraw/zinc/06/44/40/961064440.db2.gz XPUIJQDTYOEQHP-UHFFFAOYSA-N -1 0 347.317 3.579 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC2CCC(c3ccccc3)CC2)s1 ZINC000238006836 961073181 /nfs/dbraw/zinc/07/31/81/961073181.db2.gz JXUAFPDXDPPVCT-UHFFFAOYSA-N -1 0 329.421 3.903 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCCc2cccc3ccccc32)s1 ZINC000238015791 961076574 /nfs/dbraw/zinc/07/65/74/961076574.db2.gz JNXHRVXMYCJUAN-UHFFFAOYSA-N -1 0 325.389 3.572 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)o1 ZINC000238056297 961089542 /nfs/dbraw/zinc/08/95/42/961089542.db2.gz MAKXEYGDXONBBK-UHFFFAOYSA-N -1 0 333.649 3.902 20 0 EHADRM CCCCCOc1ccc(C(=O)Nc2ccnc(C(=O)[O-])c2)cc1 ZINC001573843129 961096958 /nfs/dbraw/zinc/09/69/58/961096958.db2.gz UOKUVAOTTAWFIB-UHFFFAOYSA-N -1 0 328.368 3.601 20 0 EHADRM O=C([O-])CCCCCCNC(=O)C(c1ccccc1)c1ccccc1 ZINC000238112451 961102487 /nfs/dbraw/zinc/10/24/87/961102487.db2.gz LZFGSMKRQWGPSQ-UHFFFAOYSA-N -1 0 339.435 3.970 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H]1NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000238119544 961107023 /nfs/dbraw/zinc/10/70/23/961107023.db2.gz NWIWROKDZZHPKR-AAEUAGOBSA-N -1 0 333.771 3.583 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1cccc(Oc2ccccc2)c1 ZINC000238165059 961140135 /nfs/dbraw/zinc/14/01/35/961140135.db2.gz REISOXWXQHUJHW-UHFFFAOYSA-N -1 0 327.380 3.854 20 0 EHADRM CC(C)(C)c1ccc(CC(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC001588739350 961148527 /nfs/dbraw/zinc/14/85/27/961148527.db2.gz BUMHMXZLLWFENW-UHFFFAOYSA-N -1 0 331.456 3.630 20 0 EHADRM CCCN(Cc1ccccc1F)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001573856862 961150903 /nfs/dbraw/zinc/15/09/03/961150903.db2.gz FQTAMARFYZWHJZ-CSKARUKUSA-N -1 0 331.343 3.569 20 0 EHADRM CC(C)(C)c1ccc(CNC(=O)Cc2ccccc2C(=O)[O-])s1 ZINC001588739743 961159598 /nfs/dbraw/zinc/15/95/98/961159598.db2.gz RCRKIPSVNZFVJR-UHFFFAOYSA-N -1 0 331.437 3.603 20 0 EHADRM Cc1cccc([C@@H](NC(=O)CC(C)(C)c2ccccc2)C(=O)[O-])c1 ZINC001574390372 961170075 /nfs/dbraw/zinc/17/00/75/961170075.db2.gz VWCGOCIHLSOFOK-GOSISDBHSA-N -1 0 325.408 3.605 20 0 EHADRM CC(C)(C)c1cccc(C(=O)Nc2nc3ccccn3c2C(=O)[O-])c1 ZINC001588741378 961171935 /nfs/dbraw/zinc/17/19/35/961171935.db2.gz AOTJOGMVRPQNPG-UHFFFAOYSA-N -1 0 337.379 3.582 20 0 EHADRM CC(C)(C)c1ccc2[nH]c(C(=O)NC3(C(=O)[O-])CCCC3)cc2c1 ZINC001588742000 961174712 /nfs/dbraw/zinc/17/47/12/961174712.db2.gz QMDQNYVXCGOUIO-UHFFFAOYSA-N -1 0 328.412 3.593 20 0 EHADRM CCN(C(=O)Nc1cccc(SC(F)(F)F)c1)[C@H](C)C(=O)[O-] ZINC001573873893 961227580 /nfs/dbraw/zinc/22/75/80/961227580.db2.gz GRDYVHUIASPQEA-MRVPVSSYSA-N -1 0 336.335 3.625 20 0 EHADRM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001574401859 961237449 /nfs/dbraw/zinc/23/74/49/961237449.db2.gz FMHBODPJASWPEJ-PMPSAXMXSA-N -1 0 329.440 3.689 20 0 EHADRM CC(C)(CCCc1ccccc1)CNC(=O)C1(C(=O)[O-])CC=CC1 ZINC001588768002 961254459 /nfs/dbraw/zinc/25/44/59/961254459.db2.gz CUXXXPNCWXANMK-UHFFFAOYSA-N -1 0 329.440 3.573 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H]2Cc3ccc(Cl)cc32)cc1 ZINC001329286889 961257769 /nfs/dbraw/zinc/25/77/69/961257769.db2.gz FQHDADHCMBUDKC-DLBZAZTESA-N -1 0 343.810 3.620 20 0 EHADRM CC(C)(CCNC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3)C(=O)[O-] ZINC001588775383 961279500 /nfs/dbraw/zinc/27/95/00/961279500.db2.gz DHUUFGFRWQZGDA-UHFFFAOYSA-N -1 0 342.439 3.668 20 0 EHADRM Cc1coc(-c2cccc(NC(=O)/C=C/c3ccc(C(=O)[O-])o3)c2)n1 ZINC001574412749 961304722 /nfs/dbraw/zinc/30/47/22/961304722.db2.gz UAYLZZRYLGSRAL-SOFGYWHQSA-N -1 0 338.319 3.593 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000261741485 961391108 /nfs/dbraw/zinc/39/11/08/961391108.db2.gz SWVAQXQRMOCRKN-UONOGXRCSA-N -1 0 343.345 3.712 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-] ZINC000261816987 961393406 /nfs/dbraw/zinc/39/34/06/961393406.db2.gz HBGAIVJEUFLUGN-VIFPVBQESA-N -1 0 349.692 3.530 20 0 EHADRM CC[C@H](NC(=O)Cc1ccccc1C(=O)[O-])C(C)(C)c1ccccc1 ZINC000262066684 961426365 /nfs/dbraw/zinc/42/63/65/961426365.db2.gz CKODAVSZDIBOMI-SFHVURJKSA-N -1 0 339.435 3.800 20 0 EHADRM CC[C@@H](NC(=O)CCc1ccccc1C(=O)[O-])c1ccc(C)cc1 ZINC000262069255 961429604 /nfs/dbraw/zinc/42/96/04/961429604.db2.gz ABOXXWLLMNEEFX-GOSISDBHSA-N -1 0 325.408 3.893 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N1CCC[C@@H]1Cc1ccccc1 ZINC000262123599 961480237 /nfs/dbraw/zinc/48/02/37/961480237.db2.gz GSUXGJQFKHAOJT-GOSISDBHSA-N -1 0 337.419 3.551 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N(CCC(F)(F)F)CC1CC1 ZINC000262145284 961498057 /nfs/dbraw/zinc/49/80/57/961498057.db2.gz MKKJTFVIACMQOR-UHFFFAOYSA-N -1 0 343.345 3.508 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N1CCC[C@@H]1c1cccs1 ZINC000262149214 961499437 /nfs/dbraw/zinc/49/94/37/961499437.db2.gz JHQVFZNQQHUKIC-OAHLLOKOSA-N -1 0 329.421 3.743 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(NCCc2ccccc2)cc1 ZINC001588809298 961510306 /nfs/dbraw/zinc/51/03/06/961510306.db2.gz KAQHUMMQVGDLDA-SFHVURJKSA-N -1 0 340.423 3.637 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1CC[C@@H]3CCCC[C@H]3C1)CC2 ZINC000262167554 961516897 /nfs/dbraw/zinc/51/68/97/961516897.db2.gz HKEKRAINQFJBDC-BHYGNILZSA-N -1 0 341.451 3.876 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)OCc1cc(Cl)ccc1OCC1CC1 ZINC001588812862 961532784 /nfs/dbraw/zinc/53/27/84/961532784.db2.gz HQLYJHMTIBQXRH-OAHLLOKOSA-N -1 0 340.803 3.529 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000262198454 961543509 /nfs/dbraw/zinc/54/35/09/961543509.db2.gz OHGQSGBKKRNJIC-YJBOKZPZSA-N -1 0 329.440 3.804 20 0 EHADRM Cc1oc(CN(C)Cc2cnc(-c3ccco3)s2)cc1C(=O)[O-] ZINC001332407836 961561546 /nfs/dbraw/zinc/56/15/46/961561546.db2.gz WAGOVMTWFKFWRJ-UHFFFAOYSA-N -1 0 332.381 3.635 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C3CC3)nc2C)cc1 ZINC001332578910 961593898 /nfs/dbraw/zinc/59/38/98/961593898.db2.gz LBSPIVKXVJXKON-SFHVURJKSA-N -1 0 338.407 3.522 20 0 EHADRM CC(C)[C@H](CNC(=O)N1CC(C)(C)C[C@H]1c1ccccc1)C(=O)[O-] ZINC001588821301 961621720 /nfs/dbraw/zinc/62/17/20/961621720.db2.gz GBOSLNKFSPCZIC-HOTGVXAUSA-N -1 0 332.444 3.526 20 0 EHADRM CC(C)(C(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccc(F)cc1 ZINC000262379480 961683175 /nfs/dbraw/zinc/68/31/75/961683175.db2.gz KFKZBFGWLVORES-UHFFFAOYSA-N -1 0 329.371 3.759 20 0 EHADRM CN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1c2ccccc2-c2ccccc21 ZINC001573979588 961756790 /nfs/dbraw/zinc/75/67/90/961756790.db2.gz KTEPGDGTCFDJDS-UONOGXRCSA-N -1 0 335.403 3.716 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@@H]1SCCc2ccccc21 ZINC000262559804 961772310 /nfs/dbraw/zinc/77/23/10/961772310.db2.gz VZRJBXGIXUJEJY-QGZVFWFLSA-N -1 0 341.432 3.971 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N[C@@H](C)CCc1ccco1)C(=O)[O-] ZINC000262669307 961799892 /nfs/dbraw/zinc/79/98/92/961799892.db2.gz WUBGADMTMNXHBT-QWHCGFSZSA-N -1 0 347.436 3.596 20 0 EHADRM CC(C)C1CCC(NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1 ZINC001588841594 961807241 /nfs/dbraw/zinc/80/72/41/961807241.db2.gz MLIYHKMNJZNKHP-NXSPZCGBSA-N -1 0 338.492 3.636 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N(C2CC2)[C@H]2CCc3ccccc32)CC1 ZINC000262688906 961808685 /nfs/dbraw/zinc/80/86/85/961808685.db2.gz DJXUMOCIBDVRAI-MPGHIAIKSA-N -1 0 327.424 3.556 20 0 EHADRM Cn1c2ccccc2c(Cl)c1C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000262704270 961814265 /nfs/dbraw/zinc/81/42/65/961814265.db2.gz BHNYJAWDBAVYMV-KPZWWZAWSA-N -1 0 348.830 3.595 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)Nc2ccc(SC(F)F)cc2)CC1 ZINC000262711865 961819105 /nfs/dbraw/zinc/81/91/05/961819105.db2.gz LVXXTMBFKZGRHX-MGCOHNPYSA-N -1 0 329.368 3.831 20 0 EHADRM CC[C@H]1CN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC[C@H]1c1ccccc1 ZINC000262721716 961827614 /nfs/dbraw/zinc/82/76/14/961827614.db2.gz PYNXRTDQMPJBHG-DSLXNQLJSA-N -1 0 343.467 3.920 20 0 EHADRM CC1(CC(=O)N[C@@H](CC(=O)[O-])c2ccc(C(F)(F)F)cc2)CC1 ZINC001334876801 961848918 /nfs/dbraw/zinc/84/89/18/961848918.db2.gz WTNHUUAYVZDNOP-LBPRGKRZSA-N -1 0 329.318 3.528 20 0 EHADRM CC(C)Oc1cccc([C@H](C)NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c1 ZINC000262760273 961853396 /nfs/dbraw/zinc/85/33/96/961853396.db2.gz ZMXYLXKYJYTUFZ-KKUMJFAQSA-N -1 0 333.428 3.542 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)CCc2c(Cl)cccc2Cl)c1 ZINC001574521365 961857458 /nfs/dbraw/zinc/85/74/58/961857458.db2.gz IYSJNXBPIYBFMA-UHFFFAOYSA-N -1 0 339.178 3.658 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)CCCc1c[nH]c2ccccc12 ZINC001574524784 961874231 /nfs/dbraw/zinc/87/42/31/961874231.db2.gz ZPRKEYBAGDKEMZ-UHFFFAOYSA-N -1 0 336.391 3.505 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)CC[C@@H](C)c1ccccc1 ZINC000262829997 961895531 /nfs/dbraw/zinc/89/55/31/961895531.db2.gz BDNKPLRLZOSHMF-CYBMUJFWSA-N -1 0 327.380 3.916 20 0 EHADRM Cc1ccccc1C1(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)CCCCC1 ZINC000262839585 961906417 /nfs/dbraw/zinc/90/64/17/961906417.db2.gz CXIOJFFHCQSBEA-DLBZAZTESA-N -1 0 343.467 3.766 20 0 EHADRM CN(c1ccc(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])cc1F)C1CCCCC1 ZINC001574021727 961964834 /nfs/dbraw/zinc/96/48/34/961964834.db2.gz DMXVYHNOAUZPKE-HUUCEWRRSA-N -1 0 348.418 3.644 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)[C@@H](C(=O)[O-])C1 ZINC000262896234 961969884 /nfs/dbraw/zinc/96/98/84/961969884.db2.gz DHWOLQXYKKCQHL-PRHODGIISA-N -1 0 349.736 3.684 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)NC1(CC(=O)[O-])CCCC1 ZINC000262898635 961975624 /nfs/dbraw/zinc/97/56/24/961975624.db2.gz MBEDQJITJQNQKR-NSHDSACASA-N -1 0 341.860 3.724 20 0 EHADRM CC[C@H](C)Oc1ccc(NC(=O)c2c(C)coc2CC(=O)[O-])cc1 ZINC000262912102 961990577 /nfs/dbraw/zinc/99/05/77/961990577.db2.gz JRAPAOZLTUTCIR-LBPRGKRZSA-N -1 0 331.368 3.645 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000262962290 962048737 /nfs/dbraw/zinc/04/87/37/962048737.db2.gz JETMOFRYFSXLNY-CQSZACIVSA-N -1 0 349.736 3.686 20 0 EHADRM CC[C@@H](CCc1ccccc1)NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001339924953 962086271 /nfs/dbraw/zinc/08/62/71/962086271.db2.gz DTJODZAIUSYHKO-ROUUACIJSA-N -1 0 346.471 3.684 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000262999575 962093159 /nfs/dbraw/zinc/09/31/59/962093159.db2.gz QZMWVMVYRMPVAZ-IAQYHMDHSA-N -1 0 345.370 3.578 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(C)cc1Br ZINC000262999009 962093765 /nfs/dbraw/zinc/09/37/65/962093765.db2.gz UQWRCRPKLLAYBG-UHFFFAOYSA-N -1 0 342.233 3.521 20 0 EHADRM CC(C)CCc1nc(CN[C@H](Cc2ccccc2)C(=O)[O-])cs1 ZINC001588872580 962095616 /nfs/dbraw/zinc/09/56/16/962095616.db2.gz TYSFNDYKRLXFKN-MRXNPFEDSA-N -1 0 332.469 3.517 20 0 EHADRM O=C([O-])C1CCN(C(=O)N[C@@H]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC001340568518 962105537 /nfs/dbraw/zinc/10/55/37/962105537.db2.gz CWCNOWJLMZUTPL-FUHWJXTLSA-N -1 0 344.455 3.609 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)C1 ZINC000263022586 962129708 /nfs/dbraw/zinc/12/97/08/962129708.db2.gz OOWQNPGINCAGQC-LQWHRVPQSA-N -1 0 337.419 3.657 20 0 EHADRM COCc1cc(NC(=O)C[C@H](C)c2ccccc2)cc(C(=O)[O-])c1 ZINC000263026004 962137369 /nfs/dbraw/zinc/13/73/69/962137369.db2.gz BJCGSQSYTLRFGI-ZDUSSCGKSA-N -1 0 327.380 3.664 20 0 EHADRM Cc1cc(C(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)c(C)o1 ZINC000263030082 962142688 /nfs/dbraw/zinc/14/26/88/962142688.db2.gz OMFCEJPCJNPJHQ-UHFFFAOYSA-N -1 0 341.407 3.690 20 0 EHADRM Cc1cccc(F)c1C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC001341831588 962142876 /nfs/dbraw/zinc/14/28/76/962142876.db2.gz HJTQWWSGIMSVNE-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM Cc1ccsc1C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC000263033250 962150342 /nfs/dbraw/zinc/15/03/42/962150342.db2.gz COCANRZQSJOUQT-UONOGXRCSA-N -1 0 349.839 3.650 20 0 EHADRM CC(C)[C@@H](NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1 ZINC001343024105 962153125 /nfs/dbraw/zinc/15/31/25/962153125.db2.gz XMBOJEPBZPDXPO-MAUKXSAKSA-N -1 0 332.444 3.670 20 0 EHADRM C[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1csc2ccccc21 ZINC001343098354 962159298 /nfs/dbraw/zinc/15/92/98/962159298.db2.gz KQZLZRXJUWVRQP-RWMBFGLXSA-N -1 0 346.452 3.715 20 0 EHADRM CC(C)C[C@H](CNC(=O)N[C@H]1CCC[C@H]1C(C)(C)C)CC(=O)[O-] ZINC001588893071 962217063 /nfs/dbraw/zinc/21/70/63/962217063.db2.gz SKPQEMJOAGQISK-ZNMIVQPWSA-N -1 0 326.481 3.637 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccccc1-c1ncco1)CC(=O)[O-] ZINC001588894153 962219181 /nfs/dbraw/zinc/21/91/81/962219181.db2.gz HGGMZSCZTDUMJR-ZDUSSCGKSA-N -1 0 345.399 3.600 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1[nH]ccc1-c1ccccc1)CC(=O)[O-] ZINC001588894259 962223865 /nfs/dbraw/zinc/22/38/65/962223865.db2.gz IFEFAFDVWJYMRW-AWEZNQCLSA-N -1 0 328.412 3.549 20 0 EHADRM CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(C)CCCC(=O)[O-] ZINC000263088126 962237142 /nfs/dbraw/zinc/23/71/42/962237142.db2.gz HPBMCHFBQSJCBX-CYBMUJFWSA-N -1 0 345.361 3.597 20 0 EHADRM CCc1occc1C(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC000263092090 962241871 /nfs/dbraw/zinc/24/18/71/962241871.db2.gz STTRANCTYMJEFT-UHFFFAOYSA-N -1 0 341.407 3.635 20 0 EHADRM C[C@@H](C(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1)C(C)(C)C ZINC000263099361 962248275 /nfs/dbraw/zinc/24/82/75/962248275.db2.gz FHFWBINELOHLQJ-NSHDSACASA-N -1 0 346.452 3.807 20 0 EHADRM O=C([O-])[C@H](C(=O)Oc1ccc(Oc2nccs2)cc1)C1CCCC1 ZINC001574622378 962260653 /nfs/dbraw/zinc/26/06/53/962260653.db2.gz ZIGRRXOQHDUZFE-CQSZACIVSA-N -1 0 347.392 3.732 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)c2conc2C2CC2)c1 ZINC000263152280 962304631 /nfs/dbraw/zinc/30/46/31/962304631.db2.gz NVYJPBZHCHCPKO-UHFFFAOYSA-N -1 0 346.408 3.512 20 0 EHADRM Cc1cccc(Oc2ccccc2C(=O)N(C)CCCC(=O)[O-])c1 ZINC000263153542 962306307 /nfs/dbraw/zinc/30/63/07/962306307.db2.gz OAEJJWRCOUDOCE-UHFFFAOYSA-N -1 0 327.380 3.724 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001345797945 962307460 /nfs/dbraw/zinc/30/74/60/962307460.db2.gz RHMYTDQAMWESDC-SMDDNHRTSA-N -1 0 347.436 3.669 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)[C@@]3(C(=O)[O-])CC3(C)C)ccc21 ZINC001588911751 962321139 /nfs/dbraw/zinc/32/11/39/962321139.db2.gz UBOIKXNZIRTSDX-LJQANCHMSA-N -1 0 328.412 3.737 20 0 EHADRM CC(C)(CCNC(=O)C(C)(C)Cc1cccc(Cl)c1)C(=O)[O-] ZINC000263172542 962325678 /nfs/dbraw/zinc/32/56/78/962325678.db2.gz YXCVJWLSHYPKBF-UHFFFAOYSA-N -1 0 325.836 3.526 20 0 EHADRM CCCOc1cccc(CC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000263173766 962327859 /nfs/dbraw/zinc/32/78/59/962327859.db2.gz QIWXYZSYLWSVMV-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM CCOc1ccc(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cc1OC ZINC000263202091 962356985 /nfs/dbraw/zinc/35/69/85/962356985.db2.gz KCUGLCSZMRDCNA-GFCCVEGCSA-N -1 0 343.379 3.534 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)C1 ZINC000263200990 962357872 /nfs/dbraw/zinc/35/78/72/962357872.db2.gz JYCSPIIWZVSONW-DAYGRLMNSA-N -1 0 340.423 3.722 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccc(OC3CCCC3)c(F)c2)C1 ZINC000263206339 962362293 /nfs/dbraw/zinc/36/22/93/962362293.db2.gz KTEOMQCIGMXCBD-NWDGAFQWSA-N -1 0 335.375 3.587 20 0 EHADRM C[C@@H](CCC(=O)Nc1ccc(CC(=O)[O-])c(F)c1)c1ccccc1 ZINC000263215598 962369662 /nfs/dbraw/zinc/36/96/62/962369662.db2.gz OATBWIAOQHQMQK-ZDUSSCGKSA-N -1 0 329.371 3.975 20 0 EHADRM C[C@H](C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-])c1c(F)cccc1F ZINC000263217064 962371760 /nfs/dbraw/zinc/37/17/60/962371760.db2.gz XUAHVWSIMGILIK-NVGCLXPQSA-N -1 0 347.361 3.647 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000263248301 962391224 /nfs/dbraw/zinc/39/12/24/962391224.db2.gz SKUNOPORKYTPIH-LBPRGKRZSA-N -1 0 345.370 3.594 20 0 EHADRM Cc1c(COc2ccccc2)cccc1NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001347548027 962396690 /nfs/dbraw/zinc/39/66/90/962396690.db2.gz NBNJWQQQEGPMHK-IYBDPMFKSA-N -1 0 339.391 3.623 20 0 EHADRM COc1ccc2c(c1)C[C@@H](C(C)C)CN2C(=O)CCCCC(=O)[O-] ZINC000263279746 962417848 /nfs/dbraw/zinc/41/78/48/962417848.db2.gz XEJZYKUAESCVOA-OAHLLOKOSA-N -1 0 333.428 3.502 20 0 EHADRM O=C([O-])CCCCC(=O)N[C@H](Cc1ccccc1)c1ccccc1F ZINC000263303344 962443804 /nfs/dbraw/zinc/44/38/04/962443804.db2.gz NVVDAAKXWSNNHP-GOSISDBHSA-N -1 0 343.398 3.871 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000263305201 962447226 /nfs/dbraw/zinc/44/72/26/962447226.db2.gz VSULEPYNLDIMNM-UTKZUKDTSA-N -1 0 335.403 3.844 20 0 EHADRM Cc1oc(CN(C)C(=O)CC2CC(c3ccccc3)C2)cc1C(=O)[O-] ZINC000263307302 962449541 /nfs/dbraw/zinc/44/95/41/962449541.db2.gz FNUFXACYFHPYSO-UHFFFAOYSA-N -1 0 341.407 3.829 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000263324689 962468406 /nfs/dbraw/zinc/46/84/06/962468406.db2.gz JYFUMADYPVONNX-CYBMUJFWSA-N -1 0 345.826 3.670 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1cccc(COCc2ccco2)c1 ZINC000263340972 962492484 /nfs/dbraw/zinc/49/24/84/962492484.db2.gz XMOXKTGDROXIDH-UHFFFAOYSA-N -1 0 331.368 3.580 20 0 EHADRM O=C([O-])[C@@H]1CN(Cc2csc(-c3ccoc3)n2)Cc2ccccc21 ZINC001574661921 962494825 /nfs/dbraw/zinc/49/48/25/962494825.db2.gz UKMCKCKIJDTRRA-MRXNPFEDSA-N -1 0 340.404 3.587 20 0 EHADRM O=C([O-])CC[C@H](CC1CCCCC1)NC(=O)CC[C@@H]1CCCCO1 ZINC000263377637 962534890 /nfs/dbraw/zinc/53/48/90/962534890.db2.gz BTHUXZCKIZQEFV-SJORKVTESA-N -1 0 339.476 3.656 20 0 EHADRM Cc1ccc(NCc2ccc(C(=O)[O-])cc2)cc1C(=O)N(C)C(C)C ZINC000263387657 962547472 /nfs/dbraw/zinc/54/74/72/962547472.db2.gz DJMSPDFJGBXWMX-UHFFFAOYSA-N -1 0 340.423 3.786 20 0 EHADRM CC(C)(C)n1cc(C(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)cn1 ZINC000263393180 962553125 /nfs/dbraw/zinc/55/31/25/962553125.db2.gz GVEVYPQYMAPYBE-MRXNPFEDSA-N -1 0 349.475 3.572 20 0 EHADRM CCc1ccc([C@H](NC(=O)c2c(C)coc2CC(=O)[O-])C(C)C)cc1 ZINC000263395833 962557844 /nfs/dbraw/zinc/55/78/44/962557844.db2.gz FLDGTZJNWDJPKN-LJQANCHMSA-N -1 0 343.423 3.905 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)C1(Cc2ccccc2Cl)CC1 ZINC001574677927 962562712 /nfs/dbraw/zinc/56/27/12/962562712.db2.gz DUYQPVJCOIJEJZ-CQSZACIVSA-N -1 0 335.831 3.519 20 0 EHADRM Cc1ccc2nc(C3CC3)cc(C(=O)N(C)C(C)(C)CC(=O)[O-])c2c1 ZINC001351152562 962610447 /nfs/dbraw/zinc/61/04/47/962610447.db2.gz HUNHYHLTJCZYIK-UHFFFAOYSA-N -1 0 340.423 3.746 20 0 EHADRM CC(C)c1ccc(C(C)(C)NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001588967047 962653155 /nfs/dbraw/zinc/65/31/55/962653155.db2.gz WUJQUFCQAVRDOM-ZBFHGGJFSA-N -1 0 332.444 3.598 20 0 EHADRM CC(C)c1ccc2c(c1)CCN(C(=O)NCCCCCC(=O)[O-])C2 ZINC001588968135 962654975 /nfs/dbraw/zinc/65/49/75/962654975.db2.gz CUPIJLFYYSTVSP-UHFFFAOYSA-N -1 0 332.444 3.523 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)c1c(C)coc1CC(=O)[O-] ZINC000263476652 962662456 /nfs/dbraw/zinc/66/24/56/962662456.db2.gz ZIPFATBAVVMMDB-UHFFFAOYSA-N -1 0 341.816 3.592 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)OCc2cccc(Cl)c2)CC1 ZINC001574694014 962662361 /nfs/dbraw/zinc/66/23/61/962662361.db2.gz XUHAPBKOXQPIQP-UHFFFAOYSA-N -1 0 325.792 3.553 20 0 EHADRM CC(C)c1cccc(OCC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC001588969443 962663440 /nfs/dbraw/zinc/66/34/40/962663440.db2.gz HLOBODQCGZTVJS-MRXNPFEDSA-N -1 0 335.444 3.585 20 0 EHADRM CCCOc1cccc(CC(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC000263508371 962689076 /nfs/dbraw/zinc/68/90/76/962689076.db2.gz BRHPAUDMVBWXGZ-UHFFFAOYSA-N -1 0 341.407 3.674 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)COCc2cccc(Cl)c2)c1 ZINC001574709918 962699415 /nfs/dbraw/zinc/69/94/15/962699415.db2.gz IXRRMKVKTOVDER-UHFFFAOYSA-N -1 0 347.798 3.513 20 0 EHADRM Cc1ccc(C(=O)N(C)C(C)(C)CC(=O)[O-])cc1Oc1ccncc1 ZINC001354052315 962705540 /nfs/dbraw/zinc/70/55/40/962705540.db2.gz STHUQLHKEQTLEI-UHFFFAOYSA-N -1 0 342.395 3.508 20 0 EHADRM Cc1cccc(Oc2ccccc2C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000263523821 962706251 /nfs/dbraw/zinc/70/62/51/962706251.db2.gz IROGSVWXQSWVQV-CABCVRRESA-N -1 0 339.391 3.770 20 0 EHADRM O=C([O-])c1cccc(C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000263552526 962726059 /nfs/dbraw/zinc/72/60/59/962726059.db2.gz XDKIISMWFQJUHO-SUMWQHHRSA-N -1 0 327.355 3.590 20 0 EHADRM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000263572137 962738286 /nfs/dbraw/zinc/73/82/86/962738286.db2.gz KMOGADROQMFJTJ-LSDHHAIUSA-N -1 0 327.380 3.695 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N[C@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000263581491 962747177 /nfs/dbraw/zinc/74/71/77/962747177.db2.gz XGCLGRVJIPDAIP-SCTDSRPQSA-N -1 0 335.403 3.568 20 0 EHADRM Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c(Cl)c1 ZINC001549040028 962944198 /nfs/dbraw/zinc/94/41/98/962944198.db2.gz GBAYUPGOYAHTQJ-HZPDHXFCSA-N -1 0 343.810 3.589 20 0 EHADRM O=C([O-])c1cnoc1COc1ccc(OCc2ccccc2)cc1 ZINC000304575454 963151077 /nfs/dbraw/zinc/15/10/77/963151077.db2.gz ITWCEZCIRRQUQW-UHFFFAOYSA-N -1 0 325.320 3.531 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1cccc(OCc2ccccc2)c1 ZINC000310081000 963380718 /nfs/dbraw/zinc/38/07/18/963380718.db2.gz CVWRXXZDYYMCOX-UHFFFAOYSA-N -1 0 327.380 3.849 20 0 EHADRM Cc1c(NC2CCC(NC(=O)OC(C)(C)C)CC2)cccc1C(=O)[O-] ZINC000310536273 963414944 /nfs/dbraw/zinc/41/49/44/963414944.db2.gz BOOVFRFXPFUYOT-UHFFFAOYSA-N -1 0 348.443 3.941 20 0 EHADRM O=C([O-])c1ccc(COc2ccc(Br)c(Cl)c2)o1 ZINC000313519825 963657533 /nfs/dbraw/zinc/65/75/33/963657533.db2.gz CMFPVKAUANQNRV-UHFFFAOYSA-N -1 0 331.549 3.973 20 0 EHADRM COc1ccc(CCC(=O)Nc2ccsc2C(=O)[O-])cc1Cl ZINC000314311085 963739828 /nfs/dbraw/zinc/73/98/28/963739828.db2.gz OEKJDQJOXGAXDN-UHFFFAOYSA-N -1 0 339.800 3.680 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)/C=C/c1ccc(Cl)s1 ZINC000314996089 963840551 /nfs/dbraw/zinc/84/05/51/963840551.db2.gz CUFIBRDHCNXQME-VQHVLOKHSA-N -1 0 335.812 3.772 20 0 EHADRM C[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1ncc(C(=O)[O-])s1 ZINC000315335636 963884048 /nfs/dbraw/zinc/88/40/48/963884048.db2.gz MZBDPHJUEDYORE-ZCFIWIBFSA-N -1 0 327.749 3.576 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCc2ccc(Cl)cc2Cl)cn1 ZINC000316735462 964049008 /nfs/dbraw/zinc/04/90/08/964049008.db2.gz HELIAIPRZBZZSS-UHFFFAOYSA-N -1 0 339.178 3.658 20 0 EHADRM C[C@H](Cc1cccs1)NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000316960434 964079408 /nfs/dbraw/zinc/07/94/08/964079408.db2.gz ZQKYHULJXBODCQ-SECBINFHSA-N -1 0 338.816 3.852 20 0 EHADRM CC[C@H](NCc1cc(=O)[nH]c(-c2ccccc2)n1)c1c(C)noc1C ZINC000459408023 1032073746 /nfs/dbraw/zinc/07/37/46/1032073746.db2.gz PTMOCMXRWPYVSH-INIZCTEOSA-N -1 0 338.411 3.695 20 0 EHADRM CCC(CC)(CNC(=O)c1ccc(-c2ccccc2F)o1)C(=O)[O-] ZINC000236892504 967780623 /nfs/dbraw/zinc/78/06/23/967780623.db2.gz YJXXVUKEPRQBNS-UHFFFAOYSA-N -1 0 333.359 3.707 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1ccc(OCC2CCCCC2)cc1 ZINC000262263384 967816632 /nfs/dbraw/zinc/81/66/32/967816632.db2.gz XVKCGSSGMRHVBQ-IAGOWNOFSA-N -1 0 331.412 3.695 20 0 EHADRM C[C@H](CN(C)C(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1)C(=O)[O-] ZINC000262922114 967831774 /nfs/dbraw/zinc/83/17/74/967831774.db2.gz FRBMYBDCZCGAJR-IUODEOHRSA-N -1 0 338.423 3.665 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)CCCc2ccc3ccccc3c2)C1 ZINC000263325443 967871800 /nfs/dbraw/zinc/87/18/00/967871800.db2.gz KLUVDCSWGSOOSC-KXBFYZLASA-N -1 0 339.435 3.732 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)CCCc2ccc3ccccc3c2)C1 ZINC000263325441 967871943 /nfs/dbraw/zinc/87/19/43/967871943.db2.gz KLUVDCSWGSOOSC-HNAYVOBHSA-N -1 0 339.435 3.732 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000315826876 967974015 /nfs/dbraw/zinc/97/40/15/967974015.db2.gz CULKXTMDRDVUQB-MRXNPFEDSA-N -1 0 344.238 3.639 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000315825850 967974301 /nfs/dbraw/zinc/97/43/01/967974301.db2.gz CULKXTMDRDVUQB-INIZCTEOSA-N -1 0 344.238 3.639 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Nc1ccc(Cl)c(F)c1 ZINC000315716319 967974409 /nfs/dbraw/zinc/97/44/09/967974409.db2.gz DJXNKGUIRSWYNX-NSHDSACASA-N -1 0 328.771 3.730 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2c(F)cccc2Cl)C1 ZINC000318636046 967993728 /nfs/dbraw/zinc/99/37/28/967993728.db2.gz RASMDYWUYGNYAI-HNNXBMFYSA-N -1 0 328.771 3.588 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)Nc1ccccc1Cc1ccccc1 ZINC000323925424 968026458 /nfs/dbraw/zinc/02/64/58/968026458.db2.gz WWXRIZZUYRWKAC-UHFFFAOYSA-N -1 0 326.396 3.606 20 0 EHADRM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)Nc1ccccc1C(=O)[O-] ZINC000323898553 968026836 /nfs/dbraw/zinc/02/68/36/968026836.db2.gz JJWPDBRPKNIOMT-LLVKDONJSA-N -1 0 330.306 3.580 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)/C=C\c1ccc(Cl)cc1 ZINC000324415849 968031951 /nfs/dbraw/zinc/03/19/51/968031951.db2.gz SBWKSIQLISQFOH-VOCYLRNQSA-N -1 0 341.794 3.564 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)[C@@H]1CSc2ccccc21 ZINC000325705159 968039712 /nfs/dbraw/zinc/03/97/12/968039712.db2.gz QDOCJTREMWVDRL-OAHLLOKOSA-N -1 0 339.416 3.554 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)c2cccc(F)c2F)CC1 ZINC000375365458 968062655 /nfs/dbraw/zinc/06/26/55/968062655.db2.gz GMWPNULGLRGPPE-UHFFFAOYSA-N -1 0 345.345 3.683 20 0 EHADRM COc1ccc(Cl)cc1C(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC000391811980 968192794 /nfs/dbraw/zinc/19/27/94/968192794.db2.gz GPZZGAACFMROJC-UHFFFAOYSA-N -1 0 345.782 3.640 20 0 EHADRM Cc1c(NC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)cccc1C(F)(F)F ZINC000517145680 968392283 /nfs/dbraw/zinc/39/22/83/968392283.db2.gz QASBVBMKPOJCHN-GXSJLCMTSA-N -1 0 344.333 3.588 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(OCc3ccccc3F)cc2)CCC1 ZINC000567391214 968433119 /nfs/dbraw/zinc/43/31/19/968433119.db2.gz WRAUBCFDFUCDSV-UHFFFAOYSA-N -1 0 343.354 3.598 20 0 EHADRM C[C@@H](CNC(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1)C(=O)[O-] ZINC000655883173 968704621 /nfs/dbraw/zinc/70/46/21/968704621.db2.gz VJNCPBLTLMBCFT-KBPBESRZSA-N -1 0 346.452 3.742 20 0 EHADRM C[C@H](NC(=O)C1(C(=O)[O-])CC=CC1)c1cccc(Cl)c1Cl ZINC000663035444 968765792 /nfs/dbraw/zinc/76/57/92/968765792.db2.gz GWVRSCUPHFWWJG-VIFPVBQESA-N -1 0 328.195 3.592 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)c1ccc([C@H]2CCCOC2)cc1)C(=O)[O-] ZINC000668289164 968851493 /nfs/dbraw/zinc/85/14/93/968851493.db2.gz QENMPJUXSAINOZ-IRXDYDNUSA-N -1 0 347.455 3.590 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cccn1C1CCCC1 ZINC000455914804 1032075410 /nfs/dbraw/zinc/07/54/10/1032075410.db2.gz YGQXMDBAXVCDAK-HNNXBMFYSA-N -1 0 340.423 3.719 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)Nc1ccc2c(c1)C(=O)CCC2)C(=O)[O-] ZINC000684750254 968873531 /nfs/dbraw/zinc/87/35/31/968873531.db2.gz WLEPRLCJRAJHKK-HNNXBMFYSA-N -1 0 346.427 3.607 20 0 EHADRM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000851601935 969274012 /nfs/dbraw/zinc/27/40/12/969274012.db2.gz YBJOKSWLIVUXEJ-DOTOQJQBSA-N -1 0 333.428 3.628 20 0 EHADRM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000851601936 969274221 /nfs/dbraw/zinc/27/42/21/969274221.db2.gz YBJOKSWLIVUXEJ-NVXWUHKLSA-N -1 0 333.428 3.628 20 0 EHADRM CCC(CC)(CNC(=O)N1C[C@@H]2CC[C@H]1c1ccccc12)C(=O)[O-] ZINC000898842926 969414970 /nfs/dbraw/zinc/41/49/70/969414970.db2.gz ZAIHEEXVKPVGBF-BBRMVZONSA-N -1 0 330.428 3.521 20 0 EHADRM Cc1c2occ(CC(=O)N3CCC(C)(C(=O)[O-])CC3)c2ccc1Cl ZINC000901703763 969462569 /nfs/dbraw/zinc/46/25/69/969462569.db2.gz DMWXYOYOLLLQCX-UHFFFAOYSA-N -1 0 349.814 3.650 20 0 EHADRM C[C@H](NC(=O)C1(C(=O)[O-])CCSCC1)c1cccc2ccccc21 ZINC000901799275 969477063 /nfs/dbraw/zinc/47/70/63/969477063.db2.gz QEADSGYWVHSOMN-ZDUSSCGKSA-N -1 0 343.448 3.615 20 0 EHADRM O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)c2ccccc2F)C1 ZINC000902829716 969571393 /nfs/dbraw/zinc/57/13/93/969571393.db2.gz FGQAJKMGVKVBPJ-CYBMUJFWSA-N -1 0 327.355 3.510 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001573388017 969809459 /nfs/dbraw/zinc/80/94/59/969809459.db2.gz HJLORFRUMLGRDH-XHVGKJTDSA-N -1 0 337.419 3.557 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2cc(F)cc(Cl)c2)CCCCC1 ZINC000318344112 970426582 /nfs/dbraw/zinc/42/65/82/970426582.db2.gz ZOYAYNJRGZPADW-UHFFFAOYSA-N -1 0 328.771 3.636 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCc1ccc(Cl)cc1Cl ZINC000318362152 970427999 /nfs/dbraw/zinc/42/79/99/970427999.db2.gz CALQWHSNJRDMEZ-ZYHUDNBSSA-N -1 0 344.238 3.638 20 0 EHADRM Cc1cc(C(=O)[O-])c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000318561895 970446561 /nfs/dbraw/zinc/44/65/61/970446561.db2.gz ATDZWXOZFCVTIZ-UHFFFAOYSA-N -1 0 340.744 3.569 20 0 EHADRM Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2Cl)sc1C(=O)[O-] ZINC000318788605 970473070 /nfs/dbraw/zinc/47/30/70/970473070.db2.gz YWFFFZYRRKKOHY-UHFFFAOYSA-N -1 0 340.744 3.569 20 0 EHADRM C[C@H]1C[C@@H](c2cccnc2)N(C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC001609847154 970550540 /nfs/dbraw/zinc/55/05/40/970550540.db2.gz SUKMXVRBSZLMQO-ZBEGNZNMSA-N -1 0 343.358 3.534 20 0 EHADRM Cc1cc(NC(=O)c2ccc(COC(C)C)cc2)sc1C(=O)[O-] ZINC000319907305 970588240 /nfs/dbraw/zinc/58/82/40/970588240.db2.gz CQFVWQCTYISPNC-UHFFFAOYSA-N -1 0 333.409 3.932 20 0 EHADRM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000320008496 970600854 /nfs/dbraw/zinc/60/08/54/970600854.db2.gz LYZYHFAVSDRPRD-SECBINFHSA-N -1 0 337.734 3.583 20 0 EHADRM O=C([O-])c1sc(NCCc2cccc3cccnc32)nc1Cl ZINC000320251793 970638619 /nfs/dbraw/zinc/63/86/19/970638619.db2.gz WNAGTSOIXQALBW-UHFFFAOYSA-N -1 0 333.800 3.698 20 0 EHADRM Cc1cc(NC(=O)CCCOc2ccc(C)cc2)sc1C(=O)[O-] ZINC000320336698 970650301 /nfs/dbraw/zinc/65/03/01/970650301.db2.gz NPTPHIIXIQMHJL-UHFFFAOYSA-N -1 0 333.409 3.861 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)Nc2ccc(Cl)cc2F)c1 ZINC000320357766 970653039 /nfs/dbraw/zinc/65/30/39/970653039.db2.gz BDWYZCPHOKWUSO-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cc3c(s2)CCCCCC3)n1 ZINC000320392287 970658374 /nfs/dbraw/zinc/65/83/74/970658374.db2.gz JTOINNFQBZJJRD-UHFFFAOYSA-N -1 0 330.409 3.753 20 0 EHADRM CC[C@@H](C)n1ncc(NC(=O)Nc2ccc(C(=O)[O-])cc2F)c1C ZINC001610133485 970681308 /nfs/dbraw/zinc/68/13/08/970681308.db2.gz RUACHSXIZKNBQP-SECBINFHSA-N -1 0 334.351 3.644 20 0 EHADRM CC(C)(C)c1csc(NC(=O)Nc2cccc(CC(=O)[O-])c2)n1 ZINC000321145016 970748457 /nfs/dbraw/zinc/74/84/57/970748457.db2.gz FMYADOUOVMVFDQ-UHFFFAOYSA-N -1 0 333.413 3.712 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])C(C)C ZINC001600010100 970748893 /nfs/dbraw/zinc/74/88/93/970748893.db2.gz VYTULPVDNHIYJA-LZWOXQAQSA-N -1 0 329.396 3.665 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@H](C)Cc2ccccc2Cl)c1 ZINC001600108164 970760998 /nfs/dbraw/zinc/76/09/98/970760998.db2.gz PENMIYOMUFTPER-GFCCVEGCSA-N -1 0 331.799 3.708 20 0 EHADRM O=C([O-])[C@@H]1Cc2ccccc2N(C(=O)c2ccccc2C(F)(F)F)C1 ZINC000393025500 972556098 /nfs/dbraw/zinc/55/60/98/972556098.db2.gz SGIGZDSYGVVVCJ-GFCCVEGCSA-N -1 0 349.308 3.609 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN1C(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC001603292989 972562311 /nfs/dbraw/zinc/56/23/11/972562311.db2.gz SNRHZBSNRHNWJD-LJQANCHMSA-N -1 0 343.354 3.697 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2c(Cl)cc(Cl)cc2Cl)C1 ZINC001605833915 972569586 /nfs/dbraw/zinc/56/95/86/972569586.db2.gz STPGEYPBETZPHB-SVRRBLITSA-N -1 0 336.602 3.630 20 0 EHADRM O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605851800 972599380 /nfs/dbraw/zinc/59/93/80/972599380.db2.gz SQNOKQJJGDOBJB-VDISTLRHSA-N -1 0 346.333 3.617 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCc1ccc(OC2CCCCC2)cc1 ZINC001603320413 972635557 /nfs/dbraw/zinc/63/55/57/972635557.db2.gz FPSBURWIQVPKCX-FQEVSTJZSA-N -1 0 345.439 3.515 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)c1ocnc1C(F)F)CCCC2 ZINC001605878646 972660216 /nfs/dbraw/zinc/66/02/16/972660216.db2.gz IARYSPXBWNJPKS-UHFFFAOYSA-N -1 0 342.323 3.503 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccc(C(=O)[O-])cc2F)[C@@H]1c1cccnc1 ZINC001603329342 972691836 /nfs/dbraw/zinc/69/18/36/972691836.db2.gz JOURWSGUTUGKHM-OAHLLOKOSA-N -1 0 343.358 3.534 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccc(C)cc3C)s2)o1 ZINC000538008946 1032079523 /nfs/dbraw/zinc/07/95/23/1032079523.db2.gz ISEBNUPXYJKOEH-UHFFFAOYSA-N -1 0 349.437 3.524 20 0 EHADRM Cc1c(NCC(C)(C)C)cccc1C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC001605091256 972736327 /nfs/dbraw/zinc/73/63/27/972736327.db2.gz GNJQMOQOTNEXQA-INIZCTEOSA-N -1 0 332.444 3.532 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12)c1ccc(F)cc1 ZINC001605903150 972742474 /nfs/dbraw/zinc/74/24/74/972742474.db2.gz FPTWQIJILLQWME-WBQNTZJQSA-N -1 0 333.403 3.674 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 ZINC000396367688 972867547 /nfs/dbraw/zinc/86/75/47/972867547.db2.gz ANYCBGFONLOFAM-NEPJUHHUSA-N -1 0 347.798 3.934 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)s1 ZINC000396426237 972880722 /nfs/dbraw/zinc/88/07/22/972880722.db2.gz GSXMNAAJIGKBHH-AAEUAGOBSA-N -1 0 346.452 3.997 20 0 EHADRM CCOc1cccc(NC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c1 ZINC000396432339 972883176 /nfs/dbraw/zinc/88/31/76/972883176.db2.gz JCDFNDSBTDPZAN-LBPRGKRZSA-N -1 0 328.368 3.917 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cc(Cl)ncc2Cl)cc1 ZINC000396436831 972886047 /nfs/dbraw/zinc/88/60/47/972886047.db2.gz LRAPRAJMGNZLBW-QMMMGPOBSA-N -1 0 339.178 3.829 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CCc3sccc3C2)cc1 ZINC000396488041 972904199 /nfs/dbraw/zinc/90/41/99/972904199.db2.gz JUFMLXKIPKNFOI-LLVKDONJSA-N -1 0 330.409 3.526 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2csc(-c3ccco3)n2)cc1 ZINC000396498093 972906473 /nfs/dbraw/zinc/90/64/73/972906473.db2.gz MZGFILYOHCGKEU-JTQLQIEISA-N -1 0 342.376 3.844 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NC(C)(C)c2ccccc2)cc1 ZINC000396615078 972923367 /nfs/dbraw/zinc/92/33/67/972923367.db2.gz IPPQFHFHBHLHQF-ZDUSSCGKSA-N -1 0 326.396 3.932 20 0 EHADRM Cc1ccc(SCC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cc1 ZINC000396636755 972925753 /nfs/dbraw/zinc/92/57/53/972925753.db2.gz PATVLIGHYFALSJ-CYBMUJFWSA-N -1 0 329.421 3.914 20 0 EHADRM Cc1ccccc1CN(C)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000396659365 972931605 /nfs/dbraw/zinc/93/16/05/972931605.db2.gz XQORMWDKEWMIAD-CQSZACIVSA-N -1 0 326.396 3.847 20 0 EHADRM Cc1ccc(-c2cnc(NC(=O)N3CCC[C@@H]3C(=O)[O-])s2)c(C)c1 ZINC001605231961 972983850 /nfs/dbraw/zinc/98/38/50/972983850.db2.gz STWWMROTQKKUAX-CYBMUJFWSA-N -1 0 345.424 3.508 20 0 EHADRM Cc1ccc(C(C)(C)CNC(=O)NC[C@H](CC(C)C)C(=O)[O-])c(C)c1 ZINC001605256289 973025136 /nfs/dbraw/zinc/02/51/36/973025136.db2.gz RHZNRESEJNXKAR-INIZCTEOSA-N -1 0 348.487 3.627 20 0 EHADRM C[C@@H]1CC[C@@](C)(/C=C/C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1(C)C ZINC001603395554 973033036 /nfs/dbraw/zinc/03/30/36/973033036.db2.gz ZZHOQTGKNUPFGX-NBEMZOPKSA-N -1 0 333.472 3.574 20 0 EHADRM Cc1ccc(CN(C(=O)Nc2cc(C(=O)[O-])ccn2)C2CC2)cc1C ZINC001605273300 973059385 /nfs/dbraw/zinc/05/93/85/973059385.db2.gz ZHCPNQFAUOLNSG-UHFFFAOYSA-N -1 0 339.395 3.593 20 0 EHADRM Cc1ccc(CNC(=O)[C@]2(C(=O)[O-])CC=CCC2)c(OC(C)(C)C)c1 ZINC001605273309 973059839 /nfs/dbraw/zinc/05/98/39/973059839.db2.gz AAUIWTFRUBDBJZ-FQEVSTJZSA-N -1 0 345.439 3.600 20 0 EHADRM Cc1ccc(CN(C)C(=O)NC[C@H](CC(=O)[O-])CC(C)C)cc1C ZINC001605273272 973060529 /nfs/dbraw/zinc/06/05/29/973060529.db2.gz UOJGINZZUCMZLT-KRWDZBQOSA-N -1 0 334.460 3.582 20 0 EHADRM C[C@@H]1CCCN(C(=O)CCCc2ccc(C3CC3)cc2)[C@@H]1C(=O)[O-] ZINC001603407693 973073670 /nfs/dbraw/zinc/07/36/70/973073670.db2.gz OLFYXJFXAXMYJM-KUHUBIRLSA-N -1 0 329.440 3.598 20 0 EHADRM Cc1ccc(F)c(NCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)c1 ZINC001605281921 973074780 /nfs/dbraw/zinc/07/47/80/973074780.db2.gz ATKGILDPPGLGSW-CYBMUJFWSA-N -1 0 332.375 3.640 20 0 EHADRM Cc1ccc(OC(=O)c2coc(C=CC(=O)[O-])c2)c2c1[C@H](C)CC2=O ZINC001605297057 973111407 /nfs/dbraw/zinc/11/14/07/973111407.db2.gz UJINLTXJGYHANS-VLWUPBBWSA-N -1 0 340.331 3.595 20 0 EHADRM C[C@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C[C@@H]1C(=O)[O-] ZINC001603416633 973117289 /nfs/dbraw/zinc/11/72/89/973117289.db2.gz VOLWWFDNFUCILR-BBRMVZONSA-N -1 0 349.858 3.721 20 0 EHADRM Cc1cccc([C@@H](NC(=O)CCCCc2ccccc2)C(=O)[O-])c1 ZINC001605329669 973200694 /nfs/dbraw/zinc/20/06/94/973200694.db2.gz XVDXHAJWIJUQSE-LJQANCHMSA-N -1 0 325.408 3.650 20 0 EHADRM O=C([O-])CC1(C(=O)Oc2cccc(C3CCCC3)c2)CCOCC1 ZINC001606078024 973237092 /nfs/dbraw/zinc/23/70/92/973237092.db2.gz UEMJLJXVENHUJZ-UHFFFAOYSA-N -1 0 332.396 3.521 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)Nc2cccc3c(Cl)nccc23)C1 ZINC001606089398 973251594 /nfs/dbraw/zinc/25/15/94/973251594.db2.gz KLCVLSYTAZRQCT-NSHDSACASA-N -1 0 347.802 3.607 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)CCSc1ccccc1Cl)C(=O)[O-] ZINC000400483607 973288298 /nfs/dbraw/zinc/28/82/98/973288298.db2.gz DXTXAAOIQBBWAL-WCQYABFASA-N -1 0 343.876 3.828 20 0 EHADRM CCCc1sc(C(=O)N[C@@H](C[C@H](C)CC)C(=O)[O-])cc1CC ZINC000400741236 973310915 /nfs/dbraw/zinc/31/09/15/973310915.db2.gz SIXUGALJKBFOGJ-YPMHNXCESA-N -1 0 325.474 3.882 20 0 EHADRM CC(C)=CCC[C@H](C)CC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000400803088 973316674 /nfs/dbraw/zinc/31/66/74/973316674.db2.gz ZXECKQNWMVRFRA-MAUKXSAKSA-N -1 0 329.440 3.970 20 0 EHADRM CO[C@](C)(C(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2)c(Cl)c1 ZINC001604464644 973337867 /nfs/dbraw/zinc/33/78/67/973337867.db2.gz YGWOWSKKQHOKKU-KRWDZBQOSA-N -1 0 349.770 3.561 20 0 EHADRM C[C@@H]1CSc2ccccc2N1C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001603476475 973371169 /nfs/dbraw/zinc/37/11/69/973371169.db2.gz WWJCYHDSEIDTSJ-JMEBYUIHSA-N -1 0 329.377 3.518 20 0 EHADRM O=C([O-])CCCCNC(=O)c1cc(Cl)c2cc(Cl)ccc2n1 ZINC001606165820 973415142 /nfs/dbraw/zinc/41/51/42/973415142.db2.gz MQWJSATZMZCIRG-UHFFFAOYSA-N -1 0 341.194 3.526 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)NC2(c3cccc(F)c3)CC2)c1 ZINC001606209942 973453687 /nfs/dbraw/zinc/45/36/87/973453687.db2.gz CPMWJXZGJLUDIK-UHFFFAOYSA-N -1 0 342.370 3.654 20 0 EHADRM CCC(C)(C)c1ccc(CNC(=O)NC[C@@H](C(=O)[O-])C(C)C)cc1 ZINC001603509113 973497558 /nfs/dbraw/zinc/49/75/58/973497558.db2.gz ZVBKWLXGSSZRQK-MRXNPFEDSA-N -1 0 334.460 3.530 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)Nc2cccc(CC(=O)[O-])c2)n1 ZINC001603516007 973527370 /nfs/dbraw/zinc/52/73/70/973527370.db2.gz ITZAIWGAUSGRNE-GFCCVEGCSA-N -1 0 343.383 3.530 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N(C)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001603520147 973546258 /nfs/dbraw/zinc/54/62/58/973546258.db2.gz PTIRVXFPENFLJQ-HZPDHXFCSA-N -1 0 347.455 3.582 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001603523280 973558409 /nfs/dbraw/zinc/55/84/09/973558409.db2.gz IWXSCXNLVBNRMB-LLVKDONJSA-N -1 0 345.361 3.644 20 0 EHADRM CCC(CC)(CNC(=O)N1CCC(CCC(C)C)CC1)C(=O)[O-] ZINC001603533808 973584215 /nfs/dbraw/zinc/58/42/15/973584215.db2.gz FXGAWIDJDKTTKJ-UHFFFAOYSA-N -1 0 326.481 3.735 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)Nc1ccc2c(c1)CCCCC2 ZINC000404693819 973743083 /nfs/dbraw/zinc/74/30/83/973743083.db2.gz KMNGDELASKJJBX-INIZCTEOSA-N -1 0 332.444 3.966 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CCC3(CC3(F)F)CC2)ccc1Cl ZINC000405162253 973770691 /nfs/dbraw/zinc/77/06/91/973770691.db2.gz HJMKBAJXKJYLBQ-UHFFFAOYSA-N -1 0 344.745 3.691 20 0 EHADRM O=C([O-])C[C@@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000405250135 973802565 /nfs/dbraw/zinc/80/25/65/973802565.db2.gz KBISQEBCUNOVLH-GZMMTYOYSA-N -1 0 332.278 3.669 20 0 EHADRM CC[C@@H](c1nnc(NC([O-])=NOCC(C)C)s1)c1ccccc1 ZINC000160145972 1014143189 /nfs/dbraw/zinc/14/31/89/1014143189.db2.gz GQWOFHSUNKIYBP-CYBMUJFWSA-N -1 0 334.445 3.789 20 0 EHADRM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2nccs2)c1Cl ZINC000060948696 1027019191 /nfs/dbraw/zinc/01/91/91/1027019191.db2.gz RMLLGRCFVYWGDA-UHFFFAOYSA-N -1 0 337.253 3.868 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC000405540973 973895657 /nfs/dbraw/zinc/89/56/57/973895657.db2.gz RZARBISIHIAZIK-OSAQELSMSA-N -1 0 338.835 3.686 20 0 EHADRM O=C([O-])c1c(-c2ccsc2)csc1NC(=O)[C@@H]1CCCCO1 ZINC001606458660 973902584 /nfs/dbraw/zinc/90/25/84/973902584.db2.gz HIEMRCVGHQCQDH-NSHDSACASA-N -1 0 337.422 3.682 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)[C@H]2Cc3ccc(F)cc32)c1Cl ZINC001606458987 973904890 /nfs/dbraw/zinc/90/48/90/973904890.db2.gz PLVPHTUHYMUNNS-JTQLQIEISA-N -1 0 337.709 3.595 20 0 EHADRM O=C([O-])CCCCCNC(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000414624059 973942592 /nfs/dbraw/zinc/94/25/92/973942592.db2.gz XQNIFPFBCKACRB-SFHVURJKSA-N -1 0 332.444 3.862 20 0 EHADRM CC(C)(C)[C@H](NC(=O)NCCCCCC(=O)[O-])c1ccc(F)cc1 ZINC000414617228 973942914 /nfs/dbraw/zinc/94/29/14/973942914.db2.gz RAYCUMXZZADVSG-MRXNPFEDSA-N -1 0 338.423 3.857 20 0 EHADRM CCCC(=O)Nc1cccc(NC(=O)C2(C(=O)[O-])CCCCC2)c1C ZINC001603628085 973943029 /nfs/dbraw/zinc/94/30/29/973943029.db2.gz TVDRDZDQBKFWDA-UHFFFAOYSA-N -1 0 346.427 3.707 20 0 EHADRM O=C([O-])CC[C@@H](NCc1ncc(C(F)(F)F)s1)c1ccccc1 ZINC000417602954 973963396 /nfs/dbraw/zinc/96/33/96/973963396.db2.gz PYEDGFAQJRGYCS-LLVKDONJSA-N -1 0 344.358 3.858 20 0 EHADRM CCC[C@H](Cc1ccccc1)NC(=O)NCc1ccccc1C(=O)[O-] ZINC001603634131 973968434 /nfs/dbraw/zinc/96/84/34/973968434.db2.gz YIIQJQBYMSLUIA-QGZVFWFLSA-N -1 0 340.423 3.595 20 0 EHADRM COc1ccc(C)cc1[C@H](C)NC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001604773095 973997218 /nfs/dbraw/zinc/99/72/18/973997218.db2.gz AZBXBZPFZTWQFU-AWEZNQCLSA-N -1 0 333.428 3.606 20 0 EHADRM COc1ccc(CC(C)(C)NC(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC001604780567 974011981 /nfs/dbraw/zinc/01/19/81/974011981.db2.gz WQOCRWJYLQICHL-UHFFFAOYSA-N -1 0 342.395 3.536 20 0 EHADRM CCC(CC)(Cc1nc2ccccc2s1)C(=O)N[C@@H](C)CC(=O)[O-] ZINC000427735998 974057988 /nfs/dbraw/zinc/05/79/88/974057988.db2.gz USHVZHDZECZYFI-LBPRGKRZSA-N -1 0 348.468 3.625 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)c1cncc2ccccc21)C(=O)[O-] ZINC000431447659 974065679 /nfs/dbraw/zinc/06/56/79/974065679.db2.gz HWVMSIBVGCQACX-OAHLLOKOSA-N -1 0 348.402 3.598 20 0 EHADRM Cc1cc(C)c(CC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c(C)c1 ZINC000431654633 974071498 /nfs/dbraw/zinc/07/14/98/974071498.db2.gz ROPQGJNZHAWAFF-JXFKEZNVSA-N -1 0 339.435 3.733 20 0 EHADRM Cc1cccc(C[C@H](CNC(=O)C(C)(C)C2CCCC2)C(=O)[O-])c1 ZINC000431685831 974071981 /nfs/dbraw/zinc/07/19/81/974071981.db2.gz LJPLEXCWRYOUNB-MRXNPFEDSA-N -1 0 331.456 3.571 20 0 EHADRM O=C(C[C@@H]1CC[C@H](C2CC2)O1)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001605669579 974075319 /nfs/dbraw/zinc/07/53/19/974075319.db2.gz KMKLVRYEWGHADC-WCQYABFASA-N -1 0 349.452 3.611 20 0 EHADRM CO[C@@H](C)c1nc(C)c(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)s1 ZINC000431972284 974078340 /nfs/dbraw/zinc/07/83/40/974078340.db2.gz JIYNSBCPTHLPTG-NSHDSACASA-N -1 0 348.424 3.726 20 0 EHADRM Cc1ccc(-c2ncco2)cc1NC(=O)c1ccc(C(=O)[O-])s1 ZINC000432102202 974086762 /nfs/dbraw/zinc/08/67/62/974086762.db2.gz HXEZDLPYZBEUCI-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM O=C([O-])c1cc(NC(=O)CC[C@@H]2CCc3ccccc32)ccc1O ZINC001605677060 974089824 /nfs/dbraw/zinc/08/98/24/974089824.db2.gz HYLOOYPHAWQFOK-ZDUSSCGKSA-N -1 0 325.364 3.539 20 0 EHADRM Cc1[nH]c2ccc(C(=O)N[C@@]3(C)CCCC[C@H]3C(=O)[O-])cc2c1C ZINC000432137439 974092448 /nfs/dbraw/zinc/09/24/48/974092448.db2.gz DPADCKLBRVEFQY-KXBFYZLASA-N -1 0 328.412 3.548 20 0 EHADRM C[C@H](C(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1)c1ccccc1 ZINC000439892754 974111623 /nfs/dbraw/zinc/11/16/23/974111623.db2.gz IRKIXRCJEVCBCO-ZDUSSCGKSA-N -1 0 331.799 3.557 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)Cc1cc(Cl)ccc1Cl ZINC001605709648 974139994 /nfs/dbraw/zinc/13/99/94/974139994.db2.gz TWEGAIUSRNYXCQ-UHFFFAOYSA-N -1 0 338.190 3.551 20 0 EHADRM CCN(C(=O)Nc1ccc(OCCC(C)C)c(F)c1)[C@@H](C)C(=O)[O-] ZINC001603717238 974146772 /nfs/dbraw/zinc/14/67/72/974146772.db2.gz VRSQUZJUWAVKJO-LBPRGKRZSA-N -1 0 340.395 3.578 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)Oc1ccc(-c2cscn2)cc1 ZINC001605719520 974151823 /nfs/dbraw/zinc/15/18/23/974151823.db2.gz FIHSQQQNGCVYFJ-UHFFFAOYSA-N -1 0 339.372 3.656 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N[C@@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000455894504 974164445 /nfs/dbraw/zinc/16/44/45/974164445.db2.gz BOQWWPHNNOJJFN-GUYCJALGSA-N -1 0 345.826 3.710 20 0 EHADRM Cc1cc(C)c(C(=O)N[C@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])c(C)c1 ZINC000455931102 974172041 /nfs/dbraw/zinc/17/20/41/974172041.db2.gz IPALLHYESIKWDJ-SJLPKXTDSA-N -1 0 339.435 3.674 20 0 EHADRM C[C@@H](CC1CCCCC1)C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000486021974 974244038 /nfs/dbraw/zinc/24/40/38/974244038.db2.gz WYKFEKYJDQYTMR-KSSFIOAISA-N -1 0 329.440 3.804 20 0 EHADRM O=C([O-])c1cccc(NC(=O)CCc2ccc(-c3ccccc3)[nH]2)c1 ZINC000512258023 974284803 /nfs/dbraw/zinc/28/48/03/974284803.db2.gz GWMZAALHFPAEHU-UHFFFAOYSA-N -1 0 334.375 3.951 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 ZINC000517962134 974321355 /nfs/dbraw/zinc/32/13/55/974321355.db2.gz RJKXIJFUTCZJPH-HZPDHXFCSA-N -1 0 339.435 3.824 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC(=Cc3cccc(F)c3)CC2)s1 ZINC000532555246 974374638 /nfs/dbraw/zinc/37/46/38/974374638.db2.gz VZQNCNQPPYNKTE-UHFFFAOYSA-N -1 0 345.395 3.905 20 0 EHADRM CCOc1cccc(/C=C\C(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC001603876117 974378966 /nfs/dbraw/zinc/37/89/66/974378966.db2.gz XFKXIFSFPKXHLH-TWGQIWQCSA-N -1 0 329.327 3.575 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CCCC2(C1)CCCCCC2 ZINC000538576026 974391195 /nfs/dbraw/zinc/39/11/95/974391195.db2.gz AURJKBVTKHZNBW-UHFFFAOYSA-N -1 0 329.440 3.890 20 0 EHADRM CCC1CCC(N(C(=O)Cc2cccc(C(=O)[O-])c2)C2CC2)CC1 ZINC000539684326 974400946 /nfs/dbraw/zinc/40/09/46/974400946.db2.gz SHMJZYWPBPXYOX-UHFFFAOYSA-N -1 0 329.440 3.887 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C ZINC000540713594 974406495 /nfs/dbraw/zinc/40/64/95/974406495.db2.gz AIUIXBLNZMTEMA-GFCCVEGCSA-N -1 0 341.835 3.565 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)NC(CC)(CC)CC(=O)[O-] ZINC000540712940 974406717 /nfs/dbraw/zinc/40/67/17/974406717.db2.gz OEVITTSSHVPCIR-CQSZACIVSA-N -1 0 335.444 3.729 20 0 EHADRM O=C([O-])c1cccc(CC(=O)NC2(c3ccc(F)cc3)CCCC2)c1 ZINC000540776492 974408294 /nfs/dbraw/zinc/40/82/94/974408294.db2.gz IIKISOBNCHOJGE-UHFFFAOYSA-N -1 0 341.382 3.652 20 0 EHADRM CN(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1C(=O)[O-] ZINC000540776003 974408483 /nfs/dbraw/zinc/40/84/83/974408483.db2.gz XFYSMPKXUXMAPU-UHFFFAOYSA-N -1 0 331.799 3.629 20 0 EHADRM CC[C@@H]1CC[C@@H](C)N(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)C1 ZINC001603918774 974414756 /nfs/dbraw/zinc/41/47/56/974414756.db2.gz MNNYKSZGIRZYDR-UTJXIGIESA-N -1 0 330.428 3.520 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)CCCc1ccc2c(c1)CCCC2)C(=O)[O-] ZINC001603926211 974417566 /nfs/dbraw/zinc/41/75/66/974417566.db2.gz JWEYSDKVKCKUNH-LIRRHRJNSA-N -1 0 331.456 3.504 20 0 EHADRM CCc1ccc(C(C)(C)NC(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC001603968771 974452745 /nfs/dbraw/zinc/45/27/45/974452745.db2.gz PMPFASGICZQICY-UHFFFAOYSA-N -1 0 340.423 3.682 20 0 EHADRM CCc1ccc(N(CC(C)C)C(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)cc1 ZINC001603974868 974461136 /nfs/dbraw/zinc/46/11/36/974461136.db2.gz LYCITBWSENIMIB-FUHWJXTLSA-N -1 0 347.455 3.508 20 0 EHADRM CCc1[nH]nc(NC(=O)c2ccc(C(=O)[O-])cc2)c1-c1cccs1 ZINC001603980970 974479932 /nfs/dbraw/zinc/47/99/32/974479932.db2.gz UPTJKXPZXVPGCZ-UHFFFAOYSA-N -1 0 341.392 3.651 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)s1 ZINC000554053638 974482737 /nfs/dbraw/zinc/48/27/37/974482737.db2.gz SRMOZIDAGFCRNS-UHFFFAOYSA-N -1 0 345.298 3.640 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)c3ccc(C(=O)[O-])cn3)cn2)cc1 ZINC000556674035 974489473 /nfs/dbraw/zinc/48/94/73/974489473.db2.gz BGZFEDBXRMZTML-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM CCc1oc2ccccc2c1CC(=O)N1CCC[C@@](CC)(C(=O)[O-])C1 ZINC001603997436 974500100 /nfs/dbraw/zinc/50/01/00/974500100.db2.gz CHAOSWQQFBZXQC-HXUWFJFHSA-N -1 0 343.423 3.641 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000561450850 974503680 /nfs/dbraw/zinc/50/36/80/974503680.db2.gz VBPUTOSREZOVKW-INIZCTEOSA-N -1 0 331.456 3.939 20 0 EHADRM O=C([O-])CC1(CNC(=O)CCc2ccc3[nH]ccc3c2)CCCCC1 ZINC000562398359 974506662 /nfs/dbraw/zinc/50/66/62/974506662.db2.gz DACSKBXIPCEUJX-UHFFFAOYSA-N -1 0 342.439 3.642 20 0 EHADRM O=C([O-])C[C@@H]1CSCC[N@@H+]1Cc1ccc(Cl)c2ccccc12 ZINC000563278566 974524360 /nfs/dbraw/zinc/52/43/60/974524360.db2.gz SVDSTBALTSPDNY-CYBMUJFWSA-N -1 0 335.856 3.885 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN1CCO[C@H](c2ccc(CC)cc2)C1 ZINC000564660856 974551578 /nfs/dbraw/zinc/55/15/78/974551578.db2.gz JESAZVIHKLDUPR-IBGZPJMESA-N -1 0 343.423 3.676 20 0 EHADRM COc1ccc([C@H]2CCCCCN2C(=O)C[C@H](C)CC(=O)[O-])cc1 ZINC000566807328 974622176 /nfs/dbraw/zinc/62/21/76/974622176.db2.gz MNZYFASQVNJBSO-WMLDXEAASA-N -1 0 333.428 3.640 20 0 EHADRM O=C([O-])c1cccc(Cl)c1CN1CCO[C@H](c2cccs2)C1 ZINC000566920710 974624438 /nfs/dbraw/zinc/62/44/38/974624438.db2.gz RUEWJUBJSNAPDG-AWEZNQCLSA-N -1 0 337.828 3.673 20 0 EHADRM C[C@H]1CCN(Cc2csc(CCc3ccccc3)n2)[C@H](C(=O)[O-])C1 ZINC000567117761 974628656 /nfs/dbraw/zinc/62/86/56/974628656.db2.gz SKHBLRWMXSUFID-YOEHRIQHSA-N -1 0 344.480 3.613 20 0 EHADRM Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)C[C@H](C)CC(=O)[O-] ZINC000567366982 974633064 /nfs/dbraw/zinc/63/30/64/974633064.db2.gz PTUJXMNXAAMPOE-NWDGAFQWSA-N -1 0 346.452 3.797 20 0 EHADRM Cc1ccccc1[C@H](C(=O)[O-])N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000568066329 974659243 /nfs/dbraw/zinc/65/92/43/974659243.db2.gz XLPRCPFQDHLWSS-NIKGAXFTSA-N -1 0 343.398 3.722 20 0 EHADRM CC(C)Nc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000570292243 974708782 /nfs/dbraw/zinc/70/87/82/974708782.db2.gz IMCGHYGWJUTOFJ-NEPJUHHUSA-N -1 0 338.835 3.990 20 0 EHADRM Cc1nc(-c2ccccc2)sc1C(=O)N(C)[C@@H](CC(C)C)C(=O)[O-] ZINC000571896676 974737766 /nfs/dbraw/zinc/73/77/66/974737766.db2.gz IPMUDWBBKKSSEN-AWEZNQCLSA-N -1 0 346.452 3.690 20 0 EHADRM Cc1csc2nc(C)nc(N[C@@H](C)c3ncc(C(=O)[O-])s3)c12 ZINC000572123934 974741903 /nfs/dbraw/zinc/74/19/03/974741903.db2.gz BBXTZCGJOURAHN-ZETCQYMHSA-N -1 0 334.426 3.636 20 0 EHADRM O=C([O-])[C@@H](c1c(F)cccc1Cl)N1CCO[C@@H](c2ccccc2)C1 ZINC000576046182 974806940 /nfs/dbraw/zinc/80/69/40/974806940.db2.gz BXOFAQLMOHCWSG-NVXWUHKLSA-N -1 0 349.789 3.678 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CN1C[C@H](c2ccccc2)OC[C@H]1C ZINC000577737496 974841475 /nfs/dbraw/zinc/84/14/75/974841475.db2.gz UQQDQFACETVTIV-MLGOLLRUSA-N -1 0 331.437 3.717 20 0 EHADRM C[C@@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000578756517 974861500 /nfs/dbraw/zinc/86/15/00/974861500.db2.gz WXEZQWOIXVJPQN-GTNSWQLSSA-N -1 0 337.370 3.679 20 0 EHADRM Cc1cc(C)c(C(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)c(C)c1 ZINC000579127795 974869321 /nfs/dbraw/zinc/86/93/21/974869321.db2.gz BAQQUOCIXYMKFV-UHFFFAOYSA-N -1 0 338.407 3.512 20 0 EHADRM C[C@@H](CN(Cc1ncc(C(C)(C)C)o1)Cc1ccccc1)C(=O)[O-] ZINC000581553783 974912082 /nfs/dbraw/zinc/91/20/82/974912082.db2.gz FWWKYMLZHSEGQB-AWEZNQCLSA-N -1 0 330.428 3.695 20 0 EHADRM C[C@@H](NCc1cc(C(F)(F)F)ccc1F)c1ncc(C(=O)[O-])s1 ZINC000584113941 974950563 /nfs/dbraw/zinc/95/05/63/974950563.db2.gz QRMVVDXSWOVTDZ-SSDOTTSWSA-N -1 0 348.321 3.850 20 0 EHADRM O=C([O-])[C@H](c1cccnc1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000584296788 974952826 /nfs/dbraw/zinc/95/28/26/974952826.db2.gz IOEFNWOIJRDTME-HNNXBMFYSA-N -1 0 337.206 3.572 20 0 EHADRM O=S(=O)([N-]c1ccc(Oc2ccccc2)cn1)c1ccc(F)cc1 ZINC000261409343 1014226995 /nfs/dbraw/zinc/22/69/95/1014226995.db2.gz RMCCFVYETFEGBG-UHFFFAOYSA-N -1 0 344.367 3.814 20 0 EHADRM C[C@@H](CC(=O)Nc1cccc(CSCC(=O)[O-])c1)c1ccco1 ZINC000600869274 975007701 /nfs/dbraw/zinc/00/77/01/975007701.db2.gz KVBNUWCDTYDKIP-LBPRGKRZSA-N -1 0 333.409 3.730 20 0 EHADRM C[C@H](CC(=O)N1CCc2c(cccc2C(=O)[O-])C1)C1CCCCC1 ZINC000621578740 975039224 /nfs/dbraw/zinc/03/92/24/975039224.db2.gz FUMAFLLMJILXTC-CQSZACIVSA-N -1 0 329.440 3.876 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000621602824 975055054 /nfs/dbraw/zinc/05/50/54/975055054.db2.gz CKICTANACYHTGN-UHFFFAOYSA-N -1 0 341.338 3.607 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(C3CCOCC3)cc2)cc1 ZINC000630099649 975100628 /nfs/dbraw/zinc/10/06/28/975100628.db2.gz AUFKBKZORKEARZ-UHFFFAOYSA-N -1 0 325.364 3.531 20 0 EHADRM Cc1cc(C(=O)N(C)[C@H](C)Cc2ccc(Cl)cc2)oc1C(=O)[O-] ZINC000630119766 975109471 /nfs/dbraw/zinc/10/94/71/975109471.db2.gz NMYSEOCOYUKNNO-LLVKDONJSA-N -1 0 335.787 3.643 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)[C@@H]1CCCC12CC2 ZINC000630137615 975122028 /nfs/dbraw/zinc/12/20/28/975122028.db2.gz SPIFEYJOXVSQPY-ZDUSSCGKSA-N -1 0 329.421 3.796 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c(C2CC2)n1 ZINC000630142906 975126560 /nfs/dbraw/zinc/12/65/60/975126560.db2.gz OUSURVGRVRREQK-UHFFFAOYSA-N -1 0 338.407 3.882 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)c1 ZINC000630144900 975128350 /nfs/dbraw/zinc/12/83/50/975128350.db2.gz SLRBKXMFGKIVAN-IAGOWNOFSA-N -1 0 327.355 3.585 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@@H](C)Cc1cncc2ccccc21 ZINC000630148138 975129334 /nfs/dbraw/zinc/12/93/34/975129334.db2.gz LMLVTFOKEGPZRC-AWEZNQCLSA-N -1 0 342.439 3.563 20 0 EHADRM CCC[C@H](NC(=O)c1cc(C)c(C(=O)[O-])o1)c1ccc(F)cc1F ZINC000630154282 975131931 /nfs/dbraw/zinc/13/19/31/975131931.db2.gz WNOOOOFGIMHBIU-ZDUSSCGKSA-N -1 0 337.322 3.836 20 0 EHADRM CCc1ccc(F)cc1C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000630163508 975138136 /nfs/dbraw/zinc/13/81/36/975138136.db2.gz WZZCKGCULPZMEI-GFCCVEGCSA-N -1 0 329.371 3.904 20 0 EHADRM Cc1cccc(CO[C@H](C)C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c1 ZINC000630193070 975152100 /nfs/dbraw/zinc/15/21/00/975152100.db2.gz AUEKLCWRMHAQFY-HUUCEWRRSA-N -1 0 341.407 3.727 20 0 EHADRM CCOc1cccc(CCC(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c1 ZINC000630194328 975152666 /nfs/dbraw/zinc/15/26/66/975152666.db2.gz NBHHHRHHQGMBPN-CQSZACIVSA-N -1 0 341.407 3.845 20 0 EHADRM CC[C@H](CC(=O)NCc1ccc(CC(=O)[O-])cc1)c1ccc(C)cc1 ZINC000630231530 975179074 /nfs/dbraw/zinc/17/90/74/975179074.db2.gz CIZQJZADZLWMMR-GOSISDBHSA-N -1 0 339.435 3.822 20 0 EHADRM C[C@H](CCC(=O)NCc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC000630233662 975180831 /nfs/dbraw/zinc/18/08/31/975180831.db2.gz XIINILRKBZMQHT-OAHLLOKOSA-N -1 0 325.408 3.514 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1ccc(C(F)F)cc1F)C1CCCCC1 ZINC000630267897 975210926 /nfs/dbraw/zinc/21/09/26/975210926.db2.gz TUJZPYPAMINPEX-ZDUSSCGKSA-N -1 0 343.345 3.774 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(Cl)cc2Cl)[C@H]2CCC[C@@H]21 ZINC000630271992 975216200 /nfs/dbraw/zinc/21/62/00/975216200.db2.gz IZESWSSZVXITSB-GYSYKLTISA-N -1 0 342.222 3.709 20 0 EHADRM CC1(C)[C@@H](c2cccc(F)c2)CCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000630274978 975219915 /nfs/dbraw/zinc/21/99/15/975219915.db2.gz PHXRMCHXHJHAJZ-QGZVFWFLSA-N -1 0 341.382 3.932 20 0 EHADRM CCc1ccc2occ(C(=O)N3CC[C@H](C(=O)[O-])[C@H]4CCC[C@@H]43)c2c1 ZINC000630285407 975229864 /nfs/dbraw/zinc/22/98/64/975229864.db2.gz RBBODSSZLDZOKD-KEYYUXOJSA-N -1 0 341.407 3.711 20 0 EHADRM C[C@H](CCC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000630286072 975230305 /nfs/dbraw/zinc/23/03/05/975230305.db2.gz PQOUZNLYURIRFA-UBDQQSCGSA-N -1 0 329.440 3.672 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(C3CCC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000630286971 975230809 /nfs/dbraw/zinc/23/08/09/975230809.db2.gz VAWQJIBTHJTXSX-KZNAEPCWSA-N -1 0 327.424 3.670 20 0 EHADRM O=C([O-])c1ccccc1-c1ccccc1C(=O)NC[C@@H]1CCSC1 ZINC000630299624 975238527 /nfs/dbraw/zinc/23/85/27/975238527.db2.gz MPGMNIQFGJKWSM-ZDUSSCGKSA-N -1 0 341.432 3.535 20 0 EHADRM C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)C[C@H](C)CC(=O)[O-] ZINC000630299989 975238954 /nfs/dbraw/zinc/23/89/54/975238954.db2.gz OEUZSBHQLNFBOU-NWDGAFQWSA-N -1 0 345.361 3.596 20 0 EHADRM COc1cc(F)cc(OC)c1CNc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000630468680 975266502 /nfs/dbraw/zinc/26/65/02/975266502.db2.gz SZXHYFYLCBFRGJ-LSDHHAIUSA-N -1 0 345.370 3.643 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C1CC(c2ccc(F)cc2)C1)c1cccs1 ZINC000634803305 975276096 /nfs/dbraw/zinc/27/60/96/975276096.db2.gz PPJQMDWBUCZVIA-PIMMBPRGSA-N -1 0 347.411 3.713 20 0 EHADRM Cc1ccnc(Oc2cc(NC(=O)C[C@@H](C)CC(=O)[O-])ccc2C)c1 ZINC000634822803 975277724 /nfs/dbraw/zinc/27/77/24/975277724.db2.gz GFEZEJIQLVWUDH-CYBMUJFWSA-N -1 0 342.395 3.930 20 0 EHADRM CCN(Cc1c[nH]c2ccccc12)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000634920072 975281121 /nfs/dbraw/zinc/28/11/21/975281121.db2.gz AMNULCRGWHKRRV-UHFFFAOYSA-N -1 0 342.439 3.942 20 0 EHADRM O=C([O-])CC1(CC(=O)N[C@H]2C[C@H](c3ccccc3F)C2)CCCC1 ZINC000634946600 975281964 /nfs/dbraw/zinc/28/19/64/975281964.db2.gz UCZSBVVMUIFGAL-HDJSIYSDSA-N -1 0 333.403 3.613 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)ccc1Cl ZINC000642147167 975289473 /nfs/dbraw/zinc/28/94/73/975289473.db2.gz VEYVOHGNCJQXEX-QWHCGFSZSA-N -1 0 333.746 3.920 20 0 EHADRM Cc1c(NC(=O)COc2ccc3ccccc3c2)cccc1C(=O)[O-] ZINC000642147413 975289671 /nfs/dbraw/zinc/28/96/71/975289671.db2.gz JMAMRLIIUJYZRJ-UHFFFAOYSA-N -1 0 335.359 3.864 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N(Cc2ccccc2)C2CC2)c(C)c1 ZINC000107968778 1014252245 /nfs/dbraw/zinc/25/22/45/1014252245.db2.gz DIRRTXFIAFIRNS-DEOSSOPVSA-N -1 0 341.476 3.602 20 0 EHADRM CCCC[C@@H](C)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000649358037 975407289 /nfs/dbraw/zinc/40/72/89/975407289.db2.gz GEJQFQOLWZYYKX-GFCCVEGCSA-N -1 0 328.412 3.577 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(c2nccc(Oc3ccccc3)n2)C1 ZINC000649405915 975418455 /nfs/dbraw/zinc/41/84/55/975418455.db2.gz UMJUEPRUJCPNGW-AWEZNQCLSA-N -1 0 341.411 3.596 20 0 EHADRM C[C@H](C(=O)N1CCc2ccc(C(=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000652066149 975465051 /nfs/dbraw/zinc/46/50/51/975465051.db2.gz ZXFIRAXBRYBDJY-LBPRGKRZSA-N -1 0 343.810 3.727 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)C[C@H](c1ccccc1)C(F)(F)F)C(=O)[O-] ZINC000652076866 975474255 /nfs/dbraw/zinc/47/42/55/975474255.db2.gz BUOVJEKRVBYPOP-CHWSQXEVSA-N -1 0 345.361 3.728 20 0 EHADRM CC(C)O[C@@H](C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC001591686841 975498996 /nfs/dbraw/zinc/49/89/96/975498996.db2.gz UHYJMIUXGIWOEE-BLLLJJGKSA-N -1 0 332.352 3.748 20 0 EHADRM CC(C)OC1(C(=O)O[C@@H]2CCCc3cc(C(=O)[O-])ccc32)CCC1 ZINC001591693484 975510932 /nfs/dbraw/zinc/51/09/32/975510932.db2.gz WVBATCAGKRJVKJ-MRXNPFEDSA-N -1 0 332.396 3.653 20 0 EHADRM CCc1nc(CN(C)[C@@H](C(=O)[O-])c2c(F)cccc2Cl)cs1 ZINC000652402487 975521904 /nfs/dbraw/zinc/52/19/04/975521904.db2.gz IFLMPAUOLOLEHQ-CQSZACIVSA-N -1 0 342.823 3.756 20 0 EHADRM CC(C)O[C@@H]1C[C@@H](NC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)C1(C)C ZINC001591695935 975528842 /nfs/dbraw/zinc/52/88/42/975528842.db2.gz NIHCNCBPRCZELG-DAXOMENPSA-N -1 0 348.443 3.588 20 0 EHADRM CC(C)Oc1ccccc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653334803 975591553 /nfs/dbraw/zinc/59/15/53/975591553.db2.gz HRESAQIXQUUIKK-SJORKVTESA-N -1 0 339.391 3.517 20 0 EHADRM CCc1cc(C(=O)N2CCC(C(=O)[O-])CC2)sc1-c1ccccc1 ZINC000653472219 975592619 /nfs/dbraw/zinc/59/26/19/975592619.db2.gz JBMVXLCRFMGXAC-UHFFFAOYSA-N -1 0 343.448 3.914 20 0 EHADRM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1cccc(CC(=O)[O-])c1 ZINC000653636328 975599494 /nfs/dbraw/zinc/59/94/94/975599494.db2.gz BSZNMJFALCCSJT-OAHLLOKOSA-N -1 0 337.419 3.755 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)c1cccc(CC(=O)[O-])c1)C(C)C ZINC000653640801 975607794 /nfs/dbraw/zinc/60/77/94/975607794.db2.gz JYXBVGPIIZKDGL-LJQANCHMSA-N -1 0 325.408 3.749 20 0 EHADRM Cc1csc(Nc2ccc(NC(=O)CCCCC(=O)[O-])cc2)n1 ZINC000655548804 975625746 /nfs/dbraw/zinc/62/57/46/975625746.db2.gz BQPSSUOENONXEE-UHFFFAOYSA-N -1 0 333.413 3.779 20 0 EHADRM C[C@@]1(C2CC2)CN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CCO1 ZINC000656757191 975684265 /nfs/dbraw/zinc/68/42/65/975684265.db2.gz LOPBRBHJJIHFHL-HOCLYGCPSA-N -1 0 344.238 3.620 20 0 EHADRM C[C@@]1(C2CC2)CN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CCO1 ZINC000656757687 975684527 /nfs/dbraw/zinc/68/45/27/975684527.db2.gz QZFPLGOTDHTLQG-HOCLYGCPSA-N -1 0 344.238 3.620 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)[C@@H]1CCCC2(CC2)C1)C(=O)[O-] ZINC000659123075 975723286 /nfs/dbraw/zinc/72/32/86/975723286.db2.gz LSGGFNWNCBFNCX-DOTOQJQBSA-N -1 0 329.440 3.706 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)C[C@]23CCCC[C@H]2C3(F)F)cc1 ZINC000659136156 975736779 /nfs/dbraw/zinc/73/67/79/975736779.db2.gz DHUKPYRLKSQBPU-RHSMWYFYSA-N -1 0 337.366 3.858 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)[C@H]2CCC[C@H]2Cc2ccccc2)c1 ZINC000659138341 975738134 /nfs/dbraw/zinc/73/81/34/975738134.db2.gz VQFFRGLQHUFUFO-HKUYNNGSSA-N -1 0 337.419 3.911 20 0 EHADRM CC(C)Oc1c(NC(=O)N2C[C@H](C)[C@H](C)[C@H]2C)cccc1C(=O)[O-] ZINC001591742024 975759217 /nfs/dbraw/zinc/75/92/17/975759217.db2.gz SRRZSCFCQCMFBA-RWMBFGLXSA-N -1 0 334.416 3.680 20 0 EHADRM CC[C@H](CNC(=O)[C@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)[O-] ZINC000659164067 975762927 /nfs/dbraw/zinc/76/29/27/975762927.db2.gz NJYZCSCKJPSPPW-CXAGYDPISA-N -1 0 345.826 3.699 20 0 EHADRM CC(C)c1ccsc1C(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC000659168836 975768356 /nfs/dbraw/zinc/76/83/56/975768356.db2.gz UKMRWULFLMKWQV-ZJUUUORDSA-N -1 0 349.374 3.597 20 0 EHADRM CC(C)Oc1c(NC(=O)N2CCC(C)(C)CC2)cccc1C(=O)[O-] ZINC001591744518 975770815 /nfs/dbraw/zinc/77/08/15/975770815.db2.gz OFTPPAOQXASTOF-UHFFFAOYSA-N -1 0 334.416 3.826 20 0 EHADRM O=C([O-])c1ccc2c(c1)[C@H](CNC(=O)c1ccccc1Cl)CCC2 ZINC000659183993 975780050 /nfs/dbraw/zinc/78/00/50/975780050.db2.gz GQQDLRKMRCSQDH-AWEZNQCLSA-N -1 0 343.810 3.888 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N1CC[C@H](C2CCCCC2)C1 ZINC000659188978 975784355 /nfs/dbraw/zinc/78/43/55/975784355.db2.gz KWXKUIGCRRXZKF-KRWDZBQOSA-N -1 0 329.440 3.746 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000659192051 975789672 /nfs/dbraw/zinc/78/96/72/975789672.db2.gz FBROKOGKTSOVDB-ARKGTOAJSA-N -1 0 347.480 3.652 20 0 EHADRM C[C@H](CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21)c1cccc(F)c1 ZINC000659192800 975792239 /nfs/dbraw/zinc/79/22/39/975792239.db2.gz GSMRCCZTHGGZCY-ZSGPHXLJSA-N -1 0 347.430 3.811 20 0 EHADRM Cc1cc(Cl)cc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)c1 ZINC000659195820 975799632 /nfs/dbraw/zinc/79/96/32/975799632.db2.gz ZLHMYZRHQPZNGY-PMPSAXMXSA-N -1 0 335.831 3.754 20 0 EHADRM Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)c(C)n1C(C)C ZINC000659196685 975801020 /nfs/dbraw/zinc/80/10/20/975801020.db2.gz XELAEGOEHBUOFZ-XYJFISCASA-N -1 0 346.471 3.791 20 0 EHADRM O=C([O-])C[C@H](CNC(=O)c1cc2cc(Cl)ccc2s1)C1CC1 ZINC000659208663 975819063 /nfs/dbraw/zinc/81/90/63/975819063.db2.gz JPBKLVFEYATLOU-LLVKDONJSA-N -1 0 337.828 3.785 20 0 EHADRM Cc1oc(-c2ccccc2)c(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)c1C ZINC000659210492 975821612 /nfs/dbraw/zinc/82/16/12/975821612.db2.gz VLKUZKLWCNPTHV-MRXNPFEDSA-N -1 0 341.407 3.794 20 0 EHADRM C[C@@H](CC(=O)N[C@@](C)(CCF)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000659217051 975827375 /nfs/dbraw/zinc/82/73/75/975827375.db2.gz WWVGPCSNWFJQQD-BONVTDFDSA-N -1 0 349.324 3.518 20 0 EHADRM CCOc1ccc(CN(CC(=O)[O-])[C@@H](CC)c2ccccc2)nc1 ZINC000659793288 975881569 /nfs/dbraw/zinc/88/15/69/975881569.db2.gz LUVIHMYLPSJVIJ-SFHVURJKSA-N -1 0 328.412 3.518 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NC[C@@H]1C[C@H]1C1CCC1 ZINC001591768977 975888758 /nfs/dbraw/zinc/88/87/58/975888758.db2.gz BNQSPSJXLVFDED-GJZGRUSLSA-N -1 0 346.427 3.730 20 0 EHADRM CC(C)Oc1ccc(Cl)cc1C(=O)N[C@](C)(CC(=O)[O-])C1CC1 ZINC001591774928 975913282 /nfs/dbraw/zinc/91/32/82/975913282.db2.gz ADOCRTRJCOPENO-QGZVFWFLSA-N -1 0 339.819 3.500 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)c(C(=O)[O-])c1 ZINC001591779755 975942034 /nfs/dbraw/zinc/94/20/34/975942034.db2.gz AOZBJAXGPMYNAD-BTTYYORXSA-N -1 0 331.412 3.937 20 0 EHADRM CC(C)(C)c1nc2ccc(NC(=O)NCC3(C(=O)[O-])CC3)cc2s1 ZINC000663346299 975946276 /nfs/dbraw/zinc/94/62/76/975946276.db2.gz JEDWNSUZKBOBHJ-UHFFFAOYSA-N -1 0 347.440 3.580 20 0 EHADRM CC(C)[C@H](NC(=O)NCCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000666512774 975964557 /nfs/dbraw/zinc/96/45/57/975964557.db2.gz ATBOHDJJRMIJNC-HNNXBMFYSA-N -1 0 326.824 3.591 20 0 EHADRM C[C@@H]1C[C@@H]1[C@H](NC(=O)NCCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000666530968 975965658 /nfs/dbraw/zinc/96/56/58/975965658.db2.gz LHAHXPYTUKAIJO-DIOULYMOSA-N -1 0 338.835 3.591 20 0 EHADRM Cc1ccc(CCC2CCN(C(=O)NCCCCC(=O)[O-])CC2)cc1 ZINC000666557720 975971898 /nfs/dbraw/zinc/97/18/98/975971898.db2.gz UINVFRRHLBOVNF-UHFFFAOYSA-N -1 0 346.471 3.604 20 0 EHADRM CCCN(Cc1c(F)cccc1Cl)C(=O)NCCCCC(=O)[O-] ZINC000666558767 975972940 /nfs/dbraw/zinc/97/29/40/975972940.db2.gz XDMQLRHPEZFRCY-UHFFFAOYSA-N -1 0 344.814 3.656 20 0 EHADRM CC(C)Oc1cccc(-c2noc(-c3cccc(CC(=O)[O-])c3)n2)c1 ZINC001591791466 975985932 /nfs/dbraw/zinc/98/59/32/975985932.db2.gz AXFCOOSQVVXCBB-UHFFFAOYSA-N -1 0 338.363 3.818 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C(C2CCC2)C2CCC2)C[C@@H]1c1ccccc1 ZINC000668291498 975988019 /nfs/dbraw/zinc/98/80/19/975988019.db2.gz NUQHBNWYGPVFKE-QZTJIDSGSA-N -1 0 341.451 3.530 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N[C@@H]2CCCc3ccc(F)cc32)cc1 ZINC000668319287 975997967 /nfs/dbraw/zinc/99/79/67/975997967.db2.gz FGKLUVSCQCRCSV-GOSISDBHSA-N -1 0 341.382 3.650 20 0 EHADRM CC(C)Oc1cccc(NCc2ccccc2O[C@@H](C)C(=O)[O-])c1 ZINC001591795877 976002659 /nfs/dbraw/zinc/00/26/59/976002659.db2.gz RDSSKTDXQOIINA-AWEZNQCLSA-N -1 0 329.396 3.938 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)CCc2cccc(Cl)c2)c2ccccc21 ZINC000669436208 976003718 /nfs/dbraw/zinc/00/37/18/976003718.db2.gz DBQSBIKWADGGKL-INIZCTEOSA-N -1 0 343.810 3.878 20 0 EHADRM Cc1ccc(CCCC(=O)N(CCC(=O)[O-])Cc2ccccc2)cc1 ZINC000675945303 976015046 /nfs/dbraw/zinc/01/50/46/976015046.db2.gz HLUXRGXUSAQDLO-UHFFFAOYSA-N -1 0 339.435 3.821 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)N(CC(=O)[O-])C1CCCCC1 ZINC000675992419 976022998 /nfs/dbraw/zinc/02/29/98/976022998.db2.gz CVQFPTDPNBTVJA-OAHLLOKOSA-N -1 0 347.455 3.510 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)N(CC(=O)[O-])C1CCCCC1 ZINC000675992418 976023372 /nfs/dbraw/zinc/02/33/72/976023372.db2.gz CVQFPTDPNBTVJA-HNNXBMFYSA-N -1 0 347.455 3.510 20 0 EHADRM O=C([O-])CN(C(=O)c1cc2cc(Cl)ccc2[nH]1)C1CCCCC1 ZINC000675993842 976025448 /nfs/dbraw/zinc/02/54/48/976025448.db2.gz SCMWFCBUAZWMNC-UHFFFAOYSA-N -1 0 334.803 3.681 20 0 EHADRM O=C([O-])C1(CNC(=O)C2(Sc3ccccc3)CCCC2)CCCC1 ZINC000676023028 976028100 /nfs/dbraw/zinc/02/81/00/976028100.db2.gz GDCQUMWBLMNBAI-UHFFFAOYSA-N -1 0 347.480 3.853 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)NCC1(C(=O)[O-])CCCCC1 ZINC001591804802 976032566 /nfs/dbraw/zinc/03/25/66/976032566.db2.gz XJRYNMXEXHZEDT-UHFFFAOYSA-N -1 0 334.416 3.630 20 0 EHADRM Cc1ccc(CCC(=O)N(CCC(=O)[O-])CC(C)C)cc1Cl ZINC000678975590 976033405 /nfs/dbraw/zinc/03/34/05/976033405.db2.gz LBVJETRPKCYLCE-UHFFFAOYSA-N -1 0 325.836 3.540 20 0 EHADRM COc1cccc([C@@H](C)C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000678980076 976034862 /nfs/dbraw/zinc/03/48/62/976034862.db2.gz SGTCJVYLROHDEV-SNVBAGLBSA-N -1 0 333.771 3.789 20 0 EHADRM Cc1ccc(CCCC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)s1 ZINC000679102031 976043448 /nfs/dbraw/zinc/04/34/48/976043448.db2.gz RWXUYNOFGSSNTD-CQSZACIVSA-N -1 0 337.485 3.729 20 0 EHADRM CC(C)Oc1ncc(Cl)cc1NC(=O)c1ccc(C(=O)[O-])s1 ZINC001591811459 976045485 /nfs/dbraw/zinc/04/54/85/976045485.db2.gz LZTGFFOJZZESLK-UHFFFAOYSA-N -1 0 340.788 3.534 20 0 EHADRM CC(C)Oc1ncc(C(=O)Nc2ccsc2C(=O)[O-])cc1Cl ZINC001591811712 976047951 /nfs/dbraw/zinc/04/79/51/976047951.db2.gz UBIXYQDDCLJMMT-UHFFFAOYSA-N -1 0 340.788 3.534 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2noc3c2CCCCC3)ccc1Cl ZINC000683312720 976084834 /nfs/dbraw/zinc/08/48/34/976084834.db2.gz HTWDPDIZCAOGRR-UHFFFAOYSA-N -1 0 334.759 3.547 20 0 EHADRM CC(C)[C@H](NC(=O)CC(C)(C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001591861908 976158284 /nfs/dbraw/zinc/15/82/84/976158284.db2.gz FZAUBFNPFYNNHB-HNNXBMFYSA-N -1 0 325.836 3.524 20 0 EHADRM CCCC[C@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000035095755 1014318876 /nfs/dbraw/zinc/31/88/76/1014318876.db2.gz JHEIQIOZTRKOLV-GWCFXTLKSA-N -1 0 329.849 3.580 20 0 EHADRM CC(C)c1ccc([C@H]2CCCCN2C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cc1 ZINC001591949355 976507143 /nfs/dbraw/zinc/50/71/43/976507143.db2.gz VOCFSMCGYBSRDK-FGTMMUONSA-N -1 0 344.455 3.910 20 0 EHADRM CC(C)c1ccc(CCNC(=O)NCC2(CC(=O)[O-])CCCC2)cc1 ZINC001591952482 976511315 /nfs/dbraw/zinc/51/13/15/976511315.db2.gz HODHMVSMDXLCEQ-UHFFFAOYSA-N -1 0 346.471 3.687 20 0 EHADRM CC(C)c1ccc(SCC(=O)N[C@H](CC(C)(C)C)C(=O)[O-])cc1 ZINC001591973708 976580004 /nfs/dbraw/zinc/58/00/04/976580004.db2.gz HZJDFLJEMKTMSC-OAHLLOKOSA-N -1 0 337.485 3.908 20 0 EHADRM CC(C)c1ccc(SCC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])cc1 ZINC001591974495 976589558 /nfs/dbraw/zinc/58/95/58/976589558.db2.gz WMVGFHOMNGERSC-GOEBONIOSA-N -1 0 335.469 3.662 20 0 EHADRM CC(C)c1ccc2c(c1)CN(C(=O)c1ccc(C(=O)[O-])c(F)c1)CC2 ZINC001591980636 976594582 /nfs/dbraw/zinc/59/45/82/976594582.db2.gz IWMRNSIBULWQMJ-UHFFFAOYSA-N -1 0 341.382 3.846 20 0 EHADRM CC(C)c1cccc(CNC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC001591986794 976609308 /nfs/dbraw/zinc/60/93/08/976609308.db2.gz IIWPXOXRPVAYKM-HNNXBMFYSA-N -1 0 332.444 3.596 20 0 EHADRM CC(C)c1cccc(NC(=O)N[C@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC001591992015 976621419 /nfs/dbraw/zinc/62/14/19/976621419.db2.gz ONJUJMWNGZPOQR-SNVBAGLBSA-N -1 0 333.413 3.847 20 0 EHADRM CC(C)c1cccc(N(C)C(=O)Nc2ccc(OCC(=O)[O-])cc2)c1 ZINC001591992277 976624429 /nfs/dbraw/zinc/62/44/29/976624429.db2.gz VPRWHZBDKWDFAP-UHFFFAOYSA-N -1 0 342.395 3.942 20 0 EHADRM CC(C)c1cnc(CN[C@@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)o1 ZINC001592002691 976652672 /nfs/dbraw/zinc/65/26/72/976652672.db2.gz BYPVRMJNYHWDAT-YJYMSZOUSA-N -1 0 328.412 3.765 20 0 EHADRM CC(C)c1noc(CSCc2cc(C(=O)[O-])ccc2Cl)n1 ZINC001592095868 976861781 /nfs/dbraw/zinc/86/17/81/976861781.db2.gz ZXRAIUOLMMLPHM-UHFFFAOYSA-N -1 0 326.805 3.978 20 0 EHADRM CC(C)c1sc(NC(=O)N[C@@H](C)CC(=O)[O-])nc1-c1ccccc1 ZINC001592112219 976906190 /nfs/dbraw/zinc/90/61/90/976906190.db2.gz YOXFSTZPEVCQGK-NSHDSACASA-N -1 0 347.440 3.918 20 0 EHADRM CC(C)c1scnc1NC(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001592117553 976921717 /nfs/dbraw/zinc/92/17/17/976921717.db2.gz SMUUUHHETJPXAC-UHFFFAOYSA-N -1 0 345.424 3.555 20 0 EHADRM CC(C)n1cc2cc(NC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)ccc2n1 ZINC001592131395 976967139 /nfs/dbraw/zinc/96/71/39/976967139.db2.gz SZYXQSRUQKEYBN-HNNXBMFYSA-N -1 0 346.431 3.628 20 0 EHADRM CC(C)n1ccc(NC(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)n1 ZINC001592142847 976991054 /nfs/dbraw/zinc/99/10/54/976991054.db2.gz QCIGNLIRVSJFMP-UHFFFAOYSA-N -1 0 340.742 3.599 20 0 EHADRM C[C@H](C1CCCCC1)N(C)C(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001592181637 977108724 /nfs/dbraw/zinc/10/87/24/977108724.db2.gz PUNNGKAZRWNTBR-CFLQYTFWSA-N -1 0 329.440 3.672 20 0 EHADRM C[C@H](/C=C/C(=O)[O-])NC(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl ZINC001592195738 977183453 /nfs/dbraw/zinc/18/34/53/977183453.db2.gz XSHFPWLXEIWFRK-PVNVNXCXSA-N -1 0 348.251 3.620 20 0 EHADRM C[C@@H](CC(=O)N1CCOc2ccccc2[C@H]1C(=O)[O-])C1CCCCC1 ZINC001592235720 977440622 /nfs/dbraw/zinc/44/06/22/977440622.db2.gz BZWIRYBIPVIMGO-LIRRHRJNSA-N -1 0 345.439 3.640 20 0 EHADRM O=C([O-])c1cc(NC(=O)C23CCC(CC2)C3)ccc1Br ZINC000710849757 977525497 /nfs/dbraw/zinc/52/54/97/977525497.db2.gz NMYHKWQHIYFNEK-UHFFFAOYSA-N -1 0 338.201 3.666 20 0 EHADRM C[C@H](CC(=O)Nc1cccc(Cl)c1)Nc1cccc(CC(=O)[O-])c1 ZINC001592274258 977547553 /nfs/dbraw/zinc/54/75/53/977547553.db2.gz MGCJCWNRZYVEBF-GFCCVEGCSA-N -1 0 346.814 3.796 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)c1ccc(C(F)(F)F)cc1Cl)C1CC1 ZINC001592304151 977662548 /nfs/dbraw/zinc/66/25/48/977662548.db2.gz KLHAPSCBEDFSIR-CQSZACIVSA-N -1 0 349.736 3.732 20 0 EHADRM C[C@@](CC(=O)[O-])(NCc1csc(C2CC2)n1)c1cccc(F)c1 ZINC001592330280 977765807 /nfs/dbraw/zinc/76/58/07/977765807.db2.gz SJSAZCRSQUYCQI-KRWDZBQOSA-N -1 0 334.416 3.639 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N(CCc1ccccc1)CCC(C)(C)C ZINC001592370388 977883456 /nfs/dbraw/zinc/88/34/56/977883456.db2.gz HKXMYQWZITXXNX-INIZCTEOSA-N -1 0 333.472 3.995 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC001592394502 977945155 /nfs/dbraw/zinc/94/51/55/977945155.db2.gz JAEZXMFCHMPUMD-GFCCVEGCSA-N -1 0 338.835 3.770 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC001592394496 977945370 /nfs/dbraw/zinc/94/53/70/977945370.db2.gz ITSVHCINHLVTBT-LLVKDONJSA-N -1 0 348.786 3.967 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)O[C@@H](C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC001592395694 977955280 /nfs/dbraw/zinc/95/52/80/977955280.db2.gz MZGMKOMYUYKJCS-OLZOCXBDSA-N -1 0 334.412 3.599 20 0 EHADRM C[C@@H](CC(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1)c1ccc(N)cc1 ZINC001592423481 978040099 /nfs/dbraw/zinc/04/00/99/978040099.db2.gz DQWSTQGWQRZUDZ-APPDUMDISA-N -1 0 347.798 3.785 20 0 EHADRM C[C@@H](CC(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21)c1ccncc1 ZINC001592430203 978062056 /nfs/dbraw/zinc/06/20/56/978062056.db2.gz WBAFNUSSLQIGAV-SCLBCKFNSA-N -1 0 339.391 3.894 20 0 EHADRM C[C@H](CC(=O)Oc1ccc(N(C)C)c(C(=O)[O-])c1)C1CCCCC1 ZINC001592434093 978071414 /nfs/dbraw/zinc/07/14/14/978071414.db2.gz SHXUAUPGCLSLKT-CYBMUJFWSA-N -1 0 333.428 3.963 20 0 EHADRM C[C@H](CC(C)(C)C)C(=O)N1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001592440306 978097140 /nfs/dbraw/zinc/09/71/40/978097140.db2.gz YEIOJUVPIUGVMT-NEPJUHHUSA-N -1 0 338.473 3.620 20 0 EHADRM C[C@@H](CC(C)(C)CC(=O)[O-])Nc1ccc([C@@H](O)C(F)(F)F)cc1 ZINC001592446114 978122224 /nfs/dbraw/zinc/12/22/24/978122224.db2.gz STYIHANRULPLEV-IINYFYTJSA-N -1 0 333.350 3.974 20 0 EHADRM CCC[C@](C)(NC(=O)Nc1ccc(F)c(C(F)(F)F)c1)C(=O)[O-] ZINC000320433233 1014473997 /nfs/dbraw/zinc/47/39/97/1014473997.db2.gz HLJWYQBBXRUJDX-ZDUSSCGKSA-N -1 0 336.285 3.609 20 0 EHADRM C[C@H](CCNC(=O)N1CCc2cccc(C(=O)[O-])c2C1)CC(C)(C)C ZINC001592513400 978345644 /nfs/dbraw/zinc/34/56/44/978345644.db2.gz OOGKXVOEZGPUGL-CQSZACIVSA-N -1 0 346.471 3.915 20 0 EHADRM C[C@@H](CCNC(=O)Nc1ccc(OCC(=O)[O-])cc1)CC(C)(C)C ZINC001592522179 978379458 /nfs/dbraw/zinc/37/94/58/978379458.db2.gz WIZMYPOJRJVFML-ZDUSSCGKSA-N -1 0 336.432 3.734 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-] ZINC001592605126 978550008 /nfs/dbraw/zinc/55/00/08/978550008.db2.gz HBEWYZJWUSVSLH-LEUOFYLZSA-N -1 0 329.440 3.562 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)c1nc2cccc(F)c2o1)C(=O)[O-] ZINC001592609724 978557187 /nfs/dbraw/zinc/55/71/87/978557187.db2.gz KSBWFGXTRDTZBC-LBPRGKRZSA-N -1 0 328.343 3.694 20 0 EHADRM C[C@H](CN(Cc1ccccc1)c1ccnc(-c2ccccc2)n1)C(=O)[O-] ZINC001592610363 978562451 /nfs/dbraw/zinc/56/24/51/978562451.db2.gz XPSHFCJNHDHOKU-MRXNPFEDSA-N -1 0 347.418 3.871 20 0 EHADRM Cc1ccc(OC(=O)COc2cccc(C(C)C)c2)c(C(=O)[O-])c1 ZINC000738641490 978580470 /nfs/dbraw/zinc/58/04/70/978580470.db2.gz UFEJGMDIPUVYEJ-UHFFFAOYSA-N -1 0 328.364 3.801 20 0 EHADRM Cc1nc(CCC(=O)Oc2c(C(=O)[O-])ccc3ccccc32)cs1 ZINC000738855172 978605273 /nfs/dbraw/zinc/60/52/73/978605273.db2.gz MGWRUCNBRLHHMA-UHFFFAOYSA-N -1 0 341.388 3.841 20 0 EHADRM C[C@](CNC(=O)CCCCc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC001592645467 978623829 /nfs/dbraw/zinc/62/38/29/978623829.db2.gz HWYCSVJBORHIRO-OAQYLSRUSA-N -1 0 339.435 3.558 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)c1cnc2ccsc2c1 ZINC000739472807 978642151 /nfs/dbraw/zinc/64/21/51/978642151.db2.gz QNZVRHGEDZRXJY-UHFFFAOYSA-N -1 0 332.768 3.900 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)c1ccc(OCC2CC2)cc1 ZINC000739484800 978642802 /nfs/dbraw/zinc/64/28/02/978642802.db2.gz FHWWQFZSDBQZEE-UHFFFAOYSA-N -1 0 329.327 3.565 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)c1cc(Br)cs1 ZINC000739485053 978642821 /nfs/dbraw/zinc/64/28/21/978642821.db2.gz JLPWFDNZSQJVDP-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM O=C([O-])c1ccc2nc(SCc3nc4ccccc4o3)oc2c1 ZINC000740212147 978672663 /nfs/dbraw/zinc/67/26/63/978672663.db2.gz CGOZRFCQYACUIL-UHFFFAOYSA-N -1 0 326.333 3.960 20 0 EHADRM COc1cccc(/C(C)=C\C(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000761240342 978706161 /nfs/dbraw/zinc/70/61/61/978706161.db2.gz RNBUENGTAGNCGP-BENRWUELSA-N -1 0 325.364 3.744 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000761650604 978713550 /nfs/dbraw/zinc/71/35/50/978713550.db2.gz MADJQUXPFNEWMZ-HNNXBMFYSA-N -1 0 331.334 3.555 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)CCc2ccc3[nH]ccc3c2)c1 ZINC000761997958 978717628 /nfs/dbraw/zinc/71/76/28/978717628.db2.gz CLKFUDDKMZDANP-UHFFFAOYSA-N -1 0 336.391 3.756 20 0 EHADRM Cc1oc(CN(C)C(=O)/C=C\c2cc(C)c(C)cc2C)cc1C(=O)[O-] ZINC000767093783 978734439 /nfs/dbraw/zinc/73/44/39/978734439.db2.gz POHTUWZJOFWPCL-SREVYHEPSA-N -1 0 341.407 3.883 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000767097161 978734789 /nfs/dbraw/zinc/73/47/89/978734789.db2.gz VCQDOAWDRUATPY-SNVBAGLBSA-N -1 0 335.762 3.995 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)Cc1csc2ccccc12 ZINC000776595338 978755283 /nfs/dbraw/zinc/75/52/83/978755283.db2.gz JWZFKFVEEKIACI-UHFFFAOYSA-N -1 0 337.400 3.731 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ncc(C3CCCCC3)s2)cn1 ZINC000782485290 978792801 /nfs/dbraw/zinc/79/28/01/978792801.db2.gz GSVMICIGGXCUJB-UHFFFAOYSA-N -1 0 331.397 3.536 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)NCCc2ccc(Cl)cc2)c1 ZINC000811811704 978856013 /nfs/dbraw/zinc/85/60/13/978856013.db2.gz DJBPCJIGPMWSGV-UHFFFAOYSA-N -1 0 338.190 3.664 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)NC2CC(c3ccccc3)C2)c1 ZINC000811816488 978859887 /nfs/dbraw/zinc/85/98/87/978859887.db2.gz AUPXKPARZAYCHL-UHFFFAOYSA-N -1 0 329.783 3.714 20 0 EHADRM O=C([O-])C[C@H](NC(=O)/C=C\c1ccccc1Cl)c1cccs1 ZINC000821790567 978926533 /nfs/dbraw/zinc/92/65/33/978926533.db2.gz SBEFCSOSYLVGEU-WSROAFLRSA-N -1 0 335.812 3.747 20 0 EHADRM C[C@H]1CN(C(=O)c2sccc2-c2ccc(F)cc2)CC[C@H]1C(=O)[O-] ZINC000823340629 978932016 /nfs/dbraw/zinc/93/20/16/978932016.db2.gz KIJBOKIKNNKDBO-SMDDNHRTSA-N -1 0 347.411 3.737 20 0 EHADRM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000828149939 978972341 /nfs/dbraw/zinc/97/23/41/978972341.db2.gz OIDWSRQETHLVSN-PBHICJAKSA-N -1 0 338.407 3.870 20 0 EHADRM CCS[C@H](C)c1noc(CNc2ccc(C(C)(C)C(=O)[O-])cc2)n1 ZINC000830149716 979014147 /nfs/dbraw/zinc/01/41/47/979014147.db2.gz KTHKKXAUBASMMF-LLVKDONJSA-N -1 0 349.456 3.858 20 0 EHADRM Cc1csc([C@@H](NC(=O)Nc2cc(C(=O)[O-])ccc2F)C2CC2)n1 ZINC000832988770 979065600 /nfs/dbraw/zinc/06/56/00/979065600.db2.gz GZKOXHNMAIKMTP-ZDUSSCGKSA-N -1 0 349.387 3.562 20 0 EHADRM CC[C@H](C)n1nc(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cc1C ZINC001595022567 979107753 /nfs/dbraw/zinc/10/77/53/979107753.db2.gz MUFGDOXTUWDBPA-WCQYABFASA-N -1 0 329.400 3.603 20 0 EHADRM CC[C@@H](C)n1nccc1C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001595028312 979151104 /nfs/dbraw/zinc/15/11/04/979151104.db2.gz LWBNLYYUMDJVJA-GFCCVEGCSA-N -1 0 337.379 3.958 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N2CC(Cc3ccccc3Cl)C2)c1 ZINC000833330437 979161359 /nfs/dbraw/zinc/16/13/59/979161359.db2.gz SRYQTXLZSGHHRK-UHFFFAOYSA-N -1 0 344.798 3.745 20 0 EHADRM CC[C@@H](CC(=O)N1c2c(cccc2C(=O)[O-])NC(=O)[C@H]1C)C(C)(C)C ZINC001595033255 979174241 /nfs/dbraw/zinc/17/42/41/979174241.db2.gz GVVJYIYXQFAVFK-NEPJUHHUSA-N -1 0 346.427 3.521 20 0 EHADRM CC[C@@H](CC(C)C)C(=O)Nc1nc2nc(C)cc(C(=O)[O-])c2s1 ZINC001595036144 979190826 /nfs/dbraw/zinc/19/08/26/979190826.db2.gz NPTFWAXKQJIWJZ-JTQLQIEISA-N -1 0 335.429 3.709 20 0 EHADRM CC[C@@H](CC(=O)OCc1cccc(C(=O)[O-])n1)c1ccc(C)cc1 ZINC001595037154 979204406 /nfs/dbraw/zinc/20/44/06/979204406.db2.gz QLVPENYENKUSQM-AWEZNQCLSA-N -1 0 327.380 3.715 20 0 EHADRM CC[C@@H](CC(F)(F)F)C(=O)Nc1nc(C(C)C)c(C(=O)[O-])s1 ZINC001595038706 979208846 /nfs/dbraw/zinc/20/88/46/979208846.db2.gz IAMVQAWIXGIGML-ZETCQYMHSA-N -1 0 338.351 3.882 20 0 EHADRM CC[C@@H](CC(F)F)C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001595042417 979234117 /nfs/dbraw/zinc/23/41/17/979234117.db2.gz LLTKKAZFNMFUDW-MEDUHNTESA-N -1 0 335.350 3.763 20 0 EHADRM CC[C@H](CC(F)(F)F)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001595042750 979238810 /nfs/dbraw/zinc/23/88/10/979238810.db2.gz TUEMFYQCTGSFDY-MRVPVSSYSA-N -1 0 336.285 3.685 20 0 EHADRM CC(C)(C)/C=C/C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000836754701 979261615 /nfs/dbraw/zinc/26/16/15/979261615.db2.gz QNXHGXWRJSJRSP-XEHSLEBBSA-N -1 0 329.318 3.707 20 0 EHADRM CC(C)(C)/C=C/C(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC000836756807 979264142 /nfs/dbraw/zinc/26/41/42/979264142.db2.gz QMGAVZJGBKJAIM-BQYQJAHWSA-N -1 0 344.436 3.727 20 0 EHADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccccc1SCc1ccco1 ZINC000836757480 979265716 /nfs/dbraw/zinc/26/57/16/979265716.db2.gz IWVCZTRGFRHMHZ-GXTWGEPZSA-N -1 0 345.420 3.507 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cccc(Nc2nccs2)c1 ZINC001595053159 979284720 /nfs/dbraw/zinc/28/47/20/979284720.db2.gz BYVAPWUJXHNLOM-UHFFFAOYSA-N -1 0 347.440 3.650 20 0 EHADRM O=C([O-])C1CCC(Nc2cc3c(cc2Cl)OCCCO3)CC1 ZINC000840994634 979292660 /nfs/dbraw/zinc/29/26/60/979292660.db2.gz DYXXIFFUUPFKHI-UHFFFAOYSA-N -1 0 325.792 3.557 20 0 EHADRM O=C([O-])CC[C@@H](Cc1ccccc1)Nc1c(F)c(F)nc(F)c1F ZINC000841510017 979307155 /nfs/dbraw/zinc/30/71/55/979307155.db2.gz ZJJSQKGXIMXOMO-JTQLQIEISA-N -1 0 342.292 3.526 20 0 EHADRM C[C@H](Cc1ccc(NC[C@H]2CCOc3ccccc32)cc1)C(=O)[O-] ZINC000841812517 979314392 /nfs/dbraw/zinc/31/43/92/979314392.db2.gz WKRIAFDJVHAMQN-GDBMZVCRSA-N -1 0 325.408 3.928 20 0 EHADRM CCC(CC)(CNC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001595064670 979327490 /nfs/dbraw/zinc/32/74/90/979327490.db2.gz FVVUGCHPJGWVIB-NSHDSACASA-N -1 0 345.361 3.816 20 0 EHADRM C[C@H](CO)c1ccc(-c2cc(C(=O)[O-])n(C(=O)OC(C)(C)C)c2)cc1 ZINC001592765632 979373088 /nfs/dbraw/zinc/37/30/88/979373088.db2.gz WXMWEGOGCFXHLV-GFCCVEGCSA-N -1 0 345.395 3.732 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000844245175 979390546 /nfs/dbraw/zinc/39/05/46/979390546.db2.gz IWCFKRBZKHKJCT-ZIAGYGMSSA-N -1 0 331.412 3.745 20 0 EHADRM CCN(C(=O)CCCC(=O)[O-])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000844249901 979393564 /nfs/dbraw/zinc/39/35/64/979393564.db2.gz UMDZSSWFAQUAJQ-LLVKDONJSA-N -1 0 331.334 3.870 20 0 EHADRM CCC(CC)(NC(=O)c1ccccc1CCC(F)(F)F)C(=O)[O-] ZINC001595097689 979394643 /nfs/dbraw/zinc/39/46/43/979394643.db2.gz HAHJJUZPSYUOSJ-UHFFFAOYSA-N -1 0 331.334 3.555 20 0 EHADRM CCC(CC)(NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1)C(=O)[O-] ZINC001595098075 979399838 /nfs/dbraw/zinc/39/98/38/979399838.db2.gz HUZOKWYGFXOXLC-UHFFFAOYSA-N -1 0 342.317 3.560 20 0 EHADRM CCC(CC)[C@H](NC(=O)NC1CC(CC(=O)[O-])C1)c1ccccc1 ZINC001595109220 979440581 /nfs/dbraw/zinc/44/05/81/979440581.db2.gz FCSGLWUZBFDKIG-AUCFXJAVSA-N -1 0 332.444 3.716 20 0 EHADRM CCC(CC)CCCN(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001595109450 979441877 /nfs/dbraw/zinc/44/18/77/979441877.db2.gz AUEIOCJFCKDHRW-UHFFFAOYSA-N -1 0 341.473 3.530 20 0 EHADRM CCC(CC)CCCN(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC001595109489 979442518 /nfs/dbraw/zinc/44/25/18/979442518.db2.gz DCCWYSAYTPBYOD-UHFFFAOYSA-N -1 0 341.473 3.530 20 0 EHADRM CCC(CC)N(CC(C)C)C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001595114396 979463966 /nfs/dbraw/zinc/46/39/66/979463966.db2.gz JKZXXYULUXHNIH-LLVKDONJSA-N -1 0 341.477 3.759 20 0 EHADRM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851592733 979501780 /nfs/dbraw/zinc/50/17/80/979501780.db2.gz AYYZABSWRWSMHJ-GAJOTYCWSA-N -1 0 339.391 3.818 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)o1 ZINC000851593853 979503768 /nfs/dbraw/zinc/50/37/68/979503768.db2.gz DVOKMZWGDMJJOS-LOMOZECVSA-N -1 0 339.391 3.519 20 0 EHADRM CCC[C@H](Cc1ccccc1)NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851596585 979511190 /nfs/dbraw/zinc/51/11/90/979511190.db2.gz STGZAFBDQKCHKB-HBIYDYFMSA-N -1 0 327.380 3.519 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(/C=C\C(=O)[O-])o2)[C@@H](c2ccco2)C1 ZINC000851597449 979514124 /nfs/dbraw/zinc/51/41/24/979514124.db2.gz YFUJMHDSIVMCGH-OJWNKBRNSA-N -1 0 329.352 3.584 20 0 EHADRM O=C([O-])CCCCCCNC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000851598507 979515810 /nfs/dbraw/zinc/51/58/10/979515810.db2.gz WSABVBYLFRAVKZ-QZTJIDSGSA-N -1 0 331.456 3.797 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1ccc(/C=C/C(=O)[O-])o1)CC2 ZINC000851605873 979530198 /nfs/dbraw/zinc/53/01/98/979530198.db2.gz NTIRUGJRFBMFJA-JEJOPICUSA-N -1 0 339.391 3.918 20 0 EHADRM C[C@H](CSCC(=O)N(C)c1ccccc1C(=O)[O-])c1ccccc1 ZINC001592824037 979535435 /nfs/dbraw/zinc/53/54/35/979535435.db2.gz CKYXCSVYMGYNIR-CQSZACIVSA-N -1 0 343.448 3.885 20 0 EHADRM CC[C@@H](CCc1ccccc1)NC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001595129503 979535764 /nfs/dbraw/zinc/53/57/64/979535764.db2.gz LOFSCHYGBVCMDL-SFHVURJKSA-N -1 0 325.408 3.834 20 0 EHADRM C[C@@H](CSCc1nc2cc(Br)ccc2o1)C(=O)[O-] ZINC001592829769 979550154 /nfs/dbraw/zinc/55/01/54/979550154.db2.gz AUNQYGOCTZYJOB-ZETCQYMHSA-N -1 0 330.203 3.544 20 0 EHADRM CC[C@](CNC(=O)C1(C2CCCCC2)CC1)(C(=O)[O-])c1ccccc1 ZINC001595138632 979582482 /nfs/dbraw/zinc/58/24/82/979582482.db2.gz JQFJGPCHZIDAMJ-HXUWFJFHSA-N -1 0 343.467 3.896 20 0 EHADRM CC[C@](CNC(=O)[C@H](F)CC1CCCCC1)(C(=O)[O-])c1ccccc1 ZINC001595138928 979585327 /nfs/dbraw/zinc/58/53/27/979585327.db2.gz TTZQWXRVKXISPF-YLJYHZDGSA-N -1 0 349.446 3.844 20 0 EHADRM CC[C@@H](CNC(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC001595139201 979588800 /nfs/dbraw/zinc/58/88/00/979588800.db2.gz FCIVUCGMWDFIAL-CUZBXDDWSA-N -1 0 347.411 3.794 20 0 EHADRM C[C@@](Cc1ccc(Cl)cc1)(NC(=O)OC1CCCCC1)C(=O)[O-] ZINC001592840198 979603484 /nfs/dbraw/zinc/60/34/84/979603484.db2.gz JIOPSYAIPQZGOV-KRWDZBQOSA-N -1 0 339.819 3.785 20 0 EHADRM CC[C@H](CNC(=O)Nc1cc(C(=O)[O-])cnc1Cl)c1ccccc1 ZINC001595152254 979646922 /nfs/dbraw/zinc/64/69/22/979646922.db2.gz JCKNVVPMMLYCBQ-LLVKDONJSA-N -1 0 347.802 3.749 20 0 EHADRM CC[C@](CNC(=O)Nc1cccc(C)c1)(C(=O)[O-])c1ccccc1 ZINC001595153203 979650775 /nfs/dbraw/zinc/65/07/75/979650775.db2.gz ABVKGHMAIVFFJU-LJQANCHMSA-N -1 0 326.396 3.549 20 0 EHADRM C[C@@H](OC1CCCCC1)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001592859033 979679571 /nfs/dbraw/zinc/67/95/71/979679571.db2.gz XRLDAVWNDTWTHQ-UONOGXRCSA-N -1 0 333.428 3.626 20 0 EHADRM CC[C@H](C)N(Cc1ccccc1)C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000864101318 979684959 /nfs/dbraw/zinc/68/49/59/979684959.db2.gz SXHFRIJLTQQZRT-CMUBDUJZSA-N -1 0 327.380 3.818 20 0 EHADRM CC[C@@](CNC(=O)c1csc(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC001595163064 979692835 /nfs/dbraw/zinc/69/28/35/979692835.db2.gz DZHVSOKSEQYUBP-INIZCTEOSA-N -1 0 337.828 3.564 20 0 EHADRM O=C([O-])c1coc(/C=C/C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)c1 ZINC000864105642 979693150 /nfs/dbraw/zinc/69/31/50/979693150.db2.gz JRLDBJSZGWKSMS-XSFOEPMVSA-N -1 0 337.375 3.670 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N(CC2CC2)C2CCC2)cc1)C(=O)[O-] ZINC001592860998 979694580 /nfs/dbraw/zinc/69/45/80/979694580.db2.gz NNYMHQHUFBMUOS-CYBMUJFWSA-N -1 0 330.428 3.746 20 0 EHADRM O=C([O-])c1coc(/C=C\C(=O)N2CCC[C@H](c3ccccc3)CC2)c1 ZINC000864108274 979697340 /nfs/dbraw/zinc/69/73/40/979697340.db2.gz RNNZKGCNCGZJCM-QWGSZXSUSA-N -1 0 339.391 3.787 20 0 EHADRM CC(C)[C@@H](c1ccccc1)N(C)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000864110284 979700589 /nfs/dbraw/zinc/70/05/89/979700589.db2.gz PCVXWGFBLPBVRG-ANGAQGJPSA-N -1 0 327.380 3.847 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N(CC2CC2)CC2CCC2)cc1)C(=O)[O-] ZINC001592861648 979700862 /nfs/dbraw/zinc/70/08/62/979700862.db2.gz VHIROKCTUCQZGC-CQSZACIVSA-N -1 0 344.455 3.994 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N2C[C@@H]3CCCC[C@@]32C)cc1)C(=O)[O-] ZINC001592865780 979709148 /nfs/dbraw/zinc/70/91/48/979709148.db2.gz GZALFOGNBOOVNH-WTANOLMUSA-N -1 0 330.428 3.746 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N[C@@H]2CC23CCCCC3)cc1)C(=O)[O-] ZINC001592868305 979719354 /nfs/dbraw/zinc/71/93/54/979719354.db2.gz XNSNGAQXOVXJLQ-CZUORRHYSA-N -1 0 330.428 3.794 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3)cc1)C(=O)[O-] ZINC001592873150 979734296 /nfs/dbraw/zinc/73/42/96/979734296.db2.gz RBHSSNZESGWFCA-CYBMUJFWSA-N -1 0 338.407 3.560 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2ccc3scnc3c2)cc1)C(=O)[O-] ZINC001592873544 979735889 /nfs/dbraw/zinc/73/58/89/979735889.db2.gz VUBFPUYIJLSMID-NSHDSACASA-N -1 0 340.404 3.812 20 0 EHADRM CC[C@@H](OCCNC(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccccc1 ZINC000864150842 979761166 /nfs/dbraw/zinc/76/11/66/979761166.db2.gz JBDDQBCJSKUOFZ-GOSISDBHSA-N -1 0 341.407 3.591 20 0 EHADRM CC[C@H](CNc1ncnc2scc(-c3cccs3)c21)C(=O)[O-] ZINC001595176327 979765286 /nfs/dbraw/zinc/76/52/86/979765286.db2.gz QVQXELIOCODODV-SECBINFHSA-N -1 0 333.438 3.943 20 0 EHADRM CC[C@@H](COC(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2)C(=O)[O-] ZINC001595176605 979768334 /nfs/dbraw/zinc/76/83/34/979768334.db2.gz DQQZPPQSGIDZEK-DGWNHINDSA-N -1 0 348.361 3.789 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)/C=C\c3ccc(C(=O)[O-])o3)C2)cc1 ZINC000864157754 979769800 /nfs/dbraw/zinc/76/98/00/979769800.db2.gz RZKMOBZESGFGSZ-LUXYIKNCSA-N -1 0 339.391 3.704 20 0 EHADRM CN(C(=O)/C=C/c1cc(C(=O)[O-])co1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000864158152 979770039 /nfs/dbraw/zinc/77/00/39/979770039.db2.gz BXRKPVXFJCKNRI-PKRZQGHMSA-N -1 0 345.317 3.571 20 0 EHADRM O=C([O-])[C@H]1CCCCCN1C(=O)/C=C/c1ccsc1C(F)(F)F ZINC000864158388 979771155 /nfs/dbraw/zinc/77/11/55/979771155.db2.gz KAXGXTNEGFSCOE-MVIFTORASA-N -1 0 347.358 3.636 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC001592885816 979771758 /nfs/dbraw/zinc/77/17/58/979771758.db2.gz TXHJGRUCNPQOFG-CXAGYDPISA-N -1 0 335.419 3.544 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001592889838 979774388 /nfs/dbraw/zinc/77/43/88/979774388.db2.gz BHPURCAGFUENFV-CYBMUJFWSA-N -1 0 337.847 3.812 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC001592890336 979776892 /nfs/dbraw/zinc/77/68/92/979776892.db2.gz GLFDGSGDMRRFLJ-BLLLJJGKSA-N -1 0 337.847 3.668 20 0 EHADRM Cc1cccc2sc(C(=O)N[C@H]3CC=C(C(=O)[O-])C3)c(Cl)c21 ZINC000864165924 979789691 /nfs/dbraw/zinc/78/96/91/979789691.db2.gz RBLYAFXDCJQOQM-JTQLQIEISA-N -1 0 335.812 3.766 20 0 EHADRM CC(C)C[C@@H](C(=O)N[C@H]1CC=C(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000864167092 979792824 /nfs/dbraw/zinc/79/28/24/979792824.db2.gz BLDZZKNTWUKQLX-JKSUJKDBSA-N -1 0 335.831 3.759 20 0 EHADRM CC[C@@H](c1ccccc1OC)N(C)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000864178013 979823862 /nfs/dbraw/zinc/82/38/62/979823862.db2.gz VTZOLJNURAKVNA-PABFRNLHSA-N -1 0 343.379 3.609 20 0 EHADRM C[C@H](Cc1ccncc1)NC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001592903159 979832549 /nfs/dbraw/zinc/83/25/49/979832549.db2.gz VWWGQVVNWBUPBZ-CYBMUJFWSA-N -1 0 349.390 3.686 20 0 EHADRM CC1(C)C=Cc2cccc(NC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)c2O1 ZINC000864194908 979854997 /nfs/dbraw/zinc/85/49/97/979854997.db2.gz QZPDEYNQDZYPGA-KGLIPLIRSA-N -1 0 329.396 3.700 20 0 EHADRM C[C@@H](Cc1cncc2ccccc21)C(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC001592909287 979872581 /nfs/dbraw/zinc/87/25/81/979872581.db2.gz SUXMZXYOYNFHKL-IFXJQAMLSA-N -1 0 349.386 3.783 20 0 EHADRM C/C(Cl)=C\C(=O)N(Cc1ccoc1C(=O)[O-])[C@@H](C)c1ccccn1 ZINC001592913168 979886017 /nfs/dbraw/zinc/88/60/17/979886017.db2.gz XXZZHXZTQHXPEL-ZKQHCESOSA-N -1 0 348.786 3.605 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)[C@H](C)Cc2cccc(F)c2)c1 ZINC000864228125 979918759 /nfs/dbraw/zinc/91/87/59/979918759.db2.gz AXWCJTOQMSIFGC-RDTXWAMCSA-N -1 0 343.398 3.645 20 0 EHADRM CC[C@H](CSC)N(C)c1nc(C)nc2sc(C(=O)[O-])c(C)c21 ZINC001595202477 979954940 /nfs/dbraw/zinc/95/49/40/979954940.db2.gz BXAAKVLGYQMEEK-SNVBAGLBSA-N -1 0 339.486 3.584 20 0 EHADRM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001595204500 979977597 /nfs/dbraw/zinc/97/75/97/979977597.db2.gz JWIHBKGWBTXLRX-ZDUSSCGKSA-N -1 0 347.802 3.576 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)N1C[C@H](C(=O)[O-])Cc2ccccc21 ZINC001595211327 979990633 /nfs/dbraw/zinc/99/06/33/979990633.db2.gz SCVZOPXAQMFTQM-FUHWJXTLSA-N -1 0 337.419 3.545 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001595212141 979996701 /nfs/dbraw/zinc/99/67/01/979996701.db2.gz XJXOCQXIEOSDST-JXFKEZNVSA-N -1 0 331.456 3.795 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)O[C@H](C)c1nc(C(=O)[O-])co1 ZINC001595212214 979998088 /nfs/dbraw/zinc/99/80/88/979998088.db2.gz YIQVSTVRWPCNDO-OCCSQVGLSA-N -1 0 331.368 3.554 20 0 EHADRM CC(F)(F)c1c(F)cccc1NC(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001592943167 980013193 /nfs/dbraw/zinc/01/31/93/980013193.db2.gz CYZDEISRZLRFFY-SNVBAGLBSA-N -1 0 344.333 3.560 20 0 EHADRM CC(F)(F)c1ccc(C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])cc1 ZINC001592944296 980021121 /nfs/dbraw/zinc/02/11/21/980021121.db2.gz XNKBKJMIRYBNGK-AWEZNQCLSA-N -1 0 339.382 3.809 20 0 EHADRM C[C@H](F)CCNc1cc(C(=O)[O-])nc2ccc(Br)cc21 ZINC001592950408 980028757 /nfs/dbraw/zinc/02/87/57/980028757.db2.gz GZZMRAXGRAXHOC-QMMMGPOBSA-N -1 0 341.180 3.856 20 0 EHADRM CC[C@@H](Cc1ccccc1C(F)(F)F)Nc1nccc(C(=O)[O-])n1 ZINC001595218595 980034371 /nfs/dbraw/zinc/03/43/71/980034371.db2.gz KFZODVFHFYMVMC-NSHDSACASA-N -1 0 339.317 3.627 20 0 EHADRM CC1(C)[C@H](c2ccccc2F)CC[N@@H+]1Cc1nc(C(=O)[O-])cs1 ZINC000872164439 980058464 /nfs/dbraw/zinc/05/84/64/980058464.db2.gz ICQRBGRZYSMEPO-LBPRGKRZSA-N -1 0 334.416 3.749 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1sccc1C(F)F)c1ccccc1 ZINC000872711791 980091755 /nfs/dbraw/zinc/09/17/55/980091755.db2.gz BJHOMOJSUMQRLE-BXKDBHETSA-N -1 0 339.363 3.878 20 0 EHADRM CC[C@](NC(=O)/C(C)=C/c1ccc(C)cc1)(C(=O)[O-])c1ccccc1 ZINC001595232572 980124637 /nfs/dbraw/zinc/12/46/37/980124637.db2.gz DOCGFNACGREDJR-DGWAXEAPSA-N -1 0 337.419 3.905 20 0 EHADRM CC[C@](NC(=O)[C@@H]1C[C@@H]1C1CCCC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595236593 980137056 /nfs/dbraw/zinc/13/70/56/980137056.db2.gz JPUBKHCKBPLPFO-GPMSIDNRSA-N -1 0 349.858 3.972 20 0 EHADRM C[C@@H](NC(=O)/C=C/c1cc(C(=O)[O-])co1)c1c(F)cccc1Cl ZINC001593008348 980230301 /nfs/dbraw/zinc/23/03/01/980230301.db2.gz FJPFFPNDDIRCIB-VUHVRTRXSA-N -1 0 337.734 3.661 20 0 EHADRM C[C@H](NC(=O)/C=C/C1CCCCCC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593008398 980231398 /nfs/dbraw/zinc/23/13/98/980231398.db2.gz GKDWHNLABVZUHL-DJKWXERGSA-N -1 0 343.467 3.961 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(SC)c(C(=O)[O-])c1)c1ccncc1 ZINC001595257052 980243380 /nfs/dbraw/zinc/24/33/80/980243380.db2.gz NGIVEVMRCHPDNE-CQSZACIVSA-N -1 0 345.424 3.775 20 0 EHADRM CC[C@](NC(=O)c1cccc(C)c1F)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595270704 980287043 /nfs/dbraw/zinc/28/70/43/980287043.db2.gz NDBDHJAFRAUMFF-GOSISDBHSA-N -1 0 349.789 3.907 20 0 EHADRM CC[C@H](NC(=O)c1ccoc1CC(=O)[O-])c1cccc2ccccc21 ZINC001595272209 980291231 /nfs/dbraw/zinc/29/12/31/980291231.db2.gz MBDQKYDGWFHJSA-KRWDZBQOSA-N -1 0 337.375 3.941 20 0 EHADRM CC[C@@H](NC(=O)c1ccoc1CC(=O)[O-])c1cccc2ccccc21 ZINC001595272210 980291339 /nfs/dbraw/zinc/29/13/39/980291339.db2.gz MBDQKYDGWFHJSA-QGZVFWFLSA-N -1 0 337.375 3.941 20 0 EHADRM O=C([O-])c1cccc(NCc2c(C(F)(F)F)nc3n2CCCC3)c1 ZINC000901487010 980311154 /nfs/dbraw/zinc/31/11/54/980311154.db2.gz WITJVNJQZMEZDG-UHFFFAOYSA-N -1 0 339.317 3.549 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(Cc2cccc(F)c2OC(F)(F)F)C1 ZINC000901553698 980379412 /nfs/dbraw/zinc/37/94/12/980379412.db2.gz ZKLWAUWTCDXNDG-NSHDSACASA-N -1 0 349.324 3.801 20 0 EHADRM CCO[P@](C)(=O)CC[C@H](C)Nc1cccc(CCC(=O)[O-])c1 ZINC000901554951 980380592 /nfs/dbraw/zinc/38/05/92/980380592.db2.gz JEFFYNCGSOXLSB-XMHCIUCPSA-N -1 0 327.361 3.839 20 0 EHADRM CC[C@@](NCc1nc2ccccc2o1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595305673 980449929 /nfs/dbraw/zinc/44/99/29/980449929.db2.gz LTKUOOCOHUDGQI-SFHVURJKSA-N -1 0 344.798 3.961 20 0 EHADRM COc1cc(F)cc(OC)c1CNc1cccc([C@H](C)C(=O)[O-])c1 ZINC000901814385 980536058 /nfs/dbraw/zinc/53/60/58/980536058.db2.gz HNXJWURGHJZDDZ-NSHDSACASA-N -1 0 333.359 3.643 20 0 EHADRM COCCOCc1ccc(CNc2cccc([C@H](C)C(=O)[O-])c2)cc1 ZINC000901816303 980537346 /nfs/dbraw/zinc/53/73/46/980537346.db2.gz NOCJAUGZFOKFIF-HNNXBMFYSA-N -1 0 343.423 3.650 20 0 EHADRM COc1cc2c(c(CNc3cccc([C@@H](C)C(=O)[O-])c3)c1)O[C@H](C)C2 ZINC000901818515 980538467 /nfs/dbraw/zinc/53/84/67/980538467.db2.gz XNSNBJHRWJHDBB-CHWSQXEVSA-N -1 0 341.407 3.819 20 0 EHADRM CC[C@@H](OC(=O)c1cc(-c2ccc(C)o2)nc2ccccc21)C(=O)[O-] ZINC001595345213 980630913 /nfs/dbraw/zinc/63/09/13/980630913.db2.gz RHLOOWKEXADICR-MRXNPFEDSA-N -1 0 339.347 3.823 20 0 EHADRM CC[C@H](OC)C(=O)Nc1ccc(Oc2ccccc2)cc1C(=O)[O-] ZINC001595354608 980693753 /nfs/dbraw/zinc/69/37/53/980693753.db2.gz AEOPZKZAEFXHEY-INIZCTEOSA-N -1 0 329.352 3.541 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1Cc1ncc(Cl)s1 ZINC000902047902 980712986 /nfs/dbraw/zinc/71/29/86/980712986.db2.gz UPEOMUQJRKLNNO-NEPJUHHUSA-N -1 0 328.865 3.652 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001595356748 980715197 /nfs/dbraw/zinc/71/51/97/980715197.db2.gz JUYBYOMKPXYGDX-VYDXJSESSA-N -1 0 347.455 3.727 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ncc(C(=O)[O-])cc1Cl ZINC001595356769 980716188 /nfs/dbraw/zinc/71/61/88/980716188.db2.gz KRRMVGHZFSDJFC-AWEZNQCLSA-N -1 0 348.786 3.538 20 0 EHADRM CC(C)(C)NC(=O)c1ccc(NCc2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC000902092772 980729940 /nfs/dbraw/zinc/72/99/40/980729940.db2.gz KNOUTMQLEFYWMK-ZHACJKMWSA-N -1 0 342.395 3.518 20 0 EHADRM O=C([O-])CCC[C@H]1CCC[C@H](Nc2ccc3c(c2)CCC(=O)N3)C1 ZINC000902100369 980733701 /nfs/dbraw/zinc/73/37/01/980733701.db2.gz DBYNVOAAQAELRV-HIFRSBDPSA-N -1 0 330.428 3.797 20 0 EHADRM COCCOc1ccc(N[C@@H]2CC[C@H](CC(=O)[O-])[C@H]2C)cc1Cl ZINC000902151465 980759003 /nfs/dbraw/zinc/75/90/03/980759003.db2.gz AWROGDAAWVPXAC-LALPHHSUSA-N -1 0 341.835 3.667 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC001595361698 980764493 /nfs/dbraw/zinc/76/44/93/980764493.db2.gz MGCBYRHUEVIENW-RCCFBDPRSA-N -1 0 329.440 3.877 20 0 EHADRM CCc1oc(CN[C@@H]2CCCOc3ccc(F)cc32)cc1C(=O)[O-] ZINC000902177094 980769950 /nfs/dbraw/zinc/76/99/50/980769950.db2.gz NPITXEZRTDGBNJ-OAHLLOKOSA-N -1 0 333.359 3.683 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])Cc1ccsc1C(=O)OC ZINC001595362926 980776989 /nfs/dbraw/zinc/77/69/89/980776989.db2.gz UAOVCVICPZZFKU-HNNXBMFYSA-N -1 0 347.436 3.573 20 0 EHADRM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000005423116 1014683836 /nfs/dbraw/zinc/68/38/36/1014683836.db2.gz MRRSUCKKLVEVJR-UHFFFAOYSA-N -1 0 347.484 3.885 20 0 EHADRM CC[C@H](c1ccncc1)N(CC)C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001595364324 980792339 /nfs/dbraw/zinc/79/23/39/980792339.db2.gz TWNDHYKKHMPFLI-MRXNPFEDSA-N -1 0 330.359 3.532 20 0 EHADRM CCC1(C(=O)N2CCc3ccc(C(=O)[O-])cc32)CCC(F)(F)CC1 ZINC001595365362 980803677 /nfs/dbraw/zinc/80/36/77/980803677.db2.gz RLWWFRXGBXVKRD-UHFFFAOYSA-N -1 0 337.366 3.880 20 0 EHADRM CC(=O)N(C)c1cccc(N[C@H]2CCC[C@H](CCCC(=O)[O-])C2)c1 ZINC000902294611 980821397 /nfs/dbraw/zinc/82/13/97/980821397.db2.gz WTKBRRBNHHKNOI-CVEARBPZSA-N -1 0 332.444 3.895 20 0 EHADRM CCC1(C(=O)OCC(=O)Nc2cc(C(=O)[O-])ccc2C)CCCCC1 ZINC001595368895 980831863 /nfs/dbraw/zinc/83/18/63/980831863.db2.gz QCYLITBOXUPJOZ-UHFFFAOYSA-N -1 0 347.411 3.535 20 0 EHADRM CC[C@@]1(C)CN(C(=O)Nc2cccc3cc(C(=O)[O-])sc32)CCO1 ZINC001595370182 980839951 /nfs/dbraw/zinc/83/99/51/980839951.db2.gz DREJHAZVCZOZNA-KRWDZBQOSA-N -1 0 348.424 3.632 20 0 EHADRM CCC1(C)CCN(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)CC1 ZINC001595371319 980850278 /nfs/dbraw/zinc/85/02/78/980850278.db2.gz ZTMACXBZPUNZCP-UHFFFAOYSA-N -1 0 329.400 3.910 20 0 EHADRM O=C([O-])c1cccc(CNC2(c3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000902368538 980857297 /nfs/dbraw/zinc/85/72/97/980857297.db2.gz IIDOKLLFINVJMA-UHFFFAOYSA-N -1 0 336.313 3.578 20 0 EHADRM Cc1cc(Cl)ccc1C1=CCN(Cc2cc(C(=O)[O-])no2)CC1 ZINC000902419110 980878299 /nfs/dbraw/zinc/87/82/99/980878299.db2.gz KCIUCZFSLUUOFY-UHFFFAOYSA-N -1 0 332.787 3.624 20 0 EHADRM CCC1(CC)CCc2nc(NC(=O)c3ccc(C(=O)[O-])o3)sc2C1 ZINC001595375876 980900573 /nfs/dbraw/zinc/90/05/73/980900573.db2.gz XTCQEMBVWGKTAS-UHFFFAOYSA-N -1 0 348.424 3.982 20 0 EHADRM CCC1(CC)Oc2ccc(NC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)cc2O1 ZINC001595376638 980907763 /nfs/dbraw/zinc/90/77/63/980907763.db2.gz FXIGFAOWVRAZCT-OLZOCXBDSA-N -1 0 347.411 3.804 20 0 EHADRM c1noc(C2CC2)c1CSc1n[n-]c(=Nc2ccccc2)s1 ZINC000538015964 1032101957 /nfs/dbraw/zinc/10/19/57/1032101957.db2.gz SPUCYMAHYIPQPG-UHFFFAOYSA-N -1 0 330.438 3.861 20 0 EHADRM CCC1(c2nc(COc3cccc(C(=O)[O-])c3)no2)CCCCC1 ZINC001595399846 980973402 /nfs/dbraw/zinc/97/34/02/980973402.db2.gz ZJADDTKFQACBQH-UHFFFAOYSA-N -1 0 330.384 3.959 20 0 EHADRM COc1ccc2[nH]c3c(c2c1)CCN([C@H](C)c1ccc(C(=O)[O-])o1)C3 ZINC000903618222 980996108 /nfs/dbraw/zinc/99/61/08/980996108.db2.gz CIDJEYILGRJTBV-LLVKDONJSA-N -1 0 340.379 3.587 20 0 EHADRM CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001595409114 981005296 /nfs/dbraw/zinc/00/52/96/981005296.db2.gz SHFHEASTIJHCQS-CHWSQXEVSA-N -1 0 334.416 3.824 20 0 EHADRM C[C@@H](NCc1ccc(C(=O)[O-])s1)c1nc(C2CCCCC2)no1 ZINC000903684511 981012478 /nfs/dbraw/zinc/01/24/78/981012478.db2.gz BNTNKLATRAEEMW-SNVBAGLBSA-N -1 0 335.429 3.728 20 0 EHADRM CCC1CCC(NC(=O)C[C@H](C)c2cccc(F)c2)(C(=O)[O-])CC1 ZINC001595420803 981038273 /nfs/dbraw/zinc/03/82/73/981038273.db2.gz JCXIYAMEVMKEDN-CDJWAVJASA-N -1 0 335.419 3.859 20 0 EHADRM CCC1CCC(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)(C(=O)[O-])CC1 ZINC001595422368 981042078 /nfs/dbraw/zinc/04/20/78/981042078.db2.gz UJUWFTSVEZWCLL-GGXOKCCSSA-N -1 0 349.858 3.983 20 0 EHADRM CC[C@H]1CCC[C@H](NC(=O)Nc2cc(C(=O)[O-])cnc2Cl)C1 ZINC001595432596 981058308 /nfs/dbraw/zinc/05/83/08/981058308.db2.gz VGBKMKYBMLVQDT-ONGXEEELSA-N -1 0 325.796 3.524 20 0 EHADRM CC[C@@H]1CCC[C@H]1C(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001595435746 981066389 /nfs/dbraw/zinc/06/63/89/981066389.db2.gz MLWQLOSDPIGSOX-NXEZZACHSA-N -1 0 340.217 3.912 20 0 EHADRM CC[C@@H]1CCC[C@]1(C)C(=O)N[C@@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001595436776 981071179 /nfs/dbraw/zinc/07/11/79/981071179.db2.gz VWTNFXVDFTUZMZ-MCNSXXNHSA-N -1 0 331.456 3.651 20 0 EHADRM CC[C@@H]1CCCC[C@H]1CNC(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001595442099 981082060 /nfs/dbraw/zinc/08/20/60/981082060.db2.gz YJPZRUZDNLKWRQ-PBHICJAKSA-N -1 0 344.455 3.669 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cnn(C(C)C)c1Cl ZINC000905006400 981085577 /nfs/dbraw/zinc/08/55/77/981085577.db2.gz MSMMKKSSKDIPRR-UHFFFAOYSA-N -1 0 335.791 3.630 20 0 EHADRM COc1cc(Cl)c(Cl)cc1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000905116175 981089831 /nfs/dbraw/zinc/08/98/31/981089831.db2.gz ZLJOHPPQDPHLEQ-BDAKNGLRSA-N -1 0 346.210 3.832 20 0 EHADRM CC[C@H]1CCCC[C@@H]1N(C)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001595445143 981091149 /nfs/dbraw/zinc/09/11/49/981091149.db2.gz WOPWYJPAIKHPDK-RDJZCZTQSA-N -1 0 332.444 3.538 20 0 EHADRM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001595446660 981093535 /nfs/dbraw/zinc/09/35/35/981093535.db2.gz ASDXYLUAPJQVHI-QMTHXVAHSA-N -1 0 341.354 3.587 20 0 EHADRM CC(C)(C)[C@H](NCc1ccc(C(=O)[O-])cn1)c1ccc(F)cc1F ZINC000905726486 981125692 /nfs/dbraw/zinc/12/56/92/981125692.db2.gz RSCSKUIWFQARHI-MRXNPFEDSA-N -1 0 334.366 3.935 20 0 EHADRM CC[C@@H]1CCC[C@@H]1CNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001595457280 981129047 /nfs/dbraw/zinc/12/90/47/981129047.db2.gz ULRDEKIEYYIUGN-ZIAGYGMSSA-N -1 0 332.444 3.997 20 0 EHADRM Cc1noc(Cc2ccc(N[C@@H](C)CC(C)(C)CC(=O)[O-])cc2)n1 ZINC000905750407 981137879 /nfs/dbraw/zinc/13/78/79/981137879.db2.gz DHFKOHSJUPUUEH-LBPRGKRZSA-N -1 0 331.416 3.660 20 0 EHADRM CC[C@@H]1CCCc2sc(NC(=O)c3cc(C(=O)[O-])oc3C)nc21 ZINC001595459656 981139835 /nfs/dbraw/zinc/13/98/35/981139835.db2.gz KOELHYFMWCOWCY-SECBINFHSA-N -1 0 334.397 3.825 20 0 EHADRM CC[C@@H]1CN(Cc2cncc(C(=O)[O-])c2)c2cccc(Cl)c2O1 ZINC001595491368 981249095 /nfs/dbraw/zinc/24/90/95/981249095.db2.gz SZUCZHXVHORBBA-CYBMUJFWSA-N -1 0 332.787 3.611 20 0 EHADRM CC[C@@H]1c2ccccc2CCN1C(=O)c1ccccc1CCC(=O)[O-] ZINC001595504544 981278687 /nfs/dbraw/zinc/27/86/87/981278687.db2.gz LRWADMUDOUGQJF-LJQANCHMSA-N -1 0 337.419 3.853 20 0 EHADRM CC[C@H]1c2ccsc2CCN1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001595504615 981279126 /nfs/dbraw/zinc/27/91/26/981279126.db2.gz OTVWLGDXRTYRMN-HNNXBMFYSA-N -1 0 341.436 3.832 20 0 EHADRM CCSc1ccc(CC(=O)NCCCCC2(C(=O)[O-])CCC2)cc1 ZINC000908336970 981302218 /nfs/dbraw/zinc/30/22/18/981302218.db2.gz QTEUBKZBXBBHPG-UHFFFAOYSA-N -1 0 349.496 3.883 20 0 EHADRM COc1cccc([C@H](C)CC(=O)NCCCCC2(C(=O)[O-])CCC2)c1 ZINC000908340540 981304735 /nfs/dbraw/zinc/30/47/35/981304735.db2.gz ZHELZVSMMNVBPA-OAHLLOKOSA-N -1 0 347.455 3.730 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCCCCC2(C(=O)[O-])CCC2)o1 ZINC000908345072 981305740 /nfs/dbraw/zinc/30/57/40/981305740.db2.gz XSDSHEGVVBUHSN-ZBFHGGJFSA-N -1 0 347.455 3.877 20 0 EHADRM COc1c(NC(=O)[C@H](C)CCc2ccccc2F)cccc1C(=O)[O-] ZINC000908507275 981320038 /nfs/dbraw/zinc/32/00/38/981320038.db2.gz KKVAHQXBBQCEIL-GFCCVEGCSA-N -1 0 345.370 3.740 20 0 EHADRM CCCc1cc(C(=O)Nc2nc(CC(=O)[O-])cs2)ccc1Cl ZINC000908579134 981320703 /nfs/dbraw/zinc/32/07/03/981320703.db2.gz ASFZGGYKCRYAML-UHFFFAOYSA-N -1 0 338.816 3.628 20 0 EHADRM CC(C)c1ccc2occ(C(=O)N3CCC4(C[C@H]4C(=O)[O-])CC3)c2c1 ZINC000908657077 981335830 /nfs/dbraw/zinc/33/58/30/981335830.db2.gz GMRUJBUICFOIJR-INIZCTEOSA-N -1 0 341.407 3.883 20 0 EHADRM C[C@@H](c1ccc(C(=O)N2CCC(CC(=O)[O-])CC2)cc1)C(F)(F)F ZINC000908682022 981338107 /nfs/dbraw/zinc/33/81/07/981338107.db2.gz QECNADHOCLAJNQ-NSHDSACASA-N -1 0 343.345 3.679 20 0 EHADRM COc1ccccc1-c1cccc(NC(=O)C23CC(C(=O)[O-])(C2)C3)c1 ZINC000908713177 981344897 /nfs/dbraw/zinc/34/48/97/981344897.db2.gz QVTPJQAOWCECTF-UHFFFAOYSA-N -1 0 337.375 3.556 20 0 EHADRM CCCC(=CC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1)CCC ZINC001595522523 981345087 /nfs/dbraw/zinc/34/50/87/981345087.db2.gz RYIYHPDZFACORW-QZTJIDSGSA-N -1 0 329.440 3.840 20 0 EHADRM CC(C)[C@H](CNC(=O)C12CCC(C(=O)[O-])(CC1)C2)c1ccccc1 ZINC000908737266 981350542 /nfs/dbraw/zinc/35/05/42/981350542.db2.gz SGKKIEYTQRNGJN-DZIBYMRMSA-N -1 0 329.440 3.578 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)c2ccccc2CCC(=O)[O-])c1 ZINC000908772227 981359383 /nfs/dbraw/zinc/35/93/83/981359383.db2.gz NTEYFPPOXICQNY-CYBMUJFWSA-N -1 0 327.380 3.664 20 0 EHADRM Cc1cc(SC(C)(C)C)ccc1NC(=O)c1cc(C(=O)[O-])on1 ZINC000908773934 981360188 /nfs/dbraw/zinc/36/01/88/981360188.db2.gz ONLFXCBFLGJFNN-UHFFFAOYSA-N -1 0 334.397 3.824 20 0 EHADRM CCN(C(=O)c1[nH]c2ccccc2c1CC(=O)[O-])[C@H]1CCCC[C@H]1C ZINC000908780512 981361532 /nfs/dbraw/zinc/36/15/32/981361532.db2.gz QWFXMZPKWOSTHN-DYVFJYSZSA-N -1 0 342.439 3.836 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@H](Cc3ccccc3)C3CC3)(CC1)CC2 ZINC000908818033 981367793 /nfs/dbraw/zinc/36/77/93/981367793.db2.gz SZQQWTLUVTYWLH-MDMXATFFSA-N -1 0 341.451 3.549 20 0 EHADRM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)c1ccoc1CC(=O)[O-] ZINC000908825214 981368891 /nfs/dbraw/zinc/36/88/91/981368891.db2.gz DGSSYRDPZIALEA-AWEZNQCLSA-N -1 0 341.407 3.910 20 0 EHADRM O=C([O-])C12CCC(C(=O)NCCc3cc4ccccc4o3)(CC1)CC2 ZINC000908827283 981369636 /nfs/dbraw/zinc/36/96/36/981369636.db2.gz OHJFOWUHISZLHW-UHFFFAOYSA-N -1 0 341.407 3.517 20 0 EHADRM CCC[C@@H]1C[C@H](C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)CCO1 ZINC000908898284 981383954 /nfs/dbraw/zinc/38/39/54/981383954.db2.gz HATVJKRQNKUKOP-UKRRQHHQSA-N -1 0 349.427 3.706 20 0 EHADRM CCC[C@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccccn1 ZINC001595537034 981384881 /nfs/dbraw/zinc/38/48/81/981384881.db2.gz FTHKKYFIDPZIFL-GOEBONIOSA-N -1 0 347.798 3.988 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc([C@H](C)C(F)(F)F)cc1 ZINC000909052339 981406857 /nfs/dbraw/zinc/40/68/57/981406857.db2.gz AKUJUNFLSPCSJA-BONVTDFDSA-N -1 0 331.334 3.726 20 0 EHADRM Cc1sc(CC(=O)Nc2ccc(F)c(C(=O)[O-])c2)nc1C(C)C ZINC000909108235 981418075 /nfs/dbraw/zinc/41/80/75/981418075.db2.gz SGQNVRGAASVDSN-UHFFFAOYSA-N -1 0 336.388 3.593 20 0 EHADRM Cc1ccsc1CCCC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000909133955 981423658 /nfs/dbraw/zinc/42/36/58/981423658.db2.gz JMDVRASYWKLFAO-UHFFFAOYSA-N -1 0 331.437 3.736 20 0 EHADRM CCCc1nc(C)c(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)o1 ZINC000909298832 981464987 /nfs/dbraw/zinc/46/49/87/981464987.db2.gz ZVYSCNHTJOURBO-UHFFFAOYSA-N -1 0 330.384 3.550 20 0 EHADRM CC1(C)C[C@H](C(=O)Nc2cc(C(=O)[O-])ccc2F)c2ccccc2O1 ZINC000909322326 981468072 /nfs/dbraw/zinc/46/80/72/981468072.db2.gz WMWIYAHCQXBWJG-ZDUSSCGKSA-N -1 0 343.354 3.807 20 0 EHADRM CC[C@@H]1CN(C(=O)c2ccoc2CC(=O)[O-])CC[C@H]1c1ccccc1 ZINC000909415389 981489448 /nfs/dbraw/zinc/48/94/48/981489448.db2.gz ONBBFRZILBZOLS-GDBMZVCRSA-N -1 0 341.407 3.563 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)C2(C(F)(F)F)CCC2)cc1)C(=O)[O-] ZINC000909520079 981525857 /nfs/dbraw/zinc/52/58/57/981525857.db2.gz MTPGGZCUPWBWBF-JTQLQIEISA-N -1 0 329.318 3.621 20 0 EHADRM Cc1ccc(CCC(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)s1 ZINC000909533374 981534463 /nfs/dbraw/zinc/53/44/63/981534463.db2.gz ATGHVIVKCRHJTF-MRXNPFEDSA-N -1 0 345.464 3.581 20 0 EHADRM Cc1c(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)cccc1C(F)(F)F ZINC000909540982 981537349 /nfs/dbraw/zinc/53/73/49/981537349.db2.gz HMWKRTGRKZHNOK-UHFFFAOYSA-N -1 0 341.329 3.987 20 0 EHADRM CCC[C@H](CC)SCc1c(C(=O)[O-])sc(N)c1C(=O)OC ZINC001595587171 981539264 /nfs/dbraw/zinc/53/92/64/981539264.db2.gz DGNUEBPCAOOZPY-QMMMGPOBSA-N -1 0 331.459 3.627 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N1CCc2c(Cl)cc(Cl)cc2[C@@H]1C ZINC001594744826 981626728 /nfs/dbraw/zinc/62/67/28/981626728.db2.gz BMGPTESQAYLPAT-WCBMZHEXSA-N -1 0 330.211 3.550 20 0 EHADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000909801831 981632445 /nfs/dbraw/zinc/63/24/45/981632445.db2.gz YZBWEKHRAJZDKH-SJCJKPOMSA-N -1 0 343.354 3.553 20 0 EHADRM CC(C)[C@@H](C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1)c1cccnc1 ZINC000909834992 981653411 /nfs/dbraw/zinc/65/34/11/981653411.db2.gz PTUODWFRGOVVCX-SUMWQHHRSA-N -1 0 326.396 3.648 20 0 EHADRM CCC[C@@]1(COC)CCCN1C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC001595618388 981665045 /nfs/dbraw/zinc/66/50/45/981665045.db2.gz VFWXIEZGKDCNDD-IBGZPJMESA-N -1 0 348.443 3.815 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1ccc2[nH]c(C3CCCCC3)nc2c1 ZINC001594759159 981685922 /nfs/dbraw/zinc/68/59/22/981685922.db2.gz DVRCKHFKBLKJSX-CYBMUJFWSA-N -1 0 329.400 3.660 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1ccc(Oc2cccc(OC)c2)cc1 ZINC001594760357 981691028 /nfs/dbraw/zinc/69/10/28/981691028.db2.gz XRTLHKGKSAAYHJ-MRXNPFEDSA-N -1 0 329.352 3.537 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 ZINC001594761372 981692475 /nfs/dbraw/zinc/69/24/75/981692475.db2.gz AUIJOKVZCUCUDM-MRXNPFEDSA-N -1 0 347.798 3.968 20 0 EHADRM CCC[C@@H]1C[C@@H](C(=O)Oc2ccc(C(=O)[O-])cc2Cl)CCO1 ZINC001595620966 981695297 /nfs/dbraw/zinc/69/52/97/981695297.db2.gz YSNBSFJDLZRSNG-NWDGAFQWSA-N -1 0 326.776 3.539 20 0 EHADRM C[C@H](Oc1ccc(C(=O)NC2(CC(=O)[O-])CC2)cc1)c1ccccc1 ZINC000909900099 981699432 /nfs/dbraw/zinc/69/94/32/981699432.db2.gz JMBDPSRKIJMLIH-AWEZNQCLSA-N -1 0 339.391 3.564 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@@H](C)c1ccccc1C)c1ccccc1 ZINC001594764242 981705937 /nfs/dbraw/zinc/70/59/37/981705937.db2.gz LCVNUFGMEDERQC-MAUKXSAKSA-N -1 0 325.408 3.995 20 0 EHADRM CCC[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001595622639 981712784 /nfs/dbraw/zinc/71/27/84/981712784.db2.gz UXXQMKIVNPDIJU-BLLLJJGKSA-N -1 0 336.407 3.682 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)Cc1cccc2cnccc21)c1ccccc1 ZINC001594767135 981724101 /nfs/dbraw/zinc/72/41/01/981724101.db2.gz BYYOFKPDXUUGOR-LJQANCHMSA-N -1 0 348.402 3.674 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1ccccc1OC1CC1)c1ccccc1 ZINC001594771187 981745545 /nfs/dbraw/zinc/74/55/45/981745545.db2.gz QOWKUZARHZHFPP-KRWDZBQOSA-N -1 0 339.391 3.738 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)CCSc1ccc(C)cc1 ZINC001594781669 981788314 /nfs/dbraw/zinc/78/83/14/981788314.db2.gz MAFDBHZHMDGODX-IBGZPJMESA-N -1 0 349.496 3.969 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@@H](C)c1ccc(Cl)cc1 ZINC001594782161 981789509 /nfs/dbraw/zinc/78/95/09/981789509.db2.gz ODVFIHLQXMBZON-KPZWWZAWSA-N -1 0 337.847 3.935 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)C1(c2ccc(C)cc2)CCC1 ZINC001594783489 981795428 /nfs/dbraw/zinc/79/54/28/981795428.db2.gz XVJKEQWGHUMIIZ-FQEVSTJZSA-N -1 0 343.467 3.909 20 0 EHADRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)/C=C/C(C)(C)C ZINC000910256143 981832771 /nfs/dbraw/zinc/83/27/71/981832771.db2.gz SXDPKYAVJBEUNX-AATRIKPKSA-N -1 0 340.217 3.997 20 0 EHADRM CCOc1ccc(N(CC2CC2)C(=O)c2oc(C(=O)[O-])cc2C)cc1 ZINC000910256678 981834008 /nfs/dbraw/zinc/83/40/08/981834008.db2.gz PTLHOBICTHQGGG-UHFFFAOYSA-N -1 0 343.379 3.742 20 0 EHADRM CCCC[C@@H](C)C(=O)OCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001595631606 981841471 /nfs/dbraw/zinc/84/14/71/981841471.db2.gz WOSQPSURTKNGFO-GFCCVEGCSA-N -1 0 331.368 3.909 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(F)cc1Cl ZINC001594790785 981843700 /nfs/dbraw/zinc/84/37/00/981843700.db2.gz HDZXHTBXZUNVPJ-MRXNPFEDSA-N -1 0 327.783 3.585 20 0 EHADRM CCCC[C@@H](C)N(CCCC)C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001595632501 981856970 /nfs/dbraw/zinc/85/69/70/981856970.db2.gz ZXHORBHVIJFLFU-CQSZACIVSA-N -1 0 335.448 3.921 20 0 EHADRM CCCC[C@@H](CC)CNC(=S)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595632892 981861923 /nfs/dbraw/zinc/86/19/23/981861923.db2.gz VAMFJZAGKIGHOT-WDEREUQCSA-N -1 0 343.518 3.583 20 0 EHADRM Cc1sc([C@@H]2CCCN2c2nc(C)cc(C(C)C)n2)nc1C(=O)[O-] ZINC000910316593 981871540 /nfs/dbraw/zinc/87/15/40/981871540.db2.gz TVMGWDSTVXOCCN-ZDUSSCGKSA-N -1 0 346.456 3.713 20 0 EHADRM CCCC[C@H](CCC)NC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595633835 981878082 /nfs/dbraw/zinc/87/80/82/981878082.db2.gz XWRUXVIVHKNANW-QWRGUYRKSA-N -1 0 327.450 3.560 20 0 EHADRM CCCC[C@H](CCC)NC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001595633834 981878310 /nfs/dbraw/zinc/87/83/10/981878310.db2.gz XWRUXVIVHKNANW-MNOVXSKESA-N -1 0 327.450 3.560 20 0 EHADRM CCC(C)(C)C1CCC2(C[C@H]2C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)CC1 ZINC001594796821 981881934 /nfs/dbraw/zinc/88/19/34/981881934.db2.gz MUSWQJQZHXFYLO-SIRSKZSMSA-N -1 0 333.472 3.909 20 0 EHADRM CC[C@H](NC(=O)C12CCC(C(=O)[O-])(CC1)CC2)c1ccccc1OC ZINC000910349488 981885503 /nfs/dbraw/zinc/88/55/03/981885503.db2.gz DAHXPSOACNGQES-VMEOHVCESA-N -1 0 345.439 3.688 20 0 EHADRM CCC(C)(C)C1CCC(NS(=O)(=O)CCCCCC(=O)[O-])CC1 ZINC001594797334 981887377 /nfs/dbraw/zinc/88/73/77/981887377.db2.gz ZFXYJNFZJBJIGQ-UHFFFAOYSA-N -1 0 347.521 3.546 20 0 EHADRM CCCC[C@H](NC(=O)c1cc(C)c(C(=O)[O-])o1)c1ccc(OC)cc1 ZINC001595636524 981918647 /nfs/dbraw/zinc/91/86/47/981918647.db2.gz YXMGQCHJKNPTBW-HNNXBMFYSA-N -1 0 345.395 3.956 20 0 EHADRM CCC(C)(C)c1ccc(OC(=O)c2cnc(C(=O)[O-])cn2)c(Cl)c1 ZINC001594815932 981947941 /nfs/dbraw/zinc/94/79/41/981947941.db2.gz VKAQYWNDLJPRBT-UHFFFAOYSA-N -1 0 348.786 3.735 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(C(C)C)nc2ccccc21 ZINC001594821176 981969003 /nfs/dbraw/zinc/96/90/03/981969003.db2.gz PGKHVXCQDTYRFI-IBGZPJMESA-N -1 0 328.412 3.731 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000910505844 981971210 /nfs/dbraw/zinc/97/12/10/981971210.db2.gz NEZCGTCNIRPQKX-NRFANRHFSA-N -1 0 337.419 3.855 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(Oc2ccccc2C)cn1 ZINC001594822459 981975053 /nfs/dbraw/zinc/97/50/53/981975053.db2.gz ZKQOUJVOWRBDNJ-LJQANCHMSA-N -1 0 342.395 3.556 20 0 EHADRM CCCC[C@H](OC(=O)c1cnc(-c2ccc(OC)cc2)s1)C(=O)[O-] ZINC001595644076 981975177 /nfs/dbraw/zinc/97/51/77/981975177.db2.gz AFWDXYOUIYTOQK-ZDUSSCGKSA-N -1 0 349.408 3.619 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1cc(-c2ccccc2)on1 ZINC000910510481 981975282 /nfs/dbraw/zinc/97/52/82/981975282.db2.gz ZPCFPMRXNQDILS-UHFFFAOYSA-N -1 0 344.411 3.551 20 0 EHADRM CCCC[C@@H](OC(=O)c1cc2c(cccc2OC(F)F)[nH]1)C(=O)[O-] ZINC001595644287 981976481 /nfs/dbraw/zinc/97/64/81/981976481.db2.gz DETFDFXLJINFMR-CYBMUJFWSA-N -1 0 341.310 3.570 20 0 EHADRM COc1ccc2oc(C)c(C(=O)N[C@H](CC(=O)[O-])C3CCCC3)c2c1 ZINC000910569066 981996254 /nfs/dbraw/zinc/99/62/54/981996254.db2.gz KIBFLYHVNOCFGM-OAHLLOKOSA-N -1 0 345.395 3.513 20 0 EHADRM CCCC[C@H](OC(=O)c1c(F)cc(C(F)(F)F)cc1F)C(=O)[O-] ZINC001595650724 982011939 /nfs/dbraw/zinc/01/19/39/982011939.db2.gz MFYVNUTUSJRELD-JTQLQIEISA-N -1 0 340.244 3.784 20 0 EHADRM CC[C@@](C)(CNC(=O)Nc1cccc2cc(C(=O)[O-])sc21)OC ZINC001594834641 982021657 /nfs/dbraw/zinc/02/16/57/982021657.db2.gz HSPOXUHNEKZYHO-INIZCTEOSA-N -1 0 336.413 3.536 20 0 EHADRM CCCC[C@@H](S[C@H](C)C(=O)Nc1ccc(C)c(F)c1)C(=O)[O-] ZINC001595651838 982026890 /nfs/dbraw/zinc/02/68/90/982026890.db2.gz LOVOKUMEBUMEIK-BXUZGUMPSA-N -1 0 327.421 3.838 20 0 EHADRM CC[C@](C)(NC(=O)CCCOc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC001594836684 982040416 /nfs/dbraw/zinc/04/04/16/982040416.db2.gz DJOHYTRLZAJIDC-HNNXBMFYSA-N -1 0 348.226 3.522 20 0 EHADRM CC[C@@H](C)n1ncc(NC(=O)c2ccc(C)c(C(=O)[O-])c2)c1C1CC1 ZINC000910648594 982041047 /nfs/dbraw/zinc/04/10/47/982041047.db2.gz LCKBAYXZCBZAFU-GFCCVEGCSA-N -1 0 341.411 3.990 20 0 EHADRM CC[C@](C)(NC(=O)CCCOc1ccc(C(C)(C)C)cc1C)C(=O)[O-] ZINC001594836763 982041225 /nfs/dbraw/zinc/04/12/25/982041225.db2.gz GOEGNSDAWGUNJB-FQEVSTJZSA-N -1 0 349.471 3.821 20 0 EHADRM CCCC[C@@H]1CCC[C@@H]1NC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001595661159 982074028 /nfs/dbraw/zinc/07/40/28/982074028.db2.gz QBEQIDFKQZJFKI-QAPCUYQASA-N -1 0 344.455 3.811 20 0 EHADRM CCCCC1CCC(C(=O)N[C@@H](C(=O)[O-])c2cccc(O)c2)CC1 ZINC001595661226 982074802 /nfs/dbraw/zinc/07/48/02/982074802.db2.gz SJZUCMGUFFCTJQ-MQBCKMQZSA-N -1 0 333.428 3.631 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)[C@@H](C)c2ccccc2)nc1C(=O)[O-] ZINC000910718214 982079917 /nfs/dbraw/zinc/07/99/17/982079917.db2.gz KJYXITUABNTISZ-FZMZJTMJSA-N -1 0 344.436 3.617 20 0 EHADRM C[C@H](CC(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)c1ccccc1F ZINC000910734422 982096150 /nfs/dbraw/zinc/09/61/50/982096150.db2.gz VGXHGKSPAHXYKF-SECBINFHSA-N -1 0 348.399 3.990 20 0 EHADRM CCCCC[C@](C)(CC)C(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001595666465 982100533 /nfs/dbraw/zinc/10/05/33/982100533.db2.gz JUHKHBARADNMBH-UGSOOPFHSA-N -1 0 335.448 3.529 20 0 EHADRM CCCCC[C@@H](CC)C(=O)N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001595668924 982112180 /nfs/dbraw/zinc/11/21/80/982112180.db2.gz DSSAVTPRAKGLSH-FRRDWIJNSA-N -1 0 337.382 3.705 20 0 EHADRM CC(C)(c1ccc(C(=O)NC2CC(CC(=O)[O-])C2)cc1)C(F)(F)F ZINC000910806727 982128222 /nfs/dbraw/zinc/12/82/22/982128222.db2.gz DHKGBEYFGRBDGE-UHFFFAOYSA-N -1 0 343.345 3.510 20 0 EHADRM O=C([O-])CC1CC(NC(=O)CCCc2csc3ccccc23)C1 ZINC000910807211 982128865 /nfs/dbraw/zinc/12/88/65/982128865.db2.gz QQBMDLXZUBMXTM-UHFFFAOYSA-N -1 0 331.437 3.594 20 0 EHADRM CC(C)(CNC(=O)C(C)(C)c1ccc(C(F)(F)F)cc1)CC(=O)[O-] ZINC000910831961 982143943 /nfs/dbraw/zinc/14/39/43/982143943.db2.gz RMFXILLTUNBCNZ-UHFFFAOYSA-N -1 0 345.361 3.600 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC001594865844 982170750 /nfs/dbraw/zinc/17/07/50/982170750.db2.gz LQVWJMBXPPFVCW-SCLBCKFNSA-N -1 0 343.398 3.970 20 0 EHADRM CC(C)(C)OCc1ccccc1NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000910945761 982170870 /nfs/dbraw/zinc/17/08/70/982170870.db2.gz YAIGXZDZXUPOCN-UHFFFAOYSA-N -1 0 341.407 3.881 20 0 EHADRM CCCC[C@@H](C(=O)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1)C(C)C ZINC000911046487 982211077 /nfs/dbraw/zinc/21/10/77/982211077.db2.gz OTRRLZBQLZKNLA-QWHCGFSZSA-N -1 0 338.473 3.620 20 0 EHADRM Cc1cc(NC(=O)CCC[C@@H](O)c2ccccc2)cc(C(=O)[O-])c1 ZINC000911066990 982224149 /nfs/dbraw/zinc/22/41/49/982224149.db2.gz IUKYMOZXKLETNW-QGZVFWFLSA-N -1 0 327.380 3.536 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000911136907 982254997 /nfs/dbraw/zinc/25/49/97/982254997.db2.gz WTZJZEACPSNFGB-LBPRGKRZSA-N -1 0 333.384 3.558 20 0 EHADRM CCCCCCNC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001595712243 982305396 /nfs/dbraw/zinc/30/53/96/982305396.db2.gz MICHVOPYWPHEQU-UHFFFAOYSA-N -1 0 344.358 3.731 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc(N2CCCCC2)c1 ZINC000911250731 982313410 /nfs/dbraw/zinc/31/34/10/982313410.db2.gz SRKHKPXSJPKAPQ-DLBZAZTESA-N -1 0 330.428 3.506 20 0 EHADRM CCCCCn1cc(CNCc2ccc(C(=O)[O-])cc2F)c(C)n1 ZINC001595726771 982347595 /nfs/dbraw/zinc/34/75/95/982347595.db2.gz DSUBQTDFNNNQDG-UHFFFAOYSA-N -1 0 333.407 3.509 20 0 EHADRM CC[C@H](C)CC(=O)N(Cc1ccoc1C(=O)[O-])[C@@H](C)c1ccccn1 ZINC000911327412 982351984 /nfs/dbraw/zinc/35/19/84/982351984.db2.gz FKMZZTHDKYTOIH-KBPBESRZSA-N -1 0 344.411 3.899 20 0 EHADRM CCCCN(C)C(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC001595734614 982374873 /nfs/dbraw/zinc/37/48/73/982374873.db2.gz WHWRXXZHVOQQES-UHFFFAOYSA-N -1 0 343.221 3.720 20 0 EHADRM CCCCN(C(=O)c1cccc(C(=O)[O-])n1)[C@H](C)c1ccccc1 ZINC001595735241 982377061 /nfs/dbraw/zinc/37/70/61/982377061.db2.gz AOHIVJZIIRKBCZ-CQSZACIVSA-N -1 0 326.396 3.783 20 0 EHADRM O=C([O-])CC1(CC(=O)N[C@@H](c2ccccc2)C(F)F)CCCC1 ZINC000911391967 982415046 /nfs/dbraw/zinc/41/50/46/982415046.db2.gz ZAYVDLHBIZJSFX-HNNXBMFYSA-N -1 0 325.355 3.534 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1ccc(OC(C)C)cc1Cl ZINC000911469850 982449161 /nfs/dbraw/zinc/44/91/61/982449161.db2.gz UDKGLWHTDWOKSH-UHFFFAOYSA-N -1 0 337.759 3.979 20 0 EHADRM CCCCOc1ccc(CNC(C)(C)c2nocc2C(=O)[O-])cc1 ZINC001595775686 982540028 /nfs/dbraw/zinc/54/00/28/982540028.db2.gz RGZRZTOLTNUJBB-UHFFFAOYSA-N -1 0 332.400 3.577 20 0 EHADRM CC[C@@H](C)CC(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC001594930726 982555548 /nfs/dbraw/zinc/55/55/48/982555548.db2.gz AKSFPGCQMHCUHX-PBHICJAKSA-N -1 0 327.424 3.636 20 0 EHADRM CCCCSc1ccc(Cl)cc1C(=O)N[C@H](C)CC(=O)[O-] ZINC001595792534 982593610 /nfs/dbraw/zinc/59/36/10/982593610.db2.gz UTVWYBDSRAHVOD-SNVBAGLBSA-N -1 0 329.849 3.825 20 0 EHADRM CC[C@H]1C[C@@H](CC(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)CCO1 ZINC000911734497 982619048 /nfs/dbraw/zinc/61/90/48/982619048.db2.gz TVCSBRLCCYOKFB-KBPBESRZSA-N -1 0 349.427 3.706 20 0 EHADRM COC1CCC(CC(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)CC1 ZINC000911738658 982621258 /nfs/dbraw/zinc/62/12/58/982621258.db2.gz UZDGRANSXBQREE-UHFFFAOYSA-N -1 0 349.427 3.706 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000911741552 982623846 /nfs/dbraw/zinc/62/38/46/982623846.db2.gz CPAHCQRZSIIHDD-XCDZQEORSA-N -1 0 341.451 3.815 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)C1 ZINC000911743578 982625884 /nfs/dbraw/zinc/62/58/84/982625884.db2.gz RXVURRAVRJYOSL-MTHXSQLBSA-N -1 0 341.451 3.815 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)c1cc2ccnc(Cl)c2s1)C(=O)[O-] ZINC001594944856 982629236 /nfs/dbraw/zinc/62/92/36/982629236.db2.gz JRXICVNSMCEABU-WPRPVWTQSA-N -1 0 340.832 3.569 20 0 EHADRM CCc1ccc([C@@H]2CCN(C(=O)c3ccc(/C=C/C(=O)[O-])o3)C2)cc1 ZINC000911756143 982633647 /nfs/dbraw/zinc/63/36/47/982633647.db2.gz FXEKPVNLQPZTNJ-XAVKZTDYSA-N -1 0 339.391 3.570 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)c1ccc(-c2ccncc2)c(F)c1)C(=O)[O-] ZINC001594946209 982640039 /nfs/dbraw/zinc/64/00/39/982640039.db2.gz LZRPDTHISMWAPT-SJCJKPOMSA-N -1 0 344.386 3.507 20 0 EHADRM CCCN(C(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1)[C@@H](C)C(=O)[O-] ZINC001595814581 982660753 /nfs/dbraw/zinc/66/07/53/982660753.db2.gz SXHMBWQBSBPJIO-FZMZJTMJSA-N -1 0 345.361 3.911 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H](c2ccccc2)C2CCCCC2)nc1 ZINC000915285926 982667021 /nfs/dbraw/zinc/66/70/21/982667021.db2.gz QNHVYZNPHDWIJJ-GOSISDBHSA-N -1 0 338.407 3.831 20 0 EHADRM CCCN(C(=O)NC[C@H]1C[C@H]1C(=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC001595823418 982699192 /nfs/dbraw/zinc/69/91/92/982699192.db2.gz XQNJZKKVNGUMNX-BPLDGKMQSA-N -1 0 344.411 3.636 20 0 EHADRM CC[C@H](C)CCCCC(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001594959069 982702849 /nfs/dbraw/zinc/70/28/49/982702849.db2.gz JVTDLZQMGOZXNJ-CQDIZWNASA-N -1 0 341.517 3.838 20 0 EHADRM CC[C@@H](C)CCCCC(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001594959071 982703141 /nfs/dbraw/zinc/70/31/41/982703141.db2.gz JVTDLZQMGOZXNJ-XYSPPFBYSA-N -1 0 341.517 3.838 20 0 EHADRM CCCN(C(=O)c1cc2c(ccc3ccccc23)o1)[C@H](C)C(=O)[O-] ZINC001595826065 982708390 /nfs/dbraw/zinc/70/83/90/982708390.db2.gz AGGGYRNQTBOORZ-GFCCVEGCSA-N -1 0 325.364 3.911 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000923090221 982716677 /nfs/dbraw/zinc/71/66/77/982716677.db2.gz FKRHOLNFGZKWDY-MWLCHTKSSA-N -1 0 337.347 3.775 20 0 EHADRM CCCN(C(=O)c1cccc(N[C@@H](C)C(C)C)c1C)[C@H](C)C(=O)[O-] ZINC001595830290 982717557 /nfs/dbraw/zinc/71/75/57/982717557.db2.gz MMXPRAHSSJPKLJ-LSDHHAIUSA-N -1 0 334.460 3.777 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)NCCc1ccccc1C(=O)[O-] ZINC000923118207 982737993 /nfs/dbraw/zinc/73/79/93/982737993.db2.gz AWQWVONRNNXOMS-ZDUSSCGKSA-N -1 0 345.826 3.576 20 0 EHADRM O=C([O-])c1ccccc1CCNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000923119811 982738586 /nfs/dbraw/zinc/73/85/86/982738586.db2.gz OEQKFYNSWAIWPI-DLBZAZTESA-N -1 0 343.810 3.501 20 0 EHADRM CCCN(C)c1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2C)cc1 ZINC001595839562 982753987 /nfs/dbraw/zinc/75/39/87/982753987.db2.gz JSQMIGFLQBVPLG-UHFFFAOYSA-N -1 0 344.386 3.931 20 0 EHADRM CCCN(CCc1cccs1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001595883991 982904526 /nfs/dbraw/zinc/90/45/26/982904526.db2.gz JULFNZNJQFNPGU-UHFFFAOYSA-N -1 0 346.452 3.862 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC001595000410 982912500 /nfs/dbraw/zinc/91/25/00/982912500.db2.gz WCHODRJYYHPBFJ-VBKZILBWSA-N -1 0 341.407 3.594 20 0 EHADRM CCCN(Cc1ccc(C)cc1)C(=O)Nc1cc(C)c(C(=O)[O-])cn1 ZINC001595887654 982914941 /nfs/dbraw/zinc/91/49/41/982914941.db2.gz ATGQLEMZDYCDTG-UHFFFAOYSA-N -1 0 341.411 3.841 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C/C(=O)N(C)C1(C(=O)[O-])CCCC1 ZINC001595006006 982922517 /nfs/dbraw/zinc/92/25/17/982922517.db2.gz UVFBQGFVRXSQSF-AYJWMTRPSA-N -1 0 345.439 3.733 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)N(C)C1(C(=O)[O-])CCCC1 ZINC001595006010 982922523 /nfs/dbraw/zinc/92/25/23/982922523.db2.gz UVFBQGFVRXSQSF-RUMSDORHSA-N -1 0 345.439 3.733 20 0 EHADRM CC[C@@H](C)Oc1cccc(NCc2[nH]cc(C(=O)[O-])c2C2CC2)n1 ZINC001595007423 982924682 /nfs/dbraw/zinc/92/46/82/982924682.db2.gz BDVOSZPGSUAHJK-LLVKDONJSA-N -1 0 329.400 3.775 20 0 EHADRM Cc1oc(CNC(=O)c2ccc(OC3CCCC3)cc2)cc1C(=O)[O-] ZINC001116297161 982924786 /nfs/dbraw/zinc/92/47/86/982924786.db2.gz FNCFRUQTWWWHMW-UHFFFAOYSA-N -1 0 343.379 3.538 20 0 EHADRM CC[C@H](C)c1ccc(OS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC001595009018 982931210 /nfs/dbraw/zinc/93/12/10/982931210.db2.gz AMSJAMHZYCQIHJ-ZDUSSCGKSA-N -1 0 348.420 3.807 20 0 EHADRM CC[C@H](C)c1ccc(OS(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1 ZINC001595009145 982932703 /nfs/dbraw/zinc/93/27/03/982932703.db2.gz FSSMNTVRIMTDJB-LBPRGKRZSA-N -1 0 348.420 3.974 20 0 EHADRM CC[C@@H](C)c1ccc(COC(=O)CCc2ocnc2C(=O)[O-])cc1 ZINC001595010357 982939129 /nfs/dbraw/zinc/93/91/29/982939129.db2.gz OYUOPCYDJOJSGG-GFCCVEGCSA-N -1 0 331.368 3.562 20 0 EHADRM Cc1cc(CN2CCO[C@@H](c3ccc(Cl)s3)C2)oc1C(=O)[O-] ZINC001118254257 982948619 /nfs/dbraw/zinc/94/86/19/982948619.db2.gz SIFQOEMNXDUTQX-LLVKDONJSA-N -1 0 341.816 3.575 20 0 EHADRM CCCCCCN(Cc1ccco1)C(=O)c1ccoc1CC(=O)[O-] ZINC001120311938 983026935 /nfs/dbraw/zinc/02/69/35/983026935.db2.gz UUYUKHOVESZQBX-UHFFFAOYSA-N -1 0 333.384 3.722 20 0 EHADRM C[C@@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1cccc2ccccc21 ZINC001121920999 983037256 /nfs/dbraw/zinc/03/72/56/983037256.db2.gz NLKLKENTWRZIQZ-SQWLQELKSA-N -1 0 340.423 3.653 20 0 EHADRM CCCOc1cc(C)ccc1CNC(=O)c1ccc(C(=O)[O-])cc1F ZINC001595950039 983118982 /nfs/dbraw/zinc/11/89/82/983118982.db2.gz IHMBJFQDGALKFV-UHFFFAOYSA-N -1 0 345.370 3.551 20 0 EHADRM CCCOc1ccc(NC(=O)N[C@H]2CC=C(C(=O)[O-])C2)cc1C(C)C ZINC001595960393 983151398 /nfs/dbraw/zinc/15/13/98/983151398.db2.gz HWXNORCPCISKBQ-AWEZNQCLSA-N -1 0 346.427 3.894 20 0 EHADRM CCCOc1ccc(CNc2nc(Cl)c(C(=O)[O-])s2)cc1 ZINC001595960722 983154540 /nfs/dbraw/zinc/15/45/40/983154540.db2.gz MZAXMLWFUXBXCG-UHFFFAOYSA-N -1 0 326.805 3.896 20 0 EHADRM CCCOc1ccc(Nc2ncc(C(=O)[O-])cc2Cl)cc1OC ZINC001595966332 983172836 /nfs/dbraw/zinc/17/28/36/983172836.db2.gz HRNVLQJTKDGUHE-UHFFFAOYSA-N -1 0 336.775 3.974 20 0 EHADRM CCCc1c(C(=O)NC[C@@H]2CCCC[C@@H]2CC)[nH]c(C)c1C(=O)[O-] ZINC001596038059 983326340 /nfs/dbraw/zinc/32/63/40/983326340.db2.gz WRDQTJWLMOMURU-KBPBESRZSA-N -1 0 334.460 3.920 20 0 EHADRM CCCc1nc(C(=O)N(c2ccccc2C(=O)[O-])C2CCC2)co1 ZINC001596074861 983391448 /nfs/dbraw/zinc/39/14/48/983391448.db2.gz RLIUXEGDBMFYKE-UHFFFAOYSA-N -1 0 328.368 3.525 20 0 EHADRM CCCc1ncc(C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)s1 ZINC001596089378 983411968 /nfs/dbraw/zinc/41/19/68/983411968.db2.gz YLQOANUSRLHVGH-UHFFFAOYSA-N -1 0 329.381 3.527 20 0 EHADRM CCCn1c(C(=O)N[C@@H](C(=O)[O-])C2CCCCC2)cc2ccccc21 ZINC001596108154 983433193 /nfs/dbraw/zinc/43/31/93/983433193.db2.gz QQPXOTWRWQLVOC-GOSISDBHSA-N -1 0 342.439 3.815 20 0 EHADRM CCCn1ccc2cc(NC(=O)c3ccoc3CC(=O)[O-])ccc21 ZINC001596115666 983445558 /nfs/dbraw/zinc/44/55/58/983445558.db2.gz FWRQWCRVEJUVIG-UHFFFAOYSA-N -1 0 326.352 3.524 20 0 EHADRM CCN(C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)[C@@H](C)C(C)C ZINC001596150062 983509079 /nfs/dbraw/zinc/50/90/79/983509079.db2.gz AWSFGKDECCRKBO-AWEZNQCLSA-N -1 0 347.459 3.883 20 0 EHADRM CCN(C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)[C@@H]1CCCOC1 ZINC001596150480 983510046 /nfs/dbraw/zinc/51/00/46/983510046.db2.gz JDGBZQJHYFDOMC-OAHLLOKOSA-N -1 0 342.395 3.571 20 0 EHADRM CCN(C(=O)Nc1ccc(C(=O)[O-])cc1C)[C@H]1CCOC(C)(C)C1 ZINC001596151504 983512654 /nfs/dbraw/zinc/51/26/54/983512654.db2.gz YPFKBFJAXPQFEU-AWEZNQCLSA-N -1 0 334.416 3.505 20 0 EHADRM CCN(Cc1[nH]cc(C(=O)[O-])c1C1CC1)Cc1c(F)cccc1F ZINC001596350524 983802940 /nfs/dbraw/zinc/80/29/40/983802940.db2.gz GOWMVAFSXKIXHZ-UHFFFAOYSA-N -1 0 334.366 3.891 20 0 EHADRM CCN(Cc1ccccc1Cl)C(=O)Nc1cc(C)c(C(=O)[O-])cn1 ZINC001596371965 983875960 /nfs/dbraw/zinc/87/59/60/983875960.db2.gz YGFLJXUDRDFWHJ-UHFFFAOYSA-N -1 0 347.802 3.796 20 0 EHADRM CCN(c1ccc(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)cc1)C(C)C ZINC001596383109 983907114 /nfs/dbraw/zinc/90/71/14/983907114.db2.gz QSNTYZXUKXSXAR-UHFFFAOYSA-N -1 0 344.455 3.895 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cc(F)c(OC)cc2C)s1 ZINC000274763987 1015020676 /nfs/dbraw/zinc/02/06/76/1015020676.db2.gz HGTJSKOTZVJJFO-UHFFFAOYSA-N -1 0 329.418 3.567 20 0 EHADRM C/C(=C/C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])c1cccc(F)c1 ZINC001588932516 984608778 /nfs/dbraw/zinc/60/87/78/984608778.db2.gz GDZAWFCVYKWNFD-ZROIWOOFSA-N -1 0 335.419 3.824 20 0 EHADRM C/C(=C\C(=O)N[C@@H](C(=O)[O-])c1ccc(C)c(C)c1)c1ccccc1C ZINC001588938402 984621511 /nfs/dbraw/zinc/62/15/11/984621511.db2.gz AIMFQJBJCVCYKY-ZRNYNZGJSA-N -1 0 337.419 3.957 20 0 EHADRM C/C(=C/C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1)c1ccco1 ZINC001588939652 984630797 /nfs/dbraw/zinc/63/07/97/984630797.db2.gz ZKLHWOUGXHPRBX-MSKHEQNASA-N -1 0 333.771 3.669 20 0 EHADRM C/C(=C/C(=O)NCCc1ccccc1C(=O)[O-])c1cccc(Cl)c1 ZINC001588943276 984640360 /nfs/dbraw/zinc/64/03/60/984640360.db2.gz ZGYSTMYIGSKPDS-QBFSEMIESA-N -1 0 343.810 3.800 20 0 EHADRM C/C(=C/C(=O)Nc1ccc(OCCC(=O)[O-])cc1)c1cccs1 ZINC001588944266 984646499 /nfs/dbraw/zinc/64/64/99/984646499.db2.gz UOBIGCBSOXNGPZ-QXMHVHEDSA-N -1 0 331.393 3.644 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)Nc1ccc(Cl)cc1-c1ccccc1 ZINC001599887642 984655665 /nfs/dbraw/zinc/65/56/65/984655665.db2.gz PDGNZBQRPCCNTI-LLVKDONJSA-N -1 0 332.787 3.992 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1ccc(F)c2occc21 ZINC001599888722 984668874 /nfs/dbraw/zinc/66/88/74/984668874.db2.gz OEARBMOCMVGKIW-GFCCVEGCSA-N -1 0 341.338 3.687 20 0 EHADRM C/C(=C/C(=O)[O-])CSc1nc2ccccc2c(=O)n1CCC(C)C ZINC001588951518 984681082 /nfs/dbraw/zinc/68/10/82/984681082.db2.gz ATACPEHNZHKEOF-RAXLEYEMSA-N -1 0 346.452 3.566 20 0 EHADRM C[C@H](NC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)C1CCCCCC1 ZINC001599894030 984730525 /nfs/dbraw/zinc/73/05/25/984730525.db2.gz LMDAQCNRGGJOLN-KBXCAEBGSA-N -1 0 344.455 3.739 20 0 EHADRM CCOC(=O)c1c(CS[C@@H](C)CC(=O)[O-])occ1C(F)(F)F ZINC001596693726 984816432 /nfs/dbraw/zinc/81/64/32/984816432.db2.gz FALPIQCJBZLTNX-ZETCQYMHSA-N -1 0 340.319 3.572 20 0 EHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC001588997696 984931905 /nfs/dbraw/zinc/93/19/05/984931905.db2.gz APCOYGLRMFSVJI-SEYXRHQNSA-N -1 0 335.831 3.989 20 0 EHADRM C/C(=C/c1cccc(Cl)c1)C(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001589001908 984946339 /nfs/dbraw/zinc/94/63/39/984946339.db2.gz NHSJSXQXKJGYHO-LCYFTJDESA-N -1 0 343.810 3.687 20 0 EHADRM C/C(=C\c1ccccn1)C(=O)N1CCCCc2cc(C(=O)[O-])ccc21 ZINC001589005512 984965653 /nfs/dbraw/zinc/96/56/53/984965653.db2.gz IIPMCGBMQZMQDY-WYMLVPIESA-N -1 0 336.391 3.553 20 0 EHADRM C/C(=C/c1ccco1)C(=O)N(Cc1ccccc1)C(C)(C)C(=O)[O-] ZINC001589010053 984974515 /nfs/dbraw/zinc/97/45/15/984974515.db2.gz AUORFRKHCPPLDL-OWBHPGMISA-N -1 0 327.380 3.575 20 0 EHADRM C[C@H]1CN(C(=O)N[C@H]2CCC(C)(C)c3ccccc32)C[C@]1(C)C(=O)[O-] ZINC001599918041 985087598 /nfs/dbraw/zinc/08/75/98/985087598.db2.gz CDCJNKWLDZPLPL-RISOHXOYSA-N -1 0 344.455 3.551 20 0 EHADRM CCO[C@H](C(=O)Nc1sc(CC)cc1C(=O)[O-])C1CCCC1 ZINC001596765693 985165130 /nfs/dbraw/zinc/16/51/30/985165130.db2.gz DGQMJWJNBCKZAB-ZDUSSCGKSA-N -1 0 325.430 3.543 20 0 EHADRM CCO[C@H](CNc1nc(Cl)c(C(=O)[O-])s1)c1ccccc1 ZINC001596790619 985267293 /nfs/dbraw/zinc/26/72/93/985267293.db2.gz DMWQIDSBXYWWKY-SNVBAGLBSA-N -1 0 326.805 3.684 20 0 EHADRM CCO[C@H]1C[C@@H](NC(=O)Nc2cccc(C(=O)[O-])c2)C12CCCCC2 ZINC001596821037 985415503 /nfs/dbraw/zinc/41/55/03/985415503.db2.gz CZJVVYNVBIYOPS-CVEARBPZSA-N -1 0 346.427 3.634 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)N2CC(C)(C)c3ccccc32)c(C)c1C(=O)[O-] ZINC001599942546 985473507 /nfs/dbraw/zinc/47/35/07/985473507.db2.gz OLQRGMATXCMEPD-ZDUSSCGKSA-N -1 0 340.423 3.699 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)[C@@H]2CCCC[C@H]21 ZINC001594479586 985517823 /nfs/dbraw/zinc/51/78/23/985517823.db2.gz LUKXQXRPCVBERS-XOKHGSTOSA-N -1 0 346.427 3.583 20 0 EHADRM Cc1[nH]c(C(=O)[C@@H](C)N2Cc3ccccc3[C@H](C)C2)c(C)c1C(=O)[O-] ZINC001599946559 985538179 /nfs/dbraw/zinc/53/81/79/985538179.db2.gz VLPPVRFAETZIAL-BXUZGUMPSA-N -1 0 340.423 3.520 20 0 EHADRM CCOC1CC2(C[C@@H]2C(=O)Nc2c(C(=O)[O-])ccc3ccccc32)C1 ZINC001596851464 985580279 /nfs/dbraw/zinc/58/02/79/985580279.db2.gz YACHTLRDGDIFAN-WGAFOPHPSA-N -1 0 339.391 3.682 20 0 EHADRM Cc1[nH]c(C(=O)CSc2ccc(F)c(F)c2)c(C)c1C(=O)[O-] ZINC001599949473 985582861 /nfs/dbraw/zinc/58/28/61/985582861.db2.gz GFLLLMCRCBDOEU-UHFFFAOYSA-N -1 0 325.336 3.583 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])ccc2Cl)c2cccc(F)c2O1 ZINC001594488665 985584990 /nfs/dbraw/zinc/58/49/90/985584990.db2.gz HPXYQXHQIKEJBY-SECBINFHSA-N -1 0 349.745 3.605 20 0 EHADRM Cc1[nH]c(C(=O)NCc2ccc(C(C)(C)C)cc2)c(C)c1C(=O)[O-] ZINC001599952493 985632793 /nfs/dbraw/zinc/63/27/93/985632793.db2.gz PYSVVLUBZYFKCC-UHFFFAOYSA-N -1 0 328.412 3.557 20 0 EHADRM C[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C[C@@H](C2CC2)O1 ZINC001594499860 985669023 /nfs/dbraw/zinc/66/90/23/985669023.db2.gz GAHOSEYDMPBSIP-TURNYIBQSA-N -1 0 344.238 3.618 20 0 EHADRM Cc1[nH]c(C(=O)Nc2cccc(COC(C)(C)C)c2)c(C)c1C(=O)[O-] ZINC001599955037 985674193 /nfs/dbraw/zinc/67/41/93/985674193.db2.gz ZSZZYMYNCQYGLC-UHFFFAOYSA-N -1 0 344.411 3.897 20 0 EHADRM CC(=O)Oc1ccc(NC(=O)CC(C)(C)CC(=O)[O-])c2ccccc12 ZINC001589229547 985767894 /nfs/dbraw/zinc/76/78/94/985767894.db2.gz DPPNYBUDULNSKO-UHFFFAOYSA-N -1 0 343.379 3.595 20 0 EHADRM Cc1[nH]c(CN2CCC(=Cc3cccc(F)c3)CC2)cc1C(=O)[O-] ZINC001599961776 985794523 /nfs/dbraw/zinc/79/45/23/985794523.db2.gz ILHHMJUWYFOCQP-UHFFFAOYSA-N -1 0 328.387 3.840 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2ccc(C(=O)[O-])cc2)c1C ZINC001589249499 985872106 /nfs/dbraw/zinc/87/21/06/985872106.db2.gz XSNHTVFDPBPJFH-LBPRGKRZSA-N -1 0 345.420 3.896 20 0 EHADRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC001599966391 985914073 /nfs/dbraw/zinc/91/40/73/985914073.db2.gz PXLOAGWLDQKDNB-MRXNPFEDSA-N -1 0 348.830 3.893 20 0 EHADRM CC(=O)c1ccc(C(=O)N(c2ccccc2C(=O)[O-])C2CCC2)s1 ZINC001589273760 985977292 /nfs/dbraw/zinc/97/72/92/985977292.db2.gz NFBFPDUAJATJLX-UHFFFAOYSA-N -1 0 343.404 3.848 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)cc1C ZINC001589277236 985993710 /nfs/dbraw/zinc/99/37/10/985993710.db2.gz ILGNPBSIWSZISE-GFCCVEGCSA-N -1 0 325.364 3.638 20 0 EHADRM CC(=O)c1ccc(C(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)cc1C ZINC001589278763 986000092 /nfs/dbraw/zinc/00/00/92/986000092.db2.gz HVLUESQQYUDHSP-UHFFFAOYSA-N -1 0 340.375 3.779 20 0 EHADRM CCOCCOCc1cccc(NCc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001596938060 986058761 /nfs/dbraw/zinc/05/87/61/986058761.db2.gz PSDLRBYEWUTVFO-UHFFFAOYSA-N -1 0 343.423 3.858 20 0 EHADRM CCOCOc1cnccc1-c1ccc(OC(C)C)c(C(=O)[O-])c1 ZINC001596946014 986088977 /nfs/dbraw/zinc/08/89/77/986088977.db2.gz VKQBMMVGJVFKKT-UHFFFAOYSA-N -1 0 331.368 3.607 20 0 EHADRM CCO[C@@H]1C[C@@H](Nc2cc3ccccc3c(C(=O)[O-])c2)[C@]12CCCO2 ZINC001596974963 986211279 /nfs/dbraw/zinc/21/12/79/986211279.db2.gz XJDZFDIBKVVSAD-QWFCFKBJSA-N -1 0 341.407 3.677 20 0 EHADRM C[C@@H]1CN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)[C@H](C)[C@@H](C)O1 ZINC001594547384 986225003 /nfs/dbraw/zinc/22/50/03/986225003.db2.gz JYSDKUCYHUEPMV-JHJVBQTASA-N -1 0 346.452 3.506 20 0 EHADRM CCOc1cc(Br)c(F)cc1N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001596993437 986283092 /nfs/dbraw/zinc/28/30/92/986283092.db2.gz BATRCGWLXGTFGO-DTWKUNHWSA-N -1 0 346.196 3.652 20 0 EHADRM C[C@H](C(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1)[C@H](C)C(C)(C)C ZINC001589346282 986286194 /nfs/dbraw/zinc/28/61/94/986286194.db2.gz ONKJDISBKQFDBD-AVYPCKFXSA-N -1 0 331.456 3.560 20 0 EHADRM COc1cc(C)c(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)cc1F ZINC000274797704 1015207373 /nfs/dbraw/zinc/20/73/73/1015207373.db2.gz NWQRUTLOORQPQL-LJQANCHMSA-N -1 0 345.370 3.514 20 0 EHADRM C[C@H](C(=O)N[C@H](C(=O)[O-])c1ccsc1)c1ccc2ccccc2c1 ZINC001589378434 986443964 /nfs/dbraw/zinc/44/39/64/986443964.db2.gz JVVFLNPCSVURIS-SJCJKPOMSA-N -1 0 339.416 3.947 20 0 EHADRM CCOc1cc(/C=C\C(=O)Nc2scc(C(=O)[O-])c2C)ccc1O ZINC001597032535 986456989 /nfs/dbraw/zinc/45/69/89/986456989.db2.gz HITMVDLBQUEWJM-ALCCZGGFSA-N -1 0 347.392 3.511 20 0 EHADRM CCOc1cc(F)cc(CN2CCc3c(F)ccc(C(=O)[O-])c3C2)c1 ZINC001597036654 986478781 /nfs/dbraw/zinc/47/87/81/986478781.db2.gz LFCHPQIWYZJEGS-UHFFFAOYSA-N -1 0 347.361 3.620 20 0 EHADRM C[C@H](C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001589385987 986483401 /nfs/dbraw/zinc/48/34/01/986483401.db2.gz RIVMKWCAMOIIBQ-GWCFXTLKSA-N -1 0 345.361 3.815 20 0 EHADRM C[C@@H](C(=O)NC1(CCC(=O)[O-])CCCCC1)c1c(F)cccc1F ZINC001589392546 986513023 /nfs/dbraw/zinc/51/30/23/986513023.db2.gz XDTFEIKWGUQNJS-GFCCVEGCSA-N -1 0 339.382 3.752 20 0 EHADRM CCOc1ccc(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)cc1 ZINC001597062227 986553831 /nfs/dbraw/zinc/55/38/31/986553831.db2.gz SXZGWLXCPFKRII-UHFFFAOYSA-N -1 0 337.734 3.828 20 0 EHADRM C[C@@H](C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-])c1ccc(Cl)s1 ZINC001589404767 986585137 /nfs/dbraw/zinc/58/51/37/986585137.db2.gz SHXKUDZBWGHWSU-ZYHUDNBSSA-N -1 0 343.876 3.902 20 0 EHADRM C[C@H]1COc2ccccc2[C@H]1OC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001594607808 986588022 /nfs/dbraw/zinc/58/80/22/986588022.db2.gz NUZDURMXPBNTHI-UGSOOPFHSA-N -1 0 332.396 3.725 20 0 EHADRM CCOc1ccc([C@H](Nc2cnc(C(=O)[O-])cn2)c2ccccc2)cc1 ZINC001597074989 986604270 /nfs/dbraw/zinc/60/42/70/986604270.db2.gz XPAVXUBRCSBGOC-LJQANCHMSA-N -1 0 349.390 3.775 20 0 EHADRM C[C@@H]1CSc2ccccc2N1C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001594612345 986607918 /nfs/dbraw/zinc/60/79/18/986607918.db2.gz KMMUAHNCBZRZBN-JMEBYUIHSA-N -1 0 329.377 3.518 20 0 EHADRM CCOc1ccc(C[C@@H](C)C(=O)N(CC(C)C)C(C)(C)C(=O)[O-])cc1 ZINC001597082516 986638163 /nfs/dbraw/zinc/63/81/63/986638163.db2.gz TZGDTHHYSKXCHG-OAHLLOKOSA-N -1 0 349.471 3.612 20 0 EHADRM CCOc1ccc(C[C@H](C)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001597085092 986647757 /nfs/dbraw/zinc/64/77/57/986647757.db2.gz NJORITBPDQGGRO-LBPRGKRZSA-N -1 0 345.370 3.740 20 0 EHADRM C[C@H](C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)c1ccc(F)c(F)c1 ZINC001589428815 986704977 /nfs/dbraw/zinc/70/49/77/986704977.db2.gz JXPDXSJXDFLKHM-VIFPVBQESA-N -1 0 344.317 3.887 20 0 EHADRM CCOc1ccc(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2C)cc1 ZINC001597100711 986708626 /nfs/dbraw/zinc/70/86/26/986708626.db2.gz DIWCJSRHSQADQB-UHFFFAOYSA-N -1 0 346.358 3.553 20 0 EHADRM CCOc1ccc(NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)c(C(=O)[O-])c1F ZINC001597113441 986787489 /nfs/dbraw/zinc/78/74/89/986787489.db2.gz UDSLUTMEHQZJLQ-ZSBIGDGJSA-N -1 0 335.375 3.687 20 0 EHADRM C[C@H](C(=O)Nc1cccnc1C(=O)[O-])c1c(Cl)cccc1Cl ZINC001589444710 986803182 /nfs/dbraw/zinc/80/31/82/986803182.db2.gz PMXRZTJPANWKSS-QMMMGPOBSA-N -1 0 339.178 3.829 20 0 EHADRM C[C@H](C(=O)Nc1cccc(SCCC(=O)[O-])c1)c1cccc(O)c1 ZINC001589445685 986816017 /nfs/dbraw/zinc/81/60/17/986816017.db2.gz WHQPYWPSZLXFFD-LBPRGKRZSA-N -1 0 345.420 3.701 20 0 EHADRM CCOc1ccc(S[C@@H](C(=O)OC)c2cccc(C(=O)[O-])c2)cc1 ZINC001597137167 986874483 /nfs/dbraw/zinc/87/44/83/986874483.db2.gz AVLBQZWBYRMRHK-MRXNPFEDSA-N -1 0 346.404 3.790 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)/C=C\CCc1ccccc1)c1ccccc1 ZINC001589454308 986876521 /nfs/dbraw/zinc/87/65/21/986876521.db2.gz NGESZARXKYGVAY-GEUTUFQVSA-N -1 0 337.419 3.754 20 0 EHADRM C[C@H]1Oc2ccccc2[C@H]1NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001594651520 986877191 /nfs/dbraw/zinc/87/71/91/986877191.db2.gz SLQFXBRMTFRWQJ-PSLIRLAXSA-N -1 0 346.770 3.682 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)Nc1ccc(C(F)F)nc1)c1ccccc1 ZINC001589458496 986903204 /nfs/dbraw/zinc/90/32/04/986903204.db2.gz ORZHMQYODCSDJN-IINYFYTJSA-N -1 0 349.337 3.603 20 0 EHADRM CCOc1cccc(CCC(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])c1 ZINC001597149153 986915041 /nfs/dbraw/zinc/91/50/41/986915041.db2.gz AKKHWGXFOABCOM-UHFFFAOYSA-N -1 0 349.471 3.613 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cccc2cc(O)ccc21)c1ccccc1 ZINC001589463007 986922177 /nfs/dbraw/zinc/92/21/77/986922177.db2.gz XNMLNMMPEGTRCV-BFUOFWGJSA-N -1 0 349.386 3.737 20 0 EHADRM CCOc1cccc(/C=C/C(=O)N(CC2CC2)[C@](C)(CC)C(=O)[O-])c1 ZINC001597150269 986926330 /nfs/dbraw/zinc/92/63/30/986926330.db2.gz PSXSXGMEIWMZMY-YVNCXZRQSA-N -1 0 345.439 3.590 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)[C@H](c1ccncc1)C1CCCCC1)C1CCC1 ZINC001589469806 986947854 /nfs/dbraw/zinc/94/78/54/986947854.db2.gz YXGNKFOZLWOVRN-KDOFPFPSSA-N -1 0 344.455 3.600 20 0 EHADRM C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001594665941 986962562 /nfs/dbraw/zinc/96/25/62/986962562.db2.gz OGVGNGSMPSCURN-LPEHRKFASA-N -1 0 342.222 3.550 20 0 EHADRM C[C@@H]1c2cc(F)cc(F)c2CCN1CCOc1cccc(C(=O)[O-])c1 ZINC001594666366 986964204 /nfs/dbraw/zinc/96/42/04/986964204.db2.gz UGSVLQQOJQUXPR-GFCCVEGCSA-N -1 0 347.361 3.661 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)c1ccc2c(c1)Cc1ccccc1-2)C1CCC1 ZINC001589477805 986988284 /nfs/dbraw/zinc/98/82/84/986988284.db2.gz CWLQTDMKAWICHA-ZDUSSCGKSA-N -1 0 335.403 3.726 20 0 EHADRM CCOc1ccccc1C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001597168561 986998293 /nfs/dbraw/zinc/99/82/93/986998293.db2.gz SGBIYYOTDZWRJV-LJQANCHMSA-N -1 0 349.386 3.794 20 0 EHADRM CCOc1ccccc1CNC(=O)Nc1ccc(C(=O)[O-])cc1CC ZINC001597172969 987010427 /nfs/dbraw/zinc/01/04/27/987010427.db2.gz VCDYZPZODLLJLF-UHFFFAOYSA-N -1 0 342.395 3.668 20 0 EHADRM C/C=C/C=C\C(=O)OCc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001594685334 987053769 /nfs/dbraw/zinc/05/37/69/987053769.db2.gz XFAZCQWZRLVQEQ-IAROGAJJSA-N -1 0 329.377 3.684 20 0 EHADRM C/C=C\C[C@H]1CCCN(C(=O)Nc2cccc(CCC(=O)[O-])c2)C1 ZINC001594686115 987061753 /nfs/dbraw/zinc/06/17/53/987061753.db2.gz NUZAWAPDMQGGJL-YPQKKHBXSA-N -1 0 330.428 3.914 20 0 EHADRM C/C=C\C[C@@H]1CCCN(c2ncc(C(=O)[O-])cc2C(F)(F)F)C1 ZINC001594686407 987065412 /nfs/dbraw/zinc/06/54/12/987065412.db2.gz VJDRSLHBLCNKGC-OTDNITJGSA-N -1 0 328.334 3.981 20 0 EHADRM CCC(=CC(=O)Nc1[nH]c(C(=O)[O-])cc1C(C)=O)c1ccc(C)cc1 ZINC001594691403 987091008 /nfs/dbraw/zinc/09/10/08/987091008.db2.gz UHTADKGZMOPFFL-LCYFTJDESA-N -1 0 340.379 3.656 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@H]2CC[C@@H](C(F)(F)F)C2)cc1 ZINC001589501907 987101955 /nfs/dbraw/zinc/10/19/55/987101955.db2.gz ANHNWCMWYXBTAU-ZMLRMANQSA-N -1 0 329.318 3.792 20 0 EHADRM CCC(=O)N(C)c1ccc(NCc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001594694930 987109834 /nfs/dbraw/zinc/10/98/34/987109834.db2.gz BUYIGEWXPQUJLD-UHFFFAOYSA-N -1 0 330.359 3.509 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)CCOc2ccc(Cl)cc2)cc1 ZINC001589505613 987121196 /nfs/dbraw/zinc/12/11/96/987121196.db2.gz VPNDQPJECFXYHK-LBPRGKRZSA-N -1 0 347.798 3.936 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N[C@H]2CCSC(C)(C)C2)cc1 ZINC001589512893 987153780 /nfs/dbraw/zinc/15/37/80/987153780.db2.gz NJPXFXSSFQOINO-RISCZKNCSA-N -1 0 336.457 3.670 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)Nc2cc(C3CCCC3)[nH]n2)cc1 ZINC001589513048 987154561 /nfs/dbraw/zinc/15/45/61/987154561.db2.gz YDKSMQUCCMTPJJ-LLVKDONJSA-N -1 0 342.399 3.899 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NCc2cccc3cc[nH]c32)cc1 ZINC001589513103 987155387 /nfs/dbraw/zinc/15/53/87/987155387.db2.gz ZJOJAQGSMZUWJD-LBPRGKRZSA-N -1 0 337.379 3.678 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)COC/C=C/c2ccccc2)c1 ZINC001589533422 987226534 /nfs/dbraw/zinc/22/65/34/987226534.db2.gz OOZNODQLLYXJNN-RZIFZGNASA-N -1 0 339.391 3.543 20 0 EHADRM CC[C@@H](C(=O)N(CC(=O)[O-])CC(C)C)c1cccc(C(F)(F)F)c1 ZINC001594725640 987232592 /nfs/dbraw/zinc/23/25/92/987232592.db2.gz ZLSPFUDDWYHUIO-CQSZACIVSA-N -1 0 345.361 3.768 20 0 EHADRM CCS[C@@H](C(=O)NC[C@H](C(=O)[O-])C1CCCCCC1)C(C)C ZINC001597251162 987240434 /nfs/dbraw/zinc/24/04/34/987240434.db2.gz HBMVPUDVOYLDDG-LSDHHAIUSA-N -1 0 329.506 3.552 20 0 EHADRM CC[C@@H](C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])c1ccc(OC)cc1 ZINC001594730857 987253825 /nfs/dbraw/zinc/25/38/25/987253825.db2.gz ZYCOUCGGAPZHSG-QGZVFWFLSA-N -1 0 349.471 3.784 20 0 EHADRM CC[C@H](C(=O)NCC(C)(C)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001594733454 987254104 /nfs/dbraw/zinc/25/41/04/987254104.db2.gz ANVFPQYPNAXERI-ZDUSSCGKSA-N -1 0 345.361 3.816 20 0 EHADRM CC[C@H](C(=O)NCCOc1ccc(C(=O)[O-])cc1)C1CCC(C)CC1 ZINC001594733761 987255643 /nfs/dbraw/zinc/25/56/43/987255643.db2.gz FOUYTHGKZPIZPI-JMLCCBQJSA-N -1 0 347.455 3.732 20 0 EHADRM C[C@H](C(=O)OCc1ccc(C(=O)[O-])c(F)c1)c1ccc(F)c(F)c1 ZINC001589548480 987276580 /nfs/dbraw/zinc/27/65/80/987276580.db2.gz DLFOVVOOWNZZFO-VIFPVBQESA-N -1 0 338.281 3.649 20 0 EHADRM CCSCC[C@H](C)N(C)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC001597259240 987279168 /nfs/dbraw/zinc/27/91/68/987279168.db2.gz LRIHNHBFOXZVKL-JTQLQIEISA-N -1 0 328.409 3.519 20 0 EHADRM C[C@@H](C(=O)OCCCCCC(=O)[O-])c1cccc(Br)c1 ZINC001589548823 987280851 /nfs/dbraw/zinc/28/08/51/987280851.db2.gz PPTLNUMEHTWIFX-LLVKDONJSA-N -1 0 343.217 3.741 20 0 EHADRM CCSCC[C@@H](C)N(C)C(=O)Nc1cc(C)sc1C(=O)[O-] ZINC001597259498 987281877 /nfs/dbraw/zinc/28/18/77/987281877.db2.gz ZHDWYGWDHBKRJC-SECBINFHSA-N -1 0 330.475 3.750 20 0 EHADRM CCSCOc1c(Cl)cc(C(=O)[O-])cc1Br ZINC001597264108 987289525 /nfs/dbraw/zinc/28/95/25/987289525.db2.gz NCFDOAWDEFHCNP-UHFFFAOYSA-N -1 0 325.611 3.890 20 0 EHADRM CCSc1cccc(C(=O)N[C@](C)(C(=O)[O-])c2ccc(F)cc2)c1 ZINC001597273011 987325040 /nfs/dbraw/zinc/32/50/40/987325040.db2.gz NWCAAHMSUIPHSC-SFHVURJKSA-N -1 0 347.411 3.668 20 0 EHADRM CC(C)(C(=O)N1CCc2ccc(C(=O)[O-])cc21)c1ccc(F)cc1F ZINC001589563691 987326570 /nfs/dbraw/zinc/32/65/70/987326570.db2.gz KHSQFXLYRFVGLM-UHFFFAOYSA-N -1 0 345.345 3.530 20 0 EHADRM CCSc1cccc(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC001597273400 987328188 /nfs/dbraw/zinc/32/81/88/987328188.db2.gz UDVCOCBCULBFSA-LJQANCHMSA-N -1 0 343.448 3.571 20 0 EHADRM CCSc1ccc(CC(=O)Nc2ccc(C(=O)[O-])cc2C)cc1 ZINC001597273516 987329765 /nfs/dbraw/zinc/32/97/65/987329765.db2.gz ZDRJWFABKHKYKH-UHFFFAOYSA-N -1 0 329.421 3.986 20 0 EHADRM CCSc1ccccc1CC(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001597279462 987342165 /nfs/dbraw/zinc/34/21/65/987342165.db2.gz IEZXHXMFOUMDLK-UHFFFAOYSA-N -1 0 329.421 3.986 20 0 EHADRM CCSc1ccccc1C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001597279854 987346494 /nfs/dbraw/zinc/34/64/94/987346494.db2.gz PVYFSCVZTGVSMW-FZKQIMNGSA-N -1 0 333.453 3.516 20 0 EHADRM CCSc1ccccc1C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001597280121 987349666 /nfs/dbraw/zinc/34/96/66/987349666.db2.gz ZKBILLGHXUGXRO-UHFFFAOYSA-N -1 0 331.393 3.758 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccccc1F ZINC001597288307 987370162 /nfs/dbraw/zinc/37/01/62/987370162.db2.gz CBBZWKDNIAUXOK-OAHLLOKOSA-N -1 0 334.322 3.936 20 0 EHADRM CC[C@@H](NC(=O)Nc1cccc(C(=O)[O-])c1OC)c1ccccc1F ZINC001597288920 987375174 /nfs/dbraw/zinc/37/51/74/987375174.db2.gz ZFATYNAWOWKQGZ-CQSZACIVSA-N -1 0 346.358 3.805 20 0 EHADRM CC(C)(C(=O)[O-])C(=O)CSc1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC001589589053 987390946 /nfs/dbraw/zinc/39/09/46/987390946.db2.gz TVNTVBVMORNQDB-UHFFFAOYSA-N -1 0 338.816 3.502 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)Nc1cc(Cl)ccn1)c1ccccc1 ZINC001589598278 987418865 /nfs/dbraw/zinc/41/88/65/987418865.db2.gz IJDUWZSMJJUYEL-AWEZNQCLSA-N -1 0 347.802 3.709 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1ccsc1Cl)c1ccccc1 ZINC001589602340 987431911 /nfs/dbraw/zinc/43/19/11/987431911.db2.gz YJCZIJCTYBSQCI-GFCCVEGCSA-N -1 0 337.828 3.983 20 0 EHADRM CC(C)(C(=O)[O-])N(Cc1ccccc1)C(=O)c1ccc(Cl)cc1F ZINC001589616609 987482846 /nfs/dbraw/zinc/48/28/46/987482846.db2.gz KCPNAKVLPISGGX-UHFFFAOYSA-N -1 0 349.789 3.985 20 0 EHADRM CCc1[nH]c(C(=O)N(C)[C@H]2CCC[C@H]2C(C)(C)C)c(C)c1C(=O)[O-] ZINC001597354803 987498986 /nfs/dbraw/zinc/49/89/86/987498986.db2.gz QBHJGVJQVUVLRP-OCCSQVGLSA-N -1 0 334.460 3.871 20 0 EHADRM CCc1[nH]c(C(=O)N[C@H](C)Cc2ccccc2Cl)c(C)c1C(=O)[O-] ZINC001597363573 987531438 /nfs/dbraw/zinc/53/14/38/987531438.db2.gz LKEGHKTWMGZVKQ-SNVBAGLBSA-N -1 0 348.830 3.598 20 0 EHADRM CCc1[nH]c(C(=O)N[C@@H](C)[C@@H]2CC3CCC2CC3)c(C)c1C(=O)[O-] ZINC001597364582 987534672 /nfs/dbraw/zinc/53/46/72/987534672.db2.gz WLBDVFWUWAHVOX-ABXWRUBCSA-N -1 0 332.444 3.528 20 0 EHADRM CCc1[nH]c(C(=O)N[C@@H]2CCSc3ccccc32)c(C)c1C(=O)[O-] ZINC001597367554 987542779 /nfs/dbraw/zinc/54/27/79/987542779.db2.gz VSDZVWRYMBUVAC-CYBMUJFWSA-N -1 0 344.436 3.551 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NC[C@H]2CCC[C@@H]2C2CC2)cc1 ZINC001589637792 987557068 /nfs/dbraw/zinc/55/70/68/987557068.db2.gz LXYMTNVWGLVDEB-RHSMWYFYSA-N -1 0 344.455 3.997 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NCC2(CC3CC3)CC2)cc1 ZINC001589638100 987558822 /nfs/dbraw/zinc/55/88/22/987558822.db2.gz WJCZJGUOFUDTFH-UHFFFAOYSA-N -1 0 330.428 3.751 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC[C@@H]2C[C@@]2(C)Br)cc1 ZINC001589640663 987562277 /nfs/dbraw/zinc/56/22/77/987562277.db2.gz ASFNPRFORZAWNF-XHDPSFHLSA-N -1 0 326.234 3.634 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)C(C)(C)c2ccccc2)c1 ZINC001589644087 987577094 /nfs/dbraw/zinc/57/70/94/987577094.db2.gz NELYZFXYWQDWHF-UHFFFAOYSA-N -1 0 326.392 3.932 20 0 EHADRM CCc1[nH]c(CN2CC[C@@](F)(c3ccccc3C)C2)cc1C(=O)[O-] ZINC001597383408 987582468 /nfs/dbraw/zinc/58/24/68/987582468.db2.gz FAHUXQDNYSKOIC-IBGZPJMESA-N -1 0 330.403 3.654 20 0 EHADRM CC(C)(C(=O)OCc1cc(C(=O)[O-])ccc1Cl)C1CCOCC1 ZINC001589680790 987706469 /nfs/dbraw/zinc/70/64/69/987706469.db2.gz GNMFMYWKZOFAOY-UHFFFAOYSA-N -1 0 340.803 3.534 20 0 EHADRM CCc1c(C(=O)Oc2cccc(CC(=O)[O-])c2)cnn1C(CC)CC ZINC001597414711 987711889 /nfs/dbraw/zinc/71/18/89/987711889.db2.gz IIUPNFXLCLAQFP-UHFFFAOYSA-N -1 0 344.411 3.653 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)N2CCC(F)(F)C[C@@H]2C)s1 ZINC001597442866 987807583 /nfs/dbraw/zinc/80/75/83/987807583.db2.gz GTDJZXCDVPTRKE-QMMMGPOBSA-N -1 0 332.372 3.660 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)/C=C(/C)c1ccccc1OC ZINC001597449646 987834777 /nfs/dbraw/zinc/83/47/77/987834777.db2.gz HPIJITGPLTZWLJ-QBFSEMIESA-N -1 0 339.391 3.998 20 0 EHADRM CC(C)(C)[C@H](NC(=O)/C=C/c1cc(C(=O)[O-])co1)c1ccccc1 ZINC001589712999 987851946 /nfs/dbraw/zinc/85/19/46/987851946.db2.gz XKRGVYUELHYYOG-OAGJVSPASA-N -1 0 327.380 3.895 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@H]1c1ccccn1 ZINC001597454050 987858412 /nfs/dbraw/zinc/85/84/12/987858412.db2.gz XSEGKZNSVUQXSC-KRWDZBQOSA-N -1 0 339.395 3.711 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@@H]1c1cccn1C ZINC001597453915 987858547 /nfs/dbraw/zinc/85/85/47/987858547.db2.gz VUEMNIGPYYXBRS-QGZVFWFLSA-N -1 0 341.411 3.655 20 0 EHADRM CC(C)(C)[C@H](NC(=O)Nc1cc(C(=O)[O-])ccn1)c1ccccc1 ZINC001589717313 987866559 /nfs/dbraw/zinc/86/65/59/987866559.db2.gz YHXZJKOAVSCYPL-OAHLLOKOSA-N -1 0 327.384 3.689 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1c2ccccc2O[C@H]1C ZINC001597456975 987868578 /nfs/dbraw/zinc/86/85/78/987868578.db2.gz GOBKKOJXCOFYJN-GTNSWQLSSA-N -1 0 340.379 3.591 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001597457522 987874518 /nfs/dbraw/zinc/87/45/18/987874518.db2.gz VEKKPSJITLNMSI-WMZOPIPTSA-N -1 0 342.439 3.990 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCC[C@H]1CCC2(CCC2)O1 ZINC001597459254 987884532 /nfs/dbraw/zinc/88/45/32/987884532.db2.gz YLZZWUAVXIEIRG-OAHLLOKOSA-N -1 0 346.427 3.561 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(-c2cc[nH]n2)s1 ZINC001597463989 987894892 /nfs/dbraw/zinc/89/48/92/987894892.db2.gz KISYXWAYJFFALA-UHFFFAOYSA-N -1 0 341.392 3.651 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@H](C)c1ccccc1OC ZINC001597464444 987897382 /nfs/dbraw/zinc/89/73/82/987897382.db2.gz LKYHEAQGMKADMA-GFCCVEGCSA-N -1 0 342.395 3.839 20 0 EHADRM CC(C)(C)C1=CCN(C(=O)Nc2cc(C(=O)[O-])cnc2Cl)CC1 ZINC001589726222 987906747 /nfs/dbraw/zinc/90/67/47/987906747.db2.gz DXYSAXRHXJMTLN-UHFFFAOYSA-N -1 0 337.807 3.643 20 0 EHADRM CC(C)(C)[C@H]1CCC[C@@](NC(=O)[C@H]2C[C@H]2C(=O)[O-])(C(F)(F)F)CC1 ZINC001589727973 987926223 /nfs/dbraw/zinc/92/62/23/987926223.db2.gz DEBWQCHWGQHUDB-OVZMXSCWSA-N -1 0 349.393 3.751 20 0 EHADRM CS[C@H]1CC[C@@H](NC(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)C1 ZINC001599787942 987955887 /nfs/dbraw/zinc/95/58/87/987955887.db2.gz JMLACPKEQGYQMD-APPZFPTMSA-N -1 0 346.811 3.583 20 0 EHADRM CC(C)(C)[C@H]1CN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CCO1 ZINC001589735661 987988430 /nfs/dbraw/zinc/98/84/30/987988430.db2.gz XJKQGTKLDGVLTN-TZMCWYRMSA-N -1 0 346.254 3.866 20 0 EHADRM CSC1CCN(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)CC1 ZINC001599790502 987999402 /nfs/dbraw/zinc/99/94/02/987999402.db2.gz HVPKTHPXHRDDBB-UHFFFAOYSA-N -1 0 344.436 3.897 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)c1cc(C(=O)[O-])ccn1)c1ccccc1 ZINC001589751081 988049393 /nfs/dbraw/zinc/04/93/93/988049393.db2.gz HMRIPHGQMFMCFV-INIZCTEOSA-N -1 0 326.396 3.687 20 0 EHADRM CSC[C@@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001599795492 988090937 /nfs/dbraw/zinc/09/09/37/988090937.db2.gz ZWOURVLFSWLMTJ-LBPRGKRZSA-N -1 0 344.436 3.897 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC001597511600 988092271 /nfs/dbraw/zinc/09/22/71/988092271.db2.gz GCXXSHDNWOTWFM-VFNWGFHPSA-N -1 0 339.435 3.859 20 0 EHADRM CC(C)(C)C[C@@H]1CCCN1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001589764344 988101081 /nfs/dbraw/zinc/10/10/81/988101081.db2.gz HIYJJFWDMJDEEO-INIZCTEOSA-N -1 0 332.444 3.538 20 0 EHADRM CSCC[C@@H](OC(=O)[C@H](C)c1ccc2ccccc2c1)C(=O)[O-] ZINC001599796451 988105595 /nfs/dbraw/zinc/10/55/95/988105595.db2.gz OCNIHJVXZAINNM-MLGOLLRUSA-N -1 0 332.421 3.693 20 0 EHADRM CCc1ccc([C@@H](NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C(C)C)cc1 ZINC001597514373 988119929 /nfs/dbraw/zinc/11/99/29/988119929.db2.gz MEXZCNFSSKYMRI-KSZLIROESA-N -1 0 331.456 3.953 20 0 EHADRM CSCC[C@H](OC(=O)c1cn(CC(C)C)c2ccccc12)C(=O)[O-] ZINC001599798062 988130353 /nfs/dbraw/zinc/13/03/53/988130353.db2.gz WRKITJMTCXOMCA-INIZCTEOSA-N -1 0 349.452 3.660 20 0 EHADRM CCc1ccc(C2=CCN(C(=O)c3oc(C(=O)[O-])cc3C)CC2)cc1 ZINC001597517413 988132872 /nfs/dbraw/zinc/13/28/72/988132872.db2.gz MJQISQIZTGUHFH-UHFFFAOYSA-N -1 0 339.391 3.778 20 0 EHADRM CSCc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(F)c(C)c2)cc1 ZINC001599802552 988201034 /nfs/dbraw/zinc/20/10/34/988201034.db2.gz RRWOXQMNTSFXGW-INIZCTEOSA-N -1 0 347.411 3.553 20 0 EHADRM CCc1ccc(NC(=O)C[C@]2(C)CC2(Cl)Cl)c(C(=O)[O-])c1 ZINC001597543069 988236193 /nfs/dbraw/zinc/23/61/93/988236193.db2.gz QXDZWTAEOKOFSL-CQSZACIVSA-N -1 0 330.211 3.860 20 0 EHADRM CCc1ccc(NC(=O)[C@@H](C)Cc2ccc(OC)cc2)c(C(=O)[O-])c1 ZINC001597543056 988236707 /nfs/dbraw/zinc/23/67/07/988236707.db2.gz QLFGFUPQOCKMMG-ZDUSSCGKSA-N -1 0 341.407 3.773 20 0 EHADRM CCc1ccc(NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1F ZINC001597546730 988252133 /nfs/dbraw/zinc/25/21/33/988252133.db2.gz BRXDGUOEBXRPLZ-UHFFFAOYSA-N -1 0 328.343 3.634 20 0 EHADRM CSc1cc(C(=O)Nc2ccc(OCC(=O)[O-])cc2C)ccc1F ZINC001599807806 988284562 /nfs/dbraw/zinc/28/45/62/988284562.db2.gz XHGAHHTWIORHKY-UHFFFAOYSA-N -1 0 349.383 3.572 20 0 EHADRM CC(C)(C)NC(=O)c1cccc(NCc2csc(C(=O)[O-])c2)c1 ZINC001589829440 988296219 /nfs/dbraw/zinc/29/62/19/988296219.db2.gz AWUXKWMMAKYALH-UHFFFAOYSA-N -1 0 332.425 3.587 20 0 EHADRM CSc1cc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)ccc1Cl ZINC001599809148 988304158 /nfs/dbraw/zinc/30/41/58/988304158.db2.gz VJNJWENTMCALSO-NXEZZACHSA-N -1 0 327.833 3.891 20 0 EHADRM CSc1ccc(C(=O)O[C@H](C(=O)[O-])c2c(F)cccc2Cl)o1 ZINC001599810491 988326095 /nfs/dbraw/zinc/32/60/95/988326095.db2.gz ZNCXDPMYTATYNF-LBPRGKRZSA-N -1 0 344.747 3.777 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cc(C)c(OC)c(C)c1 ZINC001597573517 988356858 /nfs/dbraw/zinc/35/68/58/988356858.db2.gz SECHSUJTHSHPCN-UHFFFAOYSA-N -1 0 327.380 3.825 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cc(F)cc2cccnc21 ZINC001597594781 988433912 /nfs/dbraw/zinc/43/39/12/988433912.db2.gz UIKONSTXKXAOSH-UHFFFAOYSA-N -1 0 338.338 3.887 20 0 EHADRM CSc1ccc(NC(=O)[C@@H]2CCCCC2(F)F)cc1C(=O)[O-] ZINC001599816483 988434959 /nfs/dbraw/zinc/43/49/59/988434959.db2.gz XYUWCFBGPIQZEB-NSHDSACASA-N -1 0 329.368 3.871 20 0 EHADRM CCc1cccc(NC(=O)CNc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC001597595023 988437359 /nfs/dbraw/zinc/43/73/59/988437359.db2.gz GORUOXXOOIDYOE-UHFFFAOYSA-N -1 0 340.423 3.662 20 0 EHADRM CCc1cccc(NC(=O)Nc2nc3c(s2)CC[C@H](C(=O)[O-])C3)c1 ZINC001597595235 988438623 /nfs/dbraw/zinc/43/86/23/988438623.db2.gz KEVHQGKLZSSKTR-NSHDSACASA-N -1 0 345.424 3.539 20 0 EHADRM CSc1ccc(NC(=O)c2cc(C)cc(Cl)n2)cc1C(=O)[O-] ZINC001599816760 988439264 /nfs/dbraw/zinc/43/92/64/988439264.db2.gz BIOMBIJOKHRLAI-UHFFFAOYSA-N -1 0 336.800 3.716 20 0 EHADRM CSc1ccc(NC(=O)NC[C@@H](C)CC(F)F)cc1C(=O)[O-] ZINC001599818226 988465366 /nfs/dbraw/zinc/46/53/66/988465366.db2.gz BZEPLTDBCGTUHJ-QMMMGPOBSA-N -1 0 332.372 3.520 20 0 EHADRM CCc1ccccc1NC(=O)[C@@H](C)SCc1cccc(C(=O)[O-])n1 ZINC001597611932 988513412 /nfs/dbraw/zinc/51/34/12/988513412.db2.gz UAWDUOMEWUMOEH-GFCCVEGCSA-N -1 0 344.436 3.603 20 0 EHADRM CCc1ccccc1NC(=O)[C@H](C)Oc1cc(C(=O)[O-])cc(F)c1C ZINC001597612311 988514893 /nfs/dbraw/zinc/51/48/93/988514893.db2.gz WOZKAOHIGZGZEW-LBPRGKRZSA-N -1 0 345.370 3.801 20 0 EHADRM CSc1cccc(N(C)C(=O)Nc2ccc(CC(=O)[O-])cc2)c1 ZINC001599821926 988529301 /nfs/dbraw/zinc/52/93/01/988529301.db2.gz KRAUMYYPQXABKJ-UHFFFAOYSA-N -1 0 330.409 3.704 20 0 EHADRM CCc1ccccc1OCC(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001597617196 988543054 /nfs/dbraw/zinc/54/30/54/988543054.db2.gz YCYNXWYJDZQJJC-UHFFFAOYSA-N -1 0 333.409 3.643 20 0 EHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001597621459 988548332 /nfs/dbraw/zinc/54/83/32/988548332.db2.gz NDLQMGIHBPZKDW-CSODHUTKSA-N -1 0 343.467 3.892 20 0 EHADRM CCc1cnc(CN(C)[C@H](C(=O)[O-])c2c(F)cccc2Cl)s1 ZINC001597627796 988584951 /nfs/dbraw/zinc/58/49/51/988584951.db2.gz TYCSKBBZFAFRDL-AWEZNQCLSA-N -1 0 342.823 3.756 20 0 EHADRM CSc1ccccc1[C@@H](C)NC(=O)c1ccc(C(=O)[O-])cc1F ZINC001599826589 988607222 /nfs/dbraw/zinc/60/72/22/988607222.db2.gz UUAXGPZLFCDJHO-SNVBAGLBSA-N -1 0 333.384 3.737 20 0 EHADRM CCc1csc([C@@H](C)Nc2ncc(C(=O)[O-])cc2C(F)(F)F)n1 ZINC001597640121 988636868 /nfs/dbraw/zinc/63/68/68/988636868.db2.gz UDWIXYGELBAMIK-SSDOTTSWSA-N -1 0 345.346 3.991 20 0 EHADRM CCc1[nH]nc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1-c1cccs1 ZINC001597645372 988663651 /nfs/dbraw/zinc/66/36/51/988663651.db2.gz ZPABFCGBESYGTI-QWRGUYRKSA-N -1 0 347.440 3.530 20 0 EHADRM CCc1[nH]nc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1-c1cccs1 ZINC001597645370 988663799 /nfs/dbraw/zinc/66/37/99/988663799.db2.gz ZPABFCGBESYGTI-GHMZBOCLSA-N -1 0 347.440 3.530 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)Nc1ccccc1Oc1cccc(F)c1 ZINC001599832307 988692118 /nfs/dbraw/zinc/69/21/18/988692118.db2.gz GAOBTGCFZIFOBE-NSHDSACASA-N -1 0 332.331 3.603 20 0 EHADRM CCc1nc(C)cc(N[C@@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])n1 ZINC001597661760 988733031 /nfs/dbraw/zinc/73/30/31/988733031.db2.gz UZFXKSBBLUDATL-RDJZCZTQSA-N -1 0 339.439 3.723 20 0 EHADRM CCc1nc(NC(=O)C2(c3ccccc3C)CCC2)sc1C(=O)[O-] ZINC001597675989 988787644 /nfs/dbraw/zinc/78/76/44/988787644.db2.gz OKCNMVZPAAWJRR-UHFFFAOYSA-N -1 0 344.436 3.773 20 0 EHADRM C[C@@H](NC(=O)NCC(C)(C)CC(=O)[O-])c1cccc2ccccc21 ZINC001599839743 988805402 /nfs/dbraw/zinc/80/54/02/988805402.db2.gz NWENMNCARSQVQA-CYBMUJFWSA-N -1 0 328.412 3.701 20 0 EHADRM C[C@@H](NC(=O)NCc1ccc(CC(=O)[O-])cc1)c1cccc(Cl)c1 ZINC001599840152 988812564 /nfs/dbraw/zinc/81/25/64/988812564.db2.gz HCTTVSUAJNQZBN-GFCCVEGCSA-N -1 0 346.814 3.528 20 0 EHADRM C[C@@H](OC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(C(F)(F)F)nc1 ZINC001599846716 988944796 /nfs/dbraw/zinc/94/47/96/988944796.db2.gz XCGSUFDRKKEKTM-GMTAPVOTSA-N -1 0 345.317 3.596 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cccc3c2OCCC3)c(C)c1 ZINC000650167072 1015436162 /nfs/dbraw/zinc/43/61/62/1015436162.db2.gz YWOOSFQQKHTEDR-UHFFFAOYSA-N -1 0 347.436 3.520 20 0 EHADRM C[C@@H]1CN(C(=O)NC2CCC3(CCCCC3)CC2)C[C@H]1CC(=O)[O-] ZINC001599858138 989122014 /nfs/dbraw/zinc/12/20/14/989122014.db2.gz XMFQEJGNZINVHE-HUUCEWRRSA-N -1 0 336.476 3.632 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN1CCc2c(F)cc(F)cc2[C@H]1C ZINC001597766501 989213764 /nfs/dbraw/zinc/21/37/64/989213764.db2.gz ROVPCNFHQOWQGI-SNVBAGLBSA-N -1 0 335.350 3.938 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN[C@H](C)c1cc(Cl)cc2c1OCC2 ZINC001597767448 989221283 /nfs/dbraw/zinc/22/12/83/989221283.db2.gz NORXMCZVLALVIE-SNVBAGLBSA-N -1 0 349.814 3.979 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN[C@H](c1nc(C)cs1)C(F)(F)F ZINC001597767810 989226477 /nfs/dbraw/zinc/22/64/77/989226477.db2.gz WSRUOBNGCLVSOY-LLVKDONJSA-N -1 0 348.346 3.698 20 0 EHADRM CC(C)(CNC(=O)CC1(CCc2ccccc2)CCCC1)C(=O)[O-] ZINC000510128997 1015472146 /nfs/dbraw/zinc/47/21/46/1015472146.db2.gz ACIQCEHRVCGOGG-UHFFFAOYSA-N -1 0 331.456 3.797 20 0 EHADRM CCc1sc(C(=O)Oc2ccc(/C=C\C(=O)[O-])cc2OC)cc1C ZINC001597820884 989462250 /nfs/dbraw/zinc/46/22/50/989462250.db2.gz RXJAMECMTXUCPW-VURMDHGXSA-N -1 0 346.404 3.945 20 0 EHADRM CCn1c2ccccc2nc1[C@H](C)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001597841166 989540832 /nfs/dbraw/zinc/54/08/32/989540832.db2.gz YDDUGTFECGVFBM-QWRGUYRKSA-N -1 0 344.440 3.623 20 0 EHADRM CCn1cc(C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])c2ccccc21 ZINC001597873893 989680081 /nfs/dbraw/zinc/68/00/81/989680081.db2.gz ABYQAGFSXWKMTG-HNNXBMFYSA-N -1 0 342.439 3.672 20 0 EHADRM CCn1cc(CC(=O)OCc2cc(C(=O)[O-])oc2C)c2ccccc21 ZINC001597884277 989719417 /nfs/dbraw/zinc/71/94/17/989719417.db2.gz HIIWZFPOEJXJPK-UHFFFAOYSA-N -1 0 341.363 3.547 20 0 EHADRM CC(C)(C)OC(=O)c1ccccc1CNCc1ccsc1C(=O)[O-] ZINC001590369565 989857561 /nfs/dbraw/zinc/85/75/61/989857561.db2.gz UEGUNMTUSMWKQR-UHFFFAOYSA-N -1 0 347.436 3.691 20 0 EHADRM CCn1cnnc1S[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001597926979 989871292 /nfs/dbraw/zinc/87/12/92/989871292.db2.gz SZFHBFSSTGUQGA-JTQLQIEISA-N -1 0 332.212 3.523 20 0 EHADRM CC(C)(C)OC1CC(CC(=O)Nc2cc(F)cc(C(=O)[O-])c2F)C1 ZINC001590374725 989871766 /nfs/dbraw/zinc/87/17/66/989871766.db2.gz SYNJJVNTVZBDHX-UHFFFAOYSA-N -1 0 341.354 3.585 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)Oc2ccc(CC(=O)[O-])cc2)c1 ZINC001590416041 989954902 /nfs/dbraw/zinc/95/49/02/989954902.db2.gz GDJSZMCMXPXUPH-UHFFFAOYSA-N -1 0 328.364 3.710 20 0 EHADRM CC(C)(C)Sc1ccc(NC(=O)C23CC(C(=O)[O-])(C2)C3)cc1F ZINC001590434743 989992180 /nfs/dbraw/zinc/99/21/80/989992180.db2.gz HYNFFKRQWFWKHQ-UHFFFAOYSA-N -1 0 337.416 3.910 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)CC(F)(F)C(F)F)s1 ZINC001590461223 990029040 /nfs/dbraw/zinc/02/90/40/990029040.db2.gz WOPCZEOLOGUAPR-UHFFFAOYSA-N -1 0 341.326 3.973 20 0 EHADRM CC(C)(C)c1cc(C(=O)OCc2ccc(C(=O)[O-])o2)cc(Cl)n1 ZINC001590463334 990038175 /nfs/dbraw/zinc/03/81/75/990038175.db2.gz IVYNOURAITZRRY-UHFFFAOYSA-N -1 0 337.759 3.681 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)cc1 ZINC001590493136 990094687 /nfs/dbraw/zinc/09/46/87/990094687.db2.gz KJKCXBQARVXZRF-KOZAUXTDSA-N -1 0 330.428 3.605 20 0 EHADRM CN(C(=O)C1(CCF)CC1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001597996545 990104008 /nfs/dbraw/zinc/10/40/08/990104008.db2.gz LYZJMAYDGVHMFT-LBPRGKRZSA-N -1 0 348.201 3.717 20 0 EHADRM CC(C)(C)c1ccc(OCc2nnc(-c3ccc(C(=O)[O-])o3)o2)cc1 ZINC001590498039 990105276 /nfs/dbraw/zinc/10/52/76/990105276.db2.gz LJZSLHSVYJSFGJ-UHFFFAOYSA-N -1 0 342.351 3.904 20 0 EHADRM CC(C)(C)c1ccc2cc(C(=O)NC3(C(=O)[O-])CCCCC3)[nH]c2c1 ZINC001590500705 990115668 /nfs/dbraw/zinc/11/56/68/990115668.db2.gz LADHHPBLTIOJAC-UHFFFAOYSA-N -1 0 342.439 3.983 20 0 EHADRM CC(C)(C)c1ccc2[nH]c(C(=O)N[C@](C)(CC(=O)[O-])C3CC3)cc2c1 ZINC001590501013 990116571 /nfs/dbraw/zinc/11/65/71/990116571.db2.gz NYIXORWDYQRLFF-HXUWFJFHSA-N -1 0 342.439 3.839 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)Oc2ccc(C(=O)[O-])cc2)s1 ZINC001590501387 990118262 /nfs/dbraw/zinc/11/82/62/990118262.db2.gz ZXSIVJKIFVBWLR-UHFFFAOYSA-N -1 0 340.422 3.512 20 0 EHADRM CN(C(=O)C[C@@H]1C=CCC1)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598008334 990170896 /nfs/dbraw/zinc/17/08/96/990170896.db2.gz VQDRBNVXXKFOSM-MEBBXXQBSA-N -1 0 342.222 3.934 20 0 EHADRM CC(C)(C)c1nc(C[S@](=O)C[C@@H]2CCCC[C@H]2C(=O)[O-])cs1 ZINC001590542464 990172893 /nfs/dbraw/zinc/17/28/93/990172893.db2.gz WHEYICVROAYNCL-WBLQJCTDSA-N -1 0 343.514 3.580 20 0 EHADRM CN(C(=O)CCCCc1ccc(Cl)cc1)C1(C(=O)[O-])CCCC1 ZINC001598012824 990186944 /nfs/dbraw/zinc/18/69/44/990186944.db2.gz GFQSYEGIPMKNRU-UHFFFAOYSA-N -1 0 337.847 3.909 20 0 EHADRM CN(C(=O)CCc1cnc2ccccc2c1)c1ccccc1C(=O)[O-] ZINC001598018674 990203047 /nfs/dbraw/zinc/20/30/47/990203047.db2.gz VQIALFPIQMZSRZ-UHFFFAOYSA-N -1 0 334.375 3.529 20 0 EHADRM CN(C(=O)Cc1ccc(C2CCCCC2)cc1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598034896 990261233 /nfs/dbraw/zinc/26/12/33/990261233.db2.gz YDVSDIOWRZBOBT-HDICACEKSA-N -1 0 329.440 3.598 20 0 EHADRM CN(C(=O)Cc1ccccc1C(=O)[O-])[C@H]1CCCC[C@H]1C(F)(F)F ZINC001598036162 990262738 /nfs/dbraw/zinc/26/27/38/990262738.db2.gz GNVFNHUXGUCGBA-KGLIPLIRSA-N -1 0 343.345 3.507 20 0 EHADRM CN(C(=O)N[C@H]1CC=C(C(=O)[O-])C1)C1c2ccccc2-c2ccccc21 ZINC001598049513 990297547 /nfs/dbraw/zinc/29/75/47/990297547.db2.gz RTODOTQODSMNBI-AWEZNQCLSA-N -1 0 348.402 3.571 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCN(C(=O)CC(C)(C)CC(=O)[O-])C2 ZINC001590627695 990316656 /nfs/dbraw/zinc/31/66/56/990316656.db2.gz KYCKCGOWYVORRW-UHFFFAOYSA-N -1 0 331.456 3.760 20 0 EHADRM CC(C)(C)c1cc(C(=O)NC(C)(C)CC(=O)[O-])cc(C(C)(C)C)c1O ZINC001590642166 990331373 /nfs/dbraw/zinc/33/13/73/990331373.db2.gz CVANQHFCJOOHFC-UHFFFAOYSA-N -1 0 349.471 3.970 20 0 EHADRM CN(C(=O)Nc1cccc(CCC(=O)[O-])c1)C1CC(OC(C)(C)C)C1 ZINC001598061681 990334660 /nfs/dbraw/zinc/33/46/60/990334660.db2.gz MAXORNLWZPWOJH-UHFFFAOYSA-N -1 0 348.443 3.514 20 0 EHADRM CC(C)(CC(=O)OCc1cc(C(=O)[O-])co1)CC(=O)c1ccccc1 ZINC001590649282 990338070 /nfs/dbraw/zinc/33/80/70/990338070.db2.gz WKHZKTHQTDEJPD-UHFFFAOYSA-N -1 0 344.363 3.710 20 0 EHADRM CN(C(=O)OC1CCCCC1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598067183 990357207 /nfs/dbraw/zinc/35/72/07/990357207.db2.gz RYFANNACVZKGEM-AWEZNQCLSA-N -1 0 345.317 3.631 20 0 EHADRM CC(C)(C)c1ccc(C(F)(F)C(=O)NCCC(C)(C)C(=O)[O-])cc1 ZINC001590670325 990369150 /nfs/dbraw/zinc/36/91/50/990369150.db2.gz IVPLPXWVDUIITI-UHFFFAOYSA-N -1 0 341.398 3.693 20 0 EHADRM CN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(C(F)(F)F)cc1Cl ZINC001598072939 990373769 /nfs/dbraw/zinc/37/37/69/990373769.db2.gz SIKHTDBVYWPCCY-DTWKUNHWSA-N -1 0 349.736 3.823 20 0 EHADRM CN(C(=O)[C@H]1C[C@@H]1C1CC1)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598073144 990375431 /nfs/dbraw/zinc/37/54/31/990375431.db2.gz RQHCJUDKNPDCCY-SUNKGSAMSA-N -1 0 342.222 3.624 20 0 EHADRM CN(C(=O)c1cc2c(cncc2Cl)s1)c1ccccc1C(=O)[O-] ZINC001598078888 990389550 /nfs/dbraw/zinc/38/95/50/990389550.db2.gz LOQUJWVKMGUOLA-UHFFFAOYSA-N -1 0 346.795 3.925 20 0 EHADRM CC(C)(CNC(=O)C1(c2cccc(F)c2)CCCCC1)CC(=O)[O-] ZINC001590706708 990453183 /nfs/dbraw/zinc/45/31/83/990453183.db2.gz ZXDVRKXBHSWMJA-UHFFFAOYSA-N -1 0 335.419 3.645 20 0 EHADRM CN(C(=O)c1sccc1SC(F)F)C1(C(=O)[O-])CCCCC1 ZINC001598103480 990473314 /nfs/dbraw/zinc/47/33/14/990473314.db2.gz JJGVRAOQSLDGRQ-UHFFFAOYSA-N -1 0 349.424 3.922 20 0 EHADRM CC(C)(C)[C@H]1CCC[C@@H](NC(=O)NCC(C)(C)CC(=O)[O-])CC1 ZINC001590724381 990511831 /nfs/dbraw/zinc/51/18/31/990511831.db2.gz XSEYUVDTLSEAAD-UONOGXRCSA-N -1 0 326.481 3.782 20 0 EHADRM CC(C)(NC(=O)CCCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001590840577 990708053 /nfs/dbraw/zinc/70/80/53/990708053.db2.gz SBDHUPHWXNNGBW-UHFFFAOYSA-N -1 0 331.334 3.702 20 0 EHADRM CC(C)(c1ccccc1)C1(NC(=O)NCCCCCCC(=O)[O-])CC1 ZINC001590909441 990879916 /nfs/dbraw/zinc/87/99/16/990879916.db2.gz WLWWDPFCNBGCDH-UHFFFAOYSA-N -1 0 346.471 3.831 20 0 EHADRM COc1cccc2cc(C(=O)Nc3c(F)cccc3C(=O)[O-])oc21 ZINC001599692258 991089297 /nfs/dbraw/zinc/08/92/97/991089297.db2.gz LRXGRYITKQXUJP-UHFFFAOYSA-N -1 0 329.283 3.531 20 0 EHADRM CC(C)[C@H](CCc1ccccc1)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001590980790 991134269 /nfs/dbraw/zinc/13/42/69/991134269.db2.gz KDJCQHQDADBAEI-MSOLQXFVSA-N -1 0 331.456 3.509 20 0 EHADRM COc1ccccc1C(C)(C)CNC(=O)Nc1ccc(C(=O)[O-])s1 ZINC001599697718 991173393 /nfs/dbraw/zinc/17/33/93/991173393.db2.gz NEXPLJLCBVYLMA-UHFFFAOYSA-N -1 0 348.424 3.554 20 0 EHADRM CC(C)C(CNC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)C(C)C ZINC001590988119 991178853 /nfs/dbraw/zinc/17/88/53/991178853.db2.gz FAYZOVVGSVXJPS-UHFFFAOYSA-N -1 0 331.416 3.916 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)CC(C1CCC1)C1CCC1 ZINC001598292390 991203642 /nfs/dbraw/zinc/20/36/42/991203642.db2.gz GYAUIDVWTAFRBG-UHFFFAOYSA-N -1 0 344.455 3.996 20 0 EHADRM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001590993765 991215648 /nfs/dbraw/zinc/21/56/48/991215648.db2.gz RLJIUHSEOSEPGF-KRWDZBQOSA-N -1 0 344.386 3.913 20 0 EHADRM COc1ccccc1CC(C)(C)C(=O)O[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001599704003 991264497 /nfs/dbraw/zinc/26/44/97/991264497.db2.gz NJVRQJBCBAZLRU-LBPRGKRZSA-N -1 0 346.379 3.860 20 0 EHADRM CC(C)[C@@H](NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)c1ccccc1 ZINC001591007842 991272619 /nfs/dbraw/zinc/27/26/19/991272619.db2.gz OOTDXBGMEJSQIZ-MBOZVWFJSA-N -1 0 344.455 3.670 20 0 EHADRM CN(C)c1ccc(CSc2nc3ccc(C(=O)[O-])cc3o2)cc1 ZINC001598320716 991318797 /nfs/dbraw/zinc/31/87/97/991318797.db2.gz ORHCJWXEZOESQM-UHFFFAOYSA-N -1 0 328.393 3.884 20 0 EHADRM COc1ccccc1CCC(=O)O[C@@H](C)c1ccc(C(=O)[O-])cc1 ZINC001599708686 991333233 /nfs/dbraw/zinc/33/32/33/991333233.db2.gz KIQYXQKYKPSUPI-ZDUSSCGKSA-N -1 0 328.364 3.630 20 0 EHADRM COc1ccccc1C/C(C)=C\C(=O)Nc1scc(C(=O)[O-])c1C ZINC001599709369 991345311 /nfs/dbraw/zinc/34/53/11/991345311.db2.gz QBIGJFVWXDEPEP-LUAWRHEFSA-N -1 0 345.420 3.891 20 0 EHADRM CN(C)c1cccc2sc(C(=O)NCCCCCCC(=O)[O-])cc21 ZINC001598342654 991415716 /nfs/dbraw/zinc/41/57/16/991415716.db2.gz WWJUCLPKKVWKOX-UHFFFAOYSA-N -1 0 348.468 3.732 20 0 EHADRM CC(C)[C@H]1C[C@H]1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001591078916 991568562 /nfs/dbraw/zinc/56/85/62/991568562.db2.gz AFAQMRJUIBTSMP-HUUCEWRRSA-N -1 0 327.380 3.534 20 0 EHADRM CC(C)[C@H]1C[C@@H]1C(=O)Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1 ZINC001591080399 991582402 /nfs/dbraw/zinc/58/24/02/991582402.db2.gz QOWFWCUHDLCPDU-OLZOCXBDSA-N -1 0 330.409 3.739 20 0 EHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)C1 ZINC001591082522 991599585 /nfs/dbraw/zinc/59/95/85/991599585.db2.gz UNZPMHORFOZDAY-NHAYFPRASA-N -1 0 329.440 3.576 20 0 EHADRM CC(C)[C@H]1CCN(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)C1 ZINC001591092455 991642118 /nfs/dbraw/zinc/64/21/18/991642118.db2.gz KEGBGXDAEVVTEM-VIFPVBQESA-N -1 0 328.771 3.687 20 0 EHADRM CC(C)[C@@H]1CN(c2cc(C(F)(F)F)c(C(=O)[O-])cn2)[C@@H]1C(C)C ZINC001591096185 991685691 /nfs/dbraw/zinc/68/56/91/991685691.db2.gz BMCDIYGBFUAITE-SMDDNHRTSA-N -1 0 330.350 3.915 20 0 EHADRM CC(C)[C@H]1OCCC[C@H]1CNc1ncc(C(=O)[O-])cc1C(F)(F)F ZINC001591104377 991726566 /nfs/dbraw/zinc/72/65/66/991726566.db2.gz ALYSHIKPAKATQL-GXFFZTMASA-N -1 0 346.349 3.662 20 0 EHADRM CC(C)C[C@H](C)C(=O)N[C@@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001591129840 991819732 /nfs/dbraw/zinc/81/97/32/991819732.db2.gz CSPCQZSXDPWXEF-ZVZYQTTQSA-N -1 0 331.456 3.748 20 0 EHADRM CC(C)C[C@H](C)C(=O)Oc1cc(Br)cc(C(=O)[O-])c1 ZINC001591133642 991833219 /nfs/dbraw/zinc/83/32/19/991833219.db2.gz JJBKEVHIGRUWJI-VIFPVBQESA-N -1 0 329.190 3.735 20 0 EHADRM CN(C[C@@H]1CC=CCC1)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001598453427 991914968 /nfs/dbraw/zinc/91/49/68/991914968.db2.gz IWWLNEMGDRPREH-SNVBAGLBSA-N -1 0 340.782 3.997 20 0 EHADRM CC(C)CC1(NC(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)CC1 ZINC001591197502 992018443 /nfs/dbraw/zinc/01/84/43/992018443.db2.gz ITYUHDHSJFDTLL-UHFFFAOYSA-N -1 0 342.342 3.686 20 0 EHADRM CC(C)C[C@@H]1C[C@H](Nc2cc(C(F)(F)F)c(C(=O)[O-])cn2)CCO1 ZINC001591205530 992029931 /nfs/dbraw/zinc/02/99/31/992029931.db2.gz JNSQJMIXVHAFMM-GHMZBOCLSA-N -1 0 346.349 3.804 20 0 EHADRM CC(C)C[C@@H]1CCCN(C(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)C1 ZINC001591207431 992041042 /nfs/dbraw/zinc/04/10/42/992041042.db2.gz LMHZAYGDKKKHKS-RIFZZMRRSA-N -1 0 329.440 3.530 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC001598474091 992061839 /nfs/dbraw/zinc/06/18/39/992061839.db2.gz OZYNTHKUISLCPD-UHFFFAOYSA-N -1 0 349.471 3.924 20 0 EHADRM CC(C)CCCCCCNC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001591237282 992121679 /nfs/dbraw/zinc/12/16/79/992121679.db2.gz ZQZPDEGGBINHLA-VQIMIIECSA-N -1 0 338.492 3.879 20 0 EHADRM CC(C)CCOc1ccc(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001591259384 992161644 /nfs/dbraw/zinc/16/16/44/992161644.db2.gz IGOLFKLNTJBXTB-SFHVURJKSA-N -1 0 347.455 3.875 20 0 EHADRM CC(C)CCOc1ccc(C(=O)N[C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001591259380 992162141 /nfs/dbraw/zinc/16/21/41/992162141.db2.gz IGOLFKLNTJBXTB-GOSISDBHSA-N -1 0 347.455 3.875 20 0 EHADRM CC(C)CCn1c(NCc2ncc(C(=O)[O-])s2)nc2ccccc21 ZINC001591274563 992194910 /nfs/dbraw/zinc/19/49/10/992194910.db2.gz RGBKWRQWUIIHJE-UHFFFAOYSA-N -1 0 344.440 3.849 20 0 EHADRM CC(C)CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C(C)(C)C(=O)[O-] ZINC001591281022 992211213 /nfs/dbraw/zinc/21/12/13/992211213.db2.gz UOXFILMPYCYWHH-UHFFFAOYSA-N -1 0 346.254 3.884 20 0 EHADRM CC(C)CN(C(=O)c1nc(-c2ccccc2)cs1)C(C)(C)C(=O)[O-] ZINC001591285414 992223379 /nfs/dbraw/zinc/22/33/79/992223379.db2.gz QKYLLERTSBUXKS-UHFFFAOYSA-N -1 0 346.452 3.772 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001591298253 992248432 /nfs/dbraw/zinc/24/84/32/992248432.db2.gz XNROOZFHDDYRKQ-UHFFFAOYSA-N -1 0 337.725 3.542 20 0 EHADRM CN(CCOc1ccccc1)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001598499533 992414116 /nfs/dbraw/zinc/41/41/16/992414116.db2.gz DUBCBYZWQFKLCA-UHFFFAOYSA-N -1 0 348.786 3.581 20 0 EHADRM CC(C)COCCC(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001591389781 992439663 /nfs/dbraw/zinc/43/96/63/992439663.db2.gz IANQLJZJHVJBQD-CQSZACIVSA-N -1 0 349.210 3.725 20 0 EHADRM CC(C)CO[C@H]1CCN([C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1 ZINC001591391243 992450519 /nfs/dbraw/zinc/45/05/19/992450519.db2.gz ICMRAVKQJVJLOQ-GJZGRUSLSA-N -1 0 345.361 3.578 20 0 EHADRM CN(Cc1cc2ccccc2[nH]1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001598508645 992537927 /nfs/dbraw/zinc/53/79/27/992537927.db2.gz UELWYBLENNUFPL-UHFFFAOYSA-N -1 0 341.342 3.669 20 0 EHADRM CN(Cc1cc2ccccc2o1)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001598508994 992543073 /nfs/dbraw/zinc/54/30/73/992543073.db2.gz RIXMDHJGJGSPHH-UHFFFAOYSA-N -1 0 329.396 3.816 20 0 EHADRM CC(C)C[C@@H]1C[C@H]1NC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001591444826 992544548 /nfs/dbraw/zinc/54/45/48/992544548.db2.gz XSUXUASPTLENNR-JFIYKMOQSA-N -1 0 344.455 3.539 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@H]1CCC[C@H]1c1ccccc1 ZINC001598510389 992562491 /nfs/dbraw/zinc/56/24/91/992562491.db2.gz QLKPPIIZCNHGNN-OALUTQOASA-N -1 0 337.419 3.927 20 0 EHADRM CC(C)Cc1cc(NCCc2cc3ccc(C(=O)[O-])cc3o2)ncn1 ZINC001591477342 992597169 /nfs/dbraw/zinc/59/71/69/992597169.db2.gz LYYZEVFTJNMAMW-UHFFFAOYSA-N -1 0 339.395 3.774 20 0 EHADRM CC(C)Cc1ccccc1C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001591489004 992618717 /nfs/dbraw/zinc/61/87/17/992618717.db2.gz MVXSQFVVPYTJLG-UHFFFAOYSA-N -1 0 346.452 3.956 20 0 EHADRM CC(C)Cc1ccccc1C(=O)Nc1ncc(C(=O)[O-])cc1Cl ZINC001591489820 992622497 /nfs/dbraw/zinc/62/24/97/992622497.db2.gz YQZNAIPVRANQMW-UHFFFAOYSA-N -1 0 332.787 3.884 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)N(C)c2ncc(C(=O)[O-])s2)c1 ZINC001591489853 992622616 /nfs/dbraw/zinc/62/26/16/992622616.db2.gz ZKHHPULICNQFJH-GFCCVEGCSA-N -1 0 346.452 3.806 20 0 EHADRM CCc1cccc(C)c1NC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000339835844 1015730300 /nfs/dbraw/zinc/73/03/00/1015730300.db2.gz XVBSBXLXLNPMOG-UHFFFAOYSA-N -1 0 339.370 3.840 20 0 EHADRM CN(Cc1ccccc1NC[C@@H]1[C@@H](C(=O)[O-])C1(F)F)c1ccccc1 ZINC001598530432 992773231 /nfs/dbraw/zinc/77/32/31/992773231.db2.gz GPAVKDZLTPKUIX-WBVHZDCISA-N -1 0 346.377 3.701 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)CCCCc1ccc(Cl)cc1 ZINC001591575670 992787753 /nfs/dbraw/zinc/78/77/53/992787753.db2.gz MOPFOMRZKOMMGB-UHFFFAOYSA-N -1 0 325.836 3.765 20 0 EHADRM CN(c1nc(-c2cccs2)nc2ccccc21)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598546713 992953707 /nfs/dbraw/zinc/95/37/07/992953707.db2.gz NEEGEAAWHVSTGY-TXEJJXNPSA-N -1 0 339.420 3.658 20 0 EHADRM CC(C)[C@H](NC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001593083983 993685228 /nfs/dbraw/zinc/68/52/28/993685228.db2.gz PMXFHIXRBGIAFD-FZMZJTMJSA-N -1 0 347.440 3.599 20 0 EHADRM COc1ccc(NCc2ccccc2O[C@@H](C)C(=O)[O-])cc1SC ZINC001599597231 993763827 /nfs/dbraw/zinc/76/38/27/993763827.db2.gz MICAHTDKKUFUFH-LBPRGKRZSA-N -1 0 347.436 3.881 20 0 EHADRM COc1ccc(NCc2ccccc2O[C@@H](C)C(=O)[O-])cc1Cl ZINC001599597341 993766085 /nfs/dbraw/zinc/76/60/85/993766085.db2.gz REAPYURTGZDVOI-NSHDSACASA-N -1 0 335.787 3.813 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(C(=O)[O-])nc1)c1csc2ccccc21 ZINC001593117978 993822245 /nfs/dbraw/zinc/82/22/45/993822245.db2.gz YFQMXQLEMFXYBJ-JTQLQIEISA-N -1 0 341.392 3.877 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])[nH]1)C(c1ccccc1)c1ccccc1 ZINC001593156868 993979258 /nfs/dbraw/zinc/97/92/58/993979258.db2.gz PYGUEKBPFGBVSN-AWEZNQCLSA-N -1 0 348.402 3.663 20 0 EHADRM COc1ccc(S[C@H](C)C(=O)Oc2cc(C(=O)[O-])ccc2C)cc1 ZINC001599618129 994045165 /nfs/dbraw/zinc/04/51/65/994045165.db2.gz BRCQEXJOUHMWJL-GFCCVEGCSA-N -1 0 346.404 3.788 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2c(C)csc2C(=O)[O-])cc1 ZINC001599620497 994073955 /nfs/dbraw/zinc/07/39/55/994073955.db2.gz IQPJGFJXUMHHTN-JSGCOSHPSA-N -1 0 345.420 3.896 20 0 EHADRM CC(NC(=O)c1ccoc1CC(=O)[O-])(c1ccccc1)c1ccccc1 ZINC001593183346 994075731 /nfs/dbraw/zinc/07/57/31/994075731.db2.gz BTEWTGGKPBSDMH-UHFFFAOYSA-N -1 0 349.386 3.600 20 0 EHADRM C[C@@H](N[C@@H](C)c1cccc(N2CCCC2=O)c1)c1ccc(C(=O)[O-])o1 ZINC001593199664 994179922 /nfs/dbraw/zinc/17/99/22/994179922.db2.gz YCAHBHUJGUEHLS-QWHCGFSZSA-N -1 0 342.395 3.516 20 0 EHADRM COc1ccc2oc(CN[C@H](C(=O)[O-])c3ccc(F)c(C)c3)cc2c1 ZINC001599637505 994310364 /nfs/dbraw/zinc/31/03/64/994310364.db2.gz LOBTVCFFBJPUDW-SFHVURJKSA-N -1 0 343.354 3.804 20 0 EHADRM COc1ccc2oc(C)c(C(=O)O[C@@H](C(=O)[O-])c3ccccc3)c2c1 ZINC001599637555 994311805 /nfs/dbraw/zinc/31/18/05/994311805.db2.gz NWMWDLDUHCKYHE-QGZVFWFLSA-N -1 0 340.331 3.733 20 0 EHADRM COc1ccc2oc(C(=O)O[C@@H](C)c3ccc(C(=O)[O-])o3)c(C)c2c1 ZINC001599637639 994312570 /nfs/dbraw/zinc/31/25/70/994312570.db2.gz GWKRONCVVXMXMC-JTQLQIEISA-N -1 0 344.319 3.959 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)[C@@H]1CCCc2sccc21 ZINC001599645274 994416817 /nfs/dbraw/zinc/41/68/17/994416817.db2.gz JCAVSFAPNMWASG-GFCCVEGCSA-N -1 0 345.420 3.538 20 0 EHADRM COc1cccc([C@H](C(=O)[O-])N(C)C(=O)c2ccccc2C(F)F)c1 ZINC001599649138 994469550 /nfs/dbraw/zinc/46/95/50/994469550.db2.gz OFHFVKNVDWNMEV-OAHLLOKOSA-N -1 0 349.333 3.531 20 0 EHADRM COc1cccc(C(F)F)c1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001599657726 994608691 /nfs/dbraw/zinc/60/86/91/994608691.db2.gz QHXDJNBLGXNTMB-UHFFFAOYSA-N -1 0 335.306 3.512 20 0 EHADRM COc1cccc([C@@H](Sc2nc3ccc(F)cc3o2)C(=O)[O-])c1 ZINC001599660892 994654903 /nfs/dbraw/zinc/65/49/03/994654903.db2.gz HXHCFFHWQHCIST-CQSZACIVSA-N -1 0 333.340 3.894 20 0 EHADRM COc1cccc(C)c1NC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC001599661029 994655839 /nfs/dbraw/zinc/65/58/39/994655839.db2.gz APUBXKBQUPQACS-LBPRGKRZSA-N -1 0 328.368 3.836 20 0 EHADRM COc1cccc(C[C@@H](C)CC(=O)Nc2cccc(F)c2C(=O)[O-])c1 ZINC001599664145 994702878 /nfs/dbraw/zinc/70/28/78/994702878.db2.gz AWJJEUAHNBIZBB-GFCCVEGCSA-N -1 0 345.370 3.740 20 0 EHADRM COc1cccc([C@@H]2C[C@H]2C(=O)Oc2cc(C(=O)[O-])cc(F)c2C)c1 ZINC001599666323 994735886 /nfs/dbraw/zinc/73/58/86/994735886.db2.gz QEYFIXJXMISUGQ-LSDHHAIUSA-N -1 0 344.338 3.550 20 0 EHADRM C[C@H](Nc1cccc(CN(C)C(=O)OC(C)(C)C)c1)[C@H]1C[C@H]1C(=O)[O-] ZINC001593365566 995041705 /nfs/dbraw/zinc/04/17/05/995041705.db2.gz BINUUKCINCXIHW-APHBMKBZSA-N -1 0 348.443 3.575 20 0 EHADRM C[C@@H](Nc1cnc(C(=O)[O-])cn1)c1cccc(SC(F)(F)F)c1 ZINC001593366949 995055965 /nfs/dbraw/zinc/05/59/65/995055965.db2.gz IYOVCSIETUPUEL-MRVPVSSYSA-N -1 0 343.330 3.960 20 0 EHADRM CN(C)c1ccccc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000109424072 1015933663 /nfs/dbraw/zinc/93/36/63/1015933663.db2.gz ZZTGODIYWYNRBA-UHFFFAOYSA-N -1 0 344.358 3.572 20 0 EHADRM C[C@H](OC(=O)C1CC(c2ccc(F)cc2)C1)c1cc(C(=O)[O-])co1 ZINC001593500512 995498155 /nfs/dbraw/zinc/49/81/55/995498155.db2.gz NRQPDWWKSSPBTA-PKSQDBQZSA-N -1 0 332.327 3.915 20 0 EHADRM C[C@@H](OC(=O)c1cc(F)c(Cl)nc1Cl)c1cc(C(=O)[O-])co1 ZINC001593565366 995659436 /nfs/dbraw/zinc/65/94/36/995659436.db2.gz PRBDJZDDDKGMSJ-RXMQYKEDSA-N -1 0 348.113 3.737 20 0 EHADRM C[C@@H](OC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccc(F)c(Cl)c1 ZINC001593567661 995665061 /nfs/dbraw/zinc/66/50/61/995665061.db2.gz ZBUZSCXBHVZRIG-GMTAPVOTSA-N -1 0 328.767 3.974 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)O[C@H](C(=O)[O-])c1ccsc1 ZINC001593604468 995777409 /nfs/dbraw/zinc/77/74/09/995777409.db2.gz QQMNLDNOHDZPRV-RISCZKNCSA-N -1 0 326.414 3.545 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)C(C)(C)C(C)(C)C)cc1F)C(=O)[O-] ZINC001593624740 995888954 /nfs/dbraw/zinc/88/89/54/995888954.db2.gz SWLWXBMUEDVDPS-JTQLQIEISA-N -1 0 325.380 3.688 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)C(=O)OCc2ccc(C(=O)[O-])o2)c1 ZINC001593636144 995936305 /nfs/dbraw/zinc/93/63/05/995936305.db2.gz JLHSUQQSVWKYFN-LBPRGKRZSA-N -1 0 332.352 3.612 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)C(=O)Nc2ccc(C(=O)[O-])c(O)c2)c1 ZINC001593636745 995938039 /nfs/dbraw/zinc/93/80/39/995938039.db2.gz RPQJJOPSMGZKBV-LBPRGKRZSA-N -1 0 343.379 3.620 20 0 EHADRM C[C@@H](Oc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C ZINC001593640275 995944713 /nfs/dbraw/zinc/94/47/13/995944713.db2.gz BPBXZGGBRPXLPW-DYVFJYSZSA-N -1 0 343.423 3.613 20 0 EHADRM C[C@H](Oc1ccccc1CN(C)Cc1ccc(Cl)s1)C(=O)[O-] ZINC001593645652 995976781 /nfs/dbraw/zinc/97/67/81/995976781.db2.gz SRLMFNFTIRGNRY-NSHDSACASA-N -1 0 339.844 3.885 20 0 EHADRM C[C@@H](SCC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccccc1F ZINC001593656630 996027461 /nfs/dbraw/zinc/02/74/61/996027461.db2.gz KVNOHZWVVKKTKA-LLVKDONJSA-N -1 0 333.384 3.957 20 0 EHADRM C[C@H](SCc1ccc(C(=O)[O-])cc1)C(=O)NCC1CCCCC1 ZINC001593661896 996039999 /nfs/dbraw/zinc/03/99/99/996039999.db2.gz RAZQYKQEVHQRFZ-ZDUSSCGKSA-N -1 0 335.469 3.703 20 0 EHADRM C[C@@H](SCc1cn(CC(=O)[O-])nn1)c1ccc(Cl)c(Cl)c1 ZINC001593664157 996049464 /nfs/dbraw/zinc/04/94/64/996049464.db2.gz XYWFMEGMIJVOMZ-MRVPVSSYSA-N -1 0 346.239 3.664 20 0 EHADRM C[C@@H](Sc1ccc(F)cc1)C(=O)N(C)c1ccccc1C(=O)[O-] ZINC001593667041 996055197 /nfs/dbraw/zinc/05/51/97/996055197.db2.gz IZYBBBBQAAUVCB-LLVKDONJSA-N -1 0 333.384 3.668 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N[C@H](C1CC1)C1CCC1)C(=O)[O-] ZINC001593668566 996064841 /nfs/dbraw/zinc/06/48/41/996064841.db2.gz DOUDQSJFAKOCAN-ZBEGNZNMSA-N -1 0 333.453 3.560 20 0 EHADRM C[C@@H](Sc1nc(-c2ccc(F)cc2)c[nH]1)c1nc(C(=O)[O-])co1 ZINC001593678784 996095449 /nfs/dbraw/zinc/09/54/49/996095449.db2.gz ADTSNCPYYVIKGV-MRVPVSSYSA-N -1 0 333.344 3.755 20 0 EHADRM C[C@@H](Sc1ccnc(C(=O)[O-])n1)c1cccc(Br)c1 ZINC001593680132 996106477 /nfs/dbraw/zinc/10/64/77/996106477.db2.gz UURRUBKFSRZDGV-MRVPVSSYSA-N -1 0 339.214 3.791 20 0 EHADRM C[C@@H](Sc1cnc(C(=O)[O-])cn1)c1cccc(Br)c1 ZINC001593680413 996108847 /nfs/dbraw/zinc/10/88/47/996108847.db2.gz ZEMRFTGSMUMVGM-MRVPVSSYSA-N -1 0 339.214 3.791 20 0 EHADRM C[C@H](c1cc2ccccc2o1)N(C)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001593685823 996118925 /nfs/dbraw/zinc/11/89/25/996118925.db2.gz CSKOCLNODWVTKX-NFAWXSAZSA-N -1 0 344.411 3.779 20 0 EHADRM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)c1cnc(C(=O)[O-])cn1 ZINC001593694180 996148640 /nfs/dbraw/zinc/14/86/40/996148640.db2.gz RILOQCAAJLEFPY-QMMMGPOBSA-N -1 0 326.183 3.679 20 0 EHADRM C[C@H](c1nc(-c2ccc(C(=O)[O-])cc2)no1)c1ccc(F)c(F)c1 ZINC001593694611 996152064 /nfs/dbraw/zinc/15/20/64/996152064.db2.gz ZPINLZWNDUOCIB-VIFPVBQESA-N -1 0 330.290 3.865 20 0 EHADRM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001593698042 996160386 /nfs/dbraw/zinc/16/03/86/996160386.db2.gz DCOSDJMACBPIHK-WCFLWFBJSA-N -1 0 343.345 3.726 20 0 EHADRM C[C@H](c1ccccc1)N(C)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001593705739 996192957 /nfs/dbraw/zinc/19/29/57/996192957.db2.gz LDALOYXBEIDNPK-GFCCVEGCSA-N -1 0 330.359 3.678 20 0 EHADRM C[C@@H](c1ccccc1)N(C)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001593705741 996193031 /nfs/dbraw/zinc/19/30/31/996193031.db2.gz LDALOYXBEIDNPK-LBPRGKRZSA-N -1 0 330.359 3.678 20 0 EHADRM C[C@H](c1ccccc1)c1ccc(OC(=O)c2cc(C(=O)[O-])on2)cc1 ZINC001593714060 996227771 /nfs/dbraw/zinc/22/77/71/996227771.db2.gz RSFMZTKATUZSKW-GFCCVEGCSA-N -1 0 337.331 3.744 20 0 EHADRM C[C@H](c1ccccc1F)N(C)Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001593717774 996236904 /nfs/dbraw/zinc/23/69/04/996236904.db2.gz RVJUHUUBHFOOPJ-LLVKDONJSA-N -1 0 327.359 3.593 20 0 EHADRM C[C@@H](c1nc(C(=O)[O-])co1)N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC001593724800 996269755 /nfs/dbraw/zinc/26/97/55/996269755.db2.gz JFGOGPFBQKQQNG-NSHDSACASA-N -1 0 348.349 3.891 20 0 EHADRM C[C@@H](c1ncc(C(=O)[O-])s1)N1C[C@H]2CCCCN2c2ccccc21 ZINC001593731960 996306078 /nfs/dbraw/zinc/30/60/78/996306078.db2.gz LDFZGLBULGHRCJ-QWHCGFSZSA-N -1 0 343.452 3.781 20 0 EHADRM C[C@@H](c1ncc(C(=O)[O-])s1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC001593736515 996326558 /nfs/dbraw/zinc/32/65/58/996326558.db2.gz BGHKPYIJXVCPMM-VIFPVBQESA-N -1 0 345.399 3.581 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)/C=C\c2ccc(F)c3ccccc23)C1 ZINC001593766855 996448804 /nfs/dbraw/zinc/44/88/04/996448804.db2.gz ZOPIKWCSBQHUNO-CIGMURNLSA-N -1 0 341.382 3.705 20 0 EHADRM COC(=O)C[C@@H]1CC[C@@H](Nc2ccc3sc(C(=O)[O-])cc3c2)[C@H]1C ZINC001598846841 996572830 /nfs/dbraw/zinc/57/28/30/996572830.db2.gz JLSUVDZBBLEZIN-COPLHBTASA-N -1 0 347.436 3.989 20 0 EHADRM COC(=O)C[C@@H]1CC[C@@H](Nc2ccc3sc(C(=O)[O-])cc3c2)[C@@H]1C ZINC001598846844 996572834 /nfs/dbraw/zinc/57/28/34/996572834.db2.gz JLSUVDZBBLEZIN-UHIISALHSA-N -1 0 347.436 3.989 20 0 EHADRM CC1(C)CC(CC(=O)Nc2cccc(C(=O)[O-])c2Br)C1 ZINC001593849416 996625479 /nfs/dbraw/zinc/62/54/79/996625479.db2.gz PYPKBWDFOIWMIY-UHFFFAOYSA-N -1 0 340.217 3.912 20 0 EHADRM CC1(C)CC(CNC(=O)c2ccsc2CC(=O)[O-])CC(C)(C)C1 ZINC001593853788 996633491 /nfs/dbraw/zinc/63/34/91/996633491.db2.gz PKLLFOFNPVJHBP-UHFFFAOYSA-N -1 0 337.485 3.958 20 0 EHADRM CC1(C)C[C@]1(C)NC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001593864855 996669758 /nfs/dbraw/zinc/66/97/58/996669758.db2.gz JSTOMCNSQZAPPX-KRWDZBQOSA-N -1 0 336.457 3.705 20 0 EHADRM CC1(C)CC[C@H](C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)C1 ZINC001593871077 996683111 /nfs/dbraw/zinc/68/31/11/996683111.db2.gz MRWOFVYVRWYXGN-CWRNSKLLSA-N -1 0 349.858 3.793 20 0 EHADRM CC1(C)CCC(=CC(=O)N(CCc2ccccc2)CC(=O)[O-])CC1 ZINC001593871486 996684064 /nfs/dbraw/zinc/68/40/64/996684064.db2.gz VYHBUOGKYUAZAL-UHFFFAOYSA-N -1 0 329.440 3.669 20 0 EHADRM CC1(C)CCC(S[C@H](CNC(=O)c2ccccc2)C(=O)[O-])CC1 ZINC001593883589 996717003 /nfs/dbraw/zinc/71/70/03/996717003.db2.gz MGWRXMDYYISZJR-OAHLLOKOSA-N -1 0 335.469 3.572 20 0 EHADRM CC1(C)CC[C@H]2C[C@H](NC(=O)c3c[nH]c(C(=O)[O-])c3)c3cccc1c32 ZINC001593886128 996723681 /nfs/dbraw/zinc/72/36/81/996723681.db2.gz QHXVNLKVUCHOFV-NHYWBVRUSA-N -1 0 338.407 3.743 20 0 EHADRM CC1(C)CCC[C@@](NC(=O)OCc2ccc(Cl)cc2)(C(=O)[O-])C1 ZINC001593892830 996743226 /nfs/dbraw/zinc/74/32/26/996743226.db2.gz SWUMFDRAHUXDER-KRWDZBQOSA-N -1 0 339.819 3.990 20 0 EHADRM CC1(C)CCC[C@@H]1C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001593896805 996755357 /nfs/dbraw/zinc/75/53/57/996755357.db2.gz BUIRYWAWUQCSMY-CHWSQXEVSA-N -1 0 343.345 3.931 20 0 EHADRM CC1(C)CCC[C@H]1[C@H]1CCN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)C1 ZINC001593899090 996762431 /nfs/dbraw/zinc/76/24/31/996762431.db2.gz ZZFUJRXYIMZARS-GJZGRUSLSA-N -1 0 333.472 3.696 20 0 EHADRM CC1(C)CCc2cc(CN[C@@H](C(=O)[O-])c3cccs3)ccc2O1 ZINC001593915892 996814385 /nfs/dbraw/zinc/81/43/85/996814385.db2.gz IGOCCHOVAFMZIW-MRXNPFEDSA-N -1 0 331.437 3.767 20 0 EHADRM COc1ccc(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])cc1C ZINC001599487178 996871350 /nfs/dbraw/zinc/87/13/50/996871350.db2.gz AAEFJWVDFRCIMZ-UHFFFAOYSA-N -1 0 331.393 3.893 20 0 EHADRM CC1(C)CCN(C(=O)c2nn(-c3ccccc3)cc2[O-])c2ccccc21 ZINC000584323475 1032137920 /nfs/dbraw/zinc/13/79/20/1032137920.db2.gz QUUDNQGPTOPCPM-UHFFFAOYSA-N -1 0 347.418 3.906 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)N([C@@H](C)c2ccco2)C2CC2)c1 ZINC001599488898 996902658 /nfs/dbraw/zinc/90/26/58/996902658.db2.gz CHLDGWUGRYEGDM-NSHDSACASA-N -1 0 344.367 3.744 20 0 EHADRM COC(=O)Nc1ccc(NCc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC001598887510 996926612 /nfs/dbraw/zinc/92/66/12/996926612.db2.gz FNGFQWOFRIQTCH-UHFFFAOYSA-N -1 0 334.759 3.829 20 0 EHADRM COC(=O)Nc1cccc(NCc2ccc(C(=O)[O-])c(C)c2)c1C ZINC001598887674 996930740 /nfs/dbraw/zinc/93/07/40/996930740.db2.gz CJRHYQCJBDXKRB-UHFFFAOYSA-N -1 0 328.368 3.792 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2ccc(C)c(Cl)c2)c1F ZINC001599490840 996936232 /nfs/dbraw/zinc/93/62/32/996936232.db2.gz YQZSQXMGQRQVHQ-UHFFFAOYSA-N -1 0 337.734 3.747 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)Cc2cccc3ccccc32)c1 ZINC001599491244 996943477 /nfs/dbraw/zinc/94/34/77/996943477.db2.gz LEXYDCLXIJCIEY-UHFFFAOYSA-N -1 0 336.343 3.695 20 0 EHADRM COc1ccc(C(=O)[O-])c(OCc2csc(-c3ccc(C)o3)n2)c1 ZINC001599492018 996956823 /nfs/dbraw/zinc/95/68/23/996956823.db2.gz HOBYSPKYUBGMPF-UHFFFAOYSA-N -1 0 345.376 3.997 20 0 EHADRM COc1cc(C)c(C)cc1NC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001599391108 997037463 /nfs/dbraw/zinc/03/74/63/997037463.db2.gz YWLUZYGKVUZVBH-UHFFFAOYSA-N -1 0 346.383 3.576 20 0 EHADRM COCc1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)[O-])cc1F ZINC001599290337 997053837 /nfs/dbraw/zinc/05/38/37/997053837.db2.gz RREXBFBCEGGOGZ-UHFFFAOYSA-N -1 0 337.372 3.601 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)CC[C@@H]2CC(C)(C)CO2)c1 ZINC001593955475 997057300 /nfs/dbraw/zinc/05/73/00/997057300.db2.gz XENAGKLYIWPJIK-OAHLLOKOSA-N -1 0 334.412 3.550 20 0 EHADRM COc1cc(C)ccc1NC(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001599393418 997080095 /nfs/dbraw/zinc/08/00/95/997080095.db2.gz LOYQHNOGALQJGX-UHFFFAOYSA-N -1 0 334.416 3.550 20 0 EHADRM COc1cc(C)c(N[C@H](C)c2ccccc2OCC(=O)[O-])cc1C ZINC001599393834 997087180 /nfs/dbraw/zinc/08/71/80/997087180.db2.gz QFESIWACCHMEJE-CQSZACIVSA-N -1 0 329.396 3.949 20 0 EHADRM CC1(C)Cc2cc(NC(=O)NCCCCCCC(=O)[O-])ccc2O1 ZINC001593964151 997093735 /nfs/dbraw/zinc/09/37/35/997093735.db2.gz BXPZPOKUNRVAEE-UHFFFAOYSA-N -1 0 334.416 3.557 20 0 EHADRM COCc1ccc(CNC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC001599293911 997105424 /nfs/dbraw/zinc/10/54/24/997105424.db2.gz MWZUVLASHMWUNW-UHFFFAOYSA-N -1 0 348.786 3.506 20 0 EHADRM COc1cc(C2(C(=O)OC3CCC(C(=O)[O-])CC3)CCC2)ccc1C ZINC001599395530 997119477 /nfs/dbraw/zinc/11/94/77/997119477.db2.gz MEADCUGGCXWKRX-UHFFFAOYSA-N -1 0 346.423 3.612 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001599395876 997125821 /nfs/dbraw/zinc/12/58/21/997125821.db2.gz BZEUOANUYWUINT-HZRUHFOJSA-N -1 0 330.380 3.669 20 0 EHADRM COCc1ccccc1COC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001599296451 997151638 /nfs/dbraw/zinc/15/16/38/997151638.db2.gz QKCMKZVUMWOBQN-UHFFFAOYSA-N -1 0 334.755 3.542 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1Oc1nc2ccccc2nc1F ZINC001599399942 997197193 /nfs/dbraw/zinc/19/71/93/997197193.db2.gz LFSQEYOIXGAHOC-VQHVLOKHSA-N -1 0 340.310 3.668 20 0 EHADRM COc1ccc(C(C)(C)CNc2ncc(C(=O)[O-])cc2Cl)cc1 ZINC001599506073 997212313 /nfs/dbraw/zinc/21/23/13/997212313.db2.gz GCMFBSMKCFRDAJ-UHFFFAOYSA-N -1 0 334.803 3.832 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001599401680 997224674 /nfs/dbraw/zinc/22/46/74/997224674.db2.gz ZODYDYBSAWVVPF-RQFGCTGCSA-N -1 0 344.407 3.915 20 0 EHADRM COCC1(NC(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)CCCC1 ZINC001599200124 997289915 /nfs/dbraw/zinc/28/99/15/997289915.db2.gz ILBBJKLOKRNSFO-UHFFFAOYSA-N -1 0 342.395 3.619 20 0 EHADRM C[C@]1(CC(=O)Nc2ccc(CCC(=O)[O-])cc2)CC1(Cl)Cl ZINC001593997604 997316219 /nfs/dbraw/zinc/31/62/19/997316219.db2.gz BTFBHJVDQPCULR-AWEZNQCLSA-N -1 0 330.211 3.616 20 0 EHADRM C[C@@]1(CC(=O)Nc2ccc(CCC(=O)[O-])cc2)CC1(Cl)Cl ZINC001593997606 997316556 /nfs/dbraw/zinc/31/65/56/997316556.db2.gz BTFBHJVDQPCULR-CQSZACIVSA-N -1 0 330.211 3.616 20 0 EHADRM CON(C(=O)CCCCc1ccc(C(C)(C)C)cc1)[C@H](C)CC(=O)[O-] ZINC001599308592 997371196 /nfs/dbraw/zinc/37/11/96/997371196.db2.gz BUIXTKLWTCZZSA-OAHLLOKOSA-N -1 0 349.471 3.950 20 0 EHADRM COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])c1 ZINC001599420666 997588679 /nfs/dbraw/zinc/58/86/79/997588679.db2.gz OERMOCIZYGWYIA-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM COc1cc(Cl)ccc1CN1CCc2ccc(C(=O)[O-])cc2C1 ZINC001599420768 997590515 /nfs/dbraw/zinc/59/05/15/997590515.db2.gz JBVFOHNWBLDOPI-UHFFFAOYSA-N -1 0 331.799 3.605 20 0 EHADRM C[C@@]1(COC(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC1(Cl)Cl ZINC001594030907 997601314 /nfs/dbraw/zinc/60/13/14/997601314.db2.gz SBCMGLZDRXDRJS-HSBZDZAISA-N -1 0 335.227 3.539 20 0 EHADRM COc1cc(F)c(C(=O)Nc2ccc(C(=O)[O-])cc2C)c(Cl)c1 ZINC001599421656 997605336 /nfs/dbraw/zinc/60/53/36/997605336.db2.gz CBQLWRLQEBOKFD-UHFFFAOYSA-N -1 0 337.734 3.747 20 0 EHADRM C[C@]1(CNc2nc(Cl)c(C(=O)[O-])s2)CCOC2(CCC2)C1 ZINC001594031696 997608685 /nfs/dbraw/zinc/60/86/85/997608685.db2.gz DCIGOWIFWDOGPW-ZDUSSCGKSA-N -1 0 330.837 3.646 20 0 EHADRM CO[C@H]1CCC[C@@H]1CNC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001599116099 997655271 /nfs/dbraw/zinc/65/52/71/997655271.db2.gz XVFQXWFSKGRKKH-YPMHNXCESA-N -1 0 348.424 3.536 20 0 EHADRM C[C@@]1(Cc2cccc3ccccc32)CCCN1c1nccc(C(=O)[O-])n1 ZINC001594041556 997663538 /nfs/dbraw/zinc/66/35/38/997663538.db2.gz NHXDCSCBBIWWAK-NRFANRHFSA-N -1 0 347.418 3.930 20 0 EHADRM C[C@@]1(Cc2noc(-c3ccc(/C=C\C(=O)[O-])o3)n2)CC1(Cl)Cl ZINC001594043440 997678253 /nfs/dbraw/zinc/67/82/53/997678253.db2.gz LTRBMTJGQCKPAP-HSBHDXMMSA-N -1 0 343.166 3.554 20 0 EHADRM C[C@]1(Cc2ccccc2F)CCC[N@@H+]1Cc1nc(C(=O)[O-])cs1 ZINC001594043610 997679468 /nfs/dbraw/zinc/67/94/68/997679468.db2.gz NQZKZHAXEKPJTO-QGZVFWFLSA-N -1 0 334.416 3.578 20 0 EHADRM CO[C@H]1CCN(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])CC1(C)C ZINC001599117500 997680452 /nfs/dbraw/zinc/68/04/52/997680452.db2.gz HXOMDMDARZFHOW-INIZCTEOSA-N -1 0 348.443 3.787 20 0 EHADRM C[C@]1(NC(=O)C[C@@H]2CCC[C@H](C(F)(F)F)C2)CCCC[C@H]1C(=O)[O-] ZINC001594053763 997775938 /nfs/dbraw/zinc/77/59/38/997775938.db2.gz XXQHWJZSMHJRAL-DVZHBHJUSA-N -1 0 349.393 3.895 20 0 EHADRM COc1c(Cl)cccc1-c1noc([C@H]2CCC[C@@H](C(=O)[O-])C2)n1 ZINC001599334328 997807052 /nfs/dbraw/zinc/80/70/52/997807052.db2.gz MLPWYLDLKYCRHR-VHSXEESVSA-N -1 0 336.775 3.757 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccnn2[C@H](C)CC(C)C)s1 ZINC000340040668 1016157910 /nfs/dbraw/zinc/15/79/10/1016157910.db2.gz FEZAXRHOAZMVRU-LLVKDONJSA-N -1 0 327.475 3.661 20 0 EHADRM COc1c(NC(=O)/C=C\c2ccc(Cl)s2)cccc1C(=O)[O-] ZINC001599336979 997854699 /nfs/dbraw/zinc/85/46/99/997854699.db2.gz BSEJJIUGUFYFGC-VURMDHGXSA-N -1 0 337.784 3.760 20 0 EHADRM COc1c(NC(=O)N(C)C[C@H](C)c2ccccc2)cccc1C(=O)[O-] ZINC001599338785 997885393 /nfs/dbraw/zinc/88/53/93/997885393.db2.gz VAAMCVGTOZVUSH-ZDUSSCGKSA-N -1 0 342.395 3.661 20 0 EHADRM CC1(c2cc(NC(=O)N[C@@H](CC(=O)[O-])C3CCCC3)no2)CCCC1 ZINC001594069506 997900158 /nfs/dbraw/zinc/90/01/58/997900158.db2.gz CXUPGJJGXNBLFT-ZDUSSCGKSA-N -1 0 349.431 3.661 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1ccccc1SC ZINC001599544661 997903795 /nfs/dbraw/zinc/90/37/95/997903795.db2.gz IGBTXZKAIREYNZ-CSKARUKUSA-N -1 0 344.388 3.734 20 0 EHADRM COc1c(NC(=O)N2CCc3ccsc3[C@@H]2C)cccc1C(=O)[O-] ZINC001599339998 997906052 /nfs/dbraw/zinc/90/60/52/997906052.db2.gz FJMXTVUWVHQKMB-JTQLQIEISA-N -1 0 346.408 3.606 20 0 EHADRM COC(=O)c1cc(NC(=O)CCCCC(C)(C)C)ccc1C(=O)[O-] ZINC001598938369 997913985 /nfs/dbraw/zinc/91/39/85/997913985.db2.gz WUGACWVMMILNJF-UHFFFAOYSA-N -1 0 335.400 3.716 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OCc1cnc(Cl)c(F)c1 ZINC001599546353 997929541 /nfs/dbraw/zinc/92/95/41/997929541.db2.gz NAURVVVLWYOXIG-HYXAFXHYSA-N -1 0 337.734 3.560 20 0 EHADRM COc1cc(NC(=O)c2cc(C(F)F)ccc2F)ccc1C(=O)[O-] ZINC001599441564 997937264 /nfs/dbraw/zinc/93/72/64/997937264.db2.gz PNCNDPOECMQTFU-UHFFFAOYSA-N -1 0 339.269 3.722 20 0 EHADRM COc1cc(NC(=O)c2cccc(C(C)C)c2)c(C(=O)[O-])cc1OC ZINC001599441967 997944411 /nfs/dbraw/zinc/94/44/11/997944411.db2.gz SRCVWNGSLOSVHB-UHFFFAOYSA-N -1 0 343.379 3.778 20 0 EHADRM COc1cc(N[C@H](C)c2ncc(C(=O)[O-])s2)cc(Cl)c1OC ZINC001599442489 997953142 /nfs/dbraw/zinc/95/31/42/997953142.db2.gz CWPPYSPSEGGZPF-SSDOTTSWSA-N -1 0 342.804 3.685 20 0 EHADRM CC1(c2ccccc2)CN(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC001594078889 997956087 /nfs/dbraw/zinc/95/60/87/997956087.db2.gz AZOFGSOTDMLSHX-UHFFFAOYSA-N -1 0 344.798 3.844 20 0 EHADRM C[C@]1(c2ccccc2)CCCN(C(=O)c2cc(F)cc(C(=O)[O-])c2)C1 ZINC001594079391 997966907 /nfs/dbraw/zinc/96/69/07/997966907.db2.gz DBVBQYSINBASPC-FQEVSTJZSA-N -1 0 341.382 3.718 20 0 EHADRM CC1(c2ccccc2)CCN(C(=O)CC2(CC(=O)[O-])CCCC2)CC1 ZINC001594079645 997971254 /nfs/dbraw/zinc/97/12/54/997971254.db2.gz LOGOQBFESCQBMI-UHFFFAOYSA-N -1 0 343.467 3.992 20 0 EHADRM COc1cc(N[C@@H](C)c2ncc(C(=O)[O-])s2)cc(OC)c1Cl ZINC001599443623 997971323 /nfs/dbraw/zinc/97/13/23/997971323.db2.gz VRTBTZVACNHPFD-ZETCQYMHSA-N -1 0 342.804 3.685 20 0 EHADRM COc1c(Nc2cccc(C3CCCCC3)c2)ncnc1C(=O)[O-] ZINC001599345165 997991140 /nfs/dbraw/zinc/99/11/40/997991140.db2.gz RILNWMOUGITQPO-UHFFFAOYSA-N -1 0 327.384 3.975 20 0 EHADRM COc1ccc(C[C@@H](C)C(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001599550183 997992647 /nfs/dbraw/zinc/99/26/47/997992647.db2.gz JWBOGQWOKWQJTH-LLVKDONJSA-N -1 0 348.782 3.831 20 0 EHADRM COc1cc(OC(=O)c2ccc(C(F)(F)F)cc2)ccc1C(=O)[O-] ZINC001599448230 998045296 /nfs/dbraw/zinc/04/52/96/998045296.db2.gz UBBJIWSLYVNLDI-UHFFFAOYSA-N -1 0 340.253 3.631 20 0 EHADRM COC(=O)c1cc(OCC[C@@H]2CCc3ccccc32)cc(C(=O)[O-])c1 ZINC001598949445 998120761 /nfs/dbraw/zinc/12/07/61/998120761.db2.gz HTTHZPFUKLDVPQ-AWEZNQCLSA-N -1 0 340.375 3.670 20 0 EHADRM COc1ccc(CN(C)C(=O)Nc2cc(C(=O)[O-])ccc2C)cc1F ZINC001599557666 998122662 /nfs/dbraw/zinc/12/26/62/998122662.db2.gz LJASDWKXJYQNMW-UHFFFAOYSA-N -1 0 346.358 3.505 20 0 EHADRM COC(=O)c1cc(OCc2ccc(C(C)C)nc2C)cc(C(=O)[O-])c1 ZINC001598951855 998169125 /nfs/dbraw/zinc/16/91/25/998169125.db2.gz NDNXWCUYXJGVIZ-UHFFFAOYSA-N -1 0 343.379 3.577 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)c1O ZINC001599358688 998222855 /nfs/dbraw/zinc/22/28/55/998222855.db2.gz BGIKVSCTRCQDHQ-NEPJUHHUSA-N -1 0 349.427 3.890 20 0 EHADRM COc1cc(C(=O)[O-])cc(N[C@@H](C)CSC(C)(C)C)c1OC ZINC001599361898 998274699 /nfs/dbraw/zinc/27/46/99/998274699.db2.gz FFQBEHAMEHSPBA-JTQLQIEISA-N -1 0 327.446 3.734 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC001594136150 998376193 /nfs/dbraw/zinc/37/61/93/998376193.db2.gz MPQNDIVCHYEZLA-DMBMUNPASA-N -1 0 341.382 3.507 20 0 EHADRM COc1cc2ccccc2cc1CN[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001599466869 998377702 /nfs/dbraw/zinc/37/77/02/998377702.db2.gz VTWUZRQWHQWXGB-LLVKDONJSA-N -1 0 342.420 3.854 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001594137895 998397834 /nfs/dbraw/zinc/39/78/34/998397834.db2.gz YVLMLXFHRQACBU-IGNZVWTISA-N -1 0 346.386 3.921 20 0 EHADRM C[C@@H]1[C@@H](C(=O)N(CCC(=O)[O-])c2cccc(F)c2)[C@H]1c1ccccc1 ZINC001594138027 998398349 /nfs/dbraw/zinc/39/83/49/998398349.db2.gz ZTJVZBZBPGTFPX-MJXNMMHHSA-N -1 0 341.382 3.683 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)C1(c2ccc(F)cc2)CCC1 ZINC001599371176 998412338 /nfs/dbraw/zinc/41/23/38/998412338.db2.gz PLAINCQIJWNFFZ-UHFFFAOYSA-N -1 0 343.354 3.593 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N1CCc2ccsc2[C@H]1C ZINC001599372650 998436029 /nfs/dbraw/zinc/43/60/29/998436029.db2.gz NYJHWVYFEDRPMY-SNVBAGLBSA-N -1 0 346.408 3.606 20 0 EHADRM COC(=O)c1ccc(CNc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1C ZINC001598975533 998596472 /nfs/dbraw/zinc/59/64/72/998596472.db2.gz LFTJKSDEZYNNRW-AWEZNQCLSA-N -1 0 341.407 3.657 20 0 EHADRM COC(=O)c1ccc(NC(=O)CCCCC(C)(C)C)cc1C(=O)[O-] ZINC001598979270 998639624 /nfs/dbraw/zinc/63/96/24/998639624.db2.gz YQDHMSAJMUNZMD-UHFFFAOYSA-N -1 0 335.400 3.716 20 0 EHADRM O=C(c1cc(Cl)cc(Br)c1[O-])N1C[C@H]2CCC[C@@H]2C1 ZINC000155165155 1016237536 /nfs/dbraw/zinc/23/75/36/1016237536.db2.gz UKVSDXHYTFLQGH-RKDXNWHRSA-N -1 0 344.636 3.680 20 0 EHADRM COC(=O)c1cccc([C@H](Nc2ccc(F)c(Cl)c2)C(=O)[O-])c1 ZINC001598996132 998781401 /nfs/dbraw/zinc/78/14/01/998781401.db2.gz OROSCSXBAMPUGJ-AWEZNQCLSA-N -1 0 337.734 3.504 20 0 EHADRM C[C@@H]1CC(C)(C)c2cccc(NC(=O)N[C@H]3C[C@@H]4C[C@]4(C(=O)[O-])C3)c21 ZINC001594216333 998831942 /nfs/dbraw/zinc/83/19/42/998831942.db2.gz FAIFUQNPEDRCRO-ZUWLOFHESA-N -1 0 342.439 3.846 20 0 EHADRM C[C@H]1CC(C(=O)N2CCCC[C@@H]2c2ccc(C(=O)[O-])n2C)C[C@H](C)C1 ZINC001594220161 998846682 /nfs/dbraw/zinc/84/66/82/998846682.db2.gz XBXWCMRUANBYLX-CKEIUWERSA-N -1 0 346.471 3.849 20 0 EHADRM C[C@H]1C[C@H](C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C[C@@H](C)C1 ZINC001594223105 998859599 /nfs/dbraw/zinc/85/95/99/998859599.db2.gz MUHOZQKPFWDKAK-FOLVSLTJSA-N -1 0 344.455 3.996 20 0 EHADRM Cc1cccc([C@H](NC(=O)CC(C)(C)CC(=O)[O-])C(F)(F)F)c1 ZINC000683337725 1016256039 /nfs/dbraw/zinc/25/60/39/1016256039.db2.gz OSAXNMDIQIOKKE-AWEZNQCLSA-N -1 0 331.334 3.606 20 0 EHADRM C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@@](C)(C(=O)[O-])C2)CC(C)(C)C1 ZINC001594232486 998885705 /nfs/dbraw/zinc/88/57/05/998885705.db2.gz KXRDFSHUZLIOTO-ZRGWGRIASA-N -1 0 338.492 3.735 20 0 EHADRM C[C@@H]1C[C@@H](CCNC(=O)Nc2cc(C(=O)[O-])ccn2)CC(C)(C)C1 ZINC001594233410 998889780 /nfs/dbraw/zinc/88/97/80/998889780.db2.gz VUSDEUIBZTVNEK-CHWSQXEVSA-N -1 0 333.432 3.754 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)C=C(C)c1cccc(C(F)(F)F)c1 ZINC000089285414 1016274134 /nfs/dbraw/zinc/27/41/34/1016274134.db2.gz WYGIILJVOIKDMC-NTMALXAHSA-N -1 0 333.331 3.581 20 0 EHADRM C[C@H]1C[C@H](NC(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)CCS1 ZINC001594258467 998995915 /nfs/dbraw/zinc/99/59/15/998995915.db2.gz UNGJCEYCZFFEIC-JGVFFNPUSA-N -1 0 346.811 3.583 20 0 EHADRM CO[C@H](C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)C1CCCCC1 ZINC001599027748 999028318 /nfs/dbraw/zinc/02/83/18/999028318.db2.gz VMJSYXLVTITFML-AWEZNQCLSA-N -1 0 325.792 3.572 20 0 EHADRM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccsc1CC(=O)[O-] ZINC001594266044 999031507 /nfs/dbraw/zinc/03/15/07/999031507.db2.gz LNPHBWHXBRSQHX-YPMHNXCESA-N -1 0 347.411 3.533 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)N(C(=O)/C=C/c2cc(C(=O)[O-])co2)C1 ZINC001594269195 999040630 /nfs/dbraw/zinc/04/06/30/999040630.db2.gz GSNYVIAYYRPTAA-CDRJOZRASA-N -1 0 325.364 3.601 20 0 EHADRM C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)NCCCCCCCC(=O)[O-])C1 ZINC001594270113 999043968 /nfs/dbraw/zinc/04/39/68/999043968.db2.gz QIJNUTFIYKASGT-WBVHZDCISA-N -1 0 347.459 3.599 20 0 EHADRM CO[C@H](C)C(=O)Nc1cccc(N[C@@H](C)c2cc(C(=O)[O-])cs2)c1 ZINC001599035716 999081718 /nfs/dbraw/zinc/08/17/18/999081718.db2.gz GVOXBPLCFXORAG-WDEREUQCSA-N -1 0 348.424 3.593 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)NCCCCC2(C(=O)[O-])CCC2)o1 ZINC001594279821 999085652 /nfs/dbraw/zinc/08/56/52/999085652.db2.gz LKVFXMGGTHGCSN-HIFRSBDPSA-N -1 0 348.443 3.627 20 0 EHADRM C[C@H]1CC=C(C(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)CC1 ZINC001594290752 999119414 /nfs/dbraw/zinc/11/94/14/999119414.db2.gz DSPMPENTMNPRLL-LBPRGKRZSA-N -1 0 337.366 3.515 20 0 EHADRM C[C@@H]1CC=C(C(=O)NCc2c3ccccc3sc2C(=O)[O-])CC1 ZINC001594291154 999122043 /nfs/dbraw/zinc/12/20/43/999122043.db2.gz QZGKIEWQJIGIOH-LLVKDONJSA-N -1 0 329.421 3.962 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1CNC(=O)N1CCC(CC(=O)[O-])CC1 ZINC001594296551 999142702 /nfs/dbraw/zinc/14/27/02/999142702.db2.gz OAEJGDITBNHSDA-PVAVHDDUSA-N -1 0 338.492 3.591 20 0 EHADRM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001594297966 999149774 /nfs/dbraw/zinc/14/97/74/999149774.db2.gz CZVVMFKMHWHCDL-RBAVJSINSA-N -1 0 347.377 3.601 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N(CC(=O)[O-])c1ccccc1 ZINC001594299121 999154363 /nfs/dbraw/zinc/15/43/63/999154363.db2.gz SFTMDNPPACAPGJ-KBAYOESNSA-N -1 0 347.455 3.582 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1CNC(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001594299340 999155677 /nfs/dbraw/zinc/15/56/77/999155677.db2.gz YCJBMTQVCJJBJO-FMKPAKJESA-N -1 0 347.459 3.539 20 0 EHADRM C[C@@H]1CC[C@H](C)N(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)C1 ZINC001594299969 999158793 /nfs/dbraw/zinc/15/87/93/999158793.db2.gz LMPIMVRLQZUPBU-BDAKNGLRSA-N -1 0 328.771 3.830 20 0 EHADRM CO[C@@H](CNC(=O)Nc1c(C)sc(C)c1C(=O)[O-])c1ccccc1 ZINC001599050074 999181484 /nfs/dbraw/zinc/18/14/84/999181484.db2.gz RAUBTLVWHUTHER-ZDUSSCGKSA-N -1 0 348.424 3.572 20 0 EHADRM C[C@@H]1CC[C@@H](NC(=O)Nc2cc(C(=O)[O-])cc3cccnc32)C[C@@H]1C ZINC001594315403 999221607 /nfs/dbraw/zinc/22/16/07/999221607.db2.gz XEOFMHBNFCVNCQ-TYNCELHUSA-N -1 0 341.411 3.879 20 0 EHADRM CO[C@@H](COc1cnc(Cl)cc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001599055001 999223140 /nfs/dbraw/zinc/22/31/40/999223140.db2.gz BLTPERUTJWQEOG-ZDUSSCGKSA-N -1 0 342.178 3.853 20 0 EHADRM CO[C@@H](CSc1nc(C(F)(F)F)ccc1C(=O)[O-])CC(C)C ZINC001599056511 999233883 /nfs/dbraw/zinc/23/38/83/999233883.db2.gz BTVGDHKJUZSFJY-SECBINFHSA-N -1 0 337.363 3.952 20 0 EHADRM C[C@H]1CC[C@](NCc2cnc(Cl)s2)(C(=O)[O-])c2ccccc21 ZINC001594321699 999237433 /nfs/dbraw/zinc/23/74/33/999237433.db2.gz VJQUVOBNSXRGKJ-MGPLVRAMSA-N -1 0 336.844 3.764 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)c2cc3ccccn3c2)(C(=O)[O-])c2ccccc21 ZINC001594323808 999247946 /nfs/dbraw/zinc/24/79/46/999247946.db2.gz UPSKJHRLCWZEIL-QKKBWIMNSA-N -1 0 348.402 3.547 20 0 EHADRM C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)Nc2ccc(C(=O)[O-])nc2)C1 ZINC001594330527 999270841 /nfs/dbraw/zinc/27/08/41/999270841.db2.gz UAEFKKAPBABTAH-CXAGYDPISA-N -1 0 339.395 3.785 20 0 EHADRM C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)c2ccoc2CC(=O)[O-])C1 ZINC001594330718 999271607 /nfs/dbraw/zinc/27/16/07/999271607.db2.gz XDZGBOVYQFELFY-CZUORRHYSA-N -1 0 327.380 3.520 20 0 EHADRM C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)c2ccoc2CC(=O)[O-])C1 ZINC001594330717 999271726 /nfs/dbraw/zinc/27/17/26/999271726.db2.gz XDZGBOVYQFELFY-CJNGLKHVSA-N -1 0 327.380 3.520 20 0 EHADRM C[C@@H]1CCC[C@@H](NC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CC1 ZINC001594353005 999337597 /nfs/dbraw/zinc/33/75/97/999337597.db2.gz YVQXKQYZDOBLPJ-QIJZBDPFSA-N -1 0 330.428 3.965 20 0 EHADRM C[C@@H]1CCC[C@@H](OCCCCCC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001594356552 999347195 /nfs/dbraw/zinc/34/71/95/999347195.db2.gz XDHNMHPICKJNLX-WCXIOVBPSA-N -1 0 339.476 3.512 20 0 EHADRM C[C@H](NC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)[C@@H]1CCC[C@@H](C)C1 ZINC001594356774 999348542 /nfs/dbraw/zinc/34/85/42/999348542.db2.gz ZVQGOQRXLWOCEE-BASYENTBSA-N -1 0 344.455 3.595 20 0 EHADRM C[C@H]1CCC[C@H]1CC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC001594356967 999349613 /nfs/dbraw/zinc/34/96/13/999349613.db2.gz HABGFNBNGUUAFJ-STQMWFEESA-N -1 0 340.423 3.577 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CC(=O)N1CCCC[C@H]1c1ccc(C(=O)[O-])n1C ZINC001594364069 999375303 /nfs/dbraw/zinc/37/53/03/999375303.db2.gz SJMSQSFBBQEMKX-INMHGKMJSA-N -1 0 346.471 3.993 20 0 EHADRM C[C@@H]1CCCC[C@H]1CC(=O)N1CCCC[C@@H]1c1ccc(C(=O)[O-])n1C ZINC001594364068 999375393 /nfs/dbraw/zinc/37/53/93/999375393.db2.gz SJMSQSFBBQEMKX-HLLBOEOZSA-N -1 0 346.471 3.993 20 0 EHADRM C[C@@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)CC1 ZINC001594378712 999427745 /nfs/dbraw/zinc/42/77/45/999427745.db2.gz QTQSSIQLZBRSGT-CQSZACIVSA-N -1 0 345.443 3.639 20 0 EHADRM C[C@@H]1CCCN1C(=O)CCSCc1cccc(C(=O)[O-])c1Cl ZINC001594388167 999469497 /nfs/dbraw/zinc/46/94/97/999469497.db2.gz GMLAJMJJGGOUNK-LLVKDONJSA-N -1 0 341.860 3.672 20 0 EHADRM C[C@H]1CCN(C(=O)C(c2ccccc2)c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001594394214 999485641 /nfs/dbraw/zinc/48/56/41/999485641.db2.gz HYPDXZPBUSGSCH-YJBOKZPZSA-N -1 0 337.419 3.530 20 0 EHADRM C[C@H]1CCN(C(=O)C2CCC(c3ccccc3)CC2)[C@@H](C(=O)[O-])C1 ZINC001594395584 999489945 /nfs/dbraw/zinc/48/99/45/999489945.db2.gz BFDPYMZVYZRSHT-IWCVFHTOSA-N -1 0 329.440 3.672 20 0 EHADRM C[C@H]1CCN(C(=O)CCc2ccc(Cl)c(Cl)c2)[C@@H](C(=O)[O-])C1 ZINC001594400395 999498994 /nfs/dbraw/zinc/49/89/94/999498994.db2.gz GLLDPQDBKXRUTB-IINYFYTJSA-N -1 0 344.238 3.638 20 0 EHADRM CC(C)c1cc(C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)[O-])c(O)c(C(C)C)c1 ZINC001594406647 999523381 /nfs/dbraw/zinc/52/33/81/999523381.db2.gz BKNMFGXTXFWSSU-CXAGYDPISA-N -1 0 347.455 3.964 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC001594409364 999529627 /nfs/dbraw/zinc/52/96/27/999529627.db2.gz FUBAPUYAAZOQEM-PXAZEXFGSA-N -1 0 327.355 3.747 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc3cccc(Cl)c3s2)[C@@H](C(=O)[O-])C1 ZINC001594409529 999529915 /nfs/dbraw/zinc/52/99/15/999529915.db2.gz HFMPNDQSXHLWAK-BXKDBHETSA-N -1 0 337.828 3.880 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)[C@H](C(=O)[O-])C1 ZINC001594410056 999530187 /nfs/dbraw/zinc/53/01/87/999530187.db2.gz JVRBRTYMJNRCCL-RISCZKNCSA-N -1 0 347.411 3.880 20 0 EHADRM C[C@H]1CN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)[C@H]1c1ccccc1 ZINC001594463520 999678360 /nfs/dbraw/zinc/67/83/60/999678360.db2.gz WOYWMDDBEZYGDX-WVBOZTAZSA-N -1 0 327.424 3.631 20 0 EHADRM CCCOc1cc(CNc2ccc(CC(=O)[O-])cc2)ccc1OC ZINC000076275057 1016348472 /nfs/dbraw/zinc/34/84/72/1016348472.db2.gz OBWLUKKTRNRBSG-UHFFFAOYSA-N -1 0 329.396 3.723 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000655571904 1016353944 /nfs/dbraw/zinc/35/39/44/1016353944.db2.gz OLDADWJULUMNRG-INIZCTEOSA-N -1 0 339.391 3.981 20 0 EHADRM C[C@H](NC(=O)CC/C=C\c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655575247 1016373611 /nfs/dbraw/zinc/37/36/11/1016373611.db2.gz HAPBAEKNSKWVAK-BRJFVLQFSA-N -1 0 329.440 3.732 20 0 EHADRM O=C(c1ccc2ccccc2c1O)N1CCC[C@@H]1[C@@H]1CCCCC1=O ZINC000177613784 1016397204 /nfs/dbraw/zinc/39/72/04/1016397204.db2.gz CGXAQTQUKJWDGW-FUHWJXTLSA-N -1 0 337.419 3.909 20 0 EHADRM C[C@@H](NC(=O)[C@@H](C)c1ccc(Cl)s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655579714 1016461144 /nfs/dbraw/zinc/46/11/44/1016461144.db2.gz XBHIYXZKGQYENY-ZRUFSTJUSA-N -1 0 343.876 3.757 20 0 EHADRM O=C([O-])/C=C/c1cnc(/C=C\c2cc(Cl)cc3c2OCC3)s1 ZINC000782890142 1016552753 /nfs/dbraw/zinc/55/27/53/1016552753.db2.gz SWUIVVQCGFFIRB-HSFFGMMNSA-N -1 0 333.796 4.000 20 0 EHADRM O=C([O-])c1cc(F)cc(Nc2ccc3nc(-c4ccccc4)nn3c2)c1 ZINC001209887693 1016640812 /nfs/dbraw/zinc/64/08/12/1016640812.db2.gz KFOBEQIHIASUCM-UHFFFAOYSA-N -1 0 348.337 3.977 20 0 EHADRM CC(C)(CNC(=O)N1CCC(CCC(=O)[O-])CC1)C1=CCCCC1 ZINC000659401092 1016652520 /nfs/dbraw/zinc/65/25/20/1016652520.db2.gz DNFVDQZNQPYPMV-UHFFFAOYSA-N -1 0 336.476 3.799 20 0 EHADRM CC[C@H](C)CCNC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000659414592 1016664473 /nfs/dbraw/zinc/66/44/73/1016664473.db2.gz WGJBIIJMIRHXIO-AWEZNQCLSA-N -1 0 332.444 3.710 20 0 EHADRM CC[C@@H](C)CCNC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000659414594 1016665299 /nfs/dbraw/zinc/66/52/99/1016665299.db2.gz WGJBIIJMIRHXIO-CQSZACIVSA-N -1 0 332.444 3.710 20 0 EHADRM Cc1cccc(C)c1[C@@H]1CCCN1C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000659411628 1016666734 /nfs/dbraw/zinc/66/67/34/1016666734.db2.gz OBVLRKAFJXXINF-HOTGVXAUSA-N -1 0 332.444 3.507 20 0 EHADRM CCOc1ncccc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000340235716 1016755041 /nfs/dbraw/zinc/75/50/41/1016755041.db2.gz KEXYNXCBTAQVQR-UHFFFAOYSA-N -1 0 347.223 3.588 20 0 EHADRM O=S(=O)([N-]c1cccc2cc[nH]c21)c1ccc2ncsc2c1 ZINC000547822416 1016873347 /nfs/dbraw/zinc/87/33/47/1016873347.db2.gz YBDLDHAODINNHF-UHFFFAOYSA-N -1 0 329.406 3.578 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H](CC(F)(F)F)c2ccccc2)s1 ZINC000340340427 1016975945 /nfs/dbraw/zinc/97/59/45/1016975945.db2.gz SHSCVQRYGIDVCF-SNVBAGLBSA-N -1 0 343.326 3.870 20 0 EHADRM CCC[C@H](C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655586324 1017017133 /nfs/dbraw/zinc/01/71/33/1017017133.db2.gz QTDHKWXNWOKTDO-BSWAZPDLSA-N -1 0 331.456 3.822 20 0 EHADRM Cc1ccc([C@H]2CCCCCN2C(=O)NCCCCCC(=O)[O-])o1 ZINC000414614121 1017035665 /nfs/dbraw/zinc/03/56/65/1017035665.db2.gz TUOUTYOKTCBVCB-OAHLLOKOSA-N -1 0 336.432 3.860 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000055150057 1017046290 /nfs/dbraw/zinc/04/62/90/1017046290.db2.gz GXUFHUYLUUXKOW-QEJZJMRPSA-N -1 0 327.380 3.585 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000414620892 1017068871 /nfs/dbraw/zinc/06/88/71/1017068871.db2.gz FNAYNTWDXZSCGL-OAHLLOKOSA-N -1 0 342.386 3.558 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-][C@H](C(C)(C)C)C(F)(F)F)cc1C ZINC000584343222 1032158588 /nfs/dbraw/zinc/15/85/88/1032158588.db2.gz DPMNURKOSBDXKQ-CYBMUJFWSA-N -1 0 337.407 3.700 20 0 EHADRM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cc(-c2cccnc2)on1 ZINC000183381108 1032165556 /nfs/dbraw/zinc/16/55/56/1032165556.db2.gz FKWLHNKNSRIXFE-UHFFFAOYSA-N -1 0 346.346 3.952 20 0 EHADRM C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)c2cc3c(cc2O)OCO3)C1 ZINC000436655947 1032173709 /nfs/dbraw/zinc/17/37/09/1032173709.db2.gz HEAAQRQASLWKFH-CZUORRHYSA-N -1 0 339.391 3.734 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCCc2c(Cl)cccc2Cl)s1 ZINC000238043748 1032190849 /nfs/dbraw/zinc/19/08/49/1032190849.db2.gz OFXWWNFSAZLFRA-UHFFFAOYSA-N -1 0 344.219 3.726 20 0 EHADRM COc1ccc(O)c(C(=O)Nc2cc(Cl)ccc2NC2CC2)c1 ZINC000536730435 1032200600 /nfs/dbraw/zinc/20/06/00/1032200600.db2.gz IMCRKICMQXUETK-UHFFFAOYSA-N -1 0 332.787 3.881 20 0 EHADRM Cc1ccc2c(c1)[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)CCC2 ZINC000183600028 1032208211 /nfs/dbraw/zinc/20/82/11/1032208211.db2.gz BLAUJCWTEJWCHO-CQSZACIVSA-N -1 0 335.325 3.925 20 0 EHADRM CC(C)n1cccc1C(=O)N=c1[n-]nc(-c2ccccc2Cl)s1 ZINC000485101510 1032305649 /nfs/dbraw/zinc/30/56/49/1032305649.db2.gz OKAFPMBWBQTJRW-UHFFFAOYSA-N -1 0 346.843 3.915 20 0 EHADRM CC(C)(CCNC(=O)c1ccc(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC000262956946 1032339727 /nfs/dbraw/zinc/33/97/27/1032339727.db2.gz IXYYLVZQXKQOHW-UHFFFAOYSA-N -1 0 335.400 3.785 20 0 EHADRM CC(C)(C)OCc1ccccc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000905131783 1032358549 /nfs/dbraw/zinc/35/85/49/1032358549.db2.gz VRVFNIOFALMWNJ-CABCVRRESA-N -1 0 333.428 3.831 20 0 EHADRM CC(C)(/C=C/Cl)NC(=O)[C@@H](CC(=O)[O-])c1c(F)cccc1Cl ZINC000905134642 1032359828 /nfs/dbraw/zinc/35/98/28/1032359828.db2.gz ASGCRBGGXYKLLG-UCUJLANTSA-N -1 0 348.201 3.685 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3C[C@H](C)C[C@@H]3C)n2)c1 ZINC000084404599 1032426484 /nfs/dbraw/zinc/42/64/84/1032426484.db2.gz CWANMHVNALGGSF-KGLIPLIRSA-N -1 0 327.428 3.572 20 0 EHADRM O=C([O-])CCCCCNC(=O)N1CCCCC[C@@H]1c1ccccc1 ZINC000414631336 1017091924 /nfs/dbraw/zinc/09/19/24/1017091924.db2.gz WATGNCGVKXPXLY-QGZVFWFLSA-N -1 0 332.444 3.958 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)N(C)CCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000414634112 1017096024 /nfs/dbraw/zinc/09/60/24/1017096024.db2.gz WUESYJOOKBJBTQ-WBMJQRKESA-N -1 0 340.851 3.933 20 0 EHADRM CC(C)(NCc1ccc(C(=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000414634350 1017096158 /nfs/dbraw/zinc/09/61/58/1017096158.db2.gz BOGGSUIJMYXMSL-UHFFFAOYSA-N -1 0 344.358 3.885 20 0 EHADRM O=C([O-])[C@]1(Cc2ccccc2)CCCN1C(=O)Nc1ccc(F)cc1 ZINC000579910879 1017096592 /nfs/dbraw/zinc/09/65/92/1017096592.db2.gz YUQLYYQVRJDDKA-LJQANCHMSA-N -1 0 342.370 3.520 20 0 EHADRM CN(Cc1cccc(O)c1Cl)[C@H](CO)c1ccc(Cl)cc1 ZINC000449451399 1032568533 /nfs/dbraw/zinc/56/85/33/1032568533.db2.gz IMDZLAVSLZTHKY-CQSZACIVSA-N -1 0 326.223 3.864 20 0 EHADRM CC[C@H](NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-])c1cccc(Cl)c1 ZINC000601989682 1032584084 /nfs/dbraw/zinc/58/40/84/1032584084.db2.gz CBOGSVVJCPWBMY-BREBYQMCSA-N -1 0 329.849 3.502 20 0 EHADRM CCS[C@@H]1CCCC[C@H]1NC(=O)c1c(C)ccc(C)c1C(=O)[O-] ZINC000601999665 1032586827 /nfs/dbraw/zinc/58/68/27/1032586827.db2.gz JVRKYKXLCWKKBP-ZIAGYGMSSA-N -1 0 335.469 3.796 20 0 EHADRM O=C(NC1CCC(O)(c2ccccc2)CC1)c1cccc(Cl)c1[O-] ZINC000760998153 1032588152 /nfs/dbraw/zinc/58/81/52/1032588152.db2.gz VMDISDAKMQOZTN-UHFFFAOYSA-N -1 0 345.826 3.606 20 0 EHADRM CC(C)(C)OC(=O)C1(C(=O)Nc2cc(Cl)c([O-])cc2F)CCC1 ZINC000597651857 1032604861 /nfs/dbraw/zinc/60/48/61/1032604861.db2.gz OBSINFZJBLMHMN-UHFFFAOYSA-N -1 0 343.782 3.635 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccc(Cl)cc2Cl)[C@H](C(=O)[O-])C1 ZINC000128208750 1017138891 /nfs/dbraw/zinc/13/88/91/1017138891.db2.gz YGJLRRWRIMHNMP-UFBFGSQYSA-N -1 0 331.199 3.710 20 0 EHADRM COc1ccc(Nc2cc(Cl)c(F)cc2F)c(S(=O)(=O)[O-])c1 ZINC001210114695 1017141126 /nfs/dbraw/zinc/14/11/26/1017141126.db2.gz ZOUHZIGMEAWUDN-UHFFFAOYSA-N -1 0 349.742 3.617 20 0 EHADRM O=C([O-])[C@@H](NCc1cnc(C2CCC2)s1)c1cc(F)ccc1F ZINC000669471444 1032692632 /nfs/dbraw/zinc/69/26/32/1032692632.db2.gz KJTXRJVIOXFQAX-AWEZNQCLSA-N -1 0 338.379 3.604 20 0 EHADRM C[C@H]1c2ccc(F)cc2CCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000606449499 1032694966 /nfs/dbraw/zinc/69/49/66/1032694966.db2.gz XUMJTYMORIQTRG-JTQLQIEISA-N -1 0 329.400 3.655 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)N[C@H](CC(=O)[O-])C1CCCCC1 ZINC000537402238 1032704697 /nfs/dbraw/zinc/70/46/97/1032704697.db2.gz FBIFVDVAJAPYFN-KBXCAEBGSA-N -1 0 349.446 3.934 20 0 EHADRM Oc1ccc(-c2noc(-c3cccc(Nc4ncccn4)c3)n2)cc1F ZINC000683592511 1017572136 /nfs/dbraw/zinc/57/21/36/1017572136.db2.gz GMIGYEGSHVGPEJ-UHFFFAOYSA-N -1 0 349.325 3.782 20 0 EHADRM COc1ccc(C(=O)[O-])cc1Nc1nc(F)cc(C(F)(F)F)c1F ZINC001210252847 1017694622 /nfs/dbraw/zinc/69/46/22/1017694622.db2.gz QOELVYIMDZOKBW-UHFFFAOYSA-N -1 0 348.227 3.829 20 0 EHADRM O=C(NC[C@H]1CCc2ccccc2C1)c1cc(F)c([O-])c(Cl)c1 ZINC000683621865 1017737963 /nfs/dbraw/zinc/73/79/63/1017737963.db2.gz JLEIHRKXLIAXRO-NSHDSACASA-N -1 0 333.790 3.720 20 0 EHADRM COC1(CN=c2[n-]nc(C(F)F)o2)CCC(c2ccccc2)CC1 ZINC000377403604 1017754246 /nfs/dbraw/zinc/75/42/46/1017754246.db2.gz WLGPPGCQXDEJGP-UHFFFAOYSA-N -1 0 337.370 3.584 20 0 EHADRM CCc1cc2c(ncnc2N2CCC(C(C)(C)C(=O)[O-])CC2)s1 ZINC000579957631 1017768897 /nfs/dbraw/zinc/76/88/97/1017768897.db2.gz FTIJMSDMILSYCM-UHFFFAOYSA-N -1 0 333.457 3.581 20 0 EHADRM Cc1ccc(NC(=O)CC2(C(=O)[O-])CCCC2)cc1Br ZINC000070140518 1017833042 /nfs/dbraw/zinc/83/30/42/1017833042.db2.gz LUIBLUKUZRHBJV-UHFFFAOYSA-N -1 0 340.217 3.731 20 0 EHADRM CCN(C(=O)NC[C@H](C)C(=O)[O-])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000655885758 1017857826 /nfs/dbraw/zinc/85/78/26/1017857826.db2.gz TUUOQZARHVVCMT-QWRGUYRKSA-N -1 0 346.349 3.519 20 0 EHADRM C[C@H](NC(=O)N1CCC(C(C)(C)C)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655902312 1017882536 /nfs/dbraw/zinc/88/25/36/1017882536.db2.gz KACCQPAAQQLZHZ-AEGPPILISA-N -1 0 338.492 3.590 20 0 EHADRM Cc1cc(-c2ccc(F)s2)ccc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000579972951 1017921237 /nfs/dbraw/zinc/92/12/37/1017921237.db2.gz QLHNIFWQPVUVIM-CYBMUJFWSA-N -1 0 347.411 3.799 20 0 EHADRM O=C(NCc1ccc(O)c(F)c1)N(Cc1ccco1)C1CCCC1 ZINC000163750615 1017939838 /nfs/dbraw/zinc/93/98/38/1017939838.db2.gz ZRNFMLSONNYCFY-UHFFFAOYSA-N -1 0 332.375 3.779 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)ccc1O)c1cccc(C(F)F)c1 ZINC000780387013 1018031818 /nfs/dbraw/zinc/03/18/18/1018031818.db2.gz GCFGZSWOZDVLKB-UHFFFAOYSA-N -1 0 333.743 3.784 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N2CCCC[C@@H]2[C@H](C)CC)s1 ZINC000606542720 1032744180 /nfs/dbraw/zinc/74/41/80/1032744180.db2.gz HFJBIFSQXLKAPZ-GHMZBOCLSA-N -1 0 328.507 3.505 20 0 EHADRM O=C(NCc1ccc(O)c(F)c1)N1CCCCC[C@@H]1c1ccco1 ZINC000163767557 1018234685 /nfs/dbraw/zinc/23/46/85/1018234685.db2.gz VMZIWRFFSLBNAA-OAHLLOKOSA-N -1 0 332.375 3.951 20 0 EHADRM COc1ccccc1Cc1nc(=O)c2snc(-c3ccccc3)c2[n-]1 ZINC000548029971 1018380350 /nfs/dbraw/zinc/38/03/50/1018380350.db2.gz MPMLVQHTVVIHIV-UHFFFAOYSA-N -1 0 349.415 3.646 20 0 EHADRM C[C@@H](NC(=O)c1cc(F)c(F)cc1C(=O)[O-])[C@@H]1CC2CCC1CC2 ZINC000394249717 1018383615 /nfs/dbraw/zinc/38/36/15/1018383615.db2.gz ZQKRVHSYAPJLKQ-YYJSSNLHSA-N -1 0 337.366 3.608 20 0 EHADRM Cc1ccccc1-c1n[n-]c(=NCc2ncc(C(F)(F)F)s2)o1 ZINC000340557280 1018429953 /nfs/dbraw/zinc/42/99/53/1018429953.db2.gz MCIJEYYCTIPDBM-UHFFFAOYSA-N -1 0 340.330 3.554 20 0 EHADRM Cc1cc(C)c(Nc2cnc3sccc3c2)c(S(=O)(=O)[O-])c1 ZINC001210693362 1018561283 /nfs/dbraw/zinc/56/12/83/1018561283.db2.gz NNKJDKFDPFYERL-UHFFFAOYSA-N -1 0 334.422 3.903 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C(F)F)cc1 ZINC000340581077 1018571605 /nfs/dbraw/zinc/57/16/05/1018571605.db2.gz RXXQWAYOHWGAMQ-UHFFFAOYSA-N -1 0 343.399 3.586 20 0 EHADRM Cc1ccc(-c2n[n-]c(=Nc3cnn(C(C)C)c3)n2C2CC2)s1 ZINC000571416110 1018921170 /nfs/dbraw/zinc/92/11/70/1018921170.db2.gz HRQVLDDCNUAWPE-UHFFFAOYSA-N -1 0 328.445 3.593 20 0 EHADRM CCCCOCCSc1n[n-]c(=Nc2cccc(F)c2)s1 ZINC000614382067 1018924934 /nfs/dbraw/zinc/92/49/34/1018924934.db2.gz BMPHFFJHEGRIAL-UHFFFAOYSA-N -1 0 327.450 3.752 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1C(=O)Nc1cc(Br)ccc1Cl ZINC000128103970 1018973937 /nfs/dbraw/zinc/97/39/37/1018973937.db2.gz OSVDVOHZMZKVFN-DTWKUNHWSA-N -1 0 346.608 3.542 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2cc(Cl)cc(C)c2O)c1 ZINC000433492894 1019020752 /nfs/dbraw/zinc/02/07/52/1019020752.db2.gz WWCDSPJUTIXADJ-UHFFFAOYSA-N -1 0 325.817 3.717 20 0 EHADRM Cc1nc2cc([N-]S(=O)(=O)c3cc(Cl)ccc3F)ccc2o1 ZINC000340634802 1019033408 /nfs/dbraw/zinc/03/34/08/1019033408.db2.gz XSIHYNITDYBCML-UHFFFAOYSA-N -1 0 340.763 3.730 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1sc(C)nc1CC(C)C ZINC000340637923 1019046803 /nfs/dbraw/zinc/04/68/03/1019046803.db2.gz DEGZVNNROJWGOB-UHFFFAOYSA-N -1 0 330.500 3.821 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)c(C)o1 ZINC000345095121 1019085055 /nfs/dbraw/zinc/08/50/55/1019085055.db2.gz ROUKFVXTKAKCIX-UHFFFAOYSA-N -1 0 344.392 3.885 20 0 EHADRM CC(C)CC(CC(C)C)NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000728983840 1019144990 /nfs/dbraw/zinc/14/49/90/1019144990.db2.gz TXLLJNJUPKFDPL-UHFFFAOYSA-N -1 0 347.484 3.815 20 0 EHADRM Cc1c2[nH]ccc2ccc1NC1([P@@](=O)([O-])O)Cc2ccccc2C1 ZINC001167937244 1019239363 /nfs/dbraw/zinc/23/93/63/1019239363.db2.gz BALVPNBDLVWQNA-UHFFFAOYSA-N -1 0 342.335 3.561 20 0 EHADRM CC(C)(C(=O)[N-]OCc1coc(-c2ccccc2)n1)c1ccccc1 ZINC000729263857 1019252293 /nfs/dbraw/zinc/25/22/93/1019252293.db2.gz NEDQKPOWOBMRAV-UHFFFAOYSA-N -1 0 336.391 3.867 20 0 EHADRM COc1ccc(-c2csc(CN=c3[n-]nc(C(C)C)o3)c2)cc1 ZINC000580402160 1019294173 /nfs/dbraw/zinc/29/41/73/1019294173.db2.gz ITRDIYWRRCUUBA-UHFFFAOYSA-N -1 0 329.425 3.964 20 0 EHADRM Cc1cc2cc(NC3([P@@](=O)([O-])O)Cc4ccccc4C3)ccc2[nH]1 ZINC001167940450 1019315465 /nfs/dbraw/zinc/31/54/65/1019315465.db2.gz WLTKOIWOGPXZOA-UHFFFAOYSA-N -1 0 342.335 3.561 20 0 EHADRM Cc1cc(-c2cc(F)ccc2OC[C@@H]2CCOC2)ccc1CC(=O)[O-] ZINC000580466737 1019415771 /nfs/dbraw/zinc/41/57/71/1019415771.db2.gz KWKIRWBWWFDBPP-CQSZACIVSA-N -1 0 344.382 3.844 20 0 EHADRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc3ccccc3n2)cc1F ZINC000476089493 1032832912 /nfs/dbraw/zinc/83/29/12/1032832912.db2.gz HPPVZCNKRJOIHH-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM O=C([O-])[C@H](Cc1ccccc1)N(C(=O)Nc1ccccc1F)C1CC1 ZINC000580514379 1019535108 /nfs/dbraw/zinc/53/51/08/1019535108.db2.gz OAYFQENVJUZOED-KRWDZBQOSA-N -1 0 342.370 3.518 20 0 EHADRM Cc1cn([C@@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1ccccc1 ZINC000471589165 1019568462 /nfs/dbraw/zinc/56/84/62/1019568462.db2.gz ZXACLURMTGXRCF-HNNXBMFYSA-N -1 0 341.436 3.602 20 0 EHADRM Cc1c(COc2ccccc2)cccc1NC(=O)[C@H]1CC[C@@H]1C(=O)[O-] ZINC000262238083 1019569127 /nfs/dbraw/zinc/56/91/27/1019569127.db2.gz VYSVMRDMLDKUIS-IRXDYDNUSA-N -1 0 339.391 3.623 20 0 EHADRM Cc1ccc(Cc2n[n-]c(=NC(=O)c3ccc(F)cc3C)s2)cc1 ZINC000433756836 1019572474 /nfs/dbraw/zinc/57/24/74/1019572474.db2.gz GYAFWGFTCJKMFB-UHFFFAOYSA-N -1 0 341.411 3.559 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000262312691 1019591366 /nfs/dbraw/zinc/59/13/66/1019591366.db2.gz SWJVROUOHRUYEZ-UHFFFAOYSA-N -1 0 332.425 3.628 20 0 EHADRM CCOc1cc([N-]S(=O)(=O)c2cccc3cccnc32)ccc1C ZINC000340725402 1019612357 /nfs/dbraw/zinc/61/23/57/1019612357.db2.gz BKAFHVQRDCYFMQ-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM COc1ccc(-c2cc(C(=O)NCCCCC(=O)[O-])sc2C)cc1 ZINC000262413853 1019617420 /nfs/dbraw/zinc/61/74/20/1019617420.db2.gz QVKFKKKLMIDOHC-UHFFFAOYSA-N -1 0 347.436 3.717 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1nc(C(C)C)ncc1Cl ZINC000262489378 1019644812 /nfs/dbraw/zinc/64/48/12/1019644812.db2.gz JBBNCKXQOGJNIE-UHFFFAOYSA-N -1 0 347.802 3.821 20 0 EHADRM Cc1c(CNC(=O)C[C@H](C)CC(=O)[O-])sc2ccc(Cl)cc12 ZINC000580570752 1019662819 /nfs/dbraw/zinc/66/28/19/1019662819.db2.gz KVLAGDYLTUOSPZ-VIFPVBQESA-N -1 0 339.844 3.980 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc(C)c(OC(F)F)c2)c1F ZINC000513446791 1019668768 /nfs/dbraw/zinc/66/87/68/1019668768.db2.gz IGBLYWHFPJZYJF-UHFFFAOYSA-N -1 0 345.342 3.845 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CCOCc1ccccc1 ZINC000262574480 1019669129 /nfs/dbraw/zinc/66/91/29/1019669129.db2.gz ZQWIMOKEYHDISX-UHFFFAOYSA-N -1 0 327.380 3.547 20 0 EHADRM CCC(C)(C)c1n[n-]c(=NCc2c(C)nn(-c3ccccc3)c2C)o1 ZINC000647850667 1019753258 /nfs/dbraw/zinc/75/32/58/1019753258.db2.gz WPFVXZTUXHMNPK-UHFFFAOYSA-N -1 0 339.443 3.594 20 0 EHADRM CC[C@@H](C(=O)NCCC(C)(C)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000263080769 1019810948 /nfs/dbraw/zinc/81/09/48/1019810948.db2.gz RZXPFFMXQDSDTE-CYBMUJFWSA-N -1 0 345.361 3.816 20 0 EHADRM Cc1nc(C(=O)N2CC3(CCCC3)c3ccccc32)ccc1C(=O)[O-] ZINC000263334153 1019877213 /nfs/dbraw/zinc/87/72/13/1019877213.db2.gz MYRMUXQRNSHEIJ-UHFFFAOYSA-N -1 0 336.391 3.560 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)[N-]OCc2cccnc2)c1 ZINC000155821852 1019888288 /nfs/dbraw/zinc/88/82/88/1019888288.db2.gz SGNCZASAFNXYKM-HNNXBMFYSA-N -1 0 328.412 3.529 20 0 EHADRM O=C(Cc1ccccc1)Nc1cc(Cl)cc(Br)c1[O-] ZINC000536214881 1032859578 /nfs/dbraw/zinc/85/95/78/1032859578.db2.gz NTJVFNOQHBJNCC-UHFFFAOYSA-N -1 0 340.604 3.989 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)[C@@H](C)c1c(F)cccc1F ZINC000263479630 1019914735 /nfs/dbraw/zinc/91/47/35/1019914735.db2.gz AGOZXIATFOWLFN-BLLLJJGKSA-N -1 0 347.361 3.709 20 0 EHADRM CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C)oc1C ZINC000345107067 1019951557 /nfs/dbraw/zinc/95/15/57/1019951557.db2.gz TXWKJAIRNHNNSV-UHFFFAOYSA-N -1 0 327.377 3.625 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)cc1 ZINC000574263321 1032868928 /nfs/dbraw/zinc/86/89/28/1032868928.db2.gz LHUDKLDRHWWLSC-UHFFFAOYSA-N -1 0 347.770 3.818 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc(Br)c(F)c2)CCCC1 ZINC000088083214 1020032794 /nfs/dbraw/zinc/03/27/94/1020032794.db2.gz UZUODVJCUGSWGZ-UHFFFAOYSA-N -1 0 344.180 3.562 20 0 EHADRM CCCC1CCC(NC(=O)N=c2[n-]nc(SCC)s2)CC1 ZINC000510350601 1020037507 /nfs/dbraw/zinc/03/75/07/1020037507.db2.gz JWYODMDMORYKAX-UHFFFAOYSA-N -1 0 328.507 3.552 20 0 EHADRM CCCCn1ncc([N-]S(=O)(=O)c2c(C)cccc2Cl)c1C ZINC000414378798 1020194003 /nfs/dbraw/zinc/19/40/03/1020194003.db2.gz ZUFIFZBAWUIRQE-UHFFFAOYSA-N -1 0 341.864 3.754 20 0 EHADRM CC[C@H](N=c1[n-]c(C(=O)OC)c(C)s1)c1ccc(F)cc1F ZINC000434094570 1020301517 /nfs/dbraw/zinc/30/15/17/1020301517.db2.gz XQSUHKHWQWOWPR-LBPRGKRZSA-N -1 0 326.368 3.501 20 0 EHADRM CCCN(C(=O)N[C@@H](CC)c1ccc(F)cc1F)[C@H](CC)C(=O)[O-] ZINC000580989926 1020338479 /nfs/dbraw/zinc/33/84/79/1020338479.db2.gz MXGGPTFQLRJKRN-LSDHHAIUSA-N -1 0 342.386 3.701 20 0 EHADRM COC(=O)c1[n-]c(=N[C@@H]2CC(C)(C)Cc3oc(C)cc32)sc1C ZINC000434096927 1020374195 /nfs/dbraw/zinc/37/41/95/1020374195.db2.gz ZLZPURSYHHDARO-GFCCVEGCSA-N -1 0 334.441 3.687 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)N=c1ncn(C(C)(C)C)[n-]1)c1ccccc1 ZINC000345583913 1020374524 /nfs/dbraw/zinc/37/45/24/1020374524.db2.gz IAZBLDMRSJJCFE-HNNXBMFYSA-N -1 0 343.475 3.754 20 0 EHADRM Cn1cc(Br)cc1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000345645737 1020415588 /nfs/dbraw/zinc/41/55/88/1020415588.db2.gz FBAZAASXSFOMOQ-UHFFFAOYSA-N -1 0 347.571 3.538 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c(O)c1 ZINC000035081937 1032910625 /nfs/dbraw/zinc/91/06/25/1032910625.db2.gz XSDFQFIXIALLEZ-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM O=C([O-])c1sc2ccsc2c1CNC(=O)[C@@H]1CCC[C@H](F)C1 ZINC000581246769 1020579641 /nfs/dbraw/zinc/57/96/41/1020579641.db2.gz LFTVMGMCCQNOKZ-BDAKNGLRSA-N -1 0 341.429 3.806 20 0 EHADRM COc1cc(C)c(NC(=O)c2cc(F)c(F)c([O-])c2F)c(C)c1C ZINC000345899270 1020597507 /nfs/dbraw/zinc/59/75/07/1020597507.db2.gz GPFLREKOMQHBED-UHFFFAOYSA-N -1 0 339.313 3.996 20 0 EHADRM O=C1CCC(CSc2n[n-]c(=NC3CCCCC3)s2)CC1 ZINC000581265879 1020606046 /nfs/dbraw/zinc/60/60/46/1020606046.db2.gz QHDLBUOCKRLBGN-UHFFFAOYSA-N -1 0 325.503 3.556 20 0 EHADRM CN(Cc1c(F)cccc1Cl)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000345932926 1020620697 /nfs/dbraw/zinc/62/06/97/1020620697.db2.gz JFRMDUYLYNULPZ-UHFFFAOYSA-N -1 0 347.695 3.874 20 0 EHADRM CC[C@H](NC(=O)N=c1[n-]nc(-c2ccsc2)s1)c1ccccc1 ZINC000621791108 1020627710 /nfs/dbraw/zinc/62/77/10/1020627710.db2.gz RBCXBUUPMOPICM-ZDUSSCGKSA-N -1 0 344.465 3.961 20 0 EHADRM CC1(C)C[C@H](Sc2n[n-]c(=NCCc3ccccc3)s2)CCO1 ZINC000581297089 1020650089 /nfs/dbraw/zinc/65/00/89/1020650089.db2.gz DVPKSRPCPAUKEF-CQSZACIVSA-N -1 0 349.525 3.664 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000050921128 1020707655 /nfs/dbraw/zinc/70/76/55/1020707655.db2.gz RZYSGBKKVXWWSK-NSHDSACASA-N -1 0 330.211 3.853 20 0 EHADRM CCOc1cc(F)ccc1NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000048383535 1020733900 /nfs/dbraw/zinc/73/39/00/1020733900.db2.gz VJJSBKYOMJPAIX-LJQANCHMSA-N -1 0 345.370 3.596 20 0 EHADRM C[C@@](CCF)(NC(=O)Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)[O-] ZINC000656504647 1020760490 /nfs/dbraw/zinc/76/04/90/1020760490.db2.gz GWFPMMHHWCQXOA-IBGZPJMESA-N -1 0 342.370 3.582 20 0 EHADRM O=C([O-])c1ccc(C[NH2+]Cc2cc3ccncc3s2)nc1C1CC1 ZINC000656567316 1020923493 /nfs/dbraw/zinc/92/34/93/1020923493.db2.gz MKJFNXTZYIWPQM-UHFFFAOYSA-N -1 0 339.420 3.557 20 0 EHADRM C[C@@H](c1ccccc1)[C@@H](NCc1ncc(C(C)(C)C)s1)C(=O)[O-] ZINC000656570033 1020939943 /nfs/dbraw/zinc/93/99/43/1020939943.db2.gz VPXWYYQLFPRGIY-BLLLJJGKSA-N -1 0 332.469 3.787 20 0 EHADRM CSc1ccc(N(C)C(=O)N=c2[n-]nc(CC(C)C)s2)cc1 ZINC000581556610 1021086566 /nfs/dbraw/zinc/08/65/66/1021086566.db2.gz MEPLHNQQKVSJAX-UHFFFAOYSA-N -1 0 336.486 3.549 20 0 EHADRM CC(C)[C@@H](SCc1ccccc1)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000341203180 1021091866 /nfs/dbraw/zinc/09/18/66/1021091866.db2.gz HMTOSMPAGYKNJP-GOSISDBHSA-N -1 0 341.480 3.672 20 0 EHADRM O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(=O)c2ccccc2[n-]1 ZINC000518421777 1021172466 /nfs/dbraw/zinc/17/24/66/1021172466.db2.gz MZLRNTXYNWMROX-UHFFFAOYSA-N -1 0 332.281 3.799 20 0 EHADRM C[C@H]1CCN(c2cc(C(=O)Nc3cc(Cl)c([O-])cc3F)ccn2)C1 ZINC000436775351 1021204926 /nfs/dbraw/zinc/20/49/26/1021204926.db2.gz WREGTEIWOLQNMC-JTQLQIEISA-N -1 0 349.793 3.678 20 0 EHADRM Cn1cc(-c2noc(-c3cc(Cl)ccc3[O-])n2)c(C(F)(F)F)n1 ZINC000436776390 1021206547 /nfs/dbraw/zinc/20/65/47/1021206547.db2.gz UVCNJHLSCYUABN-UHFFFAOYSA-N -1 0 344.680 3.515 20 0 EHADRM C(CSc1n[n-]c(=NC[C@@H]2CCCO2)s1)CC1CCCC1 ZINC000468090141 1021216814 /nfs/dbraw/zinc/21/68/14/1021216814.db2.gz YLCKOUASRRQVGE-ZDUSSCGKSA-N -1 0 327.519 3.613 20 0 EHADRM CCOc1cc(/C=C/c2nc3c(cccc3C(=O)[O-])o2)ccc1O ZINC000436784496 1021225146 /nfs/dbraw/zinc/22/51/46/1021225146.db2.gz QLYXZNQAQZTOTH-VQHVLOKHSA-N -1 0 325.320 3.801 20 0 EHADRM CC(C)(C)c1coc([N-]S(=O)(=O)CCc2ccccc2Cl)n1 ZINC000656736498 1021228542 /nfs/dbraw/zinc/22/85/42/1021228542.db2.gz AXOKOHOHOLKCAS-UHFFFAOYSA-N -1 0 342.848 3.610 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2nccc(C)c2C2CC2)cc1C ZINC000656738206 1021232171 /nfs/dbraw/zinc/23/21/71/1021232171.db2.gz GNWWWEHQBUBLTC-UHFFFAOYSA-N -1 0 346.452 3.775 20 0 EHADRM CC[C@@H]1CCCN1C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000439213057 1021248331 /nfs/dbraw/zinc/24/83/31/1021248331.db2.gz HMEJYIGPAHHFOF-OAHLLOKOSA-N -1 0 327.428 3.716 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000439223378 1021254474 /nfs/dbraw/zinc/25/44/74/1021254474.db2.gz NBNNCFUJJSLEAD-AVGNSLFASA-N -1 0 339.505 3.570 20 0 EHADRM Cc1cc(O)c(C(C)C)cc1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000439223367 1021255227 /nfs/dbraw/zinc/25/52/27/1021255227.db2.gz HUQVUDUJZDYYGR-UHFFFAOYSA-N -1 0 336.391 3.918 20 0 EHADRM Cc1nnc(N(C)C(=O)c2cc(Cl)c3ccccc3c2[O-])s1 ZINC000436814404 1021259550 /nfs/dbraw/zinc/25/95/50/1021259550.db2.gz KWLJRUKUGQFHSH-UHFFFAOYSA-N -1 0 333.800 3.635 20 0 EHADRM Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3cc(F)c([O-])c(F)c3)C2)cc1 ZINC000436830117 1021263180 /nfs/dbraw/zinc/26/31/80/1021263180.db2.gz UPBQFBHJTYKKJO-WFASDCNBSA-N -1 0 331.362 3.997 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(Cl)c(O)c(OC)c2)c1 ZINC000436836242 1021269372 /nfs/dbraw/zinc/26/93/72/1021269372.db2.gz YSNXJVMJSZQALV-UHFFFAOYSA-N -1 0 349.770 3.605 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)CCCC1 ZINC000516282274 1021270704 /nfs/dbraw/zinc/27/07/04/1021270704.db2.gz FCUAVUVFXPVHEQ-SJORKVTESA-N -1 0 329.440 3.864 20 0 EHADRM COCC[C@@H]1CCCCN(C(=O)c2c([O-])cc(Cl)cc2Cl)C1 ZINC000436821405 1021274477 /nfs/dbraw/zinc/27/44/77/1021274477.db2.gz WAVXKSLPSLLJOK-NSHDSACASA-N -1 0 346.254 3.978 20 0 EHADRM O=C(Nc1ccc(N2CCCC2=O)cc1)c1cc(F)c([O-])c(Cl)c1 ZINC000436854104 1021279372 /nfs/dbraw/zinc/27/93/72/1021279372.db2.gz MJOZXRPBWBSOIB-UHFFFAOYSA-N -1 0 348.761 3.564 20 0 EHADRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2ccn(C(C)C)n2)c1 ZINC000516322416 1021283009 /nfs/dbraw/zinc/28/30/09/1021283009.db2.gz SDDFBHSRMCRUMJ-UHFFFAOYSA-N -1 0 341.864 3.871 20 0 EHADRM O=C(Nc1ncc(-c2ccccn2)s1)c1cc(F)c([O-])c(Cl)c1 ZINC000436842673 1021287285 /nfs/dbraw/zinc/28/72/85/1021287285.db2.gz WKVNVMORJIRUAG-UHFFFAOYSA-N -1 0 349.774 3.956 20 0 EHADRM O=C(Nc1csc(-c2ccccn2)n1)c1ccc([O-])c(Cl)c1 ZINC000436846083 1021289483 /nfs/dbraw/zinc/28/94/83/1021289483.db2.gz WHTKAIFDKBNXLW-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM Cc1ccc(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)c(O)c1C ZINC000436852007 1021294612 /nfs/dbraw/zinc/29/46/12/1021294612.db2.gz HEAMRHFVJIALNX-QGZVFWFLSA-N -1 0 341.407 3.819 20 0 EHADRM COc1cccc(/C=C/c2nc3c(cccc3C(=O)[O-])o2)c1OC ZINC000439276019 1021313501 /nfs/dbraw/zinc/31/35/01/1021313501.db2.gz RJDCBKKQQWXVAH-MDZDMXLPSA-N -1 0 325.320 3.714 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)Cc2ccccc2C(F)(F)F)c1 ZINC000436876866 1021324094 /nfs/dbraw/zinc/32/40/94/1021324094.db2.gz LEYDUTCWSPOKOS-UHFFFAOYSA-N -1 0 337.297 3.795 20 0 EHADRM CC(C)[C@H](C)N(C(=O)c1cc(F)cc(Br)c1[O-])C1CC1 ZINC000436889441 1021344460 /nfs/dbraw/zinc/34/44/60/1021344460.db2.gz BQXBJSXJSXUMMF-VIFPVBQESA-N -1 0 344.224 3.943 20 0 EHADRM O=C(Nc1csc(-c2ccccn2)n1)c1cc(Cl)ccc1[O-] ZINC000436904966 1021348717 /nfs/dbraw/zinc/34/87/17/1021348717.db2.gz RMBXZKZQIKLISV-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM Cc1ccc(-c2noc(-c3ccc(Br)cc3[O-])n2)cn1 ZINC000436899248 1021362868 /nfs/dbraw/zinc/36/28/68/1021362868.db2.gz CNOFGCMLGBKXLQ-UHFFFAOYSA-N -1 0 332.157 3.575 20 0 EHADRM C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc([O-])c(Cl)c1 ZINC000436916249 1021370510 /nfs/dbraw/zinc/37/05/10/1021370510.db2.gz VIRXWKRNMOAHKD-DIFFPNOSSA-N -1 0 331.799 3.510 20 0 EHADRM CCOc1ccc2c(c1)CCN(C(=O)c1cc(F)cc(Cl)c1[O-])C2 ZINC000436914433 1021372126 /nfs/dbraw/zinc/37/21/26/1021372126.db2.gz LRBBLAIXHAMSTQ-UHFFFAOYSA-N -1 0 349.789 3.782 20 0 EHADRM Cc1cc(-c2noc(-c3cc(Cl)ccc3[O-])n2)cc2[nH]cnc21 ZINC000436933890 1021397861 /nfs/dbraw/zinc/39/78/61/1021397861.db2.gz VTCHHZKESGGFPX-UHFFFAOYSA-N -1 0 326.743 3.947 20 0 EHADRM CC(=O)c1cc(NS(=O)(=O)c2ccc(C)c(Cl)c2)ccc1F ZINC000507620782 1021406441 /nfs/dbraw/zinc/40/64/41/1021406441.db2.gz MBVCRUHVWOMHES-UHFFFAOYSA-N -1 0 341.791 3.791 20 0 EHADRM CC(C)CCc1ccc(S(=O)(=O)[N-]c2cc3n(n2)CCCC3)cc1 ZINC000507633634 1021411442 /nfs/dbraw/zinc/41/14/42/1021411442.db2.gz CPDNHJBAIJHIPW-UHFFFAOYSA-N -1 0 347.484 3.609 20 0 EHADRM COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000436969222 1021416747 /nfs/dbraw/zinc/41/67/47/1021416747.db2.gz XMTDEYWCHPKENT-DIFFPNOSSA-N -1 0 347.361 3.902 20 0 EHADRM Cc1ccc([C@H]2CSCCN2C(=O)c2c([O-])cccc2F)cc1 ZINC000436952107 1021417096 /nfs/dbraw/zinc/41/70/96/1021417096.db2.gz VMOLXTYTQFFYQZ-OAHLLOKOSA-N -1 0 331.412 3.770 20 0 EHADRM COc1ccccc1C1(CNC(=O)c2ccc([O-])c(Cl)c2)CCC1 ZINC000436956347 1021420495 /nfs/dbraw/zinc/42/04/95/1021420495.db2.gz QMOXQOMONITZMP-UHFFFAOYSA-N -1 0 345.826 3.906 20 0 EHADRM CC(C)Cn1ncc(NC(=O)c2c([O-])cccc2F)c1C(F)F ZINC000436988800 1021444099 /nfs/dbraw/zinc/44/40/99/1021444099.db2.gz MRPYULRLLZNEOI-UHFFFAOYSA-N -1 0 327.306 3.574 20 0 EHADRM COCCC[C@H](Cc1ccccc1)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000437005970 1021462696 /nfs/dbraw/zinc/46/26/96/1021462696.db2.gz XHLACVWIKILGTA-MRXNPFEDSA-N -1 0 347.842 3.813 20 0 EHADRM C[C@@H](CN=c1nc(C(F)(F)F)[n-]s1)Oc1ccccc1Cl ZINC000581683962 1021488401 /nfs/dbraw/zinc/48/84/01/1021488401.db2.gz OQCGDKGJEWXZMJ-ZETCQYMHSA-N -1 0 337.754 3.512 20 0 EHADRM COC(=O)c1cc(/C=C2/CCc3c2nc2ccccc2c3C(=O)[O-])c[nH]1 ZINC000439510524 1021498140 /nfs/dbraw/zinc/49/81/40/1021498140.db2.gz GUYPLEXWLXGACC-WQLSENKSSA-N -1 0 348.358 3.535 20 0 EHADRM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2cc(Cl)ccc2O)c1 ZINC000607104007 1032986121 /nfs/dbraw/zinc/98/61/21/1032986121.db2.gz YPHOOFMIQKPRER-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM C[C@H](N=c1nc(-c2ccccc2)o[n-]1)c1ccc(-n2cccn2)c(F)c1 ZINC000558969979 1021557823 /nfs/dbraw/zinc/55/78/23/1021557823.db2.gz CZNBHKMFMIHFNX-ZDUSSCGKSA-N -1 0 349.369 3.656 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cccc3ccccc32)c2n[nH]cc21 ZINC000439565226 1021560281 /nfs/dbraw/zinc/56/02/81/1021560281.db2.gz RFWWNARPRYDAIN-UHFFFAOYSA-N -1 0 337.404 3.825 20 0 EHADRM CCC(CC)c1nnc([N-]S(=O)(=O)c2sccc2C)s1 ZINC000437193245 1021623416 /nfs/dbraw/zinc/62/34/16/1021623416.db2.gz GTROUVSRVJJZNS-UHFFFAOYSA-N -1 0 331.488 3.612 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2nnc(C(C)C)s2)c1C ZINC000437199586 1021635408 /nfs/dbraw/zinc/63/54/08/1021635408.db2.gz RKHQETORNWFCKG-UHFFFAOYSA-N -1 0 339.486 3.696 20 0 EHADRM CC(C)(C)Cc1nc2cc(NC(=O)NCCCCC(=O)[O-])ccc2o1 ZINC000669499117 1032996594 /nfs/dbraw/zinc/99/65/94/1032996594.db2.gz VTFHMWRBTZPEDN-UHFFFAOYSA-N -1 0 347.415 3.793 20 0 EHADRM Clc1ccc(Cc2n[n-]c(=NC[C@H]3CCCSC3)s2)cc1 ZINC000516677496 1021644914 /nfs/dbraw/zinc/64/49/14/1021644914.db2.gz DPMZRAHZWXKPMZ-GFCCVEGCSA-N -1 0 339.917 3.759 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000439700317 1021660192 /nfs/dbraw/zinc/66/01/92/1021660192.db2.gz XDCWWOXPFNEEOO-KDOFPFPSSA-N -1 0 337.419 3.958 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)N[C@H](CC(=O)[O-])C1CCCCC1 ZINC000519756877 1021674558 /nfs/dbraw/zinc/67/45/58/1021674558.db2.gz DVSXCJMXMKZMSO-RDTXWAMCSA-N -1 0 349.446 3.934 20 0 EHADRM Cc1ccn(C)c1C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000439740598 1021683030 /nfs/dbraw/zinc/68/30/30/1021683030.db2.gz BEXDLYMGHMVXGA-UHFFFAOYSA-N -1 0 343.608 3.707 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cn2)cc(C)c1F ZINC000437302333 1021715414 /nfs/dbraw/zinc/71/54/14/1021715414.db2.gz IOQZCOAHMMPVOK-UHFFFAOYSA-N -1 0 349.214 3.945 20 0 EHADRM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000646175579 1032999219 /nfs/dbraw/zinc/99/92/19/1032999219.db2.gz KLFAEYMXFMYCTB-XWTMOSNGSA-N -1 0 344.455 3.526 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ncc(C(C)(C)C)s2)c(F)c1 ZINC000437334466 1021744478 /nfs/dbraw/zinc/74/44/78/1021744478.db2.gz BMJIKMWSMPRCIZ-UHFFFAOYSA-N -1 0 328.434 3.689 20 0 EHADRM Cc1nn(C)c([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)c1C ZINC000439876137 1021785340 /nfs/dbraw/zinc/78/53/40/1021785340.db2.gz UDPKXZUVZYHOKJ-UHFFFAOYSA-N -1 0 349.843 3.644 20 0 EHADRM CCSc1ccc(C(=O)N(CCc2ccccc2)CC(=O)[O-])cc1 ZINC000439907642 1021804138 /nfs/dbraw/zinc/80/41/38/1021804138.db2.gz FVFYPXYAHHQQEW-UHFFFAOYSA-N -1 0 343.448 3.568 20 0 EHADRM Cc1ccc([C@H](CNC(=O)c2ccc(C3CCC3)cc2)C(=O)[O-])cc1 ZINC000439929764 1021819411 /nfs/dbraw/zinc/81/94/11/1021819411.db2.gz IMZXZUNMHFQCJA-IBGZPJMESA-N -1 0 337.419 3.861 20 0 EHADRM Cc1cc(C(=O)Nc2ccc3c(ccn3CC(=O)[O-])c2)ccc1Cl ZINC000439925741 1021831478 /nfs/dbraw/zinc/83/14/78/1021831478.db2.gz CAWMXDYVAZMZBA-UHFFFAOYSA-N -1 0 342.782 3.940 20 0 EHADRM CC(C)c1noc(=N[C@H](C)c2ccc(Br)cc2F)[n-]1 ZINC000516992081 1021927539 /nfs/dbraw/zinc/92/75/39/1021927539.db2.gz IIYZKNYJYBFWQE-MRVPVSSYSA-N -1 0 328.185 3.690 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc(Br)cc2Cl)CCC1 ZINC000312057247 1021934319 /nfs/dbraw/zinc/93/43/19/1021934319.db2.gz GDHIFWDCDDJGLG-UHFFFAOYSA-N -1 0 346.608 3.686 20 0 EHADRM CC[C@H](C(=O)N=c1ccc(C2CC2)n[n-]1)c1cccc(C(F)(F)F)c1 ZINC000437549831 1021935217 /nfs/dbraw/zinc/93/52/17/1021935217.db2.gz TVORGVIAGOXPAG-AWEZNQCLSA-N -1 0 349.356 3.927 20 0 EHADRM CCOc1ccc(NC(=O)N([C@@H](CC)C(=O)[O-])C2CC2)cc1Cl ZINC000517008282 1021936628 /nfs/dbraw/zinc/93/66/28/1021936628.db2.gz YSHMHLQDHOVECZ-ZDUSSCGKSA-N -1 0 340.807 3.598 20 0 EHADRM Cc1ccc(Nc2nc(CN3CC[C@@H](C)C[C@H]3C(=O)[O-])cs2)cc1 ZINC000564461102 1021958735 /nfs/dbraw/zinc/95/87/35/1021958735.db2.gz IEOBHFMOLRDWRZ-CJNGLKHVSA-N -1 0 345.468 3.880 20 0 EHADRM O=C(c1nn(-c2ccc(Cl)cc2)cc1[O-])N1CC[C@@H]2CCCC[C@@H]21 ZINC000517032234 1021960916 /nfs/dbraw/zinc/96/09/16/1021960916.db2.gz QRYRQUMJZOUAPK-WFASDCNBSA-N -1 0 345.830 3.636 20 0 EHADRM COCCc1nc2cc(NC(=O)c3ccc([O-])c(Cl)c3)ccc2o1 ZINC000440135570 1021974193 /nfs/dbraw/zinc/97/41/93/1021974193.db2.gz MEEHQNBCJAVDEW-UHFFFAOYSA-N -1 0 346.770 3.628 20 0 EHADRM CCSc1n[n-]c(=NC(=O)Nc2cccc(SCC)c2)s1 ZINC000506782922 1022000829 /nfs/dbraw/zinc/00/08/29/1022000829.db2.gz UMTKUZPCNHILMF-UHFFFAOYSA-N -1 0 340.499 3.828 20 0 EHADRM CCC[C@]1(C)CCCN(C(=O)N=c2[n-]nc(SCC)s2)C1 ZINC000437676566 1022047669 /nfs/dbraw/zinc/04/76/69/1022047669.db2.gz SECVQEUSHUMKRK-CQSZACIVSA-N -1 0 328.507 3.506 20 0 EHADRM C[C@H](C(F)(F)F)S(=O)(=O)[N-]CC1CCC(c2ccccc2)CC1 ZINC000546063266 1022050126 /nfs/dbraw/zinc/05/01/26/1022050126.db2.gz BHMOSVFJVBBCSQ-DNOWBOINSA-N -1 0 349.418 3.831 20 0 EHADRM O=S(=O)([N-]c1cccc(OCc2cccc(F)c2)c1)c1ccco1 ZINC000437681398 1022052231 /nfs/dbraw/zinc/05/22/31/1022052231.db2.gz XDEPIHOCAYFITD-UHFFFAOYSA-N -1 0 347.367 3.799 20 0 EHADRM O=C(CSc1nc(C(F)F)cc(=O)[nH]1)c1ccc(Cl)cc1 ZINC000517204435 1022131284 /nfs/dbraw/zinc/13/12/84/1022131284.db2.gz VODZGPXINUYMRR-UHFFFAOYSA-N -1 0 330.743 3.748 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC000517240627 1022160944 /nfs/dbraw/zinc/16/09/44/1022160944.db2.gz KQGBQUGQGWHERS-OAHLLOKOSA-N -1 0 347.480 3.976 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N[C@H]2CCc3cc(F)ccc32)s1 ZINC000510484922 1022170691 /nfs/dbraw/zinc/17/06/91/1022170691.db2.gz IBHKVFGXUCRGPP-AWEZNQCLSA-N -1 0 348.447 3.812 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)C1(c2cccc(F)c2)CCC1 ZINC000440408972 1022171223 /nfs/dbraw/zinc/17/12/23/1022171223.db2.gz SFEHINMNXCYYRI-UHFFFAOYSA-N -1 0 347.393 3.765 20 0 EHADRM O=C(CCSc1ccccc1)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000440413518 1022174438 /nfs/dbraw/zinc/17/44/38/1022174438.db2.gz XJGLXTXWJYGDII-UHFFFAOYSA-N -1 0 335.432 3.686 20 0 EHADRM Clc1ccccc1-c1n[n-]c(=NCc2ccc3c(c2)COC3)s1 ZINC000546179098 1022204671 /nfs/dbraw/zinc/20/46/71/1022204671.db2.gz ZMTFYGHBJHBQBI-UHFFFAOYSA-N -1 0 343.839 3.923 20 0 EHADRM O=C([O-])CCCCNC(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000669500950 1033038290 /nfs/dbraw/zinc/03/82/90/1033038290.db2.gz LPHSYXCQVUICJD-UHFFFAOYSA-N -1 0 332.322 3.558 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)c1[nH]c2ccc(F)cc2c1Cl)C(=O)[O-] ZINC000517376606 1022293609 /nfs/dbraw/zinc/29/36/09/1022293609.db2.gz CHVCPWCEYFSIDR-QPUJVOFHSA-N -1 0 340.782 3.580 20 0 EHADRM CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1cc(OC)ccc1OC ZINC000048492956 1022342794 /nfs/dbraw/zinc/34/27/94/1022342794.db2.gz MUBSAIRBCVXUPG-LBPRGKRZSA-N -1 0 343.445 3.565 20 0 EHADRM COc1ccc(C(C)(C)C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000237160130 1022406361 /nfs/dbraw/zinc/40/63/61/1022406361.db2.gz ULOLOGJTLVWWGX-AWNIVKPZSA-N -1 0 339.391 3.709 20 0 EHADRM CO[C@@](C)(C(=O)Nc1cc(Br)cc(Cl)c1[O-])C1CC1 ZINC000292003656 1022425647 /nfs/dbraw/zinc/42/56/47/1022425647.db2.gz XGOUJXIRIWNSSS-CYBMUJFWSA-N -1 0 348.624 3.562 20 0 EHADRM C[C@H](NC(=O)C1(C(=O)[O-])CCCC1)c1nc(-c2ccccc2)cs1 ZINC000517571282 1022465619 /nfs/dbraw/zinc/46/56/19/1022465619.db2.gz OGLZWTVPMSKPLV-LBPRGKRZSA-N -1 0 344.436 3.632 20 0 EHADRM c1cc(-c2n[nH]cc2CN=c2[n-]nc(CC3CCCCC3)o2)cs1 ZINC000548359122 1022483367 /nfs/dbraw/zinc/48/33/67/1022483367.db2.gz GCNPMEQTGYSCEK-UHFFFAOYSA-N -1 0 343.456 3.678 20 0 EHADRM COC(=O)[C@H]1CCC[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000330846697 1022696026 /nfs/dbraw/zinc/69/60/26/1022696026.db2.gz CFJDRECIQPQRMV-IUCAKERBSA-N -1 0 346.210 3.617 20 0 EHADRM O=C(N[C@H]1CC[C@H](Cc2ccccc2)C1)c1cc(F)c([O-])c(F)c1 ZINC000438686590 1022915657 /nfs/dbraw/zinc/91/56/57/1022915657.db2.gz OWKXBZVPVMIHCQ-HIFRSBDPSA-N -1 0 331.362 3.812 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)[C@H](C)C2 ZINC000184567484 1022960557 /nfs/dbraw/zinc/96/05/57/1022960557.db2.gz MLTJHRLOEHANKJ-ABKXIKBNSA-N -1 0 335.325 3.781 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N[C@@H]2CCc3ccc(F)cc32)s1 ZINC000518057442 1022962433 /nfs/dbraw/zinc/96/24/33/1022962433.db2.gz FRGBXBCPYLNCMX-CQSZACIVSA-N -1 0 348.447 3.812 20 0 EHADRM CC(C)Cn1cc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cn1 ZINC000438774201 1022987269 /nfs/dbraw/zinc/98/72/69/1022987269.db2.gz JELRBMURNIMWOA-UHFFFAOYSA-N -1 0 348.255 3.647 20 0 EHADRM Cc1cccc([C@H](NCc2nc3c(s2)C[C@H](C)CC3)C(=O)[O-])c1C ZINC000426729637 1022998191 /nfs/dbraw/zinc/99/81/91/1022998191.db2.gz FLIRRQLQYHMJRW-ZMZPIMSZSA-N -1 0 344.480 3.800 20 0 EHADRM CC1(C)Cc2cccc(CN[C@H](C(=O)[O-])c3c(F)cccc3F)c2O1 ZINC000426731258 1023002128 /nfs/dbraw/zinc/00/21/28/1023002128.db2.gz OGXRXINSZJQZQZ-INIZCTEOSA-N -1 0 347.361 3.594 20 0 EHADRM O=C([O-])[C@@H](NCc1ccc(Br)o1)c1cccc(Cl)c1 ZINC000426745873 1023014123 /nfs/dbraw/zinc/01/41/23/1023014123.db2.gz IGNFFJVVYJLEMJ-LBPRGKRZSA-N -1 0 344.592 3.611 20 0 EHADRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C[C@@H]1CCCC(C)(C)C1 ZINC000161768709 1023024246 /nfs/dbraw/zinc/02/42/46/1023024246.db2.gz JAXIXVCQVBTYEA-LBPRGKRZSA-N -1 0 347.484 3.550 20 0 EHADRM Cc1cc(CN[C@@H](C(=O)[O-])c2c(F)cccc2F)ccc1Cl ZINC000426757421 1023028307 /nfs/dbraw/zinc/02/83/07/1023028307.db2.gz ORGFLYYBRZZZBT-OAHLLOKOSA-N -1 0 325.742 3.842 20 0 EHADRM COc1ccccc1CN[C@@H](C(=O)[O-])c1c(Cl)cccc1Cl ZINC000426759172 1023028866 /nfs/dbraw/zinc/02/88/66/1023028866.db2.gz VUNOGHNNHGKUOY-OAHLLOKOSA-N -1 0 340.206 3.918 20 0 EHADRM O=C([O-])[C@H]([NH2+]Cc1ccc(Br)cc1)c1cccc(F)c1 ZINC000426762376 1023032418 /nfs/dbraw/zinc/03/24/18/1023032418.db2.gz JSUOAZMXEUEDSB-CQSZACIVSA-N -1 0 338.176 3.504 20 0 EHADRM COc1ccccc1[C@@H](NCc1cc2c(cc(C)cc2C)[nH]1)C(=O)[O-] ZINC000426766360 1023044529 /nfs/dbraw/zinc/04/45/29/1023044529.db2.gz ZYCUGSMFWQAPML-LJQANCHMSA-N -1 0 338.407 3.709 20 0 EHADRM COc1ccc2oc(CN[C@@H](CC(=O)[O-])c3ccc(C)o3)cc2c1 ZINC000426801390 1023055450 /nfs/dbraw/zinc/05/54/50/1023055450.db2.gz UJBTWBVMFAZZSW-HNNXBMFYSA-N -1 0 329.352 3.648 20 0 EHADRM O=C([O-])[C@H](NCc1nc(-c2ccccc2)cs1)c1cccc(F)c1 ZINC000426799635 1023055518 /nfs/dbraw/zinc/05/55/18/1023055518.db2.gz JBPKDCLSQPNAEG-QGZVFWFLSA-N -1 0 342.395 3.865 20 0 EHADRM CCC[C@@H](N=c1nc([C@H](C)OC)[n-]s1)c1ccc(F)cc1F ZINC000509582740 1023088771 /nfs/dbraw/zinc/08/87/71/1023088771.db2.gz IJSXPZATKMIIQC-TVQRCGJNSA-N -1 0 327.400 3.899 20 0 EHADRM Cc1ccc(S[C@@H](C)C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000507059575 1023092400 /nfs/dbraw/zinc/09/24/00/1023092400.db2.gz LEJNVFLVVFAYOP-AWEZNQCLSA-N -1 0 343.448 3.832 20 0 EHADRM Cc1noc(C)c1C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000189814448 1023106580 /nfs/dbraw/zinc/10/65/80/1023106580.db2.gz YKJRULPUVCRFAW-UHFFFAOYSA-N -1 0 348.815 3.639 20 0 EHADRM CC(C)c1nnc2ccc(NC(=O)c3cc(F)cc(Cl)c3[O-])cn21 ZINC000438888455 1023120208 /nfs/dbraw/zinc/12/02/08/1023120208.db2.gz SYSKXYUCPPVRJI-UHFFFAOYSA-N -1 0 348.765 3.603 20 0 EHADRM Cc1cc(C(=O)N([C@@H](C)C(=O)[O-])C2CC2)sc1-c1ccccc1 ZINC000518215656 1023135162 /nfs/dbraw/zinc/13/51/62/1023135162.db2.gz XVKOELPEXIDAJO-LBPRGKRZSA-N -1 0 329.421 3.801 20 0 EHADRM CCOc1cc(/C=C\c2cc(C(=O)[O-])ncn2)ccc1OCC(C)C ZINC000536387220 1023164051 /nfs/dbraw/zinc/16/40/51/1023164051.db2.gz PXGPRVJXLJUTSK-ALCCZGGFSA-N -1 0 342.395 3.779 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@@H]2CC[C@@H](c3ccccc3F)C2)s1 ZINC000431065373 1023187011 /nfs/dbraw/zinc/18/70/11/1023187011.db2.gz IRGIJUMITULQGJ-VXGBXAGGSA-N -1 0 348.447 3.509 20 0 EHADRM O=C(N=c1cc(-c2ccccc2)[nH][nH]1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000439017159 1023223620 /nfs/dbraw/zinc/22/36/20/1023223620.db2.gz ANLRAINPKZVRRK-ZFWWWQNUSA-N -1 0 339.345 3.519 20 0 EHADRM C[C@H](CSc1n[n-]c(=NCc2ccccc2)s1)C(F)(F)F ZINC000439045197 1023231116 /nfs/dbraw/zinc/23/11/16/1023231116.db2.gz WHTIFRQLGKCWLS-SECBINFHSA-N -1 0 333.404 3.863 20 0 EHADRM O=C([O-])[C@H]1CC[C@@H]1C(=O)Nc1ccccc1Nc1ccc(F)cc1F ZINC000507308605 1023238752 /nfs/dbraw/zinc/23/87/52/1023238752.db2.gz DTZTYBPLCNONHK-RYUDHWBXSA-N -1 0 346.333 3.758 20 0 EHADRM CCn1nccc1S(=O)(=O)[N-]c1ccc(-c2ccccc2)c(C)c1 ZINC000471926157 1023243075 /nfs/dbraw/zinc/24/30/75/1023243075.db2.gz ZVZYVVRNLOZBPE-UHFFFAOYSA-N -1 0 341.436 3.679 20 0 EHADRM O=C(Nc1cccc(NC(=O)C2CCCCC2)c1)c1ncccc1[O-] ZINC000427155242 1023249102 /nfs/dbraw/zinc/24/91/02/1023249102.db2.gz MPCNPOZTWMXLHE-UHFFFAOYSA-N -1 0 339.395 3.558 20 0 EHADRM CC(C)(C)c1csc([N-]S(=O)(=O)Cc2cccc(F)c2F)n1 ZINC000518376092 1023266002 /nfs/dbraw/zinc/26/60/02/1023266002.db2.gz XTMBCTYKLMWNRH-UHFFFAOYSA-N -1 0 346.424 3.661 20 0 EHADRM O=S(=O)([N-]c1cc(F)cc(F)c1F)c1c(F)cccc1Cl ZINC000431142338 1023327008 /nfs/dbraw/zinc/32/70/08/1023327008.db2.gz DVCAEAFPDBMLBE-UHFFFAOYSA-N -1 0 339.697 3.697 20 0 EHADRM O=C([O-])C/C(=C/c1cnn(CC(F)F)c1)c1nc2ccccc2s1 ZINC000431149882 1023342336 /nfs/dbraw/zinc/34/23/36/1023342336.db2.gz JHIMYOMRNSHIKR-WZUFQYTHSA-N -1 0 349.362 3.773 20 0 EHADRM Cc1[nH]c(CN2Cc3ccc(Br)cc3C2)c(C)c1C(=O)[O-] ZINC001140493961 1023350992 /nfs/dbraw/zinc/35/09/92/1023350992.db2.gz QGBVSKGPGOBSDW-UHFFFAOYSA-N -1 0 349.228 3.608 20 0 EHADRM CCCOc1ccc([N-]S(=O)(=O)c2ccc(C(F)F)o2)cc1F ZINC000634794357 1023835488 /nfs/dbraw/zinc/83/54/88/1023835488.db2.gz YGIPNZCJNVNUTR-UHFFFAOYSA-N -1 0 349.330 3.946 20 0 EHADRM COc1ccc(NS(=O)(=O)c2cc(F)cc(Cl)c2)c(C)c1 ZINC000535892107 1023963056 /nfs/dbraw/zinc/96/30/56/1023963056.db2.gz PFETZXQGMMSUIS-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2cccc3ccccc32)Cc2ccccc21 ZINC000326929268 1023967881 /nfs/dbraw/zinc/96/78/81/1023967881.db2.gz KCMFSFWPYCZDQA-LJQANCHMSA-N -1 0 331.371 3.664 20 0 EHADRM O=C([O-])C(=O)Nc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1 ZINC001143420536 1023988718 /nfs/dbraw/zinc/98/87/18/1023988718.db2.gz JWZIQXXRJISKQM-UHFFFAOYSA-N -1 0 347.370 3.956 20 0 EHADRM O=C(CCCOc1cccc2ccccc21)N=c1ccc(C2CC2)n[n-]1 ZINC000522541211 1024051404 /nfs/dbraw/zinc/05/14/04/1024051404.db2.gz YKSBQUITNJVDLZ-UHFFFAOYSA-N -1 0 347.418 3.727 20 0 EHADRM O=C([O-])c1c[nH]c2ccc(-c3ccccc3OC[C@H]3CCOC3)cc21 ZINC000657203639 1024083795 /nfs/dbraw/zinc/08/37/95/1024083795.db2.gz IEDCKEKSBMGVNQ-ZDUSSCGKSA-N -1 0 337.375 3.948 20 0 EHADRM CC(C)(C)C(=O)Nc1ccc(-c2ccc(CCC(=O)[O-])c(F)c2)cn1 ZINC000657205094 1024086511 /nfs/dbraw/zinc/08/65/11/1024086511.db2.gz ZFBUWFKGUHIQAB-UHFFFAOYSA-N -1 0 344.386 3.890 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N[C@H]2CC[C@H](C)c3ccccc32)s1 ZINC000443873245 1024087170 /nfs/dbraw/zinc/08/71/70/1024087170.db2.gz BHQZPPKAJMZCIN-GWCFXTLKSA-N -1 0 348.497 3.832 20 0 EHADRM CCCOc1ccc(-c2cncc([C@@H]3OCC[C@H]3C(=O)[O-])c2)c(F)c1 ZINC000657204891 1024088159 /nfs/dbraw/zinc/08/81/59/1024088159.db2.gz ZTSDXXIWSZBLLS-AEFFLSMTSA-N -1 0 345.370 3.839 20 0 EHADRM Cc1cc(-c2cc(C(F)(F)F)nn2C)c(C)cc1SCC(=O)[O-] ZINC000657205817 1024093400 /nfs/dbraw/zinc/09/34/00/1024093400.db2.gz LWKJMUFTUGZQKD-UHFFFAOYSA-N -1 0 344.358 3.899 20 0 EHADRM CC[C@H](Cc1ccccc1-c1cc(C(F)(F)F)nn1C)C(=O)[O-] ZINC000657205980 1024093952 /nfs/dbraw/zinc/09/39/52/1024093952.db2.gz RGKPOSLDBPXDBQ-SNVBAGLBSA-N -1 0 326.318 3.759 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000634815475 1024096082 /nfs/dbraw/zinc/09/60/82/1024096082.db2.gz URWXHARLKJWZTO-BMIGLBTASA-N -1 0 331.334 3.774 20 0 EHADRM CC(C)C[C@@](C)(CC(=O)[O-])C(=O)Nc1ccc(NC(=O)C(C)C)cc1 ZINC000634815548 1024096833 /nfs/dbraw/zinc/09/68/33/1024096833.db2.gz XRMRRVAYPAKEKY-IBGZPJMESA-N -1 0 348.443 3.747 20 0 EHADRM CC[C@@H](Cc1cccc(-c2cc(C(F)(F)F)nn2C)c1)C(=O)[O-] ZINC000657206056 1024104751 /nfs/dbraw/zinc/10/47/51/1024104751.db2.gz ZGLSWLMAINAYPF-NSHDSACASA-N -1 0 326.318 3.759 20 0 EHADRM COCc1ccccc1S(=O)(=O)[N-]c1ccc(C(C)(C)C)cc1O ZINC000443526642 1024104831 /nfs/dbraw/zinc/10/48/31/1024104831.db2.gz DZQBKFOWHVVXMZ-UHFFFAOYSA-N -1 0 349.452 3.637 20 0 EHADRM COCc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2O)cc1 ZINC000443532636 1024108652 /nfs/dbraw/zinc/10/86/52/1024108652.db2.gz SSHQNZYCVVFXBX-UHFFFAOYSA-N -1 0 349.452 3.637 20 0 EHADRM COc1ccc(-c2ccc(C3(C(=O)[O-])CCCC3)cc2)c(CO)c1 ZINC000657206899 1024114779 /nfs/dbraw/zinc/11/47/79/1024114779.db2.gz CEDBPRSSSCFUQT-UHFFFAOYSA-N -1 0 326.392 3.751 20 0 EHADRM C[C@@H](CCc1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)CC(=O)[O-] ZINC000657205443 1024122312 /nfs/dbraw/zinc/12/23/12/1024122312.db2.gz DXUYVMAUUHEQHR-AWEZNQCLSA-N -1 0 346.448 3.801 20 0 EHADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)c1oc2c(ccc3ccccc23)c1C ZINC000785092922 1024132859 /nfs/dbraw/zinc/13/28/59/1024132859.db2.gz IEFLMRWTUCNLAU-NSHDSACASA-N -1 0 345.420 3.753 20 0 EHADRM Cc1cc(-c2n[n-]c(=NCc3nc4c(s3)C[C@H](C)CC4)o2)c(C)o1 ZINC000351777806 1024134670 /nfs/dbraw/zinc/13/46/70/1024134670.db2.gz DXQHXHGIWWOSBT-SECBINFHSA-N -1 0 344.440 3.562 20 0 EHADRM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(F)(F)F ZINC000443931822 1024139814 /nfs/dbraw/zinc/13/98/14/1024139814.db2.gz WYAZXRMTKIZHTB-CPCISQLKSA-N -1 0 347.761 3.734 20 0 EHADRM CC(C)=CCSC[C@@H]([NH2+]Cc1c(F)cccc1Cl)C(=O)[O-] ZINC000417625458 1024187564 /nfs/dbraw/zinc/18/75/64/1024187564.db2.gz MGTRGLXUXPMEAZ-CQSZACIVSA-N -1 0 331.840 3.721 20 0 EHADRM COc1ccc(C[NH2+][C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1Cl ZINC000417632912 1024206815 /nfs/dbraw/zinc/20/68/15/1024206815.db2.gz TVMKJNSUZUWEHM-GDBMZVCRSA-N -1 0 331.799 3.751 20 0 EHADRM C[C@H](CNC(=O)c1cc(Cl)ccc1OC1CCCC1)CC(=O)[O-] ZINC000262206469 1024256030 /nfs/dbraw/zinc/25/60/30/1024256030.db2.gz KIDFSWBDSWXUCX-NSHDSACASA-N -1 0 339.819 3.502 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NCc2csc(C(C)(C)C)n2)c1 ZINC000277224361 1024259205 /nfs/dbraw/zinc/25/92/05/1024259205.db2.gz IAVAZGYZRCBSEB-HNNXBMFYSA-N -1 0 348.468 3.755 20 0 EHADRM Cc1ccc(C)c(C(=O)CCC(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000192870762 1024287731 /nfs/dbraw/zinc/28/77/31/1024287731.db2.gz GNPJONFJGVFSCN-UHFFFAOYSA-N -1 0 339.391 3.912 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CCC[C@H](O)c1ccccc1 ZINC000909517667 1024325995 /nfs/dbraw/zinc/32/59/95/1024325995.db2.gz VBHPNALWGXQEPO-SFHVURJKSA-N -1 0 341.407 3.844 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)N[C@H](C)CC3CCCCC3)cc2=O)cc1 ZINC000192552400 1024335668 /nfs/dbraw/zinc/33/56/68/1024335668.db2.gz SPKTVFHDBXFVKC-OAHLLOKOSA-N -1 0 341.455 3.563 20 0 EHADRM Cc1nc([C@H](C)Sc2n[n-]c(=Nc3cccc(C)c3)s2)no1 ZINC000430097960 1024360357 /nfs/dbraw/zinc/36/03/57/1024360357.db2.gz RGJXJRSAVNOBCE-VIFPVBQESA-N -1 0 333.442 3.557 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)N(c1ccccc1)c1ccccc1 ZINC000548561179 1024451298 /nfs/dbraw/zinc/45/12/98/1024451298.db2.gz NUFVZWVNWSCSCN-UHFFFAOYSA-N -1 0 326.396 3.987 20 0 EHADRM Cc1ccc(NC(=O)c2sccc2-n2cccc2)cc1C(=O)[O-] ZINC000320582001 1024471178 /nfs/dbraw/zinc/47/11/78/1024471178.db2.gz OKLKUGMZOFCLIG-UHFFFAOYSA-N -1 0 326.377 3.798 20 0 EHADRM CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000607615749 1033217117 /nfs/dbraw/zinc/21/71/17/1033217117.db2.gz MHCYPIPFRTUUBC-UHFFFAOYSA-N -1 0 341.379 3.943 20 0 EHADRM CC(C)(C)n1cc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)cn1 ZINC000065834037 1024552596 /nfs/dbraw/zinc/55/25/96/1024552596.db2.gz KDVYIMXKDLLSDZ-UHFFFAOYSA-N -1 0 348.255 3.746 20 0 EHADRM CS[C@@H](CNC(=O)CC1(CC(=O)[O-])CCCCC1)C(C)(C)C ZINC000342250189 1024573657 /nfs/dbraw/zinc/57/36/57/1024573657.db2.gz FOHHPEACHKUGGS-ZDUSSCGKSA-N -1 0 329.506 3.696 20 0 EHADRM Cc1ccc(C[C@H](C[NH2+]Cc2csc(C(C)(C)C)n2)C(=O)[O-])cc1 ZINC000277316458 1024586975 /nfs/dbraw/zinc/58/69/75/1024586975.db2.gz NSWUPPIKHZJMTJ-OAHLLOKOSA-N -1 0 346.496 3.782 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)s1 ZINC000320705638 1024599602 /nfs/dbraw/zinc/59/96/02/1024599602.db2.gz OTIGVBJOEOMQIZ-UHFFFAOYSA-N -1 0 333.438 3.556 20 0 EHADRM O=S(=O)(c1ccc(Cl)s1)C1=C([O-])c2ccccc2CCC1 ZINC000629169191 1024648279 /nfs/dbraw/zinc/64/82/79/1024648279.db2.gz OYDVEOLVQABGAA-LBPRGKRZSA-N -1 0 340.853 3.763 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)C[C@H]1CCC[C@H](C)C1 ZINC000514683224 1024653156 /nfs/dbraw/zinc/65/31/56/1024653156.db2.gz ALIPKYLFDMBHMY-AAEUAGOBSA-N -1 0 328.416 3.641 20 0 EHADRM Cc1n[n-]c(=NC(=O)N[C@@H](c2ccc(CC(C)C)cc2)C2CC2)s1 ZINC000510025284 1024662585 /nfs/dbraw/zinc/66/25/85/1024662585.db2.gz BLYFODFDCYJOEG-INIZCTEOSA-N -1 0 344.484 3.740 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)CC(C)(C)CC(F)F)cc1)C(=O)[O-] ZINC000909525358 1024663537 /nfs/dbraw/zinc/66/35/37/1024663537.db2.gz XCTRJOBAWHQZDR-LLVKDONJSA-N -1 0 327.371 3.960 20 0 EHADRM Cc1cc(NC(=O)C(C)(C)Oc2ccc(F)cc2)cc(C(=O)[O-])c1C ZINC000327332893 1024699007 /nfs/dbraw/zinc/69/90/07/1024699007.db2.gz DLQUHICWHCJOAH-UHFFFAOYSA-N -1 0 345.370 3.937 20 0 EHADRM O=C([O-])C1CCC(CC(=O)Nc2ccccc2OCC2CC2)CC1 ZINC000514733182 1024708303 /nfs/dbraw/zinc/70/83/03/1024708303.db2.gz PADQPRBRNLQYMG-UHFFFAOYSA-N -1 0 331.412 3.695 20 0 EHADRM Cc1nc2cc(Cl)c(NC(=O)N(C)CCCC(=O)[O-])cc2s1 ZINC000417795639 1024777651 /nfs/dbraw/zinc/77/76/51/1024777651.db2.gz OMKIKBHNNACWJO-UHFFFAOYSA-N -1 0 341.820 3.587 20 0 EHADRM O=C(Cc1nc(=O)c2sccc2[n-]1)c1cc(Cl)cc(Cl)c1 ZINC000120058523 1033240805 /nfs/dbraw/zinc/24/08/05/1033240805.db2.gz FZRXNJQPNKYGAZ-UHFFFAOYSA-N -1 0 339.203 3.717 20 0 EHADRM C[C@@H]1CCCC[C@@H]1NC(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000684711122 1024860956 /nfs/dbraw/zinc/86/09/56/1024860956.db2.gz PVVJQJKNKQKLMD-IWCQGFGOSA-N -1 0 330.428 3.565 20 0 EHADRM CC[C@H](NC(=O)N(C)[C@@H](CC(C)C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000684717146 1024929312 /nfs/dbraw/zinc/92/93/12/1024929312.db2.gz HOSHEMRDCRISMT-GJZGRUSLSA-N -1 0 340.851 3.932 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)Nc3ccc(C4CCC4)cc3)cc2=O)cc1 ZINC000428039041 1024942920 /nfs/dbraw/zinc/94/29/20/1024942920.db2.gz BRKWSEFWYXNKSE-UHFFFAOYSA-N -1 0 347.418 3.994 20 0 EHADRM CCC(CC)(C(=O)N(C)CCC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000428043021 1024955856 /nfs/dbraw/zinc/95/58/56/1024955856.db2.gz WRKZRNVFWKSQFY-UHFFFAOYSA-N -1 0 346.254 3.984 20 0 EHADRM Cc1cnn(C)c1S(=O)(=O)[N-]c1ccc(-c2ccccc2)c(C)c1 ZINC000508205589 1024961658 /nfs/dbraw/zinc/96/16/58/1024961658.db2.gz FWWNNVDHKZZGPB-UHFFFAOYSA-N -1 0 341.436 3.505 20 0 EHADRM CCCc1cc([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)n[nH]1 ZINC000474427857 1024964842 /nfs/dbraw/zinc/96/48/42/1024964842.db2.gz BSJPCIOAYBORQG-UHFFFAOYSA-N -1 0 348.255 3.778 20 0 EHADRM CC[C@@H](NC(=O)N(C)[C@H](CC(C)C)C(=O)[O-])c1cccc(Cl)c1 ZINC000684719191 1024969217 /nfs/dbraw/zinc/96/92/17/1024969217.db2.gz IAWNMWUIBPXKBG-HUUCEWRRSA-N -1 0 340.851 3.932 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)N(CC(=O)[O-])C2CCCCC2)c(C)s1 ZINC000684721130 1024994836 /nfs/dbraw/zinc/99/48/36/1024994836.db2.gz QOCHDCXWVZXMGB-GFCCVEGCSA-N -1 0 338.473 3.855 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)N[C@@H](C)c1oc2ccccc2c1C)C1CC1 ZINC000684722750 1025017354 /nfs/dbraw/zinc/01/73/54/1025017354.db2.gz JHGULWASXPMFGZ-WFASDCNBSA-N -1 0 344.411 3.839 20 0 EHADRM CC(C)Sc1ccc(C(=O)N=c2nc3ccc(Cl)cn3[n-]2)cc1 ZINC000508297797 1025019244 /nfs/dbraw/zinc/01/92/44/1025019244.db2.gz DYFHFMDZVBAYDK-UHFFFAOYSA-N -1 0 346.843 3.557 20 0 EHADRM C[C@@H](C(=O)NCCCCCCCC(=O)[O-])c1cn(C)c2ccccc12 ZINC000909468998 1025023084 /nfs/dbraw/zinc/02/30/84/1025023084.db2.gz ZHQKPAMEOFHPLS-OAHLLOKOSA-N -1 0 344.455 3.823 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N[C@H](c2ccccc2)C(C)C)s1 ZINC000515108405 1025025534 /nfs/dbraw/zinc/02/55/34/1025025534.db2.gz FSVPJDDLWIQPNE-LBPRGKRZSA-N -1 0 336.486 3.591 20 0 EHADRM O=S(=O)([N-]c1ccccn1)c1ccc(OCC2CCCCC2)cc1 ZINC000520879746 1025101281 /nfs/dbraw/zinc/10/12/81/1025101281.db2.gz QISPQGCEMPEZAR-UHFFFAOYSA-N -1 0 346.452 3.842 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)cn1 ZINC000431340505 1025111314 /nfs/dbraw/zinc/11/13/14/1025111314.db2.gz WSPNOBLCCFWUHM-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM COCCOCc1cccc(-c2nc(C(=O)[O-])c(C3CC3)s2)c1 ZINC000582073542 1025167680 /nfs/dbraw/zinc/16/76/80/1025167680.db2.gz HJWLYHBNWAWRLY-UHFFFAOYSA-N -1 0 333.409 3.549 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)cc2)cs1 ZINC000684742903 1025183627 /nfs/dbraw/zinc/18/36/27/1025183627.db2.gz XYDADKZWCAKBAK-CQSZACIVSA-N -1 0 347.440 3.739 20 0 EHADRM Oc1cccc(C[N@@H+]2CCC[C@H](c3ccccn3)C2)c1Br ZINC001140550006 1025196627 /nfs/dbraw/zinc/19/66/27/1025196627.db2.gz ANYNRGITUCVJQX-ZDUSSCGKSA-N -1 0 347.256 3.929 20 0 EHADRM CCOc1ccc(NC(=O)N2CCCCC[C@H]2C(=O)[O-])cc1Cl ZINC000684744551 1025197329 /nfs/dbraw/zinc/19/73/29/1025197329.db2.gz QDQSRCQXPWEWSL-ZDUSSCGKSA-N -1 0 340.807 3.600 20 0 EHADRM O=S(=O)([N-]c1nc2ccsc2s1)c1c(F)cccc1Cl ZINC000444045104 1025207404 /nfs/dbraw/zinc/20/74/04/1025207404.db2.gz LXPGISMOYIDAOR-UHFFFAOYSA-N -1 0 348.833 3.951 20 0 EHADRM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2c(F)cccc2Cl)n[nH]1 ZINC000444054906 1025211527 /nfs/dbraw/zinc/21/15/27/1025211527.db2.gz MIHLEQNJEOQTIZ-UHFFFAOYSA-N -1 0 345.827 3.592 20 0 EHADRM CCC(=O)Nc1cccc(CN=c2nc(C3CCCC3)[n-]s2)c1 ZINC000515411261 1025219247 /nfs/dbraw/zinc/21/92/47/1025219247.db2.gz GXTZLLNGPREKAT-UHFFFAOYSA-N -1 0 330.457 3.578 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)N(CC(=O)[O-])C2CCCCC2)c1 ZINC000684747441 1025238009 /nfs/dbraw/zinc/23/80/09/1025238009.db2.gz HLHHHAIPGAIHGP-CYBMUJFWSA-N -1 0 334.416 3.645 20 0 EHADRM Cc1nc2ccc(Nc3c(C)cc(C)cc3S(=O)(=O)[O-])cc2o1 ZINC001213067668 1025247870 /nfs/dbraw/zinc/24/78/70/1025247870.db2.gz QAHZVRJFJRBZQR-UHFFFAOYSA-N -1 0 332.381 3.743 20 0 EHADRM O=C(Cc1nc(=O)c2sc(-c3cccc(Cl)c3)cc2[n-]1)C1CC1 ZINC000119812678 1025266644 /nfs/dbraw/zinc/26/66/44/1025266644.db2.gz SXJQFBVKMCXVPW-UHFFFAOYSA-N -1 0 344.823 3.827 20 0 EHADRM CC[C@@H](CNC(=O)CC1CCC(C(=O)[O-])CC1)Oc1ccccc1C ZINC000515487444 1025295806 /nfs/dbraw/zinc/29/58/06/1025295806.db2.gz VISCQUHZOZFYGY-JCYILVPMSA-N -1 0 347.455 3.550 20 0 EHADRM CCCN(C(=O)Nc1cccc(COCC2CC2)c1)[C@H](CC)C(=O)[O-] ZINC000582106347 1025307328 /nfs/dbraw/zinc/30/73/28/1025307328.db2.gz YQSTUTISMMODEP-QGZVFWFLSA-N -1 0 348.443 3.720 20 0 EHADRM CCc1n[n-]c(=NC(=O)N2CCCCC[C@@H]2c2cccc(C)c2)s1 ZINC000522784484 1025320725 /nfs/dbraw/zinc/32/07/25/1025320725.db2.gz GAKFYLXOFXWPLT-OAHLLOKOSA-N -1 0 344.484 3.980 20 0 EHADRM Cc1ccc(C)c(C(=O)NCc2ccccc2OC(C)C)c1C(=O)[O-] ZINC000634818854 1025348068 /nfs/dbraw/zinc/34/80/68/1025348068.db2.gz YHMVXXVLFPYVPH-UHFFFAOYSA-N -1 0 341.407 3.719 20 0 EHADRM CO[C@@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2O)[C@H](C)C1 ZINC000281694227 1025381012 /nfs/dbraw/zinc/38/10/12/1025381012.db2.gz GJBQGCSABUCCDE-GDBMZVCRSA-N -1 0 341.407 3.824 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccc2ccccc2c1 ZINC000013464657 1025397439 /nfs/dbraw/zinc/39/74/39/1025397439.db2.gz GRZNJNLXRPETDH-UHFFFAOYSA-N -1 0 341.388 3.647 20 0 EHADRM C[C@H](NC(=O)N1CCCC[C@@H]1C(=O)[O-])c1cccc(Cl)c1Cl ZINC000521488413 1025415551 /nfs/dbraw/zinc/41/55/51/1025415551.db2.gz AFUIINMIMFCVOA-JOYOIKCWSA-N -1 0 345.226 3.703 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C(C)C)s2)c1 ZINC000521529885 1025444220 /nfs/dbraw/zinc/44/42/20/1025444220.db2.gz SGALAWLBTZYNDO-CQSZACIVSA-N -1 0 347.436 3.826 20 0 EHADRM Cc1ccsc1CCCC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000909488547 1025459592 /nfs/dbraw/zinc/45/95/92/1025459592.db2.gz ACMADRXGINOSHM-AWEZNQCLSA-N -1 0 337.485 3.729 20 0 EHADRM COc1cc(C)c([N-]S(=O)(=O)c2sccc2F)c(C)c1C ZINC000451050075 1025470254 /nfs/dbraw/zinc/47/02/54/1025470254.db2.gz PDDGGFJDDSVKEO-UHFFFAOYSA-N -1 0 329.418 3.622 20 0 EHADRM CC(C)c1ncsc1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000451106261 1025540685 /nfs/dbraw/zinc/54/06/85/1025540685.db2.gz XTGAHOAIDSSVMK-UHFFFAOYSA-N -1 0 334.825 3.860 20 0 EHADRM Cc1ccc(Cc2nnc([N-]C(=O)c3cc(C4CC4)no3)s2)cc1 ZINC000281816114 1025555689 /nfs/dbraw/zinc/55/56/89/1025555689.db2.gz WKIIISDCLXQPJJ-UHFFFAOYSA-N -1 0 340.408 3.555 20 0 EHADRM CC(C)c1ncsc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000451101591 1025562384 /nfs/dbraw/zinc/56/23/84/1025562384.db2.gz DZYMHJXXORRAEH-UHFFFAOYSA-N -1 0 334.825 3.860 20 0 EHADRM Cc1ncc(S(=O)(=O)N[C@H]2CCC[C@@H](C(C)(C)C)CC2)s1 ZINC001211541221 1025601324 /nfs/dbraw/zinc/60/13/24/1025601324.db2.gz PQJIJDZVLSNDHD-OLZOCXBDSA-N -1 0 330.519 3.725 20 0 EHADRM C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)N=c1[n-]ncs1 ZINC000521766596 1025662953 /nfs/dbraw/zinc/66/29/53/1025662953.db2.gz AJNGJOIIDYLDSL-LBPRGKRZSA-N -1 0 344.465 3.817 20 0 EHADRM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1cncc(O)c1 ZINC000179321320 1025681290 /nfs/dbraw/zinc/68/12/90/1025681290.db2.gz FMMFSLSJYQWTJS-UHFFFAOYSA-N -1 0 333.558 3.705 20 0 EHADRM COC[C@@H](N=c1nc(-c2ccccc2)o[n-]1)c1cccc(Cl)c1 ZINC000515906495 1025732763 /nfs/dbraw/zinc/73/27/63/1025732763.db2.gz UJUYPKNYVCFMKQ-OAHLLOKOSA-N -1 0 329.787 3.612 20 0 EHADRM CSc1ccccc1[N-]S(=O)(=O)c1cnc2ccc(F)cc2c1 ZINC000436478983 1025756369 /nfs/dbraw/zinc/75/63/69/1025756369.db2.gz OXOKTCFGUPRSCQ-UHFFFAOYSA-N -1 0 348.424 3.897 20 0 EHADRM CCCC[C@H](NC(=O)C1(c2ccc(OC)cc2)CCCCC1)C(=O)[O-] ZINC000347260315 1025756457 /nfs/dbraw/zinc/75/64/57/1025756457.db2.gz MKMJTUWHSHSYPL-KRWDZBQOSA-N -1 0 347.455 3.657 20 0 EHADRM C=Cc1ccc(S(=O)(=O)Nc2ccc(CCCC(=O)[O-])cc2)cc1 ZINC000436477303 1025771092 /nfs/dbraw/zinc/77/10/92/1025771092.db2.gz LWAXHSOCNIWDHL-UHFFFAOYSA-N -1 0 345.420 3.538 20 0 EHADRM CC[C@@H](C)OCC(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000342481273 1025796700 /nfs/dbraw/zinc/79/67/00/1025796700.db2.gz WWBQNCLPFQNTIA-SSDOTTSWSA-N -1 0 336.613 3.562 20 0 EHADRM Cc1cc(Cl)c(C(=O)[O-])cc1NS(=O)(=O)CCCC(C)(C)C ZINC000582304128 1025799729 /nfs/dbraw/zinc/79/97/29/1025799729.db2.gz AZHRWSCHJDKEQD-UHFFFAOYSA-N -1 0 347.864 3.915 20 0 EHADRM CCCCO[C@H]1C[C@@H](N(C)C(=O)c2cc(F)c([O-])c(F)c2)C1(C)C ZINC000436521738 1025820291 /nfs/dbraw/zinc/82/02/91/1025820291.db2.gz HAAUMPYDMWMNTN-CABCVRRESA-N -1 0 341.398 3.726 20 0 EHADRM COC(=O)c1cc(C(C)C)ccc1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000436523810 1025824302 /nfs/dbraw/zinc/82/43/02/1025824302.db2.gz WQHCMRMEKGILCH-UHFFFAOYSA-N -1 0 349.333 3.833 20 0 EHADRM Cc1ccc(CSCCNC(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000436532302 1025842356 /nfs/dbraw/zinc/84/23/56/1025842356.db2.gz FXLWBFUDMNYXBZ-UHFFFAOYSA-N -1 0 337.391 3.642 20 0 EHADRM O=C(N=c1nc(-c2cccc(Cl)c2)[n-]s1)N1C[C@H]2CCC[C@@H]2C1 ZINC000329433597 1025844182 /nfs/dbraw/zinc/84/41/82/1025844182.db2.gz LDTVOFOZEFTNBV-VXGBXAGGSA-N -1 0 348.859 3.544 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2cnn(CC(F)(F)F)c2)c(O)c1 ZINC000436535425 1025844439 /nfs/dbraw/zinc/84/44/39/1025844439.db2.gz KLUCNWFNYLODRW-UHFFFAOYSA-N -1 0 327.306 3.527 20 0 EHADRM COC(=O)c1ccc(O)c(NC(=O)c2ccc3sccc3c2)c1 ZINC000436517441 1025848690 /nfs/dbraw/zinc/84/86/90/1025848690.db2.gz ZSRNAJPCXTWWPC-UHFFFAOYSA-N -1 0 327.361 3.646 20 0 EHADRM CC[C@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C[C@H](C)O1 ZINC000436547731 1025851018 /nfs/dbraw/zinc/85/10/18/1025851018.db2.gz PONDAJPQGFODCE-RYUDHWBXSA-N -1 0 333.815 3.838 20 0 EHADRM Cc1cc(CNC(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])on1 ZINC000436550112 1025854916 /nfs/dbraw/zinc/85/49/16/1025854916.db2.gz ICUUEOSILHEDHP-UHFFFAOYSA-N -1 0 342.782 3.939 20 0 EHADRM COc1ccccc1-c1csc(NC(=O)c2ccc(F)cc2[O-])n1 ZINC000436553064 1025856939 /nfs/dbraw/zinc/85/69/39/1025856939.db2.gz FWWXJQNMHROQCN-UHFFFAOYSA-N -1 0 344.367 3.916 20 0 EHADRM Cc1cc(O)c(C(C)C)cc1C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000436543146 1025874263 /nfs/dbraw/zinc/87/42/63/1025874263.db2.gz GPQSASXFDXPFJJ-UHFFFAOYSA-N -1 0 333.457 3.647 20 0 EHADRM CC(C)COc1ccc(C(C)(C)C(=O)[N-]OCc2ccccn2)cc1 ZINC000909535383 1025884310 /nfs/dbraw/zinc/88/43/10/1025884310.db2.gz WLPCGFWDORLIFA-UHFFFAOYSA-N -1 0 342.439 3.642 20 0 EHADRM O=C(N[C@@H]1CC[C@@H](c2ccccc2F)C1)c1cc(F)c([O-])c(F)c1 ZINC000436593147 1025910525 /nfs/dbraw/zinc/91/05/25/1025910525.db2.gz ASQPCXGWKRRUGK-ZYHUDNBSSA-N -1 0 335.325 3.876 20 0 EHADRM CN(Cc1cccc2[nH]ccc21)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436608872 1025940075 /nfs/dbraw/zinc/94/00/75/1025940075.db2.gz QYKYJLSNWRBANX-UHFFFAOYSA-N -1 0 332.762 3.938 20 0 EHADRM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000436639778 1025970427 /nfs/dbraw/zinc/97/04/27/1025970427.db2.gz RJIJDMRAYQPAHR-FVMDXXJSSA-N -1 0 335.325 3.863 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C[C@H]2CCO[C@@H](C(C)C)C2)c1 ZINC000436650290 1025978949 /nfs/dbraw/zinc/97/89/49/1025978949.db2.gz YSESMLVMTKJCRC-SCLBCKFNSA-N -1 0 333.428 3.765 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)COc2ccc(Cl)cc2C)c1 ZINC000436652763 1025980740 /nfs/dbraw/zinc/98/07/40/1025980740.db2.gz QPSFEQUXFLBGTQ-UHFFFAOYSA-N -1 0 347.798 3.964 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1cccc2c1OC(C)(C)C2 ZINC000530540564 1025993973 /nfs/dbraw/zinc/99/39/73/1025993973.db2.gz OOHRCVZMNZKDRO-UHFFFAOYSA-N -1 0 349.477 3.923 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)Cc2c[nH]c3cccc(C)c23)c1 ZINC000436646275 1025996068 /nfs/dbraw/zinc/99/60/68/1025996068.db2.gz NVGDIVWIRXCPSL-UHFFFAOYSA-N -1 0 336.391 3.956 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccc(C(C)=O)cc2F)c1 ZINC000436647624 1025997881 /nfs/dbraw/zinc/99/78/81/1025997881.db2.gz RCXJAASVIDGUCN-UHFFFAOYSA-N -1 0 329.327 3.579 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccnc(O[C@H](C)CC)c2)c1 ZINC000436648753 1025998788 /nfs/dbraw/zinc/99/87/88/1025998788.db2.gz UWEQDEVUNHPTQM-GFCCVEGCSA-N -1 0 342.395 3.810 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cccnc2OCC(C)C)c1 ZINC000436648795 1025999432 /nfs/dbraw/zinc/99/94/32/1025999432.db2.gz UYUUDAUUGFYAJD-UHFFFAOYSA-N -1 0 342.395 3.667 20 0 EHADRM Cc1ccc(-c2n[nH]c(=S)n2CC(=O)N(C)C2CCCCC2)cc1 ZINC000017356989 1026018895 /nfs/dbraw/zinc/01/88/95/1026018895.db2.gz YKYIGXQHWGEVSC-UHFFFAOYSA-N -1 0 344.484 3.707 20 0 EHADRM CCCOc1ccc(S(=O)(=O)[N-]c2ncccc2C(C)C)cc1 ZINC000443425209 1026023516 /nfs/dbraw/zinc/02/35/16/1026023516.db2.gz XTPFPIRYIGALLY-UHFFFAOYSA-N -1 0 334.441 3.795 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)C2(c3ccc(F)cc3F)CCC2)c1 ZINC000436679918 1026029928 /nfs/dbraw/zinc/02/99/28/1026029928.db2.gz LJGVPHNMEQJODD-UHFFFAOYSA-N -1 0 345.345 3.933 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)COc2ccc(C(C)(C)C)cc2)c1 ZINC000436679525 1026030431 /nfs/dbraw/zinc/03/04/31/1026030431.db2.gz KGJBRQGUTPTSCL-UHFFFAOYSA-N -1 0 341.407 3.910 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cc(F)c(Cl)cc2F)c1 ZINC000436681163 1026034141 /nfs/dbraw/zinc/03/41/41/1026034141.db2.gz QFCBEDCPSFHTLV-UHFFFAOYSA-N -1 0 325.698 3.779 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ncccc2C(C)C)c1 ZINC000443433459 1026035105 /nfs/dbraw/zinc/03/51/05/1026035105.db2.gz ZZZVBCOPLVTJMQ-UHFFFAOYSA-N -1 0 340.832 3.668 20 0 EHADRM CC(C)Oc1ncccc1-c1noc(-c2cc(Cl)ccc2[O-])n1 ZINC000436685378 1026040297 /nfs/dbraw/zinc/04/02/97/1026040297.db2.gz BPMWBDBYIIJLHU-UHFFFAOYSA-N -1 0 331.759 3.945 20 0 EHADRM O=S(=O)(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1sccc1Cl ZINC000451508448 1026057175 /nfs/dbraw/zinc/05/71/75/1026057175.db2.gz WVGXGTZBQZWBGQ-UMSPYCQHSA-N -1 0 345.848 3.765 20 0 EHADRM C[C@H](N=c1nc(C(C)(C)C)[n-]s1)c1ccc(-n2cccn2)c(F)c1 ZINC000436717766 1026087322 /nfs/dbraw/zinc/08/73/22/1026087322.db2.gz CWEVYGJLXCHKBQ-NSHDSACASA-N -1 0 345.447 3.755 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccc(OC(C)(C)C)cn2)c1 ZINC000436764051 1026132628 /nfs/dbraw/zinc/13/26/28/1026132628.db2.gz JOPPTKPEWNCCIQ-UHFFFAOYSA-N -1 0 342.395 3.810 20 0 EHADRM Brc1cccc([C@@H]2C[C@H]2N=c2nc(C3CC3)[n-]s2)c1 ZINC000530696799 1026225638 /nfs/dbraw/zinc/22/56/38/1026225638.db2.gz RPFQSBFDHAURMU-NWDGAFQWSA-N -1 0 336.258 3.568 20 0 EHADRM Brc1cccc([C@@H]2C[C@@H]2N=c2nc(C3CC3)[n-]s2)c1 ZINC000530697088 1026225963 /nfs/dbraw/zinc/22/59/63/1026225963.db2.gz RPFQSBFDHAURMU-RYUDHWBXSA-N -1 0 336.258 3.568 20 0 EHADRM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccc(C(C)C)c1 ZINC000530716972 1026242289 /nfs/dbraw/zinc/24/22/89/1026242289.db2.gz KYSVYYZJIQURIY-UHFFFAOYSA-N -1 0 347.436 3.871 20 0 EHADRM CCOc1cc(-c2ccccc2)sc1C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000237065716 1026255811 /nfs/dbraw/zinc/25/58/11/1026255811.db2.gz MTGZLSDEACXSJN-GFCCVEGCSA-N -1 0 347.436 3.607 20 0 EHADRM CO[C@@H](C)c1nc(=NC(=O)CCc2ccc(C(C)(C)C)cc2)s[n-]1 ZINC000511129428 1026311366 /nfs/dbraw/zinc/31/13/66/1026311366.db2.gz BTFXRPWMWVSBJU-LBPRGKRZSA-N -1 0 347.484 3.536 20 0 EHADRM CCCOc1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)c(C)c1 ZINC000511131428 1026358229 /nfs/dbraw/zinc/35/82/29/1026358229.db2.gz QMJJBPKLRFHXQO-UHFFFAOYSA-N -1 0 341.379 3.863 20 0 EHADRM CCCN=c1[n-]nc(S[C@@H](C)C(=O)C2(c3ccccc3)CC2)s1 ZINC000582479813 1026389603 /nfs/dbraw/zinc/38/96/03/1026389603.db2.gz TZKROZRSIKFPGJ-LBPRGKRZSA-N -1 0 347.509 3.563 20 0 EHADRM CCOc1ccc(F)c(C(=O)[O-])c1NC(=O)N(C)C(C)(C)CC ZINC000684894920 1026445000 /nfs/dbraw/zinc/44/50/00/1026445000.db2.gz KDOSQJZTSTTYSD-UHFFFAOYSA-N -1 0 326.368 3.575 20 0 EHADRM CC(C)CC[C@H](O)CSc1n[n-]c(=NC2CCCCC2)s1 ZINC000481707123 1026474927 /nfs/dbraw/zinc/47/49/27/1026474927.db2.gz MWCZWJHVNJFFAT-ZDUSSCGKSA-N -1 0 329.535 3.594 20 0 EHADRM Cc1nc(S(=O)(=O)[N-]c2ccccc2Oc2cccc(C)c2)c[nH]1 ZINC000324913008 1026486444 /nfs/dbraw/zinc/48/64/44/1026486444.db2.gz JSTATBWWYUUIRG-UHFFFAOYSA-N -1 0 343.408 3.620 20 0 EHADRM Cc1ccc(C[S@](=O)[C@H](CC(C)C)C(=O)[O-])cc1Br ZINC000582531292 1026507160 /nfs/dbraw/zinc/50/71/60/1026507160.db2.gz MKAZQRQBUCJNKH-YJYMSZOUSA-N -1 0 347.274 3.506 20 0 EHADRM Cc1ccc(NC(=O)CC2(C(=O)[O-])CCC2)cc1NC(=O)C(C)(C)C ZINC000262474161 1026507881 /nfs/dbraw/zinc/50/78/81/1026507881.db2.gz HFAAOSIYOZDJNY-UHFFFAOYSA-N -1 0 346.427 3.563 20 0 EHADRM Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2ccc(F)c(F)c2)s1 ZINC000122502782 1026515880 /nfs/dbraw/zinc/51/58/80/1026515880.db2.gz RIZLHGLVTRUDMF-UHFFFAOYSA-N -1 0 346.424 3.729 20 0 EHADRM Cc1sc(N[C@H]2c3ccccc3CC23CCOCC3)nc1C(=O)[O-] ZINC000582549370 1026541979 /nfs/dbraw/zinc/54/19/79/1026541979.db2.gz XTOLIGMDCVVOAZ-HNNXBMFYSA-N -1 0 344.436 3.656 20 0 EHADRM O=C([O-])C1(CC(=O)NCc2cccc(Oc3ccccc3)c2)CCC1 ZINC000262486128 1026587975 /nfs/dbraw/zinc/58/79/75/1026587975.db2.gz INPWJUBCAFQCEX-UHFFFAOYSA-N -1 0 339.391 3.740 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1sccc1-n1cccc1 ZINC000192893553 1026596754 /nfs/dbraw/zinc/59/67/54/1026596754.db2.gz LJTNXNCGTJINRJ-UHFFFAOYSA-N -1 0 340.404 3.509 20 0 EHADRM O=C(Nc1cc2c(cc1Cl)OCCO2)c1ccc([O-])c(Cl)c1 ZINC000192942689 1026648285 /nfs/dbraw/zinc/64/82/85/1026648285.db2.gz JSKULBLCRFWKEN-UHFFFAOYSA-N -1 0 340.162 3.723 20 0 EHADRM CC(C)C[C@@]1(C)CCCN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000452509147 1026783913 /nfs/dbraw/zinc/78/39/13/1026783913.db2.gz HVONJUAATMUQIB-LJQANCHMSA-N -1 0 327.428 3.619 20 0 EHADRM CC(C)C[C@H]1CCCN1C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000531341744 1026828003 /nfs/dbraw/zinc/82/80/03/1026828003.db2.gz GTEODXBPHNIBOA-CQSZACIVSA-N -1 0 330.457 3.669 20 0 EHADRM CC(C)c1nc(=N[C@@H]2COc3c2ccc(Cl)c3Cl)s[n-]1 ZINC000531408053 1026885866 /nfs/dbraw/zinc/88/58/66/1026885866.db2.gz NLFKDPSLZQPMHS-SECBINFHSA-N -1 0 330.240 3.936 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000531425616 1026899179 /nfs/dbraw/zinc/89/91/79/1026899179.db2.gz HSECVAPGTPHCQW-UHFFFAOYSA-N -1 0 348.381 3.593 20 0 EHADRM COc1cc(C(=O)[O-])sc1-c1ccccc1OC[C@H]1CCOC1 ZINC000563437483 1026955923 /nfs/dbraw/zinc/95/59/23/1026955923.db2.gz KPNBGSJSPGDGAG-NSHDSACASA-N -1 0 334.393 3.537 20 0 EHADRM CC(C)[C@H]1C[C@@H](CNC(=O)c2c([O-])cc(Cl)cc2Cl)CCO1 ZINC000452840737 1027035800 /nfs/dbraw/zinc/03/58/00/1027035800.db2.gz PUVWJPAQEJCBIR-IINYFYTJSA-N -1 0 346.254 3.880 20 0 EHADRM CSc1ccc(C)c([N-]S(=O)(=O)c2cncc(Cl)c2)c1 ZINC000342785474 1027038576 /nfs/dbraw/zinc/03/85/76/1027038576.db2.gz VEJICRPCQDWDEV-UHFFFAOYSA-N -1 0 328.846 3.566 20 0 EHADRM CCc1cccc(CC)c1S(=O)(=O)[N-]c1cnc(C)nc1C1CC1 ZINC000685007860 1027042876 /nfs/dbraw/zinc/04/28/76/1027042876.db2.gz UXVFSLRZURMLTL-UHFFFAOYSA-N -1 0 345.468 3.588 20 0 EHADRM CCc1ccccc1NC(=O)c1ccc(-n2ncc(C(=O)[O-])c2C)cc1 ZINC000237029505 1027121387 /nfs/dbraw/zinc/12/13/87/1027121387.db2.gz HYIQTUJNKHVZCH-UHFFFAOYSA-N -1 0 349.390 3.694 20 0 EHADRM C[C@H](O)[C@H]1CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])C1 ZINC000272844145 1027143734 /nfs/dbraw/zinc/14/37/34/1027143734.db2.gz RCMRMRLCXJEYQD-JSGCOSHPSA-N -1 0 345.826 3.556 20 0 EHADRM COc1ccc(Cn2ccc([N-]c3nc(C(C)C)ns3)n2)cc1 ZINC000302481027 1027163838 /nfs/dbraw/zinc/16/38/38/1027163838.db2.gz XRYZXCLGRMIJHX-UHFFFAOYSA-N -1 0 329.429 3.659 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000531695233 1027212778 /nfs/dbraw/zinc/21/27/78/1027212778.db2.gz BNQGRKFAAVSGLA-UHFFFAOYSA-N -1 0 328.441 3.608 20 0 EHADRM CC(C)Cc1ccc(CC(=O)Nc2cccc(OCC(=O)[O-])c2)cc1 ZINC000531746417 1027298742 /nfs/dbraw/zinc/29/87/42/1027298742.db2.gz CTCVWPBQVHHPAT-UHFFFAOYSA-N -1 0 341.407 3.530 20 0 EHADRM c1ccc(-c2nc(=NCCc3cccc4cccnc43)s[n-]2)cc1 ZINC000501533049 1027347457 /nfs/dbraw/zinc/34/74/57/1027347457.db2.gz HQTWCETWHMCTPN-UHFFFAOYSA-N -1 0 332.432 3.830 20 0 EHADRM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000014255590 1027409699 /nfs/dbraw/zinc/40/96/99/1027409699.db2.gz RFWGMGDIAZAWRV-UHFFFAOYSA-N -1 0 325.380 3.890 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000414451382 1027481767 /nfs/dbraw/zinc/48/17/67/1027481767.db2.gz NKTYJOWKQPGGNH-IGJMFERPSA-N -1 0 342.222 3.598 20 0 EHADRM C[C@@H](NC(=O)C1(CC(=O)[O-])CCC1)c1cc(F)c(Cl)cc1Cl ZINC000564982291 1027587735 /nfs/dbraw/zinc/58/77/35/1027587735.db2.gz ZFLLBWJHHWJTDL-MRVPVSSYSA-N -1 0 348.201 3.955 20 0 EHADRM OCCC[C@@H](N=c1nc(C2CCCCC2)[n-]s1)c1ccccc1 ZINC000420602297 1027639003 /nfs/dbraw/zinc/63/90/03/1027639003.db2.gz OKPRLNLHQXZJAM-MRXNPFEDSA-N -1 0 331.485 3.933 20 0 EHADRM O=C([O-])C1(CC(=O)NCc2ccc(Cl)cc2F)CCCCCC1 ZINC000487496654 1027644357 /nfs/dbraw/zinc/64/43/57/1027644357.db2.gz IEQSSKAASUTHHA-UHFFFAOYSA-N -1 0 341.810 3.911 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC000262531402 1027756114 /nfs/dbraw/zinc/75/61/14/1027756114.db2.gz PPIOGXKGVZEBEK-ZDUSSCGKSA-N -1 0 329.371 3.958 20 0 EHADRM CC1(C)[C@@H](c2ccccc2)CCN1C(=O)NCCCCCC(=O)[O-] ZINC000422589488 1027800996 /nfs/dbraw/zinc/80/09/96/1027800996.db2.gz MUVVVOTULVIYRZ-MRXNPFEDSA-N -1 0 332.444 3.609 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cccc(OC2CCCCC2)c1 ZINC000422581493 1027805837 /nfs/dbraw/zinc/80/58/37/1027805837.db2.gz QCWVEXKZJSLCHA-ZBFHGGJFSA-N -1 0 345.439 3.723 20 0 EHADRM Cc1c(Cl)cc(NC(=O)N2CCCC[C@H]2C(=O)[O-])cc1Cl ZINC000574473750 1027834317 /nfs/dbraw/zinc/83/43/17/1027834317.db2.gz AANJXLVDBYWBGT-LBPRGKRZSA-N -1 0 331.199 3.773 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)o1 ZINC000643429323 1027939457 /nfs/dbraw/zinc/93/94/57/1027939457.db2.gz RMHRNPJTUAXCDU-ABAIWWIYSA-N -1 0 345.370 3.741 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc(-n3cnc4ccccc43)cc2)CCC1 ZINC000262554113 1027983225 /nfs/dbraw/zinc/98/32/25/1027983225.db2.gz UMXVQGZAJCBHAV-UHFFFAOYSA-N -1 0 349.390 3.609 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N(C2CC2)[C@@H]2CCc3ccccc32)CC1 ZINC000582847589 1027999266 /nfs/dbraw/zinc/99/92/66/1027999266.db2.gz XPMQLTGTEFAVHA-GSQSYGFSSA-N -1 0 341.451 3.946 20 0 EHADRM Cc1cc([C@@H]2CN(C(=O)c3ccc([O-])c(Cl)c3)CCO2)ccc1F ZINC000135265965 1028177646 /nfs/dbraw/zinc/17/76/46/1028177646.db2.gz VPNCDXDEUWEGFB-KRWDZBQOSA-N -1 0 349.789 3.707 20 0 EHADRM N#Cc1ccc(C(=O)[O-])nc1/C=C/c1ccc(Br)s1 ZINC000078753593 1028190832 /nfs/dbraw/zinc/19/08/32/1028190832.db2.gz TXJOFVCEPIGUFT-GORDUTHDSA-N -1 0 335.182 3.646 20 0 EHADRM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cccc2c1OCC2 ZINC000421238164 1028197434 /nfs/dbraw/zinc/19/74/34/1028197434.db2.gz RYHURSGVMOZLFF-UHFFFAOYSA-N -1 0 331.437 3.854 20 0 EHADRM CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000614852838 1028211766 /nfs/dbraw/zinc/21/17/66/1028211766.db2.gz SZJWPYDJGHNHFC-UHFFFAOYSA-N -1 0 335.425 3.593 20 0 EHADRM COc1ccccc1-n1nccc1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211963065 1028219262 /nfs/dbraw/zinc/21/92/62/1028219262.db2.gz VYIXBPCYDWRFQS-UHFFFAOYSA-N -1 0 343.770 3.976 20 0 EHADRM CCSc1cccc(F)c1[N-]S(=O)(=O)C[C@H](CC(C)C)OC ZINC000421244437 1028227057 /nfs/dbraw/zinc/22/70/57/1028227057.db2.gz GBRJJPBPCSHKDH-LBPRGKRZSA-N -1 0 349.493 3.741 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N=c2nc(-c3ccsc3)[n-]s2)nc1 ZINC000421462453 1028261864 /nfs/dbraw/zinc/26/18/64/1028261864.db2.gz UGPVOQBKZAFFSZ-UHFFFAOYSA-N -1 0 344.465 3.633 20 0 EHADRM O=S(=O)([N-][C@H](C1CC1)C(F)(F)F)c1ccc(Cl)cc1Cl ZINC000582927355 1028282100 /nfs/dbraw/zinc/28/21/00/1028282100.db2.gz BZLXDDQTZOISLC-SNVBAGLBSA-N -1 0 348.173 3.613 20 0 EHADRM COCCc1nc(=N[C@@H](CC2CCCC2)c2ccccc2)s[n-]1 ZINC000444827179 1028310920 /nfs/dbraw/zinc/31/09/20/1028310920.db2.gz OMVQNGCQSFSLLV-INIZCTEOSA-N -1 0 331.485 3.882 20 0 EHADRM CC(C)[C@@H]1CCCN(C(=O)N=c2[n-]nc(/C=C/c3ccco3)s2)C1 ZINC000444871249 1028349401 /nfs/dbraw/zinc/34/94/01/1028349401.db2.gz IPNLHKAQBAJPRX-SBDDDAINSA-N -1 0 346.456 3.623 20 0 EHADRM CC[C@@H](C)c1cc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)on1 ZINC000139263511 1028383523 /nfs/dbraw/zinc/38/35/23/1028383523.db2.gz QFKZWWMNUDZMOI-TZMCWYRMSA-N -1 0 330.384 3.524 20 0 EHADRM Cc1ccc2nc(C)c(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)cc2c1 ZINC000237898434 1028389521 /nfs/dbraw/zinc/38/95/21/1028389521.db2.gz NUXNEGOIHOOTMK-OAHLLOKOSA-N -1 0 340.423 3.569 20 0 EHADRM COCCOc1cccc(F)c1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211969653 1028438999 /nfs/dbraw/zinc/43/89/99/1028438999.db2.gz TZLPHIJCIOCZHB-UHFFFAOYSA-N -1 0 339.750 3.946 20 0 EHADRM Cc1ccccc1OCCCC(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000327301371 1028449076 /nfs/dbraw/zinc/44/90/76/1028449076.db2.gz QNDHYVFFFHUNAI-RAXLEYEMSA-N -1 0 339.391 3.891 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N[C@@H]2CCC[C@H]2c2ccccc2)s1 ZINC000523586956 1028454726 /nfs/dbraw/zinc/45/47/26/1028454726.db2.gz DJZPIZRLGJNOQN-LSDHHAIUSA-N -1 0 344.484 3.760 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1Cl)S(=O)(=O)c1n[nH]c(C2CC2)n1 ZINC000194816170 1028551849 /nfs/dbraw/zinc/55/18/49/1028551849.db2.gz YGGCLLZAGHDZPU-ZETCQYMHSA-N -1 0 346.239 3.524 20 0 EHADRM O=C(Nc1c[nH]nc1-c1ccccc1)c1cc(F)c([O-])c(Cl)c1 ZINC000194925692 1028560980 /nfs/dbraw/zinc/56/09/80/1028560980.db2.gz YULSWGMTRAPXMB-UHFFFAOYSA-N -1 0 331.734 3.827 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)CSCc1ccc(Cl)cc1 ZINC000236715139 1028574895 /nfs/dbraw/zinc/57/48/95/1028574895.db2.gz LWFCEXGUTODJRJ-UHFFFAOYSA-N -1 0 343.876 3.533 20 0 EHADRM CC(C)Oc1ccc([C@@H](C)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000393265618 1028597393 /nfs/dbraw/zinc/59/73/93/1028597393.db2.gz WCXYQUXZRYJMGM-XYPHTWIQSA-N -1 0 333.428 3.542 20 0 EHADRM CC[C@H](C)c1cc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)on1 ZINC000236902398 1028602378 /nfs/dbraw/zinc/60/23/78/1028602378.db2.gz RMQKAAMRZCMZAW-AWEZNQCLSA-N -1 0 344.411 3.695 20 0 EHADRM CC[C@H](C)c1cc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)on1 ZINC000236907053 1028605208 /nfs/dbraw/zinc/60/52/08/1028605208.db2.gz LXDVOERWOZHSCF-NSHDSACASA-N -1 0 348.424 3.758 20 0 EHADRM CCC[C@@](C)(NC(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)[O-] ZINC000236950184 1028605427 /nfs/dbraw/zinc/60/54/27/1028605427.db2.gz SUCIICHJUASBGX-LJQANCHMSA-N -1 0 347.386 3.778 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1cc(Cl)ccc1F)C(=O)[O-] ZINC000237489005 1028653782 /nfs/dbraw/zinc/65/37/82/1028653782.db2.gz BBBRVYNHVJVWRT-LBPRGKRZSA-N -1 0 349.789 3.842 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)C/C=C/c1cccc(F)c1 ZINC000237577909 1028655769 /nfs/dbraw/zinc/65/57/69/1028655769.db2.gz OKXMMTVNVQVDEY-KRZKXXONSA-N -1 0 341.382 3.870 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2ccc(C(=O)[O-])cc2)C2CC2)o1 ZINC000237664308 1028659065 /nfs/dbraw/zinc/65/90/65/1028659065.db2.gz ULEGCMHJDUENOX-YVEFUNNKSA-N -1 0 339.391 3.906 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1cc2c(cccc2F)[nH]1 ZINC000237612235 1028659565 /nfs/dbraw/zinc/65/95/65/1028659565.db2.gz ADVVRWJDZBNUAQ-MRXNPFEDSA-N -1 0 340.354 3.561 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1csc2ccccc12 ZINC000237769171 1028664764 /nfs/dbraw/zinc/66/47/64/1028664764.db2.gz FVMJICYVYSIKSR-UHFFFAOYSA-N -1 0 341.388 3.925 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc(Cl)c(F)c2)Cc2ccccc2C1 ZINC000237916249 1028669812 /nfs/dbraw/zinc/66/98/12/1028669812.db2.gz FOIUDXKKBIVNPB-UHFFFAOYSA-N -1 0 347.773 3.678 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c1 ZINC000238034798 1028673617 /nfs/dbraw/zinc/67/36/17/1028673617.db2.gz DGKQMOSNEAPGSX-GJZGRUSLSA-N -1 0 345.782 3.546 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N2CCC[C@@H]3CCCC[C@H]32)cc1C ZINC000246860567 1028704786 /nfs/dbraw/zinc/70/47/86/1028704786.db2.gz CGRYKKRFFNVXMI-PRCFCKQXSA-N -1 0 333.497 3.592 20 0 EHADRM O=S(=O)([N-]c1cncc(F)c1)c1ccc2oc3ccccc3c2c1 ZINC000532744428 1028760986 /nfs/dbraw/zinc/76/09/86/1028760986.db2.gz KACMLFCZPFZJEP-UHFFFAOYSA-N -1 0 342.351 3.921 20 0 EHADRM CC1(C)CN(C(=O)N=c2nc(-c3ccsc3)[n-]s2)[C@H]2CCC[C@@H]21 ZINC000583127307 1028916233 /nfs/dbraw/zinc/91/62/33/1028916233.db2.gz ZRZGGBHIVOTQLT-RYUDHWBXSA-N -1 0 348.497 3.731 20 0 EHADRM Cc1nc(CN2CCC[C@H](C)[C@H]2C(=O)[O-])oc1-c1ccc(Cl)cc1 ZINC000424267029 1028922869 /nfs/dbraw/zinc/92/28/69/1028922869.db2.gz JSGOZZXCNLXOMJ-ZBEGNZNMSA-N -1 0 348.830 3.989 20 0 EHADRM CC[C@H]1CCCC[C@@H]1C(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)ccc1C ZINC000583154118 1029029924 /nfs/dbraw/zinc/02/99/24/1029029924.db2.gz UJXIEGCLGWACSE-JSGCOSHPSA-N -1 0 328.416 3.641 20 0 EHADRM COc1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000424425725 1029047328 /nfs/dbraw/zinc/04/73/28/1029047328.db2.gz ZJMVIOSHVMKLMT-TVQRCGJNSA-N -1 0 332.227 3.687 20 0 EHADRM CCC(CC)(CNC(=O)N1CCCCC[C@H]1c1ccncc1)C(=O)[O-] ZINC000424409591 1029054450 /nfs/dbraw/zinc/05/44/50/1029054450.db2.gz GYPWKKIYPLLAQS-INIZCTEOSA-N -1 0 347.459 3.599 20 0 EHADRM COc1ccc(N(CC(C)C)C(=O)c2s[n-]c(=O)c2Cl)cc1 ZINC000422068252 1029056005 /nfs/dbraw/zinc/05/60/05/1029056005.db2.gz BEBVUKVXDGXPHD-UHFFFAOYSA-N -1 0 340.832 3.814 20 0 EHADRM CC(C)c1ccc(C(=O)N2CCC[C@H]2CC(=O)c2ccco2)c(O)c1 ZINC000271521015 1029078724 /nfs/dbraw/zinc/07/87/24/1029078724.db2.gz WVBQJOADARHQPU-HNNXBMFYSA-N -1 0 341.407 3.986 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@@H](C)c2cccc3ccccc32)s1 ZINC000503159389 1029099047 /nfs/dbraw/zinc/09/90/47/1029099047.db2.gz JTHDKLHYDLXUKM-LBPRGKRZSA-N -1 0 340.452 3.948 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)c2ccc3oc(=O)nc-3[n-]2)cc1 ZINC000611751803 1029099932 /nfs/dbraw/zinc/09/99/32/1029099932.db2.gz XFLNYNLYLOEOIF-UHFFFAOYSA-N -1 0 341.367 3.606 20 0 EHADRM CCC(CC)(CC(=O)Nc1ccc(Cl)cc1COC)C(=O)[O-] ZINC000424537129 1029103086 /nfs/dbraw/zinc/10/30/86/1029103086.db2.gz PIVGHNHSHFDCCV-UHFFFAOYSA-N -1 0 327.808 3.706 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000237384379 1029110316 /nfs/dbraw/zinc/11/03/16/1029110316.db2.gz HRDYSNIRZHRQQL-SNVBAGLBSA-N -1 0 332.227 3.686 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)CCn1ccc2ccccc21 ZINC000271936979 1029235411 /nfs/dbraw/zinc/23/54/11/1029235411.db2.gz CWUBPBJMBJNDIS-UHFFFAOYSA-N -1 0 330.428 3.573 20 0 EHADRM CCc1cccc2c(CC(=O)NCCCCCCCC(=O)[O-])c[nH]c21 ZINC000271951626 1029241958 /nfs/dbraw/zinc/24/19/58/1029241958.db2.gz JHQPXEAQXCRABP-UHFFFAOYSA-N -1 0 344.455 3.814 20 0 EHADRM C[C@@H]1C[NH+]([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C[C@@H](C)S1 ZINC000583209867 1029246760 /nfs/dbraw/zinc/24/67/60/1029246760.db2.gz VMEUOMBIPIWATP-JRKPZEMJSA-N -1 0 334.268 3.945 20 0 EHADRM C[C@H]1CCN(C(=O)c2cccc(Br)c2[O-])C[C@@H](C)C1 ZINC000533112083 1029341502 /nfs/dbraw/zinc/34/15/02/1029341502.db2.gz ZIAMALAQCZLXHG-QWRGUYRKSA-N -1 0 326.234 3.663 20 0 EHADRM C[C@H]1CCN(C(=O)c2cccc(Br)c2[O-])C[C@H](C)C1 ZINC000533112084 1029341905 /nfs/dbraw/zinc/34/19/05/1029341905.db2.gz ZIAMALAQCZLXHG-WDEREUQCSA-N -1 0 326.234 3.663 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)nc1 ZINC000116603802 1029425224 /nfs/dbraw/zinc/42/52/24/1029425224.db2.gz BCTNUCXWGIOUEG-UHFFFAOYSA-N -1 0 330.434 3.758 20 0 EHADRM CCc1oc(C(=O)N(C)Cc2c(F)cccc2Cl)cc1C(=O)[O-] ZINC000261662401 1029470546 /nfs/dbraw/zinc/47/05/46/1029470546.db2.gz OARDMFZBCBZMDV-UHFFFAOYSA-N -1 0 339.750 3.605 20 0 EHADRM CCc1oc(C(=O)N2CCCC[C@H]2Cc2ccccc2)cc1C(=O)[O-] ZINC000261617994 1029475499 /nfs/dbraw/zinc/47/54/99/1029475499.db2.gz HGFATOFISVXEQO-HNNXBMFYSA-N -1 0 341.407 3.778 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])cc2F)[C@H](c2ccco2)C1 ZINC000262308873 1029582688 /nfs/dbraw/zinc/58/26/88/1029582688.db2.gz BDODZMZJSMVMKS-NHYWBVRUSA-N -1 0 331.343 3.730 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2F)CC[C@H]1c1ccccc1 ZINC000262327574 1029585593 /nfs/dbraw/zinc/58/55/93/1029585593.db2.gz DMYMLPLJZAHLAN-XJKSGUPXSA-N -1 0 341.382 3.790 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)c1 ZINC000262405637 1029589902 /nfs/dbraw/zinc/58/99/02/1029589902.db2.gz OKXSPFQIWNYRCR-HOTGVXAUSA-N -1 0 345.345 3.724 20 0 EHADRM O=C([O-])C1(CC(=O)N2Cc3ccccc3C[C@@H]2c2ccccc2)CCC1 ZINC000262730998 1029628299 /nfs/dbraw/zinc/62/82/99/1029628299.db2.gz HZLUAQUUOOUGCY-LJQANCHMSA-N -1 0 349.430 3.958 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC000262763713 1029631067 /nfs/dbraw/zinc/63/10/67/1029631067.db2.gz KQILLUFSUMRMIG-WFASDCNBSA-N -1 0 327.355 3.542 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC2(c3ccc(F)cc3F)CCC2)s1 ZINC000262756224 1029631096 /nfs/dbraw/zinc/63/10/96/1029631096.db2.gz JWQVZKFGKDGVPU-UHFFFAOYSA-N -1 0 337.347 3.534 20 0 EHADRM CCC(CC)[C@@H](c1ccc(Cl)cc1)N(C)C(=O)N=c1ncn(C)[n-]1 ZINC000455589142 1029635885 /nfs/dbraw/zinc/63/58/85/1029635885.db2.gz WTDXIXWQWRNJCI-HNNXBMFYSA-N -1 0 349.866 3.532 20 0 EHADRM Cc1c2cccc(Cl)c2oc1C(=O)N1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000262797902 1029636177 /nfs/dbraw/zinc/63/61/77/1029636177.db2.gz CJRBBDCUZHMFQH-SFHVURJKSA-N -1 0 349.814 3.968 20 0 EHADRM CC[C@@H](CC(=O)N1CC[C@](C(=O)[O-])(C(C)C)C1)c1ccc(C)cc1 ZINC000262943256 1029651890 /nfs/dbraw/zinc/65/18/90/1029651890.db2.gz KVMOZIDBZIWUGQ-OXJNMPFZSA-N -1 0 331.456 3.838 20 0 EHADRM Cc1cc(NC(=O)N2CC[C@](C)(C(=O)[O-])C2)ccc1-c1ccccc1 ZINC000263025901 1029656661 /nfs/dbraw/zinc/65/66/61/1029656661.db2.gz JWOHHTJNIBDFRJ-FQEVSTJZSA-N -1 0 338.407 3.991 20 0 EHADRM CCCc1ccc([C@H](NC(=O)NCCC(=O)[O-])c2cccs2)cc1 ZINC000263060608 1029662190 /nfs/dbraw/zinc/66/21/90/1029662190.db2.gz RYIZHRILZIUNOD-KRWDZBQOSA-N -1 0 346.452 3.564 20 0 EHADRM Cc1cc(NC(=O)N(C)C[C@@H](C)C(=O)[O-])ccc1-c1ccccc1 ZINC000263061415 1029662363 /nfs/dbraw/zinc/66/23/63/1029662363.db2.gz OPIWBYONWFHIPR-CQSZACIVSA-N -1 0 326.396 3.846 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000263100578 1029666397 /nfs/dbraw/zinc/66/63/97/1029666397.db2.gz CTRBOVJPMPJXTJ-VXGBXAGGSA-N -1 0 347.798 3.925 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cccc(Oc2ccccc2)c1 ZINC000263188613 1029671207 /nfs/dbraw/zinc/67/12/07/1029671207.db2.gz KZHAMNZYRAKIFJ-HOCLYGCPSA-N -1 0 339.391 3.804 20 0 EHADRM CC(C)Sc1ccccc1NC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263179653 1029671756 /nfs/dbraw/zinc/67/17/56/1029671756.db2.gz UBPVJJAPQQDDDE-QWHCGFSZSA-N -1 0 336.457 3.762 20 0 EHADRM CCC[C@H](CNC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000263169397 1029671931 /nfs/dbraw/zinc/67/19/31/1029671931.db2.gz KLRWNOYZGNXFSH-FZQKWOKYSA-N -1 0 344.238 3.714 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000263245165 1029679653 /nfs/dbraw/zinc/67/96/53/1029679653.db2.gz SDZNHFPHKFIRML-MRXNPFEDSA-N -1 0 345.370 3.557 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCCc1csc2ccccc12 ZINC000263252544 1029679994 /nfs/dbraw/zinc/67/99/94/1029679994.db2.gz SZCDPSFASNYXBP-UONOGXRCSA-N -1 0 345.464 3.936 20 0 EHADRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)C[C@@H](C)CC(C)C)c1 ZINC000263257351 1029680795 /nfs/dbraw/zinc/68/07/95/1029680795.db2.gz VYJZKELLGRZLGV-LIRRHRJNSA-N -1 0 335.444 3.574 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000263261748 1029682219 /nfs/dbraw/zinc/68/22/19/1029682219.db2.gz UVDHMHKFLWRDDK-MWLKLMTCSA-N -1 0 337.419 3.655 20 0 EHADRM O=C([O-])C1CCC(Nc2ncc(Br)cc2Cl)CC1 ZINC000263569898 1029725472 /nfs/dbraw/zinc/72/54/72/1029725472.db2.gz ZRXJLSNAEILVFK-UHFFFAOYSA-N -1 0 333.613 3.553 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C2(c3cccs3)CCCCC2)C1 ZINC000263314416 1029687989 /nfs/dbraw/zinc/68/79/89/1029687989.db2.gz IMVLRNJNBLIQIS-UONOGXRCSA-N -1 0 335.469 3.519 20 0 EHADRM C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000263339795 1029689142 /nfs/dbraw/zinc/68/91/42/1029689142.db2.gz RPHPBEOBXCIUPZ-MXWKQRLJSA-N -1 0 344.238 3.542 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)cc1 ZINC000263356637 1029690351 /nfs/dbraw/zinc/69/03/51/1029690351.db2.gz RZAZFIWKQQAMHZ-LJQANCHMSA-N -1 0 341.382 3.724 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)C2(c3ccccc3F)CC2)c1 ZINC000263366329 1029691228 /nfs/dbraw/zinc/69/12/28/1029691228.db2.gz ZYNVOHNSIGLOGU-GFCCVEGCSA-N -1 0 327.355 3.684 20 0 EHADRM Cc1ccc(F)cc1NC(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263471408 1029701923 /nfs/dbraw/zinc/70/19/23/1029701923.db2.gz HVPJWCPGRLTLAH-MRXNPFEDSA-N -1 0 344.386 3.732 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000263481923 1029702987 /nfs/dbraw/zinc/70/29/87/1029702987.db2.gz LAPVSEFYQIZLRR-IFXJQAMLSA-N -1 0 330.428 3.837 20 0 EHADRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000446621301 1029729240 /nfs/dbraw/zinc/72/92/40/1029729240.db2.gz BMIGBJWXWATDMU-UHFFFAOYSA-N -1 0 337.466 3.835 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2ccc(SC)cc2OC)c1 ZINC000446644670 1029735725 /nfs/dbraw/zinc/73/57/25/1029735725.db2.gz OJEBCFOAGOWYQW-UHFFFAOYSA-N -1 0 337.466 3.780 20 0 EHADRM COc1ccc([C@H]2CCN(C(=O)c3ccc([O-])c(Cl)c3)C2)cc1 ZINC000156118203 1029757338 /nfs/dbraw/zinc/75/73/38/1029757338.db2.gz XEPLMKQYCWJPPX-AWEZNQCLSA-N -1 0 331.799 3.684 20 0 EHADRM Cc1cncc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)c1 ZINC000446724300 1029774950 /nfs/dbraw/zinc/77/49/50/1029774950.db2.gz ZNSQPJZRQIYMGE-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1csc([N-]S(=O)(=O)c2csc3ccc(Cl)cc32)n1 ZINC000080311716 1029801252 /nfs/dbraw/zinc/80/12/52/1029801252.db2.gz ZHVFLTYUEIRXEO-UHFFFAOYSA-N -1 0 344.870 3.542 20 0 EHADRM Cc1cc(C)nc([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c1 ZINC000446953072 1029863370 /nfs/dbraw/zinc/86/33/70/1029863370.db2.gz XGJVEZCJTZFYLT-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2coc(C3CCCC3)n2)c1 ZINC000455780297 1029957425 /nfs/dbraw/zinc/95/74/25/1029957425.db2.gz FXANSOLEXWTGSP-UHFFFAOYSA-N -1 0 328.368 3.602 20 0 EHADRM C[C@H]1C[C@H](CSc2n[n-]c(=Nc3ccccc3F)s2)CCO1 ZINC000447123873 1029964542 /nfs/dbraw/zinc/96/45/42/1029964542.db2.gz ZRRRHXSLAAZOAW-WDEREUQCSA-N -1 0 339.461 3.750 20 0 EHADRM CO[C@@H]1CCC[C@H]1Sc1n[n-]c(=Nc2ccccc2F)s1 ZINC000583512110 1029998988 /nfs/dbraw/zinc/99/89/88/1029998988.db2.gz PMDORZTVFFWFBP-VXGBXAGGSA-N -1 0 325.434 3.502 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccc(C)c3ncccc23)s1 ZINC000481835323 1030025923 /nfs/dbraw/zinc/02/59/23/1030025923.db2.gz BFFILDWCDMLFGZ-UHFFFAOYSA-N -1 0 332.450 3.968 20 0 EHADRM COc1cc(C)cc([N-]S(=O)(=O)c2cc(F)ccc2Cl)c1C ZINC000447278713 1030062115 /nfs/dbraw/zinc/06/21/15/1030062115.db2.gz CXTQZINSSCJJEV-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM COc1cc(C)cc([N-]S(=O)(=O)c2ccc(Cl)s2)c1C ZINC000447279038 1030063762 /nfs/dbraw/zinc/06/37/62/1030063762.db2.gz FVTVIYYXGQRONW-UHFFFAOYSA-N -1 0 331.846 3.828 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCCc3ccccc32)s1 ZINC000042318720 1030151876 /nfs/dbraw/zinc/15/18/76/1030151876.db2.gz RAPFUDCMMMZWPU-AWEZNQCLSA-N -1 0 335.450 3.822 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)c2ncsc2-c2ccccc2)s[n-]1 ZINC000525832736 1030177387 /nfs/dbraw/zinc/17/73/87/1030177387.db2.gz CPNKERZEJUQNIP-UHFFFAOYSA-N -1 0 344.465 3.633 20 0 EHADRM CC1(C)CCC[C@H](CC(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)C1 ZINC000525964608 1030275875 /nfs/dbraw/zinc/27/58/75/1030275875.db2.gz JYDFFRDSKGSYAJ-GFCCVEGCSA-N -1 0 329.400 3.575 20 0 EHADRM CCCC[C@H](NC(=O)Cc1coc2ccc3ccccc3c12)C(=O)[O-] ZINC000525979287 1030297788 /nfs/dbraw/zinc/29/77/88/1030297788.db2.gz FBARSSYQBSGDLG-INIZCTEOSA-N -1 0 339.391 3.888 20 0 EHADRM Cc1cc(-c2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)no1 ZINC000526042122 1030386348 /nfs/dbraw/zinc/38/63/48/1030386348.db2.gz KQSKKKLQEZOERQ-UHFFFAOYSA-N -1 0 327.340 3.754 20 0 EHADRM C[C@@H](CC(C)(C)NC(=O)N1CCC(Cc2ccccc2)CC1)C(=O)[O-] ZINC000583673344 1030423454 /nfs/dbraw/zinc/42/34/54/1030423454.db2.gz ZUOQYKDKTUWPBX-HNNXBMFYSA-N -1 0 346.471 3.540 20 0 EHADRM COc1ccc(-n2nc(C)cc2Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC001211593798 1030459926 /nfs/dbraw/zinc/45/99/26/1030459926.db2.gz AALNZOLFRYKYOL-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM CCC(CC)CN(CC)C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000162948232 1030467790 /nfs/dbraw/zinc/46/77/90/1030467790.db2.gz MQJZWRUIJIQSKL-UHFFFAOYSA-N -1 0 333.407 3.615 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)[C@@H](C)c3cc4ccccc4o3)[nH][n-]2)o1 ZINC000447807584 1030507992 /nfs/dbraw/zinc/50/79/92/1030507992.db2.gz SFZPPQUCXSQVNW-LBPRGKRZSA-N -1 0 335.363 3.888 20 0 EHADRM O=C([O-])C1(CNC(=O)CC(c2ccccc2)c2ccccc2)CCC1 ZINC000532262201 1030508924 /nfs/dbraw/zinc/50/89/24/1030508924.db2.gz FEFVMVQQSDBDCZ-UHFFFAOYSA-N -1 0 337.419 3.580 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000526956645 1030515439 /nfs/dbraw/zinc/51/54/39/1030515439.db2.gz FGPCKHTWJDJZBH-CQSZACIVSA-N -1 0 343.427 3.965 20 0 EHADRM CCCC[C@@H](CC)C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000447898210 1030577621 /nfs/dbraw/zinc/57/76/21/1030577621.db2.gz SRCPQYBFUUBKAC-CYBMUJFWSA-N -1 0 341.398 3.985 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2nnc(C3CCCCC3)o2)s1 ZINC000278402184 1030622209 /nfs/dbraw/zinc/62/22/09/1030622209.db2.gz OJUYNHTXABRFCL-UHFFFAOYSA-N -1 0 341.458 3.542 20 0 EHADRM CC(C)(C)c1cnc(CN=c2[n-]nc(Cc3ccsc3)o2)s1 ZINC000447960350 1030629337 /nfs/dbraw/zinc/62/93/37/1030629337.db2.gz YIVCPIIUDOICSI-UHFFFAOYSA-N -1 0 334.470 3.510 20 0 EHADRM CCOc1ccccc1CN(C)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000194465835 1030638930 /nfs/dbraw/zinc/63/89/30/1030638930.db2.gz PLVYEHBVJHKNTP-UHFFFAOYSA-N -1 0 337.778 3.856 20 0 EHADRM O=S(=O)([N-]c1nc(C2CCC2)cs1)c1cccc2cnccc21 ZINC000278405808 1030652563 /nfs/dbraw/zinc/65/25/63/1030652563.db2.gz PCFPHYBHRBQAQY-UHFFFAOYSA-N -1 0 345.449 3.760 20 0 EHADRM O=C(N=c1nc(-c2ccsc2)[n-]s1)N1CCC2(C1)CCCCC2 ZINC000448002727 1030660458 /nfs/dbraw/zinc/66/04/58/1030660458.db2.gz WVKGYFVUERMZCP-UHFFFAOYSA-N -1 0 348.497 3.877 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000237521959 1030663239 /nfs/dbraw/zinc/66/32/39/1030663239.db2.gz QCOALDJYTOQYAK-GDBMZVCRSA-N -1 0 335.419 3.640 20 0 EHADRM C[C@H]1CCN(C(=O)N=c2nc(-c3ccsc3)[n-]s2)C[C@H](C)C1 ZINC000448012553 1030666733 /nfs/dbraw/zinc/66/67/33/1030666733.db2.gz RSSOFASQVNRBBX-WDEREUQCSA-N -1 0 336.486 3.588 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)c2ccc3nc(C)ccc3c2)s1 ZINC000448147212 1030750523 /nfs/dbraw/zinc/75/05/23/1030750523.db2.gz LMYAUQRJNNWIRQ-UHFFFAOYSA-N -1 0 340.452 3.802 20 0 EHADRM CC[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000194515995 1030768188 /nfs/dbraw/zinc/76/81/88/1030768188.db2.gz IWAHEQDADCLQGC-AWEZNQCLSA-N -1 0 347.798 3.698 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)NCC1CCC(F)(F)CC1 ZINC000548811256 1030786614 /nfs/dbraw/zinc/78/66/14/1030786614.db2.gz WGXXCUJVVLYZDN-UHFFFAOYSA-N -1 0 346.381 3.513 20 0 EHADRM Fc1ccc2cc(CN=c3[n-]nc(-c4ccc5c(c4)CCC5)o3)[nH]c2c1 ZINC000550960702 1030834684 /nfs/dbraw/zinc/83/46/84/1030834684.db2.gz KDPFNDNYAXRHJM-UHFFFAOYSA-N -1 0 348.381 3.880 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)s[n-]1 ZINC000550967851 1030843900 /nfs/dbraw/zinc/84/39/00/1030843900.db2.gz GVDXXUVYVBPVJK-MNOVXSKESA-N -1 0 335.860 3.653 20 0 EHADRM COc1cc(Br)nc(Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC001211599640 1030864456 /nfs/dbraw/zinc/86/44/56/1030864456.db2.gz RCGKTIRSQKKINU-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM O=C(Cc1cccc(C(F)F)c1)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000448256688 1030876616 /nfs/dbraw/zinc/87/66/16/1030876616.db2.gz QANCFPJBDFFKMY-UHFFFAOYSA-N -1 0 339.345 3.684 20 0 EHADRM O=S(=O)([N-]c1cccc(Oc2ccncc2)c1)c1ccsc1 ZINC000349942781 1030888408 /nfs/dbraw/zinc/88/84/08/1030888408.db2.gz FMQVMGYPXFISRJ-UHFFFAOYSA-N -1 0 332.406 3.736 20 0 EHADRM Cc1cccc(NS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)n1 ZINC000194569308 1030893288 /nfs/dbraw/zinc/89/32/88/1030893288.db2.gz NJRDVIYLGJMMGY-UHFFFAOYSA-N -1 0 331.224 3.639 20 0 EHADRM CC(C)c1nc(/C=C/c2ccc(-n3cccn3)cc2)ncc1C(=O)[O-] ZINC000172555089 1030971052 /nfs/dbraw/zinc/97/10/52/1030971052.db2.gz AMSWMPJBCBPZOA-RMKNXTFCSA-N -1 0 334.379 3.654 20 0 EHADRM CCc1ccc(CN=c2[n-]nc(SCc3ccccc3)s2)cn1 ZINC000508626172 1030999607 /nfs/dbraw/zinc/99/96/07/1030999607.db2.gz UMLARWZJRXFGPI-UHFFFAOYSA-N -1 0 342.493 3.822 20 0 EHADRM Cc1ccc(Nc2ccc(S(=O)(=O)C(C)C)cc2)cc1C(=O)[O-] ZINC001211601877 1031047341 /nfs/dbraw/zinc/04/73/41/1031047341.db2.gz PWRUIUGEOUNCFR-UHFFFAOYSA-N -1 0 333.409 3.619 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)[N-]c2nc3c(s2)C[C@H](C)CC3)c1 ZINC000476918488 1031082635 /nfs/dbraw/zinc/08/26/35/1031082635.db2.gz YASFPYHCSRDSLQ-SECBINFHSA-N -1 0 340.445 3.516 20 0 EHADRM O=C(c1csc(NC2CC2)n1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000476947566 1031098183 /nfs/dbraw/zinc/09/81/83/1031098183.db2.gz AWRLEERBWJMMMB-OAHLLOKOSA-N -1 0 341.480 3.549 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000173622768 1031121915 /nfs/dbraw/zinc/12/19/15/1031121915.db2.gz VQOZBLLGIBYBMV-NVXWUHKLSA-N -1 0 347.418 3.596 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2OC)cc1 ZINC000455888094 1031161713 /nfs/dbraw/zinc/16/17/13/1031161713.db2.gz ZOFAALHXXGPSBQ-GFCCVEGCSA-N -1 0 327.380 3.698 20 0 EHADRM Cc1ccc(C[C@H](Sc2nnc(C(F)F)s2)C(=O)[O-])cc1 ZINC000568259856 1031230043 /nfs/dbraw/zinc/23/00/43/1031230043.db2.gz KPNFMUDMWVAXCY-VIFPVBQESA-N -1 0 330.381 3.572 20 0 EHADRM CC(C)n1cc(-c2ccccc2OC[C@@H]2CCOC2)cc1C(=O)[O-] ZINC000568266276 1031270770 /nfs/dbraw/zinc/27/07/70/1031270770.db2.gz OWRONFOXVMATGU-CQSZACIVSA-N -1 0 329.396 3.850 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N2CC[C@H](C)[C@@H]2C)s1)c1ccccc1 ZINC000483655064 1031273961 /nfs/dbraw/zinc/27/39/61/1031273961.db2.gz CVUUBDNXVQSTIP-KCQAQPDRSA-N -1 0 344.484 3.764 20 0 EHADRM Cc1cccc(OCCCCC(=O)N[C@](C)(CC(=O)[O-])C(C)C)c1 ZINC000262911235 1031299911 /nfs/dbraw/zinc/29/99/11/1031299911.db2.gz IUQHFPCIUSUREM-LJQANCHMSA-N -1 0 335.444 3.550 20 0 EHADRM Cc1c(S(=O)(=O)[N-]c2cccc(C)c2C)c2ccccc2n1C ZINC000551467046 1031364143 /nfs/dbraw/zinc/36/41/43/1031364143.db2.gz PKUOMTUAHCWVCG-UHFFFAOYSA-N -1 0 328.437 3.904 20 0 EHADRM Cc1cc(F)ccc1[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000551468183 1031365722 /nfs/dbraw/zinc/36/57/22/1031365722.db2.gz XBUUCORSBDVQKD-UHFFFAOYSA-N -1 0 335.734 3.867 20 0 EHADRM COC(=O)Cc1ccc(Cl)c(Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC001211606434 1031389210 /nfs/dbraw/zinc/38/92/10/1031389210.db2.gz OYROUYPAFYZART-UHFFFAOYSA-N -1 0 333.771 3.806 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)c1cccc([C@@H]2CCCOC2)c1)C(=O)[O-] ZINC000668289241 1031403958 /nfs/dbraw/zinc/40/39/58/1031403958.db2.gz RVTSRWXYKYNYGR-SJORKVTESA-N -1 0 347.455 3.590 20 0 EHADRM Cc1ccccc1-c1nc(=NCc2ccn(C3CCCC3)n2)s[n-]1 ZINC000527927666 1031420251 /nfs/dbraw/zinc/42/02/51/1031420251.db2.gz CWPDLXJZQISUOQ-UHFFFAOYSA-N -1 0 339.468 3.859 20 0 EHADRM CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000484030361 1031429830 /nfs/dbraw/zinc/42/98/30/1031429830.db2.gz AQQAEAZYLALYQJ-UHFFFAOYSA-N -1 0 345.342 3.692 20 0 EHADRM Cc1nc(-c2ccccc2C)sc1C(=O)N=c1cc(C)c(C)n[n-]1 ZINC000484038090 1031437025 /nfs/dbraw/zinc/43/70/25/1031437025.db2.gz DUKUWGDJHMEYEM-UHFFFAOYSA-N -1 0 338.436 3.508 20 0 EHADRM CCCc1sc(C(=O)N=c2ccc(C(F)(F)F)n[n-]2)cc1CC ZINC000484130519 1031460539 /nfs/dbraw/zinc/46/05/39/1031460539.db2.gz LZBIVYGGICFCMA-UHFFFAOYSA-N -1 0 343.374 3.746 20 0 EHADRM CC[C@@H]1CCCN(C(=O)N=c2[n-]nc(C=Cc3ccco3)s2)CC1 ZINC000484109260 1031461965 /nfs/dbraw/zinc/46/19/65/1031461965.db2.gz IMRNBNSELOXVCM-MEJMFZKBSA-N -1 0 346.456 3.767 20 0 EHADRM CC(C)c1nnc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)s1 ZINC000176597578 1031464491 /nfs/dbraw/zinc/46/44/91/1031464491.db2.gz IDAXQXJQSFLRHD-UHFFFAOYSA-N -1 0 325.459 3.586 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)NC(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000668318472 1031469371 /nfs/dbraw/zinc/46/93/71/1031469371.db2.gz OEAJRJNLPBZNPV-NSHDSACASA-N -1 0 345.361 3.644 20 0 EHADRM O=C(N=c1ccc(C(F)(F)F)n[n-]1)c1ccc(Oc2ccccc2)o1 ZINC000484154336 1031476613 /nfs/dbraw/zinc/47/66/13/1031476613.db2.gz BFLVGINQYTXTPG-UHFFFAOYSA-N -1 0 349.268 3.555 20 0 EHADRM C[C@@H](CNC(=O)c1cc(F)c([O-])c(Cl)c1)c1ccc(F)cc1F ZINC000194774286 1031487677 /nfs/dbraw/zinc/48/76/77/1031487677.db2.gz JPNRTVXBFRRUHL-QMMMGPOBSA-N -1 0 343.732 3.996 20 0 EHADRM Cc1cc(C(=O)N(C(C)C)C2CC(C)(C)C2)cc(C)c1OCC(=O)[O-] ZINC000668325611 1031488106 /nfs/dbraw/zinc/48/81/06/1031488106.db2.gz XNZMCXUECWPMQO-UHFFFAOYSA-N -1 0 347.455 3.806 20 0 EHADRM O=C(N[C@H]1CCOc2c(Cl)cccc21)c1cc(F)c([O-])c(F)c1 ZINC000177103678 1031509597 /nfs/dbraw/zinc/50/95/97/1031509597.db2.gz DCFNZFOXVJVNKS-ZDUSSCGKSA-N -1 0 339.725 3.577 20 0 EHADRM O=C([O-])C1(CC(=O)NCCCc2cccc(Cl)c2)CCCCC1 ZINC000584035998 1031516505 /nfs/dbraw/zinc/51/65/05/1031516505.db2.gz UIIXWOZJXRFAEA-UHFFFAOYSA-N -1 0 337.847 3.814 20 0 EHADRM COc1cccc2c1CC[C@H]2NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000194841699 1031560268 /nfs/dbraw/zinc/56/02/68/1031560268.db2.gz DQCUBDCCQPRSQM-CQSZACIVSA-N -1 0 335.762 3.611 20 0 EHADRM CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000484462305 1031594023 /nfs/dbraw/zinc/59/40/23/1031594023.db2.gz XWNZUJUVINBNRP-UHFFFAOYSA-N -1 0 347.893 3.897 20 0 EHADRM CC[C@@H](Cc1ccc(NCc2c(Cl)c(C)nn2C)cc1)C(=O)[O-] ZINC000904014958 1031600294 /nfs/dbraw/zinc/60/02/94/1031600294.db2.gz ARLGXCSKGOLELB-ZDUSSCGKSA-N -1 0 335.835 3.647 20 0 EHADRM CCOc1cncc(CNc2ccc(S[C@@H](C)C(=O)[O-])cc2)c1 ZINC000904017617 1031606889 /nfs/dbraw/zinc/60/68/89/1031606889.db2.gz LOTDYTGYOPGMJO-LBPRGKRZSA-N -1 0 332.425 3.658 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)n1 ZINC000178182936 1031638105 /nfs/dbraw/zinc/63/81/05/1031638105.db2.gz CYMKTFWJQCJUOF-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM CC(C)[C@H]1CCCN1C(=O)c1cc(Br)c(F)cc1[O-] ZINC000448801117 1031707356 /nfs/dbraw/zinc/70/73/56/1031707356.db2.gz OCHXROWRINYNEI-GFCCVEGCSA-N -1 0 330.197 3.554 20 0 EHADRM Cc1oc(CN(C)C(=O)c2ccc3c(c2)CCC=C3)cc1C(=O)[O-] ZINC000262930241 1031730795 /nfs/dbraw/zinc/73/07/95/1031730795.db2.gz BCSCTNKVQLNACS-UHFFFAOYSA-N -1 0 325.364 3.518 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)CCCCCc1cccs1 ZINC000262931051 1031733587 /nfs/dbraw/zinc/73/35/87/1031733587.db2.gz JZLIEDZQNFUBLQ-KRWDZBQOSA-N -1 0 325.474 3.857 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)cc1 ZINC000584115638 1031746011 /nfs/dbraw/zinc/74/60/11/1031746011.db2.gz OOGSYRBWCNZLHI-XKRVECJUSA-N -1 0 329.440 3.783 20 0 EHADRM O=C(Nc1ccc(Br)cc1F)c1c([O-])cccc1F ZINC000163744787 1031755087 /nfs/dbraw/zinc/75/50/87/1031755087.db2.gz QLJJYOZAMZMSMJ-UHFFFAOYSA-N -1 0 328.112 3.685 20 0 EHADRM Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1csc2ccccc21 ZINC000551946908 1031783860 /nfs/dbraw/zinc/78/38/60/1031783860.db2.gz ZTXPTCJCYUPXIA-UHFFFAOYSA-N -1 0 334.422 3.876 20 0 EHADRM CCc1ccc(NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)cc1 ZINC000904194319 1031840099 /nfs/dbraw/zinc/84/00/99/1031840099.db2.gz BOWALBDUDQCHAP-UHFFFAOYSA-N -1 0 328.412 3.755 20 0 EHADRM O=C([O-])N[C@H]1C[C@@H](Nc2cccc(OCC(F)(F)F)c2)C12CCC2 ZINC000904199374 1031845204 /nfs/dbraw/zinc/84/52/04/1031845204.db2.gz IIJJYIVELKVAAH-OLZOCXBDSA-N -1 0 344.333 3.618 20 0 EHADRM CC(C)c1n[n-]c(=N[C@H]2CCC[C@H](c3nc4ccccc4[nH]3)C2)o1 ZINC000584169550 1031863208 /nfs/dbraw/zinc/86/32/08/1031863208.db2.gz CYDVUFKNAPCBDF-STQMWFEESA-N -1 0 325.416 3.630 20 0 EHADRM CC(C)n1ncc2ccc(N[C@H]3C[C@H](NC(=O)[O-])C34CCC4)cc21 ZINC000904229603 1031866915 /nfs/dbraw/zinc/86/69/15/1031866915.db2.gz LFCSSNXXLXCUIX-HOTGVXAUSA-N -1 0 328.416 3.608 20 0 EHADRM COc1cc(N[C@H]2C[C@@H](NC(=O)[O-])C23CCC3)cc(OC)c1C(C)C ZINC000904231842 1031873740 /nfs/dbraw/zinc/87/37/40/1031873740.db2.gz ZDFGZYUESDKKOQ-JKSUJKDBSA-N -1 0 348.443 3.818 20 0 EHADRM CCOc1cc(C(=O)Nc2nc(-c3cc(C)oc3C)cs2)on1 ZINC000448943190 1031922396 /nfs/dbraw/zinc/92/23/96/1031922396.db2.gz VVMIVYCVZHPFPG-UHFFFAOYSA-N -1 0 333.369 3.659 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)[C@H]1CCCc2sccc21 ZINC000455912175 1031946579 /nfs/dbraw/zinc/94/65/79/1031946579.db2.gz VXPGJUPRFDQXOO-BBRMVZONSA-N -1 0 343.448 3.670 20 0 EHADRM CN(C(=O)c1cc(F)cc(Cl)c1[O-])[C@@H]1CCc2ccccc2C1 ZINC000151729100 1031957455 /nfs/dbraw/zinc/95/74/55/1031957455.db2.gz UNOLMSPCEFTDTF-CQSZACIVSA-N -1 0 333.790 3.814 20 0 EHADRM C[C@@H](CC(=O)N[C@](C)(CC(=O)[O-])c1cccc(F)c1)c1ccccc1 ZINC000449001894 1031999619 /nfs/dbraw/zinc/99/96/19/1031999619.db2.gz LQOADMCOMAKVRK-VBKZILBWSA-N -1 0 343.398 3.826 20 0 EHADRM CC(C)(C(=O)NC[C@](C)(C(=O)[O-])c1ccc(F)cc1)C1CCCC1 ZINC000448995558 1032002119 /nfs/dbraw/zinc/00/21/19/1032002119.db2.gz QORFDRJQYLVCJP-IBGZPJMESA-N -1 0 335.419 3.501 20 0 EHADRM CC(C)c1ccc(C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)s1 ZINC000448997552 1032006181 /nfs/dbraw/zinc/00/61/81/1032006181.db2.gz SYIKZDCHGHUMQL-CYBMUJFWSA-N -1 0 335.400 3.609 20 0 EHADRM Cc1cccc(C(=O)N[C@](C)(CC(=O)[O-])c2cccc(F)c2)c1C ZINC000449000978 1032008591 /nfs/dbraw/zinc/00/85/91/1032008591.db2.gz JYRCDTVIAUGIHS-LJQANCHMSA-N -1 0 329.371 3.562 20 0 EHADRM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)c1ccc(C(=O)[O-])c(C)n1 ZINC000448986917 1032017010 /nfs/dbraw/zinc/01/70/10/1032017010.db2.gz YWSKYAQXCGBCII-GOSISDBHSA-N -1 0 340.423 3.866 20 0 EHADRM CC(C)[C@@H]1N(C(=O)N=c2nc(-c3ccsc3)[n-]s2)CC12CCC2 ZINC000584275113 1032053809 /nfs/dbraw/zinc/05/38/09/1032053809.db2.gz UFINCWHWEZYDMZ-LBPRGKRZSA-N -1 0 348.497 3.731 20 0 EHADRM CCCC(=O)Nc1cccc(CNC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000053538934 1033308560 /nfs/dbraw/zinc/30/85/60/1033308560.db2.gz JFPCDSGXAGUBBA-UHFFFAOYSA-N -1 0 346.814 3.714 20 0 EHADRM CCCC1CCC(=NNC(=O)c2nn(-c3ccccc3)cc2[O-])CC1 ZINC000046590069 1033317479 /nfs/dbraw/zinc/31/74/79/1033317479.db2.gz YIZFZHJTHVLXAH-UHFFFAOYSA-N -1 0 340.427 3.654 20 0 EHADRM O=C(CC/C=C\c1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000255602931 1033341187 /nfs/dbraw/zinc/34/11/87/1033341187.db2.gz WIIDOXDOVXOAIE-YWEYNIOJSA-N -1 0 349.839 3.639 20 0 EHADRM CS[C@@H](C)CC(=O)N1CCC([C@@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000598662641 1033361193 /nfs/dbraw/zinc/36/11/93/1033361193.db2.gz SLFOUCXTSYTDBZ-YOEHRIQHSA-N -1 0 349.496 3.625 20 0 EHADRM CCOc1ccc(NC(=O)c2ccc(Br)cc2[O-])cc1 ZINC000044490296 1033496707 /nfs/dbraw/zinc/49/67/07/1033496707.db2.gz MKJUTLIWCSWINJ-UHFFFAOYSA-N -1 0 336.185 3.806 20 0 EHADRM CC(C)COc1ccc(C(C)(C)CNC(=O)CC(C)(C)C(=O)[O-])cc1 ZINC000574841668 1033555670 /nfs/dbraw/zinc/55/56/70/1033555670.db2.gz ULLKOWLBNQAQCK-UHFFFAOYSA-N -1 0 349.471 3.616 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N[C@@H]2C[C@@]2(C)c2ccccc2)s1 ZINC000608269449 1033563903 /nfs/dbraw/zinc/56/39/03/1033563903.db2.gz PESDNXPQMUXFIX-KDOFPFPSSA-N -1 0 344.484 3.715 20 0 EHADRM CC(C)CN=c1[n-]nc(S[C@@H](C(=O)C2CC2)c2ccccc2)s1 ZINC000574809970 1033568573 /nfs/dbraw/zinc/56/85/73/1033568573.db2.gz YHUJCYDBJMPZEB-OAHLLOKOSA-N -1 0 347.509 3.840 20 0 EHADRM O=C(c1cc(Br)c(F)cc1[O-])N1CCC[C@@H]2CCC[C@@H]21 ZINC000450006757 1033581514 /nfs/dbraw/zinc/58/15/14/1033581514.db2.gz VGZRLKVZKVWGBF-ZANVPECISA-N -1 0 342.208 3.699 20 0 EHADRM C[C@@H]1CC[C@H](C)N(C(=O)c2cc(Br)c(F)cc2[O-])C1 ZINC000450054016 1033637310 /nfs/dbraw/zinc/63/73/10/1033637310.db2.gz UZKMSIDLCCYWBI-BDAKNGLRSA-N -1 0 330.197 3.554 20 0 EHADRM C[C@H]1CN(C(=O)c2cccc(Br)c2[O-])[C@H]1c1ccccc1 ZINC000608481932 1033707694 /nfs/dbraw/zinc/70/76/94/1033707694.db2.gz BGMKWRLYBLCMAN-XHDPSFHLSA-N -1 0 346.224 3.988 20 0 EHADRM O=S(=O)([N-][C@@H](c1ccccc1)C(F)F)c1cc(F)ccc1Cl ZINC000431620824 1033712024 /nfs/dbraw/zinc/71/20/24/1033712024.db2.gz KIQCKOYUQCKXBV-ZDUSSCGKSA-N -1 0 349.761 3.764 20 0 EHADRM C[C@H](CNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)c1ccccc1 ZINC000046810103 1033763142 /nfs/dbraw/zinc/76/31/42/1033763142.db2.gz XDJCDJXUMYRXIF-LLVKDONJSA-N -1 0 339.420 3.531 20 0 EHADRM C[C@@](CC(=O)N[C@@H](c1ccccc1)C1CC1)(C(=O)[O-])c1ccccc1 ZINC000326708356 1033839552 /nfs/dbraw/zinc/83/95/52/1033839552.db2.gz YFTRYINSGQSSTK-FPOVZHCZSA-N -1 0 337.419 3.687 20 0 EHADRM CC(C)(C)CCCCC(=O)N[C@@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1 ZINC000913559726 1034004951 /nfs/dbraw/zinc/00/49/51/1034004951.db2.gz OJISZSYLGXXTFZ-HNNXBMFYSA-N -1 0 344.459 3.517 20 0 EHADRM CC(C)(C)Cc1nc2cc([N-]S(=O)(=O)c3cccnc3)ccc2o1 ZINC000595869833 1034032767 /nfs/dbraw/zinc/03/27/67/1034032767.db2.gz YRZGEPUIQHMVOF-UHFFFAOYSA-N -1 0 345.424 3.612 20 0 EHADRM CCOC(=O)c1csc(=N[C@H](C)c2ccc(OC(C)C)cc2)[n-]1 ZINC000450279804 1034043083 /nfs/dbraw/zinc/04/30/83/1034043083.db2.gz WKTREDTWGADBAG-GFCCVEGCSA-N -1 0 334.441 3.702 20 0 EHADRM CN(Cc1ccc(Br)cc1)C(=O)c1c([O-])cccc1F ZINC000119028917 1034054107 /nfs/dbraw/zinc/05/41/07/1034054107.db2.gz CNEYHDJFAZARRU-UHFFFAOYSA-N -1 0 338.176 3.566 20 0 EHADRM Cc1oc([C@H](C)N(C)Cc2nc(-c3cccs3)no2)cc1C(=O)[O-] ZINC000517042055 1034112243 /nfs/dbraw/zinc/11/22/43/1034112243.db2.gz KJHPTFPAAYMFAI-VIFPVBQESA-N -1 0 347.396 3.591 20 0 EHADRM Cc1ccc(-c2cccc(CO[C@H]3CCOC3)c2)c(C)c1C(=O)[O-] ZINC000517041153 1034123745 /nfs/dbraw/zinc/12/37/45/1034123745.db2.gz HYKRTCDQFYGAMA-KRWDZBQOSA-N -1 0 326.392 3.974 20 0 EHADRM Cc1ccc(NC(=O)c2c([O-])cc(F)cc2F)cc1OC(F)F ZINC000604088471 1034200162 /nfs/dbraw/zinc/20/01/62/1034200162.db2.gz AKTKXBKLQBEOTR-UHFFFAOYSA-N -1 0 329.249 3.833 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(Sc3nncs3)cc2)c(O)c1 ZINC000119811799 1034248147 /nfs/dbraw/zinc/24/81/47/1034248147.db2.gz WANNGHHWXAUPCX-UHFFFAOYSA-N -1 0 343.433 3.956 20 0 EHADRM CCOc1cc2c(cc1NC(=O)c1c([O-])cccc1F)O[C@@H](C)C2 ZINC000119908244 1034272028 /nfs/dbraw/zinc/27/20/28/1034272028.db2.gz HQZWSNMOEXUEEI-JTQLQIEISA-N -1 0 331.343 3.506 20 0 EHADRM Cc1cc(=NC(=O)CCOc2ccccc2-c2ccccc2)[n-]nc1C ZINC000604233890 1034289007 /nfs/dbraw/zinc/28/90/07/1034289007.db2.gz AGOBLAUKQMUZHN-UHFFFAOYSA-N -1 0 347.418 3.590 20 0 EHADRM C[C@@H](Oc1cccc(/C=C2\C(=O)Nc3cc(Cl)ccc32)c1)C(=O)[O-] ZINC000060212487 1034296245 /nfs/dbraw/zinc/29/62/45/1034296245.db2.gz YAFBQIKAHFMWLQ-IIBSKXHVSA-N -1 0 343.766 3.685 20 0 EHADRM COC(=O)Nc1cc(NC(=O)c2ccc(Cl)cc2[O-])ccc1F ZINC000171298784 1034311491 /nfs/dbraw/zinc/31/14/91/1034311491.db2.gz NWDPZAVJQCKTCC-UHFFFAOYSA-N -1 0 338.722 3.615 20 0 EHADRM Cc1ccc2cccc([N-]S(=O)(=O)c3cccc4ncccc43)c2n1 ZINC000171345080 1034342804 /nfs/dbraw/zinc/34/28/04/1034342804.db2.gz CDZGRGIBBFGSIX-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM O=C(c1cccc(Br)c1[O-])N1CCCc2ccccc2C1 ZINC000534298836 1034356254 /nfs/dbraw/zinc/35/62/54/1034356254.db2.gz SCTKKOUWFCCZGP-UHFFFAOYSA-N -1 0 346.224 3.743 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2O)cc1C(C)C ZINC000193441329 1034395492 /nfs/dbraw/zinc/39/54/92/1034395492.db2.gz SWOMTUPQTOSCKN-UHFFFAOYSA-N -1 0 335.425 3.633 20 0 EHADRM CC[C@@H](C)N(C)C(=O)CCn1c(-c2ccc(C)cc2)n[nH]c1=S ZINC000171484607 1034409589 /nfs/dbraw/zinc/40/95/89/1034409589.db2.gz JZXJMZWNHRULJG-CYBMUJFWSA-N -1 0 332.473 3.563 20 0 EHADRM COc1cc(CNC(=O)CC[C@@H](C)c2ccccc2)ccc1C(=O)[O-] ZINC000450512723 1034450054 /nfs/dbraw/zinc/45/00/54/1034450054.db2.gz SGZBCRVOPUXNMN-CQSZACIVSA-N -1 0 341.407 3.594 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cccc(C(F)F)c1)C1CCCCC1 ZINC000450514091 1034453312 /nfs/dbraw/zinc/45/33/12/1034453312.db2.gz YVLQVJNAVNORRL-AWEZNQCLSA-N -1 0 325.355 3.778 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)N[C@H](c2ccccc2)C2CC2)s[n-]1 ZINC000604801766 1034507985 /nfs/dbraw/zinc/50/79/85/1034507985.db2.gz PXUWQAHIYNOUMV-CYBMUJFWSA-N -1 0 330.457 3.530 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1cc2cccc(F)c2o1 ZINC000450539573 1034513107 /nfs/dbraw/zinc/51/31/07/1034513107.db2.gz LMSOBSAXRZEFNI-CYZMBNFOSA-N -1 0 333.359 3.640 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2csc3c2CCCC3)cc1 ZINC000060494340 1034610296 /nfs/dbraw/zinc/61/02/96/1034610296.db2.gz XNDLEIDSGIZKQU-UHFFFAOYSA-N -1 0 335.450 3.629 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)[C@@H](C)CCC(C)(C)C ZINC000755784845 1034801401 /nfs/dbraw/zinc/80/14/01/1034801401.db2.gz FPXBHXHBBOSIED-LBPRGKRZSA-N -1 0 345.892 3.916 20 0 EHADRM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2cccc(Cl)c2O)c1 ZINC000605613510 1034802941 /nfs/dbraw/zinc/80/29/41/1034802941.db2.gz MHFWWNOMVVQPFB-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2O)cc1C ZINC000605613282 1034803628 /nfs/dbraw/zinc/80/36/28/1034803628.db2.gz DIZAKTFEWOPDGC-UHFFFAOYSA-N -1 0 341.816 3.554 20 0 EHADRM Fc1cccc(COc2ccc(CN=c3[n-]c(C4CC4)no3)cc2)c1 ZINC000605691122 1034820382 /nfs/dbraw/zinc/82/03/82/1034820382.db2.gz GVMVAGOWEKTIQH-UHFFFAOYSA-N -1 0 339.370 3.699 20 0 EHADRM O=S(=O)([N-]c1cnoc1-c1ccccc1)c1cccc(Cl)c1 ZINC000511344913 1034836315 /nfs/dbraw/zinc/83/63/15/1034836315.db2.gz LWVIUGQWNNCIKJ-UHFFFAOYSA-N -1 0 334.784 3.796 20 0 EHADRM C[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1cccc(Cl)c1[O-] ZINC000605877501 1034842719 /nfs/dbraw/zinc/84/27/19/1034842719.db2.gz ILSPHTKBSSYIEH-NSHDSACASA-N -1 0 331.799 3.940 20 0 EHADRM Cc1[nH]c(-c2ccccc2)nc1C(=O)Nc1cccc(Cl)c1[O-] ZINC000605876023 1034842879 /nfs/dbraw/zinc/84/28/79/1034842879.db2.gz CYMXTMUZEGPOAA-UHFFFAOYSA-N -1 0 327.771 3.996 20 0 EHADRM CC(C)(c1n[n-]c(=NC(=O)NCCCC2CC2)s1)c1ccccc1 ZINC000605923768 1034847466 /nfs/dbraw/zinc/84/74/66/1034847466.db2.gz MDEASWVHGQXILI-UHFFFAOYSA-N -1 0 344.484 3.598 20 0 EHADRM CCCCc1ccc(NC(=O)N[C@H](CC(F)(F)F)C(=O)[O-])cc1 ZINC000391503732 1035012720 /nfs/dbraw/zinc/01/27/20/1035012720.db2.gz ARPIYUBJQIAOBO-GFCCVEGCSA-N -1 0 332.322 3.556 20 0 EHADRM O=S(=O)([N-]c1ccc(OCC2CC2)cc1)c1sccc1Cl ZINC000451008756 1035027376 /nfs/dbraw/zinc/02/73/76/1035027376.db2.gz HXSNVBFRWXTVFN-UHFFFAOYSA-N -1 0 343.857 3.991 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(Cc1cnc(C(=O)[O-])cn1)C1CC1 ZINC000530161643 1035031637 /nfs/dbraw/zinc/03/16/37/1035031637.db2.gz JPIPAHMZAREWNY-NSHDSACASA-N -1 0 331.803 3.554 20 0 EHADRM C[C@H](C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1cc2ccccc2o1 ZINC000347355347 1035040825 /nfs/dbraw/zinc/04/08/25/1035040825.db2.gz WHUAABDVTXXMMR-SUMWQHHRSA-N -1 0 349.386 3.747 20 0 EHADRM O=C(c1ccc2oc(=O)nc-2[n-]1)N1CCC[C@H]1CCC1CCCCC1 ZINC000612578448 1035073533 /nfs/dbraw/zinc/07/35/33/1035073533.db2.gz OASZBBOGWPSXKR-AWEZNQCLSA-N -1 0 343.427 3.894 20 0 EHADRM CC(C)c1ncc(C(=O)Nc2ccc3c(ccn3CC(=O)[O-])c2)s1 ZINC000431665175 1035156431 /nfs/dbraw/zinc/15/64/31/1035156431.db2.gz NVUFUWQDECHLEK-UHFFFAOYSA-N -1 0 343.408 3.558 20 0 EHADRM CCC[C@@H](CC1CCCCC1)C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000584496704 1035186441 /nfs/dbraw/zinc/18/64/41/1035186441.db2.gz PLEQNLWEGCAVDR-HOTGVXAUSA-N -1 0 348.491 3.603 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[C@H]1C(=O)[O-] ZINC000317068105 1035241329 /nfs/dbraw/zinc/24/13/29/1035241329.db2.gz WFNKTESZDIGGJF-VXGBXAGGSA-N -1 0 325.792 3.568 20 0 EHADRM Cc1ccc(NC(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)cc1Cl ZINC000570465162 1035276860 /nfs/dbraw/zinc/27/68/60/1035276860.db2.gz CPXVZHGSAJNYDC-OAHLLOKOSA-N -1 0 332.787 3.938 20 0 EHADRM CC(C)(C)[NH+]=c1[n-]nc([C@H]2CCO[C@@H]2c2ccccc2)n1CC1CC1 ZINC000612896144 1035284887 /nfs/dbraw/zinc/28/48/87/1035284887.db2.gz OQRPKQNELDTKOV-DLBZAZTESA-N -1 0 340.471 3.566 20 0 EHADRM CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1N=c1[n-]nc(C(F)F)s1 ZINC000376234113 1035484547 /nfs/dbraw/zinc/48/45/47/1035484547.db2.gz BEAJNBMDTDXAKW-JHJVBQTASA-N -1 0 339.411 3.661 20 0 EHADRM Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1ccc([O-])c([N+](=O)[O-])c1 ZINC000006430544 1035500245 /nfs/dbraw/zinc/50/02/45/1035500245.db2.gz GQIJPPDFNSEUJF-MDWZMJQESA-N -1 0 347.330 3.880 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@H](C)Cc2ccc(C(F)(F)F)cc2)s[n-]1 ZINC000509714871 1035524027 /nfs/dbraw/zinc/52/40/27/1035524027.db2.gz UFYMCICRULZMLI-ZJUUUORDSA-N -1 0 345.390 3.729 20 0 EHADRM CC(C)Oc1ccccc1[C@H](C)NC(=O)c1cccc(C(=O)[O-])c1 ZINC000540666810 1035557293 /nfs/dbraw/zinc/55/72/93/1035557293.db2.gz PUVROYUXJFABSP-ZDUSSCGKSA-N -1 0 327.380 3.663 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Cc1csc2ccccc12)C1CCCCC1 ZINC000540704103 1035585578 /nfs/dbraw/zinc/58/55/78/1035585578.db2.gz QSIWRAHNWRAWDM-INIZCTEOSA-N -1 0 345.464 3.984 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCc1ccccc1Cl)C1CCCCC1 ZINC000540707172 1035588296 /nfs/dbraw/zinc/58/82/96/1035588296.db2.gz WPSAAXDRLOFAHJ-INIZCTEOSA-N -1 0 337.847 3.812 20 0 EHADRM CC(C)C[C@H](CNC(=O)N(C)[C@@H](C)c1cccc(Cl)c1)C(=O)[O-] ZINC000321302231 1035626799 /nfs/dbraw/zinc/62/67/99/1035626799.db2.gz CAUCRCVPGCBYCP-GXTWGEPZSA-N -1 0 340.851 3.789 20 0 EHADRM Brc1ccsc1CN=c1[n-]c(-c2ccccc2)no1 ZINC000588162634 1035731396 /nfs/dbraw/zinc/73/13/96/1035731396.db2.gz NUSJFOCDBIWNDD-UHFFFAOYSA-N -1 0 336.214 3.595 20 0 EHADRM Brc1ccc(CN=c2[n-]c(-c3ccccc3)no2)s1 ZINC000588160131 1035733352 /nfs/dbraw/zinc/73/33/52/1035733352.db2.gz HQWXIPCPMVIKBA-UHFFFAOYSA-N -1 0 336.214 3.595 20 0 EHADRM O=C(c1cnn(-c2ccc(OC(F)F)cc2)c1)c1cc(F)ccc1[O-] ZINC000588176100 1035801154 /nfs/dbraw/zinc/80/11/54/1035801154.db2.gz CRJPNZKGPYTNOY-UHFFFAOYSA-N -1 0 348.280 3.549 20 0 EHADRM CC(C)c1ccc(S(=O)(=O)[N-]c2cnccc2N2CCCC2)cc1 ZINC000571936924 1035841264 /nfs/dbraw/zinc/84/12/64/1035841264.db2.gz LUJSIJMMXRBCMX-UHFFFAOYSA-N -1 0 345.468 3.606 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)N[C@H](C)c1cccc2ccccc21)C1CC1 ZINC000572194996 1036038958 /nfs/dbraw/zinc/03/89/58/1036038958.db2.gz OHYVDZUHKWWCLB-FZKQIMNGSA-N -1 0 340.423 3.938 20 0 EHADRM Cc1cc(-c2ccc(C3(CO)CC3)cc2)ccc1SCC(=O)[O-] ZINC000521646130 1036053223 /nfs/dbraw/zinc/05/32/23/1036053223.db2.gz OWXAVVXDJDSUEE-UHFFFAOYSA-N -1 0 328.433 3.863 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000263112177 1036093760 /nfs/dbraw/zinc/09/37/60/1036093760.db2.gz DOMSLKOKUISWOL-AAEUAGOBSA-N -1 0 347.411 3.880 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)c1cscc1C(F)F ZINC000909668563 1036094675 /nfs/dbraw/zinc/09/46/75/1036094675.db2.gz KTEJPJFJEFYLPD-GFCCVEGCSA-N -1 0 331.384 3.839 20 0 EHADRM CC(C)(C)n1cc(/C=C(\CC(=O)[O-])c2nc3ccccc3s2)nn1 ZINC000191215934 1036350345 /nfs/dbraw/zinc/35/03/45/1036350345.db2.gz RNIVRDJREVWQAF-DHZHZOJOSA-N -1 0 342.424 3.658 20 0 EHADRM CCCc1cc(C(=O)N=c2ncn(C3CCCCC3)[n-]2)sc1C ZINC000541530118 1036414413 /nfs/dbraw/zinc/41/44/13/1036414413.db2.gz UVZWDZCHWNMRCL-UHFFFAOYSA-N -1 0 332.473 3.780 20 0 EHADRM O=S(=O)(N[C@@H]1CSc2ccccc21)c1c(F)cccc1Cl ZINC000464430426 1036431346 /nfs/dbraw/zinc/43/13/46/1036431346.db2.gz ZEQYWJZPXJQZOY-GFCCVEGCSA-N -1 0 343.832 3.604 20 0 EHADRM CCCOc1ccc([C@@H](C)Nc2ncccc2C(=O)[O-])cc1OC ZINC000613518662 1036438867 /nfs/dbraw/zinc/43/88/67/1036438867.db2.gz PDORFFCTUZJHCK-GFCCVEGCSA-N -1 0 330.384 3.750 20 0 EHADRM Cc1ccccc1[C@]1(F)CCN(C(=O)CC2CCC(C(=O)[O-])CC2)C1 ZINC000572767295 1036513034 /nfs/dbraw/zinc/51/30/34/1036513034.db2.gz AJSLNQRXDFFKIX-PMTKGXAQSA-N -1 0 347.430 3.673 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCCSc2ccccc21 ZINC000541639382 1036533510 /nfs/dbraw/zinc/53/35/10/1036533510.db2.gz JWOQYIZVAZLRRT-UHFFFAOYSA-N -1 0 339.338 3.952 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)C(F)(F)F ZINC000541673403 1036548490 /nfs/dbraw/zinc/54/84/90/1036548490.db2.gz UYNPFIATSWMFKT-NSHDSACASA-N -1 0 329.240 3.516 20 0 EHADRM CCCCCn1nc(C)cc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000541675925 1036550953 /nfs/dbraw/zinc/55/09/53/1036550953.db2.gz NUKQYHJJBQOHDV-UHFFFAOYSA-N -1 0 341.333 3.757 20 0 EHADRM CCCc1ccc(C(=O)N[C@@H](C)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000263174083 1036603550 /nfs/dbraw/zinc/60/35/50/1036603550.db2.gz WLIVRCDOBNDGHG-AWEZNQCLSA-N -1 0 341.407 3.594 20 0 EHADRM Cc1[nH][nH]c(=O)c1NC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000615221127 1036626775 /nfs/dbraw/zinc/62/67/75/1036626775.db2.gz IXSVTFJYDUKQMZ-UHFFFAOYSA-N -1 0 327.306 3.516 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000263218491 1036650173 /nfs/dbraw/zinc/65/01/73/1036650173.db2.gz OOFCVQPXTYQUFI-KOLCDFICSA-N -1 0 335.400 3.674 20 0 EHADRM CCC[C@H](CNC(=O)CC(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000263223228 1036652983 /nfs/dbraw/zinc/65/29/83/1036652983.db2.gz RCNOPSOHTGPDMB-GOSISDBHSA-N -1 0 339.435 3.826 20 0 EHADRM Cc1cc(F)c(S(=O)(=O)[N-]c2cccc3ccncc32)cc1F ZINC000532406432 1036680491 /nfs/dbraw/zinc/68/04/91/1036680491.db2.gz JVHFKXKOVDGVGC-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)c2cc3ccc(Cl)cc3[nH]2)s[n-]1 ZINC000590120338 1036763231 /nfs/dbraw/zinc/76/32/31/1036763231.db2.gz JRDQJJDUFNJOPN-UHFFFAOYSA-N -1 0 334.832 3.645 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)c2cc3cc(F)ccc3s2)s[n-]1 ZINC000590120266 1036763681 /nfs/dbraw/zinc/76/36/81/1036763681.db2.gz XTJVWUSLSJMIKD-UHFFFAOYSA-N -1 0 335.429 3.864 20 0 EHADRM O=S(=O)([N-]c1cnc2ccccc2n1)c1ccc2ccccc2c1 ZINC000177092535 1036766899 /nfs/dbraw/zinc/76/68/99/1036766899.db2.gz KMYYZTYMFMKGFT-UHFFFAOYSA-N -1 0 335.388 3.584 20 0 EHADRM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2ccccc2c1 ZINC000321453021 1036767080 /nfs/dbraw/zinc/76/70/80/1036767080.db2.gz XODXXHMQZIYKRX-UHFFFAOYSA-N -1 0 347.417 3.709 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)N[C@H](CC(=O)[O-])c1ccccc1C ZINC000263351999 1036801186 /nfs/dbraw/zinc/80/11/86/1036801186.db2.gz VVFXVOHZDZNJSO-MSOLQXFVSA-N -1 0 347.455 3.755 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)N[C@@H](CC(=O)[O-])c1ccccc1C ZINC000263352002 1036802072 /nfs/dbraw/zinc/80/20/72/1036802072.db2.gz VVFXVOHZDZNJSO-ZWKOTPCHSA-N -1 0 347.455 3.755 20 0 EHADRM Cc1cccc([C@H]([N-]S(=O)(=O)CCC(C)(C)C)C(F)(F)F)c1 ZINC000541903870 1036806238 /nfs/dbraw/zinc/80/62/38/1036806238.db2.gz MHRQFWVDQUUQFC-ZDUSSCGKSA-N -1 0 337.407 3.954 20 0 EHADRM CC(C)[C@@H](C)N(C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1)C1CC1 ZINC000263377832 1036827047 /nfs/dbraw/zinc/82/70/47/1036827047.db2.gz CFFUBSATHVFGKL-WBVHZDCISA-N -1 0 346.471 3.681 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc(Cl)cc(Br)c2[O-])[C@@H]1C ZINC000176318747 1036858367 /nfs/dbraw/zinc/85/83/67/1036858367.db2.gz IQCRZKSSYZNOAL-HTQZYQBOSA-N -1 0 332.625 3.679 20 0 EHADRM CC(C)CC1(CNC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)CCC1 ZINC000464830965 1036868208 /nfs/dbraw/zinc/86/82/08/1036868208.db2.gz OTIJGBVWDBKYPH-IBGZPJMESA-N -1 0 331.456 3.752 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc3[nH]cnc32)cc1 ZINC000462373719 1036881644 /nfs/dbraw/zinc/88/16/44/1036881644.db2.gz AURFPLPZIZTVQI-GFCCVEGCSA-N -1 0 329.425 3.877 20 0 EHADRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)c1ccc(Oc2ccccc2)o1 ZINC000263426062 1036896934 /nfs/dbraw/zinc/89/69/34/1036896934.db2.gz JRKZHYNFEGPQPW-CABCVRRESA-N -1 0 343.379 3.835 20 0 EHADRM Cc1nc(=NC[C@H]2CC3c4ccccc4C2c2ccccc23)s[n-]1 ZINC000462382472 1036904395 /nfs/dbraw/zinc/90/43/95/1036904395.db2.gz BCMGBEGHFYKUSF-XYJCDUHRSA-N -1 0 333.460 3.978 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN1C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000263451423 1036938232 /nfs/dbraw/zinc/93/82/32/1036938232.db2.gz OHBNEWNGHXRKPX-MRXNPFEDSA-N -1 0 344.238 3.782 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cnc3c(c2)CCCC3)c1Cl ZINC000542002299 1036950849 /nfs/dbraw/zinc/95/08/49/1036950849.db2.gz FWTSPWFRAONNCY-UHFFFAOYSA-N -1 0 336.844 3.723 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nc3c(ccc(F)c3C)s2)cc1 ZINC000464904622 1036971166 /nfs/dbraw/zinc/97/11/66/1036971166.db2.gz ALRIHPGQCFAYSL-UHFFFAOYSA-N -1 0 336.413 3.853 20 0 EHADRM Cc1c2ccccc2oc1C(=O)N[C@H](CC(=O)[O-])C1CCCCC1 ZINC000539612112 1036976559 /nfs/dbraw/zinc/97/65/59/1036976559.db2.gz BBJHZTHAMPGUNE-OAHLLOKOSA-N -1 0 329.396 3.895 20 0 EHADRM Cc1cccc(Oc2ccc(NC(=O)N(C)C[C@@H](C)C(=O)[O-])cc2)c1 ZINC000263486137 1036979362 /nfs/dbraw/zinc/97/93/62/1036979362.db2.gz MUBSLDJSJQBNLX-CQSZACIVSA-N -1 0 342.395 3.972 20 0 EHADRM Fc1ccccc1-c1ccc(CN=c2[n-]nc(C(F)(F)F)o2)s1 ZINC000472597532 1037003888 /nfs/dbraw/zinc/00/38/88/1037003888.db2.gz ODBVSCMOBICXMS-UHFFFAOYSA-N -1 0 343.305 3.990 20 0 EHADRM O=C([O-])[C@H]1CCN(c2cc(C(F)F)nc3ccc(Cl)cc32)C1 ZINC000263536734 1037070306 /nfs/dbraw/zinc/07/03/06/1037070306.db2.gz ZQTIISCNXLIAMW-QMMMGPOBSA-N -1 0 326.730 3.737 20 0 EHADRM Cc1ccc(F)c(CN=c2[n-]nc(CCCc3ccccc3)o2)c1 ZINC000539693606 1037082947 /nfs/dbraw/zinc/08/29/47/1037082947.db2.gz RYWNLVMGWOGCAL-UHFFFAOYSA-N -1 0 325.387 3.726 20 0 EHADRM O=C([O-])CC[C@H](Cc1ccccc1)Nc1ccc(OC(F)F)cn1 ZINC000263550509 1037134339 /nfs/dbraw/zinc/13/43/39/1037134339.db2.gz KLKCAOFBHNAYIH-CYBMUJFWSA-N -1 0 336.338 3.571 20 0 EHADRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2c(C)cccc2Cl)c1C ZINC000414379435 1037148882 /nfs/dbraw/zinc/14/88/82/1037148882.db2.gz GCJXWRHKNUQKSK-LLVKDONJSA-N -1 0 341.864 3.925 20 0 EHADRM C[C@H]1CCN(C(=O)c2cccc(Nc3ccccc3)c2)C[C@@H]1C(=O)[O-] ZINC000573001732 1037152566 /nfs/dbraw/zinc/15/25/66/1037152566.db2.gz WVWNMUMNLJXWEK-KSSFIOAISA-N -1 0 338.407 3.613 20 0 EHADRM C/C(=C\c1ccccc1Cl)C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000761577819 1037166788 /nfs/dbraw/zinc/16/67/88/1037166788.db2.gz RKISXZGEUPWQBU-SDNWHVSQSA-N -1 0 343.810 3.857 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)CCCCCO[C@@H]1CCC[C@H](C)C1 ZINC000089286379 1037230767 /nfs/dbraw/zinc/23/07/67/1037230767.db2.gz ADTMIHCNDWAKPK-LSDHHAIUSA-N -1 0 331.478 3.614 20 0 EHADRM CC(C)(C)c1ccc(-c2ccc(CN3CCO[C@H](C(=O)[O-])C3)o2)cc1 ZINC000666581004 1037236585 /nfs/dbraw/zinc/23/65/85/1037236585.db2.gz WMFYLLVRXDKLNH-SFHVURJKSA-N -1 0 343.423 3.530 20 0 EHADRM CCc1ccc(O)c(C(=O)Nc2cc(-c3nc(C)no3)ccc2C)c1 ZINC000539841206 1037269309 /nfs/dbraw/zinc/26/93/09/1037269309.db2.gz MFPQVKPQJXBWMP-UHFFFAOYSA-N -1 0 337.379 3.874 20 0 EHADRM C[C@H](NC(=O)C1(C(=O)[O-])CC2(CCC2)C1)c1cc2ccccc2o1 ZINC000659118559 1037296809 /nfs/dbraw/zinc/29/68/09/1037296809.db2.gz JPDPNOCQSFADPB-LBPRGKRZSA-N -1 0 327.380 3.645 20 0 EHADRM O=C(Nc1cc(F)c(F)cc1F)c1cccc(Br)c1[O-] ZINC000539890263 1037315503 /nfs/dbraw/zinc/31/55/03/1037315503.db2.gz SIUKXERHWVJIFT-UHFFFAOYSA-N -1 0 346.102 3.824 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000659139700 1037356442 /nfs/dbraw/zinc/35/64/42/1037356442.db2.gz GMGOOYGHGLQTPB-QFYYESIMSA-N -1 0 331.343 3.649 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c(O)c1 ZINC000539942034 1037377844 /nfs/dbraw/zinc/37/78/44/1037377844.db2.gz FHTIVYRHPWFAQO-UHFFFAOYSA-N -1 0 346.433 3.625 20 0 EHADRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(C2CC2)cc1 ZINC000659145609 1037377973 /nfs/dbraw/zinc/37/79/73/1037377973.db2.gz HGZGEEKMTKAVOH-IBGZPJMESA-N -1 0 337.419 3.770 20 0 EHADRM CC1=CC[C@](C)(C(=O)N[C@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC000659158780 1037381782 /nfs/dbraw/zinc/38/17/82/1037381782.db2.gz FZVSNCBQYHCDJG-MDYRTPRTSA-N -1 0 329.440 3.571 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCC[C@H]2Cc2ccccc2)C1 ZINC000659153467 1037385538 /nfs/dbraw/zinc/38/55/38/1037385538.db2.gz YPMSBXLVNJSXMW-UEXGIBASSA-N -1 0 343.467 3.605 20 0 EHADRM O=C([N-]S(=O)(=O)C1=Cc2ccccc2CC1)c1ccc(Cl)cc1 ZINC000058035182 1037386805 /nfs/dbraw/zinc/38/68/05/1037386805.db2.gz PWLCHMOUTVEHRS-UHFFFAOYSA-N -1 0 347.823 3.962 20 0 EHADRM CSc1ccccc1[C@H](C)NC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC000659165554 1037398430 /nfs/dbraw/zinc/39/84/30/1037398430.db2.gz BPWDXHQVIQRCKP-LBPRGKRZSA-N -1 0 333.453 3.621 20 0 EHADRM O=C([O-])C1(C(=O)N2CCc3ccc(Cl)c(Cl)c3C2)CCCC1 ZINC000659170095 1037409209 /nfs/dbraw/zinc/40/92/09/1037409209.db2.gz ILNINVUJMNLNJO-UHFFFAOYSA-N -1 0 342.222 3.523 20 0 EHADRM CC(C)c1ccc2c(c1)CN(C(=O)Cc1ccccc1C(=O)[O-])CC2 ZINC000659170248 1037411963 /nfs/dbraw/zinc/41/19/63/1037411963.db2.gz KBJRFXNDIPYACG-UHFFFAOYSA-N -1 0 337.419 3.636 20 0 EHADRM O=C([O-])C1CCC(C(=O)NCc2ccc(-c3cccs3)cc2)CC1 ZINC000659170241 1037412007 /nfs/dbraw/zinc/41/20/07/1037412007.db2.gz JXKPCLHNAWTIJA-UHFFFAOYSA-N -1 0 343.448 3.922 20 0 EHADRM Cc1nc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)sc1C ZINC000170995374 1037413563 /nfs/dbraw/zinc/41/35/63/1037413563.db2.gz KFGHLBVDGGAFQU-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM COc1ccccc1C1(CN=c2nc(-c3ccccc3)[n-]s2)CC1 ZINC000462800467 1037418917 /nfs/dbraw/zinc/41/89/17/1037418917.db2.gz FGMQDORRJFPBTM-UHFFFAOYSA-N -1 0 337.448 3.779 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCc2ccccc2Cl)[C@H]2CCCC[C@@H]12 ZINC000659190293 1037445579 /nfs/dbraw/zinc/44/55/79/1037445579.db2.gz SSUYSZIHWOXVCF-UXLLHSPISA-N -1 0 349.858 3.765 20 0 EHADRM c1ccc(-c2nc(=N[C@H]3CCCN(c4ccccc4)C3)s[n-]2)cc1 ZINC000462848802 1037462758 /nfs/dbraw/zinc/46/27/58/1037462758.db2.gz WWAIASGQBXOFCN-INIZCTEOSA-N -1 0 336.464 3.708 20 0 EHADRM O=C(Cc1ccco1)Nc1cc(Br)cc(Cl)c1[O-] ZINC000342459771 1037463758 /nfs/dbraw/zinc/46/37/58/1037463758.db2.gz BFYWTGVYQBWCCM-UHFFFAOYSA-N -1 0 330.565 3.582 20 0 EHADRM O=C([O-])C[C@H](CNC(=O)c1sccc1-c1ccccc1)C1CC1 ZINC000659204998 1037471884 /nfs/dbraw/zinc/47/18/84/1037471884.db2.gz QPFJHGTZRDMYDS-CQSZACIVSA-N -1 0 329.421 3.646 20 0 EHADRM C[C@H](CC(=O)NC[C@H](CC(=O)[O-])C1CC1)Cc1ccc(Cl)cc1 ZINC000659208850 1037476375 /nfs/dbraw/zinc/47/63/75/1037476375.db2.gz LLXYRNPEHUABDM-WFASDCNBSA-N -1 0 337.847 3.526 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)NC[C@@H](CC(=O)[O-])C2CC2)cc1 ZINC000659209937 1037479273 /nfs/dbraw/zinc/47/92/73/1037479273.db2.gz RCQDDJFRVLUVNC-DDKKJVIOSA-N -1 0 329.440 3.830 20 0 EHADRM O=C(N=c1[n-]nc(C2CC2)s1)N[C@H]1CCC[C@H](c2ccccc2)C1 ZINC000573420205 1037490433 /nfs/dbraw/zinc/49/04/33/1037490433.db2.gz LSAIVPZCPAJFKW-GJZGRUSLSA-N -1 0 342.468 3.685 20 0 EHADRM O=C(/C=C/COCC(F)(F)F)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000493707111 1037569287 /nfs/dbraw/zinc/56/92/87/1037569287.db2.gz NMSMCJKQDKGQDH-OWOJBTEDSA-N -1 0 344.116 3.773 20 0 EHADRM O=S(=O)(Cc1cc(Cl)ccc1Cl)c1nc2ccccc2[n-]1 ZINC000462952311 1037575470 /nfs/dbraw/zinc/57/54/70/1037575470.db2.gz JBEPXSHVBAZSRZ-UHFFFAOYSA-N -1 0 341.219 3.844 20 0 EHADRM CCCCc1ccc(NC(=S)N[N-]C(=O)c2ccc(C)o2)cc1 ZINC000031490165 1037611649 /nfs/dbraw/zinc/61/16/49/1037611649.db2.gz FQYDQEKQEBADQA-UHFFFAOYSA-N -1 0 331.441 3.562 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCCO[C@@H](c2ccccc2)C1 ZINC000591831248 1037642711 /nfs/dbraw/zinc/64/27/11/1037642711.db2.gz DXVWXZRTVYXSCF-QGZVFWFLSA-N -1 0 331.799 3.649 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)N[C@@H](C)c3cc(C)cc(C)c3)cc2=O)cc1 ZINC000172792218 1037659472 /nfs/dbraw/zinc/65/94/72/1037659472.db2.gz SOSJBYDJXOYMSM-INIZCTEOSA-N -1 0 349.434 3.582 20 0 EHADRM CCO[C@H]1C[C@@H](N=c2nc(-c3ccccc3)[n-]s2)C12CCCC2 ZINC000463021328 1037666750 /nfs/dbraw/zinc/66/67/50/1037666750.db2.gz AMXNEQALUJOOEQ-CABCVRRESA-N -1 0 329.469 3.777 20 0 EHADRM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc3c2OCCC3)cc1 ZINC000540217980 1037701072 /nfs/dbraw/zinc/70/10/72/1037701072.db2.gz WVUGUYWTTKIURV-UHFFFAOYSA-N -1 0 347.436 3.600 20 0 EHADRM COC(=O)Nc1cccc(NC(=O)c2ccc3[n-]c(=S)oc3c2)c1 ZINC000491833895 1037705135 /nfs/dbraw/zinc/70/51/35/1037705135.db2.gz HQUQMGOOWOURLY-UHFFFAOYSA-N -1 0 343.364 3.547 20 0 EHADRM CCc1c([N-]S(=O)(=O)c2cccc(CC)c2)cnn1CCC(C)C ZINC000491849176 1037717928 /nfs/dbraw/zinc/71/79/28/1037717928.db2.gz KXZSINBLGAJLNV-UHFFFAOYSA-N -1 0 349.500 3.855 20 0 EHADRM COc1cc(CN=c2[n-]nc(-c3ccccc3)s2)c2ccccc2n1 ZINC000463088264 1037746250 /nfs/dbraw/zinc/74/62/50/1037746250.db2.gz XUKKWSMXNZGLOQ-UHFFFAOYSA-N -1 0 348.431 3.796 20 0 EHADRM COc1ccc(SCCC(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000532594990 1037751623 /nfs/dbraw/zinc/75/16/23/1037751623.db2.gz OJAXBXZWLPGSSZ-UHFFFAOYSA-N -1 0 345.420 3.823 20 0 EHADRM C[C@H](NC(=O)N(CC(=O)[O-])C1CCCC1)c1cccc2ccccc21 ZINC000573874065 1037791869 /nfs/dbraw/zinc/79/18/69/1037791869.db2.gz OAXISCDTVVWCFD-AWEZNQCLSA-N -1 0 340.423 3.940 20 0 EHADRM CCc1sc(C(=O)N[C@H](CC(=O)[O-])c2cccc(OC)c2)cc1C ZINC000532600174 1037812597 /nfs/dbraw/zinc/81/25/97/1037812597.db2.gz SUNWVNXPYCLSPU-CQSZACIVSA-N -1 0 347.436 3.573 20 0 EHADRM CCC[C@]1(C)CCCN(C(=O)CSc2n[n-]c(=S)s2)C1 ZINC000176492030 1037820166 /nfs/dbraw/zinc/82/01/66/1037820166.db2.gz BBJVMZHGYQQEQJ-CYBMUJFWSA-N -1 0 331.532 3.722 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)/C=C/SCc1ccco1 ZINC000492031067 1037887546 /nfs/dbraw/zinc/88/75/46/1037887546.db2.gz LIWGYDQOHCYSNC-FNORWQNLSA-N -1 0 331.393 3.980 20 0 EHADRM Cc1cccc([C@@H](C)Sc2n[n-]c(=NC[C@@H]3CCCO3)s2)c1 ZINC000463261534 1037944455 /nfs/dbraw/zinc/94/44/55/1037944455.db2.gz UYSKPTPZWKPYRK-OCCSQVGLSA-N -1 0 335.498 3.713 20 0 EHADRM C[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)C(C)(C)c1ccccc1 ZINC000183557275 1037955249 /nfs/dbraw/zinc/95/52/49/1037955249.db2.gz KHNIHFJROXRECI-JTQLQIEISA-N -1 0 337.341 3.906 20 0 EHADRM COC(=O)Nc1cc(NC(=O)c2ccc([O-])c(Cl)c2)ccc1F ZINC000183552786 1037956263 /nfs/dbraw/zinc/95/62/63/1037956263.db2.gz YPEZIKOSULPCOF-UHFFFAOYSA-N -1 0 338.722 3.615 20 0 EHADRM C[C@@H](NC(=O)c1ccc2oc(=O)nc-2[n-]1)c1cccc2ccccc21 ZINC000646557151 1038021548 /nfs/dbraw/zinc/02/15/48/1038021548.db2.gz FGDDNRWGVJLJRY-LLVKDONJSA-N -1 0 333.347 3.573 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)/C=C/C2CCC2)c2ccccc12 ZINC000492157571 1038058692 /nfs/dbraw/zinc/05/86/92/1038058692.db2.gz TZLRVJAFZKAIHC-DHZHZOJOSA-N -1 0 325.364 3.598 20 0 EHADRM CC[C@H](NC(=O)N1CCC(C)(C(=O)[O-])CC1)c1ccc(Cl)s1 ZINC000646149372 1038122506 /nfs/dbraw/zinc/12/25/06/1038122506.db2.gz RSZMGYWVUCPINX-JTQLQIEISA-N -1 0 344.864 3.749 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)C1 ZINC000659146692 1038243638 /nfs/dbraw/zinc/24/36/38/1038243638.db2.gz VUPJXWMHXHKLLY-YNEHKIRRSA-N -1 0 349.393 3.705 20 0 EHADRM Cc1sc(/C=C\c2ccc(Oc3cnccn3)cc2)nc1C(=O)[O-] ZINC000339115573 1038328491 /nfs/dbraw/zinc/32/84/91/1038328491.db2.gz YSHVIPIPCYEFMT-DAXSKMNVSA-N -1 0 339.376 3.902 20 0 EHADRM CC(C)CCc1n[n-]c(=NCc2ccc(OC(F)(F)F)cc2)o1 ZINC000538592881 1038405815 /nfs/dbraw/zinc/40/58/15/1038405815.db2.gz TXGKIEJXWSYIMK-UHFFFAOYSA-N -1 0 329.322 3.591 20 0 EHADRM CC(C)[C@H](C)N(C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-])C1CC1 ZINC000667135006 1038512641 /nfs/dbraw/zinc/51/26/41/1038512641.db2.gz OHIOKJFPZBOGBU-NSHDSACASA-N -1 0 349.381 3.505 20 0 EHADRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)C[C@@H](C)c1ccc(C(C)C)cc1 ZINC000181960273 1038515966 /nfs/dbraw/zinc/51/59/66/1038515966.db2.gz JZVBIUSQZUSPKM-ZIAGYGMSSA-N -1 0 325.474 3.548 20 0 EHADRM COc1cccc(N=c2[n-]nc(S[C@@H](C)c3ncc(C)o3)s2)c1 ZINC000538898777 1038584446 /nfs/dbraw/zinc/58/44/46/1038584446.db2.gz ATKCZRICTPPSAE-JTQLQIEISA-N -1 0 348.453 3.862 20 0 EHADRM CCCc1nc(=N[C@H](C)c2ccc(SCCOC)cc2)s[n-]1 ZINC000461770564 1038601331 /nfs/dbraw/zinc/60/13/31/1038601331.db2.gz WYNASXNIECAEOL-GFCCVEGCSA-N -1 0 337.514 3.824 20 0 EHADRM O=C([O-])C1(CNC(=O)C2(c3ccccc3F)CCCC2)CCCCC1 ZINC000431876722 1038684010 /nfs/dbraw/zinc/68/40/10/1038684010.db2.gz CXSPJNUTLDHMNX-UHFFFAOYSA-N -1 0 347.430 3.789 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)Cc2ccccc2-3)o1 ZINC000539115952 1038693401 /nfs/dbraw/zinc/69/34/01/1038693401.db2.gz UJULVYKQUUUNGH-UHFFFAOYSA-N -1 0 325.389 3.960 20 0 EHADRM C[C@H](c1ccc(C(=O)N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)cc1)C(F)(F)F ZINC000910261301 1038782583 /nfs/dbraw/zinc/78/25/83/1038782583.db2.gz VRHRUKBBCYLSPM-GLKRBJQHSA-N -1 0 343.345 3.535 20 0 EHADRM CC[C@@H]1C[C@H](C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CCO1 ZINC000910247965 1038786048 /nfs/dbraw/zinc/78/60/48/1038786048.db2.gz QFNKCDCZPXPJJC-CHWSQXEVSA-N -1 0 327.380 3.682 20 0 EHADRM CC1=C(c2ccco2)CN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC1 ZINC000910251229 1038789896 /nfs/dbraw/zinc/78/98/96/1038789896.db2.gz HCOJVEOBCJLYGH-UHFFFAOYSA-N -1 0 343.423 3.711 20 0 EHADRM CCC(CC)n1ccc(CN(C)[C@H](C(=O)[O-])c2cccc(OC)c2)n1 ZINC000905369201 1038845920 /nfs/dbraw/zinc/84/59/20/1038845920.db2.gz AZIKRPJWXDRSAV-SFHVURJKSA-N -1 0 345.443 3.511 20 0 EHADRM CCOc1cc(C(=O)N[C@@H](CC)c2ccccn2)cc(Cl)c1O ZINC000910365891 1038863392 /nfs/dbraw/zinc/86/33/92/1038863392.db2.gz XWICTXNUIJWUNY-ZDUSSCGKSA-N -1 0 334.803 3.720 20 0 EHADRM Cc1nc(C2CCN(C(=O)C[C@@H]3C=CCCC3)CC2)sc1C(=O)[O-] ZINC000910353430 1038878846 /nfs/dbraw/zinc/87/88/46/1038878846.db2.gz AKPATASCKMGTFX-CYBMUJFWSA-N -1 0 348.468 3.602 20 0 EHADRM C[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1ccccc1Cl)C(F)(F)F ZINC000910405824 1038887901 /nfs/dbraw/zinc/88/79/01/1038887901.db2.gz MBUKAFLPGYGFOX-GZMMTYOYSA-N -1 0 337.725 3.561 20 0 EHADRM Cc1ccc([C@H]2CCN(C(=O)c3ccoc3CC(=O)[O-])C2(C)C)cc1 ZINC000910412443 1038899306 /nfs/dbraw/zinc/89/93/06/1038899306.db2.gz XLZUMZTWAALBEE-MRXNPFEDSA-N -1 0 341.407 3.623 20 0 EHADRM CCOC(=O)CC(C)(C)CC(=O)Nc1ccc(O)c(C(F)(F)F)c1 ZINC000500519964 1038901169 /nfs/dbraw/zinc/90/11/69/1038901169.db2.gz PNSMYLBEAHOMGW-UHFFFAOYSA-N -1 0 347.333 3.719 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN(C(=O)c1cscc1C(F)F)C2 ZINC000910501148 1038949943 /nfs/dbraw/zinc/94/99/43/1038949943.db2.gz CWGKSSSDIPWXDO-UHFFFAOYSA-N -1 0 337.347 3.582 20 0 EHADRM C[C@H]1c2sccc2CCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000910503589 1038951308 /nfs/dbraw/zinc/95/13/08/1038951308.db2.gz FADKCRSMEYLGKQ-LBPRGKRZSA-N -1 0 329.421 3.525 20 0 EHADRM CC(C)O[C@@H](CSc1n[n-]c(=NC2CC2)s1)c1ccccc1 ZINC000488230788 1038979235 /nfs/dbraw/zinc/97/92/35/1038979235.db2.gz GUEZJRFKKVEHID-AWEZNQCLSA-N -1 0 335.498 3.793 20 0 EHADRM CCCCCC[C@H](CC)C(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC000910618496 1038991703 /nfs/dbraw/zinc/99/17/03/1038991703.db2.gz PPIWNZBSHMONBE-UYFTZEKXSA-N -1 0 339.476 3.512 20 0 EHADRM CCC[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1OCC)c1ccccn1 ZINC000910624871 1038995203 /nfs/dbraw/zinc/99/52/03/1038995203.db2.gz WHXQBLKGBPJCTN-AWEZNQCLSA-N -1 0 342.395 3.701 20 0 EHADRM Cc1ccc(C(=O)Nc2cn(C)nc2C2CCCCC2)cc1C(=O)[O-] ZINC000910664028 1039009632 /nfs/dbraw/zinc/00/96/32/1039009632.db2.gz RQOUDJAYLNWDFA-UHFFFAOYSA-N -1 0 341.411 3.727 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)[C@H]2CCCC3(CC3)C2)nc1C(=O)[O-] ZINC000910720737 1039030961 /nfs/dbraw/zinc/03/09/61/1039030961.db2.gz LYIONBDZSGSJDG-QWHCGFSZSA-N -1 0 348.468 3.784 20 0 EHADRM CCC[C@@H](C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)c1ccccn1 ZINC000910740366 1039047715 /nfs/dbraw/zinc/04/77/15/1039047715.db2.gz XAGYTZOUVORCMF-LLVKDONJSA-N -1 0 345.424 3.636 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cc(C3CC3)nc(C)n2)cc1CC ZINC000485434890 1039068317 /nfs/dbraw/zinc/06/83/17/1039068317.db2.gz SZZDBWHWPQKYQY-UHFFFAOYSA-N -1 0 345.468 3.588 20 0 EHADRM CC(C)CCS(=O)(=O)[N-][C@H](CCc1ccccc1)C(F)(F)F ZINC000480045688 1039075417 /nfs/dbraw/zinc/07/54/17/1039075417.db2.gz MHGQDJSPHBUORJ-CQSZACIVSA-N -1 0 337.407 3.516 20 0 EHADRM O=C([O-])c1cc2cccnc2c(NCc2ccc(N3CCCC3)nc2)c1 ZINC000905760667 1039092051 /nfs/dbraw/zinc/09/20/51/1039092051.db2.gz QPLDTTXRHMEFKO-UHFFFAOYSA-N -1 0 348.406 3.540 20 0 EHADRM COCCC1(C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)CCCC1 ZINC000910949339 1039153760 /nfs/dbraw/zinc/15/37/60/1039153760.db2.gz JMGPVLKMMXBAKB-UHFFFAOYSA-N -1 0 337.441 3.642 20 0 EHADRM CSc1ccc(NC(=O)c2csc(C3CC3)n2)cc1C(=O)[O-] ZINC000910950593 1039153799 /nfs/dbraw/zinc/15/37/99/1039153799.db2.gz XUIIKETWXHDAGU-UHFFFAOYSA-N -1 0 334.422 3.693 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1CCC(=O)c2ccccc21 ZINC000910958934 1039157441 /nfs/dbraw/zinc/15/74/41/1039157441.db2.gz NGWARYATOGFNHC-MRXNPFEDSA-N -1 0 337.375 3.646 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)OCCc1ccccc1 ZINC000910959798 1039159611 /nfs/dbraw/zinc/15/96/11/1039159611.db2.gz UWZKXIXOADCPJU-CQSZACIVSA-N -1 0 341.407 3.534 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)OCCc1ccccc1 ZINC000910959796 1039159648 /nfs/dbraw/zinc/15/96/48/1039159648.db2.gz UWZKXIXOADCPJU-AWEZNQCLSA-N -1 0 341.407 3.534 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1CCc2cccc(OC)c21 ZINC000910959832 1039160279 /nfs/dbraw/zinc/16/02/79/1039160279.db2.gz VNNFJBHQHQLFGN-HNNXBMFYSA-N -1 0 339.391 3.624 20 0 EHADRM CCC(CC)n1ccc(C(=O)N(CC)c2cccc(C(=O)[O-])c2)n1 ZINC000910966119 1039162249 /nfs/dbraw/zinc/16/22/49/1039162249.db2.gz HDMGRWLJYDGLSF-UHFFFAOYSA-N -1 0 329.400 3.609 20 0 EHADRM CCN(C(=O)c1sc([C@H](C)OC)nc1C)c1cccc(C(=O)[O-])c1 ZINC000910968369 1039171743 /nfs/dbraw/zinc/17/17/43/1039171743.db2.gz VRMXAJGOVFQUOC-NSHDSACASA-N -1 0 348.424 3.524 20 0 EHADRM COc1ccc2cc(NC(=O)c3cc(F)c(F)c([O-])c3F)ccc2n1 ZINC000185785493 1039212657 /nfs/dbraw/zinc/21/26/57/1039212657.db2.gz SMERKFGFLMNFKI-UHFFFAOYSA-N -1 0 348.280 3.619 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)CC1(CCc2ccccc2)CCCC1 ZINC000485545836 1039224016 /nfs/dbraw/zinc/22/40/16/1039224016.db2.gz OYMMCUVIXHBPHC-UHFFFAOYSA-N -1 0 331.456 3.893 20 0 EHADRM C/C(=C/C(=O)N(CCC(=O)[O-])C1CC1)c1cccc(C(F)(F)F)c1 ZINC000236618411 1039228377 /nfs/dbraw/zinc/22/83/77/1039228377.db2.gz QRPMUPPMLDFHEP-LUAWRHEFSA-N -1 0 341.329 3.574 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(N3CCCCC3)cc2)CC2(CCC2)C1 ZINC000911085944 1039241838 /nfs/dbraw/zinc/24/18/38/1039241838.db2.gz AZIDCDZRIIWSRV-UHFFFAOYSA-N -1 0 342.439 3.651 20 0 EHADRM CC(C)(CNC(=O)c1cc(-c2ccccc2)nc2ccccc21)C(=O)[O-] ZINC000236715530 1039245367 /nfs/dbraw/zinc/24/53/67/1039245367.db2.gz YPJAOHMHJDIVTG-UHFFFAOYSA-N -1 0 348.402 3.742 20 0 EHADRM Clc1ccccc1-c1n[n-]c(=N[C@H]2CCOC3(CCC3)C2)s1 ZINC000545474391 1039249675 /nfs/dbraw/zinc/24/96/75/1039249675.db2.gz WIANHDDNTOSOCJ-NSHDSACASA-N -1 0 335.860 3.794 20 0 EHADRM O=C([O-])C1CCC(CC(=O)Nc2c(F)cccc2NC2CC2)CC1 ZINC000911235771 1039291680 /nfs/dbraw/zinc/29/16/80/1039291680.db2.gz GFUIJLYPOKIHOT-UHFFFAOYSA-N -1 0 334.391 3.620 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])[C@@H](CO)c1ccc(Cl)cc1 ZINC000552446746 1039296943 /nfs/dbraw/zinc/29/69/43/1039296943.db2.gz TXSJYFOQUOHLBB-NSHDSACASA-N -1 0 344.169 3.553 20 0 EHADRM CC(C)(C)Oc1ccc(CNC(=O)CC2CCC(C(=O)[O-])CC2)cc1 ZINC000911250825 1039299111 /nfs/dbraw/zinc/29/91/11/1039299111.db2.gz KVOGETYQLNASSW-UHFFFAOYSA-N -1 0 347.455 3.761 20 0 EHADRM CCCCn1ncc([N-]S(=O)(=O)c2cccc(C)c2)c1C(C)C ZINC000480205092 1039304837 /nfs/dbraw/zinc/30/48/37/1039304837.db2.gz ZXZMRWFBMCSAMU-UHFFFAOYSA-N -1 0 335.473 3.916 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2CCOC3(CCCC3)C2)cc2[nH]ccc21 ZINC000911388170 1039341020 /nfs/dbraw/zinc/34/10/20/1039341020.db2.gz VGSVZHURAZBHJQ-GFCCVEGCSA-N -1 0 342.395 3.544 20 0 EHADRM Cc1ccc([C@H]2CCCCCN2C(=O)N=c2cc3ccccn3[nH]2)o1 ZINC000554441815 1039351924 /nfs/dbraw/zinc/35/19/24/1039351924.db2.gz QRLHJBQMOFVKQH-MRXNPFEDSA-N -1 0 338.411 3.807 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(N3CCC(C)CC3)c2)oc1C(=O)[O-] ZINC000911424036 1039370330 /nfs/dbraw/zinc/37/03/30/1039370330.db2.gz OHGPZAXKGMWROL-UHFFFAOYSA-N -1 0 342.395 3.775 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@H](C)c1cccc(F)c1 ZINC000237478557 1039371994 /nfs/dbraw/zinc/37/19/94/1039371994.db2.gz FKXOHVJAWOBTCQ-DYVFJYSZSA-N -1 0 329.371 3.570 20 0 EHADRM O=C(Nc1ccc(-c2c[nH]cn2)cc1)c1cc(F)c([O-])c(Cl)c1 ZINC000554455529 1039372408 /nfs/dbraw/zinc/37/24/08/1039372408.db2.gz ACZVRUCQZNZMDM-UHFFFAOYSA-N -1 0 331.734 3.827 20 0 EHADRM C[C@H](CC(=O)N[C@@H](C)CCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000237506339 1039377641 /nfs/dbraw/zinc/37/76/41/1039377641.db2.gz NZQSOGRRLBCNSX-MNOVXSKESA-N -1 0 331.334 3.569 20 0 EHADRM C/C(=C/C(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1)c1cccc(F)c1 ZINC000237567302 1039387666 /nfs/dbraw/zinc/38/76/66/1039387666.db2.gz XJCFNKKEJVPPKG-DVBBHNHCSA-N -1 0 348.399 3.570 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N(CC2CCCCC2)C2CC2)s1 ZINC000511601708 1039410307 /nfs/dbraw/zinc/41/03/07/1039410307.db2.gz UMIXVMPWPBHUQV-UHFFFAOYSA-N -1 0 336.505 3.879 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC000911572994 1039417547 /nfs/dbraw/zinc/41/75/47/1039417547.db2.gz ODVNSRMEVMZTDN-WOVHFWOGSA-N -1 0 347.430 3.859 20 0 EHADRM CCOc1cccc(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])c1 ZINC000326570059 1039434330 /nfs/dbraw/zinc/43/43/30/1039434330.db2.gz FJKGSOOQOZVXLO-INIZCTEOSA-N -1 0 334.416 3.630 20 0 EHADRM O=C(CC1(C(=O)[O-])CCCCC1)NC[C@H]1CCCC[C@H]1C(F)(F)F ZINC000554521360 1039442627 /nfs/dbraw/zinc/44/26/27/1039442627.db2.gz JLLLINXVMLVHCL-CHWSQXEVSA-N -1 0 349.393 3.897 20 0 EHADRM Cc1cc(F)c(NC(=O)COC[C@H](C)c2ccccc2)cc1C(=O)[O-] ZINC000911688837 1039461936 /nfs/dbraw/zinc/46/19/36/1039461936.db2.gz JKJZWBJYPBUDPP-ZDUSSCGKSA-N -1 0 345.370 3.591 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)C[C@@H](C)c1ccccc1)C(=O)[O-] ZINC000485750542 1039512579 /nfs/dbraw/zinc/51/25/79/1039512579.db2.gz GTYYYPFPRBYVTK-IAGOWNOFSA-N -1 0 339.435 3.930 20 0 EHADRM CCC[C@H](NC(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl)C(=O)[O-] ZINC000554603441 1039513832 /nfs/dbraw/zinc/51/38/32/1039513832.db2.gz YVRDOHUYIACZKO-RYUDHWBXSA-N -1 0 345.226 3.533 20 0 EHADRM Cc1cc2[nH]c(CN=c3[n-]nc(CCc4ccccc4)o3)cc2c(C)c1 ZINC000478608362 1039564124 /nfs/dbraw/zinc/56/41/24/1039564124.db2.gz HNHFPWSIYAFVTP-UHFFFAOYSA-N -1 0 346.434 3.987 20 0 EHADRM Clc1ccccc1-c1n[n-]c(=NCc2cn3ccsc3n2)s1 ZINC000485807839 1039580523 /nfs/dbraw/zinc/58/05/23/1039580523.db2.gz VCINJAYSXIYWHQ-UHFFFAOYSA-N -1 0 347.856 3.602 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nc3c(s2)CCCCCC3)c(C)o1 ZINC000345072242 1039620448 /nfs/dbraw/zinc/62/04/48/1039620448.db2.gz CCQRLBGXPQNABY-UHFFFAOYSA-N -1 0 340.470 3.813 20 0 EHADRM FC(F)(F)c1nc(=NCCNc2cccc3ccccc32)s[n-]1 ZINC000552906861 1039622996 /nfs/dbraw/zinc/62/29/96/1039622996.db2.gz DOWYVCMMUXWZCF-UHFFFAOYSA-N -1 0 338.358 3.656 20 0 EHADRM CN(CC(C)(C)C)C(=O)N(CCC(=O)[O-])Cc1ccccc1Cl ZINC000554703802 1039628115 /nfs/dbraw/zinc/62/81/15/1039628115.db2.gz QNZMVODIZDZNDX-UHFFFAOYSA-N -1 0 340.851 3.715 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2cnc3ccsc3c2)c(C)cc1C ZINC000478694953 1039628349 /nfs/dbraw/zinc/62/83/49/1039628349.db2.gz CZAGIZOULVQGAO-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM c1ccc(CN=c2[n-]nc(SCCOC3CCCC3)s2)cc1 ZINC000431935272 1039655350 /nfs/dbraw/zinc/65/53/50/1039655350.db2.gz GWUADYLUGITGNZ-UHFFFAOYSA-N -1 0 335.498 3.623 20 0 EHADRM CCc1sc(C(=O)Nc2cc(-c3n[nH]c(=O)[n-]3)ccc2C)cc1C ZINC000549732779 1039745544 /nfs/dbraw/zinc/74/55/44/1039745544.db2.gz QIUVXXBGZAWKLR-UHFFFAOYSA-N -1 0 342.424 3.670 20 0 EHADRM C[C@@H](CC(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F)C(C)(C)C ZINC000486035341 1039787398 /nfs/dbraw/zinc/78/73/98/1039787398.db2.gz NOXCNALPAYDYNB-LBPRGKRZSA-N -1 0 341.398 3.840 20 0 EHADRM CCCN(C(=O)Nc1cccc(COCC2CC2)c1)[C@@H](CC)C(=O)[O-] ZINC000582106346 1039819950 /nfs/dbraw/zinc/81/99/50/1039819950.db2.gz YQSTUTISMMODEP-KRWDZBQOSA-N -1 0 348.443 3.720 20 0 EHADRM Cc1ccc(C[C@@H](C)C(=O)N=c2nc(-c3ccsc3)[n-]s2)cc1 ZINC000489349194 1039878736 /nfs/dbraw/zinc/87/87/36/1039878736.db2.gz ABDOTERLRMRVSF-GFCCVEGCSA-N -1 0 343.477 3.814 20 0 EHADRM CCOCCC1(C(=O)N=c2nc(-c3ccccc3)[n-]s2)CCCC1 ZINC000479066794 1039928212 /nfs/dbraw/zinc/92/82/12/1039928212.db2.gz UBQZYHAOSWMVSW-UHFFFAOYSA-N -1 0 345.468 3.553 20 0 EHADRM COc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000473399068 1039938190 /nfs/dbraw/zinc/93/81/90/1039938190.db2.gz NFHYYDCFZUOADR-UHFFFAOYSA-N -1 0 331.846 3.828 20 0 EHADRM C[C@]([N-]S(=O)(=O)c1ccccc1)(c1ccc(F)cc1)C(F)(F)F ZINC000479150148 1040002484 /nfs/dbraw/zinc/00/24/84/1040002484.db2.gz AMRGUAHCQPVBJL-AWEZNQCLSA-N -1 0 347.333 3.582 20 0 EHADRM Fc1cccc([C@H]2CC[C@@H](N=c3[n-]nc(C(F)(F)F)s3)C2)c1 ZINC000480780251 1040003098 /nfs/dbraw/zinc/00/30/98/1040003098.db2.gz NMEONOUELNDQSK-GXSJLCMTSA-N -1 0 331.338 3.866 20 0 EHADRM COc1cc(C)ccc1CN[C@@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000417564297 1040014182 /nfs/dbraw/zinc/01/41/82/1040014182.db2.gz ORCWHCVPZXNTPN-INIZCTEOSA-N -1 0 335.350 3.587 20 0 EHADRM COc1ccc(CCC(=O)[O-])cc1NCc1cnc(C(C)C)s1 ZINC000417622989 1040076756 /nfs/dbraw/zinc/07/67/56/1040076756.db2.gz IMAXZGAFNNSRGP-UHFFFAOYSA-N -1 0 334.441 3.904 20 0 EHADRM CC(C)[C@H](C)CC(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000486368189 1040092561 /nfs/dbraw/zinc/09/25/61/1040092561.db2.gz HPNMXNDWHFLQQU-CRAIPNDOSA-N -1 0 341.451 3.882 20 0 EHADRM Cc1oc(C(C)(C)C)cc1C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000907551035 1040094559 /nfs/dbraw/zinc/09/45/59/1040094559.db2.gz RXXUVLCGQOQJBT-LBPRGKRZSA-N -1 0 335.425 3.893 20 0 EHADRM O=C([O-])[C@H](CCSc1ccccc1)NCc1ncc(Cl)s1 ZINC000417624202 1040102218 /nfs/dbraw/zinc/10/22/18/1040102218.db2.gz QHSQNPLMRDSANZ-NSHDSACASA-N -1 0 342.873 3.522 20 0 EHADRM CC1=C(C)C[C@@](C)(C(=O)N(C)Cc2ccc(OCC(=O)[O-])cc2)CC1 ZINC000907625832 1040107992 /nfs/dbraw/zinc/10/79/92/1040107992.db2.gz BJYYYEZECSOUNR-FQEVSTJZSA-N -1 0 345.439 3.635 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)[C@H](C)Sc3ccccc3)[nH][nH]2)s1 ZINC000500867844 1040108962 /nfs/dbraw/zinc/10/89/62/1040108962.db2.gz XKBCGOURBOIYOV-LBPRGKRZSA-N -1 0 343.477 3.988 20 0 EHADRM O=S(=O)([N-]c1ccnc(-c2ccccc2)c1)c1cc(F)ccc1F ZINC000479305379 1040109066 /nfs/dbraw/zinc/10/90/66/1040109066.db2.gz HEFYPYRWNNXBER-UHFFFAOYSA-N -1 0 346.358 3.828 20 0 EHADRM C[C@]1(NC(=O)c2cc(C3CC3)oc2C2CC2)CCCC[C@@H]1C(=O)[O-] ZINC000907633393 1040111730 /nfs/dbraw/zinc/11/17/30/1040111730.db2.gz CAWLELVEHHNWHR-KUHUBIRLSA-N -1 0 331.412 3.798 20 0 EHADRM CCCCc1nc(=O)c2sc(-c3ccc4c(c3)OCCO4)cc2[n-]1 ZINC000614112603 1040149199 /nfs/dbraw/zinc/14/91/99/1040149199.db2.gz GWCBLECDWPNQAG-UHFFFAOYSA-N -1 0 342.420 3.765 20 0 EHADRM C[C@@H](NC(=O)c1cc(C2CC2)oc1C1CC1)c1ncc(C(=O)[O-])s1 ZINC000907730611 1040150202 /nfs/dbraw/zinc/15/02/02/1040150202.db2.gz LCSRXQKSDRFAAV-MRVPVSSYSA-N -1 0 346.408 3.680 20 0 EHADRM C[C@H](NC(=O)c1ccccc1C1CCC1)c1ncc(C(=O)[O-])s1 ZINC000907733360 1040150377 /nfs/dbraw/zinc/15/03/77/1040150377.db2.gz XXYKAPYEUGMHOM-JTQLQIEISA-N -1 0 330.409 3.600 20 0 EHADRM CC(C)c1ncc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)s1 ZINC000417696300 1040169961 /nfs/dbraw/zinc/16/99/61/1040169961.db2.gz CMCJJKVRAWRCLQ-UHFFFAOYSA-N -1 0 331.441 3.527 20 0 EHADRM Cc1ccc(-c2nc(CN[C@@H](CC3CCC3)C(=O)[O-])cs2)cc1 ZINC000417706157 1040179112 /nfs/dbraw/zinc/17/91/12/1040179112.db2.gz OKVRSEAPFYJJDY-INIZCTEOSA-N -1 0 330.453 3.852 20 0 EHADRM CC(C)C[C@H](C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000659153389 1040197404 /nfs/dbraw/zinc/19/74/04/1040197404.db2.gz KOIRGAVNXYTIOV-XUJVJEKNSA-N -1 0 325.836 3.695 20 0 EHADRM CC[C@H]1[C@H](C)CCN1C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000479423443 1040212126 /nfs/dbraw/zinc/21/21/26/1040212126.db2.gz PNLPSIJQEXVTER-PBHICJAKSA-N -1 0 341.455 3.962 20 0 EHADRM Cc1ccc(NC(=O)N(C)CCCC(=O)[O-])cc1OCCC(C)C ZINC000417751359 1040212289 /nfs/dbraw/zinc/21/22/89/1040212289.db2.gz PGUKULZCQAXQSX-UHFFFAOYSA-N -1 0 336.432 3.748 20 0 EHADRM CCCc1ccc(CCCC(=O)N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@H]23)cc1 ZINC000907946503 1040239616 /nfs/dbraw/zinc/23/96/16/1040239616.db2.gz SEPLUGRCUFKRQP-CADBVGFASA-N -1 0 343.467 3.577 20 0 EHADRM CCC[C@@H](C(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@H]12)c1cccc(Cl)c1 ZINC000907954425 1040243423 /nfs/dbraw/zinc/24/34/23/1040243423.db2.gz YKGCLXOAVXTJDH-YRVYGCIDSA-N -1 0 349.858 3.839 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@H]23)c1 ZINC000907961348 1040247778 /nfs/dbraw/zinc/24/77/78/1040247778.db2.gz VBQORXGHWSHPQF-NUBKLNGGSA-N -1 0 343.467 3.604 20 0 EHADRM CC[C@H](CC(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1)c1ccccc1 ZINC000236933376 1040249460 /nfs/dbraw/zinc/24/94/60/1040249460.db2.gz GIXUORQBKYFWGU-QWHCGFSZSA-N -1 0 346.452 3.911 20 0 EHADRM CN(C(=O)[C@H]1CCSc2ccccc21)c1cccc(CC(=O)[O-])c1 ZINC000908088689 1040282071 /nfs/dbraw/zinc/28/20/71/1040282071.db2.gz XRSAYXHNXHFVSH-INIZCTEOSA-N -1 0 341.432 3.556 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N(C)C2(C)CCCC2)n1 ZINC000614155703 1040286792 /nfs/dbraw/zinc/28/67/92/1040286792.db2.gz HPVFAVXXBLIPKI-UHFFFAOYSA-N -1 0 327.428 3.545 20 0 EHADRM CCSCc1ccc(C(=O)N(C)c2cccc(CC(=O)[O-])c2)cc1 ZINC000908079294 1040290675 /nfs/dbraw/zinc/29/06/75/1040290675.db2.gz XDFUIAMSNSHZDT-UHFFFAOYSA-N -1 0 343.448 3.843 20 0 EHADRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(C2(C)CCCC2)on1 ZINC000432967837 1040292500 /nfs/dbraw/zinc/29/25/00/1040292500.db2.gz RLTFJIWVPGMROM-UHFFFAOYSA-N -1 0 338.404 3.755 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Nc1nc2ccsc2s1 ZINC000899310238 1040296101 /nfs/dbraw/zinc/29/61/01/1040296101.db2.gz CTWIDRFOKCWIKQ-SECBINFHSA-N -1 0 339.442 3.609 20 0 EHADRM CCCN(C)c1ccccc1NC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000899313215 1040313007 /nfs/dbraw/zinc/31/30/07/1040313007.db2.gz HZWCTQYTJXJEON-OAHLLOKOSA-N -1 0 347.459 3.784 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Nc1ccc(C2CC2)cc1F ZINC000899317740 1040318604 /nfs/dbraw/zinc/31/86/04/1040318604.db2.gz PFOKCUAOGGKLJE-AWEZNQCLSA-N -1 0 334.391 3.954 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000364167114 1040321963 /nfs/dbraw/zinc/32/19/63/1040321963.db2.gz GOFWVGXRVYRNAI-UHFFFAOYSA-N -1 0 335.400 3.676 20 0 EHADRM O=c1c(C(F)(F)F)c(C2CC2)[n-]n1-c1ccccc1C(F)(F)F ZINC000899346090 1040349100 /nfs/dbraw/zinc/34/91/00/1040349100.db2.gz BAQRAUUZKKYKEY-SNVBAGLBSA-N -1 0 336.235 3.997 20 0 EHADRM O=c1cc(C2CCOCC2)[n-]n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000899352283 1040357860 /nfs/dbraw/zinc/35/78/60/1040357860.db2.gz DWPYXEWIQYZUMT-UHFFFAOYSA-N -1 0 346.736 3.878 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1ccc(C(F)F)cc1F)CC1CCCC1 ZINC000908289366 1040383053 /nfs/dbraw/zinc/38/30/53/1040383053.db2.gz HOLGUUOIHLSZFT-LBPRGKRZSA-N -1 0 343.345 3.774 20 0 EHADRM Cc1nc2ccc(C(=O)N=c3ccc(-c4ccccc4)n[n-]3)cc2s1 ZINC000432991577 1040397626 /nfs/dbraw/zinc/39/76/26/1040397626.db2.gz GILQOKBCXDZHHA-UHFFFAOYSA-N -1 0 346.415 3.736 20 0 EHADRM CC[C@@H](C(=O)NCCCCC1(C(=O)[O-])CCC1)c1ccc(F)cc1 ZINC000908339518 1040402429 /nfs/dbraw/zinc/40/24/29/1040402429.db2.gz QGYMPWYQIJHFRP-MRXNPFEDSA-N -1 0 335.419 3.861 20 0 EHADRM CC(C)Oc1cccc(CC(=O)NCCCCC2(C(=O)[O-])CCC2)c1 ZINC000908340180 1040402784 /nfs/dbraw/zinc/40/27/84/1040402784.db2.gz BGSVSCWZWKTMQL-UHFFFAOYSA-N -1 0 347.455 3.558 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)/C=C\c2ccsc2C(F)(F)F)C1 ZINC000908376154 1040420609 /nfs/dbraw/zinc/42/06/09/1040420609.db2.gz MRHMJNLECYZFRZ-BOVAPDGDSA-N -1 0 347.358 3.540 20 0 EHADRM CC[C@@H](C)[C@H]([N-]S(=O)(=O)Cc1c(C)cccc1C)C(F)(F)F ZINC000555343142 1040437714 /nfs/dbraw/zinc/43/77/14/1040437714.db2.gz NDAHPHQYKUJPQB-YGRLFVJLSA-N -1 0 337.407 3.700 20 0 EHADRM O=C(c1nn(-c2ccccc2)cc1[O-])N(CC1CC1)c1ccccc1 ZINC000486783523 1040440755 /nfs/dbraw/zinc/44/07/55/1040440755.db2.gz YXNUVYRZMXBBPG-UHFFFAOYSA-N -1 0 333.391 3.635 20 0 EHADRM C/C=C(/CC)C(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000908420267 1040460663 /nfs/dbraw/zinc/46/06/63/1040460663.db2.gz UIHOSOFWCYRDAT-CQDYJGNSSA-N -1 0 329.318 3.694 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CCC[C@H]1C(F)(F)F ZINC000913017745 1040535834 /nfs/dbraw/zinc/53/58/34/1040535834.db2.gz DDQHTAHSOPSHKT-VIFPVBQESA-N -1 0 327.224 3.578 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCCCc1ccccc1)c1cccs1 ZINC000908636285 1040540927 /nfs/dbraw/zinc/54/09/27/1040540927.db2.gz AMMJJLZIVMORLG-OAHLLOKOSA-N -1 0 331.437 3.793 20 0 EHADRM CC(C)C[C@@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C1 ZINC000500120566 1040556844 /nfs/dbraw/zinc/55/68/44/1040556844.db2.gz HUTRELGUIGLVCA-AWEZNQCLSA-N -1 0 345.418 3.615 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)nn1[C@@H](C)C1CC1 ZINC000908687885 1040573830 /nfs/dbraw/zinc/57/38/30/1040573830.db2.gz PKDBJNJHMKKNSL-JTQLQIEISA-N -1 0 347.802 3.766 20 0 EHADRM CC(C)(C)Cc1n[n-]c(=NCc2c(F)cccc2Br)o1 ZINC000479797227 1040613641 /nfs/dbraw/zinc/61/36/41/1040613641.db2.gz PXSQXWIBNIRDSC-UHFFFAOYSA-N -1 0 342.212 3.594 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000908741685 1040622135 /nfs/dbraw/zinc/62/21/35/1040622135.db2.gz GCWDYGRNUGPHOR-GXTWGEPZSA-N -1 0 337.828 3.718 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000908743552 1040624573 /nfs/dbraw/zinc/62/45/73/1040624573.db2.gz ZGNFYDIDQUMGCX-UHFFFAOYSA-N -1 0 343.354 3.745 20 0 EHADRM CC[C@@](C)(NC(=O)c1sc2cccc(F)c2c1Cl)C(=O)[O-] ZINC000908921722 1040704942 /nfs/dbraw/zinc/70/49/42/1040704942.db2.gz FZHZSBYBBOSPSX-CQSZACIVSA-N -1 0 329.780 3.677 20 0 EHADRM CCC[C@@H](C)NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000614222224 1040747058 /nfs/dbraw/zinc/74/70/58/1040747058.db2.gz BIMAZLASSAQFAB-SNVBAGLBSA-N -1 0 341.333 3.515 20 0 EHADRM CCC[C@H](NC(=O)N(CC)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000780527126 1040748781 /nfs/dbraw/zinc/74/87/81/1040748781.db2.gz XTTKFIWTFOSFDY-ZDUSSCGKSA-N -1 0 346.349 3.663 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000909096198 1040797087 /nfs/dbraw/zinc/79/70/87/1040797087.db2.gz HVGXIMFLGFTABU-DHZHZOJOSA-N -1 0 341.411 3.903 20 0 EHADRM CC(C)(C(=O)[N-]O[C@@H]1CCCCO1)c1cccc(C(F)(F)F)c1 ZINC000171406541 1040816319 /nfs/dbraw/zinc/81/63/19/1040816319.db2.gz HVQRVQFUPYNOED-CYBMUJFWSA-N -1 0 331.334 3.557 20 0 EHADRM CCc1c(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)cnn1C1CCCC1 ZINC000909106789 1040825153 /nfs/dbraw/zinc/82/51/53/1040825153.db2.gz WVFRCWVHPBNXOA-UHFFFAOYSA-N -1 0 345.374 3.650 20 0 EHADRM CC1(C)CO[C@H](CCC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000909112725 1040827251 /nfs/dbraw/zinc/82/72/51/1040827251.db2.gz KBLPQSQHNIJDBD-LLVKDONJSA-N -1 0 325.792 3.572 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c(C)c2)c1 ZINC000487268551 1040860571 /nfs/dbraw/zinc/86/05/71/1040860571.db2.gz MSAMDOHZDYEXQX-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM Cc1c(C(=O)[O-])cc(F)cc1-c1ccccc1OC[C@@H]1CCOC1 ZINC000899633849 1040884862 /nfs/dbraw/zinc/88/48/62/1040884862.db2.gz MDFMFSJOIGBHIL-CYBMUJFWSA-N -1 0 330.355 3.915 20 0 EHADRM C[C@@H](C(=O)Nc1cccc(CSCCC(=O)[O-])c1)c1ccncc1 ZINC000909228706 1040886489 /nfs/dbraw/zinc/88/64/89/1040886489.db2.gz YIEFSJXWQFLGTB-CYBMUJFWSA-N -1 0 344.436 3.532 20 0 EHADRM Cc1ccsc1CCCC(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC000909251081 1040899064 /nfs/dbraw/zinc/89/90/64/1040899064.db2.gz UZRSNKONOMHZBR-INIZCTEOSA-N -1 0 345.464 3.672 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H](c2ccncc2)C2CCCC2)cc1F ZINC000909297122 1040913656 /nfs/dbraw/zinc/91/36/56/1040913656.db2.gz XMYGASRCWSQMKX-QGZVFWFLSA-N -1 0 342.370 3.831 20 0 EHADRM CCC[C@@H]1C[C@H](C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CCO1 ZINC000909297919 1040913826 /nfs/dbraw/zinc/91/38/26/1040913826.db2.gz RUBMFPYJQFLOFV-CZUORRHYSA-N -1 0 333.428 3.583 20 0 EHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)C[C@@H](C)c1c[nH]c2ccccc21 ZINC000909683076 1040928354 /nfs/dbraw/zinc/92/83/54/1040928354.db2.gz KTGFXVCWLXNXKR-BFUOFWGJSA-N -1 0 330.428 3.667 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCC[C@@H]2c2ccccc2)C1 ZINC000909701483 1040941984 /nfs/dbraw/zinc/94/19/84/1040941984.db2.gz SYQJIROHWPZZMF-UWVAXJGDSA-N -1 0 329.440 3.530 20 0 EHADRM Cc1ccc(NC(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])s1 ZINC000570904653 1040975706 /nfs/dbraw/zinc/97/57/06/1040975706.db2.gz HIJBDJRWPZSFCF-KGLIPLIRSA-N -1 0 336.457 3.944 20 0 EHADRM COc1cccc2c1CN(Cc1ccc(Cl)cc1C(=O)[O-])CC2 ZINC001142643341 1040986434 /nfs/dbraw/zinc/98/64/34/1040986434.db2.gz QSOKKKNMROCZDO-UHFFFAOYSA-N -1 0 331.799 3.605 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)CC(C)(C)CC(F)F ZINC000909751066 1041001582 /nfs/dbraw/zinc/00/15/82/1041001582.db2.gz SKPCPEZWXJMPKY-LBPRGKRZSA-N -1 0 327.371 3.560 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000237023299 1041007432 /nfs/dbraw/zinc/00/74/32/1041007432.db2.gz MHRLNMUQERIQNB-DJJJIMSYSA-N -1 0 335.444 3.511 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1sc2cccc(F)c2c1Cl ZINC000909805395 1041018236 /nfs/dbraw/zinc/01/82/36/1041018236.db2.gz KPTQOOPVKOBGBM-HTQZYQBOSA-N -1 0 341.791 3.629 20 0 EHADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1sc2cccc(F)c2c1Cl ZINC000909805836 1041019393 /nfs/dbraw/zinc/01/93/93/1041019393.db2.gz KPTQOOPVKOBGBM-YUMQZZPRSA-N -1 0 341.791 3.629 20 0 EHADRM COc1ccc2c(c1)[C@@H](C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1)CC2 ZINC000909834657 1041032678 /nfs/dbraw/zinc/03/26/78/1041032678.db2.gz MTUHCBKAVWSYIZ-SJCJKPOMSA-N -1 0 339.391 3.552 20 0 EHADRM C[C@@H](C(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1)c1ccncc1 ZINC000909843808 1041036721 /nfs/dbraw/zinc/03/67/21/1041036721.db2.gz JFUIPWVWQBBNCZ-PBHICJAKSA-N -1 0 332.444 3.505 20 0 EHADRM O=C(N=c1[n-]nc(-c2cccc(Cl)c2)s1)N[C@H]1CC=CCC1 ZINC000481540986 1041038393 /nfs/dbraw/zinc/03/83/93/1041038393.db2.gz HSFYSMRHIQZWEX-LBPRGKRZSA-N -1 0 334.832 3.511 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)N(CC(=O)[O-])[C@@H](C)c2ccccc2)cc1 ZINC000555705273 1041041006 /nfs/dbraw/zinc/04/10/06/1041041006.db2.gz GLTPWJRFBSHANS-HOTGVXAUSA-N -1 0 340.423 3.913 20 0 EHADRM O=C(N=c1nc(-c2ccccc2)[n-]s1)c1cccn1C1CCCC1 ZINC000487701299 1041057198 /nfs/dbraw/zinc/05/71/98/1041057198.db2.gz IDSQKXFRVDWSAB-UHFFFAOYSA-N -1 0 338.436 3.796 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000652059920 1041072377 /nfs/dbraw/zinc/07/23/77/1041072377.db2.gz LFOJLYDHVXRJGM-MBNYWOFBSA-N -1 0 341.432 3.818 20 0 EHADRM CC(C)(CC(=O)N[C@@](C)(CCF)C(=O)[O-])Cc1ccc(Cl)cc1 ZINC000909969800 1041085306 /nfs/dbraw/zinc/08/53/06/1041085306.db2.gz BZHUDFQNKZEMLK-KRWDZBQOSA-N -1 0 343.826 3.618 20 0 EHADRM C[C@@]1(C(=O)[O-])[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1cccc(Cl)c1Cl ZINC000899760108 1041087123 /nfs/dbraw/zinc/08/71/23/1041087123.db2.gz WTHLEJZPEXGCND-AETVUNEGSA-N -1 0 340.206 3.845 20 0 EHADRM C[C@@H](C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000652066791 1041092931 /nfs/dbraw/zinc/09/29/31/1041092931.db2.gz WSZZZCXWYCBWKO-OCCSQVGLSA-N -1 0 337.847 3.793 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)C2(c3ccccc3Cl)CCC2)C1 ZINC000652066182 1041093254 /nfs/dbraw/zinc/09/32/54/1041093254.db2.gz AKPMUYRAZCQTAO-CQSZACIVSA-N -1 0 349.858 3.865 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N[C@@H]2CCCc3sccc32)C(=O)[O-])cc1 ZINC000899780659 1041103570 /nfs/dbraw/zinc/10/35/70/1041103570.db2.gz JLCJZNOJEJMWPA-HZPDHXFCSA-N -1 0 343.448 3.809 20 0 EHADRM COc1ccc(NC(=O)[C@@H](CC(=O)[O-])CC(C)C)cc1OC(C)C ZINC000899780871 1041105084 /nfs/dbraw/zinc/10/50/84/1041105084.db2.gz JVCSMGGBJBXFKZ-CYBMUJFWSA-N -1 0 337.416 3.558 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000899773774 1041110794 /nfs/dbraw/zinc/11/07/94/1041110794.db2.gz NPJGPJNUKUHCPD-PSLIRLAXSA-N -1 0 331.746 3.963 20 0 EHADRM C[C@H](CC1CC1)NC(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1 ZINC000481584974 1041115625 /nfs/dbraw/zinc/11/56/25/1041115625.db2.gz UTVLNZKYROHXST-SECBINFHSA-N -1 0 336.848 3.591 20 0 EHADRM C[C@H](c1ccc(C(=O)N[C@@H]2CCC[C@@]2(C)C(=O)[O-])cc1)C(F)(F)F ZINC000909992134 1041131875 /nfs/dbraw/zinc/13/18/75/1041131875.db2.gz AAXUDTXRVZDMFQ-CKUKBARFSA-N -1 0 343.345 3.726 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)[C@H](c1cccnc1)C1CCCCC1 ZINC000909998555 1041134470 /nfs/dbraw/zinc/13/44/70/1041134470.db2.gz GWGIPFRNGUYAJF-UWVAXJGDSA-N -1 0 344.455 3.505 20 0 EHADRM Cc1ccc([C@H](CC(=O)N(C)[C@@H](C)c2cccs2)C(=O)[O-])cc1 ZINC000899800902 1041139472 /nfs/dbraw/zinc/13/94/72/1041139472.db2.gz HZFUPUOQWYJYCX-ZFWWWQNUSA-N -1 0 331.437 3.834 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cc1O)c1c(Cl)cccc1Cl ZINC000481605723 1041148541 /nfs/dbraw/zinc/14/85/41/1041148541.db2.gz PKPBWSCIJSAESA-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM Cc1ccc([C@H](CC(=O)N2CCC[C@@H]2c2ccccc2)C(=O)[O-])cc1 ZINC000899796337 1041148800 /nfs/dbraw/zinc/14/88/00/1041148800.db2.gz KDCZJLUNSCWIQG-RBUKOAKNSA-N -1 0 337.419 3.917 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)N[C@H]1CCCc2ccc(F)cc21 ZINC000910011616 1041149246 /nfs/dbraw/zinc/14/92/46/1041149246.db2.gz IHDOIWYOQFHWJD-SFHVURJKSA-N -1 0 341.382 3.650 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000910012273 1041149860 /nfs/dbraw/zinc/14/98/60/1041149860.db2.gz OFQIJILSTMSYGS-DGCLKSJQSA-N -1 0 343.345 3.522 20 0 EHADRM CC(=O)SCCCCCCNC(=O)c1ccc([O-])c(Cl)c1 ZINC000193862980 1041153902 /nfs/dbraw/zinc/15/39/02/1041153902.db2.gz MZCMJMHHCSJWNT-UHFFFAOYSA-N -1 0 329.849 3.616 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000899812622 1041158589 /nfs/dbraw/zinc/15/85/89/1041158589.db2.gz BWEDRPSGFJCTFB-GDBMZVCRSA-N -1 0 345.439 3.686 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)CC[C@@H]1CCc3ccccc31)C2 ZINC000910049494 1041164097 /nfs/dbraw/zinc/16/40/97/1041164097.db2.gz ZYRHDQJQQIXDEB-HNNXBMFYSA-N -1 0 335.403 3.737 20 0 EHADRM Cc1ccc(OC2CCN(C(=O)[C@H](CC(=O)[O-])CC(C)C)CC2)cc1 ZINC000899818455 1041174165 /nfs/dbraw/zinc/17/41/65/1041174165.db2.gz FROIAZHZIKGOBV-INIZCTEOSA-N -1 0 347.455 3.502 20 0 EHADRM Cc1ccc(OC2CCN(C(=O)[C@@H](CC(=O)[O-])CC(C)C)CC2)cc1 ZINC000899818456 1041174306 /nfs/dbraw/zinc/17/43/06/1041174306.db2.gz FROIAZHZIKGOBV-MRXNPFEDSA-N -1 0 347.455 3.502 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cc(C)c(Cl)s2)cc1 ZINC000473487757 1041189328 /nfs/dbraw/zinc/18/93/28/1041189328.db2.gz BRBBPORBMRCXOV-UHFFFAOYSA-N -1 0 331.846 3.909 20 0 EHADRM CCc1ccc(F)cc1C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])cs1 ZINC000910101991 1041189369 /nfs/dbraw/zinc/18/93/69/1041189369.db2.gz JRVFOWSHLZYALB-AWEZNQCLSA-N -1 0 348.399 3.520 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1ccc(C(=O)C(F)(F)F)cc1 ZINC000899831022 1041190639 /nfs/dbraw/zinc/19/06/39/1041190639.db2.gz NPILYPORWDSKBN-LLVKDONJSA-N -1 0 345.317 3.507 20 0 EHADRM O=C([O-])c1csc([C@@H]2CCCN2C(=O)c2ccc(C3CC3)cc2)n1 ZINC000910100156 1041190791 /nfs/dbraw/zinc/19/07/91/1041190791.db2.gz BXVQIVWXEIXKTO-HNNXBMFYSA-N -1 0 342.420 3.696 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)NCc1ccc(C(F)(F)F)s1 ZINC000899832705 1041194953 /nfs/dbraw/zinc/19/49/53/1041194953.db2.gz HQMPNDUSEVXSSH-SECBINFHSA-N -1 0 337.363 3.520 20 0 EHADRM O=C([O-])c1csc([C@H]2CCCN2C(=O)/C=C/C2CCCCC2)n1 ZINC000910113614 1041197300 /nfs/dbraw/zinc/19/73/00/1041197300.db2.gz JFHCWPDJTOPCHI-MYSGNRETSA-N -1 0 334.441 3.641 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)C2=C(C(=O)[O-])CCCC2)c1 ZINC000899843090 1041203834 /nfs/dbraw/zinc/20/38/34/1041203834.db2.gz NXQSKHFXLIBXOI-UHFFFAOYSA-N -1 0 331.412 3.895 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1ccccc1Oc1ccccn1 ZINC000899842616 1041204055 /nfs/dbraw/zinc/20/40/55/1041204055.db2.gz LEDNKSXUXOXJAL-AWEZNQCLSA-N -1 0 342.395 3.949 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)Nc1cccc(COC(C)(C)C)c1)C(=O)[O-] ZINC000899843641 1041205175 /nfs/dbraw/zinc/20/51/75/1041205175.db2.gz VABCRZWSLBOGNM-RYUDHWBXSA-N -1 0 339.457 3.535 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)N2CC[C@H](C)C[C@@H]2C(=O)[O-])c1 ZINC000555851971 1041225266 /nfs/dbraw/zinc/22/52/66/1041225266.db2.gz SBVNIYWXZWYDCX-WMLDXEAASA-N -1 0 348.443 3.829 20 0 EHADRM CC[C@@H](CCc1ccccc1)NC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000910205049 1041225365 /nfs/dbraw/zinc/22/53/65/1041225365.db2.gz IROQFWSQPLCQPZ-RPCJCACASA-N -1 0 343.467 3.939 20 0 EHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000194216255 1041234200 /nfs/dbraw/zinc/23/42/00/1041234200.db2.gz XQQUETDAAGLINW-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)N[C@H](c1ccncc1)C1CC1)C1CCCCC1 ZINC000899854210 1041234596 /nfs/dbraw/zinc/23/45/96/1041234596.db2.gz HAWJUQOUAGMMIL-ICSRJNTNSA-N -1 0 344.455 3.710 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000910194747 1041236662 /nfs/dbraw/zinc/23/66/62/1041236662.db2.gz OGYYRKPZAWVNKD-LBPRGKRZSA-N -1 0 349.333 3.584 20 0 EHADRM COc1cc([C@@H](C)NC(=O)CC(C)(C)C(=O)[O-])cc2ccccc21 ZINC000899857391 1041240640 /nfs/dbraw/zinc/24/06/40/1041240640.db2.gz YVSUMLKMGGJKBL-GFCCVEGCSA-N -1 0 329.396 3.527 20 0 EHADRM Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(C)cc3F)cc2)co1 ZINC000110096320 1041499916 /nfs/dbraw/zinc/49/99/16/1041499916.db2.gz SJRHXVKOCUAXDE-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM COC(=O)C1(c2ccc(Nc3ccc(C(=O)[O-])c(C)c3)cc2)CC1 ZINC001211658322 1041503389 /nfs/dbraw/zinc/50/33/89/1041503389.db2.gz KOWJUTMYONBRLC-UHFFFAOYSA-N -1 0 325.364 3.641 20 0 EHADRM COc1cc(C)c(NC(=O)CC2(C(=O)[O-])CCCCCC2)cc1OC ZINC000392208901 1041584852 /nfs/dbraw/zinc/58/48/52/1041584852.db2.gz GTBJVPYEPMRBBP-UHFFFAOYSA-N -1 0 349.427 3.766 20 0 EHADRM Cc1cccc([C@H](NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)C(F)(F)F)c1 ZINC000432101154 1041595280 /nfs/dbraw/zinc/59/52/80/1041595280.db2.gz YKWTYVBAFKMDPG-IHRRRGAJSA-N -1 0 343.345 3.606 20 0 EHADRM Cc1cc(CCCC(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])c(C)s1 ZINC000432113756 1041605322 /nfs/dbraw/zinc/60/53/22/1041605322.db2.gz IMHCKDGEDWRKPN-CRAIPNDOSA-N -1 0 337.485 3.837 20 0 EHADRM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cccc(C(=O)[O-])c1)[C@H]2C ZINC000432135371 1041630674 /nfs/dbraw/zinc/63/06/74/1041630674.db2.gz HRZJYGQUXDECDJ-STQMWFEESA-N -1 0 339.391 3.541 20 0 EHADRM CCCOc1ccc(CCC(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])cc1 ZINC000432138083 1041639375 /nfs/dbraw/zinc/63/93/75/1041639375.db2.gz HYYGXMZAGYPZMJ-YLJYHZDGSA-N -1 0 347.455 3.558 20 0 EHADRM CC(F)(F)c1ccc(CN=c2[n-]nc(-c3ccccn3)s2)cc1 ZINC000432170882 1041688187 /nfs/dbraw/zinc/68/81/87/1041688187.db2.gz WOQVBSRRSIWGQG-UHFFFAOYSA-N -1 0 332.379 3.746 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)CC2CC(c3ccccc3)C2)c2ccccc21 ZINC000653327002 1042071056 /nfs/dbraw/zinc/07/10/56/1042071056.db2.gz OVDAKQOWFNTTRL-VAZMBZEVSA-N -1 0 349.430 4.000 20 0 EHADRM CCCCCC[C@](C)(NC(=O)C[C@@H]1CCOc2ccccc21)C(=O)[O-] ZINC000236721902 1042076574 /nfs/dbraw/zinc/07/65/74/1042076574.db2.gz QWGLNXIIYSUDMI-YWZLYKJASA-N -1 0 347.455 3.873 20 0 EHADRM COc1cccc2c1ncc(C)c2N1CCC[C@H](CCC(=O)[O-])C1 ZINC000662888223 1042196812 /nfs/dbraw/zinc/19/68/12/1042196812.db2.gz YDTPPVGTDRPEOA-CQSZACIVSA-N -1 0 328.412 3.633 20 0 EHADRM O=C(NCCOc1ccc(Cl)cc1)c1cc(F)c([O-])c(Cl)c1 ZINC000184191320 1042218542 /nfs/dbraw/zinc/21/85/42/1042218542.db2.gz PCHNGQCQLRXWHW-UHFFFAOYSA-N -1 0 344.169 3.647 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1coc(C2CCC2)n1)c1cccc(Cl)c1 ZINC000909369141 1042223347 /nfs/dbraw/zinc/22/33/47/1042223347.db2.gz ANBBDQQEFUHROF-ZDUSSCGKSA-N -1 0 348.786 3.541 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000048382390 1042327136 /nfs/dbraw/zinc/32/71/36/1042327136.db2.gz VTLBJHKRSPFBJT-CHWSQXEVSA-N -1 0 337.803 3.734 20 0 EHADRM CCCOc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1Cl ZINC000048382473 1042327616 /nfs/dbraw/zinc/32/76/16/1042327616.db2.gz KKPIBEGSRUECQC-STQMWFEESA-N -1 0 337.803 3.734 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)c2)cs1 ZINC000663030901 1042363266 /nfs/dbraw/zinc/36/32/66/1042363266.db2.gz OMKMRRQPNSOJBA-CQSZACIVSA-N -1 0 332.425 3.804 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000663044667 1042389542 /nfs/dbraw/zinc/38/95/42/1042389542.db2.gz PTQUNXPLJVQIJL-SNVBAGLBSA-N -1 0 335.734 3.627 20 0 EHADRM Cc1cn(-c2ccccc2)nc1NC(=O)C1(C(=O)[O-])CCCCCC1 ZINC000663068986 1042418265 /nfs/dbraw/zinc/41/82/65/1042418265.db2.gz BMBOKKSTNDXMBF-UHFFFAOYSA-N -1 0 341.411 3.544 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc(COC3CCCCC3)c2)CC=CC1 ZINC000663076463 1042425835 /nfs/dbraw/zinc/42/58/35/1042425835.db2.gz YRXWJQTZBGDBJV-UHFFFAOYSA-N -1 0 343.423 3.895 20 0 EHADRM CC(C)OCc1cccc(NC(=O)C2(C(=O)[O-])CCCCCC2)c1 ZINC000663076072 1042425876 /nfs/dbraw/zinc/42/58/76/1042425876.db2.gz TUQIFGBMBPRVNW-UHFFFAOYSA-N -1 0 333.428 3.975 20 0 EHADRM CC(C)(C)Cc1nc2cc(NC(=O)C3(C(=O)[O-])CC=CC3)ccc2o1 ZINC000663083483 1042432008 /nfs/dbraw/zinc/43/20/08/1042432008.db2.gz LJPIXFZYKZXOEA-UHFFFAOYSA-N -1 0 342.395 3.776 20 0 EHADRM Cc1ccccc1-c1csc(NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)n1 ZINC000663082291 1042433594 /nfs/dbraw/zinc/43/35/94/1042433594.db2.gz SDBFTQXZVGTGOV-QGZVFWFLSA-N -1 0 330.409 3.558 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2csc3c2CCCC3)n1 ZINC000659184911 1042463786 /nfs/dbraw/zinc/46/37/86/1042463786.db2.gz JWGJLVCFUBUZKO-CYBMUJFWSA-N -1 0 347.440 3.502 20 0 EHADRM C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1Cc1cc(C(=O)[O-])co1 ZINC000652413240 1042464241 /nfs/dbraw/zinc/46/42/41/1042464241.db2.gz FQJNSTBFQWUHDT-BDJLRTHQSA-N -1 0 335.787 3.593 20 0 EHADRM O=C(NCCc1cc2ccccc2o1)c1cc(F)c([O-])c(Cl)c1 ZINC000184430282 1042541180 /nfs/dbraw/zinc/54/11/80/1042541180.db2.gz GGVIZXXRYTUCMY-UHFFFAOYSA-N -1 0 333.746 3.903 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)c2ccc(C3CCC3)cc2)c2ccccc21 ZINC000653328277 1042543840 /nfs/dbraw/zinc/54/38/40/1042543840.db2.gz GXZOXMWESBMKGX-MOPGFXCFSA-N -1 0 335.403 3.997 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)NCc1cccc(Cl)c1Cl)C1CCC1 ZINC000663271543 1042617306 /nfs/dbraw/zinc/61/73/06/1042617306.db2.gz MOFGMKBGFJJQHW-VIFPVBQESA-N -1 0 345.226 3.531 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)c1cc2c(s1)CCCCCC2 ZINC000321280938 1042624428 /nfs/dbraw/zinc/62/44/28/1042624428.db2.gz IKQWGHSFWWENTQ-CQSZACIVSA-N -1 0 335.469 3.877 20 0 EHADRM CC1CCC(=CC(=O)Nc2ccccc2-n2ccc(C(=O)[O-])n2)CC1 ZINC000236779325 1042639734 /nfs/dbraw/zinc/63/97/34/1042639734.db2.gz GLRATOCIKMAAEI-UHFFFAOYSA-N -1 0 339.395 3.646 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1Cc2ccccc2C2(CC2)C1 ZINC000186432650 1042660684 /nfs/dbraw/zinc/66/06/84/1042660684.db2.gz MJWILHSKLQLJKY-UHFFFAOYSA-N -1 0 331.774 3.872 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1nc(C(C)C)cs1 ZINC000186967798 1042734049 /nfs/dbraw/zinc/73/40/49/1042734049.db2.gz VDCKEWNCPXOLHV-UHFFFAOYSA-N -1 0 328.484 3.789 20 0 EHADRM CN(Cc1ccc(Cl)c(F)c1)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000186979471 1042735895 /nfs/dbraw/zinc/73/58/95/1042735895.db2.gz SDRMZQQPEMUTRC-UHFFFAOYSA-N -1 0 329.705 3.735 20 0 EHADRM O=C(Nc1ccc(F)cc1OCC(F)F)c1cc(F)c([O-])c(F)c1 ZINC000186985426 1042738115 /nfs/dbraw/zinc/73/81/15/1042738115.db2.gz QACYVQLXSNYKBW-UHFFFAOYSA-N -1 0 347.239 3.706 20 0 EHADRM CSc1cccc(C)c1NC(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC000663352804 1042744748 /nfs/dbraw/zinc/74/47/48/1042744748.db2.gz UCZPJKLMGLOADV-ZDUSSCGKSA-N -1 0 338.473 3.975 20 0 EHADRM O=c1nc(CN(c2ccccc2)C2CCCC2)[n-]c2ccsc21 ZINC000066567189 1042769902 /nfs/dbraw/zinc/76/99/02/1042769902.db2.gz SVLLLPFVHUMPCK-UHFFFAOYSA-N -1 0 325.437 3.934 20 0 EHADRM CC(C)c1nnc([N-]S(=O)(=O)c2csc3ccccc32)s1 ZINC000350126155 1042829534 /nfs/dbraw/zinc/82/95/34/1042829534.db2.gz JJWWGDIENFPIDZ-UHFFFAOYSA-N -1 0 339.467 3.677 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)CCc2ccc(Cl)s2)c2ccccc21 ZINC000653330933 1042864661 /nfs/dbraw/zinc/86/46/61/1042864661.db2.gz LYDGWCDITPKHSS-KBPBESRZSA-N -1 0 349.839 3.764 20 0 EHADRM CC[C@H](CC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC000653331236 1042867727 /nfs/dbraw/zinc/86/77/27/1042867727.db2.gz OOWMXZJIILMTNM-ZMYBRWDISA-N -1 0 337.419 4.000 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000321530630 1042928389 /nfs/dbraw/zinc/92/83/89/1042928389.db2.gz DVAQPHGTLGOMOC-NWDGAFQWSA-N -1 0 327.302 3.619 20 0 EHADRM Cc1cc(/C=C/c2nc3cc(C(=O)[O-])ccc3o2)ccc1-n1cncn1 ZINC000549620488 1042940055 /nfs/dbraw/zinc/94/00/55/1042940055.db2.gz ZZRSSKMGRYODTQ-XVNBXDOJSA-N -1 0 346.346 3.586 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)CC2(C)CCCCC2)sc1C ZINC000408289211 1042974039 /nfs/dbraw/zinc/97/40/39/1042974039.db2.gz CCRRTFPSVIDCDC-UHFFFAOYSA-N -1 0 329.487 3.530 20 0 EHADRM CCC(CC)CC(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000431802677 1042997902 /nfs/dbraw/zinc/99/79/02/1042997902.db2.gz YFXADVNTCHVURN-CQSZACIVSA-N -1 0 329.799 3.937 20 0 EHADRM CSc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000006415955 1043010184 /nfs/dbraw/zinc/01/01/84/1043010184.db2.gz YWTRCTSMLSLLJM-UHFFFAOYSA-N -1 0 333.356 3.627 20 0 EHADRM Fc1ccc(CN=c2[n-]nc(-c3ccncc3)o2)c(Cl)c1Cl ZINC000432430567 1043198901 /nfs/dbraw/zinc/19/89/01/1043198901.db2.gz SOAUXYOQBQUSJE-UHFFFAOYSA-N -1 0 339.157 3.612 20 0 EHADRM O=C([O-])CCCCCNC(=O)CCc1c(Cl)cccc1Cl ZINC000655533580 1043272472 /nfs/dbraw/zinc/27/24/72/1043272472.db2.gz HGUWRVGRZMFYMQ-UHFFFAOYSA-N -1 0 332.227 3.687 20 0 EHADRM Cc1ccc(Nc2cc(Cl)c(C)cc2S(=O)(=O)[O-])cc1O ZINC001211701616 1043523517 /nfs/dbraw/zinc/52/35/17/1043523517.db2.gz HSZOOPLRUGTMRU-UHFFFAOYSA-N -1 0 327.789 3.653 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)Oc1ccccc1Cl ZINC000021003398 1043634509 /nfs/dbraw/zinc/63/45/09/1043634509.db2.gz OMDOSXNPBGPTIY-NSHDSACASA-N -1 0 333.771 3.753 20 0 EHADRM C[C@@](CC(=O)Nc1cc(F)cc(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC000391076001 1043802784 /nfs/dbraw/zinc/80/27/84/1043802784.db2.gz NAUCQRGNJXVIEV-KRWDZBQOSA-N -1 0 335.762 3.850 20 0 EHADRM O=S(=O)([N-]c1nccc(-c2ccccc2)n1)c1ccc(Cl)cc1 ZINC000163222800 1043916950 /nfs/dbraw/zinc/91/69/50/1043916950.db2.gz LUMDBJKBTWFJAC-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM C[C@H]1C[C@@H](CCNS(=O)(=O)c2cc([O-])cc(F)c2)CC(C)(C)C1 ZINC001211705978 1044447620 /nfs/dbraw/zinc/44/76/20/1044447620.db2.gz ZSHZRBCLTHSZGB-QWHCGFSZSA-N -1 0 343.464 3.662 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2ccccc2SC)ccc1Cl ZINC000432645134 1044581491 /nfs/dbraw/zinc/58/14/91/1044581491.db2.gz MSPYENRLHDCAIV-UHFFFAOYSA-N -1 0 343.857 3.871 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2cc(C)c(C)s2)ccc1Cl ZINC000432650249 1044623808 /nfs/dbraw/zinc/62/38/08/1044623808.db2.gz AIYNFAZZWBWAIT-UHFFFAOYSA-N -1 0 331.846 3.828 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cnc(Cl)c(C)c2)sc1Cl ZINC000232390152 1044652452 /nfs/dbraw/zinc/65/24/52/1044652452.db2.gz CNFOZRVWGYWZAX-UHFFFAOYSA-N -1 0 337.253 3.868 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCCC[C@H]1CC1CCC1 ZINC000620569044 1125604078 /nfs/dbraw/zinc/60/40/78/1125604078.db2.gz ULBYJQCMFWUHMU-NSHDSACASA-N -1 0 327.346 3.994 20 0 EHADRM O=C(c1cnn(-c2cccc(Cl)c2F)c1)c1cc(F)ccc1[O-] ZINC000620625079 1125614895 /nfs/dbraw/zinc/61/48/95/1125614895.db2.gz MBXWCSMWWIQNQY-UHFFFAOYSA-N -1 0 334.709 3.741 20 0 EHADRM CSc1nc(CNC(=O)C=C[C@]2(C)CC[C@@H](C)C2(C)C)cc(=O)[nH]1 ZINC000824952197 1131233252 /nfs/dbraw/zinc/23/32/52/1131233252.db2.gz LTADXQHKCYFWTR-JKYZXBELSA-N -1 0 349.500 3.539 20 0 EHADRM Cc1cc(CC(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)on1 ZINC000622481223 1126705943 /nfs/dbraw/zinc/70/59/43/1126705943.db2.gz KQVRRUKVIKCUPW-UHFFFAOYSA-N -1 0 335.574 3.830 20 0 EHADRM CC(C)(C)[C@@H]1CCCN(C(=O)CSc2n[n-]c(=S)s2)CC1 ZINC000081755366 1126727069 /nfs/dbraw/zinc/72/70/69/1126727069.db2.gz QIRZYMJAXDYJPC-SNVBAGLBSA-N -1 0 345.559 3.594 20 0 EHADRM CCC(CC)(CC(=O)N[C@H](C)c1cccc(OC(C)C)c1)C(=O)[O-] ZINC000336877529 1126814378 /nfs/dbraw/zinc/81/43/78/1126814378.db2.gz PQUJQFSCROQKFH-CQSZACIVSA-N -1 0 335.444 3.932 20 0 EHADRM Cc1cc(C)c2cc(C(=O)N=c3nc(CC(C)C)[n-]s3)sc2n1 ZINC000622939678 1126832717 /nfs/dbraw/zinc/83/27/17/1126832717.db2.gz BMPARPPDYYGKQX-UHFFFAOYSA-N -1 0 346.481 3.637 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CC(Cc2ccsc2)C1 ZINC000623042119 1126862955 /nfs/dbraw/zinc/86/29/55/1126862955.db2.gz MDGUAFUWCLADBJ-UHFFFAOYSA-N -1 0 341.354 3.787 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CC[C@H](C)[C@@H]3C)n2)c1 ZINC000176318884 1126911166 /nfs/dbraw/zinc/91/11/66/1126911166.db2.gz FAJYPAAKLNJTON-KBPBESRZSA-N -1 0 327.428 3.572 20 0 EHADRM C[C@@H](C(=O)[N-]OCc1ccc(F)cc1)c1cn(C)c2ccccc12 ZINC000185923641 1127201381 /nfs/dbraw/zinc/20/13/81/1127201381.db2.gz XHCKBOQLKZIVKY-CYBMUJFWSA-N -1 0 326.371 3.669 20 0 EHADRM CCc1cc(=O)[nH]c(CN[C@@H](c2ccccc2F)C2CCCC2)n1 ZINC000181490480 1127279178 /nfs/dbraw/zinc/27/91/78/1127279178.db2.gz VBZRILYKRLJCFY-LJQANCHMSA-N -1 0 329.419 3.905 20 0 EHADRM Cc1cc(Br)ccc1C[S@@](=O)c1ccc(O)cc1 ZINC000182094071 1127311779 /nfs/dbraw/zinc/31/17/79/1127311779.db2.gz CEEPRNYLYAHYMJ-GOSISDBHSA-N -1 0 325.227 3.771 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2c(C)cccc2O)c(Cl)cc1F ZINC000182469399 1127331154 /nfs/dbraw/zinc/33/11/54/1127331154.db2.gz FNLITWHRZYDGCT-UHFFFAOYSA-N -1 0 329.780 3.602 20 0 EHADRM CC[C@H](C)CS(=O)(=O)[N-][C@H](c1cccc(F)c1F)C(F)(F)F ZINC000182874855 1127351984 /nfs/dbraw/zinc/35/19/84/1127351984.db2.gz GBEVDWFNDITCDA-QPUJVOFHSA-N -1 0 345.333 3.534 20 0 EHADRM C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H](c1ccc(F)cc1)C(C)(C)C ZINC000184213615 1127398088 /nfs/dbraw/zinc/39/80/88/1127398088.db2.gz FFDITWNRJAFDNT-JOYOIKCWSA-N -1 0 341.370 3.783 20 0 EHADRM CSCc1ccc(NC(=O)c2cc(F)c(F)c([O-])c2F)cc1 ZINC000185786117 1127432063 /nfs/dbraw/zinc/43/20/63/1127432063.db2.gz GELXYGKYGJWOLB-UHFFFAOYSA-N -1 0 327.327 3.925 20 0 EHADRM COc1cc(NC(=O)c2c([O-])cnc3c(F)cccc32)c(C)cc1C ZINC001626032727 1127664710 /nfs/dbraw/zinc/66/47/10/1127664710.db2.gz FZOSPMHYMPPSSF-UHFFFAOYSA-N -1 0 340.354 3.957 20 0 EHADRM CC(C)[C@@H]1N(C(=O)c2ccc3oc(=O)nc-3[n-]2)CC12CCCCCC2 ZINC000827994831 1127758094 /nfs/dbraw/zinc/75/80/94/1127758094.db2.gz VYHSYZSAKDKBMB-HNNXBMFYSA-N -1 0 343.427 3.749 20 0 EHADRM CCc1ccc(O)c(C(=O)N2Cc3ccc(Br)cc3C2)c1 ZINC000765744165 1127761779 /nfs/dbraw/zinc/76/17/79/1127761779.db2.gz OQZHBUCWGDZXJI-UHFFFAOYSA-N -1 0 346.224 3.873 20 0 EHADRM O=S(=O)([N-]c1cccnc1OCc1ccccc1)c1ccsc1 ZINC000671659912 1127766042 /nfs/dbraw/zinc/76/60/42/1127766042.db2.gz LNPBOFXQKKOXHH-UHFFFAOYSA-N -1 0 346.433 3.523 20 0 EHADRM O=S(=O)(Cc1ccc(F)cc1)[N-]c1csc(-c2ccccc2)n1 ZINC000671663398 1127773292 /nfs/dbraw/zinc/77/32/92/1127773292.db2.gz HIKIYSKBZOTXJC-UHFFFAOYSA-N -1 0 348.424 3.891 20 0 EHADRM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000060436768 1128101875 /nfs/dbraw/zinc/10/18/75/1128101875.db2.gz JZEOKHJLZHRNJJ-UHFFFAOYSA-N -1 0 335.734 3.867 20 0 EHADRM Cc1onc(OC(F)F)c1[N-]C(=O)c1ncc(Cl)cc1Cl ZINC001127992105 1128157164 /nfs/dbraw/zinc/15/71/64/1128157164.db2.gz MGUPNQGPBDHZCV-UHFFFAOYSA-N -1 0 338.097 3.539 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)c1 ZINC000064938262 1128181325 /nfs/dbraw/zinc/18/13/25/1128181325.db2.gz NIKXKUZOTLSMRJ-UHFFFAOYSA-N -1 0 349.427 3.862 20 0 EHADRM c1ccc(CC2(CN=c3[n-]nc(C4CCOCC4)s3)CCC2)cc1 ZINC000338675397 1128476017 /nfs/dbraw/zinc/47/60/17/1128476017.db2.gz DJINDLBLPIYIDU-UHFFFAOYSA-N -1 0 343.496 3.679 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2ccccc2Cl)c(C)c1 ZINC000055663420 1128526461 /nfs/dbraw/zinc/52/64/61/1128526461.db2.gz DUQHGLVZVCCULU-UHFFFAOYSA-N -1 0 325.817 3.848 20 0 EHADRM C[C@@H](C(=O)Nc1cc(Cl)cc(Br)c1[O-])n1cccc1 ZINC001116418496 1128527444 /nfs/dbraw/zinc/52/74/44/1128527444.db2.gz WXMQFJOHPRQDAF-QMMMGPOBSA-N -1 0 343.608 3.809 20 0 EHADRM CCCCOc1ccccc1[N-]S(=O)(=O)c1ccccc1OC ZINC000055688577 1128527669 /nfs/dbraw/zinc/52/76/69/1128527669.db2.gz KTZBJLDOLPBYGT-UHFFFAOYSA-N -1 0 335.425 3.675 20 0 EHADRM CCC(CC)N(CC(C)C)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655905447 1128532161 /nfs/dbraw/zinc/53/21/61/1128532161.db2.gz VVTKYFIREXYVIU-VNQPRFMTSA-N -1 0 340.508 3.978 20 0 EHADRM COc1cccc(-c2nsc(N=C([O-])Nc3cscc3C)n2)c1 ZINC000542690426 1128539966 /nfs/dbraw/zinc/53/99/66/1128539966.db2.gz GPEPYVWVJNYRRJ-UHFFFAOYSA-N -1 0 346.437 3.650 20 0 EHADRM O=C(N[C@@H]1COc2ccc(Cl)cc21)C(F)(F)c1ccccc1F ZINC000765862151 1128621957 /nfs/dbraw/zinc/62/19/57/1128621957.db2.gz KJCRDAJBHUEFIH-CYBMUJFWSA-N -1 0 341.716 3.821 20 0 EHADRM CC(C)n1ccc(CC(=O)Nc2cc(Cl)c([O-])c(Cl)c2)n1 ZINC000765859691 1128624204 /nfs/dbraw/zinc/62/42/04/1128624204.db2.gz PRQSLUSYMKIQGZ-UHFFFAOYSA-N -1 0 328.199 3.658 20 0 EHADRM O=C([O-])c1c2c(nc3ccccc31)/C(=C/c1cc3n(n1)CCCC3)CC2 ZINC000656103417 1128746049 /nfs/dbraw/zinc/74/60/49/1128746049.db2.gz KBZDMONPTQUBDR-ACCUITESSA-N -1 0 345.402 3.953 20 0 EHADRM Cc1ncc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)s1 ZINC000357150578 1128824775 /nfs/dbraw/zinc/82/47/75/1128824775.db2.gz OXTAUACUIGVUQE-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM CCOc1ccc(C[C@H](C)CNC(=O)c2ccc(F)cc2[O-])cc1 ZINC001648840365 1120051805 /nfs/dbraw/zinc/05/18/05/1120051805.db2.gz RGDYJOMCHOTLRP-ZDUSSCGKSA-N -1 0 331.387 3.539 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000236838283 1120153449 /nfs/dbraw/zinc/15/34/49/1120153449.db2.gz YQLCZSMHDJLQTQ-OLZOCXBDSA-N -1 0 343.345 3.569 20 0 EHADRM Cc1ccc(-c2[n-][nH]c(=NC(=O)[C@H]3CC[C@H](C(F)(F)F)C3)c2C)o1 ZINC000355014259 1128903115 /nfs/dbraw/zinc/90/31/15/1128903115.db2.gz HDNBSMGSTHVHGW-QWRGUYRKSA-N -1 0 341.333 3.626 20 0 EHADRM CC[C@@H](NCc1c(Cl)cccc1Cl)c1nc(C(=O)[O-])c[nH]1 ZINC000904066087 1120351638 /nfs/dbraw/zinc/35/16/38/1120351638.db2.gz XFSFYMDOYDXJRB-LLVKDONJSA-N -1 0 328.199 3.656 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CC[C@@H](C4CC4)C3)n2)cc1 ZINC000534284078 1120364838 /nfs/dbraw/zinc/36/48/38/1120364838.db2.gz YNBXIGKGYMUOHM-MRXNPFEDSA-N -1 0 339.439 3.573 20 0 EHADRM Cc1cc(C)c([N-]S(=O)(=O)c2cccs2)cc1Br ZINC000185977641 1120438255 /nfs/dbraw/zinc/43/82/55/1120438255.db2.gz RKQRXAYIJJZUSV-UHFFFAOYSA-N -1 0 346.271 3.928 20 0 EHADRM CC(C)c1ccccc1S(=O)(=O)[N-]c1cnc2ccccc2n1 ZINC000190992408 1120657562 /nfs/dbraw/zinc/65/75/62/1120657562.db2.gz ZIFIPSYQBZSECZ-UHFFFAOYSA-N -1 0 327.409 3.554 20 0 EHADRM COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2cccc(Cl)c2[O-])c1 ZINC000191940524 1120703755 /nfs/dbraw/zinc/70/37/55/1120703755.db2.gz USTCLWADBFBAMH-DGCLKSJQSA-N -1 0 347.798 3.805 20 0 EHADRM O=C(Nc1csc(-c2ccccc2)n1)c1s[n-]c(=O)c1Cl ZINC000672333303 1128934619 /nfs/dbraw/zinc/93/46/19/1128934619.db2.gz ZLYWQWBREMXFPU-UHFFFAOYSA-N -1 0 337.813 3.878 20 0 EHADRM COc1ccc(O[C@@H](C)C(=O)Nc2cc(Cl)c([O-])cc2F)cc1 ZINC000557960900 1120712502 /nfs/dbraw/zinc/71/25/02/1120712502.db2.gz SGMQSDOYEVEDPR-VIFPVBQESA-N -1 0 339.750 3.599 20 0 EHADRM COc1ccc(S(=O)(=O)Nc2nc(C)c(Cl)cc2Cl)cc1 ZINC000193057380 1120756927 /nfs/dbraw/zinc/75/69/27/1120756927.db2.gz NNPTXRWOABZSCR-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)c1 ZINC000195448617 1120784958 /nfs/dbraw/zinc/78/49/58/1120784958.db2.gz SPBBTXTZQQEXBA-UHFFFAOYSA-N -1 0 347.415 3.866 20 0 EHADRM COc1cc(Br)cc(NC(=O)c2c([O-])cccc2F)c1 ZINC000228864464 1120941105 /nfs/dbraw/zinc/94/11/05/1120941105.db2.gz KTSSLGMGFUYHHS-UHFFFAOYSA-N -1 0 340.148 3.555 20 0 EHADRM Cc1cc(OCC(=O)Nc2ccc(F)c(C(=O)[O-])c2)ccc1C(C)C ZINC000914729806 1120966036 /nfs/dbraw/zinc/96/60/36/1120966036.db2.gz VNUXHKGZIOUQPM-UHFFFAOYSA-N -1 0 345.370 3.973 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000232044964 1121079791 /nfs/dbraw/zinc/07/97/91/1121079791.db2.gz DOOGUEIROSRRDE-UHFFFAOYSA-N -1 0 337.178 3.897 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)CCC2CCCC2)c(Cl)cc1F ZINC000762162798 1121136280 /nfs/dbraw/zinc/13/62/80/1121136280.db2.gz HIHRAZLQMTWGCP-UHFFFAOYSA-N -1 0 347.839 3.563 20 0 EHADRM C/C(=C/C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC000762231899 1121199328 /nfs/dbraw/zinc/19/93/28/1121199328.db2.gz UUPPQUCMDHEHQP-VDUFWMCCSA-N -1 0 337.419 3.682 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N(CC(F)F)CC1CCC1 ZINC000762349256 1121260512 /nfs/dbraw/zinc/26/05/12/1121260512.db2.gz GGLWASGTTIYNKC-UHFFFAOYSA-N -1 0 326.368 3.624 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000762577148 1121366520 /nfs/dbraw/zinc/36/65/20/1121366520.db2.gz WJQVVNVCDXFWJV-VIFPVBQESA-N -1 0 325.742 3.685 20 0 EHADRM O=C(c1c([O-])cc(F)cc1F)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000077108453 1128989592 /nfs/dbraw/zinc/98/95/92/1128989592.db2.gz WIOUAMOCIIBGQT-GFCCVEGCSA-N -1 0 335.325 3.514 20 0 EHADRM O=C(OCc1cncc(Br)c1)c1ccc([O-])c(Cl)c1 ZINC000762831013 1121452573 /nfs/dbraw/zinc/45/25/73/1121452573.db2.gz QNPYWWDXAZNMGC-UHFFFAOYSA-N -1 0 342.576 3.560 20 0 EHADRM CC(C)(C)c1ccccc1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000236748383 1121461947 /nfs/dbraw/zinc/46/19/47/1121461947.db2.gz UUEDBBARLFAWEF-UHFFFAOYSA-N -1 0 325.408 3.655 20 0 EHADRM Cc1ccc(C)c(SCC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000237658430 1121490590 /nfs/dbraw/zinc/49/05/90/1121490590.db2.gz MZOBFAZGLJMGCK-OAHLLOKOSA-N -1 0 335.469 3.641 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N(Cc2cccs2)C2CC2)cc1 ZINC000237945860 1121499401 /nfs/dbraw/zinc/49/94/01/1121499401.db2.gz UPYMFLQRXWJHEA-BJMVGYQFSA-N -1 0 327.405 3.651 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2c(F)cc(F)cc2F)CCCCCC1 ZINC000238069254 1121501546 /nfs/dbraw/zinc/50/15/46/1121501546.db2.gz LVVJOCCDDTYTCC-UHFFFAOYSA-N -1 0 329.318 3.858 20 0 EHADRM CC(C)Oc1ccc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)cn1 ZINC000762964311 1121616340 /nfs/dbraw/zinc/61/63/40/1121616340.db2.gz KPGQRJBIIYCSNG-UHFFFAOYSA-N -1 0 329.381 3.551 20 0 EHADRM Cc1cc(C)cc(C(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000915814907 1121642515 /nfs/dbraw/zinc/64/25/15/1121642515.db2.gz AJMMNQFREBUKEC-UHFFFAOYSA-N -1 0 339.416 3.575 20 0 EHADRM Cc1ccc(CN(C)Cc2cc(=O)oc3cc([O-])c(Cl)cc23)o1 ZINC000915868827 1121709431 /nfs/dbraw/zinc/70/94/31/1121709431.db2.gz BOVKZJOWGHULGD-UHFFFAOYSA-N -1 0 333.771 3.685 20 0 EHADRM CCCC(=O)Nc1cccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)c1 ZINC000056084408 1121905831 /nfs/dbraw/zinc/90/58/31/1121905831.db2.gz WYFGZEQHMRLSCM-UHFFFAOYSA-N -1 0 349.390 3.519 20 0 EHADRM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000328247629 1122129837 /nfs/dbraw/zinc/12/98/37/1122129837.db2.gz BHJZICUIAKFQJJ-MGTHKWJCSA-N -1 0 341.451 3.631 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)C[C@H](C)CC(C)(C)C)c1 ZINC000916652386 1122243767 /nfs/dbraw/zinc/24/37/67/1122243767.db2.gz KINQQJGQOLGZDF-ZDUSSCGKSA-N -1 0 325.474 3.571 20 0 EHADRM CN(C(=O)Nc1cccc(Oc2ccccc2)c1)C(C)(C)C(=O)[O-] ZINC000324682065 1122360508 /nfs/dbraw/zinc/36/05/08/1122360508.db2.gz AQIMVIZCVHUCBY-UHFFFAOYSA-N -1 0 328.368 3.806 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCC(OC2CCCCC2)CC1 ZINC000126645663 1122416962 /nfs/dbraw/zinc/41/69/62/1122416962.db2.gz VPHUZBLBJSEJEF-UHFFFAOYSA-N -1 0 337.847 4.000 20 0 EHADRM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000127828696 1122510222 /nfs/dbraw/zinc/51/02/22/1122510222.db2.gz JLXPEAFFECTQAQ-UHFFFAOYSA-N -1 0 330.862 3.577 20 0 EHADRM Cc1ccc(CN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C2CC2)cc1C ZINC000262694306 1122728817 /nfs/dbraw/zinc/72/88/17/1122728817.db2.gz FREJGMHMOOXACI-QAQDUYKDSA-N -1 0 329.440 3.685 20 0 EHADRM CCCCN(C(=O)C(=O)c1ccc(O)cc1)[C@@H](C)c1ccc(C)o1 ZINC000672816452 1129078831 /nfs/dbraw/zinc/07/88/31/1129078831.db2.gz RBSBJVPRLKVDHP-AWEZNQCLSA-N -1 0 329.396 3.866 20 0 EHADRM O=C(Nc1ccc(Cl)cc1C(=O)N1CCCC1)c1ccccc1O ZINC000129661836 1122817389 /nfs/dbraw/zinc/81/73/89/1122817389.db2.gz CEJPXOYBCGDOHN-UHFFFAOYSA-N -1 0 344.798 3.534 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cn(C)nc2C2CCCCC2)cc1C ZINC000556268883 1122908133 /nfs/dbraw/zinc/90/81/33/1122908133.db2.gz IIDURPUSQRHGGX-UHFFFAOYSA-N -1 0 347.484 3.885 20 0 EHADRM COc1ccc(C(=O)[O-])cc1NCc1cccc(OC)c1OC(C)C ZINC000556325211 1122929261 /nfs/dbraw/zinc/92/92/61/1122929261.db2.gz XUPNUBRKIACVQP-UHFFFAOYSA-N -1 0 345.395 3.801 20 0 EHADRM COc1cc(CNc2cc(C(=O)[O-])ccc2C)ccc1OC(F)F ZINC000556323427 1122929538 /nfs/dbraw/zinc/92/95/38/1122929538.db2.gz MDFDSRKHZWOVKK-UHFFFAOYSA-N -1 0 337.322 3.915 20 0 EHADRM C=Cc1ccc(C(=O)N=c2nc(-c3sccc3C)[n-]s2)cc1 ZINC000556456265 1122981934 /nfs/dbraw/zinc/98/19/34/1122981934.db2.gz PMJOUFNKQQZIRK-UHFFFAOYSA-N -1 0 327.434 3.892 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCC(Oc2ccccc2Cl)CC1 ZINC000130692383 1122988204 /nfs/dbraw/zinc/98/82/04/1122988204.db2.gz KXMFRWNKTIYZJF-UHFFFAOYSA-N -1 0 349.789 3.868 20 0 EHADRM O=c1nc(-c2cccc(F)n2)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000155156813 1123260150 /nfs/dbraw/zinc/26/01/50/1123260150.db2.gz IAPJRUMCMADLIR-UHFFFAOYSA-N -1 0 341.342 3.992 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)NC(C)(C)CCC(=O)[O-] ZINC000263008465 1123317636 /nfs/dbraw/zinc/31/76/36/1123317636.db2.gz HFGOTUIGBDKVCN-UHFFFAOYSA-N -1 0 342.823 3.892 20 0 EHADRM O=C([O-])C1CCC(CC(=O)NC2(c3ccc(Cl)cc3)CC2)CC1 ZINC000649243486 1123359760 /nfs/dbraw/zinc/35/97/60/1123359760.db2.gz QUQGJPVGCLKYCM-UHFFFAOYSA-N -1 0 335.831 3.726 20 0 EHADRM Cc1c(F)cccc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000075082452 1123360938 /nfs/dbraw/zinc/36/09/38/1123360938.db2.gz NAZZDXFMRMDBQE-UHFFFAOYSA-N -1 0 349.305 3.834 20 0 EHADRM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)C[C@H](C)C1CC1 ZINC000920789341 1123423482 /nfs/dbraw/zinc/42/34/82/1123423482.db2.gz OBWRAGUYFVHVHS-ZDUSSCGKSA-N -1 0 337.485 3.534 20 0 EHADRM Cc1cc(C)c(NC(=O)CC(C)(C)CC(=O)[O-])c(Br)c1 ZINC000134033315 1123485488 /nfs/dbraw/zinc/48/54/88/1123485488.db2.gz LTQQDINTSDZPLT-UHFFFAOYSA-N -1 0 342.233 3.895 20 0 EHADRM O=c1[nH]c(C=Cc2cc(Cl)c([O-])cc2Cl)nc2cnccc12 ZINC000134422492 1123522038 /nfs/dbraw/zinc/52/20/38/1123522038.db2.gz GXAHOGFLGOGWIR-OWOJBTEDSA-N -1 0 334.162 3.501 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)CCc1cccc(Cl)c1 ZINC000237753790 1123536093 /nfs/dbraw/zinc/53/60/93/1123536093.db2.gz AIHXRPPCZVIZNN-UHFFFAOYSA-N -1 0 347.798 3.683 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2ccc(F)cc2OC(F)F)c1 ZINC000238106298 1123561452 /nfs/dbraw/zinc/56/14/52/1123561452.db2.gz CUFZESCRRRKOCP-UHFFFAOYSA-N -1 0 343.232 3.517 20 0 EHADRM CCC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000135386942 1123606849 /nfs/dbraw/zinc/60/68/49/1123606849.db2.gz LXDIAEANSBGTOL-UHFFFAOYSA-N -1 0 341.791 3.873 20 0 EHADRM O=C(C=Cc1cccs1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000064690977 1123716750 /nfs/dbraw/zinc/71/67/50/1123716750.db2.gz TZXQRYFJWUDUNU-GQCTYLIASA-N -1 0 345.804 3.899 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(C2CC2)C2CCCC2)n1 ZINC000080480006 1123755084 /nfs/dbraw/zinc/75/50/84/1123755084.db2.gz WVVSBBADKADPJW-UHFFFAOYSA-N -1 0 343.402 3.573 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(C(C)C)C2CCCC2)n1 ZINC000080480020 1123755511 /nfs/dbraw/zinc/75/55/11/1123755511.db2.gz PPGIVJPGWVOMOC-UHFFFAOYSA-N -1 0 345.418 3.819 20 0 EHADRM CCc1ccc(O)c([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000080585972 1123758154 /nfs/dbraw/zinc/75/81/54/1123758154.db2.gz FYQJSASDUDEFIU-UHFFFAOYSA-N -1 0 345.342 3.774 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cc(-c3ccccc3C)nn2C)c1 ZINC000080647896 1123759729 /nfs/dbraw/zinc/75/97/29/1123759729.db2.gz MFUCPABPVYAJOH-UHFFFAOYSA-N -1 0 341.436 3.505 20 0 EHADRM Cc1cc(/C=C/C(=O)N(CC(=O)[O-])C2CC2)c(C)n1C1CCCCC1 ZINC000237640888 1123799291 /nfs/dbraw/zinc/79/92/91/1123799291.db2.gz HWYCNFPZOADTSW-DHZHZOJOSA-N -1 0 344.455 3.699 20 0 EHADRM O=C(C/C=C/c1ccc(F)cc1)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000081649549 1123869657 /nfs/dbraw/zinc/86/96/57/1123869657.db2.gz OVGBEIVKMLVYDR-OWOJBTEDSA-N -1 0 339.326 3.623 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(C)[C@H]2CCC[C@H](C)C2)n1 ZINC000081658197 1123871229 /nfs/dbraw/zinc/87/12/29/1123871229.db2.gz NLFADHXCZDQLKR-WFASDCNBSA-N -1 0 345.418 3.676 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cc(F)c(F)cc2F)CCCCCC1 ZINC000238069425 1123971331 /nfs/dbraw/zinc/97/13/31/1123971331.db2.gz CYEZBQJGTCBUKW-UHFFFAOYSA-N -1 0 329.318 3.858 20 0 EHADRM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)O[N-]C(=O)C(C)(C)c1ccccc1 ZINC000180374012 1123993702 /nfs/dbraw/zinc/99/37/02/1123993702.db2.gz VALYOQBJYZQBPX-CQSZACIVSA-N -1 0 342.395 3.990 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000238148744 1123996919 /nfs/dbraw/zinc/99/69/19/1123996919.db2.gz MHFMIPKGRWCQGE-BJMVGYQFSA-N -1 0 349.308 3.984 20 0 EHADRM COc1ccc(C)cc1/C=C/C(=O)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000068726436 1124010690 /nfs/dbraw/zinc/01/06/90/1124010690.db2.gz QZCROZIMMVJGNQ-MYSGNRETSA-N -1 0 340.375 3.752 20 0 EHADRM C[C@@H](Oc1cccc(C(=O)/C=C/c2cc(F)ccc2F)c1)C(=O)[O-] ZINC000068726405 1124010996 /nfs/dbraw/zinc/01/09/96/1124010996.db2.gz SYGRZJOTUKNHMF-AYLMVEPYSA-N -1 0 332.302 3.713 20 0 EHADRM C[C@@H](Oc1cccc(C(=O)/C=C/c2ccc(O)c(Cl)c2)c1)C(=O)[O-] ZINC000068726383 1124011171 /nfs/dbraw/zinc/01/11/71/1124011171.db2.gz QGOWAMGFTTWCHY-OKPNEXGHSA-N -1 0 346.766 3.794 20 0 EHADRM COc1ccc(-c2cc(C(=O)N[C@H](C)CCC(=O)[O-])sc2C)cc1 ZINC000263533474 1124016085 /nfs/dbraw/zinc/01/60/85/1124016085.db2.gz NMAUHMITFSNCFY-LLVKDONJSA-N -1 0 347.436 3.715 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2CCC(c3ccc(Cl)cc3)CC2)CC1 ZINC000263537766 1124028747 /nfs/dbraw/zinc/02/87/47/1124028747.db2.gz PIUSIALCMAFSAK-WKILWMFISA-N -1 0 349.858 3.937 20 0 EHADRM Cc1noc(C(F)F)c1C(=O)[N-]c1nnc(CCC(C)C)s1 ZINC000617096427 1124084112 /nfs/dbraw/zinc/08/41/12/1124084112.db2.gz UPAFNDUEYRVTDT-UHFFFAOYSA-N -1 0 330.360 3.613 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)c1ccc(C(=O)[O-])cc1F)C(F)(F)F ZINC000263562911 1124485833 /nfs/dbraw/zinc/48/58/33/1124485833.db2.gz DAGWLFOTIGEGTL-NSHDSACASA-N -1 0 335.297 3.621 20 0 EHADRM CC(C)c1cccc(OCC(=O)N=c2cc(-c3cccs3)[nH][nH]2)c1 ZINC000617366243 1124500204 /nfs/dbraw/zinc/50/02/04/1124500204.db2.gz XDSDLZCPVVKEQC-UHFFFAOYSA-N -1 0 341.436 3.701 20 0 EHADRM CC(C)[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)CC(C)(C)C ZINC000734713266 1131268909 /nfs/dbraw/zinc/26/89/09/1131268909.db2.gz UPGSIUPYGOBJCE-HNNXBMFYSA-N -1 0 331.522 3.721 20 0 EHADRM O=S(=O)([N-]c1cc(-c2ccccc2)on1)c1cc2ccccc2o1 ZINC000085235193 1124615766 /nfs/dbraw/zinc/61/57/66/1124615766.db2.gz LBAWICIOHMTCLK-UHFFFAOYSA-N -1 0 340.360 3.889 20 0 EHADRM CC1(C)CN(C(=O)c2cc(F)c([O-])c(F)c2)CCc2ccccc21 ZINC000617518057 1124622723 /nfs/dbraw/zinc/62/27/23/1124622723.db2.gz DTPRDCSWHYHLPR-UHFFFAOYSA-N -1 0 331.362 3.647 20 0 EHADRM N#C/C(=C\c1ccc([O-])c([N+](=O)[O-])c1)C(=O)c1ccc(Cl)s1 ZINC000181301428 1124739192 /nfs/dbraw/zinc/73/91/92/1124739192.db2.gz HYXMLANBMCAOKZ-WEVVVXLNSA-N -1 0 334.740 3.805 20 0 EHADRM O=C(C[C@]12CCCC[C@H]1C2(F)F)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000615281681 1124985462 /nfs/dbraw/zinc/98/54/62/1124985462.db2.gz VFGVDYWBFAPHOM-SJKOYZFVSA-N -1 0 347.365 3.936 20 0 EHADRM C[C@H](NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)[C@H]1CC2CCC1CC2 ZINC000382286528 1125075502 /nfs/dbraw/zinc/07/55/02/1125075502.db2.gz ZVPUHUGVWABPLF-LDVAZDKDSA-N -1 0 343.467 3.750 20 0 EHADRM O=S(=O)([N-]c1ncccc1-c1ccccc1)c1cccc(F)c1 ZINC000092389047 1125094747 /nfs/dbraw/zinc/09/47/47/1125094747.db2.gz MRKLCPVDKSDHON-UHFFFAOYSA-N -1 0 328.368 3.689 20 0 EHADRM CCc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000070029636 1125163371 /nfs/dbraw/zinc/16/33/71/1125163371.db2.gz NVHUANUCSZUKLU-LBPRGKRZSA-N -1 0 335.400 3.837 20 0 EHADRM Cc1n[nH]c2cc([N-]S(=O)(=O)c3ccc(C)cc3Cl)ccc12 ZINC000093909213 1125323115 /nfs/dbraw/zinc/32/31/15/1125323115.db2.gz CRYAKQDRZIVYIG-UHFFFAOYSA-N -1 0 335.816 3.634 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1c2c(cc3c1CCC3)CCC2 ZINC000357335963 1129241831 /nfs/dbraw/zinc/24/18/31/1129241831.db2.gz YXSRAAYEXKHWRA-UHFFFAOYSA-N -1 0 349.477 3.535 20 0 EHADRM Cc1cc(=NC(=O)CCCCCO[C@H]2CCC[C@H](C)C2)[n-]nc1C ZINC000499731893 1129425824 /nfs/dbraw/zinc/42/58/24/1129425824.db2.gz NIDAYANEANARGC-YOEHRIQHSA-N -1 0 333.476 3.610 20 0 EHADRM CCc1ccc(O)c([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c1 ZINC000673474772 1129450356 /nfs/dbraw/zinc/45/03/56/1129450356.db2.gz CRRPKWWYYXKMJU-UHFFFAOYSA-N -1 0 327.352 3.693 20 0 EHADRM CC(C)(c1n[n-]c(=NC(=O)N[C@H]2C=CCCC2)s1)c1ccccc1 ZINC000466521172 1129510499 /nfs/dbraw/zinc/51/04/99/1129510499.db2.gz GEXOAKGAQVJMMA-AWEZNQCLSA-N -1 0 342.468 3.516 20 0 EHADRM C[C@H](CNC(=O)c1c(O)cnc2ccc(Cl)cc21)c1nccs1 ZINC000338867842 1129604623 /nfs/dbraw/zinc/60/46/23/1129604623.db2.gz GFIULTKBLNNRHM-SECBINFHSA-N -1 0 347.827 3.584 20 0 EHADRM O=C(NCCCc1ccc(O)cc1)c1ccc2[n-]c(=S)oc2c1 ZINC000073818973 1129741467 /nfs/dbraw/zinc/74/14/67/1129741467.db2.gz OZJSEAQGWNEMFK-UHFFFAOYSA-N -1 0 328.393 3.559 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)[C@@H](C(=O)[O-])C1 ZINC000158981987 1129750579 /nfs/dbraw/zinc/75/05/79/1129750579.db2.gz HRTSQNOCZFWFND-PRHODGIISA-N -1 0 331.199 3.710 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)[C@H](C(=O)[O-])C1 ZINC000158981764 1129750699 /nfs/dbraw/zinc/75/06/99/1129750699.db2.gz HRTSQNOCZFWFND-PELKAZGASA-N -1 0 331.199 3.710 20 0 EHADRM CO[C@H](C)CS(=O)(=O)[N-]c1ccccc1Oc1ccc(C)cc1 ZINC000509104730 1129750733 /nfs/dbraw/zinc/75/07/33/1129750733.db2.gz YBVRGLJOZXMFIK-CQSZACIVSA-N -1 0 335.425 3.564 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)c1nc(-c2cccs2)oc1C ZINC000073838415 1129756977 /nfs/dbraw/zinc/75/69/77/1129756977.db2.gz GTXBNQNWOORYOR-UHFFFAOYSA-N -1 0 342.442 3.535 20 0 EHADRM c1nc(-c2ccccn2)sc1CN=c1[n-]nc(C2CCCCC2)o1 ZINC000347817652 1129874696 /nfs/dbraw/zinc/87/46/96/1129874696.db2.gz OMEZBOXBNPASIS-UHFFFAOYSA-N -1 0 341.440 3.670 20 0 EHADRM CCCCc1n[n-]c(=NCc2ccc(OC(F)F)c(OC)c2)s1 ZINC000347819245 1129878241 /nfs/dbraw/zinc/87/82/41/1129878241.db2.gz WCNZVPUBQQEGNI-UHFFFAOYSA-N -1 0 343.399 3.525 20 0 EHADRM Cc1ccc(C)c(NC(=O)N=c2[n-]nc(/C=C/c3ccco3)s2)c1 ZINC000466547617 1129893373 /nfs/dbraw/zinc/89/33/73/1129893373.db2.gz GALBRGLBSQEFKW-BQYQJAHWSA-N -1 0 340.408 3.984 20 0 EHADRM CSc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1Cl ZINC000673898839 1129896362 /nfs/dbraw/zinc/89/63/62/1129896362.db2.gz SGMKYCVBYUPBBQ-QWRGUYRKSA-N -1 0 325.817 3.667 20 0 EHADRM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccccc1C(C)=O ZINC000736064470 1131406974 /nfs/dbraw/zinc/40/69/74/1131406974.db2.gz UEBHUWGINXXYBK-UHFFFAOYSA-N -1 0 331.437 3.815 20 0 EHADRM COc1cc(Nc2ccc(C(=O)[O-])c(F)c2F)ncc1C(F)(F)F ZINC001212512211 1129920045 /nfs/dbraw/zinc/92/00/45/1129920045.db2.gz AYMLHXLSDXSLOS-UHFFFAOYSA-N -1 0 348.227 3.829 20 0 EHADRM O=C([O-])c1ccc(Nc2cccnc2OC(F)(F)F)c(F)c1F ZINC001212512556 1129921153 /nfs/dbraw/zinc/92/11/53/1129921153.db2.gz RMWMOTRPXBPWFY-UHFFFAOYSA-N -1 0 334.200 3.700 20 0 EHADRM COc1ccc(C(C)=O)c(Nc2ccc(C(=O)[O-])c(F)c2F)c1C ZINC001212514508 1129926740 /nfs/dbraw/zinc/92/67/40/1129926740.db2.gz WSEJYRQPLITQPJ-UHFFFAOYSA-N -1 0 335.306 3.926 20 0 EHADRM COC(=O)CCCc1ccc(Nc2ccc(C(=O)[O-])c(F)c2F)cc1 ZINC001212514771 1129927166 /nfs/dbraw/zinc/92/71/66/1129927166.db2.gz LJNDZPBIOSWWOC-UHFFFAOYSA-N -1 0 349.333 3.902 20 0 EHADRM COc1cc(Nc2ccc(C(=O)[O-])c(F)c2F)cc2cccnc21 ZINC001212515896 1129927920 /nfs/dbraw/zinc/92/79/20/1129927920.db2.gz UILRPKZXBSPUJY-UHFFFAOYSA-N -1 0 330.290 3.963 20 0 EHADRM C[C@H](Cc1n[n-]c(=NCc2ccc3c(c2)ncn3C)o1)CC(C)(C)C ZINC000347866963 1129946453 /nfs/dbraw/zinc/94/64/53/1129946453.db2.gz AHGIXGQNXIIVIE-CYBMUJFWSA-N -1 0 341.459 3.605 20 0 EHADRM CCCCc1n[n-]c(=NCc2ccc(-n3cnc4ccccc43)cc2)o1 ZINC000347881920 1129974446 /nfs/dbraw/zinc/97/44/46/1129974446.db2.gz APIBDYBSUUQMKO-UHFFFAOYSA-N -1 0 347.422 3.785 20 0 EHADRM CC(C)Oc1cccc(CC(=O)N=c2ccc(-c3ccccc3)n[n-]2)c1 ZINC000466633962 1129994030 /nfs/dbraw/zinc/99/40/30/1129994030.db2.gz HUOANAALGNMNSP-UHFFFAOYSA-N -1 0 347.418 3.534 20 0 EHADRM Cc1nc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2C(C)C)cn1C ZINC000171474950 1130061458 /nfs/dbraw/zinc/06/14/58/1130061458.db2.gz JFASQSUCLNCQME-UHFFFAOYSA-N -1 0 335.473 3.776 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2O)c(C)c1 ZINC000172515981 1130141581 /nfs/dbraw/zinc/14/15/81/1130141581.db2.gz CBPOCKMPEPMWKJ-UHFFFAOYSA-N -1 0 341.816 3.554 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2CCc3ccc(C)cc32)n1 ZINC000674604038 1130148304 /nfs/dbraw/zinc/14/83/04/1130148304.db2.gz ICWAUQXCGUWYHX-UHFFFAOYSA-N -1 0 347.418 3.652 20 0 EHADRM O=S(=O)([N-]c1cc(-c2cccc(Cl)c2)[nH]n1)c1ccccc1 ZINC000674755729 1130188185 /nfs/dbraw/zinc/18/81/85/1130188185.db2.gz XPXOQRRBRUIHGC-UHFFFAOYSA-N -1 0 333.800 3.531 20 0 EHADRM Cc1ccc(OC(F)F)c(CNC(=O)c2c([O-])cc(F)cc2F)c1 ZINC000675041306 1130247165 /nfs/dbraw/zinc/24/71/65/1130247165.db2.gz IXVYTGNGJUMRNB-UHFFFAOYSA-N -1 0 343.276 3.510 20 0 EHADRM O=C([O-])c1cc(Br)cc(NC[C@H]2CCC(F)(F)C2)c1 ZINC001162656421 1130424478 /nfs/dbraw/zinc/42/44/78/1130424478.db2.gz UWJNDMSYRXLFQM-QMMMGPOBSA-N -1 0 334.160 3.995 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N(CCC(=O)[O-])CC2CC2)c1 ZINC000675969378 1130511980 /nfs/dbraw/zinc/51/19/80/1130511980.db2.gz BKKLLHBWSCNXHH-OAHLLOKOSA-N -1 0 347.455 3.599 20 0 EHADRM Cc1cc2cc(C(=O)N(CC(=O)[O-])C3CCCCC3)oc2cc1C ZINC000675993650 1130513395 /nfs/dbraw/zinc/51/33/95/1130513395.db2.gz OPDNJGKKTFVDTR-UHFFFAOYSA-N -1 0 329.396 3.909 20 0 EHADRM O=C([O-])CN(C(=O)[C@H]1C[C@@H]1c1ccccc1Cl)C1CCCCC1 ZINC000675994262 1130515097 /nfs/dbraw/zinc/51/50/97/1130515097.db2.gz XVNXVKAWROPNMB-CABCVRRESA-N -1 0 335.831 3.689 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCC2(C(=O)[O-])CCCC2)c1 ZINC000676022860 1130518022 /nfs/dbraw/zinc/51/80/22/1130518022.db2.gz FTUGUKMGALIJAA-OAHLLOKOSA-N -1 0 347.455 3.647 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2CCCC23CC3)ccc1Br ZINC000706260418 1130561190 /nfs/dbraw/zinc/56/11/90/1130561190.db2.gz SNKQHQUIRDNCEH-NSHDSACASA-N -1 0 338.201 3.666 20 0 EHADRM O=C([N-]CC1(c2ccc(Br)s2)CCC1)C(F)(F)F ZINC000804141914 1130570903 /nfs/dbraw/zinc/57/09/03/1130570903.db2.gz OUGGEWBAKAIOCT-UHFFFAOYSA-N -1 0 342.180 3.611 20 0 EHADRM CCCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000727949907 1130612553 /nfs/dbraw/zinc/61/25/53/1130612553.db2.gz BRPVHFNAXXLERZ-CYBMUJFWSA-N -1 0 329.437 3.627 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H](C)CC(C)C)cc1 ZINC000727951928 1130613291 /nfs/dbraw/zinc/61/32/91/1130613291.db2.gz PVCVCVXIWXXNAG-AWEZNQCLSA-N -1 0 325.474 3.516 20 0 EHADRM CCCC[C@@H](CCC)OC(=O)c1ccc(F)cc1[N-]S(C)(=O)=O ZINC000730300185 1130697315 /nfs/dbraw/zinc/69/73/15/1130697315.db2.gz XFEGAPOCUXCHTB-CYBMUJFWSA-N -1 0 345.436 3.713 20 0 EHADRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)CCc1ccc2ccccc2c1 ZINC000732906703 1130972453 /nfs/dbraw/zinc/97/24/53/1130972453.db2.gz PGKXGNATYBAOCK-HNNXBMFYSA-N -1 0 347.480 3.655 20 0 EHADRM CCC(CC)CS(=O)(=O)[N-]C(=O)c1ccccc1SC(C)C ZINC000733060643 1130990416 /nfs/dbraw/zinc/99/04/16/1130990416.db2.gz VGSFGHAJBJZEDE-UHFFFAOYSA-N -1 0 343.514 3.683 20 0 EHADRM COc1ccc(-c2ccc(C)c(NC(=O)CC(C)(C)C(=O)[O-])c2)cn1 ZINC000282571388 1131101282 /nfs/dbraw/zinc/10/12/82/1131101282.db2.gz KOTSNICZISMTDJ-UHFFFAOYSA-N -1 0 342.395 3.505 20 0 EHADRM O=C(NCCc1ccc(C(F)(F)F)cc1)c1cc(F)c([O-])c(F)c1 ZINC000176942562 1131154230 /nfs/dbraw/zinc/15/42/30/1131154230.db2.gz AYZWMRVMCWHMRL-UHFFFAOYSA-N -1 0 345.267 3.662 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CCNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000734017160 1131183805 /nfs/dbraw/zinc/18/38/05/1131183805.db2.gz CXGJBGWYLMUAFI-VXGBXAGGSA-N -1 0 345.468 3.570 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cc(C)sc1C ZINC000734080982 1131194640 /nfs/dbraw/zinc/19/46/40/1131194640.db2.gz FGTIOFUKBABPDN-AWEZNQCLSA-N -1 0 343.514 3.776 20 0 EHADRM C[C@@H](NC(=O)c1c([O-])cc(F)cc1F)c1nc2ccccc2s1 ZINC000734179422 1131207941 /nfs/dbraw/zinc/20/79/41/1131207941.db2.gz WNDLAIYNODRQQR-MRVPVSSYSA-N -1 0 334.347 3.771 20 0 EHADRM CCCC[C@@H](CC)CC(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1 ZINC000737347502 1131447926 /nfs/dbraw/zinc/44/79/26/1131447926.db2.gz ISKYHZUFMVNWGR-LSDHHAIUSA-N -1 0 325.474 3.800 20 0 EHADRM CCCCN(C(=O)NCC1(C(=O)[O-])CCC1)[C@H](C)c1ccc(C)o1 ZINC000737821503 1131456631 /nfs/dbraw/zinc/45/66/31/1131456631.db2.gz JMOHFMLNNMCACY-CQSZACIVSA-N -1 0 336.432 3.716 20 0 EHADRM CCCS(=O)(=O)[N-]C(=O)c1cc2sc3ccccc3c2s1 ZINC000739203467 1131495851 /nfs/dbraw/zinc/49/58/51/1131495851.db2.gz IPRVFOMMPMHLLU-UHFFFAOYSA-N -1 0 339.463 3.586 20 0 EHADRM CC(F)(F)c1ccc(Nc2cc(S(C)(=O)=O)ccc2O)cc1 ZINC001212677433 1131817330 /nfs/dbraw/zinc/81/73/30/1131817330.db2.gz WNKRTGQWXHXZFT-UHFFFAOYSA-N -1 0 327.352 3.651 20 0 EHADRM O=C(Nc1ccc(N2CCSCC2)cc1)c1c([O-])cccc1Cl ZINC000743502906 1131931252 /nfs/dbraw/zinc/93/12/52/1131931252.db2.gz KTCGVQXZHMVUJW-UHFFFAOYSA-N -1 0 348.855 3.851 20 0 EHADRM CSC(C)(C)CNC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000743821572 1131981961 /nfs/dbraw/zinc/98/19/61/1131981961.db2.gz PQOYGMCUHOBDJS-UHFFFAOYSA-N -1 0 347.484 3.573 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nc(C)c(-c3ccccc3)s2)o1 ZINC000773366385 1132005946 /nfs/dbraw/zinc/00/59/46/1132005946.db2.gz SHODADQEGNILRV-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1 ZINC000744163569 1132029442 /nfs/dbraw/zinc/02/94/42/1132029442.db2.gz BVPPOPKIXZWRKB-CABCVRRESA-N -1 0 325.474 3.800 20 0 EHADRM O=S(=O)([O-])c1cc(O)c2ccc(Nc3cccc(F)c3)cc2c1 ZINC001173837616 1132163792 /nfs/dbraw/zinc/16/37/92/1132163792.db2.gz CWJKCKLRXLUBNS-UHFFFAOYSA-N -1 0 333.340 3.675 20 0 EHADRM O=C(Nc1nc(-c2cccs2)ns1)c1c([O-])cc(F)cc1F ZINC000182148586 1132210488 /nfs/dbraw/zinc/21/04/88/1132210488.db2.gz DZGWLVMJHWMLPO-UHFFFAOYSA-N -1 0 339.348 3.503 20 0 EHADRM CC(C)CCn1cc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)cn1 ZINC001174418365 1132347517 /nfs/dbraw/zinc/34/75/17/1132347517.db2.gz RXHYEOJARCISKT-UHFFFAOYSA-N -1 0 343.836 3.573 20 0 EHADRM COc1ccc(F)c(F)c1Nc1cc(S(=O)(=O)[O-])ccc1Cl ZINC001174425220 1132349828 /nfs/dbraw/zinc/34/98/28/1132349828.db2.gz KCQHJJKFRUQUCL-UHFFFAOYSA-N -1 0 349.742 3.617 20 0 EHADRM COc1cccc(-n2nccc2Nc2cccc(/C=C/C(=O)[O-])c2)c1 ZINC001174495367 1132371822 /nfs/dbraw/zinc/37/18/22/1132371822.db2.gz OQAZJWAAHSEPHE-CMDGGOBGSA-N -1 0 335.363 3.722 20 0 EHADRM Cc1cc(Nc2cccc(/C=C/C(=O)[O-])c2)cc(Br)n1 ZINC001174495567 1132371829 /nfs/dbraw/zinc/37/18/29/1132371829.db2.gz UEMQPXMIANGNKD-AATRIKPKSA-N -1 0 333.185 3.994 20 0 EHADRM CO[C@H]1CCOc2c(Nc3cccc(/C=C/C(=O)[O-])c3)cccc21 ZINC001174497433 1132373600 /nfs/dbraw/zinc/37/36/00/1132373600.db2.gz RKHBLHZQIHHWRR-IJDCCNJMSA-N -1 0 325.364 3.998 20 0 EHADRM COC(=O)c1c(C)c(Nc2cccc(/C=C/C(=O)[O-])c2)ccc1F ZINC001174499286 1132373765 /nfs/dbraw/zinc/37/37/65/1132373765.db2.gz DJSGTVHVGDUZEM-RMKNXTFCSA-N -1 0 329.327 3.762 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)NCCCCCCC(C)C)cc2=O)cc1 ZINC000746115821 1132381658 /nfs/dbraw/zinc/38/16/58/1132381658.db2.gz APPZHRYTLIWGNK-UHFFFAOYSA-N -1 0 343.471 3.810 20 0 EHADRM C=CCNC(=O)Nc1ccc(NC(=O)c2c([O-])cccc2Cl)cc1 ZINC000145012262 1132389900 /nfs/dbraw/zinc/38/99/00/1132389900.db2.gz AHNBPRROUDSKBF-UHFFFAOYSA-N -1 0 345.786 3.605 20 0 EHADRM CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000746281539 1132400807 /nfs/dbraw/zinc/40/08/07/1132400807.db2.gz PKYMHVJQJLXJGT-DOMZBBRYSA-N -1 0 348.468 3.688 20 0 EHADRM CCO[C@H]1C[C@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)C12CCCC2 ZINC000184460425 1132410486 /nfs/dbraw/zinc/41/04/86/1132410486.db2.gz MLIUSOUKGVHZFA-KBPBESRZSA-N -1 0 341.810 3.652 20 0 EHADRM COc1cc(Nc2ccc3ccccc3c2S(=O)(=O)[O-])ccc1O ZINC001174544012 1132411569 /nfs/dbraw/zinc/41/15/69/1132411569.db2.gz KQRYBSXWQNOWSY-UHFFFAOYSA-N -1 0 345.376 3.544 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ccnn1Cc1ccccc1F ZINC001174671111 1132431935 /nfs/dbraw/zinc/43/19/35/1132431935.db2.gz SLFDRPXBRFSROY-UHFFFAOYSA-N -1 0 341.342 3.521 20 0 EHADRM COC(=O)CCCc1ccc(Nc2ccc(C(=O)[O-])cc2OC)cc1 ZINC001174676501 1132434032 /nfs/dbraw/zinc/43/40/32/1132434032.db2.gz LAWCEXKAGCFCJS-UHFFFAOYSA-N -1 0 343.379 3.633 20 0 EHADRM COc1cc(Nc2cc(C(F)(F)F)cnc2F)ccc1C(=O)[O-] ZINC001174684200 1132435793 /nfs/dbraw/zinc/43/57/93/1132435793.db2.gz ZVPDWDJURGZEOT-UHFFFAOYSA-N -1 0 330.237 3.690 20 0 EHADRM COc1cc(Nc2ccc(OCC3CCC3)nc2)ccc1C(=O)[O-] ZINC001174683153 1132435970 /nfs/dbraw/zinc/43/59/70/1132435970.db2.gz SDZRCDDFTJGYLP-UHFFFAOYSA-N -1 0 328.368 3.711 20 0 EHADRM COC(=O)c1cccc(Nc2ccc(C(=O)[O-])c(OC)c2)c1Cl ZINC001174688078 1132436701 /nfs/dbraw/zinc/43/67/01/1132436701.db2.gz NVLHPZSYVZYVHF-UHFFFAOYSA-N -1 0 335.743 3.577 20 0 EHADRM COc1ccc2nc(C)c(C(=O)Nc3ccc(C(=O)[O-])cc3)cc2c1 ZINC000746338044 1132467929 /nfs/dbraw/zinc/46/79/29/1132467929.db2.gz LNGFBLYLHPWICN-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccc(Nc2ccc(C(=O)[O-])s2)cn1 ZINC001174808962 1132479080 /nfs/dbraw/zinc/47/90/80/1132479080.db2.gz UYLOLCVQBIQYFA-UHFFFAOYSA-N -1 0 335.385 3.932 20 0 EHADRM COc1cccc(Nc2ccc(C(=O)[O-])s2)c1C(=O)C(F)(F)F ZINC001174812171 1132479884 /nfs/dbraw/zinc/47/98/84/1132479884.db2.gz FBEOHHUODARRKY-UHFFFAOYSA-N -1 0 345.298 3.944 20 0 EHADRM Cc1ccc(F)cc1Nc1c(O)cc(S(=O)(=O)[O-])c2ccccc21 ZINC001174885086 1132482673 /nfs/dbraw/zinc/48/26/73/1132482673.db2.gz ZNOWQFWVQFPFMK-UHFFFAOYSA-N -1 0 347.367 3.983 20 0 EHADRM COc1cc(F)c(Nc2c(C)cc(C)cc2S(=O)(=O)[O-])cc1F ZINC001174927767 1132508533 /nfs/dbraw/zinc/50/85/33/1132508533.db2.gz PVVFYUIZEDCSPT-UHFFFAOYSA-N -1 0 343.351 3.581 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc3ncccc3c2)ccc1Cl ZINC000390573847 1132515441 /nfs/dbraw/zinc/51/54/41/1132515441.db2.gz PACQFCPUPPFULH-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM Cc1cc(Nc2ccc(CC(=O)[O-])cc2)n(Cc2ccccc2F)n1 ZINC001174950951 1132516548 /nfs/dbraw/zinc/51/65/48/1132516548.db2.gz WLKJDFMRQSUNLP-UHFFFAOYSA-N -1 0 339.370 3.750 20 0 EHADRM O=C([O-])Cc1ccc(Nc2cccc(C(=O)N3CCCCC3)c2)cc1 ZINC001174952007 1132516948 /nfs/dbraw/zinc/51/69/48/1132516948.db2.gz JFUBSSFHDNYFQJ-UHFFFAOYSA-N -1 0 338.407 3.683 20 0 EHADRM CCOC(=O)CCc1cccc(Nc2ccc(CC(=O)[O-])cc2)c1 ZINC001174955604 1132517253 /nfs/dbraw/zinc/51/72/53/1132517253.db2.gz BIFOKWRACPKPBK-UHFFFAOYSA-N -1 0 327.380 3.553 20 0 EHADRM COC(=O)c1cccc2c(Nc3cc(C(=O)[O-])ccc3C)ccnc12 ZINC001174983431 1132534907 /nfs/dbraw/zinc/53/49/07/1132534907.db2.gz MUTKUKODRXFUBG-UHFFFAOYSA-N -1 0 336.347 3.772 20 0 EHADRM CCOc1cc(F)c(Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1F ZINC001175058513 1132537526 /nfs/dbraw/zinc/53/75/26/1132537526.db2.gz DZNNLWIXHWFJLX-UHFFFAOYSA-N -1 0 331.322 3.998 20 0 EHADRM CCOc1ccc(-n2[n-]c(=O)c3ccc(N)cc32)cc1C(F)(F)F ZINC001175040550 1132546707 /nfs/dbraw/zinc/54/67/07/1132546707.db2.gz MFXUIASWQUZTTM-UHFFFAOYSA-N -1 0 337.301 3.731 20 0 EHADRM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)C2CCN(C(=O)[O-])CC2)cc1 ZINC000738266119 1132552761 /nfs/dbraw/zinc/55/27/61/1132552761.db2.gz UBVXUWQXHLGYDY-QAPCUYQASA-N -1 0 344.455 3.685 20 0 EHADRM Cc1cccc2c(CC(=O)Nc3ccc(/C=C\C(=O)[O-])cc3)c[nH]c21 ZINC000738311002 1132558018 /nfs/dbraw/zinc/55/80/18/1132558018.db2.gz MENMBQTWDZWZPN-YFHOEESVSA-N -1 0 334.375 3.755 20 0 EHADRM Cc1nc(Br)ccc1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175154523 1132568874 /nfs/dbraw/zinc/56/88/74/1132568874.db2.gz OZPYYGVOYUJSCJ-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM COC(=O)c1cc(Nc2cc(F)c(C(=O)[O-])c(F)c2)ccc1Cl ZINC001203330436 1132568911 /nfs/dbraw/zinc/56/89/11/1132568911.db2.gz URKZWFZUIFVARH-UHFFFAOYSA-N -1 0 341.697 3.847 20 0 EHADRM Cc1ccccc1-c1cc(Nc2ccc(C(=O)[O-])c(F)c2)n(C)n1 ZINC001175157135 1132569524 /nfs/dbraw/zinc/56/95/24/1132569524.db2.gz AMLFPYFMDGAMHN-UHFFFAOYSA-N -1 0 325.343 3.976 20 0 EHADRM CCOc1cc(-n2[n-]c(=O)c3cc(N)ccc32)cc(C(F)(F)F)c1 ZINC001175139585 1132579428 /nfs/dbraw/zinc/57/94/28/1132579428.db2.gz OWBUURDMFDYDAU-UHFFFAOYSA-N -1 0 337.301 3.731 20 0 EHADRM Cc1cc(N)c(Nc2ccc(F)c(C(=O)[O-])c2)c(Br)c1 ZINC001175219878 1132598666 /nfs/dbraw/zinc/59/86/66/1132598666.db2.gz HATZTKODUIPTCU-UHFFFAOYSA-N -1 0 339.164 3.921 20 0 EHADRM O=C(Cc1cc2ccccc2o1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001168914351 1132605056 /nfs/dbraw/zinc/60/50/56/1132605056.db2.gz KZIOTKFUDDMBLY-UHFFFAOYSA-N -1 0 333.347 3.505 20 0 EHADRM Cc1cnn(Cc2cccnc2)c1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175314271 1132634627 /nfs/dbraw/zinc/63/46/27/1132634627.db2.gz RFYBCVDBEUZIDX-UHFFFAOYSA-N -1 0 342.786 3.730 20 0 EHADRM Cc1cc(Nc2ccc(C(=O)[O-])c(Cl)c2)n(Cc2ccncc2)n1 ZINC001175313804 1132635062 /nfs/dbraw/zinc/63/50/62/1132635062.db2.gz LOTSEIASACZENY-UHFFFAOYSA-N -1 0 342.786 3.730 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(N3CCCC3=O)cc2)cc1Cl ZINC001175316629 1132636170 /nfs/dbraw/zinc/63/61/70/1132636170.db2.gz PRSPRBOKIHIYSC-UHFFFAOYSA-N -1 0 330.771 3.909 20 0 EHADRM O=C([O-])c1ccc(Nc2cnc(-c3ccc(O)cc3)nc2)cc1Cl ZINC001175315066 1132636259 /nfs/dbraw/zinc/63/62/59/1132636259.db2.gz LWYKPGAKSLDEIO-UHFFFAOYSA-N -1 0 341.754 3.944 20 0 EHADRM O=C([O-])c1cccc(Nc2c(F)cccc2OC[C@H]2CCCO2)c1 ZINC001175334885 1132642328 /nfs/dbraw/zinc/64/23/28/1132642328.db2.gz NJIYXYYCAFCIHN-CQSZACIVSA-N -1 0 331.343 3.825 20 0 EHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1cccc(C(F)F)c1 ZINC000766576123 1132651755 /nfs/dbraw/zinc/65/17/55/1132651755.db2.gz DJQDTKGOQGOJJD-UHFFFAOYSA-N -1 0 327.352 3.742 20 0 EHADRM O=C(CCc1cc(F)ccn1)Nc1ccc2[n-]c(=S)sc2c1 ZINC001175431890 1132668149 /nfs/dbraw/zinc/66/81/49/1132668149.db2.gz YWZHGDLRYCUMBS-UHFFFAOYSA-N -1 0 333.413 3.690 20 0 EHADRM C[S@@](=O)c1ccc(Nc2c(Cl)c(F)[n-]c(=O)c2Cl)cc1 ZINC001175472758 1132675256 /nfs/dbraw/zinc/67/52/56/1132675256.db2.gz BOQDZBPCKGEDOC-HXUWFJFHSA-N -1 0 335.187 3.714 20 0 EHADRM Cc1ccc2n[nH]cc2c1Nc1cc(S(=O)(=O)[O-])ccc1Cl ZINC001175527582 1132700180 /nfs/dbraw/zinc/70/01/80/1132700180.db2.gz PTNBIQZMOHITFO-UHFFFAOYSA-N -1 0 337.788 3.515 20 0 EHADRM COc1ccc(NC=Cc2ccc(Cl)cc2)c(S(=O)(=O)[O-])c1 ZINC001175599132 1132707939 /nfs/dbraw/zinc/70/79/39/1132707939.db2.gz KRFBBNUELINQRT-CMDGGOBGSA-N -1 0 339.800 3.678 20 0 EHADRM Cc1cc(S(=O)(=O)[O-])c(Nc2cccc3c[nH]nc32)cc1Cl ZINC001175639592 1132720304 /nfs/dbraw/zinc/72/03/04/1132720304.db2.gz QGOGRQOJTLAGOD-UHFFFAOYSA-N -1 0 337.788 3.515 20 0 EHADRM O=C([O-])c1cncc(Nc2ccc(Br)c3cnccc23)c1 ZINC001175842856 1132773449 /nfs/dbraw/zinc/77/34/49/1132773449.db2.gz RFAXSEKEPKYZKX-UHFFFAOYSA-N -1 0 344.168 3.834 20 0 EHADRM COC(=O)c1c(Cl)cc(Nc2cncc(C(=O)[O-])c2)cc1Cl ZINC001175843506 1132773581 /nfs/dbraw/zinc/77/35/81/1132773581.db2.gz RKVBDEDBACEXRO-UHFFFAOYSA-N -1 0 341.150 3.617 20 0 EHADRM O=C([O-])c1cncc(Nc2cccc3cc(Br)cnc32)c1 ZINC001175843987 1132773739 /nfs/dbraw/zinc/77/37/39/1132773739.db2.gz XOTNPKJTMFZHOS-UHFFFAOYSA-N -1 0 344.168 3.834 20 0 EHADRM Cc1ccc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)c(F)c1F ZINC001176092957 1132833916 /nfs/dbraw/zinc/83/39/16/1132833916.db2.gz FBOONJLYOQBJNJ-UHFFFAOYSA-N -1 0 333.743 3.917 20 0 EHADRM COC(=O)c1ccc(N(c2ccc(Cl)c(O)c2)C2CC2)c(N)c1 ZINC001212595485 1132870994 /nfs/dbraw/zinc/87/09/94/1132870994.db2.gz WIYCNXBLZKQLIN-UHFFFAOYSA-N -1 0 332.787 3.715 20 0 EHADRM CC(C)Oc1cc(Nc2cnn(CC(=O)[O-])c2)c(Cl)cc1Cl ZINC001176270984 1132899702 /nfs/dbraw/zinc/89/97/02/1132899702.db2.gz KXZNNOPFRWVUQK-UHFFFAOYSA-N -1 0 344.198 3.805 20 0 EHADRM O=C([O-])Cn1cc(Nc2cc(Br)c3ccccc3c2)cn1 ZINC001176273267 1132900096 /nfs/dbraw/zinc/90/00/96/1132900096.db2.gz WGSDESWHQPSTAO-UHFFFAOYSA-N -1 0 346.184 3.627 20 0 EHADRM O=C([O-])CCN(CC1CC1)C(=O)c1sc2ccccc2c1Cl ZINC000766920438 1132915370 /nfs/dbraw/zinc/91/53/70/1132915370.db2.gz QFBAWPZSQJVKPX-UHFFFAOYSA-N -1 0 337.828 3.882 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C\C(=O)N(CCC(=O)[O-])CC1CC1 ZINC000766920325 1132915437 /nfs/dbraw/zinc/91/54/37/1132915437.db2.gz MMKKGZFLLCQUBB-JQPIKURYSA-N -1 0 345.439 3.590 20 0 EHADRM CC[C@](C)(NC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000766964243 1132923625 /nfs/dbraw/zinc/92/36/25/1132923625.db2.gz VUURSPWXYUIJFD-GBXSZLQWSA-N -1 0 349.736 3.742 20 0 EHADRM CCOc1ncc(Br)cc1Nc1csc(C(=O)[O-])c1 ZINC001176437607 1132928773 /nfs/dbraw/zinc/92/87/73/1132928773.db2.gz ZPWRAFXMUMBZRY-UHFFFAOYSA-N -1 0 343.202 3.746 20 0 EHADRM Cc1cc2c(ncnc2Nc2ccc(C3(C(=O)[O-])CC3)cc2)s1 ZINC001176582409 1132959661 /nfs/dbraw/zinc/95/96/61/1132959661.db2.gz PDWRKVXSMPMBMS-UHFFFAOYSA-N -1 0 325.393 3.860 20 0 EHADRM COc1ccccc1[C@H]1C[C@@H]1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000767185539 1132962414 /nfs/dbraw/zinc/96/24/14/1132962414.db2.gz CJGDJFKWFLHIRZ-CABCVRRESA-N -1 0 345.782 3.789 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2cnc(Br)c(F)c2)cc1 ZINC001176592574 1132963168 /nfs/dbraw/zinc/96/31/68/1132963168.db2.gz JIVQJHVBCHEOSZ-ZZXKWVIFSA-N -1 0 337.148 3.825 20 0 EHADRM Nc1cccc(-c2cccc(Nc3ccc(/C=C/C(=O)[O-])cc3)n2)n1 ZINC001176591611 1132963217 /nfs/dbraw/zinc/96/32/17/1132963217.db2.gz MNXNXSFUROXUSB-FMIVXFBMSA-N -1 0 332.363 3.567 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2ccc3nc(C4CCC4)nn3c2)cc1 ZINC001176592578 1132963690 /nfs/dbraw/zinc/96/36/90/1132963690.db2.gz JQXUNMPRKLENLL-IZZDOVSWSA-N -1 0 334.379 3.838 20 0 EHADRM COc1cc(C(C)=O)c(Nc2ccc(C=CC(=O)[O-])cc2)cc1F ZINC001176596652 1132964006 /nfs/dbraw/zinc/96/40/06/1132964006.db2.gz HKMAVZYACVGIQF-VMPITWQZSA-N -1 0 329.327 3.878 20 0 EHADRM CCOc1cc(Nc2ccc(/C=C/C(=O)[O-])cc2)cc(C(=O)OC)c1 ZINC001176595967 1132964337 /nfs/dbraw/zinc/96/43/37/1132964337.db2.gz TZZJCESOCHLAMX-RMKNXTFCSA-N -1 0 341.363 3.713 20 0 EHADRM Cn1nc(Br)c2cc(Nc3ccc(C(=O)[O-])cc3)ccc21 ZINC001176712577 1132995054 /nfs/dbraw/zinc/99/50/54/1132995054.db2.gz IFGXMFPYHBGDHC-UHFFFAOYSA-N -1 0 346.184 3.778 20 0 EHADRM Nc1ccc(C(=O)Nc2ccc(Nc3ccc(C(=O)[O-])cc3)cc2)cc1 ZINC001176712593 1132995076 /nfs/dbraw/zinc/99/50/76/1132995076.db2.gz JNJCSXULPUQIKQ-UHFFFAOYSA-N -1 0 347.374 3.963 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc3nc(-c4ccccc4F)nn3c2)cc1 ZINC001176710866 1132995111 /nfs/dbraw/zinc/99/51/11/1132995111.db2.gz PXUDAGUFFBOGJE-UHFFFAOYSA-N -1 0 348.337 3.977 20 0 EHADRM Cc1cc(Nc2ccc(C(=O)[O-])cc2)n(Cc2ccc(F)cc2)n1 ZINC001176710378 1132995124 /nfs/dbraw/zinc/99/51/24/1132995124.db2.gz HYSPVXBWHMBMSH-UHFFFAOYSA-N -1 0 325.343 3.821 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(Cl)cc(Br)n2)cc1 ZINC001176711137 1132995193 /nfs/dbraw/zinc/99/51/93/1132995193.db2.gz ZFNOBFHXOQDMBQ-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM C[C@@H]1CC[C@@H](OC(=O)c2cc3ccccc3cc2[N-]S(C)(=O)=O)C1 ZINC000767517419 1133012180 /nfs/dbraw/zinc/01/21/80/1133012180.db2.gz CKFOUBQQTDATSP-IUODEOHRSA-N -1 0 347.436 3.557 20 0 EHADRM CC(C)c1cc([C@@H]2CCCN(C(=O)c3ccc(Cl)c([O-])c3)C2)[nH]n1 ZINC001177065597 1133027181 /nfs/dbraw/zinc/02/71/81/1133027181.db2.gz WRQGDCIBSPFUHR-CYBMUJFWSA-N -1 0 347.846 3.912 20 0 EHADRM CC1N=NC(C(=O)Nc2ccc(Oc3ccccc3F)cc2)=C1[O-] ZINC001177995011 1133126665 /nfs/dbraw/zinc/12/66/65/1133126665.db2.gz YWSFOSPTMGZLFK-UHFFFAOYSA-N -1 0 327.315 3.607 20 0 EHADRM C/C=C(C)/C=C/C(=O)Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1 ZINC001178512977 1133174997 /nfs/dbraw/zinc/17/49/97/1133174997.db2.gz UTYFKBUWZHJUQL-UNCCMLOSSA-N -1 0 331.393 3.547 20 0 EHADRM Cc1c(Cl)cc(NC(=O)[C@H]2CC23CCOCC3)c([O-])c1Cl ZINC001179318614 1133244286 /nfs/dbraw/zinc/24/42/86/1133244286.db2.gz ZODCRMJDNYFBDW-SECBINFHSA-N -1 0 330.211 3.763 20 0 EHADRM CCc1cccc(NC(=O)c2ccc(Br)cc2[O-])c1O ZINC001179614923 1133264823 /nfs/dbraw/zinc/26/48/23/1133264823.db2.gz XTQREURJXRUXBD-UHFFFAOYSA-N -1 0 336.185 3.675 20 0 EHADRM O=C([N-][C@@H](c1ccccc1)c1ccncc1)C(F)(F)C(F)(F)Cl ZINC001179780537 1133278857 /nfs/dbraw/zinc/27/88/57/1133278857.db2.gz ZTBRTGFQXZNOHU-LBPRGKRZSA-N -1 0 346.711 3.754 20 0 EHADRM CCC[C@@H](C(=O)N[C@@H](C)c1nn(C)cc1[O-])c1ccc(Cl)cc1 ZINC001179926456 1133300400 /nfs/dbraw/zinc/30/04/00/1133300400.db2.gz FRUDGWQKBRCNOF-SMDDNHRTSA-N -1 0 335.835 3.540 20 0 EHADRM CCN(Cc1ccccc1NC(=O)c1c([O-])cccc1Cl)C(C)=O ZINC000769685373 1133324412 /nfs/dbraw/zinc/32/44/12/1133324412.db2.gz FRGSYEPBYRICGA-UHFFFAOYSA-N -1 0 346.814 3.666 20 0 EHADRM COc1ccc(CN(C)C(=O)c2cc(F)c([O-])c(Cl)c2)cc1F ZINC000769678591 1133329003 /nfs/dbraw/zinc/32/90/03/1133329003.db2.gz KHQUHWLEDSPQIG-UHFFFAOYSA-N -1 0 341.741 3.605 20 0 EHADRM CCN(CC)C(=O)c1ccccc1NC(=O)c1c([O-])cccc1Cl ZINC000769721141 1133335400 /nfs/dbraw/zinc/33/54/00/1133335400.db2.gz YMMDFDNJFDCXEM-UHFFFAOYSA-N -1 0 346.814 3.780 20 0 EHADRM CC(=O)Nc1cc(Cl)ccc1NC(=O)c1c([O-])cccc1Cl ZINC000769779791 1133344613 /nfs/dbraw/zinc/34/46/13/1133344613.db2.gz WLXKACWCAQBQBO-UHFFFAOYSA-N -1 0 339.178 3.910 20 0 EHADRM O=C([O-])C1(C(=O)N2CCC[C@@H](Cc3ccccc3)C2)CCCCC1 ZINC001180435350 1133369554 /nfs/dbraw/zinc/36/95/54/1133369554.db2.gz DSBGVIDIAIAMCI-KRWDZBQOSA-N -1 0 329.440 3.503 20 0 EHADRM CN(CC(=O)Nc1ccc2[n-]c(=S)sc2c1)c1ccccc1 ZINC001180948822 1133435261 /nfs/dbraw/zinc/43/52/61/1133435261.db2.gz XKHTYFKMOPCOBJ-UHFFFAOYSA-N -1 0 329.450 3.660 20 0 EHADRM CC(C)Oc1cccc(CNC(=O)c2cc(F)c([O-])c(Cl)c2)c1 ZINC000772124115 1133643868 /nfs/dbraw/zinc/64/38/68/1133643868.db2.gz PJZPDYPZUZWNLL-UHFFFAOYSA-N -1 0 337.778 3.902 20 0 EHADRM O=C([N-]O[C@H]1CCCCO1)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000772154381 1133652358 /nfs/dbraw/zinc/65/23/58/1133652358.db2.gz IWMXGAFCQWDZRZ-ZDUSSCGKSA-N -1 0 344.238 3.990 20 0 EHADRM CC(C)Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCC2(C)C)cc1 ZINC000774408410 1133673329 /nfs/dbraw/zinc/67/33/29/1133673329.db2.gz CEJONLDYDZHWFJ-INIZCTEOSA-N -1 0 337.485 3.516 20 0 EHADRM O=C(NCc1cc(F)ccc1F)c1c([O-])cc(Cl)cc1Cl ZINC001182656938 1133716131 /nfs/dbraw/zinc/71/61/31/1133716131.db2.gz XXPNFIDUTGLPAT-UHFFFAOYSA-N -1 0 332.133 3.907 20 0 EHADRM Cc1nc2ccc(Cl)cn2c1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000785555214 1133721163 /nfs/dbraw/zinc/72/11/63/1133721163.db2.gz WCPRUUJCTNVCSZ-UHFFFAOYSA-N -1 0 349.843 3.714 20 0 EHADRM O=C(Cc1ccc([S-])cc1)N1CCC2(Cc3ccccc3O2)CC1 ZINC001183191325 1133777783 /nfs/dbraw/zinc/77/77/83/1133777783.db2.gz XQYQXGZCZXXVOW-UHFFFAOYSA-N -1 0 339.460 3.514 20 0 EHADRM CCC[C@@H](C(=O)[N-]S(=O)(=O)c1ccccc1CC)c1ccccc1 ZINC000786661129 1133882716 /nfs/dbraw/zinc/88/27/16/1133882716.db2.gz YWWSWAHXJSLORJ-QGZVFWFLSA-N -1 0 345.464 3.638 20 0 EHADRM O=S(=O)(NCc1ccc(Cl)cc1)c1cc(Cl)ccc1F ZINC001184602739 1133964983 /nfs/dbraw/zinc/96/49/83/1133964983.db2.gz MHOKFEOANMFFAC-UHFFFAOYSA-N -1 0 334.199 3.611 20 0 EHADRM CCNC(=O)Nc1ccc(C)c(NC(=O)c2c([O-])cccc2Cl)c1 ZINC000787702407 1134030548 /nfs/dbraw/zinc/03/05/48/1134030548.db2.gz OBWUJGNOVAKJPX-UHFFFAOYSA-N -1 0 347.802 3.748 20 0 EHADRM O=S(=O)(Cc1cc(F)cc(F)c1)Nc1c([S-])cccc1Cl ZINC001185137975 1134034686 /nfs/dbraw/zinc/03/46/86/1134034686.db2.gz TYZGCXRYKCJRIN-UHFFFAOYSA-N -1 0 349.811 3.849 20 0 EHADRM C[C@@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)c1ccc(Cl)cn1 ZINC000787913818 1134055258 /nfs/dbraw/zinc/05/52/58/1134055258.db2.gz AKNJGPGEOXMABK-MRVPVSSYSA-N -1 0 333.800 3.656 20 0 EHADRM O=S(=O)([N-]c1cc(-c2ccccc2Cl)no1)c1ccsc1 ZINC001185350761 1134070842 /nfs/dbraw/zinc/07/08/42/1134070842.db2.gz KUWMSXUFHLCZEM-UHFFFAOYSA-N -1 0 340.813 3.857 20 0 EHADRM O=S(=O)([N-]c1ncccc1OCc1ccccc1)c1ccsc1 ZINC001185340959 1134074681 /nfs/dbraw/zinc/07/46/81/1134074681.db2.gz QHRGPPCXTFIHLV-UHFFFAOYSA-N -1 0 346.433 3.523 20 0 EHADRM O=S(=O)([N-]c1cccc(C2CC2)n1)c1cc2ccccc2s1 ZINC001185433904 1134085042 /nfs/dbraw/zinc/08/50/42/1134085042.db2.gz SBLNMWFBPXUAAQ-UHFFFAOYSA-N -1 0 330.434 3.975 20 0 EHADRM O=C1CCc2cccc([N-]S(=O)(=O)c3cc4ccccc4s3)c21 ZINC001185462771 1134092510 /nfs/dbraw/zinc/09/25/10/1134092510.db2.gz MVELLYBVWWASOK-UHFFFAOYSA-N -1 0 343.429 3.831 20 0 EHADRM O=S(=O)([N-]c1ccc2nnsc2c1)c1cc2ccccc2s1 ZINC001185464152 1134092771 /nfs/dbraw/zinc/09/27/71/1134092771.db2.gz NHYRHVLQUNWBND-UHFFFAOYSA-N -1 0 347.446 3.707 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cncc3ccccc32)ccc1Cl ZINC001185485185 1134097052 /nfs/dbraw/zinc/09/70/52/1134097052.db2.gz OWUPLIQRRLKAHL-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM CCN(CC(=O)[O-])C(=O)Nc1cc2oc3ccccc3c2cc1OC ZINC000788322754 1134113445 /nfs/dbraw/zinc/11/34/45/1134113445.db2.gz WNWPBBXMCCIATE-UHFFFAOYSA-N -1 0 342.351 3.533 20 0 EHADRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Cl)nc1C ZINC000788492275 1134132045 /nfs/dbraw/zinc/13/20/45/1134132045.db2.gz SODNQJMBSGNPKN-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM COc1cccc([N-]S(=O)(=O)c2cc(C)c(Cl)s2)c1F ZINC000788754107 1134165100 /nfs/dbraw/zinc/16/51/00/1134165100.db2.gz SCZMDYVCAMRANI-UHFFFAOYSA-N -1 0 335.809 3.658 20 0 EHADRM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)Nc1c(F)cc(F)cc1F ZINC001186063944 1134168201 /nfs/dbraw/zinc/16/82/01/1134168201.db2.gz NHYKPOXDVIRAQT-UHFFFAOYSA-N -1 0 348.284 3.639 20 0 EHADRM C[C@@H]1CCc2sc(NC(=O)c3cccc([S-])c3)c(C(N)=O)c2C1 ZINC001186130728 1134173424 /nfs/dbraw/zinc/17/34/24/1134173424.db2.gz YDHJTJCQFFIXJI-SECBINFHSA-N -1 0 346.477 3.513 20 0 EHADRM CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cccc([S-])c1 ZINC001186148269 1134174787 /nfs/dbraw/zinc/17/47/87/1134174787.db2.gz BXGJMZPFPJJQHI-BPUTZDHNSA-N -1 0 347.480 3.558 20 0 EHADRM O=S(=O)([N-]c1ccc2ncoc2c1)c1csc2ccccc21 ZINC001186451797 1134214603 /nfs/dbraw/zinc/21/46/03/1134214603.db2.gz SFQJXHOFUMANAT-UHFFFAOYSA-N -1 0 330.390 3.843 20 0 EHADRM COc1ccc(-c2cccc([N-]S(=O)(=O)c3ccco3)c2)cc1 ZINC001186851884 1134261347 /nfs/dbraw/zinc/26/13/47/1134261347.db2.gz WCRSYVGTNMYIMJ-UHFFFAOYSA-N -1 0 329.377 3.756 20 0 EHADRM CC1(C)CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000789413197 1134271674 /nfs/dbraw/zinc/27/16/74/1134271674.db2.gz SFXVEUWXODYGDB-NSHDSACASA-N -1 0 347.839 3.500 20 0 EHADRM Cc1cc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)sn1 ZINC001187035217 1134293592 /nfs/dbraw/zinc/29/35/92/1134293592.db2.gz BGWIFWLCZULLAI-UHFFFAOYSA-N -1 0 337.253 3.700 20 0 EHADRM O=S(=O)([N-]c1cnc(Cl)c(F)c1)c1cc2c(s1)CCCC2 ZINC001187185113 1134306725 /nfs/dbraw/zinc/30/67/25/1134306725.db2.gz PVLUIMLPDDYHOU-UHFFFAOYSA-N -1 0 346.836 3.615 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)cc1 ZINC001187174123 1134310437 /nfs/dbraw/zinc/31/04/37/1134310437.db2.gz RSYMZQGFQRUVHZ-UHFFFAOYSA-N -1 0 335.450 3.630 20 0 EHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187207280 1134314942 /nfs/dbraw/zinc/31/49/42/1134314942.db2.gz XQIREGIRMUEAKU-UHFFFAOYSA-N -1 0 337.466 3.745 20 0 EHADRM Cc1oncc1S(=O)(=O)[N-]c1cc(-c2ccccc2)ccc1C ZINC001187371513 1134327670 /nfs/dbraw/zinc/32/76/70/1134327670.db2.gz ZQRXCMQUXVVVEL-UHFFFAOYSA-N -1 0 328.393 3.759 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cc(Cl)ccc2F)cccc1N(C)C ZINC000789738874 1134330714 /nfs/dbraw/zinc/33/07/14/1134330714.db2.gz WRONEPAPAYJXNA-UHFFFAOYSA-N -1 0 342.823 3.654 20 0 EHADRM Cc1oncc1S(=O)(=O)[N-]c1ccc(-c2ccccc2)c(F)c1 ZINC001187383666 1134333996 /nfs/dbraw/zinc/33/39/96/1134333996.db2.gz XLWOKLDKSPUOAC-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM O=C([O-])c1cc(NCc2ccc(Cl)cc2F)cc2c1OCCO2 ZINC000789902142 1134348071 /nfs/dbraw/zinc/34/80/71/1134348071.db2.gz LATMZTZKCCHVKK-UHFFFAOYSA-N -1 0 337.734 3.561 20 0 EHADRM O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1nc(Cl)cs1 ZINC000790008564 1134360749 /nfs/dbraw/zinc/36/07/49/1134360749.db2.gz FVKWSMRUCXBFCU-ARJAWSKDSA-N -1 0 338.801 3.664 20 0 EHADRM Cc1ccc(-c2ccc([N-]S(=O)(=O)c3c[nH]cn3)cc2Cl)cc1 ZINC001187771517 1134376819 /nfs/dbraw/zinc/37/68/19/1134376819.db2.gz FNKIPDXWKHQMJS-UHFFFAOYSA-N -1 0 347.827 3.839 20 0 EHADRM O=S(=O)([N-]c1ccc(Oc2ccccc2)cc1)c1nccs1 ZINC001187848757 1134389338 /nfs/dbraw/zinc/38/93/38/1134389338.db2.gz ZXTSYNNSVOVQDG-UHFFFAOYSA-N -1 0 332.406 3.736 20 0 EHADRM O=S(=O)([N-]c1ccccc1SC(F)(F)F)c1nccs1 ZINC001187892254 1134399754 /nfs/dbraw/zinc/39/97/54/1134399754.db2.gz ZTTFBXUBRHGRLW-UHFFFAOYSA-N -1 0 340.373 3.556 20 0 EHADRM O=S(=O)([N-]c1cc(-c2ccccc2)nn1C1CCC1)c1ccoc1 ZINC001188579768 1134483915 /nfs/dbraw/zinc/48/39/15/1134483915.db2.gz JYFMSCOAJBODNJ-UHFFFAOYSA-N -1 0 343.408 3.669 20 0 EHADRM C[C@@H](NC(=O)c1ccc([O-])c(C(F)(F)F)c1)c1nc2ccccc2[nH]1 ZINC001188589310 1134485486 /nfs/dbraw/zinc/48/54/86/1134485486.db2.gz RHIKUFRWDOUQSJ-SECBINFHSA-N -1 0 349.312 3.778 20 0 EHADRM Cc1cccc(O)c1C(=O)Nc1ccc(F)c(Br)c1[O-] ZINC001188654705 1134487060 /nfs/dbraw/zinc/48/70/60/1134487060.db2.gz GGIYSIPQYVXTMY-UHFFFAOYSA-N -1 0 340.148 3.560 20 0 EHADRM Cc1nocc1[N-]S(=O)(=O)c1ccc2oc3ccccc3c2c1 ZINC001188803903 1134510581 /nfs/dbraw/zinc/51/05/81/1134510581.db2.gz XVAOAQWSILKPGB-UHFFFAOYSA-N -1 0 328.349 3.683 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(F)n2)c1Cl ZINC000775202504 1134511260 /nfs/dbraw/zinc/51/12/60/1134511260.db2.gz UUUFITFMENYSCR-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM COCCCOC1(COC(=O)c2ccc([O-])c(Cl)c2)CCCC1 ZINC000791267099 1134524755 /nfs/dbraw/zinc/52/47/55/1134524755.db2.gz SWDBSBWRPFMGMZ-UHFFFAOYSA-N -1 0 342.819 3.568 20 0 EHADRM O=S(=O)(CCc1ccc(Cl)cc1)[N-]c1cccc2cccnc21 ZINC001189064388 1134539747 /nfs/dbraw/zinc/53/97/47/1134539747.db2.gz RUWTYVSIADIQMN-UHFFFAOYSA-N -1 0 346.839 3.873 20 0 EHADRM O=C([N-]OC1CCOCC1)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000775239965 1134567461 /nfs/dbraw/zinc/56/74/61/1134567461.db2.gz CXTYPWINPDQULK-UHFFFAOYSA-N -1 0 337.847 3.769 20 0 EHADRM O=S(=O)(Cc1ccc(F)c(F)c1)Nc1ccccc1OC(F)F ZINC001189308427 1134568884 /nfs/dbraw/zinc/56/88/84/1134568884.db2.gz AKODCWDFDPNXBR-UHFFFAOYSA-N -1 0 349.305 3.508 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)c2ccc3[n-]c(=S)oc3c2)c1C ZINC000791578899 1134570462 /nfs/dbraw/zinc/57/04/62/1134570462.db2.gz YIPWBZCWJIPEPK-VIFPVBQESA-N -1 0 330.413 3.845 20 0 EHADRM Cc1csc(C(=O)[N-]S(=O)(=O)[C@H](C)c2ccccc2)c1Cl ZINC000791812671 1134608129 /nfs/dbraw/zinc/60/81/29/1134608129.db2.gz MOMJZIGJWAOZCZ-SNVBAGLBSA-N -1 0 343.857 3.531 20 0 EHADRM Cc1ccc2ccccc2c1NC(=O)c1ccccc1S(=O)(=O)[O-] ZINC001189666687 1134613672 /nfs/dbraw/zinc/61/36/72/1134613672.db2.gz CLEQSEWGNWEMQJ-UHFFFAOYSA-N -1 0 341.388 3.647 20 0 EHADRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000775296041 1134616956 /nfs/dbraw/zinc/61/69/56/1134616956.db2.gz ZHXADHMCLGBCSY-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1)C(F)(F)F ZINC001189741455 1134618796 /nfs/dbraw/zinc/61/87/96/1134618796.db2.gz VZQIUIZZBOXZDY-CPCISQLKSA-N -1 0 347.761 3.734 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)C[C@H]2CCCC(C)(C)C2)sc1C ZINC000775297178 1134620152 /nfs/dbraw/zinc/62/01/52/1134620152.db2.gz PEAPOYXWRHRVGH-CYBMUJFWSA-N -1 0 343.514 3.776 20 0 EHADRM O=S(=O)([N-]c1cccc(F)c1)c1cc(F)cc(C(F)(F)F)c1 ZINC001189948964 1134640722 /nfs/dbraw/zinc/64/07/22/1134640722.db2.gz VGYFCLGFFAGQKM-UHFFFAOYSA-N -1 0 337.269 3.784 20 0 EHADRM CC[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1ncc(F)cc1F ZINC001190133792 1134659945 /nfs/dbraw/zinc/65/99/45/1134659945.db2.gz JLSCVKUTWQYEKH-SNVBAGLBSA-N -1 0 326.368 3.674 20 0 EHADRM Cc1cccc(C(C)(C)C)c1[N-]S(=O)(=O)c1ncc(F)cc1F ZINC001190182316 1134668335 /nfs/dbraw/zinc/66/83/35/1134668335.db2.gz BQNUKXKESLINEI-UHFFFAOYSA-N -1 0 340.395 3.767 20 0 EHADRM O=S(=O)([N-]c1ccc2ncsc2c1)c1cc(F)cc(F)c1F ZINC001190348708 1134686854 /nfs/dbraw/zinc/68/68/54/1134686854.db2.gz UXHJXKAAWLISOO-UHFFFAOYSA-N -1 0 344.339 3.514 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccn3ccnc3c2)cc1 ZINC001190432708 1134699915 /nfs/dbraw/zinc/69/99/15/1134699915.db2.gz WDGHDRQPCIZMFB-UHFFFAOYSA-N -1 0 343.452 3.823 20 0 EHADRM CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190499533 1134707280 /nfs/dbraw/zinc/70/72/80/1134707280.db2.gz BTPYRKPFRVNRJX-UHFFFAOYSA-N -1 0 335.400 3.903 20 0 EHADRM CCOc1c(F)cccc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190511306 1134709056 /nfs/dbraw/zinc/70/90/56/1134709056.db2.gz CQKIPLSHPPVVHW-UHFFFAOYSA-N -1 0 335.400 3.903 20 0 EHADRM CC(F)(F)c1ccc(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1 ZINC001190517917 1134710419 /nfs/dbraw/zinc/71/04/19/1134710419.db2.gz ZFHSJBSHWMXFSW-UHFFFAOYSA-N -1 0 343.333 3.942 20 0 EHADRM COc1nc(C)ccc1C(=O)Nc1ccc2[n-]c(=S)sc2c1 ZINC001190808586 1134747959 /nfs/dbraw/zinc/74/79/59/1134747959.db2.gz CJQOAGONGVCUFS-UHFFFAOYSA-N -1 0 331.422 3.549 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2nc3ccccc3n2C)cc1 ZINC001191225482 1134829770 /nfs/dbraw/zinc/82/97/70/1134829770.db2.gz YVQBACZZLMBXGH-UHFFFAOYSA-N -1 0 343.452 3.717 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2ccnc(Cl)c2O)cc1 ZINC001191233033 1134832010 /nfs/dbraw/zinc/83/20/10/1134832010.db2.gz NOWZULCSDLIZOR-UHFFFAOYSA-N -1 0 340.832 3.584 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cc(C3CCC3)nn2C)cc1 ZINC001191233402 1134832069 /nfs/dbraw/zinc/83/20/69/1134832069.db2.gz UZDCBOUKEVPRJF-UHFFFAOYSA-N -1 0 347.484 3.831 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2ccnc(C(C)(C)C)n2)cc1 ZINC001191232492 1134832239 /nfs/dbraw/zinc/83/22/39/1134832239.db2.gz HCNJOCHBGLOQRP-UHFFFAOYSA-N -1 0 347.484 3.918 20 0 EHADRM Cc1cnc(C)c([N-]S(=O)(=O)c2ccc(Cl)c(C)c2Cl)n1 ZINC001191722991 1134905035 /nfs/dbraw/zinc/90/50/35/1134905035.db2.gz TVDQPQUOGSMFGI-UHFFFAOYSA-N -1 0 346.239 3.509 20 0 EHADRM [O-]c1c(Cl)cc(Cl)cc1/C=N/C[C@@H]1COc2ccccc2O1 ZINC000005289923 1134920130 /nfs/dbraw/zinc/92/01/30/1134920130.db2.gz SRTPRZXBESNLPZ-WOVPGWDMSA-N -1 0 338.190 3.958 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(C)cc(OC)c1 ZINC001191820979 1134930405 /nfs/dbraw/zinc/93/04/05/1134930405.db2.gz BBIPMFFMKDMKRJ-UHFFFAOYSA-N -1 0 335.425 3.512 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1c(C)cc(OC)cc1C ZINC001191829182 1134932675 /nfs/dbraw/zinc/93/26/75/1134932675.db2.gz VJEDJDXVMJAEOK-UHFFFAOYSA-N -1 0 349.452 3.820 20 0 EHADRM CC(C)Cc1cc([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)on1 ZINC001191866708 1134937436 /nfs/dbraw/zinc/93/74/36/1134937436.db2.gz LLVXIGWWFAYCEM-UHFFFAOYSA-N -1 0 346.811 3.608 20 0 EHADRM CC(=O)c1ccccc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1F ZINC001191897578 1134940907 /nfs/dbraw/zinc/94/09/07/1134940907.db2.gz CUKMNMSHQLNMBQ-UHFFFAOYSA-N -1 0 341.791 3.624 20 0 EHADRM COc1ccc2cc(S(=O)(=O)[N-]c3ccc(Cl)nc3)ccc2c1 ZINC001191936739 1134944417 /nfs/dbraw/zinc/94/44/17/1134944417.db2.gz LPUVELRTECHKJS-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM O=S(=O)([N-]c1cc2ccccc2cc1O)C(Cl)(Cl)Cl ZINC001192035313 1134959320 /nfs/dbraw/zinc/95/93/20/1134959320.db2.gz PRUUKXJATFGCAI-UHFFFAOYSA-N -1 0 340.615 3.615 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc3ccccc3nc2C)cnc1Cl ZINC001192528961 1135031685 /nfs/dbraw/zinc/03/16/85/1135031685.db2.gz CIHYSWRDZKEZCR-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM O=C(Nc1cncc(-c2ccccc2)c1)c1c(F)ccc(F)c1[O-] ZINC001192694101 1135045765 /nfs/dbraw/zinc/04/57/65/1135045765.db2.gz AIHYDETVPQWAPC-UHFFFAOYSA-N -1 0 326.302 3.985 20 0 EHADRM CCC[C@@H](C(=O)c1ccccc1)N(C)C(=O)c1c(F)ccc(F)c1[O-] ZINC001192705673 1135048894 /nfs/dbraw/zinc/04/88/94/1135048894.db2.gz CWFDHHYCYLRZOX-HNNXBMFYSA-N -1 0 347.361 3.794 20 0 EHADRM O=C(Nc1cc(F)cc(Br)c1)c1c(F)ccc(F)c1[O-] ZINC001192707170 1135049991 /nfs/dbraw/zinc/04/99/91/1135049991.db2.gz RVGPVRVZMQQNGT-UHFFFAOYSA-N -1 0 346.102 3.824 20 0 EHADRM Cc1cccc(NC(=O)c2ccc(F)c(F)c2[O-])c1Br ZINC001192810009 1135056892 /nfs/dbraw/zinc/05/68/92/1135056892.db2.gz CDVRCGVYEXIUPT-UHFFFAOYSA-N -1 0 342.139 3.994 20 0 EHADRM O=C(Nc1ccncc1Oc1ccccc1)c1cc(F)c([O-])cc1F ZINC001192852609 1135065709 /nfs/dbraw/zinc/06/57/09/1135065709.db2.gz HPHNPHBRYBYIHD-UHFFFAOYSA-N -1 0 342.301 3.532 20 0 EHADRM COc1cc(C)c(NC(=O)c2cc(Cl)nc(Cl)c2[O-])cc1C ZINC001193094021 1135105374 /nfs/dbraw/zinc/10/53/74/1135105374.db2.gz QVSLBONUAYNNLM-UHFFFAOYSA-N -1 0 341.194 3.972 20 0 EHADRM CN(CCCc1ccccc1)C(=O)c1cc(Cl)nc(Cl)c1[O-] ZINC001193092484 1135106133 /nfs/dbraw/zinc/10/61/33/1135106133.db2.gz VGLKVVYEIPOGAC-UHFFFAOYSA-N -1 0 339.222 3.799 20 0 EHADRM O=C(Nc1cc(F)cc(Br)c1)c1ccc(F)c([O-])c1F ZINC001193785266 1135180404 /nfs/dbraw/zinc/18/04/04/1135180404.db2.gz YIACEKHZAIURKX-UHFFFAOYSA-N -1 0 346.102 3.824 20 0 EHADRM CC1(C)CC(=O)Nc2c(NC(=O)c3ccc(F)c([O-])c3F)cccc21 ZINC001193789468 1135180885 /nfs/dbraw/zinc/18/08/85/1135180885.db2.gz QQQVKBRNNXVZRU-UHFFFAOYSA-N -1 0 346.333 3.543 20 0 EHADRM CCCCCOC(=O)Nc1ccc2c(cccc2S(=O)(=O)[O-])c1 ZINC001193769454 1135184538 /nfs/dbraw/zinc/18/45/38/1135184538.db2.gz KFIVZXPCHLQBFO-UHFFFAOYSA-N -1 0 337.397 3.825 20 0 EHADRM CCc1cc2c(cc1CC)CC(NC(=O)c1ccc(F)c([O-])c1F)C2 ZINC001193800599 1135186419 /nfs/dbraw/zinc/18/64/19/1135186419.db2.gz MWSIZAGCJOYAHC-UHFFFAOYSA-N -1 0 345.389 3.692 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(F)nc(F)c2)c2ccccc12 ZINC001193834206 1135190732 /nfs/dbraw/zinc/19/07/32/1135190732.db2.gz WKZCIPYHYSKAEI-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM O=S(=O)([N-]c1cccc(C2CC2)c1)c1ccc(C(F)(F)F)cn1 ZINC001194303797 1135254394 /nfs/dbraw/zinc/25/43/94/1135254394.db2.gz KEKUIQJXACVVFQ-UHFFFAOYSA-N -1 0 342.342 3.779 20 0 EHADRM COc1cccnc1[N-]S(=O)(=O)c1cccc2c(Cl)cccc21 ZINC001194411333 1135266043 /nfs/dbraw/zinc/26/60/43/1135266043.db2.gz MWMLZVULGZZACY-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)sc2c1)c1c[nH]c(C(F)(F)F)n1 ZINC001194780982 1135313953 /nfs/dbraw/zinc/31/39/53/1135313953.db2.gz AHXCZTLBANPFKH-UHFFFAOYSA-N -1 0 344.343 3.579 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2ncccc2C2CC2)c(C)c1C ZINC001194844204 1135336225 /nfs/dbraw/zinc/33/62/25/1135336225.db2.gz XOODXDCGMYVNDH-UHFFFAOYSA-N -1 0 346.452 3.694 20 0 EHADRM CCCCc1ccc([N-]S(=O)(=O)c2cccc3nccnc32)cc1 ZINC001194981066 1135350179 /nfs/dbraw/zinc/35/01/79/1135350179.db2.gz NEQKMYPRJWIKLC-UHFFFAOYSA-N -1 0 341.436 3.773 20 0 EHADRM Cc1cccc2sc([N-]S(=O)(=O)CC[Si](C)(C)C)nc21 ZINC001195038082 1135356752 /nfs/dbraw/zinc/35/67/52/1135356752.db2.gz RNWSHORICKFXSC-UHFFFAOYSA-N -1 0 328.535 3.685 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cn(CC3CCC3)cn2)c1 ZINC001195120087 1135372787 /nfs/dbraw/zinc/37/27/87/1135372787.db2.gz ADUFKKIYTMSREB-UHFFFAOYSA-N -1 0 333.457 3.607 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc3ccc(=O)[nH]c32)c1 ZINC001195168957 1135386443 /nfs/dbraw/zinc/38/64/43/1135386443.db2.gz CYDSRPLSRGXAJT-UHFFFAOYSA-N -1 0 342.420 3.865 20 0 EHADRM COc1ccccc1OC(=O)N=c1s[n-]nc1-c1ccccc1 ZINC001195234206 1135389506 /nfs/dbraw/zinc/38/95/06/1135389506.db2.gz GAAIIGIMDJNEIQ-UHFFFAOYSA-N -1 0 327.365 3.825 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc2c(c1)CCCC2=O ZINC001195317067 1135413435 /nfs/dbraw/zinc/41/34/35/1135413435.db2.gz MUPQSCKYXGEIPA-UHFFFAOYSA-N -1 0 349.839 3.968 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc2ccn(C)c2c1 ZINC001195317274 1135413663 /nfs/dbraw/zinc/41/36/63/1135413663.db2.gz RUIIJHIWCOODJN-UHFFFAOYSA-N -1 0 334.828 3.941 20 0 EHADRM O=C(Nc1cccc(Cn2cccn2)c1)c1cccc(Cl)c1[O-] ZINC000775655331 1135419769 /nfs/dbraw/zinc/41/97/69/1135419769.db2.gz DVXMQLIBVDMLEI-UHFFFAOYSA-N -1 0 327.771 3.543 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)nc(C(F)(F)F)c1)c1cccs1 ZINC001250874952 1135474489 /nfs/dbraw/zinc/47/44/89/1135474489.db2.gz QUDKVDZSTVXCAH-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc3cncc(F)c32)c(F)c1 ZINC001196386988 1135553747 /nfs/dbraw/zinc/55/37/47/1135553747.db2.gz HMXKXCFOSPBASM-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM O=C(c1cc(Cl)ncc1[O-])N1CCC[C@@H]1c1cc2ccccc2[nH]1 ZINC001196396570 1135555498 /nfs/dbraw/zinc/55/54/98/1135555498.db2.gz VISRVGZHLVMZAD-OAHLLOKOSA-N -1 0 341.798 3.899 20 0 EHADRM COc1cccnc1[N-]S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC001196414792 1135560756 /nfs/dbraw/zinc/56/07/56/1135560756.db2.gz UBCALCCOMRXKPN-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)C(=O)[N-]OC1CCCCC1)C(C)(C)C ZINC000807678158 1135561492 /nfs/dbraw/zinc/56/14/92/1135561492.db2.gz GWZBNFDOLDURRC-KRWDZBQOSA-N -1 0 346.471 3.579 20 0 EHADRM O=C(Nc1ccc(Cn2ccnc2)cc1)c1cc(Cl)c(F)cc1[O-] ZINC001196466171 1135563983 /nfs/dbraw/zinc/56/39/83/1135563983.db2.gz FRZOFEJKKBBZEK-UHFFFAOYSA-N -1 0 345.761 3.682 20 0 EHADRM C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1n[n-]c2ccccc2c1=O ZINC000807885103 1135582996 /nfs/dbraw/zinc/58/29/96/1135582996.db2.gz DIPMBNJHUGLMJC-STQMWFEESA-N -1 0 327.428 3.622 20 0 EHADRM CCc1ccc(S(=O)(=O)C=C([O-])c2ccc(OC(C)C)cc2)cc1 ZINC000808052679 1135615005 /nfs/dbraw/zinc/61/50/05/1135615005.db2.gz XJEYEAZWRKUESD-UHFFFAOYSA-N -1 0 346.448 3.693 20 0 EHADRM CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000808106852 1135618744 /nfs/dbraw/zinc/61/87/44/1135618744.db2.gz BFWDJTNSMGFLRQ-UHFFFAOYSA-N -1 0 343.326 3.767 20 0 EHADRM CC(C)n1c(CNC(=O)c2cccc(Cl)c2[O-])nc2ccccc21 ZINC000775749815 1135634409 /nfs/dbraw/zinc/63/44/09/1135634409.db2.gz MXEBTJXURDJHAN-UHFFFAOYSA-N -1 0 343.814 3.906 20 0 EHADRM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1ccccc1C(C)C ZINC001196991482 1135637827 /nfs/dbraw/zinc/63/78/27/1135637827.db2.gz PLQUUOZBDYDKQL-UHFFFAOYSA-N -1 0 347.436 3.706 20 0 EHADRM COc1ccc(NC(=S)Nc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC001197112659 1135650659 /nfs/dbraw/zinc/65/06/59/1135650659.db2.gz VVNIQDHLJYOKDO-UHFFFAOYSA-N -1 0 336.800 3.856 20 0 EHADRM Cc1cccnc1[C@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)C1CC1 ZINC001197127336 1135652853 /nfs/dbraw/zinc/65/28/53/1135652853.db2.gz RJCYZBWESBCCMH-MRXNPFEDSA-N -1 0 341.436 3.526 20 0 EHADRM C[C@@H](OC(=O)c1ccc([O-])c(Cl)c1)C(=O)C1(c2ccccc2)CC1 ZINC000808487211 1135678630 /nfs/dbraw/zinc/67/86/30/1135678630.db2.gz DYSHDVRRPDUBDY-GFCCVEGCSA-N -1 0 344.794 3.892 20 0 EHADRM CC/C=C/NC(=O)c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC001197391168 1135683164 /nfs/dbraw/zinc/68/31/64/1135683164.db2.gz TZPFGDMJTHMHAQ-FPYGCLRLSA-N -1 0 341.251 3.652 20 0 EHADRM COCCc1nc2cc(NC(=O)c3cccc(Cl)c3[O-])ccc2o1 ZINC000775771582 1135683383 /nfs/dbraw/zinc/68/33/83/1135683383.db2.gz QHTHHUXMOFMNJH-UHFFFAOYSA-N -1 0 346.770 3.628 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCC[C@H](Nc2ccccc2)C1 ZINC000775779514 1135712459 /nfs/dbraw/zinc/71/24/59/1135712459.db2.gz ADZDCOKVSQQCSC-AWEZNQCLSA-N -1 0 330.815 3.762 20 0 EHADRM COc1cccc2c(C(=O)OCc3cc(-c4ccccc4)on3)n[nH]c21 ZINC000808677125 1135715032 /nfs/dbraw/zinc/71/50/32/1135715032.db2.gz YUJFTYAAAHQYIE-UHFFFAOYSA-N -1 0 349.346 3.584 20 0 EHADRM Cc1c(NC(=O)c2cccc(Cl)c2[O-])cnn1-c1ccccc1 ZINC000775783659 1135725839 /nfs/dbraw/zinc/72/58/39/1135725839.db2.gz YMFLRXQILFWDQZ-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM CC(C)[C@@H](C)N(CC(=O)[N-]OCc1ccccc1)c1ccccc1 ZINC001197719287 1135726277 /nfs/dbraw/zinc/72/62/77/1135726277.db2.gz HGJDJCZSJSXXOM-QGZVFWFLSA-N -1 0 326.440 3.786 20 0 EHADRM O=C(N[C@@H](c1ccccc1)[C@H]1CCOC1)c1cccc(Cl)c1[O-] ZINC000775815863 1135770915 /nfs/dbraw/zinc/77/09/15/1135770915.db2.gz SPXWMOTXCSHUSK-BBRMVZONSA-N -1 0 331.799 3.553 20 0 EHADRM O=S(=O)(N[C@H](CC1CC1)c1ccccc1)c1cccc(Cl)n1 ZINC001198260529 1135787687 /nfs/dbraw/zinc/78/76/87/1135787687.db2.gz ZVCJODRXVWZCFJ-CQSZACIVSA-N -1 0 336.844 3.555 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cccc(Cl)n2)c(F)cc1Cl ZINC001198233721 1135789995 /nfs/dbraw/zinc/78/99/95/1135789995.db2.gz RSMWHEPKVUQCMU-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM O=C([O-])c1c(F)cc(Nc2cccnc2N2CCCCC2)cc1F ZINC001203315913 1135808008 /nfs/dbraw/zinc/80/80/08/1135808008.db2.gz FUYYJCUBWMHYCB-UHFFFAOYSA-N -1 0 333.338 3.792 20 0 EHADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)c1nc(CC2CCCCC2)no1 ZINC000809351370 1135823870 /nfs/dbraw/zinc/82/38/70/1135823870.db2.gz VAUINWHFGRSXBH-LBPRGKRZSA-N -1 0 333.354 3.568 20 0 EHADRM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1cc2cccccc-2c1 ZINC001198660722 1135844997 /nfs/dbraw/zinc/84/49/97/1135844997.db2.gz LMIBJWRVHOXDCT-UHFFFAOYSA-N -1 0 348.811 3.649 20 0 EHADRM O=S(=O)([N-]c1cnc2ccc(F)cc2c1)c1ccc2occc2c1 ZINC001198827510 1135857061 /nfs/dbraw/zinc/85/70/61/1135857061.db2.gz WLKKEMHVKCIJQM-UHFFFAOYSA-N -1 0 342.351 3.921 20 0 EHADRM O=S(=O)([N-]c1ccc(C(F)(F)F)cn1)c1ccc2occc2c1 ZINC001198821351 1135859292 /nfs/dbraw/zinc/85/92/92/1135859292.db2.gz WRJWTMPFOFYQLX-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)ns2)c(C)c1 ZINC001198911976 1135866640 /nfs/dbraw/zinc/86/66/40/1135866640.db2.gz OTWYKQLDMFFOOS-UHFFFAOYSA-N -1 0 340.470 3.558 20 0 EHADRM C[C@@H](C(=O)Nc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1)C(C)(C)C ZINC001132106728 1135930911 /nfs/dbraw/zinc/93/09/11/1135930911.db2.gz DUHWYBZQUJZXNZ-VIFPVBQESA-N -1 0 348.340 3.625 20 0 EHADRM COC(=O)c1ccc(Cl)c(C(=O)Nc2cccc(Cl)c2[O-])c1 ZINC000810391788 1135959519 /nfs/dbraw/zinc/95/95/19/1135959519.db2.gz IDNZFGOOWMNWBZ-UHFFFAOYSA-N -1 0 340.162 3.738 20 0 EHADRM COc1ccc(NC(=S)Nc2cccc(Cl)c2[O-])cc1OC ZINC001201063497 1135978427 /nfs/dbraw/zinc/97/84/27/1135978427.db2.gz PGAOLTCRGVTXRT-UHFFFAOYSA-N -1 0 338.816 3.872 20 0 EHADRM O=S(=O)([N-][C@H]1CCC(F)(F)C1)c1cc(Cl)c(Cl)cc1F ZINC001201244073 1135998744 /nfs/dbraw/zinc/99/87/44/1135998744.db2.gz GMUJKMSSGOJNBA-LURJTMIESA-N -1 0 348.173 3.599 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)cn1 ZINC001201252101 1135999154 /nfs/dbraw/zinc/99/91/54/1135999154.db2.gz RVERVBYIZBWMTQ-UHFFFAOYSA-N -1 0 349.214 3.891 20 0 EHADRM O=C(Nc1ccnn1-c1ccc(F)cc1)c1cccc(Cl)c1[O-] ZINC001132475922 1136010648 /nfs/dbraw/zinc/01/06/48/1136010648.db2.gz DJRTVLINPZNOPT-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM Cc1ccccc1Oc1cccc(S(=O)(=O)[N-]c2ccno2)c1 ZINC001201567972 1136041894 /nfs/dbraw/zinc/04/18/94/1136041894.db2.gz BDRZNWSFNIRXAG-UHFFFAOYSA-N -1 0 330.365 3.576 20 0 EHADRM Cc1ccccc1Oc1cccc(S(=O)(=O)[N-]c2cnoc2)c1 ZINC001201569342 1136042092 /nfs/dbraw/zinc/04/20/92/1136042092.db2.gz XFEFEPFWYJTNBP-UHFFFAOYSA-N -1 0 330.365 3.576 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N[C@H](c2cccs2)C2CC2)c1 ZINC000811813883 1136144416 /nfs/dbraw/zinc/14/44/16/1136144416.db2.gz KSQFIQBNXDGFCT-AWEZNQCLSA-N -1 0 335.812 3.981 20 0 EHADRM C[C@@H](CNC(=O)c1cc(C(=O)[O-])ccc1Cl)Cc1cccs1 ZINC000811822723 1136145409 /nfs/dbraw/zinc/14/54/09/1136145409.db2.gz KIUKTEPSPIOMBI-SNVBAGLBSA-N -1 0 337.828 3.708 20 0 EHADRM COc1cc(F)c(NC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1F ZINC000811821644 1136145450 /nfs/dbraw/zinc/14/54/50/1136145450.db2.gz LTOKRLOORUAAGO-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM CCOC(=O)/C(=C\c1cccc(C(=O)[O-])c1Cl)c1ccnc(F)c1 ZINC000812246833 1136188959 /nfs/dbraw/zinc/18/89/59/1136188959.db2.gz AZJQWDYWNPKWMX-JYRVWZFOSA-N -1 0 349.745 3.676 20 0 EHADRM CCOC(=O)/C(=C/c1cc(C(=O)[O-])c(C)cc1C)c1ccnc(F)c1 ZINC000812246987 1136189381 /nfs/dbraw/zinc/18/93/81/1136189381.db2.gz CCBYGKYXFPGSBZ-CXUHLZMHSA-N -1 0 343.354 3.639 20 0 EHADRM O=C(N[C@H]1CCCCC12CCCC2)c1n[n-]c2ccccc2c1=O ZINC000812724635 1136237749 /nfs/dbraw/zinc/23/77/49/1136237749.db2.gz INHVHJAZGNQWNV-HNNXBMFYSA-N -1 0 325.412 3.568 20 0 EHADRM C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)[N-]OC1CCC1 ZINC000812792422 1136248028 /nfs/dbraw/zinc/24/80/28/1136248028.db2.gz ZLPKNLMOWOCUHH-JTQLQIEISA-N -1 0 336.844 3.969 20 0 EHADRM CON(Cc1ccc(Cl)cc1)C(=O)c1cccc(Cl)c1[O-] ZINC000812798980 1136253280 /nfs/dbraw/zinc/25/32/80/1136253280.db2.gz AZLDYACSHXWVAV-UHFFFAOYSA-N -1 0 326.179 3.903 20 0 EHADRM O=C(O[C@@H]1C[C@@H]([N-]C(=O)C(F)(F)F)c2ccccc21)C1CCCC1 ZINC000851175055 1136346180 /nfs/dbraw/zinc/34/61/80/1136346180.db2.gz DFELLLJTTSQDEH-ZIAGYGMSSA-N -1 0 341.329 3.584 20 0 EHADRM CCC(CC)[C@H](C)C(=O)[N-]S(=O)(=O)[C@@H](CC)c1ccccc1 ZINC000814018114 1136387021 /nfs/dbraw/zinc/38/70/21/1136387021.db2.gz JJXJGIBCRNPCKM-BBRMVZONSA-N -1 0 325.474 3.656 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C1CC2(CC2(F)F)C1 ZINC000851594566 1136395190 /nfs/dbraw/zinc/39/51/90/1136395190.db2.gz APESKWOAOBXITF-UHFFFAOYSA-N -1 0 339.338 3.546 20 0 EHADRM CC(C)n1cc2cc(NC(=O)C3(C(=O)[O-])CC4(CCC4)C3)ccc2n1 ZINC000851595299 1136395319 /nfs/dbraw/zinc/39/53/19/1136395319.db2.gz OCQVWIVFRKKPCU-UHFFFAOYSA-N -1 0 341.411 3.591 20 0 EHADRM CCC[C@H](CCc1ccccc1)NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851595504 1136395547 /nfs/dbraw/zinc/39/55/47/1136395547.db2.gz OFTOYVSDXHHPQK-WCRPCQDQSA-N -1 0 341.407 3.909 20 0 EHADRM Cc1cccc(C)c1[C@@H]1CCCN1C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851608816 1136395974 /nfs/dbraw/zinc/39/59/74/1136395974.db2.gz FDMOFKQWEPARJR-SLWQEBJJSA-N -1 0 339.391 3.972 20 0 EHADRM CC1(C)CCC(=CC(=O)N2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)CC1 ZINC000851614029 1136396039 /nfs/dbraw/zinc/39/60/39/1136396039.db2.gz KFKSRWULQBKIIR-OLZOCXBDSA-N -1 0 347.377 3.625 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N2CCC(c3ccco3)CC2)c1 ZINC000851613709 1136396083 /nfs/dbraw/zinc/39/60/83/1136396083.db2.gz GJXCSKDGWTXASB-UHFFFAOYSA-N -1 0 333.771 3.651 20 0 EHADRM C/C(=C\C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21)c1cccc(F)c1 ZINC000851619241 1136396271 /nfs/dbraw/zinc/39/62/71/1136396271.db2.gz RZZWFYRIPXDXKP-LBQCVDGOSA-N -1 0 345.414 3.721 20 0 EHADRM CCN(C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)[C@@H](C)C(=O)[O-] ZINC000851696864 1136399878 /nfs/dbraw/zinc/39/98/78/1136399878.db2.gz YNEWBCCPQUVKFA-RILYUOAZSA-N -1 0 349.736 3.607 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3cn[nH]c3)c2)s1 ZINC000814211547 1136422243 /nfs/dbraw/zinc/42/22/43/1136422243.db2.gz IYAQXVHZQBFLPV-UHFFFAOYSA-N -1 0 333.438 3.556 20 0 EHADRM C/C(=C\C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1F)C(C)(C)C ZINC000776655583 1136525904 /nfs/dbraw/zinc/52/59/04/1136525904.db2.gz XQKPTOLEIFEKSD-DNGMOHDESA-N -1 0 325.355 3.589 20 0 EHADRM CCCCS[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000776656622 1136526761 /nfs/dbraw/zinc/52/67/61/1136526761.db2.gz FFYPFDBNXHYOIJ-HZMBPMFUSA-N -1 0 345.411 3.519 20 0 EHADRM CC(C)(C)OC(=O)N(CC(=O)[N-]Oc1ccccc1)c1ccccc1 ZINC000854536996 1136625087 /nfs/dbraw/zinc/62/50/87/1136625087.db2.gz MCEVTLVNAVHOHU-UHFFFAOYSA-N -1 0 342.395 3.538 20 0 EHADRM CC[C@H](C)CO[N-]C(=O)C(=O)Nc1cc(-c2ccc(C)o2)ccc1C ZINC000815713961 1136632252 /nfs/dbraw/zinc/63/22/52/1136632252.db2.gz IVOYKVUIRUKUQG-LBPRGKRZSA-N -1 0 344.411 3.596 20 0 EHADRM CCc1ccc(N(CC2CC2)C(=O)c2ccc3oc(=O)nc-3[n-]2)cc1 ZINC000854822837 1136645586 /nfs/dbraw/zinc/64/55/86/1136645586.db2.gz VZNZAYIKXZXLOW-UHFFFAOYSA-N -1 0 337.379 3.548 20 0 EHADRM CC(C)(C)CS(=O)(=O)[N-]C(=O)c1sccc1-c1ccccc1 ZINC000112762815 1136651932 /nfs/dbraw/zinc/65/19/32/1136651932.db2.gz RXHSCWQVOAIYBV-UHFFFAOYSA-N -1 0 337.466 3.521 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)/C(F)=C/C2CCCCC2)sc1C ZINC000816004062 1136658372 /nfs/dbraw/zinc/65/83/72/1136658372.db2.gz OPNOGYNXFDVCJY-LCYFTJDESA-N -1 0 345.461 3.604 20 0 EHADRM O=C(NO[C@H]1CCCCO1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000748042379 1136667746 /nfs/dbraw/zinc/66/77/46/1136667746.db2.gz RAKJVENUVOKNLP-INIZCTEOSA-N -1 0 347.798 3.901 20 0 EHADRM C/C(=C\C(=O)[N-]S(=O)(=O)[C@H](c1ccccc1)C(C)C)C(C)(C)C ZINC000816110564 1136677635 /nfs/dbraw/zinc/67/76/35/1136677635.db2.gz CJZGVTSHYZHFJS-VSOYFRJCSA-N -1 0 337.485 3.822 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)N3CCc4ccccc4C3)c([O-])c2)o1 ZINC001135440913 1136689797 /nfs/dbraw/zinc/68/97/97/1136689797.db2.gz KXBDBSQGGLKQTM-UHFFFAOYSA-N -1 0 347.370 3.663 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000113696750 1136734478 /nfs/dbraw/zinc/73/44/78/1136734478.db2.gz RXJRPHFENAGGPF-ZWKOTPCHSA-N -1 0 345.464 3.578 20 0 EHADRM O=C([N-]c1ncn(C2CCCCC2)n1)c1nc(Cl)sc1Cl ZINC000816968732 1136768337 /nfs/dbraw/zinc/76/83/37/1136768337.db2.gz LFBQLPDFOROIHO-UHFFFAOYSA-N -1 0 346.243 3.799 20 0 EHADRM CCO[N-]C(=O)CSc1ncnc2scc(-c3ccccc3)c21 ZINC000011176143 1136800467 /nfs/dbraw/zinc/80/04/67/1136800467.db2.gz YDBYQSIGOIWBSJ-UHFFFAOYSA-N -1 0 345.449 3.518 20 0 EHADRM CCCC[C@@H](C(=O)[N-]S(=O)(=O)c1cccc2cnccc21)C(C)C ZINC000857010906 1136831571 /nfs/dbraw/zinc/83/15/71/1136831571.db2.gz ASPRTYNGSGWIHL-OAHLLOKOSA-N -1 0 348.468 3.502 20 0 EHADRM CC(C)(C)CC(C)(C)NC(=O)c1cnc2c(F)cc(F)cc2c1O ZINC001136137832 1136876646 /nfs/dbraw/zinc/87/66/46/1136876646.db2.gz OEDDJFNIVNLMJD-UHFFFAOYSA-N -1 0 336.382 3.751 20 0 EHADRM C[C@@H]1CCc2nc(C(=O)Nc3cc(Cl)cc(Cl)c3[O-])cn2C1 ZINC000857947420 1136924814 /nfs/dbraw/zinc/92/48/14/1136924814.db2.gz QWVFWTDGYIWHIN-MRVPVSSYSA-N -1 0 340.210 3.730 20 0 EHADRM C[C@@H]1CCC[C@@H](NC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])C1 ZINC001136204400 1136929733 /nfs/dbraw/zinc/92/97/33/1136929733.db2.gz NDBULQLPLBUTHD-DGCLKSJQSA-N -1 0 333.819 3.540 20 0 EHADRM CC1(C)C[C@@H](c2ccccc2)N(C(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC000819749213 1136960555 /nfs/dbraw/zinc/96/05/55/1136960555.db2.gz LXEDQJCQIIVCMX-KRWDZBQOSA-N -1 0 347.418 3.949 20 0 EHADRM CCOC1(C)CCN(C(=O)c2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000820202884 1136980702 /nfs/dbraw/zinc/98/07/02/1136980702.db2.gz HTIQNLTZTKROMP-UHFFFAOYSA-N -1 0 332.227 3.730 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)NC[C@H]2CCC[C@H](C)C2)n1 ZINC001136406298 1137013956 /nfs/dbraw/zinc/01/39/56/1137013956.db2.gz MLXNYVWCXUQENB-GJZGRUSLSA-N -1 0 341.455 3.696 20 0 EHADRM CCC[C@@H](C(=O)OCc1n[n-]c(C)cc1=O)c1cccc(Cl)c1 ZINC000860668462 1137072271 /nfs/dbraw/zinc/07/22/71/1137072271.db2.gz RCOJGOCYGGVKQH-CQSZACIVSA-N -1 0 334.803 3.771 20 0 EHADRM Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000013403484 1137080883 /nfs/dbraw/zinc/08/08/83/1137080883.db2.gz CRIBHNUJSIJFDN-RUDMXATFSA-N -1 0 345.782 3.764 20 0 EHADRM CC[C@@H]1CCN(c2nc(-c3ccc(OC)c4c([O-])coc43)cs2)C1 ZINC000823326340 1137095240 /nfs/dbraw/zinc/09/52/40/1137095240.db2.gz AHRZVEZXEYLVLA-LLVKDONJSA-N -1 0 344.436 3.630 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)c2sccc2SC(F)F)C1 ZINC000823354672 1137095993 /nfs/dbraw/zinc/09/59/93/1137095993.db2.gz XAPZRFVIFPVHCE-AWEZNQCLSA-N -1 0 349.424 3.636 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)NC1(CC(=O)[O-])CCCC1 ZINC000823357882 1137096037 /nfs/dbraw/zinc/09/60/37/1137096037.db2.gz AWILSUHQYMDGSA-UHFFFAOYSA-N -1 0 347.436 3.813 20 0 EHADRM CC(C)n1ncc2cc(NC(=O)c3cc(F)cc(F)c3[O-])ccc21 ZINC001136744701 1137104934 /nfs/dbraw/zinc/10/49/34/1137104934.db2.gz YTYHGOOITOPVCV-UHFFFAOYSA-N -1 0 331.322 3.853 20 0 EHADRM C[C@@H]1CC(F)(F)CCN1C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000824996651 1137159524 /nfs/dbraw/zinc/15/95/24/1137159524.db2.gz ADVDDLFLANNTOU-LLVKDONJSA-N -1 0 349.333 3.725 20 0 EHADRM CCN(C(=O)CC1CCC(C(=O)[O-])CC1)c1ccc2[nH]ccc2c1 ZINC000844155509 1137199975 /nfs/dbraw/zinc/19/99/75/1137199975.db2.gz QDOYJEXELREJNU-UHFFFAOYSA-N -1 0 328.412 3.802 20 0 EHADRM C[C@]1(CCNC(=O)CC2(C(=O)[O-])CCCCCC2)C[C@]1(F)Cl ZINC000844268868 1137207444 /nfs/dbraw/zinc/20/74/44/1137207444.db2.gz SEPYTFYPDLYQMP-GOEBONIOSA-N -1 0 333.831 3.623 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N2CCCC[C@H]2Cc2ccccc2)o1 ZINC000864107416 1137215306 /nfs/dbraw/zinc/21/53/06/1137215306.db2.gz IJWGSTUMLUYRDV-DMIOIOJGSA-N -1 0 339.391 3.615 20 0 EHADRM O=C([O-])c1coc(/C=C\C(=O)N2CCCC[C@H]2Cc2ccccc2)c1 ZINC000864107792 1137215444 /nfs/dbraw/zinc/21/54/44/1137215444.db2.gz YCHVXRAQXBMWID-IBSYWUHOSA-N -1 0 339.391 3.615 20 0 EHADRM O=C([O-])c1coc(/C=C/C(=O)N2CCCC[C@@H]2Cc2ccccc2)c1 ZINC000864107793 1137215505 /nfs/dbraw/zinc/21/55/05/1137215505.db2.gz YCHVXRAQXBMWID-OAGJVSPASA-N -1 0 339.391 3.615 20 0 EHADRM Cc1ccc(C[C@H]2CCCN2C(=O)/C=C\c2cc(C(=O)[O-])co2)cc1 ZINC000864108456 1137215571 /nfs/dbraw/zinc/21/55/71/1137215571.db2.gz ZQABBVUDNFDKMJ-XZVRFQMRSA-N -1 0 339.391 3.533 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)/C=C\c1ccsc1C(F)(F)F ZINC000864118700 1137215987 /nfs/dbraw/zinc/21/59/87/1137215987.db2.gz LKIMVJHRUPPHDR-ZFDPJTLLSA-N -1 0 335.347 3.540 20 0 EHADRM CCCCC[C@@H](NC(=O)CCc1ccc(C(F)F)cc1)C(=O)[O-] ZINC000864127256 1137216477 /nfs/dbraw/zinc/21/64/77/1137216477.db2.gz ZYUJTPDRVFHNHC-CQSZACIVSA-N -1 0 327.371 3.707 20 0 EHADRM CC(C)(CC(=O)NCCc1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000864132336 1137216787 /nfs/dbraw/zinc/21/67/87/1137216787.db2.gz PWZTXVMCZKTAKY-UHFFFAOYSA-N -1 0 343.398 3.551 20 0 EHADRM CC1(C)C[C@@H](NC(=O)/C=C\c2cc(C(=O)[O-])co2)c2ccccc21 ZINC000864143587 1137217136 /nfs/dbraw/zinc/21/71/36/1137217136.db2.gz NJDQXCSIHWULFU-XITLMJRVSA-N -1 0 325.364 3.530 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N[C@@H](C2CCCCC2)C(F)(F)F)o1 ZINC000864156735 1137217432 /nfs/dbraw/zinc/21/74/32/1137217432.db2.gz BHNPOZYDIFRMAQ-LEJCZOIISA-N -1 0 345.317 3.618 20 0 EHADRM CCc1cc2c(CC(=O)N(CC(=O)[O-])C3CCC3)csc2s1 ZINC000864158207 1137217592 /nfs/dbraw/zinc/21/75/92/1137217592.db2.gz FBBQVASDEUCSCC-UHFFFAOYSA-N -1 0 337.466 3.533 20 0 EHADRM O=C([O-])C[C@@H](c1ccccc1)C1CCN(C(=O)C=C2CCC2)CC1 ZINC000864158100 1137217595 /nfs/dbraw/zinc/21/75/95/1137217595.db2.gz ANLUZLKPJYSGKA-SFHVURJKSA-N -1 0 327.424 3.594 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)o1 ZINC000864177047 1137217935 /nfs/dbraw/zinc/21/79/35/1137217935.db2.gz DNYJMVRUYGONSC-NLNHSMHESA-N -1 0 339.391 3.834 20 0 EHADRM CC[C@H](c1ccccc1OC)N(C)C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000864178237 1137218167 /nfs/dbraw/zinc/21/81/67/1137218167.db2.gz ZWNAHKKLLWRWBV-ZBTGYSDGSA-N -1 0 343.379 3.609 20 0 EHADRM CCC[C@@H](C)CC(=O)N1CCC(c2nc(C)c(C(=O)[O-])s2)CC1 ZINC000864224008 1137219015 /nfs/dbraw/zinc/21/90/15/1137219015.db2.gz KXFWTGJAQPVKOJ-LLVKDONJSA-N -1 0 338.473 3.682 20 0 EHADRM O=C([O-])C1CCC(CC(=O)NC[C@@H]2CC=CC[C@H]2C(F)(F)F)CC1 ZINC000864217609 1137219041 /nfs/dbraw/zinc/21/90/41/1137219041.db2.gz ZGUYQTGAAARDPO-CLRIEMFWSA-N -1 0 347.377 3.528 20 0 EHADRM CSc1ccc(C)c(C(=O)N[C@H](CC(=O)[O-])c2cccc(C)c2)c1 ZINC000864227876 1137219248 /nfs/dbraw/zinc/21/92/48/1137219248.db2.gz HKORBQKKZKPSID-QGZVFWFLSA-N -1 0 343.448 3.971 20 0 EHADRM C/C(=C/c1ccc(-c2cccc(CO[C@@H]3CCOC3)c2)o1)C(=O)[O-] ZINC000864608723 1137236454 /nfs/dbraw/zinc/23/64/54/1137236454.db2.gz MGZDXGYFNSTIDY-HOFZKYPUSA-N -1 0 328.364 3.740 20 0 EHADRM O=C([N-]S(=O)(=O)c1csc2ccccc21)[C@@H]1C[C@H]1C1CCCC1 ZINC000845567639 1137298287 /nfs/dbraw/zinc/29/82/87/1137298287.db2.gz YOZJNSGAOHPWJW-UONOGXRCSA-N -1 0 349.477 3.533 20 0 EHADRM Cc1ccccc1[C@@H](O)C(=O)Nc1ccc2[n-]c(=S)sc2c1 ZINC001144532827 1137306155 /nfs/dbraw/zinc/30/61/55/1137306155.db2.gz XLJSHOWVHHEHFW-CQSZACIVSA-N -1 0 330.434 3.566 20 0 EHADRM CCC[C@@H](C(=O)c1ccccc1)N(C)Cc1sccc1C(=O)[O-] ZINC001144685005 1137329768 /nfs/dbraw/zinc/32/97/68/1137329768.db2.gz UBOAWXNDVQDRIS-HNNXBMFYSA-N -1 0 331.437 3.930 20 0 EHADRM O=C([O-])[C@]12CCC[C@@H]1C[N@H+](Cc1csc(-c3cccs3)n1)C2 ZINC000846284805 1137345066 /nfs/dbraw/zinc/34/50/66/1137345066.db2.gz OSFVAVARQUBXKF-BZNIZROVSA-N -1 0 334.466 3.558 20 0 EHADRM O=C([O-])[C@@]12CCC[C@@H]1C[N@H+](Cc1csc(-c3ccsc3)n1)C2 ZINC000846285435 1137345149 /nfs/dbraw/zinc/34/51/49/1137345149.db2.gz SYDXHGNJZNHVLT-MLGOLLRUSA-N -1 0 334.466 3.558 20 0 EHADRM Cc1cccc2c1CC[C@@H]2NC(=O)c1cccc(Br)c1[O-] ZINC001144849352 1137354062 /nfs/dbraw/zinc/35/40/62/1137354062.db2.gz VISFOTYPWBZOBW-HNNXBMFYSA-N -1 0 346.224 3.880 20 0 EHADRM CCCCC[C@H](C(=O)Nc1ccc(OCc2nnn[n-]2)cc1)C(C)C ZINC001147001294 1137398101 /nfs/dbraw/zinc/39/81/01/1137398101.db2.gz ZGPQLZINNKDMBS-INIZCTEOSA-N -1 0 345.447 3.570 20 0 EHADRM Cc1ncnc(C(=O)Nc2cc(Cl)c(C)c(Cl)c2[O-])c1C ZINC001147070023 1137399390 /nfs/dbraw/zinc/39/93/90/1137399390.db2.gz DOFBMLWELYUZDD-UHFFFAOYSA-N -1 0 326.183 3.667 20 0 EHADRM CSc1cc(C)nc(SC)c1[N-]C(=O)c1scnc1C ZINC001147378877 1137405581 /nfs/dbraw/zinc/40/55/81/1137405581.db2.gz UOXJEYPAKZWENI-UHFFFAOYSA-N -1 0 325.484 3.851 20 0 EHADRM CC[C@H](CC(=O)[N-]S(=O)(=O)/C=C/c1ccccc1)c1ccccc1 ZINC000103635216 1137424236 /nfs/dbraw/zinc/42/42/36/1137424236.db2.gz CFKGCDYMSLLROJ-TUQDCPSNSA-N -1 0 343.448 3.687 20 0 EHADRM CC(C)c1nc([C@@H]2CCCCN2C(=O)c2ccc(Cl)c([O-])c2)no1 ZINC001148817675 1137435731 /nfs/dbraw/zinc/43/57/31/1137435731.db2.gz NTHSHAALVBLNFK-ZDUSSCGKSA-N -1 0 349.818 3.919 20 0 EHADRM CCc1oc(C(=O)N[C@H](C)c2ccc(Cl)s2)cc1C(=O)[O-] ZINC000339088496 1137437186 /nfs/dbraw/zinc/43/71/86/1137437186.db2.gz QZSQIGSHMRMZSG-SSDOTTSWSA-N -1 0 327.789 3.746 20 0 EHADRM CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000839892808 1137439351 /nfs/dbraw/zinc/43/93/51/1137439351.db2.gz SVZMKHPFMITGDZ-OLZOCXBDSA-N -1 0 345.468 3.569 20 0 EHADRM CCc1ccc(CCC(=O)Nc2nccc(Br)c2[O-])cc1 ZINC001150025761 1137547093 /nfs/dbraw/zinc/54/70/93/1137547093.db2.gz RHOLSQBWHLQAOH-UHFFFAOYSA-N -1 0 349.228 3.683 20 0 EHADRM Cc1cc(C)cc(CS(=O)(=O)Nc2ccc(C)c(C(=O)[O-])c2C)c1 ZINC000871774451 1137557999 /nfs/dbraw/zinc/55/79/99/1137557999.db2.gz DCWJRVLHTNPWOR-UHFFFAOYSA-N -1 0 347.436 3.560 20 0 EHADRM COc1cc(F)c(CNc2ccc(C)c(C(=O)[O-])c2C)cc1OC ZINC000871884608 1137562479 /nfs/dbraw/zinc/56/24/79/1137562479.db2.gz CNSYQPCYHXDRDH-UHFFFAOYSA-N -1 0 333.359 3.770 20 0 EHADRM Cc1cc(Br)cnc1-n1[n-]c2c(c1=O)CCC(C)(C)C2 ZINC000871959447 1137563760 /nfs/dbraw/zinc/56/37/60/1137563760.db2.gz MACIQKXILYJHOK-LLVKDONJSA-N -1 0 336.233 3.681 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cccc(F)c2C)noc1C(C)(C)C ZINC000872007393 1137564314 /nfs/dbraw/zinc/56/43/14/1137564314.db2.gz PZAZIKMFHIHQLS-UHFFFAOYSA-N -1 0 326.393 3.529 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)CCC3)noc1C(C)(C)C ZINC000872007584 1137564443 /nfs/dbraw/zinc/56/44/43/1137564443.db2.gz TZJHWTYDLSAEID-UHFFFAOYSA-N -1 0 334.441 3.570 20 0 EHADRM O=C([O-])c1csc(CN2CCO[C@@H](c3ccccc3Cl)C2)c1 ZINC000872157945 1137574213 /nfs/dbraw/zinc/57/42/13/1137574213.db2.gz WIYUUAWSZNZMFF-OAHLLOKOSA-N -1 0 337.828 3.673 20 0 EHADRM Cc1ncc(S(=O)(=O)[N-]c2ccc(F)cc2C(C)(F)F)s1 ZINC000872403992 1137579380 /nfs/dbraw/zinc/57/93/80/1137579380.db2.gz GHOUEUJNCWUTDC-UHFFFAOYSA-N -1 0 336.360 3.503 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1ccc(C2CC2)cc1F ZINC000872404941 1137579425 /nfs/dbraw/zinc/57/94/25/1137579425.db2.gz GSFRYSUVGAAEPC-UHFFFAOYSA-N -1 0 327.402 3.574 20 0 EHADRM CC(C)(CCCc1ccccc1)C(=O)NCc1nc(C(=O)[O-])cs1 ZINC000124171968 1137582230 /nfs/dbraw/zinc/58/22/30/1137582230.db2.gz WKDCDFBHSJUBHE-UHFFFAOYSA-N -1 0 346.452 3.507 20 0 EHADRM C[C@H](NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])c1csc2ccccc21 ZINC000872843708 1137585435 /nfs/dbraw/zinc/58/54/35/1137585435.db2.gz OVIUEVMCSKHGBO-DCAQKATOSA-N -1 0 337.466 3.673 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCC[C@H]3C(=O)[O-])cc2)nc1 ZINC000872845165 1137585441 /nfs/dbraw/zinc/58/54/41/1137585441.db2.gz MMIVXQQVNGYOQD-HZPDHXFCSA-N -1 0 340.379 3.622 20 0 EHADRM Cc1ccc(C)c(C(=O)Nc2cc(C)c(O)c(C)c2C)c1C(=O)[O-] ZINC000872857223 1137585678 /nfs/dbraw/zinc/58/56/78/1137585678.db2.gz GRPXRTPCBWPTEW-UHFFFAOYSA-N -1 0 327.380 3.885 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)C3=C(C(=O)[O-])CCCC3)c2)oc1C ZINC000872908863 1137586364 /nfs/dbraw/zinc/58/63/64/1137586364.db2.gz XQBKCXGVANASMW-UHFFFAOYSA-N -1 0 340.379 3.852 20 0 EHADRM CN(Cc1cccc(C(F)(F)F)c1)C(=O)C1=C(C(=O)[O-])CCCC1 ZINC000872916883 1137586588 /nfs/dbraw/zinc/58/65/88/1137586588.db2.gz CMCBRBJIHLLZPY-UHFFFAOYSA-N -1 0 341.329 3.619 20 0 EHADRM Cc1cccc([C@@H]2CCCCN2C(=O)C(C)(C)SCC(=O)[O-])c1C ZINC000872939237 1137586751 /nfs/dbraw/zinc/58/67/51/1137586751.db2.gz ADXBNXRHYGWYAB-INIZCTEOSA-N -1 0 349.496 3.953 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000872943830 1137586797 /nfs/dbraw/zinc/58/67/97/1137586797.db2.gz IJFYNIYYRLQMNT-CYBMUJFWSA-N -1 0 341.860 3.600 20 0 EHADRM C[C@@](CC(=O)N1CCC1(C)C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000872951583 1137586916 /nfs/dbraw/zinc/58/69/16/1137586916.db2.gz MOFSULWRFRIQPQ-INIZCTEOSA-N -1 0 344.238 3.737 20 0 EHADRM Cc1ccc(NC(=O)C(=O)[N-]OCCC2CC2)cc1-c1ccsc1 ZINC000873893790 1137607829 /nfs/dbraw/zinc/60/78/29/1137607829.db2.gz JLWISRUTGPIGKM-UHFFFAOYSA-N -1 0 344.436 3.510 20 0 EHADRM CSCCc1ccc(NC(=O)c2nc[nH]c2C(F)(F)F)cc1 ZINC000825704738 1137608097 /nfs/dbraw/zinc/60/80/97/1137608097.db2.gz XRNHXIYHLIYDHC-UHFFFAOYSA-N -1 0 329.347 3.586 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)Nc3cccc(C(=O)[O-])c3)o2)s1 ZINC000874971648 1137627359 /nfs/dbraw/zinc/62/73/59/1137627359.db2.gz QKFBCZNHJTUNKL-UHFFFAOYSA-N -1 0 341.344 3.771 20 0 EHADRM Cc1nn(Cc2cccc(-c3ccc(C=O)s3)c2)c(C)c1C(=O)[O-] ZINC000874971307 1137627361 /nfs/dbraw/zinc/62/73/61/1137627361.db2.gz ZYMRURLJENIZLI-UHFFFAOYSA-N -1 0 340.404 3.787 20 0 EHADRM Cc1cc([C@H](C)NCc2nnc(-c3ccccc3O)o2)c(C)s1 ZINC000878350906 1137712077 /nfs/dbraw/zinc/71/20/77/1137712077.db2.gz NQCMJZODVLWKGW-NSHDSACASA-N -1 0 329.425 3.971 20 0 EHADRM CC(C)(C(=O)[N-]OCC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000879194539 1137740662 /nfs/dbraw/zinc/74/06/62/1137740662.db2.gz SXULPGNEGMWUCT-UHFFFAOYSA-N -1 0 329.240 3.593 20 0 EHADRM Cc1cccc(C)c1NC(=O)COC(=O)c1cc2ccsc2[nH]1 ZINC000023345587 1137748843 /nfs/dbraw/zinc/74/88/43/1137748843.db2.gz MYNQUUKMWDCXRO-UHFFFAOYSA-N -1 0 328.393 3.642 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]C(=O)[C@H](C)c2cccc(F)c2)c1 ZINC000130018602 1137833403 /nfs/dbraw/zinc/83/34/03/1137833403.db2.gz KXLLBRDFOBYSDA-CYBMUJFWSA-N -1 0 349.427 3.558 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]C(=O)C(C)(C)c2ccccc2)c1 ZINC000130121048 1137834491 /nfs/dbraw/zinc/83/44/91/1137834491.db2.gz ACNWPXYOEOCIPO-UHFFFAOYSA-N -1 0 345.464 3.593 20 0 EHADRM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1 ZINC000130374769 1137836650 /nfs/dbraw/zinc/83/66/50/1137836650.db2.gz XBIKCFBOBBCRFS-UHFFFAOYSA-N -1 0 337.828 3.960 20 0 EHADRM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000130384474 1137836765 /nfs/dbraw/zinc/83/67/65/1137836765.db2.gz HISMWFLRCSRAMX-UHFFFAOYSA-N -1 0 344.219 3.997 20 0 EHADRM COc1ccc(F)cc1[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000132726611 1137868837 /nfs/dbraw/zinc/86/88/37/1137868837.db2.gz JSYQITRNPQUHMG-UHFFFAOYSA-N -1 0 333.384 3.563 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N(C)[C@H]2CCCc3ccccc32)cc1 ZINC000107943658 1137888222 /nfs/dbraw/zinc/88/82/22/1137888222.db2.gz WFMZXNJGYYGHNL-YADARESESA-N -1 0 341.476 3.639 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1 ZINC000107946131 1137888243 /nfs/dbraw/zinc/88/82/43/1137888243.db2.gz KTMYBKNVVZXYCR-QMHKHESXSA-N -1 0 329.465 3.597 20 0 EHADRM CC(C(=O)N(C(C)C)C(C)C)=S([O-])c1ccc2ccccc2c1 ZINC000108007834 1137888495 /nfs/dbraw/zinc/88/84/95/1137888495.db2.gz FAUNMXSSEYDLRN-IQMFZBJNSA-N -1 0 331.481 3.981 20 0 EHADRM Cc1ccccc1S([O-])=CC(=O)N(Cc1ccccc1)C(C)C ZINC000108090519 1137888638 /nfs/dbraw/zinc/88/86/38/1137888638.db2.gz JQJNNOPSAJVRGZ-HSZRJFAPSA-N -1 0 329.465 3.540 20 0 EHADRM CC(C)(C)c1csc([N-]S(=O)(=O)/C=C/c2ccccc2F)n1 ZINC000800027049 1137894805 /nfs/dbraw/zinc/89/48/05/1137894805.db2.gz HWVBHASNIUOIHN-CMDGGOBGSA-N -1 0 340.445 3.992 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)/C=C\c2ccccc2F)n1 ZINC000800042269 1137895463 /nfs/dbraw/zinc/89/54/63/1137895463.db2.gz VMFQVEBFQSYKOH-HJWRWDBZSA-N -1 0 326.418 3.647 20 0 EHADRM CC[C@H](C)[C@@H]([N-]S(=O)(=O)/C=C\c1ccccc1F)C(F)(F)F ZINC000800045596 1137895573 /nfs/dbraw/zinc/89/55/73/1137895573.db2.gz PIOBGICKSINLEF-ZNYBCTCQSA-N -1 0 339.354 3.693 20 0 EHADRM CC[C@H](C)[C@H]([N-]S(=O)(=O)/C=C\c1ccccc1F)C(F)(F)F ZINC000800045594 1137895583 /nfs/dbraw/zinc/89/55/83/1137895583.db2.gz PIOBGICKSINLEF-HILGPIJQSA-N -1 0 339.354 3.693 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)N=c2[n-]nc(CC(C)C)s2)c(C)s1 ZINC000348288773 1137902467 /nfs/dbraw/zinc/90/24/67/1137902467.db2.gz RGRWQJAIVMLZSC-SNVBAGLBSA-N -1 0 338.502 3.720 20 0 EHADRM CCCc1nc(=NC(=O)N2CC[C@H](C)C[C@H]2c2ccco2)s[n-]1 ZINC000331521141 1137911480 /nfs/dbraw/zinc/91/14/80/1137911480.db2.gz CXHRLQICSRDYFC-RYUDHWBXSA-N -1 0 334.445 3.511 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)[nH][n-]2)o1 ZINC000332007836 1137928371 /nfs/dbraw/zinc/92/83/71/1137928371.db2.gz YTUBTISNMJFSNN-WDEREUQCSA-N -1 0 341.333 3.707 20 0 EHADRM Cn1cccc1[C@@H]1CCCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000072831998 1138108147 /nfs/dbraw/zinc/10/81/47/1138108147.db2.gz LQSQGAVVWXJYBX-AWEZNQCLSA-N -1 0 327.409 3.806 20 0 EHADRM C/C=C/C[C@H](NC(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1)C(=O)[O-] ZINC000887382411 1138294069 /nfs/dbraw/zinc/29/40/69/1138294069.db2.gz HGUPQJKKRUNASK-LMZQTDFCSA-N -1 0 348.296 3.800 20 0 EHADRM O=C([O-])CCCCNC(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC000887394362 1138302399 /nfs/dbraw/zinc/30/23/99/1138302399.db2.gz ORWVAXUNLKDYDV-GFCCVEGCSA-N -1 0 336.285 3.636 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)N(CC(=O)[O-])c2ccccc2)o1 ZINC000337699766 1138646530 /nfs/dbraw/zinc/64/65/30/1138646530.db2.gz BANTWZRHEBUXQE-SLBVQIDZSA-N -1 0 339.391 3.624 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2C)s1 ZINC000337864358 1138684786 /nfs/dbraw/zinc/68/47/86/1138684786.db2.gz NPLAGRKLKMCGLD-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@@H](C)c2nc(-c3ccccc3)cs2)s[n-]1 ZINC000337911213 1138696738 /nfs/dbraw/zinc/69/67/38/1138696738.db2.gz IZXNOUAZPBZWHZ-QWRGUYRKSA-N -1 0 346.481 3.964 20 0 EHADRM CC(C)n1cnc(S(=O)(=O)[N-]c2cccc(-c3cccs3)c2)c1 ZINC000338217749 1138791160 /nfs/dbraw/zinc/79/11/60/1138791160.db2.gz ZITRJWGHCULKEI-UHFFFAOYSA-N -1 0 347.465 3.993 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@H](CC)c2ccccc2OCC)s1 ZINC000338247170 1138800440 /nfs/dbraw/zinc/80/04/40/1138800440.db2.gz LIQROZHJPKISCP-CYBMUJFWSA-N -1 0 348.472 3.584 20 0 EHADRM C[C@H]1CC(CCNC(=O)CC2(C(=O)[O-])CCCCCC2)C[C@H](C)O1 ZINC000338408106 1138898176 /nfs/dbraw/zinc/89/81/76/1138898176.db2.gz KVVWNLDYMSGKIU-GJZGRUSLSA-N -1 0 339.476 3.512 20 0 EHADRM O=C(c1cccc(F)c1[O-])N1CCC2(C=Cc3ccccc3O2)CC1 ZINC000826618971 1139189109 /nfs/dbraw/zinc/18/91/09/1139189109.db2.gz NKUAQPWFWUJIMQ-UHFFFAOYSA-N -1 0 339.366 3.612 20 0 EHADRM CC1(C)CC(=O)C(C(=O)Nc2ccc(-c3ccccc3)cc2)=C([O-])C1 ZINC000175827758 1139520903 /nfs/dbraw/zinc/52/09/03/1139520903.db2.gz TWQWCOLLKRBCFO-UHFFFAOYSA-N -1 0 335.403 3.867 20 0 EHADRM O=C(CC[C@@H]1CCOC1)Nc1cc(Cl)cc(Br)c1[O-] ZINC000176253843 1139548381 /nfs/dbraw/zinc/54/83/81/1139548381.db2.gz JPUWPLUWDPCJDA-MRVPVSSYSA-N -1 0 348.624 3.563 20 0 EHADRM CCOc1cc2c(cc1NC(=O)c1cc(F)c([O-])c(F)c1)O[C@@H](C)C2 ZINC000177119258 1139598195 /nfs/dbraw/zinc/59/81/95/1139598195.db2.gz USTVHGSHMOJMFZ-VIFPVBQESA-N -1 0 349.333 3.645 20 0 EHADRM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C1 ZINC000180017046 1139802028 /nfs/dbraw/zinc/80/20/28/1139802028.db2.gz PDYVGDZPNDMVAK-YVSFHVDLSA-N -1 0 329.440 3.590 20 0 EHADRM C[C@H](NC(=O)c1cc(F)c([O-])c(F)c1)c1cccc(N2CCCC2)c1 ZINC000180148580 1139813926 /nfs/dbraw/zinc/81/39/26/1139813926.db2.gz BTSURRCCMJENRS-LBPRGKRZSA-N -1 0 346.377 3.762 20 0 EHADRM Cc1ccsc1[C@H]1C[C@H]1C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000181652941 1139921835 /nfs/dbraw/zinc/92/18/35/1139921835.db2.gz ILWIZISPLROUQI-XHSDSOJGSA-N -1 0 343.448 3.882 20 0 EHADRM CCC(CC)[C@@H]1C[C@H](NC(=O)c2ccc([O-])c(Cl)c2)CCO1 ZINC000183610629 1140050028 /nfs/dbraw/zinc/05/00/28/1140050028.db2.gz SMUIPAFTFBDBEY-CJNGLKHVSA-N -1 0 325.836 3.759 20 0 EHADRM C/C(=C\C(=O)N1CCCC[C@H]1CCC(=O)[O-])c1ccccc1Cl ZINC000777397817 1140056414 /nfs/dbraw/zinc/05/64/14/1140056414.db2.gz JMJCLPRMVAWTJH-FNDVETGQSA-N -1 0 335.831 3.989 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)C(F)(F)F ZINC000184482397 1140104809 /nfs/dbraw/zinc/10/48/09/1140104809.db2.gz IAZHPGBETFBGHD-QMMMGPOBSA-N -1 0 343.267 3.906 20 0 EHADRM Cn1nc(C2CCCCC2)cc1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000186872354 1140226204 /nfs/dbraw/zinc/22/62/04/1140226204.db2.gz GSUIWGKQXSQXEY-UHFFFAOYSA-N -1 0 335.354 3.704 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@@H](C)c2ccc(Cl)s2)cc1C(=O)[O-] ZINC000190889802 1140423508 /nfs/dbraw/zinc/42/35/08/1140423508.db2.gz RFSKOMFNCCRVLK-QMMMGPOBSA-N -1 0 341.816 3.763 20 0 EHADRM CCO[C@@H](C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC000191389710 1140460584 /nfs/dbraw/zinc/46/05/84/1140460584.db2.gz CBCJQOGPXVDGLJ-RDTXWAMCSA-N -1 0 341.407 3.666 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2cnn(C3CCCC3)c2C)c1 ZINC000194227160 1140602737 /nfs/dbraw/zinc/60/27/37/1140602737.db2.gz QUBVASXDCVRIDW-UHFFFAOYSA-N -1 0 333.457 3.670 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@H](c2ccccc2)C2CC2)cc1C ZINC000194493208 1140612097 /nfs/dbraw/zinc/61/20/97/1140612097.db2.gz ADFKQFGJTCDRFD-HYBUGGRVSA-N -1 0 341.476 3.679 20 0 EHADRM COCCC1(CNC(=O)c2cc(F)c([O-])c(Cl)c2)CCCC1 ZINC000194844376 1140623710 /nfs/dbraw/zinc/62/37/10/1140623710.db2.gz VNACWVJUOLISAR-UHFFFAOYSA-N -1 0 329.799 3.511 20 0 EHADRM CC(C)(C)c1ncsc1C(=O)Nc1nnc(-c2ccco2)s1 ZINC000266919541 1140738523 /nfs/dbraw/zinc/73/85/23/1140738523.db2.gz HSPIVTVOMHXFFX-UHFFFAOYSA-N -1 0 334.426 3.804 20 0 EHADRM O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(F)c([O-])c(F)c1 ZINC000267019546 1140750904 /nfs/dbraw/zinc/75/09/04/1140750904.db2.gz AYLLVOGHNGXKFR-UHFFFAOYSA-N -1 0 332.350 3.913 20 0 EHADRM CC(C)c1cc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)no1 ZINC000267097558 1140759202 /nfs/dbraw/zinc/75/92/02/1140759202.db2.gz UZQIDKAEYBZEAE-UHFFFAOYSA-N -1 0 341.241 3.967 20 0 EHADRM COc1ccc(-c2nnc([N-]C(=O)c3cc(C(C)C)no3)s2)cc1 ZINC000270726273 1141262861 /nfs/dbraw/zinc/26/28/61/1141262861.db2.gz PSCFAGRROCJANZ-UHFFFAOYSA-N -1 0 344.396 3.577 20 0 EHADRM CCOc1c(OC)cc(/C=C/c2nc(C(=O)[O-])c(C)s2)cc1OC ZINC000339115382 1141501666 /nfs/dbraw/zinc/50/16/66/1141501666.db2.gz WLNDYLAYEMGIHY-VOTSOKGWSA-N -1 0 349.408 3.736 20 0 EHADRM COC(=O)c1cccc2[nH]c(NC(=O)C3(CC(C)C)CCC3)nc21 ZINC000348561633 1141552171 /nfs/dbraw/zinc/55/21/71/1141552171.db2.gz KQMJOEFZBHGDKW-UHFFFAOYSA-N -1 0 329.400 3.504 20 0 EHADRM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1s[n-]c(=O)c1Cl ZINC000283227097 1141576059 /nfs/dbraw/zinc/57/60/59/1141576059.db2.gz BCUCUIGWPZHTEL-KRTXAFLBSA-N -1 0 340.807 3.695 20 0 EHADRM C[C@H](NC(=O)CC1(CC(=O)[O-])CCCCC1)c1ccc2n[nH]cc2c1 ZINC000349005024 1141620826 /nfs/dbraw/zinc/62/08/26/1141620826.db2.gz MEVARDQINNRMHV-ZDUSSCGKSA-N -1 0 343.427 3.555 20 0 EHADRM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2cccnc2)C1 ZINC000206139800 241042619 /nfs/dbraw/zinc/04/26/19/241042619.db2.gz KXJDONVMJDQPNH-GDNBJRDFSA-N -1 0 345.402 3.704 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)COc2cccc(CC)c2)s1 ZINC000020333297 212120521 /nfs/dbraw/zinc/12/05/21/212120521.db2.gz IDAXFMKHRHFKDR-UHFFFAOYSA-N -1 0 333.409 3.589 20 0 EHADRM O=C([O-])Cc1ccc(OCc2cc(Br)ccc2F)cc1 ZINC000019843632 212075195 /nfs/dbraw/zinc/07/51/95/212075195.db2.gz NCKMTIULPXEPKD-UHFFFAOYSA-N -1 0 339.160 3.794 20 0 EHADRM CSc1ccc(N(C)S(=O)(=O)c2cccc(Cl)c2[O-])cc1 ZINC000436476168 450603072 /nfs/dbraw/zinc/60/30/72/450603072.db2.gz IXVISCDGHKJWGG-UHFFFAOYSA-N -1 0 343.857 3.593 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000187522150 522120020 /nfs/dbraw/zinc/12/00/20/522120020.db2.gz JJFBUCSFSBWIQP-QGZVFWFLSA-N -1 0 347.455 3.715 20 0 EHADRM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2c(F)cccc2Cl)n[nH]1 ZINC000097146193 563968253 /nfs/dbraw/zinc/96/82/53/563968253.db2.gz BSSRDYZKJUEAEW-VIFPVBQESA-N -1 0 345.827 3.907 20 0 EHADRM CCC(CC)(NC(=O)CCCNC(=O)[O-])c1ccc(Cl)cc1 ZINC000736893191 599730517 /nfs/dbraw/zinc/73/05/17/599730517.db2.gz FZODZEPBADXAHF-UHFFFAOYSA-N -1 0 326.824 3.519 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)c1ccccc1Br ZINC000040640662 602022113 /nfs/dbraw/zinc/02/21/13/602022113.db2.gz GQHQLCIZJHSPAY-UHFFFAOYSA-N -1 0 342.233 3.604 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)Nc2ccccc2SC2CCCC2)C1 ZINC000263476515 596907417 /nfs/dbraw/zinc/90/74/17/596907417.db2.gz JLBWKGIVXPQZNP-LBPRGKRZSA-N -1 0 334.441 3.660 20 0 EHADRM C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)CSCC(=O)[O-] ZINC000581270150 597086331 /nfs/dbraw/zinc/08/63/31/597086331.db2.gz JSTZAMLHBZBPKK-CYBMUJFWSA-N -1 0 349.477 3.656 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)CSc2ccc3ccccc3c2)C1 ZINC000532677016 597094237 /nfs/dbraw/zinc/09/42/37/597094237.db2.gz PNDZJXCRAHWOPD-CQSZACIVSA-N -1 0 343.448 3.645 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)Nc2cc(-c3ccccc3)ns2)C1 ZINC000562806499 597120917 /nfs/dbraw/zinc/12/09/17/597120917.db2.gz DLSFDUPPZRZJIF-LBPRGKRZSA-N -1 0 345.424 3.529 20 0 EHADRM COc1ccc(CNc2cccc(CC(=O)[O-])c2)cc1OC(F)F ZINC000818591504 597137755 /nfs/dbraw/zinc/13/77/55/597137755.db2.gz LPLKVWWHLOEISD-UHFFFAOYSA-N -1 0 337.322 3.536 20 0 EHADRM C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737720816 597182565 /nfs/dbraw/zinc/18/25/65/597182565.db2.gz KKWCWSVELUYSQK-LBPRGKRZSA-N -1 0 330.359 3.678 20 0 EHADRM CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737782333 597188372 /nfs/dbraw/zinc/18/83/72/597188372.db2.gz FGULAVAWJAYEGV-KRWDZBQOSA-N -1 0 341.411 3.714 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000738623192 597190565 /nfs/dbraw/zinc/19/05/65/597190565.db2.gz CTHPLHSQRORGEM-DGCLKSJQSA-N -1 0 344.333 3.556 20 0 EHADRM CCc1ccc([C@@H]2CCCN2C(=O)NCc2ccc(C(=O)[O-])cc2)o1 ZINC000263459994 597231743 /nfs/dbraw/zinc/23/17/43/597231743.db2.gz ILKVEUPHESTFPW-INIZCTEOSA-N -1 0 342.395 3.587 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(C)C(=O)NCCCCCC(=O)[O-] ZINC000315237989 597235076 /nfs/dbraw/zinc/23/50/76/597235076.db2.gz SRWMUKCJNBCUAE-LBPRGKRZSA-N -1 0 326.824 3.687 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818090039 597325670 /nfs/dbraw/zinc/32/56/70/597325670.db2.gz KVDSZCJWRKXLJB-PBHICJAKSA-N -1 0 338.407 3.724 20 0 EHADRM CCCN(Cc1ccccc1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000383857743 597331561 /nfs/dbraw/zinc/33/15/61/597331561.db2.gz XIAXOWWHZRJUJC-UHFFFAOYSA-N -1 0 326.396 3.758 20 0 EHADRM CCN(Cc1c(F)cccc1F)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818202731 597333221 /nfs/dbraw/zinc/33/32/21/597333221.db2.gz QHAJUFTVUOYFJL-UHFFFAOYSA-N -1 0 348.349 3.646 20 0 EHADRM CCC(CC)c1cc(CNC(=O)Nc2ccccc2CC(=O)[O-])on1 ZINC000818140811 597341779 /nfs/dbraw/zinc/34/17/79/597341779.db2.gz MTBZEQHPGWWTLR-UHFFFAOYSA-N -1 0 345.399 3.527 20 0 EHADRM CC[C@@H](C)n1ncc(NC(=O)c2cccc(C(=O)[O-])c2)c1C1CC1 ZINC000820273157 598149241 /nfs/dbraw/zinc/14/92/41/598149241.db2.gz VCCMHMYFNBRECL-LLVKDONJSA-N -1 0 327.384 3.682 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2OCC(F)(F)F)cc1 ZINC000238060407 598154137 /nfs/dbraw/zinc/15/41/37/598154137.db2.gz DJTYVNJYRDXUKY-UHFFFAOYSA-N -1 0 339.269 3.578 20 0 EHADRM Cc1ccc(NC(=O)C[C@H](C)Nc2cccc(CC(=O)[O-])c2)c(C)c1 ZINC000563396648 598198111 /nfs/dbraw/zinc/19/81/11/598198111.db2.gz NVPUCWVCCRNRPP-HNNXBMFYSA-N -1 0 340.423 3.760 20 0 EHADRM CN(CCC(=O)[O-])C(=O)c1csc(-c2cccc3ccccc32)n1 ZINC000820586134 598208031 /nfs/dbraw/zinc/20/80/31/598208031.db2.gz LUUNDOYLERNTIY-UHFFFAOYSA-N -1 0 340.404 3.510 20 0 EHADRM CC(C)[C@H](C)N(C)C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000390312289 599703698 /nfs/dbraw/zinc/70/36/98/599703698.db2.gz GHWUWAFHVYJEGI-VIFPVBQESA-N -1 0 332.322 3.912 20 0 EHADRM CN(Cc1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000320191304 599703732 /nfs/dbraw/zinc/70/37/32/599703732.db2.gz GFMBDGVGJKCIEO-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(Cl)cc3cccnc32)c(F)c1 ZINC000740150580 599704334 /nfs/dbraw/zinc/70/43/34/599704334.db2.gz WFRPFGPEOKQZFQ-UHFFFAOYSA-N -1 0 344.729 3.978 20 0 EHADRM CCOc1ccc(C[C@H](CNc2nc3ccccc3o2)C(=O)[O-])cc1 ZINC000737205901 599707443 /nfs/dbraw/zinc/70/74/43/599707443.db2.gz UEURVWUMZQPOTF-CQSZACIVSA-N -1 0 340.379 3.582 20 0 EHADRM CCCc1ccc([C@@H](NC(=O)CCNC(=O)[O-])c2cccs2)cc1 ZINC000737044937 599712108 /nfs/dbraw/zinc/71/21/08/599712108.db2.gz LLWXCURALYMXAK-QGZVFWFLSA-N -1 0 346.452 3.564 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(F)c(NC(=O)[O-])c1)c1ccccc1 ZINC000736599653 599716397 /nfs/dbraw/zinc/71/63/97/599716397.db2.gz YHFQSQXBCFMVKW-LLVKDONJSA-N -1 0 331.347 3.841 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1sccc1OC(F)F ZINC000120231943 599723943 /nfs/dbraw/zinc/72/39/43/599723943.db2.gz HYNNGONIGQYKQZ-UHFFFAOYSA-N -1 0 327.308 3.608 20 0 EHADRM C[C@@H](c1ccc2ccccc2c1)N(C(=O)CCCNC(=O)[O-])C1CC1 ZINC000736715822 599726011 /nfs/dbraw/zinc/72/60/11/599726011.db2.gz AFIJVCKZQNGDKF-AWEZNQCLSA-N -1 0 340.423 3.940 20 0 EHADRM CC[C@@H](CC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1)C(C)C ZINC000236919324 599731164 /nfs/dbraw/zinc/73/11/64/599731164.db2.gz LHSZNHHLBBFIJH-ZDUSSCGKSA-N -1 0 342.439 3.823 20 0 EHADRM O=C(/C=C\c1cccc(OC2CCCC2)c1)NC1(C(=O)[O-])CCCC1 ZINC000739216425 599733023 /nfs/dbraw/zinc/73/30/23/599733023.db2.gz QXFZCWIPTQFLEA-KHPPLWFESA-N -1 0 343.423 3.535 20 0 EHADRM COc1ccc([C@H](C)C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000139467648 599733339 /nfs/dbraw/zinc/73/33/39/599733339.db2.gz FBXYBHAYRYOYBP-KBXCAEBGSA-N -1 0 341.407 3.521 20 0 EHADRM O=C([O-])c1cccc(OCCSCCOc2cccc(F)c2)c1 ZINC000740232113 599734957 /nfs/dbraw/zinc/73/49/57/599734957.db2.gz QIDPBLKCLMSHFV-UHFFFAOYSA-N -1 0 336.384 3.715 20 0 EHADRM CN(CCCC(=O)Nc1ccc2nc(C3CC3)sc2c1)C(=O)[O-] ZINC000737430432 599745742 /nfs/dbraw/zinc/74/57/42/599745742.db2.gz AEVSMJDVSSEXGK-UHFFFAOYSA-N -1 0 333.413 3.502 20 0 EHADRM C[C@H](OC(=O)[C@]1(C)CCCc2ccccc21)c1ccc(C(=O)[O-])o1 ZINC000736687128 599751267 /nfs/dbraw/zinc/75/12/67/599751267.db2.gz UWGCRYCSSXVVPB-HXPMCKFVSA-N -1 0 328.364 3.876 20 0 EHADRM Cc1cc(NC(=O)Cc2ccccc2C(F)(F)F)ccc1C(=O)[O-] ZINC000237714469 599753127 /nfs/dbraw/zinc/75/31/27/599753127.db2.gz ROHXHZKCMUYWNF-UHFFFAOYSA-N -1 0 337.297 3.893 20 0 EHADRM CC(C)N(Cc1cccc(F)c1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000736470821 599757260 /nfs/dbraw/zinc/75/72/60/599757260.db2.gz AKKFDNBZPSGYOX-UHFFFAOYSA-N -1 0 344.386 3.895 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Nc1ccc2scnc2c1)c1cccs1 ZINC000739628653 599758035 /nfs/dbraw/zinc/75/80/35/599758035.db2.gz VVQOKIJDYHMDHZ-NSHDSACASA-N -1 0 347.421 3.695 20 0 EHADRM CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)NCCCC(=O)[O-] ZINC000263484496 599758576 /nfs/dbraw/zinc/75/85/76/599758576.db2.gz OZOGQMNZKIXYQC-UHFFFAOYSA-N -1 0 347.242 3.778 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)Nc2cccc(C(F)F)c2)cc1 ZINC000386223624 599758664 /nfs/dbraw/zinc/75/86/64/599758664.db2.gz KJRBNPWBWZDEDR-UHFFFAOYSA-N -1 0 334.322 3.687 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000236971475 599762977 /nfs/dbraw/zinc/76/29/77/599762977.db2.gz FEBXYIUQRWHIPY-ZMZKGCHWSA-N -1 0 344.238 3.712 20 0 EHADRM Cc1ccc2c(CC(=O)Nc3ccc(N(C)C(=O)[O-])cc3)c[nH]c2c1 ZINC000738293820 599765269 /nfs/dbraw/zinc/76/52/69/599765269.db2.gz VSBKWCIJESQIDH-UHFFFAOYSA-N -1 0 337.379 3.772 20 0 EHADRM Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000676024995 599770950 /nfs/dbraw/zinc/77/09/50/599770950.db2.gz DJCRTRWAZAWKSU-UHFFFAOYSA-N -1 0 343.427 3.524 20 0 EHADRM CC[C@@H](C)c1ccc(NC(=O)CN[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000736890665 599786405 /nfs/dbraw/zinc/78/64/05/599786405.db2.gz GGKVTFNMLYEBGX-AUUYWEPGSA-N -1 0 340.423 3.554 20 0 EHADRM O=C([O-])[C@@H](NCc1ccc(F)cc1Cl)c1cc(F)ccc1F ZINC000683172187 599788163 /nfs/dbraw/zinc/78/81/63/599788163.db2.gz APILUEPRZDKBRD-AWEZNQCLSA-N -1 0 329.705 3.673 20 0 EHADRM Cc1csc([C@@H](C)NC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)n1 ZINC000315425528 599788885 /nfs/dbraw/zinc/78/88/85/599788885.db2.gz PZAHPRVZOMFSRM-MRVPVSSYSA-N -1 0 339.804 3.686 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])o1)Cc1ccc(F)cc1Br ZINC000724849714 599795681 /nfs/dbraw/zinc/79/56/81/599795681.db2.gz YCMMNYUETWEKOI-UHFFFAOYSA-N -1 0 342.164 3.511 20 0 EHADRM O=C([O-])c1ccc2[nH]c3c(c2c1)CN(Cc1nc2ccccc2o1)CC3 ZINC000740190151 599796078 /nfs/dbraw/zinc/79/60/78/599796078.db2.gz KLRBFPZQOHHKKR-UHFFFAOYSA-N -1 0 347.374 3.566 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccccc2)c(OCC(F)(F)F)c1 ZINC000740157154 599801046 /nfs/dbraw/zinc/80/10/46/599801046.db2.gz PRXLXKPOEPEAKR-UHFFFAOYSA-N -1 0 339.269 3.578 20 0 EHADRM C[C@@H](c1ccccc1)c1ccc(OC(=O)CCSCC(=O)[O-])cc1 ZINC000736725029 599801085 /nfs/dbraw/zinc/80/10/85/599801085.db2.gz RFUZIGHZMQRJDU-AWEZNQCLSA-N -1 0 344.432 3.952 20 0 EHADRM Cc1cc(C=Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc(C)c1O ZINC000738379923 599801989 /nfs/dbraw/zinc/80/19/89/599801989.db2.gz WJQDKZIKFYCSPE-UTCJRWHESA-N -1 0 336.347 3.526 20 0 EHADRM O=C([O-])c1coc(COc2ccc(Br)cc2Cl)c1 ZINC000051329435 599802792 /nfs/dbraw/zinc/80/27/92/599802792.db2.gz RNISQNYMRRBKHK-UHFFFAOYSA-N -1 0 331.549 3.973 20 0 EHADRM CC(C)Oc1ccc(NC(=S)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000736493725 599805368 /nfs/dbraw/zinc/80/53/68/599805368.db2.gz BTIZCUPJFUBSNV-UHFFFAOYSA-N -1 0 330.409 3.981 20 0 EHADRM Cc1ccc(-c2csc(NC(=O)[C@H](NC(=O)[O-])C(C)C)n2)cc1C ZINC000738488184 599807600 /nfs/dbraw/zinc/80/76/00/599807600.db2.gz JKHHLBZVDXSFNT-CQSZACIVSA-N -1 0 347.440 3.658 20 0 EHADRM Cc1cccc(N(C(=O)c2cccc(OCC(=O)[O-])c2)C(C)C)c1 ZINC000738721505 599811966 /nfs/dbraw/zinc/81/19/66/599811966.db2.gz JDHOOZSGQOJIMM-UHFFFAOYSA-N -1 0 327.380 3.514 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1)C(C)(C)c1ccccc1 ZINC000736649870 599819723 /nfs/dbraw/zinc/81/97/23/599819723.db2.gz XHQBGAMGTDDBJC-CYBMUJFWSA-N -1 0 326.396 3.873 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)NC2(c3ccc(F)cc3)CC2)c1 ZINC000740042930 599819868 /nfs/dbraw/zinc/81/98/68/599819868.db2.gz MSFOLGYDSBJJRA-UHFFFAOYSA-N -1 0 329.331 3.726 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2csc(-c3ccoc3)n2)ccc1F ZINC000740011479 599824692 /nfs/dbraw/zinc/82/46/92/599824692.db2.gz DFNUIMWMVFOCSU-UHFFFAOYSA-N -1 0 347.327 3.884 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N[C@H]2CCc3cc(F)ccc32)cc1 ZINC000739762014 599825517 /nfs/dbraw/zinc/82/55/17/599825517.db2.gz YOGDQPHUIQYVLY-KRWDZBQOSA-N -1 0 342.370 3.652 20 0 EHADRM Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N(C)C(C)(C)C(=O)[O-] ZINC000362338806 599827872 /nfs/dbraw/zinc/82/78/72/599827872.db2.gz GOAMRPWWROEVDU-UHFFFAOYSA-N -1 0 346.452 3.671 20 0 EHADRM COc1ccc(-c2cc(C(=O)N(C)C(C)(C)C(=O)[O-])sc2C)cc1 ZINC000263050958 599828307 /nfs/dbraw/zinc/82/83/07/599828307.db2.gz FLIXREPFTQGPBL-UHFFFAOYSA-N -1 0 347.436 3.667 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)NCCc2cccc(Cl)c2)cc1 ZINC000739760209 599829091 /nfs/dbraw/zinc/82/90/91/599829091.db2.gz NVMZHYVIUJLBLB-UHFFFAOYSA-N -1 0 346.814 3.721 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCCc2ccc(Cl)cc2)c(F)c1 ZINC000321418242 599835876 /nfs/dbraw/zinc/83/58/76/599835876.db2.gz SDJNTTMIHVLABZ-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM CN(C(=O)C(F)(F)c1cccc(Cl)c1)c1ccccc1C(=O)[O-] ZINC000737311801 599837462 /nfs/dbraw/zinc/83/74/62/599837462.db2.gz SCKRUKOVINKULZ-UHFFFAOYSA-N -1 0 339.725 3.793 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1OC(=O)/C=C\c1cncc(F)c1 ZINC000739215830 599839970 /nfs/dbraw/zinc/83/99/70/599839970.db2.gz HDYPHKQUJHPBDZ-WAYWQWQTSA-N -1 0 337.306 3.691 20 0 EHADRM CCOc1ccc2ccccc2c1COC(=O)CCCN(C)C(=O)[O-] ZINC000737210897 599840413 /nfs/dbraw/zinc/84/04/13/599840413.db2.gz OFWTVSHMLWTGIN-UHFFFAOYSA-N -1 0 345.395 3.672 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)c1nc(-c2ccccc2)cs1 ZINC000739485101 599844189 /nfs/dbraw/zinc/84/41/89/599844189.db2.gz LCYUYYRJTJUQSU-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM C[C@@H]1CCc2c(C(=O)Nc3cccc(F)c3C(=O)[O-])csc2C1 ZINC000319639581 599847241 /nfs/dbraw/zinc/84/72/41/599847241.db2.gz QFUUPPRGESRZBG-SECBINFHSA-N -1 0 333.384 3.963 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)CSc1ccc(Cl)cc1 ZINC000314179488 599847249 /nfs/dbraw/zinc/84/72/49/599847249.db2.gz DFWDFUFPWGLWAT-UHFFFAOYSA-N -1 0 339.775 3.908 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000318918273 599849035 /nfs/dbraw/zinc/84/90/35/599849035.db2.gz VMJROEFHVGYOKT-UHFFFAOYSA-N -1 0 339.178 3.658 20 0 EHADRM COc1ccc(OC)c(Nc2nc(-c3cc(C(=O)[O-])co3)cs2)c1 ZINC000738049107 599858659 /nfs/dbraw/zinc/85/86/59/599858659.db2.gz WDBJNTWALIKHHB-UHFFFAOYSA-N -1 0 346.364 3.862 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)OCc1cc(F)cc2cccnc21 ZINC000740053954 599866956 /nfs/dbraw/zinc/86/69/56/599866956.db2.gz MJZWNYLUSCTGFX-UHFFFAOYSA-N -1 0 340.310 3.821 20 0 EHADRM CC[C@@H](CC(=O)O[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C)C(C)C ZINC000736893092 599870676 /nfs/dbraw/zinc/87/06/76/599870676.db2.gz UUASPOOLGZVVJT-STQMWFEESA-N -1 0 337.416 3.516 20 0 EHADRM CC(F)(F)CCC(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000736629550 599871518 /nfs/dbraw/zinc/87/15/18/599871518.db2.gz OMXORMPOEZVUOU-UHFFFAOYSA-N -1 0 327.352 3.651 20 0 EHADRM Cc1sc(NC(=O)N(C)Cc2cccc(C#N)c2)c(C(=O)[O-])c1C ZINC000392157412 599879379 /nfs/dbraw/zinc/87/93/79/599879379.db2.gz IIBNUELPCSQOAC-UHFFFAOYSA-N -1 0 343.408 3.599 20 0 EHADRM Cc1sc(NC(=O)N(C)Cc2cccc(F)c2)c(C(=O)[O-])c1C ZINC000320488117 599879452 /nfs/dbraw/zinc/87/94/52/599879452.db2.gz VANLNZQCISNJOL-UHFFFAOYSA-N -1 0 336.388 3.866 20 0 EHADRM Cc1nc(-c2ccccc2)c(C(=O)OCc2cc(C(=O)[O-])co2)s1 ZINC000738833509 599879524 /nfs/dbraw/zinc/87/95/24/599879524.db2.gz YPIVEBSNSBJDQQ-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM CCCO[C@H]1CCCN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)CC1 ZINC000737028031 599881320 /nfs/dbraw/zinc/88/13/20/599881320.db2.gz OEXOKRBOHPQFLF-KRWDZBQOSA-N -1 0 348.443 3.517 20 0 EHADRM CC(C)[C@@H](NC(=O)[O-])C(=O)O[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000736684852 599884736 /nfs/dbraw/zinc/88/47/36/599884736.db2.gz NDAKHYCFIHGNQI-PRHODGIISA-N -1 0 334.199 3.890 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000120219429 599894130 /nfs/dbraw/zinc/89/41/30/599894130.db2.gz VZJAZPQNKQMYPI-ZDUSSCGKSA-N -1 0 327.380 3.834 20 0 EHADRM Cc1nc(CS[C@@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)cs1 ZINC000738858581 599896473 /nfs/dbraw/zinc/89/64/73/599896473.db2.gz HRTMTFNKFGJEKV-VIFPVBQESA-N -1 0 338.454 3.599 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)c3cscn3)ccc2n1C1CC1 ZINC000738276443 599899197 /nfs/dbraw/zinc/89/91/97/599899197.db2.gz SUAUMKJISWVEEK-UHFFFAOYSA-N -1 0 342.376 3.659 20 0 EHADRM O=C([O-])c1cnc(/C=C\c2ccc(OCc3ccncc3)cc2)s1 ZINC000338616013 599907517 /nfs/dbraw/zinc/90/75/17/599907517.db2.gz YYTIPVIWQUYUCN-UTCJRWHESA-N -1 0 338.388 3.986 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)NCCCc2cccc(Cl)c2)c1 ZINC000740030245 599910714 /nfs/dbraw/zinc/91/07/14/599910714.db2.gz HJVSPPGQDZXZQA-UHFFFAOYSA-N -1 0 332.787 3.793 20 0 EHADRM Cn1c(NC(=O)c2cccc(NC(=O)[O-])c2)nc2cc(Cl)ccc21 ZINC000739014952 599910833 /nfs/dbraw/zinc/91/08/33/599910833.db2.gz ZIDNSLIMUJYNMZ-UHFFFAOYSA-N -1 0 344.758 3.569 20 0 EHADRM C[C@H](CN(C(=O)C(c1ccccc1)c1ccccc1)C1CC1)C(=O)[O-] ZINC000736563682 599923443 /nfs/dbraw/zinc/92/34/43/599923443.db2.gz QZQGCUPCXTWUQS-OAHLLOKOSA-N -1 0 337.419 3.530 20 0 EHADRM O=C([O-])CC[C@H](NC(=S)Nc1ccc(Cl)nc1)c1ccccc1 ZINC000739662486 599927208 /nfs/dbraw/zinc/92/72/08/599927208.db2.gz KCWHAYOYPGCHSV-ZDUSSCGKSA-N -1 0 349.843 3.628 20 0 EHADRM Cc1cc(NC(=O)Cc2coc(-c3cccs3)n2)ccc1C(=O)[O-] ZINC000237809523 599928933 /nfs/dbraw/zinc/92/89/33/599928933.db2.gz BLZYDOWAESDADG-UHFFFAOYSA-N -1 0 342.376 3.591 20 0 EHADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Oc1ccc2ccccc2c1 ZINC000738277463 599929557 /nfs/dbraw/zinc/92/95/57/599929557.db2.gz ZFPQCSDAFUHWOL-UHFFFAOYSA-N -1 0 342.372 3.614 20 0 EHADRM C[C@H](CN(C(=O)CCSc1ccccc1Cl)C1CC1)C(=O)[O-] ZINC000237595543 599930871 /nfs/dbraw/zinc/93/08/71/599930871.db2.gz XFIXSVLDONPVJY-LLVKDONJSA-N -1 0 341.860 3.534 20 0 EHADRM CC(C)(C)c1ncc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)s1 ZINC000139387326 599931286 /nfs/dbraw/zinc/93/12/86/599931286.db2.gz DWWZIWUQAPVOMO-ZDUSSCGKSA-N -1 0 346.452 3.777 20 0 EHADRM CC(C)Cc1nc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)cs1 ZINC000736452650 599931674 /nfs/dbraw/zinc/93/16/74/599931674.db2.gz COZGIOVZNGLSSR-AWEZNQCLSA-N -1 0 346.452 3.678 20 0 EHADRM O=C([O-])c1ccc2ccccc2c1OS(=O)(=O)C1CCCCC1 ZINC000740203447 599932164 /nfs/dbraw/zinc/93/21/64/599932164.db2.gz QHUWKQXXEKHUAW-UHFFFAOYSA-N -1 0 334.393 3.579 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNc1cccc2c1OCCO2 ZINC000740281722 599936919 /nfs/dbraw/zinc/93/69/19/599936919.db2.gz WAYMNOKANNBQEW-UHFFFAOYSA-N -1 0 341.388 3.983 20 0 EHADRM Cc1nc(CC(=O)OCc2c3ccccc3sc2C(=O)[O-])cs1 ZINC000738851418 599943724 /nfs/dbraw/zinc/94/37/24/599943724.db2.gz YWAMAGPKDXRECC-UHFFFAOYSA-N -1 0 347.417 3.650 20 0 EHADRM CC(C)COCCC(=O)OCc1c2ccccc2sc1C(=O)[O-] ZINC000736446515 599944219 /nfs/dbraw/zinc/94/42/19/599944219.db2.gz VEHADGXABBZXCF-UHFFFAOYSA-N -1 0 336.409 3.705 20 0 EHADRM CC(C)c1cc(C(=O)OCc2c3ccccc3sc2C(=O)[O-])n[nH]1 ZINC000736515056 599944317 /nfs/dbraw/zinc/94/43/17/599944317.db2.gz FMRQLSGSOWUCCO-UHFFFAOYSA-N -1 0 344.392 3.803 20 0 EHADRM CC(C)[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1O)c1ccccc1 ZINC000736351353 599947658 /nfs/dbraw/zinc/94/76/58/599947658.db2.gz DTIAWYMDYOFDQD-OAHLLOKOSA-N -1 0 327.380 3.859 20 0 EHADRM Cn1ccc2c1cccc2C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000139323437 599950971 /nfs/dbraw/zinc/95/09/71/599950971.db2.gz UZJXRHPSDUKLKI-QGZVFWFLSA-N -1 0 336.391 3.514 20 0 EHADRM Cn1cc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)c2ccccc21 ZINC000193456435 599953538 /nfs/dbraw/zinc/95/35/38/599953538.db2.gz QAPIYZYFFQMROB-KRWDZBQOSA-N -1 0 336.391 3.514 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC000738604005 599954250 /nfs/dbraw/zinc/95/42/50/599954250.db2.gz AXWBTWCFGDNENO-UHFFFAOYSA-N -1 0 348.786 3.547 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)Nc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000738588421 599955519 /nfs/dbraw/zinc/95/55/19/599955519.db2.gz FMWGFTUDSWITCE-AWEZNQCLSA-N -1 0 326.396 3.754 20 0 EHADRM O=C([O-])CSCc1cccc(Nc2ncnc3ccsc32)c1 ZINC000739874694 599960341 /nfs/dbraw/zinc/96/03/41/599960341.db2.gz WKPUQNMFLFLWBL-UHFFFAOYSA-N -1 0 331.422 3.753 20 0 EHADRM O=C([O-])c1ccc(OC(=O)[C@H](OC2CCCC2)c2ccccc2)cc1 ZINC000740161352 599968043 /nfs/dbraw/zinc/96/80/43/599968043.db2.gz OVPMXQMGRQLSJW-GOSISDBHSA-N -1 0 340.375 3.991 20 0 EHADRM C[C@H](C(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1)c1ccccc1F ZINC000362506649 599971732 /nfs/dbraw/zinc/97/17/32/599971732.db2.gz BIRCWLNTGVOSPO-LBPRGKRZSA-N -1 0 349.789 3.696 20 0 EHADRM C[C@@H](C(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1)c1ccccc1F ZINC000362506648 599971774 /nfs/dbraw/zinc/97/17/74/599971774.db2.gz BIRCWLNTGVOSPO-GFCCVEGCSA-N -1 0 349.789 3.696 20 0 EHADRM C[C@@H](CC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F)CC(C)(C)C ZINC000736541618 599971920 /nfs/dbraw/zinc/97/19/20/599971920.db2.gz NOFZTGPJHCLLON-BONVTDFDSA-N -1 0 327.371 3.669 20 0 EHADRM C[C@H](NC(=O)NCCCCCC(=O)[O-])c1csc2ccccc21 ZINC000736646858 599983114 /nfs/dbraw/zinc/98/31/14/599983114.db2.gz MKOUKYUVGJSDQU-LBPRGKRZSA-N -1 0 334.441 3.907 20 0 EHADRM CC(C)(C)c1ccc(CCCCC(=O)N2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000178271005 599985588 /nfs/dbraw/zinc/98/55/88/599985588.db2.gz SFGBMWNRCWDQOU-MRXNPFEDSA-N -1 0 331.456 3.630 20 0 EHADRM COc1ccc(NC(=O)Nc2cccc(CSCC(=O)[O-])c2)cc1 ZINC000738034658 599987295 /nfs/dbraw/zinc/98/72/95/599987295.db2.gz PWEXIMJNEURJEN-UHFFFAOYSA-N -1 0 346.408 3.657 20 0 EHADRM Cc1cccc(C)c1NC(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000738694976 599994052 /nfs/dbraw/zinc/99/40/52/599994052.db2.gz DLBYIJKBNIWJOV-HNNXBMFYSA-N -1 0 344.386 3.508 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)c1 ZINC000740042769 599994551 /nfs/dbraw/zinc/99/45/51/599994551.db2.gz LMMPLLXMJMUAMO-STQMWFEESA-N -1 0 332.306 3.797 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1Cc2ccccc2C1 ZINC000736486802 599996052 /nfs/dbraw/zinc/99/60/52/599996052.db2.gz DVDHJXSJHWBBFR-UHFFFAOYSA-N -1 0 340.379 3.720 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000738542360 599996153 /nfs/dbraw/zinc/99/61/53/599996153.db2.gz XXUGJBIWYYMUTQ-CHWSQXEVSA-N -1 0 332.302 3.681 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)CCc2ccc(C)c(Cl)c2)c1 ZINC000325604254 600002275 /nfs/dbraw/zinc/00/22/75/600002275.db2.gz GVNVYZQAMBDSGJ-UHFFFAOYSA-N -1 0 347.798 3.927 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)C[C@@H](C)c2ccccc2OC)c1 ZINC000737935964 600003800 /nfs/dbraw/zinc/00/38/00/600003800.db2.gz XCPKXJRUSFKMFI-GFCCVEGCSA-N -1 0 343.379 3.534 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)C[C@H](C)c2ccccc2OC)c1 ZINC000737935965 600003849 /nfs/dbraw/zinc/00/38/49/600003849.db2.gz XCPKXJRUSFKMFI-LBPRGKRZSA-N -1 0 343.379 3.534 20 0 EHADRM Cc1ccccc1Oc1ccccc1CNc1ccc(C(=O)[O-])nn1 ZINC000738786141 600006201 /nfs/dbraw/zinc/00/62/01/600006201.db2.gz UFBDMZQMSZSBAK-UHFFFAOYSA-N -1 0 335.363 3.888 20 0 EHADRM CC(C)[C@H](Sc1ccccc1)C(=O)Nc1ncc(C(=O)[O-])s1 ZINC000736389821 600006840 /nfs/dbraw/zinc/00/68/40/600006840.db2.gz FDJPJFBCOILGRP-LBPRGKRZSA-N -1 0 336.438 3.597 20 0 EHADRM Cc1cc2nc(Oc3cccc(CC(=O)[O-])c3)c3ccccc3n2n1 ZINC000738487496 600012680 /nfs/dbraw/zinc/01/26/80/600012680.db2.gz XJJJVUFXNWPZIP-UHFFFAOYSA-N -1 0 333.347 3.610 20 0 EHADRM CCc1ccc([C@@H](NC(=O)NC2CCC(C(=O)[O-])CC2)C(C)C)cc1 ZINC000263043000 600012794 /nfs/dbraw/zinc/01/27/94/600012794.db2.gz QJNWKQSSFGAEQN-ABHNRTSZSA-N -1 0 346.471 3.889 20 0 EHADRM Cc1cc(NC(=O)N[C@H](C)CCc2ccccc2)ccc1C(=O)[O-] ZINC000324494693 600016661 /nfs/dbraw/zinc/01/66/61/600016661.db2.gz MLBCERKNUUQVJC-CQSZACIVSA-N -1 0 326.396 3.836 20 0 EHADRM CCCN(CC(C)C)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000737017774 600019588 /nfs/dbraw/zinc/01/95/88/600019588.db2.gz CNFNAGQTICYQLU-UHFFFAOYSA-N -1 0 338.473 3.904 20 0 EHADRM CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000736252916 600019921 /nfs/dbraw/zinc/01/99/21/600019921.db2.gz SIHRJSABMBESEX-GYTBAZASSA-N -1 0 338.492 3.782 20 0 EHADRM CC1(C)CC[C@H](NC(=O)NC2CCC(C(=O)[O-])CC2)c2ccccc21 ZINC000263001961 600021289 /nfs/dbraw/zinc/02/12/89/600021289.db2.gz MWUURWOGHYQWRC-KVULBXGLSA-N -1 0 344.455 3.742 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000739889982 600024339 /nfs/dbraw/zinc/02/43/39/600024339.db2.gz VBLIZZNFZYPERW-UHFFFAOYSA-N -1 0 325.147 3.840 20 0 EHADRM Cc1cc(OCC(=O)Oc2cccc(CC(=O)[O-])c2)ccc1C(C)C ZINC000738474544 600025747 /nfs/dbraw/zinc/02/57/47/600025747.db2.gz OPSZXAOGSFGNDO-UHFFFAOYSA-N -1 0 342.391 3.730 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000736762815 600026819 /nfs/dbraw/zinc/02/68/19/600026819.db2.gz MAYQZHOJCYBKTE-FHLIZLRMSA-N -1 0 348.439 3.697 20 0 EHADRM CCN(Cc1cccc(Cl)c1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263491570 600028587 /nfs/dbraw/zinc/02/85/87/600028587.db2.gz RKQRINWPNYSISM-UHFFFAOYSA-N -1 0 338.835 3.515 20 0 EHADRM Cc1ccc2c(c1)[C@H](NC(=O)Nc1cc(C(=O)[O-])ccc1F)CC2 ZINC000738671219 600032825 /nfs/dbraw/zinc/03/28/25/600032825.db2.gz UZORMGGJOVMLMR-OAHLLOKOSA-N -1 0 328.343 3.641 20 0 EHADRM CCCOc1ccccc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000236962746 600033683 /nfs/dbraw/zinc/03/36/83/600033683.db2.gz BUENKFIUNWZCAC-UHFFFAOYSA-N -1 0 327.380 3.745 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)CCc2ccc(C(=O)[O-])cc2)cc1C ZINC000237579124 600037445 /nfs/dbraw/zinc/03/74/45/600037445.db2.gz OTDPPSDITMQYTF-OAHLLOKOSA-N -1 0 325.408 3.812 20 0 EHADRM CC(C)N(Cc1cccs1)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000262569550 600037920 /nfs/dbraw/zinc/03/79/20/600037920.db2.gz CFPUVHQWXUNQOT-UHFFFAOYSA-N -1 0 331.437 3.816 20 0 EHADRM COc1ccccc1C/C(C)=C/C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000738124198 600040703 /nfs/dbraw/zinc/04/07/03/600040703.db2.gz ODRHTAXGPQHONH-VAWYXSNFSA-N -1 0 343.354 3.660 20 0 EHADRM COc1ccc(Cl)c(NC(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000738015901 600042288 /nfs/dbraw/zinc/04/22/88/600042288.db2.gz LHGUJVIZHQQFDP-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM C[C@@H]1CCc2c(C(=O)N3Cc4ccc(C(=O)[O-])cc4C3)csc2C1 ZINC000326355346 600043705 /nfs/dbraw/zinc/04/37/05/600043705.db2.gz PWRNWBDRRMAMDO-LLVKDONJSA-N -1 0 341.432 3.727 20 0 EHADRM C/C(=C/C(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccccc1Cl ZINC000736121738 600043823 /nfs/dbraw/zinc/04/38/23/600043823.db2.gz TUFXSYIVRGNRET-WQLSENKSSA-N -1 0 341.794 3.984 20 0 EHADRM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000261970871 600049849 /nfs/dbraw/zinc/04/98/49/600049849.db2.gz BJSKQFQMTJKIFG-HLIUYOAVSA-N -1 0 347.455 3.511 20 0 EHADRM O=C([O-])C1CCC(NC(=O)c2ccccc2Oc2ccccc2)CC1 ZINC000262174295 600049892 /nfs/dbraw/zinc/04/98/92/600049892.db2.gz QPFDIGJDAAASOM-UHFFFAOYSA-N -1 0 339.391 3.852 20 0 EHADRM Cc1cc(C(=O)[O-])c2sc(NC(=O)CCCC(C)(C)C)nc2n1 ZINC000738342000 600050188 /nfs/dbraw/zinc/05/01/88/600050188.db2.gz IPTJNMYKVUOZOL-UHFFFAOYSA-N -1 0 335.429 3.853 20 0 EHADRM COc1ccc2[nH]c(SCc3ccc(F)cc3C(=O)[O-])nc2c1 ZINC000320807823 600057920 /nfs/dbraw/zinc/05/79/20/600057920.db2.gz ZJTSUBFPCNZUGG-UHFFFAOYSA-N -1 0 332.356 3.701 20 0 EHADRM C[C@H](CNC(=O)c1ccc(-c2ccc(Cl)cc2)cc1F)C(=O)[O-] ZINC000736600391 600060199 /nfs/dbraw/zinc/06/01/99/600060199.db2.gz HCMRAKSHDAAXNS-SNVBAGLBSA-N -1 0 335.762 3.597 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(F)c(C)c2)cc1 ZINC000237362704 600063190 /nfs/dbraw/zinc/06/31/90/600063190.db2.gz KEUQHNKJUWTURH-INIZCTEOSA-N -1 0 347.411 3.802 20 0 EHADRM Cc1ccc(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)c(O)c1 ZINC000436647411 600068581 /nfs/dbraw/zinc/06/85/81/600068581.db2.gz KHMHBFRZNNWLSC-UHFFFAOYSA-N -1 0 345.420 3.661 20 0 EHADRM CCC(CC)(NC(=O)CCC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000517571718 600068966 /nfs/dbraw/zinc/06/89/66/600068966.db2.gz ADNDICHKDQBAIK-UHFFFAOYSA-N -1 0 332.227 3.990 20 0 EHADRM Cc1cccc(C)c1Oc1ccccc1NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000432106856 600076412 /nfs/dbraw/zinc/07/64/12/600076412.db2.gz AICJKHMUIPMOFK-KBPBESRZSA-N -1 0 325.364 3.755 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OCc1nnc(-c2ccccc2)o1 ZINC000321120879 600080350 /nfs/dbraw/zinc/08/03/50/600080350.db2.gz JGMBHOBIOXAXCC-UHFFFAOYSA-N -1 0 330.727 3.667 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(Cc1c(F)c(F)c(F)c(F)c1F)C2 ZINC000326381575 600080612 /nfs/dbraw/zinc/08/06/12/600080612.db2.gz YKLBVGPKNKWFJN-UHFFFAOYSA-N -1 0 343.251 3.596 20 0 EHADRM NC(CCCc1ccccc1)=NOCc1ccc(F)cc1C(=O)[O-] ZINC000739185089 600081764 /nfs/dbraw/zinc/08/17/64/600081764.db2.gz YGTZNAYRSOYZBD-UHFFFAOYSA-N -1 0 330.359 3.545 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2cc(Cl)ccc2F)ccc1F ZINC000740007882 600089371 /nfs/dbraw/zinc/08/93/71/600089371.db2.gz MEDOQLNVHSMHIJ-UHFFFAOYSA-N -1 0 326.686 3.960 20 0 EHADRM CN(CCCc1nc(-c2ccc(-c3ccccc3)cc2)no1)C(=O)[O-] ZINC000737440297 600110467 /nfs/dbraw/zinc/11/04/67/600110467.db2.gz CSVLJHMVACRWRG-UHFFFAOYSA-N -1 0 337.379 3.946 20 0 EHADRM O=C([O-])c1ccc(-c2noc(CCCOc3ccc(F)cc3)n2)cc1 ZINC000740101644 600111739 /nfs/dbraw/zinc/11/17/39/600111739.db2.gz PXJIPBCNCMSKLA-UHFFFAOYSA-N -1 0 342.326 3.586 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000736707262 600114454 /nfs/dbraw/zinc/11/44/54/600114454.db2.gz FIGJKOAPXQDYAE-GFCCVEGCSA-N -1 0 348.395 3.889 20 0 EHADRM Cc1cccc(C[C@H](CNC(=O)Nc2ccc(F)c(C)c2)C(=O)[O-])c1 ZINC000738707036 600115014 /nfs/dbraw/zinc/11/50/14/600115014.db2.gz BQYQKPWETVLSIF-OAHLLOKOSA-N -1 0 344.386 3.508 20 0 EHADRM C/C(=C\C(=O)OCc1ccc(F)cc1C(=O)[O-])c1ccc(F)cc1 ZINC000736121557 600116122 /nfs/dbraw/zinc/11/61/22/600116122.db2.gz NPNXFXFHMJRYAC-DHZHZOJOSA-N -1 0 332.302 3.810 20 0 EHADRM O=C([O-])c1cccc(NC(=O)CCCCCc2cccs2)c1O ZINC000739234687 600118144 /nfs/dbraw/zinc/11/81/44/600118144.db2.gz UXRGMVLWHIWOLX-UHFFFAOYSA-N -1 0 333.409 3.894 20 0 EHADRM CC(C)(C)c1ccc(CCCC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000736298447 600119116 /nfs/dbraw/zinc/11/91/16/600119116.db2.gz SNCMPAPHIRFNSO-QGZVFWFLSA-N -1 0 346.471 3.565 20 0 EHADRM CCCc1c(C(=O)N(C)C[C@H](C)c2ccccc2)[nH]c(C)c1C(=O)[O-] ZINC000737040972 600121426 /nfs/dbraw/zinc/12/14/26/600121426.db2.gz JXUHVKHOLZJWEL-ZDUSSCGKSA-N -1 0 342.439 3.850 20 0 EHADRM Cc1ccc2[nH]c(C(=O)Nc3ccc(F)c(NC(=O)[O-])c3)cc2c1 ZINC000738667092 600122979 /nfs/dbraw/zinc/12/29/79/600122979.db2.gz AAZKEHQLUOTRAA-UHFFFAOYSA-N -1 0 327.315 3.958 20 0 EHADRM C[C@H]1CCCCN1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000736783214 600124951 /nfs/dbraw/zinc/12/49/51/600124951.db2.gz FIMJLZOFSNKEPN-ZDUSSCGKSA-N -1 0 336.457 3.801 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)N2CCCCCC2)c1 ZINC000739754309 600125354 /nfs/dbraw/zinc/12/53/54/600125354.db2.gz PCSRXMSWLITCSG-UHFFFAOYSA-N -1 0 336.457 3.802 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)C=C(C)c1ccc(F)cc1 ZINC000736186998 600125993 /nfs/dbraw/zinc/12/59/93/600125993.db2.gz SPRTURFFZKKZFZ-PKNBQFBNSA-N -1 0 342.322 3.735 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)Oc2ccc(C(=O)[O-])cc2C(C)=O)cc1 ZINC000737257431 600126399 /nfs/dbraw/zinc/12/63/99/600126399.db2.gz OSSAXOXYKGLWPU-GFCCVEGCSA-N -1 0 340.375 3.859 20 0 EHADRM O=C([O-])c1cccc(CNc2ccc(-n3cccn3)c(Cl)c2)c1 ZINC000740219997 600127981 /nfs/dbraw/zinc/12/79/81/600127981.db2.gz BCOSTUZHKRVBIF-UHFFFAOYSA-N -1 0 327.771 3.836 20 0 EHADRM CCCCc1nc(CN[C@](CC)(C(=O)[O-])c2ccccc2)cs1 ZINC000737004504 600130578 /nfs/dbraw/zinc/13/05/78/600130578.db2.gz RAJWOIDWOFKYRJ-SFHVURJKSA-N -1 0 332.469 3.965 20 0 EHADRM Cc1ccc(OC(=O)COc2ccccc2C(C)C)c(C(=O)[O-])c1 ZINC000738641566 600133823 /nfs/dbraw/zinc/13/38/23/600133823.db2.gz VTAWEGUTAXMIHU-UHFFFAOYSA-N -1 0 328.364 3.801 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)Oc1ccc(C(=O)[O-])cc1 ZINC000738125399 600142794 /nfs/dbraw/zinc/14/27/94/600142794.db2.gz AXAUEYVYBSFCTM-ZDUSSCGKSA-N -1 0 328.364 3.568 20 0 EHADRM O=C([O-])c1cccnc1SCCOc1ccc(C(F)(F)F)cc1 ZINC000740242149 600143235 /nfs/dbraw/zinc/14/32/35/600143235.db2.gz RJDBGDZJCAAWDF-UHFFFAOYSA-N -1 0 343.326 3.970 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CN1C[C@H](c2ccccc2)OCC1(C)C ZINC000563278748 600144313 /nfs/dbraw/zinc/14/43/13/600144313.db2.gz MIRCKPNUBWPLGU-QGZVFWFLSA-N -1 0 329.396 3.638 20 0 EHADRM CC[C@](C)(NC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000362338068 600145836 /nfs/dbraw/zinc/14/58/36/600145836.db2.gz AJGISTPUYGQPBO-VFZGTOFNSA-N -1 0 332.227 3.542 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3CC[C@@H](C(=O)[O-])C3)c(F)c2)cc1C ZINC000237713517 600150334 /nfs/dbraw/zinc/15/03/34/600150334.db2.gz YERVCEZAUYRENB-MRXNPFEDSA-N -1 0 341.382 3.656 20 0 EHADRM C[C@H](OC(=O)c1cc(F)c(Cl)nc1Cl)c1ccc(C(=O)[O-])o1 ZINC000736692841 600164585 /nfs/dbraw/zinc/16/45/85/600164585.db2.gz XNRHRSQINMIKRC-YFKPBYRVSA-N -1 0 348.113 3.737 20 0 EHADRM Cc1cc(C)cc([C@H](C)NC(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000263312745 600171719 /nfs/dbraw/zinc/17/17/19/600171719.db2.gz YZZFAWZPDRCHIN-AWEZNQCLSA-N -1 0 326.396 3.562 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000736762840 600182187 /nfs/dbraw/zinc/18/21/87/600182187.db2.gz SJQMCTWDNLYIIM-GXTWGEPZSA-N -1 0 342.370 3.934 20 0 EHADRM Cc1c(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)oc2ccccc12 ZINC000738289843 600182685 /nfs/dbraw/zinc/18/26/85/600182685.db2.gz WSQGRSJDOHBXML-UHFFFAOYSA-N -1 0 342.326 3.900 20 0 EHADRM CCN(C(=O)Nc1ccc(F)c(NC(=O)[O-])c1)[C@@H](C)c1cccnc1 ZINC000737057569 600183387 /nfs/dbraw/zinc/18/33/87/600183387.db2.gz HJTPUXVYNGVHRR-NSHDSACASA-N -1 0 346.362 3.926 20 0 EHADRM C[C@H](SCc1noc(CCC(=O)[O-])n1)c1ccc(Cl)cc1 ZINC000736709511 600187345 /nfs/dbraw/zinc/18/73/45/600187345.db2.gz UBHWCBMAXJCLFD-VIFPVBQESA-N -1 0 326.805 3.735 20 0 EHADRM CCCCC[C@@H](NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)C(C)(C)C ZINC000736984905 600189627 /nfs/dbraw/zinc/18/96/27/600189627.db2.gz QDTNAMGAGWBGNX-LSDHHAIUSA-N -1 0 338.492 3.878 20 0 EHADRM CC(C)CC[C@H](NC(=O)N1CCC(CC(=O)[O-])CC1)C(C)(C)C ZINC000736429511 600189729 /nfs/dbraw/zinc/18/97/29/600189729.db2.gz ZDHSUHFPQMHOMF-HNNXBMFYSA-N -1 0 326.481 3.734 20 0 EHADRM C[C@@H](CCC1CCCCC1)NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736560773 600189833 /nfs/dbraw/zinc/18/98/33/600189833.db2.gz DULVNSUPGIANEL-GOEBONIOSA-N -1 0 336.476 3.632 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)O[C@@H](C)c1cccnc1)C(=O)[O-] ZINC000736717958 600189942 /nfs/dbraw/zinc/18/99/42/600189942.db2.gz RVMMFLZWGWTJNG-NWDGAFQWSA-N -1 0 331.393 3.565 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCc2ccc(Cl)cc2)cc([N+](=O)[O-])c1 ZINC000237995251 600190869 /nfs/dbraw/zinc/19/08/69/600190869.db2.gz JSRAMABQRIJMNZ-UHFFFAOYSA-N -1 0 348.742 3.518 20 0 EHADRM C/C(=C/C(=O)N[C@@H](CC(=O)[O-])c1ccccc1)c1cccc(F)c1 ZINC000236656047 600191220 /nfs/dbraw/zinc/19/12/20/600191220.db2.gz YJCPINJQQLCMET-QFSNBGPKSA-N -1 0 327.355 3.561 20 0 EHADRM O=C([O-])c1ccc2ccccc2c1OC(=O)CC[C@H]1CCCCO1 ZINC000739233292 600193369 /nfs/dbraw/zinc/19/33/69/600193369.db2.gz BFMACCGCORASBF-CQSZACIVSA-N -1 0 328.364 3.793 20 0 EHADRM C/C(=C\C(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1cccc(F)c1 ZINC000736118092 600193705 /nfs/dbraw/zinc/19/37/05/600193705.db2.gz PSBHIIKKYPSERA-JLHYYAGUSA-N -1 0 327.355 3.586 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)c1cc(-c2ccccc2)ccc1Cl ZINC000346027459 600194125 /nfs/dbraw/zinc/19/41/25/600194125.db2.gz OCEGFYYUCZZJKK-UHFFFAOYSA-N -1 0 331.799 3.942 20 0 EHADRM CN(C(=O)c1cc2ccc(Cl)cc2[nH]1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737336983 600195713 /nfs/dbraw/zinc/19/57/13/600195713.db2.gz ROLTXDPEHHRBKE-INIZCTEOSA-N -1 0 342.782 3.719 20 0 EHADRM Cc1cc(C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)c(C)n1C(C)C ZINC000738320992 600196172 /nfs/dbraw/zinc/19/61/72/600196172.db2.gz XWHMIRPBLWIGQA-QGZVFWFLSA-N -1 0 328.412 3.584 20 0 EHADRM CN(C(=O)c1cc(-c2ccccc2)ccc1Cl)C(C)(C)C(=O)[O-] ZINC000346025703 600198511 /nfs/dbraw/zinc/19/85/11/600198511.db2.gz LGYPBZCYLGKUSI-UHFFFAOYSA-N -1 0 331.799 3.942 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cc2csc3ccccc23)c(F)c1 ZINC000479431900 600200067 /nfs/dbraw/zinc/20/00/67/600200067.db2.gz ZHYWMXZBVQXBIB-UHFFFAOYSA-N -1 0 329.352 3.920 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)c(C(=O)[O-])c1 ZINC000544406807 600207045 /nfs/dbraw/zinc/20/70/45/600207045.db2.gz GGXNAWWFSYJCBZ-QWRGUYRKSA-N -1 0 331.318 3.714 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000740078869 600207509 /nfs/dbraw/zinc/20/75/09/600207509.db2.gz UYQLQBRHZFDHDY-VHSXEESVSA-N -1 0 335.281 3.544 20 0 EHADRM C[C@@H](CC(=O)N1C[C@H](C(=O)[O-])c2ccccc21)c1cccc(F)c1 ZINC000192949052 600208038 /nfs/dbraw/zinc/20/80/38/600208038.db2.gz CJHCHQLGSQITLO-LRDDRELGSA-N -1 0 327.355 3.534 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)C[C@@H](C)c2ccccc2C)c1 ZINC000737934426 600208312 /nfs/dbraw/zinc/20/83/12/600208312.db2.gz BBXNKYMKPXCXCW-CYBMUJFWSA-N -1 0 327.380 3.834 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(OC3CCCCC3)cc2)nc1 ZINC000740115546 600209461 /nfs/dbraw/zinc/20/94/61/600209461.db2.gz ZWEGPEQNIFFROR-UHFFFAOYSA-N -1 0 340.379 3.744 20 0 EHADRM COc1ccc(C(=O)[O-])c(OCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000320752278 600214173 /nfs/dbraw/zinc/21/41/73/600214173.db2.gz NMQGVEFSZOEJHN-UHFFFAOYSA-N -1 0 337.715 3.534 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000177472717 600215234 /nfs/dbraw/zinc/21/52/34/600215234.db2.gz YFXHUENAVUWTLX-NSHDSACASA-N -1 0 336.174 3.822 20 0 EHADRM CC(C)[C@H](C)C(=O)OCc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000736355670 600216022 /nfs/dbraw/zinc/21/60/22/600216022.db2.gz RVGBEJRQXPDGDY-NSHDSACASA-N -1 0 333.409 3.844 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)CCSc2ccc(F)cc2)c2ccccc21 ZINC000177476020 600217122 /nfs/dbraw/zinc/21/71/22/600217122.db2.gz FPPMIROOFPZPAW-OAHLLOKOSA-N -1 0 345.395 3.523 20 0 EHADRM Cc1ccc([C@@H]2CCCN2[C@@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)o1 ZINC000738581913 600218591 /nfs/dbraw/zinc/21/85/91/600218591.db2.gz GSPDQTULBWYKLG-KBPBESRZSA-N -1 0 344.411 3.639 20 0 EHADRM C[C@H](CC(=O)N1C[C@H](C(=O)[O-])c2ccccc21)c1ccc(F)cc1 ZINC000262694105 600223040 /nfs/dbraw/zinc/22/30/40/600223040.db2.gz DBFPEYNLKGOEAN-WBMJQRKESA-N -1 0 327.355 3.534 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)C2(c3cccc(Cl)c3)CC2)c2ccccc21 ZINC000739598200 600226181 /nfs/dbraw/zinc/22/61/81/600226181.db2.gz WIVUZXVBYZDIBJ-HNNXBMFYSA-N -1 0 341.794 3.587 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NC1(c2nccs2)CCCC1 ZINC000738534610 600232626 /nfs/dbraw/zinc/23/26/26/600232626.db2.gz XTJDLFOJIJUDAJ-UHFFFAOYSA-N -1 0 345.424 3.741 20 0 EHADRM CC(C)(C)c1nsc(NC(=O)Nc2cccc(NC(=O)[O-])c2)n1 ZINC000736306273 600241862 /nfs/dbraw/zinc/24/18/62/600241862.db2.gz PDZXTCPVOVEEHZ-UHFFFAOYSA-N -1 0 335.389 3.570 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)CCc2cc(Cl)cs2)c1 ZINC000737939965 600246968 /nfs/dbraw/zinc/24/69/68/600246968.db2.gz OFANYMBVXNGSDW-UHFFFAOYSA-N -1 0 340.784 3.647 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCc1cc(Cl)cs1 ZINC000262490224 600247189 /nfs/dbraw/zinc/24/71/89/600247189.db2.gz ZGATWQFIKADYHR-BPNCWPANSA-N -1 0 341.860 3.578 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)COc1ccccc1C(C)C ZINC000738085574 600248629 /nfs/dbraw/zinc/24/86/29/600248629.db2.gz PIFPKSHKZBMNPK-UHFFFAOYSA-N -1 0 344.363 3.501 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)/C=C(/C)c1ccc(F)cc1 ZINC000738086515 600248862 /nfs/dbraw/zinc/24/88/62/600248862.db2.gz YSOICRVRIFCYKZ-KHPPLWFESA-N -1 0 330.311 3.541 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C[C@H](C)n1cccc1 ZINC000531749260 600255786 /nfs/dbraw/zinc/25/57/86/600255786.db2.gz NGEXQDZTCGCNAC-ZDUSSCGKSA-N -1 0 330.384 3.563 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccccc1 ZINC000262492560 600257424 /nfs/dbraw/zinc/25/74/24/600257424.db2.gz WVJDRKMVVOZSGJ-BHYGNILZSA-N -1 0 329.440 3.530 20 0 EHADRM CCO[C@H](C)c1noc(COc2c(C(=O)[O-])ccc3ccccc32)n1 ZINC000737159828 600260035 /nfs/dbraw/zinc/26/00/35/600260035.db2.gz YZEQAVVGNUJSAG-LLVKDONJSA-N -1 0 342.351 3.598 20 0 EHADRM O=C([O-])c1ccc(Oc2nc(-c3ccccn3)nc3c2CCC3)cc1 ZINC000740167740 600260235 /nfs/dbraw/zinc/26/02/35/600260235.db2.gz HKYLPIXADBOJMX-UHFFFAOYSA-N -1 0 333.347 3.518 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000740240218 600267604 /nfs/dbraw/zinc/26/76/04/600267604.db2.gz QBPNGKIRZTVOME-AWEZNQCLSA-N -1 0 342.370 3.620 20 0 EHADRM Cc1cc(COC(=O)c2cc3c(cc(F)cc3C)[nH]2)oc1C(=O)[O-] ZINC000738391998 600268029 /nfs/dbraw/zinc/26/80/29/600268029.db2.gz FDLVDQFQTAWKAB-UHFFFAOYSA-N -1 0 331.299 3.572 20 0 EHADRM COc1ccccc1-c1cccc(NC(=O)c2ccc(C(=O)[O-])cn2)c1 ZINC000190614417 600268653 /nfs/dbraw/zinc/26/86/53/600268653.db2.gz ZDFWKOHPVAHVNX-UHFFFAOYSA-N -1 0 348.358 3.708 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(C(=O)c1ccc(-c3ccccc3)cc1)CC2 ZINC000262462849 600270598 /nfs/dbraw/zinc/27/05/98/600270598.db2.gz QZVXEECDTIMRKD-SFHVURJKSA-N -1 0 335.403 3.681 20 0 EHADRM O=C([O-])c1occc1COC(=O)c1cccc(Oc2nccs2)c1 ZINC000740298165 600272792 /nfs/dbraw/zinc/27/27/92/600272792.db2.gz XNAMYDNMNMVMOS-UHFFFAOYSA-N -1 0 345.332 3.584 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)N[C@@H](Cc2ccccc2)C2CC2)c1 ZINC000740042953 600276820 /nfs/dbraw/zinc/27/68/20/600276820.db2.gz MXSABEMGHKJSKE-KRWDZBQOSA-N -1 0 339.395 3.919 20 0 EHADRM O=C([O-])c1ccc2nc(SCc3ccc4c(c3)OCCO4)oc2c1 ZINC000740212108 600278824 /nfs/dbraw/zinc/27/88/24/600278824.db2.gz BJKSNKACTUHSIX-UHFFFAOYSA-N -1 0 343.360 3.590 20 0 EHADRM CSCC[C@H](C)N(C)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000161786564 600279360 /nfs/dbraw/zinc/27/93/60/600279360.db2.gz WNBYEPOWLIMJIH-VIFPVBQESA-N -1 0 330.837 3.644 20 0 EHADRM C[C@H](NC(=S)Nc1ccc(CN(C)C(=O)[O-])cc1)c1ccccc1 ZINC000736660537 600279372 /nfs/dbraw/zinc/27/93/72/600279372.db2.gz KXXXEARHIWYKMA-ZDUSSCGKSA-N -1 0 343.452 3.844 20 0 EHADRM CN(Cc1ccc(F)cc1)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000322857325 600281848 /nfs/dbraw/zinc/28/18/48/600281848.db2.gz SULIWKPMSOCPAD-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM CN(Cc1ccc(NC(=O)c2c(F)cccc2Cl)cc1)C(=O)[O-] ZINC000737480192 600281851 /nfs/dbraw/zinc/28/18/51/600281851.db2.gz HWAMDUJSMBKCLL-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM CN(Cc1ccc(NC(=O)[C@@H]2CCCc3ccccc32)cc1)C(=O)[O-] ZINC000737479380 600283345 /nfs/dbraw/zinc/28/33/45/600283345.db2.gz XWOATHBYNBLMEW-GOSISDBHSA-N -1 0 338.407 3.855 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N[C@@H]2CCOc3ccccc32)c1 ZINC000325424819 600284981 /nfs/dbraw/zinc/28/49/81/600284981.db2.gz XSMQDNYVVDQESX-CQSZACIVSA-N -1 0 346.770 3.684 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N[C@H]2CCCc3occc32)c1 ZINC000739463203 600287139 /nfs/dbraw/zinc/28/71/39/600287139.db2.gz NSSZVCKJUJDNKQ-ZDUSSCGKSA-N -1 0 334.759 3.830 20 0 EHADRM Cc1cccc(C2(C(=O)Nc3ccc(CNC(=O)[O-])cc3)CCC2)c1 ZINC000738687873 600294932 /nfs/dbraw/zinc/29/49/32/600294932.db2.gz WHNUIOKPBTWQJP-UHFFFAOYSA-N -1 0 338.407 3.823 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000738121477 600297456 /nfs/dbraw/zinc/29/74/56/600297456.db2.gz QLZDHCKNFOBJTG-ZDUSSCGKSA-N -1 0 342.395 3.595 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)c2ccc(-c3ccccc3)[nH]2)cc1 ZINC000739991615 600297934 /nfs/dbraw/zinc/29/79/34/600297934.db2.gz KIPQLKLYQPQWLC-UHFFFAOYSA-N -1 0 335.363 3.702 20 0 EHADRM Cc1cccc(OCCC(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000738733737 600320486 /nfs/dbraw/zinc/32/04/86/600320486.db2.gz DTWKHWFPSJOVCJ-QGZVFWFLSA-N -1 0 348.782 3.786 20 0 EHADRM COc1ccc(/C=C/C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000737983789 600321379 /nfs/dbraw/zinc/32/13/79/600321379.db2.gz XHFZMQOYWHUUKK-JEJOPICUSA-N -1 0 346.766 3.731 20 0 EHADRM O=C([O-])[C@@H](OC(=O)/C=C/c1ccccc1F)c1cccc(Cl)c1 ZINC000739216495 600323209 /nfs/dbraw/zinc/32/32/09/600323209.db2.gz SLOCJAUBQSUPKI-FDMDGMSGSA-N -1 0 334.730 3.861 20 0 EHADRM C[C@@H](Nc1ccc(CNC(=O)[O-])cc1)c1nnc(-c2ccccc2)o1 ZINC000736670182 600326608 /nfs/dbraw/zinc/32/66/08/600326608.db2.gz DJWARCDTHJQZAG-GFCCVEGCSA-N -1 0 338.367 3.677 20 0 EHADRM Cc1cc(C)cc(NC(=O)[C@@H](C)Nc2ccc(CNC(=O)[O-])cc2)c1 ZINC000738365197 600328076 /nfs/dbraw/zinc/32/80/76/600328076.db2.gz XQMGIJHFAYNTDZ-CQSZACIVSA-N -1 0 341.411 3.510 20 0 EHADRM CC[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc(C(=O)[O-])cc1 ZINC000237068655 600336053 /nfs/dbraw/zinc/33/60/53/600336053.db2.gz FRDOHFPYKLDJRZ-CDVVCGDMSA-N -1 0 341.432 3.996 20 0 EHADRM CCCCOc1cccc(NC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000736999868 600336214 /nfs/dbraw/zinc/33/62/14/600336214.db2.gz LKDIELLRVQBBNX-INIZCTEOSA-N -1 0 346.427 3.584 20 0 EHADRM CN(Cc1ccc(NC(=O)Nc2cccc(F)c2F)cc1)C(=O)[O-] ZINC000737480784 600338190 /nfs/dbraw/zinc/33/81/90/600338190.db2.gz UIWCFOHDOVIEHB-UHFFFAOYSA-N -1 0 335.310 3.719 20 0 EHADRM COc1ccc(NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)c(C)c1 ZINC000738034179 600339527 /nfs/dbraw/zinc/33/95/27/600339527.db2.gz HWKFLMDSCIKCQS-UHFFFAOYSA-N -1 0 343.383 3.757 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)c1cccs1 ZINC000736647878 600343697 /nfs/dbraw/zinc/34/36/97/600343697.db2.gz BHKNIZQQJLKRQR-LLVKDONJSA-N -1 0 333.413 3.741 20 0 EHADRM CN(Cc1ccc(NC(=O)N2CCC[C@@H]2C2CCC2)cc1)C(=O)[O-] ZINC000737484503 600345393 /nfs/dbraw/zinc/34/53/93/600345393.db2.gz YLPDRUWBCXLMSM-MRXNPFEDSA-N -1 0 331.416 3.593 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)c1ccccc1 ZINC000736649154 600345834 /nfs/dbraw/zinc/34/58/34/600345834.db2.gz PUEHURKQWUQYAP-CYBMUJFWSA-N -1 0 327.384 3.679 20 0 EHADRM CCc1ccc(CN(C)C(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000737265915 600352675 /nfs/dbraw/zinc/35/26/75/600352675.db2.gz YCUILNCNFQXUSZ-UHFFFAOYSA-N -1 0 341.411 3.681 20 0 EHADRM O=C([O-])NCCOC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000739977038 600354404 /nfs/dbraw/zinc/35/44/04/600354404.db2.gz HKURIDFCZFIXFO-UHFFFAOYSA-N -1 0 334.180 3.633 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)N2CCC[C@]3(CC=CCC3)C2)cc1 ZINC000739987932 600354674 /nfs/dbraw/zinc/35/46/74/600354674.db2.gz HUKDWTRZHZNRRX-LJQANCHMSA-N -1 0 343.427 3.808 20 0 EHADRM CCc1cc2c(ncnc2NCCc2ccc(NC(=O)[O-])cc2)s1 ZINC000737252677 600364297 /nfs/dbraw/zinc/36/42/97/600364297.db2.gz PCBBIBCITCCQSG-UHFFFAOYSA-N -1 0 342.424 3.998 20 0 EHADRM Cc1oc(-c2ccccc2F)nc1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000738956947 600367735 /nfs/dbraw/zinc/36/77/35/600367735.db2.gz XJZUFSIMIVBNSY-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM C/C(=C/C(=O)OCc1ccc(F)cc1C(=O)[O-])c1cccc(F)c1 ZINC000736122472 600369311 /nfs/dbraw/zinc/36/93/11/600369311.db2.gz VOFCCNACAIVNCR-XFFZJAGNSA-N -1 0 332.302 3.810 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC000736618719 600371172 /nfs/dbraw/zinc/37/11/72/600371172.db2.gz SSGKDXRGHUNKEV-XJKSGUPXSA-N -1 0 330.405 3.784 20 0 EHADRM C[C@@H](CC(=O)N1CCCC[C@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000136514183 600373740 /nfs/dbraw/zinc/37/37/40/600373740.db2.gz DFJGBJIGXDJCJY-FZMZJTMJSA-N -1 0 343.345 3.665 20 0 EHADRM COc1ccc(CNC(=O)CC/C=C/c2ccccc2)cc1C(=O)[O-] ZINC000237277762 600374838 /nfs/dbraw/zinc/37/48/38/600374838.db2.gz KOQAQTKUYYFJMA-WEVVVXLNSA-N -1 0 339.391 3.503 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000676002244 600375009 /nfs/dbraw/zinc/37/50/09/600375009.db2.gz GNRLOJHBOZNYRY-SNVBAGLBSA-N -1 0 335.762 3.995 20 0 EHADRM CCNc1nnc(S[C@H](C(=O)[O-])c2cccc(Cl)c2)s1 ZINC000737128887 600378054 /nfs/dbraw/zinc/37/80/54/600378054.db2.gz CZRFWMBNUGPGCR-VIFPVBQESA-N -1 0 329.834 3.541 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000237562570 600379856 /nfs/dbraw/zinc/37/98/56/600379856.db2.gz VNVWFTKVSLTODL-SNVBAGLBSA-N -1 0 335.762 3.995 20 0 EHADRM Cc1nc(-c2cccs2)sc1C(=O)NC(C)(C)CCC(=O)[O-] ZINC000237725835 600380806 /nfs/dbraw/zinc/38/08/06/600380806.db2.gz YSUYCSCBPFNKDH-UHFFFAOYSA-N -1 0 338.454 3.553 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)C(C)(C)Cc1ccccc1 ZINC000737859465 600380874 /nfs/dbraw/zinc/38/08/74/600380874.db2.gz YHSYPGPEMXYPQJ-UHFFFAOYSA-N -1 0 328.364 3.568 20 0 EHADRM CC[C@H](C)[C@@H]1CCCCN1C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000736881123 600381159 /nfs/dbraw/zinc/38/11/59/600381159.db2.gz WMBWKYUYSXKVSX-YOEHRIQHSA-N -1 0 342.439 3.767 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)/C=C\c2ccnc3ccccc23)cc1 ZINC000493151860 600381495 /nfs/dbraw/zinc/38/14/95/600381495.db2.gz KIZVINVLOOATCI-YFHOEESVSA-N -1 0 332.359 3.514 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@H](C)c1ccccc1F)c1ccccc1 ZINC000736845706 600385345 /nfs/dbraw/zinc/38/53/45/600385345.db2.gz CMTUNLRBIGPWGK-CXAGYDPISA-N -1 0 329.371 3.826 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)c2ccc(C(F)F)cc2)cc1 ZINC000740019751 600386558 /nfs/dbraw/zinc/38/65/58/600386558.db2.gz IUIBHXNJJSEROK-UHFFFAOYSA-N -1 0 334.322 3.687 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)C=Cc2ccccc2Cl)cc1 ZINC000740016107 600387473 /nfs/dbraw/zinc/38/74/73/600387473.db2.gz BKTMOGRSYDAMMQ-JXMROGBWSA-N -1 0 344.798 3.802 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1cc2c(s1)CCC2)c1ccccc1 ZINC000736850598 600388535 /nfs/dbraw/zinc/38/85/35/600388535.db2.gz BJZCCDJIOQQESA-CQSZACIVSA-N -1 0 329.421 3.747 20 0 EHADRM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)CCSCC(=O)[O-])cc1 ZINC000738584612 600391383 /nfs/dbraw/zinc/39/13/83/600391383.db2.gz ZNZIKYNGNYNMOA-RDTXWAMCSA-N -1 0 335.469 3.503 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2CC=CCC2)cc1 ZINC000236611324 600392825 /nfs/dbraw/zinc/39/28/25/600392825.db2.gz WBTAHOMXRNEWKV-RDJZCZTQSA-N -1 0 329.440 3.972 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N2CC[C@@H](c3ccco3)C2)ccc1F ZINC000740006690 600394092 /nfs/dbraw/zinc/39/40/92/600394092.db2.gz VTRMVQCVKNUDJM-SNVBAGLBSA-N -1 0 333.319 3.530 20 0 EHADRM CC[C@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000736905466 600394559 /nfs/dbraw/zinc/39/45/59/600394559.db2.gz SEDMOGQJXWIMKP-GFCCVEGCSA-N -1 0 330.359 3.839 20 0 EHADRM CCCc1c(C(=O)N[C@@H]2CSc3ccccc32)[nH]c(C)c1C(=O)[O-] ZINC000737039655 600396227 /nfs/dbraw/zinc/39/62/27/600396227.db2.gz GOVHXJIOELXSJE-CYBMUJFWSA-N -1 0 344.436 3.551 20 0 EHADRM CN(Cc1ccc(Br)s1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737451151 600396861 /nfs/dbraw/zinc/39/68/61/600396861.db2.gz KLFRECZAFFJVNY-CYBMUJFWSA-N -1 0 340.242 3.768 20 0 EHADRM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000739517735 600397131 /nfs/dbraw/zinc/39/71/31/600397131.db2.gz QUTIMHAYNCUULX-GOSISDBHSA-N -1 0 343.810 3.961 20 0 EHADRM O=C([O-])c1n[nH]c2ccc(NC(=O)CC/C=C/c3ccccc3)cc21 ZINC000238146862 600397465 /nfs/dbraw/zinc/39/74/65/600397465.db2.gz BPSFOFNDDFVUSW-XBXARRHUSA-N -1 0 335.363 3.693 20 0 EHADRM C[C@@H]1c2ccccc2CCN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000736840322 600401247 /nfs/dbraw/zinc/40/12/47/600401247.db2.gz MAJDAQAJEXJNHY-LLVKDONJSA-N -1 0 328.343 3.675 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)Nc2cccc(C(=O)[O-])c2)s1 ZINC000237764783 600402517 /nfs/dbraw/zinc/40/25/17/600402517.db2.gz STIMGRFIQUJZMM-UHFFFAOYSA-N -1 0 327.308 3.608 20 0 EHADRM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000736825642 600403474 /nfs/dbraw/zinc/40/34/74/600403474.db2.gz OJMBCTPLVOZIQM-BFUOFWGJSA-N -1 0 338.407 3.759 20 0 EHADRM CCc1nc([C@@H](C)NC(=O)Nc2ccc(CCC(=O)[O-])cc2)cs1 ZINC000737277193 600403524 /nfs/dbraw/zinc/40/35/24/600403524.db2.gz RHDAXNUDGJJWAR-LLVKDONJSA-N -1 0 347.440 3.605 20 0 EHADRM CCN(Cc1ccc(C)cc1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000737106063 600403531 /nfs/dbraw/zinc/40/35/31/600403531.db2.gz LASNGBCJJNMECI-UHFFFAOYSA-N -1 0 330.359 3.886 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)N(C)c2ccccc2C(=O)[O-])s1 ZINC000738238962 600404170 /nfs/dbraw/zinc/40/41/70/600404170.db2.gz DEXJHFQSXWPMDI-UHFFFAOYSA-N -1 0 341.335 3.633 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)NC[C@H]2CCc3ccccc32)cc1 ZINC000739761393 600404381 /nfs/dbraw/zinc/40/43/81/600404381.db2.gz UWMCYDCGFPTSPV-MRXNPFEDSA-N -1 0 338.407 3.555 20 0 EHADRM C[C@H](CC1CCCC1)C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000237653190 600407558 /nfs/dbraw/zinc/40/75/58/600407558.db2.gz LUTXIFOAEKANFE-CVEARBPZSA-N -1 0 331.456 3.952 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H](C)CC2CCCC2)cc1 ZINC000675947185 600408086 /nfs/dbraw/zinc/40/80/86/600408086.db2.gz VMMNYTUDQRUGMD-CXAGYDPISA-N -1 0 333.428 3.544 20 0 EHADRM Cc1[nH]c(C(=O)N2C[C@H](c3ccccc3C)C[C@@H]2C)c(C)c1C(=O)[O-] ZINC000738319070 600411964 /nfs/dbraw/zinc/41/19/64/600411964.db2.gz DTCDZSJZEUSJPC-SWLSCSKDSA-N -1 0 340.423 3.656 20 0 EHADRM O=C([O-])[C@@H](Nc1ccc2c(c1)OCCCO2)c1cccc(Cl)c1 ZINC000739513180 600417957 /nfs/dbraw/zinc/41/79/57/600417957.db2.gz RIINUTYAQXPYQV-INIZCTEOSA-N -1 0 333.771 3.739 20 0 EHADRM Nc1c(Cl)cc(N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1Cl ZINC000739203570 600420060 /nfs/dbraw/zinc/42/00/60/600420060.db2.gz HDUWKVFLHSXEDS-ZDUSSCGKSA-N -1 0 329.158 3.953 20 0 EHADRM CC(=O)Nc1ccc(N[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1C ZINC000736159780 600420307 /nfs/dbraw/zinc/42/03/07/600420307.db2.gz LOSIGAPGUBRUOB-INIZCTEOSA-N -1 0 332.787 3.845 20 0 EHADRM C[C@@H](Cc1ccccc1)C(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000736627568 600425321 /nfs/dbraw/zinc/42/53/21/600425321.db2.gz SQLHZGWPGCVMBY-NSHDSACASA-N -1 0 329.421 3.752 20 0 EHADRM O=C([O-])[C@@H](Nc1cccc(OCc2cccnc2)c1)c1ccccc1 ZINC000738525309 600425590 /nfs/dbraw/zinc/42/55/90/600425590.db2.gz JTVCPYTZCSCJEQ-IBGZPJMESA-N -1 0 334.375 3.898 20 0 EHADRM Cc1oc(COC(=O)C[C@H]2CCc3ccccc3C2)cc1C(=O)[O-] ZINC000738981243 600425826 /nfs/dbraw/zinc/42/58/26/600425826.db2.gz JLKYYGGWNQWFNS-ZDUSSCGKSA-N -1 0 328.364 3.525 20 0 EHADRM O=C([O-])c1sc(NCc2cc(-c3ccccc3)no2)nc1Cl ZINC000740278131 600431534 /nfs/dbraw/zinc/43/15/34/600431534.db2.gz FJNZIZNJHOGWBK-UHFFFAOYSA-N -1 0 335.772 3.762 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000740240279 600433171 /nfs/dbraw/zinc/43/31/71/600433171.db2.gz HAZQIVRTFBFONC-UHFFFAOYSA-N -1 0 332.359 3.550 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736710123 600451731 /nfs/dbraw/zinc/45/17/31/600451731.db2.gz ZXJPHVWPDDSSHK-MLGOLLRUSA-N -1 0 348.395 3.817 20 0 EHADRM C[C@@H]1CCCC[C@H]1CCNC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736779023 600452081 /nfs/dbraw/zinc/45/20/81/600452081.db2.gz HYPHZLZOQYXZNY-KGLIPLIRSA-N -1 0 330.428 3.626 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccc(Cl)nc1Cl)c1ccc(F)cc1 ZINC000740290577 600454213 /nfs/dbraw/zinc/45/42/13/600454213.db2.gz JYSAMFWJRUSMED-LLVKDONJSA-N -1 0 344.125 3.510 20 0 EHADRM C[C@@H]1CCCC[C@H]1CCNC(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000736780147 600455246 /nfs/dbraw/zinc/45/52/46/600455246.db2.gz KOSXNFVNOSOMHY-CABCVRRESA-N -1 0 348.443 3.878 20 0 EHADRM CCc1cccc(CC)c1NC(=S)NCc1ccc(C(=O)[O-])o1 ZINC000737268035 600466804 /nfs/dbraw/zinc/46/68/04/600466804.db2.gz XYJFYQYFSTVSGR-UHFFFAOYSA-N -1 0 332.425 3.589 20 0 EHADRM C[C@@H](OC(=O)Cc1csc(-c2ccoc2)n1)c1ccc(C(=O)[O-])o1 ZINC000736694481 600469463 /nfs/dbraw/zinc/46/94/63/600469463.db2.gz VTSHJZZTTKUKIG-SECBINFHSA-N -1 0 347.348 3.541 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1Cl ZINC000238121920 600477228 /nfs/dbraw/zinc/47/72/28/600477228.db2.gz QLUOMHYOEXRGMO-UHFFFAOYSA-N -1 0 341.697 3.892 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(-c3ccccc3)no2)cc1Cl ZINC000238186915 600477829 /nfs/dbraw/zinc/47/78/29/600477829.db2.gz LMHARVKIXUFQNP-UHFFFAOYSA-N -1 0 342.738 3.946 20 0 EHADRM C[C@@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000736835997 600478193 /nfs/dbraw/zinc/47/81/93/600478193.db2.gz HDXCMRBDNKSADD-SNVBAGLBSA-N -1 0 346.333 3.814 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000236830839 600478549 /nfs/dbraw/zinc/47/85/49/600478549.db2.gz DSQYNWUQVCMQDD-UHFFFAOYSA-N -1 0 349.333 3.694 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000237813451 600480302 /nfs/dbraw/zinc/48/03/02/600480302.db2.gz IRLBLBRZSJVGBW-UHFFFAOYSA-N -1 0 333.727 3.616 20 0 EHADRM CC[C@@H](C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1c(C)noc1C ZINC000736846273 600480457 /nfs/dbraw/zinc/48/04/57/600480457.db2.gz FIKFMXUHQACYHH-LLVKDONJSA-N -1 0 336.775 3.775 20 0 EHADRM CCO[C@@H](C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000181502658 600480754 /nfs/dbraw/zinc/48/07/54/600480754.db2.gz OMKBHAAOHHEGKD-OAHLLOKOSA-N -1 0 333.771 3.755 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)cc1F ZINC000237624355 600481348 /nfs/dbraw/zinc/48/13/48/600481348.db2.gz WWNBKFRMEZGTRE-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM Cc1cc(NC(=O)N2CCc3cccc(F)c3[C@@H]2C)ccc1C(=O)[O-] ZINC000738436568 600481477 /nfs/dbraw/zinc/48/14/77/600481477.db2.gz BGRYGTJOYURVRR-LBPRGKRZSA-N -1 0 342.370 3.984 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000238001253 600482409 /nfs/dbraw/zinc/48/24/09/600482409.db2.gz XPRMLRRHUDSEHI-UHFFFAOYSA-N -1 0 327.380 3.502 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000237839783 600487087 /nfs/dbraw/zinc/48/70/87/600487087.db2.gz VQSHYLDFHMRNEX-UHFFFAOYSA-N -1 0 345.782 3.948 20 0 EHADRM C[C@@H](CC(=O)Nc1cccc(NC(=O)[O-])c1)C(=O)c1ccccc1 ZINC000736549199 600490730 /nfs/dbraw/zinc/49/07/30/600490730.db2.gz TYCDGRQQPIHGHV-LBPRGKRZSA-N -1 0 326.352 3.624 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(N(C)C(=O)[O-])cc1)C(=O)c1ccccc1 ZINC000736547496 600491520 /nfs/dbraw/zinc/49/15/20/600491520.db2.gz CMJGATLFOQPBDF-ZDUSSCGKSA-N -1 0 340.379 3.648 20 0 EHADRM Cc1ccccc1C[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000738768538 600498020 /nfs/dbraw/zinc/49/80/20/600498020.db2.gz PCSRWGJOWWJTEP-CQSZACIVSA-N -1 0 329.421 3.602 20 0 EHADRM CN(Cc1ccccc1F)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000320464909 600508122 /nfs/dbraw/zinc/50/81/22/600508122.db2.gz BRGYWKMFBWILHD-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)cc1Cl ZINC000739464624 600508914 /nfs/dbraw/zinc/50/89/14/600508914.db2.gz HHGKIQMCOPDNFV-UKRRQHHQSA-N -1 0 348.761 3.855 20 0 EHADRM C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000736719417 600509599 /nfs/dbraw/zinc/50/95/99/600509599.db2.gz YTTGYRUURCXRNS-JTQLQIEISA-N -1 0 348.786 3.969 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCC[C@H]2c2ccccn2)cc1Cl ZINC000740145676 600510285 /nfs/dbraw/zinc/51/02/85/600510285.db2.gz DUKONTVMLVRDNB-HNNXBMFYSA-N -1 0 345.786 3.802 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000736358636 600522596 /nfs/dbraw/zinc/52/25/96/600522596.db2.gz LGTOSGPOJLUVQF-GOSISDBHSA-N -1 0 337.419 3.789 20 0 EHADRM CCN(C(=O)Cc1ccc2c(c1)CCCC2)c1ccccc1C(=O)[O-] ZINC000737060358 600523626 /nfs/dbraw/zinc/52/36/26/600523626.db2.gz RIOAKNASDBVNQZ-UHFFFAOYSA-N -1 0 337.419 3.859 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000479405523 600526349 /nfs/dbraw/zinc/52/63/49/600526349.db2.gz IJANVQHRKBFGGN-OAHLLOKOSA-N -1 0 329.371 3.977 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NC1C[C@H](C)C[C@@H](C)C1)C(=O)[O-] ZINC000630292732 600530351 /nfs/dbraw/zinc/53/03/51/600530351.db2.gz FBFWZMLEPOBEHG-UPJWGTAASA-N -1 0 335.469 3.806 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)o1 ZINC000739437399 600530510 /nfs/dbraw/zinc/53/05/10/600530510.db2.gz HLTKFFWCHBMUPY-CVEARBPZSA-N -1 0 342.395 3.503 20 0 EHADRM CCc1[nH]c(C(=O)N(CC)[C@H](CC)c2ccncc2)c(C)c1C(=O)[O-] ZINC000737237736 600530739 /nfs/dbraw/zinc/53/07/39/600530739.db2.gz NMSPJYVPZXBQQK-OAHLLOKOSA-N -1 0 343.427 3.592 20 0 EHADRM CCN(C(=O)c1ccc2nc(C)c(C)nc2c1)c1ccccc1C(=O)[O-] ZINC000737058864 600532500 /nfs/dbraw/zinc/53/25/00/600532500.db2.gz BPSYVCALFVOGHK-UHFFFAOYSA-N -1 0 349.390 3.612 20 0 EHADRM CCN(C(=O)c1cnc(C(C)(C)C)s1)c1ccccc1C(=O)[O-] ZINC000737061796 600532591 /nfs/dbraw/zinc/53/25/91/600532591.db2.gz JIYGYQORCFHMII-UHFFFAOYSA-N -1 0 332.425 3.806 20 0 EHADRM COc1ccccc1CC(C)(C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000237137315 600532599 /nfs/dbraw/zinc/53/25/99/600532599.db2.gz SCLBODUGDYCMPE-UHFFFAOYSA-N -1 0 327.380 3.601 20 0 EHADRM C[C@H]1CCC[C@H](OCC(=O)Nc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000736773916 600533047 /nfs/dbraw/zinc/53/30/47/600533047.db2.gz CSTGDVQLYYEXHA-JQWIXIFHSA-N -1 0 325.792 3.572 20 0 EHADRM COc1ccccc1CC(C)(C)C(=O)Oc1cccc(C(=O)[O-])c1 ZINC000738124882 600533454 /nfs/dbraw/zinc/53/34/54/600533454.db2.gz UHSYBLPOLWNJDQ-UHFFFAOYSA-N -1 0 328.364 3.568 20 0 EHADRM Cc1cc(O[C@@H](C)C(=O)N[C@H](C(=O)[O-])C(C)(C)C)ccc1C(C)C ZINC000738465203 600533547 /nfs/dbraw/zinc/53/35/47/600533547.db2.gz SRSDDENGSARKQW-XJKSGUPXSA-N -1 0 335.444 3.501 20 0 EHADRM CCCc1c(C(=O)Nc2cc(C3CCCC3)[nH]n2)[nH]c(C)c1C(=O)[O-] ZINC000737043872 600538963 /nfs/dbraw/zinc/53/89/63/600538963.db2.gz OWXRFWLISPETDI-UHFFFAOYSA-N -1 0 344.415 3.607 20 0 EHADRM Cc1cc(-c2ccccc2)ccc1NC(=O)N1CCC(C(=O)[O-])CC1 ZINC000562807347 600556215 /nfs/dbraw/zinc/55/62/15/600556215.db2.gz JIHVSHGEGUFSST-UHFFFAOYSA-N -1 0 338.407 3.991 20 0 EHADRM Cc1ccc(SCCNC(=O)c2ccccc2NC(=O)[O-])cc1 ZINC000738668327 600566322 /nfs/dbraw/zinc/56/63/22/600566322.db2.gz YFMDGVPPYBSZJD-UHFFFAOYSA-N -1 0 330.409 3.607 20 0 EHADRM CC(=O)Nc1ccc(NC(=O)c2ccccc2NC(=O)[O-])cc1Cl ZINC000736159887 600566787 /nfs/dbraw/zinc/56/67/87/600566787.db2.gz OSOFTNYFNQNKGP-UHFFFAOYSA-N -1 0 347.758 3.641 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)NCCCSc1ccc(F)cc1 ZINC000740048026 600566905 /nfs/dbraw/zinc/56/69/05/600566905.db2.gz XILKJZHINTVSHG-UHFFFAOYSA-N -1 0 348.399 3.828 20 0 EHADRM Cc1nc(CCC(=O)O[C@@H](CC(C)C)C(=O)[O-])oc1-c1ccccc1 ZINC000738854210 600574097 /nfs/dbraw/zinc/57/40/97/600574097.db2.gz GRUGLBRUVLOMCF-HNNXBMFYSA-N -1 0 345.395 3.625 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000740045721 600574560 /nfs/dbraw/zinc/57/45/60/600574560.db2.gz KBFXEQYIIXRPDJ-HNNXBMFYSA-N -1 0 330.771 3.847 20 0 EHADRM CC(C)C[C@@H](OC(=O)[C@@H](C)Sc1ccccc1Cl)C(=O)[O-] ZINC000736428863 600574958 /nfs/dbraw/zinc/57/49/58/600574958.db2.gz WGWCZPORSIQCSW-ZYHUDNBSSA-N -1 0 330.833 3.863 20 0 EHADRM CC(C)[C@H](NC(=O)CCCN(C)C(=O)[O-])c1ccccc1Cl ZINC000736358302 600578956 /nfs/dbraw/zinc/57/89/56/600578956.db2.gz IPNFOQLZMZWIHW-HNNXBMFYSA-N -1 0 326.824 3.543 20 0 EHADRM COc1ccc(CS[C@H](C)CC(=O)[O-])c(Br)c1OC ZINC000738011310 600586464 /nfs/dbraw/zinc/58/64/64/600586464.db2.gz WHHFZVAZBNSPEB-MRVPVSSYSA-N -1 0 349.246 3.563 20 0 EHADRM Cn1c(CCSCc2cccc(C(=O)[O-])c2)nc2ccccc21 ZINC000739014313 600580976 /nfs/dbraw/zinc/58/09/76/600580976.db2.gz NSLOIMCFBDSMJS-UHFFFAOYSA-N -1 0 326.421 3.747 20 0 EHADRM C[C@H]1CCCC[C@H]1NC(=S)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000736783040 600582985 /nfs/dbraw/zinc/58/29/85/600582985.db2.gz FNOFTXJSCLVHSM-TVQRCGJNSA-N -1 0 326.849 3.903 20 0 EHADRM C[C@H](CC(=O)[O-])SCc1csc(COc2ccc(F)cc2)n1 ZINC000736556994 600586879 /nfs/dbraw/zinc/58/68/79/600586879.db2.gz PLRHPHMZDBWAKN-SNVBAGLBSA-N -1 0 341.429 3.958 20 0 EHADRM C[C@H](CC(=O)[O-])S[C@@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000736551334 600588357 /nfs/dbraw/zinc/58/83/57/600588357.db2.gz JJMGYIXRJNCDTQ-WOPDTQHZSA-N -1 0 335.425 3.595 20 0 EHADRM C[C@@H](CC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1 ZINC000736544420 600591109 /nfs/dbraw/zinc/59/11/09/600591109.db2.gz GNGQBMLTNKCKBR-UGSOOPFHSA-N -1 0 329.371 3.604 20 0 EHADRM Cc1cc(C(=O)CS[C@@H](C)CC(=O)[O-])c(C)n1Cc1ccccc1 ZINC000738203564 600591442 /nfs/dbraw/zinc/59/14/42/600591442.db2.gz VBRAKPHYBGRTIZ-AWEZNQCLSA-N -1 0 345.464 3.932 20 0 EHADRM C[C@H](CC(=O)[O-])SCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000736550464 600594526 /nfs/dbraw/zinc/59/45/26/600594526.db2.gz FCGRUSZXNHISNC-SJKOYZFVSA-N -1 0 349.477 3.550 20 0 EHADRM CN(C(=O)CC(C)(C)c1ccccc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737319296 600594783 /nfs/dbraw/zinc/59/47/83/600594783.db2.gz YWMNSPDWHCRZAR-SFHVURJKSA-N -1 0 325.408 3.639 20 0 EHADRM Cc1cc(C(=O)CSC[C@H](C)C(=O)[O-])c(C)n1Cc1ccccc1 ZINC000738320389 600604745 /nfs/dbraw/zinc/60/47/45/600604745.db2.gz SEUXUYXRTIRTFM-ZDUSSCGKSA-N -1 0 345.464 3.790 20 0 EHADRM C[C@H]1CCc2c(C(=O)N(CC(=O)[O-])c3ccccc3)csc2C1 ZINC000319778928 600606880 /nfs/dbraw/zinc/60/68/80/600606880.db2.gz YFOFTLNMIFOWPQ-LBPRGKRZSA-N -1 0 329.421 3.604 20 0 EHADRM CCN(C(=O)CSC[C@H](C)C(=O)[O-])c1cccc2ccccc21 ZINC000737060760 600606954 /nfs/dbraw/zinc/60/69/54/600606954.db2.gz SNFHXRFDGIZJKP-ZDUSSCGKSA-N -1 0 331.437 3.647 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC(c3ccccc3F)CC2)cc1 ZINC000583634144 600608010 /nfs/dbraw/zinc/60/80/10/600608010.db2.gz KZTGJYKDJNYJFK-UHFFFAOYSA-N -1 0 327.355 3.544 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1OC(=O)[C@H]1COc2ccccc21 ZINC000740096685 600616392 /nfs/dbraw/zinc/61/63/92/600616392.db2.gz KWKWTNUQVRCIHO-INIZCTEOSA-N -1 0 334.327 3.620 20 0 EHADRM C[C@H](C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-])C(C)(C)C ZINC000439893694 600617849 /nfs/dbraw/zinc/61/78/49/600617849.db2.gz MBMUSNJCXJRAFK-PBHICJAKSA-N -1 0 341.451 3.882 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000738963541 600619588 /nfs/dbraw/zinc/61/95/88/600619588.db2.gz LYDAVSXQXSEGSS-UHFFFAOYSA-N -1 0 347.754 3.707 20 0 EHADRM COc1cccc([C@H]2C[C@H]2C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000738095470 600619828 /nfs/dbraw/zinc/61/98/28/600619828.db2.gz IEHZMNLJXZOMON-HZPDHXFCSA-N -1 0 345.782 3.789 20 0 EHADRM CCSc1cc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)ccn1 ZINC000737230735 600621189 /nfs/dbraw/zinc/62/11/89/600621189.db2.gz BQNMDZGYFJYLFA-UHFFFAOYSA-N -1 0 336.800 3.798 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)CN(C)C(=O)[O-])[C@H]1CCC[C@@H](C)C1 ZINC000738758221 600623973 /nfs/dbraw/zinc/62/39/73/600623973.db2.gz LREFCFIKARGOCU-QIIPPGSGSA-N -1 0 332.444 3.588 20 0 EHADRM CCc1[nH]c(C(=O)N(C)CCc2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC000737237358 600624280 /nfs/dbraw/zinc/62/42/80/600624280.db2.gz ILXCDBMNOIMJPO-UHFFFAOYSA-N -1 0 348.830 3.552 20 0 EHADRM CC[C@](C)(NC(=O)Nc1cccc(NC(=O)[O-])c1)c1nccs1 ZINC000736861807 600624815 /nfs/dbraw/zinc/62/48/15/600624815.db2.gz QHNKPTAGQMNZII-HNNXBMFYSA-N -1 0 334.401 3.680 20 0 EHADRM C[C@@H]1CCC[C@@H](CCNC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)C1 ZINC000326172304 600647867 /nfs/dbraw/zinc/64/78/67/600647867.db2.gz OEOBMNLALCAZPF-KGLIPLIRSA-N -1 0 330.428 3.626 20 0 EHADRM CCCCO[C@@H](C)C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000829413287 600653367 /nfs/dbraw/zinc/65/33/67/600653367.db2.gz KPDSTYCZLBQLKM-ZANVPECISA-N -1 0 349.210 3.868 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)C2CC2)o1 ZINC000245767856 600656068 /nfs/dbraw/zinc/65/60/68/600656068.db2.gz WSHPMOLJZNHXLJ-FHIRATQRSA-N -1 0 345.439 3.785 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC000736513708 600660683 /nfs/dbraw/zinc/66/06/83/600660683.db2.gz XBYDLHYJZZALTN-DLBZAZTESA-N -1 0 329.440 3.817 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@@H]2CC(=O)[O-])cc1 ZINC000679397726 600661574 /nfs/dbraw/zinc/66/15/74/600661574.db2.gz RTICLCVYOUMRQC-FGTMMUONSA-N -1 0 329.440 3.769 20 0 EHADRM CN(CCc1cccc2ccccc21)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000179986398 600663974 /nfs/dbraw/zinc/66/39/74/600663974.db2.gz SJFUKLFIVGHPAZ-MSOLQXFVSA-N -1 0 339.435 3.732 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccc(Nc3ccccc3)nc2)C1 ZINC000739573958 600665049 /nfs/dbraw/zinc/66/50/49/600665049.db2.gz QQHRNVWDQJTBDX-ZIAGYGMSSA-N -1 0 339.395 3.655 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2F)C1 ZINC000108657309 600665342 /nfs/dbraw/zinc/66/53/42/600665342.db2.gz FASYPPDPULIXOA-RKDXNWHRSA-N -1 0 333.281 3.674 20 0 EHADRM Cc1cccc(C2(NC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)CCCC2)c1 ZINC000498635094 600665877 /nfs/dbraw/zinc/66/58/77/600665877.db2.gz NCVJMUWXPOZVIG-HOTGVXAUSA-N -1 0 329.440 3.772 20 0 EHADRM O=C([O-])[C@H](CNc1ncnc2cc(Cl)ccc21)c1ccccc1 ZINC000739502280 600671048 /nfs/dbraw/zinc/67/10/48/600671048.db2.gz NDRJNUDDJLVUIA-CQSZACIVSA-N -1 0 327.771 3.564 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000736562986 600671563 /nfs/dbraw/zinc/67/15/63/600671563.db2.gz UPCLZSFCXRKQKX-KBXCAEBGSA-N -1 0 343.398 3.679 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)c1cc2cc(Cl)ccc2o1 ZINC000739891387 600676212 /nfs/dbraw/zinc/67/62/12/600676212.db2.gz FNTFNKXMIIGLMQ-UHFFFAOYSA-N -1 0 330.723 3.933 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)CSc1ccc2c(c1)CCC2 ZINC000739891792 600676276 /nfs/dbraw/zinc/67/62/76/600676276.db2.gz ISHCUBIJSRCOCH-UHFFFAOYSA-N -1 0 342.416 3.500 20 0 EHADRM CN(C)C(=O)c1cccc(CNc2cc3ccccc3cc2C(=O)[O-])c1 ZINC000737361927 600676775 /nfs/dbraw/zinc/67/67/75/600676775.db2.gz RRDNONYLPKOKCI-UHFFFAOYSA-N -1 0 348.402 3.852 20 0 EHADRM Cc1sc(NC(=O)CNc2cccc(F)c2C(=O)[O-])c(C)c1C ZINC000738996403 600677113 /nfs/dbraw/zinc/67/71/13/600677113.db2.gz HJAHTRSKCBBEQG-UHFFFAOYSA-N -1 0 336.388 3.561 20 0 EHADRM CCO[C@@H](C)c1ncc(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)s1 ZINC000829900758 600692851 /nfs/dbraw/zinc/69/28/51/600692851.db2.gz FCGZCFWVSCXYML-VIFPVBQESA-N -1 0 345.380 3.656 20 0 EHADRM CCOc1ccc(CCc2nc(-c3cccc(C(=O)[O-])c3)no2)cc1 ZINC000830070811 600693058 /nfs/dbraw/zinc/69/30/58/600693058.db2.gz HZGIOAMYPQCQSM-UHFFFAOYSA-N -1 0 338.363 3.619 20 0 EHADRM Cc1ccc(-c2cc(-c3nc(-c4cccc(C(=O)[O-])c4)no3)n[nH]2)cc1 ZINC000832906055 600696805 /nfs/dbraw/zinc/69/68/05/600696805.db2.gz PCTQRIWEUQTLMK-UHFFFAOYSA-N -1 0 346.346 3.800 20 0 EHADRM C[C@@H](C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000826061130 600701191 /nfs/dbraw/zinc/70/11/91/600701191.db2.gz AGKHDBVIXYLBOL-BMIGLBTASA-N -1 0 336.746 3.952 20 0 EHADRM CC(C)Oc1ccccc1Cc1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000827062991 600701333 /nfs/dbraw/zinc/70/13/33/600701333.db2.gz MCBRUQXTNABEBH-UHFFFAOYSA-N -1 0 338.363 3.813 20 0 EHADRM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)c1cccc(C(=O)[O-])n1 ZINC000262444645 600701464 /nfs/dbraw/zinc/70/14/64/600701464.db2.gz VGNVGQOAWHFURD-CQSZACIVSA-N -1 0 338.407 3.783 20 0 EHADRM CCCc1ccc([C@@H](NC(=O)N2CCC[C@H](C(=O)[O-])C2)C(C)C)cc1 ZINC000737045179 600703800 /nfs/dbraw/zinc/70/38/00/600703800.db2.gz OTUMVIFFKJMXKF-ROUUACIJSA-N -1 0 346.471 3.842 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)OCc2ccoc2C(=O)[O-])c1 ZINC000826647330 600703855 /nfs/dbraw/zinc/70/38/55/600703855.db2.gz DBWODQSYMSDHQW-UHFFFAOYSA-N -1 0 330.336 3.680 20 0 EHADRM CCCCN([C@H](C)CC)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000829373459 600709869 /nfs/dbraw/zinc/70/98/69/600709869.db2.gz XDHLGOVMONZYKK-LLVKDONJSA-N -1 0 347.864 3.628 20 0 EHADRM C[C@H](OC(=O)[C@@H]1CCSc2ccccc21)c1ccc(C(=O)[O-])o1 ZINC000827826783 600709990 /nfs/dbraw/zinc/70/99/90/600709990.db2.gz PBMIBOQUARUWCG-CMPLNLGQSA-N -1 0 332.377 3.862 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC000827427516 600721670 /nfs/dbraw/zinc/72/16/70/600721670.db2.gz IBYXSVGEWVOKLZ-CXAGYDPISA-N -1 0 330.355 3.764 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000827427112 600721707 /nfs/dbraw/zinc/72/17/07/600721707.db2.gz AXJRMWKGCZMQCT-YVEFUNNKSA-N -1 0 348.345 3.903 20 0 EHADRM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)NCCCCCC(=O)[O-])C1 ZINC000414609636 600722383 /nfs/dbraw/zinc/72/23/83/600722383.db2.gz MHAKJONECBNJOT-BBRMVZONSA-N -1 0 336.407 3.563 20 0 EHADRM C[C@H](OC(=O)c1ccc(NC(=O)[O-])c(O)c1)c1c(F)cccc1F ZINC000827861412 600729838 /nfs/dbraw/zinc/72/98/38/600729838.db2.gz LPDRWXCMSLPKDX-QMMMGPOBSA-N -1 0 337.278 3.678 20 0 EHADRM CC(C)Oc1ccccc1COC(=O)c1ccc(NC(=O)[O-])c(O)c1 ZINC000827062993 600730807 /nfs/dbraw/zinc/73/08/07/600730807.db2.gz MEESZZIEJJZBJN-UHFFFAOYSA-N -1 0 345.351 3.626 20 0 EHADRM O=C([O-])[C@@H](Nc1cccc(OC(F)(F)F)c1)c1ccccc1F ZINC000833169655 600736499 /nfs/dbraw/zinc/73/64/99/600736499.db2.gz LSMJNLFAZNEVSF-ZDUSSCGKSA-N -1 0 329.249 3.962 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(CC(=O)[O-])cc1)c1cc(F)ccc1F ZINC000736913979 600744647 /nfs/dbraw/zinc/74/46/47/600744647.db2.gz KURSSCMOLIJYFC-INIZCTEOSA-N -1 0 348.349 3.865 20 0 EHADRM CCc1ccccc1CNC(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000737271735 600745213 /nfs/dbraw/zinc/74/52/13/600745213.db2.gz GMTCQNFUEKPZPB-UHFFFAOYSA-N -1 0 327.384 3.685 20 0 EHADRM CC1(C)CCC(NC(=O)NCCc2ccc(NC(=O)[O-])cc2)CC1 ZINC000828060095 600751734 /nfs/dbraw/zinc/75/17/34/600751734.db2.gz FKKYNQSVFNUWES-UHFFFAOYSA-N -1 0 333.432 3.587 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)N[C@H]2C[C@H]2C2CCCCC2)cc1 ZINC000833287228 600774157 /nfs/dbraw/zinc/77/41/57/600774157.db2.gz GJGWWBHRUFNZJG-IRXDYDNUSA-N -1 0 345.443 3.587 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(C(=O)NC(C)(C)CC(=O)[O-])cc1F ZINC000738396782 600777948 /nfs/dbraw/zinc/77/79/48/600777948.db2.gz JRDPORMYILIJHV-UHFFFAOYSA-N -1 0 347.361 3.923 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)[C@H]2C[C@@]23CCCc2ccccc23)cc1 ZINC000833291166 600785873 /nfs/dbraw/zinc/78/58/73/600785873.db2.gz YWTAREMRLAJEIH-YLJYHZDGSA-N -1 0 337.375 3.976 20 0 EHADRM CCOc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000776672283 600801327 /nfs/dbraw/zinc/80/13/27/600801327.db2.gz IFDWLVVQEXIYDI-INIZCTEOSA-N -1 0 347.798 3.685 20 0 EHADRM CCC(C)(C)CC(=O)Oc1ccc(C(=O)[O-])cc1Br ZINC000828609068 600801532 /nfs/dbraw/zinc/80/15/32/600801532.db2.gz LLOJSOSDYLSRES-UHFFFAOYSA-N -1 0 329.190 3.879 20 0 EHADRM Cc1ccc2c(CCC(=O)Oc3ccc(CC(=O)[O-])cc3)c[nH]c2c1 ZINC000832961111 600801980 /nfs/dbraw/zinc/80/19/80/600801980.db2.gz ZTWQDZBHALITLV-UHFFFAOYSA-N -1 0 337.375 3.642 20 0 EHADRM Cc1ccc(C)c(S[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)c1 ZINC000832925522 600804516 /nfs/dbraw/zinc/80/45/16/600804516.db2.gz OSZQYEUFTDQYSW-ZDUSSCGKSA-N -1 0 347.461 3.961 20 0 EHADRM Cc1ccccc1CS[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000832978054 600804986 /nfs/dbraw/zinc/80/49/86/600804986.db2.gz GUWHCURCVZNGFJ-CQSZACIVSA-N -1 0 347.461 3.793 20 0 EHADRM Cc1[nH]c(C(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)c(C)c1C(=O)[O-] ZINC000832843384 600810206 /nfs/dbraw/zinc/81/02/06/600810206.db2.gz LAPOMVDTPKKKEX-MFKMUULPSA-N -1 0 330.384 3.536 20 0 EHADRM COc1cc(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)c(C(=O)[O-])cc1OC ZINC000737892996 600823732 /nfs/dbraw/zinc/82/37/32/600823732.db2.gz UMHADEQNOSQLRZ-QWHCGFSZSA-N -1 0 347.411 3.557 20 0 EHADRM CC(C)CO[C@H](C)c1noc(CNc2cccc(NC(=O)[O-])c2)n1 ZINC000826895432 600825631 /nfs/dbraw/zinc/82/56/31/600825631.db2.gz OKKXWTCHGOIGGK-LLVKDONJSA-N -1 0 334.376 3.505 20 0 EHADRM Cc1oc(COC(=O)CCc2c[nH]c3c2cccc3C)cc1C(=O)[O-] ZINC000738984437 600827072 /nfs/dbraw/zinc/82/70/72/600827072.db2.gz VDDNVOGASLMETJ-UHFFFAOYSA-N -1 0 341.363 3.752 20 0 EHADRM Cc1c(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)cccc1C(=O)[O-] ZINC000675965828 600830558 /nfs/dbraw/zinc/83/05/58/600830558.db2.gz BITQYNRZNFAMTM-TZMCWYRMSA-N -1 0 331.318 3.714 20 0 EHADRM CC(C)CNc1nnc(S[C@@H](C(=O)[O-])c2ccccc2F)s1 ZINC000826890896 600834434 /nfs/dbraw/zinc/83/44/34/600834434.db2.gz DRDYGDGQJHRFCJ-LLVKDONJSA-N -1 0 341.433 3.663 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)c1 ZINC000740042367 600834541 /nfs/dbraw/zinc/83/45/41/600834541.db2.gz GKBQEHSQEIJHSC-QWHCGFSZSA-N -1 0 332.306 3.797 20 0 EHADRM O=C([O-])[C@@H](Sc1nnc(C2CC2)n1C1CC1)c1ccccc1F ZINC000833170878 600835372 /nfs/dbraw/zinc/83/53/72/600835372.db2.gz ULPBMOKBHPCRQL-ZDUSSCGKSA-N -1 0 333.388 3.548 20 0 EHADRM Cn1c(S[C@@H](C(=O)[O-])c2ccccc2F)nnc1-c1cccs1 ZINC000833039615 600836134 /nfs/dbraw/zinc/83/61/34/600836134.db2.gz OETYURBIVVOPOL-GFCCVEGCSA-N -1 0 349.412 3.601 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000675948999 600837432 /nfs/dbraw/zinc/83/74/32/600837432.db2.gz YSNJHROGGAOEAR-KURKYZTESA-N -1 0 345.439 3.544 20 0 EHADRM Cc1ccc(CCN(Cc2occc2C(=O)[O-])CC(F)(F)F)cc1 ZINC000832929542 600840023 /nfs/dbraw/zinc/84/00/23/600840023.db2.gz BEMGZJWZUONWPE-UHFFFAOYSA-N -1 0 341.329 3.893 20 0 EHADRM O=C([O-])c1ccccc1CSc1nnc(CCc2ccccc2)o1 ZINC000833332484 600846443 /nfs/dbraw/zinc/84/64/43/600846443.db2.gz BZZKFWYCFUGXOU-UHFFFAOYSA-N -1 0 340.404 3.845 20 0 EHADRM C[C@@H](CC(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21)c1cccc(F)c1 ZINC000736545953 600847829 /nfs/dbraw/zinc/84/78/29/600847829.db2.gz UCVYDQFCZBFJRY-DZGCQCFKSA-N -1 0 341.382 3.924 20 0 EHADRM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000262559705 600848365 /nfs/dbraw/zinc/84/83/65/600848365.db2.gz ZGYBAPPOROMPIR-ROUUACIJSA-N -1 0 339.391 3.800 20 0 EHADRM Cc1c(Br)cccc1C(=O)Nc1ccccc1C(=O)[O-] ZINC000088440153 600849049 /nfs/dbraw/zinc/84/90/49/600849049.db2.gz OMGQWVDURNNIIX-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)c1cc(OCc2ccccc2)ccn1 ZINC000833160728 600850178 /nfs/dbraw/zinc/85/01/78/600850178.db2.gz PQYGULLJQRMGBL-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM Cc1c(NC(=O)[C@H](C)CC(=O)c2ccccc2F)cccc1C(=O)[O-] ZINC000832857218 600857016 /nfs/dbraw/zinc/85/70/16/600857016.db2.gz HREBWDZMNBZYFS-LLVKDONJSA-N -1 0 343.354 3.680 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)C[C@@H]2CCc3ccccc3C2)c2ccccc21 ZINC000739640637 600857244 /nfs/dbraw/zinc/85/72/44/600857244.db2.gz FKGMXQUOHQXFMC-CRAIPNDOSA-N -1 0 349.430 3.787 20 0 EHADRM C/C(=C/C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21)c1cccc(F)c1 ZINC000736120989 600859038 /nfs/dbraw/zinc/85/90/38/600859038.db2.gz NLDMTAGWUCVUTE-UZGISAJGSA-N -1 0 339.366 3.834 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@]1(C)CCc2ccccc2C1 ZINC000830815053 600859342 /nfs/dbraw/zinc/85/93/42/600859342.db2.gz ULTIVQHFEBDROI-OAQYLSRUSA-N -1 0 337.419 3.538 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)CCc2ccc(Cl)s2)c2ccccc21 ZINC000739642958 600861338 /nfs/dbraw/zinc/86/13/38/600861338.db2.gz RSWNXAKKJWLSFF-NSHDSACASA-N -1 0 349.839 3.939 20 0 EHADRM Cc1ccc2cccc(C(=O)N3C[C@H](CC(=O)[O-])c4ccccc43)c2n1 ZINC000738674829 600862225 /nfs/dbraw/zinc/86/22/25/600862225.db2.gz BNZMXAMYBWFKOX-HNNXBMFYSA-N -1 0 346.386 3.762 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000739641641 600863733 /nfs/dbraw/zinc/86/37/33/600863733.db2.gz KZSQQLXNXBQLDO-COXVUDFISA-N -1 0 339.366 3.534 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)NC3(C(=O)[O-])CCCC3)o2)cc1 ZINC000236987164 600866018 /nfs/dbraw/zinc/86/60/18/600866018.db2.gz FRDIUNWBUYNCGS-UHFFFAOYSA-N -1 0 327.380 3.636 20 0 EHADRM Cc1noc(C(F)F)c1C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000833019482 600868770 /nfs/dbraw/zinc/86/87/70/600868770.db2.gz MOBMRRCWQXKGBA-SNVBAGLBSA-N -1 0 345.685 3.557 20 0 EHADRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)c1cccc2cc[nH]c21 ZINC000346014638 600870275 /nfs/dbraw/zinc/87/02/75/600870275.db2.gz KAKCBXZVWYNUPQ-UHFFFAOYSA-N -1 0 342.782 3.548 20 0 EHADRM C[C@@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)CC1CCC1 ZINC000827956510 600871934 /nfs/dbraw/zinc/87/19/34/600871934.db2.gz HRHXENGGAVQJSC-ZDUSSCGKSA-N -1 0 342.395 3.653 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@@H]2SCCc3ccccc32)cc1 ZINC000238045565 600877965 /nfs/dbraw/zinc/87/79/65/600877965.db2.gz DTBGIWGFXGKXLG-GOSISDBHSA-N -1 0 341.432 3.673 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Cc2cccc(Cl)c2)cc1 ZINC000321150819 600879101 /nfs/dbraw/zinc/87/91/01/600879101.db2.gz GORZHFMKTNYIEB-UHFFFAOYSA-N -1 0 331.799 3.883 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@H]2Cc3ccccc3S2)cc1 ZINC000261602671 600880737 /nfs/dbraw/zinc/88/07/37/600880737.db2.gz BVOFTTQULRHALT-MRXNPFEDSA-N -1 0 341.432 3.704 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2cc(Cl)cc3cccnc32)C1 ZINC000323486262 600881810 /nfs/dbraw/zinc/88/18/10/600881810.db2.gz QXAMNUNNGYSJDK-VXGBXAGGSA-N -1 0 332.787 3.718 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000829004156 600883843 /nfs/dbraw/zinc/88/38/43/600883843.db2.gz AZSJFZSFXUOOJJ-MMNPAVHPSA-N -1 0 345.439 3.575 20 0 EHADRM CC(C)Oc1ccc([C@H](C)NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000245743241 600885513 /nfs/dbraw/zinc/88/55/13/600885513.db2.gz RXYRCFQIQUMYJF-CWRNSKLLSA-N -1 0 333.428 3.542 20 0 EHADRM CC(C)CN(CCc1ccccc1)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000826881087 600886153 /nfs/dbraw/zinc/88/61/53/600886153.db2.gz CXLLJLMDPRJEBF-ZWKOTPCHSA-N -1 0 331.456 3.605 20 0 EHADRM CCCCOc1ccc(OC)cc1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000262566104 600888663 /nfs/dbraw/zinc/88/86/63/600888663.db2.gz LKZHTRSMSCONTH-UONOGXRCSA-N -1 0 349.427 3.704 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2cccnc2Oc2ccccc2)C1 ZINC000833188228 600889597 /nfs/dbraw/zinc/88/95/97/600889597.db2.gz WZFIDENIYXJSAQ-KGLIPLIRSA-N -1 0 340.379 3.703 20 0 EHADRM C[C@@]1(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)CCc2ccccc2C1 ZINC000827965743 600893172 /nfs/dbraw/zinc/89/31/72/600893172.db2.gz HWULATRJDBQFNV-VGOFRKELSA-N -1 0 349.430 3.787 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H]2CCc2ccccc2)C1 ZINC000245726882 600896480 /nfs/dbraw/zinc/89/64/80/600896480.db2.gz PPWQPLHOSNFLII-RCCFBDPRSA-N -1 0 329.440 3.501 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000035426063 600898509 /nfs/dbraw/zinc/89/85/09/600898509.db2.gz YSUUWMSLAMENNY-UHFFFAOYSA-N -1 0 330.192 3.934 20 0 EHADRM O=C([O-])c1ccc(NC(=O)COc2ccc3ccccc3c2)s1 ZINC000833115179 600900081 /nfs/dbraw/zinc/90/00/81/600900081.db2.gz BSDXMCZJZIPGRM-UHFFFAOYSA-N -1 0 327.361 3.617 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2cccc(N3CCCCC3)c2)C1 ZINC000833187191 600908422 /nfs/dbraw/zinc/90/84/22/600908422.db2.gz QMEMEJWPWOYBOS-HUUCEWRRSA-N -1 0 330.428 3.506 20 0 EHADRM CCC(CC)(NC(=O)Cc1coc2ccc3ccccc3c12)C(=O)[O-] ZINC000567541983 600924247 /nfs/dbraw/zinc/92/42/47/600924247.db2.gz WPBPEFGBGHLQAM-UHFFFAOYSA-N -1 0 339.391 3.888 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1ccc(-c2ccccc2F)o1)C(=O)[O-] ZINC000262437779 600926445 /nfs/dbraw/zinc/92/64/45/600926445.db2.gz FVNBBLMXKHMQCN-GFCCVEGCSA-N -1 0 333.359 3.562 20 0 EHADRM CC(C)(CNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccccc1Cl ZINC000179998715 600927045 /nfs/dbraw/zinc/92/70/45/600927045.db2.gz XEFOMVYEXLDVCH-STQMWFEESA-N -1 0 337.847 3.625 20 0 EHADRM CCC(CC)(CNC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)c1ccccc1 ZINC000828814959 600931544 /nfs/dbraw/zinc/93/15/44/600931544.db2.gz AFOANSLRNNDANI-UHFFFAOYSA-N -1 0 342.439 3.818 20 0 EHADRM CCCC[C@H](Sc1nnc(-c2sc(C)nc2C)o1)C(=O)[O-] ZINC000736983546 600936879 /nfs/dbraw/zinc/93/68/79/600936879.db2.gz ANIDQQSPVMEBTC-VIFPVBQESA-N -1 0 327.431 3.545 20 0 EHADRM O=C([O-])c1ccc(Cl)cc1OC(=O)CCC(=O)c1ccccc1 ZINC000833096517 600939415 /nfs/dbraw/zinc/93/94/15/600939415.db2.gz NWVYBLLVCWZVOQ-UHFFFAOYSA-N -1 0 332.739 3.607 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N(Cc2cccc(F)c2)C2CCCC2)C1 ZINC000833181767 600943030 /nfs/dbraw/zinc/94/30/30/600943030.db2.gz KGCWTFQKRAGCSM-HOTGVXAUSA-N -1 0 347.430 3.988 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N(Cc2cscn2)c2ccccc2)C1 ZINC000833186557 600943105 /nfs/dbraw/zinc/94/31/05/600943105.db2.gz SIPGNULNBBJEOI-ZIAGYGMSSA-N -1 0 344.436 3.567 20 0 EHADRM CC(C)C[C@H](OC(=O)c1ccc(C2SCCS2)cc1)C(=O)[O-] ZINC000826820737 600954550 /nfs/dbraw/zinc/95/45/50/600954550.db2.gz TXSMRWMPAKTVIW-ZDUSSCGKSA-N -1 0 340.466 3.821 20 0 EHADRM CC(C)C[C@@H](OC(=O)c1csc(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000826818784 600956586 /nfs/dbraw/zinc/95/65/86/600956586.db2.gz DGFGRBUMJSRTIE-CYBMUJFWSA-N -1 0 337.372 3.605 20 0 EHADRM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000647160647 600956835 /nfs/dbraw/zinc/95/68/35/600956835.db2.gz VZGWJESKOBCPJE-IJEWVQPXSA-N -1 0 337.847 3.668 20 0 EHADRM O=C([O-])C[C@H]1CN(Cc2nccn2Cc2ccccc2)c2ccccc21 ZINC000739652573 600959471 /nfs/dbraw/zinc/95/94/71/600959471.db2.gz ATCCWSYZARCKIH-KRWDZBQOSA-N -1 0 347.418 3.510 20 0 EHADRM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)o1 ZINC000832929054 600962608 /nfs/dbraw/zinc/96/26/08/600962608.db2.gz JIKAISLSLTWYEF-IINYFYTJSA-N -1 0 344.411 3.845 20 0 EHADRM O=C([O-])C[C@@H]1CN(Cc2cc(Cl)nc(Cl)c2)c2ccccc21 ZINC000739654821 600964430 /nfs/dbraw/zinc/96/44/30/600964430.db2.gz XXSFUNDQFDTROV-LLVKDONJSA-N -1 0 337.206 3.967 20 0 EHADRM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2ccc(C(=O)[O-])cn2)o1 ZINC000190664385 600967342 /nfs/dbraw/zinc/96/73/42/600967342.db2.gz ZVIJSHBFRBFOHQ-MLGOLLRUSA-N -1 0 342.395 3.549 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)s1 ZINC000833318535 600967808 /nfs/dbraw/zinc/96/78/08/600967808.db2.gz JFNUDZNIOVVUHF-FZKQIMNGSA-N -1 0 327.405 3.679 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000180008314 600968531 /nfs/dbraw/zinc/96/85/31/600968531.db2.gz ACYBLBQVBFHOBA-SQNIBIBYSA-N -1 0 329.440 3.940 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1sccc1C(=O)[O-] ZINC000829009732 600970350 /nfs/dbraw/zinc/97/03/50/600970350.db2.gz NLAPEELUKMUTFS-GVXVVHGQSA-N -1 0 325.430 3.759 20 0 EHADRM CCOc1cccc(NC(=S)Nc2ccc(CC(=O)[O-])cc2)c1 ZINC000830104233 600970562 /nfs/dbraw/zinc/97/05/62/600970562.db2.gz BVRKPZJUKSWKFQ-UHFFFAOYSA-N -1 0 330.409 3.521 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)[C@H]1SCCc2sccc21 ZINC000833298701 600971147 /nfs/dbraw/zinc/97/11/47/600971147.db2.gz BPYWLWLELIITOX-ZDUSSCGKSA-N -1 0 337.397 3.555 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)C1CCC(c2ccccc2)CC1 ZINC000679397397 600971288 /nfs/dbraw/zinc/97/12/88/600971288.db2.gz LQJODNWISFCSGL-DAWZGUTISA-N -1 0 329.440 3.816 20 0 EHADRM C[C@@H]1CN(Cc2ccc(F)cc2C(=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000565662930 600971822 /nfs/dbraw/zinc/97/18/22/600971822.db2.gz RNRFSTNQVYNOGC-KZULUSFZSA-N -1 0 347.361 3.625 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc(OC3CCCC3)c(F)c2)C1 ZINC000180024656 600973370 /nfs/dbraw/zinc/97/33/70/600973370.db2.gz HZZHJMZAYLSQOV-OLZOCXBDSA-N -1 0 349.402 3.977 20 0 EHADRM CCOc1c(F)cccc1C(=O)N(CC)c1ccccc1C(=O)[O-] ZINC000830027289 600973649 /nfs/dbraw/zinc/97/36/49/600973649.db2.gz WEJRYCNXNBMLET-UHFFFAOYSA-N -1 0 331.343 3.589 20 0 EHADRM COc1ccc(Cl)cc1CN(C)[C@@H](C(=O)[O-])c1ccccc1F ZINC000832367585 600984500 /nfs/dbraw/zinc/98/45/00/600984500.db2.gz JAFBPUNRWLZZBQ-MRXNPFEDSA-N -1 0 337.778 3.745 20 0 EHADRM CN(Cc1cscn1)[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000830869995 600992177 /nfs/dbraw/zinc/99/21/77/600992177.db2.gz XNCTVLHEACQLQQ-LBPRGKRZSA-N -1 0 331.224 3.708 20 0 EHADRM O=C([O-])[C@H](N[C@H](c1nccs1)c1ccccc1)c1ccccc1F ZINC000833168708 600993775 /nfs/dbraw/zinc/99/37/75/600993775.db2.gz ZITUCDJZCNCTML-JKSUJKDBSA-N -1 0 342.395 3.787 20 0 EHADRM Cc1sc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])c(C(=O)[O-])c1C ZINC000321114197 600994076 /nfs/dbraw/zinc/99/40/76/600994076.db2.gz RDGUBPRXXSRAKL-UHFFFAOYSA-N -1 0 334.353 3.532 20 0 EHADRM Cc1ccc(Br)cc1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000087741829 600994519 /nfs/dbraw/zinc/99/45/19/600994519.db2.gz FVYUNJHILJTZAA-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@H](C)c1cccc(Cl)c1 ZINC000737858494 600995086 /nfs/dbraw/zinc/99/50/86/600995086.db2.gz LYWWHADQXZVWNR-SNVBAGLBSA-N -1 0 334.755 3.756 20 0 EHADRM Cc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000087741861 600996564 /nfs/dbraw/zinc/99/65/64/600996564.db2.gz SVXNKGKBFVPUDX-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM Cc1ccc(-c2ocnc2C(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC000738493804 600997890 /nfs/dbraw/zinc/99/78/90/600997890.db2.gz FEJRJRCPTGTRSH-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1CCSc2ccccc21)c1ccccc1 ZINC000738563012 600998832 /nfs/dbraw/zinc/99/88/32/600998832.db2.gz FSZJHYVIJVTYRL-HOTGVXAUSA-N -1 0 341.432 3.598 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(OCC(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000499197241 601003056 /nfs/dbraw/zinc/00/30/56/601003056.db2.gz YQTMISKRELXFEO-LLVKDONJSA-N -1 0 333.771 3.546 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cc2cccc(F)c2o1)c1ccc(F)cc1 ZINC000675947111 601005653 /nfs/dbraw/zinc/00/56/53/601005653.db2.gz FZAKFMICKQIPHA-CQSZACIVSA-N -1 0 345.301 3.657 20 0 EHADRM C[C@H](CN(C(=O)[C@H](C)c1ccccc1C(F)(F)F)C1CC1)C(=O)[O-] ZINC000736563402 601007249 /nfs/dbraw/zinc/00/72/49/601007249.db2.gz PKKIHMHYWMLDNX-GHMZBOCLSA-N -1 0 343.345 3.521 20 0 EHADRM CC1(C)CN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CCCO1 ZINC000828074828 601012767 /nfs/dbraw/zinc/01/27/67/601012767.db2.gz SSAQQIRYOIHHSZ-CYBMUJFWSA-N -1 0 332.227 3.620 20 0 EHADRM O=C([O-])C[C@@H]1CN(Cc2cc3c(c(Cl)c2)OCO3)c2ccccc21 ZINC000325178431 601014830 /nfs/dbraw/zinc/01/48/30/601014830.db2.gz AYJFWPHUYLNNEA-GFCCVEGCSA-N -1 0 345.782 3.647 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1cccc(C(=O)[O-])c1C)c1nc(C)cs1 ZINC000828685008 601015015 /nfs/dbraw/zinc/01/50/15/601015015.db2.gz BNPCNMGYNWJWJT-QGZVFWFLSA-N -1 0 347.440 3.905 20 0 EHADRM Cc1csc([C@H](NC(=O)Nc2cccc(C(=O)[O-])c2C)C2CC2)n1 ZINC000832988756 601016022 /nfs/dbraw/zinc/01/60/22/601016022.db2.gz GDGNMSGMYGSCPS-CQSZACIVSA-N -1 0 345.424 3.731 20 0 EHADRM C[C@H](C(=O)Nc1ccc(CNC(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000736215835 601017768 /nfs/dbraw/zinc/01/77/68/601017768.db2.gz OKHOXWIXDVVTFC-NSHDSACASA-N -1 0 332.787 3.850 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)[C@H]2CCSc3ccccc32)cc1 ZINC000739986104 601018514 /nfs/dbraw/zinc/01/85/14/601018514.db2.gz MPKYCINUGLKJGR-HNNXBMFYSA-N -1 0 342.420 3.672 20 0 EHADRM C[C@H](C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC000736202519 601019042 /nfs/dbraw/zinc/01/90/42/601019042.db2.gz NPXORYDYVPTDJI-LRDDRELGSA-N -1 0 331.799 3.728 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000739891509 601022259 /nfs/dbraw/zinc/02/22/59/601022259.db2.gz HVPLDKFUFKZHIT-UHFFFAOYSA-N -1 0 340.306 3.932 20 0 EHADRM CC(C)(CC(=O)[O-])NC(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC000736310883 601025109 /nfs/dbraw/zinc/02/51/09/601025109.db2.gz YNCZEUNGOMLDKX-SFHVURJKSA-N -1 0 339.435 3.773 20 0 EHADRM Cc1ccc(CC[C@H](C)NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)o1 ZINC000832930915 601026909 /nfs/dbraw/zinc/02/69/09/601026909.db2.gz SUQMZGWLNAMBHR-JTQLQIEISA-N -1 0 334.347 3.568 20 0 EHADRM Cc1ccc(CC[C@@H](C)NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)o1 ZINC000832930916 601027060 /nfs/dbraw/zinc/02/70/60/601027060.db2.gz SUQMZGWLNAMBHR-SNVBAGLBSA-N -1 0 334.347 3.568 20 0 EHADRM Cc1cc(C)cc(C[C@H](C)NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC000832877831 601027118 /nfs/dbraw/zinc/02/71/18/601027118.db2.gz ZXSWZYLSVKEWAD-ZDUSSCGKSA-N -1 0 344.386 3.893 20 0 EHADRM Cc1cc(OC(C)C)ccc1NC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000567580978 601027402 /nfs/dbraw/zinc/02/74/02/601027402.db2.gz IWACFZUIBPGBQT-CQSZACIVSA-N -1 0 336.432 3.651 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1 ZINC000830514434 601030396 /nfs/dbraw/zinc/03/03/96/601030396.db2.gz RTUSZCVZNVRWPA-KCQAQPDRSA-N -1 0 331.416 3.891 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1cccc(SC(F)F)c1)C(=O)[O-] ZINC000818624556 601037185 /nfs/dbraw/zinc/03/71/85/601037185.db2.gz SYYZEZKDVBUCKD-JTQLQIEISA-N -1 0 346.399 3.870 20 0 EHADRM O=C([O-])c1cnc(N(C(=O)c2cc3c(s2)CCCC3)C2CC2)s1 ZINC000740261087 601038008 /nfs/dbraw/zinc/03/80/08/601038008.db2.gz UTPURRJBIMQQHM-UHFFFAOYSA-N -1 0 348.449 3.591 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1cccc(C(=O)[O-])c1 ZINC000237010842 601044717 /nfs/dbraw/zinc/04/47/17/601044717.db2.gz YMPPLHMVXPVPIM-SFHVURJKSA-N -1 0 325.408 3.787 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(CCC(=O)[O-])cc1)Cc1cccs1 ZINC000827486519 601046106 /nfs/dbraw/zinc/04/61/06/601046106.db2.gz ONSFIVWRHUJRQO-CYBMUJFWSA-N -1 0 346.452 3.766 20 0 EHADRM CC(C)(C)c1ccccc1S(=O)(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000736299246 601047020 /nfs/dbraw/zinc/04/70/20/601047020.db2.gz KVBLSTLGRFDNTK-UHFFFAOYSA-N -1 0 348.424 3.875 20 0 EHADRM CCC[C@H]1[C@@H](C)CCCN1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000829245189 601053069 /nfs/dbraw/zinc/05/30/69/601053069.db2.gz GKOJDEQDSWYFMW-BBRMVZONSA-N -1 0 333.432 3.887 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1c[nH]cc1-c1ccc(F)cc1 ZINC000739666275 601055314 /nfs/dbraw/zinc/05/53/14/601055314.db2.gz MCPOWQDEBWYJCI-UHFFFAOYSA-N -1 0 332.375 3.586 20 0 EHADRM C[C@H](C(=O)N1CCC(CC(=O)[O-])CC1)c1ccccc1C(F)(F)F ZINC000736205051 601057134 /nfs/dbraw/zinc/05/71/34/601057134.db2.gz MNHOQZDWICQTDW-NSHDSACASA-N -1 0 343.345 3.522 20 0 EHADRM Cc1c(NC(=O)[C@@H](C)CCOc2ccccc2)cccc1C(=O)[O-] ZINC000675967010 601058892 /nfs/dbraw/zinc/05/88/92/601058892.db2.gz WFNGRQJPQFKEPG-ZDUSSCGKSA-N -1 0 327.380 3.737 20 0 EHADRM Cc1ccc2c(CCC(=O)NC3(C(=O)[O-])CCCCCC3)c[nH]c2c1 ZINC000832960062 601059220 /nfs/dbraw/zinc/05/92/20/601059220.db2.gz LJEGZHAUINTWNW-UHFFFAOYSA-N -1 0 342.439 3.703 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cccc(O)c1)c1ccc(Cl)cc1Cl ZINC000833349132 601063220 /nfs/dbraw/zinc/06/32/20/601063220.db2.gz BSGQIXWFVKMVMN-CYBMUJFWSA-N -1 0 341.146 3.682 20 0 EHADRM Cc1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1C(=O)[O-] ZINC000235886205 601064810 /nfs/dbraw/zinc/06/48/10/601064810.db2.gz HJLZRMWFTIHVOO-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM O=C([O-])[C@@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1F ZINC000833171129 601065087 /nfs/dbraw/zinc/06/50/87/601065087.db2.gz VQESGYOLDRJRMK-RTLPCREESA-N -1 0 332.371 3.711 20 0 EHADRM CCC[C@H](CC1CCCC1)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000486267995 601068038 /nfs/dbraw/zinc/06/80/38/601068038.db2.gz GZPBJTYRBYYTKJ-QZTJIDSGSA-N -1 0 331.456 3.968 20 0 EHADRM CC[C@H](C)N(C)C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000828753149 601073735 /nfs/dbraw/zinc/07/37/35/601073735.db2.gz GSKCPOGUGQPQAH-ZETCQYMHSA-N -1 0 347.184 3.549 20 0 EHADRM CC[C@H](C)[C@H](C(=O)NC[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000261696426 601074747 /nfs/dbraw/zinc/07/47/47/601074747.db2.gz OFXJMMKUQFFGSE-SNRMKQJTSA-N -1 0 339.435 3.801 20 0 EHADRM CCSCc1ccc(C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000262557613 601079445 /nfs/dbraw/zinc/07/94/45/601079445.db2.gz YRSATUVKWWTBMK-QGZVFWFLSA-N -1 0 343.448 3.538 20 0 EHADRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)C=C(C1CC1)C1CC1 ZINC000833177911 601086951 /nfs/dbraw/zinc/08/69/51/601086951.db2.gz SLDDCILUVZXNTR-FUHWJXTLSA-N -1 0 331.456 3.615 20 0 EHADRM Cc1[nH]c(C(=O)Nc2ccc(F)cc2NC(C)C)c(C)c1C(=O)[O-] ZINC000738155925 601093549 /nfs/dbraw/zinc/09/35/49/601093549.db2.gz FUABXKYVCBJUEC-UHFFFAOYSA-N -1 0 333.363 3.541 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NC/C=C/c2ccccc2)cc1 ZINC000826122720 601094486 /nfs/dbraw/zinc/09/44/86/601094486.db2.gz LMNVFONPMHGKBG-RMKNXTFCSA-N -1 0 338.407 3.884 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1cccc2cc[nH]c21 ZINC000833180031 601095725 /nfs/dbraw/zinc/09/57/25/601095725.db2.gz SIOICJROMSMQNJ-NVXWUHKLSA-N -1 0 340.423 3.664 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@@H]1CCCc2ccccc21)c1ccccc1F ZINC000833351336 601098473 /nfs/dbraw/zinc/09/84/73/601098473.db2.gz QACKCKYBQMBBOH-RHSMWYFYSA-N -1 0 328.339 3.615 20 0 EHADRM Cn1ccc2ccc(NC(=O)N[C@H](CC(=O)[O-])c3cccs3)cc21 ZINC000833056334 601098675 /nfs/dbraw/zinc/09/86/75/601098675.db2.gz OLLQPVUPJALDBY-CYBMUJFWSA-N -1 0 343.408 3.577 20 0 EHADRM Cc1[nH]c(C(=O)N2CC[C@@H](C)[C@@H]2c2cccc(F)c2)c(C)c1C(=O)[O-] ZINC000832843210 601108267 /nfs/dbraw/zinc/10/82/67/601108267.db2.gz KGGFKJCFCUXYJZ-BMLIUANNSA-N -1 0 344.386 3.692 20 0 EHADRM CCCOc1cccc(C(=O)O[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000829538038 601111932 /nfs/dbraw/zinc/11/19/32/601111932.db2.gz SDIZNMNOCBYOTM-INIZCTEOSA-N -1 0 332.327 3.597 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000190872240 601114216 /nfs/dbraw/zinc/11/42/16/601114216.db2.gz TZFYZGJSKDGNTQ-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1Cc2ccccc2[C@@H]1C ZINC000832918614 601117466 /nfs/dbraw/zinc/11/74/66/601117466.db2.gz WSBAVLADUVGFHK-UONOGXRCSA-N -1 0 338.407 3.597 20 0 EHADRM CC[C@H](Oc1ccccc1F)C(=O)Nc1cc(C)c(C(=O)[O-])s1 ZINC000829020440 601126502 /nfs/dbraw/zinc/12/65/02/601126502.db2.gz FNPPROZIQBJPBI-NSHDSACASA-N -1 0 337.372 3.690 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)NC3(CC(=O)[O-])CCC3)ccc21 ZINC000649538849 601127201 /nfs/dbraw/zinc/12/72/01/601127201.db2.gz APKPLIBCHVCJAC-UHFFFAOYSA-N -1 0 343.427 3.816 20 0 EHADRM CSc1ccc(NC(=O)NC2(CC(=O)[O-])CCC2)cc1Cl ZINC000649541104 601133060 /nfs/dbraw/zinc/13/30/60/601133060.db2.gz QYFPGHPNYCCFTP-UHFFFAOYSA-N -1 0 328.821 3.581 20 0 EHADRM CCOc1ccc(CN(C)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000830074954 601137517 /nfs/dbraw/zinc/13/75/17/601137517.db2.gz BIIMHGKATFEAKL-UHFFFAOYSA-N -1 0 342.395 3.756 20 0 EHADRM Cc1ccc(NC(=O)N[C@H]2C[C@H]2c2cccc(F)c2)cc1C(=O)[O-] ZINC000832946972 601139851 /nfs/dbraw/zinc/13/98/51/601139851.db2.gz MZNUGRWWYQJANO-HOTGVXAUSA-N -1 0 328.343 3.510 20 0 EHADRM CCCCOc1ccc(C(=O)N(CC(=O)[O-])c2cccc(F)c2)cc1 ZINC000829421900 601141452 /nfs/dbraw/zinc/14/14/52/601141452.db2.gz MIXKHKWRZZLFCW-UHFFFAOYSA-N -1 0 345.370 3.736 20 0 EHADRM O=C([O-])CN(C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(F)c1 ZINC000833242596 601141556 /nfs/dbraw/zinc/14/15/56/601141556.db2.gz PRLLWAIGGCHKRJ-WDEREUQCSA-N -1 0 347.308 3.612 20 0 EHADRM C[C@@H](C(=O)N(CC(=O)[O-])c1cccc(F)c1)c1cccc(Cl)c1 ZINC000825972561 601142618 /nfs/dbraw/zinc/14/26/18/601142618.db2.gz XDRVGDWJVRAEMD-LLVKDONJSA-N -1 0 335.762 3.700 20 0 EHADRM Cc1cc2cc(C(=O)N(CC(=O)[O-])c3cccc(F)c3)oc2cc1C ZINC000832906262 601143858 /nfs/dbraw/zinc/14/38/58/601143858.db2.gz ZGKKUBUOYZHEKA-UHFFFAOYSA-N -1 0 341.338 3.920 20 0 EHADRM CCOCc1ccccc1CNC(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000830021896 601144026 /nfs/dbraw/zinc/14/40/26/601144026.db2.gz NOFGBLGEIUHQFD-UHFFFAOYSA-N -1 0 342.395 3.551 20 0 EHADRM Cc1ccc(NC(=O)N2CCc3cccc(F)c3[C@H]2C)cc1C(=O)[O-] ZINC000832945664 601144327 /nfs/dbraw/zinc/14/43/27/601144327.db2.gz HLICZMZHRBUXTO-GFCCVEGCSA-N -1 0 342.370 3.984 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC000827427374 601145369 /nfs/dbraw/zinc/14/53/69/601145369.db2.gz HCZMEIBOBLHWCF-CYBMUJFWSA-N -1 0 347.361 3.651 20 0 EHADRM O=C([O-])CN(C(=O)c1cc(Cl)cc(Cl)c1)c1cccc(F)c1 ZINC000833245433 601145403 /nfs/dbraw/zinc/14/54/03/601145403.db2.gz XZGBYPGYNGFRHX-UHFFFAOYSA-N -1 0 342.153 3.864 20 0 EHADRM O=C([O-])CN(C(=O)CC/C=C/c1ccccc1)c1cccc(F)c1 ZINC000833244355 601146044 /nfs/dbraw/zinc/14/60/44/601146044.db2.gz IABLDBBTMBCQAK-RUDMXATFSA-N -1 0 327.355 3.737 20 0 EHADRM C[C@@H](CC(=O)N(CC(=O)[O-])c1cccc(F)c1)c1ccccc1F ZINC000827217749 601146539 /nfs/dbraw/zinc/14/65/39/601146539.db2.gz IQEVHODCFHRCRJ-LBPRGKRZSA-N -1 0 333.334 3.576 20 0 EHADRM Cc1c2ccccc2oc1C(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC000832849067 601146835 /nfs/dbraw/zinc/14/68/35/601146835.db2.gz TUAUYVJJRRABRS-UHFFFAOYSA-N -1 0 327.311 3.612 20 0 EHADRM CC[C@@H](C)[C@@H](C)N(C(=O)NCCc1ccc(C(=O)[O-])cc1)C1CC1 ZINC000828708771 601147687 /nfs/dbraw/zinc/14/76/87/601147687.db2.gz NMTJPYXQORXUOB-ZIAGYGMSSA-N -1 0 332.444 3.536 20 0 EHADRM CCCCCn1nc(C)cc1NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000829373065 601148359 /nfs/dbraw/zinc/14/83/59/601148359.db2.gz DQMJRETUZYBBIQ-UHFFFAOYSA-N -1 0 330.388 3.724 20 0 EHADRM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)NCCCCCCC(=O)[O-] ZINC000828151264 601148365 /nfs/dbraw/zinc/14/83/65/601148365.db2.gz TUTMOJPULHEELW-SJLPKXTDSA-N -1 0 346.471 3.684 20 0 EHADRM Cc1ccc(CCCC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)s1 ZINC000621558111 601153714 /nfs/dbraw/zinc/15/37/14/601153714.db2.gz YCRCTEWYKKTDPB-UHFFFAOYSA-N -1 0 329.421 3.620 20 0 EHADRM Cc1oc(CN(C)C(=O)c2ccc(OC(C)(C)C)cc2)cc1C(=O)[O-] ZINC000262253654 601158385 /nfs/dbraw/zinc/15/83/85/601158385.db2.gz ZQKYFZFFVYTDSP-UHFFFAOYSA-N -1 0 345.395 3.736 20 0 EHADRM CSc1ccc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000237312310 601161457 /nfs/dbraw/zinc/16/14/57/601161457.db2.gz UDEVVXRHBZBOJY-BLLLJJGKSA-N -1 0 329.421 3.600 20 0 EHADRM Cc1ccccc1-c1cnc(COC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)o1 ZINC000832974752 601187367 /nfs/dbraw/zinc/18/73/67/601187367.db2.gz NSCZMJIEBYUQFK-KGLIPLIRSA-N -1 0 343.379 3.584 20 0 EHADRM Cc1c(C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)cnc2ccccc12 ZINC000832852966 601188991 /nfs/dbraw/zinc/18/89/91/601188991.db2.gz DELFVNMSFRZFRN-KRWDZBQOSA-N -1 0 339.322 3.665 20 0 EHADRM Cc1oc(COC(=O)c2cc(N)cc(Cl)c2Cl)cc1C(=O)[O-] ZINC000833026865 601190123 /nfs/dbraw/zinc/19/01/23/601190123.db2.gz OAUQTHCECJZLIG-UHFFFAOYSA-N -1 0 344.150 3.532 20 0 EHADRM CCC(CC)N(CC(C)C)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000325590366 601190552 /nfs/dbraw/zinc/19/05/52/601190552.db2.gz QMHBLTMJBAKNDG-UHFFFAOYSA-N -1 0 336.432 3.829 20 0 EHADRM Cc1ccc(-c2cnc(COC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)o2)cc1 ZINC000832907218 601191416 /nfs/dbraw/zinc/19/14/16/601191416.db2.gz PAYNGPCYZHTFTA-LSDHHAIUSA-N -1 0 343.379 3.584 20 0 EHADRM CCS[C@@H]1CCC[C@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000830158163 601191698 /nfs/dbraw/zinc/19/16/98/601191698.db2.gz RUPBOXRXETUULL-CMPLNLGQSA-N -1 0 340.420 3.710 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccc2nc(C3CC3)oc2c1)C(=O)[O-] ZINC000424382301 601199578 /nfs/dbraw/zinc/19/95/78/601199578.db2.gz NZRNJGABYYFNMD-GFCCVEGCSA-N -1 0 345.399 3.574 20 0 EHADRM Cc1ccccc1Cc1noc(COc2ccc(NC(=O)[O-])cc2)n1 ZINC000832978920 601228742 /nfs/dbraw/zinc/22/87/42/601228742.db2.gz SGXILIPAVVADNZ-UHFFFAOYSA-N -1 0 339.351 3.638 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Oc2cccc(Oc3ccccn3)c2)C1 ZINC000833186880 601237012 /nfs/dbraw/zinc/23/70/12/601237012.db2.gz IYDNFCCXVLJWGM-KGLIPLIRSA-N -1 0 341.363 3.670 20 0 EHADRM CC(C)[C@H](CNc1nc(Cl)c(C(=O)[O-])s1)c1cccnc1 ZINC000826686988 601254497 /nfs/dbraw/zinc/25/44/97/601254497.db2.gz DXRSBEXPZVNPSL-JTQLQIEISA-N -1 0 325.821 3.741 20 0 EHADRM CC(C)(CC(=O)[O-])NC(=O)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000761634754 601268492 /nfs/dbraw/zinc/26/84/92/601268492.db2.gz GCOHXEDELKHEGB-UHFFFAOYSA-N -1 0 346.814 3.749 20 0 EHADRM O=C([O-])c1ccc(N2CCCC2)c(NC(=O)[C@@H]2CC23CCCC3)c1 ZINC000833318805 601268805 /nfs/dbraw/zinc/26/88/05/601268805.db2.gz WGBQZJYHICAAPX-AWEZNQCLSA-N -1 0 328.412 3.504 20 0 EHADRM CCC1CCC(NC(=O)c2ccc(COC(C)C)cc2)(C(=O)[O-])CC1 ZINC000326738773 601276435 /nfs/dbraw/zinc/27/64/35/601276435.db2.gz IYAUWBKSQBIYJO-UHFFFAOYSA-N -1 0 347.455 3.765 20 0 EHADRM COc1cc(Cl)c(Cl)cc1C(=O)OCc1ccc(C(=O)[O-])o1 ZINC000832004223 601277431 /nfs/dbraw/zinc/27/74/31/601277431.db2.gz LXWMNJLNPMOVAU-UHFFFAOYSA-N -1 0 345.134 3.650 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000769516275 601278044 /nfs/dbraw/zinc/27/80/44/601278044.db2.gz ULQQZLJQHLUDDB-HVJHFUJKSA-N -1 0 327.355 3.561 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000236686884 601278088 /nfs/dbraw/zinc/27/80/88/601278088.db2.gz ULQQZLJQHLUDDB-QAAVPBIRSA-N -1 0 327.355 3.561 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000829014455 601279569 /nfs/dbraw/zinc/27/95/69/601279569.db2.gz HUSMYTOXHVXEEL-OAHLLOKOSA-N -1 0 329.352 3.848 20 0 EHADRM CC(C)[C@H](C(=O)N1CCC(CC(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000262221641 601280596 /nfs/dbraw/zinc/28/05/96/601280596.db2.gz XFTGHGHTMQUWLC-KRWDZBQOSA-N -1 0 337.847 3.793 20 0 EHADRM CCCN(C(=O)c1ccnc(C(=O)[O-])c1)[C@@H](CC)c1ccccc1 ZINC000829452904 601281083 /nfs/dbraw/zinc/28/10/83/601281083.db2.gz KYEMOGVKBRATRR-KRWDZBQOSA-N -1 0 326.396 3.783 20 0 EHADRM CC(C)=C(C)C(=O)N(C)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000826642128 601282339 /nfs/dbraw/zinc/28/23/39/601282339.db2.gz PTORADJYSVUVNI-CYBMUJFWSA-N -1 0 330.211 3.934 20 0 EHADRM CC(C)Sc1ccc([C@H](C)NC(=O)c2ccnc(C(=O)[O-])c2)cc1 ZINC000236636086 601284181 /nfs/dbraw/zinc/28/41/81/601284181.db2.gz GLJDISPCUWURFK-LBPRGKRZSA-N -1 0 344.436 3.771 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000825793103 601287174 /nfs/dbraw/zinc/28/71/74/601287174.db2.gz MSKHXUGCGYDUFF-VSKPTYQZSA-N -1 0 339.366 3.834 20 0 EHADRM Cc1ccc(CCC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000237501930 601294599 /nfs/dbraw/zinc/29/45/99/601294599.db2.gz PCBAFEAVKTUYCR-HNAYVOBHSA-N -1 0 325.408 3.506 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)CCCc1ccccc1)c1ccccc1 ZINC000237498868 601298547 /nfs/dbraw/zinc/29/85/47/601298547.db2.gz GJZQYONYBDCCCC-HNAYVOBHSA-N -1 0 325.408 3.588 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1cc(-c2ccccc2)ns1 ZINC000417745547 601312301 /nfs/dbraw/zinc/31/23/01/601312301.db2.gz FRYOCFRCJMXRHC-UHFFFAOYSA-N -1 0 333.413 3.577 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)s1 ZINC000630298331 601335140 /nfs/dbraw/zinc/33/51/40/601335140.db2.gz UUOOVZBOITXYQV-CYBMUJFWSA-N -1 0 333.384 3.953 20 0 EHADRM CC(=O)c1ccc(NC(=S)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000825951482 601338367 /nfs/dbraw/zinc/33/83/67/601338367.db2.gz KOQYULWZEABOGK-UHFFFAOYSA-N -1 0 328.393 3.705 20 0 EHADRM Cc1cc(CN2CCC[C@@H]2c2nc3ccccc3n2C)oc1C(=O)[O-] ZINC000574921501 601338538 /nfs/dbraw/zinc/33/85/38/601338538.db2.gz CGNLUZCAQQHAAX-MRXNPFEDSA-N -1 0 339.395 3.510 20 0 EHADRM Cc1ccc(NC(=S)N[C@H]2CCc3ccccc3C2)cc1C(=O)[O-] ZINC000832948783 601339159 /nfs/dbraw/zinc/33/91/59/601339159.db2.gz DTMSYNFWJMVFEW-HNNXBMFYSA-N -1 0 340.448 3.537 20 0 EHADRM Cc1csc(C2(NC(=O)Nc3ccc(C)c(C(=O)[O-])c3)CCC2)n1 ZINC000832988838 601339531 /nfs/dbraw/zinc/33/95/31/601339531.db2.gz KGCZTGQASNEOHB-UHFFFAOYSA-N -1 0 345.424 3.659 20 0 EHADRM CS/C=C/C(=O)Nc1ccc(Oc2ccccc2)cc1C(=O)[O-] ZINC000832747691 601341972 /nfs/dbraw/zinc/34/19/72/601341972.db2.gz IGZBARQFEBNOMF-MDZDMXLPSA-N -1 0 329.377 3.992 20 0 EHADRM O=C([O-])c1cccc(-c2nc(COC(=O)[C@H]3C[C@@H]3C3CC3)cs2)c1 ZINC000833327020 601358576 /nfs/dbraw/zinc/35/85/76/601358576.db2.gz ZSNPEXPDTJSSAX-CABCVRRESA-N -1 0 343.404 3.598 20 0 EHADRM COc1ccc(OC(F)F)c(NCc2cc(C(=O)[O-])oc2C)c1 ZINC000832430555 601390645 /nfs/dbraw/zinc/39/06/45/601390645.db2.gz DCURXBPTTAGYSH-UHFFFAOYSA-N -1 0 327.283 3.508 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CSc1nnc(-c2cccs2)n1C ZINC000830398413 601395633 /nfs/dbraw/zinc/39/56/33/601395633.db2.gz LOCMBQBQZDHVMH-UHFFFAOYSA-N -1 0 349.437 3.690 20 0 EHADRM C[C@H](C(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccc(Cl)s1 ZINC000621558573 601402745 /nfs/dbraw/zinc/40/27/45/601402745.db2.gz JQRZJZWCBOTCTL-VIFPVBQESA-N -1 0 335.812 3.746 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CSc1nnc(-c2cccs2)o1 ZINC000830398677 601405252 /nfs/dbraw/zinc/40/52/52/601405252.db2.gz RIHMAERPBYKEGI-UHFFFAOYSA-N -1 0 336.394 3.944 20 0 EHADRM C/C(=C\COC(=O)c1ccc(C2SCCCS2)cc1)C(=O)[O-] ZINC000825774954 601408677 /nfs/dbraw/zinc/40/86/77/601408677.db2.gz IQVCNQSNTIHBPK-YRNVUSSQSA-N -1 0 338.450 3.743 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000830362478 601422827 /nfs/dbraw/zinc/42/28/27/601422827.db2.gz AFUDSIQHONJMCW-XJKSGUPXSA-N -1 0 329.396 3.502 20 0 EHADRM Cc1ccc2nc(C3CC3)cc(C(=O)NC3(CC(=O)[O-])CCC3)c2c1 ZINC000262608058 601433998 /nfs/dbraw/zinc/43/39/98/601433998.db2.gz ATDURHFYHVLLID-UHFFFAOYSA-N -1 0 338.407 3.548 20 0 EHADRM Cc1c(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cccc1C(=O)[O-] ZINC000321820762 601445455 /nfs/dbraw/zinc/44/54/55/601445455.db2.gz DJDKZGUIPOWMJQ-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000666361577 601445590 /nfs/dbraw/zinc/44/55/90/601445590.db2.gz CEUICHPKTLFOLB-UONOGXRCSA-N -1 0 347.436 3.546 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC000828759188 601445898 /nfs/dbraw/zinc/44/58/98/601445898.db2.gz RCRFFDGCOMNQII-ZDUSSCGKSA-N -1 0 327.380 3.839 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)c1cc(Cl)ccc1OC1CCCC1 ZINC000236818007 601446177 /nfs/dbraw/zinc/44/61/77/601446177.db2.gz YDXHSLGQCONQQG-UHFFFAOYSA-N -1 0 339.819 3.598 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)Cc2coc3cc(F)ccc23)c1 ZINC000833120294 601448754 /nfs/dbraw/zinc/44/87/54/601448754.db2.gz WJQOMFOYADMAFE-UHFFFAOYSA-N -1 0 331.274 3.590 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)CCC(=O)c1ccc2ccccc2c1 ZINC000828623346 601455739 /nfs/dbraw/zinc/45/57/39/601455739.db2.gz NPFVFWUMIRPIQD-HXUWFJFHSA-N -1 0 341.407 3.562 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CCC(=O)c1ccc2ccccc2c1 ZINC000828623341 601455920 /nfs/dbraw/zinc/45/59/20/601455920.db2.gz NPFVFWUMIRPIQD-FQEVSTJZSA-N -1 0 341.407 3.562 20 0 EHADRM C[C@@H](SCc1cccc(C(=O)[O-])c1)C(=O)Nc1cccc(F)c1 ZINC000827908542 601456748 /nfs/dbraw/zinc/45/67/48/601456748.db2.gz KRSZKYITXXIVON-LLVKDONJSA-N -1 0 333.384 3.784 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000237111182 601457300 /nfs/dbraw/zinc/45/73/00/601457300.db2.gz XTMXAPOHXYLXDB-MBOZVWFJSA-N -1 0 325.408 3.703 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000237015469 601457325 /nfs/dbraw/zinc/45/73/25/601457325.db2.gz SULLMNFVVHMWAA-UHFFFAOYSA-N -1 0 344.238 3.738 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)CCc1c[nH]c2ccccc12 ZINC000830384665 601457595 /nfs/dbraw/zinc/45/75/95/601457595.db2.gz ZBYSIWWJMAVCEF-UHFFFAOYSA-N -1 0 341.363 3.698 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000830384345 601459417 /nfs/dbraw/zinc/45/94/17/601459417.db2.gz OREQVRUTGYHLJI-ZIAGYGMSSA-N -1 0 332.327 3.526 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000237112856 601467783 /nfs/dbraw/zinc/46/77/83/601467783.db2.gz VCYLAJKSQMQKFD-BDJLRTHQSA-N -1 0 345.361 3.644 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000237037779 601471182 /nfs/dbraw/zinc/47/11/82/601471182.db2.gz KZPGBPIZORYDBE-ZDUSSCGKSA-N -1 0 335.347 3.672 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=S)Nc1ccc(SC(F)F)cc1 ZINC000828651859 601472382 /nfs/dbraw/zinc/47/23/82/601472382.db2.gz BPICHTJXHNQCIM-AWEZNQCLSA-N -1 0 348.440 3.931 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC000832220792 601474347 /nfs/dbraw/zinc/47/43/47/601474347.db2.gz HDFQUIWKBSPLLF-RYUDHWBXSA-N -1 0 332.352 3.784 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1ccc2ccccc2c1 ZINC000326757735 601479138 /nfs/dbraw/zinc/47/91/38/601479138.db2.gz IANSBHPCQLSXFJ-IBGZPJMESA-N -1 0 331.371 3.664 20 0 EHADRM C[C@@H](C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-])c1ccc(Cl)s1 ZINC000262841948 601497086 /nfs/dbraw/zinc/49/70/86/601497086.db2.gz ZXASGLYFYCBCRR-BMIGLBTASA-N -1 0 349.839 3.716 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000262116994 601499942 /nfs/dbraw/zinc/49/99/42/601499942.db2.gz KSLSZJDYOSGQGW-UHFFFAOYSA-N -1 0 337.847 3.622 20 0 EHADRM Cc1ccc(/C=C/CC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC000237674187 601500014 /nfs/dbraw/zinc/50/00/14/601500014.db2.gz RAWKPLZHYZUPFI-KJUCQMERSA-N -1 0 327.424 3.643 20 0 EHADRM Cc1ccc(/C=C/CC(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])cc1 ZINC000678978839 601503325 /nfs/dbraw/zinc/50/33/25/601503325.db2.gz HYXXEDUNNWDPEH-SGSXCFNPSA-N -1 0 335.403 3.609 20 0 EHADRM Cc1ccc(/C=C\CC(=O)N(CC(=O)[O-])c2cccc(F)c2)cc1 ZINC000832928493 601504963 /nfs/dbraw/zinc/50/49/63/601504963.db2.gz SPAWCALHPQXHKO-RQOWECAXSA-N -1 0 327.355 3.655 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)C/C=C/c1ccc(C)cc1 ZINC000832523767 601505712 /nfs/dbraw/zinc/50/57/12/601505712.db2.gz MBRGPWDZOJIZDS-HWKANZROSA-N -1 0 326.348 3.711 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)cc1F)C1CC1 ZINC000767076196 601524410 /nfs/dbraw/zinc/52/44/10/601524410.db2.gz WDNRWZYGFJZZCF-QGZVFWFLSA-N -1 0 345.345 3.615 20 0 EHADRM O=C([O-])Cc1ccc(OCc2ncc(-c3ccccc3F)o2)cc1 ZINC000833267093 601577356 /nfs/dbraw/zinc/57/73/56/601577356.db2.gz LUINMLJBGUTRIJ-UHFFFAOYSA-N -1 0 327.311 3.687 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc(Cl)ccc1F)c1ccc(Cl)cc1 ZINC000345865107 601585619 /nfs/dbraw/zinc/58/56/19/601585619.db2.gz SBSYRQUFACLOHJ-ZDUSSCGKSA-N -1 0 342.153 3.688 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000776650850 601585902 /nfs/dbraw/zinc/58/59/02/601585902.db2.gz NCZKZDOTHIRWPB-ZBEGNZNMSA-N -1 0 349.789 3.600 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1sc2cccc(Cl)c2c1Cl)C1CC1 ZINC000833125797 601596947 /nfs/dbraw/zinc/59/69/47/601596947.db2.gz QDSJILOWITUCRT-NSHDSACASA-N -1 0 344.219 3.801 20 0 EHADRM O=C([O-])[C@H](OC(=O)Cc1ccc(F)c(F)c1)c1cccc(Cl)c1 ZINC000833118894 601600411 /nfs/dbraw/zinc/60/04/11/601600411.db2.gz UFNKAFMVMZNYNB-OAHLLOKOSA-N -1 0 340.709 3.530 20 0 EHADRM CCc1cccc(NC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000830265916 601615075 /nfs/dbraw/zinc/61/50/75/601615075.db2.gz VRKBCAOQSBXHAU-DYVFJYSZSA-N -1 0 326.396 3.833 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)C(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000236801745 601616349 /nfs/dbraw/zinc/61/63/49/601616349.db2.gz WYYZLNKIXZCJKF-AWEZNQCLSA-N -1 0 341.407 3.843 20 0 EHADRM CC(C)CCN(C(=O)Nc1ccc(OCC(=O)[O-])cc1)C1CCCC1 ZINC000393157993 601617314 /nfs/dbraw/zinc/61/73/14/601617314.db2.gz KEPRSMUCLSEJSA-UHFFFAOYSA-N -1 0 348.443 3.973 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1ccccc1CC(=O)[O-] ZINC000262111044 601617578 /nfs/dbraw/zinc/61/75/78/601617578.db2.gz INDIOSNSPVBZSC-HFTRVMKXSA-N -1 0 347.455 3.730 20 0 EHADRM O=C([O-])c1ccc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1F ZINC000576600256 601619559 /nfs/dbraw/zinc/61/95/59/601619559.db2.gz WYNCXJPJNXZXET-QGZVFWFLSA-N -1 0 349.789 3.751 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)Nc1ccccc1SC(F)(F)F)C1CC1 ZINC000833199629 601620806 /nfs/dbraw/zinc/62/08/06/601620806.db2.gz VMJDXJMOMDEGSE-SNVBAGLBSA-N -1 0 348.346 3.673 20 0 EHADRM O=C([O-])C[C@H](NC(=O)/C=C/c1ccccc1F)c1ccc(Cl)cc1 ZINC000013175074 601621358 /nfs/dbraw/zinc/62/13/58/601621358.db2.gz YAFFGSYZSVCLCE-JCVNQNCUSA-N -1 0 347.773 3.825 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CSc1nnc(-c2ccccc2)n1C ZINC000833031524 601622244 /nfs/dbraw/zinc/62/22/44/601622244.db2.gz MCOHGFOKCSCSMC-UHFFFAOYSA-N -1 0 345.449 3.843 20 0 EHADRM CN(Cc1ccc(NC(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1)C(=O)[O-] ZINC000830835496 601625003 /nfs/dbraw/zinc/62/50/03/601625003.db2.gz GQNWABUTTKWVQH-HOCLYGCPSA-N -1 0 331.416 3.593 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2c[nH]nc2-c2ccccc2Cl)c1 ZINC000833329398 601637326 /nfs/dbraw/zinc/63/73/26/601637326.db2.gz BQIFPALTVSOCIV-UHFFFAOYSA-N -1 0 341.754 3.681 20 0 EHADRM CCCCC[C@@H](NC(=O)c1cccc(Oc2ccncc2)c1)C(=O)[O-] ZINC000829333650 601648485 /nfs/dbraw/zinc/64/84/85/601648485.db2.gz SAQZAGOLKUWOHZ-QGZVFWFLSA-N -1 0 342.395 3.637 20 0 EHADRM Cc1cccc(C(NC(=O)CCCNC(=O)[O-])c2cccc(C)c2)c1 ZINC000832964987 601665348 /nfs/dbraw/zinc/66/53/48/601665348.db2.gz OWQQDCXHIIAGLM-UHFFFAOYSA-N -1 0 340.423 3.557 20 0 EHADRM CCOC(=O)c1cccnc1SCc1cc(C(=O)[O-])sc1C ZINC000829885393 601676738 /nfs/dbraw/zinc/67/67/38/601676738.db2.gz LZBDGEKJAIDLSR-UHFFFAOYSA-N -1 0 337.422 3.619 20 0 EHADRM O=C([O-])CCN(C(=O)[C@H]1C[C@@H]1Cc1ccccc1)c1cccc(F)c1 ZINC000833231936 601681735 /nfs/dbraw/zinc/68/17/35/601681735.db2.gz GSEGQIJSTWAKSL-YJBOKZPZSA-N -1 0 341.382 3.512 20 0 EHADRM C[C@H](CSc1ccc(F)cc1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000237442617 601683812 /nfs/dbraw/zinc/68/38/12/601683812.db2.gz DTLULKPOLBEJJG-GFCCVEGCSA-N -1 0 347.411 3.820 20 0 EHADRM CC(C)c1cccc(C(C)C)c1NC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000827134277 601684240 /nfs/dbraw/zinc/68/42/40/601684240.db2.gz ONYRAAYZROCLEF-CQSZACIVSA-N -1 0 348.443 3.641 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)Cc1cc2ccccc2o1 ZINC000833030721 601725202 /nfs/dbraw/zinc/72/52/02/601725202.db2.gz CSDNDJZDGPRCDY-UHFFFAOYSA-N -1 0 330.361 3.787 20 0 EHADRM COc1ccc(CCCC(=O)OCc2cc(C(=O)[O-])sc2C)cc1 ZINC000832299921 601725773 /nfs/dbraw/zinc/72/57/73/601725773.db2.gz QHPOAVKGEHZWSH-UHFFFAOYSA-N -1 0 348.420 3.829 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC000362698715 601730150 /nfs/dbraw/zinc/73/01/50/601730150.db2.gz QMEONFAZYVXVTE-UHFFFAOYSA-N -1 0 328.755 3.701 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000828759542 601741078 /nfs/dbraw/zinc/74/10/78/601741078.db2.gz VMESLJGSMJBVDR-YVEFUNNKSA-N -1 0 345.370 3.559 20 0 EHADRM C[C@H](C(=O)N[C@H](C(=O)[O-])c1ccccc1F)c1ccc(Cl)s1 ZINC000683320677 601742024 /nfs/dbraw/zinc/74/20/24/601742024.db2.gz YQVHYEISFDCZEY-SDBXPKJASA-N -1 0 341.791 3.586 20 0 EHADRM O=C([O-])CCCc1csc(NC(=O)c2cc3cc(F)ccc3o2)n1 ZINC000833229520 601743617 /nfs/dbraw/zinc/74/36/17/601743617.db2.gz ODPZEKFFFIUBSS-UHFFFAOYSA-N -1 0 348.355 3.688 20 0 EHADRM Cc1ccc(SCCC(=O)N[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000678984627 601743762 /nfs/dbraw/zinc/74/37/62/601743762.db2.gz DFGMXFLJTNXPFT-KRWDZBQOSA-N -1 0 347.411 3.558 20 0 EHADRM C[C@@H](CC(=O)Nc1nc(CCCC(=O)[O-])cs1)c1ccccc1 ZINC000827241351 601745733 /nfs/dbraw/zinc/74/57/33/601745733.db2.gz WAWSGVPFKPBVLR-LBPRGKRZSA-N -1 0 332.425 3.683 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CCCCCc1cccs1)c1ccccc1F ZINC000678985042 601747044 /nfs/dbraw/zinc/74/70/44/601747044.db2.gz IQDAYZWNVYYHRO-KRWDZBQOSA-N -1 0 349.427 3.932 20 0 EHADRM CC(C)(CNC(=O)Nc1ccccc1SC(F)(F)F)C(=O)[O-] ZINC000826590013 601753128 /nfs/dbraw/zinc/75/31/28/601753128.db2.gz CRDMTWLNWGPVRV-UHFFFAOYSA-N -1 0 336.335 3.531 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(OC2CCCCC2)cc1)C(=O)[O-] ZINC000826590080 601756400 /nfs/dbraw/zinc/75/64/00/601756400.db2.gz FWYKQDMKDYXDFA-UHFFFAOYSA-N -1 0 334.416 3.630 20 0 EHADRM CCCC[C@H](NC(=O)Nc1ccc(CNC(=O)[O-])cc1)C1CCC1 ZINC000829296154 601756696 /nfs/dbraw/zinc/75/66/96/601756696.db2.gz PFXGMNGKIKXTCX-INIZCTEOSA-N -1 0 333.432 3.935 20 0 EHADRM COc1ccccc1-c1cccc(NC(=O)NCC(C)(C)C(=O)[O-])c1 ZINC000832583059 601756931 /nfs/dbraw/zinc/75/69/31/601756931.db2.gz LYSHNBCCFCDCMM-UHFFFAOYSA-N -1 0 342.395 3.595 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000832915668 601773143 /nfs/dbraw/zinc/77/31/43/601773143.db2.gz IHCRCRAQCNRYNE-OAHLLOKOSA-N -1 0 342.370 3.854 20 0 EHADRM CSCc1cc(F)ccc1CNC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000832770952 601778190 /nfs/dbraw/zinc/77/81/90/601778190.db2.gz PUUTUXKCTCIPDQ-UHFFFAOYSA-N -1 0 348.399 3.709 20 0 EHADRM Cc1nn(Cc2cccc(C(F)(F)F)c2)c(C)c1[C@H](C)C(=O)[O-] ZINC000833016953 601779743 /nfs/dbraw/zinc/77/97/43/601779743.db2.gz OVVOJUKJDCBSNY-VIFPVBQESA-N -1 0 326.318 3.755 20 0 EHADRM O=C([O-])c1cccc(NCc2nc(-c3cccc(Cl)c3)no2)c1 ZINC000833331745 601809564 /nfs/dbraw/zinc/80/95/64/601809564.db2.gz QNYUBSRFDZLKRH-UHFFFAOYSA-N -1 0 329.743 3.700 20 0 EHADRM CC(C)[C@H](Sc1ccccc1)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000540782270 601814387 /nfs/dbraw/zinc/81/43/87/601814387.db2.gz RETMRLXLMLDNJC-SFHVURJKSA-N -1 0 349.496 3.907 20 0 EHADRM Cc1cc(C(=O)CSCc2ccc(C(=O)[O-])c(F)c2)c(C)n1C ZINC000832859745 601814502 /nfs/dbraw/zinc/81/45/02/601814502.db2.gz QXQDOHXRHHFCES-UHFFFAOYSA-N -1 0 335.400 3.595 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1ccc(F)c(F)c1F)c1ccccc1 ZINC000828595379 601815229 /nfs/dbraw/zinc/81/52/29/601815229.db2.gz XFEIWVMGLAFSJR-CYBMUJFWSA-N -1 0 337.297 3.614 20 0 EHADRM CN(C(=O)CSCc1ccc(C(=O)[O-])c(F)c1)C1CCCCC1 ZINC000830490251 601815573 /nfs/dbraw/zinc/81/55/73/601815573.db2.gz MLQLXIVXXWOMBY-UHFFFAOYSA-N -1 0 339.432 3.548 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2ccc3ccc(Cl)cc3n2)CC1 ZINC000568465887 601816478 /nfs/dbraw/zinc/81/64/78/601816478.db2.gz UYEJHUIQTJJUEO-UHFFFAOYSA-N -1 0 346.814 3.605 20 0 EHADRM C[C@@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccccc1Cl ZINC000321422540 601823124 /nfs/dbraw/zinc/82/31/24/601823124.db2.gz KQWDIMSBVWWUAG-GFCCVEGCSA-N -1 0 338.835 3.687 20 0 EHADRM Cc1c(Cl)cccc1NC(=S)NCc1cccc(C(=O)[O-])c1 ZINC000832854958 601845902 /nfs/dbraw/zinc/84/59/02/601845902.db2.gz ZGAXXXIQABXKIK-UHFFFAOYSA-N -1 0 334.828 3.833 20 0 EHADRM CC[C@H](NC(=O)NCc1cccc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC000828951248 601849393 /nfs/dbraw/zinc/84/93/93/601849393.db2.gz HJXDHTDRZMIOJK-INIZCTEOSA-N -1 0 346.814 3.989 20 0 EHADRM C[C@H](c1ccccc1)n1ccc(N[C@@H](C(=O)[O-])c2ccccc2F)n1 ZINC000827949328 601853766 /nfs/dbraw/zinc/85/37/66/601853766.db2.gz KVOFCPKQMDRMAP-FZKQIMNGSA-N -1 0 339.370 3.869 20 0 EHADRM O=C([O-])N[C@@H](C(=O)NCc1csc2ccccc12)c1ccccc1 ZINC000740687896 601854502 /nfs/dbraw/zinc/85/45/02/601854502.db2.gz YIEKAOJOQNUFBH-MRXNPFEDSA-N -1 0 340.404 3.526 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1 ZINC000833263349 601872626 /nfs/dbraw/zinc/87/26/26/601872626.db2.gz MPALNGNXKBWDNT-JKSUJKDBSA-N -1 0 346.379 3.712 20 0 EHADRM COc1ccc([C@H](C)C(=O)Oc2ccc(SCC(=O)[O-])cc2)cc1 ZINC000832221233 601876900 /nfs/dbraw/zinc/87/69/00/601876900.db2.gz WLQDXMDKUVNKND-LBPRGKRZSA-N -1 0 346.404 3.581 20 0 EHADRM Cc1cccc(O[C@H](C)C(=O)Oc2ccc(SCC(=O)[O-])cc2)c1 ZINC000832972763 601878501 /nfs/dbraw/zinc/87/85/01/601878501.db2.gz IMUHXLNCVNKPMO-CYBMUJFWSA-N -1 0 346.404 3.545 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000828201891 601881303 /nfs/dbraw/zinc/88/13/03/601881303.db2.gz WVNQDBVPWRGOFL-UNEWFSDZSA-N -1 0 345.443 3.682 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)Nc1ccc(F)cc1F ZINC000833156131 601884151 /nfs/dbraw/zinc/88/41/51/601884151.db2.gz BUOOAEUWMHZTSE-AAEUAGOBSA-N -1 0 326.343 3.510 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CN1CCO[C@](C)(c2ccccc2)C1 ZINC000577286433 601896889 /nfs/dbraw/zinc/89/68/89/601896889.db2.gz QSCSPGPULWXCLB-SFHVURJKSA-N -1 0 331.437 3.502 20 0 EHADRM CC[C@H](C)Oc1ccc(NC(=O)C2CCC(NC(=O)[O-])CC2)cc1 ZINC000739248367 601899061 /nfs/dbraw/zinc/89/90/61/601899061.db2.gz JCIUOYUUKXTYAV-OPFPJEHXSA-N -1 0 334.416 3.629 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)c1ccc(Cl)nc1Cl ZINC000833131978 601905868 /nfs/dbraw/zinc/90/58/68/601905868.db2.gz MOIWSZOOTGPSEH-GXSJLCMTSA-N -1 0 345.226 3.542 20 0 EHADRM O=C([O-])c1cccc(Cc2cnc(NC(=O)[C@@H]3CC34CCC4)s2)c1 ZINC000833330137 601908730 /nfs/dbraw/zinc/90/87/30/601908730.db2.gz ZZKJYCFWENOAFZ-AWEZNQCLSA-N -1 0 342.420 3.561 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)c1csc(-c2ccoc2)n1 ZINC000262147049 601916307 /nfs/dbraw/zinc/91/63/07/601916307.db2.gz SUPFFTFUILUWRO-STQMWFEESA-N -1 0 348.424 3.557 20 0 EHADRM C[C@@H](C(=O)NCc1cccc(C(=O)[O-])c1)c1ccc2ccccc2c1 ZINC000678933966 601924467 /nfs/dbraw/zinc/92/44/67/601924467.db2.gz XKWNVGAYVSOKOI-CQSZACIVSA-N -1 0 333.387 3.958 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)c1 ZINC000537369943 601924513 /nfs/dbraw/zinc/92/45/13/601924513.db2.gz UMKWEDXFWBXBCE-WOJBJXKFSA-N -1 0 345.398 3.958 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)C2CCC(NC(=O)[O-])CC2)c2ccccc21 ZINC000739065607 601929469 /nfs/dbraw/zinc/92/94/69/601929469.db2.gz OMABUSIFRGDTRA-MQBCKMQZSA-N -1 0 344.455 3.742 20 0 EHADRM CC(C)N(CCC(=O)Nc1ccc(Oc2ccncc2)cc1)C(=O)[O-] ZINC000738844994 601937454 /nfs/dbraw/zinc/93/74/54/601937454.db2.gz ZYMNFCSDBSFZIF-UHFFFAOYSA-N -1 0 343.383 3.591 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(C)cc(Cl)c2)cc1 ZINC000683295716 601957080 /nfs/dbraw/zinc/95/70/80/601957080.db2.gz CQOZQRBWGYPNDB-MRXNPFEDSA-N -1 0 347.798 3.603 20 0 EHADRM O=C([O-])CCCCCCCNS(=O)(=O)c1ccc2ccccc2c1 ZINC000403134803 601961993 /nfs/dbraw/zinc/96/19/93/601961993.db2.gz LRBFVRRFXYBHNT-UHFFFAOYSA-N -1 0 349.452 3.543 20 0 EHADRM Cc1cc(C)c(NC(=O)CNc2cccc(CC(=O)[O-])c2)c(Cl)c1 ZINC000738225644 601965835 /nfs/dbraw/zinc/96/58/35/601965835.db2.gz JLWRVQLYRNSYGC-UHFFFAOYSA-N -1 0 346.814 3.635 20 0 EHADRM CN(C(=O)[O-])[C@H]1CCCN(Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000739588143 601976931 /nfs/dbraw/zinc/97/69/31/601976931.db2.gz NSOUIKMRPMTSPS-AWEZNQCLSA-N -1 0 349.818 3.569 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)Nc2ccc(-c3ccccc3)cc2F)C1 ZINC000828008630 601987103 /nfs/dbraw/zinc/98/71/03/601987103.db2.gz ZXMXVBNJZKFIFU-LJQANCHMSA-N -1 0 342.370 3.821 20 0 EHADRM Cc1oc(-c2ccccc2)nc1C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000833024248 601997225 /nfs/dbraw/zinc/99/72/25/601997225.db2.gz WAEPBYLSDJWYLB-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2nc(Cl)ccc2Cl)s1 ZINC000833315202 601997662 /nfs/dbraw/zinc/99/76/62/601997662.db2.gz NMCMUTLXTKIVGF-UHFFFAOYSA-N -1 0 332.164 3.505 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2csc(Br)c2)s1 ZINC000833352762 602002964 /nfs/dbraw/zinc/00/29/64/602002964.db2.gz IIERNGIFIAUKRJ-UHFFFAOYSA-N -1 0 347.211 3.627 20 0 EHADRM CN(C(=O)CC1CCCCC1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830464234 602004229 /nfs/dbraw/zinc/00/42/29/602004229.db2.gz GRMRBWCGJDWIBW-MRXNPFEDSA-N -1 0 343.345 3.658 20 0 EHADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCCN1C(=O)c1cc2sccc2s1 ZINC000739000344 602006025 /nfs/dbraw/zinc/00/60/25/602006025.db2.gz HRPCWIKLPFWWTP-ZJUUUORDSA-N -1 0 338.454 3.614 20 0 EHADRM Cc1cccc2sc(C(=O)N3CC[C@@](C)(C(=O)[O-])C3)c(Cl)c21 ZINC000678982780 602008064 /nfs/dbraw/zinc/00/80/64/602008064.db2.gz KTLCLYRPEKQJMC-MRXNPFEDSA-N -1 0 337.828 3.800 20 0 EHADRM CN(C(=O)C=C1CCCCC1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830464875 602011182 /nfs/dbraw/zinc/01/11/82/602011182.db2.gz NHBLCEILUVZAJU-INIZCTEOSA-N -1 0 341.329 3.579 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@H]2CCSc3ccccc32)s1 ZINC000833316131 602011865 /nfs/dbraw/zinc/01/18/65/602011865.db2.gz QZNUZENYECIPPO-LBPRGKRZSA-N -1 0 334.418 3.769 20 0 EHADRM CC[C@H](CC(=O)N(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1)C(C)C ZINC000828770305 602017207 /nfs/dbraw/zinc/01/72/07/602017207.db2.gz IOGSTSVIHOAXTL-QLJPJBMISA-N -1 0 345.361 3.760 20 0 EHADRM C[C@@H](NC(=O)[O-])[C@H]1CCCCN1C(=O)c1cc2ccccc2s1 ZINC000739000241 602018980 /nfs/dbraw/zinc/01/89/80/602018980.db2.gz HJCSFEKWGXTNPU-DGCLKSJQSA-N -1 0 332.425 3.552 20 0 EHADRM Cc1cc(Br)oc1C(=O)NCCCCCCCC(=O)[O-] ZINC000262221858 602020729 /nfs/dbraw/zinc/02/07/29/602020729.db2.gz ZGQFKFSJJXBCEJ-UHFFFAOYSA-N -1 0 346.221 3.506 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)c1sccc1Br ZINC000238107390 602020827 /nfs/dbraw/zinc/02/08/27/602020827.db2.gz JAYSQXMNGVLEHW-UHFFFAOYSA-N -1 0 348.262 3.666 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000238099279 602021173 /nfs/dbraw/zinc/02/11/73/602021173.db2.gz NFRKRHMHZSIHGS-GHTZIAJQSA-N -1 0 343.467 3.822 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])c1 ZINC000831494379 602037253 /nfs/dbraw/zinc/03/72/53/602037253.db2.gz ZSAZGMPQYYVNCH-XYPHTWIQSA-N -1 0 348.443 3.939 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccn(C2CCCC2)n1)c1cccc(Cl)c1 ZINC000833351816 602037769 /nfs/dbraw/zinc/03/77/69/602037769.db2.gz UZFYLTNBPZKFPL-HNNXBMFYSA-N -1 0 348.786 3.634 20 0 EHADRM CCS[C@H]1CC[C@H](N(C)C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000830149141 602038992 /nfs/dbraw/zinc/03/89/92/602038992.db2.gz DRZYDQYGGHJUKG-RYUDHWBXSA-N -1 0 340.420 3.662 20 0 EHADRM O=C([O-])CCN(C(=O)/C=C\SCc1ccco1)c1cccc(F)c1 ZINC000833232497 602055064 /nfs/dbraw/zinc/05/50/64/602055064.db2.gz WXJWEBOZQHGOIO-YFHOEESVSA-N -1 0 349.383 3.674 20 0 EHADRM CC(C)[C@H](NC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000262917961 602056999 /nfs/dbraw/zinc/05/69/99/602056999.db2.gz FGIVSIQUPSMLAM-YOEHRIQHSA-N -1 0 338.835 3.543 20 0 EHADRM CCc1[nH]c(C(=O)N(C)c2ccc(C(C)C)cc2)c(C)c1C(=O)[O-] ZINC000830183738 602059608 /nfs/dbraw/zinc/05/96/08/602059608.db2.gz MIXDQDDZEBVYTM-UHFFFAOYSA-N -1 0 328.412 3.984 20 0 EHADRM CC(C)c1ccc([C@H](C)NC(=O)N2CCC[C@@H](CNC(=O)[O-])C2)cc1 ZINC000738875371 602060520 /nfs/dbraw/zinc/06/05/20/602060520.db2.gz FWTWVKGIBRFDTN-GJZGRUSLSA-N -1 0 347.459 3.560 20 0 EHADRM O=C(/C=C/C1CC1)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC000833092314 602063416 /nfs/dbraw/zinc/06/34/16/602063416.db2.gz CIKGBYAFIVLJHT-DHZHZOJOSA-N -1 0 337.375 3.869 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000827273927 602083758 /nfs/dbraw/zinc/08/37/58/602083758.db2.gz UVJGJOFUYVYVHC-ORAYPTAESA-N -1 0 337.375 3.749 20 0 EHADRM CCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)CC(=O)[O-] ZINC000829527980 602084605 /nfs/dbraw/zinc/08/46/05/602084605.db2.gz NVHAZPHRRBCHCR-VIFPVBQESA-N -1 0 333.306 3.544 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@@H]1C[C@@H]1C1CC1)c1cc(Cl)cc(Cl)c1 ZINC000833170515 602089524 /nfs/dbraw/zinc/08/95/24/602089524.db2.gz QGADTKSISJXINZ-JHJVBQTASA-N -1 0 329.179 3.708 20 0 EHADRM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)NCCCCCCCC(=O)[O-] ZINC000828151357 602094890 /nfs/dbraw/zinc/09/48/90/602094890.db2.gz WBYUQYGMSUTBAU-SJLPKXTDSA-N -1 0 346.471 3.999 20 0 EHADRM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)NCCCCCCCC(=O)[O-] ZINC000828151356 602095125 /nfs/dbraw/zinc/09/51/25/602095125.db2.gz WBYUQYGMSUTBAU-FUHWJXTLSA-N -1 0 346.471 3.999 20 0 EHADRM O=C([O-])c1sccc1NC(=O)c1cc(C(F)(F)F)ccc1F ZINC000317256213 602101085 /nfs/dbraw/zinc/10/10/85/602101085.db2.gz QGIYUNNJQGMMII-UHFFFAOYSA-N -1 0 333.262 3.857 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000829009360 602109097 /nfs/dbraw/zinc/10/90/97/602109097.db2.gz CGVWKZSCRXFULQ-OAHLLOKOSA-N -1 0 341.354 3.729 20 0 EHADRM CSc1cc(C(=O)N[C@H](C(=O)[O-])C(C)C)c(Cl)cc1Cl ZINC000237426639 602109837 /nfs/dbraw/zinc/10/98/37/602109837.db2.gz FSGAHCDRLISTLZ-NSHDSACASA-N -1 0 336.240 3.554 20 0 EHADRM COCCC1(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CCCC1 ZINC000678980060 602110281 /nfs/dbraw/zinc/11/02/81/602110281.db2.gz RJECNWPHYQJXED-UHFFFAOYSA-N -1 0 325.792 3.574 20 0 EHADRM CCC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000828574447 602110543 /nfs/dbraw/zinc/11/05/43/602110543.db2.gz RMMKRXZMXVVEQS-UHFFFAOYSA-N -1 0 331.755 3.883 20 0 EHADRM Cc1ccccc1-c1nc(COc2ccc(Cl)cc2C(=O)[O-])no1 ZINC000832973727 602125962 /nfs/dbraw/zinc/12/59/62/602125962.db2.gz BQJMATWWGULGKS-UHFFFAOYSA-N -1 0 344.754 3.976 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1cccc(Cl)c1F)c1ccccc1 ZINC000828595446 602126476 /nfs/dbraw/zinc/12/64/76/602126476.db2.gz YPTVHPJAZRMHAY-AWEZNQCLSA-N -1 0 335.762 3.989 20 0 EHADRM CCN(C(=O)[C@H](C)CC(=O)[O-])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000829590707 602131335 /nfs/dbraw/zinc/13/13/35/602131335.db2.gz BXHNCLWEXQDFMX-MNOVXSKESA-N -1 0 331.334 3.726 20 0 EHADRM C[C@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)C1=CCCC1 ZINC000827948793 602135525 /nfs/dbraw/zinc/13/55/25/602135525.db2.gz DUMBOGCIUKWYGH-CYBMUJFWSA-N -1 0 340.379 3.573 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000827873217 602149981 /nfs/dbraw/zinc/14/99/81/602149981.db2.gz FPAWWNFMMWNSRF-CQSZACIVSA-N -1 0 348.443 3.863 20 0 EHADRM CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1cccc(Br)c1C ZINC000739298440 602151339 /nfs/dbraw/zinc/15/13/39/602151339.db2.gz VPEJQUKHDFRBNP-CQSZACIVSA-N -1 0 343.221 3.522 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=S)NCc1ccccc1)c1ccccc1 ZINC000826106256 602152024 /nfs/dbraw/zinc/15/20/24/602152024.db2.gz WJKLYUSADOAWRC-INIZCTEOSA-N -1 0 342.464 3.503 20 0 EHADRM C[C@@H](COc1ccccc1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000827525101 602152244 /nfs/dbraw/zinc/15/22/44/602152244.db2.gz PVUMALLEMNKJMP-AWEZNQCLSA-N -1 0 341.407 3.702 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000263166980 602159185 /nfs/dbraw/zinc/15/91/85/602159185.db2.gz FMXXDFFBFOUUGH-JLSDUUJJSA-N -1 0 347.455 3.693 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)CSc1nccc2ccccc21 ZINC000833116370 602167989 /nfs/dbraw/zinc/16/79/89/602167989.db2.gz SHQADTSPBPWLQZ-UHFFFAOYSA-N -1 0 338.388 3.664 20 0 EHADRM CCSc1cc(C(=O)Nc2cc(OC)ccc2NC(=O)[O-])ccn1 ZINC000739519753 602171389 /nfs/dbraw/zinc/17/13/89/602171389.db2.gz WHRQUUZIMXBFER-UHFFFAOYSA-N -1 0 347.396 3.544 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)CCCOc1ccccc1F ZINC000740713844 602173335 /nfs/dbraw/zinc/17/33/35/602173335.db2.gz BMRCEWJDOTXLIE-UHFFFAOYSA-N -1 0 332.331 3.713 20 0 EHADRM O=C([O-])c1csc(NC(=O)CCOc2ccc(Cl)cc2)c1 ZINC000191353303 602181568 /nfs/dbraw/zinc/18/15/68/602181568.db2.gz JZKKTLJOPWRDFN-UHFFFAOYSA-N -1 0 325.773 3.507 20 0 EHADRM Cc1nc2ccccc2c(C)c1CC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000191346203 602181685 /nfs/dbraw/zinc/18/16/85/602181685.db2.gz LYUQHFOJUODPJI-UHFFFAOYSA-N -1 0 340.404 3.793 20 0 EHADRM COc1cccc(C2(C(=O)Nc3cc(C(=O)[O-])cs3)CCCC2)c1 ZINC000191364074 602182025 /nfs/dbraw/zinc/18/20/25/602182025.db2.gz IBCBSHMGEVJLBD-UHFFFAOYSA-N -1 0 345.420 3.905 20 0 EHADRM O=C([O-])c1csc(NC(=O)Cc2c(Cl)cccc2Cl)c1 ZINC000191361431 602183369 /nfs/dbraw/zinc/18/33/69/602183369.db2.gz OEKNYDTUBQWMJU-UHFFFAOYSA-N -1 0 330.192 3.934 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2ccc(-c3ccco3)s2)cc1 ZINC000833258785 602187749 /nfs/dbraw/zinc/18/77/49/602187749.db2.gz YSBYVZAWYGVGKU-UHFFFAOYSA-N -1 0 343.360 3.724 20 0 EHADRM Cc1ccc(CNC(=O)[C@H](C)CC(=O)[O-])c(O[C@H](C)CC(C)C)c1 ZINC000832932166 602231734 /nfs/dbraw/zinc/23/17/34/602231734.db2.gz CGNUHTHLVGPASV-HUUCEWRRSA-N -1 0 335.444 3.535 20 0 EHADRM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCO[C@H](c2cccs2)C1 ZINC000583030248 602232746 /nfs/dbraw/zinc/23/27/46/602232746.db2.gz NDPHHDXRHKRSNY-DZGCQCFKSA-N -1 0 337.828 3.601 20 0 EHADRM CC1(C)C[C@@H](NC(=O)c2ccccc2NC(=O)[O-])c2ccccc2O1 ZINC000828056763 602238397 /nfs/dbraw/zinc/23/83/97/602238397.db2.gz WFSXYWZPKIJQQF-OAHLLOKOSA-N -1 0 340.379 3.809 20 0 EHADRM CCn1c(SCc2occc2C(=O)[O-])nnc1-c1ccc(F)cc1 ZINC000830416387 602239662 /nfs/dbraw/zinc/23/96/62/602239662.db2.gz SUANTEIFVVGCHK-UHFFFAOYSA-N -1 0 347.371 3.688 20 0 EHADRM C[C@H](NC(=O)c1ccc(CNC(=O)[O-])cc1)C(C)(C)c1ccccc1 ZINC000739025972 602240967 /nfs/dbraw/zinc/24/09/67/602240967.db2.gz WCUWUCMKUXTZMR-AWEZNQCLSA-N -1 0 340.423 3.550 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(-c2ccco2)s1)c1cccs1 ZINC000833126949 602241405 /nfs/dbraw/zinc/24/14/05/602241405.db2.gz SQLSMZJRZKSWEC-ZDUSSCGKSA-N -1 0 333.390 3.625 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)c3cc4c(s3)CCC4)ccc21 ZINC000740469648 602244561 /nfs/dbraw/zinc/24/45/61/602244561.db2.gz JVYWNLKQMRWKAO-UHFFFAOYSA-N -1 0 328.393 3.530 20 0 EHADRM Cc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2C)C(=O)[O-])cc1 ZINC000439945309 602248239 /nfs/dbraw/zinc/24/82/39/602248239.db2.gz VMKJAGSMGDCPRX-INIZCTEOSA-N -1 0 331.799 3.555 20 0 EHADRM CCCCSCC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000776630221 602260043 /nfs/dbraw/zinc/26/00/43/602260043.db2.gz RDFOJUOGCMLTIT-UHFFFAOYSA-N -1 0 347.436 3.775 20 0 EHADRM Cc1cc(C)c(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)o1 ZINC000237898462 602261678 /nfs/dbraw/zinc/26/16/78/602261678.db2.gz WRJNUGQYPOSNDI-UHFFFAOYSA-N -1 0 339.347 3.765 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)OCc1csc(-c2ccc(Cl)cc2)n1 ZINC000827348580 602276172 /nfs/dbraw/zinc/27/61/72/602276172.db2.gz IJPVDIVCIVQYLT-SECBINFHSA-N -1 0 339.800 3.618 20 0 EHADRM CN(Cc1cccc(F)c1)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739707584 602279017 /nfs/dbraw/zinc/27/90/17/602279017.db2.gz VFTBYZFCSRZOBU-UHFFFAOYSA-N -1 0 343.358 3.530 20 0 EHADRM O=C([O-])NCCOc1cccc(NC(=O)c2sccc2C2CC2)c1 ZINC000740666886 602280473 /nfs/dbraw/zinc/28/04/73/602280473.db2.gz DYYCTSPRRZQDFL-UHFFFAOYSA-N -1 0 346.408 3.524 20 0 EHADRM O=C([O-])c1ccncc1C(=O)OCc1ccccc1Oc1ccccc1 ZINC000833335058 602287830 /nfs/dbraw/zinc/28/78/30/602287830.db2.gz VUZUXYPHBMSQGZ-UHFFFAOYSA-N -1 0 349.342 3.929 20 0 EHADRM Cc1cc(Oc2ccc(NC(=O)c3ccc(C(=O)[O-])s3)cc2)n[nH]1 ZINC000832901140 602298321 /nfs/dbraw/zinc/29/83/21/602298321.db2.gz WINZTXBMAIPBRS-UHFFFAOYSA-N -1 0 343.364 3.522 20 0 EHADRM CCCC1(C(=O)Nc2nc3nc(C)cc(C(=O)[O-])c3s2)CCC1 ZINC000829238502 602312581 /nfs/dbraw/zinc/31/25/81/602312581.db2.gz VYTINSWBFOLKJV-UHFFFAOYSA-N -1 0 333.413 3.607 20 0 EHADRM O=C([O-])CN(Cc1csc(COc2ccccc2)n1)C1CCCC1 ZINC000833248904 602332888 /nfs/dbraw/zinc/33/28/88/602332888.db2.gz CNTZQVSMOXPCAA-UHFFFAOYSA-N -1 0 346.452 3.551 20 0 EHADRM C/C(=C\C(=O)N(C)c1ncc(C(=O)[O-])s1)c1ccccc1Cl ZINC000825716555 602340346 /nfs/dbraw/zinc/34/03/46/602340346.db2.gz KJRMHZOGYPPWPW-VQHVLOKHSA-N -1 0 336.800 3.561 20 0 EHADRM O=C([O-])c1sc2cccc(F)c2c1COC(=O)[C@H]1CCSC1 ZINC000833347566 602344856 /nfs/dbraw/zinc/34/48/56/602344856.db2.gz LQLMFTJIGKZIRX-QMMMGPOBSA-N -1 0 340.397 3.535 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cn2ccc3ccc(Cl)cc32)cc1F ZINC000767201000 602353480 /nfs/dbraw/zinc/35/34/80/602353480.db2.gz KANZYOBPFSFDEA-UHFFFAOYSA-N -1 0 346.745 3.771 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cc1F ZINC000393124099 602356135 /nfs/dbraw/zinc/35/61/35/602356135.db2.gz PEKYMPYXSXDZNB-UHFFFAOYSA-N -1 0 340.354 3.967 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000767200802 602356154 /nfs/dbraw/zinc/35/61/54/602356154.db2.gz LOXKPLLAJUYMAE-NSHDSACASA-N -1 0 333.384 3.784 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CSCc2ccc(F)cc2)cc1F ZINC000391651223 602358178 /nfs/dbraw/zinc/35/81/78/602358178.db2.gz XGDHVLLXIIPHRP-UHFFFAOYSA-N -1 0 337.347 3.535 20 0 EHADRM Cc1ccc(Cl)c(OCC(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000323237292 602358202 /nfs/dbraw/zinc/35/82/02/602358202.db2.gz PTEKNXWTYZTIFC-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1F ZINC000325753840 602359471 /nfs/dbraw/zinc/35/94/71/602359471.db2.gz SXQLTDQUPUTTTG-UHFFFAOYSA-N -1 0 326.327 3.577 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc3ccccc3cc2NC(=O)[O-])CCS1 ZINC000739164790 602361903 /nfs/dbraw/zinc/36/19/03/602361903.db2.gz KKBPIORWIRGXCO-LLVKDONJSA-N -1 0 330.409 3.507 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)N[C@@H]2COc3ccc(Cl)cc32)c1 ZINC000833289160 602363859 /nfs/dbraw/zinc/36/38/59/602363859.db2.gz PDSPHTMKDRDPMC-CYBMUJFWSA-N -1 0 347.758 3.685 20 0 EHADRM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000827212702 602366104 /nfs/dbraw/zinc/36/61/04/602366104.db2.gz GLWPHTHDWMEPAS-CYBMUJFWSA-N -1 0 341.411 3.556 20 0 EHADRM Cc1oc(CN(C)C(=O)Nc2cc(C)ccc2Cl)cc1C(=O)[O-] ZINC000832935676 602367988 /nfs/dbraw/zinc/36/79/88/602367988.db2.gz XCVSCWHAOJNZMS-UHFFFAOYSA-N -1 0 336.775 3.912 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)CC2 ZINC000832961873 602377254 /nfs/dbraw/zinc/37/72/54/602377254.db2.gz MZACRFAVADYDSP-INIZCTEOSA-N -1 0 328.343 3.641 20 0 EHADRM CC1(c2ccccc2)CC(NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000828121056 602379650 /nfs/dbraw/zinc/37/96/50/602379650.db2.gz CHRXTFGMODSELN-UHFFFAOYSA-N -1 0 342.370 3.766 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CC[C@@H](c3cccc(F)c3)C2)cc1F ZINC000833320566 602383696 /nfs/dbraw/zinc/38/36/96/602383696.db2.gz YSCDWWXUGJDHKR-GFCCVEGCSA-N -1 0 346.333 3.684 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCC[C@@]3(CC=CCC3)C2)cc1F ZINC000833320544 602385150 /nfs/dbraw/zinc/38/51/50/602385150.db2.gz YFCSRLOXFUFPLO-SFHVURJKSA-N -1 0 332.375 3.878 20 0 EHADRM C[C@@H](CN(C)C(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000827436495 602386894 /nfs/dbraw/zinc/38/68/94/602386894.db2.gz ARBTYDUTJMIPFZ-LBPRGKRZSA-N -1 0 330.359 3.791 20 0 EHADRM C[C@H]1c2ccccc2CCN1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000828528693 602387169 /nfs/dbraw/zinc/38/71/69/602387169.db2.gz YREHOCORBCENCZ-NSHDSACASA-N -1 0 328.343 3.675 20 0 EHADRM Cc1ccc(C)c([C@H]2CCCN2C(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC000263508772 602397311 /nfs/dbraw/zinc/39/73/11/602397311.db2.gz YAZNADZIHNOZNH-LEOMRAHMSA-N -1 0 344.455 3.793 20 0 EHADRM CC(=O)c1ccc(Cl)c(NC(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000825946617 602398619 /nfs/dbraw/zinc/39/86/19/602398619.db2.gz HIMYKTWQACFIMP-UHFFFAOYSA-N -1 0 345.782 3.812 20 0 EHADRM O=C([O-])CN(C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21)C1CCCC1 ZINC000833241974 602399613 /nfs/dbraw/zinc/39/96/13/602399613.db2.gz NOMYPIVTSSAHCM-RBUKOAKNSA-N -1 0 337.419 3.799 20 0 EHADRM Cc1ccc(OCc2nc([C@H](CC(C)C)NC(=O)[O-])no2)c(C)c1 ZINC000740144042 602407479 /nfs/dbraw/zinc/40/74/79/602407479.db2.gz KPUQXNFNVFJVIE-ZDUSSCGKSA-N -1 0 333.388 3.620 20 0 EHADRM O=C([O-])NC1(c2noc(-c3cc(Cl)sc3Cl)n2)CCC1 ZINC000740547368 602416894 /nfs/dbraw/zinc/41/68/94/602416894.db2.gz GCTIEAAOFAKWRU-UHFFFAOYSA-N -1 0 334.184 3.752 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)c3cccc(C(F)F)c3)ccc21 ZINC000740470256 602433729 /nfs/dbraw/zinc/43/37/29/602433729.db2.gz NVFZORCIULGLGE-UHFFFAOYSA-N -1 0 332.306 3.917 20 0 EHADRM Cc1oc(-c2cccs2)nc1CN1CCC([C@@H](C)NC(=O)[O-])CC1 ZINC000740274161 602448009 /nfs/dbraw/zinc/44/80/09/602448009.db2.gz JXNFLMZDFFNYHQ-LLVKDONJSA-N -1 0 349.456 3.580 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)Nc2cccc(CNC(=O)[O-])c2)cc1 ZINC000740115579 602451409 /nfs/dbraw/zinc/45/14/09/602451409.db2.gz WVFUOSJMAFZGDB-AWEZNQCLSA-N -1 0 341.411 3.988 20 0 EHADRM COc1ccc(-c2nc(C3(NC(=O)[O-])CCC3)sc2C)cc1OC ZINC000739879443 602451979 /nfs/dbraw/zinc/45/19/79/602451979.db2.gz LKWYFXQYJVPOGO-UHFFFAOYSA-N -1 0 348.424 3.783 20 0 EHADRM CC(C)(C)CN(CC(F)(F)F)C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736248654 602461663 /nfs/dbraw/zinc/46/16/63/602461663.db2.gz NCPZCXBHDCLWTL-UHFFFAOYSA-N -1 0 332.322 3.827 20 0 EHADRM C[C@H](Cc1ccsc1)NC(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000738945961 602463280 /nfs/dbraw/zinc/46/32/80/602463280.db2.gz CVFLTPYETLATGA-CZUORRHYSA-N -1 0 346.452 3.584 20 0 EHADRM CC(C)[C@@H](C)N(C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1)C1CC1 ZINC000738763082 602463479 /nfs/dbraw/zinc/46/34/79/602463479.db2.gz AEKBCPOFTJGUKE-RHSMWYFYSA-N -1 0 332.444 3.811 20 0 EHADRM CC(C)[C@H](C)N(C(=O)CC[C@H](NC(=O)[O-])c1ccccc1)C1CC1 ZINC000738763122 602463493 /nfs/dbraw/zinc/46/34/93/602463493.db2.gz AEKBCPOFTJGUKE-YOEHRIQHSA-N -1 0 332.444 3.811 20 0 EHADRM Cc1ccc(N(C)C(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000740130360 602470732 /nfs/dbraw/zinc/47/07/32/602470732.db2.gz TWXQGODZUKXPJA-QGZVFWFLSA-N -1 0 326.396 3.747 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N[C@H]2CCCc3ccccc32)ccc1F ZINC000740696483 602481283 /nfs/dbraw/zinc/48/12/83/602481283.db2.gz RNZUDNRYVAQAFM-HNNXBMFYSA-N -1 0 328.343 3.723 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(F)c(NC(=O)[O-])c2)[C@@H]2CCCC[C@@H]12 ZINC000739112354 602484586 /nfs/dbraw/zinc/48/45/86/602484586.db2.gz HMYPSJHEIZQUCK-PVXIVEMSSA-N -1 0 334.391 3.956 20 0 EHADRM Cc1cc(N(C)C)ccc1NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000740076877 602484865 /nfs/dbraw/zinc/48/48/65/602484865.db2.gz GXGUDALQBCOZMA-UHFFFAOYSA-N -1 0 331.347 3.542 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CCCCc3ccccc32)ccc1F ZINC000740695618 602485146 /nfs/dbraw/zinc/48/51/46/602485146.db2.gz JOEBBRWYIRLCJO-UHFFFAOYSA-N -1 0 328.343 3.899 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N[C@H]2CCCOc3ccccc32)ccc1F ZINC000740696289 602487308 /nfs/dbraw/zinc/48/73/08/602487308.db2.gz PVHQJBDMROYOAA-AWEZNQCLSA-N -1 0 344.342 3.559 20 0 EHADRM CCOc1cc(NC(=O)c2ccc(F)c(NC(=O)[O-])c2)ccc1C ZINC000739499676 602487667 /nfs/dbraw/zinc/48/76/67/602487667.db2.gz YJHZBICJUDGDFU-UHFFFAOYSA-N -1 0 332.331 3.875 20 0 EHADRM Cc1ccccc1CC(C)(C)NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000740180307 602488710 /nfs/dbraw/zinc/48/87/10/602488710.db2.gz DXACJCQOWCAWAD-UHFFFAOYSA-N -1 0 344.386 3.975 20 0 EHADRM C[C@H](CCNC(=O)c1cc(-c2ccccc2)ccc1Cl)NC(=O)[O-] ZINC000738908091 602495174 /nfs/dbraw/zinc/49/51/74/602495174.db2.gz WJFLPGKFRGFTQN-GFCCVEGCSA-N -1 0 346.814 3.783 20 0 EHADRM Cc1ccc(C)c(OCCC(=O)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000740119279 602499370 /nfs/dbraw/zinc/49/93/70/602499370.db2.gz NMOQUZUBOXTZDG-UHFFFAOYSA-N -1 0 328.368 3.801 20 0 EHADRM CCOc1ccccc1CCC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739508305 602499841 /nfs/dbraw/zinc/49/98/41/602499841.db2.gz ZXTRAFFNFLVFTE-UHFFFAOYSA-N -1 0 328.368 3.747 20 0 EHADRM COc1ccccc1C(C)=CC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738118615 602505168 /nfs/dbraw/zinc/50/51/68/602505168.db2.gz ATIADKKIDJIUSJ-QXMHVHEDSA-N -1 0 326.352 3.827 20 0 EHADRM CN(C)c1ccc([C@H]2C[C@@H]2C(=O)Nc2ccccc2NC(=O)[O-])cc1 ZINC000739616426 602512098 /nfs/dbraw/zinc/51/20/98/602512098.db2.gz CCSDCTLNGXFHTA-CABCVRRESA-N -1 0 339.395 3.585 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)c2[nH]c3ccccc3c2Cl)c1 ZINC000740679600 602514212 /nfs/dbraw/zinc/51/42/12/602514212.db2.gz DXIGFTHDWFBDKW-UHFFFAOYSA-N -1 0 343.770 3.841 20 0 EHADRM CC(C)c1ccc([C@H](C)NC(=O)N2CCC(N(C)C(=O)[O-])CC2)cc1 ZINC000737650637 602540176 /nfs/dbraw/zinc/54/01/76/602540176.db2.gz IJJSFYHCEAUBNW-AWEZNQCLSA-N -1 0 347.459 3.655 20 0 EHADRM CCCCc1ccc(NC(=O)N2CCC(N(C)C(=O)[O-])CC2)cc1 ZINC000737817851 602557588 /nfs/dbraw/zinc/55/75/88/602557588.db2.gz XHPWHNVSAPYJSP-UHFFFAOYSA-N -1 0 333.432 3.635 20 0 EHADRM COc1ccc(NC(=O)N[C@@H](C)c2ccccc2)cc1NC(=O)[O-] ZINC000739922201 602560154 /nfs/dbraw/zinc/56/01/54/602560154.db2.gz RBBCJRAITOOQCG-NSHDSACASA-N -1 0 329.356 3.668 20 0 EHADRM Cc1cccc(NC(=O)N2CCC[C@H]([C@@H]3CCCN3C(=O)[O-])C2)c1C ZINC000740171720 602579880 /nfs/dbraw/zinc/57/98/80/602579880.db2.gz STPPOWUCQYLMAH-RDJZCZTQSA-N -1 0 345.443 3.690 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)cc1F ZINC000740142125 602581191 /nfs/dbraw/zinc/58/11/91/602581191.db2.gz VDFUVTUTBLFPNK-CJNGLKHVSA-N -1 0 349.406 3.520 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)cc1 ZINC000740709930 602600414 /nfs/dbraw/zinc/60/04/14/602600414.db2.gz VXGMLPGMBNNWMR-ZAQWFSBCSA-N -1 0 329.400 3.819 20 0 EHADRM Cc1ccc(CN(C(=O)Nc2ccc(NC(=O)[O-])cc2)C2CC2)o1 ZINC000740120552 602601082 /nfs/dbraw/zinc/60/10/82/602601082.db2.gz BDTPZDSEHGHYCL-UHFFFAOYSA-N -1 0 329.356 3.874 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000738750677 602602721 /nfs/dbraw/zinc/60/27/21/602602721.db2.gz LXBNPOAMQMHIIC-UHFFFAOYSA-N -1 0 327.384 3.876 20 0 EHADRM COc1ccc(CN(C)C(=O)Nc2ccc(NC(=O)[O-])cc2)cc1C ZINC000737994555 602603292 /nfs/dbraw/zinc/60/32/92/602603292.db2.gz IGEPYYNCYCAGPF-UHFFFAOYSA-N -1 0 343.383 3.757 20 0 EHADRM COc1ccc(C(=O)Nc2cc(NC(=O)[O-])ccc2F)c(Cl)c1 ZINC000739881719 602625782 /nfs/dbraw/zinc/62/57/82/602625782.db2.gz LQDOYUSCTVANHH-UHFFFAOYSA-N -1 0 338.722 3.830 20 0 EHADRM O=C([O-])N1CCC(NC(=O)CC2CCC(c3ccccc3)CC2)CC1 ZINC000738455242 602637970 /nfs/dbraw/zinc/63/79/70/602637970.db2.gz WXAGFQMYJKPAPO-UHFFFAOYSA-N -1 0 344.455 3.609 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)CCc2ccco2)c(C(F)(F)F)c1 ZINC000740708869 602643844 /nfs/dbraw/zinc/64/38/44/602643844.db2.gz MIFXZNUARLGUAV-UHFFFAOYSA-N -1 0 342.273 3.960 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)Nc2ccc(NC(=O)[O-])cc2)c(C)c1 ZINC000740064170 602645695 /nfs/dbraw/zinc/64/56/95/602645695.db2.gz OLWJISHACSZYEP-UHFFFAOYSA-N -1 0 334.397 3.503 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)OC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000739278293 602651619 /nfs/dbraw/zinc/65/16/19/602651619.db2.gz MXLOQTXEUIVYRS-DXBFTMOHSA-N -1 0 349.452 3.774 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)OCc2csc(-c3ccoc3)n2)c1 ZINC000740039166 602653719 /nfs/dbraw/zinc/65/37/19/602653719.db2.gz JUQXWHANYRFLJE-UHFFFAOYSA-N -1 0 344.348 3.850 20 0 EHADRM C[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000738949223 602656730 /nfs/dbraw/zinc/65/67/30/602656730.db2.gz MSKMHOPCUQZYBB-AWEZNQCLSA-N -1 0 326.396 3.614 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)NC2(c3ccc(Cl)cc3)CC2)c1 ZINC000740028984 602687996 /nfs/dbraw/zinc/68/79/96/602687996.db2.gz MTIAZNWYYYWEHT-UHFFFAOYSA-N -1 0 330.771 3.849 20 0 EHADRM CC[C@@H](C)c1ccccc1OC(=O)c1csc(CNC(=O)[O-])n1 ZINC000739250543 602694460 /nfs/dbraw/zinc/69/44/60/602694460.db2.gz UKFWMMXVSNRBRJ-SNVBAGLBSA-N -1 0 334.397 3.643 20 0 EHADRM Cc1nc2c(s1)[C@H](OC(=O)Cc1ccc(NC(=O)[O-])cc1)CCC2 ZINC000740231806 602749049 /nfs/dbraw/zinc/74/90/49/602749049.db2.gz ABGQUZBQUPPONW-CQSZACIVSA-N -1 0 346.408 3.705 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N(C)CC1CCCC1 ZINC000829167430 602764737 /nfs/dbraw/zinc/76/47/37/602764737.db2.gz LCMRCTNVOUAALP-UHFFFAOYSA-N -1 0 340.807 3.701 20 0 EHADRM CC(C)(CCC(=O)Nc1ccc(-c2nccs2)cc1)NC(=O)[O-] ZINC000738742022 602784508 /nfs/dbraw/zinc/78/45/08/602784508.db2.gz WYICSFHTYLQIAR-UHFFFAOYSA-N -1 0 333.413 3.575 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)c2ncoc2-c2ccccc2)c1 ZINC000740704535 602786126 /nfs/dbraw/zinc/78/61/26/602786126.db2.gz OZQDXFPYLNFJQH-UHFFFAOYSA-N -1 0 341.298 3.823 20 0 EHADRM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCCC2CCCC2)C1 ZINC000831427461 602789786 /nfs/dbraw/zinc/78/97/86/602789786.db2.gz CXTADSINPPZGKQ-IAGOWNOFSA-N -1 0 336.476 3.728 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000738945471 602790780 /nfs/dbraw/zinc/79/07/80/602790780.db2.gz ABUUJMXHDQQROF-SNVBAGLBSA-N -1 0 334.322 3.872 20 0 EHADRM COc1ccc(NC(=O)[C@H](C)Cc2ccccc2F)cc1NC(=O)[O-] ZINC000739917882 602791312 /nfs/dbraw/zinc/79/13/12/602791312.db2.gz YLJGIVNMCZFUDI-LLVKDONJSA-N -1 0 346.358 3.742 20 0 EHADRM CC(C)(CCC(=O)NC(C)(C)c1ccc(Cl)cc1)NC(=O)[O-] ZINC000738744937 602802351 /nfs/dbraw/zinc/80/23/51/602802351.db2.gz VDUURIYHRSLEOQ-UHFFFAOYSA-N -1 0 326.824 3.518 20 0 EHADRM CC(C)(CCC(=O)OCc1cnc(-c2ccccc2)s1)NC(=O)[O-] ZINC000738746493 602803779 /nfs/dbraw/zinc/80/37/79/602803779.db2.gz WJLWVHZVOYZLDT-UHFFFAOYSA-N -1 0 348.424 3.680 20 0 EHADRM Cc1ccc(N(C)C(=O)[C@@H](C)[C@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000830332762 602807427 /nfs/dbraw/zinc/80/74/27/602807427.db2.gz BXHGPFAIUZUADB-YOEHRIQHSA-N -1 0 326.396 3.603 20 0 EHADRM Cc1ccc(C(=O)NCCc2csc(C(C)C)n2)cc1NC(=O)[O-] ZINC000830219981 602816120 /nfs/dbraw/zinc/81/61/20/602816120.db2.gz LWQGOIVOBBPETD-UHFFFAOYSA-N -1 0 347.440 3.637 20 0 EHADRM COc1ccc(NC(=O)[C@H](C)[C@H](NC(=O)[O-])c2ccccc2)c(C)c1 ZINC000829441402 602823900 /nfs/dbraw/zinc/82/39/00/602823900.db2.gz HRKGDLJQAURBDN-DYVFJYSZSA-N -1 0 342.395 3.587 20 0 EHADRM CC(C)CC[C@H](NC(=O)N1CC[C@H](NC(=O)[O-])[C@@H](C)C1)C(C)(C)C ZINC000738818372 602836322 /nfs/dbraw/zinc/83/63/22/602836322.db2.gz GPKCYRKSBXUBGY-KKUMJFAQSA-N -1 0 341.496 3.525 20 0 EHADRM CCCCC[C@H](NC(=O)N1CC[C@H](NC(=O)[O-])[C@H](C)C1)C(C)(C)C ZINC000739327810 602837154 /nfs/dbraw/zinc/83/71/54/602837154.db2.gz AJUGJHAUVWLNJG-ILXRZTDVSA-N -1 0 341.496 3.669 20 0 EHADRM O=C([O-])NC1(c2noc(-c3ccccc3C(F)(F)F)n2)CCCC1 ZINC000740549269 602841619 /nfs/dbraw/zinc/84/16/19/602841619.db2.gz QPMXPZONYZTILV-UHFFFAOYSA-N -1 0 341.289 3.792 20 0 EHADRM COc1ccc(CN(C)C(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1C ZINC000829362034 602843181 /nfs/dbraw/zinc/84/31/81/602843181.db2.gz JCJPHOYEJGEVPX-UHFFFAOYSA-N -1 0 342.395 3.674 20 0 EHADRM Cc1ccc(C[C@@H]2CCCN2C(=O)c2ccc(NC(=O)[O-])cc2)cc1 ZINC000738267437 602844470 /nfs/dbraw/zinc/84/44/70/602844470.db2.gz FKENERRNZUEEPH-SFHVURJKSA-N -1 0 338.407 3.932 20 0 EHADRM C[C@H](C(=O)N(C1CC1)C1CCCC1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823654443 602848486 /nfs/dbraw/zinc/84/84/86/602848486.db2.gz JSWMBTWHMMHAED-GUYCJALGSA-N -1 0 330.428 3.565 20 0 EHADRM CN(CCCNC(=O)c1ccccc1Sc1ccccc1)C(=O)[O-] ZINC000739680421 602854724 /nfs/dbraw/zinc/85/47/24/602854724.db2.gz UELXQTYSBCBIQK-UHFFFAOYSA-N -1 0 344.436 3.568 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN(C(=O)c2cccc(NC(=O)[O-])c2)C1 ZINC000736742238 602855407 /nfs/dbraw/zinc/85/54/07/602855407.db2.gz PSSOOEAJBSTSDB-HXUWFJFHSA-N -1 0 338.407 3.970 20 0 EHADRM C[C@@H](NC(=O)c1ccc(NC(=O)[O-])cc1Cl)c1cccc(O)c1 ZINC000739023428 602857947 /nfs/dbraw/zinc/85/79/47/602857947.db2.gz MVFOGZCIKPCWMI-SECBINFHSA-N -1 0 334.759 3.627 20 0 EHADRM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)Nc1cccc(C(C)C)c1 ZINC000739967508 602885791 /nfs/dbraw/zinc/88/57/91/602885791.db2.gz HXFUUIIHNOCTFH-QGZVFWFLSA-N -1 0 342.395 3.766 20 0 EHADRM O=C([O-])N1CCC(C(=O)Nc2ccc(OC3CCCCC3)cc2)CC1 ZINC000738512515 602910223 /nfs/dbraw/zinc/91/02/23/602910223.db2.gz YJGOBASISRGUCJ-UHFFFAOYSA-N -1 0 346.427 3.727 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N1CCCC(C)(C)C1 ZINC000829173564 602922203 /nfs/dbraw/zinc/92/22/03/602922203.db2.gz LBLUEGAIIXZDAI-UHFFFAOYSA-N -1 0 340.807 3.701 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc([C@@H](C)Cc2ccccc2F)n1 ZINC000738817127 602930265 /nfs/dbraw/zinc/93/02/65/602930265.db2.gz QDSOQTCYLNGEPX-SMDDNHRTSA-N -1 0 335.379 3.910 20 0 EHADRM CCSc1cccc(NC(=O)[C@@H](CNC(=O)[O-])c2ccccc2)c1 ZINC000827509140 602936979 /nfs/dbraw/zinc/93/69/79/602936979.db2.gz ZBUNMDJSQPSENL-INIZCTEOSA-N -1 0 344.436 3.789 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)N[C@@H]1CCCCN(C(=O)[O-])C1 ZINC000738725464 602939358 /nfs/dbraw/zinc/93/93/58/602939358.db2.gz NRZLKRFHEQDPHO-CYBMUJFWSA-N -1 0 333.432 3.638 20 0 EHADRM COc1ccc(NC(=O)Nc2cccc3[nH]ccc32)cc1NC(=O)[O-] ZINC000739919912 602942769 /nfs/dbraw/zinc/94/27/69/602942769.db2.gz GMTJHGXVVYOPRG-UHFFFAOYSA-N -1 0 340.339 3.910 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)Nc1ccc(-c2ccccc2)cc1F ZINC000740571472 602952499 /nfs/dbraw/zinc/95/24/99/602952499.db2.gz PIJHIHJYYHAUDB-GDBMZVCRSA-N -1 0 342.370 3.868 20 0 EHADRM CS[C@H](C(=O)Nc1cccc(CN(C)C(=O)[O-])c1)c1ccccc1 ZINC000740001360 602954637 /nfs/dbraw/zinc/95/46/37/602954637.db2.gz PSQQSJQIKFBNTC-INIZCTEOSA-N -1 0 344.436 3.839 20 0 EHADRM COCCc1ccc(OC(=O)c2ccc(NC(=O)[O-])cc2Cl)cc1 ZINC000739836046 602958968 /nfs/dbraw/zinc/95/89/68/602958968.db2.gz DNYBCYAZYGCDBH-UHFFFAOYSA-N -1 0 349.770 3.838 20 0 EHADRM Cc1ncsc1CCOC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000740243521 602960990 /nfs/dbraw/zinc/96/09/90/602960990.db2.gz WMGSTZRDXQCJCM-UHFFFAOYSA-N -1 0 340.788 3.594 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)[C@H](C)c2cccc(C)c2)c1 ZINC000739923249 602961253 /nfs/dbraw/zinc/96/12/53/602961253.db2.gz WWQOGTVDYLATBH-GFCCVEGCSA-N -1 0 328.368 3.836 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)[C@@H](C)c2cccc(C)c2)c1 ZINC000739923253 602961272 /nfs/dbraw/zinc/96/12/72/602961272.db2.gz WWQOGTVDYLATBH-LBPRGKRZSA-N -1 0 328.368 3.836 20 0 EHADRM CC(C)[C@@H](OC(=O)Cc1ccc(NC(=O)[O-])cc1)c1ccccn1 ZINC000738799604 602996383 /nfs/dbraw/zinc/99/63/83/602996383.db2.gz JGUFDHOSJXUCKK-QGZVFWFLSA-N -1 0 328.368 3.655 20 0 EHADRM Cc1csc([C@H](NC(=O)c2ccc(C)c(NC(=O)[O-])c2)C2CC2)n1 ZINC000830660239 602997668 /nfs/dbraw/zinc/99/76/68/602997668.db2.gz CEOKEUVMRRWVGK-CQSZACIVSA-N -1 0 345.424 3.731 20 0 EHADRM CC(C)c1cnc(NC(=O)[C@H](C)[C@H](NC(=O)[O-])c2ccccc2)s1 ZINC000824476003 603010430 /nfs/dbraw/zinc/01/04/30/603010430.db2.gz FMGGMPQPOMVSEO-RISCZKNCSA-N -1 0 347.440 3.850 20 0 EHADRM COc1ccc2oc(-c3nc([C@@H](C)CN(C)C(=O)[O-])no3)c(C)c2c1 ZINC000739939242 603012794 /nfs/dbraw/zinc/01/27/94/603012794.db2.gz BEDKRFPVQIITLX-VIFPVBQESA-N -1 0 345.355 3.513 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc1 ZINC000739545263 603014502 /nfs/dbraw/zinc/01/45/02/603014502.db2.gz UJCFNFQBLWOBHF-DXJOGWAWSA-N -1 0 344.455 3.532 20 0 EHADRM C[C@@H](CN(C)C(=O)[O-])c1noc(-c2cccc(Cl)c2Cl)n1 ZINC000738913239 603022979 /nfs/dbraw/zinc/02/29/79/603022979.db2.gz ZQRRCONMCKPWBA-ZETCQYMHSA-N -1 0 330.171 3.757 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)Nc1cccc(NC2CCCC2)c1 ZINC000739241718 603027773 /nfs/dbraw/zinc/02/77/73/603027773.db2.gz VZESMRFAKSEJDS-MLGOLLRUSA-N -1 0 333.432 3.662 20 0 EHADRM C[C@@H](c1ccccn1)N(C)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739057657 603032270 /nfs/dbraw/zinc/03/22/70/603032270.db2.gz DYICIHZQXTWQKA-JTQLQIEISA-N -1 0 332.335 3.536 20 0 EHADRM C[C@@H](CNC(=O)Nc1cc(NC(=O)[O-])ccc1F)c1ccccc1 ZINC000738920531 603032484 /nfs/dbraw/zinc/03/24/84/603032484.db2.gz ODQXGJNBEDSZCB-NSHDSACASA-N -1 0 331.347 3.841 20 0 EHADRM CCOc1ccc(CCC(=O)Oc2ccc(N(C)C(=O)[O-])cc2)cc1 ZINC000827427408 603040067 /nfs/dbraw/zinc/04/00/67/603040067.db2.gz IKCWRNBBAPHHFK-UHFFFAOYSA-N -1 0 343.379 3.738 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)Nc2cc(NC(=O)[O-])ccc2F)cs1 ZINC000740220456 603043437 /nfs/dbraw/zinc/04/34/37/603043437.db2.gz YUVSBIATBPJEPR-SSDOTTSWSA-N -1 0 338.364 3.563 20 0 EHADRM COc1cccc([C@H]2C[C@H]2C(=O)Oc2ccc(N(C)C(=O)[O-])cc2)c1 ZINC000829550953 603046921 /nfs/dbraw/zinc/04/69/21/603046921.db2.gz VMKQQSBOSGHTQV-IAGOWNOFSA-N -1 0 341.363 3.519 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1)NC(=O)[O-] ZINC000824696132 603054768 /nfs/dbraw/zinc/05/47/68/603054768.db2.gz QQOHYPIWEKSRHY-JTQLQIEISA-N -1 0 349.774 3.512 20 0 EHADRM O=C([O-])NC1CCC(NC(=O)c2sccc2-c2ccccc2)CC1 ZINC000740559984 603072049 /nfs/dbraw/zinc/07/20/49/603072049.db2.gz PYDBZVIHNCMRSE-UHFFFAOYSA-N -1 0 344.436 3.724 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000739234890 603080604 /nfs/dbraw/zinc/08/06/04/603080604.db2.gz LXYVYUMUVIXTLR-GUYCJALGSA-N -1 0 348.443 3.767 20 0 EHADRM Cc1cc(NC(=O)C2CCC(NC(=O)[O-])CC2)c2cccnc2c1C ZINC000830098882 603081762 /nfs/dbraw/zinc/08/17/62/603081762.db2.gz XVPVMMQMWCYUIU-UHFFFAOYSA-N -1 0 341.411 3.617 20 0 EHADRM CN(CCc1cccs1)C(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000828341368 603088649 /nfs/dbraw/zinc/08/86/49/603088649.db2.gz MPWMBKURLXWHDV-INIZCTEOSA-N -1 0 346.452 3.538 20 0 EHADRM O=C([O-])Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)nc1 ZINC000740701745 603100516 /nfs/dbraw/zinc/10/05/16/603100516.db2.gz JZQURRVKKXEMEV-UHFFFAOYSA-N -1 0 343.236 3.582 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)c(C)c1 ZINC000740108726 603166479 /nfs/dbraw/zinc/16/64/79/603166479.db2.gz BHPRHDJAXZKIFE-XHSDSOJGSA-N -1 0 332.444 3.649 20 0 EHADRM Cc1cccc(C)c1NC(=S)N[C@@](C)(CNC(=O)[O-])CC(C)C ZINC000740167936 603173949 /nfs/dbraw/zinc/17/39/49/603173949.db2.gz XMBKJKVOMZTOEH-QGZVFWFLSA-N -1 0 337.489 3.662 20 0 EHADRM O=C([O-])N1CCc2c(cccc2NC(=O)c2ccccc2Cl)C1 ZINC000740474044 603175278 /nfs/dbraw/zinc/17/52/78/603175278.db2.gz NDBMIKMPRVFZFS-UHFFFAOYSA-N -1 0 330.771 3.628 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)[C@H](C)Oc2cccc(F)c2)cc1 ZINC000825617506 603175502 /nfs/dbraw/zinc/17/55/02/603175502.db2.gz QGRTXBCIOABBHI-RYUDHWBXSA-N -1 0 346.358 3.560 20 0 EHADRM Cc1cc(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)nn1C(C)(C)C ZINC000829966018 603177761 /nfs/dbraw/zinc/17/77/61/603177761.db2.gz PBAQUANAPXQPOL-GFCCVEGCSA-N -1 0 344.415 3.527 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)cc1C ZINC000740116591 603181697 /nfs/dbraw/zinc/18/16/97/603181697.db2.gz AVJUVTLYYISNFK-BZSNNMDCSA-N -1 0 344.455 3.793 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)CCOc2cccc(F)c2)cc1 ZINC000825418931 603189435 /nfs/dbraw/zinc/18/94/35/603189435.db2.gz ZNECOKDMPUEHEE-LBPRGKRZSA-N -1 0 346.358 3.562 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)CCOc2cccc(F)c2)cc1 ZINC000825418930 603189610 /nfs/dbraw/zinc/18/96/10/603189610.db2.gz ZNECOKDMPUEHEE-GFCCVEGCSA-N -1 0 346.358 3.562 20 0 EHADRM CO[C@](C)(C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1)c1ccccc1 ZINC000828817848 603193795 /nfs/dbraw/zinc/19/37/95/603193795.db2.gz OMJOFYOEOUWTJR-YJYMSZOUSA-N -1 0 342.395 3.516 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2ccc(F)cc2F)c(Cl)c1 ZINC000740700372 603201212 /nfs/dbraw/zinc/20/12/12/603201212.db2.gz JPKMPILDINAIPT-UHFFFAOYSA-N -1 0 326.686 3.960 20 0 EHADRM O=C([O-])N[C@@H](CNc1cccc(C(F)(F)F)n1)c1ccccc1 ZINC000832139914 603201737 /nfs/dbraw/zinc/20/17/37/603201737.db2.gz DUVYIWJJTNYBTJ-NSHDSACASA-N -1 0 325.290 3.521 20 0 EHADRM Cc1ccc(C(=O)Nc2ccnn2-c2ccccc2)cc1NC(=O)[O-] ZINC000830234256 603203836 /nfs/dbraw/zinc/20/38/36/603203836.db2.gz PPKQTQXKNVKQNM-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM CN(Cc1ccc(F)cc1)C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739710467 603204108 /nfs/dbraw/zinc/20/41/08/603204108.db2.gz UVOGNCDGUVFTQT-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM Cc1ccc(NC(=O)[C@@H](C)[C@H](NC(=O)[O-])c2ccccc2)c(C)c1 ZINC000830354057 603211855 /nfs/dbraw/zinc/21/18/55/603211855.db2.gz XKRFEHPWSCUXRD-YOEHRIQHSA-N -1 0 326.396 3.887 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NCc2ccc(F)c(F)c2)c(Cl)c1 ZINC000740698630 603214772 /nfs/dbraw/zinc/21/47/72/603214772.db2.gz RRZCJGZCRNTCMM-UHFFFAOYSA-N -1 0 340.713 3.638 20 0 EHADRM CCSCc1cccc(NC(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)c1 ZINC000739515930 603217845 /nfs/dbraw/zinc/21/78/45/603217845.db2.gz CSWRRYARKPBNBI-UKRRQHHQSA-N -1 0 336.457 3.705 20 0 EHADRM CC(C)(C)n1nccc1NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000738728980 603228471 /nfs/dbraw/zinc/22/84/71/603228471.db2.gz GPRAMYQSJRBVEU-UHFFFAOYSA-N -1 0 336.779 3.634 20 0 EHADRM O=C([O-])N1CC[C@H](C(=O)Nc2ccccc2Oc2cccc(F)c2)C1 ZINC000740477156 603229751 /nfs/dbraw/zinc/22/97/51/603229751.db2.gz WBAJNSSIMRACRB-LBPRGKRZSA-N -1 0 344.342 3.556 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@H]2C[C@H]2c2ccccc2)c(Cl)c1 ZINC000740698441 603231033 /nfs/dbraw/zinc/23/10/33/603231033.db2.gz LFJXJAAJGQFRFJ-ZFWWWQNUSA-N -1 0 330.771 3.716 20 0 EHADRM CC(C)c1ccc([C@H](C)NC(=O)c2ccc(CNC(=O)[O-])o2)cc1 ZINC000824464793 603234255 /nfs/dbraw/zinc/23/42/55/603234255.db2.gz WBOTXYRXDLFUOC-LBPRGKRZSA-N -1 0 330.384 3.662 20 0 EHADRM CC[C@@H](C)Sc1ccc(NC(=O)[C@@H]2CCN(C(=O)[O-])C2)c(C)c1 ZINC000739249854 603235027 /nfs/dbraw/zinc/23/50/27/603235027.db2.gz PDFROVUTFFZYJH-CHWSQXEVSA-N -1 0 336.457 3.824 20 0 EHADRM C[C@@H](C(=O)NCCC1=CCCCC1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823693147 603239424 /nfs/dbraw/zinc/23/94/24/603239424.db2.gz JUWRCUAPIBTZLK-PBHICJAKSA-N -1 0 330.428 3.638 20 0 EHADRM COc1ccc(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)c(C)c1 ZINC000739922627 603239800 /nfs/dbraw/zinc/23/98/00/603239800.db2.gz BZHYDYFVQDYDDH-UHFFFAOYSA-N -1 0 334.759 3.999 20 0 EHADRM Cc1csc([C@H](C)NC(=O)c2ccc(NC(=O)[O-])cc2Cl)n1 ZINC000740202937 603241321 /nfs/dbraw/zinc/24/13/21/603241321.db2.gz BHPINDKXLVRLMA-QMMMGPOBSA-N -1 0 339.804 3.686 20 0 EHADRM COc1ccc([C@H](C)NC(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1F ZINC000829303075 603245939 /nfs/dbraw/zinc/24/59/39/603245939.db2.gz MJMJFGMHPOLXDJ-NSHDSACASA-N -1 0 346.358 3.724 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NC[C@H]2CCc3ccccc32)c(Cl)c1 ZINC000740699490 603247774 /nfs/dbraw/zinc/24/77/74/603247774.db2.gz UNDABOBFFLBPPP-GFCCVEGCSA-N -1 0 344.798 3.890 20 0 EHADRM COc1cc(C)ccc1OC(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000829101983 603253742 /nfs/dbraw/zinc/25/37/42/603253742.db2.gz PUDAZLNOFTWJPI-GUYCJALGSA-N -1 0 343.379 3.554 20 0 EHADRM Cc1nc2cc(NC(=O)c3ccc(C)c(NC(=O)[O-])c3)ccc2o1 ZINC000830784881 603258073 /nfs/dbraw/zinc/25/80/73/603258073.db2.gz DUCIBPDICLFNKC-UHFFFAOYSA-N -1 0 325.324 3.787 20 0 EHADRM CCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc(NC(=O)[O-])c2)C12CCCC2 ZINC000737158892 603260972 /nfs/dbraw/zinc/26/09/72/603260972.db2.gz USQZWYIIXMDGGK-HZPDHXFCSA-N -1 0 346.427 3.586 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N[C@@H](C)CCC(C)C ZINC000829175136 603280912 /nfs/dbraw/zinc/28/09/12/603280912.db2.gz ZBXIJQUVTFSDNJ-JTQLQIEISA-N -1 0 342.823 3.993 20 0 EHADRM C[C@H](C(=O)Nc1ccc2[nH]ccc2c1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823713172 603283231 /nfs/dbraw/zinc/28/32/31/603283231.db2.gz MFUKICKLJUHSOA-SJCJKPOMSA-N -1 0 337.379 3.751 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)Nc2ccc(Cl)nc2)cc1 ZINC000825442648 603290394 /nfs/dbraw/zinc/29/03/94/603290394.db2.gz MDGOBMIEPLAZQK-VIFPVBQESA-N -1 0 334.763 3.708 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)o1 ZINC000740114555 603290505 /nfs/dbraw/zinc/29/05/05/603290505.db2.gz RWZIZVFEJIXYNU-LBPRGKRZSA-N -1 0 343.383 3.507 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)o1 ZINC000740114554 603290614 /nfs/dbraw/zinc/29/06/14/603290614.db2.gz RWZIZVFEJIXYNU-GFCCVEGCSA-N -1 0 343.383 3.507 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)N2CCCCC[C@H]2c2ccco2)cc1 ZINC000740671354 603295251 /nfs/dbraw/zinc/29/52/51/603295251.db2.gz OUVWEXMLCLYKMV-INIZCTEOSA-N -1 0 342.395 3.805 20 0 EHADRM C[C@H]1CCC[C@H](C)N(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])C1 ZINC000825888016 603301310 /nfs/dbraw/zinc/30/13/10/603301310.db2.gz NIHUBMXKRUPQPF-STQMWFEESA-N -1 0 331.416 3.770 20 0 EHADRM CCOc1ccccc1[C@H](C)NC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000827452684 603301317 /nfs/dbraw/zinc/30/13/17/603301317.db2.gz DPCQQXAMFVIESP-ZDUSSCGKSA-N -1 0 342.395 3.975 20 0 EHADRM CSc1ccc(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)nc1 ZINC000740019610 603316138 /nfs/dbraw/zinc/31/61/38/603316138.db2.gz LHQGJPDCAAEHPP-UHFFFAOYSA-N -1 0 337.788 3.799 20 0 EHADRM CC[C@H]1CCCN(C(=O)c2cc(Cl)c(NC(=O)[O-])cc2OC)C1 ZINC000826676529 603321036 /nfs/dbraw/zinc/32/10/36/603321036.db2.gz ZEINLBONUMDLLK-JTQLQIEISA-N -1 0 340.807 3.701 20 0 EHADRM CCOc1c(F)cccc1C(=O)Nc1ccc(OC)c(NC(=O)[O-])c1 ZINC000827410345 603321163 /nfs/dbraw/zinc/32/11/63/603321163.db2.gz YCCSRSCSEQPCIV-UHFFFAOYSA-N -1 0 348.330 3.575 20 0 EHADRM C[C@@H]1c2ccccc2CCN1C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739210072 603325130 /nfs/dbraw/zinc/32/51/30/603325130.db2.gz XFLDGJKQHHCADC-CYBMUJFWSA-N -1 0 339.395 3.605 20 0 EHADRM CCN(CCc1cccs1)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739439133 603329162 /nfs/dbraw/zinc/32/91/62/603329162.db2.gz JAYXJDWFVVMCBX-UHFFFAOYSA-N -1 0 347.440 3.612 20 0 EHADRM CCN(Cc1cccs1)C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000739443308 603335880 /nfs/dbraw/zinc/33/58/80/603335880.db2.gz DCWYQSIHOXWZEE-UHFFFAOYSA-N -1 0 347.440 3.912 20 0 EHADRM CC[C@H]1CCCN(C(=O)Nc2ccccc2CN(C)C(=O)[O-])CC1 ZINC000739272802 603338209 /nfs/dbraw/zinc/33/82/09/603338209.db2.gz QVTCWRFKWFOGCV-AWEZNQCLSA-N -1 0 333.432 3.840 20 0 EHADRM CCN(CCC(F)(F)F)C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000739415883 603340865 /nfs/dbraw/zinc/34/08/65/603340865.db2.gz WFNQDCVTDHNGJD-UHFFFAOYSA-N -1 0 347.337 3.603 20 0 EHADRM C[C@@H](Cc1cccs1)NC(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000738948228 603357952 /nfs/dbraw/zinc/35/79/52/603357952.db2.gz JYDRPESNMNWVTQ-LBPRGKRZSA-N -1 0 347.440 3.611 20 0 EHADRM Cc1ccc(C(=O)NCc2ccc([C@H]3C[C@H]3C)o2)cc1NC(=O)[O-] ZINC000830220012 603364164 /nfs/dbraw/zinc/36/41/64/603364164.db2.gz MECIYZOLTDUOFS-RISCZKNCSA-N -1 0 328.368 3.731 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1)c1ccncc1 ZINC000826613584 603366617 /nfs/dbraw/zinc/36/66/17/603366617.db2.gz MMVINKZJWBNPGF-LRDDRELGSA-N -1 0 342.399 3.683 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N(C)Cc2ccccc2F)cc1 ZINC000825423315 603367513 /nfs/dbraw/zinc/36/75/13/603367513.db2.gz OMFYMXUDNDFQQT-LBPRGKRZSA-N -1 0 345.374 3.818 20 0 EHADRM Cc1ccc(CCNC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1 ZINC000830303164 603367669 /nfs/dbraw/zinc/36/76/69/603367669.db2.gz VWDIDCOBDWVZBW-CQSZACIVSA-N -1 0 341.411 3.688 20 0 EHADRM Cc1ccccc1CN(C)C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000830573603 603369737 /nfs/dbraw/zinc/36/97/37/603369737.db2.gz PNYHPMVPSOAZLU-AWEZNQCLSA-N -1 0 341.411 3.988 20 0 EHADRM Cc1ccsc1CNC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000830620908 603373989 /nfs/dbraw/zinc/37/39/89/603373989.db2.gz SFDNXJXIGCGEPR-LLVKDONJSA-N -1 0 333.413 3.707 20 0 EHADRM Cc1csc([C@H](C)NC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)n1 ZINC000830654935 603375206 /nfs/dbraw/zinc/37/52/06/603375206.db2.gz CTDOMZIDAZQYAY-QWRGUYRKSA-N -1 0 348.428 3.663 20 0 EHADRM CCN(Cc1ccoc1)C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000827193838 603377084 /nfs/dbraw/zinc/37/70/84/603377084.db2.gz SSZXKHRGUGMJBD-LBPRGKRZSA-N -1 0 331.372 3.662 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)NC/C=C\c2ccccc2)cc1 ZINC000825433543 603380454 /nfs/dbraw/zinc/38/04/54/603380454.db2.gz FMTYEXQQSYKGNU-PODYEWJSSA-N -1 0 339.395 3.850 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739084553 603392988 /nfs/dbraw/zinc/39/29/88/603392988.db2.gz RDJQSIRWHQQRPM-SWLSCSKDSA-N -1 0 342.370 3.934 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)o1 ZINC000832692543 603406054 /nfs/dbraw/zinc/40/60/54/603406054.db2.gz YJHXEEUGSXMDNR-CVEARBPZSA-N -1 0 342.395 3.503 20 0 EHADRM Cc1ccc(C(=O)NC[C@@H](C)c2ccc(F)cc2)cc1NC(=O)[O-] ZINC000830211314 603407189 /nfs/dbraw/zinc/40/71/89/603407189.db2.gz MTBOUPFWJNSTPW-GFCCVEGCSA-N -1 0 330.359 3.758 20 0 EHADRM C[C@H](c1nc(Cc2ccccc2)no1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000825645305 603408260 /nfs/dbraw/zinc/40/82/60/603408260.db2.gz NTMWIIICAIUNFQ-SUMWQHHRSA-N -1 0 337.379 3.773 20 0 EHADRM C[C@@H](c1nc(Cc2ccccc2)no1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000825645303 603408360 /nfs/dbraw/zinc/40/83/60/603408360.db2.gz NTMWIIICAIUNFQ-DYVFJYSZSA-N -1 0 337.379 3.773 20 0 EHADRM Cc1nc(C2CCCC2)sc1-c1nc(C2(NC(=O)[O-])CCC2)no1 ZINC000830734376 603419270 /nfs/dbraw/zinc/41/92/70/603419270.db2.gz MAFRBOUEQTVVCY-UHFFFAOYSA-N -1 0 348.428 3.806 20 0 EHADRM C[C@H]1CCC[C@@H](OCC(=O)N2CCCN(C(=O)[O-])c3ccccc32)C1 ZINC000739094945 603430888 /nfs/dbraw/zinc/43/08/88/603430888.db2.gz JABJRCBMFCMGBD-LSDHHAIUSA-N -1 0 346.427 3.503 20 0 EHADRM C[C@@H](C(=O)N1CCCN(C(=O)[O-])c2ccccc21)c1cccc(F)c1 ZINC000738616749 603431613 /nfs/dbraw/zinc/43/16/13/603431613.db2.gz PYOVQBIXLAQTGM-CYBMUJFWSA-N -1 0 342.370 3.851 20 0 EHADRM CC(C)[C@H](CC1CCCCC1)C(=O)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737613015 603432120 /nfs/dbraw/zinc/43/21/20/603432120.db2.gz TVTIHYIMNOCAOQ-KRWDZBQOSA-N -1 0 338.492 3.830 20 0 EHADRM Cc1cc(F)ccc1NC(=O)N1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000830068064 603451083 /nfs/dbraw/zinc/45/10/83/603451083.db2.gz HAPNVCJDTGQMER-UHFFFAOYSA-N -1 0 349.406 3.520 20 0 EHADRM C[C@@H](NC(=S)NCCc1ccc(NC(=O)[O-])cc1)c1cccs1 ZINC000736660458 603461475 /nfs/dbraw/zinc/46/14/75/603461475.db2.gz KPEKOSCFWNLLGZ-LLVKDONJSA-N -1 0 349.481 3.606 20 0 EHADRM C[C@@H](CN(C)C(=O)[O-])c1noc(-c2cc(F)cc(C(F)(F)F)c2)n1 ZINC000824900671 603462788 /nfs/dbraw/zinc/46/27/88/603462788.db2.gz BWZIYHIVYFSUSE-ZETCQYMHSA-N -1 0 347.268 3.608 20 0 EHADRM Cc1ccc(-c2ocnc2C(=O)Oc2cccc(NC(=O)[O-])c2)cc1 ZINC000738250845 603474539 /nfs/dbraw/zinc/47/45/39/603474539.db2.gz SGUGTURXNMIVMR-UHFFFAOYSA-N -1 0 338.319 3.959 20 0 EHADRM Cc1[nH]c(-c2ccccc2)nc1C(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000829820843 603476672 /nfs/dbraw/zinc/47/66/72/603476672.db2.gz KAKZDBCGJVWSHT-UHFFFAOYSA-N -1 0 337.335 3.694 20 0 EHADRM COc1cc(NC(=O)C/C=C/c2ccc(F)cc2)ccc1NC(=O)[O-] ZINC000829154236 603478679 /nfs/dbraw/zinc/47/86/79/603478679.db2.gz WHOSNLUAKCHGGG-NSCUHMNNSA-N -1 0 344.342 3.966 20 0 EHADRM CN(C(=O)c1cc2sccc2s1)C1CCC(NC(=O)[O-])CC1 ZINC000827931590 603483665 /nfs/dbraw/zinc/48/36/65/603483665.db2.gz HRKKBIBTWBKEKI-UHFFFAOYSA-N -1 0 338.454 3.614 20 0 EHADRM C[C@@H](C(=O)Nc1cc(Cl)ccc1O)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823713303 603508201 /nfs/dbraw/zinc/50/82/01/603508201.db2.gz NJVGOPHAMQVUIE-BMIGLBTASA-N -1 0 348.786 3.629 20 0 EHADRM O=C([O-])Nc1ccc(C(F)(F)F)cc1NC(=O)CC[C@@H]1CCOC1 ZINC000832838758 603514333 /nfs/dbraw/zinc/51/43/33/603514333.db2.gz MEUFLVGSHIOWQJ-SECBINFHSA-N -1 0 346.305 3.551 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000827589315 603526550 /nfs/dbraw/zinc/52/65/50/603526550.db2.gz GNLBIEOILMLZPE-NEPJUHHUSA-N -1 0 338.835 3.840 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000829167149 603530961 /nfs/dbraw/zinc/53/09/61/603530961.db2.gz GQLXTTMMVXULJC-UWVGGRQHSA-N -1 0 340.807 3.842 20 0 EHADRM C[C@H](C(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F)C(F)(F)F ZINC000823711895 603535087 /nfs/dbraw/zinc/53/50/87/603535087.db2.gz FWNDRYZYHYHBNA-RXMQYKEDSA-N -1 0 344.211 3.932 20 0 EHADRM O=C([O-])NC1CCC(C(=O)Nc2cc(-c3ccccc3)ns2)CC1 ZINC000832281080 603537176 /nfs/dbraw/zinc/53/71/76/603537176.db2.gz XOUNTKSRYMOMQX-UHFFFAOYSA-N -1 0 345.424 3.575 20 0 EHADRM C[C@H](c1ncc(C(C)(C)C)o1)N1CCC([C@@H]2CCCN2C(=O)[O-])CC1 ZINC000825646092 603538339 /nfs/dbraw/zinc/53/83/39/603538339.db2.gz YMLRNBOBIKRESP-HIFRSBDPSA-N -1 0 349.475 3.888 20 0 EHADRM Cc1cc(C)c(NC(=O)COc2cccc(NC(=O)[O-])c2)c(C)c1 ZINC000829990557 603633806 /nfs/dbraw/zinc/63/38/06/603633806.db2.gz BBLWOIRAHZXKGU-UHFFFAOYSA-N -1 0 328.368 3.719 20 0 EHADRM CCCn1ccc2ccc(NC(=O)c3ccc(CNC(=O)[O-])o3)cc21 ZINC000826964900 603702269 /nfs/dbraw/zinc/70/22/69/603702269.db2.gz OEIOOBJKLLBJOX-UHFFFAOYSA-N -1 0 341.367 3.664 20 0 EHADRM CC(C)N(CCC(=O)Nc1ccccc1CCC(F)(F)F)C(=O)[O-] ZINC000824341864 603726051 /nfs/dbraw/zinc/72/60/51/603726051.db2.gz WDERXKXMCNKEDE-UHFFFAOYSA-N -1 0 346.349 3.899 20 0 EHADRM Cc1ccc(C(=O)N2CCc3c2cccc3Cl)cc1NC(=O)[O-] ZINC000830199393 603728549 /nfs/dbraw/zinc/72/85/49/603728549.db2.gz WSYOERLIAFIVSA-UHFFFAOYSA-N -1 0 330.771 3.941 20 0 EHADRM CCN(CC1CCN(C(=O)[C@@H](c2ccccc2)C(C)C)CC1)C(=O)[O-] ZINC000827055656 603751501 /nfs/dbraw/zinc/75/15/01/603751501.db2.gz WEQOUQZSFNAHTM-GOSISDBHSA-N -1 0 346.471 3.665 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N(C)[C@H](C)C1(C)CC1 ZINC000829168260 603784245 /nfs/dbraw/zinc/78/42/45/603784245.db2.gz XBNBJBFOBORBDJ-SECBINFHSA-N -1 0 340.807 3.699 20 0 EHADRM CCc1oc(C(=O)OC)cc1CNc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000827679405 603868164 /nfs/dbraw/zinc/86/81/64/603868164.db2.gz DBWGDRSARDUWIP-NSHDSACASA-N -1 0 346.383 3.569 20 0 EHADRM C[C@H](CCNC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccccc1 ZINC000824785115 603870093 /nfs/dbraw/zinc/87/00/93/603870093.db2.gz CZLAGLHXIDRDON-DUZACMNTSA-N -1 0 344.455 3.608 20 0 EHADRM COc1ccc([C@H](C)Cc2nc([C@@H](CC(C)C)NC(=O)[O-])no2)cc1 ZINC000829303314 603877728 /nfs/dbraw/zinc/87/77/28/603877728.db2.gz OHAGLWOBPNCTJZ-IUODEOHRSA-N -1 0 347.415 3.779 20 0 EHADRM CCC[C@H](NC(=O)[O-])C(=O)Nc1ccc(CNc2ccccc2)cc1 ZINC000826759169 603944045 /nfs/dbraw/zinc/94/40/45/603944045.db2.gz WRYNCGLQIHDUBS-KRWDZBQOSA-N -1 0 341.411 3.674 20 0 EHADRM O=C([O-])N[C@H]1CC[C@H](C(=O)Nc2ccccc2-c2cccs2)C1 ZINC000832297217 603946074 /nfs/dbraw/zinc/94/60/74/603946074.db2.gz NVWHBFYBJAZVTE-RYUDHWBXSA-N -1 0 330.409 3.790 20 0 EHADRM Cc1c(COc2ccccc2)cccc1NC(=O)C(C)(C)NC(=O)[O-] ZINC000829866916 603966219 /nfs/dbraw/zinc/96/62/19/603966219.db2.gz FUIWGPZBFWIJBU-UHFFFAOYSA-N -1 0 342.395 3.559 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)Nc1ccc2[nH]ccc2c1 ZINC000831768721 603970423 /nfs/dbraw/zinc/97/04/23/603970423.db2.gz WEZYPIYDXVBDRG-UHFFFAOYSA-N -1 0 336.351 3.852 20 0 EHADRM C[C@@H]1CCC[C@@H](N(C)C(=O)Nc2cccc3c2CCN3C(=O)[O-])C1 ZINC000825885769 603978841 /nfs/dbraw/zinc/97/88/41/603978841.db2.gz FPTNOLFWADLKJC-CHWSQXEVSA-N -1 0 331.416 3.770 20 0 EHADRM C[C@H](c1ccco1)N(C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])C1CC1 ZINC000825644990 603984680 /nfs/dbraw/zinc/98/46/80/603984680.db2.gz KHNKJEXAVBSKGX-WPXLMEDKSA-N -1 0 346.427 3.643 20 0 EHADRM Cc1cccc([C@@H]2CCCCCN2C(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)c1 ZINC000830494286 603984917 /nfs/dbraw/zinc/98/49/17/603984917.db2.gz ZRHFUNKIKMDXIK-BZSNNMDCSA-N -1 0 344.455 3.875 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)OCc2csc3ccccc23)o1 ZINC000832715402 604012629 /nfs/dbraw/zinc/01/26/29/604012629.db2.gz XVBXIVOVWBAHDQ-UHFFFAOYSA-N -1 0 331.349 3.619 20 0 EHADRM CC(C)c1ccc(NC(=O)N2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)cc1 ZINC000824469768 604064511 /nfs/dbraw/zinc/06/45/11/604064511.db2.gz FNJWFLOTTQUCHX-DZGCQCFKSA-N -1 0 333.432 3.710 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N2CCC[C@H]3CCC[C@H]32)cc1 ZINC000825426674 604137055 /nfs/dbraw/zinc/13/70/55/604137055.db2.gz IEIAPWLNHUYQRK-JGGQBBKZSA-N -1 0 331.416 3.812 20 0 EHADRM CN(Cc1cccc(NC(=O)N2CCC[C@@H]3CCC[C@@H]32)c1)C(=O)[O-] ZINC000828375495 604137515 /nfs/dbraw/zinc/13/75/15/604137515.db2.gz JVGKCAAKESZWSM-HOCLYGCPSA-N -1 0 331.416 3.593 20 0 EHADRM Cc1cnc([C@H](C)NC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)s1 ZINC000830625929 604148707 /nfs/dbraw/zinc/14/87/07/604148707.db2.gz WKLBXLUYBNWXMD-MNOVXSKESA-N -1 0 348.428 3.663 20 0 EHADRM O=C([O-])N1CC[C@@H](CSc2nnc(-c3cc4ccccc4o3)o2)C1 ZINC000831888734 604161334 /nfs/dbraw/zinc/16/13/34/604161334.db2.gz IKHLYYFJOWXVIL-SNVBAGLBSA-N -1 0 345.380 3.575 20 0 EHADRM Cc1cc2cc(C(=O)N3CCC[C@H]([C@@H](C)NC(=O)[O-])C3)oc2cc1C ZINC000830144210 604182947 /nfs/dbraw/zinc/18/29/47/604182947.db2.gz TXDUWBLZLRLWCQ-KGLIPLIRSA-N -1 0 344.411 3.558 20 0 EHADRM COc1cc(NCc2nc3ccccc3nc2C)ccc1NC(=O)[O-] ZINC000829198280 604214452 /nfs/dbraw/zinc/21/44/52/604214452.db2.gz RJVQGWBPQPSMEU-UHFFFAOYSA-N -1 0 338.367 3.649 20 0 EHADRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000825236482 604232952 /nfs/dbraw/zinc/23/29/52/604232952.db2.gz NVJWIMHLMMAGPS-ZJUUUORDSA-N -1 0 345.226 3.502 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H](c2ccccc2)C2CCC2)cc1F ZINC000833128060 604279322 /nfs/dbraw/zinc/27/93/22/604279322.db2.gz RGCVMWSCZGGTDG-QGZVFWFLSA-N -1 0 327.355 3.795 20 0 EHADRM C[C@H](CC(=O)N(C)[C@@H]1CCc2ccccc21)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824550472 604297576 /nfs/dbraw/zinc/29/75/76/604297576.db2.gz GOYHRRZAFJNKEA-QGPMSJSTSA-N -1 0 344.455 3.549 20 0 EHADRM COc1ccc(N(CC(C)C)C(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000832383176 604297951 /nfs/dbraw/zinc/29/79/51/604297951.db2.gz ABHLFKAERCDKIG-UHFFFAOYSA-N -1 0 345.370 3.835 20 0 EHADRM CC1(C)C[C@@H](NC(=O)c2cccc(C(=O)[O-])c2)c2ccc(F)cc2O1 ZINC000345795132 604301530 /nfs/dbraw/zinc/30/15/30/604301530.db2.gz IKSPFGGPVFHTKC-OAHLLOKOSA-N -1 0 343.354 3.556 20 0 EHADRM CC(C)Oc1ccc(F)cc1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000827055007 604304752 /nfs/dbraw/zinc/30/47/52/604304752.db2.gz VCTBUJPZFQNAMQ-UHFFFAOYSA-N -1 0 335.306 3.703 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)Nc2ccccc2Cl)cc1 ZINC000825389966 604308796 /nfs/dbraw/zinc/30/87/96/604308796.db2.gz YZYQLKZNNQEOCY-LLVKDONJSA-N -1 0 347.802 3.990 20 0 EHADRM CC[C@](NC(=O)c1ccc(F)c(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC000828971621 604310929 /nfs/dbraw/zinc/31/09/29/604310929.db2.gz SHLMRBKSDHDYSQ-QGZVFWFLSA-N -1 0 335.762 3.599 20 0 EHADRM Cc1cccc(C)c1CCNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000832964192 604321277 /nfs/dbraw/zinc/32/12/77/604321277.db2.gz GKBCXHQRTRGQNZ-UHFFFAOYSA-N -1 0 348.349 3.644 20 0 EHADRM Cc1nc(CC(C)C)c(NC(=O)c2ccc(C(=O)[O-])c(F)c2)s1 ZINC000832998040 604328234 /nfs/dbraw/zinc/32/82/34/604328234.db2.gz BLDONEQDUIKSOV-UHFFFAOYSA-N -1 0 336.388 3.740 20 0 EHADRM O=C([O-])c1ccc(CN[C@@H]2COc3c2ccc(Cl)c3Cl)o1 ZINC000833315218 604330848 /nfs/dbraw/zinc/33/08/48/604330848.db2.gz XCXHWBQYMWIFNE-SNVBAGLBSA-N -1 0 328.151 3.508 20 0 EHADRM O=C([O-])c1cc(C(=O)N2CCC[C@@H]2CCC2CCCCC2)ccn1 ZINC000833296146 604343805 /nfs/dbraw/zinc/34/38/05/604343805.db2.gz UCSZSAWKQLGBQA-MRXNPFEDSA-N -1 0 330.428 3.745 20 0 EHADRM O=C([O-])CCc1csc(NC(=O)/C=C\c2ccc(Cl)s2)n1 ZINC000833237729 604347876 /nfs/dbraw/zinc/34/78/76/604347876.db2.gz JXEBDLJACOEQPQ-HYXAFXHYSA-N -1 0 342.829 3.527 20 0 EHADRM O=C([O-])CN(Cc1nc2cc(C(F)(F)F)ccc2o1)C1CCCC1 ZINC000833248997 604352730 /nfs/dbraw/zinc/35/27/30/604352730.db2.gz PYEXICNPCUAZBC-UHFFFAOYSA-N -1 0 342.317 3.676 20 0 EHADRM Cc1ccc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])c(C)c1 ZINC000832910935 604374322 /nfs/dbraw/zinc/37/43/22/604374322.db2.gz CQQNRESZYODQPO-QGZVFWFLSA-N -1 0 325.408 3.885 20 0 EHADRM C[C@@H](Cc1ccccc1)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000827593018 604375505 /nfs/dbraw/zinc/37/55/05/604375505.db2.gz YLQWXEZNFFEQJW-YJBOKZPZSA-N -1 0 339.435 3.834 20 0 EHADRM C[C@H](C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])c1cccc(F)c1 ZINC000825994842 604376385 /nfs/dbraw/zinc/37/63/85/604376385.db2.gz KRUUUXKMAIULHK-GUYCJALGSA-N -1 0 343.398 3.898 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)[C@@H]1CCc2ccccc21)c1ccccc1 ZINC000826090615 604377730 /nfs/dbraw/zinc/37/77/30/604377730.db2.gz VCRWYMUXRQGCHL-QZTJIDSGSA-N -1 0 337.419 3.685 20 0 EHADRM Cc1cc(C(=O)[O-])c2c(=O)[nH]c(SCCCC3CCCC3)nc2n1 ZINC000832868140 604386449 /nfs/dbraw/zinc/38/64/49/604386449.db2.gz XUUVFVQWCKTRCZ-UHFFFAOYSA-N -1 0 347.440 3.800 20 0 EHADRM Cc1cccc(CC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])c1 ZINC000832969584 604390460 /nfs/dbraw/zinc/39/04/60/604390460.db2.gz ZOGZMZHAJIJAQB-GOSISDBHSA-N -1 0 325.408 3.506 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cccc(F)c1F ZINC000829025416 604426846 /nfs/dbraw/zinc/42/68/46/604426846.db2.gz CFESGHOAAADFHP-HNNXBMFYSA-N -1 0 333.334 3.643 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccc(F)cc1F ZINC000829028150 604426882 /nfs/dbraw/zinc/42/68/82/604426882.db2.gz SUVQYCHOWNYAHY-INIZCTEOSA-N -1 0 333.334 3.643 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cc(F)ccc1C ZINC000829026695 604428203 /nfs/dbraw/zinc/42/82/03/604428203.db2.gz KZOKAOQPHZBPII-QGZVFWFLSA-N -1 0 329.371 3.812 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccc(F)c(F)c1 ZINC000829027638 604429178 /nfs/dbraw/zinc/42/91/78/604429178.db2.gz QHHIPNCMWMUTEQ-MRXNPFEDSA-N -1 0 333.334 3.643 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)/C=C/c1ccnc(Cl)c1 ZINC000833094448 604432311 /nfs/dbraw/zinc/43/23/11/604432311.db2.gz HSBSQANIJKJRMX-DAFODLJHSA-N -1 0 337.162 3.739 20 0 EHADRM COc1cc(OC)cc([C@H](C(=O)[O-])N2CCC[C@@H]2c2cccs2)c1 ZINC000652377059 604454255 /nfs/dbraw/zinc/45/42/55/604454255.db2.gz VDPOXYYRMTXWEL-NVXWUHKLSA-N -1 0 347.436 3.728 20 0 EHADRM CC(C)(C)SCCCC(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000833447072 604461699 /nfs/dbraw/zinc/46/16/99/604461699.db2.gz NGIXMYKYGPZBGT-CYBMUJFWSA-N -1 0 335.469 3.903 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000825611844 604472533 /nfs/dbraw/zinc/47/25/33/604472533.db2.gz ORHDSGPMSLAGCA-ZDUSSCGKSA-N -1 0 334.416 3.521 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000826631745 604472668 /nfs/dbraw/zinc/47/26/68/604472668.db2.gz MUNOQWFLQCIVNV-INIZCTEOSA-N -1 0 334.416 3.521 20 0 EHADRM O=C([O-])c1cccc(NC2CCN(C(=O)Nc3ccsc3)CC2)c1 ZINC000833332960 604482489 /nfs/dbraw/zinc/48/24/89/604482489.db2.gz ZPLQLBWVHQROHS-UHFFFAOYSA-N -1 0 345.424 3.555 20 0 EHADRM O=C([O-])c1csc(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)c1 ZINC000833342340 604489005 /nfs/dbraw/zinc/48/90/05/604489005.db2.gz JSRNMNKYMJMQKA-CYBMUJFWSA-N -1 0 334.372 3.954 20 0 EHADRM O=C([O-])c1csc(NC(=O)N2CCC[C@@H]2Cc2cccc(F)c2)c1 ZINC000833343158 604489200 /nfs/dbraw/zinc/48/92/00/604489200.db2.gz YUPGLIUFBFLKAJ-CQSZACIVSA-N -1 0 348.399 3.824 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)c1cc(F)cc2cccnc21 ZINC000262953029 604489648 /nfs/dbraw/zinc/48/96/48/604489648.db2.gz MZDYPSRGTMPHDA-GDBMZVCRSA-N -1 0 344.386 3.527 20 0 EHADRM Cc1ccc(C[C@@H](C)N(C)C(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000832929366 604514125 /nfs/dbraw/zinc/51/41/25/604514125.db2.gz TWXBNGNASCORGL-GFCCVEGCSA-N -1 0 332.425 3.850 20 0 EHADRM O=C([O-])c1ccc(OC[C@@H](O)c2cccc(Cl)c2)c(Cl)c1 ZINC000833781915 604533983 /nfs/dbraw/zinc/53/39/83/604533983.db2.gz JYXOPWZNXVUYOX-CYBMUJFWSA-N -1 0 327.163 3.804 20 0 EHADRM CC(C)(C)Oc1cccc(CNc2ccc(CCC(=O)[O-])cc2)n1 ZINC000833446994 604536861 /nfs/dbraw/zinc/53/68/61/604536861.db2.gz LVKMMVFVSBHKKX-UHFFFAOYSA-N -1 0 328.412 3.888 20 0 EHADRM C/C(=C\c1ccccc1Cl)C(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC000833386344 604546039 /nfs/dbraw/zinc/54/60/39/604546039.db2.gz NVCNBUPXVDFJOM-ATWMFIQVSA-N -1 0 335.812 3.747 20 0 EHADRM COc1ccc(/C=C/C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC000832280521 604546386 /nfs/dbraw/zinc/54/63/86/604546386.db2.gz DANNKANQSKFSQP-LZGFCCKTSA-N -1 0 330.336 3.612 20 0 EHADRM C[C@@H](C(=O)NCCc1cccc(C(=O)[O-])c1)c1ccc(Cl)s1 ZINC000191176281 604547568 /nfs/dbraw/zinc/54/75/68/604547568.db2.gz PHYVYEVSUWELJB-SNVBAGLBSA-N -1 0 337.828 3.562 20 0 EHADRM C/C(=C\c1ccccc1Cl)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000833385979 604553898 /nfs/dbraw/zinc/55/38/98/604553898.db2.gz LBLRLDSGUIHKGU-XYOKQWHBSA-N -1 0 341.794 3.984 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2cc3cc(F)ccc3[nH]2)oc1C(=O)[O-] ZINC000832874727 604554571 /nfs/dbraw/zinc/55/45/71/604554571.db2.gz KZBYPIMIEIZFPK-VIFPVBQESA-N -1 0 331.299 3.825 20 0 EHADRM Cc1cc([C@H](C)OC(=O)CCn2ccc3ccccc32)oc1C(=O)[O-] ZINC000832870646 604556710 /nfs/dbraw/zinc/55/67/10/604556710.db2.gz BAQLMPLONUWDRE-ZDUSSCGKSA-N -1 0 341.363 3.935 20 0 EHADRM CC(C)[C@H](C(=O)N1CCC(CCC(=O)[O-])CC1)c1ccc(F)cc1 ZINC000833467522 604564398 /nfs/dbraw/zinc/56/43/98/604564398.db2.gz XINJFLPGNUPPRH-SFHVURJKSA-N -1 0 335.419 3.669 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2cc(-c3cccs3)[nH]n2)oc1C(=O)[O-] ZINC000832873274 604566363 /nfs/dbraw/zinc/56/63/63/604566363.db2.gz AZIIJRKVZSCRCC-VIFPVBQESA-N -1 0 346.364 3.656 20 0 EHADRM Cc1cc([C@H](C)OC(=O)Cc2cc3ccccc3o2)oc1C(=O)[O-] ZINC000832872063 604573226 /nfs/dbraw/zinc/57/32/26/604573226.db2.gz LTSQBFRDVMMDOW-NSHDSACASA-N -1 0 328.320 3.879 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000262907182 604575265 /nfs/dbraw/zinc/57/52/65/604575265.db2.gz JFOLPNVQPKNOGY-LBPRGKRZSA-N -1 0 344.238 3.782 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)CCCc1csc2ccccc12 ZINC000263090404 604577774 /nfs/dbraw/zinc/57/77/74/604577774.db2.gz ZYIJTYMKYRRXAN-AWEZNQCLSA-N -1 0 331.437 3.690 20 0 EHADRM CC(C)CN(Cc1ccc(O[C@H](C)C(=O)[O-])cc1)CC(F)(F)F ZINC000833486969 604583697 /nfs/dbraw/zinc/58/36/97/604583697.db2.gz XLYOCEPBDDAKKE-GFCCVEGCSA-N -1 0 333.350 3.559 20 0 EHADRM C[C@@H]1CCCN(C(=O)Nc2cccc(CSCC(=O)[O-])c2)[C@H]1C ZINC000833614612 604587819 /nfs/dbraw/zinc/58/78/19/604587819.db2.gz QNJDSQRFDHWLKG-OLZOCXBDSA-N -1 0 336.457 3.657 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3CCC[C@H]3CC(=O)[O-])c(F)c2)cc1 ZINC000263033731 604591561 /nfs/dbraw/zinc/59/15/61/604591561.db2.gz VCUAHNCGWKKSLZ-INIZCTEOSA-N -1 0 341.382 3.880 20 0 EHADRM CCC(=O)c1ccc(C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC000828574420 604599282 /nfs/dbraw/zinc/59/92/82/604599282.db2.gz QLOQPYHHFRCWOZ-NSHDSACASA-N -1 0 330.336 3.797 20 0 EHADRM CC(C)N(Cc1ccccc1)C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000310422924 604599327 /nfs/dbraw/zinc/59/93/27/604599327.db2.gz KXVAYBBTCZGLSQ-UHFFFAOYSA-N -1 0 340.423 3.548 20 0 EHADRM CC1(C)CCN(C(=O)Nc2cccc(SCCC(=O)[O-])c2)CC1 ZINC000833560250 604599880 /nfs/dbraw/zinc/59/98/80/604599880.db2.gz JQEKYLUAHPSQLU-UHFFFAOYSA-N -1 0 336.457 3.907 20 0 EHADRM O=C([O-])[C@@H](OC(=O)/C=C\SCc1ccco1)c1ccccc1F ZINC000833093207 604601118 /nfs/dbraw/zinc/60/11/18/604601118.db2.gz VMMLLZWOQBZEAQ-VIHMKRCTSA-N -1 0 336.340 3.535 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@@H]2CC(=O)[O-])cc1OCCC(C)C ZINC000832946100 604633288 /nfs/dbraw/zinc/63/32/88/604633288.db2.gz OYQHJPWFGSATKH-MRXNPFEDSA-N -1 0 348.443 3.891 20 0 EHADRM CCC(CC)n1ccc(C(=O)N2CCCc3c(C(=O)[O-])cccc32)n1 ZINC000828870619 604639837 /nfs/dbraw/zinc/63/98/37/604639837.db2.gz SJLYRYHCUQCGLD-UHFFFAOYSA-N -1 0 341.411 3.535 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)O[C@@H](C)c1ccncc1)C(=O)[O-] ZINC000833544244 604655248 /nfs/dbraw/zinc/65/52/48/604655248.db2.gz DCFGWHUYQRWNFZ-NWDGAFQWSA-N -1 0 331.393 3.565 20 0 EHADRM CCc1ccccc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC000193169647 604655283 /nfs/dbraw/zinc/65/52/83/604655283.db2.gz JSZXXYHBGMOUBT-KRWDZBQOSA-N -1 0 343.448 3.917 20 0 EHADRM CCC(CC)n1nccc1C(=O)N(c1ccccc1)[C@@H](CC)C(=O)[O-] ZINC000828595116 604657920 /nfs/dbraw/zinc/65/79/20/604657920.db2.gz RHWNRYMBDLPACD-INIZCTEOSA-N -1 0 343.427 3.754 20 0 EHADRM C[C@H](C(=O)O[C@@H](C1CC1)C(F)(F)F)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823731740 604661244 /nfs/dbraw/zinc/66/12/44/604661244.db2.gz PNIMCGZVIDOBKO-BIMULSAOSA-N -1 0 345.317 3.516 20 0 EHADRM O=C([O-])c1cccc(-c2noc(Cc3ccc(F)cc3Cl)n2)c1 ZINC000833327634 604665458 /nfs/dbraw/zinc/66/54/58/604665458.db2.gz RAWIUSRVFIQACI-UHFFFAOYSA-N -1 0 332.718 3.818 20 0 EHADRM Cc1cc([C@@H](C)Sc2nnc3[nH]c4ccccc4n32)oc1C(=O)[O-] ZINC000832876035 604666817 /nfs/dbraw/zinc/66/68/17/604666817.db2.gz VPYWEEXOECYWHP-SECBINFHSA-N -1 0 342.380 3.664 20 0 EHADRM COc1ccc(C)cc1[C@@H](C)NC(=O)CCc1ccccc1C(=O)[O-] ZINC000262125068 604669381 /nfs/dbraw/zinc/66/93/81/604669381.db2.gz GVYUGMJJYMZUJY-CQSZACIVSA-N -1 0 341.407 3.512 20 0 EHADRM Cc1cc([C@H](C)Sc2nnc(-c3ccncc3)o2)oc1C(=O)[O-] ZINC000832873078 604691720 /nfs/dbraw/zinc/69/17/20/604691720.db2.gz FSDKZLOYROGEFM-VIFPVBQESA-N -1 0 331.353 3.585 20 0 EHADRM O=C([O-])c1ccc(COC(=O)Cc2ccc(F)cc2Cl)s1 ZINC000833118532 604692581 /nfs/dbraw/zinc/69/25/81/604692581.db2.gz PBPWUHARKASIHI-UHFFFAOYSA-N -1 0 328.748 3.525 20 0 EHADRM CCc1cc(C)c(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])o1 ZINC000345772028 604694936 /nfs/dbraw/zinc/69/49/36/604694936.db2.gz GEMLNZSGPOHIPD-CQSZACIVSA-N -1 0 329.396 3.514 20 0 EHADRM Cc1cc([C@@H](C)Sc2n[nH]c(-c3ccccc3)n2)oc1C(=O)[O-] ZINC000832872814 604704609 /nfs/dbraw/zinc/70/46/09/604704609.db2.gz AQSKCHUVNDOIFN-SNVBAGLBSA-N -1 0 329.381 3.925 20 0 EHADRM CN(C(=O)c1cccc(Oc2ccccc2)c1)C1(C(=O)[O-])CCCC1 ZINC000830532869 604711386 /nfs/dbraw/zinc/71/13/86/604711386.db2.gz FVDZTNKUAHIDKQ-UHFFFAOYSA-N -1 0 339.391 3.948 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)c1cnc2ccc(F)cc2c1 ZINC000833680829 604719639 /nfs/dbraw/zinc/71/96/39/604719639.db2.gz OWXSINAVWNACEL-UHFFFAOYSA-N -1 0 343.310 3.585 20 0 EHADRM CC(C)c1ccc([C@@H]2CCCN2C(=O)NCC(C)(C)C(=O)[O-])cc1 ZINC000833509696 604724949 /nfs/dbraw/zinc/72/49/49/604724949.db2.gz BVMWEOBXQGOZNM-INIZCTEOSA-N -1 0 332.444 3.767 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000832851743 604730160 /nfs/dbraw/zinc/73/01/60/604730160.db2.gz XCUXQRYZHVEHND-UHFFFAOYSA-N -1 0 348.355 3.606 20 0 EHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000833384330 604740305 /nfs/dbraw/zinc/74/03/05/604740305.db2.gz PSRPIYLNMGOTCP-WQLSENKSSA-N -1 0 341.794 3.984 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)NC1(c2cccc(Cl)c2)CC1 ZINC000262160776 604758270 /nfs/dbraw/zinc/75/82/70/604758270.db2.gz OAPGFPLJUQIPIE-UHFFFAOYSA-N -1 0 343.810 3.776 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)Cc1ccccc1C(=O)[O-])c1ccccc1 ZINC000261772523 604781774 /nfs/dbraw/zinc/78/17/74/604781774.db2.gz XCCTVOSROIHSRY-SFHVURJKSA-N -1 0 325.408 3.831 20 0 EHADRM C[C@H]1CCC[C@H](C(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)C1 ZINC000828233829 604782933 /nfs/dbraw/zinc/78/29/33/604782933.db2.gz SVHWRRAFXZFGFQ-GJZGRUSLSA-N -1 0 344.455 3.614 20 0 EHADRM C[C@@H]1CN(C(=O)Cc2ccccc2C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000262250927 604787018 /nfs/dbraw/zinc/78/70/18/604787018.db2.gz VMDKDQGNRBFVEM-CRAIPNDOSA-N -1 0 337.419 3.580 20 0 EHADRM O=C([O-])Nc1cc(NCc2noc(C3CCCCC3)n2)ccc1F ZINC000833282028 604799457 /nfs/dbraw/zinc/79/94/57/604799457.db2.gz BAGWIPJMPJYSKT-UHFFFAOYSA-N -1 0 334.351 3.958 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000827592062 604809724 /nfs/dbraw/zinc/80/97/24/604809724.db2.gz FLMTYIFMFCLHJN-JTQLQIEISA-N -1 0 335.762 3.538 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCc2cc3ccccc3s2)cc1F ZINC000833144039 604815855 /nfs/dbraw/zinc/81/58/55/604815855.db2.gz CHBYULDYPXWAPI-UHFFFAOYSA-N -1 0 329.352 3.669 20 0 EHADRM C[C@@H](CSCc1ccccc1)C(=O)OCc1ccc(C(=O)[O-])o1 ZINC000827581270 604816027 /nfs/dbraw/zinc/81/60/27/604816027.db2.gz KPWRGCNWWAAJKS-LBPRGKRZSA-N -1 0 334.393 3.591 20 0 EHADRM CCOc1cc(Nc2nc(Cl)c(C(=O)[O-])s2)ccc1OC ZINC000833660817 604824437 /nfs/dbraw/zinc/82/44/37/604824437.db2.gz UGUYEAFEMONTGS-UHFFFAOYSA-N -1 0 328.777 3.646 20 0 EHADRM CC[C@@](NC(=O)c1ccc2nc(C)ccc2c1)(C(=O)[O-])c1ccccc1 ZINC000828976581 604824785 /nfs/dbraw/zinc/82/47/85/604824785.db2.gz QGFYCMJSJZNIJU-NRFANRHFSA-N -1 0 348.402 3.663 20 0 EHADRM Cc1ccccc1Sc1ccc(C(=O)N(CC(=O)[O-])C2CC2)cc1 ZINC000832982095 604830771 /nfs/dbraw/zinc/83/07/71/604830771.db2.gz YLGJYZLJEDRAAI-UHFFFAOYSA-N -1 0 341.432 3.835 20 0 EHADRM C/C(=C/c1cccc(Cl)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000761390108 604835375 /nfs/dbraw/zinc/83/53/75/604835375.db2.gz BGWBWSPNGDZVQH-QFSNBGPKSA-N -1 0 343.810 3.555 20 0 EHADRM Cc1cc(F)ccc1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000832889184 604836920 /nfs/dbraw/zinc/83/69/20/604836920.db2.gz FBNCJZYSRNFTQA-UHFFFAOYSA-N -1 0 342.370 3.685 20 0 EHADRM CCCOc1cccc(CCNC(=O)c2ccc(NC(=O)[O-])cc2)c1 ZINC000829541213 604841686 /nfs/dbraw/zinc/84/16/86/604841686.db2.gz HCRGNOPLNNTVPW-UHFFFAOYSA-N -1 0 342.395 3.538 20 0 EHADRM C[C@H](c1nc(-c2ccccc2)no1)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000582365729 604843770 /nfs/dbraw/zinc/84/37/70/604843770.db2.gz IWOAOQRTLBCTDY-CYBMUJFWSA-N -1 0 349.390 3.554 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=S)Nc2cccc(Cl)c2)C1 ZINC000833417321 604858703 /nfs/dbraw/zinc/85/87/03/604858703.db2.gz PJLSJYKBOGWAFV-LLVKDONJSA-N -1 0 340.876 3.860 20 0 EHADRM CC(C)c1ccc([C@@H]2CCCN2C(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC000833509701 604864666 /nfs/dbraw/zinc/86/46/66/604864666.db2.gz CBNKLUSMRKPXHE-SFHVURJKSA-N -1 0 338.407 3.881 20 0 EHADRM CCC[C@@H](C(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1)c1ccccc1 ZINC000833647995 604867072 /nfs/dbraw/zinc/86/70/72/604867072.db2.gz MYFZPYMQKPITEQ-CYBMUJFWSA-N -1 0 337.379 3.784 20 0 EHADRM C[C@@H](CC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)Cc1ccc(Cl)cc1 ZINC000263253463 604870573 /nfs/dbraw/zinc/87/05/73/604870573.db2.gz KEQSWCWQXBAELT-CZUORRHYSA-N -1 0 349.858 3.622 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000325398413 604872552 /nfs/dbraw/zinc/87/25/52/604872552.db2.gz XPGGXUCJBARFBC-CYBMUJFWSA-N -1 0 340.345 3.904 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(c2nnc(-c3ccccc3)s2)C1 ZINC000649405474 604874197 /nfs/dbraw/zinc/87/41/97/604874197.db2.gz ZPAAPKNZUNWZSB-CYBMUJFWSA-N -1 0 331.441 3.532 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc2c(cccc2F)s1)c1ccccc1 ZINC000324847806 604880315 /nfs/dbraw/zinc/88/03/15/604880315.db2.gz JTYCWANORWOYLE-AWEZNQCLSA-N -1 0 343.379 3.986 20 0 EHADRM CCc1nc(C)c([C@H](C)OC(=O)c2ccc(C(=O)[O-])c(F)c2)s1 ZINC000830310206 604885258 /nfs/dbraw/zinc/88/52/58/604885258.db2.gz YSQLUJGVNKDVNG-VIFPVBQESA-N -1 0 337.372 3.769 20 0 EHADRM C/C(=C\C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1cccc(F)c1 ZINC000777401160 604885917 /nfs/dbraw/zinc/88/59/17/604885917.db2.gz SZHYLRXOUSYBIH-NRMKIYEFSA-N -1 0 333.403 3.578 20 0 EHADRM C[C@@]1(NC(=O)c2cc(Cl)sc2Cl)CCCC[C@@H]1C(=O)[O-] ZINC000262879607 604889375 /nfs/dbraw/zinc/88/93/75/604889375.db2.gz VTYJKRIAGKGUIN-AMIZOPFISA-N -1 0 336.240 3.818 20 0 EHADRM C[C@H]1CCc2c(C(=O)N3CCC[C@H](C(C)(C)C(=O)[O-])C3)csc2C1 ZINC000392018721 604889604 /nfs/dbraw/zinc/88/96/04/604889604.db2.gz XGYSOOLRGJISAY-STQMWFEESA-N -1 0 349.496 3.836 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)/C=C\c2ccccc2Cl)C1 ZINC000322202976 604889951 /nfs/dbraw/zinc/88/99/51/604889951.db2.gz TVNDXBCONCTGMX-CMUBDUJZSA-N -1 0 335.831 3.703 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)CCc2ccc(Cl)s2)C1 ZINC000679102014 604893553 /nfs/dbraw/zinc/89/35/53/604893553.db2.gz RKANJLIEOHJVCP-LLVKDONJSA-N -1 0 343.876 3.684 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)CC/C=C/c2ccccc2)C1 ZINC000679102572 604894399 /nfs/dbraw/zinc/89/43/99/604894399.db2.gz AIIFTZRPCZGHNC-SCBHQAGPSA-N -1 0 329.440 3.829 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2coc3ccccc23)cc1Cl ZINC000238007477 604902979 /nfs/dbraw/zinc/90/29/79/604902979.db2.gz IEUOALARRVCWQA-UHFFFAOYSA-N -1 0 345.738 3.802 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)C1CCCC1 ZINC000827682523 604919850 /nfs/dbraw/zinc/91/98/50/604919850.db2.gz ZUZCIBWXVQHTRP-JTQLQIEISA-N -1 0 340.807 3.504 20 0 EHADRM C[C@@H](CC(=O)N1CCCC[C@@H]1c1ccco1)C1CCN(C(=O)[O-])CC1 ZINC000824580787 604921455 /nfs/dbraw/zinc/92/14/55/604921455.db2.gz JHMHWEKKXDCLKK-GOEBONIOSA-N -1 0 348.443 3.749 20 0 EHADRM C[C@H](CC(=O)NC(C)(C)c1cccs1)C1CCN(C(=O)[O-])CC1 ZINC000824604755 604924384 /nfs/dbraw/zinc/92/43/84/604924384.db2.gz GHWKNRYRHCEUFK-GFCCVEGCSA-N -1 0 338.473 3.516 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(F)cc2C(F)(F)F)cc1F ZINC000833319017 604926391 /nfs/dbraw/zinc/92/63/91/604926391.db2.gz BQYQAOWMJMUNLL-UHFFFAOYSA-N -1 0 345.223 3.934 20 0 EHADRM Cc1ccc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)c(F)c1 ZINC000832911995 604937750 /nfs/dbraw/zinc/93/77/50/604937750.db2.gz DNKZTCKSLZPHFK-UHFFFAOYSA-N -1 0 329.371 3.641 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1cc2c(s1)CCC2 ZINC000237950134 604937785 /nfs/dbraw/zinc/93/77/85/604937785.db2.gz FMIKLDJQJSZEPX-UHFFFAOYSA-N -1 0 343.448 3.744 20 0 EHADRM C[C@@H](C(=O)N(CCCC(=O)[O-])Cc1ccccc1)c1ccccc1F ZINC000237449618 604938672 /nfs/dbraw/zinc/93/86/72/604938672.db2.gz KCWHAQAYVDEOSH-OAHLLOKOSA-N -1 0 343.398 3.823 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N[C@@H]2CCOC3(CCCCC3)C2)cc1 ZINC000833290194 604949782 /nfs/dbraw/zinc/94/97/82/604949782.db2.gz PMXUCPYCKBBSLC-OAHLLOKOSA-N -1 0 347.415 3.780 20 0 EHADRM C[C@@]1(NC(=O)Cc2csc3ccccc23)CCCC[C@H]1C(=O)[O-] ZINC000262834238 604957721 /nfs/dbraw/zinc/95/77/21/604957721.db2.gz RIOJOGDSKDHJRM-KBXCAEBGSA-N -1 0 331.437 3.594 20 0 EHADRM C[C@@]1(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)CCCC[C@H]1C(=O)[O-] ZINC000431864645 604958899 /nfs/dbraw/zinc/95/88/99/604958899.db2.gz XMELTEHAGFXBOI-KBXCAEBGSA-N -1 0 348.830 3.514 20 0 EHADRM C[C@]1(NC(=O)c2ccc(Oc3ccccc3)o2)CCCC[C@@H]1C(=O)[O-] ZINC000262763697 604966667 /nfs/dbraw/zinc/96/66/67/604966667.db2.gz KQCWHIMMDNDJIE-KUHUBIRLSA-N -1 0 343.379 3.835 20 0 EHADRM COc1ccc(CNC(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1Cl ZINC000829390082 604966744 /nfs/dbraw/zinc/96/67/44/604966744.db2.gz WOSHXBTXKHAZLN-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM CC(C)[C@@H](NC(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccccc1 ZINC000826700384 604972946 /nfs/dbraw/zinc/97/29/46/604972946.db2.gz RVUOOCSWJLSKMR-OAHLLOKOSA-N -1 0 347.440 3.679 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2c[nH]c3cccc(F)c32)cc1 ZINC000833420020 604976767 /nfs/dbraw/zinc/97/67/67/604976767.db2.gz WWXAGUPEWNFXQF-UHFFFAOYSA-N -1 0 340.354 3.922 20 0 EHADRM CC1CCN(c2ccc(N[C@H](C(=O)[O-])c3cccnc3)cc2)CC1 ZINC000828303250 604987463 /nfs/dbraw/zinc/98/74/63/604987463.db2.gz NOHHFSGOTRTPMT-SFHVURJKSA-N -1 0 325.412 3.556 20 0 EHADRM Cc1nc(-c2ccc(N[C@H](C(=O)[O-])c3cccnc3)cc2)cs1 ZINC000832990766 604989189 /nfs/dbraw/zinc/98/91/89/604989189.db2.gz BGAOCZIDNISKJJ-INIZCTEOSA-N -1 0 325.393 3.751 20 0 EHADRM CCC[C@H]1CCCC[C@H]1NC(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000829257260 604989791 /nfs/dbraw/zinc/98/97/91/604989791.db2.gz XMLYIUKQRVPOOI-WCQYABFASA-N -1 0 339.461 3.641 20 0 EHADRM CCc1nc(NC(=O)[C@H]2C[C@@H]2c2sccc2C)sc1C(=O)[O-] ZINC000833673945 604994824 /nfs/dbraw/zinc/99/48/24/604994824.db2.gz MEXJYYAAIXPCCT-IUCAKERBSA-N -1 0 336.438 3.516 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2c(Cl)cccc2Cl)C1 ZINC000317034660 605000374 /nfs/dbraw/zinc/00/03/74/605000374.db2.gz AJNTWPWWJJKTRM-SNVBAGLBSA-N -1 0 344.238 3.956 20 0 EHADRM C[C@@H](OC(=O)CC(C)(C)CC(=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000833527825 605031636 /nfs/dbraw/zinc/03/16/36/605031636.db2.gz FUIXJWXVTQVPAC-GFCCVEGCSA-N -1 0 331.368 3.837 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)OCc1csc(Nc2ccccc2)n1 ZINC000833455667 605031792 /nfs/dbraw/zinc/03/17/92/605031792.db2.gz XHXHYVHBDRSXCH-UHFFFAOYSA-N -1 0 348.424 3.821 20 0 EHADRM CCC[C@@H](C(=O)O[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C)C(C)C ZINC000833647531 605036643 /nfs/dbraw/zinc/03/66/43/605036643.db2.gz GIKHGQLEWBRQRX-UKRRQHHQSA-N -1 0 349.427 3.636 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)Nc2nc3c(cccc3C(=O)[O-])[nH]2)cc1 ZINC000833670504 605059350 /nfs/dbraw/zinc/05/93/50/605059350.db2.gz NCDKRNFXAZWCJF-LLVKDONJSA-N -1 0 337.379 3.566 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2cc(C(=O)[O-])ccc2Cl)CCO1 ZINC000833469812 605060803 /nfs/dbraw/zinc/06/08/03/605060803.db2.gz DCWOABFOTABPNB-NHYWBVRUSA-N -1 0 339.819 3.818 20 0 EHADRM CC(C)n1cccc1C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833513206 605072671 /nfs/dbraw/zinc/07/26/71/605072671.db2.gz DNUSUUMPGPHTCT-UHFFFAOYSA-N -1 0 332.425 3.888 20 0 EHADRM CCCOc1ccc([C@@H](C)NC(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000833651808 605085129 /nfs/dbraw/zinc/08/51/29/605085129.db2.gz ATZJBPYYCKUWRS-IUDNXUCKSA-N -1 0 333.428 3.544 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000833515475 605086526 /nfs/dbraw/zinc/08/65/26/605086526.db2.gz RRFFVFXNSQUXQS-OAHLLOKOSA-N -1 0 326.392 3.878 20 0 EHADRM Cc1nc(C2CCCCC2)sc1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC000833755320 605087887 /nfs/dbraw/zinc/08/78/87/605087887.db2.gz JCVGSGDLNGMFGH-UHFFFAOYSA-N -1 0 345.424 3.845 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2ccc(CC(F)(F)F)cc2)CC1 ZINC000194416301 605087970 /nfs/dbraw/zinc/08/79/70/605087970.db2.gz JVRMKJVGFZNLOO-UHFFFAOYSA-N -1 0 329.318 3.621 20 0 EHADRM CCOc1cc(Cl)ccc1NC(=O)C1CCC(C(=O)[O-])CC1 ZINC000194433903 605089505 /nfs/dbraw/zinc/08/95/05/605089505.db2.gz TYYVMMTZYOFMFF-UHFFFAOYSA-N -1 0 325.792 3.568 20 0 EHADRM C[C@@H]1CC[C@@]2(CCN(C(=O)Nc3ccc(CN(C)C(=O)[O-])cc3)C2)C1 ZINC000833612345 605095945 /nfs/dbraw/zinc/09/59/45/605095945.db2.gz TYHWZJRWTXZGML-AUUYWEPGSA-N -1 0 345.443 3.840 20 0 EHADRM CCC(CC)(CNC(=O)N1CCC[C@@H]1c1cccc(F)c1)C(=O)[O-] ZINC000424413026 605097999 /nfs/dbraw/zinc/09/79/99/605097999.db2.gz NZBYIRFNIZHKEZ-OAHLLOKOSA-N -1 0 336.407 3.563 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc(CCSC)cc1)C(=O)[O-] ZINC000424382585 605098564 /nfs/dbraw/zinc/09/85/64/605098564.db2.gz OCZVNSUTVWKFOA-UHFFFAOYSA-N -1 0 338.473 3.605 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000833452383 605105011 /nfs/dbraw/zinc/10/50/11/605105011.db2.gz AOCNHKLKHCJVEO-UHFFFAOYSA-N -1 0 345.361 3.948 20 0 EHADRM Cc1cccc([C@H]2CCCCN2C(=O)c2cncc(C(=O)[O-])c2)c1C ZINC000630122618 605113570 /nfs/dbraw/zinc/11/35/70/605113570.db2.gz HULSDSDYXMXDTE-GOSISDBHSA-N -1 0 338.407 3.764 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2ccc3nc(C4CC4)oc3c2)CC1 ZINC000833772352 605116088 /nfs/dbraw/zinc/11/60/88/605116088.db2.gz VDFFKGCBRZQPSH-UHFFFAOYSA-N -1 0 328.368 3.535 20 0 EHADRM C[C@H]1CC[C@H](NC(=O)NCc2cccc(C(=O)[O-])c2)c2ccccc21 ZINC000833605157 605127487 /nfs/dbraw/zinc/12/74/87/605127487.db2.gz XWABTHXGPSSKOG-UGSOOPFHSA-N -1 0 338.407 3.823 20 0 EHADRM CC[C@H](C)[C@H](C)NC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000132522315 605128945 /nfs/dbraw/zinc/12/89/45/605128945.db2.gz DJXVQVQJEPVBHP-IUCAKERBSA-N -1 0 343.221 3.703 20 0 EHADRM CCc1ccc(CN(C)C(=O)Nc2cccc(F)c2C(=O)[O-])cc1 ZINC000833669861 605137082 /nfs/dbraw/zinc/13/70/82/605137082.db2.gz HOFJBLCSGGDCKK-UHFFFAOYSA-N -1 0 330.359 3.750 20 0 EHADRM CC1(C)CCC(=CC(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)CC1 ZINC000833557924 605141495 /nfs/dbraw/zinc/14/14/95/605141495.db2.gz ONOHIQBYEBDCNU-UHFFFAOYSA-N -1 0 334.441 3.863 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)Nc2ncc(Cc3cccc(C(=O)[O-])c3)s2)C1 ZINC000833606795 605146769 /nfs/dbraw/zinc/14/67/69/605146769.db2.gz WABCTIQUDZGOLZ-DGCLKSJQSA-N -1 0 344.436 3.807 20 0 EHADRM C[C@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)[C@H]1CC1(C)C ZINC000833549812 605147974 /nfs/dbraw/zinc/14/79/74/605147974.db2.gz OZJWQHBNGJGUPX-TZMCWYRMSA-N -1 0 342.395 3.509 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)NCCC1=CCCC1)c1ccccc1 ZINC000833415566 605163036 /nfs/dbraw/zinc/16/30/36/605163036.db2.gz WMMJQBYQCPVTHM-INIZCTEOSA-N -1 0 330.428 3.638 20 0 EHADRM CCC(CC)n1nc(C(=O)O[C@H](C(=O)[O-])c2ccccc2F)cc1C ZINC000833641815 605165752 /nfs/dbraw/zinc/16/57/52/605165752.db2.gz PKAUGYKIDNDIHW-INIZCTEOSA-N -1 0 348.374 3.674 20 0 EHADRM C[C@H](C(=O)Nc1cncc(C(=O)[O-])c1)c1ccccc1C(F)(F)F ZINC000833411094 605168418 /nfs/dbraw/zinc/16/84/18/605168418.db2.gz LQNIMJGSWIJFKK-VIFPVBQESA-N -1 0 338.285 3.541 20 0 EHADRM C[C@@H](C(=O)Nc1cncc(C(=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000833411187 605168458 /nfs/dbraw/zinc/16/84/58/605168458.db2.gz MZIPSOSCQNRVIL-MRVPVSSYSA-N -1 0 339.178 3.829 20 0 EHADRM C[C@@H]1CC[C@@H](NC(=O)Nc2cncc(C(=O)[O-])c2)c2ccccc21 ZINC000833603354 605182634 /nfs/dbraw/zinc/18/26/34/605182634.db2.gz KOWGFUJISYPGNZ-BDJLRTHQSA-N -1 0 325.368 3.540 20 0 EHADRM CN(Cc1cc(=O)oc2cc3c(cc12)CCC3)c1ccccc1C(=O)[O-] ZINC000833694885 605198007 /nfs/dbraw/zinc/19/80/07/605198007.db2.gz UMELWKPQJFGTOR-UHFFFAOYSA-N -1 0 349.386 3.616 20 0 EHADRM CCC(CC)n1ccc(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)n1 ZINC000826576692 605215288 /nfs/dbraw/zinc/21/52/88/605215288.db2.gz YDCJDJQRFDPEOC-GFCCVEGCSA-N -1 0 344.415 3.825 20 0 EHADRM C[C@@H](c1cccnc1)N(C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833549836 605217561 /nfs/dbraw/zinc/21/75/61/605217561.db2.gz PIVWRJDCLXNLEJ-ZDUSSCGKSA-N -1 0 337.379 3.628 20 0 EHADRM COc1ccc(CC[C@@H](C)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000833731530 605220009 /nfs/dbraw/zinc/22/00/09/605220009.db2.gz HQJMMHCVHDZVMX-CQSZACIVSA-N -1 0 328.412 3.896 20 0 EHADRM C/C(=C/C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-])c1ccc(F)cc1 ZINC000833383606 605225680 /nfs/dbraw/zinc/22/56/80/605225680.db2.gz VBRZDXLHJWXACY-ZSMUJPCHSA-N -1 0 341.382 3.731 20 0 EHADRM C[C@H](C(=O)N(CCc1ccccc1)CC(=O)[O-])c1cccc(Cl)c1 ZINC000427733320 605228302 /nfs/dbraw/zinc/22/83/02/605228302.db2.gz GCVBJZKABLEIAF-AWEZNQCLSA-N -1 0 345.826 3.599 20 0 EHADRM Cc1ccc(-c2nc(CCNc3ccc(C(=O)[O-])c(C)n3)co2)cc1 ZINC000833746603 605229228 /nfs/dbraw/zinc/22/92/28/605229228.db2.gz LQATZMDTRRJPCS-UHFFFAOYSA-N -1 0 337.379 3.706 20 0 EHADRM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Cc1ccccc1C(=O)[O-] ZINC000322577137 605231040 /nfs/dbraw/zinc/23/10/40/605231040.db2.gz RBCDXDGIXJXDCL-LBPRGKRZSA-N -1 0 331.799 3.800 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000833430184 605237081 /nfs/dbraw/zinc/23/70/81/605237081.db2.gz USYIYPMCBPYTFL-LLVKDONJSA-N -1 0 347.180 3.634 20 0 EHADRM COc1ccc(OC(C)C)c(NCc2ccc(NC(=O)[O-])nc2)c1 ZINC000829487939 605253726 /nfs/dbraw/zinc/25/37/26/605253726.db2.gz CEUQEAGTAFWUDP-UHFFFAOYSA-N -1 0 331.372 3.579 20 0 EHADRM Cn1nc(CNc2ccc3c(c2)CCCN3C(=O)[O-])c2ccccc21 ZINC000831050277 605253835 /nfs/dbraw/zinc/25/38/35/605253835.db2.gz JBPANTSFZDMHMA-UHFFFAOYSA-N -1 0 336.395 3.616 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000683320130 605259965 /nfs/dbraw/zinc/25/99/65/605259965.db2.gz JEFIRHWUWUWWKS-MRXNPFEDSA-N -1 0 335.419 3.640 20 0 EHADRM Cc1cc(F)cc(NC(=O)N2CCC(N(CC3CC3)C(=O)[O-])CC2)c1 ZINC000830061142 605260847 /nfs/dbraw/zinc/26/08/47/605260847.db2.gz DONAREVNWWNGCC-UHFFFAOYSA-N -1 0 349.406 3.520 20 0 EHADRM Cc1cc(F)cc(NC(=O)N2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)c1 ZINC000830062285 605261317 /nfs/dbraw/zinc/26/13/17/605261317.db2.gz RMKZUFBWPFCQHM-XJKSGUPXSA-N -1 0 349.406 3.520 20 0 EHADRM CC[C@@H](C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccc(OC)cc1 ZINC000685019570 605267236 /nfs/dbraw/zinc/26/72/36/605267236.db2.gz UGBQGSYDRCZQAG-NVXWUHKLSA-N -1 0 347.455 3.538 20 0 EHADRM C[C@@H](OC(=O)CCc1ccc2[nH]ccc2c1)c1ccc(C(=O)[O-])o1 ZINC000833528802 605275770 /nfs/dbraw/zinc/27/57/70/605275770.db2.gz KWERMOLIYRDNIE-LLVKDONJSA-N -1 0 327.336 3.696 20 0 EHADRM C/C(=C/C(=O)O[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[O-])C1CC1 ZINC000833384462 605279411 /nfs/dbraw/zinc/27/94/11/605279411.db2.gz RABQIONTMJFQLX-GDAGCXPBSA-N -1 0 342.313 3.601 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000263510122 605301928 /nfs/dbraw/zinc/30/19/28/605301928.db2.gz YNIZJTLIZGXJEJ-LBPRGKRZSA-N -1 0 346.349 3.551 20 0 EHADRM CC(C)CCO[C@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000431873675 605302797 /nfs/dbraw/zinc/30/27/97/605302797.db2.gz AGJJURVANNXEKP-KDOFPFPSSA-N -1 0 343.423 3.533 20 0 EHADRM CC(C)COc1ncccc1C(=O)OCc1ccc(NC(=O)[O-])cc1 ZINC000833492056 605304971 /nfs/dbraw/zinc/30/49/71/605304971.db2.gz OPAOUXFYVFVHIT-UHFFFAOYSA-N -1 0 344.367 3.563 20 0 EHADRM CC(C)[C@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000833468231 605312407 /nfs/dbraw/zinc/31/24/07/605312407.db2.gz DABWEDLHDFIDCT-GXFFZTMASA-N -1 0 331.334 3.630 20 0 EHADRM C[C@H](Cc1noc([C@@H]2C[C@@H]2c2cccc(Cl)c2)n1)N(C)C(=O)[O-] ZINC000825042323 605320142 /nfs/dbraw/zinc/32/01/42/605320142.db2.gz UQKAJPHOPFURDJ-OASPWFOLSA-N -1 0 335.791 3.535 20 0 EHADRM CC(C)OCCCC(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000833504137 605337986 /nfs/dbraw/zinc/33/79/86/605337986.db2.gz YOSTUQCNKGXPRP-UHFFFAOYSA-N -1 0 333.306 3.547 20 0 EHADRM O=C([O-])N(CC(=O)N1CCCC[C@@H]1c1ccco1)c1ccccc1 ZINC000831821342 605346168 /nfs/dbraw/zinc/34/61/68/605346168.db2.gz RYQGNKHIJDTQBG-OAHLLOKOSA-N -1 0 328.368 3.518 20 0 EHADRM CCC(CC)n1ccc(CNc2cccc3c2CCN3C(=O)[O-])n1 ZINC000826575659 605355578 /nfs/dbraw/zinc/35/55/78/605355578.db2.gz LQDBIUBOTIFGFO-UHFFFAOYSA-N -1 0 328.416 3.897 20 0 EHADRM COc1cc(NC(=O)c2nc3ccccc3s2)ccc1NC(=O)[O-] ZINC000833887653 605367226 /nfs/dbraw/zinc/36/72/26/605367226.db2.gz JNBWSELBDDWVMX-UHFFFAOYSA-N -1 0 343.364 3.647 20 0 EHADRM Cc1cnn(-c2ccc(C(=O)[O-])cc2NC(=O)[C@@H](C)c2ccccc2)c1 ZINC000833754278 605367831 /nfs/dbraw/zinc/36/78/31/605367831.db2.gz KOEWCSOEWNYLSZ-AWEZNQCLSA-N -1 0 349.390 3.621 20 0 EHADRM C[C@@H]1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C[C@H]1F ZINC000833616632 605390791 /nfs/dbraw/zinc/39/07/91/605390791.db2.gz YDCMYGDQLBZQCS-IAQYHMDHSA-N -1 0 334.416 3.688 20 0 EHADRM CC1(C)C[C@@H](NC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C(C)(C)O1 ZINC000833556362 605395826 /nfs/dbraw/zinc/39/58/26/605395826.db2.gz UHWUREJXZFSOPB-GFCCVEGCSA-N -1 0 340.807 3.506 20 0 EHADRM O=C([O-])N1CC[C@H](CCC(=O)N2CCCCC[C@@H]2c2ccccc2)C1 ZINC000834075341 605418268 /nfs/dbraw/zinc/41/82/68/605418268.db2.gz KMMZMGAYRBZWSO-FUHWJXTLSA-N -1 0 344.455 3.910 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cc(F)cc3cccnc32)cc1 ZINC000834261210 605420848 /nfs/dbraw/zinc/42/08/48/605420848.db2.gz CSIKZATXBMVWJA-UHFFFAOYSA-N -1 0 325.299 3.716 20 0 EHADRM Cc1ccc(C[C@@H](C)C(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000833748232 605448477 /nfs/dbraw/zinc/44/84/77/605448477.db2.gz FOHJBQJBLDVJOW-CQSZACIVSA-N -1 0 326.396 3.580 20 0 EHADRM CC(C)(C)Sc1cc(C(=O)Nc2cc(C(=O)[O-])cs2)ccn1 ZINC000833447905 605460326 /nfs/dbraw/zinc/46/03/26/605460326.db2.gz FYIUEIKELPVZNZ-UHFFFAOYSA-N -1 0 336.438 3.984 20 0 EHADRM O=C([O-])Nc1ccc(CN(Cc2ccc(F)cc2F)C2CC2)cn1 ZINC000834259004 605481778 /nfs/dbraw/zinc/48/17/78/605481778.db2.gz QAMVVJRTPBVBDW-UHFFFAOYSA-N -1 0 333.338 3.614 20 0 EHADRM CC(C)(C)c1ccc(C(=O)COC(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000833450517 605524370 /nfs/dbraw/zinc/52/43/70/605524370.db2.gz SLPRISYNYGPAEQ-UHFFFAOYSA-N -1 0 340.375 3.722 20 0 EHADRM O=C([O-])N[C@@H]1CCCN(C(=O)Nc2cc(C(F)F)ccc2Cl)C1 ZINC000832365942 605557398 /nfs/dbraw/zinc/55/73/98/605557398.db2.gz OQXSPZBGTSNZRX-SECBINFHSA-N -1 0 347.749 3.542 20 0 EHADRM Cc1cc(Br)cc(NC(=O)[C@@H](C)C2CC2)c1NC(=O)[O-] ZINC000833898992 605567996 /nfs/dbraw/zinc/56/79/96/605567996.db2.gz XUUPZTUGFZFZRL-QMMMGPOBSA-N -1 0 341.205 3.832 20 0 EHADRM C[C@@H](NC(=O)C[C@H](NC(=O)[O-])c1ccccc1)c1c(F)cccc1F ZINC000825102923 605579378 /nfs/dbraw/zinc/57/93/78/605579378.db2.gz WWXBEJAJZHRCDG-ABAIWWIYSA-N -1 0 348.349 3.541 20 0 EHADRM O=C([O-])N[C@H](CC(=O)N1CCC[C@@H]1c1ccsc1)c1ccccc1 ZINC000832093726 605587936 /nfs/dbraw/zinc/58/79/36/605587936.db2.gz PJZZRUSNYYSSDP-HZPDHXFCSA-N -1 0 344.436 3.811 20 0 EHADRM C[C@@H](c1cccs1)N(C)C(=O)C[C@@H](NC(=O)[O-])c1ccccc1 ZINC000825644347 605589744 /nfs/dbraw/zinc/58/97/44/605589744.db2.gz BPZFIRMLTMTFKF-GXTWGEPZSA-N -1 0 332.425 3.667 20 0 EHADRM CCN(CCc1ccccc1)C(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000827156090 605599627 /nfs/dbraw/zinc/59/96/27/605599627.db2.gz AZFGVSYAAREWFL-UHFFFAOYSA-N -1 0 326.396 3.790 20 0 EHADRM Cc1cc(C(=O)NCc2ccc(OC(C)C)cc2)ccc1NC(=O)[O-] ZINC000829957067 605604554 /nfs/dbraw/zinc/60/45/54/605604554.db2.gz UMFRDHCDKHZRCR-UHFFFAOYSA-N -1 0 342.395 3.802 20 0 EHADRM C[C@H]1C[C@H](C(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)CC(C)(C)C1 ZINC000833592422 605617275 /nfs/dbraw/zinc/61/72/75/605617275.db2.gz LATIUMWQNJZQDL-QWRGUYRKSA-N -1 0 336.457 3.799 20 0 EHADRM CC1(C)CCCC[C@@H]1CC(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC000573970307 605622457 /nfs/dbraw/zinc/62/24/57/605622457.db2.gz CJIRSNFOEQTGLT-CQSZACIVSA-N -1 0 344.455 3.880 20 0 EHADRM Cc1cc(C(=O)N[C@@H]2CCc3c2cccc3F)ccc1NC(=O)[O-] ZINC000829941246 605639846 /nfs/dbraw/zinc/63/98/46/605639846.db2.gz SOCGYJLDQOMHTK-MRXNPFEDSA-N -1 0 328.343 3.641 20 0 EHADRM O=C([O-])NC1(c2noc(-c3cc(-c4ccccc4)ns3)n2)CCC1 ZINC000834154643 605643582 /nfs/dbraw/zinc/64/35/82/605643582.db2.gz FHABOGWQZHEJNF-UHFFFAOYSA-N -1 0 342.380 3.507 20 0 EHADRM CCOc1ccc(OC)cc1NC(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000827445186 605678169 /nfs/dbraw/zinc/67/81/69/605678169.db2.gz WSCQRABRKUWDIO-UHFFFAOYSA-N -1 0 344.367 3.745 20 0 EHADRM Cc1cc(C(=O)N2CC[C@@H](c3cccc(F)c3)C2)ccc1NC(=O)[O-] ZINC000829924798 605678790 /nfs/dbraw/zinc/67/87/90/605678790.db2.gz KHNRSQUUINOLNK-OAHLLOKOSA-N -1 0 342.370 3.854 20 0 EHADRM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000833605728 605711311 /nfs/dbraw/zinc/71/13/11/605711311.db2.gz LCFRMYGTAMHDST-SCZZXKLOSA-N -1 0 348.296 3.719 20 0 EHADRM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000825808093 605724893 /nfs/dbraw/zinc/72/48/93/605724893.db2.gz HQUGYTRZKGPUSH-WMLDXEAASA-N -1 0 346.471 3.564 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N2CC[C@H](NC(=O)[O-])C[C@H]2C)cc1 ZINC000824463242 605735167 /nfs/dbraw/zinc/73/51/67/605735167.db2.gz FEPYESAYCLVCBX-RKVPGOIHSA-N -1 0 346.471 3.951 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)NCCCSc2ccccc2)c1 ZINC000834267074 605755596 /nfs/dbraw/zinc/75/55/96/605755596.db2.gz MCGHNIPWPTXZPN-UHFFFAOYSA-N -1 0 344.436 3.618 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)NC2CCC(C(F)(F)F)CC2)c1 ZINC000834265866 605757985 /nfs/dbraw/zinc/75/79/85/605757985.db2.gz SKWAVWQFYCZJBE-UHFFFAOYSA-N -1 0 344.333 3.556 20 0 EHADRM CC(C)Cn1ncnc1CSCc1cc(C(=O)[O-])ccc1Cl ZINC000833495503 605788069 /nfs/dbraw/zinc/78/80/69/605788069.db2.gz FINRYHHLBKEUOS-UHFFFAOYSA-N -1 0 339.848 3.719 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)CCc2ccc(Cl)s2)c(F)c1 ZINC000833776664 605798119 /nfs/dbraw/zinc/79/81/19/605798119.db2.gz MMFDHKRKKJSXHE-UHFFFAOYSA-N -1 0 342.775 3.706 20 0 EHADRM CC(C)(CC(=O)Oc1ccc(CC(=O)[O-])cc1F)c1ccccc1 ZINC000833457318 605799792 /nfs/dbraw/zinc/79/97/92/605799792.db2.gz PLNWCYYSUUWKJJ-UHFFFAOYSA-N -1 0 330.355 3.726 20 0 EHADRM Cc1cc(C(=O)NCCOC2CCCCCC2)ccc1NC(=O)[O-] ZINC000829950726 605811184 /nfs/dbraw/zinc/81/11/84/605811184.db2.gz QPXPGRAYISRYQR-UHFFFAOYSA-N -1 0 334.416 3.554 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)Nc2nc(-c3ccco3)cs2)c1 ZINC000834265961 605811156 /nfs/dbraw/zinc/81/11/56/605811156.db2.gz HQJBERKOOHGPLK-UHFFFAOYSA-N -1 0 343.364 3.674 20 0 EHADRM O=C([O-])N[C@H]1C[C@H](Nc2ccc(N3CCCC3)nc2)c2ccccc21 ZINC000834159383 605811193 /nfs/dbraw/zinc/81/11/93/605811193.db2.gz SRUVFEWRIPBTHF-IRXDYDNUSA-N -1 0 338.411 3.547 20 0 EHADRM CCCN(C(=O)c1cccc(C(F)F)c1)C1CCN(C(=O)[O-])CC1 ZINC000826887233 605819280 /nfs/dbraw/zinc/81/92/80/605819280.db2.gz NDACZAWMRADILX-UHFFFAOYSA-N -1 0 340.370 3.619 20 0 EHADRM O=C([O-])c1ccc(F)c(CN[C@H](c2ccccc2)c2ccccn2)c1 ZINC000833780943 605840008 /nfs/dbraw/zinc/84/00/08/605840008.db2.gz KDBXWUSYGQKOMK-LJQANCHMSA-N -1 0 336.366 3.798 20 0 EHADRM CC(C)Oc1nnc(SCc2cc(C(=O)[O-])ccc2Cl)s1 ZINC000833508210 605862080 /nfs/dbraw/zinc/86/20/80/605862080.db2.gz YLVHCBRFELPTPO-UHFFFAOYSA-N -1 0 344.845 3.969 20 0 EHADRM O=C([O-])NCCCCC(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000834237109 605893685 /nfs/dbraw/zinc/89/36/85/605893685.db2.gz XJQVDAKQJHJJIM-UHFFFAOYSA-N -1 0 345.226 3.537 20 0 EHADRM O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)Nc1cccc3ccsc31)C2 ZINC000834055998 605941303 /nfs/dbraw/zinc/94/13/03/605941303.db2.gz ICUQJSIENXWIKR-YHWZYXNKSA-N -1 0 345.424 3.696 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)c1cc(=O)[nH]c(C(C)C)c1 ZINC000833905779 605975184 /nfs/dbraw/zinc/97/51/84/605975184.db2.gz BTZQMQOCIJDCLT-UHFFFAOYSA-N -1 0 329.356 3.561 20 0 EHADRM O=C([O-])N1CCC(CCC(=O)N2CCC(c3ccccc3)CC2)CC1 ZINC000834070848 606006205 /nfs/dbraw/zinc/00/62/05/606006205.db2.gz BPQIOBWITSECBQ-UHFFFAOYSA-N -1 0 344.455 3.563 20 0 EHADRM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000834162533 606070971 /nfs/dbraw/zinc/07/09/71/606070971.db2.gz ZDDQJTYQYRFXBK-OEBMHFSPSA-N -1 0 348.487 3.773 20 0 EHADRM O=C([O-])[C@H](NC(=O)CCc1ccsc1)c1ccc2ccccc2c1 ZINC000191471895 939036957 /nfs/dbraw/zinc/03/69/57/939036957.db2.gz QGGDSOJUMXTNLB-GOSISDBHSA-N -1 0 339.416 3.776 20 0 EHADRM CC[C@H](C)[C@@H](C)NC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000684737470 939039275 /nfs/dbraw/zinc/03/92/75/939039275.db2.gz WORFYQYCDLYGCI-OGHNNQOOSA-N -1 0 328.412 3.699 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1cc(F)cc(Cl)c1)c1ccccc1F ZINC000684746189 939048367 /nfs/dbraw/zinc/04/83/67/939048367.db2.gz VRLYEGZUGANBRZ-ZDUSSCGKSA-N -1 0 340.713 3.566 20 0 EHADRM Cc1sc(-c2ccco2)nc1C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000237715936 939048863 /nfs/dbraw/zinc/04/88/63/939048863.db2.gz YSJOJHHLSGNZIX-UHFFFAOYSA-N -1 0 348.424 3.619 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000237817709 939050801 /nfs/dbraw/zinc/05/08/01/939050801.db2.gz RGKQPKUBCZKTNM-OAHLLOKOSA-N -1 0 343.766 3.950 20 0 EHADRM CC[C@@](NC(=O)c1cc(C)oc1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000261986400 939058361 /nfs/dbraw/zinc/05/83/61/939058361.db2.gz CNNLOWMZEJIPLH-KRWDZBQOSA-N -1 0 335.787 3.670 20 0 EHADRM CCCc1occc1C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000263545401 939114995 /nfs/dbraw/zinc/11/49/95/939114995.db2.gz TVGXKOZZDGGKSY-AWEZNQCLSA-N -1 0 339.750 3.580 20 0 EHADRM C[C@](NC(=O)c1ccc(Cl)cc1Cl)(C(=O)[O-])c1ccccc1 ZINC000315623311 939121412 /nfs/dbraw/zinc/12/14/12/939121412.db2.gz ONFUFWIXXCRSTI-MRXNPFEDSA-N -1 0 338.190 3.723 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000320264442 939123716 /nfs/dbraw/zinc/12/37/16/939123716.db2.gz KGNHKKCOWDXIRS-QGZVFWFLSA-N -1 0 332.787 3.770 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2ccc(F)cc2s1)c1ccccc1 ZINC000321365983 939124055 /nfs/dbraw/zinc/12/40/55/939124055.db2.gz OEMUNPVNWZMXGI-OAHLLOKOSA-N -1 0 329.352 3.596 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1cccc2ccccc21)c1cccs1 ZINC000322748122 939124970 /nfs/dbraw/zinc/12/49/70/939124970.db2.gz WVDKYMKEQVTPPU-HNNXBMFYSA-N -1 0 326.377 3.849 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1ccccc1C(F)(F)F)c1cccs1 ZINC000322442758 939125098 /nfs/dbraw/zinc/12/50/98/939125098.db2.gz SBKDAMHOHCEASG-LLVKDONJSA-N -1 0 344.314 3.714 20 0 EHADRM CCc1cc(NC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)ccc1C ZINC000326213440 939126992 /nfs/dbraw/zinc/12/69/92/939126992.db2.gz FNXOTKOJAHQGJP-LJQANCHMSA-N -1 0 326.396 3.679 20 0 EHADRM CCC1CCC(NC(=O)[C@@H]2C[C@H]2c2sccc2C)(C(=O)[O-])CC1 ZINC000346015878 939128421 /nfs/dbraw/zinc/12/84/21/939128421.db2.gz NIQDKBMFMKMFRK-OOWFEOPPSA-N -1 0 335.469 3.700 20 0 EHADRM Cc1cc(C)cc([C@@H](NC(=O)NC[C@@H](C)c2ccccc2)C(=O)[O-])c1 ZINC000797703972 939160282 /nfs/dbraw/zinc/16/02/82/939160282.db2.gz MJRZXQYNZYFKSX-CRAIPNDOSA-N -1 0 340.423 3.532 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)C1 ZINC000431859477 939163780 /nfs/dbraw/zinc/16/37/80/939163780.db2.gz RGYYSEIMNSKWED-JEBQAFNWSA-N -1 0 325.408 3.908 20 0 EHADRM C[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1)c1ccsc1 ZINC000431871181 939165401 /nfs/dbraw/zinc/16/54/01/939165401.db2.gz KYIWGHQGIVZGPX-PXAZEXFGSA-N -1 0 339.416 3.947 20 0 EHADRM O=C([O-])[C@@H](NC(=O)NC[C@H]1CC=CCC1)c1cccc2ccccc21 ZINC000797711308 939170149 /nfs/dbraw/zinc/17/01/49/939170149.db2.gz JCJCPEBIQAERAN-KSSFIOAISA-N -1 0 338.407 3.621 20 0 EHADRM CC[C@H](NC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)c1ccc(C)cc1 ZINC000797718178 939179647 /nfs/dbraw/zinc/17/96/47/939179647.db2.gz OVEMGOVKGFCDLO-FXAWDEMLSA-N -1 0 340.423 3.745 20 0 EHADRM CC[C@@H](NC(=O)N[C@](C)(C(=O)[O-])c1ccccc1)c1ccc(C)cc1 ZINC000797718182 939179793 /nfs/dbraw/zinc/17/97/93/939179793.db2.gz OVEMGOVKGFCDLO-XLIONFOSSA-N -1 0 340.423 3.745 20 0 EHADRM CSCc1ccc(NC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000797742209 939204231 /nfs/dbraw/zinc/20/42/31/939204231.db2.gz FPMKSVONZKZBBS-SFHVURJKSA-N -1 0 344.436 3.671 20 0 EHADRM Cc1ccc([C@H](NC(=O)[C@H]2CCCc3sccc32)C(=O)[O-])cc1C ZINC000448992648 939205615 /nfs/dbraw/zinc/20/56/15/939205615.db2.gz MACVJOUALYVBNL-RDJZCZTQSA-N -1 0 343.448 3.727 20 0 EHADRM Cc1ccc(CCCCC(=O)N[C@H](C(=O)[O-])c2cccs2)cc1 ZINC000448997951 939206760 /nfs/dbraw/zinc/20/67/60/939206760.db2.gz UZVDUDDFLHCJGD-KRWDZBQOSA-N -1 0 331.437 3.711 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@H]1CC=CCC1)c1ccc(Cl)cc1Cl ZINC000449005256 939207301 /nfs/dbraw/zinc/20/73/01/939207301.db2.gz UMDMCWDLNPBVQT-ZANVPECISA-N -1 0 328.195 3.592 20 0 EHADRM Cc1cc([C@H](NC(=O)[C@H]2CCCc3sccc32)C(=O)[O-])ccc1F ZINC000455882018 939208243 /nfs/dbraw/zinc/20/82/43/939208243.db2.gz ILYQHMXPWXIZOX-BBRMVZONSA-N -1 0 347.411 3.558 20 0 EHADRM CC[C@](NC(=O)c1cc(C)ccc1F)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507310113 939233465 /nfs/dbraw/zinc/23/34/65/939233465.db2.gz SCDLYHOMYARODH-GOSISDBHSA-N -1 0 349.789 3.907 20 0 EHADRM CC[C@](NC(=O)Cc1ccc(F)cc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507311585 939234307 /nfs/dbraw/zinc/23/43/07/939234307.db2.gz NDKDMLRGJLBRJN-GOSISDBHSA-N -1 0 349.789 3.528 20 0 EHADRM CC[C@](NC(=O)c1ccc(Cl)o1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507316047 939235120 /nfs/dbraw/zinc/23/51/20/939235120.db2.gz FWBHIRWDCUQVKV-OAHLLOKOSA-N -1 0 342.178 3.706 20 0 EHADRM CC[C@@](NC(=O)[C@H]1CC12CCCC2)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507316470 939235174 /nfs/dbraw/zinc/23/51/74/939235174.db2.gz GZBYCHIEWJNNIG-KDOFPFPSSA-N -1 0 335.831 3.726 20 0 EHADRM Cc1cccc([C@@H](C)C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000540667065 939289456 /nfs/dbraw/zinc/28/94/56/939289456.db2.gz SCHOBQLYJMYXOC-BDJLRTHQSA-N -1 0 349.789 3.833 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CC1CCCCC1)c1ccc(OC(F)F)cc1 ZINC000540704518 939293576 /nfs/dbraw/zinc/29/35/76/939293576.db2.gz JPDDDYFULZMGKY-HNNXBMFYSA-N -1 0 341.354 3.500 20 0 EHADRM CC(C)c1ccccc1NC(=O)NC1(C(=O)[O-])Cc2ccccc2C1 ZINC000559432120 939312945 /nfs/dbraw/zinc/31/29/45/939312945.db2.gz WXAIJHUHSWWWCU-UHFFFAOYSA-N -1 0 338.407 3.554 20 0 EHADRM CC[C@](NC(=O)NCc1ccc(Cl)cc1)(C(=O)[O-])c1ccccc1 ZINC000561509777 939319432 /nfs/dbraw/zinc/31/94/32/939319432.db2.gz SAVHBXUKGGGCDF-GOSISDBHSA-N -1 0 346.814 3.529 20 0 EHADRM O=C([O-])[C@H](NC(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccsc1 ZINC000562391809 939322111 /nfs/dbraw/zinc/32/21/11/939322111.db2.gz UDQUWMRYEIMJAV-CTHBEMJXSA-N -1 0 336.457 3.532 20 0 EHADRM O=C([O-])[C@H](NC(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccsc1 ZINC000562391810 939322153 /nfs/dbraw/zinc/32/21/53/939322153.db2.gz UDQUWMRYEIMJAV-DDHJSBNISA-N -1 0 336.457 3.532 20 0 EHADRM CC(C)[C@@H](CNC(=O)N[C@H](C(=O)[O-])c1cccs1)c1ccccc1 ZINC000562975338 939337767 /nfs/dbraw/zinc/33/77/67/939337767.db2.gz VNTUHONOVIGXAF-ZBFHGGJFSA-N -1 0 346.452 3.613 20 0 EHADRM CCCOc1cccc(NC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)c1 ZINC000564748895 939345721 /nfs/dbraw/zinc/34/57/21/939345721.db2.gz DIXGVDIDAYWVQN-MRXNPFEDSA-N -1 0 334.416 3.630 20 0 EHADRM COc1ccc([C@@H](NC(=O)[C@@H](C)CC2CCCCC2)C(=O)[O-])cc1 ZINC000568914961 939371214 /nfs/dbraw/zinc/37/12/14/939371214.db2.gz BTGFUCPFPZVMNK-SUMWQHHRSA-N -1 0 333.428 3.544 20 0 EHADRM Cc1cccc([C@@H](NC(=O)NCCC2=CCCCC2)C(=O)[O-])c1C ZINC000568948959 939371598 /nfs/dbraw/zinc/37/15/98/939371598.db2.gz JKMWRCQMLNYYEC-QGZVFWFLSA-N -1 0 330.428 3.619 20 0 EHADRM Cc1cccc([C@H](NC(=O)NCCC2=CCCCC2)C(=O)[O-])c1C ZINC000568948958 939371656 /nfs/dbraw/zinc/37/16/56/939371656.db2.gz JKMWRCQMLNYYEC-KRWDZBQOSA-N -1 0 330.428 3.619 20 0 EHADRM CCc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2C)c1 ZINC000569421009 939374866 /nfs/dbraw/zinc/37/48/66/939374866.db2.gz JSHRXRNZLKNROQ-QGZVFWFLSA-N -1 0 326.396 3.813 20 0 EHADRM Cc1ccc([C@@H](NC(=O)Nc2cccc(C)c2C)C(=O)[O-])cc1C ZINC000570506114 939383788 /nfs/dbraw/zinc/38/37/88/939383788.db2.gz PBFVNTMHLLPNEW-QGZVFWFLSA-N -1 0 326.396 3.868 20 0 EHADRM CCc1nc2cc(NC(=O)N[C@H](C(=O)[O-])C3CCCCC3)ccc2o1 ZINC000571831454 939394319 /nfs/dbraw/zinc/39/43/19/939394319.db2.gz OHGZQTNIUSDDDU-INIZCTEOSA-N -1 0 345.399 3.545 20 0 EHADRM Cc1ccc([C@H](NC(=O)CC(C)(C)CC(F)F)C(=O)[O-])cc1C ZINC000909693725 939725856 /nfs/dbraw/zinc/72/58/56/939725856.db2.gz JJPSCPXCOWROLE-HNNXBMFYSA-N -1 0 327.371 3.617 20 0 EHADRM Cc1ccc([C@H](NC(=O)c2cscc2C(F)F)C(=O)[O-])cc1C ZINC000909696385 939726367 /nfs/dbraw/zinc/72/63/67/939726367.db2.gz SZKVMEFCOWYARC-ZDUSSCGKSA-N -1 0 339.363 3.858 20 0 EHADRM COc1ccc([C@H](NC(=O)Nc2ccc(C)cc2)C(=O)[O-])cc1Cl ZINC000574746233 939729069 /nfs/dbraw/zinc/72/90/69/939729069.db2.gz JMNNEPYIXIRWLZ-HNNXBMFYSA-N -1 0 348.786 3.604 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)N[C@@H](C(=O)[O-])c1ccsc1 ZINC000579860533 939765677 /nfs/dbraw/zinc/76/56/77/939765677.db2.gz LDSPZGQFFJOCNS-YVEFUNNKSA-N -1 0 347.436 3.583 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccsc1C(F)F)C1CCCCCC1 ZINC000923112337 939785989 /nfs/dbraw/zinc/78/59/89/939785989.db2.gz XDBMFKZUPFVJPM-LLVKDONJSA-N -1 0 331.384 3.839 20 0 EHADRM Cc1ccc([C@H](NC(=O)Nc2ccc3c(c2)CCC3)C(=O)[O-])cc1C ZINC000583359654 939790491 /nfs/dbraw/zinc/79/04/91/939790491.db2.gz CENZXVDNYITFIA-SFHVURJKSA-N -1 0 338.407 3.740 20 0 EHADRM O=C([O-])[C@@H](NC(=O)N[C@H]1C=CCCC1)c1ccc(Cl)cc1Cl ZINC000584758390 939799520 /nfs/dbraw/zinc/79/95/20/939799520.db2.gz UTSNWDBSQHWZOX-GWCFXTLKSA-N -1 0 343.210 3.527 20 0 EHADRM O=C(/C=C\c1cccs1)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000588593023 939800455 /nfs/dbraw/zinc/80/04/55/939800455.db2.gz XUWKXKZDNPANHH-LPADLIQXSA-N -1 0 337.400 3.857 20 0 EHADRM Cc1cccc(Oc2ccc(NC(=O)[C@@H](C(=O)[O-])C3CC3)cn2)c1C ZINC000656852336 939847243 /nfs/dbraw/zinc/84/72/43/939847243.db2.gz MTRQKHRQSAHDDW-KRWDZBQOSA-N -1 0 340.379 3.540 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)N[C@@H](C(=O)[O-])c1ccsc1 ZINC000659161917 939848493 /nfs/dbraw/zinc/84/84/93/939848493.db2.gz LYTBQFTUBGLNCC-CZUORRHYSA-N -1 0 331.437 3.567 20 0 EHADRM Cc1cccc2c1CCC[C@@H]2NC(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC000663268261 939859411 /nfs/dbraw/zinc/85/94/11/939859411.db2.gz BFOWUCKYXFISOX-GOEBONIOSA-N -1 0 344.436 3.559 20 0 EHADRM O=C([O-])[C@]1(NC(=O)c2csc3ccccc23)CCc2ccccc21 ZINC000675990688 939867460 /nfs/dbraw/zinc/86/74/60/939867460.db2.gz JYPMEEWMOPAHGE-IBGZPJMESA-N -1 0 337.400 3.557 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)c1 ZINC000679558553 939869997 /nfs/dbraw/zinc/86/99/97/939869997.db2.gz ASAWTLHXRXLABK-MLGOLLRUSA-N -1 0 334.416 3.549 20 0 EHADRM Cc1ccc(N(C(=O)c2cccc(OCC(=O)[O-])c2)C(C)C)cc1 ZINC001600431337 970809001 /nfs/dbraw/zinc/80/90/01/970809001.db2.gz DAKYDSORMHQFEE-UHFFFAOYSA-N -1 0 327.380 3.514 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000322143842 970852349 /nfs/dbraw/zinc/85/23/49/970852349.db2.gz RRZJOCOCUXQLJB-RKDXNWHRSA-N -1 0 333.281 3.831 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)ccc1F ZINC000322461044 970889454 /nfs/dbraw/zinc/88/94/54/970889454.db2.gz HOKSFEOJAZMROJ-BDAKNGLRSA-N -1 0 333.281 3.831 20 0 EHADRM O=C([O-])c1cccc(F)c1NC(=O)c1ccccc1C(F)(F)F ZINC000322645513 970914363 /nfs/dbraw/zinc/91/43/63/970914363.db2.gz ZIOPSBKLLOJQAP-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)c1ccnc2ccccc21 ZINC000322934142 970946854 /nfs/dbraw/zinc/94/68/54/970946854.db2.gz PCRVTRIHAHMPAC-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](c2nc(Cc3c(F)cccc3Cl)no2)C1 ZINC000323302766 970986857 /nfs/dbraw/zinc/98/68/57/970986857.db2.gz AVTMELIJTUBBSF-VHSXEESVSA-N -1 0 338.766 3.811 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)C1 ZINC001601426517 970993297 /nfs/dbraw/zinc/99/32/97/970993297.db2.gz BKDSAWNRPQGPEO-YWPYICTPSA-N -1 0 339.794 3.547 20 0 EHADRM O=C([O-])c1c(Cl)cccc1NC(=O)N1CC=C(C(F)(F)F)CC1 ZINC000323476754 971008444 /nfs/dbraw/zinc/00/84/44/971008444.db2.gz YPQSUBCXSMNPQJ-UHFFFAOYSA-N -1 0 348.708 3.765 20 0 EHADRM Cc1cc(Cl)ccc1NC(=O)NCCc1ccccc1C(=O)[O-] ZINC000323800262 971040287 /nfs/dbraw/zinc/04/02/87/971040287.db2.gz KYFXRCLTKYCEDD-UHFFFAOYSA-N -1 0 332.787 3.711 20 0 EHADRM Cc1cccc(OCCCC(=O)Nc2ccc(F)cc2C(=O)[O-])c1 ZINC000323925026 971059136 /nfs/dbraw/zinc/05/91/36/971059136.db2.gz WSPNWJYEGUWUCW-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM COc1ccc(CCC(=O)N(C)c2ccccc2C(=O)[O-])cc1Cl ZINC000324014499 971073586 /nfs/dbraw/zinc/07/35/86/971073586.db2.gz KAKSDPGJPLHINZ-UHFFFAOYSA-N -1 0 347.798 3.642 20 0 EHADRM Cc1ccc(SCC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC000324056666 971078777 /nfs/dbraw/zinc/07/87/77/971078777.db2.gz ZGALCZQXKVBURK-UHFFFAOYSA-N -1 0 337.347 3.702 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)OCc1cccc(Cl)c1 ZINC001601869023 971086126 /nfs/dbraw/zinc/08/61/26/971086126.db2.gz LPUZZMGUYQLHIZ-INIZCTEOSA-N -1 0 345.782 3.661 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)CSc1ccc2c(c1)CCC2 ZINC000324151741 971089146 /nfs/dbraw/zinc/08/91/46/971089146.db2.gz YLNBLKOZJQUMGQ-UHFFFAOYSA-N -1 0 345.395 3.743 20 0 EHADRM CN(C(=O)Nc1ccc(F)c(C(=O)[O-])c1F)C1CCCCCC1 ZINC000324187826 971094422 /nfs/dbraw/zinc/09/44/22/971094422.db2.gz YOYORGGZOBTXRE-UHFFFAOYSA-N -1 0 326.343 3.850 20 0 EHADRM CC(C)COc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000324203263 971096574 /nfs/dbraw/zinc/09/65/74/971096574.db2.gz MJMSVKUSRPUZQL-UHFFFAOYSA-N -1 0 331.343 3.811 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)NCCCC2CCCC2)c1F ZINC000324209201 971097696 /nfs/dbraw/zinc/09/76/96/971097696.db2.gz CQQPFTQTDGTYFQ-UHFFFAOYSA-N -1 0 326.343 3.755 20 0 EHADRM O=C([O-])CCCNC(=O)N[C@H](c1ccc(F)cc1)C1CCCCC1 ZINC001601991506 971118775 /nfs/dbraw/zinc/11/87/75/971118775.db2.gz SCFGQBNUKCBLOR-KRWDZBQOSA-N -1 0 336.407 3.611 20 0 EHADRM CCCCc1ccc(C(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)cc1 ZINC000324412520 971117398 /nfs/dbraw/zinc/11/73/98/971117398.db2.gz KUMJHDPFKNDUQR-INIZCTEOSA-N -1 0 343.345 3.508 20 0 EHADRM N#Cc1ccc(NC[C@H](C(=O)[O-])c2ccccc2)cc1C(F)(F)F ZINC000324951018 971172257 /nfs/dbraw/zinc/17/22/57/971172257.db2.gz GWSNEEJWUOHGJR-AWEZNQCLSA-N -1 0 334.297 3.857 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc3ccccc3c(=O)[nH]2)ccc1Cl ZINC000325006452 971175522 /nfs/dbraw/zinc/17/55/22/971175522.db2.gz AZDQBTKGMNIKEQ-UHFFFAOYSA-N -1 0 342.738 3.544 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC000325258784 971198091 /nfs/dbraw/zinc/19/80/91/971198091.db2.gz NBQPCALGYHKNDZ-RYQLBKOJSA-N -1 0 329.440 3.650 20 0 EHADRM C[C@@H](NC(=O)NCc1ccccc1CC(=O)[O-])c1ccc(Cl)cc1 ZINC000325320148 971204778 /nfs/dbraw/zinc/20/47/78/971204778.db2.gz VTXOSHJOBUXGHV-GFCCVEGCSA-N -1 0 346.814 3.528 20 0 EHADRM Cc1ccc(F)c(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)c1F ZINC000325363773 971208385 /nfs/dbraw/zinc/20/83/85/971208385.db2.gz NPWCDTRXVOIPJT-AWEZNQCLSA-N -1 0 333.334 3.609 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N[C@@H]2CCCc3sccc32)cc1 ZINC000325422393 971214567 /nfs/dbraw/zinc/21/45/67/971214567.db2.gz XGFXCKCXIDUYCQ-OAHLLOKOSA-N -1 0 344.436 3.964 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(Cl)c3ccccc3n2)cc1F ZINC000325671995 971234983 /nfs/dbraw/zinc/23/49/83/971234983.db2.gz CIOBWYNYMCKYLH-UHFFFAOYSA-N -1 0 344.729 3.978 20 0 EHADRM O=C([O-])c1ccc([N+](=O)[O-])c(Oc2ccc(F)c(C(F)(F)F)c2)n1 ZINC000326208414 971273672 /nfs/dbraw/zinc/27/36/72/971273672.db2.gz QOGZKIKGPJHGEN-UHFFFAOYSA-N -1 0 346.192 3.638 20 0 EHADRM CN(C(=O)c1cnc(Cl)c2ccccc12)c1ccccc1C(=O)[O-] ZINC000326241992 971276836 /nfs/dbraw/zinc/27/68/36/971276836.db2.gz XWVWCQADQKULCK-UHFFFAOYSA-N -1 0 340.766 3.863 20 0 EHADRM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000326378756 971287205 /nfs/dbraw/zinc/28/72/05/971287205.db2.gz HQGMZPAKZOPSGH-LLVKDONJSA-N -1 0 348.296 3.719 20 0 EHADRM Cc1cc(NC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)ccc1C(=O)[O-] ZINC000326423998 971292097 /nfs/dbraw/zinc/29/20/97/971292097.db2.gz RVPDFQAIBDVHAF-LBPRGKRZSA-N -1 0 344.333 3.888 20 0 EHADRM Cc1cccc(CSCC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])c1 ZINC000326488884 971298098 /nfs/dbraw/zinc/29/80/98/971298098.db2.gz IEZVKEDENUYLTI-QGZVFWFLSA-N -1 0 349.496 3.768 20 0 EHADRM Cc1cccc(CSCC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])c1 ZINC000326586948 971306408 /nfs/dbraw/zinc/30/64/08/971306408.db2.gz IEZVKEDENUYLTI-KRWDZBQOSA-N -1 0 349.496 3.768 20 0 EHADRM Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000326683125 971317498 /nfs/dbraw/zinc/31/74/98/971317498.db2.gz OOZVYRYNUCHHAK-UHFFFAOYSA-N -1 0 347.436 3.926 20 0 EHADRM O=C([O-])CC1(Cc2nnc(-c3ccc4ccccc4n3)o2)CCCC1 ZINC000327404106 971396844 /nfs/dbraw/zinc/39/68/44/971396844.db2.gz VUVUESORKUCWKC-UHFFFAOYSA-N -1 0 337.379 3.862 20 0 EHADRM O=C([O-])[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)F)Cc2ccccc21 ZINC000327488424 971403391 /nfs/dbraw/zinc/40/33/91/971403391.db2.gz IUWDZRXVWSTQIF-AWEZNQCLSA-N -1 0 348.305 3.721 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000327517092 971405458 /nfs/dbraw/zinc/40/54/58/971405458.db2.gz QGGGZIDUCQINOO-CQSZACIVSA-N -1 0 349.308 3.924 20 0 EHADRM Cc1ccc2oc(C(=O)N3CC[C@@H](C(=O)[O-])c4ccccc43)cc2c1 ZINC000327528813 971406895 /nfs/dbraw/zinc/40/68/95/971406895.db2.gz SKWFOXQZAJAXFO-OAHLLOKOSA-N -1 0 335.359 3.960 20 0 EHADRM Cc1cc(C)c(NC(=O)N2CCc3c(cccc3C(=O)[O-])C2)c(C)c1 ZINC000328313483 971461563 /nfs/dbraw/zinc/46/15/63/971461563.db2.gz PDSIOLUROYGJSK-UHFFFAOYSA-N -1 0 338.407 3.900 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000013094792 948775617 /nfs/dbraw/zinc/77/56/17/948775617.db2.gz CKQOIHVAVDNJIM-UHFFFAOYSA-N -1 0 325.242 3.536 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)Oc2ccc(CC(=O)[O-])cc2)cc1 ZINC000013463700 948783993 /nfs/dbraw/zinc/78/39/93/948783993.db2.gz QTUNFEUROSRSAN-CYBMUJFWSA-N -1 0 348.420 3.595 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1ccc(Br)cc1Cl ZINC000035720909 948813351 /nfs/dbraw/zinc/81/33/51/948813351.db2.gz ARQSCNCHUNNEDI-UHFFFAOYSA-N -1 0 334.597 3.686 20 0 EHADRM O=C([O-])[C@H]1CCCCN1C(=O)CSc1cc(Cl)ccc1Cl ZINC000036966343 948822698 /nfs/dbraw/zinc/82/26/98/948822698.db2.gz HZPWVFALPBVCTL-LLVKDONJSA-N -1 0 348.251 3.551 20 0 EHADRM CCC(F)(F)c1ccccc1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001589561893 948824420 /nfs/dbraw/zinc/82/44/20/948824420.db2.gz LHEJSTUWGBZXKA-MNOVXSKESA-N -1 0 326.343 3.563 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)N(CC(=O)[O-])c1ccccc1 ZINC000337742450 971516106 /nfs/dbraw/zinc/51/61/06/971516106.db2.gz LXCDEBCTOMSUEX-OAHLLOKOSA-N -1 0 341.407 3.697 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000342517998 971517939 /nfs/dbraw/zinc/51/79/39/971517939.db2.gz CYYZJESFTCCAMB-UHFFFAOYSA-N -1 0 340.379 3.522 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000344042318 971518541 /nfs/dbraw/zinc/51/85/41/971518541.db2.gz ZEJUSGQBMLTUEZ-UHFFFAOYSA-N -1 0 329.400 3.514 20 0 EHADRM Cc1oc(CNC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)cc1C(=O)[O-] ZINC000345881566 971519728 /nfs/dbraw/zinc/51/97/28/971519728.db2.gz ZMKMZFGQCYDTQF-MOPGFXCFSA-N -1 0 349.386 3.859 20 0 EHADRM CCCC[C@H](NC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000347256846 971521509 /nfs/dbraw/zinc/52/15/09/971521509.db2.gz GTZAUTLCXDJBIL-YGRLFVJLSA-N -1 0 346.254 3.932 20 0 EHADRM CCCC[C@H](NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000347255816 971521644 /nfs/dbraw/zinc/52/16/44/971521644.db2.gz DSHTWXLVHVNMMQ-RNCFNFMXSA-N -1 0 332.227 3.857 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)cc1 ZINC000347136799 971521820 /nfs/dbraw/zinc/52/18/20/971521820.db2.gz OQNCOWSTIKOJGR-HOTGVXAUSA-N -1 0 329.783 3.709 20 0 EHADRM CCCC[C@@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000347260989 971523019 /nfs/dbraw/zinc/52/30/19/971523019.db2.gz MTOMXXGLJNKSJW-CYBMUJFWSA-N -1 0 332.227 3.686 20 0 EHADRM CC[C@H](NC(=O)CC1(CC(=O)[O-])CCCC1)c1ccc(F)cc1F ZINC000348282440 971527810 /nfs/dbraw/zinc/52/78/10/971527810.db2.gz RKCBJDJQNQTFFQ-HNNXBMFYSA-N -1 0 339.382 3.957 20 0 EHADRM CC[C@@H](OC(=O)c1ccc(C(=O)[O-])nc1)C(C)(C)c1ccccc1 ZINC001589580072 949005571 /nfs/dbraw/zinc/00/55/71/949005571.db2.gz UZDVNOULBRYHIA-MRXNPFEDSA-N -1 0 327.380 3.693 20 0 EHADRM CC(C)Sc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1 ZINC000354175126 971530356 /nfs/dbraw/zinc/53/03/56/971530356.db2.gz ZHFBEEJLMUOCTI-UHFFFAOYSA-N -1 0 345.420 3.903 20 0 EHADRM CCC1(C(=O)Nc2cc(C(=O)[O-])ccc2Br)CCC1 ZINC001589584718 949034679 /nfs/dbraw/zinc/03/46/79/949034679.db2.gz UOWNCKDFDGGIBX-UHFFFAOYSA-N -1 0 326.190 3.666 20 0 EHADRM CC(=O)c1cccc(NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])c1 ZINC000362404093 971535016 /nfs/dbraw/zinc/53/50/16/971535016.db2.gz SFPNAUZYOUZGCK-LBPRGKRZSA-N -1 0 343.404 3.707 20 0 EHADRM CCN(C(=O)c1cccc(C(=O)[O-])n1)[C@@H](C)c1cc2ccccc2o1 ZINC000362500356 971535117 /nfs/dbraw/zinc/53/51/17/971535117.db2.gz RHCPPLNUMCKHLU-LBPRGKRZSA-N -1 0 338.363 3.749 20 0 EHADRM Cc1oc(CN(C)C(=O)c2oc3ccc(F)cc3c2C)cc1C(=O)[O-] ZINC000362751199 971537244 /nfs/dbraw/zinc/53/72/44/971537244.db2.gz CZVZIMSHMADSIC-UHFFFAOYSA-N -1 0 345.326 3.752 20 0 EHADRM CC[C@H](Sc1nnc(-c2ccccc2F)n1CC(C)C)C(=O)[O-] ZINC001589586821 949059768 /nfs/dbraw/zinc/05/97/68/949059768.db2.gz XPLRDSJWFKLMMP-ZDUSSCGKSA-N -1 0 337.420 3.696 20 0 EHADRM CC(C)[C@@H]1CCC[C@H](Nc2nc(-c3nnn[n-]3)c(Cl)s2)C1 ZINC001574093599 949110285 /nfs/dbraw/zinc/11/02/85/949110285.db2.gz WLFDYHSRDKSQFN-BDAKNGLRSA-N -1 0 326.857 3.603 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)CC/C=C/c2ccccc2)Cc2ccccc21 ZINC000375038543 971561788 /nfs/dbraw/zinc/56/17/88/971561788.db2.gz LHFCTOXKGRQFIV-OFCRBKOVSA-N -1 0 335.403 3.691 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)N1CCC[C@@]1(C)Cc1ccc(C(C)(C)C)cc1 ZINC001602796753 971563286 /nfs/dbraw/zinc/56/32/86/971563286.db2.gz FOINZFNOEFMESZ-XOBRGWDASA-N -1 0 331.456 3.628 20 0 EHADRM O=C([O-])c1ccc(C(=O)OCc2c(Cl)ccc(F)c2Cl)nc1 ZINC001595224312 949278018 /nfs/dbraw/zinc/27/80/18/949278018.db2.gz ZCRUAFAXUQCQOM-UHFFFAOYSA-N -1 0 344.125 3.583 20 0 EHADRM CCC1(CC)CN(C(=O)NCC2(C(=O)[O-])CCC2)c2ccccc21 ZINC001589612086 949330458 /nfs/dbraw/zinc/33/04/58/949330458.db2.gz DHKHIAWTOZLIQP-UHFFFAOYSA-N -1 0 330.428 3.529 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2cc3sccc3nc2Cl)cc1 ZINC001595227822 949331420 /nfs/dbraw/zinc/33/14/20/949331420.db2.gz FCMIGJAPEAJKEP-UHFFFAOYSA-N -1 0 346.795 3.578 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2ccccc2Br)cc1 ZINC001595233644 949375196 /nfs/dbraw/zinc/37/51/96/949375196.db2.gz HKAJYEDETJIZLO-UHFFFAOYSA-N -1 0 335.153 3.504 20 0 EHADRM CC[C@@H]1CCCCCN1C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001589621041 949411672 /nfs/dbraw/zinc/41/16/72/949411672.db2.gz HAJMLRNJARBCFU-COXVUDFISA-N -1 0 330.428 3.664 20 0 EHADRM Cc1ccc(C[N@@H+]2CCCC[C@H]2CC(=O)[O-])c(Br)c1 ZINC000164332761 949413236 /nfs/dbraw/zinc/41/32/36/949413236.db2.gz XCLPWSVHWKWORJ-ZDUSSCGKSA-N -1 0 326.234 3.587 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3)cc2)C1 ZINC000178260980 949487716 /nfs/dbraw/zinc/48/77/16/949487716.db2.gz CDYQVRQRUMLHIC-CYBMUJFWSA-N -1 0 345.782 3.679 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccc(F)cc1F ZINC000191206982 949506797 /nfs/dbraw/zinc/50/67/97/949506797.db2.gz WRXACOVXJFVXMY-CHWSQXEVSA-N -1 0 339.382 3.562 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N2CC(c3ccc(Cl)cc3)C2)c1 ZINC001595248931 949533280 /nfs/dbraw/zinc/53/32/80/949533280.db2.gz RDEJYNRTXULFPY-UHFFFAOYSA-N -1 0 330.771 3.670 20 0 EHADRM CCC[C@@H](Cc1ccccc1)NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001589632560 949568511 /nfs/dbraw/zinc/56/85/11/949568511.db2.gz WAURHYBZSQPVJT-SFHVURJKSA-N -1 0 340.423 3.595 20 0 EHADRM CCC[C@]1(C)CCCN(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)C1 ZINC001589635092 949606677 /nfs/dbraw/zinc/60/66/77/949606677.db2.gz BPMNQWGNIOFOFL-WOJBJXKFSA-N -1 0 346.471 3.641 20 0 EHADRM CCCC[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(OC)cc1 ZINC001589639611 949666045 /nfs/dbraw/zinc/66/60/45/949666045.db2.gz FJUWDPSFUSEFKX-ZMSDIMECSA-N -1 0 333.428 3.544 20 0 EHADRM CCCCC[C@H](NC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)C(C)(C)C ZINC001589642529 949711132 /nfs/dbraw/zinc/71/11/32/949711132.db2.gz XRTIUWXDHZOIAY-KFWWJZLASA-N -1 0 326.481 3.734 20 0 EHADRM Cc1c(Br)cccc1NC(=O)NC(C)(C)CCC(=O)[O-] ZINC000232217635 949766505 /nfs/dbraw/zinc/76/65/05/949766505.db2.gz ICJDXRJYHSQSGS-UHFFFAOYSA-N -1 0 343.221 3.522 20 0 EHADRM CCCCOCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](CC)C2 ZINC001589652444 949784687 /nfs/dbraw/zinc/78/46/87/949784687.db2.gz BLUORIOCXKNJGZ-NSHDSACASA-N -1 0 339.457 3.716 20 0 EHADRM CCC(CC)(CNC(=O)C[C@@H](c1ccccc1)C(F)(F)F)C(=O)[O-] ZINC000236844463 949939469 /nfs/dbraw/zinc/93/94/69/949939469.db2.gz MHANKGJCYUEADA-ZDUSSCGKSA-N -1 0 345.361 3.730 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Oc2cc(Br)ccc2Cl)C1 ZINC001595278005 949945396 /nfs/dbraw/zinc/94/53/96/949945396.db2.gz XFFKCOYAJAMFMY-SFYZADRCSA-N -1 0 347.592 3.509 20 0 EHADRM Cc1ccc(-c2cc(C(=O)N[C@H](C)C(=O)[O-])c3ccccc3n2)c(C)c1 ZINC000237328965 949956984 /nfs/dbraw/zinc/95/69/84/949956984.db2.gz ARHGVMTYZXXFLP-CQSZACIVSA-N -1 0 348.402 3.722 20 0 EHADRM Cc1ccc(SC2(C(=O)N(C)C[C@@H](C)C(=O)[O-])CCCC2)cc1 ZINC000237540961 949965740 /nfs/dbraw/zinc/96/57/40/949965740.db2.gz VZMZQWKVCIRBRY-CQSZACIVSA-N -1 0 335.469 3.579 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000237500832 949965833 /nfs/dbraw/zinc/96/58/33/949965833.db2.gz CILWULIFYLUROK-PBHICJAKSA-N -1 0 335.419 3.640 20 0 EHADRM C[C@@H](CC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccccc1C(F)(F)F ZINC000237544531 949966361 /nfs/dbraw/zinc/96/63/61/949966361.db2.gz JEPAIOFVQBCLOX-TUAOUCFPSA-N -1 0 343.345 3.569 20 0 EHADRM CCCN(Cc1ccc(F)cc1F)C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001589674433 949977706 /nfs/dbraw/zinc/97/77/06/949977706.db2.gz VXORYJKGEMODCG-WAYWQWQTSA-N -1 0 349.333 3.708 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)CCCc2ccc(Cl)c(Cl)c2)C1 ZINC000237958189 949984189 /nfs/dbraw/zinc/98/41/89/949984189.db2.gz QMWXMPCHVUXRQH-NEPJUHHUSA-N -1 0 344.238 3.686 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)Cc1ccccc1C(=O)[O-] ZINC000262130071 950069460 /nfs/dbraw/zinc/06/94/60/950069460.db2.gz KRIDDNDMVITHSO-GOSISDBHSA-N -1 0 339.435 3.715 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CCCCC[C@H]1c1ccco1 ZINC000262229165 950089612 /nfs/dbraw/zinc/08/96/12/950089612.db2.gz SCJQQBKBJBHIHD-INIZCTEOSA-N -1 0 327.380 3.664 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000262224127 950089637 /nfs/dbraw/zinc/08/96/37/950089637.db2.gz UVKILGRGFVPRKY-KFWWJZLASA-N -1 0 349.839 3.718 20 0 EHADRM CC(C)(CC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000262271938 950100061 /nfs/dbraw/zinc/10/00/61/950100061.db2.gz YFDUPEZNRQPOGZ-SFHVURJKSA-N -1 0 337.419 3.565 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)c1ccc(-c2ccccc2Cl)o1)C1CC1 ZINC000262397202 950118056 /nfs/dbraw/zinc/11/80/56/950118056.db2.gz GTUHTONXOGQORC-JTQLQIEISA-N -1 0 333.771 3.678 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)Nc3cc(C(=O)[O-])ccn3)cc2)cc1 ZINC001595295349 950120511 /nfs/dbraw/zinc/12/05/11/950120511.db2.gz GIITUJRKRCGFAQ-UHFFFAOYSA-N -1 0 346.342 3.512 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000262921910 950189892 /nfs/dbraw/zinc/18/98/92/950189892.db2.gz OAHCSZQATCQTCU-RISCZKNCSA-N -1 0 344.238 3.686 20 0 EHADRM CCN(C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)[C@@H](C)C(=O)[O-] ZINC001589698292 950200618 /nfs/dbraw/zinc/20/06/18/950200618.db2.gz ANRHIDWNHXVNOZ-IYNCYZAOSA-N -1 0 349.736 3.694 20 0 EHADRM Cc1cc(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)ccc1C(F)(F)F ZINC000263040425 950227384 /nfs/dbraw/zinc/22/73/84/950227384.db2.gz CFUSDKPHVOCJMY-GXSJLCMTSA-N -1 0 344.333 3.588 20 0 EHADRM C[C@H](NC(=O)N(C)CCC(=O)[O-])c1ccc(Cl)c2ccccc21 ZINC000263215401 950330187 /nfs/dbraw/zinc/33/01/87/950330187.db2.gz JIKUKODKRBGQQA-NSHDSACASA-N -1 0 334.803 3.670 20 0 EHADRM Cc1ccc(C)c(C(=O)CCC(=O)N2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000263264409 950346095 /nfs/dbraw/zinc/34/60/95/950346095.db2.gz KMUXHRVLAJIDLQ-INIZCTEOSA-N -1 0 345.439 3.512 20 0 EHADRM C[C@@H](NC(=O)CCCCC(=O)[O-])c1ccc(-c2ccncc2)cc1 ZINC000263332401 950376155 /nfs/dbraw/zinc/37/61/55/950376155.db2.gz VGJYHOIZMBWJAL-CQSZACIVSA-N -1 0 326.396 3.571 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCC[C@]1(C)C(=O)[O-] ZINC000263432757 950460483 /nfs/dbraw/zinc/46/04/83/950460483.db2.gz KZVZZWNPHCLLJK-QLJPJBMISA-N -1 0 344.238 3.638 20 0 EHADRM O=C([O-])CCCNC(=O)N1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000263470750 950479755 /nfs/dbraw/zinc/47/97/55/950479755.db2.gz LFZAZAMWZCYOCK-QGZVFWFLSA-N -1 0 330.428 3.568 20 0 EHADRM CCN(Cc1cccc(Cl)c1)C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001589736781 950545941 /nfs/dbraw/zinc/54/59/41/950545941.db2.gz NWOQZHWSGAYHEY-VOTSOKGWSA-N -1 0 333.771 3.693 20 0 EHADRM O=C([O-])CC1(C(=O)Nc2ccc(Br)c(Cl)c2)CCC1 ZINC001594976637 950923135 /nfs/dbraw/zinc/92/31/35/950923135.db2.gz AKQAHSMOBGKUDL-UHFFFAOYSA-N -1 0 346.608 3.686 20 0 EHADRM Cc1nc(Cl)c(Cl)cc1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000319280460 950954203 /nfs/dbraw/zinc/95/42/03/950954203.db2.gz FJQFSAMUVUKAJH-UHFFFAOYSA-N -1 0 339.178 3.576 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccc(SC(F)(F)F)cc2)C1 ZINC000319814149 950968390 /nfs/dbraw/zinc/96/83/90/950968390.db2.gz JKVIWOLBTBDQHF-DTWKUNHWSA-N -1 0 333.331 3.738 20 0 EHADRM CCC1CCC(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1 ZINC000321533497 951017742 /nfs/dbraw/zinc/01/77/42/951017742.db2.gz PPKWNYQSUQVYAB-GPANFISMSA-N -1 0 326.481 3.639 20 0 EHADRM C[C@H](CN(C)C(=O)Nc1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC000324611760 951072521 /nfs/dbraw/zinc/07/25/21/951072521.db2.gz OQQGPBSHQPTWMK-CYBMUJFWSA-N -1 0 328.368 3.663 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2cc(Cl)c3ccccc3n2)c1 ZINC000324751102 951074152 /nfs/dbraw/zinc/07/41/52/951074152.db2.gz PJXQZAVFTGDOGB-UHFFFAOYSA-N -1 0 340.766 3.516 20 0 EHADRM CC(C)C[C@H](CNC(=O)Cc1cccc(C(F)(F)F)c1)CC(=O)[O-] ZINC000325158029 951082403 /nfs/dbraw/zinc/08/24/03/951082403.db2.gz ABCMKWREWXOJGS-ZDUSSCGKSA-N -1 0 345.361 3.501 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)NCCc2ccc(Cl)cc2)c1 ZINC000325361750 951083152 /nfs/dbraw/zinc/08/31/52/951083152.db2.gz HSHZXGJWTGOGGL-UHFFFAOYSA-N -1 0 346.814 3.721 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc(Cl)nc3ccccc32)C1 ZINC000326205226 951096974 /nfs/dbraw/zinc/09/69/74/951096974.db2.gz OQGMXRKVKKVCCL-GOSISDBHSA-N -1 0 346.814 3.605 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)c1cccc(OC(F)F)c1 ZINC000326765417 951104065 /nfs/dbraw/zinc/10/40/65/951104065.db2.gz PIRUAZOCOBQKHT-UHFFFAOYSA-N -1 0 347.317 3.579 20 0 EHADRM Cc1cc([N+](=O)[O-])ccc1NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000326964478 951107345 /nfs/dbraw/zinc/10/73/45/951107345.db2.gz NTKQWBCYITYRGW-UHFFFAOYSA-N -1 0 343.339 3.564 20 0 EHADRM Cc1c2ccccc2oc1C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000327546392 951115774 /nfs/dbraw/zinc/11/57/74/951115774.db2.gz RTGVUQHKBRJLPW-INIZCTEOSA-N -1 0 335.359 3.565 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)N[C@H](C(C)(C)C)C(F)(F)F)C(=O)[O-] ZINC001602861192 971718578 /nfs/dbraw/zinc/71/85/78/971718578.db2.gz MFGNVUGYVAKMLH-GXSJLCMTSA-N -1 0 340.386 3.542 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)c2cc(F)cc(F)c2)CC1 ZINC000364842380 951139668 /nfs/dbraw/zinc/13/96/68/951139668.db2.gz IXNABQFEAAOJMW-UHFFFAOYSA-N -1 0 345.345 3.683 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)NC[C@H]1CCCCC(F)(F)C1 ZINC001595010988 951241739 /nfs/dbraw/zinc/24/17/39/951241739.db2.gz DPUXCFCTKREBLU-KBPBESRZSA-N -1 0 346.418 3.631 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)Nc2cccc(-n3cccc3)c2)C1 ZINC001595016758 951291930 /nfs/dbraw/zinc/29/19/30/951291930.db2.gz VRBCRKRZLCRPBI-HNNXBMFYSA-N -1 0 341.411 3.586 20 0 EHADRM CCOc1ccc(C2=CCN(C(=O)C(CC)(CC)C(=O)[O-])CC2)cc1 ZINC001592426693 951332734 /nfs/dbraw/zinc/33/27/34/951332734.db2.gz ZDOCZGNIJYIONJ-UHFFFAOYSA-N -1 0 345.439 3.592 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2nc(C(C)(C)C)cs2)C1 ZINC000389982191 951365796 /nfs/dbraw/zinc/36/57/96/951365796.db2.gz YDRKJGBOEKRBDY-INIZCTEOSA-N -1 0 339.461 3.549 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)CSCc1ccc(F)cc1 ZINC000390268178 951373467 /nfs/dbraw/zinc/37/34/67/951373467.db2.gz JRCLTEQVUSMQFR-UHFFFAOYSA-N -1 0 333.384 3.704 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC001595034559 951389287 /nfs/dbraw/zinc/38/92/87/951389287.db2.gz BVEUPJCNFXWAIN-UHFFFAOYSA-N -1 0 340.351 3.672 20 0 EHADRM CC(C)c1ccc(CNC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000392056567 951411150 /nfs/dbraw/zinc/41/11/50/951411150.db2.gz YDIXYZXUVGUMRT-KRWDZBQOSA-N -1 0 332.444 3.739 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(Cc2cccc(Br)c2F)C1 ZINC000394795832 951456872 /nfs/dbraw/zinc/45/68/72/951456872.db2.gz ZKPCNUZXZSRHJW-NSHDSACASA-N -1 0 344.224 3.665 20 0 EHADRM O=C([O-])CCc1nc(C2(c3cccc(C(F)(F)F)c3)CCC2)no1 ZINC001595066458 951551965 /nfs/dbraw/zinc/55/19/65/951551965.db2.gz LFELPKZZXDOWBG-UHFFFAOYSA-N -1 0 340.301 3.576 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC[C@H]1CCCCC1(F)F ZINC000381643077 971767822 /nfs/dbraw/zinc/76/78/22/971767822.db2.gz XGKSMWDHPIRYJT-STMXVASLSA-N -1 0 326.339 3.997 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCCCC[C@H]1/C=C\c1ccccc1 ZINC001595173282 952229128 /nfs/dbraw/zinc/22/91/28/952229128.db2.gz VKVHNVBWJJZKCU-UAMWIQKBSA-N -1 0 327.424 3.582 20 0 EHADRM O=C([O-])c1c(-c2ccsc2)csc1NC(=O)[C@@H]1C[C@]12CCOC2 ZINC001595207034 952335462 /nfs/dbraw/zinc/33/54/62/952335462.db2.gz RJVPNGHYDAENMZ-ZBEGNZNMSA-N -1 0 349.433 3.540 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CCCCC[C@H]2c2ccco2)ccn1 ZINC001595208086 952346450 /nfs/dbraw/zinc/34/64/50/952346450.db2.gz ASTWWMILJVWELN-AWEZNQCLSA-N -1 0 329.356 3.522 20 0 EHADRM O=C([O-])c1ccc(-c2nc(-c3ccsc3C(F)(F)F)no2)cn1 ZINC001595214207 952365850 /nfs/dbraw/zinc/36/58/50/952365850.db2.gz CXRYTIVEQLXUEV-UHFFFAOYSA-N -1 0 341.270 3.577 20 0 EHADRM CC(C)(C)c1ccc(CSCC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC001602922994 971883473 /nfs/dbraw/zinc/88/34/73/971883473.db2.gz MAEMPEFUUHQHIZ-OAHLLOKOSA-N -1 0 349.496 3.541 20 0 EHADRM O=C([O-])CCCCCNC(=O)NC[C@@H]1CCC[C@H]1c1ccccc1 ZINC000414607704 953396981 /nfs/dbraw/zinc/39/69/81/953396981.db2.gz IAZQEBWUBBOEHG-IRXDYDNUSA-N -1 0 332.444 3.515 20 0 EHADRM CCS[C@@H]1CCC[C@@H](NC(=O)C2(C(=O)[O-])CCCCCC2)C1 ZINC001593599416 953401517 /nfs/dbraw/zinc/40/15/17/953401517.db2.gz ZNWXMXZBIQVDPR-ZIAGYGMSSA-N -1 0 327.490 3.592 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)/C=C\c2ccc(C(C)(C)C)cc2)C1 ZINC001589269426 953403156 /nfs/dbraw/zinc/40/31/56/953403156.db2.gz VGZWDLUZMXEFCI-BNGMYCFISA-N -1 0 329.440 3.567 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NC2CCC3(CCCCC3)CC2)C1 ZINC001589273862 953438925 /nfs/dbraw/zinc/43/89/25/953438925.db2.gz GKBYEEXHMHNFND-HUUCEWRRSA-N -1 0 336.476 3.632 20 0 EHADRM CCC(CC)(CNC(=O)NCc1csc2ccccc12)C(=O)[O-] ZINC000424395454 953459849 /nfs/dbraw/zinc/45/98/49/953459849.db2.gz OWLQTTGQHNKKEX-UHFFFAOYSA-N -1 0 334.441 3.592 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])CC1 ZINC000431455995 953500255 /nfs/dbraw/zinc/50/02/55/953500255.db2.gz HQJHCWNHROUEJP-QGPMSJSTSA-N -1 0 329.440 3.659 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)c1c[nH]cc1-c1ccccc1)C(=O)[O-] ZINC000449134990 953510922 /nfs/dbraw/zinc/51/09/22/953510922.db2.gz MQOAPHOWJWROHM-MRXNPFEDSA-N -1 0 328.412 3.691 20 0 EHADRM Cc1onc(-c2ccccc2)c1C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC000449133480 953511215 /nfs/dbraw/zinc/51/12/15/953511215.db2.gz DKESTTDVBIFWEL-CQSZACIVSA-N -1 0 344.411 3.659 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)C1(C)C ZINC001602958869 971937165 /nfs/dbraw/zinc/93/71/65/971937165.db2.gz CPWDDGLMVRKRCB-YLFCFFPRSA-N -1 0 327.424 3.654 20 0 EHADRM C[C@H]1C[C@H](CCNC(=O)c2cccc(OCC(=O)[O-])c2)CC(C)(C)C1 ZINC001589285640 953565866 /nfs/dbraw/zinc/56/58/66/953565866.db2.gz BKOBUZBSHBLNOB-GJZGRUSLSA-N -1 0 347.455 3.732 20 0 EHADRM CCc1c(NC(=O)Cc2ccccc2C(=O)[O-])cnn1C(CC)CC ZINC001593627661 953567187 /nfs/dbraw/zinc/56/71/87/953567187.db2.gz RDTRGDUBHNQLCF-UHFFFAOYSA-N -1 0 343.427 3.686 20 0 EHADRM CCc1c(C(=O)Nc2sccc2C(=O)[O-])cnn1CCC(C)C ZINC001593627676 953567440 /nfs/dbraw/zinc/56/74/40/953567440.db2.gz TVEQEFGPYOHHQI-UHFFFAOYSA-N -1 0 335.429 3.504 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC001594772228 953573345 /nfs/dbraw/zinc/57/33/45/953573345.db2.gz ZNBUBRRMKAAJEM-MRXNPFEDSA-N -1 0 344.798 3.525 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccccc2Nc2ccccc2)C[C@H]1C(=O)[O-] ZINC000563144943 953596367 /nfs/dbraw/zinc/59/63/67/953596367.db2.gz YUQNHHOBDJFCJQ-RHSMWYFYSA-N -1 0 338.407 3.613 20 0 EHADRM CCc1ccc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])cc1CC ZINC001593635350 953607645 /nfs/dbraw/zinc/60/76/45/953607645.db2.gz MUMYHNVMSPIGQA-LJQANCHMSA-N -1 0 337.419 3.636 20 0 EHADRM O=C([O-])CC1(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCC1 ZINC000564977824 953609379 /nfs/dbraw/zinc/60/93/79/953609379.db2.gz IFNAAUWXMDHMSY-UHFFFAOYSA-N -1 0 333.718 3.525 20 0 EHADRM CCc1ccc(CN(CC(C)C)C(=O)[C@]2(C(=O)[O-])CC2(C)C)cc1 ZINC001593637939 953624127 /nfs/dbraw/zinc/62/41/27/953624127.db2.gz VMYDTRWQUTUVFG-FQEVSTJZSA-N -1 0 331.456 3.735 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C[C@@H](c2ccccc2)C1 ZINC001589293707 953624412 /nfs/dbraw/zinc/62/44/12/953624412.db2.gz QUEBNLSVTMQGEN-SRVCANOKSA-N -1 0 344.455 3.511 20 0 EHADRM Cc1cccc2cc(C(=O)NC[C@@](C)(C(=O)[O-])c3ccccc3)oc21 ZINC000566408927 953625793 /nfs/dbraw/zinc/62/57/93/953625793.db2.gz QBULZXLTJBAVIA-HXUWFJFHSA-N -1 0 337.375 3.514 20 0 EHADRM CCc1ccc(NC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)cc1C ZINC001593638900 953632067 /nfs/dbraw/zinc/63/20/67/953632067.db2.gz OBKPTIXFCNOBFI-FQEVSTJZSA-N -1 0 340.423 3.721 20 0 EHADRM CC(C)c1nc2cc(NC(=O)N3C[C@H](C)C[C@@H](C(=O)[O-])C3)ccc2o1 ZINC000571669178 953663200 /nfs/dbraw/zinc/66/32/00/953663200.db2.gz HMAOPVPAELTVAR-VXGBXAGGSA-N -1 0 345.399 3.526 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC001589303333 953710954 /nfs/dbraw/zinc/71/09/54/953710954.db2.gz GFBIAIKATLXXIP-HNAYVOBHSA-N -1 0 337.419 3.608 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)Nc2ccc3cc[nH]c3c2)c2ccccc21 ZINC001594806321 953781593 /nfs/dbraw/zinc/78/15/93/953781593.db2.gz GAFUSABNZOUYLY-DOTOQJQBSA-N -1 0 335.363 3.603 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)c1 ZINC001594809105 953800659 /nfs/dbraw/zinc/80/06/59/953800659.db2.gz NBXDNTDZZCAAKA-DZGCQCFKSA-N -1 0 330.771 3.716 20 0 EHADRM Cc1cccc([C@@H](NC(=O)N2CCC(C)(C(=O)[O-])CC2)C(C)C)c1 ZINC000626776681 953820222 /nfs/dbraw/zinc/82/02/22/953820222.db2.gz ARQAYTUFERNPQD-INIZCTEOSA-N -1 0 332.444 3.588 20 0 EHADRM O=C([O-])CCCCC(=O)NC[C@@]1(Cc2ccccc2)C=CCCC1 ZINC000630314368 953853249 /nfs/dbraw/zinc/85/32/49/953853249.db2.gz RFGGDPKQNULRSI-FQEVSTJZSA-N -1 0 329.440 3.717 20 0 EHADRM O=C([O-])c1cncc(NC(=O)NC2(c3cccc(Cl)c3)CCC2)c1 ZINC001594816212 953863016 /nfs/dbraw/zinc/86/30/16/953863016.db2.gz HNIXBRYGMWTSIJ-UHFFFAOYSA-N -1 0 345.786 3.634 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)C(=O)c1cc(Cl)cc(Cl)c1 ZINC001594822194 953909692 /nfs/dbraw/zinc/90/96/92/953909692.db2.gz ONLBHKPIEQEUBG-UHFFFAOYSA-N -1 0 344.175 3.575 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1cc(Br)cs1 ZINC001594822216 953909805 /nfs/dbraw/zinc/90/98/05/953909805.db2.gz PSPDYVDDNMHZDY-UHFFFAOYSA-N -1 0 332.200 3.523 20 0 EHADRM CCCCN(CC)c1ccc(C(=O)N2CCC(C)(C(=O)[O-])CC2)cc1 ZINC000647762170 953977210 /nfs/dbraw/zinc/97/72/10/953977210.db2.gz NYICXZGAKKWOSB-UHFFFAOYSA-N -1 0 346.471 3.640 20 0 EHADRM Cc1nc(CN(CC(=O)[O-])CC2CC2)oc1-c1ccc(Cl)cc1 ZINC000650510278 954022969 /nfs/dbraw/zinc/02/29/69/954022969.db2.gz VEEBWFACLSZMCS-UHFFFAOYSA-N -1 0 334.803 3.600 20 0 EHADRM C[C@@H]1CCN(C(=O)NCc2cccc(C(=O)[O-])c2)[C@@H]1c1ccccc1 ZINC001589343887 954035203 /nfs/dbraw/zinc/03/52/03/954035203.db2.gz JTRDOWFEFMWBSR-KDOFPFPSSA-N -1 0 338.407 3.678 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1nc(-c2ccccc2)cs1)C1CCCC1 ZINC001594837453 954037936 /nfs/dbraw/zinc/03/79/36/954037936.db2.gz KRRUCZRMKIXNLU-AWEZNQCLSA-N -1 0 330.409 3.640 20 0 EHADRM O=C([O-])[C@H](Sc1nc2c(n1-c1ccccc1)CCCC2)C1CC1 ZINC001594843177 954099855 /nfs/dbraw/zinc/09/98/55/954099855.db2.gz JBAKLNQJKOAMJP-MRXNPFEDSA-N -1 0 328.437 3.706 20 0 EHADRM C[C@@H](NC(=O)[C@@]1(C(=O)[O-])CC=CCC1)c1cccc(C(F)(F)F)c1 ZINC000653296971 954106149 /nfs/dbraw/zinc/10/61/49/954106149.db2.gz FTUDEJFINIHEBZ-BDJLRTHQSA-N -1 0 341.329 3.694 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC=CCC1 ZINC000653297913 954107281 /nfs/dbraw/zinc/10/72/81/954107281.db2.gz IRJCONZMPKYBMN-AWEZNQCLSA-N -1 0 331.265 3.594 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)C[C@H](C)c1ccccc1C(F)(F)F ZINC000653341809 954175608 /nfs/dbraw/zinc/17/56/08/954175608.db2.gz MOYBODMARNVUPL-GWCFXTLKSA-N -1 0 331.334 3.521 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)NCc3ccccc3C(=O)[O-])cc2C1 ZINC001589365661 954189527 /nfs/dbraw/zinc/18/95/27/954189527.db2.gz UTSBRQGSRYGEPD-LLVKDONJSA-N -1 0 329.421 3.501 20 0 EHADRM CC(C)[C@H](CNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)C(=O)[O-] ZINC000655565170 954204581 /nfs/dbraw/zinc/20/45/81/954204581.db2.gz KDKIGOBFIYPCNS-JTQLQIEISA-N -1 0 343.210 3.561 20 0 EHADRM CC(C)[C@H](CNC(=O)c1occc1CSc1ccccc1)C(=O)[O-] ZINC000655575100 954212619 /nfs/dbraw/zinc/21/26/19/954212619.db2.gz ZGFMKYDBICOVFG-HNNXBMFYSA-N -1 0 347.436 3.659 20 0 EHADRM Cc1cc(C)cc(C2(C(=O)N[C@@H](C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)CC2)c1 ZINC000655586135 954228453 /nfs/dbraw/zinc/22/84/53/954228453.db2.gz MHCHXPMFRLWVER-BHYGNILZSA-N -1 0 343.467 3.587 20 0 EHADRM CN(CC(=O)[O-])C(=O)c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC001593721049 954252344 /nfs/dbraw/zinc/25/23/44/954252344.db2.gz JJDXTKUGJWCJNG-UHFFFAOYSA-N -1 0 335.812 3.648 20 0 EHADRM C[C@H](CNC(=O)N(Cc1ccccc1)[C@H](C)c1ccccc1)C(=O)[O-] ZINC000655880550 954265147 /nfs/dbraw/zinc/26/51/47/954265147.db2.gz BPBIAEFLBQDOLV-HZPDHXFCSA-N -1 0 340.423 3.680 20 0 EHADRM Cc1cccc(C(C)(C)NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000655904185 954286784 /nfs/dbraw/zinc/28/67/84/954286784.db2.gz IEVZENYKQWXKBL-VNQPRFMTSA-N -1 0 346.471 3.665 20 0 EHADRM CC(C)[C@H](CNC(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1)C(=O)[O-] ZINC001602982789 972001741 /nfs/dbraw/zinc/00/17/41/972001741.db2.gz CYFRCQCXBPKGQD-AWEZNQCLSA-N -1 0 330.428 3.552 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)C=CCCC3)C[C@@H]1C(=O)[O-] ZINC000656605309 954304135 /nfs/dbraw/zinc/30/41/35/954304135.db2.gz RUCGCRUBHGUTEZ-DYVFJYSZSA-N -1 0 328.412 3.611 20 0 EHADRM COc1ccc([C@@H]2CCCN2C(=O)c2cccc(C(=O)[O-])c2)cc1F ZINC000659193490 954312111 /nfs/dbraw/zinc/31/21/11/954312111.db2.gz UUHQQTOCNBYENQ-INIZCTEOSA-N -1 0 343.354 3.510 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1coc(/C=C/C(=O)[O-])c1)c1ccccc1 ZINC001602983141 972003743 /nfs/dbraw/zinc/00/37/43/972003743.db2.gz HYGKGDJGOGJLPV-KBOKABMXSA-N -1 0 327.380 3.547 20 0 EHADRM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)NCC2(C(=O)[O-])CCC2)cc1 ZINC000659420370 954344784 /nfs/dbraw/zinc/34/47/84/954344784.db2.gz NFGSMXQNSTWQDC-SJORKVTESA-N -1 0 344.455 3.527 20 0 EHADRM CC[C@@H](C)Oc1ccc(NC(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000659752336 954351751 /nfs/dbraw/zinc/35/17/51/954351751.db2.gz FHLXNVWABCTCBB-CYBMUJFWSA-N -1 0 343.379 3.580 20 0 EHADRM O=C([O-])COc1ccc(C(=O)N2CCCC3(CCCCC3)CC2)cc1 ZINC000659758663 954360382 /nfs/dbraw/zinc/36/03/82/954360382.db2.gz GVEULPQJVIVSMP-UHFFFAOYSA-N -1 0 345.439 3.727 20 0 EHADRM O=C([O-])C1(C(=O)Nc2nc(C(F)(F)F)cs2)CCCCCC1 ZINC001594872382 954365529 /nfs/dbraw/zinc/36/55/29/954365529.db2.gz RZGPTIIFVKLCND-UHFFFAOYSA-N -1 0 336.335 3.526 20 0 EHADRM CCN(C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1)[C@@H](C)C(=O)[O-] ZINC000659770605 954367792 /nfs/dbraw/zinc/36/77/92/954367792.db2.gz FYHPLFZETVCBGW-MNOVXSKESA-N -1 0 331.334 3.521 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2cccc3c(Cl)nccc23)CC=CCC1 ZINC001594877754 954392193 /nfs/dbraw/zinc/39/21/93/954392193.db2.gz LLOAPVQFNAJDCD-QGZVFWFLSA-N -1 0 330.771 3.638 20 0 EHADRM Cc1c(NC(=O)C2(C(=O)[O-])CCCCCC2)cnn1C1CCCC1 ZINC000663048162 954419835 /nfs/dbraw/zinc/41/98/35/954419835.db2.gz HVVRMTWNNQKVTP-UHFFFAOYSA-N -1 0 333.432 3.670 20 0 EHADRM C[C@H]1C[C@H]1[C@H]1C[C@H]1C(=O)Nc1sc2c(c1C(=O)[O-])C[C@@H](C)O[C@H]2C ZINC001589412222 954526476 /nfs/dbraw/zinc/52/64/76/954526476.db2.gz XILBQCOPHADTQO-NCKSRDSBSA-N -1 0 349.452 3.699 20 0 EHADRM C[C@@H]1C[C@H]1[C@H]1C[C@H]1C(=O)Nc1sc2c(c1C(=O)[O-])C[C@@H](C)O[C@H]2C ZINC001589412221 954526717 /nfs/dbraw/zinc/52/67/17/954526717.db2.gz XILBQCOPHADTQO-KCUSNBPKSA-N -1 0 349.452 3.699 20 0 EHADRM CC/C(=C\C(=O)NC[C@H](CC(=O)[O-])CC(C)C)c1ccc(OC)cc1 ZINC001589420499 954597672 /nfs/dbraw/zinc/59/76/72/954597672.db2.gz UNRCZMDZNGIPFL-DLEKYWELSA-N -1 0 347.455 3.742 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000683322349 954605289 /nfs/dbraw/zinc/60/52/89/954605289.db2.gz NAOWIYVRYBPLDH-ZDUSSCGKSA-N -1 0 337.847 3.622 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2C2CCCC2)c2ccccc21 ZINC001594899872 954616037 /nfs/dbraw/zinc/61/60/37/954616037.db2.gz HNECATZIRDXMMC-FGTMMUONSA-N -1 0 342.439 3.664 20 0 EHADRM O=C([O-])CC1(NC(=O)/C=C\c2cc(Cl)cc(Cl)c2)CCCC1 ZINC000386251259 972038692 /nfs/dbraw/zinc/03/86/92/972038692.db2.gz KCPWJFDMPFKZPH-ARJAWSKDSA-N -1 0 342.222 3.910 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)c2ccccc21 ZINC001594925984 954817377 /nfs/dbraw/zinc/81/73/77/954817377.db2.gz YHOHZAHZPFPZLI-CQSZACIVSA-N -1 0 338.338 3.526 20 0 EHADRM CC[C@H](C)[C@@H]1CCCCN1C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001589456927 954836155 /nfs/dbraw/zinc/83/61/55/954836155.db2.gz CTWRFXNAGXOULI-KNBMTAEXSA-N -1 0 346.471 3.639 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC001589463494 954873585 /nfs/dbraw/zinc/87/35/85/954873585.db2.gz DVQTWFMOAAJLAZ-QVYGWLQZSA-N -1 0 347.455 3.740 20 0 EHADRM CCC(CC)[C@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])COCC2 ZINC001589510755 955049400 /nfs/dbraw/zinc/04/94/00/955049400.db2.gz ZNLXPPYLZHPYII-VIFPVBQESA-N -1 0 325.430 3.530 20 0 EHADRM O=C([O-])c1cc(C(=O)Nc2ccccc2OCc2ccccc2)c[nH]1 ZINC000386581758 972066106 /nfs/dbraw/zinc/06/61/06/972066106.db2.gz AAHNEZHSDDOMEN-UHFFFAOYSA-N -1 0 336.347 3.544 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)NCC2(Cc3ccccc3)CCC2)co1 ZINC001594969309 955089744 /nfs/dbraw/zinc/08/97/44/955089744.db2.gz GPEYNMMDDMSQPV-BQYQJAHWSA-N -1 0 339.391 3.520 20 0 EHADRM CC[C@@H](CNC(=O)N1CCCC[C@H]1c1cccc(Cl)c1)C(=O)[O-] ZINC001589528366 955136966 /nfs/dbraw/zinc/13/69/66/955136966.db2.gz IRZSWWPAXXWWPT-WFASDCNBSA-N -1 0 338.835 3.687 20 0 EHADRM CC(C)CCOc1ccccc1CNC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001603024616 972084068 /nfs/dbraw/zinc/08/40/68/972084068.db2.gz ZNFJUCKMEPSBAL-SFHVURJKSA-N -1 0 347.455 3.619 20 0 EHADRM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000780657544 955341588 /nfs/dbraw/zinc/34/15/88/955341588.db2.gz IOMMMKVNMPQZGQ-RHSMWYFYSA-N -1 0 347.459 3.605 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CC[C@@H](C2CCCCC2)C1)CC(=O)[O-] ZINC001603042198 972104627 /nfs/dbraw/zinc/10/46/27/972104627.db2.gz AIKDRGLQOVEEMN-DOTOQJQBSA-N -1 0 338.492 3.735 20 0 EHADRM C[C@H](CSCc1ccccc1)C(=O)NCc1ccccc1C(=O)[O-] ZINC001589077384 955833812 /nfs/dbraw/zinc/83/38/12/955833812.db2.gz VOWGCJADUYWYMH-CQSZACIVSA-N -1 0 343.448 3.571 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)C1 ZINC000864110508 955939209 /nfs/dbraw/zinc/93/92/09/955939209.db2.gz SLWARFMNENGBKV-WAEYIKQSSA-N -1 0 339.391 3.571 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC000864119324 955947252 /nfs/dbraw/zinc/94/72/52/955947252.db2.gz AHNIFIPMPQRGER-HOTGVXAUSA-N -1 0 327.355 3.585 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)/C=C\c2ccc(C(=O)[O-])o2)C1 ZINC000864137957 955960471 /nfs/dbraw/zinc/96/04/71/955960471.db2.gz QRZNDFBWFUCMIB-WJEOVAELSA-N -1 0 343.354 3.740 20 0 EHADRM C[C@@H]1CN(C(=O)/C=C\c2ccc(F)c3ccccc23)CC[C@@H]1C(=O)[O-] ZINC000864139145 955961581 /nfs/dbraw/zinc/96/15/81/955961581.db2.gz DULBHJZDQONPSM-NQSJFCTJSA-N -1 0 341.382 3.561 20 0 EHADRM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000864157130 955972104 /nfs/dbraw/zinc/97/21/04/955972104.db2.gz ILHNHDUPTUFBDW-SLWQEBJJSA-N -1 0 343.379 3.609 20 0 EHADRM CC(C)OC1(CNC(=O)Nc2cccc(CC(=O)[O-])c2)CCCCC1 ZINC001603075421 972144829 /nfs/dbraw/zinc/14/48/29/972144829.db2.gz AVDXLBIYQJPXLZ-UHFFFAOYSA-N -1 0 348.443 3.563 20 0 EHADRM C[C@@H](NC(=O)c1ccc(F)c(C(F)F)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589117591 956104390 /nfs/dbraw/zinc/10/43/90/956104390.db2.gz NKFXZHKHCXSJSP-JFUSQASVSA-N -1 0 343.345 3.629 20 0 EHADRM C[C@@H](Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1)C(=O)[O-] ZINC001589137350 956238438 /nfs/dbraw/zinc/23/84/38/956238438.db2.gz XXZWBWHQGYWPIE-SECBINFHSA-N -1 0 336.750 3.616 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Nc1ccc(C2CCC2)cn1 ZINC000899313888 956285263 /nfs/dbraw/zinc/28/52/63/956285263.db2.gz SYYCPVKXPWNYLC-HNNXBMFYSA-N -1 0 331.416 3.600 20 0 EHADRM CCCn1ccc2cc(NC(=O)C3(C(=O)[O-])CCSCC3)ccc21 ZINC000901592968 956359711 /nfs/dbraw/zinc/35/97/11/956359711.db2.gz XDIGZTONTFOFRC-UHFFFAOYSA-N -1 0 346.452 3.588 20 0 EHADRM C[C@H](OCCCNC(=O)C1(C(=O)[O-])CCCCCC1)c1ccccc1 ZINC001589163334 956425119 /nfs/dbraw/zinc/42/51/19/956425119.db2.gz VZMPNKWJSYJTKK-INIZCTEOSA-N -1 0 347.455 3.696 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)c1coc(/C=C/C(=O)[O-])c1)C1CC1 ZINC000901800523 956479896 /nfs/dbraw/zinc/47/98/96/956479896.db2.gz ZJUFZMVRQJRWOA-GFOMBABLSA-N -1 0 325.364 3.567 20 0 EHADRM Cc1c(NC(=O)C2(C(=O)[O-])CCSCC2)cccc1C(F)(F)F ZINC000901809397 956484329 /nfs/dbraw/zinc/48/43/29/956484329.db2.gz DEAHQDYEJRFDNN-UHFFFAOYSA-N -1 0 347.358 3.550 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)N[C@H]2CCC[C@@H](c3ccccc3)CC2)C1 ZINC001589191771 956598852 /nfs/dbraw/zinc/59/88/52/956598852.db2.gz ZEJOWFNZVSVEAM-UWVAXJGDSA-N -1 0 344.455 3.609 20 0 EHADRM O=C(/C=C/Sc1ccccc1)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001594670931 956617171 /nfs/dbraw/zinc/61/71/71/956617171.db2.gz VKXUJYWTFDKGFI-XXFQCFAGSA-N -1 0 339.416 3.722 20 0 EHADRM O=C(/C=C\c1nc2ccccc2s1)Nc1sccc1C(=O)[O-] ZINC001594675939 956663268 /nfs/dbraw/zinc/66/32/68/956663268.db2.gz OCVDIQXUFYADHP-WAYWQWQTSA-N -1 0 330.390 3.708 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)/C=C/c2csc(C(F)(F)F)c2)c1 ZINC001594676138 956666372 /nfs/dbraw/zinc/66/63/72/956666372.db2.gz XTDLGVSLSQVRQD-OWOJBTEDSA-N -1 0 342.298 3.512 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCC(c2cccc(Cl)c2)CC1 ZINC001589211393 956691669 /nfs/dbraw/zinc/69/16/69/956691669.db2.gz KGNQYDVLHYIYHR-SFHVURJKSA-N -1 0 335.831 3.547 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NCc1ccc(Oc2ccccc2)cc1 ZINC001589217301 956732441 /nfs/dbraw/zinc/73/24/41/956732441.db2.gz HFUKZXYLRPWBJH-HXUWFJFHSA-N -1 0 339.391 3.596 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)O[C@H]1CCc2c1cccc2OCC1CC1 ZINC001589217672 956737967 /nfs/dbraw/zinc/73/79/67/956737967.db2.gz KVZJFIBTFYMODD-JXFKEZNVSA-N -1 0 344.407 3.507 20 0 EHADRM C[C@](CNC(=O)NC[C@H]1CCCC(C)(C)C1)(C(=O)[O-])c1ccccc1 ZINC001589224550 956784320 /nfs/dbraw/zinc/78/43/20/956784320.db2.gz MVHZMLQEHVYPGM-MGPUTAFESA-N -1 0 346.471 3.545 20 0 EHADRM O=C([O-])c1ccc(COC(=O)CSc2ccc3c(c2)CCC3)cc1 ZINC001594702924 956822830 /nfs/dbraw/zinc/82/28/30/956822830.db2.gz QBMUJAYFGHPYDB-UHFFFAOYSA-N -1 0 342.416 3.709 20 0 EHADRM C[C@H]1CN(c2ccc(NCc3ccc(C(=O)[O-])s3)cc2)C[C@H](C)O1 ZINC000903673710 956853198 /nfs/dbraw/zinc/85/31/98/956853198.db2.gz DZVMSZCBDLZMFW-STQMWFEESA-N -1 0 346.452 3.672 20 0 EHADRM O=C([O-])c1ccc(CNc2cccc(CN3CCCCC3=O)c2)s1 ZINC000903673707 956853297 /nfs/dbraw/zinc/85/32/97/956853297.db2.gz DXXWMSXDTNUAJB-UHFFFAOYSA-N -1 0 344.436 3.571 20 0 EHADRM Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000008491739 956885441 /nfs/dbraw/zinc/88/54/41/956885441.db2.gz BPRZFFDRPWUZAY-UHFFFAOYSA-N -1 0 327.380 3.834 20 0 EHADRM COc1ccc(CCCC(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000010777194 956889431 /nfs/dbraw/zinc/88/94/31/956889431.db2.gz IBFVIWWUTVGUAP-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM COc1ccc(C(=O)[O-])c(OCC(=O)Nc2ccccc2C(C)C)c1 ZINC000013084125 956934043 /nfs/dbraw/zinc/93/40/43/956934043.db2.gz TYABPHIUDMFKJN-UHFFFAOYSA-N -1 0 343.379 3.534 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2ccccc2s1)c1ccc(F)cc1 ZINC001594716593 956937102 /nfs/dbraw/zinc/93/71/02/956937102.db2.gz XYAFUEKXYRKSDL-OAHLLOKOSA-N -1 0 329.352 3.596 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(Br)cc2C(=O)[O-])c(C)o1 ZINC000013177905 956959689 /nfs/dbraw/zinc/95/96/89/956959689.db2.gz IXBHAYIFWUEAOF-UHFFFAOYSA-N -1 0 338.157 3.609 20 0 EHADRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1)c1ccccc1 ZINC000013179065 956962744 /nfs/dbraw/zinc/96/27/44/956962744.db2.gz QVMXNGPNELNEGA-MSOLQXFVSA-N -1 0 325.408 3.821 20 0 EHADRM CSc1ccccc1C(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1 ZINC000013180346 956965193 /nfs/dbraw/zinc/96/51/93/956965193.db2.gz NDYMMHFPRPOTJV-OAHLLOKOSA-N -1 0 329.421 3.663 20 0 EHADRM O=C([O-])c1cc(Br)ccc1NC(=O)c1ccc(F)cc1 ZINC000013188377 956973571 /nfs/dbraw/zinc/97/35/71/956973571.db2.gz DGVZPWJBIDJURP-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM O=C([O-])C1(NC(=O)c2ccc(C(F)F)c(F)c2)CCCCCC1 ZINC001594721612 956974990 /nfs/dbraw/zinc/97/49/90/956974990.db2.gz PKZRCAFKDSCHCS-UHFFFAOYSA-N -1 0 329.318 3.671 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)c2cc3occc3s2)c2ccccc21 ZINC001594726147 957004403 /nfs/dbraw/zinc/00/44/03/957004403.db2.gz IOTMHZOCYQMLQC-RYUDHWBXSA-N -1 0 327.361 3.537 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2c[nH]cc2-c2ccccc2)c2ccccc21 ZINC001594726780 957013080 /nfs/dbraw/zinc/01/30/80/957013080.db2.gz OEZNOBHSJCQIKI-VQIMIIECSA-N -1 0 346.386 3.725 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2ccc(-c3ccccc3)o2)CC1 ZINC000909437077 957018478 /nfs/dbraw/zinc/01/84/78/957018478.db2.gz XDVTYGJVZSCNMT-UHFFFAOYSA-N -1 0 327.380 3.664 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)CSc1ccc2ccccc2n1 ZINC000013352945 957035914 /nfs/dbraw/zinc/03/59/14/957035914.db2.gz UCYIEBBRHHJYQQ-UHFFFAOYSA-N -1 0 338.388 3.664 20 0 EHADRM O=C([O-])c1ccoc1CSc1nnc(-c2cccs2)n1C1CC1 ZINC000013402358 957050877 /nfs/dbraw/zinc/05/08/77/957050877.db2.gz MNBGUYCXVRKIQJ-UHFFFAOYSA-N -1 0 347.421 3.925 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)COc2ccc(C(=O)[O-])cc2)cc1 ZINC000013412154 957054745 /nfs/dbraw/zinc/05/47/45/957054745.db2.gz YZGBOLSJSZPALE-UHFFFAOYSA-N -1 0 327.380 3.700 20 0 EHADRM Cc1nn(C)c2sc(C(=O)Nc3cc(C(=O)[O-])ccc3Cl)cc12 ZINC000013426168 957066774 /nfs/dbraw/zinc/06/67/74/957066774.db2.gz BOVWLBJNRITSDD-UHFFFAOYSA-N -1 0 349.799 3.547 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)[C@@H]1COc2ccccc2C1 ZINC000013426634 957067518 /nfs/dbraw/zinc/06/75/18/957067518.db2.gz OCRHALVBGUWQAF-INIZCTEOSA-N -1 0 347.370 3.728 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)c1cccc2ccccc21 ZINC000013429129 957069670 /nfs/dbraw/zinc/06/96/70/957069670.db2.gz YKPWWAJTJBSQDI-UHFFFAOYSA-N -1 0 333.387 3.957 20 0 EHADRM C[C@@H]1CCc2c(C(=O)N(C)c3ccccc3C(=O)[O-])csc2C1 ZINC000013440951 957079049 /nfs/dbraw/zinc/07/90/49/957079049.db2.gz SRKYJOUTCXDZKG-LLVKDONJSA-N -1 0 329.421 3.848 20 0 EHADRM CC1(C)Cc2nc(CN(CC(=O)[O-])CC3CC3)sc2C(C)(C)C1 ZINC000923257597 957108583 /nfs/dbraw/zinc/10/85/83/957108583.db2.gz XXKWDCSRJGOXTG-UHFFFAOYSA-N -1 0 336.501 3.690 20 0 EHADRM Cc1oc2ccc(NC(=O)N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)cc2c1C ZINC000926098039 957143416 /nfs/dbraw/zinc/14/34/16/957143416.db2.gz WXTWVCABJVSPBV-JKSUJKDBSA-N -1 0 342.395 3.624 20 0 EHADRM CCCN(C)c1ccccc1NC(=O)N1CCC[C@@](CC)(C(=O)[O-])C1 ZINC000926183623 957148061 /nfs/dbraw/zinc/14/80/61/957148061.db2.gz NJWLYSZYENWGJL-LJQANCHMSA-N -1 0 347.459 3.642 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)s2)C[C@@H]1C(=O)[O-] ZINC001118261150 957164904 /nfs/dbraw/zinc/16/49/04/957164904.db2.gz VBTLPBQZWMOJFK-OCCSQVGLSA-N -1 0 329.421 3.598 20 0 EHADRM Cc1sc2ncnc(SCc3nc(C(=O)[O-])cs3)c2c1C ZINC000031944426 957168212 /nfs/dbraw/zinc/16/82/12/957168212.db2.gz CYECPMKCAWGXKZ-UHFFFAOYSA-N -1 0 337.451 3.755 20 0 EHADRM CSc1ccc(C(=O)/C=C/c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000032798862 957180462 /nfs/dbraw/zinc/18/04/62/957180462.db2.gz RKIUGFTYIVIJAH-NYYWCZLTSA-N -1 0 328.389 3.768 20 0 EHADRM CCCCc1ccc(NS(=O)(=O)c2ccccc2C(=O)[O-])cc1 ZINC000034601511 957193636 /nfs/dbraw/zinc/19/36/36/957193636.db2.gz HPZMAKZLEBTQCQ-UHFFFAOYSA-N -1 0 333.409 3.528 20 0 EHADRM C[C@H](NC(=O)c1ccccc1C(=O)[O-])c1ccc(Br)cc1 ZINC000035135342 957200553 /nfs/dbraw/zinc/20/05/53/957200553.db2.gz OGRLISYITRDQQM-JTQLQIEISA-N -1 0 348.196 3.638 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)C1CC1 ZINC001121810602 957208627 /nfs/dbraw/zinc/20/86/27/957208627.db2.gz LHZUOSJZFLPZSH-HNAYVOBHSA-N -1 0 344.455 3.733 20 0 EHADRM C[C@H](SCCOc1ccc(Cl)cc1Br)C(=O)[O-] ZINC000036967188 957248095 /nfs/dbraw/zinc/24/80/95/957248095.db2.gz MUTRETISZUAQIQ-ZETCQYMHSA-N -1 0 339.638 3.688 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000037412180 957280231 /nfs/dbraw/zinc/28/02/31/957280231.db2.gz NFBQNARLBIUIJR-LURJTMIESA-N -1 0 332.208 3.801 20 0 EHADRM CC(C)(C(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC001319220693 957302345 /nfs/dbraw/zinc/30/23/45/957302345.db2.gz CQVFCKCWISRVLC-JTQLQIEISA-N -1 0 344.238 3.594 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)NC[C@H]1CCCCC1(F)F ZINC000390072416 972263698 /nfs/dbraw/zinc/26/36/98/972263698.db2.gz OIROMLSEQKBWRQ-GFCCVEGCSA-N -1 0 326.343 3.640 20 0 EHADRM CC(C)(CC(=O)[O-])Cc1nnc(-c2cccc(Br)c2)o1 ZINC000061827963 957585906 /nfs/dbraw/zinc/58/59/06/957585906.db2.gz POOFVDVULVIZBL-UHFFFAOYSA-N -1 0 339.189 3.543 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1Br ZINC000066145728 957644788 /nfs/dbraw/zinc/64/47/88/957644788.db2.gz LRSFFSCGPRVAFX-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCCCOCc2ccccc2)c1 ZINC000390454099 972286888 /nfs/dbraw/zinc/28/68/88/972286888.db2.gz CBXLBXNSSDOKEL-UHFFFAOYSA-N -1 0 344.367 3.702 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)c1 ZINC001594288290 957795473 /nfs/dbraw/zinc/79/54/73/957795473.db2.gz IMCRYCSMRWNMCS-WJYNOGRTSA-N -1 0 327.355 3.508 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)O[C@H]2CCOc3c(C)cccc32)c1 ZINC001594288826 957803617 /nfs/dbraw/zinc/80/36/17/957803617.db2.gz BCWIOOOKOVDIOO-INIZCTEOSA-N -1 0 326.348 3.682 20 0 EHADRM Cc1cc(C(F)(F)C(=O)Nc2sccc2C(=O)[O-])cnc1Cl ZINC001594290249 957825883 /nfs/dbraw/zinc/82/58/83/957825883.db2.gz RXNCZOGVSQCWOX-UHFFFAOYSA-N -1 0 346.742 3.534 20 0 EHADRM O=C([O-])c1ccc(C(=O)Oc2ccc(SC(F)(F)F)cc2)nc1 ZINC001574797020 957827616 /nfs/dbraw/zinc/82/76/16/957827616.db2.gz XXAUKUKVJGYRCT-UHFFFAOYSA-N -1 0 343.282 3.611 20 0 EHADRM O=C([O-])c1ccc(COC(=O)C2(c3nccc4ccccc43)CC2)cc1 ZINC001574802534 957842646 /nfs/dbraw/zinc/84/26/46/957842646.db2.gz JNMZKWWZAQZHRF-UHFFFAOYSA-N -1 0 347.370 3.708 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCC[C@H]2Cc2cc(F)ccc2F)c1 ZINC001574807542 957861758 /nfs/dbraw/zinc/86/17/58/957861758.db2.gz MGGBKZAKYPNFLO-INIZCTEOSA-N -1 0 345.345 3.510 20 0 EHADRM CON(C[C@H]1CCC[C@H](C)C1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001594044121 957905049 /nfs/dbraw/zinc/90/50/49/957905049.db2.gz RIHRIIQSCQUPBV-KBPBESRZSA-N -1 0 334.416 3.535 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12 ZINC001574820603 957908485 /nfs/dbraw/zinc/90/84/85/957908485.db2.gz SUJSNVXXDBNETD-CYZMBNFOSA-N -1 0 333.796 3.624 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)N1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC001574821675 957914175 /nfs/dbraw/zinc/91/41/75/957914175.db2.gz FOEFTQNUSJRFPG-KRWDZBQOSA-N -1 0 349.390 3.705 20 0 EHADRM COc1cc(Cl)c(NC(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1C ZINC001594058754 958068754 /nfs/dbraw/zinc/06/87/54/958068754.db2.gz FFSRQXWSYJKZTQ-HNNXBMFYSA-N -1 0 348.786 3.604 20 0 EHADRM Cc1cc(NC(=O)N[C@@](C)(C2CC2)C(F)(F)F)ccc1C(=O)[O-] ZINC001594319913 958117342 /nfs/dbraw/zinc/11/73/42/958117342.db2.gz HMDMDRVVBYIFAC-AWEZNQCLSA-N -1 0 330.306 3.546 20 0 EHADRM Cc1cc(NC(=O)NC[C@@H]2CSc3ccccc32)ccc1C(=O)[O-] ZINC001594320097 958119021 /nfs/dbraw/zinc/11/90/21/958119021.db2.gz MVSCKBDJHWADJN-GFCCVEGCSA-N -1 0 342.420 3.704 20 0 EHADRM CSc1ccc(C)c(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)c1 ZINC000391170299 972321349 /nfs/dbraw/zinc/32/13/49/972321349.db2.gz HCPDUQBJNUJENW-UHFFFAOYSA-N -1 0 337.347 3.946 20 0 EHADRM Cc1cc(O[C@@H](C)C(=O)Nc2cccnc2C(=O)[O-])ccc1C(C)C ZINC001594328715 958198954 /nfs/dbraw/zinc/19/89/54/958198954.db2.gz YRMYRBZRGSRYBJ-ZDUSSCGKSA-N -1 0 342.395 3.618 20 0 EHADRM O=C([O-])C1(CNC(=O)C2CCC(C(F)(F)F)CC2)CCCCC1 ZINC000391293927 972327980 /nfs/dbraw/zinc/32/79/80/972327980.db2.gz ONBZXGLVWIXWLN-UHFFFAOYSA-N -1 0 335.366 3.506 20 0 EHADRM O=C([O-])CC1CCN(C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000093680289 958249812 /nfs/dbraw/zinc/24/98/12/958249812.db2.gz NWOWTCANMDCHCT-UHFFFAOYSA-N -1 0 331.199 3.712 20 0 EHADRM Cc1ccc(-c2nc(CNCc3ccc(C(=O)[O-])s3)co2)cc1 ZINC001594335116 958256798 /nfs/dbraw/zinc/25/67/98/958256798.db2.gz BEFLYQOLDZZCKU-UHFFFAOYSA-N -1 0 328.393 3.700 20 0 EHADRM O=C([O-])c1ccc(/C=C2/CCc3ccc(Br)cc3C2=O)[nH]1 ZINC000093903113 958258058 /nfs/dbraw/zinc/25/80/58/958258058.db2.gz DRWNBYRLDGGPMF-YFHOEESVSA-N -1 0 346.180 3.688 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC001594349361 958333063 /nfs/dbraw/zinc/33/30/63/958333063.db2.gz AXYRLYXKMZHBNA-XHSDSOJGSA-N -1 0 347.455 3.597 20 0 EHADRM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)Nc2cc(C(=O)[O-])ccn2)o1 ZINC001594354040 958395398 /nfs/dbraw/zinc/39/53/98/958395398.db2.gz KTUJOHSZLXIBSB-BXUZGUMPSA-N -1 0 343.383 3.686 20 0 EHADRM Cc1ccc([C@@H]2CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)C2(C)C)cc1 ZINC001594354058 958395519 /nfs/dbraw/zinc/39/55/19/958395519.db2.gz LLDKTSYQOSKNSY-IKGGRYGDSA-N -1 0 344.455 3.526 20 0 EHADRM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)NCC2(C(=O)[O-])CCC2)cc1 ZINC001594354336 958399300 /nfs/dbraw/zinc/39/93/00/958399300.db2.gz RVBYMIXLQFYUEU-DOTOQJQBSA-N -1 0 344.455 3.733 20 0 EHADRM Cc1ccc([C@@H]2CCC[C@@H]2OC(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC001594354981 958406336 /nfs/dbraw/zinc/40/63/36/958406336.db2.gz YYRJNCAYWKIALR-RDJZCZTQSA-N -1 0 325.364 3.581 20 0 EHADRM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)Nc2cccnc2C(=O)[O-])o1 ZINC001594355060 958406473 /nfs/dbraw/zinc/40/64/73/958406473.db2.gz ZRCCUZXNIDWILN-BXUZGUMPSA-N -1 0 343.383 3.686 20 0 EHADRM Cc1ccc(F)c2[nH]c(C(=O)NC3(C(=O)[O-])CCCCCC3)cc21 ZINC001594365116 958485831 /nfs/dbraw/zinc/48/58/31/958485831.db2.gz NYZRGFIGZDOYDH-UHFFFAOYSA-N -1 0 332.375 3.523 20 0 EHADRM Cc1ccc(F)c2[nH]c(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc21 ZINC001594365382 958486360 /nfs/dbraw/zinc/48/63/60/958486360.db2.gz PIXPKDBRTIASQJ-ZDUSSCGKSA-N -1 0 334.391 3.625 20 0 EHADRM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c(C(=O)[O-])c1 ZINC000391636059 972351955 /nfs/dbraw/zinc/35/19/55/972351955.db2.gz NOJQFYQQQDAWCM-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM N#Cc1ccc(Br)cc1NCC1(C(=O)[O-])CCCCC1 ZINC000123016027 958493828 /nfs/dbraw/zinc/49/38/28/958493828.db2.gz NBYSFILQTABSAP-UHFFFAOYSA-N -1 0 337.217 3.768 20 0 EHADRM C/C(=C(/F)C(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21)C1CC1 ZINC001573340716 958541457 /nfs/dbraw/zinc/54/14/57/958541457.db2.gz YGPICLAYWQEVOK-CYUIRQCWSA-N -1 0 331.387 3.710 20 0 EHADRM Cc1ccc2c(ccc(C)c2C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1 ZINC001594381580 958630839 /nfs/dbraw/zinc/63/08/39/958630839.db2.gz NWIORDBJOHZMDH-CZUORRHYSA-N -1 0 325.408 3.639 20 0 EHADRM COc1cccc(C[C@@H](C)CC(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC001594126453 958643069 /nfs/dbraw/zinc/64/30/69/958643069.db2.gz PCSXIOXVKCPTAU-GFCCVEGCSA-N -1 0 345.370 3.740 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001573374366 958647407 /nfs/dbraw/zinc/64/74/07/958647407.db2.gz IFEQWKWBXPKMEN-RCOVLWMOSA-N -1 0 344.207 3.573 20 0 EHADRM COc1ccc(Cl)cc1C(=O)Nc1c(C)csc1C(=O)[O-] ZINC000128236213 958647996 /nfs/dbraw/zinc/64/79/96/958647996.db2.gz GKTUVVWRPWBZDF-UHFFFAOYSA-N -1 0 325.773 3.669 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)CCCOCCc1ccccc1 ZINC001594388223 958694140 /nfs/dbraw/zinc/69/41/40/958694140.db2.gz RHFGCOMVDLYILB-UHFFFAOYSA-N -1 0 341.407 3.671 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC001573391022 958699530 /nfs/dbraw/zinc/69/95/30/958699530.db2.gz QFYVOBZPXRJGRM-WMLDXEAASA-N -1 0 342.439 3.621 20 0 EHADRM Cc1cccc([C@H](NC(=O)[C@H](C)CSc2ccccc2)C(=O)[O-])c1 ZINC001594390613 958711840 /nfs/dbraw/zinc/71/18/40/958711840.db2.gz YIGVWPZPDIWNEU-PBHICJAKSA-N -1 0 343.448 3.665 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N[C@H](C(=O)[O-])c2cccs2)c1 ZINC000129602440 958711966 /nfs/dbraw/zinc/71/19/66/958711966.db2.gz GCHWHGBJRQPVGE-LBPRGKRZSA-N -1 0 341.841 3.679 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)c1cc(Cl)nc(C(C)(C)C)c1 ZINC001573406196 958726199 /nfs/dbraw/zinc/72/61/99/958726199.db2.gz FAQNHCRFDNBEGG-UHFFFAOYSA-N -1 0 340.851 3.605 20 0 EHADRM CC(C)(C)CN(CC(=O)OC(C)(C)C)Cc1ccc(C(=O)[O-])cc1 ZINC001573406501 958730963 /nfs/dbraw/zinc/73/09/63/958730963.db2.gz XOJITSFPCDLXFW-UHFFFAOYSA-N -1 0 335.444 3.575 20 0 EHADRM Cc1cccc([C@@H](NC(=O)Nc2cc(F)ccc2Cl)C(=O)[O-])c1 ZINC001594398253 958797961 /nfs/dbraw/zinc/79/79/61/958797961.db2.gz TVUJDOJLYPUFJM-CQSZACIVSA-N -1 0 336.750 3.735 20 0 EHADRM Cc1cccc([C@H](NC(=O)Cc2ccc3ccccc3c2)C(=O)[O-])c1 ZINC001594398782 958812979 /nfs/dbraw/zinc/81/29/79/958812979.db2.gz XHNDZOUSZRHMLU-FQEVSTJZSA-N -1 0 333.387 3.633 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)c(F)cc1F ZINC000391828912 972380429 /nfs/dbraw/zinc/38/04/29/972380429.db2.gz FBTRZQLIGPGBQD-UHFFFAOYSA-N -1 0 345.223 3.934 20 0 EHADRM Cc1cccc(CC(=O)Nc2ccccc2C(=O)[O-])c1Br ZINC001594409649 958936859 /nfs/dbraw/zinc/93/68/59/958936859.db2.gz NIDKTZXUZYWICP-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM Cc1cccc(Oc2cccc(NC(=O)N(C)CCC(=O)[O-])c2)c1 ZINC001594409825 958939905 /nfs/dbraw/zinc/93/99/05/958939905.db2.gz OKSVRMPRSLQIJC-UHFFFAOYSA-N -1 0 328.368 3.726 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)c2cccc(C(F)F)c2)c2ccccc21 ZINC001605743717 972389739 /nfs/dbraw/zinc/38/97/39/972389739.db2.gz OAWDGUFVVXGYMG-LSDHHAIUSA-N -1 0 331.318 3.667 20 0 EHADRM C[C@@H](C(=O)N1CCC(C)(C(=O)[O-])CC1)c1ccc(C(F)(F)F)cc1 ZINC001588546540 958999807 /nfs/dbraw/zinc/99/98/07/958999807.db2.gz AVUHACZOHKXRBT-LLVKDONJSA-N -1 0 343.345 3.522 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccn1)C(C)C ZINC001594416064 959005561 /nfs/dbraw/zinc/00/55/61/959005561.db2.gz ZCHXNNVCKRAXCN-INIZCTEOSA-N -1 0 327.384 3.607 20 0 EHADRM Cc1ccccc1C[C@H](C)C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001594417763 959024190 /nfs/dbraw/zinc/02/41/90/959024190.db2.gz TZURPPDYBQGJRL-GDIGMMSISA-N -1 0 337.419 3.603 20 0 EHADRM CC(C)[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)C1CC1 ZINC001573498764 959042692 /nfs/dbraw/zinc/04/26/92/959042692.db2.gz GCSYTUKGYXEEAK-ZDUSSCGKSA-N -1 0 328.771 3.733 20 0 EHADRM CC(C)CCOc1ccc(C(=O)NCc2ccccc2C(=O)[O-])cc1 ZINC001573518110 959114954 /nfs/dbraw/zinc/11/49/54/959114954.db2.gz NPDXANVXXGBLMZ-UHFFFAOYSA-N -1 0 341.407 3.740 20 0 EHADRM CC(C)COc1ccccc1C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001573524820 959140927 /nfs/dbraw/zinc/14/09/27/959140927.db2.gz MHRLBZALPXVGQM-HNNXBMFYSA-N -1 0 335.444 3.731 20 0 EHADRM CSCc1ccccc1NC(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001594188220 959141155 /nfs/dbraw/zinc/14/11/55/959141155.db2.gz RBNHWTMJZWEHCZ-HNNXBMFYSA-N -1 0 348.399 3.636 20 0 EHADRM CC(C)C[C@@H](CNC(=O)c1csc(C2CCCCC2)n1)C(=O)[O-] ZINC001573527484 959151031 /nfs/dbraw/zinc/15/10/31/959151031.db2.gz QXWCWCRKKDBEEC-ZDUSSCGKSA-N -1 0 338.473 3.668 20 0 EHADRM CSc1c(F)cccc1NC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001594189837 959163596 /nfs/dbraw/zinc/16/35/96/959163596.db2.gz VSDZYHFBWCGWIL-LLVKDONJSA-N -1 0 340.420 3.656 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC001594193499 959178927 /nfs/dbraw/zinc/17/89/27/959178927.db2.gz IHKVOPCTBQBXBA-QMMMGPOBSA-N -1 0 328.821 3.531 20 0 EHADRM Cc1oc(CNC(=O)Nc2ccc(C(C)(C)C)cc2)cc1C(=O)[O-] ZINC000392086659 972408396 /nfs/dbraw/zinc/40/83/96/972408396.db2.gz RSDUJSCHXAWDHZ-UHFFFAOYSA-N -1 0 330.384 3.905 20 0 EHADRM Cc1cnccc1C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001594433470 959198380 /nfs/dbraw/zinc/19/83/80/959198380.db2.gz JMHVARJTCVINHT-SECBINFHSA-N -1 0 330.409 3.527 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 ZINC001588575400 959218265 /nfs/dbraw/zinc/21/82/65/959218265.db2.gz MSZXJCMCYDCDDZ-NSHDSACASA-N -1 0 333.771 3.578 20 0 EHADRM Cc1ccc(Br)c(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000164171672 959254898 /nfs/dbraw/zinc/25/48/98/959254898.db2.gz FUCLBOKVHSOKDW-MNOVXSKESA-N -1 0 340.217 3.587 20 0 EHADRM C[C@@H](OC(=O)[C@@]1(C(=O)[O-])CC=CCC1)c1cccc(OC(F)F)c1 ZINC001594211869 959295714 /nfs/dbraw/zinc/29/57/14/959295714.db2.gz VMOAPIYLCQTJOE-DIFFPNOSSA-N -1 0 340.322 3.703 20 0 EHADRM Cc1nc(-c2ccccc2)ccc1C(=O)N1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC001594443478 959306561 /nfs/dbraw/zinc/30/65/61/959306561.db2.gz DASFLPGVMWMAFN-FZKQIMNGSA-N -1 0 338.407 3.525 20 0 EHADRM Cc1nc(C(C)C)sc1[C@@H](C)OC(=O)c1ccc(C(=O)[O-])cn1 ZINC001594449891 959359532 /nfs/dbraw/zinc/35/95/32/959359532.db2.gz QIGVPFGTZJDBOD-SNVBAGLBSA-N -1 0 334.397 3.586 20 0 EHADRM O=C([O-])c1coc(C(=O)N[C@H](c2ccccc2)c2cccc(F)c2)c1 ZINC000183814741 959451705 /nfs/dbraw/zinc/45/17/05/959451705.db2.gz XJJCEKXBMKERRC-QGZVFWFLSA-N -1 0 339.322 3.636 20 0 EHADRM Cc1nc2ccc(COC(=O)Cc3ccccc3C(=O)[O-])cc2s1 ZINC001594464556 959499247 /nfs/dbraw/zinc/49/92/47/959499247.db2.gz ZMBPHBCKDULWRP-UHFFFAOYSA-N -1 0 341.388 3.589 20 0 EHADRM C[C@H](NC(=O)Nc1ccnc(C(=O)[O-])c1)c1ccc2c(c1)CCCC2 ZINC001594238006 959514116 /nfs/dbraw/zinc/51/41/16/959514116.db2.gz GXOQPHZSBPJLDF-LBPRGKRZSA-N -1 0 339.395 3.541 20 0 EHADRM C[C@@](NC(=O)c1ccc(-c2ccccc2)o1)(C(=O)[O-])c1ccccc1 ZINC001573622810 959523532 /nfs/dbraw/zinc/52/35/32/959523532.db2.gz OTPWKELXPOHUHA-FQEVSTJZSA-N -1 0 335.359 3.676 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1scnc1C1CC1 ZINC000191202518 959545207 /nfs/dbraw/zinc/54/52/07/959545207.db2.gz ZXMIJXAUBWFDDP-UHFFFAOYSA-N -1 0 344.436 3.528 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)COc2ccccc2Cl)cc1)C(=O)[O-] ZINC000191391834 959556950 /nfs/dbraw/zinc/55/69/50/959556950.db2.gz LGDVKWXYCBKQDG-LBPRGKRZSA-N -1 0 347.798 3.621 20 0 EHADRM C[C@H]1CC[C@@](C)(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)C1(C)C ZINC001594245246 959558570 /nfs/dbraw/zinc/55/85/70/959558570.db2.gz HHGHUYFJUWUUJB-GKCIPKSASA-N -1 0 331.456 3.608 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2ccc(Cl)cc2F)cc1)C(=O)[O-] ZINC000191398914 959558940 /nfs/dbraw/zinc/55/89/40/959558940.db2.gz ASIGZHNABHTNHC-JTQLQIEISA-N -1 0 335.762 3.995 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)[C@@H](C)Cc2cccc(F)c2)cc1)C(=O)[O-] ZINC000191396168 959559104 /nfs/dbraw/zinc/55/91/04/959559104.db2.gz DXPBVADSHIZHKL-KBPBESRZSA-N -1 0 343.398 3.906 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1)C(=O)[O-] ZINC000191400660 959560594 /nfs/dbraw/zinc/56/05/94/959560594.db2.gz OVQZJPDXLDRLOB-LLVKDONJSA-N -1 0 329.421 3.752 20 0 EHADRM Cc1ccc(CCC(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1 ZINC000191401265 959560954 /nfs/dbraw/zinc/56/09/54/959560954.db2.gz FDJYTBXLVGOXBX-HNNXBMFYSA-N -1 0 325.408 3.830 20 0 EHADRM COc1cc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)ccc1Cl ZINC000191425330 959565512 /nfs/dbraw/zinc/56/55/12/959565512.db2.gz BXQNJOQCWLCNBH-NSHDSACASA-N -1 0 347.798 3.864 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)C2CCC(F)(F)CC2)cc1)C(=O)[O-] ZINC000191447346 959569810 /nfs/dbraw/zinc/56/98/10/959569810.db2.gz WUSYQWYYOHQEHK-NSHDSACASA-N -1 0 325.355 3.714 20 0 EHADRM C[C@@](CNC(=O)c1csc2ccccc12)(C(=O)[O-])c1ccccc1 ZINC000193079655 959611926 /nfs/dbraw/zinc/61/19/26/959611926.db2.gz KFMOWDYRBCHPDY-IBGZPJMESA-N -1 0 339.416 3.674 20 0 EHADRM CC(C)c1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)nn1C(C)(C)C ZINC000196792201 959628577 /nfs/dbraw/zinc/62/85/77/959628577.db2.gz MRGROLFPYSPQJG-UHFFFAOYSA-N -1 0 329.400 3.712 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(Oc2ccc(F)cc2)cn1 ZINC001588635007 959648763 /nfs/dbraw/zinc/64/87/63/959648763.db2.gz WVCZLEGZULABFE-OAHLLOKOSA-N -1 0 346.358 3.698 20 0 EHADRM O=C([O-])c1cccc(CSc2nnc(-c3ccc(F)cc3)o2)c1 ZINC000206510054 959660138 /nfs/dbraw/zinc/66/01/38/959660138.db2.gz DCXYLKSXSLFFKJ-UHFFFAOYSA-N -1 0 330.340 3.866 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001573665136 959686859 /nfs/dbraw/zinc/68/68/59/959686859.db2.gz PYRAUNUBGOYSTK-XAYKYTGQSA-N -1 0 335.831 3.593 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001594260271 959691028 /nfs/dbraw/zinc/69/10/28/959691028.db2.gz KOFRFAKEZCQJQF-UHFFFAOYSA-N -1 0 330.340 3.694 20 0 EHADRM CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001588643540 959717773 /nfs/dbraw/zinc/71/77/73/959717773.db2.gz SJLCHOTZPXFFJF-DOTOQJQBSA-N -1 0 347.455 3.732 20 0 EHADRM Cc1nnc(N(CCC(C)C)C(=O)CCCC(=O)[O-])c2ccccc12 ZINC001594493069 959724729 /nfs/dbraw/zinc/72/47/29/959724729.db2.gz SEJUIEPZCZICDR-UHFFFAOYSA-N -1 0 343.427 3.572 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)c1ccc(OC2CCC2)cc1)C(=O)[O-] ZINC001588647134 959743845 /nfs/dbraw/zinc/74/38/45/959743845.db2.gz CASZIBCOGWITTF-MRXNPFEDSA-N -1 0 333.428 3.627 20 0 EHADRM CN(Cc1ccccc1)Cc1ccc(C(=O)[O-])cc1Br ZINC000226718836 959896092 /nfs/dbraw/zinc/89/60/92/959896092.db2.gz USZHOFCMLAMECY-UHFFFAOYSA-N -1 0 334.213 3.779 20 0 EHADRM Cc1cc(C(=O)[O-])nc(N[C@@H](C)c2ccc(Cl)cc2Cl)n1 ZINC000231946792 960216774 /nfs/dbraw/zinc/21/67/74/960216774.db2.gz AMUHDCKQTNGWKM-QMMMGPOBSA-N -1 0 326.183 3.963 20 0 EHADRM Cc1cc(NCc2cccc(C(=O)[O-])n2)cc(C)c1Br ZINC000232042585 960240184 /nfs/dbraw/zinc/24/01/84/960240184.db2.gz LTFOTMHGOHEKTC-UHFFFAOYSA-N -1 0 335.201 3.771 20 0 EHADRM Cc1cc(Br)cc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000232048118 960241798 /nfs/dbraw/zinc/24/17/98/960241798.db2.gz CHTJMMYTAGHIKV-GHMZBOCLSA-N -1 0 340.217 3.587 20 0 EHADRM CCc1nc(-c2cc(OC)ccc2Br)sc1C(=O)[O-] ZINC000234186389 960344200 /nfs/dbraw/zinc/34/42/00/960344200.db2.gz RKMFFAXFHAJTBN-UHFFFAOYSA-N -1 0 342.214 3.842 20 0 EHADRM C[C@H]1CCN(C(=O)C(C)(C)c2cccc3ccccc32)C[C@@H]1C(=O)[O-] ZINC001573725693 960402504 /nfs/dbraw/zinc/40/25/04/960402504.db2.gz GYBGHQTXIUXVPT-YOEHRIQHSA-N -1 0 339.435 3.687 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)c1cc(Cl)cc(Cl)c1F ZINC001588654015 960407082 /nfs/dbraw/zinc/40/70/82/960407082.db2.gz QSTOZHLWIHWUKU-UHFFFAOYSA-N -1 0 336.190 3.705 20 0 EHADRM C[C@H]1CCN(C(=O)NCC2CC(C)(C)CC(C)(C)C2)C[C@H]1C(=O)[O-] ZINC001573726704 960413901 /nfs/dbraw/zinc/41/39/01/960413901.db2.gz QPXUKXYTKVEVNR-DZGCQCFKSA-N -1 0 338.492 3.591 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc3c(s2)CCCCCC3)C[C@H]1C(=O)[O-] ZINC001573736389 960439480 /nfs/dbraw/zinc/43/94/80/960439480.db2.gz USPABSJSWJZDSA-TZMCWYRMSA-N -1 0 335.469 3.590 20 0 EHADRM C[C@@H](NC(=O)c1cc2c(s1)CC[C@H](C)C2)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001573738935 960474013 /nfs/dbraw/zinc/47/40/13/960474013.db2.gz LQTISBLWKZCABG-UZGDPCLZSA-N -1 0 349.496 3.738 20 0 EHADRM Cc1c(NC(=O)c2ccc(Cl)nc2Cl)cccc1C(=O)[O-] ZINC000235835937 960512927 /nfs/dbraw/zinc/51/29/27/960512927.db2.gz HBFRJVIBJQYMSJ-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM CSCCc1ccc(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC001574256955 960536163 /nfs/dbraw/zinc/53/61/63/960536163.db2.gz GNMMHCPEDMJVHT-VQHVLOKHSA-N -1 0 331.393 3.535 20 0 EHADRM CSc1cc(Cl)c(C(F)(F)F)cc1NC(=O)[C@H](C)C(=O)[O-] ZINC001574257114 960537308 /nfs/dbraw/zinc/53/73/08/960537308.db2.gz IHLRZJRZLRYVJW-YFKPBYRVSA-N -1 0 341.738 3.740 20 0 EHADRM O=C([O-])[C@@H]1Cc2ccccc2N(Cc2cccc(Br)c2)C1 ZINC000236459638 960633185 /nfs/dbraw/zinc/63/31/85/960633185.db2.gz GITHSEPQVNPADR-CQSZACIVSA-N -1 0 346.224 3.713 20 0 EHADRM O=C([O-])CC1(CC(=O)NCCc2c(F)cccc2Cl)CCCC1 ZINC001252945139 960638821 /nfs/dbraw/zinc/63/88/21/960638821.db2.gz TZWCQSHFTIHXPA-UHFFFAOYSA-N -1 0 341.810 3.563 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)C(F)(F)F ZINC001573769666 960652468 /nfs/dbraw/zinc/65/24/68/960652468.db2.gz BDZXGMVHOWVMOG-HQJQHLMTSA-N -1 0 336.285 3.622 20 0 EHADRM C[C@H](NC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C)c1ccc(Cl)s1 ZINC001574285952 960655788 /nfs/dbraw/zinc/65/57/88/960655788.db2.gz AQHSQGDZCVWDLF-QMMMGPOBSA-N -1 0 329.849 3.716 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC001574288405 960669976 /nfs/dbraw/zinc/66/99/76/960669976.db2.gz VIZCVLIOMFFOPN-JTQLQIEISA-N -1 0 334.759 3.727 20 0 EHADRM C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001574289401 960673271 /nfs/dbraw/zinc/67/32/71/960673271.db2.gz MMXIAEGSRMROGB-CQSZACIVSA-N -1 0 349.390 3.512 20 0 EHADRM O=C([O-])c1sccc1NC(=O)c1cccc(Br)c1F ZINC000236485660 960674597 /nfs/dbraw/zinc/67/45/97/960674597.db2.gz ZQAVCTVMRWZAOA-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM CC[C@H](C)Oc1cc(Nc2cccc(CCC(=O)[O-])c2)nc(C)n1 ZINC001573776965 960698838 /nfs/dbraw/zinc/69/88/38/960698838.db2.gz UFWPMGKECXMAKI-LBPRGKRZSA-N -1 0 329.400 3.723 20 0 EHADRM CC(C)(C)c1ccc(CCC(=O)Nc2nc(CC(=O)[O-])cs2)cc1 ZINC000236581935 960711351 /nfs/dbraw/zinc/71/13/51/960711351.db2.gz XIPGDONKNPERSK-UHFFFAOYSA-N -1 0 346.452 3.639 20 0 EHADRM CCCCCCOc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])cc1 ZINC000236663209 960724776 /nfs/dbraw/zinc/72/47/76/960724776.db2.gz CMGOUBORIYKZDN-DLBZAZTESA-N -1 0 333.428 3.629 20 0 EHADRM CC(C)COc1cccc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)c1 ZINC000236696897 960734126 /nfs/dbraw/zinc/73/41/26/960734126.db2.gz SFDHDFJYEAFLAZ-OAHLLOKOSA-N -1 0 347.436 3.729 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)CCSc1ccc(Cl)cc1 ZINC000236708067 960737444 /nfs/dbraw/zinc/73/74/44/960737444.db2.gz FKUFWICITRSUIO-UHFFFAOYSA-N -1 0 343.876 3.782 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)N2[C@H](C)CCC[C@@H]2C(=O)[O-])cc1 ZINC001573791033 960749398 /nfs/dbraw/zinc/74/93/98/960749398.db2.gz BNNIHQZDEWKKJS-CXAGYDPISA-N -1 0 333.428 3.722 20 0 EHADRM Cc1cc(C(=O)N[C@H](C(=O)[O-])C(C)C)c(C)n1[C@@H](C)c1ccccc1 ZINC000236767428 960753808 /nfs/dbraw/zinc/75/38/08/960753808.db2.gz ZJLVUGKIHCSEEO-KSSFIOAISA-N -1 0 342.439 3.553 20 0 EHADRM Cc1cc(Br)cc(NC(=O)[C@H](C(=O)[O-])C2CCCC2)c1 ZINC001574308028 960755907 /nfs/dbraw/zinc/75/59/07/960755907.db2.gz RWJLWCYWIBYEBO-CYBMUJFWSA-N -1 0 340.217 3.587 20 0 EHADRM CC(C)(CC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000236791551 960758871 /nfs/dbraw/zinc/75/88/71/960758871.db2.gz RZWABXKJPPZPCW-XIRDDKMYSA-N -1 0 329.440 3.599 20 0 EHADRM CCC[C@](C)(NC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000236818925 960765819 /nfs/dbraw/zinc/76/58/19/960765819.db2.gz SMNLJEDCWWCKSQ-PSLIRLAXSA-N -1 0 348.226 3.520 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCCc3cc(F)c(F)cc32)c1 ZINC001574315112 960780702 /nfs/dbraw/zinc/78/07/02/960780702.db2.gz JYAAYCPYCHDQQR-UHFFFAOYSA-N -1 0 331.318 3.564 20 0 EHADRM CCCC[C@H](NC(=O)c1ccccc1Cc1ccccc1)C(=O)[O-] ZINC000236875832 960786435 /nfs/dbraw/zinc/78/64/35/960786435.db2.gz QMCDTYPKBFEOQK-SFHVURJKSA-N -1 0 325.408 3.651 20 0 EHADRM CCC(CC)(CNC(=O)c1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000236894591 960791600 /nfs/dbraw/zinc/79/16/00/960791600.db2.gz YOODUNIRPDKDSS-UHFFFAOYSA-N -1 0 333.428 3.629 20 0 EHADRM CCC(CC)[C@H](NC(=O)NC[C@@H](CC)C(=O)[O-])c1cccs1 ZINC001573799465 960811534 /nfs/dbraw/zinc/81/15/34/960811534.db2.gz KVUMTQSTZVXYPQ-OCCSQVGLSA-N -1 0 326.462 3.635 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CCCCOc1cc(C)ccc1C ZINC000236989067 960825065 /nfs/dbraw/zinc/82/50/65/960825065.db2.gz YVJDRFFGALOYNE-IBGZPJMESA-N -1 0 335.444 3.612 20 0 EHADRM Cc1cc(C)c(CC(=O)N2CCCc3cc(C(=O)[O-])ccc32)s1 ZINC001574322012 960828666 /nfs/dbraw/zinc/82/86/66/960828666.db2.gz JFQKWIVMXSZQMJ-UHFFFAOYSA-N -1 0 329.421 3.585 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000237019676 960837114 /nfs/dbraw/zinc/83/71/14/960837114.db2.gz OUOIRPCNHBCCFI-UHFFFAOYSA-N -1 0 332.227 3.639 20 0 EHADRM CC[C@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1ccccc1OC(F)F ZINC000237049348 960854524 /nfs/dbraw/zinc/85/45/24/960854524.db2.gz STCKIOFREIBCHS-AWEZNQCLSA-N -1 0 349.333 3.867 20 0 EHADRM COCc1cccc(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])c1 ZINC000237265592 960896838 /nfs/dbraw/zinc/89/68/38/960896838.db2.gz LMGNMGDXKFHTSQ-UHFFFAOYSA-N -1 0 335.359 3.937 20 0 EHADRM COc1ccc(CNC(=O)c2cc3ccccc3s2)cc1C(=O)[O-] ZINC000237333054 960911760 /nfs/dbraw/zinc/91/17/60/960911760.db2.gz CLPCIIUGCUBWMV-UHFFFAOYSA-N -1 0 341.388 3.538 20 0 EHADRM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001573813656 960917466 /nfs/dbraw/zinc/91/74/66/960917466.db2.gz OCPBVTYKXTWIAR-MLHJIOFPSA-N -1 0 329.440 3.672 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)CCc2cccc(Cl)c2)cc1 ZINC001319217154 960923670 /nfs/dbraw/zinc/92/36/70/960923670.db2.gz IBGYQWATXCIKJC-QGZVFWFLSA-N -1 0 345.826 3.913 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)CCCc2ccccc2)cc1 ZINC001319219002 960926041 /nfs/dbraw/zinc/92/60/41/960926041.db2.gz RRHRKCMDJCSYLW-GOSISDBHSA-N -1 0 325.408 3.650 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)NCCc2ccc(C(C)C)cc2)C1 ZINC001573818388 960926869 /nfs/dbraw/zinc/92/68/69/960926869.db2.gz BQUDGNMTZFUUFX-HXUWFJFHSA-N -1 0 346.471 3.639 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)Cc1ccc(OCC(C)C)cc1 ZINC001319327967 960941374 /nfs/dbraw/zinc/94/13/74/960941374.db2.gz HNGSPQXSFNOPED-UHFFFAOYSA-N -1 0 341.407 3.909 20 0 EHADRM CC(C)c1ccc(C2(C(=O)NC3CCC(C(=O)[O-])CC3)CCC2)cc1 ZINC001319724624 960952063 /nfs/dbraw/zinc/95/20/63/960952063.db2.gz WXMJSXJDHDOWAB-UHFFFAOYSA-N -1 0 343.467 3.991 20 0 EHADRM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)NCCCCCC(=O)[O-] ZINC000237542034 960958596 /nfs/dbraw/zinc/95/85/96/960958596.db2.gz SVMSKVCGIULKCR-GFCCVEGCSA-N -1 0 345.361 3.645 20 0 EHADRM Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000237590323 960968993 /nfs/dbraw/zinc/96/89/93/960968993.db2.gz LQUJGFMVXMCRII-NSHDSACASA-N -1 0 333.771 3.753 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(C(=O)[O-])o1)C1CC1 ZINC000237622758 960977275 /nfs/dbraw/zinc/97/72/75/960977275.db2.gz OODCDXJQHIDPPT-JTQLQIEISA-N -1 0 333.771 3.997 20 0 EHADRM CC[C@@H]1CCCC[C@H]1OCC(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC001573830233 961011474 /nfs/dbraw/zinc/01/14/74/961011474.db2.gz OFRNSGGQJWDYIS-RDTXWAMCSA-N -1 0 345.439 3.649 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)c3ccc(C(=O)[O-])s3)c2)oc1C ZINC000237825114 961029800 /nfs/dbraw/zinc/02/98/00/961029800.db2.gz SHNINSYEZFOBFL-UHFFFAOYSA-N -1 0 342.376 3.970 20 0 EHADRM O=C([O-])CNC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000237929094 961041068 /nfs/dbraw/zinc/04/10/68/961041068.db2.gz ZBVDOHZVCOQJSV-UHFFFAOYSA-N -1 0 330.192 3.536 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H]1NC(=O)c1ccc(OCC2CCCCC2)cc1 ZINC000237934366 961043858 /nfs/dbraw/zinc/04/38/58/961043858.db2.gz XTKLYWMOXKXKEQ-QZTJIDSGSA-N -1 0 345.439 3.629 20 0 EHADRM Cc1ccc(CCNC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1C ZINC001574366651 961044371 /nfs/dbraw/zinc/04/43/71/961044371.db2.gz OVDZIBGLDDEOCH-UHFFFAOYSA-N -1 0 330.359 3.505 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cc3c(s2)CCCCC3)C1 ZINC000237968694 961057513 /nfs/dbraw/zinc/05/75/13/961057513.db2.gz CFFBHIHUGNOVMM-ZDUSSCGKSA-N -1 0 335.469 3.734 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2C[C@@H]3CCCC[C@@]32c2ccccc2)o1 ZINC000238014029 961074755 /nfs/dbraw/zinc/07/47/55/961074755.db2.gz NLMKFQSJFGFGNR-IFXJQAMLSA-N -1 0 325.364 3.519 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)c1 ZINC000238037604 961083899 /nfs/dbraw/zinc/08/38/99/961083899.db2.gz SRHDHLDQTZGICD-UHFFFAOYSA-N -1 0 344.754 3.537 20 0 EHADRM CCc1oc2ccccc2c1C(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001326375438 961086328 /nfs/dbraw/zinc/08/63/28/961086328.db2.gz JDJWBCZUBCSJEO-UHFFFAOYSA-N -1 0 349.386 3.892 20 0 EHADRM CCCN(C(=O)CCCC(=O)[O-])[C@H]1C[C@H](OCC)C12CCCCC2 ZINC001573847823 961100299 /nfs/dbraw/zinc/10/02/99/961100299.db2.gz ACIYBDGIHPFVQG-HOTGVXAUSA-N -1 0 339.476 3.608 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2cc3c(s2)CCCCCC3)o1 ZINC000238131370 961119054 /nfs/dbraw/zinc/11/90/54/961119054.db2.gz NYDSVXMZMVYWDH-UHFFFAOYSA-N -1 0 333.409 3.628 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)C2(c3cccc(F)c3)CCC2)c1 ZINC000238142572 961124117 /nfs/dbraw/zinc/12/41/17/961124117.db2.gz DAAVCQIJFCQAQR-UHFFFAOYSA-N -1 0 331.318 3.723 20 0 EHADRM O=C([O-])CN(Cc1ccccc1)C(=O)c1cc2ccccc2s1 ZINC000238151961 961131341 /nfs/dbraw/zinc/13/13/41/961131341.db2.gz ASXGOSHVMJOLFJ-UHFFFAOYSA-N -1 0 325.389 3.628 20 0 EHADRM O=C([O-])[C@@H](c1ccccc1Cl)N1CCO[C@H](c2ccccc2)C1 ZINC001327323633 961153429 /nfs/dbraw/zinc/15/34/29/961153429.db2.gz OMVMGGZHMFTKCM-DLBZAZTESA-N -1 0 331.799 3.539 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)CCC3CCOCC3)ccc2s1 ZINC000238206892 961159822 /nfs/dbraw/zinc/15/98/22/961159822.db2.gz NBVZTMLAVYZWQQ-UHFFFAOYSA-N -1 0 333.409 3.745 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccc(OC3CCCC3)cc2)c1 ZINC000238212607 961163625 /nfs/dbraw/zinc/16/36/25/961163625.db2.gz XEQPHGUAGIVYHY-UHFFFAOYSA-N -1 0 325.364 3.959 20 0 EHADRM Cc1cccc([C@H](NC(=O)Cc2ccc(CC(C)C)cc2)C(=O)[O-])c1 ZINC001574389690 961163472 /nfs/dbraw/zinc/16/34/72/961163472.db2.gz QDOGBDBIANQKLB-FQEVSTJZSA-N -1 0 339.435 3.678 20 0 EHADRM Cc1cccc(C)c1CN(CC(C)C)C(=O)c1ccc(C(=O)[O-])cn1 ZINC001574395222 961210565 /nfs/dbraw/zinc/21/05/65/961210565.db2.gz WWSRKHLQCQHPIT-UHFFFAOYSA-N -1 0 340.423 3.695 20 0 EHADRM Cc1ccccc1Sc1ccc(C(=O)NC[C@H](C)C(=O)[O-])cc1 ZINC001574404373 961253813 /nfs/dbraw/zinc/25/38/13/961253813.db2.gz JODSPXQURXQQHT-ZDUSSCGKSA-N -1 0 329.421 3.597 20 0 EHADRM CC(C)(C(=O)N[C@@H]1CC=C(C(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC001329291797 961263250 /nfs/dbraw/zinc/26/32/50/961263250.db2.gz GQUSIGWAJWZPPF-LLVKDONJSA-N -1 0 342.222 3.561 20 0 EHADRM Cc1nc2c(Cl)cccc2cc1C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001574424445 961362714 /nfs/dbraw/zinc/36/27/14/961362714.db2.gz VPOZKGFNMXGEDE-UHFFFAOYSA-N -1 0 341.754 3.542 20 0 EHADRM CSc1ccc(C)c(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1 ZINC000261709680 961389539 /nfs/dbraw/zinc/38/95/39/961389539.db2.gz PKQQBVUMKSIHFK-KRWDZBQOSA-N -1 0 341.432 3.541 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000262078127 961439497 /nfs/dbraw/zinc/43/94/97/961439497.db2.gz BDMLPNGGDCAWKC-OAHLLOKOSA-N -1 0 329.440 3.876 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000262138489 961493442 /nfs/dbraw/zinc/49/34/42/961493442.db2.gz DTWYROSLXQHDMK-IFXJQAMLSA-N -1 0 341.407 3.918 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1CC(C)(C)Oc2ccccc21 ZINC001332164625 961499025 /nfs/dbraw/zinc/49/90/25/961499025.db2.gz MQXPXPDWYLEVPA-OAHLLOKOSA-N -1 0 339.391 3.977 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000262158284 961509463 /nfs/dbraw/zinc/50/94/63/961509463.db2.gz PPQPBDCDFSKTGL-DLBZAZTESA-N -1 0 331.412 3.585 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CCC[C@H](F)C1)c1cccc2ccccc21 ZINC001332189044 961524314 /nfs/dbraw/zinc/52/43/14/961524314.db2.gz HKLGPXCAAZUNAK-KEYYUXOJSA-N -1 0 329.371 3.610 20 0 EHADRM Cc1cc([C@H](C)NC(=O)CCc2ccccc2C(=O)[O-])c(C)s1 ZINC000262181230 961528635 /nfs/dbraw/zinc/52/86/35/961528635.db2.gz MKSQUXRYUTWTCF-LBPRGKRZSA-N -1 0 331.437 3.873 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N2CCC[C@H](c3ccccc3)CC2)c1 ZINC000262207888 961553764 /nfs/dbraw/zinc/55/37/64/961553764.db2.gz TUGPQVNTCQDGIK-SFHVURJKSA-N -1 0 337.419 3.724 20 0 EHADRM CCC(CC)(CNC(=O)c1[nH]c2ccc(F)cc2c1Cl)C(=O)[O-] ZINC000262237173 961579865 /nfs/dbraw/zinc/57/98/65/961579865.db2.gz ZFYDBAUBJJVYLB-UHFFFAOYSA-N -1 0 340.782 3.581 20 0 EHADRM Cc1cccc(C(C)(C)NC(=O)CCc2ccccc2C(=O)[O-])c1 ZINC000262282249 961617386 /nfs/dbraw/zinc/61/73/86/961617386.db2.gz ZTYDYKBOJQENPN-UHFFFAOYSA-N -1 0 325.408 3.677 20 0 EHADRM O=C([O-])CC1CC(Nc2cccc(COCC(F)(F)C(F)F)c2)C1 ZINC001333135945 961651247 /nfs/dbraw/zinc/65/12/47/961651247.db2.gz HQFJRYPCNAGBOP-UHFFFAOYSA-N -1 0 349.324 3.769 20 0 EHADRM CC(C)[C@H](CNC(=O)N[C@H](c1ccccc1)C1CCCC1)C(=O)[O-] ZINC001588823666 961652201 /nfs/dbraw/zinc/65/22/01/961652201.db2.gz PDBVKPINVGMXHZ-DLBZAZTESA-N -1 0 332.444 3.574 20 0 EHADRM CC(C)[C@@H](CNC(=O)N[C@H](c1ccccc1)C1CCCC1)C(=O)[O-] ZINC001588823667 961652617 /nfs/dbraw/zinc/65/26/17/961652617.db2.gz PDBVKPINVGMXHZ-IAGOWNOFSA-N -1 0 332.444 3.574 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2C)cc1C1CC1 ZINC001333333172 961682619 /nfs/dbraw/zinc/68/26/19/961682619.db2.gz ZDPZIWRDUJTJTJ-UHFFFAOYSA-N -1 0 325.364 3.832 20 0 EHADRM CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001588829507 961684134 /nfs/dbraw/zinc/68/41/34/961684134.db2.gz HDEGNNOFKZTBMJ-TUAOUCFPSA-N -1 0 344.238 3.570 20 0 EHADRM CCc1nc(C)c(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)s1 ZINC000262416452 961708119 /nfs/dbraw/zinc/70/81/19/961708119.db2.gz PDXDCPJMEMFGMO-UHFFFAOYSA-N -1 0 348.424 3.752 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccccc1 ZINC000262427729 961713928 /nfs/dbraw/zinc/71/39/28/961713928.db2.gz RIBDFJLIBRDOJU-CYBMUJFWSA-N -1 0 343.379 3.578 20 0 EHADRM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000262435463 961720041 /nfs/dbraw/zinc/72/00/41/961720041.db2.gz TVGZBSLHJBOXST-GJZGRUSLSA-N -1 0 329.421 3.816 20 0 EHADRM CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC000262445995 961725949 /nfs/dbraw/zinc/72/59/49/961725949.db2.gz UDVQNXSREFITRX-CQSZACIVSA-N -1 0 333.384 3.735 20 0 EHADRM CC[C@H](Oc1ccccc1F)C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000262527294 961761134 /nfs/dbraw/zinc/76/11/34/961761134.db2.gz OVXYKDDRMAFJQQ-INIZCTEOSA-N -1 0 345.370 3.937 20 0 EHADRM COc1ccc(C(=O)N(C)C(C)(C)CC(=O)[O-])cc1-c1ccccc1 ZINC001334647496 961806680 /nfs/dbraw/zinc/80/66/80/961806680.db2.gz SCLAJPMJICWSLY-UHFFFAOYSA-N -1 0 341.407 3.688 20 0 EHADRM Cc1cc(C)cc(C2=CCN(C(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)CC2)c1 ZINC000262689332 961808579 /nfs/dbraw/zinc/80/85/79/961808579.db2.gz BUAPTTAVWGZBOM-IYARVYRRSA-N -1 0 341.451 3.810 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)NCC2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000262701710 961814398 /nfs/dbraw/zinc/81/43/98/961814398.db2.gz IHZINRUMXBLENV-HDJSIYSDSA-N -1 0 349.858 3.769 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262721788 961827372 /nfs/dbraw/zinc/82/73/72/961827372.db2.gz QDAWWLVPQPJLDL-BZSNNMDCSA-N -1 0 331.456 3.666 20 0 EHADRM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262724253 961829088 /nfs/dbraw/zinc/82/90/88/961829088.db2.gz RNLVOIZEBSSDIY-JYJNAYRXSA-N -1 0 347.455 3.680 20 0 EHADRM Cc1ccc(Br)cc1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262724632 961829225 /nfs/dbraw/zinc/82/92/25/961829225.db2.gz RRQDNGRBCGXESL-XYPYZODXSA-N -1 0 340.217 3.587 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c1 ZINC000262731666 961834335 /nfs/dbraw/zinc/83/43/35/961834335.db2.gz USZOFHKRVWYTKK-SHTZXODSSA-N -1 0 333.428 3.941 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cc(-c2ccccn2)ccc1Cl ZINC000262735167 961837049 /nfs/dbraw/zinc/83/70/49/961837049.db2.gz FJUURBQZUPOCJO-GFCCVEGCSA-N -1 0 346.814 3.727 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2csc(C(C)(C)C)n2)cc1)C(=O)[O-] ZINC000262815778 961883631 /nfs/dbraw/zinc/88/36/31/961883631.db2.gz PQLHHTWXSVMKHH-NSHDSACASA-N -1 0 346.452 3.956 20 0 EHADRM Cc1ccccc1-c1nc(C(=O)NC2(CC(=O)[O-])CCCC2)cs1 ZINC000262837426 961904204 /nfs/dbraw/zinc/90/42/04/961904204.db2.gz GODMLTQRTHSRGF-UHFFFAOYSA-N -1 0 344.436 3.636 20 0 EHADRM CC(C)(CCNC(=O)c1occc1CSc1ccccc1)C(=O)[O-] ZINC000262863108 961930224 /nfs/dbraw/zinc/93/02/24/961930224.db2.gz AWXNTYRHQCBUSL-UHFFFAOYSA-N -1 0 347.436 3.803 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)Cc2cccc(C(F)F)c2)c2ccccc21 ZINC001574538411 961931608 /nfs/dbraw/zinc/93/16/08/961931608.db2.gz LFQWPUPPCNRZCX-HZPDHXFCSA-N -1 0 345.345 3.596 20 0 EHADRM CC(C)C[C@@H](CNC(=O)NC[C@@H](Cc1ccccc1)C(C)C)C(=O)[O-] ZINC001588853076 961953168 /nfs/dbraw/zinc/95/31/68/961953168.db2.gz VILHNIWTBNKBSS-MSOLQXFVSA-N -1 0 348.487 3.547 20 0 EHADRM COc1cc(NC(=O)c2sc(C(C)(C)C)nc2C)ccc1C(=O)[O-] ZINC000262884578 961960272 /nfs/dbraw/zinc/96/02/72/961960272.db2.gz HKGIXWUZAXZJRB-UHFFFAOYSA-N -1 0 348.424 3.708 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)NCCc2ccc(Cl)cc2Cl)CC1 ZINC000262889686 961964117 /nfs/dbraw/zinc/96/41/17/961964117.db2.gz GQISQXJEARVQBK-HAQNSBGRSA-N -1 0 344.238 3.543 20 0 EHADRM CC(C)[C@H](CC(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-])c1ccccc1 ZINC000262895684 961970259 /nfs/dbraw/zinc/97/02/59/961970259.db2.gz HTQNKVTWVOZYPP-MJQMVNBJSA-N -1 0 329.440 3.528 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)[C@@H](C)c1c(F)cccc1F ZINC000262909618 961988515 /nfs/dbraw/zinc/98/85/15/961988515.db2.gz JMDAEMYYQXYLHY-QWHCGFSZSA-N -1 0 347.361 3.570 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2ccsc2C(F)F)c2ccccc21 ZINC001574558124 962000011 /nfs/dbraw/zinc/00/00/11/962000011.db2.gz NUEHNYNIWGKQBS-VXGBXAGGSA-N -1 0 337.347 3.729 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000262919242 962001385 /nfs/dbraw/zinc/00/13/85/962001385.db2.gz NWIWROKDZZHPKR-YPMHNXCESA-N -1 0 333.771 3.583 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)c2cccc(Cl)c2F)c2ccccc21 ZINC001574558200 962001784 /nfs/dbraw/zinc/00/17/84/962001784.db2.gz OTQUDSDDCUOPAW-OCCSQVGLSA-N -1 0 333.746 3.522 20 0 EHADRM CC(C)(CCNC(=O)C(C)(C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000262919608 962002150 /nfs/dbraw/zinc/00/21/50/962002150.db2.gz GBYNZIXQDVBJHI-UHFFFAOYSA-N -1 0 345.361 3.600 20 0 EHADRM CCCCO[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000262923669 962006457 /nfs/dbraw/zinc/00/64/57/962006457.db2.gz FMBCYSAVGRYEIA-KBXCAEBGSA-N -1 0 343.423 3.677 20 0 EHADRM CC(C)=CCC[C@H](C)NC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001339725323 962069165 /nfs/dbraw/zinc/06/91/65/962069165.db2.gz OMIWADMECGFJQO-WMLDXEAASA-N -1 0 330.428 3.515 20 0 EHADRM CC(C)=CCC[C@@H](C)NC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001339725319 962070123 /nfs/dbraw/zinc/07/01/23/962070123.db2.gz OMIWADMECGFJQO-RHSMWYFYSA-N -1 0 330.428 3.515 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)c1cc(Oc2ccccc2)ccn1 ZINC001574576248 962076075 /nfs/dbraw/zinc/07/60/75/962076075.db2.gz DMEFULMUQHKQBR-UHFFFAOYSA-N -1 0 348.358 3.502 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1csc(C(C)(C)C)n1 ZINC000262987289 962078469 /nfs/dbraw/zinc/07/84/69/962078469.db2.gz PZDXGJUOPURMIR-GFCCVEGCSA-N -1 0 346.452 3.556 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC001340677884 962111176 /nfs/dbraw/zinc/11/11/76/962111176.db2.gz WOWCRYKFBLLCBU-NSHDSACASA-N -1 0 333.771 3.725 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC001340794510 962111759 /nfs/dbraw/zinc/11/17/59/962111759.db2.gz BHIDQIMMJWNNJI-NEPJUHHUSA-N -1 0 331.318 3.714 20 0 EHADRM O=C([O-])C1CCC(NC(=O)Nc2ccc(-c3ccco3)cc2F)CC1 ZINC000263017550 962122893 /nfs/dbraw/zinc/12/28/93/962122893.db2.gz IPRGBDNDLXMBOY-UHFFFAOYSA-N -1 0 346.358 3.851 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(-c3cccs3)o2)ccc1O ZINC001574600127 962159405 /nfs/dbraw/zinc/15/94/05/962159405.db2.gz SUUMRUILGLLDJP-UHFFFAOYSA-N -1 0 329.333 3.664 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000263048048 962177555 /nfs/dbraw/zinc/17/75/55/962177555.db2.gz FEYPJOMQSRFILU-SJKOYZFVSA-N -1 0 329.396 3.903 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@@H](C)CCc1ccc(F)cc1)CC(=O)[O-] ZINC001588887761 962191688 /nfs/dbraw/zinc/19/16/88/962191688.db2.gz ZJYFUTYZVQRDLS-HOCLYGCPSA-N -1 0 337.435 3.648 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CC2(CCCC2)[C@H]1C(C)C)CC(=O)[O-] ZINC001588890410 962200514 /nfs/dbraw/zinc/20/05/14/962200514.db2.gz FUSHYFJYSIHKJT-DOTOQJQBSA-N -1 0 338.492 3.734 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1C[C@H](c2ccccc2)C[C@H]1C)CC(=O)[O-] ZINC001588890414 962200739 /nfs/dbraw/zinc/20/07/39/962200739.db2.gz GCXZNROAWZRKNF-SOLBZPMBSA-N -1 0 346.471 3.711 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cnn(C3CCCCC3)c2)ccc1Cl ZINC001344554046 962201577 /nfs/dbraw/zinc/20/15/77/962201577.db2.gz DGLFPEMOYAUZFB-UHFFFAOYSA-N -1 0 347.802 3.992 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(OCC2CC2)cc1 ZINC000263075113 962217706 /nfs/dbraw/zinc/21/77/06/962217706.db2.gz CGLVNADINLBRLQ-UHFFFAOYSA-N -1 0 325.364 3.734 20 0 EHADRM Cc1cccc(Oc2ccccc2C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)c1 ZINC000263081292 962224518 /nfs/dbraw/zinc/22/45/18/962224518.db2.gz CYGFZQPRDVHOOG-HOCLYGCPSA-N -1 0 339.391 3.723 20 0 EHADRM CCCC[C@@H](CC)CC(=O)N1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001345133852 962239400 /nfs/dbraw/zinc/23/94/00/962239400.db2.gz RQSPHLQPVPPNHH-CYBMUJFWSA-N -1 0 336.432 3.685 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1cccc2c(Cl)nccc12)C1CCCC1 ZINC001574620956 962247802 /nfs/dbraw/zinc/24/78/02/962247802.db2.gz JIYOMZBQRPEHTF-CQSZACIVSA-N -1 0 332.787 3.718 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)Nc2cccnc2C(=O)[O-])c1 ZINC001588906317 962281388 /nfs/dbraw/zinc/28/13/88/962281388.db2.gz YFZKPKOLKRTOEY-CYBMUJFWSA-N -1 0 326.396 3.721 20 0 EHADRM COCc1cc(NC(=O)C[C@@H](C)c2ccccc2F)cc(C(=O)[O-])c1 ZINC000263144796 962298300 /nfs/dbraw/zinc/29/83/00/962298300.db2.gz VYORYUKQCHECAG-GFCCVEGCSA-N -1 0 345.370 3.803 20 0 EHADRM Cc1oc(-c2ccccc2)c(C(=O)N2CCC(C(=O)[O-])CC2)c1C ZINC000263192947 962348296 /nfs/dbraw/zinc/34/82/96/962348296.db2.gz TUBDHHFKFFDCIU-UHFFFAOYSA-N -1 0 327.380 3.500 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@@H](C)Cc2cccc(F)c2)c1 ZINC000263203760 962359518 /nfs/dbraw/zinc/35/95/18/962359518.db2.gz KJNLMMFKMBTLGO-QWHCGFSZSA-N -1 0 329.371 3.831 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C2(c3cccs3)CCCCC2)C1 ZINC000263205422 962361577 /nfs/dbraw/zinc/36/15/77/962361577.db2.gz KRFLLUUUVQTQAR-QGZVFWFLSA-N -1 0 335.469 3.663 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1 ZINC000263220267 962373228 /nfs/dbraw/zinc/37/32/28/962373228.db2.gz OXMXGMISESFRSA-GFCCVEGCSA-N -1 0 345.370 3.594 20 0 EHADRM Cc1cc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)sc1-c1ccc(F)cc1 ZINC000263234329 962382332 /nfs/dbraw/zinc/38/23/32/962382332.db2.gz SLASRTGEBIAEOT-SMDDNHRTSA-N -1 0 347.411 3.798 20 0 EHADRM CC1(C)[C@H](c2ccccc2)CCN1C(=O)Cc1ccccc1C(=O)[O-] ZINC000263249187 962393819 /nfs/dbraw/zinc/39/38/19/962393819.db2.gz SOBOXDYEWXKORN-SFHVURJKSA-N -1 0 337.419 3.722 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)CCCCc2cccc(O)c2)cc1 ZINC001347548533 962398794 /nfs/dbraw/zinc/39/87/94/962398794.db2.gz SKGZDSZIEBQMJG-CQSZACIVSA-N -1 0 341.407 3.932 20 0 EHADRM CCC(CC)(CNC(=O)c1cccc(C)c1C(F)(F)F)C(=O)[O-] ZINC001347548559 962398874 /nfs/dbraw/zinc/39/88/74/962398874.db2.gz SXBDBLWPCXLUQW-UHFFFAOYSA-N -1 0 331.334 3.635 20 0 EHADRM CC(C)c1ccc(C[C@H](C)NC(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC000263283065 962422728 /nfs/dbraw/zinc/42/27/28/962422728.db2.gz OWXUMYSYNJUTQL-HNNXBMFYSA-N -1 0 339.435 3.798 20 0 EHADRM Cc1ccc(NC(=O)CCCCC(=O)[O-])cc1NC(=O)C(C)(C)C ZINC000263298901 962439354 /nfs/dbraw/zinc/43/93/54/962439354.db2.gz MZUJARWSJKGLIQ-UHFFFAOYSA-N -1 0 334.416 3.563 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)Cc2coc3ccccc23)c2ccccc21 ZINC001574655766 962455380 /nfs/dbraw/zinc/45/53/80/962455380.db2.gz GMJRWALSCGVCQT-MRXNPFEDSA-N -1 0 335.359 3.580 20 0 EHADRM CC(C)O[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC001588929814 962467870 /nfs/dbraw/zinc/46/78/70/962467870.db2.gz YISSCEZUCFVFMY-MRXNPFEDSA-N -1 0 331.343 3.629 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000263346074 962499286 /nfs/dbraw/zinc/49/92/86/962499286.db2.gz UAKILOKQZOUVCS-KCPJHIHWSA-N -1 0 329.421 3.987 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)NCc2ccc(Cl)cc2Cl)co1 ZINC001574665647 962503913 /nfs/dbraw/zinc/50/39/13/962503913.db2.gz KQUCQRFSCDVXNL-ARJAWSKDSA-N -1 0 340.162 3.614 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)Nc2cccc(CC(F)(F)F)c2)co1 ZINC001574666554 962520621 /nfs/dbraw/zinc/52/06/21/962520621.db2.gz DFDZMIBKANRQQA-SNAWJCMRSA-N -1 0 339.269 3.735 20 0 EHADRM CC(C)Oc1ccccc1[C@H](C)NC(=O)C1(C(=O)[O-])CCCCC1 ZINC001588940678 962528479 /nfs/dbraw/zinc/52/84/79/962528479.db2.gz STTYBFMAEVPDEI-AWEZNQCLSA-N -1 0 333.428 3.686 20 0 EHADRM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)c2cc(C(=O)[O-])ccn2)cc1 ZINC000263378239 962534567 /nfs/dbraw/zinc/53/45/67/962534567.db2.gz BXNGYELCGXHUAO-RDTXWAMCSA-N -1 0 338.407 3.702 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N(Cc1ccccc1)CC(C)(C)C ZINC000263385801 962544495 /nfs/dbraw/zinc/54/44/95/962544495.db2.gz CPDGRFCOZDDTOO-UHFFFAOYSA-N -1 0 343.423 3.904 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N(C)c1ccc(C(C)(C)C)cc1 ZINC000263400482 962561173 /nfs/dbraw/zinc/56/11/73/962561173.db2.gz GKVOPWAHUFUAMW-UHFFFAOYSA-N -1 0 329.396 3.789 20 0 EHADRM CCCN(C(=O)c1cccc(C(=O)[O-])c1)[C@H]1CCCc2cccnc21 ZINC000263400365 962561566 /nfs/dbraw/zinc/56/15/66/962561566.db2.gz GJBCNDOHHQSNTQ-KRWDZBQOSA-N -1 0 338.407 3.710 20 0 EHADRM O=C([O-])CC1(NC(=O)c2ccc(F)c(C(F)F)c2)CCCCC1 ZINC001574678167 962568530 /nfs/dbraw/zinc/56/85/30/962568530.db2.gz XWKUEBCJBFNIIM-UHFFFAOYSA-N -1 0 329.318 3.671 20 0 EHADRM O=C([O-])C1CCC(Nc2cccc3c2CN(c2ccccn2)C3)CC1 ZINC000263428835 962602892 /nfs/dbraw/zinc/60/28/92/962602892.db2.gz RKLRQXVKTLKYGC-UHFFFAOYSA-N -1 0 337.423 3.657 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N1CCC[C@@]1(C)C(=O)[O-] ZINC000263445751 962629534 /nfs/dbraw/zinc/62/95/34/962629534.db2.gz NHCDUEBXJXWNSP-FQEVSTJZSA-N -1 0 337.375 3.974 20 0 EHADRM CC(C)c1ccc(CCNC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)cc1 ZINC001588966549 962648062 /nfs/dbraw/zinc/64/80/62/962648062.db2.gz BYVJTMLKGISNBW-UHFFFAOYSA-N -1 0 331.456 3.606 20 0 EHADRM CC(C)c1ccc2occ(C(=O)N3CC[C@H](C)[C@H](C(=O)[O-])C3)c2c1 ZINC001588969389 962662931 /nfs/dbraw/zinc/66/29/31/962662931.db2.gz BWCXJFSOOJESPI-SWLSCSKDSA-N -1 0 329.396 3.739 20 0 EHADRM O=C([O-])c1ccc(CNc2cccc(OC[C@@H]3CCCO3)c2)cc1 ZINC000263493029 962678361 /nfs/dbraw/zinc/67/83/61/962678361.db2.gz RVXYUCGHMLYPSW-SFHVURJKSA-N -1 0 327.380 3.555 20 0 EHADRM CN(C(=O)NC1CCC(C(=O)[O-])CC1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000263499745 962682752 /nfs/dbraw/zinc/68/27/52/962682752.db2.gz VCNPPGSGCZXMBM-HIEASXQVSA-N -1 0 344.455 3.608 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2cc3ccncc3s2)c1 ZINC001574709363 962695236 /nfs/dbraw/zinc/69/52/36/962695236.db2.gz DJUNRPMXOHXFDB-UHFFFAOYSA-N -1 0 326.377 3.566 20 0 EHADRM Cc1oc(-c2ccccc2)c(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1C ZINC000263529451 962710107 /nfs/dbraw/zinc/71/01/07/962710107.db2.gz LRNCUIGKESRFRG-BLLLJJGKSA-N -1 0 341.407 3.746 20 0 EHADRM CCc1ccccc1CC(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000263551852 962724295 /nfs/dbraw/zinc/72/42/95/962724295.db2.gz WUXFDBDHSJRBRF-UHFFFAOYSA-N -1 0 341.407 3.674 20 0 EHADRM C[C@@H](Oc1ccc(C(=O)N2CCC[C@H]2C(=O)[O-])cc1)c1ccccc1 ZINC000263564070 962732858 /nfs/dbraw/zinc/73/28/58/962732858.db2.gz DUJCUDUKISMBTP-KDOFPFPSSA-N -1 0 339.391 3.516 20 0 EHADRM C[C@@H](C(=O)NCC1(CC(=O)[O-])CCCC1)c1ccc(Cl)s1 ZINC001517397338 962782909 /nfs/dbraw/zinc/78/29/09/962782909.db2.gz FUYSTBOTLNICQI-SNVBAGLBSA-N -1 0 329.849 3.656 20 0 EHADRM Cc1ccc(C2=CCN(C(=O)c3ccc(C(=O)[O-])cc3F)CC2)cc1 ZINC001526694594 962875111 /nfs/dbraw/zinc/87/51/11/962875111.db2.gz UGGSPNPAWXWWKX-UHFFFAOYSA-N -1 0 339.366 3.762 20 0 EHADRM C=C/C=C/CCNC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001573350154 962965542 /nfs/dbraw/zinc/96/55/42/962965542.db2.gz DEXDAXILGGQYQE-ONEGZZNKSA-N -1 0 343.427 3.629 20 0 EHADRM O=C([O-])[C@]1(C(F)(F)F)CCN(Cc2cc(Cl)sc2Cl)C1 ZINC000308352168 963269761 /nfs/dbraw/zinc/26/97/61/963269761.db2.gz SRIYHZOZTSMKOH-JTQLQIEISA-N -1 0 348.173 3.894 20 0 EHADRM C[C@@H](OCc1ccccc1)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000309615081 963358586 /nfs/dbraw/zinc/35/85/86/963358586.db2.gz DRLDGDQDZQLTCB-LLVKDONJSA-N -1 0 333.771 3.582 20 0 EHADRM CN(Cc1cccc(Cl)c1)C(=O)NCCCCCCC(=O)[O-] ZINC000314737432 963800852 /nfs/dbraw/zinc/80/08/52/963800852.db2.gz BLSPKTBSXKXAFC-UHFFFAOYSA-N -1 0 326.824 3.517 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)[C@H]2Cc3ccccc3S2)s1 ZINC000315529734 963912698 /nfs/dbraw/zinc/91/26/98/963912698.db2.gz KNORYOYMHCLDEV-CYBMUJFWSA-N -1 0 333.434 3.664 20 0 EHADRM Cc1ccc(OCCCC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1C ZINC000237711295 967784942 /nfs/dbraw/zinc/78/49/42/967784942.db2.gz BUIVSDQRRDPPAE-KRWDZBQOSA-N -1 0 347.455 3.708 20 0 EHADRM Cc1cc2[nH]c(C(=O)N3CCCC[C@@H]3CCC(=O)[O-])cc2c(C)c1 ZINC000237621178 967784963 /nfs/dbraw/zinc/78/49/63/967784963.db2.gz CHFDONIXRFKNTN-CQSZACIVSA-N -1 0 328.412 3.644 20 0 EHADRM C[C@H](CC(=O)N([C@H](C)C(=O)[O-])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000262679519 967825142 /nfs/dbraw/zinc/82/51/42/967825142.db2.gz ZJBIATYILNFMFD-GHMZBOCLSA-N -1 0 343.345 3.663 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])C[N@H+](Cc2ccc(Br)c(Cl)c2)C1 ZINC000263061047 967841527 /nfs/dbraw/zinc/84/15/27/967841527.db2.gz MSKHCZWPOXPARC-MWLCHTKSSA-N -1 0 346.652 3.645 20 0 EHADRM O=C([O-])C1CCC(NC(=O)NC[C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000263428094 967891175 /nfs/dbraw/zinc/89/11/75/967891175.db2.gz YHKXLQPACOTJFF-FPQWYMTMSA-N -1 0 344.455 3.513 20 0 EHADRM CC(C)COc1ccc(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)cc1 ZINC000325068172 968036453 /nfs/dbraw/zinc/03/64/53/968036453.db2.gz UUNAIIOCZOOGGY-HNNXBMFYSA-N -1 0 335.444 3.588 20 0 EHADRM Cc1sc(NC(=O)NCc2ccc(C(=O)[O-])cc2)nc1C(C)C ZINC000572735663 968450152 /nfs/dbraw/zinc/45/01/52/968450152.db2.gz CQIDEWQCQABXQH-UHFFFAOYSA-N -1 0 333.413 3.595 20 0 EHADRM Cc1ccc(/C=C/CC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655576078 968684971 /nfs/dbraw/zinc/68/49/71/968684971.db2.gz OXAQSUIJOKTLQR-BJUDOINKSA-N -1 0 329.440 3.650 20 0 EHADRM C[C@@H](NC(=O)N1C[C@@H](C)[C@H]1c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655905262 968712722 /nfs/dbraw/zinc/71/27/22/968712722.db2.gz RSJMCCQFUKGDFY-GJVDQKBNSA-N -1 0 344.455 3.524 20 0 EHADRM Cc1ccc(CN(CC2CC2)C(=O)C2(C(=O)[O-])CCCCCC2)cn1 ZINC000663058176 968775984 /nfs/dbraw/zinc/77/59/84/968775984.db2.gz SAMYOEYODKZYBE-UHFFFAOYSA-N -1 0 344.455 3.554 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)c1ccc([C@@H]2CCCOC2)cc1)C(=O)[O-] ZINC000668289165 968851583 /nfs/dbraw/zinc/85/15/83/968851583.db2.gz QENMPJUXSAINOZ-SJORKVTESA-N -1 0 347.455 3.590 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Nc1ccc(OCC2CC2)cc1 ZINC000899311505 969417816 /nfs/dbraw/zinc/41/78/16/969417816.db2.gz OOSGJKCTPLGPNW-MRXNPFEDSA-N -1 0 346.427 3.727 20 0 EHADRM Cc1ccc(SC2CCCC2)c(C(=O)Nc2cc(C(=O)[O-])n[nH]2)c1 ZINC000902676770 969554765 /nfs/dbraw/zinc/55/47/65/969554765.db2.gz YIULEMDQKBTWMU-UHFFFAOYSA-N -1 0 345.424 3.703 20 0 EHADRM CC(C)N(CC1CCC1)C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001121845082 969680209 /nfs/dbraw/zinc/68/02/09/969680209.db2.gz WHJWIMJBLLMGNA-DLBZAZTESA-N -1 0 330.428 3.520 20 0 EHADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)c2ccc(C3=CCCC3)cc2)n1 ZINC001588627492 969890773 /nfs/dbraw/zinc/89/07/73/969890773.db2.gz USEZYKXCSHTEHG-UHFFFAOYSA-N -1 0 339.395 3.522 20 0 EHADRM Cc1cccc([C@@H](NC(=O)Nc2snc3ccccc32)C(=O)[O-])c1 ZINC001594393295 970218613 /nfs/dbraw/zinc/21/86/13/970218613.db2.gz MRQLFXUTGGDDFS-CQSZACIVSA-N -1 0 341.392 3.552 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)[nH]1 ZINC000319386576 970530940 /nfs/dbraw/zinc/53/09/40/970530940.db2.gz CORHGJHUWVOLES-UHFFFAOYSA-N -1 0 332.665 3.637 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(OC(F)F)cc2)ccc1Cl ZINC000319668581 970560162 /nfs/dbraw/zinc/56/01/62/970560162.db2.gz SACOVODWSFGMGB-UHFFFAOYSA-N -1 0 341.697 3.892 20 0 EHADRM CCc1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)c(C(=O)[O-])c1 ZINC000319947967 970592915 /nfs/dbraw/zinc/59/29/15/970592915.db2.gz CBCAMKWRIYHACX-UHFFFAOYSA-N -1 0 339.178 3.901 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)CSc1ccccc1Cl ZINC000319981421 970596058 /nfs/dbraw/zinc/59/60/58/970596058.db2.gz KQGDIUDPAMXMNE-UHFFFAOYSA-N -1 0 347.823 3.720 20 0 EHADRM O=C([O-])c1c(NC(=O)/C=C\c2cccc(F)c2)sc2c1CCC2 ZINC000320302857 970645808 /nfs/dbraw/zinc/64/58/08/970645808.db2.gz KKXCJQWEPVLFDQ-FPLPWBNLSA-N -1 0 331.368 3.726 20 0 EHADRM CCC(CC)N(CCOC)C(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000320444862 970664616 /nfs/dbraw/zinc/66/46/16/970664616.db2.gz UNNLQHOPHWEMBK-UHFFFAOYSA-N -1 0 342.823 3.707 20 0 EHADRM CCCCCC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000320619344 970686208 /nfs/dbraw/zinc/68/62/08/970686208.db2.gz ZFDKVVSDAVBRTO-LLVKDONJSA-N -1 0 347.864 3.675 20 0 EHADRM O=C([O-])c1c(NC(=O)CSCc2ccccc2)sc2c1CCC2 ZINC000320731450 970706763 /nfs/dbraw/zinc/70/67/63/970706763.db2.gz XKBSETBDMURONU-UHFFFAOYSA-N -1 0 347.461 3.807 20 0 EHADRM CCN(C(=O)N[C@H](C)CC(=O)[O-])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001610270466 970710847 /nfs/dbraw/zinc/71/08/47/970710847.db2.gz BMQZQSWJRMVJSB-MNOVXSKESA-N -1 0 346.349 3.661 20 0 EHADRM Cc1c(NC(=O)Nc2cccc(CCC(=O)[O-])c2)n[nH]c1C(C)C ZINC001600009250 970748761 /nfs/dbraw/zinc/74/87/61/970748761.db2.gz ULNYGLBUKBILTF-UHFFFAOYSA-N -1 0 330.388 3.503 20 0 EHADRM CSc1cc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)c(C)o1 ZINC001604962955 972548523 /nfs/dbraw/zinc/54/85/23/972548523.db2.gz LXTQQNSGBNOYKW-LBPRGKRZSA-N -1 0 331.393 3.529 20 0 EHADRM CSc1cc(N[C@H](CCC(C)(C)C)C(=O)[O-])nc(SC)n1 ZINC001604963103 972551059 /nfs/dbraw/zinc/55/10/59/972551059.db2.gz YHPDHYJYBWLXQT-SECBINFHSA-N -1 0 329.491 3.612 20 0 EHADRM Cc1ccc2c(CSc3nc(C(=O)[O-])cs3)cc(=O)oc2c1 ZINC000393307639 972584179 /nfs/dbraw/zinc/58/41/79/972584179.db2.gz FZFWWNQULFMIKZ-UHFFFAOYSA-N -1 0 333.390 3.548 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2CCC(F)(F)C2)ccc1Br ZINC000394169916 972678496 /nfs/dbraw/zinc/67/84/96/972678496.db2.gz JYZBFHMKNIVUIK-ZETCQYMHSA-N -1 0 348.143 3.521 20 0 EHADRM O=C([O-])[C@H](C(=O)N1CCC(=Cc2cccc(F)c2)CC1)C1CCCC1 ZINC001605891297 972686502 /nfs/dbraw/zinc/68/65/02/972686502.db2.gz PBFOBZQQVJZBGL-SFHVURJKSA-N -1 0 345.414 3.723 20 0 EHADRM CC1(C)CCC[C@@H]1[C@H]1CCN(C(=O)c2coc(/C=C/C(=O)[O-])c2)C1 ZINC001603329080 972687024 /nfs/dbraw/zinc/68/70/24/972687024.db2.gz XWDJCQYUHRRJEW-PXONKACGSA-N -1 0 331.412 3.666 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)NCc1ccccc1C(=O)[O-] ZINC001605076514 972703799 /nfs/dbraw/zinc/70/37/99/972703799.db2.gz CSRMLQDMUPCSHT-UHFFFAOYSA-N -1 0 327.311 3.509 20 0 EHADRM C[C@]1(CC(=O)N2CCCc3cc(C(=O)[O-])ccc32)CC1(Cl)Cl ZINC001603339326 972718620 /nfs/dbraw/zinc/71/86/20/972718620.db2.gz AZZLGIDZVBVXHH-HNNXBMFYSA-N -1 0 342.222 3.638 20 0 EHADRM Cc1cc(CCNC(=O)Nc2ccccc2CC(=O)[O-])ccc1Cl ZINC001605165613 972863492 /nfs/dbraw/zinc/86/34/92/972863492.db2.gz OLEDQFFRKBGFCT-UHFFFAOYSA-N -1 0 346.814 3.640 20 0 EHADRM Cc1oc(Br)cc1C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC000396481545 972902419 /nfs/dbraw/zinc/90/24/19/972902419.db2.gz WRZWXHDENWZSNQ-UHFFFAOYSA-N -1 0 338.157 3.609 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC(=O)[C@]2(C(=O)[O-])CC2(C)C)C1 ZINC001603375230 972919961 /nfs/dbraw/zinc/91/99/61/972919961.db2.gz MZRPGMMZVSJGCL-YEOLMYPVSA-N -1 0 329.440 3.576 20 0 EHADRM Cc1cc(OCC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)ccc1Cl ZINC000396635357 972926319 /nfs/dbraw/zinc/92/63/19/972926319.db2.gz OJRYSJYZPKNWLU-GFCCVEGCSA-N -1 0 347.798 3.854 20 0 EHADRM Cc1cc(NC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)cc(C(F)(F)F)c1 ZINC001605201124 972929825 /nfs/dbraw/zinc/92/98/25/972929825.db2.gz ZVRIKQWFMJMMTQ-WDEREUQCSA-N -1 0 344.333 3.731 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCCc1ccc2c(c1)CCCC2 ZINC001603379975 972944912 /nfs/dbraw/zinc/94/49/12/972944912.db2.gz AZQZVXIXOXYSJX-KXBFYZLASA-N -1 0 343.467 3.600 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1)CC(F)(F)F ZINC000396900046 972948954 /nfs/dbraw/zinc/94/89/54/972948954.db2.gz CQEYJSPUJBSXMC-NXEZZACHSA-N -1 0 332.322 3.585 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001603380872 972954120 /nfs/dbraw/zinc/95/41/20/972954120.db2.gz RKLFOXBMFVBKDM-IIYDPXPESA-N -1 0 339.395 3.578 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])s1 ZINC001605216558 972960495 /nfs/dbraw/zinc/96/04/95/972960495.db2.gz DEMMBTRNWDZMMZ-SECBINFHSA-N -1 0 349.399 3.667 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)N2CCC3(CCCC3)CC2)c2ccccc21 ZINC001605976473 972998542 /nfs/dbraw/zinc/99/85/42/972998542.db2.gz AEGWVHCJWBDESP-IAGOWNOFSA-N -1 0 342.439 3.665 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)Cc2cccc(C3CC3)c2)c2ccccc21 ZINC001605997431 973067550 /nfs/dbraw/zinc/06/75/50/973067550.db2.gz KCGIJFDXMMWXHS-SFHVURJKSA-N -1 0 335.403 3.712 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001605277965 973073252 /nfs/dbraw/zinc/07/32/52/973073252.db2.gz YDZMWWQNSAGMCX-CVEARBPZSA-N -1 0 329.783 3.691 20 0 EHADRM Cc1ccc2cc(C(=O)N[C@H]3C[C@@H](C(=O)[O-])c4ccccc43)[nH]c2c1 ZINC001605314477 973139675 /nfs/dbraw/zinc/13/96/75/973139675.db2.gz PCIMADAZHDPLPL-WBVHZDCISA-N -1 0 334.375 3.519 20 0 EHADRM Cc1cccc([C@H](NC(=O)Nc2cnc(C(F)F)c(C)c2)C(=O)[O-])c1 ZINC001605327236 973166119 /nfs/dbraw/zinc/16/61/19/973166119.db2.gz BZTABKNVRXKHKE-AWEZNQCLSA-N -1 0 349.337 3.583 20 0 EHADRM Cc1cccc([C@H](NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)C(=O)[O-])c1 ZINC001605328959 973191209 /nfs/dbraw/zinc/19/12/09/973191209.db2.gz RHZUAMJTHNRLPD-IPJJNNNSSA-N -1 0 349.430 3.531 20 0 EHADRM C[C@H](NC(=O)c1csc2c1CC[C@H](C)C2)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603433292 973191448 /nfs/dbraw/zinc/19/14/48/973191448.db2.gz CTPDIUHSLDTFSC-LWWSYDQCSA-N -1 0 349.496 3.738 20 0 EHADRM Cc1cccc([C@H](NC(=O)Nc2cccc(OC(C)C)c2)C(=O)[O-])c1 ZINC001605329198 973194252 /nfs/dbraw/zinc/19/42/52/973194252.db2.gz VIRVCQXVNQSHLC-KRWDZBQOSA-N -1 0 342.395 3.730 20 0 EHADRM Cc1cccc([C@H](NCC(=O)Nc2ccc3ccccc3c2)C(=O)[O-])c1 ZINC001605329991 973204745 /nfs/dbraw/zinc/20/47/45/973204745.db2.gz MYSYJEORZHXRTB-FQEVSTJZSA-N -1 0 348.402 3.502 20 0 EHADRM Cc1ccccc1COC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC001605356430 973272201 /nfs/dbraw/zinc/27/22/01/973272201.db2.gz YEUKKLAJYIZFAA-INIZCTEOSA-N -1 0 325.364 3.710 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)c1cccc(C(=O)[O-])c1)C(C)(C)C ZINC001605360679 973295945 /nfs/dbraw/zinc/29/59/45/973295945.db2.gz XIVRYRVXWWWBFA-INIZCTEOSA-N -1 0 326.396 3.605 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)c1cc(Cl)nc(C(C)(C)C)c1)C(=O)[O-] ZINC000400755961 973312999 /nfs/dbraw/zinc/31/29/99/973312999.db2.gz XNMUHXPXJKPLPT-ZYHUDNBSSA-N -1 0 340.851 3.652 20 0 EHADRM CO[C@@H](CNC(=O)Nc1ccccc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001604481081 973377396 /nfs/dbraw/zinc/37/73/96/973377396.db2.gz IIENFSKFVKCWBF-HNNXBMFYSA-N -1 0 348.786 3.547 20 0 EHADRM O=C([O-])CC[C@@H]1Cc2ccccc2N(CCCC2CCOCC2)C1 ZINC001606135638 973381849 /nfs/dbraw/zinc/38/18/49/973381849.db2.gz JGGVNWXVCJGMAJ-QGZVFWFLSA-N -1 0 331.456 3.737 20 0 EHADRM Cc1nc(C2CCCCC2)sc1C(=O)N1CCC[C@]1(C)C(=O)[O-] ZINC001605402788 973391244 /nfs/dbraw/zinc/39/12/44/973391244.db2.gz IRIFDAWVDOGMNI-QGZVFWFLSA-N -1 0 336.457 3.579 20 0 EHADRM Cc1nc(Cl)ccc1NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001605408289 973403981 /nfs/dbraw/zinc/40/39/81/973403981.db2.gz NNWRXPRRYJBTOO-UHFFFAOYSA-N -1 0 333.775 3.705 20 0 EHADRM O=C([O-])CCCCCNC(=O)N(O)Cc1cc(Cl)cc(Cl)c1 ZINC001606147539 973406476 /nfs/dbraw/zinc/40/64/76/973406476.db2.gz NSANCKMUGOLQFD-UHFFFAOYSA-N -1 0 349.214 3.539 20 0 EHADRM Cc1nc2c(F)cccc2cc1C(=O)Nc1sccc1C(=O)[O-] ZINC001605417084 973430858 /nfs/dbraw/zinc/43/08/58/973430858.db2.gz SWVMJHLZXRRUCW-UHFFFAOYSA-N -1 0 330.340 3.694 20 0 EHADRM CC[C@H](CNC(=O)C(CC)(CC)C(=O)[O-])Oc1cccc(Cl)c1 ZINC001603549813 973613880 /nfs/dbraw/zinc/61/38/80/973613880.db2.gz CMZAKNACHUIBAF-CYBMUJFWSA-N -1 0 341.835 3.505 20 0 EHADRM CC[C@H](CNC(=O)C(CC)(CC)C(=O)[O-])Oc1ccccc1Cl ZINC001603550920 973622305 /nfs/dbraw/zinc/62/23/05/973622305.db2.gz UILAASWZTWOKAA-GFCCVEGCSA-N -1 0 341.835 3.505 20 0 EHADRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc2c(c1)CCCCC2 ZINC000405247821 973801375 /nfs/dbraw/zinc/80/13/75/973801375.db2.gz JBNMSVMNSLDVQM-DOTOQJQBSA-N -1 0 330.428 3.720 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)[C@@H](C)c2cc3ccccc3o2)C1 ZINC001603593977 973814036 /nfs/dbraw/zinc/81/40/36/973814036.db2.gz NUMGYZSIDGZRDQ-DJJJIMSYSA-N -1 0 329.396 3.640 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)Nc1cccc(Cl)c1Cl)CC1CC1 ZINC000405306463 973821920 /nfs/dbraw/zinc/82/19/20/973821920.db2.gz KZAYLYAHFHOTDX-SECBINFHSA-N -1 0 331.199 3.616 20 0 EHADRM O=C([O-])[C@H](CNC(=O)Nc1cccc(Cl)c1Cl)CC1CC1 ZINC000405306465 973822256 /nfs/dbraw/zinc/82/22/56/973822256.db2.gz KZAYLYAHFHOTDX-VIFPVBQESA-N -1 0 331.199 3.616 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(C)c(Cl)c2F)C1 ZINC001603601754 973858733 /nfs/dbraw/zinc/85/87/33/973858733.db2.gz LTZLELLNFFHKKC-MRXNPFEDSA-N -1 0 327.783 3.505 20 0 EHADRM CC[C@H]1CCc2nc(NC(=O)c3coc(/C=C/C(=O)[O-])c3)sc2C1 ZINC001603625087 973933443 /nfs/dbraw/zinc/93/34/43/973933443.db2.gz RQZOSBHMODBLBP-RWCYGVJQSA-N -1 0 346.408 3.601 20 0 EHADRM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCCCCC(=O)[O-] ZINC000414623584 973942406 /nfs/dbraw/zinc/94/24/06/973942406.db2.gz HPIFVYOGBZYONQ-MSOLQXFVSA-N -1 0 346.471 3.999 20 0 EHADRM CCC[C@H](C)[C@H]1CCCN1C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001603633130 973957598 /nfs/dbraw/zinc/95/75/98/973957598.db2.gz WZUOSNXICCFGBC-XAUMDUMWSA-N -1 0 346.471 3.639 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000417726905 973966579 /nfs/dbraw/zinc/96/65/79/973966579.db2.gz KXHNHHREFIDGFE-UHFFFAOYSA-N -1 0 347.440 3.500 20 0 EHADRM CC(C)(CCNC(=O)Nc1cc(C(F)F)ccc1Cl)C(=O)[O-] ZINC000424386779 974024662 /nfs/dbraw/zinc/02/46/62/974024662.db2.gz WIVDTUVDDALPBP-UHFFFAOYSA-N -1 0 334.750 3.900 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)C1(c2ccc(F)cc2)CCCC1 ZINC001606523352 974029042 /nfs/dbraw/zinc/02/90/42/974029042.db2.gz LZEASRDNNDCIIQ-UHFFFAOYSA-N -1 0 341.382 3.652 20 0 EHADRM Cc1c2cccc(Cl)c2sc1CN[C@@H](C(=O)[O-])c1ccnn1C ZINC000424617119 974039922 /nfs/dbraw/zinc/03/99/22/974039922.db2.gz HIZYVQHWWCWHAT-CQSZACIVSA-N -1 0 349.843 3.512 20 0 EHADRM O=C([O-])c1cccnc1NC(=O)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC001606529116 974042481 /nfs/dbraw/zinc/04/24/81/974042481.db2.gz ZHNJCBMKOYQJTO-CMPLNLGQSA-N -1 0 348.761 3.705 20 0 EHADRM O=C([O-])c1cccc(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)c1 ZINC000426695469 974044894 /nfs/dbraw/zinc/04/48/94/974044894.db2.gz JIXBTPLEMOARRD-UHFFFAOYSA-N -1 0 327.277 3.833 20 0 EHADRM Cc1cc(C)cc([C@H](NCc2ccc(Br)o2)C(=O)[O-])c1 ZINC000426757982 974046360 /nfs/dbraw/zinc/04/63/60/974046360.db2.gz GFFVYGVMIUFIQD-AWEZNQCLSA-N -1 0 338.201 3.574 20 0 EHADRM O=C([O-])[C@@H](NCc1cnc(-c2ccccc2)s1)c1ccsc1 ZINC000426790273 974047276 /nfs/dbraw/zinc/04/72/76/974047276.db2.gz CESXTNWOKFMLEE-AWEZNQCLSA-N -1 0 330.434 3.787 20 0 EHADRM O=C([O-])[C@@H](NCc1ccc(OCC(F)(F)F)cc1)c1cccs1 ZINC000426823087 974049468 /nfs/dbraw/zinc/04/94/68/974049468.db2.gz ASLDNSVAZRRGAY-ZDUSSCGKSA-N -1 0 345.342 3.605 20 0 EHADRM COCc1cc(NC(=O)CCc2ccc(Cl)cc2)cc(C(=O)[O-])c1 ZINC000427706579 974056537 /nfs/dbraw/zinc/05/65/37/974056537.db2.gz MVMDVIBKAGFAPR-UHFFFAOYSA-N -1 0 347.798 3.756 20 0 EHADRM C[C@@H](C(=O)[O-])N(C)C(=O)CSc1cccc2cccc(Cl)c21 ZINC000427971768 974058681 /nfs/dbraw/zinc/05/86/81/974058681.db2.gz LNKQCGXVTWXJSH-JTQLQIEISA-N -1 0 337.828 3.517 20 0 EHADRM O=C([O-])c1cc(NC(=O)/C=C/c2ccsc2C(F)(F)F)ccn1 ZINC001605668050 974068334 /nfs/dbraw/zinc/06/83/34/974068334.db2.gz MKHRVZLOVLHBPR-OWOJBTEDSA-N -1 0 342.298 3.512 20 0 EHADRM O=C([O-])c1cccc(NC(=O)CCc2cccc(C(F)(F)F)c2)c1 ZINC000431650469 974069984 /nfs/dbraw/zinc/06/99/84/974069984.db2.gz CZFYAALMIYMPEW-UHFFFAOYSA-N -1 0 337.297 3.975 20 0 EHADRM Cc1ccc(C)c(SCC(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])c1 ZINC000432122726 974090172 /nfs/dbraw/zinc/09/01/72/974090172.db2.gz OWAATURPNIRDPP-KSSFIOAISA-N -1 0 335.469 3.545 20 0 EHADRM COc1ccc(Br)c(/C=C/c2ncc(C(=O)[O-])s2)c1 ZINC000439157327 974106210 /nfs/dbraw/zinc/10/62/10/974106210.db2.gz YAEORHPEIGFPNG-GORDUTHDSA-N -1 0 340.198 3.783 20 0 EHADRM CCc1ccccc1C(=O)N[C@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC000448989452 974129563 /nfs/dbraw/zinc/12/95/63/974129563.db2.gz GTTHWLXOYIZARZ-LJQANCHMSA-N -1 0 329.371 3.508 20 0 EHADRM Cc1cc(F)cc([C@]2(F)CCN(C(=O)c3ccc(C(=O)[O-])cc3)C2)c1 ZINC000450545522 974148475 /nfs/dbraw/zinc/14/84/75/974148475.db2.gz YHLPHMWYCMECTN-IBGZPJMESA-N -1 0 345.345 3.543 20 0 EHADRM C[C@@H]1CCC[C@@H](C(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)C1 ZINC000455867478 974156254 /nfs/dbraw/zinc/15/62/54/974156254.db2.gz OVJTXPNYWOVQOT-CRAIPNDOSA-N -1 0 343.467 3.992 20 0 EHADRM Cc1cc(C(=O)N(Cc2ccccc2)[C@H](C)C(=O)[O-])c(C)n1C1CC1 ZINC000455866005 974156281 /nfs/dbraw/zinc/15/62/81/974156281.db2.gz AFKXKSQSHADJEX-OAHLLOKOSA-N -1 0 340.423 3.555 20 0 EHADRM CCC[C@@H](C)CC(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000455919982 974168927 /nfs/dbraw/zinc/16/89/27/974168927.db2.gz HQLJVRBGWNGPDL-YGRLFVJLSA-N -1 0 331.334 3.931 20 0 EHADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N(C)c1ccc(C(C)C)cc1 ZINC000477393082 974204841 /nfs/dbraw/zinc/20/48/41/974204841.db2.gz AUBANHFKLWTZLP-UHFFFAOYSA-N -1 0 347.436 3.642 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(OCC3CC3)cc2)c(F)c1 ZINC000478828876 974208250 /nfs/dbraw/zinc/20/82/50/974208250.db2.gz UWEYHQRBBGQIMU-UHFFFAOYSA-N -1 0 329.327 3.565 20 0 EHADRM O=C(/C=C/C1CCOCC1)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000492366968 974258197 /nfs/dbraw/zinc/25/81/97/974258197.db2.gz JGYQCRKUTXYYBZ-DAFODLJHSA-N -1 0 331.393 3.521 20 0 EHADRM Cc1sc(N2CCC(Oc3ccc(C)cc3)CC2)nc1C(=O)[O-] ZINC000514864912 974293765 /nfs/dbraw/zinc/29/37/65/974293765.db2.gz OUESYCLOVYJYLN-UHFFFAOYSA-N -1 0 332.425 3.506 20 0 EHADRM COCc1ccc([C@@H]2CCCN2Cc2ccc(C(=O)[O-])cc2F)o1 ZINC000516481454 974306625 /nfs/dbraw/zinc/30/66/25/974306625.db2.gz AHDYYXUVCKWOFJ-INIZCTEOSA-N -1 0 333.359 3.600 20 0 EHADRM Cc1cc(-c2ccccc2)ccc1NC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000518498147 974323142 /nfs/dbraw/zinc/32/31/42/974323142.db2.gz PVOKEMPOOJQCMD-HXUWFJFHSA-N -1 0 338.407 3.991 20 0 EHADRM CC1(C(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)CCCCCC1 ZINC000518775217 974325579 /nfs/dbraw/zinc/32/55/79/974325579.db2.gz MQQRLOLEJMRFJJ-FQEVSTJZSA-N -1 0 329.440 3.602 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)CCCCC1 ZINC000532000102 974369791 /nfs/dbraw/zinc/36/97/91/974369791.db2.gz AXBBBZHTLATAGC-GJZGRUSLSA-N -1 0 335.831 3.737 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CC3(CCCC3)c3c2cccc3F)c1 ZINC000535614835 974379452 /nfs/dbraw/zinc/37/94/52/974379452.db2.gz STVIQYPSFHPWLS-UHFFFAOYSA-N -1 0 339.366 3.996 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)NCCCSc1ccccc1 ZINC000537473498 974383301 /nfs/dbraw/zinc/38/33/01/974383301.db2.gz WWKKGWFHCXCUHO-UHFFFAOYSA-N -1 0 343.448 3.616 20 0 EHADRM CCCn1ccc2cc(NC(=O)Cc3ccccc3C(=O)[O-])ccc21 ZINC000537474411 974384235 /nfs/dbraw/zinc/38/42/35/974384235.db2.gz FBTAIZSJQASKRB-UHFFFAOYSA-N -1 0 336.391 3.931 20 0 EHADRM CCc1ccc(C(C)(C)C(=O)NCc2ccccc2C(=O)[O-])cc1 ZINC001603968287 974449630 /nfs/dbraw/zinc/44/96/30/974449630.db2.gz DQEAOLBJIIIKQT-UHFFFAOYSA-N -1 0 325.408 3.541 20 0 EHADRM CN(C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1)C1CCCCC1 ZINC000556418757 974488727 /nfs/dbraw/zinc/48/87/27/974488727.db2.gz SVUJXBZOIYORJW-SFHVURJKSA-N -1 0 340.423 3.940 20 0 EHADRM C[C@@H](CC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)C1CCCCC1 ZINC000558138679 974492941 /nfs/dbraw/zinc/49/29/41/974492941.db2.gz NPEFYMBVZZEOLN-YWZLYKJASA-N -1 0 331.456 3.752 20 0 EHADRM CCc1oc2ccccc2c1C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001603997430 974499744 /nfs/dbraw/zinc/49/97/44/974499744.db2.gz CGQZXGVAPYUYPP-KRWDZBQOSA-N -1 0 341.338 3.690 20 0 EHADRM COc1cccc(-c2nc(CN([C@@H](C)C(=O)[O-])C3CCC3)cs2)c1 ZINC000563455202 974533949 /nfs/dbraw/zinc/53/39/49/974533949.db2.gz KRRJLTUSWZAFCD-LBPRGKRZSA-N -1 0 346.452 3.646 20 0 EHADRM O=C([O-])CC1CCN(Cc2cc(Cl)cc(Br)c2)CC1 ZINC000566361586 974609833 /nfs/dbraw/zinc/60/98/33/974609833.db2.gz KTSIGRJYONOJRN-UHFFFAOYSA-N -1 0 346.652 3.789 20 0 EHADRM COc1ccccc1-c1nc(CN([C@H](C)C(=O)[O-])C2CCC2)cs1 ZINC000566510239 974616042 /nfs/dbraw/zinc/61/60/42/974616042.db2.gz MMROSVJIYAPSDA-GFCCVEGCSA-N -1 0 346.452 3.646 20 0 EHADRM O=C([O-])c1ccc([C@@H](NC(=O)C2CC3(CCC3)C2)C(F)(F)F)cc1 ZINC000566563694 974617294 /nfs/dbraw/zinc/61/72/94/974617294.db2.gz KTSOJFJFLLHCPB-CYBMUJFWSA-N -1 0 341.329 3.685 20 0 EHADRM C[C@@H]1CCN(Cc2csc(CCc3ccccc3)n2)[C@@H](C(=O)[O-])C1 ZINC000567117759 974628195 /nfs/dbraw/zinc/62/81/95/974628195.db2.gz SKHBLRWMXSUFID-RHSMWYFYSA-N -1 0 344.480 3.613 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000571374191 974727813 /nfs/dbraw/zinc/72/78/13/974727813.db2.gz FYVYYGILJZSCRO-CYBMUJFWSA-N -1 0 337.847 3.622 20 0 EHADRM CCc1ccc([C@H]2COCCN2Cc2cccc(C(=O)[O-])c2Cl)o1 ZINC000571453482 974729815 /nfs/dbraw/zinc/72/98/15/974729815.db2.gz TWPYSVVTXSHYTC-OAHLLOKOSA-N -1 0 349.814 3.767 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000573623966 974769237 /nfs/dbraw/zinc/76/92/37/974769237.db2.gz GUGQXOYHMOCINZ-SJLPKXTDSA-N -1 0 331.456 3.749 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000573933758 974773876 /nfs/dbraw/zinc/77/38/76/974773876.db2.gz JIYCGPLIIVVMAZ-AWEZNQCLSA-N -1 0 333.428 3.975 20 0 EHADRM Cc1cc(C(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)oc1C ZINC000574900769 974791239 /nfs/dbraw/zinc/79/12/39/974791239.db2.gz JUARNRBPMGUXFM-UHFFFAOYSA-N -1 0 341.407 3.690 20 0 EHADRM C[C@@H](c1ccc(Oc2ccccc2)cc1)N1CCO[C@H](CC(=O)[O-])C1 ZINC000576233337 974810365 /nfs/dbraw/zinc/81/03/65/974810365.db2.gz WLHZCTWFOCLWLP-HNAYVOBHSA-N -1 0 341.407 3.715 20 0 EHADRM C[C@H](CN(Cc1csc(C2CC2)n1)Cc1ccccc1)C(=O)[O-] ZINC000577957770 974845474 /nfs/dbraw/zinc/84/54/74/974845474.db2.gz HJGKTAIJUUWRGO-CYBMUJFWSA-N -1 0 330.453 3.743 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CN1CCO[C@@H](CCc2ccccc2)C1 ZINC000578137709 974848376 /nfs/dbraw/zinc/84/83/76/974848376.db2.gz TUWMSIMNIASGMP-KRWDZBQOSA-N -1 0 345.464 3.588 20 0 EHADRM Cc1ccc(Nc2ccccc2C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)cc1 ZINC000578719540 974860217 /nfs/dbraw/zinc/86/02/17/974860217.db2.gz PIIKYRHFDKTXKR-GOEBONIOSA-N -1 0 338.407 3.674 20 0 EHADRM Cc1ccc2c(C(=O)N3CCC(CCC(=O)[O-])CC3)csc2c1 ZINC000579198207 974870483 /nfs/dbraw/zinc/87/04/83/974870483.db2.gz VBMKKZFUNDCCKH-UHFFFAOYSA-N -1 0 331.437 3.927 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@@H](CCc1ccccc1)c1ccccc1 ZINC000582370087 974924796 /nfs/dbraw/zinc/92/47/96/974924796.db2.gz FNBYJMQIFQOKMO-LPHOPBHVSA-N -1 0 339.435 3.978 20 0 EHADRM Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)C[C@H](C)CC(=O)[O-] ZINC000583703576 974944432 /nfs/dbraw/zinc/94/44/32/974944432.db2.gz BPZACQCFTPQXMH-BBRMVZONSA-N -1 0 345.464 3.957 20 0 EHADRM C[C@@]1(c2ccccc2)CN([C@H](C(=O)[O-])c2cccc(Cl)c2)CCO1 ZINC000583818157 974946559 /nfs/dbraw/zinc/94/65/59/974946559.db2.gz PJAOFAJYOUFSGP-HKUYNNGSSA-N -1 0 345.826 3.713 20 0 EHADRM O=C([O-])[C@@H](c1ccc(F)cc1)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000584535019 974956779 /nfs/dbraw/zinc/95/67/79/974956779.db2.gz NRKHOTTXZKRHOB-IAGOWNOFSA-N -1 0 349.789 3.678 20 0 EHADRM CCCc1ccc(CN[C@@H](C(=O)[O-])c2cc(F)ccc2F)s1 ZINC000621247012 975026961 /nfs/dbraw/zinc/02/69/61/975026961.db2.gz CNJACLOYWLKTHU-OAHLLOKOSA-N -1 0 325.380 3.894 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)CCc1ccc(Cl)cc1)C2 ZINC000621579090 975039987 /nfs/dbraw/zinc/03/99/87/975039987.db2.gz ULLQTBPVWQKLLI-UHFFFAOYSA-N -1 0 343.810 3.556 20 0 EHADRM CCC[C@@H](C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC000621608440 975057103 /nfs/dbraw/zinc/05/71/03/975057103.db2.gz RIFJJCVBWLWKFP-WCQYABFASA-N -1 0 332.425 3.602 20 0 EHADRM C[C@@H](NC(=O)C1(c2ccccc2)CCCC1)c1ncc(C(=O)[O-])s1 ZINC000621610747 975060061 /nfs/dbraw/zinc/06/00/61/975060061.db2.gz OVPOAKZXFPXYNB-GFCCVEGCSA-N -1 0 344.436 3.531 20 0 EHADRM CC(C)CN(Cc1cccc(Cl)c1)C(=O)C[C@H](C)CC(=O)[O-] ZINC000621617903 975063124 /nfs/dbraw/zinc/06/31/24/975063124.db2.gz DZWVSRQQDUFPOJ-ZDUSSCGKSA-N -1 0 325.836 3.826 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1C(=O)NC1(CC(=O)[O-])CCC1 ZINC000630132249 975116989 /nfs/dbraw/zinc/11/69/89/975116989.db2.gz RRTCIUSSRGSCCW-UHFFFAOYSA-N -1 0 339.391 3.915 20 0 EHADRM Cc1cc(C(=O)N2CC[C@H](C)[C@@H]2c2cccc(F)c2)oc1C(=O)[O-] ZINC000630152333 975132027 /nfs/dbraw/zinc/13/20/27/975132027.db2.gz JELLUUHPNQVCJM-ZUZCIYMTSA-N -1 0 331.343 3.649 20 0 EHADRM Cc1cc(C(=O)N2CC3(CCCC3)c3ccccc32)oc1C(=O)[O-] ZINC000630154718 975132110 /nfs/dbraw/zinc/13/21/10/975132110.db2.gz IOXUOJRTERYIIY-UHFFFAOYSA-N -1 0 325.364 3.758 20 0 EHADRM Cc1ccc(C)c(S([O-])=CC(=O)N[C@H](C)c2ccc(Cl)cc2)c1 ZINC000107966695 1014238301 /nfs/dbraw/zinc/23/83/01/1014238301.db2.gz IDEKHUAVDSJRKZ-FATZIPQQSA-N -1 0 349.883 3.942 20 0 EHADRM CSc1cc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)co1 ZINC000630158516 975135048 /nfs/dbraw/zinc/13/50/48/975135048.db2.gz IZUPTAOGJSIHGH-UHFFFAOYSA-N -1 0 333.409 3.509 20 0 EHADRM Cc1cc(C(=O)N2[C@H](C)c3ccc(F)cc3C[C@@H]2C)oc1C(=O)[O-] ZINC000630165942 975139676 /nfs/dbraw/zinc/13/96/76/975139676.db2.gz ARPFVJFDETWKHU-WDEREUQCSA-N -1 0 331.343 3.573 20 0 EHADRM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)c2cncc(C(=O)[O-])c2)cc1 ZINC000630169719 975141093 /nfs/dbraw/zinc/14/10/93/975141093.db2.gz FHCMUCWPISKPGJ-KDOFPFPSSA-N -1 0 338.407 3.702 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(C(=O)[C@@H]2CCCC23CC3)CC1 ZINC000630185542 975146994 /nfs/dbraw/zinc/14/69/94/975146994.db2.gz CPKNPBPZRCSCHX-SFHVURJKSA-N -1 0 341.451 3.746 20 0 EHADRM Cc1cccc(CO[C@@H](C)C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c1 ZINC000630193069 975152138 /nfs/dbraw/zinc/15/21/38/975152138.db2.gz AUEKLCWRMHAQFY-GJZGRUSLSA-N -1 0 341.407 3.727 20 0 EHADRM O=C([O-])c1ccc2c(c1)[C@H](CNC(=O)[C@H]1CCCC13CC3)CCC2 ZINC000630206837 975159020 /nfs/dbraw/zinc/15/90/20/975159020.db2.gz MVRTVKNZSWLXQV-DOTOQJQBSA-N -1 0 327.424 3.501 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)c(F)c1 ZINC000630210131 975160957 /nfs/dbraw/zinc/16/09/57/975160957.db2.gz JXPRYWVHIVWBOW-NEPJUHHUSA-N -1 0 347.308 3.509 20 0 EHADRM CCC[C@@H](C)CC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC000630256348 975198707 /nfs/dbraw/zinc/19/87/07/975198707.db2.gz UQXRGQRXZWZKJN-SNVBAGLBSA-N -1 0 329.343 3.794 20 0 EHADRM CSc1ccc(C)c(C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)c1 ZINC000630264452 975207686 /nfs/dbraw/zinc/20/76/86/975207686.db2.gz GFCBKNHPZCXAOW-INIZCTEOSA-N -1 0 335.469 3.728 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)NC[C@H](C(=O)[O-])C2CCCCC2)c1 ZINC000630265424 975208631 /nfs/dbraw/zinc/20/86/31/975208631.db2.gz OIFPDIJPONVXLM-KSSFIOAISA-N -1 0 347.455 3.586 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1ccc(C(F)F)cc1F)C1CCCCC1 ZINC000630267896 975211121 /nfs/dbraw/zinc/21/11/21/975211121.db2.gz TUJZPYPAMINPEX-CYBMUJFWSA-N -1 0 343.345 3.774 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc(Cl)ccc2Cl)[C@H]2CCC[C@H]21 ZINC000630275741 975220358 /nfs/dbraw/zinc/22/03/58/975220358.db2.gz UHOFBUGWADEGSP-WDMOLILDSA-N -1 0 342.222 3.709 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3s2)[C@H]2CCC[C@@H]21 ZINC000630278844 975223275 /nfs/dbraw/zinc/22/32/75/975223275.db2.gz ILYVBKSAROEPME-MCIONIFRSA-N -1 0 347.411 3.756 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3cc(Cl)ccc3o2)[C@H]2CCC[C@@H]21 ZINC000630283337 975228123 /nfs/dbraw/zinc/22/81/23/975228123.db2.gz SFSPAVUUKFEPFK-MCIONIFRSA-N -1 0 347.798 3.802 20 0 EHADRM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000630293441 975234205 /nfs/dbraw/zinc/23/42/05/975234205.db2.gz UJADZKIGMQUFNF-DZKIICNBSA-N -1 0 337.847 3.668 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)c1ccc(C(=O)[O-])s1 ZINC000630295106 975235216 /nfs/dbraw/zinc/23/52/16/975235216.db2.gz PVELGVCVJVECJH-DYEKYZERSA-N -1 0 329.421 3.853 20 0 EHADRM CCCc1nc(C)c(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)s1 ZINC000630327870 975255101 /nfs/dbraw/zinc/25/51/01/975255101.db2.gz YRZVVHMROZXCRD-UONOGXRCSA-N -1 0 344.436 3.844 20 0 EHADRM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC000630331725 975260012 /nfs/dbraw/zinc/26/00/12/975260012.db2.gz ODCYNPWDXKCVHK-WKILWMFISA-N -1 0 347.459 3.520 20 0 EHADRM CC[C@H](Nc1ncc(C(=O)[O-])s1)c1nc(C(F)(F)F)cs1 ZINC000630460085 975265456 /nfs/dbraw/zinc/26/54/56/975265456.db2.gz ZDGNNJOFKCGLJI-YFKPBYRVSA-N -1 0 337.348 3.880 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NCc2ccc(Br)o2)cc1 ZINC000630467045 975266142 /nfs/dbraw/zinc/26/61/42/975266142.db2.gz IJCIGRGKYHNOQE-QWHCGFSZSA-N -1 0 336.185 3.842 20 0 EHADRM Cc1cc(C)c(NC(=O)C[C@H](C)CC(=O)[O-])cc1Br ZINC000634829970 975278481 /nfs/dbraw/zinc/27/84/81/975278481.db2.gz KYWXGTVSUDYIRR-QMMMGPOBSA-N -1 0 328.206 3.505 20 0 EHADRM Cc1cccc(C2(C(=O)Nc3ccc(CC(=O)[O-])c(F)c3)CCC2)c1 ZINC000643429216 975301788 /nfs/dbraw/zinc/30/17/88/975301788.db2.gz KSTGTBKPIXGBDJ-UHFFFAOYSA-N -1 0 341.382 3.822 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N(Cc2ccccc2)C2CC2)c(C)c1 ZINC000107968773 1014251784 /nfs/dbraw/zinc/25/17/84/1014251784.db2.gz DIRRTXFIAFIRNS-XMMPIXPASA-N -1 0 341.476 3.602 20 0 EHADRM CC[C@H](CSc1ccccc1)NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000647164454 975357833 /nfs/dbraw/zinc/35/78/33/975357833.db2.gz WGRLBSCREGBFRS-RBSFLKMASA-N -1 0 335.469 3.565 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)NC2(c3cccc(Cl)c3)CCC2)CC1 ZINC000649265535 975406378 /nfs/dbraw/zinc/40/63/78/975406378.db2.gz HBMNDSYATNASHS-JOCQHMNTSA-N -1 0 335.831 3.726 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000649364682 975408451 /nfs/dbraw/zinc/40/84/51/975408451.db2.gz JEQYGLPBLBRWHB-AWEZNQCLSA-N -1 0 342.439 3.748 20 0 EHADRM CCCCOc1ccc([C@@H](C)Nc2cncc(C(=O)[O-])n2)cc1OC ZINC000649386611 975410849 /nfs/dbraw/zinc/41/08/49/975410849.db2.gz CJBBPFZIQHYNFC-GFCCVEGCSA-N -1 0 345.399 3.535 20 0 EHADRM CC(C)Nc1cc(F)ccc1NC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001591668228 975424205 /nfs/dbraw/zinc/42/42/05/975424205.db2.gz VHWDLCRRRIXJMO-GQCTYLIASA-N -1 0 332.331 3.589 20 0 EHADRM C[C@H](COCC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1)c1ccccc1 ZINC000652072754 975469726 /nfs/dbraw/zinc/46/97/26/975469726.db2.gz KHFBWHOEGKIKBK-CABCVRRESA-N -1 0 341.407 3.634 20 0 EHADRM CC(C)OC(=O)CS[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001591682445 975475341 /nfs/dbraw/zinc/47/53/41/975475341.db2.gz ORAPVEDHRONRIM-LBPRGKRZSA-N -1 0 337.224 3.804 20 0 EHADRM CC(C)O[C@H](C(=O)OCCc1ccccc1C(=O)[O-])c1ccccc1 ZINC001591687308 975501919 /nfs/dbraw/zinc/50/19/19/975501919.db2.gz ZCROQSLSRSSSEB-SFHVURJKSA-N -1 0 342.391 3.637 20 0 EHADRM C[C@H]1CN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)CC(C)(C)O1 ZINC000652401172 975522780 /nfs/dbraw/zinc/52/27/80/975522780.db2.gz PCJFKVKJUJPIAP-LBPRGKRZSA-N -1 0 346.452 3.508 20 0 EHADRM CC(C)c1ccc(-c2noc(CN3CCC(CC(=O)[O-])CC3)n2)cc1 ZINC000652465868 975543024 /nfs/dbraw/zinc/54/30/24/975543024.db2.gz KTIOBPABXCUSQB-UHFFFAOYSA-N -1 0 343.427 3.547 20 0 EHADRM C[C@H]1CCN(C(=O)c2cccc(CC(=O)[O-])c2)[C@@H](c2ccco2)C1 ZINC000653641485 975607709 /nfs/dbraw/zinc/60/77/09/975607709.db2.gz KFKZSZJHQFUZMU-XJKSGUPXSA-N -1 0 327.380 3.520 20 0 EHADRM Cc1ccc(-n2nc(C(C)C)cc2NC(=O)CCCCC(=O)[O-])cc1 ZINC000655551804 975627985 /nfs/dbraw/zinc/62/79/85/975627985.db2.gz GAQJIFQZXRTGHK-UHFFFAOYSA-N -1 0 343.427 3.888 20 0 EHADRM Cc1nc(-c2ccc([C@H](C)NC(=O)CCCCC(=O)[O-])cc2)cs1 ZINC000655553418 975628168 /nfs/dbraw/zinc/62/81/68/975628168.db2.gz LGWDWXWJKVKSOO-LBPRGKRZSA-N -1 0 346.452 3.941 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000659122172 975722059 /nfs/dbraw/zinc/72/20/59/975722059.db2.gz BCCAJPYVNWEEHW-ZDUSSCGKSA-N -1 0 345.420 3.541 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)c2ccc(C3CC3)cc2)c1OC ZINC000659125463 975725946 /nfs/dbraw/zinc/72/59/46/975725946.db2.gz BGRJEGJRQVXJFT-UHFFFAOYSA-N -1 0 341.363 3.532 20 0 EHADRM CC(C)c1cccc(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000659147820 975748105 /nfs/dbraw/zinc/74/81/05/975748105.db2.gz DCZPPJGSYKPWEK-FQEVSTJZSA-N -1 0 325.408 3.582 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[C@@]1(C)Cc1ccccc1 ZINC000659155011 975754220 /nfs/dbraw/zinc/75/42/20/975754220.db2.gz XKVPFAFPHBRAIX-IBGZPJMESA-N -1 0 327.380 3.524 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000659160779 975760222 /nfs/dbraw/zinc/76/02/22/975760222.db2.gz JJFRWFBCUMCZOK-KBPBESRZSA-N -1 0 345.361 3.680 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2cccc(C3CCCC3)c2)C[C@H]1C1CC1 ZINC000659162239 975761845 /nfs/dbraw/zinc/76/18/45/975761845.db2.gz CVIMRMXYIJREBB-ZWKOTPCHSA-N -1 0 327.424 3.527 20 0 EHADRM Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCc3cccc(C(=O)[O-])c3C2)cc1C ZINC000659164464 975763222 /nfs/dbraw/zinc/76/32/22/975763222.db2.gz QORYNCIHAWRLNW-RBUKOAKNSA-N -1 0 349.430 3.690 20 0 EHADRM CC(C)c1cccc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)c1 ZINC000659165742 975764491 /nfs/dbraw/zinc/76/44/91/975764491.db2.gz DXDRJULJFUQPFU-KGLIPLIRSA-N -1 0 343.345 3.535 20 0 EHADRM CSc1ccccc1[C@@H](C)NC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC000659165553 975764550 /nfs/dbraw/zinc/76/45/50/975764550.db2.gz BPWDXHQVIQRCKP-GFCCVEGCSA-N -1 0 333.453 3.621 20 0 EHADRM CC(C)Oc1c(NC(=O)N2CC(C3CCCC3)C2)cccc1C(=O)[O-] ZINC001591744024 975765279 /nfs/dbraw/zinc/76/52/79/975765279.db2.gz HPUJZAQNPJTXLT-UHFFFAOYSA-N -1 0 346.427 3.826 20 0 EHADRM CC(C)(c1ccccc1)C1(NC(=O)c2cccc(CC(=O)[O-])c2)CC1 ZINC000659166741 975765787 /nfs/dbraw/zinc/76/57/87/975765787.db2.gz RPBVIXQKNGOJIV-UHFFFAOYSA-N -1 0 337.419 3.554 20 0 EHADRM CC(C)Oc1c(NC(=O)N2CCCC23CCC3)cccc1C(=O)[O-] ZINC001591744495 975769446 /nfs/dbraw/zinc/76/94/46/975769446.db2.gz NQQCHSAQOAHDBG-UHFFFAOYSA-N -1 0 332.400 3.722 20 0 EHADRM CC(C)[C@H](NC(=O)Cc1cccc(C(=O)[O-])c1)c1ccccc1F ZINC000659179594 975774522 /nfs/dbraw/zinc/77/45/22/975774522.db2.gz MDWFKKHHOSQMSF-SFHVURJKSA-N -1 0 329.371 3.580 20 0 EHADRM C[C@H](CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21)c1cccc(F)c1 ZINC000659192794 975792009 /nfs/dbraw/zinc/79/20/09/975792009.db2.gz GSMRCCZTHGGZCY-QCSYZSNVSA-N -1 0 347.430 3.811 20 0 EHADRM Cc1cccc([C@H](C)C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)c1 ZINC000659194803 975797506 /nfs/dbraw/zinc/79/75/06/975797506.db2.gz NFLSUPAIYVZXSL-DKIMLUQUSA-N -1 0 329.440 3.590 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cccc(C3CC3)c2)[C@H]2CCCC[C@H]12 ZINC000659195726 975798215 /nfs/dbraw/zinc/79/82/15/975798215.db2.gz YTAWHIVUMZLAOE-KURKYZTESA-N -1 0 327.424 3.670 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2csc3c2CCCC3)[C@H]2CCCC[C@@H]12 ZINC000659195874 975799767 /nfs/dbraw/zinc/79/97/67/975799767.db2.gz RTBQMQUYBUGQMR-BJJXKVORSA-N -1 0 347.480 3.732 20 0 EHADRM CC(C)Cn1cc(C(=O)NCc2ccoc2C(=O)[O-])c2ccccc21 ZINC000659197650 975804663 /nfs/dbraw/zinc/80/46/63/975804663.db2.gz IDTQMHPWSRWXOT-UHFFFAOYSA-N -1 0 340.379 3.519 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC000659207323 975817885 /nfs/dbraw/zinc/81/78/85/975817885.db2.gz AYMORSGMHSODHW-WBVHZDCISA-N -1 0 347.455 3.585 20 0 EHADRM CC(C)Oc1ccc(-c2noc([C@@H]3CCC[C@H](C(=O)[O-])C3)n2)cc1 ZINC001591757239 975832787 /nfs/dbraw/zinc/83/27/87/975832787.db2.gz YYKGLFJNETUYCO-KGLIPLIRSA-N -1 0 330.384 3.882 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N2CCC[C@@H](C3CCCCC3)C2)c1 ZINC000659234333 975843885 /nfs/dbraw/zinc/84/38/85/975843885.db2.gz REBJNEBIAONKNC-GOSISDBHSA-N -1 0 329.440 3.746 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NC(C(C)C)C(C)C ZINC001591767092 975875378 /nfs/dbraw/zinc/87/53/78/975875378.db2.gz GNZWIEZLPBZEIZ-UHFFFAOYSA-N -1 0 336.432 3.974 20 0 EHADRM O=C([O-])[C@H]1CCCCN1Cc1oc2ccccc2c1Br ZINC000662205136 975897181 /nfs/dbraw/zinc/89/71/81/975897181.db2.gz KPGVBDJGMCOKLK-LLVKDONJSA-N -1 0 338.201 3.634 20 0 EHADRM CC(C)Oc1ccc(CNc2nc3c(cccc3C(=O)[O-])[nH]2)cc1 ZINC001591775421 975919062 /nfs/dbraw/zinc/91/90/62/975919062.db2.gz SNUDXWPYGNHCBB-UHFFFAOYSA-N -1 0 325.368 3.660 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@H]2CCC(F)(F)C2)c(C(=O)[O-])c1 ZINC001591780527 975945386 /nfs/dbraw/zinc/94/53/86/975945386.db2.gz KIGSSVHSMZVLJW-JTQLQIEISA-N -1 0 327.327 3.546 20 0 EHADRM CC(C)Oc1ccc(NC(=O)CCc2ccc(F)cc2)c(C(=O)[O-])c1 ZINC001591786350 975954698 /nfs/dbraw/zinc/95/46/98/975954698.db2.gz CYWPPTPRNJVKJR-UHFFFAOYSA-N -1 0 345.370 3.882 20 0 EHADRM C[C@H](C(=O)N1CCC[C@@]1(C)C(=O)[O-])c1c(Cl)cccc1Cl ZINC000666364271 975960262 /nfs/dbraw/zinc/96/02/62/975960262.db2.gz ILVCUPKHJYKYSN-VFZGTOFNSA-N -1 0 330.211 3.563 20 0 EHADRM O=C([O-])CCCCNC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000666518305 975965858 /nfs/dbraw/zinc/96/58/58/975965858.db2.gz TVOHNKFONFSAGJ-KRWDZBQOSA-N -1 0 336.407 3.611 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)CC2CC(F)(F)C2)c2ccccc12 ZINC000668273157 975980752 /nfs/dbraw/zinc/98/07/52/975980752.db2.gz VQEWWYXRXXJBGW-UHFFFAOYSA-N -1 0 349.333 3.677 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCC[C@H](c3ccc(F)cc3)CC2)C1 ZINC000668314322 975993220 /nfs/dbraw/zinc/99/32/20/975993220.db2.gz MMNDAHNUECBQBE-BHYGNILZSA-N -1 0 347.430 3.813 20 0 EHADRM CC(C)Oc1cccc(CN(C)C(=O)Nc2ccc(C(=O)[O-])s2)c1 ZINC001591792223 975996782 /nfs/dbraw/zinc/99/67/82/975996782.db2.gz OSSZGYCAZHDVJF-UHFFFAOYSA-N -1 0 348.424 3.897 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])C1(C)C ZINC000675998286 976025547 /nfs/dbraw/zinc/02/55/47/976025547.db2.gz HGHRKWOMJXBTAT-DZUCGIPZSA-N -1 0 329.440 3.803 20 0 EHADRM Cc1oc(CN(C)C(=O)c2oc3c(cccc3F)c2C)cc1C(=O)[O-] ZINC000676001401 976026726 /nfs/dbraw/zinc/02/67/26/976026726.db2.gz JTZSAXKFFFRFDO-UHFFFAOYSA-N -1 0 345.326 3.752 20 0 EHADRM O=C([O-])c1cc(NC(=O)CNc2ccccc2Cl)ccc1Cl ZINC000676001905 976027045 /nfs/dbraw/zinc/02/70/45/976027045.db2.gz OZADSIOSGVDOOL-UHFFFAOYSA-N -1 0 339.178 3.742 20 0 EHADRM COc1cccc2cc(C(=O)N[C@@H]3CCCCCC[C@H]3C(=O)[O-])oc21 ZINC000678989613 976036696 /nfs/dbraw/zinc/03/66/96/976036696.db2.gz FDNYRNZAXJGYOV-ZIAGYGMSSA-N -1 0 345.395 3.595 20 0 EHADRM CCCC[C@H](NC(=O)c1cnc(-c2ccc(C)cc2C)s1)C(=O)[O-] ZINC000680362544 976052466 /nfs/dbraw/zinc/05/24/66/976052466.db2.gz IPWARENSLLWSRX-AWEZNQCLSA-N -1 0 346.452 3.800 20 0 EHADRM CC(C)SCC(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001591823924 976079430 /nfs/dbraw/zinc/07/94/30/976079430.db2.gz QUPJMGLNJRYEBB-UHFFFAOYSA-N -1 0 346.408 3.652 20 0 EHADRM COc1cc2ccccc2cc1C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000683330303 976088979 /nfs/dbraw/zinc/08/89/79/976088979.db2.gz KBORVEWYDMXMCB-UHFFFAOYSA-N -1 0 341.407 3.613 20 0 EHADRM CC(C)[C@@H]1C[C@H](NC(=O)Nc2cc(C(=O)[O-])ccn2)c2ccccc21 ZINC001591846080 976126449 /nfs/dbraw/zinc/12/64/49/976126449.db2.gz JMFHWPGFRKPSBW-HOTGVXAUSA-N -1 0 339.395 3.786 20 0 EHADRM CC(C)c1[nH]ccc1C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC001591918187 976381251 /nfs/dbraw/zinc/38/12/51/976381251.db2.gz LAWHZIHZIWPFDF-UHFFFAOYSA-N -1 0 342.420 3.981 20 0 EHADRM CCSCc1cc(C(=O)[N-]c2c(F)cc(C(C)=O)cc2F)no1 ZINC000274611741 1014325580 /nfs/dbraw/zinc/32/55/80/1014325580.db2.gz KGQNEFAWOPXWHA-UHFFFAOYSA-N -1 0 340.351 3.661 20 0 EHADRM CC(C)c1ccc([C@H]2CCCN2C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001591948096 976496277 /nfs/dbraw/zinc/49/62/77/976496277.db2.gz AKYPQLXRVBHSDS-RCCFBDPRSA-N -1 0 329.440 3.974 20 0 EHADRM CC(C)c1ccc(CCNC(=O)c2cc(F)cc(C(=O)[O-])c2)cc1 ZINC001591953936 976521485 /nfs/dbraw/zinc/52/14/85/976521485.db2.gz HBXRRIBJQRGLHI-UHFFFAOYSA-N -1 0 329.371 3.620 20 0 EHADRM CC(C)c1ccc(N(CCCO)Cc2cc(C(=O)[O-])cs2)cc1 ZINC001591957196 976527906 /nfs/dbraw/zinc/52/79/06/976527906.db2.gz DDWRRPVMZWDCMG-UHFFFAOYSA-N -1 0 333.453 3.959 20 0 EHADRM CC(C)c1ccc(OCCC(=O)Nc2sccc2C(=O)[O-])cc1 ZINC001591973037 976573817 /nfs/dbraw/zinc/57/38/17/976573817.db2.gz UDGLGOOLINXVFV-UHFFFAOYSA-N -1 0 333.409 3.977 20 0 EHADRM CC(C)c1ccc(SCC(=O)NC2(CC(=O)[O-])CCCC2)cc1 ZINC001591974319 976587122 /nfs/dbraw/zinc/58/71/22/976587122.db2.gz SFCJMCGPBKUCKD-UHFFFAOYSA-N -1 0 335.469 3.806 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)[nH]c2c1 ZINC001591981163 976596076 /nfs/dbraw/zinc/59/60/76/976596076.db2.gz QEDJRBZOZLRSDL-INIZCTEOSA-N -1 0 330.428 3.911 20 0 EHADRM CC(C)c1ccc2occ(C(=O)N[C@@H]3CCC[C@H]3CC(=O)[O-])c2c1 ZINC001591981634 976597212 /nfs/dbraw/zinc/59/72/12/976597212.db2.gz TYSOHSKKBIXAAU-XJKSGUPXSA-N -1 0 329.396 3.929 20 0 EHADRM CC(C)c1ccccc1OCCC(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC001592004405 976668455 /nfs/dbraw/zinc/66/84/55/976668455.db2.gz OZWWJKDCQQCJPY-LJQANCHMSA-N -1 0 342.391 3.948 20 0 EHADRM CC(C)c1nc(NC(=O)C[C@H]2CCCC2(F)F)sc1C(=O)[O-] ZINC001592021931 976717568 /nfs/dbraw/zinc/71/75/68/976717568.db2.gz IZQVYMMAONPXMY-MRVPVSSYSA-N -1 0 332.372 3.729 20 0 EHADRM CC(C)c1nc(NC(=O)C[C@@H]2OCc3ccccc32)sc1C(=O)[O-] ZINC001592021999 976718504 /nfs/dbraw/zinc/71/85/04/976718504.db2.gz KEXVLDDJBUZJBP-LBPRGKRZSA-N -1 0 346.408 3.565 20 0 EHADRM CC(C)n1c(=O)c2ccccc2nc1S[C@@H](CC(C)(C)C)C(=O)[O-] ZINC001592121571 976931101 /nfs/dbraw/zinc/93/11/01/976931101.db2.gz WDFSIEKGELRBDI-AWEZNQCLSA-N -1 0 348.468 3.959 20 0 EHADRM C[C@H](/C=C\C(=O)[O-])NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 ZINC001592193914 977156388 /nfs/dbraw/zinc/15/63/88/977156388.db2.gz RYYNPLGFAAVDOC-ARMVBBCJSA-N -1 0 345.395 3.713 20 0 EHADRM COc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000471110227 1014379022 /nfs/dbraw/zinc/37/90/22/1014379022.db2.gz NIKYOMOTIPWOPT-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM C[C@H](/C=C/C(=O)[O-])NC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC001592203151 977225653 /nfs/dbraw/zinc/22/56/53/977225653.db2.gz YDPQAVFOWFOPTR-GCZGRYASSA-N -1 0 346.386 3.661 20 0 EHADRM O=C(c1cc(O)cc(C(F)(F)F)c1)N1CCC(C(F)(F)F)CC1 ZINC000646878488 1014391965 /nfs/dbraw/zinc/39/19/65/1014391965.db2.gz SHLMJRIPXYLNFC-UHFFFAOYSA-N -1 0 341.251 3.826 20 0 EHADRM C[C@@H](CC(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1)c1ccncc1 ZINC001592243220 977467254 /nfs/dbraw/zinc/46/72/54/977467254.db2.gz UNOSMASCTZMKMN-MAUKXSAKSA-N -1 0 346.471 3.895 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)c1ccco1 ZINC001592270113 977534499 /nfs/dbraw/zinc/53/44/99/977534499.db2.gz PMESHGSESGYBDB-QMMMGPOBSA-N -1 0 325.723 3.903 20 0 EHADRM C[C@H](CC(=O)Nc1cccc(SCCC(=O)[O-])c1)c1ccco1 ZINC001592273997 977545247 /nfs/dbraw/zinc/54/52/47/977545247.db2.gz IILOAOIUJDKZIS-GFCCVEGCSA-N -1 0 333.409 3.979 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])CC[C@H]1O ZINC000186725910 1014405900 /nfs/dbraw/zinc/40/59/00/1014405900.db2.gz UJXXYLBVNJHUHD-YVEFUNNKSA-N -1 0 345.826 3.556 20 0 EHADRM C[C@H](CC(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1)c1cccc(F)c1 ZINC001592278057 977558908 /nfs/dbraw/zinc/55/89/08/977558908.db2.gz NIHXQCJHFNZZKR-SNVBAGLBSA-N -1 0 341.342 3.533 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)Nc1ccc(F)c(C(F)(F)F)c1)C1CC1 ZINC001592296687 977629458 /nfs/dbraw/zinc/62/94/58/977629458.db2.gz GDJZWQVFBOQULM-CQSZACIVSA-N -1 0 348.296 3.609 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@](C)(Cc1ccccc1)c1ccccc1 ZINC001592381199 977917934 /nfs/dbraw/zinc/91/79/34/977917934.db2.gz CWUABDBHYQEYTA-IIBYNOLFSA-N -1 0 339.435 3.762 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@@](C)(Cc1ccccc1)c1ccccc1 ZINC001592381202 977918162 /nfs/dbraw/zinc/91/81/62/977918162.db2.gz CWUABDBHYQEYTA-KKSFZXQISA-N -1 0 339.435 3.762 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC001592381984 977922156 /nfs/dbraw/zinc/92/21/56/977922156.db2.gz SPZGHKKELLWDIY-JDNHERCYSA-N -1 0 327.783 3.547 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)OCc1cc(-c2ccccc2Cl)on1 ZINC001592400161 977961946 /nfs/dbraw/zinc/96/19/46/977961946.db2.gz ASDHCXLRJZVZBG-SNVBAGLBSA-N -1 0 337.759 3.539 20 0 EHADRM C[C@@H](CC(=O)[O-])SC[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001592422679 978038055 /nfs/dbraw/zinc/03/80/55/978038055.db2.gz VQQSAGZGRUEYIO-STQMWFEESA-N -1 0 331.478 3.620 20 0 EHADRM C[C@H](CC(=O)OCc1c(Cl)cccc1C(=O)[O-])c1ccncc1 ZINC001592433609 978068086 /nfs/dbraw/zinc/06/80/86/978068086.db2.gz MERYVHSMFIXAQB-LLVKDONJSA-N -1 0 333.771 3.670 20 0 EHADRM C[C@@H](CCC(C)(C)C)C(=O)N[C@@](C)(Cc1ccc(F)cc1)C(=O)[O-] ZINC001592478597 978252884 /nfs/dbraw/zinc/25/28/84/978252884.db2.gz UOYPASLZHIQXMK-DJJJIMSYSA-N -1 0 337.435 3.790 20 0 EHADRM CCC[C@@](C)(NC(=O)[C@@H](C)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000736953769 978369426 /nfs/dbraw/zinc/36/94/26/978369426.db2.gz DDRAHPQYXILGDW-BJOHPYRUSA-N -1 0 332.227 3.857 20 0 EHADRM C[C@H](CN(C)C(=O)NCc1ccc(C(=O)[O-])s1)C1CCCCC1 ZINC001592573936 978467245 /nfs/dbraw/zinc/46/72/45/978467245.db2.gz BRGSJWKLJYVUPG-GFCCVEGCSA-N -1 0 338.473 3.804 20 0 EHADRM C[C@H](CN(C)C(=O)Nc1cc(C(=O)[O-])cnc1Cl)c1ccccc1 ZINC001592574254 978470839 /nfs/dbraw/zinc/47/08/39/978470839.db2.gz IFXUHMUBMIBUDZ-LLVKDONJSA-N -1 0 347.802 3.701 20 0 EHADRM C[C@@H](CN(C)C(=O)c1ccc(Oc2cccc(Cl)c2)cc1)C(=O)[O-] ZINC001592579872 978490514 /nfs/dbraw/zinc/49/05/14/978490514.db2.gz LQPBWCFMPCIQFT-LBPRGKRZSA-N -1 0 347.798 3.925 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)C[C@H]1CCC(F)(F)C1)C(=O)[O-] ZINC001592601881 978537628 /nfs/dbraw/zinc/53/76/28/978537628.db2.gz GPMDEWPJKICGHX-UKRRQHHQSA-N -1 0 339.382 3.561 20 0 EHADRM Cc1ccc(C(=O)CSc2nc3ccc(C(=O)[O-])cc3o2)cc1 ZINC000738504239 978548716 /nfs/dbraw/zinc/54/87/16/978548716.db2.gz VHAYSWAKOICPJQ-UHFFFAOYSA-N -1 0 327.361 3.809 20 0 EHADRM Cc1ccc(NC(=O)C(C)C)cc1N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738615163 978574916 /nfs/dbraw/zinc/57/49/16/978574916.db2.gz JHWIJCLUJJMXSI-QGZVFWFLSA-N -1 0 344.386 3.966 20 0 EHADRM Cc1ccccc1OCCNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000738785232 978601888 /nfs/dbraw/zinc/60/18/88/978601888.db2.gz LXTKAYJODBFYGO-UHFFFAOYSA-N -1 0 348.786 3.547 20 0 EHADRM Cc1csc([C@@H](C)NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)n1 ZINC000738817346 978603576 /nfs/dbraw/zinc/60/35/76/978603576.db2.gz ZABDRKUGAIXPPJ-MRVPVSSYSA-N -1 0 338.364 3.563 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)OCc1cc(Cl)nc(Cl)c1 ZINC000740054386 978665621 /nfs/dbraw/zinc/66/56/21/978665621.db2.gz VFNYNHMGRFKOTI-UHFFFAOYSA-N -1 0 341.150 3.835 20 0 EHADRM O=C([O-])c1cc(Oc2ccccc2)ccc1NC(=O)C(F)(F)F ZINC000740087834 978667207 /nfs/dbraw/zinc/66/72/07/978667207.db2.gz QDDSWEOKWBMCJY-UHFFFAOYSA-N -1 0 325.242 3.678 20 0 EHADRM O=C([O-])CCCCCNc1nn2cc(-c3ccccc3)nc2s1 ZINC000746341028 978682170 /nfs/dbraw/zinc/68/21/70/978682170.db2.gz ZZRILOLKIOWJOU-UHFFFAOYSA-N -1 0 330.413 3.515 20 0 EHADRM Cc1nc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)c(-c2ccccc2)o1 ZINC000761421790 978710554 /nfs/dbraw/zinc/71/05/54/978710554.db2.gz SOPSOAVSAPLUMK-UHFFFAOYSA-N -1 0 348.358 3.551 20 0 EHADRM O=C([O-])c1cc(NC(=O)C2(c3ccc(F)cc3F)CCC2)ccc1F ZINC000761666336 978714098 /nfs/dbraw/zinc/71/40/98/978714098.db2.gz XYEVHGPVINXGSF-UHFFFAOYSA-N -1 0 349.308 3.863 20 0 EHADRM O=C([O-])CCCCNC(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1 ZINC000767129910 978735894 /nfs/dbraw/zinc/73/58/94/978735894.db2.gz VXZJRONJUGPAIX-LUAWRHEFSA-N -1 0 347.411 3.939 20 0 EHADRM CCCCSCC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000776616422 978759252 /nfs/dbraw/zinc/75/92/52/978759252.db2.gz FUNOZBNPRHRPBV-UHFFFAOYSA-N -1 0 325.430 3.644 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCN2C(=O)Cc1ccccc1C(=O)[O-] ZINC000777359679 978775830 /nfs/dbraw/zinc/77/58/30/978775830.db2.gz IIUNGCXNEMGAPW-UHFFFAOYSA-N -1 0 337.419 3.814 20 0 EHADRM CC/C(=C\C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccc(C)cc1 ZINC000777368865 978777208 /nfs/dbraw/zinc/77/72/08/978777208.db2.gz UOOYCTGIVRYGMW-GRFAERAESA-N -1 0 349.430 3.999 20 0 EHADRM C/C(=C\C(=O)Nc1cccc(CCC(=O)[O-])c1)c1cccc(F)c1 ZINC000786615690 978795158 /nfs/dbraw/zinc/79/51/58/978795158.db2.gz QNAYJZPKUBZVHA-JLHYYAGUSA-N -1 0 327.355 3.885 20 0 EHADRM COc1ccc(Cl)cc1NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811812132 978856080 /nfs/dbraw/zinc/85/60/80/978856080.db2.gz NEFFVBCKSJUAGR-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000811820204 978864795 /nfs/dbraw/zinc/86/47/95/978864795.db2.gz RIFNGTGVLAXLMB-CYBMUJFWSA-N -1 0 347.773 3.807 20 0 EHADRM C[C@H](Cc1ccccc1F)NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811820178 978864964 /nfs/dbraw/zinc/86/49/64/978864964.db2.gz QJDHNIJTBNRJHJ-SNVBAGLBSA-N -1 0 335.762 3.538 20 0 EHADRM O=C(/C=C\SCc1ccco1)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC000823339086 978930637 /nfs/dbraw/zinc/93/06/37/978930637.db2.gz JNCRBUNWHZYRLE-WKTRQSJXSA-N -1 0 337.441 3.566 20 0 EHADRM CC(C)[C@H]1c2ccccc2CCN1C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000826747586 978948711 /nfs/dbraw/zinc/94/87/11/978948711.db2.gz NVKPLZDVAPJGKJ-KRWDZBQOSA-N -1 0 341.411 3.511 20 0 EHADRM CC(C)COC(=O)Nc1cccc(N[C@@H](C(=O)[O-])c2cccnc2)c1 ZINC000826891822 978950412 /nfs/dbraw/zinc/95/04/12/978950412.db2.gz ZWRMGCYUQQSPFV-MRXNPFEDSA-N -1 0 343.383 3.524 20 0 EHADRM C[C@@H](c1ccccc1)[C@](C)(O)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000827942200 978967762 /nfs/dbraw/zinc/96/77/62/978967762.db2.gz RDUNRSBEEJOAED-VOJFVSQTSA-N -1 0 347.798 3.531 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828183572 978973765 /nfs/dbraw/zinc/97/37/65/978973765.db2.gz JEAVLTLXEWJEKR-IGCXYCKISA-N -1 0 341.382 3.931 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(C)c(Oc2ccncc2)c1 ZINC000828638303 978986354 /nfs/dbraw/zinc/98/63/54/978986354.db2.gz LUZRTDZBLMONHL-IBGZPJMESA-N -1 0 342.395 3.556 20 0 EHADRM COc1cc(OC)cc([C@H](C(=O)[O-])N(C)Cc2ccccc2Cl)c1 ZINC000832040385 979037360 /nfs/dbraw/zinc/03/73/60/979037360.db2.gz FCXNILGZIUXIPP-QGZVFWFLSA-N -1 0 349.814 3.615 20 0 EHADRM Cc1cc(NC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cnc1Cl ZINC000832895775 979053493 /nfs/dbraw/zinc/05/34/93/979053493.db2.gz QOJJPOLOFOHDLV-SMDDNHRTSA-N -1 0 347.802 3.627 20 0 EHADRM Cc1ccc([C@H](C)C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])o1 ZINC000832925446 979056457 /nfs/dbraw/zinc/05/64/57/979056457.db2.gz ZUZWUQWCVSHCAI-BBRMVZONSA-N -1 0 329.396 3.660 20 0 EHADRM Cc1cccc(C[C@H](CNC(=O)Nc2cccc(F)c2C)C(=O)[O-])c1 ZINC000832969329 979062437 /nfs/dbraw/zinc/06/24/37/979062437.db2.gz KRICDAYRCSQNQF-OAHLLOKOSA-N -1 0 344.386 3.508 20 0 EHADRM Cc1cccc(CN(C)[C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)n1 ZINC000832968261 979062486 /nfs/dbraw/zinc/06/24/86/979062486.db2.gz UCJGYKTUAOAIBO-HNNXBMFYSA-N -1 0 339.222 3.955 20 0 EHADRM CC[C@H](C)c1nnc(N2CC[C@H](C(=O)[O-])C2)n1CC1(CC)CCCC1 ZINC001595019472 979096084 /nfs/dbraw/zinc/09/60/84/979096084.db2.gz ZNSMWWWHKIBUKO-GJZGRUSLSA-N -1 0 348.491 3.673 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)CC(F)(F)F ZINC001592683121 979108963 /nfs/dbraw/zinc/10/89/63/979108963.db2.gz VAMXAACIQPDPPV-TVYUQYBPSA-N -1 0 344.333 3.585 20 0 EHADRM C[C@H](CNC(=O)Nc1cccc(CCCc2ccccc2)c1)C(=O)[O-] ZINC001592683677 979114146 /nfs/dbraw/zinc/11/41/46/979114146.db2.gz WMRCMROOSMYPIO-OAHLLOKOSA-N -1 0 340.423 3.704 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1C ZINC001595026840 979138221 /nfs/dbraw/zinc/13/82/21/979138221.db2.gz LSQCSBYEZVGREC-NSHDSACASA-N -1 0 330.388 3.813 20 0 EHADRM CC[C@@H](CC(=O)N[C@@](C)(Cc1ccc(F)cc1)C(=O)[O-])C(C)(C)C ZINC001595033276 979173946 /nfs/dbraw/zinc/17/39/46/979173946.db2.gz HWPXUDUJQRPRPB-LIRRHRJNSA-N -1 0 337.435 3.790 20 0 EHADRM CC[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1cccc(O)c1)c1ccc(C)cc1 ZINC001595033528 979176451 /nfs/dbraw/zinc/17/64/51/979176451.db2.gz MOFQJGZZXRHQKM-IFXJQAMLSA-N -1 0 341.407 3.526 20 0 EHADRM CC(C)CN=c1[n-]nc(SCc2cncc(C(F)(F)F)c2)s1 ZINC000460861953 1032095017 /nfs/dbraw/zinc/09/50/17/1032095017.db2.gz ONZXZLPTWRTJCL-UHFFFAOYSA-N -1 0 348.419 3.734 20 0 EHADRM CC[C@@H](CC(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2)C(C)(C)C ZINC001595036395 979194775 /nfs/dbraw/zinc/19/47/75/979194775.db2.gz DDXIIFXAYXESSY-QWRGUYRKSA-N -1 0 338.473 3.734 20 0 EHADRM CC[C@H](CC(=O)OCc1ccc(C(=O)[O-])o1)c1ccc(OC)cc1 ZINC001595037240 979205002 /nfs/dbraw/zinc/20/50/02/979205002.db2.gz VBSKMEWTQSYZAB-GFCCVEGCSA-N -1 0 332.352 3.614 20 0 EHADRM C[C@@H](CNc1cc(C(F)(F)F)c(C(=O)[O-])cn1)Oc1ccccc1 ZINC001592730916 979252324 /nfs/dbraw/zinc/25/23/24/979252324.db2.gz ZUNTUKVHRPCVHQ-JTQLQIEISA-N -1 0 340.301 3.678 20 0 EHADRM C[C@@H](CNc1ccc(C(=O)NCCC(=O)[O-])cc1)C1CCCCC1 ZINC001592730862 979252779 /nfs/dbraw/zinc/25/27/79/979252779.db2.gz YZIDYKHVQOHKLU-AWEZNQCLSA-N -1 0 332.444 3.519 20 0 EHADRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)/C=C/C2CCCCC2)c1 ZINC000836758202 979268819 /nfs/dbraw/zinc/26/88/19/979268819.db2.gz INYXICNFOFGKOB-SGWGQVFISA-N -1 0 345.439 3.638 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC001595050531 979279113 /nfs/dbraw/zinc/27/91/13/979279113.db2.gz RUBCLUNAGYPDLC-UHFFFAOYSA-N -1 0 332.322 3.860 20 0 EHADRM CCC(CC)(CNC(=O)c1cn(CC(C)C)c2ccccc12)C(=O)[O-] ZINC001595076498 979350966 /nfs/dbraw/zinc/35/09/66/979350966.db2.gz ZMCIAVVKYCOYFT-UHFFFAOYSA-N -1 0 344.455 3.918 20 0 EHADRM Cc1cc(CNC(=O)CCCC(=O)[O-])ccc1Oc1ccc(F)cc1 ZINC000844245037 979390753 /nfs/dbraw/zinc/39/07/53/979390753.db2.gz GKJCJABPUOYEPZ-UHFFFAOYSA-N -1 0 345.370 3.798 20 0 EHADRM CCC(CC)n1ccc(Cn2ncc3ccc(Cl)c(C(=O)[O-])c32)n1 ZINC001595124387 979504095 /nfs/dbraw/zinc/50/40/95/979504095.db2.gz HCNMGYKWJSEOBQ-UHFFFAOYSA-N -1 0 346.818 3.994 20 0 EHADRM CCC(CC)n1nc(C(=O)Nc2scc(C)c2C(=O)[O-])cc1C ZINC001595124389 979504323 /nfs/dbraw/zinc/50/43/23/979504323.db2.gz HJMPRAVHHCQHDF-UHFFFAOYSA-N -1 0 335.429 3.873 20 0 EHADRM CCC(CC)n1nc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2C)cc1C ZINC001595124378 979504566 /nfs/dbraw/zinc/50/45/66/979504566.db2.gz GOCXNRYFFICFAF-UHFFFAOYSA-N -1 0 347.390 3.951 20 0 EHADRM CCC(CC)n1nccc1C(=O)OCc1cc(C(=O)[O-])ccc1C ZINC001595125617 979508505 /nfs/dbraw/zinc/50/85/05/979508505.db2.gz CGZXWQNBMPRIII-UHFFFAOYSA-N -1 0 330.384 3.608 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(/C=C\C(=O)[O-])o2)c1C ZINC000851595589 979509434 /nfs/dbraw/zinc/50/94/34/979509434.db2.gz OSSWAOWXRYCVHF-CCCPALQASA-N -1 0 339.391 3.972 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)N1CCCc2nc(C(=O)[O-])ccc21 ZINC001595125779 979511599 /nfs/dbraw/zinc/51/15/99/979511599.db2.gz IYTQYUROJLOOGB-AWEZNQCLSA-N -1 0 330.428 3.666 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)NCCc1ccc(C(=O)[O-])cc1OC ZINC001595125846 979512460 /nfs/dbraw/zinc/51/24/60/979512460.db2.gz MGNOOIWAOBSGLT-OAHLLOKOSA-N -1 0 347.455 3.659 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N2CCC[C@@H]2CCc2ccccc2)o1 ZINC000851601186 979520658 /nfs/dbraw/zinc/52/06/58/979520658.db2.gz JJCLKHVRJKCUTM-DVFVSVACSA-N -1 0 339.391 3.615 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(/C=C\C(=O)[O-])o2)CC12CCCCC2 ZINC000851603045 979524278 /nfs/dbraw/zinc/52/42/78/979524278.db2.gz HPUIFLWORTWMEV-QPBFKRLHSA-N -1 0 331.412 3.810 20 0 EHADRM C[C@@H](CS[C@H](C)c1nnc(-c2ccccc2F)s1)C(=O)[O-] ZINC001592825244 979541696 /nfs/dbraw/zinc/54/16/96/979541696.db2.gz SVQLTYXERLGRRB-DTWKUNHWSA-N -1 0 326.418 3.859 20 0 EHADRM O=C([O-])C[C@@H](CNC(=O)c1ccccc1SC(F)(F)F)C1CC1 ZINC000851620429 979550460 /nfs/dbraw/zinc/55/04/60/979550460.db2.gz NTWXPFOLYZWAAH-JTQLQIEISA-N -1 0 347.358 3.529 20 0 EHADRM CC[C@](CNC(=O)[C@@H](C)c1ccccc1C)(C(=O)[O-])c1ccccc1 ZINC001595135458 979576265 /nfs/dbraw/zinc/57/62/65/979576265.db2.gz SUCKUFCWMBNWBF-HRAATJIYSA-N -1 0 339.435 3.647 20 0 EHADRM CC[C@](CNC(=O)CC1(C)CCCCC1)(C(=O)[O-])c1ccccc1 ZINC001595140965 979602935 /nfs/dbraw/zinc/60/29/35/979602935.db2.gz WKUYXBLMODYZSY-HXUWFJFHSA-N -1 0 331.456 3.896 20 0 EHADRM C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1CCC(C)(C)C(=O)[O-] ZINC000859797230 979633546 /nfs/dbraw/zinc/63/35/46/979633546.db2.gz SCZFWXGSQANVQN-IUODEOHRSA-N -1 0 325.836 3.603 20 0 EHADRM CC(C)N(C)c1ccc(CNc2ccc3c(C(=O)[O-])c[nH]c3c2)cn1 ZINC000859819033 979652365 /nfs/dbraw/zinc/65/23/65/979652365.db2.gz FVBPVUXDAKZFTE-UHFFFAOYSA-N -1 0 338.411 3.718 20 0 EHADRM CCN(c1ccc(NC(=O)c2ccc(C(=O)[O-])s2)cc1)C(C)C ZINC000861741550 979656859 /nfs/dbraw/zinc/65/68/59/979656859.db2.gz QTLLZXPYPMOZOQ-UHFFFAOYSA-N -1 0 332.425 3.933 20 0 EHADRM CC[C@@H](CNC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1)C(=O)[O-] ZINC001595154283 979659002 /nfs/dbraw/zinc/65/90/02/979659002.db2.gz LOHRQKLKDHFLEN-NSHDSACASA-N -1 0 348.349 3.864 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N2CC[C@H]2C2CCCC2)cc1)C(=O)[O-] ZINC001592861312 979697756 /nfs/dbraw/zinc/69/77/56/979697756.db2.gz QTUMPPUJXVDJJE-GUYCJALGSA-N -1 0 330.428 3.746 20 0 EHADRM Cc1cc2c(CC(=O)N3CCCC[C@@H]3CC(=O)[O-])csc2s1 ZINC000864133593 979735016 /nfs/dbraw/zinc/73/50/16/979735016.db2.gz UINCRMHGVHZSEN-GFCCVEGCSA-N -1 0 337.466 3.670 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2coc3cc(O)ccc32)cc1)C(=O)[O-] ZINC001592877580 979744882 /nfs/dbraw/zinc/74/48/82/979744882.db2.gz NFFFOEPAVRCKGZ-NSHDSACASA-N -1 0 339.347 3.654 20 0 EHADRM CC[C@](CNc1ncnc2sccc21)(C(=O)[O-])c1ccccc1 ZINC001595175792 979760901 /nfs/dbraw/zinc/76/09/01/979760901.db2.gz FJQRBYPXXYISSQ-QGZVFWFLSA-N -1 0 327.409 3.536 20 0 EHADRM Cc1ccc(C(=O)N2CCc3ccc(F)cc3[C@H](C)C2)cc1C(=O)[O-] ZINC000864152085 979762931 /nfs/dbraw/zinc/76/29/31/979762931.db2.gz XXGJCURAYVFCOU-CYBMUJFWSA-N -1 0 341.382 3.634 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)/C=C/c3ccc(C(=O)[O-])o3)C2)cc1 ZINC000864157753 979769896 /nfs/dbraw/zinc/76/98/96/979769896.db2.gz RZKMOBZESGFGSZ-DYIUODAASA-N -1 0 339.391 3.704 20 0 EHADRM C[C@H](Cc1cccc(F)c1)N(C)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001592885517 979770284 /nfs/dbraw/zinc/77/02/84/979770284.db2.gz PECSYOJLRSOTFP-LLVKDONJSA-N -1 0 349.789 3.881 20 0 EHADRM C[C@@](Cc1ccccc1)(NC(=O)CCCCC(=O)[O-])c1ccccc1 ZINC001592890773 979779940 /nfs/dbraw/zinc/77/99/40/979779940.db2.gz IEJQDOYUUMZPGG-NRFANRHFSA-N -1 0 339.435 3.906 20 0 EHADRM CCC(CC)(C(=O)N[C@@H]1CC=C(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000864164203 979786051 /nfs/dbraw/zinc/78/60/51/979786051.db2.gz LNSMVVKZFYKFFF-OAHLLOKOSA-N -1 0 335.831 3.687 20 0 EHADRM O=C([O-])C1=CC[C@H](NC(=O)CCCc2cc(Cl)sc2Cl)C1 ZINC000864166214 979790498 /nfs/dbraw/zinc/79/04/98/979790498.db2.gz UHJOLTBKRQJZSZ-JTQLQIEISA-N -1 0 348.251 3.667 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)NCc1cc(C(=O)[O-])co1 ZINC000864191803 979847601 /nfs/dbraw/zinc/84/76/01/979847601.db2.gz ONUJYPOSWUVCEK-UHFFFAOYSA-N -1 0 335.787 3.516 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)CCCc2ccc(F)cc2)c2ccccc21 ZINC000864227242 979915705 /nfs/dbraw/zinc/91/57/05/979915705.db2.gz VQXQOGIZGKELCL-OAHLLOKOSA-N -1 0 341.382 3.754 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)C[C@@H](C)c2ccc(F)cc2)c1 ZINC000864229509 979924328 /nfs/dbraw/zinc/92/43/28/979924328.db2.gz LXOOPSGBQLUCMJ-KDOFPFPSSA-N -1 0 343.398 3.960 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)CCc2ccccc2C)c1 ZINC000864229672 979925254 /nfs/dbraw/zinc/92/52/54/979925254.db2.gz WTBFLWHFDPEZOM-GOSISDBHSA-N -1 0 325.408 3.568 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)[C@H](C)Cc2ccc(F)cc2)c1 ZINC000864229992 979926055 /nfs/dbraw/zinc/92/60/55/979926055.db2.gz POWAELPTSIHRBQ-KDOFPFPSSA-N -1 0 343.398 3.645 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC001595210330 979983432 /nfs/dbraw/zinc/98/34/32/979983432.db2.gz CUHZPXMZYABPMZ-HOCLYGCPSA-N -1 0 331.437 3.567 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001595210440 979984332 /nfs/dbraw/zinc/98/43/32/979984332.db2.gz GRMAEKCQSOKJTL-IBGZPJMESA-N -1 0 339.435 3.507 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001595210918 979986748 /nfs/dbraw/zinc/98/67/48/979986748.db2.gz LWCAUCOTQIPLNL-RTBURBONSA-N -1 0 345.483 3.961 20 0 EHADRM CC(F)(F)c1cccc(NC(=O)NCc2ccc(C(=O)[O-])s2)c1 ZINC001592945287 980025210 /nfs/dbraw/zinc/02/52/10/980025210.db2.gz WXUQQYHVTAPXFY-UHFFFAOYSA-N -1 0 340.351 3.880 20 0 EHADRM COc1ccc2c(c1)CC[C@@H]2C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000872731261 980123356 /nfs/dbraw/zinc/12/33/56/980123356.db2.gz ZNIQBMBKBHXREY-SGTLLEGYSA-N -1 0 339.391 3.552 20 0 EHADRM CC[C@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1cc(F)ccc1F ZINC001595237390 980144809 /nfs/dbraw/zinc/14/48/09/980144809.db2.gz FLIMPEIVVYDVNN-GPAKFWEMSA-N -1 0 335.306 3.537 20 0 EHADRM CC[C@@](NC(=O)CC(C)(C)C1CC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595237777 980149358 /nfs/dbraw/zinc/14/93/58/980149358.db2.gz UDQJEVNYRXLOJI-SFHVURJKSA-N -1 0 337.847 3.972 20 0 EHADRM CC[C@](NC(=O)C[C@@H]1CC[C@H]2C[C@H]21)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595238264 980154243 /nfs/dbraw/zinc/15/42/43/980154243.db2.gz HHZVZTCRKCQHQF-NNDWQROWSA-N -1 0 335.831 3.582 20 0 EHADRM CC[C@](NC(=O)CCCc1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC001595241559 980160531 /nfs/dbraw/zinc/16/05/31/980160531.db2.gz JXPYCDKIBOXDBD-HXUWFJFHSA-N -1 0 343.398 3.655 20 0 EHADRM CC[C@](NC(=O)Cc1cccc(C)c1Cl)(C(=O)[O-])c1ccccc1 ZINC001595242590 980167152 /nfs/dbraw/zinc/16/71/52/980167152.db2.gz BXRXCZMSNUOMEQ-LJQANCHMSA-N -1 0 345.826 3.697 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCC=CCCC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593002676 980216363 /nfs/dbraw/zinc/21/63/63/980216363.db2.gz KOVAILHQQPLLOW-SZMVWBNQSA-N -1 0 329.440 3.571 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)CCCCc1ccccc1 ZINC000887326622 980217639 /nfs/dbraw/zinc/21/76/39/980217639.db2.gz IGYQKIUSWDXMAN-UHFFFAOYSA-N -1 0 341.407 3.810 20 0 EHADRM CCC(NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)(C1CC1)C1CC1 ZINC001595252816 980223969 /nfs/dbraw/zinc/22/39/69/980223969.db2.gz QAHDGJBVUJXQMH-UHFFFAOYSA-N -1 0 338.354 3.753 20 0 EHADRM C[C@@H](NCc1ccc(C(F)F)c(F)c1)c1ncc(C(=O)[O-])s1 ZINC000900041512 980239164 /nfs/dbraw/zinc/23/91/64/980239164.db2.gz PYMOMROSFZNXDI-SSDOTTSWSA-N -1 0 330.331 3.769 20 0 EHADRM CC[C@@H](NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-])C1CCCCC1 ZINC001595258913 980259553 /nfs/dbraw/zinc/25/95/53/980259553.db2.gz FRJZIPDYRMMUPW-MRXNPFEDSA-N -1 0 342.439 3.884 20 0 EHADRM C[C@@H](NC(=O)CC/C=C\c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001593015577 980262905 /nfs/dbraw/zinc/26/29/05/980262905.db2.gz OKCACQYPGFRDQR-DJTUGOFGSA-N -1 0 330.409 3.512 20 0 EHADRM C[C@H](NC(=O)N(C)[C@@H](C)C1CCCCC1)c1ncc(C(=O)[O-])s1 ZINC001593050317 980342258 /nfs/dbraw/zinc/34/22/58/980342258.db2.gz DGXWOHQZRPGUAU-QWRGUYRKSA-N -1 0 339.461 3.513 20 0 EHADRM C[C@@H](NC(=O)N(C)CCC1CCCCC1)c1ncc(C(=O)[O-])s1 ZINC001593050560 980342727 /nfs/dbraw/zinc/34/27/27/980342727.db2.gz MQUCJUWKZOKJEM-LLVKDONJSA-N -1 0 339.461 3.514 20 0 EHADRM COCc1cc(N[C@H](C)[C@@H](OC)c2ccccc2)cc(C(=O)[O-])c1 ZINC000901735381 980471136 /nfs/dbraw/zinc/47/11/36/980471136.db2.gz ZZMILLYRRFAJMX-FZKQIMNGSA-N -1 0 329.396 3.719 20 0 EHADRM O=C([O-])[C@]1(C(F)(F)F)CCN(Cc2ccsc2C(F)(F)F)C1 ZINC000901787605 980517661 /nfs/dbraw/zinc/51/76/61/980517661.db2.gz CSJLWVGVZJBYJL-JTQLQIEISA-N -1 0 347.280 3.606 20 0 EHADRM Cc1ccc([C@@H](NCc2ccc(Br)o2)C(=O)[O-])cc1C ZINC000901848575 980573184 /nfs/dbraw/zinc/57/31/84/980573184.db2.gz FKUYJMKYWWTCSW-CQSZACIVSA-N -1 0 338.201 3.574 20 0 EHADRM CC[C@H](OC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccc(F)cc1F ZINC001595338817 980610294 /nfs/dbraw/zinc/61/02/94/980610294.db2.gz WYBJKJFYNGYZAH-GPAKFWEMSA-N -1 0 336.290 3.964 20 0 EHADRM CC[C@@H](OC(=O)c1oc(C(=O)[O-])cc1C)c1cc(OC)cc(OC)c1 ZINC001595353873 980685963 /nfs/dbraw/zinc/68/59/63/980685963.db2.gz LDYVFNHIAWATRO-CQSZACIVSA-N -1 0 348.351 3.612 20 0 EHADRM CC[C@@H](OC(=O)c1csc(C(=O)[O-])n1)c1ccc(Cl)cc1F ZINC001595354206 980689583 /nfs/dbraw/zinc/68/95/83/980689583.db2.gz PKIIWDJQHWYXKD-LLVKDONJSA-N -1 0 343.763 3.942 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC001595355981 980707286 /nfs/dbraw/zinc/70/72/86/980707286.db2.gz UVDVRDYXWBPRNS-MSOLQXFVSA-N -1 0 347.455 3.673 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)Nc1scc(C)c1C(=O)[O-] ZINC001595355943 980707410 /nfs/dbraw/zinc/70/74/10/980707410.db2.gz SJBSNOLVPDGDGI-LBPRGKRZSA-N -1 0 325.430 3.821 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)Nc1sc(C)cc1C(=O)[O-] ZINC001595356524 980712728 /nfs/dbraw/zinc/71/27/28/980712728.db2.gz FPSFNGNUMYSUJC-ZDUSSCGKSA-N -1 0 333.409 3.859 20 0 EHADRM CCOc1ccc(NCc2ccc(/C=C/C(=O)[O-])o2)cc1OCC ZINC000902063757 980718335 /nfs/dbraw/zinc/71/83/35/980718335.db2.gz YMAORWFQEHJYMC-CSKARUKUSA-N -1 0 331.368 3.787 20 0 EHADRM CCOc1cccc2cc([C@H](C)NCc3cccc(C(=O)[O-])n3)oc21 ZINC000902081112 980723761 /nfs/dbraw/zinc/72/37/61/980723761.db2.gz RSHNVIOXDMHXIH-LBPRGKRZSA-N -1 0 340.379 3.776 20 0 EHADRM CCc1oc(CNc2cc(OC)ccc2OC(F)F)cc1C(=O)[O-] ZINC000902105340 980736554 /nfs/dbraw/zinc/73/65/54/980736554.db2.gz ICZXYZBFGSAOKD-UHFFFAOYSA-N -1 0 341.310 3.762 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccc(F)c(OC)c1 ZINC001595361322 980761400 /nfs/dbraw/zinc/76/14/00/980761400.db2.gz VUHHQIRLBAOQIZ-MRXNPFEDSA-N -1 0 345.370 3.512 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC001595361696 980764278 /nfs/dbraw/zinc/76/42/78/980764278.db2.gz MGCBYRHUEVIENW-KZNAEPCWSA-N -1 0 329.440 3.877 20 0 EHADRM CC[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001595363406 980781585 /nfs/dbraw/zinc/78/15/85/980781585.db2.gz AZCTUWDGKVWHTI-HNNXBMFYSA-N -1 0 345.374 3.842 20 0 EHADRM CC[C@H](c1ccccc1)N(CC)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001595363766 980786819 /nfs/dbraw/zinc/78/68/19/980786819.db2.gz LMYKESAUCORDJS-SICOMBFOSA-N -1 0 327.380 3.991 20 0 EHADRM CCc1oc(CNCc2cc(F)ccc2OC(F)F)cc1C(=O)[O-] ZINC000902227624 980791447 /nfs/dbraw/zinc/79/14/47/980791447.db2.gz TZHLLVYDTFAVLK-UHFFFAOYSA-N -1 0 343.301 3.571 20 0 EHADRM CC(=O)NCc1ccc(N[C@@H]2CCC[C@H](CCCC(=O)[O-])C2)cc1 ZINC000902234989 980794777 /nfs/dbraw/zinc/79/47/77/980794777.db2.gz RMGONSXGTJTGLB-CRAIPNDOSA-N -1 0 332.444 3.548 20 0 EHADRM CCC1(C(=O)Nc2ccc(Br)c(C(=O)[O-])c2C)CC1 ZINC001595367985 980820947 /nfs/dbraw/zinc/82/09/47/980820947.db2.gz OJFDFHQZXCNAHP-UHFFFAOYSA-N -1 0 326.190 3.584 20 0 EHADRM CCC1(C(=O)NCc2ccccc2C(=O)[O-])CCC(F)(F)CC1 ZINC000902372516 980859546 /nfs/dbraw/zinc/85/95/46/980859546.db2.gz KZFJXBAFBGDYEU-UHFFFAOYSA-N -1 0 325.355 3.607 20 0 EHADRM CCC1(CNC(=O)Nc2nc(CCC(=O)[O-])cs2)CCCCC1 ZINC001595378704 980915044 /nfs/dbraw/zinc/91/50/44/980915044.db2.gz IYULHQDVKJYNQO-UHFFFAOYSA-N -1 0 339.461 3.642 20 0 EHADRM Cc1noc([C@H](C)N(C)Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)n1 ZINC000902534644 980926230 /nfs/dbraw/zinc/92/62/30/980926230.db2.gz DVTFKLMIHLNROS-NSHDSACASA-N -1 0 341.367 3.529 20 0 EHADRM CCC1(Cc2ccccc2)CCN(C(=O)c2cc(C(=O)[O-])co2)CC1 ZINC001595384563 980932878 /nfs/dbraw/zinc/93/28/78/980932878.db2.gz WGIZDYITACAPBC-UHFFFAOYSA-N -1 0 341.407 3.853 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N(Cc2cccc(F)c2)C2CCC2)C1 ZINC000902840452 980945877 /nfs/dbraw/zinc/94/58/77/980945877.db2.gz CBQLYTPKTAZIQB-GJZGRUSLSA-N -1 0 333.403 3.598 20 0 EHADRM O=C([O-])CCC(=O)N[C@H](c1ccc(Cl)cc1Cl)C(F)(F)F ZINC000902865616 980947730 /nfs/dbraw/zinc/94/77/30/980947730.db2.gz NJUXNLZQOOYULP-LLVKDONJSA-N -1 0 344.116 3.578 20 0 EHADRM CC[C@@H]1[C@H](C)CCN1C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001595404955 980984267 /nfs/dbraw/zinc/98/42/67/980984267.db2.gz NMOSJQWHFBDQAP-IUODEOHRSA-N -1 0 336.457 3.906 20 0 EHADRM O=C([O-])c1ccc(Cl)c(CN2CCS[C@H](C(F)(F)F)C2)c1 ZINC000903629448 981004926 /nfs/dbraw/zinc/00/49/26/981004926.db2.gz GREZBUPBFGMSJC-NSHDSACASA-N -1 0 339.766 3.518 20 0 EHADRM CC[C@@H]1C[C@H](CC(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)CCO1 ZINC001595413752 981016535 /nfs/dbraw/zinc/01/65/35/981016535.db2.gz RSIFXQMILKIKRC-XFJVYGCCSA-N -1 0 340.803 3.604 20 0 EHADRM CC[C@H]1CC[C@@H](C(=O)Nc2sc3c(c2C(=O)[O-])CCCCC3)O1 ZINC001595416784 981033991 /nfs/dbraw/zinc/03/39/91/981033991.db2.gz YTGJTLWMNCFGIH-JQWIXIFHSA-N -1 0 337.441 3.611 20 0 EHADRM CCC1CCC(NC(=O)c2cc3c(cc(C)cc3C)[nH]2)(C(=O)[O-])CC1 ZINC001595424520 981042211 /nfs/dbraw/zinc/04/22/11/981042211.db2.gz BFZRRFNQWLZKKQ-UHFFFAOYSA-N -1 0 342.439 3.938 20 0 EHADRM CCC1CCC(NC(=O)c2coc3c2cccc3C)(C(=O)[O-])CC1 ZINC001595425030 981044165 /nfs/dbraw/zinc/04/41/65/981044165.db2.gz ABVMMDORRJSVBL-UHFFFAOYSA-N -1 0 329.396 3.895 20 0 EHADRM CC[C@H]1CCCC[C@H]1CNC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001595441034 981078306 /nfs/dbraw/zinc/07/83/06/981078306.db2.gz MNDAROORUKPUOA-YOEHRIQHSA-N -1 0 344.455 3.669 20 0 EHADRM CO[C@@H](C(=O)Nc1ccc(SC)c(C(=O)[O-])c1)C1CCCCC1 ZINC000905043362 981086678 /nfs/dbraw/zinc/08/66/78/981086678.db2.gz DQIHQAHAMWUKHK-OAHLLOKOSA-N -1 0 337.441 3.641 20 0 EHADRM C[C@@H]1CC(C)(C)c2cccc(NC(=O)N3CCC(C(=O)[O-])CC3)c21 ZINC000905059170 981088816 /nfs/dbraw/zinc/08/88/16/981088816.db2.gz PSGLYLUQCWVBOJ-GFCCVEGCSA-N -1 0 330.428 3.800 20 0 EHADRM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1ccc(C)c(C)c1C(=O)[O-] ZINC001595448464 981098977 /nfs/dbraw/zinc/09/89/77/981098977.db2.gz QTPAJMZGJLAQKZ-GOEBONIOSA-N -1 0 333.428 3.926 20 0 EHADRM CC[C@@H]1CCCN1C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001595459047 981134738 /nfs/dbraw/zinc/13/47/38/981134738.db2.gz OVZLHVSKXZQJJA-CHWSQXEVSA-N -1 0 344.333 3.572 20 0 EHADRM CC[C@H]1CCCN1C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001595459049 981134795 /nfs/dbraw/zinc/13/47/95/981134795.db2.gz OVZLHVSKXZQJJA-QWHCGFSZSA-N -1 0 344.333 3.572 20 0 EHADRM COc1c(NC(=O)c2ccc(C3CCC3)cc2)cccc1C(=O)[O-] ZINC000906503246 981170703 /nfs/dbraw/zinc/17/07/03/981170703.db2.gz VKLBMYBOLDRMME-UHFFFAOYSA-N -1 0 325.364 3.913 20 0 EHADRM CSCc1cccc(NC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c1 ZINC000907569297 981193635 /nfs/dbraw/zinc/19/36/35/981193635.db2.gz OTSFRUIUZLZAOK-VQIMIIECSA-N -1 0 341.432 3.747 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)c2ccccc2C2CCC2)c1 ZINC000907581126 981196049 /nfs/dbraw/zinc/19/60/49/981196049.db2.gz FYGGENRVVPMHMP-UHFFFAOYSA-N -1 0 325.364 3.670 20 0 EHADRM O=C([O-])C[C@@H](Cc1ccccc1)NC(=O)c1ccccc1C1CCC1 ZINC000908235715 981286509 /nfs/dbraw/zinc/28/65/09/981286509.db2.gz PUYAGVLMLFKYSV-QGZVFWFLSA-N -1 0 337.419 3.770 20 0 EHADRM CC(C)(CC(=O)NC[C@@H](CC1CCCC1)C(=O)[O-])CC(F)(F)F ZINC000908293975 981298806 /nfs/dbraw/zinc/29/88/06/981298806.db2.gz WAZISQGUYWLIEA-GFCCVEGCSA-N -1 0 337.382 3.752 20 0 EHADRM Cc1ccc2cc(C(=O)NCCCCC3(C(=O)[O-])CCC3)ccc2n1 ZINC000908332581 981300368 /nfs/dbraw/zinc/30/03/68/981300368.db2.gz BFAIAEHMLNODOX-UHFFFAOYSA-N -1 0 340.423 3.698 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)[C@H]2CCCc3ccccc32)CCC1 ZINC000908340991 981305409 /nfs/dbraw/zinc/30/54/09/981305409.db2.gz IYPREOHGLUEEOL-KRWDZBQOSA-N -1 0 329.440 3.648 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000908404325 981312359 /nfs/dbraw/zinc/31/23/59/981312359.db2.gz GWFCBUYEUOQPIT-ZDUSSCGKSA-N -1 0 329.318 3.528 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1OC ZINC000908508677 981320559 /nfs/dbraw/zinc/32/05/59/981320559.db2.gz XGUZFHXHZZNYRF-LBPRGKRZSA-N -1 0 343.379 3.534 20 0 EHADRM CC[C@@H]1C[C@@H](CC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CCO1 ZINC000908685627 981339687 /nfs/dbraw/zinc/33/96/87/981339687.db2.gz GVDGCFCBLGMJSK-CMPLNLGQSA-N -1 0 325.792 3.572 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)c1oc(C(=O)[O-])cc1C ZINC000908700574 981342555 /nfs/dbraw/zinc/34/25/55/981342555.db2.gz MKRMMNKVZVYZQA-UHFFFAOYSA-N -1 0 327.789 3.663 20 0 EHADRM CCCC(=CC(=O)NCCc1ccc(C(=O)[O-])cc1OC)CCC ZINC001595522463 981345081 /nfs/dbraw/zinc/34/50/81/981345081.db2.gz QMEPDYBSNGEYHO-UHFFFAOYSA-N -1 0 333.428 3.579 20 0 EHADRM CN(Cc1cccc2ccccc21)C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000908727928 981349097 /nfs/dbraw/zinc/34/90/97/981349097.db2.gz XDJOBRJIGFOLNM-UHFFFAOYSA-N -1 0 337.419 3.833 20 0 EHADRM CCN(C(=O)c1[nH]c2ccccc2c1CC(=O)[O-])[C@@H]1CCCC[C@@H]1C ZINC000908780516 981361608 /nfs/dbraw/zinc/36/16/08/981361608.db2.gz QWFXMZPKWOSTHN-SUMWQHHRSA-N -1 0 342.439 3.836 20 0 EHADRM Cc1c(CSC(C)C)cccc1NC(=O)C12CC(C(=O)[O-])(C1)C2 ZINC000908827290 981369486 /nfs/dbraw/zinc/36/94/86/981369486.db2.gz HHWUZRPRSNAJPO-UHFFFAOYSA-N -1 0 333.453 3.830 20 0 EHADRM CCC[C@H]1C[C@@H](C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)CCO1 ZINC000908898285 981384316 /nfs/dbraw/zinc/38/43/16/981384316.db2.gz HATVJKRQNKUKOP-ZFWWWQNUSA-N -1 0 349.427 3.706 20 0 EHADRM CCC[C@H](C(=O)O[C@H](C(=O)[O-])c1ccccc1Cl)c1ccccn1 ZINC001595538146 981390105 /nfs/dbraw/zinc/39/01/05/981390105.db2.gz QBFPIOWCCZAYRU-BBRMVZONSA-N -1 0 347.798 3.988 20 0 EHADRM CCC[C@](C)(NC(=O)c1nc(-c2ccccc2)oc1C1CC1)C(=O)[O-] ZINC001595553203 981427915 /nfs/dbraw/zinc/42/79/15/981427915.db2.gz CQZVTWWHOHIMHV-IBGZPJMESA-N -1 0 342.395 3.592 20 0 EHADRM C[C@@H](C(=O)NC1CCC(C(=O)[O-])CC1)c1ccc(C(F)(F)F)cc1 ZINC000909156867 981428276 /nfs/dbraw/zinc/42/82/76/981428276.db2.gz DGGMOPHIVPJPFS-PWQPVHBWSA-N -1 0 343.345 3.569 20 0 EHADRM CCC[C@](C)(NC(=O)c1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC001595553437 981429438 /nfs/dbraw/zinc/42/94/38/981429438.db2.gz JSSGTBHAUGVAMS-FQEVSTJZSA-N -1 0 325.408 3.759 20 0 EHADRM CCC[C@](C)(NC(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1)C(=O)[O-] ZINC001595554076 981434548 /nfs/dbraw/zinc/43/45/48/981434548.db2.gz ZAWUZDSNVFWYBX-KRWDZBQOSA-N -1 0 334.803 3.708 20 0 EHADRM CC(C)(C(=O)Nc1cccc(CSCCC(=O)[O-])c1)C(F)F ZINC000909224973 981437315 /nfs/dbraw/zinc/43/73/15/981437315.db2.gz XLDMUMDYYQNJJW-UHFFFAOYSA-N -1 0 331.384 3.624 20 0 EHADRM Cc1c(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)cnn1C1CCCCC1 ZINC000909295278 981463027 /nfs/dbraw/zinc/46/30/27/981463027.db2.gz DOLTUCMDIZKKMS-UHFFFAOYSA-N -1 0 345.374 3.786 20 0 EHADRM CCC[C@@H](C)CCNS(=O)(=O)c1ccc(C(=O)[O-])c2ccccc21 ZINC001595573414 981488450 /nfs/dbraw/zinc/48/84/50/981488450.db2.gz LHMKPGVYKOWWPK-CYBMUJFWSA-N -1 0 349.452 3.643 20 0 EHADRM CC1(C)C[C@@H](C(=O)NCCCCCCCC(=O)[O-])c2ccccc2O1 ZINC000909466111 981502540 /nfs/dbraw/zinc/50/25/40/981502540.db2.gz INQWWGQPNZXSCF-MRXNPFEDSA-N -1 0 347.455 3.873 20 0 EHADRM Cc1nn(C(C)C)c(C)c1CC(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000909513440 981520499 /nfs/dbraw/zinc/52/04/99/981520499.db2.gz QRNXRSXZNIDABP-UHFFFAOYSA-N -1 0 343.427 3.577 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@@H]1CCCN1c1ccccc1 ZINC000909513393 981520563 /nfs/dbraw/zinc/52/05/63/981520563.db2.gz OSZONAFHAIRBHG-SFHVURJKSA-N -1 0 338.407 3.609 20 0 EHADRM COc1ccc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c(C)c1OC ZINC000909513362 981520718 /nfs/dbraw/zinc/52/07/18/981520718.db2.gz OASZIUIRXGPCNA-UHFFFAOYSA-N -1 0 343.379 3.580 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2ccccc2OC2CC2)cc1)C(=O)[O-] ZINC000909523693 981530084 /nfs/dbraw/zinc/53/00/84/981530084.db2.gz QBYKOTOAYLHZDH-ZDUSSCGKSA-N -1 0 339.391 3.743 20 0 EHADRM CCCC(CCC)SCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC001595586607 981534118 /nfs/dbraw/zinc/53/41/18/981534118.db2.gz HBGNOFRYXARLAL-KRWDZBQOSA-N -1 0 349.496 3.727 20 0 EHADRM CCC[C@@H](NC(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC001595599394 981571935 /nfs/dbraw/zinc/57/19/35/981571935.db2.gz ACAGPBHOKJUGFS-QGZVFWFLSA-N -1 0 326.396 3.977 20 0 EHADRM CC1(C)C[C@H](NC(=O)C23CCC(C(=O)[O-])(CC2)C3)c2ccccc21 ZINC000909724208 981579987 /nfs/dbraw/zinc/57/99/87/981579987.db2.gz KAHWFAYYISPOKC-VMEOHVCESA-N -1 0 327.424 3.560 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@H]3CC[C@H](c4ccc(F)cc4)C3)(CC1)C2 ZINC000909725190 981580661 /nfs/dbraw/zinc/58/06/61/981580661.db2.gz WOJDCGCBTFGELJ-RJAKNQMXSA-N -1 0 345.414 3.613 20 0 EHADRM CC(C)[C@@H](NC(=O)[C@H](C)CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000909728554 981581996 /nfs/dbraw/zinc/58/19/96/981581996.db2.gz AJQSMZOGSMDCHF-QMTHXVAHSA-N -1 0 331.334 3.630 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@@H]3CC[C@@H](Cc4ccccc4)C3)(CC1)C2 ZINC000909728629 981582796 /nfs/dbraw/zinc/58/27/96/981582796.db2.gz FJWDLYPQHKOKRW-ZGDXVETISA-N -1 0 341.451 3.549 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1cccc(-c2c(F)cccc2F)c1 ZINC000909807278 981634786 /nfs/dbraw/zinc/63/47/86/981634786.db2.gz GQSORHLRAMQVJH-BXUZGUMPSA-N -1 0 345.345 3.567 20 0 EHADRM COc1c(O)cccc1Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001211492589 1014751016 /nfs/dbraw/zinc/75/10/16/1014751016.db2.gz ZQBUALHRAVMBEK-UHFFFAOYSA-N -1 0 327.258 3.861 20 0 EHADRM Cc1cc(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)nn1[C@@H](C)C1CC1 ZINC000909831268 981648997 /nfs/dbraw/zinc/64/89/97/981648997.db2.gz OFAGDMGPAHSQIU-OLZOCXBDSA-N -1 0 341.411 3.603 20 0 EHADRM CCC[C@H]1C[C@@H](C(=O)Nc2cc(C(=O)[O-])ccc2Cl)CCO1 ZINC001595620286 981687747 /nfs/dbraw/zinc/68/77/47/981687747.db2.gz CHYDOXCONSQUDZ-JQWIXIFHSA-N -1 0 325.792 3.572 20 0 EHADRM CCC[C@@H]1C[C@@H](C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)CCO1 ZINC001595620874 981693642 /nfs/dbraw/zinc/69/36/42/981693642.db2.gz WFDXQVZUZJUHLG-VHSXEESVSA-N -1 0 343.782 3.711 20 0 EHADRM Cc1cccc(-c2cccc(C(=O)N[C@](C)(CCF)C(=O)[O-])c2)c1 ZINC000909969509 981719263 /nfs/dbraw/zinc/71/92/63/981719263.db2.gz GGOWAFRFTNLSPC-LJQANCHMSA-N -1 0 329.371 3.595 20 0 EHADRM CCC[C@@H]1CCc2nc(NC(=O)c3ccccc3C(=O)[O-])sc2C1 ZINC001595623503 981722078 /nfs/dbraw/zinc/72/20/78/981722078.db2.gz REBHVHOPWLQDHH-LLVKDONJSA-N -1 0 344.436 3.999 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1cnc2ccccc2c1)c1ccccc1 ZINC001594769796 981733433 /nfs/dbraw/zinc/73/34/33/981733433.db2.gz AWDWMRZVZXHHNP-GOSISDBHSA-N -1 0 334.375 3.745 20 0 EHADRM Cc1ccc([C@@H]2CCN(C(=O)C34CCC(C(=O)[O-])(CC3)C4)C2)c(C)c1 ZINC000910024065 981736663 /nfs/dbraw/zinc/73/66/63/981736663.db2.gz YPBRIYVIEIGGIL-YMTQGWHGSA-N -1 0 341.451 3.654 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)[C@@H]1CCC[C@H]1c1ccccc1)C2 ZINC000910066234 981751488 /nfs/dbraw/zinc/75/14/88/981751488.db2.gz NPZDQQCMNMLVBR-PKOBYXMFSA-N -1 0 349.430 3.853 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@@H](C)CSc1ccccc1 ZINC001594778021 981771492 /nfs/dbraw/zinc/77/14/92/981771492.db2.gz HOVZGNDGXXQKLL-LIRRHRJNSA-N -1 0 349.496 3.907 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)/C(C)=C/c1ccc(C)cc1 ZINC001594778217 981773517 /nfs/dbraw/zinc/77/35/17/981773517.db2.gz LDIVEQZUZYZYSM-IURSYISVSA-N -1 0 329.440 3.890 20 0 EHADRM Cc1cc(C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)c(C(F)(F)F)o1 ZINC000910233225 981796621 /nfs/dbraw/zinc/79/66/21/981796621.db2.gz HPZLCBDBWKVZBP-GFCCVEGCSA-N -1 0 347.333 3.618 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)[C@@H]2CCC[C@H]21 ZINC000910241133 981808720 /nfs/dbraw/zinc/80/87/20/981808720.db2.gz TYGFPZBWHPFOIQ-SJUNHDGSSA-N -1 0 333.472 3.695 20 0 EHADRM CSCCc1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1 ZINC000910241522 981809182 /nfs/dbraw/zinc/80/91/82/981809182.db2.gz CCZQBOWVTGTULB-UHFFFAOYSA-N -1 0 333.453 3.566 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3CCC=C(c4ccccc4)C3)(CC1)CC2 ZINC000910250244 981824064 /nfs/dbraw/zinc/82/40/64/981824064.db2.gz DVDOJURBTJVGNT-UHFFFAOYSA-N -1 0 339.435 3.728 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000910252313 981826368 /nfs/dbraw/zinc/82/63/68/981826368.db2.gz RPNKYUFOGOVXDK-HNNXBMFYSA-N -1 0 349.333 3.552 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N(CC1CC1)c1cccc(C(F)(F)F)c1 ZINC000910270971 981837179 /nfs/dbraw/zinc/83/71/79/981837179.db2.gz SBZQXNPETALMKI-SNVBAGLBSA-N -1 0 329.318 3.559 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cccc(C(F)(F)F)c1 ZINC001594790758 981843824 /nfs/dbraw/zinc/84/38/24/981843824.db2.gz GKXIGNNEIQSAKB-INIZCTEOSA-N -1 0 343.345 3.811 20 0 EHADRM CC(C)(C)OC1CCN(c2nc(C(F)(F)F)ccc2C(=O)[O-])CC1 ZINC000910290704 981844916 /nfs/dbraw/zinc/84/49/16/981844916.db2.gz RTGDGQGHDIWWHI-UHFFFAOYSA-N -1 0 346.349 3.583 20 0 EHADRM CCCC[C@@H](CC)CC(=O)Nc1cc(C(=O)OC)ccc1C(=O)[O-] ZINC001595632823 981861001 /nfs/dbraw/zinc/86/10/01/981861001.db2.gz SDGJYDRPLFGZCS-GFCCVEGCSA-N -1 0 335.400 3.716 20 0 EHADRM CCCC[C@@H](CCC)NC(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC001595633818 981876843 /nfs/dbraw/zinc/87/68/43/981876843.db2.gz XMLXZXLTYRCREZ-CQSZACIVSA-N -1 0 336.432 3.552 20 0 EHADRM CCC(C)(C)C1CCC(CC(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])CC1 ZINC001594796943 981883931 /nfs/dbraw/zinc/88/39/31/981883931.db2.gz RWOMEAJRKZUKQG-JXQTWKCFSA-N -1 0 345.430 3.940 20 0 EHADRM CCC(C)(C)[C@H](C)NS(=O)(=O)c1cc2ccccc2cc1C(=O)[O-] ZINC001594797123 981885195 /nfs/dbraw/zinc/88/51/95/981885195.db2.gz VAGDVAOOMBXBCM-LBPRGKRZSA-N -1 0 349.452 3.641 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)c1csc(C3CCCCC3)n1)C2 ZINC000910417673 981924134 /nfs/dbraw/zinc/92/41/34/981924134.db2.gz CATKJGLJPQOZBZ-UGSOOPFHSA-N -1 0 348.468 3.518 20 0 EHADRM CCCC[C@@H](N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1)C(=O)[O-] ZINC001595637416 981931385 /nfs/dbraw/zinc/93/13/85/981931385.db2.gz GNGKEJPIDKDJAX-GXFFZTMASA-N -1 0 337.807 3.684 20 0 EHADRM CCCC[C@@H](NC(=O)c1csc(-c2ccc(CC)cc2)n1)C(=O)[O-] ZINC001595637708 981934608 /nfs/dbraw/zinc/93/46/08/981934608.db2.gz QFXZRFZUKDDPOJ-CQSZACIVSA-N -1 0 346.452 3.746 20 0 EHADRM CCC(C)(C)OCc1ccccc1NC(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC001594814463 981939100 /nfs/dbraw/zinc/93/91/00/981939100.db2.gz OYEYNUMPKAFJLT-GOEBONIOSA-N -1 0 348.443 3.767 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC001594822123 981973994 /nfs/dbraw/zinc/97/39/94/981973994.db2.gz RKOMEEKQDUSZLO-IBGZPJMESA-N -1 0 345.370 3.991 20 0 EHADRM CCCC[C@H](OC(=O)c1cccc(Oc2nccs2)c1)C(=O)[O-] ZINC001595645076 981984161 /nfs/dbraw/zinc/98/41/61/981984161.db2.gz MYJBETIJDMSNBT-ZDUSSCGKSA-N -1 0 335.381 3.736 20 0 EHADRM CCCC[C@H](OC(=O)Cc1scnc1-c1ccccc1)C(=O)[O-] ZINC001595650417 982009376 /nfs/dbraw/zinc/00/93/76/982009376.db2.gz IBCKODXVICFDHY-ZDUSSCGKSA-N -1 0 333.409 3.539 20 0 EHADRM CCCC[C@H](S[C@H](C)C(=O)Nc1cc(F)ccc1C)C(=O)[O-] ZINC001595651615 982023891 /nfs/dbraw/zinc/02/38/91/982023891.db2.gz IMCGQNATEIRRIJ-RISCZKNCSA-N -1 0 327.421 3.838 20 0 EHADRM CCCC[C@H](S[C@@H](C(=O)[O-])c1ccccc1Cl)C(=O)OC ZINC001595651954 982028779 /nfs/dbraw/zinc/02/87/79/982028779.db2.gz MXKHAJSUQUHZKV-QWHCGFSZSA-N -1 0 330.833 3.931 20 0 EHADRM CCCCN(C(=O)c1csc(C(=O)[O-])n1)[C@H](C)c1ccc(C)o1 ZINC000910624291 982033128 /nfs/dbraw/zinc/03/31/28/982033128.db2.gz RXWCIJVLEQYZAE-LLVKDONJSA-N -1 0 336.413 3.746 20 0 EHADRM CCCC[C@H](Sc1nc2cc(C)nn2c2ccccc12)C(=O)[O-] ZINC001595656788 982055959 /nfs/dbraw/zinc/05/59/59/982055959.db2.gz BHWGHPRNEUQOGD-AWEZNQCLSA-N -1 0 329.425 3.926 20 0 EHADRM CC[C@@](C)(NC(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001594846635 982069066 /nfs/dbraw/zinc/06/90/66/982069066.db2.gz JKSZESYOGYRODJ-LJQANCHMSA-N -1 0 329.371 3.888 20 0 EHADRM CCS[C@@H](C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1)C(C)C ZINC000910699819 982069610 /nfs/dbraw/zinc/06/96/10/982069610.db2.gz RNYNTSZJLDFEPL-LLVKDONJSA-N -1 0 330.475 3.681 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)/C=C\C2CCCCC2)nc1C(=O)[O-] ZINC000910726976 982090869 /nfs/dbraw/zinc/09/08/69/982090869.db2.gz LYNDMZVDYVQHJR-CFYYFVFUSA-N -1 0 348.468 3.950 20 0 EHADRM C/C(=C/C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)c1cccs1 ZINC000910741711 982103499 /nfs/dbraw/zinc/10/34/99/982103499.db2.gz KNEQOVHLZHORON-FPLPWBNLSA-N -1 0 334.422 3.822 20 0 EHADRM O=C([O-])c1nc(NC(=O)c2ccc3c(c2)CCC=C3)sc1C1CC1 ZINC000910742649 982106812 /nfs/dbraw/zinc/10/68/12/982106812.db2.gz KCGVATOHKIYCOS-UHFFFAOYSA-N -1 0 340.404 3.930 20 0 EHADRM CCCCC[C@H](NC(=O)[C@@H](C)Oc1cccc2ccccc21)C(=O)[O-] ZINC001595670720 982121332 /nfs/dbraw/zinc/12/13/32/982121332.db2.gz UTSQMZBHEVCQPZ-PBHICJAKSA-N -1 0 343.423 3.757 20 0 EHADRM CC(C)(C)Oc1ccncc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000910802178 982123295 /nfs/dbraw/zinc/12/32/95/982123295.db2.gz BSVVUEKDNIUXEX-UHFFFAOYSA-N -1 0 334.416 3.623 20 0 EHADRM O=C([O-])CC1CC(NC(=O)C2(Cc3cccs3)CCCCC2)C1 ZINC000910808792 982130250 /nfs/dbraw/zinc/13/02/50/982130250.db2.gz BHPUHGSZGAKAGY-UHFFFAOYSA-N -1 0 335.469 3.611 20 0 EHADRM CCCCC[C@H](NC(=O)Cc1c[nH]c2cccc(Cl)c12)C(=O)[O-] ZINC001595672579 982135390 /nfs/dbraw/zinc/13/53/90/982135390.db2.gz MTWGWDRHMRJLBB-AWEZNQCLSA-N -1 0 336.819 3.514 20 0 EHADRM CCCCC[C@H](NC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1)C(=O)[O-] ZINC001595673208 982139607 /nfs/dbraw/zinc/13/96/07/982139607.db2.gz WDMIOCOPIGZEEA-KURKYZTESA-N -1 0 331.456 3.795 20 0 EHADRM CC/C(C)=C(\C)C(=O)N[C@@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC001594861780 982150538 /nfs/dbraw/zinc/15/05/38/982150538.db2.gz MDLYMAZKTPNUTR-WTNCMQEWSA-N -1 0 345.317 3.574 20 0 EHADRM C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)C[C@H]1CC(=O)[O-] ZINC000910862689 982152575 /nfs/dbraw/zinc/15/25/75/982152575.db2.gz HFFWJAMPSSDHSC-CODKJTEISA-N -1 0 337.419 3.513 20 0 EHADRM CCCCC[C@@H](NC(=O)c1csc(C(=O)[O-])n1)c1ccccc1 ZINC001595680490 982154329 /nfs/dbraw/zinc/15/43/29/982154329.db2.gz DYHQYRZVZBGMST-CYBMUJFWSA-N -1 0 332.425 3.893 20 0 EHADRM CCCCC[C@@H](NC(=O)c1ccc(N2CCCCCC2)cc1)C(=O)[O-] ZINC001595681689 982163767 /nfs/dbraw/zinc/16/37/67/982163767.db2.gz UETNGXCCLHGSGY-GOSISDBHSA-N -1 0 346.471 3.830 20 0 EHADRM CCCCC[C@H](NC(=O)c1cccc(Oc2ccccn2)c1)C(=O)[O-] ZINC001595681875 982164658 /nfs/dbraw/zinc/16/46/58/982164658.db2.gz WNGINCMLPVSBDE-INIZCTEOSA-N -1 0 342.395 3.637 20 0 EHADRM CC[C@@H](C)[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC001594865837 982170451 /nfs/dbraw/zinc/17/04/51/982170451.db2.gz LQVWJMBXPPFVCW-ACJLOTCBSA-N -1 0 343.398 3.970 20 0 EHADRM CC[C@@H](C)[C@H](C)C(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001594882525 982248461 /nfs/dbraw/zinc/24/84/61/982248461.db2.gz YARASEQEONAWMM-NEPJUHHUSA-N -1 0 346.452 3.807 20 0 EHADRM CC[C@@H](C)[C@@H](C)C(=O)Oc1ccc(Br)cc1C(=O)[O-] ZINC001594882451 982248635 /nfs/dbraw/zinc/24/86/35/982248635.db2.gz XDVFOUSXUBMVDL-RKDXNWHRSA-N -1 0 329.190 3.735 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000911136906 982255455 /nfs/dbraw/zinc/25/54/55/982255455.db2.gz WTZJZEACPSNFGB-GFCCVEGCSA-N -1 0 333.384 3.558 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)CCc1ccc(F)c2ccccc12)C(=O)[O-] ZINC001594887782 982275394 /nfs/dbraw/zinc/27/53/94/982275394.db2.gz VAGOPPPNKLLVSP-KZULUSFZSA-N -1 0 331.387 3.527 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N(Cc1cccc(F)c1)C1CCCC1 ZINC000911220895 982290855 /nfs/dbraw/zinc/29/08/55/982290855.db2.gz LHZAAFAZTUFSFQ-UHFFFAOYSA-N -1 0 345.370 3.631 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)Nc1ccc(N2CCC(C)CC2)cc1 ZINC000911230338 982303304 /nfs/dbraw/zinc/30/33/04/982303304.db2.gz UUUSYLXRWQKFPT-UHFFFAOYSA-N -1 0 342.395 3.775 20 0 EHADRM CCCCCCOc1cccc([C@@H]2NC(=S)NC(C)=C2C(=O)[O-])c1 ZINC001595715202 982312980 /nfs/dbraw/zinc/31/29/80/982312980.db2.gz PHTYUBLJKQTXFL-INIZCTEOSA-N -1 0 348.468 3.523 20 0 EHADRM O=C(/C=C\c1cc(C(=O)[O-])co1)Nc1cccc(N2CCCCC2)c1 ZINC000911250757 982313510 /nfs/dbraw/zinc/31/35/10/982313510.db2.gz SYIVJTFZMRXTEN-FPLPWBNLSA-N -1 0 340.379 3.620 20 0 EHADRM CCCCCn1c(CC2CCCC2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001595726930 982348851 /nfs/dbraw/zinc/34/88/51/982348851.db2.gz CSLTUYYDQUJUFL-UHFFFAOYSA-N -1 0 348.491 3.502 20 0 EHADRM CCCCN([C@@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC001595735602 982379608 /nfs/dbraw/zinc/37/96/08/982379608.db2.gz KXKWMQBNVVDNTG-NSHDSACASA-N -1 0 347.864 3.628 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Cc1ccc(C2CCCCC2)cc1)C(=O)[O-] ZINC001594908577 982400413 /nfs/dbraw/zinc/40/04/13/982400413.db2.gz IILYUFFFRCKQME-LIRRHRJNSA-N -1 0 331.456 3.892 20 0 EHADRM CCCCN(C)c1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC001595741319 982402059 /nfs/dbraw/zinc/40/20/59/982402059.db2.gz JTLXVJPATJPGFW-DLBZAZTESA-N -1 0 332.444 3.752 20 0 EHADRM CCCCN(C)c1ccc(NC(=O)NCC(CC)(CC)C(=O)[O-])cc1 ZINC001595741795 982405144 /nfs/dbraw/zinc/40/51/44/982405144.db2.gz SLQXEIOQTKYOQH-UHFFFAOYSA-N -1 0 349.475 3.935 20 0 EHADRM CCCCN(C)c1ccc(NC(=O)N[C@@](C)(CC(=O)[O-])C2CC2)cc1 ZINC001595742322 982406311 /nfs/dbraw/zinc/40/63/11/982406311.db2.gz YNKPPIQOMNYZQQ-IBGZPJMESA-N -1 0 347.459 3.688 20 0 EHADRM CCCCN(Cc1ccccc1F)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001595747932 982416696 /nfs/dbraw/zinc/41/66/96/982416696.db2.gz NBMGKHVUOFHEPB-LUAWRHEFSA-N -1 0 345.370 3.959 20 0 EHADRM CC1CCN(c2cccc(NC(=O)CC(C)(C)CC(=O)[O-])c2)CC1 ZINC000911424637 982426004 /nfs/dbraw/zinc/42/60/04/982426004.db2.gz UIJIALWHFKRZAO-UHFFFAOYSA-N -1 0 332.444 3.752 20 0 EHADRM CCCCn1ccnc1-c1cccc(NC(=O)C[C@@H](C)CC(=O)[O-])c1 ZINC000911491687 982454261 /nfs/dbraw/zinc/45/42/61/982454261.db2.gz PMWRSGGWEMJSOK-CQSZACIVSA-N -1 0 343.427 3.790 20 0 EHADRM Cc1ccc(-c2cccnc2)cc1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000911512269 982466497 /nfs/dbraw/zinc/46/64/97/982466497.db2.gz OJKPXQXWYULMIM-JKSUJKDBSA-N -1 0 338.407 3.887 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)Nc1ccccc1N[C@@H](C)c1ccccc1 ZINC000911557825 982500724 /nfs/dbraw/zinc/50/07/24/982500724.db2.gz JTFAQHWLKZXIDZ-ZFWWWQNUSA-N -1 0 326.396 3.909 20 0 EHADRM C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000911589635 982521195 /nfs/dbraw/zinc/52/11/95/982521195.db2.gz IMGNTPGPUTXNLV-PSASIEDQSA-N -1 0 349.736 3.841 20 0 EHADRM CCCCOc1ccc([C@H](C)Nc2nccc(C(=O)[O-])n2)cc1OC ZINC001595775669 982539855 /nfs/dbraw/zinc/53/98/55/982539855.db2.gz QAMKKXUPPIEMGR-LBPRGKRZSA-N -1 0 345.399 3.535 20 0 EHADRM CCCCOc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])c(Cl)c1 ZINC001595776573 982543661 /nfs/dbraw/zinc/54/36/61/982543661.db2.gz GLYIKSVJGJLMCR-HNNXBMFYSA-N -1 0 341.835 3.748 20 0 EHADRM CC[C@@H](C)[C@@H](Sc1nnc(-c2ccc(F)cc2)n1CC)C(=O)[O-] ZINC001594930391 982551283 /nfs/dbraw/zinc/55/12/83/982551283.db2.gz WILJDRHXSYOCOB-ZWNOBZJWSA-N -1 0 337.420 3.696 20 0 EHADRM CC[C@H](C)[C@H](Sc1nnc(NCc2cccs2)s1)C(=O)[O-] ZINC001594930375 982551611 /nfs/dbraw/zinc/55/16/11/982551611.db2.gz WFPJJJKGCGFKBA-WPRPVWTQSA-N -1 0 343.499 3.803 20 0 EHADRM CC[C@@H](C)[C@@H](Sc1nnc(NC2CCCCC2)s1)C(=O)[O-] ZINC001594930426 982552474 /nfs/dbraw/zinc/55/24/74/982552474.db2.gz WRVZIVCFCDUNOG-MWLCHTKSSA-N -1 0 329.491 3.874 20 0 EHADRM CC[C@H](C)[C@@H](Sc1nnc(NC2CCCCC2)s1)C(=O)[O-] ZINC001594930424 982552768 /nfs/dbraw/zinc/55/27/68/982552768.db2.gz WRVZIVCFCDUNOG-GXSJLCMTSA-N -1 0 329.491 3.874 20 0 EHADRM CCCCS[C@H](C)C(=O)N[C@@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21 ZINC001595785676 982571121 /nfs/dbraw/zinc/57/11/21/982571121.db2.gz FAMFAZLGLYVJHA-LPMFXHHGSA-N -1 0 349.496 3.902 20 0 EHADRM CCCCS[C@H](C)C(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21 ZINC001595785677 982571260 /nfs/dbraw/zinc/57/12/60/982571260.db2.gz FAMFAZLGLYVJHA-PJIJBLCYSA-N -1 0 349.496 3.902 20 0 EHADRM CCCCSCC(=O)Oc1cccc2c(CC(=O)[O-])cccc12 ZINC001595789024 982586641 /nfs/dbraw/zinc/58/66/41/982586641.db2.gz JRWLZGIIQKHLRD-UHFFFAOYSA-N -1 0 332.421 3.906 20 0 EHADRM C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000911675279 982599481 /nfs/dbraw/zinc/59/94/81/982599481.db2.gz AUAQOAVGLTXWJK-KCJUWKMLSA-N -1 0 349.736 3.841 20 0 EHADRM CCCCc1ccc(CC(=O)Nc2cc(C)c(C(=O)[O-])c(C)n2)cc1 ZINC001595796594 982602591 /nfs/dbraw/zinc/60/25/91/982602591.db2.gz PHODFYUBTVNSHU-UHFFFAOYSA-N -1 0 340.423 3.920 20 0 EHADRM CCCN(C(=O)c1sc(-c2cccs2)nc1C)[C@@H](C)C(=O)[O-] ZINC000911711426 982608636 /nfs/dbraw/zinc/60/86/36/982608636.db2.gz KUSUTTQITZLLOA-JTQLQIEISA-N -1 0 338.454 3.505 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)COc1ccc(C(C)C)c(C)c1)C(=O)[O-] ZINC001594943545 982622993 /nfs/dbraw/zinc/62/29/93/982622993.db2.gz WWQAIJMZYMEFJZ-DYVFJYSZSA-N -1 0 335.444 3.503 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2csc(-c3ccccc3)n2)ccc1F ZINC000914728791 982653421 /nfs/dbraw/zinc/65/34/21/982653421.db2.gz AMBOUHFJAWPKLT-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM CCCCN(C(=O)c1ccc(C(=O)[O-])cn1)[C@H](C)c1ccc(C)o1 ZINC000914840731 982660362 /nfs/dbraw/zinc/66/03/62/982660362.db2.gz QMBYMXLUYPIWML-CYBMUJFWSA-N -1 0 330.384 3.685 20 0 EHADRM CCCN(C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)[C@@H](C)C(=O)[O-] ZINC001595814751 982661420 /nfs/dbraw/zinc/66/14/20/982661420.db2.gz SYPVYFOWSADXGP-ZWKOPEQDSA-N -1 0 344.238 3.809 20 0 EHADRM CCCN(C(=O)[C@H](C)c1ccccc1C(F)(F)F)[C@@H](C)C(=O)[O-] ZINC001595814974 982662250 /nfs/dbraw/zinc/66/22/50/982662250.db2.gz WIWMXMJKUWZZAC-MNOVXSKESA-N -1 0 331.334 3.521 20 0 EHADRM CCCc1c(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)[nH]c(C)c1C(C)=O ZINC000917659553 982681029 /nfs/dbraw/zinc/68/10/29/982681029.db2.gz DDNLTFIAIDJBHE-UHFFFAOYSA-N -1 0 346.358 3.568 20 0 EHADRM CC[C@H](C)CCC(=O)N[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC001594957804 982693380 /nfs/dbraw/zinc/69/33/80/982693380.db2.gz NIIYWGAQHJIJKF-IINYFYTJSA-N -1 0 342.233 3.517 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl ZINC000920937066 982695007 /nfs/dbraw/zinc/69/50/07/982695007.db2.gz UWGJCDXZQHQFFM-DAXSKMNVSA-N -1 0 349.736 3.695 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccsc1C(F)F)c1ccccc1 ZINC000923061669 982701030 /nfs/dbraw/zinc/70/10/30/982701030.db2.gz JPCOHTMGWWAWSU-BXKDBHETSA-N -1 0 339.363 3.878 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Nc2cc(C(=O)[O-])sc2C)cc1 ZINC000923090589 982716419 /nfs/dbraw/zinc/71/64/19/982716419.db2.gz HWUXBYARFSTJFK-JTQLQIEISA-N -1 0 333.409 3.896 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)c1c(Cl)n(C)nc1C(C)C ZINC000923093424 982718246 /nfs/dbraw/zinc/71/82/46/982718246.db2.gz LTRUDUIAHHCMQB-UHFFFAOYSA-N -1 0 341.820 3.517 20 0 EHADRM CCCN(CC(=O)Nc1ccccc1C)[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC001595845853 982768154 /nfs/dbraw/zinc/76/81/54/982768154.db2.gz ALCLQRXNYQZTHJ-AWEZNQCLSA-N -1 0 344.411 3.698 20 0 EHADRM CCCN(Cc1ccc(F)cc1)C(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001595888600 982917960 /nfs/dbraw/zinc/91/79/60/982917960.db2.gz PECYUQARCHDDMK-UHFFFAOYSA-N -1 0 329.371 3.885 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC001116479254 982930707 /nfs/dbraw/zinc/93/07/07/982930707.db2.gz PMCFBIFHENASKQ-LAUBAEHRSA-N -1 0 335.403 3.926 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)NCc2ccc(C(=O)[O-])s2)c1 ZINC001595009395 982934662 /nfs/dbraw/zinc/93/46/62/982934662.db2.gz WUMASRMUUFXZIU-LLVKDONJSA-N -1 0 348.424 3.945 20 0 EHADRM CC[C@H](C)c1ccc(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc1 ZINC001595010595 982941755 /nfs/dbraw/zinc/94/17/55/982941755.db2.gz UMNWDBVAJFOIAM-JNAXZKDPSA-N -1 0 329.440 3.917 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NCc2ccncc2Br)cc1 ZINC001119534971 982981401 /nfs/dbraw/zinc/98/14/01/982981401.db2.gz OESCGWDJCZKDGL-UHFFFAOYSA-N -1 0 349.228 3.818 20 0 EHADRM CCCNC(=O)c1cccc(N[C@@H](C)c2cc(C(=O)[O-])cs2)c1 ZINC001595931611 983064283 /nfs/dbraw/zinc/06/42/83/983064283.db2.gz NUCFLMWSPSRDSN-NSHDSACASA-N -1 0 332.425 3.759 20 0 EHADRM CCCOc1ccc(-c2noc([C@@H]3CCC[C@H](C(=O)[O-])C3)n2)cc1 ZINC001595953035 983132785 /nfs/dbraw/zinc/13/27/85/983132785.db2.gz ZQKRPLNQAFPCBH-KGLIPLIRSA-N -1 0 330.384 3.884 20 0 EHADRM CCCOc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2F)c(OC)c1 ZINC001595954832 983141644 /nfs/dbraw/zinc/14/16/44/983141644.db2.gz OZWBYNQCVKTZSO-UHFFFAOYSA-N -1 0 347.342 3.574 20 0 EHADRM CCCOc1ccc(NC(=O)c2ccc(/C=C/C(=O)[O-])o2)cc1F ZINC001595961090 983156265 /nfs/dbraw/zinc/15/62/65/983156265.db2.gz RSFWWGPMRMUUIQ-VMPITWQZSA-N -1 0 333.315 3.558 20 0 EHADRM CCCOc1ccc(COC(=O)Cc2ccccc2C(=O)[O-])c(C)c1 ZINC001595961305 983158752 /nfs/dbraw/zinc/15/87/52/983158752.db2.gz XLPOBWATWFOCDY-UHFFFAOYSA-N -1 0 342.391 3.768 20 0 EHADRM CCCOc1cccc(NC(=O)N[C@@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC001595969990 983193645 /nfs/dbraw/zinc/19/36/45/983193645.db2.gz UZGIBFWXFGNRHO-JTQLQIEISA-N -1 0 349.412 3.513 20 0 EHADRM CCCOc1nc(C)ccc1C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC001595975438 983210954 /nfs/dbraw/zinc/21/09/54/983210954.db2.gz YYMPHAZABKDAAD-ZDUSSCGKSA-N -1 0 342.395 3.619 20 0 EHADRM CCCc1c(C(=O)N(C)Cc2ccccc2C)[nH]c(C)c1C(=O)[O-] ZINC001596029871 983296736 /nfs/dbraw/zinc/29/67/36/983296736.db2.gz QKCZWJXMWBQIGD-UHFFFAOYSA-N -1 0 328.412 3.554 20 0 EHADRM CCCc1c(N[C@H]2CC[C@H](C(=O)[O-])C2)cnn1-c1cccc(C)c1 ZINC001596050452 983348467 /nfs/dbraw/zinc/34/84/67/983348467.db2.gz IKLXCKKCZNOFEB-GJZGRUSLSA-N -1 0 327.428 3.798 20 0 EHADRM CCCc1nc(C)c(C(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)s1 ZINC001596082110 983398508 /nfs/dbraw/zinc/39/85/08/983398508.db2.gz GSMWUYHVKYUOKJ-UHFFFAOYSA-N -1 0 347.436 3.985 20 0 EHADRM CCN(C(=O)[C@@H](C)Oc1ccc(C(C)C)c(C)c1)C(C)(C)C(=O)[O-] ZINC001596131748 983479385 /nfs/dbraw/zinc/47/93/85/983479385.db2.gz RUMBSXLLCVHJCQ-CQSZACIVSA-N -1 0 335.444 3.597 20 0 EHADRM CCN(C(=O)C[C@@]12CCCC[C@@H]1C2(F)F)c1ccccc1C(=O)[O-] ZINC001596134309 983483607 /nfs/dbraw/zinc/48/36/07/983483607.db2.gz VYOINLOBSMUNOF-YOEHRIQHSA-N -1 0 337.366 3.953 20 0 EHADRM CCN(C(=O)Cc1c(C)cccc1Cl)c1ccccc1C(=O)[O-] ZINC001596143838 983498204 /nfs/dbraw/zinc/49/82/04/983498204.db2.gz UZWKROZRZHSCDY-UHFFFAOYSA-N -1 0 331.799 3.942 20 0 EHADRM CCN(C(=O)CNc1ccc(C[C@@H](C)C(=O)[O-])cc1)C1CCCCC1 ZINC001596145411 983500656 /nfs/dbraw/zinc/50/06/56/983500656.db2.gz JBQJJKWDSHPSRF-OAHLLOKOSA-N -1 0 346.471 3.543 20 0 EHADRM CCN(C(=O)Nc1cc(C(=O)[O-])sc1C)[C@H]1CCOC(C)(C)C1 ZINC001596151089 983511806 /nfs/dbraw/zinc/51/18/06/983511806.db2.gz UABKJEAOMPMURV-NSHDSACASA-N -1 0 340.445 3.566 20 0 EHADRM CCN(C(=O)c1cc(C)n(C2CCCCC2)c1C)C(C)(C)C(=O)[O-] ZINC001596164914 983528402 /nfs/dbraw/zinc/52/84/02/983528402.db2.gz YAQOPVILFIBKKZ-UHFFFAOYSA-N -1 0 334.460 3.935 20 0 EHADRM CCN(C(=O)c1ccc(OC)c(-c2ccccc2)c1)C(C)(C)C(=O)[O-] ZINC001596167563 983532925 /nfs/dbraw/zinc/53/29/25/983532925.db2.gz XJCRKSSRHUODEU-UHFFFAOYSA-N -1 0 341.407 3.688 20 0 EHADRM CCN([C@@H](C)c1ncc(C(=O)[O-])s1)[C@@H](C)c1cccc(OC)c1 ZINC001596181379 983551411 /nfs/dbraw/zinc/55/14/11/983551411.db2.gz RIEMPAXOUABVMM-RYUDHWBXSA-N -1 0 334.441 3.994 20 0 EHADRM CC(C)(CO)[C@H](CNC(=O)c1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000154084323 1014973873 /nfs/dbraw/zinc/97/38/73/1014973873.db2.gz BZJSDCQFRGRQFL-OAHLLOKOSA-N -1 0 347.842 3.578 20 0 EHADRM CCN(CCc1cccs1)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001596352769 983812536 /nfs/dbraw/zinc/81/25/36/983812536.db2.gz UYWZSJHWHQRRMX-UHFFFAOYSA-N -1 0 337.828 3.805 20 0 EHADRM CCN(Cc1cc(C(=O)[O-])cc(C(=O)OC)c1)c1ccc(Cl)cc1 ZINC001596354307 983816651 /nfs/dbraw/zinc/81/66/51/983816651.db2.gz JCCPSUQKKNBNMN-UHFFFAOYSA-N -1 0 347.798 3.851 20 0 EHADRM CCN(Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1C(=O)[O-] ZINC001596354466 983819203 /nfs/dbraw/zinc/81/92/03/983819203.db2.gz SFQLYXAFNASNGZ-UHFFFAOYSA-N -1 0 337.379 3.920 20 0 EHADRM CCN(Cc1cncc(C(=O)[O-])c1)c1ccc(Br)cc1 ZINC001596377981 983890832 /nfs/dbraw/zinc/89/08/32/983890832.db2.gz HMXMTHAPJYSYBF-UHFFFAOYSA-N -1 0 335.201 3.569 20 0 EHADRM CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1ccc(/C=C\C(=O)[O-])o1 ZINC001596395011 983931817 /nfs/dbraw/zinc/93/18/17/983931817.db2.gz QZDDGMVKSDTCRA-KQQSKNTNSA-N -1 0 346.770 3.617 20 0 EHADRM CCOC(=O)[C@@H]1CC[C@H](Nc2ccc3c(C(=O)[O-])c[nH]c3c2)C[C@H]1C ZINC001596569254 984458477 /nfs/dbraw/zinc/45/84/77/984458477.db2.gz AKTNJKLVAPOFAC-MBNYWOFBSA-N -1 0 344.411 3.646 20 0 EHADRM C=Cc1ccc(CCNC(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC001588921611 984580034 /nfs/dbraw/zinc/58/00/34/984580034.db2.gz ILTADMGXLBZHLT-UHFFFAOYSA-N -1 0 328.343 3.531 20 0 EHADRM C=Cc1ccc(CCNC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)cc1 ZINC001588922201 984581548 /nfs/dbraw/zinc/58/15/48/984581548.db2.gz WOVQTJSKZBNJGY-UHFFFAOYSA-N -1 0 349.390 3.873 20 0 EHADRM C=Cc1ccccc1NC(=O)N[C@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001588922162 984581630 /nfs/dbraw/zinc/58/16/30/984581630.db2.gz UVFWOLQHARXHPP-PBHICJAKSA-N -1 0 338.407 3.783 20 0 EHADRM C/C(=C/C(=O)N(CC(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC001588932917 984610592 /nfs/dbraw/zinc/61/05/92/984610592.db2.gz MUVYHBNYLYYMML-RAXLEYEMSA-N -1 0 329.783 3.861 20 0 EHADRM C/C(=C/C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21)c1cccs1 ZINC001588937872 984619706 /nfs/dbraw/zinc/61/97/06/984619706.db2.gz WCOOJYGTMYFMLJ-KIWPFMIBSA-N -1 0 327.405 3.757 20 0 EHADRM C/C(=C/C(=O)NCc1ccc(C(=O)[O-])s1)c1cccc(Cl)c1 ZINC001588942214 984634326 /nfs/dbraw/zinc/63/43/26/984634326.db2.gz BGDLBWCCOHOEAZ-YFHOEESVSA-N -1 0 335.812 3.819 20 0 EHADRM C/C(=C/C(=O)NCCc1ccccc1C(=O)[O-])c1ccccc1Cl ZINC001588942338 984635692 /nfs/dbraw/zinc/63/56/92/984635692.db2.gz HSWUYCROWFOZIT-SEYXRHQNSA-N -1 0 343.810 3.800 20 0 EHADRM C/C(=C\C(=O)Nc1c(C)ccc(C(=O)[O-])c1O)c1ccccc1C ZINC001588943745 984641309 /nfs/dbraw/zinc/64/13/09/984641309.db2.gz BJMZJKDDWVUYFB-JLHYYAGUSA-N -1 0 325.364 3.749 20 0 EHADRM C/C(=C/C(=O)Nc1c(C)ccc(C(=O)[O-])c1O)c1cccc(F)c1 ZINC001588944037 984644354 /nfs/dbraw/zinc/64/43/54/984644354.db2.gz MVHNBPGNHSRFTF-FLIBITNWSA-N -1 0 329.327 3.580 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)/C=C/CCc1ccccc1 ZINC001599886707 984644752 /nfs/dbraw/zinc/64/47/52/984644752.db2.gz XGSDRBBEAFMHTO-NQUDRAQSSA-N -1 0 337.419 3.677 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)Nc1cccc(Sc2ccccc2)c1 ZINC001599887453 984653977 /nfs/dbraw/zinc/65/39/77/984653977.db2.gz KLMTVDSOFLVFLX-GFCCVEGCSA-N -1 0 330.409 3.823 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)c1ccccc1NCc1ccccc1Cl ZINC001599888923 984671361 /nfs/dbraw/zinc/67/13/61/984671361.db2.gz IKKGXHLJLZUJLS-GFCCVEGCSA-N -1 0 346.814 3.545 20 0 EHADRM C/C(=C\C(=O)[O-])CSCCCCCCNC(=O)OC(C)(C)C ZINC001588951939 984683643 /nfs/dbraw/zinc/68/36/43/984683643.db2.gz IFTAIMPPNNXAGS-ACCUITESSA-N -1 0 331.478 3.836 20 0 EHADRM C/C(=C/C(C)(C)C)C(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12 ZINC001588955893 984699400 /nfs/dbraw/zinc/69/94/00/984699400.db2.gz BYAWUGZAOAIWOE-BENRWUELSA-N -1 0 342.395 3.629 20 0 EHADRM C/C(=C\C1CCC(C)CC1)C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC001588956121 984701690 /nfs/dbraw/zinc/70/16/90/984701690.db2.gz HBULECAZSAWMIF-OKDSKSJFSA-N -1 0 343.467 3.961 20 0 EHADRM C/C(=C/C1CCC(C)CC1)C(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001588956665 984707389 /nfs/dbraw/zinc/70/73/89/984707389.db2.gz XEAYPHJLBAJXFY-QSWOSDSYSA-N -1 0 347.377 3.625 20 0 EHADRM C[C@H](Nc1ncc(C(=O)[O-])cc1C(F)(F)F)c1cccc(O)c1 ZINC001599902752 984870931 /nfs/dbraw/zinc/87/09/31/984870931.db2.gz NXADBHUCPZMLAA-QMMMGPOBSA-N -1 0 326.274 3.677 20 0 EHADRM C[C@H](OC(=O)[C@@H]1CCN(c2ccccc2)C1)c1ccc(C(=O)[O-])cc1 ZINC001599903724 984892590 /nfs/dbraw/zinc/89/25/90/984892590.db2.gz DDJRYOBSKDNQGQ-WMLDXEAASA-N -1 0 339.391 3.516 20 0 EHADRM C[C@H]1C[C@@H](N(C)[C@H](COC2CCC2)C(=O)[O-])c2ccsc2S1 ZINC001599905435 984916211 /nfs/dbraw/zinc/91/62/11/984916211.db2.gz KXQGZMCQEGJZBF-ZLKJLUDKSA-N -1 0 341.498 3.628 20 0 EHADRM C/C(=C/c1c(Cl)cccc1Cl)C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001588995952 984931298 /nfs/dbraw/zinc/93/12/98/984931298.db2.gz XQIYJMNUGHLXRZ-DVBBHNHCSA-N -1 0 340.206 3.686 20 0 EHADRM C/C(=C\c1cccc(Cl)c1)C(=O)N(CC(=O)[O-])c1ccccc1 ZINC001589003415 984952421 /nfs/dbraw/zinc/95/24/21/984952421.db2.gz ZUEOADGTEDCVIH-JLHYYAGUSA-N -1 0 329.783 3.861 20 0 EHADRM C/C(=C/c1ccccc1)CN(C)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001589004164 984962311 /nfs/dbraw/zinc/96/23/11/984962311.db2.gz ZBVBIHIGTPQSAD-RAXLEYEMSA-N -1 0 327.355 3.699 20 0 EHADRM CCOC(=O)c1ccc(S[C@H](C(=O)[O-])c2ccccc2)c(F)c1 ZINC001596728116 984985382 /nfs/dbraw/zinc/98/53/82/984985382.db2.gz CETSDRNDEVSOEU-HNNXBMFYSA-N -1 0 334.368 3.920 20 0 EHADRM CC(=O)[C@H](C)CCCCC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001589022534 985017519 /nfs/dbraw/zinc/01/75/19/985017519.db2.gz CPSNNJPJHHEYPL-SECBINFHSA-N -1 0 325.430 3.787 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccccc2-c2ccccc2)C[C@]1(C)C(=O)[O-] ZINC001599922973 985162947 /nfs/dbraw/zinc/16/29/47/985162947.db2.gz KURAHZKRFLKXGL-XOBRGWDASA-N -1 0 338.407 3.928 20 0 EHADRM CCO[C@H](C(=O)Oc1ccc(C(=O)[O-])cc1Cl)c1ccccc1 ZINC001596766170 985169267 /nfs/dbraw/zinc/16/92/67/985169267.db2.gz MGHSVPZKYGIGIA-HNNXBMFYSA-N -1 0 334.755 3.721 20 0 EHADRM CCO[C@@H](C(=O)Nc1sc(CC)cc1C(=O)[O-])c1ccccc1 ZINC001596767454 985179475 /nfs/dbraw/zinc/17/94/75/985179475.db2.gz XGFUWICIZAPAEB-CQSZACIVSA-N -1 0 333.409 3.725 20 0 EHADRM CCO[C@H](C)c1ncc(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)s1 ZINC001596775257 985206063 /nfs/dbraw/zinc/20/60/63/985206063.db2.gz BONPFUFRCBZPTQ-WDEREUQCSA-N -1 0 348.424 3.681 20 0 EHADRM CCO[C@@H](CNc1nc(Cl)c(C(=O)[O-])s1)c1ccccc1 ZINC001596790617 985267454 /nfs/dbraw/zinc/26/74/54/985267454.db2.gz DMWQIDSBXYWWKY-JTQLQIEISA-N -1 0 326.805 3.684 20 0 EHADRM C[C@H]1Cc2ccccc2N(C(=O)[C@@H]2CCC=CCCC2)[C@H]1C(=O)[O-] ZINC001599936676 985404546 /nfs/dbraw/zinc/40/45/46/985404546.db2.gz BEXXSPOJTJBXKK-HDMKZQKVSA-N -1 0 327.424 3.802 20 0 EHADRM COc1ccc2c(c1)[C@H](C(=O)Nc1ccc(F)c(F)c1[O-])CCC2 ZINC000655141495 1015126281 /nfs/dbraw/zinc/12/62/81/1015126281.db2.gz WDWCQEJJUNGCDV-GFCCVEGCSA-N -1 0 333.334 3.738 20 0 EHADRM CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)C1(CC)CC ZINC001596825265 985431755 /nfs/dbraw/zinc/43/17/55/985431755.db2.gz ZXBMUVPGUFYQKG-HZPDHXFCSA-N -1 0 348.443 3.799 20 0 EHADRM Cc1[nH]c(C(=O)[C@@H](C)N2CC(C)(C)c3ccccc32)c(C)c1C(=O)[O-] ZINC001599942545 985473499 /nfs/dbraw/zinc/47/34/99/985473499.db2.gz OLQRGMATXCMEPD-CYBMUJFWSA-N -1 0 340.423 3.699 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)N2CC=C(C(C)(C)C)CC2)c(C)c1C(=O)[O-] ZINC001599945996 985528345 /nfs/dbraw/zinc/52/83/45/985528345.db2.gz QOQVNLIXVOQKOW-ZDUSSCGKSA-N -1 0 332.444 3.579 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cccc(CCC(=O)[O-])c2)[C@@H]2CCCC[C@H]21 ZINC001594482404 985539632 /nfs/dbraw/zinc/53/96/32/985539632.db2.gz OFIKRRTVEHNBAJ-XOKHGSTOSA-N -1 0 330.428 3.746 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cccc(Cl)c2C(=O)[O-])CCC1(F)F ZINC001594482951 985545451 /nfs/dbraw/zinc/54/54/51/985545451.db2.gz XSNBKUVTRFAUMY-MRVPVSSYSA-N -1 0 332.734 3.547 20 0 EHADRM Cc1[nH]c(C(=O)[C@@H](C)SCC[C@H]2CCCCO2)c(C)c1C(=O)[O-] ZINC001599947497 985553568 /nfs/dbraw/zinc/55/35/68/985553568.db2.gz FTVLUGLYVDBUJN-CHWSQXEVSA-N -1 0 339.457 3.593 20 0 EHADRM Cc1[nH]c(C(=O)N2CCc3ccc(C(C)C)cc3C2)c(C)c1C(=O)[O-] ZINC001599950840 985604131 /nfs/dbraw/zinc/60/41/31/985604131.db2.gz KTZWLTHCLUXRFG-UHFFFAOYSA-N -1 0 340.423 3.652 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC001599956798 985702137 /nfs/dbraw/zinc/70/21/37/985702137.db2.gz SIPJOGVMKZNCRT-JTQLQIEISA-N -1 0 326.352 3.567 20 0 EHADRM CC(=O)c1c(C)cc(NC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)cc1C ZINC001589255639 985894672 /nfs/dbraw/zinc/89/46/72/985894672.db2.gz ZGWCGEBEFFIUHG-AWEZNQCLSA-N -1 0 334.416 3.517 20 0 EHADRM Cc1[nH]c2ccccc2c1CC(=O)N1CCCc2ccc(C(=O)[O-])cc21 ZINC001599965528 985897767 /nfs/dbraw/zinc/89/77/67/985897767.db2.gz MSXMPFIRLVSSFY-UHFFFAOYSA-N -1 0 348.402 3.696 20 0 EHADRM Cc1[nH]c2ccccc2c1CCNC(=O)Nc1ccc(C(=O)[O-])s1 ZINC001599965787 985902184 /nfs/dbraw/zinc/90/21/84/985902184.db2.gz XTMWLADHAPHHTO-UHFFFAOYSA-N -1 0 343.408 3.600 20 0 EHADRM Cc1[nH]ccc1C(=O)N(C)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001599966796 985921414 /nfs/dbraw/zinc/92/14/14/985921414.db2.gz HFIDOHZYSRPLGN-ZDUSSCGKSA-N -1 0 341.194 3.528 20 0 EHADRM CC(=O)c1ccc(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)c(F)c1 ZINC001589278470 985998744 /nfs/dbraw/zinc/99/87/44/985998744.db2.gz FLEDMDGRIDRJGS-NSHDSACASA-N -1 0 330.311 3.645 20 0 EHADRM Cc1c(Br)cccc1C(=O)Oc1cccc(C(=O)[O-])c1 ZINC001599972733 986034552 /nfs/dbraw/zinc/03/45/52/986034552.db2.gz YATKHRFWYFLCLR-UHFFFAOYSA-N -1 0 335.153 3.675 20 0 EHADRM C[C@H]1CN(Cc2cc(C(=O)[O-])ccc2Cl)Cc2ccccc2O1 ZINC001594534217 986142531 /nfs/dbraw/zinc/14/25/31/986142531.db2.gz HWYMICDFEMAOQL-LBPRGKRZSA-N -1 0 331.799 3.821 20 0 EHADRM CCON(CC1CCCCC1)C(=O)c1ccccc1CCC(=O)[O-] ZINC001596964136 986167149 /nfs/dbraw/zinc/16/71/49/986167149.db2.gz SOSIWKMQPARMSN-UHFFFAOYSA-N -1 0 333.428 3.678 20 0 EHADRM Cc1c2ccccc2oc1C(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1 ZINC001599982262 986180039 /nfs/dbraw/zinc/18/00/39/986180039.db2.gz ZDGHBOUIVBCBDG-OAHLLOKOSA-N -1 0 337.375 3.557 20 0 EHADRM Cc1c(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)ccn1C(C)C ZINC001599984005 986204816 /nfs/dbraw/zinc/20/48/16/986204816.db2.gz WGVOVLCLFATAHV-ZDUSSCGKSA-N -1 0 328.412 3.893 20 0 EHADRM Cc1c(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)ccn1C(C)C ZINC001599985753 986225386 /nfs/dbraw/zinc/22/53/86/986225386.db2.gz YALDNYNKXCPOCJ-UHFFFAOYSA-N -1 0 333.413 3.662 20 0 EHADRM CCOc1c(Cl)cc(NC(=O)c2ccc(C(=O)[O-])[nH]2)cc1Cl ZINC001596987318 986264959 /nfs/dbraw/zinc/26/49/59/986264959.db2.gz VGSLFYLVOAPUTH-UHFFFAOYSA-N -1 0 343.166 3.671 20 0 EHADRM C[C@H](C(=O)N1C[C@H](C(=O)[O-])Cc2ccccc21)c1cc2ccccc2o1 ZINC001589342384 986268240 /nfs/dbraw/zinc/26/82/40/986268240.db2.gz KYNUZOZMCXNJKH-XJKSGUPXSA-N -1 0 349.386 3.826 20 0 EHADRM CCOc1c(Cl)cccc1CC(=O)Nc1ccc(C(=O)[O-])s1 ZINC001596992974 986279960 /nfs/dbraw/zinc/27/99/60/986279960.db2.gz RYAQAOFQIIBNOT-UHFFFAOYSA-N -1 0 339.800 3.680 20 0 EHADRM C[C@@H](C(=O)N1CCCCc2cc(C(=O)[O-])ccc21)c1cccc(F)c1 ZINC001589358397 986348395 /nfs/dbraw/zinc/34/83/95/986348395.db2.gz AZBDIWLWTLZYGI-CYBMUJFWSA-N -1 0 341.382 3.997 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1CCCC[C@H]1C1CC1 ZINC001597010320 986350337 /nfs/dbraw/zinc/35/03/37/986350337.db2.gz YIPDXYGDFOGQBJ-LSDHHAIUSA-N -1 0 331.412 3.938 20 0 EHADRM C[C@@H](C(=O)N1CCCc2ccc(C(=O)[O-])cc21)c1ccc(F)cc1F ZINC001589359434 986357319 /nfs/dbraw/zinc/35/73/19/986357319.db2.gz RZTMGZBYHBRNIG-LLVKDONJSA-N -1 0 345.345 3.746 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CC[C@@H]1C1CCCC1 ZINC001597014119 986359439 /nfs/dbraw/zinc/35/94/39/986359439.db2.gz AOSADIWJGCSPGP-OAHLLOKOSA-N -1 0 332.400 3.580 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@H](C)CCc1ccco1 ZINC001597016933 986387596 /nfs/dbraw/zinc/38/75/96/986387596.db2.gz OBJZWHRFEMXINF-GFCCVEGCSA-N -1 0 346.383 3.519 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H](C)c1ccsc1 ZINC001597017099 986391211 /nfs/dbraw/zinc/39/12/11/986391211.db2.gz SYKWXINCEPXTDD-JTQLQIEISA-N -1 0 334.397 3.728 20 0 EHADRM C[C@H](C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1)c1ccc2ccccc2c1 ZINC001589369561 986416491 /nfs/dbraw/zinc/41/64/91/986416491.db2.gz UCITUMHCFYQJFB-YRVVQQKDSA-N -1 0 325.408 3.513 20 0 EHADRM C[C@H]([C@H](C)C(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F)C(C)(C)C ZINC001589376431 986437316 /nfs/dbraw/zinc/43/73/16/986437316.db2.gz ZHBMSBGHTOXLDR-IMSIIYSGSA-N -1 0 327.371 3.525 20 0 EHADRM CCOc1cc(CN2Cc3ccc(C(=O)[O-])cc3C2)cc(Cl)c1O ZINC001597031913 986452569 /nfs/dbraw/zinc/45/25/69/986452569.db2.gz PODMIAIRESDOSL-UHFFFAOYSA-N -1 0 347.798 3.658 20 0 EHADRM CCOc1cc(C)ccc1NC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001597032759 986458141 /nfs/dbraw/zinc/45/81/41/986458141.db2.gz RBWDHXUSVJKCSC-YWZLYKJASA-N -1 0 339.391 3.591 20 0 EHADRM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1)C1CCC1 ZINC001589381141 986463388 /nfs/dbraw/zinc/46/33/88/986463388.db2.gz MQXYQZWZFRXDBM-QMTHXVAHSA-N -1 0 343.345 3.774 20 0 EHADRM CCOc1cc(Cl)ccc1NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001597036903 986479724 /nfs/dbraw/zinc/47/97/24/986479724.db2.gz PYICWSNDNWZSJH-YVMONPNESA-N -1 0 335.743 3.682 20 0 EHADRM CC(C(=O)N[C@@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-])=C1CCC1 ZINC001589386432 986486167 /nfs/dbraw/zinc/48/61/67/986486167.db2.gz XEDZKBPJVRRCBH-WMZOPIPTSA-N -1 0 327.424 3.566 20 0 EHADRM CCOc1ccc(-c2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc1Cl ZINC001597050340 986529419 /nfs/dbraw/zinc/52/94/19/986529419.db2.gz ZIRGMIZPWCQDSI-UHFFFAOYSA-N -1 0 344.754 3.753 20 0 EHADRM C[C@@H]1CSc2ccccc2N1C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001594612347 986608297 /nfs/dbraw/zinc/60/82/97/986608297.db2.gz KMMUAHNCBZRZBN-XUIVZRPNSA-N -1 0 329.377 3.518 20 0 EHADRM C[C@@H]1Cc2cc(C(=O)Nc3cc(C(=O)[O-])ccc3Cl)ccc2O1 ZINC001594615083 986630857 /nfs/dbraw/zinc/63/08/57/986630857.db2.gz KKEZIHWPTYEXRG-SECBINFHSA-N -1 0 331.755 3.614 20 0 EHADRM C[C@H]1Cc2cccc(F)c2N(C(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC001594619249 986648650 /nfs/dbraw/zinc/64/86/50/986648650.db2.gz COOIFUPDIWCWKF-JTQLQIEISA-N -1 0 331.318 3.502 20 0 EHADRM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001594623051 986670933 /nfs/dbraw/zinc/67/09/33/986670933.db2.gz RPCGKYBLFXOQCT-ZMZPIMSZSA-N -1 0 342.370 3.508 20 0 EHADRM C[C@@H](C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC001589424132 986688998 /nfs/dbraw/zinc/68/89/98/986688998.db2.gz YSEYECIYPZOIFE-FOGDFJRCSA-N -1 0 344.238 3.857 20 0 EHADRM CCOc1ccc(CN[C@@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])o1 ZINC001597100727 986708946 /nfs/dbraw/zinc/70/89/46/986708946.db2.gz FHEICGQNSVXCLM-YJBOKZPZSA-N -1 0 343.423 3.731 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(C(=O)[O-])cn1)c1ccc(C(F)(F)F)cc1 ZINC001589430601 986719600 /nfs/dbraw/zinc/71/96/00/986719600.db2.gz BAHGDSKLEIWTFU-SECBINFHSA-N -1 0 338.285 3.541 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(C(=O)[O-])c(O)c1)c1cc2ccccc2o1 ZINC001589431063 986723516 /nfs/dbraw/zinc/72/35/16/986723516.db2.gz CYMMDHOMHJLDRV-SNVBAGLBSA-N -1 0 325.320 3.579 20 0 EHADRM CCOc1ccc(N[C@@H](C(=O)[O-])c2ccccc2Cl)cc1OC ZINC001597122815 986820378 /nfs/dbraw/zinc/82/03/78/986820378.db2.gz GQJAYMYKSZWNPZ-MRXNPFEDSA-N -1 0 335.787 3.985 20 0 EHADRM C[C@H]1OCC[C@H]1SCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001594648360 986854008 /nfs/dbraw/zinc/85/40/08/986854008.db2.gz IIVJXNZEDAEUOK-QMTHXVAHSA-N -1 0 335.450 3.919 20 0 EHADRM C[C@H]1Oc2ccccc2[C@@H]1NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001594651521 986876832 /nfs/dbraw/zinc/87/68/32/986876832.db2.gz SLQFXBRMTFRWQJ-RFAUZJTJSA-N -1 0 346.770 3.682 20 0 EHADRM CCOc1cccc(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)c1 ZINC001597145567 986906374 /nfs/dbraw/zinc/90/63/74/986906374.db2.gz HRPFFAZOYHKAMC-UHFFFAOYSA-N -1 0 337.734 3.828 20 0 EHADRM CCOc1cccc(/C=C/C(=O)Nc2cc(C(=O)[O-])ccc2F)c1 ZINC001597149924 986922704 /nfs/dbraw/zinc/92/27/04/986922704.db2.gz MTWDYFOXQFXVMY-RMKNXTFCSA-N -1 0 329.327 3.575 20 0 EHADRM CCOc1cccc(/C=C/C(=O)OCc2cc(C(=O)[O-])ccc2C)c1 ZINC001597150876 986931363 /nfs/dbraw/zinc/93/13/63/986931363.db2.gz ZPDWOHCIMAHZDQ-CSKARUKUSA-N -1 0 340.375 3.849 20 0 EHADRM CCOc1cccc(CCC(=O)Nc2ccc(C)c(C)c2C(=O)[O-])c1 ZINC001597153201 986935805 /nfs/dbraw/zinc/93/58/05/986935805.db2.gz DSHFNWJOKMYKSM-UHFFFAOYSA-N -1 0 341.407 3.972 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NCc1c(Cl)cncc1Cl)c1ccccc1 ZINC001589469627 986945397 /nfs/dbraw/zinc/94/53/97/986945397.db2.gz WJAWGQZGVXFEEG-BMIGLBTASA-N -1 0 339.222 3.940 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)[C@@H](c1ccncc1)C1CCCCC1)C1CCC1 ZINC001589469805 986947651 /nfs/dbraw/zinc/94/76/51/986947651.db2.gz YXGNKFOZLWOVRN-KBXCAEBGSA-N -1 0 344.455 3.600 20 0 EHADRM CCOc1ccccc1-c1cccc(C(=O)O[C@@H](C(=O)[O-])C2CC2)c1 ZINC001597168096 986995170 /nfs/dbraw/zinc/99/51/70/986995170.db2.gz XYPXLNVNVNLNBG-GOSISDBHSA-N -1 0 340.375 3.772 20 0 EHADRM CCOc1ncccc1C(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC001597200583 987101243 /nfs/dbraw/zinc/10/12/43/987101243.db2.gz LTODLVKOITZRAG-UHFFFAOYSA-N -1 0 336.347 3.584 20 0 EHADRM CCC(=O)N1CCc2ccc(NCc3ccc(C(=O)[O-])c(C)c3)cc21 ZINC001594705794 987149838 /nfs/dbraw/zinc/14/98/38/987149838.db2.gz MKRJAOJZXWAXQP-UHFFFAOYSA-N -1 0 338.407 3.604 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cnc(-c3ccccc3)nc2)cc1 ZINC001589520719 987162941 /nfs/dbraw/zinc/16/29/41/987162941.db2.gz BYRPLSWPSDWOGJ-ZDUSSCGKSA-N -1 0 347.374 3.584 20 0 EHADRM CCC(=O)c1ccc(C(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)cc1 ZINC001594717171 987192214 /nfs/dbraw/zinc/19/22/14/987192214.db2.gz QFBICUWWUSZHRU-UHFFFAOYSA-N -1 0 344.392 3.564 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001589531120 987199762 /nfs/dbraw/zinc/19/97/62/987199762.db2.gz BCERWKWZQKBQAC-XJKSGUPXSA-N -1 0 348.443 3.686 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cc3c(cccc3F)[nH]2)c1 ZINC001589531642 987205335 /nfs/dbraw/zinc/20/53/35/987205335.db2.gz IWUVBMNQFSSJAY-JTQLQIEISA-N -1 0 326.327 3.747 20 0 EHADRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1)c1ccc(F)cc1 ZINC001594728346 987233917 /nfs/dbraw/zinc/23/39/17/987233917.db2.gz DWUYZBLAZPMKJQ-SJORKVTESA-N -1 0 347.361 3.791 20 0 EHADRM CCS[C@H](C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1)C(C)C ZINC001597251156 987240475 /nfs/dbraw/zinc/24/04/75/987240475.db2.gz HBMVPUDVOYLDDG-CABCVRRESA-N -1 0 329.506 3.552 20 0 EHADRM C[C@@H](C(=O)O[C@H](Cc1ccccc1)C(=O)[O-])c1ccc(Cl)s1 ZINC001589540758 987247641 /nfs/dbraw/zinc/24/76/41/987247641.db2.gz QXMLQQMHBSYGDJ-ZYHUDNBSSA-N -1 0 338.812 3.744 20 0 EHADRM C[C@H](C(=O)O[C@@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)c1ccc(Cl)s1 ZINC001589544334 987264670 /nfs/dbraw/zinc/26/46/70/987264670.db2.gz ZBEOORKUNOTFJX-VPJKUYQRSA-N -1 0 328.817 3.548 20 0 EHADRM C[C@@H](C(=O)OCc1csc(C(=O)[O-])c1)c1ccc(F)c(F)c1 ZINC001589545920 987266496 /nfs/dbraw/zinc/26/64/96/987266496.db2.gz DLXYNDDWDZQBCV-MRVPVSSYSA-N -1 0 326.320 3.571 20 0 EHADRM CC[C@H](C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1)c1c(C)noc1C ZINC001594735690 987271039 /nfs/dbraw/zinc/27/10/39/987271039.db2.gz QEWBUQHHQDURIX-LBPRGKRZSA-N -1 0 341.367 3.603 20 0 EHADRM CC[C@@H](C(=O)Nc1cccc(OCC(=O)[O-])c1)C1CCC(C)CC1 ZINC001594736266 987276132 /nfs/dbraw/zinc/27/61/32/987276132.db2.gz WPACLACOCMGXNC-MQBCKMQZSA-N -1 0 333.428 3.941 20 0 EHADRM CC[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])C1CCC(C)CC1 ZINC001594736517 987277764 /nfs/dbraw/zinc/27/77/64/987277764.db2.gz NGTKSWNMIXUOET-KXIUCKCTSA-N -1 0 331.456 3.651 20 0 EHADRM C[C@@H](C(=O)Oc1ccc(N(C)C)c(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001589552929 987288306 /nfs/dbraw/zinc/28/83/06/987288306.db2.gz KDGLLUAQMBCUBZ-LLVKDONJSA-N -1 0 347.798 3.813 20 0 EHADRM CCSCc1ccccc1C(=O)N(CC(=O)[O-])c1ccccc1 ZINC001597264942 987293235 /nfs/dbraw/zinc/29/32/35/987293235.db2.gz DWASDGBEOYDTOU-UHFFFAOYSA-N -1 0 329.421 3.671 20 0 EHADRM CCSCc1ccccc1C(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC001597265137 987294681 /nfs/dbraw/zinc/29/46/81/987294681.db2.gz JRIOGJOPACWKEO-UHFFFAOYSA-N -1 0 335.469 3.799 20 0 EHADRM CCSCc1ccc(NC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)cc1 ZINC001597265506 987298672 /nfs/dbraw/zinc/29/86/72/987298672.db2.gz ZXZQYUWLAGXYMY-XOUADPBQSA-N -1 0 348.468 3.561 20 0 EHADRM CCSc1cccc(C(=O)Nc2cc(COC)cc(C(=O)[O-])c2)c1 ZINC001597272650 987322390 /nfs/dbraw/zinc/32/23/90/987322390.db2.gz HFNDRAZNTXYDHS-UHFFFAOYSA-N -1 0 345.420 3.896 20 0 EHADRM CC(C)(C(=O)NCc1ccc(C(=O)[O-])nc1)c1ccc2ccccc2c1 ZINC001589572393 987344137 /nfs/dbraw/zinc/34/41/37/987344137.db2.gz ONIUPFGXTUYVJW-UHFFFAOYSA-N -1 0 348.402 3.527 20 0 EHADRM CC(C)(C(=O)Nc1ccc(C(=O)[O-])c(O)c1)c1ccccc1Cl ZINC001589576478 987355532 /nfs/dbraw/zinc/35/55/32/987355532.db2.gz OKXUAYLLCXDSGC-UHFFFAOYSA-N -1 0 333.771 3.660 20 0 EHADRM CC[C@@H]1C[C@H]1C(=O)N(C)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001597297729 987402253 /nfs/dbraw/zinc/40/22/53/987402253.db2.gz YBLZNIXGDFWBKT-JQEORGNBSA-N -1 0 330.211 3.624 20 0 EHADRM CC[C@@H]1C[C@H]1C(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001597299739 987404412 /nfs/dbraw/zinc/40/44/12/987404412.db2.gz JINJJOOYMLIQRF-MWLCHTKSSA-N -1 0 327.833 3.891 20 0 EHADRM CC[C@H](NC(=O)Cn1cc(C(=O)[O-])c2ccccc21)c1ccccc1 ZINC001597334173 987467951 /nfs/dbraw/zinc/46/79/51/987467951.db2.gz HFXUSERYIMAXLL-KRWDZBQOSA-N -1 0 336.391 3.607 20 0 EHADRM CCc1[nH]c(C(=O)N2CC[C@H](c3ccccc3C)C2)c(C)c1C(=O)[O-] ZINC001597362058 987525431 /nfs/dbraw/zinc/52/54/31/987525431.db2.gz ZUNOMWLTFQQOOY-AWEZNQCLSA-N -1 0 340.423 3.522 20 0 EHADRM CCc1[nH]c(C(=O)Nc2ccc(F)cc2OC(C)C)c(C)c1C(=O)[O-] ZINC001597372566 987555825 /nfs/dbraw/zinc/55/58/25/987555825.db2.gz CHIQVYZRARPVOQ-UHFFFAOYSA-N -1 0 348.374 3.762 20 0 EHADRM CCc1[nH]c(C(=O)Nc2ccc(OC(C)C)cc2)c(C)c1C(=O)[O-] ZINC001597373231 987557085 /nfs/dbraw/zinc/55/70/85/987557085.db2.gz PJAOOTNDTBTSHE-UHFFFAOYSA-N -1 0 330.384 3.623 20 0 EHADRM CCc1[nH]c(C(=O)Nc2cc(Cl)ccc2N(C)C)c(C)c1C(=O)[O-] ZINC001597373644 987558406 /nfs/dbraw/zinc/55/84/06/987558406.db2.gz VQSUUSGHBIXADI-UHFFFAOYSA-N -1 0 349.818 3.555 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)[C@@]2(C)CCc3ccccc32)c1 ZINC001589644008 987575902 /nfs/dbraw/zinc/57/59/02/987575902.db2.gz KLHIVXSVQGCVAC-NRFANRHFSA-N -1 0 338.403 3.858 20 0 EHADRM CCc1c2ccccc2oc1C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001597411494 987699668 /nfs/dbraw/zinc/69/96/68/987699668.db2.gz CFNFRCDMTXAXSN-UHFFFAOYSA-N -1 0 344.754 3.994 20 0 EHADRM CC(C)(C(=O)OCc1cc(C(=O)[O-])co1)c1cccc(Cl)c1F ZINC001589681662 987713294 /nfs/dbraw/zinc/71/32/94/987713294.db2.gz XXUVGOQFYQCYOI-UHFFFAOYSA-N -1 0 340.734 3.791 20 0 EHADRM CC(C)(C)C(=O)c1ccsc1NC(=O)c1cccc(CC(=O)[O-])c1 ZINC001589698599 987781763 /nfs/dbraw/zinc/78/17/63/987781763.db2.gz DEVVKTHMEMLGCB-UHFFFAOYSA-N -1 0 345.420 3.856 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)COC2CCC(C)CC2)s1 ZINC001597441232 987802844 /nfs/dbraw/zinc/80/28/44/987802844.db2.gz SOJDBHFOSMSHND-UHFFFAOYSA-N -1 0 325.430 3.543 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2nsc3ccccc32)s1 ZINC001597444970 987815021 /nfs/dbraw/zinc/81/50/21/987815021.db2.gz GHQUQGUJFDDZQW-UHFFFAOYSA-N -1 0 332.406 3.871 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)/C=C/c1cnc2ccccc2n1 ZINC001597450102 987837826 /nfs/dbraw/zinc/83/78/26/987837826.db2.gz RANQUFPQJFFMFZ-CSKARUKUSA-N -1 0 347.374 3.542 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)C[C@@]1(C)CC1(Cl)Cl ZINC001597450342 987839494 /nfs/dbraw/zinc/83/94/94/987839494.db2.gz WTVCTRVIIGJSRF-AWEZNQCLSA-N -1 0 330.211 3.860 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CC(Cc2ccccc2)C1 ZINC001597451870 987844498 /nfs/dbraw/zinc/84/44/98/987844498.db2.gz BBRJVEOIICONAO-UHFFFAOYSA-N -1 0 338.407 3.654 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@@H]1c1cc(C)no1 ZINC001597453927 987858442 /nfs/dbraw/zinc/85/84/42/987858442.db2.gz WGWSGZPAVMNWJF-OAHLLOKOSA-N -1 0 343.383 3.613 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N(CCOC)[C@H]1CC[C@@H](C)C1 ZINC001597454101 987859650 /nfs/dbraw/zinc/85/96/50/987859650.db2.gz YSDATUUIIMSZEI-CJNGLKHVSA-N -1 0 348.443 3.616 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC001589718511 987875428 /nfs/dbraw/zinc/87/54/28/987875428.db2.gz OSXYJOZDTQCDCC-SNVBAGLBSA-N -1 0 337.725 3.588 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCC[C@]1(C)C[C@]1(F)Cl ZINC001597457927 987878511 /nfs/dbraw/zinc/87/85/11/987878511.db2.gz PMBKJVKTOFJZJD-HZPDHXFCSA-N -1 0 342.798 3.773 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cc(-c2ccccc2)no1 ZINC001597464971 987900533 /nfs/dbraw/zinc/90/05/33/987900533.db2.gz NNNYHOBZSMSQMS-UHFFFAOYSA-N -1 0 336.347 3.855 20 0 EHADRM CC(C)(C)C1CCC(CC(=O)NCCSCCC(=O)[O-])CC1 ZINC001589725918 987903879 /nfs/dbraw/zinc/90/38/79/987903879.db2.gz BUUYGYLHPOKUBK-UHFFFAOYSA-N -1 0 329.506 3.553 20 0 EHADRM CC(C)(C)C1CC(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)C1 ZINC001589726936 987917002 /nfs/dbraw/zinc/91/70/02/987917002.db2.gz SSPFFXHATORPGG-UHFFFAOYSA-N -1 0 326.396 3.944 20 0 EHADRM CCc1cc(C)cc(CC)c1NC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001597471523 987935417 /nfs/dbraw/zinc/93/54/17/987935417.db2.gz QFTBOPRMVOIUTN-VQHPVUNQSA-N -1 0 344.455 3.741 20 0 EHADRM CCc1cc(O)ccc1NC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001597482288 987977405 /nfs/dbraw/zinc/97/74/05/987977405.db2.gz DBDJKAUFMSTDSQ-LBPRGKRZSA-N -1 0 342.395 3.862 20 0 EHADRM CS[C@@H]1CCC[C@H](NC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC001599789294 987978958 /nfs/dbraw/zinc/97/89/58/987978958.db2.gz RLCRYYAKUJVAHX-XUWVNRHRSA-N -1 0 348.468 3.670 20 0 EHADRM CC(C)(C)[C@H]1CN(Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CCO1 ZINC001589735261 987984291 /nfs/dbraw/zinc/98/42/91/987984291.db2.gz PJYJUCHZMBRHTE-GOSISDBHSA-N -1 0 343.423 3.892 20 0 EHADRM CCc1cc2c(nc(C)nc2N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)s1 ZINC001597489172 988008651 /nfs/dbraw/zinc/00/86/51/988008651.db2.gz BCUFFJGNROGQFM-GFCCVEGCSA-N -1 0 347.484 3.889 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001589743032 988020013 /nfs/dbraw/zinc/02/00/13/988020013.db2.gz AKKKDMWZZOTLBG-MRXNPFEDSA-N -1 0 333.472 3.922 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)/C=C/c1ccc(F)c2ccccc12)C(=O)[O-] ZINC001589743114 988021246 /nfs/dbraw/zinc/02/12/46/988021246.db2.gz DDAHMXOKCWDONY-QXLXQBSBSA-N -1 0 343.398 3.998 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)Nc3cc(C(=O)[O-])n(C)c3)o2)cc1 ZINC001597492893 988033614 /nfs/dbraw/zinc/03/36/14/988033614.db2.gz XFEKQNKTJQWZDZ-UHFFFAOYSA-N -1 0 338.363 3.798 20 0 EHADRM CCc1ccc(-c2csc(NC(=O)c3ccc(C(=O)[O-])o3)n2)cc1 ZINC001597492930 988034559 /nfs/dbraw/zinc/03/45/59/988034559.db2.gz YZELPAZKSNYEDR-UHFFFAOYSA-N -1 0 342.376 3.916 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)c1ccc(OC2CCCC2)cc1)C(=O)[O-] ZINC001589751113 988049197 /nfs/dbraw/zinc/04/91/97/988049197.db2.gz IQOHTOILTKYDGM-INIZCTEOSA-N -1 0 333.428 3.627 20 0 EHADRM CCc1ccc(C(=O)CCC(=O)Nc2cc(C)c(C(=O)[O-])s2)cc1 ZINC001597499083 988052128 /nfs/dbraw/zinc/05/21/28/988052128.db2.gz ZPFBUKIUAMRNHP-UHFFFAOYSA-N -1 0 345.420 3.919 20 0 EHADRM CCc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCCC(C)(C)C2)cc1CC ZINC001597500380 988054757 /nfs/dbraw/zinc/05/47/57/988054757.db2.gz LJULOSPPTOXKFW-FQEVSTJZSA-N -1 0 331.456 3.965 20 0 EHADRM COCC1(CSc2n[n-]c(=NC3CCCCC3)s2)CCC1 ZINC000460878223 1032115345 /nfs/dbraw/zinc/11/53/45/1032115345.db2.gz UGWDJUMOSCNZES-UHFFFAOYSA-N -1 0 327.519 3.613 20 0 EHADRM CCc1ccc(C(C)(C)NC(=O)Nc2cnc(C)c(C(=O)[O-])c2)cc1 ZINC001597508136 988084232 /nfs/dbraw/zinc/08/42/32/988084232.db2.gz CPEXTJIOCDIMON-UHFFFAOYSA-N -1 0 341.411 3.707 20 0 EHADRM CCc1ccc(C(C)(C)NC(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC001597509029 988089897 /nfs/dbraw/zinc/08/98/97/988089897.db2.gz VWQUFKLPKOMIQJ-UHFFFAOYSA-N -1 0 325.408 3.921 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)c1nc2ccccc2cc1Cl)C(=O)[O-] ZINC001589761894 988094021 /nfs/dbraw/zinc/09/40/21/988094021.db2.gz QGZDBQUQQRXIPM-ZDUSSCGKSA-N -1 0 335.787 3.934 20 0 EHADRM CSCC[C@H](OC(=O)[C@@H](C)c1ccc2ccccc2c1)C(=O)[O-] ZINC001599796450 988105068 /nfs/dbraw/zinc/10/50/68/988105068.db2.gz OCNIHJVXZAINNM-LRDDRELGSA-N -1 0 332.421 3.693 20 0 EHADRM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2csc(C(=O)[O-])n2)o1 ZINC001597516242 988126131 /nfs/dbraw/zinc/12/61/31/988126131.db2.gz BSIDVEMETWTMDD-GXFFZTMASA-N -1 0 348.424 3.610 20 0 EHADRM CCc1ccc([C@H]2CCCN(C(=O)c3cc(C(=O)[O-])oc3C)C2)cc1 ZINC001597516609 988128689 /nfs/dbraw/zinc/12/86/89/988128689.db2.gz FNYFQEZPOAYBDM-INIZCTEOSA-N -1 0 341.407 3.868 20 0 EHADRM CCc1ccc([C@H]2CCN(C(=O)c3ccc(C(=O)[O-])cc3F)C2)cc1 ZINC001597518517 988138410 /nfs/dbraw/zinc/13/84/10/988138410.db2.gz VIRSVTROIXCCDD-INIZCTEOSA-N -1 0 341.382 3.716 20 0 EHADRM CC(C)(C)CN(C(=O)c1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC001589780214 988149779 /nfs/dbraw/zinc/14/97/79/988149779.db2.gz SPHNDICRJQFLQN-UHFFFAOYSA-N -1 0 341.407 3.843 20 0 EHADRM CSCc1cc(C(=O)N2CCc3c2cccc3C(=O)[O-])ccc1F ZINC001599802046 988193158 /nfs/dbraw/zinc/19/31/58/988193158.db2.gz RLQSOYVWMGQNJD-UHFFFAOYSA-N -1 0 345.395 3.590 20 0 EHADRM CCc1ccc(NC(=O)[C@H](C)Sc2nc(C(=O)[O-])cs2)cc1 ZINC001597542936 988235160 /nfs/dbraw/zinc/23/51/60/988235160.db2.gz MEXHICDYSSPBNA-VIFPVBQESA-N -1 0 336.438 3.523 20 0 EHADRM CCc1ccc(NC(=O)[C@H](C)Cc2ccc(OC)cc2)c(C(=O)[O-])c1 ZINC001597543055 988236551 /nfs/dbraw/zinc/23/65/51/988236551.db2.gz QLFGFUPQOCKMMG-CYBMUJFWSA-N -1 0 341.407 3.773 20 0 EHADRM CSCc1ccccc1NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001599804775 988236671 /nfs/dbraw/zinc/23/66/71/988236671.db2.gz PURMXVDDWZHFNA-UHFFFAOYSA-N -1 0 344.436 3.912 20 0 EHADRM CCc1ccc(NC(=O)[C@@H]2CCc3cccc(OC)c32)c(C(=O)[O-])c1 ZINC001597543216 988240273 /nfs/dbraw/zinc/24/02/73/988240273.db2.gz XCMJMQHBAPONQP-CQSZACIVSA-N -1 0 339.391 3.624 20 0 EHADRM CSc1c(F)cccc1C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-] ZINC001599806384 988262482 /nfs/dbraw/zinc/26/24/82/988262482.db2.gz TUUBSRZVXVEJNB-UHFFFAOYSA-N -1 0 341.448 3.757 20 0 EHADRM CSc1cc(NC(=O)N2CCC(CC(=O)[O-])CC2)ccc1Cl ZINC001599809143 988303707 /nfs/dbraw/zinc/30/37/07/988303707.db2.gz UZHWGBDHCSYQFX-UHFFFAOYSA-N -1 0 342.848 3.781 20 0 EHADRM CSc1cc(NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)ccc1C ZINC001599809263 988305413 /nfs/dbraw/zinc/30/54/13/988305413.db2.gz YXSYNIAMIOFXJS-UHFFFAOYSA-N -1 0 342.420 3.963 20 0 EHADRM CSc1ccc(C(=O)N2CCCc3c(C(=O)[O-])ccc(C)c32)o1 ZINC001599809457 988308925 /nfs/dbraw/zinc/30/89/25/988308925.db2.gz GZASGUXUUSDSAU-UHFFFAOYSA-N -1 0 331.393 3.601 20 0 EHADRM CSc1ccc(C(=O)O[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])o1 ZINC001599810200 988321736 /nfs/dbraw/zinc/32/17/36/988321736.db2.gz KLKOABVISFZNLM-GFCCVEGCSA-N -1 0 340.784 3.508 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)CC2CC(C)(C)C2)cc1 ZINC001599811350 988340017 /nfs/dbraw/zinc/34/00/17/988340017.db2.gz VKBGGRNDYGDRDF-HNNXBMFYSA-N -1 0 335.469 3.867 20 0 EHADRM CCc1ccc2c(c1)CCN2[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001597569869 988340057 /nfs/dbraw/zinc/34/00/57/988340057.db2.gz ZNNUTMIIVKVYGG-CYBMUJFWSA-N -1 0 340.423 3.526 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)C(F)(F)c1cccc(OC)c1 ZINC001597575992 988363055 /nfs/dbraw/zinc/36/30/55/988363055.db2.gz HCDONCZFVQNWFV-UHFFFAOYSA-N -1 0 349.333 3.686 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)[C@H]1CCC(=O)c2ccccc21 ZINC001597576506 988365713 /nfs/dbraw/zinc/36/57/13/988365713.db2.gz MQXVKHUXOGHUON-HNNXBMFYSA-N -1 0 337.375 3.646 20 0 EHADRM CSc1ccc(/C=C/C(=O)Nc2c(C)ccc(C(=O)[O-])c2O)s1 ZINC001599812856 988368718 /nfs/dbraw/zinc/36/87/18/988368718.db2.gz PXOHXDAJRIXDST-QPJJXVBHSA-N -1 0 349.433 3.834 20 0 EHADRM CSc1ccc(Cl)c(NC(=O)NCc2ccc(C(=O)[O-])o2)c1 ZINC001599813895 988387007 /nfs/dbraw/zinc/38/70/07/988387007.db2.gz BTIXFYHVPFJXLP-UHFFFAOYSA-N -1 0 340.788 3.675 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC001599814539 988398809 /nfs/dbraw/zinc/39/88/09/988398809.db2.gz OSQYUYITJMFCCP-SNVBAGLBSA-N -1 0 342.848 3.684 20 0 EHADRM CSc1ccc(Cl)c(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC001599814679 988401319 /nfs/dbraw/zinc/40/13/19/988401319.db2.gz NANANCWSXJYIAE-VHSXEESVSA-N -1 0 327.833 3.891 20 0 EHADRM CSc1ccc(Cl)c(NC(=O)NCC2(C(=O)[O-])CCCC2)c1 ZINC001599815122 988408799 /nfs/dbraw/zinc/40/87/99/988408799.db2.gz ZSVPDTBIRZSSQA-UHFFFAOYSA-N -1 0 342.848 3.828 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1ccc(-n2cccn2)c(C)c1 ZINC001597591742 988415670 /nfs/dbraw/zinc/41/56/70/988415670.db2.gz HMZBDDYKMBXPIE-UHFFFAOYSA-N -1 0 349.390 3.694 20 0 EHADRM CSc1ccc(NC(=O)c2cccnc2OC(C)C)cc1C(=O)[O-] ZINC001599817203 988447291 /nfs/dbraw/zinc/44/72/91/988447291.db2.gz HOHQXSNGRKUIMY-UHFFFAOYSA-N -1 0 346.408 3.541 20 0 EHADRM CSc1cccc(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)n1 ZINC001599821649 988524148 /nfs/dbraw/zinc/52/41/48/988524148.db2.gz GTOUOZLHHGNRHD-UHFFFAOYSA-N -1 0 338.388 3.907 20 0 EHADRM CSc1cccc(C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)n1 ZINC001599822450 988538421 /nfs/dbraw/zinc/53/84/21/988538421.db2.gz ROGZWIACLAQWDX-UHFFFAOYSA-N -1 0 346.408 3.541 20 0 EHADRM CCc1cccnc1C(=O)Nc1cc(C(=O)[O-])cc(Cl)c1Cl ZINC001597621635 988550771 /nfs/dbraw/zinc/55/07/71/988550771.db2.gz DZSHCGSFQXBHTI-UHFFFAOYSA-N -1 0 339.178 3.901 20 0 EHADRM CSc1ccccc1C(=O)N1c2ccccc2C[C@H](C)[C@@H]1C(=O)[O-] ZINC001599823527 988556138 /nfs/dbraw/zinc/55/61/38/988556138.db2.gz VFDDUGRSTSDPNI-YVEFUNNKSA-N -1 0 341.432 3.701 20 0 EHADRM CSc1cccc(F)c1C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001599824145 988567953 /nfs/dbraw/zinc/56/79/53/988567953.db2.gz PWWFAVSECJZNJZ-UHFFFAOYSA-N -1 0 337.347 3.566 20 0 EHADRM CSc1ccccc1N[C@@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001599825356 988589287 /nfs/dbraw/zinc/58/92/87/988589287.db2.gz UZVDUIVYRORXNY-LBPRGKRZSA-N -1 0 344.436 3.936 20 0 EHADRM CCc1cnc(CN2CCC[C@H]2c2nc(C(=O)[O-])c(C)s2)s1 ZINC001597629079 988591075 /nfs/dbraw/zinc/59/10/75/988591075.db2.gz QJTGQPMJXLBINE-NSHDSACASA-N -1 0 337.470 3.506 20 0 EHADRM CCc1[nH]nc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1-c1cccs1 ZINC001597645371 988664313 /nfs/dbraw/zinc/66/43/13/988664313.db2.gz ZPABFCGBESYGTI-MNOVXSKESA-N -1 0 347.440 3.530 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(F)c1 ZINC001599831522 988682570 /nfs/dbraw/zinc/68/25/70/988682570.db2.gz CNZXVFRWTYFOSJ-LBPRGKRZSA-N -1 0 349.789 3.524 20 0 EHADRM CCc1nc(C(C)C)ccc1CN[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001597652565 988699273 /nfs/dbraw/zinc/69/92/73/988699273.db2.gz PCVUBLBYTMJBSV-NSHDSACASA-N -1 0 333.457 3.773 20 0 EHADRM CCc1nc(C)c(C(=O)Nc2cccc3cc(C(=O)[O-])sc32)o1 ZINC001597658054 988722322 /nfs/dbraw/zinc/72/23/22/988722322.db2.gz SLXJHUSYWFRCOG-UHFFFAOYSA-N -1 0 330.365 3.711 20 0 EHADRM CCc1nc(CN[C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)cs1 ZINC001597669786 988759908 /nfs/dbraw/zinc/75/99/08/988759908.db2.gz HOCFYSOINAUAJY-ZDUSSCGKSA-N -1 0 344.358 3.797 20 0 EHADRM C[C@@H](NC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1)C1CCCCCC1 ZINC001599837397 988766152 /nfs/dbraw/zinc/76/61/52/988766152.db2.gz BGRODEFRXFTLPL-ZTQAJYAQSA-N -1 0 329.440 3.720 20 0 EHADRM C[C@@H](Cc1ccccc1)C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1 ZINC001599837508 988768522 /nfs/dbraw/zinc/76/85/22/988768522.db2.gz KYEUTOUZOXLWBS-JTQLQIEISA-N -1 0 330.409 3.536 20 0 EHADRM C[C@@H](NC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1)C1CCCC1 ZINC001599840049 988810718 /nfs/dbraw/zinc/81/07/18/988810718.db2.gz UUZBECPNBKQLFN-GFCCVEGCSA-N -1 0 344.411 3.551 20 0 EHADRM CCc1ncc(C(=O)O[C@@H]2CCCc3cc(C(=O)[O-])ccc32)s1 ZINC001597697299 988906303 /nfs/dbraw/zinc/90/63/03/988906303.db2.gz VYKYQOUHIABWHX-CYBMUJFWSA-N -1 0 331.393 3.638 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2Cl)C[C@H]1CC(=O)[O-] ZINC001599863042 989200171 /nfs/dbraw/zinc/20/01/71/989200171.db2.gz GIGPNNHHDCPRAX-RKDXNWHRSA-N -1 0 349.736 3.542 20 0 EHADRM CCc1oc2ccccc2c1CC(=O)Nc1cnc(C)c(C(=O)[O-])c1 ZINC001597807817 989421575 /nfs/dbraw/zinc/42/15/75/989421575.db2.gz LQPPZXWRMZUMMJ-UHFFFAOYSA-N -1 0 338.363 3.578 20 0 EHADRM CCc1sc(CCCC(=O)[O-])nc1-c1ccc(NC(C)=O)cc1 ZINC001597821210 989464255 /nfs/dbraw/zinc/46/42/55/989464255.db2.gz WSTJECHICIXYQS-UHFFFAOYSA-N -1 0 332.425 3.738 20 0 EHADRM C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1Cc1ccc(C(=O)[O-])o1 ZINC001599881416 989489726 /nfs/dbraw/zinc/48/97/26/989489726.db2.gz BIMODWSEVWTJKJ-BZNIZROVSA-N -1 0 335.787 3.593 20 0 EHADRM CCn1c(C(=O)N2CCCc3c(C(=O)[O-])cccc32)cc2ccccc21 ZINC001597837400 989528752 /nfs/dbraw/zinc/52/87/52/989528752.db2.gz XBPXVIQYRHLJNF-UHFFFAOYSA-N -1 0 348.402 3.952 20 0 EHADRM CCn1c2ccccc2nc1[C@H](C)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001597841169 989540686 /nfs/dbraw/zinc/54/06/86/989540686.db2.gz YDDUGTFECGVFBM-WDEREUQCSA-N -1 0 344.440 3.623 20 0 EHADRM CC(C)(C)OC(=O)NCCSCc1c(Cl)cccc1C(=O)[O-] ZINC001590202532 989573777 /nfs/dbraw/zinc/57/37/77/989573777.db2.gz YYCZJSWYLCUTTF-UHFFFAOYSA-N -1 0 345.848 3.796 20 0 EHADRM CCn1nc(C(C)C)cc1C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001597928187 989882028 /nfs/dbraw/zinc/88/20/28/989882028.db2.gz MSFYTPZRAIRVIO-UHFFFAOYSA-N -1 0 336.775 3.597 20 0 EHADRM CC(C)(C)Oc1ccccc1NC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001590419561 989960319 /nfs/dbraw/zinc/96/03/19/989960319.db2.gz CJUUIYKOMNQUQJ-CQSZACIVSA-N -1 0 348.443 3.973 20 0 EHADRM CC(C)(C)SCCCC(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC001590429418 989981257 /nfs/dbraw/zinc/98/12/57/989981257.db2.gz HIBBCFSIRGVYIN-UHFFFAOYSA-N -1 0 337.485 3.802 20 0 EHADRM CC(C)(C)SCCCC(=O)Nc1c(F)ccc(F)c1C(=O)[O-] ZINC001590429443 989981514 /nfs/dbraw/zinc/98/15/14/989981514.db2.gz IMHLKWASXIWLRS-UHFFFAOYSA-N -1 0 331.384 3.913 20 0 EHADRM CC(C)(C)Sc1ccc(NC(=O)Nc2ccn(CC(=O)[O-])n2)cc1 ZINC001590434777 989992710 /nfs/dbraw/zinc/99/27/10/989992710.db2.gz JLPKHCZPSLFSPC-UHFFFAOYSA-N -1 0 348.428 3.502 20 0 EHADRM CC(C)(C)c1cc(C(=O)N[C@H](C(=O)[O-])C2CC2)c(O)c(C(C)(C)C)c1 ZINC001590454127 990020524 /nfs/dbraw/zinc/02/05/24/990020524.db2.gz MORVJYNSECGNPU-HNNXBMFYSA-N -1 0 347.455 3.580 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)/C=C\c2nccs2)s1 ZINC001590460845 990023624 /nfs/dbraw/zinc/02/36/24/990023624.db2.gz BUPZXIJAAQLIIC-PLNGDYQASA-N -1 0 336.438 3.852 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])cc1Cl ZINC001590472138 990043644 /nfs/dbraw/zinc/04/36/44/990043644.db2.gz KJUHGLNTUNSFLD-GFCCVEGCSA-N -1 0 345.773 3.572 20 0 EHADRM CC(C)(C)c1ccc(-c2nnc(SCC(=O)CCC(=O)[O-])o2)cc1 ZINC001590472858 990046383 /nfs/dbraw/zinc/04/63/83/990046383.db2.gz ZBPZVXYLJMIHHO-UHFFFAOYSA-N -1 0 348.424 3.560 20 0 EHADRM CC(C)(C)c1ccc([C@H]2CCCN2C(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC001590479921 990057766 /nfs/dbraw/zinc/05/77/66/990057766.db2.gz MKPWCTUCYDTAGD-QGZVFWFLSA-N -1 0 340.423 3.988 20 0 EHADRM CC(C)(C)c1ccc(CCNC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC001590485195 990082468 /nfs/dbraw/zinc/08/24/68/990082468.db2.gz QYQOATKXJIRVHX-PKNBQFBNSA-N -1 0 341.407 3.647 20 0 EHADRM CC(C)(C)c1ccc(CNC(=O)c2ccc(C(=O)[O-])c(F)c2)s1 ZINC001590487987 990090511 /nfs/dbraw/zinc/09/05/11/990090511.db2.gz YVGYDQWOMANGNN-UHFFFAOYSA-N -1 0 335.400 3.813 20 0 EHADRM CC(C)(C)c1ccc(NC[C@@H](O)COc2ccc(C(=O)[O-])cc2)cc1 ZINC001590493293 990095683 /nfs/dbraw/zinc/09/56/83/990095683.db2.gz IZLNGOJODNYRSM-QGZVFWFLSA-N -1 0 343.423 3.534 20 0 EHADRM CN(C(=O)C12CCC(C(=O)[O-])(CC1)CC2)c1nsc2ccccc21 ZINC001597995849 990100840 /nfs/dbraw/zinc/10/08/40/990100840.db2.gz CQMMYPRYJYUFAG-UHFFFAOYSA-N -1 0 344.436 3.684 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001590506160 990122411 /nfs/dbraw/zinc/12/24/11/990122411.db2.gz SXZQTMASEPXKBQ-UHFFFAOYSA-N -1 0 340.423 3.933 20 0 EHADRM CC(C)(C)c1ccccc1C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC001590506429 990123396 /nfs/dbraw/zinc/12/33/96/990123396.db2.gz XFGWOGUHQWRBMO-UHFFFAOYSA-N -1 0 330.355 3.970 20 0 EHADRM CC(C)(C)c1coc(CN[C@@H]2CCCc3ccc(C(=O)[O-])cc32)n1 ZINC001590526885 990138616 /nfs/dbraw/zinc/13/86/16/990138616.db2.gz MOSVVEVCNAXWPV-OAHLLOKOSA-N -1 0 328.412 3.838 20 0 EHADRM CN(C(=O)CC1(C)CCCC1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598008715 990173080 /nfs/dbraw/zinc/17/30/80/990173080.db2.gz ZCEAPHXNCBABFN-HNNXBMFYSA-N -1 0 343.345 3.658 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)c3csc(C(=O)[O-])n3)ccc2o1 ZINC001590545578 990183831 /nfs/dbraw/zinc/18/38/31/990183831.db2.gz KQEOLCOJFVKDKC-UHFFFAOYSA-N -1 0 345.380 3.532 20 0 EHADRM CC(C)(/C=C\Cl)NC(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001590615077 990286340 /nfs/dbraw/zinc/28/63/40/990286340.db2.gz IKNLQMVBLKNOHD-WAYWQWQTSA-N -1 0 333.775 3.586 20 0 EHADRM CN(C(=O)Nc1cc(C(=O)[O-])cc2cccnc21)C1CC(C)(C)C1 ZINC001598056816 990319634 /nfs/dbraw/zinc/31/96/34/990319634.db2.gz VFNZWUAQMLGJHV-UHFFFAOYSA-N -1 0 327.384 3.585 20 0 EHADRM CN(C(=O)Nc1ccc(F)c(C(=O)[O-])c1F)C1CCC(F)(F)CC1 ZINC001598060596 990329925 /nfs/dbraw/zinc/32/99/25/990329925.db2.gz PYLKCZXUKDDWNT-UHFFFAOYSA-N -1 0 348.296 3.705 20 0 EHADRM CC(C)(CNC(=O)C(C)(C)Cc1ccc(Cl)cc1)CC(=O)[O-] ZINC001590705498 990444344 /nfs/dbraw/zinc/44/43/44/990444344.db2.gz FJYVKTRGGRGHGX-UHFFFAOYSA-N -1 0 325.836 3.526 20 0 EHADRM CN(C(=O)c1ccoc1CC(=O)[O-])C1c2ccccc2-c2ccccc21 ZINC001598095953 990448329 /nfs/dbraw/zinc/44/83/29/990448329.db2.gz CNJHFXAVQUGPON-UHFFFAOYSA-N -1 0 347.370 3.749 20 0 EHADRM CN(C(=O)c1ccsc1CC(=O)[O-])c1ccc2ccccc2c1 ZINC001598096142 990449399 /nfs/dbraw/zinc/44/93/99/990449399.db2.gz IEXQFGYKGDMLDY-UHFFFAOYSA-N -1 0 325.389 3.805 20 0 EHADRM CC(C)(CNC(=O)Cc1coc2ccc3ccccc3c12)CC(=O)[O-] ZINC001590713635 990470184 /nfs/dbraw/zinc/47/01/84/990470184.db2.gz XHVFVQWQQYPXFY-UHFFFAOYSA-N -1 0 339.391 3.746 20 0 EHADRM CC(C)(CNC(=O)NCCc1ccccc1C(=O)[O-])C1CCCCC1 ZINC001590726405 990517558 /nfs/dbraw/zinc/51/75/58/990517558.db2.gz SUFDLYPHLHLIHY-UHFFFAOYSA-N -1 0 346.471 3.833 20 0 EHADRM CC(C)(Cc1nc(-c2cccc(C(=O)[O-])c2)no1)CC(F)(F)F ZINC001590827397 990675572 /nfs/dbraw/zinc/67/55/72/990675572.db2.gz RMXMPWVGEYMUBA-UHFFFAOYSA-N -1 0 328.290 3.956 20 0 EHADRM CC(C)(NC(=O)Nc1cccc(CCC(=O)[O-])c1)c1cccc(F)c1 ZINC001590856032 990744265 /nfs/dbraw/zinc/74/42/65/990744265.db2.gz XQDAQFYSOYELNA-UHFFFAOYSA-N -1 0 344.386 3.900 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)N(Cc2ccccc2)[C@H](C)C(=O)[O-])C1(C)C ZINC001590914630 990899427 /nfs/dbraw/zinc/89/94/27/990899427.db2.gz JWWDGGKYHKYJFN-OIISXLGYSA-N -1 0 329.440 3.727 20 0 EHADRM CC(C)=CCNC(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC001590925137 990923790 /nfs/dbraw/zinc/92/37/90/990923790.db2.gz VWEQAUVEIWMFGS-UHFFFAOYSA-N -1 0 341.205 3.543 20 0 EHADRM COc1cccc([C@H](NC(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)C(=O)[O-])c1 ZINC001599685602 990982265 /nfs/dbraw/zinc/98/22/65/990982265.db2.gz VSCDZGKSRNCAMN-GLJUWKHASA-N -1 0 347.455 3.790 20 0 EHADRM CC(C)C(=O)c1ccc(NC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)cc1 ZINC001590949517 991007686 /nfs/dbraw/zinc/00/76/86/991007686.db2.gz SBPLZWOFIYABCE-CQSZACIVSA-N -1 0 334.416 3.536 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001590967652 991084150 /nfs/dbraw/zinc/08/41/50/991084150.db2.gz CSFQKUMZJJFELJ-WMQCIHAUSA-N -1 0 343.467 3.605 20 0 EHADRM CC(C)[C@](C)(Cc1ccc(Cl)cc1)NC(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001590969011 991093468 /nfs/dbraw/zinc/09/34/68/991093468.db2.gz XJQFAVNAJSOTIL-SFHVURJKSA-N -1 0 348.830 3.754 20 0 EHADRM CC(C)[C@H](CCc1ccccc1)C(=O)OCc1cccc(C(=O)[O-])n1 ZINC001590980525 991132913 /nfs/dbraw/zinc/13/29/13/991132913.db2.gz GUIFDTSNFPOBGX-KRWDZBQOSA-N -1 0 341.407 3.728 20 0 EHADRM CC(C)[C@H](CNc1ccc2cnn(CC(=O)[O-])c2c1)c1ccccc1 ZINC001590988043 991177720 /nfs/dbraw/zinc/17/77/20/991177720.db2.gz JSANPQJHKSFILW-SFHVURJKSA-N -1 0 337.423 3.973 20 0 EHADRM COc1ccccc1[C@H](C)SCC(=O)c1cc(C(=O)[O-])[nH]c1C ZINC001599698834 991189201 /nfs/dbraw/zinc/18/92/01/991189201.db2.gz RUHGQXXPMXPGOC-NSHDSACASA-N -1 0 333.409 3.707 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)C[C@@H]1CCc2ccccc21 ZINC001598293844 991212164 /nfs/dbraw/zinc/21/21/64/991212164.db2.gz RYVICXKYHCBPET-AWEZNQCLSA-N -1 0 338.407 3.509 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)N1CCC(C(C)(C)C)CC1 ZINC001598294808 991221618 /nfs/dbraw/zinc/22/16/18/991221618.db2.gz NWXFJXWMSCAXNL-UHFFFAOYSA-N -1 0 347.459 3.741 20 0 EHADRM CC(C)[C@H](NC(=O)c1ccc(C(=O)[O-])n1C)c1ccccc1Cl ZINC001591018608 991297690 /nfs/dbraw/zinc/29/76/90/991297690.db2.gz BYIUUEUDEWSFCA-HNNXBMFYSA-N -1 0 334.803 3.504 20 0 EHADRM CN(C)c1ccc(NC(=O)c2ccccc2CCC(=O)[O-])cc1Cl ZINC001598325887 991345674 /nfs/dbraw/zinc/34/56/74/991345674.db2.gz VMBDDXMXUIEUPY-UHFFFAOYSA-N -1 0 346.814 3.676 20 0 EHADRM CN(C)c1ccc(OC(=O)[C@@H]2CCCC[C@H]2C2CC2)cc1C(=O)[O-] ZINC001598328789 991356410 /nfs/dbraw/zinc/35/64/10/991356410.db2.gz BNGMGTNGVFBBRI-LSDHHAIUSA-N -1 0 331.412 3.573 20 0 EHADRM CN(C)c1ccc(OC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1C(=O)[O-] ZINC001598329466 991362476 /nfs/dbraw/zinc/36/24/76/991362476.db2.gz RRHKDOZTSKDDHQ-QLFBSQMISA-N -1 0 345.439 3.963 20 0 EHADRM CN(C)c1ccc2cc(NC(=O)c3ccsc3C(=O)[O-])ccc2c1 ZINC001598335667 991391003 /nfs/dbraw/zinc/39/10/03/991391003.db2.gz SXNSVEYIJZWIAU-UHFFFAOYSA-N -1 0 340.404 3.918 20 0 EHADRM CN(C)c1cccc2sc(C(=O)Nc3sccc3C(=O)[O-])cc21 ZINC001598342597 991415812 /nfs/dbraw/zinc/41/58/12/991415812.db2.gz SVKZJRYAMZFLES-UHFFFAOYSA-N -1 0 346.433 3.979 20 0 EHADRM CC(C)[C@@H](c1ccccc1)N(C)C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001591052284 991458094 /nfs/dbraw/zinc/45/80/94/991458094.db2.gz OYFOWZKHFBFPIR-INIZCTEOSA-N -1 0 327.384 3.641 20 0 EHADRM CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)OC1CC(CC(=O)[O-])C1 ZINC001591052468 991459069 /nfs/dbraw/zinc/45/90/69/991459069.db2.gz SAPVFBVDNHJGLY-INORYPFCSA-N -1 0 340.803 3.540 20 0 EHADRM CN(CC(=O)C12CC3CC(CC(C3)C1)C2)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598376645 991567981 /nfs/dbraw/zinc/56/79/81/991567981.db2.gz ZMNHNYJCABDQDE-KXDMBUCYSA-N -1 0 341.451 3.530 20 0 EHADRM CC(C)[C@H]1CCC[C@H](NC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C1 ZINC001591080965 991588940 /nfs/dbraw/zinc/58/89/40/991588940.db2.gz FXXMNJULXDDOIF-QWRGUYRKSA-N -1 0 340.370 3.999 20 0 EHADRM CC(C)[C@@H]1CCCN(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)CC1 ZINC001591087773 991612385 /nfs/dbraw/zinc/61/23/85/991612385.db2.gz SHWVIXFMKWFCKE-GFCCVEGCSA-N -1 0 344.415 3.551 20 0 EHADRM COc1nc(N2CCC[C@@H]2c2ccc(Cl)cc2)ccc1C(=O)[O-] ZINC001599731049 991710215 /nfs/dbraw/zinc/71/02/15/991710215.db2.gz SHXUKBXPGUIFEG-CQSZACIVSA-N -1 0 332.787 3.783 20 0 EHADRM CN(CC(=O)[O-])C(=O)/C=C\c1cccc(-c2ccc(Cl)cc2)c1 ZINC001598404285 991710732 /nfs/dbraw/zinc/71/07/32/991710732.db2.gz ZBLOXKNVCIJBRJ-YHYXMXQVSA-N -1 0 329.783 3.563 20 0 EHADRM CC(C)[C@@H]1N(C(=O)NCC(C)(C)CC(=O)[O-])CC12CCCCCC2 ZINC001591100035 991718535 /nfs/dbraw/zinc/71/85/35/991718535.db2.gz UEMFIMXVFMTORQ-INIZCTEOSA-N -1 0 338.492 3.878 20 0 EHADRM CC(C)CC(=O)Nc1ccc(N[C@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC001591110773 991761717 /nfs/dbraw/zinc/76/17/17/991761717.db2.gz AVVOVCCHQYNYLN-LLVKDONJSA-N -1 0 347.440 3.999 20 0 EHADRM CC(C)C[C@H](C)NC(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001591137729 991846466 /nfs/dbraw/zinc/84/64/66/991846466.db2.gz JTECJGHHAHDVHH-GXFFZTMASA-N -1 0 346.349 3.722 20 0 EHADRM CC(C)C[C@@H](Sc1nnc(-c2ccco2)n1CC(C)C)C(=O)[O-] ZINC001591190912 991997295 /nfs/dbraw/zinc/99/72/95/991997295.db2.gz FKINPYCINPEYKN-CYBMUJFWSA-N -1 0 337.445 3.786 20 0 EHADRM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001591220780 992081807 /nfs/dbraw/zinc/08/18/07/992081807.db2.gz CHZVOUBXQFPMOE-YESZJQIVSA-N -1 0 338.492 3.878 20 0 EHADRM CC(C)CC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cs1)C(C)(C)C ZINC001591221552 992087556 /nfs/dbraw/zinc/08/75/56/992087556.db2.gz LAFSYMVSODHDLR-GFCCVEGCSA-N -1 0 347.502 3.576 20 0 EHADRM CC(C)CCCCCC(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2 ZINC001591236557 992118956 /nfs/dbraw/zinc/11/89/56/992118956.db2.gz KQXIMJPUPCNPIL-GFCCVEGCSA-N -1 0 338.473 3.878 20 0 EHADRM CC(C)CCOC(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001591251258 992146080 /nfs/dbraw/zinc/14/60/80/992146080.db2.gz BQHLLKHGHNZTCN-UHFFFAOYSA-N -1 0 348.424 3.781 20 0 EHADRM CC(C)CCOc1ccccc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC001591265885 992174093 /nfs/dbraw/zinc/17/40/93/992174093.db2.gz DHYZGXVBYGGZSI-UHFFFAOYSA-N -1 0 341.407 3.991 20 0 EHADRM CC(C)CCc1ccc(NC(=O)NC[C@@H](CC(=O)[O-])C2CC2)cc1 ZINC001591266880 992182244 /nfs/dbraw/zinc/18/22/44/992182244.db2.gz TVMUESNCRAKXHZ-MRXNPFEDSA-N -1 0 332.444 3.898 20 0 EHADRM CC(C)CCn1c(NC(=O)c2ccc(C(=O)[O-])o2)nc2ccccc21 ZINC001591274504 992194998 /nfs/dbraw/zinc/19/49/98/992194998.db2.gz NYOYFDCLLVVCOB-UHFFFAOYSA-N -1 0 341.367 3.626 20 0 EHADRM CC(C)CN(C(=O)[C@H](C)Sc1ccc(F)cc1)C(C)(C)C(=O)[O-] ZINC001591281335 992214185 /nfs/dbraw/zinc/21/41/85/992214185.db2.gz LOLSNQAJCOWVHF-LBPRGKRZSA-N -1 0 341.448 3.654 20 0 EHADRM CC(C)CN(C(=O)c1cc(Cl)nc(C2CC2)c1)C(C)(C)C(=O)[O-] ZINC001591285160 992222404 /nfs/dbraw/zinc/22/24/04/992222404.db2.gz NAVMMXIQDOSKET-UHFFFAOYSA-N -1 0 338.835 3.574 20 0 EHADRM CS[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC001599780317 992356022 /nfs/dbraw/zinc/35/60/22/992356022.db2.gz HZHBPWYILKAVGU-DOTOQJQBSA-N -1 0 347.411 3.562 20 0 EHADRM CS[C@@H](C(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-])c1ccccc1 ZINC001599780800 992362031 /nfs/dbraw/zinc/36/20/31/992362031.db2.gz MPLMJZZKVIKMRB-RHSMWYFYSA-N -1 0 343.448 3.593 20 0 EHADRM CS[C@H](C)CC(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001599782677 992385991 /nfs/dbraw/zinc/38/59/91/992385991.db2.gz IFILVCNZEQUHFC-JMCQJSRRSA-N -1 0 337.224 3.804 20 0 EHADRM CS[C@H](C)CCC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001599782759 992386881 /nfs/dbraw/zinc/38/68/81/992386881.db2.gz JVYMZQXQZWLCBM-MRVPVSSYSA-N -1 0 346.246 3.618 20 0 EHADRM CN(CCOc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)[O-] ZINC001598499285 992408596 /nfs/dbraw/zinc/40/85/96/992408596.db2.gz ILMCRRKEUQAVIS-UHFFFAOYSA-N -1 0 348.786 3.581 20 0 EHADRM CC(C)COc1ccc(C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001591396806 992461941 /nfs/dbraw/zinc/46/19/41/992461941.db2.gz RYPVKIXMSWQYOZ-SFHVURJKSA-N -1 0 347.455 3.732 20 0 EHADRM CC(C)C[C@H](NC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1)C(=O)[O-] ZINC001591468717 992582722 /nfs/dbraw/zinc/58/27/22/992582722.db2.gz VIZMVRGJZFMQFR-INIZCTEOSA-N -1 0 330.428 3.695 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)c1cnc2cc(Cl)ccc2n1 ZINC001598513800 992595558 /nfs/dbraw/zinc/59/55/58/992595558.db2.gz YZJAIZVNUFUAAR-UHFFFAOYSA-N -1 0 327.771 3.618 20 0 EHADRM CC(C)Cc1ccc(C(=O)CCC(=O)N(CCC(=O)[O-])C(C)C)cc1 ZINC001591477443 992598415 /nfs/dbraw/zinc/59/84/15/992598415.db2.gz RQLWILUSCRUFAW-UHFFFAOYSA-N -1 0 347.455 3.560 20 0 EHADRM CC(C)Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)s1 ZINC001591477691 992599034 /nfs/dbraw/zinc/59/90/34/992599034.db2.gz WIUNQHNZUFIOTH-GFCCVEGCSA-N -1 0 337.466 3.954 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)NC2(CC(=O)[O-])CCCC2)cc1 ZINC001591488260 992615617 /nfs/dbraw/zinc/61/56/17/992615617.db2.gz DNCJBPJYLJMNGK-HNNXBMFYSA-N -1 0 331.456 3.892 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC001591489873 992622329 /nfs/dbraw/zinc/62/23/29/992622329.db2.gz ZYAXQDCLONWMQP-HDMKZQKVSA-N -1 0 331.456 3.558 20 0 EHADRM CN(Cc1ccc(Cl)c(F)c1)C(=O)c1ccsc1C(=O)[O-] ZINC001598517735 992638575 /nfs/dbraw/zinc/63/85/75/992638575.db2.gz GLTGLLBMUGOQDR-UHFFFAOYSA-N -1 0 327.764 3.511 20 0 EHADRM CN(Cc1nc(C(=O)[O-])cs1)Cc1ccc(Cl)c(Cl)c1 ZINC001598518330 992646627 /nfs/dbraw/zinc/64/66/27/992646627.db2.gz WCUQJIXTVRZIOR-UHFFFAOYSA-N -1 0 331.224 3.780 20 0 EHADRM CC(C)Cn1ncc(NCc2ccc(/C=C/C(=O)[O-])o2)c1C(C)C ZINC001591533895 992713786 /nfs/dbraw/zinc/71/37/86/992713786.db2.gz QBOXRYLVBRUGSI-BQYQJAHWSA-N -1 0 331.416 3.965 20 0 EHADRM CN(Cc1cccc2ccccc21)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001598527080 992733308 /nfs/dbraw/zinc/73/33/08/992733308.db2.gz QPMHZXCQCYWSOA-ZRDIBKRKSA-N -1 0 335.359 3.803 20 0 EHADRM CN(Cc1ccccc1C(F)(F)F)C(=O)c1ccsc1C(=O)[O-] ZINC001598529828 992765502 /nfs/dbraw/zinc/76/55/02/992765502.db2.gz ZLRNJVPDSUFKTD-UHFFFAOYSA-N -1 0 343.326 3.737 20 0 EHADRM CC(C)N(C)c1ccccc1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001591562039 992768037 /nfs/dbraw/zinc/76/80/37/992768037.db2.gz JGIJBTNAASFZIV-UHFFFAOYSA-N -1 0 330.359 3.621 20 0 EHADRM CN(Cc1ccccc1NC[C@H]1[C@@H](C(=O)[O-])C1(F)F)c1ccccc1 ZINC001598530431 992773281 /nfs/dbraw/zinc/77/32/81/992773281.db2.gz GPAVKDZLTPKUIX-RDJZCZTQSA-N -1 0 346.377 3.701 20 0 EHADRM CN(Cc1ccccc1NCc1ccc(C(=O)[O-])n1C)c1ccccc1 ZINC001598530656 992775910 /nfs/dbraw/zinc/77/59/10/992775910.db2.gz PXRANPFEWVPEGE-UHFFFAOYSA-N -1 0 349.434 3.972 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)[C@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC001591575644 992787735 /nfs/dbraw/zinc/78/77/35/992787735.db2.gz LFGMMMYGLXJKHD-JSGCOSHPSA-N -1 0 341.810 3.684 20 0 EHADRM CN(Cc1ccco1)C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001598532047 992793481 /nfs/dbraw/zinc/79/34/81/992793481.db2.gz LETDIXLOWZBZOF-UHFFFAOYSA-N -1 0 334.397 3.582 20 0 EHADRM CN(Cc1cncc(Cl)c1Cl)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598533204 992813337 /nfs/dbraw/zinc/81/33/37/992813337.db2.gz OGSKIAWVWICMQR-CQSZACIVSA-N -1 0 325.195 3.646 20 0 EHADRM CC(C)N(Cc1cccc(F)c1)C(=O)c1ccccc1CCC(=O)[O-] ZINC001591600333 992829844 /nfs/dbraw/zinc/82/98/44/992829844.db2.gz KRIGKFNSAASGKV-UHFFFAOYSA-N -1 0 343.398 3.894 20 0 EHADRM COc1ccc(F)cc1[C@@H](C)Nc1nc(Cl)c(C(=O)[O-])s1 ZINC001599583477 993582495 /nfs/dbraw/zinc/58/24/95/993582495.db2.gz TUACFKGQRIANOY-ZCFIWIBFSA-N -1 0 330.768 3.816 20 0 EHADRM CC(C)[C@H](NC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001593083985 993685076 /nfs/dbraw/zinc/68/50/76/993685076.db2.gz PMXFHIXRBGIAFD-RISCZKNCSA-N -1 0 347.440 3.599 20 0 EHADRM C[C@H](NC(=O)NCc1ccc(C(=O)[O-])cc1F)[C@@H](C)c1ccccc1 ZINC001593104487 993755159 /nfs/dbraw/zinc/75/51/59/993755159.db2.gz SJOHBUVHLIMWLJ-OLZOCXBDSA-N -1 0 344.386 3.515 20 0 EHADRM COc1ccc(NC(=S)Nc2sc(C)c(C)c2C(=O)[O-])cc1 ZINC001599596509 993755450 /nfs/dbraw/zinc/75/54/50/993755450.db2.gz GAZPWEQZGNMYJI-UHFFFAOYSA-N -1 0 336.438 3.881 20 0 EHADRM COc1ccc(NC(=S)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC001599596721 993757874 /nfs/dbraw/zinc/75/78/74/993757874.db2.gz RQTXGPDBVSZKFH-UHFFFAOYSA-N -1 0 336.800 3.856 20 0 EHADRM COc1ccc(NCCC(C)(C)C(=O)[O-])cc1OCC(F)(F)F ZINC001599597090 993762163 /nfs/dbraw/zinc/76/21/63/993762163.db2.gz HAAKJUAOOWMMOI-UHFFFAOYSA-N -1 0 335.322 3.549 20 0 EHADRM C[C@H](NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)c1ccsc1 ZINC001593115776 993802814 /nfs/dbraw/zinc/80/28/14/993802814.db2.gz RFMZCAJAVIFXEX-NZVBXONLSA-N -1 0 330.409 3.819 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc2cc(C(=O)[O-])sc21)c1ccns1 ZINC001593118153 993824311 /nfs/dbraw/zinc/82/43/11/993824311.db2.gz DYARKQRBMMWCRU-MRVPVSSYSA-N -1 0 347.421 3.939 20 0 EHADRM C[C@H](NC(=O)OC(C)(C)C)c1ccc(OCC2(C(=O)[O-])CC2)cc1 ZINC001593134586 993898865 /nfs/dbraw/zinc/89/88/65/993898865.db2.gz KCVGKPZOVJTBDE-LBPRGKRZSA-N -1 0 335.400 3.516 20 0 EHADRM C[C@@H](NC(=O)[C@]1(C)CC[C@H](C)C1(C)C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593140886 993924832 /nfs/dbraw/zinc/92/48/32/993924832.db2.gz RWPZMWVUACVDPI-KJOVKWNASA-N -1 0 345.483 3.897 20 0 EHADRM C[C@H](NC(=O)c1ccc(-c2cccs2)o1)c1ncc(C(=O)[O-])s1 ZINC001593156002 993972170 /nfs/dbraw/zinc/97/21/70/993972170.db2.gz HMMKYXFFWRAYBG-QMMMGPOBSA-N -1 0 348.405 3.654 20 0 EHADRM C[C@H](NC(=O)c1ccoc1CC(=O)[O-])c1cccc(Cl)c1Cl ZINC001593184076 994086006 /nfs/dbraw/zinc/08/60/06/994086006.db2.gz WXTHGWQKWXKMDI-QMMMGPOBSA-N -1 0 342.178 3.705 20 0 EHADRM C[C@@H](NC(=O)c1ccoc1CC(=O)[O-])c1cccc(Cl)c1Cl ZINC001593184075 994086429 /nfs/dbraw/zinc/08/64/29/994086429.db2.gz WXTHGWQKWXKMDI-MRVPVSSYSA-N -1 0 342.178 3.705 20 0 EHADRM COc1ccc2[nH]c(C(=O)Nc3ccc(C(=O)[O-])c(Cl)c3)cc2c1 ZINC001599623291 994114002 /nfs/dbraw/zinc/11/40/02/994114002.db2.gz YQKJYULDOBXRSG-UHFFFAOYSA-N -1 0 344.754 3.780 20 0 EHADRM C[C@H](N[C@@H](C(=O)[O-])c1cc(F)ccc1F)c1nccc2ccccc21 ZINC001593190828 994127943 /nfs/dbraw/zinc/12/79/43/994127943.db2.gz WVENOTBJPFPXAH-BBATYDOGSA-N -1 0 342.345 3.990 20 0 EHADRM C[C@@H](NC(=S)Nc1ccc([C@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC001593190965 994129983 /nfs/dbraw/zinc/12/99/83/994129983.db2.gz ZRFKNWRAQNLPOE-QWHCGFSZSA-N -1 0 328.437 3.922 20 0 EHADRM COc1ccc2c(CC(=O)Nc3cc(C)c(C(=O)[O-])s3)coc2c1 ZINC001599624591 994130055 /nfs/dbraw/zinc/13/00/55/994130055.db2.gz XZVIZBJEBPIQEG-UHFFFAOYSA-N -1 0 345.376 3.691 20 0 EHADRM O=C([O-])CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C1CC1 ZINC000238043077 1015840762 /nfs/dbraw/zinc/84/07/62/1015840762.db2.gz GBDWGSLHFZNACD-CHWSQXEVSA-N -1 0 342.222 3.563 20 0 EHADRM C[C@@H](N[C@H](C)c1ccc(C(F)(F)F)cn1)c1ncc(C(=O)[O-])s1 ZINC001593204239 994199133 /nfs/dbraw/zinc/19/91/33/994199133.db2.gz OPHMSJNOLARGJB-HTQZYQBOSA-N -1 0 345.346 3.667 20 0 EHADRM COc1ccc2c(c1)[C@H](NC(=O)c1ccc(C)c(C(=O)[O-])c1)CCC2 ZINC001599631389 994223764 /nfs/dbraw/zinc/22/37/64/994223764.db2.gz ICYWEYGMBVAOIU-GOSISDBHSA-N -1 0 339.391 3.509 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1cc(C)c(C)cc1Cl ZINC001599643633 994393596 /nfs/dbraw/zinc/39/35/96/994393596.db2.gz MIJCMHATCTZQHI-UHFFFAOYSA-N -1 0 334.755 3.883 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)Cc1ccc2ccccc2c1 ZINC001599646165 994428112 /nfs/dbraw/zinc/42/81/12/994428112.db2.gz RAQXYIVUOFBOLJ-UHFFFAOYSA-N -1 0 349.386 3.752 20 0 EHADRM C[C@@H](NC[C@H](OC1CCCC1)C(F)(F)F)c1cc(C(=O)[O-])co1 ZINC001593246317 994449291 /nfs/dbraw/zinc/44/92/91/994449291.db2.gz JXQISJYEJOIXSK-RNCFNFMXSA-N -1 0 335.322 3.519 20 0 EHADRM COc1cccc(/C(C)=C\C(=O)Nc2scc(C(=O)[O-])c2C)c1 ZINC001599654116 994551381 /nfs/dbraw/zinc/55/13/81/994551381.db2.gz HABOGBPRDGYEGR-YFHOEESVSA-N -1 0 331.393 3.805 20 0 EHADRM COc1cccc([C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])cc2C)c1 ZINC001599656203 994585021 /nfs/dbraw/zinc/58/50/21/994585021.db2.gz BEFWMLKYHXDVEY-GFCCVEGCSA-N -1 0 328.368 3.585 20 0 EHADRM C[C@@H](NCc1cc(C(=O)[O-])ccc1F)c1ccccc1OC(F)F ZINC001593287770 994650235 /nfs/dbraw/zinc/65/02/35/994650235.db2.gz AAQBSBSABMYDDL-SNVBAGLBSA-N -1 0 339.313 3.976 20 0 EHADRM C[C@H](NCc1cc(C(=O)[O-])ccc1F)c1nc(C(F)(F)F)cs1 ZINC001593288437 994656123 /nfs/dbraw/zinc/65/61/23/994656123.db2.gz JPGVQABOCMSGSD-ZETCQYMHSA-N -1 0 348.321 3.850 20 0 EHADRM C[C@H](NCc1cccc(-c2nc(C(=O)[O-])cs2)c1)c1cscn1 ZINC001593304527 994747620 /nfs/dbraw/zinc/74/76/20/994747620.db2.gz NJWZPNDPGUTFJS-JTQLQIEISA-N -1 0 345.449 3.816 20 0 EHADRM CNc1cc(Cl)ccc1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001598677757 994875042 /nfs/dbraw/zinc/87/50/42/994875042.db2.gz BWYUIGPSFBLAPN-UHFFFAOYSA-N -1 0 346.814 3.996 20 0 EHADRM CNc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(C)c2)c(Cl)c1 ZINC001598677955 994877324 /nfs/dbraw/zinc/87/73/24/994877324.db2.gz DQRSELOPKFIQCJ-INIZCTEOSA-N -1 0 346.814 3.636 20 0 EHADRM COc1cccc(NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])c1F ZINC001599676713 994908895 /nfs/dbraw/zinc/90/88/95/994908895.db2.gz NQVUORYYTIGTEC-SNVBAGLBSA-N -1 0 349.383 3.652 20 0 EHADRM C[C@@H](Nc1ccc(N2CCOC[C@@H]2C)cc1)c1cc(C(=O)[O-])cs1 ZINC001593363482 995036307 /nfs/dbraw/zinc/03/63/07/995036307.db2.gz QXFPZCACMMZCBD-QWHCGFSZSA-N -1 0 346.452 3.845 20 0 EHADRM C[C@@H](OC(=O)C(C)(C)COCc1ccccc1)c1cc(C(=O)[O-])co1 ZINC001593483934 995438537 /nfs/dbraw/zinc/43/85/37/995438537.db2.gz BTMSAQIXQRWNND-CYBMUJFWSA-N -1 0 346.379 3.825 20 0 EHADRM C[C@H](OC(=O)C[C@@]12CCCC[C@@H]1C2(F)F)c1cc(C(=O)[O-])co1 ZINC001593517124 995552164 /nfs/dbraw/zinc/55/21/64/995552164.db2.gz UYFPXCQFOSYTJZ-FMSQNYNMSA-N -1 0 328.311 3.798 20 0 EHADRM C[C@H](OC(=O)COc1ccc(C(C)(C)C)cc1)c1cc(C(=O)[O-])co1 ZINC001593534104 995584005 /nfs/dbraw/zinc/58/40/05/995584005.db2.gz OXMNQPWEXREKAZ-LBPRGKRZSA-N -1 0 346.379 3.959 20 0 EHADRM C[C@@H](OC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(C(=O)[O-])o1 ZINC001593534303 995586895 /nfs/dbraw/zinc/58/68/95/995586895.db2.gz VAZPOEOXTNBBJK-GFCCVEGCSA-N -1 0 346.379 3.959 20 0 EHADRM C[C@@H](OC(=O)Cc1cccc(C(F)(F)F)c1)c1cc(C(=O)[O-])co1 ZINC001593536957 995600015 /nfs/dbraw/zinc/60/00/15/995600015.db2.gz DFPRYNDUNXBOLH-SECBINFHSA-N -1 0 342.269 3.844 20 0 EHADRM C[C@@H](OC(=O)c1cc(C(=O)[O-])co1)[C@@H](C)c1nc2ccccc2s1 ZINC001593556804 995646847 /nfs/dbraw/zinc/64/68/47/995646847.db2.gz YBGRFDVMVQZMRC-NXEZZACHSA-N -1 0 345.376 3.937 20 0 EHADRM C[C@@H](OC(=O)c1cccn1Cc1ccccc1)c1ccc(C(=O)[O-])o1 ZINC001593591774 995717056 /nfs/dbraw/zinc/71/70/56/995717056.db2.gz LNLRMATZMVTPJA-CYBMUJFWSA-N -1 0 339.347 3.746 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC001593602329 995762830 /nfs/dbraw/zinc/76/28/30/995762830.db2.gz CJGSKTSWWJWWBS-RHSMWYFYSA-N -1 0 339.476 3.512 20 0 EHADRM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)OCc1ccc(C(=O)[O-])o1 ZINC001593611714 995809634 /nfs/dbraw/zinc/80/96/34/995809634.db2.gz DUKGZFLFRPRPTN-LBPRGKRZSA-N -1 0 346.379 3.786 20 0 EHADRM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)OCc1occc1C(=O)[O-] ZINC001593612552 995816177 /nfs/dbraw/zinc/81/61/77/995816177.db2.gz VHDWFCCBDPUIRT-GFCCVEGCSA-N -1 0 346.379 3.786 20 0 EHADRM C[C@@H](Oc1ccc(CN2CC[C@H]2c2ccc(F)cc2)cc1)C(=O)[O-] ZINC001593615414 995833042 /nfs/dbraw/zinc/83/30/42/995833042.db2.gz JNANUOAMGDHUSC-ACJLOTCBSA-N -1 0 329.371 3.625 20 0 EHADRM C[C@H](Oc1ccc(CN2CCc3cccc(F)c3[C@H]2C)cc1)C(=O)[O-] ZINC001593615650 995836696 /nfs/dbraw/zinc/83/66/96/995836696.db2.gz NTSIIBSXHNESBD-KGLIPLIRSA-N -1 0 343.398 3.797 20 0 EHADRM C[C@@H](Oc1ccc(NC(=O)NC2CCCCCC2)cc1F)C(=O)[O-] ZINC001593628749 995904811 /nfs/dbraw/zinc/90/48/11/995904811.db2.gz HHEDCAXJXISDFD-LLVKDONJSA-N -1 0 338.379 3.522 20 0 EHADRM C[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001593640771 995947670 /nfs/dbraw/zinc/94/76/70/995947670.db2.gz PWGMFPJUMOYDLX-AWEZNQCLSA-N -1 0 349.386 3.873 20 0 EHADRM C[C@@H](Oc1ccccc1F)c1nnc(C23CCC(C(=O)[O-])(CC2)C3)o1 ZINC001593651102 996010093 /nfs/dbraw/zinc/01/00/93/996010093.db2.gz HQTBKRFZJZCPRN-IPPDQLOFSA-N -1 0 346.358 3.635 20 0 EHADRM C[C@H](SCC(=O)NC1(C(=O)[O-])CCCCC1)c1ccc(F)cc1 ZINC001593659580 996035927 /nfs/dbraw/zinc/03/59/27/996035927.db2.gz VCMNSRANKWOZCX-LBPRGKRZSA-N -1 0 339.432 3.524 20 0 EHADRM C[C@@H](SCc1ccccc1C(=O)[O-])C(=O)c1c[nH]c2ncccc12 ZINC001593663435 996044626 /nfs/dbraw/zinc/04/46/26/996044626.db2.gz NKHYCLCHXMZTCP-LLVKDONJSA-N -1 0 340.404 3.766 20 0 EHADRM COC(=O)[C@H]1CCCC[C@H]1CSc1nc2ccc(C(=O)[O-])cc2o1 ZINC001598788225 996049048 /nfs/dbraw/zinc/04/90/48/996049048.db2.gz ODXDPONFFGDWNK-RYUDHWBXSA-N -1 0 349.408 3.598 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N1CC[C@@H]1C1CCCC1)C(=O)[O-] ZINC001593667146 996056034 /nfs/dbraw/zinc/05/60/34/996056034.db2.gz BGUCLZVVKBHEHU-IUODEOHRSA-N -1 0 333.453 3.657 20 0 EHADRM C[C@@H](Sc1ccc(F)cc1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001593667755 996059694 /nfs/dbraw/zinc/05/96/94/996059694.db2.gz SVTBORTUQVZWJN-GFCCVEGCSA-N -1 0 347.411 3.962 20 0 EHADRM C[C@H](Sc1ncccc1C(=O)[O-])c1nnc(-c2ccccc2)o1 ZINC001593678451 996092168 /nfs/dbraw/zinc/09/21/68/996092168.db2.gz OGDMFGFXKITGEC-JTQLQIEISA-N -1 0 327.365 3.683 20 0 EHADRM C[C@H](Sc1n[nH]c(Cc2cccs2)n1)c1ccc(C(=O)[O-])o1 ZINC001593679326 996099605 /nfs/dbraw/zinc/09/96/05/996099605.db2.gz IIQACUHJFLAUQT-QMMMGPOBSA-N -1 0 335.410 3.602 20 0 EHADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001593697971 996159964 /nfs/dbraw/zinc/15/99/64/996159964.db2.gz CGQMTRZHDSRLEJ-JMEBYUIHSA-N -1 0 333.771 3.864 20 0 EHADRM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)Cc1cc(C(=O)[O-])no1 ZINC001593698060 996160683 /nfs/dbraw/zinc/16/06/83/996160683.db2.gz DLQKDIDXPIZGON-VIFPVBQESA-N -1 0 328.290 3.585 20 0 EHADRM C[C@H](c1ccccc1)N(C(=O)c1cc(C(=O)[O-])on1)C1CCCC1 ZINC001593706276 996196393 /nfs/dbraw/zinc/19/63/93/996196393.db2.gz OWANQZOKYKGAFX-GFCCVEGCSA-N -1 0 328.368 3.519 20 0 EHADRM C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001593707768 996203326 /nfs/dbraw/zinc/20/33/26/996203326.db2.gz ZTGUIJZTHLBBAB-CXAGYDPISA-N -1 0 339.395 3.580 20 0 EHADRM C[C@H](c1ccccc1)N(C)C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001593710319 996208967 /nfs/dbraw/zinc/20/89/67/996208967.db2.gz LELISJUXIOGZRR-CYBMUJFWSA-N -1 0 336.391 3.628 20 0 EHADRM C[C@@H](c1nc(C(=O)[O-])co1)N1CCC(=Cc2ccccc2F)CC1 ZINC001593725026 996272868 /nfs/dbraw/zinc/27/28/68/996272868.db2.gz LNOGGPFXEFIPCT-LBPRGKRZSA-N -1 0 330.359 3.752 20 0 EHADRM C[C@H](c1nc(C(=O)[O-])co1)N1CCC(c2ccc(Cl)cc2)CC1 ZINC001593725118 996273564 /nfs/dbraw/zinc/27/35/64/996273564.db2.gz MYVVYIYLNMSXAX-LLVKDONJSA-N -1 0 334.803 3.967 20 0 EHADRM C[C@H](c1nc(C(=O)[O-])co1)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC001593725178 996274572 /nfs/dbraw/zinc/27/45/72/996274572.db2.gz NLLNETLKTOMEOW-SNVBAGLBSA-N -1 0 336.338 3.592 20 0 EHADRM C[C@H](c1ncc(C(=O)[O-])s1)N1CCN(C2CC2)c2cc(F)ccc21 ZINC001593736476 996325865 /nfs/dbraw/zinc/32/58/65/996325865.db2.gz AJNZMJQZRXPVOV-SNVBAGLBSA-N -1 0 347.415 3.530 20 0 EHADRM C[C@@]1(C(=O)N2CCc3cccc(C(=O)[O-])c3C2)CCCc2ccccc21 ZINC001593748220 996378245 /nfs/dbraw/zinc/37/82/45/996378245.db2.gz JMBUQBQNHDEZTR-JOCHJYFZSA-N -1 0 349.430 3.564 20 0 EHADRM CC1(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CCC(F)(F)CC1 ZINC001593759835 996416954 /nfs/dbraw/zinc/41/69/54/996416954.db2.gz LVCDBKXYQCPJLO-UHFFFAOYSA-N -1 0 333.281 3.817 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2csnc2-c2ccccc2)C1 ZINC001593771481 996465353 /nfs/dbraw/zinc/46/53/53/996465353.db2.gz SJRFNDNHJXQXEH-QGZVFWFLSA-N -1 0 345.424 3.529 20 0 EHADRM CC1(C)C[C@H](C(=O)N(CC(=O)[O-])C2CCCCC2)c2ccccc2O1 ZINC001593847114 996612876 /nfs/dbraw/zinc/61/28/76/996612876.db2.gz FOZMXUKPFFCNEE-INIZCTEOSA-N -1 0 345.439 3.577 20 0 EHADRM CC1(C)C[C@H](C(=O)O[C@H]2CCCc3cc(C(=O)[O-])ccc32)CCO1 ZINC001593848075 996617936 /nfs/dbraw/zinc/61/79/36/996617936.db2.gz HJFMUGKZBSFZSE-ZBFHGGJFSA-N -1 0 332.396 3.511 20 0 EHADRM CC1(C)C[C@@H](NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)c2ccccc21 ZINC001593857652 996645942 /nfs/dbraw/zinc/64/59/42/996645942.db2.gz XZZZMRWGPHGIQB-OAHLLOKOSA-N -1 0 327.424 3.560 20 0 EHADRM CC1(C)C[C@@H](OC(=O)Cc2ccccc2C(=O)[O-])c2ccccc2O1 ZINC001593862348 996661205 /nfs/dbraw/zinc/66/12/05/996661205.db2.gz ZXMFVTIHBFHZHT-QGZVFWFLSA-N -1 0 340.375 3.773 20 0 EHADRM CC1(C)CC[C@@H](C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)[C@H](c2ccccc2)C1 ZINC001593874297 996689082 /nfs/dbraw/zinc/68/90/82/996689082.db2.gz JEOPJNKEHDMOEZ-VQHPVUNQSA-N -1 0 329.440 3.576 20 0 EHADRM CC1(C)CCC[C@@H](CNC(=O)N2CCc3cccc(C(=O)[O-])c3C2)C1 ZINC001593886033 996723027 /nfs/dbraw/zinc/72/30/27/996723027.db2.gz OOSGRCIIXOKVDK-CQSZACIVSA-N -1 0 344.455 3.669 20 0 EHADRM CC1(C)CCC[C@](NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)(C(=O)[O-])C1 ZINC001593890978 996734758 /nfs/dbraw/zinc/73/47/58/996734758.db2.gz HOSBYYQXZKWGJO-HWWQOWPSSA-N -1 0 349.393 3.895 20 0 EHADRM CC1(C)CCC[C@@](NC(=O)c2cccc(Cl)c2F)(C(=O)[O-])C1 ZINC001593892001 996738890 /nfs/dbraw/zinc/73/88/90/996738890.db2.gz IGBJXLCMVCCYPT-INIZCTEOSA-N -1 0 327.783 3.633 20 0 EHADRM C[C@H](c1ccccc1Br)N(C)C(=O)CCCCC(=O)[O-] ZINC000655544562 1016060196 /nfs/dbraw/zinc/06/01/96/1016060196.db2.gz QITCVFTXDAGXJV-LLVKDONJSA-N -1 0 342.233 3.614 20 0 EHADRM CC1(C)CCC[C@@H]1CCNC(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001593902926 996768771 /nfs/dbraw/zinc/76/87/71/996768771.db2.gz BMIWRVZSPBPORL-OAHLLOKOSA-N -1 0 338.492 3.927 20 0 EHADRM CC1(C)CCCC[C@@H]1CC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC001593904318 996780973 /nfs/dbraw/zinc/78/09/73/996780973.db2.gz BDWZFRYOHZWQEK-CRAIPNDOSA-N -1 0 329.440 3.804 20 0 EHADRM CC1(C)CCCN(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)CC1 ZINC001593904104 996781021 /nfs/dbraw/zinc/78/10/21/996781021.db2.gz ZWRNATRNGOEQRP-UHFFFAOYSA-N -1 0 329.400 3.910 20 0 EHADRM CC1(C)CCCC[C@@H]1CC(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001593904578 996782903 /nfs/dbraw/zinc/78/29/03/996782903.db2.gz HFXGIYBUNKNCPK-ZBFHGGJFSA-N -1 0 335.419 3.717 20 0 EHADRM COc1ccc(C(=O)NCC2(CC(=O)[O-])CCCC2)c2ccccc12 ZINC001599482101 996788098 /nfs/dbraw/zinc/78/80/98/996788098.db2.gz BBXZAZXFMGPNLP-UHFFFAOYSA-N -1 0 341.407 3.613 20 0 EHADRM CC1(C)CCc2cccc(NC(=O)c3cc(F)cc(C(=O)[O-])c3)c2O1 ZINC001593916375 996817458 /nfs/dbraw/zinc/81/74/58/996817458.db2.gz PBRQNFALZWGZIB-UHFFFAOYSA-N -1 0 343.354 3.880 20 0 EHADRM CC1(C)CCc2ccccc2[C@@H](NC(=O)N[C@H]2CC=C(C(=O)[O-])C2)C1 ZINC001593916457 996818923 /nfs/dbraw/zinc/81/89/23/996818923.db2.gz SGCXZSCNFQLGDA-RDJZCZTQSA-N -1 0 342.439 3.563 20 0 EHADRM COc1ccc(C(=O)Nc2c(C)c(C(=O)[O-])ccc2Cl)c(OC)c1 ZINC001599485686 996843948 /nfs/dbraw/zinc/84/39/48/996843948.db2.gz GDYKYQWTIDFEPO-UHFFFAOYSA-N -1 0 349.770 3.616 20 0 EHADRM COC[C@H](NCc1cccc(C(=O)[O-])c1Cl)c1ccc(F)cc1 ZINC001599176287 996849685 /nfs/dbraw/zinc/84/96/85/996849685.db2.gz GRRQMTNDAKKMBG-HNNXBMFYSA-N -1 0 337.778 3.655 20 0 EHADRM COC[C@@H](NCc1ccc(-c2ccccc2C(=O)[O-])o1)c1ccco1 ZINC001599176602 996859056 /nfs/dbraw/zinc/85/90/56/996859056.db2.gz FNCNIZMLWPZYEG-MRXNPFEDSA-N -1 0 341.363 3.715 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)C[C@@H](C)c2ccc(F)cc2)c1F ZINC001599487435 996876079 /nfs/dbraw/zinc/87/60/79/996876079.db2.gz LDVCBOOQJLGRGA-SNVBAGLBSA-N -1 0 349.333 3.804 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)Cc2ccc(C)c(Cl)c2)c1 ZINC001599489119 996906677 /nfs/dbraw/zinc/90/66/77/996906677.db2.gz GFSUWFAMSVVEEL-UHFFFAOYSA-N -1 0 333.771 3.536 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)N2CC[C@@H]2c2cccc(F)c2)c1 ZINC001599490402 996928303 /nfs/dbraw/zinc/92/83/03/996928303.db2.gz UOGVALNHIWNFDX-MRXNPFEDSA-N -1 0 344.342 3.511 20 0 EHADRM COCc1cc(NC(=O)[C@]2(C)CCC(C)=C(C)C2)cc(C(=O)[O-])c1 ZINC001599284091 996944095 /nfs/dbraw/zinc/94/40/95/996944095.db2.gz OLHHPPNDNRKMBE-LJQANCHMSA-N -1 0 331.412 3.996 20 0 EHADRM COc1cc(C(=O)O[C@H](C(=O)[O-])c2ccccc2Cl)ccc1C ZINC001599386512 996956370 /nfs/dbraw/zinc/95/63/70/996956370.db2.gz VIFUIHZVXIPFSJ-HNNXBMFYSA-N -1 0 334.755 3.640 20 0 EHADRM COc1cc(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)cc(OC)c1C ZINC001599386944 996963243 /nfs/dbraw/zinc/96/32/43/996963243.db2.gz MPRSHPBWVVJMHD-LBPRGKRZSA-N -1 0 344.363 3.628 20 0 EHADRM COCc1cc(NC(=O)N[C@@]2(C)CCCC[C@@H]2C)cc(C(=O)[O-])c1 ZINC001599286231 996983853 /nfs/dbraw/zinc/98/38/53/996983853.db2.gz OBTZZJJOMJJIDB-SGTLLEGYSA-N -1 0 334.416 3.622 20 0 EHADRM COCc1cc(NC(=O)N2CCCC[C@@H]2C(C)C)cc(C(=O)[O-])c1 ZINC001599286242 996983865 /nfs/dbraw/zinc/98/38/65/996983865.db2.gz WSEZVJRPCDRZQT-MRXNPFEDSA-N -1 0 334.416 3.574 20 0 EHADRM COc1ccc(C(=O)[O-])c2c1CN([C@@H](C)c1ccc(F)c(F)c1)CC2 ZINC001599497631 997046698 /nfs/dbraw/zinc/04/66/98/997046698.db2.gz DGXZZDQSCPCXGD-NSHDSACASA-N -1 0 347.361 3.791 20 0 EHADRM CC1(C)COc2ccc(C(=O)Nc3cc(F)cc(C(=O)[O-])c3F)cc21 ZINC001593960539 997076373 /nfs/dbraw/zinc/07/63/73/997076373.db2.gz CCAKDZQLMSBVGX-UHFFFAOYSA-N -1 0 347.317 3.585 20 0 EHADRM COc1cc(C)c(NC(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])c(C)c1C ZINC001599394390 997097991 /nfs/dbraw/zinc/09/79/91/997097991.db2.gz ZXZZJDSSNOUEMM-CABCVRRESA-N -1 0 348.443 3.775 20 0 EHADRM COc1cc(C)cc(NCc2ccc(O[C@@H](C)C(=O)[O-])cc2)c1C ZINC001599394867 997106447 /nfs/dbraw/zinc/10/64/47/997106447.db2.gz YQNKJRNCSMZUOQ-AWEZNQCLSA-N -1 0 329.396 3.776 20 0 EHADRM COC1(CC(=O)O[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CCC1 ZINC001599087662 997128684 /nfs/dbraw/zinc/12/86/84/997128684.db2.gz STKFJPWLXNXOBX-CYBMUJFWSA-N -1 0 347.194 3.622 20 0 EHADRM COC1(CC(=O)O[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CCC1 ZINC001599087683 997128762 /nfs/dbraw/zinc/12/87/62/997128762.db2.gz VGSRYCDOALCCDA-ZDUSSCGKSA-N -1 0 347.194 3.622 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1cc(C)c(C)s1 ZINC001599397108 997146537 /nfs/dbraw/zinc/14/65/37/997146537.db2.gz RXFIKIDPWCGZPQ-ALCCZGGFSA-N -1 0 332.377 3.691 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1ccn(C(C)C)c1C ZINC001599397548 997154496 /nfs/dbraw/zinc/15/44/96/997154496.db2.gz FQUVYVQHPMGJGA-SOFGYWHQSA-N -1 0 343.379 3.703 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC[C@H]1CCCC2(CCC2)O1 ZINC001599398538 997173598 /nfs/dbraw/zinc/17/35/98/997173598.db2.gz GQZCWRBFADEBKO-PMGBHYCQSA-N -1 0 332.396 3.664 20 0 EHADRM COc1ccc(/C(C)=C/C(=O)Nc2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001599505258 997201518 /nfs/dbraw/zinc/20/15/18/997201518.db2.gz IYVOHBVFQOYGHY-JLHYYAGUSA-N -1 0 325.364 3.744 20 0 EHADRM COc1ccc([C@@H](C)N(C)C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC001599507403 997235164 /nfs/dbraw/zinc/23/51/64/997235164.db2.gz MNADUKKRJQUXPY-CYBMUJFWSA-N -1 0 342.395 3.547 20 0 EHADRM COCC1(CNC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)CCCCC1 ZINC001599199334 997275722 /nfs/dbraw/zinc/27/57/22/997275722.db2.gz DYSPUTOQNOZAAB-UHFFFAOYSA-N -1 0 348.443 3.720 20 0 EHADRM COc1cc(CN2CCc3cc(C(=O)[O-])ccc3C2)ccc1Cl ZINC001599408200 997371050 /nfs/dbraw/zinc/37/10/50/997371050.db2.gz NQYXSABKGYGEEI-UHFFFAOYSA-N -1 0 331.799 3.605 20 0 EHADRM CON(C(=O)CCCCc1ccc(C(C)(C)C)cc1)[C@@H](C)CC(=O)[O-] ZINC001599308589 997371535 /nfs/dbraw/zinc/37/15/35/997371535.db2.gz BUIXTKLWTCZZSA-HNNXBMFYSA-N -1 0 349.471 3.950 20 0 EHADRM COC(=O)c1c(N)sc(C(=O)[O-])c1CSCC1CCCCC1 ZINC001598914288 997429132 /nfs/dbraw/zinc/42/91/32/997429132.db2.gz QWNCRHHOIRMVGV-UHFFFAOYSA-N -1 0 343.470 3.629 20 0 EHADRM C[C@@]1(CCNC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C[C@]1(F)Cl ZINC001594008594 997436631 /nfs/dbraw/zinc/43/66/31/997436631.db2.gz YVFAAOGZMQNMNK-ZIAGYGMSSA-N -1 0 349.189 3.864 20 0 EHADRM C[C@]1(CCNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)CC1(Cl)Cl ZINC001594008624 997438180 /nfs/dbraw/zinc/43/81/80/997438180.db2.gz ZYHHBOCSRYJCNF-ZDUSSCGKSA-N -1 0 349.189 3.619 20 0 EHADRM CC1(CNC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CCCCCC1 ZINC001594020188 997525696 /nfs/dbraw/zinc/52/56/96/997525696.db2.gz JUZBFNPKYUPKTO-UHFFFAOYSA-N -1 0 336.407 3.935 20 0 EHADRM CON(CCOc1ccc(/C=C\C(=O)[O-])cc1)C[C@@H]1CCC[C@@H](C)C1 ZINC001599318253 997536287 /nfs/dbraw/zinc/53/62/87/997536287.db2.gz GBAPERHLZWYCCN-FFHQTSAVSA-N -1 0 347.455 3.853 20 0 EHADRM CO[C@@H]1CCC[C@H](CC(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])C1 ZINC001599111190 997571109 /nfs/dbraw/zinc/57/11/09/997571109.db2.gz BNPRXUHBWNVNBH-NWDGAFQWSA-N -1 0 339.819 3.880 20 0 EHADRM COCCC1(C(=O)Nc2nc(C(C)C)c(C(=O)[O-])s2)CCCC1 ZINC001599218688 997627369 /nfs/dbraw/zinc/62/73/69/997627369.db2.gz OWPSHEYJJMUQIA-UHFFFAOYSA-N -1 0 340.445 3.500 20 0 EHADRM CO[C@@H]1CCCC[C@@H]1C(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001599116417 997661941 /nfs/dbraw/zinc/66/19/41/997661941.db2.gz WDWYHDCOZXUBDF-BBWFWOEESA-N -1 0 332.396 3.511 20 0 EHADRM C[C@@]1(Cc2ccc(F)c(Cl)c2)CCCN1c1cncc(C(=O)[O-])n1 ZINC001594041554 997663490 /nfs/dbraw/zinc/66/34/90/997663490.db2.gz NHOCGVYZBXWTAH-KRWDZBQOSA-N -1 0 349.793 3.569 20 0 EHADRM COc1ccc([C@H](NCc2cc(C)c(C(=O)[O-])o2)C(F)(F)F)cc1 ZINC001599531653 997664898 /nfs/dbraw/zinc/66/48/98/997664898.db2.gz KRAYGIFJDFIXFM-AWEZNQCLSA-N -1 0 343.301 3.688 20 0 EHADRM COc1ccc([C@@H](NCc2cc(C)c(C(=O)[O-])o2)C(F)(F)F)cc1 ZINC001599531655 997664923 /nfs/dbraw/zinc/66/49/23/997664923.db2.gz KRAYGIFJDFIXFM-CQSZACIVSA-N -1 0 343.301 3.688 20 0 EHADRM COc1ccc(C)c2c1N(C(=O)c1ccc(C)c(C(=O)[O-])c1)CCC2 ZINC001599533749 997705575 /nfs/dbraw/zinc/70/55/75/997705575.db2.gz ICAWRPXIWZLPJN-UHFFFAOYSA-N -1 0 339.391 3.603 20 0 EHADRM COc1c(C)ccc(NC(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])c1C ZINC001599332446 997771361 /nfs/dbraw/zinc/77/13/61/997771361.db2.gz AOUYDKDMDKPSOP-OAHLLOKOSA-N -1 0 348.443 3.715 20 0 EHADRM C[C@@]1(NC(=O)c2nc(-c3ccccc3)cs2)CCCC[C@H]1C(=O)[O-] ZINC001594056025 997793425 /nfs/dbraw/zinc/79/34/25/997793425.db2.gz MIROTRSLYWKCQH-SCLBCKFNSA-N -1 0 344.436 3.573 20 0 EHADRM COc1c(CNC(=O)Nc2ccc(C(=O)[O-])s2)oc2ccccc21 ZINC001599333739 997795083 /nfs/dbraw/zinc/79/50/83/997795083.db2.gz OYVZFSIZBAFTKQ-UHFFFAOYSA-N -1 0 346.364 3.523 20 0 EHADRM COc1c(Cl)cccc1CNc1nc(Cl)c(C(=O)[O-])s1 ZINC001599333920 997797351 /nfs/dbraw/zinc/79/73/51/997797351.db2.gz CYWQRNPRZSUWOW-UHFFFAOYSA-N -1 0 333.196 3.769 20 0 EHADRM COc1cc(NC(=O)N2CCC[C@]2(C)CC(C)C)ccc1C(=O)[O-] ZINC001599433996 997808894 /nfs/dbraw/zinc/80/88/94/997808894.db2.gz ADGGBPBLHSMOMJ-GOSISDBHSA-N -1 0 334.416 3.826 20 0 EHADRM COc1ccc([C@H]2CCCN2[C@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC001599539649 997812995 /nfs/dbraw/zinc/81/29/95/997812995.db2.gz NTCRKJLIOCXVHF-BXUZGUMPSA-N -1 0 332.425 3.748 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccnn2[C@@H](C)CC(C)C)s1 ZINC000340040669 1016158247 /nfs/dbraw/zinc/15/82/47/1016158247.db2.gz FEZAXRHOAZMVRU-NSHDSACASA-N -1 0 327.475 3.661 20 0 EHADRM COC(=O)c1cc(COc2cccc(Cl)c2F)cc(C(=O)[O-])c1 ZINC001598934660 997840590 /nfs/dbraw/zinc/84/05/90/997840590.db2.gz IUEPLZOGEHYFJO-UHFFFAOYSA-N -1 0 338.718 3.543 20 0 EHADRM COc1c(NC(=O)C/C=C\c2ccc(C)cc2)cccc1C(=O)[O-] ZINC001599336995 997854128 /nfs/dbraw/zinc/85/41/28/997854128.db2.gz CMCIADSHMDCKRN-HYXAFXHYSA-N -1 0 325.364 3.744 20 0 EHADRM COc1c(NC(=O)CCSc2ccccc2F)cccc1C(=O)[O-] ZINC001599337382 997860385 /nfs/dbraw/zinc/86/03/85/997860385.db2.gz MNVWFVKYRKJYRE-UHFFFAOYSA-N -1 0 349.383 3.653 20 0 EHADRM COc1cc(NC(=O)N[C@H](c2ccccc2)C(C)C)ccc1C(=O)[O-] ZINC001599436746 997860804 /nfs/dbraw/zinc/86/08/04/997860804.db2.gz HIDIFHFYKCZTFD-KRWDZBQOSA-N -1 0 342.395 3.912 20 0 EHADRM COc1ccc(/C=C(/C)C(=O)Nc2cccc(C(=O)[O-])c2C)cc1F ZINC001599542111 997861269 /nfs/dbraw/zinc/86/12/69/997861269.db2.gz TXIODSVHLUVDNA-LUAWRHEFSA-N -1 0 343.354 3.883 20 0 EHADRM COc1cc(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])cc2ccccc21 ZINC001599437271 997869556 /nfs/dbraw/zinc/86/95/56/997869556.db2.gz IIQUEELQZBHXIQ-AWEZNQCLSA-N -1 0 344.411 3.717 20 0 EHADRM COc1ccc(/C=C\c2nc(Cl)c(C(=O)[O-])s2)cc1OC ZINC001599543230 997879255 /nfs/dbraw/zinc/87/92/55/997879255.db2.gz CFEWYJNGTKRUFQ-XQRVVYSFSA-N -1 0 325.773 3.682 20 0 EHADRM COc1c(NC(=O)Cc2c(C)oc3ccccc32)cccc1C(=O)[O-] ZINC001599338889 997886752 /nfs/dbraw/zinc/88/67/52/997886752.db2.gz ZIGNDUMXYQJADL-UHFFFAOYSA-N -1 0 339.347 3.629 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)[C@H](C)c1ccsc1 ZINC001599545277 997912228 /nfs/dbraw/zinc/91/22/28/997912228.db2.gz XIEKFWKCFDRDAJ-DUMNWFOQSA-N -1 0 332.377 3.564 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OCC(=O)CCC1CCCC1 ZINC001599546240 997927905 /nfs/dbraw/zinc/92/79/05/997927905.db2.gz VDHBWSPWVLGNBU-FLIBITNWSA-N -1 0 332.396 3.711 20 0 EHADRM COc1c(NC(=O)c2cc3c(cc(C)cc3C)[nH]2)cccc1C(=O)[O-] ZINC001599341382 997928184 /nfs/dbraw/zinc/92/81/84/997928184.db2.gz AJSJDGGGGJLFMY-UHFFFAOYSA-N -1 0 338.363 3.744 20 0 EHADRM COc1cc(NC(=O)Nc2cccc3cc[nH]c32)ccc1C(=O)[O-] ZINC001599441007 997929401 /nfs/dbraw/zinc/92/94/01/997929401.db2.gz NEEKBIRWCGCYEW-UHFFFAOYSA-N -1 0 325.324 3.519 20 0 EHADRM C[C@]1(c2ccccc2)CN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CCO1 ZINC001594079145 997961544 /nfs/dbraw/zinc/96/15/44/997961544.db2.gz MYKRVYHKIGHLKS-IEBWSBKVSA-N -1 0 345.826 3.713 20 0 EHADRM COc1cc(N[C@@H](C)CC(C)(C)CC(=O)[O-])c2nccc(OC)c2c1 ZINC001599443113 997962447 /nfs/dbraw/zinc/96/24/47/997962447.db2.gz PPPWQWRILMETAX-LBPRGKRZSA-N -1 0 346.427 3.943 20 0 EHADRM COc1cc(N[C@H](Cc2ccc(F)cc2)C(=O)[O-])ccc1OC(C)C ZINC001599443136 997963161 /nfs/dbraw/zinc/96/31/61/997963161.db2.gz QTNGWRRCCCNHJW-MRXNPFEDSA-N -1 0 347.386 3.729 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN(C(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC001594079638 997971895 /nfs/dbraw/zinc/97/18/95/997971895.db2.gz LEPREUZDINROMC-OAQYLSRUSA-N -1 0 337.419 3.969 20 0 EHADRM COc1cc(NCc2cc(F)cc3cccnc32)ccc1C(=O)[O-] ZINC001599443811 997974006 /nfs/dbraw/zinc/97/40/06/997974006.db2.gz NIYANXYHABVHFR-UHFFFAOYSA-N -1 0 326.327 3.693 20 0 EHADRM COc1c(Sc2ccc(Cl)cc2Cl)ncnc1C(=O)[O-] ZINC001599344416 997976793 /nfs/dbraw/zinc/97/67/93/997976793.db2.gz IJLIARRCAGGOHU-UHFFFAOYSA-N -1 0 331.180 3.641 20 0 EHADRM COc1cc(Br)ccc1CCCSC[C@@H](C)C(=O)[O-] ZINC001599347170 998028617 /nfs/dbraw/zinc/02/86/17/998028617.db2.gz CJBMGOBNEQERCF-SNVBAGLBSA-N -1 0 347.274 3.844 20 0 EHADRM Cc1ccc(N2C(=O)N[C@H](c3cccc(C)c3)C(C(=O)[O-])=C2C)cc1 ZINC001594098635 998084327 /nfs/dbraw/zinc/08/43/27/998084327.db2.gz XETNBPKVNWLTDF-GOSISDBHSA-N -1 0 336.391 3.933 20 0 EHADRM COc1cc(OC)cc([C@@H](Sc2nc(C)c(C)s2)C(=O)[O-])c1 ZINC001599451866 998117326 /nfs/dbraw/zinc/11/73/26/998117326.db2.gz UHHFQEJFTSVMLP-CYBMUJFWSA-N -1 0 339.438 3.695 20 0 EHADRM COc1cc(OCC(=O)Nc2ccccc2C(C)C)ccc1C(=O)[O-] ZINC001599455772 998186192 /nfs/dbraw/zinc/18/61/92/998186192.db2.gz JWFADDAWAYZOCS-UHFFFAOYSA-N -1 0 343.379 3.534 20 0 EHADRM COc1cc(C(=O)Nc2scc(C(=O)[O-])c2C)ccc1OC(C)C ZINC001599356754 998191112 /nfs/dbraw/zinc/19/11/12/998191112.db2.gz UFVDERJHTMLFDV-UHFFFAOYSA-N -1 0 349.408 3.803 20 0 EHADRM CC1=C(C)C[C@@](C)(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)CC1 ZINC001594110014 998201945 /nfs/dbraw/zinc/20/19/45/998201945.db2.gz OGECJJQXOWTUBG-SFHVURJKSA-N -1 0 327.384 3.726 20 0 EHADRM Fc1ccc([C@H]2C[C@H](N=c3nc(-c4ccccc4)o[n-]3)CCO2)cc1 ZINC000547785991 1016200454 /nfs/dbraw/zinc/20/04/54/1016200454.db2.gz WQVNXDUZLHCKQE-IAGOWNOFSA-N -1 0 339.370 3.630 20 0 EHADRM Fc1ccc([C@H]2C[C@@H](N=c3nc(-c4ccccc4)o[n-]3)CCO2)cc1 ZINC000547785990 1016200625 /nfs/dbraw/zinc/20/06/25/1016200625.db2.gz WQVNXDUZLHCKQE-DLBZAZTESA-N -1 0 339.370 3.630 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)c2sccc2C(C)C)c1O ZINC001599362244 998280077 /nfs/dbraw/zinc/28/00/77/998280077.db2.gz OQBTUBOKTGWSFR-UHFFFAOYSA-N -1 0 335.381 3.536 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC[C@@H]2C[C@H]2c2ccccc2)c1OC ZINC001599362731 998287020 /nfs/dbraw/zinc/28/70/20/998287020.db2.gz TVMLPBPILBCQRR-GJZGRUSLSA-N -1 0 327.380 3.618 20 0 EHADRM COc1cc(C(=O)[O-])ccc1CCNc1nc2ccccc2s1 ZINC001599367321 998355867 /nfs/dbraw/zinc/35/58/67/998355867.db2.gz JTLWSJMWWRMLQQ-UHFFFAOYSA-N -1 0 328.393 3.658 20 0 EHADRM COc1cc2nc(C)sc2cc1NCc1cc(C(=O)[O-])c(C)n1C ZINC001599466774 998376078 /nfs/dbraw/zinc/37/60/78/998376078.db2.gz FSGLYRQKAMUWDD-UHFFFAOYSA-N -1 0 345.424 3.571 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N(C)Cc1ccc(F)cc1C ZINC001599371046 998409751 /nfs/dbraw/zinc/40/97/51/998409751.db2.gz ODTNHLKXYMRSCY-UHFFFAOYSA-N -1 0 346.358 3.505 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 ZINC001594145238 998473286 /nfs/dbraw/zinc/47/32/86/998473286.db2.gz NVFDOCVUDOKVNA-SOVFNULHSA-N -1 0 333.472 3.695 20 0 EHADRM COc1ccc2c(c1)-c1[n-]n([C@@H](C)c3ccc(Cl)cc3)c(=O)c1C2 ZINC000634601566 1016230155 /nfs/dbraw/zinc/23/01/55/1016230155.db2.gz QDTOOZDGDHAKGB-APPDUMDISA-N -1 0 340.810 3.828 20 0 EHADRM C[C@@H]1[C@@H](C(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)[C@@H]1c1ccccc1 ZINC001594175285 998671343 /nfs/dbraw/zinc/67/13/43/998671343.db2.gz WFGAWLDTYGEGJP-CIISACIHSA-N -1 0 330.767 3.993 20 0 EHADRM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1C(=O)c1ccc(OC(C)(C)C)cc1 ZINC001594207173 998797131 /nfs/dbraw/zinc/79/71/31/998797131.db2.gz XISQEDIBYPVHHY-STQMWFEESA-N -1 0 333.428 3.578 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1C(=O)c1nc(-c2ccccc2)cs1 ZINC001594207631 998801319 /nfs/dbraw/zinc/80/13/19/998801319.db2.gz HGHUUNYNCQNQKZ-DABQJJPHSA-N -1 0 344.436 3.524 20 0 EHADRM C[C@@H]1CC(C)(C)CN1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001594216730 998833359 /nfs/dbraw/zinc/83/33/59/998833359.db2.gz HNIPZQLDBJBMMC-GFCCVEGCSA-N -1 0 336.457 3.657 20 0 EHADRM COC(=O)c1ccccc1CSc1ncc(C(=O)[O-])cc1Cl ZINC001599002960 998834196 /nfs/dbraw/zinc/83/41/96/998834196.db2.gz MLXQDDQFTLESPZ-UHFFFAOYSA-N -1 0 337.784 3.512 20 0 EHADRM Cc1cc(N(C)C)ccc1NS(=O)(=O)c1cccc2c1CCCC2 ZINC000748096307 1016256517 /nfs/dbraw/zinc/25/65/17/1016256517.db2.gz UNRBTMOLICIFDN-UHFFFAOYSA-N -1 0 344.480 3.741 20 0 EHADRM C[C@H]1C[C@H](CCNC(=O)Nc2cc(C(=O)[O-])n(C)c2)CC(C)(C)C1 ZINC001594231470 998879730 /nfs/dbraw/zinc/87/97/30/998879730.db2.gz BQJGATKXTISWLA-STQMWFEESA-N -1 0 335.448 3.697 20 0 EHADRM C[C@@H]1C[C@@H](Nc2ccc(Cl)cc2SCCC(=O)[O-])CCO1 ZINC001594266438 999033082 /nfs/dbraw/zinc/03/30/82/999033082.db2.gz PQJCNPSYCCQKKY-PWSUYJOCSA-N -1 0 329.849 3.886 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001594269623 999042223 /nfs/dbraw/zinc/04/22/23/999042223.db2.gz LGOLUKCRUCGMHY-GXTWGEPZSA-N -1 0 344.436 3.534 20 0 EHADRM COC(C)(C)c1nc(C)c(C(=O)Nc2ccc(C)cc2C(=O)[O-])s1 ZINC001599035842 999082786 /nfs/dbraw/zinc/08/27/86/999082786.db2.gz RFZFUCQMDFQNBD-UHFFFAOYSA-N -1 0 348.424 3.592 20 0 EHADRM CC1CCC(C)(CNC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CC1 ZINC001594296435 999142367 /nfs/dbraw/zinc/14/23/67/999142367.db2.gz STWAQKNHGXITBU-UHFFFAOYSA-N -1 0 336.407 3.791 20 0 EHADRM CC1CCC(N(C(=O)NCC2(CC(=O)[O-])CCCC2)C2CC2)CC1 ZINC001594306324 999183004 /nfs/dbraw/zinc/18/30/04/999183004.db2.gz DYDCOVZULOWGNN-UHFFFAOYSA-N -1 0 336.476 3.774 20 0 EHADRM C[C@H]1CC[C@H](C(=O)N[C@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)CC1 ZINC001594312717 999201289 /nfs/dbraw/zinc/20/12/89/999201289.db2.gz DXPDETUKCNKZOP-VPCSNGCSSA-N -1 0 329.440 3.806 20 0 EHADRM CO[C@H](COC(=O)C12CCC(C(=O)[O-])(CC1)CC2)C1CCCCC1 ZINC001599055009 999223077 /nfs/dbraw/zinc/22/30/77/999223077.db2.gz BSAUWIAEBUAZMN-VNCLNFNDSA-N -1 0 338.444 3.550 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C[C@@H]1C ZINC001594315915 999223688 /nfs/dbraw/zinc/22/36/88/999223688.db2.gz ZAJABQVHQNCTNI-OHFALNGGSA-N -1 0 346.471 3.962 20 0 EHADRM C[C@@H]1CC[C@@](NC(=O)c2cccc3c2CCC3)(C(=O)[O-])c2ccccc21 ZINC001594321849 999238815 /nfs/dbraw/zinc/23/88/15/999238815.db2.gz HLENJEJKUNZATH-PEBXRYMYSA-N -1 0 349.430 3.783 20 0 EHADRM CO[C@@H](CSCCOc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001599057409 999240195 /nfs/dbraw/zinc/24/01/95/999240195.db2.gz GJCKKDOWJUGGIF-KRWDZBQOSA-N -1 0 332.421 3.885 20 0 EHADRM C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)Nc2ccc(C(=O)[O-])nc2)C1 ZINC001594330528 999270835 /nfs/dbraw/zinc/27/08/35/999270835.db2.gz UAEFKKAPBABTAH-DYVFJYSZSA-N -1 0 339.395 3.785 20 0 EHADRM C[C@H]1CCC[C@@H](C2CN(C(=O)Nc3cc(C(=O)[O-])ccc3F)C2)C1 ZINC001594344412 999302675 /nfs/dbraw/zinc/30/26/75/999302675.db2.gz CXFLJXKRHKDBDS-NWDGAFQWSA-N -1 0 334.391 3.814 20 0 EHADRM C[C@@H]1CCC[C@H](CNC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)[C@@H]1C ZINC001594347045 999314917 /nfs/dbraw/zinc/31/49/17/999314917.db2.gz VAQNPFGPYZNCTN-CKEIUWERSA-N -1 0 344.455 3.525 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N(C)[C@H]2CCC[C@@H](C)C2)cc1)C(=O)[O-] ZINC001594347951 999317297 /nfs/dbraw/zinc/31/72/97/999317297.db2.gz CUKUZPMIIDOPCF-CPUCHLNUSA-N -1 0 332.444 3.992 20 0 EHADRM C[C@H](NC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1)[C@H]1CCC[C@@H](C)C1 ZINC001594355154 999340710 /nfs/dbraw/zinc/34/07/10/999340710.db2.gz ISTHSWONMBHRFH-RREVIBGHSA-N -1 0 329.440 3.576 20 0 EHADRM C[C@H](NC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)[C@H]1CCC[C@@H](C)C1 ZINC001594356776 999348439 /nfs/dbraw/zinc/34/84/39/999348439.db2.gz ZVQGOQRXLWOCEE-LDDOYCOJSA-N -1 0 344.455 3.595 20 0 EHADRM C[C@@H]1CCC[C@@H]1CC(=O)N1CCCC[C@H]1c1ccc(C(=O)[O-])n1C ZINC001594357079 999349926 /nfs/dbraw/zinc/34/99/26/999349926.db2.gz ITUZOVJSVCNXHC-FMKPAKJESA-N -1 0 332.444 3.603 20 0 EHADRM C[C@H]1CCCCN(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)C1 ZINC001594369844 999392626 /nfs/dbraw/zinc/39/26/26/999392626.db2.gz CLEAGKCCAPSJCF-VIFPVBQESA-N -1 0 328.771 3.831 20 0 EHADRM C[C@H]1CCCCN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC001594370035 999393603 /nfs/dbraw/zinc/39/36/03/999393603.db2.gz DVJULYVFZIZSMM-HOCLYGCPSA-N -1 0 332.444 3.670 20 0 EHADRM C[C@@H]1CCCC[C@H]1NC(=S)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC001594370490 999396310 /nfs/dbraw/zinc/39/63/10/999396310.db2.gz HYWYHQJBYLUGMG-MWLCHTKSSA-N -1 0 338.498 3.800 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)C[C@@H]1F ZINC001594406074 999520185 /nfs/dbraw/zinc/52/01/85/999520185.db2.gz RFPMNRDHILKQJL-ONGXEEELSA-N -1 0 340.420 3.537 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC001594409368 999529456 /nfs/dbraw/zinc/52/94/56/999529456.db2.gz FUBAPUYAAZOQEM-SJKOYZFVSA-N -1 0 327.355 3.747 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc3cccc(Cl)c3s2)[C@H](C(=O)[O-])C1 ZINC001594409531 999529970 /nfs/dbraw/zinc/52/99/70/999529970.db2.gz HFMPNDQSXHLWAK-CABZTGNLSA-N -1 0 337.828 3.880 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)NC[C@H](CC3CCCC3)C(=O)[O-])cc2C1 ZINC001594450995 999649268 /nfs/dbraw/zinc/64/92/68/999649268.db2.gz RILZWYINDPZUDB-DOMZBBRYSA-N -1 0 349.496 3.884 20 0 EHADRM C[C@H]1CN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)c2ccccc2S1 ZINC001594466929 999691825 /nfs/dbraw/zinc/69/18/25/999691825.db2.gz UPQQUEAPGDYTQA-DVBBHNHCSA-N -1 0 329.377 3.518 20 0 EHADRM CC(C)[C@H](CNC(=O)C1(Sc2ccccc2)CCCC1)C(=O)[O-] ZINC000655572836 1016362384 /nfs/dbraw/zinc/36/23/84/1016362384.db2.gz GWMPRYATMNHREI-HNNXBMFYSA-N -1 0 335.469 3.565 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2ccccc2F)cc1Cl ZINC000038103731 1016440486 /nfs/dbraw/zinc/44/04/86/1016440486.db2.gz RYTJSEVOVPNESJ-UHFFFAOYSA-N -1 0 329.780 3.679 20 0 EHADRM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3cc(C)cc(F)c3)c2C)o1 ZINC000340148817 1016472300 /nfs/dbraw/zinc/47/23/00/1016472300.db2.gz PECRMKLYWKLXIF-UHFFFAOYSA-N -1 0 349.387 3.535 20 0 EHADRM COc1cc(C(=O)N=[S@@](C)(=O)C2CCCCC2)cc(Cl)c1[O-] ZINC000926008520 1016558458 /nfs/dbraw/zinc/55/84/58/1016558458.db2.gz AZYFEQXNRBSSTP-QFIPXVFZSA-N -1 0 345.848 3.625 20 0 EHADRM O=C(NCC1(c2ccc(Cl)cc2)CC1)c1c([O-])cc(F)cc1F ZINC000589701166 1016829224 /nfs/dbraw/zinc/82/92/24/1016829224.db2.gz ILQLHNQNCKDABT-UHFFFAOYSA-N -1 0 337.753 3.785 20 0 EHADRM C[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1cccc(-n2cccn2)c1 ZINC000180105261 1016890379 /nfs/dbraw/zinc/89/03/79/1016890379.db2.gz UXPYEQXYSKHCLF-LBPRGKRZSA-N -1 0 341.798 3.722 20 0 EHADRM CC(C)n1ncc2cc(C(=O)Nc3cccc(Cl)c3[O-])cnc21 ZINC000340317490 1016933815 /nfs/dbraw/zinc/93/38/15/1016933815.db2.gz PMZWRNDLSNNZSS-UHFFFAOYSA-N -1 0 330.775 3.624 20 0 EHADRM CC[C@H](CSc1ccccc1)NC(=O)C1CCC(C(=O)[O-])CC1 ZINC000659758557 1016978702 /nfs/dbraw/zinc/97/87/02/1016978702.db2.gz FVVFLDSNMKRHHE-YMAMQOFZSA-N -1 0 335.469 3.565 20 0 EHADRM CC(C)c1ccc(CN(C)C(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000659752915 1016979709 /nfs/dbraw/zinc/97/97/09/1016979709.db2.gz UDZJSFCJWWKUHX-UHFFFAOYSA-N -1 0 341.407 3.546 20 0 EHADRM CCCCN(C(=O)N=c1cc(C)c(C)n[n-]1)[C@@H](C)c1ccccc1 ZINC000547829905 1016981407 /nfs/dbraw/zinc/98/14/07/1016981407.db2.gz HUHFHBJIRHZUCH-INIZCTEOSA-N -1 0 326.444 3.911 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)c2cc3cc(Cl)ccc3s2)C1 ZINC000659761648 1016982006 /nfs/dbraw/zinc/98/20/06/1016982006.db2.gz CZRJYRRKZOQNGK-SNVBAGLBSA-N -1 0 337.828 3.882 20 0 EHADRM Cc1ccc(SCCC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655585346 1016983113 /nfs/dbraw/zinc/98/31/13/1016983113.db2.gz WHVHHCHVRHOGQV-CWRNSKLLSA-N -1 0 349.496 3.729 20 0 EHADRM C[C@@H](CNC(=O)N(C)CCCC(=O)[O-])c1c(Cl)cccc1Cl ZINC000414615605 1017044923 /nfs/dbraw/zinc/04/49/23/1017044923.db2.gz PPELGIVFUFEAHS-JTQLQIEISA-N -1 0 347.242 3.603 20 0 EHADRM O=C(NCc1ccc(Cl)cn1)c1c([O-])cc(Cl)cc1Cl ZINC000182154764 1017054261 /nfs/dbraw/zinc/05/42/61/1017054261.db2.gz JNDUPNOECKBBMF-UHFFFAOYSA-N -1 0 331.586 3.677 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)c3ccc([O-])c(Cl)c3)c2)no1 ZINC000183488190 1032176232 /nfs/dbraw/zinc/17/62/32/1032176232.db2.gz QCVFYWXMXTZZMI-UHFFFAOYSA-N -1 0 329.743 3.656 20 0 EHADRM CC(C)C[C@@H](NC(=O)N(C)CCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000414626940 1017075926 /nfs/dbraw/zinc/07/59/26/1017075926.db2.gz LEYDSTTVHUVHIF-OAHLLOKOSA-N -1 0 340.851 3.933 20 0 EHADRM Cc1cc(C(=O)N=c2[n-]nc(-c3ccsc3)s2)cc(C)c1F ZINC000485077055 1032288913 /nfs/dbraw/zinc/28/89/13/1032288913.db2.gz ITTKJVXSDBQJHO-UHFFFAOYSA-N -1 0 333.413 3.697 20 0 EHADRM O=S(=O)(Cc1ccccc1Cl)Nc1cc2c(cn1)CCCC2 ZINC000461184215 1032314774 /nfs/dbraw/zinc/31/47/74/1032314774.db2.gz CDVIXHPLACSFQL-UHFFFAOYSA-N -1 0 336.844 3.556 20 0 EHADRM Cc1cc(Cl)cnc1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000461207385 1032318578 /nfs/dbraw/zinc/31/85/78/1032318578.db2.gz CBWASCGPOPGQSO-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM C[C@H]1C[C@H](c2nc(=O)c3snc(-c4ccc(F)cc4)c3[n-]2)CCO1 ZINC000905030963 1032330734 /nfs/dbraw/zinc/33/07/34/1032330734.db2.gz CVPRMRSPMSDNKD-GXSJLCMTSA-N -1 0 345.399 3.881 20 0 EHADRM Cc1ccc([C@H]2CCN(C(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)C2)c(C)c1 ZINC000905125098 1032349684 /nfs/dbraw/zinc/34/96/84/1032349684.db2.gz ZBXPSBQGGDWXDC-IKGGRYGDSA-N -1 0 329.440 3.510 20 0 EHADRM Cc1csc(Nc2cccc(NC(=O)CC3(C(=O)[O-])CCC3)c2)n1 ZINC000905130274 1032358315 /nfs/dbraw/zinc/35/83/15/1032358315.db2.gz CWFNAEAHGAGCNZ-UHFFFAOYSA-N -1 0 345.424 3.779 20 0 EHADRM CC1(C(=O)N=c2nc(-c3ccsc3)[n-]s2)CCC(F)(F)CC1 ZINC000528503036 1032367209 /nfs/dbraw/zinc/36/72/09/1032367209.db2.gz JOZYPVFACIBWHS-UHFFFAOYSA-N -1 0 343.424 3.843 20 0 EHADRM Cc1cc(S(=O)(=O)Nc2cccc(C3CCC3)c2)ccc1C(=O)[O-] ZINC000461331459 1032403437 /nfs/dbraw/zinc/40/34/37/1032403437.db2.gz GUOAXXRHWNDQAG-UHFFFAOYSA-N -1 0 345.420 3.762 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2scnc2-c2ccccc2)c1 ZINC000536897320 1032406933 /nfs/dbraw/zinc/40/69/33/1032406933.db2.gz QCDJUUCNGZASSJ-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM COc1cccc([C@H](C)CC(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC000237325486 1032416141 /nfs/dbraw/zinc/41/61/41/1032416141.db2.gz NEAYUYXWXMOVIK-CYBMUJFWSA-N -1 0 327.380 3.834 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCC(C)C)c(F)c1 ZINC000404931171 1032437086 /nfs/dbraw/zinc/43/70/86/1032437086.db2.gz MDMUVEOBYZPXJI-UHFFFAOYSA-N -1 0 337.416 3.970 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000414628897 1017082278 /nfs/dbraw/zinc/08/22/78/1017082278.db2.gz NHJXNYSBBJJNEK-LNSITVRQSA-N -1 0 338.835 3.543 20 0 EHADRM O=S(=O)([N-]c1cccc(-c2cc[nH]n2)c1)c1cc2ccccc2o1 ZINC000084920160 1032467575 /nfs/dbraw/zinc/46/75/75/1032467575.db2.gz JSDBAKGEQZVQDI-UHFFFAOYSA-N -1 0 339.376 3.624 20 0 EHADRM Cc1nc2sc(-c3ccccc3)cc2c(NCCCC(=O)[O-])n1 ZINC000020314880 1032523776 /nfs/dbraw/zinc/52/37/76/1032523776.db2.gz SMMUQVWGRYDJHR-UHFFFAOYSA-N -1 0 327.409 3.943 20 0 EHADRM CCSCc1ccnc([N-]S(=O)(=O)c2cc(C)cc(F)c2)c1 ZINC000090367824 1032566013 /nfs/dbraw/zinc/56/60/13/1032566013.db2.gz PRZZFVKPFPDBPM-UHFFFAOYSA-N -1 0 340.445 3.583 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000601995863 1032587001 /nfs/dbraw/zinc/58/70/01/1032587001.db2.gz OXCPBHAWRYDXJU-UHIISALHSA-N -1 0 341.448 3.624 20 0 EHADRM O=C(Nc1cc(-c2cccs2)[nH]n1)c1ccc2[n-]c(=S)oc2c1 ZINC000172325568 1032597600 /nfs/dbraw/zinc/59/76/00/1032597600.db2.gz WEWMEJAXHLHTCP-UHFFFAOYSA-N -1 0 342.405 3.820 20 0 EHADRM Cc1ccc(CNC(=O)N=c2nc(-c3ccsc3)[n-]s2)c(C)c1 ZINC000460124868 1032602533 /nfs/dbraw/zinc/60/25/33/1032602533.db2.gz MXCQIUYHMSAWSV-UHFFFAOYSA-N -1 0 344.465 3.627 20 0 EHADRM Cc1ccccc1CN(CCCC(=O)[O-])C(=O)N1CCC(C)CC1 ZINC000669622862 1032604654 /nfs/dbraw/zinc/60/46/54/1032604654.db2.gz RWUQDWQIHGHDIE-UHFFFAOYSA-N -1 0 332.444 3.514 20 0 EHADRM CCN(CCSC)C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000592917115 1032612130 /nfs/dbraw/zinc/61/21/30/1032612130.db2.gz FYORTAGYKSJPGN-UHFFFAOYSA-N -1 0 347.484 3.526 20 0 EHADRM CC[C@H](c1n[n-]c(=NC(=O)N2CCC[C@H]2CC)s1)c1ccccc1 ZINC000592937565 1032622148 /nfs/dbraw/zinc/62/21/48/1032622148.db2.gz HMJRDOWHTGWDNW-CABCVRRESA-N -1 0 344.484 3.908 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cn(C)nc2-c2ccccc2)c(C)s1 ZINC000091055929 1032629710 /nfs/dbraw/zinc/62/97/10/1032629710.db2.gz BXJFFDQUHCJQAY-UHFFFAOYSA-N -1 0 347.465 3.566 20 0 EHADRM C[C@@H]1C[C@H](CCNC(=O)C[C@@]2(C(=O)[O-])CCSC2)CC(C)(C)C1 ZINC000683437406 1017079762 /nfs/dbraw/zinc/07/97/62/1017079762.db2.gz IRBGBPWXDWNTMF-GLJUWKHASA-N -1 0 341.517 3.553 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cc3ccccc3o2)cnn1C1CCCC1 ZINC000683441963 1017127941 /nfs/dbraw/zinc/12/79/41/1017127941.db2.gz QVEYWXKPLSNMBN-UHFFFAOYSA-N -1 0 345.424 3.854 20 0 EHADRM Cc1ccc(CCC(=O)N2CC[C@](C(=O)[O-])(C(C)C)C2)cc1Cl ZINC000324497456 1017209805 /nfs/dbraw/zinc/20/98/05/1017209805.db2.gz KHIQWHJVZMRHNE-GOSISDBHSA-N -1 0 337.847 3.540 20 0 EHADRM COc1ccc([C@H](NC(=O)c2cc(F)c([O-])c(F)c2)C(C)C)cc1 ZINC000183342988 1017296456 /nfs/dbraw/zinc/29/64/56/1017296456.db2.gz PYIHCMALSMAIEF-MRXNPFEDSA-N -1 0 335.350 3.806 20 0 EHADRM Cc1cc(C)n(-c2ccccc2NC(=O)c2cc(F)c([O-])c(F)c2)n1 ZINC000183383060 1017310788 /nfs/dbraw/zinc/31/07/88/1017310788.db2.gz BYFPCDNUWHDJEF-UHFFFAOYSA-N -1 0 343.333 3.725 20 0 EHADRM Cc1ccc([C@H]([N-]S(=O)(=O)CC2CCCCC2)C(F)(F)F)o1 ZINC000655659805 1017347648 /nfs/dbraw/zinc/34/76/48/1017347648.db2.gz ACDYKCWBJNUJCK-ZDUSSCGKSA-N -1 0 339.379 3.691 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)c1 ZINC000537395721 1032693077 /nfs/dbraw/zinc/69/30/77/1032693077.db2.gz YZOHWBHZMDGGJS-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM CC[C@H](Cc1ccc(NS(=O)(=O)CCC(C)(C)C)cc1)C(=O)[O-] ZINC000547934556 1017398497 /nfs/dbraw/zinc/39/84/97/1017398497.db2.gz FHXZDNQWIBZOST-CQSZACIVSA-N -1 0 341.473 3.518 20 0 EHADRM CC(C)(C)c1ncc(C(=O)N[C@H](CC(=O)[O-])C2CCCCC2)s1 ZINC000537412617 1032714829 /nfs/dbraw/zinc/71/48/29/1032714829.db2.gz WMECBNISTPNXIJ-GFCCVEGCSA-N -1 0 338.473 3.594 20 0 EHADRM CCC(CC)(CC(=O)N[C@H]1CCSc2ccc(F)cc21)C(=O)[O-] ZINC000320026497 1017730345 /nfs/dbraw/zinc/73/03/45/1017730345.db2.gz NPKVSBWEOFLCEZ-ZDUSSCGKSA-N -1 0 339.432 3.760 20 0 EHADRM CCC1(C(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)CCC(F)(F)CC1 ZINC000659129677 1017766945 /nfs/dbraw/zinc/76/69/45/1017766945.db2.gz XYHXUFGGSGHAMM-UHFFFAOYSA-N -1 0 343.370 3.850 20 0 EHADRM Cc1nc2ccc(C[NH2+][C@@H](CC(=O)[O-])c3cccs3)cc2s1 ZINC000669473030 1032723197 /nfs/dbraw/zinc/72/31/97/1032723197.db2.gz VFIUQOWRDGBOBE-ZDUSSCGKSA-N -1 0 332.450 3.972 20 0 EHADRM CC(C)[C@H](CNC(=O)N[C@H](C)c1cc2ccccc2s1)C(=O)[O-] ZINC000655876885 1017843129 /nfs/dbraw/zinc/84/31/29/1017843129.db2.gz QPLAQJHMQFZDKR-YPMHNXCESA-N -1 0 334.441 3.618 20 0 EHADRM CCN(C(=O)NC[C@@H](C(=O)[O-])C(C)C)[C@H](C)c1cc2ccccc2o1 ZINC000655891425 1017860616 /nfs/dbraw/zinc/86/06/16/1017860616.db2.gz DKYRPLUXAUHQNO-UKRRQHHQSA-N -1 0 346.427 3.882 20 0 EHADRM CC(C)CC1(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)CCCC1 ZINC000325255996 1017877984 /nfs/dbraw/zinc/87/79/84/1017877984.db2.gz WRSNGSGRQJHZOP-QGZVFWFLSA-N -1 0 329.440 3.804 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000317282586 1018011466 /nfs/dbraw/zinc/01/14/66/1018011466.db2.gz XMZMKXOWUAJGMO-UHFFFAOYSA-N -1 0 345.113 3.999 20 0 EHADRM CCCCS(=O)(=O)[N-]C(=O)COc1ccc(C(C)C)c(C)c1 ZINC000042343509 1018320407 /nfs/dbraw/zinc/32/04/07/1018320407.db2.gz WZDAGYYKGABEDL-UHFFFAOYSA-N -1 0 327.446 3.584 20 0 EHADRM CCCCc1cc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)[nH]n1 ZINC000471498960 1018321487 /nfs/dbraw/zinc/32/14/87/1018321487.db2.gz IDMYSPDPMAKXOS-UHFFFAOYSA-N -1 0 345.827 3.654 20 0 EHADRM CCCCc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2C)n[nH]1 ZINC000471504676 1018384857 /nfs/dbraw/zinc/38/48/57/1018384857.db2.gz VHFNQCSKIDOVAZ-UHFFFAOYSA-N -1 0 327.837 3.515 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)C1 ZINC000580049170 1018546630 /nfs/dbraw/zinc/54/66/30/1018546630.db2.gz YWQPBUOXIOGGMP-RYQLBKOJSA-N -1 0 344.455 3.609 20 0 EHADRM Nc1ccc(S(=O)(=O)[N-]c2cc3cc(F)ccc3o2)cc1Cl ZINC001210728216 1018570425 /nfs/dbraw/zinc/57/04/25/1018570425.db2.gz FOWWDPVMEDIPGU-UHFFFAOYSA-N -1 0 340.763 3.608 20 0 EHADRM O=C(NCC1(c2ccccc2)CCOCC1)c1ccc([O-])c(Cl)c1 ZINC000031931693 1032785169 /nfs/dbraw/zinc/78/51/69/1032785169.db2.gz AHCDIAXGMZJBLT-UHFFFAOYSA-N -1 0 345.826 3.524 20 0 EHADRM Cc1ccc(C)c(-c2ccc(S(=O)(=O)CCCC(=O)[O-])cc2)c1 ZINC000580216965 1018798657 /nfs/dbraw/zinc/79/86/57/1018798657.db2.gz ODOZGJXMOAIFOD-UHFFFAOYSA-N -1 0 332.421 3.609 20 0 EHADRM Cc1n[n-]c(=NC[C@H](C)Sc2ccc(Br)cc2)s1 ZINC000607145321 1018804714 /nfs/dbraw/zinc/80/47/14/1018804714.db2.gz BISDQORWHIHWDC-QMMMGPOBSA-N -1 0 344.303 3.624 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1)C(=O)c1ccccc1 ZINC000602323134 1032789549 /nfs/dbraw/zinc/78/95/49/1032789549.db2.gz RVQPOECEBPIUBY-ZDUSSCGKSA-N -1 0 349.390 3.630 20 0 EHADRM Cc1ccccc1-c1n[n-]c(=NCc2coc(-c3ccccc3)n2)o1 ZINC000580256230 1018878749 /nfs/dbraw/zinc/87/87/49/1018878749.db2.gz ZYXJSFVHQWPJFV-UHFFFAOYSA-N -1 0 332.363 3.734 20 0 EHADRM O=C([O-])C12CCC(CC1)N2C(=O)Cc1csc2ccc(Cl)cc12 ZINC000630325856 1018928646 /nfs/dbraw/zinc/92/86/46/1018928646.db2.gz WROOHABEDKSHQE-UHFFFAOYSA-N -1 0 349.839 3.705 20 0 EHADRM CC[C@@H](NC(=O)c1c([O-])cc(F)cc1F)c1cc(F)ccc1F ZINC000607191252 1019072228 /nfs/dbraw/zinc/07/22/28/1019072228.db2.gz CHYMOKXHPYSBRQ-CYBMUJFWSA-N -1 0 327.277 3.830 20 0 EHADRM COc1ccc2nc(CNc3cc(C(=O)[O-])ccc3OC)sc2c1 ZINC000340681158 1019240042 /nfs/dbraw/zinc/24/00/42/1019240042.db2.gz QREVAJKUSJTERE-UHFFFAOYSA-N -1 0 344.392 3.624 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)Nc1ccc(F)cc1 ZINC000683921125 1019242275 /nfs/dbraw/zinc/24/22/75/1019242275.db2.gz GMYKUPZWXSRWCH-CZUORRHYSA-N -1 0 334.391 3.713 20 0 EHADRM O=C([N-]S(=O)(=O)c1cccs1)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000050204584 1019263712 /nfs/dbraw/zinc/26/37/12/1019263712.db2.gz AGWULANNXFZOFW-VXGBXAGGSA-N -1 0 341.841 3.850 20 0 EHADRM Cc1cc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)cc2cc[nH]c21 ZINC001167939021 1019286746 /nfs/dbraw/zinc/28/67/46/1019286746.db2.gz MVDZYNKTPIMSOW-UHFFFAOYSA-N -1 0 342.335 3.561 20 0 EHADRM CCC/C=C/C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000729350507 1019310704 /nfs/dbraw/zinc/31/07/04/1019310704.db2.gz JJSPUEHJTXBXHO-LHHJGKSTSA-N -1 0 344.436 3.782 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3Cl)c2)cc1 ZINC000261440949 1019366786 /nfs/dbraw/zinc/36/67/86/1019366786.db2.gz IHQBWNWQEOKHKV-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM CCC[C@@](C)(NC(=O)Nc1ccc2oc(C(C)C)nc2c1)C(=O)[O-] ZINC000580468845 1019411806 /nfs/dbraw/zinc/41/18/06/1019411806.db2.gz ZQLZJBMAUQRMBW-QGZVFWFLSA-N -1 0 333.388 3.716 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1cccc(OCCc2ccccc2)c1 ZINC000656232954 1019470273 /nfs/dbraw/zinc/47/02/73/1019470273.db2.gz SJBPSQDMHBNNRZ-OAHLLOKOSA-N -1 0 341.407 3.748 20 0 EHADRM C[C@@H](CNC(=O)[C@H](Sc1ccccc1)c1ccccc1)CC(=O)[O-] ZINC000262155280 1019550510 /nfs/dbraw/zinc/55/05/10/1019550510.db2.gz MHEXGGMTHJFHIQ-RDTXWAMCSA-N -1 0 343.448 3.747 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2F)cc1OC(F)F ZINC000513374423 1019595303 /nfs/dbraw/zinc/59/53/03/1019595303.db2.gz YMCUCIHUTKOPLC-UHFFFAOYSA-N -1 0 349.305 3.675 20 0 EHADRM Cc1c(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)oc2c1C(=O)CCC2 ZINC000262563894 1019666643 /nfs/dbraw/zinc/66/66/43/1019666643.db2.gz XFTPUOXRHRMCNZ-UHFFFAOYSA-N -1 0 341.363 3.674 20 0 EHADRM Cc1nc(CCCC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cs1 ZINC000262779739 1019727457 /nfs/dbraw/zinc/72/74/57/1019727457.db2.gz MDFOLCDIUVRYIT-UHFFFAOYSA-N -1 0 332.425 3.728 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C1 ZINC000262920653 1019767128 /nfs/dbraw/zinc/76/71/28/1019767128.db2.gz NZJIRKCTVXVTPX-IBGZPJMESA-N -1 0 345.370 3.659 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)C1CCC(C(=O)[O-])CC1)CC2 ZINC000262953345 1019774109 /nfs/dbraw/zinc/77/41/09/1019774109.db2.gz LLOCDFKVWMRIHO-JTTJXQCZSA-N -1 0 329.440 3.805 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)c2nc3ccccc3cc2Cl)s[n-]1 ZINC000580646267 1019783626 /nfs/dbraw/zinc/78/36/26/1019783626.db2.gz JZVBZRLOWVTSKJ-UHFFFAOYSA-N -1 0 346.843 3.711 20 0 EHADRM Cc1cc(CCCC(=O)N2CC[C@@](C(=O)[O-])(C(C)C)C2)c(C)s1 ZINC000263112029 1019820393 /nfs/dbraw/zinc/82/03/93/1019820393.db2.gz WOBCSCJWRAUDEF-SFHVURJKSA-N -1 0 337.485 3.647 20 0 EHADRM Cc1nc(C(=O)Nc2ccccc2OC2CCCC2)ccc1C(=O)[O-] ZINC000263355382 1019883258 /nfs/dbraw/zinc/88/32/58/1019883258.db2.gz RKOHKVJTJSDVJA-UHFFFAOYSA-N -1 0 340.379 3.662 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000263526565 1019923579 /nfs/dbraw/zinc/92/35/79/1019923579.db2.gz KEISTTKIXXSCLD-LTFXXXRZSA-N -1 0 341.451 3.672 20 0 EHADRM Cc1oc(-c2ccccc2)c(C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1C ZINC000263529452 1019925719 /nfs/dbraw/zinc/92/57/19/1019925719.db2.gz LRNCUIGKESRFRG-LRDDRELGSA-N -1 0 341.407 3.746 20 0 EHADRM CC(C)c1nc([C@@H]2CCCCCN2C(=O)c2c([O-])cccc2F)no1 ZINC000548134274 1020047818 /nfs/dbraw/zinc/04/78/18/1020047818.db2.gz FZQMDRHAKJOSQN-ZDUSSCGKSA-N -1 0 347.390 3.795 20 0 EHADRM Cc1cnc(F)c(Nc2ccc3ccccc3c2S(=O)(=O)[O-])c1 ZINC001211506034 1020290052 /nfs/dbraw/zinc/29/00/52/1020290052.db2.gz NGHZMINIQAQGAI-UHFFFAOYSA-N -1 0 332.356 3.673 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CNC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c2ccccc21 ZINC000684133091 1020346156 /nfs/dbraw/zinc/34/61/56/1020346156.db2.gz IIFBHXVWKIUTRE-FZDIXFNVSA-N -1 0 341.451 3.697 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3n2C(C)C)s1 ZINC000581142997 1020477638 /nfs/dbraw/zinc/47/76/38/1020477638.db2.gz SBVGAXRZVRWLOL-UHFFFAOYSA-N -1 0 335.454 3.788 20 0 EHADRM COc1cc(C)c([N-]S(=O)(=O)c2ccc(F)cc2F)c(C)c1C ZINC000581211744 1020521649 /nfs/dbraw/zinc/52/16/49/1020521649.db2.gz KZXJIEVRLJEJDP-UHFFFAOYSA-N -1 0 341.379 3.699 20 0 EHADRM O=C(NCC1(c2cccc(Cl)c2)CC1)c1c([O-])cc(F)cc1F ZINC000606931876 1032916548 /nfs/dbraw/zinc/91/65/48/1032916548.db2.gz DETNJULRTYPNRW-UHFFFAOYSA-N -1 0 337.753 3.785 20 0 EHADRM COc1nc(C(F)(F)F)ccc1-c1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000581321282 1020686156 /nfs/dbraw/zinc/68/61/56/1020686156.db2.gz FCQNVQOTLXQNCA-SECBINFHSA-N -1 0 325.286 3.964 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@@H](C)c1c(Cl)cccc1Cl ZINC000676868386 1020809091 /nfs/dbraw/zinc/80/90/91/1020809091.db2.gz LRNFIBXQTJOGJC-ZJUUUORDSA-N -1 0 332.227 3.809 20 0 EHADRM COCc1csc(CNc2cc(CCC(=O)[O-])ccc2OC)c1 ZINC000656566147 1020922956 /nfs/dbraw/zinc/92/29/56/1020922956.db2.gz FJOJITUUHYJRKR-UHFFFAOYSA-N -1 0 335.425 3.532 20 0 EHADRM C[C@H](c1ccccc1)[C@H](NCc1ncc(C(C)(C)C)s1)C(=O)[O-] ZINC000656570036 1020939996 /nfs/dbraw/zinc/93/99/96/1020939996.db2.gz VPXWYYQLFPRGIY-WBMJQRKESA-N -1 0 332.469 3.787 20 0 EHADRM CCc1nn(C)c(Cl)c1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000760426830 1032943712 /nfs/dbraw/zinc/94/37/12/1032943712.db2.gz OTCSTULTSZAJGB-UHFFFAOYSA-N -1 0 348.617 3.901 20 0 EHADRM Cc1cc(Cl)ccc1S(=O)(=O)Nc1ccc2c(c1)CCOC2 ZINC000656636189 1021064889 /nfs/dbraw/zinc/06/48/89/1021064889.db2.gz WZSIBSJOZVLMSP-UHFFFAOYSA-N -1 0 337.828 3.522 20 0 EHADRM CCS[C@@H](C)c1noc(CN(CC)c2cccc(C(=O)[O-])c2)n1 ZINC000581559900 1021088135 /nfs/dbraw/zinc/08/81/35/1021088135.db2.gz PCNMXWVDOLFJDG-NSHDSACASA-N -1 0 335.429 3.608 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(Cl)cc(Br)c2[O-])C[C@H]1C ZINC000439116562 1021161711 /nfs/dbraw/zinc/16/17/11/1021161711.db2.gz PNKNMTVQBBWTOT-OCAPTIKFSA-N -1 0 332.625 3.536 20 0 EHADRM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2ccc(C)nc2C)c1 ZINC000656727416 1021212853 /nfs/dbraw/zinc/21/28/53/1021212853.db2.gz HVVCTTWYZJVGEX-ZDUSSCGKSA-N -1 0 334.441 3.677 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)C(=O)OC(C)(C)C ZINC000436767727 1021214804 /nfs/dbraw/zinc/21/48/04/1021214804.db2.gz HJMZWWAWCXLFSM-CYBMUJFWSA-N -1 0 341.835 3.532 20 0 EHADRM Cc1ccnc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1C1CC1 ZINC000656737838 1021234884 /nfs/dbraw/zinc/23/48/84/1021234884.db2.gz BMPOMWBSJSRRAR-UHFFFAOYSA-N -1 0 340.807 3.861 20 0 EHADRM O=C(NCc1c(F)cccc1N1CCCC1)c1ccc([O-])c(Cl)c1 ZINC000436808201 1021253553 /nfs/dbraw/zinc/25/35/53/1021253553.db2.gz NQFLEZMPHRABRV-UHFFFAOYSA-N -1 0 348.805 3.715 20 0 EHADRM COc1ccc(F)cc1CNC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000436827562 1021259713 /nfs/dbraw/zinc/25/97/13/1021259713.db2.gz TYFPRHMTWOAUAB-UHFFFAOYSA-N -1 0 344.169 3.777 20 0 EHADRM O=S(=O)(NCCCC(F)(F)F)c1c(Cl)cccc1Cl ZINC000439227463 1021261027 /nfs/dbraw/zinc/26/10/27/1021261027.db2.gz DBQKCTJCQZJMLT-UHFFFAOYSA-N -1 0 336.162 3.614 20 0 EHADRM O=C(Nc1ncc(-c2cccnc2)s1)c1cc(F)c([O-])c(Cl)c1 ZINC000436836460 1021271088 /nfs/dbraw/zinc/27/10/88/1021271088.db2.gz CRNJCFHFSQPGNC-UHFFFAOYSA-N -1 0 349.774 3.956 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccccc2F)cccc1-c1ncco1 ZINC000427293483 1021285398 /nfs/dbraw/zinc/28/53/98/1021285398.db2.gz BTRBKWZDFRLCJN-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM CCc1ccc(C(=O)N=c2[nH]n(C3CCCCC3)cc2C)c([O-])c1 ZINC000436843078 1021286751 /nfs/dbraw/zinc/28/67/51/1021286751.db2.gz GAZKOGONVWKZPK-UHFFFAOYSA-N -1 0 327.428 3.639 20 0 EHADRM COc1cccc(NC(=O)c2cc(F)cc(Br)c2[O-])c1 ZINC000436846187 1021289049 /nfs/dbraw/zinc/28/90/49/1021289049.db2.gz BENFSPHTFGKYON-UHFFFAOYSA-N -1 0 340.148 3.555 20 0 EHADRM C[C@@H]1CCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000656764432 1021290088 /nfs/dbraw/zinc/29/00/88/1021290088.db2.gz BFTYKTIJOXXDDB-BFVZDQMLSA-N -1 0 332.227 3.618 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CCc2ccc(OC(F)F)cc2)c1 ZINC000436868887 1021309180 /nfs/dbraw/zinc/30/91/80/1021309180.db2.gz IWAMENKEBDVLFX-UHFFFAOYSA-N -1 0 349.333 3.768 20 0 EHADRM CC(=O)c1ccsc1[N-]S(=O)(=O)c1csc2ccccc21 ZINC000427333786 1021318443 /nfs/dbraw/zinc/31/84/43/1021318443.db2.gz CIPFJCRHYBWVGQ-UHFFFAOYSA-N -1 0 337.447 3.966 20 0 EHADRM C[C@@H](N(C)C(=O)c1cc(F)cc(Br)c1[O-])C1(C)CC1 ZINC000436888741 1021340782 /nfs/dbraw/zinc/34/07/82/1021340782.db2.gz OMEYPGPMIWHRSO-MRVPVSSYSA-N -1 0 330.197 3.554 20 0 EHADRM CC(C)(C)CCCNS(=O)(=O)c1sccc1Br ZINC000313447930 1021347086 /nfs/dbraw/zinc/34/70/86/1021347086.db2.gz OHVDKMJTUCWQEU-UHFFFAOYSA-N -1 0 340.308 3.615 20 0 EHADRM [O-]c1cc(Cl)ccc1-c1nc(-c2cccnc2N2CCCC2)no1 ZINC000436907169 1021352357 /nfs/dbraw/zinc/35/23/57/1021352357.db2.gz RPNYURCCVYLCRR-UHFFFAOYSA-N -1 0 342.786 3.758 20 0 EHADRM CCN(Cc1ccc2ccccc2c1)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000646174375 1032973165 /nfs/dbraw/zinc/97/31/65/1032973165.db2.gz PGEOZDRLSVHIRE-ZWKOTPCHSA-N -1 0 340.423 3.625 20 0 EHADRM O=C(N[C@H]1C[C@@H]1c1c(F)cccc1F)c1cc(F)c([O-])c(Cl)c1 ZINC000436898006 1021361581 /nfs/dbraw/zinc/36/15/81/1021361581.db2.gz VURSOLABBQBYQV-SDBXPKJASA-N -1 0 341.716 3.749 20 0 EHADRM C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc([O-])c(Cl)c1 ZINC000436916248 1021369825 /nfs/dbraw/zinc/36/98/25/1021369825.db2.gz VIRXWKRNMOAHKD-APPDUMDISA-N -1 0 331.799 3.510 20 0 EHADRM Cc1c(NC(=O)c2cc(F)c([O-])c(Cl)c2)cnn1CCC(C)C ZINC000436962882 1021412294 /nfs/dbraw/zinc/41/22/94/1021412294.db2.gz FMPVENPKGMBJGD-UHFFFAOYSA-N -1 0 339.798 3.988 20 0 EHADRM CC1(C)CN(C(=O)c2cc(F)c([O-])c(F)c2)C[C@@H]1c1ccccc1 ZINC000436967883 1021414814 /nfs/dbraw/zinc/41/48/14/1021414814.db2.gz REDWDCDCWKGNFH-CQSZACIVSA-N -1 0 331.362 3.936 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)NC[C@@H]1CCCC(F)(F)C1)C1CCCCC1 ZINC000507691180 1021443236 /nfs/dbraw/zinc/44/32/36/1021443236.db2.gz DNCYQQZALLYPNY-DYVFJYSZSA-N -1 0 345.430 3.989 20 0 EHADRM O=C(N[C@H]1CC[C@@H](c2ccc(F)cc2)C1)c1cc(F)c([O-])c(F)c1 ZINC000436999585 1021471267 /nfs/dbraw/zinc/47/12/67/1021471267.db2.gz KAGUODJVBSHRSE-RISCZKNCSA-N -1 0 335.325 3.876 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)c(F)c1 ZINC000656852347 1021485365 /nfs/dbraw/zinc/48/53/65/1021485365.db2.gz ZDEMGZAYEVTEPL-WFASDCNBSA-N -1 0 327.302 3.678 20 0 EHADRM C[C@H]1CCCC[C@@H]1CC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000518761626 1021525407 /nfs/dbraw/zinc/52/54/07/1021525407.db2.gz SABVBWAFMTUWAV-NWDGAFQWSA-N -1 0 333.457 3.572 20 0 EHADRM Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)CCCO2 ZINC000509605589 1021550052 /nfs/dbraw/zinc/55/00/52/1021550052.db2.gz XECBMPJPNUUWRY-UHFFFAOYSA-N -1 0 337.828 3.774 20 0 EHADRM Cc1cc2cc([N-]S(=O)(=O)c3cnc4ccsc4c3)ccc2[nH]1 ZINC000439571973 1021564877 /nfs/dbraw/zinc/56/48/77/1021564877.db2.gz QAFDONBHPLUCNG-UHFFFAOYSA-N -1 0 343.433 3.887 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2nnc(C(C)C)s2)cc1 ZINC000437172588 1021610194 /nfs/dbraw/zinc/61/01/94/1021610194.db2.gz PIOHTFNIXZIZQU-LLVKDONJSA-N -1 0 339.486 3.976 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC000516663483 1021622371 /nfs/dbraw/zinc/62/23/71/1021622371.db2.gz QKBZGLJJIXHRRD-QFBILLFUSA-N -1 0 339.435 3.630 20 0 EHADRM CC(C)c1ccc(S(=O)(=O)[N-]c2nnc(C(C)(C)C)s2)cc1 ZINC000437181655 1021629013 /nfs/dbraw/zinc/62/90/13/1021629013.db2.gz GEABJWARFLQSEP-UHFFFAOYSA-N -1 0 339.486 3.760 20 0 EHADRM C[C@]1(Cc2ccccc2)CCCN1C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000516653732 1021631141 /nfs/dbraw/zinc/63/11/41/1021631141.db2.gz SKBGGEDKUHMGRA-QYGXFBIXSA-N -1 0 343.467 3.891 20 0 EHADRM Cc1ccc(-c2[n-][nH]c(=NC(=O)c3cc(-c4ccccc4)on3)c2C)o1 ZINC000440614606 1021654993 /nfs/dbraw/zinc/65/49/93/1021654993.db2.gz PFDFZVMIMJBJRJ-UHFFFAOYSA-N -1 0 348.362 3.616 20 0 EHADRM COc1ccc([C@H](CCC(=O)[O-])[NH2+]Cc2ccc(F)cc2F)cc1 ZINC000516701106 1021669535 /nfs/dbraw/zinc/66/95/35/1021669535.db2.gz RKGKNQOUFLUPCJ-KRWDZBQOSA-N -1 0 335.350 3.669 20 0 EHADRM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000646175577 1033000951 /nfs/dbraw/zinc/00/09/51/1033000951.db2.gz KLFAEYMXFMYCTB-MHORFTMASA-N -1 0 344.455 3.526 20 0 EHADRM O=C(CCCc1ccccc1)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000048634982 1021696276 /nfs/dbraw/zinc/69/62/76/1021696276.db2.gz QMUJFYBVZOSVOV-UHFFFAOYSA-N -1 0 339.363 3.633 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1NC(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000669499031 1032997947 /nfs/dbraw/zinc/99/79/47/1032997947.db2.gz SBVUUIFFNUQRNF-AWEZNQCLSA-N -1 0 342.395 3.972 20 0 EHADRM CC(C)c1cnc([N-]S(=O)(=O)c2cccc(Cl)c2F)s1 ZINC000437299015 1021712879 /nfs/dbraw/zinc/71/28/79/1021712879.db2.gz PJGJTZFZOXRXAD-UHFFFAOYSA-N -1 0 334.825 3.860 20 0 EHADRM O=C1c2ccccc2C[C@@H]1Sc1n[n-]c(=Nc2ccccc2)s1 ZINC000426496520 1021719726 /nfs/dbraw/zinc/71/97/26/1021719726.db2.gz ORCZYWKQTYVTSI-AWEZNQCLSA-N -1 0 339.445 3.603 20 0 EHADRM CC(C)(C)c1cnc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)s1 ZINC000437337480 1021744921 /nfs/dbraw/zinc/74/49/21/1021744921.db2.gz MCLLNAUHBKPNQS-UHFFFAOYSA-N -1 0 336.482 3.730 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c2n[nH]cc21 ZINC000519883142 1021746433 /nfs/dbraw/zinc/74/64/33/1021746433.db2.gz GNTSHODCEWXZDM-UHFFFAOYSA-N -1 0 329.425 3.796 20 0 EHADRM Cc1ccc2nc([N-]S(=O)(=O)c3cccc(F)c3C)sc2c1 ZINC000437404728 1021799232 /nfs/dbraw/zinc/79/92/32/1021799232.db2.gz NXPQHEOWMQLBNO-UHFFFAOYSA-N -1 0 336.413 3.853 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)N[C@H](CC(=O)[O-])C2CCCCC2)cc1 ZINC000439902666 1021801205 /nfs/dbraw/zinc/80/12/05/1021801205.db2.gz NGSWXEFFZCQFHJ-MAUKXSAKSA-N -1 0 331.456 3.713 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1ccc(C2CCC2)cc1 ZINC000439911259 1021807939 /nfs/dbraw/zinc/80/79/39/1021807939.db2.gz DAUNPGUXVQRXSJ-LJQANCHMSA-N -1 0 335.403 3.778 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1ccc(COC2CCCC2)cc1)C(=O)[O-] ZINC000516904835 1021826510 /nfs/dbraw/zinc/82/65/10/1021826510.db2.gz JRYYNAIUPCTSSR-GOSISDBHSA-N -1 0 334.416 3.521 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1 ZINC000439933353 1021840862 /nfs/dbraw/zinc/84/08/62/1021840862.db2.gz NRSNCFTWRCUZAP-UHFFFAOYSA-N -1 0 342.782 3.940 20 0 EHADRM C[C@H]1CO[C@H](c2ccccc2Cl)CN1Cc1ccoc1C(=O)[O-] ZINC000516932621 1021866119 /nfs/dbraw/zinc/86/61/19/1021866119.db2.gz WSQVVRTVWPATCB-NHYWBVRUSA-N -1 0 335.787 3.593 20 0 EHADRM CC(C)(C)Oc1ccccc1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000669499580 1033012002 /nfs/dbraw/zinc/01/20/02/1033012002.db2.gz YJKNQRSXKDWNQL-UHFFFAOYSA-N -1 0 342.395 3.884 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)N=c1[n-]nc(C2CC2)s1)C(C)C ZINC000581842909 1021874573 /nfs/dbraw/zinc/87/45/73/1021874573.db2.gz SUNUADABEQXUIA-AWEZNQCLSA-N -1 0 330.457 3.665 20 0 EHADRM O=C(c1cccc(Br)c1[O-])N1CCC[C@@H]1c1ccccn1 ZINC000519333062 1022017572 /nfs/dbraw/zinc/01/75/72/1022017572.db2.gz XMROSKDGYAEGPL-CQSZACIVSA-N -1 0 347.212 3.527 20 0 EHADRM C=Cc1ccc(S(=O)(=O)[N-]c2cc(C)n([C@H](C)C3CC3)n2)cc1 ZINC000519347405 1022027873 /nfs/dbraw/zinc/02/78/73/1022027873.db2.gz NOFTWGXLULTGEN-CYBMUJFWSA-N -1 0 331.441 3.606 20 0 EHADRM CC(C)c1ccc([N-]S(=O)(=O)c2cnc3n2CCC3)c(C(C)C)c1 ZINC000437670777 1022042186 /nfs/dbraw/zinc/04/21/86/1022042186.db2.gz FANFOJDYWOVGEC-UHFFFAOYSA-N -1 0 347.484 3.877 20 0 EHADRM O=S(=O)([N-]c1ccsc1Cl)c1ccc(Br)o1 ZINC000437673585 1022044574 /nfs/dbraw/zinc/04/45/74/1022044574.db2.gz ZHRXQZVHUUCZQL-UHFFFAOYSA-N -1 0 342.623 3.558 20 0 EHADRM Cc1cccc(Oc2ncccc2[N-]S(=O)(=O)c2ccco2)c1C ZINC000437686196 1022054393 /nfs/dbraw/zinc/05/43/93/1022054393.db2.gz LFHPTURLAMUZEK-UHFFFAOYSA-N -1 0 344.392 3.885 20 0 EHADRM C[C@@H](CNC(=O)c1ccc([O-])c(Cl)c1)Oc1cccc(Cl)c1 ZINC000440274312 1022059869 /nfs/dbraw/zinc/05/98/69/1022059869.db2.gz QCVUVBJMWKFTRG-JTQLQIEISA-N -1 0 340.206 3.896 20 0 EHADRM Cc1ccc(C2CC2)c(C(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)c1 ZINC000519406221 1022070358 /nfs/dbraw/zinc/07/03/58/1022070358.db2.gz NXWDCNBVMSPQPA-JOCHJYFZSA-N -1 0 349.430 3.741 20 0 EHADRM CC[C@H](NC(=O)N=c1[n-]nc(C(C)(C)C)s1)c1ccc(OC)cc1 ZINC000340653258 1022148808 /nfs/dbraw/zinc/14/88/08/1022148808.db2.gz GDXFGDNZTSUHNN-ZDUSSCGKSA-N -1 0 348.472 3.539 20 0 EHADRM Cc1cccc(COc2ccc(CN=c3[n-]nc(C4CC4)o3)cc2)c1 ZINC000341538839 1022170045 /nfs/dbraw/zinc/17/00/45/1022170045.db2.gz XGBHOCGDELEPEW-UHFFFAOYSA-N -1 0 335.407 3.868 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N=c2[n-]nc(C(C)(C)C)s2)cc1 ZINC000425916463 1022184196 /nfs/dbraw/zinc/18/41/96/1022184196.db2.gz IREOITIJQGYVTO-NSHDSACASA-N -1 0 333.457 3.687 20 0 EHADRM CC[C@@H](C)[C@H]1CCCCN1C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000550323511 1022199249 /nfs/dbraw/zinc/19/92/49/1022199249.db2.gz FCGIHEWJTCGQJA-CZUORRHYSA-N -1 0 345.418 3.758 20 0 EHADRM CO[C@@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CC[C@H]1C ZINC000187696671 1022216710 /nfs/dbraw/zinc/21/67/10/1022216710.db2.gz DCGUXLZDRSGWQL-BDJLRTHQSA-N -1 0 333.815 3.696 20 0 EHADRM Cc1ccccc1-c1nsc([N-]c2cnn3c2NC[C@H](C)C3)n1 ZINC000894946786 1022270844 /nfs/dbraw/zinc/27/08/44/1022270844.db2.gz BYIHXYPEHHLNOP-JTQLQIEISA-N -1 0 326.429 3.515 20 0 EHADRM CC[C@H](c1n[n-]c(=NC(=O)N2CCC(C)(C)C2)s1)c1ccccc1 ZINC000438008713 1022310083 /nfs/dbraw/zinc/31/00/83/1022310083.db2.gz FCFQIFVKJYLGAG-AWEZNQCLSA-N -1 0 344.484 3.766 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1csc(-c2ccoc2)n1)C1CCCCC1 ZINC000345980510 1022458582 /nfs/dbraw/zinc/45/85/82/1022458582.db2.gz NMJRTDWAYKPMJR-CYBMUJFWSA-N -1 0 348.424 3.557 20 0 EHADRM O=C(N=c1nc(-c2ccccc2)[n-]s1)C1(C(F)(F)F)CCCC1 ZINC000414925237 1022469673 /nfs/dbraw/zinc/46/96/73/1022469673.db2.gz IEFXGODBVKKKSL-UHFFFAOYSA-N -1 0 341.358 3.688 20 0 EHADRM CC1=C[C@@H](C)CN(C(=O)c2cc(Cl)cc(Br)c2[O-])C1 ZINC000438328113 1022554205 /nfs/dbraw/zinc/55/42/05/1022554205.db2.gz YZJKVCKKUAZXAX-MRVPVSSYSA-N -1 0 344.636 3.846 20 0 EHADRM CC1=C[C@H](C)CN(C(=O)c2cc(Cl)cc(Br)c2[O-])C1 ZINC000438328114 1022555142 /nfs/dbraw/zinc/55/51/42/1022555142.db2.gz YZJKVCKKUAZXAX-QMMMGPOBSA-N -1 0 344.636 3.846 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)cc1C ZINC000303857969 1022592238 /nfs/dbraw/zinc/59/22/38/1022592238.db2.gz PCVNGJQQZFBMSD-UHFFFAOYSA-N -1 0 331.437 3.893 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1OC(C)C ZINC000669505057 1033062442 /nfs/dbraw/zinc/06/24/42/1033062442.db2.gz VDRFDPHJYUYXBC-AWEZNQCLSA-N -1 0 334.416 3.501 20 0 EHADRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c1C ZINC000331105091 1022746133 /nfs/dbraw/zinc/74/61/33/1022746133.db2.gz QJOIVKJRBDDSKC-LBPRGKRZSA-N -1 0 339.436 3.719 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)C[C@H]1CCc2ccccc2C1 ZINC000262090756 1022823716 /nfs/dbraw/zinc/82/37/16/1022823716.db2.gz CNDPNGUSIDPUSZ-INIZCTEOSA-N -1 0 331.456 3.723 20 0 EHADRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1sc2cccc(C)c2c1Cl ZINC000785082648 1022856665 /nfs/dbraw/zinc/85/66/65/1022856665.db2.gz BPZPTUMGSFWQFF-SECBINFHSA-N -1 0 345.873 3.721 20 0 EHADRM CC(C)(C)c1ccc(NS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000391826781 1022895229 /nfs/dbraw/zinc/89/52/29/1022895229.db2.gz OVFRDFJSHIWNLF-UHFFFAOYSA-N -1 0 347.436 3.624 20 0 EHADRM O=C([O-])c1coc(CNCc2cc(Cl)ccc2Br)c1 ZINC000426687826 1022962221 /nfs/dbraw/zinc/96/22/21/1022962221.db2.gz MJZHBDZMOPICBL-UHFFFAOYSA-N -1 0 344.592 3.684 20 0 EHADRM Cc1ccc(-c2ncc(CN[C@@H](C(=O)[O-])c3ccc(C)cc3)s2)o1 ZINC000426703753 1022974783 /nfs/dbraw/zinc/97/47/83/1022974783.db2.gz HQGBAPYITLOMMM-MRXNPFEDSA-N -1 0 342.420 3.935 20 0 EHADRM Cc1ccc(C(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)c(O)c1 ZINC000518084319 1022990442 /nfs/dbraw/zinc/99/04/42/1022990442.db2.gz DZRLMDOWJJCMAZ-GJZGRUSLSA-N -1 0 346.224 3.749 20 0 EHADRM Cc1nc(CNCc2nc(-c3ccccc3)cs2)sc1C(=O)[O-] ZINC000426706797 1022992184 /nfs/dbraw/zinc/99/21/84/1022992184.db2.gz XCKYAOIBETXOSI-UHFFFAOYSA-N -1 0 345.449 3.563 20 0 EHADRM Cc1cc(Br)c(S(=O)(=O)[N-]c2ccsc2)s1 ZINC000438782091 1022998176 /nfs/dbraw/zinc/99/81/76/1022998176.db2.gz XJNFJYOXJYGLHT-UHFFFAOYSA-N -1 0 338.273 3.681 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)nn1C ZINC000161526936 1023002425 /nfs/dbraw/zinc/00/24/25/1023002425.db2.gz KWWPDHNDCXJPIB-UHFFFAOYSA-N -1 0 333.457 3.577 20 0 EHADRM CCSc1cccc(CN[C@H](C(=O)[O-])c2c(F)cccc2F)c1 ZINC000426739256 1023009144 /nfs/dbraw/zinc/00/91/44/1023009144.db2.gz AYIBPKCEPPVUEH-INIZCTEOSA-N -1 0 337.391 3.992 20 0 EHADRM Cc1cc(C)cc([C@H](NCc2nc3c(s2)C[C@@H](C)CC3)C(=O)[O-])c1 ZINC000426753189 1023023208 /nfs/dbraw/zinc/02/32/08/1023023208.db2.gz CIOIHPPSWFAOFN-VOJFVSQTSA-N -1 0 344.480 3.800 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])[NH2+]Cc2ccc(Cl)cc2F)c1 ZINC000426768973 1023032544 /nfs/dbraw/zinc/03/25/44/1023032544.db2.gz DWGMLOUXYALENB-INIZCTEOSA-N -1 0 337.778 3.793 20 0 EHADRM Cc1ccc(-c2ncc(CN[C@H](C(=O)[O-])c3cccs3)s2)o1 ZINC000426784285 1023043299 /nfs/dbraw/zinc/04/32/99/1023043299.db2.gz MEGDPWDYAOHDEK-ZDUSSCGKSA-N -1 0 334.422 3.689 20 0 EHADRM O=C([O-])[C@@H](NCc1cc(Br)ccc1F)c1cccs1 ZINC000426786393 1023048131 /nfs/dbraw/zinc/04/81/31/1023048131.db2.gz VFEOGPQCVNBVRT-LBPRGKRZSA-N -1 0 344.205 3.565 20 0 EHADRM CCC[C@H](C(=O)[O-])[S@@](=O)[C@@H](C)c1cccc(Br)c1 ZINC000562978528 1023050405 /nfs/dbraw/zinc/05/04/05/1023050405.db2.gz ULJHDGCSHVQDLY-QSOSSPEWSA-N -1 0 333.247 3.512 20 0 EHADRM O=C([O-])[C@H](NCc1cnc(-c2cccs2)s1)c1ccccc1 ZINC000426804163 1023056849 /nfs/dbraw/zinc/05/68/49/1023056849.db2.gz SIGFTXSAZYJGPE-CQSZACIVSA-N -1 0 330.434 3.787 20 0 EHADRM O=C([O-])C[C@H](NCc1cc(F)ccc1F)c1ccc(F)cc1F ZINC000426823237 1023067750 /nfs/dbraw/zinc/06/77/50/1023067750.db2.gz BJNIBJPBVHFVBL-HNNXBMFYSA-N -1 0 327.277 3.549 20 0 EHADRM CCCOc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)no2)cc1 ZINC000426195864 1023072512 /nfs/dbraw/zinc/07/25/12/1023072512.db2.gz IHAZCLQFLXBYKU-UHFFFAOYSA-N -1 0 338.429 3.562 20 0 EHADRM CSc1ccccc1[N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1 ZINC000430979193 1023076602 /nfs/dbraw/zinc/07/66/02/1023076602.db2.gz NORWJGYLPBHHIA-UHFFFAOYSA-N -1 0 340.470 3.636 20 0 EHADRM Cc1cc2cccnc2c([N-]S(=O)(=O)c2ccc(F)c(C)c2)c1 ZINC000507020564 1023080098 /nfs/dbraw/zinc/08/00/98/1023080098.db2.gz JWPNNXLOJUXKAI-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)cn1 ZINC000430982342 1023084626 /nfs/dbraw/zinc/08/46/26/1023084626.db2.gz PXVHWUQJDQTSTM-UHFFFAOYSA-N -1 0 338.432 3.782 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2cnc3ccccc3c2)c1 ZINC000430984244 1023086820 /nfs/dbraw/zinc/08/68/20/1023086820.db2.gz LNWZLMHRMRJBSD-UHFFFAOYSA-N -1 0 330.434 3.758 20 0 EHADRM CO[C@H](CNC(=O)c1cccc(Cl)c1[O-])c1ccc(Cl)cc1 ZINC001126462830 1023098279 /nfs/dbraw/zinc/09/82/79/1023098279.db2.gz ZQRDIIBNODHFHQ-CQSZACIVSA-N -1 0 340.206 3.817 20 0 EHADRM O=c1cc(CNc2c3ncsc3ccc2Cl)nc(C2CC2)[nH]1 ZINC000519590130 1023141437 /nfs/dbraw/zinc/14/14/37/1023141437.db2.gz XSPRMBZDKFAXCX-UHFFFAOYSA-N -1 0 332.816 3.935 20 0 EHADRM C[C@@H](C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-])c1cc2ccccc2o1 ZINC000346018808 1023150563 /nfs/dbraw/zinc/15/05/63/1023150563.db2.gz BTRMGMCHUBPLKR-BFUOFWGJSA-N -1 0 349.386 3.747 20 0 EHADRM CCOc1cc(/C=C/c2cc(C(=O)[O-])ncn2)ccc1OCC(C)C ZINC000536387230 1023164635 /nfs/dbraw/zinc/16/46/35/1023164635.db2.gz PXGPRVJXLJUTSK-FNORWQNLSA-N -1 0 342.395 3.779 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@H]2CC[C@H](c3ccccc3F)C2)s1 ZINC000431065372 1023187726 /nfs/dbraw/zinc/18/77/26/1023187726.db2.gz IRGIJUMITULQGJ-RYUDHWBXSA-N -1 0 348.447 3.509 20 0 EHADRM O=S(=O)([N-]c1noc2ccccc21)c1cccc(Cl)c1Cl ZINC000438986836 1023192820 /nfs/dbraw/zinc/19/28/20/1023192820.db2.gz RZYMEWWCVDKCLY-UHFFFAOYSA-N -1 0 343.191 3.935 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)n1 ZINC000438989101 1023194031 /nfs/dbraw/zinc/19/40/31/1023194031.db2.gz DXMZOTCVZVIXSQ-GOEBONIOSA-N -1 0 341.455 3.791 20 0 EHADRM CCC[C@](C)(NC(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)C(=O)[O-] ZINC000346022185 1023207309 /nfs/dbraw/zinc/20/73/09/1023207309.db2.gz XYZKODFIBYXMNY-HNNXBMFYSA-N -1 0 343.210 3.848 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)[C@H](C)C(C)C)n2)cc1 ZINC000439054573 1023244698 /nfs/dbraw/zinc/24/46/98/1023244698.db2.gz FYXUNZHTRBKWSU-CQSZACIVSA-N -1 0 329.444 3.818 20 0 EHADRM CCSCc1ccnc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000341780532 1023309133 /nfs/dbraw/zinc/30/91/33/1023309133.db2.gz UWMOYRNFWDALML-UHFFFAOYSA-N -1 0 348.493 3.624 20 0 EHADRM CCOc1cccc(S(=O)(=O)[N-]c2nc3c(cccc3C)s2)c1 ZINC000410342025 1023318339 /nfs/dbraw/zinc/31/83/39/1023318339.db2.gz ZFYGPYPLGZRUNW-UHFFFAOYSA-N -1 0 348.449 3.804 20 0 EHADRM COc1ccc2c(c1[N-]S(=O)(=O)c1sc(C)cc1C)CCC2 ZINC000431148879 1023335247 /nfs/dbraw/zinc/33/52/47/1023335247.db2.gz JBLFXGWPRPDBRM-UHFFFAOYSA-N -1 0 337.466 3.663 20 0 EHADRM CCCc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)cc1 ZINC000063234900 1033125566 /nfs/dbraw/zinc/12/55/66/1033125566.db2.gz HAZHTCBDFZWGFT-UHFFFAOYSA-N -1 0 335.400 3.613 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)s1 ZINC000431154025 1023355799 /nfs/dbraw/zinc/35/57/99/1023355799.db2.gz SYKUQKVXPMUBGF-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM CCc1ccc([C@H](C)C(=O)Nc2ccc(C(=O)[O-])c(OC)c2)cc1 ZINC000455863516 1033130088 /nfs/dbraw/zinc/13/00/88/1033130088.db2.gz PTGVDCHDDJXYNJ-LBPRGKRZSA-N -1 0 327.380 3.698 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2C)o1 ZINC000471962565 1023446602 /nfs/dbraw/zinc/44/66/02/1023446602.db2.gz DTQHHLNJCRBOKK-UHFFFAOYSA-N -1 0 348.193 3.599 20 0 EHADRM O=C(N[C@H](c1cccs1)C1CC1)c1nn(-c2ccccc2)cc1[O-] ZINC000341858421 1023475920 /nfs/dbraw/zinc/47/59/20/1023475920.db2.gz HAAFKJZCGJPTOU-INIZCTEOSA-N -1 0 339.420 3.521 20 0 EHADRM COCc1ccccc1S(=O)(=O)[N-]c1c(C)cccc1SC ZINC000471971738 1023499039 /nfs/dbraw/zinc/49/90/39/1023499039.db2.gz WYSVAJRGMXMPON-UHFFFAOYSA-N -1 0 337.466 3.664 20 0 EHADRM COc1cc(C[NH2+][C@@H](CC(=O)[O-])c2ccsc2)ccc1OC(C)C ZINC000276973136 1023511883 /nfs/dbraw/zinc/51/18/83/1023511883.db2.gz HFISQIYUWKPMMC-HNNXBMFYSA-N -1 0 349.452 3.850 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)CC1 ZINC000431209013 1023524733 /nfs/dbraw/zinc/52/47/33/1023524733.db2.gz CQMTZBZHVILTEH-QRTARXTBSA-N -1 0 335.419 3.920 20 0 EHADRM O=C([O-])CCCNC(=O)c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000431217080 1023530775 /nfs/dbraw/zinc/53/07/75/1023530775.db2.gz HSCQKEVCAKPXOG-UHFFFAOYSA-N -1 0 339.800 3.679 20 0 EHADRM C[C@@H](C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1cnn(C)c1 ZINC000535732416 1023596852 /nfs/dbraw/zinc/59/68/52/1023596852.db2.gz YPBJIYTUVZJCNZ-ZCFIWIBFSA-N -1 0 348.617 3.828 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)c1ccc(C(F)(F)F)cc1Cl ZINC000341931147 1023705227 /nfs/dbraw/zinc/70/52/27/1023705227.db2.gz QUAJQAPQPQFISK-UHFFFAOYSA-N -1 0 341.720 3.700 20 0 EHADRM COc1ccc(C(C)(C)C(=O)NCC2(CC(=O)[O-])CCCCC2)cc1 ZINC000537474723 1033165631 /nfs/dbraw/zinc/16/56/31/1033165631.db2.gz SIKIZPVCOUXCNG-UHFFFAOYSA-N -1 0 347.455 3.514 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N[C@@H]2CC(C)(C)c3ccccc32)s1 ZINC000431558480 1033172141 /nfs/dbraw/zinc/17/21/41/1033172141.db2.gz PXRAYOPXAGJSID-GFCCVEGCSA-N -1 0 348.497 3.616 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000909505709 1023965428 /nfs/dbraw/zinc/96/54/28/1023965428.db2.gz ZOIWVEOYGGORNF-YGNAEDSMSA-N -1 0 344.436 3.739 20 0 EHADRM O=S(=O)([N-]c1cccc2ccsc21)c1cc(F)cc(F)c1 ZINC000443472586 1024018956 /nfs/dbraw/zinc/01/89/56/1024018956.db2.gz CIFMCOMWULVJIC-UHFFFAOYSA-N -1 0 325.361 3.980 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CC(C)(C)c1ccccc1 ZINC000237271336 1024035796 /nfs/dbraw/zinc/03/57/96/1024035796.db2.gz RNBHFEKLIUKMFZ-UHFFFAOYSA-N -1 0 325.408 3.711 20 0 EHADRM C[C@H](CC(=O)N=c1nc(-c2ccccc2)[n-]s1)c1cccc(F)c1 ZINC000522537948 1024047807 /nfs/dbraw/zinc/04/78/07/1024047807.db2.gz NVYVUOBICREAFC-GFCCVEGCSA-N -1 0 341.411 3.898 20 0 EHADRM C[C@H](CNC(=O)c1cc(C2CC2)nc2ccc(Cl)cc21)CC(=O)[O-] ZINC000191225201 1024049594 /nfs/dbraw/zinc/04/95/94/1024049594.db2.gz RMAJJRXDURRMTD-JTQLQIEISA-N -1 0 346.814 3.606 20 0 EHADRM Cc1cc(C(=O)N(Cc2ccccc2)[C@@H](C)C(=O)[O-])c(C)n1C1CC1 ZINC000455866002 1033184321 /nfs/dbraw/zinc/18/43/21/1033184321.db2.gz AFKXKSQSHADJEX-HNNXBMFYSA-N -1 0 340.423 3.555 20 0 EHADRM Cc1ccc(SCC(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1 ZINC000191400734 1024085747 /nfs/dbraw/zinc/08/57/47/1024085747.db2.gz LPJABQLXIVTPST-AWEZNQCLSA-N -1 0 343.448 3.989 20 0 EHADRM Cc1cccc(-c2ccc(S(=O)(=O)CCCC(=O)[O-])cc2)c1C ZINC000657205025 1024086622 /nfs/dbraw/zinc/08/66/22/1024086622.db2.gz RDLYFURLUKQRGU-UHFFFAOYSA-N -1 0 332.421 3.609 20 0 EHADRM C[C@@H](Sc1ccc(-c2cc(C(F)(F)F)nn2C)cc1)C(=O)[O-] ZINC000657205812 1024094916 /nfs/dbraw/zinc/09/49/16/1024094916.db2.gz LVBOPUDNIWJOLI-MRVPVSSYSA-N -1 0 330.331 3.671 20 0 EHADRM O=C([O-])Cc1ccc(-c2cc(F)ccc2OC[C@H]2CCCO2)cc1F ZINC000657204582 1024096920 /nfs/dbraw/zinc/09/69/20/1024096920.db2.gz OBFFVVDDDHUKRV-OAHLLOKOSA-N -1 0 348.345 3.817 20 0 EHADRM COc1cccc([C@H](C)C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC000191423573 1024100080 /nfs/dbraw/zinc/10/00/80/1024100080.db2.gz RYNHVBIDFONMQJ-KBPBESRZSA-N -1 0 341.407 3.701 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)N3[C@@H]4CCCC[C@@H]4C[C@H]3C(=O)[O-])cc2C1 ZINC000323923499 1024102152 /nfs/dbraw/zinc/10/21/52/1024102152.db2.gz WCCJQWXTZYGVIA-GBOPCIDUSA-N -1 0 347.480 3.731 20 0 EHADRM COCCCOc1ccc(-c2ccc(F)cc2CCC(=O)[O-])cc1 ZINC000657207145 1024113419 /nfs/dbraw/zinc/11/34/19/1024113419.db2.gz IYVQXCKEARXORX-UHFFFAOYSA-N -1 0 332.371 3.925 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)NCc1ccc(F)cc1F)C1CCCCC1 ZINC000522623541 1024124985 /nfs/dbraw/zinc/12/49/85/1024124985.db2.gz WAIAZDFTEGVCAO-SFHVURJKSA-N -1 0 339.382 3.642 20 0 EHADRM COc1ccc(CO)c(-c2ccc(SCCCC(=O)[O-])cc2)c1 ZINC000657208153 1024130629 /nfs/dbraw/zinc/13/06/29/1024130629.db2.gz SRPGVWRZFWCWFI-UHFFFAOYSA-N -1 0 332.421 3.811 20 0 EHADRM CC[C@@]1(C)Oc2ccc(NC(=O)c3cccc(OC)c3O)cc2O1 ZINC000443555183 1024143675 /nfs/dbraw/zinc/14/36/75/1024143675.db2.gz CMAHREOZLJZGDD-SFHVURJKSA-N -1 0 329.352 3.551 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2c(C)ccc3cccnc32)cc1 ZINC000349779035 1024149374 /nfs/dbraw/zinc/14/93/74/1024149374.db2.gz SMLDSEARSIIVQI-UHFFFAOYSA-N -1 0 340.404 3.547 20 0 EHADRM CCc1onc(C)c1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000134753846 1024152699 /nfs/dbraw/zinc/15/26/99/1024152699.db2.gz YGMDYWVOWGNXDH-UHFFFAOYSA-N -1 0 341.241 3.715 20 0 EHADRM C[C@H]1CCCN(Cc2coc(-c3ccc(Cl)cc3)n2)[C@@H]1C(=O)[O-] ZINC000324075945 1024178438 /nfs/dbraw/zinc/17/84/38/1024178438.db2.gz GHNRXEVGHQRRQJ-NHYWBVRUSA-N -1 0 334.803 3.680 20 0 EHADRM CC(C)=CCSC[C@H]([NH2+]Cc1c(F)cccc1Cl)C(=O)[O-] ZINC000417625457 1024187579 /nfs/dbraw/zinc/18/75/79/1024187579.db2.gz MGTRGLXUXPMEAZ-AWEZNQCLSA-N -1 0 331.840 3.721 20 0 EHADRM Cc1c(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cnn1CCC(C)C ZINC000909513047 1024236537 /nfs/dbraw/zinc/23/65/37/1024236537.db2.gz MVPYKMVUSITCBZ-UHFFFAOYSA-N -1 0 343.427 3.805 20 0 EHADRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(SC)cc1 ZINC000434637433 1024244141 /nfs/dbraw/zinc/24/41/41/1024244141.db2.gz NAIASBMNWSSYTK-UHFFFAOYSA-N -1 0 337.466 3.835 20 0 EHADRM O=C([O-])c1cc(F)c(F)cc1C(=O)N1CCC[C@H]1c1cccs1 ZINC000321491382 1024269314 /nfs/dbraw/zinc/26/93/14/1024269314.db2.gz KJXPPYTUEPPXOA-ZDUSSCGKSA-N -1 0 337.347 3.702 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cncc3ccccc32)ccc1Cl ZINC000614630995 1024300139 /nfs/dbraw/zinc/30/01/39/1024300139.db2.gz VKQDLLUNUKEHKH-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM COC(=O)c1sc2ncccc2c1Nc1cc(C)cc(C(=O)[O-])c1 ZINC001211535286 1024336934 /nfs/dbraw/zinc/33/69/34/1024336934.db2.gz XTHFOCQWPOSTKF-UHFFFAOYSA-N -1 0 342.376 3.833 20 0 EHADRM Cc1nc([C@@H](C)Sc2n[n-]c(=Nc3cccc(C)c3C)s2)no1 ZINC000430104635 1024352327 /nfs/dbraw/zinc/35/23/27/1024352327.db2.gz RYBHWNCKLQNJKA-SNVBAGLBSA-N -1 0 347.469 3.865 20 0 EHADRM CC(C)(C)c1ncc(CN[C@H](C(=O)[O-])c2c(F)cccc2F)s1 ZINC000277258251 1024363442 /nfs/dbraw/zinc/36/34/42/1024363442.db2.gz KMNPAGMLWDDPTG-ZDUSSCGKSA-N -1 0 340.395 3.634 20 0 EHADRM CCC[C@H]1C[C@H](C(=O)Nc2cc(Br)ccc2O)CCO1 ZINC000184134169 1024372340 /nfs/dbraw/zinc/37/23/40/1024372340.db2.gz PMKIKMPBBOAEDZ-PWSUYJOCSA-N -1 0 342.233 3.689 20 0 EHADRM O=S(=O)(NCCc1ccccc1)c1cccc(Cl)c1Cl ZINC000007308334 1024392142 /nfs/dbraw/zinc/39/21/42/1024392142.db2.gz RHEHSBSDBFDFNG-UHFFFAOYSA-N -1 0 330.236 3.514 20 0 EHADRM Cc1cc2occ(CC(=O)NC[C@@H](C)CC(=O)[O-])c2cc1C(C)C ZINC000262225583 1024406729 /nfs/dbraw/zinc/40/67/29/1024406729.db2.gz NMKOPWQLLLQJEZ-LBPRGKRZSA-N -1 0 331.412 3.634 20 0 EHADRM O=C(NCCC[C@H]1CCCCO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000184344635 1024413668 /nfs/dbraw/zinc/41/36/68/1024413668.db2.gz GTSHNFHBIXCGGC-SNVBAGLBSA-N -1 0 332.227 3.778 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1cccc(Cl)c1N(C)C ZINC000607614037 1033218132 /nfs/dbraw/zinc/21/81/32/1033218132.db2.gz GXAHHVXQKYHDEE-UHFFFAOYSA-N -1 0 330.862 3.577 20 0 EHADRM Cc1ccc(C2CC2)c(C(=O)Nc2ccc(OCC(=O)[O-])cc2C)c1 ZINC000425241346 1024485087 /nfs/dbraw/zinc/48/50/87/1024485087.db2.gz MZXGVINYSLJTDU-UHFFFAOYSA-N -1 0 339.391 3.897 20 0 EHADRM CC(C)Oc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)c(F)c1 ZINC000052025616 1024486675 /nfs/dbraw/zinc/48/66/75/1024486675.db2.gz PMIUVRJSCWECSF-UHFFFAOYSA-N -1 0 345.342 3.692 20 0 EHADRM C[C@H]1CCCC[C@H]1C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000425251877 1024509387 /nfs/dbraw/zinc/50/93/87/1024509387.db2.gz YIPUVMZPTWMBHZ-GXTWGEPZSA-N -1 0 339.382 3.594 20 0 EHADRM O=C([O-])c1ccc([C@H](NC(=O)[C@@H]2CCC[C@H](F)C2)C(F)(F)F)cc1 ZINC000425251866 1024509496 /nfs/dbraw/zinc/50/94/96/1024509496.db2.gz HUMOMUMOOJUTFW-AGIUHOORSA-N -1 0 347.308 3.633 20 0 EHADRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cccs2)c1C1CC1 ZINC000536489934 1024547920 /nfs/dbraw/zinc/54/79/20/1024547920.db2.gz CFCPPEOWUCWXBD-SNVBAGLBSA-N -1 0 325.459 3.594 20 0 EHADRM CCc1cc(=O)[nH]c(SCc2cccc(C(=O)C(F)(F)F)c2)n1 ZINC000840206955 1024557612 /nfs/dbraw/zinc/55/76/12/1024557612.db2.gz PTFAUIMBZTVAHW-UHFFFAOYSA-N -1 0 342.342 3.782 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)c2nc(C(C)C)oc2C)s[n-]1 ZINC000505608060 1024620736 /nfs/dbraw/zinc/62/07/36/1024620736.db2.gz IZWFPRRJIPWEOS-UHFFFAOYSA-N -1 0 348.453 3.669 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(C3CC3)ccn2)c(Cl)cc1F ZINC000514639240 1024626850 /nfs/dbraw/zinc/62/68/50/1024626850.db2.gz WFOCQMKVLUPDLM-UHFFFAOYSA-N -1 0 340.807 3.861 20 0 EHADRM CC(C)Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)ncn3C)cc1 ZINC000435181304 1024683406 /nfs/dbraw/zinc/68/34/06/1024683406.db2.gz LSUVQLDMAYTJGL-UHFFFAOYSA-N -1 0 343.452 3.573 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)Nc1ccc(COC2CCCC2)cc1)C(=O)[O-] ZINC000514723435 1024696102 /nfs/dbraw/zinc/69/61/02/1024696102.db2.gz OFNATWRWMMPPRU-CXAGYDPISA-N -1 0 348.443 3.767 20 0 EHADRM COc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)c(C)c1 ZINC000014223732 1024711981 /nfs/dbraw/zinc/71/19/81/1024711981.db2.gz XSRAZHUIESNSQK-UHFFFAOYSA-N -1 0 327.405 3.958 20 0 EHADRM C[C@@H](CC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)C1CCCCC1 ZINC000427668343 1024715422 /nfs/dbraw/zinc/71/54/22/1024715422.db2.gz MDXUJDXTOVNBNR-ZYSHUDEJSA-N -1 0 343.467 3.920 20 0 EHADRM COCc1cc(NC(=O)c2ccc(Cl)cc2C)cc(C(=O)[O-])c1 ZINC000427679821 1024729656 /nfs/dbraw/zinc/72/96/56/1024729656.db2.gz UUAVUEVYAVNCBR-UHFFFAOYSA-N -1 0 333.771 3.745 20 0 EHADRM COCc1cc(NC(=O)CC/C=C\c2ccccc2)cc(C(=O)[O-])c1 ZINC000427700188 1024741787 /nfs/dbraw/zinc/74/17/87/1024741787.db2.gz YRADBFFUMIVWPY-UITAMQMPSA-N -1 0 339.391 3.963 20 0 EHADRM Clc1ccc(CN=c2[n-]ncn2Cc2ccccc2)c(Cl)c1 ZINC000548616872 1024763209 /nfs/dbraw/zinc/76/32/09/1024763209.db2.gz CLZIBFIDZKHOSR-UHFFFAOYSA-N -1 0 333.222 3.667 20 0 EHADRM Cc1cccc(S([O-])=CC(=O)N[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000108103154 1024763598 /nfs/dbraw/zinc/76/35/98/1024763598.db2.gz HJZSVJDYVSCKCH-WHEQGISXSA-N -1 0 335.856 3.633 20 0 EHADRM Cc1cccc(S([O-])=CC(=O)N[C@H](C)c2ccccc2Cl)c1 ZINC000108103174 1024763928 /nfs/dbraw/zinc/76/39/28/1024763928.db2.gz PSCRYYKKOCPNEJ-MCMMXHMISA-N -1 0 335.856 3.633 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1noc2ccc(Cl)cc21 ZINC000427755815 1024776963 /nfs/dbraw/zinc/77/69/63/1024776963.db2.gz FVYLLIOOPYHXSV-UHFFFAOYSA-N -1 0 328.802 3.652 20 0 EHADRM O=C([O-])[C@@H]1CCCCCN1C(=O)NCc1ccc(Cl)cc1Cl ZINC000684711225 1024863956 /nfs/dbraw/zinc/86/39/56/1024863956.db2.gz QVSTYTQJAYFMLF-ZDUSSCGKSA-N -1 0 345.226 3.532 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)N[C@H](C)c1cc2ccccc2o1)C1CC1 ZINC000684712534 1024882641 /nfs/dbraw/zinc/88/26/41/1024882641.db2.gz BHYUYGIQJAHOOI-BXUZGUMPSA-N -1 0 330.384 3.531 20 0 EHADRM Cc1cnc(C(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)c([O-])c1 ZINC000428024872 1024945970 /nfs/dbraw/zinc/94/59/70/1024945970.db2.gz PXHRFSCRKAVHIC-UHFFFAOYSA-N -1 0 346.346 3.551 20 0 EHADRM CC(C)CN=c1[n-]nc(SCc2ncccc2C(F)(F)F)s1 ZINC000428066144 1024966027 /nfs/dbraw/zinc/96/60/27/1024966027.db2.gz IHXQVIZORKZTSU-UHFFFAOYSA-N -1 0 348.419 3.734 20 0 EHADRM CN(CCC(=O)[O-])C(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1 ZINC000428068109 1024968377 /nfs/dbraw/zinc/96/83/77/1024968377.db2.gz AQWHNTOMJDJWDW-QGZVFWFLSA-N -1 0 347.411 3.592 20 0 EHADRM Cc1ccccc1[C@H]1CCN(C(=O)N=c2[n-]nc(C(C)(C)C)s2)C1 ZINC000508260895 1024992854 /nfs/dbraw/zinc/99/28/54/1024992854.db2.gz UZBCQWDNJAKIQE-ZDUSSCGKSA-N -1 0 344.484 3.587 20 0 EHADRM CCc1n[n-]c(=NC(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)s1 ZINC000515106006 1025023899 /nfs/dbraw/zinc/02/38/99/1025023899.db2.gz DQJGPZARIKWZQL-ZDUSSCGKSA-N -1 0 338.864 3.695 20 0 EHADRM CCOc1cc(C(=O)NC[C@H]2CCCC(F)(F)C2)cc(Cl)c1O ZINC000505709683 1025044544 /nfs/dbraw/zinc/04/45/44/1025044544.db2.gz UIRCJTUDTUWCGA-JTQLQIEISA-N -1 0 347.789 4.000 20 0 EHADRM CSc1ccc2[nH]c(-c3ccc(OCCC(=O)[O-])cc3)nc2c1 ZINC000435685955 1025069319 /nfs/dbraw/zinc/06/93/19/1025069319.db2.gz PZSJWKNQESGNRE-UHFFFAOYSA-N -1 0 328.393 3.805 20 0 EHADRM C[C@H](Sc1ccccc1)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000013177505 1025071714 /nfs/dbraw/zinc/07/17/14/1025071714.db2.gz NLYICYKREBBQED-BLLLJJGKSA-N -1 0 347.411 3.639 20 0 EHADRM CC[C@@H](NC(=O)N(CC(=O)[O-])C1CCCCC1)c1ccc(C)cc1 ZINC000684729236 1025076020 /nfs/dbraw/zinc/07/60/20/1025076020.db2.gz QESUZPDMQPIEEB-QGZVFWFLSA-N -1 0 332.444 3.875 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N(C)Cc2ccccc2C)s1 ZINC000515229886 1025096616 /nfs/dbraw/zinc/09/66/16/1025096616.db2.gz OZBGAZPIGPGCKG-UHFFFAOYSA-N -1 0 332.473 3.665 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)cc2Cl)cc1F ZINC000071977971 1025097888 /nfs/dbraw/zinc/09/78/88/1025097888.db2.gz HMPPQAKRRMYIKB-UHFFFAOYSA-N -1 0 343.807 3.987 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1cccn1C1CCCC1 ZINC000190947642 1025127984 /nfs/dbraw/zinc/12/79/84/1025127984.db2.gz HIUMZPWHMXDTRJ-UHFFFAOYSA-N -1 0 342.395 3.627 20 0 EHADRM CC(C)C[C@H](C(=O)[O-])N(C)C(=O)N[C@@H](C)c1c(F)cccc1Cl ZINC000684739326 1025146930 /nfs/dbraw/zinc/14/69/30/1025146930.db2.gz KXSKQROBZMTOEI-GXFFZTMASA-N -1 0 344.814 3.681 20 0 EHADRM Cc1cc(Nc2cnc(NC(=O)OC(C)(C)C)cn2)cc(C(=O)[O-])c1 ZINC001211539020 1025154814 /nfs/dbraw/zinc/15/48/14/1025154814.db2.gz BIZBSJVWPLBPFZ-UHFFFAOYSA-N -1 0 344.371 3.574 20 0 EHADRM O=C([O-])c1ccc(C(F)(F)F)nc1N1CCC[C@H](C(F)(F)F)C1 ZINC000322281159 1033263014 /nfs/dbraw/zinc/26/30/14/1033263014.db2.gz RGYNMESVGLAPCK-ZETCQYMHSA-N -1 0 342.239 3.577 20 0 EHADRM COc1cccnc1[N-]S(=O)(=O)c1c(C)cc(C(C)(C)C)cc1C ZINC000521026253 1025172129 /nfs/dbraw/zinc/17/21/29/1025172129.db2.gz FUGFEGRQWZGBEY-UHFFFAOYSA-N -1 0 348.468 3.805 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccnc2C)c1Cl ZINC000467438522 1025200991 /nfs/dbraw/zinc/20/09/91/1025200991.db2.gz OGZKARZNMLNADE-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM O=C([O-])CN(C(=O)Nc1cccc(OC(F)F)c1)C1CCCCC1 ZINC000684744286 1025207652 /nfs/dbraw/zinc/20/76/52/1025207652.db2.gz ISZVKAYQKPKJRB-UHFFFAOYSA-N -1 0 342.342 3.539 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)s1 ZINC000515378386 1025208366 /nfs/dbraw/zinc/20/83/66/1025208366.db2.gz NJKIMIMDPGGBQB-GRYCIOLGSA-N -1 0 340.518 3.552 20 0 EHADRM O=C(CC1(C(=O)[O-])CCCC1)Nc1ccc(OC2CCCC2)cc1 ZINC000324360178 1025210852 /nfs/dbraw/zinc/21/08/52/1025210852.db2.gz HTEGJHJQGWDPLZ-UHFFFAOYSA-N -1 0 331.412 3.982 20 0 EHADRM CN(Cc1cc(Cl)ccc1F)C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000574521848 1033267180 /nfs/dbraw/zinc/26/71/80/1033267180.db2.gz KVOYHGLFEFTUKS-UHFFFAOYSA-N -1 0 341.810 3.719 20 0 EHADRM O=C([O-])[C@@H]1CCCCCN1C(=O)Nc1cccc(-c2nccs2)c1 ZINC000684745736 1025221839 /nfs/dbraw/zinc/22/18/39/1025221839.db2.gz MBZKTIJIOIEXHO-AWEZNQCLSA-N -1 0 345.424 3.671 20 0 EHADRM Cc1ccc(NC(=O)N2CCCCC[C@@H]2C(=O)[O-])cc1-c1ncco1 ZINC000684750177 1025271727 /nfs/dbraw/zinc/27/17/27/1025271727.db2.gz YHINPLYSQDITCB-OAHLLOKOSA-N -1 0 343.383 3.511 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])[NH2+]Cc2ccc(SC)cc2)c1 ZINC000277485955 1025349796 /nfs/dbraw/zinc/34/97/96/1025349796.db2.gz WWURXJDPZARFAJ-QGZVFWFLSA-N -1 0 331.437 3.723 20 0 EHADRM Cc1ccc(C(N)=O)cc1Nc1cc(C(=O)[O-])c(Cl)cc1Cl ZINC001216359425 1025358310 /nfs/dbraw/zinc/35/83/10/1025358310.db2.gz JHILLIJFUIBBJI-UHFFFAOYSA-N -1 0 339.178 3.843 20 0 EHADRM CCC[C@H](C(=O)[O-])[S@@](=O)[C@H](C)c1ccc(Br)cc1 ZINC000515605108 1025400833 /nfs/dbraw/zinc/40/08/33/1025400833.db2.gz SSPXFRSPXGIKMW-RVQCWIKKSA-N -1 0 333.247 3.512 20 0 EHADRM CC[C@H](CNC(=O)N=c1[n-]nc(C(C)(C)C)s1)c1ccccc1 ZINC000521453127 1025401264 /nfs/dbraw/zinc/40/12/64/1025401264.db2.gz CTQJCYZUSKNTKM-GFCCVEGCSA-N -1 0 332.473 3.573 20 0 EHADRM CN(Cc1ccc(Cl)cc1Cl)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000684771118 1025410977 /nfs/dbraw/zinc/41/09/77/1025410977.db2.gz CUUXSCVKIJUSIK-UHFFFAOYSA-N -1 0 344.238 3.843 20 0 EHADRM Cc1n[nH]cc1-c1n[n-]c(=NCc2cccc(Cl)c2Cl)s1 ZINC000436149439 1025419498 /nfs/dbraw/zinc/41/94/98/1025419498.db2.gz IMBCHMAWKQBBGO-UHFFFAOYSA-N -1 0 340.239 3.577 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000515655684 1025440035 /nfs/dbraw/zinc/44/00/35/1025440035.db2.gz MRHKPDLWAGMTDO-KRWDZBQOSA-N -1 0 333.428 3.831 20 0 EHADRM Cc1c(C(=O)N[C@@H]2CCCC[C@@H]2C(=O)[O-])sc2cccc(F)c12 ZINC000321221228 1025486315 /nfs/dbraw/zinc/48/63/15/1025486315.db2.gz QFIAXQIGWCXTMV-CMPLNLGQSA-N -1 0 335.400 3.722 20 0 EHADRM O=S(=O)([N-]c1c[nH]nc1-c1ccccc1)c1ccc(C(F)F)cc1 ZINC000342444183 1025529972 /nfs/dbraw/zinc/52/99/72/1025529972.db2.gz HYTCSDKDWHSZNN-UHFFFAOYSA-N -1 0 349.362 3.815 20 0 EHADRM CC(C)CCC[C@@H](C)NC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000391964636 1025537096 /nfs/dbraw/zinc/53/70/96/1025537096.db2.gz NRTLBXIABUSYRL-PBHICJAKSA-N -1 0 332.444 3.595 20 0 EHADRM C[C@H](CNC(=O)C[C@@H](Cc1ccccc1)c1ccccc1)CC(=O)[O-] ZINC000262274447 1025556508 /nfs/dbraw/zinc/55/65/08/1025556508.db2.gz XGJMFYSOFIJIIM-QFBILLFUSA-N -1 0 339.435 3.630 20 0 EHADRM CO[C@@H]1CCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])[C@@H](C)C1 ZINC000442897666 1025584418 /nfs/dbraw/zinc/58/44/18/1025584418.db2.gz JHDKRRAEECBSEN-NWDGAFQWSA-N -1 0 333.815 3.838 20 0 EHADRM O=C([O-])CC1(CNC(=O)[C@@H]2CCCc3ccccc32)CCCCC1 ZINC000392132593 1025615666 /nfs/dbraw/zinc/61/56/66/1025615666.db2.gz KFEVUBRAWWMWGB-QGZVFWFLSA-N -1 0 329.440 3.648 20 0 EHADRM O=C(Nc1ccc2ccoc2c1)c1nn(-c2ccccc2F)cc1[O-] ZINC000442950367 1025617237 /nfs/dbraw/zinc/61/72/37/1025617237.db2.gz YXBVTWDKCHUUPN-UHFFFAOYSA-N -1 0 337.310 3.716 20 0 EHADRM Cc1cc(C([O-])=C[S@@](=O)[C@@H](C)c2ccc(Cl)cc2)c(C)n1C ZINC000521715901 1025618484 /nfs/dbraw/zinc/61/84/84/1025618484.db2.gz FCKIRWQYQCNXKB-WHEQGISXSA-N -1 0 337.872 3.988 20 0 EHADRM C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)[N-]OCC(F)F ZINC000759340586 1025643011 /nfs/dbraw/zinc/64/30/11/1025643011.db2.gz WGJYCJQFGHFOJQ-MRVPVSSYSA-N -1 0 346.786 3.682 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cccc3cccc(O)c32)C1 ZINC000909495306 1025712885 /nfs/dbraw/zinc/71/28/85/1025712885.db2.gz PPUPZUGGRDGYIP-CQSZACIVSA-N -1 0 341.407 3.508 20 0 EHADRM C[C@H](Oc1cccc(O)c1I)c1ccccn1 ZINC001227381287 1025727436 /nfs/dbraw/zinc/72/74/36/1025727436.db2.gz PHNWTKYBRKQMEZ-VIFPVBQESA-N -1 0 341.148 3.532 20 0 EHADRM CCCC[C@H](NC(=O)c1cccc(Nc2ccccc2)c1)C(=O)[O-] ZINC000347254768 1025736589 /nfs/dbraw/zinc/73/65/89/1025736589.db2.gz BNMGWPQFKMOVLP-KRWDZBQOSA-N -1 0 326.396 3.803 20 0 EHADRM CCCC[C@@H](NC(=O)c1cc(Cl)ccc1OC(C)C)C(=O)[O-] ZINC000347254999 1025740119 /nfs/dbraw/zinc/74/01/19/1025740119.db2.gz DAQOVPWRKQYOLL-CYBMUJFWSA-N -1 0 327.808 3.500 20 0 EHADRM CC[C@@H](NC(=O)c1cc(Cl)c2ccccc2c1[O-])c1ncc[nH]1 ZINC000443127232 1025743275 /nfs/dbraw/zinc/74/32/75/1025743275.db2.gz IIMWPNNSRQIRIY-CQSZACIVSA-N -1 0 329.787 3.803 20 0 EHADRM CCCC[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000347262038 1025758007 /nfs/dbraw/zinc/75/80/07/1025758007.db2.gz OSAIFWJSWQKXMC-TVQRCGJNSA-N -1 0 348.226 3.520 20 0 EHADRM [O-]c1ccc(Cl)cc1-c1nc(-c2ccnc(OC(F)F)c2)no1 ZINC000436484076 1025788653 /nfs/dbraw/zinc/78/86/53/1025788653.db2.gz DINDFTFRNPUTLA-UHFFFAOYSA-N -1 0 339.685 3.759 20 0 EHADRM Cc1nc2c(cccc2-c2noc(-c3cc(Cl)ccc3[O-])n2)[nH]1 ZINC000436521841 1025820634 /nfs/dbraw/zinc/82/06/34/1025820634.db2.gz PAMHGTAPLZUJLQ-UHFFFAOYSA-N -1 0 326.743 3.947 20 0 EHADRM O=C(N=c1nc(-c2cccc(Cl)c2)[n-]s1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000329433596 1025843881 /nfs/dbraw/zinc/84/38/81/1025843881.db2.gz LDTVOFOZEFTNBV-TXEJJXNPSA-N -1 0 348.859 3.544 20 0 EHADRM Cc1ccc2cccc(C(=O)N[C@H](CC(=O)[O-])c3ccccc3C)c2n1 ZINC000191109104 1025861806 /nfs/dbraw/zinc/86/18/06/1025861806.db2.gz JSVIAMRBKQGCMB-GOSISDBHSA-N -1 0 348.402 3.797 20 0 EHADRM Cc1nc(C(C)(C)NC(=O)c2cc(Cl)c3ccccc3c2[O-])no1 ZINC000436542934 1025871857 /nfs/dbraw/zinc/87/18/57/1025871857.db2.gz FTGZFTAOYPYPRH-UHFFFAOYSA-N -1 0 345.786 3.555 20 0 EHADRM Cn1nccc1NC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436545249 1025878296 /nfs/dbraw/zinc/87/82/96/1025878296.db2.gz NCPUJMRKJFIQQC-UHFFFAOYSA-N -1 0 327.771 3.698 20 0 EHADRM O=c1[n-]c([C@H]2CCCCN2Cc2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000329472272 1025897960 /nfs/dbraw/zinc/89/79/60/1025897960.db2.gz BEMBGICXBLUVFL-GFCCVEGCSA-N -1 0 327.215 3.544 20 0 EHADRM O=C(NCc1ccc2cc[nH]c2n1)c1c([O-])cc(Cl)cc1Cl ZINC000436598018 1025916692 /nfs/dbraw/zinc/91/66/92/1025916692.db2.gz XYVYRSLPLHMKHN-UHFFFAOYSA-N -1 0 336.178 3.505 20 0 EHADRM CCC[C@@H](CC1CCCC1)C(=O)N=c1nc([C@@H](C)OC)[n-]s1 ZINC000511100205 1025923949 /nfs/dbraw/zinc/92/39/49/1025923949.db2.gz IVYALSWNXKPORW-YPMHNXCESA-N -1 0 325.478 3.603 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000436602677 1025933969 /nfs/dbraw/zinc/93/39/69/1025933969.db2.gz KUOILIHDYGFNEV-ZETCQYMHSA-N -1 0 325.689 3.599 20 0 EHADRM O=C(NCC(F)(F)c1ccccc1)c1cc(F)c([O-])c(Cl)c1 ZINC000436611023 1025944394 /nfs/dbraw/zinc/94/43/94/1025944394.db2.gz UIUGZPFOTTYJRF-UHFFFAOYSA-N -1 0 329.705 3.707 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc(COc3ccccc3)cc2)CCC1 ZINC000262711352 1025947826 /nfs/dbraw/zinc/94/78/26/1025947826.db2.gz BRYLDVKIODFQRS-UHFFFAOYSA-N -1 0 339.391 3.849 20 0 EHADRM CCN(Cc1c(F)cccc1F)C(=O)c1ccc(C(C)=O)c(O)c1 ZINC000436635172 1025965054 /nfs/dbraw/zinc/96/50/54/1025965054.db2.gz MUQZFDHSUAGDAF-UHFFFAOYSA-N -1 0 333.334 3.535 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H]2CCC(=O)[C@@H](C)C2(C)C)c1 ZINC000436649870 1025974855 /nfs/dbraw/zinc/97/48/55/1025974855.db2.gz XMFSELBLNGFKDQ-DGCLKSJQSA-N -1 0 331.412 3.565 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)COc2ccccc2Cl)c1 ZINC000436651005 1025977194 /nfs/dbraw/zinc/97/71/94/1025977194.db2.gz CJYDSQOSZKUJPM-UHFFFAOYSA-N -1 0 333.771 3.656 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N=c3nc(Cc4ccccc4)[n-]s3)cc2c1 ZINC000522111316 1025980888 /nfs/dbraw/zinc/98/08/88/1025980888.db2.gz ZMFVLMQLTSCHMY-UHFFFAOYSA-N -1 0 348.431 3.593 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccn(C3CCCC3)n2)c1 ZINC000436655317 1025986061 /nfs/dbraw/zinc/98/60/61/1025986061.db2.gz FXFUPXCSESWAKP-UHFFFAOYSA-N -1 0 327.384 3.549 20 0 EHADRM O=C([O-])c1cc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)cs1 ZINC000582371561 1025987265 /nfs/dbraw/zinc/98/72/65/1025987265.db2.gz DEIJETNAHIKUTH-AWEZNQCLSA-N -1 0 337.828 3.673 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C2(c3ccccc3F)CC2)c1 ZINC000436642313 1025991386 /nfs/dbraw/zinc/99/13/86/1025991386.db2.gz ARLWEXIFONMTTN-UHFFFAOYSA-N -1 0 327.355 3.794 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ncsc2C(F)(F)F)c1 ZINC000436650082 1025999978 /nfs/dbraw/zinc/99/99/78/1025999978.db2.gz QLZBZGBFLLWDKO-UHFFFAOYSA-N -1 0 344.314 3.713 20 0 EHADRM CCOc1cccc(S(=O)(=O)[N-]c2cccc3ccc(C)nc32)c1 ZINC000443411068 1026010563 /nfs/dbraw/zinc/01/05/63/1026010563.db2.gz CKBLKNAOVBHWGC-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM CCc1cccnc1[N-]S(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000443419218 1026016061 /nfs/dbraw/zinc/01/60/61/1026016061.db2.gz PRJZROJCFBPTNE-UHFFFAOYSA-N -1 0 334.441 3.540 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)c2cc(F)cc(Cl)c2[O-])c1C ZINC000436674518 1026017903 /nfs/dbraw/zinc/01/79/03/1026017903.db2.gz ILTZIEQWRZCFEF-QMMMGPOBSA-N -1 0 325.771 3.913 20 0 EHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)NC[C@H](C(=O)[O-])C2CCC2)o1 ZINC000665325787 1026033339 /nfs/dbraw/zinc/03/33/39/1026033339.db2.gz OFEKLHJRBXWRQZ-HOTGVXAUSA-N -1 0 348.443 3.716 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N=c1ncn(C2CCCCC2)[n-]1 ZINC000329583470 1026034157 /nfs/dbraw/zinc/03/41/57/1026034157.db2.gz VVTNTJATHBKLFQ-UHFFFAOYSA-N -1 0 342.374 3.651 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)c(C)c1 ZINC000665328223 1026052637 /nfs/dbraw/zinc/05/26/37/1026052637.db2.gz GCTYKDBSPJGLEB-WMLDXEAASA-N -1 0 332.444 3.507 20 0 EHADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000665328064 1026052717 /nfs/dbraw/zinc/05/27/17/1026052717.db2.gz CKGPHHHEHQGKTE-IAQYHMDHSA-N -1 0 338.835 3.543 20 0 EHADRM COc1cc(/C=C\c2nc(-c3ccccc3)ncc2C(=O)[O-])ccc1O ZINC000443447213 1026056747 /nfs/dbraw/zinc/05/67/47/1026056747.db2.gz QXMPYQHTYYGGPN-CLFYSBASSA-N -1 0 348.358 3.726 20 0 EHADRM Cn1nc(-c2ccsc2)cc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000436713018 1026078060 /nfs/dbraw/zinc/07/80/60/1026078060.db2.gz CUONZDUJNDHVMF-UHFFFAOYSA-N -1 0 333.800 3.760 20 0 EHADRM COc1cc(C)c(NC(=O)c2cc(F)cc(Cl)c2[O-])cc1OC ZINC000436741720 1026109972 /nfs/dbraw/zinc/10/99/72/1026109972.db2.gz UTFFOIKULZCJCG-UHFFFAOYSA-N -1 0 339.750 3.763 20 0 EHADRM Cc1noc2ncc(NC(=O)c3ccc(C(F)(F)F)cc3O)cc12 ZINC000436751922 1026139319 /nfs/dbraw/zinc/13/93/19/1026139319.db2.gz OQLDEVIFGKEDCA-UHFFFAOYSA-N -1 0 337.257 3.508 20 0 EHADRM Cc1cc(C(=O)Nc2cc(F)ccc2O)nn1-c1ccccc1Cl ZINC000436751530 1026139933 /nfs/dbraw/zinc/13/99/33/1026139933.db2.gz LZQSNJXSORBYSQ-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM C[C@H](NC(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1)[C@@H](C)c1ccccc1 ZINC000582398176 1026160524 /nfs/dbraw/zinc/16/05/24/1026160524.db2.gz BUFUUGRGYCSMJP-RVKKMQEKSA-N -1 0 340.423 3.646 20 0 EHADRM CC(=O)c1cccc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)c1 ZINC000024242263 1026191558 /nfs/dbraw/zinc/19/15/58/1026191558.db2.gz SBYMATINWABMSP-UHFFFAOYSA-N -1 0 340.404 3.547 20 0 EHADRM CCC(CC)(NC(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000342542973 1026200224 /nfs/dbraw/zinc/20/02/24/1026200224.db2.gz HTWWFWJOBDOTPU-STQMWFEESA-N -1 0 343.345 3.569 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)c1 ZINC000193476612 1026206872 /nfs/dbraw/zinc/20/68/72/1026206872.db2.gz XDPBUGYWCSRAMH-UHFFFAOYSA-N -1 0 337.404 3.825 20 0 EHADRM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000511119410 1026209085 /nfs/dbraw/zinc/20/90/85/1026209085.db2.gz HNMCQCCRIRCQMY-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM O=S(=O)([N-]c1nccc2sccc21)c1cccc(Cl)c1F ZINC000347313924 1026259068 /nfs/dbraw/zinc/25/90/68/1026259068.db2.gz ARHLEHFLDOLXFR-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM C[C@H](C(F)(F)F)S(=O)(=O)[N-]CCCCc1ccc(Cl)s1 ZINC000560059991 1026305318 /nfs/dbraw/zinc/30/53/18/1026305318.db2.gz MOPRUPVSERTRBS-MRVPVSSYSA-N -1 0 349.827 3.594 20 0 EHADRM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CC1(C(=O)[O-])CCC1 ZINC000262441675 1026315573 /nfs/dbraw/zinc/31/55/73/1026315573.db2.gz CUAKQLIRPYCKHH-IAGOWNOFSA-N -1 0 329.440 3.816 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccsc2)s1)N(C1CC1)C1CCCC1 ZINC000530837864 1026334261 /nfs/dbraw/zinc/33/42/61/1026334261.db2.gz AKSCRDWOVYSFEP-UHFFFAOYSA-N -1 0 334.470 3.627 20 0 EHADRM CC[C@@](C)(NC(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C)C(=O)[O-] ZINC000262454928 1026341634 /nfs/dbraw/zinc/34/16/34/1026341634.db2.gz PWQSBCJMZUIPOK-JLTOFOAXSA-N -1 0 342.439 3.697 20 0 EHADRM Cc1nnc(=S)[n-]c1O[C@@H](C)c1ccc(F)c(Br)c1 ZINC001227601655 1026344781 /nfs/dbraw/zinc/34/47/81/1026344781.db2.gz LGQRLJPWYWQNGQ-ZETCQYMHSA-N -1 0 344.209 3.510 20 0 EHADRM C[C@H](C(=O)Nc1cc(Cl)cc(Br)c1[O-])C(F)(F)F ZINC000530895444 1026382547 /nfs/dbraw/zinc/38/25/47/1026382547.db2.gz ZORSJELLBQLHCX-SCSAIBSYSA-N -1 0 346.530 3.945 20 0 EHADRM Cc1noc(C)c1CCC(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000159295213 1026599600 /nfs/dbraw/zinc/59/96/00/1026599600.db2.gz HJPSHJBPPNRNMD-UHFFFAOYSA-N -1 0 329.183 3.875 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c(O)c2)o1 ZINC000444347640 1026606101 /nfs/dbraw/zinc/60/61/01/1026606101.db2.gz AEEOGPPKFNOHNJ-UHFFFAOYSA-N -1 0 342.395 3.608 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)N(CC(=O)[O-])CC(C)C ZINC000582565207 1026610219 /nfs/dbraw/zinc/61/02/19/1026610219.db2.gz OALAMHJVGONARF-CYBMUJFWSA-N -1 0 332.400 3.554 20 0 EHADRM Cc1cccc(C)c1CC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000192900874 1026613713 /nfs/dbraw/zinc/61/37/13/1026613713.db2.gz IQRPEEVDWDHOSP-UHFFFAOYSA-N -1 0 347.798 3.601 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000325312959 1026623964 /nfs/dbraw/zinc/62/39/64/1026623964.db2.gz UEBHNUFHTBUBMY-FOIQADDNSA-N -1 0 325.408 3.605 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)s1 ZINC000054260866 1026667527 /nfs/dbraw/zinc/66/75/27/1026667527.db2.gz XDKDNFMYXVIUME-VIFPVBQESA-N -1 0 345.449 3.859 20 0 EHADRM COC(=O)COc1ccc2cc(-c3ccccc3C(=O)[O-])ccc2c1 ZINC000582609152 1026735989 /nfs/dbraw/zinc/73/59/89/1026735989.db2.gz HOMZSOSICQGXRE-UHFFFAOYSA-N -1 0 336.343 3.757 20 0 EHADRM CCN(C(=O)CC1(C(=O)[O-])CCC1)[C@@H](C)c1cc2ccccc2o1 ZINC000262499695 1026754444 /nfs/dbraw/zinc/75/44/44/1026754444.db2.gz KNBPCAJWYXBTAN-ZDUSSCGKSA-N -1 0 329.396 3.987 20 0 EHADRM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC000909593086 1026888174 /nfs/dbraw/zinc/88/81/74/1026888174.db2.gz SNWQUSIEFCVOCG-DYVFJYSZSA-N -1 0 342.439 3.836 20 0 EHADRM O=C(NCc1ccccc1CO)c1cc(Cl)c2ccccc2c1[O-] ZINC000531429047 1026902296 /nfs/dbraw/zinc/90/22/96/1026902296.db2.gz TUAHHXONZDTKPF-UHFFFAOYSA-N -1 0 341.794 3.621 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1C ZINC000342773300 1027004784 /nfs/dbraw/zinc/00/47/84/1027004784.db2.gz AXVJPFYVEWJZFL-LBPRGKRZSA-N -1 0 344.440 3.512 20 0 EHADRM CS[C@@H](C)CC(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000125720335 1027119612 /nfs/dbraw/zinc/11/96/12/1027119612.db2.gz RZQNDSLWYDFAEM-LURJTMIESA-N -1 0 338.654 3.888 20 0 EHADRM CC[C@H]1CCN(C(=O)c2nn(-c3cccc(C(C)C)c3)cc2[O-])C1 ZINC000153153356 1027159576 /nfs/dbraw/zinc/15/95/76/1027159576.db2.gz MBRKGTDIDPCILY-AWEZNQCLSA-N -1 0 327.428 3.573 20 0 EHADRM CCc1cccc(Cl)c1CN=c1[n-]nc(C2CCOCC2)s1 ZINC000453052964 1027294377 /nfs/dbraw/zinc/29/43/77/1027294377.db2.gz RHEONFCNQFIETA-UHFFFAOYSA-N -1 0 337.876 3.682 20 0 EHADRM Oc1ccc(CNCc2c(F)ccc(Br)c2F)cc1F ZINC000501457586 1027299524 /nfs/dbraw/zinc/29/95/24/1027299524.db2.gz XSYCCMXAIZMMSW-UHFFFAOYSA-N -1 0 346.146 3.862 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000414439511 1027327012 /nfs/dbraw/zinc/32/70/12/1027327012.db2.gz LAOBRTOUQBIZJL-NRFANRHFSA-N -1 0 335.403 3.585 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N2Cc3ccc(Cl)cc3C2)s1 ZINC000459309000 1027507739 /nfs/dbraw/zinc/50/77/39/1027507739.db2.gz LDYXRJAVIRQFNK-UHFFFAOYSA-N -1 0 336.848 3.504 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N2CC3(CCC3)[C@@H]2c2ccco2)s1 ZINC000454235814 1027654539 /nfs/dbraw/zinc/65/45/39/1027654539.db2.gz ZILHWJMAIVJICI-AWEZNQCLSA-N -1 0 346.456 3.511 20 0 EHADRM CC[C@@H]1CN(C(=O)CC2(C(=O)[O-])CCC2)CC[C@@H]1c1ccccc1 ZINC000262526672 1027655511 /nfs/dbraw/zinc/65/55/11/1027655511.db2.gz OUSQMJWBFJLVGO-WBVHZDCISA-N -1 0 329.440 3.674 20 0 EHADRM COc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000614785540 1027660705 /nfs/dbraw/zinc/66/07/05/1027660705.db2.gz SEJPOUWEWGOLDN-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CC(C)[C@H]1C[C@@H](NC(=O)NCCCCCC(=O)[O-])c2ccccc21 ZINC000414648936 1027687129 /nfs/dbraw/zinc/68/71/29/1027687129.db2.gz VAIRGWDETGWCHJ-IAGOWNOFSA-N -1 0 332.444 3.815 20 0 EHADRM Cc1ccoc1CN(C)C(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000455139638 1027740379 /nfs/dbraw/zinc/74/03/79/1027740379.db2.gz AUOBVDSFEVEESX-UHFFFAOYSA-N -1 0 348.453 3.562 20 0 EHADRM C[C@@H]1CCc2nc(CNc3cccc(CCC(=O)[O-])c3)sc2C1 ZINC000414660773 1027742589 /nfs/dbraw/zinc/74/25/89/1027742589.db2.gz PUASNGLQUXDKJO-GFCCVEGCSA-N -1 0 330.453 3.897 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)Nc3cc4[nH]ccc4cc3C)cc2=O)cc1 ZINC000444444416 1027761952 /nfs/dbraw/zinc/76/19/52/1027761952.db2.gz AOCVGIRSAQASOS-UHFFFAOYSA-N -1 0 346.390 3.516 20 0 EHADRM CC(C)[C@H]1CCN1C(=O)N=c1[n-]nc(SCc2ccccc2)s1 ZINC000454246565 1027829481 /nfs/dbraw/zinc/82/94/81/1027829481.db2.gz SNDIUCBSEVGQPU-CYBMUJFWSA-N -1 0 348.497 3.515 20 0 EHADRM CC(C)[C@@H]1CCN1C(=O)N=c1[n-]nc(SCc2ccccc2)s1 ZINC000454246569 1027830560 /nfs/dbraw/zinc/83/05/60/1027830560.db2.gz SNDIUCBSEVGQPU-ZDUSSCGKSA-N -1 0 348.497 3.515 20 0 EHADRM Cc1cnc(C(=O)N(C)c2ccc(OCc3ccccc3)cc2)c([O-])c1 ZINC000444465600 1027920779 /nfs/dbraw/zinc/92/07/79/1027920779.db2.gz HXZVXNGQAQLNBT-UHFFFAOYSA-N -1 0 348.402 3.951 20 0 EHADRM O=C(Nc1ccccc1OC1CCCC1)c1ccc2oc(=O)nc-2[n-]1 ZINC000666700498 1027940843 /nfs/dbraw/zinc/94/08/43/1027940843.db2.gz PMNICAKGTQDZCR-UHFFFAOYSA-N -1 0 339.351 3.502 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cc(F)ccc2SCC(F)F)CCC1 ZINC000262549995 1027941266 /nfs/dbraw/zinc/94/12/66/1027941266.db2.gz SVCNVYTZDISWII-UHFFFAOYSA-N -1 0 347.358 3.766 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@H](c2ccccc2)c2cccc(F)c2)CCC1 ZINC000262549151 1027949811 /nfs/dbraw/zinc/94/98/11/1027949811.db2.gz SRZHMZWSLLLINB-GOSISDBHSA-N -1 0 341.382 3.676 20 0 EHADRM O=S(=O)([N-]c1cc(C2CC2)nn1-c1ccccc1)c1ccccc1 ZINC000078558196 1027958131 /nfs/dbraw/zinc/95/81/31/1027958131.db2.gz UZWNQFXBGHHFHU-UHFFFAOYSA-N -1 0 339.420 3.551 20 0 EHADRM C[C@H](CNC(=O)CC1(C(=O)[O-])CCC1)c1c(Cl)cccc1Cl ZINC000262555388 1027986282 /nfs/dbraw/zinc/98/62/82/1027986282.db2.gz UTMWSOFIIZVVDA-SNVBAGLBSA-N -1 0 344.238 3.858 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc3oc(=O)ccc3c2)c(Cl)c1 ZINC000054294245 1028001972 /nfs/dbraw/zinc/00/19/72/1028001972.db2.gz PZUJWBWFSFQPMV-UHFFFAOYSA-N -1 0 349.795 3.556 20 0 EHADRM O=C([O-])CC1CCN(C(=O)c2ccc(SC(F)(F)F)cc2)CC1 ZINC000261835410 1028112661 /nfs/dbraw/zinc/11/26/61/1028112661.db2.gz XXZFWBOLEHKNSP-UHFFFAOYSA-N -1 0 347.358 3.625 20 0 EHADRM O=S(=O)(NC[C@@H]1CSc2ccccc21)c1cc2ccccc2o1 ZINC001211954577 1028126425 /nfs/dbraw/zinc/12/64/25/1028126425.db2.gz RKRHHAFKRUXLGC-CYBMUJFWSA-N -1 0 345.445 3.601 20 0 EHADRM COC(=O)c1nc(Cl)ccc1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211963049 1028220118 /nfs/dbraw/zinc/22/01/18/1028220118.db2.gz VPAHVORNHNXZSD-UHFFFAOYSA-N -1 0 341.150 3.617 20 0 EHADRM O=C(Nc1ccc(O)c(C(F)(F)F)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000342946032 1028318145 /nfs/dbraw/zinc/31/81/45/1028318145.db2.gz WSTCXPYMQVPXPW-UHFFFAOYSA-N -1 0 348.280 3.505 20 0 EHADRM CCN(CCO)c1ccc(Nc2cc(Cl)cc(C(=O)[O-])c2)c(C)c1 ZINC001211967228 1028336475 /nfs/dbraw/zinc/33/64/75/1028336475.db2.gz XCFGORHUDUWELE-UHFFFAOYSA-N -1 0 348.830 3.909 20 0 EHADRM Cc1cc(N(C)C)ccc1NS(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000533690748 1028362065 /nfs/dbraw/zinc/36/20/65/1028362065.db2.gz QBNYYWAOWKUSBX-UHFFFAOYSA-N -1 0 342.823 3.654 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2cccc3c2CN(C2CC2)C3=O)c1 ZINC001211969347 1028403918 /nfs/dbraw/zinc/40/39/18/1028403918.db2.gz DVLWXPAGPWHLCU-UHFFFAOYSA-N -1 0 342.782 3.900 20 0 EHADRM CN1Cc2cc(Nc3cc(Cl)cc(C(=O)[O-])c3)ccc2N(C)C1=O ZINC001211969342 1028406457 /nfs/dbraw/zinc/40/64/57/1028406457.db2.gz DTOCDINMPSGVIU-UHFFFAOYSA-N -1 0 345.786 3.783 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1ccc(F)cc1 ZINC000548783340 1028530896 /nfs/dbraw/zinc/53/08/96/1028530896.db2.gz ZAPRLFVFOCNHMZ-MRXNPFEDSA-N -1 0 344.386 3.826 20 0 EHADRM CC(C)C[C@H](NC(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)[O-] ZINC000236589275 1028552486 /nfs/dbraw/zinc/55/24/86/1028552486.db2.gz NMHNQCXGKBATDM-INIZCTEOSA-N -1 0 347.386 3.634 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000236672899 1028561725 /nfs/dbraw/zinc/56/17/25/1028561725.db2.gz DCHBQXMKGSMKPU-VXGBXAGGSA-N -1 0 344.238 3.666 20 0 EHADRM CC(C)[C@H](NC(=O)c1ccc(CSc2ccccc2)cc1)C(=O)[O-] ZINC000236770477 1028580814 /nfs/dbraw/zinc/58/08/14/1028580814.db2.gz LZYLLQGIHLZJKA-KRWDZBQOSA-N -1 0 343.448 3.818 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC000236854290 1028589017 /nfs/dbraw/zinc/58/90/17/1028589017.db2.gz BIMAHXBEIRUPAI-MEBBXXQBSA-N -1 0 335.787 3.829 20 0 EHADRM CCC[C@](C)(NC(=O)CSc1ccc2ccccc2c1)C(=O)[O-] ZINC000236808339 1028589838 /nfs/dbraw/zinc/58/98/38/1028589838.db2.gz AAIIFHXXRDWKCV-SFHVURJKSA-N -1 0 331.437 3.692 20 0 EHADRM O=S(=O)([N-]c1ccc2scnc2c1)c1c(F)cc(F)cc1F ZINC000195447609 1028612722 /nfs/dbraw/zinc/61/27/22/1028612722.db2.gz KRQMXJFAJXQURC-UHFFFAOYSA-N -1 0 344.339 3.514 20 0 EHADRM Cc1ccc2nc(C)c(C(=O)N(C)Cc3ccc(C(=O)[O-])cc3)cc2c1 ZINC000237066075 1028620411 /nfs/dbraw/zinc/62/04/11/1028620411.db2.gz LHGVVRRACCSTDI-UHFFFAOYSA-N -1 0 348.402 3.822 20 0 EHADRM c1sc(CN=c2[n-]nc(C3CC3)o2)nc1-c1cc2ccccc2o1 ZINC000343012402 1028648921 /nfs/dbraw/zinc/64/89/21/1028648921.db2.gz PRUUJKRYKACLOL-UHFFFAOYSA-N -1 0 338.392 3.851 20 0 EHADRM Cc1cccc([C@H](C)C(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)c1 ZINC000237439505 1028651407 /nfs/dbraw/zinc/65/14/07/1028651407.db2.gz NXDHYMBUBOEZHC-YJBOKZPZSA-N -1 0 325.408 3.739 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccc(C(=O)[O-])cc2)C2CC2)o1 ZINC000237569362 1028656196 /nfs/dbraw/zinc/65/61/96/1028656196.db2.gz ULEGCMHJDUENOX-SJCJKPOMSA-N -1 0 339.391 3.906 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1cnc(C(C)(C)C)s1 ZINC000237609465 1028659270 /nfs/dbraw/zinc/65/92/70/1028659270.db2.gz SGIMHBUKCVWQHJ-CYBMUJFWSA-N -1 0 346.452 3.695 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c1 ZINC000238034113 1028672137 /nfs/dbraw/zinc/67/21/37/1028672137.db2.gz DGKQMOSNEAPGSX-CABCVRRESA-N -1 0 345.782 3.546 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCc2ccc(F)cc2C(F)(F)F)s1 ZINC000238048739 1028677381 /nfs/dbraw/zinc/67/73/81/1028677381.db2.gz RNFFKMKGHKUZOF-UHFFFAOYSA-N -1 0 347.289 3.534 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000016100740 1028723057 /nfs/dbraw/zinc/72/30/57/1028723057.db2.gz DPFMAFNFEMTIKS-UHFFFAOYSA-N -1 0 327.352 3.554 20 0 EHADRM Cc1ccc(C)c(C(=O)NCC2CCC(F)(F)CC2)c1C(=O)[O-] ZINC000634834370 1028807246 /nfs/dbraw/zinc/80/72/46/1028807246.db2.gz AYAOVFWBLLHDJM-UHFFFAOYSA-N -1 0 325.355 3.557 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)COc2ccc(C(C)(C)C)cc2)s[n-]1 ZINC000524101899 1028861975 /nfs/dbraw/zinc/86/19/75/1028861975.db2.gz QLZGUDFZCVGBJT-UHFFFAOYSA-N -1 0 347.484 3.573 20 0 EHADRM CCC(CC)(CNC(=O)CC(C)(C)CC(=O)c1ccccc1)C(=O)[O-] ZINC000424260404 1028916092 /nfs/dbraw/zinc/91/60/92/1028916092.db2.gz ZQTFTKUQLSHCMK-UHFFFAOYSA-N -1 0 347.455 3.683 20 0 EHADRM CC1(C)CCCC[C@H]1CC(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000502981045 1028941202 /nfs/dbraw/zinc/94/12/02/1028941202.db2.gz ISPRKJQIDLQNFE-ZDUSSCGKSA-N -1 0 329.400 3.575 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@H](CC(=O)[O-])C2)c(C)n1C1CCCCC1 ZINC000532875823 1028960138 /nfs/dbraw/zinc/96/01/38/1028960138.db2.gz PUUBKZHEADJCPX-MRXNPFEDSA-N -1 0 346.471 3.937 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 ZINC000532874923 1028960714 /nfs/dbraw/zinc/96/07/14/1028960714.db2.gz MMQUVFXNCRGBLK-AWEZNQCLSA-N -1 0 349.858 3.865 20 0 EHADRM Cc1nc2sccn2c1-c1noc(-c2cc(Cl)ccc2[O-])n1 ZINC000445641723 1029004272 /nfs/dbraw/zinc/00/42/72/1029004272.db2.gz ZVPGFECJIPJIJM-UHFFFAOYSA-N -1 0 332.772 3.780 20 0 EHADRM C[C@@H]1CCC[C@@H](N(C)C(=O)N=c2[n-]nc(-c3ccsc3)s2)C1 ZINC000503057602 1029013460 /nfs/dbraw/zinc/01/34/60/1029013460.db2.gz YFDNQUNOCXQDIJ-ZYHUDNBSSA-N -1 0 336.486 3.731 20 0 EHADRM C[C@@H]1CC[C@@H](O)CN1C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000422035762 1029021109 /nfs/dbraw/zinc/02/11/09/1029021109.db2.gz PFMWXZTVXBOGBB-IUODEOHRSA-N -1 0 345.826 3.698 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N[C@H](C)c1cc2ccccc2o1)C(=O)[O-] ZINC000424385557 1029039512 /nfs/dbraw/zinc/03/95/12/1029039512.db2.gz GPVONALQGKXKOJ-OCCSQVGLSA-N -1 0 332.400 3.540 20 0 EHADRM CCC(CC)(CNC(=O)N(Cc1ccco1)C1CCCC1)C(=O)[O-] ZINC000424423442 1029048459 /nfs/dbraw/zinc/04/84/59/1029048459.db2.gz HLXMBCQRTINPOE-UHFFFAOYSA-N -1 0 336.432 3.625 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@@H](C)Cc1ccccc1F ZINC000237363574 1029052356 /nfs/dbraw/zinc/05/23/56/1029052356.db2.gz UYVDMLNLCGSPLF-KSSFIOAISA-N -1 0 343.398 3.645 20 0 EHADRM CCN(C(=O)NC[C@H](CC(C)C)C(=O)[O-])[C@H](C)c1ccc(F)cc1 ZINC000424406826 1029053582 /nfs/dbraw/zinc/05/35/82/1029053582.db2.gz GRCHDYLAMJFRIK-HIFRSBDPSA-N -1 0 338.423 3.665 20 0 EHADRM CC(C)[C@H](c1ccc(F)cc1)N(C)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424407759 1029053633 /nfs/dbraw/zinc/05/36/33/1029053633.db2.gz TZHDUCQXYIJDGY-OAHLLOKOSA-N -1 0 338.423 3.665 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)Nc1ccc(Cl)cc1Cl ZINC000319621749 1029054266 /nfs/dbraw/zinc/05/42/66/1029054266.db2.gz FLEIAIVNYITTBX-PLMOITTCSA-N -1 0 343.210 3.710 20 0 EHADRM COCc1cc(NC(=O)CC(C)(C)CC(F)F)cc(C(=O)[O-])c1 ZINC000909627412 1029057397 /nfs/dbraw/zinc/05/73/97/1029057397.db2.gz TVPOHICRRQNEEU-UHFFFAOYSA-N -1 0 329.343 3.541 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccnn2[C@@H](C)CC(C)C)c(C)c1 ZINC000524297750 1029058944 /nfs/dbraw/zinc/05/89/44/1029058944.db2.gz YDXRJBBMMWYSCM-HNNXBMFYSA-N -1 0 335.473 3.908 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccnn2[C@@H](C)CC(C)C)s1 ZINC000524297746 1029060078 /nfs/dbraw/zinc/06/00/78/1029060078.db2.gz XYUPFJGWGBDQCQ-LBPRGKRZSA-N -1 0 341.502 3.915 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CC[C@@H]1c1ccc(Cl)cc1)C(=O)[O-] ZINC000424426656 1029070224 /nfs/dbraw/zinc/07/02/24/1029070224.db2.gz TYVJIINOIQCMBD-UKRRQHHQSA-N -1 0 338.835 3.543 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc(-c2nccs2)cc1)C(=O)[O-] ZINC000424461678 1029078451 /nfs/dbraw/zinc/07/84/51/1029078451.db2.gz ACXUEMXFWSEPIN-UHFFFAOYSA-N -1 0 347.440 3.823 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000237422813 1029215553 /nfs/dbraw/zinc/21/55/53/1029215553.db2.gz SVUIVFRYYVKREH-CQSZACIVSA-N -1 0 343.448 3.962 20 0 EHADRM O=C(N=c1nc(-c2ccccc2)[n-]s1)c1c[nH]cc1-c1ccccc1 ZINC000524486204 1029227361 /nfs/dbraw/zinc/22/73/61/1029227361.db2.gz JZZWDEZXAVQAEA-UHFFFAOYSA-N -1 0 346.415 3.874 20 0 EHADRM CCN(C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])[C@H](C)C(C)C ZINC000615005553 1029229574 /nfs/dbraw/zinc/22/95/74/1029229574.db2.gz AWWJSEYWJWPDCG-GFCCVEGCSA-N -1 0 335.835 3.738 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)CCc1ccc(Cl)cc1 ZINC000271962690 1029248665 /nfs/dbraw/zinc/24/86/65/1029248665.db2.gz NKRHGTKAUQRZTQ-UHFFFAOYSA-N -1 0 325.836 3.814 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)NC2CC(C)(F)C2)s1)c1ccccc1 ZINC000454748899 1029265485 /nfs/dbraw/zinc/26/54/85/1029265485.db2.gz XSPPBRLJKRJRAU-UIORMTCPSA-N -1 0 348.447 3.514 20 0 EHADRM O=C([O-])CC1(CNC(=O)CCc2ccccc2Cl)CCCCC1 ZINC000320370456 1029277526 /nfs/dbraw/zinc/27/75/26/1029277526.db2.gz IVMFFTIHZIWSMN-UHFFFAOYSA-N -1 0 337.847 3.814 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)Nc1ccc(Cl)cc1 ZINC000320594960 1029309516 /nfs/dbraw/zinc/30/95/16/1029309516.db2.gz XTWLBSVCBNTCKH-HNNXBMFYSA-N -1 0 330.771 3.556 20 0 EHADRM C[C@H]1CCN(C(=O)C[C@](C)(C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000634882800 1029325717 /nfs/dbraw/zinc/32/57/17/1029325717.db2.gz WPYIJLKPXZOVQM-QFYYESIMSA-N -1 0 344.238 3.594 20 0 EHADRM Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000634886843 1029387818 /nfs/dbraw/zinc/38/78/18/1029387818.db2.gz RKLFPJSKOLBGRP-OWCLPIDISA-N -1 0 343.448 3.567 20 0 EHADRM CCN(Cc1cccc(F)c1)C(=O)CCc1ccccc1C(=O)[O-] ZINC000347381839 1029406228 /nfs/dbraw/zinc/40/62/28/1029406228.db2.gz IRWFPALPEKCXSQ-UHFFFAOYSA-N -1 0 329.371 3.505 20 0 EHADRM O=C(CCCc1ncc(-c2ccccc2)o1)NOCCC(F)(F)F ZINC000162760615 1029408938 /nfs/dbraw/zinc/40/89/38/1029408938.db2.gz NPWUFASDHJJLEE-UHFFFAOYSA-N -1 0 342.317 3.665 20 0 EHADRM CCSc1cccc([N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000505280308 1029434363 /nfs/dbraw/zinc/43/43/63/1029434363.db2.gz IZSUEGWVSKISER-UHFFFAOYSA-N -1 0 329.393 3.878 20 0 EHADRM O=S(=O)([N-]c1ccccc1Oc1ccccc1Cl)c1c[nH]cn1 ZINC000261403174 1029443037 /nfs/dbraw/zinc/44/30/37/1029443037.db2.gz FBGHIUBUKGXCMY-UHFFFAOYSA-N -1 0 349.799 3.656 20 0 EHADRM CCc1oc(C(=O)N2C[C@H](C)C[C@H]2c2ccccc2F)cc1C(=O)[O-] ZINC000261607968 1029460968 /nfs/dbraw/zinc/46/09/68/1029460968.db2.gz DYXCPZGUFYQUML-ABAIWWIYSA-N -1 0 345.370 3.903 20 0 EHADRM CCc1oc(C(=O)N2C[C@H](c3ccccc3C)C[C@H]2C)cc1C(=O)[O-] ZINC000261642146 1029465880 /nfs/dbraw/zinc/46/58/80/1029465880.db2.gz LBLZYZKLPSLSIG-ZIAGYGMSSA-N -1 0 341.407 3.867 20 0 EHADRM CCc1oc(C(=O)N2C[C@H](C)C[C@H]2c2cccc(F)c2)cc1C(=O)[O-] ZINC000261621942 1029478093 /nfs/dbraw/zinc/47/80/93/1029478093.db2.gz HVZFXWCJVLXZER-ABAIWWIYSA-N -1 0 345.370 3.903 20 0 EHADRM CCc1oc(C(=O)N2CC[C@H](C)C[C@H]2c2ccco2)cc1C(=O)[O-] ZINC000261737808 1029494762 /nfs/dbraw/zinc/49/47/62/1029494762.db2.gz ZCFVMKCGQOQVQW-AAEUAGOBSA-N -1 0 331.368 3.747 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)cc1Cl ZINC000513815676 1029518039 /nfs/dbraw/zinc/51/80/39/1029518039.db2.gz YXULOEHKSFJPSW-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM C[C@@H](O)C[C@@H]1CCCCCN1C(=O)c1cc2ccccc2cc1O ZINC000286675347 1029532468 /nfs/dbraw/zinc/53/24/68/1029532468.db2.gz FRJIMULRXUQNLM-PBHICJAKSA-N -1 0 327.424 3.701 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cc1OCC1CC1)c1cccc(F)c1 ZINC000524852914 1029565007 /nfs/dbraw/zinc/56/50/07/1029565007.db2.gz SMHIXBVNNZPNBW-UHFFFAOYSA-N -1 0 339.363 3.554 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCC[C@@H]2Cc2ccccc2)s1 ZINC000262566490 1029605563 /nfs/dbraw/zinc/60/55/63/1029605563.db2.gz BLXFAIYFOGMROE-CQSZACIVSA-N -1 0 329.421 3.684 20 0 EHADRM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000533307425 1029610600 /nfs/dbraw/zinc/61/06/00/1029610600.db2.gz WXUICGDSMHZCKB-AWEZNQCLSA-N -1 0 336.439 3.609 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc(C3CCC3)cc2)C[C@H]1c1ccccc1 ZINC000262799574 1029635984 /nfs/dbraw/zinc/63/59/84/1029635984.db2.gz CNITVCCVFKHDBM-VQTJNVASSA-N -1 0 349.430 3.895 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)cc1 ZINC000262877759 1029647834 /nfs/dbraw/zinc/64/78/34/1029647834.db2.gz BOJYLYGQHMCJJT-JSGCOSHPSA-N -1 0 329.421 3.659 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccc(F)cc1OCC1CC1 ZINC000525019647 1029653414 /nfs/dbraw/zinc/65/34/14/1029653414.db2.gz ZPEOLTQNLAGWJD-UHFFFAOYSA-N -1 0 341.429 3.785 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(CCC(F)(F)F)cc2)C1 ZINC000263043083 1029660213 /nfs/dbraw/zinc/66/02/13/1029660213.db2.gz QLCCJGKSXAEHOD-MRXNPFEDSA-N -1 0 343.345 3.508 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000263051796 1029661161 /nfs/dbraw/zinc/66/11/61/1029661161.db2.gz DZETXYQVULFUGK-KDOFPFPSSA-N -1 0 341.407 3.979 20 0 EHADRM Cc1cc(CN=c2[n-]nc(-c3ccccc3)o2)c(OC(F)F)cc1C ZINC000508565877 1029663885 /nfs/dbraw/zinc/66/38/85/1029663885.db2.gz FOUKUEQXCONKRP-UHFFFAOYSA-N -1 0 345.349 3.989 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)CCCOc1ccccc1Cl ZINC000263082703 1029664238 /nfs/dbraw/zinc/66/42/38/1029664238.db2.gz UYIBPPRVESDKNU-KRWDZBQOSA-N -1 0 341.835 3.505 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1 ZINC000263087561 1029665083 /nfs/dbraw/zinc/66/50/83/1029665083.db2.gz DHQMPCLRTSELRW-WDSOQIARSA-N -1 0 343.467 3.920 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)s1 ZINC000263205672 1029674423 /nfs/dbraw/zinc/67/44/23/1029674423.db2.gz MWXVMZWZKTXABE-NEPJUHHUSA-N -1 0 335.812 3.520 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc(C3CCC3)cc2)Cc2ccccc21 ZINC000263236010 1029678446 /nfs/dbraw/zinc/67/84/46/1029678446.db2.gz CVYQXTAMRBNFRK-LJQANCHMSA-N -1 0 335.403 3.778 20 0 EHADRM Cc1nc([C@H](C)NC(=O)[C@H](C)Cc2ccc(C)cc2)sc1C(=O)[O-] ZINC000263252273 1029679566 /nfs/dbraw/zinc/67/95/66/1029679566.db2.gz HMFIFMKRYYSKIV-YPMHNXCESA-N -1 0 346.452 3.514 20 0 EHADRM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)CC2(C(=O)[O-])CCC2)cc1 ZINC000263281210 1029683467 /nfs/dbraw/zinc/68/34/67/1029683467.db2.gz OKZVCBJHQZGECG-YJBOKZPZSA-N -1 0 329.440 3.940 20 0 EHADRM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)CC2(C(=O)[O-])CCC2)cc1 ZINC000263281206 1029683591 /nfs/dbraw/zinc/68/35/91/1029683591.db2.gz OKZVCBJHQZGECG-MAUKXSAKSA-N -1 0 329.440 3.940 20 0 EHADRM CCC[C@H](CNC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000263284116 1029683810 /nfs/dbraw/zinc/68/38/10/1029683810.db2.gz ZBTJNWQCDZFAMF-WCQYABFASA-N -1 0 345.361 3.501 20 0 EHADRM CC(C)Sc1ccccc1C(=O)NCc1ccc(C(=O)[O-])s1 ZINC000263284851 1029683869 /nfs/dbraw/zinc/68/38/69/1029683869.db2.gz XVRYCKCAXIRRFS-UHFFFAOYSA-N -1 0 335.450 3.877 20 0 EHADRM C/C=C/C[C@H](NC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000263296309 1029684646 /nfs/dbraw/zinc/68/46/46/1029684646.db2.gz SOURSCLVASWOJV-BDJMRYJRSA-N -1 0 330.211 3.633 20 0 EHADRM CC(C)c1cc(C(=O)N2CCC(CC(=O)[O-])CC2)c2ccccc2n1 ZINC000263295030 1029684841 /nfs/dbraw/zinc/68/48/41/1029684841.db2.gz XTLGDLVESFHCKW-UHFFFAOYSA-N -1 0 340.423 3.685 20 0 EHADRM CCOc1ccccc1-c1cccc(C(=O)N(C)C(C)(C)C(=O)[O-])c1 ZINC000263292117 1029685083 /nfs/dbraw/zinc/68/50/83/1029685083.db2.gz WRRXJOXQIMRUDM-UHFFFAOYSA-N -1 0 341.407 3.688 20 0 EHADRM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000263319413 1029688246 /nfs/dbraw/zinc/68/82/46/1029688246.db2.gz IJXUMIHVAXJALK-YJBOKZPZSA-N -1 0 337.419 3.640 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)cc1 ZINC000263327304 1029688817 /nfs/dbraw/zinc/68/88/17/1029688817.db2.gz OYEQVGZAVXTMNV-BPNCWPANSA-N -1 0 345.345 3.895 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)c1 ZINC000263324374 1029689741 /nfs/dbraw/zinc/68/97/41/1029689741.db2.gz OGRMBIQFSJDCOK-YMRXKLBXSA-N -1 0 327.355 3.756 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N2CCCC[C@@H]2c2ccccc2)cc1 ZINC000263353348 1029690173 /nfs/dbraw/zinc/69/01/73/1029690173.db2.gz IHMRRYQGSHCATF-GOSISDBHSA-N -1 0 338.407 3.822 20 0 EHADRM COc1cccc([C@@H](C)C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c1 ZINC000263289912 1029690721 /nfs/dbraw/zinc/69/07/21/1029690721.db2.gz LYKNCCOITDUHMX-CHWSQXEVSA-N -1 0 327.380 3.626 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)C2(c3ccccc3F)CC2)c1 ZINC000263366330 1029691382 /nfs/dbraw/zinc/69/13/82/1029691382.db2.gz ZYNVOHNSIGLOGU-LBPRGKRZSA-N -1 0 327.355 3.684 20 0 EHADRM CC1(C)C[N@H+](Cc2cccc(C(=O)[O-])c2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000263428872 1029695800 /nfs/dbraw/zinc/69/58/00/1029695800.db2.gz RLMXSKYVKYEOAN-LIVBEALHSA-N -1 0 329.440 3.554 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-] ZINC000263451426 1029699028 /nfs/dbraw/zinc/69/90/28/1029699028.db2.gz OHHIQPDMAKBKHF-UNEWFSDZSA-N -1 0 335.419 3.544 20 0 EHADRM CC(C)CC(=O)Nc1ccc(NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000263442629 1029699360 /nfs/dbraw/zinc/69/93/60/1029699360.db2.gz DZZSWCUNFPNNAF-UHFFFAOYSA-N -1 0 326.396 3.982 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000263467108 1029700541 /nfs/dbraw/zinc/70/05/41/1029700541.db2.gz WWMQWLXDUKMYNP-UHFFFAOYSA-N -1 0 343.427 3.822 20 0 EHADRM CCc1oc(C(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1C(=O)[O-] ZINC000263512584 1029705503 /nfs/dbraw/zinc/70/55/03/1029705503.db2.gz CTXPCLBCEIKESN-OCCSQVGLSA-N -1 0 345.370 3.745 20 0 EHADRM Cc1nc(C=Cc2csc3ccccc23)[nH]c(=O)c1CC(=O)[O-] ZINC000347392491 1029724579 /nfs/dbraw/zinc/72/45/79/1029724579.db2.gz RNVZUKGWVMPCJK-VOTSOKGWSA-N -1 0 326.377 3.503 20 0 EHADRM COc1ccc(-c2n[n-]c(=N[C@@H]3CCOC4(CCCC4)C3)s2)cc1 ZINC000583374723 1029734709 /nfs/dbraw/zinc/73/47/09/1029734709.db2.gz VRBQSKLVMYZXGZ-CQSZACIVSA-N -1 0 345.468 3.539 20 0 EHADRM CC/C(C)=C(\C)C(=O)Nc1cccc(-n2ncc(C(=O)[O-])c2C)c1 ZINC000909640799 1029778331 /nfs/dbraw/zinc/77/83/31/1029778331.db2.gz QZONSVQONBTHIM-VAWYXSNFSA-N -1 0 327.384 3.564 20 0 EHADRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cccc2ncccc12 ZINC000446765513 1029787809 /nfs/dbraw/zinc/78/78/09/1029787809.db2.gz DOIQHABBGWVLHM-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM CN(C(=O)N=c1[n-]nc(-c2ccco2)s1)C1CCC(C)(C)CC1 ZINC000446842960 1029822965 /nfs/dbraw/zinc/82/29/65/1029822965.db2.gz ZBPLHLMQIZJATK-UHFFFAOYSA-N -1 0 334.445 3.653 20 0 EHADRM CC(C)c1n[n-]c(=NCc2ccncc2OCc2ccccc2)s1 ZINC000343227450 1029827577 /nfs/dbraw/zinc/82/75/77/1029827577.db2.gz WDTYWGRLAVEMDQ-UHFFFAOYSA-N -1 0 340.452 3.670 20 0 EHADRM c1cc(-c2ncc(CN=c3[n-]nc(-c4ccccc4)o3)s2)cs1 ZINC000508574622 1029841961 /nfs/dbraw/zinc/84/19/61/1029841961.db2.gz ACBZIGPJALVYQM-UHFFFAOYSA-N -1 0 340.433 3.956 20 0 EHADRM CCS(=O)(=O)[N-]c1nc(C)c(Cc2cccc(Cl)c2F)s1 ZINC000446947903 1029855747 /nfs/dbraw/zinc/85/57/47/1029855747.db2.gz JUDPGDDGPAWKRZ-UHFFFAOYSA-N -1 0 348.852 3.596 20 0 EHADRM Cc1ccc(CN=c2[n-]nc(Cc3ccccc3F)o2)cc1Cl ZINC000446942773 1029861884 /nfs/dbraw/zinc/86/18/84/1029861884.db2.gz FZHFTLKATRQSTB-UHFFFAOYSA-N -1 0 331.778 3.795 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1c(Cl)ccc(C)c1C ZINC000446973810 1029877473 /nfs/dbraw/zinc/87/74/73/1029877473.db2.gz UYWXPMXYVUBKEA-UHFFFAOYSA-N -1 0 331.846 3.828 20 0 EHADRM CC[C@@H](CNC(=O)c1c(C)ccc(C)c1C(=O)[O-])CC(F)(F)F ZINC000402517336 1029884179 /nfs/dbraw/zinc/88/41/79/1029884179.db2.gz JMVYVMUFJKHZSQ-LLVKDONJSA-N -1 0 331.334 3.710 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CCCOc1ccc(F)cc1F ZINC000120206648 1029946216 /nfs/dbraw/zinc/94/62/16/1029946216.db2.gz IVANALLLVMLIKK-UHFFFAOYSA-N -1 0 349.333 3.769 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@@H](C)CCc2ccc(OC(C)C)cc2)s[n-]1 ZINC000509698697 1029977267 /nfs/dbraw/zinc/97/72/67/1029977267.db2.gz MFMXIEVTUAHJOO-KBPBESRZSA-N -1 0 349.500 3.888 20 0 EHADRM C[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccccc1C#N)c1ccccc1 ZINC000042306199 1030096389 /nfs/dbraw/zinc/09/63/89/1030096389.db2.gz CTHKAHVOFLJXNM-AWEZNQCLSA-N -1 0 342.420 3.538 20 0 EHADRM CC(C)c1ccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2C#N)cc1 ZINC000042307148 1030109588 /nfs/dbraw/zinc/10/95/88/1030109588.db2.gz PIRHIEJZFPTSLD-UHFFFAOYSA-N -1 0 342.420 3.516 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)c1 ZINC000120853160 1030122561 /nfs/dbraw/zinc/12/25/61/1030122561.db2.gz LWGZRGDGOAHGFW-UHFFFAOYSA-N -1 0 333.306 3.954 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCc2ccccc2Cl)s1 ZINC000042317858 1030140048 /nfs/dbraw/zinc/14/00/48/1030140048.db2.gz CUFYGVXTVTXZHK-UHFFFAOYSA-N -1 0 343.857 3.988 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)NCc3cccs3)s2)c1 ZINC000481966326 1030146780 /nfs/dbraw/zinc/14/67/80/1030146780.db2.gz WHDGNXWJVCFIAL-UHFFFAOYSA-N -1 0 344.465 3.627 20 0 EHADRM CSc1ccc(O[C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000532001531 1030214571 /nfs/dbraw/zinc/21/45/71/1030214571.db2.gz DAUXKMGOGVQHPJ-GFCCVEGCSA-N -1 0 345.420 3.821 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C)c(Cl)c2)c1 ZINC000532003199 1030221315 /nfs/dbraw/zinc/22/13/15/1030221315.db2.gz MQJBGAAAAOIIJC-MRXNPFEDSA-N -1 0 347.798 3.603 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)Cc1coc2ccc3ccccc3c12)C(=O)[O-] ZINC000532004485 1030221442 /nfs/dbraw/zinc/22/14/42/1030221442.db2.gz FTINLPSHXYDRMI-CWTRNNRKSA-N -1 0 339.391 3.744 20 0 EHADRM O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1ccc(Cl)cc1[O-] ZINC000121375292 1030245399 /nfs/dbraw/zinc/24/53/99/1030245399.db2.gz UADXLUUUVQIVHQ-UHFFFAOYSA-N -1 0 344.798 3.534 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)on1 ZINC000583604271 1030265309 /nfs/dbraw/zinc/26/53/09/1030265309.db2.gz WIDITDZPLXKYSM-UHFFFAOYSA-N -1 0 346.811 3.707 20 0 EHADRM Cn1cc(-c2ccccc2CN=c2[n-]nc(-c3ccccc3)s2)cn1 ZINC000536085931 1030283076 /nfs/dbraw/zinc/28/30/76/1030283076.db2.gz WCAHLCNIRLCKOS-UHFFFAOYSA-N -1 0 347.447 3.640 20 0 EHADRM CO[C@@H](C)c1nc(=NCC(C)(C)c2cccc(Cl)c2)s[n-]1 ZINC000509654131 1030375971 /nfs/dbraw/zinc/37/59/71/1030375971.db2.gz WWRWYBVOHFQVOO-JTQLQIEISA-N -1 0 325.865 3.711 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)c3ccccc3)n2)cc1 ZINC000162926367 1030412060 /nfs/dbraw/zinc/41/20/60/1030412060.db2.gz YPWKPIPDCIEDGJ-UHFFFAOYSA-N -1 0 335.407 3.978 20 0 EHADRM CN(Cc1ccccc1NC(=O)c1ncccc1[O-])c1ccccc1 ZINC000447700367 1030432081 /nfs/dbraw/zinc/43/20/81/1030432081.db2.gz MGIHGHZIYLBZFT-UHFFFAOYSA-N -1 0 333.391 3.676 20 0 EHADRM COC(=O)c1csc(NC(=O)c2cc(O)c3ccccc3c2)c1 ZINC000526914409 1030490062 /nfs/dbraw/zinc/49/00/62/1030490062.db2.gz JFBOTJUFTJQCIF-UHFFFAOYSA-N -1 0 327.361 3.646 20 0 EHADRM O=C([O-])C1CCC(C(=O)N2CCC[C@H]2c2cccc(Cl)c2)CC1 ZINC000194392080 1030507552 /nfs/dbraw/zinc/50/75/52/1030507552.db2.gz XCPUHQYEINXLNX-ZUEPYMLJSA-N -1 0 335.831 3.895 20 0 EHADRM Fc1cc(-c2ccco2)ccc1CN=c1[n-]nc(C(F)(F)F)s1 ZINC000447815042 1030511855 /nfs/dbraw/zinc/51/18/55/1030511855.db2.gz BFDZCXUCZUFVRK-UHFFFAOYSA-N -1 0 343.305 3.990 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nnc(C3CCCCC3)o2)sc1C ZINC000278388484 1030537005 /nfs/dbraw/zinc/53/70/05/1030537005.db2.gz MQEOSCYKGRVPBY-UHFFFAOYSA-N -1 0 341.458 3.596 20 0 EHADRM O=C(Nc1cccc2cccnc21)c1ccc(Br)c([O-])c1 ZINC000159444242 1030555611 /nfs/dbraw/zinc/55/56/11/1030555611.db2.gz LQLRDODMQRFUGU-UHFFFAOYSA-N -1 0 343.180 3.955 20 0 EHADRM FC(F)c1n[n-]c(=NCc2csc(-c3ccc(Cl)cc3)n2)o1 ZINC000527046683 1030590513 /nfs/dbraw/zinc/59/05/13/1030590513.db2.gz WNBLNCAQGPJGKF-UHFFFAOYSA-N -1 0 342.758 3.818 20 0 EHADRM CCSc1n[n-]c(=NCc2cccc(-c3ccncc3)c2)s1 ZINC000447948843 1030599559 /nfs/dbraw/zinc/59/95/59/1030599559.db2.gz RUDPYTQRBAPQJS-UHFFFAOYSA-N -1 0 328.466 3.746 20 0 EHADRM C[C@@H]1C[C@@H](C)N(C(=O)N=c2[n-]nc(-c3cc4ccccc4o3)s2)C1 ZINC000527056998 1030608683 /nfs/dbraw/zinc/60/86/83/1030608683.db2.gz UZBSQLYACPWOAK-GHMZBOCLSA-N -1 0 342.424 3.635 20 0 EHADRM C[C@H]1CCC[C@H](C)N(C(=O)N=c2nc(-c3ccsc3)[n-]s2)C1 ZINC000448005915 1030661320 /nfs/dbraw/zinc/66/13/20/1030661320.db2.gz XIHHLMMPKCHUFP-QWRGUYRKSA-N -1 0 336.486 3.731 20 0 EHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1cccc2cc(C)cnc21 ZINC000194216731 1030701710 /nfs/dbraw/zinc/70/17/10/1030701710.db2.gz XHZSVGOIWLTNSY-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM COC1(CCN=c2[n-]nc(Cc3ccc(Cl)cc3)s2)CCC1 ZINC000583792603 1030754464 /nfs/dbraw/zinc/75/44/64/1030754464.db2.gz HUDSNGLWDIAKOM-UHFFFAOYSA-N -1 0 337.876 3.575 20 0 EHADRM COC(=O)c1nc2ccccc2cc1Nc1ccc(C)c(C(=O)[O-])c1 ZINC001211599597 1030852492 /nfs/dbraw/zinc/85/24/92/1030852492.db2.gz PMUVMMSEKPZLAD-UHFFFAOYSA-N -1 0 336.347 3.772 20 0 EHADRM CCOC(=O)c1ncc(Nc2ccc(C)c(C(=O)[O-])c2)cc1Cl ZINC001211599382 1030860458 /nfs/dbraw/zinc/86/04/58/1030860458.db2.gz IRBDGMVIPPFUDD-UHFFFAOYSA-N -1 0 334.759 3.662 20 0 EHADRM COc1ccccc1C(C)(C)NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000194585646 1030923542 /nfs/dbraw/zinc/92/35/42/1030923542.db2.gz ZYEGRUZAHAKJPV-UHFFFAOYSA-N -1 0 337.778 3.858 20 0 EHADRM CCOc1ccccc1-c1cccc(C(=O)NC[C@H](C)CC(=O)[O-])c1 ZINC000262852163 1030934472 /nfs/dbraw/zinc/93/44/72/1030934472.db2.gz BZWMSVFBEVFZIL-CQSZACIVSA-N -1 0 341.407 3.593 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@H](C)c2ccc(OCC(=O)[O-])cc2)s1 ZINC000455885785 1030959463 /nfs/dbraw/zinc/95/94/63/1030959463.db2.gz OTKFIJRHFJJANI-GFCCVEGCSA-N -1 0 347.436 3.826 20 0 EHADRM Cc1noc(C)c1CSCC(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000160738295 1030971523 /nfs/dbraw/zinc/97/15/23/1030971523.db2.gz VRJIWYBDEQFEBQ-UHFFFAOYSA-N -1 0 349.437 3.593 20 0 EHADRM COc1cccc([C@@H](C)CCCC(=O)N=c2ccc(C3CC3)n[n-]2)c1 ZINC000448353025 1030973716 /nfs/dbraw/zinc/97/37/16/1030973716.db2.gz WJEUAQPSQAOJSF-AWEZNQCLSA-N -1 0 339.439 3.697 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)N[C@H](c1ccccc1)C1CC1 ZINC000448359463 1030980941 /nfs/dbraw/zinc/98/09/41/1030980941.db2.gz MNLNUSFJBNSPFQ-HXUWFJFHSA-N -1 0 344.418 3.838 20 0 EHADRM CC(C)c1csc([C@H]2CCCN(c3ccnc(C(=O)[O-])c3)C2)n1 ZINC000650765622 1030980887 /nfs/dbraw/zinc/98/08/87/1030980887.db2.gz YXHYULQCKDDRGM-LBPRGKRZSA-N -1 0 331.441 3.744 20 0 EHADRM CCc1ccc(C(=O)[O-])cc1NCc1ccccc1OCCOC ZINC000551055968 1030989560 /nfs/dbraw/zinc/98/95/60/1030989560.db2.gz YHSALQHWFIGDGS-UHFFFAOYSA-N -1 0 329.396 3.585 20 0 EHADRM COc1cc(C(=O)[O-])cc(NCc2cccc(OC(C)C)c2)c1OC ZINC000551057823 1030995107 /nfs/dbraw/zinc/99/51/07/1030995107.db2.gz FZXAESVCHDSYBD-UHFFFAOYSA-N -1 0 345.395 3.801 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)N[C@H]1CSc2ccccc21 ZINC000448367580 1031019682 /nfs/dbraw/zinc/01/96/82/1031019682.db2.gz ROTHXFRBVSZPEG-INIZCTEOSA-N -1 0 348.431 3.534 20 0 EHADRM Cc1ccc(-c2ncc(CN=c3[n-]ncn3-c3ccccc3)s2)cc1 ZINC000551084953 1031026571 /nfs/dbraw/zinc/02/65/71/1031026571.db2.gz JOADYRBQASGBQU-UHFFFAOYSA-N -1 0 347.447 3.733 20 0 EHADRM CC(C)(C)c1cnc([N-]S(=O)(=O)c2ccc3ncccc3c2)s1 ZINC000476943202 1031089734 /nfs/dbraw/zinc/08/97/34/1031089734.db2.gz UCWLSTJYXFKBSE-UHFFFAOYSA-N -1 0 347.465 3.790 20 0 EHADRM CCCOc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)on2)cc1 ZINC000476937651 1031100180 /nfs/dbraw/zinc/10/01/80/1031100180.db2.gz LNXHRTKQNYQKCF-UHFFFAOYSA-N -1 0 338.429 3.562 20 0 EHADRM O=C(N=c1cc(-c2ccccc2F)o[nH]1)c1nccc2ccccc21 ZINC000448491658 1031136378 /nfs/dbraw/zinc/13/63/78/1031136378.db2.gz ILYXZZGQRBWWCZ-UHFFFAOYSA-N -1 0 333.322 3.703 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCCC[C@@H]3C)n2)cc1 ZINC000174965293 1031262803 /nfs/dbraw/zinc/26/28/03/1031262803.db2.gz KFVJYILKHDMZQB-AWEZNQCLSA-N -1 0 327.428 3.716 20 0 EHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)[C@H](C)Cc1cccc(Cl)c1 ZINC000262913993 1031289767 /nfs/dbraw/zinc/28/97/67/1031289767.db2.gz IYILKKXHKIKJDB-SJKOYZFVSA-N -1 0 325.836 3.524 20 0 EHADRM Cc1coc(-c2ccc(C)c([N-]S(=O)(=O)c3cccs3)c2)n1 ZINC000161078291 1031304197 /nfs/dbraw/zinc/30/41/97/1031304197.db2.gz OQFIERFUQFXQJI-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)c1coc2cc(F)ccc12 ZINC000483819366 1031353801 /nfs/dbraw/zinc/35/38/01/1031353801.db2.gz NCCFCVFXQQPWQH-UHFFFAOYSA-N -1 0 333.322 3.703 20 0 EHADRM CC[N@H+](Cc1coc(-c2ccccc2)n1)C1CCC(C(=O)[O-])CC1 ZINC000515357250 1031359149 /nfs/dbraw/zinc/35/91/49/1031359149.db2.gz XZUOSSUXWCRXBW-UHFFFAOYSA-N -1 0 328.412 3.807 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000668281093 1031375892 /nfs/dbraw/zinc/37/58/92/1031375892.db2.gz MJIIHNSGWAJTMP-SNVBAGLBSA-N -1 0 331.334 3.510 20 0 EHADRM COC(=O)c1c[nH]c(S[C@@H](C)c2ccc(OC(F)F)cc2)n1 ZINC000278562773 1031386382 /nfs/dbraw/zinc/38/63/82/1031386382.db2.gz CRJGAWAXDFZHQZ-QMMMGPOBSA-N -1 0 328.340 3.651 20 0 EHADRM CO[C@](C)(C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1)c1ccccc1F ZINC000668292436 1031408330 /nfs/dbraw/zinc/40/83/30/1031408330.db2.gz HCRZIRDCPSJKDN-BUXKBTBVSA-N -1 0 345.370 3.514 20 0 EHADRM CC(C)CN(CC(C)C)C(=O)N=c1[n-]nc(/C=C\c2ccco2)s1 ZINC000484049230 1031438365 /nfs/dbraw/zinc/43/83/65/1031438365.db2.gz VAYZLGNFUNBKPJ-FPLPWBNLSA-N -1 0 348.472 3.869 20 0 EHADRM C[C@H](C(=O)N=c1ccc(C(F)(F)F)n[n-]1)c1ccc2ccccc2c1 ZINC000484145905 1031470531 /nfs/dbraw/zinc/47/05/31/1031470531.db2.gz NGEOYHKBSSWDRP-NSHDSACASA-N -1 0 345.324 3.813 20 0 EHADRM Cc1ccc(Nc2cc(OC(F)(F)F)ccc2N)cc1C(=O)[O-] ZINC001211607931 1031544901 /nfs/dbraw/zinc/54/49/01/1031544901.db2.gz DQNZPNPOYNTDHR-UHFFFAOYSA-N -1 0 326.274 3.918 20 0 EHADRM Cc1ccccc1-c1nc(=N[C@H]2CCCC23CCOCC3)s[n-]1 ZINC000528006446 1031576604 /nfs/dbraw/zinc/57/66/04/1031576604.db2.gz WRPLCNIUZKLGJT-HNNXBMFYSA-N -1 0 329.469 3.697 20 0 EHADRM CC[C@@H](Cc1ccc(NCc2cn3cccc(F)c3n2)cc1)C(=O)[O-] ZINC000904015244 1031600105 /nfs/dbraw/zinc/60/01/05/1031600105.db2.gz JNODGTCULJBXPU-AWEZNQCLSA-N -1 0 341.386 3.739 20 0 EHADRM O=C([O-])[C@@H](NCc1nccc2c1CCCC2)c1ccccc1Cl ZINC000904025566 1031669978 /nfs/dbraw/zinc/66/99/78/1031669978.db2.gz IGFMKMFOZRIMBJ-KRWDZBQOSA-N -1 0 330.815 3.529 20 0 EHADRM CC[C@@H](NCc1ccc(F)cc1C(F)(F)F)c1nc(C(=O)[O-])c[nH]1 ZINC000904066181 1031692539 /nfs/dbraw/zinc/69/25/39/1031692539.db2.gz ZQZOIHYLEOQZGH-LLVKDONJSA-N -1 0 345.296 3.507 20 0 EHADRM Cc1ccc(CN[C@H](C(=O)[O-])c2csc(Br)c2)s1 ZINC000904072150 1031701132 /nfs/dbraw/zinc/70/11/32/1031701132.db2.gz UYXQYONYGHHAOS-NSHDSACASA-N -1 0 346.271 3.796 20 0 EHADRM Cc1ccccc1[C@@H]1CN(C(=O)c2cc(F)c([O-])c(F)c2)[C@@H](C)CO1 ZINC000180075488 1031837534 /nfs/dbraw/zinc/83/75/34/1031837534.db2.gz LHLDEBGLXBMCKI-SJCJKPOMSA-N -1 0 347.361 3.581 20 0 EHADRM O=C([O-])N[C@H]1C[C@H](Nc2cccc(N3CCCCC3)c2)C12CCC2 ZINC000904199686 1031847181 /nfs/dbraw/zinc/84/71/81/1031847181.db2.gz RKZHPZWYKRVZKE-IRXDYDNUSA-N -1 0 329.444 3.668 20 0 EHADRM Cc1ccnc(C)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C ZINC000460551980 1031850695 /nfs/dbraw/zinc/85/06/95/1031850695.db2.gz FVVDMPZNJAPRGB-UHFFFAOYSA-N -1 0 344.358 3.826 20 0 EHADRM COc1ccc(C)cc1[N-]S(=O)(=O)c1cccc2ccc(C)nc21 ZINC000566894338 1031863021 /nfs/dbraw/zinc/86/30/21/1031863021.db2.gz CVOFTSNAYWTBNI-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM O=C(Nc1n[nH]c2c1cccc2Cl)c1cc(F)c(F)c([O-])c1F ZINC000180181679 1031866062 /nfs/dbraw/zinc/86/60/62/1031866062.db2.gz UKEJUOVJIWGQMS-UHFFFAOYSA-N -1 0 341.676 3.592 20 0 EHADRM CC(C)c1ccsc1C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000448992780 1032001560 /nfs/dbraw/zinc/00/15/60/1032001560.db2.gz LPKZVSHBVKREBT-HZPDHXFCSA-N -1 0 343.448 3.812 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000455820861 1032024796 /nfs/dbraw/zinc/02/47/96/1032024796.db2.gz CCUCLLVCXDNHDA-UHFFFAOYSA-N -1 0 337.725 3.734 20 0 EHADRM CCCOc1cccc(CN=c2[n-]nc(Cc3cccc(F)c3)o2)c1 ZINC000537489067 1033360349 /nfs/dbraw/zinc/36/03/49/1033360349.db2.gz GNICEKLLTAPKMK-UHFFFAOYSA-N -1 0 341.386 3.622 20 0 EHADRM Cc1cc(Br)ccc1CN=c1[n-]nc(CC(C)(C)C)o1 ZINC000537490637 1033380692 /nfs/dbraw/zinc/38/06/92/1033380692.db2.gz NHPUFQLPPLDDMG-UHFFFAOYSA-N -1 0 338.249 3.763 20 0 EHADRM COC(=O)c1cc(Cl)cc(Nc2ccc(C(=O)[O-])cc2C)c1O ZINC001211624841 1033409160 /nfs/dbraw/zinc/40/91/60/1033409160.db2.gz WCPMARUWXRVATC-UHFFFAOYSA-N -1 0 335.743 3.582 20 0 EHADRM CO[C@H](CN=c1[n-]c(-c2ccccc2)no1)c1ccc(Cl)cc1 ZINC000608090049 1033486713 /nfs/dbraw/zinc/48/67/13/1033486713.db2.gz PNQIMSBAWQYMFR-OAHLLOKOSA-N -1 0 329.787 3.612 20 0 EHADRM CCOc1ccccc1NC(=O)c1ccc(Br)cc1[O-] ZINC000044490312 1033497195 /nfs/dbraw/zinc/49/71/95/1033497195.db2.gz CJOOYACFSDYTFQ-UHFFFAOYSA-N -1 0 336.185 3.806 20 0 EHADRM Cn1c(CN=c2[n-]nc(C3CCCCC3)o2)nc2ccc(Cl)cc21 ZINC000537505995 1033513134 /nfs/dbraw/zinc/51/31/34/1033513134.db2.gz BBCGTPADJYATEV-UHFFFAOYSA-N -1 0 345.834 3.691 20 0 EHADRM C[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(Br)c(F)cc1[O-] ZINC000449984495 1033520869 /nfs/dbraw/zinc/52/08/69/1033520869.db2.gz IHFNJMODNZWCAW-DTWKUNHWSA-N -1 0 330.197 3.554 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)Nc1ncc(-c2ccccc2)s1)C1CCC1 ZINC000574866141 1033684098 /nfs/dbraw/zinc/68/40/98/1033684098.db2.gz GYGFLHRABKHHCL-LLVKDONJSA-N -1 0 345.424 3.670 20 0 EHADRM COc1ccc([C@@H](C)CCNC(=O)c2c([O-])cc(F)cc2F)cc1 ZINC000608441198 1033690786 /nfs/dbraw/zinc/69/07/86/1033690786.db2.gz FBIHYXPCMMIATM-NSHDSACASA-N -1 0 335.350 3.603 20 0 EHADRM O=C([O-])[C@H]1CCCCCN1C(=O)Nc1ccc(Cl)cc1Cl ZINC000080990571 1033696987 /nfs/dbraw/zinc/69/69/87/1033696987.db2.gz DWPMGHOYXOBHKA-GFCCVEGCSA-N -1 0 331.199 3.855 20 0 EHADRM CSCc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)cc1 ZINC000595246247 1033718880 /nfs/dbraw/zinc/71/88/80/1033718880.db2.gz XYSQJKXSJKPPJU-IXDOHACOSA-N -1 0 347.480 3.655 20 0 EHADRM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000460412004 1033755155 /nfs/dbraw/zinc/75/51/55/1033755155.db2.gz MUUZWIGTDPFGGM-UHFFFAOYSA-N -1 0 347.436 3.788 20 0 EHADRM CCSc1cccc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000603719832 1033880230 /nfs/dbraw/zinc/88/02/30/1033880230.db2.gz CXYXXAXZMBNRMP-INIZCTEOSA-N -1 0 329.421 3.996 20 0 EHADRM Cc1ccc(OCCCC(=O)[N-]S(=O)(=O)c2ccccc2C)cc1 ZINC000046928039 1033893799 /nfs/dbraw/zinc/89/37/99/1033893799.db2.gz ODAWPVBDDOFWFR-UHFFFAOYSA-N -1 0 347.436 3.808 20 0 EHADRM O=S(=O)(Cc1ccccc1)[N-][C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000118435295 1034009750 /nfs/dbraw/zinc/00/97/50/1034009750.db2.gz VYKBXAUSRYBDTQ-AWEZNQCLSA-N -1 0 347.333 3.549 20 0 EHADRM Cc1oc([C@H](C)N2C[C@@H](C)O[C@H](c3ccccc3)C2)cc1C(=O)[O-] ZINC000517035207 1034120800 /nfs/dbraw/zinc/12/08/00/1034120800.db2.gz HDDUTRVIWQIKNV-VBHSOAQHSA-N -1 0 329.396 3.809 20 0 EHADRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C)s2)c1C1CC1 ZINC000534237125 1034277036 /nfs/dbraw/zinc/27/70/36/1034277036.db2.gz IROREOWVSOZSMO-SNVBAGLBSA-N -1 0 339.486 3.902 20 0 EHADRM O=C(NCC(C1CCC1)C1CCC1)c1cc(F)c(F)c([O-])c1F ZINC000529614904 1034300985 /nfs/dbraw/zinc/30/09/85/1034300985.db2.gz ULNWDTULRWXVCO-UHFFFAOYSA-N -1 0 327.346 3.756 20 0 EHADRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccccc2OC)c1C1CC1 ZINC000534234921 1034303394 /nfs/dbraw/zinc/30/33/94/1034303394.db2.gz JTHRXJMTJLHRFL-GFCCVEGCSA-N -1 0 349.456 3.541 20 0 EHADRM O=C(/C=C/c1cc(Br)cs1)c1ccc(O)cc1[O-] ZINC000149038070 1034372405 /nfs/dbraw/zinc/37/24/05/1034372405.db2.gz RPFUDISEVQGXHD-DUXPYHPUSA-N -1 0 325.183 3.818 20 0 EHADRM CC(=O)c1[n-]c(=N[C@@H](C)c2nc(C(F)(F)F)cs2)sc1C ZINC000450480514 1034403394 /nfs/dbraw/zinc/40/33/94/1034403394.db2.gz BPXVBIIWIVWWCF-YFKPBYRVSA-N -1 0 335.376 3.724 20 0 EHADRM COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1ccccc1C(C)C ZINC000604513340 1034406427 /nfs/dbraw/zinc/40/64/27/1034406427.db2.gz CIFBHZGZAFQRHF-UHFFFAOYSA-N -1 0 347.436 3.706 20 0 EHADRM CCc1nn(-c2ccccc2)c(CC)c1CN=c1[n-]nc(C(C)C)o1 ZINC000450491644 1034422250 /nfs/dbraw/zinc/42/22/50/1034422250.db2.gz PVULNTIFJJJRPD-UHFFFAOYSA-N -1 0 339.443 3.538 20 0 EHADRM COc1ccc(CNC(=O)CC[C@@H](C)c2ccccc2)cc1C(=O)[O-] ZINC000450494316 1034429012 /nfs/dbraw/zinc/42/90/12/1034429012.db2.gz KVTJYWYPJNTEQM-CQSZACIVSA-N -1 0 341.407 3.594 20 0 EHADRM CC(C)CC[C@@H](NC(=O)N=c1[n-]nc(C(F)F)s1)C(C)(C)C ZINC000604618735 1034438957 /nfs/dbraw/zinc/43/89/57/1034438957.db2.gz VAIBFBARKFTPPT-SECBINFHSA-N -1 0 334.436 3.870 20 0 EHADRM Cc1ccccc1CCC(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000596906638 1034448295 /nfs/dbraw/zinc/44/82/95/1034448295.db2.gz WRNSFFKCTDERAI-UHFFFAOYSA-N -1 0 329.450 3.568 20 0 EHADRM [O-]c1c(Cl)cc(CN2CC[C@]3(CCCO3)C2)cc1Br ZINC001231745680 1034460686 /nfs/dbraw/zinc/46/06/86/1034460686.db2.gz HYPUGEUDUDQGHV-CQSZACIVSA-N -1 0 346.652 3.563 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000450530620 1034488219 /nfs/dbraw/zinc/48/82/19/1034488219.db2.gz DSKJPZKOPUEPHN-DNVCBOLYSA-N -1 0 337.419 3.722 20 0 EHADRM Cc1c(CNC(=O)[C@@H]2CC[C@H]2C(=O)[O-])sc2ccc(Cl)cc12 ZINC000450541635 1034493768 /nfs/dbraw/zinc/49/37/68/1034493768.db2.gz RLRBSJPIIRPNNG-GHMZBOCLSA-N -1 0 337.828 3.590 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)NCc2ccc3ccccc3c2)s[n-]1 ZINC000604800587 1034508196 /nfs/dbraw/zinc/50/81/96/1034508196.db2.gz GLRMKUWYWSZYJA-UHFFFAOYSA-N -1 0 340.452 3.732 20 0 EHADRM C[C@@H](NC(=O)C1CCC(C(=O)[O-])CC1)c1cc2cccc(F)c2o1 ZINC000450538957 1034513595 /nfs/dbraw/zinc/51/35/95/1034513595.db2.gz JALMZPAFXXPKFO-VOMCLLRMSA-N -1 0 333.359 3.640 20 0 EHADRM CC(C)CCOc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000060489009 1034622670 /nfs/dbraw/zinc/62/26/70/1034622670.db2.gz IYUKTLZJQIZEKC-UHFFFAOYSA-N -1 0 347.436 3.805 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)C=Cc2cccc(F)c2)c1 ZINC000060497493 1034627054 /nfs/dbraw/zinc/62/70/54/1034627054.db2.gz PTMGYRQERUKACB-CMDGGOBGSA-N -1 0 333.384 3.801 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2ccccc2NC2CCCCC2)C1 ZINC000569784892 1034704225 /nfs/dbraw/zinc/70/42/25/1034704225.db2.gz LCISZGXUZJSQHW-HNNXBMFYSA-N -1 0 344.455 3.758 20 0 EHADRM O=C(N=c1nc(Cc2ccccc2)[n-]s1)c1cc2occc2s1 ZINC000605465179 1034748243 /nfs/dbraw/zinc/74/82/43/1034748243.db2.gz QUKCTBPXBUKHTR-UHFFFAOYSA-N -1 0 341.417 3.611 20 0 EHADRM CCc1cccc(CC)c1S(=O)(=O)[N-]c1cnc(C(C)(C)C)nc1 ZINC000605496923 1034769608 /nfs/dbraw/zinc/76/96/08/1034769608.db2.gz GARZPQYIHKEPMP-UHFFFAOYSA-N -1 0 347.484 3.700 20 0 EHADRM Cc1cccc(Cl)c1CN(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000450760214 1034782259 /nfs/dbraw/zinc/78/22/59/1034782259.db2.gz QWUKZHWFAJXXFT-UHFFFAOYSA-N -1 0 333.844 3.991 20 0 EHADRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C)cc2C)c1-c1ccccc1 ZINC000534684749 1034798063 /nfs/dbraw/zinc/79/80/63/1034798063.db2.gz IMOUTDYGWNCLRJ-UHFFFAOYSA-N -1 0 341.436 3.803 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-] ZINC000601984921 1034847059 /nfs/dbraw/zinc/84/70/59/1034847059.db2.gz PRZXQYCVNHQCAW-UWVGGRQHSA-N -1 0 345.848 3.661 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-] ZINC000601986349 1034849301 /nfs/dbraw/zinc/84/93/01/1034849301.db2.gz CUPXUOYUBAFJIF-IUCAKERBSA-N -1 0 335.347 3.547 20 0 EHADRM CSCc1cccc(NC(=O)[C@@](C)(CC(=O)[O-])c2ccsc2)c1 ZINC000601986976 1034849466 /nfs/dbraw/zinc/84/94/66/1034849466.db2.gz WCFFUNIUUCBYAU-KRWDZBQOSA-N -1 0 349.477 3.982 20 0 EHADRM O=C(Nc1cccc(F)c1O)C1(c2ccccc2Cl)CCOCC1 ZINC000530006312 1034852514 /nfs/dbraw/zinc/85/25/14/1034852514.db2.gz OPYQVBSTZVDOCV-UHFFFAOYSA-N -1 0 349.789 3.872 20 0 EHADRM CCCc1nc(CN2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])cs1 ZINC000584481353 1034947299 /nfs/dbraw/zinc/94/72/99/1034947299.db2.gz LCJBDOYWAVDTMX-ZBFHGGJFSA-N -1 0 336.501 3.951 20 0 EHADRM Cc1nc([N-]S(=O)(=O)Cc2ccc(C(F)F)cc2)sc1C ZINC000450967107 1034991932 /nfs/dbraw/zinc/99/19/32/1034991932.db2.gz KXNWQBLQPWMMEA-UHFFFAOYSA-N -1 0 332.397 3.639 20 0 EHADRM Cc1csc(S(=O)(=O)[N-]c2cccc3c2CN(C(C)C)C3)c1 ZINC000450991376 1035003725 /nfs/dbraw/zinc/00/37/25/1035003725.db2.gz KFQRRYMIJONBCW-UHFFFAOYSA-N -1 0 336.482 3.581 20 0 EHADRM CC(C)(C)c1cc(CS(=O)(=O)Nc2ccc3occc3c2)no1 ZINC000530146071 1035004621 /nfs/dbraw/zinc/00/46/21/1035004621.db2.gz YWPZNXWUHWBUQA-UHFFFAOYSA-N -1 0 334.397 3.660 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000570048351 1035005134 /nfs/dbraw/zinc/00/51/34/1035005134.db2.gz QZFYNQPGMAVKLK-SFHVURJKSA-N -1 0 341.407 3.699 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C3CCOCC3)c2)c1 ZINC000530144274 1035005496 /nfs/dbraw/zinc/00/54/96/1035005496.db2.gz DZTNPOWXSIREGI-UHFFFAOYSA-N -1 0 345.464 3.998 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cc1OCC1CC1)c1sccc1F ZINC000451019483 1035018798 /nfs/dbraw/zinc/01/87/98/1035018798.db2.gz VJPCASOCMMOSOV-UHFFFAOYSA-N -1 0 345.392 3.616 20 0 EHADRM CCCCc1oc2ccccc2c1CN(C)C(=O)CSCC(=O)[O-] ZINC000612593604 1035085615 /nfs/dbraw/zinc/08/56/15/1035085615.db2.gz RXZPCEMMMIDIFM-UHFFFAOYSA-N -1 0 349.452 3.552 20 0 EHADRM Cc1cc(NC(=O)c2csc([C@H]3CCCO3)n2)cc(C(=O)[O-])c1C ZINC000431666614 1035164492 /nfs/dbraw/zinc/16/44/92/1035164492.db2.gz KSUFEIWMUJCDOM-CQSZACIVSA-N -1 0 346.408 3.562 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000431668231 1035169518 /nfs/dbraw/zinc/16/95/18/1035169518.db2.gz WHVUOEDQDBIMCW-LBPRGKRZSA-N -1 0 331.799 3.784 20 0 EHADRM Cc1cc(NC(=O)c2ccnc(OC3CCC3)c2)cc(C(=O)[O-])c1C ZINC000431668610 1035173762 /nfs/dbraw/zinc/17/37/62/1035173762.db2.gz ZTCUBWYTKBLZBI-UHFFFAOYSA-N -1 0 340.379 3.580 20 0 EHADRM Cc1cc(NC(=O)c2cncnc2-c2ccccc2)cc(C(=O)[O-])c1C ZINC000431687281 1035237803 /nfs/dbraw/zinc/23/78/03/1035237803.db2.gz PJJPPKQACVRLMS-UHFFFAOYSA-N -1 0 347.374 3.711 20 0 EHADRM CC(=O)c1cc(F)c(NC(=O)c2coc(Br)c2)c(F)c1 ZINC000347146619 1035508219 /nfs/dbraw/zinc/50/82/19/1035508219.db2.gz ADEMMUPKHJSIGV-UHFFFAOYSA-N -1 0 344.111 3.775 20 0 EHADRM CO[C@@H](C)c1nc(=NCc2ccc(OC3CCCC3)cc2)s[n-]1 ZINC000509714384 1035522447 /nfs/dbraw/zinc/52/24/47/1035522447.db2.gz RPHGWJIZZLFMES-LBPRGKRZSA-N -1 0 333.457 3.601 20 0 EHADRM CCCCc1ccc(NC(=O)c2cccc(OCC(=O)[O-])c2)cc1 ZINC000540675000 1035577381 /nfs/dbraw/zinc/57/73/81/1035577381.db2.gz QGDKYERSDYQAJJ-UHFFFAOYSA-N -1 0 327.380 3.745 20 0 EHADRM C[C@@H](CC(=O)N[C@H](CC(=O)[O-])C1CCCCC1)c1ccccc1F ZINC000540705047 1035584487 /nfs/dbraw/zinc/58/44/87/1035584487.db2.gz WQLDAFDYWHEWJJ-SUMWQHHRSA-N -1 0 335.419 3.859 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])C1CCCCC1)c1ccccc1F ZINC000540705046 1035584992 /nfs/dbraw/zinc/58/49/92/1035584992.db2.gz WQLDAFDYWHEWJJ-GUYCJALGSA-N -1 0 335.419 3.859 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CCCc2sccc21)C1CCCCC1 ZINC000431801635 1035595911 /nfs/dbraw/zinc/59/59/11/1035595911.db2.gz SHRVEGMCVQKSFS-CABCVRRESA-N -1 0 335.469 3.708 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)/C=C\SCc2ccco2)cc1 ZINC000492326242 1035648684 /nfs/dbraw/zinc/64/86/84/1035648684.db2.gz CPOHWBLGTOMPOQ-MWYRAJAISA-N -1 0 329.377 3.763 20 0 EHADRM FC(F)Oc1ccc2ccccc2c1CN=c1[n-]nc(C2CC2)o1 ZINC000540807857 1035700481 /nfs/dbraw/zinc/70/04/81/1035700481.db2.gz VVGZXSCJBSRIMY-UHFFFAOYSA-N -1 0 331.322 3.736 20 0 EHADRM CCOCc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000588077493 1035702231 /nfs/dbraw/zinc/70/22/31/1035702231.db2.gz LZHHTMQJQRAJKJ-UHFFFAOYSA-N -1 0 343.807 3.816 20 0 EHADRM Cc1cccc(Oc2ccccc2C(=O)N(C)C[C@H](C)C(=O)[O-])c1 ZINC000263096887 1035737709 /nfs/dbraw/zinc/73/77/09/1035737709.db2.gz ILDBLVCYXAMPHA-AWEZNQCLSA-N -1 0 327.380 3.580 20 0 EHADRM CC(C)c1nc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)no1 ZINC000540895027 1035777067 /nfs/dbraw/zinc/77/70/67/1035777067.db2.gz YENYWSLXVMOPPK-UHFFFAOYSA-N -1 0 343.408 3.661 20 0 EHADRM CCCC[C@H](NC(=O)Nc1cccc(CCC(F)(F)F)c1)C(=O)[O-] ZINC000571910003 1035784195 /nfs/dbraw/zinc/78/41/95/1035784195.db2.gz ISMKMRBLIMTFHF-ZDUSSCGKSA-N -1 0 346.349 3.946 20 0 EHADRM CCC(CC)[C@@H](NC(=O)c1ccc2oc(=O)nc-2[n-]1)c1ccccc1 ZINC000669273157 1035885400 /nfs/dbraw/zinc/88/54/00/1035885400.db2.gz QXFYCPNZWKEGCI-MRXNPFEDSA-N -1 0 339.395 3.836 20 0 EHADRM COc1cc(F)c(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)c(F)c1 ZINC000588623274 1035918384 /nfs/dbraw/zinc/91/83/84/1035918384.db2.gz FADRMRQAGMBKLD-UHFFFAOYSA-N -1 0 341.379 3.699 20 0 EHADRM CO[C@H](C)CSc1n[n-]c(=Nc2cccc(Cl)c2C)s1 ZINC000541074300 1035956487 /nfs/dbraw/zinc/95/64/87/1035956487.db2.gz RHJHTOYCGVDVIL-MRVPVSSYSA-N -1 0 329.878 3.792 20 0 EHADRM COc1ccc(/C=C\C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)nc1 ZINC000492546408 1035959610 /nfs/dbraw/zinc/95/96/10/1035959610.db2.gz CVYZANRCAJNDGQ-HYXAFXHYSA-N -1 0 339.178 3.755 20 0 EHADRM CC(C)(C)[C@H]1CCN(C(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])C1 ZINC000613463627 1035965946 /nfs/dbraw/zinc/96/59/46/1035965946.db2.gz VNHAAKFIPLXFOJ-LBPRGKRZSA-N -1 0 347.846 3.740 20 0 EHADRM O=c1nc(CCC(F)(F)F)[n-]c2c(-c3ccccc3)nsc21 ZINC000541161562 1036037373 /nfs/dbraw/zinc/03/73/73/1036037373.db2.gz SSQRFGAOXZMRFV-UHFFFAOYSA-N -1 0 325.315 3.542 20 0 EHADRM O=S(=O)(/C=C/c1ccc(F)cc1)[N-]c1nc2c(s1)CCCC2 ZINC000178179025 1036049554 /nfs/dbraw/zinc/04/95/54/1036049554.db2.gz AKNNYTJZGIJXOY-MDZDMXLPSA-N -1 0 338.429 3.574 20 0 EHADRM CCC[C@@H]1CCCCN1C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000613485789 1036052704 /nfs/dbraw/zinc/05/27/04/1036052704.db2.gz CKDDKFUBKRUSQS-CYBMUJFWSA-N -1 0 349.381 3.651 20 0 EHADRM Cc1ccc(/C=C/CC(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1 ZINC000572404358 1036078530 /nfs/dbraw/zinc/07/85/30/1036078530.db2.gz IEHUDOPHOHLSAF-KPDZFXRVSA-N -1 0 349.430 3.725 20 0 EHADRM Cc1ccc(CN=c2[n-]nc(-c3ccccc3)o2)c(Br)c1 ZINC000508586451 1036198005 /nfs/dbraw/zinc/19/80/05/1036198005.db2.gz GWBAPENVNAHGSZ-UHFFFAOYSA-N -1 0 344.212 3.842 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2nc(C(C)(C)C)cs2)cc1 ZINC000589263572 1036326336 /nfs/dbraw/zinc/32/63/36/1036326336.db2.gz PHSDESDCGIRLEL-UHFFFAOYSA-N -1 0 342.511 3.963 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]c1ncc(-c2ccccc2)s1 ZINC000589269113 1036334811 /nfs/dbraw/zinc/33/48/11/1036334811.db2.gz LIUGXCVLQDCACJ-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM O=C([N-]S(=O)(=O)/C=C/c1ccccc1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000165225860 1036339431 /nfs/dbraw/zinc/33/94/31/1036339431.db2.gz RNJOYDLXBFVBSH-PHCFSIKCSA-N -1 0 347.480 3.710 20 0 EHADRM C/C=C\C[C@H](NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000572822354 1036510785 /nfs/dbraw/zinc/51/07/85/1036510785.db2.gz BHHRGJPQLGNPIX-RXFDVUBGSA-N -1 0 343.345 3.735 20 0 EHADRM O=S(=O)([N-]c1ccc(C2CCC2)cn1)c1c(F)cccc1Cl ZINC000572829962 1036512092 /nfs/dbraw/zinc/51/20/92/1036512092.db2.gz AVACSQJGKVXLDY-UHFFFAOYSA-N -1 0 340.807 3.942 20 0 EHADRM O=C(N=c1nc2cc(Cl)ccn2[n-]1)c1ccc(C2=CCCC2)cc1 ZINC000464641082 1036618472 /nfs/dbraw/zinc/61/84/72/1036618472.db2.gz BBDJDZRKDBBHOP-UHFFFAOYSA-N -1 0 338.798 3.624 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C(c2ccccc2)c2ccccc2)C1 ZINC000263207119 1036630938 /nfs/dbraw/zinc/63/09/38/1036630938.db2.gz KWQFKSRNOWEGPK-OAQYLSRUSA-N -1 0 337.419 3.532 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC000263208883 1036632683 /nfs/dbraw/zinc/63/26/83/1036632683.db2.gz LELCKHWQUHUTRG-ZDUSSCGKSA-N -1 0 349.427 3.947 20 0 EHADRM CCC[C@@H](CNC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000263216655 1036638830 /nfs/dbraw/zinc/63/88/30/1036638830.db2.gz PSINUTKWRNRGHR-AAEUAGOBSA-N -1 0 345.361 3.816 20 0 EHADRM O=C(N=c1ncn(C2CCCCC2)[n-]1)N1CCC[C@H]1C1CCCCC1 ZINC000541793117 1036651943 /nfs/dbraw/zinc/65/19/43/1036651943.db2.gz UPXFXWGPKSEJDV-KRWDZBQOSA-N -1 0 345.491 3.782 20 0 EHADRM O=C([O-])C1(CNC(=O)/C=C/c2ccc(Cl)s2)CCCCC1 ZINC000165635581 1036661771 /nfs/dbraw/zinc/66/17/71/1036661771.db2.gz FDNHOPMKXLAATA-FNORWQNLSA-N -1 0 327.833 3.566 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)Cc2csc3ccccc23)s[n-]1 ZINC000589937138 1036667873 /nfs/dbraw/zinc/66/78/73/1036667873.db2.gz DZKKKLPSPSFATB-UHFFFAOYSA-N -1 0 331.466 3.653 20 0 EHADRM COc1ccc(C(=O)N=c2[n-]nc(-c3cccc(Cl)c3)s2)cc1 ZINC000589915512 1036674811 /nfs/dbraw/zinc/67/48/11/1036674811.db2.gz FYZKTSLWNXIPSK-UHFFFAOYSA-N -1 0 345.811 3.541 20 0 EHADRM O=S(=O)([N-]c1cncc2ccccc21)c1cnc2ccccc2c1 ZINC000669821373 1036695004 /nfs/dbraw/zinc/69/50/04/1036695004.db2.gz KDMUWNMHEOVYHO-UHFFFAOYSA-N -1 0 335.388 3.584 20 0 EHADRM O=C(c1nn(-c2ccccc2)cc1[O-])N1CCC(c2ccccc2)CC1 ZINC000073843559 1036717829 /nfs/dbraw/zinc/71/78/29/1036717829.db2.gz ZJLBTSNUBFTIJM-UHFFFAOYSA-N -1 0 347.418 3.598 20 0 EHADRM Cc1ccc(NC(=O)c2cc(F)c(F)c([O-])c2F)cc1OC(F)F ZINC000186391561 1036724189 /nfs/dbraw/zinc/72/41/89/1036724189.db2.gz NVSDRGDZFOTBKC-UHFFFAOYSA-N -1 0 347.239 3.972 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C=Cc2nc3ccccc3o2)c1 ZINC000493118980 1036730421 /nfs/dbraw/zinc/73/04/21/1036730421.db2.gz NIUFJZKVKZYDAI-KTKRTIGZSA-N -1 0 336.347 3.778 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)[C@H]2C[C@@H]2C2CCCC2)CC1 ZINC000653280016 1036735272 /nfs/dbraw/zinc/73/52/72/1036735272.db2.gz VRMFMYJSILZINZ-MOPGFXCFSA-N -1 0 341.451 3.917 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cccc(Nc2ccccc2)c1 ZINC000263269939 1036742552 /nfs/dbraw/zinc/74/25/52/1036742552.db2.gz VVPWAWYMRHXFHX-GDBMZVCRSA-N -1 0 338.407 3.756 20 0 EHADRM O=C(COc1ccccc1-c1ccccc1)[N-]OCc1ccccc1 ZINC000008096761 1036782836 /nfs/dbraw/zinc/78/28/36/1036782836.db2.gz YOECOPFOJMSAIU-UHFFFAOYSA-N -1 0 333.387 3.980 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2ccc(Br)cc2Cl)C1 ZINC000263322380 1036785682 /nfs/dbraw/zinc/78/56/82/1036785682.db2.gz JUPOKZSXPIZDNA-ONGXEEELSA-N -1 0 346.652 3.645 20 0 EHADRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N3CC[C@@H](CC(C)C)C3)n2)c1 ZINC000539488338 1036805525 /nfs/dbraw/zinc/80/55/25/1036805525.db2.gz DOJIQWVVOZROSR-AWEZNQCLSA-N -1 0 345.418 3.534 20 0 EHADRM Cc1ccc(CCCC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000263401727 1036850530 /nfs/dbraw/zinc/85/05/30/1036850530.db2.gz FHSVJZVQINJMNP-KRWDZBQOSA-N -1 0 345.464 3.534 20 0 EHADRM C[C@@H]1CC[C@H](CCC(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)O1 ZINC000263406774 1036870240 /nfs/dbraw/zinc/87/02/40/1036870240.db2.gz KWXNMAIYKGTQSM-DJIMGWMZSA-N -1 0 339.476 3.654 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)[C@]3(C(=O)[O-])CC=CCC3)ccc2o1 ZINC000653281302 1036906075 /nfs/dbraw/zinc/90/60/75/1036906075.db2.gz BVNBMBKGPCAIQM-IBGZPJMESA-N -1 0 342.395 3.875 20 0 EHADRM Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000666364910 1036925595 /nfs/dbraw/zinc/92/55/95/1036925595.db2.gz PCLIRMXMDPFEGA-LLVKDONJSA-N -1 0 343.427 3.695 20 0 EHADRM COc1ccccc1CC(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1 ZINC000263446144 1036928356 /nfs/dbraw/zinc/92/83/56/1036928356.db2.gz YSSDKMJWFCLULR-KRWDZBQOSA-N -1 0 347.455 3.558 20 0 EHADRM Cc1ccc2cc(C(=O)N[C@H](CC(=O)[O-])C3CCCCC3)[nH]c2c1 ZINC000539605781 1036969350 /nfs/dbraw/zinc/96/93/50/1036969350.db2.gz HUTYKNFIYSTXOV-MRXNPFEDSA-N -1 0 328.412 3.630 20 0 EHADRM CCC[C@@H]1CCCC[C@H]1NC(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000590625160 1036975051 /nfs/dbraw/zinc/97/50/51/1036975051.db2.gz DBPGUYYWAVRUBG-VXGBXAGGSA-N -1 0 334.445 3.700 20 0 EHADRM Cc1c2nc([N-]S(=O)(=O)c3ccc(F)cc3)sc2ccc1F ZINC000464913334 1036980762 /nfs/dbraw/zinc/98/07/62/1036980762.db2.gz RLGKKAQBQBHIOC-UHFFFAOYSA-N -1 0 340.376 3.684 20 0 EHADRM CCCCc1n[n-]c(=NCc2ccc(OC)c(OC)c2Cl)s1 ZINC000539707486 1037095939 /nfs/dbraw/zinc/09/59/39/1037095939.db2.gz DYFASTZLASBFTK-UHFFFAOYSA-N -1 0 341.864 3.585 20 0 EHADRM CC(C)c1ccc(-c2ncc(C[S@](=O)[C@H](C)C(=O)[O-])s2)cc1 ZINC000590900265 1037130741 /nfs/dbraw/zinc/13/07/41/1037130741.db2.gz GRVNMMWFJYUVPL-XFNZEKPQSA-N -1 0 337.466 3.655 20 0 EHADRM C[C@@H](CC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1)C1CCCCC1 ZINC000590960931 1037143317 /nfs/dbraw/zinc/14/33/17/1037143317.db2.gz DUYJSNMDSKOIDO-LBPRGKRZSA-N -1 0 329.400 3.575 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1cccc(CC(=O)[O-])c1)Cc1ccccc1 ZINC000653644406 1037148854 /nfs/dbraw/zinc/14/88/54/1037148854.db2.gz KZQNYJADHDCWTG-LJQANCHMSA-N -1 0 339.435 3.558 20 0 EHADRM CC(=O)c1c(F)cccc1N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263570215 1037165331 /nfs/dbraw/zinc/16/53/31/1037165331.db2.gz ZXBBNNZQLZGLIC-OAHLLOKOSA-N -1 0 329.371 3.916 20 0 EHADRM O=C([O-])c1coc(C(=O)N2CCCC[C@H]2CCCc2ccccc2)c1 ZINC000263580040 1037171296 /nfs/dbraw/zinc/17/12/96/1037171296.db2.gz VMUVRKRQELIBGU-KRWDZBQOSA-N -1 0 341.407 3.995 20 0 EHADRM C[C@@H](SCCC[N-]C(=O)C(F)(F)F)c1ccc(F)cc1F ZINC000180782613 1037177205 /nfs/dbraw/zinc/17/72/05/1037177205.db2.gz ONGUADVHYKKFCA-MRVPVSSYSA-N -1 0 327.318 3.828 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000089285014 1037181498 /nfs/dbraw/zinc/18/14/98/1037181498.db2.gz PKWRSVTZEHMDRA-UHFFFAOYSA-N -1 0 341.860 3.915 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000089285137 1037184933 /nfs/dbraw/zinc/18/49/33/1037184933.db2.gz AXQAPEQIUCLAME-INIZCTEOSA-N -1 0 347.461 3.992 20 0 EHADRM CC[C@H]1CCc2nc([N-]S(=O)(=O)c3ccc(C)cc3)sc2C1 ZINC000303195717 1037204063 /nfs/dbraw/zinc/20/40/63/1037204063.db2.gz XYFKDRVOUMROGZ-LBPRGKRZSA-N -1 0 336.482 3.767 20 0 EHADRM CC[C@H]1CCC[C@H]1NC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666533884 1037205107 /nfs/dbraw/zinc/20/51/07/1037205107.db2.gz BMVFHYCYZQESKS-KBXCAEBGSA-N -1 0 344.455 3.853 20 0 EHADRM O=C(Nc1ccc(F)c(Cl)c1)c1nn(-c2ccccc2F)cc1[O-] ZINC000591095201 1037219141 /nfs/dbraw/zinc/21/91/41/1037219141.db2.gz FYYFESNKCHTUDD-UHFFFAOYSA-N -1 0 349.724 3.762 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[C@H]1c1cccc(C)c1C ZINC000659121958 1037314984 /nfs/dbraw/zinc/31/49/84/1037314984.db2.gz ISKMIMYXLHCIPL-INIZCTEOSA-N -1 0 327.380 3.880 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CC[C@H](C3CCC3)CC2)Cc2ccccc21 ZINC000659143442 1037366434 /nfs/dbraw/zinc/36/64/34/1037366434.db2.gz LTBANGQNFRKHPX-GPMSIDNRSA-N -1 0 341.451 3.804 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)C[C@]12CCCC[C@H]1C2(F)F ZINC000659152835 1037377400 /nfs/dbraw/zinc/37/74/00/1037377400.db2.gz RQRDVUJYOQXGOO-CKEIUWERSA-N -1 0 343.414 3.742 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000659147771 1037379758 /nfs/dbraw/zinc/37/97/58/1037379758.db2.gz NIXLXOWWUJNLGX-NXEZZACHSA-N -1 0 331.343 3.573 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000659147773 1037381091 /nfs/dbraw/zinc/38/10/91/1037381091.db2.gz NIXLXOWWUJNLGX-UWVGGRQHSA-N -1 0 331.343 3.573 20 0 EHADRM CC1=CC[C@](C)(C(=O)N[C@@H](C)[C@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC000659158779 1037381524 /nfs/dbraw/zinc/38/15/24/1037381524.db2.gz FZVSNCBQYHCDJG-KNBMTAEXSA-N -1 0 329.440 3.571 20 0 EHADRM Cc1cc(C(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)c(C)s1 ZINC000058034977 1037385934 /nfs/dbraw/zinc/38/59/34/1037385934.db2.gz XUELITODLAHYBJ-UHFFFAOYSA-N -1 0 347.461 3.987 20 0 EHADRM C[C@@]1(Cc2ccccc2Cl)CCCN1C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000659171648 1037413477 /nfs/dbraw/zinc/41/34/77/1037413477.db2.gz DHEGHKBIJZSQAT-TYILLQQXSA-N -1 0 349.858 3.765 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)C[C@@H](C)c2cccc(F)c2)n1 ZINC000659186094 1037436815 /nfs/dbraw/zinc/43/68/15/1037436815.db2.gz FWXRUKPWMGJAAY-IUODEOHRSA-N -1 0 347.390 3.580 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)[C@@H](C)c2ccc(CC)cc2)n1 ZINC000659188926 1037441622 /nfs/dbraw/zinc/44/16/22/1037441622.db2.gz WYYQCUDKDZYCHB-XJKSGUPXSA-N -1 0 343.427 3.614 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)[C@@H](c2ccccc2)C(C)C)n1 ZINC000659189373 1037443499 /nfs/dbraw/zinc/44/34/99/1037443499.db2.gz YWAIDBONCYYYGP-NVXWUHKLSA-N -1 0 343.427 3.687 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N[C@@H](CCC)c2ccccn2)s1 ZINC000591479770 1037444482 /nfs/dbraw/zinc/44/44/82/1037444482.db2.gz QFCTVBMGGQOSNW-AWEZNQCLSA-N -1 0 347.488 3.751 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc3ccccc3c2)[C@H]2CCCC[C@H]12 ZINC000659196810 1037453921 /nfs/dbraw/zinc/45/39/21/1037453921.db2.gz XYEMLEFAUMHPMM-QRVBRYPASA-N -1 0 337.419 3.945 20 0 EHADRM O=C([O-])C[C@@H](CNC(=O)CCc1c(Cl)cccc1Cl)C1CC1 ZINC000659210502 1037479452 /nfs/dbraw/zinc/47/94/52/1037479452.db2.gz VNTSRIIIRHWVAW-NSHDSACASA-N -1 0 344.238 3.543 20 0 EHADRM C[C@@H](CC(=O)NC[C@H](CC(=O)[O-])C1CC1)Cc1ccc(Cl)cc1 ZINC000659208846 1037480445 /nfs/dbraw/zinc/48/04/45/1037480445.db2.gz LLXYRNPEHUABDM-DOMZBBRYSA-N -1 0 337.847 3.526 20 0 EHADRM CC(C)(CCCc1ccccc1)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC000659212058 1037483513 /nfs/dbraw/zinc/48/35/13/1037483513.db2.gz VJGAKEDTZDAXCZ-KRWDZBQOSA-N -1 0 331.456 3.653 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000659224628 1037519818 /nfs/dbraw/zinc/51/98/18/1037519818.db2.gz RALRHXHPGLNXAY-PHJPPKDOSA-N -1 0 329.440 3.783 20 0 EHADRM Cc1cccc2c1CCC[C@@H]2NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000659234353 1037548506 /nfs/dbraw/zinc/54/85/06/1037548506.db2.gz RZJQIPWSMFYDLT-JMLCCBQJSA-N -1 0 329.440 3.770 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000659236258 1037551702 /nfs/dbraw/zinc/55/17/02/1037551702.db2.gz RPNCIFZISAMITA-YJBOKZPZSA-N -1 0 347.798 3.973 20 0 EHADRM CC(=O)N(C)c1ccccc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000460822599 1037627644 /nfs/dbraw/zinc/62/76/44/1037627644.db2.gz GWCTZVMARZTYNK-UHFFFAOYSA-N -1 0 346.452 3.594 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(c2nccnc2C(F)F)CC1 ZINC000573614099 1037629971 /nfs/dbraw/zinc/62/99/71/1037629971.db2.gz UGCNNWQMKXHPES-UHFFFAOYSA-N -1 0 347.365 3.572 20 0 EHADRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)CCc1cc2ccccc2o1 ZINC000573671945 1037680171 /nfs/dbraw/zinc/68/01/71/1037680171.db2.gz WEOGJHJRGNDGFX-CVEARBPZSA-N -1 0 329.396 3.515 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C)cc3)nc2)o1 ZINC000540211178 1037695580 /nfs/dbraw/zinc/69/55/80/1037695580.db2.gz MBPPOJWMYNVEPD-UHFFFAOYSA-N -1 0 344.392 3.885 20 0 EHADRM Cc1ccc(C(C)C)cc1OCC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000532594889 1037755391 /nfs/dbraw/zinc/75/53/91/1037755391.db2.gz UMYPLJOMKKYHNM-UHFFFAOYSA-N -1 0 341.407 3.512 20 0 EHADRM Cc1cccc(C(=O)Nc2ccc(OCC3CCOCC3)cc2)c1O ZINC000303838622 1037776919 /nfs/dbraw/zinc/77/69/19/1037776919.db2.gz LRKKYVIJTJEBAO-UHFFFAOYSA-N -1 0 341.407 3.758 20 0 EHADRM CC(C)[C@@H](CC(=O)NCC1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC000431856060 1037821902 /nfs/dbraw/zinc/82/19/02/1037821902.db2.gz HVVNUQYZHAFCNL-QGZVFWFLSA-N -1 0 331.456 3.968 20 0 EHADRM CCN(CC1CC1)C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000173434247 1038087311 /nfs/dbraw/zinc/08/73/11/1038087311.db2.gz QWVQRNMFXLAVKU-UHFFFAOYSA-N -1 0 327.428 3.573 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1ccc(F)cc1OC1CCCC1 ZINC000659146125 1038177876 /nfs/dbraw/zinc/17/78/76/1038177876.db2.gz AKVWONJZMANMTM-UHFFFAOYSA-N -1 0 347.342 3.999 20 0 EHADRM CCn1c(C)cc(C([O-])=C[S@](=O)Cc2cccc(Cl)c2)c1C ZINC000124876565 1038247713 /nfs/dbraw/zinc/24/77/13/1038247713.db2.gz AKUNMYDDWJPJSA-QFIPXVFZSA-N -1 0 337.872 3.910 20 0 EHADRM Cc1cc2cc(C(=O)N3CCc4ccc(C(=O)[O-])cc4C3)oc2cc1C ZINC000538584523 1038405718 /nfs/dbraw/zinc/40/57/18/1038405718.db2.gz GHNSDXZJCSYDGV-UHFFFAOYSA-N -1 0 349.386 3.946 20 0 EHADRM CCCc1n[n-]c(=NCc2csc(-c3ccc(C)cc3)n2)s1 ZINC000538609110 1038432991 /nfs/dbraw/zinc/43/29/91/1038432991.db2.gz TTYNQXUZGSIKGC-UHFFFAOYSA-N -1 0 330.482 3.957 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000431867274 1038599972 /nfs/dbraw/zinc/59/99/72/1038599972.db2.gz YXXSBLYEIFSTJO-AWEZNQCLSA-N -1 0 335.469 3.566 20 0 EHADRM Cc1cc(CN=c2[n-]nc(C3CC3)s2)c(OC(F)F)cc1C ZINC000554002036 1038778290 /nfs/dbraw/zinc/77/82/90/1038778290.db2.gz WBFXQSMXKLBZDX-UHFFFAOYSA-N -1 0 325.384 3.668 20 0 EHADRM CC(C)[C@@H]1C[C@H](NC(=O)c2ccoc2CC(=O)[O-])c2ccccc21 ZINC000910237478 1038781649 /nfs/dbraw/zinc/78/16/49/1038781649.db2.gz UGJYAAWJKVZWIV-HOTGVXAUSA-N -1 0 327.380 3.521 20 0 EHADRM CSc1ccccc1CN(C)C(=O)c1ccccc1CCC(=O)[O-] ZINC000910250934 1038789703 /nfs/dbraw/zinc/78/97/03/1038789703.db2.gz PAFRUGDZBARILE-UHFFFAOYSA-N -1 0 343.448 3.698 20 0 EHADRM C[C@H]1[C@H](C(=O)[O-])CCN1c1ncnc2scc(-c3cccs3)c21 ZINC000910317979 1038825241 /nfs/dbraw/zinc/82/52/41/1038825241.db2.gz YQGZOVYLSCALFC-VHSXEESVSA-N -1 0 345.449 3.719 20 0 EHADRM CC(C)CCc1ccccc1NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000667568095 1038830054 /nfs/dbraw/zinc/83/00/54/1038830054.db2.gz SJLZFKGSYOSQIU-UHFFFAOYSA-N -1 0 325.368 3.769 20 0 EHADRM Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1 ZINC000910348811 1038838022 /nfs/dbraw/zinc/83/80/22/1038838022.db2.gz ZVPOMDUERNMMON-PDSXEYIOSA-N -1 0 335.403 3.645 20 0 EHADRM C[C@@H]1CN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)Cc2ccccc21 ZINC000910382538 1038890118 /nfs/dbraw/zinc/89/01/18/1038890118.db2.gz ZWHGXZVAOCHLJC-WPUWVODUSA-N -1 0 327.424 3.558 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1C ZINC000539398688 1038890298 /nfs/dbraw/zinc/89/02/98/1038890298.db2.gz AWZWFLSXBYIZCT-VIFPVBQESA-N -1 0 345.827 3.756 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N(C)[C@@H](CC)c2ccccc2OC)s1 ZINC000554112533 1038915969 /nfs/dbraw/zinc/91/59/69/1038915969.db2.gz KUGREVRTRVDHJY-ZDUSSCGKSA-N -1 0 348.472 3.536 20 0 EHADRM C[C@@H](Nc1ccc(C(F)(F)F)nc1)c1ccc(OCC(=O)[O-])cc1 ZINC000910466731 1038927288 /nfs/dbraw/zinc/92/72/88/1038927288.db2.gz KSPOGKIFIMFAOZ-SNVBAGLBSA-N -1 0 340.301 3.737 20 0 EHADRM C[C@@H](Nc1cccc(C(F)(F)F)n1)c1ccc(OCC(=O)[O-])cc1 ZINC000910466994 1038927446 /nfs/dbraw/zinc/92/74/46/1038927446.db2.gz PBCZLMJEAZBQAP-SNVBAGLBSA-N -1 0 340.301 3.737 20 0 EHADRM Cc1c(C(=O)[O-])sc2ncnc(N3CC[C@@H](c4ccccc4)C3)c12 ZINC000021715891 1038953985 /nfs/dbraw/zinc/95/39/85/1038953985.db2.gz SHWBJAOASLKDAQ-CYBMUJFWSA-N -1 0 339.420 3.692 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000236877019 1038966039 /nfs/dbraw/zinc/96/60/39/1038966039.db2.gz DOKHPJUNLYIUEV-ZPHJMFTNSA-N -1 0 339.391 3.889 20 0 EHADRM CN(C(=O)N=c1[n-]nc(C(F)F)s1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000416766101 1038986791 /nfs/dbraw/zinc/98/67/91/1038986791.db2.gz DDHJHBCSFLCECX-RKDXNWHRSA-N -1 0 332.420 3.576 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)C[C@H]1CCO[C@@H](C(C)C)C1 ZINC000910623046 1038990800 /nfs/dbraw/zinc/99/08/00/1038990800.db2.gz ZSDXLPYULRCODN-XJKSGUPXSA-N -1 0 349.427 3.563 20 0 EHADRM CCCCn1ncc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1C(C)C ZINC000910654837 1039003303 /nfs/dbraw/zinc/00/33/03/1039003303.db2.gz CJCFCCBMCVJEKH-KGLIPLIRSA-N -1 0 335.448 3.636 20 0 EHADRM CC(C)c1c(NC(=O)C2(C(=O)[O-])CCCC2)cnn1-c1ccccc1 ZINC000910655865 1039004646 /nfs/dbraw/zinc/00/46/46/1039004646.db2.gz GRBIRNHGSDXVTI-UHFFFAOYSA-N -1 0 341.411 3.579 20 0 EHADRM CC(C)[C@H](CC(=O)Nc1ncc(CC(=O)[O-])s1)c1ccccc1 ZINC000910671000 1039012321 /nfs/dbraw/zinc/01/23/21/1039012321.db2.gz GTJBFLFWRZWYAP-AWEZNQCLSA-N -1 0 332.425 3.539 20 0 EHADRM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)CC1(C(=O)[O-])CCCCC1 ZINC000324086355 1039012672 /nfs/dbraw/zinc/01/26/72/1039012672.db2.gz AMNHUPFSJOVXLK-NSHDSACASA-N -1 0 335.366 3.601 20 0 EHADRM COc1cc(C)ccc1C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC000910701211 1039027714 /nfs/dbraw/zinc/02/77/14/1039027714.db2.gz ROEBNZCYYPTTMQ-UHFFFAOYSA-N -1 0 334.397 3.534 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)C[C@H](C)CC(C)C)nc1C(=O)[O-] ZINC000910730329 1039036225 /nfs/dbraw/zinc/03/62/25/1039036225.db2.gz LEFSPNFHGYVNFL-YPMHNXCESA-N -1 0 338.473 3.886 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)C2CCCCCC2)nc1C(=O)[O-] ZINC000910728833 1039036538 /nfs/dbraw/zinc/03/65/38/1039036538.db2.gz YEZSYUQJQPXHBU-ZDUSSCGKSA-N -1 0 336.457 3.784 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910733754 1039041190 /nfs/dbraw/zinc/04/11/90/1039041190.db2.gz RILJNSGITZGQKM-VIFPVBQESA-N -1 0 348.399 3.675 20 0 EHADRM Cn1ccnc1-c1cccc(NC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000195587753 1039041284 /nfs/dbraw/zinc/04/12/84/1039041284.db2.gz OYGXOXYWQWWAIZ-UHFFFAOYSA-N -1 0 327.771 3.698 20 0 EHADRM CCc1csc([C@@H](C)NC(=O)c2ccc3oc(=S)[n-]c3c2)n1 ZINC000910739993 1039048263 /nfs/dbraw/zinc/04/82/63/1039048263.db2.gz FOKXALSSDBBHDM-MRVPVSSYSA-N -1 0 333.438 3.626 20 0 EHADRM CCOC(=O)c1coc(=N[C@H](C)c2ccc(SC(C)C)cc2)[n-]1 ZINC000418853306 1039051244 /nfs/dbraw/zinc/05/12/44/1039051244.db2.gz JDPSAAWIKAEBTA-GFCCVEGCSA-N -1 0 334.441 3.947 20 0 EHADRM COc1ccc2nc(/C=C/c3ccnn3C(C)C)cc(C(=O)[O-])c2c1 ZINC000480038621 1039063788 /nfs/dbraw/zinc/06/37/88/1039063788.db2.gz QWSVBCHYVTYAST-SNAWJCMRSA-N -1 0 337.379 3.889 20 0 EHADRM O=C([O-])C1CCC(CC(=O)Nc2cnccc2-c2ccccc2)CC1 ZINC000910802166 1039099054 /nfs/dbraw/zinc/09/90/54/1039099054.db2.gz BORVQWGIEMIRNE-UHFFFAOYSA-N -1 0 338.407 3.968 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CCC[C@@H]1[C@H](C)c1ccccc1 ZINC000910935749 1039144210 /nfs/dbraw/zinc/14/42/10/1039144210.db2.gz MKQAJCUVYHLFOJ-UKRRQHHQSA-N -1 0 327.380 3.695 20 0 EHADRM FC(F)(F)c1[n-]c(=NC2CC(F)(F)C2)sc1Br ZINC000418936397 1039146974 /nfs/dbraw/zinc/14/69/74/1039146974.db2.gz DTMVHKCITXKJKG-UHFFFAOYSA-N -1 0 337.111 3.556 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1[nH]nc(-c2ccccc2)c1C ZINC000488425232 1039163146 /nfs/dbraw/zinc/16/31/46/1039163146.db2.gz FZXHDEZMXQVGRJ-UHFFFAOYSA-N -1 0 341.436 3.748 20 0 EHADRM CCN(C(=O)c1sc(C(C)C)nc1C)c1cccc(C(=O)[O-])c1 ZINC000910975092 1039174346 /nfs/dbraw/zinc/17/43/46/1039174346.db2.gz HBVXGJMHZBYMGX-UHFFFAOYSA-N -1 0 332.425 3.940 20 0 EHADRM Cc1cc(CN=c2[n-]nc(C3CC3)s2)ccc1Oc1cccnc1 ZINC000554319965 1039206788 /nfs/dbraw/zinc/20/67/88/1039206788.db2.gz QOXWMUIKUKOFLG-UHFFFAOYSA-N -1 0 338.436 3.945 20 0 EHADRM CC[C@@H](CC(=O)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1)C(C)(C)C ZINC000911047715 1039212353 /nfs/dbraw/zinc/21/23/53/1039212353.db2.gz VIRPFYIMNIOKLL-RYUDHWBXSA-N -1 0 338.473 3.620 20 0 EHADRM C[C@@]1(Cc2cc(Cl)cs2)CCCN1C(=O)CCCCC(=O)[O-] ZINC000911063086 1039219178 /nfs/dbraw/zinc/21/91/78/1039219178.db2.gz UJIPCWGEWPSDCI-INIZCTEOSA-N -1 0 343.876 3.970 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCCCCC(=O)[O-])c1 ZINC000236734471 1039247110 /nfs/dbraw/zinc/24/71/10/1039247110.db2.gz JUIIGCHOOPZNOK-HNNXBMFYSA-N -1 0 335.444 3.647 20 0 EHADRM C[C@]12CC3CC(C(=O)NCC4(C(=O)[O-])CCCC4)(C1)C[C@@](C)(C3)C2 ZINC000325820634 1039285246 /nfs/dbraw/zinc/28/52/46/1039285246.db2.gz TZJGUULPEBPYJR-QCHPOJQSSA-N -1 0 333.472 3.744 20 0 EHADRM CCC[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000236998245 1039289198 /nfs/dbraw/zinc/28/91/98/1039289198.db2.gz VEYFUYOQNBFADS-GWCFXTLKSA-N -1 0 342.233 3.517 20 0 EHADRM CC(C)c1ccc(Cc2noc(-c3cc(=O)[nH]c(C4CC4)n3)n2)cc1 ZINC000906098225 1039291081 /nfs/dbraw/zinc/29/10/81/1039291081.db2.gz FQRGKWTVZFZJMT-UHFFFAOYSA-N -1 0 336.395 3.824 20 0 EHADRM Cc1ccc(-c2cc(C(=O)[N-]c3nnc(C(F)F)s3)on2)cc1 ZINC000108998850 1039295165 /nfs/dbraw/zinc/29/51/65/1039295165.db2.gz BBSVMYXRFFIKFJ-UHFFFAOYSA-N -1 0 336.323 3.691 20 0 EHADRM CC(C)n1ncc2c1nc(/C=C\c1ccc3c(c1)CCO3)cc2C(=O)[O-] ZINC000554390367 1039300949 /nfs/dbraw/zinc/30/09/49/1039300949.db2.gz JVPOIMHXGIJDOH-HYXAFXHYSA-N -1 0 349.390 3.816 20 0 EHADRM CCCCn1ncc([N-]S(=O)(=O)c2ccccc2F)c1C(C)C ZINC000480204565 1039303930 /nfs/dbraw/zinc/30/39/30/1039303930.db2.gz ZADBVWHTTNDHOE-UHFFFAOYSA-N -1 0 339.436 3.747 20 0 EHADRM CCCc1cc(C(=O)N(CCC(=O)[O-])Cc2cccnc2)sc1C ZINC000911277433 1039306520 /nfs/dbraw/zinc/30/65/20/1039306520.db2.gz XEZLMABOBPVVKC-UHFFFAOYSA-N -1 0 346.452 3.521 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)c(F)c1 ZINC000480220946 1039321410 /nfs/dbraw/zinc/32/14/10/1039321410.db2.gz FNSUIISPGVDXEE-UHFFFAOYSA-N -1 0 331.368 3.788 20 0 EHADRM C/C=C(\CC)C(=O)N(Cc1ccoc1C(=O)[O-])[C@H](C)c1ccccn1 ZINC000911332173 1039323218 /nfs/dbraw/zinc/32/32/18/1039323218.db2.gz XGRRMHUORUSTHC-NYZLRFNGSA-N -1 0 342.395 3.819 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)Nc1cc(F)ccc1N1CCCCC1 ZINC000911335249 1039326839 /nfs/dbraw/zinc/32/68/39/1039326839.db2.gz MFLULTWTQQSROO-UHFFFAOYSA-N -1 0 346.358 3.668 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000911318550 1039329151 /nfs/dbraw/zinc/32/91/51/1039329151.db2.gz AOTLQEMBEOXEKK-UHFFFAOYSA-N -1 0 348.786 3.792 20 0 EHADRM O=C([O-])C1CCC(CC(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000911390759 1039343100 /nfs/dbraw/zinc/34/31/00/1039343100.db2.gz SLRFSCFOTAJYRV-HHTDUIENSA-N -1 0 349.393 3.752 20 0 EHADRM C[C@@H](CC(=O)Nc1ccccc1CC(=O)[O-])Cc1cccc(F)c1 ZINC000237344581 1039343915 /nfs/dbraw/zinc/34/39/15/1039343915.db2.gz VYPJYEPEDWEICX-CYBMUJFWSA-N -1 0 329.371 3.660 20 0 EHADRM Cc1ccc(C(=O)Nc2c(C)cc(N(C)C)cc2C)cc1C(=O)[O-] ZINC000911392824 1039344175 /nfs/dbraw/zinc/34/41/75/1039344175.db2.gz PCZZFCNVHRSOBW-UHFFFAOYSA-N -1 0 326.396 3.628 20 0 EHADRM CCS(=O)(CC)=NC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000925887310 1039361265 /nfs/dbraw/zinc/36/12/65/1039361265.db2.gz YXYSIXRZTCSACB-UHFFFAOYSA-N -1 0 325.817 3.847 20 0 EHADRM Cc1cc(C(=O)N(CCC(=O)[O-])C2CC2)c(C)n1C1CCCCC1 ZINC000237670392 1039407404 /nfs/dbraw/zinc/40/74/04/1039407404.db2.gz YYXRBIPEVZPIGV-UHFFFAOYSA-N -1 0 332.444 3.689 20 0 EHADRM Cc1sc([N-]S(=O)(=O)c2cccc3cnccc32)nc1C(C)C ZINC000584666015 1039414795 /nfs/dbraw/zinc/41/47/95/1039414795.db2.gz HFLDQINRDYTRQV-UHFFFAOYSA-N -1 0 347.465 3.924 20 0 EHADRM C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1ccccc1CCC(=O)[O-] ZINC000911590275 1039433005 /nfs/dbraw/zinc/43/30/05/1039433005.db2.gz KDQUYVRBCBHYQP-YPMHNXCESA-N -1 0 343.345 3.507 20 0 EHADRM C/C(=C\C1CCC(C)CC1)C(=O)N[C@](C)(CC(=O)[O-])c1ccncc1 ZINC000911626723 1039440312 /nfs/dbraw/zinc/44/03/12/1039440312.db2.gz ULMUXHLRZSPZCI-ODTVCOQCSA-N -1 0 344.455 3.660 20 0 EHADRM Cc1cc(F)c(NC(=O)COC[C@@H](C)c2ccccc2)cc1C(=O)[O-] ZINC000911688836 1039462312 /nfs/dbraw/zinc/46/23/12/1039462312.db2.gz JKJZWBJYPBUDPP-CYBMUJFWSA-N -1 0 345.370 3.591 20 0 EHADRM CCC[C@@H](C(=O)NCc1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000911727824 1039474218 /nfs/dbraw/zinc/47/42/18/1039474218.db2.gz INPGMYGLRDDBJH-MRXNPFEDSA-N -1 0 346.814 3.633 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000911740786 1039481718 /nfs/dbraw/zinc/48/17/18/1039481718.db2.gz HDCVWGYXYDDZKQ-DLOVCJGASA-N -1 0 344.238 3.857 20 0 EHADRM Cc1cc(C)c(C(=O)N=c2nc(Sc3ccc(C)cc3)[n-]s2)o1 ZINC000489019413 1039546998 /nfs/dbraw/zinc/54/69/98/1039546998.db2.gz WGZTYBQJOBEFLY-UHFFFAOYSA-N -1 0 345.449 3.882 20 0 EHADRM Cn1ccc(CCC(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)n1 ZINC000345053625 1039601506 /nfs/dbraw/zinc/60/15/06/1039601506.db2.gz VCOILJSLHSXGPT-UHFFFAOYSA-N -1 0 348.617 3.657 20 0 EHADRM O=C([O-])C/C(=C\c1cnccn1)c1nc2cc(Cl)ccc2s1 ZINC000554779053 1039719315 /nfs/dbraw/zinc/71/93/15/1039719315.db2.gz OEKYHHPNNCXOOG-WEVVVXLNSA-N -1 0 331.784 3.755 20 0 EHADRM COc1ccccc1/C=C/c1nc(C(=O)[O-])c(Br)s1 ZINC000486004953 1039781072 /nfs/dbraw/zinc/78/10/72/1039781072.db2.gz VPSZNUBKFWJDEK-VOTSOKGWSA-N -1 0 340.198 3.783 20 0 EHADRM CSc1ccc(C)c([N-]S(=O)(=O)c2ccc(C)cc2F)c1 ZINC000553150195 1039822028 /nfs/dbraw/zinc/82/20/28/1039822028.db2.gz YWTBNXCRSKWUCR-UHFFFAOYSA-N -1 0 325.430 3.965 20 0 EHADRM CC(C)CCn1ncc([N-]S(=O)(=O)c2ccccc2)c1C(C)C ZINC000486064799 1039823836 /nfs/dbraw/zinc/82/38/36/1039823836.db2.gz CJBSGQOWFZGOQB-UHFFFAOYSA-N -1 0 335.473 3.853 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)C3CCC3)cc2)c1F ZINC000486092822 1039873766 /nfs/dbraw/zinc/87/37/66/1039873766.db2.gz SGXDDGWQECTVRP-UHFFFAOYSA-N -1 0 347.411 3.918 20 0 EHADRM CCCc1nc(=NC(=O)N[C@H](C)c2cc3cccc(F)c3o2)s[n-]1 ZINC000554936609 1039953111 /nfs/dbraw/zinc/95/31/11/1039953111.db2.gz XAAJXNYVFDNCBU-SECBINFHSA-N -1 0 348.403 3.681 20 0 EHADRM O=S(=O)(CC1CCCC1)[N-][C@H](c1ccc(F)cc1)C(F)(F)F ZINC000479122554 1039994955 /nfs/dbraw/zinc/99/49/55/1039994955.db2.gz WGEZSELLZIXLFQ-CYBMUJFWSA-N -1 0 339.354 3.539 20 0 EHADRM CC(C)(C)c1cnc(CN[C@H](CCc2ccccc2)C(=O)[O-])s1 ZINC000417556717 1039998098 /nfs/dbraw/zinc/99/80/98/1039998098.db2.gz PRZALGANRNQMTE-CQSZACIVSA-N -1 0 332.469 3.616 20 0 EHADRM O=C([O-])[C@@H](NCc1cnc(C2CCC2)s1)c1cccc(Cl)c1 ZINC000417562393 1040011341 /nfs/dbraw/zinc/01/13/41/1040011341.db2.gz MIVNHTNVQNCVDW-AWEZNQCLSA-N -1 0 336.844 3.980 20 0 EHADRM CCc1cnc(CN[C@H](C(=O)[O-])c2c(Cl)cccc2Cl)s1 ZINC000417564229 1040013140 /nfs/dbraw/zinc/01/31/40/1040013140.db2.gz OHZAGQTZJWPTOM-ZDUSSCGKSA-N -1 0 345.251 3.928 20 0 EHADRM O=C([O-])C[C@@H](NCc1csc(C2CC2)n1)c1cccc(Cl)c1 ZINC000417579426 1040028174 /nfs/dbraw/zinc/02/81/74/1040028174.db2.gz CNGBNZCYQPDIPX-CQSZACIVSA-N -1 0 336.844 3.980 20 0 EHADRM O=C([O-])CCCc1ccc(NCc2cccc3c2OCCCO3)cc1 ZINC000417584306 1040032417 /nfs/dbraw/zinc/03/24/17/1040032417.db2.gz MLRUPBYRMGVWRA-UHFFFAOYSA-N -1 0 341.407 3.867 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])[NH2+]Cc2ccc(SC)s2)c1 ZINC000417584267 1040032656 /nfs/dbraw/zinc/03/26/56/1040032656.db2.gz NFXAFFHYXGTSOG-AWEZNQCLSA-N -1 0 337.466 3.784 20 0 EHADRM COc1cc(C(=O)[O-])cc(NCc2cnc(C(C)C)s2)c1OC ZINC000417585923 1040035945 /nfs/dbraw/zinc/03/59/45/1040035945.db2.gz MMJXOQAUGRQOGK-UHFFFAOYSA-N -1 0 336.413 3.594 20 0 EHADRM CC(C)(C)OC(=O)c1cccc(CNc2ccc(CC(=O)[O-])cc2)c1 ZINC000417587834 1040042056 /nfs/dbraw/zinc/04/20/56/1040042056.db2.gz SNPQVOJDTZKHMN-UHFFFAOYSA-N -1 0 341.407 3.881 20 0 EHADRM COc1cc(CNc2cccc(C(=O)[O-])c2OC(C)C)cc(OC)c1 ZINC000417592382 1040047615 /nfs/dbraw/zinc/04/76/15/1040047615.db2.gz UBWUXJJYJZXSIG-UHFFFAOYSA-N -1 0 345.395 3.801 20 0 EHADRM COC1(CCSc2n[n-]c(=Nc3cccc(F)c3)s2)CCC1 ZINC000555005831 1040048586 /nfs/dbraw/zinc/04/85/86/1040048586.db2.gz ILCFVLISFPSIJI-UHFFFAOYSA-N -1 0 339.461 3.894 20 0 EHADRM O=C([O-])CC[C@@H]([NH2+]Cc1cnc(C(F)(F)F)s1)c1ccccc1 ZINC000417604041 1040052044 /nfs/dbraw/zinc/05/20/44/1040052044.db2.gz SZBVCEIHSAZSEJ-GFCCVEGCSA-N -1 0 344.358 3.858 20 0 EHADRM COc1cc2c(cc1CNc1ccc([C@@H](C)CC(=O)[O-])cc1)OCO2 ZINC000417605337 1040057237 /nfs/dbraw/zinc/05/72/37/1040057237.db2.gz AWIKUEHQGCWAPT-LBPRGKRZSA-N -1 0 343.379 3.614 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])[C@@H]1CCOC2(CCCC2)C1 ZINC000907446127 1040062263 /nfs/dbraw/zinc/06/22/63/1040062263.db2.gz WZYMLXVCANEZTA-SNVBAGLBSA-N -1 0 327.783 3.863 20 0 EHADRM C[C@@H](N=c1[n-]nc(C(C)(C)C)s1)c1ccc(Br)cn1 ZINC000480822961 1040065850 /nfs/dbraw/zinc/06/58/50/1040065850.db2.gz LBUYDSBCWYDWCR-MRVPVSSYSA-N -1 0 341.278 3.588 20 0 EHADRM CC(=O)Nc1ccc(CNc2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC000417619949 1040070057 /nfs/dbraw/zinc/07/00/57/1040070057.db2.gz CDZODDKPOWYVFT-UHFFFAOYSA-N -1 0 326.396 3.619 20 0 EHADRM CC(C)(C)Cc1ncc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)s1 ZINC000907550552 1040094197 /nfs/dbraw/zinc/09/41/97/1040094197.db2.gz OLAVLBCQYNIJOA-UHFFFAOYSA-N -1 0 344.436 3.633 20 0 EHADRM Cc1oc(C(C)(C)C)cc1C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000907639297 1040113041 /nfs/dbraw/zinc/11/30/41/1040113041.db2.gz IQBDRLWJYIEPFY-AWEZNQCLSA-N -1 0 327.380 3.714 20 0 EHADRM O=C([O-])c1c(F)cc(C[NH2+]Cc2cnc(C3CCC3)s2)cc1F ZINC000417651920 1040129441 /nfs/dbraw/zinc/12/94/41/1040129441.db2.gz YDSOLARQADVLTM-UHFFFAOYSA-N -1 0 338.379 3.677 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)[C@H]3C[C@@H]3c3cccc4ccccc43)[C@@H]2C1 ZINC000907941676 1040239573 /nfs/dbraw/zinc/23/95/73/1040239573.db2.gz UBYBUAVNQBHMRR-JNYDFHNISA-N -1 0 349.430 3.559 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)C(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@H]12 ZINC000907952196 1040244028 /nfs/dbraw/zinc/24/40/28/1040244028.db2.gz IBLVHVQNKUWWRP-JUZZZCAGSA-N -1 0 343.467 3.507 20 0 EHADRM CCC[C@@H](NC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1)C(=O)[O-] ZINC000908001156 1040262531 /nfs/dbraw/zinc/26/25/31/1040262531.db2.gz NJPOGDLWVSGPRK-GFCCVEGCSA-N -1 0 331.334 3.510 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cn2)cc1Cl ZINC000432955490 1040263232 /nfs/dbraw/zinc/26/32/32/1040263232.db2.gz NEKBIPQXAOHNEM-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)c1cccc(Oc2nccs2)c1 ZINC000908025374 1040266001 /nfs/dbraw/zinc/26/60/01/1040266001.db2.gz VPEPQKKAESQCDI-CYBMUJFWSA-N -1 0 348.424 3.555 20 0 EHADRM C/C=C\c1ccc(NC(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)cc1 ZINC000489948886 1040272883 /nfs/dbraw/zinc/27/28/83/1040272883.db2.gz SNAIEBIRLOZERX-ARJAWSKDSA-N -1 0 333.391 3.759 20 0 EHADRM CC1(c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)no2)CCCC1 ZINC000432957068 1040285031 /nfs/dbraw/zinc/28/50/31/1040285031.db2.gz YAKKWEMKJPDEII-UHFFFAOYSA-N -1 0 340.832 3.961 20 0 EHADRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000479485491 1040285589 /nfs/dbraw/zinc/28/55/89/1040285589.db2.gz AFYQOCBKCRPNEK-UHFFFAOYSA-N -1 0 348.449 3.804 20 0 EHADRM O=C([O-])c1ccc2c(c1)N(C(=O)CCc1ccc(C(F)F)cc1)CC2 ZINC000908067778 1040285628 /nfs/dbraw/zinc/28/56/28/1040285628.db2.gz IIVQZGCGBIGNMW-UHFFFAOYSA-N -1 0 345.345 3.844 20 0 EHADRM COCc1n[n-]c(=N[C@H]2CCc3ccc(-c4ccccc4)cc32)s1 ZINC000489984607 1040287349 /nfs/dbraw/zinc/28/73/49/1040287349.db2.gz QJMIAASWUSHKEE-KRWDZBQOSA-N -1 0 337.448 3.873 20 0 EHADRM CC(C)COc1cccc(C(=O)N(C)c2cccc(CC(=O)[O-])c2)c1 ZINC000908072628 1040287529 /nfs/dbraw/zinc/28/75/29/1040287529.db2.gz DKVRSKRYHVKVSM-UHFFFAOYSA-N -1 0 341.407 3.625 20 0 EHADRM C[C@H](CCC(=O)N(C)c1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC000908078722 1040289526 /nfs/dbraw/zinc/28/95/26/1040289526.db2.gz AVUHDVLHWFPBJP-OAHLLOKOSA-N -1 0 325.408 3.860 20 0 EHADRM CN(C(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1)c1cccc(CC(=O)[O-])c1 ZINC000908078584 1040289958 /nfs/dbraw/zinc/28/99/58/1040289958.db2.gz DKCAVGARIYTFMS-MSOLQXFVSA-N -1 0 341.382 3.609 20 0 EHADRM CC(C)(C)CC(=O)CSc1n[n-]c(=Nc2cccc(F)c2)s1 ZINC000553717106 1040359212 /nfs/dbraw/zinc/35/92/12/1040359212.db2.gz UCQXBCWCAARBJD-UHFFFAOYSA-N -1 0 339.461 3.940 20 0 EHADRM COCc1n[n-]c(=NC[C@@H](c2ccc(Cl)cc2)C(C)C)s1 ZINC000553728436 1040380368 /nfs/dbraw/zinc/38/03/68/1040380368.db2.gz UWXRWRRRNCNFTQ-CYBMUJFWSA-N -1 0 325.865 3.612 20 0 EHADRM C[C@@H]1CCC[C@H](CNC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)[C@@H]1C ZINC000479564679 1040388602 /nfs/dbraw/zinc/38/86/02/1040388602.db2.gz GRWKXDIVNWYXIR-AXHMDWHKSA-N -1 0 331.456 3.608 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)[C@@H]2CCSc3ccccc32)CCC1 ZINC000908337051 1040399914 /nfs/dbraw/zinc/39/99/14/1040399914.db2.gz SPYBRZHBXSVOPN-OAHLLOKOSA-N -1 0 347.480 3.807 20 0 EHADRM CSc1ccc(C)c(C(=O)NCCCCC2(C(=O)[O-])CCC2)c1 ZINC000908344177 1040404589 /nfs/dbraw/zinc/40/45/89/1040404589.db2.gz UVZIMFRTLBAHQF-UHFFFAOYSA-N -1 0 335.469 3.872 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1 ZINC000908366036 1040414988 /nfs/dbraw/zinc/41/49/88/1040414988.db2.gz GTDSXIACKGNYNI-SDDRHHMPSA-N -1 0 341.860 3.580 20 0 EHADRM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)Cc1c(C)cccc1C)C(F)(F)F ZINC000555343141 1040437662 /nfs/dbraw/zinc/43/76/62/1040437662.db2.gz NDAHPHQYKUJPQB-QMTHXVAHSA-N -1 0 337.407 3.700 20 0 EHADRM CC(C)c1cc(=O)n(-c2nnc(-c3ccccc3)n2-c2ccccc2)[n-]1 ZINC000614190090 1040461354 /nfs/dbraw/zinc/46/13/54/1040461354.db2.gz RSBXKKVTRNNEJF-UHFFFAOYSA-N -1 0 345.406 3.683 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nc2C)cc1Cl ZINC000193500403 1040470325 /nfs/dbraw/zinc/47/03/25/1040470325.db2.gz CCQYUOMEQSMLJE-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM COc1c(NC(=O)CCCc2sccc2C)cccc1C(=O)[O-] ZINC000908502103 1040495105 /nfs/dbraw/zinc/49/51/05/1040495105.db2.gz UJUUGGVVJNNEKI-UHFFFAOYSA-N -1 0 333.409 3.725 20 0 EHADRM COc1c(NC(=O)[C@H]2CCCc3sccc32)cccc1C(=O)[O-] ZINC000908502111 1040495126 /nfs/dbraw/zinc/49/51/26/1040495126.db2.gz UMRHMLWMFVVZTN-NSHDSACASA-N -1 0 331.393 3.514 20 0 EHADRM CCc1cc(C(=O)N=c2[n-]nc(-c3ccccc3)s2)oc1CC ZINC000486839929 1040497535 /nfs/dbraw/zinc/49/75/35/1040497535.db2.gz BNWJOGDFNVBXCW-UHFFFAOYSA-N -1 0 327.409 3.597 20 0 EHADRM CC(C)(CC(=O)Nc1nccc(Br)c1[O-])CC(F)F ZINC000913027301 1040527830 /nfs/dbraw/zinc/52/78/30/1040527830.db2.gz OBKDHSHGUNMOLW-UHFFFAOYSA-N -1 0 337.164 3.560 20 0 EHADRM C/C=C/C[C@H](NC(=O)Nc1cccc(COC(C)(C)C)c1)C(=O)[O-] ZINC000908634390 1040541337 /nfs/dbraw/zinc/54/13/37/1040541337.db2.gz IBJBAXRSDFSWBI-NFAHFFEMSA-N -1 0 334.416 3.543 20 0 EHADRM CC1(C)CO[C@H](CCC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000908684583 1040571604 /nfs/dbraw/zinc/57/16/04/1040571604.db2.gz VHNXMZWJLJYQDC-LLVKDONJSA-N -1 0 325.792 3.572 20 0 EHADRM O=C([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)[C@@H]1CC=CCC1 ZINC000042233218 1040579775 /nfs/dbraw/zinc/57/97/75/1040579775.db2.gz JCBHRZWEQAFPRN-SECBINFHSA-N -1 0 334.224 3.995 20 0 EHADRM O=C([O-])Cc1ccc(-c2cc(F)ccc2OC[C@H]2CCOC2)cc1 ZINC000567062736 1040587420 /nfs/dbraw/zinc/58/74/20/1040587420.db2.gz HILNPUXNUCHSRK-AWEZNQCLSA-N -1 0 330.355 3.535 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)N[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000486970974 1040593108 /nfs/dbraw/zinc/59/31/08/1040593108.db2.gz RVYHGOZZRSTGAV-IAGOWNOFSA-N -1 0 336.439 3.624 20 0 EHADRM CCc1cccc(F)c1CN=c1[n-]nc(Cc2ccc(F)cc2)o1 ZINC000479769841 1040609022 /nfs/dbraw/zinc/60/90/22/1040609022.db2.gz KQTRZRVEVWYVGJ-UHFFFAOYSA-N -1 0 329.350 3.535 20 0 EHADRM O=C([O-])C12CCC(C(=O)Nc3cccc(OC4CCCC4)c3)(CC1)C2 ZINC000908729799 1040612736 /nfs/dbraw/zinc/61/27/36/1040612736.db2.gz NWCKLRFDYUMKQD-UHFFFAOYSA-N -1 0 343.423 3.982 20 0 EHADRM CCN(C(=O)c1oc(C(=O)[O-])cc1C)[C@@H](C)c1cccc(OC)c1 ZINC000908738196 1040619437 /nfs/dbraw/zinc/61/94/37/1040619437.db2.gz KHXKAHHXCWWTAR-LBPRGKRZSA-N -1 0 331.368 3.518 20 0 EHADRM Cc1ccc(OC(F)F)c(CN=c2[n-]nc(Cc3ccccc3)o2)c1 ZINC000479784161 1040620770 /nfs/dbraw/zinc/62/07/70/1040620770.db2.gz XBRMOSREQWDNFB-UHFFFAOYSA-N -1 0 345.349 3.604 20 0 EHADRM Cc1ccc(Br)c(NC(=O)C2=C(C(=O)[O-])CCCC2)c1 ZINC000312646066 1040626840 /nfs/dbraw/zinc/62/68/40/1040626840.db2.gz DTNSUPBQICQTIV-UHFFFAOYSA-N -1 0 338.201 3.651 20 0 EHADRM CC(C)(CNC(=O)c1ccccc1CCC(=O)[O-])c1ccccc1F ZINC000908775265 1040630408 /nfs/dbraw/zinc/63/04/08/1040630408.db2.gz YIZAVKOTVGRZCI-UHFFFAOYSA-N -1 0 343.398 3.551 20 0 EHADRM O=C([O-])C12CCC(C(=O)NCC3(c4cccc(Cl)c4)CC3)(CC1)C2 ZINC000908826068 1040670944 /nfs/dbraw/zinc/67/09/44/1040670944.db2.gz JWPVOCJURLBLHF-UHFFFAOYSA-N -1 0 347.842 3.523 20 0 EHADRM O=C([O-])CCN(C(=O)c1sc2cccc(F)c2c1Cl)C1CC1 ZINC000908874033 1040699278 /nfs/dbraw/zinc/69/92/78/1040699278.db2.gz NFECZGDNVZLREL-UHFFFAOYSA-N -1 0 341.791 3.773 20 0 EHADRM O=C([O-])CN(C(=O)C1CCC(C(F)(F)F)CC1)C1CCCCC1 ZINC000909006184 1040738204 /nfs/dbraw/zinc/73/82/04/1040738204.db2.gz YJTZDHAQZOVJKU-UHFFFAOYSA-N -1 0 335.366 3.601 20 0 EHADRM O=C(N[C@@H](c1ccccc1)C1(CO)CCC1)c1cccc(Cl)c1[O-] ZINC001143510010 1040768239 /nfs/dbraw/zinc/76/82/39/1040768239.db2.gz RQSBDAKPCFLZPO-KRWDZBQOSA-N -1 0 345.826 3.679 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000909059478 1040781975 /nfs/dbraw/zinc/78/19/75/1040781975.db2.gz XEWMVCDVRQMEPI-BONVTDFDSA-N -1 0 331.334 3.569 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000909059476 1040783519 /nfs/dbraw/zinc/78/35/19/1040783519.db2.gz XEWMVCDVRQMEPI-BMIGLBTASA-N -1 0 331.334 3.569 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)CC(C)(C)CC(F)F)c1ccccc1 ZINC000909064719 1040787465 /nfs/dbraw/zinc/78/74/65/1040787465.db2.gz FVTSNFACWDWMNZ-ABAIWWIYSA-N -1 0 327.371 3.636 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)CC1CC(OC(C)(C)C)C1)c1ccccc1 ZINC000909065232 1040787508 /nfs/dbraw/zinc/78/75/08/1040787508.db2.gz BVUZWGZBIMYTPO-WBTBYHMDSA-N -1 0 347.455 3.548 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)nn1[C@H](C)C1CC1 ZINC000909097415 1040799873 /nfs/dbraw/zinc/79/98/73/1040799873.db2.gz RZJYSXANXSHTOB-ZQNFCJTASA-N -1 0 339.395 3.513 20 0 EHADRM Cc1sc(CC(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)nc1C(C)C ZINC000909097300 1040800023 /nfs/dbraw/zinc/80/00/23/1040800023.db2.gz QBEITMIREBJKNK-TWGQIWQCSA-N -1 0 344.436 3.854 20 0 EHADRM O=C(CCn1ccc2ccccc21)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000042248578 1040833108 /nfs/dbraw/zinc/83/31/08/1040833108.db2.gz KOZKAHXLYSSULD-UHFFFAOYSA-N -1 0 346.383 3.516 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)s1 ZINC000481408201 1040860255 /nfs/dbraw/zinc/86/02/55/1040860255.db2.gz RTXSCMJWTNHSTM-UHFFFAOYSA-N -1 0 334.422 3.766 20 0 EHADRM CCOc1ccc(Cl)cc1CCN=c1[n-]nc(C(F)F)s1 ZINC000555576478 1040860459 /nfs/dbraw/zinc/86/04/59/1040860459.db2.gz MNDSZOZJMLQDSU-UHFFFAOYSA-N -1 0 333.791 3.604 20 0 EHADRM CCCOc1cccc(F)c1Nc1ccc(S(=O)(=O)[O-])cc1 ZINC001211789930 1040883990 /nfs/dbraw/zinc/88/39/90/1040883990.db2.gz MXKQZQKABBMZRP-UHFFFAOYSA-N -1 0 325.361 3.605 20 0 EHADRM Cc1c(-c2ccccc2OC[C@H]2CCOC2)ccc(F)c1C(=O)[O-] ZINC000899634006 1040887674 /nfs/dbraw/zinc/88/76/74/1040887674.db2.gz NZSPLYYOXVNXEF-ZDUSSCGKSA-N -1 0 330.355 3.915 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccco3)nn2C(C)C)cc1 ZINC000433145911 1040902399 /nfs/dbraw/zinc/90/23/99/1040902399.db2.gz SAVGEZRBSMISCS-UHFFFAOYSA-N -1 0 345.424 3.833 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@H]2CCOC3(CCCC3)C2)cc1 ZINC000909288120 1040907761 /nfs/dbraw/zinc/90/77/61/1040907761.db2.gz GCWJSIVILZBJGZ-AWEZNQCLSA-N -1 0 345.439 3.727 20 0 EHADRM CCC[C@@H]1C[C@@H](C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CCO1 ZINC000909297920 1040914497 /nfs/dbraw/zinc/91/44/97/1040914497.db2.gz RUBMFPYJQFLOFV-XJKSGUPXSA-N -1 0 333.428 3.583 20 0 EHADRM CCCc1nc(=NC(=O)N2CCCC[C@@H]2Cc2ccccc2)s[n-]1 ZINC000570887430 1040965351 /nfs/dbraw/zinc/96/53/51/1040965351.db2.gz AJORLSCTUONYGL-OAHLLOKOSA-N -1 0 344.484 3.542 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cn(C)nc2C2CCCC2)c1 ZINC000909830427 1041015439 /nfs/dbraw/zinc/01/54/39/1041015439.db2.gz KYAONKLSSZQLKC-GFCCVEGCSA-N -1 0 341.411 3.518 20 0 EHADRM O=C([O-])c1csc(-c2cccc(CNC(=O)C3=CCCCC3)c2)n1 ZINC000909810691 1041020780 /nfs/dbraw/zinc/02/07/80/1041020780.db2.gz ZZLFQITUKNKOQR-UHFFFAOYSA-N -1 0 342.420 3.625 20 0 EHADRM CCC[C@H](CNC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1)C(=O)[O-] ZINC000909811243 1041020825 /nfs/dbraw/zinc/02/08/25/1041020825.db2.gz FLHYHBKLCMVTLQ-ZWNOBZJWSA-N -1 0 331.334 3.583 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2scnc2C2CCCC2)cc1F ZINC000909848117 1041026828 /nfs/dbraw/zinc/02/68/28/1041026828.db2.gz ZLIUERFAXBFYLI-UHFFFAOYSA-N -1 0 348.399 3.819 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@H]2CCCc3c(O)cccc32)c1 ZINC000909832412 1041029024 /nfs/dbraw/zinc/02/90/24/1041029024.db2.gz SUODUVTZGGCVQK-PXAZEXFGSA-N -1 0 339.391 3.639 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@@H](c1ccncc1)C1CCCC1)CC(=O)[O-] ZINC000909874202 1041043415 /nfs/dbraw/zinc/04/34/15/1041043415.db2.gz AHNUXBMXNKJDID-HNAYVOBHSA-N -1 0 346.471 3.609 20 0 EHADRM CC[C@@H]1CCCN1C(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1 ZINC000481546361 1041054862 /nfs/dbraw/zinc/05/48/62/1041054862.db2.gz RTNXHBIGXJIBHX-GFCCVEGCSA-N -1 0 336.848 3.687 20 0 EHADRM Cc1cccc(NC(=O)[C@H](CC(=O)[O-])CC(C)C)c1Br ZINC000899781569 1041106170 /nfs/dbraw/zinc/10/61/70/1041106170.db2.gz OANGCINILKWFSJ-NSHDSACASA-N -1 0 342.233 3.833 20 0 EHADRM Cc1c(NC(=O)[C@@H](CC(=O)[O-])CC(C)C)cccc1-c1ncco1 ZINC000899785170 1041121734 /nfs/dbraw/zinc/12/17/34/1041121734.db2.gz DXCXLXZTRAVJLC-CYBMUJFWSA-N -1 0 330.384 3.726 20 0 EHADRM C[C@H](C(=O)N[C@@H]1CCC[C@@]1(C)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000909996334 1041133414 /nfs/dbraw/zinc/13/34/14/1041133414.db2.gz PXCZCYBAODPRQO-OWRWGESLSA-N -1 0 343.345 3.569 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N2CC[C@@H](c3ccccc3)C2)C(=O)[O-])cc1 ZINC000899798421 1041133850 /nfs/dbraw/zinc/13/38/50/1041133850.db2.gz JWGWAPIPKIBEJC-RTBURBONSA-N -1 0 337.419 3.569 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N[C@H](c2cccs2)C2CC2)C(=O)[O-])cc1 ZINC000899796662 1041148490 /nfs/dbraw/zinc/14/84/90/1041148490.db2.gz NVWHFDNPTGTUCC-QAPCUYQASA-N -1 0 343.448 3.882 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000570996132 1041161809 /nfs/dbraw/zinc/16/18/09/1041161809.db2.gz DMDIXIQQGSBAIS-UHFFFAOYSA-N -1 0 334.416 3.583 20 0 EHADRM O=C(Nc1ccc(Br)cc1O)[C@@H]1CCCc2cccnc21 ZINC000571011189 1041162967 /nfs/dbraw/zinc/16/29/67/1041162967.db2.gz JYJUHYOFLCHYLL-GFCCVEGCSA-N -1 0 347.212 3.608 20 0 EHADRM CC/C=C(\C)C(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC000910080806 1041165273 /nfs/dbraw/zinc/16/52/73/1041165273.db2.gz AWBSBMGGXGBACW-VMPITWQZSA-N -1 0 326.190 3.751 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000899825442 1041171192 /nfs/dbraw/zinc/17/11/92/1041171192.db2.gz AYVQOBFUHQDNNK-UPJWGTAASA-N -1 0 337.382 3.703 20 0 EHADRM CC[C@@H](Sc1cc(C(F)(F)F)nc(-c2ccncc2)n1)C(=O)[O-] ZINC000571093112 1041180370 /nfs/dbraw/zinc/18/03/70/1041180370.db2.gz DGQWGBALYVADSD-SECBINFHSA-N -1 0 343.330 3.513 20 0 EHADRM CCCC[C@@H](C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])cs1)C(C)C ZINC000910101611 1041190155 /nfs/dbraw/zinc/19/01/55/1041190155.db2.gz IHVBTLRBJCAFEO-OCCSQVGLSA-N -1 0 338.473 3.967 20 0 EHADRM CC(C)(CC(=O)N1CCC[C@H]1c1nc(C(=O)[O-])cs1)CC(F)F ZINC000910100922 1041190286 /nfs/dbraw/zinc/19/02/86/1041190286.db2.gz DUFADNLDYNRNTD-JTQLQIEISA-N -1 0 346.399 3.576 20 0 EHADRM CC1(C)CCC[C@@H](C(=O)N2CCC[C@@H]2c2nc(C(=O)[O-])cs2)C1 ZINC000910106072 1041192229 /nfs/dbraw/zinc/19/22/29/1041192229.db2.gz FZOWESVDTJYEPO-DGCLKSJQSA-N -1 0 336.457 3.721 20 0 EHADRM O=C([O-])c1csc([C@@H]2CCCN2C(=O)C2[C@@H]3CCCCCC[C@@H]23)n1 ZINC000910104181 1041192440 /nfs/dbraw/zinc/19/24/40/1041192440.db2.gz POYSRHGDECMNPK-BZPMIXESSA-N -1 0 348.468 3.721 20 0 EHADRM CC(C)(C)C1CC(C(=O)N2CCC[C@@H]2c2nc(C(=O)[O-])cs2)C1 ZINC000910109885 1041195000 /nfs/dbraw/zinc/19/50/00/1041195000.db2.gz LRTBIUFXCWBDMG-GCZXYKMCSA-N -1 0 336.457 3.577 20 0 EHADRM CCC[C@]1(C(=O)[O-])CCCN1C(=O)c1cc(C)n(C2CCCCC2)n1 ZINC000910116670 1041195189 /nfs/dbraw/zinc/19/51/89/1041195189.db2.gz XWOPZPUFFWEGGL-LJQANCHMSA-N -1 0 347.459 3.556 20 0 EHADRM CC1(C)C[C@@H](CNC(=O)CC2(C(=O)[O-])CCCCCC2)C(C)(C)O1 ZINC000899847283 1041203118 /nfs/dbraw/zinc/20/31/18/1041203118.db2.gz NYRPKURRMZLKHJ-AWEZNQCLSA-N -1 0 339.476 3.512 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)NC1(C2CCCCC2)CC1)c1ccsc1 ZINC000899855165 1041234921 /nfs/dbraw/zinc/23/49/21/1041234921.db2.gz SRKPULBTDAYLAJ-KRWDZBQOSA-N -1 0 335.469 3.710 20 0 EHADRM C[C@H](c1ccccc1)N(C)C(=O)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000392155663 1041357732 /nfs/dbraw/zinc/35/77/32/1041357732.db2.gz AFPSSLZCEXCVEO-QRWLVFNGSA-N -1 0 325.408 3.639 20 0 EHADRM O=C([O-])CN(CCc1ccccc1)C(=O)CC/C=C\c1ccccc1 ZINC000431998717 1041455533 /nfs/dbraw/zinc/45/55/33/1041455533.db2.gz AFQAXIICXZEMRV-QPEQYQDCSA-N -1 0 337.419 3.636 20 0 EHADRM Cc1nc(-c2ccc(S(=O)(=O)Nc3cc(C)ccc3F)cc2)co1 ZINC000110096419 1041499821 /nfs/dbraw/zinc/49/98/21/1041499821.db2.gz FVFXNHMOIAXWGO-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM CC(C)c1ccc(CCC(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])cc1 ZINC000432093773 1041583860 /nfs/dbraw/zinc/58/38/60/1041583860.db2.gz FGMLMDSHOKYFIR-XLIONFOSSA-N -1 0 331.456 3.892 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000432110215 1041602475 /nfs/dbraw/zinc/60/24/75/1041602475.db2.gz HQVVMIYMMRRPGO-NBQZKYEYSA-N -1 0 347.455 3.729 20 0 EHADRM Cc1cc(CCCC(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])c(C)s1 ZINC000432113758 1041606262 /nfs/dbraw/zinc/60/62/62/1041606262.db2.gz IMHCKDGEDWRKPN-QAPCUYQASA-N -1 0 337.485 3.837 20 0 EHADRM C[C@@]1(NC(=O)c2cc3cc(F)ccc3s2)CCCC[C@@H]1C(=O)[O-] ZINC000432114756 1041610864 /nfs/dbraw/zinc/61/08/64/1041610864.db2.gz VQSGQTRIRYKRRK-SJKOYZFVSA-N -1 0 335.400 3.804 20 0 EHADRM CN(Cc1c([O-])nnn1-c1ccccc1)Cc1cccc2ccccc21 ZINC000511792608 1041618412 /nfs/dbraw/zinc/61/84/12/1041618412.db2.gz OEBPOVROELQPJH-UHFFFAOYSA-N -1 0 344.418 3.758 20 0 EHADRM Cc1ccc([C@H]2CCCN2Cc2c([O-])nnn2-c2ccccc2)cc1 ZINC000511815447 1041651524 /nfs/dbraw/zinc/65/15/24/1041651524.db2.gz XNECNIAMPYQKOI-GOSISDBHSA-N -1 0 334.423 3.618 20 0 EHADRM FC(F)(F)COCc1ccc(CN=c2[n-]nc(C3CC3)s2)cc1 ZINC000432151153 1041653760 /nfs/dbraw/zinc/65/37/60/1041653760.db2.gz QCVREZCQWVJBIH-UHFFFAOYSA-N -1 0 343.374 3.528 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000013173632 1041667265 /nfs/dbraw/zinc/66/72/65/1041667265.db2.gz LCGGUJRHCSWHCU-CQSZACIVSA-N -1 0 338.190 3.939 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccc2nc(C3CC3)oc2c1 ZINC000432190344 1041728651 /nfs/dbraw/zinc/72/86/51/1041728651.db2.gz FRMKIPYWJIWVIG-UHFFFAOYSA-N -1 0 334.422 3.876 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1c1ccnc2c(Br)cccc21 ZINC000662893026 1042206428 /nfs/dbraw/zinc/20/64/28/1042206428.db2.gz JATNRUYRWWQHCI-MNOVXSKESA-N -1 0 349.228 3.687 20 0 EHADRM Cc1ccc(CCC(=O)N[C@H](CC(=O)[O-])c2ccccc2C)s1 ZINC000909372929 1042269593 /nfs/dbraw/zinc/26/95/93/1042269593.db2.gz QTNKTWFLRISGMA-MRXNPFEDSA-N -1 0 331.437 3.630 20 0 EHADRM C[C@H](NC(=O)[C@H](C(=O)[O-])C(C)(C)C)c1ccc(-c2cccnc2)cc1 ZINC000663038723 1042376623 /nfs/dbraw/zinc/37/66/23/1042376623.db2.gz JGXBXUNVIQSVQH-SUMWQHHRSA-N -1 0 340.423 3.673 20 0 EHADRM C[C@@H](N=c1nc(-c2ccccc2)o[n-]1)c1ccc(-n2cccn2)c(F)c1 ZINC000549578042 1042391325 /nfs/dbraw/zinc/39/13/25/1042391325.db2.gz CZNBHKMFMIHFNX-CYBMUJFWSA-N -1 0 349.369 3.656 20 0 EHADRM CC(C)C[C@@H](C)Oc1cc(CN=c2[n-]nc(C3CC3)s2)ccn1 ZINC000432239547 1042410419 /nfs/dbraw/zinc/41/04/19/1042410419.db2.gz DXCGSMYDFJDOMK-GFCCVEGCSA-N -1 0 332.473 3.658 20 0 EHADRM Cc1ccc(-c2csc(NC(=O)C3(C(=O)[O-])CCC3)n2)cc1C ZINC000663074422 1042422201 /nfs/dbraw/zinc/42/22/01/1042422201.db2.gz BCAQLWRKVVMFSH-UHFFFAOYSA-N -1 0 330.409 3.620 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)ccc1Oc1cccnc1 ZINC000663111861 1042462811 /nfs/dbraw/zinc/46/28/11/1042462811.db2.gz UXIZDINRFSGCLO-INIZCTEOSA-N -1 0 342.395 3.868 20 0 EHADRM C[C@H]1CO[C@@H](c2ccccc2Cl)CN1Cc1cc(C(=O)[O-])co1 ZINC000652413242 1042464535 /nfs/dbraw/zinc/46/45/35/1042464535.db2.gz FQJNSTBFQWUHDT-MEDUHNTESA-N -1 0 335.787 3.593 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2cc3c(s2)CCCC3)n1 ZINC000659185547 1042472480 /nfs/dbraw/zinc/47/24/80/1042472480.db2.gz QAHSBMCSYYMBPU-GFCCVEGCSA-N -1 0 347.440 3.502 20 0 EHADRM CCC(CC)(CC(=O)N[C@H](c1ccco1)c1ccccc1)C(=O)[O-] ZINC000055008940 1042478392 /nfs/dbraw/zinc/47/83/92/1042478392.db2.gz IWCRXAHXYYCKPM-KRWDZBQOSA-N -1 0 329.396 3.766 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663146620 1042491808 /nfs/dbraw/zinc/49/18/08/1042491808.db2.gz HGEFOTGHNUFLAK-HNNXBMFYSA-N -1 0 337.847 3.526 20 0 EHADRM C[C@H](CNC(=O)c1cc(F)c([O-])c(Cl)c1)Oc1cccc(F)c1 ZINC000184451785 1042549426 /nfs/dbraw/zinc/54/94/26/1042549426.db2.gz PMTGDTWSQVLPGM-SECBINFHSA-N -1 0 341.741 3.521 20 0 EHADRM CCS[C@H]1CC[C@@H](N(C)C(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000184459806 1042551416 /nfs/dbraw/zinc/55/14/16/1042551416.db2.gz XJBBRNWMBRGWAR-MNOVXSKESA-N -1 0 331.840 3.931 20 0 EHADRM CCS[C@H]1CCC[C@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000184477521 1042555425 /nfs/dbraw/zinc/55/54/25/1042555425.db2.gz OYNRGSVEGWQGGK-QWRGUYRKSA-N -1 0 331.840 3.979 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CC3(F)F)cc2)s1 ZINC000663261524 1042608709 /nfs/dbraw/zinc/60/87/09/1042608709.db2.gz LZVUMEAMFKPVKG-LBPRGKRZSA-N -1 0 345.392 3.644 20 0 EHADRM CCCn1nccc1CN[C@@]1(C(=O)[O-])C[C@H](C(C)C)c2ccccc21 ZINC000663259745 1042609565 /nfs/dbraw/zinc/60/95/65/1042609565.db2.gz HIAZAMBAKOVBEF-XLIONFOSSA-N -1 0 341.455 3.506 20 0 EHADRM Oc1ccc(Oc2ccccc2)cc1-c1nc(-c2cnccn2)no1 ZINC000184878696 1042620682 /nfs/dbraw/zinc/62/06/82/1042620682.db2.gz IKTZNJWPJNTLLI-UHFFFAOYSA-N -1 0 332.319 3.692 20 0 EHADRM Cc1ccc(-c2ccncc2)cc1NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-] ZINC000601980997 1042654018 /nfs/dbraw/zinc/65/40/18/1042654018.db2.gz DFQHHISNJYTRGI-STQMWFEESA-N -1 0 344.436 3.590 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000236943200 1042660927 /nfs/dbraw/zinc/66/09/27/1042660927.db2.gz YFYSXWSGLSRDEZ-WCQYABFASA-N -1 0 338.473 3.933 20 0 EHADRM CCc1ncc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)cn1 ZINC000161927955 1042699210 /nfs/dbraw/zinc/69/92/10/1042699210.db2.gz HSXCCIHVSYQCHN-UHFFFAOYSA-N -1 0 347.827 3.646 20 0 EHADRM Cc1ccc(OC(F)F)c(CNC(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000186860320 1042718583 /nfs/dbraw/zinc/71/85/83/1042718583.db2.gz RDCAVBPFXYUMCP-UHFFFAOYSA-N -1 0 343.276 3.510 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)Nc1ccccc1OC1CCCC1)C1CCC1 ZINC000663342528 1042725824 /nfs/dbraw/zinc/72/58/24/1042725824.db2.gz ZLZYXYNLWTVXGX-HNNXBMFYSA-N -1 0 346.427 3.630 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1cc(-c2ccccc2)on1 ZINC000186991198 1042738918 /nfs/dbraw/zinc/73/89/18/1042738918.db2.gz OCOYAWZVCITCOO-UHFFFAOYSA-N -1 0 346.433 3.864 20 0 EHADRM CC1(C)CC[C@H](NC(=O)N=c2[n-]nc(C3CC3)s2)c2ccccc21 ZINC000549611319 1042842478 /nfs/dbraw/zinc/84/24/78/1042842478.db2.gz DBCTUEQVWPGHLX-AWEZNQCLSA-N -1 0 342.468 3.772 20 0 EHADRM CC(C)(CN=c1[n-]nc(C(F)F)o1)c1cccc(C(F)(F)F)c1 ZINC000432320140 1042854078 /nfs/dbraw/zinc/85/40/78/1042854078.db2.gz MCKMUXQSNWWOGZ-UHFFFAOYSA-N -1 0 335.276 3.838 20 0 EHADRM CC[C@H](CC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC000653331234 1042867640 /nfs/dbraw/zinc/86/76/40/1042867640.db2.gz OOWMXZJIILMTNM-MDASCCDHSA-N -1 0 337.419 4.000 20 0 EHADRM CCCCOc1ccc(CN[C@@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC000563145883 1042938752 /nfs/dbraw/zinc/93/87/52/1042938752.db2.gz FVUFPUZTDFAOQT-LBPRGKRZSA-N -1 0 334.441 3.871 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cnccc2-c2ccccc2)cc1 ZINC000432360827 1042997233 /nfs/dbraw/zinc/99/72/33/1042997233.db2.gz YAACNPQVNOKWSK-UHFFFAOYSA-N -1 0 340.404 3.558 20 0 EHADRM O=C([O-])c1cc(NCc2csc(-c3ccccn3)n2)ccc1F ZINC000319756125 1043033040 /nfs/dbraw/zinc/03/30/40/1043033040.db2.gz VITFOORHJWAMOI-UHFFFAOYSA-N -1 0 329.356 3.655 20 0 EHADRM CS[C@H]1CCC[C@@H](Nc2ncnc3sc(C(=O)[O-])c(C)c32)C1 ZINC000318679036 1043111611 /nfs/dbraw/zinc/11/16/11/1043111611.db2.gz XFGGPYVZOHQHNG-ZJUUUORDSA-N -1 0 337.470 3.784 20 0 EHADRM Fc1ccc2nc(CN=c3[n-]nc(C4CCCCC4)o3)sc2c1 ZINC000432433100 1043215173 /nfs/dbraw/zinc/21/51/73/1043215173.db2.gz ZKAYUXJAKZORLY-UHFFFAOYSA-N -1 0 332.404 3.900 20 0 EHADRM O=C([O-])CN(C(=O)Nc1ccc(F)c(C(F)(F)F)c1)C1CCCC1 ZINC000324666882 1043327028 /nfs/dbraw/zinc/32/70/28/1043327028.db2.gz JCAHCXIENNSWLB-UHFFFAOYSA-N -1 0 348.296 3.706 20 0 EHADRM Cc1ccc(OC(F)F)c(CNC(=O)c2c(F)ccc(O)c2F)c1 ZINC000348849029 1043497315 /nfs/dbraw/zinc/49/73/15/1043497315.db2.gz PTPLCUHCKQHMTH-UHFFFAOYSA-N -1 0 343.276 3.510 20 0 EHADRM CCc1cc(NC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])ccc1C ZINC000327552223 1043566275 /nfs/dbraw/zinc/56/62/75/1043566275.db2.gz BFJWJNBBMGRRCO-SFHVURJKSA-N -1 0 338.407 3.601 20 0 EHADRM Cc1ccc(NC(=O)c2c([O-])cccc2F)cc1C(=O)N(C)C(C)C ZINC000279252181 1043643799 /nfs/dbraw/zinc/64/37/99/1043643799.db2.gz VPVVYWBPYJJUKI-UHFFFAOYSA-N -1 0 344.386 3.572 20 0 EHADRM CC[C@H](N=c1nc([C@H](C)OC)[n-]s1)c1ccccc1OC(F)F ZINC000509734631 1043729578 /nfs/dbraw/zinc/72/95/78/1043729578.db2.gz YFZRQGQOPYJJIQ-ONGXEEELSA-N -1 0 343.399 3.832 20 0 EHADRM O=C(Nc1nc2c(s1)CCCC2)c1cc(F)c([O-])c(Cl)c1 ZINC000187134492 1043854625 /nfs/dbraw/zinc/85/46/25/1043854625.db2.gz VANCNNDLGKYRAB-UHFFFAOYSA-N -1 0 326.780 3.772 20 0 EHADRM C[C@@H](C(=O)N1CCC(C)(C(=O)[O-])CC1)c1ccc2ccccc2c1 ZINC000647762373 1044447720 /nfs/dbraw/zinc/44/77/20/1044447720.db2.gz ZYHBGDFKHKUZOI-CQSZACIVSA-N -1 0 325.408 3.657 20 0 EHADRM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647761948 1044453844 /nfs/dbraw/zinc/45/38/44/1044453844.db2.gz BOKKOCSXCFYERD-OAHLLOKOSA-N -1 0 346.471 3.778 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)c1ccc(Oc2ccccc2)cc1)C1CC1 ZINC000262619781 1044771890 /nfs/dbraw/zinc/77/18/90/1044771890.db2.gz MLWNLSHIAOXKSE-ZDUSSCGKSA-N -1 0 325.364 3.557 20 0 EHADRM Cn1[n-]c(C(=O)N2CCC[C@]2(C)Cc2cccc3ccccc32)cc1=O ZINC000620586223 1125601231 /nfs/dbraw/zinc/60/12/31/1125601231.db2.gz UVPNLOJJBMYYCX-OAQYLSRUSA-N -1 0 349.434 3.516 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CC[C@H](Cc2ccccc2)C1 ZINC000153947716 1125678331 /nfs/dbraw/zinc/67/83/31/1125678331.db2.gz MQTAXSMEMHPTTK-CYBMUJFWSA-N -1 0 333.790 3.890 20 0 EHADRM CC(C)NC(=O)Nc1ccccc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000154494336 1125723095 /nfs/dbraw/zinc/72/30/95/1125723095.db2.gz IYFDVJMZPKUMNM-UHFFFAOYSA-N -1 0 347.802 3.828 20 0 EHADRM O=C([O-])[C@@H](Cc1ccccc1)NCc1csc(C2CCCCC2)n1 ZINC001601659768 1126224344 /nfs/dbraw/zinc/22/43/44/1126224344.db2.gz KXPCIZDXGXHQMH-QGZVFWFLSA-N -1 0 344.480 3.976 20 0 EHADRM Cc1csc([C@H](C)CNC(=O)c2cccc(C(F)(F)F)c2[O-])n1 ZINC000622508310 1126711788 /nfs/dbraw/zinc/71/17/88/1126711788.db2.gz QPAGWDZQLATQOD-MRVPVSSYSA-N -1 0 344.358 3.709 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)C[C@@]1(C(=O)[O-])CCSC1)c1ccccc1 ZINC000622602094 1126727824 /nfs/dbraw/zinc/72/78/24/1126727824.db2.gz REZDPXITBXPNMV-BEFAXECRSA-N -1 0 349.496 3.878 20 0 EHADRM O=S(=O)([N-]c1ccc2ncsc2c1)c1cc(F)ccc1Cl ZINC000171263317 1126758724 /nfs/dbraw/zinc/75/87/24/1126758724.db2.gz XSXIIIOJYSRHJU-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM O=C(Cc1ccc(OC(F)F)cc1)Nc1cccc(Cl)c1[O-] ZINC000172109676 1126781078 /nfs/dbraw/zinc/78/10/78/1126781078.db2.gz SNIKHHWFAYGDEN-UHFFFAOYSA-N -1 0 327.714 3.828 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1cccc(OCC(F)(F)F)n1 ZINC000172404413 1126792607 /nfs/dbraw/zinc/79/26/07/1126792607.db2.gz FMNCFRCPDVFEIO-UHFFFAOYSA-N -1 0 346.692 3.634 20 0 EHADRM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000325018728 1126822347 /nfs/dbraw/zinc/82/23/47/1126822347.db2.gz DZAPZWAAMKIPRW-NXIHDVOMSA-N -1 0 345.782 3.844 20 0 EHADRM CC(C)Cc1nc(=NC(=O)c2c(Cl)cc(F)cc2Cl)s[n-]1 ZINC000622940179 1126833208 /nfs/dbraw/zinc/83/32/08/1126833208.db2.gz SYQZNRMGAAQKFZ-UHFFFAOYSA-N -1 0 348.230 3.857 20 0 EHADRM O=C(NCc1ccc(C(F)F)cc1)c1ccc2[n-]c(=S)oc2c1 ZINC000185410613 1126887311 /nfs/dbraw/zinc/88/73/11/1126887311.db2.gz CXWWKQZQXZOMIS-UHFFFAOYSA-N -1 0 334.347 3.984 20 0 EHADRM CN(CCc1ccc(F)cc1)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000073038401 1126989004 /nfs/dbraw/zinc/98/90/04/1126989004.db2.gz SPLBIZAAHDNJDG-UHFFFAOYSA-N -1 0 330.384 3.944 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(C)c(OC(F)F)c2)c(C)o1 ZINC000182800463 1127348532 /nfs/dbraw/zinc/34/85/32/1127348532.db2.gz OJHNWCULDADKGS-UHFFFAOYSA-N -1 0 331.340 3.607 20 0 EHADRM Cc1cc2cccnc2c(NC(=O)c2cc(F)c(F)c([O-])c2F)c1 ZINC000183682028 1127383771 /nfs/dbraw/zinc/38/37/71/1127383771.db2.gz COTNGEZEUAAADP-UHFFFAOYSA-N -1 0 332.281 3.918 20 0 EHADRM Cc1noc(C(C)C)c1[N-]S(=O)(=O)c1cc(C)cc2cccnc21 ZINC000901764654 1127439251 /nfs/dbraw/zinc/43/92/51/1127439251.db2.gz PKDXJFHYKPWSAN-UHFFFAOYSA-N -1 0 345.424 3.764 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2nnc(C3CCCCC3)o2)cc1 ZINC000194785808 1127467110 /nfs/dbraw/zinc/46/71/10/1127467110.db2.gz NSUOFTZPJVGRSW-UHFFFAOYSA-N -1 0 349.456 3.871 20 0 EHADRM O=C([O-])c1ccccc1COc1cccc(C=Cc2nccc(=O)[nH]2)c1 ZINC000764434603 1127493775 /nfs/dbraw/zinc/49/37/75/1127493775.db2.gz KPQSSIUUFFZTBO-HJWRWDBZSA-N -1 0 348.358 3.630 20 0 EHADRM COc1cc(C)c(/C=C/c2ncc(/C=C/C(=O)[O-])s2)cc1OC ZINC000083536278 1127650160 /nfs/dbraw/zinc/65/01/60/1127650160.db2.gz HZXGCQLUCHZVBV-YDFGWWAZSA-N -1 0 331.393 3.737 20 0 EHADRM CC(C)(C)n1nccc1[N-]S(=O)(=O)c1csc2ccccc21 ZINC000671668719 1127807997 /nfs/dbraw/zinc/80/79/97/1127807997.db2.gz WOZOEVSRTLPJHE-UHFFFAOYSA-N -1 0 335.454 3.654 20 0 EHADRM CCCCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000032630209 1127854392 /nfs/dbraw/zinc/85/43/92/1127854392.db2.gz ZHMYLTAMOYQGFZ-UHFFFAOYSA-N -1 0 349.452 3.983 20 0 EHADRM O=C([O-])c1cnc(-c2ccccc2)nc1/C=C/c1cccc([N+](=O)[O-])c1 ZINC000038929269 1127871645 /nfs/dbraw/zinc/87/16/45/1127871645.db2.gz XPCXUHORLVZLLS-MDZDMXLPSA-N -1 0 347.330 3.920 20 0 EHADRM CCCCOc1cccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)c1 ZINC000057120818 1128037816 /nfs/dbraw/zinc/03/78/16/1128037816.db2.gz DYRFUWNHGGQPKI-UHFFFAOYSA-N -1 0 345.424 3.543 20 0 EHADRM CCC(CC)(CNC(=O)c1cc(C)cc(C=O)c1O)C(F)(F)F ZINC001649064548 1128115014 /nfs/dbraw/zinc/11/50/14/1128115014.db2.gz BTTPRFJFGNQORN-UHFFFAOYSA-N -1 0 331.334 3.612 20 0 EHADRM CCN(C(=O)c1nc2ccccc2c(=O)[nH]1)[C@@H](C)c1ccc(F)cc1 ZINC000066888861 1128229794 /nfs/dbraw/zinc/22/97/94/1128229794.db2.gz ONXJNZJIOYPSBH-LBPRGKRZSA-N -1 0 339.370 3.698 20 0 EHADRM CCOc1ccc(CCNC(=O)c2cc(F)cc(Cl)c2[O-])cc1 ZINC001649099724 1128236717 /nfs/dbraw/zinc/23/67/17/1128236717.db2.gz ADOLXNNITYYHJR-UHFFFAOYSA-N -1 0 337.778 3.556 20 0 EHADRM CC(C)c1cc(C(=O)[N-]c2nnc(Cc3ccc(F)cc3)s2)on1 ZINC000070856680 1128296011 /nfs/dbraw/zinc/29/60/11/1128296011.db2.gz GJIAZXBTZOXJGF-UHFFFAOYSA-N -1 0 346.387 3.632 20 0 EHADRM Cc1nc2ccc([N-]S(=O)(=O)c3cc(C)c(F)cc3F)cc2o1 ZINC000084649969 1128344388 /nfs/dbraw/zinc/34/43/88/1128344388.db2.gz NNBXLEOJCXGZOM-UHFFFAOYSA-N -1 0 338.335 3.524 20 0 EHADRM O=C(Cc1coc2ccc3ccccc3c12)[N-]S(=O)(=O)CC1CC1 ZINC000073538193 1128395042 /nfs/dbraw/zinc/39/50/42/1128395042.db2.gz VBFLWKRVNKTDAZ-UHFFFAOYSA-N -1 0 343.404 3.825 20 0 EHADRM O=C(Nc1ccc(-c2nc[nH]n2)cc1)c1ccc2[n-]c(=S)oc2c1 ZINC000073568414 1128411710 /nfs/dbraw/zinc/41/17/10/1128411710.db2.gz YYGMACYPELDEKR-UHFFFAOYSA-N -1 0 337.364 3.528 20 0 EHADRM CC[C@H](N=c1[n-]nc(C2CCOCC2)s1)c1cc(F)ccc1F ZINC000338671927 1128445133 /nfs/dbraw/zinc/44/51/33/1128445133.db2.gz GXHQGTCYYSLHSO-AWEZNQCLSA-N -1 0 339.411 3.695 20 0 EHADRM CC(C)Oc1ccc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000055149595 1128506662 /nfs/dbraw/zinc/50/66/62/1128506662.db2.gz YLHLZLHNBYKOIS-KRWDZBQOSA-N -1 0 327.380 3.671 20 0 EHADRM CC[C@H](NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccc(C)cc1 ZINC000655858918 1128509258 /nfs/dbraw/zinc/50/92/58/1128509258.db2.gz BJVNVHKZVWZJCJ-XBVQOTNRSA-N -1 0 346.471 3.881 20 0 EHADRM Cc1cccc([C@H](C)CNC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000655869927 1128514853 /nfs/dbraw/zinc/51/48/53/1128514853.db2.gz SOGUMVQKZYRAQK-TXCZRRACSA-N -1 0 346.471 3.533 20 0 EHADRM O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1c(O)cccc1Cl ZINC000765843959 1128546898 /nfs/dbraw/zinc/54/68/98/1128546898.db2.gz UQCQMYRLPKMAEZ-CJNGLKHVSA-N -1 0 331.799 3.696 20 0 EHADRM CC(C)(C)c1n[n-]c(=NCc2cccc(OCc3ccccc3)c2)o1 ZINC000542755641 1128575352 /nfs/dbraw/zinc/57/53/52/1128575352.db2.gz UAKRUCFRLFOQJO-UHFFFAOYSA-N -1 0 337.423 3.980 20 0 EHADRM Cc1ccc(NC(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])nc1 ZINC000303818583 1128699111 /nfs/dbraw/zinc/69/91/11/1128699111.db2.gz FBVUSTPOEWTEHJ-UHFFFAOYSA-N -1 0 336.395 3.657 20 0 EHADRM CCCCCNS(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000303897751 1128706090 /nfs/dbraw/zinc/70/60/90/1128706090.db2.gz VPJZJVYWQOQHOX-UHFFFAOYSA-N -1 0 329.771 3.827 20 0 EHADRM Cc1ccc(SC[C@H](C)N=c2[n-]nc(C3CCOCC3)s2)cc1 ZINC000338702476 1128714090 /nfs/dbraw/zinc/71/40/90/1128714090.db2.gz YFPOMNROKSLRFF-ZDUSSCGKSA-N -1 0 349.525 3.755 20 0 EHADRM Cn1nc(-c2ccncc2)cc1NC(=O)c1cc(O)c2ccccc2c1 ZINC000354524660 1128752189 /nfs/dbraw/zinc/75/21/89/1128752189.db2.gz BRSPIGRIJULAPK-UHFFFAOYSA-N -1 0 344.374 3.593 20 0 EHADRM COC(=O)c1cc(NC(=O)c2cccc(Cl)c2[O-])c(C)cc1C ZINC001128161124 1128843025 /nfs/dbraw/zinc/84/30/25/1128843025.db2.gz UHGQEQZAEVYHAL-UHFFFAOYSA-N -1 0 333.771 3.701 20 0 EHADRM O=C([O-])[C@]1(CC(=O)Nc2cccc(-c3ccccc3)c2)CCSC1 ZINC000672248730 1128880216 /nfs/dbraw/zinc/88/02/16/1128880216.db2.gz BZPMNDUDOUVAEY-IBGZPJMESA-N -1 0 341.432 3.890 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2c(F)cccc2Cl)c(C)c1O ZINC000184808722 1120388049 /nfs/dbraw/zinc/38/80/49/1120388049.db2.gz VEBPEHGLFDVPPH-UHFFFAOYSA-N -1 0 329.780 3.602 20 0 EHADRM CCc1noc(C)c1[N-]C(=O)c1cc(COc2ccccc2F)on1 ZINC000185943562 1120437149 /nfs/dbraw/zinc/43/71/49/1120437149.db2.gz LYMOTTOTCQEXJW-UHFFFAOYSA-N -1 0 345.330 3.504 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc(F)c(F)c([O-])c2F)c2c(O)cccc21 ZINC000186297972 1120454225 /nfs/dbraw/zinc/45/42/25/1120454225.db2.gz PSSWLMSUSSSBFJ-QMMMGPOBSA-N -1 0 337.297 3.669 20 0 EHADRM CC[C@H](C)[C@H](C)N(C(=O)c1nn(-c2ccccc2)cc1[O-])C1CC1 ZINC000162977844 1120557187 /nfs/dbraw/zinc/55/71/87/1120557187.db2.gz RSGAILZIZASSJQ-KBPBESRZSA-N -1 0 327.428 3.617 20 0 EHADRM Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000189306906 1120576783 /nfs/dbraw/zinc/57/67/83/1120576783.db2.gz YYHJRBJOMXJFHA-UHFFFAOYSA-N -1 0 345.342 3.606 20 0 EHADRM CCc1c([N-]S(=O)(=O)c2cccs2)cnn1-c1cccc(C)c1 ZINC000189459359 1120588001 /nfs/dbraw/zinc/58/80/01/1120588001.db2.gz AZVHMVBCAVPPNT-UHFFFAOYSA-N -1 0 347.465 3.605 20 0 EHADRM CC[C@H]1CCCN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O ZINC000494552981 1120601065 /nfs/dbraw/zinc/60/10/65/1120601065.db2.gz BWPKSDATCGABRJ-ZDUSSCGKSA-N -1 0 334.416 3.754 20 0 EHADRM CC(C)c1nc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cn1C ZINC000567588489 1120736312 /nfs/dbraw/zinc/73/63/12/1120736312.db2.gz HHAFDOSABIFOFB-UHFFFAOYSA-N -1 0 348.255 3.651 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)F)cc1 ZINC000195440390 1120784815 /nfs/dbraw/zinc/78/48/15/1120784815.db2.gz HMOPEXQYBZQIPM-UHFFFAOYSA-N -1 0 345.392 3.811 20 0 EHADRM CC(C)OCc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000194035016 1120818273 /nfs/dbraw/zinc/81/82/73/1120818273.db2.gz KNBOADMHGRHFNG-UHFFFAOYSA-N -1 0 341.379 3.691 20 0 EHADRM CCC(CC)(OC)c1noc(-c2ccc(Br)cc2[O-])n1 ZINC000227833969 1120917936 /nfs/dbraw/zinc/91/79/36/1120917936.db2.gz BNPQMBZPJPZLMY-UHFFFAOYSA-N -1 0 341.205 3.866 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2F)cn1 ZINC000914733825 1120967272 /nfs/dbraw/zinc/96/72/72/1120967272.db2.gz UVXGGTIHJGHOAG-UHFFFAOYSA-N -1 0 336.322 3.838 20 0 EHADRM CCCCCC[C@](C)(NC(=O)c1ccnn1C1CCCC1)C(=O)[O-] ZINC000761952500 1121015209 /nfs/dbraw/zinc/01/52/09/1121015209.db2.gz VAOUCWJKHFBMMS-SFHVURJKSA-N -1 0 335.448 3.542 20 0 EHADRM O=S(=O)([N-]c1ccc(C2CC2)cc1)c1cnc(Cl)c(F)c1 ZINC000761970077 1121024637 /nfs/dbraw/zinc/02/46/37/1121024637.db2.gz OLCQIDQNQGIRQU-UHFFFAOYSA-N -1 0 326.780 3.552 20 0 EHADRM COc1cccc2cc(C(=O)Nc3ccc(/C=C\C(=O)[O-])cc3)oc21 ZINC000915150580 1121221645 /nfs/dbraw/zinc/22/16/45/1121221645.db2.gz YFQWEXCHKPDWSX-YFHOEESVSA-N -1 0 337.331 3.792 20 0 EHADRM COc1ccc(OCCCC(=O)Nc2cccc(Cl)c2[O-])cc1 ZINC000077011793 1128974867 /nfs/dbraw/zinc/97/48/67/1128974867.db2.gz PMYQUKDQDSCYSE-UHFFFAOYSA-N -1 0 335.787 3.852 20 0 EHADRM CC(C)(NC(=O)c1n[n-]c2ccccc2c1=O)c1cccc(Cl)c1 ZINC000737869340 1121419467 /nfs/dbraw/zinc/41/94/67/1121419467.db2.gz ZISLLRWCTGFXRF-UHFFFAOYSA-N -1 0 341.798 3.654 20 0 EHADRM Cc1ccccc1-c1nc(COC(=O)c2ccc([O-])c(Cl)c2)no1 ZINC000762832957 1121453655 /nfs/dbraw/zinc/45/36/55/1121453655.db2.gz XTOHPGSTTHHMGR-UHFFFAOYSA-N -1 0 344.754 3.761 20 0 EHADRM CCOc1ccc(-c2nc(CN(CC(=O)[O-])[C@H](C)CC)cs2)cc1 ZINC000236902336 1121467618 /nfs/dbraw/zinc/46/76/18/1121467618.db2.gz SLPJMRGATLVWSK-CYBMUJFWSA-N -1 0 348.468 3.894 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000237036799 1121472060 /nfs/dbraw/zinc/47/20/60/1121472060.db2.gz YIKXNRTXDMPIDI-VXGBXAGGSA-N -1 0 345.361 3.911 20 0 EHADRM Cc1oc(-c2cccs2)nc1C(=O)Nc1nnc(C2CC2)s1 ZINC000915638624 1121571054 /nfs/dbraw/zinc/57/10/54/1121571054.db2.gz MWSHJYNIRCTTBQ-UHFFFAOYSA-N -1 0 332.410 3.693 20 0 EHADRM O=C(COc1cccc(Cl)c1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000763001742 1121646793 /nfs/dbraw/zinc/64/67/93/1121646793.db2.gz RGMYSUSKBRFTMH-UHFFFAOYSA-N -1 0 334.784 3.787 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cn2)cc1 ZINC000062545601 1121708797 /nfs/dbraw/zinc/70/87/97/1121708797.db2.gz GCOMAEGBTYUQHW-UHFFFAOYSA-N -1 0 340.404 3.558 20 0 EHADRM Cc1ncccc1/C=C1\CN(C)Cc2c(C(=O)[O-])c3ccccc3nc21 ZINC000255166886 1129034381 /nfs/dbraw/zinc/03/43/81/1129034381.db2.gz SBYGXWXKJNZINU-XNTDXEJSSA-N -1 0 345.402 3.622 20 0 EHADRM Cc1cc(C(=O)[N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2C)c(C)o1 ZINC000916652352 1122240318 /nfs/dbraw/zinc/24/03/18/1122240318.db2.gz IACKBBFDARFDAG-UHFFFAOYSA-N -1 0 349.452 3.621 20 0 EHADRM Cc1cccc(C(=O)N2CCc3cc(Br)ccc32)c1O ZINC000125465394 1122317179 /nfs/dbraw/zinc/31/71/79/1122317179.db2.gz LZRZFFKKZBFXIU-UHFFFAOYSA-N -1 0 332.197 3.666 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CC[C@H](CSc2ccccc2)C1 ZINC000126997638 1122456061 /nfs/dbraw/zinc/45/60/61/1122456061.db2.gz KSCIHUGZIGSKOW-ZDUSSCGKSA-N -1 0 331.412 3.786 20 0 EHADRM Cc1cc(CC(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)[nH]n1 ZINC000127625596 1122498470 /nfs/dbraw/zinc/49/84/70/1122498470.db2.gz CTGIEHWQGVJMTD-UHFFFAOYSA-N -1 0 334.590 3.565 20 0 EHADRM Cc1ccc([C@H](C)NCc2cc(=O)oc3cc([O-])c(Cl)cc23)o1 ZINC000917181140 1122545497 /nfs/dbraw/zinc/54/54/97/1122545497.db2.gz PGGLYKUXWLIRNW-JTQLQIEISA-N -1 0 333.771 3.904 20 0 EHADRM C[C@@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1cccc(C(F)(F)F)c1 ZINC000262687316 1122715846 /nfs/dbraw/zinc/71/58/46/1122715846.db2.gz CXUNYHZQHCRCBC-IJLUTSLNSA-N -1 0 343.345 3.774 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cc(C)ccc2Cl)cc1F ZINC000498014128 1122726263 /nfs/dbraw/zinc/72/62/63/1122726263.db2.gz BIISZXSOFJXNEX-UHFFFAOYSA-N -1 0 343.807 3.987 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccn(CCC(C)C)n2)c1 ZINC000498020594 1122731298 /nfs/dbraw/zinc/73/12/98/1122731298.db2.gz OKEIARABWCHEPP-UHFFFAOYSA-N -1 0 341.864 3.692 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N(Cc2ccc(Cl)cc2)C2CC2)CC1 ZINC000262720026 1122781063 /nfs/dbraw/zinc/78/10/63/1122781063.db2.gz PDBGRHNPHZWCRJ-HDJSIYSDSA-N -1 0 335.831 3.722 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c(C)c1 ZINC000170708361 1122787881 /nfs/dbraw/zinc/78/78/81/1122787881.db2.gz SEHITZGACRPNTD-UHFFFAOYSA-N -1 0 345.342 3.823 20 0 EHADRM CCCc1nc(=NC(=O)N(C)Cc2csc3ccccc23)s[n-]1 ZINC000556094270 1122810634 /nfs/dbraw/zinc/81/06/34/1122810634.db2.gz WKLWUDITHLDVDR-UHFFFAOYSA-N -1 0 346.481 3.791 20 0 EHADRM CN(c1ccccc1)c1ccc(C(=O)Nc2ccc(F)cc2O)cn1 ZINC000556152522 1122841949 /nfs/dbraw/zinc/84/19/49/1122841949.db2.gz AOLKZBCEWICLEO-UHFFFAOYSA-N -1 0 337.354 3.947 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1n[nH]c(-c2ccco2)n1 ZINC000129834352 1122850016 /nfs/dbraw/zinc/85/00/16/1122850016.db2.gz BCVGJSIWFIEBDH-JTQLQIEISA-N -1 0 330.775 3.535 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2nc(C3CC3)c(C)o2)cc1CC ZINC000556265198 1122905416 /nfs/dbraw/zinc/90/54/16/1122905416.db2.gz WUXDOOLGTGORRF-UHFFFAOYSA-N -1 0 334.441 3.786 20 0 EHADRM Cc1oc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)nc1C1CC1 ZINC000556265295 1122906646 /nfs/dbraw/zinc/90/66/46/1122906646.db2.gz LUHOZSTTYDFGLB-UHFFFAOYSA-N -1 0 332.425 3.540 20 0 EHADRM CCCOc1cc(CNc2cc(C(=O)[O-])ccc2OC)ccc1OC ZINC000556323338 1122929535 /nfs/dbraw/zinc/92/95/35/1122929535.db2.gz DYIXKQRDQGNZBT-UHFFFAOYSA-N -1 0 345.395 3.803 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)on1 ZINC000172834355 1129091317 /nfs/dbraw/zinc/09/13/17/1129091317.db2.gz QVLKCNXBSDBEHD-UHFFFAOYSA-N -1 0 348.346 3.792 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)cc1F ZINC000071975316 1123030130 /nfs/dbraw/zinc/03/01/30/1123030130.db2.gz UAHZVXGUEQXTOH-UHFFFAOYSA-N -1 0 349.305 3.834 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)CCC3CC3)n2)cc1 ZINC000131104698 1123043701 /nfs/dbraw/zinc/04/37/01/1123043701.db2.gz QVARTPNFOMKFNV-UHFFFAOYSA-N -1 0 327.428 3.573 20 0 EHADRM CC(C)(C)c1ccc(CCNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC000262869260 1123055261 /nfs/dbraw/zinc/05/52/61/1123055261.db2.gz CQNVQACPKRJZLG-WKILWMFISA-N -1 0 331.456 3.534 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c2ccccc21 ZINC000262908369 1123079934 /nfs/dbraw/zinc/07/99/34/1123079934.db2.gz JGQTVELTKUJPEL-CKEIUWERSA-N -1 0 329.440 3.806 20 0 EHADRM CSc1cccc(F)c1CNC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000556776567 1123115828 /nfs/dbraw/zinc/11/58/28/1123115828.db2.gz QOEIBZGWFJEUGG-UHFFFAOYSA-N -1 0 339.432 3.589 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2nc3c(s2)CCCCCC3)s1 ZINC000919824138 1123164267 /nfs/dbraw/zinc/16/42/67/1123164267.db2.gz LIDSAXIZWHCQEC-UHFFFAOYSA-N -1 0 336.438 3.814 20 0 EHADRM Cc1cc(Cl)cc([N-]S(=O)(=O)c2cc3ccccc3o2)c1O ZINC000131835797 1123184331 /nfs/dbraw/zinc/18/43/31/1123184331.db2.gz BDMCZFAEERWNAX-UHFFFAOYSA-N -1 0 337.784 3.901 20 0 EHADRM CCCCCC[C@@H](C)OC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000920125075 1123300517 /nfs/dbraw/zinc/30/05/17/1123300517.db2.gz VHOOHYXMXDRWQL-GFCCVEGCSA-N -1 0 348.468 3.738 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc3n[nH]cc3c(C)c2)c1 ZINC000499289089 1123333655 /nfs/dbraw/zinc/33/36/55/1123333655.db2.gz YDQQOMYADVECPJ-UHFFFAOYSA-N -1 0 335.816 3.634 20 0 EHADRM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000074928088 1123347449 /nfs/dbraw/zinc/34/74/49/1123347449.db2.gz KOYCAFMAJRVEBP-UHFFFAOYSA-N -1 0 335.425 3.673 20 0 EHADRM COc1cc(CNC(=O)c2ccc([O-])c(Cl)c2)c2ccccc2n1 ZINC000075158925 1123374738 /nfs/dbraw/zinc/37/47/38/1123374738.db2.gz SJCJZXGLHXZLHM-UHFFFAOYSA-N -1 0 342.782 3.532 20 0 EHADRM Cc1nc(-c2ccccc2)c(C(=O)NCCCCCCC(=O)[O-])s1 ZINC000263080408 1123399382 /nfs/dbraw/zinc/39/93/82/1123399382.db2.gz LCGFCAJFLKHKAH-UHFFFAOYSA-N -1 0 346.452 3.883 20 0 EHADRM CC(C)(NC(=O)c1ccc(C(=O)[O-])o1)c1ccc(Cl)c(Cl)c1 ZINC000236679795 1123449987 /nfs/dbraw/zinc/44/99/87/1123449987.db2.gz DTXFBGFVFJSGTM-UHFFFAOYSA-N -1 0 342.178 3.950 20 0 EHADRM CN(c1ccccc1)c1ccccc1C(=O)NCCCCCC(=O)[O-] ZINC000237065090 1123491805 /nfs/dbraw/zinc/49/18/05/1123491805.db2.gz BZRTVDDGWTYIBH-UHFFFAOYSA-N -1 0 340.423 3.829 20 0 EHADRM O=C(Nc1cccc(OCC(F)(F)F)c1)c1c([O-])cc(F)cc1F ZINC000066045274 1129125690 /nfs/dbraw/zinc/12/56/90/1129125690.db2.gz FIEMEGLWCDPNRW-UHFFFAOYSA-N -1 0 347.239 3.864 20 0 EHADRM CN(CCc1cccc2ccccc21)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000237217458 1123500784 /nfs/dbraw/zinc/50/07/84/1123500784.db2.gz QTOOOOGKVMXJRT-UHFFFAOYSA-N -1 0 333.387 3.853 20 0 EHADRM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1ccc(C(=O)[O-])s1 ZINC000237566335 1123525233 /nfs/dbraw/zinc/52/52/33/1123525233.db2.gz ZVVBTWKSQCALOE-BJOHPYRUSA-N -1 0 333.384 3.639 20 0 EHADRM CCCC[C@H]1CCC[C@H]1NC(=O)CSc1n[n-]c(=S)s1 ZINC000175116188 1123597848 /nfs/dbraw/zinc/59/78/48/1123597848.db2.gz XKGCXZQRFKADIX-VHSXEESVSA-N -1 0 331.532 3.768 20 0 EHADRM COc1cccc(C(=O)Nc2ccc(-c3nccs3)cc2)c1O ZINC000078538074 1123636545 /nfs/dbraw/zinc/63/65/45/1123636545.db2.gz PUJOCQMYDLGBCJ-UHFFFAOYSA-N -1 0 326.377 3.777 20 0 EHADRM CC(C)[C@H](C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1ccccc1 ZINC000079899829 1123730006 /nfs/dbraw/zinc/73/00/06/1123730006.db2.gz CBKCROIPJKWQLB-INIZCTEOSA-N -1 0 337.379 3.821 20 0 EHADRM Cc1ncc(CN(C)C(=O)c2c([O-])cc(Cl)cc2Cl)s1 ZINC000080003480 1123733320 /nfs/dbraw/zinc/73/33/20/1123733320.db2.gz LRQQTSIBGRYCJB-UHFFFAOYSA-N -1 0 331.224 3.736 20 0 EHADRM Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)CCCCC(=O)[O-] ZINC000263294686 1123747250 /nfs/dbraw/zinc/74/72/50/1123747250.db2.gz MCLFENKULRQYHV-LBPRGKRZSA-N -1 0 346.452 3.941 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N(C)[C@@H](C)c2ccccc2C)s1 ZINC000615470673 1123809953 /nfs/dbraw/zinc/80/99/53/1123809953.db2.gz XHXCNRCZTCYBRJ-NSHDSACASA-N -1 0 336.486 3.605 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)NCc2csc3ccccc23)s1 ZINC000615567135 1123826659 /nfs/dbraw/zinc/82/66/59/1123826659.db2.gz CGKUVEIYCHOJOU-UHFFFAOYSA-N -1 0 346.481 3.794 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1C(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000238038730 1123955947 /nfs/dbraw/zinc/95/59/47/1123955947.db2.gz GPFQJPLLEOUKPU-NSHDSACASA-N -1 0 341.194 3.554 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)CCCc2ccc(Cl)cc2)cc1 ZINC000238076763 1123969603 /nfs/dbraw/zinc/96/96/03/1123969603.db2.gz NJGKPLOPRLWANZ-UHFFFAOYSA-N -1 0 345.826 3.720 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccnc(Cl)c2)c(Cl)cc1F ZINC000180251417 1123970666 /nfs/dbraw/zinc/97/06/66/1123970666.db2.gz NSJQMFAQVYNRGP-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM O=C(c1nn(-c2cccc(Cl)c2)cc1[O-])N1CC[C@@H]2CCCC[C@@H]21 ZINC000616452674 1123998681 /nfs/dbraw/zinc/99/86/81/1123998681.db2.gz DRONXQQJFKOWCC-WFASDCNBSA-N -1 0 345.830 3.636 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)CC[C@H]3CCCCO3)ccc2s1 ZINC000238207377 1124010265 /nfs/dbraw/zinc/01/02/65/1124010265.db2.gz ILICTCOAOLJABW-CYBMUJFWSA-N -1 0 333.409 3.887 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)C2(Cc3ccccc3Cl)CC2)C1 ZINC000263544352 1124059123 /nfs/dbraw/zinc/05/91/23/1124059123.db2.gz SLALNWMBXSQRFY-IBGZPJMESA-N -1 0 349.858 3.622 20 0 EHADRM CCN(CC1CC1)C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000084390878 1124575747 /nfs/dbraw/zinc/57/57/47/1124575747.db2.gz VIASGFJPBIEABC-UHFFFAOYSA-N -1 0 327.428 3.573 20 0 EHADRM CC(C)Oc1ccc(F)c([N-]c2nnc(Br)s2)c1 ZINC001212306224 1124585580 /nfs/dbraw/zinc/58/55/80/1124585580.db2.gz WXPPCDVQMFUUQK-UHFFFAOYSA-N -1 0 332.198 3.971 20 0 EHADRM O=C([O-])c1coc(C(=O)N2CCCC[C@H]2c2cccc(Cl)c2)c1 ZINC000263583013 1124734685 /nfs/dbraw/zinc/73/46/85/1124734685.db2.gz ZIZGFAMDQWNQNP-AWEZNQCLSA-N -1 0 333.771 3.999 20 0 EHADRM CCCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccccc1C ZINC000735202971 1131316567 /nfs/dbraw/zinc/31/65/67/1131316567.db2.gz KTMZWVLNWADNNF-OAHLLOKOSA-N -1 0 325.474 3.797 20 0 EHADRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cnn(CC(C)C)c1 ZINC000181494616 1124887663 /nfs/dbraw/zinc/88/76/63/1124887663.db2.gz OSWGPKCSWLANDY-MRXNPFEDSA-N -1 0 348.406 3.534 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCC[C@](O)(C2CC2)C1 ZINC000618293834 1125039651 /nfs/dbraw/zinc/03/96/51/1125039651.db2.gz AHKGFSLUJMXGDE-LJQANCHMSA-N -1 0 345.826 3.576 20 0 EHADRM CC(C)Cc1nc(=NC(=O)c2c(Cl)oc3ccccc32)s[n-]1 ZINC000618349715 1125058054 /nfs/dbraw/zinc/05/80/54/1125058054.db2.gz BCOHOONNAFHPQC-UHFFFAOYSA-N -1 0 335.816 3.810 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC000450533066 1125144751 /nfs/dbraw/zinc/14/47/51/1125144751.db2.gz SPGABEZKSZXTRB-ZFWWWQNUSA-N -1 0 341.382 3.932 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cccc(Cl)c2Br)CCC1 ZINC000382517699 1125161123 /nfs/dbraw/zinc/16/11/23/1125161123.db2.gz VBDYTLCHKLGAMT-UHFFFAOYSA-N -1 0 346.608 3.686 20 0 EHADRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)C[C@@H](C)CC(C)C ZINC000070034315 1125164110 /nfs/dbraw/zinc/16/41/10/1125164110.db2.gz CRIANKFYALDEKA-NSHDSACASA-N -1 0 342.417 3.621 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c1 ZINC000182491357 1125318552 /nfs/dbraw/zinc/31/85/52/1125318552.db2.gz SHNKWVZJSGQIKG-UHFFFAOYSA-N -1 0 348.207 3.508 20 0 EHADRM Cn1cc2c(n1)ncnc2Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000163100123 1125354357 /nfs/dbraw/zinc/35/43/57/1125354357.db2.gz ANOFRQRZHWIUPX-UHFFFAOYSA-N -1 0 344.350 3.509 20 0 EHADRM Cc1ccc(Oc2ccccc2NC(=O)[C@H]2CC[C@H]2C(=O)[O-])cc1 ZINC000262078053 1125403521 /nfs/dbraw/zinc/40/35/21/1125403521.db2.gz KLRJHGNKTFDONN-LSDHHAIUSA-N -1 0 325.364 3.837 20 0 EHADRM O=C(N[C@@H](c1ccccc1)C1CCC1)c1n[n-]c2ccccc2c1=O ZINC000735522458 1131354132 /nfs/dbraw/zinc/35/41/32/1131354132.db2.gz IMMXLUVMKCOKES-KRWDZBQOSA-N -1 0 333.391 3.607 20 0 EHADRM O=C([O-])c1cnc(C=Cc2ccc(-c3ccccc3F)s2)[nH]c1=O ZINC000670369891 1129210306 /nfs/dbraw/zinc/21/03/06/1129210306.db2.gz ICWILZYHGCSNLE-SOFGYWHQSA-N -1 0 342.351 3.918 20 0 EHADRM C[C@@H]1CN(Cc2ccc(Br)cc2Cl)CC[C@H]1C(=O)[O-] ZINC000311577525 1129228155 /nfs/dbraw/zinc/22/81/55/1129228155.db2.gz SODWUWBSNUAJKC-BXKDBHETSA-N -1 0 346.652 3.645 20 0 EHADRM Cc1cccc(C2(NC(=O)c3n[n-]c4ccccc4c3=O)CCCC2)c1 ZINC000735655394 1131370359 /nfs/dbraw/zinc/37/03/59/1131370359.db2.gz GAPBKQHEAYEZJX-UHFFFAOYSA-N -1 0 347.418 3.843 20 0 EHADRM CCN(CCC1CC1)C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000499769349 1129472609 /nfs/dbraw/zinc/47/26/09/1129472609.db2.gz YRAKZKWKIDZRRS-UHFFFAOYSA-N -1 0 341.455 3.964 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)c(C)n1C(C)C ZINC000069896724 1129488375 /nfs/dbraw/zinc/48/83/75/1129488375.db2.gz ARSGUDYWWHETRC-UHFFFAOYSA-N -1 0 340.383 3.694 20 0 EHADRM O=S(=O)([N-]C1(C(F)F)CCCC1)c1cc(Cl)ccc1Cl ZINC000673586459 1129588666 /nfs/dbraw/zinc/58/86/66/1129588666.db2.gz FADFPCXHAWYDPD-UHFFFAOYSA-N -1 0 344.210 3.850 20 0 EHADRM Cc1cc(C)cc(OCCNC(=O)c2ccc3[n-]c(=S)oc3c2)c1 ZINC000735851600 1131385376 /nfs/dbraw/zinc/38/53/76/1131385376.db2.gz AWGFMYRZSHEMDH-UHFFFAOYSA-N -1 0 342.420 3.542 20 0 EHADRM O=C(NCC1(c2ccc(F)cc2)CC1)c1ccc2[n-]c(=S)oc2c1 ZINC000735850701 1131385486 /nfs/dbraw/zinc/38/54/86/1131385486.db2.gz ZXRFKLKWLRHKMU-UHFFFAOYSA-N -1 0 342.395 3.717 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000282383672 1129678255 /nfs/dbraw/zinc/67/82/55/1129678255.db2.gz CZJIADIEOLHQHD-LBPRGKRZSA-N -1 0 349.299 3.865 20 0 EHADRM Cc1cccc(CSCC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000392011902 1129696709 /nfs/dbraw/zinc/69/67/09/1129696709.db2.gz TYFUNECUWKHDEO-INIZCTEOSA-N -1 0 349.496 3.578 20 0 EHADRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cccc([C@H](C)OC)c1 ZINC000509064211 1129712648 /nfs/dbraw/zinc/71/26/48/1129712648.db2.gz IGAGVKORJFMKFY-AWEZNQCLSA-N -1 0 349.452 3.820 20 0 EHADRM CCC(F)(F)C(C)(C)CS(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F ZINC000625146532 1129742152 /nfs/dbraw/zinc/74/21/52/1129742152.db2.gz HETIOXBQXJDRRA-VIFPVBQESA-N -1 0 339.370 3.564 20 0 EHADRM O=S(=O)([N-]c1cc(-c2cccs2)[nH]n1)c1ccc(Cl)s1 ZINC000132261021 1129887331 /nfs/dbraw/zinc/88/73/31/1129887331.db2.gz QASJSVOEUQLMJZ-UHFFFAOYSA-N -1 0 345.858 3.654 20 0 EHADRM CCOC(=O)CCc1cccc(Nc2ccc(C(=O)[O-])c(F)c2F)c1 ZINC001212515601 1129929277 /nfs/dbraw/zinc/92/92/77/1129929277.db2.gz FUXDTRPOPNGFNF-UHFFFAOYSA-N -1 0 349.333 3.902 20 0 EHADRM CCCCc1n[n-]c(=NCc2cn(-c3ccc(Cl)cc3)nc2C)o1 ZINC000347890626 1129988923 /nfs/dbraw/zinc/98/89/23/1129988923.db2.gz KJMGEQRYOAPQMC-UHFFFAOYSA-N -1 0 345.834 3.594 20 0 EHADRM O=C(NCc1c(F)c(F)cc(F)c1F)c1ccc([O-])c(Cl)c1 ZINC000674605975 1130144343 /nfs/dbraw/zinc/14/43/43/1130144343.db2.gz LVWCMMDLWPVSPQ-UHFFFAOYSA-N -1 0 333.668 3.532 20 0 EHADRM Cc1cccc(Oc2ccc(NC(=O)CC(C)(C)C(=O)[O-])cn2)c1C ZINC000675000892 1130237922 /nfs/dbraw/zinc/23/79/22/1130237922.db2.gz DSFKXPVXGIMLQW-UHFFFAOYSA-N -1 0 342.395 3.930 20 0 EHADRM O=C(c1c([O-])cc(F)cc1F)N1CC(c2nc3ccccc3s2)C1 ZINC000675708248 1130455341 /nfs/dbraw/zinc/45/53/41/1130455341.db2.gz LPYIBITVCXLWLE-UHFFFAOYSA-N -1 0 346.358 3.520 20 0 EHADRM CC(/C=C/c1nc2ccccc2c(=O)n1CC(=O)[O-])=C\c1ccccc1 ZINC000675724806 1130463395 /nfs/dbraw/zinc/46/33/95/1130463395.db2.gz NAGRUDSQKOHVNP-NOVYJZLUSA-N -1 0 346.386 3.598 20 0 EHADRM Cc1c(NC(=O)Cn2ccc3ccc(Cl)cc32)cccc1C(=O)[O-] ZINC000675967374 1130511625 /nfs/dbraw/zinc/51/16/25/1130511625.db2.gz ZXIYYXQMOBTKDH-UHFFFAOYSA-N -1 0 342.782 3.940 20 0 EHADRM O=C([O-])CN(C(=O)Cc1cccc2ccccc21)C1CCCCC1 ZINC000675993010 1130513545 /nfs/dbraw/zinc/51/35/45/1130513545.db2.gz CPMSBVQZTULPSO-UHFFFAOYSA-N -1 0 325.408 3.628 20 0 EHADRM CC(C)[C@@H](C(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1cccc(Cl)c1 ZINC000676217945 1130547070 /nfs/dbraw/zinc/54/70/70/1130547070.db2.gz FOHKEIKYARJTLE-SUMWQHHRSA-N -1 0 337.847 3.793 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2F)ccc1N(C)C ZINC000731782839 1130846700 /nfs/dbraw/zinc/84/67/00/1130846700.db2.gz NPSMUHVEXOWMPS-UHFFFAOYSA-N -1 0 342.823 3.654 20 0 EHADRM CCC(CC)CS(=O)(=O)[N-]C(=O)CCCCc1ccc(C)cc1 ZINC000733059722 1130989872 /nfs/dbraw/zinc/98/98/72/1130989872.db2.gz AGSJDVVFZBMPAZ-UHFFFAOYSA-N -1 0 339.501 3.590 20 0 EHADRM CCCS(=O)(=O)[N-]C(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000739192915 1131493060 /nfs/dbraw/zinc/49/30/60/1131493060.db2.gz PGPDZTLWLATDNY-UHFFFAOYSA-N -1 0 343.857 3.538 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)c2cccc(C)c2)cc1 ZINC000740528206 1131534806 /nfs/dbraw/zinc/53/48/06/1131534806.db2.gz CTJOWIJIRYCQGT-OAHLLOKOSA-N -1 0 345.464 3.556 20 0 EHADRM C[C@@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1ccccc1C(F)(F)F ZINC000743246216 1131883509 /nfs/dbraw/zinc/88/35/09/1131883509.db2.gz AYCKGCDHRAVZRT-RTXFEEFZSA-N -1 0 341.329 3.550 20 0 EHADRM CCCCCC[C@H](C)C(=O)Nc1cc(S(=O)(=O)CC)ccc1[O-] ZINC000743288114 1131891815 /nfs/dbraw/zinc/89/18/15/1131891815.db2.gz VATUYYGDBIGZFP-ZDUSSCGKSA-N -1 0 341.473 3.731 20 0 EHADRM CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000744002245 1132002773 /nfs/dbraw/zinc/00/27/73/1132002773.db2.gz JGGJYXUJVSZQHE-SNVBAGLBSA-N -1 0 337.894 3.813 20 0 EHADRM CCCCCC[C@@](C)(CC)C(=O)[N-]S(=O)(=O)c1cc(C)ccn1 ZINC000744138518 1132028433 /nfs/dbraw/zinc/02/84/33/1132028433.db2.gz ITDHMXVQOQZSHZ-QGZVFWFLSA-N -1 0 340.489 3.582 20 0 EHADRM S=c1[n-]c2ccc(-c3noc(-c4ccc(Cl)nn4)n3)cc2s1 ZINC001212731097 1132080673 /nfs/dbraw/zinc/08/06/73/1132080673.db2.gz OVOAZWJBGAHVDM-UHFFFAOYSA-N -1 0 347.812 3.745 20 0 EHADRM Cc1cc(S(=O)(=O)[O-])c(Nc2cccnc2C2CC2)cc1Cl ZINC001212739842 1132090989 /nfs/dbraw/zinc/09/09/89/1132090989.db2.gz SECHFBVVXOYQQD-UHFFFAOYSA-N -1 0 338.816 3.911 20 0 EHADRM COc1ccc(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)cc1 ZINC001173806000 1132152553 /nfs/dbraw/zinc/15/25/53/1132152553.db2.gz XBXKYBKDWWXBLI-UHFFFAOYSA-N -1 0 329.377 3.839 20 0 EHADRM COc1cccc(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)c1 ZINC001173829078 1132161456 /nfs/dbraw/zinc/16/14/56/1132161456.db2.gz QZKZSBRPSGBCNI-UHFFFAOYSA-N -1 0 329.377 3.839 20 0 EHADRM Cc1cc(S(=O)(=O)[O-])c(Nc2cc(F)cc(F)c2)cc1Cl ZINC001173914731 1132173006 /nfs/dbraw/zinc/17/30/06/1132173006.db2.gz WMBSLOAGSICQHW-UHFFFAOYSA-N -1 0 333.743 3.917 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2O)c2ccccc12 ZINC000182470826 1132246712 /nfs/dbraw/zinc/24/67/12/1132246712.db2.gz HZWLMTOLFOZQQL-UHFFFAOYSA-N -1 0 343.404 3.663 20 0 EHADRM Cc1cc(Nc2cccc(/C=C/C(=O)[O-])c2)cnc1Br ZINC001174495397 1132371025 /nfs/dbraw/zinc/37/10/25/1132371025.db2.gz PZKVIXQVFRZSLY-AATRIKPKSA-N -1 0 333.185 3.994 20 0 EHADRM COc1ccc2c(c1)CCCN2C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000746110365 1132376016 /nfs/dbraw/zinc/37/60/16/1132376016.db2.gz IHWWCMMBVXLADH-UHFFFAOYSA-N -1 0 340.404 3.718 20 0 EHADRM CC(C)Oc1cccc(CNC(=O)c2ccc3[n-]c(=S)oc3c2)c1 ZINC000746132387 1132380323 /nfs/dbraw/zinc/38/03/23/1132380323.db2.gz ZBRSSVAQPDFXMS-UHFFFAOYSA-N -1 0 342.420 3.834 20 0 EHADRM Cc1ccccc1C[C@@H](C)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000746132841 1132380719 /nfs/dbraw/zinc/38/07/19/1132380719.db2.gz AKDVUJCXQVGBMU-GFCCVEGCSA-N -1 0 326.421 3.786 20 0 EHADRM CNC(=O)c1ccc(Nc2cccc(/C=C/C(=O)[O-])c2)cc1Cl ZINC001174500004 1132381386 /nfs/dbraw/zinc/38/13/86/1132381386.db2.gz NJDUFELMZFIASN-VMPITWQZSA-N -1 0 330.771 3.541 20 0 EHADRM Cc1cc(C)c(Nc2cccc(-c3cc[nH]n3)c2)c(S(=O)(=O)[O-])c1 ZINC001174509149 1132393172 /nfs/dbraw/zinc/39/31/72/1132393172.db2.gz GJKFATCUYPPHIL-UHFFFAOYSA-N -1 0 343.408 3.684 20 0 EHADRM Cc1cc(C)cc(CCNC(=O)c2ccc3[n-]c(=S)oc3c2)c1 ZINC000746292124 1132398954 /nfs/dbraw/zinc/39/89/54/1132398954.db2.gz LKKRERBXBNGXDF-UHFFFAOYSA-N -1 0 326.421 3.706 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2cc(F)ccc2O)c2ccccc21 ZINC001174629195 1132419764 /nfs/dbraw/zinc/41/97/64/1132419764.db2.gz YQWLBMQZSGOPEH-UHFFFAOYSA-N -1 0 333.340 3.675 20 0 EHADRM O=S(=O)([O-])c1ccc2c(cccc2Nc2cc(F)ccc2O)c1 ZINC001174627743 1132419783 /nfs/dbraw/zinc/41/97/83/1132419783.db2.gz DUBZACNYLWDZHE-UHFFFAOYSA-N -1 0 333.340 3.675 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cc(C)nn1-c1ccc(F)cc1 ZINC001174669865 1132431821 /nfs/dbraw/zinc/43/18/21/1132431821.db2.gz COPQEIQHAAWTHG-UHFFFAOYSA-N -1 0 341.342 3.770 20 0 EHADRM CCOC(=O)Nc1ccc(Nc2ccc(C(=O)[O-])cc2OC)cc1 ZINC001174676099 1132433161 /nfs/dbraw/zinc/43/31/61/1132433161.db2.gz FLIGNBJDVSGVMF-UHFFFAOYSA-N -1 0 330.340 3.705 20 0 EHADRM COc1cc(Nc2ccc(Br)nc2C)ccc1C(=O)[O-] ZINC001174681399 1132434854 /nfs/dbraw/zinc/43/48/54/1132434854.db2.gz RLVGZUAYXRKHBX-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM COc1cc(Nc2ccc(C3=NC(C)(C)CO3)cc2)ccc1C(=O)[O-] ZINC001174688091 1132436403 /nfs/dbraw/zinc/43/64/03/1132436403.db2.gz ONEKFJDPWJNTFO-UHFFFAOYSA-N -1 0 340.379 3.692 20 0 EHADRM COC(=O)c1cc(C)c(C)cc1Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001174686194 1132436932 /nfs/dbraw/zinc/43/69/32/1132436932.db2.gz LFXZUEKKJMURJA-UHFFFAOYSA-N -1 0 329.352 3.540 20 0 EHADRM O=S(=O)([O-])c1cccc2cc(Nc3ccc(O)c(F)c3)ccc21 ZINC001174737327 1132454851 /nfs/dbraw/zinc/45/48/51/1132454851.db2.gz AWNFPDCMTOJEEH-UHFFFAOYSA-N -1 0 333.340 3.675 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc3ncc(Br)n3c2)s1 ZINC001174805636 1132478411 /nfs/dbraw/zinc/47/84/11/1132478411.db2.gz VRSOHKPSRVQRQZ-UHFFFAOYSA-N -1 0 338.186 3.600 20 0 EHADRM Nc1cccn1-c1ccc(-c2cc(C(=O)[O-])c3ccccc3n2)cc1 ZINC001174855618 1132488858 /nfs/dbraw/zinc/48/88/58/1132488858.db2.gz KXBZOEOGYSTARC-UHFFFAOYSA-N -1 0 329.359 3.973 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000746386744 1132506365 /nfs/dbraw/zinc/50/63/65/1132506365.db2.gz OXXSGRIUUKUYRD-UHFFFAOYSA-N -1 0 347.436 3.623 20 0 EHADRM Nc1cc(Br)cc2c1ccn2-c1ccc(CC(=O)[O-])cc1 ZINC001174951937 1132516419 /nfs/dbraw/zinc/51/64/19/1132516419.db2.gz FYCOMWQYQXWGHZ-UHFFFAOYSA-N -1 0 345.196 3.602 20 0 EHADRM CCOC(=O)c1cc2cc(Nc3ccc(CC(=O)[O-])cc3)ccc2o1 ZINC001174953376 1132516624 /nfs/dbraw/zinc/51/66/24/1132516624.db2.gz BFUVRVMMFDWOMS-UHFFFAOYSA-N -1 0 339.347 3.980 20 0 EHADRM COC(=O)c1cc(Nc2ccc(CC(=O)[O-])cc2)c(OC)cc1Cl ZINC001174953348 1132516631 /nfs/dbraw/zinc/51/66/31/1132516631.db2.gz RJCLHWXWKNYTAM-UHFFFAOYSA-N -1 0 349.770 3.506 20 0 EHADRM CCOC(=O)c1c(Cl)cccc1Nc1ccc(CC(=O)[O-])cc1 ZINC001174953274 1132516834 /nfs/dbraw/zinc/51/68/34/1132516834.db2.gz NKVIZEARXYXUGH-UHFFFAOYSA-N -1 0 333.771 3.887 20 0 EHADRM O=C([O-])Cc1ccc(Nc2c(F)cccc2C(=O)C(F)(F)F)cc1 ZINC001174954570 1132517186 /nfs/dbraw/zinc/51/71/86/1132517186.db2.gz IADIEGLPRKYBHU-UHFFFAOYSA-N -1 0 341.260 3.941 20 0 EHADRM CCOC(=O)c1ccc(OCC)cc1Nc1ccc(CC(=O)[O-])cc1 ZINC001174954116 1132517355 /nfs/dbraw/zinc/51/73/55/1132517355.db2.gz DCIRKINDOJFSMO-UHFFFAOYSA-N -1 0 343.379 3.633 20 0 EHADRM CCOC(=O)c1ccc(Nc2ccc(CC(=O)[O-])cc2)cc1Cl ZINC001174953752 1132517581 /nfs/dbraw/zinc/51/75/81/1132517581.db2.gz MWGUCIROSGFCRH-UHFFFAOYSA-N -1 0 333.771 3.887 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000391350044 1132518626 /nfs/dbraw/zinc/51/86/26/1132518626.db2.gz KYLGIJSPRWYUHU-VXGBXAGGSA-N -1 0 347.720 3.964 20 0 EHADRM C[C@@H](CC(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1)CC(C)(C)C ZINC000746428752 1132525944 /nfs/dbraw/zinc/52/59/44/1132525944.db2.gz VHIZQCYVKYXFEF-AWEZNQCLSA-N -1 0 349.496 3.882 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1ncc(Cl)nc1Br ZINC001174981563 1132534476 /nfs/dbraw/zinc/53/44/76/1132534476.db2.gz NKENHZYAMWMALR-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM CCOC(=O)c1nc(C)oc1[N-]c1c(F)ccc(OCC)c1F ZINC001175038665 1132546054 /nfs/dbraw/zinc/54/60/54/1132546054.db2.gz KGOYVMLKPQNEBL-UHFFFAOYSA-N -1 0 326.299 3.580 20 0 EHADRM COc1cc(C)c(Nc2ccc(Cl)cc2S(=O)(=O)[O-])cc1C ZINC001175115232 1132558307 /nfs/dbraw/zinc/55/83/07/1132558307.db2.gz UUMZPGYAKTWQGC-UHFFFAOYSA-N -1 0 341.816 3.956 20 0 EHADRM Cc1cc(Nc2ccc(C(=O)[O-])c(F)c2)cnc1Br ZINC001175154267 1132568900 /nfs/dbraw/zinc/56/89/00/1132568900.db2.gz HIBUJWRSSQACOI-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(C(=O)N3CCCCC3)cc2)cc1F ZINC001175157542 1132569451 /nfs/dbraw/zinc/56/94/51/1132569451.db2.gz HCBVXFSYODEJFJ-UHFFFAOYSA-N -1 0 342.370 3.894 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(Oc3ncccn3)cc2)cc1F ZINC001175158552 1132570797 /nfs/dbraw/zinc/57/07/97/1132570797.db2.gz TVXDOMCQZZZNQP-UHFFFAOYSA-N -1 0 325.299 3.850 20 0 EHADRM CC(=O)N1CC2(CC2)c2ccc(Nc3ccc(C(=O)[O-])c(F)c3)cc21 ZINC001175158869 1132570930 /nfs/dbraw/zinc/57/09/30/1132570930.db2.gz ZLNNKLNLKTXSQU-UHFFFAOYSA-N -1 0 340.354 3.666 20 0 EHADRM O=C([O-])c1cc(Nc2ccc(O)c(Br)c2)ccc1F ZINC001175219194 1132597927 /nfs/dbraw/zinc/59/79/27/1132597927.db2.gz YLRPFMYAJKRJRE-UHFFFAOYSA-N -1 0 326.121 3.736 20 0 EHADRM Cc1cnc(Br)c(Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC001175215504 1132597978 /nfs/dbraw/zinc/59/79/78/1132597978.db2.gz IQLVAEQSBJRNMX-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM CCOc1ccc(F)c(F)c1[N-]c1nnc(Br)s1 ZINC001175279624 1132611230 /nfs/dbraw/zinc/61/12/30/1132611230.db2.gz BBJWMEGIOSTPEW-UHFFFAOYSA-N -1 0 336.161 3.721 20 0 EHADRM Nc1cc(Br)ncc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175316060 1132636210 /nfs/dbraw/zinc/63/62/10/1132636210.db2.gz IFPXSXKYBVNURB-UHFFFAOYSA-N -1 0 342.580 3.522 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(-n3ccccc3=O)cc2)cc1Cl ZINC001175319842 1132638031 /nfs/dbraw/zinc/63/80/31/1132638031.db2.gz CHSWBCFXSMNXRC-UHFFFAOYSA-N -1 0 340.766 3.933 20 0 EHADRM COC(=O)c1cc(F)c(Nc2ccc(C(=O)[O-])c(Cl)c2)cc1F ZINC001175321066 1132638227 /nfs/dbraw/zinc/63/82/27/1132638227.db2.gz OSWOFDQKBRPNLY-UHFFFAOYSA-N -1 0 341.697 3.847 20 0 EHADRM CCOC(=O)Cc1ccccc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175321772 1132639120 /nfs/dbraw/zinc/63/91/20/1132639120.db2.gz YUPUUSKGFQQHLZ-UHFFFAOYSA-N -1 0 333.771 3.887 20 0 EHADRM CCNc1ccc(C(=O)OCC)cc1Nc1cccc(C(=O)[O-])c1 ZINC001175329546 1132640470 /nfs/dbraw/zinc/64/04/70/1132640470.db2.gz NXYFOKPMEYYTPF-UHFFFAOYSA-N -1 0 328.368 3.737 20 0 EHADRM Cc1nc2ccc(Br)cn2c1Nc1cccc(C(=O)[O-])c1 ZINC001175330673 1132641138 /nfs/dbraw/zinc/64/11/38/1132641138.db2.gz ORVSGHPAMNYHGI-UHFFFAOYSA-N -1 0 346.184 3.847 20 0 EHADRM Cc1ccc(CCCNc2cc(Br)cc(C(=O)[O-])c2)cn1 ZINC001169256693 1132710751 /nfs/dbraw/zinc/71/07/51/1132710751.db2.gz BZQGMCIBUKXHPX-UHFFFAOYSA-N -1 0 349.228 3.895 20 0 EHADRM CSc1ccc(Nc2ccc3ccccc3c2S(=O)(=O)[O-])cn1 ZINC001175658589 1132733160 /nfs/dbraw/zinc/73/31/60/1132733160.db2.gz VZHCICKJJMANFX-UHFFFAOYSA-N -1 0 346.433 3.947 20 0 EHADRM Cc1[nH]c(=O)c(CNc2ccccc2C=CC(=O)[O-])c2c1CCCC2 ZINC001169402638 1132740892 /nfs/dbraw/zinc/74/08/92/1132740892.db2.gz FCULSEFJRLXJDT-ZHACJKMWSA-N -1 0 338.407 3.684 20 0 EHADRM Cc1ccc(-c2noc(-c3c(CO)cnc(C)c3[O-])n2)c2ccccc12 ZINC001212590000 1132762787 /nfs/dbraw/zinc/76/27/87/1132762787.db2.gz OVNVYSQJHWTRKR-UHFFFAOYSA-N -1 0 347.374 3.767 20 0 EHADRM COc1cc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)ccc1Cl ZINC001175775767 1132763423 /nfs/dbraw/zinc/76/34/23/1132763423.db2.gz CXEQAWHVXWYQPQ-UHFFFAOYSA-N -1 0 348.207 3.992 20 0 EHADRM Cc1ccc2sc(CNC(=O)c3cc(F)cc(F)c3[O-])nc2c1 ZINC001169478415 1132764623 /nfs/dbraw/zinc/76/46/23/1132764623.db2.gz GASGLHXGZPMLEU-UHFFFAOYSA-N -1 0 334.347 3.519 20 0 EHADRM O=C([O-])c1cncc(Nc2cc(Br)cc3ncccc32)c1 ZINC001175842935 1132773340 /nfs/dbraw/zinc/77/33/40/1132773340.db2.gz VRIDJIZSJLJHMF-UHFFFAOYSA-N -1 0 344.168 3.834 20 0 EHADRM Cc1c(Br)cc(F)cc1Nc1cncc(C(=O)[O-])c1 ZINC001175842728 1132773469 /nfs/dbraw/zinc/77/34/69/1132773469.db2.gz FSTMOQLYGAMSKD-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM O=C([O-])c1cncc(Nc2ccc(N3CCC(F)(F)CC3)cc2)c1 ZINC001175842875 1132773544 /nfs/dbraw/zinc/77/35/44/1132773544.db2.gz RXASMFMQBBTANG-UHFFFAOYSA-N -1 0 333.338 3.759 20 0 EHADRM CCCn1nc(C)cc1Nc1ccc(S(=O)(=O)[O-])c2ccccc12 ZINC001175805004 1132775017 /nfs/dbraw/zinc/77/50/17/1132775017.db2.gz PNUHYYZZRQFWIC-UHFFFAOYSA-N -1 0 345.424 3.745 20 0 EHADRM Cc1cc(C)c(Nc2cccc3c2ccn3C)c(S(=O)(=O)[O-])c1 ZINC001175867564 1132787899 /nfs/dbraw/zinc/78/78/99/1132787899.db2.gz SJGDDCKRUDJQOT-UHFFFAOYSA-N -1 0 330.409 3.785 20 0 EHADRM O=C([N-]OCC(F)(F)F)C1(c2c(Cl)cccc2Cl)CC1 ZINC000766770054 1132805113 /nfs/dbraw/zinc/80/51/13/1132805113.db2.gz SDVCDDODVWENHC-UHFFFAOYSA-N -1 0 328.117 3.635 20 0 EHADRM CCSc1ccc(CNC(=O)c2cc(F)c(F)c([O-])c2F)cc1 ZINC001176020795 1132821880 /nfs/dbraw/zinc/82/18/80/1132821880.db2.gz MWUWLQVANDMLMD-UHFFFAOYSA-N -1 0 341.354 3.852 20 0 EHADRM Cc1cc(C)c(Nc2ccc(C)c(F)c2F)c(S(=O)(=O)[O-])c1 ZINC001176093860 1132833671 /nfs/dbraw/zinc/83/36/71/1132833671.db2.gz WPILNDWSVLRFMT-UHFFFAOYSA-N -1 0 327.352 3.880 20 0 EHADRM O=C([O-])Cn1cc(Nc2cc(Cl)c(F)c(C(F)(F)F)c2)cn1 ZINC001176271732 1132898926 /nfs/dbraw/zinc/89/89/26/1132898926.db2.gz WEZZIRATOAXWLY-UHFFFAOYSA-N -1 0 337.660 3.523 20 0 EHADRM O=C([O-])Cn1cc(Nc2ccc(Sc3ccccc3)cc2)cn1 ZINC001176270287 1132899857 /nfs/dbraw/zinc/89/98/57/1132899857.db2.gz XNQHEUHAZDJZJD-UHFFFAOYSA-N -1 0 325.393 3.863 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C/C(=O)N(CCC(=O)[O-])CC(C)C ZINC000766908401 1132912608 /nfs/dbraw/zinc/91/26/08/1132912608.db2.gz MPZIHBDIYZLNPS-SIFUEBAJSA-N -1 0 347.455 3.836 20 0 EHADRM COc1ccc(Br)c(Nc2csc(C(=O)[O-])c2)c1 ZINC001176437654 1132929170 /nfs/dbraw/zinc/92/91/70/1132929170.db2.gz VYWQYKQPODDMMN-UHFFFAOYSA-N -1 0 328.187 3.961 20 0 EHADRM COc1cc(Br)ccc1Nc1csc(C(=O)[O-])c1 ZINC001176439238 1132929629 /nfs/dbraw/zinc/92/96/29/1132929629.db2.gz MJKAQZJDEQEGOM-UHFFFAOYSA-N -1 0 328.187 3.961 20 0 EHADRM O=C([O-])c1cc(Nc2cc(Br)cc(F)c2O)cs1 ZINC001176440755 1132929868 /nfs/dbraw/zinc/92/98/68/1132929868.db2.gz MQBISALLPVBMMJ-UHFFFAOYSA-N -1 0 332.150 3.797 20 0 EHADRM COC(=O)c1cc(Cl)c(Nc2csc(C(=O)[O-])c2)cc1OC ZINC001176440934 1132930164 /nfs/dbraw/zinc/93/01/64/1132930164.db2.gz SAHJWJCFVNKIFG-UHFFFAOYSA-N -1 0 341.772 3.639 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)/C=C(\C)c1cccc(C(F)(F)F)c1 ZINC000767051858 1132937224 /nfs/dbraw/zinc/93/72/24/1132937224.db2.gz RYXYISINDBTECY-KXKDPZRNSA-N -1 0 343.345 3.868 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCc2cc(Cl)ccc21 ZINC000804346843 1132938716 /nfs/dbraw/zinc/93/87/16/1132938716.db2.gz UMSFEJDSVGVZEW-UHFFFAOYSA-N -1 0 330.796 3.973 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)[C@H]2SCCc3ccccc32)cc1 ZINC000767093305 1132948984 /nfs/dbraw/zinc/94/89/84/1132948984.db2.gz VKHROJBISMFVGH-VOCYLRNQSA-N -1 0 339.416 3.754 20 0 EHADRM CC(=O)c1ccnc(Cl)c1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176581523 1132959567 /nfs/dbraw/zinc/95/95/67/1132959567.db2.gz OZWNCQKTOGGFDY-UHFFFAOYSA-N -1 0 330.771 3.797 20 0 EHADRM Nc1cccc(-c2cccc(Nc3ccc(C4(C(=O)[O-])CC4)cc3)n2)n1 ZINC001176581333 1132960141 /nfs/dbraw/zinc/96/01/41/1132960141.db2.gz LHRLMVRYTACEJB-UHFFFAOYSA-N -1 0 346.390 3.586 20 0 EHADRM Cc1nccc(Br)c1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176588303 1132961447 /nfs/dbraw/zinc/96/14/47/1132961447.db2.gz BBBDLANAZCKPIN-QPJJXVBHSA-N -1 0 333.185 3.994 20 0 EHADRM COc1cc(OC)c(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c(OC)c1 ZINC001176587884 1132961563 /nfs/dbraw/zinc/96/15/63/1132961563.db2.gz BHEJKMPSIBAXJD-UHFFFAOYSA-N -1 0 343.379 3.572 20 0 EHADRM Cc1cc2nsnc2cc1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176588745 1132961938 /nfs/dbraw/zinc/96/19/38/1132961938.db2.gz DORMWFACOVPNBB-UHFFFAOYSA-N -1 0 325.393 3.860 20 0 EHADRM CCOC(=O)Cc1ccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cc1 ZINC001176589105 1132962318 /nfs/dbraw/zinc/96/23/18/1132962318.db2.gz BTQOCWKFGHEUFH-UHFFFAOYSA-N -1 0 339.391 3.652 20 0 EHADRM Cc1cc(Br)ncc1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176590503 1132962389 /nfs/dbraw/zinc/96/23/89/1132962389.db2.gz ZEFNIFAWFXEXSD-QPJJXVBHSA-N -1 0 333.185 3.994 20 0 EHADRM CC1(C)NC(=O)c2cc(Nc3ccc(C4(C(=O)[O-])CC4)cc3)ccc21 ZINC001176589849 1132962487 /nfs/dbraw/zinc/96/24/87/1132962487.db2.gz ZLQFKRVDDJGIBA-UHFFFAOYSA-N -1 0 336.391 3.525 20 0 EHADRM COc1ccccc1[C@H]1C[C@H]1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000767185542 1132962630 /nfs/dbraw/zinc/96/26/30/1132962630.db2.gz CJGDJFKWFLHIRZ-HUUCEWRRSA-N -1 0 345.782 3.789 20 0 EHADRM COC(=O)c1sc2ncccc2c1Nc1ccc(C(=O)[O-])cc1 ZINC001176708366 1132994790 /nfs/dbraw/zinc/99/47/90/1132994790.db2.gz YTGBNUJZUMIHOT-UHFFFAOYSA-N -1 0 328.349 3.525 20 0 EHADRM O=C([O-])c1ccc(Nc2ccnc(Cl)c2Br)cc1 ZINC001176710267 1132994969 /nfs/dbraw/zinc/99/49/69/1132994969.db2.gz FFKJKKKUAHDLMM-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM CCOc1cnc(Br)c(Nc2ccc(C(=O)[O-])cc2)c1 ZINC001176712055 1132995493 /nfs/dbraw/zinc/99/54/93/1132995493.db2.gz XDCXLJVDJOQDOS-UHFFFAOYSA-N -1 0 337.173 3.685 20 0 EHADRM COC(=O)c1cc(OC)c(Nc2ccc(C(=O)[O-])cc2)cc1Cl ZINC001176715205 1132996119 /nfs/dbraw/zinc/99/61/19/1132996119.db2.gz KBOLMRIXPFGXLP-UHFFFAOYSA-N -1 0 335.743 3.577 20 0 EHADRM Cc1n[nH]c(C)c1CCC(=O)Nc1cc(Cl)c(C)c(Cl)c1[O-] ZINC001177039413 1133024584 /nfs/dbraw/zinc/02/45/84/1133024584.db2.gz IQMGBTXZZSKPDN-UHFFFAOYSA-N -1 0 342.226 3.919 20 0 EHADRM Nc1ccc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])c(Cl)c1 ZINC001249736237 1133054357 /nfs/dbraw/zinc/05/43/57/1133054357.db2.gz ZVLYMGKFBDRSJM-UHFFFAOYSA-N -1 0 333.196 3.566 20 0 EHADRM COc1ccc(CC(=O)Nc2cc(Cl)c(C)c(Cl)c2[O-])cn1 ZINC001177881482 1133108777 /nfs/dbraw/zinc/10/87/77/1133108777.db2.gz VXINYEBQWFVDDA-UHFFFAOYSA-N -1 0 341.194 3.592 20 0 EHADRM Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1cccc(Cl)c1[O-] ZINC000768571262 1133156865 /nfs/dbraw/zinc/15/68/65/1133156865.db2.gz BBQCPENAONLUGX-JTQLQIEISA-N -1 0 335.835 3.797 20 0 EHADRM CC(=O)c1cc(F)c([O-])c(NC(=O)c2cc3c(C)cccn3c2)c1 ZINC001178433144 1133163641 /nfs/dbraw/zinc/16/36/41/1133163641.db2.gz LJWWQPMYHPXQFS-UHFFFAOYSA-N -1 0 326.327 3.547 20 0 EHADRM CC(=O)c1cc(F)c([O-])c(NC(=O)c2cc3cc(C)ccc3[nH]2)c1 ZINC001178428768 1133168685 /nfs/dbraw/zinc/16/86/85/1133168685.db2.gz PIWTWQLOXJOAKX-UHFFFAOYSA-N -1 0 326.327 3.776 20 0 EHADRM CC1(C)CN(C(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)CC(C)(C)C1 ZINC000768737084 1133175767 /nfs/dbraw/zinc/17/57/67/1133175767.db2.gz IPFFQBDYUDYJEV-UHFFFAOYSA-N -1 0 345.468 3.522 20 0 EHADRM C[C@H]1CCC[C@H]1CC(=O)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000769304897 1133256622 /nfs/dbraw/zinc/25/66/22/1133256622.db2.gz HAKQGJQJHUHEDH-RYUDHWBXSA-N -1 0 343.514 3.677 20 0 EHADRM CC(=O)Nc1c(C)cccc1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000769302117 1133256697 /nfs/dbraw/zinc/25/66/97/1133256697.db2.gz MABFMFFQQQMZGP-UHFFFAOYSA-N -1 0 341.392 3.636 20 0 EHADRM C[C@@H](COc1ccccc1)C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000769302478 1133257045 /nfs/dbraw/zinc/25/70/45/1133257045.db2.gz PFSFBHMFZKZCRB-NSHDSACASA-N -1 0 328.393 3.770 20 0 EHADRM Cn1cc(/C=C/c2ncc(/C=C\C(=O)[O-])s2)c(-c2cccs2)n1 ZINC000769611315 1133321949 /nfs/dbraw/zinc/32/19/49/1133321949.db2.gz XQJBLYBOZSEUOO-GUBXDBFYSA-N -1 0 343.433 3.873 20 0 EHADRM COc1cccc(NC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)c1F ZINC000769730084 1133329080 /nfs/dbraw/zinc/32/90/80/1133329080.db2.gz WZGHLQDXYUUSJO-GOSISDBHSA-N -1 0 337.391 3.834 20 0 EHADRM CC(C)Oc1c[nH]ccc1=NC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001180230534 1133346448 /nfs/dbraw/zinc/34/64/48/1133346448.db2.gz KLKUVLYCEWBORH-UHFFFAOYSA-N -1 0 341.194 3.555 20 0 EHADRM Cc1nc(-c2ccc(C)c(NC(=O)c3c([O-])cccc3Cl)c2)n[nH]1 ZINC000769948559 1133364676 /nfs/dbraw/zinc/36/46/76/1133364676.db2.gz CEQYUMIGAOCWCZ-UHFFFAOYSA-N -1 0 342.786 3.700 20 0 EHADRM CCN(C(=O)C1(C(=O)[O-])CCCCC1)[C@H](C)Cc1ccc(OC)cc1 ZINC001180434943 1133369750 /nfs/dbraw/zinc/36/97/50/1133369750.db2.gz QPMHUPVJAMDTBR-OAHLLOKOSA-N -1 0 347.455 3.510 20 0 EHADRM COc1ccc2[nH]c(C)c(CC(=O)Nc3ccccc3[S-])c2c1 ZINC001181196866 1133466061 /nfs/dbraw/zinc/46/60/61/1133466061.db2.gz BETGWKFCYUXPQT-UHFFFAOYSA-N -1 0 326.421 3.955 20 0 EHADRM Cc1cc(F)cc(CC(=O)Nc2cc(Br)ccc2O)c1 ZINC001181646951 1133508956 /nfs/dbraw/zinc/50/89/56/1133508956.db2.gz PXKWTYLTPSUQNJ-UHFFFAOYSA-N -1 0 338.176 3.783 20 0 EHADRM CC(C)[C@@]1(C)C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000774237867 1133639495 /nfs/dbraw/zinc/63/94/95/1133639495.db2.gz ZCVFSNQIGHZPPK-BDJLRTHQSA-N -1 0 343.514 3.533 20 0 EHADRM O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)c1cc(F)cc(Cl)c1[O-] ZINC001182551642 1133695296 /nfs/dbraw/zinc/69/52/96/1133695296.db2.gz GNTQTUSZRWWAPH-JKSUJKDBSA-N -1 0 349.789 3.835 20 0 EHADRM CC(C)CO[N-]C(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 ZINC001183057651 1133764745 /nfs/dbraw/zinc/76/47/45/1133764745.db2.gz LDBQAUCJSWRNNT-IBGZPJMESA-N -1 0 337.423 3.698 20 0 EHADRM COc1ccccc1[C@H]1CCN(C(=O)Cc2ccc([S-])cc2)C1 ZINC001183184038 1133776604 /nfs/dbraw/zinc/77/66/04/1133776604.db2.gz FSCDYSITICWDGL-HNNXBMFYSA-N -1 0 327.449 3.543 20 0 EHADRM O=C(Cc1ccc([S-])cc1)NCC1(Cc2ccccc2F)CC1 ZINC001183189088 1133776855 /nfs/dbraw/zinc/77/68/55/1133776855.db2.gz FZTMLAKMTLQJCW-UHFFFAOYSA-N -1 0 329.440 3.796 20 0 EHADRM Cc1cc([C@H](C)[N-]C(=O)C(F)(F)OCC(F)(F)F)ccc1Cl ZINC001183197060 1133778932 /nfs/dbraw/zinc/77/89/32/1133778932.db2.gz DBZGBXSZQQFKTC-QMMMGPOBSA-N -1 0 345.695 3.997 20 0 EHADRM Cc1c(Cl)cc(NC(=O)[C@@H]2C[C@]23CCCOC3)c([O-])c1Cl ZINC001183726019 1133846166 /nfs/dbraw/zinc/84/61/66/1133846166.db2.gz WQVCOURFRJARIJ-VFZGTOFNSA-N -1 0 330.211 3.763 20 0 EHADRM Cc1c(Cl)cc(NC(=O)CCc2ccc(N)nc2)c([O-])c1Cl ZINC001183934181 1133874049 /nfs/dbraw/zinc/87/40/49/1133874049.db2.gz FBNHMVZFDZIAIC-UHFFFAOYSA-N -1 0 340.210 3.556 20 0 EHADRM Cc1cc(C)c(NC(=O)C(C)(C)CC2CCC2)c(S(=O)(=O)[O-])c1 ZINC001183931408 1133874336 /nfs/dbraw/zinc/87/43/36/1133874336.db2.gz GJFAXZRCLJUIGD-UHFFFAOYSA-N -1 0 339.457 3.705 20 0 EHADRM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1cc(Cl)cc(Br)c1[O-] ZINC001183923410 1133878731 /nfs/dbraw/zinc/87/87/31/1133878731.db2.gz BLCQGGYNBNMYSL-OYNCUSHFSA-N -1 0 344.636 3.727 20 0 EHADRM O=C(NCc1cnccc1C(F)(F)F)c1cc(F)cc(Cl)c1[O-] ZINC001184040881 1133890407 /nfs/dbraw/zinc/89/04/07/1133890407.db2.gz HPIGODJQLYXSKK-UHFFFAOYSA-N -1 0 348.683 3.529 20 0 EHADRM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2cnco2)cc1 ZINC001185220711 1134051534 /nfs/dbraw/zinc/05/15/34/1134051534.db2.gz BKKWUPXEXIFUTA-UHFFFAOYSA-N -1 0 344.392 3.541 20 0 EHADRM CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)c2ccsc2)cc1 ZINC001185383172 1134076131 /nfs/dbraw/zinc/07/61/31/1134076131.db2.gz WSIMERVSDYEDOH-UHFFFAOYSA-N -1 0 339.438 3.504 20 0 EHADRM Cc1onc(OC(F)F)c1[N-]C(=O)c1cc(-c2ccc(C)cc2)no1 ZINC000788109423 1134076432 /nfs/dbraw/zinc/07/64/32/1134076432.db2.gz ATMHATIYOXBHBU-UHFFFAOYSA-N -1 0 349.293 3.800 20 0 EHADRM O=S(=O)(C[C@@H]1CCCOC1)[N-]c1ccccc1Oc1ccccc1 ZINC000788139130 1134083938 /nfs/dbraw/zinc/08/39/38/1134083938.db2.gz IQRXXSJOWRFSIV-OAHLLOKOSA-N -1 0 347.436 3.647 20 0 EHADRM CN(CCC(=O)c1cccs1)C(=O)C=C([O-])c1ccccc1Cl ZINC001185436830 1134086363 /nfs/dbraw/zinc/08/63/63/1134086363.db2.gz XEKPDXCUZLQJDE-UHFFFAOYSA-N -1 0 349.839 3.706 20 0 EHADRM O=C(C=C([O-])c1ccccc1Cl)N[C@H](c1cncc(F)c1)C1CC1 ZINC001185444551 1134087124 /nfs/dbraw/zinc/08/71/24/1134087124.db2.gz YRGXYOLBQYMBDK-SFHVURJKSA-N -1 0 346.789 3.714 20 0 EHADRM O=S(=O)([N-]c1cccc2cnncc21)c1cc2ccccc2s1 ZINC001185460527 1134092188 /nfs/dbraw/zinc/09/21/88/1134092188.db2.gz SJZQWMCUFFXNQA-UHFFFAOYSA-N -1 0 341.417 3.645 20 0 EHADRM Cc1c[nH]nc1NC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000788200018 1134093435 /nfs/dbraw/zinc/09/34/35/1134093435.db2.gz UKMGHYVLJLVWMF-UHFFFAOYSA-N -1 0 327.771 3.996 20 0 EHADRM Cc1nc2c([N-]S(=O)(=O)c3ccc(Cl)c(C)c3)cccn2c1C ZINC001185499369 1134099609 /nfs/dbraw/zinc/09/96/09/1134099609.db2.gz DCEPXWRIWSMNMW-UHFFFAOYSA-N -1 0 349.843 3.714 20 0 EHADRM CCC(CC)[C@H](NC(=O)C(=O)[N-]OC1CCCCC1)c1ccccc1 ZINC000788234264 1134103875 /nfs/dbraw/zinc/10/38/75/1134103875.db2.gz LLRGABZMMQVOEZ-SFHVURJKSA-N -1 0 346.471 3.661 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)Nc1nc(C)c(C)s1)C(=O)[O-] ZINC000788320966 1134113549 /nfs/dbraw/zinc/11/35/49/1134113549.db2.gz PEORWROTAIGXTB-OAHLLOKOSA-N -1 0 327.450 3.695 20 0 EHADRM CCCCC[C@@H](NC(=O)Nc1ccc(Br)cc1)C(=O)[O-] ZINC000788321264 1134113632 /nfs/dbraw/zinc/11/36/32/1134113632.db2.gz RLKKZAPAUUOSLV-GFCCVEGCSA-N -1 0 343.221 3.604 20 0 EHADRM CCCCCC[C@](C)(NC(=O)Nc1cccc(C(C)=O)c1)C(=O)[O-] ZINC000788321760 1134113736 /nfs/dbraw/zinc/11/37/36/1134113736.db2.gz MLYZKZINZQNJAT-SFHVURJKSA-N -1 0 334.416 3.824 20 0 EHADRM CC(C)C[C@H](C(=O)[O-])N(C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000788321732 1134113739 /nfs/dbraw/zinc/11/37/39/1134113739.db2.gz MCHWOEPSFKDZRH-GFCCVEGCSA-N -1 0 348.321 3.548 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)Nc1cnc(Cl)cc1Cl ZINC001185796667 1134133970 /nfs/dbraw/zinc/13/39/70/1134133970.db2.gz MVBZUDJDBKUXQJ-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)Nc1cc(Cl)ccc1[S-] ZINC001185824807 1134142044 /nfs/dbraw/zinc/14/20/44/1134142044.db2.gz PWMIENWGTGJPHN-UHFFFAOYSA-N -1 0 331.821 3.877 20 0 EHADRM O=C(CCCCNC(=O)c1cccc([S-])c1)OCc1ccccc1 ZINC001186163594 1134172061 /nfs/dbraw/zinc/17/20/61/1134172061.db2.gz UPPPXEYVXVGDJS-UHFFFAOYSA-N -1 0 343.448 3.619 20 0 EHADRM CC(C)CC[C@@H](NC(=O)c1cccc([S-])c1)C(=O)OC(C)(C)C ZINC001186163576 1134172601 /nfs/dbraw/zinc/17/26/01/1134172601.db2.gz TZBWLFIEYUYFDC-OAHLLOKOSA-N -1 0 337.485 3.852 20 0 EHADRM COCCCOc1ccc(F)cc1NC(=O)c1cccc([S-])c1 ZINC001186152802 1134176207 /nfs/dbraw/zinc/17/62/07/1134176207.db2.gz OZKIMSJNJYUAOB-UHFFFAOYSA-N -1 0 335.400 3.782 20 0 EHADRM C[C@@H](NC(=O)Nc1ncc(Br)cc1[O-])C1CCCCC1 ZINC001186310628 1134198515 /nfs/dbraw/zinc/19/85/15/1134198515.db2.gz SIOVZHZWABEMFN-SECBINFHSA-N -1 0 342.237 3.640 20 0 EHADRM CC(C)Cc1cc([N-]S(=O)(=O)c2csc3ccccc32)on1 ZINC001186451297 1134214593 /nfs/dbraw/zinc/21/45/93/1134214593.db2.gz GDURWVINKNJQKS-UHFFFAOYSA-N -1 0 336.438 3.889 20 0 EHADRM CC(=O)c1cccc([N-]S(=O)(=O)c2csc3ccccc32)c1O ZINC001186495503 1134222824 /nfs/dbraw/zinc/22/28/24/1134222824.db2.gz OTTGKESDOKKZNU-UHFFFAOYSA-N -1 0 347.417 3.610 20 0 EHADRM CC[C@H](C)[C@H](C)N(C1CC1)S(=O)(=O)c1cccc(Cl)c1[O-] ZINC001186742289 1134250574 /nfs/dbraw/zinc/25/05/74/1134250574.db2.gz ODYDJIFLDFDCGW-QWRGUYRKSA-N -1 0 331.865 3.633 20 0 EHADRM CCCc1ccnc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)c1 ZINC001187189092 1134307099 /nfs/dbraw/zinc/30/70/99/1134307099.db2.gz QHKGUPGDZFECBG-UHFFFAOYSA-N -1 0 336.482 3.775 20 0 EHADRM Cc1nc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)sc1C ZINC001187174063 1134310757 /nfs/dbraw/zinc/31/07/57/1134310757.db2.gz PCXNOVFEEMHEAT-UHFFFAOYSA-N -1 0 328.484 3.501 20 0 EHADRM O=S(=O)([N-]c1cccc(F)c1F)c1cc2c(s1)CCCC2 ZINC001187174128 1134311807 /nfs/dbraw/zinc/31/18/07/1134311807.db2.gz RVFJLJCMIFPUQI-UHFFFAOYSA-N -1 0 329.393 3.706 20 0 EHADRM COc1cccc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)c1F ZINC001187208504 1134315192 /nfs/dbraw/zinc/31/51/92/1134315192.db2.gz FGHSETYLCBCYBG-UHFFFAOYSA-N -1 0 341.429 3.575 20 0 EHADRM O=S(=O)([N-]c1cccc2ncccc12)c1c[nH]c2cccc(F)c21 ZINC000789764708 1134328701 /nfs/dbraw/zinc/32/87/01/1134328701.db2.gz NTKQLVPODRMIBL-UHFFFAOYSA-N -1 0 341.367 3.656 20 0 EHADRM Cc1oncc1S(=O)(=O)[N-]c1cccc2c3ccccc3oc21 ZINC001187379527 1134329122 /nfs/dbraw/zinc/32/91/22/1134329122.db2.gz KRIWRZAVWKKWHE-UHFFFAOYSA-N -1 0 328.349 3.683 20 0 EHADRM Cc1oncc1S(=O)(=O)[N-]c1ccc(C)cc1-c1ccccc1 ZINC001187379628 1134329595 /nfs/dbraw/zinc/32/95/95/1134329595.db2.gz NOKWYPORKPTDGY-UHFFFAOYSA-N -1 0 328.393 3.759 20 0 EHADRM O=C(NC[C@H]1CCCN(c2ccccc2)C1)c1cccc(Cl)c1[O-] ZINC000790223109 1134387903 /nfs/dbraw/zinc/38/79/03/1134387903.db2.gz AVOZODMZCRQRMR-CQSZACIVSA-N -1 0 344.842 3.692 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2nccs2)cc1-c1ccccc1 ZINC001187890209 1134398673 /nfs/dbraw/zinc/39/86/73/1134398673.db2.gz DURDFWWYCRJTJG-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM O=S(=O)(/C=C\c1ccc(F)cc1)[N-]c1nc(C2CCC2)cs1 ZINC000775156691 1134407578 /nfs/dbraw/zinc/40/75/78/1134407578.db2.gz GUGHQKRMVOIWRT-HJWRWDBZSA-N -1 0 338.429 3.962 20 0 EHADRM CCCC[C@H](CC)C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000790477361 1134423571 /nfs/dbraw/zinc/42/35/71/1134423571.db2.gz DINOLFYBBFXDFE-NHYWBVRUSA-N -1 0 327.371 3.813 20 0 EHADRM CSc1cc(C)nc(SC)c1[N-]C(=O)c1cnc(C)s1 ZINC001188408032 1134466152 /nfs/dbraw/zinc/46/61/52/1134466152.db2.gz YUTACRUBYOFMGT-UHFFFAOYSA-N -1 0 325.484 3.851 20 0 EHADRM CC(C)(C)COc1cccc(F)c1[N-]S(=O)(=O)c1ccoc1 ZINC001188614262 1134482293 /nfs/dbraw/zinc/48/22/93/1134482293.db2.gz QFEFGCFXQUOIRM-UHFFFAOYSA-N -1 0 327.377 3.644 20 0 EHADRM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1cccc(Cl)n1 ZINC000775196689 1134506217 /nfs/dbraw/zinc/50/62/17/1134506217.db2.gz QJLDQXURZXTDOG-UHFFFAOYSA-N -1 0 340.763 3.730 20 0 EHADRM CSCCO[N-]C(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 ZINC000791080954 1134506588 /nfs/dbraw/zinc/50/65/88/1134506588.db2.gz YHUYQHMBCOUUMM-AWEZNQCLSA-N -1 0 331.437 3.532 20 0 EHADRM O=S(=O)([N-]c1cncs1)c1ccc2oc3ccccc3c2c1 ZINC001188803746 1134510346 /nfs/dbraw/zinc/51/03/46/1134510346.db2.gz VXWQYERBDUMXNK-UHFFFAOYSA-N -1 0 330.390 3.843 20 0 EHADRM CCCCc1nc(COC(=O)c2c(F)cc([O-])cc2F)cs1 ZINC000746986184 1134516372 /nfs/dbraw/zinc/51/63/72/1134516372.db2.gz NMCJZFBGSUCQQO-UHFFFAOYSA-N -1 0 327.352 3.827 20 0 EHADRM O=C(OCc1ccc(Br)s1)c1c(F)cc([O-])cc1F ZINC000746986142 1134516466 /nfs/dbraw/zinc/51/64/66/1134516466.db2.gz MBCRFHOEUKWUPP-UHFFFAOYSA-N -1 0 349.152 3.851 20 0 EHADRM Cn1nc(C(C)(C)C)cc1C(=O)Nc1ccc2[n-]c(=S)sc2c1 ZINC001189037589 1134534901 /nfs/dbraw/zinc/53/49/01/1134534901.db2.gz WRLOXIRMAACLPP-UHFFFAOYSA-N -1 0 346.481 3.868 20 0 EHADRM COc1cc(C(=O)Nc2ccccc2SC(C)(C)C)nc(OC)n1 ZINC001189098956 1134545125 /nfs/dbraw/zinc/54/51/25/1134545125.db2.gz DSYYCWATXBDUSA-UHFFFAOYSA-N -1 0 347.440 3.637 20 0 EHADRM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)no2)c1 ZINC001189191789 1134549907 /nfs/dbraw/zinc/54/99/07/1134549907.db2.gz REVNBROBDRVKCC-UHFFFAOYSA-N -1 0 348.424 3.726 20 0 EHADRM CCCCOc1ccc(NC(=O)Nc2cc(=O)[n-]c(Cl)n2)cc1 ZINC001189288920 1134562185 /nfs/dbraw/zinc/56/21/85/1134562185.db2.gz SEQBRNZWIBZOBA-UHFFFAOYSA-N -1 0 336.779 3.659 20 0 EHADRM CSc1cc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)ccn1 ZINC001189364976 1134581208 /nfs/dbraw/zinc/58/12/08/1134581208.db2.gz WZMHRAVJQMYXOI-UHFFFAOYSA-N -1 0 348.424 3.897 20 0 EHADRM Cc1cc(Nc2ccc(C(=O)[O-])cc2F)n(-c2ccccc2F)n1 ZINC001203286722 1134644973 /nfs/dbraw/zinc/64/49/73/1134644973.db2.gz NOONJLTXADUQMC-UHFFFAOYSA-N -1 0 329.306 3.901 20 0 EHADRM CC1(CS(=O)(=O)[N-][C@H](c2ccc(F)cc2)C(F)(F)F)CCC1 ZINC001190024590 1134649168 /nfs/dbraw/zinc/64/91/68/1134649168.db2.gz LRJSCJCHHKIQLA-GFCCVEGCSA-N -1 0 339.354 3.539 20 0 EHADRM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1F ZINC001190348757 1134687118 /nfs/dbraw/zinc/68/71/18/1134687118.db2.gz WYLZATYKILCLHC-UHFFFAOYSA-N -1 0 335.734 3.867 20 0 EHADRM Cc1cc([C@@H](C)NS(=O)(=O)c2cc(F)cc(F)c2F)ccc1F ZINC001190413537 1134696016 /nfs/dbraw/zinc/69/60/16/1134696016.db2.gz VGIQWYICRHEIEF-SECBINFHSA-N -1 0 347.333 3.591 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc3nccn32)cc1 ZINC001190423385 1134698555 /nfs/dbraw/zinc/69/85/55/1134698555.db2.gz UTQHBQYIXTYYST-UHFFFAOYSA-N -1 0 343.452 3.823 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(F)nc2F)cc1 ZINC001190431203 1134699079 /nfs/dbraw/zinc/69/90/79/1134699079.db2.gz GQCNQRGUCDJFOW-UHFFFAOYSA-N -1 0 340.395 3.848 20 0 EHADRM Cc1nc2c([N-]S(=O)(=O)c3ccc(C4CC4)cc3)cccn2c1C ZINC001190481146 1134700602 /nfs/dbraw/zinc/70/06/02/1134700602.db2.gz UGOSAASIQXCDKY-UHFFFAOYSA-N -1 0 341.436 3.629 20 0 EHADRM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)on1 ZINC001190467906 1134705854 /nfs/dbraw/zinc/70/58/54/1134705854.db2.gz KMJGQNDYBTYEBW-UHFFFAOYSA-N -1 0 334.441 3.941 20 0 EHADRM Cc1cc(NCc2nc(-c3ccccc3)cs2)cnc1C(=O)[O-] ZINC001170247465 1134730759 /nfs/dbraw/zinc/73/07/59/1134730759.db2.gz MWYGFDKFMADUPH-UHFFFAOYSA-N -1 0 325.393 3.824 20 0 EHADRM Cc1ccccc1Oc1ccccc1[N-]S(=O)(=O)c1ccncc1 ZINC001190887005 1134763294 /nfs/dbraw/zinc/76/32/94/1134763294.db2.gz IUJLIPJLJVBVPU-UHFFFAOYSA-N -1 0 340.404 3.983 20 0 EHADRM CC1(C)CCCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000752470218 1134795392 /nfs/dbraw/zinc/79/53/92/1134795392.db2.gz BQUBAKMBWRQLQK-GFCCVEGCSA-N -1 0 343.876 3.751 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc3cccnc3c2)c1 ZINC001191185260 1134822843 /nfs/dbraw/zinc/82/28/43/1134822843.db2.gz RHHKIHLAAIVUNG-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM O=C(Nc1ccccn1)Nc1c(Cl)ccc(Br)c1[O-] ZINC001191345175 1134845884 /nfs/dbraw/zinc/84/58/84/1134845884.db2.gz HPPMAGVWYSWUSZ-UHFFFAOYSA-N -1 0 342.580 3.847 20 0 EHADRM C[C@@H]1CCC[C@@H](CC(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000747100215 1134850064 /nfs/dbraw/zinc/85/00/64/1134850064.db2.gz CWNWOWRPXOGJPE-HUUCEWRRSA-N -1 0 345.464 3.861 20 0 EHADRM CCOc1ccccc1[N-]S(=O)(=O)c1cc(C)ccc1OCC ZINC001191821349 1134930054 /nfs/dbraw/zinc/93/00/54/1134930054.db2.gz KWRNWYHQKGHQIV-UHFFFAOYSA-N -1 0 335.425 3.593 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(C)ccc1C(C)=O ZINC001191827596 1134932337 /nfs/dbraw/zinc/93/23/37/1134932337.db2.gz BBQZHYGOVGUUCH-UHFFFAOYSA-N -1 0 347.436 3.706 20 0 EHADRM CON(Cc1ccccc1Cl)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000794339878 1135041806 /nfs/dbraw/zinc/04/18/06/1135041806.db2.gz MJLOWZVDAWAMSA-UHFFFAOYSA-N -1 0 345.704 3.667 20 0 EHADRM O=C(NCC1(Cc2ccccc2F)CC1)c1c([O-])ccc(F)c1F ZINC001192785664 1135054540 /nfs/dbraw/zinc/05/45/40/1135054540.db2.gz IDTQWRDBQMSGGQ-UHFFFAOYSA-N -1 0 335.325 3.562 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cccc3ccncc32)c1 ZINC001192820711 1135058843 /nfs/dbraw/zinc/05/88/43/1135058843.db2.gz FDHLRVILOSJSAH-UHFFFAOYSA-N -1 0 342.420 3.607 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2c(C)cc(F)cc2C)c1 ZINC001192819279 1135059024 /nfs/dbraw/zinc/05/90/24/1135059024.db2.gz YBTOCDUTYWUBPL-UHFFFAOYSA-N -1 0 337.416 3.814 20 0 EHADRM O=C(NCc1cc(F)c(C(F)(F)F)cc1F)c1cccc(F)c1[O-] ZINC001129464210 1135064582 /nfs/dbraw/zinc/06/45/82/1135064582.db2.gz DRWPAXARIRXOBZ-UHFFFAOYSA-N -1 0 349.230 3.758 20 0 EHADRM CC1=C(C(=O)[N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2C)CCC1 ZINC000747197033 1135119158 /nfs/dbraw/zinc/11/91/58/1135119158.db2.gz GRODUPISHGDYPR-UHFFFAOYSA-N -1 0 335.469 3.598 20 0 EHADRM O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cc(=O)[nH][n-]1 ZINC001193468137 1135140961 /nfs/dbraw/zinc/14/09/61/1135140961.db2.gz DHQZIMKCYRINGR-UHFFFAOYSA-N -1 0 336.376 3.644 20 0 EHADRM O=C(Nc1cccc2nccnc21)c1ccc(O)cc1C(F)(F)F ZINC001193745073 1135176553 /nfs/dbraw/zinc/17/65/53/1135176553.db2.gz CMRJYYWCJVDCLW-UHFFFAOYSA-N -1 0 333.269 3.607 20 0 EHADRM O=C(Nc1ccc(C2CCOCC2)cc1)c1ccc(F)c([O-])c1F ZINC001193784967 1135180622 /nfs/dbraw/zinc/18/06/22/1135180622.db2.gz VLXBJXDNAQQMLX-UHFFFAOYSA-N -1 0 333.334 3.817 20 0 EHADRM C[C@@H](O)c1cc(NC(=O)c2ccc3[n-]c(=S)oc3c2)ccc1F ZINC000804801010 1135195404 /nfs/dbraw/zinc/19/54/04/1135195404.db2.gz SBISJLVNZAXAQO-MRVPVSSYSA-N -1 0 332.356 3.561 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cccs3)cc2)cn1 ZINC001194131506 1135230200 /nfs/dbraw/zinc/23/02/00/1135230200.db2.gz ZTMBAMSQXFWUBO-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM Cc1c2cc(F)ccc2oc1S(=O)(=O)NC[C@@]1(C)CC1(C)C ZINC001194234434 1135243715 /nfs/dbraw/zinc/24/37/15/1135243715.db2.gz VCCLBFXJAIMZCL-MRXNPFEDSA-N -1 0 325.405 3.595 20 0 EHADRM O=C(Nc1ccc2ccccc2c1S(=O)(=O)[O-])Oc1ccccc1 ZINC001194254048 1135251123 /nfs/dbraw/zinc/25/11/23/1135251123.db2.gz PMFJTAJBSXEMGF-UHFFFAOYSA-N -1 0 343.360 3.697 20 0 EHADRM Cc1cccnc1C(F)(F)C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000805255029 1135253352 /nfs/dbraw/zinc/25/33/52/1135253352.db2.gz LDPXQXPCDGOQCI-UHFFFAOYSA-N -1 0 330.693 3.619 20 0 EHADRM COc1cc(Br)c(O)c(NC(=O)OCC(C)(C)C)c1 ZINC001194386562 1135262318 /nfs/dbraw/zinc/26/23/18/1135262318.db2.gz ILVOVEAXYKROQA-UHFFFAOYSA-N -1 0 332.194 3.758 20 0 EHADRM Cc1ncnc(C)c1[N-]S(=O)(=O)c1cccc2c(Cl)cccc21 ZINC001194410594 1135266058 /nfs/dbraw/zinc/26/60/58/1135266058.db2.gz FEBRYHWPHZTJNU-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM O=S(=O)([N-]c1ccccc1CO)c1cccc2c(Cl)cccc21 ZINC001194429050 1135271990 /nfs/dbraw/zinc/27/19/90/1135271990.db2.gz RFAUPZLWFHPFQO-UHFFFAOYSA-N -1 0 347.823 3.786 20 0 EHADRM Cc1cc(Cl)ccc1-c1noc(C(C)(C)[N-]C(=O)C(F)(F)F)n1 ZINC000867108099 1135306384 /nfs/dbraw/zinc/30/63/84/1135306384.db2.gz HJIXTSYBBQNFDH-UHFFFAOYSA-N -1 0 347.724 3.612 20 0 EHADRM O=C([O-])c1nnc(-c2ccc(F)c(F)c2Cl)cc1C(F)(F)F ZINC001205676193 1135322211 /nfs/dbraw/zinc/32/22/11/1135322211.db2.gz UWHNPVMRJIJUCA-UHFFFAOYSA-N -1 0 338.619 3.792 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)nn2C)c1 ZINC001195120141 1135372425 /nfs/dbraw/zinc/37/24/25/1135372425.db2.gz KRXNIMPACPJNGZ-UHFFFAOYSA-N -1 0 335.473 3.642 20 0 EHADRM COc1cc(OC)c(NC(=O)c2cccc(Cl)c2[O-])cc1Cl ZINC000775638849 1135373117 /nfs/dbraw/zinc/37/31/17/1135373117.db2.gz JDOKKQPSEIDPPJ-UHFFFAOYSA-N -1 0 342.178 3.969 20 0 EHADRM COC(=O)c1ccc(C)cc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC001195156388 1135382964 /nfs/dbraw/zinc/38/29/64/1135382964.db2.gz KKDMHGXRWBEYLI-UHFFFAOYSA-N -1 0 347.436 3.706 20 0 EHADRM COc1cc(NC(=O)c2cccc(Cl)c2[O-])c(OC)cc1Cl ZINC000775643363 1135383230 /nfs/dbraw/zinc/38/32/30/1135383230.db2.gz OXUZAIRAMLYZEB-UHFFFAOYSA-N -1 0 342.178 3.969 20 0 EHADRM COc1c([N-]S(=O)(=O)c2cccc(C(C)C)c2)ccc(F)c1F ZINC001195169133 1135386330 /nfs/dbraw/zinc/38/63/30/1135386330.db2.gz JAYVJWUABNRRGO-UHFFFAOYSA-N -1 0 341.379 3.898 20 0 EHADRM COc1ccc(C)c([N-]S(=O)(=O)c2c(C)cccc2Cl)c1 ZINC001195268681 1135402929 /nfs/dbraw/zinc/40/29/29/1135402929.db2.gz YINPSKCNWZUFFI-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM COc1ncc([N-]S(=O)(=O)c2c(C)cccc2Cl)cc1Cl ZINC001195277510 1135404317 /nfs/dbraw/zinc/40/43/17/1135404317.db2.gz JCYKTWPMXQSRDO-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CC(C)CCOC1CCN(C(=O)c2cccc(Cl)c2[O-])CC1 ZINC000775662521 1135438059 /nfs/dbraw/zinc/43/80/59/1135438059.db2.gz YFDNJLVTSOPZFD-UHFFFAOYSA-N -1 0 325.836 3.713 20 0 EHADRM COCCN(C(=O)c1cccc(Cl)c1[O-])[C@@H](C)c1ccccc1 ZINC000775681693 1135504994 /nfs/dbraw/zinc/50/49/94/1135504994.db2.gz QCYMSNVWLYOLFF-ZDUSSCGKSA-N -1 0 333.815 3.895 20 0 EHADRM O=C(Nc1ccc(OCC(F)(F)F)cc1)c1cc(Cl)ncc1[O-] ZINC001196396675 1135555391 /nfs/dbraw/zinc/55/53/91/1135555391.db2.gz LXBFFBBTPRONJM-UHFFFAOYSA-N -1 0 346.692 3.634 20 0 EHADRM O=C(Nc1cccc(Cl)c1CO)c1cc(Cl)c(F)cc1[O-] ZINC001196465993 1135563869 /nfs/dbraw/zinc/56/38/69/1135563869.db2.gz DWPDVFBQYABXDI-UHFFFAOYSA-N -1 0 330.142 3.583 20 0 EHADRM COc1ccc2c(c1)[C@@H](NC(=O)c1cc(Cl)c(F)cc1[O-])CC2 ZINC001196478612 1135566456 /nfs/dbraw/zinc/56/64/56/1135566456.db2.gz XCGGUJUQKMFFMS-HNNXBMFYSA-N -1 0 335.762 3.611 20 0 EHADRM COc1cc(C)c(S(=O)(=O)Nc2cncc(C(C)(C)C)c2)c(C)c1 ZINC001196857524 1135623799 /nfs/dbraw/zinc/62/37/99/1135623799.db2.gz XKNBHQRQEQTZAA-UHFFFAOYSA-N -1 0 348.468 3.805 20 0 EHADRM CN(CCc1ccccc1Cl)C(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197096560 1135645301 /nfs/dbraw/zinc/64/53/01/1135645301.db2.gz AKOGVZJNGPEJHZ-UHFFFAOYSA-N -1 0 348.855 3.910 20 0 EHADRM O=c1cc(CNC(=S)Nc2ccc(Oc3ccccc3)cc2)o[n-]1 ZINC001197061852 1135646347 /nfs/dbraw/zinc/64/63/47/1135646347.db2.gz WZSUSQXIXVYNFS-UHFFFAOYSA-N -1 0 341.392 3.659 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N[C@H]2CCCc3cc(F)ccc32)cc1 ZINC001197138685 1135648988 /nfs/dbraw/zinc/64/89/88/1135648988.db2.gz MDEOVDQQHJDJOG-INIZCTEOSA-N -1 0 344.411 3.888 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2cccc3cncc(F)c32)cc1 ZINC001197119125 1135651463 /nfs/dbraw/zinc/65/14/63/1135651463.db2.gz BMDYZXYNQHICHN-UHFFFAOYSA-N -1 0 341.367 3.881 20 0 EHADRM C[C@H]1[C@H]2C[C@@H](C[C@H]1NC(=S)Nc1ccc(C(=O)[O-])cc1)C2(C)C ZINC001197148203 1135653904 /nfs/dbraw/zinc/65/39/04/1135653904.db2.gz SOAMUFIVSANBAC-OBCWZRDOSA-N -1 0 332.469 3.742 20 0 EHADRM CC(C)(CNC(=S)Nc1ccc(C(=O)[O-])cc1)CC(F)(F)F ZINC001197148194 1135654173 /nfs/dbraw/zinc/65/41/73/1135654173.db2.gz SIYSLVUVWNDLBZ-UHFFFAOYSA-N -1 0 334.363 3.650 20 0 EHADRM Cc1ccc(NC(=O)c2cccc(Cl)c2[O-])cc1N1CCOC1=O ZINC000775762787 1135656843 /nfs/dbraw/zinc/65/68/43/1135656843.db2.gz KCXQSKZFWYWGCD-UHFFFAOYSA-N -1 0 346.770 3.563 20 0 EHADRM CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)c1cccc(Cl)c1[O-] ZINC000775778755 1135718790 /nfs/dbraw/zinc/71/87/90/1135718790.db2.gz WVTMAYJEPQSOOY-UHFFFAOYSA-N -1 0 341.798 3.708 20 0 EHADRM O=S(=O)(Cc1ccccn1)[N-]c1cccc2c3ccccc3oc21 ZINC001197829666 1135744679 /nfs/dbraw/zinc/74/46/79/1135744679.db2.gz ZOKLKYRTZJSEBQ-UHFFFAOYSA-N -1 0 338.388 3.923 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)cc1 ZINC000809065005 1135770209 /nfs/dbraw/zinc/77/02/09/1135770209.db2.gz RXAKDLACRUHABL-FGTMMUONSA-N -1 0 349.496 3.548 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cccc(Cl)n2)c(C)cc1Cl ZINC001198231600 1135789171 /nfs/dbraw/zinc/78/91/71/1135789171.db2.gz QXOVROVFIIGPOB-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(F)(F)F)cn1 ZINC001198314270 1135799271 /nfs/dbraw/zinc/79/92/71/1135799271.db2.gz TWLYJXPWJYJCJZ-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM O=C(Nc1ccccc1[S-])c1n[nH]c2ccc(Br)cc21 ZINC001198419581 1135812979 /nfs/dbraw/zinc/81/29/79/1135812979.db2.gz UKPVYSHNMUHKDB-UHFFFAOYSA-N -1 0 348.225 3.866 20 0 EHADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)c1nc([C@H]2CCC[C@@H](C)C2)no1 ZINC000809343712 1135821443 /nfs/dbraw/zinc/82/14/43/1135821443.db2.gz HVZZDAWLTQENPP-VWYCJHECSA-N -1 0 333.354 3.739 20 0 EHADRM CCc1cc(C)cc(CC)c1NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198783020 1135852601 /nfs/dbraw/zinc/85/26/01/1135852601.db2.gz SAMVLWPSFDHKHP-UHFFFAOYSA-N -1 0 347.436 3.619 20 0 EHADRM O=S(=O)([N-]c1cnc2cccc(F)c2c1)c1ccc2occc2c1 ZINC001198825822 1135857289 /nfs/dbraw/zinc/85/72/89/1135857289.db2.gz HOAZQRIFWINBTN-UHFFFAOYSA-N -1 0 342.351 3.921 20 0 EHADRM O=C([N-]Cc1cccc(F)c1F)C(F)(F)c1cc(F)cc(F)c1 ZINC001131930903 1135897950 /nfs/dbraw/zinc/89/79/50/1135897950.db2.gz XOFROQIITCMANU-UHFFFAOYSA-N -1 0 333.231 3.651 20 0 EHADRM CCOC(=O)[C@H](C)NC(=S)[N-]c1ccccc1SC(C)(C)C ZINC001199840028 1135931545 /nfs/dbraw/zinc/93/15/45/1135931545.db2.gz ASIUMFCGZIWEMU-NSHDSACASA-N -1 0 340.514 3.815 20 0 EHADRM Cc1cccc(S(=O)(=O)Nc2ccc(N(C)C)c(C)c2)c1Cl ZINC000776082533 1135949961 /nfs/dbraw/zinc/94/99/61/1135949961.db2.gz IFRMBVOFWBSTAA-UHFFFAOYSA-N -1 0 338.860 3.824 20 0 EHADRM Cc1ccnc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)c1 ZINC000105564823 1135955567 /nfs/dbraw/zinc/95/55/67/1135955567.db2.gz UEECGJDXOSFTTM-UHFFFAOYSA-N -1 0 348.371 3.803 20 0 EHADRM O=c1cc(NC(=S)Nc2cccc(Cl)c2Cl)nc(Cl)[n-]1 ZINC001201008747 1135977286 /nfs/dbraw/zinc/97/72/86/1135977286.db2.gz SRNBGHBDXMCBKE-UHFFFAOYSA-N -1 0 349.630 3.951 20 0 EHADRM O=C(NC[C@@H]1CC=CC[C@H]1C(F)(F)F)c1cccc(Cl)c1[O-] ZINC001132400267 1135993152 /nfs/dbraw/zinc/99/31/52/1135993152.db2.gz FFAJZFPAWHRRGS-GXSJLCMTSA-N -1 0 333.737 3.920 20 0 EHADRM CN(Cc1ccccc1Br)Cc1ccccc1C(=O)[O-] ZINC000048892608 1136023203 /nfs/dbraw/zinc/02/32/03/1136023203.db2.gz QADCYKXDRXADAI-UHFFFAOYSA-N -1 0 334.213 3.779 20 0 EHADRM CC(C)Oc1cncc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)c1 ZINC001201549307 1136035671 /nfs/dbraw/zinc/03/56/71/1136035671.db2.gz APPSUIDVSNWHTJ-UHFFFAOYSA-N -1 0 342.804 3.513 20 0 EHADRM Cc1ccccc1Oc1cccc(S(=O)(=O)N[C@@H]2[CH]CC=C2)c1 ZINC001201589844 1136043981 /nfs/dbraw/zinc/04/39/81/1136043981.db2.gz WQYMNLAGPAJJSN-HNNXBMFYSA-N -1 0 328.413 3.598 20 0 EHADRM COc1cccc(NC(=O)Nc2c(Cl)c(F)[n-]c(=O)c2Cl)c1 ZINC001202269162 1136116322 /nfs/dbraw/zinc/11/63/22/1136116322.db2.gz AGNUEGUUHIDQLR-UHFFFAOYSA-N -1 0 346.145 3.886 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccnc(Cl)c2C)c(Cl)c1 ZINC000811835602 1136143121 /nfs/dbraw/zinc/14/31/21/1136143121.db2.gz DGGZGIHKDWFIBN-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM O=C(CSc1ccc2c3c(cccc31)CC2)[N-]OC/C=C/Cl ZINC000812403240 1136201722 /nfs/dbraw/zinc/20/17/22/1136201722.db2.gz PHWZDFXHGSGWOK-XNWCZRBMSA-N -1 0 333.840 3.831 20 0 EHADRM O=C(Cc1csc(-c2ccccc2Cl)n1)[N-]OC/C=C/Cl ZINC000812401765 1136201812 /nfs/dbraw/zinc/20/18/12/1136201812.db2.gz CYMNNCBRNKNQNY-ZZXKWVIFSA-N -1 0 343.235 3.806 20 0 EHADRM CCOc1ccc(C(C)(C)C(=O)[N-]OC/C=C\Cl)cc1OCC ZINC000812404848 1136202238 /nfs/dbraw/zinc/20/22/38/1136202238.db2.gz KUJNUSGMPDEKDA-YFHOEESVSA-N -1 0 341.835 3.562 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)Cc2ccc(F)cc2)c1 ZINC000812709298 1136236504 /nfs/dbraw/zinc/23/65/04/1136236504.db2.gz UTICSGVDORTGAI-LBPRGKRZSA-N -1 0 329.371 3.941 20 0 EHADRM CCCC[C@](C)(F)C(=O)[N-]S(=O)(=O)c1csc2ccccc21 ZINC000851019170 1136329080 /nfs/dbraw/zinc/32/90/80/1136329080.db2.gz YPENMPYWAXAWTM-HNNXBMFYSA-N -1 0 343.445 3.625 20 0 EHADRM O=C(CCC1CC1)O[C@H]1C[C@@H]([N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000851176352 1136346785 /nfs/dbraw/zinc/34/67/85/1136346785.db2.gz OVNPWHKACOHFGV-KGLIPLIRSA-N -1 0 341.329 3.584 20 0 EHADRM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1n[n-]c2ccccc2c1=O ZINC000109943527 1136371697 /nfs/dbraw/zinc/37/16/97/1136371697.db2.gz XUALZAWMLPVTSA-LBPRGKRZSA-N -1 0 347.374 3.503 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C(CC)(CC)CC ZINC000814015391 1136386752 /nfs/dbraw/zinc/38/67/52/1136386752.db2.gz WMTGNRBUGHBQIR-OAHLLOKOSA-N -1 0 325.474 3.800 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCCc1ccccc1 ZINC000814016499 1136386761 /nfs/dbraw/zinc/38/67/61/1136386761.db2.gz MQSKCCSWWGUADI-GOSISDBHSA-N -1 0 345.464 3.607 20 0 EHADRM CC(C)c1ccccc1C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000851599195 1136395430 /nfs/dbraw/zinc/39/54/30/1136395430.db2.gz LTNJCVAPNGKQHT-OAHLLOKOSA-N -1 0 343.398 3.622 20 0 EHADRM COCc1cc(NC(=O)c2ccccc2C(C)C)cc(C(=O)[O-])c1 ZINC000851603972 1136395940 /nfs/dbraw/zinc/39/59/40/1136395940.db2.gz IEBBHSOZOSWUSH-UHFFFAOYSA-N -1 0 327.380 3.907 20 0 EHADRM CC1(C)C[C@@H](c2ccccc2)N(C(=O)c2ccc(/C=C\C(=O)[O-])o2)C1 ZINC000851609554 1136396167 /nfs/dbraw/zinc/39/61/67/1136396167.db2.gz WNARGNVLSVQNQO-SLWQEBJJSA-N -1 0 339.391 3.991 20 0 EHADRM CC(C)CCCCCC(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC000851616887 1136396452 /nfs/dbraw/zinc/39/64/52/1136396452.db2.gz XOAZKTOHDSLAGW-OLZOCXBDSA-N -1 0 337.382 3.705 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N2CCC[C@@H](C3CCCCC3)C2)o1 ZINC000851625210 1136396523 /nfs/dbraw/zinc/39/65/23/1136396523.db2.gz UKCBTECTYPHUJG-SLZMIMFISA-N -1 0 331.412 3.810 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N2CCC[C@H](C3CCCCC3)C2)o1 ZINC000851625208 1136396844 /nfs/dbraw/zinc/39/68/44/1136396844.db2.gz UKCBTECTYPHUJG-KLQCNHIUSA-N -1 0 331.412 3.810 20 0 EHADRM Cc1ccc(-c2ccncc2)cc1NC(=O)C1CCC(C(=O)[O-])CC1 ZINC000852951188 1136494250 /nfs/dbraw/zinc/49/42/50/1136494250.db2.gz NYTJHFQTOBZZHG-UHFFFAOYSA-N -1 0 338.407 3.887 20 0 EHADRM CCOC(=O)[C@H](CC(C)(C)F)Nc1ccc2oc(=S)[n-]c2c1 ZINC001170790704 1136608941 /nfs/dbraw/zinc/60/89/41/1136608941.db2.gz GWCHPZDAMPFPTR-NSHDSACASA-N -1 0 326.393 3.598 20 0 EHADRM CC(=O)CCCCCCC(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000854644119 1136634091 /nfs/dbraw/zinc/63/40/91/1136634091.db2.gz FOHHQRNUGGRDHE-UHFFFAOYSA-N -1 0 329.400 3.650 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)nc1 ZINC000815815112 1136639997 /nfs/dbraw/zinc/63/99/97/1136639997.db2.gz LTOKCLTWBGTEGG-UHFFFAOYSA-N -1 0 343.408 3.941 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccccc1Cl)/C(F)=C\C1CCCCC1 ZINC000815898306 1136648889 /nfs/dbraw/zinc/64/88/89/1136648889.db2.gz YTNDZDKHWDVKPM-JLHYYAGUSA-N -1 0 345.823 3.579 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)C(C)(C)C(C)(C)C)c(Cl)cc1F ZINC000815983029 1136659753 /nfs/dbraw/zinc/65/97/53/1136659753.db2.gz NZWAPSAHUKFYTE-UHFFFAOYSA-N -1 0 349.855 3.665 20 0 EHADRM Cc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)[C@@H](c2ccccc2)C(C)C)o1 ZINC000816108356 1136677094 /nfs/dbraw/zinc/67/70/94/1136677094.db2.gz FFKSZIHBBDIOFB-WMLDXEAASA-N -1 0 349.452 3.535 20 0 EHADRM Cc1ccc(F)c(C(=O)[N-]S(=O)(=O)[C@H](c2ccccc2)C(C)C)c1 ZINC000816112942 1136677751 /nfs/dbraw/zinc/67/77/51/1136677751.db2.gz GREONMLHEZUCQN-KRWDZBQOSA-N -1 0 349.427 3.591 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)/C=C\c1ccsc1 ZINC000816113401 1136677978 /nfs/dbraw/zinc/67/79/78/1136677978.db2.gz RSQQPLSSMAHUIL-XZVRFQMRSA-N -1 0 349.477 3.605 20 0 EHADRM COc1ccccc1C1(C(=O)[N-]OCCC(F)(F)F)CCCCC1 ZINC000816211574 1136686358 /nfs/dbraw/zinc/68/63/58/1136686358.db2.gz HSXNEZGEFUGRRH-UHFFFAOYSA-N -1 0 345.361 3.897 20 0 EHADRM Cc1cccc(C)c1CS(=O)(=O)[N-]C(=O)c1sccc1C1CC1 ZINC000816335658 1136701593 /nfs/dbraw/zinc/70/15/93/1136701593.db2.gz WYHIPLXKSRGFAV-UHFFFAOYSA-N -1 0 349.477 3.502 20 0 EHADRM Cn1cccc1[C@H]1CCCCN1C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000816942191 1136768365 /nfs/dbraw/zinc/76/83/65/1136768365.db2.gz GYQQCZSAMWWPRZ-OAHLLOKOSA-N -1 0 341.436 3.822 20 0 EHADRM CC[C@H](C)CO[N-]C(=O)C1(c2cccc(Br)c2)CC1 ZINC000816976543 1136769278 /nfs/dbraw/zinc/76/92/78/1136769278.db2.gz FXACUKDTDOKURQ-NSHDSACASA-N -1 0 326.234 3.575 20 0 EHADRM CCCCc1ccc([C@@H](NC(=O)c2c[n-]ncc2=O)C(C)C)cc1 ZINC001135881624 1136793485 /nfs/dbraw/zinc/79/34/85/1136793485.db2.gz XISNABPZFADFMY-SFHVURJKSA-N -1 0 327.428 3.652 20 0 EHADRM C/C(=C/C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21)c1cccs1 ZINC000856927629 1136824657 /nfs/dbraw/zinc/82/46/57/1136824657.db2.gz RXOXQWTYVGGWND-UGIVGXONSA-N -1 0 333.453 3.643 20 0 EHADRM O=C([O-])[C@H]1CC[C@@H](c2ccccc2)N1C(=O)C=C(C1CC1)C1CC1 ZINC000856979057 1136829566 /nfs/dbraw/zinc/82/95/66/1136829566.db2.gz GTRCBMXNMZQWIO-ZWKOTPCHSA-N -1 0 325.408 3.550 20 0 EHADRM CCCC[C@H](C(=O)[N-]S(=O)(=O)c1sccc1Cl)C(C)C ZINC000857032631 1136835033 /nfs/dbraw/zinc/83/50/33/1136835033.db2.gz TUDIFLUJKMUSAJ-JTQLQIEISA-N -1 0 337.894 3.669 20 0 EHADRM CCCCCC[C@@H](C)NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC001136023505 1136839000 /nfs/dbraw/zinc/83/90/00/1136839000.db2.gz ZTUCMKPTRFNHIC-CYBMUJFWSA-N -1 0 333.407 3.806 20 0 EHADRM Cc1noc(C)c1NC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000266007368 1136869020 /nfs/dbraw/zinc/86/90/20/1136869020.db2.gz QAYZMJJDOLJKHN-UHFFFAOYSA-N -1 0 340.383 3.558 20 0 EHADRM Cc1ccc(Cl)cc1N(C)C(=O)c1n[n-]c2ccccc2c1=O ZINC000818809725 1136889871 /nfs/dbraw/zinc/88/98/71/1136889871.db2.gz USHZMBDVJQKPIO-UHFFFAOYSA-N -1 0 327.771 3.574 20 0 EHADRM O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(Cl)c([O-])c1 ZINC001136282737 1136968493 /nfs/dbraw/zinc/96/84/93/1136968493.db2.gz WOZRCFJGGIJEQB-HNNXBMFYSA-N -1 0 347.798 3.856 20 0 EHADRM C[C@@H]1CC[C@H](C)CN1C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000820447583 1136992446 /nfs/dbraw/zinc/99/24/46/1136992446.db2.gz YOXCIWJGPRAPNH-QWHCGFSZSA-N -1 0 327.380 3.725 20 0 EHADRM CCCN(C(=O)Nc1cc(Cl)c(N)c(Cl)c1)[C@@H](CC)C(=O)[O-] ZINC000797748631 1137019932 /nfs/dbraw/zinc/01/99/32/1137019932.db2.gz QCMYKDOXJNVWHA-NSHDSACASA-N -1 0 348.230 3.683 20 0 EHADRM CCN(CCC1CC1)C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000821943483 1137043405 /nfs/dbraw/zinc/04/34/05/1137043405.db2.gz GCADWHYJOCDQJD-UHFFFAOYSA-N -1 0 327.380 3.727 20 0 EHADRM OC(=NOCC1CCC1)N=c1nc(Sc2ccccc2)[n-]s1 ZINC000821925807 1137044770 /nfs/dbraw/zinc/04/47/70/1137044770.db2.gz WHAGSBBSBFYXLO-UHFFFAOYSA-N -1 0 336.442 3.543 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1cccc(C2SCCS2)c1 ZINC000013468479 1137087122 /nfs/dbraw/zinc/08/71/22/1137087122.db2.gz QAZSBXPUDCLHIQ-KBPBESRZSA-N -1 0 349.477 3.771 20 0 EHADRM COc1ccc(Cl)cc1C(F)(F)C(=O)[N-][C@H](C)C(F)(F)F ZINC000823217065 1137091017 /nfs/dbraw/zinc/09/10/17/1137091017.db2.gz KPHPDENXGGSRHV-ZCFIWIBFSA-N -1 0 331.668 3.507 20 0 EHADRM CC(C)(C)c1ccc(/C=C/C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])cc1 ZINC000823339477 1137095788 /nfs/dbraw/zinc/09/57/88/1137095788.db2.gz QTEOUCRIBFFEIW-YSKGHYERSA-N -1 0 343.345 3.519 20 0 EHADRM CCCCCCOc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000823340750 1137095806 /nfs/dbraw/zinc/09/58/06/1137095806.db2.gz RQPBVMDNJKABNG-QAPCUYQASA-N -1 0 347.455 3.829 20 0 EHADRM CC[C@H](C)CO[N-]C(=O)c1ccc(-c2cccc(Cl)c2)[nH]c1=O ZINC000861810060 1137121411 /nfs/dbraw/zinc/12/14/11/1137121411.db2.gz ZUTUNLRADMRXOW-NSHDSACASA-N -1 0 334.803 3.815 20 0 EHADRM CCC[C@H]1SCCN1C(=O)c1cc(Br)cc(F)c1[O-] ZINC001136820447 1137123839 /nfs/dbraw/zinc/12/38/39/1137123839.db2.gz VNZCJXLNCKVUSC-LLVKDONJSA-N -1 0 348.237 3.609 20 0 EHADRM O=S(=O)([N-]c1ccnc(-c2ccccc2)c1)c1cncc(Cl)c1 ZINC000339033882 1137129296 /nfs/dbraw/zinc/12/92/96/1137129296.db2.gz UZZJMMRPBGNMBD-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM CCCON=C([O-])Nc1nc(-c2ccccc2C(F)(F)F)ns1 ZINC000824720288 1137150097 /nfs/dbraw/zinc/15/00/97/1137150097.db2.gz NCORTOGIQJXVKD-UHFFFAOYSA-N -1 0 346.334 3.687 20 0 EHADRM O=C(Nc1ccc2c(c1)COC(=O)N2)c1ccc2c(c1O)CCCC2 ZINC000862784823 1137157271 /nfs/dbraw/zinc/15/72/71/1137157271.db2.gz RMHXKBGOPYZZGC-UHFFFAOYSA-N -1 0 338.363 3.585 20 0 EHADRM CC(C)Sc1ccc(C(=O)N=c2[n-]nc(C(F)(F)F)s2)cc1 ZINC000339053107 1137173368 /nfs/dbraw/zinc/17/33/68/1137173368.db2.gz UYSUPLJWHAAELR-UHFFFAOYSA-N -1 0 347.387 3.732 20 0 EHADRM O=C(NC[C@@H]1CC=CC[C@H]1C(F)(F)F)c1cc(F)c([O-])c(F)c1 ZINC000825495016 1137179772 /nfs/dbraw/zinc/17/97/72/1137179772.db2.gz BVLUBQBIOUBJEZ-WCBMZHEXSA-N -1 0 335.272 3.545 20 0 EHADRM Cc1ccc2[nH+]cc(C(=O)[O-])c(N3CC[C@@H](c4ccccn4)C3)c2c1 ZINC000844209115 1137204541 /nfs/dbraw/zinc/20/45/41/1137204541.db2.gz SYMGBMWIIWDFBR-CQSZACIVSA-N -1 0 333.391 3.630 20 0 EHADRM Cc1cc2c(CC(=O)NCCCCCCC(=O)[O-])csc2s1 ZINC000864120085 1137216023 /nfs/dbraw/zinc/21/60/23/1137216023.db2.gz CNQXGHOFTGPPAY-UHFFFAOYSA-N -1 0 339.482 3.965 20 0 EHADRM CC(C)(CNC(=O)Cc1coc2c1ccc(Cl)c2Cl)C(=O)[O-] ZINC000864121820 1137216046 /nfs/dbraw/zinc/21/60/46/1137216046.db2.gz KSSJQNCMYFHCBF-UHFFFAOYSA-N -1 0 344.194 3.509 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC000864123191 1137216308 /nfs/dbraw/zinc/21/63/08/1137216308.db2.gz IXEAFAUTBDEHGL-VOJFVSQTSA-N -1 0 329.421 3.796 20 0 EHADRM CCCN(CCc1cccc(F)c1)C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000864128598 1137216468 /nfs/dbraw/zinc/21/64/68/1137216468.db2.gz MSSQTWAJERAQKU-VOTSOKGWSA-N -1 0 345.370 3.611 20 0 EHADRM CC[C@@H]1c2ccccc2CCN1C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000864128901 1137216540 /nfs/dbraw/zinc/21/65/40/1137216540.db2.gz YZKBLLZJEXZQLJ-XAVKZTDYSA-N -1 0 325.364 3.527 20 0 EHADRM CCCC[C@H](NC(=O)Cc1csc2sc(C)cc12)C(=O)[O-] ZINC000864133656 1137216618 /nfs/dbraw/zinc/21/66/18/1137216618.db2.gz WGAVXXXKGCMUGN-LBPRGKRZSA-N -1 0 325.455 3.573 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)/C=C\c1ccc2[nH]ccc2c1 ZINC000864131949 1137216732 /nfs/dbraw/zinc/21/67/32/1137216732.db2.gz GOUKDBUPIJNKQH-NTMALXAHSA-N -1 0 328.412 3.723 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)/C=C/c1csc(C(F)(F)F)c1 ZINC000864141968 1137216895 /nfs/dbraw/zinc/21/68/95/1137216895.db2.gz UJXYZTKZEDOSHP-NNTXTVRGSA-N -1 0 349.374 3.786 20 0 EHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)c1cc2c(cccc2C2CC2)[nH]1 ZINC000864142020 1137216932 /nfs/dbraw/zinc/21/69/32/1137216932.db2.gz VKHBUAADAAJNIC-LJQANCHMSA-N -1 0 328.412 3.665 20 0 EHADRM Cc1cc(C)cc([C@H]2CCN(C(=O)/C=C/c3cc(C(=O)[O-])co3)C2)c1 ZINC000864136849 1137216957 /nfs/dbraw/zinc/21/69/57/1137216957.db2.gz CXXNRSZWUVQOKS-BWPKMQGJSA-N -1 0 339.391 3.624 20 0 EHADRM CCC[C@H](CNC(=O)Cc1csc2sc(CC)cc12)C(=O)[O-] ZINC000864148507 1137217105 /nfs/dbraw/zinc/21/71/05/1137217105.db2.gz IAQCJKMOPFXCOU-SNVBAGLBSA-N -1 0 339.482 3.685 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)C2([C@H]3CCCCO3)CCC2)c1 ZINC000864149579 1137217122 /nfs/dbraw/zinc/21/71/22/1137217122.db2.gz TUXRYHDDCDFNNH-CZUORRHYSA-N -1 0 331.412 3.553 20 0 EHADRM CSCCCCCCC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000864149769 1137217165 /nfs/dbraw/zinc/21/71/65/1137217165.db2.gz NYHATWDNBOERFD-LJQANCHMSA-N -1 0 349.496 3.555 20 0 EHADRM CC(C)CN(Cc1ccccc1F)C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000864159708 1137217666 /nfs/dbraw/zinc/21/76/66/1137217666.db2.gz ZITLCJUYWMQAAE-FPLPWBNLSA-N -1 0 345.370 3.815 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)CC1 ZINC000864175052 1137217930 /nfs/dbraw/zinc/21/79/30/1137217930.db2.gz MYKVDDQPUAHZGS-DWKQHGKHSA-N -1 0 341.451 3.530 20 0 EHADRM Cc1ccc([C@@H](C)N(C)C(=O)/C=C\c2cc(C(=O)[O-])co2)c(C)c1 ZINC000864178378 1137218141 /nfs/dbraw/zinc/21/81/41/1137218141.db2.gz ZAHDJIWJRHUKGH-IQCBXXCUSA-N -1 0 327.380 3.827 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N2CCCC[C@H]2c2ccc(F)cc2)o1 ZINC000864180664 1137218185 /nfs/dbraw/zinc/21/81/85/1137218185.db2.gz XVLCIJJZAZSMOM-SOGBHIHOSA-N -1 0 343.354 3.884 20 0 EHADRM O=C([O-])c1coc(/C=C/C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)c1 ZINC000864180420 1137218212 /nfs/dbraw/zinc/21/82/12/1137218212.db2.gz QXFAVUXUYSTTDT-KBOKABMXSA-N -1 0 343.354 3.884 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NCc2nc(C(C)(C)C)cs2)cc1 ZINC000864506175 1137230572 /nfs/dbraw/zinc/23/05/72/1137230572.db2.gz INHZEUQATGIALZ-CQSZACIVSA-N -1 0 348.468 3.755 20 0 EHADRM O=C([O-])[C@H]1CCCCN1C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC000864584852 1137235555 /nfs/dbraw/zinc/23/55/55/1137235555.db2.gz YVAMPXLZVCQWTD-LLVKDONJSA-N -1 0 348.346 3.770 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)Nc1ccc(F)c(C(F)F)c1 ZINC000864584217 1137235605 /nfs/dbraw/zinc/23/56/05/1137235605.db2.gz DBBXLTMIMUYLHA-LBPRGKRZSA-N -1 0 332.322 3.726 20 0 EHADRM Cc1ccc(-c2ccccc2NC(=O)N(C)C[C@@H](C)C(=O)[O-])s1 ZINC000864606503 1137236452 /nfs/dbraw/zinc/23/64/52/1137236452.db2.gz DIHAPQAHBGXFTB-LLVKDONJSA-N -1 0 332.425 3.908 20 0 EHADRM O=C([O-])CCCOc1ccccc1-c1ccc(C2(O)CCC2)cc1 ZINC000864612216 1137236611 /nfs/dbraw/zinc/23/66/11/1137236611.db2.gz KWAXDVVJNPBMPX-UHFFFAOYSA-N -1 0 326.392 3.969 20 0 EHADRM O=C(N[C@H]1C[C@@H]1c1cccc(F)c1)c1ccc2[n-]c(=S)oc2c1 ZINC000120306168 1137253963 /nfs/dbraw/zinc/25/39/63/1137253963.db2.gz YBESKVJONOLILF-OCCSQVGLSA-N -1 0 328.368 3.542 20 0 EHADRM O=C(C=CC1CCCCCC1)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000846095814 1137331765 /nfs/dbraw/zinc/33/17/65/1137331765.db2.gz JZMNLIGDZHKTDE-KHPPLWFESA-N -1 0 326.400 3.642 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1C[C@H]1C1CCCC1)c1cccc(Cl)c1 ZINC000846117444 1137333954 /nfs/dbraw/zinc/33/39/54/1137333954.db2.gz PYTCCOLOCSKWJY-XHSDSOJGSA-N -1 0 335.831 3.798 20 0 EHADRM CC(C)[N@H+](CCOc1ccc(/C=C\C(=O)[O-])cc1)Cc1ccco1 ZINC000846239524 1137342863 /nfs/dbraw/zinc/34/28/63/1137342863.db2.gz QTHRIPZUGDCVCY-YFHOEESVSA-N -1 0 329.396 3.667 20 0 EHADRM O=C(NCCC[C@H]1CC1(Cl)Cl)c1cc(F)c(F)c([O-])c1F ZINC000846589003 1137358027 /nfs/dbraw/zinc/35/80/27/1137358027.db2.gz VOAWMNFRWDFXFL-LURJTMIESA-N -1 0 342.144 3.513 20 0 EHADRM CCOC(=O)/C(=C\c1cc(C(=O)[O-])c(C)cc1C)c1ncccc1C ZINC000794951164 1137376706 /nfs/dbraw/zinc/37/67/06/1137376706.db2.gz XIOMRZUIFPXKPC-BOPFTXTBSA-N -1 0 339.391 3.809 20 0 EHADRM CC(C)c1ccc(CCCNC(=O)c2cc(F)cc3n[nH]nc32)cc1 ZINC001146292272 1137388429 /nfs/dbraw/zinc/38/84/29/1137388429.db2.gz WQCANXWSEKUBNY-UHFFFAOYSA-N -1 0 340.402 3.583 20 0 EHADRM Cc1ccc(CO)cc1NC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001148806546 1137435489 /nfs/dbraw/zinc/43/54/89/1137435489.db2.gz XJUQBPPZCSJDGW-UHFFFAOYSA-N -1 0 326.179 3.752 20 0 EHADRM C[C@H](C1CC1)N(C(=O)c1n[n-]c2ccccc2c1=O)c1ccccc1 ZINC000869881011 1137470324 /nfs/dbraw/zinc/47/03/24/1137470324.db2.gz WZZHQOWWVHEROW-CYBMUJFWSA-N -1 0 333.391 3.781 20 0 EHADRM Cc1cccc(NC(=S)[N-]c2ccccc2SCC(N)=O)c1C ZINC000018164807 1137489758 /nfs/dbraw/zinc/48/97/58/1137489758.db2.gz GOYGXETUXHXYBF-UHFFFAOYSA-N -1 0 345.493 3.690 20 0 EHADRM COC(=O)c1cc(C)c(F)cc1Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203334478 1137494214 /nfs/dbraw/zinc/49/42/14/1137494214.db2.gz UUIYBRMZGDJOEY-UHFFFAOYSA-N -1 0 339.269 3.641 20 0 EHADRM CC(C)Oc1cccc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)n1 ZINC000123412598 1137516697 /nfs/dbraw/zinc/51/66/97/1137516697.db2.gz YXROHSXHPSTXAN-UHFFFAOYSA-N -1 0 329.381 3.551 20 0 EHADRM Cc1ccoc1CN(C)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000795152592 1137517470 /nfs/dbraw/zinc/51/74/70/1137517470.db2.gz URDLIBKREAZMEV-UHFFFAOYSA-N -1 0 333.771 3.685 20 0 EHADRM O=C(COc1ccc2ccccc2c1)[N-]OCCCC(F)(F)F ZINC000871209881 1137527090 /nfs/dbraw/zinc/52/70/90/1137527090.db2.gz JRYPCSVLBCZHFB-UHFFFAOYSA-N -1 0 327.302 3.609 20 0 EHADRM CSc1ccc(O[C@H](C)C(=O)[N-]OCCCC(F)(F)F)cc1 ZINC000871212899 1137527459 /nfs/dbraw/zinc/52/74/59/1137527459.db2.gz IEGOFPZXLIPXRQ-SNVBAGLBSA-N -1 0 337.363 3.566 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)[O-])cc1-c1ccsc1 ZINC000871613802 1137549225 /nfs/dbraw/zinc/54/92/25/1137549225.db2.gz AJXYIYTZVKZRTJ-OAHLLOKOSA-N -1 0 330.409 3.804 20 0 EHADRM CC(C)[C@@H]1CCc2[n-]n(-c3cccc(Br)n3)c(=O)c2C1 ZINC000871951178 1137563543 /nfs/dbraw/zinc/56/35/43/1137563543.db2.gz LBBPAGJYZYZJBV-GHMZBOCLSA-N -1 0 336.233 3.619 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(C3CC3)cc2)noc1C(C)(C)C ZINC000872008517 1137564332 /nfs/dbraw/zinc/56/43/32/1137564332.db2.gz LTYGURCNWNDZPM-UHFFFAOYSA-N -1 0 334.441 3.959 20 0 EHADRM Cn1c2ccccc2nc1[C@H]1CCCN1Cc1cc(C(=O)[O-])cs1 ZINC000872156902 1137574328 /nfs/dbraw/zinc/57/43/28/1137574328.db2.gz JJUGANCAMFPVIG-MRXNPFEDSA-N -1 0 341.436 3.670 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cnoc2C2CC2)cc1F ZINC000872373336 1137578994 /nfs/dbraw/zinc/57/89/94/1137578994.db2.gz HAYKJEWKZSEVMY-UHFFFAOYSA-N -1 0 338.404 3.789 20 0 EHADRM CCc1ncc(S(=O)(=O)[N-]c2ccc(F)c(C(F)F)c2)s1 ZINC000872402362 1137579319 /nfs/dbraw/zinc/57/93/19/1137579319.db2.gz GGHMDJXMBBBKMQ-UHFFFAOYSA-N -1 0 336.360 3.583 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1sccc1C(F)F ZINC000872695636 1137582871 /nfs/dbraw/zinc/58/28/71/1137582871.db2.gz IKWWESZLHHHBAC-IEBDPFPHSA-N -1 0 329.368 3.544 20 0 EHADRM Cc1occ(C(F)(F)F)c1C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000872718564 1137583107 /nfs/dbraw/zinc/58/31/07/1137583107.db2.gz WVEUSVDZOPEOJV-SNVBAGLBSA-N -1 0 347.333 3.570 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCCCC[C@H]1/C=C\c1cccs1 ZINC000872720823 1137583195 /nfs/dbraw/zinc/58/31/95/1137583195.db2.gz AUPRNQINXMYEMZ-YEZCICINSA-N -1 0 333.453 3.643 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)Nc1ccccc1Cc1ccccc1 ZINC000872832058 1137585211 /nfs/dbraw/zinc/58/52/11/1137585211.db2.gz ZALSLBIPIMCPJI-UHFFFAOYSA-N -1 0 343.448 3.812 20 0 EHADRM Cc1cc(NC(=O)C(C)(C)SCC(=O)[O-])cc(C(F)(F)F)c1 ZINC000872859842 1137585659 /nfs/dbraw/zinc/58/56/59/1137585659.db2.gz IEHJIJIUDBEJDK-UHFFFAOYSA-N -1 0 335.347 3.549 20 0 EHADRM O=C([O-])C1(CC(=O)NCCc2c[nH]c3ccc(Cl)cc23)CCCC1 ZINC000872891294 1137586210 /nfs/dbraw/zinc/58/62/10/1137586210.db2.gz NOJFBWAKOLNVPG-UHFFFAOYSA-N -1 0 348.830 3.515 20 0 EHADRM CCC(CC)[C@H](NC(=O)C(C)(C)SCC(=O)[O-])c1cccs1 ZINC000872909265 1137586375 /nfs/dbraw/zinc/58/63/75/1137586375.db2.gz IPQQNPIKMMEHPV-AWEZNQCLSA-N -1 0 343.514 3.938 20 0 EHADRM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(C)(C)SCC(=O)[O-] ZINC000872918742 1137586551 /nfs/dbraw/zinc/58/65/51/1137586551.db2.gz VMLMCJDODYCOQN-CVEARBPZSA-N -1 0 349.496 3.768 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])C(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1 ZINC000872920222 1137586651 /nfs/dbraw/zinc/58/66/51/1137586651.db2.gz UDCSEQIOAVGVSC-SFHVURJKSA-N -1 0 329.400 3.660 20 0 EHADRM CC(C)C[C@@](C)(CC(=O)[O-])C(=O)N[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000872998796 1137587747 /nfs/dbraw/zinc/58/77/47/1137587747.db2.gz MSUKSDMWNDQBJR-JMSVASOKSA-N -1 0 335.366 3.527 20 0 EHADRM CC(C)[C@H]1CCCN1C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000874190694 1137611494 /nfs/dbraw/zinc/61/14/94/1137611494.db2.gz HXOFZJSJLSJUED-MRXNPFEDSA-N -1 0 327.380 3.725 20 0 EHADRM O=Cc1ccc(-c2cccc(-c3nc(CC(=O)[O-])cs3)c2)s1 ZINC000874971607 1137627384 /nfs/dbraw/zinc/62/73/84/1137627384.db2.gz OFZZSGNBECKOGT-UHFFFAOYSA-N -1 0 329.402 3.978 20 0 EHADRM COCCCOc1cccc(NC(=O)c2ccc(C)c(C)c2O)c1 ZINC001137145615 1137751750 /nfs/dbraw/zinc/75/17/50/1137751750.db2.gz JRFKGQYUDUAOSA-UHFFFAOYSA-N -1 0 329.396 3.677 20 0 EHADRM CC(C)c1cnc(SCC(=O)[N-]OCc2ccccc2)n1C(C)C ZINC000129003234 1137807533 /nfs/dbraw/zinc/80/75/33/1137807533.db2.gz IGLQYPXWICQRLM-UHFFFAOYSA-N -1 0 347.484 3.928 20 0 EHADRM Cc1c(S(=O)(=O)[N-]c2ncsc2C2CC2)c2ccccc2n1C ZINC000882772791 1137833889 /nfs/dbraw/zinc/83/38/89/1137833889.db2.gz MEFKAQGWCSNOTC-UHFFFAOYSA-N -1 0 347.465 3.621 20 0 EHADRM Cc1cccc(S([O-])=CC(=O)N[C@H](C)c2ccc(C)c(C)c2)c1 ZINC000108102497 1137888645 /nfs/dbraw/zinc/88/86/45/1137888645.db2.gz SARYYNPTVDIPFE-MWTRTKDXSA-N -1 0 329.465 3.597 20 0 EHADRM CCCc1nc(=NC(=O)N2C[C@H](C)C[C@H]2c2cccc(F)c2)s[n-]1 ZINC000331627470 1137915009 /nfs/dbraw/zinc/91/50/09/1137915009.db2.gz YVHMUANHDQHFOR-RISCZKNCSA-N -1 0 348.447 3.667 20 0 EHADRM C[C@H]1CN(C(=O)N=c2[n-]nc(-c3ccsc3)s2)CC(C)(C)C1 ZINC000331907398 1137925286 /nfs/dbraw/zinc/92/52/86/1137925286.db2.gz HRBGYPIFDVIUHJ-SNVBAGLBSA-N -1 0 336.486 3.588 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)[C@@H]2CCCC(F)(F)C2)s[n-]1 ZINC000332004308 1137928327 /nfs/dbraw/zinc/92/83/27/1137928327.db2.gz YCXUMCUQDSCCJM-SECBINFHSA-N -1 0 343.424 3.761 20 0 EHADRM CC(=O)c1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)cc1O ZINC000332380670 1137942190 /nfs/dbraw/zinc/94/21/90/1137942190.db2.gz GNLWAHWPYTWFIL-KBXCAEBGSA-N -1 0 337.419 3.861 20 0 EHADRM C[C@H]1CCCN(C(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)C1 ZINC000332718157 1137951846 /nfs/dbraw/zinc/95/18/46/1137951846.db2.gz WNKYTHLKZJGHQJ-JTQLQIEISA-N -1 0 336.848 3.544 20 0 EHADRM O=C(NCCc1ccc(Cl)nc1)c1c([O-])cc(Cl)cc1Cl ZINC000134303729 1137953419 /nfs/dbraw/zinc/95/34/19/1137953419.db2.gz DEPJPRAOHPSSPB-UHFFFAOYSA-N -1 0 345.613 3.720 20 0 EHADRM Cc1ccc(NC(=O)c2c([O-])cccc2F)c(OC[C@H]2CCCO2)c1 ZINC000121005175 1137954308 /nfs/dbraw/zinc/95/43/08/1137954308.db2.gz MQULWAGKKHTTJC-CYBMUJFWSA-N -1 0 345.370 3.650 20 0 EHADRM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)N=c2ccc(C3CC3)n[n-]2)C1 ZINC000333237635 1137959038 /nfs/dbraw/zinc/95/90/38/1137959038.db2.gz VWEJBEYVJGFGJS-SJKOYZFVSA-N -1 0 340.402 3.530 20 0 EHADRM O=C(OCc1nnc(-c2ccccc2O)o1)C1[C@@H]2CCCCCC[C@@H]12 ZINC000884585802 1137963819 /nfs/dbraw/zinc/96/38/19/1137963819.db2.gz USLRUOJCSZHYAE-CHWSQXEVSA-N -1 0 342.395 3.702 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]c1ccc(SC(F)F)nc1 ZINC000135248951 1137964935 /nfs/dbraw/zinc/96/49/35/1137964935.db2.gz GFRJYKFOVVBRPR-UHFFFAOYSA-N -1 0 330.381 3.506 20 0 EHADRM CC1(C)C[C@H](O)c2cccc(NC(=O)c3ccc([O-])c(Cl)c3)c2O1 ZINC000885651095 1138014469 /nfs/dbraw/zinc/01/44/69/1138014469.db2.gz LOOCVEIHOANAIR-HNNXBMFYSA-N -1 0 347.798 3.892 20 0 EHADRM CCOC[C@H]1CCCN(C(=O)c2c([O-])cc(Cl)cc2Cl)C1 ZINC000080028078 1138160221 /nfs/dbraw/zinc/16/02/21/1138160221.db2.gz ZHYJCIQACNRKCQ-JTQLQIEISA-N -1 0 332.227 3.588 20 0 EHADRM C[C@@H](O)C[C@H]1CCCN1C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000093241706 1138235351 /nfs/dbraw/zinc/23/53/51/1138235351.db2.gz XPZZNTDJKADHGT-VXGBXAGGSA-N -1 0 333.815 3.574 20 0 EHADRM CCCOc1ccc(NC(=O)c2cc(NC(C)=O)ccc2O)c(C)c1 ZINC000121927746 1138252417 /nfs/dbraw/zinc/25/24/17/1138252417.db2.gz GZYZJEHDKGNBHK-UHFFFAOYSA-N -1 0 342.395 3.700 20 0 EHADRM C[C@H](NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-])c1cc2ccccc2s1 ZINC000887286975 1138256314 /nfs/dbraw/zinc/25/63/14/1138256314.db2.gz GASGDPIDKFFKHZ-QALIKGEPSA-N -1 0 341.432 3.601 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H]1C(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1 ZINC000887316312 1138262984 /nfs/dbraw/zinc/26/29/84/1138262984.db2.gz NXNRFMNSXNFJPB-UTUOFQBUSA-N -1 0 333.281 3.699 20 0 EHADRM CC(C)c1cc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)ccc1O ZINC000887317311 1138263741 /nfs/dbraw/zinc/26/37/41/1138263741.db2.gz GZBMMKDRDRDDKE-MRXNPFEDSA-N -1 0 327.380 3.713 20 0 EHADRM O=C([O-])c1c(F)cc(Nc2ccc(O)cc2Br)cc1F ZINC001203329631 1138275321 /nfs/dbraw/zinc/27/53/21/1138275321.db2.gz GMOOYORGJIPQIK-UHFFFAOYSA-N -1 0 344.111 3.875 20 0 EHADRM CC[C@@H](C)c1cccc(NC(=O)N[C@@H](CC2CCOCC2)C(=O)[O-])c1 ZINC000887381006 1138293012 /nfs/dbraw/zinc/29/30/12/1138293012.db2.gz CVIXKBFXSYKFEZ-DYVFJYSZSA-N -1 0 348.443 3.592 20 0 EHADRM CC(C)(CNC(=O)c1cc2sccc2c(O)c1)C1CCOCC1 ZINC000887388465 1138298687 /nfs/dbraw/zinc/29/86/87/1138298687.db2.gz JPTKINJPVGFGDM-UHFFFAOYSA-N -1 0 333.453 3.790 20 0 EHADRM O=c1[n-]c([C@H]2CCCCN2Cc2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000333750024 1138328481 /nfs/dbraw/zinc/32/84/81/1138328481.db2.gz XNXDIYNIDJILBR-GFCCVEGCSA-N -1 0 327.215 3.544 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N=c1[n-]nc(C(F)F)s1 ZINC000336903118 1138424183 /nfs/dbraw/zinc/42/41/83/1138424183.db2.gz YAGVFDPRCHCUBI-UHFFFAOYSA-N -1 0 343.742 3.858 20 0 EHADRM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cnccc3C)c2)n1 ZINC000337130292 1138474351 /nfs/dbraw/zinc/47/43/51/1138474351.db2.gz IXPXPEZZCQXAMY-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM CCSc1ccc([C@@H](C)NC(=O)c2cc(F)cc3n[nH]nc32)cc1 ZINC000337493758 1138585629 /nfs/dbraw/zinc/58/56/29/1138585629.db2.gz PMAQFJMBOZVYST-SNVBAGLBSA-N -1 0 344.415 3.700 20 0 EHADRM CC(C)CN(C)c1ccc(C(=O)N(CC(=O)[O-])c2ccccc2)cc1 ZINC000337750455 1138658533 /nfs/dbraw/zinc/65/85/33/1138658533.db2.gz PVFPMNWDLPACPW-UHFFFAOYSA-N -1 0 340.423 3.510 20 0 EHADRM O=C([O-])CN(C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl)c1ccccc1 ZINC000337751448 1138659020 /nfs/dbraw/zinc/65/90/20/1138659020.db2.gz QFTGRGLXYCGVLI-QWHCGFSZSA-N -1 0 347.773 3.700 20 0 EHADRM CSc1cccc(S(=O)(=O)[N-]c2nc3c(s2)CCCC3)c1 ZINC000337779585 1138666176 /nfs/dbraw/zinc/66/61/76/1138666176.db2.gz SATFNGSNCHASHU-UHFFFAOYSA-N -1 0 340.495 3.545 20 0 EHADRM Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000134198174 1138677223 /nfs/dbraw/zinc/67/72/23/1138677223.db2.gz LRDIKFFFNDCVNO-ZDUSSCGKSA-N -1 0 337.782 3.502 20 0 EHADRM CO[C@H](C)c1nc(=N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)s[n-]1 ZINC000337907200 1138695844 /nfs/dbraw/zinc/69/58/44/1138695844.db2.gz DKZUMKQYGNYPFJ-HLUHBDAQSA-N -1 0 343.374 3.654 20 0 EHADRM CCC[C@H](NC(=O)N=c1[n-]nc(-c2ccco2)s1)c1ccccc1 ZINC000337965991 1138711066 /nfs/dbraw/zinc/71/10/66/1138711066.db2.gz RRUSWSZBIFUFNG-ZDUSSCGKSA-N -1 0 342.424 3.883 20 0 EHADRM CC[C@H](NC(=O)N=c1[n-]nc(-c2ccco2)s1)c1ccc(C)cc1 ZINC000337967549 1138711878 /nfs/dbraw/zinc/71/18/78/1138711878.db2.gz GWGXDFYYCGBRNU-ZDUSSCGKSA-N -1 0 342.424 3.801 20 0 EHADRM CCc1csc(CC(=O)Nc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000338178712 1138776678 /nfs/dbraw/zinc/77/66/78/1138776678.db2.gz OKMIVTNVODJUNH-UHFFFAOYSA-N -1 0 331.224 3.899 20 0 EHADRM COc1cccc([N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)c1 ZINC000348474863 1138822902 /nfs/dbraw/zinc/82/29/02/1138822902.db2.gz MSUDEGKJVVYREZ-UHFFFAOYSA-N -1 0 335.356 3.690 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)CCN2Cc2nc(=O)c3sccc3[n-]2)o1 ZINC000173997398 1139392608 /nfs/dbraw/zinc/39/26/08/1139392608.db2.gz CRQUKSOUGQFPPI-FZMZJTMJSA-N -1 0 343.452 3.859 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)o1 ZINC000180027736 1139803389 /nfs/dbraw/zinc/80/33/89/1139803389.db2.gz CSLPXJMTTGZOJG-UKMLZYKCSA-N -1 0 333.428 3.779 20 0 EHADRM CCS[C@@H]1CCC[C@H](NC(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000180122540 1139811300 /nfs/dbraw/zinc/81/13/00/1139811300.db2.gz GCUZPBHCZIGFSK-DTWKUNHWSA-N -1 0 333.375 3.604 20 0 EHADRM CC(C)N(C(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C1CCCC1 ZINC000181040520 1139880510 /nfs/dbraw/zinc/88/05/10/1139880510.db2.gz RRTCVGKQDSGVHW-UHFFFAOYSA-N -1 0 331.391 3.510 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)[C@H](C)c1cccc(OC)c1)C(=O)[O-] ZINC000777371797 1139898332 /nfs/dbraw/zinc/89/83/32/1139898332.db2.gz DBDUQRVOQLOGBE-AUUYWEPGSA-N -1 0 335.444 3.729 20 0 EHADRM CCC(CC)[C@H]1C[C@@H](NC(=O)c2cc(F)c(F)c([O-])c2F)CCO1 ZINC000184483112 1140104831 /nfs/dbraw/zinc/10/48/31/1140104831.db2.gz AHOZXHDHFWMACF-GXFFZTMASA-N -1 0 345.361 3.523 20 0 EHADRM COC(=O)[C@@H]1CCC[C@H](C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC000185470127 1140151001 /nfs/dbraw/zinc/15/10/01/1140151001.db2.gz JDSNQNUHXHBATL-DTWKUNHWSA-N -1 0 346.210 3.617 20 0 EHADRM CC(C)c1cccc2c1CCN(Cc1nc(=O)c3sccc3[n-]1)C2 ZINC000191891617 1140491894 /nfs/dbraw/zinc/49/18/94/1140491894.db2.gz DGLXDXKMSMDSGF-UHFFFAOYSA-N -1 0 339.464 3.666 20 0 EHADRM Cc1cc(=O)[nH]c([C@@H](C)N[C@H](C)c2ccc(OCC3CC3)c(F)c2)n1 ZINC000192763037 1140549284 /nfs/dbraw/zinc/54/92/84/1140549284.db2.gz GJKWBVAMDZZNHE-CHWSQXEVSA-N -1 0 345.418 3.830 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(F)c(C)c2)cnn1C1CCCC1 ZINC000194229706 1140602782 /nfs/dbraw/zinc/60/27/82/1140602782.db2.gz UACAJQBRRYACCS-UHFFFAOYSA-N -1 0 337.420 3.555 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)C3CCC(C(=O)[O-])CC3)cc2)cs1 ZINC000194385944 1140606847 /nfs/dbraw/zinc/60/68/47/1140606847.db2.gz AWODRZDNSXEZTK-UHFFFAOYSA-N -1 0 344.436 3.948 20 0 EHADRM Cc1ccc(C)c(S([O-])=CC(=O)N[C@@H](c2ccccc2)C2CC2)c1 ZINC000194495517 1140611985 /nfs/dbraw/zinc/61/19/85/1140611985.db2.gz SKYIVQMJIIXGIV-GBXCKJPGSA-N -1 0 341.476 3.679 20 0 EHADRM CC[C@H](C)[C@@H]1CCCCN1C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000267485433 1140796863 /nfs/dbraw/zinc/79/68/63/1140796863.db2.gz ZTQDTAUVYWHJON-NHYWBVRUSA-N -1 0 345.468 3.665 20 0 EHADRM CC(=O)c1ccc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)cc1C ZINC000270420844 1141221182 /nfs/dbraw/zinc/22/11/82/1141221182.db2.gz LAPPFDRJYPPCRU-FQEVSTJZSA-N -1 0 339.391 3.569 20 0 EHADRM O=C(Nc1cc(Br)cc(Cl)c1[O-])[C@H]1CCCS1 ZINC000270673907 1141255100 /nfs/dbraw/zinc/25/51/00/1141255100.db2.gz RXCDHKNAIKZRAW-SECBINFHSA-N -1 0 336.638 3.642 20 0 EHADRM COc1cccc(/C=C/c2nc(C(=O)[O-])c(C)s2)c1OC(F)F ZINC000339113848 1141501006 /nfs/dbraw/zinc/50/10/06/1141501006.db2.gz JIFFZXFTFFRZNP-VOTSOKGWSA-N -1 0 341.335 3.930 20 0 EHADRM O=C(N[C@H]1CCc2c1cccc2Cl)c1s[n-]c(=O)c1Cl ZINC000339253296 1141540923 /nfs/dbraw/zinc/54/09/23/1141540923.db2.gz KJDDMWCSYKGQIR-VIFPVBQESA-N -1 0 329.208 3.573 20 0 EHADRM O=C(N[C@@H]1CCC[C@H]1Cc1ccccc1)c1s[n-]c(=O)c1Cl ZINC000283042839 1141544016 /nfs/dbraw/zinc/54/40/16/1141544016.db2.gz LNKBTANHNZODML-NWDGAFQWSA-N -1 0 336.844 3.643 20 0 EHADRM CC(C)N(Cc1cccc(F)c1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000348604517 1141555986 /nfs/dbraw/zinc/55/59/86/1141555986.db2.gz ZESZAPLMUFVHLO-UHFFFAOYSA-N -1 0 341.304 3.999 20 0 EHADRM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2s[n-]c(=O)c2Cl)s1 ZINC000283155907 1141564200 /nfs/dbraw/zinc/56/42/00/1141564200.db2.gz SZGDLMHAVOQZPF-SSDOTTSWSA-N -1 0 345.877 3.663 20 0 EHADRM CCSc1cccc(CN=c2[n-]nc(Cc3ccsc3)o2)c1 ZINC000349103668 1141639222 /nfs/dbraw/zinc/63/92/22/1141639222.db2.gz PSLPCXBDGJMSQZ-UHFFFAOYSA-N -1 0 331.466 3.868 20 0 EHADRM Cc1cc(OCC(=O)Nc2cccc(C(=O)[O-])c2)ccc1C(C)C ZINC000003818791 210076571 /nfs/dbraw/zinc/07/65/71/210076571.db2.gz VBRVPZRQZUJCNS-UHFFFAOYSA-N -1 0 327.380 3.834 20 0 EHADRM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(C)cc1Cl ZINC000025365822 212476759 /nfs/dbraw/zinc/47/67/59/212476759.db2.gz QRBITVMCFLFMSF-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)c1 ZINC000119786307 221399698 /nfs/dbraw/zinc/39/96/98/221399698.db2.gz HZTVNHLYONQHIV-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)Nc2cccc(SC(F)F)c2)C1 ZINC000819365177 597119621 /nfs/dbraw/zinc/11/96/21/597119621.db2.gz WSSVZXXPYNNSRB-SNVBAGLBSA-N -1 0 344.383 3.720 20 0 EHADRM CCOc1cc(CNc2cccc(CC(=O)[O-])c2)cc(Cl)c1OC ZINC000414642643 597137967 /nfs/dbraw/zinc/13/79/67/597137967.db2.gz VYIACROMMNKTPE-UHFFFAOYSA-N -1 0 349.814 3.987 20 0 EHADRM C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737766190 597188154 /nfs/dbraw/zinc/18/81/54/597188154.db2.gz PEHBKDKEIUOMCD-LBPRGKRZSA-N -1 0 342.370 3.604 20 0 EHADRM Cc1ccccc1CN(C(=O)Nc1cccc(CC(=O)[O-])c1)C1CC1 ZINC000738325154 597196655 /nfs/dbraw/zinc/19/66/55/597196655.db2.gz NVOJKTNGEYSBBS-UHFFFAOYSA-N -1 0 338.407 3.819 20 0 EHADRM Cc1sc(-c2ccco2)nc1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000237719859 597266499 /nfs/dbraw/zinc/26/64/99/597266499.db2.gz YOLBNLXITANHJB-UHFFFAOYSA-N -1 0 342.376 3.591 20 0 EHADRM C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)NCCCC(=O)[O-] ZINC000263463607 597307559 /nfs/dbraw/zinc/30/75/59/597307559.db2.gz JNFCODSVWNQLJR-INIZCTEOSA-N -1 0 340.423 3.824 20 0 EHADRM CC[C@@H](CNC(=O)Nc1ccccc1CC(=O)[O-])c1ccccc1 ZINC000818140558 597321352 /nfs/dbraw/zinc/32/13/52/597321352.db2.gz IIZIKMALJALYKG-AWEZNQCLSA-N -1 0 326.396 3.629 20 0 EHADRM Cc1cc([C@H](C)NC(=O)Nc2ccccc2CC(=O)[O-])c(C)s1 ZINC000320135791 597327002 /nfs/dbraw/zinc/32/70/02/597327002.db2.gz LBIMAKDVWGGERB-NSHDSACASA-N -1 0 332.425 3.875 20 0 EHADRM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818071154 597333479 /nfs/dbraw/zinc/33/34/79/597333479.db2.gz IAEOCWOHZHJLEW-NSHDSACASA-N -1 0 348.349 3.817 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)Nc1ccccc1CC(=O)[O-])C1CC1 ZINC000818958978 597334892 /nfs/dbraw/zinc/33/48/92/597334892.db2.gz UZFUSIQULGJHRJ-IBGZPJMESA-N -1 0 338.407 3.895 20 0 EHADRM Cc1ccc([C@@H](C)CNC(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000818879020 597338667 /nfs/dbraw/zinc/33/86/67/597338667.db2.gz HLGMIORNUWKUKI-AWEZNQCLSA-N -1 0 326.396 3.547 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)c2ccc(CCC(F)(F)F)cc2)C1 ZINC000556145668 597377644 /nfs/dbraw/zinc/37/76/44/597377644.db2.gz SUKNOCLSNVUFQN-CYBMUJFWSA-N -1 0 343.345 3.508 20 0 EHADRM Cc1coc(-c2ccc(C)c(NC(=O)N[C@H](CC(C)C)C(=O)[O-])c2)n1 ZINC000818976696 597511824 /nfs/dbraw/zinc/51/18/24/597511824.db2.gz ALOJSBONVIHPRA-OAHLLOKOSA-N -1 0 345.399 3.579 20 0 EHADRM CCCC(=O)Nc1cccc(NC(=O)c2ccc(C(=O)[O-])cc2)c1C ZINC000581087394 598155022 /nfs/dbraw/zinc/15/50/22/598155022.db2.gz KWNHMJYCDLQTQV-UHFFFAOYSA-N -1 0 340.379 3.684 20 0 EHADRM Cc1cc(C)c(NC(=O)/C(C#N)=C/c2cccc(C(=O)[O-])c2)c(C)c1 ZINC000158293923 598200781 /nfs/dbraw/zinc/20/07/81/598200781.db2.gz CPTYEPNHHIBEJW-LICLKQGHSA-N -1 0 334.375 3.856 20 0 EHADRM O=C([O-])c1cccc(CNc2ccc(-c3nnc4n3CCCC4)cc2)c1 ZINC000263500531 598204875 /nfs/dbraw/zinc/20/48/75/598204875.db2.gz VGZXMIBPOMMDFB-UHFFFAOYSA-N -1 0 348.406 3.592 20 0 EHADRM C[C@H](CC(=O)OCc1ccc(-c2nn[nH]n2)cc1)C1CCCCC1 ZINC000735977710 598289128 /nfs/dbraw/zinc/28/91/28/598289128.db2.gz QZERZESJUREVRH-CYBMUJFWSA-N -1 0 328.416 3.516 20 0 EHADRM C[C@@H](NC(=O)NC1CCC(C(=O)[O-])CC1)c1cc2ccccc2s1 ZINC000263429510 599702131 /nfs/dbraw/zinc/70/21/31/599702131.db2.gz YNEUDXYCZCWLDA-LKSINWNRSA-N -1 0 346.452 3.905 20 0 EHADRM O=C([O-])NCCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000739947264 599708289 /nfs/dbraw/zinc/70/82/89/599708289.db2.gz DKEDAHOMEHZZLU-UHFFFAOYSA-N -1 0 334.759 3.729 20 0 EHADRM CCc1cccc2c1OCC[C@H]2Nc1nc(Cl)c(C(=O)[O-])s1 ZINC000737271576 599708514 /nfs/dbraw/zinc/70/85/14/599708514.db2.gz BTVFELKCRSLNNM-SNVBAGLBSA-N -1 0 338.816 3.993 20 0 EHADRM C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCCNC(=O)[O-] ZINC000736724472 599717943 /nfs/dbraw/zinc/71/79/43/599717943.db2.gz MAUCNKXEQZNSSX-INIZCTEOSA-N -1 0 340.423 3.824 20 0 EHADRM Cc1cccc(OCCCCC(=O)Nc2cccc(C(=O)[O-])c2O)c1 ZINC000738738159 599721996 /nfs/dbraw/zinc/72/19/96/599721996.db2.gz VEBCHYOVOKGPNZ-UHFFFAOYSA-N -1 0 343.379 3.587 20 0 EHADRM O=C([O-])NCCC(=O)N(Cc1ccc(Cl)cc1)c1ccccc1 ZINC000739939753 599726353 /nfs/dbraw/zinc/72/63/53/599726353.db2.gz LTSMQEDGCKGPRF-UHFFFAOYSA-N -1 0 332.787 3.531 20 0 EHADRM C[C@H](NC(=O)NCCCC(=O)[O-])c1ccc(Oc2ccccc2)cc1 ZINC000262887911 599737105 /nfs/dbraw/zinc/73/71/05/599737105.db2.gz BUDZCYFVKTVMRI-AWEZNQCLSA-N -1 0 342.395 3.704 20 0 EHADRM CCC[C@](C)(NC(=O)CCc1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000236803572 599739957 /nfs/dbraw/zinc/73/99/57/599739957.db2.gz YHQZCJFHOALJMN-FQEVSTJZSA-N -1 0 347.455 3.700 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000738483172 599744665 /nfs/dbraw/zinc/74/46/65/599744665.db2.gz SZTOPHWZRPELMR-UHFFFAOYSA-N -1 0 328.755 3.701 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000236972041 599745447 /nfs/dbraw/zinc/74/54/47/599745447.db2.gz URSXLXNHDVCSQO-SCLBCKFNSA-N -1 0 343.398 3.824 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000486205544 599748034 /nfs/dbraw/zinc/74/80/34/599748034.db2.gz SEAHGOORYBQVOD-LBPRGKRZSA-N -1 0 329.396 3.611 20 0 EHADRM CN(CCCC(=O)NCC1(c2ccccc2)CCCCCC1)C(=O)[O-] ZINC000737425969 599751212 /nfs/dbraw/zinc/75/12/12/599751212.db2.gz KMRSXZQQJRDLSF-UHFFFAOYSA-N -1 0 346.471 3.785 20 0 EHADRM Cc1ccccc1C1(CNC(=O)CCSCC(=O)[O-])CCCCC1 ZINC000738762126 599755143 /nfs/dbraw/zinc/75/51/43/599755143.db2.gz YCGCSIBCYZXZTM-UHFFFAOYSA-N -1 0 349.496 3.521 20 0 EHADRM COc1ccc([C@@H](NC(=O)CCCC2CCCCC2)C(=O)[O-])cc1 ZINC000575997144 599756226 /nfs/dbraw/zinc/75/62/26/599756226.db2.gz SVPJAVOCMRLSGX-GOSISDBHSA-N -1 0 333.428 3.688 20 0 EHADRM CC(C)N(Cc1ccccc1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000242721823 599757347 /nfs/dbraw/zinc/75/73/47/599757347.db2.gz DBVPKWGSPPMPOM-UHFFFAOYSA-N -1 0 326.396 3.756 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)C[C@@H](C)CC(C)C ZINC000738525565 599785764 /nfs/dbraw/zinc/78/57/64/599785764.db2.gz LRBRFCLGFIQUPE-GXTWGEPZSA-N -1 0 349.427 3.636 20 0 EHADRM CC[C@H](C)c1ccc(NC(=O)CN[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000736890668 599786340 /nfs/dbraw/zinc/78/63/40/599786340.db2.gz GGKVTFNMLYEBGX-LIRRHRJNSA-N -1 0 340.423 3.554 20 0 EHADRM Cc1cc(C)cc(OCCCOC(=O)c2ccccc2C(=O)[O-])c1 ZINC000738364110 599788439 /nfs/dbraw/zinc/78/84/39/599788439.db2.gz OADZLIRZQKPGSB-UHFFFAOYSA-N -1 0 328.364 3.628 20 0 EHADRM O=C([O-])CSCCC(=O)Oc1cccc(Oc2ccccc2)c1 ZINC000739857449 599798504 /nfs/dbraw/zinc/79/85/04/599798504.db2.gz JNBRTIOTGMFLDM-UHFFFAOYSA-N -1 0 332.377 3.592 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C=C2CCCC2)c(OCC(F)(F)F)c1 ZINC000739211335 599799889 /nfs/dbraw/zinc/79/98/89/599799889.db2.gz VBMDMNGBNDIAJK-UHFFFAOYSA-N -1 0 343.301 3.765 20 0 EHADRM O=C([O-])c1sccc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000037452068 599801293 /nfs/dbraw/zinc/80/12/93/599801293.db2.gz RREUDFMTARQUQJ-UHFFFAOYSA-N -1 0 346.191 3.771 20 0 EHADRM O=C([O-])c1coc(COc2ccccc2C(=O)Nc2ccccc2)c1 ZINC000740269689 599803160 /nfs/dbraw/zinc/80/31/60/599803160.db2.gz USNDRGQTJNLLDO-UHFFFAOYSA-N -1 0 337.331 3.809 20 0 EHADRM CC(C)[C@@H](NC(=O)[O-])C(=O)Oc1ccc2oc3ccccc3c2c1 ZINC000736384880 599807352 /nfs/dbraw/zinc/80/73/52/599807352.db2.gz KGIYJCJVMQUVTB-MRXNPFEDSA-N -1 0 327.336 3.784 20 0 EHADRM COc1ccc(C(=O)Oc2ccc(C(=O)[O-])cc2Cl)c(Cl)c1 ZINC000737946525 599809074 /nfs/dbraw/zinc/80/90/74/599809074.db2.gz BQRHVCRZAJBXIQ-UHFFFAOYSA-N -1 0 341.146 3.919 20 0 EHADRM CC(C)c1nc(C(=O)Oc2ccc(Cl)cc2C(=O)[O-])cs1 ZINC000736526367 599811006 /nfs/dbraw/zinc/81/10/06/599811006.db2.gz VZRMZYIFILFWDL-UHFFFAOYSA-N -1 0 325.773 3.837 20 0 EHADRM CC[C@@](C)(NC(=O)c1cc(C)c(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC000346027454 599811605 /nfs/dbraw/zinc/81/16/05/599811605.db2.gz OBMDGLKLGLTSNS-QGZVFWFLSA-N -1 0 335.400 3.846 20 0 EHADRM O=C([O-])c1cc(NC(=O)C[C@H]2CCCc3ccccc32)ccc1F ZINC000739220769 599812834 /nfs/dbraw/zinc/81/28/34/599812834.db2.gz CGCISHNDUUWTMN-CYBMUJFWSA-N -1 0 327.355 3.973 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)/C=C\Sc2ccccc2)c1 ZINC000737940611 599818728 /nfs/dbraw/zinc/81/87/28/599818728.db2.gz SWNVKRJZQLWKFU-KTKRTIGZSA-N -1 0 330.361 3.605 20 0 EHADRM C[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000325376451 599828282 /nfs/dbraw/zinc/82/82/82/599828282.db2.gz LYMRQMFQHPBXHT-LBPRGKRZSA-N -1 0 344.436 3.917 20 0 EHADRM Cc1cc(NC(=O)c2csc(-c3ccoc3)n2)ccc1C(=O)[O-] ZINC000237842935 599828295 /nfs/dbraw/zinc/82/82/95/599828295.db2.gz WJAOUEZPLLFRQA-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM CN(C(=O)CCc1ccc(OC(F)F)cc1)c1ccccc1C(=O)[O-] ZINC000737319872 599838800 /nfs/dbraw/zinc/83/88/00/599838800.db2.gz QVOIOALWGZGSLF-UHFFFAOYSA-N -1 0 349.333 3.582 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)CCSc1ccccc1F ZINC000390463099 599844869 /nfs/dbraw/zinc/84/48/69/599844869.db2.gz HIYQBCMKTKNWFQ-UHFFFAOYSA-N -1 0 337.347 3.784 20 0 EHADRM Cc1ccccc1C1(CNC(=O)[C@H](NC(=O)[O-])C(C)C)CCCCC1 ZINC000738759790 599846731 /nfs/dbraw/zinc/84/67/31/599846731.db2.gz AILAGXMZIGQOEE-QGZVFWFLSA-N -1 0 346.471 3.605 20 0 EHADRM Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(F)c2C(=O)[O-])c1 ZINC000738552307 599847711 /nfs/dbraw/zinc/84/77/11/599847711.db2.gz OVKLMVOHSXJNCG-UHFFFAOYSA-N -1 0 345.370 3.973 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C)cc2)cc1 ZINC000237362338 599849153 /nfs/dbraw/zinc/84/91/53/599849153.db2.gz URFJIBMQBHREHC-INIZCTEOSA-N -1 0 329.421 3.663 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N[C@@H](C)c3cccnc3)c12 ZINC000649383252 599854313 /nfs/dbraw/zinc/85/43/13/599854313.db2.gz JVMUOCGSJLXDHY-VIFPVBQESA-N -1 0 328.397 3.574 20 0 EHADRM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2o1 ZINC000237976237 599855802 /nfs/dbraw/zinc/85/58/02/599855802.db2.gz GDXUQMVWOZQYKE-CQSZACIVSA-N -1 0 343.766 3.512 20 0 EHADRM Cc1ccc2c(c1C)OC[C@@H]2NC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000738533134 599881308 /nfs/dbraw/zinc/88/13/08/599881308.db2.gz MCFFVJOTGWESGS-INIZCTEOSA-N -1 0 340.379 3.565 20 0 EHADRM O=C([O-])c1coc(COC(=O)c2csc(-c3cccs3)n2)c1 ZINC000740269508 599881409 /nfs/dbraw/zinc/88/14/09/599881409.db2.gz GCEKMRGVZHGRQA-UHFFFAOYSA-N -1 0 335.362 3.520 20 0 EHADRM O=C([O-])c1coc(COC(=O)c2ccc3nc(Cl)ccc3c2)c1 ZINC000740272722 599883314 /nfs/dbraw/zinc/88/33/14/599883314.db2.gz VFAKKYGEIAFFQL-UHFFFAOYSA-N -1 0 331.711 3.536 20 0 EHADRM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)OCc1cc(C(=O)[O-])co1 ZINC000736704866 599883514 /nfs/dbraw/zinc/88/35/14/599883514.db2.gz XTEMSNGNCMAHHF-LBPRGKRZSA-N -1 0 346.379 3.786 20 0 EHADRM O=C([O-])CCCCCNC(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000739668311 599888637 /nfs/dbraw/zinc/88/86/37/599888637.db2.gz PHAUPHISBFTKRJ-ROUUACIJSA-N -1 0 346.471 3.732 20 0 EHADRM O=C([O-])C1(NC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)CCCCC1 ZINC000238053267 599890711 /nfs/dbraw/zinc/89/07/11/599890711.db2.gz XPIFQYHEAULNSS-ZWKOTPCHSA-N -1 0 337.419 3.847 20 0 EHADRM Cc1ccc(Cl)c(NC(=S)NCCCCC(=O)[O-])c1Cl ZINC000738602236 599891389 /nfs/dbraw/zinc/89/13/89/599891389.db2.gz LDEQQIHTVRFJCG-UHFFFAOYSA-N -1 0 335.256 3.843 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2ccc(N3CCCC3)cc2)c1 ZINC000740033247 599895314 /nfs/dbraw/zinc/89/53/14/599895314.db2.gz IHCRUFHJWTVCCB-UHFFFAOYSA-N -1 0 325.368 3.629 20 0 EHADRM O=C([O-])c1ccc(OC(=O)c2cc(F)c(F)c(F)c2)c(Cl)c1 ZINC000740162300 599896212 /nfs/dbraw/zinc/89/62/12/599896212.db2.gz YCOZOJOKXOKVMK-UHFFFAOYSA-N -1 0 330.645 3.675 20 0 EHADRM CC(=O)Nc1ccc(NC(=O)c2cccc(NC(=O)[O-])c2)cc1Cl ZINC000736159839 599899888 /nfs/dbraw/zinc/89/98/88/599899888.db2.gz NDCQQEAOWCVECJ-UHFFFAOYSA-N -1 0 347.758 3.641 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2CCCCC[C@@H]2c2ccncc2)c1 ZINC000740027143 599905062 /nfs/dbraw/zinc/90/50/62/599905062.db2.gz LVVXRMUFXYYHRD-QGZVFWFLSA-N -1 0 339.395 3.929 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccccc1)c1ccccc1F ZINC000237509996 599912086 /nfs/dbraw/zinc/91/20/86/599912086.db2.gz CYOSSQMUNHQFQS-GUYCJALGSA-N -1 0 329.371 3.652 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)OCc2ncc(-c3ccccc3)o2)c1 ZINC000740037981 599912379 /nfs/dbraw/zinc/91/23/79/599912379.db2.gz ACTWOMBXUUTCAJ-UHFFFAOYSA-N -1 0 338.319 3.789 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)C[C@@H](C)c1ccccc1F ZINC000737865803 599912545 /nfs/dbraw/zinc/91/25/45/599912545.db2.gz KEBFDJDPZNJJGJ-LLVKDONJSA-N -1 0 332.327 3.632 20 0 EHADRM CCCCCC[C@@H](C)CC(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000736983737 599912597 /nfs/dbraw/zinc/91/25/97/599912597.db2.gz GHGDWPLHDPXYHO-RHSMWYFYSA-N -1 0 333.428 3.862 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C[C@H](C)c1ccccc1F ZINC000237599463 599913600 /nfs/dbraw/zinc/91/36/00/599913600.db2.gz YUCXOOXYNATJDX-LBPRGKRZSA-N -1 0 345.370 3.730 20 0 EHADRM CCOc1ccc(CCC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000236923256 599914083 /nfs/dbraw/zinc/91/40/83/599914083.db2.gz WQEPLCHEZGQOEK-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000237390772 599915107 /nfs/dbraw/zinc/91/51/07/599915107.db2.gz XRDQUGAWRBOPLY-SECBINFHSA-N -1 0 335.400 3.674 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000237478482 599915177 /nfs/dbraw/zinc/91/51/77/599915177.db2.gz XRDQUGAWRBOPLY-VIFPVBQESA-N -1 0 335.400 3.674 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(OCc3cccnc3)cc2)cc1 ZINC000740115367 599919879 /nfs/dbraw/zinc/91/98/79/599919879.db2.gz WTQMEJHRJYUHAX-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 ZINC000736376987 599920181 /nfs/dbraw/zinc/92/01/81/599920181.db2.gz QYSKCHGFOJJNHG-OAHLLOKOSA-N -1 0 347.415 3.647 20 0 EHADRM CCOc1cccc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)c1 ZINC000362566120 599920411 /nfs/dbraw/zinc/92/04/11/599920411.db2.gz WHTSLQONJQBOMB-UHFFFAOYSA-N -1 0 345.420 3.655 20 0 EHADRM C[C@H](CN(C(=O)CCc1ccc(C(C)(C)C)cc1)C1CC1)C(=O)[O-] ZINC000237596128 599921551 /nfs/dbraw/zinc/92/15/51/599921551.db2.gz YHHFBKMEHUVONG-CQSZACIVSA-N -1 0 331.456 3.628 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)C1 ZINC000136119373 599928271 /nfs/dbraw/zinc/92/82/71/599928271.db2.gz VJCROZGTLOVCHF-CQSZACIVSA-N -1 0 345.345 3.569 20 0 EHADRM CC(C)Cn1cc(C(=O)N(C[C@H](C)C(=O)[O-])C2CC2)c2ccccc21 ZINC000347396238 599929633 /nfs/dbraw/zinc/92/96/33/599929633.db2.gz IZJQYJVZTUTLET-AWEZNQCLSA-N -1 0 342.439 3.623 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000139385964 599931053 /nfs/dbraw/zinc/93/10/53/599931053.db2.gz INPWDMSUQQRIRF-KBXCAEBGSA-N -1 0 343.398 3.727 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000139386071 599931233 /nfs/dbraw/zinc/93/12/33/599931233.db2.gz INPWDMSUQQRIRF-RDTXWAMCSA-N -1 0 343.398 3.727 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)Cc1cc2ccccc2o1)c1ccccc1 ZINC000739660326 599932043 /nfs/dbraw/zinc/93/20/43/599932043.db2.gz ZKDMACMZJKDOTK-QGZVFWFLSA-N -1 0 337.375 3.698 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000261614307 599934089 /nfs/dbraw/zinc/93/40/89/599934089.db2.gz FEJCRTDBYBHRRR-RTBURBONSA-N -1 0 337.419 3.829 20 0 EHADRM Cc1cccc(CCC(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000195257004 599934091 /nfs/dbraw/zinc/93/40/91/599934091.db2.gz JMJYCGOKLQLSFU-SFHVURJKSA-N -1 0 325.408 3.650 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)Nc1cccc(C(=O)[O-])c1O ZINC000326198585 599948465 /nfs/dbraw/zinc/94/84/65/599948465.db2.gz OYRTVCGDNZWTFV-UHFFFAOYSA-N -1 0 329.283 3.536 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)c1cccc2cccnc21)c1ccccc1 ZINC000327377312 599953520 /nfs/dbraw/zinc/95/35/20/599953520.db2.gz NKADKRFHWJQTAN-KRWDZBQOSA-N -1 0 334.375 3.571 20 0 EHADRM O=C([O-])CSCc1cccc(Nc2ncnc3ccccc32)c1 ZINC000739874280 599960351 /nfs/dbraw/zinc/96/03/51/599960351.db2.gz QFFYLTIKXQAGPJ-UHFFFAOYSA-N -1 0 325.393 3.691 20 0 EHADRM Cc1cc(NCC(=O)Nc2cc(Cl)ccc2F)ccc1C(=O)[O-] ZINC000738459984 599961376 /nfs/dbraw/zinc/96/13/76/599961376.db2.gz NKWYDEYIIMTEJE-UHFFFAOYSA-N -1 0 336.750 3.536 20 0 EHADRM C[C@@H](C(=O)Nc1cccc(CSCC(=O)[O-])c1)c1ccccc1F ZINC000237493657 599972505 /nfs/dbraw/zinc/97/25/05/599972505.db2.gz DCMSJENQLPQVSX-GFCCVEGCSA-N -1 0 347.411 3.886 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000736297148 599979193 /nfs/dbraw/zinc/97/91/93/599979193.db2.gz PDLXYDSJOVKSQW-MRXNPFEDSA-N -1 0 347.361 3.818 20 0 EHADRM Cc1c2ccccc2oc1C(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000738259853 599980695 /nfs/dbraw/zinc/98/06/95/599980695.db2.gz QXSIKABBJNBTLR-OAHLLOKOSA-N -1 0 345.301 3.575 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCC2(c3ccc(Cl)cc3)CCC2)cc1 ZINC000740110379 599992657 /nfs/dbraw/zinc/99/26/57/599992657.db2.gz JBRYZUGPLGPOEQ-UHFFFAOYSA-N -1 0 343.810 3.890 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000236912932 599993006 /nfs/dbraw/zinc/99/30/06/599993006.db2.gz KHBJUJTYOMFOKB-LLVKDONJSA-N -1 0 331.334 3.522 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)OCc2cc(F)cc3cccnc32)c1 ZINC000740038630 599998182 /nfs/dbraw/zinc/99/81/82/599998182.db2.gz FQTOQKYWRFQMOJ-UHFFFAOYSA-N -1 0 340.310 3.821 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCCc3c(Cl)ccc(F)c32)c1 ZINC000740215320 599998206 /nfs/dbraw/zinc/99/82/06/599998206.db2.gz XCRYHPPBKWWCOV-UHFFFAOYSA-N -1 0 333.746 3.770 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)OCc1cccc(C(=O)[O-])c1 ZINC000738119406 600001851 /nfs/dbraw/zinc/00/18/51/600001851.db2.gz HIIKFUUAOIXWDX-ZDUSSCGKSA-N -1 0 328.364 3.630 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2ccc(CSC)cc2)c1 ZINC000322281634 600002902 /nfs/dbraw/zinc/00/29/02/600002902.db2.gz VDGYQBDGOBAZLL-UHFFFAOYSA-N -1 0 331.393 3.509 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cc3c(s2)CC[C@H](C)C3)c1 ZINC000325385455 600002929 /nfs/dbraw/zinc/00/29/29/600002929.db2.gz OKZLSSBIYFTFEO-JTQLQIEISA-N -1 0 345.420 3.832 20 0 EHADRM CCC[C@@](C)(NC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000736954485 600008100 /nfs/dbraw/zinc/00/81/00/600008100.db2.gz LOHPKOCTXQQNPM-BJOHPYRUSA-N -1 0 348.226 3.520 20 0 EHADRM C[C@@H](NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000326364215 600012309 /nfs/dbraw/zinc/01/23/09/600012309.db2.gz HSQZXGHNKVGWRP-LLVKDONJSA-N -1 0 344.798 3.825 20 0 EHADRM CN(Cc1ncc(-c2cccs2)o1)Cc1ccc(C(=O)[O-])cc1 ZINC000737470846 600013027 /nfs/dbraw/zinc/01/30/27/600013027.db2.gz OMGCVXHWRGJQNK-UHFFFAOYSA-N -1 0 328.393 3.733 20 0 EHADRM COc1cccc([C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000738092700 600014854 /nfs/dbraw/zinc/01/48/54/600014854.db2.gz SDROAPXTYLQJDJ-GFCCVEGCSA-N -1 0 328.368 3.585 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)s1 ZINC000321630857 600018935 /nfs/dbraw/zinc/01/89/35/600018935.db2.gz IWRFKEXINQHUTO-NSHDSACASA-N -1 0 330.409 3.541 20 0 EHADRM Cc1ccccc1C1(C(=O)N2CCC[C@H](C(=O)[O-])C2)CCCCC1 ZINC000237688581 600022681 /nfs/dbraw/zinc/02/26/81/600022681.db2.gz HWNRPSVMJZHHOI-INIZCTEOSA-N -1 0 329.440 3.520 20 0 EHADRM CN(C(=O)NC1CCC(C(=O)[O-])CC1)C1CCC(C(C)(C)C)CC1 ZINC000263508751 600027540 /nfs/dbraw/zinc/02/75/40/600027540.db2.gz XZVIIUFBIBFABB-UHFFFAOYSA-N -1 0 338.492 3.876 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000261800782 600029016 /nfs/dbraw/zinc/02/90/16/600029016.db2.gz UTIVYBCPDPGCQB-ZOODHJKOSA-N -1 0 338.835 3.686 20 0 EHADRM O=C([O-])C1CCC(NC(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000040558295 600029388 /nfs/dbraw/zinc/02/93/88/600029388.db2.gz PONXQOZNOGGLNZ-UHFFFAOYSA-N -1 0 331.199 3.758 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Nc2ccccc2Br)cc1 ZINC000238072722 600032152 /nfs/dbraw/zinc/03/21/52/600032152.db2.gz VWEIKJPHLZXHIL-UHFFFAOYSA-N -1 0 348.196 3.719 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000238071063 600032975 /nfs/dbraw/zinc/03/29/75/600032975.db2.gz XLKWVHPOVZXTDQ-UHFFFAOYSA-N -1 0 337.297 3.975 20 0 EHADRM C[C@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccccc1Cl ZINC000237616490 600033951 /nfs/dbraw/zinc/03/39/51/600033951.db2.gz PZCYKGJAPGEOLV-LBPRGKRZSA-N -1 0 331.799 3.848 20 0 EHADRM CC[C@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc(C)cc1 ZINC000236997467 600034637 /nfs/dbraw/zinc/03/46/37/600034637.db2.gz YISZCGCWZOBTIJ-SFHVURJKSA-N -1 0 325.408 3.893 20 0 EHADRM CCc1ccc([C@@H](C)NC(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000236954483 600034685 /nfs/dbraw/zinc/03/46/85/600034685.db2.gz QVKOYZMPVHLIQD-CQSZACIVSA-N -1 0 325.408 3.757 20 0 EHADRM CC[C@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc(OC)cc1 ZINC000236997557 600034958 /nfs/dbraw/zinc/03/49/58/600034958.db2.gz ZNZFMMVENFJZRY-SFHVURJKSA-N -1 0 341.407 3.594 20 0 EHADRM C[C@@H](c1ccc(F)cc1)N(C)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237593650 600035783 /nfs/dbraw/zinc/03/57/83/600035783.db2.gz OFRBYJNTTSVVJJ-ZDUSSCGKSA-N -1 0 329.371 3.676 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000739490971 600039317 /nfs/dbraw/zinc/03/93/17/600039317.db2.gz SYYZTVZGPXZYBN-UHFFFAOYSA-N -1 0 337.307 3.513 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Nc2nc(-c3ccco3)cs2)cc1 ZINC000739259895 600039959 /nfs/dbraw/zinc/03/99/59/600039959.db2.gz IPZOXEVSCHOCHE-UHFFFAOYSA-N -1 0 342.376 3.673 20 0 EHADRM CC1(C)CN(C(=O)CCc2ccc(C(=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000736736071 600041284 /nfs/dbraw/zinc/04/12/84/600041284.db2.gz UVVLFOBTMJOLIG-LJQANCHMSA-N -1 0 337.419 3.927 20 0 EHADRM CC1(C)CN(C(=O)CCc2ccc(C(=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000736736070 600041313 /nfs/dbraw/zinc/04/13/13/600041313.db2.gz UVVLFOBTMJOLIG-IBGZPJMESA-N -1 0 337.419 3.927 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N2CCC3(CCCCC3)CC2)cc1 ZINC000137236973 600042567 /nfs/dbraw/zinc/04/25/67/600042567.db2.gz XIOWVNSQNOJLTO-UHFFFAOYSA-N -1 0 329.440 3.890 20 0 EHADRM Cc1cc(C(=O)[O-])c2sc(NC(=O)C[C@H]3CCC[C@@H](C)C3)nc2n1 ZINC000738340809 600049211 /nfs/dbraw/zinc/04/92/11/600049211.db2.gz BOLGYABBKWCOCN-KOLCDFICSA-N -1 0 347.440 3.853 20 0 EHADRM Cc1ccc(-c2nnc(SCc3occc3C(=O)[O-])o2)c(C)c1 ZINC000738495324 600056723 /nfs/dbraw/zinc/05/67/23/600056723.db2.gz SIWRPWYJSXUTPF-UHFFFAOYSA-N -1 0 330.365 3.937 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)CCc1ccccc1C ZINC000737873956 600061216 /nfs/dbraw/zinc/06/12/16/600061216.db2.gz UHNJCVZROWMCNF-FLIBITNWSA-N -1 0 340.375 3.640 20 0 EHADRM CC/C(=C/C(=O)N[C@@H](CC(=O)[O-])c1cccs1)c1ccccc1 ZINC000736837770 600061368 /nfs/dbraw/zinc/06/13/68/600061368.db2.gz YZMGLSHQMSQHRM-HVCHUGMYSA-N -1 0 329.421 3.874 20 0 EHADRM CC[C@H](CC(=O)NCc1ccc(OC)c(C(=O)[O-])c1)c1ccccc1 ZINC000236932715 600061610 /nfs/dbraw/zinc/06/16/10/600061610.db2.gz FBURACCFEYPLNW-OAHLLOKOSA-N -1 0 341.407 3.594 20 0 EHADRM CC[C@@H](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])c1ccccc1 ZINC000236919138 600061741 /nfs/dbraw/zinc/06/17/41/600061741.db2.gz AVYVDMGPLBNUQW-KXBFYZLASA-N -1 0 337.419 3.608 20 0 EHADRM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)CCCC(C)(C)C ZINC000736821671 600062719 /nfs/dbraw/zinc/06/27/19/600062719.db2.gz DRTMTQGDAVRGCV-HNNXBMFYSA-N -1 0 346.471 3.638 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)CCc2ccccc2)c1 ZINC000238212080 600067343 /nfs/dbraw/zinc/06/73/43/600067343.db2.gz BRTNNGKRVQKZRB-UHFFFAOYSA-N -1 0 343.448 3.966 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)c(C)o1 ZINC000237795274 600067356 /nfs/dbraw/zinc/06/73/56/600067356.db2.gz YTIQKDOUEFNNQN-UHFFFAOYSA-N -1 0 333.409 3.857 20 0 EHADRM CC(C)(C)OC(=O)NCc1cccc(OCc2ccc(C(=O)[O-])o2)c1 ZINC000736283326 600077589 /nfs/dbraw/zinc/07/75/89/600077589.db2.gz CZLUEBHKEJPXDM-UHFFFAOYSA-N -1 0 347.367 3.582 20 0 EHADRM COC(=O)c1cc(F)ccc1COc1cc(Cl)ccc1C(=O)[O-] ZINC000737654671 600080736 /nfs/dbraw/zinc/08/07/36/600080736.db2.gz VYQYUQOCKIMUKM-UHFFFAOYSA-N -1 0 338.718 3.543 20 0 EHADRM Cc1ccc2c(CN3Cc4ccc(C(=O)[O-])cc4C3)cc(=O)oc2c1C ZINC000738664637 600087986 /nfs/dbraw/zinc/08/79/86/600087986.db2.gz HTICZELAWQZNBV-UHFFFAOYSA-N -1 0 349.386 3.624 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)COc2ccc(Cl)cc2)ccc1F ZINC000740004871 600089708 /nfs/dbraw/zinc/08/97/08/600089708.db2.gz IAFINZLXTNWMFJ-UHFFFAOYSA-N -1 0 338.722 3.587 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)COc2ccccc2Cl)ccc1F ZINC000740005776 600090274 /nfs/dbraw/zinc/09/02/74/600090274.db2.gz QOQINJIQJWSTPO-UHFFFAOYSA-N -1 0 338.722 3.587 20 0 EHADRM Cc1[nH]c(C(=O)CN([C@H](C)c2ccccc2)C2CC2)c(C)c1C(=O)[O-] ZINC000738155068 600090660 /nfs/dbraw/zinc/09/06/60/600090660.db2.gz YUMBRXYBEWAJFF-CQSZACIVSA-N -1 0 340.423 3.738 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)OCc2ccc(F)cc2Cl)cc1 ZINC000739261436 600094137 /nfs/dbraw/zinc/09/41/37/600094137.db2.gz SEMVAXHMNBKUKG-UHFFFAOYSA-N -1 0 336.746 3.853 20 0 EHADRM Cc1c(NC(=O)NCCCc2cccc(F)c2)cccc1C(=O)[O-] ZINC000738304264 600095364 /nfs/dbraw/zinc/09/53/64/600095364.db2.gz MMHCRMNMFPXXEU-UHFFFAOYSA-N -1 0 330.359 3.587 20 0 EHADRM O=C([O-])c1ccc(CCc2nc(CCCc3ccccc3)no2)cc1 ZINC000740124340 600109897 /nfs/dbraw/zinc/10/98/97/600109897.db2.gz QQXPRNAJDMKCJY-UHFFFAOYSA-N -1 0 336.391 3.728 20 0 EHADRM Cc1ccc(OCCc2nc(-c3ccc(C(=O)[O-])cc3)no2)cc1C ZINC000738649510 600114121 /nfs/dbraw/zinc/11/41/21/600114121.db2.gz UIMNEIGYIBVCJN-UHFFFAOYSA-N -1 0 338.363 3.673 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)Nc1cc(F)ccc1Cl)C2 ZINC000391556716 600114391 /nfs/dbraw/zinc/11/43/91/600114391.db2.gz XFMWCQPLEIYVII-UHFFFAOYSA-N -1 0 334.734 3.725 20 0 EHADRM Cc1ccc2c(c1)[nH]cc2C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000738667100 600115582 /nfs/dbraw/zinc/11/55/82/600115582.db2.gz ALQMCYAOKIGFKI-UHFFFAOYSA-N -1 0 327.311 3.671 20 0 EHADRM COc1cccc([C@H]2C[C@@H]2C(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)c1 ZINC000738097760 600122214 /nfs/dbraw/zinc/12/22/14/600122214.db2.gz WRPSKVUTKUSNLJ-RZAIGCCYSA-N -1 0 340.375 3.801 20 0 EHADRM Cc1cc(NC(=O)CSc2ccc3ccccc3c2)c(C(=O)[O-])[nH]1 ZINC000738431460 600122228 /nfs/dbraw/zinc/12/22/28/600122228.db2.gz ACHWRKXNEMTWNT-UHFFFAOYSA-N -1 0 340.404 3.905 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)CCC(=O)c2ccccc2)ccc1F ZINC000740005711 600123063 /nfs/dbraw/zinc/12/30/63/600123063.db2.gz KSPJNGOXPDEZNT-UHFFFAOYSA-N -1 0 330.315 3.517 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)CCc1ccc(Cl)cc1 ZINC000736188353 600123921 /nfs/dbraw/zinc/12/39/21/600123921.db2.gz FFQPUNUTNJTGDD-UHFFFAOYSA-N -1 0 346.766 3.779 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c(C(=O)[O-])[nH]1 ZINC000738417082 600124523 /nfs/dbraw/zinc/12/45/23/600124523.db2.gz GBKYRWOXPLZJMC-GFCCVEGCSA-N -1 0 344.411 3.725 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)NC(C2CC2)C2CC2)c1 ZINC000739754422 600124608 /nfs/dbraw/zinc/12/46/08/600124608.db2.gz PTWZXHNCZHHNES-UHFFFAOYSA-N -1 0 348.468 3.705 20 0 EHADRM C[C@@H](C1CC1)N(C)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000736541708 600125039 /nfs/dbraw/zinc/12/50/39/600125039.db2.gz ZJVUQHWJVJIUPD-LBPRGKRZSA-N -1 0 336.457 3.657 20 0 EHADRM CC[C@](NC(=O)c1ccc(SC)cc1)(C(=O)[O-])c1ccccc1 ZINC000362338819 600128829 /nfs/dbraw/zinc/12/88/29/600128829.db2.gz GQLVZMXLLVLVIJ-GOSISDBHSA-N -1 0 329.421 3.528 20 0 EHADRM CC[C@](NC(=O)C12CC3CC(CC(C3)C1)C2)(C(=O)[O-])c1ccccc1 ZINC000736907330 600129232 /nfs/dbraw/zinc/12/92/32/600129232.db2.gz PKCKYZCFECAEHZ-YYSOLSFBSA-N -1 0 341.451 3.709 20 0 EHADRM CC[C@](NC(=O)C[C@@H](C)c1ccccc1F)(C(=O)[O-])c1ccccc1 ZINC000485380195 600130813 /nfs/dbraw/zinc/13/08/13/600130813.db2.gz PDGCMWZVHYUKAU-JLTOFOAXSA-N -1 0 343.398 3.826 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)Oc1ccc(C)cc1C(=O)[O-] ZINC000738121504 600131351 /nfs/dbraw/zinc/13/13/51/600131351.db2.gz SERMVSBOXXFLEU-CYBMUJFWSA-N -1 0 328.364 3.801 20 0 EHADRM Cc1ccc(OC(=O)CCCOc2cccc(F)c2)c(C(=O)[O-])c1 ZINC000738642091 600131714 /nfs/dbraw/zinc/13/17/14/600131714.db2.gz YREPSIREIYWOBW-UHFFFAOYSA-N -1 0 332.327 3.597 20 0 EHADRM COc1ccc(CCCC(=O)Oc2ccc(C)cc2C(=O)[O-])cc1 ZINC000737993852 600132157 /nfs/dbraw/zinc/13/21/57/600132157.db2.gz YINNGHZQDGHEJM-UHFFFAOYSA-N -1 0 328.364 3.630 20 0 EHADRM CC[C@](NC(=O)/C=C\c1ccc(Cl)cc1)(C(=O)[O-])c1ccccc1 ZINC000736907114 600132582 /nfs/dbraw/zinc/13/25/82/600132582.db2.gz NYKURUXBFXSTJN-QTJNJRLBSA-N -1 0 343.810 3.860 20 0 EHADRM Cc1ccc(OC(=O)CCC(=O)c2ccc(F)cc2F)c(C(=O)[O-])c1 ZINC000738639902 600132769 /nfs/dbraw/zinc/13/27/69/600132769.db2.gz KQBUCNKJRBTKEB-UHFFFAOYSA-N -1 0 348.301 3.540 20 0 EHADRM Cc1cc(C)c(C)c(OCCC(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000738356294 600142967 /nfs/dbraw/zinc/14/29/67/600142967.db2.gz UJICXTRAQIUNLN-UHFFFAOYSA-N -1 0 327.380 3.718 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2sccc2SC(F)F)cc1 ZINC000739880147 600144559 /nfs/dbraw/zinc/14/45/59/600144559.db2.gz UXBGSXFOXGCQHS-UHFFFAOYSA-N -1 0 343.376 3.942 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)NCCCC(=O)[O-])c(F)c2)cc1C ZINC000237800410 600150138 /nfs/dbraw/zinc/15/01/38/600150138.db2.gz TYGXMUOCCCMPBZ-UHFFFAOYSA-N -1 0 329.371 3.704 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)[C@@H]1CCc3ccccc31)CCC2 ZINC000740068497 600150722 /nfs/dbraw/zinc/15/07/22/600150722.db2.gz IIYWUKXGQTXPML-GFCCVEGCSA-N -1 0 327.405 3.604 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)c2cc3cccc(C)c3o2)C(=O)[O-])cc1 ZINC000486373876 600158860 /nfs/dbraw/zinc/15/88/60/600158860.db2.gz FBEKXKZXUAECNW-MRXNPFEDSA-N -1 0 337.375 3.648 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(C(F)F)c2)cc1 ZINC000737950997 600161022 /nfs/dbraw/zinc/16/10/22/600161022.db2.gz DCUCUAMERBWEHB-HNNXBMFYSA-N -1 0 349.333 3.579 20 0 EHADRM CCc1ccc(NC(=O)NC[C@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000737267201 600176042 /nfs/dbraw/zinc/17/60/42/600176042.db2.gz UXHAEGLEURGCRF-KRWDZBQOSA-N -1 0 326.396 3.547 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)Nc2ccc(C)cc2Cl)C(=O)[O-])cc1 ZINC000738557932 600176362 /nfs/dbraw/zinc/17/63/62/600176362.db2.gz ACRQMBVQRUKDKZ-CQSZACIVSA-N -1 0 346.814 3.947 20 0 EHADRM CC(C)c1cccc(NC(=O)NCc2cccc(OCC(=O)[O-])c2)c1 ZINC000736521228 600179460 /nfs/dbraw/zinc/17/94/60/600179460.db2.gz NBJDGFYLZCKJGU-UHFFFAOYSA-N -1 0 342.395 3.595 20 0 EHADRM C[C@H](CCC1CCCCC1)NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736560778 600189746 /nfs/dbraw/zinc/18/97/46/600189746.db2.gz DULVNSUPGIANEL-ZBFHGGJFSA-N -1 0 336.476 3.632 20 0 EHADRM CC(C)CC[C@@H](NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)C(C)(C)C ZINC000736429174 600189832 /nfs/dbraw/zinc/18/98/32/600189832.db2.gz SKJDTDGLNUTBKE-LSDHHAIUSA-N -1 0 338.492 3.734 20 0 EHADRM O=C([O-])c1cnc(NC(=O)C2(Sc3ccccc3)CCCC2)s1 ZINC000740260228 600191864 /nfs/dbraw/zinc/19/18/64/600191864.db2.gz OCNRIGLNEJEHBA-UHFFFAOYSA-N -1 0 348.449 3.885 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000736929524 600192412 /nfs/dbraw/zinc/19/24/12/600192412.db2.gz QCQJCLHJRXBCDX-KRWDZBQOSA-N -1 0 341.432 3.845 20 0 EHADRM C/C(=C/C(=O)N1CCc2cc(C(=O)[O-])ccc21)c1cccc(F)c1 ZINC000736122203 600192514 /nfs/dbraw/zinc/19/25/14/600192514.db2.gz XKDHMBWOHZXLOH-XFXZXTDPSA-N -1 0 325.339 3.517 20 0 EHADRM C/C(=C\C(=O)Nc1ccc(N(C)C(=O)[O-])cc1)c1cccc(F)c1 ZINC000736121132 600195860 /nfs/dbraw/zinc/19/58/60/600195860.db2.gz OSFOQLCRGRQZBR-ZRDIBKRKSA-N -1 0 328.343 3.982 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(Cl)nc3ccccc32)c(F)c1 ZINC000326061839 600199342 /nfs/dbraw/zinc/19/93/42/600199342.db2.gz JVTAASQUAGUBQA-UHFFFAOYSA-N -1 0 344.729 3.978 20 0 EHADRM COc1cccc2cc(C(=O)Nc3ccc(C(=O)[O-])cc3F)oc21 ZINC000677848212 600200413 /nfs/dbraw/zinc/20/04/13/600200413.db2.gz SSARYAMTWFMNSR-UHFFFAOYSA-N -1 0 329.283 3.531 20 0 EHADRM CC(C)(C)CN(CC(F)(F)F)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000736249262 600202528 /nfs/dbraw/zinc/20/25/28/600202528.db2.gz UVLOOMUYAXUIMH-UHFFFAOYSA-N -1 0 345.361 3.754 20 0 EHADRM CC1=C(C(=O)[O-])[C@@H](c2ccc(F)cc2)NC(=O)N1Cc1cccs1 ZINC000736749478 600205978 /nfs/dbraw/zinc/20/59/78/600205978.db2.gz CCAZHWKHNPVMER-OAHLLOKOSA-N -1 0 346.383 3.512 20 0 EHADRM C[C@H](CC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1cccc(F)c1 ZINC000736547460 600207131 /nfs/dbraw/zinc/20/71/31/600207131.db2.gz BXBFMXCNRXMXSX-SECBINFHSA-N -1 0 337.297 3.934 20 0 EHADRM Cc1c(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)cccc1C(=O)[O-] ZINC000675966727 600207148 /nfs/dbraw/zinc/20/71/48/600207148.db2.gz SSHPGFJJYZLWPO-NEPJUHHUSA-N -1 0 331.318 3.714 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)c(F)c1 ZINC000479403603 600207906 /nfs/dbraw/zinc/20/79/06/600207906.db2.gz BKMPUTZLIGETIF-UWVGGRQHSA-N -1 0 335.281 3.544 20 0 EHADRM C[C@H](CC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1cccc(F)c1 ZINC000621556413 600208402 /nfs/dbraw/zinc/20/84/02/600208402.db2.gz KEIGKDXZGWZGSS-GFCCVEGCSA-N -1 0 327.355 3.560 20 0 EHADRM Cc1ccc([C@H]2CSCCN2C(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000237659918 600211063 /nfs/dbraw/zinc/21/10/63/600211063.db2.gz LRZABPOTUTXYCV-QGZVFWFLSA-N -1 0 341.432 3.624 20 0 EHADRM CC(C)COc1ccccc1C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000736448124 600219437 /nfs/dbraw/zinc/21/94/37/600219437.db2.gz HGSNEFQTOOUVMA-INIZCTEOSA-N -1 0 339.391 3.550 20 0 EHADRM Cc1cccc(NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)c1C ZINC000738735911 600232765 /nfs/dbraw/zinc/23/27/65/600232765.db2.gz WOKLYFLCCYQUAI-UHFFFAOYSA-N -1 0 328.368 3.801 20 0 EHADRM CCCOc1ccccc1NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000737034198 600233275 /nfs/dbraw/zinc/23/32/75/600233275.db2.gz DLKMXJOAIXVIIG-UHFFFAOYSA-N -1 0 332.331 3.957 20 0 EHADRM COc1cc(C)c(NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1OC ZINC000737868130 600233822 /nfs/dbraw/zinc/23/38/22/600233822.db2.gz MFYJJRVBGXSXOY-UHFFFAOYSA-N -1 0 344.367 3.663 20 0 EHADRM C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000237532225 600235560 /nfs/dbraw/zinc/23/55/60/600235560.db2.gz FVBHSNVDBZQOQH-KWQFWETISA-N -1 0 348.251 3.550 20 0 EHADRM Cc1csc(C(C)(C)NC(=O)Nc2cccc(C(=O)[O-])c2C)n1 ZINC000738816780 600240243 /nfs/dbraw/zinc/24/02/43/600240243.db2.gz OKSUWOJOENAOMK-UHFFFAOYSA-N -1 0 333.413 3.515 20 0 EHADRM CC(C)(C(=O)Nc1ccc(CC(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000542504117 600246841 /nfs/dbraw/zinc/24/68/41/600246841.db2.gz NHPKMQRGGMVCTN-UHFFFAOYSA-N -1 0 331.799 3.883 20 0 EHADRM Cc1sc(NC(=O)c2cccc(-n3cccn3)c2)c(C(=O)[O-])c1C ZINC000738398148 600248812 /nfs/dbraw/zinc/24/88/12/600248812.db2.gz KGNYTHTYSLBRIU-UHFFFAOYSA-N -1 0 341.392 3.501 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000738084956 600249134 /nfs/dbraw/zinc/24/91/34/600249134.db2.gz KAEWJOAQECQKFN-UHFFFAOYSA-N -1 0 330.380 3.515 20 0 EHADRM Cc1ccc(N2CCCC2)c(C(=O)Nc2cccc(NC(=O)[O-])c2)c1 ZINC000738615269 600249657 /nfs/dbraw/zinc/24/96/57/600249657.db2.gz MKOMQZYVOQMBKV-UHFFFAOYSA-N -1 0 339.395 3.937 20 0 EHADRM Cc1cc(NC(=O)c2sccc2SC(F)F)c(C(=O)[O-])[nH]1 ZINC000738452357 600251844 /nfs/dbraw/zinc/25/18/44/600251844.db2.gz MGQWPLYHYBUPRT-UHFFFAOYSA-N -1 0 332.353 3.650 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N[C@@H](CC(=O)[O-])c3cccs3)cc2c1C ZINC000237858293 600254301 /nfs/dbraw/zinc/25/43/01/600254301.db2.gz BGOAVSUSWPSGID-AWEZNQCLSA-N -1 0 342.420 3.792 20 0 EHADRM CC(C)(C)/C=C\C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000736251002 600257987 /nfs/dbraw/zinc/25/79/87/600257987.db2.gz PDAMJFIAXQSNTC-WFTPILKQSA-N -1 0 339.435 3.802 20 0 EHADRM Cc1[nH]c(C(=O)CN2CCCCC[C@@H]2c2ccco2)c(C)c1C(=O)[O-] ZINC000738153968 600262906 /nfs/dbraw/zinc/26/29/06/600262906.db2.gz PWMHYNHAYZEKJB-CQSZACIVSA-N -1 0 344.411 3.723 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(C(=O)c1cc3c(cccc3Cl)s1)CC2 ZINC000739533383 600264887 /nfs/dbraw/zinc/26/48/87/600264887.db2.gz BJWFVYGGYBHPNJ-NSHDSACASA-N -1 0 349.839 3.882 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(C(=O)c1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000555713103 600265740 /nfs/dbraw/zinc/26/57/40/600265740.db2.gz NABNVUAUGMTWIU-IBGZPJMESA-N -1 0 347.414 3.585 20 0 EHADRM C[C@H](COC(=O)Cn1cc(C(=O)[O-])c2ccccc21)c1ccccc1 ZINC000736607050 600266516 /nfs/dbraw/zinc/26/65/16/600266516.db2.gz ODOXYUVNEXQAQQ-CQSZACIVSA-N -1 0 337.375 3.686 20 0 EHADRM C[C@@H](OC(=O)CCc1cc(Cl)cs1)c1ccc(C(=O)[O-])o1 ZINC000736694653 600271869 /nfs/dbraw/zinc/27/18/69/600271869.db2.gz ZZNJWQFHCBYHHB-MRVPVSSYSA-N -1 0 328.773 3.930 20 0 EHADRM CC[C@@H](NC(=S)Nc1ccc(CNC(=O)[O-])cc1)c1cccs1 ZINC000736920294 600280188 /nfs/dbraw/zinc/28/01/88/600280188.db2.gz QNQXFNBYJVXJFH-CYBMUJFWSA-N -1 0 349.481 3.953 20 0 EHADRM Cc1ccc(NC(=O)Nc2cccc(NC(=O)[O-])c2)c2n[nH]cc21 ZINC000738627887 600280278 /nfs/dbraw/zinc/28/02/78/600280278.db2.gz VDUFGKZYDTZZEE-UHFFFAOYSA-N -1 0 325.328 3.605 20 0 EHADRM C[C@H](Cc1cccs1)NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000317165424 600281996 /nfs/dbraw/zinc/28/19/96/600281996.db2.gz HRTVNAKYLFPZNV-SECBINFHSA-N -1 0 338.816 3.852 20 0 EHADRM CN(Cc1ccc(NC(=O)CCc2ccccc2F)cc1)C(=O)[O-] ZINC000737479214 600282624 /nfs/dbraw/zinc/28/26/24/600282624.db2.gz OFEYPXUDIYUITJ-UHFFFAOYSA-N -1 0 330.359 3.507 20 0 EHADRM CN(Cc1ccc(NC(=O)CCc2ccc(F)cc2)cc1)C(=O)[O-] ZINC000737478246 600283542 /nfs/dbraw/zinc/28/35/42/600283542.db2.gz GJHRVPQDIMEHBP-UHFFFAOYSA-N -1 0 330.359 3.507 20 0 EHADRM Cc1ccc(OCCNC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000738649779 600283778 /nfs/dbraw/zinc/28/37/78/600283778.db2.gz ZRFXAFMJJCGUAL-UHFFFAOYSA-N -1 0 348.786 3.547 20 0 EHADRM C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000736716351 600290957 /nfs/dbraw/zinc/29/09/57/600290957.db2.gz FZWBPAXZVLOXND-JTQLQIEISA-N -1 0 348.786 3.969 20 0 EHADRM CC(C)(C(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000736230268 600292556 /nfs/dbraw/zinc/29/25/56/600292556.db2.gz JTUPONPNPFZBRN-UHFFFAOYSA-N -1 0 330.359 3.510 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)CCSc2ccc(F)cc2)cc1 ZINC000739986157 600296520 /nfs/dbraw/zinc/29/65/20/600296520.db2.gz OBMKAYFDVKKBBN-UHFFFAOYSA-N -1 0 348.399 3.714 20 0 EHADRM CN(Cc1ccc(NCC(=O)Nc2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC000737485701 600315128 /nfs/dbraw/zinc/31/51/28/600315128.db2.gz BWNUXKCLAAXZBR-UHFFFAOYSA-N -1 0 347.802 3.500 20 0 EHADRM Cc1ccc(OCC(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1C ZINC000738639496 600320647 /nfs/dbraw/zinc/32/06/47/600320647.db2.gz RDJXITFNGNHJET-QGZVFWFLSA-N -1 0 348.782 3.705 20 0 EHADRM O=C([O-])[C@@H](OC(=O)[C@H]1Cc2ccccc2S1)c1cccc(Cl)c1 ZINC000740290340 600322933 /nfs/dbraw/zinc/32/29/33/600322933.db2.gz IOIUVHFDGIHKII-CABCVRRESA-N -1 0 348.807 3.726 20 0 EHADRM COc1cccc(CCC(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000738095320 600324110 /nfs/dbraw/zinc/32/41/10/600324110.db2.gz UWTHNCPLMINFBW-QGZVFWFLSA-N -1 0 348.782 3.650 20 0 EHADRM CCCCc1noc([C@H](C)Nc2ccc(CN(C)C(=O)[O-])cc2)n1 ZINC000737004139 600326089 /nfs/dbraw/zinc/32/60/89/600326089.db2.gz MUNPEYGKCNXZBY-LBPRGKRZSA-N -1 0 332.404 3.695 20 0 EHADRM CCOC(=O)[C@@H](Nc1ccc(CN(C)C(=O)[O-])cc1)c1ccccc1 ZINC000737133482 600326875 /nfs/dbraw/zinc/32/68/75/600326875.db2.gz ZOJCNAALIVHBHQ-KRWDZBQOSA-N -1 0 342.395 3.513 20 0 EHADRM C[C@@H]1CCCC[C@@H]1OCC(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000736786187 600330331 /nfs/dbraw/zinc/33/03/31/600330331.db2.gz TWGKHZFOYIGZRN-DIOULYMOSA-N -1 0 340.803 3.604 20 0 EHADRM CCCCOc1ccccc1NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736999483 600336356 /nfs/dbraw/zinc/33/63/56/600336356.db2.gz DBANYDSZOIKUSG-CQSZACIVSA-N -1 0 346.427 3.584 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(CC(=O)[O-])cc1)Cc1ccccc1 ZINC000736322164 600337548 /nfs/dbraw/zinc/33/75/48/600337548.db2.gz QSAZKQQFAPTDPA-UHFFFAOYSA-N -1 0 340.423 3.704 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc(CSCC(=O)[O-])c1)C1CCCC1 ZINC000736648248 600338376 /nfs/dbraw/zinc/33/83/76/600338376.db2.gz CTAHSWSSTJADHJ-GFCCVEGCSA-N -1 0 336.457 3.705 20 0 EHADRM CS[C@H]1CCC[C@@H](NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000738181561 600339616 /nfs/dbraw/zinc/33/96/16/600339616.db2.gz LPVQJEOCIZREOM-KOLCDFICSA-N -1 0 341.408 3.711 20 0 EHADRM CCSc1cccc(NC(=O)NCCc2ccc(C(=O)[O-])cc2)c1 ZINC000737229037 600340126 /nfs/dbraw/zinc/34/01/26/600340126.db2.gz HJBYFLVBKMBVLB-UHFFFAOYSA-N -1 0 344.436 3.861 20 0 EHADRM CN(Cc1ccc(NC(=O)N(C)Cc2ccccc2F)cc1)C(=O)[O-] ZINC000737482920 600341811 /nfs/dbraw/zinc/34/18/11/600341811.db2.gz OIVLTPNXNFJSEK-UHFFFAOYSA-N -1 0 345.374 3.599 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cc1 ZINC000738552174 600347806 /nfs/dbraw/zinc/34/78/06/600347806.db2.gz OBDFCTFJAPYXKE-AWEZNQCLSA-N -1 0 341.411 3.988 20 0 EHADRM CC(C)c1ccccc1OCCNC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000736523988 600355662 /nfs/dbraw/zinc/35/56/62/600355662.db2.gz XBVGKSPFIGZPPC-UHFFFAOYSA-N -1 0 342.395 3.709 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)Oc2ccc(CC(=O)[O-])cc2)cc1 ZINC000737255984 600367341 /nfs/dbraw/zinc/36/73/41/600367341.db2.gz DTELLBKXPXJSJN-AWEZNQCLSA-N -1 0 326.392 3.975 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)c2coc(-c3ccccc3)n2)c1 ZINC000740134685 600368254 /nfs/dbraw/zinc/36/82/54/600368254.db2.gz IQOGDHPOAVUWDE-UHFFFAOYSA-N -1 0 342.738 3.946 20 0 EHADRM Cc1cc(NC(=O)c2ccc(C(F)(F)F)nc2C)sc1C(=O)[O-] ZINC000738448263 600371197 /nfs/dbraw/zinc/37/11/97/600371197.db2.gz BLJRAXIRFPMLGT-UHFFFAOYSA-N -1 0 344.314 3.729 20 0 EHADRM Cc1cc(NC(=O)c2cn(-c3ccccc3)nc2C)sc1C(=O)[O-] ZINC000738240569 600372304 /nfs/dbraw/zinc/37/23/04/600372304.db2.gz PPEKLZVUEDTGGX-UHFFFAOYSA-N -1 0 341.392 3.501 20 0 EHADRM Cc1cc(NC(=O)c2cc(C)ccc2N2CCCC2)sc1C(=O)[O-] ZINC000738278635 600372910 /nfs/dbraw/zinc/37/29/10/600372910.db2.gz OJDKILIUJJPCTC-UHFFFAOYSA-N -1 0 344.436 3.916 20 0 EHADRM C[C@@H](C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1)c1cccs1 ZINC000736218852 600373519 /nfs/dbraw/zinc/37/35/19/600373519.db2.gz DAULJJYETYGONJ-MRVPVSSYSA-N -1 0 347.421 3.640 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)CC/C=C\c1ccccc1 ZINC000675948035 600373590 /nfs/dbraw/zinc/37/35/90/600373590.db2.gz WYRIIPQJMGYRSC-XFFZJAGNSA-N -1 0 337.419 3.984 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)CC/C=C\c2ccccc2)cc1 ZINC000739740418 600377142 /nfs/dbraw/zinc/37/71/42/600377142.db2.gz SCMLOGUKOVSOIA-YWEYNIOJSA-N -1 0 339.391 3.972 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H](C)c2cccs2)cc1 ZINC000237349002 600377578 /nfs/dbraw/zinc/37/75/78/600377578.db2.gz WGGBYYHZOARMGZ-SMDDNHRTSA-N -1 0 349.477 3.906 20 0 EHADRM O=C([O-])[C@H](Sc1nnc(Cc2ccccc2F)o1)c1ccccc1 ZINC000738523203 600379099 /nfs/dbraw/zinc/37/90/99/600379099.db2.gz AGRGVQARDMNTRO-OAHLLOKOSA-N -1 0 344.367 3.718 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)CCc1ccc(C)cc1)c1ccccc1 ZINC000736845331 600379818 /nfs/dbraw/zinc/37/98/18/600379818.db2.gz ATFGUGDHUHYVQR-SFHVURJKSA-N -1 0 325.408 3.824 20 0 EHADRM CCc1nc([C@H](C)NC(=O)Nc2cccc(C(=O)[O-])c2C)cs1 ZINC000737276684 600380268 /nfs/dbraw/zinc/38/02/68/600380268.db2.gz NBFAILWPQUGGMK-JTQLQIEISA-N -1 0 333.413 3.595 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2coc(-c3ccccc3)n2)c1 ZINC000740072264 600380401 /nfs/dbraw/zinc/38/04/01/600380401.db2.gz JXVNLBHOJXRFPU-UHFFFAOYSA-N -1 0 342.738 3.946 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cc2cc(F)ccc2o1)c1ccccc1 ZINC000238174187 600380809 /nfs/dbraw/zinc/38/08/09/600380809.db2.gz BBVGCPSISKONJE-CQSZACIVSA-N -1 0 327.311 3.518 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cc2cc(F)ccc2o1 ZINC000237066274 600381785 /nfs/dbraw/zinc/38/17/85/600381785.db2.gz HVWDPOXEEPFONK-UHFFFAOYSA-N -1 0 327.311 3.542 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)/C=C/c2ccnc3ccccc23)cc1 ZINC000191019027 600382787 /nfs/dbraw/zinc/38/27/87/600382787.db2.gz ZVAWDGSLFUJBLJ-DHZHZOJOSA-N -1 0 346.386 3.904 20 0 EHADRM CC[C@](NC(=O)c1cc2cc(F)ccc2o1)(C(=O)[O-])c1ccccc1 ZINC000574892805 600383755 /nfs/dbraw/zinc/38/37/55/600383755.db2.gz WVZGNBOCIUKJFN-LJQANCHMSA-N -1 0 341.338 3.692 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@@H](C)c1ccc(OC)cc1)c1ccccc1 ZINC000736847521 600384545 /nfs/dbraw/zinc/38/45/45/600384545.db2.gz LJJJREKUIXSNIM-KSSFIOAISA-N -1 0 341.407 3.695 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CCC[C@H]2c2ccccc2)ccc1F ZINC000740090493 600384673 /nfs/dbraw/zinc/38/46/73/600384673.db2.gz RESQHFBAIMQPPO-INIZCTEOSA-N -1 0 328.343 3.893 20 0 EHADRM CC(=CC(=O)NCCc1ccc(NC(=O)[O-])cc1)c1cccc(F)c1 ZINC000736121204 600385060 /nfs/dbraw/zinc/38/50/60/600385060.db2.gz PWWDZAOPBYBMJQ-ACCUITESSA-N -1 0 342.370 3.678 20 0 EHADRM CCSc1cc(C(=O)N(c2ccccc2)[C@@H](CC)C(=O)[O-])ccn1 ZINC000737232054 600386244 /nfs/dbraw/zinc/38/62/44/600386244.db2.gz WDRAPRBGOUARSY-HNNXBMFYSA-N -1 0 344.436 3.704 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1ccc2ncccc2c1)c1ccccc1 ZINC000736850411 600386611 /nfs/dbraw/zinc/38/66/11/600386611.db2.gz HEQOVYKGHVTHCQ-GOSISDBHSA-N -1 0 334.375 3.745 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@@H](C)Cc1ccc(F)cc1)c1ccccc1 ZINC000736848041 600388108 /nfs/dbraw/zinc/38/81/08/600388108.db2.gz LOWKNKQARCRWJC-KSSFIOAISA-N -1 0 343.398 3.901 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1cc(F)ccc1F ZINC000736649558 600391159 /nfs/dbraw/zinc/39/11/59/600391159.db2.gz SHZFQFMABDGMHN-MRVPVSSYSA-N -1 0 338.285 3.685 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)C[C@H]2C=CCC2)cc1 ZINC000236610700 600392202 /nfs/dbraw/zinc/39/22/02/600392202.db2.gz WEYGDWOIVNWKPD-YOEHRIQHSA-N -1 0 329.440 3.972 20 0 EHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)C2CCSCC2)cc1 ZINC000262819036 600392477 /nfs/dbraw/zinc/39/24/77/600392477.db2.gz VQDVYTDBPHFBBA-MRXNPFEDSA-N -1 0 349.496 3.759 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCC[C@H]2c2cccs2)c(F)c1 ZINC000740145674 600397948 /nfs/dbraw/zinc/39/79/48/600397948.db2.gz DRQWSQFZVGBAKA-ZDUSSCGKSA-N -1 0 334.372 3.954 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCc2cc3c(s2)CCCC3)c(F)c1 ZINC000739437003 600398838 /nfs/dbraw/zinc/39/88/38/600398838.db2.gz ZFAYDBNMFGGXMB-UHFFFAOYSA-N -1 0 348.399 3.786 20 0 EHADRM Cc1ccc([C@H]2CCCCCN2C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)o1 ZINC000738264212 600417555 /nfs/dbraw/zinc/41/75/55/600417555.db2.gz LDDBITCQKIXBGR-CQSZACIVSA-N -1 0 344.411 3.989 20 0 EHADRM COc1ccc(CCCCCC(=O)Nc2cc(C(=O)[O-])ccn2)cc1 ZINC000737992228 600424451 /nfs/dbraw/zinc/42/44/51/600424451.db2.gz KUHLVKYKLJHJAG-UHFFFAOYSA-N -1 0 342.395 3.530 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)c2ncoc2-c2ccccc2)cc1 ZINC000737336329 600426929 /nfs/dbraw/zinc/42/69/29/600426929.db2.gz PUKQYPDYKKJBLX-UHFFFAOYSA-N -1 0 337.335 3.708 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)C[C@@H]1CCc2ccccc2C1 ZINC000738964329 600437272 /nfs/dbraw/zinc/43/72/72/600437272.db2.gz SVBGMDMTBMPWEH-CYBMUJFWSA-N -1 0 328.364 3.525 20 0 EHADRM O=C([O-])[C@H](OC(=O)CCc1c[nH]c2ccccc12)c1ccc(F)cc1 ZINC000739252911 600442543 /nfs/dbraw/zinc/44/25/43/600442543.db2.gz YCNUDJBRCQYWPP-GOSISDBHSA-N -1 0 341.338 3.609 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000740291307 600444527 /nfs/dbraw/zinc/44/45/27/600444527.db2.gz ZLGSVVHKPZEZPT-CYBMUJFWSA-N -1 0 326.682 3.601 20 0 EHADRM Cc1ccc(OCCC(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)cc1C ZINC000738643230 600449349 /nfs/dbraw/zinc/44/93/49/600449349.db2.gz KVADBRGTMUXMTM-SFHVURJKSA-N -1 0 346.354 3.581 20 0 EHADRM O=C([O-])[C@H](OC(=O)CCc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000739260124 600449688 /nfs/dbraw/zinc/44/96/88/600449688.db2.gz FOAHGVJSYVLJTQ-MRXNPFEDSA-N -1 0 336.746 3.781 20 0 EHADRM CC(C)[C@@H](CNC(=O)CCC(=O)[O-])Cc1ccc(Cl)cc1Cl ZINC000736354723 600449882 /nfs/dbraw/zinc/44/98/82/600449882.db2.gz ZYVOJGIYVUCFBT-GFCCVEGCSA-N -1 0 346.254 3.789 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)[C@H]2Cc3ccccc3O2)s1 ZINC000736294006 600450524 /nfs/dbraw/zinc/45/05/24/600450524.db2.gz INGMYNATPGHGQQ-CYBMUJFWSA-N -1 0 345.420 3.686 20 0 EHADRM O=C([O-])[C@@H](OC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(F)cc1 ZINC000740290911 600452541 /nfs/dbraw/zinc/45/25/41/600452541.db2.gz WVOOQRIIIWDIKT-GVXVVHGQSA-N -1 0 348.292 3.863 20 0 EHADRM CC[C@@H](NC(=O)Nc1cccc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC000736913952 600454029 /nfs/dbraw/zinc/45/40/29/600454029.db2.gz JOQXDYMAPFFCAZ-OAHLLOKOSA-N -1 0 334.322 3.936 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738756184 600457973 /nfs/dbraw/zinc/45/79/73/600457973.db2.gz IBWDOCDGGFDGMM-SCLBCKFNSA-N -1 0 330.355 3.997 20 0 EHADRM Cc1[nH]c(C(=O)N[C@H](c2ccccc2C)C(C)C)c(C)c1C(=O)[O-] ZINC000738757495 600461065 /nfs/dbraw/zinc/46/10/65/600461065.db2.gz AWVNOFWADYPJIA-INIZCTEOSA-N -1 0 328.412 3.765 20 0 EHADRM Cc1ncc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c(C(C)C)n1 ZINC000685019964 600467911 /nfs/dbraw/zinc/46/79/11/600467911.db2.gz JFXMUYVCMMONPI-UHFFFAOYSA-N -1 0 333.775 3.512 20 0 EHADRM C[C@H](OC(=O)C[C@@H]1CCOc2ccccc21)c1ccc(C(=O)[O-])cc1 ZINC000738228318 600471858 /nfs/dbraw/zinc/47/18/58/600471858.db2.gz RHUKRRCYZUFVQW-BBRMVZONSA-N -1 0 340.375 3.945 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccnc3ccccc32)cc1Cl ZINC000322668349 600476900 /nfs/dbraw/zinc/47/69/00/600476900.db2.gz CZDRNTSDFNOTHE-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000237027274 600477740 /nfs/dbraw/zinc/47/77/40/600477740.db2.gz OQAHRXSYQFWNMK-UHFFFAOYSA-N -1 0 349.333 3.694 20 0 EHADRM C[C@H]1CCCC[C@H]1OCC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000237566346 600479319 /nfs/dbraw/zinc/47/93/19/600479319.db2.gz PMEJJMWTRVXGRD-IINYFYTJSA-N -1 0 325.792 3.572 20 0 EHADRM Cc1cccc(O[C@H](C)C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000237516658 600480053 /nfs/dbraw/zinc/48/00/53/600480053.db2.gz BHFSEBBLTSKHLM-LLVKDONJSA-N -1 0 333.771 3.753 20 0 EHADRM Cc1cc(NC(=O)N2CCc3cc(F)ccc3[C@H]2C)ccc1C(=O)[O-] ZINC000738437522 600481424 /nfs/dbraw/zinc/48/14/24/600481424.db2.gz NJRUJEKZMUBAMW-GFCCVEGCSA-N -1 0 342.370 3.984 20 0 EHADRM CCCn1ccc2cc(NC(=O)NCCCCCC(=O)[O-])ccc21 ZINC000417750164 600481956 /nfs/dbraw/zinc/48/19/56/600481956.db2.gz KEJBMPQKYDOLHA-UHFFFAOYSA-N -1 0 331.416 3.818 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)NCCCCCC(=O)[O-])C1 ZINC000414604867 600489624 /nfs/dbraw/zinc/48/96/24/600489624.db2.gz BLWNUVJFQGJTMX-HZPDHXFCSA-N -1 0 332.444 3.527 20 0 EHADRM CC(C)[C@H](NC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)C(=O)[O-] ZINC000236771860 600489817 /nfs/dbraw/zinc/48/98/17/600489817.db2.gz GCDHHHDVXFWALA-INIZCTEOSA-N -1 0 349.333 3.596 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)N[C@H](c2ccccc2)C2CCCCC2)C1 ZINC000739574262 600490552 /nfs/dbraw/zinc/49/05/52/600490552.db2.gz ZLSJTXRWPBOKDQ-ZWKOTPCHSA-N -1 0 344.455 3.814 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC000736904117 600493751 /nfs/dbraw/zinc/49/37/51/600493751.db2.gz PWWCFHARMORJCJ-HKUYNNGSSA-N -1 0 339.435 3.548 20 0 EHADRM C[C@@H]1CCC[C@@H](N(C)C(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000736776445 600498674 /nfs/dbraw/zinc/49/86/74/600498674.db2.gz QYUQTLIGKHNPBP-CZUORRHYSA-N -1 0 333.432 3.539 20 0 EHADRM C[C@@H]1CCC[C@H](N(C)C(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000736776444 600498792 /nfs/dbraw/zinc/49/87/92/600498792.db2.gz QYUQTLIGKHNPBP-CJNGLKHVSA-N -1 0 333.432 3.539 20 0 EHADRM C[C@@H](NC(=O)c1ccccc1NC(=O)[O-])c1nc2ccccc2s1 ZINC000736658606 600502271 /nfs/dbraw/zinc/50/22/71/600502271.db2.gz LQEQJVXPVNBXTR-SNVBAGLBSA-N -1 0 341.392 3.877 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NCCOC1CCCCCC1 ZINC000738535773 600502422 /nfs/dbraw/zinc/50/24/22/600502422.db2.gz PRKUSBSCBIYRKZ-UHFFFAOYSA-N -1 0 334.416 3.554 20 0 EHADRM CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000736250939 600505643 /nfs/dbraw/zinc/50/56/43/600505643.db2.gz MWCUIXNOWBQRQE-SWLSCSKDSA-N -1 0 349.431 3.739 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)Oc1cc(Cl)ccc1C(=O)[O-] ZINC000736628529 600511040 /nfs/dbraw/zinc/51/10/40/600511040.db2.gz ZCUCODOQTBWJBZ-JTQLQIEISA-N -1 0 336.746 3.962 20 0 EHADRM Cc1csc(-c2cccc(C(=O)N(CCC(=O)[O-])CC(C)C)c2)n1 ZINC000236757563 600524113 /nfs/dbraw/zinc/52/41/13/600524113.db2.gz GOVPRYNGYUNCNP-UHFFFAOYSA-N -1 0 346.452 3.691 20 0 EHADRM CCN(C(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1C(=O)[O-] ZINC000737061211 600524717 /nfs/dbraw/zinc/52/47/17/600524717.db2.gz AIGUFYKSVLWGCB-UHFFFAOYSA-N -1 0 339.178 3.753 20 0 EHADRM CCN(C(=O)CCOc1cc(C)cc(C)c1)c1ccccc1C(=O)[O-] ZINC000737053760 600524729 /nfs/dbraw/zinc/52/47/29/600524729.db2.gz RMJQETJECFEKIA-UHFFFAOYSA-N -1 0 341.407 3.824 20 0 EHADRM CS[C@H](C(=O)Nc1ccc(N(C)C(=O)[O-])cc1)c1ccccc1 ZINC000738141836 600525409 /nfs/dbraw/zinc/52/54/09/600525409.db2.gz IIDLTIZITQQYKE-HNNXBMFYSA-N -1 0 330.409 3.844 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)o1 ZINC000739438451 600527276 /nfs/dbraw/zinc/52/72/76/600527276.db2.gz XWQJFUDSSGPQKH-HNNXBMFYSA-N -1 0 348.786 3.582 20 0 EHADRM CCCCN(CC)c1ccc(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)cc1 ZINC000736993969 600529503 /nfs/dbraw/zinc/52/95/03/600529503.db2.gz LYPFAZQQWYTZMH-INIZCTEOSA-N -1 0 334.460 3.542 20 0 EHADRM Cc1[nH]c(C(=O)Nc2ccc3nn(C(C)C)cc3c2)c(C)c1C(=O)[O-] ZINC000738157541 600538263 /nfs/dbraw/zinc/53/82/63/600538263.db2.gz SVBLIJGGNAIDBR-UHFFFAOYSA-N -1 0 340.383 3.513 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cc(C3CCCCCC3)[nH]n2)s1 ZINC000740114911 600540107 /nfs/dbraw/zinc/54/01/07/600540107.db2.gz OKCBCPUNXOFMIC-UHFFFAOYSA-N -1 0 333.413 3.860 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCc2cccc(Cl)c2)cc([N+](=O)[O-])c1 ZINC000237995483 600543146 /nfs/dbraw/zinc/54/31/46/600543146.db2.gz KPPUNFMRIJWJGZ-UHFFFAOYSA-N -1 0 348.742 3.518 20 0 EHADRM CCCc1c(C(=O)N2CC3(CC3)c3ccccc32)[nH]c(C)c1C(=O)[O-] ZINC000737041434 600550715 /nfs/dbraw/zinc/55/07/15/600550715.db2.gz NIHIOIHSLCRGDG-UHFFFAOYSA-N -1 0 338.407 3.666 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000262378786 600560927 /nfs/dbraw/zinc/56/09/27/600560927.db2.gz GRJWLYKBKVWJOH-UHFFFAOYSA-N -1 0 345.420 3.633 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)/C=C\c1cccc(OC2CCCC2)c1 ZINC000736460999 600562917 /nfs/dbraw/zinc/56/29/17/600562917.db2.gz JLBZUWUKPBEBOD-KHPPLWFESA-N -1 0 345.439 3.733 20 0 EHADRM CCCCC[C@H](NC(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000736983265 600564186 /nfs/dbraw/zinc/56/41/86/600564186.db2.gz DEDXZIAABTZJND-KRWDZBQOSA-N -1 0 332.444 3.814 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000740046745 600566783 /nfs/dbraw/zinc/56/67/83/600566783.db2.gz XTRDNIBZUFEBCF-UHFFFAOYSA-N -1 0 338.285 3.725 20 0 EHADRM CCn1cc(C(=O)Oc2ccc(C(=O)[O-])cc2OC)c2ccccc21 ZINC000737302088 600570734 /nfs/dbraw/zinc/57/07/34/600570734.db2.gz MUZZXZZOHPYMRL-UHFFFAOYSA-N -1 0 339.347 3.587 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)NCCc1ccc2ccccc2c1 ZINC000740044914 600571270 /nfs/dbraw/zinc/57/12/70/600571270.db2.gz BFJSWKJIOQCISW-UHFFFAOYSA-N -1 0 334.375 3.902 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)NCc1cc2c(s1)CCCC2 ZINC000740045326 600572011 /nfs/dbraw/zinc/57/20/11/600572011.db2.gz HZDKSCHIXXUDKY-UHFFFAOYSA-N -1 0 330.409 3.647 20 0 EHADRM C[C@@H]1C[C@@H](CC(=O)NCc2cccc(OCC(=O)[O-])c2)CC(C)(C)C1 ZINC000237563382 600574615 /nfs/dbraw/zinc/57/46/15/600574615.db2.gz DXJLJYQAGFOFGT-ZBFHGGJFSA-N -1 0 347.455 3.619 20 0 EHADRM Cc1c(Cl)cccc1OCC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000738291003 600584288 /nfs/dbraw/zinc/58/42/88/600584288.db2.gz NXTJKOIFLYKRHB-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM Cc1c(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cccc1C(=O)[O-] ZINC000322386071 600584384 /nfs/dbraw/zinc/58/43/84/600584384.db2.gz OSMZBPBQHWCESY-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM C[C@H](CC(=O)[O-])SC[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000736553083 600585221 /nfs/dbraw/zinc/58/52/21/600585221.db2.gz RUZVMBHHWMWFPT-PBHICJAKSA-N -1 0 346.448 3.690 20 0 EHADRM CC(C)c1ccccc1OCCNC(=O)c1ccccc1NC(=O)[O-] ZINC000736524038 600590386 /nfs/dbraw/zinc/59/03/86/600590386.db2.gz ZELMFZVIXSUNRN-UHFFFAOYSA-N -1 0 342.395 3.709 20 0 EHADRM CC(C)Cc1ccc(C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000736454234 600596921 /nfs/dbraw/zinc/59/69/21/600596921.db2.gz SFWZCNIEBOHUHW-GOSISDBHSA-N -1 0 325.408 3.783 20 0 EHADRM CN(C(=O)Cc1ccc2ccccc2c1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737326013 600597346 /nfs/dbraw/zinc/59/73/46/600597346.db2.gz RZWFSEQURBZPQQ-FQEVSTJZSA-N -1 0 333.387 3.667 20 0 EHADRM C[C@H](CSC[C@H](O)COc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000736614171 600598727 /nfs/dbraw/zinc/59/87/27/600598727.db2.gz TWTGBHOCQWAEAE-RHSMWYFYSA-N -1 0 346.448 3.547 20 0 EHADRM Cc1ccc(C(=O)NC[C@H](Cc2cccc3ccccc32)C(=O)[O-])cc1 ZINC000533710371 600599287 /nfs/dbraw/zinc/59/92/87/600599287.db2.gz VDYJVCAAMRLJOY-IBGZPJMESA-N -1 0 347.414 3.822 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)[C@H]1CC=CCC1)Cc1cccc2ccccc21 ZINC000262848954 600600140 /nfs/dbraw/zinc/60/01/40/600600140.db2.gz UXWQHZJBACPPMM-FUHWJXTLSA-N -1 0 337.419 3.556 20 0 EHADRM CN(C(=O)c1cc(Cl)ccc1Cl)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737333844 600600944 /nfs/dbraw/zinc/60/09/44/600600944.db2.gz PCYHGYNMMVMLLZ-CQSZACIVSA-N -1 0 338.190 3.891 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1ccsc1)Cc1ccc2ccccc2c1 ZINC000238191983 600604423 /nfs/dbraw/zinc/60/44/23/600604423.db2.gz AHTVHKMDLXZKEF-QGZVFWFLSA-N -1 0 339.416 3.575 20 0 EHADRM C[C@@H](CSCC(=O)N(Cc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000736621160 600605890 /nfs/dbraw/zinc/60/58/90/600605890.db2.gz ZGHRCALHSXMAEG-HNNXBMFYSA-N -1 0 343.448 3.674 20 0 EHADRM O=C([O-])CN(C(=O)c1cnc(-c2ccccc2)s1)c1ccccc1 ZINC000156344938 600605990 /nfs/dbraw/zinc/60/59/90/600605990.db2.gz AZFYWKBSVBUAFF-UHFFFAOYSA-N -1 0 338.388 3.542 20 0 EHADRM O=C([O-])CN(C(=O)CCCc1c[nH]c2ccccc12)c1ccccc1 ZINC000327343551 600606443 /nfs/dbraw/zinc/60/64/43/600606443.db2.gz BXEWBDFXKFNWJK-UHFFFAOYSA-N -1 0 336.391 3.608 20 0 EHADRM CCCCC(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)[O-] ZINC000736974716 600607606 /nfs/dbraw/zinc/60/76/06/600607606.db2.gz MSHKVZXPBLBPNL-UHFFFAOYSA-N -1 0 332.227 3.639 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C[C@H]1CCc2ccccc21)c1cccs1 ZINC000675950421 600607642 /nfs/dbraw/zinc/60/76/42/600607642.db2.gz HNOMNEFKXJCATP-UKRRQHHQSA-N -1 0 329.421 3.500 20 0 EHADRM CC(F)(F)CCC(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000736630536 600607935 /nfs/dbraw/zinc/60/79/35/600607935.db2.gz ZHWOSNTVGBBHOZ-INIZCTEOSA-N -1 0 349.377 3.635 20 0 EHADRM C[C@@H](CC(=O)N[C@](C)(C(=O)[O-])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000237524087 600612019 /nfs/dbraw/zinc/61/20/19/600612019.db2.gz AWPUYEKYKRAVCW-QFYYESIMSA-N -1 0 343.345 3.569 20 0 EHADRM C[C@@](NC(=O)c1ccc(-c2ccccc2Cl)o1)(C(=O)[O-])C1CC1 ZINC000237728916 600613417 /nfs/dbraw/zinc/61/34/17/600613417.db2.gz FDZFFYZOTHDWIK-KRWDZBQOSA-N -1 0 333.771 3.583 20 0 EHADRM C[C@@](NC(=O)c1ccc(-c2ccc(F)cc2)s1)(C(=O)[O-])C1CC1 ZINC000237728827 600615423 /nfs/dbraw/zinc/61/54/23/600615423.db2.gz OXRLCWHCFVBPFY-KRWDZBQOSA-N -1 0 333.384 3.537 20 0 EHADRM C[C@@H](CC(=O)Nc1cccc(CSCC(=O)[O-])c1)c1cccnc1 ZINC000736548350 600617131 /nfs/dbraw/zinc/61/71/31/600617131.db2.gz KVQLRLSGHKOARD-ZDUSSCGKSA-N -1 0 344.436 3.532 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)[C@H](Cc1ccccc1)C(C)C ZINC000738964692 600618869 /nfs/dbraw/zinc/61/88/69/600618869.db2.gz VUNOQXGUHRIIHO-MRXNPFEDSA-N -1 0 330.380 3.844 20 0 EHADRM O=C([O-])c1cccc(COC(=O)Cc2c[nH]c3ccc(Cl)cc23)c1 ZINC000739338604 600619801 /nfs/dbraw/zinc/61/98/01/600619801.db2.gz LFKPBPGOGLORQY-UHFFFAOYSA-N -1 0 343.766 3.805 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000738114654 600621390 /nfs/dbraw/zinc/62/13/90/600621390.db2.gz ALVFYJWUAWDFGU-UHFFFAOYSA-N -1 0 347.798 3.963 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCc3c(Cl)cccc3C2)cc1 ZINC000738683462 600623836 /nfs/dbraw/zinc/62/38/36/600623836.db2.gz NGKSUFVVMRGKOF-UHFFFAOYSA-N -1 0 330.771 3.628 20 0 EHADRM CCOc1ccc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1OC ZINC000325841176 600624512 /nfs/dbraw/zinc/62/45/12/600624512.db2.gz YLRLRPXBJBXGRY-UHFFFAOYSA-N -1 0 349.770 3.698 20 0 EHADRM O=C([O-])c1cc(NC(=O)NC2(c3cccc(F)c3)CC2)ccc1Cl ZINC000738511973 600625025 /nfs/dbraw/zinc/62/50/25/600625025.db2.gz PESHRDVSAORZJV-UHFFFAOYSA-N -1 0 348.761 3.988 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCCc2cc3ccccc3o2)c(F)c1 ZINC000739430102 600626821 /nfs/dbraw/zinc/62/68/21/600626821.db2.gz NEEFOKVXWRWVSZ-UHFFFAOYSA-N -1 0 342.326 3.634 20 0 EHADRM Cc1cc(OCC(=O)Nc2cc(Cl)ccc2C)c(C(=O)[O-])s1 ZINC000315505607 600639363 /nfs/dbraw/zinc/63/93/63/600639363.db2.gz YQSYLSZLSOARSN-UHFFFAOYSA-N -1 0 339.800 3.734 20 0 EHADRM O=C([O-])c1cccc(OCCSC[C@H]2OCCc3ccccc32)c1 ZINC000740232072 600640233 /nfs/dbraw/zinc/64/02/33/600640233.db2.gz PIDTVXMSOQKLMB-GOSISDBHSA-N -1 0 344.432 3.811 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1cccc(Nc2ccccc2)c1)C(=O)[O-] ZINC000736243341 600643294 /nfs/dbraw/zinc/64/32/94/600643294.db2.gz BVRWEYTVCHDVSP-MRXNPFEDSA-N -1 0 326.396 3.659 20 0 EHADRM CC(C)(C)[C@H](NC(=O)CCCSc1ccc(Cl)cc1)C(=O)[O-] ZINC000314355840 600645494 /nfs/dbraw/zinc/64/54/94/600645494.db2.gz VSWNLQDLOCBNMA-CQSZACIVSA-N -1 0 343.876 3.828 20 0 EHADRM CSc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000681679706 600659916 /nfs/dbraw/zinc/65/99/16/600659916.db2.gz PIPFWEXHHGVXAM-NSHDSACASA-N -1 0 331.393 3.513 20 0 EHADRM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)Nc2nc(CC(=O)[O-])cs2)cc1 ZINC000236846426 600661152 /nfs/dbraw/zinc/66/11/52/600661152.db2.gz JYFNKZGVWUXPPI-CABCVRRESA-N -1 0 344.436 3.636 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)C1 ZINC000245708949 600661734 /nfs/dbraw/zinc/66/17/34/600661734.db2.gz MYYKOSJWSPOWGY-IIDMSEBBSA-N -1 0 327.424 3.556 20 0 EHADRM Cc1ccccc1-c1cnc(CN(C)[C@H](C(=O)[O-])c2ccccc2)o1 ZINC000738749164 600672895 /nfs/dbraw/zinc/67/28/95/600672895.db2.gz GBSIPXJSYQOVKR-IBGZPJMESA-N -1 0 336.391 3.908 20 0 EHADRM CC(C)[C@@H](C)C(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000826677616 600676385 /nfs/dbraw/zinc/67/63/85/600676385.db2.gz VVWZBGUSMTTWKH-LLVKDONJSA-N -1 0 333.409 3.844 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC[C@@H](O)c1cc(C)cc(C)c1 ZINC000831976620 600682784 /nfs/dbraw/zinc/68/27/84/600682784.db2.gz NJECKFDAQUZELZ-QQOXCAACSA-N -1 0 342.391 3.522 20 0 EHADRM Cc1cc(S(=O)(=O)Oc2ccc3ccccc3c2)ccc1C(=O)[O-] ZINC000738477880 600686632 /nfs/dbraw/zinc/68/66/32/600686632.db2.gz IBUSMHDVFJZWIZ-UHFFFAOYSA-N -1 0 342.372 3.614 20 0 EHADRM CC(C)(C)c1csc(-c2cccc(OC(=O)[C@@H]3C[C@@H]3C(=O)[O-])c2)n1 ZINC000736298594 600690751 /nfs/dbraw/zinc/69/07/51/600690751.db2.gz BUSZLRBXZZJIGV-QWHCGFSZSA-N -1 0 345.420 3.734 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)cc1 ZINC000833315686 600695776 /nfs/dbraw/zinc/69/57/76/600695776.db2.gz VPCOUZGCZPXGNU-HIFRSBDPSA-N -1 0 332.302 3.510 20 0 EHADRM O=C([O-])c1cccc(-c2noc(CCCOc3ccc(F)cc3)n2)c1 ZINC000833327772 600696059 /nfs/dbraw/zinc/69/60/59/600696059.db2.gz FWLCSJQVACHQKX-UHFFFAOYSA-N -1 0 342.326 3.586 20 0 EHADRM O=C([O-])c1cccc(-c2noc(CCSc3ccccc3F)n2)c1 ZINC000833327844 600698520 /nfs/dbraw/zinc/69/85/20/600698520.db2.gz ISPPLRUUKLINGI-UHFFFAOYSA-N -1 0 344.367 3.909 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@H]2C[C@]23CCCc2ccccc23)cc1 ZINC000262258306 600702270 /nfs/dbraw/zinc/70/22/70/600702270.db2.gz FVMWTDDKXZMBTG-NQIIRXRSSA-N -1 0 335.403 3.546 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)Nc2cccc(C(=O)[O-])c2O)c1 ZINC000826647349 600706434 /nfs/dbraw/zinc/70/64/34/600706434.db2.gz DIUHMKGOSNEIQP-UHFFFAOYSA-N -1 0 341.363 3.688 20 0 EHADRM Cc1cncc(C(=O)OCc2c(C(=O)[O-])sc3cccc(F)c32)c1 ZINC000832987225 600714680 /nfs/dbraw/zinc/71/46/80/600714680.db2.gz ZCKFOFPQHLUMMV-UHFFFAOYSA-N -1 0 345.351 3.799 20 0 EHADRM C[C@@H](OC(=O)[C@@H](C)CCc1ccccc1F)c1ccc(C(=O)[O-])o1 ZINC000827427583 600721437 /nfs/dbraw/zinc/72/14/37/600721437.db2.gz LGLMFFGOKMXPCA-NWDGAFQWSA-N -1 0 334.343 3.990 20 0 EHADRM C[C@H](C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl)C(F)(F)F ZINC000826061234 600725492 /nfs/dbraw/zinc/72/54/92/600725492.db2.gz GVSVJMAVPPFKHK-ANLVUFKYSA-N -1 0 345.100 3.861 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@H]2SCCc3sccc32)cc1 ZINC000833315960 600727335 /nfs/dbraw/zinc/72/73/35/600727335.db2.gz MRGVCGOGJWHHQX-AWEZNQCLSA-N -1 0 334.418 3.520 20 0 EHADRM O=C([O-])[C@@H](NCc1ccc(Br)s1)c1ccccc1F ZINC000426805881 600736290 /nfs/dbraw/zinc/73/62/90/600736290.db2.gz GRDLHVLBRFUALJ-LBPRGKRZSA-N -1 0 344.205 3.565 20 0 EHADRM CC(C)C[C@@H]1CCCCCN1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000736423692 600741700 /nfs/dbraw/zinc/74/17/00/600741700.db2.gz BFYJRJQKOIHWQB-INIZCTEOSA-N -1 0 348.443 3.973 20 0 EHADRM C[C@H](CCOc1ccccc1)C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000827422054 600741790 /nfs/dbraw/zinc/74/17/90/600741790.db2.gz JJESEGBXFRKCMM-CYBMUJFWSA-N -1 0 346.354 3.672 20 0 EHADRM CC(C)(CCCc1ccccc1)CNC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000736320400 600750021 /nfs/dbraw/zinc/75/00/21/600750021.db2.gz RAVBXUCMHXDLHX-KRWDZBQOSA-N -1 0 346.471 3.542 20 0 EHADRM CCO[C@H]1C[C@@H](OC(=O)c2ccc(NC(=O)[O-])cc2)C12CCCC2 ZINC000737164235 600757182 /nfs/dbraw/zinc/75/71/82/600757182.db2.gz BSCCJDANQPECGC-LSDHHAIUSA-N -1 0 333.384 3.671 20 0 EHADRM CCC(CC)(C(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000236870468 600784351 /nfs/dbraw/zinc/78/43/51/600784351.db2.gz LLOJRWJZQBJOJC-UHFFFAOYSA-N -1 0 339.435 3.802 20 0 EHADRM Cc1ccc(NC(=O)C(C)(C)NC(=O)[O-])cc1OCC1CCCCC1 ZINC000738616182 600784706 /nfs/dbraw/zinc/78/47/06/600784706.db2.gz OCADAJVSMONECI-UHFFFAOYSA-N -1 0 348.443 3.939 20 0 EHADRM C[C@@H]1CC[C@H](CCC(=O)Nc2cc3ccccc3cc2C(=O)[O-])O1 ZINC000237540788 600786557 /nfs/dbraw/zinc/78/65/57/600786557.db2.gz AXWZIMJPODWAOK-IUODEOHRSA-N -1 0 327.380 3.824 20 0 EHADRM C[C@H]1CC[C@@H](CCC(=O)Nc2cc3ccccc3cc2C(=O)[O-])O1 ZINC000237705837 600786823 /nfs/dbraw/zinc/78/68/23/600786823.db2.gz AXWZIMJPODWAOK-WFASDCNBSA-N -1 0 327.380 3.824 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc2[nH]ccc2c1)c1cccc(Cl)c1 ZINC000776675664 600801784 /nfs/dbraw/zinc/80/17/84/600801784.db2.gz URGOEDCGJSGXRJ-INIZCTEOSA-N -1 0 342.782 3.767 20 0 EHADRM Cc1ccc(OC(=O)[C@@H](C)CCOc2ccccc2)c(C(=O)[O-])c1 ZINC000832953326 600802007 /nfs/dbraw/zinc/80/20/07/600802007.db2.gz RJVBGYLZVUEPLG-AWEZNQCLSA-N -1 0 328.364 3.704 20 0 EHADRM Cc1ccc(C)c(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000776674442 600806749 /nfs/dbraw/zinc/80/67/49/600806749.db2.gz KEMAGQWDWMHZLF-INIZCTEOSA-N -1 0 331.799 3.903 20 0 EHADRM C[C@@H](OC(=O)c1ccc(Oc2ccc(C(C)(C)C)cc2)nc1)C(=O)[O-] ZINC000736686989 600806928 /nfs/dbraw/zinc/80/69/28/600806928.db2.gz BNQHCTWVEKWGCU-GFCCVEGCSA-N -1 0 343.379 3.801 20 0 EHADRM Cc1ccc(N2CC[C@@H](SCc3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000738615500 600817826 /nfs/dbraw/zinc/81/78/26/600817826.db2.gz OJWDWLNGMGIRPG-QGZVFWFLSA-N -1 0 341.432 3.732 20 0 EHADRM CC/C(=C\C(=O)N1CCCC[C@@H]1CC(=O)[O-])c1cccc(Cl)c1 ZINC000828550220 600818235 /nfs/dbraw/zinc/81/82/35/600818235.db2.gz SSGTVYMFDHSRQY-SICOMBFOSA-N -1 0 335.831 3.989 20 0 EHADRM C[C@H]1CCCC[C@H]1NC(=S)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000736786382 600821570 /nfs/dbraw/zinc/82/15/70/600821570.db2.gz TZPRNBZDNBCQRI-SWLSCSKDSA-N -1 0 334.485 3.914 20 0 EHADRM C[C@@H]1CCCC[C@H]1NC(=S)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000736786364 600821636 /nfs/dbraw/zinc/82/16/36/600821636.db2.gz TZPRNBZDNBCQRI-IUODEOHRSA-N -1 0 334.485 3.914 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000120225037 600823300 /nfs/dbraw/zinc/82/33/00/600823300.db2.gz JMSQIVNRRVDWQU-CHWSQXEVSA-N -1 0 331.318 3.714 20 0 EHADRM CCc1cnc(CNc2nc(C)nc3sc(C(=O)[O-])c(C)c32)s1 ZINC000830295495 600824173 /nfs/dbraw/zinc/82/41/73/600824173.db2.gz RJASEWNKHYFTHN-UHFFFAOYSA-N -1 0 348.453 3.637 20 0 EHADRM CC(C)CO[C@@H](C)c1noc(CNc2cccc(NC(=O)[O-])c2)n1 ZINC000826895434 600825437 /nfs/dbraw/zinc/82/54/37/600825437.db2.gz OKKXWTCHGOIGGK-NSHDSACASA-N -1 0 334.376 3.505 20 0 EHADRM CO[C@H](CNc1nc(Cl)c(C(=O)[O-])s1)c1cccc(Cl)c1 ZINC000831526590 600826306 /nfs/dbraw/zinc/82/63/06/600826306.db2.gz JFZFFPPGIXGITA-SECBINFHSA-N -1 0 347.223 3.948 20 0 EHADRM Cc1ncsc1C=C(Cl)c1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000742431077 600828018 /nfs/dbraw/zinc/82/80/18/600828018.db2.gz HDJODMFFCOHIGZ-BJMVGYQFSA-N -1 0 347.783 3.535 20 0 EHADRM Cc1cccc2oc(CCNc3nc(Cl)c(C(=O)[O-])s3)nc21 ZINC000832973459 600828773 /nfs/dbraw/zinc/82/87/73/600828773.db2.gz CFRODRYXNYNSMO-UHFFFAOYSA-N -1 0 337.788 3.599 20 0 EHADRM CCSc1nnc(S[C@H](C(=O)[O-])c2ccccc2F)s1 ZINC000830174167 600832205 /nfs/dbraw/zinc/83/22/05/600832205.db2.gz ACOHLCMATSRPJJ-VIFPVBQESA-N -1 0 330.431 3.707 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)c1 ZINC000740042410 600834482 /nfs/dbraw/zinc/83/44/82/600834482.db2.gz IJUQRLRUFHJABG-JSGCOSHPSA-N -1 0 332.306 3.797 20 0 EHADRM O=C([O-])c1ccc(OCCOc2c(F)cccc2F)c(Cl)c1 ZINC000833322343 600835922 /nfs/dbraw/zinc/83/59/22/600835922.db2.gz LCPXJOFWIANPSL-UHFFFAOYSA-N -1 0 328.698 3.774 20 0 EHADRM Cc1cc(C(=O)[O-])c2c(=O)[nH]c(SCCC3CCCCC3)nc2n1 ZINC000832868119 600837599 /nfs/dbraw/zinc/83/75/99/600837599.db2.gz XMIARAKWGZORMY-UHFFFAOYSA-N -1 0 347.440 3.800 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2CCC[C@H](C)C2)cc1 ZINC000345996659 600838931 /nfs/dbraw/zinc/83/89/31/600838931.db2.gz OLAWVMSZBVPFJX-BJJXKVORSA-N -1 0 335.469 3.867 20 0 EHADRM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000262559702 600848825 /nfs/dbraw/zinc/84/88/25/600848825.db2.gz ZGYBAPPOROMPIR-MSOLQXFVSA-N -1 0 339.391 3.800 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000393125677 600850034 /nfs/dbraw/zinc/85/00/34/600850034.db2.gz UBSZXVJAFQFVEE-LBPRGKRZSA-N -1 0 349.308 3.924 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000237525722 600851035 /nfs/dbraw/zinc/85/10/35/600851035.db2.gz JFDWGJAMSPVPCJ-LLVKDONJSA-N -1 0 333.334 3.870 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000237329288 600851048 /nfs/dbraw/zinc/85/10/48/600851048.db2.gz IWIXDPSMEBUSRF-NSHDSACASA-N -1 0 333.334 3.870 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)CCc2cc(F)ccc2F)c2ccccc21 ZINC000739640599 600852996 /nfs/dbraw/zinc/85/29/96/600852996.db2.gz FBYWITMIZZZJSI-CYBMUJFWSA-N -1 0 345.345 3.503 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)c2cc3cc(F)ccc3o2)c2ccccc21 ZINC000739646891 600855005 /nfs/dbraw/zinc/85/50/05/600855005.db2.gz QFHAPIXDLXDREP-LBPRGKRZSA-N -1 0 339.322 3.791 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000736323405 600856688 /nfs/dbraw/zinc/85/66/88/600856688.db2.gz CCPBKMHPBLRQLX-INIZCTEOSA-N -1 0 337.419 3.860 20 0 EHADRM Cc1c(NC(=O)[C@@H](C)CC(=O)c2ccccc2F)cccc1C(=O)[O-] ZINC000832857228 600856985 /nfs/dbraw/zinc/85/69/85/600856985.db2.gz HREBWDZMNBZYFS-NSHDSACASA-N -1 0 343.354 3.680 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)CCNC(=O)[O-])c1ccc(Cl)cc1 ZINC000736250118 600864619 /nfs/dbraw/zinc/86/46/19/600864619.db2.gz DCZDBJHDXKIBBR-ZDUSSCGKSA-N -1 0 326.824 3.591 20 0 EHADRM CCc1ccc([C@@H]2CCCCN2C(=O)c2cccc(C(=O)[O-])c2)o1 ZINC000737259069 600866016 /nfs/dbraw/zinc/86/60/16/600866016.db2.gz MAPUXZWCFGJPNL-INIZCTEOSA-N -1 0 327.380 3.908 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)c2cccc(F)c2Cl)cc1 ZINC000238203590 600870229 /nfs/dbraw/zinc/87/02/29/600870229.db2.gz GIADLUXEPRCGHN-UHFFFAOYSA-N -1 0 337.734 3.585 20 0 EHADRM CCc1oc2ccccc2c1CN(C)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000183970541 600873627 /nfs/dbraw/zinc/87/36/27/600873627.db2.gz KHQSLPUIBAYYLC-UONOGXRCSA-N -1 0 343.423 3.845 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000621556566 600879635 /nfs/dbraw/zinc/87/96/35/600879635.db2.gz NVCUYBKLCCSRKU-ZDUSSCGKSA-N -1 0 341.382 3.635 20 0 EHADRM Cc1cc(NC(=O)c2cccc(-c3csc(C)n3)c2)c(C(=O)[O-])[nH]1 ZINC000832896168 600881511 /nfs/dbraw/zinc/88/15/11/600881511.db2.gz KHZJKTGLYHYSQD-UHFFFAOYSA-N -1 0 341.392 3.706 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)CSc2ccccc2)cc1 ZINC000321551968 600882002 /nfs/dbraw/zinc/88/20/02/600882002.db2.gz WIPNPTGRDMMORO-UHFFFAOYSA-N -1 0 329.421 3.780 20 0 EHADRM C/C(=C\C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)C(C)(C)C ZINC000825724287 600882746 /nfs/dbraw/zinc/88/27/46/600882746.db2.gz LWXKIPOAYJLZEY-VQHVLOKHSA-N -1 0 327.327 3.917 20 0 EHADRM C[C@H]1CCC[C@H](OCC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C1 ZINC000532264276 600883056 /nfs/dbraw/zinc/88/30/56/600883056.db2.gz JMPFCYFYMGZMCH-BBRMVZONSA-N -1 0 333.428 3.583 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2csc(C3CC3)n2)cc1 ZINC000124803349 600883690 /nfs/dbraw/zinc/88/36/90/600883690.db2.gz YVRLPFPVYLEGFS-UHFFFAOYSA-N -1 0 330.409 3.635 20 0 EHADRM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(C(=O)[O-])cc2)C12CCCCC2 ZINC000236884031 600884402 /nfs/dbraw/zinc/88/44/02/600884402.db2.gz HKSXDCXDCALYOR-DLBZAZTESA-N -1 0 345.439 3.585 20 0 EHADRM CCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc(C(=O)[O-])c2)C12CCCCC2 ZINC000236869487 600884670 /nfs/dbraw/zinc/88/46/70/600884670.db2.gz CRLJFPAXJVRLHA-IAGOWNOFSA-N -1 0 345.439 3.585 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)NCc2c(Cl)cccc2Cl)C1 ZINC000833183646 600885815 /nfs/dbraw/zinc/88/58/15/600885815.db2.gz HAWMTKHORUBBES-UWVGGRQHSA-N -1 0 330.211 3.501 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000829009367 600887872 /nfs/dbraw/zinc/88/78/72/600887872.db2.gz CPAFVVUZQVMEMR-COXVUDFISA-N -1 0 348.443 3.767 20 0 EHADRM CC[C@H](Nc1cc(Br)cc(C(F)(F)F)c1)C(=O)[O-] ZINC000088188241 600895325 /nfs/dbraw/zinc/89/53/25/600895325.db2.gz LKHBXXUYHFRCFW-VIFPVBQESA-N -1 0 326.112 3.743 20 0 EHADRM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000180114835 600896121 /nfs/dbraw/zinc/89/61/21/600896121.db2.gz DHHMPILEANTAET-RYUDHWBXSA-N -1 0 344.238 3.843 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000179964391 600896607 /nfs/dbraw/zinc/89/66/07/600896607.db2.gz SNCVVWVZHUNAFM-NWDGAFQWSA-N -1 0 339.819 3.958 20 0 EHADRM CC(C)(CNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000263549988 600904901 /nfs/dbraw/zinc/90/49/01/600904901.db2.gz VXIPDPIGGAEIJR-STQMWFEESA-N -1 0 337.847 3.625 20 0 EHADRM O=C([O-])[C@H](CNC(=O)C1CCCCCCC1)Cc1cccc(F)c1 ZINC000739498379 600906412 /nfs/dbraw/zinc/90/64/12/600906412.db2.gz LVYSTNDNFALITK-INIZCTEOSA-N -1 0 335.419 3.546 20 0 EHADRM Cc1cc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)c(C)n1C(C)C ZINC000738327472 600911906 /nfs/dbraw/zinc/91/19/06/600911906.db2.gz DJGHFPXZCQOHNR-HNNXBMFYSA-N -1 0 340.423 3.905 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)c2cc3c(cccc3F)[nH]2)c2ccccc21 ZINC000739645963 600912293 /nfs/dbraw/zinc/91/22/93/600912293.db2.gz IDIDCCBDJHRVPC-NSHDSACASA-N -1 0 338.338 3.526 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1cc(C2CC2)nc2ccccc21)C(=O)[O-] ZINC000431522533 600918671 /nfs/dbraw/zinc/91/86/71/600918671.db2.gz IMJOILLAJCBHIC-CQSZACIVSA-N -1 0 340.423 3.589 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1cc2c(ccc3ccccc23)[nH]1)C(=O)[O-] ZINC000431536354 600920059 /nfs/dbraw/zinc/92/00/59/600920059.db2.gz CEMVOCVZSHNHKV-CQSZACIVSA-N -1 0 338.407 3.798 20 0 EHADRM CSc1ccc(Cl)c(C(=O)NC[C@H](CC(C)C)C(=O)[O-])c1 ZINC000094701731 600920731 /nfs/dbraw/zinc/92/07/31/600920731.db2.gz AZEGQGFUEDOJNA-JTQLQIEISA-N -1 0 329.849 3.539 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@H]1C[C@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000539604635 600920925 /nfs/dbraw/zinc/92/09/25/600920925.db2.gz AYRITCQWTOOVTQ-MNEFBYGVSA-N -1 0 339.435 3.806 20 0 EHADRM O=C([O-])NCCC(=O)N(C1CC1)[C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000833279498 600921660 /nfs/dbraw/zinc/92/16/60/600921660.db2.gz AJNIJUJJPTZDQS-DLBZAZTESA-N -1 0 336.476 3.774 20 0 EHADRM CC(C)C[C@@H](CNC(=O)c1ccccc1Cc1ccccc1)C(=O)[O-] ZINC000486287472 600923584 /nfs/dbraw/zinc/92/35/84/600923584.db2.gz YOKNPPQIFRFIQM-SFHVURJKSA-N -1 0 339.435 3.754 20 0 EHADRM CCC(CC)(NC(=O)[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000828820523 600924214 /nfs/dbraw/zinc/92/42/14/600924214.db2.gz LEKMBDMOHSYKPC-JTQLQIEISA-N -1 0 331.334 3.569 20 0 EHADRM CCC(CC)(NC(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000342524488 600928072 /nfs/dbraw/zinc/92/80/72/600928072.db2.gz LAIOOZDVRDITCG-NSHDSACASA-N -1 0 345.361 3.644 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2-n2cccc2)C1 ZINC000833186307 600932333 /nfs/dbraw/zinc/93/23/33/600932333.db2.gz LMSAQLUFEWGWMA-OLZOCXBDSA-N -1 0 346.814 3.960 20 0 EHADRM Cn1ccc2c1cccc2C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000532263837 600933927 /nfs/dbraw/zinc/93/39/27/600933927.db2.gz UCDWHROZZWMUFG-UHFFFAOYSA-N -1 0 336.391 3.793 20 0 EHADRM C[C@H](CNC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1F ZINC000237399878 600938303 /nfs/dbraw/zinc/93/83/03/600938303.db2.gz OIJTVVZFGRFIIS-GFCCVEGCSA-N -1 0 347.361 3.516 20 0 EHADRM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)c1cccc(C(=O)[O-])c1 ZINC000826688332 600938648 /nfs/dbraw/zinc/93/86/48/600938648.db2.gz YCLIRNFBRVDVPG-GOSISDBHSA-N -1 0 343.398 3.863 20 0 EHADRM O=C([O-])c1ccccc1OC(=O)c1ccc(F)c(Br)c1 ZINC000833354446 600938711 /nfs/dbraw/zinc/93/87/11/600938711.db2.gz VLLDGJHBUWYXRB-UHFFFAOYSA-N -1 0 339.116 3.506 20 0 EHADRM O=C([O-])CCN(C(=O)[C@H]1CCCc2ccccc21)c1cccc(F)c1 ZINC000739712959 600939656 /nfs/dbraw/zinc/93/96/56/600939656.db2.gz UFYZYKADYLYSMN-SFHVURJKSA-N -1 0 341.382 3.754 20 0 EHADRM O=C([O-])c1cccc(COC(=O)[C@H]2SCCc3sccc32)c1 ZINC000833329078 600945177 /nfs/dbraw/zinc/94/51/77/600945177.db2.gz YBODYLXZQLWKKP-AWEZNQCLSA-N -1 0 334.418 3.520 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)[C@H](C)c1cccc(Cl)c1 ZINC000825942281 600945853 /nfs/dbraw/zinc/94/58/53/600945853.db2.gz QANSJHPFJMMYLC-SNVBAGLBSA-N -1 0 346.766 3.950 20 0 EHADRM Cc1nc(C2CCCC2)sc1C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000832996699 600947077 /nfs/dbraw/zinc/94/70/77/600947077.db2.gz BTHLAJNLMMAEQL-UHFFFAOYSA-N -1 0 345.420 3.955 20 0 EHADRM CC(C)C[C@@H](OC(=O)c1ccc(Oc2ccccc2)nc1)C(=O)[O-] ZINC000826821286 600949573 /nfs/dbraw/zinc/94/95/73/600949573.db2.gz YOROFTVIKYKHDY-OAHLLOKOSA-N -1 0 329.352 3.530 20 0 EHADRM O=C([O-])CN(C(=O)c1cc(-c2ccccc2)ns1)c1ccccc1 ZINC000337758427 600961704 /nfs/dbraw/zinc/96/17/04/600961704.db2.gz UVXKCWXTCRXFCO-UHFFFAOYSA-N -1 0 338.388 3.542 20 0 EHADRM COc1ccc(OCCCN2C[C@@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000738048968 600961962 /nfs/dbraw/zinc/96/19/62/600961962.db2.gz LIZKLZAFQGHGLN-OAHLLOKOSA-N -1 0 341.407 3.543 20 0 EHADRM Cc1ccc([C@H]2OCCC[C@H]2C(=O)Oc2ccc(C(=O)[O-])cc2)cc1 ZINC000832927645 600964246 /nfs/dbraw/zinc/96/42/46/600964246.db2.gz GKYIGLNZCOJVIO-QZTJIDSGSA-N -1 0 340.375 3.767 20 0 EHADRM Cc1nc(NC(=O)c2cccc(-c3cscn3)c2)sc1C(=O)[O-] ZINC000833001937 600966046 /nfs/dbraw/zinc/96/60/46/600966046.db2.gz DJKPPLKRCGZVHS-UHFFFAOYSA-N -1 0 345.405 3.526 20 0 EHADRM CCOc1cccc(NC(=S)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000830104902 600970894 /nfs/dbraw/zinc/97/08/94/600970894.db2.gz YXDMHBRAOJOOBJ-UHFFFAOYSA-N -1 0 330.409 3.901 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(OC)cc1C(=O)[O-] ZINC000829009325 600972379 /nfs/dbraw/zinc/97/23/79/600972379.db2.gz BHYAKNZBBLUNPG-JDFRZJQESA-N -1 0 349.427 3.706 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=S)Nc2ccccc2-c2ccccc2)C1 ZINC000833292329 600972748 /nfs/dbraw/zinc/97/27/48/600972748.db2.gz SXDOMRXGIXROMA-HNNXBMFYSA-N -1 0 340.448 3.847 20 0 EHADRM Cc1cc(C(=O)[C@H](C)S[C@H](C)CC(=O)[O-])c(C)n1Cc1ccco1 ZINC000738203552 600985680 /nfs/dbraw/zinc/98/56/80/600985680.db2.gz UDISTZKESZLIPD-OCCSQVGLSA-N -1 0 349.452 3.914 20 0 EHADRM CCc1sc(=O)n(Cc2cccc(C(=O)[O-])c2)c1-c1ccccc1 ZINC000737292592 600986869 /nfs/dbraw/zinc/98/68/69/600986869.db2.gz RTAORMPNRNFOEL-UHFFFAOYSA-N -1 0 339.416 3.886 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@H]1CCSc2ccccc21 ZINC000737859011 600995028 /nfs/dbraw/zinc/99/50/28/600995028.db2.gz SCXRUKYRQHTHKW-ZDUSSCGKSA-N -1 0 344.388 3.578 20 0 EHADRM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)c1 ZINC000321086936 600995973 /nfs/dbraw/zinc/99/59/73/600995973.db2.gz MTILYCOVHFUTCZ-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM C[C@H](C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-])c1cccnc1 ZINC000826025659 600996761 /nfs/dbraw/zinc/99/67/61/600996761.db2.gz FDYWQGORIOOLEB-JTQLQIEISA-N -1 0 332.425 3.881 20 0 EHADRM Cc1cnc([C@H](NC(=O)Nc2cc(C(=O)[O-])ccc2C)C2CC2)s1 ZINC000832985512 600997503 /nfs/dbraw/zinc/99/75/03/600997503.db2.gz GFPSIJHYCGFXNF-CQSZACIVSA-N -1 0 345.424 3.731 20 0 EHADRM Cc1cc(C)c(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])c(Cl)c1 ZINC000644169453 600997853 /nfs/dbraw/zinc/99/78/53/600997853.db2.gz UUTJGIVSKOXESF-GFCCVEGCSA-N -1 0 326.824 3.825 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)c1cc2cccc(F)c2o1 ZINC000740240712 601000071 /nfs/dbraw/zinc/00/00/71/601000071.db2.gz CBUOCJZHLIMLIU-UHFFFAOYSA-N -1 0 339.322 3.863 20 0 EHADRM Cc1ccc(-c2ocnc2C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000347101095 601000456 /nfs/dbraw/zinc/00/04/56/601000456.db2.gz GIXFGPPZPBKYQP-UHFFFAOYSA-N -1 0 336.347 3.529 20 0 EHADRM CCC[C@](C)(NC(=O)/C=C(/C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000236828963 601001079 /nfs/dbraw/zinc/00/10/79/601001079.db2.gz LWCRNUMUFRBDLY-SNGWPZLWSA-N -1 0 343.345 3.868 20 0 EHADRM CCC[C@](C)(NC(=O)/C=C(\C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000736954514 601001317 /nfs/dbraw/zinc/00/13/17/601001317.db2.gz LWCRNUMUFRBDLY-OFAQMXQXSA-N -1 0 343.345 3.868 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccc(OC2CCCC2)cc1)C(=O)[O-] ZINC000826775196 601003973 /nfs/dbraw/zinc/00/39/73/601003973.db2.gz OAONQVNSFOQPNM-CQSZACIVSA-N -1 0 348.443 3.876 20 0 EHADRM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000345778318 601005322 /nfs/dbraw/zinc/00/53/22/601005322.db2.gz MHRLPIFDYHGHKT-BDJLRTHQSA-N -1 0 349.789 3.915 20 0 EHADRM CCC[C@@H]1[C@H](C)CCCN1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000829246209 601005315 /nfs/dbraw/zinc/00/53/15/601005315.db2.gz XJQXRSREDGYNBS-CZUORRHYSA-N -1 0 334.416 3.583 20 0 EHADRM COc1ccc(NC(=O)[C@H](C)c2cccc(Cl)c2)c(C(=O)[O-])c1 ZINC000519128285 601005665 /nfs/dbraw/zinc/00/56/65/601005665.db2.gz LSYLLTVKCAWEMV-SNVBAGLBSA-N -1 0 333.771 3.789 20 0 EHADRM CCN(C(=O)Nc1cc(C(=O)[O-])ccc1F)[C@@H](C)c1cccc(O)c1 ZINC000829596894 601011548 /nfs/dbraw/zinc/01/15/48/601011548.db2.gz DCDIOQRGFUCXBC-NSHDSACASA-N -1 0 346.358 3.845 20 0 EHADRM C/C(=C/C(=O)N(CC(=O)[O-])c1cccc(C)n1)c1ccccc1Cl ZINC000736117439 601015831 /nfs/dbraw/zinc/01/58/31/601015831.db2.gz JUDMTSYWDZMMFG-BENRWUELSA-N -1 0 344.798 3.565 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(CNC(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000736215834 601017879 /nfs/dbraw/zinc/01/78/79/601017879.db2.gz OKHOXWIXDVVTFC-LLVKDONJSA-N -1 0 332.787 3.850 20 0 EHADRM Cc1ccc(-c2nc(CN3CCSC[C@@H]3CC(=O)[O-])cs2)cc1 ZINC000320932872 601019356 /nfs/dbraw/zinc/01/93/56/601019356.db2.gz IVKHMJSMCULBGF-HNNXBMFYSA-N -1 0 348.493 3.511 20 0 EHADRM Cc1ccncc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000738797474 601020756 /nfs/dbraw/zinc/02/07/56/601020756.db2.gz ABAVVUMFRLHESH-KRWDZBQOSA-N -1 0 340.423 3.633 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)Oc2ccccc2CC(=O)[O-])ccc1Cl ZINC000738464125 601022016 /nfs/dbraw/zinc/02/20/16/601022016.db2.gz APDONRGKJCBKPR-GFCCVEGCSA-N -1 0 348.782 3.648 20 0 EHADRM C[C@@H](CC(=O)N(CCC(=O)[O-])c1cccc(F)c1)c1ccccc1F ZINC000736546017 601025917 /nfs/dbraw/zinc/02/59/17/601025917.db2.gz WHSZACMMSGLYNQ-ZDUSSCGKSA-N -1 0 347.361 3.966 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CCC(C3CCCC3)CC2)ccc1F ZINC000833301950 601026800 /nfs/dbraw/zinc/02/68/00/601026800.db2.gz YZNOGXTYMZRLHE-UHFFFAOYSA-N -1 0 334.391 3.958 20 0 EHADRM CC[C@@H](C)Oc1ccc(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000828764914 601028912 /nfs/dbraw/zinc/02/89/12/601028912.db2.gz QOZBYRABXLYBBY-ZIAGYGMSSA-N -1 0 336.432 3.732 20 0 EHADRM CCC[C@H]1[C@@H](C)CCCN1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000829245880 601035183 /nfs/dbraw/zinc/03/51/83/601035183.db2.gz PTDVWPXYJDAXSZ-YOEHRIQHSA-N -1 0 348.443 3.973 20 0 EHADRM CCSCC[C@@H](C)NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000830164482 601037505 /nfs/dbraw/zinc/03/75/05/601037505.db2.gz XJZQCCBWQDFFFO-SECBINFHSA-N -1 0 329.397 3.569 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc(F)c(NC(=O)[O-])c1)SC ZINC000828815195 601037600 /nfs/dbraw/zinc/03/76/00/601037600.db2.gz KGUPHRIHFJZQCQ-UHFFFAOYSA-N -1 0 343.424 3.959 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)ccc1F ZINC000833283785 601038536 /nfs/dbraw/zinc/03/85/36/601038536.db2.gz WBTXLAKWJXETTC-SWLSCSKDSA-N -1 0 343.358 3.668 20 0 EHADRM Cc1cc(NC(=O)NC[C@H](C)Cc2cccs2)ccc1C(=O)[O-] ZINC000832894308 601038979 /nfs/dbraw/zinc/03/89/79/601038979.db2.gz CBJBELAVWYYCHF-LLVKDONJSA-N -1 0 332.425 3.755 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)Nc2ccc(N(C)C(=O)[O-])cc2)c1 ZINC000736521097 601046917 /nfs/dbraw/zinc/04/69/17/601046917.db2.gz JKDZLLZFFVPOLF-UHFFFAOYSA-N -1 0 348.424 3.725 20 0 EHADRM C[C@H](C(=O)NC1(C(=O)[O-])CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000262580816 601055904 /nfs/dbraw/zinc/05/59/04/601055904.db2.gz QLWMAUPKTDFCME-VIFPVBQESA-N -1 0 330.211 3.611 20 0 EHADRM C[C@H](CCOc1ccccc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000767095459 601059060 /nfs/dbraw/zinc/05/90/60/601059060.db2.gz KRXVFFGRIQPQBM-GFCCVEGCSA-N -1 0 331.343 3.568 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000236837983 601060274 /nfs/dbraw/zinc/06/02/74/601060274.db2.gz JILUYWSCVIOXMD-OLZOCXBDSA-N -1 0 344.238 3.857 20 0 EHADRM CN1CCN(C(=O)c2ccc(NC(=O)[O-])cc2)c2cc(Cl)ccc21 ZINC000830951073 601062017 /nfs/dbraw/zinc/06/20/17/601062017.db2.gz TYJKANCASMBAKB-UHFFFAOYSA-N -1 0 345.786 3.527 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000833350827 601065431 /nfs/dbraw/zinc/06/54/31/601065431.db2.gz LYINJGWCEXLRCX-CYBMUJFWSA-N -1 0 325.147 3.976 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000262087438 601067015 /nfs/dbraw/zinc/06/70/15/601067015.db2.gz FLGYAEHANHDMLF-UHFFFAOYSA-N -1 0 327.380 3.618 20 0 EHADRM CC(C)C1CCN(C(=O)c2ccccc2S[C@H](C)C(=O)[O-])CC1 ZINC000236590430 601067212 /nfs/dbraw/zinc/06/72/12/601067212.db2.gz QVPVWNCYFLWMEC-CYBMUJFWSA-N -1 0 335.469 3.760 20 0 EHADRM O=C([O-])[C@H](OC(=O)Cc1ccc2ccccc2c1)c1ccccc1F ZINC000833117512 601074634 /nfs/dbraw/zinc/07/46/34/601074634.db2.gz OQLYCBWYYXSEKA-LJQANCHMSA-N -1 0 338.334 3.891 20 0 EHADRM Cc1cc(C(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])ccc1F ZINC000832861192 601086512 /nfs/dbraw/zinc/08/65/12/601086512.db2.gz ZAQHJAKNVUAFMC-DOTOQJQBSA-N -1 0 333.403 3.630 20 0 EHADRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)c1ccc2cc[nH]c2c1 ZINC000833178088 601088831 /nfs/dbraw/zinc/08/88/31/601088831.db2.gz DZZHVZHMFXVCHB-FUHWJXTLSA-N -1 0 340.423 3.664 20 0 EHADRM C[C@@H]1CCC[C@@H](CNC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C1 ZINC000392521000 601091790 /nfs/dbraw/zinc/09/17/90/601091790.db2.gz ZVTBIKCQXIZPLY-ZIAGYGMSSA-N -1 0 332.444 3.997 20 0 EHADRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)c1cc2c(s1)CCC2 ZINC000833180377 601093691 /nfs/dbraw/zinc/09/36/91/601093691.db2.gz UFXSOUBIVRGOAN-LSDHHAIUSA-N -1 0 347.480 3.732 20 0 EHADRM Cc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)cn1 ZINC000832918140 601096073 /nfs/dbraw/zinc/09/60/73/601096073.db2.gz GOVFINIVPCHVQT-CYBMUJFWSA-N -1 0 340.162 3.680 20 0 EHADRM C/C(=C\CSc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)[O-] ZINC000736120552 601097676 /nfs/dbraw/zinc/09/76/76/601097676.db2.gz AUYCKRYONWOKNR-ZRDIBKRKSA-N -1 0 344.436 3.635 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1cccc(CC(F)(F)F)c1)C(=O)[O-] ZINC000424383568 601100138 /nfs/dbraw/zinc/10/01/38/601100138.db2.gz PUKWBHSSTBPROZ-LBPRGKRZSA-N -1 0 346.349 3.660 20 0 EHADRM Cc1csc([C@@H]2CCCN(C(=O)c3ccccc3NC(=O)[O-])C2)n1 ZINC000738817149 601101464 /nfs/dbraw/zinc/10/14/64/601101464.db2.gz UHETWTPJFQLTCS-GFCCVEGCSA-N -1 0 345.424 3.561 20 0 EHADRM CC(C)CO[C@@H](C)C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000826895082 601109709 /nfs/dbraw/zinc/10/97/09/601109709.db2.gz BXWZHVBCJUEISC-TVQRCGJNSA-N -1 0 349.210 3.723 20 0 EHADRM CN(Cc1nccs1)[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000830879571 601116967 /nfs/dbraw/zinc/11/69/67/601116967.db2.gz PMHIOHKERFAWMT-LBPRGKRZSA-N -1 0 331.224 3.708 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1cccc2ccccc21 ZINC000245942320 601126007 /nfs/dbraw/zinc/12/60/07/601126007.db2.gz KAJAAEKIHQYPJN-CWRNSKLLSA-N -1 0 325.408 3.908 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccc2c(c1)CCCC2 ZINC000326313975 601126032 /nfs/dbraw/zinc/12/60/32/601126032.db2.gz MIAYGNWMVHKSDJ-KKXDTOCCSA-N -1 0 329.440 3.634 20 0 EHADRM CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000830156934 601128872 /nfs/dbraw/zinc/12/88/72/601128872.db2.gz AWFHYXMSCGEYBF-ZIAGYGMSSA-N -1 0 340.420 3.710 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N[C@H]2CCCc3[nH]ccc32)cc1 ZINC000826118118 601132299 /nfs/dbraw/zinc/13/22/99/601132299.db2.gz AYVFRNQWASOPGD-INIZCTEOSA-N -1 0 341.411 3.576 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H](C)c1c(Cl)cccc1Cl ZINC000828617417 601134158 /nfs/dbraw/zinc/13/41/58/601134158.db2.gz DACGGFFSLRLTEJ-VFZGTOFNSA-N -1 0 332.227 3.857 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1ccc(C)c(C(=O)[O-])c1)c1nc(C)cs1 ZINC000828685655 601135992 /nfs/dbraw/zinc/13/59/92/601135992.db2.gz PTUPNLSCOQJHLQ-QGZVFWFLSA-N -1 0 347.440 3.905 20 0 EHADRM CCN(C(=O)Nc1ccc(C)c(C(=O)[O-])c1)[C@@H](C)c1cccnc1 ZINC000829596805 601136703 /nfs/dbraw/zinc/13/67/03/601136703.db2.gz CIMLXNAJBFGBQW-ZDUSSCGKSA-N -1 0 327.384 3.703 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H]2CCOc3c(C)cccc32)cc1C(=O)[O-] ZINC000832945995 601142317 /nfs/dbraw/zinc/14/23/17/601142317.db2.gz CVNMQPLQLGJJOG-MRXNPFEDSA-N -1 0 340.379 3.647 20 0 EHADRM C[C@H]1CCc2sc(C(=O)N(CC(=O)[O-])c3cccc(F)c3)cc2C1 ZINC000828311240 601143652 /nfs/dbraw/zinc/14/36/52/601143652.db2.gz VNBAHOHAZWBTGR-NSHDSACASA-N -1 0 347.411 3.743 20 0 EHADRM N#Cc1c(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)sc2c1CCCCC2 ZINC000326335627 601146011 /nfs/dbraw/zinc/14/60/11/601146011.db2.gz TTXQCBWHRHFDLF-NEPJUHHUSA-N -1 0 346.452 3.718 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)OCc1cc(C(=O)[O-])c(C)o1 ZINC000832992794 601148030 /nfs/dbraw/zinc/14/80/30/601148030.db2.gz XBTSIVJBHIKFFY-UHFFFAOYSA-N -1 0 341.319 3.607 20 0 EHADRM Cc1oc(COC(=O)c2cccc(C(F)(F)F)c2F)cc1C(=O)[O-] ZINC000833027180 601148194 /nfs/dbraw/zinc/14/81/94/601148194.db2.gz PCEMHGWBFKPXFD-UHFFFAOYSA-N -1 0 346.232 3.801 20 0 EHADRM Cc1cc(NC(=O)c2cnc3ccccc3c2C)sc1C(=O)[O-] ZINC000832897121 601151281 /nfs/dbraw/zinc/15/12/81/601151281.db2.gz LKKAZNUGMDDGMR-UHFFFAOYSA-N -1 0 326.377 3.864 20 0 EHADRM CN(Cc1cccc(O)c1)[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000830851931 601169553 /nfs/dbraw/zinc/16/95/53/601169553.db2.gz IXSMMQVMWZCFMG-OAHLLOKOSA-N -1 0 340.206 3.957 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)C/C=C/c1cccc(F)c1)c1ccccc1 ZINC000237494220 601170979 /nfs/dbraw/zinc/17/09/79/601170979.db2.gz KUXCERHYUVFBPC-DIVWQOPOSA-N -1 0 341.382 3.807 20 0 EHADRM C/C(=C\C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-])c1cccc(F)c1 ZINC000767069154 601171152 /nfs/dbraw/zinc/17/11/52/601171152.db2.gz RVISNECSXBXIPB-HTIQQJFHSA-N -1 0 341.382 3.807 20 0 EHADRM Cc1cccc([C@H](C)C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000486066332 601172270 /nfs/dbraw/zinc/17/22/70/601172270.db2.gz UUTRAULLOORPAA-RLFYNMQTSA-N -1 0 325.408 3.677 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@H]1CCCS1)c1ccc(Cl)cc1Cl ZINC000833351409 601175278 /nfs/dbraw/zinc/17/52/78/601175278.db2.gz QXMIYMAGJJDJRE-GHMZBOCLSA-N -1 0 335.208 3.558 20 0 EHADRM Cc1ccc2nc(C3CC3)cc(C(=O)NC3(C(=O)[O-])CCCC3)c2c1 ZINC000237823765 601179593 /nfs/dbraw/zinc/17/95/93/601179593.db2.gz BWOFYBHRADLSEZ-UHFFFAOYSA-N -1 0 338.407 3.548 20 0 EHADRM Cc1c(NC(=O)C2CC(OCc3ccccc3)C2)cccc1C(=O)[O-] ZINC000832857656 601179765 /nfs/dbraw/zinc/17/97/65/601179765.db2.gz ULBRFXWUQDAHIG-UHFFFAOYSA-N -1 0 339.391 3.627 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000322021420 601185856 /nfs/dbraw/zinc/18/58/56/601185856.db2.gz QVVKSELOHUODCT-UHFFFAOYSA-N -1 0 329.318 3.613 20 0 EHADRM CC[C@H](CNC(=O)Nc1cccc(C(=O)[O-])c1)Oc1ccccc1F ZINC000828884332 601190790 /nfs/dbraw/zinc/19/07/90/601190790.db2.gz UYFOGDUQNYBJSD-CQSZACIVSA-N -1 0 346.358 3.503 20 0 EHADRM CC[C@@H](C)CN(CC)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000828746700 601192489 /nfs/dbraw/zinc/19/24/89/601192489.db2.gz ILAADRJRCQYFDC-SNVBAGLBSA-N -1 0 344.358 3.886 20 0 EHADRM CC(=O)c1c(C)cc(C)c(COC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1C ZINC000825941974 601192593 /nfs/dbraw/zinc/19/25/93/601192593.db2.gz HDLPYPJPDIIQTR-JKSUJKDBSA-N -1 0 346.423 3.749 20 0 EHADRM Cc1c(-c2nc(-c3cccc(C(=O)[O-])c3)no2)cnc2ccccc12 ZINC000832849224 601201988 /nfs/dbraw/zinc/20/19/88/601201988.db2.gz VHMTXQVQLJZTLT-UHFFFAOYSA-N -1 0 331.331 3.958 20 0 EHADRM Cc1ccccc1OCCCNc1ccc(CN(C)C(=O)[O-])cc1 ZINC000832978775 601210163 /nfs/dbraw/zinc/21/01/63/601210163.db2.gz BMIZMFATAGCYQN-UHFFFAOYSA-N -1 0 328.412 3.986 20 0 EHADRM CCOc1ccc(C(C)=O)cc1COc1ccccc1NC(=O)[O-] ZINC000830064046 601228220 /nfs/dbraw/zinc/22/82/20/601228220.db2.gz NAULPBMMOUUMER-UHFFFAOYSA-N -1 0 329.352 3.957 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)O[C@H](c2ccccc2)c2cccnc2)C1 ZINC000833184613 601239623 /nfs/dbraw/zinc/23/96/23/601239623.db2.gz AANZXDACJONDRL-SOLBZPMBSA-N -1 0 339.391 3.605 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)c1ccccc1 ZINC000237753299 601244164 /nfs/dbraw/zinc/24/41/64/601244164.db2.gz LARIKTMBHXEWGY-PELKAZGASA-N -1 0 341.194 3.513 20 0 EHADRM O=C([O-])c1cc(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)ccn1 ZINC000238178309 601244863 /nfs/dbraw/zinc/24/48/63/601244863.db2.gz AGIRMFJCYOPKCE-QGZVFWFLSA-N -1 0 342.370 3.580 20 0 EHADRM Cc1cccc(-c2cccc(CNC(=O)c3ccnc(C(=O)[O-])c3)c2)c1 ZINC000832960092 601246045 /nfs/dbraw/zinc/24/60/45/601246045.db2.gz LSWYPAOXMCQKEH-UHFFFAOYSA-N -1 0 346.386 3.685 20 0 EHADRM O=C([O-])c1sc(N2CCC[C@H]2c2ccc(F)cc2)nc1Cl ZINC000833346504 601248258 /nfs/dbraw/zinc/24/82/58/601248258.db2.gz NYJSBNOIWUUWIS-JTQLQIEISA-N -1 0 326.780 3.975 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000237021889 601253488 /nfs/dbraw/zinc/25/34/88/601253488.db2.gz WHHLZOAZUSIHDC-UHFFFAOYSA-N -1 0 346.814 3.702 20 0 EHADRM Cc1ccsc1[C@H](Cc1ccccc1)Nc1ccc(C(=O)[O-])nn1 ZINC000832983991 601254268 /nfs/dbraw/zinc/25/42/68/601254268.db2.gz GVXKSTYWHISEPM-HNNXBMFYSA-N -1 0 339.420 3.941 20 0 EHADRM COc1csc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)c1 ZINC000317859904 601268214 /nfs/dbraw/zinc/26/82/14/601268214.db2.gz ITNARSIMPHJOIN-UHFFFAOYSA-N -1 0 337.422 3.648 20 0 EHADRM CC(C)[C@@H](C(=O)Nc1cc(C(=O)[O-])c[nH]c1=O)c1cccc(Cl)c1 ZINC000826676697 601277115 /nfs/dbraw/zinc/27/71/15/601277115.db2.gz JQHGZVKQQWGHRL-CQSZACIVSA-N -1 0 348.786 3.517 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C/C=C/c1cccc(F)c1)c1cccs1 ZINC000238201632 601278069 /nfs/dbraw/zinc/27/80/69/601278069.db2.gz PMTWENZUVTULAK-IWZWCOEHSA-N -1 0 333.384 3.623 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C/C=C/c1cccc(F)c1)c1ccccc1 ZINC000238201615 601278079 /nfs/dbraw/zinc/27/80/79/601278079.db2.gz MJQWXTBZQCLLEC-UABRLCRWSA-N -1 0 327.355 3.561 20 0 EHADRM Cc1cc(NC(=O)c2ccnc(C(=O)[O-])c2)ccc1Oc1cccnc1 ZINC000432116845 601280303 /nfs/dbraw/zinc/28/03/03/601280303.db2.gz RINCUIKKAHUHPG-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM O=C([O-])CCCCNC(=O)c1cc(Cl)ccc1OC1CCCC1 ZINC000237915868 601281157 /nfs/dbraw/zinc/28/11/57/601281157.db2.gz YVLVPUZKNKAVQS-UHFFFAOYSA-N -1 0 339.819 3.646 20 0 EHADRM CCCOc1ccc(Cl)cc1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000262686889 601283582 /nfs/dbraw/zinc/28/35/82/601283582.db2.gz YRPHXRUEZZVPCX-UHFFFAOYSA-N -1 0 339.819 3.502 20 0 EHADRM CC[C@](NC(=O)C/C=C/c1cccc(F)c1)(C(=O)[O-])c1ccccc1 ZINC000485369648 601284261 /nfs/dbraw/zinc/28/42/61/601284261.db2.gz JDVLERZHVCUINW-FHVRUZERSA-N -1 0 341.382 3.735 20 0 EHADRM CC[C@@](NC(=O)C/C=C\c1cccc(F)c1)(C(=O)[O-])c1ccccc1 ZINC000485369650 601284278 /nfs/dbraw/zinc/28/42/78/601284278.db2.gz JDVLERZHVCUINW-XOYLTFLUSA-N -1 0 341.382 3.735 20 0 EHADRM Cc1cccc([C@H]2CCCCCN2C(=O)c2ccnc(C(=O)[O-])c2)c1 ZINC000237796325 601288891 /nfs/dbraw/zinc/28/88/91/601288891.db2.gz GIXCCMAIIBOFBV-GOSISDBHSA-N -1 0 338.407 3.846 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ccc(C(=O)[O-])cn1 ZINC000191136849 601292343 /nfs/dbraw/zinc/29/23/43/601292343.db2.gz SRKDVOBAGQNEDM-NEPJUHHUSA-N -1 0 346.814 3.697 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000828200349 601335358 /nfs/dbraw/zinc/33/53/58/601335358.db2.gz FJDPMJTUEOUUIS-XJKCOSOUSA-N -1 0 331.416 3.986 20 0 EHADRM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000828149694 601335632 /nfs/dbraw/zinc/33/56/32/601335632.db2.gz MRORLFUOLOMHNB-DOMZBBRYSA-N -1 0 342.370 3.934 20 0 EHADRM Cc1cc(CN2CCC[C@H]2c2nc3ccccc3n2C)oc1C(=O)[O-] ZINC000574921500 601338653 /nfs/dbraw/zinc/33/86/53/601338653.db2.gz CGNLUZCAQQHAAX-INIZCTEOSA-N -1 0 339.395 3.510 20 0 EHADRM C[C@H](OC(=O)c1cccc(NC(=O)[O-])c1)c1ncc(C(C)(C)C)o1 ZINC000827860150 601339584 /nfs/dbraw/zinc/33/95/84/601339584.db2.gz AGWHILGKXZUOMP-JTQLQIEISA-N -1 0 332.356 3.980 20 0 EHADRM C[C@H](SCc1cc(Br)ccc1OC(F)F)C(=O)[O-] ZINC000827908298 601344648 /nfs/dbraw/zinc/34/46/48/601344648.db2.gz JLPQSVMXUABFOG-LURJTMIESA-N -1 0 341.173 3.757 20 0 EHADRM O=C([O-])c1cccnc1SCc1ncc(-c2cccc(F)c2)o1 ZINC000833334205 601345126 /nfs/dbraw/zinc/34/51/26/601345126.db2.gz BJNSGAUGHHDACY-UHFFFAOYSA-N -1 0 330.340 3.866 20 0 EHADRM NC(=NOCc1ccc(C(=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 ZINC000833078159 601352010 /nfs/dbraw/zinc/35/20/10/601352010.db2.gz JEJBEYFQVKIIBK-UHFFFAOYSA-N -1 0 328.412 3.600 20 0 EHADRM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)NCCCCCCC(=O)[O-] ZINC000828149521 601361417 /nfs/dbraw/zinc/36/14/17/601361417.db2.gz LGBPWTJNNGNQGG-DOTOQJQBSA-N -1 0 332.444 3.609 20 0 EHADRM CCS[C@@H](c1nc(COc2cccc(C(=O)[O-])c2)no1)C(C)C ZINC000830151112 601367087 /nfs/dbraw/zinc/36/70/87/601367087.db2.gz UZIWBJODEJSKTB-CQSZACIVSA-N -1 0 336.413 3.797 20 0 EHADRM O=C([O-])c1cccc(OCc2noc(-c3cc4ccsc4[nH]3)n2)c1 ZINC000833333307 601368446 /nfs/dbraw/zinc/36/84/46/601368446.db2.gz UCFILHVFHUJNEC-UHFFFAOYSA-N -1 0 341.348 3.557 20 0 EHADRM COc1cc(NCc2cc(C(=O)[O-])oc2C)ccc1Br ZINC000234928879 601391523 /nfs/dbraw/zinc/39/15/23/601391523.db2.gz VXPFRBWWXXUGOR-UHFFFAOYSA-N -1 0 340.173 3.669 20 0 EHADRM C[C@@H](C(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccc(Cl)s1 ZINC000190915876 601394358 /nfs/dbraw/zinc/39/43/58/601394358.db2.gz BMSFKXWXIBKSTA-SECBINFHSA-N -1 0 339.800 3.607 20 0 EHADRM C[C@H](C(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccc(Cl)s1 ZINC000190915858 601394420 /nfs/dbraw/zinc/39/44/20/601394420.db2.gz BMSFKXWXIBKSTA-VIFPVBQESA-N -1 0 339.800 3.607 20 0 EHADRM COc1cc(C=CC(=O)[O-])ccc1OCC(=O)c1ccc(F)c(C)c1 ZINC000831977275 601405872 /nfs/dbraw/zinc/40/58/72/601405872.db2.gz SBVJAOMVQCDSHB-XBXARRHUSA-N -1 0 344.338 3.502 20 0 EHADRM CCN(C(=O)C[C@H](C)c1ccc(OC)cc1)c1ccccc1C(=O)[O-] ZINC000829590936 601406512 /nfs/dbraw/zinc/40/65/12/601406512.db2.gz KCYIEBGASIBYPX-AWEZNQCLSA-N -1 0 341.407 3.940 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN1C[C@H](c2ccccc2)OC[C@H]1C ZINC000563722695 601415345 /nfs/dbraw/zinc/41/53/45/601415345.db2.gz KBNAJOFCXDJTNG-FZKQIMNGSA-N -1 0 329.396 3.502 20 0 EHADRM Cc1ccc2c(Cl)c(C(=O)NC3(CC(=O)[O-])CCC3)sc2c1 ZINC000653322518 601433987 /nfs/dbraw/zinc/43/39/87/601433987.db2.gz YBDSBBPITGRIJC-UHFFFAOYSA-N -1 0 337.828 3.990 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)C[C@@H](C)n3cccc3)ccc2n1C ZINC000832851562 601450696 /nfs/dbraw/zinc/45/06/96/601450696.db2.gz UHPITMCRFYMVHN-GFCCVEGCSA-N -1 0 340.379 3.543 20 0 EHADRM COc1ccc(NC(=O)[C@H](C)SCc2cccc(C(=O)[O-])c2)cc1 ZINC000832389599 601456952 /nfs/dbraw/zinc/45/69/52/601456952.db2.gz ULZDOLXNHLNUSY-LBPRGKRZSA-N -1 0 345.420 3.654 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000237004175 601461995 /nfs/dbraw/zinc/46/19/95/601461995.db2.gz ACKLNEWSDVTEHG-BZNIZROVSA-N -1 0 345.361 3.959 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000237023459 601464659 /nfs/dbraw/zinc/46/46/59/601464659.db2.gz GBMNSTBVQJBJRX-VFZGTOFNSA-N -1 0 348.226 3.520 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000761651839 601465624 /nfs/dbraw/zinc/46/56/24/601465624.db2.gz QKLMHLYAHWWQST-IBGZPJMESA-N -1 0 344.386 3.625 20 0 EHADRM Cc1ccc(N2CCCC2)c(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC000832937977 601467283 /nfs/dbraw/zinc/46/72/83/601467283.db2.gz CXSBXVOAFXYPDZ-ZDUSSCGKSA-N -1 0 343.379 3.804 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000237105519 601467835 /nfs/dbraw/zinc/46/78/35/601467835.db2.gz WLBVCFSKCITVPB-HXUWFJFHSA-N -1 0 325.408 3.656 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC000829014156 601468977 /nfs/dbraw/zinc/46/89/77/601468977.db2.gz DNMSQKNUGWUXHF-DLBZAZTESA-N -1 0 328.364 3.522 20 0 EHADRM O=C([O-])c1ccc(-c2noc(Cc3coc4cc(F)ccc34)n2)cc1 ZINC000833308786 601472840 /nfs/dbraw/zinc/47/28/40/601472840.db2.gz TXGYMSFXWZGFHE-UHFFFAOYSA-N -1 0 338.294 3.911 20 0 EHADRM CC1(C(=O)OCc2csc(-c3cccc(C(=O)[O-])c3)n2)CCC1 ZINC000828042128 601474071 /nfs/dbraw/zinc/47/40/71/601474071.db2.gz PMVXPSJJHVQUDB-UHFFFAOYSA-N -1 0 331.393 3.742 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)C[C@H](C)c1ccc(OC)cc1 ZINC000830384617 601475298 /nfs/dbraw/zinc/47/52/98/601475298.db2.gz XFKYNJOHPBUMSB-LBPRGKRZSA-N -1 0 346.379 3.786 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000262484877 601475921 /nfs/dbraw/zinc/47/59/21/601475921.db2.gz FAYYSDMADXGJON-FOIQADDNSA-N -1 0 337.419 3.699 20 0 EHADRM CCCOc1ccc(NC(=O)NC2(CC(=O)[O-])CCC2)cc1Cl ZINC000649538478 601479325 /nfs/dbraw/zinc/47/93/25/601479325.db2.gz OCZPZDURGXKXCX-UHFFFAOYSA-N -1 0 340.807 3.648 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1cc2sccc2s1 ZINC000321122331 601487664 /nfs/dbraw/zinc/48/76/64/601487664.db2.gz CAUKMFJOJITARO-HNNXBMFYSA-N -1 0 343.429 3.787 20 0 EHADRM CCC1CCC(NCc2ncc(-c3cccs3)o2)(C(=O)[O-])CC1 ZINC000829106807 601495365 /nfs/dbraw/zinc/49/53/65/601495365.db2.gz DPPXVUCBTYNNSI-UHFFFAOYSA-N -1 0 334.441 3.916 20 0 EHADRM C[C@H](C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-])c1ccc(Cl)s1 ZINC000262841954 601496822 /nfs/dbraw/zinc/49/68/22/601496822.db2.gz ZXASGLYFYCBCRR-ZUZCIYMTSA-N -1 0 349.839 3.716 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)/C=C2\CC[C@@H](C)C2)cc1 ZINC000832777447 601501495 /nfs/dbraw/zinc/50/14/95/601501495.db2.gz MYTBBJJMFYRKRY-SPILEWSZSA-N -1 0 333.453 3.787 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N(CCC(F)(F)F)CC2CC2)c1 ZINC000833330611 601528446 /nfs/dbraw/zinc/52/84/46/601528446.db2.gz WYWBDNZWYDZCHX-UHFFFAOYSA-N -1 0 330.306 3.581 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(C(F)F)c2)cc(C)c1OCC(=O)[O-] ZINC000180127530 601536647 /nfs/dbraw/zinc/53/66/47/601536647.db2.gz FAQSDLCDWWRSCE-UHFFFAOYSA-N -1 0 349.333 3.957 20 0 EHADRM CC[C@H](C(=O)N1CCC[C@@H](C(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC000128544889 601548199 /nfs/dbraw/zinc/54/81/99/601548199.db2.gz WLZPCDPHDGNJDK-OCCSQVGLSA-N -1 0 343.345 3.522 20 0 EHADRM CCCCCC(C)(C)CNC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000391065450 601552017 /nfs/dbraw/zinc/55/20/17/601552017.db2.gz NEMHFNYISVAALU-UHFFFAOYSA-N -1 0 326.481 3.879 20 0 EHADRM Cc1cccc(C(N)=O)c1NCc1c2ccccc2sc1C(=O)[O-] ZINC000832966364 601579270 /nfs/dbraw/zinc/57/92/70/601579270.db2.gz OOLBCNYBEAXEQT-UHFFFAOYSA-N -1 0 340.404 3.619 20 0 EHADRM CSCc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000345865352 601584263 /nfs/dbraw/zinc/58/42/63/601584263.db2.gz JQDCEPKOGXRIBE-HNNXBMFYSA-N -1 0 349.839 3.759 20 0 EHADRM O=C([O-])[C@H](NC(=O)C/C=C/c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000537365207 601584898 /nfs/dbraw/zinc/58/48/98/601584898.db2.gz HPVXRWQNFKOCIW-WZHGYECESA-N -1 0 347.773 3.825 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1coc2ccccc12)c1ccc(Cl)cc1 ZINC000345771050 601584953 /nfs/dbraw/zinc/58/49/53/601584953.db2.gz IGMSBYYXEYBMHC-HNNXBMFYSA-N -1 0 329.739 3.642 20 0 EHADRM Cc1cccc([C@@H](C)C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000537364099 601587497 /nfs/dbraw/zinc/58/74/97/601587497.db2.gz QXCPTKAORIAILJ-WBMJQRKESA-N -1 0 331.799 3.694 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Nc1ccccc1Cl)c1ccccc1 ZINC000826039049 601603419 /nfs/dbraw/zinc/60/34/19/601603419.db2.gz LGSDJVNHXSUKCN-ABAIWWIYSA-N -1 0 332.787 3.924 20 0 EHADRM O=C([O-])Nc1cc(NCc2noc(-c3ccccc3)n2)ccc1F ZINC000833283035 601606502 /nfs/dbraw/zinc/60/65/02/601606502.db2.gz MVFJPZCCHOBKHP-UHFFFAOYSA-N -1 0 328.303 3.578 20 0 EHADRM C[C@H]1CCc2sc(C(=O)Nc3ccccc3CC(=O)[O-])cc2C1 ZINC000237719031 601613306 /nfs/dbraw/zinc/61/33/06/601613306.db2.gz SNOCTJKRPOUXOQ-NSHDSACASA-N -1 0 329.421 3.752 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1csc(-c2cccs2)n1 ZINC000238104176 601613681 /nfs/dbraw/zinc/61/36/81/601613681.db2.gz FMAVTJOUXBDNCP-UHFFFAOYSA-N -1 0 344.417 3.751 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Nc1ccc(F)c(F)c1)c1ccccc1 ZINC000826038963 601614441 /nfs/dbraw/zinc/61/44/41/601614441.db2.gz KBWZDDQBRSSACG-MEBBXXQBSA-N -1 0 334.322 3.548 20 0 EHADRM Cc1ccc(NC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1C ZINC000832945901 601614783 /nfs/dbraw/zinc/61/47/83/601614783.db2.gz ARSGXIFNOFNFSW-YOEHRIQHSA-N -1 0 326.396 3.887 20 0 EHADRM CSc1ccccc1NC(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832790236 601615234 /nfs/dbraw/zinc/61/52/34/601615234.db2.gz KUADMPDISKOJRO-WBMJQRKESA-N -1 0 344.436 3.992 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000238078178 601615955 /nfs/dbraw/zinc/61/59/55/601615955.db2.gz PEFFQPFJLNJRQW-UHFFFAOYSA-N -1 0 338.190 3.802 20 0 EHADRM C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000776667259 601619931 /nfs/dbraw/zinc/61/99/31/601619931.db2.gz RIUQCCAYSIZFBK-GUYCJALGSA-N -1 0 345.826 3.851 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CN1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000833033078 601620639 /nfs/dbraw/zinc/62/06/39/601620639.db2.gz UMARCXUUTTZQLJ-ZDUSSCGKSA-N -1 0 347.440 3.742 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1CCc2ccccc21)c1ccc(Cl)cc1 ZINC000262259690 601620689 /nfs/dbraw/zinc/62/06/89/601620689.db2.gz YRODZPUBNMAMEI-IRXDYDNUSA-N -1 0 343.810 3.702 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1NC(=O)NC[C@H](C)C(=O)[O-] ZINC000832900622 601624433 /nfs/dbraw/zinc/62/44/33/601624433.db2.gz HTTAKLYKAHROPS-ZDUSSCGKSA-N -1 0 328.368 3.630 20 0 EHADRM C[C@@H](CNC(=O)Nc1cccc(Sc2ccccc2)c1)C(=O)[O-] ZINC000827493351 601624470 /nfs/dbraw/zinc/62/44/70/601624470.db2.gz QRDOUDZJAIMVMZ-LBPRGKRZSA-N -1 0 330.409 3.680 20 0 EHADRM C[C@H](CNC(=O)Nc1cccc(CSC2CCCC2)c1)C(=O)[O-] ZINC000593957090 601626122 /nfs/dbraw/zinc/62/61/22/601626122.db2.gz XFWQPAWHQMJHMF-GFCCVEGCSA-N -1 0 336.457 3.705 20 0 EHADRM C[C@@H](C(=O)N1CCCC[C@@H]1C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000262532189 601628893 /nfs/dbraw/zinc/62/88/93/601628893.db2.gz IQGUFLKXNLYPPJ-NOZJJQNGSA-N -1 0 330.211 3.563 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N3CCCC[C@@H]3C(=O)[O-])o2)cc1 ZINC000236985164 601629282 /nfs/dbraw/zinc/62/92/82/601629282.db2.gz LTWCZPXTRRYPFZ-OAHLLOKOSA-N -1 0 327.380 3.588 20 0 EHADRM Cc1nc(CC(C)C)c(C(=O)Nc2cc(C(=O)[O-])ccc2C)s1 ZINC000190871127 601636199 /nfs/dbraw/zinc/63/61/99/601636199.db2.gz LFVZZLVUJWKAGY-UHFFFAOYSA-N -1 0 332.425 3.909 20 0 EHADRM Cc1ccc(OC(F)F)c(CN[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000832951008 601642298 /nfs/dbraw/zinc/64/22/98/601642298.db2.gz QBSYACPFXPJECP-HNNXBMFYSA-N -1 0 339.313 3.651 20 0 EHADRM COc1cc(C)c(C(=O)Nc2sc(C)c(C)c2C(=O)[O-])cc1OC ZINC000831962304 601644847 /nfs/dbraw/zinc/64/48/47/601644847.db2.gz YVIMFGFBTAYUCR-UHFFFAOYSA-N -1 0 349.408 3.641 20 0 EHADRM CCCCC[C@@H](NC(=O)c1oc2ccc(OC)cc2c1C)C(=O)[O-] ZINC000236849603 601647482 /nfs/dbraw/zinc/64/74/82/601647482.db2.gz GBPIBETZQWKHIG-CQSZACIVSA-N -1 0 333.384 3.513 20 0 EHADRM Cc1nc(CC(C)C)c(C(=O)Nc2cc(C(=O)[O-])ccc2F)s1 ZINC000191058957 601658210 /nfs/dbraw/zinc/65/82/10/601658210.db2.gz JVUZSTXYGOONAB-UHFFFAOYSA-N -1 0 336.388 3.740 20 0 EHADRM O=C([O-])[C@]1(F)CCN(C(=O)c2cc(-c3ccccc3)ccc2Cl)C1 ZINC000776646505 601658661 /nfs/dbraw/zinc/65/86/61/601658661.db2.gz YSBJNOZLLLCGFG-SFHVURJKSA-N -1 0 347.773 3.646 20 0 EHADRM CCC[C@](C)(NC(=O)CCCc1csc2ccccc12)C(=O)[O-] ZINC000236799329 601661426 /nfs/dbraw/zinc/66/14/26/601661426.db2.gz YEFLOHSMNMKGNQ-SFHVURJKSA-N -1 0 333.453 3.984 20 0 EHADRM CN(C(=O)C=C1CCC1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000830464449 601673076 /nfs/dbraw/zinc/67/30/76/601673076.db2.gz JGBQZMRJTMOOFM-AWEZNQCLSA-N -1 0 328.195 3.688 20 0 EHADRM CN(Cc1ccc(NC(=O)c2cc(F)cc(Cl)c2)cc1)C(=O)[O-] ZINC000830836172 601673576 /nfs/dbraw/zinc/67/35/76/601673576.db2.gz RTSPXJJCHBKAGQ-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OCc1nc2cc(F)ccc2o1 ZINC000831976310 601674197 /nfs/dbraw/zinc/67/41/97/601674197.db2.gz MPCZLYXGCLTQIQ-XVNBXDOJSA-N -1 0 343.310 3.652 20 0 EHADRM O=C([O-])c1ccc(COc2c(F)c(F)c(F)c(F)c2F)cc1F ZINC000322980827 601674887 /nfs/dbraw/zinc/67/48/87/601674887.db2.gz ZBGJTHMCJKYEGQ-UHFFFAOYSA-N -1 0 336.187 3.798 20 0 EHADRM Cc1nc(CC(C)C)c(C(=O)Nc2ccc(CCC(=O)[O-])cc2)s1 ZINC000191021305 601674923 /nfs/dbraw/zinc/67/49/23/601674923.db2.gz ONDVYNBIIQOHMZ-UHFFFAOYSA-N -1 0 346.452 3.920 20 0 EHADRM CC[C@@H](C)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(OC)cc2)cc1 ZINC000828763850 601675330 /nfs/dbraw/zinc/67/53/30/601675330.db2.gz DSLINXYHFBLSEQ-FZKQIMNGSA-N -1 0 341.407 3.764 20 0 EHADRM CC(C)OC(=O)O[C@@H](C)Sc1nc2ccc(C(=O)[O-])cc2o1 ZINC000826990146 601676686 /nfs/dbraw/zinc/67/66/86/601676686.db2.gz OHMCRDQGJXUKPH-MRVPVSSYSA-N -1 0 325.342 3.526 20 0 EHADRM O=C([O-])CCCc1csc(NC(=O)c2cc(F)cc(Cl)c2)n1 ZINC000833229653 601679733 /nfs/dbraw/zinc/67/97/33/601679733.db2.gz RLJBQIVVGOLICB-UHFFFAOYSA-N -1 0 342.779 3.595 20 0 EHADRM O=C([O-])[C@]1(F)CCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000833157049 601684704 /nfs/dbraw/zinc/68/47/04/601684704.db2.gz KAFWCDXAOIFSPB-SFHVURJKSA-N -1 0 344.342 3.509 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)NCC2(C(=O)[O-])CCCC2)c1 ZINC000392511627 601701409 /nfs/dbraw/zinc/70/14/09/601701409.db2.gz PKGDVXOJPGEZDJ-CYBMUJFWSA-N -1 0 334.416 3.630 20 0 EHADRM CC(C)(CNC(=O)c1cc2sc3ccccc3c2s1)C(=O)[O-] ZINC000178258269 601707934 /nfs/dbraw/zinc/70/79/34/601707934.db2.gz JSVVXPHGZNOUTM-UHFFFAOYSA-N -1 0 333.434 3.957 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000833031275 601714042 /nfs/dbraw/zinc/71/40/42/601714042.db2.gz HMYRXQJMJCFGQN-KBPBESRZSA-N -1 0 334.368 3.741 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)C[C@H]1C ZINC000828378041 601718538 /nfs/dbraw/zinc/71/85/38/601718538.db2.gz OHPQMZFUZGWCBH-BETUJISGSA-N -1 0 336.457 3.514 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000827591872 601729553 /nfs/dbraw/zinc/72/95/53/601729553.db2.gz BNNNUPXKCONZGQ-NSHDSACASA-N -1 0 334.318 3.585 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)Nc1ccc(COC(C)(C)C)cc1 ZINC000826800705 601748358 /nfs/dbraw/zinc/74/83/58/601748358.db2.gz RBWHJXLODFHCRT-HNNXBMFYSA-N -1 0 336.432 3.623 20 0 EHADRM CCCC[C@H](NC(=O)Nc1ccc(OCC(=O)[O-])cc1)C1CCC1 ZINC000829296717 601751915 /nfs/dbraw/zinc/75/19/15/601751915.db2.gz XLSJHAZYXSWYQF-INIZCTEOSA-N -1 0 334.416 3.630 20 0 EHADRM CC[C@H](NC(=O)C(CC)(CC)Cc1nc2ccccc2s1)C(=O)[O-] ZINC000647768557 601753444 /nfs/dbraw/zinc/75/34/44/601753444.db2.gz GGSWLKCCVMGILN-LBPRGKRZSA-N -1 0 348.468 3.625 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000833318783 601779545 /nfs/dbraw/zinc/77/95/45/601779545.db2.gz FNWODSGGTJFANT-CYBMUJFWSA-N -1 0 346.333 3.684 20 0 EHADRM Cc1nn(Cc2csc(C3CCCC3)n2)c(C)c1[C@H](C)C(=O)[O-] ZINC000833021266 601779744 /nfs/dbraw/zinc/77/97/44/601779744.db2.gz HQFRNURDLXMWRM-JTQLQIEISA-N -1 0 333.457 3.850 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(SC(C)(C)C)cc2)C[C@@H]1C(=O)[O-] ZINC000828378398 601790730 /nfs/dbraw/zinc/79/07/30/601790730.db2.gz QITHZXICTOJMBZ-RISCZKNCSA-N -1 0 336.457 3.762 20 0 EHADRM O=C([O-])c1cccc(NCC(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000833110758 601803259 /nfs/dbraw/zinc/80/32/59/601803259.db2.gz UVWQMYBAKBYUOB-UHFFFAOYSA-N -1 0 339.178 3.742 20 0 EHADRM Cn1c(SCc2ccsc2C(=O)[O-])nnc1-c1ccc(F)cc1 ZINC000833041930 601807202 /nfs/dbraw/zinc/80/72/02/601807202.db2.gz YYTHVIDRQQFVJE-UHFFFAOYSA-N -1 0 349.412 3.673 20 0 EHADRM C[C@@H](SCc1ccc(C(=O)[O-])c(F)c1)C(=O)N(C)c1ccccc1 ZINC000827908723 601813044 /nfs/dbraw/zinc/81/30/44/601813044.db2.gz MVOYRCGCIXAMJJ-GFCCVEGCSA-N -1 0 347.411 3.809 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1 ZINC000537480921 601813563 /nfs/dbraw/zinc/81/35/63/601813563.db2.gz DVPRHYXBVZWAFR-UHFFFAOYSA-N -1 0 344.436 3.527 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2cc(Cl)cc3cccnc32)CC1 ZINC000559367545 601815886 /nfs/dbraw/zinc/81/58/86/601815886.db2.gz JINXMGVVPJWKKD-UHFFFAOYSA-N -1 0 346.814 3.605 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000315559185 601816380 /nfs/dbraw/zinc/81/63/80/601816380.db2.gz FFSYIJZGRJQUIC-UHFFFAOYSA-N -1 0 344.238 3.639 20 0 EHADRM CCCN(CC)c1ccc(C(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000659773549 601817334 /nfs/dbraw/zinc/81/73/34/601817334.db2.gz BYKGKZCWGNEPAM-UHFFFAOYSA-N -1 0 346.471 3.640 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2c[nH]cc2-c2ccc(F)cc2)CC1 ZINC000659774429 601819711 /nfs/dbraw/zinc/81/97/11/601819711.db2.gz JEWRSEMGKWSBGV-UHFFFAOYSA-N -1 0 344.386 3.538 20 0 EHADRM CC[C@@H](CNc1nc(Cl)c(C(=O)[O-])s1)Oc1cccc(F)c1 ZINC000828890455 601829373 /nfs/dbraw/zinc/82/93/73/601829373.db2.gz GMDMHYBBYSYXCO-VIFPVBQESA-N -1 0 344.795 3.903 20 0 EHADRM CCC[C@@](C)(NCc1csc(CCc2ccccc2)n1)C(=O)[O-] ZINC000829203107 601839502 /nfs/dbraw/zinc/83/95/02/601839502.db2.gz URDNMAOMBXJHSH-GOSISDBHSA-N -1 0 332.469 3.661 20 0 EHADRM Cc1sc(NC(=O)c2cc(F)c(C)cc2F)c(C(=O)[O-])c1C ZINC000832887412 601845934 /nfs/dbraw/zinc/84/59/34/601845934.db2.gz XQVUPWNWQIAFDA-UHFFFAOYSA-N -1 0 325.336 3.902 20 0 EHADRM COC(=O)c1ccc(CSCc2ccc(C(=O)[O-])s2)cc1F ZINC000831384770 601846362 /nfs/dbraw/zinc/84/63/62/601846362.db2.gz ASMJUAPGDLSUNJ-UHFFFAOYSA-N -1 0 340.397 3.805 20 0 EHADRM COC(=O)c1ccc(CSCc2ccc(C(=O)[O-])c(F)c2)s1 ZINC000831384952 601846434 /nfs/dbraw/zinc/84/64/34/601846434.db2.gz HRJOECYBTCYYAT-UHFFFAOYSA-N -1 0 340.397 3.805 20 0 EHADRM CCN(Cc1ccccc1)C(=O)CSCc1ccc(C(=O)[O-])s1 ZINC000829722644 601847196 /nfs/dbraw/zinc/84/71/96/601847196.db2.gz PPGABRNFRLPUIX-UHFFFAOYSA-N -1 0 349.477 3.728 20 0 EHADRM C[C@H](NC(=O)CSCc1ccc(C(=O)[O-])s1)c1cccs1 ZINC000827636711 601847207 /nfs/dbraw/zinc/84/72/07/601847207.db2.gz NSOJRJOTWQGYMR-VIFPVBQESA-N -1 0 341.479 3.618 20 0 EHADRM C[C@@H](NC(=O)NCc1cccc(C(=O)[O-])c1)c1ccccc1Cl ZINC000320749336 601848281 /nfs/dbraw/zinc/84/82/81/601848281.db2.gz DIJCMKATLAQQDJ-LLVKDONJSA-N -1 0 332.787 3.599 20 0 EHADRM Cc1cc(F)c(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])cc1F ZINC000832887288 601848861 /nfs/dbraw/zinc/84/88/61/601848861.db2.gz NEPKOTKIICOYKB-UHFFFAOYSA-N -1 0 325.698 3.877 20 0 EHADRM Cc1cc(NC(=O)c2cncc(-c3ccc(C)cc3)c2)c(C(=O)[O-])[nH]1 ZINC000832907398 601860484 /nfs/dbraw/zinc/86/04/84/601860484.db2.gz VCCNHBVOXOABJI-UHFFFAOYSA-N -1 0 335.363 3.644 20 0 EHADRM CC(C)C[C@@H](NC(=O)C1CCC(NC(=O)[O-])CC1)c1cccs1 ZINC000738805524 601886869 /nfs/dbraw/zinc/88/68/69/601886869.db2.gz BKNQFBDQZYBGCZ-JXQTWKCFSA-N -1 0 338.473 3.778 20 0 EHADRM O=Cc1ccc(OCc2ccsc2C(=O)[O-])c(Br)c1 ZINC000833359523 601890718 /nfs/dbraw/zinc/89/07/18/601890718.db2.gz CALORDPOYLANIR-UHFFFAOYSA-N -1 0 341.182 3.600 20 0 EHADRM CC(C)OCc1ccc(NC(=O)[C@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000738864414 601904381 /nfs/dbraw/zinc/90/43/81/601904381.db2.gz VVXNPSQOJNSXCS-QGZVFWFLSA-N -1 0 342.395 3.559 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000537366204 601910478 /nfs/dbraw/zinc/91/04/78/601910478.db2.gz LIMOQWNRIFEUCB-CHWSQXEVSA-N -1 0 338.473 3.728 20 0 EHADRM CC(C)Sc1ccc(C(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC000236630132 601916953 /nfs/dbraw/zinc/91/69/53/601916953.db2.gz MVCZZZBNTDZKNW-UHFFFAOYSA-N -1 0 329.421 3.815 20 0 EHADRM CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC000532254367 601920806 /nfs/dbraw/zinc/92/08/06/601920806.db2.gz KPKSKYUUEDRFNI-RTBURBONSA-N -1 0 337.419 3.928 20 0 EHADRM CC[C@H](NC(=S)Nc1cccc(CC(=O)[O-])c1)c1cccs1 ZINC000737785793 601953248 /nfs/dbraw/zinc/95/32/48/601953248.db2.gz ZDPBPEJWQDQJEQ-ZDUSSCGKSA-N -1 0 334.466 3.813 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])s1)Cc1nc(C(F)(F)F)cs1 ZINC000652433114 601960873 /nfs/dbraw/zinc/96/08/73/601960873.db2.gz RYYCHWLGNFESLM-UHFFFAOYSA-N -1 0 336.360 3.554 20 0 EHADRM Cc1cc(C(=O)NC2(CC(=O)[O-])CCCCC2)c(Cl)cc1F ZINC000537404433 601969661 /nfs/dbraw/zinc/96/96/61/601969661.db2.gz WJUNBSNRZWCJBE-UHFFFAOYSA-N -1 0 327.783 3.695 20 0 EHADRM COc1ccc(N[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)cn1 ZINC000832407318 601971104 /nfs/dbraw/zinc/97/11/04/601971104.db2.gz FDKJLTCLXGEKKB-ZDUSSCGKSA-N -1 0 327.167 3.635 20 0 EHADRM O=C([O-])c1ccc(Cl)cc1OC(=O)/C=C/SCc1ccco1 ZINC000833092658 601973056 /nfs/dbraw/zinc/97/30/56/601973056.db2.gz JEEXVJYFKCRLKS-FNORWQNLSA-N -1 0 338.768 3.984 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000261795159 601982370 /nfs/dbraw/zinc/98/23/70/601982370.db2.gz ZIHNDCPAQHNOPY-IBGZPJMESA-N -1 0 340.379 3.807 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000261603325 601982514 /nfs/dbraw/zinc/98/25/14/601982514.db2.gz CAFJSVASRZAFKS-FQEVSTJZSA-N -1 0 338.407 3.606 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)Nc2ccccc2-c2cccs2)C1 ZINC000263455420 601985690 /nfs/dbraw/zinc/98/56/90/601985690.db2.gz BYCSCWUMBJPRPU-KRWDZBQOSA-N -1 0 330.409 3.744 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000325688618 601987330 /nfs/dbraw/zinc/98/73/30/601987330.db2.gz ISWCNHGYPMJJCK-CYBMUJFWSA-N -1 0 347.436 3.628 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000739248280 601994120 /nfs/dbraw/zinc/99/41/20/601994120.db2.gz FHRBSHPUYCACIR-LBPRGKRZSA-N -1 0 343.383 3.703 20 0 EHADRM COCc1c2ccccc2oc1C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000831807854 601998015 /nfs/dbraw/zinc/99/80/15/601998015.db2.gz YJNLTSHQDVWEDG-UHFFFAOYSA-N -1 0 346.360 3.696 20 0 EHADRM O=C([O-])c1ccc(COC(=O)/C=C\c2nc3ccccc3s2)s1 ZINC000833095661 601998538 /nfs/dbraw/zinc/99/85/38/601998538.db2.gz PWRVRGVZSJUFCN-FPLPWBNLSA-N -1 0 345.401 3.813 20 0 EHADRM C[C@@H](C(=O)N(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1)C1CCCC1 ZINC000825966479 601999920 /nfs/dbraw/zinc/99/99/20/601999920.db2.gz DRDDYACWSMRCEV-RFAUZJTJSA-N -1 0 343.345 3.514 20 0 EHADRM Cc1ccc(-c2cc(C(=O)OCc3ccc(C(=O)[O-])s3)on2)cc1 ZINC000832905682 602002540 /nfs/dbraw/zinc/00/25/40/602002540.db2.gz GNIDGIDWDZLDFG-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cc(Br)cs2)s1 ZINC000833314983 602007262 /nfs/dbraw/zinc/00/72/62/602007262.db2.gz CCXPDUNVXCSRHT-UHFFFAOYSA-N -1 0 347.211 3.627 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)c2sc3cc(F)ccc3c2Cl)C1 ZINC000316082873 602008552 /nfs/dbraw/zinc/00/85/52/602008552.db2.gz IVEYLRZPVVXIMU-HNNXBMFYSA-N -1 0 341.791 3.631 20 0 EHADRM CN(C(=O)CCC1CCCC1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830472683 602015833 /nfs/dbraw/zinc/01/58/33/602015833.db2.gz YCSZAYFPRIQATD-MRXNPFEDSA-N -1 0 343.345 3.658 20 0 EHADRM CCC[C@H]1C[C@@H]1NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000829256422 602023464 /nfs/dbraw/zinc/02/34/64/602023464.db2.gz OWPKRRWMQAGHGK-UFBFGSQYSA-N -1 0 330.306 3.714 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)c1[nH]c2ccccc2c1Cl ZINC000262177738 602023470 /nfs/dbraw/zinc/02/34/70/602023470.db2.gz MDACROKBLDUWIC-UHFFFAOYSA-N -1 0 336.819 3.976 20 0 EHADRM CCOc1ccc(NC(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])c(C)c1 ZINC000830085109 602034689 /nfs/dbraw/zinc/03/46/89/602034689.db2.gz OCORXUNJXIFWSD-NVXWUHKLSA-N -1 0 348.443 3.939 20 0 EHADRM COc1cc(C)ccc1NC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000831967013 602034748 /nfs/dbraw/zinc/03/47/48/602034748.db2.gz NPNZEZQNWJNMEQ-KBPBESRZSA-N -1 0 334.416 3.549 20 0 EHADRM CSCCc1ccc(NC(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC000832766935 602038099 /nfs/dbraw/zinc/03/80/99/602038099.db2.gz RVEKPNQAHURXKZ-UHFFFAOYSA-N -1 0 344.436 3.612 20 0 EHADRM O=C([O-])N1CCC(CC(=O)N2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000740497405 602039528 /nfs/dbraw/zinc/03/95/28/602039528.db2.gz PMUHSRFRKWXPMY-SFHVURJKSA-N -1 0 344.455 3.563 20 0 EHADRM O=C([O-])NC1CCC(C(=O)Nc2cccc(SC(F)F)c2)CC1 ZINC000740553880 602039900 /nfs/dbraw/zinc/03/99/00/602039900.db2.gz XXOCDPJJXGFHIO-UHFFFAOYSA-N -1 0 344.383 3.766 20 0 EHADRM CC(C)N(CCC(=O)Nc1cccc(SC(F)F)c1)C(=O)[O-] ZINC000738844182 602039945 /nfs/dbraw/zinc/03/99/45/602039945.db2.gz PWDJRTFJDZAGPX-UHFFFAOYSA-N -1 0 332.372 3.718 20 0 EHADRM CCSc1cccc(NC(=O)NCc2cccc(C(=O)[O-])c2)c1 ZINC000830169677 602040617 /nfs/dbraw/zinc/04/06/17/602040617.db2.gz VKSNRXKGSSDCAX-UHFFFAOYSA-N -1 0 330.409 3.819 20 0 EHADRM O=C([O-])C[C@H]1CN(Cc2ccn(C3CCCC3)n2)c2ccccc21 ZINC000391654030 602044987 /nfs/dbraw/zinc/04/49/87/602044987.db2.gz HFHHKMWREXUSGI-AWEZNQCLSA-N -1 0 325.412 3.577 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)Nc1c(F)cc(F)cc1F ZINC000833150771 602045597 /nfs/dbraw/zinc/04/55/97/602045597.db2.gz PMRFRXARKKTOEF-GXFFZTMASA-N -1 0 344.333 3.649 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)Nc1c(F)cc(F)cc1F ZINC000833150778 602045790 /nfs/dbraw/zinc/04/57/90/602045790.db2.gz PMRFRXARKKTOEF-ZWNOBZJWSA-N -1 0 344.333 3.649 20 0 EHADRM C[C@H](NC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC000261934784 602055131 /nfs/dbraw/zinc/05/51/31/602055131.db2.gz KEERYYLTYMNLBV-BJOHPYRUSA-N -1 0 345.226 3.561 20 0 EHADRM CCC[C@@H](NC(=O)N1CCC[C@H](CN(C)C(=O)[O-])C1)c1ccccc1 ZINC000739303993 602064219 /nfs/dbraw/zinc/06/42/19/602064219.db2.gz NLYSBGKERRJSNC-NVXWUHKLSA-N -1 0 347.459 3.559 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)c1 ZINC000238148144 602067017 /nfs/dbraw/zinc/06/70/17/602067017.db2.gz BOZXMEVEYPSVTB-WIYYLYMNSA-N -1 0 335.403 3.546 20 0 EHADRM Cc1ccc2c(CCC(=O)Nc3cccc(CC(=O)[O-])c3)c[nH]c2c1 ZINC000818929876 602068511 /nfs/dbraw/zinc/06/85/11/602068511.db2.gz YXCPHDXSLZVIRH-UHFFFAOYSA-N -1 0 336.391 3.675 20 0 EHADRM Cc1nc(CC(C)C)c(C(=O)Nc2cccc(CC(=O)[O-])c2)s1 ZINC000262771096 602071961 /nfs/dbraw/zinc/07/19/61/602071961.db2.gz UOXWMZRILIHFCZ-UHFFFAOYSA-N -1 0 332.425 3.529 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)OC/C(Cl)=C\Cl)C(=O)[O-] ZINC000827922762 602084703 /nfs/dbraw/zinc/08/47/03/602084703.db2.gz YDAUWIVKZTUBCF-CYXIBPNKSA-N -1 0 335.208 3.728 20 0 EHADRM Cc1cccc([C@H](NC(=O)N2CC[C@](C)(C(=O)[O-])C2)C(C)(C)C)c1 ZINC000263209967 602086973 /nfs/dbraw/zinc/08/69/73/602086973.db2.gz IQCKGIJSQQZUHS-KXBFYZLASA-N -1 0 332.444 3.588 20 0 EHADRM O=C([O-])[C@H](OC(=O)CCc1ccoc1)c1cc(Cl)cc(Cl)c1 ZINC000833103459 602089698 /nfs/dbraw/zinc/08/96/98/602089698.db2.gz LPFBOGDEAXPITQ-CQSZACIVSA-N -1 0 343.162 3.888 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)N1CCCC[C@H]1c1ccco1 ZINC000833224685 602095397 /nfs/dbraw/zinc/09/53/97/602095397.db2.gz PADFTVQAXUAKDJ-HNNXBMFYSA-N -1 0 336.432 3.941 20 0 EHADRM C[C@H]1Cc2ccccc2CN1C(=O)NCCCCCCCC(=O)[O-] ZINC000828515665 602096602 /nfs/dbraw/zinc/09/66/02/602096602.db2.gz DMFGDAACLPNPSL-HNNXBMFYSA-N -1 0 332.444 3.568 20 0 EHADRM Cc1cc(C(=O)Oc2ccccc2C(=O)[O-])c(Br)s1 ZINC000832869574 602098303 /nfs/dbraw/zinc/09/83/03/602098303.db2.gz DIMLVQGYBBTBIL-UHFFFAOYSA-N -1 0 341.182 3.736 20 0 EHADRM Cc1oc(CS[C@@H](C)c2cn(-c3ccccc3)nn2)cc1C(=O)[O-] ZINC000833027347 602100645 /nfs/dbraw/zinc/10/06/45/602100645.db2.gz SIJXTUGDVOSSNS-LBPRGKRZSA-N -1 0 343.408 3.861 20 0 EHADRM CSc1cc(C(=O)NC2(C(=O)[O-])CCCC2)c(Cl)cc1Cl ZINC000237297190 602108836 /nfs/dbraw/zinc/10/88/36/602108836.db2.gz ZFVLLRMYQWGAJN-UHFFFAOYSA-N -1 0 348.251 3.843 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1cc(C(F)(F)F)ccc1F ZINC000317319484 602120310 /nfs/dbraw/zinc/12/03/10/602120310.db2.gz ZGGPKLKJYHWLLO-UHFFFAOYSA-N -1 0 333.262 3.857 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)Nc1ccc2oc(C(C)C)nc2c1 ZINC000739230753 602121595 /nfs/dbraw/zinc/12/15/95/602121595.db2.gz GHIOFJAPNCLQQY-IINYFYTJSA-N -1 0 333.388 3.572 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1 ZINC000827311068 602138525 /nfs/dbraw/zinc/13/85/25/602138525.db2.gz PKAPJPDMRVLWTE-KBPBESRZSA-N -1 0 326.396 3.909 20 0 EHADRM C[C@@H](NC(=O)[C@@H](C)CC(=O)[O-])c1ccc(Oc2ccccc2)cc1 ZINC000827272673 602138571 /nfs/dbraw/zinc/13/85/71/602138571.db2.gz PDSSEIWLDOBXCE-UONOGXRCSA-N -1 0 327.380 3.767 20 0 EHADRM CSc1cc(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)c(Cl)cc1Cl ZINC000237299223 602149413 /nfs/dbraw/zinc/14/94/13/602149413.db2.gz JAIHJHMGKIEWEY-CQSZACIVSA-N -1 0 348.251 3.698 20 0 EHADRM C[C@H](COc1ccccc1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000827525104 602152391 /nfs/dbraw/zinc/15/23/91/602152391.db2.gz PVUMALLEMNKJMP-CQSZACIVSA-N -1 0 341.407 3.702 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000829009344 602152926 /nfs/dbraw/zinc/15/29/26/602152926.db2.gz BWHSLODPXPDVAV-KDOFPFPSSA-N -1 0 345.439 3.719 20 0 EHADRM COc1cc(OC)cc([C@@H](Nc2ccc(C)c(Cl)c2)C(=O)[O-])c1 ZINC000832063919 602162860 /nfs/dbraw/zinc/16/28/60/602162860.db2.gz BKSWOWWCSXMHFE-MRXNPFEDSA-N -1 0 335.787 3.903 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC)C(=O)NC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739267776 602165158 /nfs/dbraw/zinc/16/51/58/602165158.db2.gz ZYDHKWZHYZDSCW-RDJZCZTQSA-N -1 0 347.459 3.559 20 0 EHADRM COc1cc(OC)cc([C@@H](Nc2cccc([C@H](C)OC)c2)C(=O)[O-])c1 ZINC000832067833 602170436 /nfs/dbraw/zinc/17/04/36/602170436.db2.gz SDZZTEMDYITHHE-KPZWWZAWSA-N -1 0 345.395 3.649 20 0 EHADRM CCSc1ccc(C(=O)Nc2cccc(CN(C)C(=O)[O-])c2)cn1 ZINC000739518043 602170835 /nfs/dbraw/zinc/17/08/35/602170835.db2.gz OMKRUHDIEPEUCE-UHFFFAOYSA-N -1 0 345.424 3.556 20 0 EHADRM COc1ccccc1C(C)=CC(=O)Nc1ccccc1NC(=O)[O-] ZINC000739957039 602173019 /nfs/dbraw/zinc/17/30/19/602173019.db2.gz YLNHUFUQTGZKPY-VAWYXSNFSA-N -1 0 326.352 3.827 20 0 EHADRM CC(C)C(=O)Nc1ccc(C(=O)Nc2ccccc2NC(=O)[O-])cc1 ZINC000738765719 602175029 /nfs/dbraw/zinc/17/50/29/602175029.db2.gz OCQCJBAVJAJIRM-UHFFFAOYSA-N -1 0 341.367 3.623 20 0 EHADRM CN(C)c1nc2cc(N[C@@H](C(=O)[O-])c3cccc(Cl)c3)ccc2o1 ZINC000830651589 602177994 /nfs/dbraw/zinc/17/79/94/602177994.db2.gz UOOUWGVDQMXFNH-OAHLLOKOSA-N -1 0 345.786 3.785 20 0 EHADRM COc1ccccc1[C@H]1CCCN1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000738124441 602180601 /nfs/dbraw/zinc/18/06/01/602180601.db2.gz NCFVSTZJQOXATM-MRXNPFEDSA-N -1 0 340.379 3.762 20 0 EHADRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])cs2)c(Br)s1 ZINC000832865040 602185763 /nfs/dbraw/zinc/18/57/63/602185763.db2.gz JLQUJNAHDMAMDE-UHFFFAOYSA-N -1 0 346.227 3.831 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2cccnc2SC(F)(F)F)c1 ZINC000191384451 602185894 /nfs/dbraw/zinc/18/58/94/602185894.db2.gz VZADJPAPUBBJFY-UHFFFAOYSA-N -1 0 348.327 3.706 20 0 EHADRM COc1ccc(C2(C(=O)Nc3cc(C(=O)[O-])cs3)CCC2)cc1 ZINC000832264377 602187203 /nfs/dbraw/zinc/18/72/03/602187203.db2.gz BHYIWNZLMJXPHC-UHFFFAOYSA-N -1 0 331.393 3.515 20 0 EHADRM CC(C)CC1CCN(C(=O)NCCc2ccc(NC(=O)[O-])cc2)CC1 ZINC000826841182 602196712 /nfs/dbraw/zinc/19/67/12/602196712.db2.gz WKMQGKDPFVTAOO-UHFFFAOYSA-N -1 0 347.459 3.787 20 0 EHADRM Cc1ccccc1-c1nc(CN2C[C@@H](CC(=O)[O-])c3ccccc32)no1 ZINC000832974172 602205109 /nfs/dbraw/zinc/20/51/09/602205109.db2.gz FOWBDYDMNADRFZ-CQSZACIVSA-N -1 0 349.390 3.624 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)[C@H]1C ZINC000828278880 602224307 /nfs/dbraw/zinc/22/43/07/602224307.db2.gz STYXSCCEBVUVQR-OLZOCXBDSA-N -1 0 342.395 3.565 20 0 EHADRM CCC1(NC(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)CCC1 ZINC000829065499 602227610 /nfs/dbraw/zinc/22/76/10/602227610.db2.gz LFXSGLHGLNJDPD-UHFFFAOYSA-N -1 0 342.395 3.757 20 0 EHADRM O=C([O-])NCCCC(=O)O[C@H](c1ccccc1)c1cccc(F)c1 ZINC000739965583 602228125 /nfs/dbraw/zinc/22/81/25/602228125.db2.gz AGXKFRVWQLCMQZ-QGZVFWFLSA-N -1 0 331.343 3.506 20 0 EHADRM O=C([O-])NCCCC(=O)O[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000739965582 602228173 /nfs/dbraw/zinc/22/81/73/602228173.db2.gz AGXKFRVWQLCMQZ-KRWDZBQOSA-N -1 0 331.343 3.506 20 0 EHADRM C[C@@H]1CC[C@H](C)N1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000828213591 602228573 /nfs/dbraw/zinc/22/85/73/602228573.db2.gz AQJNNAZJCNOQSS-BETUJISGSA-N -1 0 342.395 3.708 20 0 EHADRM Cc1ccc(NC(=O)c2cccn2C2CCN(C(=O)[O-])CC2)cc1F ZINC000740139884 602229670 /nfs/dbraw/zinc/22/96/70/602229670.db2.gz XLXTXDJWHBQNRS-UHFFFAOYSA-N -1 0 345.374 3.503 20 0 EHADRM COc1cccc(C=C2CCN(Cc3cc(C)c(C(=O)[O-])o3)CC2)c1 ZINC000832545682 602230765 /nfs/dbraw/zinc/23/07/65/602230765.db2.gz LXCJJJYTHABUJH-UHFFFAOYSA-N -1 0 341.407 3.974 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)Nc1ccc(Cl)cn1)c1ccccc1 ZINC000826103004 602233840 /nfs/dbraw/zinc/23/38/40/602233840.db2.gz LSURLAVOZCGLOT-CQSZACIVSA-N -1 0 347.802 3.709 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)Nc1ccc(F)cc1F)c1ccccc1 ZINC000826103997 602234014 /nfs/dbraw/zinc/23/40/14/602234014.db2.gz ZWSOKTKQQPNXIB-OAHLLOKOSA-N -1 0 348.349 3.938 20 0 EHADRM Cc1ccc(-n2c(SCC(=O)[O-])nnc2-c2ccc(F)cc2)cc1 ZINC000832910251 602239564 /nfs/dbraw/zinc/23/95/64/602239564.db2.gz WEGGHSXTFCVZMF-UHFFFAOYSA-N -1 0 343.383 3.559 20 0 EHADRM CC(=O)c1cccc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)c1 ZINC000825959872 602240146 /nfs/dbraw/zinc/24/01/46/602240146.db2.gz BHQNCQVQADOCKP-UHFFFAOYSA-N -1 0 341.363 3.627 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)c3ccc(-n4cccc4)cc3)ccc21 ZINC000740470809 602242417 /nfs/dbraw/zinc/24/24/17/602242417.db2.gz PKPQNUYHECFMMU-UHFFFAOYSA-N -1 0 347.374 3.770 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)c3ccc(Cl)cc3F)ccc21 ZINC000740471665 602242443 /nfs/dbraw/zinc/24/24/43/602242443.db2.gz YXTYVCVZLKAPDL-UHFFFAOYSA-N -1 0 334.734 3.772 20 0 EHADRM C/C=C(/C=C\C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1)CC ZINC000828543494 602249935 /nfs/dbraw/zinc/24/99/35/602249935.db2.gz VLNPWDXFLZHPDA-VMTDUWPYSA-N -1 0 331.397 3.687 20 0 EHADRM CC(C)[C@H](NC(=O)CCCNC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000736358657 602255063 /nfs/dbraw/zinc/25/50/63/602255063.db2.gz LWUDGHSHRBRUBA-AWEZNQCLSA-N -1 0 346.349 3.567 20 0 EHADRM CCOCCC1(CNC(=O)Nc2cccc(C(=O)[O-])c2C)CCCC1 ZINC000829994164 602275046 /nfs/dbraw/zinc/27/50/46/602275046.db2.gz HQEWOAOZYXBBCG-UHFFFAOYSA-N -1 0 348.443 3.802 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)OCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000827342115 602275677 /nfs/dbraw/zinc/27/56/77/602275677.db2.gz RRNQIXVNSKFAMR-ZDUSSCGKSA-N -1 0 346.354 3.559 20 0 EHADRM CC(C)(NC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])c1ccccc1 ZINC000738754207 602277524 /nfs/dbraw/zinc/27/75/24/602277524.db2.gz HEFJKWLNDSZSIU-UHFFFAOYSA-N -1 0 339.395 3.784 20 0 EHADRM Cc1ccc(CNC(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])c(C)c1 ZINC000740130201 602279277 /nfs/dbraw/zinc/27/92/77/602279277.db2.gz RDVCJWVAVHKTDQ-UHFFFAOYSA-N -1 0 339.395 3.666 20 0 EHADRM Cc1c(Cl)c(C(=O)[O-])nn1CN1CCC[C@H]1c1cc(C)ccc1C ZINC000832926367 602301560 /nfs/dbraw/zinc/30/15/60/602301560.db2.gz RXWVFQWXCBQMCF-HNNXBMFYSA-N -1 0 347.846 3.955 20 0 EHADRM Cc1cc2oc(=O)cc(CNc3ccc(C(=O)[O-])c(F)c3)c2cc1C ZINC000832906606 602302167 /nfs/dbraw/zinc/30/21/67/602302167.db2.gz OQZFYZFYMVSEIP-UHFFFAOYSA-N -1 0 341.338 3.859 20 0 EHADRM COc1ccc(-c2cnc(CNc3ccc(C(=O)[O-])c(F)c3)o2)cc1 ZINC000832124522 602302254 /nfs/dbraw/zinc/30/22/54/602302254.db2.gz PXSMKKDHTYEUOX-UHFFFAOYSA-N -1 0 342.326 3.800 20 0 EHADRM CC(C)c1ccc([C@H]2C[C@H]2C(=O)N(C)c2ncc(C(=O)[O-])s2)cc1 ZINC000827117592 602329996 /nfs/dbraw/zinc/32/99/96/602329996.db2.gz DPXVTQQMJCAQPG-ZIAGYGMSSA-N -1 0 344.436 3.731 20 0 EHADRM C[C@@H](NC(=O)C1CCC(NC(=O)[O-])CC1)c1ccc2c(c1)CCCC2 ZINC000738954908 602346787 /nfs/dbraw/zinc/34/67/87/602346787.db2.gz PDBJZUZNUSOSRS-MJJDPTRDSA-N -1 0 344.455 3.569 20 0 EHADRM CC(C)c1cccc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)n1 ZINC000827129841 602349501 /nfs/dbraw/zinc/34/95/01/602349501.db2.gz WSPXKWJZBFXXEL-UHFFFAOYSA-N -1 0 342.395 3.701 20 0 EHADRM CC(C)C[C@H]1CCCN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)C1 ZINC000826831718 602352521 /nfs/dbraw/zinc/35/25/21/602352521.db2.gz FWCJGSGCRQFSBU-MRXNPFEDSA-N -1 0 332.444 3.994 20 0 EHADRM O=C([O-])c1ccc(NC(=O)/C=C/c2ccnc3ccccc23)cc1F ZINC000761746923 602353492 /nfs/dbraw/zinc/35/34/92/602353492.db2.gz ZPNRZUBRCRNJLN-VMPITWQZSA-N -1 0 336.322 3.724 20 0 EHADRM CCSc1ccc([C@@H](C)NC(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1 ZINC000830169752 602357091 /nfs/dbraw/zinc/35/70/91/602357091.db2.gz XLOOKITUAMGZQF-LLVKDONJSA-N -1 0 347.440 3.718 20 0 EHADRM CSCc1cc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)ccc1F ZINC000776646699 602357682 /nfs/dbraw/zinc/35/76/82/602357682.db2.gz LGQNJFONWKXDIV-UHFFFAOYSA-N -1 0 337.347 3.778 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000776645920 602357716 /nfs/dbraw/zinc/35/77/16/602357716.db2.gz DYIXHXWZGOLANO-KFNAQCHYSA-N -1 0 337.391 3.836 20 0 EHADRM CC[C@H](NC(=O)C1CCC(NC(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000739258711 602360662 /nfs/dbraw/zinc/36/06/62/602360662.db2.gz ITUQXWJFUIDEJO-ZALBZXLWSA-N -1 0 338.835 3.734 20 0 EHADRM CCCn1ccc2cc(NC(=O)Nc3cc(C(=O)[O-])n(C)c3)ccc21 ZINC000829585032 602362926 /nfs/dbraw/zinc/36/29/26/602362926.db2.gz BEOOVYKHTDZZNQ-UHFFFAOYSA-N -1 0 340.383 3.732 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H](c2ccccc2)C2CC2)cc1F ZINC000833155227 602369431 /nfs/dbraw/zinc/36/94/31/602369431.db2.gz WOSZNQONSNBYQB-MRXNPFEDSA-N -1 0 328.343 3.797 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCC[C@@H]2Cc2ccccc2)cc1F ZINC000833319895 602372314 /nfs/dbraw/zinc/37/23/14/602372314.db2.gz PCYMGESCXFLXSG-OAHLLOKOSA-N -1 0 342.370 3.763 20 0 EHADRM CCC(CC)c1cc(CNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)on1 ZINC000828862530 602375923 /nfs/dbraw/zinc/37/59/23/602375923.db2.gz MSJFTQAJQMOBMY-UHFFFAOYSA-N -1 0 349.362 3.737 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(C(=O)[O-])c(F)c2)o1 ZINC000832928935 602387198 /nfs/dbraw/zinc/38/71/98/602387198.db2.gz ZCJWGASYZPVDCZ-AWEZNQCLSA-N -1 0 332.331 3.794 20 0 EHADRM Cc1ccc(C)c([C@@H]2CCCN2C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000245752252 602392156 /nfs/dbraw/zinc/39/21/56/602392156.db2.gz UGTPVOQDGBCJAK-JZXOWHBKSA-N -1 0 329.440 3.858 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2ccccc2OCC(F)F)c1 ZINC000833292012 602393439 /nfs/dbraw/zinc/39/34/39/602393439.db2.gz YRBZKEWRKVDBHA-UHFFFAOYSA-N -1 0 336.294 3.673 20 0 EHADRM Cc1ccc(Cl)c(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)c1 ZINC000832935617 602393450 /nfs/dbraw/zinc/39/34/50/602393450.db2.gz UYZAAGBDJAWISY-UHFFFAOYSA-N -1 0 342.782 3.940 20 0 EHADRM C[C@H](C(=O)N(CC(=O)[O-])C1CCCC1)c1ccccc1C(F)(F)F ZINC000825972361 602400293 /nfs/dbraw/zinc/40/02/93/602400293.db2.gz ORRBNIKGMYUSMW-NSHDSACASA-N -1 0 343.345 3.665 20 0 EHADRM Cc1cccc(O[C@H](C)c2nc([C@@H](CC(C)C)NC(=O)[O-])no2)c1 ZINC000740171964 602408093 /nfs/dbraw/zinc/40/80/93/602408093.db2.gz QLOWXIJRTQYHBU-TZMCWYRMSA-N -1 0 333.388 3.873 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc([C@@H]2C[C@@H]2c2ccc(F)cc2)n1 ZINC000738814507 602409421 /nfs/dbraw/zinc/40/94/21/602409421.db2.gz CLCNRBNARZVCBT-MCIONIFRSA-N -1 0 333.363 3.835 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(CCc2cccc(Cl)c2)n1 ZINC000738822399 602409772 /nfs/dbraw/zinc/40/97/72/602409772.db2.gz IVQIWFHNIMVXNQ-CYBMUJFWSA-N -1 0 337.807 3.863 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(C[C@H](C)c2ccc(F)cc2)n1 ZINC000738817963 602409918 /nfs/dbraw/zinc/40/99/18/602409918.db2.gz WDECVQXUTPKDMZ-SMDDNHRTSA-N -1 0 335.379 3.910 20 0 EHADRM Cc1cccc(CSCc2nc(C3(NC(=O)[O-])CCCC3)no2)c1 ZINC000740166692 602413493 /nfs/dbraw/zinc/41/34/93/602413493.db2.gz NNSLAVXFPGQIFY-UHFFFAOYSA-N -1 0 347.440 3.848 20 0 EHADRM O=C([O-])NC1(c2noc(-c3cc4c(cccc4F)s3)n2)CCC1 ZINC000740548168 602417960 /nfs/dbraw/zinc/41/79/60/602417960.db2.gz OOXYUZYESIMBRK-UHFFFAOYSA-N -1 0 333.344 3.737 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)N(Cc2cccs2)C2CC2)c1 ZINC000740676021 602451927 /nfs/dbraw/zinc/45/19/27/602451927.db2.gz KRFZHSPATNWOLE-UHFFFAOYSA-N -1 0 345.424 3.712 20 0 EHADRM CN(Cc1ccccc1F)C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000739708818 602454256 /nfs/dbraw/zinc/45/42/56/602454256.db2.gz AGZQPCOROHOXDC-QGZVFWFLSA-N -1 0 344.386 3.573 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)N1CCC[C@H]1C1CCCC1)c1ccccc1 ZINC000740540939 602463656 /nfs/dbraw/zinc/46/36/56/602463656.db2.gz XUHLSQCQNLUAMS-MSOLQXFVSA-N -1 0 344.455 3.957 20 0 EHADRM Cc1cccc2sc(C(=O)N(C)[C@@H](C)CNC(=O)[O-])c(Cl)c21 ZINC000740178401 602466212 /nfs/dbraw/zinc/46/62/12/602466212.db2.gz HXWMUMUSAHGQIC-VIFPVBQESA-N -1 0 340.832 3.591 20 0 EHADRM CN(Cc1ccccc1NC(=O)c1cccc(C(F)F)c1)C(=O)[O-] ZINC000739716938 602466466 /nfs/dbraw/zinc/46/64/66/602466466.db2.gz HRQRTTMYLLUDBG-UHFFFAOYSA-N -1 0 334.322 3.986 20 0 EHADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)c1cc2sc3ccccc3c2s1 ZINC000738934959 602468751 /nfs/dbraw/zinc/46/87/51/602468751.db2.gz VTVHBNLRJKEDNV-VIFPVBQESA-N -1 0 348.449 3.844 20 0 EHADRM C[C@@H](CCc1ccccc1)NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000738910371 602480873 /nfs/dbraw/zinc/48/08/73/602480873.db2.gz WVJPHEQHAWQQKM-LBPRGKRZSA-N -1 0 330.359 3.667 20 0 EHADRM O=C([O-])Nc1cc(C(=O)NCCc2cccc(Cl)c2)ccc1F ZINC000740694926 602482050 /nfs/dbraw/zinc/48/20/50/602482050.db2.gz BXVAKPNBYNHVSG-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM Cc1cccc(OCCCC(=O)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000740172948 602499494 /nfs/dbraw/zinc/49/94/94/602499494.db2.gz KDGBZDRZBJBNDY-UHFFFAOYSA-N -1 0 328.368 3.883 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2csc(Br)c2)cc1 ZINC000740711695 602502354 /nfs/dbraw/zinc/50/23/54/602502354.db2.gz IYALEFBWKABBQN-UHFFFAOYSA-N -1 0 341.186 3.853 20 0 EHADRM CCCN(C)c1ccc(C(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000739349213 602504356 /nfs/dbraw/zinc/50/43/56/602504356.db2.gz KTVQGGGSGFZVMA-UHFFFAOYSA-N -1 0 327.384 3.875 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)c3ccc4c(c3)CCC4)ccc21 ZINC000740471339 602507313 /nfs/dbraw/zinc/50/73/13/602507313.db2.gz FCRISYQMAQDVDG-UHFFFAOYSA-N -1 0 336.391 3.858 20 0 EHADRM Cc1ccc(CNC(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])cc1 ZINC000740131235 602554486 /nfs/dbraw/zinc/55/44/86/602554486.db2.gz YXMLJABPMADXNV-UHFFFAOYSA-N -1 0 339.395 3.747 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2c[nH]nc2-c2ccc(F)cc2)cc1 ZINC000740711794 602576258 /nfs/dbraw/zinc/57/62/58/602576258.db2.gz DNFRLZKQSWAPII-UHFFFAOYSA-N -1 0 340.314 3.558 20 0 EHADRM C[C@H](CC(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-])n1cccc1 ZINC000738890292 602576665 /nfs/dbraw/zinc/57/66/65/602576665.db2.gz GJOFSTBJUJEZLE-CYBMUJFWSA-N -1 0 327.384 3.509 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-])n1cccc1 ZINC000738890293 602576761 /nfs/dbraw/zinc/57/67/61/602576761.db2.gz GJOFSTBJUJEZLE-ZDUSSCGKSA-N -1 0 327.384 3.509 20 0 EHADRM Cc1cc(F)ccc1NC(=O)N1CCC[C@H]([C@@H]2CCCN2C(=O)[O-])C1 ZINC000740076619 602582399 /nfs/dbraw/zinc/58/23/99/602582399.db2.gz AJNMLYKUSMLCAC-BBRMVZONSA-N -1 0 349.406 3.520 20 0 EHADRM CCC1(C)CCN(C(=O)Nc2ccc(NC(=O)[O-])c(OC)c2)CC1 ZINC000739264243 602588394 /nfs/dbraw/zinc/58/83/94/602588394.db2.gz MHEMIGVRQOBLRV-UHFFFAOYSA-N -1 0 335.404 3.829 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NCC2CCC2)c(C(F)(F)F)c1 ZINC000740710064 602598517 /nfs/dbraw/zinc/59/85/17/602598517.db2.gz JTOORZSBYVPZEW-UHFFFAOYSA-N -1 0 331.294 3.717 20 0 EHADRM Cc1cc(-c2ccccc2)ccc1NC(=O)N(C)[C@H](C)CNC(=O)[O-] ZINC000740047033 602599987 /nfs/dbraw/zinc/59/99/87/602599987.db2.gz BHBWAOZNDJRMHO-CQSZACIVSA-N -1 0 341.411 3.782 20 0 EHADRM CCCOc1ccc(CNC(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000739366619 602600781 /nfs/dbraw/zinc/60/07/81/602600781.db2.gz ZCZWCEQLRDRNGN-UHFFFAOYSA-N -1 0 343.383 3.887 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)cc1 ZINC000740710081 602601098 /nfs/dbraw/zinc/60/10/98/602601098.db2.gz JWENFYAUWYSJDN-HUUCEWRRSA-N -1 0 329.331 3.593 20 0 EHADRM C[C@@H](CCc1ccc(O)cc1)NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738908435 602601976 /nfs/dbraw/zinc/60/19/76/602601976.db2.gz PZTIJXIOPRVOII-LBPRGKRZSA-N -1 0 343.383 3.625 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NCCCOCc2ccccc2)cc1 ZINC000740710983 602602648 /nfs/dbraw/zinc/60/26/48/602602648.db2.gz OQIKAAOIDOLCGS-UHFFFAOYSA-N -1 0 343.383 3.505 20 0 EHADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)Nc1ccc(SC(C)(C)C)cc1 ZINC000738932252 602604542 /nfs/dbraw/zinc/60/45/42/602604542.db2.gz JUGUQGSJCGIIFD-NSHDSACASA-N -1 0 339.461 3.697 20 0 EHADRM COc1cccc(SCC(=O)Nc2ccccc2NC(=O)[O-])c1 ZINC000739957059 602625788 /nfs/dbraw/zinc/62/57/88/602625788.db2.gz URFUDHOFIOOSKL-UHFFFAOYSA-N -1 0 332.381 3.516 20 0 EHADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000739313002 602640612 /nfs/dbraw/zinc/64/06/12/602640612.db2.gz LUSIMDHBNYYESQ-DOTOQJQBSA-N -1 0 343.427 3.658 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cc(F)c(Cl)nc2Cl)cc1 ZINC000738667257 602644216 /nfs/dbraw/zinc/64/42/16/602644216.db2.gz MZFMYYJTNSAEBU-UHFFFAOYSA-N -1 0 344.129 3.870 20 0 EHADRM O=C([O-])NC1(C(=O)OCc2cc(Cl)cc3cccnc32)CCCC1 ZINC000740544507 602654579 /nfs/dbraw/zinc/65/45/79/602654579.db2.gz IJTUESYPDJGMNW-UHFFFAOYSA-N -1 0 348.786 3.512 20 0 EHADRM Cc1ccccc1-n1cc(C(=O)Nc2ccccc2NC(=O)[O-])cn1 ZINC000740178422 602687223 /nfs/dbraw/zinc/68/72/23/602687223.db2.gz ISSIXASYLHPKDS-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM O=C([O-])N1CC[C@@H](CCNC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000740425139 602690146 /nfs/dbraw/zinc/69/01/46/602690146.db2.gz DEJIQQLQLIALJK-SECBINFHSA-N -1 0 346.214 3.505 20 0 EHADRM Cc1ncc(/C=C\C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])s1 ZINC000740233173 602703716 /nfs/dbraw/zinc/70/37/16/602703716.db2.gz IKQBXKHHIGHOMM-ALCCZGGFSA-N -1 0 343.408 3.534 20 0 EHADRM C[C@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000736715883 602710883 /nfs/dbraw/zinc/71/08/83/602710883.db2.gz BYWJXXNGIDCAMB-LLVKDONJSA-N -1 0 329.356 3.707 20 0 EHADRM C[C@H](CC(=O)Nc1ccccc1NC(=O)[O-])C(=O)c1ccccc1 ZINC000738892940 602711874 /nfs/dbraw/zinc/71/18/74/602711874.db2.gz WVBXIXAHXPBGNN-GFCCVEGCSA-N -1 0 326.352 3.624 20 0 EHADRM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)CC1CCN(C(=O)[O-])CC1 ZINC000740184483 602716404 /nfs/dbraw/zinc/71/64/04/602716404.db2.gz YZWKRPZQRMNORB-IBGZPJMESA-N -1 0 346.471 3.931 20 0 EHADRM CC(C)N(Cc1ccccn1)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000736472344 602723989 /nfs/dbraw/zinc/72/39/89/602723989.db2.gz UTTKWNQMCCCVIK-UHFFFAOYSA-N -1 0 328.372 3.614 20 0 EHADRM O=C([O-])N[C@@H]1CCN(C(=O)c2cc3sc4ccccc4c3s2)C1 ZINC000740585579 602747993 /nfs/dbraw/zinc/74/79/93/602747993.db2.gz IICBTXVPWPCJHM-SECBINFHSA-N -1 0 346.433 3.598 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2ccc(OCC3CC3)cc2)c1 ZINC000740033788 602751919 /nfs/dbraw/zinc/75/19/19/602751919.db2.gz OAPNSXMKFMTNGW-UHFFFAOYSA-N -1 0 326.352 3.818 20 0 EHADRM CC(C)N(Cc1ccco1)C(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823654796 602761592 /nfs/dbraw/zinc/76/15/92/602761592.db2.gz MJNSBNITOHOXPP-WMLDXEAASA-N -1 0 344.411 3.662 20 0 EHADRM CC(C)CC[C@H](NC(=O)C1CCC(NC(=O)[O-])CC1)C(C)(C)C ZINC000738821015 602767474 /nfs/dbraw/zinc/76/74/74/602767474.db2.gz UKVKGNXMKTYETI-NRXISQOPSA-N -1 0 326.481 3.780 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)C2(c3ccc(F)cc3)CC2)c1 ZINC000740703434 602785998 /nfs/dbraw/zinc/78/59/98/602785998.db2.gz DJBNXBTXSQNOHJ-UHFFFAOYSA-N -1 0 332.306 3.725 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)c2c(F)cccc2Cl)c1 ZINC000740705969 602786332 /nfs/dbraw/zinc/78/63/32/602786332.db2.gz UUSZPQWAJXMLMY-UHFFFAOYSA-N -1 0 326.686 3.960 20 0 EHADRM CC(C)(CCC(=O)Nc1ccccc1N1CCCCCC1)NC(=O)[O-] ZINC000738744700 602787515 /nfs/dbraw/zinc/78/75/15/602787515.db2.gz PJTPBVOWLWQRPW-UHFFFAOYSA-N -1 0 347.459 3.832 20 0 EHADRM CC[C@@H](NC(=O)CCC(C)(C)NC(=O)[O-])c1ccc(Cl)cc1 ZINC000739264329 602788136 /nfs/dbraw/zinc/78/81/36/602788136.db2.gz SHAXSTSCWQYNRD-CYBMUJFWSA-N -1 0 326.824 3.734 20 0 EHADRM Cc1ccc(N(C)C(=O)[C@@H](C)[C@@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000830332761 602807317 /nfs/dbraw/zinc/80/73/17/602807317.db2.gz BXHGPFAIUZUADB-WMLDXEAASA-N -1 0 326.396 3.603 20 0 EHADRM Cc1cccc(N(C)C(=O)[C@H](C)[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000830506280 602823995 /nfs/dbraw/zinc/82/39/95/602823995.db2.gz YHAVDMNCDBTCGO-RHSMWYFYSA-N -1 0 326.396 3.603 20 0 EHADRM CC[C@@H](CC(=O)N1CCC[C@@H](CN(C)C(=O)[O-])C1)c1ccc(C)cc1 ZINC000739249705 602825671 /nfs/dbraw/zinc/82/56/71/602825671.db2.gz OJWDGUIRRQTUFX-IRXDYDNUSA-N -1 0 346.471 3.727 20 0 EHADRM C[C@@H](CC(=O)Nc1cc(F)ccc1Oc1ccccc1)NC(=O)[O-] ZINC000824684948 602835212 /nfs/dbraw/zinc/83/52/12/602835212.db2.gz GWEYBUXCFLGTMQ-NSHDSACASA-N -1 0 332.331 3.603 20 0 EHADRM CCCCC[C@H](NC(=O)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1)C(C)(C)C ZINC000739327825 602837198 /nfs/dbraw/zinc/83/71/98/602837198.db2.gz AJUGJHAUVWLNJG-KFWWJZLASA-N -1 0 341.496 3.669 20 0 EHADRM O=C([O-])N1CCN(C(=O)c2coc3ccccc23)c2ccccc2C1 ZINC000740525890 602842930 /nfs/dbraw/zinc/84/29/30/602842930.db2.gz ARRYOQDVDJVBNX-UHFFFAOYSA-N -1 0 336.347 3.573 20 0 EHADRM Cc1ccc(N(C)C(=O)c2ccc(CNC(=O)[O-])cc2)cc1Cl ZINC000740128841 602844306 /nfs/dbraw/zinc/84/43/06/602844306.db2.gz BMDKUZWGQOOWOK-UHFFFAOYSA-N -1 0 332.787 3.693 20 0 EHADRM C[C@@H](C(=O)N(C1CC1)C1CCCC1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823654442 602848312 /nfs/dbraw/zinc/84/83/12/602848312.db2.gz JSWMBTWHMMHAED-DYVFJYSZSA-N -1 0 330.428 3.565 20 0 EHADRM CCC[C@H](NC(=O)c1ccc(C)c(NC(=O)[O-])c1)c1ccccn1 ZINC000826763449 602855100 /nfs/dbraw/zinc/85/51/00/602855100.db2.gz CLSNOJTWARZWEA-HNNXBMFYSA-N -1 0 327.384 3.751 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)Cc2ccc(NC(=O)[O-])cc2)o1 ZINC000740117057 602881805 /nfs/dbraw/zinc/88/18/05/602881805.db2.gz GDXLFWMOKPHSJD-HNNXBMFYSA-N -1 0 328.368 3.584 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1NC(=O)C[C@H](C)NC(=O)[O-] ZINC000830129397 602899139 /nfs/dbraw/zinc/89/91/39/602899139.db2.gz QKQFKEOMLZBPHZ-ZDUSSCGKSA-N -1 0 328.368 3.772 20 0 EHADRM C[C@@H](CC(=O)N(Cc1ccccc1F)c1ccccc1F)NC(=O)[O-] ZINC000824566129 602903841 /nfs/dbraw/zinc/90/38/41/602903841.db2.gz WJQMMWSJGUYTBE-LBPRGKRZSA-N -1 0 348.349 3.544 20 0 EHADRM CN(C(=O)c1cc2ccccc2cc1NC(=O)[O-])c1nccs1 ZINC000739593342 602906290 /nfs/dbraw/zinc/90/62/90/602906290.db2.gz KYWAIYCQGHIXQN-UHFFFAOYSA-N -1 0 327.365 3.663 20 0 EHADRM Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)cc1NC(=O)[O-] ZINC000830206126 602950790 /nfs/dbraw/zinc/95/07/90/602950790.db2.gz XJRYPLLWQZWDLQ-IAQYHMDHSA-N -1 0 346.333 3.649 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])cc1Cl ZINC000738866144 602951905 /nfs/dbraw/zinc/95/19/05/602951905.db2.gz YCBXXMPWQMMOBB-AAEUAGOBSA-N -1 0 340.807 3.502 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)Cc2ccccc2OC(F)F)cc1 ZINC000738669677 602961405 /nfs/dbraw/zinc/96/14/05/602961405.db2.gz NFNAGYNSHKKWLZ-UHFFFAOYSA-N -1 0 337.278 3.526 20 0 EHADRM CCC[C@@H](NC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000739312396 602962147 /nfs/dbraw/zinc/96/21/47/602962147.db2.gz LRZNHRMXZVLPDL-CABCVRRESA-N -1 0 346.452 3.584 20 0 EHADRM Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)C[C@H](C)NC(=O)[O-] ZINC000830615557 602968770 /nfs/dbraw/zinc/96/87/70/602968770.db2.gz BCODUJLUORMCOR-ZFWWWQNUSA-N -1 0 346.452 3.503 20 0 EHADRM Cc1cnc([C@@H](NC(=O)c2ccc(C)c(NC(=O)[O-])c2)C2CC2)s1 ZINC000830626264 602999795 /nfs/dbraw/zinc/99/97/95/602999795.db2.gz ZKIXNIYGCHIHED-AWEZNQCLSA-N -1 0 345.424 3.731 20 0 EHADRM CC(C)[C@@H](C(=O)NC[C@H](NC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000824057441 603010695 /nfs/dbraw/zinc/01/06/95/603010695.db2.gz RJLDLUYONLMURL-ZWKOTPCHSA-N -1 0 340.423 3.551 20 0 EHADRM C[C@H](CSc1ccccc1)c1nc([C@@H](C)CN(C)C(=O)[O-])no1 ZINC000738910511 603011197 /nfs/dbraw/zinc/01/11/97/603011197.db2.gz RZUPPANMNOCVSC-NWDGAFQWSA-N -1 0 335.429 3.679 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)c2cc3cc(F)ccc3o2)c1 ZINC000740680483 603013782 /nfs/dbraw/zinc/01/37/82/603013782.db2.gz PGJAKODTWCGOAP-UHFFFAOYSA-N -1 0 328.299 3.592 20 0 EHADRM C[C@H](CNC(=O)Nc1cc(NC(=O)[O-])ccc1F)c1ccccc1 ZINC000738920530 603032566 /nfs/dbraw/zinc/03/25/66/603032566.db2.gz ODQXGJNBEDSZCB-LLVKDONJSA-N -1 0 331.347 3.841 20 0 EHADRM CCc1c(C(=O)Oc2ccc(N(C)C(=O)[O-])cc2)cnn1C(C)(C)C ZINC000827552228 603040181 /nfs/dbraw/zinc/04/01/81/603040181.db2.gz VDIYAGUMSBCWOT-UHFFFAOYSA-N -1 0 345.399 3.534 20 0 EHADRM C[C@@H](CC(=O)Oc1ccc(N(C)C(=O)[O-])cc1)C(=O)c1ccccc1 ZINC000824742977 603040439 /nfs/dbraw/zinc/04/04/39/603040439.db2.gz FHAFAMBUFWIMGB-ZDUSSCGKSA-N -1 0 341.363 3.615 20 0 EHADRM COc1ccc(NC(=O)Nc2cc(NC(=O)[O-])ccc2F)c(OC)c1 ZINC000739919083 603042940 /nfs/dbraw/zinc/04/29/40/603042940.db2.gz BBRDKZUAUNSULX-UHFFFAOYSA-N -1 0 349.318 3.577 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(Nc2ccccc2)c1 ZINC000740567364 603049090 /nfs/dbraw/zinc/04/90/90/603049090.db2.gz HGEYUBNGZYNFCG-DLBZAZTESA-N -1 0 339.395 3.805 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000827898848 603049498 /nfs/dbraw/zinc/04/94/98/603049498.db2.gz AFTGMZCSMIKOJQ-ZIAGYGMSSA-N -1 0 347.317 3.788 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000827898841 603049875 /nfs/dbraw/zinc/04/98/75/603049875.db2.gz AFTGMZCSMIKOJQ-KGLIPLIRSA-N -1 0 347.317 3.788 20 0 EHADRM CS[C@@H](C(=O)Oc1ccc(N(C)C(=O)[O-])cc1)c1ccccc1 ZINC000829703210 603050935 /nfs/dbraw/zinc/05/09/35/603050935.db2.gz FFMHBCNNSHOHJK-OAHLLOKOSA-N -1 0 331.393 3.811 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)[C@H]2SCCc3ccccc32)cc1 ZINC000827907735 603054367 /nfs/dbraw/zinc/05/43/67/603054367.db2.gz BSKXELULMSIYIY-INIZCTEOSA-N -1 0 343.404 3.737 20 0 EHADRM CCc1ccc([C@@H]2CCCCCN2C(=O)CCCN(C)C(=O)[O-])o1 ZINC000737259776 603059578 /nfs/dbraw/zinc/05/95/78/603059578.db2.gz XNTXCXZJAADZMG-HNNXBMFYSA-N -1 0 336.432 3.676 20 0 EHADRM CCC[C@H](NC(=O)[O-])C(=O)Nc1cccc(Cl)c1OC(C)C ZINC000739321684 603060690 /nfs/dbraw/zinc/06/06/90/603060690.db2.gz KENBLRXBMCBKFW-LBPRGKRZSA-N -1 0 328.796 3.502 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)CC2CCN(C(=O)[O-])CC2)C1 ZINC000825850502 603061098 /nfs/dbraw/zinc/06/10/98/603061098.db2.gz CTBDEHCEYBYGAC-CXAGYDPISA-N -1 0 348.418 3.515 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)CC2CCN(C(=O)[O-])CC2)C1 ZINC000825850506 603061436 /nfs/dbraw/zinc/06/14/36/603061436.db2.gz CTBDEHCEYBYGAC-GUYCJALGSA-N -1 0 348.418 3.515 20 0 EHADRM CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000736250945 603066941 /nfs/dbraw/zinc/06/69/41/603066941.db2.gz NGJJWNGOSKOXPN-DOMZBBRYSA-N -1 0 349.431 3.739 20 0 EHADRM CC(C)Cn1cc(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)cn1 ZINC000824317770 603086230 /nfs/dbraw/zinc/08/62/30/603086230.db2.gz FZJAGGLEKSLAMW-UHFFFAOYSA-N -1 0 336.779 3.535 20 0 EHADRM Cc1ccc(NC(=O)CNc2ccc([C@@H](C)NC(=O)[O-])cc2)c(C)c1 ZINC000740137083 603104560 /nfs/dbraw/zinc/10/45/60/603104560.db2.gz WDFKQTIKRUJQCN-CQSZACIVSA-N -1 0 341.411 3.683 20 0 EHADRM CCN(Cc1cccc(NC(=O)N[C@H](C)Cc2ccco2)c1)C(=O)[O-] ZINC000739443179 603143031 /nfs/dbraw/zinc/14/30/31/603143031.db2.gz PVGXOKCNUOSXMN-CYBMUJFWSA-N -1 0 345.399 3.532 20 0 EHADRM CCN(Cc1cccc(NC(=O)NCc2ccc(F)cc2)c1)C(=O)[O-] ZINC000739448497 603143480 /nfs/dbraw/zinc/14/34/80/603143480.db2.gz WBGIIQVHMOLBPO-UHFFFAOYSA-N -1 0 345.374 3.647 20 0 EHADRM CC(C)c1ccc(NC(=O)COc2ccc(NC(=O)[O-])cc2)cc1 ZINC000737652850 603154217 /nfs/dbraw/zinc/15/42/17/603154217.db2.gz VNZYYOUWYGMTQV-UHFFFAOYSA-N -1 0 328.368 3.917 20 0 EHADRM Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(NC(=O)[O-])cc1 ZINC000830555163 603155747 /nfs/dbraw/zinc/15/57/47/603155747.db2.gz QXAAMQDLNJMGML-ZIAGYGMSSA-N -1 0 342.395 3.730 20 0 EHADRM O=C([O-])N1CCc2c(cccc2NC(=O)c2c(F)cccc2Cl)C1 ZINC000740472131 603181531 /nfs/dbraw/zinc/18/15/31/603181531.db2.gz FWMQAVNUKANNOE-UHFFFAOYSA-N -1 0 348.761 3.768 20 0 EHADRM CC[C@H](Nc1ccccc1)C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000826619556 603187163 /nfs/dbraw/zinc/18/71/63/603187163.db2.gz KGUWPKOTPSZECR-GUYCJALGSA-N -1 0 341.411 3.844 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)C2(c3cccc(F)c3)CC2)cc1 ZINC000825416586 603188345 /nfs/dbraw/zinc/18/83/45/603188345.db2.gz LSQWOGADQWPMKA-LBPRGKRZSA-N -1 0 342.370 3.825 20 0 EHADRM Cc1cc(-c2cccc(F)c2)nnc1NC1CCC(NC(=O)[O-])CC1 ZINC000829888304 603191549 /nfs/dbraw/zinc/19/15/49/603191549.db2.gz AAXJPPLTNZSAEO-UHFFFAOYSA-N -1 0 344.390 3.582 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2F)C1 ZINC000740576702 603194300 /nfs/dbraw/zinc/19/43/00/603194300.db2.gz VDYZKZWMVKJTMO-WCBMZHEXSA-N -1 0 348.296 3.609 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2cnc3ccsc3c2)cc1 ZINC000825448651 603196173 /nfs/dbraw/zinc/19/61/73/603196173.db2.gz GPRRFEMLRDALAW-SNVBAGLBSA-N -1 0 341.392 3.877 20 0 EHADRM Cc1nc(Nc2ccc([C@H](C)NC(=O)[O-])cc2)cc(-c2cccnc2)n1 ZINC000830774440 603207504 /nfs/dbraw/zinc/20/75/04/603207504.db2.gz HNHUGFSEKLEONX-LBPRGKRZSA-N -1 0 349.394 3.919 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N(Cc2ccccn2)C2CC2)c(Cl)c1 ZINC000740700446 603210319 /nfs/dbraw/zinc/21/03/19/603210319.db2.gz VNPSSJDPPWZWGR-UHFFFAOYSA-N -1 0 345.786 3.630 20 0 EHADRM Cc1cccc(NC(=O)[C@@H](C)[C@H](NC(=O)[O-])c2ccccc2)c1C ZINC000830512201 603212528 /nfs/dbraw/zinc/21/25/28/603212528.db2.gz VJGMYKKFFGXQCY-YOEHRIQHSA-N -1 0 326.396 3.887 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739088395 603224848 /nfs/dbraw/zinc/22/48/48/603224848.db2.gz ZXTXDJSLZFMMOV-PEZLKRJXSA-N -1 0 344.455 3.606 20 0 EHADRM Cc1cc(F)ccc1NC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000830068884 603225812 /nfs/dbraw/zinc/22/58/12/603225812.db2.gz QEHQOWPSAGHHBT-BLLLJJGKSA-N -1 0 330.359 3.718 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C2CCC(NC(=O)[O-])CC2)o1 ZINC000830284181 603230990 /nfs/dbraw/zinc/23/09/90/603230990.db2.gz ZQHQPLCCZFWLCU-KKOFPSKJSA-N -1 0 348.443 3.714 20 0 EHADRM CC(C)c1nc2cc(NC(=O)[C@@H]3CCC[C@H](NC(=O)[O-])C3)ccc2o1 ZINC000738879612 603238022 /nfs/dbraw/zinc/23/80/22/603238022.db2.gz HSOQUAQMBUHVNQ-NEPJUHHUSA-N -1 0 345.399 3.716 20 0 EHADRM Cc1cc(SC(C)(C)C)ccc1NC(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000740094043 603238304 /nfs/dbraw/zinc/23/83/04/603238304.db2.gz NUHPVYZQFKDLMW-GFCCVEGCSA-N -1 0 336.457 3.824 20 0 EHADRM CC(C)(C)n1cc(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)cn1 ZINC000738729431 603244903 /nfs/dbraw/zinc/24/49/03/603244903.db2.gz IJHSDLRPNKDAQI-UHFFFAOYSA-N -1 0 336.779 3.634 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000823859413 603251161 /nfs/dbraw/zinc/25/11/61/603251161.db2.gz OLSBPLSECXCTNQ-TZMCWYRMSA-N -1 0 333.432 3.542 20 0 EHADRM CC(C)[C@@H](NC(=O)c1ccc(NC(=O)[O-])cc1Cl)c1ccccn1 ZINC000738798668 603252778 /nfs/dbraw/zinc/25/27/78/603252778.db2.gz VXFXYHBCCKSMDI-OAHLLOKOSA-N -1 0 347.802 3.952 20 0 EHADRM Cc1nc(NC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)sc1C ZINC000830770809 603260476 /nfs/dbraw/zinc/26/04/76/603260476.db2.gz UPTBPYUDDIALCV-VIFPVBQESA-N -1 0 334.401 3.733 20 0 EHADRM O=C([O-])N1CCCN(C(=O)Cc2ccccc2Cl)c2ccccc21 ZINC000740516121 603297627 /nfs/dbraw/zinc/29/76/27/603297627.db2.gz LLJMMUAXTYBREI-UHFFFAOYSA-N -1 0 344.798 3.804 20 0 EHADRM C[C@@H]1CCC[C@H](C)N(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])C1 ZINC000825888012 603301269 /nfs/dbraw/zinc/30/12/69/603301269.db2.gz NIHUBMXKRUPQPF-OLZOCXBDSA-N -1 0 331.416 3.770 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](C)c2c(F)cccc2F)cc1NC(=O)[O-] ZINC000830203896 603301396 /nfs/dbraw/zinc/30/13/96/603301396.db2.gz BMFJYNUQWXLRAE-JTQLQIEISA-N -1 0 334.322 3.854 20 0 EHADRM CC[C@@]1(C)CCCN(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])C1 ZINC000826643688 603301406 /nfs/dbraw/zinc/30/14/06/603301406.db2.gz ARZQFECMXVSEPI-SFHVURJKSA-N -1 0 331.416 3.771 20 0 EHADRM CCC[C@H](CC1CCCCC1)C(=O)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739306655 603320029 /nfs/dbraw/zinc/32/00/29/603320029.db2.gz RHLLZXDGFQDIQS-OIISXLGYSA-N -1 0 338.492 3.878 20 0 EHADRM C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739060698 603321431 /nfs/dbraw/zinc/32/14/31/603321431.db2.gz ZIDSLSRTZYHPCW-LBPRGKRZSA-N -1 0 345.374 3.818 20 0 EHADRM CC(C)C1CCN(C(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)CC1 ZINC000824157697 603321497 /nfs/dbraw/zinc/32/14/97/603321497.db2.gz MRTMMLKLVCKNRU-UHFFFAOYSA-N -1 0 345.443 3.623 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)N2CCC3(C2)CCCCC3)c1 ZINC000832724912 603321560 /nfs/dbraw/zinc/32/15/60/603321560.db2.gz SAIUGMODYPQFQJ-UHFFFAOYSA-N -1 0 331.416 3.642 20 0 EHADRM Cc1cccc(F)c1CNC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000830504827 603326367 /nfs/dbraw/zinc/32/63/67/603326367.db2.gz BCPHUKDSWZQLBB-UHFFFAOYSA-N -1 0 335.310 3.685 20 0 EHADRM Cc1ccc(C(=O)NCc2ccc3ccccc3n2)cc1NC(=O)[O-] ZINC000830220361 603330322 /nfs/dbraw/zinc/33/03/22/603330322.db2.gz UGJQPRYJQGQHIK-UHFFFAOYSA-N -1 0 335.363 3.563 20 0 EHADRM C[C@H]1CCC[C@H](N(C)C(=O)Nc2ccccc2CN(C)C(=O)[O-])C1 ZINC000739096377 603333587 /nfs/dbraw/zinc/33/35/87/603333587.db2.gz YXWNIFVZMSGMPY-ZFWWWQNUSA-N -1 0 333.432 3.839 20 0 EHADRM CC(C)CN(CC(C)C)C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000738819655 603336995 /nfs/dbraw/zinc/33/69/95/603336995.db2.gz HWNCFSGIZVAHFA-UHFFFAOYSA-N -1 0 335.448 3.942 20 0 EHADRM CC(C)C1CCN(C(=O)Nc2cccc(CN(C)C(=O)[O-])c2)CC1 ZINC000824159184 603338599 /nfs/dbraw/zinc/33/85/99/603338599.db2.gz YVIGBBQIIFUHEC-UHFFFAOYSA-N -1 0 333.432 3.696 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N[C@@H]1CCC[C@H](C)C1)C(=O)[O-] ZINC000739448367 603350504 /nfs/dbraw/zinc/35/05/04/603350504.db2.gz SKQXCIDGPGSTAE-DZGCQCFKSA-N -1 0 333.432 3.887 20 0 EHADRM COC(=O)Nc1cccc(NC(=O)c2ccc(C)c(NC(=O)[O-])c2)c1 ZINC000828723718 603361884 /nfs/dbraw/zinc/36/18/84/603361884.db2.gz XULXKOGTHBMUMN-UHFFFAOYSA-N -1 0 343.339 3.516 20 0 EHADRM C[C@H](CCc1ccco1)NC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000824816629 603363242 /nfs/dbraw/zinc/36/32/42/603363242.db2.gz LBHCKCFOWVXQGM-CHWSQXEVSA-N -1 0 345.399 3.751 20 0 EHADRM CCc1cccc(CC)c1NC(=S)N[C@@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000739540427 603375476 /nfs/dbraw/zinc/37/54/76/603375476.db2.gz GJMIBCIXXHSSMU-HUUCEWRRSA-N -1 0 349.500 3.534 20 0 EHADRM Cc1ccc(C(=O)NCc2ccccc2OC(C)C)cc1NC(=O)[O-] ZINC000830219507 603378767 /nfs/dbraw/zinc/37/87/67/603378767.db2.gz FWBGJRDRSIMFFY-UHFFFAOYSA-N -1 0 342.395 3.802 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N2CCC[C@@H]2C2CCC2)cc1 ZINC000825427410 603384053 /nfs/dbraw/zinc/38/40/53/603384053.db2.gz VDLYAFVNILPEPV-MLGOLLRUSA-N -1 0 331.416 3.812 20 0 EHADRM C[C@@H](c1nc(Cc2cccs2)no1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000825645310 603408233 /nfs/dbraw/zinc/40/82/33/603408233.db2.gz NVKINCHFUQRNSD-ABAIWWIYSA-N -1 0 343.408 3.834 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@H](c2nc(-c3c(Cl)cccc3Cl)no2)C1 ZINC000832317785 603410008 /nfs/dbraw/zinc/41/00/08/603410008.db2.gz CSMKSHKOMDLKTH-JGVFFNPUSA-N -1 0 342.182 3.947 20 0 EHADRM O=C([O-])N1CCC[C@@H]1Cc1nc(-c2c(Cl)cccc2Cl)no1 ZINC000832005430 603410100 /nfs/dbraw/zinc/41/01/00/603410100.db2.gz LQHABOXIDLBQFO-MRVPVSSYSA-N -1 0 342.182 3.728 20 0 EHADRM O=C([O-])NC1(c2noc(-c3cc4cccc(F)c4o3)n2)CCCC1 ZINC000832224147 603416344 /nfs/dbraw/zinc/41/63/44/603416344.db2.gz YSHHMLQGDGSWCF-UHFFFAOYSA-N -1 0 331.303 3.659 20 0 EHADRM CC(C)[C@H](CC1CCCCC1)C(=O)N1CCC[C@@H](CNC(=O)[O-])C1 ZINC000738772305 603426115 /nfs/dbraw/zinc/42/61/15/603426115.db2.gz FKLKSEITTMLHST-IRXDYDNUSA-N -1 0 338.492 3.735 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2cccc3ccncc32)ccc1F ZINC000832820980 603444721 /nfs/dbraw/zinc/44/47/21/603444721.db2.gz RBPCCNBLSXWSQO-UHFFFAOYSA-N -1 0 325.299 3.716 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)Nc2cc(-c3ccccc3)ns2)C1 ZINC000832323481 603539773 /nfs/dbraw/zinc/53/97/73/603539773.db2.gz DLDXGSVIIBCOQQ-CHWSQXEVSA-N -1 0 345.424 3.575 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2cc(Cl)c(Cl)cn2)cc1 ZINC000832837879 603547465 /nfs/dbraw/zinc/54/74/65/603547465.db2.gz ADWMPDXIKLJXTF-UHFFFAOYSA-N -1 0 326.139 3.731 20 0 EHADRM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)CCCCCCNC(=O)[O-] ZINC000825778337 603558896 /nfs/dbraw/zinc/55/88/96/603558896.db2.gz LRVICEXXPBAYMM-WBVHZDCISA-N -1 0 332.444 3.609 20 0 EHADRM CC(C)N(Cc1ccco1)C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736470812 603569465 /nfs/dbraw/zinc/56/94/65/603569465.db2.gz AEIDTRPXIWTVEC-UHFFFAOYSA-N -1 0 345.399 3.532 20 0 EHADRM CN(C(=O)Nc1ccccc1-c1cccs1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827816421 603584536 /nfs/dbraw/zinc/58/45/36/603584536.db2.gz UNVHBZRRUCDHTN-GFCCVEGCSA-N -1 0 345.424 3.631 20 0 EHADRM COc1cc(NC(=O)c2cc(F)cc(Cl)c2)ccc1NC(=O)[O-] ZINC000829198059 603634368 /nfs/dbraw/zinc/63/43/68/603634368.db2.gz MJFWNSDKHOEDAN-UHFFFAOYSA-N -1 0 338.722 3.830 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)N(C)[C@H]2CCN(C(=O)[O-])C2)cc1 ZINC000830148791 603695296 /nfs/dbraw/zinc/69/52/96/603695296.db2.gz JTRHDSZRWDQFHA-AWEZNQCLSA-N -1 0 344.436 3.548 20 0 EHADRM CCC(CC)(CNC(=O)c1cc(Cl)sc1Cl)NC(=O)[O-] ZINC000826552662 603731076 /nfs/dbraw/zinc/73/10/76/603731076.db2.gz SOHNYQUXHHFHLR-UHFFFAOYSA-N -1 0 339.244 3.611 20 0 EHADRM CCN(CC1CCN(C(=O)c2cccc3ccccc32)CC1)C(=O)[O-] ZINC000827083511 603739242 /nfs/dbraw/zinc/73/92/42/603739242.db2.gz ANOAMGRZVCNEEZ-UHFFFAOYSA-N -1 0 340.423 3.692 20 0 EHADRM Cc1ccc(C(=O)N(CC2CCC2)CC(F)(F)F)cc1NC(=O)[O-] ZINC000830182130 603757032 /nfs/dbraw/zinc/75/70/32/603757032.db2.gz RIJKSMNQFHUGBF-UHFFFAOYSA-N -1 0 344.333 3.890 20 0 EHADRM CC(C)(c1nc(C2(NC(=O)[O-])CCC2)no1)c1ccc(Cl)cc1 ZINC000824038613 603769364 /nfs/dbraw/zinc/76/93/64/603769364.db2.gz HFXALTUQBDRANT-UHFFFAOYSA-N -1 0 335.791 3.696 20 0 EHADRM Cc1nnc([C@@H](C)OC(=O)c2cc3ccccc3cc2NC(=O)[O-])o1 ZINC000830881598 603795351 /nfs/dbraw/zinc/79/53/51/603795351.db2.gz XAQLQZLMBBVYDK-SECBINFHSA-N -1 0 341.323 3.539 20 0 EHADRM Cc1cc(F)c(C(=O)Nc2cccc3c2CCN3C(=O)[O-])cc1F ZINC000830054822 603866757 /nfs/dbraw/zinc/86/67/57/603866757.db2.gz JECNLLNHZMMQBU-UHFFFAOYSA-N -1 0 332.306 3.566 20 0 EHADRM O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)N1CCCC3(CCCCC3)C1)C2 ZINC000831298703 603892917 /nfs/dbraw/zinc/89/29/17/603892917.db2.gz IDINXAPRZXLZPN-ALOPSCKCSA-N -1 0 348.487 3.870 20 0 EHADRM CN(CCCC(=O)Nc1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000828284920 603893919 /nfs/dbraw/zinc/89/39/19/603893919.db2.gz IELNGRUIIFFVKZ-UHFFFAOYSA-N -1 0 332.322 3.510 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000832296869 603944067 /nfs/dbraw/zinc/94/40/67/603944067.db2.gz LZYBONSLWYCKTC-DLBZAZTESA-N -1 0 338.407 3.652 20 0 EHADRM C[C@H](C(=O)N1Cc2ccccc2[C@H]1C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823677950 603951724 /nfs/dbraw/zinc/95/17/24/603951724.db2.gz PQDQUCSUJMWLPX-IYOUNJFTSA-N -1 0 338.407 3.735 20 0 EHADRM C[C@H](c1ccccc1)N(C)C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000825638240 603980844 /nfs/dbraw/zinc/98/08/44/603980844.db2.gz LJCVQHUPFXEXHN-CYBMUJFWSA-N -1 0 339.395 3.952 20 0 EHADRM C[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000825895548 603986885 /nfs/dbraw/zinc/98/68/85/603986885.db2.gz MAZMBOVGIUDIQA-WFASDCNBSA-N -1 0 331.416 3.770 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)[C@H]2C[C@]23CCc2ccccc23)cc1 ZINC000827900068 603991168 /nfs/dbraw/zinc/99/11/68/603991168.db2.gz OIDCEEZVTFUETC-XLIONFOSSA-N -1 0 337.375 3.610 20 0 EHADRM CCC[C@H]1CCCN(C(=O)Nc2ccccc2CN(C)C(=O)[O-])C1 ZINC000826774471 603992910 /nfs/dbraw/zinc/99/29/10/603992910.db2.gz HBANTMZQMDGXSN-AWEZNQCLSA-N -1 0 333.432 3.840 20 0 EHADRM Cc1cc(C)c(NC(=O)N(C)C2CCN(C(=O)[O-])CC2)c(Cl)c1 ZINC000829990686 604010118 /nfs/dbraw/zinc/01/01/18/604010118.db2.gz FNXOKAPIUZCBAH-UHFFFAOYSA-N -1 0 339.823 3.563 20 0 EHADRM Cc1ccc(-c2n[nH]cc2CNc2cccc3c2CCN3C(=O)[O-])o1 ZINC000830155659 604021617 /nfs/dbraw/zinc/02/16/17/604021617.db2.gz QPTSSJPXSITVES-UHFFFAOYSA-N -1 0 338.367 3.631 20 0 EHADRM CCS[C@H]1CCCC[C@H]1NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000827503908 604042027 /nfs/dbraw/zinc/04/20/27/604042027.db2.gz NUSNMCIVNJYWRV-OCCSQVGLSA-N -1 0 340.420 3.710 20 0 EHADRM Cc1c(C(=O)Nc2ccccc2CN(C)C(=O)[O-])cnc2ccccc12 ZINC000829854422 604052351 /nfs/dbraw/zinc/05/23/51/604052351.db2.gz IALSQMXLWZQYID-UHFFFAOYSA-N -1 0 349.390 3.905 20 0 EHADRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)Nc2ccc(C(C)(C)C)cc2)C1 ZINC000825235719 604060926 /nfs/dbraw/zinc/06/09/26/604060926.db2.gz HDSNFLBWXVDSFW-UONOGXRCSA-N -1 0 347.459 3.884 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)N1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000830329188 604066197 /nfs/dbraw/zinc/06/61/97/604066197.db2.gz OPMHMINAQAFMCZ-RYUDHWBXSA-N -1 0 339.823 3.548 20 0 EHADRM CC[C@@]1(C)CCN(C(=O)c2cc(Cl)c(NC(=O)[O-])cc2OC)C1 ZINC000826645750 604109023 /nfs/dbraw/zinc/10/90/23/604109023.db2.gz SWZRVBFWGJMEFG-INIZCTEOSA-N -1 0 340.807 3.701 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000825426670 604136677 /nfs/dbraw/zinc/13/66/77/604136677.db2.gz IEIAPWLNHUYQRK-BJJXKVORSA-N -1 0 331.416 3.812 20 0 EHADRM Cc1cnc([C@H](C)NC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)s1 ZINC000830625930 604148765 /nfs/dbraw/zinc/14/87/65/604148765.db2.gz WKLBXLUYBNWXMD-QWRGUYRKSA-N -1 0 348.428 3.663 20 0 EHADRM C[C@@H](C(=O)OC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1cccc(Cl)c1 ZINC000823731548 604239358 /nfs/dbraw/zinc/23/93/58/604239358.db2.gz OFKCMPMBFZNAQT-FMVWZJFZSA-N -1 0 337.803 3.660 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)OC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000824819004 604239495 /nfs/dbraw/zinc/23/94/95/604239495.db2.gz XOMPQRRHYAABMI-NTQSIJHJSA-N -1 0 349.402 3.611 20 0 EHADRM C[C@H](OC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1)c1cccs1 ZINC000825536191 604246783 /nfs/dbraw/zinc/24/67/83/604246783.db2.gz QIFOXQWCLKRTMQ-SLEUVZQESA-N -1 0 333.409 3.997 20 0 EHADRM Cc1cccc([C@@H](C)C(=O)NCCc2ccc(NC(=O)[O-])cc2)c1 ZINC000738692589 604248607 /nfs/dbraw/zinc/24/86/07/604248607.db2.gz KMEVXXCPZFSQKL-CQSZACIVSA-N -1 0 326.396 3.547 20 0 EHADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)c2cccc(Cl)c2Cl)C1 ZINC000825243193 604259481 /nfs/dbraw/zinc/25/94/81/604259481.db2.gz CXUGLURVFHQMJY-NXEZZACHSA-N -1 0 345.226 3.502 20 0 EHADRM O=C([O-])C1CCC(NC(=O)N2CCC[C@@H]2CCC2CCCC2)CC1 ZINC000833182137 604276600 /nfs/dbraw/zinc/27/66/00/604276600.db2.gz ZPMAVAVIORECOX-OFLPRAFFSA-N -1 0 336.476 3.774 20 0 EHADRM Cc1ccccc1NC(=S)NCc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000830586738 604285305 /nfs/dbraw/zinc/28/53/05/604285305.db2.gz PBJVGMOHIBPZIT-ZDUSSCGKSA-N -1 0 343.452 3.810 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCc3cc(Cl)ccc32)cc1F ZINC000833309486 604285545 /nfs/dbraw/zinc/28/55/45/604285545.db2.gz ICNLVPPTDZZWJP-UHFFFAOYSA-N -1 0 333.746 3.770 20 0 EHADRM CC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828901079 604289716 /nfs/dbraw/zinc/28/97/16/604289716.db2.gz ONBDHJQFLBDWDJ-OAHLLOKOSA-N -1 0 329.371 3.617 20 0 EHADRM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC000828184642 604292838 /nfs/dbraw/zinc/29/28/38/604292838.db2.gz RNRXPGRTVDOBBZ-APPDUMDISA-N -1 0 345.345 3.886 20 0 EHADRM CCc1cc(C)c(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)o1 ZINC000237127869 604297210 /nfs/dbraw/zinc/29/72/10/604297210.db2.gz HYRDYFHTHLHCKQ-UHFFFAOYSA-N -1 0 331.368 3.888 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCC(C)(C)c1cccc(Cl)c1 ZINC000832846727 604298595 /nfs/dbraw/zinc/29/85/95/604298595.db2.gz NXWNDPYBBMVZBD-UHFFFAOYSA-N -1 0 348.830 3.691 20 0 EHADRM CCCn1ccc2cc(NC(=O)c3c(C)[nH]c(C(=O)[O-])c3C)ccc21 ZINC000829585353 604299044 /nfs/dbraw/zinc/29/90/44/604299044.db2.gz QOORAWYVHQNGHE-UHFFFAOYSA-N -1 0 339.395 3.947 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)CCCOc1ccc(C)cc1Cl ZINC000828623357 604302187 /nfs/dbraw/zinc/30/21/87/604302187.db2.gz NSMLRFHMFUOQHS-QGZVFWFLSA-N -1 0 341.835 3.567 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NC1CC(c2cccc(Cl)c2)C1 ZINC000738163171 604325619 /nfs/dbraw/zinc/32/56/19/604325619.db2.gz LETMPKHYFWUFLK-UHFFFAOYSA-N -1 0 346.814 3.659 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)c3cccc(Cl)c3F)ccc21 ZINC000831772813 604328433 /nfs/dbraw/zinc/32/84/33/604328433.db2.gz PWQLUKBRMDMNNO-UHFFFAOYSA-N -1 0 334.734 3.772 20 0 EHADRM C[C@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000825024740 604336187 /nfs/dbraw/zinc/33/61/87/604336187.db2.gz WNFDYMXBSOEVCH-GFCCVEGCSA-N -1 0 343.383 3.577 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N2CCC(C(F)F)CC2)cc1 ZINC000825427128 604345639 /nfs/dbraw/zinc/34/56/39/604345639.db2.gz PHZUMDDULLBYFT-JTQLQIEISA-N -1 0 341.358 3.524 20 0 EHADRM COc1ccc(C(C)(C)C(=O)Nc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000832216739 604376671 /nfs/dbraw/zinc/37/66/71/604376671.db2.gz LTPOVFFEUGYUOO-UHFFFAOYSA-N -1 0 347.798 3.963 20 0 EHADRM Cc1cc([C@@H](C)N(C)Cc2nc3c(s2)CCCC3)oc1C(=O)[O-] ZINC000832870881 604386868 /nfs/dbraw/zinc/38/68/68/604386868.db2.gz NOHMACPEYZNZNT-LLVKDONJSA-N -1 0 334.441 3.815 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)Cc1ccccc1Cl)c1ccccc1 ZINC000826090644 604388166 /nfs/dbraw/zinc/38/81/66/604388166.db2.gz VMMKBJKXQNPVTK-KRWDZBQOSA-N -1 0 345.826 3.851 20 0 EHADRM Cc1cc2nc(NC(=O)c3ccc(C(=O)[O-])c(F)c3)oc2c(C)c1 ZINC000832874621 604390758 /nfs/dbraw/zinc/39/07/58/604390758.db2.gz LDPOWLSXLBBYOV-UHFFFAOYSA-N -1 0 328.299 3.534 20 0 EHADRM CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1sc2ccccc2c1Cl ZINC000827021923 604406217 /nfs/dbraw/zinc/40/62/17/604406217.db2.gz MXDWNAGXCXIJJQ-LBPRGKRZSA-N -1 0 341.860 3.865 20 0 EHADRM Cc1nc(-c2ccccc2)ncc1C(=O)OCc1cccc(C(=O)[O-])c1 ZINC000832992648 604410794 /nfs/dbraw/zinc/41/07/94/604410794.db2.gz RAGKQSJFDGBQBZ-UHFFFAOYSA-N -1 0 348.358 3.507 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000826632482 604427193 /nfs/dbraw/zinc/42/71/93/604427193.db2.gz RZYBMYHCTSVBOM-OAHLLOKOSA-N -1 0 338.379 3.982 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cccc(COC)c1 ZINC000829027598 604428266 /nfs/dbraw/zinc/42/82/66/604428266.db2.gz PHPXWCCTRNCOCT-GOSISDBHSA-N -1 0 341.407 3.511 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)C=Cc2ccnc(Cl)c2)ccc1F ZINC000833284236 604432364 /nfs/dbraw/zinc/43/23/64/604432364.db2.gz RRKMULAUGRVCBA-DAFODLJHSA-N -1 0 335.722 3.616 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cccc(OCC(F)(F)F)c2)c1 ZINC000833330184 604434845 /nfs/dbraw/zinc/43/48/45/604434845.db2.gz OOBFDNCMSFTIGR-UHFFFAOYSA-N -1 0 339.269 3.578 20 0 EHADRM Cc1ccccc1-c1nc(COc2ccc(NC(=O)[O-])cc2)no1 ZINC000830550766 604440440 /nfs/dbraw/zinc/44/04/40/604440440.db2.gz UHIZJPYOQKJFAE-UHFFFAOYSA-N -1 0 325.324 3.714 20 0 EHADRM C[C@@H](Nc1ccc(NC(=O)C2(NC(=O)[O-])CC2)cc1)c1ccccc1 ZINC000825507293 604447728 /nfs/dbraw/zinc/44/77/28/604447728.db2.gz BPEQDZYRNWMQHB-CYBMUJFWSA-N -1 0 339.395 3.598 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)c2ccc(C(F)F)cc2)cc1 ZINC000825397444 604451660 /nfs/dbraw/zinc/45/16/60/604451660.db2.gz LXDBRDXXDQHQDN-LLVKDONJSA-N -1 0 348.349 3.883 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)c2ccccc2Cl)cc1 ZINC000825397242 604451779 /nfs/dbraw/zinc/45/17/79/604451779.db2.gz IHFCJZICTPHFRL-LLVKDONJSA-N -1 0 332.787 3.599 20 0 EHADRM COc1cc(OC)cc([C@H](C(=O)[O-])N2CCC[C@H]2c2cccs2)c1 ZINC000652377058 604454243 /nfs/dbraw/zinc/45/42/43/604454243.db2.gz VDPOXYYRMTXWEL-DOTOQJQBSA-N -1 0 347.436 3.728 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)C(C)(C)c2cccs2)cc1 ZINC000825373049 604457654 /nfs/dbraw/zinc/45/76/54/604457654.db2.gz VEPNDJRHSGSCME-LBPRGKRZSA-N -1 0 346.452 3.671 20 0 EHADRM Cc1ccc([C@@H](CNc2cc(Cl)nc(C3CC3)n2)C(=O)[O-])cc1 ZINC000833749325 604461468 /nfs/dbraw/zinc/46/14/68/604461468.db2.gz QNDQKBVBEHBOIW-CYBMUJFWSA-N -1 0 331.803 3.596 20 0 EHADRM CC(C)(C)O[C@H](C(=O)OCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000833445590 604470873 /nfs/dbraw/zinc/47/08/73/604470873.db2.gz CYPKLLJHQMBBFA-KRWDZBQOSA-N -1 0 342.391 3.984 20 0 EHADRM O=C([O-])c1csc(NC(=O)NCc2cc3c(s2)CCCC3)c1 ZINC000833144030 604489104 /nfs/dbraw/zinc/48/91/04/604489104.db2.gz BLQFUHNHLZKSDW-UHFFFAOYSA-N -1 0 336.438 3.708 20 0 EHADRM CC(C)c1ccccc1OCCNC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000827139822 604501767 /nfs/dbraw/zinc/50/17/67/604501767.db2.gz QYQSXVSMYQZOFF-UHFFFAOYSA-N -1 0 348.424 3.770 20 0 EHADRM CC(C)[C@@H](OC(=O)c1cc(-c2ccccn2)ccc1Cl)C(=O)[O-] ZINC000833472166 604516479 /nfs/dbraw/zinc/51/64/79/604516479.db2.gz KNCGLZVLKGGHHP-OAHLLOKOSA-N -1 0 333.771 3.668 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@H]1CC(=O)[O-])c1cccc(Cl)c1Cl ZINC000827652441 604519573 /nfs/dbraw/zinc/51/95/73/604519573.db2.gz FYQHAMDPKNCUBE-UWVGGRQHSA-N -1 0 345.226 3.703 20 0 EHADRM C[C@@H](C1CC1)N(C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])C1CC1 ZINC000827214078 604522556 /nfs/dbraw/zinc/52/25/56/604522556.db2.gz YANIUHGORIDZFJ-SUMWQHHRSA-N -1 0 344.455 3.811 20 0 EHADRM CCCCn1ncc(C(=O)Nc2sc(C)c(C)c2C(=O)[O-])c1C ZINC000829446763 604533876 /nfs/dbraw/zinc/53/38/76/604533876.db2.gz FNORRYKCZJVSDA-UHFFFAOYSA-N -1 0 335.429 3.620 20 0 EHADRM C[C@@H](N(C)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])C1(C)CC1 ZINC000827603506 604533933 /nfs/dbraw/zinc/53/39/33/604533933.db2.gz SFXYDIMLNZCYTF-HIFRSBDPSA-N -1 0 332.444 3.669 20 0 EHADRM CCC(CC)n1ccc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)n1 ZINC000828870861 604551845 /nfs/dbraw/zinc/55/18/45/604551845.db2.gz YFLKYJYSSFFCJK-UHFFFAOYSA-N -1 0 329.400 3.514 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000181867632 604556360 /nfs/dbraw/zinc/55/63/60/604556360.db2.gz INKQDDKXWUAYRQ-UHFFFAOYSA-N -1 0 335.791 3.848 20 0 EHADRM C/C(=C/c1ccccc1Cl)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000761951769 604563555 /nfs/dbraw/zinc/56/35/55/604563555.db2.gz YMAGAJNYQHWHIW-SEYXRHQNSA-N -1 0 335.831 3.847 20 0 EHADRM CC[C@@H](C(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1)c1c(C)noc1C ZINC000828604267 604576126 /nfs/dbraw/zinc/57/61/26/604576126.db2.gz YXZBVVJRIIKXPX-CMPLNLGQSA-N -1 0 335.356 3.689 20 0 EHADRM C[C@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)[C@H]1C ZINC000833614183 604581799 /nfs/dbraw/zinc/58/17/99/604581799.db2.gz KULLYOUTSBSGIJ-KBPBESRZSA-N -1 0 345.443 3.637 20 0 EHADRM COc1ccc2[nH]cc(C(=O)O[C@H](C)c3cc(C)c(C(=O)[O-])o3)c2c1 ZINC000832482129 604583541 /nfs/dbraw/zinc/58/35/41/604583541.db2.gz ZVGUZXBIYLLSOJ-SNVBAGLBSA-N -1 0 343.335 3.694 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)Nc2cccc(CSCC(=O)[O-])c2)C1 ZINC000833558298 604587864 /nfs/dbraw/zinc/58/78/64/604587864.db2.gz GVTDJZDAUKKDCK-CQSZACIVSA-N -1 0 336.457 3.705 20 0 EHADRM Cc1cc([C@H](C)OC(=O)[C@H](C)COc2ccccc2)oc1C(=O)[O-] ZINC000832874241 604600031 /nfs/dbraw/zinc/60/00/31/604600031.db2.gz JSGSRXBZPAVUFY-OLZOCXBDSA-N -1 0 332.352 3.606 20 0 EHADRM CC(C)CN(C(=O)NCc1ccc([C@H](C)NC(=O)[O-])cc1)C(C)C ZINC000824251985 604612524 /nfs/dbraw/zinc/61/25/24/604612524.db2.gz RZLZFOLHWNECNS-AWEZNQCLSA-N -1 0 335.448 3.591 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)O[C@@H](C)Cc1ccc(Cl)s1 ZINC000833484715 604614749 /nfs/dbraw/zinc/61/47/49/604614749.db2.gz REOGVACBHCBBJL-GXSJLCMTSA-N -1 0 333.837 3.558 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)N3CCC[C@H]3CC(=O)[O-])cc2)cs1 ZINC000832991685 604615894 /nfs/dbraw/zinc/61/58/94/604615894.db2.gz XTTINQJOPDVVHH-AWEZNQCLSA-N -1 0 345.424 3.590 20 0 EHADRM CS[C@@H]1CCCCN(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000832748266 604628808 /nfs/dbraw/zinc/62/88/08/604628808.db2.gz ZKBMYRHKCYOOPM-LLVKDONJSA-N -1 0 341.408 3.665 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000828874735 604631258 /nfs/dbraw/zinc/63/12/58/604631258.db2.gz OIXKMAWGWQFTMQ-UHFFFAOYSA-N -1 0 335.791 3.848 20 0 EHADRM COC(=O)c1cc(NCc2cc3ccccc3o2)ccc1C(=O)[O-] ZINC000831323021 604642947 /nfs/dbraw/zinc/64/29/47/604642947.db2.gz PKAJXNBKRZCGRP-UHFFFAOYSA-N -1 0 325.320 3.530 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N[C@H]1CCSc2ccccc21 ZINC000262133451 604665650 /nfs/dbraw/zinc/66/56/50/604665650.db2.gz LABBGEVEEWYDGA-INIZCTEOSA-N -1 0 341.432 3.671 20 0 EHADRM Cc1cc([C@@H](C)Sc2nnc(-c3ccco3)n2C)oc1C(=O)[O-] ZINC000832874444 604675168 /nfs/dbraw/zinc/67/51/68/604675168.db2.gz PAVVGTPWJOEIQA-SECBINFHSA-N -1 0 333.369 3.528 20 0 EHADRM CCc1cc(C)c(C(=O)Nc2cccc(CSCC(=O)[O-])c2)o1 ZINC000237128580 604687460 /nfs/dbraw/zinc/68/74/60/604687460.db2.gz HARXAQIOIDHCPY-UHFFFAOYSA-N -1 0 333.409 3.721 20 0 EHADRM CCc1cc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)oc1CC ZINC000263236476 604687772 /nfs/dbraw/zinc/68/77/72/604687772.db2.gz DAHQKRGXTOBHOX-UHFFFAOYSA-N -1 0 347.436 3.975 20 0 EHADRM C/C(=C\c1cccc(Cl)c1)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000761678764 604695898 /nfs/dbraw/zinc/69/58/98/604695898.db2.gz IZEVWGHIVVXZLJ-XYOKQWHBSA-N -1 0 345.782 3.845 20 0 EHADRM C[C@H](C(=O)N(C)C1(C(=O)[O-])CCCC1)c1ccccc1C(F)(F)F ZINC000825971707 604706965 /nfs/dbraw/zinc/70/69/65/604706965.db2.gz DUJLWCFVERPXDH-NSHDSACASA-N -1 0 343.345 3.665 20 0 EHADRM C[C@H](CC(=O)N(C)[C@H](C)c1cccs1)C1CCN(C(=O)[O-])CC1 ZINC000824551513 604720088 /nfs/dbraw/zinc/72/00/88/604720088.db2.gz LBTKJPFOJHOESG-CHWSQXEVSA-N -1 0 338.473 3.684 20 0 EHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC000833386157 604725872 /nfs/dbraw/zinc/72/58/72/604725872.db2.gz XPRUOTGZOMJKMI-CFYYFVFUSA-N -1 0 335.812 3.747 20 0 EHADRM Cc1cnn(-c2ccc(C)cc2NC(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000432105493 604747276 /nfs/dbraw/zinc/74/72/76/604747276.db2.gz DUXOJCITKILNMB-UHFFFAOYSA-N -1 0 341.392 3.501 20 0 EHADRM O=C([O-])c1ccc(-c2nc(Cc3cccc4cccnc43)no2)cc1F ZINC000833308522 604763502 /nfs/dbraw/zinc/76/35/02/604763502.db2.gz RGHCWHIEZPTVMM-UHFFFAOYSA-N -1 0 349.321 3.713 20 0 EHADRM O=C([O-])c1cccc(NC(=O)COc2cc(Cl)ccc2Cl)c1 ZINC000013318505 604763767 /nfs/dbraw/zinc/76/37/67/604763767.db2.gz AUSZKPHCORXRGM-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000537473549 604775818 /nfs/dbraw/zinc/77/58/18/604775818.db2.gz ZOZJOFQMKBVIQM-CWTRNNRKSA-N -1 0 341.382 3.506 20 0 EHADRM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000262193736 604788325 /nfs/dbraw/zinc/78/83/25/604788325.db2.gz RHYQCLMYNUFQDR-BUXKBTBVSA-N -1 0 341.382 3.506 20 0 EHADRM CC(C)c1cnc(COc2cc(Br)cc(C(=O)[O-])c2)o1 ZINC000700792721 604795089 /nfs/dbraw/zinc/79/50/89/604795089.db2.gz WQPFXEWJCDMSNG-UHFFFAOYSA-N -1 0 340.173 3.838 20 0 EHADRM Cc1sc(NC(=O)c2ncccc2C(F)(F)F)c(C(=O)[O-])c1C ZINC000833757954 604797126 /nfs/dbraw/zinc/79/71/26/604797126.db2.gz FNYWHABGKHUHFN-UHFFFAOYSA-N -1 0 344.314 3.729 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2CCSc3ccc(F)cc32)cc1F ZINC000833130692 604804986 /nfs/dbraw/zinc/80/49/86/604804986.db2.gz DSXVPHXZFFSGNL-AWEZNQCLSA-N -1 0 349.358 3.630 20 0 EHADRM O=C([O-])c1sc(N2Cc3ccccc3C(F)(F)C2)nc1Cl ZINC000833345627 604811985 /nfs/dbraw/zinc/81/19/85/604811985.db2.gz BKBQBXQVGBLFHD-UHFFFAOYSA-N -1 0 330.743 3.607 20 0 EHADRM Cc1cccc(C2=CCN(C(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)CC2)c1 ZINC000191676502 604816025 /nfs/dbraw/zinc/81/60/25/604816025.db2.gz JPPLPWZOMIFDNO-MSOLQXFVSA-N -1 0 327.424 3.502 20 0 EHADRM C[C@H](CSCc1ccccc1)C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000827576493 604816104 /nfs/dbraw/zinc/81/61/04/604816104.db2.gz XRHCQTVECJZLBV-CQSZACIVSA-N -1 0 343.448 3.917 20 0 EHADRM C[C@H](OC(=O)c1ccc(C(=O)[O-])s1)c1c(F)cc(F)cc1F ZINC000827854257 604820760 /nfs/dbraw/zinc/82/07/60/604820760.db2.gz UBTRLIXPZDYXCC-LURJTMIESA-N -1 0 330.283 3.782 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H](Cc3ccccc3)C2)cc1F ZINC000833308915 604822768 /nfs/dbraw/zinc/82/27/68/604822768.db2.gz FWFRMJCXRQSYOH-OAHLLOKOSA-N -1 0 341.382 3.619 20 0 EHADRM C[C@H](CSCc1ccccc1)C(=O)N(CC(=O)[O-])c1ccccc1 ZINC000827580381 604825637 /nfs/dbraw/zinc/82/56/37/604825637.db2.gz BESMKTPGOYAQGR-OAHLLOKOSA-N -1 0 343.448 3.674 20 0 EHADRM CCCOc1cccc(CCNC(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000829541301 604841705 /nfs/dbraw/zinc/84/17/05/604841705.db2.gz LEOTZHJPIBNLJF-UHFFFAOYSA-N -1 0 342.395 3.538 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)CCC2CCCC2)cc1Cl ZINC000237956395 604849083 /nfs/dbraw/zinc/84/90/83/604849083.db2.gz NDBHFJHAGRVDSV-UHFFFAOYSA-N -1 0 325.792 3.712 20 0 EHADRM CC(C)c1cccc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)n1 ZINC000827129775 604852196 /nfs/dbraw/zinc/85/21/96/604852196.db2.gz SBUFYSYIKQQCRC-UHFFFAOYSA-N -1 0 348.786 3.574 20 0 EHADRM CC(=O)C(C)(C)CCC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000833387936 604854176 /nfs/dbraw/zinc/85/41/76/604854176.db2.gz OJCJRPMRUNTUIA-UHFFFAOYSA-N -1 0 335.400 3.506 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=S)Nc2ccccc2Cl)C1 ZINC000833416844 604856589 /nfs/dbraw/zinc/85/65/89/604856589.db2.gz GRBYKPCAVNJNBH-NSHDSACASA-N -1 0 340.876 3.860 20 0 EHADRM O=C([O-])c1ccc(C(=O)OCc2c(F)cccc2Cl)cc1F ZINC000833353414 604857339 /nfs/dbraw/zinc/85/73/39/604857339.db2.gz UDZRZXRTUVNAAX-UHFFFAOYSA-N -1 0 326.682 3.673 20 0 EHADRM COc1cc2ccccc2cc1C(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000013224047 604864960 /nfs/dbraw/zinc/86/49/60/604864960.db2.gz PCFQTKCEQZOLIV-SFHVURJKSA-N -1 0 349.386 3.794 20 0 EHADRM Cc1cnc(CS[C@@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)s1 ZINC000833754410 604873537 /nfs/dbraw/zinc/87/35/37/604873537.db2.gz ZFQDAWMSCLACQQ-JTQLQIEISA-N -1 0 338.454 3.599 20 0 EHADRM O=C([O-])c1cnc(N(C(=O)[C@H]2CCCc3sccc32)C2CC2)s1 ZINC000833338582 604874333 /nfs/dbraw/zinc/87/43/33/604874333.db2.gz SBUDMKHAUQGJGB-NSHDSACASA-N -1 0 348.449 3.518 20 0 EHADRM CC1=C(C(=O)Nc2nc(-c3ccccc3)c(CC(=O)[O-])s2)CCC1 ZINC000833576312 604875688 /nfs/dbraw/zinc/87/56/88/604875688.db2.gz ZTFUTBMVAWZIPV-UHFFFAOYSA-N -1 0 342.420 3.876 20 0 EHADRM C/C(=C/C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1)c1ccc(F)cc1 ZINC000833381338 604877239 /nfs/dbraw/zinc/87/72/39/604877239.db2.gz FYPSRRMZPMMZAG-HJWRWDBZSA-N -1 0 346.383 3.900 20 0 EHADRM CC1=C(C(=O)Nc2cc(C(=O)[O-])c(F)cc2Br)CCC1 ZINC000833576058 604878542 /nfs/dbraw/zinc/87/85/42/604878542.db2.gz SPCVJAMIJIJDML-UHFFFAOYSA-N -1 0 342.164 3.725 20 0 EHADRM CCOc1cc(C(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)ccc1C ZINC000833662707 604878787 /nfs/dbraw/zinc/87/87/87/604878787.db2.gz GCTYLMFLEOOHDT-UHFFFAOYSA-N -1 0 346.408 3.678 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cc2c(cccc2F)s1)c1ccccc1 ZINC000324847807 604879959 /nfs/dbraw/zinc/87/99/59/604879959.db2.gz JTYCWANORWOYLE-CQSZACIVSA-N -1 0 343.379 3.986 20 0 EHADRM CC(C)c1ccccc1OCC(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000013224690 604880170 /nfs/dbraw/zinc/88/01/70/604880170.db2.gz JUCHHBSAUNXEGR-QGZVFWFLSA-N -1 0 341.407 3.521 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCSc1ccc(F)cc1)c1ccccc1 ZINC000013224856 604880221 /nfs/dbraw/zinc/88/02/21/604880221.db2.gz GRVFZJBUYWXZAG-MRXNPFEDSA-N -1 0 347.411 3.640 20 0 EHADRM C[C@H](C(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F)C(F)(F)F ZINC000833407615 604881608 /nfs/dbraw/zinc/88/16/08/604881608.db2.gz TZMWCJJWBBETID-MUWHJKNJSA-N -1 0 344.207 3.730 20 0 EHADRM Cc1cc(F)ccc1C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000761895951 604882951 /nfs/dbraw/zinc/88/29/51/604882951.db2.gz DYHJQTBNMIOJCT-OAHLLOKOSA-N -1 0 335.762 3.733 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC000649364875 604889979 /nfs/dbraw/zinc/88/99/79/604889979.db2.gz UJCXKOKGXYWTJR-IRXDYDNUSA-N -1 0 329.440 3.530 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cc3cccc(F)c3o2)C1 ZINC000679102910 604891370 /nfs/dbraw/zinc/89/13/70/604891370.db2.gz KJRKRSKEMHXTSK-LBPRGKRZSA-N -1 0 333.359 3.535 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)CCc2ccccc2Cl)C1 ZINC000322198890 604891387 /nfs/dbraw/zinc/89/13/87/604891387.db2.gz SFALZMSTAXTXKP-CQSZACIVSA-N -1 0 337.847 3.622 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)CC/C=C/c2ccccc2)C1 ZINC000679102570 604893984 /nfs/dbraw/zinc/89/39/84/604893984.db2.gz AIIFTZRPCZGHNC-CEUCYRDJSA-N -1 0 329.440 3.829 20 0 EHADRM C[C@H](C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000679102189 604894187 /nfs/dbraw/zinc/89/41/87/604894187.db2.gz URABVCAJPPCIHE-JSGCOSHPSA-N -1 0 337.847 3.793 20 0 EHADRM CC(C)[C@@H](C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccc(F)cc1 ZINC000833464733 604894307 /nfs/dbraw/zinc/89/43/07/604894307.db2.gz CTPJJQASVOCEBX-DOTOQJQBSA-N -1 0 349.446 3.915 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cccc(-c2ccoc2)c1)c1ccccc1 ZINC000190472939 604902308 /nfs/dbraw/zinc/90/23/08/604902308.db2.gz SMBDUQXDXMWEPR-SFHVURJKSA-N -1 0 335.359 3.892 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cccc(-c2ccoc2)c1)c1cccs1 ZINC000683298840 604904610 /nfs/dbraw/zinc/90/46/10/604904610.db2.gz KCIYOFPTWHFSPK-OAHLLOKOSA-N -1 0 341.388 3.954 20 0 EHADRM C[C@H](CC(=O)N[C@@H](C(=O)[O-])C(C)(C)C)Cc1ccc(Cl)cc1 ZINC000683307773 604912376 /nfs/dbraw/zinc/91/23/76/604912376.db2.gz LTJIJQZGFDXVLZ-NHYWBVRUSA-N -1 0 325.836 3.524 20 0 EHADRM CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000190871620 604914584 /nfs/dbraw/zinc/91/45/84/604914584.db2.gz HQIVJUODYJZVLF-UHFFFAOYSA-N -1 0 346.770 3.557 20 0 EHADRM C[C@@H](C(=O)N(CCCC(=O)[O-])Cc1ccccc1)c1ccsc1 ZINC000262177350 604933633 /nfs/dbraw/zinc/93/36/33/604933633.db2.gz QAFVKTJQQQZQQH-CQSZACIVSA-N -1 0 331.437 3.745 20 0 EHADRM CC(C)CC[C@@H](NC(=O)[C@H](C)NC(=O)[O-])c1ccc(Cl)cc1 ZINC000833480359 604946667 /nfs/dbraw/zinc/94/66/67/604946667.db2.gz HPFZTAJSYLNDHA-SMDDNHRTSA-N -1 0 326.824 3.590 20 0 EHADRM C[C@H]1C[C@@H](C(=O)OCc2c3ccccc3sc2C(=O)[O-])CCC1=O ZINC000833588714 604951955 /nfs/dbraw/zinc/95/19/55/604951955.db2.gz JISSRIYONAAPDW-QWRGUYRKSA-N -1 0 346.404 3.648 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H]2CCOC3(CCCCC3)C2)cc1C(=O)[O-] ZINC000832946545 604961229 /nfs/dbraw/zinc/96/12/29/604961229.db2.gz IREBCUUFSMKWBK-OAHLLOKOSA-N -1 0 346.427 3.697 20 0 EHADRM Cn1cc(NC(=O)N2CCC[C@H]2CCC2CCCC2)cc1C(=O)[O-] ZINC000833049977 604962090 /nfs/dbraw/zinc/96/20/90/604962090.db2.gz YUNIFUODHZJYKY-HNNXBMFYSA-N -1 0 333.432 3.690 20 0 EHADRM CC(C)c1ccc(CNC(=O)Nc2nc(CCC(=O)[O-])cs2)cc1 ZINC000827123777 604966901 /nfs/dbraw/zinc/96/69/01/604966901.db2.gz CQGLFSCSEHOANS-UHFFFAOYSA-N -1 0 347.440 3.605 20 0 EHADRM CCCC[C@H]1CCC[C@@H]1NC(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000829305099 604966949 /nfs/dbraw/zinc/96/69/49/604966949.db2.gz QKPOJDRNPZAKDN-AAEUAGOBSA-N -1 0 339.461 3.641 20 0 EHADRM C[C@]1(NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)CCCC[C@H]1C(=O)[O-] ZINC000262733817 604968210 /nfs/dbraw/zinc/96/82/10/604968210.db2.gz HQIOCERHNOZJPF-BSXFFOKHSA-N -1 0 335.831 3.593 20 0 EHADRM O=C([O-])c1ccnc(-c2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)c1 ZINC000833335398 604972382 /nfs/dbraw/zinc/97/23/82/604972382.db2.gz WBLNJPFBVQDFJR-UHFFFAOYSA-N -1 0 349.371 3.824 20 0 EHADRM CCC[C@H]1CCCC[C@@H]1NC(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000829257258 604990011 /nfs/dbraw/zinc/99/00/11/604990011.db2.gz XMLYIUKQRVPOOI-AAEUAGOBSA-N -1 0 339.461 3.641 20 0 EHADRM CCc1nc(NC(=O)c2sc(C(C)C)nc2C)sc1C(=O)[O-] ZINC000833674520 604993338 /nfs/dbraw/zinc/99/33/38/604993338.db2.gz CNWUFFZVIQCUGX-UHFFFAOYSA-N -1 0 339.442 3.544 20 0 EHADRM CCc1nc(NC(=O)/C=C\Sc2ccccc2)sc1C(=O)[O-] ZINC000833675084 604996247 /nfs/dbraw/zinc/99/62/47/604996247.db2.gz BMJZEAMEDIEROS-HJWRWDBZSA-N -1 0 334.422 3.648 20 0 EHADRM C[C@@H](C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-])c1c(F)cccc1F ZINC000262909617 605026202 /nfs/dbraw/zinc/02/62/02/605026202.db2.gz JMDAEMYYQXYLHY-OLZOCXBDSA-N -1 0 347.361 3.570 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)OCc1ccccc1Oc1cccnc1 ZINC000833455043 605033365 /nfs/dbraw/zinc/03/33/65/605033365.db2.gz GGKOQHZXTYUDIC-UHFFFAOYSA-N -1 0 343.379 3.808 20 0 EHADRM CC1(C)CC[C@@H](C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)C1 ZINC000833557694 605081614 /nfs/dbraw/zinc/08/16/14/605081614.db2.gz WPMIWLXZJIRBGM-SNVBAGLBSA-N -1 0 325.792 3.568 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000321593628 605090867 /nfs/dbraw/zinc/09/08/67/605090867.db2.gz PVWPEJNNVYNDMH-UHFFFAOYSA-N -1 0 332.322 3.718 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc2nc(C)sc2c1)C(=O)[O-] ZINC000424470432 605090873 /nfs/dbraw/zinc/09/08/73/605090873.db2.gz LQCNMMCCJNBKHP-UHFFFAOYSA-N -1 0 335.429 3.617 20 0 EHADRM CC(C)(C)/C=C\C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000833423869 605093226 /nfs/dbraw/zinc/09/32/26/605093226.db2.gz ZLMGOGXJVYYMMZ-SREVYHEPSA-N -1 0 326.190 3.688 20 0 EHADRM CCC(CC)(CNC(=O)N(C)Cc1csc2ccccc12)C(=O)[O-] ZINC000424411352 605096602 /nfs/dbraw/zinc/09/66/02/605096602.db2.gz KNLOUBFEDGZEPK-UHFFFAOYSA-N -1 0 348.468 3.934 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1nc(COc2ccccc2)cs1 ZINC000833456428 605102166 /nfs/dbraw/zinc/10/21/66/605102166.db2.gz NEFQPOYJLDKUNY-UHFFFAOYSA-N -1 0 348.424 3.552 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCSc2ccc(Cl)cc21 ZINC000833452943 605104028 /nfs/dbraw/zinc/10/40/28/605104028.db2.gz ZTJIOVADLFIFJV-UHFFFAOYSA-N -1 0 327.833 3.670 20 0 EHADRM CC(C)(C)OCc1cccc(CNC(=O)CC(C)(C)CC(=O)[O-])c1 ZINC000236811641 605107322 /nfs/dbraw/zinc/10/73/22/605107322.db2.gz ZAAQUUXTRHSBOR-UHFFFAOYSA-N -1 0 335.444 3.509 20 0 EHADRM C[C@H]1CC[C@H](NC(=O)c2cccc(OCC(=O)[O-])c2)c2ccccc21 ZINC000262885232 605108730 /nfs/dbraw/zinc/10/87/30/605108730.db2.gz YGYDCXUQGGGFBX-UGSOOPFHSA-N -1 0 339.391 3.518 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000833455830 605110352 /nfs/dbraw/zinc/11/03/52/605110352.db2.gz YMDHFAQYXQEXBR-UHFFFAOYSA-N -1 0 338.835 3.770 20 0 EHADRM CCc1ccc(CN(C(=O)Nc2cc(C)[nH]c2C(=O)[O-])C2CC2)cc1 ZINC000833670406 605127563 /nfs/dbraw/zinc/12/75/63/605127563.db2.gz OBGVCZYXKSLOKT-UHFFFAOYSA-N -1 0 341.411 3.780 20 0 EHADRM CCS[C@H]1CC[C@H](N(C)C(=O)Nc2ccsc2C(=O)[O-])C1 ZINC000833667118 605127730 /nfs/dbraw/zinc/12/77/30/605127730.db2.gz FPUVNPZMROGNAP-UWVGGRQHSA-N -1 0 328.459 3.584 20 0 EHADRM CC(=O)c1ccccc1NCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833403350 605147054 /nfs/dbraw/zinc/14/70/54/605147054.db2.gz HLLPGGNOVAZRAU-UHFFFAOYSA-N -1 0 336.347 3.855 20 0 EHADRM C[C@H](C(=O)Oc1ccccc1C(=O)[O-])c1ccc(Br)cc1 ZINC000833409893 605147591 /nfs/dbraw/zinc/14/75/91/605147591.db2.gz TUESVBKGXKYKAY-JTQLQIEISA-N -1 0 349.180 3.856 20 0 EHADRM COc1ccc(C)cc1NCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833731369 605148712 /nfs/dbraw/zinc/14/87/12/605148712.db2.gz XJLVSBPSMXUZKG-UHFFFAOYSA-N -1 0 338.363 3.969 20 0 EHADRM CCC(CC)n1nc(C(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])cc1C ZINC000262998905 605152444 /nfs/dbraw/zinc/15/24/44/605152444.db2.gz UPYGRCLITJZXET-HOTGVXAUSA-N -1 0 349.475 3.706 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)OCc2ccc(C(=O)[O-])s2)c1C(C)C ZINC000833401620 605159256 /nfs/dbraw/zinc/15/92/56/605159256.db2.gz ZZQFQNZWQYUQSL-UHFFFAOYSA-N -1 0 349.408 3.766 20 0 EHADRM C[C@H]1CCC[C@@H](OCCCCCC(=O)Nc2cc(C(=O)[O-])ccn2)C1 ZINC000833608840 605161959 /nfs/dbraw/zinc/16/19/59/605161959.db2.gz QAJSXYXQHGMBRV-GOEBONIOSA-N -1 0 348.443 3.874 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)NC2(CC(=O)[O-])CCCCC2)c1C(C)C ZINC000562397585 605162892 /nfs/dbraw/zinc/16/28/92/605162892.db2.gz IVVWRCSVOGLAHI-UHFFFAOYSA-N -1 0 348.443 3.557 20 0 EHADRM CCC(CC)n1nc(C(=O)OCc2ccc(F)cc2C(=O)[O-])cc1C ZINC000833642061 605165748 /nfs/dbraw/zinc/16/57/48/605165748.db2.gz XPYJDQCIUKDURF-UHFFFAOYSA-N -1 0 348.374 3.747 20 0 EHADRM COc1ccc(CCCCCC(=O)Nc2cncc(C(=O)[O-])c2)cc1 ZINC000833731450 605167514 /nfs/dbraw/zinc/16/75/14/605167514.db2.gz CKGFLNLYRZQTAW-UHFFFAOYSA-N -1 0 342.395 3.530 20 0 EHADRM CC(C)(NCc1ccoc1C(=O)[O-])c1ccccc1Br ZINC000833460407 605172187 /nfs/dbraw/zinc/17/21/87/605172187.db2.gz FIFSWBBWXIJOBC-UHFFFAOYSA-N -1 0 338.201 3.765 20 0 EHADRM C[C@H]1CC[C@H](NC(=O)Nc2cncc(C(=O)[O-])c2)c2ccccc21 ZINC000833603364 605182161 /nfs/dbraw/zinc/18/21/61/605182161.db2.gz KOWGFUJISYPGNZ-ZBEGNZNMSA-N -1 0 325.368 3.540 20 0 EHADRM CC(C)(CCC(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000190915018 605182186 /nfs/dbraw/zinc/18/21/86/605182186.db2.gz ZSVICIZUNBGEKO-UHFFFAOYSA-N -1 0 341.407 3.847 20 0 EHADRM O=C([O-])CCSCCNc1cnc2cc(Cl)c(Cl)cc2n1 ZINC000833774796 605185143 /nfs/dbraw/zinc/18/51/43/605185143.db2.gz HIANMJLIATXTCX-UHFFFAOYSA-N -1 0 346.239 3.556 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)c1ccc2c(c1)N=S=N2 ZINC000262962122 605198388 /nfs/dbraw/zinc/19/83/88/605198388.db2.gz OGTQQGCSBFZSHL-NEPJUHHUSA-N -1 0 333.413 3.566 20 0 EHADRM CC[C@@H](C)Oc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)ccn1 ZINC000833640867 605201748 /nfs/dbraw/zinc/20/17/48/605201748.db2.gz HBFSMHXEHDEDLY-SNVBAGLBSA-N -1 0 348.786 3.863 20 0 EHADRM CC[C@@H](C)Oc1cc(C(=O)Nc2ccc(NC(=O)[O-])cc2)ccn1 ZINC000833640894 605205721 /nfs/dbraw/zinc/20/57/21/605205721.db2.gz IJDVZTYAGMXXOW-LLVKDONJSA-N -1 0 329.356 3.601 20 0 EHADRM C[C@@H](Nc1ccc(CN(C)C(=O)[O-])cc1)c1ccc([S@@](C)=O)cc1 ZINC000833525797 605218726 /nfs/dbraw/zinc/21/87/26/605218726.db2.gz QUFRIJUJKWQUPT-YEBMWUKDSA-N -1 0 346.452 3.707 20 0 EHADRM CC(=O)c1cc(F)c(NC(=O)c2cccc(NC(=O)[O-])c2)c(F)c1 ZINC000833401624 605220627 /nfs/dbraw/zinc/22/06/27/605220627.db2.gz YUMNXSBIEMUMCY-UHFFFAOYSA-N -1 0 334.278 3.510 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NCC1(c2ccc(Cl)cc2)CCC1 ZINC000190633151 605222580 /nfs/dbraw/zinc/22/25/80/605222580.db2.gz YKPASIFJFNMKDY-UHFFFAOYSA-N -1 0 337.847 3.769 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)/C=C/c1ccnc2ccccc12)C(=O)[O-] ZINC000833426154 605233148 /nfs/dbraw/zinc/23/31/48/605233148.db2.gz FLKQBTMJDXAWEW-FDMDGMSGSA-N -1 0 327.380 3.681 20 0 EHADRM CC1=C(C(=O)[O-])C[C@H](CSc2nnc(-c3ccc(C)c(C)c3)o2)O1 ZINC000833582074 605233171 /nfs/dbraw/zinc/23/31/71/605233171.db2.gz RSPMGVGJIDJULD-CYBMUJFWSA-N -1 0 346.408 3.593 20 0 EHADRM CC(C)(c1nnc(NCc2c[nH]c(C(=O)[O-])c2)s1)c1ccccc1 ZINC000833462406 605237582 /nfs/dbraw/zinc/23/75/82/605237582.db2.gz ABRNPKDRBCKISV-UHFFFAOYSA-N -1 0 342.424 3.502 20 0 EHADRM CC(C)(CNC(=O)Cc1ccccc1C(=O)[O-])c1ccc(Cl)cc1 ZINC000263511061 605237921 /nfs/dbraw/zinc/23/79/21/605237921.db2.gz CHNXKDMWLIKJDO-UHFFFAOYSA-N -1 0 345.826 3.675 20 0 EHADRM CCCN(C(=O)Cc1ccccc1C(=O)[O-])[C@H]1CCc2ccccc21 ZINC000833651521 605239607 /nfs/dbraw/zinc/23/96/07/605239607.db2.gz NXDZEQSOKQAFBM-IBGZPJMESA-N -1 0 337.419 3.853 20 0 EHADRM CC(C)(C)OC(=O)[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000833444839 605244538 /nfs/dbraw/zinc/24/45/38/605244538.db2.gz NVTQTJKMNMBCKQ-KRWDZBQOSA-N -1 0 341.407 3.557 20 0 EHADRM Cc1nc(-c2cccc(NC[C@@H]3CCCN(C(=O)[O-])C3)c2)oc1C ZINC000830691497 605248545 /nfs/dbraw/zinc/24/85/45/605248545.db2.gz ORHQVHKYGUROTB-AWEZNQCLSA-N -1 0 329.400 3.760 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)Nc1cc(OC)ccc1C(=O)[O-] ZINC000833641576 605248797 /nfs/dbraw/zinc/24/87/97/605248797.db2.gz GVLGRHQLHNEASU-UHFFFAOYSA-N -1 0 345.399 3.512 20 0 EHADRM CC(C)(C)c1ccc2cc(C(=O)Nc3ccc(C(=O)[O-])nc3)[nH]c2c1 ZINC000833449302 605256417 /nfs/dbraw/zinc/25/64/17/605256417.db2.gz HHFCUEBTKYYYTK-UHFFFAOYSA-N -1 0 337.379 3.811 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000683303014 605258452 /nfs/dbraw/zinc/25/84/52/605258452.db2.gz YUOHCNRBSNMCPM-WCQYABFASA-N -1 0 343.345 3.569 20 0 EHADRM COc1c(Cl)cc(NC(=O)CC(C)(C)CC(=O)[O-])cc1Cl ZINC000337659963 605258459 /nfs/dbraw/zinc/25/84/59/605258459.db2.gz ARWCMZKPAKDYTG-UHFFFAOYSA-N -1 0 334.199 3.832 20 0 EHADRM C[C@H]1CCCC[C@H]1NC(=S)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833613866 605260205 /nfs/dbraw/zinc/26/02/05/605260205.db2.gz VYPNDDVIUGAGHH-JOYOIKCWSA-N -1 0 325.409 3.781 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCC[C@@H]1CCCc1ccccc1 ZINC000649370844 605264755 /nfs/dbraw/zinc/26/47/55/605264755.db2.gz CGWOVVIZMJFXAO-KRWDZBQOSA-N -1 0 331.456 3.891 20 0 EHADRM CC(C)(C)OC(=O)c1cccc(/C=C/c2ncc(C(=O)[O-])s2)c1 ZINC000833443928 605288324 /nfs/dbraw/zinc/28/83/24/605288324.db2.gz FINPFPAYXFUBNT-BQYQJAHWSA-N -1 0 331.393 3.967 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccnc(C2CC2)c1)c1ccc(Cl)cc1 ZINC000630146336 605298203 /nfs/dbraw/zinc/29/82/03/605298203.db2.gz MFMSDMGGSZIRNC-INIZCTEOSA-N -1 0 344.798 3.558 20 0 EHADRM O=C([O-])NC1(c2noc([C@H]3CCCc4sccc43)n2)CCCC1 ZINC000832227109 605299754 /nfs/dbraw/zinc/29/97/54/605299754.db2.gz BVVUAMPYJWSPIT-NSHDSACASA-N -1 0 333.413 3.636 20 0 EHADRM O=C([O-])NCCOc1ccc(NC(=O)c2sccc2C2CC2)cc1 ZINC000834245228 605343845 /nfs/dbraw/zinc/34/38/45/605343845.db2.gz KMYWYASGUKBCFV-UHFFFAOYSA-N -1 0 346.408 3.524 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)C3CCC(F)(F)CC3)ccc21 ZINC000834053764 605459849 /nfs/dbraw/zinc/45/98/49/605459849.db2.gz BYCJWXZCNRMGLO-UHFFFAOYSA-N -1 0 338.354 3.881 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833384176 605471278 /nfs/dbraw/zinc/47/12/78/605471278.db2.gz OBUWGBIPCKDPCE-VMEIHUARSA-N -1 0 329.440 3.748 20 0 EHADRM CCCN(C(=O)Nc1ccccc1CC)C1CCN(C(=O)[O-])CC1 ZINC000826879802 605539177 /nfs/dbraw/zinc/53/91/77/605539177.db2.gz QAZFSPMBEPRGPF-UHFFFAOYSA-N -1 0 333.432 3.635 20 0 EHADRM O=C([O-])N1CCC(NC(=O)Nc2cc(C(F)F)ccc2Cl)CC1 ZINC000831753248 605557265 /nfs/dbraw/zinc/55/72/65/605557265.db2.gz RYFRWEOHJRVALX-UHFFFAOYSA-N -1 0 347.749 3.542 20 0 EHADRM O=C([O-])N[C@@H](CC(=O)Nc1ccc(F)cc1Cl)c1ccccc1 ZINC000832104759 605566170 /nfs/dbraw/zinc/56/61/70/605566170.db2.gz INMDRHWAPOYAJH-AWEZNQCLSA-N -1 0 336.750 3.817 20 0 EHADRM O=C([O-])N[C@H](CC(=O)N1CCC[C@H]1c1cccs1)c1ccccc1 ZINC000832094717 605569173 /nfs/dbraw/zinc/56/91/73/605569173.db2.gz WHSNDRXBTHORPF-CABCVRRESA-N -1 0 344.436 3.811 20 0 EHADRM CSc1ccccc1NC(=O)C[C@@H](NC(=O)[O-])c1ccccc1 ZINC000829771988 605574727 /nfs/dbraw/zinc/57/47/27/605574727.db2.gz KWBLHNDMVXQQRX-CQSZACIVSA-N -1 0 330.409 3.746 20 0 EHADRM O=C([O-])N[C@H](CC(=O)Oc1ccc2ccncc2c1)c1ccccc1 ZINC000834131355 605577993 /nfs/dbraw/zinc/57/79/93/605577993.db2.gz UJJWVAIZQWIDSH-QGZVFWFLSA-N -1 0 336.347 3.539 20 0 EHADRM CCOc1cc(F)ccc1NC(=O)C[C@H](NC(=O)[O-])c1ccccc1 ZINC000827418588 605590007 /nfs/dbraw/zinc/59/00/07/605590007.db2.gz PZKIAXCFYRWNAN-HNNXBMFYSA-N -1 0 346.358 3.562 20 0 EHADRM COc1ccc([C@H](C)NC(=O)c2ccc(NC(=O)[O-])c(C)c2)cc1 ZINC000829302629 605596346 /nfs/dbraw/zinc/59/63/46/605596346.db2.gz ITMYHYGKPHUDRF-LBPRGKRZSA-N -1 0 328.368 3.585 20 0 EHADRM Cc1cc(C(=O)Nc2ccccc2-n2cccn2)ccc1NC(=O)[O-] ZINC000829965817 605613077 /nfs/dbraw/zinc/61/30/77/605613077.db2.gz KNFUBBUZMPTHNJ-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM Cc1cc(NC(=O)c2ccc(NC(=O)[O-])c(C)c2)n(C(C)(C)C)n1 ZINC000830116902 605620946 /nfs/dbraw/zinc/62/09/46/605620946.db2.gz PJQUGRAOSOIMID-UHFFFAOYSA-N -1 0 330.388 3.597 20 0 EHADRM COc1c(Cl)cccc1NC(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000829067669 605637374 /nfs/dbraw/zinc/63/73/74/605637374.db2.gz YZMIUPGXYZSQGF-UHFFFAOYSA-N -1 0 334.759 3.999 20 0 EHADRM Cc1cc(C(=O)N[C@@H]2CCc3cc(F)ccc32)ccc1NC(=O)[O-] ZINC000829941814 605637500 /nfs/dbraw/zinc/63/75/00/605637500.db2.gz ZEAHIOSTNRDEBZ-MRXNPFEDSA-N -1 0 328.343 3.641 20 0 EHADRM O=C([O-])NC[C@H]1CCC[C@@H]1Nc1cccc(OCc2cscn2)c1 ZINC000834219603 605661568 /nfs/dbraw/zinc/66/15/68/605661568.db2.gz XRXVPDSQUSBSFA-WBMJQRKESA-N -1 0 347.440 3.570 20 0 EHADRM O=C([O-])c1cccc(COC(=O)c2ccc([C@H]3CCCOC3)cc2)c1 ZINC000833783503 605674935 /nfs/dbraw/zinc/67/49/35/605674935.db2.gz LSTZLJAXGHAOLI-SFHVURJKSA-N -1 0 340.375 3.636 20 0 EHADRM C[C@@H](OC(=O)c1cnc(C(=O)[O-])cn1)c1ccccc1-c1ccccc1 ZINC000833535797 605679167 /nfs/dbraw/zinc/67/91/67/605679167.db2.gz LARVWUUJANECAE-CYBMUJFWSA-N -1 0 348.358 3.760 20 0 EHADRM Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(NC(=O)[O-])c(C)c2)s1 ZINC000830716713 605681275 /nfs/dbraw/zinc/68/12/75/605681275.db2.gz WSDBONUTLDICMM-NSHDSACASA-N -1 0 347.440 3.991 20 0 EHADRM O=C([O-])NC1CCC(Nc2ccccc2OCc2cscn2)CC1 ZINC000834167311 605697885 /nfs/dbraw/zinc/69/78/85/605697885.db2.gz IPAACAGTRLVILP-UHFFFAOYSA-N -1 0 347.440 3.713 20 0 EHADRM Cc1csc([C@@H](NC(=O)c2ccc(NC(=O)[O-])c(C)c2)C2CC2)n1 ZINC000830660119 605702522 /nfs/dbraw/zinc/70/25/22/605702522.db2.gz ACQDKNPKDPCJSS-AWEZNQCLSA-N -1 0 345.424 3.731 20 0 EHADRM COc1cccc(C2(NC(=O)c3ccc(NC(=O)[O-])c(C)c3)CC2)c1 ZINC000829550739 605711580 /nfs/dbraw/zinc/71/15/80/605711580.db2.gz QPLYLGPECQHPPJ-UHFFFAOYSA-N -1 0 340.379 3.513 20 0 EHADRM CC1(OCC(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CCC1 ZINC000833572086 605715333 /nfs/dbraw/zinc/71/53/33/605715333.db2.gz NXTNHHUSICSERZ-CYBMUJFWSA-N -1 0 347.194 3.622 20 0 EHADRM COc1ccc(NC(=O)N2CC[C@@H](C)C3(CCC3)C2)cc1NC(=O)[O-] ZINC000833888974 605751213 /nfs/dbraw/zinc/75/12/13/605751213.db2.gz JWLCCCGQUUUPGD-GFCCVEGCSA-N -1 0 347.415 3.829 20 0 EHADRM C[C@H](C(=O)N1CC[C@H](NC(=O)[O-])C[C@H]1C)c1ccc2ccccc2c1 ZINC000823662073 605753338 /nfs/dbraw/zinc/75/33/38/605753338.db2.gz MFKKCFLAICYLSP-GLJUWKHASA-N -1 0 340.423 3.590 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N2CCC[C@@H]2c2ccsc2)c1 ZINC000834264996 605759500 /nfs/dbraw/zinc/75/95/00/605759500.db2.gz JUQIGKSYUMCBKV-OAHLLOKOSA-N -1 0 330.409 3.744 20 0 EHADRM CC(=O)Nc1cc(NCc2cc(C(=O)[O-])ccc2Cl)ccc1F ZINC000833398849 605783563 /nfs/dbraw/zinc/78/35/63/605783563.db2.gz UCOTZNQEYVFXNT-UHFFFAOYSA-N -1 0 336.750 3.748 20 0 EHADRM C[C@@H](C(=O)Nc1scnc1C1CC1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000833791002 605783869 /nfs/dbraw/zinc/78/38/69/605783869.db2.gz RPCBWEOXRMIWIV-ZWNOBZJWSA-N -1 0 345.424 3.604 20 0 EHADRM COc1ccc(CCCCCC(=O)N2CCCCC[C@@H]2C(=O)[O-])cc1 ZINC000833731846 605796630 /nfs/dbraw/zinc/79/66/30/605796630.db2.gz NXSCOAKTKFQBEK-GOSISDBHSA-N -1 0 347.455 3.654 20 0 EHADRM Cc1ccc(C(=O)OCc2cc(C(=O)[O-])ccc2Cl)c(Cl)n1 ZINC000833748130 605811276 /nfs/dbraw/zinc/81/12/76/605811276.db2.gz SUEZHORMQRIFLK-UHFFFAOYSA-N -1 0 340.162 3.752 20 0 EHADRM CN(C(=O)CCC(C)(C)NC(=O)[O-])c1c(Cl)cccc1Cl ZINC000833869422 605814345 /nfs/dbraw/zinc/81/43/45/605814345.db2.gz NSHVWCVBUSQKRX-UHFFFAOYSA-N -1 0 333.215 3.783 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)Nc2ccc(F)cc2NC2CC2)c1 ZINC000834266611 605832656 /nfs/dbraw/zinc/83/26/56/605832656.db2.gz RDGIELWVUXFHAY-UHFFFAOYSA-N -1 0 343.358 3.671 20 0 EHADRM CN(Cc1cc(C(=O)[O-])ccc1Cl)C[C@@H]1OCCc2ccccc21 ZINC000833694801 605832699 /nfs/dbraw/zinc/83/26/99/605832699.db2.gz PZINQQFXPBJMOT-SFHVURJKSA-N -1 0 345.826 3.784 20 0 EHADRM Cc1scc(C(=O)N2CCCc3cc(CNC(=O)[O-])ccc32)c1C ZINC000833938439 605866921 /nfs/dbraw/zinc/86/69/21/605866921.db2.gz MNPGJKFSYQLEEY-UHFFFAOYSA-N -1 0 344.436 3.726 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N(Cc2ccc(O)cc2)CC2CC2)cc1 ZINC000832829691 605876634 /nfs/dbraw/zinc/87/66/34/605876634.db2.gz ZUQKBJKBEPYTQU-UHFFFAOYSA-N -1 0 340.379 3.535 20 0 EHADRM Cc1scc(C(=O)N2CCCN(C(=O)[O-])c3ccccc32)c1C ZINC000833937765 605877010 /nfs/dbraw/zinc/87/70/10/605877010.db2.gz HMOYFRNLTTVHRQ-UHFFFAOYSA-N -1 0 330.409 3.900 20 0 EHADRM C[C@H](OC(=O)c1cc(C(=O)[O-])no1)c1c(Cl)ccc(F)c1Cl ZINC000833532432 605900409 /nfs/dbraw/zinc/90/04/09/605900409.db2.gz QPTFXQGYICSSFF-YFKPBYRVSA-N -1 0 348.113 3.737 20 0 EHADRM O=C([O-])NCCCCC(=O)NCC1(c2cccs2)CCCCC1 ZINC000834236698 605900964 /nfs/dbraw/zinc/90/09/64/605900964.db2.gz WLTLKUKNXOKFJB-UHFFFAOYSA-N -1 0 338.473 3.504 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2cccc(CCCO)c2)c(Cl)c1 ZINC000834256359 605908767 /nfs/dbraw/zinc/90/87/67/605908767.db2.gz ONPMPLDEBSVWPF-UHFFFAOYSA-N -1 0 348.786 3.607 20 0 EHADRM O=C([O-])NC[C@H]1CCN(C(=O)N(c2ccccc2)c2ccccc2)C1 ZINC000834227092 605954661 /nfs/dbraw/zinc/95/46/61/605954661.db2.gz ZZRSCUGHESKZQM-OAHLLOKOSA-N -1 0 339.395 3.534 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)CCc3ccc4[nH]ccc4c3)ccc21 ZINC000833999772 605993654 /nfs/dbraw/zinc/99/36/54/605993654.db2.gz OTNXPFDMFPNYKA-UHFFFAOYSA-N -1 0 349.390 3.780 20 0 EHADRM O=C(CCC1CCN(C(=O)[O-])CC1)N[C@H]1CCSc2ccccc21 ZINC000833992075 606001590 /nfs/dbraw/zinc/00/15/90/606001590.db2.gz UHLXPZNFBZACMR-HNNXBMFYSA-N -1 0 348.468 3.510 20 0 EHADRM Cc1noc(C)c1[C@@H](C)CC(=O)OCc1cccc(NC(=O)[O-])c1 ZINC000833929885 606007403 /nfs/dbraw/zinc/00/74/03/606007403.db2.gz PDEXBNOJASTCHD-JTQLQIEISA-N -1 0 332.356 3.618 20 0 EHADRM O=C([O-])Nc1cccc(CSCc2nc(CC(F)(F)F)no2)c1 ZINC000834267894 606010793 /nfs/dbraw/zinc/01/07/93/606010793.db2.gz DMSNBHYHFUFICS-UHFFFAOYSA-N -1 0 347.318 3.698 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)[C@H](CC(F)F)NC(=O)[O-])c1ccccc1 ZINC000833789576 606012356 /nfs/dbraw/zinc/01/23/56/606012356.db2.gz LWSYBDYFGSHOPI-QWHCGFSZSA-N -1 0 342.386 3.572 20 0 EHADRM O=C([O-])Nc1cnc(C(=O)N(c2ccccc2)C2CCCCC2)cn1 ZINC000834275783 606020194 /nfs/dbraw/zinc/02/01/94/606020194.db2.gz OFCZALZEDKISQQ-UHFFFAOYSA-N -1 0 340.383 3.546 20 0 EHADRM O=C([O-])N[C@H](CC(F)F)C(=O)Nc1cccc(-c2cccs2)c1 ZINC000834133814 606032171 /nfs/dbraw/zinc/03/21/71/606032171.db2.gz NDURSJMBUNAAJX-LLVKDONJSA-N -1 0 340.351 3.645 20 0 EHADRM O=C([O-])N1CCC(CCC(=O)N2CCC[C@@]3(CC=CCC3)C2)CC1 ZINC000834075901 606048116 /nfs/dbraw/zinc/04/81/16/606048116.db2.gz MUCJCQCGGNIMPC-IBGZPJMESA-N -1 0 334.460 3.506 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCCCSCC(C)C ZINC000833906906 606091187 /nfs/dbraw/zinc/09/11/87/606091187.db2.gz RABAYRPOSOSPES-UHFFFAOYSA-N -1 0 339.461 3.986 20 0 EHADRM CC1(C)CCC[C@H](C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000824801085 607920382 /nfs/dbraw/zinc/92/03/82/607920382.db2.gz AHRLBMJSFZUUPV-JTQLQIEISA-N -1 0 345.472 3.572 20 0 EHADRM C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1)c1cccs1 ZINC000181903586 939034184 /nfs/dbraw/zinc/03/41/84/939034184.db2.gz OEORNSMHOBUGSO-AMIZOPFISA-N -1 0 341.791 3.586 20 0 EHADRM C[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1)c1cccs1 ZINC000181903552 939034510 /nfs/dbraw/zinc/03/45/10/939034510.db2.gz OEORNSMHOBUGSO-OQPBUACISA-N -1 0 341.791 3.586 20 0 EHADRM CC(C)c1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000684742125 939043455 /nfs/dbraw/zinc/04/34/55/939043455.db2.gz OBZHPBVGBAWNGM-INIZCTEOSA-N -1 0 330.359 3.897 20 0 EHADRM Cc1ccc(SCCC(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1C ZINC000237769169 939049703 /nfs/dbraw/zinc/04/97/03/939049703.db2.gz DVDBPTJTCWXKCO-GOSISDBHSA-N -1 0 343.448 3.728 20 0 EHADRM CCC(C)(C)N(C)C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000684894926 939052396 /nfs/dbraw/zinc/05/23/96/939052396.db2.gz KNOZEAOGDOGULO-INIZCTEOSA-N -1 0 328.412 3.796 20 0 EHADRM O=C([O-])C1(NC(=O)c2ccc(SCc3ccccc3)cc2)CCC1 ZINC000237977618 939052693 /nfs/dbraw/zinc/05/26/93/939052693.db2.gz XSAIZBYUEKBXNL-UHFFFAOYSA-N -1 0 341.432 3.716 20 0 EHADRM O=C([O-])C1(NC(=O)CCCSc2ccc(Cl)cc2)CCCC1 ZINC000238075362 939057205 /nfs/dbraw/zinc/05/72/05/939057205.db2.gz KWFVANMGGOPZMV-UHFFFAOYSA-N -1 0 341.860 3.726 20 0 EHADRM CC[C@@](NC(=O)c1cc(C(C)C)oc1C)(C(=O)[O-])c1ccccc1 ZINC000263102126 939100233 /nfs/dbraw/zinc/10/02/33/939100233.db2.gz IWVPZYWITKHRAD-IBGZPJMESA-N -1 0 329.396 3.831 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC000263206834 939109536 /nfs/dbraw/zinc/10/95/36/939109536.db2.gz ZEYBJDFTGSVJBS-IPYPFGDCSA-N -1 0 347.411 3.550 20 0 EHADRM COc1ccc(NC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)cc1Cl ZINC000320273962 939123457 /nfs/dbraw/zinc/12/34/57/939123457.db2.gz UPUOMCMEUHOQHP-CQSZACIVSA-N -1 0 340.807 3.504 20 0 EHADRM CCCOc1ccc(NC(=O)N[C@H](C(=O)[O-])C2CCCCC2)c(C)c1 ZINC000780458988 939124688 /nfs/dbraw/zinc/12/46/88/939124688.db2.gz NKQDNALKXDQJLQ-KRWDZBQOSA-N -1 0 348.443 3.939 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2ccc(OC(F)F)cc2)CCCCCC1 ZINC000325136886 939126227 /nfs/dbraw/zinc/12/62/27/939126227.db2.gz UBAVEXBUZWFWEQ-UHFFFAOYSA-N -1 0 342.342 3.587 20 0 EHADRM CCCCSCCC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000345824702 939128266 /nfs/dbraw/zinc/12/82/66/939128266.db2.gz MOHYLLCLNXUORJ-CQSZACIVSA-N -1 0 347.839 3.644 20 0 EHADRM O=C([O-])C1(NC(=O)NCc2ccc(Cl)c(Cl)c2)CCCCC1 ZINC000386978399 939133596 /nfs/dbraw/zinc/13/35/96/939133596.db2.gz ZAGPLRCQDQTFDN-UHFFFAOYSA-N -1 0 345.226 3.580 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2cc(C3CCCCC3)[nH]n2)c1 ZINC001600110143 970767355 /nfs/dbraw/zinc/76/73/55/970767355.db2.gz DTDRKWKPVHDCRD-UHFFFAOYSA-N -1 0 327.384 3.716 20 0 EHADRM CSc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccccc2)c1C ZINC000780714338 939147910 /nfs/dbraw/zinc/14/79/10/939147910.db2.gz SMQACIYRVCVJQX-OAHLLOKOSA-N -1 0 330.409 3.664 20 0 EHADRM CC(C)c1cccc(-c2ccc(C(=O)N[C@H](C(=O)[O-])C3CC3)o2)c1 ZINC000431459736 939152049 /nfs/dbraw/zinc/15/20/49/939152049.db2.gz SWXFLFCRGMZQML-KRWDZBQOSA-N -1 0 327.380 3.663 20 0 EHADRM CCCCSCC(=O)N[C@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000795540123 939156699 /nfs/dbraw/zinc/15/66/99/939156699.db2.gz PQMCCAXRWVAANQ-INIZCTEOSA-N -1 0 343.876 3.679 20 0 EHADRM Cc1ccc(CC(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)cc1 ZINC000431860302 939163704 /nfs/dbraw/zinc/16/37/04/939163704.db2.gz UVKOQCMGWCPBNW-FQEVSTJZSA-N -1 0 333.387 3.633 20 0 EHADRM Cc1ccc([C@H](NC(=O)[C@@H]2CCCc3sccc32)C(=O)[O-])cc1C ZINC000448992649 939205642 /nfs/dbraw/zinc/20/56/42/939205642.db2.gz MACVJOUALYVBNL-WBVHZDCISA-N -1 0 343.448 3.727 20 0 EHADRM O=C([O-])[C@H](NC(=O)CCC(F)(F)F)c1ccc(Cl)cc1Cl ZINC000449005352 939207153 /nfs/dbraw/zinc/20/71/53/939207153.db2.gz UVWKCRVJJQYBIV-SNVBAGLBSA-N -1 0 344.116 3.578 20 0 EHADRM CC1=C(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CCC1 ZINC000449002278 939207240 /nfs/dbraw/zinc/20/72/40/939207240.db2.gz MIEHFFWRPCJGKX-CYBMUJFWSA-N -1 0 328.195 3.736 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(C2CCC2)cc1)c1cc(F)ccc1F ZINC000799243439 939211785 /nfs/dbraw/zinc/21/17/85/939211785.db2.gz BAIYMAXZHMYSNP-KRWDZBQOSA-N -1 0 345.345 3.788 20 0 EHADRM Cc1cc(C)cc([C@H](C)NC(=O)N[C@H](C(=O)[O-])c2cccs2)c1 ZINC000515118176 939240081 /nfs/dbraw/zinc/24/00/81/939240081.db2.gz CTWCCLSDNMSWGP-WFASDCNBSA-N -1 0 332.425 3.551 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)cc1F ZINC000517116993 939247532 /nfs/dbraw/zinc/24/75/32/939247532.db2.gz BTEOOTKVKWNAEO-OAHLLOKOSA-N -1 0 334.322 3.529 20 0 EHADRM C[C@](NC(=O)C=C1CCC1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000864146047 939251791 /nfs/dbraw/zinc/25/17/91/939251791.db2.gz QEDVQPDHTRVIEB-OAHLLOKOSA-N -1 0 328.195 3.520 20 0 EHADRM CC[C@](NC(=O)Nc1ccc(OC)cc1C)(C(=O)[O-])c1ccccc1 ZINC000900328917 939274712 /nfs/dbraw/zinc/27/47/12/939274712.db2.gz XUYYFTZNMLBTCB-LJQANCHMSA-N -1 0 342.395 3.515 20 0 EHADRM Cc1c(CSC(C)C)cccc1NC(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000900335496 939275854 /nfs/dbraw/zinc/27/58/54/939275854.db2.gz FRPVRBHLQKTLKP-OAHLLOKOSA-N -1 0 336.457 3.621 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1ccc(F)cc1)c1ccc2ccccc2c1 ZINC000555760048 939302144 /nfs/dbraw/zinc/30/21/44/939302144.db2.gz HLPRZAOENQFUTI-KRWDZBQOSA-N -1 0 338.338 3.926 20 0 EHADRM Cc1cc([C@@H](NC(=O)Nc2cccc(Cl)c2)C(=O)[O-])ccc1F ZINC000555760404 939302287 /nfs/dbraw/zinc/30/22/87/939302287.db2.gz UHODDVINQHPGEO-CQSZACIVSA-N -1 0 336.750 3.735 20 0 EHADRM Cc1cc(C)cc(NC(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)c1 ZINC000555769664 939302316 /nfs/dbraw/zinc/30/23/16/939302316.db2.gz WDXZEEMSWXNTLP-KRWDZBQOSA-N -1 0 326.396 3.868 20 0 EHADRM CSc1ccc(NC(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1 ZINC000562433461 939328517 /nfs/dbraw/zinc/32/85/17/939328517.db2.gz BLRRGVQXRDXKIX-INIZCTEOSA-N -1 0 344.436 3.973 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2ccc(-c3nccs3)cc2)CCCCC1 ZINC000562464198 939334499 /nfs/dbraw/zinc/33/44/99/939334499.db2.gz WQHYCYSPINLODO-UHFFFAOYSA-N -1 0 345.424 3.719 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1ccc(SC2CCCC2)cc1)C1CC1 ZINC000563852728 939341685 /nfs/dbraw/zinc/34/16/85/939341685.db2.gz MKMQLDVQRUUMPY-HNNXBMFYSA-N -1 0 334.441 3.706 20 0 EHADRM CC(C)[C@@H](CNC(=O)N[C@@H](C(=O)[O-])c1ccsc1)c1ccccc1 ZINC000565407393 939348917 /nfs/dbraw/zinc/34/89/17/939348917.db2.gz ZOLFVPWKEVZDBW-HZPDHXFCSA-N -1 0 346.452 3.613 20 0 EHADRM Cc1cc([C@@H](NC(=O)CCCc2ccc(F)cc2)C(=O)[O-])ccc1F ZINC000566484246 939354565 /nfs/dbraw/zinc/35/45/65/939354565.db2.gz QXMCYUOABVLFRM-GOSISDBHSA-N -1 0 347.361 3.538 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)N[C@@H](C(=O)[O-])c1ccsc1 ZINC000572857103 939403118 /nfs/dbraw/zinc/40/31/18/939403118.db2.gz NLRPZMZUEPMBCW-UONOGXRCSA-N -1 0 335.450 3.561 20 0 EHADRM CC[C@](NC(=O)CCCCSC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000909606536 939722661 /nfs/dbraw/zinc/72/26/61/939722661.db2.gz QFKZONPYCFLGTL-MRXNPFEDSA-N -1 0 343.876 3.679 20 0 EHADRM Cc1ccc([C@@H](NC(=O)Nc2ccc(Cl)cc2)C(=O)[O-])cc1C ZINC000575859090 939734699 /nfs/dbraw/zinc/73/46/99/939734699.db2.gz PGKZWXRSAHOMRY-OAHLLOKOSA-N -1 0 332.787 3.904 20 0 EHADRM CC1CCN(C(=O)N[C@@H](C(=O)[O-])c2c(Cl)cccc2Cl)CC1 ZINC000576901778 939742865 /nfs/dbraw/zinc/74/28/65/939742865.db2.gz PJUZMLPKCAIRGU-CYBMUJFWSA-N -1 0 345.226 3.561 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@@H]1CCCC12CC2)c1ccc(C(F)(F)F)cc1 ZINC000911061299 939768052 /nfs/dbraw/zinc/76/80/52/939768052.db2.gz JCIGGBPADQYJEY-QWHCGFSZSA-N -1 0 341.329 3.528 20 0 EHADRM CCC[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccccn1)c1cccc(Cl)c1 ZINC000911482674 939774144 /nfs/dbraw/zinc/77/41/44/939774144.db2.gz FLXIMTYIOCTSRO-GOEBONIOSA-N -1 0 346.814 3.561 20 0 EHADRM CCO[C@H]1C[C@@](NC(=O)Nc2ccccc2C(C)C)(C(=O)[O-])C1(C)C ZINC000581287886 939777005 /nfs/dbraw/zinc/77/70/05/939777005.db2.gz SLKGMQDPTLXGHD-HNAYVOBHSA-N -1 0 348.443 3.590 20 0 EHADRM CCOc1ccc(NC(=O)NC2(C(=O)[O-])CCCCC2)cc1Cl ZINC000581269951 939777037 /nfs/dbraw/zinc/77/70/37/939777037.db2.gz JHHBVHNERVTZPY-UHFFFAOYSA-N -1 0 340.807 3.648 20 0 EHADRM O=C([O-])[C@H](NC(=O)NCc1ccsc1)c1ccc2ccccc2c1 ZINC000581921455 939781062 /nfs/dbraw/zinc/78/10/62/939781062.db2.gz OFYCMVCWAAKITQ-MRXNPFEDSA-N -1 0 340.404 3.526 20 0 EHADRM Cc1ccc([C@H](NC(=O)Nc2ccc(F)c(C)c2)C(=O)[O-])cc1C ZINC000583181894 939789489 /nfs/dbraw/zinc/78/94/89/939789489.db2.gz NCPAEZGRKHLETB-INIZCTEOSA-N -1 0 330.359 3.698 20 0 EHADRM Cc1cc(C)cc([C@H](NC(=O)N[C@H](C)c2ccsc2)C(=O)[O-])c1 ZINC000929033712 939795266 /nfs/dbraw/zinc/79/52/66/939795266.db2.gz IICZUIVAXWPMSU-DOMZBBRYSA-N -1 0 332.425 3.551 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)N[C@H](C(=O)[O-])c2ccsc2)c(C)s1 ZINC000584506924 939798432 /nfs/dbraw/zinc/79/84/32/939798432.db2.gz BXXGMIKZVBTGGX-RNCFNFMXSA-N -1 0 338.454 3.613 20 0 EHADRM C[C@H](CC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1)C(F)(F)F ZINC000630162703 939813043 /nfs/dbraw/zinc/81/30/43/939813043.db2.gz OOUMMTUURCRNKZ-BMIGLBTASA-N -1 0 339.313 3.670 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)c2cccc(Cl)c2Cl)(C(=O)[O-])CC1 ZINC000659181421 939850178 /nfs/dbraw/zinc/85/01/78/939850178.db2.gz HEXGPNNHEMUVIP-AZKDTHOKSA-N -1 0 330.211 3.757 20 0 EHADRM Cc1c(COc2ccccc2)cccc1NC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC000663090984 939854164 /nfs/dbraw/zinc/85/41/64/939854164.db2.gz FLMFXBAPGFWUPB-SFHVURJKSA-N -1 0 339.391 3.623 20 0 EHADRM O=C([O-])[C@H](C(=O)NCc1ccccc1-c1ccc(Cl)cc1)C1CC1 ZINC000663101288 939854741 /nfs/dbraw/zinc/85/47/41/939854741.db2.gz FZLRHETVBRZLBX-KRWDZBQOSA-N -1 0 343.810 3.734 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1ccc(Oc2ccccn2)cc1)C1CCCC1 ZINC000663101551 939854755 /nfs/dbraw/zinc/85/47/55/939854755.db2.gz SPQZAQNQOZZKJA-KRWDZBQOSA-N -1 0 340.379 3.703 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000675979166 939864047 /nfs/dbraw/zinc/86/40/47/939864047.db2.gz CGTBUFSGTFNKOW-VLIAUNLRSA-N -1 0 343.398 3.511 20 0 EHADRM C[C@](NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl)(C(=O)[O-])c1ccccc1 ZINC000675982820 939866197 /nfs/dbraw/zinc/86/61/97/939866197.db2.gz RKZWNSTVTOWABM-QMTMVMCOSA-N -1 0 343.810 3.560 20 0 EHADRM CC[C@H](CC(=O)N[C@H](C(=O)[O-])c1ccccc1F)c1ccc(C)cc1 ZINC000678988870 939869473 /nfs/dbraw/zinc/86/94/73/939869473.db2.gz OWBLDJWYZZXXMO-KUHUBIRLSA-N -1 0 343.398 3.960 20 0 EHADRM C[C@@H](NC(=O)N[C@H](C(=O)[O-])C1CCCCC1)c1cc2ccccc2o1 ZINC000679539310 939869758 /nfs/dbraw/zinc/86/97/58/939869758.db2.gz BZBLJRHGCQTHFE-PXAZEXFGSA-N -1 0 344.411 3.827 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC000683920975 939871169 /nfs/dbraw/zinc/87/11/69/939871169.db2.gz KSYBJQSYXHXMRJ-AWEZNQCLSA-N -1 0 336.750 3.735 20 0 EHADRM Cc1cc(C)cc([C@@H](C)NC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000684730208 939873890 /nfs/dbraw/zinc/87/38/90/939873890.db2.gz ANTAQQPZADGSDM-CXAGYDPISA-N -1 0 344.386 3.629 20 0 EHADRM Cc1ccc(-c2nc(NC(=O)[C@H]3CC[C@H]3C(=O)[O-])sc2C)s1 ZINC001600316339 970797946 /nfs/dbraw/zinc/79/79/46/970797946.db2.gz ALTGRSXBXJODRM-VHSXEESVSA-N -1 0 336.438 3.538 20 0 EHADRM CC(C)C[C@H](CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(=O)[O-] ZINC000321731024 970802263 /nfs/dbraw/zinc/80/22/63/970802263.db2.gz OKEYUDPIHJWSFR-SECBINFHSA-N -1 0 334.294 3.772 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)NCc2ccccc2Cl)cc1F ZINC000321814521 970811805 /nfs/dbraw/zinc/81/18/05/970811805.db2.gz ZQOIABPJBDOOCP-UHFFFAOYSA-N -1 0 340.713 3.638 20 0 EHADRM Cc1cccc([C@@H](NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(C)(C)C)c1 ZINC001600516416 970821116 /nfs/dbraw/zinc/82/11/16/970821116.db2.gz LEJBOBQRLKWNDY-OWCLPIDISA-N -1 0 332.444 3.635 20 0 EHADRM O=C([O-])c1ccc(COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000321886811 970821771 /nfs/dbraw/zinc/82/17/71/970821771.db2.gz KROIDQOSIHEWCZ-UHFFFAOYSA-N -1 0 347.270 3.952 20 0 EHADRM Cc1cc(C(=O)[C@@H](C)S[C@H](C)C(=O)[O-])c(C)n1Cc1ccco1 ZINC001611128457 970903344 /nfs/dbraw/zinc/90/33/44/970903344.db2.gz LIIZQMFDMWHRAY-CHWSQXEVSA-N -1 0 335.425 3.524 20 0 EHADRM CSCc1ccc(C(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC000322726978 970922807 /nfs/dbraw/zinc/92/28/07/970922807.db2.gz SKVPLEYBGLLCSX-UHFFFAOYSA-N -1 0 329.421 3.819 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cnc(Cl)c2ccccc12)c1cccs1 ZINC000322749676 970926064 /nfs/dbraw/zinc/92/60/64/970926064.db2.gz BWCKEYXJYPLBKA-CYBMUJFWSA-N -1 0 346.795 3.505 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000323270197 970984443 /nfs/dbraw/zinc/98/44/43/970984443.db2.gz IVOSGJTVCBUIRI-UHFFFAOYSA-N -1 0 343.326 3.955 20 0 EHADRM O=C([O-])c1ccc(Cl)cc1NC(=O)N1CC=C(C(F)(F)F)CC1 ZINC000323294630 970985944 /nfs/dbraw/zinc/98/59/44/970985944.db2.gz OSIKWKMTLVGLAS-UHFFFAOYSA-N -1 0 348.708 3.765 20 0 EHADRM O=C([O-])c1cc(NC(=O)NCCCC2CCCC2)c(F)cc1F ZINC000323290671 970986259 /nfs/dbraw/zinc/98/62/59/970986259.db2.gz PMSRPFZMEZNCRZ-UHFFFAOYSA-N -1 0 326.343 3.755 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)c2coc(C3CCC3)n2)c1Cl ZINC001601604406 971029075 /nfs/dbraw/zinc/02/90/75/971029075.db2.gz SMIPOPMXUJAVBW-UHFFFAOYSA-N -1 0 338.722 3.685 20 0 EHADRM CC[C@@H]1CCCCCN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000323960749 971067548 /nfs/dbraw/zinc/06/75/48/971067548.db2.gz GNDKLKNZASNZSU-SNVBAGLBSA-N -1 0 326.343 3.850 20 0 EHADRM C[C@H](c1cccs1)N(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000323972797 971069380 /nfs/dbraw/zinc/06/93/80/971069380.db2.gz IRONBAHHQVCZPE-MRVPVSSYSA-N -1 0 340.351 3.949 20 0 EHADRM Cc1ccc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)c(Cl)c1 ZINC000324067876 971079905 /nfs/dbraw/zinc/07/99/05/971079905.db2.gz DYZLRBIEHCROAP-MRXNPFEDSA-N -1 0 331.799 3.984 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)CCc2ccccc2Cl)c1F ZINC000324153451 971090555 /nfs/dbraw/zinc/09/05/55/971090555.db2.gz YRZWFLZJNHYEKU-UHFFFAOYSA-N -1 0 339.725 3.888 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CC[C@H]3CCCC[C@H]3C2)c(F)cc1F ZINC000324655088 971144062 /nfs/dbraw/zinc/14/40/62/971144062.db2.gz CVMQCPZRQZPDTJ-MNOVXSKESA-N -1 0 338.354 3.707 20 0 EHADRM Cc1cccc(OCCCC(=O)Nc2cccc(C(=O)[O-])c2C)c1 ZINC000324840019 971161737 /nfs/dbraw/zinc/16/17/37/971161737.db2.gz CRJUCQICKUSOEH-UHFFFAOYSA-N -1 0 327.380 3.799 20 0 EHADRM C[C@H]1CCc2c(C(=O)NCCc3ccc(C(=O)[O-])cc3)csc2C1 ZINC000324923867 971169806 /nfs/dbraw/zinc/16/98/06/971169806.db2.gz VKJFNNIUHRZBRJ-LBPRGKRZSA-N -1 0 343.448 3.544 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000325004465 971175316 /nfs/dbraw/zinc/17/53/16/971175316.db2.gz ALMZGIQQCUROHG-GFCCVEGCSA-N -1 0 346.452 3.503 20 0 EHADRM Cc1cc(C)c(NC(=O)NCc2ccccc2CC(=O)[O-])c(C)c1 ZINC000325197649 971192645 /nfs/dbraw/zinc/19/26/45/971192645.db2.gz GVBZHLMGIMIEEF-UHFFFAOYSA-N -1 0 326.396 3.561 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)c2cc3ccc(F)cc3s2)c1 ZINC000325219434 971193411 /nfs/dbraw/zinc/19/34/11/971193411.db2.gz PWQZGEPXDDOLAT-UHFFFAOYSA-N -1 0 343.379 3.711 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)Nc1ccc(Cl)cc1F)CC2 ZINC000325292491 971202421 /nfs/dbraw/zinc/20/24/21/971202421.db2.gz XMTPULIWRGILJS-UHFFFAOYSA-N -1 0 348.761 3.768 20 0 EHADRM Cc1cc(C)cc(N(C)C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)c1 ZINC000325498399 971221212 /nfs/dbraw/zinc/22/12/12/971221212.db2.gz ZTDYPQZTWYNSKQ-UHFFFAOYSA-N -1 0 334.322 3.948 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000325811665 971245320 /nfs/dbraw/zinc/24/53/20/971245320.db2.gz PUVWGKDMRIVKDM-QGZVFWFLSA-N -1 0 343.810 3.944 20 0 EHADRM O=C([O-])/C=C/c1ccc(N2CCc3ccc(F)cc32)c([N+](=O)[O-])c1 ZINC000326440956 971294209 /nfs/dbraw/zinc/29/42/09/971294209.db2.gz ZJTICJWNSJWJAT-QHHAFSJGSA-N -1 0 328.299 3.526 20 0 EHADRM CN(C(=O)Cc1cccc2ccccc21)C1(C(=O)[O-])CCCCC1 ZINC000326552916 971302457 /nfs/dbraw/zinc/30/24/57/971302457.db2.gz OYVNHLFWYHTFTH-UHFFFAOYSA-N -1 0 325.408 3.628 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](c2nc([C@@H]3CSc4ccccc4O3)no2)C1 ZINC000326566824 971304159 /nfs/dbraw/zinc/30/41/59/971304159.db2.gz XQQAQAHNOXAKAX-LOWVWBTDSA-N -1 0 346.408 3.654 20 0 EHADRM CC(C)Oc1ccc(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])cc1 ZINC000326609293 971309742 /nfs/dbraw/zinc/30/97/42/971309742.db2.gz MQOJTLJMXIMKTP-QGZVFWFLSA-N -1 0 333.428 3.627 20 0 EHADRM Cc1cc(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)c2ccccc2n1 ZINC000326940301 971347931 /nfs/dbraw/zinc/34/79/31/971347931.db2.gz VUUITIIALUBMHX-UHFFFAOYSA-N -1 0 342.301 3.772 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2cccc(CCC(=O)[O-])c2)o1 ZINC000326948425 971348935 /nfs/dbraw/zinc/34/89/35/971348935.db2.gz IZTPNVJUSMDESM-GUYCJALGSA-N -1 0 341.407 3.992 20 0 EHADRM O=C([O-])[C@H]1CCN(Cc2coc(-c3ccccc3)n2)c2ccccc21 ZINC000326990859 971354462 /nfs/dbraw/zinc/35/44/62/971354462.db2.gz AWLZVEBPCHICQA-KRWDZBQOSA-N -1 0 334.375 3.920 20 0 EHADRM COc1ccc(NC(=O)c2cccc(OCC(C)C)c2)c(C(=O)[O-])c1 ZINC000327010320 971356793 /nfs/dbraw/zinc/35/67/93/971356793.db2.gz FWJVQBRRNIQSFJ-UHFFFAOYSA-N -1 0 343.379 3.681 20 0 EHADRM O=C([O-])c1ccccc1CCNC(=O)c1occc1-c1ccccc1 ZINC000327021009 971357835 /nfs/dbraw/zinc/35/78/35/971357835.db2.gz DNUCWYGUACGBAS-UHFFFAOYSA-N -1 0 335.359 3.617 20 0 EHADRM CC(C)CC1(CNC(=O)NCCc2ccc(C(=O)[O-])cc2)CCCC1 ZINC000327119827 971368447 /nfs/dbraw/zinc/36/84/47/971368447.db2.gz DUQZVSDSTFMULP-UHFFFAOYSA-N -1 0 346.471 3.833 20 0 EHADRM O=C([O-])CC1(NC(=O)c2ccc(Oc3ccccc3)cc2)CCCC1 ZINC000327186254 971374792 /nfs/dbraw/zinc/37/47/92/971374792.db2.gz CDFGUDDJHBMPDF-UHFFFAOYSA-N -1 0 339.391 3.996 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)Nc1ccccc1Oc1ccccc1 ZINC000327469444 971401110 /nfs/dbraw/zinc/40/11/10/971401110.db2.gz FXCLNYATCZPIKO-CABCVRRESA-N -1 0 340.379 3.854 20 0 EHADRM Cc1ccc(OCCC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])cc1C ZINC000327850944 971428479 /nfs/dbraw/zinc/42/84/79/971428479.db2.gz UJMKXACXZJTPOP-GOSISDBHSA-N -1 0 347.455 3.612 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)N[C@H]2CCCCC23CCCC3)cc1 ZINC000327846718 971428866 /nfs/dbraw/zinc/42/88/66/971428866.db2.gz QNYYSJUBPBZQBP-KRWDZBQOSA-N -1 0 344.455 3.730 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)Cc1ccc2c(c1)CCCC2 ZINC000327856583 971429787 /nfs/dbraw/zinc/42/97/87/971429787.db2.gz VOOMHIQCIPPSCG-LJQANCHMSA-N -1 0 343.467 3.648 20 0 EHADRM CCc1ccc(NC(=O)CCCOc2ccc(F)cc2)c(C(=O)[O-])c1 ZINC000328020168 971441484 /nfs/dbraw/zinc/44/14/84/971441484.db2.gz MWRFQYNTCVZEBI-UHFFFAOYSA-N -1 0 345.370 3.884 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)CCc1c[nH]c2ccccc12 ZINC000328011485 971441558 /nfs/dbraw/zinc/44/15/58/971441558.db2.gz HPLPEWJCDHGUKH-GOSISDBHSA-N -1 0 342.439 3.640 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)CCCSc1ccc(Cl)cc1 ZINC000044615053 948898946 /nfs/dbraw/zinc/89/89/46/948898946.db2.gz ZUHAJASUXQRNRK-ZDUSSCGKSA-N -1 0 329.849 3.534 20 0 EHADRM Cc1ccc2c(CC(=O)Nc3ccc(CC(=O)[O-])cc3)coc2c1C ZINC000342867127 971518575 /nfs/dbraw/zinc/51/85/75/971518575.db2.gz PMEAAEDVTOAWNS-UHFFFAOYSA-N -1 0 337.375 3.858 20 0 EHADRM Cc1oc(CNC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)cc1C(=O)[O-] ZINC000345881573 971520056 /nfs/dbraw/zinc/52/00/56/971520056.db2.gz ZMKMZFGQCYDTQF-RTBURBONSA-N -1 0 349.386 3.859 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1ccc3sccc3c1)CC2 ZINC000347398616 971525343 /nfs/dbraw/zinc/52/53/43/971525343.db2.gz UOLKWYQWBPKRTP-UHFFFAOYSA-N -1 0 337.400 3.798 20 0 EHADRM C[C@H](NC(=O)CC1(CC(=O)[O-])CCCC1)c1cccc(F)c1F ZINC000346329928 971521043 /nfs/dbraw/zinc/52/10/43/971521043.db2.gz WZBJBNWPCNQKLM-NSHDSACASA-N -1 0 325.355 3.567 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)Cn2ccc3ccc(Cl)cc32)cc1 ZINC000347145264 971522224 /nfs/dbraw/zinc/52/22/24/971522224.db2.gz YPVXQUSZAHPFDU-UHFFFAOYSA-N -1 0 342.782 3.561 20 0 EHADRM CCCC[C@@H](NC(=O)CCCC(=O)c1c(C)cc(C)cc1C)C(=O)[O-] ZINC000347264298 971522924 /nfs/dbraw/zinc/52/29/24/971522924.db2.gz SSUAVHSXTMMZHO-MRXNPFEDSA-N -1 0 347.455 3.724 20 0 EHADRM CCCC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000347268294 971523085 /nfs/dbraw/zinc/52/30/85/971523085.db2.gz PQDQKVZUFXPBQB-SQNIBIBYSA-N -1 0 325.408 3.703 20 0 EHADRM Cc1cc2cc(C(=O)N3Cc4ccccc4[C@H](C(=O)[O-])C3)oc2cc1C ZINC000347366278 971524779 /nfs/dbraw/zinc/52/47/79/971524779.db2.gz MDVRKZOBJVJINW-QGZVFWFLSA-N -1 0 349.386 3.874 20 0 EHADRM CC(C)c1cc(C(=O)Nc2ccc(CC(=O)[O-])cc2)nn1C(C)(C)C ZINC000347734251 971526389 /nfs/dbraw/zinc/52/63/89/971526389.db2.gz MNMLVPJKJPYDOB-UHFFFAOYSA-N -1 0 343.427 3.641 20 0 EHADRM Cc1nc2sc3c(c2c(NCc2ccc(C(=O)[O-])cc2)n1)CCC3 ZINC000347404763 971526438 /nfs/dbraw/zinc/52/64/38/971526438.db2.gz WVUCRHUJHATNDV-UHFFFAOYSA-N -1 0 339.420 3.799 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N[C@H](CC3CC3)C(=O)[O-])c(F)c2)cc1 ZINC000347501161 971526596 /nfs/dbraw/zinc/52/65/96/971526596.db2.gz QHYFAPVKKGRARH-GOSISDBHSA-N -1 0 341.382 3.784 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cc(-c2ccco2)on1 ZINC000349473217 971527687 /nfs/dbraw/zinc/52/76/87/971527687.db2.gz ZGKBIDXFQUEUGD-UHFFFAOYSA-N -1 0 326.308 3.502 20 0 EHADRM C[C@H](NC(=O)CC(C)(C)CC(=O)[O-])c1ccccc1C(F)(F)F ZINC000353853314 971528763 /nfs/dbraw/zinc/52/87/63/971528763.db2.gz FFPXOTKUGUPXAF-JTQLQIEISA-N -1 0 331.334 3.774 20 0 EHADRM O=C([O-])c1coc(C(=O)N(Cc2ccccc2)C2CCCCC2)c1 ZINC000352392898 971528968 /nfs/dbraw/zinc/52/89/68/971528968.db2.gz XIQYZGDVNAPVAN-UHFFFAOYSA-N -1 0 327.380 3.953 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1 ZINC000351531938 971529152 /nfs/dbraw/zinc/52/91/52/971529152.db2.gz FOZGBJGQWGLORS-ZDUSSCGKSA-N -1 0 331.334 3.522 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)CC1(CC(=O)[O-])CCCC1)C(C)C ZINC000360095464 971532510 /nfs/dbraw/zinc/53/25/10/971532510.db2.gz ATKUNLXBXZDMJH-QGZVFWFLSA-N -1 0 332.444 3.629 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)OC)Cc1cccc(C(=O)[O-])c1 ZINC001589584866 949036969 /nfs/dbraw/zinc/03/69/69/949036969.db2.gz CVFKGMXESCBGLQ-GOSISDBHSA-N -1 0 341.407 3.511 20 0 EHADRM C[C@H](NC(=O)c1cccc(C(=O)[O-])n1)c1cc(Cl)ccc1Cl ZINC000362497305 971534659 /nfs/dbraw/zinc/53/46/59/971534659.db2.gz IPHJDGCVLBQSMF-QMMMGPOBSA-N -1 0 339.178 3.578 20 0 EHADRM CC(=O)c1cccc(NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])c1 ZINC000362404092 971534838 /nfs/dbraw/zinc/53/48/38/971534838.db2.gz SFPNAUZYOUZGCK-GFCCVEGCSA-N -1 0 343.404 3.707 20 0 EHADRM CCc1ccc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])cc1 ZINC000362534453 971535866 /nfs/dbraw/zinc/53/58/66/971535866.db2.gz PYDXDHKZLRFZCR-OAHLLOKOSA-N -1 0 325.408 3.612 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)CCSc1ccccc1 ZINC000362595633 971536184 /nfs/dbraw/zinc/53/61/84/971536184.db2.gz FWAADFMFKIEFBJ-UHFFFAOYSA-N -1 0 345.420 3.579 20 0 EHADRM Cc1oc(CN(C)C(=O)c2[nH]c3ccccc3c2Cl)cc1C(=O)[O-] ZINC000362749479 971537525 /nfs/dbraw/zinc/53/75/25/971537525.db2.gz YTWZGMDQGVRGRS-UHFFFAOYSA-N -1 0 346.770 3.693 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1C ZINC000366654635 971546726 /nfs/dbraw/zinc/54/67/26/971546726.db2.gz PLROQAGXUCWZJD-BQFCYCMXSA-N -1 0 329.440 3.858 20 0 EHADRM CC(C)C[C@H](CNC(=O)N[C@@H](C)c1ccc(Cl)s1)C(=O)[O-] ZINC000094705490 949182430 /nfs/dbraw/zinc/18/24/30/949182430.db2.gz BGKFVJCNOXHOTQ-VHSXEESVSA-N -1 0 332.853 3.509 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCC(F)(F)c2ccc(Cl)cc2)cc1 ZINC001595221223 949254679 /nfs/dbraw/zinc/25/46/79/949254679.db2.gz ZWERGDAPVXKCTD-UHFFFAOYSA-N -1 0 339.725 3.560 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2C[C@@H]3CCCC[C@]32c2ccccc2)C1 ZINC000378526480 971567487 /nfs/dbraw/zinc/56/74/87/971567487.db2.gz OGGKMXYHIIRDRF-HPNQWNLUSA-N -1 0 341.451 3.805 20 0 EHADRM CC[C@]1(C)Oc2ccc(NC(=O)c3cccc(C(=O)[O-])c3)cc2O1 ZINC001589610719 949319223 /nfs/dbraw/zinc/31/92/23/949319223.db2.gz KJYSRPLGADUARJ-GOSISDBHSA-N -1 0 327.336 3.535 20 0 EHADRM CCC1(CC)CCN(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1 ZINC001589612124 949328998 /nfs/dbraw/zinc/32/89/98/949328998.db2.gz FZOMQDGJCBQCKS-SOUVJXGZSA-N -1 0 338.492 3.734 20 0 EHADRM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])nc1 ZINC000190626236 949501741 /nfs/dbraw/zinc/50/17/41/949501741.db2.gz WRGLYBCHHAHMHS-FUHWJXTLSA-N -1 0 338.407 3.578 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N(Cc2ccc(F)cc2)C2CC2)c1 ZINC001595248547 949527113 /nfs/dbraw/zinc/52/71/13/949527113.db2.gz CWGUDFYCAPULCF-UHFFFAOYSA-N -1 0 328.343 3.720 20 0 EHADRM CCCCOC(=O)c1ccc(NC(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC001589653010 949793335 /nfs/dbraw/zinc/79/33/35/949793335.db2.gz QUDQHVOTSJWDCJ-UHFFFAOYSA-N -1 0 341.363 3.594 20 0 EHADRM O=C([O-])c1cncc(NC(=O)N2CCCC[C@H]2c2ccccc2)c1 ZINC001595271561 949832222 /nfs/dbraw/zinc/83/22/22/949832222.db2.gz UXZNJHMQIHVCGU-INIZCTEOSA-N -1 0 325.368 3.539 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)c1cccc(-c2c(F)cccc2F)c1 ZINC001589666129 949895039 /nfs/dbraw/zinc/89/50/39/949895039.db2.gz ODIGQGOIKQDNDD-UHFFFAOYSA-N -1 0 333.334 3.569 20 0 EHADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC000379252684 971623714 /nfs/dbraw/zinc/62/37/14/971623714.db2.gz CVZRJAJAIOGIPB-JMSVASOKSA-N -1 0 338.835 3.686 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)NCc1ccccc1-c1ccc(Cl)cc1 ZINC000262081707 950060938 /nfs/dbraw/zinc/06/09/38/950060938.db2.gz KUEGXVOGKIRFKN-IAGOWNOFSA-N -1 0 343.810 3.734 20 0 EHADRM Cc1ccc(SCC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c(C)c1 ZINC000262104312 950065788 /nfs/dbraw/zinc/06/57/88/950065788.db2.gz CZCRCPFRACBFSE-OAHLLOKOSA-N -1 0 335.469 3.641 20 0 EHADRM CCCN(CCc1cccc(F)c1)C(=O)Cc1ccccc1C(=O)[O-] ZINC000262111068 950066528 /nfs/dbraw/zinc/06/65/28/950066528.db2.gz INLLUOMYBGRBJC-UHFFFAOYSA-N -1 0 343.398 3.548 20 0 EHADRM CCCc1cc(C(=O)Nc2nc3ccccn3c2C(=O)[O-])sc1C ZINC001589688856 950097183 /nfs/dbraw/zinc/09/71/83/950097183.db2.gz CYMFYKSGKRSYAU-UHFFFAOYSA-N -1 0 343.408 3.607 20 0 EHADRM CCN(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@H](C)C(=O)[O-] ZINC001589703048 950245204 /nfs/dbraw/zinc/24/52/04/950245204.db2.gz KULGUFFPOMVUIK-SSDOTTSWSA-N -1 0 338.713 3.686 20 0 EHADRM Cc1oc2ccc(NC(=O)N3C[C@@H](C)C[C@H](C(=O)[O-])C3)cc2c1C ZINC000263195930 950320017 /nfs/dbraw/zinc/32/00/17/950320017.db2.gz WMHBWSDAWFDKBO-GWCFXTLKSA-N -1 0 330.384 3.624 20 0 EHADRM CCN(C(=O)c1ccc(Oc2ccc(F)cc2)cc1)[C@H](C)C(=O)[O-] ZINC001589711545 950336199 /nfs/dbraw/zinc/33/61/99/950336199.db2.gz YJABXHQLSDHAKR-GFCCVEGCSA-N -1 0 331.343 3.553 20 0 EHADRM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cc(C)cc(C(=O)[O-])c2)s1 ZINC000263355098 950397053 /nfs/dbraw/zinc/39/70/53/950397053.db2.gz WREJUNXUKVIOPO-LLVKDONJSA-N -1 0 332.425 3.600 20 0 EHADRM C[C@H](C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1ccc2ccccc2c1 ZINC000263365173 950405781 /nfs/dbraw/zinc/40/57/81/950405781.db2.gz SYFDEABJJFDQNV-GLJUWKHASA-N -1 0 325.408 3.513 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000263428667 950458534 /nfs/dbraw/zinc/45/85/34/950458534.db2.gz KGVUWFQXAUDODN-KRWDZBQOSA-N -1 0 333.384 3.634 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2ccc(Cl)cc2F)C1 ZINC000316058193 950867683 /nfs/dbraw/zinc/86/76/83/950867683.db2.gz JVOKLISDXSCYGA-HNNXBMFYSA-N -1 0 328.771 3.588 20 0 EHADRM CCOC(=O)[C@]12CCC[C@@H]1C[C@H](Nc1cccc(CCC(=O)[O-])c1)C2 ZINC001590180393 950876623 /nfs/dbraw/zinc/87/66/23/950876623.db2.gz ZYGXTEFUOGVUAR-SYNHAJSKSA-N -1 0 345.439 3.628 20 0 EHADRM O=C([O-])CC1(C(=O)NC2CCC(c3ccc(F)cc3)CC2)CCC1 ZINC001594972947 950878548 /nfs/dbraw/zinc/87/85/48/950878548.db2.gz COLXTGIGLIFIRZ-UHFFFAOYSA-N -1 0 333.403 3.613 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2ccc(Cl)nc2Cl)c1 ZINC000318521254 950927094 /nfs/dbraw/zinc/92/70/94/950927094.db2.gz RLVYBYPPTHJWSG-UHFFFAOYSA-N -1 0 339.178 3.658 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1Cl ZINC000320558194 950992792 /nfs/dbraw/zinc/99/27/92/950992792.db2.gz RHUPGYPJAKPVPP-OLZOCXBDSA-N -1 0 338.835 3.687 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1c1nc2cccc(OC(F)F)c2s1 ZINC001594987001 951019189 /nfs/dbraw/zinc/01/91/89/951019189.db2.gz KMBFRPCCUYVJLE-SECBINFHSA-N -1 0 342.367 3.731 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)[C@@]1(C)CCc2ccccc2C1)C(=O)[O-] ZINC001602859437 971710919 /nfs/dbraw/zinc/71/09/19/971710919.db2.gz LDHAPQQUBWOKBT-UZLBHIALSA-N -1 0 331.456 3.577 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)[C@]1(C)CCc2ccccc2C1)C(=O)[O-] ZINC001602859436 971710988 /nfs/dbraw/zinc/71/09/88/971710988.db2.gz LDHAPQQUBWOKBT-OXQOHEQNSA-N -1 0 331.456 3.577 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)NCCC(=O)[O-])c1ccc(Cl)cc1 ZINC001602859481 971711098 /nfs/dbraw/zinc/71/10/98/971711098.db2.gz MFAPWQHEAOPBKW-CYBMUJFWSA-N -1 0 326.824 3.591 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2ccc(OC(C)C)cc2)C1 ZINC000324944716 951077889 /nfs/dbraw/zinc/07/78/89/951077889.db2.gz YQQUBPHKIKKBLT-GOSISDBHSA-N -1 0 334.416 3.583 20 0 EHADRM Cc1[nH]c2ccc(C(=O)NC3(CC(=O)[O-])CCCCC3)cc2c1C ZINC000325795890 951092487 /nfs/dbraw/zinc/09/24/87/951092487.db2.gz OKKOGUSIBPGHGK-UHFFFAOYSA-N -1 0 328.412 3.692 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)Cc2c[nH]c3cc(F)ccc23)c1 ZINC000344017379 951131222 /nfs/dbraw/zinc/13/12/22/951131222.db2.gz TUZNKKHIHGYAML-UHFFFAOYSA-N -1 0 340.354 3.505 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)NCc1ccc(Cl)cc1Cl ZINC000347391618 951132993 /nfs/dbraw/zinc/13/29/93/951132993.db2.gz SGFSOGMMFKOXHE-UHFFFAOYSA-N -1 0 338.190 3.551 20 0 EHADRM O=C([O-])COc1cccc(C(=O)Nc2ccc3c4c(cccc42)CC3)c1 ZINC000345777450 951134020 /nfs/dbraw/zinc/13/40/20/951134020.db2.gz LNRIJKXVEYNHBT-UHFFFAOYSA-N -1 0 347.370 3.654 20 0 EHADRM CC(C)[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccc(Cl)cc1 ZINC000349499509 951134084 /nfs/dbraw/zinc/13/40/84/951134084.db2.gz KVEHKMBSEIUQOM-HNNXBMFYSA-N -1 0 332.787 3.560 20 0 EHADRM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccc(C(=O)[O-])cc1)[C@@H]2C ZINC000357419754 951134953 /nfs/dbraw/zinc/13/49/53/951134953.db2.gz LRBGNLRZVNRFMC-CHWSQXEVSA-N -1 0 339.391 3.541 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)c2cc3c(ccc4ccccc34)[nH]2)CC1 ZINC000365387595 951142421 /nfs/dbraw/zinc/14/24/21/951142421.db2.gz ZXGYSCZTMOXROG-UHFFFAOYSA-N -1 0 336.391 3.648 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)c1cccc2cccc(O)c21)C(=O)[O-] ZINC001602861408 971720450 /nfs/dbraw/zinc/72/04/50/971720450.db2.gz WDUQZMDEOOTIFZ-AWEZNQCLSA-N -1 0 329.396 3.555 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)N[C@H](C2CCC2)C2CCCC2)C1 ZINC001595012888 951271558 /nfs/dbraw/zinc/27/15/58/951271558.db2.gz LWVXZYLKUVRGNQ-KDOFPFPSSA-N -1 0 336.476 3.632 20 0 EHADRM CCON(Cc1ccccc1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001591997791 951271966 /nfs/dbraw/zinc/27/19/66/951271966.db2.gz QWBHQVNEDKQETJ-UHFFFAOYSA-N -1 0 342.395 3.689 20 0 EHADRM CCOc1c(Cl)cc(NC(=O)NC[C@@H](CC)C(=O)[O-])cc1Cl ZINC001592009132 951290254 /nfs/dbraw/zinc/29/02/54/951290254.db2.gz HUOZZPGWAXILAZ-MRVPVSSYSA-N -1 0 349.214 3.624 20 0 EHADRM O=C([O-])CCCC(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 ZINC001595027758 951355092 /nfs/dbraw/zinc/35/50/92/951355092.db2.gz JWJXFIITBOEXKB-SFHVURJKSA-N -1 0 347.798 3.615 20 0 EHADRM Cc1cc(NC(=O)Nc2ccc3c(c2)CCCO3)ccc1C(=O)[O-] ZINC000394979111 951461665 /nfs/dbraw/zinc/46/16/65/951461665.db2.gz ZOYYJYAUXIAMSV-UHFFFAOYSA-N -1 0 326.352 3.662 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000397075047 951515460 /nfs/dbraw/zinc/51/54/60/951515460.db2.gz DPCXLTWMKRVIGW-GHMZBOCLSA-N -1 0 344.333 3.731 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000397075049 951515993 /nfs/dbraw/zinc/51/59/93/951515993.db2.gz DPCXLTWMKRVIGW-QWRGUYRKSA-N -1 0 344.333 3.731 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000397110301 951526954 /nfs/dbraw/zinc/52/69/54/951526954.db2.gz REHQHAODTWMRBA-RKDXNWHRSA-N -1 0 348.296 3.562 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC[C@@H]1CCCCC1(F)F ZINC000381643074 971768035 /nfs/dbraw/zinc/76/80/35/971768035.db2.gz XGKSMWDHPIRYJT-CFNZNRNTSA-N -1 0 326.339 3.997 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CCC(C3CCCCC3)CC2)ccn1 ZINC001595209042 952354176 /nfs/dbraw/zinc/35/41/76/952354176.db2.gz VUOKLTBPMUNSOU-UHFFFAOYSA-N -1 0 331.416 3.604 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccc(OC(=O)CCCCC(=O)[O-])cc1 ZINC001602910888 971855082 /nfs/dbraw/zinc/85/50/82/971855082.db2.gz BDWALBKXNLVBLO-UHFFFAOYSA-N -1 0 337.372 3.584 20 0 EHADRM Cc1ccoc1C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000383529776 971873869 /nfs/dbraw/zinc/87/38/69/971873869.db2.gz APRDNXPCWXADHC-UHFFFAOYSA-N -1 0 338.157 3.609 20 0 EHADRM CC(C)(C)Oc1ccc(CCNC(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC001602917472 971876694 /nfs/dbraw/zinc/87/66/94/971876694.db2.gz XVTWNQOKOJICIX-UHFFFAOYSA-N -1 0 341.407 3.535 20 0 EHADRM CC(C)(C)c1ccc(CCNC(=O)C2(C(=O)[O-])CCCCC2)cc1 ZINC001602922822 971881834 /nfs/dbraw/zinc/88/18/34/971881834.db2.gz HNRVQFKCCYMAKU-UHFFFAOYSA-N -1 0 331.456 3.678 20 0 EHADRM CCSCc1ccccc1C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC001593597139 953380210 /nfs/dbraw/zinc/38/02/10/953380210.db2.gz DJNWDGBXTQKRIB-UHFFFAOYSA-N -1 0 331.393 3.596 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CC[C@H](c3c(F)cccc3F)C2)c1 ZINC000414435008 953395786 /nfs/dbraw/zinc/39/57/86/953395786.db2.gz APYFTWRLEBWGCW-LBPRGKRZSA-N -1 0 345.345 3.601 20 0 EHADRM CC[C@@H](NC(=O)NCCCCCC(=O)[O-])c1cccc(Cl)c1 ZINC000414603479 953395971 /nfs/dbraw/zinc/39/59/71/953395971.db2.gz VVNDPSPNIVGIOK-CQSZACIVSA-N -1 0 326.824 3.735 20 0 EHADRM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)NCCCCCC(=O)[O-])o1 ZINC000414610713 953397682 /nfs/dbraw/zinc/39/76/82/953397682.db2.gz NNQWXLWPDJGUBE-UKRRQHHQSA-N -1 0 336.432 3.716 20 0 EHADRM O=C([O-])CCCCCNC(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000414621496 953400698 /nfs/dbraw/zinc/40/06/98/953400698.db2.gz FQGHOAQUXUWNJS-UHFFFAOYSA-N -1 0 338.835 3.659 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc(COC(C)(C)C)cc2)C1 ZINC001589271611 953412482 /nfs/dbraw/zinc/41/24/82/953412482.db2.gz JEGAIFMENGJGAO-UKRRQHHQSA-N -1 0 348.443 3.576 20 0 EHADRM CC(C)Cn1cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)c2ccccc21 ZINC000422580844 953423389 /nfs/dbraw/zinc/42/33/89/953423389.db2.gz NBHZCWSEVUHBET-HUUCEWRRSA-N -1 0 342.439 3.623 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cc3cc(C(C)(C)C)ccc3[nH]2)C1 ZINC001589274262 953444162 /nfs/dbraw/zinc/44/41/62/953444162.db2.gz BRVCRPVXPRROIF-TZMCWYRMSA-N -1 0 342.439 3.648 20 0 EHADRM C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC000424398568 953463746 /nfs/dbraw/zinc/46/37/46/953463746.db2.gz ANZQYTIFXVNAFT-GDBMZVCRSA-N -1 0 332.444 3.670 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)NC[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000424421009 953480168 /nfs/dbraw/zinc/48/01/68/953480168.db2.gz LEVCJCBIZCWQLU-IRXDYDNUSA-N -1 0 332.444 3.588 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1 ZINC000427737274 953497213 /nfs/dbraw/zinc/49/72/13/953497213.db2.gz RNXWKNUFHHGWBD-PXAZEXFGSA-N -1 0 347.411 3.639 20 0 EHADRM Cc1coc(-c2cccc(NC(=O)Cc3ccccc3C(=O)[O-])c2)n1 ZINC000432110793 953503178 /nfs/dbraw/zinc/50/31/78/953503178.db2.gz XROOWFJRNVRMRL-UHFFFAOYSA-N -1 0 336.347 3.529 20 0 EHADRM CC[C@H](NC(=O)CCCCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001593618812 953513247 /nfs/dbraw/zinc/51/32/47/953513247.db2.gz FEFGJGNFEHGTKM-ZDUSSCGKSA-N -1 0 332.227 3.686 20 0 EHADRM CC(C)(C)c1ccc2cc(C(=O)NC3(CC(=O)[O-])CCC3)[nH]c2c1 ZINC000486060948 953531682 /nfs/dbraw/zinc/53/16/82/953531682.db2.gz BSBGVBUDTRNHAN-UHFFFAOYSA-N -1 0 328.412 3.593 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)N(CC(=O)[O-])CC(C)(C)C)c1 ZINC001602959152 971941056 /nfs/dbraw/zinc/94/10/56/971941056.db2.gz RYWUXNCILJFYDT-UHFFFAOYSA-N -1 0 333.428 3.605 20 0 EHADRM CCc1ccc(C(C)(C)CNC(=O)NCC(CC)(CC)C(=O)[O-])cc1 ZINC001593635282 953606125 /nfs/dbraw/zinc/60/61/25/953606125.db2.gz JWUCSCOYSIWPTB-UHFFFAOYSA-N -1 0 348.487 3.717 20 0 EHADRM CCc1ccc([C@H](NC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)C(C)C)cc1 ZINC001593636931 953612755 /nfs/dbraw/zinc/61/27/55/953612755.db2.gz JKZOCWXMCDFBOY-FHLIZLRMSA-N -1 0 346.471 3.698 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC001589294171 953628459 /nfs/dbraw/zinc/62/84/59/953628459.db2.gz FULRZVFATMIKNF-IAQYHMDHSA-N -1 0 343.358 3.534 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])o1 ZINC001589295239 953640115 /nfs/dbraw/zinc/64/01/15/953640115.db2.gz FFAZCXLRPGNLBQ-SNPRPXQTSA-N -1 0 335.444 3.731 20 0 EHADRM CCCn1ccc2ccc(NC(=O)N[C@H](CC(C)C)C(=O)[O-])cc21 ZINC000569188902 953648175 /nfs/dbraw/zinc/64/81/75/953648175.db2.gz JAWOTKBLKDWQDS-OAHLLOKOSA-N -1 0 331.416 3.672 20 0 EHADRM CCCc1ccc([C@H](NC(=O)[C@H](C)C(=O)[O-])c2cccs2)cc1 ZINC000569574394 953649768 /nfs/dbraw/zinc/64/97/68/953649768.db2.gz AZVWGMXRRMEKNT-LRDDRELGSA-N -1 0 331.437 3.627 20 0 EHADRM CCCc1ccc([C@@H](NC(=O)[C@@H](C)C(=O)[O-])c2cccs2)cc1 ZINC000569574395 953650321 /nfs/dbraw/zinc/65/03/21/953650321.db2.gz AZVWGMXRRMEKNT-MLGOLLRUSA-N -1 0 331.437 3.627 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)Nc1ccc(CCC(F)(F)F)cc1)C1CC1 ZINC000570658304 953658337 /nfs/dbraw/zinc/65/83/37/953658337.db2.gz ZJPBEDZCMYJJLD-SNVBAGLBSA-N -1 0 344.333 3.651 20 0 EHADRM CC[C@H](NC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)c1ccc(Cl)s1 ZINC000571759556 953663444 /nfs/dbraw/zinc/66/34/44/953663444.db2.gz XHNHIESVQVSJEN-DCAQKATOSA-N -1 0 344.864 3.605 20 0 EHADRM CC(F)(F)c1cccc(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000577593140 953696279 /nfs/dbraw/zinc/69/62/79/953696279.db2.gz WDUBSISWXDVGIX-LLVKDONJSA-N -1 0 326.343 3.517 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1ccccc1C(C)(F)F ZINC001589302832 953701820 /nfs/dbraw/zinc/70/18/20/953701820.db2.gz BHWLVNWVOKUDST-WDEREUQCSA-N -1 0 326.343 3.515 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCC[C@H]2c2cccc3ccccc32)C1 ZINC001594793932 953702361 /nfs/dbraw/zinc/70/23/61/953702361.db2.gz YSERZWBVXFJBNI-DAYGRLMNSA-N -1 0 338.407 3.550 20 0 EHADRM O=C([O-])CC1(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CCC1 ZINC000580079770 953712741 /nfs/dbraw/zinc/71/27/41/953712741.db2.gz CJNSMSMNLOQQPZ-LBPRGKRZSA-N -1 0 339.844 3.638 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1csc(C2CCCCC2)n1 ZINC001589304215 953724546 /nfs/dbraw/zinc/72/45/46/953724546.db2.gz HHUQIYJYXBQOPX-DGCLKSJQSA-N -1 0 336.457 3.516 20 0 EHADRM O=C([O-])C1CCC(NC(=O)Nc2cc(C(F)F)ccc2F)CC1 ZINC001594802362 953750532 /nfs/dbraw/zinc/75/05/32/953750532.db2.gz VCRRXXJROKTSLM-UHFFFAOYSA-N -1 0 330.306 3.528 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccc(Cl)cc2-n2cccc2)C1 ZINC001594804454 953771515 /nfs/dbraw/zinc/77/15/15/953771515.db2.gz QUNXPLMBVQNCDT-NWDGAFQWSA-N -1 0 332.787 3.570 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)Nc2ccc3cc[nH]c3c2)c2ccccc21 ZINC001594806324 953781748 /nfs/dbraw/zinc/78/17/48/953781748.db2.gz GAFUSABNZOUYLY-WBVHZDCISA-N -1 0 335.363 3.603 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000619968123 953790683 /nfs/dbraw/zinc/79/06/83/953790683.db2.gz QVIBLICAXAWGJE-JTQLQIEISA-N -1 0 347.333 3.653 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCc1nc(C2(C(=O)[O-])CCC2)no1 ZINC001589310759 953793167 /nfs/dbraw/zinc/79/31/67/953793167.db2.gz ZLQVYZRHHOTZPH-HZSPNIEDSA-N -1 0 336.432 3.553 20 0 EHADRM C[C@@H]1CN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C)CC[C@@H]1C(=O)[O-] ZINC000626746317 953800845 /nfs/dbraw/zinc/80/08/45/953800845.db2.gz NQJIZTCMOJEJRJ-KBMXLJTQSA-N -1 0 332.444 3.526 20 0 EHADRM CC[C@H](NC(=O)N1CCC(C)(C(=O)[O-])CC1)c1cc(C)ccc1C ZINC000626778409 953820902 /nfs/dbraw/zinc/82/09/02/953820902.db2.gz KLSUDLQJWVDOPP-INIZCTEOSA-N -1 0 332.444 3.651 20 0 EHADRM C[C@@H]1CCCC[C@H]1CCNC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001589319514 953846143 /nfs/dbraw/zinc/84/61/43/953846143.db2.gz MHKQWPMSPXCHCV-RVKKMQEKSA-N -1 0 344.455 3.596 20 0 EHADRM C[C@H]1CCCN(C(=O)CCCCCc2ccc(F)cc2)[C@H]1C(=O)[O-] ZINC001589325231 953897932 /nfs/dbraw/zinc/89/79/32/953897932.db2.gz BHHOHCCEKXCKRE-KBXCAEBGSA-N -1 0 335.419 3.640 20 0 EHADRM Cc1ccc2cc(Cl)cc(C(=O)N3CCC(C)(C(=O)[O-])CC3)c2n1 ZINC000647764720 953978806 /nfs/dbraw/zinc/97/88/06/953978806.db2.gz QJTWBOLGKLBCJB-UHFFFAOYSA-N -1 0 346.814 3.524 20 0 EHADRM O=C([O-])[C@@H](C(=O)NCCc1ccc(C2CCCCC2)cc1)C1CC1 ZINC001594833432 954002002 /nfs/dbraw/zinc/00/20/02/954002002.db2.gz CVPKPFRXDDWXLQ-GOSISDBHSA-N -1 0 329.440 3.504 20 0 EHADRM O=C([O-])[C@H](C(=O)NCc1cccc(Cl)c1Cl)C1CCCC1 ZINC001594833874 954010904 /nfs/dbraw/zinc/01/09/04/954010904.db2.gz IOLJEOSILBVPFW-LBPRGKRZSA-N -1 0 330.211 3.501 20 0 EHADRM CC(C)C[C@H](CNC(=O)Cc1ccccc1C(F)(F)F)CC(=O)[O-] ZINC000652087536 954045385 /nfs/dbraw/zinc/04/53/85/954045385.db2.gz KGYPAHUCADUHFJ-LBPRGKRZSA-N -1 0 345.361 3.501 20 0 EHADRM CC(C)(C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1cccc(F)c1 ZINC000653335153 954167267 /nfs/dbraw/zinc/16/72/67/954167267.db2.gz MXPSGCIBWMFCQZ-DLBZAZTESA-N -1 0 341.382 3.533 20 0 EHADRM C[C@@H]1CCc2nc(NC(=O)C3(C(=O)[O-])CCCCCC3)sc2C1 ZINC001589363484 954168301 /nfs/dbraw/zinc/16/83/01/954168301.db2.gz IUFKRLBACNOTQZ-LLVKDONJSA-N -1 0 336.457 3.632 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)C2(c3ccccc3)CCC2)c2ccccc21 ZINC000653335853 954168469 /nfs/dbraw/zinc/16/84/69/954168469.db2.gz XWTUIXZAQFMVNL-ZWKOTPCHSA-N -1 0 335.403 3.538 20 0 EHADRM C[C@]1(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)CCCc2ccccc21 ZINC000653335415 954168600 /nfs/dbraw/zinc/16/86/00/954168600.db2.gz OWNUESCQTKWOGA-LZNRXBQRSA-N -1 0 349.430 3.710 20 0 EHADRM CCCn1ccc2ccc(NC(=O)NC[C@H](C(=O)[O-])C(C)C)cc21 ZINC000653539028 954187225 /nfs/dbraw/zinc/18/72/25/954187225.db2.gz PXHQETLTDUUKGH-HNNXBMFYSA-N -1 0 331.416 3.530 20 0 EHADRM O=C([O-])[C@@]1(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)CC=CCC1 ZINC001594852008 954203657 /nfs/dbraw/zinc/20/36/57/954203657.db2.gz OHHCLZZSSLLOPE-NYUBLWNDSA-N -1 0 339.435 3.735 20 0 EHADRM CC(C)[C@@H](CNC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000655570301 954209163 /nfs/dbraw/zinc/20/91/63/954209163.db2.gz ZTYSQVGABSRJTM-BXUZGUMPSA-N -1 0 345.361 3.672 20 0 EHADRM O=C([O-])C1(C(=O)NCCC2(c3ccccc3)CC2)CCCCCC1 ZINC001594858589 954256151 /nfs/dbraw/zinc/25/61/51/954256151.db2.gz KMUZLLHIUYKODK-UHFFFAOYSA-N -1 0 329.440 3.650 20 0 EHADRM C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655880551 954266093 /nfs/dbraw/zinc/26/60/93/954266093.db2.gz BPBIAEFLBQDOLV-JKSUJKDBSA-N -1 0 340.423 3.680 20 0 EHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)NC[C@H](C(=O)[O-])C(C)C)o1 ZINC000655894044 954275254 /nfs/dbraw/zinc/27/52/54/954275254.db2.gz UVSCMWDKUGCIHA-GJZGRUSLSA-N -1 0 336.432 3.572 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2cc(C3CCCCCC3)[nH]n2)CC=CCC1 ZINC001594869395 954335985 /nfs/dbraw/zinc/33/59/85/954335985.db2.gz RRPVESZTRVQDHX-SFHVURJKSA-N -1 0 331.416 3.597 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCC[C@@H]1c1ccsc1)CC(=O)[O-] ZINC000659419103 954344654 /nfs/dbraw/zinc/34/46/54/954344654.db2.gz WUXNKVLCJPGBDG-DZGCQCFKSA-N -1 0 338.473 3.732 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)CCC1 ZINC001594870421 954347478 /nfs/dbraw/zinc/34/74/78/954347478.db2.gz HJEPHOQUOGBODU-UHFFFAOYSA-N -1 0 346.770 3.721 20 0 EHADRM Cc1ccc(-c2cncc(C(=O)N(CC(=O)[O-])CC(C)(C)C)c2)cc1 ZINC000659781823 954372742 /nfs/dbraw/zinc/37/27/42/954372742.db2.gz LVIOWDOSEULVSA-UHFFFAOYSA-N -1 0 340.423 3.630 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc(Cl)cc3ccccc32)C[C@H]1C(=O)[O-] ZINC000663057173 954426608 /nfs/dbraw/zinc/42/66/08/954426608.db2.gz GKERFDLOPMBKBK-BDJLRTHQSA-N -1 0 331.799 3.676 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000663087707 954468225 /nfs/dbraw/zinc/46/82/25/954468225.db2.gz AZKNTXZVXKYHRP-HNNXBMFYSA-N -1 0 329.318 3.621 20 0 EHADRM O=C([O-])C1(C(=O)N(CCC(F)(F)F)CC2CC2)CCCCCC1 ZINC000663116644 954509735 /nfs/dbraw/zinc/50/97/35/954509735.db2.gz RTAXZUHSRWBGCF-UHFFFAOYSA-N -1 0 335.366 3.603 20 0 EHADRM C[C@H]1C[C@H]1[C@H]1C[C@H]1C(=O)Nc1sc2c(c1C(=O)[O-])C[C@@H](C)O[C@@H]2C ZINC001589412224 954526095 /nfs/dbraw/zinc/52/60/95/954526095.db2.gz XILBQCOPHADTQO-VQJPJQAJSA-N -1 0 349.452 3.699 20 0 EHADRM C[C@H](Cc1ccsc1)NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000385904796 972020981 /nfs/dbraw/zinc/02/09/81/972020981.db2.gz SYKPLFFXMJBTRZ-SECBINFHSA-N -1 0 338.816 3.852 20 0 EHADRM C[C@H]1Cc2cccc(F)c2N(CCOc2ccccc2C(=O)[O-])C1 ZINC001589413124 954534291 /nfs/dbraw/zinc/53/42/91/954534291.db2.gz PRYOHWZWCQXKKO-ZDUSSCGKSA-N -1 0 329.371 3.602 20 0 EHADRM O=C([O-])CCCCNC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000666513664 954547035 /nfs/dbraw/zinc/54/70/35/954547035.db2.gz NURUEODAMGWJJD-SFHVURJKSA-N -1 0 340.423 3.525 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000666523374 954549202 /nfs/dbraw/zinc/54/92/02/954549202.db2.gz YFGBHCGTVFYEIO-JKSUJKDBSA-N -1 0 346.471 3.639 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)c2cc(-c3ccccc3)on2)c2ccccc21 ZINC000669436184 954572287 /nfs/dbraw/zinc/57/22/87/954572287.db2.gz BSOHNAOULFODNF-HNNXBMFYSA-N -1 0 348.358 3.560 20 0 EHADRM O=C([O-])CCCCNC(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000669497129 954576985 /nfs/dbraw/zinc/57/69/85/954576985.db2.gz BMTUVNXVZSTMML-UHFFFAOYSA-N -1 0 333.413 3.550 20 0 EHADRM COc1ccc([C@H](NC(=O)CCCCC(=O)[O-])c2ccccc2)cc1 ZINC000674945754 954579747 /nfs/dbraw/zinc/57/97/47/954579747.db2.gz SJJBCBCMHNNAJB-HXUWFJFHSA-N -1 0 341.407 3.546 20 0 EHADRM CC/C(=C\C(=O)Nc1ccc(O)c(C(=O)[O-])c1)c1ccc(OC)cc1 ZINC001589420545 954598027 /nfs/dbraw/zinc/59/80/27/954598027.db2.gz WCEPXDIYLFWLSN-ZRDIBKRKSA-N -1 0 341.363 3.531 20 0 EHADRM CC(C)[C@@]1(C)C[C@@H]1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001602993286 972029986 /nfs/dbraw/zinc/02/99/86/972029986.db2.gz ILOGVCBWOWSCIB-ZUZCIYMTSA-N -1 0 328.771 3.733 20 0 EHADRM CC[C@H](C)Oc1ccc(NC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)cc1 ZINC001589463622 954877124 /nfs/dbraw/zinc/87/71/24/954877124.db2.gz GFYKYVKJBXCCCW-HZSPNIEDSA-N -1 0 334.416 3.581 20 0 EHADRM O=C([O-])c1ccc(SCC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000386400694 972051429 /nfs/dbraw/zinc/05/14/29/972051429.db2.gz LQGQPEHCBQEPHQ-UHFFFAOYSA-N -1 0 339.775 3.908 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@H](F)CC2CCCCC2)Cc2ccccc21 ZINC001594941598 954900799 /nfs/dbraw/zinc/90/07/99/954900799.db2.gz WCEQPNICHHXFKC-IAGOWNOFSA-N -1 0 333.403 3.506 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)[C@@H](F)CC2CCCCC2)Cc2ccccc21 ZINC001594941599 954901211 /nfs/dbraw/zinc/90/12/11/954901211.db2.gz WCEQPNICHHXFKC-IRXDYDNUSA-N -1 0 333.403 3.506 20 0 EHADRM CCC(CC)(CNC(=O)NCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC001589496365 955018185 /nfs/dbraw/zinc/01/81/85/955018185.db2.gz HWKJJONNXRWNRE-UHFFFAOYSA-N -1 0 347.242 3.684 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)N[C@H](CC2CC2)c2ccccc2)co1 ZINC001594964899 955041461 /nfs/dbraw/zinc/04/14/61/955041461.db2.gz BLFOATKASLXNBQ-KBOKABMXSA-N -1 0 325.364 3.649 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)Nc2cc(-n3cccc3)ccc2F)co1 ZINC001594968027 955075993 /nfs/dbraw/zinc/07/59/93/955075993.db2.gz IPMOUHOHQPPMQX-XQRVVYSFSA-N -1 0 340.310 3.560 20 0 EHADRM CC[C@H](CNC(=O)N1CCCCC[C@H]1c1cccc(C)c1)C(=O)[O-] ZINC001589528419 955136485 /nfs/dbraw/zinc/13/64/85/955136485.db2.gz JROQURNIHRRJKF-WBVHZDCISA-N -1 0 332.444 3.733 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)c2sccc2-c2ccc(F)cc2)C1 ZINC000769528898 955321082 /nfs/dbraw/zinc/32/10/82/955321082.db2.gz YFUNKBAJCAOIFE-GFCCVEGCSA-N -1 0 347.411 3.881 20 0 EHADRM O=C([O-])CCCCNC(=O)CCCOc1cccc(Cl)c1Cl ZINC000773221549 955324541 /nfs/dbraw/zinc/32/45/41/955324541.db2.gz QQVQVNOQYUOZCK-UHFFFAOYSA-N -1 0 348.226 3.524 20 0 EHADRM CC(C)C[C@@H](NC(=O)C1(Sc2ccccc2)CCCC1)C(=O)[O-] ZINC001603032385 972092925 /nfs/dbraw/zinc/09/29/25/972092925.db2.gz HSSGZANQAOZJKI-OAHLLOKOSA-N -1 0 335.469 3.707 20 0 EHADRM CCC(CC)(CNC(=O)N[C@@H](C)c1nc2ccccc2s1)C(=O)[O-] ZINC000818625832 955414528 /nfs/dbraw/zinc/41/45/28/955414528.db2.gz VPPOHSUWWNBQNL-NSHDSACASA-N -1 0 349.456 3.548 20 0 EHADRM CC(C)C[C@H](NC(=O)Nc1ccc2ccnc(Cl)c2c1)C(=O)[O-] ZINC001603047988 972111591 /nfs/dbraw/zinc/11/15/91/972111591.db2.gz IFKDLIDYTUVGGL-ZDUSSCGKSA-N -1 0 335.791 3.509 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC001589088304 955916977 /nfs/dbraw/zinc/91/69/77/955916977.db2.gz PDYJFYKIUWABDD-KRTXAFLBSA-N -1 0 336.190 3.667 20 0 EHADRM C[C@H](NC(=O)C1(C(=O)[O-])CCCCC1)c1nc(C(C)(C)C)cs1 ZINC001589089681 955924315 /nfs/dbraw/zinc/92/43/15/955924315.db2.gz JPMFDTMCHBZOGI-NSHDSACASA-N -1 0 338.473 3.653 20 0 EHADRM C[C@@H](NC(=O)C1(C(=O)[O-])CCCCC1)c1ccc(OC(F)F)cc1 ZINC001589089827 955925997 /nfs/dbraw/zinc/92/59/97/955925997.db2.gz KTWWHVLLTRCXDT-LLVKDONJSA-N -1 0 341.354 3.500 20 0 EHADRM C[C@@H]1CN(C(=O)/C=C/c2ccc(F)c3ccccc23)CC[C@@H]1C(=O)[O-] ZINC000864139143 955961746 /nfs/dbraw/zinc/96/17/46/955961746.db2.gz DULBHJZDQONPSM-GMTGPXDGSA-N -1 0 341.382 3.561 20 0 EHADRM C[C@@](Cc1ccccc1)(NC(=O)/C=C\c1ccc(C(=O)[O-])o1)C1CC1 ZINC000864153200 955970202 /nfs/dbraw/zinc/97/02/02/955970202.db2.gz AUKWUIFZQBDQPN-ZZLBYYGFSA-N -1 0 339.391 3.519 20 0 EHADRM Cn1nccc1-c1ccccc1CNc1cccc(CCC(=O)[O-])c1 ZINC001594587052 956009570 /nfs/dbraw/zinc/00/95/70/956009570.db2.gz DUCCRXCIGVRKQM-UHFFFAOYSA-N -1 0 335.407 3.716 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2sccc2C(F)F)Cc2ccccc21 ZINC000872717256 956060413 /nfs/dbraw/zinc/06/04/13/956060413.db2.gz GPGVFZLJTYLAII-GFCCVEGCSA-N -1 0 337.347 3.510 20 0 EHADRM C[C@@H](NC(=O)c1cccc(OC(C)(C)C)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589116943 956099323 /nfs/dbraw/zinc/09/93/23/956099323.db2.gz QNIPJPOTASJSDU-UHOFOFEASA-N -1 0 347.455 3.729 20 0 EHADRM C[C@@H](NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])c1cccc2ccccc21 ZINC000899855868 956291027 /nfs/dbraw/zinc/29/10/27/956291027.db2.gz LJEXPLASJJKCOQ-AGIUHOORSA-N -1 0 331.437 3.612 20 0 EHADRM CC(C)c1ccc(C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)C2)cc1 ZINC001603100596 972176839 /nfs/dbraw/zinc/17/68/39/972176839.db2.gz WBAWJGJRRWESKS-YTQUADARSA-N -1 0 343.467 3.702 20 0 EHADRM COc1ccc([C@@H](NC(=O)c2coc(/C=C\C(=O)[O-])c2)C(C)C)cc1 ZINC000901584636 956353630 /nfs/dbraw/zinc/35/36/30/956353630.db2.gz NLNWMNBUKFLWPY-GIFJBRJJSA-N -1 0 343.379 3.513 20 0 EHADRM CCN(C(=O)c1coc(/C=C\C(=O)[O-])c1)[C@@H](C)Cc1ccsc1 ZINC000901631325 956394810 /nfs/dbraw/zinc/39/48/10/956394810.db2.gz WURLBPUZKBMUSJ-RXNFCKPNSA-N -1 0 333.409 3.532 20 0 EHADRM CC(C)(CCc1ccccc1)NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC000901747536 956451635 /nfs/dbraw/zinc/45/16/35/956451635.db2.gz IJAOFWZJXIWQLK-HJWRWDBZSA-N -1 0 327.380 3.519 20 0 EHADRM CC(C)CN(CCc1ccccc1)C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC000901787447 956468117 /nfs/dbraw/zinc/46/81/17/956468117.db2.gz VWKBWOBGEINRAL-HJWRWDBZSA-N -1 0 341.407 3.718 20 0 EHADRM C[C@@H](c1ccc(COC(=O)C2(C(=O)[O-])CCC2)cc1)C(F)(F)F ZINC001589174499 956479173 /nfs/dbraw/zinc/47/91/73/956479173.db2.gz JQOKUWWIRTXGMI-JTQLQIEISA-N -1 0 330.302 3.651 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC001589188824 956583506 /nfs/dbraw/zinc/58/35/06/956583506.db2.gz ISFQQMPQVCGPLN-FQEVSTJZSA-N -1 0 340.423 3.516 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)Cc2ccc(C3CCCCC3)cc2)C1 ZINC001589191498 956596433 /nfs/dbraw/zinc/59/64/33/956596433.db2.gz CTUVGFFETHGHTN-HXUWFJFHSA-N -1 0 329.440 3.600 20 0 EHADRM O=C(/C=C/c1ccc2[nH]ccc2c1)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001594675207 956652499 /nfs/dbraw/zinc/65/24/99/956652499.db2.gz QLZQAKJNUULDDZ-ANKMQFCJSA-N -1 0 346.386 3.611 20 0 EHADRM O=C([O-])c1cccnc1NC(=O)CCCCCc1ccc(F)cc1 ZINC001594679654 956693049 /nfs/dbraw/zinc/69/30/49/956693049.db2.gz NMCACXRYWYJIPL-UHFFFAOYSA-N -1 0 330.359 3.661 20 0 EHADRM CC1(C)C[C@@H](C(=O)Nc2sccc2C(=O)[O-])c2ccccc2O1 ZINC001589212950 956710642 /nfs/dbraw/zinc/71/06/42/956710642.db2.gz AIOZJZLQWTYVQV-GFCCVEGCSA-N -1 0 331.393 3.730 20 0 EHADRM CC1(C)C[C@H](C(=O)NC2(CC(=O)[O-])CCCCC2)c2ccccc2O1 ZINC001589214473 956725754 /nfs/dbraw/zinc/72/57/54/956725754.db2.gz VSBGMRMFACNUFV-HNNXBMFYSA-N -1 0 345.439 3.625 20 0 EHADRM Cc1csc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)c1Cl ZINC000389165188 972209882 /nfs/dbraw/zinc/20/98/82/972209882.db2.gz URJKYXBWAUIUQN-LLVKDONJSA-N -1 0 335.812 3.929 20 0 EHADRM O=C([O-])c1ccc(F)c(CSc2nnc(-c3cccs3)o2)c1 ZINC000389166945 972210358 /nfs/dbraw/zinc/21/03/58/972210358.db2.gz MSUGFXPOAXSIEJ-UHFFFAOYSA-N -1 0 336.369 3.928 20 0 EHADRM CC1(C)CC[C@H](NC(=O)NCCCC(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001589224000 956780686 /nfs/dbraw/zinc/78/06/86/956780686.db2.gz GFLNIJYLDQIYAX-CVEARBPZSA-N -1 0 332.444 3.513 20 0 EHADRM O=C([O-])c1ccc(COC(=O)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC001594707001 956846720 /nfs/dbraw/zinc/84/67/20/956846720.db2.gz VWBKFCDRGICQTP-UHFFFAOYSA-N -1 0 338.281 3.690 20 0 EHADRM O=C([O-])c1ccc(CNc2ccc(O[C@H]3CCCC[C@@H]3O)cc2)s1 ZINC000903686276 956865770 /nfs/dbraw/zinc/86/57/70/956865770.db2.gz GSZJARRNGFSLCG-HOTGVXAUSA-N -1 0 347.436 3.741 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OCCOc1ccc(C)cc1 ZINC000011831219 956894010 /nfs/dbraw/zinc/89/40/10/956894010.db2.gz WUKCWAZKZJBYLF-UXBLZVDNSA-N -1 0 328.364 3.559 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OCCOc1ccccc1C ZINC000011861615 956895986 /nfs/dbraw/zinc/89/59/86/956895986.db2.gz BWIOSDCXUZOWCS-NTMALXAHSA-N -1 0 328.364 3.559 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OCCOc1ccccc1Cl ZINC000011886056 956896856 /nfs/dbraw/zinc/89/68/56/956896856.db2.gz LEHQPEPECRNNBS-CLFYSBASSA-N -1 0 348.782 3.904 20 0 EHADRM Cc1ccc(-c2nnc(SCc3cccc(C(=O)[O-])c3)n2C)cc1 ZINC000013061596 956920605 /nfs/dbraw/zinc/92/06/05/956920605.db2.gz FWDMMUXQTMGTFP-UHFFFAOYSA-N -1 0 339.420 3.781 20 0 EHADRM O=C([O-])c1cccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)c1 ZINC000013094881 956945239 /nfs/dbraw/zinc/94/52/39/956945239.db2.gz DSWMKEMVDTYXSI-UHFFFAOYSA-N -1 0 327.355 3.974 20 0 EHADRM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)[O-])cc1 ZINC000013187700 956972350 /nfs/dbraw/zinc/97/23/50/956972350.db2.gz GOINXGHWDCYTLT-LLVKDONJSA-N -1 0 333.771 3.753 20 0 EHADRM CN(Cc1ccc(Cl)cc1)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000013191835 956978601 /nfs/dbraw/zinc/97/86/01/956978601.db2.gz KUXWDEUSHJIRCE-WEVVVXLNSA-N -1 0 346.770 3.982 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)c2cc(O)c3ccccc3c2)c2ccccc21 ZINC001594726797 957012655 /nfs/dbraw/zinc/01/26/55/957012655.db2.gz OKMLLSKITFEZAQ-MSOLQXFVSA-N -1 0 347.370 3.588 20 0 EHADRM C[C@H](CC(=O)N1CCCC[C@@H]1CC(=O)[O-])c1c[nH]c2ccccc21 ZINC000909497344 957023980 /nfs/dbraw/zinc/02/39/80/957023980.db2.gz LJNXPXKORFJFBO-ZIAGYGMSSA-N -1 0 328.412 3.517 20 0 EHADRM O=C([O-])c1ccoc1CSc1nnc(-c2cccc(Cl)c2)o1 ZINC000013399946 957050464 /nfs/dbraw/zinc/05/04/64/957050464.db2.gz IJVKSQXWEAMTGC-UHFFFAOYSA-N -1 0 336.756 3.974 20 0 EHADRM CC[C@H](c1ccncc1)N(CC)C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC000911415894 957067076 /nfs/dbraw/zinc/06/70/76/957067076.db2.gz HFTLENJYUJPOFP-QGZVFWFLSA-N -1 0 326.396 3.702 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)NC[C@H]2CCCCC2(F)F)c1 ZINC000389682530 972239726 /nfs/dbraw/zinc/23/97/26/972239726.db2.gz HSXAMZMMILXXKB-SNVBAGLBSA-N -1 0 346.761 3.985 20 0 EHADRM Cc1cccc(CSCC(=O)N2CCc3cc(C(=O)[O-])ccc32)c1 ZINC000013447709 957086972 /nfs/dbraw/zinc/08/69/72/957086972.db2.gz GZEKHUAZFXHTSP-UHFFFAOYSA-N -1 0 341.432 3.516 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1cc(F)c(F)cc1N1CCCCC1 ZINC000911746071 957090872 /nfs/dbraw/zinc/09/08/72/957090872.db2.gz DUELKPPUHNZFJL-UHFFFAOYSA-N -1 0 340.370 3.539 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)c2ccsc2C(F)F)c2ccccc21 ZINC000923099814 957102616 /nfs/dbraw/zinc/10/26/16/957102616.db2.gz NUEHNYNIWGKQBS-NEPJUHHUSA-N -1 0 337.347 3.729 20 0 EHADRM O=C([O-])c1ccc(CSc2nc(-c3ccccc3)cc(=O)[nH]2)s1 ZINC000020395422 957142894 /nfs/dbraw/zinc/14/28/94/957142894.db2.gz LSZRTOOJEQKXHV-UHFFFAOYSA-N -1 0 344.417 3.901 20 0 EHADRM COc1ccc(Cl)cc1C(=O)Nc1cc(C)c(C(=O)[O-])s1 ZINC000021520648 957149760 /nfs/dbraw/zinc/14/97/60/957149760.db2.gz ZMXCHWRNYLQWMG-UHFFFAOYSA-N -1 0 325.773 3.669 20 0 EHADRM O=C([O-])c1ccc(CN2CCO[C@H](c3ccc(Cl)s3)C2)cc1 ZINC001118300492 957167186 /nfs/dbraw/zinc/16/71/86/957167186.db2.gz VEMKLUMPOKJQEB-ZDUSSCGKSA-N -1 0 337.828 3.673 20 0 EHADRM CC(C)(C(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC001319220695 957302443 /nfs/dbraw/zinc/30/24/43/957302443.db2.gz CQVFCKCWISRVLC-SNVBAGLBSA-N -1 0 344.238 3.594 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)NC[C@@H]1CCCCC1(F)F ZINC000390072417 972263967 /nfs/dbraw/zinc/26/39/67/972263967.db2.gz OIROMLSEQKBWRQ-LBPRGKRZSA-N -1 0 326.343 3.640 20 0 EHADRM Cc1cc(CN(C)Cc2csc(Br)c2)oc1C(=O)[O-] ZINC000042362937 957411729 /nfs/dbraw/zinc/41/17/29/957411729.db2.gz IESZEXREDLVJIZ-UHFFFAOYSA-N -1 0 344.230 3.742 20 0 EHADRM C[C@@](CNC(=O)/C(F)=C/C1CCCCC1)(C(=O)[O-])c1ccccc1 ZINC001603168104 972266831 /nfs/dbraw/zinc/26/68/31/972266831.db2.gz KUVSHHKVNVDHCH-UIRWJGRMSA-N -1 0 333.403 3.579 20 0 EHADRM O=C([O-])c1cc(COc2ccc3cc(Br)ccc3c2)on1 ZINC000048804789 957461139 /nfs/dbraw/zinc/46/11/39/957461139.db2.gz ZFOHPXDADVYWOO-UHFFFAOYSA-N -1 0 348.152 3.868 20 0 EHADRM O=C([O-])c1ccc(-c2nc(-c3ccccc3Br)no2)cc1 ZINC000061811222 957584200 /nfs/dbraw/zinc/58/42/00/957584200.db2.gz KEVUIKSZIQWJSY-UHFFFAOYSA-N -1 0 345.152 3.864 20 0 EHADRM O=C([O-])c1cccnc1SCc1nc(-c2ccc(Cl)cc2)no1 ZINC000390334130 972276741 /nfs/dbraw/zinc/27/67/41/972276741.db2.gz UFYQIPYJPJWGAI-UHFFFAOYSA-N -1 0 347.783 3.776 20 0 EHADRM Cc1ccccc1N(CCC(=O)[O-])C(=O)c1cc2c(s1)CCC2 ZINC000390348421 972277463 /nfs/dbraw/zinc/27/74/63/972277463.db2.gz YCDYRGNBYGJXBQ-UHFFFAOYSA-N -1 0 329.421 3.667 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)C1 ZINC000062118243 957599797 /nfs/dbraw/zinc/59/97/97/957599797.db2.gz PRWRYVBLNRHJOY-ZETCQYMHSA-N -1 0 344.219 3.755 20 0 EHADRM Cc1c(NC(=O)NCCc2ccc(Cl)cc2)cccc1C(=O)[O-] ZINC000390463790 972287046 /nfs/dbraw/zinc/28/70/46/972287046.db2.gz FPCGEEBYUZTAQG-UHFFFAOYSA-N -1 0 332.787 3.711 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c2ccc(F)cc2n1 ZINC001594277594 957724757 /nfs/dbraw/zinc/72/47/57/957724757.db2.gz DCNUIINHRBUHDJ-HNNXBMFYSA-N -1 0 346.402 3.692 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)O[C@@H]1CCC[C@@H]1Cc1cccc(Cl)c1 ZINC001574770105 957752997 /nfs/dbraw/zinc/75/29/97/957752997.db2.gz FAWOJQQPMUOADI-DTZQCDIJSA-N -1 0 336.815 3.705 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Oc2cccc(Br)c2)c1 ZINC001594289038 957807450 /nfs/dbraw/zinc/80/74/50/957807450.db2.gz IAKZKSFLJMCQFK-UHFFFAOYSA-N -1 0 335.153 3.675 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)O[C@H]2c3ccccc3OC[C@H]2C)c1 ZINC001594289693 957817715 /nfs/dbraw/zinc/81/77/15/957817715.db2.gz YFXQSYWCXCQLGJ-SJKOYZFVSA-N -1 0 326.348 3.620 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H](c2ccccc2F)C2CCCC2)nc1 ZINC001574796654 957823903 /nfs/dbraw/zinc/82/39/03/957823903.db2.gz SPUGOSVRCNJUQM-KRWDZBQOSA-N -1 0 342.370 3.580 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(OCc3ccccc3)nc2)cc1 ZINC001574796982 957827200 /nfs/dbraw/zinc/82/72/00/957827200.db2.gz WGRUUAVRDPFRGN-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM O=C([O-])c1ccc(Cn2oc3cc(Cl)c(Cl)cc3c2=O)cc1 ZINC001574802816 957841527 /nfs/dbraw/zinc/84/15/27/957841527.db2.gz PADMZHAUYLTOBB-UHFFFAOYSA-N -1 0 338.146 3.648 20 0 EHADRM O=C([O-])c1cccc(C(=O)N(Cc2cccc(F)c2)C2CCC2)c1 ZINC001574807545 957861237 /nfs/dbraw/zinc/86/12/37/957861237.db2.gz MGHTYOGELIBOMU-UHFFFAOYSA-N -1 0 327.355 3.719 20 0 EHADRM C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC001603199817 972305153 /nfs/dbraw/zinc/30/51/53/972305153.db2.gz NIJJVLWOTYIQHK-JDNHERCYSA-N -1 0 344.238 3.542 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC001603200151 972308095 /nfs/dbraw/zinc/30/80/95/972308095.db2.gz VXECGYFBPJIYSA-ZDUSSCGKSA-N -1 0 341.382 3.682 20 0 EHADRM Cc1cc(Cl)ccc1NC(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001594307848 957984625 /nfs/dbraw/zinc/98/46/25/957984625.db2.gz ATUCIMJPVFBPLE-CQSZACIVSA-N -1 0 336.750 3.735 20 0 EHADRM C[C@@](CNc1ncnc2cc(Cl)ccc21)(C(=O)[O-])c1ccccc1 ZINC001603201711 972309991 /nfs/dbraw/zinc/30/99/91/972309991.db2.gz HPMKGDKWPYZXOV-SFHVURJKSA-N -1 0 341.798 3.738 20 0 EHADRM Cc1cc(F)c(C(=O)N2CCCc3cc(C(=O)[O-])ccc32)c(F)c1 ZINC001594310704 958011931 /nfs/dbraw/zinc/01/19/31/958011931.db2.gz JPNCDXBRSURWHT-UHFFFAOYSA-N -1 0 331.318 3.564 20 0 EHADRM Cc1cc(NC(=O)N2C[C@H](C)OC3(CCCCC3)C2)ccc1C(=O)[O-] ZINC001594318484 958098784 /nfs/dbraw/zinc/09/87/84/958098784.db2.gz YGOHPLOXCGBXEV-AWEZNQCLSA-N -1 0 346.427 3.649 20 0 EHADRM Cc1cc(NC(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)ccc1C(=O)[O-] ZINC001594321181 958132491 /nfs/dbraw/zinc/13/24/91/958132491.db2.gz XXZUAIGREVLEHS-FGTMMUONSA-N -1 0 336.391 3.543 20 0 EHADRM C[C@H](Sc1ccc(Br)cn1)c1ccc(C(=O)[O-])o1 ZINC000091779519 958152893 /nfs/dbraw/zinc/15/28/93/958152893.db2.gz ASISQLSSLUWJCF-ZETCQYMHSA-N -1 0 328.187 3.989 20 0 EHADRM C[C@H](c1ccc(C(=O)[O-])o1)N(C)Cc1ccccc1Br ZINC000091780958 958152920 /nfs/dbraw/zinc/15/29/20/958152920.db2.gz LFIGBLDBDDHREH-SNVBAGLBSA-N -1 0 338.201 3.933 20 0 EHADRM Cc1cc(O[C@@H](C)C(=O)N2CCCC[C@H]2CC(=O)[O-])ccc1C(C)C ZINC001594327245 958184791 /nfs/dbraw/zinc/18/47/91/958184791.db2.gz UIWQCJJCJLFVLM-HOTGVXAUSA-N -1 0 347.455 3.742 20 0 EHADRM O=C([O-])C1(CNC(=O)c2cc3c(s2)CCCCC3)CCCCC1 ZINC000391309115 972328312 /nfs/dbraw/zinc/32/83/12/972328312.db2.gz YZKNFFQNKNRDBY-UHFFFAOYSA-N -1 0 335.469 3.782 20 0 EHADRM Cc1cc2nc(NC(=O)Cc3ccccc3C(=O)[O-])sc2cc1F ZINC001594331857 958233471 /nfs/dbraw/zinc/23/34/71/958233471.db2.gz BSYILBAVBWXUCW-UHFFFAOYSA-N -1 0 344.367 3.623 20 0 EHADRM Cc1ccc(C(C)C)c(OCCC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)c1 ZINC001594350210 958344507 /nfs/dbraw/zinc/34/45/07/958344507.db2.gz WJTIROXHQPOXGQ-HZPDHXFCSA-N -1 0 347.455 3.599 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000391497367 972341633 /nfs/dbraw/zinc/34/16/33/972341633.db2.gz IRDGTSXFZWFMNX-UHFFFAOYSA-N -1 0 326.274 3.601 20 0 EHADRM COc1cc(Cl)ccc1C(=O)Nc1sc(C)cc1C(=O)[O-] ZINC000110776049 958397771 /nfs/dbraw/zinc/39/77/71/958397771.db2.gz VWKAKUNNYLUEIX-UHFFFAOYSA-N -1 0 325.773 3.669 20 0 EHADRM Cc1ccc(CC2CCN(C(=O)C3(CC(=O)[O-])CCC3)CC2)cc1C ZINC001594355327 958409701 /nfs/dbraw/zinc/40/97/01/958409701.db2.gz GNDJOCXJPXSXTP-UHFFFAOYSA-N -1 0 343.467 3.730 20 0 EHADRM Cc1ccc(CCC(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1Cl ZINC000391587334 972348570 /nfs/dbraw/zinc/34/85/70/972348570.db2.gz IGWINNWFEYBUQM-UHFFFAOYSA-N -1 0 347.798 3.683 20 0 EHADRM CSc1ccccc1NC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000391601888 972349019 /nfs/dbraw/zinc/34/90/19/972349019.db2.gz KBJCCXBAPGPLHE-GFCCVEGCSA-N -1 0 336.457 3.763 20 0 EHADRM Cc1ccc(Cl)c2ccc(NC(=O)N3CC[C@@](C)(C(=O)[O-])C3)nc12 ZINC001594363351 958473296 /nfs/dbraw/zinc/47/32/96/958473296.db2.gz QBEMVJLMMJLGSS-QGZVFWFLSA-N -1 0 347.802 3.525 20 0 EHADRM Cc1ccc(F)c2oc(C(=O)N[C@@](C)(C(=O)[O-])c3ccccc3)cc21 ZINC001594364723 958481108 /nfs/dbraw/zinc/48/11/08/958481108.db2.gz AEWYFYAZLNELCL-LJQANCHMSA-N -1 0 341.338 3.610 20 0 EHADRM C[C@H](C(=O)N[C@](C)(C(=O)[O-])c1ccccc1)c1cc2ccccc2o1 ZINC001573364309 958614157 /nfs/dbraw/zinc/61/41/57/958614157.db2.gz RBZWQGSJIBMZEG-RBZFPXEDSA-N -1 0 337.375 3.653 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N[C@@H]3C[C@H](C(=O)[O-])c4ccccc43)cc2c1 ZINC001594381462 958627691 /nfs/dbraw/zinc/62/76/91/958627691.db2.gz KUMDCFPMSZIBLR-DOTOQJQBSA-N -1 0 334.375 3.519 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)Nc1ccccc1-c1nc2cc(Cl)ccc2[nH]1 ZINC001573371955 958628249 /nfs/dbraw/zinc/62/82/49/958628249.db2.gz BTTVAWXGLZUPNF-SECBINFHSA-N -1 0 343.770 3.543 20 0 EHADRM Cc1cc(Cl)c(NC(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])cc1Cl ZINC000128401870 958659857 /nfs/dbraw/zinc/65/98/57/958659857.db2.gz YSURUDFRZAKTTF-GZMMTYOYSA-N -1 0 331.199 3.677 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2c(F)cccc2Br)c1 ZINC000128608398 958669995 /nfs/dbraw/zinc/66/99/95/958669995.db2.gz UJWQTFFAAKHTCC-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Oc1ccc(C(=O)c2ccccc2)cc1 ZINC001573389772 958688438 /nfs/dbraw/zinc/68/84/38/958688438.db2.gz GGDSTZAHNFXGKA-INIZCTEOSA-N -1 0 340.375 3.570 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC001594387592 958690361 /nfs/dbraw/zinc/69/03/61/958690361.db2.gz GXCNQPQLFSBLBE-CHWSQXEVSA-N -1 0 331.318 3.714 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@@H]1SCCc2ccccc21 ZINC001594387943 958691990 /nfs/dbraw/zinc/69/19/90/958691990.db2.gz MWGQLUKXEKSYOT-MRXNPFEDSA-N -1 0 327.405 3.662 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)[C@H]1CC[C@H]1c1ccc(F)cc1)C(=O)[O-] ZINC001573395404 958715630 /nfs/dbraw/zinc/71/56/30/958715630.db2.gz MVYYFJDZSYVKEZ-JYJNAYRXSA-N -1 0 335.419 3.715 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1cccc(OC(C)(C)C)n1 ZINC001594390818 958716634 /nfs/dbraw/zinc/71/66/34/958716634.db2.gz FOQNXNVXPKXPGF-UHFFFAOYSA-N -1 0 328.368 3.518 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC001594391032 958720502 /nfs/dbraw/zinc/72/05/02/958720502.db2.gz OYTSTZVMNBCCLK-UHFFFAOYSA-N -1 0 325.364 3.659 20 0 EHADRM Cc1cccc([C@H](NC(=O)C[C@H](C)c2ccc(F)cc2)C(=O)[O-])c1 ZINC001594394988 958761658 /nfs/dbraw/zinc/76/16/58/958761658.db2.gz YMPQBWPKIQALBE-UGSOOPFHSA-N -1 0 329.371 3.570 20 0 EHADRM Cc1cccc([C@@H](NCc2cnc(-c3ccco3)s2)C(=O)[O-])c1 ZINC001594397851 958788800 /nfs/dbraw/zinc/78/88/00/958788800.db2.gz NFILFJHOJGRQDR-OAHLLOKOSA-N -1 0 328.393 3.627 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2coc(C3CCCCC3)n2)C(=O)[O-])c1 ZINC001594398737 958810294 /nfs/dbraw/zinc/81/02/94/958810294.db2.gz DVAWKRADYVQZQO-MRXNPFEDSA-N -1 0 342.395 3.586 20 0 EHADRM CC(C)(CNC(=O)[C@]1(C(=O)[O-])CC=CCC1)c1ccc(Cl)cc1 ZINC001573474715 958957427 /nfs/dbraw/zinc/95/74/27/958957427.db2.gz JNZBHDSAIOIVMH-SFHVURJKSA-N -1 0 335.831 3.545 20 0 EHADRM CC(C)(CNC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccc(Cl)cc1 ZINC001573474857 958959030 /nfs/dbraw/zinc/95/90/30/958959030.db2.gz OLXCNYWDSASDSN-CSKARUKUSA-N -1 0 347.798 3.738 20 0 EHADRM O=C([O-])c1nc(-c2ccc3c(c2)OCO3)sc1-c1ccccc1 ZINC000140569062 958973127 /nfs/dbraw/zinc/97/31/27/958973127.db2.gz ZHIOXZBJWNLTQT-UHFFFAOYSA-N -1 0 325.345 3.904 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)c1ccc(C(=O)[O-])cn1)C(C)(C)C ZINC001594415128 958988573 /nfs/dbraw/zinc/98/85/73/958988573.db2.gz DKCUCJQXHOPFMB-MRXNPFEDSA-N -1 0 326.396 3.605 20 0 EHADRM Cc1ccccc1CCN(C)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001594417949 959026996 /nfs/dbraw/zinc/02/69/96/959026996.db2.gz WOWRUXRNLRCBQD-UHFFFAOYSA-N -1 0 326.396 3.708 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H]1NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001594419068 959043090 /nfs/dbraw/zinc/04/30/90/959043090.db2.gz YKBPZZYHWQUTLO-ZWKOTPCHSA-N -1 0 338.407 3.690 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OCc1nc(-c2ccc(Cl)cc2)no1 ZINC000391992956 972398021 /nfs/dbraw/zinc/39/80/21/972398021.db2.gz HWCIYDVGRDEBAO-UHFFFAOYSA-N -1 0 344.754 3.976 20 0 EHADRM O=C([O-])c1ccoc1COc1c(F)cc(F)cc1Br ZINC000157553668 959068325 /nfs/dbraw/zinc/06/83/25/959068325.db2.gz MHUBKUJFMVBTRP-UHFFFAOYSA-N -1 0 333.084 3.598 20 0 EHADRM CC(C)COc1ccccc1C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001573524822 959141235 /nfs/dbraw/zinc/14/12/35/959141235.db2.gz MHRLBZALPXVGQM-OAHLLOKOSA-N -1 0 335.444 3.731 20 0 EHADRM CC(C)C[C@@H](NC(=O)C1(c2ccccc2)CC2(CCC2)C1)C(=O)[O-] ZINC001573525026 959142425 /nfs/dbraw/zinc/14/24/25/959142425.db2.gz SHDMEQIGUWDLIE-MRXNPFEDSA-N -1 0 329.440 3.504 20 0 EHADRM COc1ccc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)c(C(=O)[O-])c1 ZINC000392057581 972405025 /nfs/dbraw/zinc/40/50/25/972405025.db2.gz MDZKAYLKSOHFKR-HZSPNIEDSA-N -1 0 331.412 3.938 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)C1(C(=O)[O-])CCSCC1 ZINC001594194148 959184005 /nfs/dbraw/zinc/18/40/05/959184005.db2.gz RWSTZCZWEODIBW-UHFFFAOYSA-N -1 0 345.873 3.598 20 0 EHADRM CC(C)Cn1cc(C(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])c2ccccc21 ZINC001573543451 959194004 /nfs/dbraw/zinc/19/40/04/959194004.db2.gz FEJYHSBAWTUQLG-RDTXWAMCSA-N -1 0 342.439 3.623 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 ZINC001588575382 959217913 /nfs/dbraw/zinc/21/79/13/959217913.db2.gz MEAWJUUOOAQDJM-LLVKDONJSA-N -1 0 333.771 3.578 20 0 EHADRM O=C([O-])c1cc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000392146765 972416010 /nfs/dbraw/zinc/41/60/10/972416010.db2.gz HUMKNGXAPJTBCX-BAQGIRSFSA-N -1 0 346.726 3.598 20 0 EHADRM O=C([O-])C1(CNC(=O)c2c(Cl)cccc2Cl)CCCCC1 ZINC000165619210 959287674 /nfs/dbraw/zinc/28/76/74/959287674.db2.gz LWEPUXZGPUVUFN-UHFFFAOYSA-N -1 0 330.211 3.758 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)Nc1ccc(Cl)cc1-n1cccc1)C1CC1 ZINC001588587032 959319280 /nfs/dbraw/zinc/31/92/80/959319280.db2.gz PJZXXAIVWMXVOZ-LLVKDONJSA-N -1 0 347.802 3.600 20 0 EHADRM Cc1c(NC(=O)Cc2ccc(C(F)(F)F)cc2)cccc1C(=O)[O-] ZINC000392182075 972422807 /nfs/dbraw/zinc/42/28/07/972422807.db2.gz XZYAUUGGRHUZCG-UHFFFAOYSA-N -1 0 337.297 3.893 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC000179089937 959432801 /nfs/dbraw/zinc/43/28/01/959432801.db2.gz KLIKBBNHXWBDTI-RBSFLKMASA-N -1 0 331.412 3.695 20 0 EHADRM Cc1nc2sc3c(c2c(N([C@@H](C)C(=O)[O-])C2CC2)n1)CC[C@@H](C)C3 ZINC001594458387 959441469 /nfs/dbraw/zinc/44/14/69/959441469.db2.gz YSRSKBNPSIJQKH-ZJUUUORDSA-N -1 0 345.468 3.566 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccnc(OCc3ccccc3)c2)cc1 ZINC000190601530 959514521 /nfs/dbraw/zinc/51/45/21/959514521.db2.gz SNHFSSYEVPWJGZ-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM COc1cc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)ccc1Cl ZINC000190764012 959519877 /nfs/dbraw/zinc/51/98/77/959519877.db2.gz XYJXCLGUVQRPCB-OAHLLOKOSA-N -1 0 347.798 3.685 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000190869208 959525683 /nfs/dbraw/zinc/52/56/83/959525683.db2.gz RONWKXVPUWBMCS-UHFFFAOYSA-N -1 0 333.771 3.998 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000190931877 959530016 /nfs/dbraw/zinc/53/00/16/959530016.db2.gz FGOYGQQFECCPRL-LLVKDONJSA-N -1 0 325.364 3.687 20 0 EHADRM CC(C)c1cccc(-c2ccc(C(=O)NCCSCC(=O)[O-])o2)c1 ZINC000190983011 959532755 /nfs/dbraw/zinc/53/27/55/959532755.db2.gz UMRNDBGVHRKPIY-UHFFFAOYSA-N -1 0 347.436 3.618 20 0 EHADRM C/C(=C\c1ccccc1Cl)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000191212458 959545355 /nfs/dbraw/zinc/54/53/55/959545355.db2.gz ZTDGNEYSSNRCEO-CMPYXILNSA-N -1 0 335.831 3.847 20 0 EHADRM COc1cc(C)sc1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000191389107 959557532 /nfs/dbraw/zinc/55/75/32/959557532.db2.gz QZAVTWCBWZYRNA-JTQLQIEISA-N -1 0 333.409 3.581 20 0 EHADRM Cc1ccc(C)c(OCC(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC000191407137 959560741 /nfs/dbraw/zinc/56/07/41/959560741.db2.gz XMPOPSVFKQOCKM-HNNXBMFYSA-N -1 0 341.407 3.584 20 0 EHADRM CCOc1ccc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000191438462 959568295 /nfs/dbraw/zinc/56/82/95/959568295.db2.gz WYHLZSIBOBPLCD-CYBMUJFWSA-N -1 0 327.380 3.601 20 0 EHADRM CCOc1c(F)cccc1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000191446150 959569604 /nfs/dbraw/zinc/56/96/04/959569604.db2.gz ZBLGOCHOVGFUGY-LBPRGKRZSA-N -1 0 345.370 3.740 20 0 EHADRM CSc1ccsc1C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000191445343 959570329 /nfs/dbraw/zinc/57/03/29/959570329.db2.gz UZRBJEJKSMNDPV-SNVBAGLBSA-N -1 0 335.450 3.986 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)NC2(Cc3ccccc3)CCCC2)C1 ZINC000191628038 959587404 /nfs/dbraw/zinc/58/74/04/959587404.db2.gz ZMUFNTDFOGAWFP-IRXDYDNUSA-N -1 0 329.440 3.549 20 0 EHADRM CCc1cc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)oc1CC ZINC000192919080 959596043 /nfs/dbraw/zinc/59/60/43/959596043.db2.gz JOWLQHRTHRWBLL-GFCCVEGCSA-N -1 0 329.396 3.920 20 0 EHADRM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC001573641224 959610353 /nfs/dbraw/zinc/61/03/53/959610353.db2.gz QFNWXLCXVZIRNS-CKEIUWERSA-N -1 0 347.455 3.606 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC001588631465 959618316 /nfs/dbraw/zinc/61/83/16/959618316.db2.gz LGCPLZMUVLKTDY-CJNGLKHVSA-N -1 0 335.419 3.669 20 0 EHADRM Cc1c(F)c(C(F)(F)F)ccc1C(=O)N(CC(=O)[O-])CC(C)(C)C ZINC001594255482 959643464 /nfs/dbraw/zinc/64/34/64/959643464.db2.gz FNCYEWDQUOZOGW-UHFFFAOYSA-N -1 0 349.324 3.726 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)Nc2cccc3c(Cl)nccc23)CC1 ZINC001573653170 959654603 /nfs/dbraw/zinc/65/46/03/959654603.db2.gz XADNZSBTUCTAOA-UHFFFAOYSA-N -1 0 347.802 3.607 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001573655143 959666277 /nfs/dbraw/zinc/66/62/77/959666277.db2.gz AXTRGYSFTUIOML-WDEREUQCSA-N -1 0 349.393 3.608 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(F)cc1F ZINC001588639409 959676288 /nfs/dbraw/zinc/67/62/88/959676288.db2.gz OGXASMNHQWULEQ-RWSFTLGLSA-N -1 0 339.382 3.669 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)O[C@H]1CCCc2c(F)cc(F)cc21 ZINC001588641255 959698183 /nfs/dbraw/zinc/69/81/83/959698183.db2.gz ZZQYTNCWPHRTHI-UONOGXRCSA-N -1 0 326.339 3.632 20 0 EHADRM CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001588642983 959710116 /nfs/dbraw/zinc/71/01/16/959710116.db2.gz IMZABQRQHNKRAV-BZUAXINKSA-N -1 0 338.492 3.735 20 0 EHADRM CC1(C)CCc2c(sc(NC(=O)c3cscn3)c2C(=O)[O-])C1 ZINC001573676035 959725944 /nfs/dbraw/zinc/72/59/44/959725944.db2.gz RXMWICNXMAFHML-UHFFFAOYSA-N -1 0 336.438 3.670 20 0 EHADRM Cc1c(N[C@H](C)C(=O)[O-])cc(Br)cc1C(F)(F)F ZINC001594266174 959739426 /nfs/dbraw/zinc/73/94/26/959739426.db2.gz DCURYEMOKIQLKO-ZCFIWIBFSA-N -1 0 326.112 3.661 20 0 EHADRM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001594266749 959746225 /nfs/dbraw/zinc/74/62/25/959746225.db2.gz NJRAUGCXYUEQRY-BMFZPTHFSA-N -1 0 346.471 3.634 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)/C=C\c1cc(Cl)cc(Cl)c1 ZINC000215301868 959749812 /nfs/dbraw/zinc/74/98/12/959749812.db2.gz NSYCPMSLBDVEGP-UMCURTJPSA-N -1 0 330.211 3.718 20 0 EHADRM CC(C)(C)CCC1(O)CC(C(=O)Nc2cccc(CCC(=O)[O-])c2)C1 ZINC001588651899 959775810 /nfs/dbraw/zinc/77/58/10/959775810.db2.gz XVIOVGGRCKVALT-UHFFFAOYSA-N -1 0 347.455 3.610 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)CSCc1cccc(Cl)c1 ZINC001588652978 959787687 /nfs/dbraw/zinc/78/76/87/959787687.db2.gz YFSQQDBNNHAHIL-UHFFFAOYSA-N -1 0 343.876 3.533 20 0 EHADRM C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)NCc1ccccc1C(=O)[O-] ZINC001573698922 959811658 /nfs/dbraw/zinc/81/16/58/959811658.db2.gz QSZFWVJRGLBRAX-DZGCQCFKSA-N -1 0 332.444 3.741 20 0 EHADRM COc1ccc(OCc2ccc(C(=O)[O-])cc2Br)cc1 ZINC000226696363 959893883 /nfs/dbraw/zinc/89/38/83/959893883.db2.gz BVOSZIYIXQMPPU-UHFFFAOYSA-N -1 0 337.169 3.735 20 0 EHADRM O=C([O-])c1ccc2c(c1)N(Cc1csc(Br)c1)CC2 ZINC000228537367 960023109 /nfs/dbraw/zinc/02/31/09/960023109.db2.gz LVOSCZCWFRNRKS-UHFFFAOYSA-N -1 0 338.226 3.772 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(Br)cc1C(=O)[O-])c1ccccc1 ZINC000235091451 960385389 /nfs/dbraw/zinc/38/53/89/960385389.db2.gz VWVWHTRDAQLYGG-SNVBAGLBSA-N -1 0 348.196 3.890 20 0 EHADRM C[C@@H](C(=O)Nc1cc(Br)ccc1C(=O)[O-])c1ccccc1 ZINC000235084731 960385626 /nfs/dbraw/zinc/38/56/26/960385626.db2.gz AHCQZLXSMNVHMF-SNVBAGLBSA-N -1 0 348.196 3.890 20 0 EHADRM COc1cccc(CN(CC(C)C)C(=O)[C@H](C(=O)[O-])C2CCCC2)c1 ZINC001574231831 960409989 /nfs/dbraw/zinc/40/99/89/960409989.db2.gz GKOWWHWJBCLSDD-GOSISDBHSA-N -1 0 347.455 3.571 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1-c1nccs1 ZINC001123297547 960451896 /nfs/dbraw/zinc/45/18/96/960451896.db2.gz MNZJSHPJPBEYSN-NWDGAFQWSA-N -1 0 330.409 3.640 20 0 EHADRM C[C@H](NC(=O)c1cc2c(s1)CC[C@@H](C)C2)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001573738933 960473933 /nfs/dbraw/zinc/47/39/33/960473933.db2.gz LQTISBLWKZCABG-UVLXDEKHSA-N -1 0 349.496 3.738 20 0 EHADRM CCc1ccc(NC(=O)c2ccc(OC(C)C)cc2)c(C(=O)[O-])c1 ZINC000392705701 972512260 /nfs/dbraw/zinc/51/22/60/972512260.db2.gz WZODMWQINBLWEH-UHFFFAOYSA-N -1 0 327.380 3.987 20 0 EHADRM COc1ccc(NC(=O)c2cc3ccc(F)cc3s2)c(C(=O)[O-])c1 ZINC000392703933 972512325 /nfs/dbraw/zinc/51/23/25/972512325.db2.gz WGOYRAGUZSKQDK-UHFFFAOYSA-N -1 0 345.351 4.000 20 0 EHADRM O=C([O-])C1CCC(Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000236427463 960581876 /nfs/dbraw/zinc/58/18/76/960581876.db2.gz QOYWIHUBTKJBHE-UHFFFAOYSA-N -1 0 333.171 3.957 20 0 EHADRM O=C([O-])CCc1csc(Nc2cccc(Br)c2)n1 ZINC000236429015 960583231 /nfs/dbraw/zinc/58/32/31/960583231.db2.gz FVSSBZDNUYHDMM-UHFFFAOYSA-N -1 0 327.203 3.666 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 ZINC001574267157 960594295 /nfs/dbraw/zinc/59/42/95/960594295.db2.gz RFHKWQRWTFIHAD-WQAKAFBOSA-N -1 0 347.308 3.570 20 0 EHADRM C/C=C\C[C@@H]1CCCN(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)C1 ZINC001573760186 960607899 /nfs/dbraw/zinc/60/78/99/960607899.db2.gz WSQXLLLQSGTZAL-RMAKXMGUSA-N -1 0 342.439 3.687 20 0 EHADRM O=C([O-])COc1ccc(-c2nc3cc(F)ccc3n2C2CC2)cc1 ZINC001250735578 960635923 /nfs/dbraw/zinc/63/59/23/960635923.db2.gz LPSYJRFAMQRUEH-UHFFFAOYSA-N -1 0 326.327 3.641 20 0 EHADRM Cc1c(Cl)cccc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001574297850 960704590 /nfs/dbraw/zinc/70/45/90/960704590.db2.gz JJZYTVCPAWJHCS-ZBFHGGJFSA-N -1 0 329.783 3.691 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC000236736099 960746301 /nfs/dbraw/zinc/74/63/01/960746301.db2.gz BIZXIMURUMEILC-INIZCTEOSA-N -1 0 345.439 3.749 20 0 EHADRM CCCCCN(Cc1ccc(F)cc1)C(=O)c1ccc(C(=O)[O-])cn1 ZINC000236742649 960749146 /nfs/dbraw/zinc/74/91/46/960749146.db2.gz JXIJBZRZTGVNFX-UHFFFAOYSA-N -1 0 344.386 3.752 20 0 EHADRM CC(C)Oc1ccc([C@H](C)NC(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000236742644 960749173 /nfs/dbraw/zinc/74/91/73/960749173.db2.gz JGBSMCLQGQVVFD-ZDUSSCGKSA-N -1 0 327.380 3.663 20 0 EHADRM CCC(CC)(CNC(=O)C(C)(C)c1cccc(Cl)c1)C(=O)[O-] ZINC000236825756 960765308 /nfs/dbraw/zinc/76/53/08/960765308.db2.gz IXNAGHITEOIXEX-UHFFFAOYSA-N -1 0 325.836 3.625 20 0 EHADRM CCCCCC(=O)N[C@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000236833839 960770038 /nfs/dbraw/zinc/77/00/38/960770038.db2.gz YQPGIXPVXZMIAP-CYBMUJFWSA-N -1 0 347.333 3.798 20 0 EHADRM CCC[C@](C)(NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)C(=O)[O-] ZINC000236836906 960770642 /nfs/dbraw/zinc/77/06/42/960770642.db2.gz SXMPJHKXEIAFEH-HNNXBMFYSA-N -1 0 343.210 3.848 20 0 EHADRM Cc1cc(C(=O)Nc2sc3c(c2C(=O)[O-])C[C@@H](C)O[C@@H]3C)c(C)[nH]1 ZINC001574314795 960772622 /nfs/dbraw/zinc/77/26/22/960772622.db2.gz AKOFDSQIIZYOTH-PSASIEDQSA-N -1 0 348.424 3.666 20 0 EHADRM CCC(CC)(C(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000236866427 960782863 /nfs/dbraw/zinc/78/28/63/960782863.db2.gz BNCKHXFLENEHGW-MRXNPFEDSA-N -1 0 331.456 3.848 20 0 EHADRM CCCc1sc(C(=O)N(CCC(=O)[O-])CC(C)C)cc1CC ZINC000236882881 960789637 /nfs/dbraw/zinc/78/96/37/960789637.db2.gz ASCGMODCRXOXKU-UHFFFAOYSA-N -1 0 325.474 3.836 20 0 EHADRM CC[C@@H](CC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccc(C)cc1 ZINC000236915922 960798061 /nfs/dbraw/zinc/79/80/61/960798061.db2.gz NOEMKRZZHHKOCS-SJORKVTESA-N -1 0 331.456 3.982 20 0 EHADRM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccnc(C(=O)[O-])c2)o1 ZINC000236973041 960818242 /nfs/dbraw/zinc/81/82/42/960818242.db2.gz HHQCKYOWOHRHDC-LRDDRELGSA-N -1 0 342.395 3.549 20 0 EHADRM CC[C@@H](CNC(=O)N(Cc1ccc2ccccc2c1)C1CC1)C(=O)[O-] ZINC001573800390 960821411 /nfs/dbraw/zinc/82/14/11/960821411.db2.gz SEPRIXXMXCJSES-HNNXBMFYSA-N -1 0 340.423 3.625 20 0 EHADRM Cc1cc(C(=O)N(C)CCCC(=O)[O-])c(C)n1-c1ccc(Cl)cc1 ZINC000237021202 960839981 /nfs/dbraw/zinc/83/99/81/960839981.db2.gz PRCSZBMZCWBIBW-UHFFFAOYSA-N -1 0 348.830 3.684 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C1 ZINC000263189546 1125474702 /nfs/dbraw/zinc/47/47/02/1125474702.db2.gz VKVPEMFMGRQCLT-YUMQZZPRSA-N -1 0 349.189 3.707 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000237175485 960883695 /nfs/dbraw/zinc/88/36/95/960883695.db2.gz BRWNFQYPHAEGGJ-LBPRGKRZSA-N -1 0 327.380 3.834 20 0 EHADRM COc1ccccc1[C@@H](CC(C)C)NC(=O)CC(C)(C)CC(=O)[O-] ZINC000237193456 960883803 /nfs/dbraw/zinc/88/38/03/960883803.db2.gz RNBLVWQRXLQOEM-OAHLLOKOSA-N -1 0 335.444 3.790 20 0 EHADRM CC[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccn1)c1cc(C)ccc1C ZINC001573810246 960884541 /nfs/dbraw/zinc/88/45/41/960884541.db2.gz CEBGAOUVRFAURS-OAHLLOKOSA-N -1 0 327.384 3.669 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001573812881 960910992 /nfs/dbraw/zinc/91/09/92/960910992.db2.gz HSPMXQDIUBVWSR-NXOAAHMSSA-N -1 0 339.476 3.606 20 0 EHADRM COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000237371326 960919937 /nfs/dbraw/zinc/91/99/37/960919937.db2.gz GYYNTGKQQLVCTJ-OAHLLOKOSA-N -1 0 343.379 3.744 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)CCc1ccc(F)cc1)C(=O)[O-] ZINC000237394857 960924514 /nfs/dbraw/zinc/92/45/14/960924514.db2.gz LNVPDJSVIHJAOV-OAHLLOKOSA-N -1 0 343.398 3.508 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)Cc1ccccc1Cl)C(=O)[O-] ZINC000237398561 960927593 /nfs/dbraw/zinc/92/75/93/960927593.db2.gz AVHGIQJJVFOBIJ-CQSZACIVSA-N -1 0 345.826 3.632 20 0 EHADRM C[C@@H](CC(=O)NCCCCCC(=O)[O-])c1ccccc1C(F)(F)F ZINC000237421748 960932218 /nfs/dbraw/zinc/93/22/18/960932218.db2.gz RKTUATPZUCLCGI-LBPRGKRZSA-N -1 0 345.361 3.960 20 0 EHADRM Cc1cccc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])c1C ZINC000237490600 960946233 /nfs/dbraw/zinc/94/62/33/960946233.db2.gz LHWORPHVOFLNLV-HNNXBMFYSA-N -1 0 325.408 3.667 20 0 EHADRM C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000237532022 960956716 /nfs/dbraw/zinc/95/67/16/960956716.db2.gz FVBHSNVDBZQOQH-GZMMTYOYSA-N -1 0 348.251 3.550 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NCc1cccc(Cl)c1)C(=O)[O-] ZINC000237558781 960960746 /nfs/dbraw/zinc/96/07/46/960960746.db2.gz DKNUMSQNHGZTNO-NSHDSACASA-N -1 0 349.839 3.835 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(C(=O)c1ccc(C(=O)[O-])o1)C1CC1 ZINC000237622824 960976962 /nfs/dbraw/zinc/97/69/62/960976962.db2.gz HFZNCFIZKKUMMH-JTQLQIEISA-N -1 0 333.771 3.997 20 0 EHADRM Cc1ccc(/C=C/CC(=O)Nc2ccc(OCCC(=O)[O-])cc2)cc1 ZINC000237797196 961026626 /nfs/dbraw/zinc/02/66/26/961026626.db2.gz NMEPDHIVJYLXBN-NSCUHMNNSA-N -1 0 339.391 3.891 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H]1NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000237945676 961050161 /nfs/dbraw/zinc/05/01/61/961050161.db2.gz NWIWROKDZZHPKR-WCQYABFASA-N -1 0 333.771 3.583 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2OC(F)(F)F)s1 ZINC000238060245 961090277 /nfs/dbraw/zinc/09/02/77/961090277.db2.gz KYARBQSVKATUDV-UHFFFAOYSA-N -1 0 331.271 3.597 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2C[C@@H]3CCCC[C@]32c2ccccc2)c1 ZINC000238062884 961091841 /nfs/dbraw/zinc/09/18/41/961091841.db2.gz MNVTZAXUJKOELS-RXVVDRJESA-N -1 0 335.403 3.926 20 0 EHADRM CCCCOc1ccc(C(=O)N[C@H](C(=O)[O-])c2cccc(C)c2)cc1 ZINC001573849226 961123368 /nfs/dbraw/zinc/12/33/68/961123368.db2.gz SPQJFDYGLCNKHO-SFHVURJKSA-N -1 0 341.407 3.730 20 0 EHADRM O=C([O-])CN(Cc1ccccc1)C(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000238151641 961131394 /nfs/dbraw/zinc/13/13/94/961131394.db2.gz SQZNGULGBHDSSC-UHFFFAOYSA-N -1 0 342.782 3.548 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2ccc(Cl)c3cccnc23)c1 ZINC000238155533 961133720 /nfs/dbraw/zinc/13/37/20/961133720.db2.gz QKVBYXPAZKQFDQ-UHFFFAOYSA-N -1 0 344.729 3.978 20 0 EHADRM CC(C)(C)c1ccc(CCC(=O)Nc2ncccc2C(=O)[O-])cc1 ZINC001588739340 961148373 /nfs/dbraw/zinc/14/83/73/961148373.db2.gz BHGNHBDTDZJKOL-UHFFFAOYSA-N -1 0 326.396 3.649 20 0 EHADRM CC(C)(C)c1cc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cc(C(C)(C)C)c1O ZINC001588739506 961152663 /nfs/dbraw/zinc/15/26/63/961152663.db2.gz RXUHJORYRQOUAS-BETUJISGSA-N -1 0 347.455 3.580 20 0 EHADRM CC(C)(C)c1cc2cccnc2c(NC(=O)NCCCC(=O)[O-])c1 ZINC001588739709 961159613 /nfs/dbraw/zinc/15/96/13/961159613.db2.gz ZKCYAALDIDGUEU-UHFFFAOYSA-N -1 0 329.400 3.519 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC000248847209 961198419 /nfs/dbraw/zinc/19/84/19/961198419.db2.gz AZJCZGNQTUBRIX-SHTZXODSSA-N -1 0 333.428 3.859 20 0 EHADRM CC(C)(CC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)c1ccc(F)cc1 ZINC001588754765 961216691 /nfs/dbraw/zinc/21/66/91/961216691.db2.gz JRZLTMULYVKMPU-HXUWFJFHSA-N -1 0 343.398 3.610 20 0 EHADRM CC(C)(CCNC(=O)/C=C/c1ccc(F)c2ccccc12)C(=O)[O-] ZINC001588770293 961259894 /nfs/dbraw/zinc/25/98/94/961259894.db2.gz OHJSMLSEHHUOOY-CSKARUKUSA-N -1 0 329.371 3.609 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(SC(F)(F)F)cc2)nc1 ZINC001330261749 961340683 /nfs/dbraw/zinc/34/06/83/961340683.db2.gz HLUYXNOKPJTGEP-UHFFFAOYSA-N -1 0 342.298 3.644 20 0 EHADRM CN(C(=O)c1ccc(-c2ccccc2Cl)o1)C(C)(C)CC(=O)[O-] ZINC001331050709 961364445 /nfs/dbraw/zinc/36/44/45/961364445.db2.gz XOLJGBRJOGYMRN-UHFFFAOYSA-N -1 0 335.787 3.925 20 0 EHADRM C[C@H](c1ccccc1)[C@H](C)NC(=O)CCc1ccccc1C(=O)[O-] ZINC000262071127 961432388 /nfs/dbraw/zinc/43/23/88/961432388.db2.gz CXOSBCNUPSISIC-GJZGRUSLSA-N -1 0 325.408 3.626 20 0 EHADRM Cc1oc(-c2ccccc2)cc1C(=O)N1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC001574444085 961440529 /nfs/dbraw/zinc/44/05/29/961440529.db2.gz PIOLMIRXKYRAGM-MLGOLLRUSA-N -1 0 327.380 3.723 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000262150663 961501526 /nfs/dbraw/zinc/50/15/26/961501526.db2.gz PEOWFAQQQPWHLL-UHFFFAOYSA-N -1 0 341.860 3.825 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)CC2(C(F)(F)F)CC2)cc1)C(=O)[O-] ZINC001332613933 961604369 /nfs/dbraw/zinc/60/43/69/961604369.db2.gz QIJQWVXYAIMZCA-SNVBAGLBSA-N -1 0 329.318 3.621 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2CCC[C@H](F)C2)ccc1Br ZINC001332638357 961618080 /nfs/dbraw/zinc/61/80/80/961618080.db2.gz VYLQTEFMHMSINO-IUCAKERBSA-N -1 0 344.180 3.614 20 0 EHADRM CC(C)[C@@H](CNC(=O)N(CCc1ccccc1)C1CCCC1)C(=O)[O-] ZINC001588821524 961627626 /nfs/dbraw/zinc/62/76/26/961627626.db2.gz KILSCJHJRINBKL-GOSISDBHSA-N -1 0 346.471 3.540 20 0 EHADRM Cc1oc(CN(C)Cc2cccc3c2OC(C)(C)C3)cc1C(=O)[O-] ZINC001333122573 961644371 /nfs/dbraw/zinc/64/43/71/961644371.db2.gz QHBGUTAXTGJDBZ-UHFFFAOYSA-N -1 0 329.396 3.632 20 0 EHADRM COc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC000262325598 961645393 /nfs/dbraw/zinc/64/53/93/961645393.db2.gz DJCGCBQRZZZCBM-INIZCTEOSA-N -1 0 343.354 3.510 20 0 EHADRM Cc1oc(CNC(=O)C[C@@H](C)c2c[nH]c3ccccc32)cc1C(=O)[O-] ZINC001333317995 961676532 /nfs/dbraw/zinc/67/65/32/961676532.db2.gz NKHAETBKLLXZGC-LLVKDONJSA-N -1 0 340.379 3.578 20 0 EHADRM CCc1ccc2occ(C(=O)N[C@H](C(=O)[O-])c3ccc(F)cc3)c2c1 ZINC001573960665 961684206 /nfs/dbraw/zinc/68/42/06/961684206.db2.gz KQRIGBINWSIDQA-KRWDZBQOSA-N -1 0 341.338 3.690 20 0 EHADRM CCc1ccc2nc(NC(=O)[C@]3(C(=O)[O-])CC=CCC3)sc2c1 ZINC001573961054 961685631 /nfs/dbraw/zinc/68/56/31/961685631.db2.gz ROUIVLWPNYVWPQ-KRWDZBQOSA-N -1 0 330.409 3.608 20 0 EHADRM CC(C)[C@H](CNC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3)C(=O)[O-] ZINC001588829960 961696141 /nfs/dbraw/zinc/69/61/41/961696141.db2.gz DYPKFZKHNSTTLQ-INIZCTEOSA-N -1 0 342.439 3.523 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])cc1F)C(C)(C)c1ccccc1 ZINC000262417642 961707274 /nfs/dbraw/zinc/70/72/74/961707274.db2.gz QBPCAOZNATYWAO-LBPRGKRZSA-N -1 0 329.371 3.620 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)CCCCCc1cccs1)c1ccccc1 ZINC000262529796 961761728 /nfs/dbraw/zinc/76/17/28/961761728.db2.gz SHFCCZGOLROMSB-KRWDZBQOSA-N -1 0 345.464 3.836 20 0 EHADRM Cc1cccc(O[C@@H](C)C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000262553860 961770772 /nfs/dbraw/zinc/77/07/72/961770772.db2.gz UJIOLBKMBTVOOV-AWEZNQCLSA-N -1 0 327.380 3.716 20 0 EHADRM CSc1ccc(O[C@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2C)cc1 ZINC001334359586 961802864 /nfs/dbraw/zinc/80/28/64/961802864.db2.gz SOTHVJSEWMMJSK-GFCCVEGCSA-N -1 0 345.420 3.821 20 0 EHADRM CC(C)[C@@H]1CCC[C@@H](NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1 ZINC001588841596 961807015 /nfs/dbraw/zinc/80/70/15/961807015.db2.gz MNGOZDPOSKDXFI-DGXTUMSLSA-N -1 0 338.492 3.636 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C2(c3cccc(Cl)c3)CCCC2)C1 ZINC000262724677 961828864 /nfs/dbraw/zinc/82/88/64/961828864.db2.gz RUOHBNFRHIKUQF-DOMZBBRYSA-N -1 0 335.831 3.521 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)Nc2ccc3oc(C4CC4)nc3c2)o1 ZINC001574514051 961832303 /nfs/dbraw/zinc/83/23/03/961832303.db2.gz RTUAZKMACXESJL-YVMONPNESA-N -1 0 338.319 3.648 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)NCc2ccc(Cl)cc2Cl)o1 ZINC001574514056 961832498 /nfs/dbraw/zinc/83/24/98/961832498.db2.gz SETCIFZRBDUYCD-GQCTYLIASA-N -1 0 340.162 3.614 20 0 EHADRM CC[C@@H](C)Oc1ccc(NC(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC000262738397 961837946 /nfs/dbraw/zinc/83/79/46/961837946.db2.gz HYMXVZNBXJSLMN-CYBMUJFWSA-N -1 0 327.380 3.743 20 0 EHADRM Cc1cccc(C2(C(=O)Nc3ccc(C[C@H](C)C(=O)[O-])cc3)CC2)c1 ZINC000262763719 961855840 /nfs/dbraw/zinc/85/58/40/961855840.db2.gz KQLPUUIDSSFTSW-HNNXBMFYSA-N -1 0 337.419 3.929 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)NCCCCCCC(=O)[O-] ZINC000262800769 961873538 /nfs/dbraw/zinc/87/35/38/961873538.db2.gz RLZDVMOIWGKIBU-ZDUSSCGKSA-N -1 0 325.836 3.670 20 0 EHADRM Cc1cccc(O[C@H](C)C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c1 ZINC000262821327 961888957 /nfs/dbraw/zinc/88/89/57/961888957.db2.gz AWGBVLRULSJFRW-UONOGXRCSA-N -1 0 327.380 3.589 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC000262831854 961898605 /nfs/dbraw/zinc/89/86/05/961898605.db2.gz BRHBASPBYIBVNP-HNNXBMFYSA-N -1 0 341.382 3.537 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)OCc1cccc(-c2ccccn2)c1 ZINC001574537603 961923200 /nfs/dbraw/zinc/92/32/00/961923200.db2.gz CGCUYHLOKJPCCD-UHFFFAOYSA-N -1 0 347.370 3.733 20 0 EHADRM CC(C)(CCNC(=O)c1ccccc1Oc1ccccc1)C(=O)[O-] ZINC000262881409 961956054 /nfs/dbraw/zinc/95/60/54/961956054.db2.gz CDJSQYYWZOMPBM-UHFFFAOYSA-N -1 0 327.380 3.710 20 0 EHADRM COc1cc(NC(=O)c2ccc(OC(C)(C)C)cc2)ccc1C(=O)[O-] ZINC000262893805 961968058 /nfs/dbraw/zinc/96/80/58/961968058.db2.gz IBFRUQCBZVXHLA-UHFFFAOYSA-N -1 0 343.379 3.823 20 0 EHADRM CC[C@@H](CSC)NC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000262899167 961975650 /nfs/dbraw/zinc/97/56/50/961975650.db2.gz IPSOIOYVRJFTIT-ZDUSSCGKSA-N -1 0 343.448 3.923 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000262907230 961986731 /nfs/dbraw/zinc/98/67/31/961986731.db2.gz JGDBSAXBJBNFGM-UHFFFAOYSA-N -1 0 327.380 3.943 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)CC1 ZINC000262918836 962000296 /nfs/dbraw/zinc/00/02/96/962000296.db2.gz ILZJQORZTVSUGG-MPGHIAIKSA-N -1 0 329.440 3.659 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)Nc2cccc(Oc3ccncc3)c2)CC1 ZINC000262924167 962005303 /nfs/dbraw/zinc/00/53/03/962005303.db2.gz LEIDEJLLAFEVBX-HDJSIYSDSA-N -1 0 340.379 3.703 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)c2ccc(F)c(Cl)c2)c2ccccc21 ZINC001574558565 962006438 /nfs/dbraw/zinc/00/64/38/962006438.db2.gz XXLNPKKNEAHDJW-SWLSCSKDSA-N -1 0 333.746 3.522 20 0 EHADRM O=C([O-])CC1(NC(=O)CSc2ccc3ccccc3c2)CCCC1 ZINC000262942036 962027855 /nfs/dbraw/zinc/02/78/55/962027855.db2.gz PXKVYUCFDCOCQQ-UHFFFAOYSA-N -1 0 343.448 3.836 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)N[C@H](CC(C)C)C(=O)[O-])cc1 ZINC001588867725 962030671 /nfs/dbraw/zinc/03/06/71/962030671.db2.gz GXKFENASMOPMGK-MRXNPFEDSA-N -1 0 336.432 3.732 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)[C@]2(C(=O)[O-])CC2(C)C)c(F)c1 ZINC001588867732 962031917 /nfs/dbraw/zinc/03/19/17/962031917.db2.gz HNVXPKDEVSXSFA-SFHVURJKSA-N -1 0 337.391 3.690 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000262996095 962087856 /nfs/dbraw/zinc/08/78/56/962087856.db2.gz QTZNTKMBWSTQQP-XHDPSFHLSA-N -1 0 345.370 3.578 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc3ccc(C)cc3[nH]2)cc1 ZINC001340574665 962109252 /nfs/dbraw/zinc/10/92/52/962109252.db2.gz YROHOJAZXYMYJX-KRWDZBQOSA-N -1 0 336.391 3.731 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)N2CCCCC[C@H]2/C=C/c2ccccc2)C1 ZINC001574593701 962138271 /nfs/dbraw/zinc/13/82/71/962138271.db2.gz JIQYBTRNOYYWPL-VEOLBCOISA-N -1 0 342.439 3.517 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(CCC(F)(F)F)cc2)[C@@H](C(=O)[O-])C1 ZINC000263032959 962149916 /nfs/dbraw/zinc/14/99/16/962149916.db2.gz OQLZSWFSWSNXIU-BXUZGUMPSA-N -1 0 343.345 3.507 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1ccccc1OC1CCCCC1)C(=O)[O-] ZINC001588886067 962174739 /nfs/dbraw/zinc/17/47/39/962174739.db2.gz UMXKVRMZXCVATM-MRXNPFEDSA-N -1 0 333.428 3.627 20 0 EHADRM CC(C)C[C@H](CNC(=O)C1(CCc2ccccc2)CC1)CC(=O)[O-] ZINC001588887335 962181936 /nfs/dbraw/zinc/18/19/36/962181936.db2.gz GVNZVXAUPGIFSG-KRWDZBQOSA-N -1 0 331.456 3.653 20 0 EHADRM Cc1cc(NC(=O)N2CCC(C(=O)[O-])CC2)ccc1-c1ccccc1 ZINC000263063649 962202968 /nfs/dbraw/zinc/20/29/68/962202968.db2.gz OVUDVQFFZBVGLA-UHFFFAOYSA-N -1 0 338.407 3.991 20 0 EHADRM CC(C)C[C@H](CNC(=O)NCC[C@@H]1CCCC[C@@H]1C)CC(=O)[O-] ZINC001588892634 962210501 /nfs/dbraw/zinc/21/05/01/962210501.db2.gz UYJGOELGBNPZHT-JYJNAYRXSA-N -1 0 326.481 3.639 20 0 EHADRM C[C@H](C(=O)N1CCC[C@](C)(C(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000263081531 962225016 /nfs/dbraw/zinc/22/50/16/962225016.db2.gz USMSCHMSUCMKLA-QFYYESIMSA-N -1 0 344.238 3.810 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc3c(ccc4ccccc34)[nH]2)C1 ZINC000263086996 962234636 /nfs/dbraw/zinc/23/46/36/962234636.db2.gz VEHPKZQHKQNYRU-HXUWFJFHSA-N -1 0 336.391 3.648 20 0 EHADRM CCN(C(=O)CCc1ccc(C(=O)[O-])cc1)[C@@H](C)Cc1ccsc1 ZINC000263107151 962258717 /nfs/dbraw/zinc/25/87/17/962258717.db2.gz WIJWMAZBUGBECT-AWEZNQCLSA-N -1 0 345.464 3.859 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)Nc2ccnc(C(=O)[O-])c2)c1 ZINC001588906273 962278810 /nfs/dbraw/zinc/27/88/10/962278810.db2.gz VMWRNIPUZCTECZ-ZDUSSCGKSA-N -1 0 326.396 3.721 20 0 EHADRM O=C([O-])C1(C(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)CCCCCC1 ZINC001574633496 962313002 /nfs/dbraw/zinc/31/30/02/962313002.db2.gz SMUITYGYXHEJRH-DZGCQCFKSA-N -1 0 335.831 3.737 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Oc2ccc(Oc3ccccn3)cc2)CC=CCC1 ZINC001574637983 962321936 /nfs/dbraw/zinc/32/19/36/962321936.db2.gz AXIXTUHQSGEXBH-LJQANCHMSA-N -1 0 339.347 3.590 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2SCCc3sccc32)cc1 ZINC000263173578 962326572 /nfs/dbraw/zinc/32/65/72/962326572.db2.gz GGJYDLWRKPYKQL-ZUZCIYMTSA-N -1 0 347.461 3.905 20 0 EHADRM Cc1cc2c(cc1C)[C@@H](C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1)CO2 ZINC000263195658 962349491 /nfs/dbraw/zinc/34/94/91/962349491.db2.gz JDEKPDGHUDJLNA-GUYCJALGSA-N -1 0 339.391 3.606 20 0 EHADRM Cc1oc(CN(C)C(=O)CC[C@H](C)c2ccccc2)cc1C(=O)[O-] ZINC000263218082 962371733 /nfs/dbraw/zinc/37/17/33/962371733.db2.gz YBPPFXFVHJTOBN-ZDUSSCGKSA-N -1 0 329.396 3.829 20 0 EHADRM Cc1oc(CN(C)C(=O)CC[C@@H](C)c2ccccc2)cc1C(=O)[O-] ZINC000263218081 962372125 /nfs/dbraw/zinc/37/21/25/962372125.db2.gz YBPPFXFVHJTOBN-CYBMUJFWSA-N -1 0 329.396 3.829 20 0 EHADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)CCCc1csc2ccccc12 ZINC000263239299 962384486 /nfs/dbraw/zinc/38/44/86/962384486.db2.gz TVNMRUJXAULNCX-GXTWGEPZSA-N -1 0 331.437 3.546 20 0 EHADRM CCOc1ccccc1-c1cccc(C(=O)N[C@](C)(CC)C(=O)[O-])c1 ZINC000263258779 962398407 /nfs/dbraw/zinc/39/84/07/962398407.db2.gz LNNQRIZFESBRGC-HXUWFJFHSA-N -1 0 341.407 3.735 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCC(C3CCC3)CC2)c2ccccc21 ZINC001574649168 962413337 /nfs/dbraw/zinc/41/33/37/962413337.db2.gz ITYUHJZWZFXSEJ-ZWKOTPCHSA-N -1 0 342.439 3.521 20 0 EHADRM O=C([O-])[C@H]1CCN(CCCCF)c2ccc(Br)cc21 ZINC001574655869 962455583 /nfs/dbraw/zinc/45/55/83/962455583.db2.gz HNOKQUYGHIQYCQ-NSHDSACASA-N -1 0 330.197 3.577 20 0 EHADRM COc1ccc([C@H]2CCCN2C(=O)c2cc(C)cc(C(=O)[O-])c2)cc1 ZINC000263321191 962463715 /nfs/dbraw/zinc/46/37/15/962463715.db2.gz NPZZQTZMEOZSNH-GOSISDBHSA-N -1 0 339.391 3.679 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2ccc(SC(F)(F)F)cc2)CCC1 ZINC001349499758 962470800 /nfs/dbraw/zinc/47/08/00/962470800.db2.gz ZTPRQPSUTNZLSC-UHFFFAOYSA-N -1 0 348.346 3.817 20 0 EHADRM O=C([O-])[C@H]1CN(Cc2nc(Cl)ccc2Cl)Cc2ccccc21 ZINC001574661445 962492594 /nfs/dbraw/zinc/49/25/94/962492594.db2.gz MYZMXJVRSCVQJJ-LBPRGKRZSA-N -1 0 337.206 3.572 20 0 EHADRM CCOc1ccc(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)cc1OC ZINC000263343674 962495480 /nfs/dbraw/zinc/49/54/80/962495480.db2.gz SPIXXIILMFQJRC-LBPRGKRZSA-N -1 0 343.379 3.534 20 0 EHADRM CC[C@H](C)n1nccc1C(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC001349954186 962505206 /nfs/dbraw/zinc/50/52/06/962505206.db2.gz OBNZZYQFLRJONF-JTQLQIEISA-N -1 0 333.413 3.527 20 0 EHADRM Cn1c(C(=O)[O-])ccc1[C@@H]1CCCCN1C(=O)CCCC(C)(C)C ZINC001349996191 962529420 /nfs/dbraw/zinc/52/94/20/962529420.db2.gz IOGCDBZDSHSFPF-HNNXBMFYSA-N -1 0 334.460 3.993 20 0 EHADRM O=C([O-])CCC(=O)O[C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC001574682926 962596986 /nfs/dbraw/zinc/59/69/86/962596986.db2.gz XJJTZMHZIFTKQY-ZDUSSCGKSA-N -1 0 331.393 3.596 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 ZINC000263432993 962608273 /nfs/dbraw/zinc/60/82/73/962608273.db2.gz NXZAVFMIIHWDSC-OAHLLOKOSA-N -1 0 341.407 3.758 20 0 EHADRM Cc1ccc(CN(C(=O)c2c(C)coc2CC(=O)[O-])C(C)C)s1 ZINC000263444123 962626851 /nfs/dbraw/zinc/62/68/51/962626851.db2.gz QJGAJRWYSZOPAS-UHFFFAOYSA-N -1 0 335.425 3.636 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000263444762 962628289 /nfs/dbraw/zinc/62/82/89/962628289.db2.gz QNSZNMULFLGSJQ-INIZCTEOSA-N -1 0 339.391 3.507 20 0 EHADRM O=C([O-])c1cccc(CN2CCO[C@@H](c3ccc(F)cc3Cl)C2)c1 ZINC000263448371 962633418 /nfs/dbraw/zinc/63/34/18/962633418.db2.gz YPXALYBRXBDRBY-QGZVFWFLSA-N -1 0 349.789 3.751 20 0 EHADRM CC(C)(C)NC(=O)c1ccc(NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000263449254 962633690 /nfs/dbraw/zinc/63/36/90/962633690.db2.gz ZAYOTZZTQFNGGX-UHFFFAOYSA-N -1 0 326.396 3.525 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)C(C)(C)c1ccccc1 ZINC001352986933 962644263 /nfs/dbraw/zinc/64/42/63/962644263.db2.gz DDTKQYWTNFOPQR-HOTGVXAUSA-N -1 0 346.471 3.639 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2c(C)coc2CC(=O)[O-])o1 ZINC000263472327 962658219 /nfs/dbraw/zinc/65/82/19/962658219.db2.gz YHPHXHLJQHROCC-RISCZKNCSA-N -1 0 345.395 3.730 20 0 EHADRM CC(C)c1cccc(-c2ccc(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)o2)c1 ZINC001588969590 962664908 /nfs/dbraw/zinc/66/49/08/962664908.db2.gz KLADGQNFMNOWLV-GASCZTMLSA-N -1 0 327.380 3.663 20 0 EHADRM CC(C)C[C@@H](CNC(=O)C1(Cc2ccccc2Cl)CC1)C(=O)[O-] ZINC000263483473 962668756 /nfs/dbraw/zinc/66/87/56/962668756.db2.gz BBKSCMFLNTUAMN-AWEZNQCLSA-N -1 0 337.847 3.526 20 0 EHADRM CC1(C)CCCC[C@H]1CC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000263482925 962669454 /nfs/dbraw/zinc/66/94/54/962669454.db2.gz BAGLJIMULSULPW-RDJZCZTQSA-N -1 0 329.440 3.804 20 0 EHADRM CC[C@H](CNC(=O)Nc1ccc(SC(F)(F)F)cc1)C(=O)[O-] ZINC001353972040 962688295 /nfs/dbraw/zinc/68/82/95/962688295.db2.gz GDZFCOFSVOAPGU-MRVPVSSYSA-N -1 0 336.335 3.531 20 0 EHADRM C[C@H](CCC(=O)N1CCc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000263524862 962705495 /nfs/dbraw/zinc/70/54/95/962705495.db2.gz JIFMNNBHGYUMAR-OAHLLOKOSA-N -1 0 337.419 3.853 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000263531256 962712153 /nfs/dbraw/zinc/71/21/53/962712153.db2.gz MLVYKWJEWUZQQI-SJLPKXTDSA-N -1 0 341.382 3.519 20 0 EHADRM C[C@@H](CCC(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000263545781 962721120 /nfs/dbraw/zinc/72/11/20/962721120.db2.gz UAFHHAATJBDBIH-AWEZNQCLSA-N -1 0 327.380 3.672 20 0 EHADRM CC(C)(NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1cccc(Cl)c1F ZINC000263578428 962744950 /nfs/dbraw/zinc/74/49/50/962744950.db2.gz SQILPXPDNSOWAU-QWRGUYRKSA-N -1 0 341.810 3.721 20 0 EHADRM COc1cc([C@@H](C)NC(=O)[C@]2(C(=O)[O-])CC2(C)C)cc2ccccc21 ZINC001574177454 962801413 /nfs/dbraw/zinc/80/14/13/962801413.db2.gz DWDJKCJJSNXFQO-ODXCJYRJSA-N -1 0 341.407 3.527 20 0 EHADRM COc1ccc([C@H](NC(=O)Nc2cccc(C(=O)[O-])c2)C2CC2)cc1 ZINC001574201685 962887659 /nfs/dbraw/zinc/88/76/59/962887659.db2.gz DSWPZLUOOPBLND-QGZVFWFLSA-N -1 0 340.379 3.666 20 0 EHADRM COc1ccc(CSCCOc2ccccc2C(=O)[O-])c(OC)c1 ZINC001574212943 962922385 /nfs/dbraw/zinc/92/23/85/962922385.db2.gz SWSYPHWSLBCDIA-UHFFFAOYSA-N -1 0 348.420 3.714 20 0 EHADRM O=C([O-])c1ccc(OC[C@@H]2CCC(F)(F)C2)c(Br)c1 ZINC000305999253 963174150 /nfs/dbraw/zinc/17/41/50/963174150.db2.gz NEWSSPMUOBYEJL-MRVPVSSYSA-N -1 0 335.144 3.962 20 0 EHADRM CC(C)(C)C[C@@H]1CCN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000307838055 963232246 /nfs/dbraw/zinc/23/22/46/963232246.db2.gz XKIJNXISVFDQEJ-JTQLQIEISA-N -1 0 340.370 3.953 20 0 EHADRM C[C@H]1CCCC[C@@]1(C)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000308412774 963272858 /nfs/dbraw/zinc/27/28/58/963272858.db2.gz DZFBVRYRIQLWDW-XXFAHNHDSA-N -1 0 326.343 3.753 20 0 EHADRM C[C@@H]1CCCC[C@]1(C)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000308412766 963273602 /nfs/dbraw/zinc/27/36/02/963273602.db2.gz DZFBVRYRIQLWDW-ABKXIKBNSA-N -1 0 326.343 3.753 20 0 EHADRM C[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1ncc(C(=O)[O-])s1 ZINC000315335635 963884287 /nfs/dbraw/zinc/88/42/87/963884287.db2.gz MZBDPHJUEDYORE-LURJTMIESA-N -1 0 327.749 3.576 20 0 EHADRM C[C@H](NC(=O)NCCCCCC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000316655396 964037828 /nfs/dbraw/zinc/03/78/28/964037828.db2.gz QRIOYRJQDLEVJH-JTQLQIEISA-N -1 0 347.242 3.999 20 0 EHADRM COc1cc(NCc2ccc(C(=O)[O-])s2)c(OC)cc1Cl ZINC000232429958 967741021 /nfs/dbraw/zinc/74/10/21/967741021.db2.gz SGFWASWHJDFANY-UHFFFAOYSA-N -1 0 327.789 3.729 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1cccc(Br)c1F ZINC000236472548 967776999 /nfs/dbraw/zinc/77/69/99/967776999.db2.gz OVZRVRDGIOLIRK-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM Cc1ccc(OCCCC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1C ZINC000237711265 967783932 /nfs/dbraw/zinc/78/39/32/967783932.db2.gz BUIVSDQRRDPPAE-QGZVFWFLSA-N -1 0 347.455 3.708 20 0 EHADRM CC(C)[C@@H](NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[O-] ZINC000243456569 967789156 /nfs/dbraw/zinc/78/91/56/967789156.db2.gz NGJXVKWORLDKHB-SNVBAGLBSA-N -1 0 338.713 3.590 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])c(OCc2ccccc2)c1 ZINC000262148722 967810367 /nfs/dbraw/zinc/81/03/67/967810367.db2.gz PCUYXAKNDOCBNA-HZPDHXFCSA-N -1 0 339.391 3.623 20 0 EHADRM CC(C)(CCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000263002715 967836410 /nfs/dbraw/zinc/83/64/10/967836410.db2.gz MKVZDNAVMURKNP-NWDGAFQWSA-N -1 0 344.238 3.714 20 0 EHADRM Cc1cc(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)c(Cl)cc1F ZINC000319493201 967999715 /nfs/dbraw/zinc/99/97/15/967999715.db2.gz ZTQGVNPAZHANEM-SNVBAGLBSA-N -1 0 328.771 3.506 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2cccc3c2CCCC3)C1 ZINC000324950979 968034894 /nfs/dbraw/zinc/03/48/94/968034894.db2.gz BJTWMVAXEAEXIA-IBGZPJMESA-N -1 0 330.428 3.674 20 0 EHADRM CC[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccsc2Br)C1 ZINC000388746230 968157265 /nfs/dbraw/zinc/15/72/65/968157265.db2.gz MCLVVJYXXVSRLN-ZDUSSCGKSA-N -1 0 332.263 3.587 20 0 EHADRM CC(C)[C@H](NC(=O)N(C)CCCC(=O)[O-])c1ccc(Cl)cc1F ZINC000414648947 968341940 /nfs/dbraw/zinc/34/19/40/968341940.db2.gz VDONGGGAJIKGCW-HNNXBMFYSA-N -1 0 344.814 3.682 20 0 EHADRM C[C@@H]1CCCN(Cc2csc(-c3ccc(F)cc3)n2)[C@@H]1C(=O)[O-] ZINC000424276389 968355915 /nfs/dbraw/zinc/35/59/15/968355915.db2.gz YJVNPLVWPPQNSD-ABAIWWIYSA-N -1 0 334.416 3.634 20 0 EHADRM C[C@H](NC(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1)C(=O)[O-] ZINC000517194779 968392132 /nfs/dbraw/zinc/39/21/32/968392132.db2.gz COHRHTFSSHNDAC-NSHDSACASA-N -1 0 348.786 3.514 20 0 EHADRM CC[C@H](NC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000567468164 968432965 /nfs/dbraw/zinc/43/29/65/968432965.db2.gz BDADXURYMVLTSQ-DFBGVHRSSA-N -1 0 338.835 3.543 20 0 EHADRM CCSc1ccccc1C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000572915907 968451475 /nfs/dbraw/zinc/45/14/75/968451475.db2.gz JOXVZVPQGBWFBS-IBGZPJMESA-N -1 0 343.448 3.571 20 0 EHADRM O=C([O-])C1(C(=O)NCCC(c2ccccc2)c2ccccc2)CCC1 ZINC000573802928 968453853 /nfs/dbraw/zinc/45/38/53/968453853.db2.gz LMEYIVJZSPUXGS-UHFFFAOYSA-N -1 0 337.419 3.580 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)c1c(F)ccc(F)c1Cl)C(=O)[O-] ZINC000621706452 968511851 /nfs/dbraw/zinc/51/18/51/968511851.db2.gz UTFXWHMNMMICTR-SNVBAGLBSA-N -1 0 333.762 3.628 20 0 EHADRM CCc1ccc([C@H](NC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)C(C)C)cc1 ZINC000626745562 968514394 /nfs/dbraw/zinc/51/43/94/968514394.db2.gz VVXJPBCOLSVQPC-BMGDILEWSA-N -1 0 346.471 3.698 20 0 EHADRM C[C@@H]1CN(C(=O)N[C@H]2CCC(C)(C)c3ccccc32)CC[C@H]1C(=O)[O-] ZINC000626749303 968515995 /nfs/dbraw/zinc/51/59/95/968515995.db2.gz BHJCQPMHDJTDQB-CPUCHLNUSA-N -1 0 344.455 3.551 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(OC3CCCC3)cc2)CC[C@@H]1C(=O)[O-] ZINC000630556232 968535731 /nfs/dbraw/zinc/53/57/31/968535731.db2.gz CQBBSOBWZPCUCS-DYVFJYSZSA-N -1 0 346.427 3.583 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(OC3CCCC3)cc2)CC[C@H]1C(=O)[O-] ZINC000630556231 968535737 /nfs/dbraw/zinc/53/57/37/968535737.db2.gz CQBBSOBWZPCUCS-CXAGYDPISA-N -1 0 346.427 3.583 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)Cc1coc2ccc3ccccc3c12 ZINC000653315103 968656212 /nfs/dbraw/zinc/65/62/12/968656212.db2.gz SORQPZAIOAWFSN-MLGOLLRUSA-N -1 0 337.375 3.593 20 0 EHADRM C[C@H](NC(=O)CC(C)(C)c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655579916 968685909 /nfs/dbraw/zinc/68/59/09/968685909.db2.gz BFEPSSACSHZRLF-CWRNSKLLSA-N -1 0 331.456 3.606 20 0 EHADRM C[C@@H](NC(=O)[C@@]1(c2ccccc2)CC1(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000659767528 968747145 /nfs/dbraw/zinc/74/71/45/968747145.db2.gz QOMTZWIMRNQASZ-TVQYVCPQSA-N -1 0 343.467 3.606 20 0 EHADRM Cc1sc(NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)nc1-c1ccccc1 ZINC000663079440 968789519 /nfs/dbraw/zinc/78/95/19/968789519.db2.gz IUVQAQGYZIWLAK-QGZVFWFLSA-N -1 0 330.409 3.558 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1cccc(OC(F)F)c1)CC(=O)[O-] ZINC000663340249 968833951 /nfs/dbraw/zinc/83/39/51/968833951.db2.gz MLCZRAVYLCZLGF-NSHDSACASA-N -1 0 344.358 3.547 20 0 EHADRM CC(C)c1ncsc1NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000846798843 969258774 /nfs/dbraw/zinc/25/87/74/969258774.db2.gz VGYQHUAYFTVSKI-GARJFASQSA-N -1 0 339.461 3.523 20 0 EHADRM COc1cc(C)cc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)c1C ZINC000901640984 969455420 /nfs/dbraw/zinc/45/54/20/969455420.db2.gz YUFCECKXUNYEAY-HNNXBMFYSA-N -1 0 339.391 3.531 20 0 EHADRM CC(C)(NC(=O)CCCCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000902697736 969556708 /nfs/dbraw/zinc/55/67/08/969556708.db2.gz AFSWEGJXGAGLRC-UHFFFAOYSA-N -1 0 331.334 3.702 20 0 EHADRM O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1cc(O)cc(C(F)(F)F)c1 ZINC000903697174 969590727 /nfs/dbraw/zinc/59/07/27/969590727.db2.gz DXTFWIXNEFSBEU-CYBMUJFWSA-N -1 0 331.334 3.630 20 0 EHADRM CC(C)[C@H](NC(=O)Nc1ccc(SC(F)(F)F)cc1)C(=O)[O-] ZINC001321111078 969700340 /nfs/dbraw/zinc/70/03/40/969700340.db2.gz OZBACXURXJSYFL-JTQLQIEISA-N -1 0 336.335 3.529 20 0 EHADRM O=C([O-])CCCCCNC(=O)N1C[C@H]2CCCC[C@]21c1ccccc1 ZINC001325302327 969701760 /nfs/dbraw/zinc/70/17/60/969701760.db2.gz AGIALWVKUXMWJY-XLIONFOSSA-N -1 0 344.455 3.742 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc3ccc(Cl)cc3n2)C1 ZINC001342720097 969755758 /nfs/dbraw/zinc/75/57/58/969755758.db2.gz AGGBLGVBYYEZJE-SFHVURJKSA-N -1 0 346.814 3.605 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(SC3CC3)cc2)C1 ZINC001589604970 969956797 /nfs/dbraw/zinc/95/67/97/969956797.db2.gz ZHDXOHVHDBPSPB-SFHVURJKSA-N -1 0 333.453 3.658 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)c1nc(-c2ccccc2)oc1C1CC1 ZINC001606547100 970318414 /nfs/dbraw/zinc/31/84/14/970318414.db2.gz CEIQKVXJFDAJIC-UHFFFAOYSA-N -1 0 349.346 3.565 20 0 EHADRM CCCc1sc(C(=O)N[C@@H](C(=O)[O-])c2cccs2)cc1CC ZINC000317193542 970337209 /nfs/dbraw/zinc/33/72/09/970337209.db2.gz KMDCPUDMJUCYRM-CQSZACIVSA-N -1 0 337.466 3.880 20 0 EHADRM CCCc1sc(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)cc1CC ZINC000317743454 970384332 /nfs/dbraw/zinc/38/43/32/970384332.db2.gz NKJGWMDQFWNBJJ-CQSZACIVSA-N -1 0 325.474 3.882 20 0 EHADRM C[C@H](CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])c1nccs1 ZINC000319146741 970507081 /nfs/dbraw/zinc/50/70/81/970507081.db2.gz QXUTZPSTZPQVEW-SSDOTTSWSA-N -1 0 341.776 3.619 20 0 EHADRM Cc1ccc(Cl)c(OCC(=O)Nc2cc(C(=O)[O-])ccc2F)c1 ZINC000319936828 970591619 /nfs/dbraw/zinc/59/16/19/970591619.db2.gz RYDUZNTXJPMALI-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)N[C@H]2CCCc3sccc32)cc1 ZINC000320262365 970639710 /nfs/dbraw/zinc/63/97/10/970639710.db2.gz KAFLPNAHYXIJBT-AWEZNQCLSA-N -1 0 330.409 3.574 20 0 EHADRM COc1cc(Cl)c(C)cc1NC(=O)NCCCCCCC(=O)[O-] ZINC000320435279 970663875 /nfs/dbraw/zinc/66/38/75/970663875.db2.gz BWMYUFWMCDOWSH-UHFFFAOYSA-N -1 0 342.823 3.814 20 0 EHADRM CSc1ccc(C)c(C(=O)NCC2(CC(=O)[O-])CCCCC2)c1 ZINC000320495548 970671367 /nfs/dbraw/zinc/67/13/67/970671367.db2.gz HRSRPQXLDGJPGM-UHFFFAOYSA-N -1 0 335.469 3.872 20 0 EHADRM CCCCCC[C@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000320619345 970686430 /nfs/dbraw/zinc/68/64/30/970686430.db2.gz ZFDKVVSDAVBRTO-NSHDSACASA-N -1 0 347.864 3.675 20 0 EHADRM Cc1ccc(NC(=O)COc2ccc(F)cc2Cl)c(C(=O)[O-])c1 ZINC000320686326 970698560 /nfs/dbraw/zinc/69/85/60/970698560.db2.gz PQDBGOKKFLZRBM-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM CC(C)c1csc(NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)n1 ZINC000321330575 970762762 /nfs/dbraw/zinc/76/27/62/970762762.db2.gz PIKSILICVOWOQO-UHFFFAOYSA-N -1 0 333.413 3.629 20 0 EHADRM C[C@@H](c1ccc(C(=O)Nc2cncc(C(=O)[O-])c2)cc1)C(F)(F)F ZINC001603287486 972534999 /nfs/dbraw/zinc/53/49/99/972534999.db2.gz YHGMVUJOLBBVFZ-VIFPVBQESA-N -1 0 338.285 3.698 20 0 EHADRM CSc1ccc(CCC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001604964744 972552622 /nfs/dbraw/zinc/55/26/22/972552622.db2.gz CSFRQNAGSSPRKY-OAHLLOKOSA-N -1 0 337.485 3.737 20 0 EHADRM CC(C)CCCCCCNC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000393034951 972558064 /nfs/dbraw/zinc/55/80/64/972558064.db2.gz PSNVNIKIPLMXBO-SFHVURJKSA-N -1 0 346.471 3.987 20 0 EHADRM CSc1cccc(F)c1C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001604971717 972564109 /nfs/dbraw/zinc/56/41/09/972564109.db2.gz KWUDQUDFNQJYJG-NSHDSACASA-N -1 0 327.421 3.557 20 0 EHADRM CSc1ccc([C@@H](C)NC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)cc1 ZINC001604971738 972564578 /nfs/dbraw/zinc/56/45/78/972564578.db2.gz MDEJECVGZKUSDU-LLVKDONJSA-N -1 0 335.469 3.723 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2ccc(Cl)cc2-n2cccc2)CCCC1 ZINC001605851774 972597398 /nfs/dbraw/zinc/59/73/98/972597398.db2.gz QKDZYDCPOBFQKK-UHFFFAOYSA-N -1 0 347.802 3.650 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCC1(c2cccs2)CCCCC1 ZINC001603323080 972655628 /nfs/dbraw/zinc/65/56/28/972655628.db2.gz VEAAFXRZZHBMKO-SFHVURJKSA-N -1 0 335.469 3.567 20 0 EHADRM CC1(C)CCCC[C@@H]1NC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001603328717 972681206 /nfs/dbraw/zinc/68/12/06/972681206.db2.gz BQDLSYHGXVAANI-OAGGEKHMSA-N -1 0 330.428 3.568 20 0 EHADRM CC1(C)CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C[C@H]1c1ccccc1 ZINC001603328714 972681428 /nfs/dbraw/zinc/68/14/28/972681428.db2.gz BPAVRGLFBMSJRT-BBWFWOEESA-N -1 0 329.440 3.530 20 0 EHADRM CC1(C)CCc2ccccc2[C@H](NC(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC001603329144 972688426 /nfs/dbraw/zinc/68/84/26/972688426.db2.gz ANWRUQYJKQMJEH-QGZVFWFLSA-N -1 0 338.407 3.613 20 0 EHADRM CC1(C)CCc2nc(NC(=O)c3coc(/C=C\C(=O)[O-])c3)sc2C1 ZINC001603329611 972696749 /nfs/dbraw/zinc/69/67/49/972696749.db2.gz UMURTLHHWWLPMG-ARJAWSKDSA-N -1 0 346.408 3.601 20 0 EHADRM O=C([O-])C1(C(=O)NCC(F)(F)c2ccc(Cl)cc2)CCCCC1 ZINC001605922669 972809312 /nfs/dbraw/zinc/80/93/12/972809312.db2.gz GCZFEAIQRCDIBO-UHFFFAOYSA-N -1 0 345.773 3.583 20 0 EHADRM C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC001603356157 972811519 /nfs/dbraw/zinc/81/15/19/972811519.db2.gz XDZFSDFBPKMZPD-CMPLNLGQSA-N -1 0 344.333 3.508 20 0 EHADRM Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)[C@@H](C(=O)[O-])C(C)C ZINC001605141330 972817730 /nfs/dbraw/zinc/81/77/30/972817730.db2.gz VRKPAGGYQSSQDF-KRWDZBQOSA-N -1 0 333.472 3.616 20 0 EHADRM O=C([O-])c1cnc(Oc2cc(C(F)(F)F)ccc2F)c([N+](=O)[O-])c1 ZINC000396363540 972867444 /nfs/dbraw/zinc/86/74/44/972867444.db2.gz MSYZSRPTBWVSMC-UHFFFAOYSA-N -1 0 346.192 3.638 20 0 EHADRM Cc1oc(Br)cc1-c1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000396483338 972902889 /nfs/dbraw/zinc/90/28/89/972902889.db2.gz YMQMZNXCKGMLMK-UHFFFAOYSA-N -1 0 349.140 3.766 20 0 EHADRM C[C@@H]1C[C@H](NC(=O)C2(CC(=O)[O-])CCC2)C[C@@H](c2ccccc2)C1 ZINC001603375276 972920059 /nfs/dbraw/zinc/92/00/59/972920059.db2.gz OFBXMFNOCNNRLK-XIRDDKMYSA-N -1 0 329.440 3.720 20 0 EHADRM Cc1cc(NC(=O)N[C@@H]2CC=CC[C@H]2C(F)(F)F)ccc1C(=O)[O-] ZINC001605201899 972937058 /nfs/dbraw/zinc/93/70/58/972937058.db2.gz FDDZRBVMNTUNRI-CHWSQXEVSA-N -1 0 342.317 3.712 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)CC(F)(F)F ZINC000396960302 972955229 /nfs/dbraw/zinc/95/52/29/972955229.db2.gz ZFEXMWRIMMALPU-ZETCQYMHSA-N -1 0 338.713 3.748 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001603383210 972977769 /nfs/dbraw/zinc/97/77/69/972977769.db2.gz QKKFPYIDXBWESK-WIZAYZPVSA-N -1 0 342.439 3.662 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1ccccc1OC1CCCC1 ZINC001603388881 972995925 /nfs/dbraw/zinc/99/59/25/972995925.db2.gz SHSWPPVSJBLSGX-ZIAGYGMSSA-N -1 0 346.427 3.725 20 0 EHADRM C[C@H](NCc1csc(Br)c1)c1ncc(C(=O)[O-])s1 ZINC000397386955 972995902 /nfs/dbraw/zinc/99/59/02/972995902.db2.gz IJNAAQVLQJFVJT-LURJTMIESA-N -1 0 347.259 3.516 20 0 EHADRM Cc1ccc(C(=O)CC(C)(C)CC(=O)NCCC(C)(C)C(=O)[O-])cc1 ZINC001605245072 973010282 /nfs/dbraw/zinc/01/02/82/973010282.db2.gz VHLCMHSCQWAFTP-UHFFFAOYSA-N -1 0 347.455 3.601 20 0 EHADRM C[C@@H]1CCCN(C(=O)CCc2c(Cl)cccc2Cl)[C@@H]1C(=O)[O-] ZINC001603407655 973071952 /nfs/dbraw/zinc/07/19/52/973071952.db2.gz NJWOYPSGFAGJOD-BMIGLBTASA-N -1 0 344.238 3.638 20 0 EHADRM O=C([O-])[C@@H]1CCN(Cc2ccc(-c3ccccn3)nc2)c2ccccc21 ZINC001606016041 973109571 /nfs/dbraw/zinc/10/95/71/973109571.db2.gz QWGXPNOHWAJJQY-QGZVFWFLSA-N -1 0 345.402 3.722 20 0 EHADRM Cc1ccc(SC[C@H](C)NC(=O)C2(C(=O)[O-])CCCCC2)cc1 ZINC001605307298 973124650 /nfs/dbraw/zinc/12/46/50/973124650.db2.gz OOMISEUNLPAVCE-AWEZNQCLSA-N -1 0 335.469 3.627 20 0 EHADRM Cc1cccc(C)c1OC[C@@H](C)NC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001605335951 973223529 /nfs/dbraw/zinc/22/35/29/973223529.db2.gz VQVGPORAQHGLFL-MRXNPFEDSA-N -1 0 347.455 3.612 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)CCSc1ccc(Cl)cc1)C(=O)[O-] ZINC000400498840 973290575 /nfs/dbraw/zinc/29/05/75/973290575.db2.gz MOJLUMIAEYEQKI-FZMZJTMJSA-N -1 0 343.876 3.828 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)[nH]1 ZINC000401247040 973345720 /nfs/dbraw/zinc/34/57/20/973345720.db2.gz ZCNXSRFJIPAYSH-UHFFFAOYSA-N -1 0 348.664 3.517 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000401311577 973354942 /nfs/dbraw/zinc/35/49/42/973354942.db2.gz DTLWCZKEDZBUNW-ZETCQYMHSA-N -1 0 339.697 3.678 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Nc1ccccc1-c1ncco1 ZINC001606118222 973357218 /nfs/dbraw/zinc/35/72/18/973357218.db2.gz LCJLIJYGQANKII-CYBMUJFWSA-N -1 0 343.383 3.593 20 0 EHADRM C[C@H]1O[C@@H](C)Cc2c(C(=O)[O-])c(NC(=O)CCc3ccoc3)sc21 ZINC001603475103 973362815 /nfs/dbraw/zinc/36/28/15/973362815.db2.gz JEUMOUZDDYGTMF-VHSXEESVSA-N -1 0 349.408 3.633 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1 ZINC001606123250 973365832 /nfs/dbraw/zinc/36/58/32/973365832.db2.gz WQMXROMRECUESO-YLFCFFPRSA-N -1 0 336.476 3.632 20 0 EHADRM Cc1nc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)sc1C ZINC001605398432 973383114 /nfs/dbraw/zinc/38/31/14/973383114.db2.gz QSKHSGFMQOURTA-UHFFFAOYSA-N -1 0 328.752 3.503 20 0 EHADRM O=C([O-])CCCC(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1 ZINC001606136903 973389086 /nfs/dbraw/zinc/38/90/86/973389086.db2.gz PJWWHFRYQTYUAC-UHFFFAOYSA-N -1 0 349.333 3.737 20 0 EHADRM CCC(C)(C)c1ccc(NC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)cc1 ZINC001603508319 973491529 /nfs/dbraw/zinc/49/15/29/973491529.db2.gz MHGBWBNIUJRZKV-BBRMVZONSA-N -1 0 333.428 3.583 20 0 EHADRM Cc1sccc1CC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001605467122 973570844 /nfs/dbraw/zinc/57/08/44/973570844.db2.gz RHIWWAQSPAALIG-UHFFFAOYSA-N -1 0 343.448 3.703 20 0 EHADRM CCC(CC)(CNC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1)C(=O)[O-] ZINC001603532358 973582993 /nfs/dbraw/zinc/58/29/93/973582993.db2.gz RBIRMBKYRJFVKY-SJORKVTESA-N -1 0 331.456 3.653 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccccc1C(=O)[O-])c1ccccc1OC ZINC001603582991 973746919 /nfs/dbraw/zinc/74/69/19/973746919.db2.gz WDJQRPFCTQRRSE-CQSZACIVSA-N -1 0 328.368 3.666 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CCc2ccccc2[C@@H](C)C1 ZINC000404817008 973752271 /nfs/dbraw/zinc/75/22/71/973752271.db2.gz CBGHGHHOHJTNDO-AWEZNQCLSA-N -1 0 338.407 3.887 20 0 EHADRM CC[C@H](Sc1nc2cc(Cl)ccc2c(=O)n1C(C)C)C(=O)[O-] ZINC001603592733 973793211 /nfs/dbraw/zinc/79/32/11/973793211.db2.gz NCEWFYKYHOOWDA-LBPRGKRZSA-N -1 0 340.832 3.586 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)[C@H](C)c2cc3ccccc3o2)C1 ZINC001603594041 973815274 /nfs/dbraw/zinc/81/52/74/973815274.db2.gz NUMGYZSIDGZRDQ-YJYMSZOUSA-N -1 0 329.396 3.640 20 0 EHADRM CCC1(CC)CCCN(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1 ZINC001603612056 973893096 /nfs/dbraw/zinc/89/30/96/973893096.db2.gz WXHIUNWVXWZADX-SOUVJXGZSA-N -1 0 338.492 3.734 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)NCCCCCC(=O)[O-] ZINC000414625162 973942220 /nfs/dbraw/zinc/94/22/20/973942220.db2.gz YKGQYMCEPBXTBE-CYBMUJFWSA-N -1 0 332.400 3.746 20 0 EHADRM CC[C@H]1c2ccccc2CCN1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001603628087 973943105 /nfs/dbraw/zinc/94/31/05/973943105.db2.gz CORBDRNRUOOFCK-SFHVURJKSA-N -1 0 338.407 3.604 20 0 EHADRM O=C([O-])CCCCCNC(=O)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000414626782 973943884 /nfs/dbraw/zinc/94/38/84/973943884.db2.gz MEXPKTVAOPBKFH-BCDXTJNWSA-N -1 0 344.455 3.752 20 0 EHADRM CCc1nn(C)c(CC)c1CNc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000417632765 973967315 /nfs/dbraw/zinc/96/73/15/973967315.db2.gz WZDPEKHCCBPMQU-UHFFFAOYSA-N -1 0 329.444 3.519 20 0 EHADRM Cc1ccc(-c2cccnc2)cc1NC(=O)NCCCCCC(=O)[O-] ZINC000417799122 973968962 /nfs/dbraw/zinc/96/89/62/973968962.db2.gz SBDHRHSILHXWML-UHFFFAOYSA-N -1 0 341.411 3.824 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cc(-c3cccc(F)c3)no2)cc1 ZINC001606495055 973978967 /nfs/dbraw/zinc/97/89/67/973978967.db2.gz JZIZIBZWFWFJAN-UHFFFAOYSA-N -1 0 341.294 3.536 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000422559091 973995157 /nfs/dbraw/zinc/99/51/57/973995157.db2.gz QNGGOGKXLIEJEO-RBSFLKMASA-N -1 0 333.453 3.769 20 0 EHADRM CCCCCc1nnc(NC(=O)C2(C(=O)[O-])CCCCCC2)s1 ZINC001603645659 974000535 /nfs/dbraw/zinc/00/05/35/974000535.db2.gz SIHIWGJRWMAZMN-UHFFFAOYSA-N -1 0 339.461 3.635 20 0 EHADRM CCCCOc1cccc(NC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)c1 ZINC001603652669 974016238 /nfs/dbraw/zinc/01/62/38/974016238.db2.gz ZVIVLNNXLRJNRE-KGLIPLIRSA-N -1 0 334.416 3.583 20 0 EHADRM CCCCN(Cc1ccccc1F)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424397455 974028511 /nfs/dbraw/zinc/02/85/11/974028511.db2.gz KDFKZHFSDAKBNS-UHFFFAOYSA-N -1 0 338.423 3.638 20 0 EHADRM Cc1c2cccc(Cl)c2sc1CN[C@H](C(=O)[O-])c1ccnn1C ZINC000424617118 974038623 /nfs/dbraw/zinc/03/86/23/974038623.db2.gz HIZYVQHWWCWHAT-AWEZNQCLSA-N -1 0 349.843 3.512 20 0 EHADRM CCn1nc(CN[C@H](C(=O)[O-])c2cc(C)cc(C)c2)c2ccccc21 ZINC000426756497 974045992 /nfs/dbraw/zinc/04/59/92/974045992.db2.gz KKOHGJLIUOSZOE-IBGZPJMESA-N -1 0 337.423 3.589 20 0 EHADRM CCCN(CCC)c1ccc(NC(=O)C2(C(=O)[O-])CC=CC2)cc1 ZINC001603671659 974045905 /nfs/dbraw/zinc/04/59/05/974045905.db2.gz QYPJFETVOKUQLP-UHFFFAOYSA-N -1 0 330.428 3.673 20 0 EHADRM CCCN(Cc1c(F)cccc1Cl)C(=O)NC[C@@H](CC)C(=O)[O-] ZINC001603672716 974051143 /nfs/dbraw/zinc/05/11/43/974051143.db2.gz OUASFNPEEOBNFE-LLVKDONJSA-N -1 0 344.814 3.512 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)CSc1cccc2cccc(Cl)c21 ZINC000427729885 974057377 /nfs/dbraw/zinc/05/73/77/974057377.db2.gz CMVMTHNOXVJMDR-SNVBAGLBSA-N -1 0 337.828 3.565 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)CCC1CCC1)Cc1ccc2ccccc2c1 ZINC000431509955 974066738 /nfs/dbraw/zinc/06/67/38/974066738.db2.gz XHEXRYHVXQBREW-LJQANCHMSA-N -1 0 339.435 3.780 20 0 EHADRM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000432093190 974085033 /nfs/dbraw/zinc/08/50/33/974085033.db2.gz CFGLWYBCBPRQDX-VBKZILBWSA-N -1 0 337.419 3.757 20 0 EHADRM CN(Cc1ccc(Cl)c(F)c1)C(=O)c1ccc(C(=O)[O-])s1 ZINC000432099396 974085168 /nfs/dbraw/zinc/08/51/68/974085168.db2.gz QTBMREJIPKIAMB-UHFFFAOYSA-N -1 0 327.764 3.511 20 0 EHADRM C[C@H]1CCc2ccccc2[C@H]1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000432093192 974085225 /nfs/dbraw/zinc/08/52/25/974085225.db2.gz CFGLWYBCBPRQDX-XOBRGWDASA-N -1 0 337.419 3.757 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])cc1 ZINC000432090384 974085563 /nfs/dbraw/zinc/08/55/63/974085563.db2.gz RHXAKCSYYSSQBT-DNVCBOLYSA-N -1 0 333.428 3.627 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCCc2ccc3c(c2)CCCC3)nc1 ZINC001605675904 974085749 /nfs/dbraw/zinc/08/57/49/974085749.db2.gz BXDNKBIXSPHREH-UHFFFAOYSA-N -1 0 338.407 3.620 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000432111386 974087829 /nfs/dbraw/zinc/08/78/29/974087829.db2.gz KJNYKAQCKUYLEO-UHFFFAOYSA-N -1 0 348.358 3.753 20 0 EHADRM Cc1ccc2c(CC(=O)N[C@]3(C)CCCC[C@H]3C(=O)[O-])coc2c1C ZINC000432120503 974088823 /nfs/dbraw/zinc/08/88/23/974088823.db2.gz ANWWDCVZMCOWEW-OXJNMPFZSA-N -1 0 343.423 3.742 20 0 EHADRM COc1ccc2nc(CN[C@H](C(=O)[O-])c3cccc(C)c3)sc2c1 ZINC001604850953 974090238 /nfs/dbraw/zinc/09/02/38/974090238.db2.gz FADYXACTCOHBKQ-KRWDZBQOSA-N -1 0 342.420 3.529 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])cc1 ZINC000432124712 974090552 /nfs/dbraw/zinc/09/05/52/974090552.db2.gz BLSPMPLXGVPONW-WIBUTAKZSA-N -1 0 331.456 3.892 20 0 EHADRM COc1cccc(C(F)F)c1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001604863459 974109323 /nfs/dbraw/zinc/10/93/23/974109323.db2.gz GKQSMOWXOAWBND-UHFFFAOYSA-N -1 0 335.306 3.512 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 ZINC000446910583 974124106 /nfs/dbraw/zinc/12/41/06/974124106.db2.gz BMEXVFKGFJDNRB-LBPRGKRZSA-N -1 0 330.428 3.791 20 0 EHADRM CCc1ccc(C(=O)N[C@@](C)(CC(=O)[O-])c2cccc(F)c2)cc1 ZINC000448990969 974130791 /nfs/dbraw/zinc/13/07/91/974130791.db2.gz AHADXPMGPKOLBC-IBGZPJMESA-N -1 0 329.371 3.508 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2sccc2C2CC2)C[C@@H]1c1ccccc1 ZINC000448992143 974132035 /nfs/dbraw/zinc/13/20/35/974132035.db2.gz KPCSYJCCZTUGSL-HZPDHXFCSA-N -1 0 341.432 3.566 20 0 EHADRM CCN(C(=O)Nc1cccc2c(Cl)c(C)cnc12)[C@@H](C)C(=O)[O-] ZINC001603716587 974144437 /nfs/dbraw/zinc/14/44/37/974144437.db2.gz QBKZUGCJGUNLEZ-JTQLQIEISA-N -1 0 335.791 3.524 20 0 EHADRM Cc1cccc(NC(=O)c2cc(Br)cc(C(=O)[O-])c2)c1 ZINC000462899394 974187729 /nfs/dbraw/zinc/18/77/29/974187729.db2.gz YCMMQNYSZJTMBF-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM CC(C)Nc1ccc(F)cc1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000478861206 974213453 /nfs/dbraw/zinc/21/34/53/974213453.db2.gz WZNDWWIZPUZRKY-UHFFFAOYSA-N -1 0 334.322 3.736 20 0 EHADRM C[C@@H](CC1CCCCC1)C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000486021972 974244081 /nfs/dbraw/zinc/24/40/81/974244081.db2.gz WYKFEKYJDQYTMR-KBXCAEBGSA-N -1 0 329.440 3.804 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CCCCC1 ZINC000532000101 974369796 /nfs/dbraw/zinc/36/97/96/974369796.db2.gz AXBBBZHTLATAGC-CABCVRRESA-N -1 0 335.831 3.737 20 0 EHADRM CCCCC1CCC(NC(=O)c2cccc(OCC(=O)[O-])c2)CC1 ZINC000537368972 974381940 /nfs/dbraw/zinc/38/19/40/974381940.db2.gz PZKNXPLZQNLOPO-UHFFFAOYSA-N -1 0 333.428 3.629 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)CC/C=C/c1ccccc1)CC2 ZINC000537475657 974385529 /nfs/dbraw/zinc/38/55/29/974385529.db2.gz QTHYXGVLFDGMCF-XBXARRHUSA-N -1 0 335.403 3.763 20 0 EHADRM Cc1cc(NC(=O)Cc2cccc(C(=O)[O-])c2)ccc1Br ZINC000538576424 974390823 /nfs/dbraw/zinc/39/08/23/974390823.db2.gz KOKZKXITNNCZLR-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM Cc1ccc(CC(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])cc1C ZINC000540676110 974405408 /nfs/dbraw/zinc/40/54/08/974405408.db2.gz OEAPYVAPORUJPJ-KRWDZBQOSA-N -1 0 339.435 3.595 20 0 EHADRM O=C([O-])c1cccc(CC(=O)NC2(c3ccc(Cl)cc3)CCC2)c1 ZINC000553934792 974480018 /nfs/dbraw/zinc/48/00/18/974480018.db2.gz KMBZTZKLDWJOMR-UHFFFAOYSA-N -1 0 343.810 3.776 20 0 EHADRM CCc1oc2ccccc2c1C(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001603997432 974499765 /nfs/dbraw/zinc/49/97/65/974499765.db2.gz CGQZXGVAPYUYPP-QGZVFWFLSA-N -1 0 341.338 3.690 20 0 EHADRM CCC[C@H]1CN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CCO1 ZINC000563279905 974525918 /nfs/dbraw/zinc/52/59/18/974525918.db2.gz IABMKKQQPQFVAK-SMDDNHRTSA-N -1 0 332.227 3.620 20 0 EHADRM Cc1cc(CN2C[C@@H](c3cccc(Cl)c3)OC[C@@H]2C)oc1C(=O)[O-] ZINC000564091824 974543636 /nfs/dbraw/zinc/54/36/36/974543636.db2.gz DDMRQKZIALTBSM-LRDDRELGSA-N -1 0 349.814 3.902 20 0 EHADRM CC(C)c1nc(N2CCC3(C[C@H]3C(=O)[O-])CC2)cc(C(C)(C)C)n1 ZINC000565042550 974565672 /nfs/dbraw/zinc/56/56/72/974565672.db2.gz XKUGOVCPOBMWPP-ZDUSSCGKSA-N -1 0 331.460 3.589 20 0 EHADRM CCCC[C@H](Sc1cc(CC)nc(-c2ccccn2)n1)C(=O)[O-] ZINC000566490907 974612518 /nfs/dbraw/zinc/61/25/18/974612518.db2.gz LNGRPXQGOVRYNC-AWEZNQCLSA-N -1 0 331.441 3.837 20 0 EHADRM C[C@H](CN(C)[C@H](C(=O)[O-])c1c(F)cccc1Cl)c1nccs1 ZINC000566921104 974624498 /nfs/dbraw/zinc/62/44/98/974624498.db2.gz WOJCZSNVUZYWNN-RNCFNFMXSA-N -1 0 342.823 3.797 20 0 EHADRM CCn1c(CN[C@H](C(=O)[O-])c2cc(C)cc(C)c2)nc2ccccc21 ZINC000567171345 974628416 /nfs/dbraw/zinc/62/84/16/974628416.db2.gz IYUVHMDJEAPHTJ-IBGZPJMESA-N -1 0 337.423 3.589 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)NCC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000567291364 974631480 /nfs/dbraw/zinc/63/14/80/974631480.db2.gz YXQLAASXGAHDPG-NSHDSACASA-N -1 0 345.361 3.600 20 0 EHADRM O=C([O-])c1cc(CN2CCO[C@H](c3cccc(Cl)c3)C2)cs1 ZINC000568067964 974660299 /nfs/dbraw/zinc/66/02/99/974660299.db2.gz CHTTVEJJNLRCAB-AWEZNQCLSA-N -1 0 337.828 3.673 20 0 EHADRM Cc1cccc(-c2cncc(C(=O)N(C)[C@@H](CC(C)C)C(=O)[O-])c2)c1 ZINC000568286094 974666413 /nfs/dbraw/zinc/66/64/13/974666413.db2.gz RWURULWGSOTNMU-SFHVURJKSA-N -1 0 340.423 3.628 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000569384071 974691170 /nfs/dbraw/zinc/69/11/70/974691170.db2.gz JJDRXPSIHQPCOR-OXQOHEQNSA-N -1 0 331.456 3.752 20 0 EHADRM CCCC[C@H](Sc1cc(-c2ccccc2)nc2ncnn21)C(=O)[O-] ZINC000571539227 974731633 /nfs/dbraw/zinc/73/16/33/974731633.db2.gz VISVJNZXNFUDET-AWEZNQCLSA-N -1 0 342.424 3.527 20 0 EHADRM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000573221561 974762131 /nfs/dbraw/zinc/76/21/31/974762131.db2.gz IDALUKNEOGXYLS-MEDUHNTESA-N -1 0 335.787 3.766 20 0 EHADRM C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1Cc1cc(C(=O)[O-])co1 ZINC000573572507 974767809 /nfs/dbraw/zinc/76/78/09/974767809.db2.gz ZLLNFZVMWNKRKW-BZNIZROVSA-N -1 0 335.787 3.593 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1[C@@H]2CC[C@H]1CC(C)C2)C(=O)[O-] ZINC000575196247 974797505 /nfs/dbraw/zinc/79/75/05/974797505.db2.gz HBIOXBKBAQFAOQ-PBNFFQIGSA-N -1 0 333.453 3.655 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@H]2CCCc3ccccc32)cc1C ZINC000107963405 1014218904 /nfs/dbraw/zinc/21/89/04/1014218904.db2.gz AJGCALHRNFTCMT-YADARESESA-N -1 0 341.476 3.605 20 0 EHADRM Cc1ccc([C@H]2COCCN2Cc2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC000579240239 974871608 /nfs/dbraw/zinc/87/16/08/974871608.db2.gz GORUEOFYCQJGGY-OAHLLOKOSA-N -1 0 335.787 3.513 20 0 EHADRM CC1CC(C(=O)NC2CCC(C(=O)[O-])CC2)(c2cccc(Cl)c2)C1 ZINC000581322040 974908780 /nfs/dbraw/zinc/90/87/80/974908780.db2.gz HUELSPNNQAXQOJ-UHFFFAOYSA-N -1 0 349.858 3.767 20 0 EHADRM Cc1cc([C@H](C)N2CCO[C@@](C)(c3ccccc3)C2)oc1C(=O)[O-] ZINC000583636238 974943659 /nfs/dbraw/zinc/94/36/59/974943659.db2.gz OIDFDXLKIGPKDZ-IFXJQAMLSA-N -1 0 329.396 3.595 20 0 EHADRM C[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1cccs1)c1ccc(F)cc1 ZINC000615938833 975023436 /nfs/dbraw/zinc/02/34/36/975023436.db2.gz JRFYFZLHGRGDBL-SMDDNHRTSA-N -1 0 335.400 3.713 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)c1 ZINC000621536895 975027718 /nfs/dbraw/zinc/02/77/18/975027718.db2.gz HZSZCJWFVCFLMF-KRWDZBQOSA-N -1 0 348.402 3.886 20 0 EHADRM C[C@H](NC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1)c1ncc(C(=O)[O-])s1 ZINC000621610642 975059455 /nfs/dbraw/zinc/05/94/55/975059455.db2.gz NAJGVEWUTGHLCW-WOPDTQHZSA-N -1 0 338.473 3.871 20 0 EHADRM C[C@@H]1CC(F)(F)CCN1Cc1c(Br)cccc1C(=O)[O-] ZINC000629371425 975087255 /nfs/dbraw/zinc/08/72/55/975087255.db2.gz AXWNPWLCQQHNSS-SECBINFHSA-N -1 0 348.187 3.767 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)Cc1coc2cc(Cl)ccc12 ZINC000630123748 975110987 /nfs/dbraw/zinc/11/09/87/975110987.db2.gz DBHSQAKTFRAWAG-UHFFFAOYSA-N -1 0 337.803 3.588 20 0 EHADRM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000630127661 975113518 /nfs/dbraw/zinc/11/35/18/975113518.db2.gz UKZVQTVAMWNISJ-QWFCFKBJSA-N -1 0 349.430 3.608 20 0 EHADRM O=C([O-])CC1(NC(=O)CCc2ccc(C(F)F)cc2)CCCCC1 ZINC000630129465 975114886 /nfs/dbraw/zinc/11/48/86/975114886.db2.gz BHAGWNPLLWWOAB-UHFFFAOYSA-N -1 0 339.382 3.851 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)CC1CCC(F)(F)CC1)c1ccccc1 ZINC000630130467 975115576 /nfs/dbraw/zinc/11/55/76/975115576.db2.gz KCVKJAHAWXTRDY-BLLLJJGKSA-N -1 0 339.382 3.780 20 0 EHADRM CC[C@@H]1CCCC[C@H]1C(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC000630132751 975117870 /nfs/dbraw/zinc/11/78/70/975117870.db2.gz VFGUPNLEROKHLY-DGCLKSJQSA-N -1 0 335.400 3.557 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC000630135577 975120508 /nfs/dbraw/zinc/12/05/08/975120508.db2.gz PWKXNFLNXNEXMY-ROUUACIJSA-N -1 0 341.382 3.676 20 0 EHADRM C[C@@H](CC(=O)NCc1c2ccccc2sc1C(=O)[O-])C(F)(F)F ZINC000630137416 975121171 /nfs/dbraw/zinc/12/11/71/975121171.db2.gz PYOKJKDMAJOVAW-QMMMGPOBSA-N -1 0 345.342 3.804 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)CC(C1CCC1)C1CCC1)c1ccc(F)cc1 ZINC000630178941 975144843 /nfs/dbraw/zinc/14/48/43/975144843.db2.gz YFUYVGMFCYCLPD-SFHVURJKSA-N -1 0 347.430 3.717 20 0 EHADRM Cc1cc(C(F)F)oc1C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-] ZINC000630185189 975146879 /nfs/dbraw/zinc/14/68/79/975146879.db2.gz LIKVZMGLOGGDQM-NSHDSACASA-N -1 0 337.322 3.641 20 0 EHADRM COc1cccc(CN(CC(C)C)C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c1 ZINC000630226744 975174709 /nfs/dbraw/zinc/17/47/09/975174709.db2.gz FRIYGCKTZUZWSS-QAQDUYKDSA-N -1 0 347.455 3.571 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N(Cc2ccccc2Cl)CC2CC2)C1 ZINC000630229210 975177012 /nfs/dbraw/zinc/17/70/12/975177012.db2.gz UTWWMINNVOQEQA-LSDHHAIUSA-N -1 0 349.858 3.970 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC000630232047 975179159 /nfs/dbraw/zinc/17/91/59/975179159.db2.gz GJFCHUZOTPYAEW-INIZCTEOSA-N -1 0 339.435 3.589 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC000630235828 975182270 /nfs/dbraw/zinc/18/22/70/975182270.db2.gz IVEQHVZDDZXTMB-GFCCVEGCSA-N -1 0 344.411 3.933 20 0 EHADRM C[C@@H]1CCC[C@H](CC(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)C1 ZINC000630239598 975184205 /nfs/dbraw/zinc/18/42/05/975184205.db2.gz WPJOYJBFTMSDFM-OLZOCXBDSA-N -1 0 333.403 3.625 20 0 EHADRM CC[C@@H](CC(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1)C(C)C ZINC000630258092 975200979 /nfs/dbraw/zinc/20/09/79/975200979.db2.gz JKLQEARESTVQMQ-RYUDHWBXSA-N -1 0 325.380 3.688 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)CCCC(C)(C)C)cc1F)C(=O)[O-] ZINC000630258123 975201093 /nfs/dbraw/zinc/20/10/93/975201093.db2.gz JZTVARBZNKFXJO-NSHDSACASA-N -1 0 325.380 3.833 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2csc3ccccc23)[C@H]2CCC[C@@H]21 ZINC000630279628 975224724 /nfs/dbraw/zinc/22/47/24/975224724.db2.gz KFETVHUUVZXPHG-KYOSRNDESA-N -1 0 329.421 3.617 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)cc1 ZINC000630286074 975230278 /nfs/dbraw/zinc/23/02/78/975230278.db2.gz PRICRQICYHUFIW-IXDOHACOSA-N -1 0 345.439 3.579 20 0 EHADRM Cc1cccc(CN(Cc2ccco2)C(=O)C[C@H](C)CC(=O)[O-])c1 ZINC000630288829 975232293 /nfs/dbraw/zinc/23/22/93/975232293.db2.gz OVJXFYGQSBIQSD-HNNXBMFYSA-N -1 0 329.396 3.618 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NCC1C(C)(C)C1(C)C)C(=O)[O-] ZINC000630289899 975233088 /nfs/dbraw/zinc/23/30/88/975233088.db2.gz SUOVABFJTUQESL-NSHDSACASA-N -1 0 335.469 3.664 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000630291134 975233544 /nfs/dbraw/zinc/23/35/44/975233544.db2.gz LVHNRLPQYJTNMG-RBSFLKMASA-N -1 0 335.831 3.547 20 0 EHADRM CC[C@@H]1C[C@H]1NC(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000630303499 975240984 /nfs/dbraw/zinc/24/09/84/975240984.db2.gz ZMGCQTCAYWLPNJ-BXUZGUMPSA-N -1 0 345.420 3.798 20 0 EHADRM O=C([O-])C12CCC(CC1)N2C(=O)CSc1ccc2ccccc2c1 ZINC000630326643 975253628 /nfs/dbraw/zinc/25/36/28/975253628.db2.gz XEJUCINYZYMUDI-UHFFFAOYSA-N -1 0 341.432 3.540 20 0 EHADRM CC(C)(C)c1ncsc1C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000630328178 975255492 /nfs/dbraw/zinc/25/54/92/975255492.db2.gz KJQAKSPKKIHVAR-QWHCGFSZSA-N -1 0 344.436 3.881 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccsc2)cc1 ZINC000630330913 975258827 /nfs/dbraw/zinc/25/88/27/975258827.db2.gz TUODDKWYCZYLPT-CAOSSQGBSA-N -1 0 327.405 3.678 20 0 EHADRM Cc1cc(Cl)c(NC(=O)C[C@H](C)CC(=O)[O-])cc1Br ZINC000634842164 975278567 /nfs/dbraw/zinc/27/85/67/975278567.db2.gz IGCOQVYWSDHMAI-ZETCQYMHSA-N -1 0 348.624 3.850 20 0 EHADRM Cc1cc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)c2ccccc2n1 ZINC000642148515 975290130 /nfs/dbraw/zinc/29/01/30/975290130.db2.gz JZTFOCBMSHSKJM-OAHLLOKOSA-N -1 0 340.404 3.551 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N[C@@H](CC(=O)[O-])c2cccs2)o1 ZINC000642214724 975291762 /nfs/dbraw/zinc/29/17/62/975291762.db2.gz NSOHGHFHTRAXHC-XBFCOCLRSA-N -1 0 347.436 3.729 20 0 EHADRM O=C([O-])[C@@H]1CCN(Cc2ncccc2C(F)(F)F)c2ccccc21 ZINC000643055707 975296598 /nfs/dbraw/zinc/29/65/98/975296598.db2.gz OAYSNOXXQYJQQW-GFCCVEGCSA-N -1 0 336.313 3.679 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000644874492 975327117 /nfs/dbraw/zinc/32/71/17/975327117.db2.gz IWEVWGSBXGYEMP-WMZOPIPTSA-N -1 0 345.483 3.913 20 0 EHADRM CC(C)(CO)[C@H](CNc1ncc(C(=O)[O-])cc1Cl)c1ccccc1 ZINC000647451593 975363272 /nfs/dbraw/zinc/36/32/72/975363272.db2.gz ALKZXQPRDJDEJO-CQSZACIVSA-N -1 0 348.830 3.647 20 0 EHADRM C[C@@H](NCc1cscc1Br)c1ncc(C(=O)[O-])s1 ZINC000647650223 975372642 /nfs/dbraw/zinc/37/26/42/975372642.db2.gz SKEQWOUWPUXDKX-ZCFIWIBFSA-N -1 0 347.259 3.516 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)NC2(c3ccccc3Cl)CC2)cc1 ZINC000649255402 975394543 /nfs/dbraw/zinc/39/45/43/975394543.db2.gz CXAKLVIYTJYRRP-UHFFFAOYSA-N -1 0 343.810 3.776 20 0 EHADRM Cc1cc(NC(=O)NC2(CC(=O)[O-])CCC2)ccc1-c1ccncc1 ZINC000649544134 975428123 /nfs/dbraw/zinc/42/81/23/975428123.db2.gz KSYAGTKENVRZJP-UHFFFAOYSA-N -1 0 339.395 3.576 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCCC[C@H]2Cc2ccccc2F)C1 ZINC000652121754 975508090 /nfs/dbraw/zinc/50/80/90/975508090.db2.gz UROOYKYYYUNERQ-ZACQAIPSSA-N -1 0 347.430 3.640 20 0 EHADRM Cc1cc([C@@H](C)N2CCO[C@@H](c3ccccc3F)C2)oc1C(=O)[O-] ZINC000652408636 975523996 /nfs/dbraw/zinc/52/39/96/975523996.db2.gz IFEVVGHPGJJKIR-MLGOLLRUSA-N -1 0 333.359 3.560 20 0 EHADRM CC(C)(C)c1ccc(CNC(=O)c2cccc(CC(=O)[O-])c2)cc1 ZINC000653637257 975601215 /nfs/dbraw/zinc/60/12/15/975601215.db2.gz WLMUGPTTZYZWAO-UHFFFAOYSA-N -1 0 325.408 3.541 20 0 EHADRM C[C@H]1CN(C(=O)c2cccc(CC(=O)[O-])c2)CC[C@@H]1c1ccccc1 ZINC000653641742 975609391 /nfs/dbraw/zinc/60/93/91/975609391.db2.gz VXROAJHMGOJUSH-KXBFYZLASA-N -1 0 337.419 3.580 20 0 EHADRM CC(C)c1cccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000659117773 975713460 /nfs/dbraw/zinc/71/34/60/975713460.db2.gz MUGWBLLWJWYLDE-KRWDZBQOSA-N -1 0 329.371 3.895 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C1[C@H]2CCCCCC[C@H]12)c1ccc(F)cc1 ZINC000659118099 975714990 /nfs/dbraw/zinc/71/49/90/975714990.db2.gz UDKOEYJRNAYMLT-JYJNAYRXSA-N -1 0 333.403 3.674 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N(C)Cc1cccc(C(F)(F)F)c1 ZINC000659122508 975721759 /nfs/dbraw/zinc/72/17/59/975721759.db2.gz VSSYJMNYWZPSQV-UHFFFAOYSA-N -1 0 341.285 3.577 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)C1CCC(C2CC2)CC1)c1ccccc1 ZINC000659126070 975725607 /nfs/dbraw/zinc/72/56/07/975725607.db2.gz TUCCSZNSPLTQII-VJFUWPCTSA-N -1 0 329.440 3.925 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000659126736 975725905 /nfs/dbraw/zinc/72/59/05/975725905.db2.gz OHBUNBRBNPMZTL-SFHVURJKSA-N -1 0 345.826 3.795 20 0 EHADRM CC(C)OCc1ccc(NC(=O)c2cc(F)cc(C(=O)[O-])c2)cc1 ZINC001591735893 975730075 /nfs/dbraw/zinc/73/00/75/975730075.db2.gz YWDBYIGFWGZMAY-UHFFFAOYSA-N -1 0 331.343 3.701 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)C2(C(F)(F)F)CCCCC2)C1 ZINC000659145740 975745457 /nfs/dbraw/zinc/74/54/57/975745457.db2.gz RRXLNCFUZAQERE-LBPRGKRZSA-N -1 0 349.393 3.849 20 0 EHADRM CC(C)Oc1c(NC(=O)Cc2cc(F)ccc2F)cccc1C(=O)[O-] ZINC001591741554 975755780 /nfs/dbraw/zinc/75/57/80/975755780.db2.gz LSMSYTJJQVJLBW-UHFFFAOYSA-N -1 0 349.333 3.631 20 0 EHADRM CC[C@](CNC(=O)C(C)(C)CC(F)(F)F)(C(=O)[O-])c1ccccc1 ZINC000659158799 975757803 /nfs/dbraw/zinc/75/78/03/975757803.db2.gz MOPJNMWEZBNDDK-MRXNPFEDSA-N -1 0 345.361 3.514 20 0 EHADRM CCCCCc1cc(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)n[nH]1 ZINC000659160850 975760242 /nfs/dbraw/zinc/76/02/42/975760242.db2.gz NDLKHMWQAUFSMJ-GFCCVEGCSA-N -1 0 329.400 3.583 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C[C@@H]1c1ccccc1 ZINC000659161286 975760470 /nfs/dbraw/zinc/76/04/70/975760470.db2.gz USCFXLLLZDZLDI-ZRSRNVLSSA-N -1 0 341.451 3.530 20 0 EHADRM Cc1cccc(C)c1[C@@H]1CCCN1C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000659168523 975767236 /nfs/dbraw/zinc/76/72/36/975767236.db2.gz XDOMXNPKYLIJFT-ULQDDVLXSA-N -1 0 329.440 3.858 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N1CCC(C2CCC2)CC1)C(=O)[O-] ZINC000659169887 975769864 /nfs/dbraw/zinc/76/98/64/975769864.db2.gz LYHGCWNRLLBSTK-CYBMUJFWSA-N -1 0 347.480 3.904 20 0 EHADRM O=C([O-])c1ccc2c(c1)[C@@H](CNC(=O)CCc1ccsc1)CCC2 ZINC000659184537 975781213 /nfs/dbraw/zinc/78/12/13/975781213.db2.gz NBWINOWJBLCQAS-MRXNPFEDSA-N -1 0 343.448 3.615 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000659192066 975789849 /nfs/dbraw/zinc/78/98/49/975789849.db2.gz FBROKOGKTSOVDB-LEOABGAYSA-N -1 0 347.480 3.652 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCc2cccc(Cl)c2)[C@@H]2CCCC[C@H]12 ZINC000659194325 975794245 /nfs/dbraw/zinc/79/42/45/975794245.db2.gz LPNRQNOYIZEZQL-BRWVUGGUSA-N -1 0 349.858 3.765 20 0 EHADRM C[C@H](CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21)c1ccccc1F ZINC000659195612 975798342 /nfs/dbraw/zinc/79/83/42/975798342.db2.gz QAGQFPCTDJQZTR-NYCLONFESA-N -1 0 347.430 3.811 20 0 EHADRM CC(C)Oc1c(NCc2nc3c(o2)CCCC3)cccc1C(=O)[O-] ZINC001591752309 975812845 /nfs/dbraw/zinc/81/28/45/975812845.db2.gz SOLKDCOJWMNWPI-UHFFFAOYSA-N -1 0 330.384 3.651 20 0 EHADRM C[C@H](C(=O)NC[C@@H](CC(=O)[O-])C1CC1)c1c(Cl)cccc1Cl ZINC000659208168 975817191 /nfs/dbraw/zinc/81/71/91/975817191.db2.gz FOFKTXOEOTZUIH-GXSJLCMTSA-N -1 0 344.238 3.714 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1CC2CCC1CC2 ZINC001591762429 975859729 /nfs/dbraw/zinc/85/97/29/975859729.db2.gz WTZDESNLSAYNTJ-PIMMBPRGSA-N -1 0 331.412 3.937 20 0 EHADRM CCc1nc(CN2CCC(Cc3ccccc3C(=O)[O-])CC2)cs1 ZINC000659792912 975880375 /nfs/dbraw/zinc/88/03/75/975880375.db2.gz HNXBWBQJVOKCRA-UHFFFAOYSA-N -1 0 344.480 3.858 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NC(C)(C)/C=C/Cl ZINC001591767900 975884391 /nfs/dbraw/zinc/88/43/91/975884391.db2.gz UPSDTFSTPXUQSD-BQYQJAHWSA-N -1 0 340.807 3.825 20 0 EHADRM CC(C)Oc1ccc(N(C)C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001591778382 975940435 /nfs/dbraw/zinc/94/04/35/975940435.db2.gz XYPKMLBAZJOTFY-UHFFFAOYSA-N -1 0 328.368 3.840 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@@H](C)c2cccs2)c(C(=O)[O-])c1 ZINC001591781147 975950867 /nfs/dbraw/zinc/95/08/67/975950867.db2.gz UJMTYBRJLQAOBN-NSHDSACASA-N -1 0 333.409 3.976 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@H](C)c2cccs2)c(C(=O)[O-])c1 ZINC001591781146 975951211 /nfs/dbraw/zinc/95/12/11/975951211.db2.gz UJMTYBRJLQAOBN-LLVKDONJSA-N -1 0 333.409 3.976 20 0 EHADRM CC(C)Oc1ccc(NC(=O)CCc2ccccc2)c(C(=O)[O-])c1 ZINC001591786571 975957435 /nfs/dbraw/zinc/95/74/35/975957435.db2.gz IPNKSGBPNINCDW-UHFFFAOYSA-N -1 0 327.380 3.743 20 0 EHADRM CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000668316357 975994993 /nfs/dbraw/zinc/99/49/93/975994993.db2.gz FNJQWXOJOQIHNY-LSTDLKDCSA-N -1 0 343.467 3.953 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)CCCc1ccccc1 ZINC000675946266 976016920 /nfs/dbraw/zinc/01/69/20/976016920.db2.gz BBISSMMDXNPWAK-UHFFFAOYSA-N -1 0 325.408 3.513 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)CCc1ccc(C)c(Cl)c1 ZINC000678990746 976036043 /nfs/dbraw/zinc/03/60/43/976036043.db2.gz XHLMSQPJAQLJCI-UHFFFAOYSA-N -1 0 325.836 3.731 20 0 EHADRM CC(C)SCC(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001591823179 976073540 /nfs/dbraw/zinc/07/35/40/976073540.db2.gz GOUMGHIFUMAHLE-GFCCVEGCSA-N -1 0 337.224 3.804 20 0 EHADRM O=C([O-])c1cccc(CNCc2c(Cl)cccc2OC(F)F)c1 ZINC000683176083 976079825 /nfs/dbraw/zinc/07/98/25/976079825.db2.gz FUOVTPOYYKTHBX-UHFFFAOYSA-N -1 0 341.741 3.929 20 0 EHADRM C[C@@H](C(=O)N(CC(=O)[O-])C1CCCCC1)c1ccc(Cl)s1 ZINC000683308498 976084170 /nfs/dbraw/zinc/08/41/70/976084170.db2.gz WAROSPJJLJKEAE-SNVBAGLBSA-N -1 0 329.849 3.751 20 0 EHADRM CC(C)Sc1ccc([C@H](C)NC(=O)N[C@H]2CC=C(C(=O)[O-])C2)cc1 ZINC001591829649 976094151 /nfs/dbraw/zinc/09/41/51/976094151.db2.gz VMYNQHCZGNRWLP-WFASDCNBSA-N -1 0 348.468 3.721 20 0 EHADRM CC(C)Sc1ccccc1NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001591829708 976094725 /nfs/dbraw/zinc/09/47/25/976094725.db2.gz ZQWBSGVUETTYSG-GXTWGEPZSA-N -1 0 337.441 3.538 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CC(=O)NCCSCCC(=O)[O-])c2ccccc21 ZINC001591846434 976127697 /nfs/dbraw/zinc/12/76/97/976127697.db2.gz OMPRTAYQPRKURJ-YOEHRIQHSA-N -1 0 349.496 3.628 20 0 EHADRM CCCC[C@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000035095751 1014320136 /nfs/dbraw/zinc/32/01/36/1014320136.db2.gz JHEIQIOZTRKOLV-MFKMUULPSA-N -1 0 329.849 3.580 20 0 EHADRM CC(C)c1[nH]c(CN2CCOC3(C2)CCCCCC3)cc1C(=O)[O-] ZINC001591912271 976339235 /nfs/dbraw/zinc/33/92/35/976339235.db2.gz IHXBUUOKHLQTAE-UHFFFAOYSA-N -1 0 334.460 3.762 20 0 EHADRM CC(C)c1[nH]c(CN[C@@H](c2nccs2)C(F)(F)F)cc1C(=O)[O-] ZINC001591917228 976375040 /nfs/dbraw/zinc/37/50/40/976375040.db2.gz YPWUIZYEPPPSDG-NSHDSACASA-N -1 0 347.362 3.686 20 0 EHADRM CC(C)c1[nH]c(CNCc2csc(-c3ccco3)n2)cc1C(=O)[O-] ZINC001591917808 976378289 /nfs/dbraw/zinc/37/82/89/976378289.db2.gz DGSYVHSPVSVCMV-UHFFFAOYSA-N -1 0 345.424 3.843 20 0 EHADRM CC(C)c1cc(=O)oc2cc(O[C@H](C)c3nc(C(=O)[O-])co3)ccc21 ZINC001591926458 976416750 /nfs/dbraw/zinc/41/67/50/976416750.db2.gz YPENKDCSCWTTQC-SNVBAGLBSA-N -1 0 343.335 3.743 20 0 EHADRM CC(C)c1cc(=O)oc2cc(OCc3cccc(C(=O)[O-])n3)ccc21 ZINC001591926441 976416955 /nfs/dbraw/zinc/41/69/55/976416955.db2.gz WXNZNUQVOXRZHK-UHFFFAOYSA-N -1 0 339.347 3.589 20 0 EHADRM CC(C)c1ccc(C(C)(C)NC(=O)Nc2ccc(C(=O)[O-])cn2)cc1 ZINC001591947000 976486242 /nfs/dbraw/zinc/48/62/42/976486242.db2.gz BSISAAXDTYSPLM-UHFFFAOYSA-N -1 0 341.411 3.960 20 0 EHADRM CC(C)c1ccc(CNC(=O)NCC2(CC(=O)[O-])CCCC2)cc1 ZINC001591957130 976527912 /nfs/dbraw/zinc/52/79/12/976527912.db2.gz CHEGCQSDZMEBMW-UHFFFAOYSA-N -1 0 332.444 3.644 20 0 EHADRM CC(C)c1ccc(OCC(=O)O[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC001591974068 976585159 /nfs/dbraw/zinc/58/51/59/976585159.db2.gz MAJFKXUWZKJZBE-SFHVURJKSA-N -1 0 328.364 3.558 20 0 EHADRM CC(C)c1ccc2c(c1)CN(C(=O)C1(C(=O)[O-])CC3(CCC3)C1)CC2 ZINC001591974348 976587361 /nfs/dbraw/zinc/58/73/61/976587361.db2.gz UMWSAFOQXYUJHA-UHFFFAOYSA-N -1 0 341.451 3.730 20 0 EHADRM CC(C)c1ccc2occ(C(=O)N3C[C@@H]4CCC[C@]4(C(=O)[O-])C3)c2c1 ZINC001591980674 976595009 /nfs/dbraw/zinc/59/50/09/976595009.db2.gz KVTAGNJYZFDXCM-XOBRGWDASA-N -1 0 341.407 3.883 20 0 EHADRM CC(C)c1cccc(CC(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)c1 ZINC001591986473 976608338 /nfs/dbraw/zinc/60/83/38/976608338.db2.gz FRIARVAZLQAZRX-UHFFFAOYSA-N -1 0 346.452 3.810 20 0 EHADRM CC(C)c1ccccc1NC(=O)CNc1cc(C(=O)[O-])ccc1F ZINC001591994566 976634477 /nfs/dbraw/zinc/63/44/77/976634477.db2.gz LSYWHBIFQBEBJD-UHFFFAOYSA-N -1 0 330.359 3.698 20 0 EHADRM CC(C)c1ccoc1C(=O)N[C@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC001592003322 976661424 /nfs/dbraw/zinc/66/14/24/976661424.db2.gz QSTCOTGRABNRBX-GOSISDBHSA-N -1 0 333.359 3.662 20 0 EHADRM CC(C)c1ccccc1OCCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC001592003617 976662739 /nfs/dbraw/zinc/66/27/39/976662739.db2.gz BMZZXKXRLXFEFD-IBGZPJMESA-N -1 0 341.407 3.521 20 0 EHADRM CC(C)c1csc(SCC(=O)Nc2ccc(C(=O)[O-])cc2)n1 ZINC001592008358 976676039 /nfs/dbraw/zinc/67/60/39/976676039.db2.gz JDPJHYROZMNKBB-UHFFFAOYSA-N -1 0 336.438 3.696 20 0 EHADRM CC(C)c1nc(NC(=O)[C@@H]2CSc3ccccc32)sc1C(=O)[O-] ZINC001592021573 976715968 /nfs/dbraw/zinc/71/59/68/976715968.db2.gz FRPFWWRXZFCZTG-SNVBAGLBSA-N -1 0 348.449 3.793 20 0 EHADRM CC(C)c1nc(NC(=O)c2cc3ccncc3s2)sc1C(=O)[O-] ZINC001592028921 976732062 /nfs/dbraw/zinc/73/20/62/976732062.db2.gz WJIHKJXZXNPCBK-UHFFFAOYSA-N -1 0 347.421 3.827 20 0 EHADRM CC(C)c1ncsc1C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1 ZINC001592042651 976770835 /nfs/dbraw/zinc/77/08/35/976770835.db2.gz PUQUOGBWUDCDNP-CYBMUJFWSA-N -1 0 338.473 3.668 20 0 EHADRM C[C@H](C1CC1)n1nccc1NCc1ccnc2c(C(=O)[O-])cccc12 ZINC001592181317 977103314 /nfs/dbraw/zinc/10/33/14/977103314.db2.gz KAVFANHNXBYXOD-GFCCVEGCSA-N -1 0 336.395 3.713 20 0 EHADRM C[C@H](C1CCCCC1)N(C)C(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001592181639 977109937 /nfs/dbraw/zinc/10/99/37/977109937.db2.gz PUNNGKAZRWNTBR-WIBUTAKZSA-N -1 0 329.440 3.672 20 0 EHADRM C[C@H](/C=C\C(=O)[O-])NC(=O)CCCCc1ccc(Cl)c(Cl)c1 ZINC001592189417 977117918 /nfs/dbraw/zinc/11/79/18/977117918.db2.gz ABZRKAXRQHKSIR-DHHDDZJSSA-N -1 0 344.238 3.852 20 0 EHADRM C[C@H](/C=C/C(=O)[O-])NC(=O)c1ccc(-c2cccc3cccnc32)cc1 ZINC001592202749 977221347 /nfs/dbraw/zinc/22/13/47/977221347.db2.gz DSNCKHKPGAOBGP-WEKMIXOTSA-N -1 0 346.386 3.661 20 0 EHADRM C[C@@H](CC(=O)N1CCCc2ccc(C(=O)[O-])cc21)c1ccc(F)cc1 ZINC001592237367 977448224 /nfs/dbraw/zinc/44/82/24/977448224.db2.gz YOSODBLNVSLTES-ZDUSSCGKSA-N -1 0 341.382 3.997 20 0 EHADRM C[C@@H](CC(=O)Nc1ncc(C(=O)[O-])s1)Cc1ccc(Cl)cc1 ZINC001592277830 977556184 /nfs/dbraw/zinc/55/61/84/977556184.db2.gz HVPFBHJLSGQZGW-SECBINFHSA-N -1 0 338.816 3.702 20 0 EHADRM C/C=C/C[C@H](NC(=O)Nc1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000654798618 1014419782 /nfs/dbraw/zinc/41/97/82/1014419782.db2.gz MVBKLTBFXMBMIJ-IBUXWKBASA-N -1 0 344.333 3.722 20 0 EHADRM Cc1c(/C=C(\CCC(=O)[O-])c2nc3ccccc3s2)cnn1C ZINC000339430045 1014418548 /nfs/dbraw/zinc/41/85/48/1014418548.db2.gz ZPNVBZRXBKBJEQ-FMIVXFBMSA-N -1 0 327.409 3.744 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)Nc1ccccc1Nc1ccc(F)cc1F ZINC001592361829 977851693 /nfs/dbraw/zinc/85/16/93/977851693.db2.gz FITVJKHAEJPKSC-JTQLQIEISA-N -1 0 334.322 3.758 20 0 EHADRM Cc1ccc(Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc1CO ZINC001211489864 1014435418 /nfs/dbraw/zinc/43/54/18/1014435418.db2.gz KJSHWUBXXMJCLR-UHFFFAOYSA-N -1 0 325.286 3.948 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N(Cc1ccc2ccccc2c1)C1CC1 ZINC001592370445 977883313 /nfs/dbraw/zinc/88/33/13/977883313.db2.gz JJDAFLOJWRCOOH-CQSZACIVSA-N -1 0 325.408 3.832 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N(Cc1ccccc1F)c1ccccc1 ZINC001592371292 977892585 /nfs/dbraw/zinc/89/25/85/977892585.db2.gz QXLOXDGMWWODSU-AWEZNQCLSA-N -1 0 329.371 3.860 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC001592394206 977943467 /nfs/dbraw/zinc/94/34/67/977943467.db2.gz ABMZXKOCYXVYFE-LBPRGKRZSA-N -1 0 337.379 3.669 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc(Oc2ccncc2)c(Cl)c1 ZINC001592394942 977949046 /nfs/dbraw/zinc/94/90/46/977949046.db2.gz OVTTYVPBQIHOLP-LLVKDONJSA-N -1 0 348.786 3.967 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC001592396609 977960260 /nfs/dbraw/zinc/96/02/60/977960260.db2.gz XWRSCTWCNFWTJL-SECBINFHSA-N -1 0 338.816 3.903 20 0 EHADRM C[C@H](CC(=O)[O-])c1nc(C(C)(C)c2ccc(Cl)cc2F)no1 ZINC001592424124 978044294 /nfs/dbraw/zinc/04/42/94/978044294.db2.gz MYXZAYRLRYSCSB-MRVPVSSYSA-N -1 0 326.755 3.766 20 0 EHADRM C[C@@H](CCC(=O)Oc1ccc(CC(=O)[O-])cc1F)c1ccccc1 ZINC001592471064 978228743 /nfs/dbraw/zinc/22/87/43/978228743.db2.gz VSTWPVDQYRKKBU-ZDUSSCGKSA-N -1 0 330.355 3.942 20 0 EHADRM C[C@@H](CCC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)c1ccccc1 ZINC001592471101 978228752 /nfs/dbraw/zinc/22/87/52/978228752.db2.gz PTPAICILBKWYEI-XAUMDUMWSA-N -1 0 329.440 3.674 20 0 EHADRM C[C@@H](CCCC(F)(F)F)NC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001592477805 978246537 /nfs/dbraw/zinc/24/65/37/978246537.db2.gz NPQUFMYXXXMJPB-QMMMGPOBSA-N -1 0 336.285 3.767 20 0 EHADRM C[C@@H](CCC(C)(C)C)NC(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC001592478611 978253064 /nfs/dbraw/zinc/25/30/64/978253064.db2.gz UZKVPPUWSLZGCB-LBPRGKRZSA-N -1 0 347.459 3.671 20 0 EHADRM C[C@H](CCSc1ccccc1)SCc1cnc(C(=O)[O-])cn1 ZINC001592537459 978412683 /nfs/dbraw/zinc/41/26/83/978412683.db2.gz NDKZMUWEWQVYEI-GFCCVEGCSA-N -1 0 334.466 3.979 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N3CCC[C@H]3C3CCC3)c12 ZINC000738362432 978523755 /nfs/dbraw/zinc/52/37/55/978523755.db2.gz MBVAQFSOLNQVGZ-LBPRGKRZSA-N -1 0 331.441 3.775 20 0 EHADRM O=C([O-])c1ccc2ccccc2c1OC(=O)CCCc1ccccn1 ZINC000739237538 978623537 /nfs/dbraw/zinc/62/35/37/978623537.db2.gz XONJGFLZUPVOTE-UHFFFAOYSA-N -1 0 335.359 3.861 20 0 EHADRM Cn1c2ccccc2c(Cl)c1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000746356433 978683154 /nfs/dbraw/zinc/68/31/54/978683154.db2.gz NPKGGNGCASYZPQ-UHFFFAOYSA-N -1 0 346.745 3.921 20 0 EHADRM CCCC[C@@H](NC(=O)/C=C\c1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000753912679 978694782 /nfs/dbraw/zinc/69/47/82/978694782.db2.gz CPQFVBVIBANXPI-MENFKHAKSA-N -1 0 345.439 3.781 20 0 EHADRM CC1(C)CCC(=CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])CC1 ZINC000761569771 978711256 /nfs/dbraw/zinc/71/12/56/978711256.db2.gz DEWYBJVDJFMBNL-QGZVFWFLSA-N -1 0 327.424 3.551 20 0 EHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000761690749 978714706 /nfs/dbraw/zinc/71/47/06/978714706.db2.gz RQGJBNLSPPABIB-FMIVXFBMSA-N -1 0 329.783 3.758 20 0 EHADRM CCCCC[C@@H](NC(=O)C[C@H](C)c1ccc(F)cc1F)C(=O)[O-] ZINC000761836991 978715204 /nfs/dbraw/zinc/71/52/04/978715204.db2.gz OZZCYYIBGMXQFX-XHDPSFHLSA-N -1 0 327.371 3.608 20 0 EHADRM CC(C)(C)[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000767020268 978731803 /nfs/dbraw/zinc/73/18/03/978731803.db2.gz MQPDITXUDVJUBI-OPQQBVKSSA-N -1 0 344.238 3.712 20 0 EHADRM O=C([O-])CN(C(=O)/C=C\c1nc2ccccc2s1)C1CCCCC1 ZINC000767025614 978731834 /nfs/dbraw/zinc/73/18/34/978731834.db2.gz PWSPNBHMUJKKNI-KHPPLWFESA-N -1 0 344.436 3.555 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)ccc1F ZINC000767095075 978734220 /nfs/dbraw/zinc/73/42/20/978734220.db2.gz DEEJFKOJLXOKHF-CHWSQXEVSA-N -1 0 333.746 3.920 20 0 EHADRM Cc1sc(C(=O)NC(C)(C)CC(=O)[O-])cc1-c1ccc(F)cc1 ZINC000776627838 978761825 /nfs/dbraw/zinc/76/18/25/978761825.db2.gz SJDIXLGJQSUFKU-UHFFFAOYSA-N -1 0 335.400 3.846 20 0 EHADRM CC(C)(C)c1ncc(/C=C\C(=O)Nc2cc(C(=O)[O-])ccc2F)s1 ZINC000776647585 978766253 /nfs/dbraw/zinc/76/62/53/978766253.db2.gz MTAHGGRXNDPFMH-ALCCZGGFSA-N -1 0 348.399 3.930 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCN2C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000797994325 978834990 /nfs/dbraw/zinc/83/49/90/978834990.db2.gz OXXIRPSQLFNVPO-HDJSIYSDSA-N -1 0 329.440 3.764 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c(OC(C)C)c1 ZINC000799243736 978837817 /nfs/dbraw/zinc/83/78/17/978837817.db2.gz LVTJFSUBOMCDOY-UHFFFAOYSA-N -1 0 347.342 3.572 20 0 EHADRM CC(=O)Nc1cccc(NC(=O)c2cc(C(=O)[O-])ccc2Cl)c1C ZINC000811814757 978858385 /nfs/dbraw/zinc/85/83/85/978858385.db2.gz SMGBUVMGEVFMRL-UHFFFAOYSA-N -1 0 346.770 3.557 20 0 EHADRM Cc1cc(C)c(CNC(=O)c2cc(C(=O)[O-])ccc2Cl)c(C)c1 ZINC000811817557 978861766 /nfs/dbraw/zinc/86/17/66/978861766.db2.gz ONSNWMTXPJCCOE-UHFFFAOYSA-N -1 0 331.799 3.893 20 0 EHADRM CC(C)Oc1cccc([C@@H](C)NC(=O)C23CCC(C(=O)[O-])(CC2)C3)c1 ZINC000821995655 978927387 /nfs/dbraw/zinc/92/73/87/978927387.db2.gz IXVVGPWQGZZVCD-WPUWVODUSA-N -1 0 345.439 3.686 20 0 EHADRM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000828149941 978972208 /nfs/dbraw/zinc/97/22/08/978972208.db2.gz OIDWSRQETHLVSN-WMLDXEAASA-N -1 0 338.407 3.870 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc2c3ccccc3n(C)c2s1 ZINC000828634113 978986343 /nfs/dbraw/zinc/98/63/43/978986343.db2.gz HRKLNOFZICITDK-GOSISDBHSA-N -1 0 344.436 3.766 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)[C@]2(C)CCc3ccccc3C2)cc1 ZINC000830508655 979019159 /nfs/dbraw/zinc/01/91/59/979019159.db2.gz YAHDSINQTKQTLJ-HXUWFJFHSA-N -1 0 338.407 3.935 20 0 EHADRM CC[C@H](C)c1nnc(N2CCC(C(=O)[O-])CC2)n1C[C@@H]1CCC[C@H]1C ZINC001595017135 979076880 /nfs/dbraw/zinc/07/68/80/979076880.db2.gz COAAAWRWZOPJFI-LZWOXQAQSA-N -1 0 348.491 3.529 20 0 EHADRM CC[C@H](C)n1nc(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)cc1C ZINC001595022777 979110182 /nfs/dbraw/zinc/11/01/82/979110182.db2.gz OPUOHHDYROINDO-JTQLQIEISA-N -1 0 340.383 3.594 20 0 EHADRM CC[C@@H](CC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)c1ccccc1 ZINC001595033461 979175471 /nfs/dbraw/zinc/17/54/71/979175471.db2.gz KILFHBIJHZGBAH-XAUMDUMWSA-N -1 0 329.440 3.674 20 0 EHADRM CC[C@@H](CC(=O)NC[C@H](Cc1ccccc1OC)C(=O)[O-])C(C)(C)C ZINC001595033670 979177830 /nfs/dbraw/zinc/17/78/30/979177830.db2.gz PBZBKQSSQFEPHW-HOTGVXAUSA-N -1 0 349.471 3.517 20 0 EHADRM CC[C@@H](CC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)c1ccc(C)cc1 ZINC001595033720 979177969 /nfs/dbraw/zinc/17/79/69/979177969.db2.gz QUWUWRZCGIEZRY-YRISNDGFSA-N -1 0 343.467 3.982 20 0 EHADRM CC[C@@H](CC(F)(F)F)C(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1 ZINC001595038283 979208488 /nfs/dbraw/zinc/20/84/88/979208488.db2.gz GDPXOVQATCUSRW-JTQLQIEISA-N -1 0 332.318 3.933 20 0 EHADRM CC[C@H](CC(F)(F)F)C(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC001595038715 979209859 /nfs/dbraw/zinc/20/98/59/979209859.db2.gz IFNCTCCJGIIDFE-YPMHNXCESA-N -1 0 331.334 3.524 20 0 EHADRM CC[C@@H](CC(F)(F)F)C(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC001595038973 979212086 /nfs/dbraw/zinc/21/20/86/979212086.db2.gz LRKROJAPKYSNIP-VIFPVBQESA-N -1 0 336.331 3.747 20 0 EHADRM CCC(CC)(C(=O)Nc1cccc(C(=O)[O-])c1N)c1ccccc1 ZINC001595041668 979227396 /nfs/dbraw/zinc/22/73/96/979227396.db2.gz SZYDKKGRWGUTJM-UHFFFAOYSA-N -1 0 326.396 3.664 20 0 EHADRM C[C@@](CNc1cc(Cl)nc(C2CCC2)n1)(C(=O)[O-])c1ccccc1 ZINC001592728972 979239867 /nfs/dbraw/zinc/23/98/67/979239867.db2.gz IOLLIFSPJLQZFT-SFHVURJKSA-N -1 0 345.830 3.852 20 0 EHADRM CSCC[C@H](C)NC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000836740623 979250773 /nfs/dbraw/zinc/25/07/73/979250773.db2.gz VFUZKMRMVIIAHQ-ZDUSSCGKSA-N -1 0 343.448 3.923 20 0 EHADRM O=C([O-])c1ccc([C@@H](NC(=O)C=C2CCCCC2)C(F)(F)F)cc1 ZINC000836754259 979260618 /nfs/dbraw/zinc/26/06/18/979260618.db2.gz FNQWVERJEMCTLR-OAHLLOKOSA-N -1 0 341.329 3.995 20 0 EHADRM C[C@]1(CCNC(=O)CC2(CC(=O)[O-])CCCC2)CC1(Cl)Cl ZINC000840729056 979274034 /nfs/dbraw/zinc/27/40/34/979274034.db2.gz NBYGHFZHEKNHIX-ZDUSSCGKSA-N -1 0 336.259 3.502 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2ccc(N3CCCC3)c(F)c2)c1 ZINC000840942619 979279694 /nfs/dbraw/zinc/27/96/94/979279694.db2.gz NPZCTIAGZJAEHX-UHFFFAOYSA-N -1 0 342.370 3.685 20 0 EHADRM CCC(CC)(CNC(=O)[C@@H](C)Oc1cc(C(C)C)ccc1C)C(=O)[O-] ZINC001595064656 979327272 /nfs/dbraw/zinc/32/72/72/979327272.db2.gz DLFQLALJYUNKOY-OAHLLOKOSA-N -1 0 349.471 3.893 20 0 EHADRM CCC(CC)(CNC(=O)[C@H](C)Oc1cc(C(C)C)ccc1C)C(=O)[O-] ZINC001595064654 979327500 /nfs/dbraw/zinc/32/75/00/979327500.db2.gz DLFQLALJYUNKOY-HNNXBMFYSA-N -1 0 349.471 3.893 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1sccc1-c1ccc(F)cc1)CC1CC1 ZINC000846125900 979409776 /nfs/dbraw/zinc/40/97/76/979409776.db2.gz BPXSKRJJUNYIMJ-ZDUSSCGKSA-N -1 0 347.411 3.785 20 0 EHADRM C[C@H](COCc1nc(-c2cccc(C(=O)[O-])c2)no1)c1ccccc1 ZINC001592780961 979413069 /nfs/dbraw/zinc/41/30/69/979413069.db2.gz QMVDPCUOXDVVSS-CYBMUJFWSA-N -1 0 338.363 3.755 20 0 EHADRM Cc1noc(C)c1CN(C)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000846237361 979417406 /nfs/dbraw/zinc/41/74/06/979417406.db2.gz GFDHXZKUPXHJSI-AWEZNQCLSA-N -1 0 343.210 3.856 20 0 EHADRM CCC(CC)[C@@H](C)C(=O)O[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001595106363 979431330 /nfs/dbraw/zinc/43/13/30/979431330.db2.gz KIVYRMVKWPOMEQ-CHWSQXEVSA-N -1 0 349.427 3.636 20 0 EHADRM CC(C)C[C@H](NC(=O)c1ccc(/C=C\C(=O)[O-])o1)c1cccs1 ZINC000851596335 979510905 /nfs/dbraw/zinc/51/09/05/979510905.db2.gz UWWPTJGXFAFZNX-WOLRVDTOSA-N -1 0 333.409 3.956 20 0 EHADRM COC1(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CCC(F)(F)CC1 ZINC000851598881 979516777 /nfs/dbraw/zinc/51/67/77/979516777.db2.gz IGUOQWVHHDNMAJ-UHFFFAOYSA-N -1 0 347.745 3.571 20 0 EHADRM Cc1cc(C)cc([C@H]2CCN(C(=O)c3ccc(/C=C/C(=O)[O-])o3)C2)c1 ZINC000851604094 979527042 /nfs/dbraw/zinc/52/70/42/979527042.db2.gz ZXHFHNKTOSHEQO-DRDHIDPGSA-N -1 0 339.391 3.624 20 0 EHADRM CC(C)c1ccccc1C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000851604854 979529036 /nfs/dbraw/zinc/52/90/36/979529036.db2.gz FITBHAHNRLCIPM-KRWDZBQOSA-N -1 0 329.371 3.547 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(SC(F)F)cc1 ZINC000851608487 979535226 /nfs/dbraw/zinc/53/52/26/979535226.db2.gz KDODJOKUTYSMRY-LBPRGKRZSA-N -1 0 331.384 3.573 20 0 EHADRM C[C@H](CSCc1ccccc1)C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC001592825467 979543543 /nfs/dbraw/zinc/54/35/43/979543543.db2.gz ILBBECHTLSLZLM-OAHLLOKOSA-N -1 0 349.496 3.802 20 0 EHADRM C[C@H](CSCc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C1CCCC1 ZINC001592825655 979545031 /nfs/dbraw/zinc/54/50/31/979545031.db2.gz KWVZLVRHQNVKQK-PBHICJAKSA-N -1 0 349.496 3.706 20 0 EHADRM C[C@@H](CSc1ccccc1)N(C)C(=O)c1cccc(CC(=O)[O-])c1 ZINC001592832685 979565013 /nfs/dbraw/zinc/56/50/13/979565013.db2.gz SSKGMBMLFNOQEK-AWEZNQCLSA-N -1 0 343.448 3.567 20 0 EHADRM CC(C)c1ccc(C[C@H](C)NC(=O)NC[C@H](CC(=O)[O-])C2CC2)cc1 ZINC001592834660 979578558 /nfs/dbraw/zinc/57/85/58/979578558.db2.gz UGEWDRAJBQBRJN-KSSFIOAISA-N -1 0 346.471 3.541 20 0 EHADRM CC[C@](CNC(=O)C1CCCCCCC1)(C(=O)[O-])c1ccccc1 ZINC001595139214 979588872 /nfs/dbraw/zinc/58/88/72/979588872.db2.gz FPUJYMMTWSEZIZ-HXUWFJFHSA-N -1 0 331.456 3.896 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N1CCCCC[C@@H]1C(=O)[O-] ZINC000856951788 979612825 /nfs/dbraw/zinc/61/28/25/979612825.db2.gz CXICFTKCHHUCDJ-CQSZACIVSA-N -1 0 347.436 3.765 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)[C@H]2C[C@@]2(F)c2ccccc2)cc1)C(=O)[O-] ZINC001592857739 979666060 /nfs/dbraw/zinc/66/60/60/979666060.db2.gz LIMBYPSNSCWSBU-YXKFXFPPSA-N -1 0 341.382 3.773 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)CCc2cccnc2Cl)cc1)C(=O)[O-] ZINC001592859781 979683390 /nfs/dbraw/zinc/68/33/90/979683390.db2.gz WLKHATIJNRWZKC-LBPRGKRZSA-N -1 0 346.814 3.570 20 0 EHADRM CC(C)Oc1cccc([C@H](C)NC(=O)/C=C/c2cc(C(=O)[O-])co2)c1 ZINC000864103564 979689006 /nfs/dbraw/zinc/68/90/06/979689006.db2.gz MLTFUGCOXVCOGE-GWJCSSMESA-N -1 0 343.379 3.656 20 0 EHADRM Cc1ccc(C(=O)Nc2cccc(COC(C)C)c2)cc1C(=O)[O-] ZINC000864107041 979694759 /nfs/dbraw/zinc/69/47/59/979694759.db2.gz ZWPLKBUVYAXYJC-UHFFFAOYSA-N -1 0 327.380 3.871 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)o1 ZINC000864109003 979698125 /nfs/dbraw/zinc/69/81/25/979698125.db2.gz KUEORJFLHYUVCG-LECLMCCNSA-N -1 0 343.354 3.788 20 0 EHADRM Cc1ccc(CN(C(=O)/C=C\c2cc(C(=O)[O-])co2)C2CC2)cc1C ZINC000864111865 979703279 /nfs/dbraw/zinc/70/32/79/979703279.db2.gz QWQRMVZIJBIQPU-FPLPWBNLSA-N -1 0 339.391 3.799 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)NCC2(C)CC(F)(F)C2)cc1)C(=O)[O-] ZINC001592865624 979707789 /nfs/dbraw/zinc/70/77/89/979707789.db2.gz FBWIYUKLJTXNSO-LLVKDONJSA-N -1 0 340.370 3.507 20 0 EHADRM CN(C(=O)/C=C/c1cc(C(=O)[O-])co1)[C@@H]1CCCc2ccccc21 ZINC000864124921 979724279 /nfs/dbraw/zinc/72/42/79/979724279.db2.gz LGZAJDZYGZOBAR-OAGJVSPASA-N -1 0 325.364 3.527 20 0 EHADRM CN(C(=O)/C=C\c1cc(C(=O)[O-])co1)[C@@H]1CCCc2ccccc21 ZINC000864124918 979724343 /nfs/dbraw/zinc/72/43/43/979724343.db2.gz LGZAJDZYGZOBAR-DOOKAGJSSA-N -1 0 325.364 3.527 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2ccccc2-n2cccc2)cc1)C(=O)[O-] ZINC001592872918 979732502 /nfs/dbraw/zinc/73/25/02/979732502.db2.gz PPFVNTDUIDFSDZ-HNNXBMFYSA-N -1 0 348.402 3.993 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)o1 ZINC000864143348 979749024 /nfs/dbraw/zinc/74/90/24/979749024.db2.gz IUHURQISTTXSEM-BSLWVNCTSA-N -1 0 343.354 3.583 20 0 EHADRM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000864148022 979753787 /nfs/dbraw/zinc/75/37/87/979753787.db2.gz TWUUUILXXYGQET-GMVCYHGDSA-N -1 0 337.419 3.764 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)N1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC001592883425 979760449 /nfs/dbraw/zinc/76/04/49/979760449.db2.gz QPSJQKLTWLFMJH-GUIRCDHDSA-N -1 0 337.847 3.619 20 0 EHADRM CC(C)(c1ccccc1)C1(NC(=O)/C=C/c2cc(C(=O)[O-])co2)CC1 ZINC000864153058 979763689 /nfs/dbraw/zinc/76/36/89/979763689.db2.gz WUYICXPRCOTOKI-CMDGGOBGSA-N -1 0 339.391 3.618 20 0 EHADRM C[C@@H](Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1)C(=O)[O-] ZINC001592884016 979764654 /nfs/dbraw/zinc/76/46/54/979764654.db2.gz YLQDSLOXZLAMQZ-VIFPVBQESA-N -1 0 325.290 3.502 20 0 EHADRM C[C@@H](CCc1ccc(F)cc1)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000864158130 979770244 /nfs/dbraw/zinc/77/02/44/979770244.db2.gz BHVKIAPSZUMVEW-ZDUSSCGKSA-N -1 0 341.382 3.635 20 0 EHADRM O=C([O-])[C@H]1CCCCCN1C(=O)/C=C\c1ccsc1C(F)(F)F ZINC000864158387 979770815 /nfs/dbraw/zinc/77/08/15/979770815.db2.gz KAXGXTNEGFSCOE-ISALQUGTSA-N -1 0 347.358 3.636 20 0 EHADRM C[C@@](Cc1ccccc1)(NC(=O)CC1(CC(=O)[O-])CCCC1)C1CC1 ZINC001592889996 979776188 /nfs/dbraw/zinc/77/61/88/979776188.db2.gz CNMOJGZXRMNILB-FQEVSTJZSA-N -1 0 343.467 3.939 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC001592891160 979781853 /nfs/dbraw/zinc/78/18/53/979781853.db2.gz MXYNAKAPCUPHSP-CYBMUJFWSA-N -1 0 337.847 3.812 20 0 EHADRM CC(C)(C)[C@@H]1Cc2ccccc2N(C(=O)c2cncc(C(=O)[O-])c2)C1 ZINC000864174375 979811082 /nfs/dbraw/zinc/81/10/82/979811082.db2.gz IXYWKMUTKRPGAQ-MRXNPFEDSA-N -1 0 338.407 3.645 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3c(cccc3F)s2)[C@@H]2CCC[C@H]21 ZINC000864175931 979816996 /nfs/dbraw/zinc/81/69/96/979816996.db2.gz ODWAPHAZZWIKCZ-MISXGVKJSA-N -1 0 347.411 3.756 20 0 EHADRM CC(C)[C@@H](SCc1ccccc1)C(=O)NCc1cc(C(=O)[O-])co1 ZINC000864193766 979852458 /nfs/dbraw/zinc/85/24/58/979852458.db2.gz VJDXCGJAMGOMET-MRXNPFEDSA-N -1 0 347.436 3.552 20 0 EHADRM Cc1ccc(C[C@@]2(C)CCCN2C(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000864194772 979853612 /nfs/dbraw/zinc/85/36/12/979853612.db2.gz MQGAOESTBHRCIA-LJQANCHMSA-N -1 0 327.380 3.524 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)/C=C\c1ccsc1C(F)(F)F)C1CC1 ZINC000864200641 979877079 /nfs/dbraw/zinc/87/70/79/979877079.db2.gz BYMFGEQFLBIRHR-DQWBNOTDSA-N -1 0 347.358 3.540 20 0 EHADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)c1sccc1-c1ccc(F)cc1)C2 ZINC000864210758 979895544 /nfs/dbraw/zinc/89/55/44/979895544.db2.gz SOUGSCIRMBCFST-YNKQFZHNSA-N -1 0 345.395 3.537 20 0 EHADRM C[C@H](Cn1ccc2ccccc21)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC001592918921 979911577 /nfs/dbraw/zinc/91/15/77/979911577.db2.gz SOWDCVSFVAIKIM-OLZOCXBDSA-N -1 0 341.363 3.873 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)C[C@@H](C)c2ccccc2)c1 ZINC000864227869 979917977 /nfs/dbraw/zinc/91/79/77/979917977.db2.gz HGHOOCUDSBQPRY-CRAIPNDOSA-N -1 0 325.408 3.821 20 0 EHADRM CCCc1nc(C)c(C(=O)N[C@H](CC(=O)[O-])c2cccc(C)c2)s1 ZINC000864229126 979922991 /nfs/dbraw/zinc/92/29/91/979922991.db2.gz SHVXYVGRWSVYMT-CQSZACIVSA-N -1 0 346.452 3.658 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)c1 ZINC000864229141 979923126 /nfs/dbraw/zinc/92/31/26/979923126.db2.gz SRPSNDTXBMWFPP-SQNIBIBYSA-N -1 0 341.382 3.570 20 0 EHADRM Cc1sc(CN[C@H](C(=O)[O-])c2cccs2)cc1Br ZINC000871877875 979980127 /nfs/dbraw/zinc/98/01/27/979980127.db2.gz XSZHYSXSEBSEJV-NSHDSACASA-N -1 0 346.271 3.796 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)Nc1cccc(C(=O)[O-])c1OC ZINC001595211331 979990749 /nfs/dbraw/zinc/99/07/49/979990749.db2.gz SHNMQDRSGKHGCC-OAHLLOKOSA-N -1 0 341.407 3.909 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)Oc1ccc(C(=O)[O-])cc1OC ZINC001595212112 979996620 /nfs/dbraw/zinc/99/66/20/979996620.db2.gz XANFYLJFQLTJPK-OAHLLOKOSA-N -1 0 342.391 3.876 20 0 EHADRM CC(F)(F)CCC(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001592938743 980002316 /nfs/dbraw/zinc/00/23/16/980002316.db2.gz CWYONZYVYGFAPP-NSHDSACASA-N -1 0 339.260 3.540 20 0 EHADRM CC(F)(F)c1cccc(NC(=O)N[C@H](CC(=O)[O-])C2CCCC2)c1 ZINC001592944884 980024404 /nfs/dbraw/zinc/02/44/04/980024404.db2.gz SDEVKRDOSCWCES-CQSZACIVSA-N -1 0 340.370 3.953 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)c2sccc2C(F)F)c2ccccc21 ZINC000872741690 980135962 /nfs/dbraw/zinc/13/59/62/980135962.db2.gz JOIQXZILGCDDJK-VIFPVBQESA-N -1 0 337.347 3.904 20 0 EHADRM CC[C@@](NC(=O)C[C@@H]1CC=CCC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595238556 980155702 /nfs/dbraw/zinc/15/57/02/980155702.db2.gz STKOMSLBPOBOCK-ACJLOTCBSA-N -1 0 335.831 3.893 20 0 EHADRM C[C@H](NC(=O)[C@H](F)CC1CCCCC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001592994086 980199473 /nfs/dbraw/zinc/19/94/73/980199473.db2.gz PBSDRLDKQPFTNA-BMGDILEWSA-N -1 0 349.446 3.743 20 0 EHADRM CC[C@H](NC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001595249253 980201883 /nfs/dbraw/zinc/20/18/83/980201883.db2.gz HRIWQJBCMSZKKN-KYOSRNDESA-N -1 0 338.835 3.543 20 0 EHADRM C[C@@](NC(=O)C1(c2ccccc2)CCCCCC1)(C(=O)[O-])C1CC1 ZINC001592999373 980213179 /nfs/dbraw/zinc/21/31/79/980213179.db2.gz ZAWRCGQSXLJVNY-IBGZPJMESA-N -1 0 329.440 3.648 20 0 EHADRM CC[C@@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)c1cc(C)ccc1C ZINC001595252749 980223947 /nfs/dbraw/zinc/22/39/47/980223947.db2.gz KHJSMLHRNZCSDW-GOSISDBHSA-N -1 0 340.423 3.952 20 0 EHADRM C[C@H](NC(=O)/C=C/C1CCCCCC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593008403 980231342 /nfs/dbraw/zinc/23/13/42/980231342.db2.gz GKDWHNLABVZUHL-NGIKDWRJSA-N -1 0 343.467 3.961 20 0 EHADRM C[C@@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1cccc(C2CC2)c1 ZINC001593009173 980234432 /nfs/dbraw/zinc/23/44/32/980234432.db2.gz NPNZGPDWPZNSEH-ZJNQMXKESA-N -1 0 325.364 3.746 20 0 EHADRM Cc1cc(C)cc([C@@H](NCc2csc(C(F)(F)F)n2)C(=O)[O-])c1 ZINC000900032216 980237918 /nfs/dbraw/zinc/23/79/18/980237918.db2.gz QLKZPTJXXDLKIG-GFCCVEGCSA-N -1 0 344.358 3.694 20 0 EHADRM CC[C@@H](NC(=O)Nc1cnc(C)c(C(=O)[O-])c1)c1cc(C)ccc1C ZINC001595258163 980252278 /nfs/dbraw/zinc/25/22/78/980252278.db2.gz LFRYTWLPQWZVRX-QGZVFWFLSA-N -1 0 341.411 3.978 20 0 EHADRM CC[C@@](NC(=O)OCc1ccc(Cl)cc1)(C(=O)[O-])c1ccccc1 ZINC001595258620 980257053 /nfs/dbraw/zinc/25/70/53/980257053.db2.gz VLGNNMNRGYFAEQ-SFHVURJKSA-N -1 0 347.798 3.956 20 0 EHADRM O=C([O-])/C=C/c1ccc(CN(Cc2cccs2)C[C@H]2CCCO2)o1 ZINC000901417971 980265726 /nfs/dbraw/zinc/26/57/26/980265726.db2.gz XOJXXJZMFTTYAG-MVGZEHJDSA-N -1 0 347.436 3.620 20 0 EHADRM C[C@](NC(=O)CCc1cccc2ccccc21)(C(=O)[O-])c1ccccc1 ZINC001593019752 980273509 /nfs/dbraw/zinc/27/35/09/980273509.db2.gz HRWDLVXAFHHPDG-JOCHJYFZSA-N -1 0 347.414 3.889 20 0 EHADRM O=C([O-])C1CCN(C(=O)[C@@H]2CCCC[C@H]2c2cccc(Cl)c2)CC1 ZINC000901428646 980276170 /nfs/dbraw/zinc/27/61/70/980276170.db2.gz BNFGBDNDWKLMDU-DLBZAZTESA-N -1 0 349.858 3.937 20 0 EHADRM CC[C@@](NC(=O)c1ccc(C)c(F)c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595269306 980285127 /nfs/dbraw/zinc/28/51/27/980285127.db2.gz ZUFVFSMHXYANDV-SFHVURJKSA-N -1 0 349.789 3.907 20 0 EHADRM Cn1cnc(-c2cccc(N[C@@H]3CCC[C@@H](CCCC(=O)[O-])C3)c2)n1 ZINC000901441182 980289475 /nfs/dbraw/zinc/28/94/75/980289475.db2.gz FWGPIRWLACONAA-GOEBONIOSA-N -1 0 342.443 3.708 20 0 EHADRM C[C@H](CC(C)(C)CC(=O)[O-])Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000901443381 980291343 /nfs/dbraw/zinc/29/13/43/980291343.db2.gz YTFUZVKKWUMSQC-RKFFSXRUSA-N -1 0 345.892 3.910 20 0 EHADRM O=C([O-])C1CCC(NC(=O)c2c(Cl)cccc2C(F)(F)F)CC1 ZINC000901483391 980310245 /nfs/dbraw/zinc/31/02/45/980310245.db2.gz QOUQSOKIQRRWTR-UHFFFAOYSA-N -1 0 349.736 3.732 20 0 EHADRM CC(C)Cn1nccc1CN[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000901514423 980330941 /nfs/dbraw/zinc/33/09/41/980330941.db2.gz GRLWISADROPXNH-IBGZPJMESA-N -1 0 337.423 3.608 20 0 EHADRM O=C([O-])[C@]1(F)CCN(Cc2ccc(Sc3ccccc3)cc2)C1 ZINC000901518046 980335247 /nfs/dbraw/zinc/33/52/47/980335247.db2.gz KOEGFEAIYIINMD-SFHVURJKSA-N -1 0 331.412 3.836 20 0 EHADRM CCCn1nc(C)c(CNc2ccc3c(C(=O)[O-])c[nH]c3c2)c1C ZINC000901541591 980369288 /nfs/dbraw/zinc/36/92/88/980369288.db2.gz WWSBVHHPYZHQQA-UHFFFAOYSA-N -1 0 326.400 3.702 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C2(C3CCCCC3)CC2)C[C@H]1c1ccccc1 ZINC000901705904 980457893 /nfs/dbraw/zinc/45/78/93/980457893.db2.gz YNOMMMSNNNJNJO-ZWKOTPCHSA-N -1 0 341.451 3.674 20 0 EHADRM CC[C@@H](Nc1cc(I)cc(C(=O)[O-])c1)C1CC1 ZINC001595317649 980495846 /nfs/dbraw/zinc/49/58/46/980495846.db2.gz ZEOSYKDBOAFYEG-GFCCVEGCSA-N -1 0 345.180 3.590 20 0 EHADRM CC[C@@](O)(CC(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1)c1ccccc1 ZINC001595321213 980508277 /nfs/dbraw/zinc/50/82/77/980508277.db2.gz GMIQXVZZDIOPPH-BFUOFWGJSA-N -1 0 346.379 3.578 20 0 EHADRM CC[C@@](NCc1cc(C2CC2)no1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000901872860 980586607 /nfs/dbraw/zinc/58/66/07/980586607.db2.gz MXGOTRQADQSWGF-KRWDZBQOSA-N -1 0 334.803 3.685 20 0 EHADRM CC[C@@H](OC(=O)c1cc(C)c(C(=O)[O-])o1)c1cc(C)ccc1OC ZINC001595346291 980635229 /nfs/dbraw/zinc/63/52/29/980635229.db2.gz ZPPYSBUVUAGACG-CYBMUJFWSA-N -1 0 332.352 3.911 20 0 EHADRM CC[C@@H](OC(=O)c1csc(-c2ccccc2C)n1)[C@@H](C)C(=O)[O-] ZINC001595353630 980683589 /nfs/dbraw/zinc/68/35/89/980683589.db2.gz TYKBNYNPOGQFPS-BXUZGUMPSA-N -1 0 333.409 3.775 20 0 EHADRM CC[C@H](OC(=O)c1csc(-c2ccccc2C)n1)[C@@H](C)C(=O)[O-] ZINC001595353632 980683599 /nfs/dbraw/zinc/68/35/99/980683599.db2.gz TYKBNYNPOGQFPS-RISCZKNCSA-N -1 0 333.409 3.775 20 0 EHADRM COc1ccc(N[C@@H]2CCC[C@H](CCCC(=O)[O-])C2)cc1NC(C)=O ZINC000902094549 980730693 /nfs/dbraw/zinc/73/06/93/980730693.db2.gz PCBJHDMBWJCIHC-HUUCEWRRSA-N -1 0 348.443 3.879 20 0 EHADRM CC[C@H](SC)C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC001595358372 980731722 /nfs/dbraw/zinc/73/17/22/980731722.db2.gz JASGSCHQRFCEPW-JTQLQIEISA-N -1 0 327.471 3.795 20 0 EHADRM CC[C@@H](SC)C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC001595358374 980731776 /nfs/dbraw/zinc/73/17/76/980731776.db2.gz JASGSCHQRFCEPW-SNVBAGLBSA-N -1 0 327.471 3.795 20 0 EHADRM CCCN(CCC)C(=O)c1ccc(NCc2ccoc2C(=O)[O-])cc1 ZINC000902102704 980735264 /nfs/dbraw/zinc/73/52/64/980735264.db2.gz DSYNDRASFOVCTR-UHFFFAOYSA-N -1 0 344.411 3.852 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001595361231 980759996 /nfs/dbraw/zinc/75/99/96/980759996.db2.gz FMKOERPSJRMJRK-UYWIDEMCSA-N -1 0 349.430 3.637 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CNc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000902234022 980793672 /nfs/dbraw/zinc/79/36/72/980793672.db2.gz MRANRGXUMNXVOA-CQSZACIVSA-N -1 0 349.358 3.595 20 0 EHADRM CC[C@H](c1ccccc1)N(CC)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001595364420 980793924 /nfs/dbraw/zinc/79/39/24/980793924.db2.gz RANYVWQWWDCLSW-MRXNPFEDSA-N -1 0 327.384 3.785 20 0 EHADRM Cc1ccc(NCc2ccoc2C(=O)[O-])cc1OCC1CCOCC1 ZINC000902294184 980820826 /nfs/dbraw/zinc/82/08/26/980820826.db2.gz RMJDEIRZWUYXBU-UHFFFAOYSA-N -1 0 345.395 3.704 20 0 EHADRM CC[C@@H](NCc1ccoc1C(=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000902362905 980852937 /nfs/dbraw/zinc/85/29/37/980852937.db2.gz GLBAPPDSGXYKTA-MRVPVSSYSA-N -1 0 334.319 3.694 20 0 EHADRM COCCOc1c(Cl)cc(N[C@H](C)[C@H]2C[C@@H]2C(=O)[O-])cc1Cl ZINC000902380006 980862573 /nfs/dbraw/zinc/86/25/73/980862573.db2.gz FYRXANQFDBQOBI-IEBDPFPHSA-N -1 0 348.226 3.540 20 0 EHADRM CC(C)(C)[C@@H](NCc1cccc(C(=O)[O-])n1)c1ccc(F)cc1F ZINC000902381410 980863909 /nfs/dbraw/zinc/86/39/09/980863909.db2.gz NDIZRPRAAKPFSX-INIZCTEOSA-N -1 0 334.366 3.935 20 0 EHADRM COc1cc(C)c(NCc2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1F ZINC000902423048 980879977 /nfs/dbraw/zinc/87/99/77/980879977.db2.gz OFPATJFQYISOBL-LBPRGKRZSA-N -1 0 333.359 3.607 20 0 EHADRM CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001595374445 980883791 /nfs/dbraw/zinc/88/37/91/980883791.db2.gz YUZAEDYFCDZHJG-JKSUJKDBSA-N -1 0 348.443 3.751 20 0 EHADRM CCC1(CC)CCC(NC(=O)NCc2cc(C(=O)[O-])c(C)o2)CC1 ZINC001595374511 980884484 /nfs/dbraw/zinc/88/44/84/980884484.db2.gz FOQWURJWAPOBEF-UHFFFAOYSA-N -1 0 336.432 3.834 20 0 EHADRM C[C@H]1[C@H](NCC(F)(F)c2cc(F)cc(F)c2)CC[C@H]1CC(=O)[O-] ZINC000902507365 980914074 /nfs/dbraw/zinc/91/40/74/980914074.db2.gz RISQFPOCRBNNHH-ISTVAULSSA-N -1 0 333.325 3.536 20 0 EHADRM C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000902840064 980944919 /nfs/dbraw/zinc/94/49/19/980944919.db2.gz XMIHYTHYGKWREI-BGTYHANMSA-N -1 0 329.440 3.672 20 0 EHADRM CC[C@@H]1[C@@H](C)CCN1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001595406106 980989678 /nfs/dbraw/zinc/98/96/78/980989678.db2.gz YMJZVYGXBBPYFD-JOYOIKCWSA-N -1 0 342.342 3.639 20 0 EHADRM CC[C@H]1C[C@@H](CC(=O)N2CCCc3c(C(=O)[O-])ccc(C)c32)CCO1 ZINC001595407852 980995194 /nfs/dbraw/zinc/99/51/94/980995194.db2.gz FNWVPXAUZHRJBX-GJZGRUSLSA-N -1 0 345.439 3.568 20 0 EHADRM CC[C@H]1C[C@@H](CNc2ccc(N3CCCCC3)c(C(=O)[O-])c2)CCO1 ZINC001595412259 981009761 /nfs/dbraw/zinc/00/97/61/981009761.db2.gz BISRZYKGELNHIB-RDJZCZTQSA-N -1 0 346.471 3.992 20 0 EHADRM CCC1CCC(NC(=O)[C@H](F)CC2CCCCC2)(C(=O)[O-])CC1 ZINC001595420391 981035147 /nfs/dbraw/zinc/03/51/47/981035147.db2.gz IULAJMAAVWNIAH-NSWWBONSSA-N -1 0 327.440 3.835 20 0 EHADRM CCC1CCC(NC(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)(C(=O)[O-])CC1 ZINC001595420928 981039317 /nfs/dbraw/zinc/03/93/17/981039317.db2.gz QFNCWVMDHITKMV-ZVRSSOJQSA-N -1 0 347.430 3.859 20 0 EHADRM CCC1CCC(NC(=O)OCc2cccc(Cl)c2)(C(=O)[O-])CC1 ZINC001595422333 981041704 /nfs/dbraw/zinc/04/17/04/981041704.db2.gz QSVREYCFEHRIDO-UHFFFAOYSA-N -1 0 339.819 3.990 20 0 EHADRM CC[C@@H]1CCC[C@H]1C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC001595435400 981064485 /nfs/dbraw/zinc/06/44/85/981064485.db2.gz JJFLWLXGVQNKOE-MWLCHTKSSA-N -1 0 333.413 3.601 20 0 EHADRM CC[C@@H]1CCC[C@@]1(C)C(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)[O-] ZINC001595435384 981064516 /nfs/dbraw/zinc/06/45/16/981064516.db2.gz JINXSENMDDGYPG-MBOZVWFJSA-N -1 0 331.456 3.571 20 0 EHADRM CC[C@H]1CCC[C@]1(C)C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC001595436651 981070255 /nfs/dbraw/zinc/07/02/55/981070255.db2.gz SXAAHEAWALETJT-JXFKEZNVSA-N -1 0 347.455 3.763 20 0 EHADRM Cc1cc(CO)cc(Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1 ZINC001211492114 1014703774 /nfs/dbraw/zinc/70/37/74/1014703774.db2.gz LZRRDDLUPXANFO-UHFFFAOYSA-N -1 0 325.286 3.948 20 0 EHADRM CC[C@H]1CCCC[C@@H]1C(=O)Nc1cc(C(F)(F)F)cnc1C(=O)[O-] ZINC001595441242 981078750 /nfs/dbraw/zinc/07/87/50/981078750.db2.gz OWDKDDQSXCENSV-ONGXEEELSA-N -1 0 344.333 3.954 20 0 EHADRM CC[C@@H]1CCCC[C@H]1CNC(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001595441233 981079078 /nfs/dbraw/zinc/07/90/78/981079078.db2.gz OWANVAIIQKZYAV-KGLIPLIRSA-N -1 0 342.439 3.741 20 0 EHADRM CSc1ccc(NC(=O)C[C@@H]2CCC3(CCC3)O2)cc1C(=O)[O-] ZINC000905043475 981086548 /nfs/dbraw/zinc/08/65/48/981086548.db2.gz GVOQRXYUWDLIHI-LBPRGKRZSA-N -1 0 335.425 3.537 20 0 EHADRM CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001595444226 981086916 /nfs/dbraw/zinc/08/69/16/981086916.db2.gz KZZJQYUMOVQCNU-MWLCHTKSSA-N -1 0 325.796 3.524 20 0 EHADRM CC(C)(C)n1ccc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)n1 ZINC000654975397 1014707817 /nfs/dbraw/zinc/70/78/17/1014707817.db2.gz DOOHSNCCTUITCQ-UHFFFAOYSA-N -1 0 328.199 3.903 20 0 EHADRM CC[C@@H]1CCN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])[C@H]1C ZINC001595460448 981144595 /nfs/dbraw/zinc/14/45/95/981144595.db2.gz WWAAWKWHANPQNX-LZWOXQAQSA-N -1 0 332.444 3.669 20 0 EHADRM O=C([O-])c1ccccc1CCN[C@@H](CCc1ccccc1)C(F)F ZINC000905762670 981146061 /nfs/dbraw/zinc/14/60/61/981146061.db2.gz WQNCYZRTIVQHPT-KRWDZBQOSA-N -1 0 333.378 3.783 20 0 EHADRM COc1c(NC(=O)c2cc(C(C)(C)C)oc2C)cccc1C(=O)[O-] ZINC000906499271 981169908 /nfs/dbraw/zinc/16/99/08/981169908.db2.gz GNTJBSUPHNJLIH-UHFFFAOYSA-N -1 0 331.368 3.845 20 0 EHADRM CSCc1cccc(NC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c1 ZINC000907569294 981193505 /nfs/dbraw/zinc/19/35/05/981193505.db2.gz OTSFRUIUZLZAOK-APWZRJJASA-N -1 0 341.432 3.747 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)c3ccc(C4CCCC4)cc3)[C@@H]2C1 ZINC000907957275 981245766 /nfs/dbraw/zinc/24/57/66/981245766.db2.gz NHMHNNQJRZDOHV-TVFCKZIOSA-N -1 0 327.424 3.573 20 0 EHADRM CC[C@H]1Cc2ccccc2CN1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001595499467 981264575 /nfs/dbraw/zinc/26/45/75/981264575.db2.gz JNVNWEPSSMTCHO-HNNXBMFYSA-N -1 0 342.370 3.893 20 0 EHADRM CCSc1ccccc1C(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1 ZINC000908230028 981285057 /nfs/dbraw/zinc/28/50/57/981285057.db2.gz ODJOCVOGMJIZLQ-OAHLLOKOSA-N -1 0 343.448 3.614 20 0 EHADRM O=C([O-])C[C@H](Cc1ccccc1)NC(=O)c1ccccc1C1CCC1 ZINC000908235712 981286465 /nfs/dbraw/zinc/28/64/65/981286465.db2.gz PUYAGVLMLFKYSV-KRWDZBQOSA-N -1 0 337.419 3.770 20 0 EHADRM CC/C=C(\C)C(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC001595507329 981289257 /nfs/dbraw/zinc/28/92/57/981289257.db2.gz DNPFRRYRLTUOAS-VZUCSPMQSA-N -1 0 330.409 3.727 20 0 EHADRM CC(C)(CC(=O)NCCCCC1(C(=O)[O-])CCC1)CC(F)(F)F ZINC000908332460 981300470 /nfs/dbraw/zinc/30/04/70/981300470.db2.gz GOJNGJPUMCGAJQ-UHFFFAOYSA-N -1 0 337.382 3.897 20 0 EHADRM Cc1ccc2occ(CC(=O)NCCCCC3(C(=O)[O-])CCC3)c2c1 ZINC000908337402 981302203 /nfs/dbraw/zinc/30/22/03/981302203.db2.gz AGQNLZKAMVAMAW-UHFFFAOYSA-N -1 0 343.423 3.825 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)CCn2ccc3ccccc32)CCC1 ZINC000908341483 981305256 /nfs/dbraw/zinc/30/52/56/981305256.db2.gz CFIFCXKVRWSSKD-UHFFFAOYSA-N -1 0 342.439 3.573 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C1CCC(C(F)(F)F)CC1)c1cccs1 ZINC000908642071 981331916 /nfs/dbraw/zinc/33/19/16/981331916.db2.gz PIBXFEGAAAFMDG-VQXHTEKXSA-N -1 0 349.374 3.749 20 0 EHADRM Cc1cccc(Cl)c1CC(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000908643232 981332113 /nfs/dbraw/zinc/33/21/13/981332113.db2.gz XDELNRZOWABVMY-CYBMUJFWSA-N -1 0 337.828 3.585 20 0 EHADRM O=C([O-])C12CCC(C(=O)Nc3ccc(-c4nccs4)cc3)(CC1)C2 ZINC000908699009 981340979 /nfs/dbraw/zinc/34/09/79/981340979.db2.gz HUWWNQQEVOZFCS-UHFFFAOYSA-N -1 0 342.420 3.784 20 0 EHADRM CC(C)Oc1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1 ZINC000908713141 981345209 /nfs/dbraw/zinc/34/52/09/981345209.db2.gz OWNBCPQLTBUBTA-UHFFFAOYSA-N -1 0 331.412 3.838 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@H]3CCSc4c(F)cccc43)(CC1)C2 ZINC000908726195 981348644 /nfs/dbraw/zinc/34/86/44/981348644.db2.gz FMRSDHPTXSYKAZ-TZYSRNFLSA-N -1 0 349.427 3.514 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000908737220 981350691 /nfs/dbraw/zinc/35/06/91/981350691.db2.gz AQDBVIVCQPAARW-LJQANCHMSA-N -1 0 341.407 3.958 20 0 EHADRM CN(CCCCc1ccccc1)C(=O)c1ccccc1CCC(=O)[O-] ZINC000908738594 981351111 /nfs/dbraw/zinc/35/11/11/981351111.db2.gz PAHBZOVACQQVNY-UHFFFAOYSA-N -1 0 339.435 3.799 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000908739835 981351189 /nfs/dbraw/zinc/35/11/89/981351189.db2.gz LUNQBLNTNONIRS-GOSISDBHSA-N -1 0 327.380 3.568 20 0 EHADRM Cc1cc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)ccc1OC(C)C ZINC000908828987 981369727 /nfs/dbraw/zinc/36/97/27/981369727.db2.gz TUAJJDGQUHIMPB-UHFFFAOYSA-N -1 0 331.412 3.756 20 0 EHADRM CCC[C@@H](C(=O)N[C@H](C(=O)[O-])C(C)(C)C)c1cccc(Cl)c1 ZINC001595535473 981377465 /nfs/dbraw/zinc/37/74/65/981377465.db2.gz CWZKGBUKAWOBAH-ZIAGYGMSSA-N -1 0 325.836 3.839 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1ccc(NCc2ccsc2)cc1 ZINC000908947804 981391041 /nfs/dbraw/zinc/39/10/41/981391041.db2.gz YWLMZZKLXDDEHG-UHFFFAOYSA-N -1 0 346.452 3.733 20 0 EHADRM CCC[C@](C)(CC)C(=O)Nc1nc2nc(C)cc(C(=O)[O-])c2s1 ZINC001595542697 981405038 /nfs/dbraw/zinc/40/50/38/981405038.db2.gz XPFVCQWXGJDRFN-INIZCTEOSA-N -1 0 335.429 3.853 20 0 EHADRM CC(C)c1scnc1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000909331107 981470035 /nfs/dbraw/zinc/47/00/35/981470035.db2.gz GRIFXRZCYLHPLF-UHFFFAOYSA-N -1 0 348.424 3.762 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)C2(C(F)(F)F)CCC2)cc1 ZINC000909331543 981470101 /nfs/dbraw/zinc/47/01/01/981470101.db2.gz KSSMNXZSABXCGG-UHFFFAOYSA-N -1 0 345.317 3.601 20 0 EHADRM CN(CCCc1ccccc1)C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000909401996 981484573 /nfs/dbraw/zinc/48/45/73/981484573.db2.gz IQKSEVNKSWSADB-UHFFFAOYSA-N -1 0 329.440 3.503 20 0 EHADRM CC[C@@H]1CN(C(=O)c2ccoc2CC(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000909415398 981489599 /nfs/dbraw/zinc/48/95/99/981489599.db2.gz ONBBFRZILBZOLS-ZBFHGGJFSA-N -1 0 341.407 3.563 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c2nccc(C)c2c1 ZINC000909478053 981504931 /nfs/dbraw/zinc/50/49/31/981504931.db2.gz LSMBDMALNMQWTF-OAHLLOKOSA-N -1 0 340.423 3.569 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@H]1CCC(=O)c2ccccc21 ZINC000909513042 981520618 /nfs/dbraw/zinc/52/06/18/981520618.db2.gz MTEFDDSPCIJZBT-HNNXBMFYSA-N -1 0 337.375 3.700 20 0 EHADRM CCC[C@@H](CC(C)C)C(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2 ZINC001595586118 981529125 /nfs/dbraw/zinc/52/91/25/981529125.db2.gz PHFGWZJQGBKDFG-RYUDHWBXSA-N -1 0 338.473 3.734 20 0 EHADRM CCC[C@@H](CC)C(=O)N[C@@H](C(=O)[O-])c1ccccc1Br ZINC001595586361 981531963 /nfs/dbraw/zinc/53/19/63/981531963.db2.gz XIAXEJKSKBVUEF-ZWNOBZJWSA-N -1 0 342.233 3.517 20 0 EHADRM CCC[C@H](CC)NC(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001595587392 981541190 /nfs/dbraw/zinc/54/11/90/981541190.db2.gz KPTDKUDWKRXRFB-QWHCGFSZSA-N -1 0 346.349 3.866 20 0 EHADRM CCC[C@@H](NC(=O)/C=C/c1cc(C(=O)[O-])co1)c1ccc(F)cc1F ZINC001595598643 981568547 /nfs/dbraw/zinc/56/85/47/981568547.db2.gz MWMWBPJVYUJBCP-BIENSFFJSA-N -1 0 349.333 3.927 20 0 EHADRM CCC[C@@H](NC(=O)Nc1cccc(C(=O)[O-])n1)c1ccc(F)cc1F ZINC001595599631 981572599 /nfs/dbraw/zinc/57/25/99/981572599.db2.gz DAHDLXXGIMDBNS-CYBMUJFWSA-N -1 0 349.337 3.721 20 0 EHADRM CCC[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1ccc(F)cc1F ZINC001595600084 981577007 /nfs/dbraw/zinc/57/70/07/981577007.db2.gz KIJWRTRWQXJAMC-MRXNPFEDSA-N -1 0 333.334 3.934 20 0 EHADRM CC(C)(C)[C@@H]1CN(C(=O)c2ccoc2CC(=O)[O-])c2ccccc21 ZINC000909730370 981583451 /nfs/dbraw/zinc/58/34/51/981583451.db2.gz HYOURXSWTZQEOP-CQSZACIVSA-N -1 0 327.380 3.697 20 0 EHADRM C[C@@H](c1ccc(C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)[O-])cc1)C(F)(F)F ZINC000909780013 981617464 /nfs/dbraw/zinc/61/74/64/981617464.db2.gz IQTDZMQXVJYTBJ-UHIISALHSA-N -1 0 343.345 3.678 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)CC(C)(C)Cc1ccc(Cl)cc1 ZINC000909804072 981633198 /nfs/dbraw/zinc/63/31/98/981633198.db2.gz AYJYYYRRRYYUFJ-DOMZBBRYSA-N -1 0 337.847 3.620 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(F)F)cc1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000909817512 981639135 /nfs/dbraw/zinc/63/91/35/981639135.db2.gz CELGGLONUAFDSU-BLLLJJGKSA-N -1 0 347.361 3.686 20 0 EHADRM Cc1ccc(C(=O)N[C@H](C)[C@H](Cc2ccccc2)C(=O)[O-])c(Cl)c1 ZINC000909819642 981641115 /nfs/dbraw/zinc/64/11/15/981641115.db2.gz KXRRFMJCLKSPPT-CJNGLKHVSA-N -1 0 345.826 3.710 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cccc(N3CCCC3)c2)cc1 ZINC000909837454 981657986 /nfs/dbraw/zinc/65/79/86/981657986.db2.gz VVVLKODVLXXXIF-AWEZNQCLSA-N -1 0 338.407 3.727 20 0 EHADRM C[C@@H](c1ccc(C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)cc1)C(F)(F)F ZINC000909841704 981662815 /nfs/dbraw/zinc/66/28/15/981662815.db2.gz JKSDEBCKLHMZFW-MEDUHNTESA-N -1 0 343.345 3.679 20 0 EHADRM O=C([O-])Cc1c2ccccc2[nH]c1C(=O)N1CCCC[C@@H]1C1CCC1 ZINC000909872467 981693483 /nfs/dbraw/zinc/69/34/83/981693483.db2.gz XGRXZPSSLIGTDM-QGZVFWFLSA-N -1 0 340.423 3.590 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(C(F)F)cc2)[C@H]2CCCC[C@@H]12 ZINC000909954458 981709851 /nfs/dbraw/zinc/70/98/51/981709851.db2.gz DAWJWFNMKSPJBA-ZNMIVQPWSA-N -1 0 337.366 3.730 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2coc3cc(F)ccc23)[C@H]2CCCC[C@@H]12 ZINC000909960966 981714646 /nfs/dbraw/zinc/71/46/46/981714646.db2.gz LTSRASHNCJQXJF-BJJXKVORSA-N -1 0 345.370 3.677 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)Cc1cccc2cnccc21)c1ccccc1 ZINC001594767133 981724401 /nfs/dbraw/zinc/72/44/01/981724401.db2.gz BYYOFKPDXUUGOR-IBGZPJMESA-N -1 0 348.402 3.674 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@H]1CCOC2(CCCC2)C1)c1ccccc1 ZINC001594768335 981730041 /nfs/dbraw/zinc/73/00/41/981730041.db2.gz VSUYTMMMXIANNC-RDJZCZTQSA-N -1 0 345.439 3.622 20 0 EHADRM CCCSCC(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC000910080883 981754156 /nfs/dbraw/zinc/75/41/56/981754156.db2.gz CFUKHXGIWPLWTB-UHFFFAOYSA-N -1 0 346.246 3.537 20 0 EHADRM Cc1c(NC(=O)[C@H](C)C(C)C)cc(Br)cc1C(=O)[O-] ZINC000910083315 981754371 /nfs/dbraw/zinc/75/43/71/981754371.db2.gz JYNXCNJGPJABNF-MRVPVSSYSA-N -1 0 328.206 3.686 20 0 EHADRM CCC/C=C/C(=O)OCc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001595626612 981762597 /nfs/dbraw/zinc/76/25/97/981762597.db2.gz XAVBMHDPECJDEK-SNAWJCMRSA-N -1 0 331.393 3.908 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCC[C@H]1c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC000910154164 981767458 /nfs/dbraw/zinc/76/74/58/981767458.db2.gz WPRDDPKLNPQFEA-UBHSHLNASA-N -1 0 344.436 3.602 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@H]1Cc2ccc(C)cc2S1 ZINC001594779536 981781078 /nfs/dbraw/zinc/78/10/78/981781078.db2.gz APZLLJMNJYACEJ-VQIMIIECSA-N -1 0 347.480 3.504 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)CCc1ccc(C)cc1C ZINC001594780894 981786013 /nfs/dbraw/zinc/78/60/13/981786013.db2.gz IXDGFVIRFTTWIQ-HXUWFJFHSA-N -1 0 331.456 3.728 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)C[C@@H](C)c1ccccc1C ZINC001594781185 981786311 /nfs/dbraw/zinc/78/63/11/981786311.db2.gz JLZSBCRJWAENPA-FOIQADDNSA-N -1 0 331.456 3.981 20 0 EHADRM CC1(/C=C/C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CCOCC1 ZINC000910247989 981819467 /nfs/dbraw/zinc/81/94/67/981819467.db2.gz QGKUDUPQDHTJBP-CMDGGOBGSA-N -1 0 339.391 3.849 20 0 EHADRM CN(C(=O)c1csc(C(=O)[O-])n1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000910250490 981824753 /nfs/dbraw/zinc/82/47/53/981824753.db2.gz LOSRBKOXIOFUII-ZFWWWQNUSA-N -1 0 344.436 3.640 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000910252314 981827184 /nfs/dbraw/zinc/82/71/84/981827184.db2.gz RPNKYUFOGOVXDK-OAHLLOKOSA-N -1 0 349.333 3.552 20 0 EHADRM CCCC[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC001595631364 981838120 /nfs/dbraw/zinc/83/81/20/981838120.db2.gz MUYGVAFZLUISPO-GXFFZTMASA-N -1 0 342.233 3.517 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)cc1C ZINC000910297312 981850762 /nfs/dbraw/zinc/85/07/62/981850762.db2.gz WTFOYMUCGCGINS-ZWKOTPCHSA-N -1 0 337.375 3.638 20 0 EHADRM CCCC[C@@H](CC)CNC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001595632996 981864618 /nfs/dbraw/zinc/86/46/18/981864618.db2.gz YWAMDHUVQXRZMP-LLVKDONJSA-N -1 0 332.404 3.599 20 0 EHADRM CCCC[C@H](CCC)NC(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001595633373 981870284 /nfs/dbraw/zinc/87/02/84/981870284.db2.gz JARSMPODEVMQSI-NSHDSACASA-N -1 0 327.812 3.914 20 0 EHADRM CCCC[C@H](NC(=O)CC(C)(C)CC(=O)c1ccc(C)cc1)C(=O)[O-] ZINC001595634221 981883897 /nfs/dbraw/zinc/88/38/97/981883897.db2.gz AQWIBWDVNINPJB-INIZCTEOSA-N -1 0 347.455 3.744 20 0 EHADRM COc1ccc(C2CC2)c(NC(=O)CC2(CC(=O)[O-])CCCC2)c1 ZINC000910360692 981890840 /nfs/dbraw/zinc/89/08/40/981890840.db2.gz HQOSTHFASPRWES-UHFFFAOYSA-N -1 0 331.412 3.936 20 0 EHADRM CCC(C)(C)NC(=O)[C@H](C)SCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001594805308 981906754 /nfs/dbraw/zinc/90/67/54/981906754.db2.gz YKJHFJQVJGEZRJ-JTQLQIEISA-N -1 0 343.876 3.965 20 0 EHADRM CCCC[C@@H](NC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)C1CCC1 ZINC001595635858 981909174 /nfs/dbraw/zinc/90/91/74/981909174.db2.gz NWQPEHSDZYTDAO-CMPLNLGQSA-N -1 0 339.461 3.560 20 0 EHADRM C[C@H](Nc1nc(C2CCCC2)ns1)c1ccc(OCC(=O)[O-])cc1 ZINC000910467034 981949596 /nfs/dbraw/zinc/94/95/96/981949596.db2.gz QQUVBDYZZBHKMS-NSHDSACASA-N -1 0 347.440 3.832 20 0 EHADRM CCCC[C@@H](S[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-])C(=O)OC ZINC001595651882 982027707 /nfs/dbraw/zinc/02/77/07/982027707.db2.gz LXVYRIUKUDKWDJ-KGLIPLIRSA-N -1 0 344.860 3.801 20 0 EHADRM CCCC[C@H](S[C@H](C)C(=O)Nc1ccccc1OCC)C(=O)[O-] ZINC001595651958 982028761 /nfs/dbraw/zinc/02/87/61/982028761.db2.gz MZUFVVYGEQFEPG-DOMZBBRYSA-N -1 0 339.457 3.789 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000910625004 982033980 /nfs/dbraw/zinc/03/39/80/982033980.db2.gz ZYEGRBVVCKDBLS-QWHCGFSZSA-N -1 0 331.393 3.587 20 0 EHADRM CCc1c(NC(=O)c2cccc(C(=O)[O-])c2)cnn1C(CC)CC ZINC000910657433 982044870 /nfs/dbraw/zinc/04/48/70/982044870.db2.gz YYYMNEKGDWRUGJ-UHFFFAOYSA-N -1 0 329.400 3.757 20 0 EHADRM CC[C@@](C)(NC(=O)c1cc(C)cc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001594842727 982064853 /nfs/dbraw/zinc/06/48/53/982064853.db2.gz VHZOXTZIVYEELF-LJQANCHMSA-N -1 0 329.371 3.888 20 0 EHADRM CSc1ccccc1C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC000910698984 982069923 /nfs/dbraw/zinc/06/99/23/982069923.db2.gz KUHSXARIGBQXSL-UHFFFAOYSA-N -1 0 336.438 3.939 20 0 EHADRM CCCC[C@H]1CCC[C@H]1NC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001595661106 982073857 /nfs/dbraw/zinc/07/38/57/982073857.db2.gz PJJKRHJBXKOKCU-BLLLJJGKSA-N -1 0 336.407 3.682 20 0 EHADRM CCCCC1CCC(NC(=O)Nc2cnc(C)c(C(=O)[O-])c2)CC1 ZINC001595661492 982075851 /nfs/dbraw/zinc/07/58/51/982075851.db2.gz VSLAZUFCAOLUCF-UHFFFAOYSA-N -1 0 333.432 3.959 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)Nc1nc2ccccc2n1C1CC1 ZINC000910712704 982077973 /nfs/dbraw/zinc/07/79/73/982077973.db2.gz RQTNEHWYLCTVFQ-UHFFFAOYSA-N -1 0 349.390 3.641 20 0 EHADRM CCC(CC)[C@H](C)C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910717637 982080148 /nfs/dbraw/zinc/08/01/48/982080148.db2.gz FAYSCSBPOFVFGS-GWCFXTLKSA-N -1 0 338.473 3.886 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)CC(C)(C)C2CC2)nc1C(=O)[O-] ZINC000910721385 982084031 /nfs/dbraw/zinc/08/40/31/982084031.db2.gz KAMWXKZHBNSWIF-LBPRGKRZSA-N -1 0 336.457 3.640 20 0 EHADRM CCCCC[C@H](C)NC(=O)CNc1cc(C(=O)[O-])ccc1Cl ZINC001595666349 982099470 /nfs/dbraw/zinc/09/94/70/982099470.db2.gz IZDMJZIOKIMXSY-NSHDSACASA-N -1 0 326.824 3.535 20 0 EHADRM CCCCC[C@@H](NC(=O)[C@H](C)Oc1cccc2ccccc21)C(=O)[O-] ZINC001595670722 982121155 /nfs/dbraw/zinc/12/11/55/982121155.db2.gz UTSQMZBHEVCQPZ-WMLDXEAASA-N -1 0 343.423 3.757 20 0 EHADRM CCCCC[C@H](CC)C(=O)Nc1cc(C(=O)[O-])ccc1C(=O)OC ZINC001595670958 982121219 /nfs/dbraw/zinc/12/12/19/982121219.db2.gz WCKUUJPHKOCTHC-LBPRGKRZSA-N -1 0 335.400 3.716 20 0 EHADRM CCCCC[C@H](NC(=O)c1cc(Cl)nc(C(C)(C)C)c1)C(=O)[O-] ZINC001595677309 982151375 /nfs/dbraw/zinc/15/13/75/982151375.db2.gz WVVFSGGIPUWTHC-LBPRGKRZSA-N -1 0 340.851 3.796 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)c(O)c1 ZINC000108982612 1014806133 /nfs/dbraw/zinc/80/61/33/1014806133.db2.gz VYAJPWSZLLCHOM-UHFFFAOYSA-N -1 0 348.406 3.548 20 0 EHADRM CCCCC[C@@H](NC(=O)c1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC001595681717 982163528 /nfs/dbraw/zinc/16/35/28/982163528.db2.gz TTXSPYXBXRFGHD-CYBMUJFWSA-N -1 0 332.425 3.573 20 0 EHADRM CCCCC[C@H](O)C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001595690373 982195727 /nfs/dbraw/zinc/19/57/27/982195727.db2.gz JNJDKIPYXIYODC-SJORKVTESA-N -1 0 349.471 3.557 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)Nc2ccccc2N2CCCCC2)o1 ZINC000911091262 982231500 /nfs/dbraw/zinc/23/15/00/982231500.db2.gz DWZNTRQUMSLFDN-PKNBQFBNSA-N -1 0 340.379 3.620 20 0 EHADRM CCCCCCO[C@@H](C)C(=O)N1c2ccccc2C[C@H](C)[C@@H]1C(=O)[O-] ZINC001595710073 982292631 /nfs/dbraw/zinc/29/26/31/982292631.db2.gz BHVXUBVHBKWHFA-RLFYNMQTSA-N -1 0 347.455 3.650 20 0 EHADRM CCCCCCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)[O-])cc1 ZINC001595714808 982311306 /nfs/dbraw/zinc/31/13/06/982311306.db2.gz HCYPGDZPYISRPI-INIZCTEOSA-N -1 0 348.468 3.523 20 0 EHADRM CCCCCOc1ccc(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)cc1 ZINC001595721759 982337444 /nfs/dbraw/zinc/33/74/44/982337444.db2.gz SRDGAXVAQQPXKT-MRXNPFEDSA-N -1 0 335.444 3.875 20 0 EHADRM CCCCCOc1cc(C)ccc1CNC(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001595722136 982339424 /nfs/dbraw/zinc/33/94/24/982339424.db2.gz VEHIALFACTWPFX-UHFFFAOYSA-N -1 0 344.411 3.520 20 0 EHADRM CC/C(C)=C\C(=O)N(Cc1ccoc1C(=O)[O-])[C@H](C)c1ccccn1 ZINC000911326948 982352006 /nfs/dbraw/zinc/35/20/06/982352006.db2.gz AYQAESFDJZZSFS-YBEMTRGBSA-N -1 0 342.395 3.819 20 0 EHADRM CCCCN(C(=O)c1cccc(C(=O)[O-])n1)[C@@H](C)c1ccccc1 ZINC001595735238 982376762 /nfs/dbraw/zinc/37/67/62/982376762.db2.gz AOHIVJZIIRKBCZ-AWEZNQCLSA-N -1 0 326.396 3.783 20 0 EHADRM CCCCN(C(=O)c1csc(C(=O)[O-])n1)[C@@H](C)c1ccccc1 ZINC001595736084 982382165 /nfs/dbraw/zinc/38/21/65/982382165.db2.gz VUQWIMKYRWZHFE-LBPRGKRZSA-N -1 0 332.425 3.845 20 0 EHADRM CCCCN(CCCC)C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001595744398 982407479 /nfs/dbraw/zinc/40/74/79/982407479.db2.gz DGMXYGIFXSFZCZ-UHFFFAOYSA-N -1 0 327.812 3.867 20 0 EHADRM Cc1ncc(-c2ccccc2)cc1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000911429651 982430149 /nfs/dbraw/zinc/43/01/49/982430149.db2.gz DSTHZVMCPSWLPA-HOTGVXAUSA-N -1 0 338.407 3.887 20 0 EHADRM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)C12CC(C(=O)[O-])(C1)C2 ZINC000911493299 982454119 /nfs/dbraw/zinc/45/41/19/982454119.db2.gz LPLMBYMXJLQKPH-WPUWVODUSA-N -1 0 342.439 3.567 20 0 EHADRM CCCCO[C@@H](C)C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)[O-] ZINC001595765382 982491497 /nfs/dbraw/zinc/49/14/97/982491497.db2.gz NKZKPCKLIJNZKR-QMMMGPOBSA-N -1 0 334.199 3.835 20 0 EHADRM CCCCO[C@@H]1C[C@@H](NC(=O)CC2(CC(=O)[O-])CCCC2)C1(C)C ZINC001595769613 982498924 /nfs/dbraw/zinc/49/89/24/982498924.db2.gz CMVZMZUZWPCZNG-HUUCEWRRSA-N -1 0 339.476 3.512 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1ccccc1N[C@@H](C)c1ccccc1 ZINC000911557822 982501090 /nfs/dbraw/zinc/50/10/90/982501090.db2.gz JTFAQHWLKZXIDZ-DZGCQCFKSA-N -1 0 326.396 3.909 20 0 EHADRM CC[C@H](C)[C@@H](OC)C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001594927347 982523663 /nfs/dbraw/zinc/52/36/63/982523663.db2.gz STHKYNUHKXVOPF-FDQGKXFDSA-N -1 0 349.471 3.677 20 0 EHADRM CCCCOCCNC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001595771901 982523846 /nfs/dbraw/zinc/52/38/46/982523846.db2.gz NXKRAGSWOBJKSB-UHFFFAOYSA-N -1 0 336.413 3.538 20 0 EHADRM CCCCOc1ccc(C(=O)Oc2ccc(C(=O)[O-])c(OC)c2)cc1 ZINC001595775514 982537408 /nfs/dbraw/zinc/53/74/08/982537408.db2.gz HZSVYJWWONDHCS-UHFFFAOYSA-N -1 0 344.363 3.792 20 0 EHADRM CC[C@H](C)[C@H](SCC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC001594930433 982552217 /nfs/dbraw/zinc/55/22/17/982552217.db2.gz WVYTYPMNVNRKOC-JSGCOSHPSA-N -1 0 345.505 3.866 20 0 EHADRM CCCCOc1ccccc1NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001595780744 982552875 /nfs/dbraw/zinc/55/28/75/982552875.db2.gz GBAIWVOCYWVRLT-LUAWRHEFSA-N -1 0 329.352 3.809 20 0 EHADRM CCCCOc1cccc(NCc2ccccc2OCC(=O)[O-])c1 ZINC001595781255 982561579 /nfs/dbraw/zinc/56/15/79/982561579.db2.gz VXYAGKLKYCRQBZ-UHFFFAOYSA-N -1 0 329.396 3.941 20 0 EHADRM CCCCS[C@H](C)C(=O)Oc1cc(/C=C\C(=O)[O-])ccc1OC ZINC001595788861 982586097 /nfs/dbraw/zinc/58/60/97/982586097.db2.gz DQZQNRSBIITHEY-ZVTBTPLYSA-N -1 0 338.425 3.620 20 0 EHADRM CC(C)[C@H](CC(=O)N[C@H](CC(=O)[O-])c1ccncc1)c1ccccc1 ZINC000911659200 982589134 /nfs/dbraw/zinc/58/91/34/982589134.db2.gz XSCADZYHNWALJV-ZWKOTPCHSA-N -1 0 340.423 3.544 20 0 EHADRM CCCCc1ccc(C(=O)NC[C@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC001595794106 982599131 /nfs/dbraw/zinc/59/91/31/982599131.db2.gz ZJOAAZBTXWITPR-IBGZPJMESA-N -1 0 339.435 3.936 20 0 EHADRM CCCCc1ccc(CC(=O)Nc2ccc(C(=O)[O-])cc2OC)cc1 ZINC001595796152 982600699 /nfs/dbraw/zinc/60/06/99/982600699.db2.gz IAJZHGVJQJRTRQ-UHFFFAOYSA-N -1 0 341.407 3.917 20 0 EHADRM C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000911680454 982601218 /nfs/dbraw/zinc/60/12/18/982601218.db2.gz WXWDWHFVPVDGCZ-BXUZGUMPSA-N -1 0 343.345 3.507 20 0 EHADRM CCCCc1nc2cc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])ccc2[nH]1 ZINC001595799423 982613157 /nfs/dbraw/zinc/61/31/57/982613157.db2.gz PSUKBTYCVMOKII-UONOGXRCSA-N -1 0 343.427 3.735 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)Cc1ccccc1OC1CCCC1)C(=O)[O-] ZINC001594941769 982614222 /nfs/dbraw/zinc/61/42/22/982614222.db2.gz CEROHDMJBAQRBG-PBHICJAKSA-N -1 0 347.455 3.556 20 0 EHADRM CCCCc1oc2ccccc2c1CN(C)c1ccc(C(=O)[O-])nn1 ZINC001595801987 982616877 /nfs/dbraw/zinc/61/68/77/982616877.db2.gz GFYBZNZEPNUNFF-UHFFFAOYSA-N -1 0 339.395 3.900 20 0 EHADRM CO[C@@H]1CCC[C@@H](CC(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)C1 ZINC000911734523 982619118 /nfs/dbraw/zinc/61/91/18/982619118.db2.gz UMIAPHLSDIAWAN-ZIAGYGMSSA-N -1 0 349.427 3.706 20 0 EHADRM CC(C)Oc1c(NC(=O)C[C@H](C)C(F)(F)F)cccc1C(=O)[O-] ZINC000911734495 982619208 /nfs/dbraw/zinc/61/92/08/982619208.db2.gz SXVIUUPQUUQWGG-VIFPVBQESA-N -1 0 333.306 3.699 20 0 EHADRM CO[C@H]1CCC[C@H](CC(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)C1 ZINC000911734520 982619218 /nfs/dbraw/zinc/61/92/18/982619218.db2.gz UMIAPHLSDIAWAN-KBPBESRZSA-N -1 0 349.427 3.706 20 0 EHADRM CC(C)Oc1c(NC(=O)c2ccc(C(F)F)o2)cccc1C(=O)[O-] ZINC000911734651 982619289 /nfs/dbraw/zinc/61/92/89/982619289.db2.gz VYEUUSREILSZEY-UHFFFAOYSA-N -1 0 339.294 3.955 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)c1cc2c(cccc2N(C)C)s1)C(=O)[O-] ZINC001594945145 982630642 /nfs/dbraw/zinc/63/06/42/982630642.db2.gz NPTWJSHQUJCJEH-DGCLKSJQSA-N -1 0 348.468 3.587 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)c1cccc(-c2csc(C)n2)c1)C(=O)[O-] ZINC001594945715 982634707 /nfs/dbraw/zinc/63/47/07/982634707.db2.gz GLVPOEBWVCRJBS-NHYWBVRUSA-N -1 0 346.452 3.738 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)NC[C@H](c1ccccc1)C1CC1 ZINC000911758566 982635150 /nfs/dbraw/zinc/63/51/50/982635150.db2.gz YQIWZOKOIYKLMT-LJQANCHMSA-N -1 0 337.419 3.627 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)c1ccc(Oc2ccccc2)o1)C(=O)[O-] ZINC001594946147 982638866 /nfs/dbraw/zinc/63/88/66/982638866.db2.gz LKKRDPLJWYSKJC-JSGCOSHPSA-N -1 0 331.368 3.691 20 0 EHADRM CCCc1ccccc1NC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000914745136 982659503 /nfs/dbraw/zinc/65/95/03/982659503.db2.gz YASBQMLSWGKIQW-UHFFFAOYSA-N -1 0 336.391 3.931 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2F)nc1 ZINC000914841799 982660186 /nfs/dbraw/zinc/66/01/86/982660186.db2.gz YVIPNURVJBDYMY-UHFFFAOYSA-N -1 0 336.322 3.838 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc(-c3cccc(F)c3)no2)ccc1F ZINC000915150588 982664293 /nfs/dbraw/zinc/66/42/93/982664293.db2.gz YRNIUDRJTKQSMP-UHFFFAOYSA-N -1 0 344.273 3.570 20 0 EHADRM CCCN(C(=O)/C=C/c1ccc2cc(OC)ccc2c1)[C@H](C)C(=O)[O-] ZINC001595817520 982681479 /nfs/dbraw/zinc/68/14/79/982681479.db2.gz UIBWSCMJSYVKDH-OAUONFCTSA-N -1 0 341.407 3.573 20 0 EHADRM CCCN(C(=O)Cc1ccc(C(=O)[O-])cc1)[C@@H]1CCc2ccccc21 ZINC001595821912 982690889 /nfs/dbraw/zinc/69/08/89/982690889.db2.gz NMDKGSXVVITNDZ-LJQANCHMSA-N -1 0 337.419 3.853 20 0 EHADRM CCCN(C(=O)Nc1c(C(=O)[O-])cnn1C)[C@H](CC)c1ccccc1 ZINC001595822371 982692537 /nfs/dbraw/zinc/69/25/37/982692537.db2.gz OQDSMWBQMOLVAC-OAHLLOKOSA-N -1 0 344.415 3.514 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)C2(CCc3ccccc3)CC2)C1 ZINC000923068335 982705303 /nfs/dbraw/zinc/70/53/03/982705303.db2.gz FLMCUQNHMXWBOV-KRWDZBQOSA-N -1 0 343.467 3.749 20 0 EHADRM CCCN(C(=O)c1cc(C2CC2)nc2ccc(C)cc21)[C@@H](C)C(=O)[O-] ZINC001595824756 982707112 /nfs/dbraw/zinc/70/71/12/982707112.db2.gz UQXXTPUHFWNYEF-ZDUSSCGKSA-N -1 0 340.423 3.746 20 0 EHADRM CCCN(C(=O)c1ccc(Oc2ccc(C)cn2)cc1)[C@@H](C)C(=O)[O-] ZINC001595827261 982712051 /nfs/dbraw/zinc/71/20/51/982712051.db2.gz OKRPCSIORFIKDA-AWEZNQCLSA-N -1 0 342.395 3.508 20 0 EHADRM CCOc1ccc(C(=O)Nc2cc(C(=O)[O-])sc2C)cc1OCC ZINC000923092585 982718169 /nfs/dbraw/zinc/71/81/69/982718169.db2.gz SEFYZRPNAGHJNS-UHFFFAOYSA-N -1 0 349.408 3.804 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)c1cccc([C@H]2CCOC2)c1 ZINC000923094718 982719473 /nfs/dbraw/zinc/71/94/73/982719473.db2.gz NFHDQIKXUOMXMO-ZDUSSCGKSA-N -1 0 331.393 3.511 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)[C@H](C)CCOc1ccccc1 ZINC000923094788 982719547 /nfs/dbraw/zinc/71/95/47/982719547.db2.gz QCRHILKVNQTYPD-LLVKDONJSA-N -1 0 333.409 3.798 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)nc1C(=O)[O-] ZINC000923107101 982729331 /nfs/dbraw/zinc/72/93/31/982729331.db2.gz MLVQLWMDYKMXOS-YIYPIFLZSA-N -1 0 348.468 3.640 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)NCc2ccc(Cl)cc2)cc1 ZINC000108066679 1014876970 /nfs/dbraw/zinc/87/69/70/1014876970.db2.gz CITSUQKXNBXMIA-HSZRJFAPSA-N -1 0 349.883 3.887 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCCc1ccc2ccccc2c1 ZINC000923152405 982764432 /nfs/dbraw/zinc/76/44/32/982764432.db2.gz CTYHNKGUZLEHKF-DNVCBOLYSA-N -1 0 339.435 3.874 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 ZINC001595846438 982773272 /nfs/dbraw/zinc/77/32/72/982773272.db2.gz ADJRWCOKHIRWEZ-CSKARUKUSA-N -1 0 347.411 3.891 20 0 EHADRM CC[C@H](C)N1C(=O)N[C@@H](c2cc(C)c(OC)c(C)c2)C(C(=O)[O-])=C1C ZINC001594985206 982797186 /nfs/dbraw/zinc/79/71/86/982797186.db2.gz JSXIZBFDIUGZSV-LRDDRELGSA-N -1 0 346.427 3.535 20 0 EHADRM CCCN(CC(F)F)[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001595864267 982814208 /nfs/dbraw/zinc/81/42/08/982814208.db2.gz ZMWGPHDFBLINAR-GFCCVEGCSA-N -1 0 325.277 3.808 20 0 EHADRM CCCN(CCC)C(=O)c1ccc(N[C@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC001595872673 982859399 /nfs/dbraw/zinc/85/93/99/982859399.db2.gz DKAZMYYBPUNVCM-RDJZCZTQSA-N -1 0 332.444 3.614 20 0 EHADRM CCCN(CCC)c1ccc(NC(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)cc1 ZINC001595879201 982879593 /nfs/dbraw/zinc/87/95/93/982879593.db2.gz ICZIEOKFIAMFHI-YOEHRIQHSA-N -1 0 347.459 3.640 20 0 EHADRM CCCN(Cc1c(F)cccc1Cl)C(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001595885982 982912068 /nfs/dbraw/zinc/91/20/68/982912068.db2.gz QVUFIUBWFQRTMS-UHFFFAOYSA-N -1 0 338.766 3.558 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)Nc2cnc(C(=O)[O-])c(Cl)c2)cc1 ZINC001595000316 982912522 /nfs/dbraw/zinc/91/25/22/982912522.db2.gz VGKYXFMLMORNRV-JTQLQIEISA-N -1 0 348.786 3.863 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)N[C@@](C)(CC(=O)[O-])C1CC1 ZINC001595003742 982916209 /nfs/dbraw/zinc/91/62/09/982916209.db2.gz FJNWSECSBFZHEY-POOPJQKZSA-N -1 0 345.439 3.637 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001595004654 982918376 /nfs/dbraw/zinc/91/83/76/982918376.db2.gz JNBQJXMKLIOFKD-WLYFTNNPSA-N -1 0 345.439 3.637 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)N[C@H](CC(C)(C)C)C(=O)[O-] ZINC001595005716 982920738 /nfs/dbraw/zinc/92/07/38/982920738.db2.gz QWFRAHVNIWHBHF-IXVOVUJJSA-N -1 0 347.455 3.883 20 0 EHADRM CC[C@H](C)Oc1cccc(NCc2ccccc2O[C@@H](C)C(=O)[O-])n1 ZINC001595007648 982925664 /nfs/dbraw/zinc/92/56/64/982925664.db2.gz DYMVVKDECIHICV-KBPBESRZSA-N -1 0 344.411 3.723 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H](C)OC2CCCCCC2)cc1 ZINC001116479144 982930152 /nfs/dbraw/zinc/93/01/52/982930152.db2.gz KFPJLLXMMBWTAY-YJBOKZPZSA-N -1 0 347.455 3.755 20 0 EHADRM COc1ccc(C[C@@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2C)cc1 ZINC001116491204 982930940 /nfs/dbraw/zinc/93/09/40/982930940.db2.gz IAGUZRUXMWTMDB-CYBMUJFWSA-N -1 0 327.380 3.519 20 0 EHADRM CC[C@H](C)c1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2F)cc1 ZINC001595009901 982937932 /nfs/dbraw/zinc/93/79/32/982937932.db2.gz LBYNGURTNUKACN-LBPRGKRZSA-N -1 0 329.371 3.967 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)c1 ZINC001595010007 982938610 /nfs/dbraw/zinc/93/86/10/982938610.db2.gz ZNNUBKQLDUDGIZ-XYJCDUHRSA-N -1 0 331.412 3.838 20 0 EHADRM CC[C@@H](C)c1ccc(C(=O)NCc2ccccc2CC(=O)[O-])cc1 ZINC001595010813 982943329 /nfs/dbraw/zinc/94/33/29/982943329.db2.gz YPEQYNBDOROVAB-CQSZACIVSA-N -1 0 325.408 3.757 20 0 EHADRM CCCN(Cc1ccc(OC)cc1)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001595899060 982947436 /nfs/dbraw/zinc/94/74/36/982947436.db2.gz AOGVALARMJNDJO-UHFFFAOYSA-N -1 0 347.455 3.859 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CC3(CCCC3)c3cccc(F)c32)o1 ZINC001119589947 982997632 /nfs/dbraw/zinc/99/76/32/982997632.db2.gz DZUOEFKNBARKMF-UHFFFAOYSA-N -1 0 329.327 3.589 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)CC1(C(F)(F)F)CC1 ZINC001119644971 983012324 /nfs/dbraw/zinc/01/23/24/983012324.db2.gz OHLQETDHDHCFKH-UHFFFAOYSA-N -1 0 343.345 3.613 20 0 EHADRM CCCOc1ccc(-c2noc([C@@H]3CC[C@H](C(=O)[O-])C3)n2)cc1OC ZINC001595951928 983124502 /nfs/dbraw/zinc/12/45/02/983124502.db2.gz GZQZPZCQTZIUGG-OLZOCXBDSA-N -1 0 346.383 3.502 20 0 EHADRM CCCOc1ccc(C(=O)Oc2ccc(C(=O)[O-])cc2)cc1OCC ZINC001595954466 983138054 /nfs/dbraw/zinc/13/80/54/983138054.db2.gz HIHHQPNZWJBACE-UHFFFAOYSA-N -1 0 344.363 3.792 20 0 EHADRM CCCOc1ccc(COC(=O)c2c(C)coc2CC(=O)[O-])c(C)c1 ZINC001595961221 983157590 /nfs/dbraw/zinc/15/75/90/983157590.db2.gz VXVKEYSZTZZSMV-UHFFFAOYSA-N -1 0 346.379 3.669 20 0 EHADRM CCCSCC(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001595987155 983235977 /nfs/dbraw/zinc/23/59/77/983235977.db2.gz SOFKEHUMWCCXHZ-UHFFFAOYSA-N -1 0 347.889 3.989 20 0 EHADRM CCCSc1ccc(COC(=O)CCc2ocnc2C(=O)[O-])cc1 ZINC001595987927 983241828 /nfs/dbraw/zinc/24/18/28/983241828.db2.gz SSVXZYGMDDLMJV-UHFFFAOYSA-N -1 0 349.408 3.551 20 0 EHADRM CCCc1c(C(=O)NC[C@H]2CCCC[C@@H]2CC)[nH]c(C)c1C(=O)[O-] ZINC001596038061 983326294 /nfs/dbraw/zinc/32/62/94/983326294.db2.gz WRDQTJWLMOMURU-UONOGXRCSA-N -1 0 334.460 3.920 20 0 EHADRM CCCc1cccc(C(C)C)c1NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001596069115 983382804 /nfs/dbraw/zinc/38/28/04/983382804.db2.gz QFNSKOCDPMYUQZ-JKSUJKDBSA-N -1 0 347.455 3.971 20 0 EHADRM CCCc1nc(C)c(C(=O)N2CCCc3c(C(=O)[O-])cccc32)s1 ZINC001596077998 983395691 /nfs/dbraw/zinc/39/56/91/983395691.db2.gz VWAUTSCLMSMPKM-UHFFFAOYSA-N -1 0 344.436 3.695 20 0 EHADRM CCN(C(=O)/C=C/c1ccc(C(=O)[O-])o1)c1nc2ccccc2s1 ZINC001596136769 983484780 /nfs/dbraw/zinc/48/47/80/983484780.db2.gz FHSZNQDPCKOJNW-CSKARUKUSA-N -1 0 342.376 3.654 20 0 EHADRM CCN(C(=O)Cc1ccc2cccnc2c1)c1ccccc1C(=O)[O-] ZINC001596143936 983498777 /nfs/dbraw/zinc/49/87/77/983498777.db2.gz XZTFOZFWPACPAQ-UHFFFAOYSA-N -1 0 334.375 3.529 20 0 EHADRM CCN(C(=O)Cc1ccccc1SC)c1ccccc1C(=O)[O-] ZINC001596148076 983504012 /nfs/dbraw/zinc/50/40/12/983504012.db2.gz OVNSAGOYJIEVLB-UHFFFAOYSA-N -1 0 329.421 3.702 20 0 EHADRM CCN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[C@H](C)c1cc2ccccc2o1 ZINC001596149422 983508258 /nfs/dbraw/zinc/50/82/58/983508258.db2.gz VDXFGRBJGSRFKS-YUELXQCFSA-N -1 0 344.411 3.779 20 0 EHADRM CCN(C(=O)Nc1ccccc1C(=O)[O-])[C@H](C)Cc1ccsc1 ZINC001596158651 983521828 /nfs/dbraw/zinc/52/18/28/983521828.db2.gz QRHSWSWBRWWOPW-GFCCVEGCSA-N -1 0 332.425 3.931 20 0 EHADRM CCN(C(=O)c1ccc(-c2ccccc2OC)s1)C(C)(C)C(=O)[O-] ZINC001596165287 983529485 /nfs/dbraw/zinc/52/94/85/983529485.db2.gz PHDQAMPVWHXMRL-UHFFFAOYSA-N -1 0 347.436 3.749 20 0 EHADRM CCN(C(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(C)(C)C(=O)[O-] ZINC001596167129 983531194 /nfs/dbraw/zinc/53/11/94/983531194.db2.gz JAKFTHSNQURJMG-UHFFFAOYSA-N -1 0 337.725 3.684 20 0 EHADRM CCN(C[C@H]1CC(C(=O)[O-])=C(C)O1)c1cccc(C(F)(F)F)c1 ZINC001596292757 983713159 /nfs/dbraw/zinc/71/31/59/983713159.db2.gz QMRCQUWBUFMROO-CYBMUJFWSA-N -1 0 329.318 3.679 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)C1(c2ccc(C(C)C)cc2)CCCC1 ZINC001596304157 983731682 /nfs/dbraw/zinc/73/16/82/983731682.db2.gz RXGCOBVQMFLYBT-UHFFFAOYSA-N -1 0 331.456 3.945 20 0 EHADRM CCN(Cc1ccccc1F)C(=O)Nc1cc(C(=O)[O-])sc1C ZINC001596371468 983870522 /nfs/dbraw/zinc/87/05/22/983870522.db2.gz GLHZJXVMZDRVNW-UHFFFAOYSA-N -1 0 336.388 3.948 20 0 EHADRM Cc1cc(NC(=O)c2c([O-])cc(F)cc2F)ccc1N1CCCC1 ZINC000066044390 1015018178 /nfs/dbraw/zinc/01/81/78/1015018178.db2.gz QCLGMFLHRIBOIC-UHFFFAOYSA-N -1 0 332.350 3.831 20 0 EHADRM CCNc1ccc(Cl)cc1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC001596504382 984258908 /nfs/dbraw/zinc/25/89/08/984258908.db2.gz OGOICMHVCSALLE-UHFFFAOYSA-N -1 0 336.750 3.861 20 0 EHADRM CCNc1ncc(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)cc1Cl ZINC001596507929 984267597 /nfs/dbraw/zinc/26/75/97/984267597.db2.gz WSFLZEHVKARTCW-SNVBAGLBSA-N -1 0 347.802 3.607 20 0 EHADRM CCOC(=O)CCS[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001596613813 984576962 /nfs/dbraw/zinc/57/69/62/984576962.db2.gz LBBAIAXXSQPHIO-GFCCVEGCSA-N -1 0 337.224 3.806 20 0 EHADRM C=Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)cc1 ZINC001588920420 984577384 /nfs/dbraw/zinc/57/73/84/984577384.db2.gz YUKKWIQSHUTGLI-UHFFFAOYSA-N -1 0 336.391 3.880 20 0 EHADRM C/C(=C/C(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1)c1cccc(F)c1 ZINC001588938472 984621990 /nfs/dbraw/zinc/62/19/90/984621990.db2.gz BUMKMOOQEKUJFW-CPPNXCSESA-N -1 0 341.382 3.788 20 0 EHADRM C/C(=C/C(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1)c1cccs1 ZINC001588938611 984623159 /nfs/dbraw/zinc/62/31/59/984623159.db2.gz DFFQZTIPWXICFB-QFSNBGPKSA-N -1 0 329.421 3.710 20 0 EHADRM C/C(=C/C(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)[O-])c1cccs1 ZINC001588938657 984623620 /nfs/dbraw/zinc/62/36/20/984623620.db2.gz ILVCCMFAAPLKQE-SCOADAFUSA-N -1 0 343.448 3.520 20 0 EHADRM C/C(=C\C(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)[O-])c1cccs1 ZINC001588938654 984623652 /nfs/dbraw/zinc/62/36/52/984623652.db2.gz ILVCCMFAAPLKQE-HFQYIWAZSA-N -1 0 343.448 3.520 20 0 EHADRM C/C(=C\C(=O)NCc1cc(C(=O)[O-])c(C)o1)c1cccc(Cl)c1 ZINC001588942326 984635213 /nfs/dbraw/zinc/63/52/13/984635213.db2.gz HMFNXRALHKDSSS-UXBLZVDNSA-N -1 0 333.771 3.659 20 0 EHADRM C/C(=C/C(=O)NCc1ccccc1C(=O)[O-])c1cccc(Cl)c1 ZINC001588942605 984637135 /nfs/dbraw/zinc/63/71/35/984637135.db2.gz NSWRXKBGQRWHQC-XFXZXTDPSA-N -1 0 329.783 3.758 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)/C(=C/c1cccc(Cl)c1)c1cccs1 ZINC001599888087 984661179 /nfs/dbraw/zinc/66/11/79/984661179.db2.gz IAPGTORNPSOSSL-ZTMOJVSCSA-N -1 0 349.839 3.922 20 0 EHADRM C[C@H](C(=O)OCCOc1ccc(/C=C/C(=O)[O-])cc1)c1ccccc1 ZINC001599888622 984667370 /nfs/dbraw/zinc/66/73/70/984667370.db2.gz UDZYTNXZNFANKK-RZXPCSSPSA-N -1 0 340.375 3.510 20 0 EHADRM C[C@H](CC1CCCCC1)NC(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001599890816 984691975 /nfs/dbraw/zinc/69/19/75/984691975.db2.gz GWNPKTHJZKRUIN-CYBMUJFWSA-N -1 0 334.416 3.630 20 0 EHADRM C/C(=C\C1CCC(C)CC1)C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC001588956747 984708472 /nfs/dbraw/zinc/70/84/72/984708472.db2.gz ZRQYUNGQULIJJF-WDJZMPHUSA-N -1 0 329.440 3.744 20 0 EHADRM C[C@H](OC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1cccc(OC(F)F)c1 ZINC001599903711 984892413 /nfs/dbraw/zinc/89/24/13/984892413.db2.gz CNFBYTNNUOYGMF-DRZSPHRISA-N -1 0 342.338 3.783 20 0 EHADRM CCOC(=O)c1cc(NCc2cc(C(=O)[O-])c(C)o2)ccc1Cl ZINC001596709978 984921324 /nfs/dbraw/zinc/92/13/24/984921324.db2.gz MKKLIZQYMCQOCA-UHFFFAOYSA-N -1 0 337.759 3.728 20 0 EHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)N(CC(=O)[O-])c1ccccc1 ZINC001588997729 984932072 /nfs/dbraw/zinc/93/20/72/984932072.db2.gz BAOWRWDVJHLWCN-QBFSEMIESA-N -1 0 329.783 3.861 20 0 EHADRM C/C(=C/c1ccccn1)C(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-] ZINC001589006888 984971680 /nfs/dbraw/zinc/97/16/80/984971680.db2.gz XMSPBYXMHQFHOS-HJWRWDBZSA-N -1 0 334.734 3.614 20 0 EHADRM C/C(=C\c1ccco1)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001589011487 984990778 /nfs/dbraw/zinc/99/07/78/984990778.db2.gz ZZAITWZVRYEPGN-DBTPVHCXSA-N -1 0 327.380 3.651 20 0 EHADRM CC(=O)C(C)(C)CCC(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001589022715 985018219 /nfs/dbraw/zinc/01/82/19/985018219.db2.gz DWNAMORMXXZYPD-UHFFFAOYSA-N -1 0 335.400 3.506 20 0 EHADRM CC(=O)C(C)(C)CCC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001589023807 985026073 /nfs/dbraw/zinc/02/60/73/985026073.db2.gz WIHLAVZJFWSSFR-UHFFFAOYSA-N -1 0 327.380 3.872 20 0 EHADRM CCO[C@H](C)c1ncc(C(=O)Nc2cc(C)sc2C(=O)[O-])s1 ZINC001596776089 985211735 /nfs/dbraw/zinc/21/17/35/985211735.db2.gz GPGUAZMVMJFGPZ-MRVPVSSYSA-N -1 0 340.426 3.561 20 0 EHADRM CCO[C@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1)C(C)C ZINC001596781920 985236624 /nfs/dbraw/zinc/23/66/24/985236624.db2.gz KHIQWWBNPJBMPB-IEBWSBKVSA-N -1 0 343.423 3.533 20 0 EHADRM C[C@H]1Cc2ccccc2N(C(=O)[C@@H]2CCCc3ccccc32)[C@H]1C(=O)[O-] ZINC001599937003 985407534 /nfs/dbraw/zinc/40/75/34/985407534.db2.gz IGYIQZTZWDIGEW-BOUXLOLZSA-N -1 0 349.430 3.785 20 0 EHADRM C[C@H]1Cc2ccccc2N(C(=O)/C=C/C2CCCCC2)[C@H]1C(=O)[O-] ZINC001599937488 985413703 /nfs/dbraw/zinc/41/37/03/985413703.db2.gz RFCNVHJXNINGQU-GBGXESKGSA-N -1 0 327.424 3.802 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)C(C)(C)C1 ZINC001594477831 985500215 /nfs/dbraw/zinc/50/02/15/985500215.db2.gz KAWVFTASQJWQCY-QMMMGPOBSA-N -1 0 328.771 3.830 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)[C@H]1c1ccccc1 ZINC001594478427 985504993 /nfs/dbraw/zinc/50/49/93/985504993.db2.gz BJFUHVWKXAGHBX-MEDUHNTESA-N -1 0 328.343 3.749 20 0 EHADRM Cc1[nH]c(C(=O)CN2CCC(CCC(C)C)CC2)c(C)c1C(=O)[O-] ZINC001599944856 985508930 /nfs/dbraw/zinc/50/89/30/985508930.db2.gz QTJXINLCUQFVOB-UHFFFAOYSA-N -1 0 334.460 3.661 20 0 EHADRM CC(=O)Nc1cc(Cl)c(NC(=O)CCC2CCC2)cc1C(=O)[O-] ZINC001589172390 985530304 /nfs/dbraw/zinc/53/03/04/985530304.db2.gz KFXQRSGWVBWJOQ-UHFFFAOYSA-N -1 0 338.791 3.515 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)SCC[C@H]2CCCCO2)c(C)c1C(=O)[O-] ZINC001599947500 985553435 /nfs/dbraw/zinc/55/34/35/985553435.db2.gz FTVLUGLYVDBUJN-QWHCGFSZSA-N -1 0 339.457 3.593 20 0 EHADRM CCOC1CC2(C[C@@H]2C(=O)O[C@@H]2CCCc3cc(C(=O)[O-])ccc32)C1 ZINC001596851083 985577655 /nfs/dbraw/zinc/57/76/55/985577655.db2.gz ULWXHBQUMBDGCZ-SXOSEBPOSA-N -1 0 344.407 3.511 20 0 EHADRM Cc1[nH]c(C(=O)N(C)[C@@H](C)CSc2ccccc2)c(C)c1C(=O)[O-] ZINC001599949894 985589568 /nfs/dbraw/zinc/58/95/68/985589568.db2.gz ZXKRAOJWIRMOCE-NSHDSACASA-N -1 0 346.452 3.583 20 0 EHADRM Cc1[nH]c(C(=O)N[C@H](C)Cc2ccc(C(C)C)cc2)c(C)c1C(=O)[O-] ZINC001599951658 985618618 /nfs/dbraw/zinc/61/86/18/985618618.db2.gz WSNMWXCZFPNTSN-GFCCVEGCSA-N -1 0 342.439 3.814 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccccc2C(=O)[O-])CCc2ccc(Cl)cc21 ZINC001594494746 985630047 /nfs/dbraw/zinc/63/00/47/985630047.db2.gz WHBFGUMPFUEUHL-GFCCVEGCSA-N -1 0 343.810 3.840 20 0 EHADRM C[C@H]1CN(C(=O)c2ccsc2C(=O)[O-])CCc2ccc(Cl)cc21 ZINC001594496143 985640225 /nfs/dbraw/zinc/64/02/25/985640225.db2.gz JXVQFARUDXEDCV-JTQLQIEISA-N -1 0 349.839 3.902 20 0 EHADRM C[C@@H]1CN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C[C@H](C2CC2)O1 ZINC001594499861 985669181 /nfs/dbraw/zinc/66/91/81/985669181.db2.gz GAHOSEYDMPBSIP-ZWZTZDBGSA-N -1 0 344.238 3.618 20 0 EHADRM C[C@H]1CN([C@H](C(=O)[O-])c2c(F)cccc2Cl)Cc2ccccc2O1 ZINC001594501408 985687386 /nfs/dbraw/zinc/68/73/86/985687386.db2.gz NJARFALCYVUPFT-GTNSWQLSSA-N -1 0 349.789 3.888 20 0 EHADRM CC(=O)[C@@H]1C[C@H](C(=O)O[C@@H]2CCCc3cc(C(=O)[O-])ccc32)C1(C)C ZINC001589231124 985785083 /nfs/dbraw/zinc/78/50/83/985785083.db2.gz UJOAKMYJZXJFLZ-GVDBMIGSSA-N -1 0 344.407 3.557 20 0 EHADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1CCC(CC2CCCCC2)CC1 ZINC001599961502 985789855 /nfs/dbraw/zinc/78/98/55/985789855.db2.gz ZJNNXTVAQRPYHB-UHFFFAOYSA-N -1 0 346.471 3.886 20 0 EHADRM Cc1[nH]c2c(cccc2C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])c1C ZINC001599965040 985887127 /nfs/dbraw/zinc/88/71/27/985887127.db2.gz LFICNPPIELBGJM-HNNXBMFYSA-N -1 0 342.439 3.796 20 0 EHADRM Cc1c(NC(=O)Nc2ccc(C(=O)[O-])cc2)n[nH]c1-c1ccccc1 ZINC001599969889 985987259 /nfs/dbraw/zinc/98/72/59/985987259.db2.gz XGZJZQVDBCXILW-UHFFFAOYSA-N -1 0 336.351 3.727 20 0 EHADRM CCOCCN(Cc1nc(C(=O)[O-])cs1)c1ccc(Cl)cc1 ZINC001596929082 986008680 /nfs/dbraw/zinc/00/86/80/986008680.db2.gz MARLWXVHLFQRSM-UHFFFAOYSA-N -1 0 340.832 3.538 20 0 EHADRM CC(=O)c1cccc(NC(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC001589311091 986091419 /nfs/dbraw/zinc/09/14/19/986091419.db2.gz HWKWCROXUFBNFE-GFCCVEGCSA-N -1 0 340.379 3.796 20 0 EHADRM CC(=O)c1csc(C(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)c1 ZINC001589322808 986137713 /nfs/dbraw/zinc/13/77/13/986137713.db2.gz OESJRJSVSMVJGS-UHFFFAOYSA-N -1 0 332.377 3.532 20 0 EHADRM CCON(CC1CCCCC1)C(=O)c1[nH]c(CC)c(C(=O)[O-])c1C ZINC001596963079 986154829 /nfs/dbraw/zinc/15/48/29/986154829.db2.gz AXKRIOFUHCUIJF-UHFFFAOYSA-N -1 0 336.432 3.558 20 0 EHADRM CCOCc1ccc(NC(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC001596966829 986177213 /nfs/dbraw/zinc/17/72/13/986177213.db2.gz ZUGSTYXCBKWQGF-UHFFFAOYSA-N -1 0 342.395 3.884 20 0 EHADRM C[C@@H](C(=O)N1C[C@H](C(=O)[O-])Cc2ccccc21)c1cc2ccccc2o1 ZINC001589342383 986268206 /nfs/dbraw/zinc/26/82/06/986268206.db2.gz KYNUZOZMCXNJKH-CZUORRHYSA-N -1 0 349.386 3.826 20 0 EHADRM CCOc1cc(-c2nc(CCC(C)(C)C)no2)ccc1OCC(=O)[O-] ZINC001596991481 986270029 /nfs/dbraw/zinc/27/00/29/986270029.db2.gz LTSJIUQRHBLDGS-UHFFFAOYSA-N -1 0 348.399 3.577 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@H](CC)OC1CCCCC1 ZINC001597008867 986337934 /nfs/dbraw/zinc/33/79/34/986337934.db2.gz GJHPFPWOTACKBD-INIZCTEOSA-N -1 0 349.427 3.850 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1CCc2ccccc2C1 ZINC001597009688 986345547 /nfs/dbraw/zinc/34/55/47/986345547.db2.gz PJODSXJLZMMNMN-HNNXBMFYSA-N -1 0 339.391 3.527 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@@]1(C)CCc2ccccc21 ZINC001597009929 986346430 /nfs/dbraw/zinc/34/64/30/986346430.db2.gz SJJXHEVDRHQVFR-FQEVSTJZSA-N -1 0 339.391 3.626 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CC[C@H](CC(C)C)C1 ZINC001597015377 986365189 /nfs/dbraw/zinc/36/51/89/986365189.db2.gz OLTWPAKXSVKNPD-CYBMUJFWSA-N -1 0 334.416 3.683 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CCCCC[C@H]1CC ZINC001597017414 986393774 /nfs/dbraw/zinc/39/37/74/986393774.db2.gz ZARZBQXHJWSQFN-CQSZACIVSA-N -1 0 334.416 3.970 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1CCCc2occc21 ZINC001597020742 986404772 /nfs/dbraw/zinc/40/47/72/986404772.db2.gz GIDZKNXITHESQI-CYBMUJFWSA-N -1 0 344.367 3.576 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1cc(C)n([C@H](C)CC)n1 ZINC001597021835 986414426 /nfs/dbraw/zinc/41/44/26/986414426.db2.gz CCEXKTQXHZCXQI-LLVKDONJSA-N -1 0 345.399 3.512 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1CCCC2(CC2)C1 ZINC001597022453 986420718 /nfs/dbraw/zinc/42/07/18/986420718.db2.gz STWJIOSLKRBQBU-CYBMUJFWSA-N -1 0 332.400 3.628 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(Cl)cc1OC ZINC001597025718 986432249 /nfs/dbraw/zinc/43/22/49/986432249.db2.gz MFUMOWWPSXLVTB-UHFFFAOYSA-N -1 0 349.770 3.698 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1ccc2scnc2c1 ZINC001597025857 986433289 /nfs/dbraw/zinc/43/32/89/986433289.db2.gz PIIGWEXSDATFOQ-UHFFFAOYSA-N -1 0 342.376 3.646 20 0 EHADRM C[C@H](C(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F)[C@H](C)C(C)(C)C ZINC001589376434 986437153 /nfs/dbraw/zinc/43/71/53/986437153.db2.gz ZHBMSBGHTOXLDR-PKFCDNJMSA-N -1 0 327.371 3.525 20 0 EHADRM CCOc1cc(C)ccc1NC(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC001597030891 986445421 /nfs/dbraw/zinc/44/54/21/986445421.db2.gz FNPAWIGHISCONK-CYBMUJFWSA-N -1 0 348.424 3.793 20 0 EHADRM C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1)C(C)(F)F ZINC001589380922 986461054 /nfs/dbraw/zinc/46/10/54/986461054.db2.gz JOAARHGVUQKXJY-RISCZKNCSA-N -1 0 341.398 3.907 20 0 EHADRM CCOc1cc(C)ccc1NC(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001597033445 986462648 /nfs/dbraw/zinc/46/26/48/986462648.db2.gz WAZIBNAVFMJXLG-HNNXBMFYSA-N -1 0 348.443 3.796 20 0 EHADRM CCOc1cc(N[C@H](C(=O)[O-])c2ccc(Cl)cc2)ccc1OC ZINC001597043054 986498247 /nfs/dbraw/zinc/49/82/47/986498247.db2.gz KNRKMBKIQQOZJK-INIZCTEOSA-N -1 0 335.787 3.985 20 0 EHADRM CCOc1cc(NCc2[nH]cc(C(=O)[O-])c2C2CC2)ccc1OC ZINC001597043565 986501594 /nfs/dbraw/zinc/50/15/94/986501594.db2.gz ZXQCGZUZYKJGKI-UHFFFAOYSA-N -1 0 330.384 3.610 20 0 EHADRM C[C@H]1COc2ccccc2[C@@H]1OC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001594608300 986591626 /nfs/dbraw/zinc/59/16/26/986591626.db2.gz XABRAHACDLXVGT-ORAYPTAESA-N -1 0 340.375 3.630 20 0 EHADRM CCOc1ccc([C@H](Nc2nccc(C(=O)[O-])n2)c2ccccc2)cc1 ZINC001597074597 986600599 /nfs/dbraw/zinc/60/05/99/986600599.db2.gz QDPQOKAVDDPDBS-GOSISDBHSA-N -1 0 349.390 3.775 20 0 EHADRM C[C@@H]1Cc2cccc(F)c2N(C(=O)CCc2ccccc2C(=O)[O-])C1 ZINC001594619185 986647478 /nfs/dbraw/zinc/64/74/78/986647478.db2.gz AUWNWWHQPIKTNY-CYBMUJFWSA-N -1 0 341.382 3.682 20 0 EHADRM C[C@@H]1Cc2cccc(C(=O)Nc3cc(F)c(Cl)c(C(=O)[O-])c3)c2O1 ZINC001594620115 986655941 /nfs/dbraw/zinc/65/59/41/986655941.db2.gz LNXSUARPTSHDBJ-MRVPVSSYSA-N -1 0 349.745 3.753 20 0 EHADRM C[C@H]1N(Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CCOC1(C)C ZINC001594624687 986686937 /nfs/dbraw/zinc/68/69/37/986686937.db2.gz BTQGGVYVCOOXML-CYBMUJFWSA-N -1 0 329.396 3.644 20 0 EHADRM CCOc1ccc(CCNc2nc(Cl)c(C(=O)[O-])s2)cc1 ZINC001597095242 986687485 /nfs/dbraw/zinc/68/74/85/986687485.db2.gz UWOCAHWDTJKMMP-UHFFFAOYSA-N -1 0 326.805 3.548 20 0 EHADRM CCOc1ccc(CN(C(=O)c2cc(C)c(C(=O)[O-])o2)C(C)C)cc1 ZINC001597095259 986687802 /nfs/dbraw/zinc/68/78/02/986687802.db2.gz VRNJEELYCCMFKW-UHFFFAOYSA-N -1 0 345.395 3.736 20 0 EHADRM C[C@@H]1N(C(=O)c2ccc(C(=O)[O-])cc2F)c2ccccc2C1(C)C ZINC001594625816 986693039 /nfs/dbraw/zinc/69/30/39/986693039.db2.gz KLNPGQYZJAUMPW-NSHDSACASA-N -1 0 327.355 3.850 20 0 EHADRM C[C@@H](C(=O)Nc1cc(-c2ccncc2)sc1C(=O)[O-])C(F)(F)F ZINC001589430118 986714469 /nfs/dbraw/zinc/71/44/69/986714469.db2.gz READBERVWGVAMT-ZETCQYMHSA-N -1 0 344.314 3.645 20 0 EHADRM C[C@@H](C(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1c(F)cccc1F ZINC001589430374 986717204 /nfs/dbraw/zinc/71/72/04/986717204.db2.gz RVRIWHCUROHJQQ-SSDOTTSWSA-N -1 0 341.260 3.683 20 0 EHADRM CCOc1ccc(Cl)c(NC(=O)NC2(CC(=O)[O-])CCCC2)c1 ZINC001597105597 986739084 /nfs/dbraw/zinc/73/90/84/986739084.db2.gz GISLGXTYRCWGSX-UHFFFAOYSA-N -1 0 340.807 3.648 20 0 EHADRM C[C@@H](C(=O)Nc1cccc(SCCC(=O)[O-])c1)c1cccc(O)c1 ZINC001589445684 986815947 /nfs/dbraw/zinc/81/59/47/986815947.db2.gz WHQPYWPSZLXFFD-GFCCVEGCSA-N -1 0 345.420 3.701 20 0 EHADRM CCOc1ccc(NCc2ccc(C(=O)[O-])c(Cl)c2)cc1CO ZINC001597124271 986831140 /nfs/dbraw/zinc/83/11/40/986831140.db2.gz ZMZUBDJSIDAMBJ-UHFFFAOYSA-N -1 0 335.787 3.541 20 0 EHADRM C[C@@H]1OCC[C@@H]1SCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001594648358 986854105 /nfs/dbraw/zinc/85/41/05/986854105.db2.gz IIVJXNZEDAEUOK-HZMBPMFUSA-N -1 0 335.450 3.919 20 0 EHADRM CCOc1ccc(Oc2ncc(C(=O)[O-])cc2C(F)(F)F)cc1 ZINC001597133571 986861818 /nfs/dbraw/zinc/86/18/18/986861818.db2.gz AROBDIKHOHNDTP-UHFFFAOYSA-N -1 0 327.258 3.990 20 0 EHADRM CCOc1ccc(SCc2cn3cccc(C(=O)[O-])c3n2)cc1 ZINC001597139563 986879752 /nfs/dbraw/zinc/87/97/52/986879752.db2.gz ANLRGBZROLRQSX-UHFFFAOYSA-N -1 0 328.393 3.724 20 0 EHADRM CCOc1cccc(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)c1 ZINC001597145881 986908387 /nfs/dbraw/zinc/90/83/87/986908387.db2.gz NCCAWHTVFVHPFE-UHFFFAOYSA-N -1 0 336.347 3.584 20 0 EHADRM C[C@H]1SCCN(Cc2ncc(C(=O)[O-])s2)[C@H]1c1ccccc1 ZINC001594664323 986948848 /nfs/dbraw/zinc/94/88/48/986948848.db2.gz LNQVPKXPLJLHJA-IAQYHMDHSA-N -1 0 334.466 3.520 20 0 EHADRM C[C@@H]1SCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001594664802 986956276 /nfs/dbraw/zinc/95/62/76/986956276.db2.gz ZYINRUAZTONQIY-IINYFYTJSA-N -1 0 330.409 3.554 20 0 EHADRM C[C@H]1c2cc(Cl)c(Cl)cc2CCN1c1ccnc(C(=O)[O-])n1 ZINC001594665879 986960743 /nfs/dbraw/zinc/96/07/43/986960743.db2.gz LXUNITFNEMLFKU-QMMMGPOBSA-N -1 0 338.194 3.605 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)/C=C\c1ccsc1C(F)(F)F)C1CCC1 ZINC001589473119 986971305 /nfs/dbraw/zinc/97/13/05/986971305.db2.gz WPMJFAMNWRKIMH-SSJHQANKSA-N -1 0 347.358 3.634 20 0 EHADRM CC[C@H](C)Oc1ccccc1-c1ccc(C(=O)N[C@H](C)C(=O)[O-])s1 ZINC000579853299 1015268088 /nfs/dbraw/zinc/26/80/88/1015268088.db2.gz LSCWHMIDHSFGET-NWDGAFQWSA-N -1 0 347.436 3.795 20 0 EHADRM CC/C(=C\C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)c1ccc(C)cc1 ZINC001594690561 987080020 /nfs/dbraw/zinc/08/00/20/987080020.db2.gz BHCZGGIIJHDVKW-PGXKXYJSSA-N -1 0 327.424 3.502 20 0 EHADRM CCC(=CC(=O)N[C@H](C(=O)[O-])c1ccccc1OC(F)(F)F)CC ZINC001594690569 987081138 /nfs/dbraw/zinc/08/11/38/987081138.db2.gz BVIGVKPDPAIPBI-AWEZNQCLSA-N -1 0 345.317 3.574 20 0 EHADRM CC/C(=C\C(=O)NC1(CC(=O)[O-])CCCCC1)c1ccc(OC)cc1 ZINC001594690697 987081626 /nfs/dbraw/zinc/08/16/26/987081626.db2.gz HVCIXDKIPQBBSF-FYWRMAATSA-N -1 0 345.439 3.782 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)/C=C\SCc2ccco2)cc1 ZINC001589503270 987107045 /nfs/dbraw/zinc/10/70/45/987107045.db2.gz LQTLZLWOLANMGX-VPUINMBXSA-N -1 0 331.393 3.853 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NC2(C(F)F)CCCC2)cc1 ZINC001589510533 987136734 /nfs/dbraw/zinc/13/67/34/987136734.db2.gz VPAVOBPPTWHUFU-JTQLQIEISA-N -1 0 326.343 3.574 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)cc1 ZINC001589511338 987138746 /nfs/dbraw/zinc/13/87/46/987138746.db2.gz ANKZSCAZYHCRBS-ZTFRIQLXSA-N -1 0 342.370 3.691 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N[C@@H]2C[C@@]2(F)c2ccccc2)cc1 ZINC001589512392 987150192 /nfs/dbraw/zinc/15/01/92/987150192.db2.gz KOBINPBLBDSOGO-JOKNJTHLSA-N -1 0 342.370 3.634 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NCC(C)(C)[C@@H]2CCCCO2)cc1 ZINC001589512539 987150767 /nfs/dbraw/zinc/15/07/67/987150767.db2.gz LJAYOWWQNBQFHX-CJNGLKHVSA-N -1 0 348.443 3.592 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC[C@@H](O)Cc2cccc(Cl)c2)c1 ZINC001589531927 987208204 /nfs/dbraw/zinc/20/82/04/987208204.db2.gz LEUAUJDACWBLKB-PXAZEXFGSA-N -1 0 333.815 3.544 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cc(Cl)c(F)cc2N)c1 ZINC001589532246 987212338 /nfs/dbraw/zinc/21/23/38/987212338.db2.gz PFEILQAPNZWTTJ-QMMMGPOBSA-N -1 0 336.750 3.502 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cc(-c3cccs3)[nH]n2)c1 ZINC001589532820 987219212 /nfs/dbraw/zinc/21/92/12/987219212.db2.gz UJQXYDSMVOAFRN-SNVBAGLBSA-N -1 0 341.392 3.579 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)Nc2ccc(N(C)C)cc2)c1 ZINC001589534531 987230928 /nfs/dbraw/zinc/23/09/28/987230928.db2.gz YJBRDNHJCBUBNA-GFCCVEGCSA-N -1 0 327.384 3.585 20 0 EHADRM CC[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1)c1ccc(F)cc1 ZINC001594728287 987234214 /nfs/dbraw/zinc/23/42/14/987234214.db2.gz CXJHZIIULQFREZ-NVXWUHKLSA-N -1 0 347.361 3.709 20 0 EHADRM CCS[C@@H](C)c1noc(CNc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)n1 ZINC001597252214 987245981 /nfs/dbraw/zinc/24/59/81/987245981.db2.gz AGSMZFYNFKCROG-LEWSCRJBSA-N -1 0 347.440 3.684 20 0 EHADRM C[C@@H](C(=O)OC1CCC(CC(=O)[O-])CC1)c1cn(C)c2ccccc12 ZINC001589543344 987259352 /nfs/dbraw/zinc/25/93/52/987259352.db2.gz NGFFSMJUZZTLEN-WLYUNCDWSA-N -1 0 343.423 3.859 20 0 EHADRM CCSCc1ccc(NCc2snc(OC)c2C(=O)[O-])cc1 ZINC001597265423 987296735 /nfs/dbraw/zinc/29/67/35/987296735.db2.gz UWCIIGKGDZGRKE-UHFFFAOYSA-N -1 0 338.454 3.715 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)NCc1ccoc1C(=O)[O-] ZINC001597271059 987316156 /nfs/dbraw/zinc/31/61/56/987316156.db2.gz RODAOXNWKUVKDR-UHFFFAOYSA-N -1 0 339.800 3.673 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001597273006 987325498 /nfs/dbraw/zinc/32/54/98/987325498.db2.gz NVZVLTHYPQVLRD-MWLCHTKSSA-N -1 0 342.848 3.779 20 0 EHADRM CCSc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001597273087 987326179 /nfs/dbraw/zinc/32/61/79/987326179.db2.gz QQJRZYXAMCEEQE-UHFFFAOYSA-N -1 0 330.409 3.819 20 0 EHADRM CCSc1nnc(S[C@H](C(=O)[O-])c2ccccc2C)s1 ZINC001597279719 987344282 /nfs/dbraw/zinc/34/42/82/987344282.db2.gz JLOLXGTYANFGSH-JTQLQIEISA-N -1 0 326.468 3.877 20 0 EHADRM CC(C)(C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br)C1CC1 ZINC001589579693 987358549 /nfs/dbraw/zinc/35/85/49/987358549.db2.gz IASWTXCPMWRANB-UHFFFAOYSA-N -1 0 344.180 3.661 20 0 EHADRM CC(C)(C(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccc(F)cc1F ZINC001589580410 987360605 /nfs/dbraw/zinc/36/06/05/987360605.db2.gz ORTYIEHQNNHAOY-UHFFFAOYSA-N -1 0 337.297 3.718 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)NCCCCC1CC1)c1ccccc1 ZINC001589595202 987413336 /nfs/dbraw/zinc/41/33/36/987413336.db2.gz VEIVDGSPTLULAD-MRXNPFEDSA-N -1 0 332.444 3.718 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1cc[nH]c1C1CCC1)c1ccccc1 ZINC001589598061 987417806 /nfs/dbraw/zinc/41/78/06/987417806.db2.gz GBTHVKAYINDKDG-QGZVFWFLSA-N -1 0 340.423 3.864 20 0 EHADRM CC[C@H](NC(=O)C(C)(C)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC001597343317 987481263 /nfs/dbraw/zinc/48/12/63/987481263.db2.gz DOCVVYJFQUYTKR-KRWDZBQOSA-N -1 0 325.408 3.611 20 0 EHADRM CCc1[nH]c(C(=O)N(CC)[C@H](C)c2ccc(F)cc2)c(C)c1C(=O)[O-] ZINC001597357627 987508104 /nfs/dbraw/zinc/50/81/04/987508104.db2.gz FAKNBIHSTRPIJB-GFCCVEGCSA-N -1 0 346.402 3.946 20 0 EHADRM CCc1[nH]c(C(=O)N2CC[C@]2(C)C2CCCCC2)c(C)c1C(=O)[O-] ZINC001597361055 987516403 /nfs/dbraw/zinc/51/64/03/987516403.db2.gz LKCFRXZWLCLOGA-LJQANCHMSA-N -1 0 332.444 3.769 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N2CC[C@@H]2C2CCCC2)cc1 ZINC001589636206 987551703 /nfs/dbraw/zinc/55/17/03/987551703.db2.gz HGZHHOMVMRYFGA-MRXNPFEDSA-N -1 0 330.428 3.845 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NC[C@H]2CCC(F)(F)C2)cc1 ZINC001589638020 987558704 /nfs/dbraw/zinc/55/87/04/987558704.db2.gz UKQVLEUJSKUTOX-NSHDSACASA-N -1 0 340.370 3.606 20 0 EHADRM CCc1[nH]c(C(=O)Nc2ccc3sc(C)nc3c2)c(C)c1C(=O)[O-] ZINC001597374189 987561062 /nfs/dbraw/zinc/56/10/62/987561062.db2.gz HOMVJWOCBDGKOX-UHFFFAOYSA-N -1 0 343.408 3.754 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(NC(=O)C2CCC(C3CC3)CC2)n1 ZINC001589649129 987586360 /nfs/dbraw/zinc/58/63/60/987586360.db2.gz JIXZDNAIUIBBER-UHFFFAOYSA-N -1 0 336.457 3.660 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)[C@@H]2C[C@H]2c2ccsc2)c1 ZINC001589649835 987594456 /nfs/dbraw/zinc/59/44/56/987594456.db2.gz BMXOCEVNJBDMQE-LSDHHAIUSA-N -1 0 330.405 3.819 20 0 EHADRM CCc1[nH]c(C(=O)N[C@@H](CC)c2ccc(C)c(F)c2)c(C)c1C(=O)[O-] ZINC001597385790 987597940 /nfs/dbraw/zinc/59/79/40/987597940.db2.gz QYOXFWLBGJREQU-AWEZNQCLSA-N -1 0 346.402 3.912 20 0 EHADRM CCc1[nH]c(CNc2ccc(OC)c(OC(C)C)c2)cc1C(=O)[O-] ZINC001597398592 987652904 /nfs/dbraw/zinc/65/29/04/987652904.db2.gz OTEIGHYVBKPHCK-UHFFFAOYSA-N -1 0 332.400 3.683 20 0 EHADRM CCc1[nH]c(CNc2nc3ccccc3n2C(C)(C)C)cc1C(=O)[O-] ZINC001597398603 987653021 /nfs/dbraw/zinc/65/30/21/987653021.db2.gz PHEQCGGYJWMFIP-UHFFFAOYSA-N -1 0 340.427 3.992 20 0 EHADRM CCc1c2ccccc2oc1C(=O)N(C1CC1)C1(C(=O)[O-])CCC1 ZINC001597400508 987663700 /nfs/dbraw/zinc/66/37/00/987663700.db2.gz CSDQZMBXFVAEGC-UHFFFAOYSA-N -1 0 327.380 3.607 20 0 EHADRM CCc1c2ccccc2oc1C(=O)N1c2cccc(C)c2C[C@@H]1C(=O)[O-] ZINC001597405911 987677392 /nfs/dbraw/zinc/67/73/92/987677392.db2.gz HFXRZOJMAYTLQO-QGZVFWFLSA-N -1 0 349.386 3.960 20 0 EHADRM CCc1cc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2C)cc(Cl)n1 ZINC001597433465 987775903 /nfs/dbraw/zinc/77/59/03/987775903.db2.gz DIVWDYSNTVJLOW-UHFFFAOYSA-N -1 0 336.750 3.695 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)C1(Cc2ccc(Cl)cc2)CC1 ZINC001589701355 987796304 /nfs/dbraw/zinc/79/63/04/987796304.db2.gz YHEVZGLADUDZKD-AWEZNQCLSA-N -1 0 337.847 3.668 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)Nc1cccnc1-c1ccccc1 ZINC001589702837 987803177 /nfs/dbraw/zinc/80/31/77/987803177.db2.gz QKBJORZCIPEODI-OAHLLOKOSA-N -1 0 341.411 3.760 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)/C=C\c1cnc2ccccc2n1 ZINC001597450103 987837689 /nfs/dbraw/zinc/83/76/89/987837689.db2.gz RANQUFPQJFFMFZ-NTMALXAHSA-N -1 0 347.374 3.542 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)NC[C@@H](CC(=O)[O-])C1CC1)c1ccccc1 ZINC001589715368 987852874 /nfs/dbraw/zinc/85/28/74/987852874.db2.gz BEGKKTZBSGBBQM-WBVHZDCISA-N -1 0 332.444 3.574 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCC(C(F)(F)F)CC1 ZINC001597453091 987853249 /nfs/dbraw/zinc/85/32/49/987853249.db2.gz LBXPAGLRXCPCAZ-UHFFFAOYSA-N -1 0 344.333 3.753 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)Nc1cccc(C(=O)[O-])n1)c1ccc(F)cc1 ZINC001589716577 987860588 /nfs/dbraw/zinc/86/05/88/987860588.db2.gz QMOBQGVDVAPIAG-HNNXBMFYSA-N -1 0 345.374 3.828 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001597457368 987873501 /nfs/dbraw/zinc/87/35/01/987873501.db2.gz JSCNQIMRSCYHFG-FRRDWIJNSA-N -1 0 338.354 3.503 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NC[C@@H](C)c1ncc(C)s1 ZINC001597459218 987883444 /nfs/dbraw/zinc/88/34/44/987883444.db2.gz XSROLQKVLMWQKJ-SNVBAGLBSA-N -1 0 347.440 3.637 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1c[nH]c(-c2ccccc2)n1 ZINC001597463675 987892935 /nfs/dbraw/zinc/89/29/35/987892935.db2.gz AZLQZJNSZQPTRA-UHFFFAOYSA-N -1 0 335.363 3.590 20 0 EHADRM CS[C@H](C)CCC(=O)Nc1c2ccc(C)nc2sc1C(=O)[O-] ZINC001599784579 987900658 /nfs/dbraw/zinc/90/06/58/987900658.db2.gz VWMDOZZVYBJOFG-SECBINFHSA-N -1 0 338.454 3.773 20 0 EHADRM CC(C)(C)[C@H]1C[C@H](Nc2cc(C(=O)[O-])cc3cccnc32)CCO1 ZINC001589725787 987902277 /nfs/dbraw/zinc/90/22/77/987902277.db2.gz BGWDDCLKDQVUJE-GDBMZVCRSA-N -1 0 328.412 3.939 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cccc(OC(C)(C)C)n1 ZINC001597465305 987902463 /nfs/dbraw/zinc/90/24/63/987902463.db2.gz SHTHSFXNRYCQHQ-UHFFFAOYSA-N -1 0 342.395 3.772 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)Nc1cnn([C@@H](C)C2CC2)c1 ZINC001597465057 987902617 /nfs/dbraw/zinc/90/26/17/987902617.db2.gz PTIUZBXIFCIYIN-NSHDSACASA-N -1 0 342.399 3.759 20 0 EHADRM CC(C)(C)[C@@H]1C[C@H](OC(=O)C23CCC(C(=O)[O-])(CC2)CC3)CCO1 ZINC001589727176 987920631 /nfs/dbraw/zinc/92/06/31/987920631.db2.gz XHTDFGMSVIZLFT-CWSVYJBUSA-N -1 0 338.444 3.549 20 0 EHADRM CC(C)(C)C1CC(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)C1 ZINC001589727121 987921125 /nfs/dbraw/zinc/92/11/25/987921125.db2.gz XFHRUCXYKHBSID-QIMFLAQGSA-N -1 0 341.810 3.793 20 0 EHADRM CC(C)(C)[C@@H]1CCC[C@H](NS(=O)(=O)CCCCCC(=O)[O-])CC1 ZINC001589728493 987934214 /nfs/dbraw/zinc/93/42/14/987934214.db2.gz MROBAAMQKYASOL-CABCVRRESA-N -1 0 347.521 3.546 20 0 EHADRM CS[C@H]1CCCCN(C(=O)Nc2cc(C(=O)[O-])sc2C)C1 ZINC001599788779 987970845 /nfs/dbraw/zinc/97/08/45/987970845.db2.gz GLPCAFNLGAHZAD-JTQLQIEISA-N -1 0 328.459 3.504 20 0 EHADRM CC(C)(C)[C@@H]1CCc2sc(C(=O)NC3CC(CC(=O)[O-])C3)cc2C1 ZINC001589733870 987975162 /nfs/dbraw/zinc/97/51/62/987975162.db2.gz ANIFKJIELYPFRS-HRDQMINSSA-N -1 0 349.496 3.882 20 0 EHADRM CC(C)(C)CC(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001589741776 988015867 /nfs/dbraw/zinc/01/58/67/988015867.db2.gz HMBOLVNEKASZSG-UHFFFAOYSA-N -1 0 333.409 3.988 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)[C@H](c1ccncc1)C1CCCCC1)C(=O)[O-] ZINC001589743264 988024351 /nfs/dbraw/zinc/02/43/51/988024351.db2.gz IWJYILJQMONTLM-IRXDYDNUSA-N -1 0 346.471 3.751 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)c1ccc(-c2ccccc2F)o1)C(=O)[O-] ZINC001589751148 988050297 /nfs/dbraw/zinc/05/02/97/988050297.db2.gz KETYVEBQUQWUFP-CYBMUJFWSA-N -1 0 333.359 3.705 20 0 EHADRM CCc1ccc(C(C)(C)NC(=O)NCC2(CC(=O)[O-])CCCC2)cc1 ZINC001597508370 988087405 /nfs/dbraw/zinc/08/74/05/988087405.db2.gz OJXMRKIYAMNQLU-UHFFFAOYSA-N -1 0 346.471 3.818 20 0 EHADRM CCc1ccc([C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2F)cc1 ZINC001597511512 988090558 /nfs/dbraw/zinc/09/05/58/988090558.db2.gz AAWAGEREMMMGMQ-LBPRGKRZSA-N -1 0 329.371 3.506 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)cc1 ZINC001597512385 988098292 /nfs/dbraw/zinc/09/82/92/988098292.db2.gz XGXDAVMESBWJTK-LLVKDONJSA-N -1 0 346.452 3.810 20 0 EHADRM CC(C)(C)C[C@H]1CCCN1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001589764345 988100806 /nfs/dbraw/zinc/10/08/06/988100806.db2.gz HIYJJFWDMJDEEO-MRXNPFEDSA-N -1 0 332.444 3.538 20 0 EHADRM CCc1ccc([C@H](NC(=O)[C@@H](C)CC(=O)[O-])c2cccc(F)c2)cc1 ZINC001597514894 988125037 /nfs/dbraw/zinc/12/50/37/988125037.db2.gz XSXDZAUGRZYJDO-DJJJIMSYSA-N -1 0 343.398 3.705 20 0 EHADRM CCc1ccc([C@@H](NC(=O)NCc2cc(C(=O)[O-])co2)C(C)C)cc1 ZINC001597514929 988125109 /nfs/dbraw/zinc/12/51/09/988125109.db2.gz ZCFAHLGTMXJLSY-KRWDZBQOSA-N -1 0 344.411 3.737 20 0 EHADRM CC(C)(C)CN(Cc1ccccc1)C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001589780663 988153471 /nfs/dbraw/zinc/15/34/71/988153471.db2.gz HGPWTTWXWWBVIA-DLBZAZTESA-N -1 0 331.456 3.952 20 0 EHADRM CCc1ccc(F)cc1C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001597530451 988184050 /nfs/dbraw/zinc/18/40/50/988184050.db2.gz AKCDSHGNTAXBJR-QGZVFWFLSA-N -1 0 343.398 3.970 20 0 EHADRM CCc1ccc(F)cc1C(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC001597530834 988188921 /nfs/dbraw/zinc/18/89/21/988188921.db2.gz QSKPVPQCYFMHTG-UHFFFAOYSA-N -1 0 334.368 3.784 20 0 EHADRM CCc1ccc(OC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)cc1 ZINC001597556198 988287523 /nfs/dbraw/zinc/28/75/23/988287523.db2.gz IWQJPKVMTNZKNM-UHFFFAOYSA-N -1 0 328.364 3.548 20 0 EHADRM CCc1ccc(S(=O)(=O)Oc2cc(C(=O)[O-])ccc2C)cc1CC ZINC001597562610 988309721 /nfs/dbraw/zinc/30/97/21/988309721.db2.gz LOUNRNKTBNUPAB-UHFFFAOYSA-N -1 0 348.420 3.586 20 0 EHADRM CSc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(C)c2)cc1 ZINC001599809684 988312367 /nfs/dbraw/zinc/31/23/67/988312367.db2.gz RBAHDCXTFHKNRE-INIZCTEOSA-N -1 0 329.421 3.663 20 0 EHADRM CSc1cc(NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])ccn1 ZINC001599809938 988316567 /nfs/dbraw/zinc/31/65/67/988316567.db2.gz VEQRWXAGLMEJCE-JTQLQIEISA-N -1 0 348.449 3.621 20 0 EHADRM CSc1cc(O)ccc1NC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001599809981 988318236 /nfs/dbraw/zinc/31/82/36/988318236.db2.gz YDTZOFICRWVHJV-UHFFFAOYSA-N -1 0 336.344 3.595 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2CC3CCC2CC3)cc1 ZINC001599810477 988326453 /nfs/dbraw/zinc/32/64/53/988326453.db2.gz YSBVDUMNJFZWAX-YCUKKYJWSA-N -1 0 347.480 3.867 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)/C=C(/C)c2ccco2)cc1 ZINC001599810958 988333694 /nfs/dbraw/zinc/33/36/94/988333694.db2.gz KCPADOIYCZHHQF-WQTVUKCASA-N -1 0 345.420 3.737 20 0 EHADRM CSc1ccc(C)c(C(=O)N(Cc2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC001599812116 988355059 /nfs/dbraw/zinc/35/50/59/988355059.db2.gz OYJZQPIKDJXMQZ-AWEZNQCLSA-N -1 0 343.448 3.832 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)/C=C/c1cnc2ccccc2n1 ZINC001597573737 988358099 /nfs/dbraw/zinc/35/80/99/988358099.db2.gz WCUDSXUFVYLXPU-ZHACJKMWSA-N -1 0 347.374 3.542 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)C(F)(F)Cc1ccccc1 ZINC001597576990 988370535 /nfs/dbraw/zinc/37/05/35/988370535.db2.gz XXZZYEMCRIVULN-UHFFFAOYSA-N -1 0 333.334 3.764 20 0 EHADRM CSc1ccc(CCC(=O)Oc2ccc(CC(=O)[O-])cc2F)cc1 ZINC001599813386 988377201 /nfs/dbraw/zinc/37/72/01/988377201.db2.gz ZIJWLRVCJFGESR-UHFFFAOYSA-N -1 0 348.395 3.713 20 0 EHADRM CCc1cccc(C)c1NC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001597578975 988377145 /nfs/dbraw/zinc/37/71/45/988377145.db2.gz OLUQNCSFMVRONH-JTQLQIEISA-N -1 0 333.413 3.595 20 0 EHADRM CSc1ccc(/C=C\C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC001599813629 988382062 /nfs/dbraw/zinc/38/20/62/988382062.db2.gz YQAFUDQJTOCJOD-FWPCIQOSSA-N -1 0 345.445 3.698 20 0 EHADRM CSc1ccc(Cl)c(NC(=O)c2cc(C)c(C(=O)[O-])o2)c1 ZINC001599814368 988394612 /nfs/dbraw/zinc/39/46/12/988394612.db2.gz IGNHATCQEHAMEG-UHFFFAOYSA-N -1 0 325.773 3.914 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1ccc(-c2cnn(C)c2)cc1 ZINC001597591773 988415966 /nfs/dbraw/zinc/41/59/66/988415966.db2.gz IIRVXQJYYOXOCU-UHFFFAOYSA-N -1 0 349.390 3.600 20 0 EHADRM CSc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)cc1C(=O)[O-] ZINC001599816240 988429100 /nfs/dbraw/zinc/42/91/00/988429100.db2.gz RQKIFAALFBJMOX-KBPBESRZSA-N -1 0 345.395 3.988 20 0 EHADRM CCc1cccc(OCC(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])c1 ZINC001597597912 988448977 /nfs/dbraw/zinc/44/89/77/988448977.db2.gz LISDZEUPKHFTSZ-UHFFFAOYSA-N -1 0 347.798 3.927 20 0 EHADRM CSc1cccc(F)c1C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001599823404 988554051 /nfs/dbraw/zinc/55/40/51/988554051.db2.gz BFDCCCDTMWPMRL-UHFFFAOYSA-N -1 0 333.384 3.518 20 0 EHADRM CSc1cccc(CSCc2noc(CCCC(=O)[O-])n2)c1 ZINC001599823436 988554788 /nfs/dbraw/zinc/55/47/88/988554788.db2.gz CSZNRNNIZFGAEU-UHFFFAOYSA-N -1 0 338.454 3.632 20 0 EHADRM CSc1ccccc1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O ZINC001599823456 988554900 /nfs/dbraw/zinc/55/49/00/988554900.db2.gz PJLMEOZGXLEDJG-UHFFFAOYSA-N -1 0 337.784 3.718 20 0 EHADRM CSc1cccc(NC(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001599824595 988575229 /nfs/dbraw/zinc/57/52/29/988575229.db2.gz GSOWCALRCNFKIV-HNNXBMFYSA-N -1 0 348.399 3.538 20 0 EHADRM CCc1cnccc1[C@H](C)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001597637191 988622991 /nfs/dbraw/zinc/62/29/91/988622991.db2.gz YOTJDEDDVNTOSS-NSHDSACASA-N -1 0 345.374 3.672 20 0 EHADRM CCc1csc(Sc2ncc(C(=O)[O-])cc2C(F)(F)F)n1 ZINC001597641820 988641307 /nfs/dbraw/zinc/64/13/07/988641307.db2.gz LRYKBADUVREFMG-UHFFFAOYSA-N -1 0 334.344 3.969 20 0 EHADRM C[C@@H](C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)c1ccccc1 ZINC001599831141 988677581 /nfs/dbraw/zinc/67/75/81/988677581.db2.gz RLTSTIACXQFVGG-CQSZACIVSA-N -1 0 338.407 3.727 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)/C=C\c1ccc(Cl)s1 ZINC001599831875 988687410 /nfs/dbraw/zinc/68/74/10/988687410.db2.gz VRQSHUYAGMBAAY-CUZBXDDWSA-N -1 0 349.839 3.917 20 0 EHADRM C[C@@H](CC(=O)[O-])OC(=O)c1ccc(-c2cccc3cccnc32)cc1 ZINC001599834877 988726784 /nfs/dbraw/zinc/72/67/84/988726784.db2.gz JZPOOKGXXSSNRQ-ZDUSSCGKSA-N -1 0 335.359 3.922 20 0 EHADRM CCc1nc(NC(=O)Cc2ccc(C)c(Cl)c2)sc1C(=O)[O-] ZINC001597680726 988811417 /nfs/dbraw/zinc/81/14/17/988811417.db2.gz VQOPVLFSZXIUGA-UHFFFAOYSA-N -1 0 338.816 3.547 20 0 EHADRM CCc1nc(SCc2cc(C(=O)[O-])ccc2Cl)[nH]c(=O)c1C ZINC001597689002 988855719 /nfs/dbraw/zinc/85/57/19/988855719.db2.gz ARLHETPSYOBMPH-UHFFFAOYSA-N -1 0 338.816 3.697 20 0 EHADRM CCc1nc2ccccc2c(C(=O)Nc2cnc(C)c(C(=O)[O-])c2)c1C ZINC001597690683 988873923 /nfs/dbraw/zinc/87/39/23/988873923.db2.gz GFDWMIODOJKYJS-UHFFFAOYSA-N -1 0 349.390 3.760 20 0 EHADRM C[C@@H](OC(=O)CCc1ocnc1C(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001599845600 988925628 /nfs/dbraw/zinc/92/56/28/988925628.db2.gz JCENMNUKVPAZRO-GFCCVEGCSA-N -1 0 345.395 3.907 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cccc(C(F)F)c2Cl)C[C@H]1CC(=O)[O-] ZINC001599859410 989143530 /nfs/dbraw/zinc/14/35/30/989143530.db2.gz FZCOEGFDHCBWKK-RKDXNWHRSA-N -1 0 346.761 3.852 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(-c3cccs3)s2)C[C@H]1CC(=O)[O-] ZINC001599863066 989201339 /nfs/dbraw/zinc/20/13/39/989201339.db2.gz IPDWPVQHSOCSNR-GHMZBOCLSA-N -1 0 335.450 3.659 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1cc(OC)cc(OC)c1Cl ZINC001597767363 989218651 /nfs/dbraw/zinc/21/86/51/989218651.db2.gz KGAPFCSMDPAIPA-UHFFFAOYSA-N -1 0 339.775 3.823 20 0 EHADRM CCc1oc(CNc2ccc3c(cnn3C(F)F)c2)cc1C(=O)[O-] ZINC001597804473 989406296 /nfs/dbraw/zinc/40/62/96/989406296.db2.gz CQOXWYSKRTWDIE-UHFFFAOYSA-N -1 0 335.310 3.897 20 0 EHADRM CCc1oc(CNc2cccc(CCCOC(C)=O)c2)cc1C(=O)[O-] ZINC001597805166 989410829 /nfs/dbraw/zinc/41/08/29/989410829.db2.gz VOWXAKYMQDYOQO-UHFFFAOYSA-N -1 0 345.395 3.648 20 0 EHADRM CCc1oc(CNc2cn(-c3ccccc3)nc2C)cc1C(=O)[O-] ZINC001597805131 989410851 /nfs/dbraw/zinc/41/08/51/989410851.db2.gz SGAADJYDHIBPAA-UHFFFAOYSA-N -1 0 325.368 3.646 20 0 EHADRM CCc1oc2ccccc2c1CNc1nnc(CCCC(=O)[O-])s1 ZINC001597808248 989424715 /nfs/dbraw/zinc/42/47/15/989424715.db2.gz VNTPIQDYNOIZJV-UHFFFAOYSA-N -1 0 345.424 3.866 20 0 EHADRM CCc1sc(C(=O)Nc2cc(CCC(=O)[O-])ccc2O)cc1C ZINC001597818156 989451619 /nfs/dbraw/zinc/45/16/19/989451619.db2.gz MFEKDFQMNGYBQC-UHFFFAOYSA-N -1 0 333.409 3.594 20 0 EHADRM CC(C)(C)OC(=O)c1cccc(NC(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001590368237 989844720 /nfs/dbraw/zinc/84/47/20/989844720.db2.gz ATTLZSSQWJEMHE-UHFFFAOYSA-N -1 0 341.363 3.592 20 0 EHADRM CC(C)(C)OC1CC(CC(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)C1 ZINC001590374351 989865573 /nfs/dbraw/zinc/86/55/73/989865573.db2.gz FTPZCTVKWZZXGF-UHFFFAOYSA-N -1 0 348.439 3.938 20 0 EHADRM CC(C)(C)Oc1cc(F)ccc1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001590408873 989943344 /nfs/dbraw/zinc/94/33/44/989943344.db2.gz RXNQCZUDQBFUMK-HAQNSBGRSA-N -1 0 337.391 3.833 20 0 EHADRM CC(C)(C)Oc1cccc(NC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)c1 ZINC001590420246 989964134 /nfs/dbraw/zinc/96/41/34/989964134.db2.gz QEGVSQIXIFSGHP-CQSZACIVSA-N -1 0 336.432 3.875 20 0 EHADRM CC[C@@H](NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)c1ccc(C)cc1 ZINC000326867137 1015523836 /nfs/dbraw/zinc/52/38/36/1015523836.db2.gz XKIIEHYZKMZOAH-WIYYLYMNSA-N -1 0 339.435 3.995 20 0 EHADRM CC(C)(C)Sc1ccc(-c2noc([C@H]3CC[C@@H](C(=O)[O-])O3)n2)cc1 ZINC001590434954 989993142 /nfs/dbraw/zinc/99/31/42/989993142.db2.gz PXFDFZAKNFZXPL-OLZOCXBDSA-N -1 0 348.424 3.932 20 0 EHADRM CC(C)(C)Sc1ccc(NC(=O)c2cc(C(=O)[O-])on2)cc1F ZINC001590434980 989994814 /nfs/dbraw/zinc/99/48/14/989994814.db2.gz QGTCAMVNKISEGB-UHFFFAOYSA-N -1 0 338.360 3.655 20 0 EHADRM CC(C)(C)c1cc2n(n1)CCN(Cc1cc(C(=O)[O-])ccc1Cl)C2 ZINC001590471896 990041896 /nfs/dbraw/zinc/04/18/96/990041896.db2.gz CCGQGSFJUVYQIL-UHFFFAOYSA-N -1 0 347.846 3.548 20 0 EHADRM CN(C(=O)C(c1ccccc1)c1ccccc1)C(C)(C)CC(=O)[O-] ZINC001597991424 990094113 /nfs/dbraw/zinc/09/41/13/990094113.db2.gz LSTUSZHYQDSASQ-UHFFFAOYSA-N -1 0 325.408 3.530 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCN(C(=O)c1ccc(C(=O)[O-])s1)C2 ZINC001590500045 990113835 /nfs/dbraw/zinc/11/38/35/990113835.db2.gz AKTYIDMMBRKTGR-UHFFFAOYSA-N -1 0 343.448 3.942 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCN2C(=O)c1ccsc1C(=O)[O-] ZINC001590500699 990115596 /nfs/dbraw/zinc/11/55/96/990115596.db2.gz KPEZCRBIADWAOF-UHFFFAOYSA-N -1 0 329.421 3.947 20 0 EHADRM CC(C)(C)c1csc(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])n1 ZINC001590526834 990138085 /nfs/dbraw/zinc/13/80/85/990138085.db2.gz KGCWHDKPTNKRRI-LBPRGKRZSA-N -1 0 338.473 3.594 20 0 EHADRM CN(C(=O)Nc1ccc(C(=O)[O-])nn1)c1ccc(-c2ccccc2)cc1 ZINC001598057001 990322028 /nfs/dbraw/zinc/32/20/28/990322028.db2.gz KGWUOFQHYQSEQO-UHFFFAOYSA-N -1 0 348.362 3.510 20 0 EHADRM CN(C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)C(C1CC1)C1CC1 ZINC001598060813 990331554 /nfs/dbraw/zinc/33/15/54/990331554.db2.gz WTJSXBWZPCXOAZ-JKSUJKDBSA-N -1 0 328.412 3.527 20 0 EHADRM CN(C(=O)Nc1cscc1Cl)c1ccc(OCC(=O)[O-])cc1 ZINC001598063881 990344964 /nfs/dbraw/zinc/34/49/64/990344964.db2.gz QFNOEDQYLODAOM-UHFFFAOYSA-N -1 0 340.788 3.533 20 0 EHADRM C[C@H]1CC[C@H](C(=O)N(C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)CC1 ZINC001598073015 990374403 /nfs/dbraw/zinc/37/44/03/990374403.db2.gz UTFUPIOYNWONGZ-IQMDTDKHSA-N -1 0 343.345 3.514 20 0 EHADRM CN(C(=O)c1ccc2c(c1)oc1ccccc12)C(C)(C)CC(=O)[O-] ZINC001598088315 990425339 /nfs/dbraw/zinc/42/53/39/990425339.db2.gz MJEDJVCQOJWEKS-UHFFFAOYSA-N -1 0 325.364 3.911 20 0 EHADRM CN(C(=O)c1ccccc1)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598093689 990442260 /nfs/dbraw/zinc/44/22/60/990442260.db2.gz QNLXPRZOQVTXKI-CQSZACIVSA-N -1 0 338.190 3.891 20 0 EHADRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)CC1CCC(C)(C)CC1 ZINC000154561248 1015568422 /nfs/dbraw/zinc/56/84/22/1015568422.db2.gz KGWHUMQZFWCWSS-UHFFFAOYSA-N -1 0 347.484 3.550 20 0 EHADRM CC(C)(CNC(=O)Nc1cccc(CCC(F)(F)F)c1)CC(=O)[O-] ZINC001590738433 990533243 /nfs/dbraw/zinc/53/32/43/990533243.db2.gz PQGMUPVKBAGBSR-UHFFFAOYSA-N -1 0 346.349 3.804 20 0 EHADRM CC(C)(CNC(=O)c1cc(F)cc(C(=O)[O-])c1)c1ccccc1Cl ZINC001590747311 990545723 /nfs/dbraw/zinc/54/57/23/990545723.db2.gz SPUZOLLHOCAPCF-UHFFFAOYSA-N -1 0 349.789 3.885 20 0 EHADRM CC(C)(COCc1ccccc1)C(=O)OCc1cccc(C(=O)[O-])c1 ZINC001590787146 990602939 /nfs/dbraw/zinc/60/29/39/990602939.db2.gz CYWCLSNIVFHFAM-UHFFFAOYSA-N -1 0 342.391 3.671 20 0 EHADRM CC(C)(Cc1ccc(O)cc1)C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001590821822 990659659 /nfs/dbraw/zinc/65/96/59/990659659.db2.gz DALYUMCZUVHZRX-UHFFFAOYSA-N -1 0 347.455 3.502 20 0 EHADRM CC(C)(NCc1ccc(-c2ccccc2)o1)c1nocc1C(=O)[O-] ZINC001590870364 990771480 /nfs/dbraw/zinc/77/14/80/990771480.db2.gz CPYUXTQJODRSNP-UHFFFAOYSA-N -1 0 326.352 3.658 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)N[C@H](CC(=O)[O-])c2cccc(C)c2)C1(C)C ZINC001590915220 990902054 /nfs/dbraw/zinc/90/20/54/990902054.db2.gz QPZXHYKGIKZKCW-NUJGCVRESA-N -1 0 329.440 3.865 20 0 EHADRM CC(C)=CCCn1c(CC(C)(C)C)nnc1N1CCC(C(=O)[O-])CC1 ZINC001590921130 990909154 /nfs/dbraw/zinc/90/91/54/990909154.db2.gz KZLANCMHIKGMGO-UHFFFAOYSA-N -1 0 348.491 3.524 20 0 EHADRM CC(C)[C@H](C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1)c1cccnc1 ZINC001590956363 991026303 /nfs/dbraw/zinc/02/63/03/991026303.db2.gz CZKMSAWBNSUOQR-KRWDZBQOSA-N -1 0 337.379 3.639 20 0 EHADRM COc1cccc2c(C(=O)Nc3ccc(C)c(C(=O)[O-])c3)coc21 ZINC001599689505 991044373 /nfs/dbraw/zinc/04/43/73/991044373.db2.gz OBICLIJUZJDUTF-UHFFFAOYSA-N -1 0 325.320 3.700 20 0 EHADRM CC(C)[C@H](C)N(C)C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001590974521 991111805 /nfs/dbraw/zinc/11/18/05/991111805.db2.gz QINCSSFBICEUOE-AWEZNQCLSA-N -1 0 347.459 3.883 20 0 EHADRM CC(C)[C@@H](CC(=O)N(C1CC1)C1(C(=O)[O-])CCC1)c1ccccc1 ZINC001590975673 991118720 /nfs/dbraw/zinc/11/87/20/991118720.db2.gz FFSGKELHKJKQEI-QGZVFWFLSA-N -1 0 329.440 3.815 20 0 EHADRM COc1ccccc1[C@@H](C)SCSc1nccc(C(=O)[O-])n1 ZINC001599697093 991164671 /nfs/dbraw/zinc/16/46/71/991164671.db2.gz BWIMQBGSIKPJBN-SNVBAGLBSA-N -1 0 336.438 3.727 20 0 EHADRM COc1ccccc1C(C)(C)NC(=O)Nc1ccc(C(=O)[O-])s1 ZINC001599697318 991167565 /nfs/dbraw/zinc/16/75/65/991167565.db2.gz KLLZBHJSDFUJOT-UHFFFAOYSA-N -1 0 334.397 3.512 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)[C@H](F)CC1CCCCC1 ZINC001598292458 991204872 /nfs/dbraw/zinc/20/48/72/991204872.db2.gz HWSIPFLJUAGGFF-CQSZACIVSA-N -1 0 336.407 3.698 20 0 EHADRM CC(C)[C@H](NC(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)[O-] ZINC001590998010 991250548 /nfs/dbraw/zinc/25/05/48/991250548.db2.gz XVNUUTNLSRQJFF-IRXDYDNUSA-N -1 0 345.826 3.697 20 0 EHADRM CN(C)c1ccc(OC(=O)[C@H]2CC[C@H](C3CCC3)CC2)cc1C(=O)[O-] ZINC001598328777 991356453 /nfs/dbraw/zinc/35/64/53/991356453.db2.gz BCYWTHZOECZZRN-SHTZXODSSA-N -1 0 345.439 3.963 20 0 EHADRM CN(C)c1ccc(OC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1C(=O)[O-] ZINC001598329467 991362243 /nfs/dbraw/zinc/36/22/43/991362243.db2.gz RRHKDOZTSKDDHQ-RBSFLKMASA-N -1 0 345.439 3.963 20 0 EHADRM CC(C)[C@@H](OC(=O)c1cnc(-c2ccccc2Cl)s1)C(=O)[O-] ZINC001591045978 991430777 /nfs/dbraw/zinc/43/07/77/991430777.db2.gz XACFZIOPEOQTOQ-GFCCVEGCSA-N -1 0 339.800 3.730 20 0 EHADRM CC(C)[C@H](OC(=O)c1cc(C(=O)[O-])ccn1)c1ccc(F)c(F)c1 ZINC001591046944 991438134 /nfs/dbraw/zinc/43/81/34/991438134.db2.gz HXVNQWWWFRLIHD-HNNXBMFYSA-N -1 0 335.306 3.612 20 0 EHADRM COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1scc(C(=O)[O-])c1C ZINC001599718993 991504722 /nfs/dbraw/zinc/50/47/22/991504722.db2.gz PBRIASFXXFOHCH-NWDGAFQWSA-N -1 0 331.393 3.506 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2cccc(C(=O)[O-])c2Cl)CCO1 ZINC001591073362 991541339 /nfs/dbraw/zinc/54/13/39/991541339.db2.gz WURFPTIHSLKAIU-FZMZJTMJSA-N -1 0 339.819 3.818 20 0 EHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC001591082675 991600706 /nfs/dbraw/zinc/60/07/06/991600706.db2.gz WDWDEZHVQSEQIM-WBVHZDCISA-N -1 0 332.444 3.789 20 0 EHADRM CC(C)[C@@H]1CCCN(C(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)CC1 ZINC001591086733 991603454 /nfs/dbraw/zinc/60/34/54/991603454.db2.gz DFGNBBNWJNFBMO-SYNHAJSKSA-N -1 0 329.440 3.530 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)Nc2cc(C(=O)[O-])n(C)c2)c2ccccc21 ZINC001591093454 991658631 /nfs/dbraw/zinc/65/86/31/991658631.db2.gz VHEIYLJCFSFNLL-AWEZNQCLSA-N -1 0 327.384 3.515 20 0 EHADRM CC(C)[C@H]1N(C(=O)NCCCCCCCC(=O)[O-])CC12CC=CC2 ZINC001591100271 991721890 /nfs/dbraw/zinc/72/18/90/991721890.db2.gz XCLBGTDIGDHFOJ-QGZVFWFLSA-N -1 0 336.476 3.798 20 0 EHADRM CC(C)[C@H]1c2ccccc2CCN1C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001591105438 991733253 /nfs/dbraw/zinc/73/32/53/991733253.db2.gz TVMQKTAHIFAQAT-KRWDZBQOSA-N -1 0 339.395 3.567 20 0 EHADRM CC(C)C[C@H](C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C)c1ccc(Cl)cc1 ZINC001591117813 991777942 /nfs/dbraw/zinc/77/79/42/991777942.db2.gz GWOCTTKZTVWQNZ-MAZHCROVSA-N -1 0 337.847 3.791 20 0 EHADRM COc1nccc2cc(NCc3ccc(C(=O)[O-])c(F)c3)ccc21 ZINC001599736796 991786642 /nfs/dbraw/zinc/78/66/42/991786642.db2.gz MGLXWVNAGZITTJ-UHFFFAOYSA-N -1 0 326.327 3.693 20 0 EHADRM CC(C)C[C@H](C(=O)Nc1cccc(C(=O)[O-])c1N)c1ccccc1 ZINC001591119947 991789647 /nfs/dbraw/zinc/78/96/47/991789647.db2.gz JIKZNHQNATXKTF-HNNXBMFYSA-N -1 0 326.396 3.735 20 0 EHADRM CC(C)C[C@H](C(=O)Nc1ccc(C(=O)[O-])nn1)c1ccc(Cl)cc1 ZINC001591121686 991797206 /nfs/dbraw/zinc/79/72/06/991797206.db2.gz ZIVFEIALCADVEO-ZDUSSCGKSA-N -1 0 347.802 3.597 20 0 EHADRM CC(C)C[C@H](C)CC(=O)N1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001591132655 991830746 /nfs/dbraw/zinc/83/07/46/991830746.db2.gz CGANSRBKBNNSSC-STQMWFEESA-N -1 0 338.473 3.620 20 0 EHADRM CC(C)C[C@@H](C)CC(=O)N1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001591132649 991830947 /nfs/dbraw/zinc/83/09/47/991830947.db2.gz CGANSRBKBNNSSC-CHWSQXEVSA-N -1 0 338.473 3.620 20 0 EHADRM CC(C)C[C@H](C)N(C)C(=O)CSCc1csc(C(=O)[O-])c1 ZINC001591138509 991859189 /nfs/dbraw/zinc/85/91/89/991859189.db2.gz ZNCBQABMZBIOIS-NSHDSACASA-N -1 0 329.487 3.573 20 0 EHADRM CC(C)C[C@@H](C)OCCC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001591138628 991859236 /nfs/dbraw/zinc/85/92/36/991859236.db2.gz PHBNUXYWGYFNTB-SNVBAGLBSA-N -1 0 345.798 3.957 20 0 EHADRM CC(C)C[C@@H](CNC(=O)C(C)(C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001591144015 991875025 /nfs/dbraw/zinc/87/50/25/991875025.db2.gz HMUVKCXSRGEAFB-AWEZNQCLSA-N -1 0 339.863 3.772 20 0 EHADRM COc1sc(/C=C(\C(=O)[O-])c2ccncc2)cc1Br ZINC001599743755 991899799 /nfs/dbraw/zinc/89/97/99/991899799.db2.gz VKTGJPODXQOZRC-POHAHGRESA-N -1 0 340.198 3.539 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1ccc(N2CCCCCC2)cc1)C(=O)[O-] ZINC001591156211 991901987 /nfs/dbraw/zinc/90/19/87/991901987.db2.gz OPUBJVWPIIWXTC-QGZVFWFLSA-N -1 0 346.471 3.544 20 0 EHADRM CC(C)C[C@H](Sc1nnc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC001591191339 992001988 /nfs/dbraw/zinc/00/19/88/992001988.db2.gz WJCMPRHAHOLHDW-NSHDSACASA-N -1 0 326.805 3.981 20 0 EHADRM CC(C)CC1(C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)CCCC1 ZINC001591191631 992004280 /nfs/dbraw/zinc/00/42/80/992004280.db2.gz DWXQCFJPBTXXOY-INIZCTEOSA-N -1 0 335.419 3.717 20 0 EHADRM CC(C)CC[C@H]1CCC[C@@H]1Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001591227384 992098698 /nfs/dbraw/zinc/09/86/98/992098698.db2.gz FGTAODQSAJXQGB-PBHICJAKSA-N -1 0 332.444 3.518 20 0 EHADRM CC(C)CCC[C@@H](C)NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC001591229440 992112077 /nfs/dbraw/zinc/11/20/77/992112077.db2.gz QWMMHLOUTRHQFQ-LLVKDONJSA-N -1 0 347.864 3.531 20 0 EHADRM CC(C)CCCCNC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001591236584 992118788 /nfs/dbraw/zinc/11/87/88/992118788.db2.gz LTXPSURJJRUHBD-INIZCTEOSA-N -1 0 334.460 3.964 20 0 EHADRM CC(C)CCO[C@H](C)C(=O)N1CCCCc2cc(C(=O)[O-])ccc21 ZINC001591252414 992152982 /nfs/dbraw/zinc/15/29/82/992152982.db2.gz ZCZPAITZDQEVAR-CQSZACIVSA-N -1 0 333.428 3.505 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1 ZINC001591261091 992171769 /nfs/dbraw/zinc/17/17/69/992171769.db2.gz VILCYLLMORKCHL-UHFFFAOYSA-N -1 0 345.399 3.792 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CC(C)(C)c1ccccc1 ZINC001591309175 992264577 /nfs/dbraw/zinc/26/45/77/992264577.db2.gz OWSOVYDLHQEFCG-UHFFFAOYSA-N -1 0 333.472 3.950 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC001591310069 992270254 /nfs/dbraw/zinc/27/02/54/992270254.db2.gz QSBRPPQBNBNRPH-CVEARBPZSA-N -1 0 335.419 3.525 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1nc(C(C)(C)C)cs1 ZINC001591313684 992278179 /nfs/dbraw/zinc/27/81/79/992278179.db2.gz GDWGDEKRJWDNTI-UHFFFAOYSA-N -1 0 340.489 3.650 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)C(c1ccccc1)c1ccccc1 ZINC001591322241 992292917 /nfs/dbraw/zinc/29/29/17/992292917.db2.gz UHSYKYBFTQEKQR-UHFFFAOYSA-N -1 0 339.435 3.778 20 0 EHADRM CS[C@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1C)c1ccccc1 ZINC001599781261 992367319 /nfs/dbraw/zinc/36/73/19/992367319.db2.gz OIJSXBBVTPKKEO-HNNXBMFYSA-N -1 0 333.384 3.875 20 0 EHADRM CS[C@H](C)CCC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001599782763 992386467 /nfs/dbraw/zinc/38/64/67/992386467.db2.gz KABJDFBXFQTTSF-LLVKDONJSA-N -1 0 327.471 3.724 20 0 EHADRM CC(C)COC(=O)Nc1cccc(NCc2cccc(C(=O)[O-])n2)c1 ZINC001591384541 992432837 /nfs/dbraw/zinc/43/28/37/992432837.db2.gz HQTIUOCOXRORQA-UHFFFAOYSA-N -1 0 343.383 3.596 20 0 EHADRM CC(C)CO[C@@H]1CCN([C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1 ZINC001591391244 992451033 /nfs/dbraw/zinc/45/10/33/992451033.db2.gz ICMRAVKQJVJLOQ-HUUCEWRRSA-N -1 0 345.361 3.578 20 0 EHADRM CC(C)CON(Cc1nc(C(=O)[O-])cs1)CC1CCCCC1 ZINC001591396923 992463121 /nfs/dbraw/zinc/46/31/21/992463121.db2.gz BQUCTLOMQRMNNU-UHFFFAOYSA-N -1 0 326.462 3.811 20 0 EHADRM CC(C)CSCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001591416397 992497613 /nfs/dbraw/zinc/49/76/13/992497613.db2.gz YUMPKVBZINPPKM-JTQLQIEISA-N -1 0 341.498 3.899 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1F)Cc1ccccc1N1CCCC1 ZINC001598513127 992585115 /nfs/dbraw/zinc/58/51/15/992585115.db2.gz AWGMVRFJAHDWGW-UHFFFAOYSA-N -1 0 342.414 3.756 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)OCc2nc(C(=O)[O-])cs2)c1 ZINC001591488279 992615900 /nfs/dbraw/zinc/61/59/00/992615900.db2.gz FJSROTVHKYVRCJ-GFCCVEGCSA-N -1 0 347.436 3.887 20 0 EHADRM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001598516523 992622915 /nfs/dbraw/zinc/62/29/15/992622915.db2.gz KMEMYZJQXJSROD-ZRDIBKRKSA-N -1 0 341.407 3.947 20 0 EHADRM CC(C)Cc1noc(CSc2cc(Cl)ccc2C(=O)[O-])n1 ZINC001591498215 992637978 /nfs/dbraw/zinc/63/79/78/992637978.db2.gz YCNRANBWBZPVPQ-UHFFFAOYSA-N -1 0 326.805 3.912 20 0 EHADRM CC(C)Cn1ccc2c1cccc2C(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC001591521255 992690153 /nfs/dbraw/zinc/69/01/53/992690153.db2.gz FGXGFXYYSFUVSE-HNNXBMFYSA-N -1 0 342.439 3.528 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)NCC(C)(C)CC(=O)[O-])ccc21 ZINC001591521622 992691523 /nfs/dbraw/zinc/69/15/23/992691523.db2.gz MUDKUKNDHBSBSS-UHFFFAOYSA-N -1 0 345.443 3.920 20 0 EHADRM CC(C)Cn1nccc1C(=O)Oc1cc2ccccc2cc1C(=O)[O-] ZINC001591533422 992710738 /nfs/dbraw/zinc/71/07/38/992710738.db2.gz RNUGOYRTAUPSJP-UHFFFAOYSA-N -1 0 338.363 3.610 20 0 EHADRM CN(Cc1cccc(F)c1)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001598526107 992722830 /nfs/dbraw/zinc/72/28/30/992722830.db2.gz KUKFVUIJJUKMLM-DLBZAZTESA-N -1 0 342.370 3.678 20 0 EHADRM CC(C)NC(=O)c1ccc(Cl)c(NCc2cccc(C(=O)[O-])c2)c1 ZINC001591657304 992989385 /nfs/dbraw/zinc/98/93/85/992989385.db2.gz NJAXIOXSLYEFCX-UHFFFAOYSA-N -1 0 346.814 3.789 20 0 EHADRM CC(=O)c1cccc(C(=O)N=c2cc(-c3ccc(Cl)s3)[nH][nH]2)c1 ZINC000339850354 1015750797 /nfs/dbraw/zinc/75/07/97/1015750797.db2.gz QRMVLAIDLJWHHJ-UHFFFAOYSA-N -1 0 345.811 3.668 20 0 EHADRM COc1ccc(F)cc1CNc1ncc(C(=O)[O-])cc1C(F)(F)F ZINC001599584916 993599715 /nfs/dbraw/zinc/59/97/15/993599715.db2.gz XXSKAJWCOQXMNK-UHFFFAOYSA-N -1 0 344.264 3.558 20 0 EHADRM C[C@H](NC(=O)NC[C@@H](CC(=O)[O-])C1CC1)c1csc2ccccc21 ZINC001593082131 993668144 /nfs/dbraw/zinc/66/81/44/993668144.db2.gz MEMAAQXSTVGZBJ-WCQYABFASA-N -1 0 346.452 3.762 20 0 EHADRM COc1ccc(NC(=O)C[C@@H](C)Nc2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001599590219 993670219 /nfs/dbraw/zinc/67/02/19/993670219.db2.gz VAXXZMFVFNBIEJ-CYBMUJFWSA-N -1 0 342.395 3.531 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12)C1CCC1 ZINC001593114734 993793250 /nfs/dbraw/zinc/79/32/50/993793250.db2.gz AQVMITYFBTXCTE-LBPRGKRZSA-N -1 0 342.395 3.613 20 0 EHADRM COc1ccc(N[C@@H](C)c2ncc(C(=O)[O-])s2)c2ncccc12 ZINC001599599678 993797069 /nfs/dbraw/zinc/79/70/69/993797069.db2.gz XEOFJSSEHMJKFP-VIFPVBQESA-N -1 0 329.381 3.571 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C2CC2)cc1)c1ncc(C(=O)[O-])s1 ZINC001593117793 993818292 /nfs/dbraw/zinc/81/82/92/993818292.db2.gz VIQCBHYZVGXGNU-SECBINFHSA-N -1 0 331.397 3.601 20 0 EHADRM C[C@@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1c(F)cccc1Cl ZINC001593142677 993937633 /nfs/dbraw/zinc/93/76/33/993937633.db2.gz YLTFMHSAVOHUJJ-GMTAPVOTSA-N -1 0 327.783 3.547 20 0 EHADRM COc1ccc2[nH]c(C(=O)Nc3ccc(Cl)c(C(=O)[O-])c3)cc2c1 ZINC001599622793 994107563 /nfs/dbraw/zinc/10/75/63/994107563.db2.gz GGPZDLMUCKGFCE-UHFFFAOYSA-N -1 0 344.754 3.780 20 0 EHADRM COc1ccc2c(c1)C[C@H](Nc1cc(C(=O)[O-])cc3cccnc31)CC2 ZINC001599627121 994165105 /nfs/dbraw/zinc/16/51/05/994165105.db2.gz RWLOLKUEZMJLEQ-QGZVFWFLSA-N -1 0 348.402 3.911 20 0 EHADRM COc1ccc2c(c1)C[C@H](Nc1ccc([C@@H]3C[C@H]3C(=O)[O-])cc1)CC2 ZINC001599627412 994168980 /nfs/dbraw/zinc/16/89/80/994168980.db2.gz YENDCIGKFHMDDJ-YZGWKJHDSA-N -1 0 337.419 3.853 20 0 EHADRM COc1ccc2c(c1)CC[C@H]2C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001599627760 994174048 /nfs/dbraw/zinc/17/40/48/994174048.db2.gz RYPLZFWRZZDCIO-CQSZACIVSA-N -1 0 345.782 3.715 20 0 EHADRM C[C@@H](N[C@@H](C)c1ccc(C(=O)[O-])o1)c1cccc(N2CCCC2=O)c1 ZINC001593199463 994179908 /nfs/dbraw/zinc/17/99/08/994179908.db2.gz YCAHBHUJGUEHLS-OLZOCXBDSA-N -1 0 342.395 3.516 20 0 EHADRM C[C@@H](N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccc(C(F)F)nc1 ZINC001593204929 994210084 /nfs/dbraw/zinc/21/00/84/994210084.db2.gz XREGLAWGJDNGGE-SFYZADRCSA-N -1 0 327.356 3.586 20 0 EHADRM COc1ccc2cc(-c3noc(-c4ccc(C(=O)[O-])o4)n3)ccc2c1 ZINC001599633182 994248009 /nfs/dbraw/zinc/24/80/09/994248009.db2.gz AKPTTXVPIYAHCA-UHFFFAOYSA-N -1 0 336.303 3.857 20 0 EHADRM COc1ccc2cc(C(=O)NCC3(C(=O)[O-])CCCCC3)sc2c1 ZINC001599636600 994297350 /nfs/dbraw/zinc/29/73/50/994297350.db2.gz SFIAJHPOBUZYJO-UHFFFAOYSA-N -1 0 347.436 3.675 20 0 EHADRM COc1cccc(-c2nnc(SCc3ccsc3C(=O)[O-])o2)c1 ZINC001599639393 994336472 /nfs/dbraw/zinc/33/64/72/994336472.db2.gz PNLDXYKFKAHGFN-UHFFFAOYSA-N -1 0 348.405 3.797 20 0 EHADRM COc1cccc(C(=O)Nc2cc(F)cc(Cl)c2C(=O)[O-])c1F ZINC001599642693 994380739 /nfs/dbraw/zinc/38/07/39/994380739.db2.gz LPSBPFYOAOCVAX-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)c1cccc(C2CC2)c1 ZINC001599644270 994402889 /nfs/dbraw/zinc/40/28/89/994402889.db2.gz RDWLTEAZWHKRPV-UHFFFAOYSA-N -1 0 325.364 3.547 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)c1cc(C)c(Cl)cc1C ZINC001599644282 994402967 /nfs/dbraw/zinc/40/29/67/994402967.db2.gz RJCUOBHRFCTJIG-UHFFFAOYSA-N -1 0 347.798 3.940 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)C=C1CCC(C)(C)CC1 ZINC001599646525 994432588 /nfs/dbraw/zinc/43/25/88/994432588.db2.gz YIHYTYWCARMQDL-UHFFFAOYSA-N -1 0 331.412 3.883 20 0 EHADRM COc1cccc([C@H](C)CC(=O)Nc2ncc(C(=O)[O-])cc2Cl)c1 ZINC001599654958 994563671 /nfs/dbraw/zinc/56/36/71/994563671.db2.gz FFDLPBNKPZRDDC-SNVBAGLBSA-N -1 0 348.786 3.574 20 0 EHADRM C[C@@H](NCc1cc(C(=O)[O-])ccc1Cl)c1c(F)cncc1F ZINC001593288532 994657891 /nfs/dbraw/zinc/65/78/91/994657891.db2.gz LGJYNWGLZLPRSW-MRVPVSSYSA-N -1 0 326.730 3.562 20 0 EHADRM COc1cccc(C[C@@H](C)CC(=O)Nc2cc(C(=O)[O-])ccc2F)c1 ZINC001599667006 994747282 /nfs/dbraw/zinc/74/72/82/994747282.db2.gz VUVPYNKBKZRHFR-GFCCVEGCSA-N -1 0 345.370 3.740 20 0 EHADRM C[C@H](NCc1cccc(C(=O)[O-])c1Cl)c1c(F)cncc1F ZINC001593304808 994754309 /nfs/dbraw/zinc/75/43/09/994754309.db2.gz SUNANODVHKTAAP-QMMMGPOBSA-N -1 0 326.730 3.562 20 0 EHADRM C[C@H](NCc1ccsc1Br)c1cc(C(=O)[O-])co1 ZINC001593309783 994768347 /nfs/dbraw/zinc/76/83/47/994768347.db2.gz AORPDUUIEQDZQJ-ZETCQYMHSA-N -1 0 330.203 3.653 20 0 EHADRM C[C@H](NCc1cnc(C(=O)[O-])cn1)c1ccccc1Oc1ccccc1 ZINC001593311713 994786863 /nfs/dbraw/zinc/78/68/63/994786863.db2.gz SXTYXKMVKKNNET-AWEZNQCLSA-N -1 0 349.390 3.818 20 0 EHADRM C[C@H](NCc1csc(C(=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC001593312584 994802303 /nfs/dbraw/zinc/80/23/03/994802303.db2.gz XJXDSAADCIWYIN-LURJTMIESA-N -1 0 336.360 3.772 20 0 EHADRM COc1cccc(CN(C)C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c1 ZINC001599670624 994805192 /nfs/dbraw/zinc/80/51/92/994805192.db2.gz CVQPONJALHQYRW-UHFFFAOYSA-N -1 0 342.395 3.674 20 0 EHADRM C[C@H](NCc1occc1C(=O)[O-])c1nc2ccccc2n1C(F)F ZINC001593318217 994829949 /nfs/dbraw/zinc/82/99/49/994829949.db2.gz CMPNETIBZMPSEX-VIFPVBQESA-N -1 0 335.310 3.573 20 0 EHADRM CCCCCOc1ccc(S(=O)(=O)Nc2ncccc2F)cc1 ZINC000180260933 1015896700 /nfs/dbraw/zinc/89/67/00/1015896700.db2.gz PIDSKJOOTGEGFK-UHFFFAOYSA-N -1 0 338.404 3.591 20 0 EHADRM COc1cccc(COC(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)c1 ZINC001599675239 994886319 /nfs/dbraw/zinc/88/63/19/994886319.db2.gz AQJJELCUTDVMHY-KRWDZBQOSA-N -1 0 343.379 3.528 20 0 EHADRM COc1cccc(CNc2ccc(OCC(=O)[O-])cc2C)c1Cl ZINC001599675781 994895109 /nfs/dbraw/zinc/89/51/09/994895109.db2.gz XQYYOCGYOGKLMZ-UHFFFAOYSA-N -1 0 335.787 3.733 20 0 EHADRM COc1cccc(COc2cnc(Cl)cc2C(=O)[O-])c1Cl ZINC001599676067 994899363 /nfs/dbraw/zinc/89/93/63/994899363.db2.gz FIUYOFBIPVMPMY-UHFFFAOYSA-N -1 0 328.151 3.674 20 0 EHADRM COc1cccc(S[C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC001599683205 995015907 /nfs/dbraw/zinc/01/59/07/995015907.db2.gz IQFZJCPIPNCZJY-GFCCVEGCSA-N -1 0 345.420 3.821 20 0 EHADRM C[C@@H](Nc1ccc(C(=O)[O-])nn1)c1cccc(SC(F)(F)F)c1 ZINC001593363166 995035114 /nfs/dbraw/zinc/03/51/14/995035114.db2.gz PNDQPIBHKLKBEC-MRVPVSSYSA-N -1 0 343.330 3.960 20 0 EHADRM C[C@H](Nc1ccc2oc(C(C)(C)C)nc2c1)c1nc(C(=O)[O-])co1 ZINC001593365809 995044696 /nfs/dbraw/zinc/04/46/96/995044696.db2.gz KMXVXULRQPOPEG-VIFPVBQESA-N -1 0 329.356 3.985 20 0 EHADRM C[C@H](Nc1ncnc2ccc(F)cc21)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593373246 995064143 /nfs/dbraw/zinc/06/41/43/995064143.db2.gz AEXYPHXLMGSPHD-WFASDCNBSA-N -1 0 339.370 3.513 20 0 EHADRM C[C@@H](Nc1ncc(C(=O)[O-])cc1Cl)c1cc(F)ccc1N(C)C ZINC001593373691 995068090 /nfs/dbraw/zinc/06/80/90/995068090.db2.gz HHUCTPQGGJUEBR-SECBINFHSA-N -1 0 337.782 3.811 20 0 EHADRM C[C@H](Nc1ncc(C(=O)[O-])s1)c1nc2ccccc2n1C(F)F ZINC001593374601 995074078 /nfs/dbraw/zinc/07/40/78/995074078.db2.gz UHIGSMCNNZQOQQ-ZETCQYMHSA-N -1 0 338.339 3.759 20 0 EHADRM C[C@@](O)(CC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)c1ccccc1 ZINC001593380544 995089841 /nfs/dbraw/zinc/08/98/41/995089841.db2.gz ARPPBTYWESIFHK-OAQYLSRUSA-N -1 0 349.386 3.774 20 0 EHADRM COC(=O)[C@@H](SC[C@H]1CC1(Cl)Cl)c1cccc(C(=O)[O-])c1 ZINC001598710924 995348182 /nfs/dbraw/zinc/34/81/82/995348182.db2.gz HTNKUXCQJQAWET-MNOVXSKESA-N -1 0 349.235 3.526 20 0 EHADRM C[C@H](OC(=O)C1(c2ccc(Cl)cc2)CC1)c1cc(C(=O)[O-])co1 ZINC001593495938 995471107 /nfs/dbraw/zinc/47/11/07/995471107.db2.gz CTQBFNBVEKGWRG-JTQLQIEISA-N -1 0 334.755 3.967 20 0 EHADRM C[C@H](OC(=O)CC(C)(C)CC(=O)[O-])c1ccc(C(F)(F)F)cn1 ZINC001593514810 995534977 /nfs/dbraw/zinc/53/49/77/995534977.db2.gz KGXPKSKPSOIIDA-VIFPVBQESA-N -1 0 333.306 3.596 20 0 EHADRM Cc1coc(-c2cccc([N-]S(=O)(=O)c3cccc(C)c3F)c2)n1 ZINC000180518366 1015968269 /nfs/dbraw/zinc/96/82/69/1015968269.db2.gz FUMDDRARPGLMBZ-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM C[C@@H](OC(=O)c1cccn1Cc1cccs1)c1ccc(C(=O)[O-])o1 ZINC001593591748 995717043 /nfs/dbraw/zinc/71/70/43/995717043.db2.gz KHBPEDMYCQGJMN-LLVKDONJSA-N -1 0 345.376 3.807 20 0 EHADRM C[C@@H](OC(=O)c1ccccc1-n1cccc1)c1cc(C(=O)[O-])co1 ZINC001593594170 995729106 /nfs/dbraw/zinc/72/91/06/995729106.db2.gz WHQYRQGAGKMXFX-GFCCVEGCSA-N -1 0 325.320 3.687 20 0 EHADRM C[C@@H](Oc1cccc2ccccc21)C(=O)N(CC(=O)[O-])c1ccccc1 ZINC001593640484 995945974 /nfs/dbraw/zinc/94/59/74/995945974.db2.gz IURUBPXQCXKIAX-OAHLLOKOSA-N -1 0 349.386 3.725 20 0 EHADRM C[C@@H](Oc1ccccc1CNc1ccc(-c2cnco2)cc1)C(=O)[O-] ZINC001593647914 995994371 /nfs/dbraw/zinc/99/43/71/995994371.db2.gz DMEMXHZIKCSLME-CYBMUJFWSA-N -1 0 338.363 3.806 20 0 EHADRM C[C@@H](Sc1ccc(C(=O)[O-])cc1)C(=O)Nc1ccc(Cl)cn1 ZINC001593664138 996049440 /nfs/dbraw/zinc/04/94/40/996049440.db2.gz IHRXHSJUOPLANL-SECBINFHSA-N -1 0 336.800 3.553 20 0 EHADRM C[C@H](Sc1ccc(F)cc1)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC001593667016 996055194 /nfs/dbraw/zinc/05/51/94/996055194.db2.gz INLOJSFJLNGKJT-LBPRGKRZSA-N -1 0 339.432 3.600 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CC(C2CCCCC2)C1)C(=O)[O-] ZINC001593668280 996062075 /nfs/dbraw/zinc/06/20/75/996062075.db2.gz OYZHZPINJQIVHE-ZDUSSCGKSA-N -1 0 347.480 3.904 20 0 EHADRM C[C@@H](Sc1nc2cc(Cl)ccc2n1C)c1nc(C(=O)[O-])co1 ZINC001593679163 996097937 /nfs/dbraw/zinc/09/79/37/996097937.db2.gz GBCZBRCSUKKDFZ-SSDOTTSWSA-N -1 0 337.788 3.766 20 0 EHADRM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001593687267 996126516 /nfs/dbraw/zinc/12/65/16/996126516.db2.gz OYDJXCLAGXCQKT-NSHDSACASA-N -1 0 348.349 3.817 20 0 EHADRM C[C@@H](c1cc(F)ccc1F)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001593687906 996129002 /nfs/dbraw/zinc/12/90/02/996129002.db2.gz WAOIFQIPQCDLBH-JTQLQIEISA-N -1 0 335.325 3.921 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1Cl)N(C)c1cnc(C(=O)[O-])cn1 ZINC001593692511 996139836 /nfs/dbraw/zinc/13/98/36/996139836.db2.gz DRDMQHCVKQZDHH-QMMMGPOBSA-N -1 0 326.183 3.679 20 0 EHADRM C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001593706296 996196081 /nfs/dbraw/zinc/19/60/81/996196081.db2.gz PEPLDHCLLRLRIF-CJNGLKHVSA-N -1 0 339.395 3.580 20 0 EHADRM CC1(C(=O)Nc2ccc(Oc3ccnc(C(=O)[O-])c3)cc2)CC=CC1 ZINC001593759626 996416316 /nfs/dbraw/zinc/41/63/16/996416316.db2.gz HPCCZZWAPRYNKZ-UHFFFAOYSA-N -1 0 338.363 3.867 20 0 EHADRM CC(C)(C)c1nc(NC(=O)C2(C)CC(F)(F)C2)sc1C(=O)[O-] ZINC001593761596 996423042 /nfs/dbraw/zinc/42/30/42/996423042.db2.gz MVQROFHZFCNXIZ-UHFFFAOYSA-N -1 0 332.372 3.513 20 0 EHADRM COC(=O)CCC[C@H]1CCC[C@H](Nc2ccc(C(=O)[O-])cc2OC)C1 ZINC001598850735 996601761 /nfs/dbraw/zinc/60/17/61/996601761.db2.gz GVASUPRFPKHEOJ-HIFRSBDPSA-N -1 0 349.427 3.707 20 0 EHADRM CC1(C)C[C@@H](OC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c2ccccc2O1 ZINC001593861600 996654948 /nfs/dbraw/zinc/65/49/48/996654948.db2.gz BWGSLMKTOVEPPY-XJKCOSOUSA-N -1 0 332.396 3.723 20 0 EHADRM CC1(C)C[C@@H](c2ccccc2)N(C(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC001593864044 996664958 /nfs/dbraw/zinc/66/49/58/996664958.db2.gz OTMGSQPPNKIEGE-SFHVURJKSA-N -1 0 337.419 3.927 20 0 EHADRM CC1(C)C[C@@H](c2ccccc2)N(C(=O)/C=C/c2ccc(C(=O)[O-])o2)C1 ZINC001593864536 996666762 /nfs/dbraw/zinc/66/67/62/996666762.db2.gz WUMFUKSKHJLMEZ-SOGBHIHOSA-N -1 0 339.391 3.991 20 0 EHADRM CC1(C)C[C@@]1(NC(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccccc1 ZINC001593869137 996677024 /nfs/dbraw/zinc/67/70/24/996677024.db2.gz USARYPYKJZUHJR-LJQANCHMSA-N -1 0 342.370 3.971 20 0 EHADRM CC1(C)CC=C(C(=O)N[C@@H](Cc2cc3ccccc3o2)C(=O)[O-])CC1 ZINC001593870842 996681695 /nfs/dbraw/zinc/68/16/95/996681695.db2.gz HLIOIXBJCBKJPB-INIZCTEOSA-N -1 0 341.407 3.681 20 0 EHADRM CC1(C)CC[C@H](CNC(=O)NCCCCCC(=O)[O-])c2ccccc21 ZINC001593878737 996705016 /nfs/dbraw/zinc/70/50/16/996705016.db2.gz XJUTXEPLUFNGRN-OAHLLOKOSA-N -1 0 346.471 3.786 20 0 EHADRM CC1(C)CC[C@H]1C(=O)Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1 ZINC001593883764 996718188 /nfs/dbraw/zinc/71/81/88/996718188.db2.gz SLCHKYBUVAJXTG-LBPRGKRZSA-N -1 0 330.409 3.883 20 0 EHADRM CC1(C)CCC[C@H]1C(=O)Oc1ccc(Br)cc1C(=O)[O-] ZINC001593898140 996759699 /nfs/dbraw/zinc/75/96/99/996759699.db2.gz SQGLIHNFVRRPHN-NSHDSACASA-N -1 0 341.201 3.879 20 0 EHADRM CC1(C)CCC[C@H]1[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC001593898338 996760507 /nfs/dbraw/zinc/76/05/07/996760507.db2.gz URKPSTQFDBQUAT-ZFWWWQNUSA-N -1 0 333.403 3.812 20 0 EHADRM CC1(C)CCC[C@H]1N(Cc1ccccc1)C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001593903109 996770280 /nfs/dbraw/zinc/77/02/80/996770280.db2.gz JFJTUPKZZJBDLY-IXDOHACOSA-N -1 0 329.440 3.705 20 0 EHADRM CC1(C)CCN(C(=O)c2cc(F)cc(C(=O)[O-])c2)c2ccccc21 ZINC001593911349 996802738 /nfs/dbraw/zinc/80/27/38/996802738.db2.gz DSZLERLNYDKCCM-UHFFFAOYSA-N -1 0 327.355 3.852 20 0 EHADRM CC1(C)CCc2cccc(NC(=O)c3ccccc3C(=O)[O-])c2O1 ZINC001593916739 996821648 /nfs/dbraw/zinc/82/16/48/996821648.db2.gz YVXAQCQSQDRCHI-UHFFFAOYSA-N -1 0 325.364 3.741 20 0 EHADRM COc1ccc(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc1C1CC1 ZINC001599485687 996844270 /nfs/dbraw/zinc/84/42/70/996844270.db2.gz GEPRRRKWGLLGLR-UHFFFAOYSA-N -1 0 347.317 3.801 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)C/C=C\c2ccc(C)cc2)c1 ZINC001599487341 996874777 /nfs/dbraw/zinc/87/47/77/996874777.db2.gz GTKQZASYCRBTHY-ARJAWSKDSA-N -1 0 325.364 3.744 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)c2cc(Cl)nc(C3CC3)c2)c1 ZINC001599492529 996965540 /nfs/dbraw/zinc/96/55/40/996965540.db2.gz SBUJULXCAMIXLA-UHFFFAOYSA-N -1 0 347.754 3.538 20 0 EHADRM COc1cc(C)c(C)cc1NC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001599390633 997028808 /nfs/dbraw/zinc/02/88/08/997028808.db2.gz HFMFXESEBPNBRE-UHFFFAOYSA-N -1 0 331.412 3.676 20 0 EHADRM COCc1cc(NC/C=C/c2ccccc2OC)cc(C(=O)[O-])c1 ZINC001599289726 997043046 /nfs/dbraw/zinc/04/30/46/997043046.db2.gz MAHNKPMUCRMARE-FNORWQNLSA-N -1 0 327.380 3.665 20 0 EHADRM COCc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1F ZINC001599290244 997052946 /nfs/dbraw/zinc/05/29/46/997052946.db2.gz MOPVADSOFKLZTJ-UHFFFAOYSA-N -1 0 337.734 3.576 20 0 EHADRM COCc1ccc(C(=O)Nc2cccc3cc(C(=O)[O-])sc32)o1 ZINC001599290253 997053126 /nfs/dbraw/zinc/05/31/26/997053126.db2.gz NBZKDFDIKOXUSW-UHFFFAOYSA-N -1 0 331.349 3.591 20 0 EHADRM COc1ccc(C(=O)[O-])cc1COc1ccc2ccccc2c1C=O ZINC001599499885 997097032 /nfs/dbraw/zinc/09/70/32/997097032.db2.gz QTZFRXYTFWZDIC-UHFFFAOYSA-N -1 0 336.343 3.938 20 0 EHADRM COc1ccc(C(=O)[O-])cc1CSC[C@@H]1OCCc2ccccc21 ZINC001599500066 997100727 /nfs/dbraw/zinc/10/07/27/997100727.db2.gz SNYIMKJJHAHAKA-SFHVURJKSA-N -1 0 344.432 3.941 20 0 EHADRM COc1cc(C=CC(=O)[O-])ccc1OCC(=O)c1cc(C)ccc1C ZINC001599398072 997164475 /nfs/dbraw/zinc/16/44/75/997164475.db2.gz DAJCOQCTLJDZDS-CLFYSBASSA-N -1 0 340.375 3.672 20 0 EHADRM COCc1ccsc1C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001599297258 997167992 /nfs/dbraw/zinc/16/79/92/997167992.db2.gz KXLAMGUXGJIIQT-UHFFFAOYSA-N -1 0 349.408 3.632 20 0 EHADRM COCc1csc(CNc2cc(C(F)(F)F)c(C(=O)[O-])cn2)c1 ZINC001599299259 997202507 /nfs/dbraw/zinc/20/25/07/997202507.db2.gz GPNKDIOBPSSZLO-UHFFFAOYSA-N -1 0 346.330 3.619 20 0 EHADRM COc1ccc(/C(C)=C\C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])cc1 ZINC001599506518 997219467 /nfs/dbraw/zinc/21/94/67/997219467.db2.gz RZMLJSUBQNIWIY-RXXLQFRUSA-N -1 0 345.439 3.638 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001599401678 997224451 /nfs/dbraw/zinc/22/44/51/997224451.db2.gz ZODYDYBSAWVVPF-IANUHJRKSA-N -1 0 344.407 3.915 20 0 EHADRM CC1(C)[C@H](C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)[C@H]1c1ccccc1 ZINC001593987153 997226057 /nfs/dbraw/zinc/22/60/57/997226057.db2.gz HYKCRAHAKDSSNJ-TXTZMMAHSA-N -1 0 341.451 3.671 20 0 EHADRM COc1ccc([C@H](C)COc2cc(/C=C\C(=O)[O-])ccc2OC)cc1 ZINC001599507024 997227919 /nfs/dbraw/zinc/22/79/19/997227919.db2.gz GTQOBPDSQAFLJV-JAYGETEZSA-N -1 0 342.391 3.984 20 0 EHADRM COc1ccc([C@@H](C)N(C)C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001599507519 997236855 /nfs/dbraw/zinc/23/68/55/997236855.db2.gz QYGUIIJFCJBTGJ-GFCCVEGCSA-N -1 0 328.368 3.618 20 0 EHADRM CO[C@@H]1CCC[C@H](C(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)C1 ZINC001599101800 997398586 /nfs/dbraw/zinc/39/85/86/997398586.db2.gz BUCKOWFBFJSKRR-YESZJQIVSA-N -1 0 339.476 3.512 20 0 EHADRM COc1ccc([C@H](NC(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)C(=O)[O-])cc1 ZINC001599520893 997478084 /nfs/dbraw/zinc/47/80/84/997478084.db2.gz VKERWMCXUBIUBE-GLJUWKHASA-N -1 0 347.455 3.790 20 0 EHADRM CC1(CNC(=O)NCCc2cc3ccc(C(=O)[O-])cc3o2)CCCC1 ZINC001594019517 997517528 /nfs/dbraw/zinc/51/75/28/997517528.db2.gz HGTBRLZTJKKLTP-UHFFFAOYSA-N -1 0 344.411 3.553 20 0 EHADRM COc1cc(Cl)c(Cl)cc1NC(=O)c1cc(C(=O)[O-])oc1C ZINC001599419492 997568544 /nfs/dbraw/zinc/56/85/44/997568544.db2.gz LPXFDRZMDYNLLL-UHFFFAOYSA-N -1 0 344.150 3.854 20 0 EHADRM COc1ccc([C@H](N[C@@H](C)c2cc3ccccc3o2)C(=O)[O-])cc1 ZINC001599528221 997600822 /nfs/dbraw/zinc/60/08/22/997600822.db2.gz OHQGHNBSRRPVDW-SGTLLEGYSA-N -1 0 325.364 3.918 20 0 EHADRM COc1cc(F)c(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c(F)c1 ZINC001599422381 997616007 /nfs/dbraw/zinc/61/60/07/997616007.db2.gz VUJJWMCIAYRSMG-UHFFFAOYSA-N -1 0 349.333 3.588 20 0 EHADRM CO[C@H]1CCC[C@H]1CNC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001599115876 997651902 /nfs/dbraw/zinc/65/19/02/997651902.db2.gz VWOCUJPHGXOHIX-GWCFXTLKSA-N -1 0 348.424 3.536 20 0 EHADRM COCC[C@H]1CCN(Cc2csc(C(=O)[O-])c2)c2ccccc21 ZINC001599220151 997652377 /nfs/dbraw/zinc/65/23/77/997652377.db2.gz ARQGFUSQGLODGR-CQSZACIVSA-N -1 0 331.437 3.977 20 0 EHADRM COc1cc(F)cc(NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])c1 ZINC001599426118 997678584 /nfs/dbraw/zinc/67/85/84/997678584.db2.gz XEHKEVZTFHTJII-SNVBAGLBSA-N -1 0 349.383 3.652 20 0 EHADRM C[C@]1(Cc2noc(-c3ccc(C(=O)[O-])s3)n2)CC1(Cl)Cl ZINC001594043848 997682683 /nfs/dbraw/zinc/68/26/83/997682683.db2.gz SEDFVCTWVXBASD-NSHDSACASA-N -1 0 333.196 3.623 20 0 EHADRM COc1cc(NC(=O)C[C@@H]2CCCCC2(C)C)c(C(=O)[O-])cc1OC ZINC001599431100 997760286 /nfs/dbraw/zinc/76/02/86/997760286.db2.gz IJKQFAAWPFRYNV-LBPRGKRZSA-N -1 0 349.427 3.947 20 0 EHADRM COc1cc(NC(=O)Cc2ccc(CC(C)C)cc2)ccc1C(=O)[O-] ZINC001599434838 997824724 /nfs/dbraw/zinc/82/47/24/997824724.db2.gz JEDKDBCHOFVVFB-UHFFFAOYSA-N -1 0 341.407 3.773 20 0 EHADRM COc1c(NC(=O)N2CCc3ccsc3[C@H]2C)cccc1C(=O)[O-] ZINC001599340000 997905697 /nfs/dbraw/zinc/90/56/97/997905697.db2.gz FJMXTVUWVHQKMB-SNVBAGLBSA-N -1 0 346.408 3.606 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)c1nccc2ccccc21 ZINC001599545087 997910143 /nfs/dbraw/zinc/91/01/43/997910143.db2.gz JTOCWANEYGWLIZ-CLFYSBASSA-N -1 0 349.342 3.560 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)C[C@H]1CCCC1(F)F ZINC001599545879 997921343 /nfs/dbraw/zinc/92/13/43/997921343.db2.gz KBZHLHINYYLENA-HOSRBBHYSA-N -1 0 340.322 3.524 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)C[C@@H]1CCCC1(F)F ZINC001599545881 997922584 /nfs/dbraw/zinc/92/25/84/997922584.db2.gz KBZHLHINYYLENA-PZBABLGHSA-N -1 0 340.322 3.524 20 0 EHADRM COc1cc(NC(=O)c2cccc(C3CC3)c2)c(C(=O)[O-])cc1OC ZINC001599441731 997941076 /nfs/dbraw/zinc/94/10/76/997941076.db2.gz BWWJSZUBFKCKNG-UHFFFAOYSA-N -1 0 341.363 3.532 20 0 EHADRM COc1cc(NC(=O)c2ccc(/C=C/C(=O)[O-])o2)cc2ccccc21 ZINC001599442222 997948636 /nfs/dbraw/zinc/94/86/36/997948636.db2.gz LPMLRNUXANIZRT-VQHVLOKHSA-N -1 0 337.331 3.792 20 0 EHADRM COc1cc(NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])ccc1F ZINC001599442612 997954174 /nfs/dbraw/zinc/95/41/74/997954174.db2.gz ILYNAEHUXBMZAN-SNVBAGLBSA-N -1 0 349.383 3.652 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)c1cc2ccsc2[nH]1 ZINC001599547942 997956420 /nfs/dbraw/zinc/95/64/20/997956420.db2.gz ZXJXLMDPUWEBFA-HYXAFXHYSA-N -1 0 343.360 3.555 20 0 EHADRM C[C@@]1(c2ccccc2)CN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CCO1 ZINC001594079146 997962122 /nfs/dbraw/zinc/96/21/22/997962122.db2.gz MYKRVYHKIGHLKS-MJGOQNOKSA-N -1 0 345.826 3.713 20 0 EHADRM COc1cc(NCc2cc(C(=O)[O-])c(C)o2)cc(OC)c1Cl ZINC001599444273 997981574 /nfs/dbraw/zinc/98/15/74/997981574.db2.gz PXLYMISPNHDGBX-UHFFFAOYSA-N -1 0 325.748 3.569 20 0 EHADRM COc1ccc(C[C@H](C)CN(C)c2ncc(C(=O)[O-])cc2Cl)cc1 ZINC001599549995 997990406 /nfs/dbraw/zinc/99/04/06/997990406.db2.gz HMPFYXCSGSODCR-LBPRGKRZSA-N -1 0 348.830 3.757 20 0 EHADRM COc1cc(OC(=O)C/C=C/c2cccc(F)c2)ccc1C(=O)[O-] ZINC001599445824 998007229 /nfs/dbraw/zinc/00/72/29/998007229.db2.gz NKCXRHKOCQBCLH-HWKANZROSA-N -1 0 330.311 3.541 20 0 EHADRM COc1cc(OC(=O)Cc2ccc(C)c(Cl)c2)ccc1C(=O)[O-] ZINC001599446289 998014984 /nfs/dbraw/zinc/01/49/84/998014984.db2.gz XJFPTXNQZNWTOI-UHFFFAOYSA-N -1 0 334.755 3.503 20 0 EHADRM COc1cc(OC(=O)C[C@]23CCCC[C@H]2C3(F)F)ccc1C(=O)[O-] ZINC001599446366 998016662 /nfs/dbraw/zinc/01/66/62/998016662.db2.gz YTXWSPFTDCKURP-CZUORRHYSA-N -1 0 340.322 3.514 20 0 EHADRM COc1cc(OC)c(NCc2ccc(C(=O)[O-])cc2F)cc1Cl ZINC001599449049 998059109 /nfs/dbraw/zinc/05/91/09/998059109.db2.gz SDFHWAXBUFDPAL-UHFFFAOYSA-N -1 0 339.750 3.807 20 0 EHADRM COc1ccc(CCCN(C)c2nc(Cl)c(C(=O)[O-])s2)cc1 ZINC001599554441 998065387 /nfs/dbraw/zinc/06/53/87/998065387.db2.gz JGSQKBQHRMAMIN-UHFFFAOYSA-N -1 0 340.832 3.572 20 0 EHADRM Cc1ccc(N2C(=O)N[C@H](c3ccccc3)C(C(=O)[O-])=C2C)cc1F ZINC001594097976 998076068 /nfs/dbraw/zinc/07/60/68/998076068.db2.gz LZTGREWPVRSKBQ-QGZVFWFLSA-N -1 0 340.354 3.764 20 0 EHADRM COc1ccc(C[N@H+](C)[C@H](C(=O)[O-])c2ccccc2F)cc1Cl ZINC001599558862 998148393 /nfs/dbraw/zinc/14/83/93/998148393.db2.gz MRBXYLYWPQSMMT-INIZCTEOSA-N -1 0 337.778 3.745 20 0 EHADRM Cc1ccc([C@H](CNC(=O)[C@]2(C)CCC(C)=C(C)C2)C(=O)[O-])cc1 ZINC001594110806 998215238 /nfs/dbraw/zinc/21/52/38/998215238.db2.gz ZWFNEQSVZGYFQO-FXAWDEMLSA-N -1 0 329.440 3.806 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1O ZINC001599358526 998221326 /nfs/dbraw/zinc/22/13/26/998221326.db2.gz POOJAENNLWOBCZ-YNEHKIRRSA-N -1 0 347.411 3.644 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)C[C@H](C)CCC=C(C)C)c1O ZINC001599358788 998224644 /nfs/dbraw/zinc/22/46/44/998224644.db2.gz DLXQKTNPMROPFM-GFCCVEGCSA-N -1 0 335.400 3.810 20 0 EHADRM CC1=CC[C@](C)(C(=O)N2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)CC1 ZINC001594113975 998233406 /nfs/dbraw/zinc/23/34/06/998233406.db2.gz WRZBVGTXDLVVME-ACJLOTCBSA-N -1 0 348.468 3.684 20 0 EHADRM COC(=O)c1ccc(C(=O)Nc2c(C(=O)[O-])ccc3ccccc32)cc1 ZINC001598958630 998290768 /nfs/dbraw/zinc/29/07/68/998290768.db2.gz KZKXLVZMYSVXBG-UHFFFAOYSA-N -1 0 349.342 3.577 20 0 EHADRM COc1ccc(CNC(=O)Nc2cc(Cl)ccc2C)cc1C(=O)[O-] ZINC001599570248 998352120 /nfs/dbraw/zinc/35/21/20/998352120.db2.gz YVIHMMXOEYEPCR-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM COc1ccc(CNc2cc(C(=O)[O-])ccc2OC(C)C)c(F)c1 ZINC001599573466 998403996 /nfs/dbraw/zinc/40/39/96/998403996.db2.gz AEEMJFBKTSHYIB-UHFFFAOYSA-N -1 0 333.359 3.932 20 0 EHADRM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)C[C@@H](C)CCC=C(C)C ZINC001598966961 998440105 /nfs/dbraw/zinc/44/01/05/998440105.db2.gz WGMCATQZIFJVTF-ZDUSSCGKSA-N -1 0 347.411 3.883 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@@H](C)c1ccc(Cl)cc1 ZINC001599377733 998515210 /nfs/dbraw/zinc/51/52/10/998515210.db2.gz MDQCRLVEHZQDNM-JTQLQIEISA-N -1 0 334.755 3.756 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)c1cc(C)c(C)cc1Cl ZINC001599378752 998532569 /nfs/dbraw/zinc/53/25/69/998532569.db2.gz FQLURFBYRMDCLA-UHFFFAOYSA-N -1 0 334.755 3.883 20 0 EHADRM COC(=O)c1ccc(F)c(COc2ccc(C(=O)[O-])cc2Cl)c1 ZINC001598977121 998613371 /nfs/dbraw/zinc/61/33/71/998613371.db2.gz JHOJFKSXKSJCQH-UHFFFAOYSA-N -1 0 338.718 3.543 20 0 EHADRM C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001594172567 998662692 /nfs/dbraw/zinc/66/26/92/998662692.db2.gz FOIBBYMSXMMVHT-KCJUWKMLSA-N -1 0 348.296 3.719 20 0 EHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@H]1Nc1ccc(N2CCSCC2)cc1 ZINC001594183901 998711645 /nfs/dbraw/zinc/71/16/45/998711645.db2.gz BVWNKVAQOLVDBM-CKEIUWERSA-N -1 0 334.485 3.541 20 0 EHADRM C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001594213956 998824756 /nfs/dbraw/zinc/82/47/56/998824756.db2.gz HCPDXHZKMNQHEI-PBHICJAKSA-N -1 0 346.471 3.784 20 0 EHADRM C[C@H]1CC(C(=O)Nc2sc3c(c2C(=O)[O-])CCOC3)C[C@H](C)C1 ZINC001594222482 998856714 /nfs/dbraw/zinc/85/67/14/998856714.db2.gz DBPZOZFGAGNXOQ-NXEZZACHSA-N -1 0 337.441 3.530 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)N(C(=O)/C=C/c2ccc(C(=O)[O-])o2)C1 ZINC001594268809 999039612 /nfs/dbraw/zinc/03/96/12/999039612.db2.gz CFTCFOGBBKRBSL-XCUOTZKBSA-N -1 0 325.364 3.601 20 0 EHADRM C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC001594273166 999059095 /nfs/dbraw/zinc/05/90/95/999059095.db2.gz ZJBHOMFCEQPJKT-BZNIZROVSA-N -1 0 343.358 3.534 20 0 EHADRM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)[O-] ZINC001594275142 999064338 /nfs/dbraw/zinc/06/43/38/999064338.db2.gz NLOXDBYHSRAGDY-XAVMHZPKSA-N -1 0 328.195 3.922 20 0 EHADRM C[C@H]1C[C@@H]1c1cc(NC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)n[nH]1 ZINC001594277663 999074368 /nfs/dbraw/zinc/07/43/68/999074368.db2.gz QWLLYGZLDBDAOF-CBAPKCEASA-N -1 0 334.763 3.529 20 0 EHADRM C[C@@H]1C[C@H]1c1cc(NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)n[nH]1 ZINC001594278232 999077020 /nfs/dbraw/zinc/07/70/20/999077020.db2.gz WIBYPWCPTMOBNO-RDDDGLTNSA-N -1 0 334.763 3.529 20 0 EHADRM Cc1cc(C(=O)[N-]c2nnc([C@@H]3CCCc4ccccc43)s2)on1 ZINC000683344877 1016284759 /nfs/dbraw/zinc/28/47/59/1016284759.db2.gz GKTRUEHUTMXDIX-CYBMUJFWSA-N -1 0 340.408 3.555 20 0 EHADRM C[C@@H]1CC[C@](C)(/C=C/C(=O)N[C@@H](C(=O)[O-])c2ccc(O)cc2)C1(C)C ZINC001594295389 999136354 /nfs/dbraw/zinc/13/63/54/999136354.db2.gz AUSDLYXTYQUFTF-KZXHVPCPSA-N -1 0 345.439 3.653 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)Nc2cc(C(F)(F)F)cnc2C(=O)[O-])C[C@H]1C ZINC001594295967 999139651 /nfs/dbraw/zinc/13/96/51/999139651.db2.gz LJYAXNXIWLIPBY-OPRDCNLKSA-N -1 0 344.333 3.809 20 0 EHADRM C[C@@H]1CC[C@@](C)(/C=C/C(=O)N[C@H](C(=O)[O-])c2ccccc2)C1(C)C ZINC001594296192 999140551 /nfs/dbraw/zinc/14/05/51/999140551.db2.gz NVFJDEHZNVZIMH-MPPDKVFKSA-N -1 0 329.440 3.947 20 0 EHADRM CO[C@H]([C@@H](C)NC(=O)Nc1cccc2cc(C(=O)[O-])sc21)C1CC1 ZINC001599044589 999142079 /nfs/dbraw/zinc/14/20/79/999142079.db2.gz ZTDQEDMKXFCLRX-YMTOWFKASA-N -1 0 348.424 3.535 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)N[C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)C1 ZINC001594297136 999145842 /nfs/dbraw/zinc/14/58/42/999145842.db2.gz RYADPSQEIODIAN-WQAKAFBOSA-N -1 0 329.318 3.541 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)Nc2ccc(Br)cc2C(=O)[O-])C1 ZINC001594297184 999146222 /nfs/dbraw/zinc/14/62/22/999146222.db2.gz SRJITWAJXFJMMV-RKDXNWHRSA-N -1 0 326.190 3.522 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)O[C@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC001594297588 999147805 /nfs/dbraw/zinc/14/78/05/999147805.db2.gz YHEYEASHNVHTNJ-NRUUGDAUSA-N -1 0 330.302 3.811 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1cc(C(=O)[O-])cs1 ZINC001594298033 999150229 /nfs/dbraw/zinc/15/02/29/999150229.db2.gz FEBWVZXRDDSPLE-BNOWGMLFSA-N -1 0 339.457 3.862 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1CNC(=O)c1cccc(CC(=O)[O-])c1 ZINC001594298372 999151169 /nfs/dbraw/zinc/15/11/69/999151169.db2.gz IFQBXBGUKJQWOS-OLMNPRSZSA-N -1 0 331.456 3.752 20 0 EHADRM CC1CCC(C)(NC(=O)Nc2ccc(C(=O)[O-])cc2N(C)C)CC1 ZINC001594300193 999159353 /nfs/dbraw/zinc/15/93/53/999159353.db2.gz OQAKEAKXGBTFIS-UHFFFAOYSA-N -1 0 333.432 3.541 20 0 EHADRM C[C@@H]1CC[C@](NC(=O)c2cc3ccccc3[nH]2)(C(=O)[O-])c2ccccc21 ZINC001594321635 999236855 /nfs/dbraw/zinc/23/68/55/999236855.db2.gz FMCWKRSEWUSBIM-LRTDBIEQSA-N -1 0 348.402 3.775 20 0 EHADRM CO[C@H](Cc1ccccc1)CN1CCCCc2cc(C(=O)[O-])ccc21 ZINC001599057777 999242656 /nfs/dbraw/zinc/24/26/56/999242656.db2.gz HRRYWGLJHXJBOZ-LJQANCHMSA-N -1 0 339.435 3.785 20 0 EHADRM CO[C@H](CS[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C)CC(C)C ZINC001599058645 999249064 /nfs/dbraw/zinc/24/90/64/999249064.db2.gz JNXDFOXPXFREJE-STQMWFEESA-N -1 0 341.473 3.695 20 0 EHADRM C[C@@H]1CC[C@H](Nc2cccc(CC(=O)[O-])c2)CN1C(=O)OC(C)(C)C ZINC001594327340 999258362 /nfs/dbraw/zinc/25/83/62/999258362.db2.gz WOOIZOKYRWPXEH-CJNGLKHVSA-N -1 0 348.443 3.514 20 0 EHADRM C[C@@H]1CCC[C@@H](CC(=O)Nc2sc3c(c2C(=O)[O-])CCOC3)C1 ZINC001594345428 999307222 /nfs/dbraw/zinc/30/72/22/999307222.db2.gz UYMFQQDMEBOYKV-GHMZBOCLSA-N -1 0 337.441 3.674 20 0 EHADRM COC1(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)CCCCCC1 ZINC001599067707 999309784 /nfs/dbraw/zinc/30/97/84/999309784.db2.gz GUHCOFJGLWVNOT-UHFFFAOYSA-N -1 0 343.782 3.855 20 0 EHADRM C[C@@H]1CCC[C@@H](NC(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)CC1 ZINC001594352210 999333097 /nfs/dbraw/zinc/33/30/97/999333097.db2.gz AACRNERBRFZVED-GHMZBOCLSA-N -1 0 339.461 3.596 20 0 EHADRM C[C@@H]1CCC[C@@H](NC(=O)NCCc2cc3ccc(C(=O)[O-])cc3o2)C1 ZINC001594352279 999333567 /nfs/dbraw/zinc/33/35/67/999333567.db2.gz CGLHNAJKLLDBSK-IUODEOHRSA-N -1 0 344.411 3.551 20 0 EHADRM C[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)CC1 ZINC001594352976 999337537 /nfs/dbraw/zinc/33/75/37/999337537.db2.gz XCOAQHMOLCXOMX-ZIAGYGMSSA-N -1 0 334.416 3.630 20 0 EHADRM C[C@H]1CCC[C@@H](OCC(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)C1 ZINC001594354921 999339869 /nfs/dbraw/zinc/33/98/69/999339869.db2.gz GJFBENCGYAHWSZ-DZGCQCFKSA-N -1 0 334.412 3.550 20 0 EHADRM C[C@H](NC(=O)N1CCc2c(cccc2C(=O)[O-])C1)[C@H]1CCC[C@H](C)C1 ZINC001594355475 999341598 /nfs/dbraw/zinc/34/15/98/999341598.db2.gz KXSUTDQGIHVYSM-KKUMJFAQSA-N -1 0 344.455 3.667 20 0 EHADRM C[C@H](NC(=O)N1CCc2c(cccc2C(=O)[O-])C1)[C@H]1CCC[C@@H](C)C1 ZINC001594355473 999341808 /nfs/dbraw/zinc/34/18/08/999341808.db2.gz KXSUTDQGIHVYSM-ILXRZTDVSA-N -1 0 344.455 3.667 20 0 EHADRM C[C@@H]1CCC[C@@H]1CC(=O)N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001594358075 999354534 /nfs/dbraw/zinc/35/45/34/999354534.db2.gz UFQODCGPNFQUHL-IXPVHAAZSA-N -1 0 343.345 3.774 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1cc(C(F)(F)F)cnc1C(=O)[O-] ZINC001594363266 999370798 /nfs/dbraw/zinc/37/07/98/999370798.db2.gz BUVONSKKXALCBF-NXEZZACHSA-N -1 0 344.333 3.954 20 0 EHADRM C[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001594363800 999373691 /nfs/dbraw/zinc/37/36/91/999373691.db2.gz LRTJOJRAMOLRHL-WMEZAQDKSA-N -1 0 343.467 3.892 20 0 EHADRM C[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001594366491 999385243 /nfs/dbraw/zinc/38/52/43/999385243.db2.gz QHTUWTFSLSSXPY-PRHODGIISA-N -1 0 328.771 3.878 20 0 EHADRM C[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001594367596 999389556 /nfs/dbraw/zinc/38/95/56/999389556.db2.gz VSAMCDJSZKYTTH-PRHODGIISA-N -1 0 328.771 3.878 20 0 EHADRM C[C@H]1CCCN(C(=O)/C=C\c2cc(C(=O)[O-])co2)c2ccccc21 ZINC001594377649 999423103 /nfs/dbraw/zinc/42/31/03/999423103.db2.gz AXRXZYIQHHUWGK-YXVBKTCISA-N -1 0 325.364 3.922 20 0 EHADRM C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)[C@@H](C(=O)[O-])C1 ZINC001594396115 999492548 /nfs/dbraw/zinc/49/25/48/999492548.db2.gz UUPVKWLBTHNALR-VUKOWNLVSA-N -1 0 337.419 3.655 20 0 EHADRM C[C@H]1CCN(C(=O)Cc2cccc(C(=O)[O-])c2)c2ccccc2S1 ZINC001594402097 999505694 /nfs/dbraw/zinc/50/56/94/999505694.db2.gz OSLIHVXXNNNEQS-ZDUSSCGKSA-N -1 0 341.432 3.845 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)C[C@H]1C ZINC001594402781 999509558 /nfs/dbraw/zinc/50/95/58/999509558.db2.gz INRUMDKCMAXVSV-DTWKUNHWSA-N -1 0 328.771 3.687 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CC1(C)C ZINC001594403004 999510818 /nfs/dbraw/zinc/51/08/18/999510818.db2.gz NWIGFUPMFAOJJQ-VIFPVBQESA-N -1 0 326.343 3.563 20 0 EHADRM C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1Nc1cccc(C(=O)[O-])c1 ZINC001594407322 999526965 /nfs/dbraw/zinc/52/69/65/999526965.db2.gz SEAORXUHFGGVNY-BBRMVZONSA-N -1 0 348.443 3.832 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc3cc(C(C)(C)C)ccc3[nH]2)[C@H](C(=O)[O-])C1 ZINC001594409478 999529925 /nfs/dbraw/zinc/52/99/25/999529925.db2.gz GIHXUDMVZATYMM-PXAZEXFGSA-N -1 0 342.439 3.791 20 0 EHADRM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001594445426 999636928 /nfs/dbraw/zinc/63/69/28/999636928.db2.gz JGLFSCOBFUOTCB-MEDUHNTESA-N -1 0 344.436 3.569 20 0 EHADRM C[C@H]1CCc2sc(C(=O)NCc3ccc(C(=O)[O-])s3)cc2C1 ZINC001594450738 999648156 /nfs/dbraw/zinc/64/81/56/999648156.db2.gz JVPKMJIXTUUBKY-VIFPVBQESA-N -1 0 335.450 3.563 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655577214 1016401867 /nfs/dbraw/zinc/40/18/67/1016401867.db2.gz YDXMUWJKOGVUSP-XYVMCAHJSA-N -1 0 345.483 3.815 20 0 EHADRM C[C@@H](NC(=O)[C@@H]1CCSc2ccccc21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655579441 1016435685 /nfs/dbraw/zinc/43/56/85/1016435685.db2.gz POSMLYFIUXFEHR-REBRKWNGSA-N -1 0 347.480 3.518 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3[C@@H](C)CC[C@@H]3C)n2)c1 ZINC000119293422 1016505517 /nfs/dbraw/zinc/50/55/17/1016505517.db2.gz PPYWJPKGAQKIFL-KBPBESRZSA-N -1 0 327.428 3.714 20 0 EHADRM O=S(=O)([N-]c1ccccc1C(F)(F)F)c1ccc(Cl)nc1 ZINC000006858687 1016516424 /nfs/dbraw/zinc/51/64/24/1016516424.db2.gz BTAWOJGYIQACNN-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM C[C@@H]1C[C@@H](C)[C@@H](C(=O)Nc2cc(Cl)cc(Br)c2[O-])O1 ZINC000407962864 1016513182 /nfs/dbraw/zinc/51/31/82/1016513182.db2.gz FZBSHDVEYIIVDK-QHMRUWFYSA-N -1 0 348.624 3.560 20 0 EHADRM CCCOc1ccc(C(=O)[O-])cc1NCc1ccnn1CC(C)C ZINC000647646790 1016584924 /nfs/dbraw/zinc/58/49/24/1016584924.db2.gz OAQVQJAIUTWWEE-UHFFFAOYSA-N -1 0 331.416 3.638 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCC[C@H]1c1cccs1)CC(=O)[O-] ZINC000659418209 1016675899 /nfs/dbraw/zinc/67/58/99/1016675899.db2.gz GPCGABUKARKVNG-KBPBESRZSA-N -1 0 338.473 3.732 20 0 EHADRM Cc1ccc(C(C)C)cc1OCC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000236626865 1016686187 /nfs/dbraw/zinc/68/61/87/1016686187.db2.gz FFYBXGRGNOBRQT-INIZCTEOSA-N -1 0 347.455 3.601 20 0 EHADRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(-c2ccccc2)cc1F ZINC000031721617 1016787823 /nfs/dbraw/zinc/78/78/23/1016787823.db2.gz ODSBIZKLISHMSK-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2cc(F)c([O-])c(F)c2)C1 ZINC000180042240 1016885582 /nfs/dbraw/zinc/88/55/82/1016885582.db2.gz VZYUCDWMHGAZHJ-OCCSQVGLSA-N -1 0 331.362 3.997 20 0 EHADRM Cc1ccc(CNC(=O)c2cc(F)c([O-])c(F)c2)c(OCC2CC2)c1 ZINC000180146461 1016892659 /nfs/dbraw/zinc/89/26/59/1016892659.db2.gz FQKCFRAVFBSWQG-UHFFFAOYSA-N -1 0 347.361 3.698 20 0 EHADRM C[C@H](NC(=O)c1csc2ccccc12)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655582931 1016929002 /nfs/dbraw/zinc/92/90/02/1016929002.db2.gz SYUYYKJOICOLSM-LEWSCRJBSA-N -1 0 331.437 3.767 20 0 EHADRM COc1ccc2oc(C(=O)N3CCCC[C@H]3CCC(=O)[O-])c(C)c2c1 ZINC000237307329 1016968658 /nfs/dbraw/zinc/96/86/58/1016968658.db2.gz LNRCZNIZBLZBFH-ZDUSSCGKSA-N -1 0 345.395 3.609 20 0 EHADRM CC[C@@H](CSc1ccccc1)NC(=O)C1CCC(C(=O)[O-])CC1 ZINC000659758551 1016978526 /nfs/dbraw/zinc/97/85/26/1016978526.db2.gz FVVFLDSNMKRHHE-NRXISQOPSA-N -1 0 335.469 3.565 20 0 EHADRM CC[C@H](c1ccccc1)N(CC)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000659752872 1016979252 /nfs/dbraw/zinc/97/92/52/1016979252.db2.gz GXKYXSNSJVSAIR-GOSISDBHSA-N -1 0 341.407 3.763 20 0 EHADRM Cc1c(CSC(C)C)cccc1NC(=O)c1ccnc(C(=O)[O-])c1 ZINC000236616505 1016985398 /nfs/dbraw/zinc/98/53/98/1016985398.db2.gz QZANDRWUKDZQFF-UHFFFAOYSA-N -1 0 344.436 3.982 20 0 EHADRM Cc1nc(-c2cccc(C(=O)N(CC(=O)[O-])CC(C)(C)C)c2)cs1 ZINC000659783690 1017011810 /nfs/dbraw/zinc/01/18/10/1017011810.db2.gz XAZVUMVPUSXQPN-UHFFFAOYSA-N -1 0 346.452 3.691 20 0 EHADRM CC(C)(C)[C@@H]1CCN(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)C1 ZINC000414611679 1017025206 /nfs/dbraw/zinc/02/52/06/1017025206.db2.gz CINPRBDAJNEXON-SJORKVTESA-N -1 0 346.471 3.540 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)c1[nH]c2ccc(Cl)cc2c1Cl)C1CC1 ZINC000262618905 1032165141 /nfs/dbraw/zinc/16/51/41/1032165141.db2.gz MKYHUFNXKHOEGG-SSDOTTSWSA-N -1 0 341.194 3.552 20 0 EHADRM Cc1cc(-c2noc([C@@H]3CNc4ccccc43)n2)cc(C)c1CC(=O)[O-] ZINC000904741454 1032225351 /nfs/dbraw/zinc/22/53/51/1032225351.db2.gz KQXSHZPXRRAJGS-MRXNPFEDSA-N -1 0 349.390 3.538 20 0 EHADRM CCN(c1ccc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1)C(C)C ZINC000449136586 1032231170 /nfs/dbraw/zinc/23/11/70/1032231170.db2.gz BNZADHDRAYXFHB-KRWDZBQOSA-N -1 0 346.471 3.781 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)N(C)C[C@H](C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000414623395 1017074457 /nfs/dbraw/zinc/07/44/57/1017074457.db2.gz HWODSYHTSJYUTQ-HUBLWGQQSA-N -1 0 340.851 3.789 20 0 EHADRM COc1c(Cl)cc(NC(=O)C2(C(=O)[O-])CCCC2)cc1Cl ZINC000568752887 1032266622 /nfs/dbraw/zinc/26/66/22/1032266622.db2.gz ULILFTREQFTHON-UHFFFAOYSA-N -1 0 332.183 3.586 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1ncc(F)cc1Br ZINC001211616578 1032282194 /nfs/dbraw/zinc/28/21/94/1032282194.db2.gz PFIFBLCEDPQKTC-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)c2cc3c(cc2O)OCO3)c1 ZINC000436718263 1032293529 /nfs/dbraw/zinc/29/35/29/1032293529.db2.gz ZCIMAZVISGWELN-NSHDSACASA-N -1 0 329.352 3.551 20 0 EHADRM Cc1cc([C@H](C)N(C)Cc2nc(-c3cccs3)no2)oc1C(=O)[O-] ZINC000568770062 1032312250 /nfs/dbraw/zinc/31/22/50/1032312250.db2.gz QEMUYQJVAQUGDL-JTQLQIEISA-N -1 0 347.396 3.591 20 0 EHADRM CC(C)c1ccccc1NC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000905015741 1032317685 /nfs/dbraw/zinc/31/76/85/1032317685.db2.gz NHEMAGYZMXYHAF-QGZVFWFLSA-N -1 0 344.386 3.767 20 0 EHADRM C[C@@H]1CC[C@@H](c2nc(=O)c3snc(-c4ccc(F)cc4)c3[n-]2)O1 ZINC000905031472 1032330259 /nfs/dbraw/zinc/33/02/59/1032330259.db2.gz IHKDGYMGNRMJEB-KCJUWKMLSA-N -1 0 331.372 3.838 20 0 EHADRM COCC1(Cc2nc(=O)c3snc(-c4ccc(F)cc4)c3[n-]2)CC1 ZINC000905031542 1032330371 /nfs/dbraw/zinc/33/03/71/1032330371.db2.gz KSEBYYJQBINHNI-UHFFFAOYSA-N -1 0 345.399 3.567 20 0 EHADRM Cc1cc(Cl)cnc1[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000461214650 1032332016 /nfs/dbraw/zinc/33/20/16/1032332016.db2.gz YTEKIBJDKXHCKL-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM O=C([O-])CC1(CC(=O)NCC2C[C@H]3CC[C@@H](C2)S3)CCCCC1 ZINC000905126968 1032357148 /nfs/dbraw/zinc/35/71/48/1032357148.db2.gz JRALFOAINCGMSW-GOOCMWNKSA-N -1 0 339.501 3.592 20 0 EHADRM COCC[C@H](N=c1[n-]c(-c2ccc(C)cc2)no1)c1ccc(C)o1 ZINC000485192797 1032383916 /nfs/dbraw/zinc/38/39/16/1032383916.db2.gz BQUWRBKQLMXWJT-HNNXBMFYSA-N -1 0 327.384 3.558 20 0 EHADRM CN(Cc1ccccn1)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000081944004 1032390217 /nfs/dbraw/zinc/39/02/17/1032390217.db2.gz CKNCRZAGUIYCSH-UHFFFAOYSA-N -1 0 326.783 3.866 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(C(=O)C2CCCCC2)CC1 ZINC000262963759 1032404887 /nfs/dbraw/zinc/40/48/87/1032404887.db2.gz JJCWHLZWKTWSPU-UHFFFAOYSA-N -1 0 329.440 3.746 20 0 EHADRM CCSc1cccc(F)c1NC(=O)NC(C)(C)CCC(=O)[O-] ZINC000262968677 1032404933 /nfs/dbraw/zinc/40/49/33/1032404933.db2.gz ABCSRYLSRVTHFV-UHFFFAOYSA-N -1 0 328.409 3.703 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)/C=C\c2ccccc2Cl)c2ccccc21 ZINC000321207527 1032412781 /nfs/dbraw/zinc/41/27/81/1032412781.db2.gz VZDIMOBTJOLGKJ-CFYYFVFUSA-N -1 0 327.767 3.568 20 0 EHADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000263085982 1032433868 /nfs/dbraw/zinc/43/38/68/1032433868.db2.gz DFMKPBWHZXKWOQ-XJKSGUPXSA-N -1 0 349.858 3.765 20 0 EHADRM Cc1ccc2cccc(S(=O)(=O)[N-]c3ccc(C)c(O)c3C)c2n1 ZINC000084920232 1032467685 /nfs/dbraw/zinc/46/76/85/1032467685.db2.gz OWTZVJUAZWNDKC-UHFFFAOYSA-N -1 0 342.420 3.666 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)Nc1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000601988753 1032583014 /nfs/dbraw/zinc/58/30/14/1032583014.db2.gz VJBYMOZTFAFMQO-NWDGAFQWSA-N -1 0 337.441 3.541 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)Nc1cccc2c1ccn2C(F)F)C(=O)[O-] ZINC000601993309 1032584564 /nfs/dbraw/zinc/58/45/64/1032584564.db2.gz NDLUJRJZVQJRGH-DTWKUNHWSA-N -1 0 342.367 3.570 20 0 EHADRM CC(C)Nc1ccc(Cl)cc1NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-] ZINC000602003431 1032589096 /nfs/dbraw/zinc/58/90/96/1032589096.db2.gz HOYQJFXIVSBZJR-NXEZZACHSA-N -1 0 344.864 3.694 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)N(Cc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000602001134 1032589938 /nfs/dbraw/zinc/58/99/38/1032589938.db2.gz SDRBNPDZZIDIEF-GJZGRUSLSA-N -1 0 343.448 3.815 20 0 EHADRM CC(C)[C@@H]1C[C@H](NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-])c2ccccc21 ZINC000602007635 1032592463 /nfs/dbraw/zinc/59/24/63/1032592463.db2.gz JSDHXJDVZJGUCU-MPTQWLOMSA-N -1 0 335.469 3.582 20 0 EHADRM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)cc1 ZINC000091019212 1032617512 /nfs/dbraw/zinc/61/75/12/1032617512.db2.gz ALBNVENLVLHSBS-UHFFFAOYSA-N -1 0 341.816 3.634 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)sc1C ZINC000091018830 1032618612 /nfs/dbraw/zinc/61/86/12/1032618612.db2.gz RTRKSTZGPGTSQW-UHFFFAOYSA-N -1 0 339.467 3.617 20 0 EHADRM CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1ccc(C)c(F)c1 ZINC000592975550 1032619070 /nfs/dbraw/zinc/61/90/70/1032619070.db2.gz YPPQATGXIDEMCB-UHFFFAOYSA-N -1 0 347.415 3.695 20 0 EHADRM CCCN(CC)C(=O)N=c1[n-]nc([C@H](CC)c2ccccc2)s1 ZINC000592937896 1032624709 /nfs/dbraw/zinc/62/47/09/1032624709.db2.gz KTOMXJLXRFBHQN-CQSZACIVSA-N -1 0 332.473 3.766 20 0 EHADRM C[C@@H](NC(=O)C[C@@]1(C(=O)[O-])CCSC1)c1cc2ccccc2s1 ZINC000592983333 1032652386 /nfs/dbraw/zinc/65/23/86/1032652386.db2.gz XFNTUNQFZPIASS-DIFFPNOSSA-N -1 0 349.477 3.677 20 0 EHADRM Cc1c(F)cc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])cc1F ZINC001210108177 1017126174 /nfs/dbraw/zinc/12/61/74/1017126174.db2.gz FAXXYXPEVLCHSB-UHFFFAOYSA-N -1 0 333.743 3.917 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(Cc2ccc(Br)cc2Cl)C1 ZINC000133686463 1017142936 /nfs/dbraw/zinc/14/29/36/1017142936.db2.gz NQLZICBDHVFJGS-CQSZACIVSA-N -1 0 346.652 3.789 20 0 EHADRM CCOCc1cccc(NC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000574068005 1032688355 /nfs/dbraw/zinc/68/83/55/1032688355.db2.gz XYBCGFRCFASQDY-KRWDZBQOSA-N -1 0 342.395 3.513 20 0 EHADRM CCc1cnccc1C(=O)Nc1cc(C)cc(Br)c1O ZINC000182930571 1017218563 /nfs/dbraw/zinc/21/85/63/1017218563.db2.gz HIPBMEJWHIPWQC-UHFFFAOYSA-N -1 0 335.201 3.673 20 0 EHADRM Cc1ccc([C@H]([N-]S(=O)(=O)Cc2ccccc2C)C(F)(F)F)o1 ZINC000655660767 1017350808 /nfs/dbraw/zinc/35/08/08/1017350808.db2.gz UPQFOLRFHFJAOL-AWEZNQCLSA-N -1 0 347.358 3.619 20 0 EHADRM O=C(Nc1cc(Br)cc(Cl)c1[O-])c1nccs1 ZINC000683563775 1017396820 /nfs/dbraw/zinc/39/68/20/1017396820.db2.gz HPAXQRPJZUGNSN-UHFFFAOYSA-N -1 0 333.594 3.517 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)nc1 ZINC000238026647 1017488885 /nfs/dbraw/zinc/48/88/85/1017488885.db2.gz NABNNIWOCGBEOL-UHFFFAOYSA-N -1 0 330.343 3.603 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCc1cc2ccccc2o1)C1CCCCC1 ZINC000537403438 1032704573 /nfs/dbraw/zinc/70/45/73/1032704573.db2.gz MTTNGLVISRNWTM-KRWDZBQOSA-N -1 0 343.423 3.905 20 0 EHADRM O=C([O-])CC1(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CCC1 ZINC000579952783 1017729180 /nfs/dbraw/zinc/72/91/80/1017729180.db2.gz PGQSPBMVQMVHBQ-UHFFFAOYSA-N -1 0 335.709 3.942 20 0 EHADRM Cc1nc2ccc(C[NH2+][C@H](CC(=O)[O-])c3cccs3)cc2s1 ZINC000669473029 1032723264 /nfs/dbraw/zinc/72/32/64/1032723264.db2.gz VFIUQOWRDGBOBE-CYBMUJFWSA-N -1 0 332.450 3.972 20 0 EHADRM Cc1cc(C)cc([C@@H](C)NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000655867910 1017824638 /nfs/dbraw/zinc/82/46/38/1017824638.db2.gz MZFBBVMWDQIURQ-YQFWSFKMSA-N -1 0 346.471 3.799 20 0 EHADRM C[C@H](CNC(=O)N([C@@H](C)c1ccc2ccccc2c1)C1CC1)C(=O)[O-] ZINC000655886067 1017854919 /nfs/dbraw/zinc/85/49/19/1017854919.db2.gz VRXBFNJYWACVRW-KGLIPLIRSA-N -1 0 340.423 3.796 20 0 EHADRM C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655884308 1017858064 /nfs/dbraw/zinc/85/80/64/1017858064.db2.gz FPWUPHNYBPJCCB-LSDHHAIUSA-N -1 0 340.423 3.777 20 0 EHADRM CC(C)n1cc(-c2ccc(NC(=O)C(C)(C)C)nc2)cc1C(=O)[O-] ZINC000579972749 1017921189 /nfs/dbraw/zinc/92/11/89/1017921189.db2.gz IZYNXJOVCHNRAS-UHFFFAOYSA-N -1 0 329.400 3.814 20 0 EHADRM CCSc1cccc(CN=c2[n-]nc(Cc3ccccc3F)o2)c1 ZINC000471479182 1018134507 /nfs/dbraw/zinc/13/45/07/1018134507.db2.gz DQDCPVGILISIHL-UHFFFAOYSA-N -1 0 343.427 3.946 20 0 EHADRM C[C@H]1c2c(F)cccc2CCN1C(=O)N=c1[n-]nc(C(C)(C)C)s1 ZINC000606557426 1032751045 /nfs/dbraw/zinc/75/10/45/1032751045.db2.gz TYPAUPGAXMGQKS-JTQLQIEISA-N -1 0 348.447 3.548 20 0 EHADRM CCCCc1cc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)n[nH]1 ZINC000471494812 1018281214 /nfs/dbraw/zinc/28/12/14/1018281214.db2.gz DYILNLDRXFOCAV-UHFFFAOYSA-N -1 0 348.255 3.860 20 0 EHADRM O=C(Nc1ccc(F)cc1OCC(F)(F)F)c1c([O-])cccc1F ZINC000124509151 1018352219 /nfs/dbraw/zinc/35/22/19/1018352219.db2.gz KZJRAZRBAYYMTK-UHFFFAOYSA-N -1 0 347.239 3.864 20 0 EHADRM CSc1cc2c(cc1CNc1ccc(F)c(C(=O)[O-])c1)OCCO2 ZINC000325496163 1032767791 /nfs/dbraw/zinc/76/77/91/1032767791.db2.gz FCVLYORGZBABOW-UHFFFAOYSA-N -1 0 349.383 3.629 20 0 EHADRM Cc1cc(NC(=O)CC2(C(=O)[O-])CCCC2)ccc1Br ZINC000013252530 1018445223 /nfs/dbraw/zinc/44/52/23/1018445223.db2.gz LSFBHJKMCRVIRD-UHFFFAOYSA-N -1 0 340.217 3.731 20 0 EHADRM Cc1nc(N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)ccc1Br ZINC000656091908 1018523951 /nfs/dbraw/zinc/52/39/51/1018523951.db2.gz JZDJVQAMVPIDFN-INTQDDNPSA-N -1 0 341.249 3.700 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2ccc3cc[nH]c(=O)c3c2)CCCCC1 ZINC000580184622 1018757126 /nfs/dbraw/zinc/75/71/26/1018757126.db2.gz LRCLSMHSZNBDFG-UHFFFAOYSA-N -1 0 342.395 3.694 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)NC[C@]1(Cc2ccccc2)C=CCCC1 ZINC000630314562 1018875100 /nfs/dbraw/zinc/87/51/00/1018875100.db2.gz UCDQEXJIOQGRJZ-OXQOHEQNSA-N -1 0 329.440 3.573 20 0 EHADRM Cc1cc(S(=O)(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)sc1Cl ZINC000433465086 1018897658 /nfs/dbraw/zinc/89/76/58/1018897658.db2.gz YXYCPFHDBPSSNC-NWDGAFQWSA-N -1 0 345.848 3.683 20 0 EHADRM Cc1c2ccccc2nc(N(C)C[C@@H](C)c2nccs2)c1C(=O)[O-] ZINC000580316169 1019010899 /nfs/dbraw/zinc/01/08/99/1019010899.db2.gz XPILNOHNJCWZIJ-LLVKDONJSA-N -1 0 341.436 3.938 20 0 EHADRM CCc1ccc(O)c([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)c1 ZINC000433525796 1019065083 /nfs/dbraw/zinc/06/50/83/1019065083.db2.gz RIFPJCRURGFODS-UHFFFAOYSA-N -1 0 347.436 3.594 20 0 EHADRM COC(=O)c1cc(Br)cnc1Nc1cccc([S-])c1 ZINC001210945205 1019095528 /nfs/dbraw/zinc/09/55/28/1019095528.db2.gz HCUDRXFRKFPHIN-UHFFFAOYSA-N -1 0 339.214 3.663 20 0 EHADRM CC(C)CN(Cc1ccccc1F)C(=O)N=c1[n-]nc(C2CC2)s1 ZINC000549928593 1019212804 /nfs/dbraw/zinc/21/28/04/1019212804.db2.gz VHGLNAVPRYFNTA-UHFFFAOYSA-N -1 0 348.447 3.667 20 0 EHADRM Cc1ccc2[nH]ccc2c1NC1([P@@](=O)([O-])O)Cc2ccccc2C1 ZINC001167936179 1019216873 /nfs/dbraw/zinc/21/68/73/1019216873.db2.gz XERCVYMDEMSOQG-UHFFFAOYSA-N -1 0 342.335 3.561 20 0 EHADRM CCCc1nc(=NC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)s[n-]1 ZINC000580380727 1019227830 /nfs/dbraw/zinc/22/78/30/1019227830.db2.gz YSZUGHAZLULFDQ-CYBMUJFWSA-N -1 0 344.484 3.745 20 0 EHADRM O=C([O-])[C@H]1CCCCCN1C(=O)Nc1ncc(-c2ccccc2)s1 ZINC000683920722 1019240962 /nfs/dbraw/zinc/24/09/62/1019240962.db2.gz HWQHWBMRBISYPC-CYBMUJFWSA-N -1 0 345.424 3.671 20 0 EHADRM Cc1ccc(C2(CNC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])CCC2)cc1C ZINC000683922052 1019248261 /nfs/dbraw/zinc/24/82/61/1019248261.db2.gz JYDHHKOEDIVOGZ-ROUUACIJSA-N -1 0 341.451 3.508 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NCc1cccc2c1OCCCO2 ZINC000340691531 1019387929 /nfs/dbraw/zinc/38/79/29/1019387929.db2.gz PTSXQYVQBIAXOR-UHFFFAOYSA-N -1 0 327.380 3.775 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000263061311 1019435120 /nfs/dbraw/zinc/43/51/20/1019435120.db2.gz FOZHPZUWMTXLFE-BDAKNGLRSA-N -1 0 331.199 3.568 20 0 EHADRM CO[C@H](C)c1nc(=NC[C@H](C)c2ccc(C(F)(F)F)cc2)s[n-]1 ZINC000509924391 1019448609 /nfs/dbraw/zinc/44/86/09/1019448609.db2.gz IERWMQSFPONZLG-VHSXEESVSA-N -1 0 345.390 3.902 20 0 EHADRM CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)[C@@H]2CC[C@H]2C(=O)[O-])cc1 ZINC000262131264 1019543719 /nfs/dbraw/zinc/54/37/19/1019543719.db2.gz NZMIPGLEUHXULU-ZACQAIPSSA-N -1 0 329.440 3.758 20 0 EHADRM CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)[C@@H]2CC[C@@H]2C(=O)[O-])cc1 ZINC000262131258 1019544515 /nfs/dbraw/zinc/54/45/15/1019544515.db2.gz NZMIPGLEUHXULU-IKGGRYGDSA-N -1 0 329.440 3.758 20 0 EHADRM Cc1cc(C(=O)NC[C@@H](C)CC(=O)[O-])c(C)n1[C@@H](C)c1ccccc1 ZINC000262214771 1019565576 /nfs/dbraw/zinc/56/55/76/1019565576.db2.gz LLTBFYVUEKNESO-ZFWWWQNUSA-N -1 0 342.439 3.555 20 0 EHADRM COc1ccc2cccc(CC(=O)NCCCCCCC(=O)[O-])c2c1 ZINC000262803437 1019734961 /nfs/dbraw/zinc/73/49/61/1019734961.db2.gz RZXWBEHVTGZGSB-UHFFFAOYSA-N -1 0 343.423 3.542 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(SC(F)F)cc2)C1 ZINC000262851405 1019747066 /nfs/dbraw/zinc/74/70/66/1019747066.db2.gz HWOQSZYFXUQKNE-INIZCTEOSA-N -1 0 343.395 3.574 20 0 EHADRM CC[C@@H](CC(=O)N1CC[C@](C(=O)[O-])(C(C)C)C1)c1ccc(OC)cc1 ZINC000262878979 1019755813 /nfs/dbraw/zinc/75/58/13/1019755813.db2.gz GQVARYBDMGVAKQ-MGPUTAFESA-N -1 0 347.455 3.538 20 0 EHADRM CC(C)(CCNC(=O)c1cc(-c2ccccn2)ccc1Cl)C(=O)[O-] ZINC000262889737 1019757762 /nfs/dbraw/zinc/75/77/62/1019757762.db2.gz CVZNDZMRDJQHGO-UHFFFAOYSA-N -1 0 346.814 3.633 20 0 EHADRM C[C@H]1CN(C(=O)CCCc2ccc3ccccc3c2)CC[C@@H]1C(=O)[O-] ZINC000262960410 1019777002 /nfs/dbraw/zinc/77/70/02/1019777002.db2.gz LYWAPSHWBYZODH-KXBFYZLASA-N -1 0 339.435 3.732 20 0 EHADRM CC(C)(O)[C@@H]1CCCN1C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000092929734 1032854738 /nfs/dbraw/zinc/85/47/38/1032854738.db2.gz KUAWPTVRHJXJEE-HNNXBMFYSA-N -1 0 333.815 3.574 20 0 EHADRM Cc1ccc(SC2CCCC2)c(C(=O)N[C@H](C)[C@H](C)C(=O)[O-])c1 ZINC000263403174 1019898416 /nfs/dbraw/zinc/89/84/16/1019898416.db2.gz FPKTWNRIFNTUDC-QWHCGFSZSA-N -1 0 335.469 3.869 20 0 EHADRM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000263525865 1019923721 /nfs/dbraw/zinc/92/37/21/1019923721.db2.gz JSQGZFDMNLYJQS-IEBDPFPHSA-N -1 0 330.211 3.624 20 0 EHADRM O=S(=O)([N-]c1cccc(Cl)c1)c1cccnc1C(F)(F)F ZINC000340772817 1019968030 /nfs/dbraw/zinc/96/80/30/1019968030.db2.gz DXWCWFVIGQVMFS-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM CC(=O)c1cccc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c1O ZINC000580775322 1020002851 /nfs/dbraw/zinc/00/28/51/1020002851.db2.gz CXVOFWLVDFFRIR-QWRGUYRKSA-N -1 0 329.318 3.902 20 0 EHADRM Cc1csc(C(C#N)=C([O-])COC(=O)CCC2CCCCC2)n1 ZINC000060793166 1020183258 /nfs/dbraw/zinc/18/32/58/1020183258.db2.gz IQZVFBPSWSJEPL-AWEZNQCLSA-N -1 0 334.441 3.532 20 0 EHADRM CCC[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000728310606 1020226533 /nfs/dbraw/zinc/22/65/33/1020226533.db2.gz OURCHIMTUWHLLM-FZMZJTMJSA-N -1 0 345.468 3.713 20 0 EHADRM CC(C)CC[C@H]1CCCCN1C(=O)N=c1nc2cc(Cl)ccn2[n-]1 ZINC000580921227 1020236961 /nfs/dbraw/zinc/23/69/61/1020236961.db2.gz WFRAUXXVMJAGQT-CQSZACIVSA-N -1 0 349.866 3.627 20 0 EHADRM CC[C@]1(C)C[C@H]1C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000455937145 1032885887 /nfs/dbraw/zinc/88/58/87/1032885887.db2.gz UZQBRSHEQZAKRO-SLEUVZQESA-N -1 0 329.318 3.541 20 0 EHADRM Cc1cccc(CSc2n[n-]c(=NCc3ccccc3)s2)n1 ZINC000345404088 1020248527 /nfs/dbraw/zinc/24/85/27/1020248527.db2.gz LSFNAGQHLGNPJU-UHFFFAOYSA-N -1 0 328.466 3.568 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000581016723 1020360067 /nfs/dbraw/zinc/36/00/67/1020360067.db2.gz CEIZODSPFYNOHY-QGZVFWFLSA-N -1 0 349.814 3.767 20 0 EHADRM CCc1ccc([C@@H]2CN(Cc3ccc(C(=O)[O-])cc3F)CCO2)cc1 ZINC000581076342 1020404581 /nfs/dbraw/zinc/40/45/81/1020404581.db2.gz BWHLLPODERFAEN-IBGZPJMESA-N -1 0 343.398 3.660 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1c[nH]nc1-c1ccc(F)cc1 ZINC000345666740 1020418309 /nfs/dbraw/zinc/41/83/09/1020418309.db2.gz YCOWTIFBYFLFAJ-UHFFFAOYSA-N -1 0 349.724 3.966 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1ccncc1Br ZINC000345662670 1020433452 /nfs/dbraw/zinc/43/34/52/1020433452.db2.gz SXSAKBINGXXXCM-UHFFFAOYSA-N -1 0 345.555 3.595 20 0 EHADRM CCOC(=O)c1ncc(Cl)cc1Nc1ccc(C(=O)[O-])cc1C ZINC001211620738 1032902129 /nfs/dbraw/zinc/90/21/29/1032902129.db2.gz DOQZFFTYAQQUQF-UHFFFAOYSA-N -1 0 334.759 3.662 20 0 EHADRM C[C@H](CC(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1)C(F)(F)F ZINC000625455503 1020535679 /nfs/dbraw/zinc/53/56/79/1020535679.db2.gz PJVITDKZASISTK-SSDOTTSWSA-N -1 0 349.765 3.807 20 0 EHADRM CCOc1ccc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)c(C)c1 ZINC000048382500 1020729355 /nfs/dbraw/zinc/72/93/55/1020729355.db2.gz OSHNXMKIMPYYFH-HXUWFJFHSA-N -1 0 341.407 3.765 20 0 EHADRM Cc1c(Cl)cc(NC(=O)N[C@@](C)(CCF)C(=O)[O-])cc1Cl ZINC000656505318 1020762000 /nfs/dbraw/zinc/76/20/00/1020762000.db2.gz BCOCXLVINWETQA-ZDUSSCGKSA-N -1 0 337.178 3.626 20 0 EHADRM CCOc1ccc(C[NH2+]Cc2cc(F)c(C(=O)[O-])c(F)c2)c(C)c1 ZINC000656567303 1020923828 /nfs/dbraw/zinc/92/38/28/1020923828.db2.gz LYRXAEMKURWCAZ-UHFFFAOYSA-N -1 0 335.350 3.660 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cc1O)c1ccc(C(F)F)cc1 ZINC000581450741 1020934795 /nfs/dbraw/zinc/93/47/95/1020934795.db2.gz WXVOOOOKJYMKFK-UHFFFAOYSA-N -1 0 333.743 3.784 20 0 EHADRM C[C@@H](c1ccccc1)[C@H](NCc1ncc(C(C)(C)C)s1)C(=O)[O-] ZINC000656570034 1020939699 /nfs/dbraw/zinc/93/96/99/1020939699.db2.gz VPXWYYQLFPRGIY-LRDDRELGSA-N -1 0 332.469 3.787 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)Nc2ccc3c(c2)C=CCCC3)CC1 ZINC000656605086 1021004582 /nfs/dbraw/zinc/00/45/82/1021004582.db2.gz OTVQYBBCOPDMQA-UHFFFAOYSA-N -1 0 328.412 3.755 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000581507582 1021028698 /nfs/dbraw/zinc/02/86/98/1021028698.db2.gz KDYACXDPSOMIFB-KRWDZBQOSA-N -1 0 346.427 3.617 20 0 EHADRM CC(C)c1cccnc1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000581553226 1021080814 /nfs/dbraw/zinc/08/08/14/1021080814.db2.gz HMDHMXMUPJPHPA-UHFFFAOYSA-N -1 0 328.796 3.798 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)CSc1n[n-]c(=S)s1 ZINC000176012397 1021161896 /nfs/dbraw/zinc/16/18/96/1021161896.db2.gz UMGFUVDHROAECH-GMTAPVOTSA-N -1 0 345.559 3.870 20 0 EHADRM O=S(=O)(CCc1ccccc1F)[N-]c1nc(C2CCC2)cs1 ZINC000656733819 1021228652 /nfs/dbraw/zinc/22/86/52/1021228652.db2.gz OGJZUQNGVSTUNZ-UHFFFAOYSA-N -1 0 340.445 3.534 20 0 EHADRM Cc1ccnc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c1C1CC1 ZINC000656739240 1021235202 /nfs/dbraw/zinc/23/52/02/1021235202.db2.gz XBBJNRGYEGWTAW-UHFFFAOYSA-N -1 0 346.452 3.855 20 0 EHADRM O=C(NCc1ccc(-c2ccco2)cc1F)c1cc(F)c([O-])c(F)c1 ZINC000436796954 1021240983 /nfs/dbraw/zinc/24/09/83/1021240983.db2.gz LMCPSDSMOISVCW-UHFFFAOYSA-N -1 0 347.292 4.000 20 0 EHADRM CC[C@@H](CO)N(Cc1ccccc1)C(=O)c1ccc(C(C)C)cc1O ZINC000436815768 1021242589 /nfs/dbraw/zinc/24/25/89/1021242589.db2.gz XXMRUFMHGBWJIY-SFHVURJKSA-N -1 0 341.451 3.929 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)CCCC1 ZINC000516281972 1021244810 /nfs/dbraw/zinc/24/48/10/1021244810.db2.gz FCUAVUVFXPVHEQ-IAGOWNOFSA-N -1 0 329.440 3.864 20 0 EHADRM CCOC(=O)c1ccc(NC(=O)CC2(CC(=O)[O-])CCCCC2)cc1 ZINC000032496972 1021246762 /nfs/dbraw/zinc/24/67/62/1021246762.db2.gz XYLSHZCYXFPQCP-UHFFFAOYSA-N -1 0 347.411 3.617 20 0 EHADRM COc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3[O-])n[nH]2)cc1 ZINC000436803084 1021249502 /nfs/dbraw/zinc/24/95/02/1021249502.db2.gz HVLYOMOXAXFRAZ-UHFFFAOYSA-N -1 0 343.770 3.697 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-])c1ccccc1Oc1ccccc1 ZINC000507428737 1021260272 /nfs/dbraw/zinc/26/02/72/1021260272.db2.gz ZWNXKQKXTTZVIT-XKQJLSEDSA-N -1 0 339.391 3.767 20 0 EHADRM C[C@@H](c1ncc(C(C)(C)C)o1)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC000656756323 1021276997 /nfs/dbraw/zinc/27/69/97/1021276997.db2.gz ASGWLMLAWHIFPN-AXFHLTTASA-N -1 0 348.365 3.618 20 0 EHADRM CSc1cccc(F)c1CNC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436827254 1021278087 /nfs/dbraw/zinc/27/80/87/1021278087.db2.gz NAKGNDOBADHPNJ-UHFFFAOYSA-N -1 0 343.782 3.976 20 0 EHADRM Cc1cc(S(=O)(=O)N[C@H]2C[C@H]2c2cccc(F)c2)sc1Cl ZINC000473857718 1021291046 /nfs/dbraw/zinc/29/10/46/1021291046.db2.gz ZBJQBLVDNHLXAU-RYUDHWBXSA-N -1 0 345.848 3.683 20 0 EHADRM CCCc1c(NC(=O)c2ccccc2O)cnn1-c1ccc(F)cc1 ZINC000436850495 1021293821 /nfs/dbraw/zinc/29/38/21/1021293821.db2.gz IDTBQCGQQWHLRX-UHFFFAOYSA-N -1 0 339.370 3.922 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)c2cc(F)cc(Br)c2[O-])o1 ZINC000436850198 1021294442 /nfs/dbraw/zinc/29/44/42/1021294442.db2.gz ZMPUMNGOTYYWGV-QMMMGPOBSA-N -1 0 342.164 3.686 20 0 EHADRM CC[C@]1(C)CCN(C(=O)c2cc(F)cc(Br)c2[O-])C1 ZINC000436859214 1021295558 /nfs/dbraw/zinc/29/55/58/1021295558.db2.gz RZAHAJDEOJZVAD-CQSZACIVSA-N -1 0 330.197 3.556 20 0 EHADRM O=C([O-])c1ccc2oc(/C=C/c3ccn(-c4ccccc4)n3)nc2c1 ZINC000439277104 1021312448 /nfs/dbraw/zinc/31/24/48/1021312448.db2.gz RSFURNNZLNIJBH-VQHVLOKHSA-N -1 0 331.331 3.882 20 0 EHADRM Cc1c(NC(=O)c2ccc(Cl)cc2[O-])cccc1NC(=O)N(C)C ZINC000436858270 1021321520 /nfs/dbraw/zinc/32/15/20/1021321520.db2.gz NBTAMDWODYSHBF-UHFFFAOYSA-N -1 0 347.802 3.700 20 0 EHADRM C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000436894700 1021323635 /nfs/dbraw/zinc/32/36/35/1021323635.db2.gz RQCBPNZEDKHYIM-LLVKDONJSA-N -1 0 347.798 3.525 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2c(C)nn(-c3ccccc3)c2C)c1 ZINC000436878807 1021328315 /nfs/dbraw/zinc/32/83/15/1021328315.db2.gz UWHZSBCCQXYZKD-UHFFFAOYSA-N -1 0 349.390 3.650 20 0 EHADRM C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1c([O-])cccc1F ZINC000436898906 1021363668 /nfs/dbraw/zinc/36/36/68/1021363668.db2.gz IBKMVIQNPWZVMY-ZBEGNZNMSA-N -1 0 349.789 3.787 20 0 EHADRM Oc1ccccc1-c1nc(Cc2ccc(Br)c(F)c2)no1 ZINC000436950216 1021391602 /nfs/dbraw/zinc/39/16/02/1021391602.db2.gz OGQUNQQFEWYJJR-UHFFFAOYSA-N -1 0 349.159 3.935 20 0 EHADRM [O-]c1ccc(Cl)cc1-c1nc(Cc2c[nH]c3ncccc23)no1 ZINC000436936319 1021397675 /nfs/dbraw/zinc/39/76/75/1021397675.db2.gz BBOGBSFKMGDEAG-UHFFFAOYSA-N -1 0 326.743 3.563 20 0 EHADRM O=C(Nc1ccnc(Sc2ccccn2)c1)c1c([O-])cccc1F ZINC000436968076 1021414244 /nfs/dbraw/zinc/41/42/44/1021414244.db2.gz SBSFPQQTVRMPHW-UHFFFAOYSA-N -1 0 341.367 3.725 20 0 EHADRM CCOc1cc(/C=C(/CC(=O)[O-])c2nc3ccccc3o2)ccc1O ZINC000436989337 1021443239 /nfs/dbraw/zinc/44/32/39/1021443239.db2.gz OGERAJMVMNYSSY-LCYFTJDESA-N -1 0 339.347 3.947 20 0 EHADRM CCCOc1ccc2c(c1)CCN(C(=O)c1c([O-])cccc1F)C2 ZINC000436990031 1021444359 /nfs/dbraw/zinc/44/43/59/1021444359.db2.gz QGOWNHLQVDHERE-UHFFFAOYSA-N -1 0 329.371 3.519 20 0 EHADRM Cc1cc(F)ccc1NC(=O)c1cc(F)cc(Br)c1[O-] ZINC000437007132 1021461972 /nfs/dbraw/zinc/46/19/72/1021461972.db2.gz ZHZLFVOMVBIQJM-UHFFFAOYSA-N -1 0 342.139 3.994 20 0 EHADRM O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1cc(F)c([O-])c(Cl)c1 ZINC000437006245 1021462095 /nfs/dbraw/zinc/46/20/95/1021462095.db2.gz QTYCBQAXNQDGID-MJHDQNEOSA-N -1 0 337.753 4.000 20 0 EHADRM CCSc1n[n-]c(=NC(=O)c2cc3sccc3s2)s1 ZINC000516475480 1021464497 /nfs/dbraw/zinc/46/44/97/1021464497.db2.gz GPIBYVDVSRNHDR-UHFFFAOYSA-N -1 0 327.481 3.601 20 0 EHADRM Cc1ccc(NC(=O)c2cc(F)cc(Br)c2[O-])c(F)c1 ZINC000437002116 1021472564 /nfs/dbraw/zinc/47/25/64/1021472564.db2.gz QUIYBQNQVFQAOA-UHFFFAOYSA-N -1 0 342.139 3.994 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)CCc2cc3ccccc3o2)c2ccccc21 ZINC000439713593 1021656360 /nfs/dbraw/zinc/65/63/60/1021656360.db2.gz VSSFRMAFQWDDTP-MRXNPFEDSA-N -1 0 335.359 3.580 20 0 EHADRM CCc1ccc(-c2nc(COCc3ccc(OC)cc3)no2)c(O)c1 ZINC000516683018 1021657398 /nfs/dbraw/zinc/65/73/98/1021657398.db2.gz VSGQVHXELHWNSF-UHFFFAOYSA-N -1 0 340.379 3.730 20 0 EHADRM CCCc1nc(C)c([N-]S(=O)(=O)c2cccc3ccoc32)s1 ZINC000516714910 1021685666 /nfs/dbraw/zinc/68/56/66/1021685666.db2.gz RALZDCCSTZBOEW-UHFFFAOYSA-N -1 0 336.438 3.951 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cn1 ZINC000437301213 1021715199 /nfs/dbraw/zinc/71/51/99/1021715199.db2.gz DJXATNSTUWBGAN-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cn2)cc1 ZINC000437337675 1021745108 /nfs/dbraw/zinc/74/51/08/1021745108.db2.gz OROVMOSIAMAIRR-UHFFFAOYSA-N -1 0 349.264 3.911 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ncc(C(C)(C)C)s2)s1 ZINC000437336325 1021745497 /nfs/dbraw/zinc/74/54/97/1021745497.db2.gz HBGFNDIGRJNSJT-UHFFFAOYSA-N -1 0 330.500 3.865 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)NCCCCC(=O)[O-] ZINC000669496486 1033002754 /nfs/dbraw/zinc/00/27/54/1033002754.db2.gz ZQZPBXZFXXNLAK-UHFFFAOYSA-N -1 0 328.796 3.505 20 0 EHADRM CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000437396741 1021794215 /nfs/dbraw/zinc/79/42/15/1021794215.db2.gz NMFOZYAMSVNUBJ-UHFFFAOYSA-N -1 0 347.415 3.695 20 0 EHADRM CC[C@@H](C(=O)N[C@H](CC(=O)[O-])C1CCCCC1)c1ccc(OC)cc1 ZINC000439904883 1021803416 /nfs/dbraw/zinc/80/34/16/1021803416.db2.gz STRBFRIHMBJVIN-QZTJIDSGSA-N -1 0 347.455 3.729 20 0 EHADRM CSc1cccc(NC(=O)N(CCc2ccccc2)CC(=O)[O-])c1 ZINC000519067166 1021826015 /nfs/dbraw/zinc/82/60/15/1021826015.db2.gz UUPHKJZLBXQRCQ-UHFFFAOYSA-N -1 0 344.436 3.570 20 0 EHADRM Cc1cccc(C)c1CC(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1 ZINC000439927358 1021831208 /nfs/dbraw/zinc/83/12/08/1021831208.db2.gz FMINMXQXIKARAQ-UHFFFAOYSA-N -1 0 336.391 3.524 20 0 EHADRM O=C(N[C@H]1CCOC2(CCCC2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000581833197 1021852138 /nfs/dbraw/zinc/85/21/38/1021852138.db2.gz FYXLALZNPADJQF-NSHDSACASA-N -1 0 343.345 3.633 20 0 EHADRM COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)[C@@H](C)C(=O)[O-])cc1 ZINC000516926720 1021859235 /nfs/dbraw/zinc/85/92/35/1021859235.db2.gz IMHNWPNKBRMARN-ZIAGYGMSSA-N -1 0 341.407 3.602 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)c1 ZINC000439976234 1021872913 /nfs/dbraw/zinc/87/29/13/1021872913.db2.gz DBRYMSDBFWJHCC-UHFFFAOYSA-N -1 0 331.368 3.794 20 0 EHADRM Cc1ccsc1CCCC(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000439989820 1021882304 /nfs/dbraw/zinc/88/23/04/1021882304.db2.gz SDQXONRRVLXMBA-UHFFFAOYSA-N -1 0 337.448 3.897 20 0 EHADRM Cc1cc(C)cc(C2(C(=O)[N-]S(=O)(=O)c3cccs3)CC2)c1 ZINC000048450259 1021954170 /nfs/dbraw/zinc/95/41/70/1021954170.db2.gz PPIFVHZDRBVYJB-UHFFFAOYSA-N -1 0 335.450 3.742 20 0 EHADRM Cc1ccc(CN(C)C(=O)c2cccc(Br)c2[O-])cc1 ZINC000519333599 1022018475 /nfs/dbraw/zinc/01/84/75/1022018475.db2.gz BNICFDSEUNPWGX-UHFFFAOYSA-N -1 0 334.213 3.735 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N[C@H]2C[C@@H]2Cc2ccccc2)s1 ZINC000437649662 1022019534 /nfs/dbraw/zinc/01/95/34/1022019534.db2.gz YUAIDXBSOBHPPM-GJZGRUSLSA-N -1 0 344.484 3.616 20 0 EHADRM O=S(=O)([N-]c1cc(F)ccc1SCC(F)F)c1ccco1 ZINC000437681389 1022051529 /nfs/dbraw/zinc/05/15/29/1022051529.db2.gz XBDOZZZZJOEYPZ-UHFFFAOYSA-N -1 0 337.344 3.577 20 0 EHADRM Cc1nc(CNCc2ccc(Oc3ccccc3)o2)ccc1C(=O)[O-] ZINC000426637345 1022114140 /nfs/dbraw/zinc/11/41/40/1022114140.db2.gz KVVJGMMVJPHMIT-UHFFFAOYSA-N -1 0 338.363 3.763 20 0 EHADRM COc1ccc(Cl)cc1NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000517239386 1022161160 /nfs/dbraw/zinc/16/11/60/1022161160.db2.gz TXEHQVPRMJONMB-UHFFFAOYSA-N -1 0 325.792 3.568 20 0 EHADRM CCCN(C(=O)NCc1ccc(Cl)cc1Cl)[C@@H](CC)C(=O)[O-] ZINC000517273024 1022189592 /nfs/dbraw/zinc/18/95/92/1022189592.db2.gz WQBLHLZXOBNGKR-ZDUSSCGKSA-N -1 0 347.242 3.778 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000187840895 1022254009 /nfs/dbraw/zinc/25/40/09/1022254009.db2.gz DCQDSVVAVDOKRA-UKRRQHHQSA-N -1 0 333.403 3.675 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)N1CCC[C@@H](CC(=O)[O-])C1)C(C)(C)C ZINC000517326657 1022259849 /nfs/dbraw/zinc/25/98/49/1022259849.db2.gz BHPYLRAARIHUIC-YJBOKZPZSA-N -1 0 346.471 3.979 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)CC3CCC3)n2)c1 ZINC000084390680 1022307367 /nfs/dbraw/zinc/30/73/67/1022307367.db2.gz OBKLUVJIMAEYDS-UHFFFAOYSA-N -1 0 327.428 3.573 20 0 EHADRM O=C([O-])c1ccccc1CC[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000426657494 1022358873 /nfs/dbraw/zinc/35/88/73/1022358873.db2.gz PJQJLSUMSKRGQL-UHFFFAOYSA-N -1 0 338.432 3.841 20 0 EHADRM C[C@@H](C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-])c1cccc(Cl)c1 ZINC000262034932 1022393581 /nfs/dbraw/zinc/39/35/81/1022393581.db2.gz BRJOMQDJKWCKIX-CJNGLKHVSA-N -1 0 345.826 3.503 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc(-c3nccs3)cc2)CCCC1 ZINC000319956478 1022428849 /nfs/dbraw/zinc/42/88/49/1022428849.db2.gz HTKIEOUNNYZZNU-UHFFFAOYSA-N -1 0 330.409 3.784 20 0 EHADRM CO[C@@H](C)c1nc(=Nc2ccc3c(c2)OC2(CCCCC2)O3)s[n-]1 ZINC000328820676 1022496864 /nfs/dbraw/zinc/49/68/64/1022496864.db2.gz QVCWIITWNJTMSG-NSHDSACASA-N -1 0 347.440 3.843 20 0 EHADRM CC(C)c1cc(Sc2n[n-]c(=NC3CCCCC3)s2)ncn1 ZINC000517639456 1022517436 /nfs/dbraw/zinc/51/74/36/1022517436.db2.gz AGTASVRGYBTCFI-UHFFFAOYSA-N -1 0 335.502 3.769 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc(Cl)c(Br)c2)CCC1 ZINC000261599433 1022529543 /nfs/dbraw/zinc/52/95/43/1022529543.db2.gz PQFVDMWCXVYVQT-UHFFFAOYSA-N -1 0 346.608 3.686 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655579274 1022532090 /nfs/dbraw/zinc/53/20/90/1022532090.db2.gz LZBRLQJIOOUQSI-HDEZJCGLSA-N -1 0 331.456 3.740 20 0 EHADRM O=C([O-])CC1(CC(=O)NC[C@@H]2CCCCC2(F)F)CCCCC1 ZINC000389753202 1033063789 /nfs/dbraw/zinc/06/37/89/1033063789.db2.gz VYAPDKBNXSVJKV-ZDUSSCGKSA-N -1 0 331.403 3.743 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N(C)[C@H](C)C2CCCCC2)s1 ZINC000330430743 1022583971 /nfs/dbraw/zinc/58/39/71/1022583971.db2.gz IJYZKOWAOQERST-SNVBAGLBSA-N -1 0 328.507 3.505 20 0 EHADRM CC[C@H]1CC[C@@H](C(=O)Nc2cc(Cl)cc(Br)c2[O-])O1 ZINC000330498116 1022596964 /nfs/dbraw/zinc/59/69/64/1022596964.db2.gz ZTNQXBNFKAXPPR-KWQFWETISA-N -1 0 348.624 3.704 20 0 EHADRM CC[C@@H](C)c1ccc([C@@H](NC(=O)CSCC(=O)[O-])C(C)C)cc1 ZINC000550201427 1022726509 /nfs/dbraw/zinc/72/65/09/1022726509.db2.gz OVVKGGAGZCWTLG-ACJLOTCBSA-N -1 0 337.485 3.831 20 0 EHADRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cn(C)nc2C(C)C)c(C)c1C ZINC000331087505 1022738959 /nfs/dbraw/zinc/73/89/59/1022738959.db2.gz QRROWHORSDITDS-UHFFFAOYSA-N -1 0 349.500 3.886 20 0 EHADRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1C ZINC000331118693 1022749580 /nfs/dbraw/zinc/74/95/80/1022749580.db2.gz WQOAAVIUHBAPFR-CQSZACIVSA-N -1 0 335.473 3.889 20 0 EHADRM CC(C)CN(C(=O)c1nn(-c2cccc(F)c2)cc1[O-])C1CCCC1 ZINC000550212174 1022764981 /nfs/dbraw/zinc/76/49/81/1022764981.db2.gz RDPMBXWKLNWLDG-UHFFFAOYSA-N -1 0 345.418 3.758 20 0 EHADRM Cc1c(C(F)(F)F)[n-][nH]c1=NC(=O)[C@H](C)CCc1ccccc1F ZINC000608120785 1022797072 /nfs/dbraw/zinc/79/70/72/1022797072.db2.gz VTVYOUTXXVACLY-SECBINFHSA-N -1 0 343.324 3.505 20 0 EHADRM CCCC(=O)Nc1cccc(NC(=O)CC2CCC(C(=O)[O-])CC2)c1 ZINC000517941101 1022868048 /nfs/dbraw/zinc/86/80/48/1022868048.db2.gz WYLRPCWSJFCRHS-UHFFFAOYSA-N -1 0 346.427 3.645 20 0 EHADRM Cc1cccc(CN(C)C(=O)c2cccc(Br)c2[O-])c1 ZINC000518048310 1022945993 /nfs/dbraw/zinc/94/59/93/1022945993.db2.gz AVBGRZRWKCQZOV-UHFFFAOYSA-N -1 0 334.213 3.735 20 0 EHADRM COc1ccc2oc(CN[C@H](C(=O)[O-])c3cccc(C)c3C)cc2c1 ZINC000426734991 1023003774 /nfs/dbraw/zinc/00/37/74/1023003774.db2.gz CMENCQMAMSTHHF-IBGZPJMESA-N -1 0 339.391 3.974 20 0 EHADRM CC[C@H](CN=c1nc([C@@H](C)OC)[n-]s1)Oc1ccccc1Cl ZINC000509549915 1023029118 /nfs/dbraw/zinc/02/91/18/1023029118.db2.gz UITYVNUEBACRMF-GHMZBOCLSA-N -1 0 341.864 3.590 20 0 EHADRM COc1ccc(C[C@@H](C)CNC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000089912298 1023042947 /nfs/dbraw/zinc/04/29/47/1023042947.db2.gz GJAVKBGIEGQXLA-GFCCVEGCSA-N -1 0 333.815 3.663 20 0 EHADRM O=C([O-])[C@H](NCc1cnc(-c2ccsc2)s1)c1cccc(F)c1 ZINC000426817847 1023064979 /nfs/dbraw/zinc/06/49/79/1023064979.db2.gz CQBKUJWLCXDBPK-CQSZACIVSA-N -1 0 348.424 3.926 20 0 EHADRM Cc1ccc(-c2ncc(CN[C@H](C(=O)[O-])c3ccsc3)s2)o1 ZINC000426833764 1023080724 /nfs/dbraw/zinc/08/07/24/1023080724.db2.gz MQTPNXGNTZUCML-ZDUSSCGKSA-N -1 0 334.422 3.689 20 0 EHADRM CN(C)c1ccccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000439003731 1023202975 /nfs/dbraw/zinc/20/29/75/1023202975.db2.gz IEDQPCQLRHVJIP-UHFFFAOYSA-N -1 0 338.498 3.912 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccn2)s1 ZINC000439007354 1023203518 /nfs/dbraw/zinc/20/35/18/1023203518.db2.gz SBIWIXYAZCHQSR-UHFFFAOYSA-N -1 0 330.862 3.895 20 0 EHADRM O=C([O-])[C@H]1CC[C@@H]1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000507280095 1023228178 /nfs/dbraw/zinc/22/81/78/1023228178.db2.gz NRZHMDLMZPVPNM-KBPBESRZSA-N -1 0 346.770 3.577 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-])c1ccc(-c2ccc(F)cc2)cc1 ZINC000507320374 1023249224 /nfs/dbraw/zinc/24/92/24/1023249224.db2.gz SUJHTNWWVHZVGZ-RZAIGCCYSA-N -1 0 341.382 3.781 20 0 EHADRM COc1ccc([C@H](N=c2[n-]nc(C3CC3)o2)c2ccc(C)cc2)cc1 ZINC000341752253 1023249775 /nfs/dbraw/zinc/24/97/75/1023249775.db2.gz VSZVAFXEDGIGFS-GOSISDBHSA-N -1 0 335.407 3.887 20 0 EHADRM C[C@H](Sc1ccccc1)C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000346024934 1023280602 /nfs/dbraw/zinc/28/06/02/1023280602.db2.gz JTTSGRQBPFMGTD-WMLDXEAASA-N -1 0 343.448 3.890 20 0 EHADRM Cc1ccc(-n2[n-]nnc2=N[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1 ZINC000510852614 1023289919 /nfs/dbraw/zinc/28/99/19/1023289919.db2.gz ORSDQOUMCRSBRK-LBPRGKRZSA-N -1 0 347.344 3.585 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cn(CC(C)C)nc2C(F)F)s1 ZINC000341784493 1023310152 /nfs/dbraw/zinc/31/01/52/1023310152.db2.gz YBNCLUXVGDFCGT-UHFFFAOYSA-N -1 0 349.428 3.647 20 0 EHADRM COc1cc(C)cc([N-]S(=O)(=O)c2sc(C)cc2C)c1C ZINC000431159568 1023362781 /nfs/dbraw/zinc/36/27/81/1023362781.db2.gz IDRLZEMCSMBECD-UHFFFAOYSA-N -1 0 325.455 3.791 20 0 EHADRM CCC[C@H](NC(=O)N=c1ccc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000471955114 1023418568 /nfs/dbraw/zinc/41/85/68/1023418568.db2.gz ALLDRZZMHHFAQQ-LBPRGKRZSA-N -1 0 338.333 3.580 20 0 EHADRM CCCCc1ccc(C(=O)Nc2cccc(OCC(=O)[O-])c2)cc1 ZINC000324576388 1033132796 /nfs/dbraw/zinc/13/27/96/1033132796.db2.gz VQGGHDQVSOGDNI-UHFFFAOYSA-N -1 0 327.380 3.745 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cnn([C@H](C)C3CC3)c2)c1 ZINC000187741823 1023527393 /nfs/dbraw/zinc/52/73/93/1023527393.db2.gz OSOCYUNRTLXDNA-CYBMUJFWSA-N -1 0 333.457 3.778 20 0 EHADRM CC(C)(CCC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-])c1ccccc1 ZINC000431218898 1023532229 /nfs/dbraw/zinc/53/22/29/1023532229.db2.gz XFRHZGYCNZUCFB-JQHSSLGASA-N -1 0 343.467 3.989 20 0 EHADRM O=S(=O)([N-]c1ccc2ccccc2n1)c1cccc2cnccc21 ZINC000342067581 1023816331 /nfs/dbraw/zinc/81/63/31/1023816331.db2.gz VZFJBTCCTJBLBQ-UHFFFAOYSA-N -1 0 335.388 3.584 20 0 EHADRM C[C@@H]1CN(C(=O)N(c2ccccc2)c2ccccc2)CC[C@H]1C(=O)[O-] ZINC000277148569 1023863871 /nfs/dbraw/zinc/86/38/71/1023863871.db2.gz QZNKKEBQCHFZAQ-CRAIPNDOSA-N -1 0 338.407 3.987 20 0 EHADRM Cc1n[n-]c(=N[C@H](C)c2ccc(OCc3ccc(F)cc3)cc2)o1 ZINC000342081841 1023891241 /nfs/dbraw/zinc/89/12/41/1023891241.db2.gz XBOOXIDZUFBDTP-GFCCVEGCSA-N -1 0 327.359 3.691 20 0 EHADRM CC1(C)C[C@H](C(=O)Nc2ccc(CC(=O)[O-])cc2)c2ccccc2O1 ZINC000909505599 1023968024 /nfs/dbraw/zinc/96/80/24/1023968024.db2.gz RBLSYUVRLRWAFS-INIZCTEOSA-N -1 0 339.391 3.597 20 0 EHADRM O=C([O-])c1csc(C2CCN(c3nc4ccccc4s3)CC2)n1 ZINC000574457450 1033178027 /nfs/dbraw/zinc/17/80/27/1033178027.db2.gz PGJZDSWHYCMDOH-UHFFFAOYSA-N -1 0 345.449 3.835 20 0 EHADRM Fc1cccc(N=c2[n-]nc(SC[C@H](F)C(F)(F)F)s2)c1 ZINC000443486286 1024035115 /nfs/dbraw/zinc/03/51/15/1024035115.db2.gz QGPNPLUMSLGAGF-QMMMGPOBSA-N -1 0 341.330 3.835 20 0 EHADRM O=C(N=c1[n-]nc(C(F)F)s1)Nc1cccc2ccsc21 ZINC000443852872 1024054128 /nfs/dbraw/zinc/05/41/28/1024054128.db2.gz LURGOLCBLXEGEY-UHFFFAOYSA-N -1 0 326.353 3.756 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N2CC[C@@H]2Cc2ccccc2)s1 ZINC000443872512 1024078885 /nfs/dbraw/zinc/07/88/85/1024078885.db2.gz AQVHVWCCWXNWBC-OAHLLOKOSA-N -1 0 344.484 3.713 20 0 EHADRM Cc1ccc(C)c(CC(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC000191408379 1024084687 /nfs/dbraw/zinc/08/46/87/1024084687.db2.gz RWJDUXWOXQSWLW-OAHLLOKOSA-N -1 0 325.408 3.748 20 0 EHADRM COc1cc(OC(F)F)ccc1-c1cn(C(C)(C)C)nc1C(=O)[O-] ZINC000657205756 1024093013 /nfs/dbraw/zinc/09/30/13/1024093013.db2.gz JUFFSWHWAMIXLE-UHFFFAOYSA-N -1 0 340.326 3.613 20 0 EHADRM Cn1nc(C(F)(F)F)cc1-c1ccc(SCCC(=O)[O-])cc1 ZINC000657205656 1024096706 /nfs/dbraw/zinc/09/67/06/1024096706.db2.gz CXEWPFLXWYEBDE-UHFFFAOYSA-N -1 0 330.331 3.673 20 0 EHADRM COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cc(F)ccc2O)c1 ZINC000093908288 1024098563 /nfs/dbraw/zinc/09/85/63/1024098563.db2.gz LSRNJVIOWRYYIM-INIZCTEOSA-N -1 0 345.370 3.526 20 0 EHADRM O=C([O-])[C@@H]1CCO[C@H]1c1cncc(-c2cccc(C(F)(F)F)c2)c1 ZINC000657204667 1024098735 /nfs/dbraw/zinc/09/87/35/1024098735.db2.gz DEOINLXDEWZVGQ-CABCVRRESA-N -1 0 337.297 3.930 20 0 EHADRM COc1cccc([C@@H](C)C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC000191423600 1024100020 /nfs/dbraw/zinc/10/00/20/1024100020.db2.gz RYNHVBIDFONMQJ-UONOGXRCSA-N -1 0 341.407 3.701 20 0 EHADRM CC(C)(C)c1ccc([N-]S(=O)(=O)c2c(F)cccc2F)c(O)c1 ZINC000443529364 1024111634 /nfs/dbraw/zinc/11/16/34/1024111634.db2.gz LAMVDAICXXOOIU-UHFFFAOYSA-N -1 0 341.379 3.769 20 0 EHADRM Cc1c(C(=O)N=c2ccc(OC(C)C)n[n-]2)sc2cccc(F)c12 ZINC000441581346 1024115655 /nfs/dbraw/zinc/11/56/55/1024115655.db2.gz QSBPUEJRNLNZKQ-UHFFFAOYSA-N -1 0 345.399 3.600 20 0 EHADRM CCC[C@H](C(=O)[O-])[S@](=O)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000594658954 1033494349 /nfs/dbraw/zinc/49/43/49/1033494349.db2.gz AMAGPJOIYXSZHE-WSVYEEACSA-N -1 0 342.766 3.861 20 0 EHADRM COCC[C@@H](Cc1cccc(-c2cc(OC)cc(OC)c2)c1)C(=O)[O-] ZINC000657207924 1024128223 /nfs/dbraw/zinc/12/82/23/1024128223.db2.gz LDIMLVBVIWMOLS-INIZCTEOSA-N -1 0 344.407 3.651 20 0 EHADRM CC(C)(C)CCCCNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000729537969 1024153643 /nfs/dbraw/zinc/15/36/43/1024153643.db2.gz LMCLTAYGDLGAAS-UHFFFAOYSA-N -1 0 333.457 3.570 20 0 EHADRM C[C@@H](Cc1ccc(NCc2ccc(N3CCCC3)nc2)cc1)C(=O)[O-] ZINC000417609421 1024156630 /nfs/dbraw/zinc/15/66/30/1024156630.db2.gz KXXCYFLFRJFOCY-HNNXBMFYSA-N -1 0 339.439 3.557 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])Cc1ccc(Sc2ccccn2)o1 ZINC000665351176 1024158347 /nfs/dbraw/zinc/15/83/47/1024158347.db2.gz UCKCICSKTHUAFE-UHFFFAOYSA-N -1 0 334.441 3.759 20 0 EHADRM Cc1ccccc1[C@@H]1CCN(C(=O)CC2CCC(C(=O)[O-])CC2)C1 ZINC000520588592 1024168131 /nfs/dbraw/zinc/16/81/31/1024168131.db2.gz TURPVQROAYZPAP-OFLPRAFFSA-N -1 0 329.440 3.592 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@@H](C)OCCc1ccccc1 ZINC000909512110 1024188354 /nfs/dbraw/zinc/18/83/54/1024188354.db2.gz BCNGYEVIXHXAAY-OAHLLOKOSA-N -1 0 341.407 3.588 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1c(C)cc(C)cc1OC ZINC000434632718 1024210442 /nfs/dbraw/zinc/21/04/42/1024210442.db2.gz ZZWUQEPICMQTFS-UHFFFAOYSA-N -1 0 349.452 3.902 20 0 EHADRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1c(C)cc(C)cc1OC ZINC000434634157 1024214703 /nfs/dbraw/zinc/21/47/03/1024214703.db2.gz PVUKDIYISIIQOT-UHFFFAOYSA-N -1 0 349.452 3.820 20 0 EHADRM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000324127355 1024233208 /nfs/dbraw/zinc/23/32/08/1024233208.db2.gz RHLYOYOKGAOISA-LBPRGKRZSA-N -1 0 347.798 3.682 20 0 EHADRM Cc1ccccc1S([O-])=CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000108090654 1024235840 /nfs/dbraw/zinc/23/58/40/1024235840.db2.gz ZYJQMRLJZQVXTE-XMHCIUCPSA-N -1 0 335.856 3.633 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c2n[nH]cc21 ZINC000063635479 1024239310 /nfs/dbraw/zinc/23/93/10/1024239310.db2.gz YNFTVMDAWYIFBA-UHFFFAOYSA-N -1 0 343.452 3.871 20 0 EHADRM CC[C@H]1CCC[C@@H]1CNS(=O)(=O)c1cc2cc(F)ccc2o1 ZINC001211889359 1024310240 /nfs/dbraw/zinc/31/02/40/1024310240.db2.gz BDZUTDPOKPDDDK-NWDGAFQWSA-N -1 0 325.405 3.677 20 0 EHADRM CC(C)Oc1cccc(CN[C@H](C(=O)[O-])c2c(F)cccc2F)c1 ZINC000277254968 1024347587 /nfs/dbraw/zinc/34/75/87/1024347587.db2.gz KEEKDDATLBRXPR-KRWDZBQOSA-N -1 0 335.350 3.668 20 0 EHADRM O=C([O-])c1ccc(CNCc2ccc(Cl)c(F)c2)nc1C1CC1 ZINC000417694946 1024350668 /nfs/dbraw/zinc/35/06/68/1024350668.db2.gz AODKFJBQXWHFNX-UHFFFAOYSA-N -1 0 334.778 3.740 20 0 EHADRM CC(C)CCc1n[n-]c(=NCc2cc(Br)cs2)o1 ZINC000346132175 1024435075 /nfs/dbraw/zinc/43/50/75/1024435075.db2.gz OSPRUDNRHUBEMR-UHFFFAOYSA-N -1 0 330.251 3.516 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)N(C)CCCC(=O)[O-] ZINC000417740201 1024448575 /nfs/dbraw/zinc/44/85/75/1024448575.db2.gz XNPCHERVMXQQJG-UHFFFAOYSA-N -1 0 326.824 3.793 20 0 EHADRM CC(C)n1[n-]c(-c2ccc(F)cc2)c(C(=O)NC2CCCCC2)c1=O ZINC000342235844 1024516130 /nfs/dbraw/zinc/51/61/30/1024516130.db2.gz AAHPAKVXHZODPI-UHFFFAOYSA-N -1 0 345.418 3.626 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccc(C)c(OC(F)F)c1 ZINC000607615232 1033217525 /nfs/dbraw/zinc/21/75/25/1033217525.db2.gz LBFFREHICCZETE-UHFFFAOYSA-N -1 0 333.381 3.767 20 0 EHADRM C[C@H](CC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC000262131436 1024574529 /nfs/dbraw/zinc/57/45/29/1024574529.db2.gz KTMHBTVQNQMAJX-FZKQIMNGSA-N -1 0 341.382 3.530 20 0 EHADRM CSC[C@H]1CCCN(c2ccc(=N[C@@H](C)c3ccccc3)[nH]n2)C1 ZINC000425273118 1024599937 /nfs/dbraw/zinc/59/99/37/1024599937.db2.gz XQVVCVGIBVBDMD-HOTGVXAUSA-N -1 0 342.512 3.651 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N2CC[C@H](c3ccccc3)[C@H]2C)s1 ZINC000435077691 1024605457 /nfs/dbraw/zinc/60/54/57/1024605457.db2.gz DALKZLVTBRYVRD-HIFRSBDPSA-N -1 0 344.484 3.568 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N2CC[C@H](c3ccccc3)[C@H]2C)s1 ZINC000435078659 1024605828 /nfs/dbraw/zinc/60/58/28/1024605828.db2.gz JBLAYNJTIMCNIG-HIFRSBDPSA-N -1 0 344.484 3.713 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cccs2)ccc1-c1ccncc1 ZINC000427640872 1024606484 /nfs/dbraw/zinc/60/64/84/1024606484.db2.gz CNOKLEMNJGZREN-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)C2(Nc3ccccc3)CC2)cc1)C(=O)[O-] ZINC000909523548 1024626216 /nfs/dbraw/zinc/62/62/16/1024626216.db2.gz OFPCXFSVCXEMTG-CQSZACIVSA-N -1 0 338.407 3.533 20 0 EHADRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccc2ncccc2c1 ZINC000548607785 1024681839 /nfs/dbraw/zinc/68/18/39/1024681839.db2.gz UXQFBEXQMOBOMH-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cn2)c1 ZINC000435196955 1024693253 /nfs/dbraw/zinc/69/32/53/1024693253.db2.gz PBGUPGRSKSXLRU-UHFFFAOYSA-N -1 0 331.224 3.752 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)c2cc(Cl)c3ccccc3n2)s1 ZINC000514744070 1024702625 /nfs/dbraw/zinc/70/26/25/1024702625.db2.gz RQOOJRLLBSJRBK-UHFFFAOYSA-N -1 0 346.843 3.711 20 0 EHADRM COCc1cc(NC(=O)c2sccc2C2CC2)cc(C(=O)[O-])c1 ZINC000427670584 1024717455 /nfs/dbraw/zinc/71/74/55/1024717455.db2.gz FNVYCGBZTJHTMG-UHFFFAOYSA-N -1 0 331.393 3.722 20 0 EHADRM CC(C)Cn1ncc([N-]S(=O)(=O)c2cccs2)c1C(C)C ZINC000346474011 1024761431 /nfs/dbraw/zinc/76/14/31/1024761431.db2.gz HFMAADVHEOIGNG-UHFFFAOYSA-N -1 0 327.475 3.525 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1noc2ccc(Cl)cc21 ZINC000427743738 1024762078 /nfs/dbraw/zinc/76/20/78/1024762078.db2.gz KAWLRLUEOUYFIR-UHFFFAOYSA-N -1 0 336.800 3.844 20 0 EHADRM O=S(=O)([N-]c1cccc(F)c1O)c1cc(Cl)ccc1Cl ZINC000707919900 1024780966 /nfs/dbraw/zinc/78/09/66/1024780966.db2.gz VJKFGCUJBXSDNV-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2noc3ccc(Cl)cc32)cc1 ZINC000427793061 1024786125 /nfs/dbraw/zinc/78/61/25/1024786125.db2.gz MVICDQWYYGAJPP-UHFFFAOYSA-N -1 0 336.800 3.844 20 0 EHADRM C[C@H](NC(=O)N1CCCCC[C@H]1C(=O)[O-])c1cccc2ccccc21 ZINC000684714181 1024902752 /nfs/dbraw/zinc/90/27/52/1024902752.db2.gz UNOYGCVTYAXGBQ-KSSFIOAISA-N -1 0 340.423 3.940 20 0 EHADRM Cc1cccc([C@@H](NCc2csc(C(C)(C)C)n2)C(=O)[O-])c1C ZINC000277397733 1024918541 /nfs/dbraw/zinc/91/85/41/1024918541.db2.gz RRVXRDKVXZLXON-OAHLLOKOSA-N -1 0 332.469 3.973 20 0 EHADRM O=C(CC/C=C\c1ccccc1)[N-]S(=O)(=O)c1ccccc1Cl ZINC000255471702 1024919261 /nfs/dbraw/zinc/91/92/61/1024919261.db2.gz ZFKTZXZQMJQRLJ-WMZJFQQLSA-N -1 0 349.839 3.639 20 0 EHADRM CCCOc1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)[nH]n2)cc1 ZINC000474422654 1024934057 /nfs/dbraw/zinc/93/40/57/1024934057.db2.gz VSKOXVRWFPNEGG-UHFFFAOYSA-N -1 0 349.456 3.657 20 0 EHADRM CSc1cccc(NC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000514987898 1024958666 /nfs/dbraw/zinc/95/86/66/1024958666.db2.gz JNDOURIQDPRUMQ-HNNXBMFYSA-N -1 0 330.409 3.698 20 0 EHADRM Cc1cc(C)cc([C@H](C)NC(=O)N(CC(=O)[O-])Cc2ccccc2)c1 ZINC000515031707 1024974807 /nfs/dbraw/zinc/97/48/07/1024974807.db2.gz GSKUATSXNZCGIF-INIZCTEOSA-N -1 0 340.423 3.661 20 0 EHADRM CC(C)(C)CN(Cc1ccccc1)C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000508266697 1024999947 /nfs/dbraw/zinc/99/99/47/1024999947.db2.gz WLKRJUIQOSEJDX-UHFFFAOYSA-N -1 0 349.434 3.612 20 0 EHADRM CC1(C)c2ccc3ccccc3c2-c2ccc(N[C@@H]3CO[N-]C3=O)cc21 ZINC001167522485 1025011754 /nfs/dbraw/zinc/01/17/54/1025011754.db2.gz FDWPJVJYUGTTLY-LJQANCHMSA-N -1 0 344.414 3.988 20 0 EHADRM O=C(Nc1n[nH]c(C(F)(F)F)n1)c1nc2ccccc2cc1C1CC1 ZINC000892153425 1025031441 /nfs/dbraw/zinc/03/14/41/1025031441.db2.gz QCGGVLCAUQVDQU-UHFFFAOYSA-N -1 0 347.300 3.501 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)N1CCCCC[C@H]1C(=O)[O-] ZINC000684724100 1025031544 /nfs/dbraw/zinc/03/15/44/1025031544.db2.gz WWUCSUUIQACTAN-HIFRSBDPSA-N -1 0 344.411 3.841 20 0 EHADRM Cc1cccc([C@H](NC(=O)C2CCC(C(=O)[O-])CC2)C(F)(F)F)c1 ZINC000435711859 1025100595 /nfs/dbraw/zinc/10/05/95/1025100595.db2.gz UODJMOPLURSVGP-YIZWMMSDSA-N -1 0 343.345 3.606 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N[C@H](CC(F)(F)F)c2ccccc2)CC1 ZINC000435719827 1025104429 /nfs/dbraw/zinc/10/44/29/1025104429.db2.gz QYBJYLPBOGMDCI-MGPQQGTHSA-N -1 0 343.345 3.687 20 0 EHADRM COc1cc(C)c(NS(=O)(=O)c2cccc(Cl)c2)cc1C ZINC000435721340 1025105932 /nfs/dbraw/zinc/10/59/32/1025105932.db2.gz HZCDXUOKISJMHG-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)Nc1ccc(F)c(C(F)(F)F)c1)C1CCC1 ZINC000684743885 1025190065 /nfs/dbraw/zinc/19/00/65/1025190065.db2.gz JUNVFTDLCGFIED-MRVPVSSYSA-N -1 0 348.296 3.704 20 0 EHADRM CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(CC)c(C)c1 ZINC000442229421 1025213182 /nfs/dbraw/zinc/21/31/82/1025213182.db2.gz LVJFYGQRWXOMQK-UHFFFAOYSA-N -1 0 347.436 3.535 20 0 EHADRM CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(C)c(CC)c1 ZINC000442220300 1025218049 /nfs/dbraw/zinc/21/80/49/1025218049.db2.gz OYZFXGSAUYIZEW-UHFFFAOYSA-N -1 0 347.436 3.535 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2cc(Cl)cc(F)c2F)c(F)c1 ZINC000442239547 1025221085 /nfs/dbraw/zinc/22/10/85/1025221085.db2.gz DENDMTBFRGBVIC-UHFFFAOYSA-N -1 0 335.734 3.867 20 0 EHADRM O=C([O-])CN(C(=O)Nc1cc(F)cc(Cl)c1)C1CCCCC1 ZINC000684745645 1025222515 /nfs/dbraw/zinc/22/25/15/1025222515.db2.gz ROKXXNUGQSYDEX-UHFFFAOYSA-N -1 0 328.771 3.730 20 0 EHADRM Cc1ccc(OCc2ccccc2)c([N-]S(=O)(=O)c2ccco2)c1 ZINC000442243465 1025224129 /nfs/dbraw/zinc/22/41/29/1025224129.db2.gz PYTBFOPJAZPIAN-UHFFFAOYSA-N -1 0 343.404 3.968 20 0 EHADRM O=C([O-])CN(C(=O)Nc1ccc(Cl)c(F)c1)C1CCCCC1 ZINC000684746186 1025225693 /nfs/dbraw/zinc/22/56/93/1025225693.db2.gz VPYBNPQARDUAPO-UHFFFAOYSA-N -1 0 328.771 3.730 20 0 EHADRM CCCN(C(=O)Nc1ccc2nc(C3CC3)oc2c1)[C@H](CC)C(=O)[O-] ZINC000684749205 1025253680 /nfs/dbraw/zinc/25/36/80/1025253680.db2.gz LCGCNWCZRDHBCO-CQSZACIVSA-N -1 0 345.399 3.812 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1ccccc1OCC1CC1 ZINC000436015754 1025318165 /nfs/dbraw/zinc/31/81/65/1025318165.db2.gz IRFVOXOOFMNVSO-UHFFFAOYSA-N -1 0 349.477 3.998 20 0 EHADRM CSc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(C)c1Cl ZINC000192155753 1025320175 /nfs/dbraw/zinc/32/01/75/1025320175.db2.gz FJEWBXBOOYJOIO-UHFFFAOYSA-N -1 0 343.857 3.877 20 0 EHADRM Cc1cccnc1C(C)(C)CNC(=O)CC1(CC(=O)[O-])CCCCC1 ZINC000515565419 1025356869 /nfs/dbraw/zinc/35/68/69/1025356869.db2.gz PVYRGGCHGRESGC-UHFFFAOYSA-N -1 0 346.471 3.599 20 0 EHADRM CO[C@@H](C)c1nc(=NC(=O)[C@H](CC2CCCCC2)C(C)C)s[n-]1 ZINC000511080945 1025368826 /nfs/dbraw/zinc/36/88/26/1025368826.db2.gz RBAPOCAFPWYOER-GXTWGEPZSA-N -1 0 339.505 3.849 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)Nc1ccc(C2CCC2)cc1 ZINC000515604942 1025400781 /nfs/dbraw/zinc/40/07/81/1025400781.db2.gz LIOHQAOZMZWKMD-OIISXLGYSA-N -1 0 328.412 3.671 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000515615276 1025412094 /nfs/dbraw/zinc/41/20/94/1025412094.db2.gz QQFLGPPJGAJLIY-UHFFFAOYSA-N -1 0 333.306 3.954 20 0 EHADRM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000342432427 1025426247 /nfs/dbraw/zinc/42/62/47/1025426247.db2.gz GGEADTMMLMRTAO-UHFFFAOYSA-N -1 0 341.864 3.610 20 0 EHADRM c1ccc(-c2n[n-]c(=NCCc3ccc4ccccc4n3)s2)cc1 ZINC000521564820 1025470405 /nfs/dbraw/zinc/47/04/05/1025470405.db2.gz PXTBHPVQKZGGLP-UHFFFAOYSA-N -1 0 332.432 3.830 20 0 EHADRM Cc1csc(S(=O)(=O)[N-]c2cnc(C(F)(F)F)cc2C)c1 ZINC000451052732 1025474078 /nfs/dbraw/zinc/47/40/78/1025474078.db2.gz WTCGCDMWQGJFTA-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM Cc1cccc(NC(=O)c2c(C(C)C)[n-]n(-c3ccccc3)c2=O)c1C ZINC000505775844 1025482036 /nfs/dbraw/zinc/48/20/36/1025482036.db2.gz FGIFRZOJCLLKLA-SFHVURJKSA-N -1 0 349.434 3.917 20 0 EHADRM O=C([O-])CC1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000262386533 1025528735 /nfs/dbraw/zinc/52/87/35/1025528735.db2.gz DWDOCOLQLVJYJF-UHFFFAOYSA-N -1 0 337.419 3.609 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2OCCF)s1 ZINC000451085831 1025529034 /nfs/dbraw/zinc/52/90/34/1025529034.db2.gz RQHYYXOXVZBSKH-UHFFFAOYSA-N -1 0 329.418 3.514 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Cc1csc2ccccc12 ZINC000262274417 1025557086 /nfs/dbraw/zinc/55/70/86/1025557086.db2.gz XFPBSOIVWKLSPA-AWEZNQCLSA-N -1 0 331.437 3.690 20 0 EHADRM CCSCc1ccc([N-]S(=O)(=O)c2cnc(C)s2)cc1 ZINC000451106459 1025570461 /nfs/dbraw/zinc/57/04/61/1025570461.db2.gz LLWRCOAJAYSIFZ-UHFFFAOYSA-N -1 0 328.484 3.505 20 0 EHADRM CC(C)[C@H](NC(=O)C[C@H](C)CC(=O)[O-])c1ccc(Cl)cc1F ZINC000574584868 1033292177 /nfs/dbraw/zinc/29/21/77/1033292177.db2.gz NZHVLWWIFXWWLK-QFYYESIMSA-N -1 0 329.799 3.793 20 0 EHADRM O=S(=O)(Cc1cccc(Cl)c1)[N-]c1nccc2sccc21 ZINC000342453331 1025579672 /nfs/dbraw/zinc/57/96/72/1025579672.db2.gz SQEGSXRJLGESGV-UHFFFAOYSA-N -1 0 338.841 3.892 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N(C2CC2)[C@H]2CCc3ccccc32)c1 ZINC000262278661 1025602867 /nfs/dbraw/zinc/60/28/67/1025602867.db2.gz ZDXMSHZLWCKMID-IBGZPJMESA-N -1 0 335.403 3.606 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)[N-]OCc1ccccn1 ZINC000909534461 1025609197 /nfs/dbraw/zinc/60/91/97/1025609197.db2.gz RLISBKZKBFCHPO-KRWDZBQOSA-N -1 0 328.412 3.610 20 0 EHADRM CC(C)C[C@H](NC(=O)NC[C@@H](C(=O)[O-])C1CCC1)c1cccs1 ZINC000665301636 1025637176 /nfs/dbraw/zinc/63/71/76/1025637176.db2.gz CARLESZLQCBCRI-KGLIPLIRSA-N -1 0 338.473 3.635 20 0 EHADRM Cc1ccc2snc(C(=O)N3CCC[C@@H](C(C)(C)C(=O)[O-])C3)c2c1 ZINC000909495149 1025692922 /nfs/dbraw/zinc/69/29/22/1025692922.db2.gz OIJORIMAEULWDR-GFCCVEGCSA-N -1 0 346.452 3.568 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cnc3ccc(F)cc3c2)ccc1F ZINC000436480296 1025756617 /nfs/dbraw/zinc/75/66/17/1025756617.db2.gz ZTCJUSZMOWHHEI-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM CCCC[C@@H](NC(=O)[C@H](CC)Oc1ccccc1C(C)C)C(=O)[O-] ZINC000347268411 1025772177 /nfs/dbraw/zinc/77/21/77/1025772177.db2.gz QFHDVAOKOMMWLV-CVEARBPZSA-N -1 0 335.444 3.727 20 0 EHADRM CCCC[C@H](NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000347270460 1025776167 /nfs/dbraw/zinc/77/61/67/1025776167.db2.gz UFUCFILWXJRHCW-FZMZJTMJSA-N -1 0 345.361 3.959 20 0 EHADRM C[C@](CC(=O)N[C@@H]1C[C@H]1C1CCCCC1)(C(=O)[O-])c1ccccc1 ZINC000515964851 1025799028 /nfs/dbraw/zinc/79/90/28/1025799028.db2.gz JSSOSRDZAMQAQQ-SQGPQFPESA-N -1 0 329.440 3.504 20 0 EHADRM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000436521491 1025824559 /nfs/dbraw/zinc/82/45/59/1025824559.db2.gz FGEGJAHQNUXODE-JSGCOSHPSA-N -1 0 331.362 3.764 20 0 EHADRM CC(C)(C)c1ccccc1OCCNC(=O)c1cc(F)c([O-])c(F)c1 ZINC000436525787 1025827942 /nfs/dbraw/zinc/82/79/42/1025827942.db2.gz ORBPSYQXPNYRDO-UHFFFAOYSA-N -1 0 349.377 3.777 20 0 EHADRM COC(=O)c1ccc(O)c(NC(=O)c2ccc(SC(C)C)cc2)c1 ZINC000436517262 1025848818 /nfs/dbraw/zinc/84/88/18/1025848818.db2.gz YZPGZCYESJCBRM-UHFFFAOYSA-N -1 0 345.420 3.932 20 0 EHADRM CN(C[C@@H]1CCCCO1)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436551271 1025859451 /nfs/dbraw/zinc/85/94/51/1025859451.db2.gz YAZXBTGBUMEFHM-LBPRGKRZSA-N -1 0 333.815 3.840 20 0 EHADRM C[C@@H](CO)CCCNC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436537809 1025864987 /nfs/dbraw/zinc/86/49/87/1025864987.db2.gz FZTQXLDARNJDSY-CYBMUJFWSA-N -1 0 347.842 3.851 20 0 EHADRM CC(C)(C)C1CCC(CC(=O)N2CCCC[C@@H]2c2n[nH]c(=O)[n-]2)CC1 ZINC000329459431 1025868132 /nfs/dbraw/zinc/86/81/32/1025868132.db2.gz RMMUGYBLZIZWHK-YMAMQOFZSA-N -1 0 348.491 3.807 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(Br)cc2[O-])c2ccccc2O1 ZINC000436543420 1025874643 /nfs/dbraw/zinc/87/46/43/1025874643.db2.gz LEHAWKZVOXYQOY-SNVBAGLBSA-N -1 0 348.196 3.582 20 0 EHADRM CC(C)c1nnc(CNC(=O)c2c([O-])cc(Cl)cc2Cl)s1 ZINC000436576123 1025882825 /nfs/dbraw/zinc/88/28/25/1025882825.db2.gz QBKBAIBLZJYNDH-UHFFFAOYSA-N -1 0 346.239 3.604 20 0 EHADRM CC1(C)CCCc2sc([N-]S(=O)(=O)Cc3ccccc3)nc21 ZINC000522046060 1025913872 /nfs/dbraw/zinc/91/38/72/1025913872.db2.gz VSBJNJVWSIOQDW-UHFFFAOYSA-N -1 0 336.482 3.699 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cscc2Br)c1 ZINC000436581960 1025922817 /nfs/dbraw/zinc/92/28/17/1025922817.db2.gz KGFOWSVXHOBPMD-UHFFFAOYSA-N -1 0 340.198 3.671 20 0 EHADRM CCC1(NC(=O)c2cc(Cl)c3ccccc3c2[O-])CCOCC1 ZINC000436607979 1025938929 /nfs/dbraw/zinc/93/89/29/1025938929.db2.gz SZFGYXBLRXTPSI-UHFFFAOYSA-N -1 0 333.815 3.888 20 0 EHADRM CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1ccc([O-])c(Cl)c1 ZINC000436614395 1025945327 /nfs/dbraw/zinc/94/53/27/1025945327.db2.gz XBMGUXQPXCFMCR-HNNXBMFYSA-N -1 0 344.842 3.787 20 0 EHADRM C[C@@]1(CCc2ccccc2)CCN(C(=O)c2ccc(O)cc2O)C1 ZINC000436628155 1025958378 /nfs/dbraw/zinc/95/83/78/1025958378.db2.gz XCJBIGBOARHZJG-HXUWFJFHSA-N -1 0 325.408 3.583 20 0 EHADRM O=C(c1ccc(O)cc1O)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000436631033 1025959434 /nfs/dbraw/zinc/95/94/34/1025959434.db2.gz RTUVKVBVTWYMOL-QGZVFWFLSA-N -1 0 339.435 3.973 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(/C=C\C(=O)Nc2ccccc2CC(=O)[O-])o1 ZINC000324558613 1025970879 /nfs/dbraw/zinc/97/08/79/1025970879.db2.gz XVBYPBRTIFCGRU-AXYMLXJTSA-N -1 0 325.364 3.682 20 0 EHADRM CCOC(=O)c1sc(Nc2cc(C)cc(C(=O)[O-])c2)nc1C1CC1 ZINC001211542600 1025971096 /nfs/dbraw/zinc/97/10/96/1025971096.db2.gz LFDALHMVCYSXCV-UHFFFAOYSA-N -1 0 346.408 3.947 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)Oc2ccc(F)cc2)c1 ZINC000436652986 1025981308 /nfs/dbraw/zinc/98/13/08/1025981308.db2.gz SCDQSERNHBDKIM-LLVKDONJSA-N -1 0 331.343 3.530 20 0 EHADRM CSc1ccc(C(=O)N=c2nc(-c3ccccc3)[n-]s2)cc1 ZINC000614689172 1025985623 /nfs/dbraw/zinc/98/56/23/1025985623.db2.gz QAXUDEBECZZXBJ-UHFFFAOYSA-N -1 0 327.434 3.601 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccoc2Br)c1 ZINC000436656148 1025986187 /nfs/dbraw/zinc/98/61/87/1025986187.db2.gz IFCDGEWJXGWHDO-UHFFFAOYSA-N -1 0 338.157 3.593 20 0 EHADRM CC(C)c1cccnc1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000443411788 1025990194 /nfs/dbraw/zinc/99/01/94/1025990194.db2.gz SWPANNUVYCTVHU-UHFFFAOYSA-N -1 0 328.796 3.798 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C2CCC(OC(F)F)CC2)c1 ZINC000436645484 1025992699 /nfs/dbraw/zinc/99/26/99/1025992699.db2.gz DBSJPMGMYGGEMS-UHFFFAOYSA-N -1 0 341.354 3.721 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C[C@H]2C[C@@H](C(C)=O)C2(C)C)c1 ZINC000436645910 1025994531 /nfs/dbraw/zinc/99/45/31/1025994531.db2.gz FKRZSCUXPAZOLU-KGLIPLIRSA-N -1 0 331.412 3.565 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(C)n([C@@H](C)CC)n2)c1 ZINC000436647880 1025997065 /nfs/dbraw/zinc/99/70/65/1025997065.db2.gz RPFUDGPBKGUZAQ-NSHDSACASA-N -1 0 329.400 3.713 20 0 EHADRM O=C(NCc1c(F)cc(F)cc1F)c1cc(F)c([O-])c(Cl)c1 ZINC000436647005 1025997597 /nfs/dbraw/zinc/99/75/97/1025997597.db2.gz IQLSWCODYWMXOS-UHFFFAOYSA-N -1 0 333.668 3.532 20 0 EHADRM O=C(N[C@H](Cc1ccccc1)c1cccs1)c1ccc(O)cc1O ZINC000436665866 1026003333 /nfs/dbraw/zinc/00/33/33/1026003333.db2.gz QCSNBNXRGHPKGA-MRXNPFEDSA-N -1 0 339.416 3.873 20 0 EHADRM FC(F)c1ccc(CN=c2[n-]nc([C@@H]3Cc4ccccc4O3)o2)cc1 ZINC000530528039 1026004539 /nfs/dbraw/zinc/00/45/39/1026004539.db2.gz SCQPODMBUYOQIP-HNNXBMFYSA-N -1 0 343.333 3.717 20 0 EHADRM C[C@@H]1CN(C(=O)Cc2cccc(C(=O)[O-])c2)CC[C@H]1c1ccccc1 ZINC000262175702 1026008320 /nfs/dbraw/zinc/00/83/20/1026008320.db2.gz LUVBAPZZAZPJRD-DNVCBOLYSA-N -1 0 337.419 3.580 20 0 EHADRM CCc1cccnc1[N-]S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC000443412331 1026013205 /nfs/dbraw/zinc/01/32/05/1026013205.db2.gz BEWDOGDMLCRQEJ-UHFFFAOYSA-N -1 0 344.358 3.772 20 0 EHADRM CCC(CC)(NC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000342515532 1026018824 /nfs/dbraw/zinc/01/88/24/1026018824.db2.gz ADUOTUZFCRASHT-QWHCGFSZSA-N -1 0 343.345 3.569 20 0 EHADRM CCOc1cccnc1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000436675535 1026023699 /nfs/dbraw/zinc/02/36/99/1026023699.db2.gz ZZMGBLVOFRCWPB-UHFFFAOYSA-N -1 0 327.167 3.745 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2ccccc2OC(F)(F)F)c1 ZINC000436683326 1026036922 /nfs/dbraw/zinc/03/69/22/1026036922.db2.gz YDCORCLMBRXANU-UHFFFAOYSA-N -1 0 339.269 3.746 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2ccc(-n3cccc3)c(F)c2)c1 ZINC000436682402 1026037635 /nfs/dbraw/zinc/03/76/35/1026037635.db2.gz VKSBSXUPAJANLQ-UHFFFAOYSA-N -1 0 338.338 3.777 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)c(C)c1 ZINC000103058917 1026045087 /nfs/dbraw/zinc/04/50/87/1026045087.db2.gz WHDUKRWWSAUOAJ-UHFFFAOYSA-N -1 0 343.807 3.987 20 0 EHADRM C[C@H](NC(=O)c1c([O-])cc(Cl)cc1Cl)c1ccncc1F ZINC000436691860 1026047225 /nfs/dbraw/zinc/04/72/25/1026047225.db2.gz ZZMJXOQQOYLVKO-ZETCQYMHSA-N -1 0 329.158 3.724 20 0 EHADRM Cc1ccccc1NC(=O)Cc1noc(-c2cc(Cl)ccc2[O-])n1 ZINC000436695400 1026055077 /nfs/dbraw/zinc/05/50/77/1026055077.db2.gz DXAKRGXVPGLFMC-UHFFFAOYSA-N -1 0 343.770 3.585 20 0 EHADRM Cc1noc(C(C)(C)NC(=O)c2cc(Cl)c3ccccc3c2[O-])n1 ZINC000436725454 1026072102 /nfs/dbraw/zinc/07/21/02/1026072102.db2.gz UZTCJIJFIVJASZ-UHFFFAOYSA-N -1 0 345.786 3.555 20 0 EHADRM CCNC(=O)Nc1ccc(C)c(NC(=O)c2ccc(Cl)cc2[O-])c1 ZINC000436725775 1026072881 /nfs/dbraw/zinc/07/28/81/1026072881.db2.gz ZTGDHJKXNLICQV-UHFFFAOYSA-N -1 0 347.802 3.748 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)c2cscc2C(F)F)sc1C(=O)[O-] ZINC000909504208 1026074132 /nfs/dbraw/zinc/07/41/32/1026074132.db2.gz RVRNPCBURCRPSX-ZCFIWIBFSA-N -1 0 346.380 3.640 20 0 EHADRM O=C(Nc1ccc([C@@H]2CCOC2)cc1)c1cc(F)c([O-])c(Cl)c1 ZINC000436707227 1026074397 /nfs/dbraw/zinc/07/43/97/1026074397.db2.gz XFOKYQNRPHFPNY-LLVKDONJSA-N -1 0 335.762 3.941 20 0 EHADRM O=C(N[C@H](CCO)c1ccc(Cl)cc1)c1ccc([O-])c(Cl)c1 ZINC000436737278 1026103765 /nfs/dbraw/zinc/10/37/65/1026103765.db2.gz JFXVBFMVEXWLKT-CQSZACIVSA-N -1 0 340.206 3.553 20 0 EHADRM COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000582392645 1026106955 /nfs/dbraw/zinc/10/69/55/1026106955.db2.gz NUSOKJCZVZXHKG-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM CCCNC(=O)c1cccc(NC(=O)c2ccc3ccccc3c2O)c1 ZINC000436729842 1026120556 /nfs/dbraw/zinc/12/05/56/1026120556.db2.gz IDBNBWYXPLKUPD-UHFFFAOYSA-N -1 0 348.402 3.938 20 0 EHADRM C[C@@H]1CN(c2cccc(F)c2)CCN1C(=O)c1ccc([O-])c(Cl)c1 ZINC000436747168 1026133291 /nfs/dbraw/zinc/13/32/91/1026133291.db2.gz KZQZSSKWVXCJRP-GFCCVEGCSA-N -1 0 348.805 3.536 20 0 EHADRM O=C(NCCOc1ccccc1F)c1c([O-])cc(Cl)cc1Cl ZINC000436756987 1026147546 /nfs/dbraw/zinc/14/75/46/1026147546.db2.gz UOMCNSPBEDZGOI-UHFFFAOYSA-N -1 0 344.169 3.647 20 0 EHADRM CC(=O)N1CC2(CC2)c2ccc(Nc3cc(C)cc(C(=O)[O-])c3)cc21 ZINC001211545047 1026239529 /nfs/dbraw/zinc/23/95/29/1026239529.db2.gz PPWMKJWNQTXLOI-UHFFFAOYSA-N -1 0 336.391 3.835 20 0 EHADRM CCC(CC)(NC(=O)CCCCOc1cc(C)ccc1C)C(=O)[O-] ZINC000342554070 1026258582 /nfs/dbraw/zinc/25/85/82/1026258582.db2.gz BDADOGXVJAJNBV-UHFFFAOYSA-N -1 0 335.444 3.612 20 0 EHADRM CC[C@@H]1CCCN(C(=O)c2nn(-c3cccc(C(C)C)c3)cc2[O-])C1 ZINC000530986570 1026457776 /nfs/dbraw/zinc/45/77/76/1026457776.db2.gz SWADBBAATYQGDH-OAHLLOKOSA-N -1 0 341.455 3.964 20 0 EHADRM Cc1c(F)ccc2c1N(Cc1nc(=O)c3sccc3[n-]1)CCC2 ZINC000452093861 1026487634 /nfs/dbraw/zinc/48/76/34/1026487634.db2.gz WUXVHWVMBIAQPW-UHFFFAOYSA-N -1 0 329.400 3.797 20 0 EHADRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000511148641 1026490985 /nfs/dbraw/zinc/49/09/85/1026490985.db2.gz ZSQAXBMOCHCZHS-UHFFFAOYSA-N -1 0 329.780 3.679 20 0 EHADRM CC1(C)CN(C(=O)CC2CCC(C(=O)[O-])CC2)CC[C@H]1C(F)(F)F ZINC000566288575 1026492420 /nfs/dbraw/zinc/49/24/20/1026492420.db2.gz JWECHYKASJDBMM-WXRRBKDZSA-N -1 0 349.393 3.705 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CCCOc1ccccc1 ZINC000262475764 1026505773 /nfs/dbraw/zinc/50/57/73/1026505773.db2.gz HIPRTNWANBGSML-UHFFFAOYSA-N -1 0 327.380 3.799 20 0 EHADRM Cn1cc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c(C(C)(C)C)n1 ZINC000159248463 1026566864 /nfs/dbraw/zinc/56/68/64/1026566864.db2.gz WNERCRICNPGCNN-UHFFFAOYSA-N -1 0 342.226 3.982 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1ccc(Cl)cc1C ZINC000192901664 1026615646 /nfs/dbraw/zinc/61/56/46/1026615646.db2.gz LMGJDICUPGVIOH-MRXNPFEDSA-N -1 0 331.799 3.903 20 0 EHADRM CC[C@](C)(NC(=O)c1ccc(SCc2ccccc2)cc1)C(=O)[O-] ZINC000262498814 1026653249 /nfs/dbraw/zinc/65/32/49/1026653249.db2.gz XZBQVBNSJVEWBJ-IBGZPJMESA-N -1 0 343.448 3.962 20 0 EHADRM Cc1cccc(-c2cnc([N-]S(=O)(=O)c3ccc(C)nc3)s2)c1 ZINC000342676426 1026675591 /nfs/dbraw/zinc/67/55/91/1026675591.db2.gz YCKTZYLFDQKDLB-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM COC(=O)Cc1ccccc1NC(=O)c1ccc2ccccc2c1O ZINC000582597255 1026692451 /nfs/dbraw/zinc/69/24/51/1026692451.db2.gz GFDFKVWELOALLP-UHFFFAOYSA-N -1 0 335.359 3.513 20 0 EHADRM C[C@H]([N-]c1nc(-c2cccc(Cl)c2)no1)C(=O)Nc1ccccc1 ZINC000301232731 1026731939 /nfs/dbraw/zinc/73/19/39/1026731939.db2.gz KDELUMGVAWPIBZ-NSHDSACASA-N -1 0 342.786 3.829 20 0 EHADRM C[C@@H]([N-]c1nc(-c2cccc(Cl)c2)no1)C(=O)N1CCCC[C@H]1C ZINC000301249531 1026738060 /nfs/dbraw/zinc/73/80/60/1026738060.db2.gz CPVRFBIEAYTMEF-VXGBXAGGSA-N -1 0 348.834 3.591 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)N1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000582610131 1026738106 /nfs/dbraw/zinc/73/81/06/1026738106.db2.gz OLSGORAMDHECJI-QLJPJBMISA-N -1 0 341.860 3.635 20 0 EHADRM Cc1ccsc1-c1n[n-]c(=Nc2cnn(C(C)C)c2)n1C(C)C ZINC000582677640 1026915666 /nfs/dbraw/zinc/91/56/66/1026915666.db2.gz SXLXUZCVTLZZKT-UHFFFAOYSA-N -1 0 330.461 3.839 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1cccnc1C(F)(F)F ZINC000342748473 1026949062 /nfs/dbraw/zinc/94/90/62/1026949062.db2.gz JEVOLSDWOZCFQE-UHFFFAOYSA-N -1 0 348.371 3.623 20 0 EHADRM COC[C@@H](C)Oc1cccc(-c2nc(C(=O)[O-])c(C3CC3)s2)c1 ZINC000563437357 1026953506 /nfs/dbraw/zinc/95/35/06/1026953506.db2.gz IBPALQVHYPULGQ-SNVBAGLBSA-N -1 0 333.409 3.799 20 0 EHADRM CCn1cnc(S(=O)(=O)[N-]c2ccc3oc4ccccc4c3c2)c1 ZINC000531472598 1026961065 /nfs/dbraw/zinc/96/10/65/1026961065.db2.gz QDFUBCUHBXSABV-UHFFFAOYSA-N -1 0 341.392 3.603 20 0 EHADRM Cc1ccncc1[N-]S(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000531489703 1026967272 /nfs/dbraw/zinc/96/72/72/1026967272.db2.gz SLFHHRDJWMHOLJ-UHFFFAOYSA-N -1 0 336.416 3.762 20 0 EHADRM Cc1cccc(Oc2ccc(NC(=O)N(C)[C@H](C)C(=O)[O-])cc2)c1 ZINC000582703950 1026998192 /nfs/dbraw/zinc/99/81/92/1026998192.db2.gz JCYCUYRSRZRPAM-CYBMUJFWSA-N -1 0 328.368 3.724 20 0 EHADRM [O-]C(=Cc1ccc(F)cc1Cl)Nc1nc(-c2ccccc2)ns1 ZINC000487481351 1027028539 /nfs/dbraw/zinc/02/85/39/1027028539.db2.gz QZUFSLNOARSJOC-UHFFFAOYSA-N -1 0 347.802 3.601 20 0 EHADRM CC[C@H](c1n[n-]c(=NCc2ncc(C)s2)s1)c1ccccc1 ZINC000453046016 1027258155 /nfs/dbraw/zinc/25/81/55/1027258155.db2.gz LBIOEMGSLQHTNN-ZDUSSCGKSA-N -1 0 330.482 3.879 20 0 EHADRM CC(C)[C@@H](Sc1ccccc1)C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000414442418 1027359107 /nfs/dbraw/zinc/35/91/07/1027359107.db2.gz QCIALDBREQVFPS-QAPCUYQASA-N -1 0 335.469 3.517 20 0 EHADRM CC(C)(C)OC(=O)Cc1cccc(NC(=O)c2cccc(F)c2[O-])c1 ZINC001126598086 1027384986 /nfs/dbraw/zinc/38/49/86/1027384986.db2.gz WFGWKKNBUVRLKM-UHFFFAOYSA-N -1 0 345.370 3.668 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N[C@@H](C)c2ccc(Cl)cc2)s1 ZINC000459296643 1027395342 /nfs/dbraw/zinc/39/53/42/1027395342.db2.gz RFGUEUFLNYPCGV-QMMMGPOBSA-N -1 0 342.877 3.608 20 0 EHADRM Cc1ccnc(C)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C)c1 ZINC000414450014 1027455425 /nfs/dbraw/zinc/45/54/25/1027455425.db2.gz DXWPGESYARQFDM-UHFFFAOYSA-N -1 0 344.358 3.826 20 0 EHADRM C[C@@](CCF)(NC(=O)CC1CCC(c2ccccc2)CC1)C(=O)[O-] ZINC000659215084 1027514872 /nfs/dbraw/zinc/51/48/72/1027514872.db2.gz KXFKNWAXCAEXPQ-KJXMEXGPSA-N -1 0 335.419 3.670 20 0 EHADRM CCc1ccccc1C(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000472257365 1027614528 /nfs/dbraw/zinc/61/45/28/1027614528.db2.gz IKSRGPCNIBXGIV-UHFFFAOYSA-N -1 0 329.450 3.812 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCC[C@@H]2CCc2ccccc2)C1 ZINC000414459453 1027615266 /nfs/dbraw/zinc/61/52/66/1027615266.db2.gz XFRVQTGAVUCYJC-RCCFBDPRSA-N -1 0 329.440 3.501 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)C2(Oc3ccccc3F)CC2)c1 ZINC000414462530 1027643286 /nfs/dbraw/zinc/64/32/86/1027643286.db2.gz ZSHRSJBHNHFJEJ-LBPRGKRZSA-N -1 0 343.354 3.564 20 0 EHADRM Cc1ccn(-c2ccccc2NC(=O)c2cc(O)ccc2Cl)n1 ZINC000342868694 1027768336 /nfs/dbraw/zinc/76/83/36/1027768336.db2.gz PGNVXUSBCQSPNH-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM Cc1ccc(S[C@@H](C)C(=O)NCc2ccc(C(=O)[O-])s2)cc1 ZINC000422565774 1027792843 /nfs/dbraw/zinc/79/28/43/1027792843.db2.gz NNDLXGMXQYIKKG-NSHDSACASA-N -1 0 335.450 3.552 20 0 EHADRM CC(C)[C@H]1CCN1C(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000455165087 1027806183 /nfs/dbraw/zinc/80/61/83/1027806183.db2.gz VTYKNOWOGMYUPE-GFCCVEGCSA-N -1 0 336.848 3.543 20 0 EHADRM CC(C)(C)[C@@H]1CCN(C(=O)N=c2nc(-c3ccccc3)[n-]s2)C1 ZINC000544217871 1027852792 /nfs/dbraw/zinc/85/27/92/1027852792.db2.gz DKXLCQOEGUSDFN-CYBMUJFWSA-N -1 0 330.457 3.527 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CNC(=O)N=c2ccc(-c3ccccc3)n[n-]2)o1 ZINC000533452132 1027887923 /nfs/dbraw/zinc/88/79/23/1027887923.db2.gz NLISGDOGRQRIFX-BBRMVZONSA-N -1 0 348.406 3.604 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)c2cc(C)ccc2C)s[n-]1 ZINC000472268159 1027909932 /nfs/dbraw/zinc/90/99/32/1027909932.db2.gz MGCKOFWYDUNKBL-UHFFFAOYSA-N -1 0 329.450 3.866 20 0 EHADRM Fc1ccc([C@H]2C[C@H](N=c3[n-]nc(-c4ccccn4)s3)C2)cc1 ZINC000431498550 1028009190 /nfs/dbraw/zinc/00/91/90/1028009190.db2.gz ABJNAEORJZNSTF-MQMHXKEQSA-N -1 0 326.400 3.519 20 0 EHADRM O=S(=O)([N-]c1ccc2cccc(Cl)c2n1)c1ccc(F)cc1 ZINC000502406236 1028180365 /nfs/dbraw/zinc/18/03/65/1028180365.db2.gz RSGGPBQULKTBJO-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM COc1cc(C(=O)N(C)CCCOc2ccccc2)cc(Cl)c1O ZINC000153566861 1028203092 /nfs/dbraw/zinc/20/30/92/1028203092.db2.gz NKJLMHJEJYJTDU-UHFFFAOYSA-N -1 0 349.814 3.595 20 0 EHADRM CCOc1cc(C)ccc1NS(=O)(=O)c1ccc(OC)cc1C ZINC000614852821 1028225281 /nfs/dbraw/zinc/22/52/81/1028225281.db2.gz RCNLLUDIBYTZTG-UHFFFAOYSA-N -1 0 335.425 3.512 20 0 EHADRM C[C@H](c1ccc(F)cc1)N(C)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000136046730 1028230886 /nfs/dbraw/zinc/23/08/86/1028230886.db2.gz JBORMYNTMFAZDO-CYBMUJFWSA-N -1 0 339.370 3.550 20 0 EHADRM CC(C)[C@H]1CCCN(C(=O)N=c2[n-]nc(/C=C/c3ccco3)s2)C1 ZINC000444871246 1028349725 /nfs/dbraw/zinc/34/97/25/1028349725.db2.gz IPNLHKAQBAJPRX-GWJCSSMESA-N -1 0 346.456 3.623 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N[C@H]2CCC[C@@H]2c2ccccc2)s1 ZINC000523585462 1028453762 /nfs/dbraw/zinc/45/37/62/1028453762.db2.gz JZGBLJUFUHTGAX-OLZOCXBDSA-N -1 0 348.497 3.530 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)Nc2ccccc2OCC)s1 ZINC000502667071 1028528304 /nfs/dbraw/zinc/52/83/04/1028528304.db2.gz WHNWXUDRTGRDES-UHFFFAOYSA-N -1 0 334.445 3.735 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Cn1ccc2ccc(Cl)cc21 ZINC000237987524 1028545127 /nfs/dbraw/zinc/54/51/27/1028545127.db2.gz YZSQTZSVSVWTLK-OAHLLOKOSA-N -1 0 348.830 3.541 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000236834536 1028590460 /nfs/dbraw/zinc/59/04/60/1028590460.db2.gz JERGZVWCSWAVQI-CHWSQXEVSA-N -1 0 343.345 3.569 20 0 EHADRM C[C@@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC000261892049 1028591384 /nfs/dbraw/zinc/59/13/84/1028591384.db2.gz ZUSWBVMLEAMIBH-BBBLOLIVSA-N -1 0 330.211 3.672 20 0 EHADRM CCCCO[C@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000236859724 1028593227 /nfs/dbraw/zinc/59/32/27/1028593227.db2.gz QLQOWKVRRWBCDI-RHSMWYFYSA-N -1 0 349.471 3.821 20 0 EHADRM O=c1nc(Cc2ccon2)[n-]c2cc(-c3ccccc3Cl)sc21 ZINC000150715821 1028616426 /nfs/dbraw/zinc/61/64/26/1028616426.db2.gz YZESJAVCZMPPJU-UHFFFAOYSA-N -1 0 343.795 3.884 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)[C@H](C)c1ccccc1F ZINC000237483735 1028652240 /nfs/dbraw/zinc/65/22/40/1028652240.db2.gz BTKPXRWQGNZSIH-CXAGYDPISA-N -1 0 329.371 3.570 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1ccc(OC(F)F)cc1 ZINC000237663506 1028658675 /nfs/dbraw/zinc/65/86/75/1028658675.db2.gz FDJFAWQANMSIGH-HNNXBMFYSA-N -1 0 349.333 3.542 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)CC(C)(C)c1ccccc1 ZINC000237644328 1028658965 /nfs/dbraw/zinc/65/89/65/1028658965.db2.gz RNQZGFPZJWHWCK-SFHVURJKSA-N -1 0 339.435 3.995 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)CSc1ccc(F)cc1 ZINC000237651052 1028659903 /nfs/dbraw/zinc/65/99/03/1028659903.db2.gz PPPVZCOWAFUIDP-INIZCTEOSA-N -1 0 347.411 3.558 20 0 EHADRM Cc1ccc2cc(C(=O)N[C@H](CC(=O)[O-])c3ccccc3C)[nH]c2c1 ZINC000237892368 1028671505 /nfs/dbraw/zinc/67/15/05/1028671505.db2.gz LANZZJQXQCHPPP-QGZVFWFLSA-N -1 0 336.391 3.731 20 0 EHADRM CC(C)Cn1cc(N=c2nc(C(F)(F)F)[n-]s2)c(C(F)F)n1 ZINC000557642618 1028743932 /nfs/dbraw/zinc/74/39/32/1028743932.db2.gz BOPITYYOLQTWQO-UHFFFAOYSA-N -1 0 341.309 3.513 20 0 EHADRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2c(F)cc(C)cc2F)c1C ZINC000424069750 1028774399 /nfs/dbraw/zinc/77/43/99/1028774399.db2.gz QOMFYAQSZGBYOK-SNVBAGLBSA-N -1 0 343.399 3.550 20 0 EHADRM COc1cc(N=c2[n-]nc(C(F)(F)F)s2)ccc1OC(C)C ZINC000583088741 1028786432 /nfs/dbraw/zinc/78/64/32/1028786432.db2.gz UXOKXMPUMDZFKC-UHFFFAOYSA-N -1 0 333.335 3.518 20 0 EHADRM CC[C@H](NC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])C1CCCCC1 ZINC000327418738 1028801027 /nfs/dbraw/zinc/80/10/27/1028801027.db2.gz OBZRCYIOQGHGAT-ROUUACIJSA-N -1 0 344.455 3.566 20 0 EHADRM CC(C)(C)OC(=O)Cc1cccc(NC(=O)c2ccc(F)cc2[O-])c1 ZINC000532761273 1028809580 /nfs/dbraw/zinc/80/95/80/1028809580.db2.gz KZOIJPVVPKWBJW-UHFFFAOYSA-N -1 0 345.370 3.668 20 0 EHADRM COc1ccccc1-c1nc(CN2CCC[C@H](C)[C@@H]2C(=O)[O-])cs1 ZINC000424267568 1028923987 /nfs/dbraw/zinc/92/39/87/1028923987.db2.gz KIWZLYZWHRJAEI-BLLLJJGKSA-N -1 0 346.452 3.504 20 0 EHADRM Brc1cccc([C@@H]2C[C@H]2N=c2[n-]nc(C3CC3)s2)c1 ZINC000532883356 1028977047 /nfs/dbraw/zinc/97/70/47/1028977047.db2.gz IHWICXXSCNHHKR-NWDGAFQWSA-N -1 0 336.258 3.568 20 0 EHADRM CC(C)c1noc(=NCC2(c3cccc(C(F)(F)F)c3)CC2)[n-]1 ZINC000524241948 1029018393 /nfs/dbraw/zinc/01/83/93/1029018393.db2.gz LLWMAEXQADGZAJ-UHFFFAOYSA-N -1 0 325.334 3.777 20 0 EHADRM CCC(CC)(CNC(=O)Nc1c(F)cc(Cl)c(C)c1F)C(=O)[O-] ZINC000424382578 1029036143 /nfs/dbraw/zinc/03/61/43/1029036143.db2.gz OCTHMKGABDYVPN-UHFFFAOYSA-N -1 0 348.777 3.939 20 0 EHADRM Cc1ccc(C)c(C(=O)NCC2(c3ccccc3)CCC2)c1C(=O)[O-] ZINC000634856556 1029040993 /nfs/dbraw/zinc/04/09/93/1029040993.db2.gz UISSZJBYDAZMPT-UHFFFAOYSA-N -1 0 337.419 3.853 20 0 EHADRM C[C@H](c1ccc(F)cc1)N(C)C(=O)[C@@](C)(CC(=O)[O-])c1ccsc1 ZINC000634855875 1029050214 /nfs/dbraw/zinc/05/02/14/1029050214.db2.gz YEDVZIIABLCLPM-XIKOKIGWSA-N -1 0 349.427 3.839 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000237392181 1029124121 /nfs/dbraw/zinc/12/41/21/1029124121.db2.gz GKBZHXBYFNBIFN-WDEREUQCSA-N -1 0 331.334 3.569 20 0 EHADRM O=C([N-]c1cccc2nonc21)c1sc(Cl)nc1C(F)(F)F ZINC001272098409 1029185765 /nfs/dbraw/zinc/18/57/65/1029185765.db2.gz QTDZJRUSXBPDDX-UHFFFAOYSA-N -1 0 348.693 3.604 20 0 EHADRM CCN(C(=O)[C@@H]1CCC[C@@H]1C(=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000634870977 1029199021 /nfs/dbraw/zinc/19/90/21/1029199021.db2.gz YMZLDYWEZNUMSF-YUELXQCFSA-N -1 0 329.396 3.843 20 0 EHADRM Cc1ccc(C)c(C(=O)N[C@H]2CCCOc3ccccc32)c1C(=O)[O-] ZINC000634875709 1029242386 /nfs/dbraw/zinc/24/23/86/1029242386.db2.gz VPNHLDITKSFTQW-HNNXBMFYSA-N -1 0 339.391 3.645 20 0 EHADRM CC(C)(C)n1nc(C(=O)NCCCCCCCC(=O)[O-])cc1C1CC1 ZINC000271957480 1029243663 /nfs/dbraw/zinc/24/36/63/1029243663.db2.gz LPPBHSRZGYACDZ-UHFFFAOYSA-N -1 0 349.475 3.671 20 0 EHADRM CN(C(=O)Nc1ccc(F)c(Cl)c1)C1(C(=O)[O-])CCCCC1 ZINC000320175889 1029256079 /nfs/dbraw/zinc/25/60/79/1029256079.db2.gz OKOONKWQEFGVSC-UHFFFAOYSA-N -1 0 328.771 3.730 20 0 EHADRM Cc1cc(=NC(=O)c2csc(-c3ccccc3Cl)n2)[n-]nc1C ZINC000524513657 1029262425 /nfs/dbraw/zinc/26/24/25/1029262425.db2.gz VFASEMFPISDAKS-UHFFFAOYSA-N -1 0 344.827 3.545 20 0 EHADRM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000524549260 1029294455 /nfs/dbraw/zinc/29/44/55/1029294455.db2.gz SPUDJKSDTQSKSC-UHFFFAOYSA-N -1 0 345.827 3.674 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)c2ccc3c(c2)CCCC3)sc1C(=O)[O-] ZINC000237351974 1029356339 /nfs/dbraw/zinc/35/63/39/1029356339.db2.gz OPAOXUNAUCREFJ-LLVKDONJSA-N -1 0 344.436 3.520 20 0 EHADRM Cc1ccc(OC2CCN(C(=O)c3c([O-])cccc3F)CC2)cc1 ZINC000125021196 1029399109 /nfs/dbraw/zinc/39/91/09/1029399109.db2.gz HLPYVTUZLPRYLI-UHFFFAOYSA-N -1 0 329.371 3.523 20 0 EHADRM CCc1oc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)cc1C(=O)[O-] ZINC000261607100 1029460557 /nfs/dbraw/zinc/46/05/57/1029460557.db2.gz DSDKWQYYGLIGEZ-DZGCQCFKSA-N -1 0 341.407 3.806 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)/C=C/c1ccc(Cl)s1 ZINC000692410523 1029463980 /nfs/dbraw/zinc/46/39/80/1029463980.db2.gz ZIFVSCANEQTKNS-VQHVLOKHSA-N -1 0 349.839 3.918 20 0 EHADRM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)cc1 ZINC000513817752 1029517807 /nfs/dbraw/zinc/51/78/07/1029517807.db2.gz ODMOBRSDBDQUMU-UHFFFAOYSA-N -1 0 341.816 3.635 20 0 EHADRM Cc1ccc(Cl)c(NC(=O)c2nn(-c3ccccc3)cc2[O-])c1 ZINC000162274833 1029522647 /nfs/dbraw/zinc/52/26/47/1029522647.db2.gz APQGPQMBSJUYTG-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000050921317 1029543640 /nfs/dbraw/zinc/54/36/40/1029543640.db2.gz KZRJBLAWDVMLNO-NSHDSACASA-N -1 0 330.211 3.853 20 0 EHADRM Cc1ccc(C2=CCN(C(=O)c3cc(F)c([O-])c(Cl)c3)CC2)cn1 ZINC000446295595 1029559069 /nfs/dbraw/zinc/55/90/69/1029559069.db2.gz OUFDMKBKFOWCCK-UHFFFAOYSA-N -1 0 346.789 3.818 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])C(=O)N[C@@H](c1cccc(C)c1)C(F)(F)F ZINC000634905059 1029566443 /nfs/dbraw/zinc/56/64/43/1029566443.db2.gz FMTUKGFWOBWJNZ-ZFWWWQNUSA-N -1 0 331.334 3.606 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cc1OCC1CC1)c1ccccc1F ZINC000524853342 1029567344 /nfs/dbraw/zinc/56/73/44/1029567344.db2.gz VHWISXIMICVOPH-UHFFFAOYSA-N -1 0 339.363 3.554 20 0 EHADRM CCC(CC)n1nc(C(=O)Nc2cc(C(C)=O)ccc2[O-])cc1C ZINC000272689534 1029567637 /nfs/dbraw/zinc/56/76/37/1029567637.db2.gz PASDPBSAXIKRPJ-UHFFFAOYSA-N -1 0 329.400 3.713 20 0 EHADRM Cc1c([C@@H](C)N=c2[n-]c(C3CCC3)no2)cnn1-c1ccc(F)cc1 ZINC000583303536 1029609079 /nfs/dbraw/zinc/60/90/79/1029609079.db2.gz UPOSKQVHYDILJK-LLVKDONJSA-N -1 0 341.390 3.565 20 0 EHADRM CN(C(=O)c1[nH]c2ccccc2c1Cl)C1(C(=O)[O-])CCCCC1 ZINC000262727847 1029628071 /nfs/dbraw/zinc/62/80/71/1029628071.db2.gz GXUUEHJDSLBPFM-UHFFFAOYSA-N -1 0 334.803 3.681 20 0 EHADRM Cc1cc(NC(=O)CC2(C(=O)[O-])CCC2)ccc1Oc1cccnc1 ZINC000262726814 1029628212 /nfs/dbraw/zinc/62/82/12/1029628212.db2.gz GUQKINONYDXTMJ-UHFFFAOYSA-N -1 0 340.379 3.766 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@@H](C)Cc2cccc(Cl)c2)cc1C(=O)[O-] ZINC000262791089 1029634190 /nfs/dbraw/zinc/63/41/90/1029634190.db2.gz PSCIYRWHTFISRP-NSHDSACASA-N -1 0 349.814 3.777 20 0 EHADRM Cc1ccc(CCCCC(=O)N2CC[C@](C(=O)[O-])(C(C)C)C2)cc1 ZINC000262811724 1029638813 /nfs/dbraw/zinc/63/88/13/1029638813.db2.gz DLZPOVRBFVVGHD-HXUWFJFHSA-N -1 0 331.456 3.667 20 0 EHADRM C[C@H](CC(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000262829608 1029642185 /nfs/dbraw/zinc/64/21/85/1029642185.db2.gz FUAWEUCMDLCKSB-LZQZEXGQSA-N -1 0 337.419 3.507 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N[C@@](C)(CC(=O)[O-])C(C)C ZINC000262882448 1029648180 /nfs/dbraw/zinc/64/81/80/1029648180.db2.gz GXJWEDUUBAJFLB-KRWDZBQOSA-N -1 0 337.416 3.968 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000262925811 1029652199 /nfs/dbraw/zinc/65/21/99/1029652199.db2.gz JFZBJXPWVPJBLT-FUHWJXTLSA-N -1 0 331.456 3.891 20 0 EHADRM Cc1cc(NC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c(Cl)cc1F ZINC000262988422 1029653908 /nfs/dbraw/zinc/65/39/08/1029653908.db2.gz DEVMGRCPENFFGP-MGPLVRAMSA-N -1 0 340.782 3.506 20 0 EHADRM C[C@H](C(=O)N1CCCC[C@H]1CCC(=O)[O-])c1ccc(Cl)s1 ZINC000262992184 1029654096 /nfs/dbraw/zinc/65/40/96/1029654096.db2.gz SRJXZQAMCUGEGD-QWRGUYRKSA-N -1 0 329.849 3.751 20 0 EHADRM CCc1cc(C)cc(CC)c1NC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000263020942 1029657076 /nfs/dbraw/zinc/65/70/76/1029657076.db2.gz JEZRRLJJHFZKNC-OXJNMPFZSA-N -1 0 344.455 3.838 20 0 EHADRM CCC(CC)c1cc(C(=O)Nc2ccc(C(=O)[O-])c(OC)c2)on1 ZINC000263088991 1029665974 /nfs/dbraw/zinc/66/59/74/1029665974.db2.gz ZWGYLVHHIQMHRJ-UHFFFAOYSA-N -1 0 332.356 3.537 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000263111382 1029667543 /nfs/dbraw/zinc/66/75/43/1029667543.db2.gz URYLQHIEJRLYHB-SNVBAGLBSA-N -1 0 346.254 3.789 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(c2ccnc3ccc(Br)cc32)C1 ZINC000263152119 1029669845 /nfs/dbraw/zinc/66/98/45/1029669845.db2.gz HOEXJVUEWATCPM-QWRGUYRKSA-N -1 0 349.228 3.544 20 0 EHADRM C[C@@H]1C[C@H](CC(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)CC(C)(C)C1 ZINC000263158741 1029670490 /nfs/dbraw/zinc/67/04/90/1029670490.db2.gz XWZNGXZQRQWKTI-XHBSWPGZSA-N -1 0 349.393 3.705 20 0 EHADRM Cc1cc2c(cc1C)[C@H](C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1)CO2 ZINC000263207997 1029674810 /nfs/dbraw/zinc/67/48/10/1029674810.db2.gz KZXPLRVOEMAWKQ-SUMWQHHRSA-N -1 0 339.391 3.606 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000263220399 1029675899 /nfs/dbraw/zinc/67/58/99/1029675899.db2.gz YQCRNAVUZOTXEM-HUUCEWRRSA-N -1 0 333.428 3.581 20 0 EHADRM CCc1ccc(C(C)(C)C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000263294371 1029684953 /nfs/dbraw/zinc/68/49/53/1029684953.db2.gz SAIZWOCONKXQPE-UHFFFAOYSA-N -1 0 325.408 3.792 20 0 EHADRM CC[C@H](CC(=O)N1CCCC[C@H]1CCC(=O)[O-])c1ccc(OC)cc1 ZINC000263318834 1029687999 /nfs/dbraw/zinc/68/79/99/1029687999.db2.gz ZXGKIXJKVZHOLH-WBVHZDCISA-N -1 0 347.455 3.825 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000263319406 1029688315 /nfs/dbraw/zinc/68/83/15/1029688315.db2.gz IJXUMIHVAXJALK-CRAIPNDOSA-N -1 0 337.419 3.640 20 0 EHADRM COc1ccccc1C1(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)CC1 ZINC000263362703 1029691830 /nfs/dbraw/zinc/69/18/30/1029691830.db2.gz YUPCQRMIFRXASJ-CYBMUJFWSA-N -1 0 339.391 3.554 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000263363239 1029692092 /nfs/dbraw/zinc/69/20/92/1029692092.db2.gz YZMJRYAZOKVWEH-KBPBESRZSA-N -1 0 333.428 3.941 20 0 EHADRM CCc1c(C)sc(NC(=O)CC[C@@H]2CC[C@H](C)O2)c1C(=O)[O-] ZINC000263401033 1029694216 /nfs/dbraw/zinc/69/42/16/1029694216.db2.gz FFRHYWITJGAVKM-ONGXEEELSA-N -1 0 325.430 3.603 20 0 EHADRM C[C@@H](NC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccc(F)c2ccccc21 ZINC000263432188 1029697445 /nfs/dbraw/zinc/69/74/45/1029697445.db2.gz ZBXYMQXBAGKWNG-BLVKFPJESA-N -1 0 344.386 3.546 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)N(C)[C@H]2CC[C@H](C)C2)s[n-]1 ZINC000583358502 1029701285 /nfs/dbraw/zinc/70/12/85/1029701285.db2.gz RSXADBYSDYIOPN-ONGXEEELSA-N -1 0 336.486 3.649 20 0 EHADRM CCN(C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1)[C@H](C)C(C)C ZINC000263494641 1029703410 /nfs/dbraw/zinc/70/34/10/1029703410.db2.gz SKPDVDGFWHDLQL-NVXWUHKLSA-N -1 0 334.460 3.539 20 0 EHADRM CCc1oc(C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1C(=O)[O-] ZINC000263512585 1029705023 /nfs/dbraw/zinc/70/50/23/1029705023.db2.gz CTXPCLBCEIKESN-TZMCWYRMSA-N -1 0 345.370 3.745 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000263525907 1029709542 /nfs/dbraw/zinc/70/95/42/1029709542.db2.gz JTXNPKCFNXWJES-XUVXKRRUSA-N -1 0 349.430 3.722 20 0 EHADRM CO[C@@H](C)c1nc(=NC(=O)C2=C(c3ccccc3)CCCC2)s[n-]1 ZINC000583367773 1029718594 /nfs/dbraw/zinc/71/85/94/1029718594.db2.gz OYMDENZJUFTADL-LBPRGKRZSA-N -1 0 343.452 3.634 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)N=c2[n-]nc3cc(C)ccn32)cc1 ZINC000446649297 1029746103 /nfs/dbraw/zinc/74/61/03/1029746103.db2.gz TWXLWZPQYPSNNK-UHFFFAOYSA-N -1 0 348.431 3.749 20 0 EHADRM CSc1nc(=NC(=O)c2ccc(Oc3ccccc3)cc2)s[n-]1 ZINC000525332465 1029796590 /nfs/dbraw/zinc/79/65/90/1029796590.db2.gz NYOWZJAPOAMOKA-UHFFFAOYSA-N -1 0 343.433 3.727 20 0 EHADRM Cc1noc(C)c1[N-]S(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000080308983 1029799825 /nfs/dbraw/zinc/79/98/25/1029799825.db2.gz AVCMGLZKJKCTLG-UHFFFAOYSA-N -1 0 342.829 3.960 20 0 EHADRM CC(C)c1cc([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)no1 ZINC000446808585 1029805922 /nfs/dbraw/zinc/80/59/22/1029805922.db2.gz CYJXWPGBDXPUNV-UHFFFAOYSA-N -1 0 332.784 3.532 20 0 EHADRM C[C@H]1C[C@H](CSc2n[n-]c(=NC3CCCCC3)s2)CCO1 ZINC000447104703 1029942026 /nfs/dbraw/zinc/94/20/26/1029942026.db2.gz BEKVPWOAIVWIEP-NWDGAFQWSA-N -1 0 327.519 3.612 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000120247465 1029961796 /nfs/dbraw/zinc/96/17/96/1029961796.db2.gz XCVGWTWRPMJVGB-KGLIPLIRSA-N -1 0 331.318 3.714 20 0 EHADRM CO[C@H](C)c1nc(=NCC2(c3ccc(Cl)cc3)CCC2)s[n-]1 ZINC000509695237 1029969292 /nfs/dbraw/zinc/96/92/92/1029969292.db2.gz CNJVWSVXEPDGNW-LLVKDONJSA-N -1 0 337.876 3.855 20 0 EHADRM CCCS(=O)(=O)Nc1ccc(-c2ccc(OC)c(Cl)c2)cn1 ZINC000481845955 1030039841 /nfs/dbraw/zinc/03/98/41/1030039841.db2.gz IQQBTYMBPSTJKX-UHFFFAOYSA-N -1 0 340.832 3.562 20 0 EHADRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1O ZINC000447264267 1030053842 /nfs/dbraw/zinc/05/38/42/1030053842.db2.gz LIZXMRMOMCPKLE-UHFFFAOYSA-N -1 0 348.207 3.508 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nc3cc(F)c(C)cc3s2)cc1 ZINC000481863820 1030057536 /nfs/dbraw/zinc/05/75/36/1030057536.db2.gz GHNONYIDEZWURR-UHFFFAOYSA-N -1 0 336.413 3.853 20 0 EHADRM CCc1cc(=O)[nH]c(CN[C@H](c2ccccc2)c2ccc(F)cc2)n1 ZINC000120600319 1030070626 /nfs/dbraw/zinc/07/06/26/1030070626.db2.gz ZDTJLPOQEINOLQ-HXUWFJFHSA-N -1 0 337.398 3.763 20 0 EHADRM C[C@H]1C[C@@H](CSc2n[n-]c(=Nc3cccc(F)c3)s2)CCO1 ZINC000447305109 1030101300 /nfs/dbraw/zinc/10/13/00/1030101300.db2.gz KPCWOBRSSHGRRY-QWRGUYRKSA-N -1 0 339.461 3.750 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N3[C@@H](C)CC[C@@H]3C)s2)c1 ZINC000481956654 1030132732 /nfs/dbraw/zinc/13/27/32/1030132732.db2.gz LPZUYXUFYAYCCI-STQMWFEESA-N -1 0 330.457 3.649 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N3C[C@@H](C)C[C@@H]3C)s2)c1 ZINC000481953605 1030133728 /nfs/dbraw/zinc/13/37/28/1030133728.db2.gz XYFCHGTYXCCWBJ-STQMWFEESA-N -1 0 330.457 3.506 20 0 EHADRM CCC[C@H](C)N(C)C(=O)N=c1[n-]nc(-c2cc(C)cc(C)c2)s1 ZINC000481944657 1030135215 /nfs/dbraw/zinc/13/52/15/1030135215.db2.gz HPACTESRCLFBBZ-ZDUSSCGKSA-N -1 0 332.473 3.896 20 0 EHADRM CC[C@H](C)CN(CC)C(=O)N=c1[n-]nc(-c2ccc(OC)cc2)s1 ZINC000481966307 1030146986 /nfs/dbraw/zinc/14/69/86/1030146986.db2.gz WDBWEFODYIFFFQ-LBPRGKRZSA-N -1 0 348.472 3.536 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C)c(Cl)c2)c1 ZINC000532003198 1030220945 /nfs/dbraw/zinc/22/09/45/1030220945.db2.gz MQJBGAAAAOIIJC-INIZCTEOSA-N -1 0 347.798 3.603 20 0 EHADRM COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000583597013 1030231050 /nfs/dbraw/zinc/23/10/50/1030231050.db2.gz PCJSNSXOBBPWST-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM CCCCS(=O)(=O)[N-]C(=O)[C@H](C)Sc1ccc(Cl)cc1 ZINC000042344325 1030253423 /nfs/dbraw/zinc/25/34/23/1030253423.db2.gz IHJPBJJOLMJPRF-JTQLQIEISA-N -1 0 335.878 3.907 20 0 EHADRM Cc1ncc(S(=O)(=O)[N-]c2cccc(OC3CCCC3)c2)s1 ZINC000532025510 1030259747 /nfs/dbraw/zinc/25/97/47/1030259747.db2.gz GKGLWSLJTZYSKF-UHFFFAOYSA-N -1 0 338.454 3.574 20 0 EHADRM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000278344143 1030281490 /nfs/dbraw/zinc/28/14/90/1030281490.db2.gz NUTDEYRKVGKYER-SNVBAGLBSA-N -1 0 339.716 3.988 20 0 EHADRM CCNC(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2[O-])c1C ZINC000447649911 1030404001 /nfs/dbraw/zinc/40/40/01/1030404001.db2.gz MMNCLYPSFSPAEK-UHFFFAOYSA-N -1 0 347.802 3.748 20 0 EHADRM CCCOc1ccc(CN=c2[n-]nc(C(C)(C)C)s2)cc1OC ZINC000532122201 1030415606 /nfs/dbraw/zinc/41/56/06/1030415606.db2.gz STFWLVHIBXIMMT-UHFFFAOYSA-N -1 0 335.473 3.667 20 0 EHADRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cccc3ncccc32)n[nH]1 ZINC000162942302 1030460839 /nfs/dbraw/zinc/46/08/39/1030460839.db2.gz WXEDWCKBPSHBNE-GFCCVEGCSA-N -1 0 344.440 3.662 20 0 EHADRM O=C(NCc1nc2ccccc2s1)c1cc(F)c([O-])c(Cl)c1 ZINC000194382836 1030473562 /nfs/dbraw/zinc/47/35/62/1030473562.db2.gz CQYTURHFPRROLM-UHFFFAOYSA-N -1 0 336.775 3.724 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)c3sc(C(C)(C)C)nc3C)[nH][n-]2)o1 ZINC000447803834 1030489210 /nfs/dbraw/zinc/48/92/10/1030489210.db2.gz UVXNZKGYJOBGFN-UHFFFAOYSA-N -1 0 344.440 3.715 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)Nc1cccc(F)c1F)C1CCCCC1 ZINC000237615554 1030519276 /nfs/dbraw/zinc/51/92/76/1030519276.db2.gz QRFQXSQLXHKNEX-QGZVFWFLSA-N -1 0 325.355 3.965 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])NC(=O)CCCC2CCCC2)c1 ZINC000532258847 1030524004 /nfs/dbraw/zinc/52/40/04/1030524004.db2.gz NSBFAUVYYAUOIH-QGZVFWFLSA-N -1 0 333.428 3.688 20 0 EHADRM CCCC[C@H](CC)C(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000447893117 1030573301 /nfs/dbraw/zinc/57/33/01/1030573301.db2.gz KVHNBDLYSCUIDU-YVEFUNNKSA-N -1 0 348.418 3.635 20 0 EHADRM C[C@H]1CN(C(=O)c2cccc(Br)c2[O-])c2ccccc2O1 ZINC000537641127 1030592179 /nfs/dbraw/zinc/59/21/79/1030592179.db2.gz NKNHHFZVAWKJMB-JTQLQIEISA-N -1 0 348.196 3.582 20 0 EHADRM O=C([N-]c1nnc(C(F)F)s1)c1nc(-c2ccccc2)cs1 ZINC000193929342 1030631168 /nfs/dbraw/zinc/63/11/68/1030631168.db2.gz SVDQRSMUHNXLMS-UHFFFAOYSA-N -1 0 338.364 3.852 20 0 EHADRM CC(C)CN(C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])C(C)C ZINC000193969726 1030635239 /nfs/dbraw/zinc/63/52/39/1030635239.db2.gz UJWGVZGETFNMIM-UHFFFAOYSA-N -1 0 335.835 3.738 20 0 EHADRM CC(C)[C@H]1CCCCN1C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000447990421 1030643556 /nfs/dbraw/zinc/64/35/56/1030643556.db2.gz MLTOJDLDRXZEQM-GFCCVEGCSA-N -1 0 336.486 3.731 20 0 EHADRM C[C@@H]1CCC[C@H](C)N(C(=O)N=c2nc(-c3ccsc3)[n-]s2)C1 ZINC000448005914 1030662276 /nfs/dbraw/zinc/66/22/76/1030662276.db2.gz XIHHLMMPKCHUFP-MNOVXSKESA-N -1 0 336.486 3.731 20 0 EHADRM O=C(Nc1nnn[n-]1)c1sc2cc(Cl)cc(Cl)c2c1Cl ZINC000060850211 1030691937 /nfs/dbraw/zinc/69/19/37/1030691937.db2.gz QZESYVXRNQGPES-UHFFFAOYSA-N -1 0 348.602 3.627 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N1CC[C@@H](C)C(C)(C)C1)C(=O)[O-] ZINC000262758097 1030703936 /nfs/dbraw/zinc/70/39/36/1030703936.db2.gz KLOMZMSBCVOMSS-CHWSQXEVSA-N -1 0 335.469 3.760 20 0 EHADRM CCC(CC)(CC(=O)NCc1ccc(-c2ccco2)cc1F)C(=O)[O-] ZINC000448110017 1030732779 /nfs/dbraw/zinc/73/27/79/1030732779.db2.gz QUDMKYNMNDKLGW-UHFFFAOYSA-N -1 0 347.386 3.983 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000448159270 1030780097 /nfs/dbraw/zinc/78/00/97/1030780097.db2.gz LSYRXEHLSIVJHO-KRWDZBQOSA-N -1 0 342.830 3.702 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)c1ccn(C2CCCCC2)n1 ZINC000527318618 1030788907 /nfs/dbraw/zinc/78/89/07/1030788907.db2.gz DJYYGIMSMXSOFH-UHFFFAOYSA-N -1 0 347.422 3.520 20 0 EHADRM O=S(=O)(N[C@@H](c1cccs1)c1ccc(F)cc1)c1ccco1 ZINC000527326935 1030799082 /nfs/dbraw/zinc/79/90/82/1030799082.db2.gz QMFCHWVPQQDNIO-OAHLLOKOSA-N -1 0 337.397 3.548 20 0 EHADRM Cc1cc(C)cc(C2(C(=O)N=c3nc(C(C)(C)C)[n-]s3)CC2)c1 ZINC000550993535 1030871148 /nfs/dbraw/zinc/87/11/48/1030871148.db2.gz RNEAMEYTQQSVSR-UHFFFAOYSA-N -1 0 329.469 3.545 20 0 EHADRM C[C@@H]1C[C@H](N=c2[n-]nc(-c3cc(Cl)cc(Cl)c3)s2)CCO1 ZINC000537674252 1030943400 /nfs/dbraw/zinc/94/34/00/1030943400.db2.gz YBVAEPKNUIZDME-PRHODGIISA-N -1 0 344.267 3.913 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)NCc1ccc(Cl)s1 ZINC000448351929 1030999638 /nfs/dbraw/zinc/99/96/38/1030999638.db2.gz SNHBYESXUHZGSX-UHFFFAOYSA-N -1 0 344.827 3.602 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2F)c(C)c1O ZINC000551118600 1031048702 /nfs/dbraw/zinc/04/87/02/1031048702.db2.gz NSIJFFSIAJCFPK-UHFFFAOYSA-N -1 0 329.780 3.602 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cc(C(C)C)on1 ZINC000476912660 1031066279 /nfs/dbraw/zinc/06/62/79/1031066279.db2.gz IEFNPWNMBATKSD-UHFFFAOYSA-N -1 0 348.346 3.926 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)no1 ZINC000476921979 1031083862 /nfs/dbraw/zinc/08/38/62/1031083862.db2.gz JXCOBNYQGFCMIQ-UHFFFAOYSA-N -1 0 348.346 3.792 20 0 EHADRM CO[C@@H](c1ccccc1Cl)[C@@H](C)N=c1[n-]nc(C(C)C)s1 ZINC000477045352 1031212085 /nfs/dbraw/zinc/21/20/85/1031212085.db2.gz IKSXPGSLYPIPLU-ZWNOBZJWSA-N -1 0 325.865 3.925 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000161956181 1031222246 /nfs/dbraw/zinc/22/22/46/1031222246.db2.gz QPSWPSPGTPWCTB-OAHLLOKOSA-N -1 0 344.224 3.665 20 0 EHADRM Cc1cc(Cl)ncc1NC(=O)c1ccc(Br)c([O-])c1 ZINC000158289150 1031234280 /nfs/dbraw/zinc/23/42/80/1031234280.db2.gz GNGVYEYEQALZQP-UHFFFAOYSA-N -1 0 341.592 3.764 20 0 EHADRM Cc1nc(N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)ccc1Br ZINC000650776351 1031252545 /nfs/dbraw/zinc/25/25/45/1031252545.db2.gz VMJALOZUWHKMIO-OCCSQVGLSA-N -1 0 347.212 3.878 20 0 EHADRM O=C(c1c(O)cccc1Cl)N1CCCO[C@H](c2ccccc2)C1 ZINC000729863003 1031309193 /nfs/dbraw/zinc/30/91/93/1031309193.db2.gz LITCKENUOOISRT-INIZCTEOSA-N -1 0 331.799 3.649 20 0 EHADRM COc1ccc(CNc2ccc(C)c(C(=O)[O-])c2)c(OC(F)F)c1 ZINC000551421209 1031314192 /nfs/dbraw/zinc/31/41/92/1031314192.db2.gz ZKCXQPCALGMYJM-UHFFFAOYSA-N -1 0 337.322 3.915 20 0 EHADRM CC(C)c1cnc(-c2ccc([N-]S(=O)(=O)c3ccoc3)cc2)o1 ZINC000349966968 1031317523 /nfs/dbraw/zinc/31/75/23/1031317523.db2.gz AXCUNOFINKZXLS-UHFFFAOYSA-N -1 0 332.381 3.859 20 0 EHADRM CCN(Cc1ccccc1C)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000175276048 1031318170 /nfs/dbraw/zinc/31/81/70/1031318170.db2.gz DNQTUYSLVWGBMI-UHFFFAOYSA-N -1 0 335.407 3.549 20 0 EHADRM Cc1c(F)ccc(Cl)c1C(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000483816998 1031351023 /nfs/dbraw/zinc/35/10/23/1031351023.db2.gz KKCGLJWWLAVMNC-UHFFFAOYSA-N -1 0 341.773 3.919 20 0 EHADRM Cc1oc([C@@H](C)N2CCO[C@H](c3cccc(F)c3)C2)cc1C(=O)[O-] ZINC000565721485 1031374169 /nfs/dbraw/zinc/37/41/69/1031374169.db2.gz NCWCFIDQOZHSAR-DIFFPNOSSA-N -1 0 333.359 3.560 20 0 EHADRM Cc1ccccc1-n1nccc1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000194708532 1031383694 /nfs/dbraw/zinc/38/36/94/1031383694.db2.gz CNFUGIAYDWPTFP-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM C[C@H](CC(=O)N(C)[C@H](C)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000584006093 1031397607 /nfs/dbraw/zinc/39/76/07/1031397607.db2.gz YRBQFIYFUKAOEC-GHMZBOCLSA-N -1 0 331.334 3.521 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1n[nH]c(C)c1-c1ccccc1 ZINC000536193005 1031440337 /nfs/dbraw/zinc/44/03/37/1031440337.db2.gz OVFLWLIGPFSBGM-UHFFFAOYSA-N -1 0 333.438 3.556 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(OC)c2O)cc1 ZINC000484060812 1031443360 /nfs/dbraw/zinc/44/33/60/1031443360.db2.gz QADDGGUEHSFVHI-GFCCVEGCSA-N -1 0 335.425 3.715 20 0 EHADRM C[C@@H]1CCCC[C@@H]1N(C)C(=O)N=c1[n-]nc(/C=C/c2ccco2)s1 ZINC000484092243 1031448641 /nfs/dbraw/zinc/44/86/41/1031448641.db2.gz AJCYVLMSRHZTDE-MEBOZDAKSA-N -1 0 346.456 3.766 20 0 EHADRM C[C@@H]1CCC[C@@H](C)N(C(=O)N=c2[n-]nc(/C=C/c3ccco3)s2)C1 ZINC000484092913 1031451988 /nfs/dbraw/zinc/45/19/88/1031451988.db2.gz BUIYFGUBXCCTEZ-RYYBZQDPSA-N -1 0 346.456 3.766 20 0 EHADRM CC(C)C[C@H](C(=O)N=c1ccc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000484148263 1031469531 /nfs/dbraw/zinc/46/95/31/1031469531.db2.gz RUTFXGCSRWHQRE-ZDUSSCGKSA-N -1 0 337.345 3.686 20 0 EHADRM CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c1 ZINC000477357042 1031477138 /nfs/dbraw/zinc/47/71/38/1031477138.db2.gz CZSVEXKUCRRPFF-UHFFFAOYSA-N -1 0 347.436 3.594 20 0 EHADRM C[C@@H](Cc1nnc([N-]S(=O)(=O)c2cccs2)o1)CC(C)(C)C ZINC000194883892 1031601498 /nfs/dbraw/zinc/60/14/98/1031601498.db2.gz FVFZNCFSGSAUHU-JTQLQIEISA-N -1 0 343.474 3.547 20 0 EHADRM COc1cncc(CNc2ccc(S[C@H](C)C(=O)[O-])cc2)c1C ZINC000904019039 1031609317 /nfs/dbraw/zinc/60/93/17/1031609317.db2.gz WVPOWFPDVQJDOS-GFCCVEGCSA-N -1 0 332.425 3.576 20 0 EHADRM CC(C)Oc1cc(Cl)c(CNCC(F)(F)C(=O)[O-])cc1Cl ZINC000904032885 1031642263 /nfs/dbraw/zinc/64/22/63/1031642263.db2.gz XQWSNDDSVGRRJA-UHFFFAOYSA-N -1 0 342.169 3.590 20 0 EHADRM CCc1ncc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)s1 ZINC000904026433 1031670066 /nfs/dbraw/zinc/67/00/66/1031670066.db2.gz UECSSRGSMBKZRD-CYBMUJFWSA-N -1 0 345.251 3.928 20 0 EHADRM CCc1oc2ccccc2c1CN[C@@H](CC)c1nc(C(=O)[O-])c[nH]1 ZINC000904063936 1031690168 /nfs/dbraw/zinc/69/01/68/1031690168.db2.gz GQLHUCCEEVJVBK-ZDUSSCGKSA-N -1 0 327.384 3.657 20 0 EHADRM CC(C)c1nc(/C=C/c2cn(C)nc2-c2ccccc2)ncc1C(=O)[O-] ZINC000179722160 1031771235 /nfs/dbraw/zinc/77/12/35/1031771235.db2.gz VQJXPYJOLZFYOK-MDZDMXLPSA-N -1 0 348.406 3.869 20 0 EHADRM CCOC(=O)c1c(F)cc(F)cc1Nc1ccc(C)c(C(=O)[O-])c1 ZINC001211610157 1031778810 /nfs/dbraw/zinc/77/88/10/1031778810.db2.gz IBHGGGPODJLSKA-UHFFFAOYSA-N -1 0 335.306 3.892 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)c(F)c1 ZINC000261862790 1031825611 /nfs/dbraw/zinc/82/56/11/1031825611.db2.gz KOGBXRUMKZPBMO-UWVGGRQHSA-N -1 0 333.281 3.831 20 0 EHADRM CC[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1cc(F)ccc1F ZINC000180055100 1031837023 /nfs/dbraw/zinc/83/70/23/1031837023.db2.gz XEOPXORSRPARPG-LBPRGKRZSA-N -1 0 345.267 3.969 20 0 EHADRM O=C([O-])N[C@@H]1C[C@H](Nc2ccc(N3CCCCC3)cc2)C12CCC2 ZINC000904194991 1031841660 /nfs/dbraw/zinc/84/16/60/1031841660.db2.gz PQPSQEJKDOPJAC-DLBZAZTESA-N -1 0 329.444 3.668 20 0 EHADRM O=C([O-])N[C@H]1C[C@@H](Nc2ccc(N3CCCCC3)cc2)C12CCC2 ZINC000904194994 1031842718 /nfs/dbraw/zinc/84/27/18/1031842718.db2.gz PQPSQEJKDOPJAC-SJORKVTESA-N -1 0 329.444 3.668 20 0 EHADRM CC(C)CC(=O)Nc1ccc(N[C@H]2C[C@@H](NC(=O)[O-])C23CCC3)cc1 ZINC000904194626 1031843437 /nfs/dbraw/zinc/84/34/37/1031843437.db2.gz IOCASDWMEZXOCF-JKSUJKDBSA-N -1 0 345.443 3.662 20 0 EHADRM O=C([O-])N[C@H]1C[C@H](Nc2ccc(-n3cccn3)c(Cl)c2)C12CCC2 ZINC000904200927 1031848115 /nfs/dbraw/zinc/84/81/15/1031848115.db2.gz VUGANBVTBKTCNS-GJZGRUSLSA-N -1 0 346.818 3.516 20 0 EHADRM O=C([O-])N[C@H]1C[C@H](Nc2cccc(CC(F)(F)F)c2)C12CCC2 ZINC000904201247 1031848474 /nfs/dbraw/zinc/84/84/74/1031848474.db2.gz ZFGZFBPHWKCMDM-STQMWFEESA-N -1 0 328.334 3.782 20 0 EHADRM COc1cc(N[C@H]2C[C@@H](NC(=O)[O-])C23CCC3)cc2ccccc21 ZINC000904261520 1031908636 /nfs/dbraw/zinc/90/86/36/1031908636.db2.gz FBXTZMCYEQWBLC-DLBZAZTESA-N -1 0 326.396 3.839 20 0 EHADRM CCCN(C(=O)Nc1ccc(C)c(OC(F)F)c1)[C@H](CC)C(=O)[O-] ZINC000584210254 1031946210 /nfs/dbraw/zinc/94/62/10/1031946210.db2.gz CQGWNJMNPBXLSB-GFCCVEGCSA-N -1 0 344.358 3.704 20 0 EHADRM CC(C)c1ccc(C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000448993563 1032000441 /nfs/dbraw/zinc/00/04/41/1032000441.db2.gz NDHUUHWKBQPCAD-AWEZNQCLSA-N -1 0 331.437 3.639 20 0 EHADRM CC(C)c1ccc(C(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)s1 ZINC000448999988 1032007943 /nfs/dbraw/zinc/00/79/43/1032007943.db2.gz ZMRHYQGKDSAZCX-GJZGRUSLSA-N -1 0 343.448 3.812 20 0 EHADRM CCCc1nc(=NC(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)s[n-]1 ZINC000584260805 1032021161 /nfs/dbraw/zinc/02/11/61/1032021161.db2.gz VYJAHYKJQZMMQK-OCCSQVGLSA-N -1 0 348.447 3.509 20 0 EHADRM COc1cccc(Cl)c1CC(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000588617110 1033425127 /nfs/dbraw/zinc/42/51/27/1033425127.db2.gz KVRYVADPFHMHDP-YFHOEESVSA-N -1 0 345.782 3.628 20 0 EHADRM CCC[C@@H](C(=O)[O-])[S@](=O)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000594658953 1033494230 /nfs/dbraw/zinc/49/42/30/1033494230.db2.gz AMAGPJOIYXSZHE-WIUDPPPLSA-N -1 0 342.766 3.861 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ncc(Cc3ccccc3)s2)cc1 ZINC000594869855 1033524644 /nfs/dbraw/zinc/52/46/44/1033524644.db2.gz AIEBHEKODYQSQJ-UHFFFAOYSA-N -1 0 344.461 3.843 20 0 EHADRM C[C@@H]1CCC[C@H](C)N(C(=O)N=c2[n-]nc(Cc3ccccc3)s2)C1 ZINC000608263367 1033558551 /nfs/dbraw/zinc/55/85/51/1033558551.db2.gz CQCVKGABKLOIDY-KGLIPLIRSA-N -1 0 344.484 3.593 20 0 EHADRM O=C(Nc1nc(-c2cccc(O)c2)cs1)c1c([O-])cc(F)cc1F ZINC000608370638 1033642680 /nfs/dbraw/zinc/64/26/80/1033642680.db2.gz UFZQJKMKWUAWKH-UHFFFAOYSA-N -1 0 348.330 3.752 20 0 EHADRM Cc1cc(NC(=O)C[C@]2(C(=O)[O-])CCSC2)ccc1C(F)(F)F ZINC000608340799 1033644236 /nfs/dbraw/zinc/64/42/36/1033644236.db2.gz WPMZIBQLCRVHKB-CQSZACIVSA-N -1 0 347.358 3.550 20 0 EHADRM CN(C(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)[C@H]1CCc2ccccc21 ZINC000326670414 1033663133 /nfs/dbraw/zinc/66/31/33/1033663133.db2.gz JBTGSHLISYEXJS-GHTZIAJQSA-N -1 0 337.419 3.565 20 0 EHADRM Cc1ccnc([C@H]2CCN(C(=O)c3cc(F)c([O-])c(Cl)c3)C2)c1 ZINC000574890228 1033675111 /nfs/dbraw/zinc/67/51/11/1033675111.db2.gz SKUPUNSIYSBFRZ-NSHDSACASA-N -1 0 334.778 3.518 20 0 EHADRM CC(C)(C)C[C@H]([N-]S(=O)(=O)CCc1ccccc1)C(F)(F)F ZINC000537565029 1033695218 /nfs/dbraw/zinc/69/52/18/1033695218.db2.gz SVMNBUZQQQTKAX-ZDUSSCGKSA-N -1 0 337.407 3.516 20 0 EHADRM C[C@](CC(=O)N1CCC[C@H]1c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000326673103 1033730132 /nfs/dbraw/zinc/73/01/32/1033730132.db2.gz KDSRRIVVJLWDDZ-GHTZIAJQSA-N -1 0 337.419 3.783 20 0 EHADRM CCOc1ccccc1[C@@H](CC)NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000574992077 1033753577 /nfs/dbraw/zinc/75/35/77/1033753577.db2.gz VWMYEOWZCYSDES-VMBOVVBDSA-N -1 0 347.455 3.934 20 0 EHADRM C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(c2nc(C(=O)[O-])co2)C1 ZINC000575185232 1033884920 /nfs/dbraw/zinc/88/49/20/1033884920.db2.gz RKUBOMKECJOUBQ-RNCFNFMXSA-N -1 0 340.301 3.979 20 0 EHADRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000083956350 1033900481 /nfs/dbraw/zinc/90/04/81/1033900481.db2.gz MWOYBCCENYROAR-UHFFFAOYSA-N -1 0 345.877 3.598 20 0 EHADRM CCCC(CCC)SCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000608895614 1033947944 /nfs/dbraw/zinc/94/79/44/1033947944.db2.gz YYBFPANYQLCBAQ-UHFFFAOYSA-N -1 0 326.487 3.711 20 0 EHADRM CC(C)c1n[n-]c(=N[C@@H](COCc2ccccc2)c2ccccc2)o1 ZINC000450344490 1034151200 /nfs/dbraw/zinc/15/12/00/1034151200.db2.gz BSIMZXBMLSFPOH-SFHVURJKSA-N -1 0 337.423 3.985 20 0 EHADRM CC(C)c1csc([N-]S(=O)(=O)c2cccc3ncccc32)n1 ZINC000171151503 1034163746 /nfs/dbraw/zinc/16/37/46/1034163746.db2.gz ZBMQNDREFWOLAT-UHFFFAOYSA-N -1 0 333.438 3.616 20 0 EHADRM Cc1ccccc1C[C@@H]1CCCN1C(=O)c1c([O-])cc(F)cc1F ZINC000604088213 1034200214 /nfs/dbraw/zinc/20/02/14/1034200214.db2.gz VCVNUGJMEYBQSX-HNNXBMFYSA-N -1 0 331.362 3.826 20 0 EHADRM O=C([O-])CCC(=O)Nc1ccc(Nc2cnc(C3CC3)s2)cc1 ZINC001213183209 1034208982 /nfs/dbraw/zinc/20/89/82/1034208982.db2.gz ZFIYZZDHHNGRSI-UHFFFAOYSA-N -1 0 331.397 3.567 20 0 EHADRM COc1cc(C(=O)N2CCCc3ccccc3CC2)cc(Cl)c1O ZINC000456308760 1034313053 /nfs/dbraw/zinc/31/30/53/1034313053.db2.gz GYHZFHPBPJMOTB-UHFFFAOYSA-N -1 0 345.826 3.685 20 0 EHADRM CC(C)(CC(=O)Nc1ccc(C(F)(F)C(F)(F)F)cc1)C(=O)[O-] ZINC000604413560 1034370719 /nfs/dbraw/zinc/37/07/19/1034370719.db2.gz LXCCNDGUMPCKHE-UHFFFAOYSA-N -1 0 339.260 3.780 20 0 EHADRM COc1cc(Br)ccc1[C@H](C)N=c1[n-]nc(C(C)C)o1 ZINC000450474011 1034391128 /nfs/dbraw/zinc/39/11/28/1034391128.db2.gz JBHRIFQATVUIIG-VIFPVBQESA-N -1 0 340.221 3.559 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)CC(C)(C)C(F)(F)F)C(=O)[O-] ZINC000450495861 1034430011 /nfs/dbraw/zinc/43/00/11/1034430011.db2.gz BPIQMXKAQJVABT-GFCCVEGCSA-N -1 0 345.361 3.715 20 0 EHADRM CC(C)c1n[n-]c(=NC[C@H](OCC2CC2)c2ccc(Cl)cc2)o1 ZINC000450518915 1034455908 /nfs/dbraw/zinc/45/59/08/1034455908.db2.gz KLFPKQSFBILQNS-HNNXBMFYSA-N -1 0 335.835 3.848 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)NC[C@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC000450525473 1034478379 /nfs/dbraw/zinc/47/83/79/1034478379.db2.gz RFJYFLJFLFORLJ-IBGZPJMESA-N -1 0 347.386 3.623 20 0 EHADRM CC1(C)CN(C(=O)Cc2ccccc2C(=O)[O-])C[C@@H]1c1ccccc1 ZINC000450536969 1034510428 /nfs/dbraw/zinc/51/04/28/1034510428.db2.gz BKYOBZZYUWEDTH-GOSISDBHSA-N -1 0 337.419 3.580 20 0 EHADRM Cc1cccc(C)c1[C@H](C)NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000450538898 1034512590 /nfs/dbraw/zinc/51/25/90/1034512590.db2.gz HXLIYSVFXTUCDO-HNNXBMFYSA-N -1 0 325.408 3.812 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1O)c1ccc(F)cc1 ZINC000511336695 1034672798 /nfs/dbraw/zinc/67/27/98/1034672798.db2.gz YMMOQNVDQRXJFR-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cc(F)c(F)c(F)c1F ZINC000060517267 1034684601 /nfs/dbraw/zinc/68/46/01/1034684601.db2.gz LROLKDSZQJWGSY-UHFFFAOYSA-N -1 0 332.184 3.543 20 0 EHADRM CC(C)(C)OC1CC(Sc2n[n-]c(=NCc3ccco3)s2)C1 ZINC000450732479 1034738120 /nfs/dbraw/zinc/73/81/20/1034738120.db2.gz HXESVTBTVJPECO-UHFFFAOYSA-N -1 0 339.486 3.603 20 0 EHADRM COc1ccc(CN=c2[n-]nc(SCCC(C)(F)F)s2)cc1 ZINC000450773865 1034796896 /nfs/dbraw/zinc/79/68/96/1034796896.db2.gz NJTBMOLGWPITEW-UHFFFAOYSA-N -1 0 345.440 3.718 20 0 EHADRM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(Cl)c1O ZINC000605613260 1034802888 /nfs/dbraw/zinc/80/28/88/1034802888.db2.gz AVHVHZKJHFAPOB-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM Cc1ccc(Cl)cc1N1CC[C@@H](CN=c2[n-]c(C(C)C)no2)C1 ZINC000605693143 1034819684 /nfs/dbraw/zinc/81/96/84/1034819684.db2.gz SVXODUAGKZEPTE-ZDUSSCGKSA-N -1 0 334.851 3.515 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)CCCOc1ccccc1)c1ccccc1 ZINC000193461584 1034821074 /nfs/dbraw/zinc/82/10/74/1034821074.db2.gz OSHCQUYIEQWUMX-GOSISDBHSA-N -1 0 341.407 3.568 20 0 EHADRM COc1ccc(COCCC(=O)Nc2cccc(Cl)c2[O-])cc1 ZINC000605888116 1034838107 /nfs/dbraw/zinc/83/81/07/1034838107.db2.gz KZHZJFZFAQFXRI-UHFFFAOYSA-N -1 0 335.787 3.600 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)Nc1cccc(-c2cccs2)c1)C(=O)[O-] ZINC000601983950 1034846908 /nfs/dbraw/zinc/84/69/08/1034846908.db2.gz MWDMGXTZVVRFDE-QWRGUYRKSA-N -1 0 335.450 3.948 20 0 EHADRM CCS[C@H]1CCC[C@H](NC(=O)c2c(C)ccc(C)c2C(=O)[O-])C1 ZINC000601987960 1034849203 /nfs/dbraw/zinc/84/92/03/1034849203.db2.gz CXAWTKIXQJCEAK-KBPBESRZSA-N -1 0 335.469 3.796 20 0 EHADRM COc1ccc([C@H](NC(=O)CC2(CC(=O)[O-])CCCC2)C2CC2)cc1 ZINC000326839117 1034867405 /nfs/dbraw/zinc/86/74/05/1034867405.db2.gz KXWSOEPOLIYHEG-LJQANCHMSA-N -1 0 345.439 3.688 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)C[C@H](C(=O)[O-])c2ccccc2)c1C ZINC000606149916 1034874795 /nfs/dbraw/zinc/87/47/95/1034874795.db2.gz SNIQIUUVUMPMAW-QAPCUYQASA-N -1 0 325.408 3.739 20 0 EHADRM CCCOc1cccc(NC(=O)N(CC(=O)[O-])Cc2ccccc2)c1 ZINC000570028887 1034994187 /nfs/dbraw/zinc/99/41/87/1034994187.db2.gz AETPGJXJTSCXLG-UHFFFAOYSA-N -1 0 342.395 3.594 20 0 EHADRM O=S(=O)([N-]c1ccccc1N1CCCCC1)c1sccc1F ZINC000450969921 1034995187 /nfs/dbraw/zinc/99/51/87/1034995187.db2.gz PUEYGQKMUMSOMA-UHFFFAOYSA-N -1 0 340.445 3.678 20 0 EHADRM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cc(C)cs2)c1 ZINC000450968550 1034995384 /nfs/dbraw/zinc/99/53/84/1034995384.db2.gz KCXNGGLVNRBQMV-UHFFFAOYSA-N -1 0 341.454 3.655 20 0 EHADRM CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1cc(C)cs1 ZINC000450974270 1034998068 /nfs/dbraw/zinc/99/80/68/1034998068.db2.gz UCSGNRQNWLQCDN-UHFFFAOYSA-N -1 0 335.454 3.617 20 0 EHADRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2ncsc2C)c1 ZINC000530139957 1034999550 /nfs/dbraw/zinc/99/95/50/1034999550.db2.gz AWECZUPBANZDHU-UHFFFAOYSA-N -1 0 330.862 3.858 20 0 EHADRM O=C([O-])[C@@H]1c2ccoc2CCN1CCc1cc(Cl)ccc1Cl ZINC000530166412 1035016845 /nfs/dbraw/zinc/01/68/45/1035016845.db2.gz MMBCVZWWMCHVIN-HNNXBMFYSA-N -1 0 340.206 3.813 20 0 EHADRM CCCCc1nnc([N-]S(=O)(=O)c2ccc3cc(C)ccc3c2)o1 ZINC000451015721 1035033951 /nfs/dbraw/zinc/03/39/51/1035033951.db2.gz PNUVJZUNYMBRFX-UHFFFAOYSA-N -1 0 345.424 3.675 20 0 EHADRM CC1(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])CCCCCC1 ZINC000431679532 1035206015 /nfs/dbraw/zinc/20/60/15/1035206015.db2.gz QNMSDNTWBROYFJ-HNNXBMFYSA-N -1 0 335.419 3.546 20 0 EHADRM COC(=O)CC(C)(C)CC(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000612775547 1035214805 /nfs/dbraw/zinc/21/48/05/1035214805.db2.gz FCAYKRVLGKUYFC-UHFFFAOYSA-N -1 0 334.199 3.617 20 0 EHADRM O=C([O-])c1ccc(-c2cc(F)ccc2OC[C@@H]2CCOC2)cc1F ZINC000570409786 1035243448 /nfs/dbraw/zinc/24/34/48/1035243448.db2.gz BTVZJNCIMJSRNM-LLVKDONJSA-N -1 0 334.318 3.745 20 0 EHADRM CCON1CCC(CC(=O)Nc2cc(Cl)c([O-])c(Cl)c2)CC1 ZINC000613161054 1035430997 /nfs/dbraw/zinc/43/09/97/1035430997.db2.gz UDEJJZFDPODWTM-UHFFFAOYSA-N -1 0 347.242 3.691 20 0 EHADRM O=C([O-])[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)CCC1CCC1 ZINC000431776714 1035473644 /nfs/dbraw/zinc/47/36/44/1035473644.db2.gz SQKQGTDSRDSMNT-AWEZNQCLSA-N -1 0 344.238 3.686 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)NC1CC(c2ccccc2)C1)C(=O)[O-] ZINC000540616438 1035504898 /nfs/dbraw/zinc/50/48/98/1035504898.db2.gz ZBXSCFKXABFEKN-GPANFISMSA-N -1 0 332.444 3.511 20 0 EHADRM CCCN(C(=O)Nc1ccc2cnn(C(C)C)c2c1)[C@@H](CC)C(=O)[O-] ZINC000571503294 1035510363 /nfs/dbraw/zinc/51/03/63/1035510363.db2.gz RJDQPBRFRWVMIO-HNNXBMFYSA-N -1 0 346.431 3.724 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2occc2-c2ccc(F)cc2)c1 ZINC000431797260 1035544020 /nfs/dbraw/zinc/54/40/20/1035544020.db2.gz CKEBYHRGRVODDT-UHFFFAOYSA-N -1 0 339.322 3.965 20 0 EHADRM C[C@H](NC(=O)C[C@@](C)(C(=O)[O-])c1ccc(Cl)cc1)c1ccccc1 ZINC000414113269 1035574436 /nfs/dbraw/zinc/57/44/36/1035574436.db2.gz NRJXBLNUEMCIGD-ORAYPTAESA-N -1 0 345.826 3.950 20 0 EHADRM C[C@@H](CCOc1ccccc1)C(=O)N[C@H](CC(=O)[O-])C1CCCCC1 ZINC000540706889 1035588390 /nfs/dbraw/zinc/58/83/90/1035588390.db2.gz RNCUMJQQDHTLFS-MAUKXSAKSA-N -1 0 347.455 3.631 20 0 EHADRM CC[C@@H](NC(=O)Nc1cccc(CSC2CCCC2)c1)C(=O)[O-] ZINC000570840680 1035595941 /nfs/dbraw/zinc/59/59/41/1035595941.db2.gz UVYNNWMJZBMLNI-OAHLLOKOSA-N -1 0 336.457 3.847 20 0 EHADRM c1nc2ccccn2c1CSc1n[n-]c(=Nc2ccccc2)s1 ZINC000540730423 1035636291 /nfs/dbraw/zinc/63/62/91/1035636291.db2.gz LFRZLABPZALASU-UHFFFAOYSA-N -1 0 339.449 3.644 20 0 EHADRM Cc1ccc(F)c(NC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000571751466 1035640995 /nfs/dbraw/zinc/64/09/95/1035640995.db2.gz WZIQYEXDDSBVKU-ZDUSSCGKSA-N -1 0 330.359 3.641 20 0 EHADRM CCCCc1n[n-]c(=NCc2csc(-c3ccc(C)cc3)n2)o1 ZINC000540792595 1035685428 /nfs/dbraw/zinc/68/54/28/1035685428.db2.gz UJGRSIZOIOMPCL-UHFFFAOYSA-N -1 0 328.441 3.878 20 0 EHADRM CCCn1c(CN=c2[n-]nc(C(C)(C)C)s2)nc2ccccc21 ZINC000540807941 1035700291 /nfs/dbraw/zinc/70/02/91/1035700291.db2.gz KAOUJFYPRFRDAK-UHFFFAOYSA-N -1 0 329.473 3.629 20 0 EHADRM Cc1ccc(NC(=O)N[C@H](CC(C)C)C(=O)[O-])cc1C(F)(F)F ZINC000321378733 1035714523 /nfs/dbraw/zinc/71/45/23/1035714523.db2.gz WMWGTNQBKIPBAI-GFCCVEGCSA-N -1 0 332.322 3.635 20 0 EHADRM Cc1oc([C@H](C)N(C)Cc2nc(C(F)(F)F)cs2)cc1C(=O)[O-] ZINC000571888663 1035775032 /nfs/dbraw/zinc/77/50/32/1035775032.db2.gz QRQGEAPFJGDABR-ZETCQYMHSA-N -1 0 348.346 3.955 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1)C1CCCCC1 ZINC000588176686 1035800089 /nfs/dbraw/zinc/80/00/89/1035800089.db2.gz OPXGZPXQHQLTOZ-MBOZVWFJSA-N -1 0 347.430 3.859 20 0 EHADRM CCOc1ccccc1CNC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1 ZINC000588176535 1035801551 /nfs/dbraw/zinc/80/15/51/1035801551.db2.gz DVTDCXHHSHECAH-HXUWFJFHSA-N -1 0 347.455 3.763 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1cccc(SC(F)F)c1 ZINC000066588479 1035851857 /nfs/dbraw/zinc/85/18/57/1035851857.db2.gz PKAPIMPISCRPIF-UHFFFAOYSA-N -1 0 345.392 3.811 20 0 EHADRM O=C(CCCC1CCCC1)N=c1nc(Cc2ccccc2)[n-]s1 ZINC000463787786 1035854350 /nfs/dbraw/zinc/85/43/50/1035854350.db2.gz PHYLFBVFNOBFRU-UHFFFAOYSA-N -1 0 329.469 3.850 20 0 EHADRM CCc1ccc2nc([N-]S(=O)(=O)c3ccc(OC)cc3)sc2c1 ZINC000170552316 1035959223 /nfs/dbraw/zinc/95/92/23/1035959223.db2.gz KSOXCGFFLJNWTF-UHFFFAOYSA-N -1 0 348.449 3.668 20 0 EHADRM CCN(C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1C(F)(F)F)C(C)C ZINC000547595360 1036036034 /nfs/dbraw/zinc/03/60/34/1036036034.db2.gz JECXYNCFJJELQX-ZDUSSCGKSA-N -1 0 346.349 3.613 20 0 EHADRM O=C(N=c1[n-]ncs1)N1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000541168226 1036055077 /nfs/dbraw/zinc/05/50/77/1036055077.db2.gz HCTBJTZBTPSHKS-QDZRJHCZSA-N -1 0 334.470 3.511 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2c(C)nn(CC(C)C)c2C)cc1 ZINC000541303263 1036173178 /nfs/dbraw/zinc/17/31/78/1036173178.db2.gz WAMDXVJHUQORIX-UHFFFAOYSA-N -1 0 335.473 3.519 20 0 EHADRM COc1cc(Cl)c(Cl)cc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000190200765 1036202553 /nfs/dbraw/zinc/20/25/53/1036202553.db2.gz PSBKILBRYURXBQ-UHFFFAOYSA-N -1 0 334.199 3.832 20 0 EHADRM C[C@@H](CC(F)(F)F)C(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000457556511 1036251041 /nfs/dbraw/zinc/25/10/41/1036251041.db2.gz MDLTZUBVCDHCBC-ZETCQYMHSA-N -1 0 349.765 3.807 20 0 EHADRM CCc1cnc(CCNC(=O)c2c([O-])cc(Cl)cc2Cl)s1 ZINC000175257407 1036273848 /nfs/dbraw/zinc/27/38/48/1036273848.db2.gz KPCDOHKWISEKGP-UHFFFAOYSA-N -1 0 345.251 3.690 20 0 EHADRM CC(C)C[C@H](CNc1nc(C(F)(F)F)ccc1C#N)CC(=O)[O-] ZINC000321772137 1036275549 /nfs/dbraw/zinc/27/55/49/1036275549.db2.gz YAHHMVVQTQNOGE-JTQLQIEISA-N -1 0 329.322 3.521 20 0 EHADRM COc1cccc(S(=O)(=O)[N-]c2nc3c(s2)c(C)ccc3C)c1 ZINC000589266274 1036331690 /nfs/dbraw/zinc/33/16/90/1036331690.db2.gz RQJAPWDLCTXBHW-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000464377746 1036392105 /nfs/dbraw/zinc/39/21/05/1036392105.db2.gz VLGDXBHSKGSQBQ-BYPYZUCNSA-N -1 0 342.191 3.674 20 0 EHADRM Cc1cc(C)n(-c2ccc(NS(=O)(=O)c3ccccc3C)cc2)n1 ZINC000589429663 1036423366 /nfs/dbraw/zinc/42/33/66/1036423366.db2.gz KOLNCFQQBHRBDG-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM COc1cccc(S(=O)(=O)Nc2ccc3c4c(cccc42)CC3)c1 ZINC000589429896 1036424781 /nfs/dbraw/zinc/42/47/81/1036424781.db2.gz IMSCNFJZGPBFJV-UHFFFAOYSA-N -1 0 339.416 3.748 20 0 EHADRM Cc1nc(=NC(=O)CCCc2ccc3c(c2)-c2ccccc2C3)s[n-]1 ZINC000464431518 1036432856 /nfs/dbraw/zinc/43/28/56/1036432856.db2.gz UIEOWOILOQWNHL-UHFFFAOYSA-N -1 0 349.459 3.801 20 0 EHADRM Cc1ccc(-n2cccn2)cc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000191841016 1036449780 /nfs/dbraw/zinc/44/97/80/1036449780.db2.gz DEULZNORKRUDGO-UHFFFAOYSA-N -1 0 347.296 3.556 20 0 EHADRM CCCN(C(=O)Nc1cccc(-c2nc(C)co2)c1)[C@H](CC)C(=O)[O-] ZINC000572703060 1036459263 /nfs/dbraw/zinc/45/92/63/1036459263.db2.gz XDJFLIGSPDTINJ-OAHLLOKOSA-N -1 0 345.399 3.757 20 0 EHADRM CC[C@@](C)(NC(=O)/C=C\c1ccc(C(=O)[O-])cc1)c1nc(C)cs1 ZINC000492960740 1036460192 /nfs/dbraw/zinc/46/01/92/1036460192.db2.gz XWUYFUAEPVHRLK-IEODJVTJSA-N -1 0 344.436 3.605 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CCC[C@H](C(F)(F)F)C1 ZINC000572732866 1036476474 /nfs/dbraw/zinc/47/64/74/1036476474.db2.gz SHNLXOHZCNGVSK-QMMMGPOBSA-N -1 0 341.251 3.826 20 0 EHADRM Cc1ccc(S[C@H](C)C(=O)NCCc2ccc(C(=O)[O-])cc2)cc1 ZINC000013443242 1036603616 /nfs/dbraw/zinc/60/36/16/1036603616.db2.gz RJEIBMXADLOKEQ-CQSZACIVSA-N -1 0 343.448 3.533 20 0 EHADRM CCCOc1cccc(CC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c1 ZINC000263188725 1036612308 /nfs/dbraw/zinc/61/23/08/1036612308.db2.gz IFRKPIRXZWZAKE-AWEZNQCLSA-N -1 0 341.407 3.845 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@@H](C)CCOc2ccccc2)cc1 ZINC000263194597 1036617422 /nfs/dbraw/zinc/61/74/22/1036617422.db2.gz IZQXPUAGIYVGKJ-LSDHHAIUSA-N -1 0 341.407 3.918 20 0 EHADRM CCC[C@@H](CNC(=O)Cc1csc2ccc(Cl)cc12)C(=O)[O-] ZINC000263206220 1036630363 /nfs/dbraw/zinc/63/03/63/1036630363.db2.gz OJDKQMKRTSPVLL-JTQLQIEISA-N -1 0 339.844 3.714 20 0 EHADRM C[C@H]1CCc2c(C(=O)N=c3nc(C(C)(C)C)[n-]s3)csc2C1 ZINC000589935797 1036666560 /nfs/dbraw/zinc/66/65/60/1036666560.db2.gz APKFMOOEWSIWCU-VIFPVBQESA-N -1 0 335.498 3.696 20 0 EHADRM Cc1ccc(C(C)C)cc1OCC(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000589938298 1036666938 /nfs/dbraw/zinc/66/69/38/1036666938.db2.gz RGIAUQUNGSWGTP-UHFFFAOYSA-N -1 0 347.484 3.707 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N=c2nc(C(C)(C)C)[n-]s2)o1 ZINC000589937341 1036667563 /nfs/dbraw/zinc/66/75/63/1036667563.db2.gz LCMOLNFDHQFQPF-PWSUYJOCSA-N -1 0 333.457 3.545 20 0 EHADRM Cc1c(C(=O)N=c2nc(C(C)(C)C)[n-]s2)sc2nccc(C)c12 ZINC000589937562 1036667956 /nfs/dbraw/zinc/66/79/56/1036667956.db2.gz MZUDQMSNVGAODI-UHFFFAOYSA-N -1 0 346.481 3.736 20 0 EHADRM COc1ccc(C(=O)[O-])c(-c2ccc(O[C@@H]3CCOC3)c(C)c2)c1 ZINC000518796830 1036722832 /nfs/dbraw/zinc/72/28/32/1036722832.db2.gz BDONTOYSBQZNCF-OAHLLOKOSA-N -1 0 328.364 3.537 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 ZINC000653280385 1036754894 /nfs/dbraw/zinc/75/48/94/1036754894.db2.gz SDANWPRLFMQUFX-ZRGWGRIASA-N -1 0 339.435 3.693 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccccc2Nc2ccccc2)C1 ZINC000263319244 1036782572 /nfs/dbraw/zinc/78/25/72/1036782572.db2.gz NDAWBQGMFFRZKO-HXUWFJFHSA-N -1 0 338.407 3.757 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)cc1 ZINC000263358227 1036804158 /nfs/dbraw/zinc/80/41/58/1036804158.db2.gz XPXAYPYXSGZVOO-COLVAYQJSA-N -1 0 345.345 3.895 20 0 EHADRM C[C@H](NC(=O)c1cc2sc3ccccc3c2s1)[C@H](C)C(=O)[O-] ZINC000263382026 1036837541 /nfs/dbraw/zinc/83/75/41/1036837541.db2.gz BLPPWYFJTUPUBK-IUCAKERBSA-N -1 0 333.434 3.955 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(-c2nc(C)cs2)cc1 ZINC000653282217 1036960855 /nfs/dbraw/zinc/96/08/55/1036960855.db2.gz QPQOODWHLSJRFZ-UHFFFAOYSA-N -1 0 332.425 3.948 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C[C@H]1CCc2ccccc2C1)C1CCCCC1 ZINC000539605429 1036967006 /nfs/dbraw/zinc/96/70/06/1036967006.db2.gz TXIGAIKQMMSNLL-HNAYVOBHSA-N -1 0 343.467 3.721 20 0 EHADRM CC(C)(C)[C@H]1CN(C(=O)NC2CCC(C(=O)[O-])CC2)c2ccccc21 ZINC000263491988 1036981841 /nfs/dbraw/zinc/98/18/41/1036981841.db2.gz RLIHDVFKUCFRSF-XUJLQICISA-N -1 0 344.455 3.989 20 0 EHADRM CC[C@H]1CCc2ccccc2N1Cc1nc(=O)c2sccc2[n-]1 ZINC000178070973 1036993762 /nfs/dbraw/zinc/99/37/62/1036993762.db2.gz UGPHZSASGROIPX-ZDUSSCGKSA-N -1 0 325.437 3.716 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCc1ccc(Cl)cc1Cl ZINC000263527521 1037042002 /nfs/dbraw/zinc/04/20/02/1037042002.db2.gz UTJHUDHYLXCHHS-JQWIXIFHSA-N -1 0 344.238 3.638 20 0 EHADRM C[C@H]1C[C@H](CCN=c2[n-]nc(-c3ccccc3Cl)s2)CCO1 ZINC000546887849 1037083904 /nfs/dbraw/zinc/08/39/04/1037083904.db2.gz YPKHHQRXRMLEFJ-NWDGAFQWSA-N -1 0 337.876 3.898 20 0 EHADRM CCCCOc1cccc([N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000303093002 1037090221 /nfs/dbraw/zinc/09/02/21/1037090221.db2.gz DUGUJEIWBMTONI-UHFFFAOYSA-N -1 0 341.379 3.945 20 0 EHADRM COc1cccc(CN=c2[n-]nc(C(C)(C)C)s2)c1OC(C)C ZINC000539707769 1037096413 /nfs/dbraw/zinc/09/64/13/1037096413.db2.gz QKWJAUOLXHIBTD-UHFFFAOYSA-N -1 0 335.473 3.665 20 0 EHADRM Cc1ccc(-c2csc([N-]S(=O)(=O)c3cccc(C)c3)n2)cc1 ZINC000057719995 1037104361 /nfs/dbraw/zinc/10/43/61/1037104361.db2.gz JZEPKXVIZBOEAN-UHFFFAOYSA-N -1 0 344.461 3.650 20 0 EHADRM O=C(N=c1nc(-c2cccc(Cl)c2)[n-]s1)[C@@H]1CCCCS1 ZINC000542164108 1037140104 /nfs/dbraw/zinc/14/01/04/1037140104.db2.gz JWJXSXXTQOMXCS-NSHDSACASA-N -1 0 339.873 3.505 20 0 EHADRM O=C([O-])c1coc(C(=O)N(CCc2ccc(F)cc2)C2CCCC2)c1 ZINC000263582762 1037171343 /nfs/dbraw/zinc/17/13/43/1037171343.db2.gz YZKSSNMUGPCGRC-UHFFFAOYSA-N -1 0 345.370 3.744 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)NC[C@H]2CC=CCC2)CC1 ZINC000666523128 1037177199 /nfs/dbraw/zinc/17/71/99/1037177199.db2.gz SUCPOBAVFBWSTE-HNNXBMFYSA-N -1 0 342.439 3.630 20 0 EHADRM CC[C@H]1CCC[C@@H]1NC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666533886 1037205302 /nfs/dbraw/zinc/20/53/02/1037205302.db2.gz BMVFHYCYZQESKS-KSSFIOAISA-N -1 0 344.455 3.853 20 0 EHADRM CC(C)N(Cc1cccc(F)c1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000666566741 1037215162 /nfs/dbraw/zinc/21/51/62/1037215162.db2.gz SXQYRQYLSZFDQA-UHFFFAOYSA-N -1 0 344.386 3.644 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)N2CCC[C@H]2c2cccc(F)c2)c1 ZINC000666566784 1037215182 /nfs/dbraw/zinc/21/51/82/1037215182.db2.gz VWVFPYXAZYUXMR-KRWDZBQOSA-N -1 0 342.370 3.571 20 0 EHADRM CC(C)CN(Cc1ccccc1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000666567967 1037220092 /nfs/dbraw/zinc/22/00/92/1037220092.db2.gz VEZNSIKOFZNVEP-UHFFFAOYSA-N -1 0 340.423 3.753 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)CCCCCO[C@H]1CCC[C@H](C)C1 ZINC000089286377 1037231070 /nfs/dbraw/zinc/23/10/70/1037231070.db2.gz ADTMIHCNDWAKPK-GJZGRUSLSA-N -1 0 331.478 3.614 20 0 EHADRM C[C@H]1Cc2ccccc2CN1C(=O)c1cccc(Br)c1[O-] ZINC000539864087 1037301793 /nfs/dbraw/zinc/30/17/93/1037301793.db2.gz GEYXQEPZAULQGE-NSHDSACASA-N -1 0 346.224 3.742 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H](C)Cc2ccco2)cc1 ZINC000659137984 1037346608 /nfs/dbraw/zinc/34/66/08/1037346608.db2.gz PAGURBPGSMRZJN-BLLLJJGKSA-N -1 0 347.436 3.512 20 0 EHADRM C[C@@H](CNC(=O)[C@H](c1ccccc1)c1ccc(Cl)cc1)CC(=O)[O-] ZINC000659144962 1037367645 /nfs/dbraw/zinc/36/76/45/1037367645.db2.gz LGESLDZIMXPHML-FZKQIMNGSA-N -1 0 345.826 3.699 20 0 EHADRM O=C(c1ccc(O)c(F)c1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000669933772 1037369782 /nfs/dbraw/zinc/36/97/82/1037369782.db2.gz VKVGFUDMWBKXPI-CYBMUJFWSA-N -1 0 331.309 3.726 20 0 EHADRM COc1ccc(CCCN=c2nc(-c3ccccc3)[n-]s2)cc1 ZINC000462776401 1037377970 /nfs/dbraw/zinc/37/79/70/1037377970.db2.gz JSXPFXBVGNCRKT-UHFFFAOYSA-N -1 0 325.437 3.680 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCCC[C@@H]1CCc1ccccc1 ZINC000659146333 1037379567 /nfs/dbraw/zinc/37/95/67/1037379567.db2.gz CKZWPJCZFPVIHG-MRXNPFEDSA-N -1 0 341.407 3.914 20 0 EHADRM Cc1nc(-c2ccc(N[C@H]3CCc4ccccc4C3)nc2)[nH]c(=O)c1C ZINC000462788039 1037394443 /nfs/dbraw/zinc/39/44/43/1037394443.db2.gz BABUSOOIVGAAHU-SFHVURJKSA-N -1 0 346.434 3.830 20 0 EHADRM O=C([O-])c1ccc2c(c1)[C@H](CNC(=O)C1(c3ccccc3)CC1)CCC2 ZINC000659183475 1037434565 /nfs/dbraw/zinc/43/45/65/1037434565.db2.gz AIOYVDFQBFGMHT-KRWDZBQOSA-N -1 0 349.430 3.653 20 0 EHADRM COC(=O)Nc1cccc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)c1 ZINC000493538743 1037435504 /nfs/dbraw/zinc/43/55/04/1037435504.db2.gz POXQUHOCMMAHEM-UHFFFAOYSA-N -1 0 343.364 3.547 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)C[C@H](C)c2ccccc2F)n1 ZINC000659186099 1037438663 /nfs/dbraw/zinc/43/86/63/1037438663.db2.gz FXWWGFJTKYMEBR-SWLSCSKDSA-N -1 0 347.390 3.580 20 0 EHADRM O=C(Cc1ccc(C(F)(F)F)cc1)[N-]S(=O)(=O)C1CCCCC1 ZINC000058071205 1037448909 /nfs/dbraw/zinc/44/89/09/1037448909.db2.gz HAPXEFYIDBBDQH-UHFFFAOYSA-N -1 0 349.374 3.867 20 0 EHADRM O=C(Cc1ccc2c(c1)CCCC2)[N-]S(=O)(=O)C1CCCCC1 ZINC000058070195 1037448917 /nfs/dbraw/zinc/44/89/17/1037448917.db2.gz LGHCOZNLWFIVPR-UHFFFAOYSA-N -1 0 335.469 3.727 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)[C@H](C)c2cccc(Cl)c2)n1 ZINC000659188897 1037453878 /nfs/dbraw/zinc/45/38/78/1037453878.db2.gz WPYVSRBQSPOTHS-RISCZKNCSA-N -1 0 349.818 3.705 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cccc(C(F)F)c2)[C@@H]2CCCC[C@@H]12 ZINC000659195453 1037453982 /nfs/dbraw/zinc/45/39/82/1037453982.db2.gz XRCVYBYBIFNKLF-RRFJBIMHSA-N -1 0 337.366 3.730 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cccc(C(F)F)c2)[C@H]2CCCC[C@H]12 ZINC000659195450 1037454164 /nfs/dbraw/zinc/45/41/64/1037454164.db2.gz XRCVYBYBIFNKLF-KFWWJZLASA-N -1 0 337.366 3.730 20 0 EHADRM O=C([O-])c1occc1CNC(=O)C1(c2ccc(F)cc2)CCCCC1 ZINC000659198439 1037473790 /nfs/dbraw/zinc/47/37/90/1037473790.db2.gz SKIXUTPMBAWTNH-UHFFFAOYSA-N -1 0 345.370 3.635 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)NC[C@@H](CC(=O)[O-])C2CC2)cc1 ZINC000659209939 1037479402 /nfs/dbraw/zinc/47/94/02/1037479402.db2.gz RCQDDJFRVLUVNC-OAJJDEHYSA-N -1 0 329.440 3.830 20 0 EHADRM O=C([O-])C[C@H](CNC(=O)CCc1c(Cl)cccc1Cl)C1CC1 ZINC000659210501 1037481244 /nfs/dbraw/zinc/48/12/44/1037481244.db2.gz VNTSRIIIRHWVAW-LLVKDONJSA-N -1 0 344.238 3.543 20 0 EHADRM Cc1cnc(C(=O)Nc2ccc(Cl)cc2OCC(F)F)c([O-])c1 ZINC000491488879 1037519704 /nfs/dbraw/zinc/51/97/04/1037519704.db2.gz XYCZFOUSOPUXOX-UHFFFAOYSA-N -1 0 342.729 3.645 20 0 EHADRM CCc1cccc(C)c1N=c1[n-]nc(Sc2ccnc(C)n2)s1 ZINC000462916228 1037546021 /nfs/dbraw/zinc/54/60/21/1037546021.db2.gz YWIKSMPABMYHOE-UHFFFAOYSA-N -1 0 343.481 3.824 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000659234495 1037548693 /nfs/dbraw/zinc/54/86/93/1037548693.db2.gz KEBFWPSDZMSVRA-UTKZUKDTSA-N -1 0 337.419 3.578 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)N[C@H]1CCC[C@]1(C)C(=O)[O-] ZINC000659233189 1037557966 /nfs/dbraw/zinc/55/79/66/1037557966.db2.gz AHHHPNNXPSNEKC-NKFCBESUSA-N -1 0 341.860 3.580 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)N[C@@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000659233190 1037558375 /nfs/dbraw/zinc/55/83/75/1037558375.db2.gz AHHHPNNXPSNEKC-OWRWGESLSA-N -1 0 341.860 3.580 20 0 EHADRM O=C(/C=C/[C@@H]1CCOC1)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000493706378 1037569194 /nfs/dbraw/zinc/56/91/94/1037569194.db2.gz LYHYTOYTHHOXQH-QOHHWTFISA-N -1 0 336.602 3.884 20 0 EHADRM COc1cccc(S(=O)(=O)[N-]C(=O)c2cc3ccccc3s2)c1 ZINC000058185708 1037573834 /nfs/dbraw/zinc/57/38/34/1037573834.db2.gz CDIHRSMNMPFDKU-UHFFFAOYSA-N -1 0 347.417 3.603 20 0 EHADRM CCc1nc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)sc1C ZINC000540210586 1037711965 /nfs/dbraw/zinc/71/19/65/1037711965.db2.gz AXFIXWOMWHYQEO-UHFFFAOYSA-N -1 0 340.470 3.602 20 0 EHADRM COc1cccc(O[C@H](C)CN=c2nc(-c3ccccc3)[n-]s2)c1 ZINC000463076575 1037744892 /nfs/dbraw/zinc/74/48/92/1037744892.db2.gz JNVYSOHZWRAMLH-CYBMUJFWSA-N -1 0 341.436 3.515 20 0 EHADRM CCC[C@@](C)(NC(=O)Nc1ccc(COC2CCCC2)cc1)C(=O)[O-] ZINC000573830377 1037761403 /nfs/dbraw/zinc/76/14/03/1037761403.db2.gz FDKZLEDPHWYYFB-LJQANCHMSA-N -1 0 348.443 3.911 20 0 EHADRM CCCOc1cncc(-c2cccc(C[C@H](CCOC)C(=O)[O-])c2)c1 ZINC000573862732 1037791060 /nfs/dbraw/zinc/79/10/60/1037791060.db2.gz BAAGKNNOKPVGRK-KRWDZBQOSA-N -1 0 343.423 3.817 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)c2cc3ccncc3s2)s1 ZINC000573890392 1037792393 /nfs/dbraw/zinc/79/23/93/1037792393.db2.gz VLSMTCMIKNCLBT-UHFFFAOYSA-N -1 0 332.454 3.726 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)c2cc3cc(C)c(C)cc3o2)s1 ZINC000463170183 1037848294 /nfs/dbraw/zinc/84/82/94/1037848294.db2.gz LQELFVAXNOXRQM-UHFFFAOYSA-N -1 0 329.425 3.918 20 0 EHADRM Cc1nc2ccc(Cl)cn2c1NC(=O)c1ccc(Cl)c([O-])c1 ZINC001168401743 1037879879 /nfs/dbraw/zinc/87/98/79/1037879879.db2.gz AIBNFXXHRRLOMY-UHFFFAOYSA-N -1 0 336.178 3.907 20 0 EHADRM CCC[C@@](C)(NC(=O)N[C@@H](CC)c1ccc(Cl)s1)C(=O)[O-] ZINC000780575066 1037926638 /nfs/dbraw/zinc/92/66/38/1037926638.db2.gz LKEXOLRWINYLJD-LKFCYVNXSA-N -1 0 332.853 3.795 20 0 EHADRM CC(C)C[C@@H](NC(=O)N[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000573991875 1037965981 /nfs/dbraw/zinc/96/59/81/1037965981.db2.gz XFSVMXDIGRNTJY-ZWNOBZJWSA-N -1 0 346.349 3.565 20 0 EHADRM CCOCc1ccc([N-]S(=O)(=O)c2cccc(C)c2Cl)cc1 ZINC000540495799 1038016580 /nfs/dbraw/zinc/01/65/80/1038016580.db2.gz CATCUVZIOZNXLH-UHFFFAOYSA-N -1 0 339.844 3.986 20 0 EHADRM CN(c1ccccc1NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)C1CCCC1 ZINC000653309372 1038172071 /nfs/dbraw/zinc/17/20/71/1038172071.db2.gz AZDIGSMGAHMEPE-KGLIPLIRSA-N -1 0 330.428 3.505 20 0 EHADRM Cc1ccc(SCC(=O)NC2(CC(=O)[O-])CCCCC2)c(C)c1 ZINC000538505966 1038346697 /nfs/dbraw/zinc/34/66/97/1038346697.db2.gz WTHBHNHJNBQRCZ-UHFFFAOYSA-N -1 0 335.469 3.689 20 0 EHADRM COc1cccc(CN=c2[n-]nc(C[C@H](C)CC(C)(C)C)o2)c1OC ZINC000538507083 1038347306 /nfs/dbraw/zinc/34/73/06/1038347306.db2.gz DULFQJZBBZDIGZ-ZDUSSCGKSA-N -1 0 347.459 3.736 20 0 EHADRM O=C(CCn1ccc2ccccc21)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1 ZINC000339136641 1038426229 /nfs/dbraw/zinc/42/62/29/1038426229.db2.gz XZBWPHGFCHRYOR-UHFFFAOYSA-N -1 0 346.390 3.766 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCc1ccc(Cl)s1)c1cccs1 ZINC000238113867 1038447229 /nfs/dbraw/zinc/44/72/29/1038447229.db2.gz FXZVKGOQPYNDLW-SNVBAGLBSA-N -1 0 343.857 3.728 20 0 EHADRM COc1cccc(N=c2[n-]nc(C(C)C)n2Cc2cccs2)c1 ZINC000461489296 1038460886 /nfs/dbraw/zinc/46/08/86/1038460886.db2.gz PXDCWJICUHWUTM-UHFFFAOYSA-N -1 0 328.441 3.685 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)c2cc(C)n([C@H](C)CC)n2)s1 ZINC000538690397 1038481625 /nfs/dbraw/zinc/48/16/25/1038481625.db2.gz RGDLQEHJDFVWLO-SNVBAGLBSA-N -1 0 335.477 3.592 20 0 EHADRM CCCc1nc(=N[C@@H](C)c2ccc(SCCOC)cc2)s[n-]1 ZINC000461770565 1038601496 /nfs/dbraw/zinc/60/14/96/1038601496.db2.gz WYNASXNIECAEOL-LBPRGKRZSA-N -1 0 337.514 3.824 20 0 EHADRM O=C(Nc1cccc2ccccc21)c1c[n-]n(-c2ccc(F)cc2)c1=O ZINC000538952241 1038612222 /nfs/dbraw/zinc/61/22/22/1038612222.db2.gz CYUHWEJTVHABRD-QGZVFWFLSA-N -1 0 347.349 3.566 20 0 EHADRM CCCc1nc(=N[C@H](c2cccc(F)c2)c2ccccn2)s[n-]1 ZINC000461934609 1038683987 /nfs/dbraw/zinc/68/39/87/1038683987.db2.gz HQBMMOXWSQHWNZ-MRXNPFEDSA-N -1 0 328.416 3.648 20 0 EHADRM CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000539108398 1038700396 /nfs/dbraw/zinc/70/03/96/1038700396.db2.gz ISVXXQSAWMHWPG-UHFFFAOYSA-N -1 0 349.481 3.925 20 0 EHADRM CC[C@@H](OCCN=c1[n-]nc(C(F)(F)F)s1)c1ccccc1 ZINC000651392889 1038761702 /nfs/dbraw/zinc/76/17/02/1038761702.db2.gz DUOSMNIEIIMWNV-LLVKDONJSA-N -1 0 331.363 3.559 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2CCOC3(CCC3)C2)c2ccccc12 ZINC000910245661 1038787595 /nfs/dbraw/zinc/78/75/95/1038787595.db2.gz MAKYTJFSKFQTHH-CYBMUJFWSA-N -1 0 339.391 3.826 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)NCc1ccc(C2CC2)cc1F ZINC000910253334 1038789348 /nfs/dbraw/zinc/78/93/48/1038789348.db2.gz LVAAVJCIVWBRJL-UHFFFAOYSA-N -1 0 341.382 3.650 20 0 EHADRM CCC(CC)(CNC(=O)C12CCC(C(=O)[O-])(CC1)C2)C(F)(F)F ZINC000910336891 1038834854 /nfs/dbraw/zinc/83/48/54/1038834854.db2.gz IGJOEZQNQAEFGW-UHFFFAOYSA-N -1 0 335.366 3.506 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3CCC[C@](F)(c4ccccc4)C3)(CC1)C2 ZINC000910338037 1038837026 /nfs/dbraw/zinc/83/70/26/1038837026.db2.gz QSEHGNYWFIEIBG-SOAGJPPSSA-N -1 0 345.414 3.509 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2)s1 ZINC000554052643 1038859403 /nfs/dbraw/zinc/85/94/03/1038859403.db2.gz QBWUJRRKZNRAPJ-DZGCQCFKSA-N -1 0 344.484 3.774 20 0 EHADRM C[C@H](N=c1[n-]nc(C(F)F)o1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000631497772 1038870680 /nfs/dbraw/zinc/87/06/80/1038870680.db2.gz PEPHCCNXVSRHJB-BYPYZUCNSA-N -1 0 348.140 3.785 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCc1cccs1)c1ccccc1Cl ZINC000910400503 1038883120 /nfs/dbraw/zinc/88/31/20/1038883120.db2.gz AEBXUCRQRCYPME-CQSZACIVSA-N -1 0 337.828 3.666 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccnc(C2CC2)c1)c1ccccc1Cl ZINC000910404934 1038885856 /nfs/dbraw/zinc/88/58/56/1038885856.db2.gz AWGKIXRSBLRKOD-MRXNPFEDSA-N -1 0 344.798 3.558 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN(C(=O)CCc1cc(Cl)cs1)C2 ZINC000910496439 1038944467 /nfs/dbraw/zinc/94/44/67/1038944467.db2.gz FHKBNTRTCNOQBD-UHFFFAOYSA-N -1 0 349.839 3.617 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1sccc1C(F)F ZINC000910505035 1038953205 /nfs/dbraw/zinc/95/32/05/1038953205.db2.gz VLNJOTRRQRKTIT-UHFFFAOYSA-N -1 0 333.400 3.895 20 0 EHADRM C[C@@H]1CCN(C(=O)CC2CCC(C(=O)[O-])CC2)[C@@H]1c1ccccc1 ZINC000910544407 1038963541 /nfs/dbraw/zinc/96/35/41/1038963541.db2.gz HGUBLSJBWVDNMA-QCNKBUPASA-N -1 0 329.440 3.877 20 0 EHADRM CC(C)CCC[C@@H](NC(=O)c1sccc1Br)C(=O)[O-] ZINC000910573590 1038968403 /nfs/dbraw/zinc/96/84/03/1038968403.db2.gz WCLOVAHQJRMPRJ-SNVBAGLBSA-N -1 0 348.262 3.520 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1cnoc1-c1ccccc1 ZINC000488225849 1038984530 /nfs/dbraw/zinc/98/45/30/1038984530.db2.gz DHXUEGBXJGGHAR-UHFFFAOYSA-N -1 0 328.393 3.705 20 0 EHADRM Cc1nc(C(C)C)oc1CNC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000615152706 1038997374 /nfs/dbraw/zinc/99/73/74/1038997374.db2.gz AFAHPOQOOJXXOJ-UHFFFAOYSA-N -1 0 326.755 3.535 20 0 EHADRM O=C([O-])CCc1csc(NC(=O)CC[C@@H]2CCc3ccccc32)n1 ZINC000910648458 1039001965 /nfs/dbraw/zinc/00/19/65/1039001965.db2.gz JBTNFEQHYSUDPS-ZDUSSCGKSA-N -1 0 344.436 3.609 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)c1C1CC1 ZINC000910648631 1039002638 /nfs/dbraw/zinc/00/26/38/1039002638.db2.gz LSPXFCMPDWZXTC-LBPRGKRZSA-N -1 0 345.443 3.705 20 0 EHADRM Cc1cc(C(=O)Nc2nn(C3CCCCC3)cc2C)oc1C(=O)[O-] ZINC000910648368 1039002918 /nfs/dbraw/zinc/00/29/18/1039002918.db2.gz STXLRXHHYVCUHA-UHFFFAOYSA-N -1 0 331.372 3.549 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1cnn(CC(C)C)c1C(C)C ZINC000910650112 1039003673 /nfs/dbraw/zinc/00/36/73/1039003673.db2.gz RVLFKEABVCRGOJ-UHFFFAOYSA-N -1 0 333.388 3.514 20 0 EHADRM CC(C)c1c(NC(=O)C(C)(C)CCC(=O)[O-])cnn1-c1ccccc1 ZINC000910656957 1039005823 /nfs/dbraw/zinc/00/58/23/1039005823.db2.gz SJJMKYBJYDXJBX-UHFFFAOYSA-N -1 0 343.427 3.825 20 0 EHADRM CCC(CC)(CNC(=O)c1cc(C)c(OC(F)F)c(C)c1)C(=O)[O-] ZINC000236878802 1039006346 /nfs/dbraw/zinc/00/63/46/1039006346.db2.gz LDQBBOOZRNSJCZ-UHFFFAOYSA-N -1 0 343.370 3.526 20 0 EHADRM CC(C)c1nn(C)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000485394741 1039022596 /nfs/dbraw/zinc/02/25/96/1039022596.db2.gz ABEJHDMWYXHDLW-UHFFFAOYSA-N -1 0 348.255 3.651 20 0 EHADRM Cc1ccc(NC(=O)[C@@H](C)Sc2nc(C)c(C)c(=O)[nH]2)cc1C ZINC000554183313 1039029186 /nfs/dbraw/zinc/02/91/86/1039029186.db2.gz BDNKBEORLJCOMR-CYBMUJFWSA-N -1 0 331.441 3.535 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)C[C@@H](C)c2ccco2)nc1C(=O)[O-] ZINC000910717111 1039055023 /nfs/dbraw/zinc/05/50/23/1039055023.db2.gz BXBKQBFZARAFFF-PWSUYJOCSA-N -1 0 348.424 3.600 20 0 EHADRM CCC(CC)(CC(=O)Nc1ccc(OC2CCC2)c(F)c1)C(=O)[O-] ZINC000236881347 1039071939 /nfs/dbraw/zinc/07/19/39/1039071939.db2.gz CSQFHYKDRFHZBI-UHFFFAOYSA-N -1 0 337.391 3.977 20 0 EHADRM CC(C)(C)[C@@H]1CCCN(C(=O)c2nn(-c3cccc(F)c3)cc2[O-])C1 ZINC000552223514 1039078879 /nfs/dbraw/zinc/07/88/79/1039078879.db2.gz CZBYDXMGSNHRMV-CYBMUJFWSA-N -1 0 345.418 3.615 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000910857126 1039124949 /nfs/dbraw/zinc/12/49/49/1039124949.db2.gz LVIVDZRKZIYOAD-GHMZBOCLSA-N -1 0 341.860 3.635 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[C@H]1[C@H](C)c1ccccc1 ZINC000910935796 1039143043 /nfs/dbraw/zinc/14/30/43/1039143043.db2.gz NKPJASDEDZWCIL-WBMJQRKESA-N -1 0 327.380 3.695 20 0 EHADRM CCN(C(=O)C[C@@H]1CCO[C@@H](C(C)C)C1)c1cccc(C(=O)[O-])c1 ZINC000910967998 1039172397 /nfs/dbraw/zinc/17/23/97/1039172397.db2.gz LVKXZUBTIUAMJI-RHSMWYFYSA-N -1 0 333.428 3.579 20 0 EHADRM CCN(C(=O)[C@H](C)c1cccc(OC)c1)c1cccc(C(=O)[O-])c1 ZINC000910972422 1039174898 /nfs/dbraw/zinc/17/48/98/1039174898.db2.gz WPEGBPYKBZVGAN-CYBMUJFWSA-N -1 0 327.380 3.550 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1ccccc1N1CCCCC1 ZINC000911092395 1039229601 /nfs/dbraw/zinc/22/96/01/1039229601.db2.gz OZMALFKCVAXEJI-UHFFFAOYSA-N -1 0 328.368 3.529 20 0 EHADRM Cn1cccc1[C@H]1CCCCN1C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000155775419 1039243853 /nfs/dbraw/zinc/24/38/53/1039243853.db2.gz XZOIDOWHZBLVMJ-OAHLLOKOSA-N -1 0 336.794 3.891 20 0 EHADRM CCC1(CC)CCN(C(=O)c2nn(-c3ccccc3F)cc2[O-])CC1 ZINC000485568127 1039251090 /nfs/dbraw/zinc/25/10/90/1039251090.db2.gz BLQUKIWKVUHUCE-UHFFFAOYSA-N -1 0 345.418 3.759 20 0 EHADRM CC(C)C1CCN(C(=O)N=c2nc(-c3ccsc3)[n-]s2)CC1 ZINC000460124048 1039291420 /nfs/dbraw/zinc/29/14/20/1039291420.db2.gz IHZVMDNUHJUNRW-UHFFFAOYSA-N -1 0 336.486 3.588 20 0 EHADRM Cc1n[n-]c(=NC(=O)c2sc3cc(C)c(C)cc3c2C)n1C1CC1 ZINC000552472459 1039314378 /nfs/dbraw/zinc/31/43/78/1039314378.db2.gz HCWZYYXARTVKNB-UHFFFAOYSA-N -1 0 340.452 3.736 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)N(C(=O)N=c2[n-]nc(C(C)(C)C)s2)C1 ZINC000554421854 1039328567 /nfs/dbraw/zinc/32/85/67/1039328567.db2.gz LFQIVBYYQXIVAN-GXTWGEPZSA-N -1 0 344.484 3.873 20 0 EHADRM CCO[C@@H](CCNC(=O)c1cccc(Cl)c1[O-])C1CCCC1 ZINC001126835219 1039353257 /nfs/dbraw/zinc/35/32/57/1039353257.db2.gz ZSSOZEKJQQYFFT-HNNXBMFYSA-N -1 0 325.836 3.761 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)C[C@H](C)c1ccccc1C(F)(F)F ZINC000237392329 1039355457 /nfs/dbraw/zinc/35/54/57/1039355457.db2.gz UPJYZGFMEHOLGA-WDEREUQCSA-N -1 0 331.334 3.569 20 0 EHADRM Cc1cc(C(=O)N[C@H](C)CCC(=O)[O-])c(C)n1-c1ccc(Cl)cc1 ZINC000237419538 1039361775 /nfs/dbraw/zinc/36/17/75/1039361775.db2.gz UWOYEDVGBGNBHT-LLVKDONJSA-N -1 0 348.830 3.731 20 0 EHADRM C[C@@H](c1ccco1)N(C(=O)/C=C/c1ccc(C(=O)[O-])cc1)C1CC1 ZINC000237622202 1039400246 /nfs/dbraw/zinc/40/02/46/1039400246.db2.gz FIBWXDJPLSXQMM-VKUYVZBCSA-N -1 0 325.364 3.743 20 0 EHADRM C[C@@H](C(=O)NCc1c(C(=O)[O-])sc2ccsc21)C(C)(C)C ZINC000439930496 1039402398 /nfs/dbraw/zinc/40/23/98/1039402398.db2.gz YHCYBYMKMOXDIH-QMMMGPOBSA-N -1 0 325.455 3.959 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CCc2c1cccc2C(F)(F)F ZINC000911543591 1039406647 /nfs/dbraw/zinc/40/66/47/1039406647.db2.gz WCTGIGDQRXIXJX-UHFFFAOYSA-N -1 0 339.269 3.508 20 0 EHADRM CC(C)(C)[C@H](NC(=O)Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)[O-] ZINC000326370465 1039409213 /nfs/dbraw/zinc/40/92/13/1039409213.db2.gz FSFIGXKOEVJMEG-QGZVFWFLSA-N -1 0 338.407 3.879 20 0 EHADRM COc1nc(C(F)(F)F)ccc1-c1ccc([C@@H](OC)C(=O)[O-])s1 ZINC000906247920 1039409693 /nfs/dbraw/zinc/40/96/93/1039409693.db2.gz AHXIYCOCLYXHIJ-LLVKDONJSA-N -1 0 347.314 3.610 20 0 EHADRM Cc1cc(-c2ccc(C(F)(F)F)cc2CO)c(CC(=O)[O-])s1 ZINC000906251464 1039411041 /nfs/dbraw/zinc/41/10/41/1039411041.db2.gz VJGRLNQYCUNDRY-UHFFFAOYSA-N -1 0 330.327 3.862 20 0 EHADRM CC(C)Oc1ccc([C@H](C)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000324412259 1039424473 /nfs/dbraw/zinc/42/44/73/1039424473.db2.gz WCXYQUXZRYJMGM-XKQJLSEDSA-N -1 0 333.428 3.542 20 0 EHADRM C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000911651309 1039449608 /nfs/dbraw/zinc/44/96/08/1039449608.db2.gz PXZILVBMBUBXFH-IEBDPFPHSA-N -1 0 342.222 3.550 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)Nc1cc(C(=O)[O-])c(C)cc1F ZINC000911687371 1039459726 /nfs/dbraw/zinc/45/97/26/1039459726.db2.gz SUWJBVFUYNVMGH-UHFFFAOYSA-N -1 0 347.390 3.951 20 0 EHADRM Cc1cc(F)c(NC(=O)c2cnn(C(C)C)c2Cl)cc1C(=O)[O-] ZINC000911687288 1039460300 /nfs/dbraw/zinc/46/03/00/1039460300.db2.gz FBWNQFFSVTYMAD-UHFFFAOYSA-N -1 0 339.754 3.515 20 0 EHADRM CC(C)Oc1c(NC(=O)[C@@H](C)Cc2ccco2)cccc1C(=O)[O-] ZINC000911733788 1039491423 /nfs/dbraw/zinc/49/14/23/1039491423.db2.gz INBGTJGXCBZPMT-LBPRGKRZSA-N -1 0 331.368 3.582 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1cc(Cl)cc2cccnc21 ZINC000238127218 1039496398 /nfs/dbraw/zinc/49/63/98/1039496398.db2.gz BJRXWXRQMDUTFM-UHFFFAOYSA-N -1 0 334.803 3.653 20 0 EHADRM O=C([O-])c1ccccc1-c1ccccc1C(=O)NOCCC1CC1 ZINC000911808787 1039519302 /nfs/dbraw/zinc/51/93/02/1039519302.db2.gz IHJLZAVXLMGPRH-UHFFFAOYSA-N -1 0 325.364 3.513 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N2CCCC[C@@H]2C(=O)[O-])cc1Cl ZINC000554598850 1039526227 /nfs/dbraw/zinc/52/62/27/1039526227.db2.gz DTWLOWIFZVRNAU-CYBMUJFWSA-N -1 0 340.807 3.598 20 0 EHADRM COc1c(NC(=O)CCCCCCSC)cccc1C(=O)[O-] ZINC000906498729 1039594477 /nfs/dbraw/zinc/59/44/77/1039594477.db2.gz DAZPLGPSFJHFOQ-UHFFFAOYSA-N -1 0 325.430 3.645 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cnc(C(C)C)nc2)cc1 ZINC000478677805 1039614315 /nfs/dbraw/zinc/61/43/15/1039614315.db2.gz NWXZNBNTBVBFSX-CYBMUJFWSA-N -1 0 333.457 3.914 20 0 EHADRM CC(C)(O)CCN=c1[n-]nc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000480510411 1039623551 /nfs/dbraw/zinc/62/35/51/1039623551.db2.gz PDDWTDSRKDPZIM-UHFFFAOYSA-N -1 0 332.256 3.507 20 0 EHADRM O=C(N=c1nc(-c2cccnc2)[n-]s1)c1occc1-c1ccccc1 ZINC000339725986 1039623492 /nfs/dbraw/zinc/62/34/92/1039623492.db2.gz PVPSGDDQDLLJGW-UHFFFAOYSA-N -1 0 348.387 3.534 20 0 EHADRM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)N=c2cc(C)c(C)n[n-]2)o1 ZINC000480568730 1039709273 /nfs/dbraw/zinc/70/92/73/1039709273.db2.gz RITCYHLOLLOMFB-BLLLJJGKSA-N -1 0 342.443 3.676 20 0 EHADRM Fc1ccc([C@H]2CC[C@@H](N=c3[n-]nc(C(F)(F)F)s3)C2)cc1 ZINC000480582323 1039728678 /nfs/dbraw/zinc/72/86/78/1039728678.db2.gz PYGITRHJQRNAQS-GXSJLCMTSA-N -1 0 331.338 3.866 20 0 EHADRM O=c1cc(C=Cc2cc(F)cc(Cl)c2)nc(-c2ccncc2)[nH]1 ZINC000485980608 1039747462 /nfs/dbraw/zinc/74/74/62/1039747462.db2.gz RWVHWQAIIMVUNQ-UPHRSURJSA-N -1 0 327.746 3.795 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1cccc(C(F)F)c1 ZINC000554844945 1039801357 /nfs/dbraw/zinc/80/13/57/1039801357.db2.gz RZPIOEBONIJBFJ-UHFFFAOYSA-N -1 0 344.321 3.676 20 0 EHADRM C[C@@H](C[C@H]1CCCO1)N=c1[n-]nc(Cc2ccc(Cl)cc2)s1 ZINC000489313868 1039825238 /nfs/dbraw/zinc/82/52/38/1039825238.db2.gz JELDOHZHGBBJRX-SMDDNHRTSA-N -1 0 337.876 3.574 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccccc2OCC(F)(F)F)c1 ZINC000553276149 1039926500 /nfs/dbraw/zinc/92/65/00/1039926500.db2.gz KMTUDTCKCWORJQ-UHFFFAOYSA-N -1 0 345.342 3.737 20 0 EHADRM C[C@@H]1Cc2ccccc2N(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000110325750 1039985938 /nfs/dbraw/zinc/98/59/38/1039985938.db2.gz WFGWFPXNXMNGIN-LLVKDONJSA-N -1 0 346.224 3.994 20 0 EHADRM CSCc1cnc(CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])s1 ZINC000417561444 1039985928 /nfs/dbraw/zinc/98/59/28/1039985928.db2.gz LFNFOIISSJRERO-NHYWBVRUSA-N -1 0 336.482 3.558 20 0 EHADRM CCOCc1cc(CNc2ccc(C)c(C(=O)[O-])c2)ccc1OC ZINC000417564585 1040014867 /nfs/dbraw/zinc/01/48/67/1040014867.db2.gz JEQYQZLTJKBGCL-UHFFFAOYSA-N -1 0 329.396 3.850 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)c1ccc(SCc2ccccc2)cc1 ZINC000237533756 1040021425 /nfs/dbraw/zinc/02/14/25/1040021425.db2.gz BXALBTHMCKBPFH-AWEZNQCLSA-N -1 0 343.448 3.962 20 0 EHADRM CCOCc1cc(CNc2cccc(C(=O)[O-])c2C)ccc1OC ZINC000417578169 1040023572 /nfs/dbraw/zinc/02/35/72/1040023572.db2.gz NCGPMBWYZWEPPN-UHFFFAOYSA-N -1 0 329.396 3.850 20 0 EHADRM C[C@@H](OC(C)(C)C)[C@H](NCc1c(Cl)oc2ccccc21)C(=O)[O-] ZINC000417580581 1040027567 /nfs/dbraw/zinc/02/75/67/1040027567.db2.gz DIGHXEFIIBBXBI-YGRLFVJLSA-N -1 0 339.819 3.833 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])[NH2+]Cc2ccc(SC)s2)c1 ZINC000417584268 1040033067 /nfs/dbraw/zinc/03/30/67/1040033067.db2.gz NFXAFFHYXGTSOG-CQSZACIVSA-N -1 0 337.466 3.784 20 0 EHADRM CCc1ccc([C@@H](NCc2cnc(C3CCC3)s2)C(=O)[O-])cc1 ZINC000417592758 1040043175 /nfs/dbraw/zinc/04/31/75/1040043175.db2.gz ZDKDIMZSASGITK-MRXNPFEDSA-N -1 0 330.453 3.889 20 0 EHADRM Cn1cc(C(=O)Nc2cc(F)cc(Cl)c2[O-])c(C2CCCC2)n1 ZINC000907445888 1040060731 /nfs/dbraw/zinc/06/07/31/1040060731.db2.gz WCLBYAGMLFYUJO-UHFFFAOYSA-N -1 0 337.782 3.828 20 0 EHADRM CC[C@@H](Cc1ccc(NCc2ccc(OC)cc2OC)cc1)C(=O)[O-] ZINC000417611927 1040078187 /nfs/dbraw/zinc/07/81/87/1040078187.db2.gz QETPIJXAWLKHBR-HNNXBMFYSA-N -1 0 343.423 3.969 20 0 EHADRM C[C@@H](NC(=O)N=c1[n-]nc(C2CC2)s1)c1ccc2c(c1)CCCC2 ZINC000555040232 1040085269 /nfs/dbraw/zinc/08/52/69/1040085269.db2.gz PGBOSXIOFAGUID-LLVKDONJSA-N -1 0 342.468 3.599 20 0 EHADRM CC[C@H](Cc1ccc(NCc2ccc(NC(C)=O)cc2)cc1)C(=O)[O-] ZINC000417615880 1040085529 /nfs/dbraw/zinc/08/55/29/1040085529.db2.gz YBJMPQOBXSRJPQ-QGZVFWFLSA-N -1 0 340.423 3.910 20 0 EHADRM Cc1c(NC(=O)c2cnc(CC(C)(C)C)s2)cccc1C(=O)[O-] ZINC000907573483 1040096336 /nfs/dbraw/zinc/09/63/36/1040096336.db2.gz WXLNGANMNJTQFA-UHFFFAOYSA-N -1 0 332.425 3.991 20 0 EHADRM CC(C)=CCSC[C@@H](NCc1cc2cc(F)ccc2o1)C(=O)[O-] ZINC000417628583 1040106686 /nfs/dbraw/zinc/10/66/86/1040106686.db2.gz QXTSYSHIVONQIR-OAHLLOKOSA-N -1 0 337.416 3.814 20 0 EHADRM CSc1cccc(N(C)C(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c1 ZINC000907611786 1040115322 /nfs/dbraw/zinc/11/53/22/1040115322.db2.gz JKXYUKXKQYRYMS-VQIMIIECSA-N -1 0 341.432 3.630 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc(F)cc3ccoc32)[C@@H]2CCCC[C@H]12 ZINC000907704479 1040135693 /nfs/dbraw/zinc/13/56/93/1040135693.db2.gz OUXFDBAPGNYGGW-IIAWOOMASA-N -1 0 345.370 3.677 20 0 EHADRM C[C@H](NC(=O)c1cc(C2CC2)oc1C1CC1)c1ncc(C(=O)[O-])s1 ZINC000907730612 1040149761 /nfs/dbraw/zinc/14/97/61/1040149761.db2.gz LCSRXQKSDRFAAV-QMMMGPOBSA-N -1 0 346.408 3.680 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1ccc2ncsc2c1 ZINC000178649915 1040170768 /nfs/dbraw/zinc/17/07/68/1040170768.db2.gz GXSNRNVPSNYNOF-UHFFFAOYSA-N -1 0 327.390 3.979 20 0 EHADRM Cc1ccc(C(C)(C)CN=c2[n-]nc(C3CCOCC3)s2)cc1 ZINC000555138236 1040224979 /nfs/dbraw/zinc/22/49/79/1040224979.db2.gz OWGKQUCEBKXZAX-UHFFFAOYSA-N -1 0 331.485 3.552 20 0 EHADRM CC(C)C(=O)c1ccc([C@H](C)C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)cc1 ZINC000908033372 1040274351 /nfs/dbraw/zinc/27/43/51/1040274351.db2.gz MJHOIGZUVXQLFI-BBRMVZONSA-N -1 0 347.455 3.634 20 0 EHADRM CC(C)[C@H](C(=O)N(C)c1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC000908081367 1040289346 /nfs/dbraw/zinc/28/93/46/1040289346.db2.gz YRLBEJVWNLDUQV-IBGZPJMESA-N -1 0 325.408 3.716 20 0 EHADRM CC[C@H](C(=O)N(C)c1cccc(CC(=O)[O-])c1)c1ccc(F)cc1 ZINC000908079846 1040289920 /nfs/dbraw/zinc/28/99/20/1040289920.db2.gz IYFCLZWTWKMHOY-KRWDZBQOSA-N -1 0 329.371 3.609 20 0 EHADRM CN(C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)c1cccc(CC(=O)[O-])c1 ZINC000908080405 1040290110 /nfs/dbraw/zinc/29/01/10/1040290110.db2.gz QQDIGNDLYYYHBQ-KGLIPLIRSA-N -1 0 343.345 3.645 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)N(C)c1cccc(CC(=O)[O-])c1 ZINC000908080552 1040290563 /nfs/dbraw/zinc/29/05/63/1040290563.db2.gz QSRICVFBLYMNIY-CQSZACIVSA-N -1 0 343.398 3.685 20 0 EHADRM COc1c(C)ccc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])c1C ZINC000899308937 1040295950 /nfs/dbraw/zinc/29/59/50/1040295950.db2.gz KXOFULDFVRSOLS-AWEZNQCLSA-N -1 0 334.416 3.563 20 0 EHADRM CSCc1ccccc1NC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000899310753 1040298713 /nfs/dbraw/zinc/29/87/13/1040298713.db2.gz FBPLEKZYBLHSLE-AWEZNQCLSA-N -1 0 336.457 3.801 20 0 EHADRM CC(C)(C)c1cnc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])s1 ZINC000899311474 1040311183 /nfs/dbraw/zinc/31/11/83/1040311183.db2.gz NSOSRUAAYFCVGJ-NSHDSACASA-N -1 0 339.461 3.692 20 0 EHADRM CC(C)Cc1nc(=N[C@H](CO)c2c(Cl)cccc2Cl)s[n-]1 ZINC000481077233 1040326579 /nfs/dbraw/zinc/32/65/79/1040326579.db2.gz ULFXXEGYJXBTHD-LLVKDONJSA-N -1 0 346.283 3.611 20 0 EHADRM CO[C@](C)(C(=O)Nc1cc(Cl)c([O-])cc1F)c1ccccc1F ZINC000553687458 1040333476 /nfs/dbraw/zinc/33/34/76/1040333476.db2.gz BCZRAIPXJLMSCO-INIZCTEOSA-N -1 0 341.741 3.824 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCC(C)(C(=O)[O-])CC2)c1 ZINC000364174319 1040345094 /nfs/dbraw/zinc/34/50/94/1040345094.db2.gz UVVXGBPGIBBBJF-OAHLLOKOSA-N -1 0 347.455 3.599 20 0 EHADRM COC(=O)c1ccc(/C=C\c2ncc(C(=O)[O-])c(C(C)C)n2)cc1C ZINC000899356180 1040365659 /nfs/dbraw/zinc/36/56/59/1040365659.db2.gz GYRIIIUIPUXINE-VURMDHGXSA-N -1 0 340.379 3.564 20 0 EHADRM O=c1c(C(F)(F)F)c(C2CC2)[n-]n1-c1ccc(C(F)(F)F)cc1 ZINC000899348629 1040368427 /nfs/dbraw/zinc/36/84/27/1040368427.db2.gz FWRGBMNCKJJVIM-JTQLQIEISA-N -1 0 336.235 3.997 20 0 EHADRM COc1ccc(Nc2ccc(Br)cc2[S-])c(CO)c1 ZINC001211749360 1040385625 /nfs/dbraw/zinc/38/56/25/1040385625.db2.gz KZYITNVVVHDAJK-UHFFFAOYSA-N -1 0 340.242 3.982 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1cccc(C(C)(C)C)c1O ZINC000479563233 1040388723 /nfs/dbraw/zinc/38/87/23/1040388723.db2.gz AZRRFDWDCHMPCE-UHFFFAOYSA-N -1 0 325.455 3.860 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908339835 1040402588 /nfs/dbraw/zinc/40/25/88/1040402588.db2.gz UBCVRYMVSMNSBD-MRXNPFEDSA-N -1 0 339.476 3.656 20 0 EHADRM CC(C)c1ccc(SCC(=O)N[C@@H]2CC[C@H](CC(=O)[O-])C2)cc1 ZINC000908365727 1040415222 /nfs/dbraw/zinc/41/52/22/1040415222.db2.gz DELCRRCLBCKKHN-DZGCQCFKSA-N -1 0 335.469 3.662 20 0 EHADRM CCC(CC)(CC)C(=O)Nc1ccc(-n2[n-]c(C3CC3)cc2=O)nc1 ZINC000912866074 1040419560 /nfs/dbraw/zinc/41/95/60/1040419560.db2.gz WKCQQZJHFDPIJR-UHFFFAOYSA-N -1 0 342.443 3.739 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)C1 ZINC000908376407 1040420788 /nfs/dbraw/zinc/42/07/88/1040420788.db2.gz YINYZPIAAQIARV-MWLKLMTCSA-N -1 0 337.419 3.703 20 0 EHADRM CCC[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000908403159 1040433337 /nfs/dbraw/zinc/43/33/37/1040433337.db2.gz CJLRCRDYDRGBPK-ZWNOBZJWSA-N -1 0 331.334 3.774 20 0 EHADRM CC/C=C(/C)C(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000908408149 1040434634 /nfs/dbraw/zinc/43/46/34/1040434634.db2.gz HDPKKTWXGZSVAR-JTMRULEUSA-N -1 0 329.318 3.694 20 0 EHADRM CC[C@H](C)[C@@H]([N-]S(=O)(=O)Cc1c(C)cccc1C)C(F)(F)F ZINC000555343140 1040437019 /nfs/dbraw/zinc/43/70/19/1040437019.db2.gz NDAHPHQYKUJPQB-IINYFYTJSA-N -1 0 337.407 3.700 20 0 EHADRM Cc1c(C(=O)N=c2cc(C(F)(F)F)[n-][nH]2)oc2c1c(C)ccc2C ZINC000479627606 1040440258 /nfs/dbraw/zinc/44/02/58/1040440258.db2.gz FKGRZLXIPBSKPP-UHFFFAOYSA-N -1 0 337.301 3.774 20 0 EHADRM CC(C)=CC[C@H](NC(=O)Nc1ccc(CC(F)(F)F)cc1)C(=O)[O-] ZINC000908623786 1040534054 /nfs/dbraw/zinc/53/40/54/1040534054.db2.gz CNKCNAYMAVCMJN-ZDUSSCGKSA-N -1 0 344.333 3.722 20 0 EHADRM O=C([O-])[C@H]1CC12CCN(C(=O)c1csc(C3CCCCC3)n1)CC2 ZINC000908657496 1040562070 /nfs/dbraw/zinc/56/20/70/1040562070.db2.gz LQVDYGNOGBJDIJ-CYBMUJFWSA-N -1 0 348.468 3.518 20 0 EHADRM O=C([O-])c1cc(F)c(F)cc1C(=O)N(Cc1cccs1)C1CC1 ZINC000321172039 1040571795 /nfs/dbraw/zinc/57/17/95/1040571795.db2.gz YMQWMQJNICECCM-UHFFFAOYSA-N -1 0 337.347 3.529 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000908674166 1040583549 /nfs/dbraw/zinc/58/35/49/1040583549.db2.gz YUHDJSVJPJLKAQ-UHFFFAOYSA-N -1 0 338.407 3.623 20 0 EHADRM Cc1nc(NC(=O)N2CCCC[C@@H]2C(=O)[O-])ccc1-c1ccccc1 ZINC000908675954 1040584557 /nfs/dbraw/zinc/58/45/57/1040584557.db2.gz SPPYMSSMAJXUBX-MRXNPFEDSA-N -1 0 339.395 3.528 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)C(C)(C)CCC(=O)[O-])cc2)cs1 ZINC000908702828 1040599523 /nfs/dbraw/zinc/59/95/23/1040599523.db2.gz AXZKEVDQYLMICW-UHFFFAOYSA-N -1 0 332.425 3.948 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)Nc1cccc(O)c1Br ZINC000908712150 1040607398 /nfs/dbraw/zinc/60/73/98/1040607398.db2.gz AGNVHLQZRNKXRJ-CYBMUJFWSA-N -1 0 342.233 3.831 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)c1ccoc1CC(=O)[O-])c1ccccc1 ZINC000908730588 1040612719 /nfs/dbraw/zinc/61/27/19/1040612719.db2.gz YIKCPQAPAQMSOT-HNNXBMFYSA-N -1 0 329.396 3.814 20 0 EHADRM CCOc1ccc([C@H](C)NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1 ZINC000908737505 1040619498 /nfs/dbraw/zinc/61/94/98/1040619498.db2.gz LLUPPKPACWRJJY-JAGHRAMZSA-N -1 0 345.439 3.688 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000908759855 1040637889 /nfs/dbraw/zinc/63/78/89/1040637889.db2.gz JBCWJPHMSUKQNX-KGLIPLIRSA-N -1 0 337.828 3.718 20 0 EHADRM Cc1ccc(CN(Cc2ccco2)C(=O)[C@H](C(=O)[O-])C(C)C)s1 ZINC000908762143 1040637934 /nfs/dbraw/zinc/63/79/34/1040637934.db2.gz DUWIKIVGMAFQAW-OAHLLOKOSA-N -1 0 335.425 3.535 20 0 EHADRM Cc1ccc([C@H](C)CNC(=O)c2ccccc2CCC(=O)[O-])cc1 ZINC000908811643 1040664667 /nfs/dbraw/zinc/66/46/67/1040664667.db2.gz JDKFPWANOIEKAP-OAHLLOKOSA-N -1 0 325.408 3.546 20 0 EHADRM Cc1c(NC(=O)CCC[C@@H](O)c2ccccc2)cccc1C(=O)[O-] ZINC000908841627 1040677693 /nfs/dbraw/zinc/67/76/93/1040677693.db2.gz HLJZKKONEOVLRK-QGZVFWFLSA-N -1 0 327.380 3.536 20 0 EHADRM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccccc1CCC(=O)[O-] ZINC000908832309 1040679293 /nfs/dbraw/zinc/67/92/93/1040679293.db2.gz ANGNYZGOKMFYKE-QAPCUYQASA-N -1 0 337.419 3.722 20 0 EHADRM Cc1cc2scc(CC(=O)N(CCC(=O)[O-])C(C)C)c2s1 ZINC000908967382 1040726274 /nfs/dbraw/zinc/72/62/74/1040726274.db2.gz OYFMANBKLIBUHZ-UHFFFAOYSA-N -1 0 325.455 3.525 20 0 EHADRM O=C([N-]S(=O)(=O)c1cccs1)c1cc(Cl)cc(Cl)c1 ZINC000042243928 1040733125 /nfs/dbraw/zinc/73/31/25/1040733125.db2.gz FIHIRTVDTOTNES-UHFFFAOYSA-N -1 0 336.221 3.748 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)[N-]OCCC(F)(F)F)ccc1C(C)C ZINC000162609340 1040754345 /nfs/dbraw/zinc/75/43/45/1040754345.db2.gz VLOXCQYOUFYXKD-GFCCVEGCSA-N -1 0 333.350 3.886 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1ccc(Cl)cc1F ZINC000555538518 1040785182 /nfs/dbraw/zinc/78/51/82/1040785182.db2.gz VAQBIEIHPDVMDV-UHFFFAOYSA-N -1 0 346.749 3.531 20 0 EHADRM Cc1c(NCC(C)(C)C)cccc1C(=O)NC1(CC(=O)[O-])CCC1 ZINC000909060888 1040785620 /nfs/dbraw/zinc/78/56/20/1040785620.db2.gz XCFLPPUSWDMWPB-UHFFFAOYSA-N -1 0 332.444 3.580 20 0 EHADRM O=C([O-])c1cc(NC(=O)C[C@@H](c2ccc(O)cc2)C2CC2)ccc1F ZINC000909105953 1040825948 /nfs/dbraw/zinc/82/59/48/1040825948.db2.gz OIJZZBWCJOUARW-OAHLLOKOSA-N -1 0 343.354 3.752 20 0 EHADRM C[C@H](CC(=O)NCCCCCCC(=O)[O-])c1c[nH]c2ccccc21 ZINC000909144024 1040841530 /nfs/dbraw/zinc/84/15/30/1040841530.db2.gz AGDFYJDZDGNTFQ-CQSZACIVSA-N -1 0 330.428 3.813 20 0 EHADRM Cc1c(C(=O)[O-])cc(F)cc1-c1cccc(CO[C@H]2CCOC2)c1 ZINC000899632886 1040883292 /nfs/dbraw/zinc/88/32/92/1040883292.db2.gz JLAZTJOVTGDFFT-INIZCTEOSA-N -1 0 330.355 3.805 20 0 EHADRM CCCCOc1cccc(F)c1Nc1cccc(S(=O)(=O)[O-])c1 ZINC001211795049 1040908001 /nfs/dbraw/zinc/90/80/01/1040908001.db2.gz VGWNVRFDHAAAHB-UHFFFAOYSA-N -1 0 339.388 3.995 20 0 EHADRM O=C([O-])C1(CC(=O)NC[C@@H]2CCCCC(F)(F)C2)CCCCC1 ZINC000555627052 1040921764 /nfs/dbraw/zinc/92/17/64/1040921764.db2.gz YDRUKHDNEQFRHQ-CYBMUJFWSA-N -1 0 331.403 3.743 20 0 EHADRM CCSCc1ccccc1C(=O)N1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000909702377 1040942684 /nfs/dbraw/zinc/94/26/84/1040942684.db2.gz ZFNRIVONTOTCSP-SFHVURJKSA-N -1 0 335.469 3.513 20 0 EHADRM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000481484560 1040958428 /nfs/dbraw/zinc/95/84/28/1040958428.db2.gz KSUHSYYVZBNZSJ-GHMZBOCLSA-N -1 0 344.381 3.596 20 0 EHADRM O=C(N=c1[n-]nc(-c2cccc(Cl)c2)s1)N[C@@H]1CC=CCC1 ZINC000481540985 1041037655 /nfs/dbraw/zinc/03/76/55/1041037655.db2.gz HSFYSMRHIQZWEX-GFCCVEGCSA-N -1 0 334.832 3.511 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2CCCCS2)ccc1N1CCCCC1 ZINC000909846603 1041039512 /nfs/dbraw/zinc/03/95/12/1041039512.db2.gz GFWYAKKWYFRYCA-MRXNPFEDSA-N -1 0 348.468 3.599 20 0 EHADRM CC1(C)CC[C@@H]1C(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC000659161696 1041087121 /nfs/dbraw/zinc/08/71/21/1041087121.db2.gz XAWBJIHFLSCDLY-CYBMUJFWSA-N -1 0 344.436 3.561 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)N[C@@H]1C[C@H]1c1ccccc1Cl ZINC000909978198 1041090622 /nfs/dbraw/zinc/09/06/22/1041090622.db2.gz XDVSHVFWVRKNJI-DOTOQJQBSA-N -1 0 343.810 3.643 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])C[C@@H]1C(=O)Nc1ccc(Oc2ccncc2)cc1 ZINC000899764632 1041092494 /nfs/dbraw/zinc/09/24/94/1041092494.db2.gz ACWNAZCDZVBNIR-VQIMIIECSA-N -1 0 340.379 3.559 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1cc(F)ccc1OC(C)C ZINC000899766333 1041095247 /nfs/dbraw/zinc/09/52/47/1041095247.db2.gz KPFZTUNSEXDUPB-LBPRGKRZSA-N -1 0 325.380 3.688 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])C[C@H]1C(=O)Nc1cccc(C(F)F)c1Cl ZINC000899779874 1041101937 /nfs/dbraw/zinc/10/19/37/1041101937.db2.gz FRQIYFRDINKEHV-VFZGTOFNSA-N -1 0 331.746 3.963 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)NCc1csc(-c2ccccc2)n1 ZINC000899772213 1041109577 /nfs/dbraw/zinc/10/95/77/1041109577.db2.gz FBENWTKIRWQJOM-CQSZACIVSA-N -1 0 346.452 3.563 20 0 EHADRM Cc1ccc([C@H](CC(=O)N([C@H](C)c2ccco2)C2CC2)C(=O)[O-])cc1 ZINC000899802534 1041141956 /nfs/dbraw/zinc/14/19/56/1041141956.db2.gz GCLZDSHGOSVTOI-PBHICJAKSA-N -1 0 341.407 3.899 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000910012272 1041149920 /nfs/dbraw/zinc/14/99/20/1041149920.db2.gz OFQIJILSTMSYGS-AAEUAGOBSA-N -1 0 343.345 3.522 20 0 EHADRM C[C@@]1(C(=O)[O-])[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCCCC[C@H]1c1ccco1 ZINC000899810182 1041155932 /nfs/dbraw/zinc/15/59/32/1041155932.db2.gz UEUPUMHGECPFFA-LNQWNYPOSA-N -1 0 343.423 3.636 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000899813898 1041158696 /nfs/dbraw/zinc/15/86/96/1041158696.db2.gz WFJXDDRMRMMIPM-HIFRSBDPSA-N -1 0 344.411 3.656 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000899813878 1041159515 /nfs/dbraw/zinc/15/95/15/1041159515.db2.gz VWRJOTTXSRCFTJ-QMMMGPOBSA-N -1 0 333.215 3.651 20 0 EHADRM CCOc1ccccc1N(C)C(=O)C[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC000899827477 1041184208 /nfs/dbraw/zinc/18/42/08/1041184208.db2.gz KCQGYBWSSVGSSS-INIZCTEOSA-N -1 0 341.407 3.615 20 0 EHADRM COc1cccc([C@H]2C[C@H](N(C)C(=O)[C@H](CC(=O)[O-])CC(C)C)C2)c1 ZINC000899828560 1041186209 /nfs/dbraw/zinc/18/62/09/1041186209.db2.gz SXYLMOQTXZCLDU-ULQDDVLXSA-N -1 0 347.455 3.537 20 0 EHADRM O=C([O-])c1csc([C@@H]2CCCN2C(=O)c2ccsc2Cl)n1 ZINC000910104639 1041193093 /nfs/dbraw/zinc/19/30/93/1041193093.db2.gz SCQCIYCRQYRHMC-VIFPVBQESA-N -1 0 342.829 3.534 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc(C(F)F)cc2)Cc2ccccc2C1 ZINC000899841450 1041204437 /nfs/dbraw/zinc/20/44/37/1041204437.db2.gz BQVKTMUNYQFNCA-UHFFFAOYSA-N -1 0 345.345 3.823 20 0 EHADRM CC(C)c1cccc(-c2ccc(C(=O)N3CC([C@H](F)C(=O)[O-])C3)o2)c1 ZINC000910121262 1041204857 /nfs/dbraw/zinc/20/48/57/1041204857.db2.gz CFNYJFCJJIKHHQ-KRWDZBQOSA-N -1 0 345.370 3.565 20 0 EHADRM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1Oc1ccccn1 ZINC000899842535 1041204993 /nfs/dbraw/zinc/20/49/93/1041204993.db2.gz JUGJZAXQIQOBKB-KGLIPLIRSA-N -1 0 340.379 3.703 20 0 EHADRM O=C([O-])c1c[nH]c2cc(NC(=O)C3(C(F)(F)F)CCC3)ccc12 ZINC000910198955 1041223957 /nfs/dbraw/zinc/22/39/57/1041223957.db2.gz XUFNYNNYMGXUEO-UHFFFAOYSA-N -1 0 326.274 3.537 20 0 EHADRM O=C(Nc1cccc2ccncc21)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000555854303 1041230565 /nfs/dbraw/zinc/23/05/65/1041230565.db2.gz SRDRXIOHLQQQSC-UHFFFAOYSA-N -1 0 348.337 3.518 20 0 EHADRM CC(=O)Nc1ccc(NC(=O)CC2(C(=O)[O-])CCCCCC2)cc1C ZINC000044830375 1041279016 /nfs/dbraw/zinc/27/90/16/1041279016.db2.gz LGDUWARTKZTEAG-UHFFFAOYSA-N -1 0 346.427 3.707 20 0 EHADRM CC(C)CC[C@H]1CCCN1C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000555882837 1041294234 /nfs/dbraw/zinc/29/42/34/1041294234.db2.gz FHGLVWNPPHBGCA-OAHLLOKOSA-N -1 0 345.418 3.758 20 0 EHADRM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccccc1OC(F)F ZINC000391514958 1041323401 /nfs/dbraw/zinc/32/34/01/1041323401.db2.gz IXFQACZOPPATTQ-UHFFFAOYSA-N -1 0 345.342 3.845 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CC[C@@](C)(c3cccc(F)c3)C2)c1 ZINC000652082152 1041354370 /nfs/dbraw/zinc/35/43/70/1041354370.db2.gz INQQVBMEKAJPOF-HXUWFJFHSA-N -1 0 341.382 3.636 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1O ZINC000093655190 1041435069 /nfs/dbraw/zinc/43/50/69/1041435069.db2.gz PCEXCYKTKSKCOM-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)c2cccn2C2CCCC2)sc1C(=O)[O-] ZINC000431989323 1041450905 /nfs/dbraw/zinc/45/09/05/1041450905.db2.gz AUNRYKJPAVPTTD-LLVKDONJSA-N -1 0 347.440 3.557 20 0 EHADRM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000312804703 1041531846 /nfs/dbraw/zinc/53/18/46/1041531846.db2.gz RTLXWMZYMMTORX-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM C[C@]1(NC(=O)C[C@H]2CCCc3ccccc32)CCCC[C@H]1C(=O)[O-] ZINC000432109986 1041604198 /nfs/dbraw/zinc/60/41/98/1041604198.db2.gz UXCPTFYTVPZKLI-SYNHAJSKSA-N -1 0 329.440 3.646 20 0 EHADRM Cc1ccc(C(C)C)c(OCC(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])c1 ZINC000432131988 1041631150 /nfs/dbraw/zinc/63/11/50/1041631150.db2.gz XZHJTHHRTBWXKZ-UZLBHIALSA-N -1 0 347.455 3.647 20 0 EHADRM Cc1cc(C)cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000013173796 1041667098 /nfs/dbraw/zinc/66/70/98/1041667098.db2.gz ZFTKYZFKRAIXRJ-INIZCTEOSA-N -1 0 331.799 3.903 20 0 EHADRM C[C@H](Cc1ccco1)NS(=O)(=O)c1cc(Cl)sc1Cl ZINC000026881901 1041739973 /nfs/dbraw/zinc/73/99/73/1041739973.db2.gz GXCUYGXDOHTZKD-SSDOTTSWSA-N -1 0 340.253 3.557 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)N2CCC(C)(C(=O)[O-])CC2)cc1 ZINC000647697658 1041764032 /nfs/dbraw/zinc/76/40/32/1041764032.db2.gz ZSGQFJJBYIYQMZ-UHFFFAOYSA-N -1 0 346.427 3.634 20 0 EHADRM Cc1occc1C(=O)C(C#N)=C([O-])c1sccc1Br ZINC000125281235 1041932329 /nfs/dbraw/zinc/93/23/29/1041932329.db2.gz OLWYEAKTXAVMSY-VIFPVBQESA-N -1 0 338.182 3.617 20 0 EHADRM C[C@]1(C(=O)Nc2cc(Cl)cc(Br)c2[O-])CCCOC1 ZINC000408164312 1042001510 /nfs/dbraw/zinc/00/15/10/1042001510.db2.gz KVOMJFALZCKBOF-ZDUSSCGKSA-N -1 0 348.624 3.563 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000663080666 1042427013 /nfs/dbraw/zinc/42/70/13/1042427013.db2.gz INPKVDNBRAPSNZ-YPMHNXCESA-N -1 0 341.860 3.740 20 0 EHADRM CCCc1nc(=NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)s[n-]1 ZINC000466938591 1042432805 /nfs/dbraw/zinc/43/28/05/1042432805.db2.gz MZSQMMKWCRTWJT-UHFFFAOYSA-N -1 0 349.765 3.837 20 0 EHADRM C[C@@H](Cc1ccccc1F)NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184306318 1042439184 /nfs/dbraw/zinc/43/91/84/1042439184.db2.gz RYWHJEYHBQWRIK-VIFPVBQESA-N -1 0 325.742 3.685 20 0 EHADRM CCN(CCC(F)(F)F)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000652405534 1042458450 /nfs/dbraw/zinc/45/84/50/1042458450.db2.gz LFJHOGLBIJWHFZ-UHFFFAOYSA-N -1 0 342.317 3.814 20 0 EHADRM O=C(Nc1ccc(Br)cc1)c1c([O-])cc(F)cc1F ZINC000049447267 1042465123 /nfs/dbraw/zinc/46/51/23/1042465123.db2.gz VHISAICBAYSVOE-UHFFFAOYSA-N -1 0 328.112 3.685 20 0 EHADRM Cc1ccc([C@@H]2C[C@H]2C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1C ZINC000663118956 1042468093 /nfs/dbraw/zinc/46/80/93/1042468093.db2.gz IRWVRCMKJHBGNT-MTQWCTHYSA-N -1 0 349.430 3.836 20 0 EHADRM CCC(CC)CN(CC)C(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC000432293049 1042480934 /nfs/dbraw/zinc/48/09/34/1042480934.db2.gz CDZNZXFIBAGLLL-UHFFFAOYSA-N -1 0 347.434 3.924 20 0 EHADRM Cc1oc(-c2ccccc2)nc1CN(CC(=O)[O-])C1CCCCC1 ZINC000652482755 1042500140 /nfs/dbraw/zinc/50/01/40/1042500140.db2.gz TVPIISDDXOXEJO-UHFFFAOYSA-N -1 0 328.412 3.869 20 0 EHADRM O=C([O-])[C@H](CNC(=O)CCc1c(Cl)cccc1Cl)C1CCC1 ZINC000663158183 1042501326 /nfs/dbraw/zinc/50/13/26/1042501326.db2.gz UCFZUYOUGLJNPI-GFCCVEGCSA-N -1 0 344.238 3.543 20 0 EHADRM Cc1c2ccccc2nc(N2CCC[C@@H](OC(C)C)C2)c1C(=O)[O-] ZINC000652534871 1042523516 /nfs/dbraw/zinc/52/35/16/1042523516.db2.gz QEKATAUKYYLQNT-CQSZACIVSA-N -1 0 328.412 3.635 20 0 EHADRM CCS[C@@H]1CCC[C@@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000184477540 1042555275 /nfs/dbraw/zinc/55/52/75/1042555275.db2.gz OYNRGSVEGWQGGK-GHMZBOCLSA-N -1 0 331.840 3.979 20 0 EHADRM COC[C@H](C)Oc1ccc(/C=C/c2nc(C(=O)[O-])c(C)s2)cc1 ZINC000663227157 1042576195 /nfs/dbraw/zinc/57/61/95/1042576195.db2.gz MWMXGHAKHGIQMD-LAHYYIKRSA-N -1 0 333.409 3.734 20 0 EHADRM COC[C@@H](C)Oc1ccc(CNc2cc(C(=O)[O-])ccc2C)cc1 ZINC000663260173 1042605722 /nfs/dbraw/zinc/60/57/22/1042605722.db2.gz OREBYLGBEHSGIW-CQSZACIVSA-N -1 0 329.396 3.719 20 0 EHADRM CCc1cnc(CN[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)s1 ZINC000663261874 1042608512 /nfs/dbraw/zinc/60/85/12/1042608512.db2.gz NQFRQMVGQFKJFV-CYBMUJFWSA-N -1 0 344.358 3.640 20 0 EHADRM CCN(Cc1csc(Cc2ccc(Cl)cc2)n1)[C@@H](C)C(=O)[O-] ZINC000662216243 1042610475 /nfs/dbraw/zinc/61/04/75/1042610475.db2.gz NOWJZUMWFDDIRB-NSHDSACASA-N -1 0 338.860 3.682 20 0 EHADRM CN(C(=O)NCc1cccc(Cl)c1Cl)C1(C(=O)[O-])CCCC1 ZINC000663271826 1042616559 /nfs/dbraw/zinc/61/65/59/1042616559.db2.gz QPUOLMSSFFZKRB-UHFFFAOYSA-N -1 0 345.226 3.532 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)NCc1ccc(-c2ccccc2)s1)C(=O)[O-] ZINC000601988959 1042654405 /nfs/dbraw/zinc/65/44/05/1042654405.db2.gz BOSLMQMYGRHDDZ-RYUDHWBXSA-N -1 0 349.477 3.626 20 0 EHADRM Cn1cccc1[C@H]1CCCCCN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000186443366 1042661689 /nfs/dbraw/zinc/66/16/89/1042661689.db2.gz CEXJOYUOPSMRIH-MRXNPFEDSA-N -1 0 334.366 3.766 20 0 EHADRM CN(CCc1ccc(Cl)cc1)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000186811665 1042709996 /nfs/dbraw/zinc/70/99/96/1042709996.db2.gz RDFAYQUBEJEOHF-UHFFFAOYSA-N -1 0 325.742 3.639 20 0 EHADRM C[C@@H](NC(=O)c1cc(F)c([O-])c(F)c1)c1c(F)cccc1Cl ZINC000186848578 1042714094 /nfs/dbraw/zinc/71/40/94/1042714094.db2.gz DTWGIVNMIDYDHE-SSDOTTSWSA-N -1 0 329.705 3.954 20 0 EHADRM CC[C@H](CNC(=O)c1cc(F)c([O-])c(F)c1)Oc1cccc(C)c1 ZINC000186851910 1042716669 /nfs/dbraw/zinc/71/66/69/1042716669.db2.gz PAFFPZNZPUSQEC-CYBMUJFWSA-N -1 0 335.350 3.566 20 0 EHADRM O=C(NCC1(c2ccccc2Cl)CC1)c1cc(F)c([O-])c(F)c1 ZINC000186979852 1042736391 /nfs/dbraw/zinc/73/63/91/1042736391.db2.gz FQMBVVPWSDEBSC-UHFFFAOYSA-N -1 0 337.753 3.785 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)c2csc3c2CCCC3)c2ccccc21 ZINC000653332932 1042981609 /nfs/dbraw/zinc/98/16/09/1042981609.db2.gz KARVSPOGBZWSCG-GOEBONIOSA-N -1 0 341.432 3.670 20 0 EHADRM O=S(=O)([N-]c1cnccc1-c1ccccc1)c1cc(F)cc(F)c1 ZINC000432347278 1042982510 /nfs/dbraw/zinc/98/25/10/1042982510.db2.gz NZTWRBDUNDUYKQ-UHFFFAOYSA-N -1 0 346.358 3.828 20 0 EHADRM C[C@@H](c1ccc(F)cc1)N(C)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000604801451 1042992059 /nfs/dbraw/zinc/99/20/59/1042992059.db2.gz KHYYUGCRNSTGQZ-JTQLQIEISA-N -1 0 336.436 3.622 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1cnccc1-c1ccccc1 ZINC000432354846 1042992254 /nfs/dbraw/zinc/99/22/54/1042992254.db2.gz AJHTWCCZHINHAT-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM CC[C@H]1CCCN(C(=O)c2cccc(Br)c2[O-])CC1 ZINC000605022531 1043055701 /nfs/dbraw/zinc/05/57/01/1043055701.db2.gz KATFYRHKNHNXNA-NSHDSACASA-N -1 0 326.234 3.807 20 0 EHADRM Cc1ccc(NC(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])cc1Cl ZINC000324580548 1043322881 /nfs/dbraw/zinc/32/28/81/1043322881.db2.gz GCPSJAXGDVSOJO-MRXNPFEDSA-N -1 0 344.798 3.864 20 0 EHADRM O=C1CCCc2cc(-c3nc4cc(Cl)ccc4c(=O)[nH]3)cnc21 ZINC000432503012 1043585325 /nfs/dbraw/zinc/58/53/25/1043585325.db2.gz IUNDOSFQXVCXIZ-UHFFFAOYSA-N -1 0 325.755 3.570 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1)C1CCCCC1 ZINC000432514929 1043690719 /nfs/dbraw/zinc/69/07/19/1043690719.db2.gz OPXGZPXQHQLTOZ-SQGPQFPESA-N -1 0 347.430 3.859 20 0 EHADRM CN(C)c1c(Cl)cccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000058190484 1043911272 /nfs/dbraw/zinc/91/12/72/1043911272.db2.gz IQPVSCJMXNKWFK-UHFFFAOYSA-N -1 0 345.251 3.860 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(CC(=O)[O-])cc2)c2ccccc12 ZINC000013440217 1043912860 /nfs/dbraw/zinc/91/28/60/1043912860.db2.gz AFMJGXFJDMTOEY-UHFFFAOYSA-N -1 0 335.359 3.728 20 0 EHADRM O=C(c1ccc2ccccc2c1O)N1CCO[C@@H](c2ccsc2)C1 ZINC000163390310 1043940107 /nfs/dbraw/zinc/94/01/07/1043940107.db2.gz BFRHFWBUHGPOPV-QGZVFWFLSA-N -1 0 339.416 3.821 20 0 EHADRM Cc1n[nH]cc1-c1n[n-]c(=NCc2cccc(-c3ccccc3)c2)s1 ZINC000436156466 1044264018 /nfs/dbraw/zinc/26/40/18/1044264018.db2.gz PGBCQBYOFMDDPA-UHFFFAOYSA-N -1 0 347.447 3.938 20 0 EHADRM CC(C)(C)c1ccc(CCCC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000236583320 1044480703 /nfs/dbraw/zinc/48/07/03/1044480703.db2.gz MNVMPPKFCNDQLD-WBVHZDCISA-N -1 0 331.456 3.676 20 0 EHADRM CC(C)[C@H](NC(=O)Nc1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC000324629448 1044490231 /nfs/dbraw/zinc/49/02/31/1044490231.db2.gz UFLJIBXPGZHRIG-INIZCTEOSA-N -1 0 328.368 3.710 20 0 EHADRM CC(C)(C)c1ccc(OCC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000236591656 1044499827 /nfs/dbraw/zinc/49/98/27/1044499827.db2.gz ZFWSQPCCSOTHGS-INIZCTEOSA-N -1 0 347.455 3.609 20 0 EHADRM COC(=O)c1c[nH]c(SCc2nc(-c3ccsc3)oc2C)n1 ZINC000432673093 1044698273 /nfs/dbraw/zinc/69/82/73/1044698273.db2.gz VUDDCYAQEPFPMF-UHFFFAOYSA-N -1 0 335.410 3.514 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc(C(F)(F)F)c1 ZINC000261634222 1044864298 /nfs/dbraw/zinc/86/42/98/1044864298.db2.gz DHYXDMJTFSAMDV-GDLCADMTSA-N -1 0 341.329 3.563 20 0 EHADRM COc1cc(NC(=O)c2ccc(O)cc2F)ccc1Br ZINC000154956652 1125769730 /nfs/dbraw/zinc/76/97/30/1125769730.db2.gz GOBILNOEMBSRNE-UHFFFAOYSA-N -1 0 340.148 3.555 20 0 EHADRM O=C(NCC1CCC(F)(F)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000622583841 1126724475 /nfs/dbraw/zinc/72/44/75/1126724475.db2.gz HIVLZYMQDUXTMS-UHFFFAOYSA-N -1 0 337.288 3.966 20 0 EHADRM CN(C)C(=O)Sc1ccc(NC(=O)c2c([O-])cccc2F)cc1 ZINC000185050131 1126743239 /nfs/dbraw/zinc/74/32/39/1126743239.db2.gz ZPRNPDRGDDXPNU-UHFFFAOYSA-N -1 0 334.372 3.557 20 0 EHADRM Cc1c(Cl)c(CN2CCC[C@H](C)[C@H]2C(=O)[O-])nc2ccccc12 ZINC000336874345 1126813681 /nfs/dbraw/zinc/81/36/81/1126813681.db2.gz YRGJUKLUTIYBQR-GTNSWQLSSA-N -1 0 332.831 3.882 20 0 EHADRM O=C(CCCC(F)(F)F)N=c1ccc(-c2ccc(Cl)s2)n[n-]1 ZINC000622929098 1126830657 /nfs/dbraw/zinc/83/06/57/1126830657.db2.gz CROTZQDXUKCRRA-UHFFFAOYSA-N -1 0 349.765 3.952 20 0 EHADRM Cc1sc(C)c(S(=O)(=O)[N-]c2ccc(C(F)F)nc2)c1C ZINC000901680050 1126864528 /nfs/dbraw/zinc/86/45/28/1126864528.db2.gz BBWSKQHBAKQNNK-UHFFFAOYSA-N -1 0 332.397 3.807 20 0 EHADRM CN(C)c1ccc(CCC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000325067185 1126936773 /nfs/dbraw/zinc/93/67/73/1126936773.db2.gz WAVCNMNJFDLHPC-UHFFFAOYSA-N -1 0 346.814 3.676 20 0 EHADRM COCCOc1ccccc1NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000073055318 1126992485 /nfs/dbraw/zinc/99/24/85/1126992485.db2.gz DSAXEZUCNXFFLY-UHFFFAOYSA-N -1 0 344.392 3.768 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)c(C)o1 ZINC000182806755 1127349131 /nfs/dbraw/zinc/34/91/31/1127349131.db2.gz JRTRPWAOVSYITA-UHFFFAOYSA-N -1 0 333.331 3.802 20 0 EHADRM CC(C)c1ccc(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)s1 ZINC000193084314 1127432464 /nfs/dbraw/zinc/43/24/64/1127432464.db2.gz WSOCCIIALZDRRA-GOSISDBHSA-N -1 0 331.437 3.644 20 0 EHADRM CC(C)C[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000765603418 1127701494 /nfs/dbraw/zinc/70/14/94/1127701494.db2.gz HDRKGLLVQJJKQV-OAHLLOKOSA-N -1 0 345.464 3.841 20 0 EHADRM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)cc1 ZINC000032084835 1127846131 /nfs/dbraw/zinc/84/61/31/1127846131.db2.gz HPNLPXZLQFWWIJ-UHFFFAOYSA-N -1 0 329.425 3.562 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CC2CC2)C(=O)[O-])sc1-c1ccc(F)cc1 ZINC000347522192 1128036838 /nfs/dbraw/zinc/03/68/38/1128036838.db2.gz QAWQDRLMKPXMCS-AWEZNQCLSA-N -1 0 347.411 3.846 20 0 EHADRM O=C(Nc1ccc(F)c(C(F)F)c1)c1nn(-c2ccccc2)cc1[O-] ZINC001649104319 1128262437 /nfs/dbraw/zinc/26/24/37/1128262437.db2.gz DJZWCBISCKSTKL-UHFFFAOYSA-N -1 0 347.296 3.907 20 0 EHADRM Clc1ccc2c(c1)[C@@H](N=c1nc(C3CCOCC3)[n-]s1)CCC2 ZINC000624668009 1128423549 /nfs/dbraw/zinc/42/35/49/1128423549.db2.gz LVRLBWUUPUOVKQ-HNNXBMFYSA-N -1 0 349.887 3.997 20 0 EHADRM C[C@H](Cl)c1nc(=O)c2sc(-c3ccc4c(c3)OCCO4)cc2[n-]1 ZINC000053854215 1128423944 /nfs/dbraw/zinc/42/39/44/1128423944.db2.gz GUNRIJGFELSLCI-QMMMGPOBSA-N -1 0 348.811 3.723 20 0 EHADRM COc1cc(/C=C/c2ncc(/C=C/C(=O)[O-])s2)cc(Cl)c1O ZINC000751041063 1128437907 /nfs/dbraw/zinc/43/79/07/1128437907.db2.gz XAPVCRXUUAPUAW-ZUVMSYQZSA-N -1 0 337.784 3.779 20 0 EHADRM Cc1cc(C)c(NS(=O)(=O)c2ccc3c(c2)N(C)CCC3)c(C)c1 ZINC000091053840 1128441780 /nfs/dbraw/zinc/44/17/80/1128441780.db2.gz PTCQUCJESZNMMF-UHFFFAOYSA-N -1 0 344.480 3.795 20 0 EHADRM Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000106724426 1128509251 /nfs/dbraw/zinc/50/92/51/1128509251.db2.gz QZVZLSQHWCAEGP-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)c2nccc3ccccc32)s1 ZINC000338681768 1128515512 /nfs/dbraw/zinc/51/55/12/1128515512.db2.gz UKAHPOVPNZJJKF-UHFFFAOYSA-N -1 0 326.425 3.664 20 0 EHADRM CCN(CC(C)C)C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000542727372 1128563939 /nfs/dbraw/zinc/56/39/39/1128563939.db2.gz HMGFDXULQMHGAW-UHFFFAOYSA-N -1 0 338.864 3.790 20 0 EHADRM O=C(Cc1cccc2ccccc21)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000057753451 1128664080 /nfs/dbraw/zinc/66/40/80/1128664080.db2.gz HWEZJZUHSBDMMW-UHFFFAOYSA-N -1 0 345.358 3.777 20 0 EHADRM C[C@H](Nc1nc(-c2ccccc2)ns1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656091658 1128733821 /nfs/dbraw/zinc/73/38/21/1128733821.db2.gz GSQIAFQJFVMIRF-WCFLWFBJSA-N -1 0 331.441 3.752 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000327292231 1128741958 /nfs/dbraw/zinc/74/19/58/1128741958.db2.gz NEOZPZRTNWAHJG-GLQYFDAESA-N -1 0 345.370 3.738 20 0 EHADRM CC(C)c1n[n-]c(=N[C@H](C)c2ccc(-n3cccn3)c(F)c2)s1 ZINC000338748454 1128836970 /nfs/dbraw/zinc/83/69/70/1128836970.db2.gz JBMRBTBYEULVOR-LLVKDONJSA-N -1 0 331.420 3.581 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2OC(F)F)c1 ZINC000007409133 1128865738 /nfs/dbraw/zinc/86/57/38/1128865738.db2.gz CAQHMRBWLNENLE-UHFFFAOYSA-N -1 0 327.352 3.706 20 0 EHADRM C[C@H](CCCc1cccnc1)NC(=O)c1cc(F)cc(Cl)c1[O-] ZINC001648842331 1120052675 /nfs/dbraw/zinc/05/26/75/1120052675.db2.gz GMIDDLZOOLXTBH-LLVKDONJSA-N -1 0 336.794 3.721 20 0 EHADRM Cc1nnccc1C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000534284554 1120365094 /nfs/dbraw/zinc/36/50/94/1120365094.db2.gz UWWDEEMPPLRUNM-UHFFFAOYSA-N -1 0 332.574 3.703 20 0 EHADRM Cc1oc2ccccc2c1CNC(=O)c1cc(F)c(F)c([O-])c1F ZINC000186233558 1120450374 /nfs/dbraw/zinc/45/03/74/1120450374.db2.gz KJHUXVDGGOJYLY-UHFFFAOYSA-N -1 0 335.281 3.794 20 0 EHADRM CCC[C@@H](C)[C@@H]1CCCN1C(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000494226784 1120507333 /nfs/dbraw/zinc/50/73/33/1120507333.db2.gz KCCVPQZMVRIBLM-NEPJUHHUSA-N -1 0 334.445 3.653 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccc(C(C)(C)C)cc1 ZINC000914447177 1120757047 /nfs/dbraw/zinc/75/70/47/1120757047.db2.gz JOHQPQDRCQURTD-LBPRGKRZSA-N -1 0 326.396 3.568 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c2cccnc12 ZINC000193125549 1120759949 /nfs/dbraw/zinc/75/99/49/1120759949.db2.gz RPTPLXCJAVHCOH-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM O=C([O-])c1ccc(-c2nc(=O)c3c4c(sc3[nH]2)CCCC4)s1 ZINC000494887924 1120894956 /nfs/dbraw/zinc/89/49/56/1120894956.db2.gz WHQCFNDDQHZZRV-UHFFFAOYSA-N -1 0 332.406 3.702 20 0 EHADRM COc1ccc2cc(CN(C)C(=O)c3ncc(C)cc3O)ccc2c1 ZINC000494960732 1120915388 /nfs/dbraw/zinc/91/53/88/1120915388.db2.gz YCLUWVUARBYNRH-UHFFFAOYSA-N -1 0 336.391 3.530 20 0 EHADRM CCc1n[n-]c(=NC(=O)N2CCC[C@H]2CCCc2ccccc2)s1 ZINC000495130649 1120964658 /nfs/dbraw/zinc/96/46/58/1120964658.db2.gz SPNZFNZQRIROKF-OAHLLOKOSA-N -1 0 344.484 3.542 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c2ccccc12 ZINC000914729424 1120966274 /nfs/dbraw/zinc/96/62/74/1120966274.db2.gz RNHJGWDGDYSTSE-UHFFFAOYSA-N -1 0 339.322 3.938 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CC[C@@H](C)[C@H](C)C3)n2)c1 ZINC000495161298 1120973955 /nfs/dbraw/zinc/97/39/55/1120973955.db2.gz GENIQGIWODIXJM-HUUCEWRRSA-N -1 0 341.455 3.819 20 0 EHADRM CSCc1ccccc1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000761974613 1121027560 /nfs/dbraw/zinc/02/75/60/1121027560.db2.gz CVHNTJTWKBCMDQ-UHFFFAOYSA-N -1 0 346.836 3.538 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)C(C)(C)CC(C)C ZINC000153484348 1121213185 /nfs/dbraw/zinc/21/31/85/1121213185.db2.gz VMFMCLGKDLIION-UHFFFAOYSA-N -1 0 331.865 3.526 20 0 EHADRM O=C(Nc1ccc(N2CCC2=O)cc1)c1cc(O)c2ccccc2c1 ZINC000356364608 1128975085 /nfs/dbraw/zinc/97/50/85/1128975085.db2.gz MZMKCRBPORNBIV-UHFFFAOYSA-N -1 0 332.359 3.534 20 0 EHADRM O=S(=O)(Cc1ccc(Cl)cc1Cl)[N-][C@H]1CCCC1(F)F ZINC000672430899 1128975713 /nfs/dbraw/zinc/97/57/13/1128975713.db2.gz LCEXTRGFXHYVON-NSHDSACASA-N -1 0 344.210 3.601 20 0 EHADRM Cc1cccc(S(=O)(=O)Nc2cccc(COCC3CC3)c2)c1 ZINC000064938381 1128980517 /nfs/dbraw/zinc/98/05/17/1128980517.db2.gz BXUVQZBXIRKORO-UHFFFAOYSA-N -1 0 331.437 3.722 20 0 EHADRM CC[C@H](C)Oc1ccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000056301970 1121412517 /nfs/dbraw/zinc/41/25/17/1121412517.db2.gz QEHRMSWLYZJHBZ-ZDUSSCGKSA-N -1 0 336.391 3.958 20 0 EHADRM O=C([N-]CCCSc1cccc(Br)c1)C(F)(F)F ZINC000762770742 1121442166 /nfs/dbraw/zinc/44/21/66/1121442166.db2.gz AGEYOBBQLGRDAG-UHFFFAOYSA-N -1 0 342.180 3.610 20 0 EHADRM Cc1cc(C(=O)COC(=O)c2ccc([O-])c(Cl)c2)c(F)cc1F ZINC000762827748 1121453065 /nfs/dbraw/zinc/45/30/65/1121453065.db2.gz BRESCLWRMVPQJP-UHFFFAOYSA-N -1 0 340.709 3.672 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N[C@H](C)c2nc(C)c(C(=O)[O-])s2)cc1 ZINC000236972011 1121470276 /nfs/dbraw/zinc/47/02/76/1121470276.db2.gz DGFVQBWYSDNTMQ-CMPLNLGQSA-N -1 0 346.452 3.693 20 0 EHADRM CCc1sc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])cc1C ZINC000237101523 1121474236 /nfs/dbraw/zinc/47/42/36/1121474236.db2.gz JIVFGWDOYBIPFY-CQSZACIVSA-N -1 0 345.464 3.982 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000238026261 1121500270 /nfs/dbraw/zinc/50/02/70/1121500270.db2.gz CFLJRUBBLCFCGC-INIZCTEOSA-N -1 0 329.783 3.919 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc3c(c2)C=CCCC3)C1 ZINC000656604518 1128993715 /nfs/dbraw/zinc/99/37/15/1128993715.db2.gz GPPGGYSJXZPFME-XJKSGUPXSA-N -1 0 328.412 3.611 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000762962082 1121614375 /nfs/dbraw/zinc/61/43/75/1121614375.db2.gz IQSOFWNVYPIDJN-QWHCGFSZSA-N -1 0 328.368 3.998 20 0 EHADRM Cc1oc(CN(C)C(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000262505651 1121616676 /nfs/dbraw/zinc/61/66/76/1121616676.db2.gz OCZRAQKCVPIMEC-UHFFFAOYSA-N -1 0 341.285 3.577 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cccc(OC(F)F)c1 ZINC000762966226 1121618711 /nfs/dbraw/zinc/61/87/11/1121618711.db2.gz CGYRMCRFCLXBPI-UHFFFAOYSA-N -1 0 336.319 3.970 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cc2c(c(Cl)c1)OCO2 ZINC000762966833 1121619306 /nfs/dbraw/zinc/61/93/06/1121619306.db2.gz HQUQNDPMKZMWTK-UHFFFAOYSA-N -1 0 348.767 3.751 20 0 EHADRM CCc1ccccc1OCC(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000762966827 1121619606 /nfs/dbraw/zinc/61/96/06/1121619606.db2.gz HMLKUBCQINPLIS-UHFFFAOYSA-N -1 0 328.393 3.696 20 0 EHADRM Cc1cccc(O[C@H](C)C(=O)Nc2ccc3[n-]c(=S)oc3c2)c1 ZINC000762968346 1121619667 /nfs/dbraw/zinc/61/96/67/1121619667.db2.gz WWZKIKSNZSHIMZ-LLVKDONJSA-N -1 0 328.393 3.831 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)CCO2)c1c(Cl)cccc1Cl ZINC000026543795 1121664147 /nfs/dbraw/zinc/66/41/47/1121664147.db2.gz JWBZJAJNWYSEGU-UHFFFAOYSA-N -1 0 344.219 3.729 20 0 EHADRM CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000055644738 1121849713 /nfs/dbraw/zinc/84/97/13/1121849713.db2.gz HQAOZUUEGIHUGE-UHFFFAOYSA-N -1 0 347.436 3.787 20 0 EHADRM O=C([O-])c1cc(NC(=O)C(F)(F)c2ccccc2)ccc1Cl ZINC000916046926 1122033263 /nfs/dbraw/zinc/03/32/63/1122033263.db2.gz AMFPYYOLEQJZIR-UHFFFAOYSA-N -1 0 325.698 3.769 20 0 EHADRM O=C([N-]S(=O)(=O)/C=C/c1ccccc1)c1csc2ccccc12 ZINC000916184202 1122085349 /nfs/dbraw/zinc/08/53/49/1122085349.db2.gz SPIGSRYFRSHIPZ-ZHACJKMWSA-N -1 0 343.429 3.632 20 0 EHADRM C[C@H](NC(=O)c1ccc(F)cc1[O-])c1ncc(-c2ccccc2)o1 ZINC000123893962 1122268269 /nfs/dbraw/zinc/26/82/69/1122268269.db2.gz HWWLLAVYXCEVMQ-NSHDSACASA-N -1 0 326.327 3.677 20 0 EHADRM COc1ccc(O)c([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000125616324 1122322053 /nfs/dbraw/zinc/32/20/53/1122322053.db2.gz NOHVNFYXARSXND-UHFFFAOYSA-N -1 0 348.207 3.508 20 0 EHADRM CCCCC1CCC(C(=O)[N-]S(=O)(=O)c2ccc(C)s2)CC1 ZINC000916781109 1122347170 /nfs/dbraw/zinc/34/71/70/1122347170.db2.gz DACWTWWOWZTNFJ-UHFFFAOYSA-N -1 0 343.514 3.858 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2C)c(C)s1 ZINC000152603653 1122363699 /nfs/dbraw/zinc/36/36/99/1122363699.db2.gz JPUGUTJIGFELRP-UHFFFAOYSA-N -1 0 347.465 3.660 20 0 EHADRM Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1cc(C)cc(F)c1 ZINC000126527744 1122410597 /nfs/dbraw/zinc/41/05/97/1122410597.db2.gz GADUPPXVFIXLBU-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM Cc1ccc(Cc2n[n-]c(=NC(=O)N3CCCC(C)(C)C3)s2)cc1 ZINC000497777985 1122663823 /nfs/dbraw/zinc/66/38/23/1122663823.db2.gz CJPQERWGBLEZOR-UHFFFAOYSA-N -1 0 344.484 3.513 20 0 EHADRM Cc1ccc(/C=C\S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)cc1 ZINC000917734928 1122673966 /nfs/dbraw/zinc/67/39/66/1122673966.db2.gz NALZYXXRLAKBAD-OWBHPGMISA-N -1 0 339.420 3.593 20 0 EHADRM CC(C)CN(C(C)C)S(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000917893301 1122707833 /nfs/dbraw/zinc/70/78/33/1122707833.db2.gz NWYPTCZIPWJNOS-UHFFFAOYSA-N -1 0 341.473 3.563 20 0 EHADRM COc1ccc(NS(=O)(=O)c2cccc(Cl)c2C)c(C)c1 ZINC000170708256 1122787875 /nfs/dbraw/zinc/78/78/75/1122787875.db2.gz ICCPVXLUUMKXSO-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1cccc2c1OCO2 ZINC000154692963 1122790695 /nfs/dbraw/zinc/79/06/95/1122790695.db2.gz DYPDEEACLXVDHM-UHFFFAOYSA-N -1 0 326.135 3.680 20 0 EHADRM O=C(NCC1CCCCCCC1)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000918370461 1122794783 /nfs/dbraw/zinc/79/47/83/1122794783.db2.gz ZPYVZZRKUBHVDL-UHFFFAOYSA-N -1 0 345.468 3.714 20 0 EHADRM CC[C@@H](NC(=O)c1cc(F)cc(Cl)c1[O-])c1c(C)noc1C ZINC000129721330 1122838088 /nfs/dbraw/zinc/83/80/88/1122838088.db2.gz NULRUHVGWSULQF-GFCCVEGCSA-N -1 0 326.755 3.671 20 0 EHADRM C[C@@H](CC(=O)N1CCC[C@@H](CC(=O)[O-])C1)Cc1ccc(Cl)cc1 ZINC000556145105 1122840538 /nfs/dbraw/zinc/84/05/38/1122840538.db2.gz CFHAHLQDWRKMQV-HIFRSBDPSA-N -1 0 337.847 3.622 20 0 EHADRM [O-]c1c(Cl)cc(Cl)cc1CNc1nnc(-c2ccncc2)o1 ZINC000154760502 1122859367 /nfs/dbraw/zinc/85/93/67/1122859367.db2.gz BOWIDKFPSQTSIK-UHFFFAOYSA-N -1 0 337.166 3.756 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H]2CCc3ccc(-c4ccccc4)cc32)C1 ZINC000262819562 1122981259 /nfs/dbraw/zinc/98/12/59/1122981259.db2.gz ATBRKFNKPUFMMJ-NSHGMRRFSA-N -1 0 349.430 3.958 20 0 EHADRM O=S(=O)([N-]c1ccc(C(F)(F)F)cn1)c1cccc(Cl)c1 ZINC000071675407 1122991645 /nfs/dbraw/zinc/99/16/45/1122991645.db2.gz CAYKMCYFSQHQPZ-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM O=S(=O)([N-]c1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1 ZINC000071675404 1122991952 /nfs/dbraw/zinc/99/19/52/1122991952.db2.gz VJHKVVBMESEREE-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM CCc1ccc2nc([N-]S(=O)(=O)Cc3ccccc3)sc2c1 ZINC000556570971 1123044018 /nfs/dbraw/zinc/04/40/18/1123044018.db2.gz QIUUUFKREQGNJG-UHFFFAOYSA-N -1 0 332.450 3.801 20 0 EHADRM C/C=C/C[C@H](NC(=O)N[C@@H](C)c1cccc2ccccc21)C(=O)[O-] ZINC000556681056 1123081286 /nfs/dbraw/zinc/08/12/86/1123081286.db2.gz MMJHHQODFVZVFL-IXYMFUOYSA-N -1 0 326.396 3.619 20 0 EHADRM C/C=C/C[C@H](NC(=O)N[C@H](C)c1cccc2ccccc21)C(=O)[O-] ZINC000556681058 1123081384 /nfs/dbraw/zinc/08/13/84/1123081384.db2.gz MMJHHQODFVZVFL-ZIWYEXBPSA-N -1 0 326.396 3.619 20 0 EHADRM O=S(=O)([N-]c1cc(O)cc(F)c1)c1c(Cl)cccc1Cl ZINC000131394467 1123097315 /nfs/dbraw/zinc/09/73/15/1123097315.db2.gz CWBKTIDATMAHFK-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM O=S(=O)([N-]c1nc2c(s1)CCCC2)c1cc2ccccc2o1 ZINC000131588545 1123144007 /nfs/dbraw/zinc/14/40/07/1123144007.db2.gz HDHCCFBSNSBVLG-UHFFFAOYSA-N -1 0 334.422 3.569 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2cnco2)cc1)c1cc2ccccc2o1 ZINC000131735807 1123173865 /nfs/dbraw/zinc/17/38/65/1123173865.db2.gz NHJMMGJDYNBVQJ-UHFFFAOYSA-N -1 0 340.360 3.889 20 0 EHADRM CCCCOc1cccc([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000919958390 1123246416 /nfs/dbraw/zinc/24/64/16/1123246416.db2.gz ISLLYAQLWJHIDN-UHFFFAOYSA-N -1 0 341.379 3.945 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(F)c2C)c1 ZINC000075082470 1123361286 /nfs/dbraw/zinc/36/12/86/1123361286.db2.gz NDOXFZQKAVUEEB-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CC[C@@H](CC(=O)N1CCc2cccc(C(=O)[O-])c2C1)c1ccccc1 ZINC000649258078 1123461731 /nfs/dbraw/zinc/46/17/31/1123461731.db2.gz HEAFDCHAZBRTEI-HNNXBMFYSA-N -1 0 337.419 3.853 20 0 EHADRM O=C([O-])c1cccc2c1CN(C(=O)CCc1ccc(Cl)s1)CC2 ZINC000649258319 1123462688 /nfs/dbraw/zinc/46/26/88/1123462688.db2.gz OYUPBZPCKATDMK-UHFFFAOYSA-N -1 0 349.839 3.617 20 0 EHADRM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C)c1cccc(Cl)c1 ZINC000750707905 1123478318 /nfs/dbraw/zinc/47/83/18/1123478318.db2.gz HWVIEKBZFQEYIW-CQSZACIVSA-N -1 0 345.892 3.572 20 0 EHADRM CC(C)n1cc2cc([N-]S(=O)(=O)c3ccccc3F)ccc2n1 ZINC000134034833 1123485402 /nfs/dbraw/zinc/48/54/02/1123485402.db2.gz MXVCNPMPUAFXTM-UHFFFAOYSA-N -1 0 333.388 3.557 20 0 EHADRM COc1ccc2ccccc2c1CNC(=O)c1c([O-])cc(F)cc1F ZINC000066044181 1129125750 /nfs/dbraw/zinc/12/57/50/1129125750.db2.gz ZSOGDHSRPILDTK-UHFFFAOYSA-N -1 0 343.329 3.762 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)c2cc3cc(F)ccc3o2)sc1C(=O)[O-] ZINC000237334659 1123513022 /nfs/dbraw/zinc/51/30/22/1123513022.db2.gz VBJMAOLDOADWHT-MRVPVSSYSA-N -1 0 348.355 3.526 20 0 EHADRM COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(O)c2)cc1Cl ZINC000134611474 1123536675 /nfs/dbraw/zinc/53/66/75/1123536675.db2.gz LGPNHUGHAJSENV-UHFFFAOYSA-N -1 0 348.207 3.508 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2F)cc1C ZINC000134770179 1123552481 /nfs/dbraw/zinc/55/24/81/1123552481.db2.gz PMILABLVVKQKMF-UHFFFAOYSA-N -1 0 341.791 3.791 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC2(c3ccc(Cl)cc3)CCCC2)o1 ZINC000238004119 1123555044 /nfs/dbraw/zinc/55/50/44/1123555044.db2.gz NMNFJLCOSBFMKW-UHFFFAOYSA-N -1 0 333.771 3.831 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCc1cccc(Cl)c1)c1ccc(F)cc1 ZINC000238210478 1123571104 /nfs/dbraw/zinc/57/11/04/1123571104.db2.gz AFRVTTRIYVRADX-INIZCTEOSA-N -1 0 349.789 3.744 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2ccccc2Cc2ccccc2)c1 ZINC000238217985 1123571485 /nfs/dbraw/zinc/57/14/85/1123571485.db2.gz FCINXNBXTNDIGD-UHFFFAOYSA-N -1 0 345.398 3.906 20 0 EHADRM CCCCn1ncc(NC(=O)c2cc(Cl)c(O)c(OC)c2)c1C ZINC000135204161 1123590986 /nfs/dbraw/zinc/59/09/86/1123590986.db2.gz LJMADQDFHMPXFA-UHFFFAOYSA-N -1 0 337.807 3.612 20 0 EHADRM CCC(=O)c1cccc([N-]S(=O)(=O)c2cc3ccccc3o2)c1 ZINC000135388757 1123606946 /nfs/dbraw/zinc/60/69/46/1123606946.db2.gz ALKBFSRSLHVPNF-UHFFFAOYSA-N -1 0 329.377 3.826 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1cccc(C2SCCS2)c1 ZINC000263270241 1123692806 /nfs/dbraw/zinc/69/28/06/1123692806.db2.gz IBJSMTAOPCDSEY-UHFFFAOYSA-N -1 0 325.455 3.749 20 0 EHADRM CN(C(=O)N=c1[n-]nc(C(C)(C)C)s1)[C@H]1CCCc2ccccc21 ZINC000615567151 1123826746 /nfs/dbraw/zinc/82/67/46/1123826746.db2.gz CQWVDJBBNSIQCR-AWEZNQCLSA-N -1 0 344.484 3.799 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)N[C@@H](c2cccs2)C2CC2)s1 ZINC000615567788 1123828030 /nfs/dbraw/zinc/82/80/30/1123828030.db2.gz ZMFOGRITPKARBC-LLVKDONJSA-N -1 0 336.486 3.592 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)c2cc3cc(F)ccc3o2)cc1 ZINC000237954884 1123921096 /nfs/dbraw/zinc/92/10/96/1123921096.db2.gz LWVSRRRWMFQLRR-FPYGCLRLSA-N -1 0 325.295 3.922 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)cc1 ZINC000237947105 1123925828 /nfs/dbraw/zinc/92/58/28/1123925828.db2.gz RAEOBBHGVWHSOW-OSWFYRBGSA-N -1 0 343.329 3.805 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cccc(C(F)(F)F)c1 ZINC000237992840 1123941826 /nfs/dbraw/zinc/94/18/26/1123941826.db2.gz RBJSNNKTJHZJOC-CYBMUJFWSA-N -1 0 329.318 3.565 20 0 EHADRM CC[C@H](OC)C(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000068721915 1124009485 /nfs/dbraw/zinc/00/94/85/1124009485.db2.gz ILPMZJKDLSNQBD-INIZCTEOSA-N -1 0 339.457 3.805 20 0 EHADRM COc1ccc(/C=C/C(=O)c2cccc(O[C@H](C)C(=O)[O-])c2)cc1C ZINC000068726418 1124010649 /nfs/dbraw/zinc/01/06/49/1124010649.db2.gz MHNZTIQDRGQVEO-RCQQVGEISA-N -1 0 340.375 3.752 20 0 EHADRM C[C@@H](CN(C(=O)c1cc(Cl)cc(C(F)(F)F)c1)C1CC1)C(=O)[O-] ZINC000263542342 1124050743 /nfs/dbraw/zinc/05/07/43/1124050743.db2.gz RPCBGWLZMSUQHU-QMMMGPOBSA-N -1 0 349.736 3.684 20 0 EHADRM CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H](C)CCC(=O)[O-] ZINC000263551295 1124082034 /nfs/dbraw/zinc/08/20/34/1124082034.db2.gz WODAHEQMNXCHGA-YPMHNXCESA-N -1 0 345.361 3.644 20 0 EHADRM CC(C)c1cccc(-c2ccc(C([O-])=C(C#N)C(=O)NC3CC3)o2)c1 ZINC000181100901 1124525109 /nfs/dbraw/zinc/52/51/09/1124525109.db2.gz DIHNLPKJVYWITP-MRXNPFEDSA-N -1 0 336.391 3.671 20 0 EHADRM CC[C@@H](CN(CC)C(=O)C1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000263577628 1124661023 /nfs/dbraw/zinc/66/10/23/1124661023.db2.gz RQQBXNZBNIFOJP-ZLPCBKJTSA-N -1 0 331.456 3.920 20 0 EHADRM O=C([O-])[C@@H]1CN(Cc2cccc(Cl)c2Cl)C[C@H]1C(F)(F)F ZINC000263579260 1124688946 /nfs/dbraw/zinc/68/89/46/1124688946.db2.gz UKEMIUWAJWFDDF-RKDXNWHRSA-N -1 0 342.144 3.688 20 0 EHADRM O=C(CCC(=O)c1ccc(F)c(F)c1)Nc1cccc(Cl)c1[O-] ZINC000088375614 1124767218 /nfs/dbraw/zinc/76/72/18/1124767218.db2.gz XKXZHFRWYMWPIH-UHFFFAOYSA-N -1 0 339.725 3.925 20 0 EHADRM CC(C)(CNC(=O)c1sc2cccc(F)c2c1Cl)C(=O)[O-] ZINC000901486417 1124806852 /nfs/dbraw/zinc/80/68/52/1124806852.db2.gz GLNQDUNIVYHHHA-UHFFFAOYSA-N -1 0 329.780 3.534 20 0 EHADRM CC(C)Cc1nc(=NC(=O)c2cnc(-c3ccccc3)s2)s[n-]1 ZINC000618346695 1125056897 /nfs/dbraw/zinc/05/68/97/1125056897.db2.gz DTLKCMVVWUAVMC-UHFFFAOYSA-N -1 0 344.465 3.534 20 0 EHADRM CC[C@@H]1C[C@@H](C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)CCO1 ZINC000182583955 1125338531 /nfs/dbraw/zinc/33/85/31/1125338531.db2.gz CWZJJANOXGQOKJ-SQWLQELKSA-N -1 0 338.407 3.573 20 0 EHADRM CC(=O)c1ccc(C([O-])=C(C#N)C(=O)c2c(C)[nH]c3ccccc32)cc1 ZINC000182846818 1125382355 /nfs/dbraw/zinc/38/23/55/1125382355.db2.gz RJFVLAONEIHAPP-QGZVFWFLSA-N -1 0 344.370 3.884 20 0 EHADRM COc1cc2c(cc1NC(=O)[C@H]1CC[C@@H]1C(=O)[O-])oc1ccccc12 ZINC000262258883 1125417226 /nfs/dbraw/zinc/41/72/26/1125417226.db2.gz XJKGKBRNHSAURL-RYUDHWBXSA-N -1 0 339.347 3.644 20 0 EHADRM O=C(N[C@H](c1ccccc1)C1CCC1)c1n[n-]c2ccccc2c1=O ZINC000735522460 1131354204 /nfs/dbraw/zinc/35/42/04/1131354204.db2.gz IMMXLUVMKCOKES-QGZVFWFLSA-N -1 0 333.391 3.607 20 0 EHADRM C[C@@H](Sc1n[n-]c(=NCCc2cccs2)s1)c1ccncc1 ZINC000619950808 1125442279 /nfs/dbraw/zinc/44/22/79/1125442279.db2.gz XBNFATUVNCSFSM-LLVKDONJSA-N -1 0 348.522 3.924 20 0 EHADRM CC(C)(C)n1ncc(C(=O)[O-])c1-c1ccccc1OC(F)(F)F ZINC000657204979 1129204125 /nfs/dbraw/zinc/20/41/25/1129204125.db2.gz NCCTVYQKANLINO-UHFFFAOYSA-N -1 0 328.290 3.902 20 0 EHADRM C[C@H]1CN(Cc2ccc(Br)cc2Cl)CC[C@@H]1C(=O)[O-] ZINC000311577527 1129227788 /nfs/dbraw/zinc/22/77/88/1129227788.db2.gz SODWUWBSNUAJKC-CABZTGNLSA-N -1 0 346.652 3.645 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccsc2)s1)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000466132737 1129236620 /nfs/dbraw/zinc/23/66/20/1129236620.db2.gz NOHYBDSTGGJAJI-NTZNESFSSA-N -1 0 348.497 3.779 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cn1)c1cccc(Cl)c1Cl ZINC000068300375 1129359316 /nfs/dbraw/zinc/35/93/16/1129359316.db2.gz WAMQWWSJBUFBRQ-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)C1(c2ccccc2)CCC1 ZINC000068297580 1129359423 /nfs/dbraw/zinc/35/94/23/1129359423.db2.gz IQVQZVAYDLEOAW-UHFFFAOYSA-N -1 0 335.363 3.503 20 0 EHADRM CCCc1nc(=NC(=O)c2cncc(-c3ccc(C)cc3)c2)s[n-]1 ZINC000466296187 1129370981 /nfs/dbraw/zinc/37/09/81/1129370981.db2.gz JARYFMPDOGERHI-UHFFFAOYSA-N -1 0 338.436 3.535 20 0 EHADRM CCCC(=O)Nc1cccc(NC(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000358599891 1129404565 /nfs/dbraw/zinc/40/45/65/1129404565.db2.gz XSLNCBFOAISERF-UHFFFAOYSA-N -1 0 344.342 3.515 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000358604339 1129405281 /nfs/dbraw/zinc/40/52/81/1129405281.db2.gz FLLYGCAAZHLWNT-UHFFFAOYSA-N -1 0 341.791 3.901 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc2ccccc2o1)c1ccc(F)cc1 ZINC000013176887 1129508749 /nfs/dbraw/zinc/50/87/49/1129508749.db2.gz PBKOSEQPUFXJPO-AWEZNQCLSA-N -1 0 327.311 3.518 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000013249037 1129512226 /nfs/dbraw/zinc/51/22/26/1129512226.db2.gz DYDLHLGJFPYHQN-NXEZZACHSA-N -1 0 347.720 3.964 20 0 EHADRM O=C([N-]c1nc(Cc2ccccc2)ns1)c1c(F)cc(F)cc1F ZINC000154884695 1129595956 /nfs/dbraw/zinc/59/59/56/1129595956.db2.gz QSBNMHPLKVDDFU-UHFFFAOYSA-N -1 0 349.337 3.799 20 0 EHADRM CCCCCOc1cc(CN=c2[n-]c(C3CC3)no2)ccc1OC ZINC000347749109 1129681308 /nfs/dbraw/zinc/68/13/08/1129681308.db2.gz USPVEPXSTLNDBY-UHFFFAOYSA-N -1 0 331.416 3.559 20 0 EHADRM CCOc1cccc([N-]S(=O)(=O)c2cc(C)cc(C)c2OC)c1 ZINC000509102787 1129748160 /nfs/dbraw/zinc/74/81/60/1129748160.db2.gz KIGDFKARZOAZQE-UHFFFAOYSA-N -1 0 335.425 3.512 20 0 EHADRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc2oc(C)nc2c1 ZINC000509100929 1129749499 /nfs/dbraw/zinc/74/94/99/1129749499.db2.gz VBXAWISGSXSRNA-UHFFFAOYSA-N -1 0 346.408 3.562 20 0 EHADRM CCCCc1n[n-]c(=NCc2ccc(OC)c(OC(F)F)c2)s1 ZINC000347790077 1129783542 /nfs/dbraw/zinc/78/35/42/1129783542.db2.gz CWLXOEJEASJJRN-UHFFFAOYSA-N -1 0 343.399 3.525 20 0 EHADRM CCc1ccc([C@@H](COC)NC(=O)c2ccc3[n-]c(=S)oc3c2)o1 ZINC000073971039 1129871140 /nfs/dbraw/zinc/87/11/40/1129871140.db2.gz YNYKHUZRGZHFHI-CYBMUJFWSA-N -1 0 346.408 3.763 20 0 EHADRM O=C([N-]OC1CCCC1)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000282479128 1129925068 /nfs/dbraw/zinc/92/50/68/1129925068.db2.gz VFOSJOSBBNANCI-DOMZBBRYSA-N -1 0 327.783 3.547 20 0 EHADRM Cc1ccc(-c2cncc(F)c2)cc1NC(=O)CC(C)(C)C(=O)[O-] ZINC000282480182 1129927502 /nfs/dbraw/zinc/92/75/02/1129927502.db2.gz CGHFPLHFFNHHBO-UHFFFAOYSA-N -1 0 330.359 3.636 20 0 EHADRM CO[C@H]1CCOc2c(Nc3ccc(C(=O)[O-])c(F)c3F)cccc21 ZINC001212515885 1129927857 /nfs/dbraw/zinc/92/78/57/1129927857.db2.gz TWAYVRSDZZOSDX-ZDUSSCGKSA-N -1 0 335.306 3.877 20 0 EHADRM COc1ccc(Nc2ccc(C(=O)[O-])c(F)c2F)c(OC)c1F ZINC001212516078 1129928304 /nfs/dbraw/zinc/92/83/04/1129928304.db2.gz YBYYFIHSPCTKLV-UHFFFAOYSA-N -1 0 327.258 3.563 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(F)c3c2OCCC3=O)c(F)c1F ZINC001212516468 1129930045 /nfs/dbraw/zinc/93/00/45/1129930045.db2.gz APBOPKZWQHECHX-UHFFFAOYSA-N -1 0 337.253 3.511 20 0 EHADRM O=C(NCCc1cc(Cl)cc(Cl)c1)c1cc(F)cc(F)c1[O-] ZINC001626097071 1129972455 /nfs/dbraw/zinc/97/24/55/1129972455.db2.gz DEAYYRMOAVZNBU-UHFFFAOYSA-N -1 0 346.160 3.950 20 0 EHADRM CCCc1n[n-]c(=NCc2ccc(Br)cc2SC)o1 ZINC000347889021 1129984687 /nfs/dbraw/zinc/98/46/87/1129984687.db2.gz JHWJUALVBZLTAZ-UHFFFAOYSA-N -1 0 342.262 3.541 20 0 EHADRM Cc1cc(CN=c2[n-]nc(CC(C)C)o2)c(OC(F)F)cc1C ZINC000347890286 1129987808 /nfs/dbraw/zinc/98/78/08/1129987808.db2.gz WXOBRRUZFYIAQI-UHFFFAOYSA-N -1 0 325.359 3.520 20 0 EHADRM COc1cccc(S(=O)(=O)Nc2ccc3nc(C4CC4)oc3c2)c1 ZINC000674334164 1130067446 /nfs/dbraw/zinc/06/74/46/1130067446.db2.gz LZWDCFUVIZWXFF-UHFFFAOYSA-N -1 0 344.392 3.515 20 0 EHADRM COc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2C(F)(F)F)c1 ZINC000675156845 1130270060 /nfs/dbraw/zinc/27/00/60/1130270060.db2.gz ILTJOVGSAVHDJA-UHFFFAOYSA-N -1 0 349.305 3.654 20 0 EHADRM O=S(=O)([N-]c1noc2cc(Cl)ccc21)c1ccc(Cl)s1 ZINC000675293759 1130303866 /nfs/dbraw/zinc/30/38/66/1130303866.db2.gz FEYSUVMTHAWBMT-UHFFFAOYSA-N -1 0 349.220 3.997 20 0 EHADRM S=c1[n-]c2ccc(-c3noc(-c4ccc[nH]c4=S)n3)cc2s1 ZINC001212567471 1130411081 /nfs/dbraw/zinc/41/10/81/1130411081.db2.gz ZNGJWBUBTQTHTF-UHFFFAOYSA-N -1 0 344.446 3.986 20 0 EHADRM C[C@H](O)C[C@@H]1CCCCCN1C(=O)c1ccc(C(F)(F)F)c(O)c1 ZINC000672214177 1130472082 /nfs/dbraw/zinc/47/20/82/1130472082.db2.gz PHIQEZXSCCHZSE-AAEUAGOBSA-N -1 0 345.361 3.567 20 0 EHADRM O=C([O-])CCN(CC1CC1)C(=O)c1cccc(Oc2ccccc2)c1 ZINC000675971189 1130512031 /nfs/dbraw/zinc/51/20/31/1130512031.db2.gz PBDUMMREALKABW-UHFFFAOYSA-N -1 0 339.391 3.806 20 0 EHADRM O=C([O-])CN(C(=O)CCCc1c[nH]c2ccccc12)C1CCCCC1 ZINC000675992625 1130513721 /nfs/dbraw/zinc/51/37/21/1130513721.db2.gz LGFNUZIGIUARGA-UHFFFAOYSA-N -1 0 342.439 3.737 20 0 EHADRM C[C@@H](C(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1c(Cl)cccc1Cl ZINC000676217374 1130546597 /nfs/dbraw/zinc/54/65/97/1130546597.db2.gz SMLGLUUUOGOQOR-MNOVXSKESA-N -1 0 344.238 3.810 20 0 EHADRM CCCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccccc1 ZINC000727951595 1130612533 /nfs/dbraw/zinc/61/25/33/1130612533.db2.gz LRKOXDZDZJYNSC-HNNXBMFYSA-N -1 0 325.474 3.629 20 0 EHADRM O=C([O-])C(F)(F)Oc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1 ZINC000730817373 1130742295 /nfs/dbraw/zinc/74/22/95/1130742295.db2.gz QWUQDUDBEGUYSX-UHFFFAOYSA-N -1 0 340.232 3.564 20 0 EHADRM O=C([N-]c1nc(-c2ccsc2)ns1)c1scnc1Cl ZINC000731465601 1130800223 /nfs/dbraw/zinc/80/02/23/1130800223.db2.gz KOXKGXOEZLAYAJ-UHFFFAOYSA-N -1 0 328.831 3.629 20 0 EHADRM O=Cc1c[nH]nc1C=Cc1cccc(OCc2ccccc2C(=O)[O-])c1 ZINC000731564384 1130812349 /nfs/dbraw/zinc/81/23/49/1130812349.db2.gz CLMOGPIGIORYDQ-HJWRWDBZSA-N -1 0 348.358 3.670 20 0 EHADRM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)c1n[n-]c2ccccc2c1=O ZINC000732285026 1130909516 /nfs/dbraw/zinc/90/95/16/1130909516.db2.gz NWPYXWGXKKSAEZ-HIFRSBDPSA-N -1 0 327.428 3.670 20 0 EHADRM CCC(CC)CS(=O)(=O)[N-]C(=O)c1cc2ccc(F)cc2s1 ZINC000733060556 1130990310 /nfs/dbraw/zinc/99/03/10/1130990310.db2.gz RLPUHJJFVCVTKD-UHFFFAOYSA-N -1 0 343.445 3.536 20 0 EHADRM O=C(Nc1nc(-c2ccccn2)cs1)c1c([O-])cccc1Cl ZINC000733358474 1131030602 /nfs/dbraw/zinc/03/06/02/1131030602.db2.gz VZHUFUCFDRSFGN-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)c1oc2ccc(Cl)cc2c1C ZINC000733711321 1131072477 /nfs/dbraw/zinc/07/24/77/1131072477.db2.gz SCDRQFIADHYTJL-UHFFFAOYSA-N -1 0 343.832 3.643 20 0 EHADRM Cc1ccc(SCCC(=O)N[C@@H]2CC[C@H](CC(=O)[O-])C2)cc1C ZINC000379017784 1131169321 /nfs/dbraw/zinc/16/93/21/1131169321.db2.gz BGIROWKBSZMHIY-LSDHHAIUSA-N -1 0 335.469 3.545 20 0 EHADRM C[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000734082032 1131194789 /nfs/dbraw/zinc/19/47/89/1131194789.db2.gz TYSQAWXETDNGIJ-SNVBAGLBSA-N -1 0 347.839 3.500 20 0 EHADRM C[C@@H]1COCCN1c1ccc(NC(=O)c2c([O-])cccc2Cl)cc1 ZINC000738554071 1131471829 /nfs/dbraw/zinc/47/18/29/1131471829.db2.gz SZZOXSOBUVAKPA-GFCCVEGCSA-N -1 0 346.814 3.523 20 0 EHADRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)C[C@H](C)c1ccc(CC)cc1 ZINC000739182552 1131493378 /nfs/dbraw/zinc/49/33/78/1131493378.db2.gz CHHVSXUPABZDMR-CABCVRRESA-N -1 0 339.501 3.625 20 0 EHADRM O=C(NCCCCC1CCCC1)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000743769364 1131976125 /nfs/dbraw/zinc/97/61/25/1131976125.db2.gz GOTCRKQJAGSLJJ-UHFFFAOYSA-N -1 0 345.468 3.714 20 0 EHADRM CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000744003768 1132002661 /nfs/dbraw/zinc/00/26/61/1132002661.db2.gz QRUGJDHEZUXQGC-AWEZNQCLSA-N -1 0 325.474 3.715 20 0 EHADRM Cc1ccc(Nc2c(O)cc(S(=O)(=O)[O-])c3ccccc32)cc1 ZINC001173801304 1132151560 /nfs/dbraw/zinc/15/15/60/1132151560.db2.gz ACYWCJDUNPGHJA-UHFFFAOYSA-N -1 0 329.377 3.844 20 0 EHADRM O=S(=O)([O-])c1cc(O)c(Nc2ccc(F)cc2)c2ccccc21 ZINC001173800183 1132151566 /nfs/dbraw/zinc/15/15/66/1132151566.db2.gz RWJSEBKZVCFSBG-UHFFFAOYSA-N -1 0 333.340 3.675 20 0 EHADRM COc1ccc(C)cc1Nc1ccc(S(=O)(=O)[O-])cc1Cl ZINC001173985653 1132194947 /nfs/dbraw/zinc/19/49/47/1132194947.db2.gz BCZFGMGBCACAQK-UHFFFAOYSA-N -1 0 327.789 3.647 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])c1ccc(Nc2ccccc2C(N)=O)cc1 ZINC001173981192 1132207014 /nfs/dbraw/zinc/20/70/14/1132207014.db2.gz IZLIOSGVQMMVFA-INIZCTEOSA-N -1 0 326.396 3.743 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])c1ccc(Nc2ccccc2C(N)=O)cc1 ZINC001173981193 1132207301 /nfs/dbraw/zinc/20/73/01/1132207301.db2.gz IZLIOSGVQMMVFA-MRXNPFEDSA-N -1 0 326.396 3.743 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])c1ccc(Nc2cccc(C(N)=O)c2)cc1 ZINC001174061605 1132212268 /nfs/dbraw/zinc/21/22/68/1132212268.db2.gz QNNDDVQNMPOCOI-INIZCTEOSA-N -1 0 326.396 3.743 20 0 EHADRM COc1ccc2cc(Nc3cccc(S(=O)(=O)[O-])c3)ccc2c1 ZINC001174033007 1132220716 /nfs/dbraw/zinc/22/07/16/1132220716.db2.gz YCABKTKTLAJPMN-UHFFFAOYSA-N -1 0 329.377 3.839 20 0 EHADRM O=S(=O)([O-])c1ccc(Cl)c(Nc2cncc3ccccc32)c1 ZINC001174102211 1132228538 /nfs/dbraw/zinc/22/85/38/1132228538.db2.gz IELVJZHNAGQVQY-UHFFFAOYSA-N -1 0 334.784 3.879 20 0 EHADRM Cc1cc(C)c(Nc2ccc3ncsc3c2)c(S(=O)(=O)[O-])c1 ZINC001174365999 1132337593 /nfs/dbraw/zinc/33/75/93/1132337593.db2.gz HCCXYDCUCBTDIR-UHFFFAOYSA-N -1 0 334.422 3.903 20 0 EHADRM Cc1cc(C)c(Nc2cnn(CCC(C)C)c2)c(S(=O)(=O)[O-])c1 ZINC001174415161 1132367871 /nfs/dbraw/zinc/36/78/71/1132367871.db2.gz QGAJJTVQLYOFFZ-UHFFFAOYSA-N -1 0 337.445 3.536 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2c(F)c(F)nc(F)c2Cl)c1 ZINC001174494405 1132371009 /nfs/dbraw/zinc/37/10/09/1132371009.db2.gz DUQBGYPAIWAMJU-SNAWJCMRSA-N -1 0 328.677 3.994 20 0 EHADRM COc1nc(Br)ccc1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174494762 1132371261 /nfs/dbraw/zinc/37/12/61/1132371261.db2.gz GFHWAWNMIFXSIH-VMPITWQZSA-N -1 0 349.184 3.694 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2ccc(F)cc2N2CCOCC2)c1 ZINC001174497187 1132373592 /nfs/dbraw/zinc/37/35/92/1132373592.db2.gz JNMSWGMLGSAADR-QPJJXVBHSA-N -1 0 342.370 3.504 20 0 EHADRM COC(=O)CCc1ccc(Nc2cccc(/C=C/C(=O)[O-])c2)cc1 ZINC001174499691 1132375345 /nfs/dbraw/zinc/37/53/45/1132375345.db2.gz KJTGRJROSKFKKC-YRNVUSSQSA-N -1 0 325.364 3.634 20 0 EHADRM COc1ccc(Cl)cc1CNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000746130527 1132380345 /nfs/dbraw/zinc/38/03/45/1132380345.db2.gz UGBPOIHPAZCSKS-UHFFFAOYSA-N -1 0 348.811 3.709 20 0 EHADRM CC[C@H](Cc1ccccc1)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000746210616 1132392787 /nfs/dbraw/zinc/39/27/87/1132392787.db2.gz QIUJMCHUBQCNBZ-CQSZACIVSA-N -1 0 326.421 3.868 20 0 EHADRM CCc1ccc(CCNC(=O)c2ccc3[n-]c(=S)oc3c2)cc1 ZINC000746281223 1132398306 /nfs/dbraw/zinc/39/83/06/1132398306.db2.gz DTSWPTPOGSFRFI-UHFFFAOYSA-N -1 0 326.421 3.651 20 0 EHADRM COc1ccc(Cn2cc([N-]c3noc(C(C)(C)C)n3)c(C)n2)cc1 ZINC001174576746 1132404964 /nfs/dbraw/zinc/40/49/64/1132404964.db2.gz LCARPVJBINKJMV-UHFFFAOYSA-N -1 0 341.415 3.673 20 0 EHADRM COc1cc(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)ccc1O ZINC001174544175 1132411584 /nfs/dbraw/zinc/41/15/84/1132411584.db2.gz IBKGLQBVOCXWCT-UHFFFAOYSA-N -1 0 345.376 3.544 20 0 EHADRM COc1cc(Nc2ccsc2Br)ccc1C(=O)[O-] ZINC001174683480 1132435673 /nfs/dbraw/zinc/43/56/73/1132435673.db2.gz MZZZENNWIZHYBH-UHFFFAOYSA-N -1 0 328.187 3.961 20 0 EHADRM COc1cc(Nc2ncccc2N2CCCCC2)ccc1C(=O)[O-] ZINC001174683526 1132435705 /nfs/dbraw/zinc/43/57/05/1132435705.db2.gz OFUWZUPTFIIHOB-UHFFFAOYSA-N -1 0 327.384 3.522 20 0 EHADRM COC(=O)c1cc(Nc2ccc(C(=O)[O-])c(OC)c2)ccc1Cl ZINC001174687265 1132436530 /nfs/dbraw/zinc/43/65/30/1132436530.db2.gz QOOSOFZFBJWFHJ-UHFFFAOYSA-N -1 0 335.743 3.577 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(Br)cc(F)c2O)s1 ZINC001174806826 1132478375 /nfs/dbraw/zinc/47/83/75/1132478375.db2.gz FMZILKWZUOEMMN-UHFFFAOYSA-N -1 0 332.150 3.797 20 0 EHADRM Cc1cc(Nc2ccc(C(=O)[O-])s2)n(Cc2ccccc2F)n1 ZINC001174807022 1132478393 /nfs/dbraw/zinc/47/83/93/1132478393.db2.gz GIJCHUDKWMELKG-UHFFFAOYSA-N -1 0 331.372 3.882 20 0 EHADRM Cc1cc(N)c(Nc2ccc(C(=O)[O-])s2)c(Br)c1 ZINC001174809755 1132480019 /nfs/dbraw/zinc/48/00/19/1132480019.db2.gz RHTOOWBBSAQPSL-UHFFFAOYSA-N -1 0 327.203 3.843 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2cccc3ncccc32)c(Cl)c1 ZINC001174908823 1132501335 /nfs/dbraw/zinc/50/13/35/1132501335.db2.gz RELXMUSOZNDJOI-UHFFFAOYSA-N -1 0 334.784 3.879 20 0 EHADRM Nc1cc2c(ccn2-c2ccc(CC(=O)[O-])cc2)cc1Br ZINC001174953346 1132516567 /nfs/dbraw/zinc/51/65/67/1132516567.db2.gz RGOMVPDNCGJVQO-UHFFFAOYSA-N -1 0 345.196 3.602 20 0 EHADRM O=C([O-])Cc1ccc(Nc2ccc(F)c(Br)c2O)cc1 ZINC001174954214 1132517849 /nfs/dbraw/zinc/51/78/49/1132517849.db2.gz GFLZUZCMDLTXIQ-UHFFFAOYSA-N -1 0 340.148 3.665 20 0 EHADRM CC(C)Oc1ccccc1C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000737644496 1132520290 /nfs/dbraw/zinc/52/02/90/1132520290.db2.gz WKMFMFBUGUHZER-XFXZXTDPSA-N -1 0 325.364 3.824 20 0 EHADRM Cc1ccccc1OCCCC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000392728465 1132520735 /nfs/dbraw/zinc/52/07/35/1132520735.db2.gz RIFQLHCHEGWNRW-INIZCTEOSA-N -1 0 347.455 3.503 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)CCC2CCCCC2)c(C)s1 ZINC000746425007 1132522088 /nfs/dbraw/zinc/52/20/88/1132522088.db2.gz FOQNSEVJINKNBD-UHFFFAOYSA-N -1 0 329.487 3.530 20 0 EHADRM CCOC(=O)c1cnc(Nc2cc(C(=O)[O-])ccc2C)c(Cl)c1 ZINC001174982016 1132534369 /nfs/dbraw/zinc/53/43/69/1132534369.db2.gz UXPCZWZJWQQFIN-UHFFFAOYSA-N -1 0 334.759 3.662 20 0 EHADRM CCOc1ccc(Nc2c(C)cc(C)cc2S(=O)(=O)[O-])cc1F ZINC001175068056 1132540759 /nfs/dbraw/zinc/54/07/59/1132540759.db2.gz BUWDAYZDAHMWHN-UHFFFAOYSA-N -1 0 339.388 3.832 20 0 EHADRM CCOc1ccc(F)cc1Nc1ccc(S(=O)(=O)[O-])cc1Cl ZINC001175083730 1132562659 /nfs/dbraw/zinc/56/26/59/1132562659.db2.gz XNMWFGWSVHZFAU-UHFFFAOYSA-N -1 0 345.779 3.868 20 0 EHADRM O=C(Cc1coc(-c2ccc(Cl)cc2)n1)[N-]Oc1ccccc1 ZINC000773465553 1132567001 /nfs/dbraw/zinc/56/70/01/1132567001.db2.gz GFTOTQSDFFNUDY-UHFFFAOYSA-N -1 0 328.755 3.648 20 0 EHADRM C[C@@H]1CCc2c(sc(Nc3ccc(C(=O)[O-])c(F)c3)c2C(N)=O)C1 ZINC001175154323 1132568894 /nfs/dbraw/zinc/56/88/94/1132568894.db2.gz JQBXAFHKXNPIBH-MRVPVSSYSA-N -1 0 348.399 3.553 20 0 EHADRM COc1cc(Nc2ccc(C(=O)[O-])c(F)c2)c(OC)cc1Cl ZINC001175157231 1132569669 /nfs/dbraw/zinc/56/96/69/1132569669.db2.gz OHJVPPVGCYOXRX-UHFFFAOYSA-N -1 0 325.723 3.938 20 0 EHADRM CCOC(=O)c1nc(C2CC2)oc1[N-]c1c(F)ccc(OC)c1F ZINC001175121501 1132572558 /nfs/dbraw/zinc/57/25/58/1132572558.db2.gz WNFMTVQCHAJMMG-UHFFFAOYSA-N -1 0 338.310 3.759 20 0 EHADRM COC(=O)c1c(F)ccc(Nc2ccc(C(=O)[O-])c(F)c2)c1Cl ZINC001175161452 1132576855 /nfs/dbraw/zinc/57/68/55/1132576855.db2.gz VLKCSZVLIOVOOD-UHFFFAOYSA-N -1 0 341.697 3.847 20 0 EHADRM COC(=O)c1c(Nc2ccc(F)c(C(=O)[O-])c2)sc2c1CCC2 ZINC001175214926 1132597114 /nfs/dbraw/zinc/59/71/14/1132597114.db2.gz BAZJEGLAGFOLOC-UHFFFAOYSA-N -1 0 335.356 3.604 20 0 EHADRM COc1cccc(-n2ncc(C)c2Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC001175219956 1132598862 /nfs/dbraw/zinc/59/88/62/1132598862.db2.gz GXVDQARLQXGJOR-UHFFFAOYSA-N -1 0 341.342 3.770 20 0 EHADRM Cc1cc(Nc2ccc(F)c(C(=O)[O-])c2)n(Cc2ccc(F)cc2)n1 ZINC001175221233 1132598984 /nfs/dbraw/zinc/59/89/84/1132598984.db2.gz WLQSCSSOYPSPOW-UHFFFAOYSA-N -1 0 343.333 3.960 20 0 EHADRM CCOC(=O)c1cc(F)c(F)cc1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175221161 1132599110 /nfs/dbraw/zinc/59/91/10/1132599110.db2.gz JRGTZZBUDTUCHK-UHFFFAOYSA-N -1 0 339.269 3.722 20 0 EHADRM Nc1ccc(Br)c(F)c1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175222532 1132599509 /nfs/dbraw/zinc/59/95/09/1132599509.db2.gz UTCODQVYHJJSFK-UHFFFAOYSA-N -1 0 343.127 3.751 20 0 EHADRM Cc1cc(C(=O)N(C)C)ccc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175320076 1132638419 /nfs/dbraw/zinc/63/84/19/1132638419.db2.gz NHRXSSKPCKXSSC-UHFFFAOYSA-N -1 0 332.787 3.792 20 0 EHADRM CC(C)(C)OC(=O)NCc1cncc(Nc2cccc(C(=O)[O-])c2)c1 ZINC001175329489 1132640478 /nfs/dbraw/zinc/64/04/78/1132640478.db2.gz YTEPXKWJHMTKLT-UHFFFAOYSA-N -1 0 343.383 3.548 20 0 EHADRM O=C([O-])c1cccc(Nc2cn3c(cccc3Br)n2)c1 ZINC001175331470 1132641104 /nfs/dbraw/zinc/64/11/04/1132641104.db2.gz YNZKBKSLKDHWHE-UHFFFAOYSA-N -1 0 332.157 3.539 20 0 EHADRM CCOC(=O)c1cnc2cccc(Nc3cccc(C(=O)[O-])c3)c2c1 ZINC001175335224 1132641697 /nfs/dbraw/zinc/64/16/97/1132641697.db2.gz XVOZMGMVSMFQDF-UHFFFAOYSA-N -1 0 336.347 3.853 20 0 EHADRM O=S(=O)([O-])c1ccc(Cl)c(Nc2ccc(-n3cccn3)cc2)c1 ZINC001175373882 1132653456 /nfs/dbraw/zinc/65/34/56/1132653456.db2.gz AOZZVJHDXMPBPK-UHFFFAOYSA-N -1 0 349.799 3.516 20 0 EHADRM Cc1cc(C)c(Nc2ccc3ncccc3c2)c(S(=O)(=O)[O-])c1 ZINC001175378935 1132655219 /nfs/dbraw/zinc/65/52/19/1132655219.db2.gz JFTRKVHMJXXNLC-UHFFFAOYSA-N -1 0 328.393 3.842 20 0 EHADRM O=C(CCc1ccc(F)nc1)Nc1ccc2[n-]c(=S)sc2c1 ZINC001175381744 1132655451 /nfs/dbraw/zinc/65/54/51/1132655451.db2.gz OPQOVGXMRUKUCN-UHFFFAOYSA-N -1 0 333.413 3.690 20 0 EHADRM COc1cc(Nc2ccc3ccccc3c2S(=O)(=O)[O-])ccc1F ZINC001175399533 1132660242 /nfs/dbraw/zinc/66/02/42/1132660242.db2.gz JYCUXKGVSXVHAD-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM Cc1cc(CNc2ccccc2/C=C/C(=O)[O-])ncc1Br ZINC001169200557 1132690315 /nfs/dbraw/zinc/69/03/15/1132690315.db2.gz XFFQJQLEWLSURP-VOTSOKGWSA-N -1 0 347.212 3.862 20 0 EHADRM Cc1ccc2sc(CNC(=O)c3ccc([O-])c(Cl)c3)nc2c1 ZINC001169478113 1132763599 /nfs/dbraw/zinc/76/35/99/1132763599.db2.gz ARHSYUKAUPPZAX-UHFFFAOYSA-N -1 0 332.812 3.894 20 0 EHADRM O=C([O-])c1cncc(Nc2ccnn2-c2cccc(C(F)(F)F)c2)c1 ZINC001175841207 1132772791 /nfs/dbraw/zinc/77/27/91/1132772791.db2.gz UEAFGTTWHOMEMH-UHFFFAOYSA-N -1 0 348.284 3.728 20 0 EHADRM O=C([O-])c1cncc(Nc2cc3ccccc3c(Br)n2)c1 ZINC001175840292 1132773021 /nfs/dbraw/zinc/77/30/21/1132773021.db2.gz JSEVMGLRIQONCG-UHFFFAOYSA-N -1 0 344.168 3.834 20 0 EHADRM O=C([O-])c1cncc(Nc2c(Br)cc(F)c(F)c2F)c1 ZINC001175841563 1132773051 /nfs/dbraw/zinc/77/30/51/1132773051.db2.gz LVYUNKYKXHWOIU-UHFFFAOYSA-N -1 0 347.090 3.703 20 0 EHADRM COC(=O)c1cc2cc(Nc3cncc(C(=O)[O-])c3)ccc2s1 ZINC001175843973 1132773820 /nfs/dbraw/zinc/77/38/20/1132773820.db2.gz XOCABMUKPIKTFW-UHFFFAOYSA-N -1 0 328.349 3.525 20 0 EHADRM COc1cncc(CCC(=O)Nc2ccc3[n-]c(=S)sc3c2)c1 ZINC001175817230 1132776772 /nfs/dbraw/zinc/77/67/72/1132776772.db2.gz WTAQVNPDWCPKIR-UHFFFAOYSA-N -1 0 345.449 3.560 20 0 EHADRM Cc1nc(CC(=O)Nc2cc(Cl)c(C)c(Cl)c2[O-])cs1 ZINC001176130225 1132855475 /nfs/dbraw/zinc/85/54/75/1132855475.db2.gz LGTKNDOPYNOFII-UHFFFAOYSA-N -1 0 331.224 3.954 20 0 EHADRM Cc1noc(C)c1[N-]c1cc(-c2cccc(Br)n2)no1 ZINC001176178725 1132857476 /nfs/dbraw/zinc/85/74/76/1132857476.db2.gz WTSFLOQDTMTUNA-UHFFFAOYSA-N -1 0 335.161 3.848 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)CCCc1ccc(Cl)cc1 ZINC000766840269 1132866163 /nfs/dbraw/zinc/86/61/63/1132866163.db2.gz FXYVOCMGZVBDGS-UHFFFAOYSA-N -1 0 343.810 3.950 20 0 EHADRM COCCCOc1ccc(Nc2csc(C(=O)[O-])c2)cc1F ZINC001176439075 1132928975 /nfs/dbraw/zinc/92/89/75/1132928975.db2.gz IXSWDDAJMYQKMT-UHFFFAOYSA-N -1 0 325.361 3.744 20 0 EHADRM O=C([O-])Cn1ccc2cc(NC(=O)/C=C/c3cccc(F)c3)ccc21 ZINC000767138824 1132955851 /nfs/dbraw/zinc/95/58/51/1132955851.db2.gz YEPBNTXMZLLXCP-QPJJXVBHSA-N -1 0 338.338 3.517 20 0 EHADRM CC(=O)c1oc2cccnc2c1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176585119 1132960733 /nfs/dbraw/zinc/96/07/33/1132960733.db2.gz ZWSZWMDXMNOZJI-UHFFFAOYSA-N -1 0 336.347 3.890 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3cccnc3OC(F)(F)F)cc2)CC1 ZINC001176586481 1132960932 /nfs/dbraw/zinc/96/09/32/1132960932.db2.gz IYSRPBZRRHSOLL-UHFFFAOYSA-N -1 0 338.285 3.840 20 0 EHADRM Cc1cc(Br)cnc1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176587784 1132961522 /nfs/dbraw/zinc/96/15/22/1132961522.db2.gz BTURAXWSDUDFJO-QPJJXVBHSA-N -1 0 333.185 3.994 20 0 EHADRM COC(=O)c1ccc(C)cc1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176590743 1132962335 /nfs/dbraw/zinc/96/23/35/1132962335.db2.gz VOXLFSASXGIBSR-UHFFFAOYSA-N -1 0 325.364 3.641 20 0 EHADRM Cc1cc(C)c(S(C)(=O)=O)cc1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176594924 1132963430 /nfs/dbraw/zinc/96/34/30/1132963430.db2.gz AFLXALLSNRQJMK-RMKNXTFCSA-N -1 0 345.420 3.548 20 0 EHADRM COc1cc(Br)nc(Nc2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC001176594715 1132963727 /nfs/dbraw/zinc/96/37/27/1132963727.db2.gz YHVKJWWPDKILML-QPJJXVBHSA-N -1 0 349.184 3.694 20 0 EHADRM COC(=O)c1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)c(Cl)c1 ZINC001176597948 1132976525 /nfs/dbraw/zinc/97/65/25/1132976525.db2.gz ZKWZBOFWCHJWGQ-RUDMXATFSA-N -1 0 331.755 3.968 20 0 EHADRM Nc1c(-c2cccc(Cl)c2)cnn1-c1c(F)cc(F)c([O-])c1F ZINC001176663063 1132987178 /nfs/dbraw/zinc/98/71/78/1132987178.db2.gz BAGTYTAPMZRKJW-UHFFFAOYSA-N -1 0 339.704 3.898 20 0 EHADRM Nc1c(F)cccc1N(c1ccc(C(=O)[O-])cc1)[C@H]1CC[C@H](O)CC1 ZINC001176713581 1132995222 /nfs/dbraw/zinc/99/52/22/1132995222.db2.gz LBFYVVMGPJKQJC-SHTZXODSSA-N -1 0 344.386 3.548 20 0 EHADRM COC(=O)c1c(Cl)cc(Cl)nc1Nc1ccc(C(=O)[O-])cc1 ZINC001176712032 1132995378 /nfs/dbraw/zinc/99/53/78/1132995378.db2.gz WDHAHWUAJQYCDR-UHFFFAOYSA-N -1 0 341.150 3.617 20 0 EHADRM O=C(Cc1cc(Cl)ccn1)Nc1ccc2[n-]c(=S)sc2c1 ZINC001177657039 1133092407 /nfs/dbraw/zinc/09/24/07/1133092407.db2.gz BCNTYOMJWGFZLV-UHFFFAOYSA-N -1 0 335.841 3.815 20 0 EHADRM CCCCC[C@H]1CCCN1C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000768343486 1133131356 /nfs/dbraw/zinc/13/13/56/1133131356.db2.gz FMULTPUUSHQGAO-ZDUSSCGKSA-N -1 0 345.468 3.809 20 0 EHADRM C[C@]1(Cc2ccccc2)SCCN1C(=O)c1c([O-])cccc1F ZINC001178170552 1133144437 /nfs/dbraw/zinc/14/44/37/1133144437.db2.gz UPRFPCWVAIFVSA-GOSISDBHSA-N -1 0 331.412 3.679 20 0 EHADRM C/C=C(C)/C=C/C(=O)Nc1cc(OC)cc(Br)c1O ZINC001178513193 1133175334 /nfs/dbraw/zinc/17/53/34/1133175334.db2.gz ZDJBZLQRCBAXQD-BZNITXMSSA-N -1 0 326.190 3.624 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)C=Cc2cccc(Cl)c2)c2n[nH]cc21 ZINC000768882426 1133196215 /nfs/dbraw/zinc/19/62/15/1133196215.db2.gz GWKZWTLCTGUDKU-BQYQJAHWSA-N -1 0 347.827 3.937 20 0 EHADRM Cc1oc(CNC(=O)C(C)(C)c2ccccc2Cl)cc1C(=O)[O-] ZINC000262134197 1133224199 /nfs/dbraw/zinc/22/41/99/1133224199.db2.gz RBFPIIOCTGEVPB-UHFFFAOYSA-N -1 0 335.787 3.534 20 0 EHADRM Cc1cc(/C=C\C(=O)N2CCC[C@@H]2C(=O)[O-])c(C)n1C1CCCCC1 ZINC000769513906 1133306069 /nfs/dbraw/zinc/30/60/69/1133306069.db2.gz GENCLJMFZOZAPL-RXQFDZFGSA-N -1 0 344.455 3.699 20 0 EHADRM O=S(=O)(c1ccccc1Cl)C1=C([O-])c2ccccc2CCC1 ZINC000769533675 1133310580 /nfs/dbraw/zinc/31/05/80/1133310580.db2.gz JQSNMWOYAUZPSE-INIZCTEOSA-N -1 0 334.824 3.702 20 0 EHADRM C[C@@H]1CN(C(=O)c2cccc(Br)c2[O-])Cc2ccccc21 ZINC000769616708 1133322317 /nfs/dbraw/zinc/32/23/17/1133322317.db2.gz WNJIAZWIKQKGBW-LLVKDONJSA-N -1 0 346.224 3.914 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CC[C@H](c2c(F)cccc2F)C1 ZINC000769648315 1133325140 /nfs/dbraw/zinc/32/51/40/1133325140.db2.gz PRBHMNCBPIICLZ-JTQLQIEISA-N -1 0 337.753 3.954 20 0 EHADRM COc1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)c1F ZINC000769891641 1133364172 /nfs/dbraw/zinc/36/41/72/1133364172.db2.gz SIWLONGQKQNUJG-UHFFFAOYSA-N -1 0 343.445 3.994 20 0 EHADRM CCCc1nc2ccc(NC(=O)C3(C(=O)[O-])CCCCC3)cc2o1 ZINC001180436732 1133369411 /nfs/dbraw/zinc/36/94/11/1133369411.db2.gz SJGWAJSUPREPKK-UHFFFAOYSA-N -1 0 330.384 3.754 20 0 EHADRM C[C@@H](CNC(=O)c1ccc2[n-]c(=S)oc2c1)c1ccc(F)cc1F ZINC000746328697 1133509207 /nfs/dbraw/zinc/50/92/07/1133509207.db2.gz XDTBDUIBXOULDO-VIFPVBQESA-N -1 0 348.374 3.928 20 0 EHADRM [O-]c1c(Cl)cccc1-c1nc([C@@H]2COc3ccccc3O2)no1 ZINC000771222633 1133529472 /nfs/dbraw/zinc/52/94/72/1133529472.db2.gz JPEIREOGEYUAEC-ZDUSSCGKSA-N -1 0 330.727 3.608 20 0 EHADRM CCN1CCCC[C@H]1C(=O)Nc1cc(Cl)c(C)c(Cl)c1[O-] ZINC001181997174 1133559761 /nfs/dbraw/zinc/55/97/61/1133559761.db2.gz GDKWURIJBFGDLZ-LBPRGKRZSA-N -1 0 331.243 3.820 20 0 EHADRM O=C([O-])c1cccc(/C=C2\C(=O)Nc3cc(Br)ccc32)c1 ZINC000774135835 1133621537 /nfs/dbraw/zinc/62/15/37/1133621537.db2.gz SWOXWWWIYGCUOP-QPEQYQDCSA-N -1 0 344.164 3.640 20 0 EHADRM CC(C)(CNC(=O)c1n[n-]c2ccccc2c1=O)C1=CCCCC1 ZINC000772315617 1133672103 /nfs/dbraw/zinc/67/21/03/1133672103.db2.gz AHAXFJSKEKZELM-UHFFFAOYSA-N -1 0 325.412 3.592 20 0 EHADRM O=C(Cc1ccc([S-])cc1)Nc1nc(Cl)c(Cl)nc1Cl ZINC001183186495 1133776677 /nfs/dbraw/zinc/77/66/77/1133776677.db2.gz UNIZZZCLCMDEKG-UHFFFAOYSA-N -1 0 348.642 3.907 20 0 EHADRM CCCC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000786365072 1133841557 /nfs/dbraw/zinc/84/15/57/1133841557.db2.gz WICWQLOACXKWSP-UHFFFAOYSA-N -1 0 335.828 3.500 20 0 EHADRM O=C(Cc1ccc(Cl)cn1)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000786507099 1133866480 /nfs/dbraw/zinc/86/64/80/1133866480.db2.gz SJUDARVUJXSTRX-UHFFFAOYSA-N -1 0 331.586 3.929 20 0 EHADRM O=C(C=C([O-])c1ccc(Cl)cc1)CCC(=O)Nc1ccccc1O ZINC001184117655 1133899760 /nfs/dbraw/zinc/89/97/60/1133899760.db2.gz UTFTYAALEJXGRS-UHFFFAOYSA-N -1 0 345.782 3.606 20 0 EHADRM Cc1ccc(C)c(C(=O)Nc2ccc(F)c(Br)c2[O-])n1 ZINC001184608024 1133965587 /nfs/dbraw/zinc/96/55/87/1133965587.db2.gz KSJFEVRGSNPJIC-UHFFFAOYSA-N -1 0 339.164 3.558 20 0 EHADRM O=S(=O)([N-]c1cncc(-c2ccccc2)c1)c1cccnc1Cl ZINC001184835861 1133995357 /nfs/dbraw/zinc/99/53/57/1133995357.db2.gz GEJGXOZGPOHBHB-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM O=S(=O)([N-]c1ccnc(-c2ccccc2)c1)c1cccnc1Cl ZINC001184835042 1133995407 /nfs/dbraw/zinc/99/54/07/1133995407.db2.gz PYYXTSTZXNNAMF-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM O=S(=O)([N-]c1cccc(-c2ccccc2)n1)c1cccnc1Cl ZINC001184836500 1133995669 /nfs/dbraw/zinc/99/56/69/1133995669.db2.gz XIFACZLFITYWRA-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)ncc1C(F)(F)F)c1ccsc1 ZINC001185341791 1134075288 /nfs/dbraw/zinc/07/52/88/1134075288.db2.gz HRACSDTUGYTQOU-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM COc1ccccc1CCN(C)C(=O)C=C([O-])c1ccccc1Cl ZINC001185429816 1134084279 /nfs/dbraw/zinc/08/42/79/1134084279.db2.gz WVPHLGPZXYZRBN-UHFFFAOYSA-N -1 0 345.826 3.623 20 0 EHADRM CC(C)CC1(NC(=O)C=C([O-])c2ccccc2Cl)CCOCC1 ZINC001185443700 1134086701 /nfs/dbraw/zinc/08/67/01/1134086701.db2.gz CGSABCPOHCXNQX-UHFFFAOYSA-N -1 0 337.847 3.624 20 0 EHADRM O=C(C=C([O-])c1ccccc1Cl)NC1CC2(C1)CC(F)(F)C2 ZINC001185444308 1134087131 /nfs/dbraw/zinc/08/71/31/1134087131.db2.gz RQDSAFBXQWCTSK-UHFFFAOYSA-N -1 0 327.758 3.607 20 0 EHADRM COc1cc(Cl)cnc1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1 ZINC001185496242 1134098607 /nfs/dbraw/zinc/09/86/07/1134098607.db2.gz IRECLKNXIKAHOR-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM O=S(=O)([N-]c1ccccc1-c1ccco1)c1ccc(Cl)nc1 ZINC001185687658 1134120040 /nfs/dbraw/zinc/12/00/40/1134120040.db2.gz KVKUFINCHSIOMG-UHFFFAOYSA-N -1 0 334.784 3.796 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc2cncc(F)c21 ZINC001185835989 1134139244 /nfs/dbraw/zinc/13/92/44/1134139244.db2.gz BAHVIDLVGNCCRH-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM O=C(c1cccc([S-])c1)N(Cc1ccccc1)C1CCOCC1 ZINC001186148260 1134174798 /nfs/dbraw/zinc/17/47/98/1134174798.db2.gz BMEWZZCMBNGQJD-UHFFFAOYSA-N -1 0 327.449 3.797 20 0 EHADRM O=S(=O)([N-]c1cc2ccccc2s1)c1ccc2nsnc2c1 ZINC001186226580 1134182822 /nfs/dbraw/zinc/18/28/22/1134182822.db2.gz UDYIKLKMAFMSEQ-UHFFFAOYSA-N -1 0 347.446 3.707 20 0 EHADRM Cn1cc2cccc([N-]S(=O)(=O)c3csc4ccccc43)c2n1 ZINC001186495258 1134221534 /nfs/dbraw/zinc/22/15/34/1134221534.db2.gz FISYORCQAGUPBS-UHFFFAOYSA-N -1 0 343.433 3.589 20 0 EHADRM Cc1ccc2cccnc2c1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC001186780771 1134257347 /nfs/dbraw/zinc/25/73/47/1134257347.db2.gz XWSIJVYDFPBXFQ-UHFFFAOYSA-N -1 0 332.281 3.918 20 0 EHADRM Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccco3)cc2C)cn1 ZINC001186859100 1134269498 /nfs/dbraw/zinc/26/94/98/1134269498.db2.gz NFZIZPLQGISUIQ-UHFFFAOYSA-N -1 0 344.392 3.885 20 0 EHADRM CC(=O)c1ccc2nc([N-]S(=O)(=O)c3ccccc3C)sc2c1 ZINC000775089887 1134304625 /nfs/dbraw/zinc/30/46/25/1134304625.db2.gz OXKDHQQLICHNDV-UHFFFAOYSA-N -1 0 346.433 3.608 20 0 EHADRM CCOCCS(=O)(=O)[N-]c1ccccc1Oc1ccccc1C ZINC001187278902 1134319331 /nfs/dbraw/zinc/31/93/31/1134319331.db2.gz ASBWTZZTGOIDKD-UHFFFAOYSA-N -1 0 335.425 3.566 20 0 EHADRM Cc1oncc1S(=O)(=O)[N-]c1ccc(-c2ccc(F)cc2)cc1 ZINC001187321724 1134323043 /nfs/dbraw/zinc/32/30/43/1134323043.db2.gz QZDWDVRUPLPDAV-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]c2cncc(Cl)n2)c1 ZINC000789740654 1134331088 /nfs/dbraw/zinc/33/10/88/1134331088.db2.gz RDBOPAOSDCTFAI-UHFFFAOYSA-N -1 0 346.239 3.708 20 0 EHADRM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1Cl)c1nccs1 ZINC001187847324 1134389731 /nfs/dbraw/zinc/38/97/31/1134389731.db2.gz GBNZPSCMNDAIHS-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM COc1ccc(-c2ccccc2[N-]S(=O)(=O)c2ccoc2)cc1 ZINC001188610230 1134482194 /nfs/dbraw/zinc/48/21/94/1134482194.db2.gz NGYNTWYTHNFMDB-UHFFFAOYSA-N -1 0 329.377 3.756 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)ccc1OC(F)(F)F)c1ccoc1 ZINC001188610210 1134482473 /nfs/dbraw/zinc/48/24/73/1134482473.db2.gz LZUDWFBEEMJWNE-UHFFFAOYSA-N -1 0 341.694 3.632 20 0 EHADRM O=C(OCc1ncc(-c2ccc(F)cc2)o1)c1c(F)cc([O-])cc1F ZINC000746984639 1134516783 /nfs/dbraw/zinc/51/67/83/1134516783.db2.gz GLWLAAUHDKIXNY-UHFFFAOYSA-N -1 0 349.264 3.822 20 0 EHADRM O=C(Nc1cc(Cl)cc(Br)c1[O-])c1cccnc1F ZINC000791222062 1134518549 /nfs/dbraw/zinc/51/85/49/1134518549.db2.gz MANOVCFPWWFKRF-UHFFFAOYSA-N -1 0 345.555 3.595 20 0 EHADRM Cc1ccc(/C=C\S(=O)(=O)[N-][C@@](C)(C2CC2)C(F)(F)F)cc1 ZINC000775208848 1134519706 /nfs/dbraw/zinc/51/97/06/1134519706.db2.gz DZIPSIUVPLKRSH-CMUBDUJZSA-N -1 0 333.375 3.616 20 0 EHADRM O=C([O-])c1cnc(-c2ccccc2)nc1/C=C\c1cnc2ccccn12 ZINC000791432227 1134549367 /nfs/dbraw/zinc/54/93/67/1134549367.db2.gz MOKHPVIVJWSACA-KTKRTIGZSA-N -1 0 342.358 3.660 20 0 EHADRM Cc1cc(F)cc(C)c1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001189298578 1134563641 /nfs/dbraw/zinc/56/36/41/1134563641.db2.gz RLCBXFKYOQZTFY-UHFFFAOYSA-N -1 0 325.343 3.586 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)cn1 ZINC001189354914 1134580183 /nfs/dbraw/zinc/58/01/83/1134580183.db2.gz BJCSDBHQUWOHRI-UHFFFAOYSA-N -1 0 346.383 3.573 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)cnc1F ZINC001189357156 1134580415 /nfs/dbraw/zinc/58/04/15/1134580415.db2.gz UKJGNDRUABBPKP-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM O=C(Nc1c(Cl)ccc([O-])c1Cl)c1cc(C(F)(F)F)[nH]n1 ZINC001189528336 1134599083 /nfs/dbraw/zinc/59/90/83/1134599083.db2.gz BIOFDRWJGNPNQX-UHFFFAOYSA-N -1 0 340.088 3.693 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@H](C(C)C)CC2)sc1C ZINC000775289836 1134613703 /nfs/dbraw/zinc/61/37/03/1134613703.db2.gz AQGHZUSDSVVXAM-HDJSIYSDSA-N -1 0 343.514 3.632 20 0 EHADRM O=C(NC1(c2cccnc2)CC1)c1cc(Br)ccc1[S-] ZINC001189970210 1134638415 /nfs/dbraw/zinc/63/84/15/1134638415.db2.gz VNMQERGIXFRWKX-UHFFFAOYSA-N -1 0 349.253 3.552 20 0 EHADRM COc1cccc([N-]S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)c1 ZINC001189948950 1134640730 /nfs/dbraw/zinc/64/07/30/1134640730.db2.gz UTBALOSOUBPVBP-UHFFFAOYSA-N -1 0 349.305 3.654 20 0 EHADRM Cc1ccc2ccccc2c1[N-]S(=O)(=O)c1ncc(F)cc1F ZINC001190133976 1134659584 /nfs/dbraw/zinc/65/95/84/1134659584.db2.gz NLAHFNJXOOWMNC-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)n1 ZINC001190295362 1134681767 /nfs/dbraw/zinc/68/17/67/1134681767.db2.gz CGMMUXBBKMYBGB-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM O=C(Nc1nnc(-c2ccco2)o1)c1csc(-c2cccs2)n1 ZINC001190565189 1134718532 /nfs/dbraw/zinc/71/85/32/1134718532.db2.gz ATMQOFSVIDKRBT-UHFFFAOYSA-N -1 0 344.377 3.767 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cnccc2C2CC2)c1 ZINC001191153787 1134803445 /nfs/dbraw/zinc/80/34/45/1134803445.db2.gz MKKFOWGRTVJFGL-UHFFFAOYSA-N -1 0 339.420 3.616 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)nn2C)cc1 ZINC001191234134 1134832434 /nfs/dbraw/zinc/83/24/34/1134832434.db2.gz ZHLYBQNVRMDTQN-UHFFFAOYSA-N -1 0 349.500 3.861 20 0 EHADRM CCC[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1c(F)cccc1F ZINC001191339517 1134845484 /nfs/dbraw/zinc/84/54/84/1134845484.db2.gz COJXPOBXVIBLTC-OLZOCXBDSA-N -1 0 331.428 3.850 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cc(C(C)C)ccc2OC)c(C)c1 ZINC001191652561 1134900016 /nfs/dbraw/zinc/90/00/16/1134900016.db2.gz SECRARWFAUVCFX-UHFFFAOYSA-N -1 0 349.452 3.936 20 0 EHADRM CCc1cccnc1[N-]S(=O)(=O)c1ccc2cc(OC)ccc2c1 ZINC001191940310 1134944341 /nfs/dbraw/zinc/94/43/41/1134944341.db2.gz LYJXRQVHHLKZPS-UHFFFAOYSA-N -1 0 342.420 3.607 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@H](C)CC(C)C)cc1Cl ZINC000747131679 1134955371 /nfs/dbraw/zinc/95/53/71/1134955371.db2.gz ZGQLILADZSPGBH-LLVKDONJSA-N -1 0 331.865 3.526 20 0 EHADRM CC[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(C)c(Cl)c1)C(C)C ZINC000747130512 1134958858 /nfs/dbraw/zinc/95/88/58/1134958858.db2.gz MULDVPLNOVANGH-LBPRGKRZSA-N -1 0 331.865 3.526 20 0 EHADRM Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cn3)cc2)cc1 ZINC001192065789 1134963452 /nfs/dbraw/zinc/96/34/52/1134963452.db2.gz TZDYGCLRLBNNBJ-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)sc2c1)c1cc(O)cc(F)c1F ZINC001192665001 1135047126 /nfs/dbraw/zinc/04/71/26/1135047126.db2.gz IJGAPAVSZMEWHI-UHFFFAOYSA-N -1 0 338.360 3.821 20 0 EHADRM O=C(N=c1cc[nH]cc1Oc1ccccc1)c1c([O-])ccc(F)c1F ZINC001192730267 1135048577 /nfs/dbraw/zinc/04/85/77/1135048577.db2.gz SDOJDAAHZFUUCI-UHFFFAOYSA-N -1 0 342.301 3.532 20 0 EHADRM O=C(Nc1ccc(Cl)c2nsnc21)c1c(F)ccc(F)c1[O-] ZINC001192716181 1135051147 /nfs/dbraw/zinc/05/11/47/1135051147.db2.gz IYSNWAQNSUWPKR-UHFFFAOYSA-N -1 0 341.726 3.581 20 0 EHADRM COc1ccc(CC2(NC(=O)c3c(F)ccc(F)c3[O-])CCC2)cc1 ZINC001192718287 1135051603 /nfs/dbraw/zinc/05/16/03/1135051603.db2.gz VJHFYULQBQLITP-UHFFFAOYSA-N -1 0 347.361 3.574 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2csc3ncccc23)c1 ZINC001192760886 1135052333 /nfs/dbraw/zinc/05/23/33/1135052333.db2.gz CLCCKWNMIGXLPV-UHFFFAOYSA-N -1 0 348.449 3.668 20 0 EHADRM COc1ccc([C@H](NC(=O)c2c([O-])ccc(F)c2F)C2CC2)cc1 ZINC001192785684 1135054159 /nfs/dbraw/zinc/05/41/59/1135054159.db2.gz IVULJMSVUOAMBV-QGZVFWFLSA-N -1 0 333.334 3.560 20 0 EHADRM O=S(=O)(c1ccccc1Nc1ccc([S-])cc1)N1CCCC1 ZINC001192964751 1135084155 /nfs/dbraw/zinc/08/41/55/1135084155.db2.gz CMGOFYJBPXWEJG-UHFFFAOYSA-N -1 0 334.466 3.503 20 0 EHADRM Cc1cccc(-n2ccnc2SCC(=O)[N-]OC2CCCC2)c1C ZINC000775598458 1135150465 /nfs/dbraw/zinc/15/04/65/1135150465.db2.gz KODPDYBKIMCNKA-UHFFFAOYSA-N -1 0 345.468 3.572 20 0 EHADRM O=C([N-]Cc1cccc(Br)c1Cl)C(F)(F)C(F)F ZINC001129754897 1135151350 /nfs/dbraw/zinc/15/13/50/1135151350.db2.gz IVCCWOZMUGDXBY-UHFFFAOYSA-N -1 0 348.521 3.619 20 0 EHADRM Cn1ccnc1S(=O)(=O)[N-]c1ccccc1-c1ccc(Cl)cc1 ZINC001193599044 1135164684 /nfs/dbraw/zinc/16/46/84/1135164684.db2.gz ZJSZPMCTQBATDI-UHFFFAOYSA-N -1 0 347.827 3.541 20 0 EHADRM O=C(Nc1ccccc1-c1ccncc1)c1ccc(F)c([O-])c1F ZINC001193788900 1135181132 /nfs/dbraw/zinc/18/11/32/1135181132.db2.gz IOQZVKUBKBHUFB-UHFFFAOYSA-N -1 0 326.302 3.985 20 0 EHADRM O=C(NCC1(Cc2ccccc2F)CC1)c1ccc(F)c([O-])c1F ZINC001193801551 1135186761 /nfs/dbraw/zinc/18/67/61/1135186761.db2.gz YRXPLIXKUHMYAR-UHFFFAOYSA-N -1 0 335.325 3.562 20 0 EHADRM CCOc1cncc([N-]S(=O)(=O)c2ccc(C)c3ccccc32)c1 ZINC001193834335 1135191083 /nfs/dbraw/zinc/19/10/83/1135191083.db2.gz OAJMCBJTWCFYCH-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c3ccccc32)c1O ZINC001193858035 1135196906 /nfs/dbraw/zinc/19/69/06/1135196906.db2.gz RVABXFWJYGVBSV-UHFFFAOYSA-N -1 0 327.405 3.963 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2O)c2ccccc12 ZINC001193857640 1135196947 /nfs/dbraw/zinc/19/69/47/1135196947.db2.gz NTSSPAWFBOZTHT-UHFFFAOYSA-N -1 0 331.368 3.794 20 0 EHADRM Cc1noc(C)c1[N-]S(=O)(=O)c1ccc2c(Cl)cccc2c1 ZINC001194216600 1135245581 /nfs/dbraw/zinc/24/55/81/1135245581.db2.gz FXSKCWDKKGZZIO-UHFFFAOYSA-N -1 0 336.800 3.899 20 0 EHADRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)N1Cc2ccccc2[C@@H](C)C1 ZINC001194266965 1135252581 /nfs/dbraw/zinc/25/25/81/1135252581.db2.gz CZPRTZAMGHJUDQ-AWEZNQCLSA-N -1 0 347.418 3.646 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2cc(Cl)c([O-])cc2F)c(F)c1 ZINC000805261479 1135254809 /nfs/dbraw/zinc/25/48/09/1135254809.db2.gz BLOORCOQQOCFDN-UHFFFAOYSA-N -1 0 325.698 3.779 20 0 EHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1cnccc1C(F)(F)F ZINC001194604200 1135291444 /nfs/dbraw/zinc/29/14/44/1135291444.db2.gz BIAITCWTSAKGOP-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM COc1ncccc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1C ZINC001194717703 1135311546 /nfs/dbraw/zinc/31/15/46/1135311546.db2.gz KUFSEPKYTHBWFS-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CC[C@H](C)COC(=O)Nc1cccc2cc(S(=O)(=O)[O-])ccc21 ZINC001194804354 1135323211 /nfs/dbraw/zinc/32/32/11/1135323211.db2.gz HPFGKHODUHCFKB-NSHDSACASA-N -1 0 337.397 3.681 20 0 EHADRM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCCCC(C)(C)C ZINC000805885582 1135351558 /nfs/dbraw/zinc/35/15/58/1135351558.db2.gz ZJKKEGJNTXPYRJ-AWEZNQCLSA-N -1 0 325.474 3.800 20 0 EHADRM CC(C)(C)CCCCC(=O)[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000805927728 1135357197 /nfs/dbraw/zinc/35/71/97/1135357197.db2.gz HKBPRJQPRZYDHZ-UHFFFAOYSA-N -1 0 348.468 3.646 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccccc1-n1ccnc1 ZINC001195268107 1135402466 /nfs/dbraw/zinc/40/24/66/1135402466.db2.gz OYVILNIPRSEQOJ-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM CC(=O)c1cccc(NC(=O)c2c([O-])c(F)c(F)c(F)c2F)c1C ZINC001195302167 1135410089 /nfs/dbraw/zinc/41/00/89/1135410089.db2.gz AATJHNVNBNGPCJ-UHFFFAOYSA-N -1 0 341.260 3.712 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2c(C)cccc2Cl)cc1F ZINC001195317167 1135413616 /nfs/dbraw/zinc/41/36/16/1135413616.db2.gz PGFUHWJYOQUMEA-UHFFFAOYSA-N -1 0 343.807 3.987 20 0 EHADRM O=S(=O)(N[C@@H]1CCC[C@@H](c2ccccc2)CC1)c1ccccc1[O-] ZINC001195398520 1135417929 /nfs/dbraw/zinc/41/79/29/1135417929.db2.gz VGBUVPVAERXQIK-IAGOWNOFSA-N -1 0 345.464 3.787 20 0 EHADRM C[C@H](C(=O)Nc1cc(Cl)c([O-])cc1F)N1CCc2ccccc21 ZINC000805256099 1135419189 /nfs/dbraw/zinc/41/91/89/1135419189.db2.gz ZUOYGIYZIZGWAW-SNVBAGLBSA-N -1 0 334.778 3.574 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2ccc3cc(Cl)ccc3c2)cn1 ZINC001196411609 1135560229 /nfs/dbraw/zinc/56/02/29/1135560229.db2.gz BNJJHFSAYKNXBL-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM O=C(c1cc(Cl)c(F)cc1[O-])N1CC[C@H]1COCc1ccccc1 ZINC001196463737 1135562906 /nfs/dbraw/zinc/56/29/06/1135562906.db2.gz YSTXSXVUSVPGBE-ZDUSSCGKSA-N -1 0 349.789 3.616 20 0 EHADRM CN(CCC(=O)c1cccs1)C(=O)c1cc(Cl)c(F)cc1[O-] ZINC001196467578 1135564008 /nfs/dbraw/zinc/56/40/08/1135564008.db2.gz RQQILJYKRVIFTA-UHFFFAOYSA-N -1 0 341.791 3.591 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCC(COc2ccccc2)CC1 ZINC000775717633 1135565042 /nfs/dbraw/zinc/56/50/42/1135565042.db2.gz QNYXNYRUWFTCIS-UHFFFAOYSA-N -1 0 345.826 3.977 20 0 EHADRM O=C(Nc1c(Cl)cnnc1Cl)c1cc(Cl)c(F)cc1[O-] ZINC001196459222 1135570214 /nfs/dbraw/zinc/57/02/14/1135570214.db2.gz MPNGTCMKPKRJFZ-UHFFFAOYSA-N -1 0 336.537 3.534 20 0 EHADRM O=C(c1cc(Cl)c(F)cc1[O-])N1CC[C@H](c2ccccc2F)C1 ZINC001196463027 1135570720 /nfs/dbraw/zinc/57/07/20/1135570720.db2.gz MUCUQBNFPLUGKV-JTQLQIEISA-N -1 0 337.753 3.954 20 0 EHADRM COc1ccc(F)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c1 ZINC001196719871 1135599424 /nfs/dbraw/zinc/59/94/24/1135599424.db2.gz UTTRJEHHWFKKTN-UHFFFAOYSA-N -1 0 349.305 3.654 20 0 EHADRM COc1ccc(F)c(S(=O)(=O)[N-]c2cc(C)c(Cl)cc2C)c1 ZINC001196761403 1135602660 /nfs/dbraw/zinc/60/26/60/1135602660.db2.gz LUNWWOMJDNUSEP-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM CC(C)c1scnc1[N-]S(=O)(=O)/C=C/c1ccccc1F ZINC000808128602 1135615368 /nfs/dbraw/zinc/61/53/68/1135615368.db2.gz BQVRTMMGTOEDIU-BQYQJAHWSA-N -1 0 326.418 3.818 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2cccc3ccoc32)c(C)c1 ZINC001196888768 1135622120 /nfs/dbraw/zinc/62/21/20/1135622120.db2.gz XUEQISMFFPDJAT-UHFFFAOYSA-N -1 0 331.393 3.859 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N2CC[C@@H](C3CCCCC3)C2)cc1 ZINC001197096888 1135645322 /nfs/dbraw/zinc/64/53/22/1135645322.db2.gz OTKOXSMNYZVLCQ-OAHLLOKOSA-N -1 0 332.469 3.984 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NCc2cc(F)cc(Cl)c2)cc1 ZINC001197076132 1135647318 /nfs/dbraw/zinc/64/73/18/1135647318.db2.gz YKBVKYZBNCGPTC-UHFFFAOYSA-N -1 0 338.791 3.664 20 0 EHADRM CC(C)C[C@@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)c1ccccn1 ZINC001197136380 1135648770 /nfs/dbraw/zinc/64/87/70/1135648770.db2.gz ABKYDFCZMFXTDT-MRXNPFEDSA-N -1 0 343.452 3.854 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N[C@H]2CCCc3c(F)cccc32)cc1 ZINC001197138287 1135648787 /nfs/dbraw/zinc/64/87/87/1135648787.db2.gz JANPPWONEGATHH-INIZCTEOSA-N -1 0 344.411 3.888 20 0 EHADRM Cc1cc([C@@H](C)NC(=S)Nc2ccc(C(=O)[O-])cc2)ccc1F ZINC001197136898 1135648993 /nfs/dbraw/zinc/64/89/93/1135648993.db2.gz KEVBFEQNNFDALW-LLVKDONJSA-N -1 0 332.400 3.880 20 0 EHADRM Cc1cnccc1[C@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)C1CC1 ZINC001197140319 1135649523 /nfs/dbraw/zinc/64/95/23/1135649523.db2.gz RQUAZTWBGGTHAV-MRXNPFEDSA-N -1 0 341.436 3.526 20 0 EHADRM CCn1cc2cc(NC(=S)Nc3ccc(C(=O)[O-])cc3)ccc2n1 ZINC001197112752 1135650799 /nfs/dbraw/zinc/65/07/99/1135650799.db2.gz ISNJUEBEYYIDPD-UHFFFAOYSA-N -1 0 340.408 3.563 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2ccc3[nH]c(=O)sc3c2)cc1 ZINC001197112783 1135650807 /nfs/dbraw/zinc/65/08/07/1135650807.db2.gz JJMJHLQOHULHDH-UHFFFAOYSA-N -1 0 345.405 3.509 20 0 EHADRM CCOc1ccc(C)cc1NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197113837 1135651369 /nfs/dbraw/zinc/65/13/69/1135651369.db2.gz VYCMOYWTJBSMGY-UHFFFAOYSA-N -1 0 330.409 3.901 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2ccc(-c3ncco3)cc2)cc1 ZINC001197119108 1135651582 /nfs/dbraw/zinc/65/15/82/1135651582.db2.gz AQKYLAVZJGFBHT-UHFFFAOYSA-N -1 0 339.376 3.849 20 0 EHADRM C[C@H](OC(=O)c1c(F)cc([O-])cc1F)C(=O)C1(c2ccccc2)CC1 ZINC000808518697 1135685359 /nfs/dbraw/zinc/68/53/59/1135685359.db2.gz GEQOXEFAGMCIDT-NSHDSACASA-N -1 0 346.329 3.517 20 0 EHADRM Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1ncc(C(C)(C)C)s1 ZINC000808538186 1135691598 /nfs/dbraw/zinc/69/15/98/1135691598.db2.gz JGFPGEOWSAOLPY-UHFFFAOYSA-N -1 0 345.877 3.598 20 0 EHADRM Cc1noc([N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)c1C ZINC001197494651 1135699530 /nfs/dbraw/zinc/69/95/30/1135699530.db2.gz GQDLVPGDDPFWAR-UHFFFAOYSA-N -1 0 335.212 3.540 20 0 EHADRM Cc1cccc2ccc(NS(=O)(=O)Cc3c(F)cccc3F)nc12 ZINC001197564304 1135706552 /nfs/dbraw/zinc/70/65/52/1135706552.db2.gz GHIPMUZYGITBRR-UHFFFAOYSA-N -1 0 348.374 3.763 20 0 EHADRM CCCc1cc([N-]S(=O)(=O)Cc2cccc(Cl)c2Cl)on1 ZINC001197717778 1135723120 /nfs/dbraw/zinc/72/31/20/1135723120.db2.gz MMBDNRBAJDHPBT-UHFFFAOYSA-N -1 0 349.239 3.876 20 0 EHADRM O=S(=O)(Cc1ccc(Cl)c(F)c1)[N-]c1cccc2cnoc21 ZINC001197685865 1135726007 /nfs/dbraw/zinc/72/60/07/1135726007.db2.gz XVNWKBDYYPFBIY-UHFFFAOYSA-N -1 0 340.763 3.562 20 0 EHADRM O=C(CC/C=C/c1ccccc1)[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC000121491255 1135754984 /nfs/dbraw/zinc/75/49/84/1135754984.db2.gz KTEICZHNGZXMKL-ARFXTVPASA-N -1 0 341.432 3.597 20 0 EHADRM COCCn1ccc2ccc(NC(=O)c3cccc(Cl)c3[O-])cc21 ZINC000775816127 1135769812 /nfs/dbraw/zinc/76/98/12/1135769812.db2.gz XIZBJAHRUUONIL-UHFFFAOYSA-N -1 0 344.798 3.899 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cc3ccccc3)c2)cn1 ZINC001198266146 1135788498 /nfs/dbraw/zinc/78/84/98/1135788498.db2.gz VOIIRXDKMTZKRF-UHFFFAOYSA-N -1 0 338.432 3.782 20 0 EHADRM O=S(=O)([N-]c1cccc(-c2ccncc2)c1)c1cccc(Cl)n1 ZINC001198234906 1135790010 /nfs/dbraw/zinc/79/00/10/1135790010.db2.gz SPZVFQGJPIUUQS-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM Cc1cccc2cccc([N-]S(=O)(=O)c3cccc(Cl)n3)c12 ZINC001198243189 1135791065 /nfs/dbraw/zinc/79/10/65/1135791065.db2.gz ZEIXQQGJTHLJID-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccsc3)cc2)cn1 ZINC001198320935 1135800469 /nfs/dbraw/zinc/80/04/69/1135800469.db2.gz HABFUGACTFEOMV-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM O=C([O-])c1c(F)cc(Nc2cccnc2Br)cc1F ZINC001203315916 1135808002 /nfs/dbraw/zinc/80/80/02/1135808002.db2.gz FXLNHFLXVXFUFE-UHFFFAOYSA-N -1 0 329.100 3.564 20 0 EHADRM O=S(=O)([N-]c1ccccn1)c1ccccc1Oc1ccccc1 ZINC001198432974 1135814824 /nfs/dbraw/zinc/81/48/24/1135814824.db2.gz XJKNADKPQWDJFO-UHFFFAOYSA-N -1 0 326.377 3.675 20 0 EHADRM O=S(=O)([N-]c1cncs1)c1ccccc1Oc1ccccc1 ZINC001198447319 1135821210 /nfs/dbraw/zinc/82/12/10/1135821210.db2.gz LCGAVQWVMOMDCF-UHFFFAOYSA-N -1 0 332.406 3.736 20 0 EHADRM CSc1nc2ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc2s1 ZINC000016478523 1135827322 /nfs/dbraw/zinc/82/73/22/1135827322.db2.gz SBJDABQLKSWKGT-UHFFFAOYSA-N -1 0 338.454 3.848 20 0 EHADRM COc1nc(Cl)ccc1S(=O)(=O)Nc1ccc(C)cc1Cl ZINC001198650882 1135842426 /nfs/dbraw/zinc/84/24/26/1135842426.db2.gz GHVPSGZWKFSDDR-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198861853 1135862542 /nfs/dbraw/zinc/86/25/42/1135862542.db2.gz LNRONDWLUHIXOH-UHFFFAOYSA-N -1 0 335.356 3.771 20 0 EHADRM Cc1ccnc(Br)c1Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203318944 1135880401 /nfs/dbraw/zinc/88/04/01/1135880401.db2.gz LLBGEMANGNSLRN-UHFFFAOYSA-N -1 0 343.127 3.873 20 0 EHADRM CC(C)n1ccc(C(=O)Nc2ccc3[n-]c(=S)sc3c2)cc1=O ZINC001199493401 1135907704 /nfs/dbraw/zinc/90/77/04/1135907704.db2.gz PIUYVBNGYWXPMY-UHFFFAOYSA-N -1 0 345.449 3.580 20 0 EHADRM COc1cc(C)c(C(=O)Nc2c(Cl)ccc([O-])c2Cl)cn1 ZINC001199707432 1135921471 /nfs/dbraw/zinc/92/14/71/1135921471.db2.gz FGLGVNACTVPHOX-UHFFFAOYSA-N -1 0 327.167 3.663 20 0 EHADRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H](C)CCCc1ccccc1 ZINC000776088173 1135951675 /nfs/dbraw/zinc/95/16/75/1135951675.db2.gz FMQFYSZUJYHQTO-HOTGVXAUSA-N -1 0 339.501 3.528 20 0 EHADRM S=c1[n-]c2ccc(Nc3cnn(Cc4ccccn4)c3)cc2s1 ZINC001201419679 1136018489 /nfs/dbraw/zinc/01/84/89/1136018489.db2.gz NAPRTPJRCIYDEK-UHFFFAOYSA-N -1 0 339.449 3.968 20 0 EHADRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2sc(Cl)nc2C)on1 ZINC001201728782 1136056254 /nfs/dbraw/zinc/05/62/54/1136056254.db2.gz ZTXHSRJTYGHCHY-SSDOTTSWSA-N -1 0 349.865 3.797 20 0 EHADRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1ccc2c(c1)N=NC2 ZINC001201765783 1136060953 /nfs/dbraw/zinc/06/09/53/1136060953.db2.gz VDMUYIARJNDISJ-UHFFFAOYSA-N -1 0 328.806 3.503 20 0 EHADRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1cc(C)c(C)cc1C ZINC001201764154 1136061231 /nfs/dbraw/zinc/06/12/31/1136061231.db2.gz AHDMAADAGNUOQI-UHFFFAOYSA-N -1 0 330.862 3.831 20 0 EHADRM COc1ccccc1NC(=O)Nc1c(Cl)c(F)[n-]c(=O)c1Cl ZINC001202115996 1136096539 /nfs/dbraw/zinc/09/65/39/1136096539.db2.gz CGDLNZKCBBIFHF-UHFFFAOYSA-N -1 0 346.145 3.886 20 0 EHADRM COc1cccc(C2(CNC(=O)c3cccc(Cl)c3[O-])CC2)c1 ZINC000811585364 1136108170 /nfs/dbraw/zinc/10/81/70/1136108170.db2.gz NHHPAHZWKNMHKC-UHFFFAOYSA-N -1 0 331.799 3.516 20 0 EHADRM CC(C)(O)c1cnc(NC(=O)c2c([O-])cc(Cl)cc2Cl)s1 ZINC000811618564 1136113170 /nfs/dbraw/zinc/11/31/70/1136113170.db2.gz ZAVWECXQPMRXDL-UHFFFAOYSA-N -1 0 347.223 3.635 20 0 EHADRM Cc1c(=O)[n-]n(-c2ccccc2)c1NC(=O)Nc1cccc(F)c1 ZINC001202237959 1136118626 /nfs/dbraw/zinc/11/86/26/1136118626.db2.gz OQPXKVUQYVVZDU-UHFFFAOYSA-N -1 0 326.331 3.669 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCC(C)CC3)cc2)c(C)o1 ZINC000776271160 1136126991 /nfs/dbraw/zinc/12/69/91/1136126991.db2.gz IFOKEAOHASHZHR-UHFFFAOYSA-N -1 0 348.468 3.934 20 0 EHADRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccnc(Cl)c1C ZINC000811836267 1136143153 /nfs/dbraw/zinc/14/31/53/1136143153.db2.gz LQKXJPDRNASYAN-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)NCc2cccc3cccnc32)c1 ZINC000811821413 1136145383 /nfs/dbraw/zinc/14/53/83/1136145383.db2.gz DYEQOBVCPNWGCP-UHFFFAOYSA-N -1 0 340.766 3.516 20 0 EHADRM CC(C(=O)N(C(C)C)C(C)C)=S([O-])c1cccc(C(F)(F)F)c1 ZINC000107996442 1136181545 /nfs/dbraw/zinc/18/15/45/1136181545.db2.gz JIWRFPANEPTRPC-MYODQAERSA-N -1 0 349.418 3.847 20 0 EHADRM Cc1cccc2c(=O)[nH]c(C(Cl)=Cc3ccc(C(=O)[O-])cc3)nc12 ZINC000007136593 1136192296 /nfs/dbraw/zinc/19/22/96/1136192296.db2.gz DIZFMFTVSVXAGD-ZROIWOOFSA-N -1 0 340.766 3.667 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2c(Cl)nc3ccccn32)c1 ZINC000812703634 1136235333 /nfs/dbraw/zinc/23/53/33/1136235333.db2.gz FSLPGIRTODEXKE-UHFFFAOYSA-N -1 0 343.770 3.538 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]C(=O)[C@H]2CCCC3(CC3)C2)c1 ZINC000850907272 1136317277 /nfs/dbraw/zinc/31/72/77/1136317277.db2.gz XPKIJZYAHZHXGC-HNNXBMFYSA-N -1 0 335.469 3.585 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H]1CCCC2(CC2)C1 ZINC000851043473 1136331650 /nfs/dbraw/zinc/33/16/50/1136331650.db2.gz OLISFKAPTLSNNY-CVEARBPZSA-N -1 0 335.469 3.554 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])[C@@H](O)c1ccc(Cl)cc1F ZINC000813519807 1136341384 /nfs/dbraw/zinc/34/13/84/1136341384.db2.gz AIKWCBKVZPRSDM-LBPRGKRZSA-N -1 0 348.132 3.649 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@@H](O)c1ccc(Cl)cc1F ZINC000813612091 1136351216 /nfs/dbraw/zinc/35/12/16/1136351216.db2.gz MUMIVULQDZYFAK-ZDUSSCGKSA-N -1 0 348.132 3.649 20 0 EHADRM O=C(CCC1CCCCC1)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000851248470 1136357722 /nfs/dbraw/zinc/35/77/22/1136357722.db2.gz YUUPRTRPVWCGEV-UHFFFAOYSA-N -1 0 335.425 3.598 20 0 EHADRM C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)CSc1n[n-]c(=S)s1 ZINC000813783547 1136362010 /nfs/dbraw/zinc/36/20/10/1136362010.db2.gz CCRWMFVSHBARDQ-UWVGGRQHSA-N -1 0 345.559 3.592 20 0 EHADRM COC(=O)c1cc(NC(=O)c2cccc(Cl)c2[O-])cc2[nH]ccc21 ZINC000813863189 1136368158 /nfs/dbraw/zinc/36/81/58/1136368158.db2.gz PIBATMKDDVMHTP-UHFFFAOYSA-N -1 0 344.754 3.566 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@@H](C)CC(C)C ZINC000814016638 1136386500 /nfs/dbraw/zinc/38/65/00/1136386500.db2.gz OASSPHMKCOQVAR-GOEBONIOSA-N -1 0 325.474 3.656 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccoc1C(C)C ZINC000814020367 1136386991 /nfs/dbraw/zinc/38/69/91/1136386991.db2.gz SGXKDIUVIZKNRR-OAHLLOKOSA-N -1 0 335.425 3.614 20 0 EHADRM CC[C@@H](C(=O)[N-]S(=O)(=O)[C@H](CC)c1ccccc1)c1ccccc1 ZINC000814020852 1136387084 /nfs/dbraw/zinc/38/70/84/1136387084.db2.gz WSUVEINDDGEVRB-QZTJIDSGSA-N -1 0 345.464 3.778 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N2CCCC[C@@H]2Cc2ccccc2)o1 ZINC000851593621 1136394944 /nfs/dbraw/zinc/39/49/44/1136394944.db2.gz BDMSTRRZLWPSOR-YBHKSSGVSA-N -1 0 339.391 3.615 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)Nc2ccccc2OC2CCCC2)o1 ZINC000851594326 1136395171 /nfs/dbraw/zinc/39/51/71/1136395171.db2.gz IHORSVKDNANGBQ-ZRDIBKRKSA-N -1 0 341.363 3.951 20 0 EHADRM CN(C(=O)c1ccc(/C=C/C(=O)[O-])o1)c1ccc(C(C)(C)C)cc1 ZINC000851594282 1136395187 /nfs/dbraw/zinc/39/51/87/1136395187.db2.gz HKYXUAXHBSIFMF-ZRDIBKRKSA-N -1 0 327.380 3.952 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1sccc1-c1ccc(F)cc1 ZINC000851625750 1136396935 /nfs/dbraw/zinc/39/69/35/1136396935.db2.gz UTMXVRLJCDPKBY-KBXCAEBGSA-N -1 0 347.411 3.927 20 0 EHADRM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC000851705011 1136400286 /nfs/dbraw/zinc/40/02/86/1136400286.db2.gz HSAAELYQTCVHGL-GOEBONIOSA-N -1 0 346.471 3.682 20 0 EHADRM CCCCC[C@H](CC)C(=O)Nc1nc(Cl)c(C(=O)OCC)[n-]1 ZINC001134103635 1136407981 /nfs/dbraw/zinc/40/79/81/1136407981.db2.gz VPYJKJJNVKPXCM-JTQLQIEISA-N -1 0 329.828 3.785 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H](CC(C)C)c2ccccc2)c(C)o1 ZINC000776564370 1136428657 /nfs/dbraw/zinc/42/86/57/1136428657.db2.gz BLGRVMPQFUIWPP-MRXNPFEDSA-N -1 0 349.452 3.531 20 0 EHADRM CCS(=O)(=O)c1ccc([O-])c(NC(=O)CCCCCC(C)C)c1 ZINC000747936524 1136443774 /nfs/dbraw/zinc/44/37/74/1136443774.db2.gz VCWSACGXNZVPBR-UHFFFAOYSA-N -1 0 341.473 3.731 20 0 EHADRM COc1ccc(C[C@H](C)C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)cc1 ZINC000776631230 1136493800 /nfs/dbraw/zinc/49/38/00/1136493800.db2.gz FSHJKDAYXPNKBY-VDBIKXPHSA-N -1 0 339.391 3.610 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC000776632025 1136494245 /nfs/dbraw/zinc/49/42/45/1136494245.db2.gz SMEVZBCWUVYEAG-MSKHEQNASA-N -1 0 339.391 3.925 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000776631979 1136494500 /nfs/dbraw/zinc/49/45/00/1136494500.db2.gz RRRVMIKRMFPICB-QLKUMGTLSA-N -1 0 331.412 3.851 20 0 EHADRM CCCCN(C)c1ccc(NC(=O)NC[C@H](C(=O)[O-])C2CCC2)cc1 ZINC000853092697 1136508015 /nfs/dbraw/zinc/50/80/15/1136508015.db2.gz IYYGPOMFHFSDNR-KRWDZBQOSA-N -1 0 347.459 3.545 20 0 EHADRM O=C([O-])[C@H](CNC(=O)Nc1cccc(SC(F)F)c1)C1CCC1 ZINC000853092034 1136508034 /nfs/dbraw/zinc/50/80/34/1136508034.db2.gz JYPBZVKRIKVVQA-GFCCVEGCSA-N -1 0 344.383 3.624 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCCc1ccccc1)c1ccc(F)cc1F ZINC000776654413 1136523667 /nfs/dbraw/zinc/52/36/67/1136523667.db2.gz NVKVOLJUCIRHSO-KRWDZBQOSA-N -1 0 347.361 3.620 20 0 EHADRM CC[C@H](C)CO[N-]C(=O)C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000815711111 1136631886 /nfs/dbraw/zinc/63/18/86/1136631886.db2.gz FUYJHAJBVCPLLT-AWEZNQCLSA-N -1 0 342.395 3.511 20 0 EHADRM CCCCCCOc1ccc(CC(=O)Nc2c(C)[nH][nH]c2=O)cc1 ZINC000854635320 1136632968 /nfs/dbraw/zinc/63/29/68/1136632968.db2.gz QXGFODHNSVRMBI-UHFFFAOYSA-N -1 0 331.416 3.564 20 0 EHADRM C[C@@H](C(=O)Nc1ccc2[n-]c(=S)oc2c1)c1ccc2c(c1)OCO2 ZINC000815814976 1136639901 /nfs/dbraw/zinc/63/99/01/1136639901.db2.gz FXIOPUAJKJEYFD-SECBINFHSA-N -1 0 342.376 3.587 20 0 EHADRM O=C(c1nn(-c2ccc(F)cc2F)cc1[O-])N1CCCCCCCC1 ZINC000854842738 1136647720 /nfs/dbraw/zinc/64/77/20/1136647720.db2.gz DNGRSLDNWSHMRK-UHFFFAOYSA-N -1 0 349.381 3.653 20 0 EHADRM COC(=O)c1cc(C(=O)O[C@H](C)c2c(F)cccc2Cl)c[nH]1 ZINC000815970338 1136655761 /nfs/dbraw/zinc/65/57/61/1136655761.db2.gz VYQYFWXAVXAHDT-MRVPVSSYSA-N -1 0 325.723 3.512 20 0 EHADRM CCCCCCC(=O)[N-]S(=O)(=O)[C@H](c1ccccc1)C(C)C ZINC000816108229 1136677112 /nfs/dbraw/zinc/67/71/12/1136677112.db2.gz BHJHEGXWKLDFQA-KRWDZBQOSA-N -1 0 325.474 3.800 20 0 EHADRM CC(C)c1occc1C(=O)[N-]S(=O)(=O)[C@H](c1ccccc1)C(C)C ZINC000816109103 1136677247 /nfs/dbraw/zinc/67/72/47/1136677247.db2.gz VUYFYXAJSNBZAE-KRWDZBQOSA-N -1 0 349.452 3.860 20 0 EHADRM CC(C(=O)[N-]S(=O)(=O)[C@H](c1ccccc1)C(C)C)=C1CCCC1 ZINC000816110964 1136677600 /nfs/dbraw/zinc/67/76/00/1136677600.db2.gz MLFMNQBEIPYOHY-KRWDZBQOSA-N -1 0 335.469 3.720 20 0 EHADRM C/C(=C\C(C)(C)C)C(=O)[N-]S(=O)(=O)[C@@H](c1ccccc1)C(C)C ZINC000816113180 1136678056 /nfs/dbraw/zinc/67/80/56/1136678056.db2.gz MBVLLUBQOHZHDR-WCRPCQDQSA-N -1 0 337.485 3.822 20 0 EHADRM CC1(C)CCN(C(=O)CSc2n[n-]c(=S)s2)CC(C)(C)C1 ZINC000855691149 1136718954 /nfs/dbraw/zinc/71/89/54/1136718954.db2.gz YJZKFAYBKAVVBN-UHFFFAOYSA-N -1 0 345.559 3.594 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@@H](C)c2ccccc2)n1 ZINC001135609806 1136728682 /nfs/dbraw/zinc/72/86/82/1136728682.db2.gz OASSOULTUZRSLA-ZDUSSCGKSA-N -1 0 339.370 3.516 20 0 EHADRM CCS(=O)(=O)c1ccc(F)c(-c2cc(Cl)c([O-])cc2F)c1 ZINC001245671533 1136742124 /nfs/dbraw/zinc/74/21/24/1136742124.db2.gz ZKZRMCZPIOYRJM-UHFFFAOYSA-N -1 0 332.755 3.784 20 0 EHADRM Cc1ncoc1CNC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000816707276 1136750017 /nfs/dbraw/zinc/75/00/17/1136750017.db2.gz GNDSWHOASROFGI-UHFFFAOYSA-N -1 0 342.782 3.939 20 0 EHADRM O=C(Nc1cnn(-c2ccccc2)c1)c1ccc2oc(=S)[n-]c2c1 ZINC000816905761 1136764744 /nfs/dbraw/zinc/76/47/44/1136764744.db2.gz MPYSMJWRPJQCCX-UHFFFAOYSA-N -1 0 336.376 3.555 20 0 EHADRM CCO[C@H]1C[C@H](NC(=O)c2ccc3oc(=S)[n-]c3c2)C12CCCC2 ZINC000816941216 1136768003 /nfs/dbraw/zinc/76/80/03/1136768003.db2.gz ZNWCFEGFQFDJKP-GJZGRUSLSA-N -1 0 346.452 3.584 20 0 EHADRM CC[C@H](C)CO[N-]C(=O)COC(c1ccccc1)c1ccccc1 ZINC000816978454 1136769296 /nfs/dbraw/zinc/76/92/96/1136769296.db2.gz ULZBHUYUGDCCOQ-INIZCTEOSA-N -1 0 327.424 3.887 20 0 EHADRM CC(C)c1ccccc1N(C)C(=O)CSc1n[n-]c(=S)s1 ZINC000752899079 1136774586 /nfs/dbraw/zinc/77/45/86/1136774586.db2.gz KDRZDMIACKAGAZ-UHFFFAOYSA-N -1 0 339.511 3.705 20 0 EHADRM C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)[N-]OCC1CC1 ZINC000817330909 1136798655 /nfs/dbraw/zinc/79/86/55/1136798655.db2.gz SKBTXQUJSIUSAP-JTQLQIEISA-N -1 0 336.844 3.827 20 0 EHADRM C[C@H](CC(=O)N1CCC([C@H](CC(=O)[O-])c2ccccc2)CC1)C1CC1 ZINC000856930133 1136825270 /nfs/dbraw/zinc/82/52/70/1136825270.db2.gz RTPSBQLZQBCZGS-DNVCBOLYSA-N -1 0 343.467 3.920 20 0 EHADRM O=C(c1s[n-]c(=O)c1Cl)N1CC=C(c2ccc(F)cc2)CC1 ZINC001135998284 1136836782 /nfs/dbraw/zinc/83/67/82/1136836782.db2.gz NLPRGPHXPNFTJZ-UHFFFAOYSA-N -1 0 338.791 3.571 20 0 EHADRM CN(C(=O)c1cccc(C(F)(F)F)c1[O-])c1ccc(F)c(F)c1 ZINC000857440950 1136870853 /nfs/dbraw/zinc/87/08/53/1136870853.db2.gz GRHLYXSUEYFSCR-UHFFFAOYSA-N -1 0 331.240 3.966 20 0 EHADRM Cc1ccc(-n2[n-]c(-c3cccc(Br)c3)cc2=O)nc1 ZINC001245928893 1136950794 /nfs/dbraw/zinc/95/07/94/1136950794.db2.gz KVEDFGSHPQYNTQ-UHFFFAOYSA-N -1 0 330.185 3.711 20 0 EHADRM COC(=O)c1oc(C(=O)[N-]c2nnc(C3CCCCC3)s2)cc1C ZINC000858693338 1136987345 /nfs/dbraw/zinc/98/73/45/1136987345.db2.gz MHMFXYMVYLBFRK-UHFFFAOYSA-N -1 0 349.412 3.526 20 0 EHADRM C[C@H](c1noc(-c2ccc(C[N-]C(=O)C(F)(F)F)o2)n1)C(C)(C)C ZINC000858702835 1136987516 /nfs/dbraw/zinc/98/75/16/1136987516.db2.gz IUBMLFMDASVNPM-MRVPVSSYSA-N -1 0 345.321 3.658 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC[C@@H](c2ccccn2)C1 ZINC000820453590 1136992926 /nfs/dbraw/zinc/99/29/26/1136992926.db2.gz JQLUMWLXVVUTKH-CYBMUJFWSA-N -1 0 339.420 3.531 20 0 EHADRM Cc1sc(NC(=O)c2ncc(C)cc2[O-])nc1-c1ccc(F)cc1 ZINC001136351269 1136997368 /nfs/dbraw/zinc/99/73/68/1136997368.db2.gz KFQALWSWXVHUPY-UHFFFAOYSA-N -1 0 343.383 3.919 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cc1)c1csnc1-c1ccccc1 ZINC000821116455 1137017446 /nfs/dbraw/zinc/01/74/46/1137017446.db2.gz QFZWTYLKZUZQCE-UHFFFAOYSA-N -1 0 334.397 3.750 20 0 EHADRM Cc1oc(CNCc2cccc(C)c2Br)cc1C(=O)[O-] ZINC000859797748 1137031009 /nfs/dbraw/zinc/03/10/09/1137031009.db2.gz NOYZQATUNWMQJU-UHFFFAOYSA-N -1 0 338.201 3.647 20 0 EHADRM CC[C@@H](CSC)N(C)C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000821706926 1137035251 /nfs/dbraw/zinc/03/52/51/1137035251.db2.gz WYCQWGXZZBWCON-ZDUSSCGKSA-N -1 0 347.436 3.678 20 0 EHADRM CC(C)(C)c1ccc(-c2nc([N-]C(=O)c3cc(Cl)no3)n[nH]2)cc1 ZINC001136506366 1137039779 /nfs/dbraw/zinc/03/97/79/1137039779.db2.gz OATQYSFCHQYEEK-UHFFFAOYSA-N -1 0 345.790 3.663 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)cc1Cl ZINC000117227361 1137045315 /nfs/dbraw/zinc/04/53/15/1137045315.db2.gz SZWICESYLAGYEV-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM COc1cc2ccccc2cc1C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000013449104 1137085770 /nfs/dbraw/zinc/08/57/70/1137085770.db2.gz XQPNOOFMWOCQST-UHFFFAOYSA-N -1 0 347.370 3.750 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)/C=C/c1ccc(Cl)cc1 ZINC000013448551 1137085865 /nfs/dbraw/zinc/08/58/65/1137085865.db2.gz UYMWKPSSOUQISJ-FPYGCLRLSA-N -1 0 327.767 3.641 20 0 EHADRM CC(=O)Nc1c(C)ccc(NC(=O)c2ccc(Cl)c([O-])c2)c1C ZINC001136691831 1137089938 /nfs/dbraw/zinc/08/99/38/1137089938.db2.gz FCDLZQVJQNLSJS-UHFFFAOYSA-N -1 0 332.787 3.873 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N3C[C@@H]4CCC[C@H]4[C@@H]3C(=O)[O-])[nH]c2c1 ZINC000823340072 1137095667 /nfs/dbraw/zinc/09/56/67/1137095667.db2.gz YZRMAFQWUXIKDX-HDMKZQKVSA-N -1 0 340.423 3.617 20 0 EHADRM C[C@@H]1[C@H](C)CN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])[C@H]1C ZINC000823689023 1137109291 /nfs/dbraw/zinc/10/92/91/1137109291.db2.gz AUEALHLUWKRLLE-UPJWGTAASA-N -1 0 327.380 3.581 20 0 EHADRM CC(C)c1cc(Cl)ccc1NC(=O)C(=O)[N-]OC1CCCCC1 ZINC000861811722 1137121373 /nfs/dbraw/zinc/12/13/73/1137121373.db2.gz UZZPZHVUZUMRIM-UHFFFAOYSA-N -1 0 338.835 3.782 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)CCCCC(C)(C)C)c(C)s1 ZINC000805868928 1137143166 /nfs/dbraw/zinc/14/31/66/1137143166.db2.gz NHPSYFUVCILQHX-UHFFFAOYSA-N -1 0 331.503 3.776 20 0 EHADRM CO[C@H](CNC(=O)c1ccc(Cl)c([O-])c1)c1cccc(Cl)c1 ZINC001136980263 1137162734 /nfs/dbraw/zinc/16/27/34/1137162734.db2.gz GANDOTMRDRDBRZ-OAHLLOKOSA-N -1 0 340.206 3.817 20 0 EHADRM O=C(Nc1ccccc1[S-])[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC001143650021 1137186442 /nfs/dbraw/zinc/18/64/42/1137186442.db2.gz XYWVAIPQCVAPHS-CYBMUJFWSA-N -1 0 327.327 3.666 20 0 EHADRM CC[C@@H](NC(=O)CC1CCC(C(=O)[O-])CC1)c1ccccc1OC ZINC000844152782 1137199856 /nfs/dbraw/zinc/19/98/56/1137199856.db2.gz YIMGMKDOLWFJAN-ZBCRRDGASA-N -1 0 333.428 3.544 20 0 EHADRM CC(C)c1ccsc1C(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000844157016 1137200133 /nfs/dbraw/zinc/20/01/33/1137200133.db2.gz NLGCEVHSPXJYSN-IBGZPJMESA-N -1 0 343.448 3.740 20 0 EHADRM C[C@H]1CN(c2nccc3ccc(Br)cc32)CC[C@@H]1C(=O)[O-] ZINC000863734122 1137201302 /nfs/dbraw/zinc/20/13/02/1137201302.db2.gz LABLSZJTIPJNJR-GWCFXTLKSA-N -1 0 349.228 3.544 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N2CCS[C@H](c3ccccc3)C2)CC1 ZINC000844156315 1137202495 /nfs/dbraw/zinc/20/24/95/1137202495.db2.gz LPNGDCAPDLMDRB-PREGVCBESA-N -1 0 347.480 3.584 20 0 EHADRM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000794577269 1137209533 /nfs/dbraw/zinc/20/95/33/1137209533.db2.gz SFKAQAQNMHTCDG-UHFFFAOYSA-N -1 0 341.791 3.873 20 0 EHADRM CSCCCCCCC(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000864098805 1137214746 /nfs/dbraw/zinc/21/47/46/1137214746.db2.gz UQMJPYQDSFQGTO-ILXRZTDVSA-N -1 0 327.490 3.544 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)/C=C/c2cc(C(=O)[O-])co2)c1 ZINC000864103380 1137214989 /nfs/dbraw/zinc/21/49/89/1137214989.db2.gz JIJQKUCKSQQJRI-IWAYRVGRSA-N -1 0 325.364 3.663 20 0 EHADRM COc1ccc([C@@H](C)CCNC(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000864111371 1137215709 /nfs/dbraw/zinc/21/57/09/1137215709.db2.gz AXRMXUUQVFHZJS-ZDUSSCGKSA-N -1 0 341.407 3.625 20 0 EHADRM Cn1nc(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])c2ccccc21 ZINC000864115477 1137215823 /nfs/dbraw/zinc/21/58/23/1137215823.db2.gz BSRMKOKSFKRIEW-UHFFFAOYSA-N -1 0 345.358 3.677 20 0 EHADRM O=C([O-])C1CCC(NC(=O)/C=C/c2ccc(F)c3ccccc23)CC1 ZINC000864120279 1137216054 /nfs/dbraw/zinc/21/60/54/1137216054.db2.gz GLROKAWFUIKZAQ-XYOKQWHBSA-N -1 0 341.382 3.752 20 0 EHADRM CCCCC[C@@H](NC(=O)[C@@H](C)Cc1cncc2ccccc21)C(=O)[O-] ZINC000864125766 1137216203 /nfs/dbraw/zinc/21/62/03/1137216203.db2.gz KBMBOPLWJWKSTL-KBXCAEBGSA-N -1 0 342.439 3.563 20 0 EHADRM C[C@@H](CNC(=O)Cc1coc2c1ccc(Cl)c2Cl)CC(=O)[O-] ZINC000864132235 1137216666 /nfs/dbraw/zinc/21/66/66/1137216666.db2.gz NGZFWICHEPLEKE-MRVPVSSYSA-N -1 0 344.194 3.509 20 0 EHADRM CCC[C@H](C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1)c1cccc(Cl)c1 ZINC000864140755 1137216923 /nfs/dbraw/zinc/21/69/23/1137216923.db2.gz DDYGHNBVPPGOMI-WQVCFCJDSA-N -1 0 337.847 3.793 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000864137204 1137216952 /nfs/dbraw/zinc/21/69/52/1137216952.db2.gz PKVJNXAJVMXXSL-XCOQAZTISA-N -1 0 343.354 3.665 20 0 EHADRM Cc1ccc(N(CC2CC2)C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1F ZINC000864179079 1137218175 /nfs/dbraw/zinc/21/81/75/1137218175.db2.gz PQSHKXDXPRQLJS-HUUCEWRRSA-N -1 0 333.403 3.768 20 0 EHADRM O=C([O-])c1coc(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)c1 ZINC000864191391 1137218594 /nfs/dbraw/zinc/21/85/94/1137218594.db2.gz GFBLKWPUJSUVMT-UHFFFAOYSA-N -1 0 347.798 3.759 20 0 EHADRM C[C@@H](CC(=O)NCc1cc(C(=O)[O-])co1)Cc1ccc(Cl)cc1 ZINC000864191831 1137218712 /nfs/dbraw/zinc/21/87/12/1137218712.db2.gz PFGHHYJDVQMJDG-LLVKDONJSA-N -1 0 335.787 3.516 20 0 EHADRM O=C([O-])C1CC(NC(=O)c2ccc(SCc3ccccc3)cc2)C1 ZINC000864205485 1137218780 /nfs/dbraw/zinc/21/87/80/1137218780.db2.gz MAWQTRYSQINDMP-UHFFFAOYSA-N -1 0 341.432 3.572 20 0 EHADRM C[C@H](C(=O)N[C@@](C)(CC(=O)[O-])C1CC1)c1c(Cl)cccc1Cl ZINC000864200208 1137218932 /nfs/dbraw/zinc/21/89/32/1137218932.db2.gz TUHPIYOHJCZNRC-FVMDXXJSSA-N -1 0 344.238 3.857 20 0 EHADRM Cc1ccc2cc(Cl)cc(C(=O)N[C@@](C)(CC(=O)[O-])C3CC3)c2n1 ZINC000864200800 1137218988 /nfs/dbraw/zinc/21/89/88/1137218988.db2.gz GFWCJMOQGAJGMP-SFHVURJKSA-N -1 0 346.814 3.570 20 0 EHADRM CSc1cc(C)c(C(=O)N[C@H](CC(=O)[O-])c2cccc(C)c2)o1 ZINC000864232467 1137219476 /nfs/dbraw/zinc/21/94/76/1137219476.db2.gz PGRLIGYEROVLLH-CYBMUJFWSA-N -1 0 333.409 3.564 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)[C@@H](C)c2cccc(F)c2)c1 ZINC000864229952 1137219534 /nfs/dbraw/zinc/21/95/34/1137219534.db2.gz PAFJJJWTHNBJGG-SUMWQHHRSA-N -1 0 329.371 3.570 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2C[C@]23CCc2ccccc23)c1 ZINC000864231566 1137219575 /nfs/dbraw/zinc/21/95/75/1137219575.db2.gz HWYTYKGKGNIVBV-IPJJNNNSSA-N -1 0 349.430 3.531 20 0 EHADRM CC(C)Oc1c(NCc2cnc(Cl)c(F)c2)cccc1C(=O)[O-] ZINC000864511497 1137231144 /nfs/dbraw/zinc/23/11/44/1137231144.db2.gz ZYFWFSWIUSYVLM-UHFFFAOYSA-N -1 0 338.766 3.972 20 0 EHADRM C[C@@H]1Cc2cc(-c3ccc([S@](=O)CCCC(=O)[O-])cc3)ccc2O1 ZINC000864610559 1137236530 /nfs/dbraw/zinc/23/65/30/1137236530.db2.gz QGODNODDADJFBR-YEBMWUKDSA-N -1 0 344.432 3.649 20 0 EHADRM COc1cc(Cl)ccc1CO[N-]C(=O)C(C)(C)c1ccccc1 ZINC000794718997 1137243387 /nfs/dbraw/zinc/24/33/87/1137243387.db2.gz DRVTWNORKFDWJO-UHFFFAOYSA-N -1 0 333.815 3.874 20 0 EHADRM Cc1sc(/C=C\c2ccc(C(=O)N3CCCC3)cc2)nc1C(=O)[O-] ZINC000865223918 1137269136 /nfs/dbraw/zinc/26/91/36/1137269136.db2.gz MVOYJSCYKZHBKM-TWGQIWQCSA-N -1 0 342.420 3.556 20 0 EHADRM C[C@H](c1ccccc1)[C@](C)(O)C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000121110860 1137360969 /nfs/dbraw/zinc/36/09/69/1137360969.db2.gz JKOBUFLOGJYPBI-ZMZPIMSZSA-N -1 0 342.420 3.610 20 0 EHADRM Cc1n[nH]c(C(=O)N[C@@H](c2oc3ccccc3c2C)C(C)C)c1[O-] ZINC001146448065 1137390583 /nfs/dbraw/zinc/39/05/83/1137390583.db2.gz NAGCXZZBPLOASI-CQSZACIVSA-N -1 0 327.384 3.605 20 0 EHADRM C[C@@H]1N(C(=O)c2nn(-c3ccccc3)cc2[O-])c2ccccc2C1(C)C ZINC001147350054 1137406040 /nfs/dbraw/zinc/40/60/40/1137406040.db2.gz RAYZKAQWXYMXLL-AWEZNQCLSA-N -1 0 347.418 3.904 20 0 EHADRM Cc1cccc2c1N(C(=O)c1ccc(-c3ccc(C=O)o3)cc1[O-])CC2 ZINC001148334016 1137422779 /nfs/dbraw/zinc/42/27/79/1137422779.db2.gz DLRHDZBANIHIJJ-UHFFFAOYSA-N -1 0 347.370 3.976 20 0 EHADRM CCc1oc(C(=O)Nc2ccc3nc(C)sc3c2)cc1C(=O)[O-] ZINC000339086227 1137433655 /nfs/dbraw/zinc/43/36/55/1137433655.db2.gz XYFUPCYSSAPYMT-UHFFFAOYSA-N -1 0 330.365 3.711 20 0 EHADRM COc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2[O-])c(C)n1 ZINC001148805403 1137435332 /nfs/dbraw/zinc/43/53/32/1137435332.db2.gz KBZUFJJJEVOLLN-UHFFFAOYSA-N -1 0 327.167 3.663 20 0 EHADRM CC(=O)c1ncccc1NC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001148805377 1137435420 /nfs/dbraw/zinc/43/54/20/1137435420.db2.gz IYRZDCMMWRUQAM-UHFFFAOYSA-N -1 0 325.151 3.549 20 0 EHADRM CC1(C)C[C@@H](CNC(=O)c2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC001148813853 1137435762 /nfs/dbraw/zinc/43/57/62/1137435762.db2.gz KADRBPUFUBPJTE-VIFPVBQESA-N -1 0 332.227 3.634 20 0 EHADRM CCc1oc(C(=O)NCCSCc2ccc(C)cc2)cc1C(=O)[O-] ZINC000339088517 1137437158 /nfs/dbraw/zinc/43/71/58/1137437158.db2.gz RUAAPXDCTRPFCK-UHFFFAOYSA-N -1 0 347.436 3.512 20 0 EHADRM CC(C)CCc1nnc([N-]C(=O)c2scnc2C(F)F)s1 ZINC000869226491 1137442610 /nfs/dbraw/zinc/44/26/10/1137442610.db2.gz QKXZHIFLILAIJU-UHFFFAOYSA-N -1 0 332.401 3.773 20 0 EHADRM O=S(=O)([N-]c1ncccc1F)c1csc2ccc(Cl)cc21 ZINC000350663201 1137455273 /nfs/dbraw/zinc/45/52/73/1137455273.db2.gz RDBPZBINYSZBTQ-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCC2(CCSCC2)CC1 ZINC000870250696 1137483588 /nfs/dbraw/zinc/48/35/88/1137483588.db2.gz UCEJYCPADPQWBL-UHFFFAOYSA-N -1 0 325.861 3.795 20 0 EHADRM O=C([O-])c1c(F)cc(Nc2ccc3c(c2)CN(C2CC2)C3=O)cc1F ZINC001203334240 1137489596 /nfs/dbraw/zinc/48/95/96/1137489596.db2.gz QQXJVSXHOBZBDB-UHFFFAOYSA-N -1 0 344.317 3.525 20 0 EHADRM CCOC(=O)Cc1ccccc1Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203334243 1137489643 /nfs/dbraw/zinc/48/96/43/1137489643.db2.gz QRZUMZFHKSKJTE-UHFFFAOYSA-N -1 0 335.306 3.512 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)NC(=O)c1n[n-]c2ccccc2c1=O ZINC001171556524 1137497611 /nfs/dbraw/zinc/49/76/11/1137497611.db2.gz FVDDXHZKRPXHJC-OAQYLSRUSA-N -1 0 349.434 3.723 20 0 EHADRM Cc1ccccc1[C@H](NCc1ccc(CSC(F)F)o1)C(=O)[O-] ZINC000871882628 1137562492 /nfs/dbraw/zinc/56/24/92/1137562492.db2.gz ODADSNFOAJDBEK-AWEZNQCLSA-N -1 0 341.379 3.959 20 0 EHADRM O=c1c(F)c(C(F)(F)F)[n-]n1Cc1c(Cl)cccc1Cl ZINC000871962046 1137563739 /nfs/dbraw/zinc/56/37/39/1137563739.db2.gz WTFJYYPHROIREK-MRVPVSSYSA-N -1 0 329.080 3.592 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(F)c(C)c2)noc1C(C)(C)C ZINC000872007679 1137564312 /nfs/dbraw/zinc/56/43/12/1137564312.db2.gz XQVINKYYISNPLH-UHFFFAOYSA-N -1 0 326.393 3.529 20 0 EHADRM C[C@@H](C1CC1)n1nccc1NC(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000825574840 1137570530 /nfs/dbraw/zinc/57/05/30/1137570530.db2.gz BXIOQEBIZCMCGG-VIFPVBQESA-N -1 0 328.397 3.536 20 0 EHADRM O=C([O-])[C@@H]1CCN(Cc2cc(C(F)(F)F)co2)c2ccccc21 ZINC000872162641 1137574529 /nfs/dbraw/zinc/57/45/29/1137574529.db2.gz VAZKBFXEFOYFJF-CYBMUJFWSA-N -1 0 325.286 3.877 20 0 EHADRM O=C([O-])[C@H]1CCN(Cc2cc(C(F)(F)F)co2)c2ccccc21 ZINC000872162642 1137574602 /nfs/dbraw/zinc/57/46/02/1137574602.db2.gz VAZKBFXEFOYFJF-ZDUSSCGKSA-N -1 0 325.286 3.877 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)c1cc3c(ccc4ccccc34)[nH]1)CC2 ZINC000872766884 1137584163 /nfs/dbraw/zinc/58/41/63/1137584163.db2.gz GPDGPPHGQIXRLI-NQIIRXRSSA-N -1 0 348.402 3.791 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)c1ccc(Oc3ccccc3)o1)CC2 ZINC000872767092 1137584165 /nfs/dbraw/zinc/58/41/65/1137584165.db2.gz LFHTWHQKPWUVTJ-BEFAXECRSA-N -1 0 341.363 3.541 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)[C@](C)(CC(=O)[O-])c2ccc(F)cc2)s1 ZINC000872838657 1137585339 /nfs/dbraw/zinc/58/53/39/1137585339.db2.gz HHGATRMJBSFRKJ-KPZWWZAWSA-N -1 0 349.427 3.805 20 0 EHADRM Cc1ccc(-c2ncco2)cc1NC(=O)C1=C(C(=O)[O-])CCCC1 ZINC000872853868 1137585526 /nfs/dbraw/zinc/58/55/26/1137585526.db2.gz WXRYAGZIQSOAJK-UHFFFAOYSA-N -1 0 326.352 3.544 20 0 EHADRM Cc1ncc(-c2ccc(NC(=O)C3=C(C(=O)[O-])CCCC3)cc2)o1 ZINC000872892574 1137586204 /nfs/dbraw/zinc/58/62/04/1137586204.db2.gz NVJQBRCQAXBZIG-UHFFFAOYSA-N -1 0 326.352 3.544 20 0 EHADRM O=C([O-])CC1(CC(=O)NCCc2c[nH]c3ccc(Cl)cc23)CCC1 ZINC000872891553 1137586213 /nfs/dbraw/zinc/58/62/13/1137586213.db2.gz RLOIVLPSAPLHLC-UHFFFAOYSA-N -1 0 348.830 3.515 20 0 EHADRM CCC(CC)(CC(=O)NCc1nc2ccccc2n1C(C)C)C(=O)[O-] ZINC000872934711 1137586726 /nfs/dbraw/zinc/58/67/26/1137586726.db2.gz KFKXBCNSHGQJPU-UHFFFAOYSA-N -1 0 345.443 3.515 20 0 EHADRM CCC(CC)(CC(=O)N[C@H](c1ccccc1)C1CCOCC1)C(=O)[O-] ZINC000872951550 1137586872 /nfs/dbraw/zinc/58/68/72/1137586872.db2.gz LRINNINWVPOFQE-GOSISDBHSA-N -1 0 347.455 3.552 20 0 EHADRM C[C@@H](S[C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1F)C(=O)[O-] ZINC000873001349 1137587760 /nfs/dbraw/zinc/58/77/60/1137587760.db2.gz LIZVSMVIQUETSI-PHDIDXHHSA-N -1 0 340.203 3.666 20 0 EHADRM O=C([O-])[C@@]1(CC(=O)Nc2cscc2Cl)CCc2ccccc21 ZINC000873005367 1137587798 /nfs/dbraw/zinc/58/77/98/1137587798.db2.gz UQKJVZXLCLKXHL-MRXNPFEDSA-N -1 0 335.812 3.699 20 0 EHADRM CN(C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])C(C1CC1)C1CC1 ZINC000874256322 1137612200 /nfs/dbraw/zinc/61/22/00/1137612200.db2.gz UZGUGARGIFTHBJ-UHFFFAOYSA-N -1 0 339.391 3.725 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)N3CCC[C@@H]3C3CCC3)c([O-])c2)o1 ZINC000874338777 1137613254 /nfs/dbraw/zinc/61/32/54/1137613254.db2.gz XJZNHGIHERXCCM-QGZVFWFLSA-N -1 0 339.391 3.869 20 0 EHADRM Cc1ccc([C@@H](C)N(C)C(=O)NCc2ccccc2C(=O)[O-])c(C)c1 ZINC000874409738 1137613731 /nfs/dbraw/zinc/61/37/31/1137613731.db2.gz XJEWHMNUBYBWFK-OAHLLOKOSA-N -1 0 340.423 3.904 20 0 EHADRM Cc1cc(COc2ccc(C(=O)[O-])cc2-c2ccc(C=O)s2)no1 ZINC000874972927 1137627358 /nfs/dbraw/zinc/62/73/58/1137627358.db2.gz RJYNCEQTSABWFB-UHFFFAOYSA-N -1 0 343.360 3.801 20 0 EHADRM Cc1nn(-c2ccc(-c3ccc(C=O)c(F)c3)cc2)c(C)c1C(=O)[O-] ZINC000874972529 1137627379 /nfs/dbraw/zinc/62/73/79/1137627379.db2.gz CGBIWWIHMGCHAR-UHFFFAOYSA-N -1 0 338.338 3.806 20 0 EHADRM O=C([N-]c1nnc(CC2CCCCC2)s1)c1c(F)ccnc1F ZINC000888813491 1137777762 /nfs/dbraw/zinc/77/77/62/1137777762.db2.gz RQVKAAPSYIOYGU-UHFFFAOYSA-N -1 0 338.383 3.586 20 0 EHADRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ncsc1C1CC1 ZINC000882772265 1137833846 /nfs/dbraw/zinc/83/38/46/1137833846.db2.gz OIBBKMIYKMWAQU-UHFFFAOYSA-N -1 0 345.449 3.678 20 0 EHADRM COc1cccc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1O ZINC000130147838 1137834415 /nfs/dbraw/zinc/83/44/15/1137834415.db2.gz XECJTIKHHKVDON-UHFFFAOYSA-N -1 0 328.151 3.666 20 0 EHADRM CCOCc1cccc(NCc2cc(=O)oc3c(C)c(O)ccc23)c1 ZINC000102416166 1137873029 /nfs/dbraw/zinc/87/30/29/1137873029.db2.gz SUUPYFXMCXLSFM-UHFFFAOYSA-N -1 0 339.391 3.956 20 0 EHADRM COc1ccc(C)c(F)c1Nc1ccc(S(=O)(=O)[O-])cc1Cl ZINC001214631130 1137909901 /nfs/dbraw/zinc/90/99/01/1137909901.db2.gz RADFHMBXQBHCTL-UHFFFAOYSA-N -1 0 345.779 3.786 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)[C@@H]3CCC[C@@H](C(F)(F)F)C3)[nH][n-]2)o1 ZINC000332007821 1137928382 /nfs/dbraw/zinc/92/83/82/1137928382.db2.gz YTUBTISNMJFSNN-GHMZBOCLSA-N -1 0 341.333 3.707 20 0 EHADRM CCC[C@H]1CCC[C@@H]1C(=O)OCc1nnc(-c2ccccc2O)o1 ZINC000884531537 1137962380 /nfs/dbraw/zinc/96/23/80/1137962380.db2.gz OYSZHMMXEIKIHW-STQMWFEESA-N -1 0 330.384 3.702 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(SC(F)F)nc2)cc1 ZINC000135248632 1137965004 /nfs/dbraw/zinc/96/50/04/1137965004.db2.gz HZKWAEJHJQFRBW-UHFFFAOYSA-N -1 0 330.381 3.506 20 0 EHADRM CC[C@H]1c2ccsc2CCN1C(=O)c1s[n-]c(=O)c1Cl ZINC000282926797 1137974787 /nfs/dbraw/zinc/97/47/87/1137974787.db2.gz FQXZSLCQEAJALF-QMMMGPOBSA-N -1 0 328.846 3.713 20 0 EHADRM CC[C@@H]1c2ccsc2CCN1C(=O)c1s[n-]c(=O)c1Cl ZINC000282926790 1137974798 /nfs/dbraw/zinc/97/47/98/1137974798.db2.gz FQXZSLCQEAJALF-MRVPVSSYSA-N -1 0 328.846 3.713 20 0 EHADRM Cc1cnc(Cl)c(S(=O)(=O)[N-]c2nc(C3CCC3)cs2)c1 ZINC000886403462 1138073481 /nfs/dbraw/zinc/07/34/81/1138073481.db2.gz AMPJJQMYRWLZGF-UHFFFAOYSA-N -1 0 343.861 3.568 20 0 EHADRM CCSCc1cccnc1[N-]S(=O)(=O)c1cccc(C)c1F ZINC000886444663 1138078662 /nfs/dbraw/zinc/07/86/62/1138078662.db2.gz GDHAZUBFRRNFBH-UHFFFAOYSA-N -1 0 340.445 3.583 20 0 EHADRM C[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000084403777 1138180361 /nfs/dbraw/zinc/18/03/61/1138180361.db2.gz BEZVERVRRNPSMB-XEZPLFJOSA-N -1 0 343.402 3.510 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)c(C)s1 ZINC000090167035 1138209918 /nfs/dbraw/zinc/20/99/18/1138209918.db2.gz XCWDMLHUZXNWLY-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM C[C@@H](NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-])c1csc2ccccc21 ZINC000887287424 1138256356 /nfs/dbraw/zinc/25/63/56/1138256356.db2.gz ZDHUMWVBKZLMDV-ZSSYSCPNSA-N -1 0 341.432 3.601 20 0 EHADRM CCSc1ccc(CNC(=O)C[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000887310960 1138261093 /nfs/dbraw/zinc/26/10/93/1138261093.db2.gz UVUJWGQWNDXVBL-QGZVFWFLSA-N -1 0 343.448 3.673 20 0 EHADRM CC(C)(CCC(=O)[O-])C(=O)Nc1ccc(N2CCCCC2)c(F)c1 ZINC000887317901 1138263520 /nfs/dbraw/zinc/26/35/20/1138263520.db2.gz VUVYHESBXHMIHF-UHFFFAOYSA-N -1 0 336.407 3.646 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccsc2)s1)N1CC[C@@H](C2CCCC2)C1 ZINC000333531742 1138300912 /nfs/dbraw/zinc/30/09/12/1138300912.db2.gz MIGHEZJOBCVOLF-GFCCVEGCSA-N -1 0 348.497 3.733 20 0 EHADRM CC1(C)[C@@H](c2ccccc2)CCN1C(=O)c1s[n-]c(=O)c1Cl ZINC000333675976 1138318401 /nfs/dbraw/zinc/31/84/01/1138318401.db2.gz DMFBMWOXZUOUNM-LLVKDONJSA-N -1 0 336.844 3.910 20 0 EHADRM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)[C@H]1C[C@H]2CC[C@@H]1O2 ZINC000127785917 1138371379 /nfs/dbraw/zinc/37/13/79/1138371379.db2.gz QXCMNVFKMPTSTJ-JHEQGTHGSA-N -1 0 336.602 3.858 20 0 EHADRM Cc1n[n-]c(=NC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)s1 ZINC000337500752 1138587949 /nfs/dbraw/zinc/58/79/49/1138587949.db2.gz VTAJJIQRRYPWHY-CYBMUJFWSA-N -1 0 336.436 3.707 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cccc(Oc3ccncc3)c2)CCCC1 ZINC000264776790 1138636124 /nfs/dbraw/zinc/63/61/24/1138636124.db2.gz LOVNUUOXWVUIBW-UHFFFAOYSA-N -1 0 340.379 3.848 20 0 EHADRM COCCCC[C@@H](N=c1nc([C@H](C)OC)[n-]s1)c1ccccc1 ZINC000337945771 1138703976 /nfs/dbraw/zinc/70/39/76/1138703976.db2.gz VVDBSQFUDCPPHK-DZGCQCFKSA-N -1 0 335.473 3.637 20 0 EHADRM CCn1nccc1/C=C(/CCC(=O)[O-])c1nc2ccccc2s1 ZINC000338079655 1138743926 /nfs/dbraw/zinc/74/39/26/1138743926.db2.gz BZPSCTXHQATRFH-QXMHVHEDSA-N -1 0 327.409 3.918 20 0 EHADRM CC(C)n1cnc(S(=O)(=O)[N-]c2cc(C(F)F)ccc2Cl)c1 ZINC000338217757 1138791458 /nfs/dbraw/zinc/79/14/58/1138791458.db2.gz ZUPNSPFRSYHALF-UHFFFAOYSA-N -1 0 349.790 3.856 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N(Cc2cccs2)C(C)C)s1 ZINC000338260132 1138804972 /nfs/dbraw/zinc/80/49/72/1138804972.db2.gz AQKAFXJVSUDGAA-UHFFFAOYSA-N -1 0 342.515 3.576 20 0 EHADRM CC(C)CC1(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)CCCC1 ZINC000152986842 1139117814 /nfs/dbraw/zinc/11/78/14/1139117814.db2.gz LZXIYFRFLMRVID-UHFFFAOYSA-N -1 0 347.484 3.550 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000826634122 1139197177 /nfs/dbraw/zinc/19/71/77/1139197177.db2.gz YLDKJEDFOYRELG-BLLLJJGKSA-N -1 0 334.416 3.692 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])CCCO1 ZINC000178263408 1139682903 /nfs/dbraw/zinc/68/29/03/1139682903.db2.gz BXAPBVZLFVCOCX-ZDUSSCGKSA-N -1 0 345.826 3.964 20 0 EHADRM COc1cccc(C2CCN(C(=O)c3ccc(F)cc3[O-])CC2)c1 ZINC000179002673 1139729386 /nfs/dbraw/zinc/72/93/86/1139729386.db2.gz YMPDIMNPVOOHHS-UHFFFAOYSA-N -1 0 329.371 3.560 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)C[C@H](C)CC(C)(C)C)c1Cl ZINC000777350233 1139805434 /nfs/dbraw/zinc/80/54/34/1139805434.db2.gz NPBYHQYBCIVFCU-NSHDSACASA-N -1 0 345.892 3.916 20 0 EHADRM CC1(C)CO[C@@H](c2ccccc2Cl)CN1CCCCC(=O)[O-] ZINC000181562836 1139915810 /nfs/dbraw/zinc/91/58/10/1139915810.db2.gz URWDQRZLEHYWTL-OAHLLOKOSA-N -1 0 325.836 3.747 20 0 EHADRM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000183070996 1140011235 /nfs/dbraw/zinc/01/12/35/1140011235.db2.gz NXUJOGIEKCMQKN-CMPLNLGQSA-N -1 0 335.325 3.828 20 0 EHADRM C[C@H](CNC(=O)/C(=C\c1ccc(F)cc1)c1cccs1)CC(=O)[O-] ZINC000777396803 1140048260 /nfs/dbraw/zinc/04/82/60/1140048260.db2.gz RFMYLWZSEIVXMG-GQVHDAKQSA-N -1 0 347.411 3.655 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC(OC2CCCC2)CC1 ZINC000184350580 1140097492 /nfs/dbraw/zinc/09/74/92/1140097492.db2.gz LKANGOISVVZILF-UHFFFAOYSA-N -1 0 341.810 3.749 20 0 EHADRM Cc1cc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)nn1[C@@H](C)C1CC1 ZINC000777416298 1140168830 /nfs/dbraw/zinc/16/88/30/1140168830.db2.gz MDSYFPGODUPYHD-JTQLQIEISA-N -1 0 342.424 3.845 20 0 EHADRM C[C@@]1(Cc2ccccc2)CCC[N@@H+]1Cc1nc(=O)c2sccc2[n-]1 ZINC000186058088 1140184534 /nfs/dbraw/zinc/18/45/34/1140184534.db2.gz WPKIPFRUHPIQLI-IBGZPJMESA-N -1 0 339.464 3.582 20 0 EHADRM Cc1cc(Cl)cc(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)c1 ZINC000357490380 1140402379 /nfs/dbraw/zinc/40/23/79/1140402379.db2.gz DQTHNCWAOWCVLY-UHFFFAOYSA-N -1 0 347.827 3.631 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccccc2Cl)cnn1C1CCCC1 ZINC000194226456 1140602249 /nfs/dbraw/zinc/60/22/49/1140602249.db2.gz PJZVBSBTKLGPPD-UHFFFAOYSA-N -1 0 339.848 3.761 20 0 EHADRM O=C([O-])C1CCC(C(=O)NC2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000194400501 1140607921 /nfs/dbraw/zinc/60/79/21/1140607921.db2.gz GJOCGLZHOFWXAB-UHFFFAOYSA-N -1 0 335.831 3.726 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cccc(Oc3ccccn3)c2)CCCC1 ZINC000266474437 1140692293 /nfs/dbraw/zinc/69/22/93/1140692293.db2.gz RXMUPMVXSHVPEG-UHFFFAOYSA-N -1 0 340.379 3.848 20 0 EHADRM CC(=O)[C@@H](C)SCc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000267546722 1140801699 /nfs/dbraw/zinc/80/16/99/1140801699.db2.gz BMYRDGVTNOGPFY-SECBINFHSA-N -1 0 334.422 3.868 20 0 EHADRM CCCCO[C@@H](C)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000268898987 1141020915 /nfs/dbraw/zinc/02/09/15/1141020915.db2.gz AWHQKSZLRDJNJE-ZDUSSCGKSA-N -1 0 339.457 3.538 20 0 EHADRM Cc1noc([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)c1C ZINC000269043496 1141053759 /nfs/dbraw/zinc/05/37/59/1141053759.db2.gz DPFXJNRYDQUHLZ-UHFFFAOYSA-N -1 0 335.212 3.707 20 0 EHADRM O=C(CC[C@H]1CCCO1)Nc1cc(Br)cc(Cl)c1[O-] ZINC000270680748 1141255761 /nfs/dbraw/zinc/25/57/61/1141255761.db2.gz UPRAWTNKBDAIIX-SECBINFHSA-N -1 0 348.624 3.706 20 0 EHADRM CC(C)[C@@H]1C[C@H](NC(=O)c2c([O-])cc(Cl)cc2Cl)CCO1 ZINC000271476394 1141376950 /nfs/dbraw/zinc/37/69/50/1141376950.db2.gz ZOLYXMJZYLGCJZ-MFKMUULPSA-N -1 0 332.227 3.632 20 0 EHADRM C[C@H](C1CCCCC1)N(C)C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000283068519 1141546680 /nfs/dbraw/zinc/54/66/80/1141546680.db2.gz QBZJTWZXHNOZPN-LLVKDONJSA-N -1 0 345.468 3.665 20 0 EHADRM C[C@H]1CCN(C(=O)c2s[n-]c(=O)c2Cl)[C@H]1c1cccc(F)c1 ZINC000283218623 1141574934 /nfs/dbraw/zinc/57/49/34/1141574934.db2.gz APIRCURVVTYFRH-QPUJVOFHSA-N -1 0 340.807 3.865 20 0 EHADRM CCOc1ccc(CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])cc1 ZINC000020332732 212119624 /nfs/dbraw/zinc/11/96/24/212119624.db2.gz HUQGAXBJUYWDCI-UHFFFAOYSA-N -1 0 333.409 3.643 20 0 EHADRM Cc1sc(NC(=O)COc2cc(C)ccc2C)c(C(=O)[O-])c1C ZINC000020332804 212119299 /nfs/dbraw/zinc/11/92/99/212119299.db2.gz HGJXWPQWBHRHTD-UHFFFAOYSA-N -1 0 333.409 3.697 20 0 EHADRM Cc1ccc(Cl)cc1NS(=O)(=O)c1cccc(Cl)c1[O-] ZINC000573811131 450602919 /nfs/dbraw/zinc/60/29/19/450602919.db2.gz XNVZBFZGLRFPCY-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000263006124 597013850 /nfs/dbraw/zinc/01/38/50/597013850.db2.gz GWHPBZRFYKPKSP-UHFFFAOYSA-N -1 0 343.383 3.639 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000532693867 597089620 /nfs/dbraw/zinc/08/96/20/597089620.db2.gz APNMSUCSNWCPOG-CQSZACIVSA-N -1 0 337.847 3.622 20 0 EHADRM C[C@H](Nc1ccc(NC(=O)CSCC(=O)[O-])cc1)c1ccccc1 ZINC000739035658 597099638 /nfs/dbraw/zinc/09/96/38/597099638.db2.gz IAOQTTPXSKZTJI-ZDUSSCGKSA-N -1 0 344.436 3.616 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)Nc2cccc(OC3CCCC3)c2)C1 ZINC000669495591 597117076 /nfs/dbraw/zinc/11/70/76/597117076.db2.gz JKJVQUMMMZDQAS-CQSZACIVSA-N -1 0 346.427 3.727 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)Nc2ccccc2OC2CCCC2)C1 ZINC000582953997 597117664 /nfs/dbraw/zinc/11/76/64/597117664.db2.gz LJEIIAMTMOGCDQ-AWEZNQCLSA-N -1 0 346.427 3.727 20 0 EHADRM O=C([O-])Cc1cccc(NCc2ccc(Br)s2)c1 ZINC000738631055 597130125 /nfs/dbraw/zinc/13/01/25/597130125.db2.gz YOJDIJCHUWGLAU-UHFFFAOYSA-N -1 0 326.215 3.750 20 0 EHADRM O=C([O-])Cc1cccc(NCc2ccccc2OCc2ccncc2)c1 ZINC000819579997 597139003 /nfs/dbraw/zinc/13/90/03/597139003.db2.gz WWCZTNLTOLPCMX-UHFFFAOYSA-N -1 0 348.402 3.900 20 0 EHADRM COc1ccc(OC(F)F)c(CNc2cccc(CC(=O)[O-])c2)c1 ZINC000818603302 597139634 /nfs/dbraw/zinc/13/96/34/597139634.db2.gz CMWNPXSKAPLQNM-UHFFFAOYSA-N -1 0 337.322 3.536 20 0 EHADRM Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)N[C@@H](C)C(=O)[O-] ZINC000818849357 597177216 /nfs/dbraw/zinc/17/72/16/597177216.db2.gz ZBMPODPIKXVIEC-UONOGXRCSA-N -1 0 342.395 3.730 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N2CCC[C@@H]2Cc2ccccc2)c1 ZINC000738624229 597186895 /nfs/dbraw/zinc/18/68/95/597186895.db2.gz OLBFIXACVBJLMG-GOSISDBHSA-N -1 0 338.407 3.553 20 0 EHADRM CC(C)N(Cc1ccc(F)cc1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737635967 597203207 /nfs/dbraw/zinc/20/32/07/597203207.db2.gz AACCIIGEDROWCQ-UHFFFAOYSA-N -1 0 344.386 3.895 20 0 EHADRM C[C@H](c1nc2ccccc2s1)N(C)C(=O)NCCCCCC(=O)[O-] ZINC000414630488 597234226 /nfs/dbraw/zinc/23/42/26/597234226.db2.gz UHKXASQVNNSAJJ-GFCCVEGCSA-N -1 0 349.456 3.644 20 0 EHADRM O=C([O-])c1ccc(C[S@@](=O)Cc2c(F)cccc2Cl)cc1 ZINC000526854475 597284158 /nfs/dbraw/zinc/28/41/58/597284158.db2.gz PWJIESISZYTEAJ-OAQYLSRUSA-N -1 0 326.776 3.626 20 0 EHADRM C[C@H](c1ccccc1)n1cnnc1SCc1ccc(C(=O)[O-])cc1 ZINC000818071737 597297187 /nfs/dbraw/zinc/29/71/87/597297187.db2.gz XCFMGQWWIOEGED-CYBMUJFWSA-N -1 0 339.420 3.878 20 0 EHADRM C[C@@H](c1ccccc1F)N(C)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000324756436 597341135 /nfs/dbraw/zinc/34/11/35/597341135.db2.gz WDKVGSIHMICBIU-LBPRGKRZSA-N -1 0 330.359 3.678 20 0 EHADRM C[C@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818120730 597341752 /nfs/dbraw/zinc/34/17/52/597341752.db2.gz MWMVEZJDFBNATF-LBPRGKRZSA-N -1 0 342.370 3.604 20 0 EHADRM C[C@H](c1ccccc1)[C@H](C)NC(=O)Nc1ccccc1CC(=O)[O-] ZINC000818039569 597438091 /nfs/dbraw/zinc/43/80/91/597438091.db2.gz HCLQUQBANGAXPG-KBPBESRZSA-N -1 0 326.396 3.627 20 0 EHADRM Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cccc(C(=O)[O-])c1 ZINC000236813124 598137268 /nfs/dbraw/zinc/13/72/68/598137268.db2.gz TWYMUXLAEQHTCZ-UHFFFAOYSA-N -1 0 340.379 3.540 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(F)cc2Br)cc1 ZINC000035347732 598155048 /nfs/dbraw/zinc/15/50/48/598155048.db2.gz NZASMGMFGDOMBL-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM C[C@@H](NC(=O)N1CCC(CC(=O)[O-])CC1)c1cc2ccccc2s1 ZINC000736640923 599701927 /nfs/dbraw/zinc/70/19/27/599701927.db2.gz AGWOIIDJFPZTJL-GFCCVEGCSA-N -1 0 346.452 3.859 20 0 EHADRM CN(Cc1ccccc1-c1ccccc1)C(=O)c1ccc(C(=O)[O-])nc1 ZINC000237174354 599703120 /nfs/dbraw/zinc/70/31/20/599703120.db2.gz OVICOYHVJHODPV-UHFFFAOYSA-N -1 0 346.386 3.719 20 0 EHADRM C[C@H](SCC(=O)[O-])C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000736709444 599705398 /nfs/dbraw/zinc/70/53/98/599705398.db2.gz QWWDXCJHEMWDTO-LURJTMIESA-N -1 0 341.738 3.504 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000740055761 599707834 /nfs/dbraw/zinc/70/78/34/599707834.db2.gz IUOPPXDIWOUWGH-UHFFFAOYSA-N -1 0 340.257 3.927 20 0 EHADRM COc1ccc([C@@H](C)C(=O)Nc2sc(C)c(C)c2C(=O)[O-])cc1 ZINC000737945483 599708006 /nfs/dbraw/zinc/70/80/06/599708006.db2.gz AMNOOUVVKDSXTG-SNVBAGLBSA-N -1 0 333.409 3.814 20 0 EHADRM O=C([O-])NCCCC(=O)OCc1sc2ccccc2c1Cl ZINC000739975463 599714606 /nfs/dbraw/zinc/71/46/06/599714606.db2.gz QDKPGUYQCDQBCB-UHFFFAOYSA-N -1 0 327.789 3.646 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N2CCC[C@@H]2c2ccncc2)ccc1F ZINC000740006675 599716468 /nfs/dbraw/zinc/71/64/68/599716468.db2.gz VGAMQBGDLYAMOO-OAHLLOKOSA-N -1 0 344.346 3.680 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N(Cc2ccncc2)C2CC2)ccc1F ZINC000740007204 599717310 /nfs/dbraw/zinc/71/73/10/599717310.db2.gz ZPZSTRXCBWEDKH-UHFFFAOYSA-N -1 0 344.346 3.507 20 0 EHADRM Cc1ccccc1CN(Cc1ccccc1)C(=O)CCCNC(=O)[O-] ZINC000738772188 599718514 /nfs/dbraw/zinc/71/85/14/599718514.db2.gz VTIYCQTWLOBLRJ-UHFFFAOYSA-N -1 0 340.423 3.572 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N[C@@H]2CCc3ccccc3C2)ccc1F ZINC000740006225 599719578 /nfs/dbraw/zinc/71/95/78/599719578.db2.gz TVUNGXVZMXBJDO-CYBMUJFWSA-N -1 0 343.358 3.595 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)o1 ZINC000740134329 599720966 /nfs/dbraw/zinc/72/09/66/599720966.db2.gz TZAXFQBQGRTQLW-DLBZAZTESA-N -1 0 336.343 3.978 20 0 EHADRM COc1ccc([C@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)[O-])cc1 ZINC000737949240 599722736 /nfs/dbraw/zinc/72/27/36/599722736.db2.gz KZLGYWIFSJDUEI-JTQLQIEISA-N -1 0 333.771 3.789 20 0 EHADRM CCCCN(CCCC)S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000142120091 599725100 /nfs/dbraw/zinc/72/51/00/599725100.db2.gz DWANROJNYDCZTB-UHFFFAOYSA-N -1 0 347.864 3.629 20 0 EHADRM C[C@@H](NC(=O)NCCCC(=O)[O-])c1ccccc1Oc1ccccc1 ZINC000414621117 599736981 /nfs/dbraw/zinc/73/69/81/599736981.db2.gz VAYGRNYUJISFQI-CQSZACIVSA-N -1 0 342.395 3.704 20 0 EHADRM CN(CCCC(=O)Nc1ccccc1Oc1cccc(F)c1)C(=O)[O-] ZINC000737431629 599738385 /nfs/dbraw/zinc/73/83/85/599738385.db2.gz VQLZYWNOFCGWSQ-UHFFFAOYSA-N -1 0 346.358 3.947 20 0 EHADRM CC(C)(NC(=O)[O-])C(=O)N1CC=C(c2cccc3ccccc32)CC1 ZINC000736324055 599745377 /nfs/dbraw/zinc/74/53/77/599745377.db2.gz BRVILBMPQUIQNH-UHFFFAOYSA-N -1 0 338.407 3.502 20 0 EHADRM CN(CCCC(=O)N(C)c1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000737417247 599745727 /nfs/dbraw/zinc/74/57/27/599745727.db2.gz GZZBDGYSXWHOGS-UHFFFAOYSA-N -1 0 342.395 3.832 20 0 EHADRM O=C([O-])C1(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CCCC1 ZINC000237943922 599763455 /nfs/dbraw/zinc/76/34/55/599763455.db2.gz IFVKRQLSIPVJMC-WDEREUQCSA-N -1 0 342.222 3.611 20 0 EHADRM C[C@@]1(C(=O)Nc2ccc(CCC(=O)[O-])cc2)CCCc2ccccc21 ZINC000237616379 599772466 /nfs/dbraw/zinc/77/24/66/599772466.db2.gz KEKOJXPMZVRDLK-OAQYLSRUSA-N -1 0 337.419 3.937 20 0 EHADRM CC[C@@H](C)c1ccc(C(=O)COC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000736893228 599787888 /nfs/dbraw/zinc/78/78/88/599787888.db2.gz ZUCXZOKHBKAPDK-CYBMUJFWSA-N -1 0 340.375 3.938 20 0 EHADRM CCCC[C@H]1CCC[C@H]1NC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000736986398 599789087 /nfs/dbraw/zinc/78/90/87/599789087.db2.gz VMQCKXVBNSBIMC-XJKSGUPXSA-N -1 0 334.416 3.630 20 0 EHADRM Cc1ccc(C)c(CC(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])c1 ZINC000485755054 599797459 /nfs/dbraw/zinc/79/74/59/599797459.db2.gz ULPUNRAIUAHYPM-KRWDZBQOSA-N -1 0 339.435 3.595 20 0 EHADRM Cc1cc(Cl)c(C(C)C)cc1OC(=O)CCSCC(=O)[O-] ZINC000738394675 599797870 /nfs/dbraw/zinc/79/78/70/599797870.db2.gz JDCFJKNPTZCIGA-UHFFFAOYSA-N -1 0 330.833 3.885 20 0 EHADRM O=C([O-])c1ccc2c(=O)[nH]c(C=Cc3ccc4ncccc4c3)nc2c1 ZINC000740190168 599802463 /nfs/dbraw/zinc/80/24/63/599802463.db2.gz KZFJXKLCXSCRQF-YWEYNIOJSA-N -1 0 343.342 3.752 20 0 EHADRM CCC[C@H](NC(=O)Nc1cc(C(=O)[O-])ccc1C)c1ccccn1 ZINC000736971196 599804849 /nfs/dbraw/zinc/80/48/49/599804849.db2.gz AOBVDSIFOQPKEA-HNNXBMFYSA-N -1 0 327.384 3.751 20 0 EHADRM C[C@@H](NC(=S)NCCCCC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000736661541 599806230 /nfs/dbraw/zinc/80/62/30/599806230.db2.gz WXSONFSMZIFTBY-SECBINFHSA-N -1 0 349.283 3.773 20 0 EHADRM COc1ccc(Cl)cc1CC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000013258712 599806761 /nfs/dbraw/zinc/80/67/61/599806761.db2.gz OGTGNLLAFBHUFQ-UHFFFAOYSA-N -1 0 333.771 3.536 20 0 EHADRM C[C@H](CC(=O)NCc1c2ccccc2sc1C(=O)[O-])n1cccc1 ZINC000676018217 599810167 /nfs/dbraw/zinc/81/01/67/599810167.db2.gz BXTYISQCOFDABL-GFCCVEGCSA-N -1 0 342.420 3.669 20 0 EHADRM CCC[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccccn1 ZINC000736973826 599816655 /nfs/dbraw/zinc/81/66/55/599816655.db2.gz MMYOIABZSWPPTC-CQSZACIVSA-N -1 0 331.347 3.582 20 0 EHADRM Cc1ccc(NC(=O)c2csc(-c3ccoc3)n2)c(C(=O)[O-])c1 ZINC000347333437 599817057 /nfs/dbraw/zinc/81/70/57/599817057.db2.gz ZEDFQPARDNVGHD-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)/C=C/Sc2ccccc2)c1 ZINC000737940614 599818675 /nfs/dbraw/zinc/81/86/75/599818675.db2.gz SWNVKRJZQLWKFU-MDZDMXLPSA-N -1 0 330.361 3.605 20 0 EHADRM CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000736375956 599821176 /nfs/dbraw/zinc/82/11/76/599821176.db2.gz MLTBOPUSTUCWJU-QGZVFWFLSA-N -1 0 348.443 3.767 20 0 EHADRM Cc1ccc(CN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)C2CC2)o1 ZINC000738591502 599826449 /nfs/dbraw/zinc/82/64/49/599826449.db2.gz DAJUKFNQIZQZOC-UHFFFAOYSA-N -1 0 342.395 3.802 20 0 EHADRM O=C([O-])N1CCC[C@@H](NC(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000739387154 599827253 /nfs/dbraw/zinc/82/72/53/599827253.db2.gz HTNWEWJYWZPIRA-QGZVFWFLSA-N -1 0 330.428 3.607 20 0 EHADRM CC(C)c1ccc(C(=O)N(CC(=O)[O-])Cc2ccc(F)c(F)c2)cc1 ZINC000431979217 599829990 /nfs/dbraw/zinc/82/99/90/599829990.db2.gz CTBPIBKPNYBDHQ-UHFFFAOYSA-N -1 0 347.361 3.815 20 0 EHADRM CN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1C(=O)[O-] ZINC000322148446 599837386 /nfs/dbraw/zinc/83/73/86/599837386.db2.gz SLTBRLAYBDSMHB-MNOVXSKESA-N -1 0 329.318 3.716 20 0 EHADRM CCCCc1ccc(CC(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC000323911822 599838218 /nfs/dbraw/zinc/83/82/18/599838218.db2.gz RXTNMNKXFCKZLB-UHFFFAOYSA-N -1 0 325.408 3.933 20 0 EHADRM Cc1c(C(=O)N(C)c2ccccc2C(=O)[O-])sc2nccc(C)c12 ZINC000738324503 599838881 /nfs/dbraw/zinc/83/88/81/599838881.db2.gz OGXCOXMCVPXMOF-UHFFFAOYSA-N -1 0 340.404 3.888 20 0 EHADRM Cc1ccc(NC(=O)CCC(=O)c2ccc(C)c(C)c2)c(C(=O)[O-])c1 ZINC000170583963 599840339 /nfs/dbraw/zinc/84/03/39/599840339.db2.gz YCEFXNOGBVBMKJ-UHFFFAOYSA-N -1 0 339.391 3.912 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000322087183 599843756 /nfs/dbraw/zinc/84/37/56/599843756.db2.gz GUVWDFITKYMWRA-RKDXNWHRSA-N -1 0 333.281 3.831 20 0 EHADRM COc1ccc(Sc2ccc(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])cc2)cc1 ZINC000362500467 599844011 /nfs/dbraw/zinc/84/40/11/599844011.db2.gz RZXICTBPIWIQFC-CVEARBPZSA-N -1 0 343.404 3.506 20 0 EHADRM Cc1ccc(C)c(SCC(=O)Nc2cccc(F)c2C(=O)[O-])c1 ZINC000319615406 599844563 /nfs/dbraw/zinc/84/45/63/599844563.db2.gz ZIEOXRQLLPMHEK-UHFFFAOYSA-N -1 0 333.384 3.872 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)c1csc(-c2cccs2)n1 ZINC000319575655 599846071 /nfs/dbraw/zinc/84/60/71/599846071.db2.gz RNSUIGHPQQNJKT-UHFFFAOYSA-N -1 0 348.380 3.961 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)c1cc(F)c(F)cc1Cl ZINC000314464126 599847424 /nfs/dbraw/zinc/84/74/24/599847424.db2.gz LHFXGAXQHKORFM-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM O=C(CC1CCC(c2ccccc2)CC1)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739219931 599847552 /nfs/dbraw/zinc/84/75/52/599847552.db2.gz YYQFJEVHGOXVMU-VMWRSERWSA-N -1 0 344.455 3.609 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)Cc2ccccc2C)cc1 ZINC000237358740 599847826 /nfs/dbraw/zinc/84/78/26/599847826.db2.gz HXKLMCJINAXXRJ-KRWDZBQOSA-N -1 0 343.448 3.592 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2ccccc2C)cc1 ZINC000237347978 599847851 /nfs/dbraw/zinc/84/78/51/599847851.db2.gz HXKLMCJINAXXRJ-QGZVFWFLSA-N -1 0 343.448 3.592 20 0 EHADRM CCC[C@H](NC(=O)c1cccc(OCC(=O)[O-])c1)C1CCCCC1 ZINC000537375627 599849611 /nfs/dbraw/zinc/84/96/11/599849611.db2.gz UZPWGNJMWIIRCF-KRWDZBQOSA-N -1 0 333.428 3.629 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)c1cccc2[nH]ncc21 ZINC000740095601 599850081 /nfs/dbraw/zinc/85/00/81/599850081.db2.gz CDAWSWXVBYRPQK-UHFFFAOYSA-N -1 0 331.331 3.667 20 0 EHADRM CC(C)c1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000236638709 599858893 /nfs/dbraw/zinc/85/88/93/599858893.db2.gz XLHKQAXIRCLDLJ-IBGZPJMESA-N -1 0 339.435 3.555 20 0 EHADRM Cc1cc(CN(CC(=O)[O-])Cc2ccc(F)c(F)c2)c(C)s1 ZINC000738382953 599865897 /nfs/dbraw/zinc/86/58/97/599865897.db2.gz QMMKVKBVODNOBP-UHFFFAOYSA-N -1 0 325.380 3.730 20 0 EHADRM O=C(C=C(C1CC1)C1CC1)NCc1c2ccccc2sc1C(=O)[O-] ZINC000739210435 599870685 /nfs/dbraw/zinc/87/06/85/599870685.db2.gz RNDDPUAVLPGOFC-UHFFFAOYSA-N -1 0 341.432 3.962 20 0 EHADRM O=C(/C=C/c1ccco1)NCc1c2ccccc2sc1C(=O)[O-] ZINC000739214960 599872720 /nfs/dbraw/zinc/87/27/20/599872720.db2.gz GTPZROGAPYPVKO-BQYQJAHWSA-N -1 0 327.361 3.522 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)c1ccc(Cl)nc1 ZINC000739436515 599873613 /nfs/dbraw/zinc/87/36/13/599873613.db2.gz PBKDMQYLLOZSFU-UHFFFAOYSA-N -1 0 346.795 3.578 20 0 EHADRM Cc1nc(C)c(F)c(NCc2c3ccccc3sc2C(=O)[O-])n1 ZINC000738847858 599874531 /nfs/dbraw/zinc/87/45/31/599874531.db2.gz QDCTZOAXEIXISV-UHFFFAOYSA-N -1 0 331.372 3.758 20 0 EHADRM Cc1ncccc1C(=O)OCc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000738368252 599877237 /nfs/dbraw/zinc/87/72/37/599877237.db2.gz CRULQMBLQHMDLQ-UHFFFAOYSA-N -1 0 345.351 3.799 20 0 EHADRM C[C@@H](OC(=O)c1csc(-c2ccoc2)n1)c1ccc(C(=O)[O-])o1 ZINC000736695986 599877374 /nfs/dbraw/zinc/87/73/74/599877374.db2.gz INFXSBHJUJPZIQ-MRVPVSSYSA-N -1 0 333.321 3.612 20 0 EHADRM C[C@H](OC(=O)c1csc(-c2ccoc2)n1)c1ccc(C(=O)[O-])o1 ZINC000736695987 599877481 /nfs/dbraw/zinc/87/74/81/599877481.db2.gz INFXSBHJUJPZIQ-QMMMGPOBSA-N -1 0 333.321 3.612 20 0 EHADRM O=C([O-])c1coc(COC(=O)C2(c3ccc(F)cc3)CCCC2)c1 ZINC000740268978 599878711 /nfs/dbraw/zinc/87/87/11/599878711.db2.gz XZHUQPHKDCTIDT-UHFFFAOYSA-N -1 0 332.327 3.672 20 0 EHADRM Cc1sc(NC(=O)N(C)CCOc2ccccc2)c(C(=O)[O-])c1C ZINC000324792442 599879327 /nfs/dbraw/zinc/87/93/27/599879327.db2.gz MDSQGJXMNLOPCK-UHFFFAOYSA-N -1 0 348.424 3.606 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)Nc2cccc(F)c2)cc1 ZINC000738199400 599880878 /nfs/dbraw/zinc/88/08/78/599880878.db2.gz AVOPFPPEBIHJOS-HNNXBMFYSA-N -1 0 348.399 3.885 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)Nc2ccccc2)cc1 ZINC000738201137 599881107 /nfs/dbraw/zinc/88/11/07/599881107.db2.gz MTKINMYXFLPKSQ-OAHLLOKOSA-N -1 0 330.409 3.746 20 0 EHADRM CCC[C@](C)(NC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000346021037 599892396 /nfs/dbraw/zinc/89/23/96/599892396.db2.gz YHQAQELHJWAYGW-ZWOKBUDYSA-N -1 0 325.408 3.703 20 0 EHADRM Cc1cc(-c2ccccc2)ccc1NC(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000738315011 599892735 /nfs/dbraw/zinc/89/27/35/599892735.db2.gz XEOMRECXLHMMON-KRWDZBQOSA-N -1 0 326.396 3.893 20 0 EHADRM CC(C)c1ccc(CCNC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000736514142 599895794 /nfs/dbraw/zinc/89/57/94/599895794.db2.gz NZCBSYWJMVFGAT-UHFFFAOYSA-N -1 0 326.396 3.872 20 0 EHADRM O=C([O-])CCCCCCNC(=O)N1CCCC[C@@H]1Cc1ccccc1 ZINC000739666782 599896648 /nfs/dbraw/zinc/89/66/48/599896648.db2.gz UYGWEUJWWKOJBG-GOSISDBHSA-N -1 0 346.471 3.828 20 0 EHADRM CC(C)Sc1ccc([C@H](C)NC(=O)[C@@H](NC(=O)[O-])C(C)C)cc1 ZINC000736498876 599898434 /nfs/dbraw/zinc/89/84/34/599898434.db2.gz CSFFGIALISRFIQ-WFASDCNBSA-N -1 0 338.473 3.657 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000237249540 599899396 /nfs/dbraw/zinc/89/93/96/599899396.db2.gz MVJHPZDQGUNMEZ-PBHICJAKSA-N -1 0 341.407 3.521 20 0 EHADRM Cc1ccc(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc1Cl ZINC000388276438 599901174 /nfs/dbraw/zinc/90/11/74/599901174.db2.gz YVZXIMOWPKDPHW-UHFFFAOYSA-N -1 0 325.698 3.877 20 0 EHADRM Cc1ccc(CN(C(=O)CCCN(C)C(=O)[O-])c2ccc(F)cc2)o1 ZINC000738593248 599904716 /nfs/dbraw/zinc/90/47/16/599904716.db2.gz VGMKSRODEPQPIU-UHFFFAOYSA-N -1 0 348.374 3.650 20 0 EHADRM O=C([O-])CCCCCNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000238148414 599908707 /nfs/dbraw/zinc/90/87/07/599908707.db2.gz SAUOYKQWVDRIFG-ZWKOTPCHSA-N -1 0 325.408 3.705 20 0 EHADRM CCc1cccc2c1OCC[C@@H]2NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000737272276 599911935 /nfs/dbraw/zinc/91/19/35/599911935.db2.gz LRZBLCCUDZFZSA-INIZCTEOSA-N -1 0 340.379 3.593 20 0 EHADRM Cc1cccc(C2(C(=O)NCc3ccc(C(=O)[O-])cc3)CCCC2)c1 ZINC000237927052 599912198 /nfs/dbraw/zinc/91/21/98/599912198.db2.gz UBDPLFYZDVUVDX-UHFFFAOYSA-N -1 0 337.419 3.821 20 0 EHADRM C[C@@H](OC(=O)CCCN(C)C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000736684885 599912388 /nfs/dbraw/zinc/91/23/88/599912388.db2.gz NNWLYMZCJFPWBX-SECBINFHSA-N -1 0 334.199 3.988 20 0 EHADRM Cc1cc(NC(=O)c2ccc(OCC3CC3)cc2)ccc1C(=O)[O-] ZINC000237835059 599914821 /nfs/dbraw/zinc/91/48/21/599914821.db2.gz NXYXWPIRGOUXTO-UHFFFAOYSA-N -1 0 325.364 3.734 20 0 EHADRM Cc1cc(NC(=O)Cc2cccc(OC(C)C)c2)ccc1C(=O)[O-] ZINC000236758976 599914849 /nfs/dbraw/zinc/91/48/49/599914849.db2.gz FMPXQEZAGOWEHD-UHFFFAOYSA-N -1 0 327.380 3.662 20 0 EHADRM Cc1cc(NC(=O)Cc2csc(C(C)(C)C)n2)ccc1C(=O)[O-] ZINC000237714660 599915315 /nfs/dbraw/zinc/91/53/15/599915315.db2.gz YCXTVJLIJOOXPC-UHFFFAOYSA-N -1 0 332.425 3.628 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000261733239 599915336 /nfs/dbraw/zinc/91/53/36/599915336.db2.gz HNUAQOSKCYEKKS-UHFFFAOYSA-N -1 0 327.380 3.618 20 0 EHADRM Cc1cc(NC(=O)c2csc(Br)c2)ccc1C(=O)[O-] ZINC000044750003 599915931 /nfs/dbraw/zinc/91/59/31/599915931.db2.gz GYZWYALHQGYJDC-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)ccc1C(=O)[O-] ZINC000237520914 599917506 /nfs/dbraw/zinc/91/75/06/599917506.db2.gz UYDBWIFWEQVXIW-LLVKDONJSA-N -1 0 333.771 3.753 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 ZINC000238072146 599922260 /nfs/dbraw/zinc/92/22/60/599922260.db2.gz ZRLPDGCOUOFEPZ-UHFFFAOYSA-N -1 0 349.839 3.839 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000237477805 599922440 /nfs/dbraw/zinc/92/24/40/599922440.db2.gz HWUAXFARGYRCRO-VIFPVBQESA-N -1 0 335.787 3.720 20 0 EHADRM C[C@H](CN(C(=O)c1cccc(Oc2ccccc2)c1)C1CC1)C(=O)[O-] ZINC000237384791 599922845 /nfs/dbraw/zinc/92/28/45/599922845.db2.gz JYGQVQPTNQJJCX-CQSZACIVSA-N -1 0 339.391 3.804 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)c2ccc(Cl)s2)c1 ZINC000238075125 599923394 /nfs/dbraw/zinc/92/33/94/599923394.db2.gz JIAYNYNAAMUKST-UHFFFAOYSA-N -1 0 341.841 3.972 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[C@H](CC)Oc1ccccc1C(C)C)C(=O)[O-] ZINC000736929548 599926663 /nfs/dbraw/zinc/92/66/63/599926663.db2.gz QTCKPKKBEBVLKT-QRTARXTBSA-N -1 0 335.444 3.583 20 0 EHADRM COc1ccsc1C(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000237118287 599927857 /nfs/dbraw/zinc/92/78/57/599927857.db2.gz FWXIKOIEFNCBPX-UHFFFAOYSA-N -1 0 327.361 3.860 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000139380566 599933951 /nfs/dbraw/zinc/93/39/51/599933951.db2.gz GVOVZHSBJHCMKA-SQNIBIBYSA-N -1 0 341.382 3.652 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)c1ccc2ncsc2c1)c1ccccc1 ZINC000324256090 599936994 /nfs/dbraw/zinc/93/69/94/599936994.db2.gz UPUDEDHFXFFCCV-AWEZNQCLSA-N -1 0 340.404 3.632 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)c1cc2c(s1)CCCC2)c1ccccc1 ZINC000324196650 599937002 /nfs/dbraw/zinc/93/70/02/599937002.db2.gz LCOSBPYYENBFLJ-HNNXBMFYSA-N -1 0 343.448 3.963 20 0 EHADRM COc1ccc(Cl)cc1C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000391828976 599937341 /nfs/dbraw/zinc/93/73/41/599937341.db2.gz FHJRDAIROWRSMC-HNNXBMFYSA-N -1 0 347.798 3.685 20 0 EHADRM Cc1ccc(S[C@@H](C(=O)NCCC(=O)[O-])c2ccccc2)c(C)c1 ZINC000262154958 599939255 /nfs/dbraw/zinc/93/92/55/599939255.db2.gz BDCVHDCHBIMPOH-GOSISDBHSA-N -1 0 343.448 3.728 20 0 EHADRM Cc1cccc(C2(C(=O)OCc3cc(C(=O)[O-])co3)CCCC2)c1 ZINC000738687125 599946572 /nfs/dbraw/zinc/94/65/72/599946572.db2.gz FLQDUJCNELPPRU-UHFFFAOYSA-N -1 0 328.364 3.841 20 0 EHADRM Cc1cc(NC(=O)c2cccnc2SC(F)F)ccc1C(=O)[O-] ZINC000738453333 599950442 /nfs/dbraw/zinc/95/04/42/599950442.db2.gz IDOSTBMQLRENMN-UHFFFAOYSA-N -1 0 338.335 3.655 20 0 EHADRM Cc1cccc2[nH]cc(CCNc3nc(Cl)c(C(=O)[O-])s3)c21 ZINC000738747351 599960126 /nfs/dbraw/zinc/96/01/26/599960126.db2.gz ISYMTEMIDCSFIZ-UHFFFAOYSA-N -1 0 335.816 3.939 20 0 EHADRM CC(C)Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000736452687 599977046 /nfs/dbraw/zinc/97/70/46/599977046.db2.gz DGCOHEGJBYVNRL-QGZVFWFLSA-N -1 0 347.361 3.719 20 0 EHADRM Cc1cc(COC(=O)c2ccccc2OCC(C)C)oc1C(=O)[O-] ZINC000738395289 599979770 /nfs/dbraw/zinc/97/97/70/599979770.db2.gz RVILYFMSMWFYII-UHFFFAOYSA-N -1 0 332.352 3.678 20 0 EHADRM Cc1c(Br)cccc1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000225483929 599980100 /nfs/dbraw/zinc/98/01/00/599980100.db2.gz IJSZPOJMYQEVBU-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM CCCc1c(C(=O)Nc2cccc3c2ccn3C)[nH]c(C)c1C(=O)[O-] ZINC000737043034 599992580 /nfs/dbraw/zinc/99/25/80/599992580.db2.gz GICOIJXFRIBMIX-UHFFFAOYSA-N -1 0 339.395 3.718 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCC[C@@H](Cc3ccccc3)C2)cc1 ZINC000738684402 599995160 /nfs/dbraw/zinc/99/51/60/599995160.db2.gz ZBZKHDLRHCENFZ-INIZCTEOSA-N -1 0 338.407 3.871 20 0 EHADRM Cc1cc(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)ccc1C(=O)[O-] ZINC000237822152 599997117 /nfs/dbraw/zinc/99/71/17/599997117.db2.gz CQNOMKQUHROXQM-KBPBESRZSA-N -1 0 331.318 3.714 20 0 EHADRM O=C([O-])c1ccc(NCc2nnc(-c3ccccc3Cl)o2)cc1 ZINC000738683983 600002890 /nfs/dbraw/zinc/00/28/90/600002890.db2.gz DSPSZUAKPMQAAY-UHFFFAOYSA-N -1 0 329.743 3.700 20 0 EHADRM Cc1cc2occ(CC(=O)N3CCC[C@@H](C(=O)[O-])C3)c2cc1C(C)C ZINC000236699274 600013722 /nfs/dbraw/zinc/01/37/22/600013722.db2.gz UYVAKTHJTYOQRR-CQSZACIVSA-N -1 0 343.423 3.730 20 0 EHADRM Cc1cc(NC(=O)N[C@@H]2CCCOc3ccccc32)ccc1C(=O)[O-] ZINC000738441267 600013977 /nfs/dbraw/zinc/01/39/77/600013977.db2.gz KTEPRFBNNAGTLT-MRXNPFEDSA-N -1 0 340.379 3.729 20 0 EHADRM Cc1cc([C@H](C)NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c(C)s1 ZINC000326097514 600016199 /nfs/dbraw/zinc/01/61/99/600016199.db2.gz CFFGMSZKFRDYHO-NSHDSACASA-N -1 0 344.436 3.850 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)NCCCC1CCCCC1)C2 ZINC000740202529 600017342 /nfs/dbraw/zinc/01/73/42/600017342.db2.gz KMMQEZXJLFSCDW-UHFFFAOYSA-N -1 0 330.428 3.771 20 0 EHADRM CCC1CCN(C(=O)Nc2cccc(CSCC(=O)[O-])c2)CC1 ZINC000736941008 600019632 /nfs/dbraw/zinc/01/96/32/600019632.db2.gz WCHLFIPPFOKAEG-UHFFFAOYSA-N -1 0 336.457 3.658 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)OCc1ncc(-c2cccs2)o1 ZINC000740054415 600020528 /nfs/dbraw/zinc/02/05/28/600020528.db2.gz XXTUKZCXSQHEHU-UHFFFAOYSA-N -1 0 344.348 3.850 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263093340 600020612 /nfs/dbraw/zinc/02/06/12/600020612.db2.gz VUXDZOICCRZXPV-UQPPLGOBSA-N -1 0 346.471 3.685 20 0 EHADRM Cc1cc(C)c(CNC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c(C)c1 ZINC000738356348 600021286 /nfs/dbraw/zinc/02/12/86/600021286.db2.gz YGFVUZOIWWMLHG-UHFFFAOYSA-N -1 0 338.407 3.535 20 0 EHADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000261695871 600028849 /nfs/dbraw/zinc/02/88/49/600028849.db2.gz JJGBZFPFBHCJFD-XIKARTHZSA-N -1 0 338.835 3.686 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Nc2ccc(OC(F)F)cc2)cc1 ZINC000238071974 600032754 /nfs/dbraw/zinc/03/27/54/600032754.db2.gz RPTBBXIFCPRVPV-UHFFFAOYSA-N -1 0 335.306 3.558 20 0 EHADRM CC(C)COc1ccc(CC(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000681681266 600034792 /nfs/dbraw/zinc/03/47/92/600034792.db2.gz JAWFDSPMPCIVJC-UHFFFAOYSA-N -1 0 327.380 3.601 20 0 EHADRM Cc1ccc(CCCNC(=O)CCc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000678990390 600035398 /nfs/dbraw/zinc/03/53/98/600035398.db2.gz KFJPOQIFYXYIDU-UHFFFAOYSA-N -1 0 339.435 3.683 20 0 EHADRM CC(C)COc1ccc(CC(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC000736446923 600035803 /nfs/dbraw/zinc/03/58/03/600035803.db2.gz YUSZWHIBAICCLW-UHFFFAOYSA-N -1 0 333.409 3.662 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N[C@H](c2ccco2)c2ccccc2)cc1 ZINC000739252870 600036590 /nfs/dbraw/zinc/03/65/90/600036590.db2.gz WDNVFQZNHIBZFV-FQEVSTJZSA-N -1 0 349.386 3.816 20 0 EHADRM COc1ccccc1C/C(C)=C\C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000738124537 600037288 /nfs/dbraw/zinc/03/72/88/600037288.db2.gz QRROCRBLEGYWEM-SEYXRHQNSA-N -1 0 339.391 3.829 20 0 EHADRM COc1ccccc1C/C(C)=C/C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000738124139 600039095 /nfs/dbraw/zinc/03/90/95/600039095.db2.gz LJEMATQYSOTXSJ-ACCUITESSA-N -1 0 340.379 3.913 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)C2 ZINC000740189599 600042353 /nfs/dbraw/zinc/04/23/53/600042353.db2.gz WCDJHNPWBBAYCM-SJORKVTESA-N -1 0 341.794 3.684 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N[C@@H](c2ccccc2)C2CCC2)cc1 ZINC000238071624 600044940 /nfs/dbraw/zinc/04/49/40/600044940.db2.gz LXMZUATVNCCKSX-FQEVSTJZSA-N -1 0 337.419 3.975 20 0 EHADRM Cc1nc(C)c([C@H](C)N(C)C(=O)c2cccc(NC(=O)[O-])c2)s1 ZINC000738845537 600057053 /nfs/dbraw/zinc/05/70/53/600057053.db2.gz SVEBIIQAIPPQQP-JTQLQIEISA-N -1 0 333.413 3.683 20 0 EHADRM CC[C@H](CC(=O)Oc1cc(OC)ccc1C(=O)[O-])c1ccccc1 ZINC000736893167 600060821 /nfs/dbraw/zinc/06/08/21/600060821.db2.gz FABSQKPDNZOFNC-CYBMUJFWSA-N -1 0 328.364 3.883 20 0 EHADRM CCCc1ccc([C@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])c2cccs2)cc1 ZINC000485648300 600063029 /nfs/dbraw/zinc/06/30/29/600063029.db2.gz PXQAHZBDZZQRMK-ZOBUZTSGSA-N -1 0 343.448 3.627 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000738118646 600066959 /nfs/dbraw/zinc/06/69/59/600066959.db2.gz BJGOEPWLVBNJBQ-JXMROGBWSA-N -1 0 347.317 3.714 20 0 EHADRM Cc1cccc(C[C@@H](CNC(=O)c2ccc(C)c(Cl)c2)C(=O)[O-])c1 ZINC000738711655 600070626 /nfs/dbraw/zinc/07/06/26/600070626.db2.gz NGMFSHPVISYFSQ-INIZCTEOSA-N -1 0 345.826 3.630 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1occc1-c1ccccc1)C2 ZINC000326933211 600071255 /nfs/dbraw/zinc/07/12/55/600071255.db2.gz KXTJEIPVWZNEIF-UHFFFAOYSA-N -1 0 333.343 3.801 20 0 EHADRM Cc1[nH]c(-c2ccccc2)nc1C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000738628459 600073198 /nfs/dbraw/zinc/07/31/98/600073198.db2.gz SKVIIGWIKHIFJY-UHFFFAOYSA-N -1 0 335.363 3.644 20 0 EHADRM Cc1cc(Nc2ccc(N(C)C(=O)[O-])cc2)nc(-c2ccccn2)n1 ZINC000738463448 600075544 /nfs/dbraw/zinc/07/55/44/600075544.db2.gz DKDATDYXEJRRCL-UHFFFAOYSA-N -1 0 335.367 3.705 20 0 EHADRM Cc1csc(Sc2ccc(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])c(C)c2)n1 ZINC000649456782 600081121 /nfs/dbraw/zinc/08/11/21/600081121.db2.gz ABDWQEKPTNRXCB-VXGBXAGGSA-N -1 0 348.449 3.570 20 0 EHADRM Cc1cccc(C2(C(=O)Nc3ccc(F)c(NC(=O)[O-])c3)CC2)c1 ZINC000738687519 600086321 /nfs/dbraw/zinc/08/63/21/600086321.db2.gz ODOVKLVRCGISQU-UHFFFAOYSA-N -1 0 328.343 3.894 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)Cc2cc3ccccc3o2)ccc1F ZINC000740006271 600086564 /nfs/dbraw/zinc/08/65/64/600086564.db2.gz UHXAVQYLWMIIOH-UHFFFAOYSA-N -1 0 328.299 3.843 20 0 EHADRM Cc1cc(C)c(C(=O)COC(=O)c2cccc(C(=O)[O-])c2)c(C)c1C ZINC000738352814 600087560 /nfs/dbraw/zinc/08/75/60/600087560.db2.gz VVRBNWXHEQFNSY-UHFFFAOYSA-N -1 0 340.375 3.658 20 0 EHADRM CCc1cccc2c(CC(=O)Oc3ccc(C)cc3C(=O)[O-])c[nH]c21 ZINC000737269889 600100695 /nfs/dbraw/zinc/10/06/95/600100695.db2.gz JLOQWJGQQPPXIC-UHFFFAOYSA-N -1 0 337.375 3.885 20 0 EHADRM Cc1cccc(OCCCC(=O)OCc2ccc(F)cc2C(=O)[O-])c1 ZINC000738737858 600110962 /nfs/dbraw/zinc/11/09/62/600110962.db2.gz OGZPRWYYFNBAJB-UHFFFAOYSA-N -1 0 346.354 3.735 20 0 EHADRM COc1ccc(Cl)c(NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000392590762 600113368 /nfs/dbraw/zinc/11/33/68/600113368.db2.gz RYTKDKFSAKHAHW-UHFFFAOYSA-N -1 0 346.770 3.595 20 0 EHADRM CC(C)(C)c1ccc(CCCC(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000236582120 600113871 /nfs/dbraw/zinc/11/38/71/600113871.db2.gz XGOINOPYZFFJOM-QGZVFWFLSA-N -1 0 331.456 3.773 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)c1cnc(Cl)c(Cl)c1 ZINC000740290292 600114331 /nfs/dbraw/zinc/11/43/31/600114331.db2.gz KLRKBYKYTZSDEI-UHFFFAOYSA-N -1 0 344.125 3.583 20 0 EHADRM COc1cccc([C@H]2C[C@H]2c2nc(-c3ccc(C(=O)[O-])cc3)no2)c1 ZINC000738096002 600114816 /nfs/dbraw/zinc/11/48/16/600114816.db2.gz LMSMCYKXRGEQBB-HZPDHXFCSA-N -1 0 336.347 3.715 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)c1cc2c(cccc2F)[nH]1 ZINC000740291195 600115196 /nfs/dbraw/zinc/11/51/96/600115196.db2.gz RSDPWTBZKMMWRO-UHFFFAOYSA-N -1 0 331.274 3.501 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N[C@H]2CCc3ccc(F)cc32)ccc1F ZINC000740004456 600115495 /nfs/dbraw/zinc/11/54/95/600115495.db2.gz BWLQUFVFLDBVQC-AWEZNQCLSA-N -1 0 347.321 3.864 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000738122409 600117587 /nfs/dbraw/zinc/11/75/87/600117587.db2.gz ZNJRWFNUXORTBE-GFCCVEGCSA-N -1 0 346.354 3.770 20 0 EHADRM Cc1[nH]c(C(=O)[C@@H](C)OC(=O)CCCC(C)(C)C)c(C)c1C(=O)[O-] ZINC000738238753 600119306 /nfs/dbraw/zinc/11/93/06/600119306.db2.gz YTSNXQFINJNOMU-GFCCVEGCSA-N -1 0 337.416 3.661 20 0 EHADRM C[C@H](OC(=O)c1cnc(-c2ccco2)s1)c1ccc(C(=O)[O-])o1 ZINC000736696345 600119380 /nfs/dbraw/zinc/11/93/80/600119380.db2.gz LBQAYEBBOKVFTF-QMMMGPOBSA-N -1 0 333.321 3.612 20 0 EHADRM CO[C@](C)(C(=O)O[C@@H](C)c1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000737724066 600122373 /nfs/dbraw/zinc/12/23/73/600122373.db2.gz SXSOXXYNWXBVDS-DJJJIMSYSA-N -1 0 328.364 3.551 20 0 EHADRM CC[C@](NC(=O)[C@@H]1CCCc2ccccc21)(C(=O)[O-])c1ccccc1 ZINC000485384619 600128934 /nfs/dbraw/zinc/12/89/34/600128934.db2.gz PGJRICPKGFWSBK-WIYYLYMNSA-N -1 0 337.419 3.613 20 0 EHADRM Cc1ccc(OC(=O)/C=C\c2nc3ccccc3s2)c(C(=O)[O-])c1 ZINC000738638406 600133793 /nfs/dbraw/zinc/13/37/93/600133793.db2.gz GRDRYCSTFWEMNO-HJWRWDBZSA-N -1 0 339.372 3.922 20 0 EHADRM Cc1ccc(OC(=O)CCC(=O)c2ccc(Cl)cc2)c(C(=O)[O-])c1 ZINC000738639268 600133863 /nfs/dbraw/zinc/13/38/63/600133863.db2.gz IUXOKJBEUNGVBG-UHFFFAOYSA-N -1 0 346.766 3.915 20 0 EHADRM O=C([O-])c1ccoc1CN[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000740251585 600148908 /nfs/dbraw/zinc/14/89/08/600148908.db2.gz HYPRGJLULMUXFB-SFHVURJKSA-N -1 0 325.339 3.996 20 0 EHADRM CC(C)c1cccc(O[C@@H](C(=O)NCCC(=O)[O-])c2ccccc2)c1 ZINC000262262388 600150590 /nfs/dbraw/zinc/15/05/90/600150590.db2.gz SMWNTNJIDJHLJL-LJQANCHMSA-N -1 0 341.407 3.521 20 0 EHADRM CC(C)c1sc(NC(=O)C(C)(C)NC(=O)[O-])nc1-c1ccccc1 ZINC000736530264 600154861 /nfs/dbraw/zinc/15/48/61/600154861.db2.gz CYGOXLOTCDKTKQ-UHFFFAOYSA-N -1 0 347.440 3.918 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)CCc2ccccc2Cl)C(=O)[O-])cc1 ZINC000486397247 600157353 /nfs/dbraw/zinc/15/73/53/600157353.db2.gz RFMJLHZZPCMIRP-MRXNPFEDSA-N -1 0 345.826 3.566 20 0 EHADRM CCCc1cc(C(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)sc1C ZINC000486374563 600162650 /nfs/dbraw/zinc/16/26/50/600162650.db2.gz BDUXYXPPRHEORA-MRXNPFEDSA-N -1 0 345.464 3.916 20 0 EHADRM Cc1ccc([C@H](CNC(=O)c2ccc(C(C)(C)C)cc2)C(=O)[O-])cc1 ZINC000486374682 600164432 /nfs/dbraw/zinc/16/44/32/600164432.db2.gz CDJUBFAIMRSUBA-SFHVURJKSA-N -1 0 339.435 3.891 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cc(F)c(Cl)nc2Cl)cc1 ZINC000740134298 600164959 /nfs/dbraw/zinc/16/49/59/600164959.db2.gz SESUIXKMHKOTEQ-UHFFFAOYSA-N -1 0 344.125 3.583 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)Nc2ccc(OCC(=O)[O-])cc2)c1C ZINC000738692208 600180373 /nfs/dbraw/zinc/18/03/73/600180373.db2.gz QIVIKCQPOIBOKS-CQSZACIVSA-N -1 0 342.395 3.650 20 0 EHADRM CCN(C(=O)Nc1cc(C(=O)[O-])c(F)cc1F)[C@@H](C)c1cccnc1 ZINC000737059349 600180726 /nfs/dbraw/zinc/18/07/26/600180726.db2.gz ACCWIXSYGKHZNW-JTQLQIEISA-N -1 0 349.337 3.673 20 0 EHADRM Cc1c(CNC(=O)Nc2ccc(C(=O)[O-])cc2F)oc2ccccc12 ZINC000738288941 600183695 /nfs/dbraw/zinc/18/36/95/600183695.db2.gz LVKYFHJJETUECT-UHFFFAOYSA-N -1 0 342.326 3.900 20 0 EHADRM O=C([O-])CCCc1nc(COc2ccc(Cl)c3ccccc23)no1 ZINC000739702378 600183810 /nfs/dbraw/zinc/18/38/10/600183810.db2.gz OEVPNTIONJLKET-UHFFFAOYSA-N -1 0 346.770 3.863 20 0 EHADRM CC(C)(CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000236796638 600187551 /nfs/dbraw/zinc/18/75/51/600187551.db2.gz ARCCGRNIKZEJMV-UHFFFAOYSA-N -1 0 342.351 3.599 20 0 EHADRM CCc1ccc(NC(=S)N2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000737266092 600188911 /nfs/dbraw/zinc/18/89/11/600188911.db2.gz HXGRPCKXRIAKIO-OAHLLOKOSA-N -1 0 326.421 3.634 20 0 EHADRM Cc1nc(NC(=O)[C@@H](C)CSc2ccccc2)sc1C(=O)[O-] ZINC000738361736 600191438 /nfs/dbraw/zinc/19/14/38/600191438.db2.gz GESJYGRZZNGCGD-VIFPVBQESA-N -1 0 336.438 3.517 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(-n3cccc3)c(F)c2)s1 ZINC000739468413 600192086 /nfs/dbraw/zinc/19/20/86/600192086.db2.gz LFVFEYHLAKYAAS-UHFFFAOYSA-N -1 0 330.340 3.628 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000247208362 600194240 /nfs/dbraw/zinc/19/42/40/600194240.db2.gz VOFCPXUVWCQRAL-OLMNPRSZSA-N -1 0 338.407 3.540 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N(C)[C@H](C(=O)[O-])c3ccccc3)cc2c1C ZINC000738664709 600196217 /nfs/dbraw/zinc/19/62/17/600196217.db2.gz MCVWMKVIAMNQMJ-SFHVURJKSA-N -1 0 336.391 3.683 20 0 EHADRM CN(C(=O)c1cc2cc(Cl)ccc2[nH]1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737332771 600196594 /nfs/dbraw/zinc/19/65/94/600196594.db2.gz BYZMMRLGTASPJP-INIZCTEOSA-N -1 0 342.782 3.719 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000262586634 600207522 /nfs/dbraw/zinc/20/75/22/600207522.db2.gz GSXPGSMEAMSICC-KBXCAEBGSA-N -1 0 343.398 3.960 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)c(F)c1 ZINC000479403607 600207925 /nfs/dbraw/zinc/20/79/25/600207925.db2.gz BKMPUTZLIGETIF-ZJUUUORDSA-N -1 0 335.281 3.544 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000740066317 600208445 /nfs/dbraw/zinc/20/84/45/600208445.db2.gz RBPXODMTHPMEFN-IUCAKERBSA-N -1 0 335.281 3.544 20 0 EHADRM Cc1cccc(COc2cccc(NC(=O)CCCNC(=O)[O-])c2)c1 ZINC000738717437 600209803 /nfs/dbraw/zinc/20/98/03/600209803.db2.gz JPNUGPYLEUDPGF-UHFFFAOYSA-N -1 0 342.395 3.560 20 0 EHADRM Cc1cccc(COc2cccc(NC(=O)C(C)(C)NC(=O)[O-])c2)c1 ZINC000738718084 600209856 /nfs/dbraw/zinc/20/98/56/600209856.db2.gz WBLSXZMKMHTLED-UHFFFAOYSA-N -1 0 342.395 3.559 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CC2CCCCC2)c(OC(F)F)c1 ZINC000621564546 600211485 /nfs/dbraw/zinc/21/14/85/600211485.db2.gz MZELLKITAKQGLP-UHFFFAOYSA-N -1 0 327.327 3.895 20 0 EHADRM CCc1ccsc1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000737275361 600213027 /nfs/dbraw/zinc/21/30/27/600213027.db2.gz SSGJIBUEGRIVDS-UHFFFAOYSA-N -1 0 341.335 3.862 20 0 EHADRM CN(Cc1coc(-c2cccc(F)c2)n1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737496296 600216192 /nfs/dbraw/zinc/21/61/92/600216192.db2.gz DZUFTOLPWBVGED-KRWDZBQOSA-N -1 0 340.354 3.738 20 0 EHADRM CCCOc1ccccc1NC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000737035191 600225086 /nfs/dbraw/zinc/22/50/86/600225086.db2.gz YYHHZFMYGBMJTH-UHFFFAOYSA-N -1 0 344.367 3.583 20 0 EHADRM CC(=O)Nc1cc(NC(=O)Nc2cccc(NC(=O)[O-])c2)ccc1F ZINC000736158870 600225832 /nfs/dbraw/zinc/22/58/32/600225832.db2.gz ZPBLSZDVRDWTKU-UHFFFAOYSA-N -1 0 346.318 3.518 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)Nc2ccc3c(c2)OCCCO3)c1 ZINC000740040026 600225940 /nfs/dbraw/zinc/22/59/40/600225940.db2.gz CWUPJGBDQHBBTL-UHFFFAOYSA-N -1 0 343.339 3.582 20 0 EHADRM Cc1ccc2oc(SCC(=O)Nc3cccc(C(=O)[O-])c3)nc2c1 ZINC000738681104 600248014 /nfs/dbraw/zinc/24/80/14/600248014.db2.gz ROBSTQNQCKNZSY-UHFFFAOYSA-N -1 0 342.376 3.565 20 0 EHADRM C[C@@H](Cc1nc(-c2ccc(C(=O)[O-])cc2)no1)c1cccc(F)c1 ZINC000736628398 600248008 /nfs/dbraw/zinc/24/80/08/600248008.db2.gz CRTNPFUNACWHHC-NSHDSACASA-N -1 0 326.327 3.920 20 0 EHADRM O=C([O-])c1ccc(-c2noc([C@@H]3C[C@@H]3c3c(F)cccc3F)n2)cc1 ZINC000740101665 600248473 /nfs/dbraw/zinc/24/84/73/600248473.db2.gz QQPPPWDYKBEZAE-NWDGAFQWSA-N -1 0 342.301 3.984 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000237516901 600253239 /nfs/dbraw/zinc/25/32/39/600253239.db2.gz YBTJXUVDVUZYSO-GFCCVEGCSA-N -1 0 331.799 3.741 20 0 EHADRM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cccc(C(=O)[O-])c1 ZINC000237573372 600253449 /nfs/dbraw/zinc/25/34/49/600253449.db2.gz HPICNUMXBBJSPF-LRDDRELGSA-N -1 0 327.355 3.542 20 0 EHADRM O=C([O-])CCSCCNC(=O)c1ccc(C2CCCCC2)cc1 ZINC000739752119 600254877 /nfs/dbraw/zinc/25/48/77/600254877.db2.gz OKFOYMIOHLXSSX-UHFFFAOYSA-N -1 0 335.469 3.672 20 0 EHADRM Cc1cc(NC(=O)CCCCOc2cccc(C)c2)c(C(=O)[O-])[nH]1 ZINC000738737833 600256144 /nfs/dbraw/zinc/25/61/44/600256144.db2.gz NNADBXJUROSVAP-UHFFFAOYSA-N -1 0 330.384 3.518 20 0 EHADRM Cc1cc(COC(=O)c2cc3c(ccc(C)c3C)[nH]2)oc1C(=O)[O-] ZINC000738393752 600268055 /nfs/dbraw/zinc/26/80/55/600268055.db2.gz YESNYLMKWHRSTL-UHFFFAOYSA-N -1 0 327.336 3.741 20 0 EHADRM O=C([O-])c1cccc(C(=O)OCCCc2cccc3ccccc32)n1 ZINC000740221388 600269927 /nfs/dbraw/zinc/26/99/27/600269927.db2.gz QCMQTYLMVHHQCM-UHFFFAOYSA-N -1 0 335.359 3.723 20 0 EHADRM Cc1ccc2nc(CSc3nc4ccc(C(=O)[O-])cc4o3)cn2c1 ZINC000738676974 600277202 /nfs/dbraw/zinc/27/72/02/600277202.db2.gz JJFGZKKHSPATQU-UHFFFAOYSA-N -1 0 339.376 3.774 20 0 EHADRM Cc1ccc(NC(=S)Nc2ccc(CN(C)C(=O)[O-])cc2)cc1 ZINC000738627698 600279834 /nfs/dbraw/zinc/27/98/34/600279834.db2.gz JVKJOLJMKWFDKB-UHFFFAOYSA-N -1 0 329.425 3.914 20 0 EHADRM CN(Cc1ccc(NC(=O)c2ccc3ncsc3c2)cc1)C(=O)[O-] ZINC000737485544 600281884 /nfs/dbraw/zinc/28/18/84/600281884.db2.gz SYHSOFSOPFQCSK-UHFFFAOYSA-N -1 0 341.392 3.658 20 0 EHADRM Cc1cccc(CCC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)c1 ZINC000738708489 600283815 /nfs/dbraw/zinc/28/38/15/600283815.db2.gz VVALKBVKKOGJPJ-UHFFFAOYSA-N -1 0 326.396 3.676 20 0 EHADRM CN(Cc1ccc(NC(=O)c2cccc3cccnc32)cc1)C(=O)[O-] ZINC000737485456 600283848 /nfs/dbraw/zinc/28/38/48/600283848.db2.gz OVBOSBPPRKNZDV-UHFFFAOYSA-N -1 0 335.363 3.597 20 0 EHADRM O=C([O-])CC1CCN(Cc2ccc(Cl)cc2Br)CC1 ZINC000126832567 600284086 /nfs/dbraw/zinc/28/40/86/600284086.db2.gz AMHUMBQLPMQNTC-UHFFFAOYSA-N -1 0 346.652 3.789 20 0 EHADRM C[C@@H](c1cccnc1)N(C)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000736726775 600286393 /nfs/dbraw/zinc/28/63/93/600286393.db2.gz XILHFUPZBZOYDM-JTQLQIEISA-N -1 0 333.775 3.658 20 0 EHADRM CN(Cc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC000737479745 600288208 /nfs/dbraw/zinc/28/82/08/600288208.db2.gz ZBWJPHUDVIWBAE-UHFFFAOYSA-N -1 0 332.787 3.631 20 0 EHADRM C[C@@H](c1ccccn1)N(C)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000736724066 600289368 /nfs/dbraw/zinc/28/93/68/600289368.db2.gz KCIPOFUULGTGIM-JTQLQIEISA-N -1 0 333.775 3.658 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)NCCCOC2CCCC2)c1 ZINC000739416918 600290371 /nfs/dbraw/zinc/29/03/71/600290371.db2.gz OKBWFIXGUPOCRV-UHFFFAOYSA-N -1 0 340.807 3.509 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736928504 600293751 /nfs/dbraw/zinc/29/37/51/600293751.db2.gz KLHMPKQWJRHHHX-INIZCTEOSA-N -1 0 344.436 3.964 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)c2c[nH]c3cc(Cl)ccc23)cc1 ZINC000739992207 600307257 /nfs/dbraw/zinc/30/72/57/600307257.db2.gz PHKJJDGBWSTJNR-UHFFFAOYSA-N -1 0 343.770 3.841 20 0 EHADRM C[C@@H](Nc1ccc(CNC(=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1 ZINC000736671321 600327733 /nfs/dbraw/zinc/32/77/33/600327733.db2.gz KSJIGXYFVZWOII-LLVKDONJSA-N -1 0 347.802 3.547 20 0 EHADRM Cc1cc(C)cc(NC(=O)[C@H](C)Nc2ccc(CNC(=O)[O-])cc2)c1 ZINC000738365195 600328210 /nfs/dbraw/zinc/32/82/10/600328210.db2.gz XQMGIJHFAYNTDZ-AWEZNQCLSA-N -1 0 341.411 3.510 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2ccc(CNC(=O)[O-])cc2)c(O)c1 ZINC000736511748 600331672 /nfs/dbraw/zinc/33/16/72/600331672.db2.gz CKAFLSKEZGAZLB-UHFFFAOYSA-N -1 0 328.368 3.536 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)Nc2ccc(F)cc2Cl)cc1 ZINC000739991648 600334946 /nfs/dbraw/zinc/33/49/46/600334946.db2.gz LBWXFJJBKLMZBY-UHFFFAOYSA-N -1 0 337.738 3.891 20 0 EHADRM CC[C@H]1c2ccsc2CCN1C(=O)/C=C\c1ccc(C(=O)[O-])cc1 ZINC000736948378 600337044 /nfs/dbraw/zinc/33/70/44/600337044.db2.gz FRDOHFPYKLDJRZ-SBSDFTTDSA-N -1 0 341.432 3.996 20 0 EHADRM CCOc1ccc(NC(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1F ZINC000737204410 600338327 /nfs/dbraw/zinc/33/83/27/600338327.db2.gz WCIQODBNIXZDPG-UHFFFAOYSA-N -1 0 347.346 3.636 20 0 EHADRM C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)[C@@H](C)C1 ZINC000736768455 600341179 /nfs/dbraw/zinc/34/11/79/600341179.db2.gz JUNOLJJNISGFPS-DVOMOZLQSA-N -1 0 333.432 3.743 20 0 EHADRM CC1CCC(N(C)C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)CC1 ZINC000736760422 600342472 /nfs/dbraw/zinc/34/24/72/600342472.db2.gz BQSFKKHINHKNEK-UHFFFAOYSA-N -1 0 333.432 3.839 20 0 EHADRM C[C@@H]1CCCC[C@H]1CNC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736781540 600342778 /nfs/dbraw/zinc/34/27/78/600342778.db2.gz PUVLUWDSLUNNPW-HIFRSBDPSA-N -1 0 333.432 3.744 20 0 EHADRM CSc1ccc(CSCc2noc(CCCC(=O)[O-])n2)cc1 ZINC000738211895 600350496 /nfs/dbraw/zinc/35/04/96/600350496.db2.gz MAQMIYNVVXVBBZ-UHFFFAOYSA-N -1 0 338.454 3.632 20 0 EHADRM O=C([O-])CCCc1nc(CSCc2c(F)cccc2Cl)no1 ZINC000739701811 600351012 /nfs/dbraw/zinc/35/10/12/600351012.db2.gz GUBYGUGUACHDOY-UHFFFAOYSA-N -1 0 344.795 3.703 20 0 EHADRM O=C([O-])CCc1nc(CSCc2ccccc2C(F)(F)F)no1 ZINC000739772537 600351356 /nfs/dbraw/zinc/35/13/56/600351356.db2.gz RRNURWNPUIWKRP-UHFFFAOYSA-N -1 0 346.330 3.539 20 0 EHADRM CCN(CC)[C@@H](C(=O)OCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000737086485 600368512 /nfs/dbraw/zinc/36/85/12/600368512.db2.gz ZDHZRECTDGUBOL-GOSISDBHSA-N -1 0 341.407 3.511 20 0 EHADRM Cc1cc(COC(=O)[C@@H](C)CSc2ccccc2)oc1C(=O)[O-] ZINC000738392117 600371673 /nfs/dbraw/zinc/37/16/73/600371673.db2.gz INLHNYBUTYELGR-LBPRGKRZSA-N -1 0 334.393 3.758 20 0 EHADRM CCC[C@](C)(NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000236809038 600374716 /nfs/dbraw/zinc/37/47/16/600374716.db2.gz JOQLWJWAPRFPNY-BZNIZROVSA-N -1 0 345.361 3.959 20 0 EHADRM C[C@@H]1CCC[C@H](Sc2nc3ccccc3c(=O)n2CCC(=O)[O-])C1 ZINC000736777443 600377935 /nfs/dbraw/zinc/37/79/35/600377935.db2.gz CJYQFHYNNWVDPP-OLZOCXBDSA-N -1 0 346.452 3.542 20 0 EHADRM Cc1cc(COc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c2ccccc2n1 ZINC000393016130 600378672 /nfs/dbraw/zinc/37/86/72/600378672.db2.gz YODQULFWEONFEU-UHFFFAOYSA-N -1 0 338.319 3.729 20 0 EHADRM C[C@@H](SC[C@@H](C)C(=O)[O-])c1nnc(-c2cccc(Cl)c2)o1 ZINC000736617561 600379655 /nfs/dbraw/zinc/37/96/55/600379655.db2.gz OMZSGVNXSNXOTB-RKDXNWHRSA-N -1 0 326.805 3.905 20 0 EHADRM CCOc1ccccc1C(=O)N(c1ccccc1)[C@H](CC)C(=O)[O-] ZINC000737213234 600379669 /nfs/dbraw/zinc/37/96/69/600379669.db2.gz ORSLXTMHIJWSRN-MRXNPFEDSA-N -1 0 327.380 3.595 20 0 EHADRM CCc1nc([C@@H](C)NC(=O)Nc2cccc(C(=O)[O-])c2C)cs1 ZINC000737276685 600380182 /nfs/dbraw/zinc/38/01/82/600380182.db2.gz NBFAILWPQUGGMK-SNVBAGLBSA-N -1 0 333.413 3.595 20 0 EHADRM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NC(C)(C)CCC(=O)[O-] ZINC000237664538 600380978 /nfs/dbraw/zinc/38/09/78/600380978.db2.gz HIISFHVHHXUXCH-VIFPVBQESA-N -1 0 348.226 3.520 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)c1 ZINC000740028860 600381153 /nfs/dbraw/zinc/38/11/53/600381153.db2.gz JEFQPZLUVBWQAQ-YJBOKZPZSA-N -1 0 338.407 3.918 20 0 EHADRM Cc1cc(OCCCC(=O)NC(C)(C)CCC(=O)[O-])ccc1Cl ZINC000237778462 600381187 /nfs/dbraw/zinc/38/11/87/600381187.db2.gz FEYOTNIAFWEFII-UHFFFAOYSA-N -1 0 341.835 3.567 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000236585296 600381705 /nfs/dbraw/zinc/38/17/05/600381705.db2.gz KMYSXXVIHXYEHF-UHFFFAOYSA-N -1 0 343.448 3.887 20 0 EHADRM O=C([O-])c1cc(NC(=O)NCC2(c3ccc(F)cc3)CC2)ccc1F ZINC000739407737 600382606 /nfs/dbraw/zinc/38/26/06/600382606.db2.gz UFJBFVVYWJLZCF-UHFFFAOYSA-N -1 0 346.333 3.516 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)c2cc3cc(F)ccc3o2)cc1 ZINC000737334971 600382777 /nfs/dbraw/zinc/38/27/77/600382777.db2.gz ABMNRTVAYIZJJC-UHFFFAOYSA-N -1 0 328.299 3.938 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)C=Cc2ccnc3ccccc23)c1 ZINC000740042914 600382859 /nfs/dbraw/zinc/38/28/59/600382859.db2.gz MNAHSKYTUKHHLC-HJWRWDBZSA-N -1 0 333.347 3.977 20 0 EHADRM CC[C@@](NC(=O)c1cc2cc(F)ccc2o1)(C(=O)[O-])c1ccccc1 ZINC000574892804 600383636 /nfs/dbraw/zinc/38/36/36/600383636.db2.gz WVZGNBOCIUKJFN-IBGZPJMESA-N -1 0 341.338 3.692 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000262645569 600385083 /nfs/dbraw/zinc/38/50/83/600385083.db2.gz QXZPPXIXKSACRD-UHFFFAOYSA-N -1 0 343.210 3.848 20 0 EHADRM C[C@H](c1ccccc1F)N(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000324713532 600385922 /nfs/dbraw/zinc/38/59/22/600385922.db2.gz DWDIKAGBICVIRH-SNVBAGLBSA-N -1 0 334.322 3.888 20 0 EHADRM O=C([O-])c1cc(NC(=O)NC2CC(c3ccccc3)C2)ccc1F ZINC000739473806 600387077 /nfs/dbraw/zinc/38/70/77/600387077.db2.gz SRZUUFZCEVANLX-UHFFFAOYSA-N -1 0 328.343 3.592 20 0 EHADRM CCOc1ccccc1[C@H](C)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000737212699 600387626 /nfs/dbraw/zinc/38/76/26/600387626.db2.gz IDWLEAAKSOQSHX-NSHDSACASA-N -1 0 346.358 3.805 20 0 EHADRM CC(C)CO[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000532004724 600391497 /nfs/dbraw/zinc/39/14/97/600391497.db2.gz LTJJJDDNFHYSAW-YOEHRIQHSA-N -1 0 349.471 3.677 20 0 EHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)C[C@H]2C=CCC2)cc1 ZINC000236604455 600392256 /nfs/dbraw/zinc/39/22/56/600392256.db2.gz WEYGDWOIVNWKPD-WMLDXEAASA-N -1 0 329.440 3.972 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCCCCc2ccccc2)c(F)c1 ZINC000739415577 600400271 /nfs/dbraw/zinc/40/02/71/600400271.db2.gz LMRADBICADKBKR-UHFFFAOYSA-N -1 0 330.359 3.668 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)c1nc(C)cs1 ZINC000736914316 600401823 /nfs/dbraw/zinc/40/18/23/600401823.db2.gz PERPVXDLZZRSRJ-NSHDSACASA-N -1 0 337.376 3.562 20 0 EHADRM C[C@@H](CC1CCCC1)C(=O)N(CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000431999052 600408914 /nfs/dbraw/zinc/40/89/14/600408914.db2.gz BTWIRRFBCVTBHQ-LBPRGKRZSA-N -1 0 339.382 3.594 20 0 EHADRM Cc1[nH]c(C(=O)NC(C)(C)c2cccc(Cl)c2)c(C)c1C(=O)[O-] ZINC000738157368 600410064 /nfs/dbraw/zinc/41/00/64/600410064.db2.gz YHBJUNIZWJXFKR-UHFFFAOYSA-N -1 0 334.803 3.648 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1cc2c(cccc2Cl)s1 ZINC000676212222 600415751 /nfs/dbraw/zinc/41/57/51/600415751.db2.gz DWUMHBMWPHRPPA-UHFFFAOYSA-N -1 0 325.817 3.928 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000236838873 600418394 /nfs/dbraw/zinc/41/83/94/600418394.db2.gz GIDKMAWKAULUGZ-QWRGUYRKSA-N -1 0 344.238 3.857 20 0 EHADRM O=C([O-])[C@@H](NCc1coc(-c2cccs2)n1)c1cccc(Cl)c1 ZINC000739506167 600420406 /nfs/dbraw/zinc/42/04/06/600420406.db2.gz UWWNBLVEWCDHCV-AWEZNQCLSA-N -1 0 348.811 3.972 20 0 EHADRM CC(=O)Nc1cc(N[C@H](C(=O)[O-])c2cccc(Cl)c2)ccc1F ZINC000736161398 600420425 /nfs/dbraw/zinc/42/04/25/600420425.db2.gz OXKTYPAJLFYWKZ-HNNXBMFYSA-N -1 0 336.750 3.675 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000237402393 600427340 /nfs/dbraw/zinc/42/73/40/600427340.db2.gz PILFHYWLPBANJJ-IAGOWNOFSA-N -1 0 339.435 3.615 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)Cc2coc3ccc4ccccc4c23)c1 ZINC000739352270 600434309 /nfs/dbraw/zinc/43/43/09/600434309.db2.gz VJPASCNNBNUBIJ-UHFFFAOYSA-N -1 0 346.342 3.860 20 0 EHADRM Cc1ccc(N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1OC(F)F ZINC000738629114 600439217 /nfs/dbraw/zinc/43/92/17/600439217.db2.gz ZEXXYKAWYHSKOT-CQSZACIVSA-N -1 0 325.286 3.973 20 0 EHADRM O=C([O-])c1cc(OCc2ncc(-c3ccccc3)o2)ccc1[N+](=O)[O-] ZINC000327988022 600441834 /nfs/dbraw/zinc/44/18/34/600441834.db2.gz CDFNOVMEFNWPLU-UHFFFAOYSA-N -1 0 340.291 3.527 20 0 EHADRM Cc1ccc(OCCCC(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000738642937 600442185 /nfs/dbraw/zinc/44/21/85/600442185.db2.gz HDZJAQIWAPGYCT-SFHVURJKSA-N -1 0 346.354 3.662 20 0 EHADRM CCc1ccc(CCC(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000737260254 600444942 /nfs/dbraw/zinc/44/49/42/600444942.db2.gz HOLMMWCTNIANAV-SFHVURJKSA-N -1 0 330.355 3.690 20 0 EHADRM O=C([O-])[C@@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1 ZINC000739512922 600445965 /nfs/dbraw/zinc/44/59/65/600445965.db2.gz QSNNUJQYFVJVRM-RTLPCREESA-N -1 0 332.371 3.711 20 0 EHADRM Cc1nc2ccccc2cc1C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738874928 600446367 /nfs/dbraw/zinc/44/63/67/600446367.db2.gz LPQBRLNMUXBWEW-KRWDZBQOSA-N -1 0 339.322 3.665 20 0 EHADRM CCCc1nc(C)c(C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)s1 ZINC000737049797 600450800 /nfs/dbraw/zinc/45/08/00/600450800.db2.gz DMDOFVBPFPHFLM-ZDUSSCGKSA-N -1 0 337.372 3.526 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)NCc2coc3ccccc23)cc1 ZINC000737336732 600455569 /nfs/dbraw/zinc/45/55/69/600455569.db2.gz QXONZSRSZCPBQG-UHFFFAOYSA-N -1 0 339.351 3.869 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1csc(-c2ccoc2)n1)c1ccc(F)cc1 ZINC000740289642 600455872 /nfs/dbraw/zinc/45/58/72/600455872.db2.gz FZYQUZRKZFYURB-CYBMUJFWSA-N -1 0 347.323 3.525 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cnc(-c2ccco2)s1)c1ccc(F)cc1 ZINC000740288524 600455895 /nfs/dbraw/zinc/45/58/95/600455895.db2.gz BNVSAQDYRQOLDP-ZDUSSCGKSA-N -1 0 347.323 3.525 20 0 EHADRM C[C@@H](CN(C)C(=O)c1ccc(Oc2ccc(F)cc2F)cc1)C(=O)[O-] ZINC000237413505 600465468 /nfs/dbraw/zinc/46/54/68/600465468.db2.gz IFVFPYOCYPTRSI-NSHDSACASA-N -1 0 349.333 3.550 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736625880 600467579 /nfs/dbraw/zinc/46/75/79/600467579.db2.gz IYIURSBDZICYHG-BZNIZROVSA-N -1 0 334.318 3.513 20 0 EHADRM CC(C)[C@@H](OC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000736622667 600468562 /nfs/dbraw/zinc/46/85/62/600468562.db2.gz UIYRXJNGQJFIRC-ZWNOBZJWSA-N -1 0 332.318 3.536 20 0 EHADRM Cc1ccc(NC(=O)NCCc2ccc(NC(=O)[O-])cc2)cc1C ZINC000738626923 600472545 /nfs/dbraw/zinc/47/25/45/600472545.db2.gz BJMNFXGXLVIFKW-UHFFFAOYSA-N -1 0 327.384 3.758 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2ccc(Cl)nc2)cc1Cl ZINC000740160639 600474151 /nfs/dbraw/zinc/47/41/51/600474151.db2.gz FPAODBUGNXTYCB-UHFFFAOYSA-N -1 0 342.207 3.896 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)[C@@H]1CSc2ccccc21)c1ccccc1 ZINC000173955409 600475419 /nfs/dbraw/zinc/47/54/19/600475419.db2.gz JCYGPGKQXDYSIA-HZPDHXFCSA-N -1 0 341.432 3.598 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)[C@H]1CSc2ccccc21)c1ccccc1 ZINC000173955437 600475525 /nfs/dbraw/zinc/47/55/25/600475525.db2.gz JCYGPGKQXDYSIA-JKSUJKDBSA-N -1 0 341.432 3.598 20 0 EHADRM CC[C@@H](c1ccncc1)N(C)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000736928814 600475649 /nfs/dbraw/zinc/47/56/49/600475649.db2.gz GLLANLNEVJUKFT-HNNXBMFYSA-N -1 0 349.337 3.673 20 0 EHADRM CC(C)(CCCc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000262208202 600475884 /nfs/dbraw/zinc/47/58/84/600475884.db2.gz XNGIXASLEHDERW-UHFFFAOYSA-N -1 0 329.396 3.643 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)[C@@H]2CSc3ccccc32)ccc1F ZINC000740005252 600476370 /nfs/dbraw/zinc/47/63/70/600476370.db2.gz FMNKVSZPOFHAIE-LLVKDONJSA-N -1 0 332.356 3.744 20 0 EHADRM Cc1ncc(/C=C\C(=O)Oc2cc3ccccc3cc2C(=O)[O-])s1 ZINC000738883290 600477095 /nfs/dbraw/zinc/47/70/95/600477095.db2.gz JOTSKXBZDCGKRE-SREVYHEPSA-N -1 0 339.372 3.922 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000736904405 600479176 /nfs/dbraw/zinc/47/91/76/600479176.db2.gz VAKOOUWADSANDU-HKUYNNGSSA-N -1 0 339.435 3.978 20 0 EHADRM CCOc1ccc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)cc1 ZINC000263189164 600481050 /nfs/dbraw/zinc/48/10/50/600481050.db2.gz XREWJPIVASPVKJ-UHFFFAOYSA-N -1 0 343.379 3.581 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)Nc2ccc(C(=O)[O-])cc2F)s1 ZINC000321883659 600481676 /nfs/dbraw/zinc/48/16/76/600481676.db2.gz QOOYLCZCJFIEKT-VIFPVBQESA-N -1 0 336.388 3.647 20 0 EHADRM O=C([O-])c1ccc(CN2CCc3cccc(Br)c3C2)cc1 ZINC000740125463 600489762 /nfs/dbraw/zinc/48/97/62/600489762.db2.gz FEMVJPHLIJLDSQ-UHFFFAOYSA-N -1 0 346.224 3.706 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccc(C(C)(C)C)cc1 ZINC000263143234 600489998 /nfs/dbraw/zinc/48/99/98/600489998.db2.gz ZZPOKSNDIOMMFS-DZGCQCFKSA-N -1 0 332.444 3.551 20 0 EHADRM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)NCCCCCCC(=O)[O-])C1 ZINC000738319914 600490658 /nfs/dbraw/zinc/49/06/58/600490658.db2.gz HWQIYKBWXBUVLA-SJORKVTESA-N -1 0 346.471 3.918 20 0 EHADRM CC1CCC(N(C)C(=O)NCCc2ccc(NC(=O)[O-])cc2)CC1 ZINC000736762087 600498797 /nfs/dbraw/zinc/49/87/97/600498797.db2.gz PEBLZQROMWYCLH-UHFFFAOYSA-N -1 0 333.432 3.539 20 0 EHADRM CN(C(=O)NCCc1ccc(NC(=O)[O-])cc1)C1CCCCCC1 ZINC000737328008 600498988 /nfs/dbraw/zinc/49/89/88/600498988.db2.gz ZMEMIUAPKNFJNN-UHFFFAOYSA-N -1 0 333.432 3.683 20 0 EHADRM C[C@@H]1CN(C(=O)NCCc2ccc(NC(=O)[O-])cc2)c2ccccc21 ZINC000736812130 600500210 /nfs/dbraw/zinc/50/02/10/600500210.db2.gz QLCJTMPEDNXJRC-CYBMUJFWSA-N -1 0 339.395 3.652 20 0 EHADRM C[C@H](COc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000736615555 600507112 /nfs/dbraw/zinc/50/71/12/600507112.db2.gz ONNBGDWVSGZRMV-LLVKDONJSA-N -1 0 348.786 3.627 20 0 EHADRM C[C@H](Cc1cccs1)NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000316836387 600509624 /nfs/dbraw/zinc/50/96/24/600509624.db2.gz KWEUMGFECDAISP-SECBINFHSA-N -1 0 338.816 3.852 20 0 EHADRM Cc1cc(NC(=O)N(Cc2ccccn2)C(C)C)ccc1C(=O)[O-] ZINC000738438256 600513329 /nfs/dbraw/zinc/51/33/29/600513329.db2.gz NIMVBJICJVHJEG-UHFFFAOYSA-N -1 0 327.384 3.531 20 0 EHADRM Cc1cccc(OCCNC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000392150598 600513510 /nfs/dbraw/zinc/51/35/10/600513510.db2.gz YAQQGSPVGWEQBX-UHFFFAOYSA-N -1 0 348.786 3.547 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)CCCOc1cccc2ccccc21)C(=O)[O-] ZINC000675986696 600520230 /nfs/dbraw/zinc/52/02/30/600520230.db2.gz MVFKXNXAGIIOSH-SFHVURJKSA-N -1 0 343.423 3.614 20 0 EHADRM CCN(C(=O)CCOc1ccc(C)cc1C)c1ccccc1C(=O)[O-] ZINC000737052706 600523166 /nfs/dbraw/zinc/52/31/66/600523166.db2.gz GMXZWOZFIDMIQY-UHFFFAOYSA-N -1 0 341.407 3.824 20 0 EHADRM CCN(C(=O)c1cc(Cl)ccc1OC)c1ccccc1C(=O)[O-] ZINC000737058724 600523575 /nfs/dbraw/zinc/52/35/75/600523575.db2.gz RZUBPYAHPHLRGD-UHFFFAOYSA-N -1 0 333.771 3.714 20 0 EHADRM CCN(C(=O)Cc1ccc(OC(F)F)cc1)c1ccccc1C(=O)[O-] ZINC000737059704 600524399 /nfs/dbraw/zinc/52/43/99/600524399.db2.gz GSPINWWKERELSW-UHFFFAOYSA-N -1 0 349.333 3.582 20 0 EHADRM CC[C@@H]1CCCCCN1C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000736941342 600529822 /nfs/dbraw/zinc/52/98/22/600529822.db2.gz KOVFMWKZKQDYSM-CQSZACIVSA-N -1 0 328.412 3.521 20 0 EHADRM C[C@H](NC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ccccc1-c1ccc(Cl)cc1 ZINC000736633076 600529843 /nfs/dbraw/zinc/52/98/43/600529843.db2.gz KDVHEQDZLBMACO-GOPGUHFVSA-N -1 0 343.810 3.905 20 0 EHADRM CCN(C(=O)Cc1c[nH]c2cccc(C)c12)c1ccccc1C(=O)[O-] ZINC000737060296 600532531 /nfs/dbraw/zinc/53/25/31/600532531.db2.gz PVXXISBVNRHWLC-UHFFFAOYSA-N -1 0 336.391 3.770 20 0 EHADRM CCc1ccc([C@@H](NC(=O)NCc2ccc(C(=O)[O-])o2)C(C)C)cc1 ZINC000737259449 600533644 /nfs/dbraw/zinc/53/36/44/600533644.db2.gz RFTUBFJQOSFKSB-KRWDZBQOSA-N -1 0 344.411 3.737 20 0 EHADRM Cc1ccc(CCCC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000237698722 600541642 /nfs/dbraw/zinc/54/16/42/600541642.db2.gz LYVOZWNGFUDYHD-UHFFFAOYSA-N -1 0 342.351 3.563 20 0 EHADRM Cc1csc(C2(NC(=O)Nc3cccc(C(=O)[O-])c3)CCCC2)n1 ZINC000738815868 600548772 /nfs/dbraw/zinc/54/87/72/600548772.db2.gz ATGTVEZWTQYOKY-UHFFFAOYSA-N -1 0 345.424 3.741 20 0 EHADRM O=C([O-])CCNC(=O)Nc1cccc(CSCc2ccccc2)c1 ZINC000739734192 600553524 /nfs/dbraw/zinc/55/35/24/600553524.db2.gz WCYQOOCFXYBOSM-UHFFFAOYSA-N -1 0 344.436 3.716 20 0 EHADRM Cc1ccc(CCCNC(=O)c2ccccc2NC(=O)[O-])c(C)c1 ZINC000738589855 600566313 /nfs/dbraw/zinc/56/63/13/600566313.db2.gz YJZHVJSXNXQWET-UHFFFAOYSA-N -1 0 326.396 3.756 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)Nc1ccc2[nH]ccc2c1)C(=O)[O-] ZINC000237385528 600567624 /nfs/dbraw/zinc/56/76/24/600567624.db2.gz DVUXVHBNLPGZNO-LLVKDONJSA-N -1 0 340.404 3.985 20 0 EHADRM Cc1cc(NC(=O)N(C)[C@H](C)c2cc3ccccc3o2)c(C(=O)[O-])[nH]1 ZINC000738436974 600568995 /nfs/dbraw/zinc/56/89/95/600568995.db2.gz AFAOVMWIIDJOCD-LLVKDONJSA-N -1 0 341.367 3.992 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)NCCCCOCc1ccccc1 ZINC000740044866 600575817 /nfs/dbraw/zinc/57/58/17/600575817.db2.gz CUBDGZTZESHKNA-UHFFFAOYSA-N -1 0 342.395 3.503 20 0 EHADRM Cc1sc2nc([C@@H](C)S[C@H](C)CC(=O)[O-])nc(N)c2c1C ZINC000738397468 600588734 /nfs/dbraw/zinc/58/87/34/600588734.db2.gz FLGPRWMWBBPQIM-HZGVNTEJSA-N -1 0 325.459 3.548 20 0 EHADRM C[C@@H](CC(=O)[O-])SCc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000736558205 600590604 /nfs/dbraw/zinc/59/06/04/600590604.db2.gz ZUPIXIKYXJWZJS-QMMMGPOBSA-N -1 0 346.330 3.852 20 0 EHADRM CN(C(=O)/C=C\c1ccc(Cl)s1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737314300 600593379 /nfs/dbraw/zinc/59/33/79/600593379.db2.gz QIOLUNAWOKQFRQ-WWRUEGTHSA-N -1 0 335.812 3.699 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)CC1CCCC1)Cc1cccc2ccccc21 ZINC000486378655 600599312 /nfs/dbraw/zinc/59/93/12/600599312.db2.gz UNNXAPIGJDKTGD-GOSISDBHSA-N -1 0 339.435 3.780 20 0 EHADRM C[C@@H](CS[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000736620687 600600009 /nfs/dbraw/zinc/60/00/09/600600009.db2.gz YGGLUGIJOPTKEQ-YUMQZZPRSA-N -1 0 336.240 3.774 20 0 EHADRM CC[C@H](CC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000736891863 600600673 /nfs/dbraw/zinc/60/06/73/600600673.db2.gz HITHEPMXQMTSAW-BEFAXECRSA-N -1 0 325.408 3.855 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000737256825 600600805 /nfs/dbraw/zinc/60/08/05/600600805.db2.gz KKMPNVUNSCWOKO-RDTXWAMCSA-N -1 0 325.408 3.637 20 0 EHADRM O=C([O-])[C@H](CNC(=O)C[C@@H]1C=CCC1)Cc1cccc2ccccc21 ZINC000262838071 600601662 /nfs/dbraw/zinc/60/16/62/600601662.db2.gz SWCXNRAGEACZOQ-QAPCUYQASA-N -1 0 337.419 3.556 20 0 EHADRM C[C@H](CSCc1ccc(C(=O)Nc2ccccc2)cc1)C(=O)[O-] ZINC000736613748 600601768 /nfs/dbraw/zinc/60/17/68/600601768.db2.gz OUFZEBOQQUOINJ-CYBMUJFWSA-N -1 0 329.421 3.893 20 0 EHADRM CCC(C)(C)C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000262439614 600602478 /nfs/dbraw/zinc/60/24/78/600602478.db2.gz MWXPXNOXLXSIDJ-MRXNPFEDSA-N -1 0 327.424 3.636 20 0 EHADRM C[C@H](CSCC[S@](=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000736614163 600605107 /nfs/dbraw/zinc/60/51/07/600605107.db2.gz SYUVBLKTXBITJA-YLVJLNSGSA-N -1 0 341.281 3.555 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCC(c3ccccc3F)CC2)c1 ZINC000575050003 600608099 /nfs/dbraw/zinc/60/80/99/600608099.db2.gz WWFIOTBTKNPIET-UHFFFAOYSA-N -1 0 327.355 3.544 20 0 EHADRM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1ccccc1OCc1cccc(Cl)c1 ZINC000561697307 600608160 /nfs/dbraw/zinc/60/81/60/600608160.db2.gz XQXLXWQXNUIBIO-KGLIPLIRSA-N -1 0 345.782 3.578 20 0 EHADRM CC[C@@](NC(=O)C[C@H]1CCc2ccccc21)(C(=O)[O-])c1ccccc1 ZINC000675981999 600609087 /nfs/dbraw/zinc/60/90/87/600609087.db2.gz HXMGSBPGANIHDX-IERDGZPVSA-N -1 0 337.419 3.613 20 0 EHADRM C[C@@](NC(=O)c1ccc(-c2ccc(F)cc2)cc1F)(C(=O)[O-])C1CC1 ZINC000237728768 600609809 /nfs/dbraw/zinc/60/98/09/600609809.db2.gz ZLYMHFQAKLACQF-IBGZPJMESA-N -1 0 345.345 3.615 20 0 EHADRM C[C@](NC(=O)c1ccc(-c2ccc(F)cc2)s1)(C(=O)[O-])C1CC1 ZINC000237457519 600615205 /nfs/dbraw/zinc/61/52/05/600615205.db2.gz OXRLCWHCFVBPFY-QGZVFWFLSA-N -1 0 333.384 3.537 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)[C@@H]2COc3ccccc32)s1 ZINC000736294759 600618345 /nfs/dbraw/zinc/61/83/45/600618345.db2.gz QRNRUJSWLHSYOV-GFCCVEGCSA-N -1 0 345.420 3.859 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000736628096 600620736 /nfs/dbraw/zinc/62/07/36/600620736.db2.gz UUVKGUQILKXURQ-SNVBAGLBSA-N -1 0 335.762 3.995 20 0 EHADRM C[C@@H]1CCC[C@@H](OCC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC000736777016 600623503 /nfs/dbraw/zinc/62/35/03/600623503.db2.gz UOOMTAOCRGNYJU-QMTHXVAHSA-N -1 0 325.792 3.572 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)NC2(c3cccc(F)c3)CC2)ccc1F ZINC000740006834 600626376 /nfs/dbraw/zinc/62/63/76/600626376.db2.gz XKRYLEYFPNPDLL-UHFFFAOYSA-N -1 0 347.321 3.866 20 0 EHADRM CC[C@H](C)c1ccc(OS(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1 ZINC000736892040 600645689 /nfs/dbraw/zinc/64/56/89/600645689.db2.gz RWWRSVNETOTNKK-ZDUSSCGKSA-N -1 0 348.420 3.595 20 0 EHADRM CCN(C(=O)CCOc1ccc(C)c(C)c1)c1ccccc1C(=O)[O-] ZINC000737052461 600646697 /nfs/dbraw/zinc/64/66/97/600646697.db2.gz BPEDCGRZKTVULW-UHFFFAOYSA-N -1 0 341.407 3.824 20 0 EHADRM CC(C)(C)OCc1cccc(CNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000179994066 600664970 /nfs/dbraw/zinc/66/49/70/600664970.db2.gz FKCCHLHIYMOJOJ-DLBZAZTESA-N -1 0 347.455 3.509 20 0 EHADRM CCCCC[C@@H](O)CC(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000736985716 600666632 /nfs/dbraw/zinc/66/66/32/600666632.db2.gz ZKTDJNGUZJRIKK-OAHLLOKOSA-N -1 0 329.396 3.808 20 0 EHADRM CC(C)(C)c1ccc(OCC(=O)Oc2ccccc2CC(=O)[O-])cc1 ZINC000736300386 600676647 /nfs/dbraw/zinc/67/66/47/600676647.db2.gz XIGWTUWEEGJFTN-UHFFFAOYSA-N -1 0 342.391 3.596 20 0 EHADRM Cc1sc(NC(=O)CNc2ccc(C(=O)[O-])c(C)c2)c(C)c1C ZINC000738461731 600676865 /nfs/dbraw/zinc/67/68/65/600676865.db2.gz XBIJEYDQVIMARK-UHFFFAOYSA-N -1 0 332.425 3.731 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)Oc1ccccc1CC(=O)[O-] ZINC000738841431 600678132 /nfs/dbraw/zinc/67/81/32/600678132.db2.gz SLPWVIDKGXDUDS-UHFFFAOYSA-N -1 0 333.409 3.595 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000736232101 600679489 /nfs/dbraw/zinc/67/94/89/600679489.db2.gz DPADYHZALHLBET-UHFFFAOYSA-N -1 0 346.814 3.753 20 0 EHADRM Cc1oc(CNc2ccc(Br)c(F)c2)cc1C(=O)[O-] ZINC000235975400 600680312 /nfs/dbraw/zinc/68/03/12/600680312.db2.gz JHYJSMGBTYLEFQ-UHFFFAOYSA-N -1 0 328.137 3.800 20 0 EHADRM Cc1cc(S(=O)(=O)Oc2ccccc2C(C)C)ccc1C(=O)[O-] ZINC000738478646 600689064 /nfs/dbraw/zinc/68/90/64/600689064.db2.gz ZZGAVPBSEKVWAT-UHFFFAOYSA-N -1 0 334.393 3.584 20 0 EHADRM Cn1cc(-c2cccc(-c3nc(-c4ccc(C(=O)[O-])cc4)no3)c2)cn1 ZINC000833041815 600692881 /nfs/dbraw/zinc/69/28/81/600692881.db2.gz WUCBSVFVPNVDGK-UHFFFAOYSA-N -1 0 346.346 3.502 20 0 EHADRM O=C([O-])c1ccc(-c2noc([C@@H]3C[C@H]3c3cccc(F)c3F)n2)cc1 ZINC000833309069 600693193 /nfs/dbraw/zinc/69/31/93/600693193.db2.gz XRPZXKHJNXJMDD-QWHCGFSZSA-N -1 0 342.301 3.984 20 0 EHADRM Cc1ccc2cccc(-c3nc(-c4cccc(C(=O)[O-])c4)no3)c2n1 ZINC000832961809 600694412 /nfs/dbraw/zinc/69/44/12/600694412.db2.gz GZNHDFNBCVSHAA-UHFFFAOYSA-N -1 0 331.331 3.958 20 0 EHADRM O=C([O-])c1cccc(-c2noc([C@@H]3C[C@]34CCOc3ccccc34)n2)c1 ZINC000833328098 600694844 /nfs/dbraw/zinc/69/48/44/600694844.db2.gz VHVKEMSCQDJCSM-YWZLYKJASA-N -1 0 348.358 3.643 20 0 EHADRM CC(C)C[C@H](C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccccc1 ZINC000736401267 600696289 /nfs/dbraw/zinc/69/62/89/600696289.db2.gz FRIUWEXWBGQYAQ-IRXDYDNUSA-N -1 0 329.440 3.530 20 0 EHADRM Cc1cccc(OCCCc2nc(-c3cccc(C(=O)[O-])c3)no2)c1 ZINC000832972148 600696801 /nfs/dbraw/zinc/69/68/01/600696801.db2.gz NKNZFNWWSIIZDD-UHFFFAOYSA-N -1 0 338.363 3.755 20 0 EHADRM O=C([O-])c1cccc(-c2noc(CCc3cc(Cl)cs3)n2)c1 ZINC000833327586 600700408 /nfs/dbraw/zinc/70/04/08/600700408.db2.gz DFZXJWUNGLRICE-UHFFFAOYSA-N -1 0 334.784 3.935 20 0 EHADRM Cc1cc2c(cc1C)O[C@@H](c1nc(-c3cccc(C(=O)[O-])c3)no1)C2 ZINC000832905297 600701325 /nfs/dbraw/zinc/70/13/25/600701325.db2.gz CXUKVARBIVSCFA-MRXNPFEDSA-N -1 0 336.347 3.728 20 0 EHADRM CC(C)CN(C)c1cc(C(=O)[O-])nc2ccc(Br)cc21 ZINC000736437507 600706812 /nfs/dbraw/zinc/70/68/12/600706812.db2.gz ITIZHJCJAQRLCG-UHFFFAOYSA-N -1 0 337.217 3.788 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)c1ccc(-c2ccccc2)n1C ZINC000833025261 600708683 /nfs/dbraw/zinc/70/86/83/600708683.db2.gz IHQKNWAUDSPNFS-UHFFFAOYSA-N -1 0 339.347 3.649 20 0 EHADRM CCC[C@@]1(C)CCCN(C(=O)NCCc2ccc(C(=O)[O-])cc2)C1 ZINC000829238044 600709143 /nfs/dbraw/zinc/70/91/43/600709143.db2.gz JXMMJMRNVHLBGO-IBGZPJMESA-N -1 0 332.444 3.539 20 0 EHADRM CC[C@H]1CCC[C@@H](NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C1 ZINC000736938915 600747542 /nfs/dbraw/zinc/74/75/42/600747542.db2.gz AMRQLKDVKZYAEC-XJKSGUPXSA-N -1 0 333.432 3.887 20 0 EHADRM CC(C)C[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000263226102 600752232 /nfs/dbraw/zinc/75/22/32/600752232.db2.gz LTCPIMKOABAPKD-HIFRSBDPSA-N -1 0 338.835 3.543 20 0 EHADRM CCC[C@H]1[C@H](C)CCCN1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000829245367 600752392 /nfs/dbraw/zinc/75/23/92/600752392.db2.gz JYCZCVYXXFBGKJ-PBHICJAKSA-N -1 0 347.459 3.929 20 0 EHADRM O=C([O-])[C@@H](NCc1coc(-c2ccccc2)n1)c1cccc(Cl)c1 ZINC000426744980 600753336 /nfs/dbraw/zinc/75/33/36/600753336.db2.gz RZOSTHOIQGSDCF-INIZCTEOSA-N -1 0 342.782 3.911 20 0 EHADRM CCO[C@@H]1C[C@@H](OC(=O)CCc2ccc(C(=O)[O-])cc2)C12CCCC2 ZINC000737164448 600756083 /nfs/dbraw/zinc/75/60/83/600756083.db2.gz DUCIMWAUKSNDGP-IAGOWNOFSA-N -1 0 346.423 3.598 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)N[C@@H]2C[C@H]2C2CCCCC2)cc1 ZINC000833287226 600774092 /nfs/dbraw/zinc/77/40/92/600774092.db2.gz GJGWWBHRUFNZJG-DLBZAZTESA-N -1 0 345.443 3.587 20 0 EHADRM Cc1ccc(S(=O)(=O)N(c2ccccc2C)C(C)C)cc1C(=O)[O-] ZINC000832954191 600782080 /nfs/dbraw/zinc/78/20/80/600782080.db2.gz OTOMRKUIQRDMJM-UHFFFAOYSA-N -1 0 347.436 3.605 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)ccc1F ZINC000776630254 600784487 /nfs/dbraw/zinc/78/44/87/600784487.db2.gz DVDMBJFADMSJKU-OXQOHEQNSA-N -1 0 339.366 3.757 20 0 EHADRM CCc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)s1 ZINC000776676282 600799615 /nfs/dbraw/zinc/79/96/15/600799615.db2.gz DRNBDPKNCFULMZ-ZDUSSCGKSA-N -1 0 337.828 3.910 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCc1ccsc1)c1cccc(Cl)c1 ZINC000776674433 600800489 /nfs/dbraw/zinc/80/04/89/600800489.db2.gz JWDOMASLNSWYMF-CQSZACIVSA-N -1 0 337.828 3.666 20 0 EHADRM Cc1cc(F)cc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000776671306 600801311 /nfs/dbraw/zinc/80/13/11/600801311.db2.gz ATKAUMSUJCPMIY-HNNXBMFYSA-N -1 0 335.762 3.733 20 0 EHADRM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1)c1cccc(F)c1 ZINC000776671972 600801375 /nfs/dbraw/zinc/80/13/75/600801375.db2.gz GOYPPOGYXLPUAX-BZNIZROVSA-N -1 0 349.789 3.915 20 0 EHADRM CCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000776676925 600804388 /nfs/dbraw/zinc/80/43/88/600804388.db2.gz KDTJTQYENYBMEF-MRXNPFEDSA-N -1 0 331.799 3.848 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c(C)s1 ZINC000776674138 600805231 /nfs/dbraw/zinc/80/52/31/600805231.db2.gz PYEWRPWMZYVHRE-AWEZNQCLSA-N -1 0 337.828 3.964 20 0 EHADRM CCc1ccc(CC(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000776677811 600805813 /nfs/dbraw/zinc/80/58/13/600805813.db2.gz NIDCEJKDWQADGU-KRWDZBQOSA-N -1 0 345.826 3.777 20 0 EHADRM CC(C)CCSCC(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000776673195 600806647 /nfs/dbraw/zinc/80/66/47/600806647.db2.gz MXTWJDSDWWLNAM-AWEZNQCLSA-N -1 0 343.876 3.751 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)/C=C\c1cccs1)c1cccc(Cl)c1 ZINC000776679647 600807125 /nfs/dbraw/zinc/80/71/25/600807125.db2.gz WPNHNTQROHUABL-LMVHVUTASA-N -1 0 335.812 3.747 20 0 EHADRM Cc1cccc([C@H](C)CNC(=O)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC000738693167 600810677 /nfs/dbraw/zinc/81/06/77/600810677.db2.gz SWIJVGBIKVSRTI-OAHLLOKOSA-N -1 0 340.423 3.937 20 0 EHADRM CCSCCSc1nc(C)nc2sc(C(=O)[O-])c(C)c21 ZINC000737230613 600817490 /nfs/dbraw/zinc/81/74/90/600817490.db2.gz ACIMHSQRAKJDGF-UHFFFAOYSA-N -1 0 328.484 3.852 20 0 EHADRM CC/C(=C/C(=O)N1CCCC[C@H]1CC(=O)[O-])c1cccc(Cl)c1 ZINC000828550215 600818158 /nfs/dbraw/zinc/81/81/58/600818158.db2.gz SSGTVYMFDHSRQY-KVNDZABWSA-N -1 0 335.831 3.989 20 0 EHADRM Cc1nc(Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc(-c2cccnc2)n1 ZINC000833003380 600818689 /nfs/dbraw/zinc/81/86/89/600818689.db2.gz QLXMSRDQXPRYQN-UHFFFAOYSA-N -1 0 348.406 3.953 20 0 EHADRM Cc1cc(NC(=S)N[C@H]2CCOc3ccccc32)sc1C(=O)[O-] ZINC000738241760 600819382 /nfs/dbraw/zinc/81/93/82/600819382.db2.gz ZJAMWVHNJOYXHB-NSHDSACASA-N -1 0 348.449 3.565 20 0 EHADRM CO[C@H](CNc1nc(Cl)c(C(=O)[O-])s1)c1ccc(Cl)cc1 ZINC000831526464 600819435 /nfs/dbraw/zinc/81/94/35/600819435.db2.gz GKYMKLMAACVSEN-SECBINFHSA-N -1 0 347.223 3.948 20 0 EHADRM Cc1cccc(NC(=S)N2C[C@H](CC(=O)[O-])c3ccccc32)c1 ZINC000738736101 600820379 /nfs/dbraw/zinc/82/03/79/600820379.db2.gz KCOAMBKHFUYKRI-ZDUSSCGKSA-N -1 0 326.421 3.770 20 0 EHADRM COc1cccc(NC(=S)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000738106946 600822315 /nfs/dbraw/zinc/82/23/15/600822315.db2.gz QYHPPXFWXFPNNI-UHFFFAOYSA-N -1 0 344.436 3.866 20 0 EHADRM CCc1ccc(CC(=O)Oc2ccc(/C=C\C(=O)[O-])cc2OC)cc1 ZINC000737260516 600829372 /nfs/dbraw/zinc/82/93/72/600829372.db2.gz ROVYGYBMWPYQMX-LUAWRHEFSA-N -1 0 340.375 3.504 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)ccc1F ZINC000740082090 600829996 /nfs/dbraw/zinc/82/99/96/600829996.db2.gz UQTBDPQAZRUIMJ-WDEREUQCSA-N -1 0 335.281 3.544 20 0 EHADRM CCSc1nnc(S[C@@H](C(=O)[O-])c2ccccc2F)s1 ZINC000830174165 600832130 /nfs/dbraw/zinc/83/21/30/600832130.db2.gz ACOHLCMATSRPJJ-SECBINFHSA-N -1 0 330.431 3.707 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000263030524 600834538 /nfs/dbraw/zinc/83/45/38/600834538.db2.gz UOVUWPADFMVLQK-HOTGVXAUSA-N -1 0 331.412 3.613 20 0 EHADRM O=C([O-])[C@H](Sc1nc(C2CC2)n[nH]1)c1ccc(Cl)cc1Cl ZINC000833168889 600836541 /nfs/dbraw/zinc/83/65/41/600836541.db2.gz GATZAXCEEJDZMR-SNVBAGLBSA-N -1 0 344.223 3.907 20 0 EHADRM O=C([O-])[C@H](Sc1nncn1C1CC1)c1ccc(Cl)cc1Cl ZINC000833170668 600836560 /nfs/dbraw/zinc/83/65/60/600836560.db2.gz RXNFSKMQCAHHQX-LLVKDONJSA-N -1 0 344.223 3.838 20 0 EHADRM CC(C)OC(=O)CS[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000826990044 600841015 /nfs/dbraw/zinc/84/10/15/600841015.db2.gz MIYXXKCIBJBYLF-GFCCVEGCSA-N -1 0 337.224 3.804 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)C[C@@H](C)c1ccccc1C(F)(F)F ZINC000236735711 600841518 /nfs/dbraw/zinc/84/15/18/600841518.db2.gz LRUHQPJBUMXHSS-GFCCVEGCSA-N -1 0 345.361 3.911 20 0 EHADRM C[C@@H](CC(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21)c1ccccc1F ZINC000736544697 600849398 /nfs/dbraw/zinc/84/93/98/600849398.db2.gz JRCYGJJZKFBBRC-UONOGXRCSA-N -1 0 341.382 3.924 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(OC3CCC3)cc2)ccc1F ZINC000833158250 600852233 /nfs/dbraw/zinc/85/22/33/600852233.db2.gz WMCWHHBQVFRZJQ-UHFFFAOYSA-N -1 0 329.327 3.708 20 0 EHADRM CC(C)[C@H](C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)c1ccccc1 ZINC000236624258 600855993 /nfs/dbraw/zinc/85/59/93/600855993.db2.gz USMZZEDMMCNUOS-INIZCTEOSA-N -1 0 337.379 3.639 20 0 EHADRM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)NCCCCCCC(=O)[O-])cc1 ZINC000262893604 600857340 /nfs/dbraw/zinc/85/73/40/600857340.db2.gz ANOJERXATKYVCF-HKUYNNGSSA-N -1 0 347.455 3.614 20 0 EHADRM Cc1nc(-c2cccc(C(=O)NCCCCCCC(=O)[O-])c2)cs1 ZINC000237693621 600857440 /nfs/dbraw/zinc/85/74/40/600857440.db2.gz NCWLEIAQGMETGB-UHFFFAOYSA-N -1 0 346.452 3.883 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)c2c(F)cccc2Cl)c2ccccc21 ZINC000321281431 600858989 /nfs/dbraw/zinc/85/89/89/600858989.db2.gz DBDHDFTVRJECQU-SNVBAGLBSA-N -1 0 333.746 3.698 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)CCCNC(=O)[O-])c1ccc(Cl)cc1 ZINC000736251307 600864727 /nfs/dbraw/zinc/86/47/27/600864727.db2.gz PRKFXKSEWVKNOP-CQSZACIVSA-N -1 0 340.851 3.981 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccsc2)c(Br)cc1F ZINC000739457481 600869764 /nfs/dbraw/zinc/86/97/64/600869764.db2.gz FTGBBBBZUCASMR-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)c3cccc(C(=O)[O-])c3)cc2)nn1 ZINC000678992660 600870664 /nfs/dbraw/zinc/87/06/64/600870664.db2.gz SSNHZOFUBOTPFK-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM COc1ccc(NC(=O)[C@@H](C)CCc2cccc(F)c2)c(C(=O)[O-])c1 ZINC000832388469 600875478 /nfs/dbraw/zinc/87/54/78/600875478.db2.gz IQHKKDVYKSTRKR-LBPRGKRZSA-N -1 0 345.370 3.740 20 0 EHADRM CCCOc1ccc(CCC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000261935058 600876751 /nfs/dbraw/zinc/87/67/51/600876751.db2.gz LUBPCZIZXUZOOX-UHFFFAOYSA-N -1 0 345.370 3.884 20 0 EHADRM CC[C@](NC(=O)c1cccc(F)c1Cl)(C(=O)[O-])c1ccccc1 ZINC000485365189 600880497 /nfs/dbraw/zinc/88/04/97/600880497.db2.gz JVEPAHJBYHZRML-QGZVFWFLSA-N -1 0 335.762 3.599 20 0 EHADRM COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)CCC(=O)[O-])cc1 ZINC000583221878 600884191 /nfs/dbraw/zinc/88/41/91/600884191.db2.gz LCAFFMPOCJYJFQ-AWEZNQCLSA-N -1 0 341.407 3.746 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N(CCC(=O)[O-])C(C)C)o2)cc1 ZINC000236987690 600884698 /nfs/dbraw/zinc/88/46/98/600884698.db2.gz RGJXABASQUVZKJ-UHFFFAOYSA-N -1 0 329.396 3.834 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NCc2c(Cl)cccc2Cl)C1 ZINC000833183645 600885761 /nfs/dbraw/zinc/88/57/61/600885761.db2.gz HAWMTKHORUBBES-NXEZZACHSA-N -1 0 330.211 3.501 20 0 EHADRM COc1cc(C(=O)[O-])cc(N[C@H](C)c2ccc(F)cc2F)c1OC ZINC000831913468 600894885 /nfs/dbraw/zinc/89/48/85/600894885.db2.gz QOJGBLUJJYBSET-SECBINFHSA-N -1 0 337.322 3.853 20 0 EHADRM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000180114815 600895941 /nfs/dbraw/zinc/89/59/41/600895941.db2.gz DHHMPILEANTAET-NEPJUHHUSA-N -1 0 344.238 3.843 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000179964360 600896336 /nfs/dbraw/zinc/89/63/36/600896336.db2.gz SNCVVWVZHUNAFM-RYUDHWBXSA-N -1 0 339.819 3.958 20 0 EHADRM Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(C(=O)[O-])s2)c1 ZINC000832921035 600900272 /nfs/dbraw/zinc/90/02/72/600900272.db2.gz JYJUUVACRHURHH-UHFFFAOYSA-N -1 0 333.409 3.896 20 0 EHADRM O=C([O-])c1ccc(OC/C(Cl)=C/Cl)c(Br)c1 ZINC000833321622 600902198 /nfs/dbraw/zinc/90/21/98/600902198.db2.gz JYNVEPYANQTIDW-DAXSKMNVSA-N -1 0 325.973 3.845 20 0 EHADRM CCN(C(=O)[C@H]1C[C@H]1c1cccc(F)c1F)c1ccccc1C(=O)[O-] ZINC000737053323 600907606 /nfs/dbraw/zinc/90/76/06/600907606.db2.gz RFZIMSNWXIVEER-KBPBESRZSA-N -1 0 345.345 3.820 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(F)c(Cl)c1 ZINC000245731195 600909036 /nfs/dbraw/zinc/90/90/36/600909036.db2.gz QFSPTBLZIHLARM-MVWJERBFSA-N -1 0 327.783 3.547 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)o1 ZINC000738263866 600914795 /nfs/dbraw/zinc/91/47/95/600914795.db2.gz KCXUKJIAVQQWND-ZDUSSCGKSA-N -1 0 330.384 3.599 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000362781551 600918376 /nfs/dbraw/zinc/91/83/76/600918376.db2.gz NGSOIDKQIGKYMS-LLVKDONJSA-N -1 0 337.416 3.826 20 0 EHADRM CC(C)C[C@@H](CNC(=O)c1cc2c(ccc3ccccc23)[nH]1)C(=O)[O-] ZINC000431536353 600919952 /nfs/dbraw/zinc/91/99/52/600919952.db2.gz CEMVOCVZSHNHKV-AWEZNQCLSA-N -1 0 338.407 3.798 20 0 EHADRM CC(C)C[C@@H](CNC(=O)c1sccc1-c1ccccc1)C(=O)[O-] ZINC000261818094 600921820 /nfs/dbraw/zinc/92/18/20/600921820.db2.gz WKLTXKROERBVIX-AWEZNQCLSA-N -1 0 331.437 3.892 20 0 EHADRM CC(C)C[C@@H](CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)C(=O)[O-] ZINC000486310334 600922401 /nfs/dbraw/zinc/92/24/01/600922401.db2.gz PXWOHYRJXLXOJT-AWEZNQCLSA-N -1 0 342.439 3.523 20 0 EHADRM CC(C)C[C@H](CNC(=O)CCSc1ccccc1Cl)C(=O)[O-] ZINC000388599928 600922539 /nfs/dbraw/zinc/92/25/39/600922539.db2.gz JVOROPIZTUEQKX-GFCCVEGCSA-N -1 0 343.876 3.685 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1)C(=O)[O-] ZINC000486289072 600922710 /nfs/dbraw/zinc/92/27/10/600922710.db2.gz ZUUPZLNJKXFELV-FGTMMUONSA-N -1 0 331.456 3.777 20 0 EHADRM CCC(CC)(NC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000342545000 600926294 /nfs/dbraw/zinc/92/62/94/600926294.db2.gz KTIPGIGXXGOXFA-SJORKVTESA-N -1 0 325.408 3.703 20 0 EHADRM CC(C)(Cc1ccccc1Cl)NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000179999365 600929081 /nfs/dbraw/zinc/92/90/81/600929081.db2.gz QONJSDIEXKAYHZ-QWHCGFSZSA-N -1 0 337.847 3.668 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N(C)CCc1cccs1)C(=O)[O-] ZINC000192971790 600930533 /nfs/dbraw/zinc/93/05/33/600930533.db2.gz CTOCMUOGXGBGJE-LBPRGKRZSA-N -1 0 349.477 3.628 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000245745701 600931535 /nfs/dbraw/zinc/93/15/35/600931535.db2.gz SLYMAWPSINNDGW-AEGPPILISA-N -1 0 335.469 3.867 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC000829009983 600939031 /nfs/dbraw/zinc/93/90/31/600939031.db2.gz XMVBIPAUMUSMBC-XYPHTWIQSA-N -1 0 334.412 3.593 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OC(=O)[C@H](C)CC(=O)c1cccc(F)c1 ZINC000832918618 600940610 /nfs/dbraw/zinc/94/06/10/600940610.db2.gz KRBJQLYIPCCURH-GFCCVEGCSA-N -1 0 344.338 3.647 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N(Cc2cccc(F)c2)C2CCCC2)C1 ZINC000833181768 600943149 /nfs/dbraw/zinc/94/31/49/600943149.db2.gz KGCWTFQKRAGCSM-HZPDHXFCSA-N -1 0 347.430 3.988 20 0 EHADRM Cc1nc(C2CCCC2)sc1C(=O)OCc1ccc(C(=O)[O-])o1 ZINC000832996757 600943263 /nfs/dbraw/zinc/94/32/63/600943263.db2.gz DKUNANVRAMTFIE-UHFFFAOYSA-N -1 0 335.381 3.757 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)OCc1cccc(C(=O)[O-])c1 ZINC000829009565 600944678 /nfs/dbraw/zinc/94/46/78/600944678.db2.gz HGVYESZZTFSMDB-XKQJLSEDSA-N -1 0 334.412 3.802 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)OCc1cccc(C(=O)[O-])c1 ZINC000827427995 600944739 /nfs/dbraw/zinc/94/47/39/600944739.db2.gz PTLNHLVZYNFYKW-ZDUSSCGKSA-N -1 0 330.355 3.836 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)[C@@H]2C[C@]23CCCc2ccccc23)c1 ZINC000833268212 600946834 /nfs/dbraw/zinc/94/68/34/600946834.db2.gz VVHKAOXIXAYDRE-RXVVDRJESA-N -1 0 336.387 3.513 20 0 EHADRM COC(=O)c1ccc(NC(=O)c2ccc3ccccc3c2)cc1C(=O)[O-] ZINC000831430614 600950332 /nfs/dbraw/zinc/95/03/32/600950332.db2.gz GKKTZIUPALPUQY-UHFFFAOYSA-N -1 0 349.342 3.577 20 0 EHADRM CN(Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)c1cccc(O)c1 ZINC000737496813 600957415 /nfs/dbraw/zinc/95/74/15/600957415.db2.gz KGEDXYIZGDVTFT-UHFFFAOYSA-N -1 0 340.404 3.850 20 0 EHADRM Cc1ccc(-c2nc(C(=O)O[C@@H](CC(C)C)C(=O)[O-])cs2)cc1 ZINC000832907269 600958404 /nfs/dbraw/zinc/95/84/04/600958404.db2.gz OLMXAPDNVIEMCW-AWEZNQCLSA-N -1 0 333.409 3.775 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000833268653 600959500 /nfs/dbraw/zinc/95/95/00/600959500.db2.gz DEFXIOPWBBDUOW-UWJYYQICSA-N -1 0 336.387 3.513 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2cccc(Oc3ccccn3)c2)c1 ZINC000191589371 600962150 /nfs/dbraw/zinc/96/21/50/600962150.db2.gz IQCROGRXLJSLCB-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM O=C([O-])C[C@H]1CN(Cc2cn3cc(Cl)ccc3n2)c2ccccc21 ZINC000325243423 600962421 /nfs/dbraw/zinc/96/24/21/600962421.db2.gz WGPQRIHIDBSERE-LBPRGKRZSA-N -1 0 341.798 3.566 20 0 EHADRM CCOc1c(F)cccc1C(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000830027261 600964253 /nfs/dbraw/zinc/96/42/53/600964253.db2.gz VBJJGYRXHVJHIP-UHFFFAOYSA-N -1 0 337.372 3.853 20 0 EHADRM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ccc(C(=O)[O-])cn2)o1 ZINC000190664430 600967460 /nfs/dbraw/zinc/96/74/60/600967460.db2.gz ZVIJSHBFRBFOHQ-BLLLJJGKSA-N -1 0 342.395 3.549 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000829009300 600968551 /nfs/dbraw/zinc/96/85/51/600968551.db2.gz AXBYVLOIRYOGSY-RANZSIQMSA-N -1 0 347.455 3.693 20 0 EHADRM Cc1ccccc1NC(=O)CCSCc1ccc(C(=O)[O-])cc1 ZINC000832978477 600968858 /nfs/dbraw/zinc/96/88/58/600968858.db2.gz HDQSPZSZBJWXJL-UHFFFAOYSA-N -1 0 329.421 3.955 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2SCCc3ccccc32)c(F)cc1F ZINC000833299296 600969786 /nfs/dbraw/zinc/96/97/86/600969786.db2.gz BJZFWSHCFVKKNL-HNNXBMFYSA-N -1 0 349.358 3.632 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)C1 ZINC000249609040 600973260 /nfs/dbraw/zinc/97/32/60/600973260.db2.gz RUVNEYSACDJYER-XJIUQZFPSA-N -1 0 333.403 3.626 20 0 EHADRM CCC[C@@H](C)C(=O)Nc1c(C)c(Br)ccc1C(=O)[O-] ZINC000829209812 600978208 /nfs/dbraw/zinc/97/82/08/600978208.db2.gz XJOILIPEVDXLQH-MRVPVSSYSA-N -1 0 328.206 3.830 20 0 EHADRM Cc1ccccc1-c1cnc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])o1 ZINC000832975775 600981585 /nfs/dbraw/zinc/98/15/85/600981585.db2.gz ZZGLDUOJFOVWNF-SFHVURJKSA-N -1 0 348.402 3.662 20 0 EHADRM O=C([O-])c1cccc(-c2nc(CSc3nncs3)cs2)c1 ZINC000740212699 600983695 /nfs/dbraw/zinc/98/36/95/600983695.db2.gz QDVSOMNSVXVZMA-UHFFFAOYSA-N -1 0 335.435 3.652 20 0 EHADRM Cc1ccc(NC(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000832947563 600995169 /nfs/dbraw/zinc/99/51/69/600995169.db2.gz RXIBBJMWIUNWHS-OAHLLOKOSA-N -1 0 332.787 3.986 20 0 EHADRM COc1ccc2sc(C(=O)N3CCCC[C@@H]3CC(=O)[O-])c(C)c2c1 ZINC000679394145 601004752 /nfs/dbraw/zinc/00/47/52/601004752.db2.gz KSOPQYQKLBUJJX-GFCCVEGCSA-N -1 0 347.436 3.688 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1)Oc1ccc(Cl)cc1 ZINC000827486526 601007320 /nfs/dbraw/zinc/00/73/20/601007320.db2.gz OXDMIOUQDUHXOZ-NSHDSACASA-N -1 0 348.786 3.627 20 0 EHADRM CCc1nc(C)c([C@H](C)N(C)C(=O)Nc2cccc(C(=O)[O-])c2)s1 ZINC000830309364 601008673 /nfs/dbraw/zinc/00/86/73/601008673.db2.gz CPXIGUXDTXEDGE-NSHDSACASA-N -1 0 347.440 3.937 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)[C@H]2Cc3ccccc32)c1 ZINC000262051977 601008936 /nfs/dbraw/zinc/00/89/36/601008936.db2.gz FSLWRPBTAIFAKD-KRWDZBQOSA-N -1 0 341.432 3.673 20 0 EHADRM CC[C@](NC(=O)c1cc2cccc(F)c2o1)(C(=O)[O-])c1ccccc1 ZINC000675983644 601010631 /nfs/dbraw/zinc/01/06/31/601010631.db2.gz QJZGEGRDDYZYMK-LJQANCHMSA-N -1 0 341.338 3.692 20 0 EHADRM C[C@@H]1CCC[C@@H](C)N(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000828233465 601012541 /nfs/dbraw/zinc/01/25/41/601012541.db2.gz PPTFCNYNXHVUJI-NXEZZACHSA-N -1 0 326.343 3.705 20 0 EHADRM CCSCC[C@@H](C)N(C)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000830163662 601012731 /nfs/dbraw/zinc/01/27/31/601012731.db2.gz BZMSDGKNFBLVTP-SECBINFHSA-N -1 0 346.399 3.658 20 0 EHADRM CC(C)[C@H]1CN(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CCS1 ZINC000826741372 601013405 /nfs/dbraw/zinc/01/34/05/601013405.db2.gz CRNDGMMBENTIBX-CYBMUJFWSA-N -1 0 342.848 3.644 20 0 EHADRM C[C@@H](C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC000736202523 601018978 /nfs/dbraw/zinc/01/89/78/601018978.db2.gz NPXORYDYVPTDJI-WBMJQRKESA-N -1 0 331.799 3.728 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Oc1ccccc1CC(=O)[O-] ZINC000736762013 601021852 /nfs/dbraw/zinc/02/18/52/601021852.db2.gz KIZSAARQICAJRF-KYJSFNMBSA-N -1 0 348.439 3.697 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC000736626921 601026853 /nfs/dbraw/zinc/02/68/53/601026853.db2.gz PQQUCJAGRMSQNL-CYBMUJFWSA-N -1 0 347.361 3.651 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)cc1 ZINC000830514088 601030169 /nfs/dbraw/zinc/03/01/69/601030169.db2.gz MJWFZZZZIKBQIG-WMLDXEAASA-N -1 0 339.395 3.554 20 0 EHADRM CCc1[nH]c(C(=O)N(C)[C@@H](CC)Cc2ccccc2)c(C)c1C(=O)[O-] ZINC000737237213 601030692 /nfs/dbraw/zinc/03/06/92/601030692.db2.gz FJZJRWKOJGUFND-HNNXBMFYSA-N -1 0 342.439 3.677 20 0 EHADRM CCN(C(=O)Nc1ccc(CC(=O)[O-])cc1)[C@H](C)c1cccc(O)c1 ZINC000829602404 601032588 /nfs/dbraw/zinc/03/25/88/601032588.db2.gz LVOUMNKQMPNGRH-CYBMUJFWSA-N -1 0 342.395 3.634 20 0 EHADRM C[C@@H](CC(=O)N(c1ncc(C(=O)[O-])s1)C1CC1)C1CCCCC1 ZINC000736545488 601037805 /nfs/dbraw/zinc/03/78/05/601037805.db2.gz QHSAEAHHDQKGKX-NSHDSACASA-N -1 0 336.457 3.943 20 0 EHADRM CCCc1ccc(C(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)cc1 ZINC000737045729 601039176 /nfs/dbraw/zinc/03/91/76/601039176.db2.gz XQRKZYBBQPKBCC-UHFFFAOYSA-N -1 0 330.409 3.603 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CC[C@@H](Cc3ccccc3)C2)c(F)c1 ZINC000833319724 601045638 /nfs/dbraw/zinc/04/56/38/601045638.db2.gz NVFJQVYNWGRHAJ-AWEZNQCLSA-N -1 0 342.370 3.620 20 0 EHADRM C[C@H]1CCC[C@H](C)N(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C1 ZINC000828238483 601050195 /nfs/dbraw/zinc/05/01/95/601050195.db2.gz HULMSEKQPHVWLG-KBPBESRZSA-N -1 0 333.432 3.839 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000339350150 601055454 /nfs/dbraw/zinc/05/54/54/601055454.db2.gz YBFSGQALVKCAQM-MWODSPESSA-N -1 0 332.227 3.712 20 0 EHADRM COc1ccc2sc(C(=O)N3CCC(CC(=O)[O-])CC3)c(C)c2c1 ZINC000262381599 601056882 /nfs/dbraw/zinc/05/68/82/601056882.db2.gz CWIRXUVWGJTMJS-UHFFFAOYSA-N -1 0 347.436 3.545 20 0 EHADRM Cc1ccc(-c2cnc(COC(=O)c3ccc(C(=O)[O-])cc3)o2)cc1 ZINC000832907212 601057280 /nfs/dbraw/zinc/05/72/80/601057280.db2.gz OXHIUKUTZFMRIB-UHFFFAOYSA-N -1 0 337.331 3.705 20 0 EHADRM Cc1ccc(NC(=O)c2cc(-c3ccccc3F)on2)cc1C(=O)[O-] ZINC000676025433 601063331 /nfs/dbraw/zinc/06/33/31/601063331.db2.gz LTGZMTWLMNRASS-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(C(F)(F)F)nc2C)cc1C(=O)[O-] ZINC000237657139 601063522 /nfs/dbraw/zinc/06/35/22/601063522.db2.gz MIQDBDGPTFUFJA-UHFFFAOYSA-N -1 0 338.285 3.668 20 0 EHADRM O=C([O-])[C@H](OC(=O)/C=C/c1ccco1)c1ccc(Cl)cc1Cl ZINC000833095573 601064090 /nfs/dbraw/zinc/06/40/90/601064090.db2.gz UJFYPWBREKEBOM-YVARQFDVSA-N -1 0 341.146 3.969 20 0 EHADRM Cc1ccc(NC(=O)Cc2ccccc2OC(C)C)cc1C(=O)[O-] ZINC000236666669 601064780 /nfs/dbraw/zinc/06/47/80/601064780.db2.gz CDSHKFVALYIBBA-UHFFFAOYSA-N -1 0 327.380 3.662 20 0 EHADRM O=C([O-])[C@@H](OC(=O)/C=C/Sc1ccccc1)c1ccccc1F ZINC000833093170 601069719 /nfs/dbraw/zinc/06/97/19/601069719.db2.gz UKNXSCZRYPSKKJ-OFAQMXQXSA-N -1 0 332.352 3.801 20 0 EHADRM CCCn1ccc2ccc(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc21 ZINC000829585352 601071140 /nfs/dbraw/zinc/07/11/40/601071140.db2.gz QFJCOBZFZBJUJB-OAHLLOKOSA-N -1 0 345.443 3.920 20 0 EHADRM O=C([O-])[C@H](OC(=O)CSC(F)F)c1ccc(Cl)cc1Cl ZINC000833115097 601075094 /nfs/dbraw/zinc/07/50/94/601075094.db2.gz XNHRHAGJXMDJAX-SECBINFHSA-N -1 0 345.150 3.618 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000833224786 601074680 /nfs/dbraw/zinc/07/46/80/601074680.db2.gz JHGLLYTUMUZVQI-UHFFFAOYSA-N -1 0 332.322 3.558 20 0 EHADRM Cc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)n1C ZINC000832917833 601076900 /nfs/dbraw/zinc/07/69/00/601076900.db2.gz AZLBMQZHFGMTGZ-CYBMUJFWSA-N -1 0 342.178 3.623 20 0 EHADRM COc1ccc(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)c(C)c1 ZINC000832178991 601079967 /nfs/dbraw/zinc/07/99/67/601079967.db2.gz NXCILYROVKDCII-UHFFFAOYSA-N -1 0 348.424 3.708 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)/C=C/c1cccs1 ZINC000833177819 601082707 /nfs/dbraw/zinc/08/27/07/601082707.db2.gz RPEBUQMHRXUYNN-IVFUDNFBSA-N -1 0 333.453 3.643 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1ccc(Cl)s1 ZINC000833181087 601085963 /nfs/dbraw/zinc/08/59/63/601085963.db2.gz ZMNNYDNKIWJCBA-NEPJUHHUSA-N -1 0 341.860 3.897 20 0 EHADRM CN(Cc1ccccc1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000275075547 601088380 /nfs/dbraw/zinc/08/83/80/601088380.db2.gz XLYOFZOFOHQTSJ-UHFFFAOYSA-N -1 0 326.396 3.713 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NCc2ccccc2F)cc1 ZINC000325481173 601091470 /nfs/dbraw/zinc/09/14/70/601091470.db2.gz XNYROOURQRPQNG-UHFFFAOYSA-N -1 0 330.359 3.510 20 0 EHADRM O=C([O-])c1ccc(CCNc2nc(-c3ccccc3)ns2)cc1 ZINC000740123795 601093178 /nfs/dbraw/zinc/09/31/78/601093178.db2.gz MNHKPBZMCHNMPJ-UHFFFAOYSA-N -1 0 325.393 3.558 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)o1 ZINC000325369570 601095615 /nfs/dbraw/zinc/09/56/15/601095615.db2.gz SAHJJTUNHMLDOX-LBPRGKRZSA-N -1 0 330.384 3.833 20 0 EHADRM Cn1ccc2ccc(NC(=O)N[C@H](CC(=O)[O-])c3ccccc3)cc21 ZINC000833055099 601098570 /nfs/dbraw/zinc/09/85/70/601098570.db2.gz BUVYNZYQMZOUQA-MRXNPFEDSA-N -1 0 337.379 3.516 20 0 EHADRM C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)[C@@H]1c1cccc(F)c1 ZINC000245737749 601107698 /nfs/dbraw/zinc/10/76/98/601107698.db2.gz RBJIJOVBJQYGTI-MMTVNHQJSA-N -1 0 333.403 3.626 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)NCC2CCC(C(F)(F)F)CC2)c1 ZINC000833289940 601111106 /nfs/dbraw/zinc/11/11/06/601111106.db2.gz MPPNSYISUCUHLI-UHFFFAOYSA-N -1 0 344.333 3.875 20 0 EHADRM O=C([O-])c1ccc(-c2ccc(C(=O)OCCOCC3CC3)cc2)cc1 ZINC000833309109 601115356 /nfs/dbraw/zinc/11/53/56/601115356.db2.gz ZLTHXFKGIIDFSL-UHFFFAOYSA-N -1 0 340.375 3.635 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000827586999 601122441 /nfs/dbraw/zinc/12/24/41/601122441.db2.gz YJPNQEKXMITUKB-BDJLRTHQSA-N -1 0 334.318 3.513 20 0 EHADRM CCOc1ccc2nc(-c3ccc(NCC(=O)[O-])cc3)sc2c1 ZINC000830094565 601122930 /nfs/dbraw/zinc/12/29/30/601122930.db2.gz MYJSCDAWMARBGF-UHFFFAOYSA-N -1 0 328.393 3.859 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1sc2ccccc2c1Cl)c1ccccn1 ZINC000739373104 601123564 /nfs/dbraw/zinc/12/35/64/601123564.db2.gz UPGQSYMCSFEIHH-ZDUSSCGKSA-N -1 0 346.795 3.505 20 0 EHADRM CC[C@H](CC(=O)N(CC)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC000736892229 601125107 /nfs/dbraw/zinc/12/51/07/601125107.db2.gz LHTXYKIPCJPQPS-GFCCVEGCSA-N -1 0 332.425 3.778 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)NC3(CC(=O)[O-])CCC3)cc2s1 ZINC000649539429 601126701 /nfs/dbraw/zinc/12/67/01/601126701.db2.gz UWQKNQWSIIEWKL-UHFFFAOYSA-N -1 0 347.440 3.939 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)N2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000833262272 601129144 /nfs/dbraw/zinc/12/91/44/601129144.db2.gz BVYTUVVQIVSRDS-GASCZTMLSA-N -1 0 348.468 3.658 20 0 EHADRM CCC(CC)N(C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)C1CC1 ZINC000828859057 601130376 /nfs/dbraw/zinc/13/03/76/601130376.db2.gz NFZYMRMJSOGWBF-UHFFFAOYSA-N -1 0 333.432 3.981 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N[C@@](C)(CC)CC(=O)[O-] ZINC000829014086 601133594 /nfs/dbraw/zinc/13/35/94/601133594.db2.gz BGFHINWFNFBBGY-BEFAXECRSA-N -1 0 335.444 3.727 20 0 EHADRM Cc1cc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])c(F)cc1F ZINC000832860335 601137478 /nfs/dbraw/zinc/13/74/78/601137478.db2.gz NUFMWVCVAMGIOF-CYBMUJFWSA-N -1 0 347.361 3.636 20 0 EHADRM Cc1ccc(NC(=O)N2CCc3sccc3[C@H]2C)cc1C(=O)[O-] ZINC000320756788 601141075 /nfs/dbraw/zinc/14/10/75/601141075.db2.gz XSXVSJCIDIEISJ-LLVKDONJSA-N -1 0 330.409 3.906 20 0 EHADRM CCCc1cc(C(=O)N(CC(=O)[O-])c2cccc(F)c2)sc1C ZINC000829562767 601142044 /nfs/dbraw/zinc/14/20/44/601142044.db2.gz WCBMSWVIXURDLH-UHFFFAOYSA-N -1 0 335.400 3.880 20 0 EHADRM Cc1ccc(NC(=O)N2CC[C@@H](Cc3ccccc3)C2)cc1C(=O)[O-] ZINC000832946406 601142654 /nfs/dbraw/zinc/14/26/54/601142654.db2.gz VKTCALGVEAOOKD-INIZCTEOSA-N -1 0 338.407 3.790 20 0 EHADRM O=C([O-])c1ccc(C(=O)Oc2ccc(-c3cscn3)cc2)s1 ZINC000833312425 601144103 /nfs/dbraw/zinc/14/41/03/601144103.db2.gz UBFBTRQCZAOXEV-UHFFFAOYSA-N -1 0 331.374 3.789 20 0 EHADRM O=C([O-])CN(C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)c1cccc(F)c1 ZINC000833242581 601144239 /nfs/dbraw/zinc/14/42/39/601144239.db2.gz SAAAEDDFVHMBNL-JKSUJKDBSA-N -1 0 347.773 3.700 20 0 EHADRM C[C@H]1CCN(C(=O)NCCCCCC(=O)[O-])[C@H]1c1cccc(F)c1 ZINC000414620089 601148139 /nfs/dbraw/zinc/14/81/39/601148139.db2.gz CIIYRVSWLGESRW-SUMWQHHRSA-N -1 0 336.407 3.563 20 0 EHADRM Cc1ccc(CCCC(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])s1 ZINC000262040151 601150132 /nfs/dbraw/zinc/15/01/32/601150132.db2.gz AEYYGCBCVGAWCC-IMJJTQAJSA-N -1 0 335.469 3.624 20 0 EHADRM C[C@H](CC(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-])c1cccc(F)c1 ZINC000237402747 601165428 /nfs/dbraw/zinc/16/54/28/601165428.db2.gz AQGLBPRRZVOZSG-PJIJBLCYSA-N -1 0 343.398 3.898 20 0 EHADRM CSc1ccsc1C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832790770 601167034 /nfs/dbraw/zinc/16/70/34/601167034.db2.gz RVKKYFBTKUAVMP-ZWNOBZJWSA-N -1 0 335.450 3.662 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)/C=C/Sc1ccccc1)c1ccccc1 ZINC000826027034 601167477 /nfs/dbraw/zinc/16/74/77/601167477.db2.gz TZQJTVRSWVRMBR-RMCBBKKWSA-N -1 0 341.432 3.871 20 0 EHADRM CSc1ccccc1C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000507318923 601170901 /nfs/dbraw/zinc/17/09/01/601170901.db2.gz NWYCRLBBTFDSTP-MLGOLLRUSA-N -1 0 329.421 3.600 20 0 EHADRM C/C(=C/C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-])c1cccc(F)c1 ZINC000237750713 601170994 /nfs/dbraw/zinc/17/09/94/601170994.db2.gz RVISNECSXBXIPB-RNKZCZGJSA-N -1 0 341.382 3.807 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000828899912 601172633 /nfs/dbraw/zinc/17/26/33/601172633.db2.gz CITCYCFVATZOKH-SUMDDJOVSA-N -1 0 339.435 3.834 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000571977575 601187109 /nfs/dbraw/zinc/18/71/09/601187109.db2.gz NTERHDPXFXSFOL-UHFFFAOYSA-N -1 0 342.395 3.557 20 0 EHADRM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000828162302 601193276 /nfs/dbraw/zinc/19/32/76/601193276.db2.gz VXRMSGWSJXSGPC-DOMZBBRYSA-N -1 0 333.432 3.791 20 0 EHADRM Cc1cnc(C(C)(C)NC(=O)Nc2cccc(C(=O)[O-])c2C)s1 ZINC000832985237 601197257 /nfs/dbraw/zinc/19/72/57/601197257.db2.gz JUOUNKAYERICIR-UHFFFAOYSA-N -1 0 333.413 3.515 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C/C=C\c1ccc(F)cc1 ZINC000485910518 601198012 /nfs/dbraw/zinc/19/80/12/601198012.db2.gz WMEGEXVZIVATGL-IHWYPQMZSA-N -1 0 343.354 3.640 20 0 EHADRM COc1ccc(NC(=O)C/C=C\c2ccc(F)cc2)c(C(=O)[O-])c1 ZINC000564138868 601199624 /nfs/dbraw/zinc/19/96/24/601199624.db2.gz MHYDATYQBIVGMT-IHWYPQMZSA-N -1 0 329.327 3.575 20 0 EHADRM Cc1ccccc1Cc1noc(CNc2cc(C(=O)[O-])ccc2C)n1 ZINC000832977971 601208282 /nfs/dbraw/zinc/20/82/82/601208282.db2.gz BIYPFEIXTODMRK-UHFFFAOYSA-N -1 0 337.379 3.588 20 0 EHADRM O=C([O-])c1sc(N2CCC[C@H]2Cc2cccc(F)c2)nc1Cl ZINC000833347254 601209416 /nfs/dbraw/zinc/20/94/16/601209416.db2.gz ZYJLYHYGYBRTFZ-NSHDSACASA-N -1 0 340.807 3.845 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)OCc2nc(-c3ccccc3)cs2)C1 ZINC000833186373 601237992 /nfs/dbraw/zinc/23/79/92/601237992.db2.gz DGKKJFIIQAKIOH-ZIAGYGMSSA-N -1 0 345.420 3.744 20 0 EHADRM COc1ccc(OC)c([C@@H](C)Nc2nc(Cl)c(C(=O)[O-])s2)c1 ZINC000832431687 601245968 /nfs/dbraw/zinc/24/59/68/601245968.db2.gz SMJLEOBJBTVCEH-SSDOTTSWSA-N -1 0 342.804 3.685 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)c1ccnc(C(=O)[O-])c1 ZINC000236934036 601246097 /nfs/dbraw/zinc/24/60/97/601246097.db2.gz XRERIPAMNUMRIT-UHFFFAOYSA-N -1 0 336.800 3.798 20 0 EHADRM COc1ccc([C@H](C)N(C)c2nc(Cl)c(C(=O)[O-])s2)cc1 ZINC000832221004 601248520 /nfs/dbraw/zinc/24/85/20/601248520.db2.gz PXSRUHHCTUSBQV-QMMMGPOBSA-N -1 0 326.805 3.701 20 0 EHADRM C[C@H](NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000237636020 601249111 /nfs/dbraw/zinc/24/91/11/601249111.db2.gz PTFJYXBONIAJOP-JTQLQIEISA-N -1 0 337.297 3.575 20 0 EHADRM CCC1CCC(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)(C(=O)[O-])CC1 ZINC000325218838 601277048 /nfs/dbraw/zinc/27/70/48/601277048.db2.gz APUHBXPWKSWVBS-WULFKBJJSA-N -1 0 349.393 3.895 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cscc2C)cc1 ZINC000237364051 601282880 /nfs/dbraw/zinc/28/28/80/601282880.db2.gz WWBZOAWDMKGOCF-AWEZNQCLSA-N -1 0 335.450 3.724 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)C/C=C\c2cccc(F)c2)cc1 ZINC000532009602 601283565 /nfs/dbraw/zinc/28/35/65/601283565.db2.gz SXPRZYJSGQNNQB-RQOWECAXSA-N -1 0 327.355 3.885 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)c2cccc3[nH]ccc32)cc1 ZINC000238023955 601285196 /nfs/dbraw/zinc/28/51/96/601285196.db2.gz CHYYENFBANQHCS-UHFFFAOYSA-N -1 0 338.363 3.664 20 0 EHADRM CC(C)[C@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1ccccc1Cl ZINC000236766069 601287563 /nfs/dbraw/zinc/28/75/63/601287563.db2.gz ZMNWDCKCVNHKQV-HNNXBMFYSA-N -1 0 332.787 3.560 20 0 EHADRM COc1ccc(Cl)cc1C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832362494 601297341 /nfs/dbraw/zinc/29/73/41/601297341.db2.gz KJWXCPPOHDUADB-MEDUHNTESA-N -1 0 347.798 3.540 20 0 EHADRM CO[C@@H](C)c1nc(CN(Cc2ccccc2)C[C@H](C)C(=O)[O-])cs1 ZINC000570168040 601305101 /nfs/dbraw/zinc/30/51/01/601305101.db2.gz FSEBECCOYNKEGC-KBPBESRZSA-N -1 0 348.468 3.573 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)CCCc1c[nH]c2ccccc12 ZINC000262161054 601308036 /nfs/dbraw/zinc/30/80/36/601308036.db2.gz MXBLCIQHLKSLST-UHFFFAOYSA-N -1 0 330.428 3.640 20 0 EHADRM CSc1cccc(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000832790882 601308516 /nfs/dbraw/zinc/30/85/16/601308516.db2.gz ZQYRXWBVSUVAFT-HNNXBMFYSA-N -1 0 348.399 3.885 20 0 EHADRM Cn1cc(NC(=O)[C@H]2C[C@H]2c2cccc3ccccc32)cc1C(=O)[O-] ZINC000833045799 601312993 /nfs/dbraw/zinc/31/29/93/601312993.db2.gz ORNNARIDMYBQSF-IRXDYDNUSA-N -1 0 334.375 3.619 20 0 EHADRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])n(C)c2)c(C)n1C1CCCCC1 ZINC000832865063 601320939 /nfs/dbraw/zinc/32/09/39/601320939.db2.gz LOUQPNKRWZAHLE-UHFFFAOYSA-N -1 0 343.427 3.899 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000828201697 601336646 /nfs/dbraw/zinc/33/66/46/601336646.db2.gz UZENCXAHSLOXJP-UKPHBRMFSA-N -1 0 345.443 3.981 20 0 EHADRM O=C([O-])Nc1ccccc1OCc1ccn(-c2ccc(F)cc2)n1 ZINC000833287969 601368182 /nfs/dbraw/zinc/36/81/82/601368182.db2.gz PWWWDGVBPDAIQT-UHFFFAOYSA-N -1 0 327.315 3.680 20 0 EHADRM Cc1c(C)n(C2CCCCC2)c(=S)n1CN(CC(=O)[O-])C1CC1 ZINC000738192067 601376458 /nfs/dbraw/zinc/37/64/58/601376458.db2.gz RZINCIXVZKKEAJ-UHFFFAOYSA-N -1 0 337.489 3.648 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1cc(OC)ccc1OC(F)F ZINC000830379346 601390395 /nfs/dbraw/zinc/39/03/95/601390395.db2.gz SHSAFOZTJTWIKZ-UHFFFAOYSA-N -1 0 341.310 3.762 20 0 EHADRM COc1ccc(NCc2cc(C(=O)[O-])oc2C)cc1Br ZINC000234944569 601390744 /nfs/dbraw/zinc/39/07/44/601390744.db2.gz DHSCBAAVMOTKTN-UHFFFAOYSA-N -1 0 340.173 3.669 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN[C@H](c1nccs1)c1ccccc1 ZINC000830375724 601390983 /nfs/dbraw/zinc/39/09/83/601390983.db2.gz RYDFFSUYZZETHX-INIZCTEOSA-N -1 0 342.420 3.876 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CNc1ccc(C(=O)NCC(C)C)cc1C ZINC000832863589 601391696 /nfs/dbraw/zinc/39/16/96/601391696.db2.gz QSORHZOMCHAULG-UHFFFAOYSA-N -1 0 344.411 3.593 20 0 EHADRM C[C@H](CC(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-])c1ccccc1 ZINC000237402774 601394233 /nfs/dbraw/zinc/39/42/33/601394233.db2.gz SXQIWVMLBWGPCC-SPYBWZPUSA-N -1 0 325.408 3.758 20 0 EHADRM C/C(=C\C(=O)Nc1ccc(OCC(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000825725077 601394850 /nfs/dbraw/zinc/39/48/50/601394850.db2.gz ZXMFGWNSIRJHNJ-FMIVXFBMSA-N -1 0 345.782 3.845 20 0 EHADRM C/C(=C/COC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)[O-] ZINC000825786464 601406610 /nfs/dbraw/zinc/40/66/10/601406610.db2.gz JXECIGITDOXKRF-DAXSKMNVSA-N -1 0 328.748 3.882 20 0 EHADRM Cc1[nH]ccc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000630130341 601409448 /nfs/dbraw/zinc/40/94/48/601409448.db2.gz QGYDLSVNWFGVAD-INIZCTEOSA-N -1 0 328.412 3.566 20 0 EHADRM Cc1cc([C@H](C)NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)ccc1F ZINC000832872163 601426133 /nfs/dbraw/zinc/42/61/33/601426133.db2.gz ZAZPVTLEWDGNBS-ZDUSSCGKSA-N -1 0 344.386 3.735 20 0 EHADRM CC[C@H](CNC(=O)c1cccc(NC(=O)[O-])c1)Oc1ccccc1C ZINC000828884711 601427459 /nfs/dbraw/zinc/42/74/59/601427459.db2.gz ZZMKFBGSDQLSIF-MRXNPFEDSA-N -1 0 342.395 3.672 20 0 EHADRM O=C([O-])CC1(NC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)CCC1 ZINC000262504415 601435698 /nfs/dbraw/zinc/43/56/98/601435698.db2.gz OAWLRSDQUZNFAH-UHFFFAOYSA-N -1 0 341.194 3.602 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Oc2cc(OC)ccc2C(=O)[O-])cc1 ZINC000832220892 601440612 /nfs/dbraw/zinc/44/06/12/601440612.db2.gz KSTLUPLSVLTRTP-GFCCVEGCSA-N -1 0 344.363 3.501 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)Nc2nc(C)c(C(=O)[O-])s2)cc1 ZINC000828764747 601441167 /nfs/dbraw/zinc/44/11/67/601441167.db2.gz NBIMWHAPOCOMRQ-SECBINFHSA-N -1 0 334.397 3.579 20 0 EHADRM Cc1cccnc1C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC000832983548 601446373 /nfs/dbraw/zinc/44/63/73/601446373.db2.gz KDBZFSYOXAEUMU-UHFFFAOYSA-N -1 0 330.409 3.671 20 0 EHADRM O=C([O-])c1cc(NCc2noc(Cc3ccccc3)n2)ccc1Cl ZINC000833299565 601446878 /nfs/dbraw/zinc/44/68/78/601446878.db2.gz ADOYKUZGDBZMQC-UHFFFAOYSA-N -1 0 343.770 3.624 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)Nc2cccc(F)c2C(=O)[O-])cc1 ZINC000828765084 601447729 /nfs/dbraw/zinc/44/77/29/601447729.db2.gz VMXVSSTUOXJUDC-NSHDSACASA-N -1 0 331.343 3.954 20 0 EHADRM Cc1ccc(NC(=O)Cc2coc3cc(F)ccc23)cc1C(=O)[O-] ZINC000832943880 601452943 /nfs/dbraw/zinc/45/29/43/601452943.db2.gz LXMYCPXOVPJQEF-UHFFFAOYSA-N -1 0 327.311 3.760 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F ZINC000237101248 601460165 /nfs/dbraw/zinc/46/01/65/601460165.db2.gz SLKAYHFQZAKGLV-BDJLRTHQSA-N -1 0 345.361 3.959 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)Cc1c(C)[nH]c2ccccc21 ZINC000830387965 601461365 /nfs/dbraw/zinc/46/13/65/601461365.db2.gz BXGDLDXXKKFDQF-UHFFFAOYSA-N -1 0 341.363 3.616 20 0 EHADRM C[C@H](OC(=O)c1cn(C)nc1C1CCCCC1)c1ccc(C(=O)[O-])o1 ZINC000827868644 601463662 /nfs/dbraw/zinc/46/36/62/601463662.db2.gz YBDNSTZSWAZSLZ-NSHDSACASA-N -1 0 346.383 3.677 20 0 EHADRM CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000830158322 601479604 /nfs/dbraw/zinc/47/96/04/601479604.db2.gz UCYSQVBDGWZJHT-ZIAGYGMSSA-N -1 0 337.445 3.962 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)Nc2ccc(CCC(F)(F)F)cc2)C1 ZINC000263064960 601487681 /nfs/dbraw/zinc/48/76/81/601487681.db2.gz PCJWQURFJKZOPO-LBPRGKRZSA-N -1 0 344.333 3.510 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)/C=C/c1ccc(Cl)s1 ZINC000321407328 601490139 /nfs/dbraw/zinc/49/01/39/601490139.db2.gz AXBUVYHQEMRVQF-BVBGJJFLSA-N -1 0 347.823 3.625 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)C/C=C/c1ccc(C)cc1 ZINC000831913539 601498784 /nfs/dbraw/zinc/49/87/84/601498784.db2.gz RRDCVSFYWUONPD-ONEGZZNKSA-N -1 0 326.348 3.711 20 0 EHADRM Cc1ccc(/C=C/CC(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1 ZINC000832927982 601500011 /nfs/dbraw/zinc/50/00/11/601500011.db2.gz FMKBFQOXUQSTJW-NSCUHMNNSA-N -1 0 325.364 3.500 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N(CC(F)F)c2cccc(Cl)c2)C1 ZINC000833181811 601506853 /nfs/dbraw/zinc/50/68/53/601506853.db2.gz LGYYUAMTLYOKQW-WDEREUQCSA-N -1 0 345.773 3.829 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(Oc2ccc(F)cc2)cc1)C1CC1 ZINC000833200544 601520569 /nfs/dbraw/zinc/52/05/69/601520569.db2.gz UHFNTPDDCDSIJQ-QGZVFWFLSA-N -1 0 343.354 3.601 20 0 EHADRM Cc1ccc(NC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)cc1C ZINC000237655829 601525361 /nfs/dbraw/zinc/52/53/61/601525361.db2.gz JWFJMLYVEWVSQF-UHFFFAOYSA-N -1 0 327.380 3.636 20 0 EHADRM CC(C)c1ccc(-c2ncc(CN3CC[C@@](F)(C(=O)[O-])C3)s2)cc1 ZINC000827112402 601551168 /nfs/dbraw/zinc/55/11/68/601551168.db2.gz GWTRRPUQHUNKGW-SFHVURJKSA-N -1 0 348.443 3.932 20 0 EHADRM O=C([O-])CCCCNC(=O)N1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000666558634 601555490 /nfs/dbraw/zinc/55/54/90/601555490.db2.gz IVRHAERYMKDHON-HWOXTHGCSA-N -1 0 344.455 3.909 20 0 EHADRM C[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccccc1F ZINC000345768260 601583225 /nfs/dbraw/zinc/58/32/25/601583225.db2.gz CQKLHNZMFDJYOA-ZUZCIYMTSA-N -1 0 335.762 3.525 20 0 EHADRM O=C([O-])[C@@H](NC(=O)C/C=C\c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000540666261 601584590 /nfs/dbraw/zinc/58/45/90/601584590.db2.gz BAVSAKIWARPYIN-MMTGSJLXSA-N -1 0 347.773 3.825 20 0 EHADRM O=C([O-])C1(CNC(=O)CCc2ccc(Cl)cc2Cl)CCCC1 ZINC000316559777 601597655 /nfs/dbraw/zinc/59/76/55/601597655.db2.gz DWCJVBZEZJTKQN-UHFFFAOYSA-N -1 0 344.238 3.687 20 0 EHADRM O=C([O-])[C@@H](OC(=O)Cc1ccc(F)cc1F)c1cccc(Cl)c1 ZINC000833118479 601600592 /nfs/dbraw/zinc/60/05/92/601600592.db2.gz NAKXWBABFJIOMV-HNNXBMFYSA-N -1 0 340.709 3.530 20 0 EHADRM C[C@@H](C(=O)NCC1(C(=O)[O-])CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000676025219 601601974 /nfs/dbraw/zinc/60/19/74/601601974.db2.gz ORXQGKFLQRYMCY-SNVBAGLBSA-N -1 0 344.238 3.858 20 0 EHADRM Cc1ccc2cccc(C(=O)N[C@H](c3ccccc3)[C@H](C)C(=O)[O-])c2n1 ZINC000190856579 601609898 /nfs/dbraw/zinc/60/98/98/601609898.db2.gz YIHHLICKGFZPGG-KSSFIOAISA-N -1 0 348.402 3.735 20 0 EHADRM C[C@@H](CSc1ccc(F)cc1)C(=O)OCc1occc1C(=O)[O-] ZINC000827582166 601609954 /nfs/dbraw/zinc/60/99/54/601609954.db2.gz ZZLJHJDZSJEJTC-JTQLQIEISA-N -1 0 338.356 3.589 20 0 EHADRM CCOc1ccc(NC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000830085588 601614398 /nfs/dbraw/zinc/61/43/98/601614398.db2.gz ZCOZWCYVEPODEO-CXAGYDPISA-N -1 0 342.395 3.669 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Nc1ccccc1Oc1ccccc1)C1CC1 ZINC000327065618 601614897 /nfs/dbraw/zinc/61/48/97/601614897.db2.gz YSMOAWOTYZCEGM-INIZCTEOSA-N -1 0 340.379 3.854 20 0 EHADRM O=C([O-])c1cccc(OCc2noc(-c3cc(F)cc(Cl)c3)n2)c1 ZINC000833333753 601615689 /nfs/dbraw/zinc/61/56/89/601615689.db2.gz XTEAMEDRUURYGG-UHFFFAOYSA-N -1 0 348.717 3.806 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Nc1cc(F)cc(F)c1)c1ccccc1 ZINC000826038219 601616111 /nfs/dbraw/zinc/61/61/11/601616111.db2.gz DEYSTPWRDASASY-MEBBXXQBSA-N -1 0 334.322 3.548 20 0 EHADRM Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000237750503 601616902 /nfs/dbraw/zinc/61/69/02/601616902.db2.gz NTZWONHLYOMHDK-UHFFFAOYSA-N -1 0 338.338 3.562 20 0 EHADRM C[C@H](c1ccco1)N(C(=O)Nc1ccc(F)c(C(=O)[O-])c1)C1CC1 ZINC000827955784 601619467 /nfs/dbraw/zinc/61/94/67/601619467.db2.gz COZULZZFUIYDMK-SNVBAGLBSA-N -1 0 332.331 3.874 20 0 EHADRM CCOc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000345890749 601622186 /nfs/dbraw/zinc/62/21/86/601622186.db2.gz RSTFEVDDNXODNF-INIZCTEOSA-N -1 0 347.798 3.685 20 0 EHADRM CN(Cc1ccc(NC(=O)N2CCC[C@@H]3CCC[C@H]32)cc1)C(=O)[O-] ZINC000830835494 601625086 /nfs/dbraw/zinc/62/50/86/601625086.db2.gz GQNWABUTTKWVQH-GOEBONIOSA-N -1 0 331.416 3.593 20 0 EHADRM CCc1nc(NC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])sc1C ZINC000830318067 601627124 /nfs/dbraw/zinc/62/71/24/601627124.db2.gz MCWNOPIKFBLFBK-HZMBPMFUSA-N -1 0 347.440 3.597 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Nc1cccc(CCC(F)(F)F)c1)C1CC1 ZINC000833199585 601628811 /nfs/dbraw/zinc/62/88/11/601628811.db2.gz UIRBEKAONQUPEW-ZDUSSCGKSA-N -1 0 344.333 3.556 20 0 EHADRM O=C([O-])[C@H]1CCCCN1C(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000238056649 601628816 /nfs/dbraw/zinc/62/88/16/601628816.db2.gz NAMLRFYNRDVXPD-OAHLLOKOSA-N -1 0 341.432 3.593 20 0 EHADRM O=C([O-])c1ccc(CN2CCc3[nH]c4ccc(F)cc4c3C2)cc1F ZINC000833315240 601630235 /nfs/dbraw/zinc/63/02/35/601630235.db2.gz XPJNOFPTOYMBPI-UHFFFAOYSA-N -1 0 342.345 3.703 20 0 EHADRM CCCCC[C@H](NC(=O)c1sc(C(C)(C)C)nc1C)C(=O)[O-] ZINC000776662442 601640001 /nfs/dbraw/zinc/64/00/01/601640001.db2.gz JUQGFQYUCOEQQC-NSHDSACASA-N -1 0 326.462 3.512 20 0 EHADRM Cc1nc(CC(C)C)c(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)s1 ZINC000761661617 601644705 /nfs/dbraw/zinc/64/47/05/601644705.db2.gz DJOLIHYISXDESB-UHFFFAOYSA-N -1 0 336.388 3.740 20 0 EHADRM CCCCC[C@H](NC(=O)c1oc2ccc(OC)cc2c1C)C(=O)[O-] ZINC000236684884 601647128 /nfs/dbraw/zinc/64/71/28/601647128.db2.gz GBPIBETZQWKHIG-AWEZNQCLSA-N -1 0 333.384 3.513 20 0 EHADRM CN(C(=O)C=C1CCC1)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000830464450 601673140 /nfs/dbraw/zinc/67/31/40/601673140.db2.gz JGBQZMRJTMOOFM-CQSZACIVSA-N -1 0 328.195 3.688 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)[C@@H]1C[C@@H]1Cc1ccccc1)c1ccccc1 ZINC000833223534 601675646 /nfs/dbraw/zinc/67/56/46/601675646.db2.gz QCBVDOLYJNZJKH-OTWHNJEPSA-N -1 0 337.419 3.588 20 0 EHADRM CC[C@H](NC(=O)c1cccc(OCc2cccc(Cl)c2)c1)C(=O)[O-] ZINC000828976406 601675836 /nfs/dbraw/zinc/67/58/36/601675836.db2.gz OEIWJGQNBFBLDT-INIZCTEOSA-N -1 0 347.798 3.512 20 0 EHADRM Cc1cc(NC(=O)CCC(=O)c2ccc(F)c(F)c2)ccc1C(=O)[O-] ZINC000237697293 601677665 /nfs/dbraw/zinc/67/76/65/601677665.db2.gz UWCGGMVMYIPTFR-UHFFFAOYSA-N -1 0 347.317 3.573 20 0 EHADRM O=C([O-])CN(C(=O)c1cc(F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000156285219 601678970 /nfs/dbraw/zinc/67/89/70/601678970.db2.gz IJNSOOFBAXNYOR-UHFFFAOYSA-N -1 0 341.260 3.576 20 0 EHADRM COc1cc(C)c(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1OC ZINC000831961852 601679443 /nfs/dbraw/zinc/67/94/43/601679443.db2.gz NXTHATNUGGIQDE-UHFFFAOYSA-N -1 0 349.770 3.616 20 0 EHADRM CC(C)c1cccc(C(C)C)c1NC(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000827134348 601684165 /nfs/dbraw/zinc/68/41/65/601684165.db2.gz SJCWDOYSTPXXSE-SFHVURJKSA-N -1 0 336.407 3.964 20 0 EHADRM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000245709010 601689544 /nfs/dbraw/zinc/68/95/44/601689544.db2.gz MZPZDIXFMQQLLZ-ARFHVFGLSA-N -1 0 347.455 3.680 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2cccc(-c3nccs3)c2)CCCC1 ZINC000833136715 601699482 /nfs/dbraw/zinc/69/94/82/601699482.db2.gz WJKXAWQEGLTWIN-UHFFFAOYSA-N -1 0 345.424 3.577 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)NCC2(C(=O)[O-])CCCC2)c1 ZINC000392511629 601701494 /nfs/dbraw/zinc/70/14/94/601701494.db2.gz PKGDVXOJPGEZDJ-ZDUSSCGKSA-N -1 0 334.416 3.630 20 0 EHADRM Cc1cc2occ(CC(=O)NCC(C)(C)C(=O)[O-])c2cc1C(C)C ZINC000236622644 601707791 /nfs/dbraw/zinc/70/77/91/601707791.db2.gz BVUJYFDEWQWFGT-UHFFFAOYSA-N -1 0 331.412 3.634 20 0 EHADRM C[C@]1(c2ccccc2)CCN(C(=O)CCc2ccc(C(=O)[O-])cc2)C1 ZINC000450531333 601717229 /nfs/dbraw/zinc/71/72/29/601717229.db2.gz HVFHLTNVCQCBCS-NRFANRHFSA-N -1 0 337.419 3.508 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)[C@H]1C ZINC000828276530 601718405 /nfs/dbraw/zinc/71/84/05/601718405.db2.gz CMANKDYRDWXBJA-STQMWFEESA-N -1 0 336.457 3.657 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cccc2[nH]ccc21)c1cccc(Cl)c1 ZINC000833351997 601723224 /nfs/dbraw/zinc/72/32/24/601723224.db2.gz WTRKUIODTZPXQL-HNNXBMFYSA-N -1 0 329.739 3.804 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)C[C@@H]1CCOc2ccccc21 ZINC000833031793 601729764 /nfs/dbraw/zinc/72/97/64/601729764.db2.gz PNJKASSHGNUDMO-LBPRGKRZSA-N -1 0 346.404 3.754 20 0 EHADRM CS[C@H](C(=O)OCc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000832735199 601730739 /nfs/dbraw/zinc/73/07/39/601730739.db2.gz BIKFLJQGBHOTSO-HNNXBMFYSA-N -1 0 334.368 3.671 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1cccc2cnccc21 ZINC000833032838 601733499 /nfs/dbraw/zinc/73/34/99/601733499.db2.gz KWCYJRWMKPSYIH-UHFFFAOYSA-N -1 0 327.361 3.660 20 0 EHADRM O=C([O-])CCCc1csc(NC(=O)c2ccc3ccccc3c2)n1 ZINC000325193605 601744497 /nfs/dbraw/zinc/74/44/97/601744497.db2.gz FRBBYKLDWVVNLV-UHFFFAOYSA-N -1 0 340.404 3.956 20 0 EHADRM O=C([O-])[C@H](NC(=O)CCCCCc1cccs1)c1ccccc1F ZINC000678985043 601747151 /nfs/dbraw/zinc/74/71/51/601747151.db2.gz IQDAYZWNVYYHRO-QGZVFWFLSA-N -1 0 349.427 3.932 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1F)C(=O)[O-] ZINC000769561944 601753153 /nfs/dbraw/zinc/75/31/53/601753153.db2.gz LOWUINYRTNKMQQ-OAHLLOKOSA-N -1 0 335.762 3.739 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Cc1c[nH]c2cc(Cl)ccc12)C1CCCCC1 ZINC000833116876 601755283 /nfs/dbraw/zinc/75/52/83/601755283.db2.gz QVRNCNNIOZDRFK-KRWDZBQOSA-N -1 0 348.830 3.514 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)N[C@H](C(=O)[O-])C3CCCCC3)c2c1 ZINC000832959115 601755417 /nfs/dbraw/zinc/75/54/17/601755417.db2.gz PPRNQWMBNIEKNA-IBGZPJMESA-N -1 0 342.439 3.559 20 0 EHADRM Cc1nn(Cc2nc(-c3ccccc3)oc2C)c(C)c1[C@H](C)C(=O)[O-] ZINC000833021319 601779616 /nfs/dbraw/zinc/77/96/16/601779616.db2.gz IVWFTCNSVFJEQO-NSHDSACASA-N -1 0 339.395 3.700 20 0 EHADRM O=C([O-])Nc1cccc(NS(=O)(=O)c2cccc3ccccc32)c1 ZINC000833290697 601782880 /nfs/dbraw/zinc/78/28/80/601782880.db2.gz YNCXUFSDKNAQMT-UHFFFAOYSA-N -1 0 342.376 3.731 20 0 EHADRM CN(C)C(=O)Sc1cccc(CNc2cccc(F)c2C(=O)[O-])c1 ZINC000830569503 601787298 /nfs/dbraw/zinc/78/72/98/601787298.db2.gz NQRLTJKLKHVKJN-UHFFFAOYSA-N -1 0 348.399 3.910 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N2CCCC[C@H]2c2ncc[nH]2)c1 ZINC000833298030 601795307 /nfs/dbraw/zinc/79/53/07/601795307.db2.gz QTOZZYLGMHZBEL-ZDUSSCGKSA-N -1 0 348.790 3.520 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)Nc2cccc(C(=O)[O-])c2C)c1 ZINC000678975593 601800865 /nfs/dbraw/zinc/80/08/65/601800865.db2.gz LIOCUDSXSZVKPA-LBPRGKRZSA-N -1 0 327.380 3.834 20 0 EHADRM COc1cccc([C@H](C)CC(=O)Nc2cc(C(=O)[O-])ccc2F)c1 ZINC000237325314 601800914 /nfs/dbraw/zinc/80/09/14/601800914.db2.gz LVALQTCYPFASSZ-LLVKDONJSA-N -1 0 331.343 3.665 20 0 EHADRM C[C@@H](C(=O)Nc1nc(CC(=O)[O-])cs1)c1ccc2ccccc2c1 ZINC000826025669 601802393 /nfs/dbraw/zinc/80/23/93/601802393.db2.gz FINKQOPAACIUOH-LLVKDONJSA-N -1 0 340.404 3.666 20 0 EHADRM COc1cccc([C@H](C)CC(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC000479518793 601803074 /nfs/dbraw/zinc/80/30/74/601803074.db2.gz RLTLJTBFJYJWBT-LLVKDONJSA-N -1 0 331.343 3.665 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N[C@H](C2CCCCC2)C(F)(F)F)C1 ZINC000649465934 601805756 /nfs/dbraw/zinc/80/57/56/601805756.db2.gz XKKCUJRRIMIJRE-JHJVBQTASA-N -1 0 335.366 3.505 20 0 EHADRM C[C@H](NC(=O)CNc1cccc(C(=O)[O-])c1)c1ccc2ccccc2c1 ZINC000827636689 601807890 /nfs/dbraw/zinc/80/78/90/601807890.db2.gz NNTQMPVKWANIDW-AWEZNQCLSA-N -1 0 348.402 3.827 20 0 EHADRM C[C@@H]1CCC[C@@H](CCSCc2noc(CCCC(=O)[O-])n2)C1 ZINC000828238927 601812868 /nfs/dbraw/zinc/81/28/68/601812868.db2.gz LQPLPOYIOKJMJH-OLZOCXBDSA-N -1 0 326.462 3.927 20 0 EHADRM CCc1ccc(NC(=O)CSCc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000830253499 601814067 /nfs/dbraw/zinc/81/40/67/601814067.db2.gz BLBQFUWOUPWPLD-UHFFFAOYSA-N -1 0 347.411 3.958 20 0 EHADRM Cc1cc(CCCC(=O)N2CCC(CCC(=O)[O-])CC2)c(C)s1 ZINC000538585491 601816241 /nfs/dbraw/zinc/81/62/41/601816241.db2.gz AUZPLZCEZBFTMK-UHFFFAOYSA-N -1 0 337.485 3.791 20 0 EHADRM Cc1ccc2c(CC(=O)N3CCC(CCC(=O)[O-])CC3)coc2c1C ZINC000540781880 601816531 /nfs/dbraw/zinc/81/65/31/601816531.db2.gz DHIBYXKVKRRADU-UHFFFAOYSA-N -1 0 343.423 3.696 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)/C=C\c2ccc(Cl)s2)CC1 ZINC000220271460 601818108 /nfs/dbraw/zinc/81/81/08/601818108.db2.gz PHEQYDMWKWRXPX-HYXAFXHYSA-N -1 0 327.833 3.518 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)C(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC000537482234 601819690 /nfs/dbraw/zinc/81/96/90/601819690.db2.gz PSEGFWSIJJCOEK-HNNXBMFYSA-N -1 0 347.455 3.681 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)N2CCC(CCC(=O)[O-])CC2)c(C)c1 ZINC000659394439 601825326 /nfs/dbraw/zinc/82/53/26/601825326.db2.gz TVCQNZJLFIDAOB-OAHLLOKOSA-N -1 0 332.444 3.651 20 0 EHADRM Cc1ccc(C(C)(C)CNC(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000659397275 601826931 /nfs/dbraw/zinc/82/69/31/601826931.db2.gz YBTMZBRGQLVPQJ-UHFFFAOYSA-N -1 0 346.471 3.559 20 0 EHADRM CC(C)(CNC(=O)N1CCC(CCC(=O)[O-])CC1)Cc1ccccc1 ZINC000659397490 601827416 /nfs/dbraw/zinc/82/74/16/601827416.db2.gz JQASSLNWHOMKCP-UHFFFAOYSA-N -1 0 346.471 3.542 20 0 EHADRM COc1ccccc1[C@H](NCc1c[nH]c(C(=O)[O-])c1)c1ccccc1 ZINC000832596445 601833457 /nfs/dbraw/zinc/83/34/57/601833457.db2.gz PTOURNFQYZZZSF-LJQANCHMSA-N -1 0 336.391 3.601 20 0 EHADRM Cc1cc(F)c(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])cc1F ZINC000237489070 601852796 /nfs/dbraw/zinc/85/27/96/601852796.db2.gz PYWNBULCZZLLKG-ZDUSSCGKSA-N -1 0 347.361 3.636 20 0 EHADRM C[C@H](c1ccccc1)n1ccc(N[C@H](C(=O)[O-])c2ccccc2F)n1 ZINC000827949327 601853972 /nfs/dbraw/zinc/85/39/72/601853972.db2.gz KVOFCPKQMDRMAP-ACJLOTCBSA-N -1 0 339.370 3.869 20 0 EHADRM Cc1ccccc1C1(C(=O)Oc2ccc(SCC(=O)[O-])cc2)CC1 ZINC000832982279 601872184 /nfs/dbraw/zinc/87/21/84/601872184.db2.gz RBNNUZDVMXLBTC-UHFFFAOYSA-N -1 0 342.416 3.809 20 0 EHADRM Cc1cccc(C2(C(=O)Oc3ccc(SCC(=O)[O-])cc3)CC2)c1 ZINC000832966380 601873711 /nfs/dbraw/zinc/87/37/11/601873711.db2.gz UROURKBFAYRERX-UHFFFAOYSA-N -1 0 342.416 3.809 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC000827591860 601876269 /nfs/dbraw/zinc/87/62/69/601876269.db2.gz AWQWBDPLXPUJHN-GFCCVEGCSA-N -1 0 348.395 3.787 20 0 EHADRM Cc1cc(OC(C)C)ccc1NC(=O)C1CCC(NC(=O)[O-])CC1 ZINC000740089177 601876802 /nfs/dbraw/zinc/87/68/02/601876802.db2.gz OBNPQYUXAWFRAJ-UHFFFAOYSA-N -1 0 334.416 3.547 20 0 EHADRM CC1(C)CCCC[C@@H]1NC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000828065127 601881087 /nfs/dbraw/zinc/88/10/87/601881087.db2.gz OCPLTTUQFFDTGZ-HNNXBMFYSA-N -1 0 333.432 3.587 20 0 EHADRM O=C([O-])NC1CCC(C(=O)Nc2ccc(-c3ccccc3)cn2)CC1 ZINC000740556791 601882558 /nfs/dbraw/zinc/88/25/58/601882558.db2.gz DYGSUDNHLCBSCT-UHFFFAOYSA-N -1 0 339.395 3.514 20 0 EHADRM C[C@@H]1CN(Cc2ccc(C(=O)[O-])c(F)c2)C[C@H](c2ccsc2)O1 ZINC000828457329 601885118 /nfs/dbraw/zinc/88/51/18/601885118.db2.gz SNETVVHBSBCISO-BDJLRTHQSA-N -1 0 335.400 3.547 20 0 EHADRM CC[C@H](C)Oc1ccc(NC(=O)[C@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000739248775 601899097 /nfs/dbraw/zinc/89/90/97/601899097.db2.gz KDFHEURYEZOQPL-SUMWQHHRSA-N -1 0 342.395 3.811 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)c1cccc(F)c1Cl ZINC000262142744 601903006 /nfs/dbraw/zinc/90/30/06/601903006.db2.gz SFIKTZKLQDSEQR-MFKMUULPSA-N -1 0 327.783 3.633 20 0 EHADRM O=C([O-])NC1CCC(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000740554348 601905593 /nfs/dbraw/zinc/90/55/93/601905593.db2.gz VVUFYLTVDCAAOF-ZGUYJTEBSA-N -1 0 344.455 3.655 20 0 EHADRM COc1cccc(CCCNc2ccc(CN(C)C(=O)[O-])cc2)c1 ZINC000832549914 601909426 /nfs/dbraw/zinc/90/94/26/601909426.db2.gz XFHNAIGYSVADDQ-UHFFFAOYSA-N -1 0 328.412 3.850 20 0 EHADRM CC[C@H](NC(=O)[O-])C(=O)N(Cc1ccccc1)[C@H](C)c1cccs1 ZINC000739520516 601928456 /nfs/dbraw/zinc/92/84/56/601928456.db2.gz FHFDULPPTXVRSM-HIFRSBDPSA-N -1 0 346.452 3.884 20 0 EHADRM O=C([O-])NC1CCC(C(=O)N2CCC[C@H]2CC2CCCCC2)CC1 ZINC000740550997 601935201 /nfs/dbraw/zinc/93/52/01/601935201.db2.gz FRPYUFNKSWKNRU-JCYILVPMSA-N -1 0 336.476 3.774 20 0 EHADRM CCO[C@H](C)c1nc(CN(C)Cc2ccc(C(=O)[O-])s2)cs1 ZINC000581195672 601959290 /nfs/dbraw/zinc/95/92/90/601959290.db2.gz GMETWUVILJGEQQ-SNVBAGLBSA-N -1 0 340.470 3.632 20 0 EHADRM Cc1cc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c(Cl)cc1F ZINC000237523709 601970571 /nfs/dbraw/zinc/97/05/71/601970571.db2.gz INRZHSFDCWDOEM-MEDUHNTESA-N -1 0 349.789 3.979 20 0 EHADRM Cc1cc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c(Cl)cc1F ZINC000237672646 601970615 /nfs/dbraw/zinc/97/06/15/601970615.db2.gz INRZHSFDCWDOEM-BDJLRTHQSA-N -1 0 349.789 3.979 20 0 EHADRM C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000828215111 601971365 /nfs/dbraw/zinc/97/13/65/601971365.db2.gz ZPEQKOMSZLIMHD-RKDXNWHRSA-N -1 0 345.226 3.503 20 0 EHADRM O=C([O-])[C@@H](Nc1cccc(CO)c1)c1cc(Cl)cc(Cl)c1 ZINC000833170654 601971631 /nfs/dbraw/zinc/97/16/31/601971631.db2.gz RTICMHFXAZYKGX-AWEZNQCLSA-N -1 0 326.179 3.724 20 0 EHADRM Cc1cc(C(=O)N[C@@H](C(=O)[O-])C2CCCCC2)c(Cl)cc1F ZINC000621586047 601976722 /nfs/dbraw/zinc/97/67/22/601976722.db2.gz QCGMZZYBIRQGAS-CQSZACIVSA-N -1 0 327.783 3.551 20 0 EHADRM Cc1ccc(-c2nnc(SCC3CCN(C(=O)[O-])CC3)o2)c(C)c1 ZINC000740099868 601977045 /nfs/dbraw/zinc/97/70/45/601977045.db2.gz UUXAQQIVNFTYME-UHFFFAOYSA-N -1 0 347.440 3.836 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)c1cccc(Cl)c1F ZINC000321847675 601981051 /nfs/dbraw/zinc/98/10/51/601981051.db2.gz UWDBHKRQPKEMGD-UHFFFAOYSA-N -1 0 333.746 3.770 20 0 EHADRM O=C([O-])[C@@H](OC(=O)[C@@H]1CC12CCC2)c1ccc(Cl)cc1Cl ZINC000833170549 601984094 /nfs/dbraw/zinc/98/40/94/601984094.db2.gz QKCYJGWLWOLQAK-JQWIXIFHSA-N -1 0 329.179 3.853 20 0 EHADRM CC[C@@H](C)[C@H](C)NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000828707272 601989271 /nfs/dbraw/zinc/98/92/71/601989271.db2.gz FIFGITTXSJQHIK-BDAKNGLRSA-N -1 0 332.322 3.960 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)N3CC[C@@](C)(C(=O)[O-])C3)cc2s1 ZINC000263468451 601992393 /nfs/dbraw/zinc/99/23/93/601992393.db2.gz GYECIRABEJRSQZ-QGZVFWFLSA-N -1 0 347.440 3.748 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cc(Cl)sc2Cl)cn1 ZINC000740712375 601996336 /nfs/dbraw/zinc/99/63/36/601996336.db2.gz QUQPXCXWKMYSSL-UHFFFAOYSA-N -1 0 332.168 3.792 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)CSc2ccccc2Cl)cn1 ZINC000740709613 601998387 /nfs/dbraw/zinc/99/83/87/601998387.db2.gz NYXVZWCWVVJREM-UHFFFAOYSA-N -1 0 337.788 3.556 20 0 EHADRM CN(C(=O)CCCC(C)(C)C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830472249 601999265 /nfs/dbraw/zinc/99/92/65/601999265.db2.gz PONALZQYJGYBDK-OAHLLOKOSA-N -1 0 345.361 3.904 20 0 EHADRM CN(C(=O)CCC(C)(C)C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830472258 602000750 /nfs/dbraw/zinc/00/07/50/602000750.db2.gz QLFTXOZDBPORSO-CQSZACIVSA-N -1 0 331.334 3.514 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccccc3)cc2C(=O)[O-])O1 ZINC000828207800 602005072 /nfs/dbraw/zinc/00/50/72/602005072.db2.gz RHFADDZAPOVSJZ-SJKOYZFVSA-N -1 0 341.363 3.683 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)s1 ZINC000833313852 602011733 /nfs/dbraw/zinc/01/17/33/602011733.db2.gz DNINJLSQMOAWIZ-QWRGUYRKSA-N -1 0 338.331 3.571 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000832992661 602012881 /nfs/dbraw/zinc/01/28/81/602012881.db2.gz RQUFNAQOXALLKA-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM CN(Cc1ccc(NC(=O)c2cccc(Cl)c2F)cc1)C(=O)[O-] ZINC000830835628 602014590 /nfs/dbraw/zinc/01/45/90/602014590.db2.gz IFZJQODOHMMRGA-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM Cc1cc(Cl)cc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)c1 ZINC000322277621 602016415 /nfs/dbraw/zinc/01/64/15/602016415.db2.gz XLNGTPVYEGPPMU-ZDUSSCGKSA-N -1 0 329.783 3.867 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N1CCCC[C@@H]1[C@@H](C)NC(=O)[O-] ZINC000740035458 602018062 /nfs/dbraw/zinc/01/80/62/602018062.db2.gz HZSKGCLPPWHSTA-BXUZGUMPSA-N -1 0 348.374 3.531 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cccc(Cl)c1F)c1ccc(Cl)cc1 ZINC000833126391 602024191 /nfs/dbraw/zinc/02/41/91/602024191.db2.gz WJVWTCDKZRDNDT-ZDUSSCGKSA-N -1 0 342.153 3.688 20 0 EHADRM CSc1ccccc1NC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000832789616 602025960 /nfs/dbraw/zinc/02/59/60/602025960.db2.gz AZEQOVZRRBCNAS-STQMWFEESA-N -1 0 336.457 3.954 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)Nc1c(F)cccc1F ZINC000833149874 602026067 /nfs/dbraw/zinc/02/60/67/602026067.db2.gz AXQZASVWVCTWOB-GXFFZTMASA-N -1 0 326.343 3.510 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)CCc2cc(F)ccc2F)c1 ZINC000740707710 602026531 /nfs/dbraw/zinc/02/65/31/602026531.db2.gz TYLUJYMBIFGHHZ-UHFFFAOYSA-N -1 0 338.285 3.765 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OC(=O)c1ccn(C2CCCC2)n1 ZINC000833353831 602032818 /nfs/dbraw/zinc/03/28/18/602032818.db2.gz UGNPQPITYGSQTO-UHFFFAOYSA-N -1 0 334.759 3.569 20 0 EHADRM CC[C@H](OC(=O)CCSCC(=O)[O-])c1c(F)cccc1Cl ZINC000829004344 602047710 /nfs/dbraw/zinc/04/77/10/602047710.db2.gz GGABFRFHDHLTIO-NSHDSACASA-N -1 0 334.796 3.681 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)N[C@@H]1CCc2c1cccc2F ZINC000833225106 602063667 /nfs/dbraw/zinc/06/36/67/602063667.db2.gz IVVABVJPKBCUNS-MRXNPFEDSA-N -1 0 336.407 3.537 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)N[C@H]1CCc2c1cccc2F ZINC000833225103 602063884 /nfs/dbraw/zinc/06/38/84/602063884.db2.gz IVVABVJPKBCUNS-INIZCTEOSA-N -1 0 336.407 3.537 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000237198031 602067832 /nfs/dbraw/zinc/06/78/32/602067832.db2.gz JWEIEZPRLQBGJE-CQSZACIVSA-N -1 0 341.407 3.530 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC000833225419 602068937 /nfs/dbraw/zinc/06/89/37/602068937.db2.gz UCVOKZILDNVKAN-MRXNPFEDSA-N -1 0 336.407 3.537 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2cccc(CC(=O)[O-])c2)o1 ZINC000325677171 602074315 /nfs/dbraw/zinc/07/43/15/602074315.db2.gz HGPJUCBKPZMEKP-MLGOLLRUSA-N -1 0 327.380 3.601 20 0 EHADRM Cc1ccc(C(=O)O[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)o1 ZINC000832918154 602080672 /nfs/dbraw/zinc/08/06/72/602080672.db2.gz GZHJJZDCOCDPDT-LBPRGKRZSA-N -1 0 329.135 3.878 20 0 EHADRM O=C([O-])[C@H](OC(=O)Cc1cccs1)c1cc(Cl)cc(Cl)c1 ZINC000833118474 602081155 /nfs/dbraw/zinc/08/11/55/602081155.db2.gz PAYHUYNUAMIDCS-CYBMUJFWSA-N -1 0 345.203 3.967 20 0 EHADRM Cc1coc(-c2cc(NC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)ccc2C)n1 ZINC000832987299 602083116 /nfs/dbraw/zinc/08/31/16/602083116.db2.gz DUBLPBLGDLFZDQ-KBPBESRZSA-N -1 0 342.395 3.788 20 0 EHADRM Cc1nc2ccc(NC(=O)Nc3cccc(CC(=O)[O-])c3)cc2s1 ZINC000738365870 602085825 /nfs/dbraw/zinc/08/58/25/602085825.db2.gz SIDDJUQJSVPLSF-UHFFFAOYSA-N -1 0 341.392 3.876 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737643535 602092616 /nfs/dbraw/zinc/09/26/16/602092616.db2.gz CBZVKBGMYCTBGA-UHFFFAOYSA-N -1 0 328.368 3.745 20 0 EHADRM C[C@@H]1c2ccccc2CCN1C(=O)NCCCCCCCC(=O)[O-] ZINC000828527360 602094874 /nfs/dbraw/zinc/09/48/74/602094874.db2.gz JBRVCFJUDCEDOX-OAHLLOKOSA-N -1 0 332.444 3.741 20 0 EHADRM CC(C)OCc1cccc(NC(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000737643701 602096061 /nfs/dbraw/zinc/09/60/61/602096061.db2.gz DEYJGTSDHCJJQB-UHFFFAOYSA-N -1 0 342.395 3.883 20 0 EHADRM COc1cc(NC(=O)Cc2cccc(Cl)c2)ccc1NC(=O)[O-] ZINC000739864727 602098352 /nfs/dbraw/zinc/09/83/52/602098352.db2.gz CVNZHSCMNIKMOS-UHFFFAOYSA-N -1 0 334.759 3.620 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Nc2cccc(-n3cccc3)c2)c1 ZINC000738622924 602101126 /nfs/dbraw/zinc/10/11/26/602101126.db2.gz UIYBUCLQKQGDIH-UHFFFAOYSA-N -1 0 335.363 3.748 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000827274117 602101379 /nfs/dbraw/zinc/10/13/79/602101379.db2.gz WEZVFSDNDSKFSJ-BONVTDFDSA-N -1 0 337.828 3.718 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000827274362 602102367 /nfs/dbraw/zinc/10/23/67/602102367.db2.gz XGVXUOJDIJCPNG-SJKOYZFVSA-N -1 0 331.799 3.656 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C)OC2CCCCCC2)sc1C(=O)[O-] ZINC000832892856 602103710 /nfs/dbraw/zinc/10/37/10/602103710.db2.gz GWOXRXDECDOPNP-LLVKDONJSA-N -1 0 325.430 3.821 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000666361679 602107477 /nfs/dbraw/zinc/10/74/77/602107477.db2.gz PDOOULWKGSKPMA-KBPBESRZSA-N -1 0 339.457 3.508 20 0 EHADRM CCC(=O)c1ccc(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000828574674 602109427 /nfs/dbraw/zinc/10/94/27/602109427.db2.gz VGRGYYHJFAAVNO-UHFFFAOYSA-N -1 0 333.290 3.508 20 0 EHADRM COc1ccc(CNC(=O)c2ccc3sccc3c2)cc1C(=O)[O-] ZINC000345811288 602110208 /nfs/dbraw/zinc/11/02/08/602110208.db2.gz XIQXVJZPYRLXSA-UHFFFAOYSA-N -1 0 341.388 3.538 20 0 EHADRM Cc1cccc(Oc2ncccc2NC(=O)[C@H](C)CC(=O)[O-])c1C ZINC000832973609 602113313 /nfs/dbraw/zinc/11/33/13/602113313.db2.gz BMVNZIUDGKSIII-GFCCVEGCSA-N -1 0 328.368 3.540 20 0 EHADRM COc1cccc(Oc2ccc(NC(=O)[C@H](C)CC(=O)[O-])cc2)c1 ZINC000832573282 602113336 /nfs/dbraw/zinc/11/33/36/602113336.db2.gz UUVKLYPBXTVQMV-GFCCVEGCSA-N -1 0 329.352 3.537 20 0 EHADRM Cc1ccc(Br)c(C(=O)Nc2sccc2C(=O)[O-])c1 ZINC000168979024 602115059 /nfs/dbraw/zinc/11/50/59/602115059.db2.gz ICGFEVBWAVCGTO-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1 ZINC000827247789 602130756 /nfs/dbraw/zinc/13/07/56/602130756.db2.gz RETPENYTGDCNAH-KGLIPLIRSA-N -1 0 331.437 3.949 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000829009736 602137824 /nfs/dbraw/zinc/13/78/24/602137824.db2.gz NRVOLKLNEADZGC-HNNXBMFYSA-N -1 0 338.379 3.982 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000827873890 602149673 /nfs/dbraw/zinc/14/96/73/602149673.db2.gz SBOBHILNCGKLHU-ZDUSSCGKSA-N -1 0 334.416 3.521 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000829009666 602149676 /nfs/dbraw/zinc/14/96/76/602149676.db2.gz KSGJVUMVUDAJFL-KRWDZBQOSA-N -1 0 348.443 3.863 20 0 EHADRM CSc1cc(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)c(Cl)cc1Cl ZINC000262930522 602168011 /nfs/dbraw/zinc/16/80/11/602168011.db2.gz HVETYRNTBPZZAD-VXNVDRBHSA-N -1 0 348.251 3.508 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)c2nccc3ccccc32)c1 ZINC000739917325 602171534 /nfs/dbraw/zinc/17/15/34/602171534.db2.gz IPRFSFFQIWVFDC-UHFFFAOYSA-N -1 0 337.335 3.586 20 0 EHADRM COc1ccccc1-c1ccc([C@@H](C)NC(=O)[C@H](C)CC(=O)[O-])cc1 ZINC000832577290 602172706 /nfs/dbraw/zinc/17/27/06/602172706.db2.gz DWWUYKMMMAWMEE-ZIAGYGMSSA-N -1 0 341.407 3.650 20 0 EHADRM O=C([O-])c1csc(NC(=O)CCc2ncc(-c3ccccc3)o2)c1 ZINC000191356144 602181600 /nfs/dbraw/zinc/18/16/00/602181600.db2.gz BBTKRFZWBNCYTC-UHFFFAOYSA-N -1 0 342.376 3.673 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2ccc(Oc3ccccc3)nc2)c1 ZINC000572195307 602183153 /nfs/dbraw/zinc/18/31/53/602183153.db2.gz VTXOAFODACYGLF-UHFFFAOYSA-N -1 0 340.360 3.886 20 0 EHADRM CCn1c(SCc2cc(C(=O)[O-])c(C)o2)nnc1-c1cccs1 ZINC000830415836 602190070 /nfs/dbraw/zinc/19/00/70/602190070.db2.gz CEYSHSVOJMTEFD-UHFFFAOYSA-N -1 0 349.437 3.918 20 0 EHADRM CCc1[nH]c(C(=O)Nc2sc(C)nc2CC(C)C)c(C)c1C(=O)[O-] ZINC000830203078 602202489 /nfs/dbraw/zinc/20/24/89/602202489.db2.gz WHKKUYAXICFVRB-UHFFFAOYSA-N -1 0 349.456 3.799 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)/C=C\c2ccc(Cl)s2)c1 ZINC000740674707 602202793 /nfs/dbraw/zinc/20/27/93/602202793.db2.gz VDCRIDVXAKIOCO-ALCCZGGFSA-N -1 0 336.800 3.821 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)Cc2ccc3c(c2)CCCC3)c1 ZINC000740676909 602203168 /nfs/dbraw/zinc/20/31/68/602203168.db2.gz WMHYYFVPWZOPIN-UHFFFAOYSA-N -1 0 338.407 3.514 20 0 EHADRM CC[C@]1(C)CCN(C(=O)Nc2cccc(CSCC(=O)[O-])c2)C1 ZINC000829050167 602206808 /nfs/dbraw/zinc/20/68/08/602206808.db2.gz MYBYUHCYSCMNTI-QGZVFWFLSA-N -1 0 336.457 3.658 20 0 EHADRM C[C@@H]1C[C@@H](C)N(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)C1 ZINC000828168423 602224281 /nfs/dbraw/zinc/22/42/81/602224281.db2.gz OUXUNKVYLHWJNH-CHWSQXEVSA-N -1 0 342.395 3.565 20 0 EHADRM CC[C@H](C)[C@H](C)NC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000828710101 602227801 /nfs/dbraw/zinc/22/78/01/602227801.db2.gz VWKWXLQLJMDRSW-STQMWFEESA-N -1 0 344.411 3.859 20 0 EHADRM CC(C)COc1ccc([C@H](C)NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000245769069 602232570 /nfs/dbraw/zinc/23/25/70/602232570.db2.gz WYSURKWHPWUXOG-USXIJHARSA-N -1 0 347.455 3.790 20 0 EHADRM COc1ccc(NC(=S)Nc2ccc3c(c2)CCN3C(=O)[O-])cc1 ZINC000739919154 602235192 /nfs/dbraw/zinc/23/51/92/602235192.db2.gz MRUBRHJJPKSBFN-UHFFFAOYSA-N -1 0 343.408 3.545 20 0 EHADRM Cc1ccccc1C(C)(C)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000740184726 602238662 /nfs/dbraw/zinc/23/86/62/602238662.db2.gz PZCYRWFBZMWZNB-UHFFFAOYSA-N -1 0 338.407 3.952 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000827271956 602239907 /nfs/dbraw/zinc/23/99/07/602239907.db2.gz MEXZNEAPHCJTRJ-PIGZYNQJSA-N -1 0 349.789 3.796 20 0 EHADRM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCO[C@H](c2ccsc2)C1 ZINC000576352660 602240376 /nfs/dbraw/zinc/24/03/76/602240376.db2.gz BMDKHFYIOZWHCS-LSDHHAIUSA-N -1 0 337.828 3.601 20 0 EHADRM CC(C)c1ccc2c(Cl)c(C(=O)N[C@H](C)C(=O)[O-])sc2c1 ZINC000737689136 602242847 /nfs/dbraw/zinc/24/28/47/602242847.db2.gz FBKWKCGIQLNAMA-MRVPVSSYSA-N -1 0 325.817 3.881 20 0 EHADRM CC[C@H](Sc1nnc(-c2ccncc2)n1C1CCCCC1)C(=O)[O-] ZINC000829020461 602243454 /nfs/dbraw/zinc/24/34/54/602243454.db2.gz GICVHXMGLRVQNR-AWEZNQCLSA-N -1 0 346.456 3.801 20 0 EHADRM CC(C)c1cccc(O[C@@H](C(=O)N[C@H](C)C(=O)[O-])c2ccccc2)c1 ZINC000236797971 602243578 /nfs/dbraw/zinc/24/35/78/602243578.db2.gz IBUDIONEONRDRP-RDTXWAMCSA-N -1 0 341.407 3.519 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)/C=C\c3ccccc3F)ccc21 ZINC000740344974 602244173 /nfs/dbraw/zinc/24/41/73/602244173.db2.gz CUTMGYXQMYUTOI-YVMONPNESA-N -1 0 326.327 3.518 20 0 EHADRM CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)[C@H](C)CC(=O)[O-] ZINC000827334658 602272664 /nfs/dbraw/zinc/27/26/64/602272664.db2.gz UPBUFRRJLXMIPZ-CYBMUJFWSA-N -1 0 349.427 3.526 20 0 EHADRM CC1(C)C[C@@H](NC(=O)Nc2ccc(C(=O)[O-])cc2)c2ccccc2O1 ZINC000828056339 602274093 /nfs/dbraw/zinc/27/40/93/602274093.db2.gz QJPBFSDIIYCNOF-OAHLLOKOSA-N -1 0 340.379 3.809 20 0 EHADRM Cc1ccc(-c2nc(CN3CCCC[C@@H]3[C@H](C)NC(=O)[O-])co2)cc1 ZINC000740092556 602275023 /nfs/dbraw/zinc/27/50/23/602275023.db2.gz LPKGYDOSHPEWHV-WMLDXEAASA-N -1 0 343.427 3.661 20 0 EHADRM CN(C(=O)Nc1cccc(OCCNC(=O)[O-])c1)C1CCCCCC1 ZINC000739573894 602288428 /nfs/dbraw/zinc/28/84/28/602288428.db2.gz CBTAGUBITMNVGA-UHFFFAOYSA-N -1 0 349.431 3.520 20 0 EHADRM CC(C)[C@@H](CC(=O)N1CCC[C@@H](CN(C)C(=O)[O-])C1)c1ccccc1 ZINC000738772764 602297372 /nfs/dbraw/zinc/29/73/72/602297372.db2.gz GFTORZDGJOFDCH-FUHWJXTLSA-N -1 0 346.471 3.665 20 0 EHADRM C[C@H](CC(=O)Nc1scc(C2CC2)c1C(=O)[O-])c1ccncc1 ZINC000827240996 602297942 /nfs/dbraw/zinc/29/79/42/602297942.db2.gz QQOHPNMKVFLCLB-SNVBAGLBSA-N -1 0 330.409 3.851 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)Cc2ccc(NC(=O)[O-])cc2)c1 ZINC000739795370 602307008 /nfs/dbraw/zinc/30/70/08/602307008.db2.gz HGBAMQIXDJHDBO-GFCCVEGCSA-N -1 0 328.368 3.665 20 0 EHADRM CC(C)c1cccc(-c2nc(COc3cccc(C(=O)[O-])c3)no2)n1 ZINC000827128959 602308987 /nfs/dbraw/zinc/30/89/87/602308987.db2.gz FZFYIAVHLYAMDL-UHFFFAOYSA-N -1 0 339.351 3.532 20 0 EHADRM CN(CC(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1)C(=O)[O-] ZINC000737395622 602319780 /nfs/dbraw/zinc/31/97/80/602319780.db2.gz XVEINQFDDRYWBL-UHFFFAOYSA-N -1 0 336.750 3.694 20 0 EHADRM O=C([O-])N1CCC(C(=O)NC2CCCCCC2)(c2ccccc2)CC1 ZINC000740492605 602332727 /nfs/dbraw/zinc/33/27/27/602332727.db2.gz WADXRBWPUDDNCE-UHFFFAOYSA-N -1 0 344.455 3.537 20 0 EHADRM C[C@H](C(=O)N(C)c1ncc(C(=O)[O-])s1)c1ccc2ccccc2c1 ZINC000825972318 602334730 /nfs/dbraw/zinc/33/47/30/602334730.db2.gz MUXSORYYUNRCDV-NSHDSACASA-N -1 0 340.404 3.761 20 0 EHADRM CN(C(=O)c1ccc(-c2ccccc2F)o1)c1ncc(C(=O)[O-])s1 ZINC000830523370 602338406 /nfs/dbraw/zinc/33/84/06/602338406.db2.gz KEKNLAITWGKBOB-UHFFFAOYSA-N -1 0 346.339 3.517 20 0 EHADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000739315364 602355927 /nfs/dbraw/zinc/35/59/27/602355927.db2.gz RVCSCFUIWZIVEP-SJORKVTESA-N -1 0 348.443 3.575 20 0 EHADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000739315362 602356091 /nfs/dbraw/zinc/35/60/91/602356091.db2.gz RVCSCFUIWZIVEP-IRXDYDNUSA-N -1 0 348.443 3.575 20 0 EHADRM Cn1cc(NC(=O)N2CCCC3(C2)CCCCCC3)cc1C(=O)[O-] ZINC000833048436 602373010 /nfs/dbraw/zinc/37/30/10/602373010.db2.gz JOPKTWUAYCDGBZ-UHFFFAOYSA-N -1 0 333.432 3.692 20 0 EHADRM CC[C@H](NC(=O)Nc1cc(C(=O)[O-])n(C)c1)c1cccc(Cl)c1 ZINC000828952509 602374803 /nfs/dbraw/zinc/37/48/03/602374803.db2.gz ZMLIGHVPPSWYNZ-ZDUSSCGKSA-N -1 0 335.791 3.650 20 0 EHADRM CCSCC[C@H](C)N(C)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000830164299 602375774 /nfs/dbraw/zinc/37/57/74/602375774.db2.gz SRRZQNHRQQOIRI-JTQLQIEISA-N -1 0 328.409 3.519 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)s1 ZINC000322882791 602379675 /nfs/dbraw/zinc/37/96/75/602379675.db2.gz VIWPEJWYWRKXHP-SECBINFHSA-N -1 0 336.388 3.647 20 0 EHADRM CN(CC1CCN(Cc2csc(C3CCCC3)n2)CC1)C(=O)[O-] ZINC000739666582 602381573 /nfs/dbraw/zinc/38/15/73/602381573.db2.gz SETLAJSSTDPMDN-UHFFFAOYSA-N -1 0 337.489 3.623 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1F ZINC000323180193 602393795 /nfs/dbraw/zinc/39/37/95/602393795.db2.gz ZQJWTELNDHXWMR-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc(C(=O)[O-])c(F)c2)o1 ZINC000326064649 602393796 /nfs/dbraw/zinc/39/37/96/602393796.db2.gz FTNUQUNCLAWIDI-IINYFYTJSA-N -1 0 331.343 3.812 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1cccc(C(C)C)n1)c1ccccc1 ZINC000828595093 602398022 /nfs/dbraw/zinc/39/80/22/602398022.db2.gz QMYLVRFJKBCTRQ-QGZVFWFLSA-N -1 0 326.396 3.715 20 0 EHADRM Cc1nc(C(C)C)sc1-c1nc([C@@H](CC(C)C)NC(=O)[O-])no1 ZINC000740214076 602407984 /nfs/dbraw/zinc/40/79/84/602407984.db2.gz HRTQISXPEQNMRH-SNVBAGLBSA-N -1 0 338.433 3.980 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(Cc2cn(C)c3ccccc23)n1 ZINC000738825944 602408129 /nfs/dbraw/zinc/40/81/29/602408129.db2.gz ZZMCMIQAPSNDQX-CQSZACIVSA-N -1 0 342.399 3.507 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(-c2cnc(-c3ccco3)s2)n1 ZINC000738816456 602409584 /nfs/dbraw/zinc/40/95/84/602409584.db2.gz JXJIDPQLANYARZ-SECBINFHSA-N -1 0 348.384 3.808 20 0 EHADRM COc1ccc([C@H](C)c2nc([C@H](CC(C)C)NC(=O)[O-])no2)cc1 ZINC000739894973 602410200 /nfs/dbraw/zinc/41/02/00/602410200.db2.gz GZKJMEVUNMNSDB-FZMZJTMJSA-N -1 0 333.388 3.585 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc([C@H](C)OCc2ccccc2)n1 ZINC000738815007 602410570 /nfs/dbraw/zinc/41/05/70/602410570.db2.gz FFVPPEGTJNWOKF-JSGCOSHPSA-N -1 0 333.388 3.702 20 0 EHADRM Cc1ccc(OCCc2nc([C@H](CC(C)C)NC(=O)[O-])no2)c(C)c1 ZINC000740143561 602410585 /nfs/dbraw/zinc/41/05/85/602410585.db2.gz HWPMXDUWXAMTMO-AWEZNQCLSA-N -1 0 347.415 3.663 20 0 EHADRM CC[C@@H](Cc1nc(C2(NC(=O)[O-])CCCC2)no1)c1ccccc1 ZINC000739258535 602413367 /nfs/dbraw/zinc/41/33/67/602413367.db2.gz HBTLCNAJERLNNZ-ZDUSSCGKSA-N -1 0 329.400 3.843 20 0 EHADRM Cc1ccc(O[C@H](C)c2nc(C3(NC(=O)[O-])CCCC3)no2)cc1 ZINC000740145155 602414187 /nfs/dbraw/zinc/41/41/87/602414187.db2.gz WXLMYLYCCGFQAQ-GFCCVEGCSA-N -1 0 331.372 3.555 20 0 EHADRM C[C@H](Oc1cccc(Cl)c1)c1nc(C2(NC(=O)[O-])CCC2)no1 ZINC000739056197 602416482 /nfs/dbraw/zinc/41/64/82/602416482.db2.gz RDTMQNAFIUHZDC-VIFPVBQESA-N -1 0 337.763 3.510 20 0 EHADRM O=C([O-])NC1(c2noc(-c3ccc(SC(F)F)cc3)n2)CCC1 ZINC000740549396 602416873 /nfs/dbraw/zinc/41/68/73/602416873.db2.gz SFHWOBOMYXIBIN-UHFFFAOYSA-N -1 0 341.339 3.698 20 0 EHADRM O=C([O-])NC1(c2noc(-c3ccc(Cl)c(Cl)c3)n2)CCC1 ZINC000740548689 602417490 /nfs/dbraw/zinc/41/74/90/602417490.db2.gz RHYWGNSWRSQQNQ-UHFFFAOYSA-N -1 0 328.155 3.690 20 0 EHADRM CN(Cc1cccc(F)c1)C(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000739706858 602454305 /nfs/dbraw/zinc/45/43/05/602454305.db2.gz DYAMXFCEMQTDRV-KRWDZBQOSA-N -1 0 344.386 3.573 20 0 EHADRM C[C@H](NC(=O)CC[C@H](NC(=O)[O-])c1ccccc1)c1cccs1 ZINC000738960864 602455069 /nfs/dbraw/zinc/45/50/69/602455069.db2.gz MXVYKYFDABPCHF-JSGCOSHPSA-N -1 0 332.425 3.714 20 0 EHADRM COc1ccc(NC(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)cc1F ZINC000739922386 602460946 /nfs/dbraw/zinc/46/09/46/602460946.db2.gz XMGKNZKWLKYRAI-OAHLLOKOSA-N -1 0 346.358 3.562 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)N[C@@H](c2ccccc2)C2CCC2)cc1 ZINC000740703771 602475808 /nfs/dbraw/zinc/47/58/08/602475808.db2.gz VIXUEACKRJQOPR-IBGZPJMESA-N -1 0 338.407 3.977 20 0 EHADRM COc1ccc(Cl)cc1NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739904695 602481253 /nfs/dbraw/zinc/48/12/53/602481253.db2.gz AOBSQQXTBSJQTG-UHFFFAOYSA-N -1 0 338.722 3.830 20 0 EHADRM C[C@@H](NC(=O)c1ccc(F)c(NC(=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000739026491 602481654 /nfs/dbraw/zinc/48/16/54/602481654.db2.gz ZFMZJWWWJKZUJZ-MRVPVSSYSA-N -1 0 338.285 3.685 20 0 EHADRM O=C([O-])Nc1cc(C(=O)NC[C@@H]2CCCc3ccccc32)ccc1F ZINC000740694833 602483642 /nfs/dbraw/zinc/48/36/42/602483642.db2.gz BDNPGDOKBOXJJT-AWEZNQCLSA-N -1 0 342.370 3.766 20 0 EHADRM Cc1nc2c(s1)[C@H](N(C)C(=O)c1ccc(NC(=O)[O-])cc1)CCC2 ZINC000738365492 602489585 /nfs/dbraw/zinc/48/95/85/602489585.db2.gz NRQCLXVNWXIHNG-CQSZACIVSA-N -1 0 345.424 3.691 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000740712330 602499554 /nfs/dbraw/zinc/49/95/54/602499554.db2.gz OAMCDHVIIFVQLL-UHFFFAOYSA-N -1 0 335.157 3.791 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)cc1 ZINC000740706878 602500760 /nfs/dbraw/zinc/50/07/60/602500760.db2.gz CAMKLBZSCBABNT-LLVKDONJSA-N -1 0 346.770 3.620 20 0 EHADRM Cc1oc(-c2ccco2)nc1CC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000740272931 602504354 /nfs/dbraw/zinc/50/43/54/602504354.db2.gz SEOLOPWNNLELGG-UHFFFAOYSA-N -1 0 341.323 3.514 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)CCOc3ccccc3)ccc21 ZINC000740358313 602506569 /nfs/dbraw/zinc/50/65/69/602506569.db2.gz GEQQDSZBQNDBFR-UHFFFAOYSA-N -1 0 340.379 3.525 20 0 EHADRM COc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])cc1F ZINC000739880533 602506784 /nfs/dbraw/zinc/50/67/84/602506784.db2.gz DKUPDOWAERLZIJ-UHFFFAOYSA-N -1 0 344.342 3.517 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)c3nccc4ccccc43)ccc21 ZINC000740472726 602509771 /nfs/dbraw/zinc/50/97/71/602509771.db2.gz XSVQUWUUWNDJRR-UHFFFAOYSA-N -1 0 347.374 3.918 20 0 EHADRM COc1ccccc1CC(C)(C)NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000738123321 602510806 /nfs/dbraw/zinc/51/08/06/602510806.db2.gz DVHFYMWAEYTKBG-UHFFFAOYSA-N -1 0 342.395 3.536 20 0 EHADRM Cc1[nH]c2c(cccc2C(=O)Nc2cccc(CNC(=O)[O-])c2)c1C ZINC000740036442 602514406 /nfs/dbraw/zinc/51/44/06/602514406.db2.gz YKAAJJTZZFKWQB-UHFFFAOYSA-N -1 0 337.379 3.805 20 0 EHADRM C[C@@H](NC(=O)CC1CCN(C(=O)[O-])CC1)c1cc2ccccc2s1 ZINC000738961904 602517889 /nfs/dbraw/zinc/51/78/89/602517889.db2.gz SCBDTVFZHZBIDR-GFCCVEGCSA-N -1 0 346.452 3.859 20 0 EHADRM Cc1c(C(=O)N2CCC(N(C)C(=O)[O-])CC2)oc2c1c(C)ccc2C ZINC000738265436 602523161 /nfs/dbraw/zinc/52/31/61/602523161.db2.gz QORBOLBGIIYQBA-UHFFFAOYSA-N -1 0 344.411 3.572 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Oc2c(F)c(F)cc(F)c2F)ccc1F ZINC000740694770 602566169 /nfs/dbraw/zinc/56/61/69/602566169.db2.gz IVKYBRWZDVYLQH-UHFFFAOYSA-N -1 0 347.195 3.691 20 0 EHADRM C[C@@H]1C[C@@H]1CNC(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000739079543 602598165 /nfs/dbraw/zinc/59/81/65/602598165.db2.gz CGWHKLPHVFMDKF-HTQZYQBOSA-N -1 0 331.294 3.573 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N2CCC[C@@H]2c2ccncc2)cc1 ZINC000740710757 602602060 /nfs/dbraw/zinc/60/20/60/602602060.db2.gz YSUFLTCCWWKIMI-OAHLLOKOSA-N -1 0 326.356 3.541 20 0 EHADRM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000736823154 602605921 /nfs/dbraw/zinc/60/59/21/602605921.db2.gz ARJOIRCFFAJRHP-MEDUHNTESA-N -1 0 325.368 3.832 20 0 EHADRM Cc1ccccc1CNC(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000740183794 602607185 /nfs/dbraw/zinc/60/71/85/602607185.db2.gz LLCWFQHGBPYZQO-UHFFFAOYSA-N -1 0 339.395 3.747 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])o1 ZINC000740113230 602607287 /nfs/dbraw/zinc/60/72/87/602607287.db2.gz KBOHVXNYIDVLFM-GFCCVEGCSA-N -1 0 343.383 3.901 20 0 EHADRM CC(C)[C@H]1CCCN1C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000738801293 602607662 /nfs/dbraw/zinc/60/76/62/602607662.db2.gz PIGIFMIWFPLLBU-OAHLLOKOSA-N -1 0 331.416 3.770 20 0 EHADRM CCN(C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2)[C@H](C)C(C)C ZINC000739379208 602609340 /nfs/dbraw/zinc/60/93/40/602609340.db2.gz AAIGPJGZGMXMIT-CYBMUJFWSA-N -1 0 333.432 3.621 20 0 EHADRM CCS[C@H]1CCCCN(C(=O)c2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000739520074 602657759 /nfs/dbraw/zinc/65/77/59/602657759.db2.gz PTJUDEXSQFADDI-LBPRGKRZSA-N -1 0 340.420 3.663 20 0 EHADRM O=C([O-])N(CCCNc1nc(C(F)F)nc2ccccc21)C1CC1 ZINC000740488439 602678577 /nfs/dbraw/zinc/67/85/77/602678577.db2.gz DVXFCIAJVSHKQY-UHFFFAOYSA-N -1 0 336.342 3.512 20 0 EHADRM CC[C@H](NC(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2)cc1C ZINC000739531884 602701352 /nfs/dbraw/zinc/70/13/52/602701352.db2.gz XVNIVLCBYHAZPT-HNNXBMFYSA-N -1 0 328.368 3.772 20 0 EHADRM COc1ccccc1C/C(C)=C\C(=O)Nc1ccccc1NC(=O)[O-] ZINC000739971319 602733317 /nfs/dbraw/zinc/73/33/17/602733317.db2.gz MYBYRXXBMJFUIU-SEYXRHQNSA-N -1 0 340.379 3.913 20 0 EHADRM CCN(C(=O)C[C@H](C)NC(=O)[O-])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000826969704 602762743 /nfs/dbraw/zinc/76/27/43/602762743.db2.gz IOEZMWHHFRRNGZ-QWRGUYRKSA-N -1 0 346.349 3.661 20 0 EHADRM C[C@H]1CCN(C(=O)CCC(C)(C)NC(=O)[O-])c2ccccc2S1 ZINC000739111813 602788078 /nfs/dbraw/zinc/78/80/78/602788078.db2.gz FLMSTSVVVZHDRI-LBPRGKRZSA-N -1 0 336.457 3.730 20 0 EHADRM C[C@@H](Nc1ccc(NC(=O)C[C@H](C)NC(=O)[O-])cc1)c1ccccc1 ZINC000824696162 602804338 /nfs/dbraw/zinc/80/43/38/602804338.db2.gz QYSKHZNYTCHKAU-UONOGXRCSA-N -1 0 341.411 3.844 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(N[C@H](C)c2ccccc2)cc1)NC(=O)[O-] ZINC000824696163 602804359 /nfs/dbraw/zinc/80/43/59/602804359.db2.gz QYSKHZNYTCHKAU-ZIAGYGMSSA-N -1 0 341.411 3.844 20 0 EHADRM C[C@H](C(=O)N1CCCc2cc(CNC(=O)[O-])ccc21)c1cccs1 ZINC000738619150 602834032 /nfs/dbraw/zinc/83/40/32/602834032.db2.gz LEYMOKDDTCHIGW-LBPRGKRZSA-N -1 0 344.436 3.599 20 0 EHADRM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)CCCCCCNC(=O)[O-])C1 ZINC000740181214 602842189 /nfs/dbraw/zinc/84/21/89/602842189.db2.gz NRTSYOMJNLJLRV-SJORKVTESA-N -1 0 346.471 3.918 20 0 EHADRM CCC[C@@H](CC1CCCC1)C(=O)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000739308885 602849448 /nfs/dbraw/zinc/84/94/48/602849448.db2.gz ZRHHVTTWHQNEMG-YOEHRIQHSA-N -1 0 338.492 3.878 20 0 EHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)C2CCC(NC(=O)[O-])CC2)o1 ZINC000740117647 602858470 /nfs/dbraw/zinc/85/84/70/602858470.db2.gz JIJWSNFYHFEYQH-GPANFISMSA-N -1 0 348.443 3.858 20 0 EHADRM Cc1cc(F)cc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])c1 ZINC000830061716 602859608 /nfs/dbraw/zinc/85/96/08/602859608.db2.gz MRYXEVWLLXOGCE-UHFFFAOYSA-N -1 0 328.343 3.817 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(C[C@H]2CCc3ccccc32)n1 ZINC000738814183 602868664 /nfs/dbraw/zinc/86/86/64/602868664.db2.gz AHXPXUVAQBAQTH-UKRRQHHQSA-N -1 0 329.400 3.697 20 0 EHADRM Cc1ccc(C(=O)N[C@@H]2CCc3ccc(F)cc32)cc1NC(=O)[O-] ZINC000830211414 602874142 /nfs/dbraw/zinc/87/41/42/602874142.db2.gz QBGIHKNOYCCXGJ-OAHLLOKOSA-N -1 0 328.343 3.641 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)N2CCCC[C@@H]2c2ccco2)cc1 ZINC000740702245 602882049 /nfs/dbraw/zinc/88/20/49/602882049.db2.gz WKLTXIGEXGTAHS-OAHLLOKOSA-N -1 0 328.368 3.666 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000824817040 602905308 /nfs/dbraw/zinc/90/53/08/602905308.db2.gz NJNSJLCOFGJANQ-ZDUSSCGKSA-N -1 0 344.386 3.801 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)N1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000740159124 602909550 /nfs/dbraw/zinc/90/95/50/602909550.db2.gz OBLWQBFCIXEZTP-DZGCQCFKSA-N -1 0 333.432 3.628 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](NC(=O)C[C@@H](C)NC(=O)[O-])C(C)C ZINC000829860376 602918937 /nfs/dbraw/zinc/91/89/37/602918937.db2.gz YERDBSCHAPPMKO-BZNIZROVSA-N -1 0 332.400 3.601 20 0 EHADRM CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)C[C@H](C)NC(=O)[O-] ZINC000824552585 602930587 /nfs/dbraw/zinc/93/05/87/602930587.db2.gz RIWPJBGAKNKYOH-NHYWBVRUSA-N -1 0 326.824 3.542 20 0 EHADRM Cc1ccc(C(=O)NCCOC2CCCCCC2)cc1NC(=O)[O-] ZINC000830219332 602961841 /nfs/dbraw/zinc/96/18/41/602961841.db2.gz BXOSDIOKJQQLQF-UHFFFAOYSA-N -1 0 334.416 3.554 20 0 EHADRM CS[C@H](C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])c1ccccc1 ZINC000740002792 602982099 /nfs/dbraw/zinc/98/20/99/602982099.db2.gz SUKDZPZISDDQOD-INIZCTEOSA-N -1 0 342.420 3.770 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc([C@@H](C)Oc2cccc(F)c2)n1 ZINC000738817053 602999992 /nfs/dbraw/zinc/99/99/92/602999992.db2.gz OXYIIXWGWFZZQC-MFKMUULPSA-N -1 0 337.351 3.704 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc([C@@H](C)Oc2ccccc2F)n1 ZINC000738815466 603001650 /nfs/dbraw/zinc/00/16/50/603001650.db2.gz GQMWQGYEUIHXDV-PWSUYJOCSA-N -1 0 337.351 3.704 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(-c2ccc3ncccc3c2)n1 ZINC000738817939 603002025 /nfs/dbraw/zinc/00/20/25/603002025.db2.gz VPWUPPBRYJQXHX-CQSZACIVSA-N -1 0 326.356 3.640 20 0 EHADRM C[C@@H](NC(=O)CCNC(=O)[O-])c1ccccc1-c1ccc(Cl)cc1 ZINC000736636296 603008146 /nfs/dbraw/zinc/00/81/46/603008146.db2.gz LGJGCQOGPSUROP-GFCCVEGCSA-N -1 0 346.814 3.842 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)N1CCCN(C(=O)[O-])CC1 ZINC000737606569 603018334 /nfs/dbraw/zinc/01/83/34/603018334.db2.gz CXKQHWYFCPURKJ-UHFFFAOYSA-N -1 0 348.468 3.571 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NCC(=O)NC2CCCCCCC2)c1 ZINC000740703980 603020206 /nfs/dbraw/zinc/02/02/06/603020206.db2.gz GIZJGWNGYXOZBJ-UHFFFAOYSA-N -1 0 337.395 3.557 20 0 EHADRM COc1cc(NC(=O)Nc2cc(NC(=O)[O-])ccc2F)cc(OC)c1 ZINC000739872044 603034775 /nfs/dbraw/zinc/03/47/75/603034775.db2.gz SALKXYYYGPFNMK-UHFFFAOYSA-N -1 0 349.318 3.577 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)NC2(c3ccccc3)CC2)c1 ZINC000740708110 603037490 /nfs/dbraw/zinc/03/74/90/603037490.db2.gz YVTDONWEJPUUFT-UHFFFAOYSA-N -1 0 329.331 3.726 20 0 EHADRM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)C2CCC(NC(=O)[O-])CC2)C1 ZINC000739082105 603038757 /nfs/dbraw/zinc/03/87/57/603038757.db2.gz LNCAFQPZSBQJPF-MIOCFURKSA-N -1 0 348.418 3.562 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)cc1 ZINC000827901079 603039681 /nfs/dbraw/zinc/03/96/81/603039681.db2.gz UPVIVFWWDBHTFY-KBPBESRZSA-N -1 0 347.317 3.788 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N[C@@H]2CCCc3occc32)c1 ZINC000740707014 603039877 /nfs/dbraw/zinc/03/98/77/603039877.db2.gz LFTPLDRJSYOQEI-GFCCVEGCSA-N -1 0 333.319 3.708 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)Nc2cccc(CC(F)(F)F)c2)C1 ZINC000832325881 603082283 /nfs/dbraw/zinc/08/22/83/603082283.db2.gz OMQWBNAWYKADPE-YPMHNXCESA-N -1 0 344.333 3.556 20 0 EHADRM CC[C@H]1c2ccccc2CCN1C(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000739279923 603103009 /nfs/dbraw/zinc/10/30/09/603103009.db2.gz PMXRNDDWQGXXPL-SFHVURJKSA-N -1 0 338.407 3.604 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739883666 603151847 /nfs/dbraw/zinc/15/18/47/603151847.db2.gz CSYODFYHXWABDH-JSGCOSHPSA-N -1 0 348.443 3.758 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739439799 603154914 /nfs/dbraw/zinc/15/49/14/603154914.db2.gz OCTZXILZEIZFSY-MNOVXSKESA-N -1 0 344.864 3.576 20 0 EHADRM Cc1ccc(-c2noc(COc3ccc(N(C)C(=O)[O-])cc3)n2)cc1 ZINC000830166155 603159124 /nfs/dbraw/zinc/15/91/24/603159124.db2.gz VCRBZMKWJUOQDC-UHFFFAOYSA-N -1 0 339.351 3.738 20 0 EHADRM Cc1ccc(C)c([C@H](C)N(C)C(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)c1 ZINC000740117328 603166547 /nfs/dbraw/zinc/16/65/47/603166547.db2.gz RJWQBUSYNZMWPW-ARFHVFGLSA-N -1 0 332.444 3.649 20 0 EHADRM CSc1ccc(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1 ZINC000829760401 603172279 /nfs/dbraw/zinc/17/22/79/603172279.db2.gz KUSLODYAHSTOKQ-LLVKDONJSA-N -1 0 330.409 3.989 20 0 EHADRM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1 ZINC000830401537 603176017 /nfs/dbraw/zinc/17/60/17/603176017.db2.gz YJJLGKWCUYYHEK-KGLIPLIRSA-N -1 0 342.395 3.730 20 0 EHADRM COc1ccc([C@@H](C)C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)cc1 ZINC000829292328 603178240 /nfs/dbraw/zinc/17/82/40/603178240.db2.gz DRPOBRWDJFMRKQ-OLZOCXBDSA-N -1 0 342.395 3.766 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000740015548 603182990 /nfs/dbraw/zinc/18/29/90/603182990.db2.gz DFJLLQYTYGQDSA-ONGXEEELSA-N -1 0 342.848 3.827 20 0 EHADRM CC(C)c1nc(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)cs1 ZINC000824482187 603185886 /nfs/dbraw/zinc/18/58/86/603185886.db2.gz ISPDUCILBJIIIH-SNVBAGLBSA-N -1 0 333.413 3.847 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2cc3c(s2)CCC3)cc1 ZINC000825443011 603193724 /nfs/dbraw/zinc/19/37/24/603193724.db2.gz VSVOFFPUSMNTOS-JTQLQIEISA-N -1 0 330.409 3.818 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2F)C1 ZINC000740576706 603194235 /nfs/dbraw/zinc/19/42/35/603194235.db2.gz VDYZKZWMVKJTMO-WPRPVWTQSA-N -1 0 348.296 3.609 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)cc1 ZINC000738663011 603196074 /nfs/dbraw/zinc/19/60/74/603196074.db2.gz GDPQPDVBZGFFIB-QWHCGFSZSA-N -1 0 332.306 3.797 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@H]2CCOc3ccccc32)c(Cl)c1 ZINC000740696999 603207092 /nfs/dbraw/zinc/20/70/92/603207092.db2.gz DIXLAXTYYJTRCT-AWEZNQCLSA-N -1 0 346.770 3.684 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000739093225 603208200 /nfs/dbraw/zinc/20/82/00/603208200.db2.gz WOGCIQXQKVMWLK-BZZMCLGOSA-N -1 0 344.455 3.955 20 0 EHADRM CCCN(CCC)C(=O)c1cc(Cl)c(NC(=O)[O-])cc1OC ZINC000826906652 603213760 /nfs/dbraw/zinc/21/37/60/603213760.db2.gz DFFKXIYEFYPVBH-UHFFFAOYSA-N -1 0 328.796 3.701 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)o1 ZINC000832701609 603214263 /nfs/dbraw/zinc/21/42/63/603214263.db2.gz AAAVTZBSDWNQCD-UHFFFAOYSA-N -1 0 336.347 3.967 20 0 EHADRM Cc1ccc(CNC(=O)c2ccc(NC(=O)[O-])cc2Cl)c(C)c1 ZINC000740131206 603216073 /nfs/dbraw/zinc/21/60/73/603216073.db2.gz YDSHNNJUQORZTM-UHFFFAOYSA-N -1 0 332.787 3.977 20 0 EHADRM Cc1ccc(Oc2ccccc2NC(=O)C[C@@H](C)NC(=O)[O-])cc1 ZINC000830411477 603225880 /nfs/dbraw/zinc/22/58/80/603225880.db2.gz WTHUGHOCGBIZDD-CYBMUJFWSA-N -1 0 328.368 3.772 20 0 EHADRM C[C@H](CNC(=O)c1ccc(F)c(NC(=O)[O-])c1)Cc1cccs1 ZINC000738939025 603228811 /nfs/dbraw/zinc/22/88/11/603228811.db2.gz KDXWJGNKACGNCE-JTQLQIEISA-N -1 0 336.388 3.586 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)c(Cl)c1 ZINC000740698439 603231100 /nfs/dbraw/zinc/23/11/00/603231100.db2.gz LFJXJAAJGQFRFJ-UKRRQHHQSA-N -1 0 330.771 3.716 20 0 EHADRM C[C@@H](NC(=O)[O-])C(=O)Nc1ccccc1OCc1cccc(Cl)c1 ZINC000738996775 603235406 /nfs/dbraw/zinc/23/54/06/603235406.db2.gz ZPZCKYGKPXKIJH-LLVKDONJSA-N -1 0 348.786 3.514 20 0 EHADRM COc1cccc(NC(=S)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)c1 ZINC000829570425 603240472 /nfs/dbraw/zinc/24/04/72/603240472.db2.gz KGGLTIOGEJLBNJ-LLVKDONJSA-N -1 0 345.424 3.833 20 0 EHADRM COc1cccc(NC(=S)Nc2ccc([C@H](C)NC(=O)[O-])cc2)c1 ZINC000829570426 603240806 /nfs/dbraw/zinc/24/08/06/603240806.db2.gz KGGLTIOGEJLBNJ-NSHDSACASA-N -1 0 345.424 3.833 20 0 EHADRM Cc1noc(C)c1[C@@H](C)NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000740255788 603250622 /nfs/dbraw/zinc/25/06/22/603250622.db2.gz CYVPUZJSNNNWIT-SSDOTTSWSA-N -1 0 337.763 3.526 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000830472411 603252667 /nfs/dbraw/zinc/25/26/67/603252667.db2.gz PLNXFFJOSKXTPZ-UKRRQHHQSA-N -1 0 333.432 3.676 20 0 EHADRM C[C@H](C(=O)Nc1cc(F)cc(F)c1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823712924 603262379 /nfs/dbraw/zinc/26/23/79/603262379.db2.gz LTAQIKYKFRWQFI-BONVTDFDSA-N -1 0 334.322 3.548 20 0 EHADRM O=C([O-])N[C@@H](C(=O)Nc1ccc(F)cc1F)c1cccc(Cl)c1 ZINC000740531588 603262913 /nfs/dbraw/zinc/26/29/13/603262913.db2.gz ITXHSWDZBURCLD-CYBMUJFWSA-N -1 0 340.713 3.566 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCC[C@@H]2c2ccncc2)c(Cl)c1 ZINC000740698343 603272439 /nfs/dbraw/zinc/27/24/39/603272439.db2.gz GJBCJUMTFBFVIK-OAHLLOKOSA-N -1 0 345.786 3.802 20 0 EHADRM CC[C@H](NC(=O)CC1CCN(C(=O)[O-])CC1)C(C)(C)c1ccccc1 ZINC000739262115 603274489 /nfs/dbraw/zinc/27/44/89/603274489.db2.gz JDZJMYZEGZNBRD-KRWDZBQOSA-N -1 0 346.471 3.639 20 0 EHADRM CCN(Cc1ccccc1)C(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000827171092 603275587 /nfs/dbraw/zinc/27/55/87/603275587.db2.gz LYBGLIUXKAYABB-YJBOKZPZSA-N -1 0 340.423 3.680 20 0 EHADRM CCSCc1cccc(NC(=O)C2CCC(NC(=O)[O-])CC2)c1 ZINC000739519796 603278272 /nfs/dbraw/zinc/27/82/72/603278272.db2.gz XYTWIXHGASEHPG-UHFFFAOYSA-N -1 0 336.457 3.705 20 0 EHADRM Cc1cc(NC(=O)[C@@H](NC(=O)[O-])c2ccccc2)ccc1OC(C)C ZINC000740086303 603285625 /nfs/dbraw/zinc/28/56/25/603285625.db2.gz KCXOBAVDVGRFSB-KRWDZBQOSA-N -1 0 342.395 3.730 20 0 EHADRM Cc1ccc(C(=O)NC[C@@H]2CCCc3ccccc32)cc1NC(=O)[O-] ZINC000830216998 603291000 /nfs/dbraw/zinc/29/10/00/603291000.db2.gz OFJKXEREXJIHCQ-INIZCTEOSA-N -1 0 338.407 3.935 20 0 EHADRM C[C@H](CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl)NC(=O)[O-] ZINC000824551561 603295464 /nfs/dbraw/zinc/29/54/64/603295464.db2.gz LJPRMRYLVOOXSG-BDAKNGLRSA-N -1 0 333.215 3.559 20 0 EHADRM COc1cc(C(=O)N2CCCN(C(=O)[O-])c3ccccc32)ccc1C ZINC000739854218 603298313 /nfs/dbraw/zinc/29/83/13/603298313.db2.gz YHPVDKFVCQVDPF-UHFFFAOYSA-N -1 0 340.379 3.539 20 0 EHADRM O=C([O-])N1CCCN(C(=O)c2cc3ccccc3o2)c2ccccc21 ZINC000740515874 603298814 /nfs/dbraw/zinc/29/88/14/603298814.db2.gz MIMGAORQWZDUOE-UHFFFAOYSA-N -1 0 336.347 3.968 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000830251598 603299707 /nfs/dbraw/zinc/29/97/07/603299707.db2.gz RDNZMCOIOBWJAA-RLFYNMQTSA-N -1 0 340.423 3.817 20 0 EHADRM O=C([O-])N1CCC(CC(=O)N2CCCCC[C@@H]2c2ccco2)CC1 ZINC000740497433 603301832 /nfs/dbraw/zinc/30/18/32/603301832.db2.gz PTFVSTKWAKYPOZ-OAHLLOKOSA-N -1 0 334.416 3.503 20 0 EHADRM CCN(CCc1ccccc1)C(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000827156027 603306158 /nfs/dbraw/zinc/30/61/58/603306158.db2.gz AKCMFMWIKXKQOG-UHFFFAOYSA-N -1 0 326.396 3.790 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N(C)CCC(C)C ZINC000829167424 603308308 /nfs/dbraw/zinc/30/83/08/603308308.db2.gz KZEWJAPSXWEJJJ-UHFFFAOYSA-N -1 0 328.796 3.557 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(NC(=O)[O-])cc1)Oc1cccc(F)c1 ZINC000824939497 603310324 /nfs/dbraw/zinc/31/03/24/603310324.db2.gz LZQCEVDDIUCYQK-LLVKDONJSA-N -1 0 347.346 3.505 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(NC(=O)[O-])cc1)Oc1ccc(F)cc1 ZINC000824940063 603310361 /nfs/dbraw/zinc/31/03/61/603310361.db2.gz STNIGPHYAZAGGN-NSHDSACASA-N -1 0 347.346 3.505 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CC[C@@H](c3ccco3)C2)c(Cl)c1 ZINC000740700253 603311180 /nfs/dbraw/zinc/31/11/80/603311180.db2.gz UKSYTNGMENWOAF-SNVBAGLBSA-N -1 0 334.759 3.653 20 0 EHADRM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NC2CCC(NC(=O)[O-])CC2)cc1 ZINC000738882187 603319449 /nfs/dbraw/zinc/31/94/49/603319449.db2.gz JVZBHRFOGKTKCB-HIEASXQVSA-N -1 0 344.455 3.609 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(CNC(=O)[O-])c2)o1 ZINC000740117527 603322537 /nfs/dbraw/zinc/32/25/37/603322537.db2.gz ILNYXIWXDJRDFL-HNNXBMFYSA-N -1 0 343.383 3.725 20 0 EHADRM CC(C)N(Cc1ccccc1)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000738852978 603323293 /nfs/dbraw/zinc/32/32/93/603323293.db2.gz NFNUFKCJDACVHG-UHFFFAOYSA-N -1 0 341.411 3.897 20 0 EHADRM CN(Cc1ccccc1NC(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1)C(=O)[O-] ZINC000828400295 603330871 /nfs/dbraw/zinc/33/08/71/603330871.db2.gz WMHHOVQJZMDUFA-IJEWVQPXSA-N -1 0 345.443 3.887 20 0 EHADRM C[C@@H](CCc1ccco1)NC(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000738908725 603332197 /nfs/dbraw/zinc/33/21/97/603332197.db2.gz REOUWKOVKHDDSI-ZDUSSCGKSA-N -1 0 345.399 3.532 20 0 EHADRM CSCC[C@H](C)N(C)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739995716 603333140 /nfs/dbraw/zinc/33/31/40/603333140.db2.gz DWEYMQQJQKXWSC-VIFPVBQESA-N -1 0 329.397 3.521 20 0 EHADRM C[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000739097387 603342158 /nfs/dbraw/zinc/34/21/58/603342158.db2.gz GOWCYIHYTZJJIN-CJNGLKHVSA-N -1 0 333.432 3.839 20 0 EHADRM C[C@@H](C(=O)Nc1ccc2ccccc2n1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823716145 603342631 /nfs/dbraw/zinc/34/26/31/603342631.db2.gz XOZFHYKFTJFMDW-FZKQIMNGSA-N -1 0 349.390 3.818 20 0 EHADRM CCN(Cc1cccc(NC(=O)N(C)Cc2ccoc2C)c1)C(=O)[O-] ZINC000739444789 603344759 /nfs/dbraw/zinc/34/47/59/603344759.db2.gz YDDLNZHBBXJCMW-UHFFFAOYSA-N -1 0 345.399 3.752 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N1C[C@H](C)C[C@H](C)C1)C(=O)[O-] ZINC000739447797 603353943 /nfs/dbraw/zinc/35/39/43/603353943.db2.gz OZZKKIUYDDLQHT-OKILXGFUSA-N -1 0 333.432 3.696 20 0 EHADRM C[C@H](NC(=O)Nc1cccc(CN(C)C(=O)[O-])c1)c1ccccc1 ZINC000738977861 603364038 /nfs/dbraw/zinc/36/40/38/603364038.db2.gz BLJHUBGMOQYDJK-ZDUSSCGKSA-N -1 0 327.384 3.679 20 0 EHADRM CCOc1cccc(NC(=O)[C@H](C)[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000827453746 603370959 /nfs/dbraw/zinc/37/09/59/603370959.db2.gz ZGJYGWIGHKYAAW-DYVFJYSZSA-N -1 0 342.395 3.669 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)NCc2ccc(F)cc2F)cc1 ZINC000825434534 603374328 /nfs/dbraw/zinc/37/43/28/603374328.db2.gz UUQKFNACCJOUOO-SNVBAGLBSA-N -1 0 349.337 3.615 20 0 EHADRM O=C([O-])N1CC[C@@H](CSc2nnc(-c3ccc(Cl)s3)o2)C1 ZINC000740499561 603374511 /nfs/dbraw/zinc/37/45/11/603374511.db2.gz AFFYORQVTXEMFM-SSDOTTSWSA-N -1 0 345.833 3.544 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N(C)[C@@H](C)c2cccnc2)cc1 ZINC000825423802 603375685 /nfs/dbraw/zinc/37/56/85/603375685.db2.gz VHCSGEIMLYXDEM-OLZOCXBDSA-N -1 0 342.399 3.635 20 0 EHADRM CC(C)c1cccc(NC(=S)N[C@H]2CCC[C@@H]2CNC(=O)[O-])c1 ZINC000738875138 603376001 /nfs/dbraw/zinc/37/60/01/603376001.db2.gz BIKYCWRJIQFRHH-HIFRSBDPSA-N -1 0 335.473 3.533 20 0 EHADRM COc1c(F)cc(NC(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1F ZINC000829072520 603376886 /nfs/dbraw/zinc/37/68/86/603376886.db2.gz QPHVQIPHGLBYTD-UHFFFAOYSA-N -1 0 336.294 3.624 20 0 EHADRM C[C@H](C(=O)N(C)c1ccc(F)c(F)c1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823653409 603395127 /nfs/dbraw/zinc/39/51/27/603395127.db2.gz ALZCAIMMGJDADJ-MEDUHNTESA-N -1 0 348.349 3.573 20 0 EHADRM C[C@@H](C(=O)N(C)c1ccc(F)c(F)c1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823653408 603395227 /nfs/dbraw/zinc/39/52/27/603395227.db2.gz ALZCAIMMGJDADJ-BZNIZROVSA-N -1 0 348.349 3.573 20 0 EHADRM C[C@H](c1nc(Cc2ccccc2)no1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000825645304 603408586 /nfs/dbraw/zinc/40/85/86/603408586.db2.gz NTMWIIICAIUNFQ-GUYCJALGSA-N -1 0 337.379 3.773 20 0 EHADRM C[C@H](CC(=O)N(c1ccccc1F)C1CCN(C(=O)[O-])CC1)C1CC1 ZINC000738891777 603433168 /nfs/dbraw/zinc/43/31/68/603433168.db2.gz FHLUGOMGOAKGJM-CYBMUJFWSA-N -1 0 348.418 3.737 20 0 EHADRM Cc1cc(-c2ccccc2)ccc1NC(=O)NCC(C)(C)NC(=O)[O-] ZINC000829889923 603450999 /nfs/dbraw/zinc/45/09/99/603450999.db2.gz VJDSKVISIWPYLB-UHFFFAOYSA-N -1 0 341.411 3.830 20 0 EHADRM CC(C)c1noc2ncc(C(=O)Oc3cccc(NC(=O)[O-])c3)cc21 ZINC000824514878 603477234 /nfs/dbraw/zinc/47/72/34/603477234.db2.gz KYJRHHWKAAYYMA-UHFFFAOYSA-N -1 0 341.323 3.655 20 0 EHADRM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000826639961 603530892 /nfs/dbraw/zinc/53/08/92/603530892.db2.gz RHZOJAXEYUEKIL-MLHJIOFPSA-N -1 0 344.455 3.608 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F)C(F)(F)F ZINC000823711896 603535073 /nfs/dbraw/zinc/53/50/73/603535073.db2.gz FWNDRYZYHYHBNA-YFKPBYRVSA-N -1 0 344.211 3.932 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N1C[C@@H](C)CC[C@H]1C ZINC000829174076 603548730 /nfs/dbraw/zinc/54/87/30/603548730.db2.gz PKPDQQGDFNFSEY-VHSXEESVSA-N -1 0 340.807 3.699 20 0 EHADRM C[C@H](OC(=O)c1ccc(CNC(=O)[O-])cc1)c1ncc(C(C)(C)C)o1 ZINC000825602394 603582882 /nfs/dbraw/zinc/58/28/82/603582882.db2.gz KDCDKJRMXKDWSY-NSHDSACASA-N -1 0 346.383 3.658 20 0 EHADRM C[C@H](CCOc1ccccc1)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000824809314 603615239 /nfs/dbraw/zinc/61/52/39/603615239.db2.gz FPCHEQIXSWLSTL-GFCCVEGCSA-N -1 0 346.358 3.959 20 0 EHADRM Cc1c2c(sc1NC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1)CCCC2 ZINC000829877281 603634065 /nfs/dbraw/zinc/63/40/65/603634065.db2.gz MEEJVVQXGSRZPG-NWDGAFQWSA-N -1 0 336.457 3.700 20 0 EHADRM Cc1noc(C)c1[C@H](C)c1nc(-c2cccc(NC(=O)[O-])c2)no1 ZINC000830904269 603642536 /nfs/dbraw/zinc/64/25/36/603642536.db2.gz NPEZHWXJFAIOSB-QMMMGPOBSA-N -1 0 328.328 3.583 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)NCC(C)(C)NC(=O)[O-] ZINC000829849567 603669427 /nfs/dbraw/zinc/66/94/27/603669427.db2.gz GTLHWJFEIHVTTD-UHFFFAOYSA-N -1 0 340.379 3.670 20 0 EHADRM Cc1ccc2c(c1)N(C(=O)c1ccc(C)c(NC(=O)[O-])c1)C[C@H](C)O2 ZINC000830445437 603679503 /nfs/dbraw/zinc/67/95/03/603679503.db2.gz HAJUAIBXPRVRIE-ZDUSSCGKSA-N -1 0 340.379 3.821 20 0 EHADRM CC(C)(CNC(=S)Nc1ccccc1-c1ccccc1)NC(=O)[O-] ZINC000824005892 603878747 /nfs/dbraw/zinc/87/87/47/603878747.db2.gz NCUKLNHAZBENGU-UHFFFAOYSA-N -1 0 343.452 3.686 20 0 EHADRM CC[C@@H](Oc1ccccc1C)c1nc([C@H](C)CN(C)C(=O)[O-])no1 ZINC000826632849 603880218 /nfs/dbraw/zinc/88/02/18/603880218.db2.gz UKKSQSHGFBUAMU-CHWSQXEVSA-N -1 0 333.388 3.621 20 0 EHADRM CCc1ccc(O)c(NC(=O)[C@H](C)[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000827590001 603896048 /nfs/dbraw/zinc/89/60/48/603896048.db2.gz VTFSNHIPHWUEKV-SJKOYZFVSA-N -1 0 342.395 3.538 20 0 EHADRM CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1ccc(CNc2ccccc2)cc1 ZINC000824144043 603943092 /nfs/dbraw/zinc/94/30/92/603943092.db2.gz RCHFFQINPCLBDG-QGZVFWFLSA-N -1 0 341.411 3.529 20 0 EHADRM CC(C)c1nc(C(=O)Nc2cccc3c2CCN3C(=O)[O-])cs1 ZINC000824481918 603949583 /nfs/dbraw/zinc/94/95/83/603949583.db2.gz CUMQMLBKDLSPFS-UHFFFAOYSA-N -1 0 331.397 3.559 20 0 EHADRM Cc1cc(NC(=O)c2ccc(CNC(=O)[O-])o2)ccc1C(F)(F)F ZINC000830116933 603960313 /nfs/dbraw/zinc/96/03/13/603960313.db2.gz QORWHOBRSDMXDG-UHFFFAOYSA-N -1 0 342.273 3.627 20 0 EHADRM C[C@@H]1CCN(C(=O)CC2CCN(C(=O)[O-])CC2)[C@@H]1c1cccc(F)c1 ZINC000825937828 603960958 /nfs/dbraw/zinc/96/09/58/603960958.db2.gz KTDHSIHIDDAGFS-ACJLOTCBSA-N -1 0 348.418 3.515 20 0 EHADRM C[C@@H](c1ccc(F)cc1)N(C)C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000825629800 603971296 /nfs/dbraw/zinc/97/12/96/603971296.db2.gz IHSYJNPUHFESTP-MACMSNGSSA-N -1 0 348.418 3.656 20 0 EHADRM CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000824346775 603979639 /nfs/dbraw/zinc/97/96/39/603979639.db2.gz OCEQHVXFKVVUOA-DZGCQCFKSA-N -1 0 338.835 3.513 20 0 EHADRM O=C([O-])N[C@H]1CC[C@H](C(=O)Nc2cccc(Nc3ccccc3)c2)C1 ZINC000832287133 603981086 /nfs/dbraw/zinc/98/10/86/603981086.db2.gz MMAUBLCQYNATET-GUYCJALGSA-N -1 0 339.395 3.805 20 0 EHADRM C[C@H](NC(=O)Nc1cccc2c1CCN2C(=O)[O-])c1ccccc1 ZINC000825170496 603988708 /nfs/dbraw/zinc/98/87/08/603988708.db2.gz AYEUEFZPRFRGAJ-LBPRGKRZSA-N -1 0 325.368 3.610 20 0 EHADRM Cc1cccc([C@H](C)C(=O)Nc2cc3c(cc2NC(=O)[O-])OCO3)c1 ZINC000830473194 604011930 /nfs/dbraw/zinc/01/19/30/604011930.db2.gz UXUYMEJMQFVYFX-NSHDSACASA-N -1 0 342.351 3.556 20 0 EHADRM CCCc1ccccc1NC(=O)N1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000826954275 604071663 /nfs/dbraw/zinc/07/16/63/604071663.db2.gz PNWFCZRLQYEJRO-DZGCQCFKSA-N -1 0 333.432 3.539 20 0 EHADRM CO[C@H](C)c1nc(CN2CCCN(C(=O)[O-])c3ccccc32)cs1 ZINC000828830343 604094008 /nfs/dbraw/zinc/09/40/08/604094008.db2.gz KKDNPRDNUVKVOD-GFCCVEGCSA-N -1 0 347.440 3.745 20 0 EHADRM CC(C)c1nc(CNc2ccc(NC(=O)[O-])cc2C(F)(F)F)no1 ZINC000824486620 604130394 /nfs/dbraw/zinc/13/03/94/604130394.db2.gz BQCNLXAGMPAYMO-UHFFFAOYSA-N -1 0 344.293 3.914 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NCc2noc(-c3ccsc3)n2)cc1 ZINC000825449126 604130569 /nfs/dbraw/zinc/13/05/69/604130569.db2.gz KRUSYLROWFXHMO-JTQLQIEISA-N -1 0 344.396 3.739 20 0 EHADRM Cc1ccc(CCCCC(=O)N2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)cc1 ZINC000830296067 604202509 /nfs/dbraw/zinc/20/25/09/604202509.db2.gz FXLUYAFHTRITAN-FUHWJXTLSA-N -1 0 346.471 3.603 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)Oc1ccccc1F ZINC000829193009 604214532 /nfs/dbraw/zinc/21/45/32/604214532.db2.gz VBMOHWBNTAGCMC-UHFFFAOYSA-N -1 0 339.706 3.797 20 0 EHADRM Cc1nc2ccccc2nc1CNc1ccc2c(c1)CCN2C(=O)[O-] ZINC000830793083 604214993 /nfs/dbraw/zinc/21/49/93/604214993.db2.gz MCGXCBUYRXXVKS-UHFFFAOYSA-N -1 0 334.379 3.591 20 0 EHADRM CC(C)c1nc(CN2CCC(N(CC3CC3)C(=O)[O-])CC2)cs1 ZINC000824487548 604235147 /nfs/dbraw/zinc/23/51/47/604235147.db2.gz KBYZCYGGGTVMLS-UHFFFAOYSA-N -1 0 337.489 3.621 20 0 EHADRM C[C@H](OC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1)c1ccc(F)c(Cl)c1 ZINC000825553593 604241583 /nfs/dbraw/zinc/24/15/83/604241583.db2.gz YZDYWVAPHYBQTG-INTQDDNPSA-N -1 0 329.755 3.520 20 0 EHADRM C[C@H](OC(=O)C[C@H](Cc1ccccc1)NC(=O)[O-])c1cccs1 ZINC000825570220 604246654 /nfs/dbraw/zinc/24/66/54/604246654.db2.gz JVZZLIQEIUKEFI-JSGCOSHPSA-N -1 0 333.409 3.621 20 0 EHADRM C[C@H]1CSc2ccccc2N1C(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000826093303 604252197 /nfs/dbraw/zinc/25/21/97/604252197.db2.gz CBNKGKXDSSIKHX-LBPRGKRZSA-N -1 0 342.420 3.595 20 0 EHADRM CC(C)(C(=O)NCCc1ccc(NC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000736224030 604254181 /nfs/dbraw/zinc/25/41/81/604254181.db2.gz TWLDVGCLKDLJTK-UHFFFAOYSA-N -1 0 344.386 3.552 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)cc1F ZINC000833309261 604273248 /nfs/dbraw/zinc/27/32/48/604273248.db2.gz BZECTIWLNVQQIC-MRXNPFEDSA-N -1 0 349.308 3.779 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1cccc(OCC(C)C)c1 ZINC000832847516 604286660 /nfs/dbraw/zinc/28/66/60/604286660.db2.gz UBGBOHCXDQTFDI-UHFFFAOYSA-N -1 0 330.384 3.617 20 0 EHADRM C[C@H](CC(=O)N(C)[C@H](C)c1ccccc1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824550743 604294190 /nfs/dbraw/zinc/29/41/90/604294190.db2.gz IBQBUWAYJVSHLS-INMHGKMJSA-N -1 0 332.444 3.622 20 0 EHADRM CC1(C)C[C@@H](NC(=O)c2ccc(C(=O)[O-])cc2)c2ccc(F)cc2O1 ZINC000345791488 604301555 /nfs/dbraw/zinc/30/15/55/604301555.db2.gz GKNSTBAUAQIGRS-OAHLLOKOSA-N -1 0 343.354 3.556 20 0 EHADRM CC(C)(NC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccc(Cl)cc1 ZINC000826627167 604305154 /nfs/dbraw/zinc/30/51/54/604305154.db2.gz GFOYCACKTKKCGS-UHFFFAOYSA-N -1 0 335.762 3.842 20 0 EHADRM C[C@H](CC(=O)N(C)[C@H](C)c1cccs1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824552440 604310919 /nfs/dbraw/zinc/31/09/19/604310919.db2.gz QLKYQWCOAUJTBC-MGPQQGTHSA-N -1 0 338.473 3.684 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2cccn2Cc2cccs2)c1 ZINC000191340852 604313814 /nfs/dbraw/zinc/31/38/14/604313814.db2.gz DYMGDJVETPTEJH-UHFFFAOYSA-N -1 0 332.406 3.610 20 0 EHADRM O=C([O-])c1cc(NC(=O)N(C2CC2)C2CCCCC2)c(F)cc1F ZINC000833300143 604321476 /nfs/dbraw/zinc/32/14/76/604321476.db2.gz KNDDHVYRQNLZOW-UHFFFAOYSA-N -1 0 338.354 3.992 20 0 EHADRM CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000829050289 604326884 /nfs/dbraw/zinc/32/68/84/604326884.db2.gz OJPMREDONRETHE-LSDHHAIUSA-N -1 0 349.431 3.516 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(NC(=O)[O-])cc2)n1 ZINC000830494293 604337351 /nfs/dbraw/zinc/33/73/51/604337351.db2.gz ZUESXDRCHFMXOY-INIZCTEOSA-N -1 0 340.383 3.849 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)N[C@@](C)(CNC(=O)[O-])C1CC1 ZINC000823858943 604337585 /nfs/dbraw/zinc/33/75/85/604337585.db2.gz FJJVFYABWFWVCU-SFHVURJKSA-N -1 0 333.432 3.542 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2CCC2CCCCC2)nc1 ZINC000577933953 604342220 /nfs/dbraw/zinc/34/22/20/604342220.db2.gz WWLQCKVNIRCADE-MRXNPFEDSA-N -1 0 330.428 3.745 20 0 EHADRM CCOc1ccc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1 ZINC000830060020 604376657 /nfs/dbraw/zinc/37/66/57/604376657.db2.gz XNUWYKBQQXRXLO-QGZVFWFLSA-N -1 0 341.407 3.667 20 0 EHADRM CCc1nc(C)c(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])s1 ZINC000830310222 604377357 /nfs/dbraw/zinc/37/73/57/604377357.db2.gz ZIYDFOPOPBOSQP-OAHLLOKOSA-N -1 0 346.452 3.596 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1cncc2ccccc21)c1ccccc1 ZINC000826106230 604378414 /nfs/dbraw/zinc/37/84/14/604378414.db2.gz VPKMQAWTJYJKJA-GOSISDBHSA-N -1 0 348.402 3.817 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(F)c(Cl)c2)c(F)cc1F ZINC000317107140 604379158 /nfs/dbraw/zinc/37/91/58/604379158.db2.gz QYXCSQPDTFGKBI-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM Cc1ccc(C)c(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])c1 ZINC000832925831 604380756 /nfs/dbraw/zinc/38/07/56/604380756.db2.gz FDGBZTFBKXCPDW-QGZVFWFLSA-N -1 0 325.408 3.885 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000826103186 604383110 /nfs/dbraw/zinc/38/31/10/604383110.db2.gz NUVCJGPUPRACKI-OAHLLOKOSA-N -1 0 331.799 3.922 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1cc(F)cc(F)c1)c1ccccc1 ZINC000826102776 604385627 /nfs/dbraw/zinc/38/56/27/604385627.db2.gz IHUUQTXPSJNPKU-HNNXBMFYSA-N -1 0 333.334 3.547 20 0 EHADRM O=C([O-])Nc1cccc(OCc2cn(-c3ccc(Cl)cc3)nn2)c1 ZINC000833290528 604406587 /nfs/dbraw/zinc/40/65/87/604406587.db2.gz VWNGKFISKCULNV-UHFFFAOYSA-N -1 0 344.758 3.590 20 0 EHADRM Cc1cc(Cl)ncc1NC(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832887002 604407898 /nfs/dbraw/zinc/40/78/98/604407898.db2.gz QGVCRFHQCORFPJ-IAQYHMDHSA-N -1 0 347.802 3.627 20 0 EHADRM C/C(=C/COC(=O)C[C@H](C)c1ccc(Br)cc1)C(=O)[O-] ZINC000825758890 604435403 /nfs/dbraw/zinc/43/54/03/604435403.db2.gz RXGIODJVMJMMHC-BRNRAETOSA-N -1 0 341.201 3.517 20 0 EHADRM Cc1cccc(C)c1C(=O)NCc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000830480632 604453493 /nfs/dbraw/zinc/45/34/93/604453493.db2.gz QVYVKPRBSBZGFZ-CQSZACIVSA-N -1 0 326.396 3.562 20 0 EHADRM Cc1cccc(CNC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])c1 ZINC000832967235 604461229 /nfs/dbraw/zinc/46/12/29/604461229.db2.gz VVSYILFCRFHSAC-QGZVFWFLSA-N -1 0 340.423 3.646 20 0 EHADRM CC(C)(C)O[C@H](C(=O)NCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000833446279 604463061 /nfs/dbraw/zinc/46/30/61/604463061.db2.gz SRWUVKGGKSPUIP-KRWDZBQOSA-N -1 0 341.407 3.557 20 0 EHADRM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000828151747 604482045 /nfs/dbraw/zinc/48/20/45/604482045.db2.gz ZXQAPLIADUJKTI-GXTWGEPZSA-N -1 0 344.436 3.931 20 0 EHADRM CCCC(C)(C)NC(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC000833647928 604491300 /nfs/dbraw/zinc/49/13/00/604491300.db2.gz LTDRAARUHHIAMZ-UHFFFAOYSA-N -1 0 344.415 3.579 20 0 EHADRM O=C([O-])c1csc(NC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000833151885 604495691 /nfs/dbraw/zinc/49/56/91/604495691.db2.gz UNGBNXLNQTZUBO-IUCAKERBSA-N -1 0 336.335 3.689 20 0 EHADRM C[C@@H]1c2c(F)cccc2CCN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000828521122 604497043 /nfs/dbraw/zinc/49/70/43/604497043.db2.gz HOMXJTYKFGQURX-SECBINFHSA-N -1 0 334.372 3.737 20 0 EHADRM C[C@H](NC(=O)Nc1cc(C(=O)[O-])cs1)[C@H]1Oc2ccccc2[C@H]1C ZINC000827664932 604499457 /nfs/dbraw/zinc/49/94/57/604499457.db2.gz MGPVPBRRVSITCC-FTGAXOIBSA-N -1 0 346.408 3.521 20 0 EHADRM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000828151664 604508790 /nfs/dbraw/zinc/50/87/90/604508790.db2.gz XXGIEQPTGSOCLR-BXUZGUMPSA-N -1 0 330.409 3.856 20 0 EHADRM CCS[C@H]1CCCCN(C(=O)Nc2cc(C(=O)[O-])cs2)C1 ZINC000830164070 604513844 /nfs/dbraw/zinc/51/38/44/604513844.db2.gz PAWDKCSTNVIJAO-NSHDSACASA-N -1 0 328.459 3.586 20 0 EHADRM O=C([O-])c1csc(NC(=O)N2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000833342292 604517362 /nfs/dbraw/zinc/51/73/62/604517362.db2.gz JDYSPSVXFFUXGH-NSHDSACASA-N -1 0 334.372 3.607 20 0 EHADRM CCc1noc(C)c1NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000833679585 604519178 /nfs/dbraw/zinc/51/91/78/604519178.db2.gz VAKCODVDDWKZNV-UHFFFAOYSA-N -1 0 331.372 3.552 20 0 EHADRM CCCN(CC(C)C)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000829481896 604527606 /nfs/dbraw/zinc/52/76/06/604527606.db2.gz GFYMZUTYLRXVCF-INIZCTEOSA-N -1 0 334.460 3.916 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)cn1 ZINC000827117795 604549834 /nfs/dbraw/zinc/54/98/34/604549834.db2.gz JRMCCWGWPGSSRE-KRWDZBQOSA-N -1 0 326.396 3.541 20 0 EHADRM Cc1cc([C@H](C)OC(=O)[C@H](C)Oc2ccc(C)cc2)oc1C(=O)[O-] ZINC000832953106 604559407 /nfs/dbraw/zinc/55/94/07/604559407.db2.gz MIZKODUMRIXFIY-STQMWFEESA-N -1 0 332.352 3.666 20 0 EHADRM CC(C)Oc1cccc(CN(C)c2nc(Cl)c(C(=O)[O-])s2)c1 ZINC000833507622 604559843 /nfs/dbraw/zinc/55/98/43/604559843.db2.gz XYAMCYAGEMMDAL-UHFFFAOYSA-N -1 0 340.832 3.918 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2cc(Cl)c(Cl)[nH]2)oc1C(=O)[O-] ZINC000832877388 604561438 /nfs/dbraw/zinc/56/14/38/604561438.db2.gz XXFSWSPFOKYEFJ-ZCFIWIBFSA-N -1 0 332.139 3.839 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)c1ccccc1SCc1ccco1 ZINC000653646652 604582493 /nfs/dbraw/zinc/58/24/93/604582493.db2.gz NOBWBJJJSDCJLX-CYBMUJFWSA-N -1 0 345.420 3.651 20 0 EHADRM CCN(C)[C@@H](C(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1)c1ccccc1 ZINC000829608170 604588411 /nfs/dbraw/zinc/58/84/11/604588411.db2.gz FPBKAQDFRUXHKF-CZUORRHYSA-N -1 0 345.395 3.583 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)C2(c3ccccc3F)CC2)oc1C(=O)[O-] ZINC000832871253 604589400 /nfs/dbraw/zinc/58/94/00/604589400.db2.gz AHDWPKWHAIGTMV-LLVKDONJSA-N -1 0 332.327 3.761 20 0 EHADRM Cc1cc([C@H](C)OC(=O)[C@H]2C[C@@H]2Cc2ccccc2)oc1C(=O)[O-] ZINC000832871419 604597924 /nfs/dbraw/zinc/59/79/24/604597924.db2.gz BLKXLBSEEODQGY-QEJZJMRPSA-N -1 0 328.364 3.769 20 0 EHADRM C[C@H]1CCCC[C@H]1NC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833614148 604602103 /nfs/dbraw/zinc/60/21/03/604602103.db2.gz XMSNORMRAHWIIX-SWLSCSKDSA-N -1 0 336.457 3.954 20 0 EHADRM CC(C)[C@H](C)N(C(=O)NCc1ccc([C@@H](C)NC(=O)[O-])cc1)C1CC1 ZINC000825382487 604619895 /nfs/dbraw/zinc/61/98/95/604619895.db2.gz FEYTVXRDDVJASS-KGLIPLIRSA-N -1 0 347.459 3.734 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000828874321 604653198 /nfs/dbraw/zinc/65/31/98/604653198.db2.gz CWHSQJANHMXVAU-UHFFFAOYSA-N -1 0 330.388 3.611 20 0 EHADRM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000832856002 604665980 /nfs/dbraw/zinc/66/59/80/604665980.db2.gz LCEQWGKZLDZLQK-LSDHHAIUSA-N -1 0 332.444 3.531 20 0 EHADRM Cc1ccccc1-n1cnnc1SCc1ccc(C(=O)[O-])cc1F ZINC000833753596 604671727 /nfs/dbraw/zinc/67/17/27/604671727.db2.gz XFYBFBYGZGZKPV-UHFFFAOYSA-N -1 0 343.383 3.705 20 0 EHADRM CCOc1ccc([C@@H](C)NC(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC000679094494 604674477 /nfs/dbraw/zinc/67/44/77/604674477.db2.gz VXXFJVZXYMIXMP-CQSZACIVSA-N -1 0 341.407 3.594 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)NC1CCC(C(F)(F)F)CC1 ZINC000262196667 604676277 /nfs/dbraw/zinc/67/62/77/604676277.db2.gz OBGYIKCMVQLQNI-UHFFFAOYSA-N -1 0 343.345 3.555 20 0 EHADRM COc1ccc2oc(CN3CCc4ccccc4[C@H]3C(=O)[O-])cc2c1 ZINC000833734854 604676312 /nfs/dbraw/zinc/67/63/12/604676312.db2.gz HDWAVOIFFLYYPI-IBGZPJMESA-N -1 0 337.375 3.625 20 0 EHADRM CCc1cc(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)oc1CC ZINC000830213787 604682558 /nfs/dbraw/zinc/68/25/58/604682558.db2.gz GISBRAKRKBRCPT-UHFFFAOYSA-N -1 0 331.368 3.510 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)c1ccc(F)c(Cl)c1)C(=O)[O-] ZINC000827454549 604695412 /nfs/dbraw/zinc/69/54/12/604695412.db2.gz CJEPBZAIQDXSJY-GFCCVEGCSA-N -1 0 349.789 3.842 20 0 EHADRM COc1ccc(CCCC(=O)OCc2ccc(C(=O)[O-])cc2F)cc1 ZINC000833731589 604701948 /nfs/dbraw/zinc/70/19/48/604701948.db2.gz KRWCNCFMBSEUGC-UHFFFAOYSA-N -1 0 346.354 3.599 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Cc1ccc(F)cc1Cl)c1ccccc1 ZINC000826031888 604703890 /nfs/dbraw/zinc/70/38/90/604703890.db2.gz WFCCNEFZUSXJJF-DIFFPNOSSA-N -1 0 349.789 3.600 20 0 EHADRM Cc1cc([C@H](C)Sc2nnc(NC3CC3)s2)oc1C(=O)[O-] ZINC000832874174 604709898 /nfs/dbraw/zinc/70/98/98/604709898.db2.gz NKVRVOUDMFLQKZ-ZETCQYMHSA-N -1 0 325.415 3.565 20 0 EHADRM Cc1cc([C@@H](C)Sc2n[nH]c(Cc3cccs3)n2)oc1C(=O)[O-] ZINC000832873166 604710377 /nfs/dbraw/zinc/71/03/77/604710377.db2.gz HEBPOKGLDFRLSG-SECBINFHSA-N -1 0 349.437 3.910 20 0 EHADRM C[C@H](OC(=O)c1cnc2ccc(F)cc2c1)c1ccc(C(=O)[O-])o1 ZINC000833534853 604718956 /nfs/dbraw/zinc/71/89/56/604718956.db2.gz DMFCVPAXRBLMFN-VIFPVBQESA-N -1 0 329.283 3.583 20 0 EHADRM CC(C)CN(Cc1ccccc1)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000621541212 604724441 /nfs/dbraw/zinc/72/44/41/604724441.db2.gz WYSVVFIKZQVRPH-UHFFFAOYSA-N -1 0 325.408 3.612 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccccc1 ZINC000828700224 604734287 /nfs/dbraw/zinc/73/42/87/604734287.db2.gz ISNOABNWFXPSLE-BLLLJJGKSA-N -1 0 346.452 3.929 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)O[C@@H](c2ncccn2)C2CCCC2)cc1 ZINC000832838994 604737725 /nfs/dbraw/zinc/73/77/25/604737725.db2.gz OQCSGWFSVMXASF-OAHLLOKOSA-N -1 0 341.367 3.655 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1ccc(C(=O)[O-])s1 ZINC000262784482 604744230 /nfs/dbraw/zinc/74/42/30/604744230.db2.gz MOHFNLHYAMIFEN-NXEZZACHSA-N -1 0 333.384 3.733 20 0 EHADRM O=C([O-])c1ccc2nc(SCc3cccc4nsnc43)oc2c1 ZINC000833326320 604747911 /nfs/dbraw/zinc/74/79/11/604747911.db2.gz NYELTABDKOMMDW-UHFFFAOYSA-N -1 0 343.389 3.823 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(Cl)cc1 ZINC000262900694 604768978 /nfs/dbraw/zinc/76/89/78/604768978.db2.gz GAKMIKXKBDPMIZ-ZDUSSCGKSA-N -1 0 345.773 3.798 20 0 EHADRM COc1cc(NCc2ccc(C(=O)[O-])cc2)ccc1Br ZINC000168934706 604773861 /nfs/dbraw/zinc/77/38/61/604773861.db2.gz FLVJJUKCHCVIRZ-UHFFFAOYSA-N -1 0 336.185 3.768 20 0 EHADRM C/C(=C\c1cccc(Cl)c1)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000761950997 604778473 /nfs/dbraw/zinc/77/84/73/604778473.db2.gz SWQWWHDCYOKBMU-ACCUITESSA-N -1 0 335.831 3.847 20 0 EHADRM CC(C)(C)OC(=O)c1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000833444779 604792285 /nfs/dbraw/zinc/79/22/85/604792285.db2.gz LGMBGIAKVFAVHT-UHFFFAOYSA-N -1 0 341.363 3.592 20 0 EHADRM Cc1cccc(C2=CCN(C(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)CC2)c1 ZINC000191676523 604815759 /nfs/dbraw/zinc/81/57/59/604815759.db2.gz JPPLPWZOMIFDNO-ROUUACIJSA-N -1 0 327.424 3.502 20 0 EHADRM CN(Cc1ccc(Cl)s1)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000830825432 604819887 /nfs/dbraw/zinc/81/98/87/604819887.db2.gz VURTYYCGSVZVTE-UHFFFAOYSA-N -1 0 327.764 3.511 20 0 EHADRM CC(C)COC[C@H](Nc1nc(Cl)c(C(=O)[O-])s1)c1ccco1 ZINC000833489745 604825248 /nfs/dbraw/zinc/82/52/48/604825248.db2.gz ZXRMKNZKOAUSNO-VIFPVBQESA-N -1 0 344.820 3.914 20 0 EHADRM C[C@@H](CSCc1ccccc1)C(=O)N(CC(=O)[O-])c1ccccc1 ZINC000827580380 604825764 /nfs/dbraw/zinc/82/57/64/604825764.db2.gz BESMKTPGOYAQGR-HNNXBMFYSA-N -1 0 343.448 3.674 20 0 EHADRM C[C@@H](CSCc1ccccc1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000827581582 604828284 /nfs/dbraw/zinc/82/82/84/604828284.db2.gz PCSHOSMXPOOAKG-AWEZNQCLSA-N -1 0 343.448 3.571 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc([C@@H](C)Sc2ccccn2)n1 ZINC000824219398 604829331 /nfs/dbraw/zinc/82/93/31/604829331.db2.gz SIPCDEUULANDMZ-GHMZBOCLSA-N -1 0 336.417 3.673 20 0 EHADRM CCn1c2ccc(Cl)cc2nc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000833682456 604839747 /nfs/dbraw/zinc/83/97/47/604839747.db2.gz ARFBVZDCMRVEBZ-UHFFFAOYSA-N -1 0 337.807 3.539 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2Cc3ccccc3C(F)(F)C2)c1 ZINC000833289892 604841570 /nfs/dbraw/zinc/84/15/70/604841570.db2.gz LBKGWOJEEYUMCK-UHFFFAOYSA-N -1 0 332.306 3.524 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)/C=C\c2cccc(F)c2)cc1Cl ZINC000776672219 604848131 /nfs/dbraw/zinc/84/81/31/604848131.db2.gz PUZMHIKOPVCURO-DAXSKMNVSA-N -1 0 349.745 3.594 20 0 EHADRM O=C(CC1CCSCC1)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000831351269 604849332 /nfs/dbraw/zinc/84/93/32/604849332.db2.gz VVZKZYFILCHLHR-UHFFFAOYSA-N -1 0 334.441 3.589 20 0 EHADRM CC(C)Cc1nc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)cs1 ZINC000669434278 604855824 /nfs/dbraw/zinc/85/58/24/604855824.db2.gz CLTYSFWTLBJGDE-ZDUSSCGKSA-N -1 0 344.436 3.560 20 0 EHADRM C[C@@H](CC(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1F ZINC000669435692 604856921 /nfs/dbraw/zinc/85/69/21/604856921.db2.gz ORGBOAULCSASPJ-XJKSGUPXSA-N -1 0 341.382 3.924 20 0 EHADRM CC(C)CCC(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000236688398 604859778 /nfs/dbraw/zinc/85/97/78/604859778.db2.gz QHBWBFAWMPEICV-CYBMUJFWSA-N -1 0 342.233 3.517 20 0 EHADRM CC(C)(C)SCCCC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000833446450 604860858 /nfs/dbraw/zinc/86/08/58/604860858.db2.gz BNPPICWIXVADFA-AWEZNQCLSA-N -1 0 335.469 3.903 20 0 EHADRM Cc1ccc(Cl)c(NC(=O)N2CCC([C@H](C)NC(=O)[O-])CC2)c1 ZINC000830323093 604864266 /nfs/dbraw/zinc/86/42/66/604864266.db2.gz CCJUOJINAZNWLI-NSHDSACASA-N -1 0 339.823 3.548 20 0 EHADRM CCCCOc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000013224265 604867014 /nfs/dbraw/zinc/86/70/14/604867014.db2.gz CSOJMAPPTIPGBT-GOSISDBHSA-N -1 0 341.407 3.811 20 0 EHADRM Cc1ccc(C)c([C@@H]2CCCN2C(=O)CC2CCN(C(=O)[O-])CC2)c1 ZINC000830268596 604868249 /nfs/dbraw/zinc/86/82/49/604868249.db2.gz RLWCQRVDQQTHNG-SFHVURJKSA-N -1 0 344.455 3.747 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC000325412125 604884055 /nfs/dbraw/zinc/88/40/55/604884055.db2.gz DZDAPCYBBDWGDT-CQSZACIVSA-N -1 0 349.858 3.721 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C[C@H]2CCc3ccccc3C2)C1 ZINC000679102956 604885239 /nfs/dbraw/zinc/88/52/39/604885239.db2.gz LQCJHDGAGIWPMT-MAUKXSAKSA-N -1 0 343.467 3.531 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc2c(s1)CCCC2)c1ccccc1 ZINC000013224475 604886101 /nfs/dbraw/zinc/88/61/01/604886101.db2.gz HVKHEIHJUBGCFF-AWEZNQCLSA-N -1 0 329.421 3.573 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)o1 ZINC000326829714 604886863 /nfs/dbraw/zinc/88/68/63/604886863.db2.gz KSRQXNXXHBNTIC-IIAWOOMASA-N -1 0 347.455 3.685 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)[C@@H]1CCCc2sccc21 ZINC000431798642 604888413 /nfs/dbraw/zinc/88/84/13/604888413.db2.gz IEIACIIUGDAFRC-QLFBSQMISA-N -1 0 335.469 3.708 20 0 EHADRM C[C@@]1(NC(=O)Cc2ccc(Cl)c(Cl)c2)CCCC[C@@H]1C(=O)[O-] ZINC000262850938 604888678 /nfs/dbraw/zinc/88/86/78/604888678.db2.gz SHCCRZWBQROISH-BDJLRTHQSA-N -1 0 344.238 3.686 20 0 EHADRM C[C@]1(NC(=O)c2ccc(SC(F)F)cc2)CCCC[C@H]1C(=O)[O-] ZINC000262920837 604889152 /nfs/dbraw/zinc/88/91/52/604889152.db2.gz ZIHWWEWXFYGLMI-LRDDRELGSA-N -1 0 343.395 3.765 20 0 EHADRM C[C@H](C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccc(Cl)s1 ZINC000683323589 604893616 /nfs/dbraw/zinc/89/36/16/604893616.db2.gz AITIVLGNMBTAEW-WDEREUQCSA-N -1 0 343.876 3.854 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@]2(C)CCc3ccccc3C2)C1 ZINC000833553134 604895818 /nfs/dbraw/zinc/89/58/18/604895818.db2.gz OJBZGUPDWKRBEZ-DYESRHJHSA-N -1 0 343.467 3.531 20 0 EHADRM O=C([O-])c1cncc(NC(=O)c2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000833340889 604902667 /nfs/dbraw/zinc/90/26/67/604902667.db2.gz DVHHPNONPKGTMZ-UHFFFAOYSA-N -1 0 330.343 3.603 20 0 EHADRM CC(C)CC[C@H](C)NC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000826845753 604907194 /nfs/dbraw/zinc/90/71/94/604907194.db2.gz YSHGOHQNOPPCNR-NSHDSACASA-N -1 0 342.823 3.750 20 0 EHADRM C[C@H]1CCCCCN1C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000828251302 604913488 /nfs/dbraw/zinc/91/34/88/604913488.db2.gz GGVUUFDLOSZLCZ-NSHDSACASA-N -1 0 340.807 3.600 20 0 EHADRM Cc1nn(Cc2coc(-c3ccc(C)cc3)n2)c(C)c1[C@@H](C)C(=O)[O-] ZINC000833746406 604926689 /nfs/dbraw/zinc/92/66/89/604926689.db2.gz DOBLJMMOMRKOBV-GFCCVEGCSA-N -1 0 339.395 3.700 20 0 EHADRM Cc1ccc(-c2nc(Cn3nc(C)c([C@H](C)C(=O)[O-])c3C)cs2)o1 ZINC000833746936 604926844 /nfs/dbraw/zinc/92/68/44/604926844.db2.gz VRRAJCNDLUPMFV-JTQLQIEISA-N -1 0 345.424 3.761 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)[C@H]1C[C@@H]1c1sccc1C ZINC000833680759 604937847 /nfs/dbraw/zinc/93/78/47/604937847.db2.gz NNJAIVHOBKOVBH-RYUDHWBXSA-N -1 0 334.393 3.757 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)OCc2c3ccccc3sc2C(=O)[O-])CCC1=O ZINC000833588713 604952283 /nfs/dbraw/zinc/95/22/83/604952283.db2.gz JISSRIYONAAPDW-MNOVXSKESA-N -1 0 346.404 3.648 20 0 EHADRM C[C@@]1(NC(=O)c2cncc(-c3ccccc3)c2)CCCC[C@H]1C(=O)[O-] ZINC000833573824 604963135 /nfs/dbraw/zinc/96/31/35/604963135.db2.gz VTEKGOBSPWLWQQ-FXAWDEMLSA-N -1 0 338.407 3.512 20 0 EHADRM CCOc1cccc2cc([C@@H](C)N[C@H](C(=O)[O-])c3cccnc3)oc21 ZINC000830104299 604973379 /nfs/dbraw/zinc/97/33/79/604973379.db2.gz FEWFRXPMVZULJD-PXAZEXFGSA-N -1 0 340.379 3.703 20 0 EHADRM CCC[C@H](C)[C@@H]1CCCN1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000829207761 604973788 /nfs/dbraw/zinc/97/37/88/604973788.db2.gz FAPDRLOSHJCICT-AAEUAGOBSA-N -1 0 339.461 3.593 20 0 EHADRM CCC[C@@H]1CCCC[C@H]1NC(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000829257259 604989960 /nfs/dbraw/zinc/98/99/60/604989960.db2.gz XMLYIUKQRVPOOI-DGCLKSJQSA-N -1 0 339.461 3.641 20 0 EHADRM CCc1nc(NC(=O)C2(c3ccc(F)cc3)CCC2)sc1C(=O)[O-] ZINC000833675294 604997922 /nfs/dbraw/zinc/99/79/22/604997922.db2.gz XGSCBZDIHIZWHA-UHFFFAOYSA-N -1 0 348.399 3.603 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)C/C=C\c2ccc(F)cc2)C1 ZINC000679105708 604998263 /nfs/dbraw/zinc/99/82/63/604998263.db2.gz MDVKROYZAKHXLP-QTLSWZBMSA-N -1 0 333.403 3.578 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)OCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000833456640 605033724 /nfs/dbraw/zinc/03/37/24/605033724.db2.gz SRQMYYUYFHICFM-UHFFFAOYSA-N -1 0 347.194 3.610 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2ccccc2NCc2ccco2)c1 ZINC000833784598 605055521 /nfs/dbraw/zinc/05/55/21/605055521.db2.gz DNHGSWNNZMENSB-UHFFFAOYSA-N -1 0 342.376 3.904 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)OCc1ccccc1CC(=O)[O-] ZINC000833385889 605055779 /nfs/dbraw/zinc/05/57/79/605055779.db2.gz JHYWYZXTONGYRE-JLHYYAGUSA-N -1 0 328.339 3.600 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000190619103 605066382 /nfs/dbraw/zinc/06/63/82/605066382.db2.gz FGMPLCHRBRVVAF-IBGZPJMESA-N -1 0 343.398 3.922 20 0 EHADRM CC(C)C[C@@H](CNC(=O)c1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000191031476 605073457 /nfs/dbraw/zinc/07/34/57/605073457.db2.gz PVMJOYOYDCNIEH-AWEZNQCLSA-N -1 0 345.361 3.658 20 0 EHADRM C[C@H](CC(=O)N[C@H](C(=O)[O-])C1CCCCC1)c1ccc(F)cc1F ZINC000833514114 605085044 /nfs/dbraw/zinc/08/50/44/605085044.db2.gz OABMOUDFHOOAJU-DIFFPNOSSA-N -1 0 339.382 3.608 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](C(=O)[O-])C1CCCCC1)c1ccc(F)cc1F ZINC000833514113 605085463 /nfs/dbraw/zinc/08/54/63/605085463.db2.gz OABMOUDFHOOAJU-APPDUMDISA-N -1 0 339.382 3.608 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000194420527 605088015 /nfs/dbraw/zinc/08/80/15/605088015.db2.gz HGNCUDIVTDEULA-UHFFFAOYSA-N -1 0 333.428 3.941 20 0 EHADRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])c(F)c1)c1nc2ccccc2o1 ZINC000833531593 605090159 /nfs/dbraw/zinc/09/01/59/605090159.db2.gz JKBIOOVKGGPZMA-SECBINFHSA-N -1 0 329.283 3.583 20 0 EHADRM C[C@@H](OC(=O)CCc1ccccc1C(=O)[O-])c1nc2ccccc2o1 ZINC000833527443 605090732 /nfs/dbraw/zinc/09/07/32/605090732.db2.gz CSTJGONZVKWILW-GFCCVEGCSA-N -1 0 339.347 3.763 20 0 EHADRM C[C@H](OC(=O)c1ccc(NC(=O)[O-])cc1)c1nc2ccccc2o1 ZINC000833535762 605090753 /nfs/dbraw/zinc/09/07/53/605090753.db2.gz QKTSGUPZOZAUHS-JTQLQIEISA-N -1 0 326.308 3.836 20 0 EHADRM C[C@@H]1CC[C@@]2(CCN(C(=O)Nc3ccc(N(C)C(=O)[O-])cc3)C2)C1 ZINC000833609077 605093055 /nfs/dbraw/zinc/09/30/55/605093055.db2.gz DXQFHAUJFUFWNI-FZKQIMNGSA-N -1 0 331.416 3.845 20 0 EHADRM CC[C@H](C(=O)Nc1cc(C)c(C(=O)[O-])s1)c1ccc(OC)cc1 ZINC000833635974 605102273 /nfs/dbraw/zinc/10/22/73/605102273.db2.gz CTCOSDUBOXBYNL-ZDUSSCGKSA-N -1 0 333.409 3.896 20 0 EHADRM Cc1cccc(C2(NC(=O)C3CCC(C(=O)[O-])CC3)CCCC2)c1 ZINC000194408933 605107350 /nfs/dbraw/zinc/10/73/50/605107350.db2.gz ZRCKIVLMVSUWOA-UHFFFAOYSA-N -1 0 329.440 3.772 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NCC(C)(C)c1ccc(F)cc1Cl ZINC000190645156 605109421 /nfs/dbraw/zinc/10/94/21/605109421.db2.gz LGSOGYHESXHEAR-UHFFFAOYSA-N -1 0 343.826 3.764 20 0 EHADRM C[C@@H](OC(=O)CC(C)(C)CC(=O)[O-])c1c(F)cccc1-n1cccn1 ZINC000833531753 605111128 /nfs/dbraw/zinc/11/11/28/605111128.db2.gz ZZMASILDWHWMNR-GFCCVEGCSA-N -1 0 348.374 3.507 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NC(c1cccs1)c1cccs1 ZINC000190652250 605111342 /nfs/dbraw/zinc/11/13/42/605111342.db2.gz LHNIOHHDKSRROD-UHFFFAOYSA-N -1 0 337.466 3.906 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000236813372 605113263 /nfs/dbraw/zinc/11/32/63/605113263.db2.gz AEJTXIYHVRXXNJ-UHFFFAOYSA-N -1 0 337.391 3.977 20 0 EHADRM C[C@@H](OC(=O)C1CCC(C(=O)[O-])CC1)c1c(F)cc(F)cc1F ZINC000833526543 605119732 /nfs/dbraw/zinc/11/97/32/605119732.db2.gz GJFPRMXBXOHAGK-XNWIYYODSA-N -1 0 330.302 3.599 20 0 EHADRM CC(C)N(Cc1cccc(F)c1)C(=O)Nc1ccccc1C(=O)[O-] ZINC000833499114 605129421 /nfs/dbraw/zinc/12/94/21/605129421.db2.gz RYAYNGFFIWGFJJ-UHFFFAOYSA-N -1 0 330.359 3.966 20 0 EHADRM CCC(CC)n1nc(C(=O)Nc2cc(C(=O)[O-])ccc2F)cc1C ZINC000191058245 605129840 /nfs/dbraw/zinc/12/98/40/605129840.db2.gz MQMGJPYYHCUSOB-UHFFFAOYSA-N -1 0 333.363 3.642 20 0 EHADRM CCCN(C(=O)Nc1ccc(Br)c(C(=O)[O-])c1)C1CC1 ZINC000132495080 605130375 /nfs/dbraw/zinc/13/03/75/605130375.db2.gz RTXDVTMDRJCRHU-UHFFFAOYSA-N -1 0 341.205 3.554 20 0 EHADRM C[C@@H]1CC[C@@H](C)N1C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000706278629 605130790 /nfs/dbraw/zinc/13/07/90/605130790.db2.gz JDZCKWQCTIIRRV-RKDXNWHRSA-N -1 0 341.205 3.552 20 0 EHADRM CC(C)(C)Oc1cc(F)ccc1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833447162 605137308 /nfs/dbraw/zinc/13/73/08/605137308.db2.gz CRQFWPRJUNBXNK-RYUDHWBXSA-N -1 0 337.391 3.833 20 0 EHADRM C[C@@H](OC(=O)/C=C\c1ccc2[nH]ccc2c1)c1ccc(C(=O)[O-])o1 ZINC000833527589 605140444 /nfs/dbraw/zinc/14/04/44/605140444.db2.gz JYFWTDDIWYGQHV-KGHNQEBZSA-N -1 0 325.320 3.777 20 0 EHADRM Cc1cc(Cl)ncc1NC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000830049931 605146595 /nfs/dbraw/zinc/14/65/95/605146595.db2.gz DMSBGTAMIFXVMK-XHDPSFHLSA-N -1 0 347.802 3.627 20 0 EHADRM C[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc(Br)cc1 ZINC000190601225 605147077 /nfs/dbraw/zinc/14/70/77/605147077.db2.gz MQZPRVWPMQQTQO-JTQLQIEISA-N -1 0 348.196 3.890 20 0 EHADRM C[C@@H]1CSC(SCc2coc(-c3ccc(C(=O)[O-])cc3)n2)=N1 ZINC000833631282 605156533 /nfs/dbraw/zinc/15/65/33/605156533.db2.gz BWBWVKDMGRPKBF-SECBINFHSA-N -1 0 334.422 3.764 20 0 EHADRM C[C@H](Nc1cncc(C(=O)[O-])n1)c1cc(F)c(Cl)cc1Cl ZINC000833524133 605166874 /nfs/dbraw/zinc/16/68/74/605166874.db2.gz AWFGSUGDSQWVDT-LURJTMIESA-N -1 0 330.146 3.794 20 0 EHADRM CC(C)N(C)c1cccc(NC(=O)NC2(CC(=O)[O-])CCCCC2)c1 ZINC000833496099 605167050 /nfs/dbraw/zinc/16/70/50/605167050.db2.gz QPXFAANYJMRQHD-UHFFFAOYSA-N -1 0 347.459 3.830 20 0 EHADRM CC(C)(C)[C@H](NC(=O)Nc1cncc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000833422195 605176562 /nfs/dbraw/zinc/17/65/62/605176562.db2.gz AXQXKDSUWSIQGT-OAHLLOKOSA-N -1 0 345.374 3.828 20 0 EHADRM CCOCCC1(c2nc(-c3cccc(NC(=O)[O-])c3)no2)CCC1 ZINC000827393621 605179236 /nfs/dbraw/zinc/17/92/36/605179236.db2.gz CGGFVQLVMXGNFW-UHFFFAOYSA-N -1 0 331.372 3.675 20 0 EHADRM O=C([O-])c1cccc(COC(=O)c2cccc([C@H]3CCCOC3)c2)c1 ZINC000833783549 605180652 /nfs/dbraw/zinc/18/06/52/605180652.db2.gz PTPOBOBVMWIRSG-SFHVURJKSA-N -1 0 340.375 3.636 20 0 EHADRM C[C@H]1Cc2ccccc2CN1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833632832 605211984 /nfs/dbraw/zinc/21/19/84/605211984.db2.gz OXKPIOYEONIGHW-AWEZNQCLSA-N -1 0 348.402 3.987 20 0 EHADRM C[C@H](OC(=O)c1cccc([C@H]2CCCOC2)c1)c1ccc(C(=O)[O-])o1 ZINC000833536120 605212986 /nfs/dbraw/zinc/21/29/86/605212986.db2.gz UQWNSYBFFXEHBE-WFASDCNBSA-N -1 0 344.363 3.790 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(F)c(Cl)c1F)c1cccs1 ZINC000833772503 605216021 /nfs/dbraw/zinc/21/60/21/605216021.db2.gz AQMOCBLLUDGQBS-SECBINFHSA-N -1 0 345.754 3.626 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)[C@H]2CCCC[C@H]12 ZINC000833624769 605227804 /nfs/dbraw/zinc/22/78/04/605227804.db2.gz UZEZHAQKVXAOFW-XYPHTWIQSA-N -1 0 330.428 3.746 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000262897180 605232312 /nfs/dbraw/zinc/23/23/12/605232312.db2.gz ZOOSPJISFGIKLU-HNNXBMFYSA-N -1 0 341.407 3.748 20 0 EHADRM COc1ccc(NCC2=Cc3ccccc3OC2)cc1NC(=O)[O-] ZINC000829479059 605244629 /nfs/dbraw/zinc/24/46/29/605244629.db2.gz BYINNVSRQLCIAP-UHFFFAOYSA-N -1 0 326.352 3.673 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC000833545823 605253564 /nfs/dbraw/zinc/25/35/64/605253564.db2.gz WCUFCORXECNZQI-SECBINFHSA-N -1 0 336.800 3.553 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC000683317980 605257487 /nfs/dbraw/zinc/25/74/87/605257487.db2.gz CJOVHIMSBZILGM-RDTXWAMCSA-N -1 0 343.398 3.727 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000157269499 605264953 /nfs/dbraw/zinc/26/49/53/605264953.db2.gz ZGUKELCOEOWDTK-UHFFFAOYSA-N -1 0 348.624 3.932 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000649372452 605274006 /nfs/dbraw/zinc/27/40/06/605274006.db2.gz NGHSRRUMCBBXKH-ZDUSSCGKSA-N -1 0 339.819 3.561 20 0 EHADRM CCn1c2ccc(C)cc2nc1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000833684372 605274862 /nfs/dbraw/zinc/27/48/62/605274862.db2.gz ZPUNUWBHPHSALM-UHFFFAOYSA-N -1 0 338.367 3.707 20 0 EHADRM C[C@H]1Cc2ccccc2[C@H]1NC(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833631302 605283159 /nfs/dbraw/zinc/28/31/59/605283159.db2.gz CKDPFKYHCXBZKQ-QFYYESIMSA-N -1 0 343.358 3.971 20 0 EHADRM CC(C)(C)OC(=O)N1CCC[C@H](Nc2cccc(NC(=O)[O-])c2)CC1 ZINC000833436106 605300086 /nfs/dbraw/zinc/30/00/86/605300086.db2.gz CZRJHTWOYXEZQZ-ZDUSSCGKSA-N -1 0 349.431 3.978 20 0 EHADRM C[C@@H](Cc1noc(CSc2ccccc2Cl)n1)N(C)C(=O)[O-] ZINC000825047497 605301516 /nfs/dbraw/zinc/30/15/16/605301516.db2.gz GLWQPSSZCISMRU-VIFPVBQESA-N -1 0 341.820 3.556 20 0 EHADRM CCc1oc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)cc1C ZINC000431879546 605302555 /nfs/dbraw/zinc/30/25/55/605302555.db2.gz AIOVVMXVGIBJGO-SFHVURJKSA-N -1 0 337.375 3.859 20 0 EHADRM CC(=O)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)cc1 ZINC000191476296 605303669 /nfs/dbraw/zinc/30/36/69/605303669.db2.gz UJWCDHBFTOGDIU-LJQANCHMSA-N -1 0 347.370 3.598 20 0 EHADRM C[C@H](Oc1cccc(Cl)c1)C(=O)OCc1ccc(NC(=O)[O-])cc1 ZINC000833541006 605305069 /nfs/dbraw/zinc/30/50/69/605305069.db2.gz PEJFLUHCHCBZEM-NSHDSACASA-N -1 0 349.770 3.941 20 0 EHADRM Cc1ccc(C)c(SCc2nc(C[C@H](C)N(C)C(=O)[O-])no2)c1 ZINC000830274248 605315910 /nfs/dbraw/zinc/31/59/10/605315910.db2.gz GTINIABFFNDDMN-LBPRGKRZSA-N -1 0 335.429 3.520 20 0 EHADRM CC[C@@H]1CN(C(=O)CCCCc2ccc(C)cc2)CC[C@@H]1NC(=O)[O-] ZINC000833850999 605340977 /nfs/dbraw/zinc/34/09/77/605340977.db2.gz YJSIBINJDYGNGZ-MSOLQXFVSA-N -1 0 346.471 3.603 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)Nc2ccc(-c3ncco3)cc2)cc1 ZINC000834256454 605358786 /nfs/dbraw/zinc/35/87/86/605358786.db2.gz QOOSVSOULNZIFI-UHFFFAOYSA-N -1 0 337.335 3.613 20 0 EHADRM C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000833608602 605361415 /nfs/dbraw/zinc/36/14/15/605361415.db2.gz NNCRZRFZCHKJMV-OLZOCXBDSA-N -1 0 327.380 3.678 20 0 EHADRM C[C@H](OC(=O)CCNC(=O)[O-])c1ccc(SC(F)(F)F)cc1 ZINC000833530378 605368544 /nfs/dbraw/zinc/36/85/44/605368544.db2.gz SQLLGCIWKIZEDT-QMMMGPOBSA-N -1 0 337.319 3.560 20 0 EHADRM CC(C)(C)OC1CCN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC000833446008 605375739 /nfs/dbraw/zinc/37/57/39/605375739.db2.gz MHNXZDOWKLYKFG-OAHLLOKOSA-N -1 0 343.826 3.884 20 0 EHADRM Cc1nnc(SC2CCN(C(=O)[O-])CC2)n1[C@H]1CCC[C@H](C)C1 ZINC000833928865 605388604 /nfs/dbraw/zinc/38/86/04/605388604.db2.gz VCEWFPRDABQLRZ-AAEUAGOBSA-N -1 0 338.477 3.572 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N(C)C[C@H]1CC=CCC1)C(=O)[O-] ZINC000630297159 605395464 /nfs/dbraw/zinc/39/54/64/605395464.db2.gz MLLCTEZQTYISTM-KBPBESRZSA-N -1 0 333.453 3.680 20 0 EHADRM COc1cc2ccncc2cc1OC(=O)c1cccc(NC(=O)[O-])c1 ZINC000833729369 605406206 /nfs/dbraw/zinc/40/62/06/605406206.db2.gz BQUVZIOMSHFEEL-UHFFFAOYSA-N -1 0 338.319 3.553 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000833383741 605419355 /nfs/dbraw/zinc/41/93/55/605419355.db2.gz NOWZNMGVUXEDAD-VOMSXAGXSA-N -1 0 329.421 3.792 20 0 EHADRM C[C@H](c1ccc(F)cc1)N(C)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000833548695 605437932 /nfs/dbraw/zinc/43/79/32/605437932.db2.gz RPHBOPNIHUBZNL-CYBMUJFWSA-N -1 0 336.407 3.563 20 0 EHADRM Cc1cc(C(=O)N(C)[C@H](C)c2cccc(O)c2)ccc1NC(=O)[O-] ZINC000829909338 605444849 /nfs/dbraw/zinc/44/48/49/605444849.db2.gz OQZQAQDJUGSRBI-GFCCVEGCSA-N -1 0 328.368 3.624 20 0 EHADRM CC(C)(C)OCc1ccccc1C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000833445481 605469730 /nfs/dbraw/zinc/46/97/30/605469730.db2.gz HYTYKSWUNSHJSS-UHFFFAOYSA-N -1 0 347.455 3.767 20 0 EHADRM CC(C)(C)OC(=O)NC1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000305116480 605479836 /nfs/dbraw/zinc/47/98/36/605479836.db2.gz TXRIARSVHXWLCD-UHFFFAOYSA-N -1 0 334.416 3.633 20 0 EHADRM C[C@H](C(=O)O[C@H](C(=O)[O-])c1c(F)cccc1Cl)c1ccco1 ZINC000833404983 605510143 /nfs/dbraw/zinc/51/01/43/605510143.db2.gz AJZVFRXIESNPML-SDBXPKJASA-N -1 0 326.707 3.545 20 0 EHADRM CC(C)c1ncc(C(=O)Nc2ccccc2CN(C)C(=O)[O-])s1 ZINC000824495040 605529486 /nfs/dbraw/zinc/52/94/86/605529486.db2.gz CHTLSBIVXUAIMK-UHFFFAOYSA-N -1 0 333.413 3.629 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)N2CCCC23CCCCC3)c1 ZINC000834246701 605550064 /nfs/dbraw/zinc/55/00/64/605550064.db2.gz BUFHEVVYSOUQQV-UHFFFAOYSA-N -1 0 331.416 3.785 20 0 EHADRM O=C([O-])N[C@@H](CC(=O)Oc1cccc2ncccc21)c1ccccc1 ZINC000834130753 605579648 /nfs/dbraw/zinc/57/96/48/605579648.db2.gz RLAZVTILBXQOCD-INIZCTEOSA-N -1 0 336.347 3.539 20 0 EHADRM O=C([O-])N[C@H](CC(=O)N(Cc1cccs1)C1CC1)c1ccccc1 ZINC000832094966 605579945 /nfs/dbraw/zinc/57/99/45/605579945.db2.gz XIHFCKGFLOGKQO-MRXNPFEDSA-N -1 0 344.436 3.638 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N(CC2CC2)C2CCCCC2)c(O)c1 ZINC000834254604 605647517 /nfs/dbraw/zinc/64/75/17/605647517.db2.gz ANGXTAAHFRXXTL-UHFFFAOYSA-N -1 0 332.400 3.667 20 0 EHADRM Cc1cc(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)ccc1NC(=O)[O-] ZINC000829939353 605653110 /nfs/dbraw/zinc/65/31/10/605653110.db2.gz CZIODPCRNBYPQP-GOEBONIOSA-N -1 0 328.343 3.510 20 0 EHADRM Cc1cc(C(=O)Nc2ccc3scnc3c2)ccc1NC(=O)[O-] ZINC000829965843 605657356 /nfs/dbraw/zinc/65/73/56/605657356.db2.gz LQNLNLVFDCUKJZ-UHFFFAOYSA-N -1 0 327.365 3.947 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)Nc2cccc3ccc(O)cc32)cc1 ZINC000834248891 605665285 /nfs/dbraw/zinc/66/52/85/605665285.db2.gz KFTVACZKSHANJV-UHFFFAOYSA-N -1 0 336.347 3.565 20 0 EHADRM O=C([O-])c1cccc(COC(=O)c2ccc([C@@H]3CCCOC3)cc2)c1 ZINC000833783502 605674926 /nfs/dbraw/zinc/67/49/26/605674926.db2.gz LSTZLJAXGHAOLI-GOSISDBHSA-N -1 0 340.375 3.636 20 0 EHADRM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000833603462 605675710 /nfs/dbraw/zinc/67/57/10/605675710.db2.gz BEDPNPXQTRWJCP-YPMHNXCESA-N -1 0 343.345 3.507 20 0 EHADRM Cc1cc(C(=O)N(C[C@H]2CCCO2)C2CCCC2)ccc1NC(=O)[O-] ZINC000829914474 605701681 /nfs/dbraw/zinc/70/16/81/605701681.db2.gz LDCDRZFTMCUMRH-MRXNPFEDSA-N -1 0 346.427 3.649 20 0 EHADRM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000833606310 605709497 /nfs/dbraw/zinc/70/94/97/605709497.db2.gz OMGXXJNQEVCNPT-JQWIXIFHSA-N -1 0 344.333 3.508 20 0 EHADRM Cc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2Cl)o1 ZINC000833747756 605715767 /nfs/dbraw/zinc/71/57/67/605715767.db2.gz IGSZITSMWUVKIM-LBPRGKRZSA-N -1 0 329.135 3.878 20 0 EHADRM Cc1[nH]c(C(=O)Nc2ccc3cccc(Cl)c3n2)c(C)c1C(=O)[O-] ZINC000833740233 605740769 /nfs/dbraw/zinc/74/07/69/605740769.db2.gz QCGUUSZUYOPPIM-UHFFFAOYSA-N -1 0 343.770 3.784 20 0 EHADRM COc1ccc(NC(=O)Cc2cccc(NC(=O)[O-])c2)cc1Cl ZINC000833889518 605756794 /nfs/dbraw/zinc/75/67/94/605756794.db2.gz RFJQTILUTVDEBA-UHFFFAOYSA-N -1 0 334.759 3.620 20 0 EHADRM CCCCCOc1ccc(C(=O)N2CC[C@@H](NC(=O)[O-])C[C@@H]2C)cc1 ZINC000826826082 605775868 /nfs/dbraw/zinc/77/58/68/605775868.db2.gz OFJLMPCOLFQJDV-GOEBONIOSA-N -1 0 348.443 3.516 20 0 EHADRM CC(C)NC(=O)c1ccc(NCc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000833502090 605783596 /nfs/dbraw/zinc/78/35/96/605783596.db2.gz MXJWBDXHAJHPSA-UHFFFAOYSA-N -1 0 346.814 3.789 20 0 EHADRM COc1ccc(CCCCCC(=O)N2CCCCC[C@H]2C(=O)[O-])cc1 ZINC000833731848 605796466 /nfs/dbraw/zinc/79/64/66/605796466.db2.gz NXSCOAKTKFQBEK-SFHVURJKSA-N -1 0 347.455 3.654 20 0 EHADRM CCc1nc2cc(NC(=O)Cc3cccc(NC(=O)[O-])c3)ccc2o1 ZINC000833867010 605802599 /nfs/dbraw/zinc/80/25/99/605802599.db2.gz UAQGBKDQTVGRPN-UHFFFAOYSA-N -1 0 339.351 3.661 20 0 EHADRM C/C(=C/C(=O)Oc1ccc(CC(=O)[O-])cc1F)c1ccc(F)cc1 ZINC000833381443 605803585 /nfs/dbraw/zinc/80/35/85/605803585.db2.gz BVZOJSMOPICVPX-FLIBITNWSA-N -1 0 332.302 3.601 20 0 EHADRM O=C([O-])c1ccc(F)c(COC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000833781264 605814832 /nfs/dbraw/zinc/81/48/32/605814832.db2.gz XPSCEFYLMLLKIN-JQWIXIFHSA-N -1 0 348.292 3.936 20 0 EHADRM O=C([O-])c1ccc(F)c(COC(=O)[C@H]2CCSc3ccccc32)c1 ZINC000833781224 605816737 /nfs/dbraw/zinc/81/67/37/605816737.db2.gz WDSBXHUATRKFDK-AWEZNQCLSA-N -1 0 346.379 3.847 20 0 EHADRM O=C([O-])NCCCCC(=O)NCC1CCC(c2ccccc2)CC1 ZINC000834236250 605896243 /nfs/dbraw/zinc/89/62/43/605896243.db2.gz RHYRPZAVTAXSBC-UHFFFAOYSA-N -1 0 332.444 3.515 20 0 EHADRM C[C@H](OC(=O)c1cc(C(=O)[O-])no1)c1cc(Cl)ccc1Cl ZINC000833531963 605906107 /nfs/dbraw/zinc/90/61/07/605906107.db2.gz LXTZJZYTAPBHJC-LURJTMIESA-N -1 0 330.123 3.598 20 0 EHADRM O=C([O-])NCCCCC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000834236303 605917896 /nfs/dbraw/zinc/91/78/96/605917896.db2.gz MWHUCQQETSNNDH-KRWDZBQOSA-N -1 0 336.407 3.611 20 0 EHADRM CN(C(=O)CC/C=C\c1ccccc1)C1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000833869189 605918673 /nfs/dbraw/zinc/91/86/73/605918673.db2.gz LHKJHMGGTXNDLO-KYAZDKIMSA-N -1 0 342.439 3.612 20 0 EHADRM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2Cc1csc(-c2ccco2)n1 ZINC000832239374 605942304 /nfs/dbraw/zinc/94/23/04/605942304.db2.gz FUBZZTLANOYZGI-QXMXGUDHSA-N -1 0 347.440 3.556 20 0 EHADRM Cc1noc(C)c1[C@H](C)CC(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000833930504 605995015 /nfs/dbraw/zinc/99/50/15/605995015.db2.gz SHLRQDSVHCKEBZ-SNVBAGLBSA-N -1 0 332.356 3.505 20 0 EHADRM O=C([O-])N[C@@H](CC(F)F)C(=O)Nc1ccccc1-c1cccs1 ZINC000834132372 606006290 /nfs/dbraw/zinc/00/62/90/606006290.db2.gz DZSBEIKIGNMCFP-NSHDSACASA-N -1 0 340.351 3.645 20 0 EHADRM Cc1noc(C(F)F)c1C(=O)Nc1cc(NC(=O)[O-])ccc1C ZINC000833906282 606008552 /nfs/dbraw/zinc/00/85/52/606008552.db2.gz NAGVMIPDWIAJQD-UHFFFAOYSA-N -1 0 325.271 3.571 20 0 EHADRM O=C([O-])NC1(c2noc(/C=C\c3ccc4[nH]ccc4c3)n2)CCCC1 ZINC000834157953 606010408 /nfs/dbraw/zinc/01/04/08/606010408.db2.gz MUIKFNYXKIUIFW-XQRVVYSFSA-N -1 0 338.367 3.758 20 0 EHADRM COCCN(C(=O)Nc1cc(NC(=O)[O-])ccc1C)C1CCCC1 ZINC000833883762 606011492 /nfs/dbraw/zinc/01/14/92/606011492.db2.gz RRCQNDBAIZGNJD-UHFFFAOYSA-N -1 0 335.404 3.508 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2nc3ccccc3n2C2CC2)c1 ZINC000834263604 606029989 /nfs/dbraw/zinc/02/99/89/606029989.db2.gz COXCJXONYRSYME-UHFFFAOYSA-N -1 0 336.351 3.713 20 0 EHADRM O=C([O-])N1CCCc2cccc(OC[C@H](O)c3c(F)cccc3F)c21 ZINC000834117484 606038524 /nfs/dbraw/zinc/03/85/24/606038524.db2.gz YUQBVJHAFPADCV-AWEZNQCLSA-N -1 0 349.333 3.508 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N1CCC[C@@H]1c1cccs1 ZINC000834271189 606042145 /nfs/dbraw/zinc/04/21/45/606042145.db2.gz QRSMZBVJAXQCGF-CQSZACIVSA-N -1 0 330.409 3.744 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)NCC1(c2ccccc2)CCC1 ZINC000834271840 606042819 /nfs/dbraw/zinc/04/28/19/606042819.db2.gz AYVGOPYAYLKETR-UHFFFAOYSA-N -1 0 338.407 3.557 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)Nc1ccc2ncsc2c1 ZINC000834274821 606049219 /nfs/dbraw/zinc/04/92/19/606049219.db2.gz XVVQYFHGENMAEY-UHFFFAOYSA-N -1 0 327.365 3.567 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000834271436 606062414 /nfs/dbraw/zinc/06/24/14/606062414.db2.gz SFULPMXLEBAMOA-LJQANCHMSA-N -1 0 328.412 3.668 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)cc1 ZINC000834254827 606072278 /nfs/dbraw/zinc/07/22/78/606072278.db2.gz DHKALHPXBMTNTD-UHFFFAOYSA-N -1 0 346.412 3.928 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@@H]2CCSc3c(F)cccc32)cc1 ZINC000834257778 606072361 /nfs/dbraw/zinc/07/23/61/606072361.db2.gz OIGGZSAEEDZUSE-CQSZACIVSA-N -1 0 346.383 3.883 20 0 EHADRM O=C([O-])Nc1ccc(Cc2nc(C(=O)OC3CCCC3)cs2)cc1 ZINC000834260253 606072376 /nfs/dbraw/zinc/07/23/76/606072376.db2.gz PFEUUGOIWOFQAE-UHFFFAOYSA-N -1 0 346.408 3.923 20 0 EHADRM Cc1ccncc1/C=C\c1nc([C@@H]2CCCCCN2C(=O)[O-])no1 ZINC000833909224 606076342 /nfs/dbraw/zinc/07/63/42/606076342.db2.gz CDAARVIVVYPQPB-AFNCTOJWSA-N -1 0 328.372 3.539 20 0 EHADRM CSc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)o1 ZINC000191491711 939038489 /nfs/dbraw/zinc/03/84/89/939038489.db2.gz JIIHXKFGOPFYFT-INIZCTEOSA-N -1 0 341.388 3.710 20 0 EHADRM CC(C)c1cc(C(=O)NC2(C(=O)[O-])CCCCCC2)nn1C(C)(C)C ZINC000236604039 939043845 /nfs/dbraw/zinc/04/38/45/939043845.db2.gz QOPGIYFOJCKBMX-UHFFFAOYSA-N -1 0 349.475 3.669 20 0 EHADRM Cc1[nH]c2ccc(C(=O)NC3(C(=O)[O-])CCC(C)CC3)cc2c1C ZINC000236819010 939044813 /nfs/dbraw/zinc/04/48/13/939044813.db2.gz JLUZNSNJJNCMEO-UHFFFAOYSA-N -1 0 328.412 3.548 20 0 EHADRM CCCCc1ccc(NC(=O)NC2(C(=O)[O-])CCSCC2)cc1 ZINC000684745069 939047099 /nfs/dbraw/zinc/04/70/99/939047099.db2.gz IHZQAVIOEAEGND-UHFFFAOYSA-N -1 0 336.457 3.501 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000237538198 939047159 /nfs/dbraw/zinc/04/71/59/939047159.db2.gz ODEVIOQZCMFGLA-NSHDSACASA-N -1 0 341.860 3.724 20 0 EHADRM Cc1sc(C(=O)NC2(C(=O)[O-])CCC2)cc1-c1ccc(F)cc1 ZINC000237697785 939048239 /nfs/dbraw/zinc/04/82/39/939048239.db2.gz MPYYAYLUKLWQSO-UHFFFAOYSA-N -1 0 333.384 3.600 20 0 EHADRM CC[C@](NC(=O)c1cc(C)oc1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000261986402 939058190 /nfs/dbraw/zinc/05/81/90/939058190.db2.gz CNNLOWMZEJIPLH-QGZVFWFLSA-N -1 0 335.787 3.670 20 0 EHADRM CC[C@](NC(=O)[C@@H]1C[C@@H]1c1sccc1C)(C(=O)[O-])c1ccccc1 ZINC000262072619 939059319 /nfs/dbraw/zinc/05/93/19/939059319.db2.gz DDWYFNVUMDRTAT-QMTMVMCOSA-N -1 0 343.448 3.666 20 0 EHADRM O=C([O-])C1(NC(=O)COc2cccc3ccccc32)CCCCCC1 ZINC000746365292 939060845 /nfs/dbraw/zinc/06/08/45/939060845.db2.gz ITYBWJBTWOOECM-UHFFFAOYSA-N -1 0 341.407 3.512 20 0 EHADRM O=C(/C=C/c1ccsc1)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000762206837 939071469 /nfs/dbraw/zinc/07/14/69/939071469.db2.gz PTJNIOKAIMPZOU-KRZKXXONSA-N -1 0 337.400 3.857 20 0 EHADRM C[C@](NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC000766961765 939082739 /nfs/dbraw/zinc/08/27/39/939082739.db2.gz JMYIZJPJAMLQBM-FRQCXROJSA-N -1 0 343.810 3.560 20 0 EHADRM CC[C@](NC(=O)[C@H](C)c1c(F)cccc1F)(C(=O)[O-])c1ccccc1 ZINC000263048023 939095134 /nfs/dbraw/zinc/09/51/34/939095134.db2.gz FERHWBGEPNRVSU-CWTRNNRKSA-N -1 0 347.361 3.575 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC000263136757 939103101 /nfs/dbraw/zinc/10/31/01/939103101.db2.gz TXKPNNGLAADRRB-OAGGEKHMSA-N -1 0 343.448 3.719 20 0 EHADRM CCCc1occc1C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000263545402 939115086 /nfs/dbraw/zinc/11/50/86/939115086.db2.gz TVGXKOZZDGGKSY-CQSZACIVSA-N -1 0 339.750 3.580 20 0 EHADRM C[C@@](NC(=O)CSc1ccccc1Cl)(C(=O)[O-])c1ccccc1 ZINC000320537426 939123484 /nfs/dbraw/zinc/12/34/84/939123484.db2.gz QNEDJZMKXQPHER-KRWDZBQOSA-N -1 0 349.839 3.548 20 0 EHADRM CSc1ccc(NC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000320245889 939123620 /nfs/dbraw/zinc/12/36/20/939123620.db2.gz HIEWRISEFCMBRW-QGZVFWFLSA-N -1 0 330.409 3.530 20 0 EHADRM CCCCc1ccc(CC(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000323894417 939125513 /nfs/dbraw/zinc/12/55/13/939125513.db2.gz OCDHEPZBIYVRBY-LJQANCHMSA-N -1 0 325.408 3.514 20 0 EHADRM CC[C@](NC(=O)Nc1ccc(C)cc1C)(C(=O)[O-])c1ccccc1 ZINC000788320719 939149790 /nfs/dbraw/zinc/14/97/90/939149790.db2.gz DRSTVJYROJBSLS-LJQANCHMSA-N -1 0 326.396 3.815 20 0 EHADRM CC[C@](NC(=O)Nc1ccccc1Cl)(C(=O)[O-])c1ccccc1 ZINC000788320955 939150451 /nfs/dbraw/zinc/15/04/51/939150451.db2.gz PAOBYIPREVBZQK-QGZVFWFLSA-N -1 0 332.787 3.852 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1cccc(F)c1)c1cccc2ccccc21 ZINC000788323751 939151880 /nfs/dbraw/zinc/15/18/80/939151880.db2.gz YKTWSADMUMKSDH-KRWDZBQOSA-N -1 0 338.338 3.926 20 0 EHADRM O=C([O-])[C@H](NC(=O)NC1CCCCC1)c1cccc2ccccc21 ZINC000797703485 939159750 /nfs/dbraw/zinc/15/97/50/939159750.db2.gz YJOJVKOLQORFPQ-QGZVFWFLSA-N -1 0 326.396 3.597 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)c1C ZINC000797725172 939188361 /nfs/dbraw/zinc/18/83/61/939188361.db2.gz VUACOVVKPGBOQG-YWZLYKJASA-N -1 0 340.423 3.664 20 0 EHADRM Cc1ccc(/C=C\CC(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000832927737 939221071 /nfs/dbraw/zinc/22/10/71/939221071.db2.gz JWJMNXWVJHAIQM-LHRDXKRPSA-N -1 0 345.345 3.619 20 0 EHADRM CC(C)C(=O)c1ccc([C@H](C)C(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC000836717682 939223459 /nfs/dbraw/zinc/22/34/59/939223459.db2.gz XFZVFUMULXETIS-AWEZNQCLSA-N -1 0 345.439 3.533 20 0 EHADRM CC[C@](NC(=O)c1ccc(-c2ccccc2)[nH]1)(C(=O)[O-])c1ccccc1 ZINC000485360785 939225831 /nfs/dbraw/zinc/22/58/31/939225831.db2.gz RGRLVJTYDPUYET-OAQYLSRUSA-N -1 0 348.402 3.802 20 0 EHADRM Cc1cccc(Oc2ccc(NC(=O)NC3(C(=O)[O-])CCC3)cc2)c1 ZINC000514773264 939238467 /nfs/dbraw/zinc/23/84/67/939238467.db2.gz YDSPUWZBEJMUMJ-UHFFFAOYSA-N -1 0 340.379 3.916 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)N[C@H](C(=O)[O-])c2cccs2)c1C ZINC000516704774 939245767 /nfs/dbraw/zinc/24/57/67/939245767.db2.gz CHYXWKWEFMMCFM-WFASDCNBSA-N -1 0 332.425 3.551 20 0 EHADRM Cc1nc2ccc(NC(=O)N[C@@H](C(=O)[O-])c3ccccc3)cc2s1 ZINC000520343230 939254614 /nfs/dbraw/zinc/25/46/14/939254614.db2.gz GLMGKGYHNIHVHM-OAHLLOKOSA-N -1 0 341.392 3.552 20 0 EHADRM CC1(C)CCC[C@](NC(=O)/C=C\SCc2ccco2)(C(=O)[O-])C1 ZINC000864168338 939254629 /nfs/dbraw/zinc/25/46/29/939254629.db2.gz IUOCYTLARCRIKS-XBMZPMPPSA-N -1 0 337.441 3.566 20 0 EHADRM CC[C@H](C)c1cccc(NC(=O)N[C@@H](C(=O)[O-])c2cccnc2)c1 ZINC000864582915 939258893 /nfs/dbraw/zinc/25/88/93/939258893.db2.gz IMXLSTZJHOBKCN-BLLLJJGKSA-N -1 0 327.384 3.543 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CCCc1ccccc1)c1ccc(Cl)c(F)c1 ZINC000537365766 939265620 /nfs/dbraw/zinc/26/56/20/939265620.db2.gz CWGRGYCLLAJTQC-KRWDZBQOSA-N -1 0 349.789 3.744 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2ccc([C@@H](F)C(F)(F)F)cc2)CCCC1 ZINC000887382440 939266650 /nfs/dbraw/zinc/26/66/50/939266650.db2.gz IBPPMBNELYXHSW-LLVKDONJSA-N -1 0 348.296 3.778 20 0 EHADRM Cc1ccc(-c2ccc(C)c(NC(=O)NC3(C(=O)[O-])CCC3)c2)o1 ZINC000900346847 939278890 /nfs/dbraw/zinc/27/88/90/939278890.db2.gz OMQVYYFUFROCFO-UHFFFAOYSA-N -1 0 328.368 3.692 20 0 EHADRM Cc1cccc(CCC(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000539568016 939281212 /nfs/dbraw/zinc/28/12/12/939281212.db2.gz CXSDSHLMAQYAJO-QGZVFWFLSA-N -1 0 331.799 3.523 20 0 EHADRM Cc1cccc([C@H](C)C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000540667067 939289619 /nfs/dbraw/zinc/28/96/19/939289619.db2.gz SCHOBQLYJMYXOC-MEDUHNTESA-N -1 0 349.789 3.833 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1csc(C2CCCCC2)c1)c1cccnc1 ZINC000907786768 939301211 /nfs/dbraw/zinc/30/12/11/939301211.db2.gz XROLAMKOUUNWOY-INIZCTEOSA-N -1 0 344.436 3.747 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)N[C@@H](C(=O)[O-])c2ccsc2)c1C ZINC000562458244 939331282 /nfs/dbraw/zinc/33/12/82/939331282.db2.gz QNUXVGJNOMCQBV-SWLSCSKDSA-N -1 0 332.425 3.551 20 0 EHADRM CCC1(CNC(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC000562458935 939331678 /nfs/dbraw/zinc/33/16/78/939331678.db2.gz JPEMSWRJUKVBKT-GFCCVEGCSA-N -1 0 345.226 3.609 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)NC2(C(=O)[O-])CCCCCC2)c1 ZINC000563589926 939339455 /nfs/dbraw/zinc/33/94/55/939339455.db2.gz QWMOIUIRDYWJQC-CYBMUJFWSA-N -1 0 334.416 3.693 20 0 EHADRM O=C([O-])[C@@H](NC(=O)NC[C@@H]1CC=CCC1)c1ccc2ccccc2c1 ZINC000565694763 939350424 /nfs/dbraw/zinc/35/04/24/939350424.db2.gz JSLLLJCGTDFOCX-KDOFPFPSSA-N -1 0 338.407 3.621 20 0 EHADRM O=C([O-])[C@H](NC(=O)NC[C@H]1CC=CCC1)c1ccc2ccccc2c1 ZINC000565694762 939350605 /nfs/dbraw/zinc/35/06/05/939350605.db2.gz JSLLLJCGTDFOCX-KBXCAEBGSA-N -1 0 338.407 3.621 20 0 EHADRM Cc1cccc(CNC(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)c1 ZINC000565752826 939351187 /nfs/dbraw/zinc/35/11/87/939351187.db2.gz MBIUANLMJRGQRT-IBGZPJMESA-N -1 0 348.402 3.773 20 0 EHADRM Cc1cccc([C@H](NC(=O)NCc2ccc(Cl)cc2)C(=O)[O-])c1C ZINC000568360470 939367046 /nfs/dbraw/zinc/36/70/46/939367046.db2.gz KRNCWCXOMGZWSQ-INIZCTEOSA-N -1 0 346.814 3.582 20 0 EHADRM Cc1cc(C)cc([C@H](NC(=O)NCc2cccc(Cl)c2)C(=O)[O-])c1 ZINC000569537384 939375905 /nfs/dbraw/zinc/37/59/05/939375905.db2.gz QNCQRAIZSWCTAW-INIZCTEOSA-N -1 0 346.814 3.582 20 0 EHADRM CCOc1cccc([C@H](C)NC(=O)NC2(C(=O)[O-])CCCCCC2)c1 ZINC000569548851 939376304 /nfs/dbraw/zinc/37/63/04/939376304.db2.gz PUIMLVWMLIZODN-AWEZNQCLSA-N -1 0 348.443 3.623 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2ccc3nc(C4CC4)sc3c2)CCCC1 ZINC000571909941 939395351 /nfs/dbraw/zinc/39/53/51/939395351.db2.gz CINAOMUQVBABAS-UHFFFAOYSA-N -1 0 345.424 3.693 20 0 EHADRM Cc1cc(C)cc([C@@H](NC(=O)CC2CC(OC(C)(C)C)C2)C(=O)[O-])c1 ZINC000909791267 939729030 /nfs/dbraw/zinc/72/90/30/939729030.db2.gz FRCLIHIIAOUZJB-JFUPDXTOSA-N -1 0 347.455 3.529 20 0 EHADRM Cc1cc([C@H](NC(=O)CC(C)(C)CC(F)(F)F)C(=O)[O-])ccc1F ZINC000909792823 939730694 /nfs/dbraw/zinc/73/06/94/939730694.db2.gz AFIYAGHMJGBPNI-ZDUSSCGKSA-N -1 0 349.324 3.745 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)N[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)cc1 ZINC000575737014 939733844 /nfs/dbraw/zinc/73/38/44/939733844.db2.gz ZLBRDRUZIVURBR-CRAIPNDOSA-N -1 0 340.423 3.798 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)C2CCC(C(F)(F)F)CC2)(C(=O)[O-])CC1 ZINC000909950062 939747136 /nfs/dbraw/zinc/74/71/36/939747136.db2.gz YRCPWAVTKRIGCG-HHXWCYQFSA-N -1 0 335.366 3.505 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1ccc(OCC2CC2)cc1)C1CCCCC1 ZINC000581090649 939775688 /nfs/dbraw/zinc/77/56/88/939775688.db2.gz RXFFTLHOVAQCTP-QGZVFWFLSA-N -1 0 346.427 3.630 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)C(=O)N[C@H](C(=O)[O-])c2ccsc2)c1 ZINC000582015057 939781496 /nfs/dbraw/zinc/78/14/96/939781496.db2.gz ZAIJQMIEQZJLRW-LRDDRELGSA-N -1 0 347.436 3.581 20 0 EHADRM C[C@H]1CCC[C@H](OCc2cccc(NC(=O)NC3(C(=O)[O-])CC3)c2)C1 ZINC000584072337 939795259 /nfs/dbraw/zinc/79/52/59/939795259.db2.gz PUIVWESEAOIXIP-BBRMVZONSA-N -1 0 346.427 3.521 20 0 EHADRM CO[C@@H]1CCC[C@@H]([C@H](NC(=O)CCC2CCCCCC2)C(=O)[O-])C1 ZINC000656246629 939843119 /nfs/dbraw/zinc/84/31/19/939843119.db2.gz SMXMXTXAEUODGT-NUJGCVRESA-N -1 0 339.476 3.512 20 0 EHADRM COc1ccccc1Oc1ccc(NC(=O)[C@@H](C(=O)[O-])C2CC2)cc1 ZINC000656849888 939847249 /nfs/dbraw/zinc/84/72/49/939847249.db2.gz QZRRFHZUKDEIDV-KRWDZBQOSA-N -1 0 341.363 3.537 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)[C@@H](C(=O)[O-])C3CC3)cn2)cc1C ZINC000663031080 939850612 /nfs/dbraw/zinc/85/06/12/939850612.db2.gz ACUHHWCXARIMLW-KRWDZBQOSA-N -1 0 340.379 3.540 20 0 EHADRM Cc1csc(Sc2ccc(NC(=O)[C@@H](C(=O)[O-])C3CC3)cc2)n1 ZINC000663073984 939852598 /nfs/dbraw/zinc/85/25/98/939852598.db2.gz GOGTUTVKJIOZSE-ZDUSSCGKSA-N -1 0 348.449 3.652 20 0 EHADRM Cc1ccnc(Oc2cc(NC(=O)[C@@H](C(=O)[O-])C3CC3)ccc2C)c1 ZINC000663103198 939854981 /nfs/dbraw/zinc/85/49/81/939854981.db2.gz XGUKFQKJJJZHKV-KRWDZBQOSA-N -1 0 340.379 3.540 20 0 EHADRM CN(C(=O)N[C@H](C(=O)[O-])c1cccc(Cl)c1Cl)C1CCCC1 ZINC000663293974 939860421 /nfs/dbraw/zinc/86/04/21/939860421.db2.gz NRXASDDVWOVVPP-ZDUSSCGKSA-N -1 0 345.226 3.703 20 0 EHADRM Cc1ccc(-c2ncc(C(=O)NC3(C(=O)[O-])CCCC3)s2)c(C)c1 ZINC000675952907 939863630 /nfs/dbraw/zinc/86/36/30/939863630.db2.gz FOJQOAJYCLPGME-UHFFFAOYSA-N -1 0 344.436 3.554 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000675982579 939866080 /nfs/dbraw/zinc/86/60/80/939866080.db2.gz UYYOWPXMFYFQMO-VBKZILBWSA-N -1 0 343.398 3.511 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N[C@@]1(C(=O)[O-])CCc2ccccc21 ZINC000675988491 939866853 /nfs/dbraw/zinc/86/68/53/939866853.db2.gz KPIWXXWFEOUMFI-VFNWGFHPSA-N -1 0 337.419 3.531 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000678987949 939869295 /nfs/dbraw/zinc/86/92/95/939869295.db2.gz VHOGCUZTSHUFGV-BFUOFWGJSA-N -1 0 343.398 3.824 20 0 EHADRM Cc1cc(Cl)c(C(=O)N[C@@]2(C(=O)[O-])CCc3ccccc32)cc1C ZINC000683310526 939870724 /nfs/dbraw/zinc/87/07/24/939870724.db2.gz UZFGSUCFWOVQMH-IBGZPJMESA-N -1 0 343.810 3.613 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC000683319673 939870976 /nfs/dbraw/zinc/87/09/76/939870976.db2.gz RMJCSVOGDHOHEI-BZNIZROVSA-N -1 0 349.789 3.600 20 0 EHADRM Cc1ccc(NC(=O)N[C@@]2(C(=O)[O-])CCc3ccccc32)cc1Cl ZINC000683921393 939871210 /nfs/dbraw/zinc/87/12/10/939871210.db2.gz PYPHBZXCJRTUJU-SFHVURJKSA-N -1 0 344.798 3.696 20 0 EHADRM Cc1cc(C)cc([C@H](C)NC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000684730211 939873982 /nfs/dbraw/zinc/87/39/82/939873982.db2.gz ANTAQQPZADGSDM-SUMWQHHRSA-N -1 0 344.386 3.629 20 0 EHADRM CCC(CC)(CNC(=O)N(C)[C@@H](C)c1cccc(Cl)c1)C(=O)[O-] ZINC000321805440 970810572 /nfs/dbraw/zinc/81/05/72/970810572.db2.gz ZMSUDTZTHAPFOR-LBPRGKRZSA-N -1 0 340.851 3.933 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000321991571 970833721 /nfs/dbraw/zinc/83/37/21/970833721.db2.gz KWRMUBMZWBDKMZ-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM C[C@H]1CCC[C@H](CNC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C1 ZINC000322261108 970866261 /nfs/dbraw/zinc/86/62/61/970866261.db2.gz PHLFXWCEZVQAPL-UWVGGRQHSA-N -1 0 326.343 3.611 20 0 EHADRM O=C([O-])CC1(CNC(=O)[C@@H]2CCCc3sccc32)CCCCC1 ZINC000322597892 970908149 /nfs/dbraw/zinc/90/81/49/970908149.db2.gz LIZPFBUGTMCKOS-CQSZACIVSA-N -1 0 335.469 3.709 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)C[C@@H]1OCc2cc(Cl)ccc21 ZINC001601260018 970967645 /nfs/dbraw/zinc/96/76/45/970967645.db2.gz OSIHSTMIFSWRIK-LBPRGKRZSA-N -1 0 337.784 3.700 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)NCCC(C)(C)C(=O)[O-] ZINC000323720825 971032217 /nfs/dbraw/zinc/03/22/17/971032217.db2.gz KVCBEIDGAKGHBC-UHFFFAOYSA-N -1 0 332.322 3.636 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000323849881 971046822 /nfs/dbraw/zinc/04/68/22/971046822.db2.gz BXUCHMSNAQSUEJ-UHFFFAOYSA-N -1 0 331.274 3.970 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)[C@H]1CCCc2sccc21 ZINC000323952245 971064693 /nfs/dbraw/zinc/06/46/93/971064693.db2.gz XHLWHQADKIAZID-LSDHHAIUSA-N -1 0 335.469 3.708 20 0 EHADRM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000324262472 971102484 /nfs/dbraw/zinc/10/24/84/971102484.db2.gz JOGYYUVHDIMAFG-NSHDSACASA-N -1 0 335.366 3.601 20 0 EHADRM C[C@@H](c1ccccc1F)N(C)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000324730351 971153127 /nfs/dbraw/zinc/15/31/27/971153127.db2.gz JDRBWQNGVQAZTM-LBPRGKRZSA-N -1 0 330.359 3.678 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000325364550 971209256 /nfs/dbraw/zinc/20/92/56/971209256.db2.gz AJYSFCPHOGKLHL-UHFFFAOYSA-N -1 0 348.742 3.518 20 0 EHADRM O=C([O-])CC1(NC(=O)Cc2ccc(C(F)(F)F)cc2)CCCCC1 ZINC000325546885 971224799 /nfs/dbraw/zinc/22/47/99/971224799.db2.gz LBPUGIXYPLODFI-UHFFFAOYSA-N -1 0 343.345 3.542 20 0 EHADRM Cc1ccc(Cl)c(NC(=O)N2CCc3c(cccc3C(=O)[O-])C2)c1 ZINC000325688083 971236118 /nfs/dbraw/zinc/23/61/18/971236118.db2.gz GRGHAZYSIAPTOW-UHFFFAOYSA-N -1 0 344.798 3.937 20 0 EHADRM Cc1ccc(C)c(SCC(=O)N2CCc3ccc(C(=O)[O-])cc32)c1 ZINC000326169238 971271461 /nfs/dbraw/zinc/27/14/61/971271461.db2.gz NLAJGBWAUWJRQF-UHFFFAOYSA-N -1 0 341.432 3.683 20 0 EHADRM Cc1oc(-c2cccs2)nc1CN1CCc2cc(C(=O)[O-])ccc21 ZINC000326413333 971291221 /nfs/dbraw/zinc/29/12/21/971291221.db2.gz LDBNUKFYNGBPHI-UHFFFAOYSA-N -1 0 340.404 3.972 20 0 EHADRM CC(C)Oc1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC000326605689 971308147 /nfs/dbraw/zinc/30/81/47/971308147.db2.gz NBTLGJFVTPHZTK-UHFFFAOYSA-N -1 0 335.306 3.703 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)[C@@H]2CCCc3ccccc32)c1F ZINC000326722725 971321224 /nfs/dbraw/zinc/32/12/24/971321224.db2.gz CUCMXHPXJLBKAD-GFCCVEGCSA-N -1 0 331.318 3.722 20 0 EHADRM CCc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C(=O)[O-])c1 ZINC000326745371 971323474 /nfs/dbraw/zinc/32/34/74/971323474.db2.gz JRZWOAMANUWCMA-UHFFFAOYSA-N -1 0 348.742 3.761 20 0 EHADRM C[C@H](CCc1ccccc1)NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000326873770 971339234 /nfs/dbraw/zinc/33/92/34/971339234.db2.gz YIFYPHHFDYDNNZ-LLVKDONJSA-N -1 0 348.349 3.806 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H]1NC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000327118753 971368591 /nfs/dbraw/zinc/36/85/91/971368591.db2.gz RBOLRUXZXAKVOE-IAGOWNOFSA-N -1 0 340.379 3.854 20 0 EHADRM CCC1CCC(CNC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)CC1 ZINC000327244243 971379386 /nfs/dbraw/zinc/37/93/86/971379386.db2.gz RCNGYYFVIJDHHS-UHFFFAOYSA-N -1 0 344.455 3.669 20 0 EHADRM CCC1CCC(NC(=O)Cc2cccc3ccccc32)(C(=O)[O-])CC1 ZINC000327276496 971383101 /nfs/dbraw/zinc/38/31/01/971383101.db2.gz HVTXTZDXTRANJZ-UHFFFAOYSA-N -1 0 339.435 3.922 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cc1 ZINC000327285783 971384057 /nfs/dbraw/zinc/38/40/57/971384057.db2.gz IIBHSFDRCYRDMH-UHFFFAOYSA-N -1 0 336.391 3.756 20 0 EHADRM O=C([O-])[C@@H]1CCN(Cc2cc(F)cc3cccnc32)c2ccccc21 ZINC000327396995 971395655 /nfs/dbraw/zinc/39/56/55/971395655.db2.gz SYAPCPLIBNMPCJ-QGZVFWFLSA-N -1 0 336.366 3.952 20 0 EHADRM CCOc1ccc(OCCN2CC[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000327488976 971403310 /nfs/dbraw/zinc/40/33/10/971403310.db2.gz KYQSXGHVDBTWGS-GOSISDBHSA-N -1 0 341.407 3.543 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000327533072 971406662 /nfs/dbraw/zinc/40/66/62/971406662.db2.gz JYTICODXHFNOPS-DYVFJYSZSA-N -1 0 340.379 3.806 20 0 EHADRM CC(C)COc1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC000327643338 971414252 /nfs/dbraw/zinc/41/42/52/971414252.db2.gz CFJAXSNBZKVGGK-UHFFFAOYSA-N -1 0 349.333 3.950 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)c2cc(-c3ccccc3)on2)c1F ZINC000327788316 971425627 /nfs/dbraw/zinc/42/56/27/971425627.db2.gz ASNIERGKQGEHQK-UHFFFAOYSA-N -1 0 344.273 3.570 20 0 EHADRM COc1cc(NC(=O)N[C@@H]2CCCc3ccccc32)ccc1C(=O)[O-] ZINC000327931152 971434471 /nfs/dbraw/zinc/43/44/71/971434471.db2.gz OICZWFRBBBRAAI-MRXNPFEDSA-N -1 0 340.379 3.593 20 0 EHADRM CCc1ccc(NC(=O)CCOc2ccc(C)cc2C)c(C(=O)[O-])c1 ZINC000328068514 971444926 /nfs/dbraw/zinc/44/49/26/971444926.db2.gz VNWDCFNPVYOYAG-UHFFFAOYSA-N -1 0 341.407 3.972 20 0 EHADRM CCCCc1ccc(C(=O)N2CCc3c(cccc3C(=O)[O-])C2)cc1 ZINC000328358392 971466552 /nfs/dbraw/zinc/46/65/52/971466552.db2.gz ZZCYWCBDJJDWDT-UHFFFAOYSA-N -1 0 337.419 3.926 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 ZINC000013166416 948777288 /nfs/dbraw/zinc/77/72/88/948777288.db2.gz SWCGXAGAXRQLOJ-UHFFFAOYSA-N -1 0 341.382 3.652 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)C2(c3cccc(F)c3)CCCC2)cc1 ZINC000013166406 948777439 /nfs/dbraw/zinc/77/74/39/948777439.db2.gz OAAJQDLUMUCQSZ-UHFFFAOYSA-N -1 0 341.382 3.652 20 0 EHADRM CC[C@@H](CNc1nnc(-c2ccccc2)cc1C(F)(F)F)C(=O)[O-] ZINC001589555336 948787882 /nfs/dbraw/zinc/78/78/82/948787882.db2.gz QWJLZJYUDRFVDJ-JTQLQIEISA-N -1 0 339.317 3.685 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)c1cc(F)cc(Br)c1 ZINC000037025765 948823815 /nfs/dbraw/zinc/82/38/15/948823815.db2.gz AVWYEGVIPMOFHK-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM Cc1cc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)ccc1Cl ZINC000336872775 971515431 /nfs/dbraw/zinc/51/54/31/971515431.db2.gz PMWZVUHKKNTVRV-MRXNPFEDSA-N -1 0 331.799 3.984 20 0 EHADRM CCC(CC)(NC(=O)c1cc(C2CC2)nc2ccc(C)cc21)C(=O)[O-] ZINC000342521373 971517784 /nfs/dbraw/zinc/51/77/84/971517784.db2.gz HVMGNACUNYLWSS-UHFFFAOYSA-N -1 0 340.423 3.794 20 0 EHADRM CC(C)c1ncncc1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000345909665 971520042 /nfs/dbraw/zinc/52/00/42/971520042.db2.gz SOWATXLUFGNTLZ-UHFFFAOYSA-N -1 0 341.392 3.765 20 0 EHADRM O=C([O-])CN(Cc1ccccc1)C(=O)Cc1csc2ccccc12 ZINC000346027431 971521197 /nfs/dbraw/zinc/52/11/97/971521197.db2.gz NVZMGUXOBYCDJF-UHFFFAOYSA-N -1 0 339.416 3.557 20 0 EHADRM CCCC[C@@H](NC(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000347256056 971521827 /nfs/dbraw/zinc/52/18/27/971521827.db2.gz DXQZXQNGYDWCTR-SMDDNHRTSA-N -1 0 345.361 3.644 20 0 EHADRM CCCC[C@H](NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000347264221 971522854 /nfs/dbraw/zinc/52/28/54/971522854.db2.gz RKOHNYGELVPJSZ-FZMZJTMJSA-N -1 0 345.361 3.959 20 0 EHADRM CC(C)[C@@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)s1)C(=O)[O-] ZINC000349562045 971526980 /nfs/dbraw/zinc/52/69/80/971526980.db2.gz KSTHYLSNULLFPS-CQSZACIVSA-N -1 0 337.828 3.908 20 0 EHADRM COc1cccc(NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])c1 ZINC000362394816 971535298 /nfs/dbraw/zinc/53/52/98/971535298.db2.gz BPQJNTQJPMMCKJ-LLVKDONJSA-N -1 0 331.393 3.513 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001589586960 949062092 /nfs/dbraw/zinc/06/20/92/949062092.db2.gz JJWGHYDZGZZHEO-QGZVFWFLSA-N -1 0 328.364 3.594 20 0 EHADRM Cc1ccc(-c2cc(C(=O)Nc3ccc(CC(=O)[O-])cc3)on2)cc1 ZINC000347726074 971525969 /nfs/dbraw/zinc/52/59/69/971525969.db2.gz DSWPDZBUZRJDRQ-UHFFFAOYSA-N -1 0 336.347 3.529 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(Cl)c3ncccc23)C1 ZINC001589603472 949210464 /nfs/dbraw/zinc/21/04/64/949210464.db2.gz OGAHIMQCTJHJGE-GOSISDBHSA-N -1 0 346.814 3.605 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2cc3ccccc3nc2Cl)cc1 ZINC001595227830 949333862 /nfs/dbraw/zinc/33/38/62/949333862.db2.gz FSQDETBLYHNTEZ-UHFFFAOYSA-N -1 0 340.766 3.516 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2ccc(-c3cccs3)o2)cc1 ZINC001595227955 949335728 /nfs/dbraw/zinc/33/57/28/949335728.db2.gz WWMSTGOTCJHASG-UHFFFAOYSA-N -1 0 327.361 3.636 20 0 EHADRM CCCCn1ncc(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)c1C(C)C ZINC001589658529 949823252 /nfs/dbraw/zinc/82/32/52/949823252.db2.gz BJPWJXBYVBTORK-SFHVURJKSA-N -1 0 333.432 3.556 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC001595274109 949888193 /nfs/dbraw/zinc/88/81/93/949888193.db2.gz TVBKFOWQGQFKML-ZYHUDNBSSA-N -1 0 348.761 3.705 20 0 EHADRM Cc1ccc2nc(C3CC3)cc(C(=O)N[C@H](CC(C)C)C(=O)[O-])c2c1 ZINC000236599783 949926426 /nfs/dbraw/zinc/92/64/26/949926426.db2.gz NOPNBXRTHUFADF-GOSISDBHSA-N -1 0 340.423 3.650 20 0 EHADRM CCC(CC)(CNC(=O)CSCc1ccc(Cl)cc1)C(=O)[O-] ZINC000236842548 949939333 /nfs/dbraw/zinc/93/93/33/949939333.db2.gz BQSUSXHOCARTGS-UHFFFAOYSA-N -1 0 343.876 3.580 20 0 EHADRM CCCN(CC(=O)[O-])c1nc(-c2cccs2)nc2ccccc21 ZINC001589672115 949941596 /nfs/dbraw/zinc/94/15/96/949941596.db2.gz UCRBTNLWOBJPGA-UHFFFAOYSA-N -1 0 327.409 3.659 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000238040744 949991403 /nfs/dbraw/zinc/99/14/03/949991403.db2.gz BJHRWMYRKNLLCR-KRWDZBQOSA-N -1 0 325.364 3.558 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)nc1 ZINC000238048991 949991962 /nfs/dbraw/zinc/99/19/62/949991962.db2.gz WJXRWUSPJAMRSZ-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM CCCc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCOC3)cc1 ZINC001589691274 950112343 /nfs/dbraw/zinc/11/23/43/950112343.db2.gz IBXYLUVATNZSPJ-UHFFFAOYSA-N -1 0 345.420 3.724 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC000262939191 950193755 /nfs/dbraw/zinc/19/37/55/950193755.db2.gz CCRVCESNKCQGCI-AWEZNQCLSA-N -1 0 344.411 3.659 20 0 EHADRM CC[C@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccc(C)cc1 ZINC000262957383 950197590 /nfs/dbraw/zinc/19/75/90/950197590.db2.gz ISEXDXUGPWYKNP-KRWDZBQOSA-N -1 0 326.396 3.644 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)[C@H](C)OCc2ccccc2)s1 ZINC000379466825 971638965 /nfs/dbraw/zinc/63/89/65/971638965.db2.gz YDJFVWPXUMLNBX-NSHDSACASA-N -1 0 333.409 3.553 20 0 EHADRM C[C@@H]1CN(C(=O)C(C)(C)CCCc2ccccc2)CC[C@H]1C(=O)[O-] ZINC000263085669 950254170 /nfs/dbraw/zinc/25/41/70/950254170.db2.gz VCVOCFQJMLXNAC-NVXWUHKLSA-N -1 0 331.456 3.605 20 0 EHADRM CCN(C(=O)Cc1ccccc1C(=O)[O-])c1nc2ccccc2s1 ZINC001589704099 950264957 /nfs/dbraw/zinc/26/49/57/950264957.db2.gz ZKQLWPNZYDYXNJ-UHFFFAOYSA-N -1 0 340.404 3.590 20 0 EHADRM CCN(C(=O)Nc1ccc(N2CCCCCC2)cc1C)[C@@H](C)C(=O)[O-] ZINC001589706244 950289507 /nfs/dbraw/zinc/28/95/07/950289507.db2.gz FVKLJGUKCCIVHV-HNNXBMFYSA-N -1 0 347.459 3.702 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC000263168681 950307242 /nfs/dbraw/zinc/30/72/42/950307242.db2.gz PSHQFCKOKKPJGO-HIFRSBDPSA-N -1 0 335.444 3.585 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000263172497 950310258 /nfs/dbraw/zinc/31/02/58/950310258.db2.gz SEXKLCFXZVVOBD-VHSXEESVSA-N -1 0 344.383 3.576 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263302529 950357271 /nfs/dbraw/zinc/35/72/71/950357271.db2.gz GTOHFZUCHXQPHN-UBHSHLNASA-N -1 0 344.411 3.554 20 0 EHADRM O=C([O-])CCCCC(=O)NCCCc1ccc(Cl)cc1Cl ZINC000263312936 950360990 /nfs/dbraw/zinc/36/09/90/950360990.db2.gz PPNYATPEMJNFLN-UHFFFAOYSA-N -1 0 332.227 3.687 20 0 EHADRM Cc1c(C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)oc2c1c(C)ccc2C ZINC000263345137 950388270 /nfs/dbraw/zinc/38/82/70/950388270.db2.gz OIOXYXMUSOBMOO-HZMBPMFUSA-N -1 0 329.396 3.541 20 0 EHADRM C[C@H](CN(C)C(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1)C(=O)[O-] ZINC000263483297 950486681 /nfs/dbraw/zinc/48/66/81/950486681.db2.gz LNUYVVUMICYGPZ-LLVKDONJSA-N -1 0 347.415 3.601 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000263515768 950499970 /nfs/dbraw/zinc/49/99/70/950499970.db2.gz DQNDYALCXGOKPT-YOEHRIQHSA-N -1 0 341.382 3.519 20 0 EHADRM CC(C)c1csc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])n1 ZINC000315906613 950858448 /nfs/dbraw/zinc/85/84/48/950858448.db2.gz MRGQZMPFZFUZJV-NSHDSACASA-N -1 0 325.434 3.518 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)Nc2ncccc2-c2ccccc2)co1 ZINC001594971587 950862316 /nfs/dbraw/zinc/86/23/16/950862316.db2.gz PQLOVZXSHJGENJ-CMDGGOBGSA-N -1 0 334.331 3.692 20 0 EHADRM O=C([O-])CC1(C(=O)Nc2ccc3c(c2)C=CC2(CCC2)O3)CCC1 ZINC001594976979 950933134 /nfs/dbraw/zinc/93/31/34/950933134.db2.gz FLCRWYPQBNLYMU-UHFFFAOYSA-N -1 0 327.380 3.598 20 0 EHADRM COc1ccc(Cl)cc1CN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000320719385 951000213 /nfs/dbraw/zinc/00/02/13/951000213.db2.gz AKUIKYJBVKNYFI-INIZCTEOSA-N -1 0 331.799 3.533 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)N[C@@H]1CCCc2sccc21 ZINC000320831281 951003127 /nfs/dbraw/zinc/00/31/27/951003127.db2.gz ZPNSEUKRUVBWTB-GXTWGEPZSA-N -1 0 336.457 3.554 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)[C@H](c1ccncc1)C1CCCCC1 ZINC001594984531 951010481 /nfs/dbraw/zinc/01/04/81/951010481.db2.gz HMEOJZUJQCYDPZ-HKUYNNGSSA-N -1 0 344.455 3.601 20 0 EHADRM COc1ccc(Cl)cc1C[N@@H+]1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000321316992 951014281 /nfs/dbraw/zinc/01/42/81/951014281.db2.gz NJHWHRILWLYPKF-QGZVFWFLSA-N -1 0 331.799 3.533 20 0 EHADRM O=C([O-])CC1(c2nc(-c3cccc(C(F)(F)F)c3)no2)CCC1 ZINC001594984826 951016152 /nfs/dbraw/zinc/01/61/52/951016152.db2.gz RVRUXJXSDBZLSE-UHFFFAOYSA-N -1 0 326.274 3.652 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1csc2c1CC[C@@H](C)C2)CC(=O)[O-] ZINC000321687604 951019047 /nfs/dbraw/zinc/01/90/47/951019047.db2.gz REGAGDRDIZNOTR-OLZOCXBDSA-N -1 0 337.485 3.740 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)C1 ZINC000325030686 951078626 /nfs/dbraw/zinc/07/86/26/951078626.db2.gz LXXFSOPUYWGYDK-OAHLLOKOSA-N -1 0 347.308 3.562 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000325412033 951084368 /nfs/dbraw/zinc/08/43/68/951084368.db2.gz UEKMSAXBJXRFHV-UHFFFAOYSA-N -1 0 348.742 3.518 20 0 EHADRM CN(Cc1ccc(F)cc1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000325499810 951086094 /nfs/dbraw/zinc/08/60/94/951086094.db2.gz LZTIFNWJQXHNPV-UHFFFAOYSA-N -1 0 330.359 3.507 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)Nc2ccc(F)cc2Cl)Cc2ccccc21 ZINC000325806187 951092747 /nfs/dbraw/zinc/09/27/47/951092747.db2.gz YFQMJCDWYFYAIY-ZDUSSCGKSA-N -1 0 348.761 3.695 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000325851347 951094016 /nfs/dbraw/zinc/09/40/16/951094016.db2.gz YMWYVHKJWMFLDS-UHFFFAOYSA-N -1 0 341.260 3.724 20 0 EHADRM C[C@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)[C@H]1CC2CCC1CC2 ZINC000381870556 951214335 /nfs/dbraw/zinc/21/43/35/951214335.db2.gz JLBLUOPJCJVQQA-HEAFNYJSSA-N -1 0 330.428 3.650 20 0 EHADRM O=C([O-])[C@@H]1CCN(CCCOCc2ccccc2)c2ccccc21 ZINC000383954376 951263654 /nfs/dbraw/zinc/26/36/54/951263654.db2.gz IUFXTVSUKGNFPI-GOSISDBHSA-N -1 0 325.408 3.672 20 0 EHADRM CCOc1ccc(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1Cl ZINC001592691245 951349632 /nfs/dbraw/zinc/34/96/32/951349632.db2.gz DAPYKKCKKMTMLY-YVMONPNESA-N -1 0 335.743 3.682 20 0 EHADRM CCOc1ccccc1NC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001593063748 951403315 /nfs/dbraw/zinc/40/33/15/951403315.db2.gz TYWIGWBCNVQEPT-GOEBONIOSA-N -1 0 340.379 3.520 20 0 EHADRM O=C([O-])CCCCCNC(=O)N[C@@H](c1cccc(Cl)c1)C(F)F ZINC001595036895 951408264 /nfs/dbraw/zinc/40/82/64/951408264.db2.gz NOBVNMWCTBKMBP-ZDUSSCGKSA-N -1 0 348.777 3.590 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1CCC(C(F)(F)F)CC1 ZINC000392081156 951411126 /nfs/dbraw/zinc/41/11/26/951411126.db2.gz ZNIXENSBCUEZJY-NMHYENAYSA-N -1 0 347.377 3.599 20 0 EHADRM CSc1ccccc1NC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000392436600 951420756 /nfs/dbraw/zinc/42/07/56/951420756.db2.gz OMLRTWXNVKOAKQ-CQSZACIVSA-N -1 0 342.420 3.624 20 0 EHADRM Cc1oc(Br)cc1C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000396446050 951476840 /nfs/dbraw/zinc/47/68/40/951476840.db2.gz AANZWAHXCYAFHE-UHFFFAOYSA-N -1 0 338.157 3.609 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@@H]2C[C@@]2(F)c2ccccc2)c1 ZINC001595063356 951524405 /nfs/dbraw/zinc/52/44/05/951524405.db2.gz RPSGGDJXNGINDB-QFBILLFUSA-N -1 0 327.355 3.527 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC001595179200 952244596 /nfs/dbraw/zinc/24/45/96/952244596.db2.gz DBJZJXJZCCALRT-RULNRJAQSA-N -1 0 342.222 3.672 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)C2(c3ccccc3)CCCCCC2)C1 ZINC001595195479 952298038 /nfs/dbraw/zinc/29/80/38/952298038.db2.gz FTVMLPGAZLOOMH-INIZCTEOSA-N -1 0 329.440 3.602 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)[C@@H](F)Cc2ccccc2)c1Cl ZINC001595206676 952331964 /nfs/dbraw/zinc/33/19/64/952331964.db2.gz NADHKBDLPZKILL-NSHDSACASA-N -1 0 339.725 3.697 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)C2(Oc3ccccc3)CC2)c1Cl ZINC001595206850 952333208 /nfs/dbraw/zinc/33/32/08/952333208.db2.gz OPMSRVWSXRGGBQ-UHFFFAOYSA-N -1 0 349.745 3.727 20 0 EHADRM CC(C)(C)c1ccc(C2(CNC(=O)[C@H](C(=O)[O-])C3CC3)CCC2)cc1 ZINC001602922896 971882599 /nfs/dbraw/zinc/88/25/99/971882599.db2.gz IQMUPCZBLYXVLZ-QGZVFWFLSA-N -1 0 343.467 3.633 20 0 EHADRM CC(C)(Cc1ccc(Cl)cc1)C(=O)NCCCCCC(=O)[O-] ZINC001602948824 971923659 /nfs/dbraw/zinc/92/36/59/971923659.db2.gz PSMKHQKMOABSKN-UHFFFAOYSA-N -1 0 325.836 3.670 20 0 EHADRM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)NCCCCCC(=O)[O-])o1 ZINC000414610708 953397914 /nfs/dbraw/zinc/39/79/14/953397914.db2.gz NNQWXLWPDJGUBE-DZGCQCFKSA-N -1 0 336.432 3.716 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)CCCCc2ccc(Cl)cc2)C1 ZINC001589269217 953398518 /nfs/dbraw/zinc/39/85/18/953398518.db2.gz RUMNQNDSWNEFMD-UKRRQHHQSA-N -1 0 337.847 3.622 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)/C=C/c2ccc(F)c3ccccc23)C1 ZINC001589269583 953405305 /nfs/dbraw/zinc/40/53/05/953405305.db2.gz WYZQBXYXGMIXRX-ICGPHACGSA-N -1 0 341.382 3.561 20 0 EHADRM COCCSc1ccc([C@@H](C)Nc2cccc(C(=O)[O-])n2)cc1 ZINC000416408003 953409509 /nfs/dbraw/zinc/40/95/09/953409509.db2.gz NIJMCINEFUQSBJ-GFCCVEGCSA-N -1 0 332.425 3.691 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCCC[C@H]2CC2(Cl)Cl)c(F)c1 ZINC001594757081 953470567 /nfs/dbraw/zinc/47/05/67/953470567.db2.gz BZXYVTACDKTNCZ-VIFPVBQESA-N -1 0 349.189 3.619 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)NCCCCCCc2ccccc2)c1 ZINC001594757072 953470760 /nfs/dbraw/zinc/47/07/60/953470760.db2.gz BMIRQECVPAZHME-UHFFFAOYSA-N -1 0 341.411 3.704 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Cc1csc2ccc(Cl)cc12)C(=O)[O-] ZINC000431440848 953500965 /nfs/dbraw/zinc/50/09/65/953500965.db2.gz MTEHOJGBSAHKHW-VFZGTOFNSA-N -1 0 339.844 3.713 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN1C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000448999349 953508995 /nfs/dbraw/zinc/50/89/95/953508995.db2.gz INRWPOBABXNLTJ-OAHLLOKOSA-N -1 0 341.194 3.554 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)c1c[nH]cc1-c1ccccc1)C(=O)[O-] ZINC000449134989 953511167 /nfs/dbraw/zinc/51/11/67/953511167.db2.gz MQOAPHOWJWROHM-INIZCTEOSA-N -1 0 328.412 3.691 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1)C(=O)[O-] ZINC001593619048 953517598 /nfs/dbraw/zinc/51/75/98/953517598.db2.gz BULYTVXYKSERTP-ZDUSSCGKSA-N -1 0 349.774 3.512 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)c1cccc(OC2CCCC2)c1 ZINC001594776815 953590569 /nfs/dbraw/zinc/59/05/69/953590569.db2.gz YQUDVVKXSMLNIJ-UHFFFAOYSA-N -1 0 339.391 3.636 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000563144939 953596805 /nfs/dbraw/zinc/59/68/05/953596805.db2.gz YKOUVBBGCTVZHZ-YOEHRIQHSA-N -1 0 339.391 3.662 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC001602960346 971945566 /nfs/dbraw/zinc/94/55/66/971945566.db2.gz CDIVOKNMTVKBST-AWEZNQCLSA-N -1 0 343.345 3.553 20 0 EHADRM Cc1cc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)sc1-c1ccccc1 ZINC000568651458 953646636 /nfs/dbraw/zinc/64/66/36/953646636.db2.gz UREDGOMJXAXABG-KGLIPLIRSA-N -1 0 329.421 3.707 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000574638588 953680413 /nfs/dbraw/zinc/68/04/13/953680413.db2.gz YVVIADOQRRHVBE-GXFFZTMASA-N -1 0 341.860 3.635 20 0 EHADRM O=C([O-])c1ccccc1OCCN(Cc1c(F)cccc1F)C1CC1 ZINC000575964194 953685811 /nfs/dbraw/zinc/68/58/11/953685811.db2.gz UISIMCVXXSNOLF-UHFFFAOYSA-N -1 0 347.361 3.706 20 0 EHADRM CCc1cc(C)cc(CC)c1NC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000575988555 953685869 /nfs/dbraw/zinc/68/58/69/953685869.db2.gz PKSBEVDGFCFDPX-XJKSGUPXSA-N -1 0 332.444 3.694 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000582063114 953721140 /nfs/dbraw/zinc/72/11/40/953721140.db2.gz PMUSDDSQPGTSQV-ZANVPECISA-N -1 0 335.400 3.532 20 0 EHADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1cccc(Oc2ccc(Cl)cc2)c1 ZINC001594799162 953723002 /nfs/dbraw/zinc/72/30/02/953723002.db2.gz XYYFYBDXFHBHNM-MQMHXKEQSA-N -1 0 345.782 3.725 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000591562779 953742925 /nfs/dbraw/zinc/74/29/25/953742925.db2.gz XGHQLTMIUVEBIA-VXGBXAGGSA-N -1 0 347.436 3.621 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)N[C@@]23C[C@@H]2CCCC3)c1Cl ZINC001594804014 953767849 /nfs/dbraw/zinc/76/78/49/953767849.db2.gz PWUWDWDGMHFXGE-AYVTZFPOSA-N -1 0 326.755 3.632 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccccc1CCSC)C(=O)[O-] ZINC000600965231 953784212 /nfs/dbraw/zinc/78/42/12/953784212.db2.gz MPKIENAVBVLUKM-UHFFFAOYSA-N -1 0 338.473 3.605 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)c1 ZINC001594808907 953796969 /nfs/dbraw/zinc/79/69/69/953796969.db2.gz GFAPXNBGMZMHHD-LSDHHAIUSA-N -1 0 330.771 3.716 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1cccc(C(F)F)c1)c1ccc(F)cc1 ZINC001594809286 953801557 /nfs/dbraw/zinc/80/15/57/953801557.db2.gz SADJJRPKYAFLAH-CYBMUJFWSA-N -1 0 338.285 3.711 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1ccccc1C(F)F)c1ccc(F)cc1 ZINC001594809932 953805064 /nfs/dbraw/zinc/80/50/64/953805064.db2.gz DFEWZDSJLWMMSE-CYBMUJFWSA-N -1 0 338.285 3.711 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(SCc2ccccc2)cn1 ZINC001602969650 971961640 /nfs/dbraw/zinc/96/16/40/971961640.db2.gz BGGRRBAMIQCEQP-INIZCTEOSA-N -1 0 344.436 3.669 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)NC1(c2ccc(F)cc2)CCCC1 ZINC001594811615 953832282 /nfs/dbraw/zinc/83/22/82/953832282.db2.gz DSBQIHWFGHBGDK-UHFFFAOYSA-N -1 0 343.358 3.510 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)c1csc(C2CCCCC2)n1 ZINC001594814547 953844643 /nfs/dbraw/zinc/84/46/43/953844643.db2.gz LCXYCJNJUPBKCQ-UHFFFAOYSA-N -1 0 331.397 3.536 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1)CC(=O)[O-] ZINC000630200698 953846813 /nfs/dbraw/zinc/84/68/13/953846813.db2.gz MJCPNIQOTIROGA-IAOVAPTHSA-N -1 0 335.419 3.573 20 0 EHADRM C[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3)s2)[C@@H]1C(=O)[O-] ZINC001589329636 953943345 /nfs/dbraw/zinc/94/33/45/953943345.db2.gz NWYPOXFTJRUVTH-WBMJQRKESA-N -1 0 329.421 3.740 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)N2CCC(C)(C(=O)[O-])CC2)c1 ZINC000647763236 953979087 /nfs/dbraw/zinc/97/90/87/953979087.db2.gz SRPIHLAULXPFKE-OAHLLOKOSA-N -1 0 331.456 3.702 20 0 EHADRM CC[C@H](CNC(=O)CCCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000649263873 953991957 /nfs/dbraw/zinc/99/19/57/953991957.db2.gz LZXDSQZDXCTJJQ-MRVPVSSYSA-N -1 0 338.256 3.605 20 0 EHADRM CC(C)[C@@H](CCc1ccccc1)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001602975408 971986816 /nfs/dbraw/zinc/98/68/16/971986816.db2.gz UNDVZLVMJWWHBR-MRXNPFEDSA-N -1 0 326.396 3.623 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2ccc(CC(F)(F)F)cc2)CC=CCC1 ZINC000653282849 954093918 /nfs/dbraw/zinc/09/39/18/954093918.db2.gz LTUOSVJBNONNRG-OAHLLOKOSA-N -1 0 327.302 3.541 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)NC(=O)Nc1cncc(C(=O)[O-])c1 ZINC001602975451 971986868 /nfs/dbraw/zinc/98/68/68/971986868.db2.gz WZSZEVQGNLMSII-LJQANCHMSA-N -1 0 341.411 3.559 20 0 EHADRM CCCCOc1ccc(NC(=O)NC[C@@H](C(=O)[O-])C(C)C)c(C)c1 ZINC000653537277 954185831 /nfs/dbraw/zinc/18/58/31/954185831.db2.gz SGBHLLKXERCNMW-OAHLLOKOSA-N -1 0 336.432 3.652 20 0 EHADRM C[C@@H](NC(=O)Nc1cc(F)ccc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653537927 954185864 /nfs/dbraw/zinc/18/58/64/954185864.db2.gz LSPGJVGKCMUVSB-DVVUODLYSA-N -1 0 342.798 3.736 20 0 EHADRM Cc1cc2cc[nH]c2cc1NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653543389 954191320 /nfs/dbraw/zinc/19/13/20/954191320.db2.gz LXFVRUBXHKILRN-KWCYVHTRSA-N -1 0 343.427 3.733 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)CCc2c(Cl)cccc2Cl)CC1 ZINC000655547029 954198529 /nfs/dbraw/zinc/19/85/29/954198529.db2.gz GIJXQDDVUQZRPP-UHFFFAOYSA-N -1 0 344.238 3.639 20 0 EHADRM C[C@@H](NC(=O)[C@@H](C)CCc1ccccc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655579356 954217351 /nfs/dbraw/zinc/21/73/51/954217351.db2.gz NSZKTDJJFZGCCF-LQKXBSAESA-N -1 0 349.446 3.646 20 0 EHADRM C[C@@H](C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1cccc(Cl)c1 ZINC000655579253 954217730 /nfs/dbraw/zinc/21/77/30/954217730.db2.gz LUNKFFGVYPXHBO-FDRIWYBQSA-N -1 0 337.847 3.695 20 0 EHADRM Cc1ccc(CCCC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)s1 ZINC000655579377 954219078 /nfs/dbraw/zinc/21/90/78/954219078.db2.gz OGXWKWMEVWVCPN-AEGPPILISA-N -1 0 337.485 3.631 20 0 EHADRM C[C@H](CC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccc(F)cc1 ZINC000655581014 954222114 /nfs/dbraw/zinc/22/21/14/954222114.db2.gz HZYFFTLCFYJGGA-AVRGHOLYSA-N -1 0 335.419 3.571 20 0 EHADRM C[C@H](NC(=O)CCc1cccc(Cl)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655582884 954224782 /nfs/dbraw/zinc/22/47/82/954224782.db2.gz RRAMLDWZFIDPBP-TUKIKUTGSA-N -1 0 337.847 3.524 20 0 EHADRM C[C@H](NC(=O)c1ccccc1C(F)(F)F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655586287 954228601 /nfs/dbraw/zinc/22/86/01/954228601.db2.gz PWMUYKXLTXTRFT-TVYUQYBPSA-N -1 0 343.345 3.571 20 0 EHADRM C[C@@H]1CN(C(=O)C2=C(c3ccccc3)CCCC2)CC[C@@H]1C(=O)[O-] ZINC001589374708 954240753 /nfs/dbraw/zinc/24/07/53/954240753.db2.gz LNLKWTOBCDQZHD-ZBFHGGJFSA-N -1 0 327.424 3.583 20 0 EHADRM O=C([O-])C1(C(=O)NCCCCCCc2ccccc2)CCSCC1 ZINC001594858932 954260459 /nfs/dbraw/zinc/26/04/59/954260459.db2.gz SEDMQMITMVGROU-UHFFFAOYSA-N -1 0 349.496 3.504 20 0 EHADRM CC(C)[C@@H](CNC(=O)N[C@@H](C)c1ccc(F)c2ccccc21)C(=O)[O-] ZINC000655880497 954265891 /nfs/dbraw/zinc/26/58/91/954265891.db2.gz ZYERADFXESQYCQ-BLLLJJGKSA-N -1 0 346.402 3.696 20 0 EHADRM C[C@@H]1CN(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)[C@@H]2CCCC[C@@H]21 ZINC001589377711 954278502 /nfs/dbraw/zinc/27/85/02/954278502.db2.gz RRSYCKLAOTUFTD-MYWGYQQTSA-N -1 0 342.439 3.520 20 0 EHADRM C[C@H](NC(=O)N([C@@H](C)c1ccco1)C1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655903406 954284724 /nfs/dbraw/zinc/28/47/24/954284724.db2.gz AURRXDWLLHZAKO-NZBPQXDJSA-N -1 0 348.443 3.650 20 0 EHADRM O=C([O-])C1(C(=O)NCCc2c(F)cccc2Cl)CCCCCC1 ZINC001594862526 954285378 /nfs/dbraw/zinc/28/53/78/954285378.db2.gz YKEBNYSMNJPVML-UHFFFAOYSA-N -1 0 341.810 3.563 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000659144032 954310840 /nfs/dbraw/zinc/31/08/40/954310840.db2.gz AGKIJPWSOUKOQH-OKZBNKHCSA-N -1 0 329.440 3.501 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)CCC1 ZINC001594870557 954350014 /nfs/dbraw/zinc/35/00/14/954350014.db2.gz NXADIORTINWKHK-UHFFFAOYSA-N -1 0 346.770 3.721 20 0 EHADRM O=C([O-])C1(C(=O)Nc2nc(/C=C\c3ccccc3)cs2)CCC1 ZINC001594872749 954367087 /nfs/dbraw/zinc/36/70/87/954367087.db2.gz WZMBJBAMAUVEJH-FPLPWBNLSA-N -1 0 328.393 3.507 20 0 EHADRM CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC000663037103 954410959 /nfs/dbraw/zinc/41/09/59/954410959.db2.gz UKMUDFIGRSAZSN-IUODEOHRSA-N -1 0 345.443 3.541 20 0 EHADRM CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC000663037101 954411019 /nfs/dbraw/zinc/41/10/19/954411019.db2.gz UKMUDFIGRSAZSN-DOMZBBRYSA-N -1 0 345.443 3.541 20 0 EHADRM C[C@@H]1CCCN(C(=O)c2ccc(OCC(=O)[O-])cc2)c2ccccc21 ZINC000663043283 954416197 /nfs/dbraw/zinc/41/61/97/954416197.db2.gz DDVGCNMLUNVTLV-CQSZACIVSA-N -1 0 339.391 3.694 20 0 EHADRM Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC000663054375 954425429 /nfs/dbraw/zinc/42/54/29/954425429.db2.gz MONIHESGFXWKSV-CYBMUJFWSA-N -1 0 349.818 3.520 20 0 EHADRM CC[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000663063325 954434111 /nfs/dbraw/zinc/43/41/11/954434111.db2.gz FMEQAUPIKWUCJT-HNNXBMFYSA-N -1 0 341.407 3.591 20 0 EHADRM O=C([O-])C1(NCc2oc3ccccc3c2Br)CCCC1 ZINC001594883539 954448671 /nfs/dbraw/zinc/44/86/71/954448671.db2.gz VYQWBYURGQGTRA-UHFFFAOYSA-N -1 0 338.201 3.682 20 0 EHADRM O=C([O-])C1(c2noc(-c3csc(-c4ccccc4F)n3)n2)CCC1 ZINC001594887648 954478454 /nfs/dbraw/zinc/47/84/54/954478454.db2.gz SPSKVQOJNHPQCH-UHFFFAOYSA-N -1 0 345.355 3.506 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)C2CCC(C3CC3)CC2)c2ccccc21 ZINC000663121263 954516129 /nfs/dbraw/zinc/51/61/29/954516129.db2.gz XBFQYBAEYYQOPC-VKYMVXLJSA-N -1 0 327.424 3.632 20 0 EHADRM C[C@H]1Cc2c(C(=O)[O-])c(NC(=O)CCc3ccco3)sc2[C@H](C)O1 ZINC001589411569 954519055 /nfs/dbraw/zinc/51/90/55/954519055.db2.gz QPDXPNSPUOKNOC-UWVGGRQHSA-N -1 0 349.408 3.633 20 0 EHADRM C[C@@H]1C[C@H]1[C@H]1C[C@H]1C(=O)Nc1sc2c(c1C(=O)[O-])C[C@@H](C)O[C@@H]2C ZINC001589412223 954525989 /nfs/dbraw/zinc/52/59/89/954525989.db2.gz XILBQCOPHADTQO-PAUJSFGCSA-N -1 0 349.452 3.699 20 0 EHADRM O=C([O-])CCCCNC(=O)N1CCC[C@H](CCCc2ccccc2)C1 ZINC000666557379 954559064 /nfs/dbraw/zinc/55/90/64/954559064.db2.gz GLHIRUPFKYOZMN-SFHVURJKSA-N -1 0 346.471 3.686 20 0 EHADRM C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)CCC(=O)[O-])C1CC1 ZINC000678974722 954587958 /nfs/dbraw/zinc/58/79/58/954587958.db2.gz CUCKYDYZCNUJBP-JTQLQIEISA-N -1 0 329.318 3.622 20 0 EHADRM CC/C(=C/C(=O)Nc1ccc(O)c(C(=O)[O-])c1)c1ccc(OC)cc1 ZINC001589420544 954597994 /nfs/dbraw/zinc/59/79/94/954597994.db2.gz WCEPXDIYLFWLSN-BENRWUELSA-N -1 0 341.363 3.531 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)c2ccccc2NCCC2=CCCCC2)C1 ZINC001594933229 954832695 /nfs/dbraw/zinc/83/26/95/954832695.db2.gz NFKFJIVKGZAXTN-INIZCTEOSA-N -1 0 342.439 3.536 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccccc2NCCC2=CCCCC2)C1 ZINC001594933230 954833562 /nfs/dbraw/zinc/83/35/62/954833562.db2.gz NFKFJIVKGZAXTN-MRXNPFEDSA-N -1 0 342.439 3.536 20 0 EHADRM O=C([O-])[C@@H]1CCN(Cc2ccc3c(c2)OC(F)(F)O3)c2ccccc21 ZINC001594934277 954847897 /nfs/dbraw/zinc/84/78/97/954847897.db2.gz ZJUKASYAJQDVDF-CYBMUJFWSA-N -1 0 347.317 3.587 20 0 EHADRM CC[C@H](C)N(Cc1ccccc1)C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001589459025 954855976 /nfs/dbraw/zinc/85/59/76/954855976.db2.gz RXMXIOGTVCHVOH-ZDUSSCGKSA-N -1 0 327.384 3.612 20 0 EHADRM CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001589462313 954861912 /nfs/dbraw/zinc/86/19/12/954861912.db2.gz DMNZBLOVLBUAKE-KDOFPFPSSA-N -1 0 347.455 3.680 20 0 EHADRM O=C([O-])c1c(NC(=O)CCc2cccs2)sc2c1CCCC2 ZINC000386377185 972049210 /nfs/dbraw/zinc/04/92/10/972049210.db2.gz HHEYXIVUWUCKOD-UHFFFAOYSA-N -1 0 335.450 3.958 20 0 EHADRM CC[C@@H](CC(=O)Nc1sc2c(c1C(=O)[O-])COCC2)C(C)C ZINC001589464409 954889390 /nfs/dbraw/zinc/88/93/90/954889390.db2.gz SRQUIGIQUKDOPD-JTQLQIEISA-N -1 0 325.430 3.530 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)Nc2ccc3occc3c2)Cc2ccccc21 ZINC001594947787 954930468 /nfs/dbraw/zinc/93/04/68/954930468.db2.gz SOCDQGPQNJLOED-MRXNPFEDSA-N -1 0 336.347 3.649 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCC[C@H]1/C=C\c1ccccc1)C(=O)[O-] ZINC001603008750 972057456 /nfs/dbraw/zinc/05/74/56/972057456.db2.gz DSAXIAHROWNMFT-LSSLULSBSA-N -1 0 344.455 3.621 20 0 EHADRM CCC(CC)(CNC(=O)[C@H](C)Oc1cccc2ccccc21)C(=O)[O-] ZINC001589481986 954983756 /nfs/dbraw/zinc/98/37/56/954983756.db2.gz SEJFKXKMDMZREO-AWEZNQCLSA-N -1 0 343.423 3.614 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc(-c2ccc[nH]2)cc1)C(=O)[O-] ZINC001589497735 955021861 /nfs/dbraw/zinc/02/18/61/955021861.db2.gz UYXUDQFHLCFNHB-UHFFFAOYSA-N -1 0 329.400 3.694 20 0 EHADRM CCC(CC)[C@@H](NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001589510424 955046919 /nfs/dbraw/zinc/04/69/19/955046919.db2.gz PDFKGOOPIDWMBS-IXDOHACOSA-N -1 0 332.444 3.716 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)N[C@@H](c2ccc(F)cc2F)C2CC2)co1 ZINC001594967164 955069861 /nfs/dbraw/zinc/06/98/61/955069861.db2.gz YJQWEUNLMOQYSK-XQDHMALISA-N -1 0 347.317 3.537 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)co1 ZINC001594967228 955071356 /nfs/dbraw/zinc/07/13/56/955071356.db2.gz ZYKYPHIIVKRYSX-MQDFFIGUSA-N -1 0 347.317 3.633 20 0 EHADRM CC[C@H](CNC(=O)N1CCCCC[C@@H]1c1cccc(C)c1)C(=O)[O-] ZINC001589528415 955136670 /nfs/dbraw/zinc/13/66/70/955136670.db2.gz JROQURNIHRRJKF-NVXWUHKLSA-N -1 0 332.444 3.733 20 0 EHADRM CC[C@H](CNC(=O)NCC1(c2ccccc2C)CCCCC1)C(=O)[O-] ZINC001589536134 955164701 /nfs/dbraw/zinc/16/47/01/955164701.db2.gz ZKLJCIJENMAOMO-MRXNPFEDSA-N -1 0 346.471 3.607 20 0 EHADRM Cc1oc(C(C)(C)C)cc1C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001594505692 955353907 /nfs/dbraw/zinc/35/39/07/955353907.db2.gz ABETWCMJRZTQQR-MRXNPFEDSA-N -1 0 341.407 3.710 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001589007223 955370951 /nfs/dbraw/zinc/37/09/51/955370951.db2.gz KUVNERABMALJHJ-ZDUSSCGKSA-N -1 0 341.411 3.658 20 0 EHADRM C[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)c1c(Cl)cccc1Cl ZINC000823341006 955529133 /nfs/dbraw/zinc/52/91/33/955529133.db2.gz IQUFVSJKILUKFG-DCAQKATOSA-N -1 0 344.238 3.666 20 0 EHADRM O=C([O-])c1cccc(NC(=O)NC[C@@H]2SCCc3ccccc32)c1 ZINC000833138371 955554179 /nfs/dbraw/zinc/55/41/79/955554179.db2.gz GISDKHRPVIJPTR-INIZCTEOSA-N -1 0 342.420 3.537 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)[C@H]1CCCC(F)(F)C1)CCC2 ZINC000387156351 972107846 /nfs/dbraw/zinc/10/78/46/972107846.db2.gz SYPGTVWKDNBEKK-QMMMGPOBSA-N -1 0 329.368 3.699 20 0 EHADRM CC(C)c1nccc(N2CCC(c3ccccc3C(=O)[O-])CC2)n1 ZINC000841507842 955589703 /nfs/dbraw/zinc/58/97/03/955589703.db2.gz WLPVVNTZTCQVOZ-UHFFFAOYSA-N -1 0 325.412 3.682 20 0 EHADRM CC(C)Cc1ccc(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)s1 ZINC001603054498 972122061 /nfs/dbraw/zinc/12/20/61/972122061.db2.gz WNFZSZWVYGHNIE-IBGZPJMESA-N -1 0 345.464 3.719 20 0 EHADRM C[C@H](Cc1ccccc1)n1cccc1C(=O)NCCCCCC(=O)[O-] ZINC001589080617 955848481 /nfs/dbraw/zinc/84/84/81/955848481.db2.gz ISVWAKKUHBHJIJ-MRXNPFEDSA-N -1 0 342.439 3.667 20 0 EHADRM Cc1ccccc1[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000864103613 955932261 /nfs/dbraw/zinc/93/22/61/955932261.db2.gz NNFSITADBKWQBT-SLWQEBJJSA-N -1 0 325.364 3.663 20 0 EHADRM C[C@@H](NC(=O)[C@@]1(C(=O)[O-])CC1(C)C)c1ccc(F)c2ccccc21 ZINC001589090815 955936517 /nfs/dbraw/zinc/93/65/17/955936517.db2.gz ZGDYRPMPZMWMJP-NSPYISDASA-N -1 0 329.371 3.657 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)/C=C/c1csc(C(F)(F)F)c1 ZINC000864133534 955957516 /nfs/dbraw/zinc/95/75/16/955957516.db2.gz RSOOLJHNBUKKMG-SGUJLRQBSA-N -1 0 347.358 3.636 20 0 EHADRM Cc1cc([C@@H](NC(=O)/C=C\c2ccc(C(=O)[O-])o2)C2CC2)ccc1F ZINC000864153053 955970125 /nfs/dbraw/zinc/97/01/25/955970125.db2.gz WSQLTODHIQQALD-KKMIYCERSA-N -1 0 343.354 3.706 20 0 EHADRM Cc1nc2cccc(Cl)c2cc1C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000868440903 956013590 /nfs/dbraw/zinc/01/35/90/956013590.db2.gz PBXMSALUVOJKOC-UHFFFAOYSA-N -1 0 346.814 3.524 20 0 EHADRM CC(C)c1cnc(NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])s1 ZINC001603105695 972177708 /nfs/dbraw/zinc/17/77/08/972177708.db2.gz CNABJEFMENKWNK-JTQLQIEISA-N -1 0 327.450 3.668 20 0 EHADRM C[C@@H]1CN(C(=O)c2coc(/C=C/C(=O)[O-])c2)CC[C@H]1c1ccccc1 ZINC000901598100 956363022 /nfs/dbraw/zinc/36/30/22/956363022.db2.gz ALXGCZONWNDQLE-WXVPVVBVSA-N -1 0 339.391 3.643 20 0 EHADRM C[C@@H](OCCCNC(=O)C1(C(=O)[O-])CCCCCC1)c1ccccc1 ZINC001589163336 956425586 /nfs/dbraw/zinc/42/55/86/956425586.db2.gz VZMPNKWJSYJTKK-MRXNPFEDSA-N -1 0 347.455 3.696 20 0 EHADRM C[C@H](SCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[O-] ZINC001589169402 956458950 /nfs/dbraw/zinc/45/89/50/956458950.db2.gz GRPMPODYVADRAT-LURJTMIESA-N -1 0 341.738 3.504 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)C1(C(=O)[O-])CC=CC1 ZINC001589174356 956477901 /nfs/dbraw/zinc/47/79/01/956477901.db2.gz AJHYVWHTQOGUIH-STQMWFEESA-N -1 0 335.831 3.711 20 0 EHADRM C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001589174879 956486463 /nfs/dbraw/zinc/48/64/63/956486463.db2.gz SJHNCSVCUXUHAO-CYBMUJFWSA-N -1 0 349.390 3.608 20 0 EHADRM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2coc(/C=C/C(=O)[O-])c2)C1 ZINC000901857066 956504750 /nfs/dbraw/zinc/50/47/50/956504750.db2.gz IAPCAUPGIPVKOM-ASTIABHMSA-N -1 0 343.354 3.740 20 0 EHADRM CC(C)n1cc2cc(NC(=O)C3(C(=O)[O-])C(C)(C)C3(C)C)ccc2n1 ZINC001603114543 972189674 /nfs/dbraw/zinc/18/96/74/972189674.db2.gz CKANMNKQOQGYSV-UHFFFAOYSA-N -1 0 343.427 3.693 20 0 EHADRM C[C@@H](c1ccccc1)N(C(=O)Nc1ccnc(C(=O)[O-])c1)C1CC1 ZINC001589177318 956513084 /nfs/dbraw/zinc/51/30/84/956513084.db2.gz QDOAVQMMGBKWQN-LBPRGKRZSA-N -1 0 325.368 3.537 20 0 EHADRM CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001589191386 956596110 /nfs/dbraw/zinc/59/61/10/956596110.db2.gz ZVNLUPIEHRQLEU-HUUCEWRRSA-N -1 0 338.492 3.735 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)/C=C\Sc1cc(F)ccc1F ZINC001594670752 956615996 /nfs/dbraw/zinc/61/59/96/956615996.db2.gz UIIPEYYHKURFCX-FPLPWBNLSA-N -1 0 349.358 3.585 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)O[C@H](C2CCCC2)C(F)(F)F)o1 ZINC001594674370 956645695 /nfs/dbraw/zinc/64/56/95/956645695.db2.gz PUHNZHNNZGWKLE-STMXVASLSA-N -1 0 332.274 3.655 20 0 EHADRM C[C@H](CC(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001603120785 972205502 /nfs/dbraw/zinc/20/55/02/972205502.db2.gz VCRXOGYDKISFLM-JTNHKYCSSA-N -1 0 343.345 3.663 20 0 EHADRM O=C([O-])CCCCC(=O)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000902342511 956707888 /nfs/dbraw/zinc/70/78/88/956707888.db2.gz OBQJYPCXSWSOOM-UHFFFAOYSA-N -1 0 337.725 3.620 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Oc1cc(Cl)cc(Br)c1 ZINC001589220035 956762916 /nfs/dbraw/zinc/76/29/16/956762916.db2.gz JSNCJQWTTHOCNR-CYBMUJFWSA-N -1 0 347.592 3.509 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)[C@]2(C(=O)[O-])CC=CCC2)c2ccccc21 ZINC001589225190 956787800 /nfs/dbraw/zinc/78/78/00/956787800.db2.gz UJHDVOLSNABCMU-UZLBHIALSA-N -1 0 327.424 3.726 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)[C@H]2CC[C@H]2C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001589225298 956788502 /nfs/dbraw/zinc/78/85/02/956788502.db2.gz WMPNWZFXHPIRSO-YLFCFFPRSA-N -1 0 329.440 3.576 20 0 EHADRM CC1(C)CCc2cccc(NC(=O)NCCCCCC(=O)[O-])c2O1 ZINC001589226612 956804073 /nfs/dbraw/zinc/80/40/73/956804073.db2.gz DOHDBUDLGNVQCL-UHFFFAOYSA-N -1 0 334.416 3.557 20 0 EHADRM CC(C)(C)SCC(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21 ZINC000902827392 956817566 /nfs/dbraw/zinc/81/75/66/956817566.db2.gz KTEMUIMVQARZOJ-ZDUSSCGKSA-N -1 0 335.469 3.588 20 0 EHADRM Cc1cc(C)c(C(=O)N2C[C@H](CCC(=O)[O-])Cc3ccccc32)o1 ZINC000902826731 956817944 /nfs/dbraw/zinc/81/79/44/956817944.db2.gz VBAXOLPUMRBJHI-CQSZACIVSA-N -1 0 327.380 3.580 20 0 EHADRM O=C([O-])C1(CNC(=O)Cc2ccc(C3CCCCC3)cc2)CCC1 ZINC001594706567 956842830 /nfs/dbraw/zinc/84/28/30/956842830.db2.gz IRLIOFKAHNGAIO-UHFFFAOYSA-N -1 0 329.440 3.648 20 0 EHADRM CC1(C)[C@@H](c2ccccc2)[C@@H]1NC(=O)Nc1ccccc1CC(=O)[O-] ZINC001589238507 956849928 /nfs/dbraw/zinc/84/99/28/956849928.db2.gz TXRCUNBKGUETDA-ROUUACIJSA-N -1 0 338.407 3.627 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)Cc2cccc(Cl)c2Cl)c1 ZINC001594708677 956861962 /nfs/dbraw/zinc/86/19/62/956861962.db2.gz JOKPJSYZEOSBLG-UHFFFAOYSA-N -1 0 338.190 3.551 20 0 EHADRM Cc1c(C(=O)[O-])sc2[nH]c(C=Cc3ccccc3Cl)nc(=O)c12 ZINC000007503076 956881768 /nfs/dbraw/zinc/88/17/68/956881768.db2.gz PKWNMPUNKKYIHA-VOTSOKGWSA-N -1 0 346.795 3.815 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CC[C@@](C)(CCc2ccccc2)C1 ZINC001589240971 956887332 /nfs/dbraw/zinc/88/73/32/956887332.db2.gz FABAFJSGUVGHIE-OXJNMPFZSA-N -1 0 331.456 3.605 20 0 EHADRM CCc1nc(-c2cc(Br)ccc2OC)sc1C(=O)[O-] ZINC000011956476 956899409 /nfs/dbraw/zinc/89/94/09/956899409.db2.gz YHNCFZROPYLRPL-UHFFFAOYSA-N -1 0 342.214 3.842 20 0 EHADRM O=C([O-])c1ccc([N+](=O)[O-])c(OCc2cccc(C(F)(F)F)c2)c1 ZINC000013187616 956971690 /nfs/dbraw/zinc/97/16/90/956971690.db2.gz DXIAEZGFTXUBOP-UHFFFAOYSA-N -1 0 341.241 3.891 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)c2cccc(F)c2Cl)c2ccccc21 ZINC001594725562 956995230 /nfs/dbraw/zinc/99/52/30/956995230.db2.gz AVALZUOOLSUJEX-GXTWGEPZSA-N -1 0 333.746 3.522 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)Oc2cc(C(=O)[O-])ccc2C)cc1 ZINC000013269756 957005541 /nfs/dbraw/zinc/00/55/41/957005541.db2.gz XALIKCTUSUERCH-LBPRGKRZSA-N -1 0 348.420 3.974 20 0 EHADRM CCC(CC)(CNC(=O)c1ccccc1COC(C)(C)C)C(=O)[O-] ZINC000909383376 957014613 /nfs/dbraw/zinc/01/46/13/957014613.db2.gz RYZZZABAMHFNNZ-UHFFFAOYSA-N -1 0 335.444 3.623 20 0 EHADRM Cc1cc(C(=O)N2CCC(CCC(=O)[O-])CC2)c2nccc(C)c2c1 ZINC000909441433 957020166 /nfs/dbraw/zinc/02/01/66/957020166.db2.gz YNVSEUMTYDSRGJ-UHFFFAOYSA-N -1 0 340.423 3.569 20 0 EHADRM CC(C)(C)SCCCC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000909623475 957030618 /nfs/dbraw/zinc/03/06/18/957030618.db2.gz BCJGYXCBBDNDME-JKSUJKDBSA-N -1 0 349.496 3.625 20 0 EHADRM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)[O-])cc2C)c1 ZINC000013391592 957048765 /nfs/dbraw/zinc/04/87/65/957048765.db2.gz HAORSLPMOJXLEQ-UHFFFAOYSA-N -1 0 346.364 3.576 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCc1ccccc1C(F)(F)F ZINC000013420132 957062897 /nfs/dbraw/zinc/06/28/97/957062897.db2.gz VOPISJTVFVELCK-UHFFFAOYSA-N -1 0 326.270 3.991 20 0 EHADRM CC[C@@H](c1ccncc1)N(CC)C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC000911415892 957065646 /nfs/dbraw/zinc/06/56/46/957065646.db2.gz HFTLENJYUJPOFP-KRWDZBQOSA-N -1 0 326.396 3.702 20 0 EHADRM Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000013438703 957076353 /nfs/dbraw/zinc/07/63/53/957076353.db2.gz MMCFMVFQHJBHKY-UHFFFAOYSA-N -1 0 341.407 3.763 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000925897767 957133389 /nfs/dbraw/zinc/13/33/89/957133389.db2.gz COHNECVMGWVZRC-JKSUJKDBSA-N -1 0 330.428 3.693 20 0 EHADRM COc1ccc(Nc2nc(C)nc3sc(C(=O)[O-])c(C)c32)cc1 ZINC000020328792 957136738 /nfs/dbraw/zinc/13/67/38/957136738.db2.gz XTJNNJZJEQMCGP-UHFFFAOYSA-N -1 0 329.381 3.759 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(-c2ccccc2)s1 ZINC001118114371 957157916 /nfs/dbraw/zinc/15/79/16/957157916.db2.gz CEKXRTWKPFULPC-TZMCWYRMSA-N -1 0 329.421 3.740 20 0 EHADRM C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000027974713 957163486 /nfs/dbraw/zinc/16/34/86/957163486.db2.gz RUFLIDRRKVBYOF-AWEZNQCLSA-N -1 0 349.386 3.622 20 0 EHADRM Cc1nc(-c2ccc([C@@H](C)NC(=O)CCCC(=O)[O-])cc2)cs1 ZINC001118223652 957164069 /nfs/dbraw/zinc/16/40/69/957164069.db2.gz YFRFTXZQSXEJIH-LLVKDONJSA-N -1 0 332.425 3.551 20 0 EHADRM CCCC[C@H](NC(=O)CCSc1ccccc1Cl)C(=O)[O-] ZINC000035095420 957196709 /nfs/dbraw/zinc/19/67/09/957196709.db2.gz MKGSZHCASDUEQE-LBPRGKRZSA-N -1 0 329.849 3.582 20 0 EHADRM CCC[C@](C)(NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000036338186 957230498 /nfs/dbraw/zinc/23/04/98/957230498.db2.gz OHOKYZWUUWTLSM-BMIGLBTASA-N -1 0 329.849 3.580 20 0 EHADRM Cc1sc(NC(=O)c2cc(Cl)c(Cl)n2C)c(C(=O)[O-])c1C ZINC000037448856 957290516 /nfs/dbraw/zinc/29/05/16/957290516.db2.gz KUPKFIHEWPLMGS-UHFFFAOYSA-N -1 0 347.223 3.961 20 0 EHADRM O=C([O-])COc1ccc(/C=C/C(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000044027432 957443847 /nfs/dbraw/zinc/44/38/47/957443847.db2.gz SUNBLYOSWCOIQW-FPYGCLRLSA-N -1 0 334.730 3.839 20 0 EHADRM Cc1c(NC(=O)NC[C@H]2CCCCC2(F)F)cccc1C(=O)[O-] ZINC000390212062 972270244 /nfs/dbraw/zinc/27/02/44/972270244.db2.gz XSMKMQINZOOSQH-LLVKDONJSA-N -1 0 326.343 3.640 20 0 EHADRM Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c(C(=O)[O-])c1 ZINC000390298436 972274265 /nfs/dbraw/zinc/27/42/65/972274265.db2.gz KGKXFBGFCRJUCA-NSHDSACASA-N -1 0 333.771 3.753 20 0 EHADRM O=C([O-])c1coc(COc2cc(Br)ccc2Cl)c1 ZINC000070133939 957661111 /nfs/dbraw/zinc/66/11/11/957661111.db2.gz GDPYWRQHLSIHGO-UHFFFAOYSA-N -1 0 331.549 3.973 20 0 EHADRM CCCCN(CCCC)C(=O)COc1ccc(C(=O)[O-])cc1Cl ZINC000390437091 972284600 /nfs/dbraw/zinc/28/46/00/972284600.db2.gz WLIKIPKDQGXRQZ-UHFFFAOYSA-N -1 0 341.835 3.846 20 0 EHADRM CC(C)c1ccc(O[C@@H](C)CNC(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC001603190993 972290448 /nfs/dbraw/zinc/29/04/48/972290448.db2.gz DOPISVYMHKZDEA-AWEZNQCLSA-N -1 0 341.407 3.706 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NC[C@H](C)Oc2ccc(Cl)cc2)c1 ZINC001594285519 957773898 /nfs/dbraw/zinc/77/38/98/957773898.db2.gz GOTKLUHPGKVOQV-LBPRGKRZSA-N -1 0 347.798 3.544 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NCC(C)(C)c2ccccc2F)c1 ZINC001594286806 957786224 /nfs/dbraw/zinc/78/62/24/957786224.db2.gz SCHLNEBWGCUYKP-UHFFFAOYSA-N -1 0 329.371 3.540 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)ccn1 ZINC001574791371 957815692 /nfs/dbraw/zinc/81/56/92/957815692.db2.gz ZOJYWBOJXZDARP-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM O=C([O-])c1ccc(C(=O)O[C@@H](c2ccccc2)c2ccccn2)cc1 ZINC001574795793 957817875 /nfs/dbraw/zinc/81/78/75/957817875.db2.gz FZFWGUFERWMNLB-SFHVURJKSA-N -1 0 333.343 3.726 20 0 EHADRM Cc1cc(C(=O)OCc2ccc(C(=O)[O-])cc2)c2ccc(F)cc2n1 ZINC001594290599 957828291 /nfs/dbraw/zinc/82/82/91/957828291.db2.gz ZWWWTODRRJAYJQ-UHFFFAOYSA-N -1 0 339.322 3.738 20 0 EHADRM Cc1cc(C)c(C)c(OCCC(=O)NC2(CC(=O)[O-])CCCCC2)c1 ZINC001594292575 957836727 /nfs/dbraw/zinc/83/67/27/957836727.db2.gz POHKHYYVDADKFU-UHFFFAOYSA-N -1 0 347.455 3.675 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2ccc([C@@H]3CCCOC3)cc2)cc1 ZINC001574803263 957845411 /nfs/dbraw/zinc/84/54/11/957845411.db2.gz XKKHQXHUOADEDR-GOSISDBHSA-N -1 0 340.375 3.636 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CC2(CCC2)c2c1cccc2F ZINC001574811070 957878301 /nfs/dbraw/zinc/87/83/01/957878301.db2.gz VVKYCCPEAWZSDQ-UHFFFAOYSA-N -1 0 339.366 3.535 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)N[C@@H](c1cccs1)C1CC1 ZINC001339845406 957891395 /nfs/dbraw/zinc/89/13/95/957891395.db2.gz KTEMELOXIDTXRG-CZUORRHYSA-N -1 0 336.457 3.628 20 0 EHADRM COc1c(Cl)cccc1NC(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1 ZINC001594046583 957935696 /nfs/dbraw/zinc/93/56/96/957935696.db2.gz VFXJVUOGWFVZGO-CQSZACIVSA-N -1 0 348.786 3.604 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)N[C@H]1C[C@H](c2ccccc2F)C1 ZINC001341365139 957986180 /nfs/dbraw/zinc/98/61/80/957986180.db2.gz XXMHXJHXNOLNRO-RBSFLKMASA-N -1 0 348.418 3.501 20 0 EHADRM Cc1cc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc(F)c1Br ZINC001594315098 958061013 /nfs/dbraw/zinc/06/10/13/958061013.db2.gz XOACYMKDUKBFOI-SNVBAGLBSA-N -1 0 346.196 3.582 20 0 EHADRM Cc1cc(NC(=O)Nc2ccc3c(c2)C[C@H](C)O3)ccc1C(=O)[O-] ZINC001594323540 958142432 /nfs/dbraw/zinc/14/24/32/958142432.db2.gz OYTAMWHYZSIROP-NSHDSACASA-N -1 0 326.352 3.661 20 0 EHADRM CC(C)[C@H](CNC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1 ZINC001356608570 958177476 /nfs/dbraw/zinc/17/74/76/958177476.db2.gz PJQJXGZFWIDHJT-WMZOPIPTSA-N -1 0 346.471 3.713 20 0 EHADRM Cc1cc(OC(=O)c2ccc(C(=O)[O-])cc2)ccc1Br ZINC001594326512 958178550 /nfs/dbraw/zinc/17/85/50/958178550.db2.gz FAABLMLOOZLZBG-UHFFFAOYSA-N -1 0 335.153 3.675 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)N2CCCC[C@@H]2CC(=O)[O-])ccc1C(C)C ZINC001594327246 958185406 /nfs/dbraw/zinc/18/54/06/958185406.db2.gz UIWQCJJCJLFVLM-HZPDHXFCSA-N -1 0 347.455 3.742 20 0 EHADRM Cc1cc(O[C@@H](C)C(=O)N2CCCC[C@@H]2CC(=O)[O-])ccc1C(C)C ZINC001594327247 958185551 /nfs/dbraw/zinc/18/55/51/958185551.db2.gz UIWQCJJCJLFVLM-JKSUJKDBSA-N -1 0 347.455 3.742 20 0 EHADRM C[C@H](NC(=O)C1(C(=O)[O-])CCCCCC1)c1c(F)cccc1F ZINC001603216078 972329822 /nfs/dbraw/zinc/32/98/22/972329822.db2.gz NTMIFWHGJIFEJI-NSHDSACASA-N -1 0 325.355 3.567 20 0 EHADRM Cc1[nH]nc(NC(=O)c2cccc(C(=O)[O-])c2)c1-c1ccc(C)cc1 ZINC001594333371 958245716 /nfs/dbraw/zinc/24/57/16/958245716.db2.gz RZSPVPZJHPFIDV-UHFFFAOYSA-N -1 0 335.363 3.644 20 0 EHADRM Cc1ccc(-c2nc3ccccc3c(N3CC[C@@H](C(=O)[O-])C3)n2)s1 ZINC001594335386 958259102 /nfs/dbraw/zinc/25/91/02/958259102.db2.gz QIZNQHJEUHHKMQ-GFCCVEGCSA-N -1 0 339.420 3.578 20 0 EHADRM Cc1ccc(C(C)(C)CN(C)C(=O)Nc2cccnc2C(=O)[O-])cc1 ZINC001594350226 958345775 /nfs/dbraw/zinc/34/57/75/958345775.db2.gz XDNUHIOJUHDHHA-UHFFFAOYSA-N -1 0 341.411 3.530 20 0 EHADRM Cc1ccc(CC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc1Cl ZINC001594353259 958379923 /nfs/dbraw/zinc/37/99/23/958379923.db2.gz ANKSYQKONBBVEC-CQSZACIVSA-N -1 0 325.836 3.587 20 0 EHADRM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)NCC2(C(=O)[O-])CCC2)cc1 ZINC001594354338 958399234 /nfs/dbraw/zinc/39/92/34/958399234.db2.gz RVBYMIXLQFYUEU-RDJZCZTQSA-N -1 0 344.455 3.733 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)c(C)c1 ZINC001594354853 958405246 /nfs/dbraw/zinc/40/52/46/958405246.db2.gz JTBFHAUHJZNELD-SJORKVTESA-N -1 0 348.487 3.671 20 0 EHADRM Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC001594369516 958532965 /nfs/dbraw/zinc/53/29/65/958532965.db2.gz YJIMZVDDQCUZSL-CQSZACIVSA-N -1 0 348.443 3.665 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001588480330 958587085 /nfs/dbraw/zinc/58/70/85/958587085.db2.gz IQHLLUPVXBPMAZ-FERCGXDMSA-N -1 0 335.403 3.609 20 0 EHADRM Cc1ccc(Oc2ccccc2NC(=O)N(C)CCC(=O)[O-])cc1 ZINC001594376816 958594786 /nfs/dbraw/zinc/59/47/86/958594786.db2.gz DMTCAVCLHHWMKP-UHFFFAOYSA-N -1 0 328.368 3.726 20 0 EHADRM C[C@H](C(=O)Nc1ccnc(C(=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC001573366048 958625156 /nfs/dbraw/zinc/62/51/56/958625156.db2.gz ZRAQKPGXHFIRHF-VIFPVBQESA-N -1 0 338.285 3.541 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)Nc1ccccc1OCc1cccc(Cl)c1 ZINC001573372747 958642517 /nfs/dbraw/zinc/64/25/17/958642517.db2.gz ZFZLIISNEXECRM-LLVKDONJSA-N -1 0 333.771 3.578 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)Nc1cc(Cl)c(Cl)cc1F)C1CC1 ZINC001573375779 958653785 /nfs/dbraw/zinc/65/37/85/958653785.db2.gz SPFANFYFACJNKA-ZCFIWIBFSA-N -1 0 335.162 3.602 20 0 EHADRM Cc1cccc(C(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)n1 ZINC001594388233 958693882 /nfs/dbraw/zinc/69/38/82/958693882.db2.gz SJMOQJRILKGNGP-SECBINFHSA-N -1 0 330.409 3.527 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc(C(=O)[O-])c1)C1CCC(F)(F)CC1 ZINC001603235918 972370013 /nfs/dbraw/zinc/37/00/13/972370013.db2.gz CAYCUUZWUCVJAF-SNVBAGLBSA-N -1 0 326.343 3.720 20 0 EHADRM Cc1cccc([C@@H](NC(=O)C[C@@H](C)c2ccccc2F)C(=O)[O-])c1 ZINC001594391269 958724935 /nfs/dbraw/zinc/72/49/35/958724935.db2.gz BCORBDCBDHDQEH-FZKQIMNGSA-N -1 0 329.371 3.570 20 0 EHADRM Cc1ccsc1CCCC(=O)N[C@H](C(=O)[O-])c1cccc(C)c1 ZINC001594391716 958733379 /nfs/dbraw/zinc/73/33/79/958733379.db2.gz KIIITDFCWCPSAA-KRWDZBQOSA-N -1 0 331.437 3.630 20 0 EHADRM Cc1ccc(CCCC(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2)s1 ZINC001594393343 958750820 /nfs/dbraw/zinc/75/08/20/958750820.db2.gz RYXFZZATPUHNIC-QGZVFWFLSA-N -1 0 331.437 3.630 20 0 EHADRM COc1ccccc1C/C(C)=C\C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001594145301 958755932 /nfs/dbraw/zinc/75/59/32/958755932.db2.gz MZUVVQNMFIXWLY-OMACXJQVSA-N -1 0 347.455 3.580 20 0 EHADRM CN(CC(C)(C)C)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000132539528 958787966 /nfs/dbraw/zinc/78/79/66/958787966.db2.gz QWOWTKSGEBZYSH-UHFFFAOYSA-N -1 0 343.221 3.657 20 0 EHADRM Cc1cccc(Cl)c1C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001594403640 958872257 /nfs/dbraw/zinc/87/22/57/958872257.db2.gz JXQQKRCULMNUBW-DZGCQCFKSA-N -1 0 329.783 3.691 20 0 EHADRM CC(C)(CNC(=O)[C@@H](C(=O)[O-])C1CCCC1)c1ccc(Cl)cc1 ZINC001573474658 958955494 /nfs/dbraw/zinc/95/54/94/958955494.db2.gz HLWBRCSBXGAZSW-HNNXBMFYSA-N -1 0 337.847 3.625 20 0 EHADRM Cc1ccccc1-c1noc(CNc2cccc(CCC(=O)[O-])c2)n1 ZINC001594413513 958970562 /nfs/dbraw/zinc/97/05/62/958970562.db2.gz FKFLUZKEZXXENA-UHFFFAOYSA-N -1 0 337.379 3.674 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)Nc1cc(C(=O)[O-])ccn1)C(C)C ZINC001594416065 959005926 /nfs/dbraw/zinc/00/59/26/959005926.db2.gz ZCHXNNVCKRAXCN-MRXNPFEDSA-N -1 0 327.384 3.607 20 0 EHADRM C[C@@H](C(=O)N1CCCc2cc(C(=O)[O-])ccc21)c1ccccc1F ZINC001588550673 959011739 /nfs/dbraw/zinc/01/17/39/959011739.db2.gz ATJJUKCKGJJELP-GFCCVEGCSA-N -1 0 327.355 3.607 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)C2(C(=O)[O-])CCCCC2)C1 ZINC001594417026 959012506 /nfs/dbraw/zinc/01/25/06/959012506.db2.gz QDLIHNYVEPLEJR-JKSUJKDBSA-N -1 0 329.440 3.735 20 0 EHADRM Cc1ccccc1COC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001594418173 959033660 /nfs/dbraw/zinc/03/36/60/959033660.db2.gz MPLWJLWZHRJCQG-IRXDYDNUSA-N -1 0 325.364 3.534 20 0 EHADRM CC(C)[C@H](NC(=O)c1coc(/C=C/C(=O)[O-])c1)c1ccccc1F ZINC001573498620 959040956 /nfs/dbraw/zinc/04/09/56/959040956.db2.gz FELJOGVBJIJSJT-OZSKJFCKSA-N -1 0 331.343 3.644 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@@H]1CCC[C@H]1Cc1ccccc1)C(=O)[O-] ZINC001573509713 959086507 /nfs/dbraw/zinc/08/65/07/959086507.db2.gz QQQYWFVHHGWZFA-RCCFBDPRSA-N -1 0 331.456 3.509 20 0 EHADRM CSCCCC(=O)Nc1sc2c(c1C(=O)[O-])C[C@@H](C)O[C@@H]2C ZINC001594184471 959106911 /nfs/dbraw/zinc/10/69/11/959106911.db2.gz MSSYIOBIOLBBBW-RKDXNWHRSA-N -1 0 343.470 3.550 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000392048802 972404012 /nfs/dbraw/zinc/40/40/12/972404012.db2.gz SSKVTSYEHKTOIA-AWEZNQCLSA-N -1 0 326.396 3.596 20 0 EHADRM CN(Cc1ccco1)C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000392067132 972406684 /nfs/dbraw/zinc/40/66/84/972406684.db2.gz QBCIEODKHJJCRY-UHFFFAOYSA-N -1 0 342.273 3.661 20 0 EHADRM Cc1cnc2c(NC(=O)c3ccc(C(=O)[O-])cn3)cccc2c1Cl ZINC001594430786 959176787 /nfs/dbraw/zinc/17/67/87/959176787.db2.gz ZEMBRUNETLKXPY-UHFFFAOYSA-N -1 0 341.754 3.542 20 0 EHADRM CSc1ccc(NC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC001594193819 959182370 /nfs/dbraw/zinc/18/23/70/959182370.db2.gz MJYAHHREMSVHLT-GOSISDBHSA-N -1 0 344.436 3.573 20 0 EHADRM CC(C)Cc1ccc(CCCC(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC001573539527 959186084 /nfs/dbraw/zinc/18/60/84/959186084.db2.gz PYLAADVWLPJJDK-GOSISDBHSA-N -1 0 331.456 3.674 20 0 EHADRM CC(C)Cc1ccc(CCCC(=O)NCC2(C(=O)[O-])CCC2)cc1 ZINC001573539697 959188200 /nfs/dbraw/zinc/18/82/00/959188200.db2.gz VNZOOPCQWUTGIO-UHFFFAOYSA-N -1 0 331.456 3.579 20 0 EHADRM Cc1csc(C2(NC(=O)Nc3ccccc3C(=O)[O-])CCCC2)n1 ZINC001594438264 959254980 /nfs/dbraw/zinc/25/49/80/959254980.db2.gz XVVCYWPFFDZWMR-UHFFFAOYSA-N -1 0 345.424 3.741 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2cccc(SC(F)(F)F)c2)CCC1 ZINC001605757175 972419244 /nfs/dbraw/zinc/41/92/44/972419244.db2.gz VXWYCTJJSBHUHH-UHFFFAOYSA-N -1 0 348.346 3.675 20 0 EHADRM Cc1nc(-c2ccccn2)sc1C(=O)Nc1sccc1C(=O)[O-] ZINC001594446116 959329486 /nfs/dbraw/zinc/32/94/86/959329486.db2.gz RINYRNMEYCOCLW-UHFFFAOYSA-N -1 0 345.405 3.526 20 0 EHADRM Cc1nc(NC(=O)N([C@@H](C)C(=O)[O-])C2CC2)sc1-c1ccccc1 ZINC001594456681 959423191 /nfs/dbraw/zinc/42/31/91/959423191.db2.gz OKQSVUNFYFJPTB-NSHDSACASA-N -1 0 345.424 3.588 20 0 EHADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Nc1nc(-c2cc3ccccc3o2)cs1 ZINC001594227680 959440960 /nfs/dbraw/zinc/44/09/60/959440960.db2.gz FAPHZAUCJSFYNR-XLFHBGCDSA-N -1 0 342.376 3.606 20 0 EHADRM CCN(CCOc1ccccc1C(=O)[O-])Cc1c(F)cccc1F ZINC000183920373 959455765 /nfs/dbraw/zinc/45/57/65/959455765.db2.gz PHGASDLXDPUYKJ-UHFFFAOYSA-N -1 0 335.350 3.564 20 0 EHADRM Cc1nc2c(F)cccc2cc1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001594461778 959465874 /nfs/dbraw/zinc/46/58/74/959465874.db2.gz OSRGNUFENIEXGJ-UHFFFAOYSA-N -1 0 338.338 3.562 20 0 EHADRM C[C@H](NC(=O)NCc1ccccc1C(=O)[O-])c1cc2ccccc2o1 ZINC001594235620 959509125 /nfs/dbraw/zinc/50/91/25/959509125.db2.gz VAPGEABYFCGNHK-LBPRGKRZSA-N -1 0 338.363 3.691 20 0 EHADRM C[C@H](NC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)c1ccc(-c2ccccc2)cc1 ZINC001594235611 959509391 /nfs/dbraw/zinc/50/93/91/959509391.db2.gz UBSBZHGUSOPONJ-KKXDTOCCSA-N -1 0 338.407 3.577 20 0 EHADRM O=C([O-])[C@H]1CCCCN1C(=O)CCCc1ccc2ccccc2c1 ZINC000190552651 959513155 /nfs/dbraw/zinc/51/31/55/959513155.db2.gz ZZQCIFHMSOBFNP-GOSISDBHSA-N -1 0 325.408 3.628 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(OCc3ccccc3)nc2)cc1 ZINC000190599019 959514650 /nfs/dbraw/zinc/51/46/50/959514650.db2.gz WXJVRPPVWFRQCP-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM CC(C)c1cccc(-c2ccc(C(=O)N(C)C[C@@H](C)C(=O)[O-])o2)c1 ZINC000190931545 959529984 /nfs/dbraw/zinc/52/99/84/959529984.db2.gz KPDGQKTZJNPHPR-CYBMUJFWSA-N -1 0 329.396 3.863 20 0 EHADRM Cc1ccc(SC2CCCC2)c(C(=O)N(C)C[C@H](C)C(=O)[O-])c1 ZINC000190940782 959531443 /nfs/dbraw/zinc/53/14/43/959531443.db2.gz HWUIKWPPLKCMDJ-ZDUSSCGKSA-N -1 0 335.469 3.822 20 0 EHADRM CCC(CC)(CNC(=O)CC1CCC(C(F)(F)F)CC1)C(=O)[O-] ZINC000191119220 959542436 /nfs/dbraw/zinc/54/24/36/959542436.db2.gz NDHSOQBBVJKXQN-UHFFFAOYSA-N -1 0 337.382 3.752 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)CCC(=O)c2ccccc2)cc1)C(=O)[O-] ZINC000191385215 959554738 /nfs/dbraw/zinc/55/47/38/959554738.db2.gz OYZIGGCYOIMEST-AWEZNQCLSA-N -1 0 339.391 3.551 20 0 EHADRM Cc1ccccc1C1(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)CC1 ZINC000191409026 959562794 /nfs/dbraw/zinc/56/27/94/959562794.db2.gz GFFICJIXACIBPU-OAHLLOKOSA-N -1 0 337.419 3.929 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(COc3ccccc3)cc2)o1 ZINC000191589049 959585303 /nfs/dbraw/zinc/58/53/03/959585303.db2.gz LZTRWJHVFZNWNB-UHFFFAOYSA-N -1 0 337.331 3.809 20 0 EHADRM COc1c(C)cc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1C ZINC000192869520 959592460 /nfs/dbraw/zinc/59/24/60/959592460.db2.gz QDPURTCWXMGVLN-YOEHRIQHSA-N -1 0 341.407 3.504 20 0 EHADRM COc1c(C)cc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1C ZINC000192869491 959593138 /nfs/dbraw/zinc/59/31/38/959593138.db2.gz QDPURTCWXMGVLN-PBHICJAKSA-N -1 0 341.407 3.504 20 0 EHADRM CC[C@@H](CC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccc(OC)cc1 ZINC000192913506 959596304 /nfs/dbraw/zinc/59/63/04/959596304.db2.gz VSVRUTPPGIESFF-CVEARBPZSA-N -1 0 347.455 3.682 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1cc(Br)ccc1Cl ZINC001573666990 959696078 /nfs/dbraw/zinc/69/60/78/959696078.db2.gz DMGHYFKCUAVQBO-ZDUSSCGKSA-N -1 0 346.608 3.542 20 0 EHADRM CC1(C)CCc2c(OC(=O)/C=C/c3ccc(C(=O)[O-])o3)cccc2O1 ZINC001573674823 959720175 /nfs/dbraw/zinc/72/01/75/959720175.db2.gz FNPKTNPEIFGJHM-VQHVLOKHSA-N -1 0 342.347 3.700 20 0 EHADRM O=C([O-])COc1ccc(C(=O)/C=C\c2c(F)cccc2Cl)cc1 ZINC000213653213 959723605 /nfs/dbraw/zinc/72/36/05/959723605.db2.gz GAVGPRDUAGAKGP-HJWRWDBZSA-N -1 0 334.730 3.839 20 0 EHADRM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N(CC(=O)[O-])C1CCC1 ZINC001594266133 959738217 /nfs/dbraw/zinc/73/82/17/959738217.db2.gz BPJNLUZGGZDVSQ-AWEZNQCLSA-N -1 0 332.444 3.531 20 0 EHADRM CC(C)(C)CCN(CCc1ccccc1)C(=O)[C@H](C(=O)[O-])C1CC1 ZINC001588651791 959774967 /nfs/dbraw/zinc/77/49/67/959774967.db2.gz STCMZBIATNQURT-QGZVFWFLSA-N -1 0 331.456 3.605 20 0 EHADRM O=C([O-])c1coc(COc2cc(Br)cc(F)c2F)c1 ZINC000219730831 959797377 /nfs/dbraw/zinc/79/73/77/959797377.db2.gz COOYZNSZUATFFM-UHFFFAOYSA-N -1 0 333.084 3.598 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001573701767 959837263 /nfs/dbraw/zinc/83/72/63/959837263.db2.gz RTXOUXXRMIMNNY-WWGRRREGSA-N -1 0 339.395 3.578 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC001573711378 959851259 /nfs/dbraw/zinc/85/12/59/959851259.db2.gz MGMKFILQYKMBEZ-IUCAKERBSA-N -1 0 349.736 3.684 20 0 EHADRM N#Cc1ccc(NCCc2ccc(C(=O)[O-])cc2)cc1Br ZINC000228162570 959996818 /nfs/dbraw/zinc/99/68/18/959996818.db2.gz HHSQOJOBPYLQLY-UHFFFAOYSA-N -1 0 345.196 3.674 20 0 EHADRM Cc1ccc2c(CC(=O)Nc3c(F)cccc3C(=O)[O-])coc2c1 ZINC000392495543 972490891 /nfs/dbraw/zinc/49/08/91/972490891.db2.gz NZBFGUYKULFWEJ-UHFFFAOYSA-N -1 0 327.311 3.760 20 0 EHADRM COc1ccc(NCc2ccc(C(=O)[O-])cc2Br)cc1 ZINC000232439292 960272419 /nfs/dbraw/zinc/27/24/19/960272419.db2.gz FRVGNECNZFXVPU-UHFFFAOYSA-N -1 0 336.185 3.768 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2ccc(F)c(C(F)(F)F)c2)CCCC1 ZINC000392508811 972492689 /nfs/dbraw/zinc/49/26/89/972492689.db2.gz UJTJNPWGYKZHBU-UHFFFAOYSA-N -1 0 348.296 3.754 20 0 EHADRM COc1cccc(C[C@H](C)CC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC001574231774 960408311 /nfs/dbraw/zinc/40/83/11/960408311.db2.gz AOCYYIQABGMYEL-WMLDXEAASA-N -1 0 349.471 3.660 20 0 EHADRM C[C@@H]1CCc2c(sc3ncnc(N4CCC[C@H](CC(=O)[O-])C4)c32)C1 ZINC001573738682 960472293 /nfs/dbraw/zinc/47/22/93/960472293.db2.gz JMDSECHPIDQNMI-VXGBXAGGSA-N -1 0 345.468 3.507 20 0 EHADRM CSc1ccc([C@H](C)NC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC001574257992 960552519 /nfs/dbraw/zinc/55/25/19/960552519.db2.gz RNKZZQWTXLKEGY-RUYJGKKWSA-N -1 0 331.393 3.590 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)C1(c2c(Cl)cccc2Cl)CCC1 ZINC001573759727 960602726 /nfs/dbraw/zinc/60/27/26/960602726.db2.gz SLZMZSVIJASTCO-LBPRGKRZSA-N -1 0 344.238 3.737 20 0 EHADRM Cc1ccc(CC2CCN(C(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)CC2)cc1 ZINC001255838723 960656895 /nfs/dbraw/zinc/65/68/95/960656895.db2.gz FENHTBINHRCEBW-MOPGFXCFSA-N -1 0 343.467 3.667 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001573776805 960697241 /nfs/dbraw/zinc/69/72/41/960697241.db2.gz RKMLFRPSDGJMJI-XEHSLEBBSA-N -1 0 340.379 3.609 20 0 EHADRM Cc1ccccc1CC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000236626458 960719954 /nfs/dbraw/zinc/71/99/54/960719954.db2.gz MJJAISDZTOELCF-UHFFFAOYSA-N -1 0 327.380 3.662 20 0 EHADRM CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000236639515 960721969 /nfs/dbraw/zinc/72/19/69/960721969.db2.gz LAJSNORGNGZNGW-UHFFFAOYSA-N -1 0 340.379 3.622 20 0 EHADRM CCC(CC)(CNC(=O)NCC1(c2ccc(C)cc2C)CC1)C(=O)[O-] ZINC001573783913 960724539 /nfs/dbraw/zinc/72/45/39/960724539.db2.gz PCHDZAUHXOWEFR-UHFFFAOYSA-N -1 0 346.471 3.525 20 0 EHADRM Cc1cccc(C[C@H](CNC(=O)C2(CC(C)C)CCC2)C(=O)[O-])c1 ZINC000236664774 960727005 /nfs/dbraw/zinc/72/70/05/960727005.db2.gz IIYHCCHLCSXRJP-QGZVFWFLSA-N -1 0 331.456 3.571 20 0 EHADRM CCCCOc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000236675242 960729779 /nfs/dbraw/zinc/72/97/79/960729779.db2.gz HYXZABKTYQGJLT-UHFFFAOYSA-N -1 0 331.343 3.955 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC001573785300 960732095 /nfs/dbraw/zinc/73/20/95/960732095.db2.gz QETIDKMUUYJTNX-DLBZAZTESA-N -1 0 325.408 3.703 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)c1ccc(-c2ccccc2)cc1 ZINC000236754486 960750578 /nfs/dbraw/zinc/75/05/78/960750578.db2.gz VNQWXARPDKJFNY-UHFFFAOYSA-N -1 0 325.408 3.927 20 0 EHADRM CCC(CC)(CNC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(=O)[O-] ZINC000236825321 960765650 /nfs/dbraw/zinc/76/56/50/960765650.db2.gz BHEISBPMJBDLEF-UHFFFAOYSA-N -1 0 341.835 3.505 20 0 EHADRM CCC[C@](C)(NC(=O)c1ccc(OCc2ccccc2)cc1)C(=O)[O-] ZINC000236841916 960772230 /nfs/dbraw/zinc/77/22/30/960772230.db2.gz PJHKSSIEIURINH-FQEVSTJZSA-N -1 0 341.407 3.639 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000236907178 960796533 /nfs/dbraw/zinc/79/65/33/960796533.db2.gz LHFAQUWJJOAJJR-RYUDHWBXSA-N -1 0 345.361 3.596 20 0 EHADRM CCC[C@@](C)(NC(=O)[C@H](C)Sc1ccccc1Cl)C(=O)[O-] ZINC000236966167 960816700 /nfs/dbraw/zinc/81/67/00/960816700.db2.gz FTHLDMMTPIWISP-ZUZCIYMTSA-N -1 0 329.849 3.580 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])Cc1csc(CCc2ccccc2)n1 ZINC000236965440 960817183 /nfs/dbraw/zinc/81/71/83/960817183.db2.gz IDBZDGIXBXFGRU-AWEZNQCLSA-N -1 0 332.469 3.613 20 0 EHADRM Cc1cc(NC(=O)N2CC(C)(C)[C@@H]2c2cccnc2)ccc1C(=O)[O-] ZINC001574337878 960913691 /nfs/dbraw/zinc/91/36/91/960913691.db2.gz NMQVSSUSSOZQSK-INIZCTEOSA-N -1 0 339.395 3.703 20 0 EHADRM CSCc1cc(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)ccc1F ZINC000237383962 960922882 /nfs/dbraw/zinc/92/28/82/960922882.db2.gz SLAMIKAUMUDJJA-UHFFFAOYSA-N -1 0 333.384 3.948 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)CCCc2ccccc2)cc1 ZINC001319219004 960926141 /nfs/dbraw/zinc/92/61/41/960926141.db2.gz RRHRKCMDJCSYLW-SFHVURJKSA-N -1 0 325.408 3.650 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)c1cc2c(s1)CCC2)C(=O)[O-] ZINC000237409284 960929116 /nfs/dbraw/zinc/92/91/16/960929116.db2.gz BTSXQRAMKBSPEH-CYBMUJFWSA-N -1 0 343.448 3.600 20 0 EHADRM Cc1cc(C(=O)N(C)C[C@H](C)C(=O)[O-])c(C)n1-c1cccc(Cl)c1 ZINC000237409232 960930278 /nfs/dbraw/zinc/93/02/78/960930278.db2.gz CVACDVGMWHHAJO-NSHDSACASA-N -1 0 348.830 3.540 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1ccc(C(=O)[O-])s1 ZINC000237418508 960931684 /nfs/dbraw/zinc/93/16/84/960931684.db2.gz UHBMEOIKITYARG-LBPRGKRZSA-N -1 0 331.437 3.933 20 0 EHADRM C[C@@H](CC(=O)NCCCCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000237420901 960932114 /nfs/dbraw/zinc/93/21/14/960932114.db2.gz LIBJQCWSIAFNHL-NSHDSACASA-N -1 0 331.334 3.570 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(C(=O)[O-])nc1)C1CC1 ZINC000237435405 960933840 /nfs/dbraw/zinc/93/38/40/960933840.db2.gz IIDXLFYHWRMNQH-LLVKDONJSA-N -1 0 344.798 3.799 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1cccc2ncccc21)C(=O)[O-] ZINC000237490957 960945813 /nfs/dbraw/zinc/94/58/13/960945813.db2.gz SOOAQCWYUYTVAC-HNNXBMFYSA-N -1 0 348.402 3.598 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000237490235 960946314 /nfs/dbraw/zinc/94/63/14/960946314.db2.gz QFHUAVIYOZGCQO-LBPRGKRZSA-N -1 0 349.789 3.842 20 0 EHADRM C[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000237512755 960950757 /nfs/dbraw/zinc/95/07/57/960950757.db2.gz XWZNCWCLZVYQBB-SNVBAGLBSA-N -1 0 331.334 3.774 20 0 EHADRM Cc1ccccc1OCC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000237547765 960958947 /nfs/dbraw/zinc/95/89/47/960958947.db2.gz KZFSEOKOHCLDPP-UHFFFAOYSA-N -1 0 341.388 3.925 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2cnn(C3CCCCC3)c2)cc1 ZINC001319845722 960959381 /nfs/dbraw/zinc/95/93/81/960959381.db2.gz KNDBGDPKLPCZHP-UHFFFAOYSA-N -1 0 341.411 3.658 20 0 EHADRM Cc1cccc(CCNC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])c1 ZINC000237556343 960961006 /nfs/dbraw/zinc/96/10/06/960961006.db2.gz AMZXWVVGHXWNMP-AWEZNQCLSA-N -1 0 343.448 3.533 20 0 EHADRM Cc1cccc(C2(C(=O)NCCCCCC(=O)[O-])CCCCC2)c1 ZINC000237620315 960977079 /nfs/dbraw/zinc/97/70/79/960977079.db2.gz NWAJMIXJKQRQHP-UHFFFAOYSA-N -1 0 331.456 3.958 20 0 EHADRM CC[C@H]1CCCC[C@H]1CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001573829535 961000540 /nfs/dbraw/zinc/00/05/40/961000540.db2.gz ABIHVHKJNGLKIV-JYJNAYRXSA-N -1 0 326.481 3.639 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)cc1C(=O)[O-] ZINC000237705116 961001432 /nfs/dbraw/zinc/00/14/32/961001432.db2.gz NBWOOJCIXDWYKX-HIFRSBDPSA-N -1 0 331.318 3.714 20 0 EHADRM Cc1ccc(SCCC(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000237769267 961020041 /nfs/dbraw/zinc/02/00/41/961020041.db2.gz QOZDXTYVHDZMDW-AWEZNQCLSA-N -1 0 349.477 3.871 20 0 EHADRM CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001324184290 961027550 /nfs/dbraw/zinc/02/75/50/961027550.db2.gz OZZVYVFVBNTXCY-HNNXBMFYSA-N -1 0 331.343 3.628 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N2C[C@@H]3CCCC[C@]32c2ccccc2)c1 ZINC001324667040 961043266 /nfs/dbraw/zinc/04/32/66/961043266.db2.gz YYMWXYKSEAXVEO-UGKGYDQZSA-N -1 0 349.430 3.855 20 0 EHADRM Cc1ccc(CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])c(O[C@H](C)CC(C)C)c1 ZINC001574367755 961050028 /nfs/dbraw/zinc/05/00/28/961050028.db2.gz LMPWAZWQUUYZON-HYVNUMGLSA-N -1 0 347.455 3.535 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)s1 ZINC000238031406 961082531 /nfs/dbraw/zinc/08/25/31/961082531.db2.gz OTHWEKZUQJRVBI-SNVBAGLBSA-N -1 0 337.397 3.552 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)cc1 ZINC000238088839 961094423 /nfs/dbraw/zinc/09/44/23/961094423.db2.gz VGQMOEVXDKWOSB-DLBZAZTESA-N -1 0 343.810 3.501 20 0 EHADRM Cc1ccc2c(CCNC(=O)Nc3ccccc3C(=O)[O-])c[nH]c2c1 ZINC001574381875 961108072 /nfs/dbraw/zinc/10/80/72/961108072.db2.gz IBZHFCHDYIZEDP-UHFFFAOYSA-N -1 0 337.379 3.539 20 0 EHADRM O=C([O-])c1cccc(CN2CCO[C@H](c3ccc(Cl)s3)C2)c1 ZINC001326750135 961122687 /nfs/dbraw/zinc/12/26/87/961122687.db2.gz HBGIWACUBYZWAV-ZDUSSCGKSA-N -1 0 337.828 3.673 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2cnc(-c3ccccc3)s2)c1 ZINC000238161995 961136619 /nfs/dbraw/zinc/13/66/19/961136619.db2.gz XYXNAQFDPGLHBE-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cc2csc(-c3cccs3)n2)cc1 ZINC000238172020 961141877 /nfs/dbraw/zinc/14/18/77/961141877.db2.gz BERYFNMUSIXTMQ-UHFFFAOYSA-N -1 0 344.417 3.751 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cn2ccc3ccccc32)cc1Cl ZINC000238172378 961145184 /nfs/dbraw/zinc/14/51/84/961145184.db2.gz UIGBPZCGQCHYGV-UHFFFAOYSA-N -1 0 328.755 3.632 20 0 EHADRM O=C([O-])[C@@H](c1ccccc1Cl)N1CCO[C@@H](c2ccccc2)C1 ZINC001327323634 961154046 /nfs/dbraw/zinc/15/40/46/961154046.db2.gz OMVMGGZHMFTKCM-IAGOWNOFSA-N -1 0 331.799 3.539 20 0 EHADRM Cc1cccc([C@H](NC(=O)CSc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC001574389340 961157585 /nfs/dbraw/zinc/15/75/85/961157585.db2.gz NOMGMCSZAXPGCK-INIZCTEOSA-N -1 0 349.839 3.683 20 0 EHADRM Cc1cccc([C@@H](NC(=O)Cc2ccc(CC(C)C)cc2)C(=O)[O-])c1 ZINC001574389698 961163557 /nfs/dbraw/zinc/16/35/57/961163557.db2.gz QDOGBDBIANQKLB-HXUWFJFHSA-N -1 0 339.435 3.678 20 0 EHADRM Cc1cccc(C2(CNC(=O)[C@@H](C(=O)[O-])C(C)(C)C)CCCC2)c1 ZINC001574394994 961204736 /nfs/dbraw/zinc/20/47/36/961204736.db2.gz MJNNBOVGZNJZHN-INIZCTEOSA-N -1 0 331.456 3.670 20 0 EHADRM Cc1cccc([C@H](NCc2cc3cc(Cl)cnc3o2)C(=O)[O-])c1 ZINC001574395200 961208008 /nfs/dbraw/zinc/20/80/08/961208008.db2.gz WEZAIBWARWIGSE-HNNXBMFYSA-N -1 0 330.771 3.705 20 0 EHADRM C[C@H]1[C@@H](C(=O)[O-])CCN1c1nc(-c2ccccc2)nc2ccccc21 ZINC001328607199 961218468 /nfs/dbraw/zinc/21/84/68/961218468.db2.gz WKSFPJBZGCKPGE-ZFWWWQNUSA-N -1 0 333.391 3.596 20 0 EHADRM CCN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC001573873793 961225289 /nfs/dbraw/zinc/22/52/89/961225289.db2.gz CMVLIKDXHTWUHR-JZXOWHBKSA-N -1 0 349.446 3.742 20 0 EHADRM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001574401855 961237059 /nfs/dbraw/zinc/23/70/59/961237059.db2.gz FMHBODPJASWPEJ-OWCLPIDISA-N -1 0 329.440 3.689 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)/C=C\c1cccs1 ZINC000254997746 961321801 /nfs/dbraw/zinc/32/18/01/961321801.db2.gz AHBCRSIQNXDALT-VURMDHGXSA-N -1 0 331.393 3.885 20 0 EHADRM Cc1c(C(=O)N2CCC[C@](C)(C(=O)[O-])C2)sc2cccc(F)c12 ZINC000261674122 961387395 /nfs/dbraw/zinc/38/73/95/961387395.db2.gz HKTKCORHXLWPGS-KRWDZBQOSA-N -1 0 335.400 3.676 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CC=C(c2cccc3ccccc32)CC1 ZINC000261998673 961405275 /nfs/dbraw/zinc/40/52/75/961405275.db2.gz DITGADOVVWFQSM-RBUKOAKNSA-N -1 0 335.403 3.566 20 0 EHADRM Cc1ccccc1Oc1ccccc1CNC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC000262008080 961405461 /nfs/dbraw/zinc/40/54/61/961405461.db2.gz FEDVZJQXULLSSX-JKSUJKDBSA-N -1 0 339.391 3.514 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000262013764 961406628 /nfs/dbraw/zinc/40/66/28/961406628.db2.gz VETISEWMYGEJGM-UHFFFAOYSA-N -1 0 345.420 3.682 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)NC1CCC(c2ccccc2)CC1 ZINC000262128057 961482970 /nfs/dbraw/zinc/48/29/70/961482970.db2.gz CSUXJCOTZLVACG-UHFFFAOYSA-N -1 0 337.419 3.770 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N2CCC[C@H]2CCc2ccccc2)c1 ZINC000262147476 961500177 /nfs/dbraw/zinc/50/01/77/961500177.db2.gz JFGMIHZIMRNYRP-IBGZPJMESA-N -1 0 337.419 3.551 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1nc2c(cccc2C(F)(F)F)s1 ZINC001588809392 961512885 /nfs/dbraw/zinc/51/28/85/961512885.db2.gz OVRJOMNUQYDLJK-VIFPVBQESA-N -1 0 346.330 3.610 20 0 EHADRM C[C@H](CC(=O)N[C@H](CC1CC1)C(=O)[O-])c1ccccc1C(F)(F)F ZINC000262186314 961532759 /nfs/dbraw/zinc/53/27/59/961532759.db2.gz HGMJYHDJWQZETL-QMTHXVAHSA-N -1 0 343.345 3.569 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2sccc2C(F)F)cc1 ZINC001332327117 961550109 /nfs/dbraw/zinc/55/01/09/961550109.db2.gz SDDWOPXNOJWJLH-LBPRGKRZSA-N -1 0 339.363 3.940 20 0 EHADRM CCSc1ccc([C@@H](C)NC(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC000262242937 961585258 /nfs/dbraw/zinc/58/52/58/961585258.db2.gz UQDDTTRTDLBFMH-CYBMUJFWSA-N -1 0 343.448 3.917 20 0 EHADRM O=C([O-])CC1CCN(C(=O)c2cccc(Oc3ccccc3)c2)CC1 ZINC000262243092 961587694 /nfs/dbraw/zinc/58/76/94/961587694.db2.gz ANNSIUIFJASVPO-UHFFFAOYSA-N -1 0 339.391 3.806 20 0 EHADRM Cc1ccc(CCCC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000262288469 961623102 /nfs/dbraw/zinc/62/31/02/961623102.db2.gz GLNMQQUZKRNPTR-GOSISDBHSA-N -1 0 343.398 3.789 20 0 EHADRM CCC[C@@H](C(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000262302557 961632701 /nfs/dbraw/zinc/63/27/01/961632701.db2.gz LHGKNZQMHVTYRL-QGZVFWFLSA-N -1 0 327.380 3.672 20 0 EHADRM CC(C)[C@@H](CNC(=O)NCC(C)(C)CCCc1ccccc1)C(=O)[O-] ZINC001588824741 961657801 /nfs/dbraw/zinc/65/78/01/961657801.db2.gz BRWWICUOCYQGNJ-QGZVFWFLSA-N -1 0 348.487 3.692 20 0 EHADRM CCc1cc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)sc1-c1ccccc1 ZINC001573953963 961658636 /nfs/dbraw/zinc/65/86/36/961658636.db2.gz XCGYAADLVLKDRY-OKILXGFUSA-N -1 0 329.421 3.571 20 0 EHADRM CCc1ccc2nc(NC(=O)[C@@]3(C(=O)[O-])CC=CCC3)sc2c1 ZINC001573961056 961685396 /nfs/dbraw/zinc/68/53/96/961685396.db2.gz ROUIVLWPNYVWPQ-QGZVFWFLSA-N -1 0 330.409 3.608 20 0 EHADRM CC(C)[C@H](CNC(=O)c1ccccc1NC1CCCCC1)C(=O)[O-] ZINC001588830215 961701680 /nfs/dbraw/zinc/70/16/80/961701680.db2.gz QWFJYOJXOLWJLI-INIZCTEOSA-N -1 0 332.444 3.518 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000262427183 961713254 /nfs/dbraw/zinc/71/32/54/961713254.db2.gz RUXRKLKLUWDGDA-KRWDZBQOSA-N -1 0 333.428 3.770 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)Oc1ccccc1 ZINC000262427733 961713462 /nfs/dbraw/zinc/71/34/62/961713462.db2.gz RIBDFJLIBRDOJU-ZDUSSCGKSA-N -1 0 343.379 3.578 20 0 EHADRM CC(C)[C@@H](CNc1cc(SCc2ccccc2)ncn1)C(=O)[O-] ZINC001588831252 961725335 /nfs/dbraw/zinc/72/53/35/961725335.db2.gz OEKOPDWCNZTHEN-CQSZACIVSA-N -1 0 331.441 3.538 20 0 EHADRM COCc1cccc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)c1 ZINC000262454400 961730205 /nfs/dbraw/zinc/73/02/05/961730205.db2.gz WYOUWWAJIASREY-UHFFFAOYSA-N -1 0 343.379 3.571 20 0 EHADRM CC(C)(C)c1ccc(CCC(=O)N2CCC(CC(=O)[O-])CC2)cc1 ZINC000262456164 961732258 /nfs/dbraw/zinc/73/22/58/961732258.db2.gz QDBVDZGWJOSKGQ-UHFFFAOYSA-N -1 0 331.456 3.630 20 0 EHADRM Cc1oc(CN(C)C(=O)c2csc3c2CC[C@@H](C)C3)cc1C(=O)[O-] ZINC000262527825 961762288 /nfs/dbraw/zinc/76/22/88/961762288.db2.gz RYKOOYGUTUJVAD-SNVBAGLBSA-N -1 0 347.436 3.745 20 0 EHADRM CN(C(=O)[C@@H]1CC[C@H]1C(=O)[O-])[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC001573980008 961763512 /nfs/dbraw/zinc/76/35/12/961763512.db2.gz SYPJUZWSPCOWJZ-UTUOFQBUSA-N -1 0 349.736 3.513 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)c1 ZINC000262568361 961774669 /nfs/dbraw/zinc/77/46/69/961774669.db2.gz YKEWKKRJWUSNNB-GHTZIAJQSA-N -1 0 335.403 3.546 20 0 EHADRM Cn1c2ccccc2c(Cl)c1C(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000262704271 961815358 /nfs/dbraw/zinc/81/53/58/961815358.db2.gz BHNYJAWDBAVYMV-KZULUSFZSA-N -1 0 348.830 3.595 20 0 EHADRM Cc1ccc([C@H]2CCCCN2C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC000262717520 961822776 /nfs/dbraw/zinc/82/27/76/961822776.db2.gz OBCZULOJQNIZBL-KZNAEPCWSA-N -1 0 329.440 3.940 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000262718405 961823009 /nfs/dbraw/zinc/82/30/09/961823009.db2.gz ONJKPYPEWRYRJV-BRSBDYLESA-N -1 0 329.440 3.720 20 0 EHADRM O=C([O-])C1(NC(=O)CCSc2cccc(Cl)c2)CCCCC1 ZINC001574521137 961853374 /nfs/dbraw/zinc/85/33/74/961853374.db2.gz BEIZDOITTPWKOE-UHFFFAOYSA-N -1 0 341.860 3.726 20 0 EHADRM C[C@H](CC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-])c1ccc(F)cc1F ZINC000262760734 961855140 /nfs/dbraw/zinc/85/51/40/961855140.db2.gz KLDFSVAPLZXWTB-YRILPIOLSA-N -1 0 339.382 3.608 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3CC[C@@H](Cc4ccccc4)C3)(CC1)CC2 ZINC001334961555 961860789 /nfs/dbraw/zinc/86/07/89/961860789.db2.gz DRUOJHLJIQKJGN-RPCJCACASA-N -1 0 341.451 3.503 20 0 EHADRM CC(C)C[C@H](CNC(=O)C[C@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)[O-] ZINC001588848547 961913415 /nfs/dbraw/zinc/91/34/15/961913415.db2.gz URGUYDKCFXOBKL-YNEHKIRRSA-N -1 0 337.382 3.608 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000262857432 961921392 /nfs/dbraw/zinc/92/13/92/961921392.db2.gz IJUJRSKUWMTNAS-ZDUSSCGKSA-N -1 0 341.329 3.580 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N1CC[C@@H](c2ccccc2)C1(C)C)C(=O)[O-] ZINC001588850618 961924042 /nfs/dbraw/zinc/92/40/42/961924042.db2.gz VJVYXOAXCQMUGN-IRXDYDNUSA-N -1 0 346.471 3.711 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCc2ccccc2[C@@H]1C(C)C)C(=O)[O-] ZINC001588852511 961944383 /nfs/dbraw/zinc/94/43/83/961944383.db2.gz OOFMWPJNJRBHPA-AEFFLSMTSA-N -1 0 346.471 3.698 20 0 EHADRM CCC[C@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000262885453 961959893 /nfs/dbraw/zinc/95/98/93/961959893.db2.gz BMVDAXXYCAYPAC-KRWDZBQOSA-N -1 0 326.396 3.725 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCC(F)(F)F)c1cccc2ccccc21 ZINC000262902899 961979908 /nfs/dbraw/zinc/97/99/08/961979908.db2.gz DBBNNSWJUWJOSP-CQSZACIVSA-N -1 0 339.313 3.814 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)CCCC1 ZINC000262902796 961980313 /nfs/dbraw/zinc/98/03/13/961980313.db2.gz MKNUMVTUTRRKDE-ZWKOTPCHSA-N -1 0 337.419 3.847 20 0 EHADRM Cc1cccc2c1C(=O)N[C@@H](c1ccc(-c3ccc(C(=O)[O-])cc3)o1)N2 ZINC001337554883 961982392 /nfs/dbraw/zinc/98/23/92/961982392.db2.gz NARKNEDVEPHVBZ-SFHVURJKSA-N -1 0 348.358 3.807 20 0 EHADRM O=C([O-])c1ccccc1-c1ccccc1C(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000262904463 961984064 /nfs/dbraw/zinc/98/40/64/961984064.db2.gz IZFGQILBJLBMCM-GASCZTMLSA-N -1 0 335.403 3.924 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)CCCc1ccccc1 ZINC000262932109 962015998 /nfs/dbraw/zinc/01/59/98/962015998.db2.gz LJDBXSSZBBHNFW-CQSZACIVSA-N -1 0 341.407 3.991 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)CCCC1 ZINC000262943623 962029698 /nfs/dbraw/zinc/02/96/98/962029698.db2.gz QCCIYNYMWIVSEA-ROUUACIJSA-N -1 0 337.419 3.847 20 0 EHADRM Cc1cccc2nc(C3CCN(c4cccc(C(=O)[O-])n4)CC3)oc21 ZINC000262965804 962051753 /nfs/dbraw/zinc/05/17/53/962051753.db2.gz AOPQMYBTHYICOQ-UHFFFAOYSA-N -1 0 337.379 3.613 20 0 EHADRM O=C([O-])C1CCN(C(=O)N[C@@H]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC001340568519 962104577 /nfs/dbraw/zinc/10/45/77/962104577.db2.gz CWCNOWJLMZUTPL-SJLPKXTDSA-N -1 0 344.455 3.609 20 0 EHADRM O=C([O-])C1CCN(C(=O)N[C@H]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC001340568516 962105603 /nfs/dbraw/zinc/10/56/03/962105603.db2.gz CWCNOWJLMZUTPL-AEFFLSMTSA-N -1 0 344.455 3.609 20 0 EHADRM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1coc2ccc(Cl)cc12 ZINC001574587572 962114550 /nfs/dbraw/zinc/11/45/50/962114550.db2.gz HIWIIQZBILWIRH-OAHLLOKOSA-N -1 0 343.766 3.512 20 0 EHADRM COC(=O)[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccc2ccccc2c1 ZINC001574046739 962118646 /nfs/dbraw/zinc/11/86/46/962118646.db2.gz MGDHXQDVUMSUQG-LJQANCHMSA-N -1 0 349.386 3.542 20 0 EHADRM CC(C)C[C@@H](NC(=O)Nc1ccccc1OC1CCCC1)C(=O)[O-] ZINC001588884169 962163395 /nfs/dbraw/zinc/16/33/95/962163395.db2.gz CBKDDDXQDKADTC-OAHLLOKOSA-N -1 0 334.416 3.629 20 0 EHADRM CC(C)C[C@@H](NC(=O)Nc1ccc(F)cc1OC(C)(C)C)C(=O)[O-] ZINC001588884151 962164110 /nfs/dbraw/zinc/16/41/10/962164110.db2.gz BEQJRLPXWJBULL-CYBMUJFWSA-N -1 0 340.395 3.624 20 0 EHADRM CC(C)C[C@@H](NC(=O)Nc1cccc2c(Cl)nccc12)C(=O)[O-] ZINC001588884177 962165256 /nfs/dbraw/zinc/16/52/56/962165256.db2.gz CYHZSCPQQBDUSF-CYBMUJFWSA-N -1 0 335.791 3.509 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cccc(SC(F)(F)F)c2)C1 ZINC001574602158 962169619 /nfs/dbraw/zinc/16/96/19/962169619.db2.gz VDMQCFOWMNLDOZ-DTWKUNHWSA-N -1 0 333.331 3.738 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1)C(=O)[O-] ZINC001588886668 962178234 /nfs/dbraw/zinc/17/82/34/962178234.db2.gz UJESASGGFFLMSW-MRXNPFEDSA-N -1 0 330.428 3.695 20 0 EHADRM CC(C)[C@@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000263055020 962188466 /nfs/dbraw/zinc/18/84/66/962188466.db2.gz RMWGPULHYRQFTG-QGZVFWFLSA-N -1 0 326.396 3.581 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2ccc(C(C)(C)C)cn2)cc1 ZINC000263076806 962219682 /nfs/dbraw/zinc/21/96/82/962219682.db2.gz AYSKLLNHODNYNV-LBPRGKRZSA-N -1 0 326.396 3.820 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)C2(Cc3ccccc3Cl)CC2)s1 ZINC000263079649 962223424 /nfs/dbraw/zinc/22/34/24/962223424.db2.gz BDHDQZPDFZYXKN-UHFFFAOYSA-N -1 0 349.839 3.739 20 0 EHADRM Cc1cc(C)cc(C2(C(=O)Nc3ccc(CC(=O)[O-])c(F)c3)CC2)c1 ZINC000263088844 962236732 /nfs/dbraw/zinc/23/67/32/962236732.db2.gz BZSZGBCUKYZGRX-UHFFFAOYSA-N -1 0 341.382 3.740 20 0 EHADRM O=C([O-])C1(C(=O)N2C[C@@H](c3ccccc3)c3ccccc32)CC=CC1 ZINC001574625842 962275540 /nfs/dbraw/zinc/27/55/40/962275540.db2.gz YLQWJHJEQYWQFM-KRWDZBQOSA-N -1 0 333.387 3.586 20 0 EHADRM CC(C)Cn1ccc2c1cccc2C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001588911613 962318593 /nfs/dbraw/zinc/31/85/93/962318593.db2.gz IKHNNFFQUDMONR-HNNXBMFYSA-N -1 0 342.439 3.624 20 0 EHADRM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000263188758 962344470 /nfs/dbraw/zinc/34/44/70/962344470.db2.gz IGBYBXCVMKHWMS-QWRGUYRKSA-N -1 0 330.384 3.612 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)N2CCC(C3CCC3)CC2)c2ccccc21 ZINC001574649166 962411895 /nfs/dbraw/zinc/41/18/95/962411895.db2.gz ITYUHJZWZFXSEJ-QZTJIDSGSA-N -1 0 342.439 3.521 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC000263286591 962424268 /nfs/dbraw/zinc/42/42/68/962424268.db2.gz ZKUJDHDTWJBYMM-DOMZBBRYSA-N -1 0 337.375 3.830 20 0 EHADRM CCc1c(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)[nH]c(C)c1C(C)=O ZINC000263290745 962429903 /nfs/dbraw/zinc/42/99/03/962429903.db2.gz MBSNPLLNZBEGOV-JTQLQIEISA-N -1 0 342.395 3.529 20 0 EHADRM CO[C@@H](C(=O)[O-])C(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1 ZINC001574106683 962448567 /nfs/dbraw/zinc/44/85/67/962448567.db2.gz XKBORJOBOBAONF-MLGOLLRUSA-N -1 0 345.420 3.578 20 0 EHADRM COc1ccc(C(C)(C)C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)cc1 ZINC000263341653 962492648 /nfs/dbraw/zinc/49/26/48/962492648.db2.gz SEVHSXVWOXKGBA-CYBMUJFWSA-N -1 0 341.407 3.800 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccccc2COc2ccccc2)C1 ZINC000263355916 962512352 /nfs/dbraw/zinc/51/23/52/962512352.db2.gz WZAZDPWMSQCFDR-LSDHHAIUSA-N -1 0 339.391 3.705 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)c1 ZINC000263359080 962515315 /nfs/dbraw/zinc/51/53/15/962515315.db2.gz XVKBDUYLXWCYFA-LEWSCRJBSA-N -1 0 345.345 3.895 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)Oc2cccc(C(F)(F)F)c2)co1 ZINC001574666805 962522256 /nfs/dbraw/zinc/52/22/56/962522256.db2.gz HFFRAFPCUNXRDA-SNAWJCMRSA-N -1 0 326.226 3.615 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000263364945 962524059 /nfs/dbraw/zinc/52/40/59/962524059.db2.gz ZMOKDCCYEUOISI-SUMWQHHRSA-N -1 0 333.428 3.941 20 0 EHADRM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000263366889 962525590 /nfs/dbraw/zinc/52/55/90/962525590.db2.gz WKLWLRZHUBUGAX-SCLBCKFNSA-N -1 0 341.382 3.676 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)Nc2ccc(OC3CCC3)c(F)c2)co1 ZINC001574668185 962531266 /nfs/dbraw/zinc/53/12/66/962531266.db2.gz WWBWPDIDBFAYGJ-FNORWQNLSA-N -1 0 345.326 3.700 20 0 EHADRM C[C@H](Oc1ccc(C(=O)N2CCC[C@@H]2C(=O)[O-])cc1)c1ccccc1 ZINC000263391795 962552579 /nfs/dbraw/zinc/55/25/79/962552579.db2.gz DUJCUDUKISMBTP-KBXCAEBGSA-N -1 0 339.391 3.516 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CCC[C@@H]1c1cccc(C)c1 ZINC000263428995 962602942 /nfs/dbraw/zinc/60/29/42/962602942.db2.gz MUNSYNZSIKCMHG-OAHLLOKOSA-N -1 0 327.380 3.501 20 0 EHADRM O=C([O-])CCCNC(=O)N[C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000263435270 962613306 /nfs/dbraw/zinc/61/33/06/962613306.db2.gz ZSIINOXWYUWKBO-UKRRQHHQSA-N -1 0 338.835 3.530 20 0 EHADRM Cc1ccc([C@H]2C[C@H](C)N(C(=O)NC3CCC(C(=O)[O-])CC3)C2)cc1 ZINC000263438210 962615867 /nfs/dbraw/zinc/61/58/67/962615867.db2.gz CWSYRKKHEHWESV-VNCIIQTRSA-N -1 0 344.455 3.526 20 0 EHADRM CC(C)c1cc(NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)nc(C(C)C)n1 ZINC001588962651 962625762 /nfs/dbraw/zinc/62/57/62/962625762.db2.gz HXHWNKNXRXVJBP-SHYRYGCCSA-N -1 0 347.459 3.548 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@H](CCC(=O)[O-])C1)C(C)(C)c1ccccc1 ZINC001352986937 962643344 /nfs/dbraw/zinc/64/33/44/962643344.db2.gz DDTKQYWTNFOPQR-JKSUJKDBSA-N -1 0 346.471 3.639 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CCC[C@H](c2ccccc2)CC1 ZINC000263460169 962649123 /nfs/dbraw/zinc/64/91/23/962649123.db2.gz VLFWCWQKTVVONF-INIZCTEOSA-N -1 0 341.407 3.625 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)Nc1cncc(C(=O)[O-])c1)CC2 ZINC001588968101 962655805 /nfs/dbraw/zinc/65/58/05/962655805.db2.gz BKUCGXSXDVALMI-QGZVFWFLSA-N -1 0 339.395 3.712 20 0 EHADRM CC(C)c1ccc2c(c1)CCN(C(=O)[C@@]1(C(=O)[O-])CC=CCC1)C2 ZINC001588968526 962657348 /nfs/dbraw/zinc/65/73/48/962657348.db2.gz KOTCIUBWXSWWSA-HXUWFJFHSA-N -1 0 327.424 3.506 20 0 EHADRM Cc1ccccc1NC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263480775 962667071 /nfs/dbraw/zinc/66/70/71/962667071.db2.gz KVDSQFKHYXFLFV-INIZCTEOSA-N -1 0 326.396 3.593 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N3C[C@@H](C(=O)[O-])CC[C@H]3C)[nH]c2c1 ZINC001588969941 962669184 /nfs/dbraw/zinc/66/91/84/962669184.db2.gz WBVSZFXDQYPOJS-DOMZBBRYSA-N -1 0 328.412 3.617 20 0 EHADRM Cc1cccc(NC(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000263490949 962676485 /nfs/dbraw/zinc/67/64/85/962676485.db2.gz OSSXVPZVSMBXLY-KRWDZBQOSA-N -1 0 326.396 3.593 20 0 EHADRM CC(C)c1scnc1C(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC001588980773 962716323 /nfs/dbraw/zinc/71/63/23/962716323.db2.gz FKQDUQPRMNANRB-UHFFFAOYSA-N -1 0 330.409 3.558 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000263550570 962724105 /nfs/dbraw/zinc/72/41/05/962724105.db2.gz WEDBGUXTDGRRRH-XJKSGUPXSA-N -1 0 345.826 3.503 20 0 EHADRM O=C([O-])COc1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC001574737796 962862780 /nfs/dbraw/zinc/86/27/80/962862780.db2.gz XVDHFGFXZBGWQA-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM Cc1ccc(CNC(=O)NC2CCC(C(=O)[O-])CC2)c2ccccc12 ZINC001521217205 962865160 /nfs/dbraw/zinc/86/51/60/962865160.db2.gz NYLJYIIRYYAUTP-UHFFFAOYSA-N -1 0 340.423 3.591 20 0 EHADRM Cc1ccc(Cl)cc1CNC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001526705652 962875373 /nfs/dbraw/zinc/87/53/73/962875373.db2.gz VILMSIBVWQHKGD-UHFFFAOYSA-N -1 0 338.190 3.930 20 0 EHADRM CCCn1c(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)cc2ccccc21 ZINC001549913521 962986665 /nfs/dbraw/zinc/98/66/65/962986665.db2.gz VIKOVGWVGGGQFJ-XLIONFOSSA-N -1 0 340.423 3.521 20 0 EHADRM CC(C)(CNC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)C1=CCCC1 ZINC000308760353 963300694 /nfs/dbraw/zinc/30/06/94/963300694.db2.gz FYIWIEJEQYBJJV-KRWDZBQOSA-N -1 0 342.439 3.517 20 0 EHADRM Cc1cc(NCc2ncc(C(=O)[O-])s2)cc(C)c1Br ZINC000312000076 963527575 /nfs/dbraw/zinc/52/75/75/963527575.db2.gz UJRQYODMHXQGLH-UHFFFAOYSA-N -1 0 341.230 3.833 20 0 EHADRM O=C([O-])c1cc(Br)ccc1NC(=O)[C@@H]1CCC(F)(F)C1 ZINC000312133191 963538276 /nfs/dbraw/zinc/53/82/76/963538276.db2.gz UFIAFQGVPVHVKX-SSDOTTSWSA-N -1 0 348.143 3.521 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000314232783 963729829 /nfs/dbraw/zinc/72/98/29/963729829.db2.gz GVERHTDFHMCDMQ-UHFFFAOYSA-N -1 0 329.299 3.646 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)cc1 ZINC000314329892 963741879 /nfs/dbraw/zinc/74/18/79/963741879.db2.gz READSRIOKDBLNG-UHFFFAOYSA-N -1 0 338.190 3.664 20 0 EHADRM C[C@H](NCc1ccc(Br)s1)c1ncc(C(=O)[O-])s1 ZINC000314686023 963790762 /nfs/dbraw/zinc/79/07/62/963790762.db2.gz SDUHVKBTTZIUPS-LURJTMIESA-N -1 0 347.259 3.516 20 0 EHADRM COc1ccc(OC(F)F)c(N[C@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC000314867265 963824034 /nfs/dbraw/zinc/82/40/34/963824034.db2.gz CLYNOTDNDDDXSB-SSDOTTSWSA-N -1 0 344.339 3.624 20 0 EHADRM C[C@H](NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1ccsc1 ZINC000315043955 963848981 /nfs/dbraw/zinc/84/89/81/963848981.db2.gz OJKPPDZOVXTHKN-ZETCQYMHSA-N -1 0 326.324 3.607 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2cc3sccc3s2)cc1 ZINC000316349396 964005309 /nfs/dbraw/zinc/00/53/09/964005309.db2.gz IUFPAJZHEYHKSV-UHFFFAOYSA-N -1 0 333.390 3.679 20 0 EHADRM COc1ccc([C@@H](NC(=O)c2cccc(C(=O)[O-])c2)C(C)C)cc1 ZINC000237219073 967782025 /nfs/dbraw/zinc/78/20/25/967782025.db2.gz SNRJHAYUHBUZKM-KRWDZBQOSA-N -1 0 327.380 3.521 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cccnc2SC(F)(F)F)c1 ZINC000238144307 967788092 /nfs/dbraw/zinc/78/80/92/967788092.db2.gz GPXIEYBNUCYPHD-UHFFFAOYSA-N -1 0 342.298 3.644 20 0 EHADRM C[C@H]1CN(C(=O)c2cc3c(s2)CCCCCC3)CC[C@@H]1C(=O)[O-] ZINC000261843500 967806610 /nfs/dbraw/zinc/80/66/10/967806610.db2.gz IXQIJYQOBCGYKM-JSGCOSHPSA-N -1 0 335.469 3.590 20 0 EHADRM CCn1cc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])c2ccccc21 ZINC000262217642 967814143 /nfs/dbraw/zinc/81/41/43/967814143.db2.gz YJEXMNSJCOCTPP-CQSZACIVSA-N -1 0 328.412 3.521 20 0 EHADRM C[C@H]1CN(C(=O)C2(c3ccc(F)cc3)CCCCC2)CC[C@@H]1C(=O)[O-] ZINC000262819906 967828940 /nfs/dbraw/zinc/82/89/40/967828940.db2.gz BODLOKNNPMYSLG-YOEHRIQHSA-N -1 0 347.430 3.597 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccccc2Oc2ccccc2)C1 ZINC000263307992 967868834 /nfs/dbraw/zinc/86/88/34/967868834.db2.gz HOCKUNOVPFIGBD-GJZGRUSLSA-N -1 0 339.391 3.662 20 0 EHADRM CC[C@H](NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000263357306 967879348 /nfs/dbraw/zinc/87/93/48/967879348.db2.gz RDXCIICTKLYONO-ZLDLUXBVSA-N -1 0 338.835 3.543 20 0 EHADRM Cc1ccc(SCCC(=O)N2CCCC[C@@H]2CC(=O)[O-])cc1C ZINC000321127498 968012591 /nfs/dbraw/zinc/01/25/91/968012591.db2.gz FFCGPEZBGATFKA-OAHLLOKOSA-N -1 0 335.469 3.641 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)/C=C\c1ccc(Cl)cc1 ZINC000324415847 968032459 /nfs/dbraw/zinc/03/24/59/968032459.db2.gz SBWKSIQLISQFOH-IEODJVTJSA-N -1 0 341.794 3.564 20 0 EHADRM CCCOc1ccc(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)cc1 ZINC000324894099 968034914 /nfs/dbraw/zinc/03/49/14/968034914.db2.gz OQJFWAWKRVKVDC-AWEZNQCLSA-N -1 0 336.432 3.734 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc3c(c2)CCCCC3)C1 ZINC000404589638 968327887 /nfs/dbraw/zinc/32/78/87/968327887.db2.gz WQEWTHIOPOXRGZ-CJNGLKHVSA-N -1 0 330.428 3.530 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000432130103 968374151 /nfs/dbraw/zinc/37/41/51/968374151.db2.gz PIGVCEDOHYWLLO-HHNLSAEISA-N -1 0 335.403 3.632 20 0 EHADRM O=C([O-])CCC(=O)N1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC000564728342 968420374 /nfs/dbraw/zinc/42/03/74/968420374.db2.gz FMEDVENDJWBNRS-UHFFFAOYSA-N -1 0 344.238 3.639 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)N1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 ZINC000566071521 968425549 /nfs/dbraw/zinc/42/55/49/968425549.db2.gz PBAPIKSNCOTWLJ-SJKOYZFVSA-N -1 0 343.810 3.687 20 0 EHADRM CCCn1ccc2cc(NC(=O)N3CC[C@@H](C(=O)[O-])[C@H](C)C3)ccc21 ZINC000630562508 968536975 /nfs/dbraw/zinc/53/69/75/968536975.db2.gz WLLWHHYBMKMBCC-CZUORRHYSA-N -1 0 343.427 3.626 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC000653279881 968637827 /nfs/dbraw/zinc/63/78/27/968637827.db2.gz HRXVGUSLONJNKD-ZWKOTPCHSA-N -1 0 327.424 3.527 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000653341453 968667319 /nfs/dbraw/zinc/66/73/19/968667319.db2.gz FABJNPZUCMQQMF-MFKMUULPSA-N -1 0 331.334 3.521 20 0 EHADRM Cc1ccc(-n2cccn2)cc1NC(=O)C1(C(=O)[O-])CCCCCC1 ZINC000663050426 968773936 /nfs/dbraw/zinc/77/39/36/968773936.db2.gz UKHAARLSIBMXOK-UHFFFAOYSA-N -1 0 341.411 3.544 20 0 EHADRM C[C@@H](C(=O)N([C@@H](C)C(=O)[O-])C1CC1)c1c(Cl)cccc1Cl ZINC000666364139 968836999 /nfs/dbraw/zinc/83/69/99/968836999.db2.gz ODMABYOQLQHOQL-BDAKNGLRSA-N -1 0 330.211 3.561 20 0 EHADRM COc1cc(C)c(NC(=O)NCc2cccc(C(=O)[O-])c2)c(C)c1C ZINC000669506246 968858353 /nfs/dbraw/zinc/85/83/53/968858353.db2.gz ZYFDEFBTBVXNOX-UHFFFAOYSA-N -1 0 342.395 3.640 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)N2CCCCC[C@H]2c2ccncc2)co1 ZINC000901567415 969440363 /nfs/dbraw/zinc/44/03/63/969440363.db2.gz QRQAVCMNZKOVNL-RTRPANQVSA-N -1 0 340.379 3.530 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN1C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC000902696416 969556656 /nfs/dbraw/zinc/55/66/56/969556656.db2.gz JVOYHGHRIFBPRT-SGQUHAKNSA-N -1 0 325.364 3.529 20 0 EHADRM C[C@H](NC(=O)[C@H](C(=O)[O-])C1CCCC1)c1nc(C(C)(C)C)cs1 ZINC001350421198 969770432 /nfs/dbraw/zinc/77/04/32/969770432.db2.gz DFORVTANHOVMQX-GXFFZTMASA-N -1 0 338.473 3.509 20 0 EHADRM Cc1sc(NC(=O)c2c(F)ccc(C)c2F)c(C(=O)[O-])c1C ZINC000317113445 970329063 /nfs/dbraw/zinc/32/90/63/970329063.db2.gz ROFWVPJSMPZUFC-UHFFFAOYSA-N -1 0 325.336 3.902 20 0 EHADRM CC(C)C[C@@H](CNC(=O)/C=C\c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000317247462 970341517 /nfs/dbraw/zinc/34/15/17/970341517.db2.gz PFWOGAQGWIWTEN-MVZIDQBPSA-N -1 0 344.238 3.870 20 0 EHADRM Cc1cc(NC(=O)Nc2ccc(C(=O)[O-])cc2F)nn1[C@H](C)C1CC1 ZINC001607689394 970394346 /nfs/dbraw/zinc/39/43/46/970394346.db2.gz GDORUZZOKUELMQ-SNVBAGLBSA-N -1 0 346.362 3.644 20 0 EHADRM COc1cc(NC(=O)/C=C\c2ccc(Cl)s2)ccc1C(=O)[O-] ZINC000318973548 970493500 /nfs/dbraw/zinc/49/35/00/970493500.db2.gz ZLIJSCWINJZQAV-DAXSKMNVSA-N -1 0 337.784 3.760 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)c1cnc(Cl)c(Cl)c1 ZINC000318995763 970494709 /nfs/dbraw/zinc/49/47/09/970494709.db2.gz LPIBYGFNCDPVRY-GFCCVEGCSA-N -1 0 345.226 3.542 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(Cl)c(F)c2)c(F)cc1F ZINC000319378634 970531008 /nfs/dbraw/zinc/53/10/08/970531008.db2.gz IWVJFRWXZOZNBA-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM C[C@@H]1C[C@H](c2cccnc2)N(C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC001609847151 970550626 /nfs/dbraw/zinc/55/06/26/970550626.db2.gz SUKMXVRBSZLMQO-BDJLRTHQSA-N -1 0 343.358 3.534 20 0 EHADRM C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000319628947 970554633 /nfs/dbraw/zinc/55/46/33/970554633.db2.gz ARDQOASKRRVPOM-VIFPVBQESA-N -1 0 337.734 3.583 20 0 EHADRM Cc1ccc(SCC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000319786490 970571949 /nfs/dbraw/zinc/57/19/49/970571949.db2.gz MNBGDXTZXGGBAQ-UHFFFAOYSA-N -1 0 337.347 3.702 20 0 EHADRM C[C@H]1CCc2sc(C(=O)Nc3ccc(F)c(C(=O)[O-])c3)cc2C1 ZINC000319882413 970583800 /nfs/dbraw/zinc/58/38/00/970583800.db2.gz XFAZBNYISBJXLN-VIFPVBQESA-N -1 0 333.384 3.963 20 0 EHADRM CCC(=O)Nc1ccc(Cl)c(NC(=O)CC(C)(C)CC(=O)[O-])c1 ZINC000320076029 970610241 /nfs/dbraw/zinc/61/02/41/970610241.db2.gz AWFCMZCGDDKMFE-UHFFFAOYSA-N -1 0 340.807 3.518 20 0 EHADRM O=C([O-])C1(NC(=O)c2cc3c(cccc3F)s2)CCCCCC1 ZINC000320318376 970648522 /nfs/dbraw/zinc/64/85/22/970648522.db2.gz MUDFNCRBHOSQPJ-UHFFFAOYSA-N -1 0 335.400 3.948 20 0 EHADRM CC(C)(C)c1nc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)cs1 ZINC000321146139 970748508 /nfs/dbraw/zinc/74/85/08/970748508.db2.gz FQPMLQORXWYEHN-HNNXBMFYSA-N -1 0 330.453 3.625 20 0 EHADRM CC(C)(C)C(C)(C)CNC(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000392859706 972535985 /nfs/dbraw/zinc/53/59/85/972535985.db2.gz TXTLTUVAENXHSI-UHFFFAOYSA-N -1 0 332.444 3.525 20 0 EHADRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccc(C2=CCCC2)cc1 ZINC001605824484 972560229 /nfs/dbraw/zinc/56/02/29/972560229.db2.gz ZMDGIWUYHZWPKB-IBGZPJMESA-N -1 0 335.403 3.680 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc(Cl)c(F)cc1Cl)c1ccccc1 ZINC001605825623 972561492 /nfs/dbraw/zinc/56/14/92/972561492.db2.gz UQJOGTZHUBTPDL-ZDUSSCGKSA-N -1 0 342.153 3.688 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)C1 ZINC001605833729 972567000 /nfs/dbraw/zinc/56/70/00/972567000.db2.gz JLGKNLIAVVAEGL-JNSHFYNHSA-N -1 0 335.831 3.521 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(CSc2ccc(F)cc2)cc1)C(=O)[O-] ZINC001604989265 972581929 /nfs/dbraw/zinc/58/19/29/972581929.db2.gz VILNYEDWFSVSEO-LLVKDONJSA-N -1 0 348.399 3.713 20 0 EHADRM CN(Cc1cc2ccccc2o1)C(=O)C1(C(=O)[O-])C(C)(C)C1(C)C ZINC001604187394 972613890 /nfs/dbraw/zinc/61/38/90/972613890.db2.gz SPYDRMURXZIPGH-UHFFFAOYSA-N -1 0 329.396 3.528 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1ccc(SC(F)(F)F)nc1 ZINC001605878536 972660171 /nfs/dbraw/zinc/66/01/71/972660171.db2.gz GWZFEDKSSQNOCD-UHFFFAOYSA-N -1 0 348.327 3.706 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1nc2c(s1)c(Cl)ccc2F ZINC001603324130 972668499 /nfs/dbraw/zinc/66/84/99/972668499.db2.gz VHSNEOJJIONNKJ-CQSZACIVSA-N -1 0 342.779 3.528 20 0 EHADRM CC1(C)CC[C@H](NC(=O)Nc2cncc(C(=O)[O-])c2)c2ccccc21 ZINC001603328447 972679744 /nfs/dbraw/zinc/67/97/44/972679744.db2.gz YKIZDTIJQVXXMS-INIZCTEOSA-N -1 0 339.395 3.714 20 0 EHADRM Cc1c(F)c(C(F)(F)F)ccc1C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC001605076502 972703868 /nfs/dbraw/zinc/70/38/68/972703868.db2.gz AKNIUISXVQFEHK-JTQLQIEISA-N -1 0 349.324 3.630 20 0 EHADRM Cc1c2occ(CC(=O)NC(C)(C)CCC(=O)[O-])c2ccc1Cl ZINC001605081437 972715481 /nfs/dbraw/zinc/71/54/81/972715481.db2.gz GPDCJDGTABCIMB-UHFFFAOYSA-N -1 0 337.803 3.697 20 0 EHADRM O=C([O-])[C@@H](C(=O)N[C@@H]1C[C@H]1c1cccc2ccccc21)C1CCCC1 ZINC001605900697 972726256 /nfs/dbraw/zinc/72/62/56/972726256.db2.gz HGBHYUNAKJURTF-IPMKNSEASA-N -1 0 337.419 3.703 20 0 EHADRM Cc1cc(Br)ccc1NC(=O)C1(C(=O)[O-])CCCCC1 ZINC001605102208 972757939 /nfs/dbraw/zinc/75/79/39/972757939.db2.gz ORWDCFMKPODMOM-UHFFFAOYSA-N -1 0 340.217 3.731 20 0 EHADRM C[C@H]1CCC[C@H](C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)C1 ZINC000394785217 972758040 /nfs/dbraw/zinc/75/80/40/972758040.db2.gz SZNSZZUBMAXVQD-UWVGGRQHSA-N -1 0 340.217 3.912 20 0 EHADRM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000396367690 972866974 /nfs/dbraw/zinc/86/69/74/972866974.db2.gz ANYCBGFONLOFAM-NWDGAFQWSA-N -1 0 347.798 3.934 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc3ccc(Cl)nc3n2)CCCCCC1 ZINC001605942316 972891612 /nfs/dbraw/zinc/89/16/12/972891612.db2.gz QRSOKHFBXONBCG-UHFFFAOYSA-N -1 0 347.802 3.647 20 0 EHADRM Cc1cc(NC(=O)c2cc(Br)oc2C)sc1C(=O)[O-] ZINC000396451728 972892390 /nfs/dbraw/zinc/89/23/90/972892390.db2.gz DPTZTPHZNJBSOF-UHFFFAOYSA-N -1 0 344.186 3.671 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2nc3c(cccc3Cl)s2)CC=CCC1 ZINC001605943602 972894679 /nfs/dbraw/zinc/89/46/79/972894679.db2.gz CBIOMYLSBIHCPV-OAHLLOKOSA-N -1 0 336.800 3.699 20 0 EHADRM COc1ccc(Cl)cc1C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000396624245 972924792 /nfs/dbraw/zinc/92/47/92/972924792.db2.gz LHVXATWBSHFIRN-JTQLQIEISA-N -1 0 333.771 3.789 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1ccc(COC(C)(C)C)cc1 ZINC001603381236 972958714 /nfs/dbraw/zinc/95/87/14/972958714.db2.gz PFNVBMOLYGJXFJ-ZFWWWQNUSA-N -1 0 348.443 3.719 20 0 EHADRM Cc1cc(OCC(=O)NCc2ccccc2C(=O)[O-])ccc1C(C)C ZINC001605216723 972962850 /nfs/dbraw/zinc/96/28/50/972962850.db2.gz PHJCCRKNRAFULN-UHFFFAOYSA-N -1 0 341.407 3.512 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001605223907 972972275 /nfs/dbraw/zinc/97/22/75/972972275.db2.gz KBRLKZWIBAYXTL-RGDDUWESSA-N -1 0 343.379 3.722 20 0 EHADRM Cc1ccc(CCC(=O)N(CC(=O)[O-])CC(C)(C)C)cc1Cl ZINC001605270965 973052855 /nfs/dbraw/zinc/05/28/55/973052855.db2.gz WSHSGHSNUIFROT-UHFFFAOYSA-N -1 0 325.836 3.540 20 0 EHADRM Cc1ccc(CNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)c(OC(C)(C)C)c1 ZINC001605273310 973059939 /nfs/dbraw/zinc/05/99/39/973059939.db2.gz AAUIWTFRUBDBJZ-HXUWFJFHSA-N -1 0 345.439 3.600 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)NCc2cccc(Cl)c2Cl)co1 ZINC001606063359 973189600 /nfs/dbraw/zinc/18/96/00/973189600.db2.gz ABBXAXUPACXOHV-SNAWJCMRSA-N -1 0 340.162 3.614 20 0 EHADRM Cc1cccc([C@H](NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)C(=O)[O-])c1 ZINC001605328957 973191165 /nfs/dbraw/zinc/19/11/65/973191165.db2.gz RHZUAMJTHNRLPD-CNNODRBYSA-N -1 0 349.430 3.531 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)N2CCCSc3ccc(F)cc32)co1 ZINC001606063760 973194451 /nfs/dbraw/zinc/19/44/51/973194451.db2.gz UJYCEHNOZGBYKR-HWKANZROSA-N -1 0 347.367 3.659 20 0 EHADRM C[C@@H]1CCc2c(sc(NC(=O)CCc3cccnc3)c2C(=O)[O-])C1 ZINC001603434178 973197243 /nfs/dbraw/zinc/19/72/43/973197243.db2.gz MOWRUKNACLQWND-LLVKDONJSA-N -1 0 344.436 3.537 20 0 EHADRM O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)N1C2CCC1CC2 ZINC000399393789 973217462 /nfs/dbraw/zinc/21/74/62/973217462.db2.gz LJTXEGLDTYXQOS-UHFFFAOYSA-N -1 0 328.290 3.562 20 0 EHADRM Cc1cccc(Cl)c1CC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001605339349 973225090 /nfs/dbraw/zinc/22/50/90/973225090.db2.gz GJNLMKJPORISQK-NVXWUHKLSA-N -1 0 343.810 3.620 20 0 EHADRM Cc1ccccc1C(F)(F)C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001605351038 973254337 /nfs/dbraw/zinc/25/43/37/973254337.db2.gz LJFNUGKGUXKRFF-GOEBONIOSA-N -1 0 345.345 3.516 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1c1cc(SCc2ccccc2)ncn1 ZINC001606090687 973258270 /nfs/dbraw/zinc/25/82/70/973258270.db2.gz OWIQUOUVGUFHRF-OAHLLOKOSA-N -1 0 343.452 3.603 20 0 EHADRM C[C@@H]1CN(C)c2ccccc2N(C(=O)C2(C(=O)[O-])CCCCCC2)C1 ZINC001603462305 973314468 /nfs/dbraw/zinc/31/44/68/973314468.db2.gz WBCWMJRZIIMTSR-OAHLLOKOSA-N -1 0 344.455 3.531 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](CC(C)(C)C)C(=O)[O-] ZINC000401412696 973363853 /nfs/dbraw/zinc/36/38/53/973363853.db2.gz BIPLXDDCXCIDEZ-GXFFZTMASA-N -1 0 343.876 3.826 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)CCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000401433614 973365086 /nfs/dbraw/zinc/36/50/86/973365086.db2.gz IYJZRFKTBWLXGG-ZDUSSCGKSA-N -1 0 346.254 3.932 20 0 EHADRM O=C([O-])CCCC(=O)Nc1cccc(-c2ccc(F)cc2Cl)n1 ZINC001606136843 973387239 /nfs/dbraw/zinc/38/72/39/973387239.db2.gz JWRRVLQYKDPMIV-UHFFFAOYSA-N -1 0 336.750 3.735 20 0 EHADRM Cc1nc2c(Cl)cccc2cc1C(=O)NC1(C(=O)[O-])CCCCC1 ZINC001605413448 973417427 /nfs/dbraw/zinc/41/74/27/973417427.db2.gz IGNRAJDNPYIMRF-UHFFFAOYSA-N -1 0 346.814 3.714 20 0 EHADRM Cc1ncsc1CCN1C[C@H](CCC(=O)[O-])Cc2ccccc21 ZINC001605428882 973465225 /nfs/dbraw/zinc/46/52/25/973465225.db2.gz MNCBIQJMGTYGBC-CQSZACIVSA-N -1 0 330.453 3.538 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N(C)c1ccc(-c2nccs2)cc1 ZINC001603520042 973544472 /nfs/dbraw/zinc/54/44/72/973544472.db2.gz LCHOPIFJRBKDGF-UHFFFAOYSA-N -1 0 332.425 3.664 20 0 EHADRM CCC(CC)(CNC(=O)[C@@H]1CCC[C@H]1Cc1ccccc1)C(=O)[O-] ZINC001603532355 973583033 /nfs/dbraw/zinc/58/30/33/973583033.db2.gz RBIRMBKYRJFVKY-DLBZAZTESA-N -1 0 331.456 3.653 20 0 EHADRM CCC(CC)(CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1C)C(=O)[O-] ZINC001603535458 973588612 /nfs/dbraw/zinc/58/86/12/973588612.db2.gz ORCOJTFZRHGADQ-BBRMVZONSA-N -1 0 332.444 3.500 20 0 EHADRM CCC(CC)(CNC(=O)N[C@H]1c2ccccc2CC[C@H]1C)C(=O)[O-] ZINC001603535460 973588678 /nfs/dbraw/zinc/58/86/78/973588678.db2.gz ORCOJTFZRHGADQ-CZUORRHYSA-N -1 0 332.444 3.500 20 0 EHADRM CC[C@H](CNC(=O)NC1(c2cccc(Cl)c2)CCCC1)C(=O)[O-] ZINC001603558624 973650185 /nfs/dbraw/zinc/65/01/85/973650185.db2.gz APKUXSNYKFMDEE-GFCCVEGCSA-N -1 0 338.835 3.519 20 0 EHADRM CC[C@@H](CNC(=O)NCc1ccc(-c2cccc(C)c2)cc1)C(=O)[O-] ZINC001603562817 973682964 /nfs/dbraw/zinc/68/29/64/973682964.db2.gz WZYZXVUAQDXPPP-INIZCTEOSA-N -1 0 340.423 3.572 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)Cc1cc2cc(Cl)ccc2[nH]1 ZINC001606313054 973730552 /nfs/dbraw/zinc/73/05/52/973730552.db2.gz LHZQYHRFKLWNQZ-UHFFFAOYSA-N -1 0 342.782 3.630 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC001606318514 973736759 /nfs/dbraw/zinc/73/67/59/973736759.db2.gz VYGCPTVBQJHJEA-AWEZNQCLSA-N -1 0 344.333 3.556 20 0 EHADRM CC[C@H](NC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)C1CCCCC1 ZINC001603582920 973747270 /nfs/dbraw/zinc/74/72/70/973747270.db2.gz UFHHKCUVBYIVAJ-FXAWDEMLSA-N -1 0 346.471 3.687 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC000405337083 973833923 /nfs/dbraw/zinc/83/39/23/973833923.db2.gz KTCBWVGTJORMBG-CMPLNLGQSA-N -1 0 344.333 3.779 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Cc2cccc(Cl)c2Cl)C1 ZINC001603601446 973854202 /nfs/dbraw/zinc/85/42/02/973854202.db2.gz SIERHAGEMQSOCL-INIZCTEOSA-N -1 0 344.238 3.639 20 0 EHADRM COc1cc(Br)ccc1CCCSCCC(=O)[O-] ZINC001604685093 973879107 /nfs/dbraw/zinc/87/91/07/973879107.db2.gz MKMVYVREDHJWIY-UHFFFAOYSA-N -1 0 333.247 3.598 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N(Cc2ccccc2)C(C)(C)C)cc1 ZINC000107947322 1014150776 /nfs/dbraw/zinc/15/07/76/1014150776.db2.gz URIDIJGVLPFRKJ-XMMPIXPASA-N -1 0 343.492 3.930 20 0 EHADRM CC[C@H](C)OCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](CC)C2 ZINC001603625510 973936571 /nfs/dbraw/zinc/93/65/71/973936571.db2.gz XWGNJYHQCNLKSM-WDEREUQCSA-N -1 0 339.457 3.715 20 0 EHADRM C[C@@H](NC(=O)NCCCCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000414602218 973941493 /nfs/dbraw/zinc/94/14/93/973941493.db2.gz SPYHEURHVJALCT-LLVKDONJSA-N -1 0 346.349 3.711 20 0 EHADRM CCC[C@H](C)[C@@H]1CCCN1C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001603633127 973957397 /nfs/dbraw/zinc/95/73/97/973957397.db2.gz WZUOSNXICCFGBC-KNBMTAEXSA-N -1 0 346.471 3.639 20 0 EHADRM CC(C)(C)OC(=O)c1cccc(CN[C@H](C(=O)[O-])c2cccs2)c1 ZINC000417551498 973960796 /nfs/dbraw/zinc/96/07/96/973960796.db2.gz ALRUXDRIPSXKKD-HNNXBMFYSA-N -1 0 347.436 3.619 20 0 EHADRM CSCc1cnc(CN[C@H](CCC(=O)[O-])c2ccccc2)s1 ZINC000417605665 973965654 /nfs/dbraw/zinc/96/56/54/973965654.db2.gz YYOVCTJUXFRWDY-CQSZACIVSA-N -1 0 336.482 3.702 20 0 EHADRM COc1ccc(-n2ccnc2SCCC2(C(=O)[O-])CCC2)cc1 ZINC001604756362 973967550 /nfs/dbraw/zinc/96/75/50/973967550.db2.gz KDUASLHLWBTNOI-UHFFFAOYSA-N -1 0 332.425 3.618 20 0 EHADRM CC(C)Oc1ccc(NC(=O)NCCCCCC(=O)[O-])cc1Cl ZINC000417739484 973967555 /nfs/dbraw/zinc/96/75/55/973967555.db2.gz YHSFWXIOBDZECG-UHFFFAOYSA-N -1 0 342.823 3.894 20 0 EHADRM COc1ccc([C@H]2CCCCCN2C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001604775062 974006301 /nfs/dbraw/zinc/00/63/01/974006301.db2.gz VAIQJEUOBGDSPZ-LZLYRXPVSA-N -1 0 345.439 3.640 20 0 EHADRM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424393635 974026984 /nfs/dbraw/zinc/02/69/84/974026984.db2.gz AYZHAULKRVTODI-IAGOWNOFSA-N -1 0 346.471 3.855 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)C1(c2ccccc2F)CCCC1 ZINC001606523516 974030967 /nfs/dbraw/zinc/03/09/67/974030967.db2.gz ZHKUPVMLLGCSDD-UHFFFAOYSA-N -1 0 341.382 3.652 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)NCCC(C)(C)C(=O)[O-] ZINC000424473230 974038783 /nfs/dbraw/zinc/03/87/83/974038783.db2.gz QDXHTLASEOMPOX-UHFFFAOYSA-N -1 0 330.837 3.684 20 0 EHADRM O=C([O-])[C@H](NCc1cnn(-c2ccc(Cl)cc2)c1)c1cccs1 ZINC000426813827 974049101 /nfs/dbraw/zinc/04/91/01/974049101.db2.gz ZXUJXBZQMQQLHB-OAHLLOKOSA-N -1 0 347.827 3.503 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)[C@H](Sc1ccccc1F)c1ccccc1 ZINC000427748627 974058884 /nfs/dbraw/zinc/05/88/84/974058884.db2.gz ZCWKWZLFXXYTBH-YVEFUNNKSA-N -1 0 347.411 3.639 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)CCCc2ccc3ccccc3c2)o1 ZINC000431517543 974067562 /nfs/dbraw/zinc/06/75/62/974067562.db2.gz ILYCOKGQODPMRH-UHFFFAOYSA-N -1 0 337.375 3.770 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)Nc2ccc(OC3CCC3)c(F)c2)o1 ZINC001605668102 974069782 /nfs/dbraw/zinc/06/97/82/974069782.db2.gz OKJWWEQVQAQDKC-TWGQIWQCSA-N -1 0 345.326 3.700 20 0 EHADRM CCC(CC)(CNC(=O)CCc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000431798532 974076382 /nfs/dbraw/zinc/07/63/82/974076382.db2.gz FSXGAYDUOJRQQQ-UHFFFAOYSA-N -1 0 345.361 3.645 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)C/C=C\Cc2ccccc2)c2ccccc21 ZINC001605670242 974080064 /nfs/dbraw/zinc/08/00/64/974080064.db2.gz GSYIYIHWCMACFE-ZSKSOVMSSA-N -1 0 335.403 3.605 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2cncc3ccccc32)cc1)C(=O)[O-] ZINC000431986922 974081017 /nfs/dbraw/zinc/08/10/17/974081017.db2.gz OJPBCWPIQQRVJZ-CYBMUJFWSA-N -1 0 334.375 3.750 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N[C@H](CC1CCC1)c1ccccc1 ZINC000432119054 974088611 /nfs/dbraw/zinc/08/86/11/974088611.db2.gz AENWNDBCHSSRGO-LJQANCHMSA-N -1 0 337.419 3.975 20 0 EHADRM Cc1ccc(C)c(SCC(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])c1 ZINC000432122727 974090142 /nfs/dbraw/zinc/09/01/42/974090142.db2.gz OWAATURPNIRDPP-RDTXWAMCSA-N -1 0 335.469 3.545 20 0 EHADRM C[C@]1(NC(=O)c2ccc(Cl)c(Cl)c2)CCCC[C@H]1C(=O)[O-] ZINC000432138023 974092793 /nfs/dbraw/zinc/09/27/93/974092793.db2.gz HSHYHEJZMYZTPT-BONVTDFDSA-N -1 0 330.211 3.757 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000439920833 974112465 /nfs/dbraw/zinc/11/24/65/974112465.db2.gz HEUVGVAESSBEHK-MRXNPFEDSA-N -1 0 345.826 3.854 20 0 EHADRM CC[C@@H](CC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc(OC)cc1 ZINC000439927810 974112790 /nfs/dbraw/zinc/11/27/90/974112790.db2.gz XPWUZGPYTJQTMP-ZDUSSCGKSA-N -1 0 327.380 3.916 20 0 EHADRM Cc1ccc([C@H](CNC(=O)c2ccc(Cl)c(C)c2)C(=O)[O-])cc1 ZINC000439947050 974114075 /nfs/dbraw/zinc/11/40/75/974114075.db2.gz YWECBJVFJUCLAK-HNNXBMFYSA-N -1 0 331.799 3.555 20 0 EHADRM C[C@H]1CN(C(=O)CCCc2ccc(C(C)(C)C)cc2)CC[C@H]1C(=O)[O-] ZINC000449002109 974140618 /nfs/dbraw/zinc/14/06/18/974140618.db2.gz LZGUUHZZFVASQD-MAUKXSAKSA-N -1 0 345.483 3.876 20 0 EHADRM CSc1ccsc1C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC000449002672 974140674 /nfs/dbraw/zinc/14/06/74/974140674.db2.gz NAHRAUCGWPXWNF-LLVKDONJSA-N -1 0 327.471 3.623 20 0 EHADRM O=C([O-])c1ccc([C@@H](NC(=O)CC2=CCCCC2)C(F)(F)F)cc1 ZINC000455916343 974167989 /nfs/dbraw/zinc/16/79/89/974167989.db2.gz FEPPSBKBVMSIIL-OAHLLOKOSA-N -1 0 341.329 3.995 20 0 EHADRM CC[C@H](C)[C@H](C)C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000455942517 974175711 /nfs/dbraw/zinc/17/57/11/974175711.db2.gz YYHQSJDFVPUSHV-OUJBWJOFSA-N -1 0 331.334 3.787 20 0 EHADRM Cc1cc(C)c2c(c1)N(C(=O)c1ccc(C(=O)[O-])cc1F)CCC2 ZINC000478847415 974211187 /nfs/dbraw/zinc/21/11/87/974211187.db2.gz DTUYZWNPFYBZCW-UHFFFAOYSA-N -1 0 327.355 3.734 20 0 EHADRM C[C@H](NC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ccc(Oc2ccccc2)c(F)c1 ZINC000485661857 974231395 /nfs/dbraw/zinc/23/13/95/974231395.db2.gz BZSRRFSDFSCABZ-CQDKDKBSSA-N -1 0 343.354 3.516 20 0 EHADRM Cc1ccc([C@H](CNC(=O)[C@@H](C)CC2CCCCC2)C(=O)[O-])cc1 ZINC000486384100 974247798 /nfs/dbraw/zinc/24/77/98/974247798.db2.gz BBNKEDPFDVASCJ-YJBOKZPZSA-N -1 0 331.456 3.886 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2cccc(C(F)F)c2)CCCCC1 ZINC000516848155 974310094 /nfs/dbraw/zinc/31/00/94/974310094.db2.gz MKHQLJWXKJJHTJ-UHFFFAOYSA-N -1 0 325.355 3.779 20 0 EHADRM CCOc1ccc(C[C@H](C)C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001603861159 974364458 /nfs/dbraw/zinc/36/44/58/974364458.db2.gz PBBMKKDOZLHAEG-YOEHRIQHSA-N -1 0 349.471 3.660 20 0 EHADRM O=C([O-])CC1(NC(=O)Cn2ccc3ccc(Cl)cc32)CCCCC1 ZINC000531747958 974369124 /nfs/dbraw/zinc/36/91/24/974369124.db2.gz CFUTYOYSKQRMKK-UHFFFAOYSA-N -1 0 348.830 3.589 20 0 EHADRM CCOc1ccc([C@H](C)OC(=O)c2coc(/C=C\C(=O)[O-])c2)cc1 ZINC001603869531 974372687 /nfs/dbraw/zinc/37/26/87/974372687.db2.gz KKBUUQKEWNDXSK-LAUAKBEESA-N -1 0 330.336 3.694 20 0 EHADRM CC(C)(C)c1ncc(C(=O)NCC2(CC(=O)[O-])CCCCC2)s1 ZINC000537472901 974383336 /nfs/dbraw/zinc/38/33/36/974383336.db2.gz CMHIUYQJSBBIHM-UHFFFAOYSA-N -1 0 338.473 3.596 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2cc3cc(F)ccc3o2)CCCCC1 ZINC000537475598 974385444 /nfs/dbraw/zinc/38/54/44/974385444.db2.gz OCWKMWBABSOETB-UHFFFAOYSA-N -1 0 333.359 3.727 20 0 EHADRM COc1ccc(S[C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000539606030 974397156 /nfs/dbraw/zinc/39/71/56/974397156.db2.gz QANCWNZLTACRPL-SNVBAGLBSA-N -1 0 349.383 3.652 20 0 EHADRM C[C@H](CC(=O)NCC1(CC(=O)[O-])CCCCC1)c1cccc(F)c1 ZINC000540776217 974408545 /nfs/dbraw/zinc/40/85/45/974408545.db2.gz IDRWUFYJTGGPNB-CQSZACIVSA-N -1 0 335.419 3.861 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)C/C=C/c1cccc(F)c1)CC2 ZINC000540776920 974409536 /nfs/dbraw/zinc/40/95/36/974409536.db2.gz ROFXSLPTGRHUGI-DUXPYHPUSA-N -1 0 339.366 3.512 20 0 EHADRM Cc1cc2cc(C(=O)NCCc3cccc(C(=O)[O-])c3)oc2cc1C ZINC000540777186 974409566 /nfs/dbraw/zinc/40/95/66/974409566.db2.gz LVNLULNAVHLZEW-UHFFFAOYSA-N -1 0 337.375 3.720 20 0 EHADRM CC[C@@H](Nc1nc(-c2cccc(OC)c2)nc2ccccc21)C(=O)[O-] ZINC001603918822 974414910 /nfs/dbraw/zinc/41/49/10/974414910.db2.gz NUYLRWCPDPBKNA-OAHLLOKOSA-N -1 0 337.379 3.581 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(NCc3ccccc3)c(Cl)c2)CC1 ZINC000558384370 974494304 /nfs/dbraw/zinc/49/43/04/974494304.db2.gz ZAJPTIWTWGWGDX-UHFFFAOYSA-N -1 0 344.798 3.755 20 0 EHADRM Cc1c(C(=O)Nc2cccc(C(=O)[O-])c2)sc2nccc(C)c12 ZINC000562269005 974505261 /nfs/dbraw/zinc/50/52/61/974505261.db2.gz XVLYUDVUFXXURS-UHFFFAOYSA-N -1 0 326.377 3.864 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)Nc1ccc(OC(C)C)cc1C ZINC000562620576 974507781 /nfs/dbraw/zinc/50/77/81/974507781.db2.gz HKMLLLNWCYNOLW-UHFFFAOYSA-N -1 0 331.368 3.563 20 0 EHADRM COc1cccc(-c2nc(CN3CCC(CC(=O)[O-])CC3)cs2)c1 ZINC000563282547 974527166 /nfs/dbraw/zinc/52/71/66/974527166.db2.gz IOABNWVTSVHTDV-UHFFFAOYSA-N -1 0 346.452 3.505 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccoc1C1CC1)c1ccc(Cl)cc1 ZINC000563624927 974537148 /nfs/dbraw/zinc/53/71/48/974537148.db2.gz OTVHDKXCQYNBJC-AWEZNQCLSA-N -1 0 333.771 3.756 20 0 EHADRM Cc1oc(CN(C)Cc2cc(-c3cccs3)on2)cc1C(=O)[O-] ZINC000564336578 974547035 /nfs/dbraw/zinc/54/70/35/974547035.db2.gz AEZUHJNAHLDVQI-UHFFFAOYSA-N -1 0 332.381 3.635 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000565226592 974575363 /nfs/dbraw/zinc/57/53/63/974575363.db2.gz YBGXQHQDEPMOTN-UFBFGSQYSA-N -1 0 330.211 3.598 20 0 EHADRM COc1cccc(-c2nc(CN3CC[C@H](C)C[C@H]3C(=O)[O-])cs2)c1 ZINC000566367348 974612110 /nfs/dbraw/zinc/61/21/10/974612110.db2.gz DKURSKYVCDNKAV-LRDDRELGSA-N -1 0 346.452 3.504 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)NC(C)(C)Cc1ccc(Cl)cc1Cl ZINC000566484877 974612835 /nfs/dbraw/zinc/61/28/35/974612835.db2.gz ZDWWFFXSLDSUHL-SNVBAGLBSA-N -1 0 346.254 3.932 20 0 EHADRM COc1cc(CN2CC[C@@H](C(=O)[O-])c3ccccc32)ccc1SC ZINC000566552343 974617241 /nfs/dbraw/zinc/61/72/41/974617241.db2.gz RHPOBBLBYBEPHD-OAHLLOKOSA-N -1 0 343.448 3.996 20 0 EHADRM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2Br)s1 ZINC000567560545 974636872 /nfs/dbraw/zinc/63/68/72/974636872.db2.gz PPAXBIIUXBTPJT-CYBMUJFWSA-N -1 0 340.242 3.735 20 0 EHADRM CC[C@@H]1CN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CCS1 ZINC000568062972 974658497 /nfs/dbraw/zinc/65/84/97/974658497.db2.gz XOPZNYZKNXCHFC-MFKMUULPSA-N -1 0 334.268 3.947 20 0 EHADRM CSc1ccccc1[C@H](C)NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000568286269 974666392 /nfs/dbraw/zinc/66/63/92/974666392.db2.gz YRNBIADUSXMAHC-ZDUSSCGKSA-N -1 0 343.448 3.917 20 0 EHADRM COc1cncc(/C=C/CCN2CC[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000568534677 974673646 /nfs/dbraw/zinc/67/36/46/974673646.db2.gz TZVVLWLEJALIED-JXTAAOLFSA-N -1 0 338.407 3.572 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(-c2ccc(NC(=O)C(C)(C)C)nc2)s1 ZINC000569020874 974683667 /nfs/dbraw/zinc/68/36/67/974683667.db2.gz JIQSUEWVLBUGPE-JTQLQIEISA-N -1 0 332.425 3.983 20 0 EHADRM Cc1ccccc1[C@@H](C(=O)[O-])N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000570100103 974705191 /nfs/dbraw/zinc/70/51/91/974705191.db2.gz HCJDDJWOZAZIFQ-ROUUACIJSA-N -1 0 345.826 3.848 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000570970578 974720667 /nfs/dbraw/zinc/72/06/67/974720667.db2.gz XCGOVELBPZUHII-LJQANCHMSA-N -1 0 343.810 3.517 20 0 EHADRM CN(Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)C[C@@H]1CCCCO1 ZINC000571451952 974729754 /nfs/dbraw/zinc/72/97/54/974729754.db2.gz DGHWSKFSYBBJRP-INIZCTEOSA-N -1 0 346.452 3.509 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1ccc(-c2ccccc2Cl)o1)CC1CC1 ZINC000573731718 974770585 /nfs/dbraw/zinc/77/05/85/974770585.db2.gz IZCYLFWMICJMNG-LBPRGKRZSA-N -1 0 347.798 3.831 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CN1C[C@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000573974964 974775122 /nfs/dbraw/zinc/77/51/22/974775122.db2.gz HCMCVDVHVMRYEK-PIGZYNQJSA-N -1 0 349.814 3.902 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CN1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000573974961 974775192 /nfs/dbraw/zinc/77/51/92/974775192.db2.gz HCMCVDVHVMRYEK-APPDUMDISA-N -1 0 349.814 3.902 20 0 EHADRM COc1cccc(Oc2ccc(NC(=O)C[C@@H](C)CC(=O)[O-])cc2)c1 ZINC000574926805 974792253 /nfs/dbraw/zinc/79/22/53/974792253.db2.gz NPZYJDCJUIBHRK-CYBMUJFWSA-N -1 0 343.379 3.927 20 0 EHADRM Cc1cc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)oc1C(=O)[O-] ZINC000576719437 974820766 /nfs/dbraw/zinc/82/07/66/974820766.db2.gz XPKHOODJDHWZJQ-OAHLLOKOSA-N -1 0 335.787 3.513 20 0 EHADRM O=C([O-])COc1cccc(C(=O)N2CCCC[C@@H]2c2ccccc2)c1 ZINC000577075111 974828373 /nfs/dbraw/zinc/82/83/73/974828373.db2.gz PQBMBXJDTQCHKN-GOSISDBHSA-N -1 0 339.391 3.517 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@@H]2CCCc3ccccc32)cc1C ZINC000107963402 1014219053 /nfs/dbraw/zinc/21/90/53/1014219053.db2.gz AJGCALHRNFTCMT-DVECYGJZSA-N -1 0 341.476 3.605 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)C2CC3(CCC3)C2)cc1 ZINC000579716201 974881152 /nfs/dbraw/zinc/88/11/52/974881152.db2.gz KVIVBBRRGJRNNS-OAHLLOKOSA-N -1 0 333.453 3.621 20 0 EHADRM C[C@@]1(c2ccccc2)CN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CCO1 ZINC000583818159 974946397 /nfs/dbraw/zinc/94/63/97/974946397.db2.gz PJAOFAJYOUFSGP-MJGOQNOKSA-N -1 0 345.826 3.713 20 0 EHADRM CC[C@@H](C)CCCCC(=O)[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000784899663 1014226365 /nfs/dbraw/zinc/22/63/65/1014226365.db2.gz VETACVOSTRZOMK-GFCCVEGCSA-N -1 0 347.427 3.517 20 0 EHADRM CSCc1cnc(CNc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)s1 ZINC000600943294 975012668 /nfs/dbraw/zinc/01/26/68/975012668.db2.gz XFEWLTFAUVCDAB-UONOGXRCSA-N -1 0 334.466 3.806 20 0 EHADRM COc1ccc(CNc2ncnc3sc(C)c(C)c32)cc1C(=O)[O-] ZINC000621572117 975037045 /nfs/dbraw/zinc/03/70/45/975037045.db2.gz UKSKBJPNQXSZAZ-UHFFFAOYSA-N -1 0 343.408 3.627 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000621610990 975059882 /nfs/dbraw/zinc/05/98/82/975059882.db2.gz UFZXYXZKIAWWJN-RYUDHWBXSA-N -1 0 332.425 3.521 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)c1cccc(Oc2ccccc2)c1 ZINC000621619447 975062904 /nfs/dbraw/zinc/06/29/04/975062904.db2.gz IKRYKHXEUXWYCH-INIZCTEOSA-N -1 0 339.391 3.948 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(OC3CCCC3)c2)oc1C(=O)[O-] ZINC000630109480 975104686 /nfs/dbraw/zinc/10/46/86/975104686.db2.gz OUXHSQOKIMHRMT-UHFFFAOYSA-N -1 0 329.352 3.860 20 0 EHADRM Cc1cc(C(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)oc1C(=O)[O-] ZINC000630113735 975107195 /nfs/dbraw/zinc/10/71/95/975107195.db2.gz RRLGDIWIFYPPBD-LBPRGKRZSA-N -1 0 331.368 3.564 20 0 EHADRM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2cncc(C(=O)[O-])c2)o1 ZINC000630122282 975110888 /nfs/dbraw/zinc/11/08/88/975110888.db2.gz IWGDWHZYRSMMCN-BLLLJJGKSA-N -1 0 342.395 3.549 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000630130274 975115536 /nfs/dbraw/zinc/11/55/36/975115536.db2.gz JUMZOKZPIQICON-QWFCFKBJSA-N -1 0 349.430 3.781 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C1CCc2ccccc2CC1 ZINC000630135124 975119866 /nfs/dbraw/zinc/11/98/66/975119866.db2.gz IFPCOZOGACXCCQ-UHFFFAOYSA-N -1 0 337.419 3.538 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@H]2CCc2ccccc2)oc1C(=O)[O-] ZINC000630149913 975130791 /nfs/dbraw/zinc/13/07/91/975130791.db2.gz QCGFLIHFBIKGER-HNNXBMFYSA-N -1 0 327.380 3.524 20 0 EHADRM C[C@@]1(NC(=O)Cc2coc3cc(Cl)ccc23)CCCC[C@H]1C(=O)[O-] ZINC000630163398 975138132 /nfs/dbraw/zinc/13/81/32/975138132.db2.gz JNDIXVAMRYZILQ-KBXCAEBGSA-N -1 0 349.814 3.778 20 0 EHADRM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)c2cncc(C(=O)[O-])c2)cc1 ZINC000630169721 975141056 /nfs/dbraw/zinc/14/10/56/975141056.db2.gz FHCMUCWPISKPGJ-RDTXWAMCSA-N -1 0 338.407 3.702 20 0 EHADRM Cc1cc(C(=O)NC(C)(C)c2cccc(Cl)c2F)oc1C(=O)[O-] ZINC000630184026 975146330 /nfs/dbraw/zinc/14/63/30/975146330.db2.gz YPCQJXNBIRQXOE-UHFFFAOYSA-N -1 0 339.750 3.744 20 0 EHADRM CC[C@@H](CC(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1)C(C)(C)C ZINC000630240326 975184847 /nfs/dbraw/zinc/18/48/47/975184847.db2.gz BGBQYKUXLBNDSC-LBPRGKRZSA-N -1 0 335.419 3.871 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N1CCCC(F)(F)CC1)C(=O)[O-] ZINC000630240285 975184952 /nfs/dbraw/zinc/18/49/52/975184952.db2.gz AGGPBFOCWXVMHZ-LLVKDONJSA-N -1 0 343.395 3.513 20 0 EHADRM O=C([O-])c1ccc(F)c2c1CN(C(=O)CC1CCCCCC1)CC2 ZINC000630240929 975185563 /nfs/dbraw/zinc/18/55/63/975185563.db2.gz RFGBBLCXNRERLJ-UHFFFAOYSA-N -1 0 333.403 3.769 20 0 EHADRM O=C([O-])c1ccc(F)c2c1CN(C(=O)[C@H]1[C@@H]3CCCCCC[C@@H]31)CC2 ZINC000630240758 975185690 /nfs/dbraw/zinc/18/56/90/975185690.db2.gz GEWCVRWINAVYDR-UOIKSKOESA-N -1 0 345.414 3.625 20 0 EHADRM CC1=CC[C@@](C)(C(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)CC1 ZINC000630241408 975186131 /nfs/dbraw/zinc/18/61/31/975186131.db2.gz MHDPAJHEHYLEEF-LJQANCHMSA-N -1 0 331.387 3.545 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1ccccc1C(F)(F)F)C1CCCCC1 ZINC000630263000 975205749 /nfs/dbraw/zinc/20/57/49/975205749.db2.gz SFUQHVUQJRIDQC-CYBMUJFWSA-N -1 0 343.345 3.716 20 0 EHADRM COc1cccc([C@H](C)CC(=O)NC[C@H](C(=O)[O-])C2CCCCC2)c1 ZINC000630265423 975208679 /nfs/dbraw/zinc/20/86/79/975208679.db2.gz OIFPDIJPONVXLM-KDOFPFPSSA-N -1 0 347.455 3.586 20 0 EHADRM Cc1cc(C(F)F)oc1C(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC000630267907 975211882 /nfs/dbraw/zinc/21/18/82/975211882.db2.gz TXXBNYNQIXYZAS-NSHDSACASA-N -1 0 329.343 3.537 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CCC(F)(F)C[C@@H]1C)C(=O)[O-] ZINC000630274892 975219757 /nfs/dbraw/zinc/21/97/57/975219757.db2.gz ONELRZYPHHRVCG-QWRGUYRKSA-N -1 0 343.395 3.512 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000630284829 975229543 /nfs/dbraw/zinc/22/95/43/975229543.db2.gz MGWDRWAQFXTAPE-BVBHFADKSA-N -1 0 343.467 3.747 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(C3CCC3)cc2)[C@@H]2CCC[C@H]21 ZINC000630286972 975230873 /nfs/dbraw/zinc/23/08/73/975230873.db2.gz VAWQJIBTHJTXSX-RCCFBDPRSA-N -1 0 327.424 3.670 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1[C@H](C)C[C@H](c2ccccc2)[C@@H]1C ZINC000630295733 975235871 /nfs/dbraw/zinc/23/58/71/975235871.db2.gz VBWRVUZMIVRGHX-XUJVJEKNSA-N -1 0 327.380 3.693 20 0 EHADRM Cc1ccc(SC[C@H](C)NC(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000630297140 975236556 /nfs/dbraw/zinc/23/65/56/975236556.db2.gz LXSKYXJHCOZUDB-AWEZNQCLSA-N -1 0 343.448 3.533 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)NCc1ccc(Sc2ccccc2)cc1 ZINC000630297622 975237182 /nfs/dbraw/zinc/23/71/82/975237182.db2.gz LCAYPQOVKDGLBU-AWEZNQCLSA-N -1 0 343.448 3.955 20 0 EHADRM Cc1cc(C)c2c(c1)CN(C(=O)CCc1ccccc1C(=O)[O-])CC2 ZINC000630302262 975240363 /nfs/dbraw/zinc/24/03/63/975240363.db2.gz ZCYIGHVUCUOZAM-UHFFFAOYSA-N -1 0 337.419 3.519 20 0 EHADRM O=C([O-])C12CCC(CC1)N2C(=O)c1cc(Cl)cc2ccccc21 ZINC000630323203 975251456 /nfs/dbraw/zinc/25/14/56/975251456.db2.gz XFGCXYXJFOZWQU-UHFFFAOYSA-N -1 0 329.783 3.715 20 0 EHADRM CCc1nc2ccc(C(=O)Nc3cccc(C(=O)[O-])c3)cc2nc1CC ZINC000642146251 975288174 /nfs/dbraw/zinc/28/81/74/975288174.db2.gz OQBVVBUNVJJMBQ-UHFFFAOYSA-N -1 0 349.390 3.705 20 0 EHADRM C[C@@H](Nc1ccc(C(=O)[O-])cn1)c1ccc(OCC(F)(F)F)cc1 ZINC000647446442 975359266 /nfs/dbraw/zinc/35/92/66/975359266.db2.gz VCIPFEQDIVPLLS-SNVBAGLBSA-N -1 0 340.301 3.894 20 0 EHADRM C[C@@H](Nc1ncc(C(=O)[O-])cc1Cl)[C@@H]1OCCc2sccc21 ZINC000647455722 975364660 /nfs/dbraw/zinc/36/46/60/975364660.db2.gz LJVHFLHWOYMUIQ-OQPBUACISA-N -1 0 338.816 3.609 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000648333490 975381008 /nfs/dbraw/zinc/38/10/08/975381008.db2.gz ZPVUUBBLODSTNY-UHFFFAOYSA-N -1 0 341.407 3.872 20 0 EHADRM Cc1cccc2sc(C(=O)N[C@H]3CCC[C@H]3C(=O)[O-])c(Cl)c21 ZINC000648353895 975383165 /nfs/dbraw/zinc/38/31/65/975383165.db2.gz PQYYWBNIHDRSKH-ZJUUUORDSA-N -1 0 337.828 3.846 20 0 EHADRM CCCc1ccc(CCCC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000649240142 975384247 /nfs/dbraw/zinc/38/42/47/975384247.db2.gz GILAFVMQNYXVFI-GOSISDBHSA-N -1 0 343.467 3.675 20 0 EHADRM CCCc1ccc(C(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)cc1 ZINC000649252945 975390117 /nfs/dbraw/zinc/39/01/17/975390117.db2.gz BFYFCKPYABCBPI-OAQYLSRUSA-N -1 0 337.419 3.508 20 0 EHADRM CC[C@H](CNC(=O)c1ccc(SCc2ccccc2)cc1)C(=O)[O-] ZINC000649261705 975404164 /nfs/dbraw/zinc/40/41/64/975404164.db2.gz OTPDZBRJIOVVJY-OAHLLOKOSA-N -1 0 343.448 3.820 20 0 EHADRM CO[C@@H](C[N@H+](CCC(=O)[O-])Cc1cccc(F)c1F)c1ccccc1 ZINC000652483680 975552462 /nfs/dbraw/zinc/55/24/62/975552462.db2.gz XCLMMMCQBWXMOC-KRWDZBQOSA-N -1 0 349.377 3.629 20 0 EHADRM CCCOc1ccc(NC(=O)c2cccc(CC(=O)[O-])c2)c(C)c1 ZINC000653638797 975602372 /nfs/dbraw/zinc/60/23/72/975602372.db2.gz FZXWSYRLGSVNHS-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000653644611 975614073 /nfs/dbraw/zinc/61/40/73/975614073.db2.gz ZMUXWTWOCWCGDI-VAMGGRTRSA-N -1 0 349.430 3.722 20 0 EHADRM Cc1nc(NC(=O)CCCCC(=O)[O-])sc1Cc1cccc(C)c1 ZINC000655548584 975626174 /nfs/dbraw/zinc/62/61/74/975626174.db2.gz HHABHPBIUQXQJM-UHFFFAOYSA-N -1 0 346.452 3.934 20 0 EHADRM CC(C)OCCC(=O)Nc1ccc(Oc2ccccc2)cc1C(=O)[O-] ZINC001591719299 975638558 /nfs/dbraw/zinc/63/85/58/975638558.db2.gz IIGUCBVMBUAYPH-UHFFFAOYSA-N -1 0 343.379 3.931 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)NCCc1cccc(-c2ccccc2)c1 ZINC000656236818 975651860 /nfs/dbraw/zinc/65/18/60/975651860.db2.gz GQPUDYVBGQFSIR-OAHLLOKOSA-N -1 0 325.408 3.513 20 0 EHADRM O=C([O-])c1cccc(CN2CCOC[C@H]2c2cccc(F)c2)c1Cl ZINC000656766513 975699709 /nfs/dbraw/zinc/69/97/09/975699709.db2.gz WJHCEHDJZSQYBN-INIZCTEOSA-N -1 0 349.789 3.751 20 0 EHADRM CC(C)OCc1ccc(C(=O)Nc2c(F)ccc(F)c2C(=O)[O-])cc1 ZINC001591730857 975700146 /nfs/dbraw/zinc/70/01/46/975700146.db2.gz GKUMLYOLEHZEHK-UHFFFAOYSA-N -1 0 349.333 3.840 20 0 EHADRM CC(C)OCc1ccc(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC001591730997 975703202 /nfs/dbraw/zinc/70/32/02/975703202.db2.gz JPCLJXAFMYMDFD-LBPRGKRZSA-N -1 0 332.352 3.821 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2cc(C(=O)[O-])oc2C)o1 ZINC000659122257 975722123 /nfs/dbraw/zinc/72/21/23/975722123.db2.gz CQBIHLWZKYHIQC-YGRLFVJLSA-N -1 0 331.368 3.801 20 0 EHADRM CC1=CC[C@@](C)(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)CC1 ZINC000659138127 975738291 /nfs/dbraw/zinc/73/82/91/975738291.db2.gz FGLIMFLLTXAVLU-QGZVFWFLSA-N -1 0 337.803 3.878 20 0 EHADRM CC[C@@H]1CN(C(=O)c2cc(C(=O)[O-])oc2C)CC[C@@H]1c1ccccc1 ZINC000659140279 975740765 /nfs/dbraw/zinc/74/07/65/975740765.db2.gz MNHMLPMILRQISK-ZBFHGGJFSA-N -1 0 341.407 3.942 20 0 EHADRM CC(C)Oc1c(NC(=O)[C@@H]2CC3CCC2CC3)cccc1C(=O)[O-] ZINC001591742366 975760800 /nfs/dbraw/zinc/76/08/00/975760800.db2.gz XXFBHAAICQILIG-SSDMNJCBSA-N -1 0 331.412 3.937 20 0 EHADRM CC(C)Oc1c(NC(=O)N[C@H](C)c2ccns2)cccc1C(=O)[O-] ZINC001591743877 975764342 /nfs/dbraw/zinc/76/43/42/975764342.db2.gz GBJLUKODCJQSDZ-SNVBAGLBSA-N -1 0 349.412 3.511 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC000659168701 975768366 /nfs/dbraw/zinc/76/83/66/975768366.db2.gz QQMZDMLBMSFRPI-MJBXVCDLSA-N -1 0 349.393 3.705 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)c1cc(C2CC2)nc2ccc(C)cc21)C(=O)[O-] ZINC000339363178 1014283290 /nfs/dbraw/zinc/28/32/90/1014283290.db2.gz SAUMVNSLWVKBGS-XIKOKIGWSA-N -1 0 340.423 3.650 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc3c(c2)CCC=C3)[C@H]2CCCC[C@@H]12 ZINC000659189875 975785959 /nfs/dbraw/zinc/78/59/59/975785959.db2.gz HWLGCTDLFXIASV-OTWHNJEPSA-N -1 0 339.435 3.752 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(F)c(Cl)c2)[C@@H]2CCCC[C@H]12 ZINC000659191592 975789482 /nfs/dbraw/zinc/78/94/82/975789482.db2.gz LYUQNGMWHOYAOM-LALPHHSUSA-N -1 0 339.794 3.585 20 0 EHADRM CCCc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)cc1 ZINC000659192034 975789605 /nfs/dbraw/zinc/78/96/05/975789605.db2.gz FKEZRESJQMBNEF-FGTMMUONSA-N -1 0 329.440 3.745 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(F)c(Cl)c2)[C@H]2CCCC[C@H]12 ZINC000659191590 975789693 /nfs/dbraw/zinc/78/96/93/975789693.db2.gz LYUQNGMWHOYAOM-JMSVASOKSA-N -1 0 339.794 3.585 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(Cl)c(F)c2)[C@H]2CCCC[C@@H]12 ZINC000659195922 975799441 /nfs/dbraw/zinc/79/94/41/975799441.db2.gz ZSOGMBORWVELTM-ZOWXZIJZSA-N -1 0 339.794 3.585 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCCc2ccccc2)[C@@H]2CCCC[C@@H]12 ZINC000659197005 975802683 /nfs/dbraw/zinc/80/26/83/975802683.db2.gz ZEEBABITRLUKJP-RCCFBDPRSA-N -1 0 329.440 3.501 20 0 EHADRM C[C@@H](C(=O)NC[C@H](CC(=O)[O-])C1CC1)c1c(Cl)cccc1Cl ZINC000659208169 975817754 /nfs/dbraw/zinc/81/77/54/975817754.db2.gz FOFKTXOEOTZUIH-KOLCDFICSA-N -1 0 344.238 3.714 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N1CCCC[C@H]1CC1CCC1 ZINC000659233489 975842402 /nfs/dbraw/zinc/84/24/02/975842402.db2.gz XSQNTQFVGFMNJN-KRWDZBQOSA-N -1 0 329.440 3.889 20 0 EHADRM CC(C)Oc1ccc(C(=O)NC2(CCC(=O)[O-])CCCCC2)cc1 ZINC001591760949 975844261 /nfs/dbraw/zinc/84/42/61/975844261.db2.gz CPQYRQVTXFGREW-UHFFFAOYSA-N -1 0 333.428 3.771 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1CCC(F)(F)C1 ZINC001591761202 975847180 /nfs/dbraw/zinc/84/71/80/975847180.db2.gz JAGCDIDFMIRZQM-LLVKDONJSA-N -1 0 327.327 3.546 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NC[C@@H](C)C(C)(C)C ZINC001591767787 975882756 /nfs/dbraw/zinc/88/27/56/975882756.db2.gz QPQKIGACPFIGIS-GFCCVEGCSA-N -1 0 336.432 3.976 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NCc1cccs1 ZINC001591769647 975894598 /nfs/dbraw/zinc/89/45/98/975894598.db2.gz SYPJXANDKCKVOX-UHFFFAOYSA-N -1 0 334.397 3.555 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)Cc2ccccc21 ZINC000663135795 975933088 /nfs/dbraw/zinc/93/30/88/975933088.db2.gz UVCKLFDLXMWCHF-YCEFEEMOSA-N -1 0 341.451 3.804 20 0 EHADRM CC(C)(c1ccc(NC(=O)NCC2(C(=O)[O-])CC2)cc1)C(F)(F)F ZINC000663369109 975948536 /nfs/dbraw/zinc/94/85/36/975948536.db2.gz RNOJPIIIXINNMI-UHFFFAOYSA-N -1 0 344.333 3.513 20 0 EHADRM O=C([O-])CCCCNC(=O)N1CCc2c1cccc2-c1ccccc1 ZINC000666561597 975972765 /nfs/dbraw/zinc/97/27/65/975972765.db2.gz HQGHJKFSJAFFAM-UHFFFAOYSA-N -1 0 338.407 3.681 20 0 EHADRM CC[C@H](C)[C@H](OC)C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000668288280 975986727 /nfs/dbraw/zinc/98/67/27/975986727.db2.gz UZWDFMYEUSWAIV-IXDGSTSKSA-N -1 0 343.423 3.533 20 0 EHADRM CC[C@H](c1cccc(OC)c1)N(C)C(=O)Cc1ccccc1C(=O)[O-] ZINC000668299138 975991046 /nfs/dbraw/zinc/99/10/46/975991046.db2.gz VPURRNTUVFMQKN-GOSISDBHSA-N -1 0 341.407 3.546 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N[C@H]1CCCc2ccc(F)cc21 ZINC000668301627 975991682 /nfs/dbraw/zinc/99/16/82/975991682.db2.gz OGIIDSIRCPQRRO-SFHVURJKSA-N -1 0 341.382 3.650 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H](c3ccc(F)cc3)CC2)C1 ZINC000668314325 975993473 /nfs/dbraw/zinc/99/34/73/975993473.db2.gz MMNDAHNUECBQBE-USXIJHARSA-N -1 0 347.430 3.813 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N1CCC2(CCC2)CC1)C(=O)[O-] ZINC000668313928 975993529 /nfs/dbraw/zinc/99/35/29/975993529.db2.gz DDGLMCHEKBGGBD-CYBMUJFWSA-N -1 0 333.453 3.658 20 0 EHADRM Cc1ccc([C@H]2CCN(C(=O)Cc3ccccc3C(=O)[O-])C2)c(C)c1 ZINC000668322477 975997554 /nfs/dbraw/zinc/99/75/54/975997554.db2.gz WUQDVVFXLCCNAC-KRWDZBQOSA-N -1 0 337.419 3.560 20 0 EHADRM CN(C(=O)Cc1cccc(C(=O)[O-])c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000668324268 975999096 /nfs/dbraw/zinc/99/90/96/975999096.db2.gz PLHQIKSXPDAZDI-OKILXGFUSA-N -1 0 343.345 3.507 20 0 EHADRM CC(C)Oc1ccccc1CNCc1ccccc1O[C@H](C)C(=O)[O-] ZINC001591804815 976032539 /nfs/dbraw/zinc/03/25/39/976032539.db2.gz YSNTWBXZDFDBHI-OAHLLOKOSA-N -1 0 343.423 3.616 20 0 EHADRM O=C([O-])CC1(CNC(=O)C2(c3ccc(F)cc3)CCC2)CCCCC1 ZINC000679098217 976042089 /nfs/dbraw/zinc/04/20/89/976042089.db2.gz SCMUDUUUZYMMQG-UHFFFAOYSA-N -1 0 347.430 3.789 20 0 EHADRM Cc1ccc(-c2nc(C(=O)N3CCCC[C@H]3CC(=O)[O-])cs2)cc1 ZINC000679397693 976050673 /nfs/dbraw/zinc/05/06/73/976050673.db2.gz QRYWJHDDLZSMEV-AWEZNQCLSA-N -1 0 344.436 3.588 20 0 EHADRM COc1ccc2oc(CN[C@H](C(=O)[O-])c3cc(F)ccc3F)cc2c1 ZINC000683174576 976079582 /nfs/dbraw/zinc/07/95/82/976079582.db2.gz ULYSBJHUMDIISK-KRWDZBQOSA-N -1 0 347.317 3.635 20 0 EHADRM CC(C)Sc1ccc(Cl)cc1NC(=O)NOCCCC(=O)[O-] ZINC001591829157 976090210 /nfs/dbraw/zinc/09/02/10/976090210.db2.gz FYAHXOAKJNXPSV-UHFFFAOYSA-N -1 0 346.836 3.758 20 0 EHADRM CCc1ccc([C@H](C)C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000685023884 976095367 /nfs/dbraw/zinc/09/53/67/976095367.db2.gz DNQBLTKIMHPFED-BTYIYWSLSA-N -1 0 339.435 3.511 20 0 EHADRM CC(C)c1[nH]ccc1C(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21 ZINC001591918860 976386837 /nfs/dbraw/zinc/38/68/37/976386837.db2.gz YTTNCRAKUOQHRC-ZUOKHONESA-N -1 0 340.423 3.745 20 0 EHADRM CC(C)c1c(C(=O)Nc2ccc(C(=O)[O-])cc2)cnn1-c1ccccc1 ZINC001591923448 976400410 /nfs/dbraw/zinc/40/04/10/976400410.db2.gz PNCUCLYMQQYQPL-UHFFFAOYSA-N -1 0 349.390 3.946 20 0 EHADRM CC(C)c1cc(=O)oc2cc(OCc3ccoc3C(=O)[O-])ccc21 ZINC001591925950 976412768 /nfs/dbraw/zinc/41/27/68/976412768.db2.gz MRZKIHCBTAFAIT-UHFFFAOYSA-N -1 0 328.320 3.787 20 0 EHADRM CC(C)c1cc(C(=O)Oc2cccc(C(=O)[O-])c2)nn1C(C)(C)C ZINC001591931213 976434516 /nfs/dbraw/zinc/43/45/16/976434516.db2.gz MAJAWGFUHYYJRK-UHFFFAOYSA-N -1 0 330.384 3.679 20 0 EHADRM CC(C)c1ccc(-c2nnc(SCc3oncc3C(=O)[O-])o2)cc1 ZINC001591936308 976458253 /nfs/dbraw/zinc/45/82/53/976458253.db2.gz SZRDYYRJTBTLSA-UHFFFAOYSA-N -1 0 345.380 3.839 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])c(O)c1 ZINC001591942117 976465294 /nfs/dbraw/zinc/46/52/94/976465294.db2.gz MBNJFQINOJJMRR-MRXNPFEDSA-N -1 0 333.428 3.669 20 0 EHADRM CC(C)c1ccc(C2(C(=O)N[C@@H](CF)C(=O)[O-])CCCCC2)cc1 ZINC001591948293 976497974 /nfs/dbraw/zinc/49/79/74/976497974.db2.gz DHEJNCWFJYTGKW-INIZCTEOSA-N -1 0 335.419 3.551 20 0 EHADRM CC(C)c1ccc(NC(=O)/C=C/C2(C)CCOCC2)c(C(=O)[O-])c1 ZINC001591962672 976549268 /nfs/dbraw/zinc/54/92/68/976549268.db2.gz OEAPUPBGVIFBOS-VOTSOKGWSA-N -1 0 331.412 3.820 20 0 EHADRM CC(C)c1ccc(OCCC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001591974431 976588222 /nfs/dbraw/zinc/58/82/22/976588222.db2.gz WSFAACGIAVZAHP-LJQANCHMSA-N -1 0 347.455 3.729 20 0 EHADRM CC(C)c1cccc(C(=O)N[C@@](C)(Cc2ccc(F)cc2)C(=O)[O-])c1 ZINC001591983185 976602495 /nfs/dbraw/zinc/60/24/95/976602495.db2.gz LEAMJCKNMWLJAH-FQEVSTJZSA-N -1 0 343.398 3.765 20 0 EHADRM CC(C)c1cccc(C(C)C)c1NC(=S)NC[C@H](F)C(=O)[O-] ZINC001591988196 976616985 /nfs/dbraw/zinc/61/69/85/976616985.db2.gz YQKCJRMZZSEUCT-ZDUSSCGKSA-N -1 0 326.437 3.643 20 0 EHADRM CC(C)c1cccc(OCC(=O)NCCCCC2(C(=O)[O-])CCC2)c1 ZINC001591994171 976628429 /nfs/dbraw/zinc/62/84/29/976628429.db2.gz HFGUXNRLUDNGOE-UHFFFAOYSA-N -1 0 347.455 3.730 20 0 EHADRM CC(C)c1ccccc1Nc1ccc(C(=O)NC[C@H](F)C(=O)[O-])cc1 ZINC001591997575 976642937 /nfs/dbraw/zinc/64/29/37/976642937.db2.gz CRDORMAOCDMASX-INIZCTEOSA-N -1 0 344.386 3.706 20 0 EHADRM CC(C)c1ccccc1OCCC(=O)N[C@@H](CC(C)(C)C)C(=O)[O-] ZINC001592004983 976670599 /nfs/dbraw/zinc/67/05/99/976670599.db2.gz ZEKDINXCXZGGLZ-HNNXBMFYSA-N -1 0 335.444 3.585 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)N[C@H]3CCC[C@H]3C(=O)[O-])cc2s1 ZINC001592031354 976739682 /nfs/dbraw/zinc/73/96/82/976739682.db2.gz CJFFOFQNTCEVIK-NEPJUHHUSA-N -1 0 347.440 3.795 20 0 EHADRM CC(C)c1ncsc1NC(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC001592042883 976772478 /nfs/dbraw/zinc/77/24/78/976772478.db2.gz XOVCJOQNBNVSHV-RISCZKNCSA-N -1 0 347.440 3.850 20 0 EHADRM CC(C)n1ncnc1CSCc1ccc(C(=O)[O-])c2cccnc12 ZINC001592171707 977074860 /nfs/dbraw/zinc/07/48/60/977074860.db2.gz NXQRKUQSDLAJQX-UHFFFAOYSA-N -1 0 342.424 3.539 20 0 EHADRM C[C@H](/C=C\C(=O)[O-])NC(=O)[C@@H]1CCC(C)(C)C[C@H]1c1ccccc1 ZINC001592189660 977121073 /nfs/dbraw/zinc/12/10/73/977121073.db2.gz AWTSDOINZWKPKE-CKHREZKDSA-N -1 0 329.440 3.742 20 0 EHADRM C[C@H](/C=C/C(=O)[O-])NC(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1 ZINC001592193915 977156099 /nfs/dbraw/zinc/15/60/99/977156099.db2.gz RYYNPLGFAAVDOC-DIVIXNDVSA-N -1 0 345.395 3.713 20 0 EHADRM C[C@@H](CC(=O)N1C[C@H](C(=O)[O-])Cc2ccccc21)c1cccc(F)c1 ZINC001592227874 977426993 /nfs/dbraw/zinc/42/69/93/977426993.db2.gz UDKUQPCBZNBRRG-XJKSGUPXSA-N -1 0 341.382 3.609 20 0 EHADRM C[C@@H](CC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21)c1c[nH]c2ccccc21 ZINC001592228177 977429039 /nfs/dbraw/zinc/42/90/39/977429039.db2.gz ZSOYFSMSSZWPTQ-SUMWQHHRSA-N -1 0 348.402 3.877 20 0 EHADRM CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NC(=O)[C@@H](C)CC(=O)[O-] ZINC001592344661 977801012 /nfs/dbraw/zinc/80/10/12/977801012.db2.gz CWDNXWQAGZLGBN-YVEFUNNKSA-N -1 0 325.836 3.524 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)O[C@@H]1CCOc2cc(Cl)cc(Cl)c21 ZINC001592394711 977947212 /nfs/dbraw/zinc/94/72/12/977947212.db2.gz DQFJCCFFCNPETO-GZMMTYOYSA-N -1 0 347.194 3.861 20 0 EHADRM C[C@H](CC(=O)[O-])c1nc(-c2ccc(-n3cnc4ccccc43)cc2)no1 ZINC001592423790 978040862 /nfs/dbraw/zinc/04/08/62/978040862.db2.gz HHYMJDFTMMMSMD-GFCCVEGCSA-N -1 0 348.362 3.654 20 0 EHADRM C[C@@H](CC(=O)[O-])c1nnc(COc2ccccc2-c2ccccc2)o1 ZINC001592423813 978042008 /nfs/dbraw/zinc/04/20/08/978042008.db2.gz HPWKTGOQYPJCCM-ZDUSSCGKSA-N -1 0 338.363 3.894 20 0 EHADRM C[C@@H](CC(=O)[O-])c1nc([C@@H](F)c2ccc(C(F)(F)F)cc2)no1 ZINC001592425026 978048720 /nfs/dbraw/zinc/04/87/20/978048720.db2.gz ZVSCJADVJLVJQK-CPCISQLKSA-N -1 0 332.253 3.726 20 0 EHADRM C[C@H](OC(=O)c1cc(Cl)nc(Cl)c1)c1ccc(C(=O)[O-])o1 ZINC000736692756 978348939 /nfs/dbraw/zinc/34/89/39/978348939.db2.gz XDUXGHNIFYUHEN-LURJTMIESA-N -1 0 330.123 3.598 20 0 EHADRM CCC[C@](C)(NC(=O)[C@@H](C)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000736953774 978369285 /nfs/dbraw/zinc/36/92/85/978369285.db2.gz DDRAHPQYXILGDW-VFZGTOFNSA-N -1 0 332.227 3.857 20 0 EHADRM CCN(C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)c1ccccc1C(=O)[O-] ZINC000737051696 978377332 /nfs/dbraw/zinc/37/73/32/978377332.db2.gz BBAJWPGDLYWQKZ-HIFRSBDPSA-N -1 0 345.345 3.820 20 0 EHADRM CCOc1ccc(SCC(=O)Oc2ccc(C)cc2C(=O)[O-])cc1 ZINC000737209651 978388977 /nfs/dbraw/zinc/38/89/77/978388977.db2.gz AKKVSUPPKVHCNS-UHFFFAOYSA-N -1 0 346.404 3.790 20 0 EHADRM C[C@H](CCc1ccc(F)cc1)C(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001592537222 978411142 /nfs/dbraw/zinc/41/11/42/978411142.db2.gz HZTMECXEZVACCH-CYBMUJFWSA-N -1 0 341.382 3.682 20 0 EHADRM C[C@@H](CCOc1ccccc1)C(=O)O[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001592538829 978416806 /nfs/dbraw/zinc/41/68/06/978416806.db2.gz XNYDQMLPPWKOPE-STQMWFEESA-N -1 0 332.352 3.687 20 0 EHADRM CC(C)(NC(=O)c1cc(-c2cccs2)nc2ccccc21)C(=O)[O-] ZINC000737597343 978421783 /nfs/dbraw/zinc/42/17/83/978421783.db2.gz FNKDWOFUXSFTML-UHFFFAOYSA-N -1 0 340.404 3.556 20 0 EHADRM C[C@@H](CCc1ccccc1)NC(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001592540236 978422802 /nfs/dbraw/zinc/42/28/02/978422802.db2.gz IQWAZWOEAGHDLL-NSHDSACASA-N -1 0 347.802 3.576 20 0 EHADRM Cc1ccc(OC(=O)[C@H](C)SCc2ccccc2)c(C(=O)[O-])c1 ZINC000738635965 978578233 /nfs/dbraw/zinc/57/82/33/978578233.db2.gz JJDDWMMXBPZFBP-ZDUSSCGKSA-N -1 0 330.405 3.921 20 0 EHADRM Cc1ccc(OC(=O)[C@@H](C)SCc2ccccc2)c(C(=O)[O-])c1 ZINC000738635964 978578253 /nfs/dbraw/zinc/57/82/53/978578253.db2.gz JJDDWMMXBPZFBP-CYBMUJFWSA-N -1 0 330.405 3.921 20 0 EHADRM CC(C)(C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)C1CCCCC1 ZINC001592636481 978619003 /nfs/dbraw/zinc/61/90/03/978619003.db2.gz WTJLPFVQQMSASD-HXUWFJFHSA-N -1 0 331.456 3.752 20 0 EHADRM CC(C)c1nn(C)c(Cl)c1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000274673422 1014519169 /nfs/dbraw/zinc/51/91/69/1014519169.db2.gz INLRUVLSWATCCD-UHFFFAOYSA-N -1 0 346.189 3.947 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC000761653285 978713657 /nfs/dbraw/zinc/71/36/57/978713657.db2.gz XVOHJJGCDBYTNI-FQEVSTJZSA-N -1 0 339.391 3.888 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H]2/C=C\c2ccccc2)C1 ZINC000762345502 978720005 /nfs/dbraw/zinc/72/00/05/978720005.db2.gz KOAGJBWLODCCEW-AMZBRUSGSA-N -1 0 327.424 3.582 20 0 EHADRM O=C([O-])c1ccc(/C=C2/C(=O)Nc3cc(Br)ccc32)cc1 ZINC000774559286 978747038 /nfs/dbraw/zinc/74/70/38/978747038.db2.gz OJEGUZDUDCYLIX-NTUHNPAUSA-N -1 0 344.164 3.640 20 0 EHADRM Cc1cc2[nH]c(C(=O)N3CCC[C@H](C(C)(C)C(=O)[O-])C3)cc2c(C)c1 ZINC000777397396 978780476 /nfs/dbraw/zinc/78/04/76/978780476.db2.gz LEQAHILEHKCPPB-AWEZNQCLSA-N -1 0 342.439 3.748 20 0 EHADRM O=C([O-])CCCC(=O)Nc1cc(Cl)ccc1OC1CCCC1 ZINC000777404172 978781449 /nfs/dbraw/zinc/78/14/49/978781449.db2.gz VWHFVSLUJGVDGJ-UHFFFAOYSA-N -1 0 325.792 3.855 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000811818105 978862384 /nfs/dbraw/zinc/86/23/84/978862384.db2.gz GEHAVILHGUKILI-SNVBAGLBSA-N -1 0 333.771 3.998 20 0 EHADRM Cc1ccc(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)cc1Cl ZINC000818784403 978922910 /nfs/dbraw/zinc/92/29/10/978922910.db2.gz FLWNJSVNGWSVCO-UHFFFAOYSA-N -1 0 342.782 3.940 20 0 EHADRM Cc1ccc(C(=O)Nc2c(C)c(Br)ccc2C(=O)[O-])o1 ZINC000832913742 979055340 /nfs/dbraw/zinc/05/53/40/979055340.db2.gz WZVLYRBGRQTMKG-UHFFFAOYSA-N -1 0 338.157 3.609 20 0 EHADRM Cc1ccc(CC[C@H](C)NC(=O)Nc2cc(C(=O)[O-])ccc2F)o1 ZINC000832929756 979056858 /nfs/dbraw/zinc/05/68/58/979056858.db2.gz DMLGPJLRVHCIEH-JTQLQIEISA-N -1 0 334.347 3.568 20 0 EHADRM CC[C@@H](C)n1nccc1C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001595029060 979155781 /nfs/dbraw/zinc/15/57/81/979155781.db2.gz TYEYYWVIOBMGEU-MRVPVSSYSA-N -1 0 339.754 3.597 20 0 EHADRM CC[C@H](CC(=O)Nc1cc2c(cc1C(=O)[O-])OCCCO2)C(C)(C)C ZINC001595037174 979204071 /nfs/dbraw/zinc/20/40/71/979204071.db2.gz RPRWLSMVJWJBAM-GFCCVEGCSA-N -1 0 349.427 3.947 20 0 EHADRM CC[C@@H](CC(=O)Nc1sccc1C(=O)[O-])c1ccc(OC)cc1 ZINC001595037237 979204852 /nfs/dbraw/zinc/20/48/52/979204852.db2.gz UZYFNUIUYHIWBM-NSHDSACASA-N -1 0 333.409 3.977 20 0 EHADRM CCC(CC)(CC(=O)[O-])C(=O)OCc1ncc(-c2ccc(F)cc2)o1 ZINC001595048987 979271567 /nfs/dbraw/zinc/27/15/67/979271567.db2.gz YFTUCGDGDZIVDG-UHFFFAOYSA-N -1 0 349.358 3.805 20 0 EHADRM CC(C)c1nn(C)c(Cl)c1C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000840943794 979281766 /nfs/dbraw/zinc/28/17/66/979281766.db2.gz NWVCRTQZUZQGMM-JTQLQIEISA-N -1 0 349.818 3.637 20 0 EHADRM O=C([O-])CCCCNC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000840984273 979287161 /nfs/dbraw/zinc/28/71/61/979287161.db2.gz BRAUEZCFIFKWMI-SFHVURJKSA-N -1 0 332.444 3.862 20 0 EHADRM CCc1occc1C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC000841502518 979304768 /nfs/dbraw/zinc/30/47/68/979304768.db2.gz IANDXODVIVBLRM-UHFFFAOYSA-N -1 0 342.395 3.783 20 0 EHADRM CCC(CC)(CNC(=O)[C@@H](C)c1cccc(CC(C)C)c1)C(=O)[O-] ZINC001595064864 979329378 /nfs/dbraw/zinc/32/93/78/979329378.db2.gz QWFWYKBSPXKVBQ-HNNXBMFYSA-N -1 0 333.472 3.996 20 0 EHADRM CCC(CC)(NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C)C(=O)[O-] ZINC001595092837 979387065 /nfs/dbraw/zinc/38/70/65/979387065.db2.gz HXHGLYREOYJVSD-AWEZNQCLSA-N -1 0 335.444 3.645 20 0 EHADRM Cc1cccc(C(NC(=O)CCCC(=O)[O-])c2cccc(C)c2)c1 ZINC000844249399 979393504 /nfs/dbraw/zinc/39/35/04/979393504.db2.gz PBPATIRMXLOSKR-UHFFFAOYSA-N -1 0 325.408 3.764 20 0 EHADRM O=C([O-])CCCC(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000844250121 979393847 /nfs/dbraw/zinc/39/38/47/979393847.db2.gz HXQTUQQQUPDRED-INIZCTEOSA-N -1 0 335.450 3.539 20 0 EHADRM CCC(CC)[C@@H](C)C(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001595105266 979421480 /nfs/dbraw/zinc/42/14/80/979421480.db2.gz HVRQYDKNXDAETA-MLGOLLRUSA-N -1 0 331.412 3.617 20 0 EHADRM C[C@H](c1ccc(Oc2ccccc2)cc1)S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC001592788153 979428249 /nfs/dbraw/zinc/42/82/49/979428249.db2.gz PBYQFWWTUJWMEU-ZIAGYGMSSA-N -1 0 348.420 3.675 20 0 EHADRM CCC(CC)CN(CC)C(=O)Nc1cnc(C(=O)[O-])c(Cl)c1 ZINC001595111561 979458140 /nfs/dbraw/zinc/45/81/40/979458140.db2.gz MBYGXTMDFJJQJK-UHFFFAOYSA-N -1 0 327.812 3.723 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC001595121853 979497276 /nfs/dbraw/zinc/49/72/76/979497276.db2.gz XVRFBVJQYQQZMM-UHFFFAOYSA-N -1 0 341.407 3.882 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001595125631 979508337 /nfs/dbraw/zinc/50/83/37/979508337.db2.gz DHQMPCLRTSELRW-QXAKKESOSA-N -1 0 343.467 3.920 20 0 EHADRM CC[C@H](NC(=O)c1ccc(/C=C/C(=O)[O-])o1)C(C)(C)c1ccccc1 ZINC000851597284 979512791 /nfs/dbraw/zinc/51/27/91/979512791.db2.gz WTPFLAPTYGAJGX-HVJHFUJKSA-N -1 0 341.407 3.864 20 0 EHADRM O=C([O-])c1cc(NC(=O)C[C@]23CCCC[C@H]2C3(F)F)ccc1F ZINC000851598267 979515956 /nfs/dbraw/zinc/51/59/56/979515956.db2.gz POIFOWJYUSNZKN-IUODEOHRSA-N -1 0 327.302 3.678 20 0 EHADRM CC(C)c1ccccc1C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000851604856 979529138 /nfs/dbraw/zinc/52/91/38/979529138.db2.gz FITBHAHNRLCIPM-QGZVFWFLSA-N -1 0 329.371 3.547 20 0 EHADRM C/C(=C/C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21)c1ccc(F)cc1 ZINC000851619299 979546490 /nfs/dbraw/zinc/54/64/90/979546490.db2.gz TXGGZZLMUKZCME-MDLDLJBGSA-N -1 0 345.414 3.721 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001592830425 979555119 /nfs/dbraw/zinc/55/51/19/979555119.db2.gz SBXVYVYASQWYDC-CQSZACIVSA-N -1 0 335.469 3.566 20 0 EHADRM C[C@H](CSc1ccccc1)N(C)C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001592832971 979567274 /nfs/dbraw/zinc/56/72/74/979567274.db2.gz YRRGMQVGWDYORE-LJTDUEICSA-N -1 0 345.420 3.630 20 0 EHADRM CC[C@H](CNC(=O)C(CC)(CC)c1ccc(Cl)cc1)C(=O)[O-] ZINC001595134735 979569218 /nfs/dbraw/zinc/56/92/18/979569218.db2.gz CCQFSMQDGGYYOV-GFCCVEGCSA-N -1 0 325.836 3.625 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001592839882 979601319 /nfs/dbraw/zinc/60/13/19/979601319.db2.gz REXDKZXFMIGUQZ-VPUINMBXSA-N -1 0 347.798 3.734 20 0 EHADRM CC[C@](CNC(=O)Nc1cccc(F)c1C)(C(=O)[O-])c1ccccc1 ZINC001595154634 979660464 /nfs/dbraw/zinc/66/04/64/979660464.db2.gz NLHZSVPDZYDNGE-LJQANCHMSA-N -1 0 344.386 3.688 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)NCC(C)(C)C(F)(F)F)cc1)C(=O)[O-] ZINC001592865505 979706113 /nfs/dbraw/zinc/70/61/13/979706113.db2.gz CFCYUZOBMOCESP-SNVBAGLBSA-N -1 0 346.349 3.660 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)c1cc(OCc2ccccc2)cs1 ZINC000864114589 979706795 /nfs/dbraw/zinc/70/67/95/979706795.db2.gz YZIYLFLGHQPEJJ-UHFFFAOYSA-N -1 0 347.436 3.510 20 0 EHADRM Cc1ccc(C(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)cc1C(=O)[O-] ZINC000864127806 979728441 /nfs/dbraw/zinc/72/84/41/979728441.db2.gz HVWHKKNDYAHWIP-QGZVFWFLSA-N -1 0 341.382 3.680 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)CCc1ccc(F)c2ccccc12 ZINC000864132531 979734398 /nfs/dbraw/zinc/73/43/98/979734398.db2.gz ARYMYNNLCXNBOC-OAHLLOKOSA-N -1 0 343.398 3.767 20 0 EHADRM C[C@H](Cc1ccc(NC[C@H](O)Cc2cccc(Cl)c2)cc1)C(=O)[O-] ZINC001592877042 979743338 /nfs/dbraw/zinc/74/33/38/979743338.db2.gz HOYHDCOYFWTASB-FZKQIMNGSA-N -1 0 347.842 3.619 20 0 EHADRM C[C@H](Cc1ccc(NCc2ccc(F)c(F)c2N(C)C)cc1)C(=O)[O-] ZINC001592877583 979744797 /nfs/dbraw/zinc/74/47/97/979744797.db2.gz NGOBKRZPQQNVEO-GFCCVEGCSA-N -1 0 348.393 3.906 20 0 EHADRM CCN(C(=O)/C=C/c1cc(C(=O)[O-])co1)[C@@H](C)Cc1ccsc1 ZINC000864142769 979747846 /nfs/dbraw/zinc/74/78/46/979747846.db2.gz PZECCAIISUTHBW-ITKZLYELSA-N -1 0 333.409 3.532 20 0 EHADRM C[C@H](Cc1ccc(Nc2nnc(C(F)(F)F)s2)cc1)C(=O)[O-] ZINC001592881920 979750235 /nfs/dbraw/zinc/75/02/35/979750235.db2.gz BZPJLNKVDKLRMX-SSDOTTSWSA-N -1 0 331.319 3.564 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000864149639 979757917 /nfs/dbraw/zinc/75/79/17/979757917.db2.gz UNRJZXWQBVAWLE-UXHICEINSA-N -1 0 331.456 3.605 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)N(C)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001592884856 979766295 /nfs/dbraw/zinc/76/62/95/979766295.db2.gz DATLGLVZSWXACM-ZDUSSCGKSA-N -1 0 344.386 3.548 20 0 EHADRM CC(C)CN(Cc1ccccc1F)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000864159472 979773852 /nfs/dbraw/zinc/77/38/52/979773852.db2.gz UKGBKVMSKVGPOU-CSKARUKUSA-N -1 0 345.370 3.815 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001592890298 979776782 /nfs/dbraw/zinc/77/67/82/979776782.db2.gz FWGCCKAUBNEVEF-SNVBAGLBSA-N -1 0 335.762 3.995 20 0 EHADRM O=C([O-])C1=CC[C@H](NC(=O)CCCSc2ccc(Cl)cc2)C1 ZINC000864163035 979782116 /nfs/dbraw/zinc/78/21/16/979782116.db2.gz QJQKIKYQYLRHLH-ZDUSSCGKSA-N -1 0 339.844 3.502 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N[C@@H](C)Cc2ccccc2F)cc1 ZINC001592896604 979797473 /nfs/dbraw/zinc/79/74/73/979797473.db2.gz QENRKSPITFNKBE-QWHCGFSZSA-N -1 0 344.386 3.767 20 0 EHADRM CCCC[C@@](C)(F)C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC000864170387 979798158 /nfs/dbraw/zinc/79/81/58/979798158.db2.gz DOVZUBPMZWRMLF-QLJPJBMISA-N -1 0 329.343 3.535 20 0 EHADRM C[C@@H](Cc1cncc2ccccc21)C(=O)Nc1ccccc1C(=O)[O-] ZINC001592908580 979864531 /nfs/dbraw/zinc/86/45/31/979864531.db2.gz DMDLINIMCYYOLF-ZDUSSCGKSA-N -1 0 334.375 3.750 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)CCc1ccc(Cl)cc1Cl)C1CC1 ZINC000864198931 979871931 /nfs/dbraw/zinc/87/19/31/979871931.db2.gz OTTOBTZYIRQCSE-INIZCTEOSA-N -1 0 344.238 3.686 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N[C@](C)(CC(=O)[O-])C1CC1 ZINC000864199182 979872959 /nfs/dbraw/zinc/87/29/59/979872959.db2.gz DYQJIZDWKSTDGZ-OXQOHEQNSA-N -1 0 347.455 3.727 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)c2cnc3ccsc3c2)n1 ZINC000349040042 1014608605 /nfs/dbraw/zinc/60/86/05/1014608605.db2.gz QPQRWWHSWHJDMP-UHFFFAOYSA-N -1 0 339.467 3.506 20 0 EHADRM C/C(Cl)=C/C(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC001592913051 979883997 /nfs/dbraw/zinc/88/39/97/979883997.db2.gz SMQADSNJBMFKNV-FLIBITNWSA-N -1 0 346.814 3.715 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NCC2(c3cccc(Cl)c3)CCC2)C1 ZINC000864217498 979906906 /nfs/dbraw/zinc/90/69/06/979906906.db2.gz YIUUGHUJONTABC-KGLIPLIRSA-N -1 0 349.858 3.769 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)c1 ZINC000864229140 979923448 /nfs/dbraw/zinc/92/34/48/979923448.db2.gz SRPSNDTXBMWFPP-KURKYZTESA-N -1 0 341.382 3.570 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2CCCc3sccc32)c1 ZINC000864230407 979928009 /nfs/dbraw/zinc/92/80/09/979928009.db2.gz WVNRJTAOGOTZBK-HZPDHXFCSA-N -1 0 343.448 3.809 20 0 EHADRM Cc1cccc(Oc2cccc(NC(=O)N3CC[C@@H](C(=O)[O-])C3)c2)c1 ZINC000864608594 979950224 /nfs/dbraw/zinc/95/02/24/979950224.db2.gz RBDMLZATXQNONV-CQSZACIVSA-N -1 0 340.379 3.726 20 0 EHADRM Cc1sc(CN[C@@H](C(=O)[O-])c2cccs2)cc1Br ZINC000871877874 979980345 /nfs/dbraw/zinc/98/03/45/979980345.db2.gz XSZHYSXSEBSEJV-LLVKDONJSA-N -1 0 346.271 3.796 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001595210405 979984399 /nfs/dbraw/zinc/98/43/99/979984399.db2.gz FPWZXQZKXRDPGP-OAHLLOKOSA-N -1 0 343.398 3.717 20 0 EHADRM CC(F)(F)CC(=O)O[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001592935788 979997580 /nfs/dbraw/zinc/99/75/80/979997580.db2.gz LQBICUUNIDAXPG-JTQLQIEISA-N -1 0 327.110 3.708 20 0 EHADRM CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001595212818 980002514 /nfs/dbraw/zinc/00/25/14/980002514.db2.gz JHGVIHUERRPCOW-HNNXBMFYSA-N -1 0 326.396 3.836 20 0 EHADRM CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001595213395 980006209 /nfs/dbraw/zinc/00/62/09/980006209.db2.gz QQFATGFMKALAHI-GFCCVEGCSA-N -1 0 348.349 3.806 20 0 EHADRM CC(F)(F)c1c(F)cccc1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001592943623 980014731 /nfs/dbraw/zinc/01/47/31/980014731.db2.gz KJYLROCEUVVRJE-VHSXEESVSA-N -1 0 329.318 3.767 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)Nc1cccc(C(=O)[O-])c1OC ZINC001595217580 980027459 /nfs/dbraw/zinc/02/74/59/980027459.db2.gz CIOKREILGYTZML-AWEZNQCLSA-N -1 0 341.407 3.909 20 0 EHADRM CCc1ccc([C@@H]2CN(Cc3cc(C(=O)[O-])cs3)CCO2)cc1 ZINC000872158358 980041760 /nfs/dbraw/zinc/04/17/60/980041760.db2.gz BLBKUPFUOGOEMJ-KRWDZBQOSA-N -1 0 331.437 3.582 20 0 EHADRM CO[C@@H]1CC[C@H](C)N(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000872160258 980046488 /nfs/dbraw/zinc/04/64/88/980046488.db2.gz BZAJVCSFAWCHGU-BLLLJJGKSA-N -1 0 346.452 3.508 20 0 EHADRM CC1(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CC(F)(F)C1 ZINC000872712564 980092591 /nfs/dbraw/zinc/09/25/91/980092591.db2.gz SIWNLPRQUQYGEB-UHFFFAOYSA-N -1 0 325.336 3.973 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)[C@H]1CCC[C@H]1Cc1ccccc1)CC2 ZINC000872765490 980152811 /nfs/dbraw/zinc/15/28/11/980152811.db2.gz OWHVNGYEWQVUDY-UGNRZPKXSA-N -1 0 341.451 3.501 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)Nc1ccc(C)c(C(F)(F)F)c1)C(=O)[O-] ZINC000321392552 1014633851 /nfs/dbraw/zinc/63/38/51/1014633851.db2.gz YNCSGODOKDWVGH-PRHODGIISA-N -1 0 332.322 3.635 20 0 EHADRM CC[C@@H](NC(=O)NCc1ccc(C(=O)[O-])o1)c1cc(C)ccc1C ZINC001595252392 980218872 /nfs/dbraw/zinc/21/88/72/980218872.db2.gz FXGPJNDVEWAVFQ-OAHLLOKOSA-N -1 0 330.384 3.545 20 0 EHADRM C[C@H](CC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1)c1ccco1 ZINC000899303683 980226114 /nfs/dbraw/zinc/22/61/14/980226114.db2.gz BCLNJZCIDRMION-GFCCVEGCSA-N -1 0 341.363 3.577 20 0 EHADRM C[C@@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1cccc(C2CC2)c1 ZINC001593009172 980234453 /nfs/dbraw/zinc/23/44/53/980234453.db2.gz NPNZGPDWPZNSEH-VPUINMBXSA-N -1 0 325.364 3.746 20 0 EHADRM C[C@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1c(F)cccc1Cl ZINC001593009431 980236834 /nfs/dbraw/zinc/23/68/34/980236834.db2.gz QWVOZFLLJWJABR-XZLDQRQTSA-N -1 0 337.734 3.661 20 0 EHADRM CC[C@@H](NC(=O)c1cc2c(s1)-c1ccccc1C(C)(C)C2)C(=O)[O-] ZINC001595265812 980277638 /nfs/dbraw/zinc/27/76/38/980277638.db2.gz GTGLQQDWLYCSTH-CQSZACIVSA-N -1 0 343.448 3.842 20 0 EHADRM CC[C@@](NC(=O)c1cccc(C)c1F)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595270705 980286848 /nfs/dbraw/zinc/28/68/48/980286848.db2.gz NDBDHJAFRAUMFF-SFHVURJKSA-N -1 0 349.789 3.907 20 0 EHADRM C[C@@H](CC(C)(C)CC(=O)[O-])Nc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000901443382 980290929 /nfs/dbraw/zinc/29/09/29/980290929.db2.gz YTFUZVKKWUMSQC-SAHAZLINSA-N -1 0 345.892 3.910 20 0 EHADRM C[C@@H](NC(=O)Cc1cccc(C(=O)[O-])c1)c1ccc(Cl)c(F)c1 ZINC001593039914 980320651 /nfs/dbraw/zinc/32/06/51/980320651.db2.gz HXYNQKLUNUCSEX-SNVBAGLBSA-N -1 0 335.762 3.597 20 0 EHADRM CC[C@H]1C[C@H](Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)CCO1 ZINC000901773019 980502822 /nfs/dbraw/zinc/50/28/22/980502822.db2.gz BAHKZSDDQFXRMW-CVEARBPZSA-N -1 0 332.444 3.745 20 0 EHADRM CC[C@H](Nc1ccc(OC[C@H]2CCCO2)cc1)C1(C(=O)[O-])CCC1 ZINC001595319090 980505656 /nfs/dbraw/zinc/50/56/56/980505656.db2.gz YNGSFILDGZMTJW-SJORKVTESA-N -1 0 333.428 3.690 20 0 EHADRM CC[C@@H](OC(=O)c1ccccc1S[C@@H](C)C(=O)[O-])c1ccncc1 ZINC001595351658 980659882 /nfs/dbraw/zinc/65/98/82/980659882.db2.gz IUZFXYPDZVNMCZ-SWLSCSKDSA-N -1 0 345.420 3.955 20 0 EHADRM CC[C@H](OC(=O)c1cccc(C(=O)[O-])c1)c1cc(OC)cc(OC)c1 ZINC001595351892 980662048 /nfs/dbraw/zinc/66/20/48/980662048.db2.gz NVGDMGKFDOOSQD-KRWDZBQOSA-N -1 0 344.363 3.710 20 0 EHADRM CC[C@@H](OC(=O)c1csc(Cc2ccc(C)cc2)n1)[C@H](C)C(=O)[O-] ZINC001595353904 980686555 /nfs/dbraw/zinc/68/65/55/980686555.db2.gz LTULENHZSDGFPC-SWLSCSKDSA-N -1 0 347.436 3.698 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)Nc1cc(C)c(C(=O)[O-])s1 ZINC001595356374 980711489 /nfs/dbraw/zinc/71/14/89/980711489.db2.gz CPVCWIIRRLWVMR-LBPRGKRZSA-N -1 0 333.409 3.859 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)OCc1ccsc1C(=O)[O-] ZINC001595356923 980717418 /nfs/dbraw/zinc/71/74/18/980717418.db2.gz NKYQTJSXBBJZQR-AWEZNQCLSA-N -1 0 334.393 3.656 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC001595356988 980718195 /nfs/dbraw/zinc/71/81/95/980718195.db2.gz PZDDQXJVKHWKGN-MRXNPFEDSA-N -1 0 347.455 3.694 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)N(CC1CC1)[C@@](C)(CC)C(=O)[O-] ZINC001595357442 980722106 /nfs/dbraw/zinc/72/21/06/980722106.db2.gz ZNCQBMNNFOVTBS-UZLBHIALSA-N -1 0 347.455 3.644 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)N1[C@@H](C)CC(C(=O)[O-])C[C@@H]1C ZINC001595358904 980736255 /nfs/dbraw/zinc/73/62/55/980736255.db2.gz UPUKABQOCNGMHQ-XEZPLFJOSA-N -1 0 335.469 3.658 20 0 EHADRM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])n1C ZINC001595359425 980741506 /nfs/dbraw/zinc/74/15/06/980741506.db2.gz AJBHZHAPAIBJQA-CVEARBPZSA-N -1 0 340.423 3.522 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cc2ncccc2o1 ZINC001595360968 980757840 /nfs/dbraw/zinc/75/78/40/980757840.db2.gz RCPXWICAXJMVKD-OAHLLOKOSA-N -1 0 338.363 3.506 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CNc1cccc(C(=O)N2CCCCC2)c1 ZINC000902154296 980760702 /nfs/dbraw/zinc/76/07/02/980760702.db2.gz SZQDYLFYAJAADD-UHFFFAOYSA-N -1 0 342.395 3.524 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])Cc1cn2c(cccc2C)n1 ZINC001595362653 980773457 /nfs/dbraw/zinc/77/34/57/980773457.db2.gz MAOXYBLVDHQWRP-SFHVURJKSA-N -1 0 337.423 3.681 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(C)C)C(=O)c1cc(C(=O)[O-])on1 ZINC001595363346 980781559 /nfs/dbraw/zinc/78/15/59/980781559.db2.gz FOFYRDZKYXVAKQ-HNNXBMFYSA-N -1 0 330.384 3.622 20 0 EHADRM CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccsc1C(=O)[O-] ZINC001595363797 980786772 /nfs/dbraw/zinc/78/67/72/980786772.db2.gz IMHXQXMWPFHRTA-CYBMUJFWSA-N -1 0 333.413 3.846 20 0 EHADRM CCc1oc(CN[C@H](CC)c2cccc(OC)c2OC)cc1C(=O)[O-] ZINC000902268763 980808897 /nfs/dbraw/zinc/80/88/97/980808897.db2.gz CAHQTJOCZBFQDM-OAHLLOKOSA-N -1 0 347.411 3.798 20 0 EHADRM CC(C)(C)[S@@](=O)Cc1cccc(NCCC(C)(C)C(=O)[O-])c1 ZINC000902270705 980810891 /nfs/dbraw/zinc/81/08/91/980810891.db2.gz OGBZAMILDWOOIQ-QFIPXVFZSA-N -1 0 325.474 3.647 20 0 EHADRM Cc1cc(N[C@@H]2CC[C@@H](CC(=O)[O-])[C@H]2C)ccc1OC1CCOCC1 ZINC000902279930 980814654 /nfs/dbraw/zinc/81/46/54/980814654.db2.gz CKBSGEBGDJHTHV-RVKKMQEKSA-N -1 0 347.455 3.854 20 0 EHADRM Cc1cc(N[C@@H]2CC[C@H](CC(=O)[O-])[C@@H]2C)ccc1OC1CCOCC1 ZINC000902279924 980814737 /nfs/dbraw/zinc/81/47/37/980814737.db2.gz CKBSGEBGDJHTHV-HDMKZQKVSA-N -1 0 347.455 3.854 20 0 EHADRM CCc1oc(CNc2ccc(OCC(F)F)cc2)cc1C(=O)[O-] ZINC000902341365 980840960 /nfs/dbraw/zinc/84/09/60/980840960.db2.gz PQMKNYYMUAOJTK-UHFFFAOYSA-N -1 0 325.311 3.796 20 0 EHADRM CC[C@H](NCc1ccoc1C(=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000902362907 980852989 /nfs/dbraw/zinc/85/29/89/980852989.db2.gz GLBAPPDSGXYKTA-QMMMGPOBSA-N -1 0 334.319 3.694 20 0 EHADRM CCC1(CC)[C@@H](Nc2cc(C(=O)[O-])cc3cccnc32)C[C@@H]1OC ZINC001595373280 980871515 /nfs/dbraw/zinc/87/15/15/980871515.db2.gz GSTXNQAMHFJNFS-HOTGVXAUSA-N -1 0 328.412 3.939 20 0 EHADRM CCC1(CC)[C@H](NC(=O)Nc2cc(C)cc(C(=O)[O-])c2)[C@@H](C)[C@@H]1OC ZINC001595373686 980875539 /nfs/dbraw/zinc/87/55/39/980875539.db2.gz NJWXZZXZZYHPEJ-WQVCFCJDSA-N -1 0 348.443 3.654 20 0 EHADRM CCC1(CC)CN(C(=O)Nc2cc(C(=O)[O-])sc2C)CCS1 ZINC001595375508 980896114 /nfs/dbraw/zinc/89/61/14/980896114.db2.gz NQZDOWFMIIWLSE-UHFFFAOYSA-N -1 0 342.486 3.894 20 0 EHADRM CCc1oc(CN2CCc3sc(Cl)cc3C2)cc1C(=O)[O-] ZINC000902468564 980901432 /nfs/dbraw/zinc/90/14/32/980901432.db2.gz KHQSHZGXTXDYMC-UHFFFAOYSA-N -1 0 325.817 3.813 20 0 EHADRM C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000902840066 980945652 /nfs/dbraw/zinc/94/56/52/980945652.db2.gz XMIHYTHYGKWREI-SPUZQDLCSA-N -1 0 329.440 3.672 20 0 EHADRM O=C([O-])[C@@H]1CCCN1Cc1cc(Br)c2ccccc2c1 ZINC000903401083 980958658 /nfs/dbraw/zinc/95/86/58/980958658.db2.gz AGLPSNMDCWVLQZ-HNNXBMFYSA-N -1 0 334.213 3.651 20 0 EHADRM CC[C@@H]1C[C@H](C(=O)Oc2c(C(=O)[O-])ccc3ccccc32)CCO1 ZINC001595408094 980996513 /nfs/dbraw/zinc/99/65/13/980996513.db2.gz GDMZBVNXUJICIX-ZIAGYGMSSA-N -1 0 328.364 3.649 20 0 EHADRM CC[C@H]1C[C@@H](C(=O)Oc2c(C(=O)[O-])ccc3ccccc32)CCO1 ZINC001595408091 980996615 /nfs/dbraw/zinc/99/66/15/980996615.db2.gz GDMZBVNXUJICIX-KBPBESRZSA-N -1 0 328.364 3.649 20 0 EHADRM CC[C@@H]1C[C@@H](CC(=O)O[C@@H](C(=O)[O-])c2ccccc2Cl)CCO1 ZINC001595413862 981017664 /nfs/dbraw/zinc/01/76/64/981017664.db2.gz UCJVRVOLCNOLGA-HWWQOWPSSA-N -1 0 340.803 3.604 20 0 EHADRM C[C@@H](c1ncc(C(C)(C)C)o1)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC000903923848 981040767 /nfs/dbraw/zinc/04/07/67/981040767.db2.gz DBRRHJLWFZSRBM-WDEREUQCSA-N -1 0 349.456 3.677 20 0 EHADRM CCC1CCC(NC(=O)c2cc3cc(Cl)ccc3[nH]2)(C(=O)[O-])CC1 ZINC001595424503 981042188 /nfs/dbraw/zinc/04/21/88/981042188.db2.gz ASFYPTQOHIUVAT-UHFFFAOYSA-N -1 0 348.830 3.975 20 0 EHADRM CC[C@H]1CC[C@@H]1Nc1cc(I)cc(C(=O)[O-])c1 ZINC001595431575 981052986 /nfs/dbraw/zinc/05/29/86/981052986.db2.gz WWSSJCJOQRIKNH-UFBFGSQYSA-N -1 0 345.180 3.590 20 0 EHADRM CC[C@H]1CCCC[C@H]1C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001595440148 981075927 /nfs/dbraw/zinc/07/59/27/981075927.db2.gz HIBMRTQQONQNDG-DZOHQFGASA-N -1 0 329.440 3.530 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC001595441243 981079038 /nfs/dbraw/zinc/07/90/38/981079038.db2.gz OZOQDGWZVKJWLN-BZPMIXESSA-N -1 0 337.391 3.833 20 0 EHADRM CC[C@H]1CCCC[C@H]1CNC(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001595441578 981079922 /nfs/dbraw/zinc/07/99/22/981079922.db2.gz RQCMMJNHWUJEMY-STQMWFEESA-N -1 0 334.416 3.731 20 0 EHADRM CC[C@H](CNC(=O)Nc1cc(-c2ccc(C)o2)ccc1C)C(=O)[O-] ZINC000905055646 981088341 /nfs/dbraw/zinc/08/83/41/981088341.db2.gz ISQXNVHWCLNCFZ-CYBMUJFWSA-N -1 0 330.384 3.796 20 0 EHADRM Cc1cc(C)cc([C@@H](NCc2cc(C(F)(F)F)co2)C(=O)[O-])c1 ZINC000905387263 981106532 /nfs/dbraw/zinc/10/65/32/981106532.db2.gz HHFHZWIRBAWQEV-CQSZACIVSA-N -1 0 327.302 3.831 20 0 EHADRM CC[C@@H]1CCCc2sc(NC(=O)c3cccc(CC(=O)[O-])c3)nc21 ZINC001595459312 981137561 /nfs/dbraw/zinc/13/75/61/981137561.db2.gz GJUWAMOZBOHEKN-GFCCVEGCSA-N -1 0 344.436 3.852 20 0 EHADRM CC[C@H]1CCCc2sc(NC(=O)c3cccc(CC(=O)[O-])c3)nc21 ZINC001595459314 981137882 /nfs/dbraw/zinc/13/78/82/981137882.db2.gz GJUWAMOZBOHEKN-LBPRGKRZSA-N -1 0 344.436 3.852 20 0 EHADRM CC[C@@H]1CCc2nc(NC(=O)C34CCC(C(=O)[O-])(CC3)C4)sc2C1 ZINC001595469636 981164278 /nfs/dbraw/zinc/16/42/78/981164278.db2.gz ADPGGXNOHUDTFM-IPPDQLOFSA-N -1 0 348.468 3.632 20 0 EHADRM CC[C@H]1CN(Cc2cc(C(=O)[O-])c(C)n2C)c2cccc(Cl)c2O1 ZINC001595489357 981237532 /nfs/dbraw/zinc/23/75/32/981237532.db2.gz TZUJCTPCVTVPLR-ZDUSSCGKSA-N -1 0 348.830 3.863 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)Nc1ccc(C2CC2)cn1)C(=O)[O-] ZINC000907900875 981238177 /nfs/dbraw/zinc/23/81/77/981238177.db2.gz YSACMGMXONQZIE-LLVKDONJSA-N -1 0 342.420 3.777 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3c3ccc4ccccc4c3)[C@@H]2C1 ZINC000907941612 981242737 /nfs/dbraw/zinc/24/27/37/981242737.db2.gz SLGSCYBVLFYFSF-PJBUMPDVSA-N -1 0 349.430 3.559 20 0 EHADRM Cc1cccc(CO)c1Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001211492288 1014719491 /nfs/dbraw/zinc/71/94/91/1014719491.db2.gz QWWGMNPNWZTRNZ-UHFFFAOYSA-N -1 0 325.286 3.948 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N[C@H](c1ncccc1C)C(C)(C)C ZINC000908122516 981266551 /nfs/dbraw/zinc/26/65/51/981266551.db2.gz SOFVRSVTVCIGKF-OAHLLOKOSA-N -1 0 330.384 3.507 20 0 EHADRM O=C(CC1CCCCCC1)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC000908169746 981276903 /nfs/dbraw/zinc/27/69/03/981276903.db2.gz YHCDCQHKGQFFNW-CSLYMUCUSA-N -1 0 339.501 3.592 20 0 EHADRM CC(C)c1cccc(C(=O)N[C@H]2CCSC3(CC(C(=O)[O-])C3)C2)c1 ZINC000908174149 981278388 /nfs/dbraw/zinc/27/83/88/981278388.db2.gz OVPAPGVSTOQBDW-WUJZJPHMSA-N -1 0 347.480 3.669 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908329476 981299617 /nfs/dbraw/zinc/29/96/17/981299617.db2.gz TVMKDIJPCBBDFY-UHFFFAOYSA-N -1 0 349.475 3.708 20 0 EHADRM Cc1cc(C(F)F)oc1C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908339028 981304553 /nfs/dbraw/zinc/30/45/53/981304553.db2.gz UYCGOQOLEUEYTG-UHFFFAOYSA-N -1 0 329.343 3.681 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)c2ccc(CCC(F)(F)F)cc2)C1 ZINC000908373505 981309488 /nfs/dbraw/zinc/30/94/88/981309488.db2.gz LCEYYOXBOZVWCS-OCCSQVGLSA-N -1 0 343.345 3.555 20 0 EHADRM CC(C)(CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2)c1ccccc1 ZINC000908729947 981349686 /nfs/dbraw/zinc/34/96/86/981349686.db2.gz QFDQVIFXYKADII-UHFFFAOYSA-N -1 0 329.440 3.506 20 0 EHADRM CC[C@@H](C)Sc1ccc(NC(=O)c2cc(C(=O)[O-])on2)c(C)c1 ZINC000908766863 981357575 /nfs/dbraw/zinc/35/75/75/981357575.db2.gz TYTRUSRHIQMACM-SNVBAGLBSA-N -1 0 334.397 3.824 20 0 EHADRM CC(C)(CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2)c1ccccc1F ZINC000908774216 981360593 /nfs/dbraw/zinc/36/05/93/981360593.db2.gz QTFSHSSQHBTRIG-UHFFFAOYSA-N -1 0 347.430 3.645 20 0 EHADRM CCN(C(=O)c1[nH]c2ccccc2c1CC(=O)[O-])[C@H]1CCCC[C@@H]1C ZINC000908780514 981361491 /nfs/dbraw/zinc/36/14/91/981361491.db2.gz QWFXMZPKWOSTHN-GUYCJALGSA-N -1 0 342.439 3.836 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)c2ccccc2CCC(=O)[O-])c1C ZINC000908805759 981366126 /nfs/dbraw/zinc/36/61/26/981366126.db2.gz CUFKNAMIPBXZAJ-OAHLLOKOSA-N -1 0 325.408 3.812 20 0 EHADRM CCC[C@@](C)(NC(=O)c1ccc([C@H](C)C(F)(F)F)cc1)C(=O)[O-] ZINC000908867182 981381100 /nfs/dbraw/zinc/38/11/00/981381100.db2.gz PGOYWQLDJUAQIT-ZUZCIYMTSA-N -1 0 331.334 3.726 20 0 EHADRM CCCc1c(C(=O)Nc2cccc(C(=O)[O-])c2)cnn1C1CCCC1 ZINC000909081806 981414719 /nfs/dbraw/zinc/41/47/19/981414719.db2.gz CLVHPMCMPGEMEC-UHFFFAOYSA-N -1 0 341.411 3.901 20 0 EHADRM CC(C)(C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)C1CCC(O)CC1 ZINC000909106479 981418018 /nfs/dbraw/zinc/41/80/18/981418018.db2.gz CXDYGCSKCPOMGG-UHFFFAOYSA-N -1 0 339.819 3.554 20 0 EHADRM CCC/C(C)=C/C(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC001595565657 981456910 /nfs/dbraw/zinc/45/69/10/981456910.db2.gz JTCLALRGZSCXLP-FMIVXFBMSA-N -1 0 343.345 3.865 20 0 EHADRM C[C@@H]1C[C@@H]1[C@H](NC(=O)c1ccoc1CC(=O)[O-])c1ccc(Cl)cc1 ZINC000909413298 981488180 /nfs/dbraw/zinc/48/81/80/981488180.db2.gz QFQFZCCVAJILSS-OVWKYPIYSA-N -1 0 347.798 3.687 20 0 EHADRM CCC[C@@H](C)CCNS(=O)(=O)c1cc2ccccc2cc1C(=O)[O-] ZINC001595573993 981489981 /nfs/dbraw/zinc/48/99/81/981489981.db2.gz NKBIYVMWIAAFFB-CYBMUJFWSA-N -1 0 349.452 3.643 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1c[nH]c2ccccc21 ZINC000909480920 981505544 /nfs/dbraw/zinc/50/55/44/981505544.db2.gz CRVPRONQELKKAG-CABCVRRESA-N -1 0 342.439 3.765 20 0 EHADRM Cc1ccc2nc(C(=O)N3CCC[C@H](C(C)(C)C(=O)[O-])C3)ccc2c1 ZINC000909495838 981511666 /nfs/dbraw/zinc/51/16/66/981511666.db2.gz XKNBIRLTVYDNEP-HNNXBMFYSA-N -1 0 340.423 3.506 20 0 EHADRM CCC[C@@H](CC)C(=O)N[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC001595585914 981527245 /nfs/dbraw/zinc/52/72/45/981527245.db2.gz INIGLBXZIBUZLS-ZWNOBZJWSA-N -1 0 342.233 3.517 20 0 EHADRM CC(C)[C@H](C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1)c1cccnc1 ZINC000909521840 981527685 /nfs/dbraw/zinc/52/76/85/981527685.db2.gz DAWKKIVFSABUFX-KDOFPFPSSA-N -1 0 340.423 3.723 20 0 EHADRM CC(C)c1cccc2c1CCN(C(=O)C13CCC(C(=O)[O-])(CC1)C3)C2 ZINC000909697696 981573786 /nfs/dbraw/zinc/57/37/86/981573786.db2.gz ZMZMKXDMJGGMAY-UHFFFAOYSA-N -1 0 341.451 3.730 20 0 EHADRM C[C@H](CC(=O)NC1(CC(=O)[O-])CCCC1)c1c[nH]c2ccccc21 ZINC000909709145 981578737 /nfs/dbraw/zinc/57/87/37/981578737.db2.gz QCAAYOYRWHEGMZ-CYBMUJFWSA-N -1 0 328.412 3.565 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3CCC[C@H](Cc4ccccc4)C3)(CC1)C2 ZINC000909722728 981579299 /nfs/dbraw/zinc/57/92/99/981579299.db2.gz BDFCPWZVMXWIOY-MDMXATFFSA-N -1 0 341.451 3.503 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1cc(C)ccc1OCc1ccccc1 ZINC000909729457 981583422 /nfs/dbraw/zinc/58/34/22/981583422.db2.gz YKJAYDRVJHGHLF-OAHLLOKOSA-N -1 0 327.380 3.623 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)s1 ZINC000909760453 981591462 /nfs/dbraw/zinc/59/14/62/981591462.db2.gz AMPMMNPYWYRBGN-AWEZNQCLSA-N -1 0 349.374 3.525 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cccc(-c2c(F)cccc2F)c1 ZINC000909807287 981635021 /nfs/dbraw/zinc/63/50/21/981635021.db2.gz GQSORHLRAMQVJH-RISCZKNCSA-N -1 0 345.345 3.567 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N[C@@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC001594749104 981647768 /nfs/dbraw/zinc/64/77/68/981647768.db2.gz UMSQPGSYGSMUES-WFASDCNBSA-N -1 0 345.370 3.906 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)CCCc2ccc(C3CC3)cc2)C1 ZINC000909841526 981662718 /nfs/dbraw/zinc/66/27/18/981662718.db2.gz IWYLSDHSFVJAHG-FQEVSTJZSA-N -1 0 329.440 3.600 20 0 EHADRM CCC[C@H]1CCCC[C@@H]1CNC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001595621127 981696551 /nfs/dbraw/zinc/69/65/51/981696551.db2.gz CIFHTYHJMHSWKE-FUHWJXTLSA-N -1 0 346.471 3.833 20 0 EHADRM CCC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001595621838 981703762 /nfs/dbraw/zinc/70/37/62/981703762.db2.gz POAKTOLFAZCXNE-OAGGEKHMSA-N -1 0 338.492 3.878 20 0 EHADRM CCC[C@@H]1CCCN1C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001595622750 981713471 /nfs/dbraw/zinc/71/34/71/981713471.db2.gz XDFFRWOYKXIIQS-CVEARBPZSA-N -1 0 332.444 3.813 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)Cc1ccc2cccnc2c1)c1ccccc1 ZINC001594767878 981726600 /nfs/dbraw/zinc/72/66/00/981726600.db2.gz KBASKAYJPMAQAQ-IBGZPJMESA-N -1 0 348.402 3.674 20 0 EHADRM C[C@@H](CC(=O)N1CCCCC[C@H]1C(=O)[O-])c1c[nH]c2ccccc21 ZINC000910043696 981741697 /nfs/dbraw/zinc/74/16/97/981741697.db2.gz IEHVPVDRSZMPRB-GUYCJALGSA-N -1 0 328.412 3.517 20 0 EHADRM C[C@H](c1ccc(C(=O)N2CCCCC[C@H]2C(=O)[O-])cc1)C(F)(F)F ZINC000910047684 981744523 /nfs/dbraw/zinc/74/45/23/981744523.db2.gz ZUUIEWRETMTTHL-RISCZKNCSA-N -1 0 343.345 3.822 20 0 EHADRM CC[C@@H](C(=O)OCc1ccccc1C(=O)[O-])c1ccc(OC)cc1 ZINC001594775301 981757353 /nfs/dbraw/zinc/75/73/53/981757353.db2.gz LLQCSOQQTAPOLA-MRXNPFEDSA-N -1 0 328.364 3.630 20 0 EHADRM CC[C@@H](C(=O)O[C@@H](C(=O)[O-])c1ccccc1F)c1ccc(OC)cc1 ZINC001594775344 981758435 /nfs/dbraw/zinc/75/84/35/981758435.db2.gz NRMOWXZMCMUIER-RHSMWYFYSA-N -1 0 346.354 3.697 20 0 EHADRM CCc1c(C(=O)Nc2cc(F)cc(Cl)c2[O-])[nH]c(C)c1C(C)=O ZINC000274745626 1014765320 /nfs/dbraw/zinc/76/53/20/1014765320.db2.gz WMDUDRWIWJLDQI-UHFFFAOYSA-N -1 0 338.766 3.839 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)/C(C)=C\c1ccc(C)cc1 ZINC001594778219 981773632 /nfs/dbraw/zinc/77/36/32/981773632.db2.gz LDIVEQZUZYZYSM-LFDGNKEFSA-N -1 0 329.440 3.890 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCCc2ccccc2Cl)[C@@H]2CCC[C@@H]21 ZINC000910239266 981806281 /nfs/dbraw/zinc/80/62/81/981806281.db2.gz GIBIUYVCQFZUEV-BFYDXBDKSA-N -1 0 349.858 3.765 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000910240597 981807715 /nfs/dbraw/zinc/80/77/15/981807715.db2.gz BFTFJRJJQGGXKL-BXUZGUMPSA-N -1 0 343.345 3.870 20 0 EHADRM CCCC[C@@](C)(F)C(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12 ZINC001595630410 981818682 /nfs/dbraw/zinc/81/86/82/981818682.db2.gz FDXCPHSQESRABA-GOSISDBHSA-N -1 0 348.374 3.555 20 0 EHADRM Cc1nc(N2CCC[C@H](c3nc4ccccc4o3)C2)ccc1C(=O)[O-] ZINC000910277340 981839714 /nfs/dbraw/zinc/83/97/14/981839714.db2.gz TUCRUAQZWROSCP-ZDUSSCGKSA-N -1 0 337.379 3.613 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cccc(C(F)(F)F)c1 ZINC001594790759 981843944 /nfs/dbraw/zinc/84/39/44/981843944.db2.gz GKXIGNNEIQSAKB-MRXNPFEDSA-N -1 0 343.345 3.811 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cc(C)oc1C(F)(F)F ZINC001594791332 981848940 /nfs/dbraw/zinc/84/89/40/981848940.db2.gz IBBJVBHZKYFXKY-OAHLLOKOSA-N -1 0 347.333 3.712 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H]2CCOC3(CCCC3)C2)cc1 ZINC000910297309 981850897 /nfs/dbraw/zinc/85/08/97/981850897.db2.gz WSXBQCBVIJRIMO-HYVNUMGLSA-N -1 0 343.423 3.553 20 0 EHADRM CCCC[C@H](CCC)CNS(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC001595632415 981854548 /nfs/dbraw/zinc/85/45/48/981854548.db2.gz HDARPQJARQQFOJ-LBPRGKRZSA-N -1 0 347.502 3.640 20 0 EHADRM CCCC[C@H](NC(=O)CCc1ccc(F)c2ccccc12)C(=O)[O-] ZINC001595635307 981901170 /nfs/dbraw/zinc/90/11/70/981901170.db2.gz MDKRHZBKTZPPOD-KRWDZBQOSA-N -1 0 331.387 3.671 20 0 EHADRM CCCC[C@H](NC(=O)c1cc(Cl)cc(C(F)(F)F)c1)C(=O)[O-] ZINC001595636515 981918513 /nfs/dbraw/zinc/91/85/13/981918513.db2.gz XUMWOASVPAZPIS-NSHDSACASA-N -1 0 337.725 3.732 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)NCC[C@@H]2CCCC2(F)F)c1 ZINC000910407089 981919889 /nfs/dbraw/zinc/91/98/89/981919889.db2.gz GESNJKXKNCNEKD-JTQLQIEISA-N -1 0 331.746 3.594 20 0 EHADRM CCCC[C@H](NC(=O)c1ccc(C(F)(F)F)c(F)c1C)C(=O)[O-] ZINC001595636723 981921835 /nfs/dbraw/zinc/92/18/35/981921835.db2.gz MUSFYMHHGITJLU-NSHDSACASA-N -1 0 335.297 3.526 20 0 EHADRM CCC(C)(C)c1ccc(CNC(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC001594813978 981935078 /nfs/dbraw/zinc/93/50/78/981935078.db2.gz BDGTXZUSTAQHGV-UHFFFAOYSA-N -1 0 339.435 3.931 20 0 EHADRM CCC(C)(C)c1ccc(CNC(=O)NCCCCCC(=O)[O-])cc1 ZINC001594814251 981937171 /nfs/dbraw/zinc/93/71/71/981937171.db2.gz KMIGLPZNQCSFPG-UHFFFAOYSA-N -1 0 334.460 3.818 20 0 EHADRM CCC(C)(C)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC001594814450 981938160 /nfs/dbraw/zinc/93/81/60/981938160.db2.gz OLJPFDHSPMOEIU-SFHVURJKSA-N -1 0 339.435 3.800 20 0 EHADRM CCC(C)(C)c1ccc(CNC(=O)N2CCC[C@@H]2CC(=O)[O-])cc1 ZINC001594814581 981939161 /nfs/dbraw/zinc/93/91/61/981939161.db2.gz PWMZPHDSTIJXBY-MRXNPFEDSA-N -1 0 332.444 3.523 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC001594816242 981949633 /nfs/dbraw/zinc/94/96/33/981949633.db2.gz BKBZTVGJSYXUMM-XTQGRXLLSA-N -1 0 341.810 3.732 20 0 EHADRM CCCC[C@@H](S[C@H](C)C(=O)Nc1ccccc1C(C)=O)C(=O)[O-] ZINC001595651694 982025019 /nfs/dbraw/zinc/02/50/19/982025019.db2.gz JQARBWQWRHPAKX-IUODEOHRSA-N -1 0 337.441 3.593 20 0 EHADRM CCCC[C@@H](OC(=O)c1csc(-c2ccc(OC)cc2)n1)C(=O)[O-] ZINC001595652624 982034937 /nfs/dbraw/zinc/03/49/37/982034937.db2.gz VSOUGXQXIKEUAI-CQSZACIVSA-N -1 0 349.408 3.619 20 0 EHADRM CC[C@@H](C)n1ncc(NC(=O)c2ccc(C(=O)[O-])cc2F)c1C1CC1 ZINC000910649196 982040544 /nfs/dbraw/zinc/04/05/44/982040544.db2.gz RFNVZSQGIIWIML-SNVBAGLBSA-N -1 0 345.374 3.821 20 0 EHADRM CC[C@@H](C)n1ncc(NC(=O)/C=C/c2cc(C(=O)[O-])co2)c1C1CC1 ZINC000910649384 982041803 /nfs/dbraw/zinc/04/18/03/982041803.db2.gz VHUPJMPOLSVPKF-XUIVZRPNSA-N -1 0 343.383 3.675 20 0 EHADRM Cc1ccc(C(=O)Nc2cnn(CC(C)C)c2C(C)C)cc1C(=O)[O-] ZINC000910650723 982042461 /nfs/dbraw/zinc/04/24/61/982042461.db2.gz YZXAGTGKDVVUFL-UHFFFAOYSA-N -1 0 343.427 3.921 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1C ZINC000910659164 982045440 /nfs/dbraw/zinc/04/54/40/982045440.db2.gz RAFXYSLATRBWGX-KAMYHZANSA-N -1 0 333.432 3.526 20 0 EHADRM Cc1cccc(O[C@@H](C)C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)c1 ZINC000910697357 982068000 /nfs/dbraw/zinc/06/80/00/982068000.db2.gz SUAMCQPWVFACRM-NSHDSACASA-N -1 0 348.424 3.679 20 0 EHADRM CCCc1ncc(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)s1 ZINC000910699791 982069914 /nfs/dbraw/zinc/06/99/14/982069914.db2.gz QZIILYCFABHBSM-UHFFFAOYSA-N -1 0 339.442 3.626 20 0 EHADRM CC(C)c1sc(NC(=O)c2ccc3c(c2)C[C@H](C)O3)nc1C(=O)[O-] ZINC000910705373 982074953 /nfs/dbraw/zinc/07/49/53/982074953.db2.gz GPSZFBXRTPBNHC-VIFPVBQESA-N -1 0 346.408 3.540 20 0 EHADRM CCC[C@@H](C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1)C(C)C ZINC000910716637 982078645 /nfs/dbraw/zinc/07/86/45/982078645.db2.gz AGEMEKGZAHJSMJ-OLZOCXBDSA-N -1 0 338.473 3.886 20 0 EHADRM CCC[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1)C(C)C ZINC000910716640 982078887 /nfs/dbraw/zinc/07/88/87/982078887.db2.gz AGEMEKGZAHJSMJ-STQMWFEESA-N -1 0 338.473 3.886 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)[C@@H](C)c2ccccc2)nc1C(=O)[O-] ZINC000910718216 982079869 /nfs/dbraw/zinc/07/98/69/982079869.db2.gz KJYXITUABNTISZ-SMDDNHRTSA-N -1 0 344.436 3.617 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)[C@H]2CCC(C)(C)C2)nc1C(=O)[O-] ZINC000910720406 982082944 /nfs/dbraw/zinc/08/29/44/982082944.db2.gz GXYZOJUARAEMCO-NWDGAFQWSA-N -1 0 336.457 3.640 20 0 EHADRM C/C(=C\C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1)C(C)(C)C ZINC000910722923 982086194 /nfs/dbraw/zinc/08/61/94/982086194.db2.gz VKBMWTKDCRFCPL-BZYZDCJZSA-N -1 0 336.457 3.806 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)C[C@H]2C=CCCC2)nc1C(=O)[O-] ZINC000910724329 982088323 /nfs/dbraw/zinc/08/83/23/982088323.db2.gz RDKVBPZOEAELFY-QWHCGFSZSA-N -1 0 334.441 3.560 20 0 EHADRM CCCCC[C@H](NC(=O)CCSc1cccc(Cl)c1)C(=O)[O-] ZINC001595672119 982130508 /nfs/dbraw/zinc/13/05/08/982130508.db2.gz LMJQLUOZMOCZJF-AWEZNQCLSA-N -1 0 343.876 3.972 20 0 EHADRM CCCCC[C@@H](NC(=O)c1cc(C2CC2)nc2ccccc21)C(=O)[O-] ZINC001595677214 982150356 /nfs/dbraw/zinc/15/03/56/982150356.db2.gz UKUGOYZYCXVLRN-QGZVFWFLSA-N -1 0 340.423 3.876 20 0 EHADRM CC/C(C)=C(/C)C(=O)N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001594862235 982154052 /nfs/dbraw/zinc/15/40/52/982154052.db2.gz VDLOXHCCLPTQEP-ASCRHOAZSA-N -1 0 329.318 3.694 20 0 EHADRM CCCCC[C@H](NC(=O)c1cnc(Cl)c2ccccc12)C(=O)[O-] ZINC001595681687 982163467 /nfs/dbraw/zinc/16/34/67/982163467.db2.gz SRLLTZLKGNDLMZ-AWEZNQCLSA-N -1 0 334.803 3.652 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1ccnn1C1CCCC1 ZINC000910954378 982175526 /nfs/dbraw/zinc/17/55/26/982175526.db2.gz OIVIURQKLLFZTI-UHFFFAOYSA-N -1 0 327.384 3.511 20 0 EHADRM CC[C@@H](C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)c1ccccc1 ZINC001594867091 982178706 /nfs/dbraw/zinc/17/87/06/982178706.db2.gz WAMZBWJUSJNGPZ-ASKNOMKYSA-N -1 0 329.440 3.530 20 0 EHADRM COc1ccc([C@H](C)NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1C ZINC000910986061 982184583 /nfs/dbraw/zinc/18/45/83/982184583.db2.gz GXMRXCCRMSLUJI-JAGHRAMZSA-N -1 0 345.439 3.606 20 0 EHADRM CC[C@H](C)[C@@H](C)C(=O)N[C@@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001594872185 982186615 /nfs/dbraw/zinc/18/66/15/982186615.db2.gz AIVFRJNQIZQBBW-XWCIJXRUSA-N -1 0 325.836 3.828 20 0 EHADRM CCCCCCC(=O)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001595691040 982203963 /nfs/dbraw/zinc/20/39/63/982203963.db2.gz YGBQTPYRPVJDLP-CQSZACIVSA-N -1 0 331.334 3.918 20 0 EHADRM O=C(/C=C\c1cc(C(=O)[O-])co1)Nc1ccc(N2CCCCC2)cc1 ZINC000911085985 982230190 /nfs/dbraw/zinc/23/01/90/982230190.db2.gz CIJMQPGDESWUDQ-HJWRWDBZSA-N -1 0 340.379 3.620 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C)C(=O)[O-] ZINC001594884538 982263872 /nfs/dbraw/zinc/26/38/72/982263872.db2.gz WGRJHFXRNKJTMH-JJRVBVJISA-N -1 0 335.444 3.501 20 0 EHADRM O=C([O-])C12CCC(C(=O)Nc3cccc(N4CCCC4)c3)(CC1)CC2 ZINC000911226303 982299152 /nfs/dbraw/zinc/29/91/52/982299152.db2.gz AZIQWACQHIFDHK-UHFFFAOYSA-N -1 0 342.439 3.651 20 0 EHADRM O=C([O-])c1coc(/C=C/C(=O)N2CCCCC[C@@H]2c2ccncc2)c1 ZINC000911233932 982304957 /nfs/dbraw/zinc/30/49/57/982304957.db2.gz KUVAGWNOZDWNIF-FUTAKVPZSA-N -1 0 340.379 3.530 20 0 EHADRM CCCCCCOc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)cc1 ZINC001595715639 982314995 /nfs/dbraw/zinc/31/49/95/982314995.db2.gz XZDWJBZPNUJAOO-PBHICJAKSA-N -1 0 333.428 3.581 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)oc1C(=O)[O-] ZINC000911318549 982340761 /nfs/dbraw/zinc/34/07/61/982340761.db2.gz AODLPXQUPJSEQD-UHFFFAOYSA-N -1 0 348.786 3.792 20 0 EHADRM O=C([O-])CC1(CC(=O)N(Cc2cccc(O)c2)CC2CC2)CCCC1 ZINC000911322329 982346073 /nfs/dbraw/zinc/34/60/73/982346073.db2.gz IZNPQOADMCDRGP-UHFFFAOYSA-N -1 0 345.439 3.556 20 0 EHADRM CC(C)N(C)c1cccc(NC(=O)c2ccccc2CCC(=O)[O-])c1 ZINC000911367814 982385678 /nfs/dbraw/zinc/38/56/78/982385678.db2.gz VDCTYJPJRGHEJR-UHFFFAOYSA-N -1 0 340.423 3.801 20 0 EHADRM Cc1nc(-c2ccccc2NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cs1 ZINC000911374349 982391164 /nfs/dbraw/zinc/39/11/64/982391164.db2.gz QSTWMLDOASHWRH-OLZOCXBDSA-N -1 0 344.436 3.948 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)c1cc(C(C)C)nc2ccccc21)C(=O)[O-] ZINC001594911292 982413450 /nfs/dbraw/zinc/41/34/50/982413450.db2.gz AJWUJOUEXZDPGH-SJKOYZFVSA-N -1 0 328.412 3.587 20 0 EHADRM CC[C@@H](c1ccncc1)N(CC)C(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000911416823 982423175 /nfs/dbraw/zinc/42/31/75/982423175.db2.gz UDGGHPBRPTVBNV-KRWDZBQOSA-N -1 0 326.396 3.702 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)c1ccc(-c2ccccc2OC)s1)C(=O)[O-] ZINC001594913311 982429520 /nfs/dbraw/zinc/42/95/20/982429520.db2.gz ZANQWCZYTCKOCY-BDJLRTHQSA-N -1 0 347.436 3.653 20 0 EHADRM CC1(C)Cc2ccccc2N(C(=O)c2ccc(/C=C/C(=O)[O-])o2)C1 ZINC000911452214 982437198 /nfs/dbraw/zinc/43/71/98/982437198.db2.gz LZNLHYFYTLUICG-CSKARUKUSA-N -1 0 325.364 3.607 20 0 EHADRM CS[C@@H]1CCN(C(=O)c2ccccc2-c2ccccc2C(=O)[O-])C1 ZINC000911496644 982456111 /nfs/dbraw/zinc/45/61/11/982456111.db2.gz AJAMVGFBEPEUJI-CYBMUJFWSA-N -1 0 341.432 3.629 20 0 EHADRM CCCCNC(=S)Nc1ccc(Br)c(C(=O)[O-])c1C ZINC001595759251 982465315 /nfs/dbraw/zinc/46/53/15/982465315.db2.gz VBRZTWCIXLVITF-UHFFFAOYSA-N -1 0 345.262 3.542 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCC[C@H]2c2ccc(F)cc2F)C1 ZINC000911547451 982490177 /nfs/dbraw/zinc/49/01/77/982490177.db2.gz XLKRLBCHFTVBTO-OZVIIMIRSA-N -1 0 337.366 3.519 20 0 EHADRM CCCCO[C@@H]1C[C@@H](NC(=O)Nc2cc(C(=O)[O-])ccc2C)C1(C)C ZINC001595769247 982497686 /nfs/dbraw/zinc/49/76/86/982497686.db2.gz ABSQUZUJUYAUOX-HZPDHXFCSA-N -1 0 348.443 3.799 20 0 EHADRM CCCCO[C@H]1C[C@H](N(C)C(=O)Nc2cccc(C(=O)[O-])c2)C1(C)C ZINC001595770513 982508024 /nfs/dbraw/zinc/50/80/24/982508024.db2.gz JDAQKXSZHVPIGK-HOTGVXAUSA-N -1 0 348.443 3.832 20 0 EHADRM CC1(c2ccccc2)CCC(NC(=O)c2ccoc2CC(=O)[O-])CC1 ZINC000911595925 982528305 /nfs/dbraw/zinc/52/83/05/982528305.db2.gz SEBDHGSVSWXKOZ-UHFFFAOYSA-N -1 0 341.407 3.537 20 0 EHADRM CCCCOc1ccc(CNc2cccc(CC(=O)[O-])n2)cc1OC ZINC001595775492 982537371 /nfs/dbraw/zinc/53/73/71/982537371.db2.gz HBUNCFHPMONRBL-UHFFFAOYSA-N -1 0 344.411 3.508 20 0 EHADRM CC[C@H](C)[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)[O-] ZINC001594928427 982537870 /nfs/dbraw/zinc/53/78/70/982537870.db2.gz IHKNFPWOHUQNBJ-FZMZJTMJSA-N -1 0 331.441 3.736 20 0 EHADRM CCCCOc1ccc([C@@H](C)Nc2ncncc2C(=O)[O-])cc1OC ZINC001595775688 982539978 /nfs/dbraw/zinc/53/99/78/982539978.db2.gz RJWNNOZPORDKGW-GFCCVEGCSA-N -1 0 345.399 3.535 20 0 EHADRM CCCCOc1cccc(NC(=O)NC2(CC(=O)[O-])CCCC2)c1 ZINC001595780888 982554915 /nfs/dbraw/zinc/55/49/15/982554915.db2.gz KOYNOMQRGHPIDY-UHFFFAOYSA-N -1 0 334.416 3.775 20 0 EHADRM CC[C@H](C)C[C@H](C)NC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001594933852 982573302 /nfs/dbraw/zinc/57/33/02/982573302.db2.gz AMGWUMQIWKCEIW-UWVGGRQHSA-N -1 0 342.233 3.702 20 0 EHADRM CC(C)[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccncc1)c1ccccc1 ZINC000911659197 982589106 /nfs/dbraw/zinc/58/91/06/982589106.db2.gz XSCADZYHNWALJV-MSOLQXFVSA-N -1 0 340.423 3.544 20 0 EHADRM CCCCSc1ccc(Cl)cc1C(=O)NCC1(C(=O)[O-])CC1 ZINC001595792139 982591667 /nfs/dbraw/zinc/59/16/67/982591667.db2.gz MUBATNDJHGDPOY-UHFFFAOYSA-N -1 0 341.860 3.827 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NC23CCC(C(F)(F)F)(CC2)CC3)C1 ZINC000911696389 982603094 /nfs/dbraw/zinc/60/30/94/982603094.db2.gz CVHVHQFRMHBKMQ-CPWXYTRJSA-N -1 0 347.377 3.649 20 0 EHADRM CCCCc1nc(-c2cn([C@H]3CCC[C@H](C(=O)[O-])C3)nn2)cs1 ZINC001595797566 982607485 /nfs/dbraw/zinc/60/74/85/982607485.db2.gz PFSRGMPKHQLENK-RYUDHWBXSA-N -1 0 334.445 3.560 20 0 EHADRM CC(C)Oc1c(NC(=O)CO[C@H]2CCC[C@H](C)C2)cccc1C(=O)[O-] ZINC000911738589 982621373 /nfs/dbraw/zinc/62/13/73/982621373.db2.gz FGRNOVCYUYYLIJ-KBPBESRZSA-N -1 0 349.427 3.706 20 0 EHADRM CCCCn1c(=O)c2ccccc2nc1SCC1(CC(=O)[O-])CC1 ZINC001595803393 982623831 /nfs/dbraw/zinc/62/38/31/982623831.db2.gz RIFGHCHQYOFEOU-UHFFFAOYSA-N -1 0 346.452 3.544 20 0 EHADRM CCCCn1ncc(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c1CC ZINC001595807205 982633749 /nfs/dbraw/zinc/63/37/49/982633749.db2.gz FVSVDDQEQSGDOT-ZDUSSCGKSA-N -1 0 343.427 3.686 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)c1ccnc2cc(Cl)ccc21)C(=O)[O-] ZINC001594945701 982634891 /nfs/dbraw/zinc/63/48/91/982634891.db2.gz GDHFUMDXOROIJD-BMIGLBTASA-N -1 0 334.803 3.507 20 0 EHADRM O=C([O-])c1cc(NC(=O)COc2ccc3ccccc3c2)ccc1F ZINC000914728454 982653494 /nfs/dbraw/zinc/65/34/94/982653494.db2.gz CJZJJPBPJWCFRW-UHFFFAOYSA-N -1 0 339.322 3.695 20 0 EHADRM CC[C@H](C)C[C@@H](Nc1nc(-c2cc(F)cc(F)c2)ns1)C(=O)[O-] ZINC001594952197 982666275 /nfs/dbraw/zinc/66/62/75/982666275.db2.gz FTGMPIWCEZVTOH-QPUJVOFHSA-N -1 0 341.383 3.785 20 0 EHADRM CC[C@H](C)CCC(=O)N(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001594953786 982682198 /nfs/dbraw/zinc/68/21/98/982682198.db2.gz WKRFKLFLQNSUKR-VFZGTOFNSA-N -1 0 331.334 3.514 20 0 EHADRM CC[C@H](C)C[C@H](Nc1ccnc(Cc2ccc(F)cc2)n1)C(=O)[O-] ZINC001594954132 982684736 /nfs/dbraw/zinc/68/47/36/982684736.db2.gz ZJFIEHKOUYDXRH-WFASDCNBSA-N -1 0 331.391 3.508 20 0 EHADRM CCCN(C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F)C(C)C ZINC001595820430 982685451 /nfs/dbraw/zinc/68/54/51/982685451.db2.gz FISKLOZXEZNAQH-ZDUSSCGKSA-N -1 0 346.349 3.818 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(OCC3CC3)cc2)ccc1F ZINC000920003110 982690760 /nfs/dbraw/zinc/69/07/60/982690760.db2.gz PXWBNBBSXVDCII-UHFFFAOYSA-N -1 0 329.327 3.565 20 0 EHADRM CC[C@@H](C)CCCCC(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC001594958563 982698831 /nfs/dbraw/zinc/69/88/31/982698831.db2.gz CRJBLRASOABNGJ-UPJWGTAASA-N -1 0 337.382 3.705 20 0 EHADRM CC[C@H](C)CCCCC(=O)N1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001594959049 982703187 /nfs/dbraw/zinc/70/31/87/982703187.db2.gz JLFVBSFVEHVLPW-AWEZNQCLSA-N -1 0 333.428 3.712 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)C[C@@H]1C[C@H]1Cc1ccccc1)CC2 ZINC000923067684 982704502 /nfs/dbraw/zinc/70/45/02/982704502.db2.gz BKLITSDFLONVIA-MOPGFXCFSA-N -1 0 349.430 3.538 20 0 EHADRM COc1ccc(C(C)(C)C(=O)Nc2cc(C(=O)[O-])sc2C)cc1 ZINC000923089910 982716663 /nfs/dbraw/zinc/71/66/63/982716663.db2.gz BONPZYVTTICEGY-UHFFFAOYSA-N -1 0 333.409 3.680 20 0 EHADRM Cc1nc(CC2CC2)sc1C(=O)Nc1cc(C(=O)[O-])sc1C ZINC000923096338 982720866 /nfs/dbraw/zinc/72/08/66/982720866.db2.gz XBDWDPRHRRSVHG-UHFFFAOYSA-N -1 0 336.438 3.724 20 0 EHADRM CC[C@H](C)CONC(=O)Nc1cc(-c2ccncc2)sc1C(=O)[O-] ZINC001594965604 982722527 /nfs/dbraw/zinc/72/25/27/982722527.db2.gz YTWIWVDFKNRWOI-JTQLQIEISA-N -1 0 349.412 3.608 20 0 EHADRM CCCN(C(=O)c1nc(-c2ccccc2)oc1C1CC1)[C@@H](C)C(=O)[O-] ZINC001595831705 982723268 /nfs/dbraw/zinc/72/32/68/982723268.db2.gz PUVQWQWZCOYWAN-LBPRGKRZSA-N -1 0 342.395 3.544 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@H](C)Sc1ccccc1Cl ZINC001594968148 982732021 /nfs/dbraw/zinc/73/20/21/982732021.db2.gz HLVLWEKTROSCBF-QWRGUYRKSA-N -1 0 329.849 3.532 20 0 EHADRM C[C@@H](CCC(=O)NCCc1ccccc1C(=O)[O-])c1ccccc1 ZINC000923121969 982741629 /nfs/dbraw/zinc/74/16/29/982741629.db2.gz IXPYUIUNQFGJKN-HNNXBMFYSA-N -1 0 325.408 3.627 20 0 EHADRM CCCN(C)c1ccc(C(=O)Nc2cnc(C(=O)[O-])c(Cl)c2)cc1 ZINC001595840292 982759646 /nfs/dbraw/zinc/75/96/46/982759646.db2.gz VHWKUFOENTYFBL-UHFFFAOYSA-N -1 0 347.802 3.532 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])Cc1oc2ccccc2c1Br ZINC001594981869 982775412 /nfs/dbraw/zinc/77/54/12/982775412.db2.gz KLNDYVYYRUBXBQ-JTQLQIEISA-N -1 0 340.217 3.880 20 0 EHADRM CC[C@H](C)N(CCc1ccccc1F)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001594983623 982787716 /nfs/dbraw/zinc/78/77/16/982787716.db2.gz HUZIEQGBYUHZLH-BHYGNILZSA-N -1 0 349.446 3.886 20 0 EHADRM CCCN(CC(=O)[O-])c1nc(C)nc2sc3c(c21)CCCCC3 ZINC001595859711 982792187 /nfs/dbraw/zinc/79/21/87/982792187.db2.gz YSSNXSYBMJTKRP-UHFFFAOYSA-N -1 0 333.457 3.570 20 0 EHADRM CCCN(CC(=O)c1cc(C(=O)[O-])[nH]c1C)c1ccc(CC)cc1 ZINC001595860079 982793096 /nfs/dbraw/zinc/79/30/96/982793096.db2.gz FRYVIGMCELFEBP-UHFFFAOYSA-N -1 0 328.412 3.683 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)C[C@@H]1CCc2ccccc21 ZINC000655050642 1014881509 /nfs/dbraw/zinc/88/15/09/1014881509.db2.gz VFMCNUFZIRXBQI-AWEZNQCLSA-N -1 0 348.406 3.544 20 0 EHADRM CC[C@H](C)Oc1cc(NC[C@@H](CC2CCCC2)C(=O)[O-])nc(C)n1 ZINC001595000011 982911217 /nfs/dbraw/zinc/91/12/17/982911217.db2.gz RNUCRZSRMLFITR-SWLSCSKDSA-N -1 0 335.448 3.655 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC001595000408 982912797 /nfs/dbraw/zinc/91/27/97/982912797.db2.gz WCHODRJYYHPBFJ-JLTOFOAXSA-N -1 0 341.407 3.594 20 0 EHADRM CCCN(Cc1ccc(F)cc1F)C(=O)c1ccc(C(=O)[O-])s1 ZINC001595889124 982920338 /nfs/dbraw/zinc/92/03/38/982920338.db2.gz YSJCMCKISYKXRN-UHFFFAOYSA-N -1 0 339.363 3.777 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-] ZINC001595005712 982920969 /nfs/dbraw/zinc/92/09/69/982920969.db2.gz QWFRAHVNIWHBHF-CXGKVVKOSA-N -1 0 347.455 3.883 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001595006394 982923216 /nfs/dbraw/zinc/92/32/16/982923216.db2.gz WXOBFRLVLDHVQE-HHQWOOOKSA-N -1 0 340.379 3.609 20 0 EHADRM CC[C@H](C)c1ccc(C(=O)Nc2c(C)nn(CCC(=O)[O-])c2C)cc1 ZINC001595009947 982937728 /nfs/dbraw/zinc/93/77/28/982937728.db2.gz LSGCDEQXRDMAMH-LBPRGKRZSA-N -1 0 343.427 3.740 20 0 EHADRM C[C@](NC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21)(C(=O)[O-])c1ccccc1 ZINC001573611903 983068657 /nfs/dbraw/zinc/06/86/57/983068657.db2.gz VFTLOQMVWTYGTK-WVSUBDOOSA-N -1 0 329.440 3.709 20 0 EHADRM CCCNc1ccc(C(F)(F)F)cc1NC(=O)[C@H](CC)C(=O)[O-] ZINC001595937205 983083289 /nfs/dbraw/zinc/08/32/89/983083289.db2.gz XURJYTPYMTXIFG-JTQLQIEISA-N -1 0 332.322 3.577 20 0 EHADRM O=C([O-])[C@H](CC(=O)NCc1cc2ccccc2s1)c1ccccc1 ZINC000620149387 1125485919 /nfs/dbraw/zinc/48/59/19/1125485919.db2.gz JUOISXQUXMNEHQ-MRXNPFEDSA-N -1 0 339.416 3.776 20 0 EHADRM CCCOc1ccc(NC(=O)c2cccc(C(=O)[O-])n2)cc1C(C)C ZINC001595960189 983149611 /nfs/dbraw/zinc/14/96/11/983149611.db2.gz DBZDKBPJHDNUPW-UHFFFAOYSA-N -1 0 342.395 3.944 20 0 EHADRM CCCOc1ccc(COC(=O)c2ccc(C(=O)[O-])cc2)c(C)c1 ZINC001595961219 983157824 /nfs/dbraw/zinc/15/78/24/983157824.db2.gz VXIOSFBKGIAVIR-UHFFFAOYSA-N -1 0 328.364 3.839 20 0 EHADRM CCCOc1ccc(NC(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)cc1 ZINC001595961640 983161669 /nfs/dbraw/zinc/16/16/69/983161669.db2.gz QJKBGWGNLRQIBM-UHFFFAOYSA-N -1 0 346.383 3.739 20 0 EHADRM CCCOc1ccccc1[C@H](CC(C)C)NC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001595968912 983186593 /nfs/dbraw/zinc/18/65/93/983186593.db2.gz IAKLEZIXKPFCGK-UXLLHSPISA-N -1 0 347.455 3.790 20 0 EHADRM CCCOc1ccccc1NCc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001595974157 983198813 /nfs/dbraw/zinc/19/88/13/983198813.db2.gz MPXRNHDRFFOJIR-UHFFFAOYSA-N -1 0 343.379 3.572 20 0 EHADRM CCCSCC(=O)O[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC001595987125 983235346 /nfs/dbraw/zinc/23/53/46/983235346.db2.gz QRBDZHHFRKJCHM-GFCCVEGCSA-N -1 0 336.331 3.518 20 0 EHADRM CCC[C@H](NC(=O)c1sc(C)cc1OCc1ccccc1)C(=O)[O-] ZINC001596022723 983284459 /nfs/dbraw/zinc/28/44/59/983284459.db2.gz IHWZOFVYJCAXAS-AWEZNQCLSA-N -1 0 347.436 3.619 20 0 EHADRM CCCc1c(C(=O)NC[C@H]2CCC[C@H]2C2CC2)[nH]c(C)c1C(=O)[O-] ZINC001596037074 983317565 /nfs/dbraw/zinc/31/75/65/983317565.db2.gz ANXVMSJQTFWWPK-KGLIPLIRSA-N -1 0 332.444 3.530 20 0 EHADRM CCCc1c(C(=O)Nc2nc(C(C)(C)C)co2)[nH]c(C)c1C(=O)[O-] ZINC001596046972 983340695 /nfs/dbraw/zinc/34/06/95/983340695.db2.gz MHXLYHSOUNSETD-UHFFFAOYSA-N -1 0 333.388 3.512 20 0 EHADRM CCCc1ccc(C(=O)OCc2c(F)cc(C(=O)[O-])cc2F)cc1 ZINC001596063431 983374653 /nfs/dbraw/zinc/37/46/53/983374653.db2.gz YOHACPFMGBDIDK-UHFFFAOYSA-N -1 0 334.318 3.973 20 0 EHADRM CCCc1ccc(CCCC(=O)Nc2cccc(C(=O)[O-])c2N)cc1 ZINC001596063382 983374901 /nfs/dbraw/zinc/37/49/01/983374901.db2.gz UQMNBBVGDZEODM-UHFFFAOYSA-N -1 0 340.423 3.881 20 0 EHADRM CCCc1ccc(CCCC(=O)Nc2ccc(C(=O)[O-])nc2)cc1 ZINC001596063418 983375193 /nfs/dbraw/zinc/37/51/93/983375193.db2.gz XCATZWAQVBYTDY-UHFFFAOYSA-N -1 0 326.396 3.694 20 0 EHADRM CCCc1ccc(CCCC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)cc1 ZINC001596063454 983375805 /nfs/dbraw/zinc/37/58/05/983375805.db2.gz ZNQIBPUIJDSSLB-KRWDZBQOSA-N -1 0 333.472 3.967 20 0 EHADRM CCCc1nc(C(=O)Oc2c(C(=O)[O-])ccc3ccccc32)co1 ZINC001596077970 983394941 /nfs/dbraw/zinc/39/49/41/983394941.db2.gz VJBISVGSZUZDTE-UHFFFAOYSA-N -1 0 325.320 3.698 20 0 EHADRM CCCc1csc(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(C)cc2)n1 ZINC001596082386 983400492 /nfs/dbraw/zinc/40/04/92/983400492.db2.gz MVQGNBIBGTUJFJ-AWEZNQCLSA-N -1 0 347.440 3.742 20 0 EHADRM CCCc1nsc(N[C@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])n1 ZINC001596102573 983427532 /nfs/dbraw/zinc/42/75/32/983427532.db2.gz HMJGVDHRZPAHHU-UKRRQHHQSA-N -1 0 345.468 3.866 20 0 EHADRM CCCn1c(C(=O)N2CCc3ccc(C(=O)[O-])cc32)cc2ccccc21 ZINC001596107296 983431698 /nfs/dbraw/zinc/43/16/98/983431698.db2.gz DRQYFALYNOHLAJ-UHFFFAOYSA-N -1 0 348.402 3.952 20 0 EHADRM CCCn1c(SCC(C)(C)C(=O)[O-])nnc1-c1cccc(C)c1 ZINC001596110974 983437480 /nfs/dbraw/zinc/43/74/80/983437480.db2.gz FEYBDRLRHXRKCM-UHFFFAOYSA-N -1 0 333.457 3.866 20 0 EHADRM CCN(C(=O)[C@H](C)Sc1ccccc1Cl)C(C)(C)C(=O)[O-] ZINC001596130740 983476418 /nfs/dbraw/zinc/47/64/18/983476418.db2.gz BWGAKNDUHCMABV-JTQLQIEISA-N -1 0 329.849 3.532 20 0 EHADRM CCN(C(=O)[C@H](OCC1CCCC1)c1ccccc1)C(C)(C)C(=O)[O-] ZINC001596131899 983479741 /nfs/dbraw/zinc/47/97/41/983479741.db2.gz UWDZFSCDGDPAOD-QGZVFWFLSA-N -1 0 347.455 3.646 20 0 EHADRM CCN(C(=O)CC1CCC(F)(F)CC1)c1ccccc1C(=O)[O-] ZINC001596133396 983482070 /nfs/dbraw/zinc/48/20/70/983482070.db2.gz JYBPSPKQSKGGOD-UHFFFAOYSA-N -1 0 325.355 3.953 20 0 EHADRM CCN(C(=O)Cc1ccc(C(C)(C)C)cc1)c1ncc(C(=O)[O-])s1 ZINC001596143608 983497715 /nfs/dbraw/zinc/49/77/15/983497715.db2.gz QZYXDESGDCSPFA-UHFFFAOYSA-N -1 0 346.452 3.734 20 0 EHADRM CCN(C(=O)CNc1cccc(C(=O)[O-])c1Cl)C1CCCCC1 ZINC001596145817 983501825 /nfs/dbraw/zinc/50/18/25/983501825.db2.gz VZZBUWRKJIGKAV-UHFFFAOYSA-N -1 0 338.835 3.631 20 0 EHADRM CCN(C(=O)Nc1cc(C(=O)[O-])cnc1Cl)c1ccc(OC)cc1 ZINC001596150805 983511033 /nfs/dbraw/zinc/51/10/33/983511033.db2.gz PHZBOWAJVZUKAU-UHFFFAOYSA-N -1 0 349.774 3.500 20 0 EHADRM CCN(C(=O)c1cc(F)cc(C(=O)[O-])c1)[C@@H](C)Cc1ccsc1 ZINC001596164535 983527235 /nfs/dbraw/zinc/52/72/35/983527235.db2.gz RTTZYYGKOUHYSF-NSHDSACASA-N -1 0 335.400 3.679 20 0 EHADRM CCN(C(=O)c1cc(C(C)(C)C)oc1C)c1ncc(C(=O)[O-])s1 ZINC001596165141 983529195 /nfs/dbraw/zinc/52/91/95/983529195.db2.gz ZAOHBHWNXIQKJA-UHFFFAOYSA-N -1 0 336.413 3.707 20 0 EHADRM CCN(C(=O)c1ccc(Cn2cccc2)cc1)c1ccccc1C(=O)[O-] ZINC001596167054 983530896 /nfs/dbraw/zinc/53/08/96/983530896.db2.gz DJOKYHJBXYTOGQ-UHFFFAOYSA-N -1 0 348.402 3.901 20 0 EHADRM CCN(C(=O)c1ccc(OCC(=O)[O-])cc1)c1ccc2ccccc2c1 ZINC001596169793 983534338 /nfs/dbraw/zinc/53/43/38/983534338.db2.gz RJJLTYBFGLPULD-UHFFFAOYSA-N -1 0 349.386 3.970 20 0 EHADRM CCN(C(=O)c1nsc2ccccc21)c1ccccc1C(=O)[O-] ZINC001596174912 983541799 /nfs/dbraw/zinc/54/17/99/983541799.db2.gz PIPNNBCJUGMMQW-UHFFFAOYSA-N -1 0 326.377 3.661 20 0 EHADRM CCN(CC)c1ncc(CN[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)s1 ZINC001596292107 983711376 /nfs/dbraw/zinc/71/13/76/983711376.db2.gz CZEOHXBBYJFQOM-MRXNPFEDSA-N -1 0 347.484 3.522 20 0 EHADRM CCN(Cc1c[nH]c2ccccc12)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001596354391 983817913 /nfs/dbraw/zinc/81/79/13/983817913.db2.gz NZMCEJJCDYPCCA-NTMALXAHSA-N -1 0 338.363 3.521 20 0 EHADRM CCN(Cc1cccc(Cl)c1)C(=O)Nc1cnc(C)c(C(=O)[O-])c1 ZINC001596364521 983848758 /nfs/dbraw/zinc/84/87/58/983848758.db2.gz KNPMTIBUSINUCI-UHFFFAOYSA-N -1 0 347.802 3.796 20 0 EHADRM CCN(Cc1ccccn1)C(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC001596373623 983878772 /nfs/dbraw/zinc/87/87/72/983878772.db2.gz LWOSIURPHCXKJU-UHFFFAOYSA-N -1 0 345.424 3.556 20 0 EHADRM COc1ccc(-c2noc(-c3cc(Cl)ccc3[O-])n2)cc1OC ZINC000109037374 1014986987 /nfs/dbraw/zinc/98/69/87/1014986987.db2.gz KNKLJHRDTZAWLT-UHFFFAOYSA-N -1 0 332.743 3.780 20 0 EHADRM C=C/C=C/CC(=O)N(C)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001588719624 983962248 /nfs/dbraw/zinc/96/22/48/983962248.db2.gz CCHTUMPAEBOKEZ-NNTXTVRGSA-N -1 0 328.195 3.710 20 0 EHADRM C=C/C=C\CC(=O)N(C)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001588719630 983962255 /nfs/dbraw/zinc/96/22/55/983962255.db2.gz CCHTUMPAEBOKEZ-ZRUQZJFASA-N -1 0 328.195 3.710 20 0 EHADRM CCOC(=O)/C(=C\c1cc(C(=O)[O-])ccc1Cl)c1ccnc(F)c1 ZINC001596509632 984272667 /nfs/dbraw/zinc/27/26/67/984272667.db2.gz SKXDGGWAJTZLQO-JYRVWZFOSA-N -1 0 349.745 3.676 20 0 EHADRM CCOC(=O)C1CCC(SCc2ccc(F)cc2C(=O)[O-])CC1 ZINC001596570758 984464854 /nfs/dbraw/zinc/46/48/54/984464854.db2.gz SPFPGAQUCYNVIV-UHFFFAOYSA-N -1 0 340.416 3.879 20 0 EHADRM C/C(=C/C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1)c1ccc(F)cc1 ZINC001588938966 984625619 /nfs/dbraw/zinc/62/56/19/984625619.db2.gz OJQKPBUXNZAXKD-QAAVPBIRSA-N -1 0 333.403 3.626 20 0 EHADRM C/C(=C/C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1)c1cccs1 ZINC001588939245 984627979 /nfs/dbraw/zinc/62/79/79/984627979.db2.gz MEIJENPYCGUGAH-FPAJZGIOSA-N -1 0 333.384 3.623 20 0 EHADRM C/C(=C\C(=O)N[C@H](CC(=O)[O-])c1cccc(C)c1)c1ccc(F)cc1 ZINC001588939266 984628589 /nfs/dbraw/zinc/62/85/89/984628589.db2.gz MOPDDGJBDRVDNQ-GPZRYRNASA-N -1 0 341.382 3.870 20 0 EHADRM C/C(=C/C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1)c1ccc(F)cc1 ZINC001588945925 984655291 /nfs/dbraw/zinc/65/52/91/984655291.db2.gz OJEQYQKWAIDJCM-NTMALXAHSA-N -1 0 348.399 3.686 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1ccc(F)c(Cl)c1 ZINC001599888872 984670654 /nfs/dbraw/zinc/67/06/54/984670654.db2.gz YQGYMWHJBJRIJN-LLVKDONJSA-N -1 0 335.762 3.595 20 0 EHADRM C/C(=C/C(=O)Oc1ccc(N(C)C)c(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001588952619 984687621 /nfs/dbraw/zinc/68/76/21/984687621.db2.gz AWRSCBJRMOIOTD-BENRWUELSA-N -1 0 343.354 3.599 20 0 EHADRM C[C@H](CC(=O)[O-])OC(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC001599890900 984692647 /nfs/dbraw/zinc/69/26/47/984692647.db2.gz XKBDMSPDWXQEJR-SECBINFHSA-N -1 0 331.349 3.576 20 0 EHADRM C/C(=C\C(C)(C)C)C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001588953191 984692773 /nfs/dbraw/zinc/69/27/73/984692773.db2.gz KMWIRDXEYBHWJX-HUXQLNKYSA-N -1 0 349.858 3.959 20 0 EHADRM C[C@H](COc1c(F)cccc1F)Nc1ncc(C(=O)[O-])cc1Cl ZINC001599892172 984708158 /nfs/dbraw/zinc/70/81/58/984708158.db2.gz HVRLVZPGURAREG-MRVPVSSYSA-N -1 0 342.729 3.591 20 0 EHADRM C[C@H](NC(=O)C12CCC(C(=O)[O-])(CC1)C2)c1ccc2c(c1)CCCC2 ZINC001599893220 984721019 /nfs/dbraw/zinc/72/10/19/984721019.db2.gz FKMFAJRQYXOIDD-YJPTXTSQSA-N -1 0 341.451 3.778 20 0 EHADRM C/C(=C\CN1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1)C(=O)[O-] ZINC001588959972 984729159 /nfs/dbraw/zinc/72/91/59/984729159.db2.gz VZDKUSCGPQHYOV-IDKBZEPQSA-N -1 0 325.412 3.635 20 0 EHADRM C[C@H](NC(=O)c1ccccc1-c1ccccc1C(=O)[O-])c1ccccn1 ZINC001599900901 984822704 /nfs/dbraw/zinc/82/27/04/984822704.db2.gz WEFWZYOLGJUVCQ-AWEZNQCLSA-N -1 0 346.386 3.938 20 0 EHADRM C[C@H](NCc1ncc(C(=O)[O-])s1)c1ccc(OC(F)(F)F)cc1 ZINC001599901541 984839896 /nfs/dbraw/zinc/83/98/96/984839896.db2.gz JRTLBKMDZURHEE-QMMMGPOBSA-N -1 0 346.330 3.591 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)N1C[C@@H](C(=O)[O-])Cc2ccccc21 ZINC001588995471 984924668 /nfs/dbraw/zinc/92/46/68/984924668.db2.gz KUQAROWKJOBLKL-RXBGNRNISA-N -1 0 335.403 3.688 20 0 EHADRM C/C(=C/c1c(Cl)cccc1Cl)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC001588995634 984926218 /nfs/dbraw/zinc/92/62/18/984926218.db2.gz ODMCPKRVOOKIJW-UJICNMFASA-N -1 0 330.211 3.576 20 0 EHADRM C/C(=C/c1c(Cl)cccc1Cl)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001588995953 984931259 /nfs/dbraw/zinc/93/12/59/984931259.db2.gz XQIYJMNUGHLXRZ-GXMKHXEJSA-N -1 0 340.206 3.686 20 0 EHADRM CC(=Cc1ccc(C)cc1)C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001588998934 984935587 /nfs/dbraw/zinc/93/55/87/984935587.db2.gz NUECBKDMMFCFJX-FMIVXFBMSA-N -1 0 335.363 3.612 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001588999628 984938905 /nfs/dbraw/zinc/93/89/05/984938905.db2.gz YERBHUCIRCHBTJ-FLIBITNWSA-N -1 0 331.318 3.634 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)C(F)(F)c2cccc(Cl)c2)(C(=O)[O-])CC1 ZINC001599907772 984945452 /nfs/dbraw/zinc/94/54/52/984945452.db2.gz FPYNRPYZJKMFOF-LGZQZNNBSA-N -1 0 345.773 3.582 20 0 EHADRM C/C(=C\c1cccc(Cl)c1)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC001589003251 984951147 /nfs/dbraw/zinc/95/11/47/984951147.db2.gz WUHCJYYNYYYKGU-VFPJVTBKSA-N -1 0 347.842 3.988 20 0 EHADRM C/C(=C\c1ccccc1Cl)C(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1 ZINC001589003493 984953194 /nfs/dbraw/zinc/95/31/94/984953194.db2.gz BMUIRPWVVZXPLP-XKNMKIEJSA-N -1 0 335.831 3.893 20 0 EHADRM C/C(=C\c1ccco1)C(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21 ZINC001589010861 984984228 /nfs/dbraw/zinc/98/42/28/984984228.db2.gz RDJYHIZVZVLGKX-DJWNQLJPSA-N -1 0 339.391 3.677 20 0 EHADRM CC(=O)[C@@H](Cc1ccccc1)Sc1nc2ccc(C(=O)[O-])cc2o1 ZINC001589024620 985037400 /nfs/dbraw/zinc/03/74/00/985037400.db2.gz TVFIJZHLWHFIQD-MRXNPFEDSA-N -1 0 341.388 3.818 20 0 EHADRM C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)CC[C@H]1C(=O)[O-] ZINC001599914979 985042466 /nfs/dbraw/zinc/04/24/66/985042466.db2.gz YGSDLFKZHYHRAI-LLBUTXAOSA-N -1 0 337.419 3.513 20 0 EHADRM C[C@H]1CN(C(=O)CC2CCC(c3ccccc3)CC2)C[C@]1(C)C(=O)[O-] ZINC001599915400 985048252 /nfs/dbraw/zinc/04/82/52/985048252.db2.gz IPNHUDBCEIYVKK-METAZSIFSA-N -1 0 343.467 3.920 20 0 EHADRM CC(=O)CCC(C)(C)C(=O)O[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001589034445 985069595 /nfs/dbraw/zinc/06/95/95/985069595.db2.gz CCRBQVXGRQONSB-ZDUSSCGKSA-N -1 0 344.766 3.543 20 0 EHADRM CC(=O)CCCC(=O)Nc1ccc(Oc2ccccc2)cc1C(=O)[O-] ZINC001589034789 985074983 /nfs/dbraw/zinc/07/49/83/985074983.db2.gz JATAJUHSGJEAQK-UHFFFAOYSA-N -1 0 341.363 3.875 20 0 EHADRM CC(=O)N(C)c1ccc(N[C@@H](C(=O)[O-])c2ccccc2Cl)cc1 ZINC001589046391 985120561 /nfs/dbraw/zinc/12/05/61/985120561.db2.gz VIPYKLWPCGMTPQ-MRXNPFEDSA-N -1 0 332.787 3.561 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cc(Cl)cc(Cl)c2F)C[C@]1(C)C(=O)[O-] ZINC001599922039 985147515 /nfs/dbraw/zinc/14/75/15/985147515.db2.gz NAFMFXUGGISVLH-WJWGPLDTSA-N -1 0 349.189 3.707 20 0 EHADRM CCO[C@@H](C(=O)N(c1ccccc1)[C@@H](CC)C(=O)[O-])c1ccccc1 ZINC001596761184 985151795 /nfs/dbraw/zinc/15/17/95/985151795.db2.gz YRSSSNYQSYLKQU-ZWKOTPCHSA-N -1 0 341.407 3.661 20 0 EHADRM CCO[C@@H](C(=O)Nc1ccc(SC)c(C(=O)[O-])c1)c1ccccc1 ZINC001596766382 985170749 /nfs/dbraw/zinc/17/07/49/985170749.db2.gz AVVONTTYXLDDHN-MRXNPFEDSA-N -1 0 345.420 3.823 20 0 EHADRM CCO[C@H](CC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)C(C)C ZINC001596781439 985232364 /nfs/dbraw/zinc/23/23/64/985232364.db2.gz FPXWDFRVJJGNCQ-CYBMUJFWSA-N -1 0 335.425 3.989 20 0 EHADRM CCO[C@H](CC(=O)OCc1ccc(C(=O)[O-])c(Cl)c1)C(C)C ZINC001596782165 985237706 /nfs/dbraw/zinc/23/77/06/985237706.db2.gz LUKOYTKCFFVFHZ-CQSZACIVSA-N -1 0 328.792 3.533 20 0 EHADRM CCO[C@@H](CNC(=O)Nc1cc(C)cc(C(=O)[O-])c1)c1ccccc1 ZINC001596792229 985282801 /nfs/dbraw/zinc/28/28/01/985282801.db2.gz UYDCBWNTRUOPTQ-KRWDZBQOSA-N -1 0 342.395 3.593 20 0 EHADRM CCOC1CC(N(C)Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC001596810862 985355099 /nfs/dbraw/zinc/35/50/99/985355099.db2.gz JLARGBKPEIMGNQ-UHFFFAOYSA-N -1 0 346.452 3.508 20 0 EHADRM C[C@H]1Cc2ccccc2N(C(=O)c2sccc2Cl)[C@H]1C(=O)[O-] ZINC001599935672 985390567 /nfs/dbraw/zinc/39/05/67/985390567.db2.gz DSUKZEJQFOXRKT-TVQRCGJNSA-N -1 0 335.812 3.694 20 0 EHADRM CCO[C@H]1C[C@H](NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)C1(CC)CC ZINC001596825264 985431644 /nfs/dbraw/zinc/43/16/44/985431644.db2.gz ZXBMUVPGUFYQKG-HOTGVXAUSA-N -1 0 348.443 3.799 20 0 EHADRM Cc1nc(=O)[nH]c(SC[C@@H]2CC[C@@H](c3ccccc3)C2)c1C(=O)[O-] ZINC001599942088 985467129 /nfs/dbraw/zinc/46/71/29/985467129.db2.gz PVVTYZJFKHSTEV-TZMCWYRMSA-N -1 0 344.436 3.865 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)C(C)(C)C1 ZINC001594477830 985500479 /nfs/dbraw/zinc/50/04/79/985500479.db2.gz KAWVFTASQJWQCY-MRVPVSSYSA-N -1 0 328.771 3.830 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)[C@@H](C)[C@H]1C ZINC001594479169 985511476 /nfs/dbraw/zinc/51/14/76/985511476.db2.gz UJWDUUCAWHYCNK-VGMNWLOBSA-N -1 0 328.771 3.686 20 0 EHADRM CC(=O)Nc1cc(C(=O)Oc2cc(Cl)ccc2C(=O)[O-])ccc1C ZINC001589170654 985524719 /nfs/dbraw/zinc/52/47/19/985524719.db2.gz WWFHOECONJYYGP-UHFFFAOYSA-N -1 0 347.754 3.524 20 0 EHADRM CC(=O)Nc1cc(N[C@H](C)c2ccccc2OCC(=O)[O-])ccc1C ZINC001589182777 985561512 /nfs/dbraw/zinc/56/15/12/985561512.db2.gz WRURUTLJHREWJX-CYBMUJFWSA-N -1 0 342.395 3.590 20 0 EHADRM CC(=O)Nc1ccc(C)c(C(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001589190119 985590269 /nfs/dbraw/zinc/59/02/69/985590269.db2.gz XLRAETQRIBWWDR-UHFFFAOYSA-N -1 0 347.754 3.524 20 0 EHADRM Cc1[nH]c(C(=O)N2CC[C@@H]([C@H]3CCCC3(C)C)C2)c(C)c1C(=O)[O-] ZINC001599951227 985610106 /nfs/dbraw/zinc/61/01/06/985610106.db2.gz ORVNDFRLWJOYBL-ZIAGYGMSSA-N -1 0 332.444 3.618 20 0 EHADRM Cc1[nH]c(C(=O)N2C[C@H](C)CC[C@@H]2c2ccccc2)c(C)c1C(=O)[O-] ZINC001599951279 985611179 /nfs/dbraw/zinc/61/11/79/985611179.db2.gz PRGBIIVBOMRLPV-MLGOLLRUSA-N -1 0 340.423 3.943 20 0 EHADRM Cc1[nH]c(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC001599951582 985617395 /nfs/dbraw/zinc/61/73/95/985617395.db2.gz UMYXUGOMSDDZQC-LLVKDONJSA-N -1 0 334.803 3.816 20 0 EHADRM Cc1[nH]c(C(=O)NC[C@@H](Cc2ccccc2)C(C)C)c(C)c1C(=O)[O-] ZINC001599952584 985634388 /nfs/dbraw/zinc/63/43/88/985634388.db2.gz ILTXEWZDDPPTIB-MRXNPFEDSA-N -1 0 342.439 3.574 20 0 EHADRM Cc1[nH]c(C(=O)Nc2ccccc2-c2nccs2)c(C)c1C(=O)[O-] ZINC001599954628 985666737 /nfs/dbraw/zinc/66/67/37/985666737.db2.gz LIDZYTGUKWAUAR-UHFFFAOYSA-N -1 0 341.392 3.706 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@H]1CCc2ccc(C(C)C)cc21 ZINC001599955149 985675725 /nfs/dbraw/zinc/67/57/25/985675725.db2.gz AINHCGFKZFRBII-INIZCTEOSA-N -1 0 340.423 3.870 20 0 EHADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1CCCc2cccc(C(C)C)c21 ZINC001599958645 985735290 /nfs/dbraw/zinc/73/52/90/985735290.db2.gz GWPBEFBEDJVLQH-UHFFFAOYSA-N -1 0 340.423 3.780 20 0 EHADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CSc1ncc(-c2ccccc2)o1 ZINC001599960277 985767724 /nfs/dbraw/zinc/76/77/24/985767724.db2.gz FBJJNXDJIAITPW-UHFFFAOYSA-N -1 0 342.376 3.651 20 0 EHADRM CCOC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c2ccccc12)C(C)C ZINC001596890018 985807527 /nfs/dbraw/zinc/80/75/27/985807527.db2.gz UFLJJKVKTMBYFE-QGZVFWFLSA-N -1 0 344.411 3.721 20 0 EHADRM CC(=O)c1cc(C(=O)N2CCCCc3cc(C(=O)[O-])ccc32)cs1 ZINC001589255605 985895233 /nfs/dbraw/zinc/89/52/33/985895233.db2.gz LWTZUZKFOBMQGB-UHFFFAOYSA-N -1 0 343.404 3.632 20 0 EHADRM Cc1[nH]c2c(cccc2C(=O)N2CCc3ccc(C(=O)[O-])cc32)c1C ZINC001599965937 985906242 /nfs/dbraw/zinc/90/62/42/985906242.db2.gz NMUUAESTSZWRCW-UHFFFAOYSA-N -1 0 334.375 3.686 20 0 EHADRM CC(=O)c1cc(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)ccc1C ZINC001589258391 985908512 /nfs/dbraw/zinc/90/85/12/985908512.db2.gz YDHDQXZFWACYQA-UHFFFAOYSA-N -1 0 349.745 3.941 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001589267193 985944084 /nfs/dbraw/zinc/94/40/84/985944084.db2.gz XHFVWUQNYBEYNJ-UZLBHIALSA-N -1 0 338.359 3.687 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)cc1 ZINC001589277175 985992118 /nfs/dbraw/zinc/99/21/18/985992118.db2.gz FZLKBKKBCMIDND-UHFFFAOYSA-N -1 0 335.718 3.632 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)o1 ZINC001589277653 985996327 /nfs/dbraw/zinc/99/63/27/985996327.db2.gz VIZJPHCABSWEJU-UHFFFAOYSA-N -1 0 329.333 3.647 20 0 EHADRM CC(=O)c1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C)c2C)s1 ZINC001589278323 985997474 /nfs/dbraw/zinc/99/74/74/985997474.db2.gz AGQZUJYWSRUOBK-OAHLLOKOSA-N -1 0 332.377 3.550 20 0 EHADRM Cc1c(Br)cccc1CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001599972611 986033982 /nfs/dbraw/zinc/03/39/82/986033982.db2.gz RSIREKFHYUDUFE-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM CCC[C@H](CC)S(=O)(=O)Nc1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000579844940 1015190036 /nfs/dbraw/zinc/19/00/36/1015190036.db2.gz RZKBFTSZJAZBRU-DOMZBBRYSA-N -1 0 327.446 3.585 20 0 EHADRM CCOCc1ccc(NC(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001596966493 986176152 /nfs/dbraw/zinc/17/61/52/986176152.db2.gz VJYBFFOTPPZCAU-QGZVFWFLSA-N -1 0 348.443 3.626 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001599983224 986193352 /nfs/dbraw/zinc/19/33/52/986193352.db2.gz FSWYSOPFDGOOLQ-QOBDMFJFSA-N -1 0 347.411 3.578 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)[C@@H](C)CC(F)(F)F)ccc2n1C ZINC001599985711 986224141 /nfs/dbraw/zinc/22/41/41/986224141.db2.gz WJWBFKMNQCHOSX-QMMMGPOBSA-N -1 0 343.301 3.679 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)Cc3ccoc3)ccc2n1C1CC1 ZINC001599986344 986229688 /nfs/dbraw/zinc/22/96/88/986229688.db2.gz YCELEKNVIXQEEV-UHFFFAOYSA-N -1 0 339.347 3.724 20 0 EHADRM C[C@H](C(=O)N(CC(=O)[O-])c1cccc(F)c1)c1ccc(Cl)cc1 ZINC001589341841 986258230 /nfs/dbraw/zinc/25/82/30/986258230.db2.gz NIQDLQJQKHARCQ-NSHDSACASA-N -1 0 335.762 3.700 20 0 EHADRM CCOc1c(Cl)cccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001596992512 986276579 /nfs/dbraw/zinc/27/65/79/986276579.db2.gz JWADBVLDSGJQCF-WDEREUQCSA-N -1 0 325.792 3.568 20 0 EHADRM CCOc1cc(Br)c(F)cc1NCCC(C)(C)C(=O)[O-] ZINC001596993616 986285487 /nfs/dbraw/zinc/28/54/87/986285487.db2.gz NGDLSACUAXLWNJ-UHFFFAOYSA-N -1 0 348.212 3.900 20 0 EHADRM C[C@@H](C(=O)N1C[C@H](C(=O)[O-])c2ccccc21)c1ccc(Cl)cc1 ZINC001589346841 986291501 /nfs/dbraw/zinc/29/15/01/986291501.db2.gz WODZFADTNFSNCC-ABAIWWIYSA-N -1 0 329.783 3.659 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)C(F)(F)Cc1ccccc1 ZINC001597009649 986345674 /nfs/dbraw/zinc/34/56/74/986345674.db2.gz OJKDYCUGEQQYHX-UHFFFAOYSA-N -1 0 349.333 3.600 20 0 EHADRM C[C@@H](C(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1)[C@@H](C)C(C)(C)C ZINC001589365540 986392058 /nfs/dbraw/zinc/39/20/58/986392058.db2.gz VMHITZZYDOYWFM-VXGBXAGGSA-N -1 0 335.419 3.727 20 0 EHADRM C[C@@H](C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1)c1ccc2ccccc2c1 ZINC001589369560 986416535 /nfs/dbraw/zinc/41/65/35/986416535.db2.gz UCITUMHCFYQJFB-MNVSYLFESA-N -1 0 325.408 3.513 20 0 EHADRM C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1)C1CCCC1 ZINC001589373532 986422752 /nfs/dbraw/zinc/42/27/52/986422752.db2.gz DXNLJJMLJUJREJ-QMTHXVAHSA-N -1 0 343.345 3.774 20 0 EHADRM CCOc1cc(C)ccc1NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001597031625 986450013 /nfs/dbraw/zinc/45/00/13/986450013.db2.gz KEPQQDBGLPLSPK-UHFFFAOYSA-N -1 0 342.395 3.756 20 0 EHADRM C[C@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])c1cccc(Cl)c1 ZINC001589385200 986473472 /nfs/dbraw/zinc/47/34/72/986473472.db2.gz CPLDNRXLPIHHLP-LRDDRELGSA-N -1 0 337.847 3.983 20 0 EHADRM C[C@@H](C(=O)N[C@H](CC(C)(C)C)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001589385990 986483388 /nfs/dbraw/zinc/48/33/88/986483388.db2.gz RIVMKWCAMOIIBQ-ZWNOBZJWSA-N -1 0 345.361 3.815 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)Nc1cccc(C(=O)[O-])c1OC ZINC001597038315 986484987 /nfs/dbraw/zinc/48/49/87/986484987.db2.gz LMXPAJFBLWBICF-UHFFFAOYSA-N -1 0 349.770 3.698 20 0 EHADRM C[C@@H](C(=O)NCCCCC1(C(=O)[O-])CCC1)c1ccc(F)c(F)c1 ZINC001589407727 986600596 /nfs/dbraw/zinc/60/05/96/986600596.db2.gz WVYUPQUSIQEYCE-GFCCVEGCSA-N -1 0 339.382 3.610 20 0 EHADRM C[C@H]1CSC[C@@H]1NC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001594611378 986604706 /nfs/dbraw/zinc/60/47/06/986604706.db2.gz ZXNWQVPZOUIQFF-SJCJKPOMSA-N -1 0 341.432 3.533 20 0 EHADRM C[C@@H]1Cc2cc(C(=O)Nc3ccc(F)c(C(=O)[O-])c3Cl)ccc2O1 ZINC001594617184 986638133 /nfs/dbraw/zinc/63/81/33/986638133.db2.gz ZGGFIWZEUSOHJU-MRVPVSSYSA-N -1 0 349.745 3.753 20 0 EHADRM CCOc1ccc(C[C@H](C)C(=O)Nc2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001597083966 986640558 /nfs/dbraw/zinc/64/05/58/986640558.db2.gz BXNWRYHTHDQBAE-AWEZNQCLSA-N -1 0 341.407 3.909 20 0 EHADRM C[C@@H]1N(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)CCOC1(C)C ZINC001594624650 986686951 /nfs/dbraw/zinc/68/69/51/986686951.db2.gz ATHQCPLGEGAPMA-LBPRGKRZSA-N -1 0 346.452 3.508 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(F)cc1C(=O)[O-])c1cn(C)c2ccccc12 ZINC001589435219 986744015 /nfs/dbraw/zinc/74/40/15/986744015.db2.gz HAVVWAUQQKGNCT-LLVKDONJSA-N -1 0 340.354 3.758 20 0 EHADRM CCOc1ccc(NC(=O)c2ccc(Cl)cc2)c(C(=O)[O-])c1F ZINC001597122749 986819978 /nfs/dbraw/zinc/81/99/78/986819978.db2.gz LCWGWEOWDPSQFP-UHFFFAOYSA-N -1 0 337.734 3.828 20 0 EHADRM CCOc1ccc2ccccc2c1C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC001597143733 986900943 /nfs/dbraw/zinc/90/09/43/986900943.db2.gz ICYKGLMYHDKCFX-HNNXBMFYSA-N -1 0 343.423 3.715 20 0 EHADRM CCOc1cccc(CCC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c1 ZINC001597153486 986937103 /nfs/dbraw/zinc/93/71/03/986937103.db2.gz JQMYAFOPBRVSMZ-UHFFFAOYSA-N -1 0 349.333 3.633 20 0 EHADRM CCOc1ccccc1[C@@H](CC)NC(=O)c1oc(C(=O)[O-])cc1C ZINC001597173300 987015133 /nfs/dbraw/zinc/01/51/33/987015133.db2.gz TXAPXQWLDVYKGI-CYBMUJFWSA-N -1 0 331.368 3.566 20 0 EHADRM C/C=C\C[C@H]1CCCN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)C1 ZINC001594686501 987066238 /nfs/dbraw/zinc/06/62/38/987066238.db2.gz XGAOKOAPFWKCOC-YPQKKHBXSA-N -1 0 330.428 3.914 20 0 EHADRM CCC(=CC(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1)CC ZINC001594691183 987087626 /nfs/dbraw/zinc/08/76/26/987087626.db2.gz QIPJVWOETIKJFK-UHFFFAOYSA-N -1 0 327.384 3.564 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)C2C[C@H]3CCCC[C@@H](C2)C3=O)cc1 ZINC001589501941 987101961 /nfs/dbraw/zinc/10/19/61/987101961.db2.gz BAPVCFXUYDKZNB-SLHHOWHOSA-N -1 0 343.423 3.599 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2Cc3ccc(Cl)cc32)cc1 ZINC001589502029 987102685 /nfs/dbraw/zinc/10/26/85/987102685.db2.gz CJROUKHOHAWERX-MGPLVRAMSA-N -1 0 329.783 3.807 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)Cc2ccccc2OC(F)F)cc1 ZINC001589504012 987111723 /nfs/dbraw/zinc/11/17/23/987111723.db2.gz JFUQZGDFYLACNV-LLVKDONJSA-N -1 0 349.333 3.657 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2CC[C@H]2c2ccc(F)cc2)cc1 ZINC001589510538 987136677 /nfs/dbraw/zinc/13/66/77/987136677.db2.gz VQCCUXKJZHZEIR-SJCJKPOMSA-N -1 0 342.370 3.993 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)cc1 ZINC001589511995 987145189 /nfs/dbraw/zinc/14/51/89/987145189.db2.gz FOJJDYAYFMMDMJ-PWXKEOIMSA-N -1 0 330.428 3.965 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NCc2coc3ccccc23)cc1 ZINC001589512133 987146626 /nfs/dbraw/zinc/14/66/26/987146626.db2.gz OETASPHNQLSSEI-GFCCVEGCSA-N -1 0 338.363 3.943 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cc3c(ccnc3Cl)o2)cc1 ZINC001589521268 987165325 /nfs/dbraw/zinc/16/53/25/987165325.db2.gz MFZOCWZXLSTMJA-VIFPVBQESA-N -1 0 344.754 3.922 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2nccc3ccsc32)cc1 ZINC001589521909 987171374 /nfs/dbraw/zinc/17/13/74/987171374.db2.gz XAEFAYUCAPQVGF-SNVBAGLBSA-N -1 0 326.377 3.737 20 0 EHADRM CCC(=O)c1ccc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cc1 ZINC001594716730 987190193 /nfs/dbraw/zinc/19/01/93/987190193.db2.gz CDJMVBCFXNTEON-LBPRGKRZSA-N -1 0 325.364 3.720 20 0 EHADRM CCC(=O)c1cc(C(=O)Nc2scc(C(=O)[O-])c2C)ccc1F ZINC001594718440 987198987 /nfs/dbraw/zinc/19/89/87/987198987.db2.gz UMRANVDRXBVPMC-UHFFFAOYSA-N -1 0 335.356 3.739 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cc(-c3cccs3)on2)c1 ZINC001589532187 987211479 /nfs/dbraw/zinc/21/14/79/987211479.db2.gz NUKXOLLJIMNOJF-SNVBAGLBSA-N -1 0 342.376 3.844 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2csc(-c3ccco3)n2)c1 ZINC001589532620 987216402 /nfs/dbraw/zinc/21/64/02/987216402.db2.gz RXOKALMSOOXCAM-SNVBAGLBSA-N -1 0 342.376 3.844 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2nc(Cl)ccc2Cl)c1 ZINC001589532781 987218010 /nfs/dbraw/zinc/21/80/10/987218010.db2.gz VWNPMIOWIFFPCG-MRVPVSSYSA-N -1 0 339.178 3.829 20 0 EHADRM CCS[C@H](C)c1noc(CNc2ccc(CC)cc2C(=O)[O-])n1 ZINC001597252890 987251056 /nfs/dbraw/zinc/25/10/56/987251056.db2.gz SSRKMCVWAKSRIU-SNVBAGLBSA-N -1 0 335.429 3.756 20 0 EHADRM CC[C@@H](C(=O)NCCOc1ccc(C(=O)[O-])cc1)C1CCC(C)CC1 ZINC001594733763 987255316 /nfs/dbraw/zinc/25/53/16/987255316.db2.gz FOUYTHGKZPIZPI-JTTJXQCZSA-N -1 0 347.455 3.732 20 0 EHADRM C[C@@H](C(=O)OCCCCCC(=O)[O-])c1ccc(Br)s1 ZINC001589548532 987277249 /nfs/dbraw/zinc/27/72/49/987277249.db2.gz GHFXWYZIPNEPCK-SECBINFHSA-N -1 0 349.246 3.802 20 0 EHADRM CCSCC[C@H](C)NC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001597259318 987280003 /nfs/dbraw/zinc/28/00/03/987280003.db2.gz PUYBISBUDYCZKZ-QMMMGPOBSA-N -1 0 348.827 3.831 20 0 EHADRM C[C@@H](C(=O)Oc1ccccc1CC(=O)[O-])c1cn(C)c2ccccc12 ZINC001589553226 987289207 /nfs/dbraw/zinc/28/92/07/987289207.db2.gz LOKUJYFYRBEZDH-CYBMUJFWSA-N -1 0 337.375 3.515 20 0 EHADRM CCSc1ccc([C@@H](C)NC(=O)Nc2cc(C(=O)[O-])ccn2)cc1 ZINC001597270766 987312298 /nfs/dbraw/zinc/31/22/98/987312298.db2.gz BOEJSTZLPVABET-LLVKDONJSA-N -1 0 345.424 3.775 20 0 EHADRM CCSc1ccc(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)cn1 ZINC001597271094 987317025 /nfs/dbraw/zinc/31/70/25/987317025.db2.gz UZDRFIGCOIPMIQ-UHFFFAOYSA-N -1 0 341.392 3.625 20 0 EHADRM CCSc1cccc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1 ZINC001597273073 987325982 /nfs/dbraw/zinc/32/59/82/987325982.db2.gz QEBPVMQDJJUPTO-CQSZACIVSA-N -1 0 335.469 3.762 20 0 EHADRM CC(C)(C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1)c1ccc(F)cc1 ZINC001589567347 987333444 /nfs/dbraw/zinc/33/34/44/987333444.db2.gz OKNAIULRUSEJGY-QGZVFWFLSA-N -1 0 349.446 3.891 20 0 EHADRM CCSc1cccnc1C(=O)OCc1cc(C(=O)[O-])ccc1C ZINC001597278951 987338416 /nfs/dbraw/zinc/33/84/16/987338416.db2.gz BEEYTTHUTDXNHE-UHFFFAOYSA-N -1 0 331.393 3.557 20 0 EHADRM CC(C)(C(=O)Nc1ncc(C(=O)[O-])s1)c1cccc2ccccc21 ZINC001589582627 987364358 /nfs/dbraw/zinc/36/43/58/987364358.db2.gz GZDWXHBRKCAWOJ-UHFFFAOYSA-N -1 0 340.404 3.911 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)/C=C/C=C(Cl)Cl)c1ccccc1 ZINC001589590476 987393750 /nfs/dbraw/zinc/39/37/50/987393750.db2.gz BVDNSXRFORZYFV-OAUONFCTSA-N -1 0 342.222 3.830 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)NCC1=CCCCC1)c1ccccc1 ZINC001589594713 987411530 /nfs/dbraw/zinc/41/15/30/987411530.db2.gz RCNKWECEDDQRES-INIZCTEOSA-N -1 0 330.428 3.638 20 0 EHADRM CC(C)(C(=O)[O-])N(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001589616594 987481857 /nfs/dbraw/zinc/48/18/57/987481857.db2.gz JJXPZZFKCKUGKQ-YESZJQIVSA-N -1 0 329.440 3.705 20 0 EHADRM CC[C@H]1CC[C@H](C(=O)NC[C@H](Cc2cccc(C)c2)C(=O)[O-])CC1 ZINC001597356599 987506168 /nfs/dbraw/zinc/50/61/68/987506168.db2.gz ZRWYWGAQOGBJME-SZMVWBNQSA-N -1 0 331.456 3.571 20 0 EHADRM CCc1[nH]c(C(=O)N[C@H]2c3ccccc3CC[C@@H]2C)c(C)c1C(=O)[O-] ZINC001597367138 987540650 /nfs/dbraw/zinc/54/06/50/987540650.db2.gz NMFHRHCYQYUATJ-APPDUMDISA-N -1 0 340.423 3.637 20 0 EHADRM CCc1[nH]c(C(=O)Nc2cc(OC)ccc2C2CC2)c(C)c1C(=O)[O-] ZINC001597372607 987555740 /nfs/dbraw/zinc/55/57/40/987555740.db2.gz FQAWDOCGXZAQLN-UHFFFAOYSA-N -1 0 342.395 3.722 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NC[C@@H]2CCC(F)(F)C2)cc1 ZINC001589638019 987558852 /nfs/dbraw/zinc/55/88/52/987558852.db2.gz UKQVLEUJSKUTOX-LLVKDONJSA-N -1 0 340.370 3.606 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2conc2C2CCCC2)cc1 ZINC001589640804 987562987 /nfs/dbraw/zinc/56/29/87/987562987.db2.gz HHYULZYFLJKAQG-UHFFFAOYSA-N -1 0 342.395 3.947 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(Nc2ncnc(-c3ccccc3)n2)cc1 ZINC001589641525 987564405 /nfs/dbraw/zinc/56/44/05/987564405.db2.gz VHDYYNIDWIZHIP-UHFFFAOYSA-N -1 0 334.379 3.644 20 0 EHADRM CCc1[nH]c(C[N@@H+]2C[C@@H](C)C[C@H]2c2ccccc2F)cc1C(=O)[O-] ZINC001597384259 987586608 /nfs/dbraw/zinc/58/66/08/987586608.db2.gz ISXBXHXUZYKUDZ-SGTLLEGYSA-N -1 0 330.403 3.998 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)C2(c3cccc(F)c3)CC2)c1 ZINC001589650654 987599209 /nfs/dbraw/zinc/59/92/09/987599209.db2.gz MTEQXLJWYYWCGU-UHFFFAOYSA-N -1 0 342.366 3.825 20 0 EHADRM CSCCc1ccc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000069164610 1015325883 /nfs/dbraw/zinc/32/58/83/1015325883.db2.gz BQGCPHKCERHOFB-KRWDZBQOSA-N -1 0 343.448 3.789 20 0 EHADRM CC(C)(C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1)[C@@H]1CCCCO1 ZINC001589681913 987716736 /nfs/dbraw/zinc/71/67/36/987716736.db2.gz KFUWJBHCZMQQLG-ZDUSSCGKSA-N -1 0 326.776 3.539 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)CCCc1ccccc1Cl ZINC001589701072 987795531 /nfs/dbraw/zinc/79/55/31/987795531.db2.gz UAXVFUMIQJNOKF-CQSZACIVSA-N -1 0 325.836 3.668 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)Cn2cc(C)c3ccccc32)s1 ZINC001597443584 987809882 /nfs/dbraw/zinc/80/98/82/987809882.db2.gz NXEGVYJTPNAZAL-UHFFFAOYSA-N -1 0 342.420 3.911 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2ncccc2CSC)s1 ZINC001597445893 987820137 /nfs/dbraw/zinc/82/01/37/987820137.db2.gz SFBWNNGTPAFJRF-UHFFFAOYSA-N -1 0 336.438 3.519 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N(C)C1CCC(F)(F)CC1 ZINC001597452280 987847107 /nfs/dbraw/zinc/84/71/07/987847107.db2.gz OVDYXAWAYZMICM-UHFFFAOYSA-N -1 0 340.370 3.989 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N(CCOC)[C@@H]1CC[C@H](C)C1 ZINC001597454103 987859678 /nfs/dbraw/zinc/85/96/78/987859678.db2.gz YSDATUUIIMSZEI-XJKSGUPXSA-N -1 0 348.443 3.616 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)Cc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC001589716891 987862299 /nfs/dbraw/zinc/86/22/99/987862299.db2.gz UATFIZDVABKLDA-SFHVURJKSA-N -1 0 343.398 3.970 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCS[C@H](C(C)C)C1 ZINC001597457536 987874431 /nfs/dbraw/zinc/87/44/31/987874431.db2.gz VNPMBKHYQQGROR-HNNXBMFYSA-N -1 0 336.457 3.553 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCc1cccc(C)c1OC ZINC001597460097 987889446 /nfs/dbraw/zinc/88/94/46/987889446.db2.gz STGUGEFCLVWWQO-UHFFFAOYSA-N -1 0 342.395 3.586 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCc1ccc(C)cc1OC ZINC001597460418 987890660 /nfs/dbraw/zinc/89/06/60/987890660.db2.gz YHWALCCCIGCLJD-UHFFFAOYSA-N -1 0 342.395 3.586 20 0 EHADRM CC(C)(C)[C@H](Sc1n[nH]c(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC001589723308 987899780 /nfs/dbraw/zinc/89/97/80/987899780.db2.gz VPBBYOYXCAHVBD-SNVBAGLBSA-N -1 0 325.821 3.717 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(-c2cnn(C)c2)cc1 ZINC001597465377 987903337 /nfs/dbraw/zinc/90/33/37/987903337.db2.gz VHYFFNCGRWLVHH-UHFFFAOYSA-N -1 0 349.390 3.600 20 0 EHADRM CSC1(CNC(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CC1 ZINC001599785117 987908557 /nfs/dbraw/zinc/90/85/57/987908557.db2.gz XAASSVLPRXSVGD-UHFFFAOYSA-N -1 0 336.438 3.617 20 0 EHADRM CCc1cc(C)c(C(=O)Nc2cccc(SCCC(=O)[O-])c2)o1 ZINC001597471377 987933270 /nfs/dbraw/zinc/93/32/70/987933270.db2.gz GMTBNKABCQEDQM-UHFFFAOYSA-N -1 0 333.409 3.970 20 0 EHADRM CS[C@@H]1CC[C@H](NC(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)C1 ZINC001599787418 987947359 /nfs/dbraw/zinc/94/73/59/987947359.db2.gz DQPXNJHEPJZXGM-GXTWGEPZSA-N -1 0 344.436 3.944 20 0 EHADRM CS[C@@H]1CC[C@H](NC(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)C1 ZINC001599787944 987955847 /nfs/dbraw/zinc/95/58/47/987955847.db2.gz JMLACPKEQGYQMD-IONNQARKSA-N -1 0 346.811 3.583 20 0 EHADRM CC(C)(C)[C@@H]1CCN([C@@H](C(=O)[O-])c2ccccc2Cl)CCO1 ZINC001589732468 987961554 /nfs/dbraw/zinc/96/15/54/987961554.db2.gz QIAOCEPPPQBUNL-LSDHHAIUSA-N -1 0 325.836 3.603 20 0 EHADRM CCc1cc(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)ccc1F ZINC001597482045 987976005 /nfs/dbraw/zinc/97/60/05/987976005.db2.gz YHVAKWKKQUUQJV-UHFFFAOYSA-N -1 0 340.354 3.680 20 0 EHADRM CS[C@@H]1CCC[C@H](NC(=O)Nc2c(C)sc(C)c2C(=O)[O-])C1 ZINC001599789369 987980369 /nfs/dbraw/zinc/98/03/69/987980369.db2.gz RUXWLKSLESDRMN-WDEREUQCSA-N -1 0 342.486 3.859 20 0 EHADRM CCc1cc2c(nc(C)nc2Oc2cccc(CC(=O)[O-])c2)s1 ZINC001597489430 988010268 /nfs/dbraw/zinc/01/02/68/988010268.db2.gz KAWMPGOWELIZRZ-UHFFFAOYSA-N -1 0 328.393 3.982 20 0 EHADRM CCc1cc2c(ncnc2NC[C@@H](CC2CCCC2)C(=O)[O-])s1 ZINC001597489565 988011464 /nfs/dbraw/zinc/01/14/64/988011464.db2.gz LOPQJKFPRYNUFU-GFCCVEGCSA-N -1 0 333.457 3.947 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)NCC(C)(C)CC(=O)[O-])c1ccccc1 ZINC001589746227 988046015 /nfs/dbraw/zinc/04/60/15/988046015.db2.gz ZQOFADVUVCBNGQ-OAHLLOKOSA-N -1 0 334.460 3.964 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)C(=O)[O-] ZINC001589750803 988048256 /nfs/dbraw/zinc/04/82/56/988048256.db2.gz DAPMSAVCBXTPSR-QGZVFWFLSA-N -1 0 342.439 3.666 20 0 EHADRM CCc1ccc(C(=O)CCC(=O)OCc2cc(C(=O)[O-])oc2C)cc1 ZINC001597498868 988048804 /nfs/dbraw/zinc/04/88/04/988048804.db2.gz QJHDAKTXPYIPOK-UHFFFAOYSA-N -1 0 344.363 3.555 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)c1nc2ccccc2cc1C1CC1)C(=O)[O-] ZINC001589752273 988063581 /nfs/dbraw/zinc/06/35/81/988063581.db2.gz SZVNKSQNNJLXQV-MRXNPFEDSA-N -1 0 340.423 3.731 20 0 EHADRM CCc1ccc(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)c(O)c1 ZINC001597503289 988071051 /nfs/dbraw/zinc/07/10/51/988071051.db2.gz OQKHFNFQOVMDPD-UHFFFAOYSA-N -1 0 348.424 3.659 20 0 EHADRM CSCC[C@@H](C)NC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001599795350 988088390 /nfs/dbraw/zinc/08/83/90/988088390.db2.gz LOPCSIQSKMBKHU-LLVKDONJSA-N -1 0 342.486 3.517 20 0 EHADRM CC(C)(C)CC[C@H](NC1CCC(C(=O)[O-])CC1)C(=O)OC(C)(C)C ZINC001589766613 988114140 /nfs/dbraw/zinc/11/41/40/988114140.db2.gz LGSQNAJUWRSRLJ-NRXISQOPSA-N -1 0 341.492 3.756 20 0 EHADRM CSCC[C@@H](OC(=O)c1cccc(Nc2ccccc2)c1)C(=O)[O-] ZINC001599797384 988119340 /nfs/dbraw/zinc/11/93/40/988119340.db2.gz BUWDTSORNDGNJV-MRXNPFEDSA-N -1 0 345.420 3.793 20 0 EHADRM CC(C)(C)CCCCNC(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001589771840 988125393 /nfs/dbraw/zinc/12/53/93/988125393.db2.gz KBNMDGVDKXIAPP-UHFFFAOYSA-N -1 0 341.477 3.843 20 0 EHADRM CCc1ccc([C@H]2CCCCCN2C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)o1 ZINC001597517840 988135501 /nfs/dbraw/zinc/13/55/01/988135501.db2.gz QBLWQBVQHOULKL-GDBMZVCRSA-N -1 0 346.427 3.642 20 0 EHADRM CCc1ccc(F)cc1C(=O)N1c2ccccc2C[C@H](C)[C@@H]1C(=O)[O-] ZINC001597530508 988185473 /nfs/dbraw/zinc/18/54/73/988185473.db2.gz DTLWOTZAUAWGIS-KPZWWZAWSA-N -1 0 341.382 3.680 20 0 EHADRM CCc1ccc(F)cc1C(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC001597530642 988186707 /nfs/dbraw/zinc/18/67/07/988186707.db2.gz INJHUFXJOZABBR-KRWDZBQOSA-N -1 0 329.371 3.561 20 0 EHADRM CSCc1ccc(NC(=O)NCCc2ccccc2C(=O)[O-])cc1 ZINC001599802583 988200950 /nfs/dbraw/zinc/20/09/50/988200950.db2.gz NFKAYFXEZNPBLN-UHFFFAOYSA-N -1 0 344.436 3.612 20 0 EHADRM CSCc1ccc(C(=O)Oc2cc(C(=O)[O-])cc(F)c2C)cc1 ZINC001599802611 988202061 /nfs/dbraw/zinc/20/20/61/988202061.db2.gz PBIWFJFBNNUKGC-UHFFFAOYSA-N -1 0 334.368 3.915 20 0 EHADRM CSc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccc(C)cc2)ccc1F ZINC001599806264 988261652 /nfs/dbraw/zinc/26/16/52/988261652.db2.gz BGYKBALEZLAZNG-OAHLLOKOSA-N -1 0 347.411 3.802 20 0 EHADRM CCc1ccc(NC(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1 ZINC001597547735 988262564 /nfs/dbraw/zinc/26/25/64/988262564.db2.gz OIJBVZOWPLCIDA-QZTJIDSGSA-N -1 0 338.407 3.581 20 0 EHADRM CCc1ccc(NC(=O)c2cc3c(ccnc3Cl)o2)c(C(=O)[O-])c1 ZINC001597551006 988271598 /nfs/dbraw/zinc/27/15/98/988271598.db2.gz SFYDQLKYPXWYLG-UHFFFAOYSA-N -1 0 344.754 3.994 20 0 EHADRM CCc1ccc(O)c(NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])c1 ZINC001597556886 988292647 /nfs/dbraw/zinc/29/26/47/988292647.db2.gz XZEFBGLRZXAXEV-NSHDSACASA-N -1 0 345.420 3.772 20 0 EHADRM CCc1ccc(S(=O)(=O)[C@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC001597557749 988298646 /nfs/dbraw/zinc/29/86/46/988298646.db2.gz OQDGALKNWGRFJL-HNNXBMFYSA-N -1 0 338.812 3.502 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2CCC(C)(C)C2)cc1 ZINC001599810524 988325565 /nfs/dbraw/zinc/32/55/65/988325565.db2.gz AKIUAFUTTFONNG-HIFRSBDPSA-N -1 0 335.469 3.867 20 0 EHADRM CCc1ccc2c(c1)CCN2C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001597569411 988335007 /nfs/dbraw/zinc/33/50/07/988335007.db2.gz QPUNJARYGQJMJF-UHFFFAOYSA-N -1 0 328.343 3.681 20 0 EHADRM CCc1ccc2occ(C(=O)N(CC(=O)[O-])C3CCCCC3)c2c1 ZINC001597570450 988343003 /nfs/dbraw/zinc/34/30/03/988343003.db2.gz JTWCUKPZXWLMHK-UHFFFAOYSA-N -1 0 329.396 3.855 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1c(F)c(F)cc(F)c1F ZINC001597572948 988356781 /nfs/dbraw/zinc/35/67/81/988356781.db2.gz PBIHVBWBJTVFCK-UHFFFAOYSA-N -1 0 341.260 3.756 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001597576747 988368257 /nfs/dbraw/zinc/36/82/57/988368257.db2.gz SNRDOFJAPSFIBM-JTQLQIEISA-N -1 0 333.334 3.968 20 0 EHADRM CSc1ccc(/C=C/C(=O)Nc2cnc(C)c(C(=O)[O-])c2)s1 ZINC001599813576 988381131 /nfs/dbraw/zinc/38/11/31/988381131.db2.gz XSZGNGULITXQQC-HWKANZROSA-N -1 0 334.422 3.524 20 0 EHADRM CSc1ccc(NC(=O)/C=C/c2ccccc2F)cc1C(=O)[O-] ZINC001599815666 988419333 /nfs/dbraw/zinc/41/93/33/988419333.db2.gz FKGCMNPQNITTTL-RMKNXTFCSA-N -1 0 331.368 3.898 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cnnc(-c2ccccc2)c1 ZINC001597593017 988423697 /nfs/dbraw/zinc/42/36/97/988423697.db2.gz KVPUHDWORZPESA-UHFFFAOYSA-N -1 0 347.374 3.657 20 0 EHADRM CSc1ccc(NC(=O)[C@@H](C)c2ccccc2F)cc1C(=O)[O-] ZINC001599816030 988425783 /nfs/dbraw/zinc/42/57/83/988425783.db2.gz MOEZAYXWZHFMPN-JTQLQIEISA-N -1 0 333.384 3.988 20 0 EHADRM CSc1ccc(NC(=O)/C=C/c2ccc(Cl)nc2)cc1C(=O)[O-] ZINC001599816257 988429516 /nfs/dbraw/zinc/42/95/16/988429516.db2.gz SBVVIMCJMZAOAU-XVNBXDOJSA-N -1 0 348.811 3.807 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cnc2c(F)cccc2c1 ZINC001597594243 988432826 /nfs/dbraw/zinc/43/28/26/988432826.db2.gz QEOBIDDFUBIFCL-UHFFFAOYSA-N -1 0 338.338 3.887 20 0 EHADRM CCc1cccc(NC(=O)CSCc2ccc(C(=O)[O-])s2)c1 ZINC001597595474 988441881 /nfs/dbraw/zinc/44/18/81/988441881.db2.gz RMLNAXXDQYHNBS-UHFFFAOYSA-N -1 0 335.450 3.881 20 0 EHADRM CCc1cccc(OC)c1COC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001597598429 988451587 /nfs/dbraw/zinc/45/15/87/988451587.db2.gz VHINPXHVRPOKQL-UHFFFAOYSA-N -1 0 346.423 3.726 20 0 EHADRM CSc1ccc(NC(=O)NC/C=C\c2ccccc2)cc1C(=O)[O-] ZINC001599818185 988464960 /nfs/dbraw/zinc/46/49/60/988464960.db2.gz AJCDXJNIZOARGJ-YVMONPNESA-N -1 0 342.420 3.942 20 0 EHADRM CSc1ccc(NC(=O)NC[C@H]2CCCCS2)cc1C(=O)[O-] ZINC001599818402 988469032 /nfs/dbraw/zinc/46/90/32/988469032.db2.gz FRHUGFRCOFKIHN-LLVKDONJSA-N -1 0 340.470 3.514 20 0 EHADRM CSc1ccc(NC(=O)NCc2ccccc2F)cc1C(=O)[O-] ZINC001599819367 988485382 /nfs/dbraw/zinc/48/53/82/988485382.db2.gz VTMHVBNOKXZRJX-UHFFFAOYSA-N -1 0 334.372 3.568 20 0 EHADRM CSc1ccc(OCCSc2nc(C(=O)[O-])cs2)cc1 ZINC001599820051 988495992 /nfs/dbraw/zinc/49/59/92/988495992.db2.gz HFZHGJNQCBVDMU-UHFFFAOYSA-N -1 0 327.452 3.734 20 0 EHADRM CSc1cccc(N(C)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC001599821941 988529219 /nfs/dbraw/zinc/52/92/19/988529219.db2.gz LCBSCZAKLOMSCU-UHFFFAOYSA-N -1 0 334.372 3.914 20 0 EHADRM CCc1ccccc1OCCC(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC001597616576 988540313 /nfs/dbraw/zinc/54/03/13/988540313.db2.gz NTXXXNNHINLJHP-UHFFFAOYSA-N -1 0 347.455 3.559 20 0 EHADRM CCc1ccnc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2Cl)c1 ZINC001597622965 988565674 /nfs/dbraw/zinc/56/56/74/988565674.db2.gz GYHKDDHQXFDNBD-UHFFFAOYSA-N -1 0 339.178 3.901 20 0 EHADRM CCc1cnc(CSCCOc2ccc(/C=C/C(=O)[O-])cc2)o1 ZINC001597631270 988595854 /nfs/dbraw/zinc/59/58/54/988595854.db2.gz QGKUDMLLAQYTNY-VMPITWQZSA-N -1 0 333.409 3.647 20 0 EHADRM CSc1ccccc1[C@@H](C)NC(=O)NCCCCCCC(=O)[O-] ZINC001599826044 988599653 /nfs/dbraw/zinc/59/96/53/988599653.db2.gz FIZPGJYPNICCQO-CYBMUJFWSA-N -1 0 338.473 3.804 20 0 EHADRM CSc1nc2ccc(NC(=O)c3cccc(C(=O)[O-])c3)cc2s1 ZINC001599827869 988625331 /nfs/dbraw/zinc/62/53/31/988625331.db2.gz LCWCYWBFOOUXOE-UHFFFAOYSA-N -1 0 344.417 3.969 20 0 EHADRM CCc1nc(C)c([C@@H](C)N(C)Cc2cc(C(=O)[O-])c(CC)[nH]2)s1 ZINC001597656468 988709129 /nfs/dbraw/zinc/70/91/29/988709129.db2.gz CLFSNJZIMBYWPA-LLVKDONJSA-N -1 0 335.473 3.796 20 0 EHADRM C[C@@H](NC(=O)/C=C\c1cc(C(=O)[O-])co1)c1ccc(Cl)s1 ZINC001599838119 988777556 /nfs/dbraw/zinc/77/75/56/988777556.db2.gz UANBNPDXTNEUSB-ZTHSNPKKSA-N -1 0 325.773 3.583 20 0 EHADRM C[C@@H](NC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21)C1CCCC1 ZINC001599839955 988809475 /nfs/dbraw/zinc/80/94/75/988809475.db2.gz NXROMBYUEZSVOV-CXAGYDPISA-N -1 0 344.455 3.683 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)C(C)(C)C ZINC001599840439 988817075 /nfs/dbraw/zinc/81/70/75/988817075.db2.gz WQKXTZUPQWYWOZ-MRVPVSSYSA-N -1 0 330.331 3.542 20 0 EHADRM C[C@@H](OC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1cccc(OC(F)F)c1 ZINC001599846148 988935149 /nfs/dbraw/zinc/93/51/49/988935149.db2.gz CNFBYTNNUOYGMF-KGYLQXTDSA-N -1 0 342.338 3.783 20 0 EHADRM C[C@@H]1CC(C)(C)C[C@](C)(NC(=O)NCc2ccc(C(=O)[O-])s2)C1 ZINC001599847586 988959216 /nfs/dbraw/zinc/95/92/16/988959216.db2.gz SFVQOOPZZJTQIC-PIGZYNQJSA-N -1 0 338.473 3.850 20 0 EHADRM CCc1ncsc1C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC001597710920 988968923 /nfs/dbraw/zinc/96/89/23/988968923.db2.gz SQLYYAGGDYTBAT-UHFFFAOYSA-N -1 0 346.433 3.548 20 0 EHADRM CC(=O)CCCC(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000274829888 1015448908 /nfs/dbraw/zinc/44/89/08/1015448908.db2.gz RPZLKKSVGFORDL-UHFFFAOYSA-N -1 0 334.597 3.506 20 0 EHADRM C[C@@H]1CN(c2nc(Cl)c(C(F)(F)F)cc2Cl)C[C@H]1C(=O)[O-] ZINC001599869422 989324570 /nfs/dbraw/zinc/32/45/70/989324570.db2.gz YWKBDJHUKFQBSM-PHDIDXHHSA-N -1 0 343.132 3.564 20 0 EHADRM CCc1oc(CN[C@@H](C)c2cc(F)ccc2N(C)C)cc1C(=O)[O-] ZINC001597800340 989392386 /nfs/dbraw/zinc/39/23/86/989392386.db2.gz ZBMPBTGCUDIPCM-NSHDSACASA-N -1 0 334.391 3.596 20 0 EHADRM CCc1oc(CNc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1C(=O)OC ZINC001597804466 989406425 /nfs/dbraw/zinc/40/64/25/989406425.db2.gz CIGALWKDSBWCFD-LBPRGKRZSA-N -1 0 345.395 3.504 20 0 EHADRM CCc1oc2ccccc2c1C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001597807771 989421565 /nfs/dbraw/zinc/42/15/65/989421565.db2.gz KEMOBTRMJTWKBW-UHFFFAOYSA-N -1 0 339.347 3.954 20 0 EHADRM CCc1oc2ccccc2c1C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC001597808277 989424641 /nfs/dbraw/zinc/42/46/41/989424641.db2.gz WZCUZPKYEXKPHU-UHFFFAOYSA-N -1 0 342.322 3.981 20 0 EHADRM CCc1onc(C)c1CN[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001597813557 989433813 /nfs/dbraw/zinc/43/38/13/989433813.db2.gz GNXGOXLZRPLCAA-CQSZACIVSA-N -1 0 343.210 3.768 20 0 EHADRM CC(C)(C)OC(=O)NCCSCc1cccc(C(=O)[O-])c1Cl ZINC001590202040 989571434 /nfs/dbraw/zinc/57/14/34/989571434.db2.gz SNUIPENQBFTSQT-UHFFFAOYSA-N -1 0 345.848 3.796 20 0 EHADRM CCn1c(S[C@@H](C(=O)[O-])c2ccccc2C)nnc1-c1ccco1 ZINC001597861578 989637383 /nfs/dbraw/zinc/63/73/83/989637383.db2.gz APXNJORXRXMXBA-CQSZACIVSA-N -1 0 343.408 3.784 20 0 EHADRM CC(C)(C)OC(=O)n1cc(-c2ccc3c(c2)COC3)cc1C(=O)[O-] ZINC001590369744 989861220 /nfs/dbraw/zinc/86/12/20/989861220.db2.gz RFOCRPZHJLBKSX-UHFFFAOYSA-N -1 0 329.352 3.667 20 0 EHADRM CC(C)(C)OC1CC(CC(=O)N2CCCc3c(C(=O)[O-])cccc32)C1 ZINC001590374047 989865518 /nfs/dbraw/zinc/86/55/18/989865518.db2.gz CMEGEDLGVCPJSV-UHFFFAOYSA-N -1 0 345.439 3.648 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)N[C@](C)(CC(=O)[O-])C2CC2)c1 ZINC001590398576 989930594 /nfs/dbraw/zinc/93/05/94/989930594.db2.gz HDAHWTULZJEWAD-LJQANCHMSA-N -1 0 348.443 3.767 20 0 EHADRM CC(C)(C)SCCCC(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001590429307 989979372 /nfs/dbraw/zinc/97/93/72/989979372.db2.gz AAZFABUZDRADKH-UHFFFAOYSA-N -1 0 330.837 3.684 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)s1 ZINC001590472091 990042670 /nfs/dbraw/zinc/04/26/70/990042670.db2.gz IZFDNDJYTDHBSJ-CYBMUJFWSA-N -1 0 345.420 3.538 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)s1 ZINC001590475347 990049174 /nfs/dbraw/zinc/04/91/74/990049174.db2.gz KNVAVYXMSZYZQS-AWEZNQCLSA-N -1 0 335.400 3.740 20 0 EHADRM CC(C)(C)c1ccc(C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001590475838 990051902 /nfs/dbraw/zinc/05/19/02/990051902.db2.gz YMWQMVBIPDWZCG-QGZVFWFLSA-N -1 0 343.398 3.721 20 0 EHADRM CC(C)(C)c1ccc(CCCCC(=O)Nc2[nH]cnc2C(=O)[O-])cc1 ZINC001590484860 990080325 /nfs/dbraw/zinc/08/03/25/990080325.db2.gz GTBCJJNFFXKFQD-UHFFFAOYSA-N -1 0 343.427 3.757 20 0 EHADRM CN(C(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1)C1CCCCCCC1 ZINC001597991167 990090267 /nfs/dbraw/zinc/09/02/67/990090267.db2.gz CKOCUVXKJATWPA-XLIONFOSSA-N -1 0 329.440 3.816 20 0 EHADRM CC(C)(C)c1ccc(NCC(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC001590492952 990093774 /nfs/dbraw/zinc/09/37/74/990093774.db2.gz GWOYWRVMNNTCSX-UHFFFAOYSA-N -1 0 326.396 3.733 20 0 EHADRM CC(C)(C)c1ccc(SCC(=O)N2CCCCC[C@@H]2C(=O)[O-])cc1 ZINC001590500043 990113960 /nfs/dbraw/zinc/11/39/60/990113960.db2.gz AKPIQCLYSJILFN-MRXNPFEDSA-N -1 0 349.496 3.932 20 0 EHADRM CC(C)(C)c1ccc2[nH]c(C(=O)N(CC(=O)[O-])C3CCCC3)cc2c1 ZINC001590500620 990114753 /nfs/dbraw/zinc/11/47/53/990114753.db2.gz HHYHDVLCSLZCKZ-UHFFFAOYSA-N -1 0 342.439 3.935 20 0 EHADRM CN(C(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1ccccc1C(=O)[O-] ZINC001597998416 990124400 /nfs/dbraw/zinc/12/44/00/990124400.db2.gz MFFYGQPAUMMXID-NWDGAFQWSA-N -1 0 349.308 3.569 20 0 EHADRM CC(C)(C)c1ccncc1CNC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001590515354 990125149 /nfs/dbraw/zinc/12/51/49/990125149.db2.gz GZICEXVIVJPBEB-UHFFFAOYSA-N -1 0 345.374 3.538 20 0 EHADRM CC(C)(C)c1cnc(CN2CCOc3cc(C(=O)[O-])ccc3C2)s1 ZINC001590515861 990132018 /nfs/dbraw/zinc/13/20/18/990132018.db2.gz LTAZMYJOVLPURB-UHFFFAOYSA-N -1 0 346.452 3.533 20 0 EHADRM CN(C(=O)CC(F)(F)F)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598007160 990164950 /nfs/dbraw/zinc/16/49/50/990164950.db2.gz FSLAPWAVLLYVNK-JTQLQIEISA-N -1 0 344.116 3.530 20 0 EHADRM CN(C(=O)CC1(CSc2ccccc2)CC1)C(C)(C)CC(=O)[O-] ZINC001598007634 990167549 /nfs/dbraw/zinc/16/75/49/990167549.db2.gz KTVQHSXCTYOIDN-UHFFFAOYSA-N -1 0 335.469 3.661 20 0 EHADRM CC(C)(C)c1nc(NC(=O)[C@@H]2C[C@H]2C2CCCC2)sc1C(=O)[O-] ZINC001590542530 990173893 /nfs/dbraw/zinc/17/38/93/990173893.db2.gz YWEPFRPIANPAHQ-WDEREUQCSA-N -1 0 336.457 3.904 20 0 EHADRM CN(C(=O)COc1ccc(Cl)c2ccccc12)C(C)(C)CC(=O)[O-] ZINC001598031719 990252084 /nfs/dbraw/zinc/25/20/84/990252084.db2.gz SXVNVSZPLOTWOW-UHFFFAOYSA-N -1 0 349.814 3.584 20 0 EHADRM CN(C(=O)NC[C@H](CC(=O)[O-])C1CC1)C1CC(C)(C)CC(C)(C)C1 ZINC001598046749 990284749 /nfs/dbraw/zinc/28/47/49/990284749.db2.gz IOLGWSNKKDYQPR-AWEZNQCLSA-N -1 0 338.492 3.734 20 0 EHADRM CC(C)(CC(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC001590621902 990303813 /nfs/dbraw/zinc/30/38/13/990303813.db2.gz RSCMOSMDRLPGSP-GOSISDBHSA-N -1 0 339.435 3.557 20 0 EHADRM CC(C)(CC(=O)Nc1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 ZINC001590621853 990304019 /nfs/dbraw/zinc/30/40/19/990304019.db2.gz PUYZJBZBIKMZOJ-UHFFFAOYSA-N -1 0 333.334 3.969 20 0 EHADRM CN(C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)C1CCCCC1 ZINC001598056119 990313750 /nfs/dbraw/zinc/31/37/50/990313750.db2.gz DYCWIPAEIHJFOT-UHFFFAOYSA-N -1 0 328.771 3.974 20 0 EHADRM CC(C)(CC1CCCCCC1)NC(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001590653687 990343200 /nfs/dbraw/zinc/34/32/00/990343200.db2.gz DICLKXOXOJDPIO-INIZCTEOSA-N -1 0 338.492 3.926 20 0 EHADRM CN(C(=O)[C@H]1CC[C@H](C2CCC2)CC1)[C@H](C(=O)[O-])c1ccccc1 ZINC001598071949 990367101 /nfs/dbraw/zinc/36/71/01/990367101.db2.gz AILMFLMQXJSOSF-SZMVWBNQSA-N -1 0 329.440 3.877 20 0 EHADRM CN(C(=O)c1ccccc1CCC(=O)[O-])c1ccc(F)c(Cl)c1 ZINC001598093697 990442142 /nfs/dbraw/zinc/44/21/42/990442142.db2.gz QSHLDDIEIQWDKD-UHFFFAOYSA-N -1 0 335.762 3.773 20 0 EHADRM CN(C(=O)c1ccsc1C(=O)[O-])c1cccc(OC(F)(F)F)c1 ZINC001598096560 990453376 /nfs/dbraw/zinc/45/33/76/990453376.db2.gz VWUPMLOTNYGQRN-UHFFFAOYSA-N -1 0 345.298 3.622 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(C(=O)[O-])nc1)c1ccccc1Cl ZINC001590734445 990529677 /nfs/dbraw/zinc/52/96/77/990529677.db2.gz UXRCMWUESFQMNI-UHFFFAOYSA-N -1 0 347.802 3.533 20 0 EHADRM CC(C)(CNC(=O)c1csc(-c2ccc(Cl)cc2)c1)C(=O)[O-] ZINC001590757430 990557365 /nfs/dbraw/zinc/55/73/65/990557365.db2.gz WDTYABCODDKINI-UHFFFAOYSA-N -1 0 337.828 3.909 20 0 EHADRM CC(C)(CNc1cc(C(=O)[O-])ncn1)c1cccc(C(F)(F)F)c1 ZINC001590774177 990575671 /nfs/dbraw/zinc/57/56/71/990575671.db2.gz GAYZLPGNALLVJL-UHFFFAOYSA-N -1 0 339.317 3.583 20 0 EHADRM CC(C)(CSc1nnc(Nc2ccccc2F)s1)C(=O)[O-] ZINC001590820646 990656805 /nfs/dbraw/zinc/65/68/05/990656805.db2.gz XKPVYADXMJIRIW-UHFFFAOYSA-N -1 0 327.406 3.624 20 0 EHADRM CC(C)(Oc1cccc(Cl)c1)c1nc(-c2cc(C(=O)[O-])co2)no1 ZINC001590907500 990874460 /nfs/dbraw/zinc/87/44/60/990874460.db2.gz ZGHPOFPVGIUTHY-UHFFFAOYSA-N -1 0 348.742 3.995 20 0 EHADRM CC(C)(c1nnc(NCc2ccc(C(=O)[O-])o2)s1)c1ccccc1 ZINC001590908756 990876896 /nfs/dbraw/zinc/87/68/96/990876896.db2.gz KUJBIPPFVZNZBW-UHFFFAOYSA-N -1 0 343.408 3.767 20 0 EHADRM CC(C)=C(C)CC(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC001590912535 990886839 /nfs/dbraw/zinc/88/68/39/990886839.db2.gz KURIEOCQIQLLCH-GOSISDBHSA-N -1 0 339.435 3.946 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)NC2(C(=O)[O-])CCCCCC2)c1 ZINC001590925125 990923704 /nfs/dbraw/zinc/92/37/04/990923704.db2.gz VAETYWORSRBYLT-UHFFFAOYSA-N -1 0 345.439 3.939 20 0 EHADRM CC(C)=CCOc1cccc(CC(=O)OCc2ccc(C(=O)[O-])o2)c1 ZINC001590926799 990926492 /nfs/dbraw/zinc/92/64/92/990926492.db2.gz GGLREATXJZLKLP-UHFFFAOYSA-N -1 0 344.363 3.609 20 0 EHADRM COc1cccc2c(C(=O)Nc3ccc(F)c(C(=O)[O-])c3F)coc21 ZINC001599689803 991049917 /nfs/dbraw/zinc/04/99/17/991049917.db2.gz SUCDRZAYOCOVJG-UHFFFAOYSA-N -1 0 347.273 3.670 20 0 EHADRM CC(C)C(C)(C)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001590960836 991054070 /nfs/dbraw/zinc/05/40/70/991054070.db2.gz JHNCWZOVJFTIOK-UHFFFAOYSA-N -1 0 328.206 3.768 20 0 EHADRM CN(C)Cc1cnc(CNc2ccc3sc(C(=O)[O-])cc3c2)s1 ZINC001598256878 991068437 /nfs/dbraw/zinc/06/84/37/991068437.db2.gz WVUMMIKZIAPBOP-UHFFFAOYSA-N -1 0 347.465 3.730 20 0 EHADRM COc1ccccc1-c1cccc(NC(=O)c2ccc(C(=O)[O-])[nH]2)c1 ZINC001599692277 991089378 /nfs/dbraw/zinc/08/93/78/991089378.db2.gz NVHGMCWONULAKE-UHFFFAOYSA-N -1 0 336.347 3.641 20 0 EHADRM CC(C)[C@H](C)C(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001590969546 991096823 /nfs/dbraw/zinc/09/68/23/991096823.db2.gz FDFOKWADYPQSKH-LBPRGKRZSA-N -1 0 328.368 3.803 20 0 EHADRM CC(C)[C@H](C)N(C(=O)c1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC001590970261 991102204 /nfs/dbraw/zinc/10/22/04/991102204.db2.gz RKTARTLXXCUMQM-HNNXBMFYSA-N -1 0 341.407 3.841 20 0 EHADRM CC(C)[C@H](CC(F)(F)F)NC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001590975737 991119962 /nfs/dbraw/zinc/11/99/62/991119962.db2.gz HECLCBFJMSAYIE-NSHDSACASA-N -1 0 336.285 3.622 20 0 EHADRM CC(C)[C@H](CNC(=O)NCC1(CC(=O)[O-])CCCC1)c1ccccc1 ZINC001590983221 991158617 /nfs/dbraw/zinc/15/86/17/991158617.db2.gz FEOCHUVDFAOIRZ-KRWDZBQOSA-N -1 0 346.471 3.761 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)[C@@H](F)CC1CCCCC1 ZINC001598292457 991204803 /nfs/dbraw/zinc/20/48/03/991204803.db2.gz HWSIPFLJUAGGFF-AWEZNQCLSA-N -1 0 336.407 3.698 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)NC(C)(C)c1cccs1 ZINC001598294644 991221303 /nfs/dbraw/zinc/22/13/03/991221303.db2.gz NEYOFSFRLHYYHG-UHFFFAOYSA-N -1 0 347.440 3.569 20 0 EHADRM CC(C)[C@H](F)C(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC001590997028 991240298 /nfs/dbraw/zinc/24/02/98/991240298.db2.gz UUNMWPZZENEYHJ-KRWDZBQOSA-N -1 0 345.370 3.896 20 0 EHADRM CC(C)[C@@H](NC(=O)NCCCCCCC(=O)[O-])c1ccc(F)cc1 ZINC001591013362 991282799 /nfs/dbraw/zinc/28/27/99/991282799.db2.gz NJPBYZNFZZOHMB-QGZVFWFLSA-N -1 0 338.423 3.857 20 0 EHADRM COc1ccccc1/C=C(/C(=O)O[C@H](C)CC(=O)[O-])c1ccccc1 ZINC001599705556 991287406 /nfs/dbraw/zinc/28/74/06/991287406.db2.gz LMPYMXXAHCYNPR-INQVIGDZSA-N -1 0 340.375 3.642 20 0 EHADRM CC(C)[C@H](NC(=O)NCC(C)(C)C(=O)[O-])c1ccc(Cl)cc1F ZINC001591013868 991287899 /nfs/dbraw/zinc/28/78/99/991287899.db2.gz XXURFUKPAQJFLY-ZDUSSCGKSA-N -1 0 344.814 3.586 20 0 EHADRM CC(C)[C@H](SCc1ccccc1)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001591051621 991451552 /nfs/dbraw/zinc/45/15/52/991451552.db2.gz FCJMDWRLYANMHY-QFBILLFUSA-N -1 0 349.496 3.658 20 0 EHADRM CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1cc(Br)ccc1C(=O)[O-] ZINC001591058401 991472762 /nfs/dbraw/zinc/47/27/62/991472762.db2.gz ORUFTSIGNQXMLZ-IAQYHMDHSA-N -1 0 340.217 3.768 20 0 EHADRM CC(C)[C@@]1(C)C[C@H]1C(=O)Oc1ccc(C(=O)[O-])cc1Br ZINC001591061649 991503244 /nfs/dbraw/zinc/50/32/44/991503244.db2.gz MPICBFKMFMKSMB-ZUZCIYMTSA-N -1 0 341.201 3.735 20 0 EHADRM CC(C)[C@H]1C[C@@H](CC(=O)Nc2cccc(Cl)c2C(=O)[O-])CCO1 ZINC001591072522 991535878 /nfs/dbraw/zinc/53/58/78/991535878.db2.gz MWHDBGFDSBWOLB-SMDDNHRTSA-N -1 0 339.819 3.818 20 0 EHADRM CC(C)C1CCC(NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC001591082497 991598091 /nfs/dbraw/zinc/59/80/91/991598091.db2.gz SLHQSMTXMGXYIS-UHFFFAOYSA-N -1 0 332.444 3.741 20 0 EHADRM COc1cncc(/C=C\CCNc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC001599726637 991638001 /nfs/dbraw/zinc/63/80/01/991638001.db2.gz QHSJEIMPOTYBBY-XQRVVYSFSA-N -1 0 340.423 3.968 20 0 EHADRM COc1cncc(/C=C/CCSCc2nc(C(=O)[O-])cs2)c1 ZINC001599726708 991639522 /nfs/dbraw/zinc/63/95/22/991639522.db2.gz SDFFXWXQHZRVEU-DUXPYHPUSA-N -1 0 336.438 3.582 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)Nc2cccc(CCC(=O)[O-])c2)[C@H]1C(C)C ZINC001591093372 991657390 /nfs/dbraw/zinc/65/73/90/991657390.db2.gz RJHHHTUKFUQBFS-WMZOPIPTSA-N -1 0 332.444 3.848 20 0 EHADRM CC(C)CC(CC(C)C)C(=O)N1C[C@H](C(=O)[O-])Cc2ccccc21 ZINC001591143852 991872855 /nfs/dbraw/zinc/87/28/55/991872855.db2.gz WEHGFEXEJOGCEM-QGZVFWFLSA-N -1 0 331.456 3.985 20 0 EHADRM CN(CC1(c2ccccc2)CC1)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001598444192 991879995 /nfs/dbraw/zinc/87/99/95/991879995.db2.gz ZLXLWSWZECLRGG-UHFFFAOYSA-N -1 0 342.370 3.719 20 0 EHADRM CN(CC1=CCCC1)[C@@H](C(=O)[O-])c1ccc(Br)s1 ZINC001598447295 991886011 /nfs/dbraw/zinc/88/60/11/991886011.db2.gz UGCHSDKGVQDHQY-GFCCVEGCSA-N -1 0 330.247 3.678 20 0 EHADRM CN(C[C@@H]1CC=CCC1)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001598453439 991914796 /nfs/dbraw/zinc/91/47/96/991914796.db2.gz JIQQGNCYLXBZQO-XOKHGSTOSA-N -1 0 328.412 3.695 20 0 EHADRM CN(C[C@H]1CCc2ccccc21)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001598467114 991975376 /nfs/dbraw/zinc/97/53/76/991975376.db2.gz JVAYPWUEFJKVLG-MRXNPFEDSA-N -1 0 338.407 3.507 20 0 EHADRM CC(C)C[C@H](NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1)c1ccccc1 ZINC001591178461 991976272 /nfs/dbraw/zinc/97/62/72/991976272.db2.gz RFGLPVOALDRLQB-PVAVHDDUSA-N -1 0 332.444 3.716 20 0 EHADRM CC(C)C[C@H](Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC001591190980 991998397 /nfs/dbraw/zinc/99/83/97/991998397.db2.gz IRHCLTRNMPSTNT-NSHDSACASA-N -1 0 326.805 3.981 20 0 EHADRM CC(C)C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)[O-] ZINC001591191072 991999786 /nfs/dbraw/zinc/99/97/86/991999786.db2.gz MOHJXRDKQWXCKA-LLVKDONJSA-N -1 0 326.805 3.580 20 0 EHADRM CC(C)C[C@@H](SCC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC001591191081 992000167 /nfs/dbraw/zinc/00/01/67/992000167.db2.gz NLPIOPUVXOVDJO-CQSZACIVSA-N -1 0 345.505 3.866 20 0 EHADRM CC(C)C[C@@H]1CCCN(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)C1 ZINC001591207122 992038831 /nfs/dbraw/zinc/03/88/31/992038831.db2.gz DXJGHCZWAKXWGH-ZDUSSCGKSA-N -1 0 336.407 3.743 20 0 EHADRM CO[C@H](C)c1cccc(NS(=O)(=O)c2ccc3c(c2)CCCO3)c1 ZINC000536678668 1032123151 /nfs/dbraw/zinc/12/31/51/1032123151.db2.gz DZYFXICSGRNHJM-CYBMUJFWSA-N -1 0 347.436 3.520 20 0 EHADRM CC(C)CC[C@@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001591227378 992098449 /nfs/dbraw/zinc/09/84/49/992098449.db2.gz FECOXOLYMFMBLE-HNNXBMFYSA-N -1 0 347.459 3.883 20 0 EHADRM CC(C)CCN(C)C(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001591239904 992129405 /nfs/dbraw/zinc/12/94/05/992129405.db2.gz HMTQMXHUDFZFQU-UHFFFAOYSA-N -1 0 343.221 3.657 20 0 EHADRM CC(C)CCOC(=O)N[C@@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001591252060 992150719 /nfs/dbraw/zinc/15/07/19/992150719.db2.gz SJOVMRCQXHRQBP-RDJZCZTQSA-N -1 0 333.428 3.722 20 0 EHADRM CC(C)CCOc1ccccc1NC(=O)NCC(C)(C)CC(=O)[O-] ZINC001591266019 992175090 /nfs/dbraw/zinc/17/50/90/992175090.db2.gz KCPMSXMGVIOBLW-UHFFFAOYSA-N -1 0 336.432 3.734 20 0 EHADRM CC(C)CN(C(=O)C[C@@H]1C[C@H]1Cc1ccccc1)C(C)(C)C(=O)[O-] ZINC001591280452 992209407 /nfs/dbraw/zinc/20/94/07/992209407.db2.gz JVKAPWNDJOQVIE-SJORKVTESA-N -1 0 331.456 3.603 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)CCCOc1ccc(C(C)(C)C)cc1 ZINC001591291241 992242409 /nfs/dbraw/zinc/24/24/09/992242409.db2.gz WCKBNNUTUJBEIV-UHFFFAOYSA-N -1 0 349.471 3.712 20 0 EHADRM CSC1(C(=O)Nc2nc(C3CCCC3)c(C(=O)[O-])s2)CCC1 ZINC001599783385 992394639 /nfs/dbraw/zinc/39/46/39/992394639.db2.gz GSBWUBDBSJVVGV-UHFFFAOYSA-N -1 0 340.470 3.723 20 0 EHADRM CC(C)CO[C@H](C)C(=O)Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1 ZINC001591384564 992432660 /nfs/dbraw/zinc/43/26/60/992432660.db2.gz IMHCIFOPCTXAQY-LLVKDONJSA-N -1 0 348.424 3.508 20 0 EHADRM CC(C)COc1ccc(OC(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC001591401217 992471040 /nfs/dbraw/zinc/47/10/40/992471040.db2.gz GDEXQVAOVPYIHT-UHFFFAOYSA-N -1 0 332.327 3.778 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)/C=C/Sc1ccccc1 ZINC001598510012 992558625 /nfs/dbraw/zinc/55/86/25/992558625.db2.gz OHWADBKPECRPPQ-VAWYXSNFSA-N -1 0 327.405 3.649 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)NCc1ccc(C2CC2)cc1 ZINC001598512533 992578898 /nfs/dbraw/zinc/57/88/98/992578898.db2.gz MTWJXXVZNVEAOR-UHFFFAOYSA-N -1 0 338.407 3.604 20 0 EHADRM CC(C)C[C@H](NC(=O)c1cccc(-c2c(F)cccc2F)c1)C(=O)[O-] ZINC001591468578 992582284 /nfs/dbraw/zinc/58/22/84/992582284.db2.gz CXHDEHOITLXNTJ-INIZCTEOSA-N -1 0 347.361 3.861 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)c1nccc(Oc2ccccc2)n1 ZINC001598513525 992591475 /nfs/dbraw/zinc/59/14/75/992591475.db2.gz NBYKLKCFYPAATM-UHFFFAOYSA-N -1 0 335.363 3.604 20 0 EHADRM CC(C)Cc1ccc(CC(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])cc1 ZINC001591484273 992608947 /nfs/dbraw/zinc/60/89/47/992608947.db2.gz MAQSUVDGMWOICS-FXAWDEMLSA-N -1 0 331.456 3.577 20 0 EHADRM CC(C)Cc1ccc(CC(=O)N2CCc3cc(C(=O)[O-])ccc32)cc1 ZINC001591484636 992611050 /nfs/dbraw/zinc/61/10/50/992611050.db2.gz PGZPGZWTGVOJRE-UHFFFAOYSA-N -1 0 337.419 3.715 20 0 EHADRM CC(C)Cc1ncc(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)s1 ZINC001591496755 992629947 /nfs/dbraw/zinc/62/99/47/992629947.db2.gz IGZIVQYSVLYOGN-UHFFFAOYSA-N -1 0 343.408 3.773 20 0 EHADRM CC(C)Cc1ncc(C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)s1 ZINC001591497018 992631911 /nfs/dbraw/zinc/63/19/11/992631911.db2.gz SBHSBGAHHYXPJO-UHFFFAOYSA-N -1 0 343.408 3.773 20 0 EHADRM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)C[C@H]1CCCC(C)(C)C1 ZINC001598520472 992672337 /nfs/dbraw/zinc/67/23/37/992672337.db2.gz HDCYWQRGQXFJMD-MRXNPFEDSA-N -1 0 347.455 3.715 20 0 EHADRM CC(C)Cn1ccc2c1cccc2C(=O)N1C2CCC1(C(=O)[O-])CC2 ZINC001591521710 992692151 /nfs/dbraw/zinc/69/21/51/992692151.db2.gz QMISLSCYOHETKF-UHFFFAOYSA-N -1 0 340.423 3.519 20 0 EHADRM CN(Cc1cccc(OCc2ccccn2)c1)c1ccccc1C(=O)[O-] ZINC001598527177 992734369 /nfs/dbraw/zinc/73/43/69/992734369.db2.gz UZTIWOLQTMDALJ-UHFFFAOYSA-N -1 0 348.402 3.995 20 0 EHADRM CN(Cc1csc(-c2cccc(C(=O)[O-])c2)n1)Cc1ccns1 ZINC001598532795 992804510 /nfs/dbraw/zinc/80/45/10/992804510.db2.gz BRDDGENQDURKFO-UHFFFAOYSA-N -1 0 345.449 3.597 20 0 EHADRM CN(Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)c1ccccc1F ZINC001598532830 992806846 /nfs/dbraw/zinc/80/68/46/992806846.db2.gz CXVBYSWMRXHWEB-UHFFFAOYSA-N -1 0 326.327 3.815 20 0 EHADRM CC(C)N(Cc1ccccn1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001591603442 992833892 /nfs/dbraw/zinc/83/38/92/992833892.db2.gz AFALMWDNKUDXRR-UHFFFAOYSA-N -1 0 349.337 3.501 20 0 EHADRM COc1ccc(N(C)C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)cc1 ZINC001599582629 993571874 /nfs/dbraw/zinc/57/18/74/993571874.db2.gz DDGHYZNBZZRTDI-UHFFFAOYSA-N -1 0 346.408 3.784 20 0 EHADRM COc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)c(C(=O)[O-])c1 ZINC001599593293 993715875 /nfs/dbraw/zinc/71/58/75/993715875.db2.gz FTPHXQLAFJRLFJ-JKSUJKDBSA-N -1 0 339.391 3.752 20 0 EHADRM COc1ccc(NC(=O)c2coc(C3CCCCC3)n2)c(C(=O)[O-])c1 ZINC001599595560 993744689 /nfs/dbraw/zinc/74/46/89/993744689.db2.gz BTBAGFCBZZMXDL-UHFFFAOYSA-N -1 0 344.367 3.681 20 0 EHADRM COc1ccc(NCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC001599596964 993760792 /nfs/dbraw/zinc/76/07/92/993760792.db2.gz CHVBWQXOVVNZHK-UHFFFAOYSA-N -1 0 336.185 3.768 20 0 EHADRM COc1ccc(NCc2ccccc2O[C@H](C)C(=O)[O-])cc1Cl ZINC001599597340 993765712 /nfs/dbraw/zinc/76/57/12/993765712.db2.gz REAPYURTGZDVOI-LLVKDONJSA-N -1 0 335.787 3.813 20 0 EHADRM COc1ccc(OC(=O)/C=C/c2cc(C(=O)[O-])co2)c2ccccc12 ZINC001599599413 993792984 /nfs/dbraw/zinc/79/29/84/993792984.db2.gz GPRWXCKUJVXCBO-RMKNXTFCSA-N -1 0 338.315 3.758 20 0 EHADRM COc1ccc(OC(=O)c2oc(C(=O)[O-])cc2C)c(C(C)(C)C)c1 ZINC001599600196 993804499 /nfs/dbraw/zinc/80/44/99/993804499.db2.gz GOQSKCVGGUUJRM-UHFFFAOYSA-N -1 0 332.352 3.812 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(CCC(=O)[O-])cc1)[C@@]12C[C@@H]1CCCC2 ZINC001593116401 993810600 /nfs/dbraw/zinc/81/06/00/993810600.db2.gz DBSKMSLBFABZOH-ZUEVXXBESA-N -1 0 330.428 3.794 20 0 EHADRM COc1ccc(OCCSCCOc2ccccc2C(=O)[O-])cc1 ZINC001599606673 993895075 /nfs/dbraw/zinc/89/50/75/993895075.db2.gz HQNRRAKRXYATEL-UHFFFAOYSA-N -1 0 348.420 3.584 20 0 EHADRM C[C@H](NC(=O)c1cc(F)cc(C(=O)[O-])c1)C(C)(C)c1ccccc1 ZINC001593156747 993978253 /nfs/dbraw/zinc/97/82/53/993978253.db2.gz VZZTXQQEUDAUKR-LBPRGKRZSA-N -1 0 329.371 3.620 20 0 EHADRM CN1CCN(Cc2ccc(C(=O)[O-])cc2F)c2cc(Cl)ccc21 ZINC001598619908 993984244 /nfs/dbraw/zinc/98/42/44/993984244.db2.gz RNQBTZFSFNNAGB-UHFFFAOYSA-N -1 0 334.778 3.634 20 0 EHADRM COc1ccc(S[C@H](C)C(=O)Nc2ccc(F)cc2C(=O)[O-])cc1 ZINC001599618108 994044968 /nfs/dbraw/zinc/04/49/68/994044968.db2.gz AMXMJBUFSPJGTJ-SNVBAGLBSA-N -1 0 349.383 3.652 20 0 EHADRM C[C@](NC(=O)c1cccc2ccsc21)(C(=O)[O-])c1ccc(F)cc1 ZINC001593176146 994052278 /nfs/dbraw/zinc/05/22/78/994052278.db2.gz MESBVKCLTOAWGY-GOSISDBHSA-N -1 0 343.379 3.770 20 0 EHADRM COc1ccc(S[C@H](C)C(=O)Nc2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001599619541 994062136 /nfs/dbraw/zinc/06/21/36/994062136.db2.gz WVYOHYBGNFFSQP-GFCCVEGCSA-N -1 0 345.420 3.821 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2C(=O)Nc2sc(C)cc2C(=O)[O-])cc1 ZINC001599620115 994069785 /nfs/dbraw/zinc/06/97/85/994069785.db2.gz DHMHUDOLGRVEFR-QWHCGFSZSA-N -1 0 331.393 3.506 20 0 EHADRM COc1ccc([C@@H](C)OC(=O)c2ccc(C(=O)[O-])cc2F)cc1C ZINC001599620675 994076363 /nfs/dbraw/zinc/07/63/63/994076363.db2.gz UNAQOFSHQQNXEN-LLVKDONJSA-N -1 0 332.327 3.759 20 0 EHADRM C[C@H](NC(=S)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)c1cccs1 ZINC001593190818 994127761 /nfs/dbraw/zinc/12/77/61/994127761.db2.gz WSPJSZAPTPFDSH-LEWSCRJBSA-N -1 0 346.477 3.984 20 0 EHADRM C[C@@H](N[C@H](C(=O)[O-])c1ccsc1)c1nc(C(F)(F)F)cs1 ZINC001593196106 994151854 /nfs/dbraw/zinc/15/18/54/994151854.db2.gz ULHKEQXKVXWSKF-MUWHJKNJSA-N -1 0 336.360 3.700 20 0 EHADRM COc1ccc2c(c1)[C@@H](C(=O)Nc1cccc(C(=O)[O-])c1Cl)CC2 ZINC001599626186 994151961 /nfs/dbraw/zinc/15/19/61/994151961.db2.gz WAFUYMHMXQDVDB-LBPRGKRZSA-N -1 0 345.782 3.715 20 0 EHADRM COc1ccc2c(c1)[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1)CCC2 ZINC001599631280 994222355 /nfs/dbraw/zinc/22/23/55/994222355.db2.gz CSUKHJMYWSNJGG-QGZVFWFLSA-N -1 0 340.379 3.593 20 0 EHADRM COc1ccc2cc(C(=O)N(CC(=O)[O-])c3ccccc3)ccc2c1 ZINC001599633940 994258967 /nfs/dbraw/zinc/25/89/67/994258967.db2.gz XORUOQKXFIZXED-UHFFFAOYSA-N -1 0 335.359 3.580 20 0 EHADRM COc1ccc2cc(/C=C\C(=O)Nc3cncc(C(=O)[O-])c3)ccc2c1 ZINC001599635896 994287199 /nfs/dbraw/zinc/28/71/99/994287199.db2.gz VJWCWEFBCLXKJD-CLTKARDFSA-N -1 0 348.358 3.594 20 0 EHADRM O=C([O-])CCN(C(=O)c1[nH]c2ccc(Cl)cc2c1Cl)C1CC1 ZINC000238051292 1015853314 /nfs/dbraw/zinc/85/33/14/1015853314.db2.gz JLOCDNKTEASRCO-UHFFFAOYSA-N -1 0 341.194 3.554 20 0 EHADRM COc1cccc(C(=O)[O-])c1CSc1nc2ccccc2n1C ZINC001599645612 994420440 /nfs/dbraw/zinc/42/04/40/994420440.db2.gz WRGXETZQLFQTAR-UHFFFAOYSA-N -1 0 328.393 3.572 20 0 EHADRM COc1cccc([C@@H](C(=O)[O-])N(C)Cc2cccc(Cl)c2F)c1 ZINC001599649025 994467705 /nfs/dbraw/zinc/46/77/05/994467705.db2.gz CCKVAXPXOPTIRY-INIZCTEOSA-N -1 0 337.778 3.745 20 0 EHADRM COc1cccc([C@H](C(=O)[O-])N(C)C(=O)c2ccc(C(C)C)cc2)c1 ZINC001599649125 994469587 /nfs/dbraw/zinc/46/95/87/994469587.db2.gz NXIQGAYXNBNOAX-GOSISDBHSA-N -1 0 341.407 3.717 20 0 EHADRM COc1cccc(/C(C)=C/C(=O)OC2CCC(CC(=O)[O-])CC2)c1 ZINC001599654092 994551407 /nfs/dbraw/zinc/55/14/07/994551407.db2.gz FRALCMBCNDJVPT-JLHYYAGUSA-N -1 0 332.396 3.675 20 0 EHADRM COc1cccc(/C(C)=C\C(=O)O[C@H](C(=O)[O-])c2ccsc2)c1 ZINC001599654641 994557997 /nfs/dbraw/zinc/55/79/97/994557997.db2.gz VWTROAONDHMLGS-CLOOOTJHSA-N -1 0 332.377 3.529 20 0 EHADRM COc1cccc([C@H](C)CC(=O)OCc2ccccc2C(=O)[O-])c1 ZINC001599655171 994567335 /nfs/dbraw/zinc/56/73/35/994567335.db2.gz KPWYUVNOXZMKIM-CYBMUJFWSA-N -1 0 328.364 3.630 20 0 EHADRM COc1cccc([C@H](C)c2noc(-c3ccc(C(=O)[O-])s3)n2)c1 ZINC001599659134 994628566 /nfs/dbraw/zinc/62/85/66/994628566.db2.gz YTNBKYORACHOGM-VIFPVBQESA-N -1 0 330.365 3.657 20 0 EHADRM COc1cccc([C@H](Sc2nc3ccccc3nc2C)C(=O)[O-])c1 ZINC001599662344 994675142 /nfs/dbraw/zinc/67/51/42/994675142.db2.gz YCJQJIGAEPEEKF-INIZCTEOSA-N -1 0 340.404 3.865 20 0 EHADRM COc1cccc([C@H](OC(=O)c2sc(C(C)C)nc2C)C(=O)[O-])c1 ZINC001599662361 994675269 /nfs/dbraw/zinc/67/52/69/994675269.db2.gz YNDANKJILFMOCP-ZDUSSCGKSA-N -1 0 349.408 3.566 20 0 EHADRM C[C@H](NCc1cc(F)c(Cl)cc1F)c1ncc(C(=O)[O-])s1 ZINC001593293766 994686567 /nfs/dbraw/zinc/68/65/67/994686567.db2.gz YALQYVXMPJDRJS-LURJTMIESA-N -1 0 332.759 3.624 20 0 EHADRM COc1cccc(C[C@@H](C)CC(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC001599667017 994746707 /nfs/dbraw/zinc/74/67/07/994746707.db2.gz VZUPKKBOZNCESA-CYBMUJFWSA-N -1 0 327.380 3.601 20 0 EHADRM C[C@@H](NCc1nsc2ccccc12)c1ccc(OCC(=O)[O-])cc1 ZINC001593317841 994823025 /nfs/dbraw/zinc/82/30/25/994823025.db2.gz VAAPKZRWKBCWCJ-GFCCVEGCSA-N -1 0 342.420 3.611 20 0 EHADRM COc1cccc(CN2CCCc3c(C(=O)[O-])cccc32)c1Cl ZINC001599674071 994866174 /nfs/dbraw/zinc/86/61/74/994866174.db2.gz YVZHDEJWWNNJKL-UHFFFAOYSA-N -1 0 331.799 4.000 20 0 EHADRM CNc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(C)c2)c(Cl)c1 ZINC001598677957 994878489 /nfs/dbraw/zinc/87/84/89/994878489.db2.gz DQRSELOPKFIQCJ-MRXNPFEDSA-N -1 0 346.814 3.636 20 0 EHADRM CNc1ccc(C(F)(F)F)cc1C(=O)Oc1cccc(C(=O)[O-])c1 ZINC001598679043 994896467 /nfs/dbraw/zinc/89/64/67/994896467.db2.gz APLOVYXOFHBWCJ-UHFFFAOYSA-N -1 0 339.269 3.665 20 0 EHADRM COc1cccc(N(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c2ccccc2)c1 ZINC001599676277 994902595 /nfs/dbraw/zinc/90/25/95/994902595.db2.gz CIKSVNQOWGJFML-LSDHHAIUSA-N -1 0 339.391 3.861 20 0 EHADRM COc1cccc(F)c1C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001599677970 994929162 /nfs/dbraw/zinc/92/91/62/994929162.db2.gz WOHDUOFAKVVDOX-UHFFFAOYSA-N -1 0 339.322 3.938 20 0 EHADRM COc1cccc(NC(=S)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC001599679891 994961482 /nfs/dbraw/zinc/96/14/82/994961482.db2.gz NEZLONQOLRMKJO-GFCCVEGCSA-N -1 0 344.436 3.767 20 0 EHADRM COc1cccc(NC2CCC(CC(=O)[O-])CC2)c1Br ZINC001599680047 994965025 /nfs/dbraw/zinc/96/50/25/994965025.db2.gz UZWGMOSILZIKSF-UHFFFAOYSA-N -1 0 342.233 3.903 20 0 EHADRM CO/C(=C/c1ccccc1)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001598683741 994973823 /nfs/dbraw/zinc/97/38/23/994973823.db2.gz BYAQJHIPFBROKB-VGOFMYFVSA-N -1 0 349.745 3.803 20 0 EHADRM C[C@H](Nc1cnc(C(=O)[O-])cn1)C(c1ccccc1)c1ccccc1 ZINC001593368366 995062380 /nfs/dbraw/zinc/06/23/80/995062380.db2.gz XAODQCHWVVAGOO-AWEZNQCLSA-N -1 0 333.391 3.807 20 0 EHADRM C[C@H](Nc1nccc(C(=O)[O-])n1)[C@@H](C)c1ccccc1C(F)(F)F ZINC001593373460 995067554 /nfs/dbraw/zinc/06/75/54/995067554.db2.gz FFPZDROHOYGZOW-ZJUUUORDSA-N -1 0 339.317 3.798 20 0 EHADRM O=C([O-])CCN(C(=O)c1cccc(Oc2ccccc2)c1)C1CC1 ZINC000238056500 1015926210 /nfs/dbraw/zinc/92/62/10/1015926210.db2.gz YBHNLIHZHZOKSX-UHFFFAOYSA-N -1 0 325.364 3.558 20 0 EHADRM Cc1[nH]c2ccc(C(=O)N3CCC[C@@H](C(C)(C)C(=O)[O-])C3)cc2c1C ZINC000327065135 1015930617 /nfs/dbraw/zinc/93/06/17/1015930617.db2.gz PMCGDHORZIJJJH-OAHLLOKOSA-N -1 0 342.439 3.748 20 0 EHADRM COC(=O)[C@H](Nc1ccc(C)c(Cl)c1)c1cccc(C(=O)[O-])c1 ZINC001598711366 995353328 /nfs/dbraw/zinc/35/33/28/995353328.db2.gz GDZSIVKRQSPPBT-OAHLLOKOSA-N -1 0 333.771 3.673 20 0 EHADRM COC(=O)[C@H](S[C@H](C)CC(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001598711730 995357392 /nfs/dbraw/zinc/35/73/92/995357392.db2.gz LGLJKFMDDWPULK-JMCQJSRRSA-N -1 0 337.224 3.804 20 0 EHADRM COC(=O)[C@@H](SCc1ccccc1C(=O)[O-])c1ccc(F)cc1 ZINC001598713260 995373119 /nfs/dbraw/zinc/37/31/19/995373119.db2.gz WAEUTFAEFQOFJP-HNNXBMFYSA-N -1 0 334.368 3.671 20 0 EHADRM Cc1cccc(C(=O)N(CCC(=O)[O-])Cc2ccccc2)c1Cl ZINC000683297541 1015942620 /nfs/dbraw/zinc/94/26/20/1015942620.db2.gz LYQRMLUZJFBEFD-UHFFFAOYSA-N -1 0 331.799 3.766 20 0 EHADRM CC(C)C[C@H](C)n1nccc1NC(=O)c1s[n-]c(=O)c1Cl ZINC000574887366 1015947560 /nfs/dbraw/zinc/94/75/60/1015947560.db2.gz JXXAUVQEWRJDIS-QMMMGPOBSA-N -1 0 328.825 3.558 20 0 EHADRM C[C@@H](OC(=O)C12CCC(C(=O)[O-])(CC1)CC2)c1nc2ccccc2o1 ZINC001593501545 995503979 /nfs/dbraw/zinc/50/39/79/995503979.db2.gz SCOCCAHBVJRSJE-PIHIASKNSA-N -1 0 343.379 3.857 20 0 EHADRM C[C@H](OC(=O)/C=C/c1ccc2ccccc2n1)c1ccc(C(=O)[O-])o1 ZINC001593517924 995558343 /nfs/dbraw/zinc/55/83/43/995558343.db2.gz YNQFERHOIFHJLY-OBIHZWKSSA-N -1 0 337.331 3.844 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C)c1F ZINC000180471526 1015954341 /nfs/dbraw/zinc/95/43/41/1015954341.db2.gz WJBYEBDIPOFSSZ-UHFFFAOYSA-N -1 0 348.443 3.844 20 0 EHADRM C[C@@H](OC(=O)c1ccc(F)c(Cl)c1F)c1cc(C(=O)[O-])co1 ZINC001593579123 995692681 /nfs/dbraw/zinc/69/26/81/995692681.db2.gz TWZGOLVZUSXKMZ-ZCFIWIBFSA-N -1 0 330.670 3.827 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)C[C@@H]2CCCC[C@@H]2C)cc1F)C(=O)[O-] ZINC001593624220 995884896 /nfs/dbraw/zinc/88/48/96/995884896.db2.gz HYXSUOUZAWRGRN-AVGNSLFASA-N -1 0 337.391 3.833 20 0 EHADRM C[C@H](Oc1ccccc1Cl)C(=O)OCc1cccc(C(=O)[O-])c1 ZINC001593650675 996007581 /nfs/dbraw/zinc/00/75/81/996007581.db2.gz GHWAEJJITQBPSO-NSHDSACASA-N -1 0 334.755 3.549 20 0 EHADRM C[C@H](SCc1cnc(C(=O)[O-])cn1)c1ccc(F)c(Cl)c1 ZINC001593663369 996044864 /nfs/dbraw/zinc/04/48/64/996044864.db2.gz MEVXQFVSALKPPO-QMMMGPOBSA-N -1 0 326.780 3.962 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N1CCC(C2CC2)CC1)C(=O)[O-] ZINC001593668779 996066498 /nfs/dbraw/zinc/06/64/98/996066498.db2.gz WOZYDFGLVNRXGV-GFCCVEGCSA-N -1 0 333.453 3.514 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)OCc1occc1C(=O)[O-] ZINC001593673299 996083388 /nfs/dbraw/zinc/08/33/88/996083388.db2.gz JEQRMKAEOHKGDT-SECBINFHSA-N -1 0 340.784 3.855 20 0 EHADRM C[C@@H](Sc1nc(C(=O)[O-])cs1)C(=O)c1ccc2c(c1)CCC2 ZINC001593680429 996108912 /nfs/dbraw/zinc/10/89/12/996108912.db2.gz ZPJDTTCDKDMCKG-SECBINFHSA-N -1 0 333.434 3.694 20 0 EHADRM C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC001593705750 996192703 /nfs/dbraw/zinc/19/27/03/996192703.db2.gz LJZOQBCCNSNNPM-ACJLOTCBSA-N -1 0 341.382 3.932 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(C)C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001593713381 996220743 /nfs/dbraw/zinc/22/07/43/996220743.db2.gz MYEOKSDKOVAIGF-TVRMLOFPSA-N -1 0 333.771 3.864 20 0 EHADRM C[C@@H](c1ccccc1Cl)N1CCN(Cc2ccoc2C(=O)[O-])CC1 ZINC001593713580 996222514 /nfs/dbraw/zinc/22/25/14/996222514.db2.gz OZDQPMRBCVNMFQ-ZDUSSCGKSA-N -1 0 348.830 3.510 20 0 EHADRM C[C@@H](c1ccccc1F)N(C)Cc1cc(C(=O)[O-])c2n1CCCC2 ZINC001593717546 996235469 /nfs/dbraw/zinc/23/54/69/996235469.db2.gz MNJJEIIKJXVTMM-ZDUSSCGKSA-N -1 0 330.403 3.855 20 0 EHADRM C[C@H](c1nc2cc(Cl)ccc2[nH]1)N(C)Cc1cccc(C(=O)[O-])n1 ZINC001593734415 996324539 /nfs/dbraw/zinc/32/45/39/996324539.db2.gz UYFSIUVFOFHNJH-SNVBAGLBSA-N -1 0 344.802 3.503 20 0 EHADRM CC(C)(C)c1ccc(/C=C\C(=O)N2CCC[C@](C)(C(=O)[O-])C2)cc1 ZINC001593765898 996443615 /nfs/dbraw/zinc/44/36/15/996443615.db2.gz AIADNCQGKXLUSN-WUQYLLKWSA-N -1 0 329.440 3.711 20 0 EHADRM COC(=O)CC(C)(C)C[C@@H](C)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001598834228 996467828 /nfs/dbraw/zinc/46/78/28/996467828.db2.gz RADVYTVDVHZHBQ-ZIAGYGMSSA-N -1 0 335.444 3.730 20 0 EHADRM CC1(C)C[C@H](OC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c2ccccc2O1 ZINC001593862336 996661119 /nfs/dbraw/zinc/66/11/19/996661119.db2.gz ZVLQSCCHXWRNRQ-WWGRRREGSA-N -1 0 332.396 3.723 20 0 EHADRM CC1(C)C[C@H](c2ccccc2)N(C(=O)/C=C/c2ccc(C(=O)[O-])o2)C1 ZINC001593864534 996666629 /nfs/dbraw/zinc/66/66/29/996666629.db2.gz WUMFUKSKHJLMEZ-PXUDHTSWSA-N -1 0 339.391 3.991 20 0 EHADRM CC1(C)CC=C(C(=O)Nc2cccnc2SCCC(=O)[O-])CC1 ZINC001593871338 996683411 /nfs/dbraw/zinc/68/34/11/996683411.db2.gz RFIMLLGSLXAOLZ-UHFFFAOYSA-N -1 0 334.441 3.723 20 0 EHADRM CC1(C)CCC(=CC(=O)NCc2ccc(Cl)c(C(=O)[O-])n2)CC1 ZINC001593871404 996684014 /nfs/dbraw/zinc/68/40/14/996684014.db2.gz ULJTVRTYLHQOIO-UHFFFAOYSA-N -1 0 336.819 3.576 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)Nc2ccc(C(=O)[O-])nc2)c2ccccc21 ZINC001593882022 996712765 /nfs/dbraw/zinc/71/27/65/996712765.db2.gz KUTNOQBCZZWEOW-OAHLLOKOSA-N -1 0 339.395 3.714 20 0 EHADRM CC1(C)CCC[C@](NC(=O)/C(F)=C/C2CCCCC2)(C(=O)[O-])C1 ZINC001593888001 996729562 /nfs/dbraw/zinc/72/95/62/996729562.db2.gz NSIORFVUDNBZMP-DEQJRXDXSA-N -1 0 325.424 3.960 20 0 EHADRM CC1(C)CCC[C@](NC(=O)c2cc(-c3cccs3)on2)(C(=O)[O-])C1 ZINC001593892618 996741996 /nfs/dbraw/zinc/74/19/96/996741996.db2.gz QFPFBUDFEKYPJI-QGZVFWFLSA-N -1 0 348.424 3.557 20 0 EHADRM CC1(C)CCC[C@](NC(=O)c2cc3c(s2)CCCC3)(C(=O)[O-])C1 ZINC001593893007 996745211 /nfs/dbraw/zinc/74/52/11/996745211.db2.gz VJDNXJKIYJATKK-GOSISDBHSA-N -1 0 335.469 3.780 20 0 EHADRM CC1(C)CCC[C@@H]1C(=O)N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001593896993 996756561 /nfs/dbraw/zinc/75/65/61/996756561.db2.gz HKUGDUKSCZWCPX-OLZOCXBDSA-N -1 0 343.345 3.774 20 0 EHADRM CC1(C)CCC[C@H]1CCNC(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001593903056 996769956 /nfs/dbraw/zinc/76/99/56/996769956.db2.gz GYDWLQKQZMNCJS-NSHDSACASA-N -1 0 339.823 3.771 20 0 EHADRM CC1(C)CCC[C@@H]1CCNC(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001593903055 996770269 /nfs/dbraw/zinc/77/02/69/996770269.db2.gz GYDWLQKQZMNCJS-LLVKDONJSA-N -1 0 339.823 3.771 20 0 EHADRM CC1(C)CCCC[C@H]1CC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC001593904751 996783667 /nfs/dbraw/zinc/78/36/67/996783667.db2.gz JVYMMGSUVKSPGM-ZBEGNZNMSA-N -1 0 339.382 3.813 20 0 EHADRM C[C@@H](Oc1cccc2ccccc21)C(=O)[N-]OCCC(F)(F)F ZINC000278723323 1032137706 /nfs/dbraw/zinc/13/77/06/1032137706.db2.gz XTVAUCBHAVHRRN-LLVKDONJSA-N -1 0 327.302 3.607 20 0 EHADRM CC1(C)CCc2nc(NC(=O)c3ccc(C(=O)[O-])cc3)sc2C1 ZINC001593916399 996819355 /nfs/dbraw/zinc/81/93/55/996819355.db2.gz PWOXZTUKHFJKFD-UHFFFAOYSA-N -1 0 330.409 3.609 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)CCSCc2ccccc2)c1 ZINC001599487942 996886938 /nfs/dbraw/zinc/88/69/38/996886938.db2.gz OHSLNYIIEGISGA-UHFFFAOYSA-N -1 0 345.420 3.655 20 0 EHADRM COC[C@H](Nc1ncc(C(=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC001599178255 996894390 /nfs/dbraw/zinc/89/43/90/996894390.db2.gz MRDLUWYHRNAVBM-ZDUSSCGKSA-N -1 0 341.194 3.886 20 0 EHADRM CC1(C)CN(C(=O)c2cc(C(=O)[O-])ccc2Cl)[C@@H]1c1ccco1 ZINC001593936857 996922570 /nfs/dbraw/zinc/92/25/70/996922570.db2.gz YYKSPHKJNUCXLZ-CQSZACIVSA-N -1 0 333.771 3.855 20 0 EHADRM CC1(C)CN([C@H](C(=O)[O-])c2cccc(Cl)c2)[C@@H]1c1ccncc1 ZINC001593940113 996944071 /nfs/dbraw/zinc/94/40/71/996944071.db2.gz FEEUSJNLZGANSR-JKSUJKDBSA-N -1 0 330.815 3.944 20 0 EHADRM COCc1cc(NC(=O)c2ccccc2C(F)F)cc(C(=O)[O-])c1 ZINC001599288468 997022107 /nfs/dbraw/zinc/02/21/07/997022107.db2.gz GANCAINPCILRGI-UHFFFAOYSA-N -1 0 335.306 3.721 20 0 EHADRM COc1cc(C)cc(C(=O)N2CCCc3c(C(=O)[O-])cccc32)c1C ZINC001599391858 997051829 /nfs/dbraw/zinc/05/18/29/997051829.db2.gz KBJMXGAWNUFPRW-UHFFFAOYSA-N -1 0 339.391 3.603 20 0 EHADRM CC1(C)COc2c1cccc2C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001593960741 997079645 /nfs/dbraw/zinc/07/96/45/997079645.db2.gz CKCSALUQWOKOHX-UHFFFAOYSA-N -1 0 347.317 3.585 20 0 EHADRM COc1ccc(C(=O)[O-])cc1CSCc1nnc(C(C)(C)C)o1 ZINC001599500343 997105808 /nfs/dbraw/zinc/10/58/08/997105808.db2.gz YEYVDVFMNSJBOW-UHFFFAOYSA-N -1 0 336.413 3.507 20 0 EHADRM COc1ccc(C(=O)[O-])cc1CN1CCc2c(Cl)cc(F)cc2C1 ZINC001599500482 997109005 /nfs/dbraw/zinc/10/90/05/997109005.db2.gz IBDNXPLVVZBZPJ-UHFFFAOYSA-N -1 0 349.789 3.744 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1ccn(C(C)C)c1C ZINC001599397550 997154986 /nfs/dbraw/zinc/15/49/86/997154986.db2.gz FQUVYVQHPMGJGA-VURMDHGXSA-N -1 0 343.379 3.703 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC001599398212 997167488 /nfs/dbraw/zinc/16/74/88/997167488.db2.gz ZIQMQYNJSBLPDO-VVDJSUPNSA-N -1 0 332.396 3.915 20 0 EHADRM COCc1nc(CNc2ccc(Cl)c(C(=O)[O-])c2Cl)cs1 ZINC001599300647 997226387 /nfs/dbraw/zinc/22/63/87/997226387.db2.gz KWJYGOOQQOYBHS-UHFFFAOYSA-N -1 0 347.223 3.907 20 0 EHADRM C[C@]1(C2CCCCC2)CCN1C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001593992668 997273022 /nfs/dbraw/zinc/27/30/22/997273022.db2.gz MTAGKBCXSWSZQP-XEVCZEQESA-N -1 0 333.472 3.983 20 0 EHADRM CCc1oc(C(=O)NCc2c3ccccc3sc2C(=O)[O-])cc1C ZINC000683315204 1016108093 /nfs/dbraw/zinc/10/80/93/1016108093.db2.gz WKEZDDQOQFMYLW-UHFFFAOYSA-N -1 0 343.404 3.993 20 0 EHADRM CON(C(=O)c1cccc(-c2cccc(C)c2)c1)[C@@H](C)CC(=O)[O-] ZINC001599312481 997440181 /nfs/dbraw/zinc/44/01/81/997440181.db2.gz UIJGQLMCJDICPZ-AWEZNQCLSA-N -1 0 327.380 3.529 20 0 EHADRM C[C@@]1(CCc2ccccc2)CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C1 ZINC001594010951 997454643 /nfs/dbraw/zinc/45/46/43/997454643.db2.gz YVUTZBWIWZLJHY-WAOWUJCRSA-N -1 0 343.467 3.749 20 0 EHADRM CO[C@@H]1CCC[C@@H](C(=O)Nc2c(C(=O)[O-])ccc3ccccc32)C1 ZINC001599104925 997458159 /nfs/dbraw/zinc/45/81/59/997458159.db2.gz XSGVNPIUBKIWRM-ZIAGYGMSSA-N -1 0 327.380 3.682 20 0 EHADRM CON(C[C@H]1CCC[C@@H](C)C1)C(=O)CCc1ccccc1C(=O)[O-] ZINC001599317349 997524007 /nfs/dbraw/zinc/52/40/07/997524007.db2.gz JXMPHUJEZLCRHN-CABCVRRESA-N -1 0 333.428 3.534 20 0 EHADRM C[C@]1(CNC(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)CC1(F)F ZINC001594020486 997529691 /nfs/dbraw/zinc/52/96/91/997529691.db2.gz OTAZZIDTTXUWMK-MRXNPFEDSA-N -1 0 334.322 3.705 20 0 EHADRM CO[C@@H](C(=O)Nc1scc(C2CC2)c1C(=O)[O-])c1ccccc1 ZINC001599319651 997558765 /nfs/dbraw/zinc/55/87/65/997558765.db2.gz JAMDFRJNBSEPHJ-CQSZACIVSA-N -1 0 331.393 3.650 20 0 EHADRM COc1cc(Cl)c(NC(=O)c2ccc(/C=C/C(=O)[O-])o2)cc1C ZINC001599419574 997569769 /nfs/dbraw/zinc/56/97/69/997569769.db2.gz BOWCAFGPKFBIJN-GQCTYLIASA-N -1 0 335.743 3.600 20 0 EHADRM CO[C@@H]1CCC[C@H](CC(=O)OCc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC001599111851 997583943 /nfs/dbraw/zinc/58/39/43/997583943.db2.gz GQXPUFOCFJCDSE-WCQYABFASA-N -1 0 340.803 3.677 20 0 EHADRM CO[C@H]1CCC[C@@H](CC(=O)Oc2ccc(Cl)cc2C(=O)[O-])C1 ZINC001599112854 997600501 /nfs/dbraw/zinc/60/05/01/997600501.db2.gz PKRMUVUAQOWRTR-PWSUYJOCSA-N -1 0 326.776 3.539 20 0 EHADRM COCC[C@H](N[C@H](C(=O)[O-])c1ccccc1Cl)c1ccc(C)o1 ZINC001599218010 997615794 /nfs/dbraw/zinc/61/57/94/997615794.db2.gz OLRURNCOGHNMKI-HOCLYGCPSA-N -1 0 337.803 3.735 20 0 EHADRM CO[C@@H]1CCCC[C@@H]1C(=O)Oc1cccc2c(CC(=O)[O-])cccc12 ZINC001599115342 997643018 /nfs/dbraw/zinc/64/30/18/997643018.db2.gz MSVOVCHZMFOCNZ-DLBZAZTESA-N -1 0 342.391 3.578 20 0 EHADRM COc1ccc([C@@H](Nc2cc(C(=O)[O-])ccn2)c2ccccc2)cc1 ZINC001599531700 997665712 /nfs/dbraw/zinc/66/57/12/997665712.db2.gz JPCMOPGJMLJAAL-IBGZPJMESA-N -1 0 334.375 3.990 20 0 EHADRM CO[C@@H]1CCN(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)[C@@H](C)C1 ZINC001599118412 997695556 /nfs/dbraw/zinc/69/55/56/997695556.db2.gz ZFGFDSCWXTZSSL-SWLSCSKDSA-N -1 0 342.395 3.569 20 0 EHADRM C[C@@]1(F)CCCN(C(=O)Nc2cccc(SCCC(=O)[O-])c2)C1 ZINC001594045152 997698128 /nfs/dbraw/zinc/69/81/28/997698128.db2.gz OMQQPQPESKRCBH-MRXNPFEDSA-N -1 0 340.420 3.609 20 0 EHADRM COc1c(C)cc(C(=O)N(CCC(=O)[O-])c2cccc(F)c2)cc1C ZINC001599331314 997753435 /nfs/dbraw/zinc/75/34/35/997753435.db2.gz LEVKAZJEGDWLLZ-UHFFFAOYSA-N -1 0 345.370 3.573 20 0 EHADRM COc1c(C)ccc(NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c1C ZINC001599332952 997778947 /nfs/dbraw/zinc/77/89/47/997778947.db2.gz QVTZEQUCZJEHTG-UHFFFAOYSA-N -1 0 342.395 3.674 20 0 EHADRM C[C@]1(NC(=O)c2cc(F)cc(C(=O)[O-])c2)CCCc2ccccc21 ZINC001594055500 997785434 /nfs/dbraw/zinc/78/54/34/997785434.db2.gz FHSVQIMSVYLUDX-IBGZPJMESA-N -1 0 327.355 3.505 20 0 EHADRM COc1cc(NC(=O)[C@@H](Cc2ccccc2)C(C)C)ccc1C(=O)[O-] ZINC001599433435 997799643 /nfs/dbraw/zinc/79/96/43/997799643.db2.gz SIIOGMWBXMILPP-KRWDZBQOSA-N -1 0 341.407 3.847 20 0 EHADRM COc1c(Cl)cccc1-c1noc([C@@H]2CCC[C@@H](C(=O)[O-])C2)n1 ZINC001599334324 997806821 /nfs/dbraw/zinc/80/68/21/997806821.db2.gz MLPWYLDLKYCRHR-NXEZZACHSA-N -1 0 336.775 3.757 20 0 EHADRM COc1ccc(/C=C(/C)C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1F ZINC001599540957 997841459 /nfs/dbraw/zinc/84/14/59/997841459.db2.gz JWCCCAXSTFKKFU-YFHOEESVSA-N -1 0 347.317 3.714 20 0 EHADRM COC(=O)c1cc(CSC[C@@H]2CC[C@@H]3C[C@@H]3C2)cc(C(=O)[O-])c1 ZINC001598934884 997844898 /nfs/dbraw/zinc/84/48/98/997844898.db2.gz VXCLJDXVIQUSNJ-BNOWGMLFSA-N -1 0 334.437 3.841 20 0 EHADRM COc1ccc(C=CC(=O)[O-])cc1OCC(=O)c1cc(C)sc1C ZINC001599543840 997889587 /nfs/dbraw/zinc/88/95/87/997889587.db2.gz DYAWGEDSQLEMOB-ALCCZGGFSA-N -1 0 346.404 3.733 20 0 EHADRM COC(=O)c1cc(NC(=O)C[C@@H](C)CC(C)(C)C)cc(C(=O)[O-])c1 ZINC001598937718 997901815 /nfs/dbraw/zinc/90/18/15/997901815.db2.gz HDBCHXYYKJDASF-LLVKDONJSA-N -1 0 335.400 3.572 20 0 EHADRM COc1cc(NC(=O)NCc2c(C)cc(C)cc2C)ccc1C(=O)[O-] ZINC001599439170 997902764 /nfs/dbraw/zinc/90/27/64/997902764.db2.gz FEMWMIITZZPMLE-UHFFFAOYSA-N -1 0 342.395 3.640 20 0 EHADRM COc1c(NC(=O)N2CCC[C@H](C(C)C)CC2)cccc1C(=O)[O-] ZINC001599340953 997922076 /nfs/dbraw/zinc/92/20/76/997922076.db2.gz WAUDFMRIWOHASS-ZDUSSCGKSA-N -1 0 334.416 3.683 20 0 EHADRM COc1cc(NC(=O)Nc2ccc(C(=O)[O-])cc2C)c(C)cc1C ZINC001599440878 997927684 /nfs/dbraw/zinc/92/76/84/997927684.db2.gz ILPMUFGWCAFGLZ-UHFFFAOYSA-N -1 0 328.368 3.963 20 0 EHADRM COCCN(CC(C)C)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001599235299 997934388 /nfs/dbraw/zinc/93/43/88/997934388.db2.gz QSSJTSUZEVJVDZ-UHFFFAOYSA-N -1 0 344.411 3.674 20 0 EHADRM COc1cc(N[C@H](C)c2ncc(C(=O)[O-])s2)ccc1OC(C)C ZINC001599443515 997969450 /nfs/dbraw/zinc/96/94/50/997969450.db2.gz VEBQIYNXZGOBEB-SNVBAGLBSA-N -1 0 336.413 3.810 20 0 EHADRM COc1cc(OC(=O)CCc2cccc(Cl)c2)ccc1C(=O)[O-] ZINC001599446269 998015474 /nfs/dbraw/zinc/01/54/74/998015474.db2.gz WZRYDQKJPXGDNJ-UHFFFAOYSA-N -1 0 334.755 3.585 20 0 EHADRM COc1cc(OC(=O)[C@]2(c3ccccc3)CC2(C)C)ccc1C(=O)[O-] ZINC001599446572 998019443 /nfs/dbraw/zinc/01/94/43/998019443.db2.gz ZHJFUAJFLHRCJE-HXUWFJFHSA-N -1 0 340.375 3.667 20 0 EHADRM COc1ccc(CCC(=O)Oc2ccc(C(=O)[O-])cc2Cl)cc1 ZINC001599552977 998040747 /nfs/dbraw/zinc/04/07/47/998040747.db2.gz SEEYMCKEOXQDIM-UHFFFAOYSA-N -1 0 334.755 3.585 20 0 EHADRM COc1cc(OC(=O)c2cc(C)c(C)cc2Cl)ccc1C(=O)[O-] ZINC001599448209 998044952 /nfs/dbraw/zinc/04/49/52/998044952.db2.gz SDTFBNSMXGKESD-UHFFFAOYSA-N -1 0 334.755 3.883 20 0 EHADRM Cc1ccc([C@H]2NC(=O)N(c3ccc(C)cc3)C(C)=C2C(=O)[O-])cc1 ZINC001594098267 998079595 /nfs/dbraw/zinc/07/95/95/998079595.db2.gz POQQZZMJSYKXFD-GOSISDBHSA-N -1 0 336.391 3.933 20 0 EHADRM COC(=O)c1cc(NCc2cc(C(=O)[O-])ccc2Cl)ccc1C ZINC001598947947 998091670 /nfs/dbraw/zinc/09/16/70/998091670.db2.gz CYJAZXNDHHOYPJ-UHFFFAOYSA-N -1 0 333.771 3.745 20 0 EHADRM COc1cc(OC)cc([C@H](Sc2ccccc2OC)C(=O)[O-])c1 ZINC001599451538 998111215 /nfs/dbraw/zinc/11/12/15/998111215.db2.gz KJCHLNJVLNKIES-INIZCTEOSA-N -1 0 334.393 3.630 20 0 EHADRM CC1=C(C(=O)[O-])C[C@H](CN(C)Cc2cccc(Cl)c2Cl)O1 ZINC001594100958 998115919 /nfs/dbraw/zinc/11/59/19/998115919.db2.gz YQWDVIGHKBNCET-LLVKDONJSA-N -1 0 330.211 3.573 20 0 EHADRM CC1=C(C(=O)[O-])C[C@H](COc2ccc(Br)c(Cl)c2)O1 ZINC001594105575 998161808 /nfs/dbraw/zinc/16/18/08/998161808.db2.gz DHKPITAFRMFTCI-SECBINFHSA-N -1 0 347.592 3.629 20 0 EHADRM COc1cc(Oc2nc(C)nc3sc(C(=O)[O-])c(C)c32)ccc1F ZINC001599457251 998208339 /nfs/dbraw/zinc/20/83/39/998208339.db2.gz CAEUTUDRUKXVJL-UHFFFAOYSA-N -1 0 348.355 3.946 20 0 EHADRM COCCOCc1ccc(N[C@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC001599252160 998250843 /nfs/dbraw/zinc/25/08/43/998250843.db2.gz CDUKPRVPGJLVLK-KRWDZBQOSA-N -1 0 349.814 3.741 20 0 EHADRM COC(=O)c1cc2ccc(OCc3ccc(C)c(C(=O)[O-])c3)cc2o1 ZINC001598957789 998275835 /nfs/dbraw/zinc/27/58/35/998275835.db2.gz NRYRMYSRBIMIIV-UHFFFAOYSA-N -1 0 340.331 3.805 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)c2ccc(CC(C)C)s2)c1O ZINC001599362050 998276850 /nfs/dbraw/zinc/27/68/50/998276850.db2.gz DONXONNIOMMHRL-UHFFFAOYSA-N -1 0 349.408 3.611 20 0 EHADRM COc1ccc(CNC(=O)C[C@H]2CCCCC2(C)C)cc1C(=O)[O-] ZINC001599565603 998280373 /nfs/dbraw/zinc/28/03/73/998280373.db2.gz SHZREVVCYRUNDX-CQSZACIVSA-N -1 0 333.428 3.616 20 0 EHADRM COc1ccc(CNC(=O)C[C@@H](C)CCC=C(C)C)cc1C(=O)[O-] ZINC001599565680 998281752 /nfs/dbraw/zinc/28/17/52/998281752.db2.gz VFMGVZMPMJVHAG-AWEZNQCLSA-N -1 0 333.428 3.782 20 0 EHADRM COc1ccc(-c2csc(CNc3cncc(C(=O)[O-])n3)c2)cc1 ZINC001599469079 998418005 /nfs/dbraw/zinc/41/80/05/998418005.db2.gz JMOWOIFLUYBEIW-UHFFFAOYSA-N -1 0 341.392 3.524 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C ZINC001599372844 998438306 /nfs/dbraw/zinc/43/83/06/998438306.db2.gz QYEKSIQXMAENBS-WCQYABFASA-N -1 0 334.416 3.730 20 0 EHADRM COc1ccc(Cn2cc(N[C@@H](C)CC(C)(C)CC(=O)[O-])cn2)cc1 ZINC001599580207 998516237 /nfs/dbraw/zinc/51/62/37/998516237.db2.gz IBHIAMAMOLMUEU-AWEZNQCLSA-N -1 0 345.443 3.631 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)c1csc2ccccc12 ZINC001599378992 998536389 /nfs/dbraw/zinc/53/63/89/998536389.db2.gz YUYPZUVPGBXBOV-UHFFFAOYSA-N -1 0 328.345 3.827 20 0 EHADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)Nc1ccc(-c2ccccc2)cc1F ZINC001594152429 998540414 /nfs/dbraw/zinc/54/04/14/998540414.db2.gz HEWXNQMSJPEWCO-WFASDCNBSA-N -1 0 342.370 3.820 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC001594158588 998587200 /nfs/dbraw/zinc/58/72/00/998587200.db2.gz JMEREQHYVNRSGB-XBFCOCLRSA-N -1 0 349.496 3.834 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1c1nc(Cl)c(C(F)(F)F)cc1Cl ZINC001594170892 998656640 /nfs/dbraw/zinc/65/66/40/998656640.db2.gz LYHGSIKUTGJSTL-PHDIDXHHSA-N -1 0 343.132 3.707 20 0 EHADRM C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1ccccc1CCC(=O)[O-] ZINC001594173123 998664992 /nfs/dbraw/zinc/66/49/92/998664992.db2.gz LBBFIBALDRSWPP-FZMZJTMJSA-N -1 0 343.345 3.507 20 0 EHADRM COC(=O)c1ccc(NC(=O)[C@H]2CC[C@H](C(C)C)CC2)cc1C(=O)[O-] ZINC001598983673 998681348 /nfs/dbraw/zinc/68/13/48/998681348.db2.gz XZBCOXAQCJYSGZ-JOCQHMNTSA-N -1 0 347.411 3.572 20 0 EHADRM COC(=O)c1ccc2ccccc2c1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001598991943 998745374 /nfs/dbraw/zinc/74/53/74/998745374.db2.gz ZULKQCJYSJKIKC-UHFFFAOYSA-N -1 0 349.342 3.577 20 0 EHADRM COC(=O)c1cccc([C@@H](SC[C@@H]2CC2(Cl)Cl)C(=O)[O-])c1 ZINC001598993646 998759783 /nfs/dbraw/zinc/75/97/83/998759783.db2.gz CEGITAFCZBGNDF-WDEREUQCSA-N -1 0 349.235 3.526 20 0 EHADRM CC1CC(C(=O)NCC2(C(=O)[O-])CCCC2)(c2cccc(Cl)c2)C1 ZINC001594202821 998781388 /nfs/dbraw/zinc/78/13/88/998781388.db2.gz BAGQRIUSGBMEIZ-UHFFFAOYSA-N -1 0 349.858 3.769 20 0 EHADRM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1C(=O)C[C@H]1CCCc2ccccc21 ZINC001594205941 998791731 /nfs/dbraw/zinc/79/17/31/998791731.db2.gz MTIGTTPWZAZOEE-IIAWOOMASA-N -1 0 329.440 3.597 20 0 EHADRM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1C(=O)c1cc2c(cccc2F)s1 ZINC001594206067 998792801 /nfs/dbraw/zinc/79/28/01/998792801.db2.gz OQSHKWDHMIKSAW-NXEZZACHSA-N -1 0 335.400 3.754 20 0 EHADRM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1C(=O)c1ccc(Cl)c(Cl)c1 ZINC001594206992 998795926 /nfs/dbraw/zinc/79/59/26/998795926.db2.gz VDGQCENOJFVBQD-IUCAKERBSA-N -1 0 330.211 3.707 20 0 EHADRM C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001594213962 998824873 /nfs/dbraw/zinc/82/48/73/998824873.db2.gz HCPDXHZKMNQHEI-YOEHRIQHSA-N -1 0 346.471 3.784 20 0 EHADRM C[C@@H]1CC(C)(C)c2cccc(NC(=O)N[C@H]3CC=C(C(=O)[O-])C3)c21 ZINC001594216855 998834463 /nfs/dbraw/zinc/83/44/63/998834463.db2.gz JWLNBLYDDBDIID-YPMHNXCESA-N -1 0 328.412 3.766 20 0 EHADRM C[C@H]1CC(C(=O)N2c3ccccc3C[C@H](C)[C@@H]2C(=O)[O-])C[C@H](C)C1 ZINC001594219315 998841769 /nfs/dbraw/zinc/84/17/69/998841769.db2.gz GWCSYDYQWSAWPI-ZUMXRPEOSA-N -1 0 329.440 3.737 20 0 EHADRM C[C@@H]1C[C@@H](CC(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)CC(C)(C)C1 ZINC001594232844 998888576 /nfs/dbraw/zinc/88/85/76/998888576.db2.gz SMTWHABHWYPCSF-JKIFEVAISA-N -1 0 345.439 3.718 20 0 EHADRM CO[C@@H](C(=O)[O-])c1ccccc1OCc1nc(C(F)(F)F)cs1 ZINC001599026568 999020632 /nfs/dbraw/zinc/02/06/32/999020632.db2.gz MSGRDAZCWVYFRW-GFCCVEGCSA-N -1 0 347.314 3.513 20 0 EHADRM C[C@H]1C[C@H](c2cccnc2)N(C(=O)Nc2cccc(F)c2C(=O)[O-])C1 ZINC001594271296 999049749 /nfs/dbraw/zinc/04/97/49/999049749.db2.gz IEBZFTVVAPJJKL-XHDPSFHLSA-N -1 0 343.358 3.534 20 0 EHADRM COC(C)(C)c1nc(C)c(C(=O)Oc2ccc(C)cc2C(=O)[O-])s1 ZINC001599034922 999076435 /nfs/dbraw/zinc/07/64/35/999076435.db2.gz IXMBNUQLIYMCRO-UHFFFAOYSA-N -1 0 349.408 3.559 20 0 EHADRM C[C@H]1C[C@H]1c1cc(NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)n[nH]1 ZINC001594278233 999077012 /nfs/dbraw/zinc/07/70/12/999077012.db2.gz WIBYPWCPTMOBNO-WRWORJQWSA-N -1 0 334.763 3.529 20 0 EHADRM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001594285886 999106624 /nfs/dbraw/zinc/10/66/24/999106624.db2.gz PYQUFKBTIJVVOT-YXWSMURKSA-N -1 0 341.451 3.603 20 0 EHADRM CO[C@@H](C)c1nsc(N[C@@H](CCC(=O)[O-])CC2CCCCC2)n1 ZINC001599042045 999124555 /nfs/dbraw/zinc/12/45/55/999124555.db2.gz IDNHDNKPWPLAPH-AAEUAGOBSA-N -1 0 341.477 3.861 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)C[C@H]1C ZINC001594292254 999127046 /nfs/dbraw/zinc/12/70/46/999127046.db2.gz OSWHPZKTOWNFOC-FCIGDQIPSA-N -1 0 341.810 3.793 20 0 EHADRM CO[C@H](C)c1nc(CSC[C@@H]2CCCC[C@@H]2C(=O)[O-])cs1 ZINC001599042490 999127828 /nfs/dbraw/zinc/12/78/28/999127828.db2.gz NZQUSUMISCNQPB-MDZLAQPJSA-N -1 0 329.487 3.975 20 0 EHADRM C[C@@H]1CC[C@@](C)(/C=C\C(=O)NC(C)(C)c2cc(C(=O)[O-])on2)C1(C)C ZINC001594295579 999137696 /nfs/dbraw/zinc/13/76/96/999137696.db2.gz DDTODLPBVFGYGH-ZQFPPLQWSA-N -1 0 348.443 3.743 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)C1 ZINC001594315720 999223397 /nfs/dbraw/zinc/22/33/97/999223397.db2.gz YUSMTPIWRRZOIY-KGLIPLIRSA-N -1 0 345.443 3.685 20 0 EHADRM C[C@H]1CC[C@](NC(=O)C2C(C)(C)C2(C)C)(C(=O)[O-])c2ccccc21 ZINC001594318430 999225983 /nfs/dbraw/zinc/22/59/83/999225983.db2.gz GJOXDPAKKWPNOY-FKIZINRSSA-N -1 0 329.440 3.662 20 0 EHADRM C[C@H]1CC[C@H](c2ccccc2)N(C(=O)Nc2ccc(C(=O)[O-])nc2)C1 ZINC001594330533 999270654 /nfs/dbraw/zinc/27/06/54/999270654.db2.gz UAEFKKAPBABTAH-SUMWQHHRSA-N -1 0 339.395 3.785 20 0 EHADRM C[C@H]1CCCC[C@H]1C(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001594363930 999374583 /nfs/dbraw/zinc/37/45/83/999374583.db2.gz OZMGDOASNVJWKP-BLLLJJGKSA-N -1 0 329.396 3.616 20 0 EHADRM C[C@H]1CCCC[C@@H]1OCCNc1ncc(C(=O)[O-])cc1C(F)(F)F ZINC001594371472 999400932 /nfs/dbraw/zinc/40/09/32/999400932.db2.gz APJQRVBGOXTYGD-GWCFXTLKSA-N -1 0 346.349 3.806 20 0 EHADRM CC(C)Oc1c(NC(=O)N2CCC[C@H](C)CC2)cccc1C(=O)[O-] ZINC001594380558 999437408 /nfs/dbraw/zinc/43/74/08/999437408.db2.gz PCEAGQOVTJGBNG-ZDUSSCGKSA-N -1 0 334.416 3.826 20 0 EHADRM CCN(C[C@@H](C)C(=O)[O-])C(=O)N(c1ccccc1)c1ccccc1 ZINC000275293886 1016320088 /nfs/dbraw/zinc/32/00/88/1016320088.db2.gz MKLRYRFRERBGSX-OAHLLOKOSA-N -1 0 326.396 3.987 20 0 EHADRM C[C@H]1CCN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)CC12CCCCC2 ZINC001594397116 999496154 /nfs/dbraw/zinc/49/61/54/999496154.db2.gz UHBAZUUYXABZHV-OWNNVSBGSA-N -1 0 331.412 3.810 20 0 EHADRM CC(C)c1ccc(SCC(=O)N2CC[C@H](C)C[C@H]2C(=O)[O-])cc1 ZINC001594400924 999500057 /nfs/dbraw/zinc/50/00/57/999500057.db2.gz NNVDTXWZFCQWRR-BBRMVZONSA-N -1 0 335.469 3.614 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])nc2)[C@H]1c1cccc(F)c1 ZINC001594403961 999513052 /nfs/dbraw/zinc/51/30/52/999513052.db2.gz WSMQRXHABNQMKA-MEDUHNTESA-N -1 0 343.358 3.534 20 0 EHADRM C[C@@H]1CCN(Cc2cnc(C(=O)[O-])cn2)c2cc(Cl)ccc2S1 ZINC001594426692 999594941 /nfs/dbraw/zinc/59/49/41/999594941.db2.gz MNHPCJITSFYLTE-SNVBAGLBSA-N -1 0 349.843 3.719 20 0 EHADRM C[C@H]1CCc2sc(-c3nnc(-c4ccoc4CC(=O)[O-])o3)cc2C1 ZINC001594450978 999649193 /nfs/dbraw/zinc/64/91/93/999649193.db2.gz QMUCUPIUMLIGBD-VIFPVBQESA-N -1 0 344.392 3.810 20 0 EHADRM CCc1nc(C)c([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)s1 ZINC000655575236 1016373898 /nfs/dbraw/zinc/37/38/98/1016373898.db2.gz GWTIECOHGIDQLV-UHFFFAOYSA-N -1 0 330.862 3.777 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c(F)c1Cl ZINC000655576221 1016383789 /nfs/dbraw/zinc/38/37/89/1016383789.db2.gz NYMFPOROZUYOBD-ZMLRMANQSA-N -1 0 341.810 3.653 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655576600 1016393677 /nfs/dbraw/zinc/39/36/77/1016393677.db2.gz ROZJVIGWJWGUMY-QROFKTNTSA-N -1 0 335.488 3.845 20 0 EHADRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)c1C ZINC000655578212 1016406971 /nfs/dbraw/zinc/40/69/71/1016406971.db2.gz NSELTCAODBTKBJ-NSHDSACASA-N -1 0 341.864 3.925 20 0 EHADRM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3cccc(F)c3C)c2C)o1 ZINC000340144303 1016455542 /nfs/dbraw/zinc/45/55/42/1016455542.db2.gz PLISHKZSRCWBNW-UHFFFAOYSA-N -1 0 349.387 3.535 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)N=c3[nH]c4ccccc4s3)[nH][n-]2)o1 ZINC000340248962 1016784860 /nfs/dbraw/zinc/78/48/60/1016784860.db2.gz FMWFSLKVOYVXOS-UHFFFAOYSA-N -1 0 339.380 3.654 20 0 EHADRM CCC[C@@H]1CCC[C@@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)cc1 ZINC000659118130 1016889275 /nfs/dbraw/zinc/88/92/75/1016889275.db2.gz VAYHXNMTXJEVPI-COXVUDFISA-N -1 0 333.428 3.544 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000340320186 1016937539 /nfs/dbraw/zinc/93/75/39/1016937539.db2.gz HOMJILRTQBPMLK-INIZCTEOSA-N -1 0 348.805 3.788 20 0 EHADRM CC1=CC[C@](C)(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)CC1 ZINC000659767282 1016993687 /nfs/dbraw/zinc/99/36/87/1016993687.db2.gz ZCZMFLGCQVHZEG-PXNSSMCTSA-N -1 0 329.440 3.715 20 0 EHADRM C[C@@H](NC(=O)c1ccc2ccccc2c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655584689 1017011450 /nfs/dbraw/zinc/01/14/50/1017011450.db2.gz MSICIDNRPDPDCF-OAUYIBNBSA-N -1 0 325.408 3.705 20 0 EHADRM Cc1sc(N2CCC3(C=Cc4ccccc4O3)CC2)nc1C(=O)[O-] ZINC000659788994 1017016916 /nfs/dbraw/zinc/01/69/16/1017016916.db2.gz WPJSFAUHBXANHP-UHFFFAOYSA-N -1 0 342.420 3.595 20 0 EHADRM CC[C@@H](C)Oc1cc(CNC(=O)c2ccc([O-])c(Cl)c2)ccn1 ZINC000181921559 1017026433 /nfs/dbraw/zinc/02/64/33/1017026433.db2.gz LJPMQORAAVGWOX-LLVKDONJSA-N -1 0 334.803 3.548 20 0 EHADRM CCCc1cnc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)s1 ZINC000538453499 1017044611 /nfs/dbraw/zinc/04/46/11/1017044611.db2.gz RUPHECTVURCWPY-UHFFFAOYSA-N -1 0 340.470 3.522 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N(CC(C)C)C2CC2)s1 ZINC000471322124 1017060870 /nfs/dbraw/zinc/06/08/70/1017060870.db2.gz QETCDNAYJKLVMH-UHFFFAOYSA-N -1 0 348.447 3.727 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)NC2CCC(C(=O)[O-])CC2)s1 ZINC000414624602 1017064207 /nfs/dbraw/zinc/06/42/07/1017064207.db2.gz JACPEEOZPHACMO-RUXDESIVSA-N -1 0 336.457 3.546 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-][C@@H](C(C)(C)C)C(F)(F)F)cc1C ZINC000584343223 1032159280 /nfs/dbraw/zinc/15/92/80/1032159280.db2.gz DPMNURKOSBDXKQ-ZDUSSCGKSA-N -1 0 337.407 3.700 20 0 EHADRM C[C@@H](c1ccco1)N(C(=O)c1cc(F)c(F)c([O-])c1F)C1CC1 ZINC000183469891 1032172599 /nfs/dbraw/zinc/17/25/99/1032172599.db2.gz LTXHUYCVSOURRF-QMMMGPOBSA-N -1 0 325.286 3.768 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)c2cc(F)c(F)c([O-])c2F)c1 ZINC000183547697 1032177726 /nfs/dbraw/zinc/17/77/26/1032177726.db2.gz PQZZSDLGUDYUOT-MRVPVSSYSA-N -1 0 325.286 3.769 20 0 EHADRM CCOc1cccc2cc([C@H](C)NC(=O)c3cc(C(=O)[O-])co3)oc21 ZINC000183754599 1032201908 /nfs/dbraw/zinc/20/19/08/1032201908.db2.gz ACEVGYQYVMNFQT-JTQLQIEISA-N -1 0 343.335 3.614 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccccc1O ZINC000080923642 1032206040 /nfs/dbraw/zinc/20/60/40/1032206040.db2.gz LDDSFJJUSLDALO-UHFFFAOYSA-N -1 0 331.315 3.520 20 0 EHADRM CCN(c1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1)C(C)C ZINC000449136786 1032232495 /nfs/dbraw/zinc/23/24/95/1032232495.db2.gz CGIJPVFEHBQDLP-MRXNPFEDSA-N -1 0 346.471 3.638 20 0 EHADRM N=c1[n-]nc(-c2ccc(OCCCc3ccccc3Cl)cc2)o1 ZINC000461056759 1032241206 /nfs/dbraw/zinc/24/12/06/1032241206.db2.gz MHQAXENPTPCMHN-UHFFFAOYSA-N -1 0 329.787 3.814 20 0 EHADRM Cc1nnc(-c2cccc(NC(=O)c3cc(F)c([O-])c(Cl)c3)c2)o1 ZINC000184448629 1032271931 /nfs/dbraw/zinc/27/19/31/1032271931.db2.gz MBYXZHYVKFUQGC-UHFFFAOYSA-N -1 0 347.733 3.795 20 0 EHADRM O=S(=O)(CCc1ccccc1)[N-]c1cnc(-c2ccccc2)s1 ZINC000552019796 1032304557 /nfs/dbraw/zinc/30/45/57/1032304557.db2.gz NSKPMKVCQSVOBJ-UHFFFAOYSA-N -1 0 344.461 3.795 20 0 EHADRM O=S(=O)([N-]c1cc2c(cn1)CCCC2)c1csc2ccccc21 ZINC000461191950 1032311018 /nfs/dbraw/zinc/31/10/18/1032311018.db2.gz ZQXCQQXFBHIWEC-UHFFFAOYSA-N -1 0 344.461 3.976 20 0 EHADRM Cc1sc(C2(C(=O)[O-])CCOCC2)nc1-c1ccc(F)cc1F ZINC000905002415 1032316531 /nfs/dbraw/zinc/31/65/31/1032316531.db2.gz OBQJIXRUBODKSH-UHFFFAOYSA-N -1 0 339.363 3.530 20 0 EHADRM CC(C)c1ccccc1NC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000905015739 1032318556 /nfs/dbraw/zinc/31/85/56/1032318556.db2.gz NHEMAGYZMXYHAF-KRWDZBQOSA-N -1 0 344.386 3.767 20 0 EHADRM CCC1=NO[C@H](c2nc(=O)c3snc(-c4ccc(F)cc4)c3[n-]2)C1 ZINC000905032292 1032320419 /nfs/dbraw/zinc/32/04/19/1032320419.db2.gz GCVFGGCJPYCGNV-NSHDSACASA-N -1 0 344.371 3.825 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cc(C3CCCC3)[nH]n2)c1Cl ZINC000538365732 1032323803 /nfs/dbraw/zinc/32/38/03/1032323803.db2.gz ZYVSNCJTSVANPE-UHFFFAOYSA-N -1 0 339.848 3.830 20 0 EHADRM Cc1cccc(C)c1[C@H]1CCCN1C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000905124276 1032352243 /nfs/dbraw/zinc/35/22/43/1032352243.db2.gz UWXBLTIDKYZJEB-IXDOHACOSA-N -1 0 329.440 3.858 20 0 EHADRM CSC1CCC(CNC(=O)c2c(C)ccc(C)c2C(=O)[O-])CC1 ZINC000905128517 1032355913 /nfs/dbraw/zinc/35/59/13/1032355913.db2.gz ZEWJUGQOSJCCBU-UHFFFAOYSA-N -1 0 335.469 3.653 20 0 EHADRM CC(C)(C)OCc1ccccc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000905130832 1032358160 /nfs/dbraw/zinc/35/81/60/1032358160.db2.gz JTMDBAIYTQCHFN-LSDHHAIUSA-N -1 0 331.412 3.607 20 0 EHADRM O=C(CCc1ccc2[nH]ccc2c1)N=c1nc(-c2ccccc2)[n-]s1 ZINC000538426032 1032372018 /nfs/dbraw/zinc/37/20/18/1032372018.db2.gz VAUMOJXWGNVFDG-UHFFFAOYSA-N -1 0 348.431 3.680 20 0 EHADRM CC(C)C[C@@H](CNC(=O)C(C)(C)Cc1cccc(Cl)c1)C(=O)[O-] ZINC000538503441 1032401769 /nfs/dbraw/zinc/40/17/69/1032401769.db2.gz QVYQSESVSAVPPY-AWEZNQCLSA-N -1 0 339.863 3.772 20 0 EHADRM C[C@@H](CC(=O)N[C@H](CC(=O)[O-])C1CCCCC1)c1cccc(F)c1 ZINC000538502916 1032402010 /nfs/dbraw/zinc/40/20/10/1032402010.db2.gz QCUZUMGFSYRCHF-SUMWQHHRSA-N -1 0 335.419 3.859 20 0 EHADRM CN(CCC(=O)[O-])C(=O)Nc1cccc(CSC2CCCC2)c1 ZINC000263040997 1032416659 /nfs/dbraw/zinc/41/66/59/1032416659.db2.gz LVGSJMOIMXIITD-UHFFFAOYSA-N -1 0 336.457 3.801 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1cc(Br)c2nccn2c1 ZINC001211618861 1032486897 /nfs/dbraw/zinc/48/68/97/1032486897.db2.gz VDYHHLQDFXNMKO-UHFFFAOYSA-N -1 0 346.184 3.847 20 0 EHADRM C[C@@H]1C[C@]1(NC(=O)NCCCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000414632134 1017094147 /nfs/dbraw/zinc/09/41/47/1017094147.db2.gz XNIXJQHKAUTKHI-SJKOYZFVSA-N -1 0 338.835 3.519 20 0 EHADRM Cc1c(CN(C)C(=O)[C@H](C)S[C@@H](C)C(=O)[O-])oc2c1cccc2C ZINC000602012172 1032581257 /nfs/dbraw/zinc/58/12/57/1032581257.db2.gz YNQPXHUHNWWJRK-STQMWFEESA-N -1 0 349.452 3.603 20 0 EHADRM CCC(CC)(CC)C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000760995933 1032582264 /nfs/dbraw/zinc/58/22/64/1032582264.db2.gz LUHCKJUOKDFNPF-UHFFFAOYSA-N -1 0 333.453 3.861 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)Nc1ccccc1OC1CCCC1)C(=O)[O-] ZINC000601988531 1032583276 /nfs/dbraw/zinc/58/32/76/1032583276.db2.gz AEQLJIWDNIXXMR-NWDGAFQWSA-N -1 0 337.441 3.541 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1)C(=O)[O-] ZINC000601997596 1032586761 /nfs/dbraw/zinc/58/67/61/1032586761.db2.gz SLVBZQGWUQZNGC-COPLHBTASA-N -1 0 341.860 3.598 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cc(C)c(C)s2)cc1OC ZINC000091012290 1032614562 /nfs/dbraw/zinc/61/45/62/1032614562.db2.gz VAVVWYAYIXNOFC-UHFFFAOYSA-N -1 0 341.454 3.573 20 0 EHADRM COCC[C@@H](Cc1cccc(-c2ccc(C(C)=O)cc2)c1)C(=O)[O-] ZINC000515339796 1032631254 /nfs/dbraw/zinc/63/12/54/1032631254.db2.gz VAEIGXRXDLMAIZ-IBGZPJMESA-N -1 0 326.392 3.836 20 0 EHADRM COc1cc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)c(C2CC2)cc1Cl ZINC000655597097 1017139191 /nfs/dbraw/zinc/13/91/91/1017139191.db2.gz MWODIMIQJUUQEI-MNOVXSKESA-N -1 0 337.803 3.665 20 0 EHADRM Cc1[nH]nc([N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)c1C ZINC000135399747 1017139298 /nfs/dbraw/zinc/13/92/98/1017139298.db2.gz LFWDAGJPPDUEOO-UHFFFAOYSA-N -1 0 348.255 3.751 20 0 EHADRM CCOCc1cccc(NC(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000574068006 1032689730 /nfs/dbraw/zinc/68/97/30/1032689730.db2.gz XYBCGFRCFASQDY-QGZVFWFLSA-N -1 0 342.395 3.513 20 0 EHADRM CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000183462688 1017336098 /nfs/dbraw/zinc/33/60/98/1017336098.db2.gz WYLKZGAMFKPIDI-UHFFFAOYSA-N -1 0 339.178 3.910 20 0 EHADRM Cc1ccc(CCCC(=O)N[C@@H](CC(=O)[O-])C2CCCCC2)cc1 ZINC000537400920 1032702865 /nfs/dbraw/zinc/70/28/65/1032702865.db2.gz IZGZLGLCJZJGPP-SFHVURJKSA-N -1 0 331.456 3.858 20 0 EHADRM Clc1ccccc1CN=c1[n-]nc(CCCc2cccs2)o1 ZINC000537406984 1032709017 /nfs/dbraw/zinc/70/90/17/1032709017.db2.gz LHZFGIGDXXOZSY-UHFFFAOYSA-N -1 0 333.844 3.994 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c1 ZINC000238150771 1017635330 /nfs/dbraw/zinc/63/53/30/1017635330.db2.gz IPASQQLQWCLAGW-NWDGAFQWSA-N -1 0 333.746 3.920 20 0 EHADRM CCC[C@H]([NH2+]Cc1ncc(Br)cc1O)c1ccccn1 ZINC000892911719 1017699124 /nfs/dbraw/zinc/69/91/24/1017699124.db2.gz NJGRXKBKDAGGFM-LBPRGKRZSA-N -1 0 336.233 3.576 20 0 EHADRM O=C(NCc1ccccc1N1CCCC1)c1cc(F)c([O-])c(Cl)c1 ZINC000683616368 1017709406 /nfs/dbraw/zinc/70/94/06/1017709406.db2.gz GEOWCLNGZDZHRA-UHFFFAOYSA-N -1 0 348.805 3.715 20 0 EHADRM CCC[C@H](NC(=O)NC[C@@H](C)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000655865720 1017817383 /nfs/dbraw/zinc/81/73/83/1017817383.db2.gz JZVGIKQAYOPHJP-MFKMUULPSA-N -1 0 346.349 3.567 20 0 EHADRM CC(C)CN(C(=O)NC[C@H](C)C(=O)[O-])[C@@H](C)c1ccccc1Cl ZINC000655881938 1017853296 /nfs/dbraw/zinc/85/32/96/1017853296.db2.gz RYTWCLNOVVHZIH-STQMWFEESA-N -1 0 340.851 3.789 20 0 EHADRM O=C([N-]c1nnc(C(F)F)s1)c1sc2ncccc2c1Cl ZINC001125395362 1018066963 /nfs/dbraw/zinc/06/69/63/1018066963.db2.gz UWAAGQYAPCNKPX-UHFFFAOYSA-N -1 0 346.771 3.991 20 0 EHADRM CCOC(=O)c1oc2ncccc2c1Nc1ccc(C(=O)[O-])c(C)c1 ZINC001211650303 1018080597 /nfs/dbraw/zinc/08/05/97/1018080597.db2.gz YTPJTHKREDFTMI-UHFFFAOYSA-N -1 0 340.335 3.755 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N(C)[C@@H](C)Cc2ccc(C)cc2)s1 ZINC000606543758 1032744769 /nfs/dbraw/zinc/74/47/69/1032744769.db2.gz CIVRWVMSZYVFRB-AWEZNQCLSA-N -1 0 346.500 3.706 20 0 EHADRM O=C(N[C@@H](c1ccccc1)c1ccccn1)c1cc(O)ccc1Cl ZINC000377669769 1018167763 /nfs/dbraw/zinc/16/77/63/1018167763.db2.gz GTXQKVHQUBQSQE-SFHVURJKSA-N -1 0 338.794 3.960 20 0 EHADRM Cc1ccc(C[C@@H](C)N(C)C(=O)N=c2nc(C(C)(C)C)[n-]s2)cc1 ZINC000606571700 1032755098 /nfs/dbraw/zinc/75/50/98/1032755098.db2.gz PULGYDQMFZGTLO-CYBMUJFWSA-N -1 0 346.500 3.661 20 0 EHADRM C[C@H](NC(=O)c1cc(F)c(F)cc1C(=O)[O-])[C@H]1CC2CCC1CC2 ZINC000394249715 1018382268 /nfs/dbraw/zinc/38/22/68/1018382268.db2.gz ZQKRVHSYAPJLKQ-WNYYMSAVSA-N -1 0 337.366 3.608 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2nnc(-c3ccco3)s2)c1 ZINC000471506294 1018393634 /nfs/dbraw/zinc/39/36/34/1018393634.db2.gz SVHLMLSNHZWOOH-UHFFFAOYSA-N -1 0 349.437 3.722 20 0 EHADRM CC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000007056233 1018442306 /nfs/dbraw/zinc/44/23/06/1018442306.db2.gz LGYKOWVOOIRZHK-UHFFFAOYSA-N -1 0 344.219 3.997 20 0 EHADRM C[C@@H](Nc1ncnc2[nH]c3ccccc3c21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656093566 1018522877 /nfs/dbraw/zinc/52/28/77/1018522877.db2.gz WXEWLOJIYJOODA-KGYLQXTDSA-N -1 0 338.411 3.658 20 0 EHADRM Cc1cnc([C@@H](C)/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])s1 ZINC000175894857 1018653308 /nfs/dbraw/zinc/65/33/08/1018653308.db2.gz DDPVQPNKFONBEI-DZYDPXEMSA-N -1 0 325.777 3.899 20 0 EHADRM COc1ccc(CCC(=O)[O-])cc1NCc1nc2c(s1)CCCC2 ZINC000669477762 1032794124 /nfs/dbraw/zinc/79/41/24/1032794124.db2.gz OFWUATXYGCBFDS-UHFFFAOYSA-N -1 0 346.452 3.660 20 0 EHADRM O=C(Nc1nnc(/C=C\c2ccco2)s1)c1csc(C2CC2)n1 ZINC000255415381 1019065008 /nfs/dbraw/zinc/06/50/08/1019065008.db2.gz XUAOYLVBACZSCS-WAYWQWQTSA-N -1 0 344.421 3.888 20 0 EHADRM O=C([O-])c1ccccc1Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC001210967747 1019148404 /nfs/dbraw/zinc/14/84/04/1019148404.db2.gz VRNCHJOHYSZOGB-ZDUSSCGKSA-N -1 0 331.343 3.825 20 0 EHADRM O=C([O-])C1(NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000340671412 1019150950 /nfs/dbraw/zinc/15/09/50/1019150950.db2.gz OBQXJVBKLRWOEX-UHFFFAOYSA-N -1 0 342.342 3.536 20 0 EHADRM COc1ccc(Cl)cc1-c1noc(-c2ccnc(Cl)c2[O-])n1 ZINC001214066135 1019160451 /nfs/dbraw/zinc/16/04/51/1019160451.db2.gz TURYJUJLDMZMPM-UHFFFAOYSA-N -1 0 338.150 3.820 20 0 EHADRM Cc1c(NCc2cnn(-c3ccc(F)cc3)c2)cccc1C(=O)[O-] ZINC000340681627 1019245236 /nfs/dbraw/zinc/24/52/36/1019245236.db2.gz MHHMDPIFENNBRD-UHFFFAOYSA-N -1 0 325.343 3.630 20 0 EHADRM O=C([N-][C@H](COc1ccccc1F)c1ccccc1)C(F)(F)F ZINC000729321131 1019289547 /nfs/dbraw/zinc/28/95/47/1019289547.db2.gz RLUOWZMTQZVYGZ-CYBMUJFWSA-N -1 0 327.277 3.624 20 0 EHADRM C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000262001830 1019513240 /nfs/dbraw/zinc/51/32/40/1019513240.db2.gz DNZRCCBXRPOPDN-FXAINCCUSA-N -1 0 342.222 3.550 20 0 EHADRM CCCN=c1[n-]nc(SCc2ccc(OC)c(Cl)c2)s1 ZINC000513297559 1019519894 /nfs/dbraw/zinc/51/98/94/1019519894.db2.gz USFPRMPCBFLLET-UHFFFAOYSA-N -1 0 329.878 3.736 20 0 EHADRM Cc1[nH][nH]c(=O)c1NC(=O)c1cccnc1SCC1CCCCC1 ZINC000647815804 1019691285 /nfs/dbraw/zinc/69/12/85/1019691285.db2.gz MCDZFXPUTUVXAW-UHFFFAOYSA-N -1 0 346.456 3.743 20 0 EHADRM CSc1ccncc1[N-]C(=S)Nc1ccc(NC(C)=O)cc1 ZINC000749898059 1032849145 /nfs/dbraw/zinc/84/91/45/1032849145.db2.gz RWCCOISPBBIOQI-UHFFFAOYSA-N -1 0 332.454 3.571 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000262848238 1019746144 /nfs/dbraw/zinc/74/61/44/1019746144.db2.gz CWIWXZCJXIPBBD-GXSJLCMTSA-N -1 0 345.317 3.701 20 0 EHADRM COc1cc(NC(=O)[C@@H]2C[C@H]2c2sccc2C)ccc1C(=O)[O-] ZINC000262950541 1019774776 /nfs/dbraw/zinc/77/47/76/1019774776.db2.gz MTTVJJNTHYYTJH-CHWSQXEVSA-N -1 0 331.393 3.506 20 0 EHADRM C[C@H]1CN(C(=O)CCCc2ccc3ccccc3c2)CC[C@H]1C(=O)[O-] ZINC000262960408 1019776932 /nfs/dbraw/zinc/77/69/32/1019776932.db2.gz LYWAPSHWBYZODH-HNAYVOBHSA-N -1 0 339.435 3.732 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000262967627 1019779660 /nfs/dbraw/zinc/77/96/60/1019779660.db2.gz MLXIWBPTWGMBDM-BXKDBHETSA-N -1 0 335.400 3.532 20 0 EHADRM C[C@H](CC(=O)Nc1cccc(CC(=O)[O-])c1)Cc1cccc(F)c1 ZINC000263156928 1019830008 /nfs/dbraw/zinc/83/00/08/1019830008.db2.gz NNJUECRRSGAYNY-ZDUSSCGKSA-N -1 0 329.371 3.660 20 0 EHADRM CCC[C@@H](CNC(=O)c1cc(-c2ccccn2)ccc1Cl)C(=O)[O-] ZINC000263177633 1019834730 /nfs/dbraw/zinc/83/47/30/1019834730.db2.gz LJLQGZUVNROSML-ZDUSSCGKSA-N -1 0 346.814 3.633 20 0 EHADRM CCC[C@H](CNC(=O)CCCCc1nc2ccccc2s1)C(=O)[O-] ZINC000263224349 1019844973 /nfs/dbraw/zinc/84/49/73/1019844973.db2.gz RGCDHZLLRDVJOQ-CYBMUJFWSA-N -1 0 348.468 3.626 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC000263437790 1019905297 /nfs/dbraw/zinc/90/52/97/1019905297.db2.gz OZSDWXXZODACTO-NXVRBGIVSA-N -1 0 331.456 3.748 20 0 EHADRM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)c(C2CC2)c1 ZINC000647132257 1020023308 /nfs/dbraw/zinc/02/33/08/1020023308.db2.gz BPDNHDKKYLOVJI-UHFFFAOYSA-N -1 0 339.363 3.652 20 0 EHADRM Cc1sc2nc(C)nc(Sc3n[n-]c(=NC4CC4)s3)c2c1C ZINC000345334573 1020154078 /nfs/dbraw/zinc/15/40/78/1020154078.db2.gz WIFAUMBUIAGWCG-UHFFFAOYSA-N -1 0 349.510 3.615 20 0 EHADRM Cc1nc2cc([N-]S(=O)(=O)c3cc(C)ccc3Cl)ccc2[nH]1 ZINC000345400985 1020245548 /nfs/dbraw/zinc/24/55/48/1020245548.db2.gz XXQPTAWWEDINEF-UHFFFAOYSA-N -1 0 335.816 3.634 20 0 EHADRM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)cc1 ZINC000548150223 1020323315 /nfs/dbraw/zinc/32/33/15/1020323315.db2.gz DXKZBPCCEQSOLM-UHFFFAOYSA-N -1 0 342.420 3.807 20 0 EHADRM O=C(CCCc1ccc(O)c(F)c1)N[C@@H]1CCCOc2ccccc21 ZINC000345674167 1020422784 /nfs/dbraw/zinc/42/27/84/1020422784.db2.gz SQRYMLLCJMUFRQ-QGZVFWFLSA-N -1 0 343.398 3.884 20 0 EHADRM CCO[C@H](C)c1ncc(C(=O)Nc2cc(Cl)c([O-])cc2F)s1 ZINC000345652129 1020427268 /nfs/dbraw/zinc/42/72/68/1020427268.db2.gz JUZHPXYDBIANQN-SSDOTTSWSA-N -1 0 344.795 3.991 20 0 EHADRM Cc1nc(N[C@H](C)c2ncc(C(=O)[O-])s2)nc(C)c1CC(C)C ZINC000581133968 1020466591 /nfs/dbraw/zinc/46/65/91/1020466591.db2.gz IRCVDEFIGKDJGG-LLVKDONJSA-N -1 0 334.445 3.620 20 0 EHADRM Cc1ccc2nc(C)c(C(=O)Nc3cccc(CC(=O)[O-])c3)cc2c1 ZINC000345744207 1020492793 /nfs/dbraw/zinc/49/27/93/1020492793.db2.gz FZWBYIRWKALORZ-UHFFFAOYSA-N -1 0 334.375 3.731 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])C[N@@H+]1Cc1cc(Cl)ccc1Br ZINC000263532193 1020506804 /nfs/dbraw/zinc/50/68/04/1020506804.db2.gz XDGIQFSPZJGYLP-ZJUUUORDSA-N -1 0 346.652 3.788 20 0 EHADRM COc1c(C(=O)[O-])sc(C)c1-c1cnc(C(F)(F)F)c(OC)c1 ZINC000581201774 1020513022 /nfs/dbraw/zinc/51/30/22/1020513022.db2.gz GANJPWVCFXUQHP-UHFFFAOYSA-N -1 0 347.314 3.853 20 0 EHADRM CC(C)n1ccc(CN=c2[n-]nc(Cc3ccc(Cl)cc3)s2)n1 ZINC000581234641 1020564412 /nfs/dbraw/zinc/56/44/12/1020564412.db2.gz GZLVVWAICNBAAM-UHFFFAOYSA-N -1 0 347.875 3.594 20 0 EHADRM Cc1ccc2oc(C(=O)N3[C@@H]4CCCC[C@@H]4C[C@H]3C(=O)[O-])cc2c1 ZINC000261808401 1020577106 /nfs/dbraw/zinc/57/71/06/1020577106.db2.gz GDTSLQOFRHDZEW-YUELXQCFSA-N -1 0 327.380 3.599 20 0 EHADRM CCCN(C(=O)Nc1ccc2nc(C)sc2c1)[C@H](CC)C(=O)[O-] ZINC000581288518 1020635306 /nfs/dbraw/zinc/63/53/06/1020635306.db2.gz ZXVVEUZSFTUXJL-CYBMUJFWSA-N -1 0 335.429 3.712 20 0 EHADRM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)N=c1cc2ccccn2[nH]1 ZINC000558464663 1020749574 /nfs/dbraw/zinc/74/95/74/1020749574.db2.gz OBVLSGPLHMAROG-ZDUSSCGKSA-N -1 0 334.379 3.727 20 0 EHADRM CCc1ccc(C(=O)[O-])cc1NCc1ccc(O[C@@H]2CCOC2)cc1 ZINC000656566085 1020922811 /nfs/dbraw/zinc/92/28/11/1020922811.db2.gz DADGCJIOIOMDSN-GOSISDBHSA-N -1 0 341.407 3.727 20 0 EHADRM C[C@@H]1CCN(c2nccc3cc(C(F)(F)F)ccc32)C[C@H]1C(=O)[O-] ZINC000581488655 1021010745 /nfs/dbraw/zinc/01/07/45/1021010745.db2.gz SJIRKBGHHWPEHA-QMTHXVAHSA-N -1 0 338.329 3.801 20 0 EHADRM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CC[C@H](C)c1ccccc1 ZINC000160923373 1021024059 /nfs/dbraw/zinc/02/40/59/1021024059.db2.gz DCRQZIKSFLMDIJ-JKSUJKDBSA-N -1 0 345.464 3.778 20 0 EHADRM O=C([O-])c1c2c(nc3ccccc31)/C(=C/c1cn(C3CCC3)nn1)CC2 ZINC000656612652 1021024234 /nfs/dbraw/zinc/02/42/34/1021024234.db2.gz IJDVWTRPZLOWLO-ZRDIBKRKSA-N -1 0 346.390 3.736 20 0 EHADRM CCN(Cc1ccccc1Cl)C(=O)c1c(F)ccc(O)c1F ZINC000341164431 1021036858 /nfs/dbraw/zinc/03/68/58/1021036858.db2.gz BYHHBGDZHBYQOG-UHFFFAOYSA-N -1 0 325.742 3.986 20 0 EHADRM C[C@]12CC3CC(C(=O)N=c4ccc(C5CC5)n[n-]4)(C1)C[C@@](C)(C3)C2 ZINC000341187042 1021059805 /nfs/dbraw/zinc/05/98/05/1021059805.db2.gz GTJXKTXBONKQTL-GOSFSIBNSA-N -1 0 325.456 3.711 20 0 EHADRM Cc1c2cccc(Cl)c2oc1C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000341201468 1021089193 /nfs/dbraw/zinc/08/91/93/1021089193.db2.gz WOMWAPXJNGEGSF-UHFFFAOYSA-N -1 0 327.771 3.736 20 0 EHADRM CCC[C@@H]1CCc2nc([N-]S(=O)(=O)CCCCF)sc2C1 ZINC000518435249 1021180484 /nfs/dbraw/zinc/18/04/84/1021180484.db2.gz YGHVSMAQQKEBIA-LLVKDONJSA-N -1 0 334.482 3.540 20 0 EHADRM Cc1nc2cc(NC(=O)c3ccc4c(c3O)OC(C)(C)C4)ccc2o1 ZINC000436778004 1021205899 /nfs/dbraw/zinc/20/58/99/1021205899.db2.gz PEUANKAYURXXRP-UHFFFAOYSA-N -1 0 338.363 3.808 20 0 EHADRM CC(C)c1cc([N-]S(=O)(=O)Cc2cc(F)ccc2Cl)no1 ZINC000656728081 1021212835 /nfs/dbraw/zinc/21/28/35/1021212835.db2.gz NCPWQIYMMMXJEH-UHFFFAOYSA-N -1 0 332.784 3.532 20 0 EHADRM O=C(NCC1(c2ccncc2)CCCC1)c1cc(F)cc(Cl)c1[O-] ZINC000436764304 1021213733 /nfs/dbraw/zinc/21/37/33/1021213733.db2.gz QBYAKIZRRHAYAB-UHFFFAOYSA-N -1 0 348.805 3.822 20 0 EHADRM O=c1[nH]c(C=Cc2cc(Cl)c([O-])cc2Cl)nc2cnccc12 ZINC000436768803 1021218043 /nfs/dbraw/zinc/21/80/43/1021218043.db2.gz GXAHOGFLGOGWIR-UPHRSURJSA-N -1 0 334.162 3.501 20 0 EHADRM CCCCC[C@H]1CCCN1C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000427213342 1021238376 /nfs/dbraw/zinc/23/83/76/1021238376.db2.gz UVATXPVJPQPOOO-INIZCTEOSA-N -1 0 341.455 3.659 20 0 EHADRM CCn1ncc(C)c1[N-]S(=O)(=O)c1cc(C(C)C)ccc1Cl ZINC000656741946 1021243800 /nfs/dbraw/zinc/24/38/00/1021243800.db2.gz ZKSSTHMDVBTWFC-UHFFFAOYSA-N -1 0 341.864 3.789 20 0 EHADRM O=S(=O)([N-]c1ccsc1)c1cccc(OC(F)(F)F)c1F ZINC000427244550 1021249601 /nfs/dbraw/zinc/24/96/01/1021249601.db2.gz VPJUWLKOPHWIRX-UHFFFAOYSA-N -1 0 341.307 3.587 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)COc2ccccc2)c1 ZINC000436829851 1021262126 /nfs/dbraw/zinc/26/21/26/1021262126.db2.gz BXZZUKUILLYEJB-ZDUSSCGKSA-N -1 0 327.380 3.639 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CCSCc2ccccn2)c1 ZINC000436835235 1021267376 /nfs/dbraw/zinc/26/73/76/1021267376.db2.gz UZBLTPURAZPFRW-UHFFFAOYSA-N -1 0 344.436 3.642 20 0 EHADRM Cc1cn(C2CCCCC2)[nH]c1=NC(=O)c1cc(Cl)ccc1[O-] ZINC000436836599 1021269535 /nfs/dbraw/zinc/26/95/35/1021269535.db2.gz ZZBHFARRPYJVMP-UHFFFAOYSA-N -1 0 333.819 3.730 20 0 EHADRM COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1c([O-])cccc1F ZINC000436823017 1021274093 /nfs/dbraw/zinc/27/40/93/1021274093.db2.gz RZGQJRKJEXXOJI-AWEZNQCLSA-N -1 0 337.778 3.644 20 0 EHADRM O=C(N[C@H](CCO)c1ccco1)c1cc(Cl)c2ccccc2c1[O-] ZINC000436823504 1021276113 /nfs/dbraw/zinc/27/61/13/1021276113.db2.gz VIBHOXHWIHZUPT-OAHLLOKOSA-N -1 0 345.782 3.645 20 0 EHADRM C[C@@H](c1ccc(F)cc1F)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC000656756666 1021277075 /nfs/dbraw/zinc/27/70/75/1021277075.db2.gz FDVQFEAXBLTSQN-AEJSXWLSSA-N -1 0 337.288 3.611 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c1 ZINC000436860492 1021298107 /nfs/dbraw/zinc/29/81/07/1021298107.db2.gz HBBCKJFAVFQVRT-KGLIPLIRSA-N -1 0 329.783 3.990 20 0 EHADRM CC1(C)CO[C@H](c2cccc(Cl)c2)CN1Cc1ccoc1C(=O)[O-] ZINC000656766182 1021299090 /nfs/dbraw/zinc/29/90/90/1021299090.db2.gz RVOYBSXYVYAXSS-HNNXBMFYSA-N -1 0 349.814 3.983 20 0 EHADRM COc1cccc(C[C@H](C)NC(=O)c2cc(F)c([O-])c(Cl)c2)c1 ZINC000436884825 1021334709 /nfs/dbraw/zinc/33/47/09/1021334709.db2.gz DRCOAWWNOAKXQF-JTQLQIEISA-N -1 0 337.778 3.554 20 0 EHADRM [O-]c1cc(Cl)ccc1-c1nc(-c2ccnc(N3CCCC3)c2)no1 ZINC000436891693 1021345607 /nfs/dbraw/zinc/34/56/07/1021345607.db2.gz GXCDDOURHQYKDW-UHFFFAOYSA-N -1 0 342.786 3.758 20 0 EHADRM O=C(NCc1cccs1)c1cc(Br)cc(Cl)c1[O-] ZINC000436905585 1021350345 /nfs/dbraw/zinc/35/03/45/1021350345.db2.gz AYTJSHVKBRWFEV-UHFFFAOYSA-N -1 0 346.633 3.800 20 0 EHADRM CN(C)c1ccccc1CN(C)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436934440 1021397443 /nfs/dbraw/zinc/39/74/43/1021397443.db2.gz SOYDBGXGWJYAAT-UHFFFAOYSA-N -1 0 336.794 3.523 20 0 EHADRM CCC(CC)(CC(=O)Nc1cccc(-c2ncco2)c1C)C(=O)[O-] ZINC000427438766 1021402199 /nfs/dbraw/zinc/40/21/99/1021402199.db2.gz JKGPDDYRJCOYED-UHFFFAOYSA-N -1 0 330.384 3.870 20 0 EHADRM CCSc1cccc(NC(=O)c2nn(-c3ccccc3)cc2[O-])c1 ZINC000439387607 1021402286 /nfs/dbraw/zinc/40/22/86/1021402286.db2.gz NKNOJKOKFSLRAW-UHFFFAOYSA-N -1 0 339.420 3.942 20 0 EHADRM C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436961532 1021410830 /nfs/dbraw/zinc/41/08/30/1021410830.db2.gz HQOJVBKXDWVSQX-MGPLVRAMSA-N -1 0 349.789 3.649 20 0 EHADRM Cc1ccc2c(c1C)OC[C@H]2NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436978035 1021434909 /nfs/dbraw/zinc/43/49/09/1021434909.db2.gz GATPOLRWWCNETD-CQSZACIVSA-N -1 0 335.762 3.665 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1sc2c(c1C(N)=O)C[C@H](C)CC2 ZINC001211621080 1032979372 /nfs/dbraw/zinc/97/93/72/1032979372.db2.gz VUHJGZSUDORGQF-SECBINFHSA-N -1 0 344.436 3.722 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cc(C(F)(F)F)ccc1F ZINC000261751511 1021441184 /nfs/dbraw/zinc/44/11/84/1021441184.db2.gz UUJRVOVCGQKJIK-NSHDSACASA-N -1 0 347.308 3.704 20 0 EHADRM C[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1c(F)cccc1F ZINC000437002781 1021460337 /nfs/dbraw/zinc/46/03/37/1021460337.db2.gz HWXDAGILSGKQGD-ZETCQYMHSA-N -1 0 329.705 3.954 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CC[C@@H](c2ccccc2F)C1 ZINC000437002744 1021460716 /nfs/dbraw/zinc/46/07/16/1021460716.db2.gz SHCRQRVMUBRLHF-SNVBAGLBSA-N -1 0 337.753 3.954 20 0 EHADRM CC(C)c1ccc2c(c1)CN(C(=O)C1CCC(C(=O)[O-])CC1)CC2 ZINC000656851776 1021472537 /nfs/dbraw/zinc/47/25/37/1021472537.db2.gz QUACMYMKFYBJCT-UHFFFAOYSA-N -1 0 329.440 3.586 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Cc1coc2cc3c(cc12)CCC3 ZINC000345992048 1021484240 /nfs/dbraw/zinc/48/42/40/1021484240.db2.gz JUOIBFVMWQKKPU-UHFFFAOYSA-N -1 0 343.423 3.614 20 0 EHADRM CSc1ccc(CCCC(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])cc1 ZINC000518775828 1021535179 /nfs/dbraw/zinc/53/51/79/1021535179.db2.gz XBCBNZFHHLNTDY-APWZRJJASA-N -1 0 349.496 3.881 20 0 EHADRM CCCc1nc(C)c(CNc2ncnc3sc(C(=O)[O-])c(C)c32)o1 ZINC000518777006 1021537242 /nfs/dbraw/zinc/53/72/42/1021537242.db2.gz OCXXAFOAJMRAJG-UHFFFAOYSA-N -1 0 346.412 3.559 20 0 EHADRM CC(C)Sc1ccccc1NC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000581715650 1021607492 /nfs/dbraw/zinc/60/74/92/1021607492.db2.gz IORBRUCGCZHXQS-ZDUSSCGKSA-N -1 0 336.457 3.906 20 0 EHADRM O=C(NCCc1ccccc1OC(F)F)c1ccc([O-])c(Cl)c1 ZINC000188034511 1021612000 /nfs/dbraw/zinc/61/20/00/1021612000.db2.gz BZVYMIIVDBKGAS-UHFFFAOYSA-N -1 0 341.741 3.620 20 0 EHADRM CC(C)[C@@H]1CN(Cc2c(C(=O)[O-])sc3cccc(F)c32)CCO1 ZINC000516656690 1021633507 /nfs/dbraw/zinc/63/35/07/1021633507.db2.gz JQTFYLJQNDTCTI-ZDUSSCGKSA-N -1 0 337.416 3.595 20 0 EHADRM CCC(CC)c1nnc([N-]S(=O)(=O)c2ccc(C)cc2C)s1 ZINC000437199132 1021634936 /nfs/dbraw/zinc/63/49/36/1021634936.db2.gz QAASRFABTWRCNO-UHFFFAOYSA-N -1 0 339.486 3.859 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1Cc1nc(C2CCCC2)no1 ZINC000516665301 1021649413 /nfs/dbraw/zinc/64/94/13/1021649413.db2.gz YRSANGRDRZITNG-HZPDHXFCSA-N -1 0 347.459 3.583 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)N[C@@H](CC(=O)[O-])C1CCCCC1 ZINC000519756870 1021673973 /nfs/dbraw/zinc/67/39/73/1021673973.db2.gz DVSXCJMXMKZMSO-KDOFPFPSSA-N -1 0 349.446 3.934 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ncc(C(C)(C)C)s2)c(C)c1 ZINC000437302511 1021715284 /nfs/dbraw/zinc/71/52/84/1021715284.db2.gz HHUBTEYQCILSNZ-UHFFFAOYSA-N -1 0 340.470 3.558 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000516770544 1021716971 /nfs/dbraw/zinc/71/69/71/1021716971.db2.gz NRHBAFYRLLGIQU-RNCFNFMXSA-N -1 0 335.400 3.532 20 0 EHADRM O=C1c2ccccc2C[C@H]1Sc1n[n-]c(=Nc2ccccc2)s1 ZINC000426496521 1021718839 /nfs/dbraw/zinc/71/88/39/1021718839.db2.gz ORCZYWKQTYVTSI-CQSZACIVSA-N -1 0 339.445 3.603 20 0 EHADRM Cc1ccc(C2CC2)c(C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000581813350 1021781302 /nfs/dbraw/zinc/78/13/02/1021781302.db2.gz ADBSSVKDZWSHHA-GOSISDBHSA-N -1 0 341.382 3.610 20 0 EHADRM O=S(=O)([N-]c1cnccc1-c1cccc(F)c1)c1ccc(F)cc1 ZINC000439874181 1021783336 /nfs/dbraw/zinc/78/33/36/1021783336.db2.gz BEBCQWWDICUSLG-UHFFFAOYSA-N -1 0 346.358 3.828 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(C2CCC2)cc1 ZINC000439900293 1021814330 /nfs/dbraw/zinc/81/43/30/1021814330.db2.gz ISCPLYNNDIBLLX-KURKYZTESA-N -1 0 327.424 3.812 20 0 EHADRM CCc1cc(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)oc1CC ZINC000439929903 1021817976 /nfs/dbraw/zinc/81/79/76/1021817976.db2.gz XERGZEOVOVDSLV-INIZCTEOSA-N -1 0 343.423 3.610 20 0 EHADRM Cc1c(Cl)cc(NC(=O)N[C@H](CC2CC2)C(=O)[O-])cc1Cl ZINC000516948191 1021882069 /nfs/dbraw/zinc/88/20/69/1021882069.db2.gz IFELIJDMJLKQIZ-GFCCVEGCSA-N -1 0 331.199 3.677 20 0 EHADRM Cc1n[n-]c(=NC(=O)c2ccc(-c3cccc4cccnc43)cc2)s1 ZINC000375642201 1021894829 /nfs/dbraw/zinc/89/48/29/1021894829.db2.gz MVKLTTWVXCCTSN-UHFFFAOYSA-N -1 0 346.415 3.736 20 0 EHADRM CC(C)[C@@H](CN=c1nc(C(F)(F)F)[n-]s1)Nc1ccccc1 ZINC000517047237 1021980906 /nfs/dbraw/zinc/98/09/06/1021980906.db2.gz RJAMWUXHGDJYIF-LLVKDONJSA-N -1 0 330.379 3.527 20 0 EHADRM Cc1cc(C([O-])=CS(=O)(=O)c2ccc(C)c(C)c2)c(C)n1C1CC1 ZINC000140173248 1033022481 /nfs/dbraw/zinc/02/24/81/1033022481.db2.gz KPKQFGOJWLDLRA-UHFFFAOYSA-N -1 0 345.464 3.713 20 0 EHADRM Cc1csc(Nc2cccc([N-]S(=O)(=O)c3ccco3)c2)n1 ZINC000437656203 1022033713 /nfs/dbraw/zinc/03/37/13/1022033713.db2.gz ICDCHWARXPDZMM-UHFFFAOYSA-N -1 0 335.410 3.589 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cc(C)c(F)cc2F)cc1F ZINC000440271234 1022057178 /nfs/dbraw/zinc/05/71/78/1022057178.db2.gz NRZUXVGCAXCOFI-UHFFFAOYSA-N -1 0 345.342 3.612 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)cn1 ZINC000440295796 1022072272 /nfs/dbraw/zinc/07/22/72/1022072272.db2.gz NZCGQINPTKQJKU-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM O=S(=O)([N-]c1ccc2ccccc2n1)c1cc(F)ccc1Cl ZINC000517181075 1022100161 /nfs/dbraw/zinc/10/01/61/1022100161.db2.gz FTORFZVOJJKEMY-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM O=C([O-])c1csc(CNCc2ccc(-c3cccc(F)c3)s2)n1 ZINC000426637920 1022109708 /nfs/dbraw/zinc/10/97/08/1022109708.db2.gz HKGURMAYZIBIJO-UHFFFAOYSA-N -1 0 348.424 3.999 20 0 EHADRM O=Cc1ccc(-c2ccc(O)c(C(=O)N3CCC[C@@H]4CCC[C@H]43)c2)o1 ZINC000933568693 1022176309 /nfs/dbraw/zinc/17/63/09/1022176309.db2.gz SOXNKCUUIHHLDW-SUMWQHHRSA-N -1 0 339.391 3.869 20 0 EHADRM CSC[C@@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000581894034 1022181605 /nfs/dbraw/zinc/18/16/05/1022181605.db2.gz HTPLTIHYVZYXEH-SNVBAGLBSA-N -1 0 333.375 3.626 20 0 EHADRM Clc1ccccc1-c1n[n-]c(=NCc2nnc(C3CC3)s2)s1 ZINC000520365777 1022183117 /nfs/dbraw/zinc/18/31/17/1022183117.db2.gz LSESUZHGSMEYDU-UHFFFAOYSA-N -1 0 349.872 3.621 20 0 EHADRM Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000178219872 1022194072 /nfs/dbraw/zinc/19/40/72/1022194072.db2.gz MGGUYHRKOYIRPI-LLVKDONJSA-N -1 0 340.404 3.853 20 0 EHADRM C[C@@](CNC(=O)CC/C=C\c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000574313860 1033035713 /nfs/dbraw/zinc/03/57/13/1033035713.db2.gz XQCPLCKSRQOWTQ-UOMAQRANSA-N -1 0 337.419 3.639 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2nccn2-c2ccccc2)c1 ZINC000430682657 1022213446 /nfs/dbraw/zinc/21/34/46/1022213446.db2.gz XSDBVMNUFWUMEQ-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM CO[C@@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CC[C@@H]1C ZINC000187696687 1022217954 /nfs/dbraw/zinc/21/79/54/1022217954.db2.gz DCGUXLZDRSGWQL-MEDUHNTESA-N -1 0 333.815 3.696 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c1 ZINC000142053246 1033037923 /nfs/dbraw/zinc/03/79/23/1033037923.db2.gz RCROISMNXBBNHF-UHFFFAOYSA-N -1 0 331.315 3.694 20 0 EHADRM Cc1sc2[n-]c(-c3nnc(-c4ccccc4)s3)nc(=O)c2c1C ZINC000187763433 1022236507 /nfs/dbraw/zinc/23/65/07/1022236507.db2.gz OJIWDBCPKGLROK-UHFFFAOYSA-N -1 0 340.433 3.787 20 0 EHADRM N=c1[n-]nc(-c2cccc(-c3nc(-c4ccc(O)cc4)cs3)c2)o1 ZINC000517404824 1022311691 /nfs/dbraw/zinc/31/16/91/1022311691.db2.gz XLWSYUIDOWCOMN-UHFFFAOYSA-N -1 0 336.376 3.645 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)C(C)(C)C)cc1 ZINC000425940918 1022330524 /nfs/dbraw/zinc/33/05/24/1022330524.db2.gz IPKUGSMCJUHWRM-UHFFFAOYSA-N -1 0 347.436 3.725 20 0 EHADRM O=S(=O)([N-]c1ccc2c[nH]nc2c1)c1ccc(Cl)cc1Cl ZINC000143637802 1033049844 /nfs/dbraw/zinc/04/98/44/1033049844.db2.gz LLKYTDIOVBAGRQ-UHFFFAOYSA-N -1 0 342.207 3.671 20 0 EHADRM CS[C@@H]1CCCCN(C(=O)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000517584926 1022474590 /nfs/dbraw/zinc/47/45/90/1022474590.db2.gz NZYILOUXCYAVFH-SNVBAGLBSA-N -1 0 333.375 3.769 20 0 EHADRM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cn2)cc1 ZINC000517611671 1022486438 /nfs/dbraw/zinc/48/64/38/1022486438.db2.gz WJKXIEDCXNFGPI-UHFFFAOYSA-N -1 0 340.832 3.571 20 0 EHADRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1OCC1CC1 ZINC000303761793 1022527057 /nfs/dbraw/zinc/52/70/57/1022527057.db2.gz AAHOTTTYQHFOJE-UHFFFAOYSA-N -1 0 335.400 3.724 20 0 EHADRM O=C(CC1CCOCC1)Nc1cc(Br)cc(Cl)c1[O-] ZINC000330520392 1022594655 /nfs/dbraw/zinc/59/46/55/1022594655.db2.gz ZWUUHUASSOOAJV-UHFFFAOYSA-N -1 0 348.624 3.563 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1ccc(-c2ncco2)cc1 ZINC000188492034 1022608816 /nfs/dbraw/zinc/60/88/16/1022608816.db2.gz KIWJLDGJXJYLES-UHFFFAOYSA-N -1 0 346.433 3.864 20 0 EHADRM COc1c(C)ccc([N-]S(=O)(=O)c2cc(C)c(C)s2)c1C ZINC000330642626 1022627365 /nfs/dbraw/zinc/62/73/65/1022627365.db2.gz FBUXTTWRODGIFP-UHFFFAOYSA-N -1 0 325.455 3.791 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(C3CCCC3)[nH]n2)sc1Cl ZINC000473761646 1022680867 /nfs/dbraw/zinc/68/08/67/1022680867.db2.gz JTNMHHMAIQNMIR-UHFFFAOYSA-N -1 0 345.877 3.891 20 0 EHADRM CC[C@H](C)c1ccc([C@@H](NC(=O)CSCC(=O)[O-])C(C)C)cc1 ZINC000550201430 1022724802 /nfs/dbraw/zinc/72/48/02/1022724802.db2.gz OVVKGGAGZCWTLG-UGSOOPFHSA-N -1 0 337.485 3.831 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)ccc1O)c1cccc2ccccc21 ZINC000008382080 1022809017 /nfs/dbraw/zinc/80/90/17/1022809017.db2.gz RQPPZBDFQAZRJR-UHFFFAOYSA-N -1 0 333.796 4.000 20 0 EHADRM CCC(C)(C)[C@@H]1CCCN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000122112139 1022850335 /nfs/dbraw/zinc/85/03/35/1022850335.db2.gz NNRGCJDUWSLGAP-INIZCTEOSA-N -1 0 327.428 3.619 20 0 EHADRM CC[C@H]1C[C@@H](C)CN1C(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000473819439 1022861503 /nfs/dbraw/zinc/86/15/03/1022861503.db2.gz NZBCQWLXXFAYBB-KOLCDFICSA-N -1 0 336.486 3.649 20 0 EHADRM O=C([O-])CC1(CC(=O)NCCC2Cc3ccccc3C2)CCCCC1 ZINC000430904715 1022867096 /nfs/dbraw/zinc/86/70/96/1022867096.db2.gz VEEXGATYUHCDRP-UHFFFAOYSA-N -1 0 343.467 3.723 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)N(C)C2CCCCC2)s[n-]1 ZINC000473831409 1022914033 /nfs/dbraw/zinc/91/40/33/1022914033.db2.gz VREOJTHFFXYNSI-UHFFFAOYSA-N -1 0 336.486 3.793 20 0 EHADRM Cc1c2cccc(Cl)c2oc1C(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC000579363365 1022922128 /nfs/dbraw/zinc/92/21/28/1022922128.db2.gz PIAWKPMCYQCGJW-LLVKDONJSA-N -1 0 335.787 3.625 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2sc(C)nc2CC(C)C)s1 ZINC000122485374 1022947709 /nfs/dbraw/zinc/94/77/09/1022947709.db2.gz LLSMKILTSXEAAD-UHFFFAOYSA-N -1 0 330.500 3.821 20 0 EHADRM CC[C@H](c1n[n-]c(=NC(=O)c2ccc(F)cc2)s1)c1ccccc1 ZINC000518040548 1022953685 /nfs/dbraw/zinc/95/36/85/1022953685.db2.gz IPFCDPICGFJTOW-HNNXBMFYSA-N -1 0 341.411 3.893 20 0 EHADRM Cc1nc(CNCc2ccc(Oc3ccccc3)o2)sc1C(=O)[O-] ZINC000426678532 1022966466 /nfs/dbraw/zinc/96/64/66/1022966466.db2.gz QMPWSFUEPGHQHS-UHFFFAOYSA-N -1 0 344.392 3.825 20 0 EHADRM Cc1ccc2[nH]c(CN[C@H](C(=O)[O-])c3c(F)cccc3F)cc2c1C ZINC000426729735 1022998490 /nfs/dbraw/zinc/99/84/90/1022998490.db2.gz GJMPFVWIPZUTME-SFHVURJKSA-N -1 0 344.361 3.978 20 0 EHADRM CC(C)(C)c1nc(CN[C@@H](C(=O)[O-])c2c(F)cccc2F)cs1 ZINC000426757722 1023027397 /nfs/dbraw/zinc/02/73/97/1023027397.db2.gz QCUVTDRUMSBOJV-CYBMUJFWSA-N -1 0 340.395 3.634 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NCc2sccc2Br)o1 ZINC000426782193 1023040098 /nfs/dbraw/zinc/04/00/98/1023040098.db2.gz DTIKZVWJHVYDRO-JTQLQIEISA-N -1 0 344.230 3.718 20 0 EHADRM O=C([O-])[C@@H](NCc1nc(-c2ccccc2)cs1)c1ccsc1 ZINC000426782982 1023043034 /nfs/dbraw/zinc/04/30/34/1023043034.db2.gz IUAQZBFGIHPGOI-HNNXBMFYSA-N -1 0 330.434 3.787 20 0 EHADRM O=C([O-])[C@H](NCc1cnc(-c2ccsc2)s1)c1cccs1 ZINC000426808403 1023059928 /nfs/dbraw/zinc/05/99/28/1023059928.db2.gz RDWNJQRXBCBNKJ-GFCCVEGCSA-N -1 0 336.463 3.849 20 0 EHADRM CC(C)C[C@@H](C)n1nccc1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000426889392 1023091360 /nfs/dbraw/zinc/09/13/60/1023091360.db2.gz FDGLUXRHRNHZQH-CYBMUJFWSA-N -1 0 338.411 3.584 20 0 EHADRM CCCCS(=O)(=O)[N-]C(=O)C1(c2cccc(Cl)c2)CCC1 ZINC000048554167 1023169220 /nfs/dbraw/zinc/16/92/20/1023169220.db2.gz NTTLJCPENVCGQG-UHFFFAOYSA-N -1 0 329.849 3.848 20 0 EHADRM CCCCS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C ZINC000048554552 1023169562 /nfs/dbraw/zinc/16/95/62/1023169562.db2.gz KLTCMOLEXHFEQP-CQSZACIVSA-N -1 0 341.473 3.972 20 0 EHADRM c1ccc(COc2ccc(CCN=c3[n-]nc(C4CC4)o3)cc2)cc1 ZINC000341724008 1023185378 /nfs/dbraw/zinc/18/53/78/1023185378.db2.gz UTJUUUIWGMJSJS-UHFFFAOYSA-N -1 0 335.407 3.603 20 0 EHADRM CCC(CC)(CC(=O)Nc1ccc(F)cc1OCC(F)F)C(=O)[O-] ZINC000090987769 1023187408 /nfs/dbraw/zinc/18/74/08/1023187408.db2.gz KCJHPEBPLDSDBN-UHFFFAOYSA-N -1 0 347.333 3.689 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)NCc3ccsc3)n2)cc1 ZINC000438991666 1023196725 /nfs/dbraw/zinc/19/67/25/1023196725.db2.gz DKOVGIRAFXBMGR-UHFFFAOYSA-N -1 0 341.436 3.693 20 0 EHADRM Cc1cnc(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)c([O-])c1 ZINC000427118208 1023228566 /nfs/dbraw/zinc/22/85/66/1023228566.db2.gz UQFFJUMTUUFOPV-UHFFFAOYSA-N -1 0 346.799 3.520 20 0 EHADRM C[C@@H]1CCn2ncc(C(=O)Nc3cc(Cl)c([O-])c(Cl)c3)c2C1 ZINC000519601103 1023259168 /nfs/dbraw/zinc/25/91/68/1023259168.db2.gz HFDFUEVPYZTKAL-MRVPVSSYSA-N -1 0 340.210 3.730 20 0 EHADRM Cc1n[n-]c(=NC(=O)N2CCC[C@@H](CCCc3ccccc3)C2)s1 ZINC000439080915 1023260764 /nfs/dbraw/zinc/26/07/64/1023260764.db2.gz ZKHDCCNYWRBEJB-MRXNPFEDSA-N -1 0 344.484 3.535 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3C[C@@H](C)CC[C@H]3C)n2)cc1 ZINC000439091605 1023267342 /nfs/dbraw/zinc/26/73/42/1023267342.db2.gz NGTJCINSUYLSJJ-LSDHHAIUSA-N -1 0 341.455 3.962 20 0 EHADRM Cc1ccc2c(c1)OCCN2C(=O)c1ccc(Br)cc1[O-] ZINC000091673192 1023294125 /nfs/dbraw/zinc/29/41/25/1023294125.db2.gz SHHVEHHDJYOMLQ-UHFFFAOYSA-N -1 0 348.196 3.502 20 0 EHADRM COc1cccc(-c2nc(=NC(=O)CC3CCCCC3)s[n-]2)c1 ZINC000476315303 1033133014 /nfs/dbraw/zinc/13/30/14/1033133014.db2.gz IXHILYCPPZYJPO-UHFFFAOYSA-N -1 0 331.441 3.545 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)nn1-c1cc(C)cc(C)c1 ZINC000431186738 1023450367 /nfs/dbraw/zinc/45/03/67/1023450367.db2.gz JIUDTIVULMVPJR-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2scnc2C2CC2)c(C)c1 ZINC000535685788 1023564103 /nfs/dbraw/zinc/56/41/03/1023564103.db2.gz LAUVLIGUORBTFN-UHFFFAOYSA-N -1 0 338.454 3.528 20 0 EHADRM O=C(C[C@H]1CCC2(CCC2)CO1)Nc1cc(Cl)c([O-])cc1F ZINC000897757269 1033151926 /nfs/dbraw/zinc/15/19/26/1033151926.db2.gz BMVADOZFVDCYAP-SNVBAGLBSA-N -1 0 327.783 3.863 20 0 EHADRM O=C(NCCCc1cccs1)c1cccc(Br)c1[O-] ZINC000535830102 1023818011 /nfs/dbraw/zinc/81/80/11/1023818011.db2.gz OHILBBFYONKPDF-UHFFFAOYSA-N -1 0 340.242 3.579 20 0 EHADRM CCc1ccc(CC(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000346025970 1023954134 /nfs/dbraw/zinc/95/41/34/1023954134.db2.gz XPBLAIQOHHFOEL-KRWDZBQOSA-N -1 0 345.826 3.777 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2ccnn2C2CCCCC2)cc1 ZINC000727246453 1023972074 /nfs/dbraw/zinc/97/20/74/1023972074.db2.gz RQVIAYPEJLHVFE-UHFFFAOYSA-N -1 0 349.456 3.588 20 0 EHADRM C[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1ccccc1-n1cccn1 ZINC000150899308 1023981049 /nfs/dbraw/zinc/98/10/49/1023981049.db2.gz QWCMKGRRRODXGB-LBPRGKRZSA-N -1 0 341.798 3.722 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CC(CC(F)F)C1 ZINC000425072436 1023982546 /nfs/dbraw/zinc/98/25/46/1023982546.db2.gz CJWVHALGCHFXLC-UHFFFAOYSA-N -1 0 325.742 3.926 20 0 EHADRM Cc1ccc(NC(=O)c2c(C(C)C)[n-]n(-c3ccccc3)c2=O)cc1 ZINC000505415620 1023998395 /nfs/dbraw/zinc/99/83/95/1023998395.db2.gz PHFJROCYHHUKRR-KRWDZBQOSA-N -1 0 335.407 3.609 20 0 EHADRM CC[C@H](C)[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000191093683 1024015583 /nfs/dbraw/zinc/01/55/83/1024015583.db2.gz AGCRNZPYZCGLSR-RBZYPMLTSA-N -1 0 329.799 3.793 20 0 EHADRM O=S(=O)([N-]c1cccc2ccsc21)c1c(F)cccc1F ZINC000443472684 1024018588 /nfs/dbraw/zinc/01/85/88/1024018588.db2.gz DCJXZSUCVPAAHY-UHFFFAOYSA-N -1 0 325.361 3.980 20 0 EHADRM Cc1cc2occ(CC(=O)N[C@@H](C)CCC(=O)[O-])c2cc1C(C)C ZINC000236623191 1024033766 /nfs/dbraw/zinc/03/37/66/1024033766.db2.gz IPADQGIHRXVJPA-ZDUSSCGKSA-N -1 0 331.412 3.777 20 0 EHADRM Fc1cccc(N=c2[n-]nc(SC[C@@H](F)C(F)(F)F)s2)c1 ZINC000443486283 1024036039 /nfs/dbraw/zinc/03/60/39/1024036039.db2.gz QGPNPLUMSLGAGF-MRVPVSSYSA-N -1 0 341.330 3.835 20 0 EHADRM CC[C@](CC(=O)[O-])(C(=O)Nc1ccccc1F)c1ccc(C)cc1 ZINC000634815061 1024037596 /nfs/dbraw/zinc/03/75/96/1024037596.db2.gz YMPNZYVTBDUBDM-LJQANCHMSA-N -1 0 329.371 3.895 20 0 EHADRM CC(C)COc1ccc(CC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000236667855 1024072954 /nfs/dbraw/zinc/07/29/54/1024072954.db2.gz CALVEVRKWXYWMN-KRWDZBQOSA-N -1 0 347.455 3.510 20 0 EHADRM CC(=O)c1cc(-c2cccc(COC(C)C)c2)ccc1OCC(=O)[O-] ZINC000657203714 1024083912 /nfs/dbraw/zinc/08/39/12/1024083912.db2.gz SFJRHADBOSLVRJ-UHFFFAOYSA-N -1 0 342.391 3.945 20 0 EHADRM CCOCc1ccc(-c2cncc([C@@H]3OCC[C@H]3C(=O)[O-])c2)cc1F ZINC000657203931 1024084143 /nfs/dbraw/zinc/08/41/43/1024084143.db2.gz LTHCUYBLHDAEOB-AEFFLSMTSA-N -1 0 345.370 3.586 20 0 EHADRM CCOCCC1(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)CCCC1 ZINC000191410385 1024084997 /nfs/dbraw/zinc/08/49/97/1024084997.db2.gz XVCQRQBUTUPQEP-OAHLLOKOSA-N -1 0 347.455 3.875 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000191396819 1024088568 /nfs/dbraw/zinc/08/85/68/1024088568.db2.gz LFXQFVHBFFUDMU-GUYCJALGSA-N -1 0 333.428 3.626 20 0 EHADRM Cc1cc(-c2cc(C(F)(F)F)nn2C)ccc1SCC(=O)[O-] ZINC000657205653 1024096073 /nfs/dbraw/zinc/09/60/73/1024096073.db2.gz CKZPJBZLXZLZDB-UHFFFAOYSA-N -1 0 330.331 3.591 20 0 EHADRM O=C([O-])c1csc(-c2cc(F)ccc2OC[C@H]2CCCCO2)n1 ZINC000657204804 1024096249 /nfs/dbraw/zinc/09/62/49/1024096249.db2.gz MMTPKUPJCZLWBB-LLVKDONJSA-N -1 0 337.372 3.595 20 0 EHADRM CC[C@H](Cc1cccc(-c2cc(C(F)(F)F)nn2C)c1)C(=O)[O-] ZINC000657206055 1024104692 /nfs/dbraw/zinc/10/46/92/1024104692.db2.gz ZGLSWLMAINAYPF-LLVKDONJSA-N -1 0 326.318 3.759 20 0 EHADRM CC(C)(C)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)c(O)c1 ZINC000443531188 1024106148 /nfs/dbraw/zinc/10/61/48/1024106148.db2.gz KNSQIVSTSUMPDX-UHFFFAOYSA-N -1 0 341.379 3.769 20 0 EHADRM CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c(O)c1 ZINC000443534977 1024115969 /nfs/dbraw/zinc/11/59/69/1024115969.db2.gz SJDAXBAGYVYAPV-UHFFFAOYSA-N -1 0 341.379 3.769 20 0 EHADRM COc1cccc([C@H](C)NC(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)c1 ZINC000522622536 1024123491 /nfs/dbraw/zinc/12/34/91/1024123491.db2.gz YGWMKBIRMHXHDF-XOBRGWDASA-N -1 0 347.455 3.934 20 0 EHADRM Cc1ccc(O[C@H](C)C(=O)[O-])c(-c2cccc3c2OCCCO3)c1 ZINC000657207470 1024130836 /nfs/dbraw/zinc/13/08/36/1024130836.db2.gz MQRHNDLBXNZAKJ-CYBMUJFWSA-N -1 0 328.364 3.675 20 0 EHADRM CC[C@H](C)[C@H]([N-]S(=O)(=O)Cc1ccccc1Cl)C(F)(F)F ZINC000443937358 1024134326 /nfs/dbraw/zinc/13/43/26/1024134326.db2.gz RVAZKDSEBNBFEM-CABZTGNLSA-N -1 0 343.798 3.736 20 0 EHADRM Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C(=O)Nc1ccc(C)cc1 ZINC000505431997 1024152882 /nfs/dbraw/zinc/15/28/82/1024152882.db2.gz CNVXDKTWRSASGN-SFHVURJKSA-N -1 0 335.407 3.589 20 0 EHADRM Cc1ccc(NC(=O)c2c(C)[n-]n(-c3ccc(C)cc3C)c2=O)s1 ZINC000505438844 1024181830 /nfs/dbraw/zinc/18/18/30/1024181830.db2.gz SDTQZCTUYDCSRZ-MRXNPFEDSA-N -1 0 341.436 3.651 20 0 EHADRM C[C@@H]1CCc2c(C(=O)N3[C@@H]4CCCC[C@@H]4C[C@H]3C(=O)[O-])csc2C1 ZINC000324099024 1024200608 /nfs/dbraw/zinc/20/06/08/1024200608.db2.gz LAKAOKUEWANLQW-BHTHQVBYSA-N -1 0 347.480 3.731 20 0 EHADRM CCOc1ccccc1[N-]S(=O)(=O)c1c(C)cc(C)cc1OC ZINC000434633587 1024212017 /nfs/dbraw/zinc/21/20/17/1024212017.db2.gz JLNQRQYFJMZAHS-UHFFFAOYSA-N -1 0 335.425 3.512 20 0 EHADRM O=C([O-])[C@H](CC1CC1)NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000262209717 1024289087 /nfs/dbraw/zinc/28/90/87/1024289087.db2.gz KWTRRBLWTAQRLF-IBGZPJMESA-N -1 0 337.419 3.578 20 0 EHADRM C[C@H](CC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21)Cc1cccc(F)c1 ZINC000192944711 1024291810 /nfs/dbraw/zinc/29/18/10/1024291810.db2.gz IOSXZQXXSFFLCT-SUMWQHHRSA-N -1 0 341.382 3.609 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cc2c(cccc2F)[nH]1 ZINC000472012714 1024293740 /nfs/dbraw/zinc/29/37/40/1024293740.db2.gz ZUTSOVDTTFTEDY-UHFFFAOYSA-N -1 0 326.327 3.874 20 0 EHADRM O=C(NCCCCOCc1ccccc1)c1ccc([O-])c(Cl)c1 ZINC000051442755 1024299511 /nfs/dbraw/zinc/29/95/11/1024299511.db2.gz SGXBBCTVCHEANI-UHFFFAOYSA-N -1 0 333.815 3.772 20 0 EHADRM CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184421900 1024415749 /nfs/dbraw/zinc/41/57/49/1024415749.db2.gz CMTXZPNQQDJZFF-ZUZCIYMTSA-N -1 0 343.826 3.756 20 0 EHADRM CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184421938 1024417381 /nfs/dbraw/zinc/41/73/81/1024417381.db2.gz CMTXZPNQQDJZFF-MEBBXXQBSA-N -1 0 343.826 3.756 20 0 EHADRM C[C@H](CNC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1)CC(=O)[O-] ZINC000262227035 1024431705 /nfs/dbraw/zinc/43/17/05/1024431705.db2.gz NQXVWAORFDKIEB-JTQLQIEISA-N -1 0 344.238 3.642 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2cc(C)c(C)s2)cc2cccnc21 ZINC000427622274 1024450573 /nfs/dbraw/zinc/45/05/73/1024450573.db2.gz HWXVOLCSKXLMQL-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM CC[C@H](CSc1ccc(C)c(C)c1)N=c1nc(COC)[n-]s1 ZINC000443705012 1024467175 /nfs/dbraw/zinc/46/71/75/1024467175.db2.gz GCQFOHARPWNVSH-CYBMUJFWSA-N -1 0 337.514 3.706 20 0 EHADRM C[C@H]1CCCC[C@@H]1C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000425251879 1024509291 /nfs/dbraw/zinc/50/92/91/1024509291.db2.gz YIPUVMZPTWMBHZ-JSGCOSHPSA-N -1 0 339.382 3.594 20 0 EHADRM C[C@@]([N-]S(=O)(=O)c1ccccc1)(c1ccc(F)cc1)C(F)(F)F ZINC000479150149 1024575245 /nfs/dbraw/zinc/57/52/45/1024575245.db2.gz AMRGUAHCQPVBJL-CQSZACIVSA-N -1 0 347.333 3.582 20 0 EHADRM O=C([O-])C/C(=C/c1csnn1)c1nc2cc(Cl)ccc2s1 ZINC000520764061 1024645302 /nfs/dbraw/zinc/64/53/02/1024645302.db2.gz OLZXHCYKRUGIOL-CLTKARDFSA-N -1 0 337.813 3.817 20 0 EHADRM CCOC(=O)c1ccc(/C=C(\CC(=O)[O-])c2nc3ccccc3o2)o1 ZINC000435156385 1024654015 /nfs/dbraw/zinc/65/40/15/1024654015.db2.gz BPMPZRBNOJXFSU-PKNBQFBNSA-N -1 0 341.319 3.613 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)CCCOc1cccc(Cl)c1Cl ZINC000909452572 1024674718 /nfs/dbraw/zinc/67/47/18/1024674718.db2.gz GAFHKSTZGWNSJR-SNVBAGLBSA-N -1 0 348.226 3.522 20 0 EHADRM Cc1cc2scc(CC(=O)N(C[C@H](C)C(=O)[O-])C3CC3)c2s1 ZINC000909453284 1024685403 /nfs/dbraw/zinc/68/54/03/1024685403.db2.gz DACIMHRDQKLBMX-VIFPVBQESA-N -1 0 337.466 3.525 20 0 EHADRM COCc1cc(NC(=O)[C@@H]2CCCc3sccc32)cc(C(=O)[O-])c1 ZINC000427704673 1024746220 /nfs/dbraw/zinc/74/62/20/1024746220.db2.gz DVXYKESCNMTYHP-OAHLLOKOSA-N -1 0 345.420 3.651 20 0 EHADRM Cc1c(S(=O)(=O)[N-]c2nc(C(C)(C)C)co2)c2ccccc2n1C ZINC000427771638 1024773968 /nfs/dbraw/zinc/77/39/68/1024773968.db2.gz RDVOCEKNYBFIAG-UHFFFAOYSA-N -1 0 347.440 3.573 20 0 EHADRM CCCCCOc1ccc(S(=O)(=O)Nc2ccc(C)nc2)cc1 ZINC000431320846 1024813694 /nfs/dbraw/zinc/81/36/94/1024813694.db2.gz OPXPPYZCGFJGTJ-UHFFFAOYSA-N -1 0 334.441 3.760 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)c1ccc(-c2ccc(F)cc2)cc1F)C1CC1 ZINC000262632641 1033240253 /nfs/dbraw/zinc/24/02/53/1033240253.db2.gz OSWHQUYBWWJYLV-NSHDSACASA-N -1 0 345.345 3.710 20 0 EHADRM COc1cccc(Oc2ccc(NC(=O)CC(C)(C)C(=O)[O-])cc2)c1 ZINC000262247896 1024913124 /nfs/dbraw/zinc/91/31/24/1024913124.db2.gz PBEZIMSLRORHTG-UHFFFAOYSA-N -1 0 343.379 3.927 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)c1ccn(C2CCCCC2)n1 ZINC000909465855 1024926687 /nfs/dbraw/zinc/92/66/87/1024926687.db2.gz FQOUZQQKNWLTCM-UHFFFAOYSA-N -1 0 335.448 3.543 20 0 EHADRM COc1ccccc1-c1n[n-]c(=NCc2cc3ccccc3s2)o1 ZINC000514956654 1024929791 /nfs/dbraw/zinc/92/97/91/1024929791.db2.gz RJGJCKOQBSCLNI-UHFFFAOYSA-N -1 0 337.404 3.994 20 0 EHADRM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2ccc(Cl)s2)n[nH]1 ZINC000474422080 1024936786 /nfs/dbraw/zinc/93/67/86/1024936786.db2.gz OTWOXITXTWAUPI-UHFFFAOYSA-N -1 0 333.866 3.514 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000515009251 1024968776 /nfs/dbraw/zinc/96/87/76/1024968776.db2.gz TWPLOKAHAYCQLC-UHFFFAOYSA-N -1 0 343.379 3.977 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1cccc([C@H]2CCOC2)c1 ZINC000474439606 1024974801 /nfs/dbraw/zinc/97/48/01/1024974801.db2.gz UYHKZPRHCNSURA-LBPRGKRZSA-N -1 0 335.762 3.941 20 0 EHADRM Fc1cc([C@@H]2C[C@H]2N=c2[n-]nc(C(F)(F)F)s2)ccc1Cl ZINC000435571495 1025003923 /nfs/dbraw/zinc/00/39/23/1025003923.db2.gz VVXYZQDGQGDDTL-IMTBSYHQSA-N -1 0 337.729 3.739 20 0 EHADRM FC(F)(F)c1cccc(C2(CN=c3[n-]nc(C4CC4)o3)CCC2)c1 ZINC000342348370 1025011410 /nfs/dbraw/zinc/01/14/10/1025011410.db2.gz LAUHTCOULIJTPF-UHFFFAOYSA-N -1 0 337.345 3.922 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)N(C)[C@H](CC(C)C)C(=O)[O-] ZINC000684724453 1025029119 /nfs/dbraw/zinc/02/91/19/1025029119.db2.gz ZTQJGGHTMHMEJW-DZGCQCFKSA-N -1 0 346.427 3.943 20 0 EHADRM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)Cc2cccc(C(=O)[O-])c2)o1 ZINC000262152694 1025038208 /nfs/dbraw/zinc/03/82/08/1025038208.db2.gz JRYIGFUCERHKTE-CXAGYDPISA-N -1 0 341.407 3.829 20 0 EHADRM COc1ccc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)cc1Cl ZINC000013249348 1025086743 /nfs/dbraw/zinc/08/67/43/1025086743.db2.gz NIJUFBMQUWSBGQ-SFHVURJKSA-N -1 0 347.798 3.720 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)cn1 ZINC000431338111 1025090030 /nfs/dbraw/zinc/09/00/30/1025090030.db2.gz RFVSFAMAEMFHEM-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM CCC(CC)(NC(=O)N[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000684736264 1025119087 /nfs/dbraw/zinc/11/90/87/1025119087.db2.gz POFLFNKCHRJCII-JTQLQIEISA-N -1 0 346.349 3.709 20 0 EHADRM CC(C)C[C@H](C(=O)[O-])N(C)C(=O)N[C@@H]1CC(C)(C)c2ccccc21 ZINC000684735808 1025126404 /nfs/dbraw/zinc/12/64/04/1025126404.db2.gz NMYIVBVROWQTSH-HZPDHXFCSA-N -1 0 332.444 3.550 20 0 EHADRM CCCc1nc(=NC(=O)CC(C)(C)CC(=O)c2ccccc2)s[n-]1 ZINC000442030688 1025145410 /nfs/dbraw/zinc/14/54/10/1025145410.db2.gz MHRYWZORCGOGNB-UHFFFAOYSA-N -1 0 345.468 3.540 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2CCC[C@H]2c2cc(C)ccc2C)s1 ZINC000474560769 1025150431 /nfs/dbraw/zinc/15/04/31/1025150431.db2.gz BXLXZLBLAXQJAL-HNNXBMFYSA-N -1 0 344.484 3.898 20 0 EHADRM C/C=C\C[C@H](NC(=O)Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)[O-] ZINC000684742501 1025186208 /nfs/dbraw/zinc/18/62/08/1025186208.db2.gz SWYQIQAJJMWDMB-KVLZDYKBSA-N -1 0 336.391 3.799 20 0 EHADRM CC(C)c1cccnc1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000444061172 1025209475 /nfs/dbraw/zinc/20/94/75/1025209475.db2.gz ZRRVLKOAPJCDES-UHFFFAOYSA-N -1 0 328.796 3.798 20 0 EHADRM CSc1ccc(NC(=O)N([C@@H](C)C(=O)[O-])C2CCC2)cc1Cl ZINC000684747562 1025239908 /nfs/dbraw/zinc/23/99/08/1025239908.db2.gz BVQPYGVUSHMLDJ-VIFPVBQESA-N -1 0 342.848 3.921 20 0 EHADRM O=C([O-])CCCNC(=O)N1CCCCC[C@H]1/C=C\c1cccs1 ZINC000521212062 1025267708 /nfs/dbraw/zinc/26/77/08/1025267708.db2.gz SWAFNMCHOIYZBD-CMUBDUJZSA-N -1 0 336.457 3.580 20 0 EHADRM CSc1ccc(NC(=O)N2CCCCC[C@@H]2C(=O)[O-])cc1Cl ZINC000684750292 1025272152 /nfs/dbraw/zinc/27/21/52/1025272152.db2.gz XFUZOIGAYSHSJW-GFCCVEGCSA-N -1 0 342.848 3.923 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2cc(Cl)c(F)c(Cl)c2)CCC1 ZINC000232045243 1025302398 /nfs/dbraw/zinc/30/23/98/1025302398.db2.gz NOMIIWNWGPTCCA-UHFFFAOYSA-N -1 0 335.162 3.509 20 0 EHADRM CC(C)OCc1cccc([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000063849409 1025315998 /nfs/dbraw/zinc/31/59/98/1025315998.db2.gz XXSWHECXXPVLOR-UHFFFAOYSA-N -1 0 341.379 3.691 20 0 EHADRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccccc2SC)n[nH]1 ZINC000436020134 1025320585 /nfs/dbraw/zinc/32/05/85/1025320585.db2.gz JERPMGDALPTBPX-LLVKDONJSA-N -1 0 339.486 3.836 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1csc2ccccc12)c1cccs1 ZINC000238169116 1033280372 /nfs/dbraw/zinc/28/03/72/1033280372.db2.gz NWLDFQYSVIDDMB-GFCCVEGCSA-N -1 0 331.418 3.909 20 0 EHADRM O=C(Nc1ccc(-c2csnn2)cc1)c1ccc(Cl)cc1[O-] ZINC000098105407 1025422450 /nfs/dbraw/zinc/42/24/50/1025422450.db2.gz RSCIIKVOHKMSTK-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM CC(C)(CC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)CC(F)(F)F ZINC000909487897 1025444840 /nfs/dbraw/zinc/44/48/40/1025444840.db2.gz NWCJDYSRBXGFLN-NSHDSACASA-N -1 0 337.382 3.705 20 0 EHADRM C[C@]1(C(=O)Nc2cccc(CCC(=O)[O-])c2)CCCc2ccccc21 ZINC000262381843 1025465090 /nfs/dbraw/zinc/46/50/90/1025465090.db2.gz KPJRDPKGSKPPLT-NRFANRHFSA-N -1 0 337.419 3.937 20 0 EHADRM C[C@H](CC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)c1ccc(F)cc1 ZINC000262385824 1025518283 /nfs/dbraw/zinc/51/82/83/1025518283.db2.gz MBMQUENVQXJNSQ-QCPWZWHMSA-N -1 0 333.403 3.564 20 0 EHADRM CCCOc1cccc(NC(=O)CCc2ccccc2C(=O)[O-])c1 ZINC000262069311 1025545424 /nfs/dbraw/zinc/54/54/24/1025545424.db2.gz AECSRGNPMPKVLS-UHFFFAOYSA-N -1 0 327.380 3.745 20 0 EHADRM O=C([O-])C1CCC(Nc2ncc(F)c(Oc3ccccc3F)n2)CC1 ZINC000530251865 1025560354 /nfs/dbraw/zinc/56/03/54/1025560354.db2.gz WNORTLHLPRPRMJ-UHFFFAOYSA-N -1 0 349.337 3.602 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000665302224 1025618621 /nfs/dbraw/zinc/61/86/21/1025618621.db2.gz OGHKHSQFOGTPJK-WFASDCNBSA-N -1 0 344.411 3.602 20 0 EHADRM CC[C@H](NC(=O)NC[C@@H](C(=O)[O-])C1CCC1)c1cccc(Cl)c1 ZINC000665301597 1025635409 /nfs/dbraw/zinc/63/54/09/1025635409.db2.gz BIQBJBDYBYTGJY-CABCVRRESA-N -1 0 338.835 3.591 20 0 EHADRM CC[C@@H](NC(=O)NC[C@@H](C(=O)[O-])C1CCC1)c1ccc(Cl)cc1 ZINC000665301930 1025642443 /nfs/dbraw/zinc/64/24/43/1025642443.db2.gz ILFILOYGVQLWQI-HUUCEWRRSA-N -1 0 338.835 3.591 20 0 EHADRM CC[N@H+](Cc1csc(-c2ccccn2)n1)C1CCC(C(=O)[O-])CC1 ZINC000515870064 1025695188 /nfs/dbraw/zinc/69/51/88/1025695188.db2.gz KDULHOARCSGYAU-UHFFFAOYSA-N -1 0 345.468 3.670 20 0 EHADRM CC[C@@H](NC(=O)NC[C@@H](C(=O)[O-])C1CCC1)c1ccc(Cl)s1 ZINC000665304703 1025716419 /nfs/dbraw/zinc/71/64/19/1025716419.db2.gz GBXIXUZOTVGGOA-GHMZBOCLSA-N -1 0 344.864 3.653 20 0 EHADRM CCCC[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000347253367 1025733208 /nfs/dbraw/zinc/73/32/08/1025733208.db2.gz AUNHDIWMRNMHEB-IHRRRGAJSA-N -1 0 343.345 3.569 20 0 EHADRM CCCC[C@H](NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000347258044 1025751128 /nfs/dbraw/zinc/75/11/28/1025751128.db2.gz JCPIGXFVFZYCFQ-RDBSUJKOSA-N -1 0 344.238 3.857 20 0 EHADRM CCCC[C@H](NC(=O)c1ccc(Sc2ccccn2)cc1)C(=O)[O-] ZINC000347259157 1025754648 /nfs/dbraw/zinc/75/46/48/1025754648.db2.gz KOEXBCFJQMIQOQ-HNNXBMFYSA-N -1 0 344.436 3.606 20 0 EHADRM CCCC[C@@H](NC(=O)C1(c2ccc(OC)cc2)CCCCC1)C(=O)[O-] ZINC000347260317 1025756356 /nfs/dbraw/zinc/75/63/56/1025756356.db2.gz MKMJTUWHSHSYPL-QGZVFWFLSA-N -1 0 347.455 3.657 20 0 EHADRM CCCC[C@H](NC(=O)c1csc(-c2ccc(C)cc2C)n1)C(=O)[O-] ZINC000347264196 1025779964 /nfs/dbraw/zinc/77/99/64/1025779964.db2.gz RCZHKIBKLQTDGK-AWEZNQCLSA-N -1 0 346.452 3.800 20 0 EHADRM C[C@H](NC(=O)NC[C@@H](C(=O)[O-])C1CCC1)c1cc2ccccc2s1 ZINC000665310182 1025822858 /nfs/dbraw/zinc/82/28/58/1025822858.db2.gz KIZNBDYHRPLZGJ-SMDDNHRTSA-N -1 0 346.452 3.762 20 0 EHADRM O=C(NCc1ccc(-c2ccccc2)o1)c1cc(F)c([O-])c(F)c1 ZINC000436521102 1025823182 /nfs/dbraw/zinc/82/31/82/1025823182.db2.gz BTLQWRKNIMZBIO-UHFFFAOYSA-N -1 0 329.302 3.860 20 0 EHADRM C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000436528598 1025834440 /nfs/dbraw/zinc/83/44/40/1025834440.db2.gz XSKAARQHBFFHGW-MRVPVSSYSA-N -1 0 339.288 3.708 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CC(C)(C)O1 ZINC000436550206 1025854332 /nfs/dbraw/zinc/85/43/32/1025854332.db2.gz WZUYVLNLWLYZJP-NSHDSACASA-N -1 0 333.815 3.838 20 0 EHADRM Cc1ccc2cccc(C(=O)N[C@@H](CC(=O)[O-])c3ccccc3C)c2n1 ZINC000191109129 1025863259 /nfs/dbraw/zinc/86/32/59/1025863259.db2.gz JSVIAMRBKQGCMB-SFHVURJKSA-N -1 0 348.402 3.797 20 0 EHADRM CC[C@H](NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000324450571 1025887315 /nfs/dbraw/zinc/88/73/15/1025887315.db2.gz VLYRBZGNPAYBSC-PXNSSMCTSA-N -1 0 325.408 3.687 20 0 EHADRM COc1cc(N=c2[n-]nc(-c3ccccn3)s2)ccc1OC(C)C ZINC000522028408 1025895257 /nfs/dbraw/zinc/89/52/57/1025895257.db2.gz OYTHTAZGNXHMPI-UHFFFAOYSA-N -1 0 342.424 3.561 20 0 EHADRM Cc1nc(-c2ccc(C)c(NC(=O)c3ccc(Cl)cc3[O-])c2)n[nH]1 ZINC000436579026 1025920288 /nfs/dbraw/zinc/92/02/88/1025920288.db2.gz TYMLMCLFWCXOJK-UHFFFAOYSA-N -1 0 342.786 3.700 20 0 EHADRM O=C(Nc1scnc1C1CC1)c1ccc(Br)cc1[O-] ZINC000436600833 1025932379 /nfs/dbraw/zinc/93/23/79/1025932379.db2.gz GFFNBVNRFFWCKF-UHFFFAOYSA-N -1 0 339.214 3.741 20 0 EHADRM COCCn1ccc2ccc(NC(=O)c3ccc([O-])c(Cl)c3)cc21 ZINC000092773424 1025960844 /nfs/dbraw/zinc/96/08/44/1025960844.db2.gz YTRYVWSKQCSTEJ-UHFFFAOYSA-N -1 0 344.798 3.899 20 0 EHADRM CN(C(=O)c1ccc([O-])c(Cl)c1)[C@H]1CCCN(c2ccccc2)C1 ZINC000436637156 1025967863 /nfs/dbraw/zinc/96/78/63/1025967863.db2.gz ZDJFQPMAXZOGEI-INIZCTEOSA-N -1 0 344.842 3.787 20 0 EHADRM Cc1ccc(NC(=O)c2cc(F)cc(Br)c2[O-])cc1O ZINC000436638357 1025968908 /nfs/dbraw/zinc/96/89/08/1025968908.db2.gz DAGIVTJWJTYOPC-UHFFFAOYSA-N -1 0 340.148 3.560 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CCn2ccc3ccccc32)c1 ZINC000436651935 1025978877 /nfs/dbraw/zinc/97/88/77/1025978877.db2.gz IZWOMPLJWMNSSI-UHFFFAOYSA-N -1 0 336.391 3.968 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H]2CCC(=O)c3ccccc32)c1 ZINC000436653547 1025984167 /nfs/dbraw/zinc/98/41/67/1025984167.db2.gz AUPXGPDRZCYSIB-HNNXBMFYSA-N -1 0 337.375 3.684 20 0 EHADRM O=C(N[C@@H]1CCO[C@H](C2CC2)C1)c1cc(Cl)c2ccccc2c1[O-] ZINC000436657071 1025985765 /nfs/dbraw/zinc/98/57/65/1025985765.db2.gz OZDPKJRISOWCME-PXAZEXFGSA-N -1 0 345.826 3.886 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(=O)[nH]c(CC(C)C)c2)c1 ZINC000436642822 1025987783 /nfs/dbraw/zinc/98/77/83/1025987783.db2.gz CGAJQAWRFZZBCF-UHFFFAOYSA-N -1 0 342.395 3.536 20 0 EHADRM [O-]C(=Cc1c(F)cccc1Cl)Nc1nc(-c2ccccc2)ns1 ZINC000614689094 1025991266 /nfs/dbraw/zinc/99/12/66/1025991266.db2.gz XDPKQWKVHKBCLK-UHFFFAOYSA-N -1 0 347.802 3.601 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H](c2ccccc2)N(C)CC)c1 ZINC000436646333 1025995652 /nfs/dbraw/zinc/99/56/52/1025995652.db2.gz OBRBFEFPFCNAIN-LJQANCHMSA-N -1 0 340.423 3.616 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H](C)n2cnc3ccccc32)c1 ZINC000436646779 1025995923 /nfs/dbraw/zinc/99/59/23/1025995923.db2.gz PCPZGUXJKBMLCA-LBPRGKRZSA-N -1 0 337.379 3.534 20 0 EHADRM CCN(C(=O)c1c([O-])cccc1F)c1cccc(Br)c1 ZINC000436666677 1026004916 /nfs/dbraw/zinc/00/49/16/1026004916.db2.gz VEKCMRQVJKJPIW-UHFFFAOYSA-N -1 0 338.176 3.961 20 0 EHADRM O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1c(O)cccc1O ZINC000436669549 1026009955 /nfs/dbraw/zinc/00/99/55/1026009955.db2.gz AKNUJEOXBSRZGB-UHFFFAOYSA-N -1 0 341.363 3.782 20 0 EHADRM Cc1cc(C(=O)Nc2cc(Br)cc(Cl)c2[O-])co1 ZINC000444288733 1026014541 /nfs/dbraw/zinc/01/45/41/1026014541.db2.gz LYAJJWXUHMGCHV-UHFFFAOYSA-N -1 0 330.565 3.962 20 0 EHADRM O=C([O-])c1cnc(-c2ccccc2)nc1/C=C/C=C/c1ccncc1 ZINC000443443877 1026045706 /nfs/dbraw/zinc/04/57/06/1026045706.db2.gz NSQFRINLXJCFDK-REZHQCRGSA-N -1 0 329.359 3.963 20 0 EHADRM O=c1[n-]c([C@@H]2CCCCN2Cc2c(Cl)cccc2Cl)n[nH]1 ZINC000329597261 1026047203 /nfs/dbraw/zinc/04/72/03/1026047203.db2.gz PJDHNCVFIFBEPU-LBPRGKRZSA-N -1 0 327.215 3.544 20 0 EHADRM Cc1nc(C2CCC2)sc1CC(=O)Nc1ccc(F)c(F)c1[O-] ZINC000909569195 1026051129 /nfs/dbraw/zinc/05/11/29/1026051129.db2.gz MCOSONFIFLVPGT-UHFFFAOYSA-N -1 0 338.379 3.884 20 0 EHADRM O=S(=O)([N-]c1cccc2ccsc21)c1ccc2c(c1)CCO2 ZINC000443452519 1026056208 /nfs/dbraw/zinc/05/62/08/1026056208.db2.gz JJMKYDMHVHRGSU-UHFFFAOYSA-N -1 0 331.418 3.637 20 0 EHADRM O=C([O-])c1ccnc(/C=C\c2cc(Cl)c3c(c2)OCCCO3)c1 ZINC000559941293 1026070363 /nfs/dbraw/zinc/07/03/63/1026070363.db2.gz VSTGZVYGFJXYBX-IHWYPQMZSA-N -1 0 331.755 3.765 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N=c3nc(-c4ccccc4)[n-]s3)cc2c1 ZINC000516173765 1026090099 /nfs/dbraw/zinc/09/00/99/1026090099.db2.gz BADMGNYIAUTDEO-UHFFFAOYSA-N -1 0 334.404 3.669 20 0 EHADRM O=C(Nc1csc(-c2ccncc2)n1)c1ccc(Cl)cc1[O-] ZINC000436727677 1026116764 /nfs/dbraw/zinc/11/67/64/1026116764.db2.gz BKSBHDVNRDYTKF-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM O=C([O-])[C@H]1CCCN1C(=O)CC1(CCc2ccccc2)CCCC1 ZINC000342531703 1026138172 /nfs/dbraw/zinc/13/81/72/1026138172.db2.gz TVZMXILAFWCTGE-QGZVFWFLSA-N -1 0 329.440 3.645 20 0 EHADRM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C(F)(F)F)cc2O)C1(C)C ZINC000436751699 1026139344 /nfs/dbraw/zinc/13/93/44/1026139344.db2.gz NAUKBQINELUICU-ZIAGYGMSSA-N -1 0 345.361 3.687 20 0 EHADRM CNC(=O)c1cnc(/C=C\c2cc(Cl)c([O-])cc2Cl)s1 ZINC000436772366 1026150124 /nfs/dbraw/zinc/15/01/24/1026150124.db2.gz LCKZGCFAFPJCFV-IHWYPQMZSA-N -1 0 329.208 3.686 20 0 EHADRM CCc1cc(CNC(=O)c2cc(Cl)c3ccccc3c2[O-])on1 ZINC000530712804 1026223076 /nfs/dbraw/zinc/22/30/76/1026223076.db2.gz ZHKDQNLODRYJLP-UHFFFAOYSA-N -1 0 330.771 3.679 20 0 EHADRM CCN(C(=O)N[C@H](CC(=O)[O-])c1cccc(C(F)(F)F)c1)C(C)C ZINC000277593861 1026235233 /nfs/dbraw/zinc/23/52/33/1026235233.db2.gz WBBBZXBDNJEBOZ-CYBMUJFWSA-N -1 0 346.349 3.661 20 0 EHADRM COc1ccc(C)cc1NC(=O)c1ccc(C(F)(F)F)c(O)c1 ZINC000684869753 1026241901 /nfs/dbraw/zinc/24/19/01/1026241901.db2.gz ZUHBWBBGUKECGG-UHFFFAOYSA-N -1 0 325.286 3.980 20 0 EHADRM O=C(C[C@@H](c1ncc[nH]1)c1ccccc1)Nc1cccc(Cl)c1[O-] ZINC000342556515 1026267339 /nfs/dbraw/zinc/26/73/39/1026267339.db2.gz MFXKUKMYKRSEKZ-CYBMUJFWSA-N -1 0 341.798 3.929 20 0 EHADRM O=C(c1ccc(C(F)(F)F)c(O)c1)N1CCCc2cccc(O)c21 ZINC000684876913 1026300428 /nfs/dbraw/zinc/30/04/28/1026300428.db2.gz DVKCCSHRXWMPSL-UHFFFAOYSA-N -1 0 337.297 3.710 20 0 EHADRM CCC(CC)(NC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000342566091 1026310610 /nfs/dbraw/zinc/31/06/10/1026310610.db2.gz LFZOSTIWYNGIJV-VIFPVBQESA-N -1 0 348.226 3.520 20 0 EHADRM C[C@H](CN(C)C(=O)c1cccc(C(F)(F)F)c1[O-])c1nccs1 ZINC000582496827 1026424512 /nfs/dbraw/zinc/42/45/12/1026424512.db2.gz NZEYFPAJVFDANH-SECBINFHSA-N -1 0 344.358 3.743 20 0 EHADRM Cc1cccc(C)c1CC(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000192851846 1026445008 /nfs/dbraw/zinc/44/50/08/1026445008.db2.gz USGLJEFAPWQFIS-KRWDZBQOSA-N -1 0 339.435 3.595 20 0 EHADRM CCN(CC(C)C)C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000530987338 1026445752 /nfs/dbraw/zinc/44/57/52/1026445752.db2.gz MSCNEXIFGJFKEO-UHFFFAOYSA-N -1 0 329.444 3.819 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CC=C(C(F)(F)F)CC1 ZINC000563384164 1026516437 /nfs/dbraw/zinc/51/64/37/1026516437.db2.gz CZZWVTDADBVWHW-UHFFFAOYSA-N -1 0 339.235 3.746 20 0 EHADRM O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc([O-])c(Cl)c1 ZINC000031263832 1026592863 /nfs/dbraw/zinc/59/28/63/1026592863.db2.gz BFLWKNYSOUYYLD-OAHLLOKOSA-N -1 0 347.798 3.856 20 0 EHADRM CC(C)(CC(=O)N1C[C@H](C(=O)[O-])c2ccccc21)CC(F)(F)F ZINC000909582235 1026701457 /nfs/dbraw/zinc/70/14/57/1026701457.db2.gz UXKVCYLHXOXPSF-NSHDSACASA-N -1 0 329.318 3.570 20 0 EHADRM CC[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cccc(C)c1Cl ZINC000835277471 1026822642 /nfs/dbraw/zinc/82/26/42/1026822642.db2.gz UVGCFGYCKYFPGP-GFCCVEGCSA-N -1 0 331.865 3.526 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)Nc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000582643245 1026847982 /nfs/dbraw/zinc/84/79/82/1026847982.db2.gz AGEVKZMNSMJDCT-GFCCVEGCSA-N -1 0 331.199 3.853 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)c1cc(F)c(Cl)cc1Cl)C(=O)[O-] ZINC000400463253 1026889222 /nfs/dbraw/zinc/88/92/22/1026889222.db2.gz UCCGCVMGFUFSIP-JVXZTZIISA-N -1 0 336.190 3.752 20 0 EHADRM C[C@H](C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000564977542 1026906153 /nfs/dbraw/zinc/90/61/53/1026906153.db2.gz GAIYNFCMEHXVSX-SCVCMEIPSA-N -1 0 344.238 3.666 20 0 EHADRM CCCC[C@@H](Sc1nnc(-c2ccc(OC)cc2)s1)C(=O)[O-] ZINC000563432707 1026928573 /nfs/dbraw/zinc/92/85/73/1026928573.db2.gz NUWOAWFYFGLFTC-GFCCVEGCSA-N -1 0 338.454 3.949 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2cc(C)sc2C)cc1C ZINC000342781936 1027025115 /nfs/dbraw/zinc/02/51/15/1027025115.db2.gz OLQRYIFUFKGCON-VIFPVBQESA-N -1 0 327.475 3.642 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cccc3cccnc32)cc1C ZINC000342788597 1027059267 /nfs/dbraw/zinc/05/92/67/1027059267.db2.gz ZHPKRQVWXVFFGV-GFCCVEGCSA-N -1 0 344.440 3.512 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1)CO2 ZINC000531654633 1027160655 /nfs/dbraw/zinc/16/06/55/1027160655.db2.gz DMTAPOVZWCYVCE-OXJNMPFZSA-N -1 0 345.439 3.606 20 0 EHADRM Cc1onc(-c2ccncc2)c1C(=O)Nc1cc(-c2ccccc2)on1 ZINC000127753509 1027349016 /nfs/dbraw/zinc/34/90/16/1027349016.db2.gz OSOHJGGLWZILPP-UHFFFAOYSA-N -1 0 346.346 3.952 20 0 EHADRM Cc1ccc2cccc(S(=O)(=O)[N-]c3cccc4ccncc43)c2n1 ZINC000531781209 1027369310 /nfs/dbraw/zinc/36/93/10/1027369310.db2.gz HRWQGBMHWAEFAM-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM CCOCC1(C(=O)Nc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000282034815 1027466849 /nfs/dbraw/zinc/46/68/49/1027466849.db2.gz UDDWXFQMOAQRIL-UHFFFAOYSA-N -1 0 348.624 3.563 20 0 EHADRM Cc1ccc(NC(=S)[N-]c2ccccc2SCC(N)=O)cc1C ZINC000018164787 1027592997 /nfs/dbraw/zinc/59/29/97/1027592997.db2.gz ADXIUKFRFPMAAG-UHFFFAOYSA-N -1 0 345.493 3.690 20 0 EHADRM CCCC(=O)Nc1ccc(CN=c2nc(C3CCCC3)[n-]s2)cc1 ZINC000420582004 1027628572 /nfs/dbraw/zinc/62/85/72/1027628572.db2.gz GQWIJGFMALSPHS-UHFFFAOYSA-N -1 0 344.484 3.968 20 0 EHADRM C[C@@H](CC(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000237518252 1027644216 /nfs/dbraw/zinc/64/42/16/1027644216.db2.gz WNXQOJVTUWVWPF-LEWSCRJBSA-N -1 0 343.345 3.569 20 0 EHADRM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)CC1(C(=O)[O-])CCC1 ZINC000262531530 1027755552 /nfs/dbraw/zinc/75/55/52/1027755552.db2.gz PRQXEZBYHZGAQP-CHWSQXEVSA-N -1 0 337.847 3.935 20 0 EHADRM Cc1cc(=NC(=O)N[C@H](C)c2ccc(SC(C)C)cc2)[n-]nc1C ZINC000467485688 1027831740 /nfs/dbraw/zinc/83/17/40/1027831740.db2.gz OORIATDGESBACK-CQSZACIVSA-N -1 0 344.484 3.899 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)NC2(c3ccccc3)CCC2)cc1C ZINC000132305358 1027908509 /nfs/dbraw/zinc/90/85/09/1027908509.db2.gz RNBSAMZOPQQVKB-DEOSSOPVSA-N -1 0 341.476 3.607 20 0 EHADRM CSCC(C)(C)C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000503582762 1027942765 /nfs/dbraw/zinc/94/27/65/1027942765.db2.gz GPFWQCWQMMFJPK-UHFFFAOYSA-N -1 0 341.889 3.608 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C(C)(C)Oc1ccc(F)cc1 ZINC000262549167 1027950276 /nfs/dbraw/zinc/95/02/76/1027950276.db2.gz SSCJQXJIMCUINP-UHFFFAOYSA-N -1 0 345.370 3.937 20 0 EHADRM CCC(CC)(CC(=O)Nc1ccc(SC)cc1OC)C(=O)[O-] ZINC000277932130 1027985030 /nfs/dbraw/zinc/98/50/30/1027985030.db2.gz FXGSWQNMEICEAQ-UHFFFAOYSA-N -1 0 325.430 3.637 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)c1cccc(OC2CCCCC2)c1 ZINC000523165836 1028000146 /nfs/dbraw/zinc/00/01/46/1028000146.db2.gz BOZHKMUTXVFUDY-UHFFFAOYSA-N -1 0 337.423 3.740 20 0 EHADRM CC(C)Oc1ccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)cn1 ZINC000780377338 1028050523 /nfs/dbraw/zinc/05/05/23/1028050523.db2.gz MRLRJPFTYAOOHE-UHFFFAOYSA-N -1 0 342.367 3.607 20 0 EHADRM COc1cc(/C=C(/CC(=O)[O-])c2nc3ccccc3o2)cc(OC)c1 ZINC000502321250 1028097124 /nfs/dbraw/zinc/09/71/24/1028097124.db2.gz PTBHNHMYXIGYNU-QPEQYQDCSA-N -1 0 339.347 3.860 20 0 EHADRM CCCc1nc(=NC(=O)N2CCC[C@H]2c2ccc(F)cc2C)s[n-]1 ZINC000455386487 1028129211 /nfs/dbraw/zinc/12/92/11/1028129211.db2.gz XKNKXOJUXVFOAF-AWEZNQCLSA-N -1 0 348.447 3.729 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)NCC2CCC(F)(F)CC2)s1 ZINC000503798050 1028143239 /nfs/dbraw/zinc/14/32/39/1028143239.db2.gz UMAMRXHRAAMQRI-UHFFFAOYSA-N -1 0 346.447 3.640 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)nn1C(C)C ZINC000421175762 1028154777 /nfs/dbraw/zinc/15/47/77/1028154777.db2.gz QKRRXXNSALRXAW-UHFFFAOYSA-N -1 0 347.362 3.592 20 0 EHADRM COc1nc(Nc2cc(Cl)cc(C(=O)[O-])c2)cc2cccnc21 ZINC001211958505 1028169416 /nfs/dbraw/zinc/16/94/16/1028169416.db2.gz URRUMUYCIQTYNM-UHFFFAOYSA-N -1 0 329.743 3.734 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccnc2OC(C)C)c(Cl)c1 ZINC000614843418 1028170280 /nfs/dbraw/zinc/17/02/80/1028170280.db2.gz MURHGZTWJRAGDD-UHFFFAOYSA-N -1 0 340.832 3.631 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2-n2cccn2)c1 ZINC000614842975 1028173277 /nfs/dbraw/zinc/17/32/77/1028173277.db2.gz UJEVHIRHLFSBBY-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM CC(C)COc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000614863625 1028360285 /nfs/dbraw/zinc/36/02/85/1028360285.db2.gz LYXLNAOWKASIED-UHFFFAOYSA-N -1 0 341.379 3.800 20 0 EHADRM Cc1cc(C)cc([C@@H](C)NC(=O)N=c2[n-]nc(-c3ccco3)s2)c1 ZINC000504069616 1028379652 /nfs/dbraw/zinc/37/96/52/1028379652.db2.gz NXYMDJJGRZKOII-GFCCVEGCSA-N -1 0 342.424 3.720 20 0 EHADRM COC(=O)/C=C/c1ccc(Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC001211969396 1028427904 /nfs/dbraw/zinc/42/79/04/1028427904.db2.gz HMZHPUHLMIJOIC-QPJJXVBHSA-N -1 0 331.755 3.968 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N[C@H]2CCC[C@@H]2c2ccccc2)s1 ZINC000523586953 1028454311 /nfs/dbraw/zinc/45/43/11/1028454311.db2.gz DJZPIZRLGJNOQN-CABCVRRESA-N -1 0 344.484 3.760 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)s1 ZINC000523585461 1028454400 /nfs/dbraw/zinc/45/44/00/1028454400.db2.gz JZGBLJUFUHTGAX-CHWSQXEVSA-N -1 0 348.497 3.530 20 0 EHADRM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(Cl)cc1O ZINC000513812742 1028493637 /nfs/dbraw/zinc/49/36/37/1028493637.db2.gz QPDVODRBIJNNBX-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM CC(C)C[C@H](NC(=O)C[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000236596502 1028551911 /nfs/dbraw/zinc/55/19/11/1028551911.db2.gz WWWSJQIGCUYMKP-FZMZJTMJSA-N -1 0 345.361 3.815 20 0 EHADRM O=C(/C=C/c1ccc(C(=O)[O-])cc1)Nc1cccc(-c2cnco2)c1 ZINC000195178251 1028586741 /nfs/dbraw/zinc/58/67/41/1028586741.db2.gz MXLDQBFWCUPKPB-RMKNXTFCSA-N -1 0 334.331 3.692 20 0 EHADRM CCC[C@](C)(NC(=O)c1ccc(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC000236842166 1028590224 /nfs/dbraw/zinc/59/02/24/1028590224.db2.gz ZOFSCMMWBFIWFX-KRWDZBQOSA-N -1 0 335.400 3.927 20 0 EHADRM CCn1cc(CC(=O)Nc2ccc(C)c(C(=O)[O-])c2)c2ccccc21 ZINC000236947808 1028604364 /nfs/dbraw/zinc/60/43/64/1028604364.db2.gz KAPSIMJFYKTJCG-UHFFFAOYSA-N -1 0 336.391 3.849 20 0 EHADRM CCCC[C@@H](NC(=O)Nc1ccc(COC2CCCC2)cc1)C(=O)[O-] ZINC000583043528 1028635553 /nfs/dbraw/zinc/63/55/53/1028635553.db2.gz GGYLJOGQCTUURK-QGZVFWFLSA-N -1 0 348.443 3.911 20 0 EHADRM Cc1ccccc1C[C@@H](C)N(C)C(=O)N=c1[n-]nc(C(C)(C)C)s1 ZINC000445239540 1028647063 /nfs/dbraw/zinc/64/70/63/1028647063.db2.gz LHTMFFKAUMDTRI-CYBMUJFWSA-N -1 0 346.500 3.661 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cccc(-n2cccc2)c1)c1ccccc1 ZINC000237539207 1028652946 /nfs/dbraw/zinc/65/29/46/1028652946.db2.gz QUMPYCGQRVWMDI-HNAYVOBHSA-N -1 0 348.402 3.669 20 0 EHADRM Cc1nc([C@H](C)NC(=O)C/C=C/c2ccc(F)cc2)sc1C(=O)[O-] ZINC000237543998 1028653058 /nfs/dbraw/zinc/65/30/58/1028653058.db2.gz CBYIRCROOOTIHE-UFFNRZRYSA-N -1 0 348.399 3.570 20 0 EHADRM Cc1nc([C@H](C)NC(=O)C/C=C/c2cccc(F)c2)sc1C(=O)[O-] ZINC000237544063 1028654106 /nfs/dbraw/zinc/65/41/06/1028654106.db2.gz GFCJKJTZDHXOEI-MALLOTDXSA-N -1 0 348.399 3.570 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2CCOc3ccc(Cl)cc32)cc1C(=O)[O-] ZINC000431520716 1028665072 /nfs/dbraw/zinc/66/50/72/1028665072.db2.gz PWVQDMHSHRULOT-CYBMUJFWSA-N -1 0 345.782 3.851 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)c3ccc(C(=O)[O-])o3)c2)oc1C ZINC000237824933 1028667526 /nfs/dbraw/zinc/66/75/26/1028667526.db2.gz DHPSILMFDIKGEY-UHFFFAOYSA-N -1 0 326.308 3.502 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2)cc1 ZINC000237972061 1028670670 /nfs/dbraw/zinc/67/06/70/1028670670.db2.gz XPXKTBGETXKFKJ-UHFFFAOYSA-N -1 0 335.359 3.820 20 0 EHADRM CCOC(=O)c1sc(Nc2ccc(O)c(F)c2F)nc1C1CC1 ZINC001212007698 1028677666 /nfs/dbraw/zinc/67/76/66/1028677666.db2.gz YEHWGZXESAAWJU-UHFFFAOYSA-N -1 0 340.351 3.925 20 0 EHADRM CC(C)S(=O)(=O)c1ccccc1Nc1ccc(O)c(F)c1F ZINC001212007719 1028677767 /nfs/dbraw/zinc/67/77/67/1028677767.db2.gz ZOMQLOULOXFWQS-UHFFFAOYSA-N -1 0 327.352 3.596 20 0 EHADRM CCN(Cc1ccc(C)cc1)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000523926738 1028719145 /nfs/dbraw/zinc/71/91/45/1028719145.db2.gz YLQVEWNOMWPZPI-UHFFFAOYSA-N -1 0 332.473 3.620 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)c2ccc(C)cc2Cl)n1 ZINC000504541038 1028721958 /nfs/dbraw/zinc/72/19/58/1028721958.db2.gz FORWHHZUDXBQNU-UHFFFAOYSA-N -1 0 330.862 3.858 20 0 EHADRM Cc1n[n-]c(=NC(=O)N2CCCC[C@H]2CCCc2ccccc2)s1 ZINC000502823061 1028728496 /nfs/dbraw/zinc/72/84/96/1028728496.db2.gz DSZHCMDNWMHYEA-INIZCTEOSA-N -1 0 344.484 3.678 20 0 EHADRM O=C([O-])c1cc(F)c(F)cc1C(=O)NC[C@@H](c1ccccc1)C1CC1 ZINC000634837441 1028824856 /nfs/dbraw/zinc/82/48/56/1028824856.db2.gz GNRGSSVDTIGXBD-HNNXBMFYSA-N -1 0 345.345 3.587 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)C(F)(F)F)c1Cl ZINC000424216468 1028908642 /nfs/dbraw/zinc/90/86/42/1028908642.db2.gz SUXAOKDHXZYVPB-ZCFIWIBFSA-N -1 0 336.162 3.531 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000424254790 1028913357 /nfs/dbraw/zinc/91/33/57/1028913357.db2.gz TWEZWXKKMSPYFQ-FUHWJXTLSA-N -1 0 331.456 3.810 20 0 EHADRM COc1ccccc1-c1nc(CN2CCC[C@@H](C)[C@@H]2C(=O)[O-])cs1 ZINC000424267574 1028923091 /nfs/dbraw/zinc/92/30/91/1028923091.db2.gz KIWZLYZWHRJAEI-MLGOLLRUSA-N -1 0 346.452 3.504 20 0 EHADRM C[C@@H]1CCCN(Cc2csc(CCc3ccccc3)n2)[C@@H]1C(=O)[O-] ZINC000424270440 1028941752 /nfs/dbraw/zinc/94/17/52/1028941752.db2.gz NLBKCKLKVVZVEN-KDOFPFPSSA-N -1 0 344.480 3.613 20 0 EHADRM CCC(CC)(CC(=O)N[C@@H](C)c1cccc(N2CCCC2)c1)C(=O)[O-] ZINC000445640599 1029023887 /nfs/dbraw/zinc/02/38/87/1029023887.db2.gz ANQTWLNIJRBVBL-HNNXBMFYSA-N -1 0 346.471 3.745 20 0 EHADRM CN(C(=O)c1cc(F)cc(Cl)c1[O-])C1CC(OC(C)(C)C)C1 ZINC000422017870 1029024796 /nfs/dbraw/zinc/02/47/96/1029024796.db2.gz SPAHCIOBFNRQSL-UHFFFAOYSA-N -1 0 329.799 3.603 20 0 EHADRM CC(C)C[C@H](CNC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)C(=O)[O-] ZINC000424424653 1029048173 /nfs/dbraw/zinc/04/81/73/1029048173.db2.gz PGMBPYZVHPEMDV-DZGCQCFKSA-N -1 0 346.427 3.882 20 0 EHADRM CCC(CC)(CNC(=O)N[C@H]1CCc2sc(Cl)cc21)C(=O)[O-] ZINC000424400788 1029049356 /nfs/dbraw/zinc/04/93/56/1029049356.db2.gz VPFZMQHAHXKMNX-JTQLQIEISA-N -1 0 344.864 3.579 20 0 EHADRM CC(C)(CCNC(=O)N1CCCC[C@@H]1CCc1ccccc1)C(=O)[O-] ZINC000424408113 1029052275 /nfs/dbraw/zinc/05/22/75/1029052275.db2.gz UXEUBPLEMYQNAB-QGZVFWFLSA-N -1 0 346.471 3.684 20 0 EHADRM CC(C)(CCNC(=O)N(CCc1ccccc1)C1CCCC1)C(=O)[O-] ZINC000424408513 1029053295 /nfs/dbraw/zinc/05/32/95/1029053295.db2.gz VNDUFVVZAIYCLI-UHFFFAOYSA-N -1 0 346.471 3.684 20 0 EHADRM O=C(c1cc(-c2ccccc2)cc(Cl)c1[O-])N1CC[C@]12CCOC2 ZINC000422064689 1029054292 /nfs/dbraw/zinc/05/42/92/1029054292.db2.gz FNGAGDSSQWBWFY-LJQANCHMSA-N -1 0 343.810 3.718 20 0 EHADRM CCCCOc1ccccc1[N-]S(=O)(=O)c1ccc(OC)cc1C ZINC000614888223 1029056075 /nfs/dbraw/zinc/05/60/75/1029056075.db2.gz CMROYZRXTAQGPV-UHFFFAOYSA-N -1 0 349.452 3.983 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccnn2CC(C)C)cc1 ZINC000524298109 1029060217 /nfs/dbraw/zinc/06/02/17/1029060217.db2.gz QSBQDPPJCQQJGU-AWEZNQCLSA-N -1 0 335.473 3.853 20 0 EHADRM C[C@H](CC1CCCC1)C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000237365875 1029075989 /nfs/dbraw/zinc/07/59/89/1029075989.db2.gz PLCDDBJBOVYPNO-OAHLLOKOSA-N -1 0 347.455 3.763 20 0 EHADRM Cc1ccc(OCc2nc(CC(=O)[N-]OC3CCCC3)cs2)cc1 ZINC000271758254 1029157293 /nfs/dbraw/zinc/15/72/93/1029157293.db2.gz LYCPQAXTSXKENH-UHFFFAOYSA-N -1 0 346.452 3.563 20 0 EHADRM Cc1oc(-c2ccccc2)c(C(=O)N=c2ccc(C3CC3)n[n-]2)c1C ZINC000445827526 1029165793 /nfs/dbraw/zinc/16/57/93/1029165793.db2.gz PJCMXAOZZKXPAH-UHFFFAOYSA-N -1 0 333.391 3.905 20 0 EHADRM CC(C)c1ccc(OCC(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000236673871 1029187448 /nfs/dbraw/zinc/18/74/48/1029187448.db2.gz BEUPZKPMYKUIIN-OAHLLOKOSA-N -1 0 347.436 3.583 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)c(C(=O)[O-])c1 ZINC000544406932 1029205345 /nfs/dbraw/zinc/20/53/45/1029205345.db2.gz UGYLGUDWLGKKTN-QWHCGFSZSA-N -1 0 331.318 3.714 20 0 EHADRM CCc1ncsc1[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000161969905 1029325251 /nfs/dbraw/zinc/32/52/51/1029325251.db2.gz NHKAKVBMHFKBQU-UHFFFAOYSA-N -1 0 334.825 3.607 20 0 EHADRM FC(F)(F)c1n[n-]c(=NCc2cc(Cl)ccc2OCC2CC2)o1 ZINC000357715475 1029362086 /nfs/dbraw/zinc/36/20/86/1029362086.db2.gz XHYYAMKIQKSKGP-UHFFFAOYSA-N -1 0 347.724 3.565 20 0 EHADRM O=c1[n-]c(SCc2ccc(Oc3ccccc3F)c(F)c2)n[nH]1 ZINC000446073820 1029390258 /nfs/dbraw/zinc/39/02/58/1029390258.db2.gz ZNXCBGMMLNWCQY-UHFFFAOYSA-N -1 0 335.335 3.873 20 0 EHADRM O=C([O-])c1ccc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)c(Cl)c1 ZINC000446149026 1029436974 /nfs/dbraw/zinc/43/69/74/1029436974.db2.gz HSWKEPMJXZZJQX-UHFFFAOYSA-N -1 0 341.676 3.995 20 0 EHADRM C[C@H](CC(=O)NOCCC(F)(F)F)C(=O)c1ccc(Cl)cc1 ZINC000162786831 1029440848 /nfs/dbraw/zinc/44/08/48/1029440848.db2.gz ZZRKHIDYKNWIKZ-SECBINFHSA-N -1 0 337.725 3.549 20 0 EHADRM CC(=O)Nc1c(C)ccc(NC(=O)c2ccc(Cl)cc2[O-])c1C ZINC000615076026 1029462354 /nfs/dbraw/zinc/46/23/54/1029462354.db2.gz KVTOZOXRMZIPBW-UHFFFAOYSA-N -1 0 332.787 3.873 20 0 EHADRM Cc1ncc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c(C2CC2)n1 ZINC000533218299 1029482086 /nfs/dbraw/zinc/48/20/86/1029482086.db2.gz YNTGKMNZQIMLCX-UHFFFAOYSA-N -1 0 331.441 3.587 20 0 EHADRM O=C([O-])CN(Cc1ccccc1)C(=O)CSc1ccccc1Cl ZINC000347382465 1029495708 /nfs/dbraw/zinc/49/57/08/1029495708.db2.gz WLAYGCPUASLZLQ-UHFFFAOYSA-N -1 0 349.839 3.546 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000261963162 1029541190 /nfs/dbraw/zinc/54/11/90/1029541190.db2.gz AUPRNQINXMYEMZ-DOWQCCFLSA-N -1 0 333.453 3.643 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCCC[C@H]2C(C)C)n1 ZINC000434277670 1029548750 /nfs/dbraw/zinc/54/87/50/1029548750.db2.gz ZSYPGJVJNWXLND-HNNXBMFYSA-N -1 0 345.418 3.676 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000237471282 1029592389 /nfs/dbraw/zinc/59/23/89/1029592389.db2.gz LPONFDKRNSUGEX-ANYFNZRUSA-N -1 0 348.399 3.570 20 0 EHADRM C[C@H](NC(=O)CC1(C(=O)[O-])CCC1)c1cc(F)c(Cl)cc1Cl ZINC000262566770 1029606573 /nfs/dbraw/zinc/60/65/73/1029606573.db2.gz YBOGHNBBMLSSBU-QMMMGPOBSA-N -1 0 348.201 3.955 20 0 EHADRM Cc1c([C@H](C)N=c2[n-]c(C3CCC3)no2)cnn1-c1ccc(F)cc1 ZINC000583303537 1029610575 /nfs/dbraw/zinc/61/05/75/1029610575.db2.gz UPOSKQVHYDILJK-NSHDSACASA-N -1 0 341.390 3.565 20 0 EHADRM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000533307426 1029610848 /nfs/dbraw/zinc/61/08/48/1029610848.db2.gz WXUICGDSMHZCKB-CQSZACIVSA-N -1 0 336.439 3.609 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)CC(c1ccccc1)c1ccccc1)C1CC1 ZINC000262632623 1029618599 /nfs/dbraw/zinc/61/85/99/1029618599.db2.gz OSNYSNHWKUYAEY-OAHLLOKOSA-N -1 0 337.419 3.673 20 0 EHADRM CCC[C@H](Sc1n[n-]c(=NC2CCCCC2)s1)C(=O)OCC ZINC000524987616 1029637946 /nfs/dbraw/zinc/63/79/46/1029637946.db2.gz QVAFUUWGYNYJNI-LBPRGKRZSA-N -1 0 343.518 3.529 20 0 EHADRM COc1cc(NC(=O)C[C@H]2CCc3ccccc3C2)ccc1C(=O)[O-] ZINC000262827165 1029642269 /nfs/dbraw/zinc/64/22/69/1029642269.db2.gz AXJOOBSYDXIFFJ-ZDUSSCGKSA-N -1 0 339.391 3.527 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)CC1CCC(C(F)(F)F)CC1 ZINC000262854384 1029644941 /nfs/dbraw/zinc/64/49/41/1029644941.db2.gz CKMDNRGHRBHTHD-JXQTWKCFSA-N -1 0 349.393 3.991 20 0 EHADRM Cc1ccc(NC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cc1OC(C)C ZINC000262997355 1029655211 /nfs/dbraw/zinc/65/52/11/1029655211.db2.gz FNWNLADKXBFURF-IFXJQAMLSA-N -1 0 346.427 3.501 20 0 EHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)CCCOc1ccccc1Cl ZINC000263082706 1029664833 /nfs/dbraw/zinc/66/48/33/1029664833.db2.gz UYIBPPRVESDKNU-QGZVFWFLSA-N -1 0 341.835 3.505 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2ccnc3ccc(Br)cc32)C1 ZINC000263152111 1029669926 /nfs/dbraw/zinc/66/99/26/1029669926.db2.gz HOEXJVUEWATCPM-GHMZBOCLSA-N -1 0 349.228 3.544 20 0 EHADRM CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000263186867 1029671643 /nfs/dbraw/zinc/67/16/43/1029671643.db2.gz SDJMWCCWJXGPOO-KUHUBIRLSA-N -1 0 327.380 3.678 20 0 EHADRM Cc1c2cccc(Cl)c2oc1C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000263214529 1029673989 /nfs/dbraw/zinc/67/39/89/1029673989.db2.gz NVZPBXCHNWIYMP-MWLCHTKSSA-N -1 0 335.787 3.720 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1cc(-c2ccccc2)ccc1Cl ZINC000263212334 1029674365 /nfs/dbraw/zinc/67/43/65/1029674365.db2.gz PBOHLBSIBPRTGT-IUODEOHRSA-N -1 0 343.810 3.942 20 0 EHADRM CC(C)Oc1cccc(CC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c1 ZINC000263212451 1029674500 /nfs/dbraw/zinc/67/45/00/1029674500.db2.gz LQJIXEFLXCWRTC-AWEZNQCLSA-N -1 0 341.407 3.843 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2ccc(C3CCC3)cc2)cc1 ZINC000263255914 1029681007 /nfs/dbraw/zinc/68/10/07/1029681007.db2.gz IKZYWSPZRNILPR-UHFFFAOYSA-N -1 0 325.364 3.670 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])s1 ZINC000263256154 1029681430 /nfs/dbraw/zinc/68/14/30/1029681430.db2.gz UEWXBFZKBAPRRR-HNNXBMFYSA-N -1 0 331.437 3.577 20 0 EHADRM C/C=C/C[C@H](NC(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000263283609 1029683650 /nfs/dbraw/zinc/68/36/50/1029683650.db2.gz PBTIHNLQABIWBI-RDJPRVRMSA-N -1 0 343.345 3.735 20 0 EHADRM COc1ccc2sc(C(=O)N3C[C@@H](C(=O)[O-])CC[C@H]3C)c(C)c2c1 ZINC000263280465 1029683712 /nfs/dbraw/zinc/68/37/12/1029683712.db2.gz XFTUEBGMEJCLQT-PWSUYJOCSA-N -1 0 347.436 3.544 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)c1 ZINC000263330671 1029688707 /nfs/dbraw/zinc/68/87/07/1029688707.db2.gz PUNVYSYNHSCWGG-AMKSKSKJSA-N -1 0 345.345 3.895 20 0 EHADRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000263389809 1029693514 /nfs/dbraw/zinc/69/35/14/1029693514.db2.gz COJRPCPAFSXZJC-NYTXWWLZSA-N -1 0 335.831 3.593 20 0 EHADRM Cc1ccccc1N=c1[n-]nc([C@@H]2OCC[C@@H]2C)n1Cc1ccccc1 ZINC000583355136 1029695056 /nfs/dbraw/zinc/69/50/56/1029695056.db2.gz CCLORLKCTYWHOX-QFBILLFUSA-N -1 0 348.450 3.898 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(C(=O)N[C@H](C)[C@H](C)C(=O)[O-])cc1F ZINC000263459137 1029700699 /nfs/dbraw/zinc/70/06/99/1029700699.db2.gz POSSELJVBGUHKB-NWDGAFQWSA-N -1 0 347.361 3.779 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000263491395 1029703711 /nfs/dbraw/zinc/70/37/11/1029703711.db2.gz OWLRUPGVDKJJLN-JTQLQIEISA-N -1 0 326.824 3.649 20 0 EHADRM O=C([O-])CCCNC(=O)N1CCCCC[C@H]1/C=C/c1cccs1 ZINC000263496129 1029704631 /nfs/dbraw/zinc/70/46/31/1029704631.db2.gz SWAFNMCHOIYZBD-HBWSCVEGSA-N -1 0 336.457 3.580 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc(CC(F)(F)F)cc2)[C@@H](C(=O)[O-])C1 ZINC000583359669 1029708743 /nfs/dbraw/zinc/70/87/43/1029708743.db2.gz DFTZLQCWCIDWCZ-ZWNOBZJWSA-N -1 0 344.333 3.508 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N2CCC(c3ccc(Cl)cc3)CC2)C1 ZINC000263527608 1029709058 /nfs/dbraw/zinc/70/90/58/1029709058.db2.gz KTVBVUJKOVSCAM-HOTGVXAUSA-N -1 0 349.858 3.937 20 0 EHADRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000446625136 1029737726 /nfs/dbraw/zinc/73/77/26/1029737726.db2.gz RRSNOGMDZLMBPS-UHFFFAOYSA-N -1 0 337.466 3.835 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1nc(C(C)C)ncc1Cl ZINC000261633752 1029766860 /nfs/dbraw/zinc/76/68/60/1029766860.db2.gz CEFCSLCZERSRRU-UHFFFAOYSA-N -1 0 333.775 3.512 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2[nH]c3ccc(F)cc3c2Cl)cc1 ZINC000347402126 1029772519 /nfs/dbraw/zinc/77/25/19/1029772519.db2.gz NYYQLNPGPBJAEW-UHFFFAOYSA-N -1 0 332.718 3.911 20 0 EHADRM CCc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2C)cc1CC ZINC000533785312 1029825345 /nfs/dbraw/zinc/82/53/45/1029825345.db2.gz YSFXVNDKEHRMQR-UHFFFAOYSA-N -1 0 347.436 3.619 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N2CC[C@H](CC)C2)s1)c1ccccc1 ZINC000446844414 1029826213 /nfs/dbraw/zinc/82/62/13/1029826213.db2.gz GYRZKNDKIIVUJP-DZGCQCFKSA-N -1 0 344.484 3.766 20 0 EHADRM C[C@@H](Oc1cccc(Cl)c1)c1n[n-]c(=NCc2cccs2)o1 ZINC000446886295 1029846730 /nfs/dbraw/zinc/84/67/30/1029846730.db2.gz YJROGIPENGWCLR-SNVBAGLBSA-N -1 0 335.816 3.959 20 0 EHADRM COCc1cccc(CSc2n[n-]c(=NCc3ccco3)s2)c1 ZINC000446970851 1029875586 /nfs/dbraw/zinc/87/55/86/1029875586.db2.gz ARUVPHASNOEOBT-UHFFFAOYSA-N -1 0 347.465 3.604 20 0 EHADRM Cc1ccc(CN=c2[n-]nc([C@@H]3CCCc4ccccc43)s2)cn1 ZINC000583477545 1029883156 /nfs/dbraw/zinc/88/31/56/1029883156.db2.gz XUVMVFKXOQFWIQ-QGZVFWFLSA-N -1 0 336.464 3.744 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2F)ccc1OC(C)C ZINC000525535645 1029883698 /nfs/dbraw/zinc/88/36/98/1029883698.db2.gz IVQFYBXWYAXUCX-UHFFFAOYSA-N -1 0 341.379 3.861 20 0 EHADRM C[C@H](Cc1ccc2ccccc2n1)Sc1n[n-]c(=NC2CC2)s1 ZINC000481734170 1029894063 /nfs/dbraw/zinc/89/40/63/1029894063.db2.gz JUOREOTWMGDYJZ-LLVKDONJSA-N -1 0 342.493 3.806 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000120247753 1029962572 /nfs/dbraw/zinc/96/25/72/1029962572.db2.gz XCVGWTWRPMJVGB-KBPBESRZSA-N -1 0 331.318 3.714 20 0 EHADRM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1cnc(C)nc1 ZINC000343260865 1029977905 /nfs/dbraw/zinc/97/79/05/1029977905.db2.gz MUYWIFLAUIGLTC-UHFFFAOYSA-N -1 0 333.457 3.500 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccc(C)c(OC(C)C)c1 ZINC000447261708 1030051534 /nfs/dbraw/zinc/05/15/34/1030051534.db2.gz AKKVPHOOHVXLIA-UHFFFAOYSA-N -1 0 325.455 3.953 20 0 EHADRM COc1cc(C)cc([N-]S(=O)(=O)c2cccc(Cl)c2F)c1C ZINC000447264448 1030052970 /nfs/dbraw/zinc/05/29/70/1030052970.db2.gz NJROOPJNVMIIQX-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(C)c(OC(C)C)c2)s1 ZINC000447263868 1030053456 /nfs/dbraw/zinc/05/34/56/1030053456.db2.gz KQPQHBVFBYJWJP-UHFFFAOYSA-N -1 0 340.470 3.656 20 0 EHADRM COc1cc(C)cc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1C ZINC000447269752 1030057422 /nfs/dbraw/zinc/05/74/22/1030057422.db2.gz CYUKDZYTHJGDEG-UHFFFAOYSA-N -1 0 345.342 3.530 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N3CC[C@H](C)[C@@H]3C)s2)c1 ZINC000481944252 1030125700 /nfs/dbraw/zinc/12/57/00/1030125700.db2.gz KBHYESXVRYPDJG-STQMWFEESA-N -1 0 330.457 3.506 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nc(C3CCC3)cs2)cnc1Cl ZINC000278317879 1030134444 /nfs/dbraw/zinc/13/44/44/1030134444.db2.gz FTTPORDSCSWWOQ-UHFFFAOYSA-N -1 0 343.861 3.568 20 0 EHADRM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000525835629 1030162756 /nfs/dbraw/zinc/16/27/56/1030162756.db2.gz YTUMUKQKRJBWPC-LLVKDONJSA-N -1 0 335.347 3.688 20 0 EHADRM Cc1cc(C(=O)N=c2[n-]nc(-c3cccc(Cl)c3)s2)oc1C ZINC000532010866 1030231510 /nfs/dbraw/zinc/23/15/10/1030231510.db2.gz GFQTUVYJPNNWKR-UHFFFAOYSA-N -1 0 333.800 3.743 20 0 EHADRM CN(C[C@@H]1CC=CCC1)C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000447530214 1030252522 /nfs/dbraw/zinc/25/25/22/1030252522.db2.gz NOEIMVOTAGVCSP-CYBMUJFWSA-N -1 0 345.830 3.660 20 0 EHADRM CO[C@@H]1CCOc2c([N-]S(=O)(=O)c3cc(C)ccc3C)cccc21 ZINC000447778874 1030477213 /nfs/dbraw/zinc/47/72/13/1030477213.db2.gz RGOXIRULJKZAJX-MRXNPFEDSA-N -1 0 347.436 3.574 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)Cc3cccc(C(F)(F)F)c3)[nH][n-]2)o1 ZINC000447799715 1030483616 /nfs/dbraw/zinc/48/36/16/1030483616.db2.gz LHGMJQPQBVCLFY-UHFFFAOYSA-N -1 0 349.312 3.600 20 0 EHADRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c1 ZINC000447899896 1030593087 /nfs/dbraw/zinc/59/30/87/1030593087.db2.gz XYEDRZOJUVQJDK-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM CCOc1cc(-c2nc(=O)c3cc(C)sc3[nH]2)cc(Cl)c1[O-] ZINC000193914592 1030625159 /nfs/dbraw/zinc/62/51/59/1030625159.db2.gz JFPLKNPMMVFWJQ-UHFFFAOYSA-N -1 0 336.800 3.718 20 0 EHADRM CC1CCC(N(C)C(=O)N=c2[n-]nc(/C=C/c3ccco3)s2)CC1 ZINC000343393991 1030684112 /nfs/dbraw/zinc/68/41/12/1030684112.db2.gz FUPGTNNGEBUKRR-MDZDMXLPSA-N -1 0 346.456 3.766 20 0 EHADRM Cc1ccc(Nc2ccnc(F)c2Br)cc1C(=O)[O-] ZINC001211596900 1030685733 /nfs/dbraw/zinc/68/57/33/1030685733.db2.gz PBFMIALVSCLOQX-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1cccc(C)c1Cl ZINC000194213944 1030693265 /nfs/dbraw/zinc/69/32/65/1030693265.db2.gz HJAKYVYHZYIIQE-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)N1CCC[C@H]1CCC1CCCC1 ZINC000448151818 1030774191 /nfs/dbraw/zinc/77/41/91/1030774191.db2.gz RTIHRQOTGXNQEG-INIZCTEOSA-N -1 0 328.460 3.743 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(c2ccc3cc(Br)ccc3n2)C1 ZINC000668157989 1030806231 /nfs/dbraw/zinc/80/62/31/1030806231.db2.gz DQYIJACZZLHOGB-NSHDSACASA-N -1 0 349.228 3.688 20 0 EHADRM COc1cc(Br)ccc1/C=C\c1cc(C(=O)[O-])ccn1 ZINC000550973809 1030860235 /nfs/dbraw/zinc/86/02/35/1030860235.db2.gz HNEXHTAIRMUYHI-HYXAFXHYSA-N -1 0 334.169 3.721 20 0 EHADRM C[C@@H](CC(=O)[O-])N(C)Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000583823843 1030860497 /nfs/dbraw/zinc/86/04/97/1030860497.db2.gz KAISZHCWCQOTPO-NSHDSACASA-N -1 0 338.860 3.682 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc(C3CCC3)cc2)C[C@@H]1c1ccccc1 ZINC000262799576 1030915568 /nfs/dbraw/zinc/91/55/68/1030915568.db2.gz CNITVCCVFKHDBM-WOJBJXKFSA-N -1 0 349.430 3.895 20 0 EHADRM Cc1ccccc1C1(C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)CCCCC1 ZINC000262839586 1030929882 /nfs/dbraw/zinc/92/98/82/1030929882.db2.gz CXIOJFFHCQSBEA-IAGOWNOFSA-N -1 0 343.467 3.766 20 0 EHADRM Cc1cccc(CN(C)C(=O)N=c2ccc(-c3ccccc3)n[n-]2)c1 ZINC000448350191 1031000493 /nfs/dbraw/zinc/00/04/93/1031000493.db2.gz DTFDMZOQHXYEJU-UHFFFAOYSA-N -1 0 332.407 3.538 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)N[C@@H]1CSc2ccccc21 ZINC000448367581 1031017898 /nfs/dbraw/zinc/01/78/98/1031017898.db2.gz ROTHXFRBVSZPEG-MRXNPFEDSA-N -1 0 348.431 3.534 20 0 EHADRM COc1ccccc1-c1n[n-]c(=NCc2ccc(C(F)(F)F)cc2)o1 ZINC000551091265 1031033434 /nfs/dbraw/zinc/03/34/34/1031033434.db2.gz ISZOYNGJFDACCL-UHFFFAOYSA-N -1 0 349.312 3.798 20 0 EHADRM CC(C)(C)c1csc([N-]S(=O)(=O)c2ccc3ncccc3c2)n1 ZINC000476918076 1031079755 /nfs/dbraw/zinc/07/97/55/1031079755.db2.gz XMINBIMJMWDNOY-UHFFFAOYSA-N -1 0 347.465 3.790 20 0 EHADRM Cc1ccc2nc([N-]S(=O)(=O)c3cc(C)cc(F)c3)sc2c1 ZINC000476918586 1031081612 /nfs/dbraw/zinc/08/16/12/1031081612.db2.gz XTDLRUWJQCNXGR-UHFFFAOYSA-N -1 0 336.413 3.853 20 0 EHADRM CCC(CC)N(CC(C)C)C(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000483476847 1031186986 /nfs/dbraw/zinc/18/69/86/1031186986.db2.gz QNCNPOYNWWZXQS-UHFFFAOYSA-N -1 0 336.461 3.899 20 0 EHADRM CC(=O)N1CC2(CC2)c2ccc(Nc3ccc(C)c(C(=O)[O-])c3)cc21 ZINC001211603746 1031194489 /nfs/dbraw/zinc/19/44/89/1031194489.db2.gz FXPGMMWRSULTFX-UHFFFAOYSA-N -1 0 336.391 3.835 20 0 EHADRM COCC[C@H](N=c1nc(-c2ccccc2)[n-]s1)c1ccc(C)o1 ZINC000477142629 1031285000 /nfs/dbraw/zinc/28/50/00/1031285000.db2.gz YJLOTJQJZCAKPQ-AWEZNQCLSA-N -1 0 329.425 3.718 20 0 EHADRM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccoc2)c(C(F)(F)F)c1 ZINC000349965672 1031288001 /nfs/dbraw/zinc/28/80/01/1031288001.db2.gz PBHCXTGSSZYVTJ-UHFFFAOYSA-N -1 0 349.330 3.886 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]C(=O)C2(C)CCCCCC2)s1 ZINC000835512519 1031384196 /nfs/dbraw/zinc/38/41/96/1031384196.db2.gz VSSPQMMIEOUSNC-UHFFFAOYSA-N -1 0 329.487 3.530 20 0 EHADRM Cc1cc(C)cc(CC(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC000668283393 1031387615 /nfs/dbraw/zinc/38/76/15/1031387615.db2.gz PILUQFCRWYXSPS-OAHLLOKOSA-N -1 0 325.408 3.748 20 0 EHADRM C[C@H](c1cccs1)N(C)C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000176275557 1031420196 /nfs/dbraw/zinc/42/01/96/1031420196.db2.gz UEXSOTMODGPYFC-LLVKDONJSA-N -1 0 345.399 3.612 20 0 EHADRM CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000484090129 1031449211 /nfs/dbraw/zinc/44/92/11/1031449211.db2.gz ZJUANXVSDSCFGX-UHFFFAOYSA-N -1 0 345.342 3.692 20 0 EHADRM O=C([O-])C1(CC(=O)NC2CCC(c3ccc(F)cc3)CC2)CCC1 ZINC000668314709 1031458662 /nfs/dbraw/zinc/45/86/62/1031458662.db2.gz VXRLIZNNWMQJHX-UHFFFAOYSA-N -1 0 333.403 3.613 20 0 EHADRM O=C(N[C@@H](c1ccccc1)c1ccncc1)c1cc(F)c([O-])c(F)c1 ZINC000177117270 1031512702 /nfs/dbraw/zinc/51/27/02/1031512702.db2.gz GDRYIKMTAGXJMK-KRWDZBQOSA-N -1 0 340.329 3.585 20 0 EHADRM CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000484442308 1031576837 /nfs/dbraw/zinc/57/68/37/1031576837.db2.gz NUXKWUGDMZYYNP-UHFFFAOYSA-N -1 0 339.436 3.630 20 0 EHADRM CC(C)c1ccc([C@H](CC(=O)[O-])NCc2nccn2C(C)C)cc1 ZINC000904002201 1031587357 /nfs/dbraw/zinc/58/73/57/1031587357.db2.gz PNNGSARKMWAOHN-KRWDZBQOSA-N -1 0 329.444 3.893 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1cnn(C2CCC2)c1 ZINC000935183287 1031605737 /nfs/dbraw/zinc/60/57/37/1031605737.db2.gz NNDNCYJQTAJIAW-UHFFFAOYSA-N -1 0 326.183 3.873 20 0 EHADRM Cc1cc(F)c(S(=O)(=O)[N-]c2nc(C(C)C)cs2)cc1F ZINC000178138597 1031659454 /nfs/dbraw/zinc/65/94/54/1031659454.db2.gz XSNIWJJMOUSKOQ-UHFFFAOYSA-N -1 0 332.397 3.654 20 0 EHADRM CN(C)c1cccc(CN(C)C(=O)c2cc(F)c([O-])c(Cl)c2)c1 ZINC000194912402 1031677345 /nfs/dbraw/zinc/67/73/45/1031677345.db2.gz ICUGMAVHRIDWNL-UHFFFAOYSA-N -1 0 336.794 3.523 20 0 EHADRM Cc1csc(-c2cccc([N-]S(=O)(=O)c3ccsc3)c2)n1 ZINC000349988645 1031697643 /nfs/dbraw/zinc/69/76/43/1031697643.db2.gz GTPOKBQAECHGNU-UHFFFAOYSA-N -1 0 336.463 3.981 20 0 EHADRM Cc1nc(-c2ccc(N[C@@H]3C[C@H](NC(=O)[O-])C34CCC4)cc2)oc1C ZINC000904201012 1031847432 /nfs/dbraw/zinc/84/74/32/1031847432.db2.gz YNZXJXZFYAJFFR-CVEARBPZSA-N -1 0 341.411 3.949 20 0 EHADRM O=C([O-])N[C@@H]1C[C@@H](Nc2ccc(SC(F)F)cc2)C12CCC2 ZINC000904199660 1031847760 /nfs/dbraw/zinc/84/77/60/1031847760.db2.gz QPISSESBRJQYNA-VXGBXAGGSA-N -1 0 328.384 3.992 20 0 EHADRM Cc1ccnc(C)c1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000460559535 1031863356 /nfs/dbraw/zinc/86/33/56/1031863356.db2.gz RTLLGILWJNENRE-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM O=C([O-])N[C@@H]1C[C@@H](Nc2ccc3c(c2)OC2(CCCC2)O3)C12CCC2 ZINC000904229521 1031868286 /nfs/dbraw/zinc/86/82/86/1031868286.db2.gz JEHDKKSDAMXNLQ-HZPDHXFCSA-N -1 0 344.411 3.719 20 0 EHADRM COc1cc(N[C@@H]2C[C@H](NC(=O)[O-])C23CCC3)cc2ccccc21 ZINC000904261523 1031908438 /nfs/dbraw/zinc/90/84/38/1031908438.db2.gz FBXTZMCYEQWBLC-SJORKVTESA-N -1 0 326.396 3.839 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)C[C@H](C(=O)[O-])c2ccccc2)ccc1F ZINC000666107377 1031933835 /nfs/dbraw/zinc/93/38/35/1031933835.db2.gz BIXYRNROICYDSL-CJNGLKHVSA-N -1 0 329.371 3.570 20 0 EHADRM Cc1cc(C)c(C(=O)NC[C@@](C)(C(=O)[O-])c2ccc(F)cc2)c(C)c1 ZINC000448992432 1031999573 /nfs/dbraw/zinc/99/95/73/1031999573.db2.gz LEBGOXMGDDHTSY-HXUWFJFHSA-N -1 0 343.398 3.523 20 0 EHADRM CCc1cc(C(=O)NC[C@](C)(C(=O)[O-])c2ccc(F)cc2)sc1C ZINC000448995027 1032003392 /nfs/dbraw/zinc/00/33/92/1032003392.db2.gz PEQRBIZXQBSQTQ-SFHVURJKSA-N -1 0 349.427 3.530 20 0 EHADRM CC(C)c1ccc(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)s1 ZINC000448999989 1032007432 /nfs/dbraw/zinc/00/74/32/1032007432.db2.gz ZMRHYQGKDSAZCX-HUUCEWRRSA-N -1 0 343.448 3.812 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)NC[C@H]1CCCC[C@H]1c1ccccc1 ZINC000666111502 1032015584 /nfs/dbraw/zinc/01/55/84/1032015584.db2.gz ONUQJIFBAGDUOV-YDZRNGNQSA-N -1 0 341.451 3.744 20 0 EHADRM Cn1c2cccc(Br)c2nc1-c1ccc(C(=O)[O-])cc1 ZINC000537948556 1032030876 /nfs/dbraw/zinc/03/08/76/1032030876.db2.gz RUBCZRULBKVYAJ-UHFFFAOYSA-N -1 0 331.169 3.701 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cc2ccccc2s1)c1cccs1 ZINC000238174999 1033303435 /nfs/dbraw/zinc/30/34/35/1033303435.db2.gz RTJZBDYWENKRKP-LLVKDONJSA-N -1 0 331.418 3.909 20 0 EHADRM COc1cc(CN=c2[n-]nc(CC3CCCCC3)o2)ccc1SC ZINC000537490275 1033390706 /nfs/dbraw/zinc/39/07/06/1033390706.db2.gz CURFHFBKXWKLIX-UHFFFAOYSA-N -1 0 347.484 3.957 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)cc1 ZINC000588617129 1033426394 /nfs/dbraw/zinc/42/63/94/1033426394.db2.gz WNAMGIWKGMSBLA-PELGLCJISA-N -1 0 333.387 3.627 20 0 EHADRM O=S(=O)([N-]c1cccc(C(F)F)c1)c1cc(F)c(F)cc1F ZINC000105591850 1033484580 /nfs/dbraw/zinc/48/45/80/1033484580.db2.gz KGKXFTCFNUSNQY-UHFFFAOYSA-N -1 0 337.269 3.842 20 0 EHADRM COc1nc2ccccc2cc1CN=c1[n-]nc(C2CCCCC2)o1 ZINC000537505644 1033513717 /nfs/dbraw/zinc/51/37/17/1033513717.db2.gz ZPQJESFOKOMOTI-UHFFFAOYSA-N -1 0 338.411 3.708 20 0 EHADRM CCCOc1ccc(C(F)(F)F)cc1NC(=O)C[C@@H](C)CC(=O)[O-] ZINC000574769965 1033556787 /nfs/dbraw/zinc/55/67/87/1033556787.db2.gz DBFKQRNDNAVLHK-SNVBAGLBSA-N -1 0 347.333 3.934 20 0 EHADRM C[C@@H]1CCC[C@H](C)CN1C(=O)N=c1[n-]nc(Cc2ccccc2)s1 ZINC000608263368 1033558103 /nfs/dbraw/zinc/55/81/03/1033558103.db2.gz CQCVKGABKLOIDY-UONOGXRCSA-N -1 0 344.484 3.593 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@H](CC2CC2)c2ccccc2)s1 ZINC000608267491 1033562362 /nfs/dbraw/zinc/56/23/62/1033562362.db2.gz CAENHJCSBZIDMK-CQSZACIVSA-N -1 0 330.457 3.575 20 0 EHADRM O=C(c1cc(Br)c(F)cc1[O-])N1CCC[C@H]2CCC[C@H]21 ZINC000450006754 1033580671 /nfs/dbraw/zinc/58/06/71/1033580671.db2.gz VGZRLKVZKVWGBF-NOZJJQNGSA-N -1 0 342.208 3.699 20 0 EHADRM COc1ccc([C@H](C)NC(=O)c2c(C)ccc(C)c2C(=O)[O-])cc1 ZINC000326654072 1033599290 /nfs/dbraw/zinc/59/92/90/1033599290.db2.gz YPGFHAAQJLOIRX-ZDUSSCGKSA-N -1 0 327.380 3.501 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cnc3onc(C(C)C)c3c2)c1 ZINC000537545860 1033629426 /nfs/dbraw/zinc/62/94/26/1033629426.db2.gz GRLTWFWRNPIYMK-UHFFFAOYSA-N -1 0 339.351 3.507 20 0 EHADRM CC[C@@H](C)CN(C)C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000608364155 1033638272 /nfs/dbraw/zinc/63/82/72/1033638272.db2.gz XOOQJZUHOONQHR-CQSZACIVSA-N -1 0 329.444 3.819 20 0 EHADRM CC(C)CC1(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)CCCC1 ZINC000131694768 1033655899 /nfs/dbraw/zinc/65/58/99/1033655899.db2.gz QJXPTKCLDYBCHD-UHFFFAOYSA-N -1 0 329.400 3.575 20 0 EHADRM COC(=O)c1cc(NC(=O)c2cc(Cl)ccc2[O-])ccc1Cl ZINC000603475642 1033659227 /nfs/dbraw/zinc/65/92/27/1033659227.db2.gz SXBMRJWMRJOQHF-UHFFFAOYSA-N -1 0 340.162 3.738 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3ncc[nH]3)cc2)c1Cl ZINC000181135319 1033661970 /nfs/dbraw/zinc/66/19/70/1033661970.db2.gz BUAMVHHFGKTQFI-UHFFFAOYSA-N -1 0 347.827 3.839 20 0 EHADRM Cc1nc(-c2ccc(CCNc3ncccc3C(=O)[O-])cc2)cs1 ZINC000608423939 1033679428 /nfs/dbraw/zinc/67/94/28/1033679428.db2.gz URUBPCYTRWAMSP-UHFFFAOYSA-N -1 0 339.420 3.866 20 0 EHADRM C[C@@H]1CN(C(=O)c2c([O-])cc(F)cc2F)CC[C@@H]1c1ccccc1 ZINC000608467242 1033721051 /nfs/dbraw/zinc/72/10/51/1033721051.db2.gz AAMKGJVXIWUGIO-DOMZBBRYSA-N -1 0 331.362 3.936 20 0 EHADRM CCC[C@@H](CCCCNS(=O)(=O)CC1(C)CCCCC1)C(=O)[O-] ZINC000574955518 1033760517 /nfs/dbraw/zinc/76/05/17/1033760517.db2.gz JUERHOSJSATJOM-HNNXBMFYSA-N -1 0 347.521 3.547 20 0 EHADRM C[C@H](CSc1ccccc1)N(C)C(=O)NCc1ccc(O)c(F)c1 ZINC000650900645 1033856859 /nfs/dbraw/zinc/85/68/59/1033856859.db2.gz MDMLGJLSUSPDTR-CYBMUJFWSA-N -1 0 348.443 3.854 20 0 EHADRM Cc1[nH]c2c(cc(C)cc2CNC(=O)N=c2ccc(C3CC3)n[n-]2)c1C ZINC000533307345 1033858178 /nfs/dbraw/zinc/85/81/78/1033858178.db2.gz ASGNFLKCIOXDOS-UHFFFAOYSA-N -1 0 349.438 3.504 20 0 EHADRM CCCC[C@@H](NC(=O)Nc1ccc2ccn(CCC)c2c1)C(=O)[O-] ZINC000575118470 1033864851 /nfs/dbraw/zinc/86/48/51/1033864851.db2.gz JPDOCECEKUJCQP-OAHLLOKOSA-N -1 0 331.416 3.816 20 0 EHADRM O=C([N-][C@@H](c1ccccc1)c1ccc2c(c1)CCCO2)C(F)(F)F ZINC000170951299 1033872652 /nfs/dbraw/zinc/87/26/52/1033872652.db2.gz APDPJXPHHFXSKP-INIZCTEOSA-N -1 0 335.325 3.780 20 0 EHADRM CC(C)C[C@H](CNC(=O)C1CCC(C(F)(F)F)CC1)CC(=O)[O-] ZINC000322570604 1033882790 /nfs/dbraw/zinc/88/27/90/1033882790.db2.gz PXFPJWGLNHGXMD-HIFPTAJRSA-N -1 0 337.382 3.608 20 0 EHADRM Cc1ccccc1N=c1[n-]nc([C@H]2CCCO2)n1CCc1ccccc1 ZINC000460438747 1033913972 /nfs/dbraw/zinc/91/39/72/1033913972.db2.gz RAXKPLNYUPRFCO-LJQANCHMSA-N -1 0 348.450 3.846 20 0 EHADRM COc1ccc(F)c2[nH]c(C(=O)Nc3ccc(Cl)cc3O)cc21 ZINC000476482869 1033918767 /nfs/dbraw/zinc/91/87/67/1033918767.db2.gz LSONEESMPRVDPE-UHFFFAOYSA-N -1 0 334.734 3.927 20 0 EHADRM CC(C)(C(=O)[N-]OC1CCC1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000529443637 1033988163 /nfs/dbraw/zinc/98/81/63/1033988163.db2.gz JNWVDANQLDKOCZ-ZDUSSCGKSA-N -1 0 332.227 3.653 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000609023573 1033999036 /nfs/dbraw/zinc/99/90/36/1033999036.db2.gz LXXBONZMRKNIOU-LLVKDONJSA-N -1 0 335.498 3.518 20 0 EHADRM O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)c1c([O-])cccc1F ZINC000119029290 1034055148 /nfs/dbraw/zinc/05/51/48/1034055148.db2.gz FAVNDYPZTKSMNR-UHFFFAOYSA-N -1 0 349.321 3.987 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(F)cc2C)[nH]nc1-c1ccccc1 ZINC000534065033 1034068312 /nfs/dbraw/zinc/06/83/12/1034068312.db2.gz PIZZSSJGRNEOIV-UHFFFAOYSA-N -1 0 345.399 3.633 20 0 EHADRM Nc1ccc(-c2ccc(OC[C@H]3CCCCO3)cc2)cc1C(=O)[O-] ZINC000514679101 1034094596 /nfs/dbraw/zinc/09/45/96/1034094596.db2.gz WTHJCSCAFPBULZ-MRXNPFEDSA-N -1 0 327.380 3.582 20 0 EHADRM Cc1ccc(-c2cccc(CO[C@@H]3CCOC3)c2)c(C)c1C(=O)[O-] ZINC000517041154 1034123231 /nfs/dbraw/zinc/12/32/31/1034123231.db2.gz HYKRTCDQFYGAMA-QGZVFWFLSA-N -1 0 326.392 3.974 20 0 EHADRM Cc1n[nH]cc1S(=O)(=O)[N-]c1cccc(Sc2ccccc2)c1 ZINC000599925937 1034257141 /nfs/dbraw/zinc/25/71/41/1034257141.db2.gz BXERFCUUAWSFKU-UHFFFAOYSA-N -1 0 345.449 3.670 20 0 EHADRM C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1c([O-])cccc1F ZINC000119899498 1034269306 /nfs/dbraw/zinc/26/93/06/1034269306.db2.gz VXWQAFGMWYVPSU-JTQLQIEISA-N -1 0 330.384 3.974 20 0 EHADRM COC[C@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000171252697 1034276836 /nfs/dbraw/zinc/27/68/36/1034276836.db2.gz NXZMNUCVHLDAJD-RMNBPEERSA-N -1 0 334.759 3.760 20 0 EHADRM Cc1cccc2sc(C(=O)N=c3cc(C)c(C)n[n-]3)c(Cl)c21 ZINC000604233376 1034288183 /nfs/dbraw/zinc/28/81/83/1034288183.db2.gz ZSRDBZNIQBOQSV-UHFFFAOYSA-N -1 0 331.828 3.944 20 0 EHADRM COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1OCC(=O)[O-] ZINC000007718171 1034342647 /nfs/dbraw/zinc/34/26/47/1034342647.db2.gz XSTRMMLNNXGWRR-KRXBUXKQSA-N -1 0 346.766 3.708 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)C[C@@H](c2ccccc2)C(C)C)c1 ZINC000171400962 1034374510 /nfs/dbraw/zinc/37/45/10/1034374510.db2.gz CHEVPWGZIVLYMW-GOSISDBHSA-N -1 0 345.464 3.630 20 0 EHADRM Cc1sc(CN2CCCCC[C@H]2C(=O)[O-])cc1Br ZINC000227980596 1034401499 /nfs/dbraw/zinc/40/14/99/1034401499.db2.gz SDFRPTPSCCZSFI-LBPRGKRZSA-N -1 0 332.263 3.648 20 0 EHADRM O=C(N=c1nc(-c2ccsc2)[n-]s1)c1ccc(C(F)F)cc1 ZINC000596898271 1034431771 /nfs/dbraw/zinc/43/17/71/1034431771.db2.gz CYZQFZDYFBXMEG-UHFFFAOYSA-N -1 0 337.376 3.878 20 0 EHADRM O=C(c1cc(Br)c(F)cc1[O-])N1CC2(C1)CCCCC2 ZINC000450504683 1034436446 /nfs/dbraw/zinc/43/64/46/1034436446.db2.gz VPQMEPRVSSPYJQ-UHFFFAOYSA-N -1 0 342.208 3.700 20 0 EHADRM Cc1ccc(-c2c[nH]cc2C(=O)N=c2nc(C3(C)CC3)[n-]s2)s1 ZINC000529699825 1034446988 /nfs/dbraw/zinc/44/69/88/1034446988.db2.gz WREGKNJQYIHZQL-UHFFFAOYSA-N -1 0 344.465 3.629 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000604708646 1034462946 /nfs/dbraw/zinc/46/29/46/1034462946.db2.gz BJUAKBRVQDRQDH-AWEZNQCLSA-N -1 0 339.439 3.614 20 0 EHADRM CC(C)c1n[n-]c(=NCCc2c[nH]c3cccc(Br)c23)o1 ZINC000450533683 1034468336 /nfs/dbraw/zinc/46/83/36/1034468336.db2.gz WNDIZRSRXVAUDP-UHFFFAOYSA-N -1 0 349.232 3.513 20 0 EHADRM Cc1cccc(C)c1[C@H](C)NC(=O)CCc1ccccc1C(=O)[O-] ZINC000450539234 1034514831 /nfs/dbraw/zinc/51/48/31/1034514831.db2.gz JCQSUKAHXMXBHG-HNNXBMFYSA-N -1 0 325.408 3.812 20 0 EHADRM CC(C)c1n[n-]c(=NCc2c(Cl)cccc2-n2ccnc2)s1 ZINC000450554305 1034516623 /nfs/dbraw/zinc/51/66/23/1034516623.db2.gz KASGUCBGRKTCGQ-UHFFFAOYSA-N -1 0 333.848 3.535 20 0 EHADRM CN1CCC[C@@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)c2ccccc21 ZINC000456604397 1034590154 /nfs/dbraw/zinc/59/01/54/1034590154.db2.gz JSKBBSXMJYFZOJ-OAHLLOKOSA-N -1 0 348.805 3.886 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2nc(C(C)C)cs2)c(C)c1C ZINC000605075088 1034618143 /nfs/dbraw/zinc/61/81/43/1034618143.db2.gz PEORRUTVTFKAOB-UHFFFAOYSA-N -1 0 340.470 3.693 20 0 EHADRM FC(F)(F)C[C@@H]1CCCC[C@@H]1N=c1[n-]c(C(F)(F)F)ns1 ZINC000450660415 1034655348 /nfs/dbraw/zinc/65/53/48/1034655348.db2.gz KSUYPINHOLNQQB-BQBZGAKWSA-N -1 0 333.301 3.902 20 0 EHADRM Cc1cccc(Oc2ccccc2[N-]S(=O)(=O)C[C@H]2CCCO2)c1 ZINC000605291296 1034675936 /nfs/dbraw/zinc/67/59/36/1034675936.db2.gz ROUWZUDMOQDCSL-MRXNPFEDSA-N -1 0 347.436 3.708 20 0 EHADRM CC(C)(C)[C@@H]1OCCC[C@@H]1CN=c1[n-]nc(-c2ccccc2)s1 ZINC000605315842 1034708039 /nfs/dbraw/zinc/70/80/39/1034708039.db2.gz SNJWVSXNKYNYOW-HUUCEWRRSA-N -1 0 331.485 3.880 20 0 EHADRM CC(C)(C)[C@H]1OCCC[C@@H]1CN=c1[n-]nc(-c2ccccc2)s1 ZINC000605315840 1034708959 /nfs/dbraw/zinc/70/89/59/1034708959.db2.gz SNJWVSXNKYNYOW-CABCVRRESA-N -1 0 331.485 3.880 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H]1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000326446592 1034715195 /nfs/dbraw/zinc/71/51/95/1034715195.db2.gz NEXGOCXLJRDVSM-HUUCEWRRSA-N -1 0 325.364 3.918 20 0 EHADRM CC(C)c1cccc(O[C@H](C(=O)N=c2cccn[n-]2)c2ccccc2)c1 ZINC000605471129 1034751284 /nfs/dbraw/zinc/75/12/84/1034751284.db2.gz XWQJDNNHNFKSPL-FQEVSTJZSA-N -1 0 347.418 3.781 20 0 EHADRM CCC[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000076760275 1034761086 /nfs/dbraw/zinc/76/10/86/1034761086.db2.gz DFBCLFDKKDBPDF-BXKDBHETSA-N -1 0 335.347 3.787 20 0 EHADRM O=C([O-])c1cc2cc(-c3cccc(CO[C@@H]4CCOC4)c3)sc2[nH]1 ZINC000515072789 1034838130 /nfs/dbraw/zinc/83/81/30/1034838130.db2.gz JSHSMSHJPSNFLB-CQSZACIVSA-N -1 0 343.404 3.900 20 0 EHADRM CCCN(CC)c1ccc(C(=O)Nc2cccc(Cl)c2[O-])cn1 ZINC000605888304 1034839321 /nfs/dbraw/zinc/83/93/21/1034839321.db2.gz OZXCMEOSQBGQCU-UHFFFAOYSA-N -1 0 333.819 3.929 20 0 EHADRM O=C([O-])[C@H](C[C@H]1CCCc2ccccc21)NC(=O)Nc1ccsc1 ZINC000569928345 1034895074 /nfs/dbraw/zinc/89/50/74/1034895074.db2.gz LCWYNKZWQYWZOO-CJNGLKHVSA-N -1 0 344.436 3.833 20 0 EHADRM O=C([O-])[C@@H]1c2ccoc2CCN1CCc1cc(Cl)cc(Cl)c1 ZINC000530164619 1035034135 /nfs/dbraw/zinc/03/41/35/1035034135.db2.gz BAGGTVDBUTVXOX-HNNXBMFYSA-N -1 0 340.206 3.813 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2cc(C)cs2)ccc1OC(C)C ZINC000451031471 1035048966 /nfs/dbraw/zinc/04/89/66/1035048966.db2.gz MHUIOSXXVCJQOG-UHFFFAOYSA-N -1 0 341.454 3.653 20 0 EHADRM Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@@H]1CCC[C@H]1C(C)(C)C ZINC000413999856 1035341562 /nfs/dbraw/zinc/34/15/62/1035341562.db2.gz YYXIMGAGXFRTPM-CHWSQXEVSA-N -1 0 333.476 3.733 20 0 EHADRM CSc1cccc(S(=O)(=O)[N-]c2cncc3ccccc32)c1 ZINC000548991258 1035402737 /nfs/dbraw/zinc/40/27/37/1035402737.db2.gz USYVLEHNIBBTIK-UHFFFAOYSA-N -1 0 330.434 3.758 20 0 EHADRM CCS(=O)(=O)c1ccc([O-])c(NC(=O)C[C@H](C)CC(C)(C)C)c1 ZINC000613179417 1035443852 /nfs/dbraw/zinc/44/38/52/1035443852.db2.gz BRQSCARWNZJOGF-LBPRGKRZSA-N -1 0 341.473 3.587 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2ncc(C)s2)cc1Cl ZINC000185608796 1035502227 /nfs/dbraw/zinc/50/22/27/1035502227.db2.gz UBOVIVDJIJYUNO-UHFFFAOYSA-N -1 0 334.875 3.628 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000571462333 1035502478 /nfs/dbraw/zinc/50/24/78/1035502478.db2.gz SBQPNHORHCHURK-CYBMUJFWSA-N -1 0 337.847 3.622 20 0 EHADRM Cc1coc2ccc(NC(=O)c3cc(=O)n(-c4ccc(C)cc4)[n-]3)cc12 ZINC000185803730 1035515403 /nfs/dbraw/zinc/51/54/03/1035515403.db2.gz TVRSGFPHJWQETN-UHFFFAOYSA-N -1 0 347.374 3.781 20 0 EHADRM Cc1cc(C)c2nc(C3CC3)cc(C(=O)NC[C@@H](C)CC(=O)[O-])c2c1 ZINC000431794909 1035520199 /nfs/dbraw/zinc/52/01/99/1035520199.db2.gz NVQOBCPTJWHKEP-LBPRGKRZSA-N -1 0 340.423 3.570 20 0 EHADRM O=C(Cc1ccoc1)Nc1cc(Cl)cc(Br)c1[O-] ZINC000185722000 1035522630 /nfs/dbraw/zinc/52/26/30/1035522630.db2.gz GKMTWHYSEWNCHE-UHFFFAOYSA-N -1 0 330.565 3.582 20 0 EHADRM CC1CCC(CNC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)CC1 ZINC000055490865 1035530197 /nfs/dbraw/zinc/53/01/97/1035530197.db2.gz ODJSETLBJSDGEK-UHFFFAOYSA-N -1 0 331.441 3.554 20 0 EHADRM CCC(CC)(CC(=O)Nc1ccc(OC)c(SC)c1)C(=O)[O-] ZINC000414107022 1035540422 /nfs/dbraw/zinc/54/04/22/1035540422.db2.gz ROYDYVOPSIOPMW-UHFFFAOYSA-N -1 0 325.430 3.637 20 0 EHADRM C[C@H](CCOc1ccccc1)C(=O)N[C@H](CC(=O)[O-])C1CCCCC1 ZINC000540706887 1035587747 /nfs/dbraw/zinc/58/77/47/1035587747.db2.gz RNCUMJQQDHTLFS-CRAIPNDOSA-N -1 0 347.455 3.631 20 0 EHADRM Cc1c(C(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])cnc2ccccc12 ZINC000431802911 1035598448 /nfs/dbraw/zinc/59/84/48/1035598448.db2.gz ZNOPZZKRDNXOIG-CRAIPNDOSA-N -1 0 340.423 3.697 20 0 EHADRM O=C([O-])C[C@H]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000236426847 1035665747 /nfs/dbraw/zinc/66/57/47/1035665747.db2.gz DJEAJYNEKOGXAK-MRVPVSSYSA-N -1 0 333.171 3.593 20 0 EHADRM Cc1cc(CN=c2[n-]nc(CC(C)(C)C)o2)cc(C)c1OC(F)F ZINC000540792649 1035686902 /nfs/dbraw/zinc/68/69/02/1035686902.db2.gz YAIRGMZDFSGQLS-UHFFFAOYSA-N -1 0 339.386 3.910 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@H](C)Oc2ccccc2Cl)c1 ZINC000540843129 1035726396 /nfs/dbraw/zinc/72/63/96/1035726396.db2.gz IQKZOFWBKKBMRK-NSHDSACASA-N -1 0 333.771 3.654 20 0 EHADRM c1ccc(-c2noc(=NCc3ccc(N4CCCCCC4)nc3)[n-]2)cc1 ZINC000588161146 1035731138 /nfs/dbraw/zinc/73/11/38/1035731138.db2.gz GEFJBJHIAHTHNO-UHFFFAOYSA-N -1 0 349.438 3.546 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(-c2ncco2)cc1 ZINC000187040605 1035745618 /nfs/dbraw/zinc/74/56/18/1035745618.db2.gz YTQREDHWZIVRSN-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM CC[C@H](Cc1ccccc1)N(C)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000174036998 1035764864 /nfs/dbraw/zinc/76/48/64/1035764864.db2.gz MULQSZCAXOGVIJ-QGZVFWFLSA-N -1 0 349.434 3.671 20 0 EHADRM Cc1cccc(O)c1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000038052599 1035810148 /nfs/dbraw/zinc/81/01/48/1035810148.db2.gz CDMKHQBNBIFFQH-UHFFFAOYSA-N -1 0 338.237 3.870 20 0 EHADRM O=S(=O)([N-]c1cccc2c1OCCC2)c1c(F)cccc1Cl ZINC000463794012 1035837142 /nfs/dbraw/zinc/83/71/42/1035837142.db2.gz DRYKKPIFAHJFGU-UHFFFAOYSA-N -1 0 341.791 3.605 20 0 EHADRM Cc1ccccc1-c1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)c(C)c1 ZINC000571939456 1035841340 /nfs/dbraw/zinc/84/13/40/1035841340.db2.gz MFXVLOCKHQQZPR-KRWDZBQOSA-N -1 0 337.419 3.907 20 0 EHADRM C[C@H](CC(=O)N=c1nc(-c2ccccc2)[n-]s1)c1ccccc1F ZINC000588364338 1035922944 /nfs/dbraw/zinc/92/29/44/1035922944.db2.gz DLFOPRCPIYOKPO-GFCCVEGCSA-N -1 0 341.411 3.898 20 0 EHADRM O=C(Nc1ccc(F)c(F)c1[O-])c1ccc([C@@H]2CCCOC2)cc1 ZINC000457292100 1035923597 /nfs/dbraw/zinc/92/35/97/1035923597.db2.gz LHYUQWDUXBSVHL-CYBMUJFWSA-N -1 0 333.334 3.817 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cc2c(s1)CCOC2 ZINC000376300630 1035946063 /nfs/dbraw/zinc/94/60/63/1035946063.db2.gz PHLVMYWTDMRDMX-UHFFFAOYSA-N -1 0 327.764 3.571 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)c(C)c1 ZINC000174756843 1036079058 /nfs/dbraw/zinc/07/90/58/1036079058.db2.gz SVUHLPTZUSCCFZ-UHFFFAOYSA-N -1 0 345.342 3.823 20 0 EHADRM COc1ccc(NCc2cc(=O)oc3c(C)c(O)ccc23)cc1F ZINC000056173011 1036095512 /nfs/dbraw/zinc/09/55/12/1036095512.db2.gz IIBREBYCCDWSEZ-UHFFFAOYSA-N -1 0 329.327 3.567 20 0 EHADRM CC[C@H](CNC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)CC(F)(F)F ZINC000402607319 1036179869 /nfs/dbraw/zinc/17/98/69/1036179869.db2.gz QAXPQNQABWDKDH-BLLLJJGKSA-N -1 0 345.361 3.514 20 0 EHADRM CC(=O)Nc1ccc(/C=C/C(=O)Nc2cc(F)cc(Cl)c2[O-])cc1 ZINC000492702289 1036193585 /nfs/dbraw/zinc/19/35/85/1036193585.db2.gz GRGHMMSSVNLBJP-QPJJXVBHSA-N -1 0 348.761 3.795 20 0 EHADRM CC(C)n1cc([C@H](C)N=c2[n-]nc(Cc3ccccc3)s2)cn1 ZINC000541349442 1036225409 /nfs/dbraw/zinc/22/54/09/1036225409.db2.gz UUICRBXPWYHPSP-ZDUSSCGKSA-N -1 0 327.457 3.501 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2cccc(C(F)F)c2Cl)C1 ZINC000263129610 1036264024 /nfs/dbraw/zinc/26/40/24/1036264024.db2.gz MXVGDJXSRTVJSH-RKDXNWHRSA-N -1 0 346.761 3.852 20 0 EHADRM COc1cc(/C=C\C(=O)Nc2cc(Cl)c([O-])cc2F)ccc1F ZINC000492801734 1036318872 /nfs/dbraw/zinc/31/88/72/1036318872.db2.gz RGBGGTFDOUWERT-HYXAFXHYSA-N -1 0 339.725 3.984 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]c1ncc(Cc2ccccc2)s1 ZINC000589265052 1036323352 /nfs/dbraw/zinc/32/33/52/1036323352.db2.gz WKYHLBDWMUTDTF-UHFFFAOYSA-N -1 0 344.461 3.843 20 0 EHADRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccnn2C(C)C)c(C)c1C ZINC000589262858 1036325243 /nfs/dbraw/zinc/32/52/43/1036325243.db2.gz DAKSEXAGTZMYLV-UHFFFAOYSA-N -1 0 335.473 3.807 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(Cl)cc2O)[C@H](c2ccccc2)CO1 ZINC000175435244 1036379233 /nfs/dbraw/zinc/37/92/33/1036379233.db2.gz QCZQFPGJTQZWJF-LRDDRELGSA-N -1 0 331.799 3.648 20 0 EHADRM CC(C)(C)n1cnc(=NC(=O)N2CCC[C@@H]2CCC2CCCCC2)[n-]1 ZINC000541505052 1036387625 /nfs/dbraw/zinc/38/76/25/1036387625.db2.gz AFOWUTNSTREQRE-MRXNPFEDSA-N -1 0 347.507 3.812 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc3ccc(C)nc32)c1 ZINC000589439120 1036414694 /nfs/dbraw/zinc/41/46/94/1036414694.db2.gz PFIXWNKIYRESFS-UHFFFAOYSA-N -1 0 326.421 3.961 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)n2)cc1Cl ZINC000464413381 1036418876 /nfs/dbraw/zinc/41/88/76/1036418876.db2.gz CIJUZRSUCIYUDE-UHFFFAOYSA-N -1 0 342.873 3.875 20 0 EHADRM CCCN(C(=O)Nc1cccc(-c2nc(C)co2)c1)[C@@H](CC)C(=O)[O-] ZINC000572703059 1036458505 /nfs/dbraw/zinc/45/85/05/1036458505.db2.gz XDJFLIGSPDTINJ-HNNXBMFYSA-N -1 0 345.399 3.757 20 0 EHADRM O=C(Nc1cccc(Oc2ccccn2)c1)c1s[n-]c(=O)c1Cl ZINC000572734991 1036475077 /nfs/dbraw/zinc/47/50/77/1036475077.db2.gz JFWIMXBUXLBVDS-UHFFFAOYSA-N -1 0 347.783 3.942 20 0 EHADRM O=C(Nn1cnc2ccccc21)c1cc(Oc2ccccc2)ccc1O ZINC000157107740 1036499476 /nfs/dbraw/zinc/49/94/76/1036499476.db2.gz PNKWUWGMPRLHBJ-UHFFFAOYSA-N -1 0 345.358 3.918 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cnc(C(F)(F)F)cc2C)cc1 ZINC000685902544 1036508531 /nfs/dbraw/zinc/50/85/31/1036508531.db2.gz YKGHEHUMMSHGDX-UHFFFAOYSA-N -1 0 344.358 3.772 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2cccc3c2OCCC3)c(C)c1 ZINC000464539514 1036545532 /nfs/dbraw/zinc/54/55/32/1036545532.db2.gz CSNBHHPFJRJCCU-UHFFFAOYSA-N -1 0 347.436 3.520 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000263173943 1036602749 /nfs/dbraw/zinc/60/27/49/1036602749.db2.gz JQEXMCGHNRQKLX-KOLCDFICSA-N -1 0 335.400 3.674 20 0 EHADRM CC[C@H](C)CN(CC)C(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC000176383003 1036610595 /nfs/dbraw/zinc/61/05/95/1036610595.db2.gz KASPSWWOGGCLNA-LBPRGKRZSA-N -1 0 333.407 3.534 20 0 EHADRM C[C@@H]1CCC[C@@H](CC(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)C1 ZINC000580074491 1036761986 /nfs/dbraw/zinc/76/19/86/1036761986.db2.gz VSXBUPLYTGTZGT-AHCXZYCDSA-N -1 0 329.440 3.530 20 0 EHADRM O=C([O-])CC1CCN(C(=O)c2cc3c(ccc4ccccc34)[nH]2)CC1 ZINC000263299281 1036772503 /nfs/dbraw/zinc/77/25/03/1036772503.db2.gz YWNDOANQIYWNQT-UHFFFAOYSA-N -1 0 336.391 3.648 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000263333320 1036793986 /nfs/dbraw/zinc/79/39/86/1036793986.db2.gz QICYJQZGHLLVGG-VIRABCJISA-N -1 0 337.847 3.791 20 0 EHADRM Cc1nc(CCN=c2[n-]nc(-c3ccccc3Cl)s2)c(C)o1 ZINC000546881149 1036797675 /nfs/dbraw/zinc/79/76/75/1036797675.db2.gz GTAZXQOFSXVDPM-UHFFFAOYSA-N -1 0 334.832 3.540 20 0 EHADRM CC[C@@H](C)CN(CC)C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263375682 1036823948 /nfs/dbraw/zinc/82/39/48/1036823948.db2.gz BUAJLJVLWCGCPN-NVXWUHKLSA-N -1 0 334.460 3.540 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CCCC1 ZINC000321542887 1036836479 /nfs/dbraw/zinc/83/64/79/1036836479.db2.gz CTSBPSHTQXYUCC-UHFFFAOYSA-N -1 0 340.763 3.612 20 0 EHADRM CCN(CC)[C@H](CN=c1nc(-c2ccccc2)[n-]s1)c1ccco1 ZINC000462380202 1036902894 /nfs/dbraw/zinc/90/28/94/1036902894.db2.gz VKTJJHSSLGQALZ-OAHLLOKOSA-N -1 0 342.468 3.715 20 0 EHADRM C[C@@H](CC(=O)N1CCC[C@@]1(C)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000263443164 1036922364 /nfs/dbraw/zinc/92/23/64/1036922364.db2.gz MUHZVZFWJAFKIE-ZBEGNZNMSA-N -1 0 343.345 3.665 20 0 EHADRM C[C@@H](C(=O)N1CCC[C@]1(C)C(=O)[O-])c1c(Cl)cccc1Cl ZINC000666364270 1036923585 /nfs/dbraw/zinc/92/35/85/1036923585.db2.gz ILVCUPKHJYKYSN-RFAUZJTJSA-N -1 0 330.211 3.563 20 0 EHADRM COc1ccc(F)cc1[C@H](C)NC(=O)c1c(C)ccc(C)c1C(=O)[O-] ZINC000328024764 1036955350 /nfs/dbraw/zinc/95/53/50/1036955350.db2.gz UQFMEYBNBWWIST-LBPRGKRZSA-N -1 0 345.370 3.640 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)CCc2cc3ccccc3o2)c1 ZINC000539604227 1036967198 /nfs/dbraw/zinc/96/71/98/1036967198.db2.gz VFFBOLLROKCFNC-UHFFFAOYSA-N -1 0 327.311 3.841 20 0 EHADRM COc1cccc(SCC(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC000913613423 1036969455 /nfs/dbraw/zinc/96/94/55/1036969455.db2.gz ZTHIFQQGRXDHIG-YFHOEESVSA-N -1 0 343.404 3.524 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N[C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000653282034 1036976501 /nfs/dbraw/zinc/97/65/01/1036976501.db2.gz JLLVASAOFNPMKO-LBPRGKRZSA-N -1 0 347.411 3.818 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1CCCc2sccc21)c1ccc(F)cc1 ZINC000376463609 1037014125 /nfs/dbraw/zinc/01/41/25/1037014125.db2.gz MXVNJNQIUCQTKM-GJZGRUSLSA-N -1 0 347.411 3.639 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@@]2(C(=O)[O-])CC=CCC2)C1 ZINC000653282589 1037020950 /nfs/dbraw/zinc/02/09/50/1037020950.db2.gz CGMGZJSOPBDGHW-RZQQEMMASA-N -1 0 327.424 3.511 20 0 EHADRM CC[C@@H](CC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1)c1ccccc1 ZINC000103521744 1037025560 /nfs/dbraw/zinc/02/55/60/1037025560.db2.gz BCLKKZBDVWCMFT-ZDUSSCGKSA-N -1 0 337.379 3.552 20 0 EHADRM Cc1ccc(-c2nsc([N-]C(=O)c3cc(C4CC4)no3)n2)s1 ZINC000516618966 1037029114 /nfs/dbraw/zinc/02/91/14/1037029114.db2.gz JXCDUGMIDYJRTC-UHFFFAOYSA-N -1 0 332.410 3.693 20 0 EHADRM C[C@@H](Oc1ccc(/C=C\c2ccc3cccc(O)c3n2)cc1)C(=O)[O-] ZINC000504712269 1037036974 /nfs/dbraw/zinc/03/69/74/1037036974.db2.gz NWQYAIPOSSXKLK-WYOARUQKSA-N -1 0 335.359 3.963 20 0 EHADRM COc1cc(Cl)c(C)cc1NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000539674864 1037055211 /nfs/dbraw/zinc/05/52/11/1037055211.db2.gz HMSJSIKQNNFJCS-UHFFFAOYSA-N -1 0 333.771 3.536 20 0 EHADRM CC1(C)CCC(=CC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)CC1 ZINC000761407358 1037056093 /nfs/dbraw/zinc/05/60/93/1037056093.db2.gz QMMCVJWQGGVOTC-INIZCTEOSA-N -1 0 333.403 3.984 20 0 EHADRM O=C([O-])C1C[NH+](Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1 ZINC000263531176 1037059842 /nfs/dbraw/zinc/05/98/42/1037059842.db2.gz WODSCWGKNSAUBS-UHFFFAOYSA-N -1 0 326.179 3.770 20 0 EHADRM O=C(NCc1coc(-c2ccccc2)n1)c1ccc([O-])c(Cl)c1 ZINC000176574604 1037061385 /nfs/dbraw/zinc/06/13/85/1037061385.db2.gz NXAPPMVOONNVIW-UHFFFAOYSA-N -1 0 328.755 3.631 20 0 EHADRM CCc1ccc(CN=c2[n-]nc(CCCc3cccs3)o2)s1 ZINC000539693524 1037081834 /nfs/dbraw/zinc/08/18/34/1037081834.db2.gz DUTSYEPLBYLJDZ-UHFFFAOYSA-N -1 0 333.482 3.964 20 0 EHADRM Fc1cccc(Cc2n[n-]c(=NCc3ccc4ccccc4c3)o2)c1 ZINC000539694112 1037085755 /nfs/dbraw/zinc/08/57/55/1037085755.db2.gz UINUTFAYJGYJSR-UHFFFAOYSA-N -1 0 333.366 3.987 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])[S@@](=O)Cc1csc(-c2ccsc2)n1 ZINC000590901671 1037129785 /nfs/dbraw/zinc/12/97/85/1037129785.db2.gz RDFXDQOZESDQQA-QKVFXAPYSA-N -1 0 343.495 3.620 20 0 EHADRM C[C@H]1C[C@H](CC(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)CC(C)(C)C1 ZINC000590961043 1037143697 /nfs/dbraw/zinc/14/36/97/1037143697.db2.gz OCFMQZOOAXDMOJ-QWHCGFSZSA-N -1 0 343.427 3.821 20 0 EHADRM CCOc1ccc(C(=O)Nc2cc(C(C)=O)ccc2[O-])cc1OCC ZINC000539751755 1037161622 /nfs/dbraw/zinc/16/16/22/1037161622.db2.gz ZVVSUGZJWVBAOM-UHFFFAOYSA-N -1 0 343.379 3.645 20 0 EHADRM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)CC2(C(=O)[O-])CCC2)cc1 ZINC000263572237 1037167023 /nfs/dbraw/zinc/16/70/23/1037167023.db2.gz KQYWPOCSIMTGHR-IRXDYDNUSA-N -1 0 329.440 3.735 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)NCCCCC(=O)[O-])c1ccc(F)cc1 ZINC000666517581 1037175078 /nfs/dbraw/zinc/17/50/78/1037175078.db2.gz VZSYYVAUAVOYCZ-HNNXBMFYSA-N -1 0 338.423 3.857 20 0 EHADRM C[C@@H](NC(=O)c1ccccc1O)c1noc(-c2ccc(Cl)cc2)n1 ZINC000176770818 1037181128 /nfs/dbraw/zinc/18/11/28/1037181128.db2.gz MKEJFDQDGUVDHE-SNVBAGLBSA-N -1 0 343.770 3.587 20 0 EHADRM Cc1nc2cc([N-]S(=O)(=O)c3ccc(Cl)s3)ccc2o1 ZINC000008110109 1037183336 /nfs/dbraw/zinc/18/33/36/1037183336.db2.gz XOQDGEGLQOPEDL-UHFFFAOYSA-N -1 0 328.802 3.652 20 0 EHADRM O=C(NCc1cccc(C(F)(F)F)c1)c1cc(F)c([O-])c(F)c1 ZINC000176961023 1037288595 /nfs/dbraw/zinc/28/85/95/1037288595.db2.gz UBOYOCFUCNHAHF-UHFFFAOYSA-N -1 0 331.240 3.619 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000659119004 1037291374 /nfs/dbraw/zinc/29/13/74/1037291374.db2.gz BCOURQFPNWIHNI-ZBFHGGJFSA-N -1 0 327.380 3.742 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000659119027 1037294049 /nfs/dbraw/zinc/29/40/49/1037294049.db2.gz PEHVLVUOJKTOPZ-HNNXBMFYSA-N -1 0 333.771 3.821 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[C@@H]1c1cccc(C)c1C ZINC000659121960 1037313751 /nfs/dbraw/zinc/31/37/51/1037313751.db2.gz ISKMIMYXLHCIPL-MRXNPFEDSA-N -1 0 327.380 3.880 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(C(C)C)c2)c1 ZINC000659127884 1037316803 /nfs/dbraw/zinc/31/68/03/1037316803.db2.gz VXVYNJHYHKDIQW-GOSISDBHSA-N -1 0 341.407 3.764 20 0 EHADRM CC(C)C[C@@H](C(=O)NCCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000659130389 1037333740 /nfs/dbraw/zinc/33/37/40/1037333740.db2.gz BMYNNZXVPZHKEV-OAHLLOKOSA-N -1 0 325.836 3.841 20 0 EHADRM CC(C=CC([O-])=C1C(=O)C=C(C)OC1=O)=Cc1ccc(Cl)cc1 ZINC000152595168 1037339331 /nfs/dbraw/zinc/33/93/31/1037339331.db2.gz FDXQNJLJDNPDOV-YJWXAJAUSA-N -1 0 330.767 3.515 20 0 EHADRM O=C([O-])[C@H](CNC(=O)C1CC2(C1)CCCCC2)Cc1cccc(F)c1 ZINC000659135083 1037344193 /nfs/dbraw/zinc/34/41/93/1037344193.db2.gz KLUHSZCFJUESGB-HNNXBMFYSA-N -1 0 347.430 3.546 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)C[C@]23CCCC[C@H]2C3(F)F)c1 ZINC000659137917 1037345907 /nfs/dbraw/zinc/34/59/07/1037345907.db2.gz NKXXWDJRSARVAE-IUODEOHRSA-N -1 0 327.302 3.678 20 0 EHADRM CC1(C)CC(C(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)CC(C)(C)C1 ZINC000659157408 1037391689 /nfs/dbraw/zinc/39/16/89/1037391689.db2.gz VADHAJDDPPODMK-INIZCTEOSA-N -1 0 349.393 3.705 20 0 EHADRM CSc1ccc([C@@H](C)NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)cc1 ZINC000659165701 1037397517 /nfs/dbraw/zinc/39/75/17/1037397517.db2.gz JSPINBJOUUPUHO-GFCCVEGCSA-N -1 0 333.453 3.621 20 0 EHADRM O=C([O-])c1ccc2c(c1)[C@H](CNC(=O)c1cc(F)ccc1F)CCC2 ZINC000659184349 1037437607 /nfs/dbraw/zinc/43/76/07/1037437607.db2.gz LBVLARJZDQLBJI-ZDUSSCGKSA-N -1 0 345.345 3.513 20 0 EHADRM Cc1[nH]c2ccc(C(=O)[N-]S(=O)(=O)C3CCCCC3)cc2c1C ZINC000058072909 1037451966 /nfs/dbraw/zinc/45/19/66/1037451966.db2.gz SEHBHNKYUZTYBR-UHFFFAOYSA-N -1 0 334.441 3.752 20 0 EHADRM Cc1ccc(CCCC(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)cc1 ZINC000659196227 1037457035 /nfs/dbraw/zinc/45/70/35/1037457035.db2.gz UDIBJZWLVBMUCH-QYZOEREBSA-N -1 0 343.467 3.810 20 0 EHADRM Cc1ccccc1SCC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000659193161 1037461442 /nfs/dbraw/zinc/46/14/42/1037461442.db2.gz INKFRVJYORLBIH-PMPSAXMXSA-N -1 0 347.480 3.579 20 0 EHADRM CC(C)(F)CCNC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000659193487 1037462198 /nfs/dbraw/zinc/46/21/98/1037462198.db2.gz URTDHDQCJDOSJZ-UHFFFAOYSA-N -1 0 329.371 3.920 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N[C@@](C)(CCF)C(=O)[O-] ZINC000659213961 1037497112 /nfs/dbraw/zinc/49/71/12/1037497112.db2.gz ACCZSGNIFJEPOW-IBGZPJMESA-N -1 0 343.354 3.827 20 0 EHADRM CSc1ccc(S(=O)(=O)Nc2ccc(C(C)=O)c(C)c2)cc1 ZINC000134770665 1037536837 /nfs/dbraw/zinc/53/68/37/1037536837.db2.gz XLBLLHPVUGCSKF-UHFFFAOYSA-N -1 0 335.450 3.720 20 0 EHADRM Cc1ccc(C)c(OCCCCC(=O)N[C@@H]2CCC[C@@]2(C)C(=O)[O-])c1 ZINC000659234216 1037545457 /nfs/dbraw/zinc/54/54/57/1037545457.db2.gz FPOPAGVKTPHGGX-YLJYHZDGSA-N -1 0 347.455 3.612 20 0 EHADRM C[C@H](C(=O)N[C@@H]1CCC[C@]1(C)C(=O)[O-])c1c(Cl)cccc1Cl ZINC000659236758 1037550448 /nfs/dbraw/zinc/55/04/48/1037550448.db2.gz HRMCJDLSKRMPGB-DUZHOBMZSA-N -1 0 344.238 3.857 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H](CC)Nc2ccccc2)c1 ZINC000462922355 1037559386 /nfs/dbraw/zinc/55/93/86/1037559386.db2.gz HQAMSXXUVXDKCH-OAHLLOKOSA-N -1 0 326.396 3.814 20 0 EHADRM C[C@H](C(=O)N[C@@H]1CCC[C@@]1(C)C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000659239831 1037559440 /nfs/dbraw/zinc/55/94/40/1037559440.db2.gz WKDLJIFTOLFRSM-LQBHMHGISA-N -1 0 344.238 3.857 20 0 EHADRM CCCOc1cccc(CC(=O)Nc2cc(C(=O)CC)ccc2[O-])c1 ZINC000462934663 1037567872 /nfs/dbraw/zinc/56/78/72/1037567872.db2.gz HNZFHPNGTHKPHJ-UHFFFAOYSA-N -1 0 341.407 3.955 20 0 EHADRM COc1cccc(S(=O)(=O)[N-]C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000058186049 1037568921 /nfs/dbraw/zinc/56/89/21/1037568921.db2.gz WFKMMTHJBKKFTO-UHFFFAOYSA-N -1 0 347.436 3.686 20 0 EHADRM CCCC[C@@H]1CCC[C@@H]1NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000172760411 1037636317 /nfs/dbraw/zinc/63/63/17/1037636317.db2.gz YKBORLGWYFRUEK-WBVHZDCISA-N -1 0 341.455 3.563 20 0 EHADRM CCCC[C@H]1CCC[C@@H]1NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000172760418 1037636746 /nfs/dbraw/zinc/63/67/46/1037636746.db2.gz YKBORLGWYFRUEK-RDJZCZTQSA-N -1 0 341.455 3.563 20 0 EHADRM Cc1ccc(CN(C(=O)N=c2ccc(C3CC3)n[n-]2)C2CC2)cc1C ZINC000532561824 1037646890 /nfs/dbraw/zinc/64/68/90/1037646890.db2.gz NPAPBNCZAKFASD-UHFFFAOYSA-N -1 0 336.439 3.589 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC000653304241 1037666801 /nfs/dbraw/zinc/66/68/01/1037666801.db2.gz HKCOTWBPDBXVAO-HNNXBMFYSA-N -1 0 327.833 3.561 20 0 EHADRM CC[C@H](NC(=O)N(CC(=O)[O-])CC(C)C)c1ccc(Cl)s1 ZINC000780573031 1037719907 /nfs/dbraw/zinc/71/99/07/1037719907.db2.gz HAYXNOROCMAIKB-JTQLQIEISA-N -1 0 332.853 3.605 20 0 EHADRM CO[C@H](C)c1nsc(=NCCCCOc2ccc(Cl)cc2)[n-]1 ZINC000509664540 1037747398 /nfs/dbraw/zinc/74/73/98/1037747398.db2.gz AIGULCOACVHBDJ-LLVKDONJSA-N -1 0 341.864 3.592 20 0 EHADRM Cc1ccc(-c2noc(C(=O)[N-]c3c(F)cccc3F)n2)cc1C ZINC001212170482 1037766379 /nfs/dbraw/zinc/76/63/79/1037766379.db2.gz CINQULNVEGVJPF-UHFFFAOYSA-N -1 0 329.306 3.884 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@@H](C)c3ccc[nH]3)n2)c1 ZINC000760951432 1037882103 /nfs/dbraw/zinc/88/21/03/1037882103.db2.gz KRMRVZKEKPWXPJ-ZDUSSCGKSA-N -1 0 338.411 3.520 20 0 EHADRM CCC[C@](C)(NC(=O)N[C@@H](CC)c1ccc(Cl)s1)C(=O)[O-] ZINC000780575068 1037930317 /nfs/dbraw/zinc/93/03/17/1037930317.db2.gz LKEXOLRWINYLJD-XPTSAGLGSA-N -1 0 332.853 3.795 20 0 EHADRM Cc1n[n-]c(=NCc2ccccc2Oc2ccc(F)cc2Cl)n1C ZINC000463248152 1037936829 /nfs/dbraw/zinc/93/68/29/1037936829.db2.gz LWDYYCGZYCANCK-UHFFFAOYSA-N -1 0 346.793 3.742 20 0 EHADRM Cc1ccc(S(=O)(=O)N[C@H](C)c2cc(Cl)ccc2Cl)o1 ZINC000492107194 1037986040 /nfs/dbraw/zinc/98/60/40/1037986040.db2.gz ONQZPAZXPXWNSF-SECBINFHSA-N -1 0 334.224 3.934 20 0 EHADRM Cc1cc2occ(CC(=O)NCC3(C(=O)[O-])CCCCC3)c2cc1C ZINC000431856387 1038008860 /nfs/dbraw/zinc/00/88/60/1038008860.db2.gz IZYAQOBPGDKPAG-UHFFFAOYSA-N -1 0 343.423 3.743 20 0 EHADRM Cc1c(NC(=O)c2ccc([O-])c(Cl)c2)cccc1N1CCOC1=O ZINC000173340576 1038041881 /nfs/dbraw/zinc/04/18/81/1038041881.db2.gz JPGVRPVIQCCHDZ-UHFFFAOYSA-N -1 0 346.770 3.563 20 0 EHADRM CC(C)C[C@H]1CCCN1C(=O)c1cc(F)cc(Br)c1[O-] ZINC000416146980 1038225698 /nfs/dbraw/zinc/22/56/98/1038225698.db2.gz QNNLAIHRXSXJNM-LLVKDONJSA-N -1 0 344.224 3.945 20 0 EHADRM C[C@@H]1CC[C@H](C)CN1C(=O)c1cc(F)cc(Br)c1[O-] ZINC000416171287 1038259848 /nfs/dbraw/zinc/25/98/48/1038259848.db2.gz PENIBVQOSSLXNQ-DTWKUNHWSA-N -1 0 330.197 3.554 20 0 EHADRM Cc1cnc([C@@H](C)Sc2n[n-]c(=Nc3ccccc3F)s2)o1 ZINC000536536194 1038324688 /nfs/dbraw/zinc/32/46/88/1038324688.db2.gz ZVYQTBPWPRRQLA-SECBINFHSA-N -1 0 336.417 3.992 20 0 EHADRM C[C@@H](CNC(=O)CCc1ccccc1C(=O)[O-])c1ccc(F)cc1F ZINC000538582850 1038404914 /nfs/dbraw/zinc/40/49/14/1038404914.db2.gz PHGICALCQFXZJT-LBPRGKRZSA-N -1 0 347.361 3.516 20 0 EHADRM COc1ccc(S[C@@H](C)C(=O)Nc2cc(C(C)=O)ccc2[O-])cc1 ZINC000538650320 1038455007 /nfs/dbraw/zinc/45/50/07/1038455007.db2.gz QVOHJYFUTUHAKH-LBPRGKRZSA-N -1 0 345.420 3.723 20 0 EHADRM Cc1ccccc1CS(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F ZINC000538668916 1038462254 /nfs/dbraw/zinc/46/22/54/1038462254.db2.gz UQBKGUDFQROWDL-ZDUSSCGKSA-N -1 0 337.407 3.782 20 0 EHADRM CCCc1nc(=N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)s[n-]1 ZINC000461954349 1038692912 /nfs/dbraw/zinc/69/29/12/1038692912.db2.gz CYOLUNNFKOPAEV-GXTWGEPZSA-N -1 0 341.839 3.647 20 0 EHADRM CS[C@@H](C)CCC(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000539130763 1038704036 /nfs/dbraw/zinc/70/40/36/1038704036.db2.gz NXFKOVSLLRFWQE-VIFPVBQESA-N -1 0 341.889 3.751 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)c1 ZINC000462104237 1038751157 /nfs/dbraw/zinc/75/11/57/1038751157.db2.gz SJVNJSXRSXXJQQ-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM CC1(CC(=O)N2CCC(c3ncc(C(=O)[O-])s3)CC2)CCCC1 ZINC000910213126 1038779865 /nfs/dbraw/zinc/77/98/65/1038779865.db2.gz VZTTZNOIBJFRJU-UHFFFAOYSA-N -1 0 336.457 3.518 20 0 EHADRM CCCCCC[N@H+](C)CC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC000910360956 1038856986 /nfs/dbraw/zinc/85/69/86/1038856986.db2.gz VPLKSSOAASLDKJ-UHFFFAOYSA-N -1 0 342.439 3.989 20 0 EHADRM C/C=C(/C=C/C(=O)N1CCC(c2nc(C)c(C(=O)[O-])s2)CC1)CC ZINC000910356290 1038879545 /nfs/dbraw/zinc/87/95/45/1038879545.db2.gz FMYXEEKTHABPPX-AUZHDWFHSA-N -1 0 348.468 3.768 20 0 EHADRM CC(C)(C)SCC(=O)N[C@H](CC(=O)[O-])c1ccccc1Cl ZINC000910400874 1038882953 /nfs/dbraw/zinc/88/29/53/1038882953.db2.gz HPYFIDAXJKSEHP-GFCCVEGCSA-N -1 0 329.849 3.504 20 0 EHADRM C[C@@H](Cc1n[n-]c(=NCc2ccc(-c3cc[nH]n3)o2)o1)CC(C)(C)C ZINC000432727121 1038931768 /nfs/dbraw/zinc/93/17/68/1038931768.db2.gz HTMSQMKLOQJRAB-LBPRGKRZSA-N -1 0 343.431 3.702 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN1C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000910504364 1038951359 /nfs/dbraw/zinc/95/13/59/1038951359.db2.gz AWWFOYXFILIGCO-PMTKGXAQSA-N -1 0 329.440 3.805 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CC(C)(C)CC(F)(F)F ZINC000910503658 1038952381 /nfs/dbraw/zinc/95/23/81/1038952381.db2.gz HLLNFLLDEUWINI-UHFFFAOYSA-N -1 0 339.398 3.951 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N2CCC[C@@H](c3ccccc3)C2)s1 ZINC000432734920 1038955354 /nfs/dbraw/zinc/95/53/54/1038955354.db2.gz ZCEHHVCFNZTSLT-OAHLLOKOSA-N -1 0 344.484 3.570 20 0 EHADRM COc1ccc(Nc2ccsc2C(=O)[O-])cc1Br ZINC001215393942 1038963279 /nfs/dbraw/zinc/96/32/79/1038963279.db2.gz BNJOPJWMOKOHKB-UHFFFAOYSA-N -1 0 328.187 3.961 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(C2CC2)nc1C ZINC000910621890 1038990063 /nfs/dbraw/zinc/99/00/63/1038990063.db2.gz NTVFQQLGUDCMBD-UHFFFAOYSA-N -1 0 340.379 3.617 20 0 EHADRM Cc1cccc(N=c2[n-]nc(SCc3nnc(C(C)C)[nH]3)s2)c1 ZINC000488234276 1038991942 /nfs/dbraw/zinc/99/19/42/1038991942.db2.gz PBBVMOFAFIFTLN-UHFFFAOYSA-N -1 0 346.485 3.546 20 0 EHADRM CCC(C)(C)c1ccc([N-]S(=O)(=O)c2c(Cl)cnn2C)cc1 ZINC000485391620 1038994196 /nfs/dbraw/zinc/99/41/96/1038994196.db2.gz BZSLWSRZVGKQSS-UHFFFAOYSA-N -1 0 341.864 3.562 20 0 EHADRM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)CC1(C(=O)[O-])CCCCC1 ZINC000324086352 1039012509 /nfs/dbraw/zinc/01/25/09/1039012509.db2.gz AMNHUPFSJOVXLK-LLVKDONJSA-N -1 0 335.366 3.601 20 0 EHADRM Cc1ccccc1C1(C(=O)Nc2ncc(CC(=O)[O-])s2)CCCC1 ZINC000910670733 1039013437 /nfs/dbraw/zinc/01/34/37/1039013437.db2.gz RHBWNHDSBYVJFI-UHFFFAOYSA-N -1 0 344.436 3.529 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)[C@@H]2CCCC3(CC3)C2)nc1C(=O)[O-] ZINC000910720733 1039029091 /nfs/dbraw/zinc/02/90/91/1039029091.db2.gz LYIONBDZSGSJDG-OLZOCXBDSA-N -1 0 348.468 3.784 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)[C@H]2CCC[C@@H](C)C2)nc1C(=O)[O-] ZINC000910727755 1039035603 /nfs/dbraw/zinc/03/56/03/1039035603.db2.gz AKAHYLYXTFTZLK-WXHSDQCUSA-N -1 0 336.457 3.640 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2C2CCCC2)nc1C(=O)[O-] ZINC000910716655 1039056016 /nfs/dbraw/zinc/05/60/16/1039056016.db2.gz AIZSLYYUEHZDPJ-RDBSUJKOSA-N -1 0 348.468 3.640 20 0 EHADRM CC(C)Oc1ccc(CNc2ccc3cnn(CC(=O)[O-])c3c2)cc1 ZINC000905750498 1039059385 /nfs/dbraw/zinc/05/93/85/1039059385.db2.gz GHUYXYLDGZWYGR-UHFFFAOYSA-N -1 0 339.395 3.520 20 0 EHADRM CN(c1ccccc1)c1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cn1 ZINC000500617529 1039070922 /nfs/dbraw/zinc/07/09/22/1039070922.db2.gz ONDKVRPGJBHFLX-UHFFFAOYSA-N -1 0 347.374 3.800 20 0 EHADRM C[C@H](CSc1ccc(F)cc1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000500619057 1039073737 /nfs/dbraw/zinc/07/37/37/1039073737.db2.gz UFNIZEUNMDZDJB-LLVKDONJSA-N -1 0 333.384 3.891 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)NCc2ncc(C(=O)[O-])s2)cc1 ZINC000910820864 1039096524 /nfs/dbraw/zinc/09/65/24/1039096524.db2.gz VLPYJLPPBMWVDQ-GFCCVEGCSA-N -1 0 346.452 3.775 20 0 EHADRM CC(C)(CNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)CC(=O)[O-] ZINC000910822280 1039097428 /nfs/dbraw/zinc/09/74/28/1039097428.db2.gz SPWJBMHHXNHTHX-UHFFFAOYSA-N -1 0 343.210 3.705 20 0 EHADRM CC(C)Cc1ccc(CCCC(=O)NC2CC(CC(=O)[O-])C2)cc1 ZINC000910807487 1039103628 /nfs/dbraw/zinc/10/36/28/1039103628.db2.gz FHFWPLYTEJAYFH-UHFFFAOYSA-N -1 0 331.456 3.577 20 0 EHADRM CCOc1ccc(CC[N@H+](C)Cc2cc(C(=O)[O-])c(CC)o2)cc1 ZINC000905809295 1039113365 /nfs/dbraw/zinc/11/33/65/1039113365.db2.gz ZVLVNTZIEJPIQR-UHFFFAOYSA-N -1 0 331.412 3.613 20 0 EHADRM C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(CC(=O)[O-])c1 ZINC000910934764 1039144103 /nfs/dbraw/zinc/14/41/03/1039144103.db2.gz BJHLMQQIUSSADM-HNAYVOBHSA-N -1 0 337.419 3.722 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N(Cc2cccc(F)c2)C2CCC2)CC1 ZINC000910952484 1039155212 /nfs/dbraw/zinc/15/52/12/1039155212.db2.gz VGMVCNFQIPCJLS-UHFFFAOYSA-N -1 0 347.430 3.988 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1C[C@H]1c1ccccc1OC ZINC000910961500 1039159359 /nfs/dbraw/zinc/15/93/59/1039159359.db2.gz VBSGMEJQDRGSGK-HOTGVXAUSA-N -1 0 339.391 3.698 20 0 EHADRM CCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2CC)cc1OC ZINC000910960718 1039160662 /nfs/dbraw/zinc/16/06/62/1039160662.db2.gz FWMNLZFWTLKPAV-UHFFFAOYSA-N -1 0 343.379 3.607 20 0 EHADRM CCc1c(C(=O)Nc2ccc(C(=O)[O-])cc2CC)[nH]c(C)c1C(C)=O ZINC000910960435 1039160680 /nfs/dbraw/zinc/16/06/80/1039160680.db2.gz COVSNWMWVKIYKA-UHFFFAOYSA-N -1 0 342.395 3.601 20 0 EHADRM C[C@H](CC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)CC1)C1CCCCC1 ZINC000911018793 1039186086 /nfs/dbraw/zinc/18/60/86/1039186086.db2.gz MCSWSKPPMUEEPX-GFCCVEGCSA-N -1 0 349.393 3.849 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCC[C@]1(C)Cc1cc(Cl)cs1 ZINC000911061567 1039219475 /nfs/dbraw/zinc/21/94/75/1039219475.db2.gz JUFXUOSBGOEANA-MEDUHNTESA-N -1 0 343.876 3.826 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CCC[C@]1(C)Cc1cccs1 ZINC000911061551 1039219733 /nfs/dbraw/zinc/21/97/33/1039219733.db2.gz JHADXUIYPIOMCB-QGZVFWFLSA-N -1 0 333.409 3.585 20 0 EHADRM C[C@]1(Cc2cccs2)CCCN1C(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000911060321 1039219794 /nfs/dbraw/zinc/21/97/94/1039219794.db2.gz CJLLMNJBZVIQTH-RVKKMQEKSA-N -1 0 335.469 3.563 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCC[C@]1(C)Cc1cc(Cl)cs1 ZINC000911061565 1039220139 /nfs/dbraw/zinc/22/01/39/1039220139.db2.gz JUFXUOSBGOEANA-BDJLRTHQSA-N -1 0 343.876 3.826 20 0 EHADRM CC(C)c1csc([C@@H]2CCCN(C(=O)c3ccc(C(=O)[O-])o3)C2)n1 ZINC000236875495 1039270910 /nfs/dbraw/zinc/27/09/10/1039270910.db2.gz YVYFQJVZYPCAHP-LLVKDONJSA-N -1 0 348.424 3.578 20 0 EHADRM CN(C)c1ccc(NC(=O)CC(C)(C)CC(=O)[O-])c(C(F)(F)F)c1 ZINC000911226794 1039303039 /nfs/dbraw/zinc/30/30/39/1039303039.db2.gz JQBJNNQWHWVBGH-UHFFFAOYSA-N -1 0 346.349 3.601 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N2CCCCC[C@@H]2c2ccncc2)CC1 ZINC000911235356 1039304202 /nfs/dbraw/zinc/30/42/02/1039304202.db2.gz YEJWCGCOPQGGKF-VMWRSERWSA-N -1 0 344.455 3.806 20 0 EHADRM CCc1c([N-]S(=O)(=O)c2ccc(C)cc2)cnn1C(CC)CC ZINC000480224603 1039322961 /nfs/dbraw/zinc/32/29/61/1039322961.db2.gz JHEIESNIDVMZHW-UHFFFAOYSA-N -1 0 335.473 3.916 20 0 EHADRM O=C(CCc1ccc(-c2ccccc2)o1)[N-]S(=O)(=O)CCCF ZINC000080313311 1039328834 /nfs/dbraw/zinc/32/88/34/1039328834.db2.gz JHSFTXLAPZVRMJ-UHFFFAOYSA-N -1 0 339.388 3.525 20 0 EHADRM Cc1cc(F)ccc1[C@H]1CCCN1C(=O)c1cc(C(=O)[O-])cnc1C ZINC000911400893 1039354513 /nfs/dbraw/zinc/35/45/13/1039354513.db2.gz ZTGHUOURZFAZHJ-QGZVFWFLSA-N -1 0 342.370 3.513 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000237392213 1039355548 /nfs/dbraw/zinc/35/55/48/1039355548.db2.gz NZQSOGRRLBCNSX-WDEREUQCSA-N -1 0 331.334 3.569 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@@H](C)c1cccc(F)c1 ZINC000237439548 1039363461 /nfs/dbraw/zinc/36/34/61/1039363461.db2.gz FKXOHVJAWOBTCQ-GUYCJALGSA-N -1 0 329.371 3.570 20 0 EHADRM CCC1(C(=O)NOCc2ccc(F)cc2Br)CCC1 ZINC000781879090 1039369366 /nfs/dbraw/zinc/36/93/66/1039369366.db2.gz HLFFWZZEPUPNIA-UHFFFAOYSA-N -1 0 330.197 3.716 20 0 EHADRM C[C@H](CC(=O)N[C@@H](C)CCC(=O)[O-])c1ccccc1C(F)(F)F ZINC000237506465 1039376111 /nfs/dbraw/zinc/37/61/11/1039376111.db2.gz UPJYZGFMEHOLGA-MNOVXSKESA-N -1 0 331.334 3.569 20 0 EHADRM Cc1nc(C(F)(F)F)ccc1C(=O)NCCCCCCCC(=O)[O-] ZINC000237566520 1039387825 /nfs/dbraw/zinc/38/78/25/1039387825.db2.gz LULIXCGMIPDYKK-UHFFFAOYSA-N -1 0 346.349 3.564 20 0 EHADRM Cc1cc(NC(=O)CC(C)(C)C(=O)[O-])ccc1Oc1cccnc1 ZINC000237743955 1039421880 /nfs/dbraw/zinc/42/18/80/1039421880.db2.gz ZDBNGBSUCRMAHI-UHFFFAOYSA-N -1 0 328.368 3.622 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000237789346 1039428704 /nfs/dbraw/zinc/42/87/04/1039428704.db2.gz JYJHDPSTBQXPTD-CABCVRRESA-N -1 0 329.421 3.816 20 0 EHADRM Cc1nc2c(nccc2C(=O)Nc2cc(Cl)cc(Cl)c2[O-])[nH]1 ZINC000437000635 1039441287 /nfs/dbraw/zinc/44/12/87/1039441287.db2.gz JCLAJQZNTWSBNT-UHFFFAOYSA-N -1 0 337.166 3.531 20 0 EHADRM CCCc1nc(C)c(C(=O)Nc2cc(C(=O)[O-])c(C)cc2F)s1 ZINC000911680245 1039454710 /nfs/dbraw/zinc/45/47/10/1039454710.db2.gz CLPCAWXVFKKHIY-UHFFFAOYSA-N -1 0 336.388 3.802 20 0 EHADRM C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000911680517 1039455226 /nfs/dbraw/zinc/45/52/26/1039455226.db2.gz YGRLQSTXLURCCQ-RISCZKNCSA-N -1 0 343.345 3.507 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])o1 ZINC000326654457 1039474332 /nfs/dbraw/zinc/47/43/32/1039474332.db2.gz BSOCOOAEXFODFT-XLTGGDBASA-N -1 0 345.439 3.580 20 0 EHADRM CC(C)N(C)c1ccccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000500822150 1039548038 /nfs/dbraw/zinc/54/80/38/1039548038.db2.gz KBYIFZQNCHMNHC-UHFFFAOYSA-N -1 0 340.395 3.610 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)N=c1ccc(C2CC2)n[n-]1)c1cccc(F)c1 ZINC000448160403 1039637686 /nfs/dbraw/zinc/63/76/86/1039637686.db2.gz OAHHHBPLDGIZRO-KRWDZBQOSA-N -1 0 342.418 3.824 20 0 EHADRM CC[C@@H](CN(CC)C(=O)N=c1cc(C)c(C)n[n-]1)c1ccccc1 ZINC000480567516 1039707975 /nfs/dbraw/zinc/70/79/75/1039707975.db2.gz LUQGZERDRKLMHV-INIZCTEOSA-N -1 0 326.444 3.563 20 0 EHADRM O=S(=O)(N[C@H]1C[C@@H]1c1ccccc1)c1cc(Cl)sc1Cl ZINC000063186972 1039716615 /nfs/dbraw/zinc/71/66/15/1039716615.db2.gz UXWNBJKCGDUWRV-ZJUUUORDSA-N -1 0 348.276 3.889 20 0 EHADRM CCOc1c(Cl)cccc1CN=c1[n-]nc(C(F)(F)F)s1 ZINC000485954714 1039736508 /nfs/dbraw/zinc/73/65/08/1039736508.db2.gz HVXHNANIROSQQK-UHFFFAOYSA-N -1 0 337.754 3.643 20 0 EHADRM Cc1nc([C@H](C)NC(=O)C[C@H](C)c2ccccc2)sc1C(=O)[O-] ZINC000237504614 1039741502 /nfs/dbraw/zinc/74/15/02/1039741502.db2.gz FYGHDJNHZLYBNZ-JQWIXIFHSA-N -1 0 332.425 3.521 20 0 EHADRM O=C([O-])c1cccc2oc(/C=C\c3ccnn3-c3ccccc3)nc21 ZINC000485982937 1039749631 /nfs/dbraw/zinc/74/96/31/1039749631.db2.gz LHUCPMJMJKBKON-KTKRTIGZSA-N -1 0 331.331 3.882 20 0 EHADRM O=C([O-])c1cc(/C=C\c2cocn2)nc2cc(Br)ccc21 ZINC000478922879 1039819133 /nfs/dbraw/zinc/81/91/33/1039819133.db2.gz NBLCKKFEXOCMRR-IHWYPQMZSA-N -1 0 345.152 3.854 20 0 EHADRM O=C([O-])CC1(NC(=O)c2ccc(OCC3CCCCC3)cc2)CCC1 ZINC000486044662 1039819694 /nfs/dbraw/zinc/81/96/94/1039819694.db2.gz ZWULJGCDOKBDHA-UHFFFAOYSA-N -1 0 345.439 3.773 20 0 EHADRM O=C(NCc1ccccc1OCc1ccccc1)C(F)(F)C(F)F ZINC000310361913 1039826758 /nfs/dbraw/zinc/82/67/58/1039826758.db2.gz TXNSHKKWHZSNJX-UHFFFAOYSA-N -1 0 341.304 3.782 20 0 EHADRM Cc1nc(CNCc2cscc2C(F)(F)F)sc1C(=O)[O-] ZINC000417535978 1039958459 /nfs/dbraw/zinc/95/84/59/1039958459.db2.gz CXLUJTZZLHVQSB-UHFFFAOYSA-N -1 0 336.360 3.520 20 0 EHADRM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2c(C)cccc2F)n[nH]1 ZINC000479139032 1039988135 /nfs/dbraw/zinc/98/81/35/1039988135.db2.gz IPJKURQKWBLBEU-JTQLQIEISA-N -1 0 325.409 3.562 20 0 EHADRM Cc1cc(Br)c(CN[C@H](C(=O)[O-])c2cccs2)s1 ZINC000417553213 1039994538 /nfs/dbraw/zinc/99/45/38/1039994538.db2.gz GXFIFZBZRPZZMJ-NSHDSACASA-N -1 0 346.271 3.796 20 0 EHADRM CCCc1csc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)n1 ZINC000417569825 1040004211 /nfs/dbraw/zinc/00/42/11/1040004211.db2.gz VIIHJRWHWFVAMO-CQSZACIVSA-N -1 0 342.823 3.804 20 0 EHADRM CCCn1cc(CN[C@@H](C(=O)[O-])c2c(Cl)cccc2Cl)cn1 ZINC000417563713 1040009990 /nfs/dbraw/zinc/00/99/90/1040009990.db2.gz NTDRYTOPFKLEAR-CQSZACIVSA-N -1 0 342.226 3.515 20 0 EHADRM Cc1cccc([C@@H](NCc2cnc([C@@H]3CCCO3)s2)C(=O)[O-])c1C ZINC000417565090 1040013687 /nfs/dbraw/zinc/01/36/87/1040013687.db2.gz PESGZDHXEFFLKY-JKSUJKDBSA-N -1 0 346.452 3.527 20 0 EHADRM CC(C)Cn1cc(CNc2cc(C(=O)[O-])ccc2OC(C)C)cn1 ZINC000417567981 1040016173 /nfs/dbraw/zinc/01/61/73/1040016173.db2.gz OLZLVZPMZDGOOX-UHFFFAOYSA-N -1 0 331.416 3.637 20 0 EHADRM CCc1cnc(CN[C@@H](Cc2cccc3ccccc32)C(=O)[O-])s1 ZINC000417582442 1040033704 /nfs/dbraw/zinc/03/37/04/1040033704.db2.gz IGNSRZQONGGFDA-KRWDZBQOSA-N -1 0 340.448 3.644 20 0 EHADRM C[C@@H](OC(C)(C)C)[C@H](NCc1ccc(Oc2ccccc2)o1)C(=O)[O-] ZINC000417585636 1040035815 /nfs/dbraw/zinc/03/58/15/1040035815.db2.gz PQIGZSDKUSOTNF-DYVFJYSZSA-N -1 0 347.411 3.818 20 0 EHADRM CCO[C@@H]1C[C@@H](N=c2[n-]c(C(F)(F)F)ns2)C12CCCCC2 ZINC000553410708 1040051347 /nfs/dbraw/zinc/05/13/47/1040051347.db2.gz NWGUKJCLHVZVIN-NXEZZACHSA-N -1 0 335.395 3.519 20 0 EHADRM CCN(Cc1cccs1)C(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000322118192 1040080265 /nfs/dbraw/zinc/08/02/65/1040080265.db2.gz QOPHLRKOEFTXCR-GOSISDBHSA-N -1 0 331.437 3.529 20 0 EHADRM C[C@@H](CC(=O)[O-])c1ccc(NCc2cn(C)nc2C(C)(C)C)cc1 ZINC000417614409 1040082631 /nfs/dbraw/zinc/08/26/31/1040082631.db2.gz VOXUQAJVQOUCTC-ZDUSSCGKSA-N -1 0 329.444 3.908 20 0 EHADRM N=c1[n-]nc(S[C@@H](c2ccc(Cl)cc2)C2CCOCC2)s1 ZINC000584851934 1040101865 /nfs/dbraw/zinc/10/18/65/1040101865.db2.gz DLXFCDSRDOCUCP-LBPRGKRZSA-N -1 0 341.889 3.864 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1cc(-n2cccc2)ccc1Cl ZINC000907581085 1040102054 /nfs/dbraw/zinc/10/20/54/1040102054.db2.gz FIXHTCSQYURWAD-UHFFFAOYSA-N -1 0 348.830 3.896 20 0 EHADRM N=c1[n-]nc(S[C@H](c2ccc(Cl)cc2)C2CCOCC2)s1 ZINC000584851933 1040102247 /nfs/dbraw/zinc/10/22/47/1040102247.db2.gz DLXFCDSRDOCUCP-GFCCVEGCSA-N -1 0 341.889 3.864 20 0 EHADRM Fc1ccc(Cc2n[n-]c(=NC[C@H]3CCC(F)(F)C3)s2)cc1 ZINC000584852588 1040104721 /nfs/dbraw/zinc/10/47/21/1040104721.db2.gz LCRGTIDTKOGSFN-NSHDSACASA-N -1 0 327.375 3.537 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)c2cc(C3CC3)oc2C2CC2)c1 ZINC000907623679 1040108999 /nfs/dbraw/zinc/10/89/99/1040108999.db2.gz KUNDPOSKWJQIFN-UHFFFAOYSA-N -1 0 339.391 3.705 20 0 EHADRM Clc1ccc(Cc2n[n-]c(=N[C@@H]3CCOC4(CCC4)C3)s2)cc1 ZINC000489642315 1040117185 /nfs/dbraw/zinc/11/71/85/1040117185.db2.gz QEHXSJGTZGKYJM-CQSZACIVSA-N -1 0 349.887 3.718 20 0 EHADRM C[C@H](Sc1ccc(NCc2ccc3c(c2)CCO3)cc1)C(=O)[O-] ZINC000417659464 1040124041 /nfs/dbraw/zinc/12/40/41/1040124041.db2.gz PFVUVQPOSIJYAP-LBPRGKRZSA-N -1 0 329.421 3.799 20 0 EHADRM Cc1cc(Cl)ccc1NC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000553517357 1040143598 /nfs/dbraw/zinc/14/35/98/1040143598.db2.gz MWGIMYNHVPJKLQ-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM Cc1ccc(F)c2oc(C(=O)N3CC[C@H](C(=O)[O-])[C@H]4CCC[C@@H]43)cc21 ZINC000907735010 1040150574 /nfs/dbraw/zinc/15/05/74/1040150574.db2.gz DTPSJNQFXUZKFM-XUJVJEKNSA-N -1 0 345.370 3.596 20 0 EHADRM O=C([O-])Cn1ncc2ccc(NC(=O)c3ccccc3C3CCC3)cc21 ZINC000907788267 1040173266 /nfs/dbraw/zinc/17/32/66/1040173266.db2.gz IVQNXHTUBMRISK-UHFFFAOYSA-N -1 0 349.390 3.641 20 0 EHADRM Fc1cc(CN=c2[n-]nc(-c3ccccn3)s2)c(F)cc1Cl ZINC000432921331 1040181024 /nfs/dbraw/zinc/18/10/24/1040181024.db2.gz AVKOCDSTPKSHLI-UHFFFAOYSA-N -1 0 338.770 3.566 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)NCCCCCC(=O)[O-] ZINC000417731806 1040202465 /nfs/dbraw/zinc/20/24/65/1040202465.db2.gz GJQKSGQVUMSXAJ-UHFFFAOYSA-N -1 0 342.823 3.895 20 0 EHADRM CC(C)(C)c1nc(=NC[C@@H]2CCCN(c3ccccc3)C2)s[n-]1 ZINC000432935213 1040214959 /nfs/dbraw/zinc/21/49/59/1040214959.db2.gz ZRBWMOGQGDGFKC-AWEZNQCLSA-N -1 0 330.501 3.586 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2C)cc1 ZINC000312561425 1040228122 /nfs/dbraw/zinc/22/81/22/1040228122.db2.gz YHWOQPCBCDJHSG-UHFFFAOYSA-N -1 0 328.846 3.566 20 0 EHADRM C[C@@H](c1ccc(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)cc1)C(F)(F)F ZINC000908035861 1040273786 /nfs/dbraw/zinc/27/37/86/1040273786.db2.gz TXZPCUSJASSXEU-GXFFZTMASA-N -1 0 345.361 3.972 20 0 EHADRM CCC[C@@H](C)Sc1n[n-]c(=Nc2cccc(NC(C)=O)c2)s1 ZINC000481031905 1040276763 /nfs/dbraw/zinc/27/67/63/1040276763.db2.gz BKNFEZKWYGXPMC-SNVBAGLBSA-N -1 0 336.486 3.943 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1cccc2ccc(O)cc21 ZINC000479487054 1040288549 /nfs/dbraw/zinc/28/85/49/1040288549.db2.gz GQMHKPZPHXVEFY-UHFFFAOYSA-N -1 0 331.368 3.794 20 0 EHADRM CN(C(=O)c1ccc(OC(C)(C)C)cc1)c1cccc(CC(=O)[O-])c1 ZINC000908081079 1040289672 /nfs/dbraw/zinc/28/96/72/1040289672.db2.gz WLQZTJRVDFXQHQ-UHFFFAOYSA-N -1 0 341.407 3.768 20 0 EHADRM CN(C(=O)C1(c2ccc(F)cc2)CCC1)c1cccc(CC(=O)[O-])c1 ZINC000908078897 1040290319 /nfs/dbraw/zinc/29/03/19/1040290319.db2.gz SZLYNLZWMFPEOQ-UHFFFAOYSA-N -1 0 341.382 3.538 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Nc1nc(C2CCC2)cs1 ZINC000899312932 1040313718 /nfs/dbraw/zinc/31/37/18/1040313718.db2.gz CEMSPVXJGUZPNI-GFCCVEGCSA-N -1 0 337.445 3.662 20 0 EHADRM Cc1coc2ccc(NC(=O)N3CCCC[C@@H]3CCC(=O)[O-])cc12 ZINC000899312659 1040314173 /nfs/dbraw/zinc/31/41/73/1040314173.db2.gz ZYFQOBOTRHKHSY-CQSZACIVSA-N -1 0 330.384 3.992 20 0 EHADRM CC(C)c1ccccc1C(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC000908173196 1040316349 /nfs/dbraw/zinc/31/63/49/1040316349.db2.gz JQNXEYAETRNIFN-BIWSTMPVSA-N -1 0 347.480 3.669 20 0 EHADRM c1c2ccccc2sc1CCN=c1[n-]nc(C2CCOCC2)s1 ZINC000555232047 1040319048 /nfs/dbraw/zinc/31/90/48/1040319048.db2.gz NCDOCCYFAXWRJB-UHFFFAOYSA-N -1 0 345.493 3.723 20 0 EHADRM Fc1ccccc1[C@@H]1CC[C@H](N=c2[n-]nc(-c3ccccn3)s2)C1 ZINC000481082649 1040337054 /nfs/dbraw/zinc/33/70/54/1040337054.db2.gz AJBURAXMOIFANH-OLZOCXBDSA-N -1 0 340.427 3.909 20 0 EHADRM O=c1c(C(F)(F)F)c(C2CC2)[n-]n1[C@@H]1CCc2c1cccc2F ZINC000899356295 1040366284 /nfs/dbraw/zinc/36/62/84/1040366284.db2.gz JICMYVUYHFATTN-CHWSQXEVSA-N -1 0 326.293 3.600 20 0 EHADRM C[C@H]1CCN(C(=O)c2n[n-]c3ccccc3c2=O)[C@H]1c1ccccc1 ZINC000899375681 1040392598 /nfs/dbraw/zinc/39/25/98/1040392598.db2.gz MGAKRUXQDNVMGE-SCLBCKFNSA-N -1 0 333.391 3.559 20 0 EHADRM COc1ccc(C(=O)NCCCCC2(C(=O)[O-])CCC2)cc1Cl ZINC000908332816 1040396095 /nfs/dbraw/zinc/39/60/95/1040396095.db2.gz KPKLZFVUPPWVNN-UHFFFAOYSA-N -1 0 339.819 3.504 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)c2ccn(C3CCCCC3)n2)CCC1 ZINC000908329392 1040409505 /nfs/dbraw/zinc/40/95/05/1040409505.db2.gz QUAOIZCNRGFNCT-UHFFFAOYSA-N -1 0 347.459 3.543 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C1 ZINC000908366169 1040414744 /nfs/dbraw/zinc/41/47/44/1040414744.db2.gz SPKPBLHRCUDKHU-QAPCUYQASA-N -1 0 337.419 3.578 20 0 EHADRM CCC(CC)[C@@H](C)C(=O)Nc1ccc(-n2[n-]c(C3CC3)cc2=O)nc1 ZINC000912865185 1040419884 /nfs/dbraw/zinc/41/98/84/1040419884.db2.gz BMJLUBSUVODJON-GFCCVEGCSA-N -1 0 342.443 3.595 20 0 EHADRM Cc1ccc2c(ccc(C)c2C(=O)N[C@@H]2CC[C@H](CC(=O)[O-])C2)c1 ZINC000908378227 1040422784 /nfs/dbraw/zinc/42/27/84/1040422784.db2.gz FIVONKVSKNNKDD-GOEBONIOSA-N -1 0 325.408 3.830 20 0 EHADRM CC[C@H](CC(=O)Nc1ccc(-n2[n-]c(C3CC3)cc2=O)nc1)C(C)C ZINC000912867971 1040423889 /nfs/dbraw/zinc/42/38/89/1040423889.db2.gz OZNPIEJFLUBCHA-CYBMUJFWSA-N -1 0 342.443 3.595 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)c2cc(-n3cccc3)ccc2Cl)C1 ZINC000908387535 1040444071 /nfs/dbraw/zinc/44/40/71/1040444071.db2.gz UNASAYVSMLCHOG-OLZOCXBDSA-N -1 0 346.814 3.504 20 0 EHADRM O=C([O-])Cc1csc(NC(=O)CCCc2ccc(C3CC3)cc2)n1 ZINC000908581163 1040508554 /nfs/dbraw/zinc/50/85/54/1040508554.db2.gz IJCABQGLDRCTET-UHFFFAOYSA-N -1 0 344.436 3.609 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CC[C@@]2(CO)CCC[C@@H]12 ZINC000899437896 1040512063 /nfs/dbraw/zinc/51/20/63/1040512063.db2.gz DNVWFFBZJRQMCR-VQIMIIECSA-N -1 0 345.826 3.576 20 0 EHADRM CC(C)=CC[C@@H](NC(=O)Nc1cccc(C(C)(F)F)c1)C(=O)[O-] ZINC000908626238 1040537579 /nfs/dbraw/zinc/53/75/79/1040537579.db2.gz VPCWMRJKDRZDJQ-CYBMUJFWSA-N -1 0 326.343 3.729 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCCCc1ccccc1)c1cccs1 ZINC000908636279 1040541992 /nfs/dbraw/zinc/54/19/92/1040541992.db2.gz AMMJJLZIVMORLG-HNNXBMFYSA-N -1 0 331.437 3.793 20 0 EHADRM CCCn1ccc2cc(NC(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)[O-])ccc21 ZINC000908619124 1040548509 /nfs/dbraw/zinc/54/85/09/1040548509.db2.gz BPVKQDIBUZNDBL-LXZKKBNFSA-N -1 0 341.411 3.521 20 0 EHADRM CCCN(C)c1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000908641846 1040550152 /nfs/dbraw/zinc/55/01/52/1040550152.db2.gz MEVLUZIDWFIDMJ-OAHLLOKOSA-N -1 0 346.452 3.540 20 0 EHADRM Cc1c(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cnn1CCC(C)C ZINC000908689185 1040576965 /nfs/dbraw/zinc/57/69/65/1040576965.db2.gz UUKYDSSGOSWSMR-UHFFFAOYSA-N -1 0 349.818 3.842 20 0 EHADRM C[C@@](CCF)(NC(=O)Nc1ncc(C2CCCCC2)s1)C(=O)[O-] ZINC000908679092 1040586677 /nfs/dbraw/zinc/58/66/77/1040586677.db2.gz UGTASXLUCMQBDS-HNNXBMFYSA-N -1 0 343.424 3.515 20 0 EHADRM COc1cccc(Cc2n[n-]c(=NCc3ccc(Cl)c(C)c3)o2)c1 ZINC000479774209 1040593513 /nfs/dbraw/zinc/59/35/13/1040593513.db2.gz LNCVUTJFNWPTFA-UHFFFAOYSA-N -1 0 343.814 3.665 20 0 EHADRM CC1(C)CCc2cc(CN=c3[n-]nc(Cc4ccccc4)o3)ccc2O1 ZINC000479783517 1040620924 /nfs/dbraw/zinc/62/09/24/1040620924.db2.gz WZZZPTFGQWGXLN-UHFFFAOYSA-N -1 0 349.434 3.798 20 0 EHADRM O=C([O-])Cc1c2ccccc2[nH]c1C(=O)N(C1CC1)C1CCCCC1 ZINC000908754046 1040633878 /nfs/dbraw/zinc/63/38/78/1040633878.db2.gz LPNNNFCIGMQDBF-UHFFFAOYSA-N -1 0 340.423 3.732 20 0 EHADRM CC(C)C[C@H](C(=O)N[C@H](CC(F)F)C(=O)[O-])c1ccc(Cl)cc1 ZINC000659156790 1040705049 /nfs/dbraw/zinc/70/50/49/1040705049.db2.gz OKZPCHDKNGPFBS-QWHCGFSZSA-N -1 0 347.789 3.694 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)CC[C@H]1CC(C)(C)CO1 ZINC000908901614 1040707323 /nfs/dbraw/zinc/70/73/23/1040707323.db2.gz LTVYLCMGQZNMQC-AWEZNQCLSA-N -1 0 349.427 3.706 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)c1cc2cccc(Cl)c2s1 ZINC000569722996 1040733010 /nfs/dbraw/zinc/73/30/10/1040733010.db2.gz HHHUPUZKLBDJSA-MWLCHTKSSA-N -1 0 337.828 3.880 20 0 EHADRM Cc1cccc(NC(=O)c2s[n-]c(=O)c2Cl)c1Br ZINC000487191811 1040777163 /nfs/dbraw/zinc/77/71/63/1040777163.db2.gz WNUXTAKITANFAM-UHFFFAOYSA-N -1 0 347.621 3.825 20 0 EHADRM Cc1ccc2c(ccc(C)c2C(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC000909157478 1040832869 /nfs/dbraw/zinc/83/28/69/1040832869.db2.gz IUAOEPWDAWLJIM-UHFFFAOYSA-N -1 0 325.408 3.830 20 0 EHADRM O=C([O-])CCCCCCNC(=O)Cc1nc(-c2ccccc2)cs1 ZINC000909145573 1040843500 /nfs/dbraw/zinc/84/35/00/1040843500.db2.gz GROZLAXSRKRZEH-UHFFFAOYSA-N -1 0 346.452 3.504 20 0 EHADRM CCCc1nc(C)c(NC(=O)c2cc(F)c(F)c([O-])c2F)s1 ZINC000487272377 1040866440 /nfs/dbraw/zinc/86/64/40/1040866440.db2.gz RZRCTTINGAVQDY-UHFFFAOYSA-N -1 0 330.331 3.779 20 0 EHADRM Cc1cnc(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)cc1C ZINC000909227843 1040884603 /nfs/dbraw/zinc/88/46/03/1040884603.db2.gz ROZIQQRKWBZPCO-UHFFFAOYSA-N -1 0 344.436 3.659 20 0 EHADRM Cc1c(-c2cccc(CO[C@@H]3CCOC3)c2)ccc(F)c1C(=O)[O-] ZINC000899633214 1040885054 /nfs/dbraw/zinc/88/50/54/1040885054.db2.gz QLNJWNLJHHRKQW-OAHLLOKOSA-N -1 0 330.355 3.805 20 0 EHADRM C[C@H](C(=O)Nc1cccc(CSCCC(=O)[O-])c1)c1ccncc1 ZINC000909228707 1040885144 /nfs/dbraw/zinc/88/51/44/1040885144.db2.gz YIEFSJXWQFLGTB-ZDUSSCGKSA-N -1 0 344.436 3.532 20 0 EHADRM CC1=CC[C@](C)(C(=O)N[C@@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC000659158782 1040911194 /nfs/dbraw/zinc/91/11/94/1040911194.db2.gz FZVSNCBQYHCDJG-VPWXQRGCSA-N -1 0 329.440 3.571 20 0 EHADRM CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000512786385 1040916107 /nfs/dbraw/zinc/91/61/07/1040916107.db2.gz ZLUGQOPLOBWDPG-UHFFFAOYSA-N -1 0 347.436 3.525 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)Nc1cccc(C(F)(F)F)c1)C1CCC1 ZINC000570890324 1040967689 /nfs/dbraw/zinc/96/76/89/1040967689.db2.gz GRUHVKMTCBEAFV-SECBINFHSA-N -1 0 330.306 3.565 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000909727680 1040969020 /nfs/dbraw/zinc/96/90/20/1040969020.db2.gz FXQDWWGPHGFVDH-OAHLLOKOSA-N -1 0 347.798 3.928 20 0 EHADRM C[C@H](Sc1ccccn1)C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000163653310 1040983069 /nfs/dbraw/zinc/98/30/69/1040983069.db2.gz LQCQEWHKVDKFSB-VIFPVBQESA-N -1 0 331.422 3.631 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N2CC[C@H]2CC)s1)c1ccccc1 ZINC000433175845 1040985087 /nfs/dbraw/zinc/98/50/87/1040985087.db2.gz PIMYGEGWVMITFZ-ZIAGYGMSSA-N -1 0 330.457 3.518 20 0 EHADRM CC(C)(CC(=O)N[C@H](CC(F)F)C(=O)[O-])Cc1ccc(Cl)cc1 ZINC000909776931 1041005642 /nfs/dbraw/zinc/00/56/42/1041005642.db2.gz BGJMBIOLBXHFAB-GFCCVEGCSA-N -1 0 347.789 3.523 20 0 EHADRM Cc1ccc(CCC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000237024939 1041014000 /nfs/dbraw/zinc/01/40/00/1041014000.db2.gz GNYMBNPCZNLLNZ-UHFFFAOYSA-N -1 0 325.408 3.593 20 0 EHADRM CN(C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000555709309 1041031365 /nfs/dbraw/zinc/03/13/65/1041031365.db2.gz AFITYFMJNFZWKW-DZOHQFGASA-N -1 0 344.455 3.813 20 0 EHADRM C[C@@H](c1ccc(C(=O)NC[C@H](CC(=O)[O-])C2CC2)cc1)C(F)(F)F ZINC000909967774 1041085226 /nfs/dbraw/zinc/08/52/26/1041085226.db2.gz FXUYIMXXRJAFCI-HZMBPMFUSA-N -1 0 343.345 3.583 20 0 EHADRM CCc1cc(C(=O)N=c2nc(-c3ccsc3)[n-]s2)oc1CC ZINC000487757300 1041099945 /nfs/dbraw/zinc/09/99/45/1041099945.db2.gz YYEQZTZNTHOLKL-UHFFFAOYSA-N -1 0 333.438 3.659 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N[C@@H](C)C2CCC(F)CC2)C(=O)[O-])cc1 ZINC000899792157 1041116971 /nfs/dbraw/zinc/11/69/71/1041116971.db2.gz MQDBBPMXJPNQSH-VFNXUKNFSA-N -1 0 335.419 3.586 20 0 EHADRM COCc1cc(Cl)ccc1NC(=O)[C@H](CC(=O)[O-])CC(C)C ZINC000899787619 1041126890 /nfs/dbraw/zinc/12/68/90/1041126890.db2.gz AGMARDCVWQNMSJ-NSHDSACASA-N -1 0 327.808 3.562 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N2CCC[C@H]2c2ccsc2)C(=O)[O-])cc1 ZINC000899799531 1041136739 /nfs/dbraw/zinc/13/67/39/1041136739.db2.gz RCVNIQZNHIJJMM-SJORKVTESA-N -1 0 343.448 3.979 20 0 EHADRM CC(C)(C(=O)N1CCC([C@@H](CC(=O)[O-])c2ccccc2)CC1)C1CC1 ZINC000910033854 1041156663 /nfs/dbraw/zinc/15/66/63/1041156663.db2.gz LTGMCMJVEUDIDA-SFHVURJKSA-N -1 0 343.467 3.920 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)NC[C@H](c1ccccc1)C(F)(F)F ZINC000899822513 1041164435 /nfs/dbraw/zinc/16/44/35/1041164435.db2.gz QHLVLJZPNYGTCX-ZIAGYGMSSA-N -1 0 345.361 3.586 20 0 EHADRM Cc1ccc([C@@H](CC(=O)NC[C@@H](C)Cc2cccs2)C(=O)[O-])cc1 ZINC000899821211 1041164488 /nfs/dbraw/zinc/16/44/88/1041164488.db2.gz ZHUIPBMLBJBLIS-WMLDXEAASA-N -1 0 345.464 3.610 20 0 EHADRM CC(C)(CC(=O)N1CCc2c(cccc2C(=O)[O-])C1)CC(F)(F)F ZINC000910070908 1041178208 /nfs/dbraw/zinc/17/82/08/1041178208.db2.gz QZSARKCAKQKSNV-UHFFFAOYSA-N -1 0 343.345 3.638 20 0 EHADRM Cc1cc(F)ccc1[C@@H](C)NC(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000899833304 1041178374 /nfs/dbraw/zinc/17/83/74/1041178374.db2.gz BFLDCBPDPNPPCL-CXAGYDPISA-N -1 0 329.371 3.570 20 0 EHADRM Cc1ccc([C@H](CC(=O)N[C@@H](CF)c2ccc(F)cc2)C(=O)[O-])cc1 ZINC000899833819 1041179256 /nfs/dbraw/zinc/17/92/56/1041179256.db2.gz OZHPIPBEGGVEBV-IRXDYDNUSA-N -1 0 347.361 3.519 20 0 EHADRM CC(C)CCO[C@H]1CC[C@H](NC(=O)[C@@H](CC(=O)[O-])CC(C)C)CC1 ZINC000899827526 1041183400 /nfs/dbraw/zinc/18/34/00/1041183400.db2.gz KUFNPVDNGJIINM-BRWVUGGUSA-N -1 0 341.492 3.614 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(C(=O)C(F)(F)F)cc1 ZINC000899831023 1041190865 /nfs/dbraw/zinc/19/08/65/1041190865.db2.gz NPILYPORWDSKBN-NSHDSACASA-N -1 0 345.317 3.507 20 0 EHADRM CCC[C@@H]1CCC[C@H]1C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])cs1 ZINC000910105319 1041192591 /nfs/dbraw/zinc/19/25/91/1041192591.db2.gz UTGYZFRPQYMFHM-BZPMIXESSA-N -1 0 336.457 3.721 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)CC2(C(=O)[O-])CCCC2)c1 ZINC000899843673 1041203882 /nfs/dbraw/zinc/20/38/82/1041203882.db2.gz VOYBTNXNAGNAHT-UHFFFAOYSA-N -1 0 333.428 3.975 20 0 EHADRM Cc1coc(-c2cccc(NC(=O)N(C)C3(C(=O)[O-])CCCC3)c2)n1 ZINC000555851083 1041225660 /nfs/dbraw/zinc/22/56/60/1041225660.db2.gz HCVDILQIHSXADC-UHFFFAOYSA-N -1 0 343.383 3.511 20 0 EHADRM CC1(C)CCCN(C(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])CC1 ZINC000669189241 1041234730 /nfs/dbraw/zinc/23/47/30/1041234730.db2.gz PAASCLLXQBVTMW-UHFFFAOYSA-N -1 0 349.381 3.508 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)c(C)c1 ZINC000607102802 1041325050 /nfs/dbraw/zinc/32/50/50/1041325050.db2.gz HLVPANHDPSGMFU-UHFFFAOYSA-N -1 0 347.436 3.593 20 0 EHADRM O=C(NC1(c2ccc(Cl)cc2)CC1)c1cc(F)c(F)c([O-])c1F ZINC000509866381 1041332458 /nfs/dbraw/zinc/33/24/58/1041332458.db2.gz VYNPENSUYQFUER-UHFFFAOYSA-N -1 0 341.716 3.882 20 0 EHADRM O=C([O-])C1CCC(C(=O)NC2(c3ccccc3Cl)CCC2)CC1 ZINC000652081362 1041337439 /nfs/dbraw/zinc/33/74/39/1041337439.db2.gz PYVLOXINDADNJA-UHFFFAOYSA-N -1 0 335.831 3.726 20 0 EHADRM C[C@@H](c1ccccc1)N(C)C(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000392155662 1041358063 /nfs/dbraw/zinc/35/80/63/1041358063.db2.gz AFPSSLZCEXCVEO-MGPUTAFESA-N -1 0 325.408 3.639 20 0 EHADRM C[C@@H](N=c1[n-]nc(C2CC2)s1)c1cccc(OC(F)(F)F)c1 ZINC000432034239 1041475253 /nfs/dbraw/zinc/47/52/53/1041475253.db2.gz AAICONTYFQEOIA-MRVPVSSYSA-N -1 0 329.347 3.909 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1 ZINC000047215613 1041581629 /nfs/dbraw/zinc/58/16/29/1041581629.db2.gz WDLXTWAYHVPPEP-UHFFFAOYSA-N -1 0 331.315 3.515 20 0 EHADRM C[C@@]1(NC(=O)c2cc3cc(Cl)ccc3o2)CCCC[C@@H]1C(=O)[O-] ZINC000432126763 1041625659 /nfs/dbraw/zinc/62/56/59/1041625659.db2.gz OOINRPHHYOPFRB-SJKOYZFVSA-N -1 0 335.787 3.850 20 0 EHADRM Cc1nc([C@@H](C)N(C)Cc2n[n-]c(=O)o2)oc1-c1ccc(Cl)cc1 ZINC000660848994 1041847093 /nfs/dbraw/zinc/84/70/93/1041847093.db2.gz TXWFCYDZTXJQED-SNVBAGLBSA-N -1 0 348.790 3.585 20 0 EHADRM COc1ccc2c(c1)OCC[C@H]2N=c1nc(C2CCCC2)[n-]s1 ZINC000643184910 1042128444 /nfs/dbraw/zinc/12/84/44/1042128444.db2.gz YVIATEZZVSQZOG-CQSZACIVSA-N -1 0 331.441 3.562 20 0 EHADRM C[C@@H](NCc1n[nH]c(=O)[n-]1)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000661457491 1042132140 /nfs/dbraw/zinc/13/21/40/1042132140.db2.gz MIJVDKMOFPAGMW-KGLIPLIRSA-N -1 0 338.411 3.501 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1c1nnc(-c2ccccc2Cl)s1 ZINC000662893816 1042205557 /nfs/dbraw/zinc/20/55/57/1042205557.db2.gz PAGQFODUBHLXJP-UWVGGRQHSA-N -1 0 337.832 3.548 20 0 EHADRM CC(=O)Nc1cc(NC(=O)c2cc(F)c([O-])c(Cl)c2)ccc1F ZINC000184220720 1042321124 /nfs/dbraw/zinc/32/11/24/1042321124.db2.gz AYDCXHAORROBFF-UHFFFAOYSA-N -1 0 340.713 3.535 20 0 EHADRM Cc1ccccc1C1(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)CCC1 ZINC000653327960 1042370123 /nfs/dbraw/zinc/37/01/23/1042370123.db2.gz BTAUZJYFZIKLPJ-PKOBYXMFSA-N -1 0 349.430 3.846 20 0 EHADRM COc1ccc(F)cc1[C@H](C)NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184280037 1042403606 /nfs/dbraw/zinc/40/36/06/1042403606.db2.gz AMJNCUNVENROAT-QMMMGPOBSA-N -1 0 341.741 3.823 20 0 EHADRM Clc1ccc2c(c1Cl)OC[C@@H]2N=c1[n-]nc(C2CC2)s1 ZINC000432242648 1042412021 /nfs/dbraw/zinc/41/20/21/1042412021.db2.gz MWADJHUJMICLQS-VIFPVBQESA-N -1 0 328.224 3.690 20 0 EHADRM C[C@@H](NC(=O)[C@H](C(=O)[O-])C(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC000663077425 1042425232 /nfs/dbraw/zinc/42/52/32/1042425232.db2.gz NIUPLCBDSQYEEA-BXKDBHETSA-N -1 0 331.334 3.630 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000663091516 1042439966 /nfs/dbraw/zinc/43/99/66/1042439966.db2.gz IWDMLEWFFNDCPV-MRXNPFEDSA-N -1 0 333.428 3.831 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000663091515 1042440447 /nfs/dbraw/zinc/44/04/47/1042440447.db2.gz IWDMLEWFFNDCPV-INIZCTEOSA-N -1 0 333.428 3.831 20 0 EHADRM CN(Cc1csc(Br)c1)[C@@H](C(=O)[O-])c1ccsc1 ZINC000652398413 1042448652 /nfs/dbraw/zinc/44/86/52/1042448652.db2.gz AMOZNSNVADMAKA-LLVKDONJSA-N -1 0 346.271 3.830 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1ccc(-c2ccccc2Cl)o1)C1CCC1 ZINC000663148865 1042494202 /nfs/dbraw/zinc/49/42/02/1042494202.db2.gz VQIXBRBTGVWSAN-ZDUSSCGKSA-N -1 0 347.798 3.831 20 0 EHADRM C[C@H](C(=O)NC[C@@H](C(=O)[O-])C1CCC1)c1c(Cl)cccc1Cl ZINC000663149627 1042494935 /nfs/dbraw/zinc/49/49/35/1042494935.db2.gz YRUMGARORSKFHN-GXSJLCMTSA-N -1 0 344.238 3.714 20 0 EHADRM C[C@@H](C(=O)NC[C@@H](C(=O)[O-])C1CCC1)c1ccc2ccccc2c1 ZINC000663154929 1042497668 /nfs/dbraw/zinc/49/76/68/1042497668.db2.gz PGDCGZFJMVNLGY-FZKQIMNGSA-N -1 0 325.408 3.560 20 0 EHADRM COc1ccc(N(C(=O)c2c([O-])cccc2F)[C@H](C)C2CC2)cc1 ZINC000184509447 1042570531 /nfs/dbraw/zinc/57/05/31/1042570531.db2.gz RYXJPXYWMXHKDR-GFCCVEGCSA-N -1 0 329.371 3.985 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)NNC(=O)C2CCCC2)cc1 ZINC000053852829 1042601238 /nfs/dbraw/zinc/60/12/38/1042601238.db2.gz OOOOKYIDKFDPNK-UHFFFAOYSA-N -1 0 328.437 3.675 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)Nc1cccc2c1ccn2C(F)F)C(=O)[O-] ZINC000601993310 1042654626 /nfs/dbraw/zinc/65/46/26/1042654626.db2.gz NDLUJRJZVQJRGH-IUCAKERBSA-N -1 0 342.367 3.570 20 0 EHADRM CSc1ccc(NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])cc1Cl ZINC000601987545 1042654733 /nfs/dbraw/zinc/65/47/33/1042654733.db2.gz IFUJLWZVYQXWNY-YUMQZZPRSA-N -1 0 333.862 3.595 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN(C(=O)c2cc(F)c([O-])c(F)c2)C1 ZINC000186811638 1042710179 /nfs/dbraw/zinc/71/01/79/1042710179.db2.gz VCYPQOAPSQBMPB-LJQANCHMSA-N -1 0 331.362 3.864 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)Nc1ccc(Cl)cc1Cl)C1CCC1 ZINC000663339475 1042721803 /nfs/dbraw/zinc/72/18/03/1042721803.db2.gz VJWOCBPSUALVOG-JTQLQIEISA-N -1 0 331.199 3.616 20 0 EHADRM Cc1c(NC(=O)NC[C@@H](C(=O)[O-])C2CCC2)cccc1C(F)(F)F ZINC000663348657 1042739141 /nfs/dbraw/zinc/73/91/41/1042739141.db2.gz HZIHUEWUFQGYOH-LLVKDONJSA-N -1 0 344.333 3.636 20 0 EHADRM O=C(NO[C@@H]1CCCCO1)Nc1ccc(Oc2ccccc2F)nc1 ZINC000278866730 1042762629 /nfs/dbraw/zinc/76/26/29/1042762629.db2.gz GUQMLTWTLBRPFX-MRXNPFEDSA-N -1 0 347.346 3.593 20 0 EHADRM CC(C)n1cc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)cn1 ZINC000066585646 1042769475 /nfs/dbraw/zinc/76/94/75/1042769475.db2.gz VBKXQBDILKXPIV-UHFFFAOYSA-N -1 0 341.436 3.932 20 0 EHADRM COc1cccc(-c2ccc(CN=c3[n-]nc(C(F)F)o3)cc2)c1 ZINC000432339695 1042972160 /nfs/dbraw/zinc/97/21/60/1042972160.db2.gz JRFDQPDSAMUNGT-UHFFFAOYSA-N -1 0 331.322 3.717 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)c2ccc3c(c2)CCCC3)c2ccccc21 ZINC000653333159 1042981245 /nfs/dbraw/zinc/98/12/45/1042981245.db2.gz LWVUFMFMGUFBNX-OALUTQOASA-N -1 0 335.403 3.608 20 0 EHADRM O=S(=O)([N-]c1cnccc1-c1ccccc1)c1cncc(Cl)c1 ZINC000432349323 1042985489 /nfs/dbraw/zinc/98/54/89/1042985489.db2.gz VJLBGYVWTLBAQH-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1cnccc1-c1ccccc1 ZINC000432354580 1042991005 /nfs/dbraw/zinc/99/10/05/1042991005.db2.gz YOANLLOKBCBLKO-UHFFFAOYSA-N -1 0 340.404 3.558 20 0 EHADRM CN(CCOc1ccc(Cl)cc1)C(=O)c1ccc([O-])c(Cl)c1 ZINC000049945866 1043171030 /nfs/dbraw/zinc/17/10/30/1043171030.db2.gz NKDHEMNPVTVBJP-UHFFFAOYSA-N -1 0 340.206 3.850 20 0 EHADRM Fc1ccc2nc(CN=c3[n-]nc(CC4CCCCC4)o3)sc2c1 ZINC000432425816 1043172403 /nfs/dbraw/zinc/17/24/03/1043172403.db2.gz NXWIRGLPQSTEKL-UHFFFAOYSA-N -1 0 346.431 3.975 20 0 EHADRM Cc1cc2cc(CNC(=O)c3cc(F)c(F)c([O-])c3F)ccc2[nH]1 ZINC000344064601 1043198624 /nfs/dbraw/zinc/19/86/24/1043198624.db2.gz PRPMPNOBWWYQKS-UHFFFAOYSA-N -1 0 334.297 3.529 20 0 EHADRM C[C@H](c1ccccc1)N(C)C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000344807077 1044449281 /nfs/dbraw/zinc/44/92/81/1044449281.db2.gz GTYKLBOYNJMKSH-CYBMUJFWSA-N -1 0 339.370 3.550 20 0 EHADRM Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1CC(C)(C)CC(C)(C)C1 ZINC000344970857 1044752834 /nfs/dbraw/zinc/75/28/34/1044752834.db2.gz JCWVFDJCCWJUEE-UHFFFAOYSA-N -1 0 333.476 3.686 20 0 EHADRM CC[C@@H]1CCC[C@H](C)N1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000620577098 1125599589 /nfs/dbraw/zinc/59/95/89/1125599589.db2.gz NYBRKCNUESQDPE-GXTWGEPZSA-N -1 0 331.391 3.510 20 0 EHADRM O=C([O-])CC1(CC(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)CCCCC1 ZINC000620752961 1125694817 /nfs/dbraw/zinc/69/48/17/1125694817.db2.gz GRYAATLQNGTOEO-HZPDHXFCSA-N -1 0 333.403 3.613 20 0 EHADRM CC[C@](C)(CC(=O)[O-])C(=O)Nc1c(F)ccc(C)c1Br ZINC000634834236 1125727751 /nfs/dbraw/zinc/72/77/51/1125727751.db2.gz XZPWYFLAQQNAHU-CQSZACIVSA-N -1 0 346.196 3.726 20 0 EHADRM Cc1ccc(OC(F)F)c(CNC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000155039985 1125778451 /nfs/dbraw/zinc/77/84/51/1125778451.db2.gz VGPYCKXWJAIGQN-UHFFFAOYSA-N -1 0 341.741 3.885 20 0 EHADRM CCOc1ccc(CN[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])o1 ZINC000900039914 1126127997 /nfs/dbraw/zinc/12/79/97/1126127997.db2.gz FGXRWSSKGRRBMI-SFHVURJKSA-N -1 0 339.391 3.617 20 0 EHADRM CC(C)(C)[C@H]1CCN(C(=O)c2cccc(Br)c2[O-])C1 ZINC000543339396 1129420713 /nfs/dbraw/zinc/42/07/13/1129420713.db2.gz POKYLQXGFGBGJI-JTQLQIEISA-N -1 0 326.234 3.663 20 0 EHADRM CC(C)OCCNC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000622508963 1126711988 /nfs/dbraw/zinc/71/19/88/1126711988.db2.gz NVRMHFMAPDVSGU-UHFFFAOYSA-N -1 0 333.815 3.867 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cccc3cccnc32)c(C)c1 ZINC000172198687 1126784119 /nfs/dbraw/zinc/78/41/19/1126784119.db2.gz JVOXNLGLWMSMTB-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM Cc1ccc(CC(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000072595058 1126782745 /nfs/dbraw/zinc/78/27/45/1126782745.db2.gz KGBCMSOCRQNGHW-UHFFFAOYSA-N -1 0 337.828 3.845 20 0 EHADRM CCCCOc1ccc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1 ZINC000336880521 1126814156 /nfs/dbraw/zinc/81/41/56/1126814156.db2.gz QRKMMWBZTRNECM-NXHRZFHOSA-N -1 0 345.439 3.723 20 0 EHADRM O=C(CCc1ccco1)Nc1cc(Cl)cc(Br)c1[O-] ZINC000174924141 1126863851 /nfs/dbraw/zinc/86/38/51/1126863851.db2.gz FVFAAPMIPKTFPE-UHFFFAOYSA-N -1 0 344.592 3.972 20 0 EHADRM Cc1[nH]ccc1C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000176184231 1126906415 /nfs/dbraw/zinc/90/64/15/1126906415.db2.gz UBHFEVYKMCNHLP-UHFFFAOYSA-N -1 0 329.581 3.697 20 0 EHADRM O=C(NCc1cccc2cccnc21)c1ccc2[n-]c(=S)oc2c1 ZINC000073119538 1127043272 /nfs/dbraw/zinc/04/32/72/1127043272.db2.gz HZVYRMDNRGVJDJ-UHFFFAOYSA-N -1 0 335.388 3.969 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1cccnc1N1CCCCC1 ZINC000179726617 1127084470 /nfs/dbraw/zinc/08/44/70/1127084470.db2.gz SMMFQBINFQQEQD-UHFFFAOYSA-N -1 0 331.803 3.683 20 0 EHADRM COc1cc(NC(=O)c2ccc(Cl)cc2[O-])c(Cl)c(OC)c1 ZINC001299257523 1127155012 /nfs/dbraw/zinc/15/50/12/1127155012.db2.gz CGTGHPKVRSREGE-UHFFFAOYSA-N -1 0 342.178 3.969 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)c1F ZINC000181048966 1127265001 /nfs/dbraw/zinc/26/50/01/1127265001.db2.gz ODOCGVDTFHSDAN-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2c(C)cc(N(C)C)cc2C)c1F ZINC000181056726 1127265596 /nfs/dbraw/zinc/26/55/96/1127265596.db2.gz RRWLUWTYYLGGTC-UHFFFAOYSA-N -1 0 336.432 3.618 20 0 EHADRM Cn1nc(C2CCCC2)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000181108350 1127266936 /nfs/dbraw/zinc/26/69/36/1127266936.db2.gz QCCZYMAKONTZCN-UHFFFAOYSA-N -1 0 339.848 3.532 20 0 EHADRM CCCc1cnc([N-]S(=O)(=O)c2cc(OC)ccc2Cl)s1 ZINC000183203001 1127367318 /nfs/dbraw/zinc/36/73/18/1127367318.db2.gz HOMSXELBVGYIBY-UHFFFAOYSA-N -1 0 346.861 3.558 20 0 EHADRM Cc1c(NC(=O)c2cc(F)c(F)c([O-])c2F)cnn1-c1ccccc1 ZINC000183385104 1127375038 /nfs/dbraw/zinc/37/50/38/1127375038.db2.gz AXRALIAMYOFBON-UHFFFAOYSA-N -1 0 347.296 3.556 20 0 EHADRM CC(C)[C@H]([N-]S(=O)(=O)[C@H](C)C(F)(F)F)c1ccccc1Cl ZINC000184492964 1127406442 /nfs/dbraw/zinc/40/64/42/1127406442.db2.gz WWDSAZDMKWGKEO-SKDRFNHKSA-N -1 0 343.798 3.907 20 0 EHADRM COc1ccc(C(=O)/C=C\c2ccc(Cl)cc2)cc1CC(=O)[O-] ZINC000213550532 1127474198 /nfs/dbraw/zinc/47/41/98/1127474198.db2.gz SLJGLRZAEQHLFO-YWEYNIOJSA-N -1 0 330.767 3.872 20 0 EHADRM O=C(Nc1cc(Br)cc(Cl)c1[O-])c1cccc(F)n1 ZINC000765383611 1127606621 /nfs/dbraw/zinc/60/66/21/1127606621.db2.gz ZBGPUEBLMLRLDX-UHFFFAOYSA-N -1 0 345.555 3.595 20 0 EHADRM CC(C)[C@H](C)C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000171971528 1127643127 /nfs/dbraw/zinc/64/31/27/1127643127.db2.gz XVZHSXZUYTZANQ-AWEZNQCLSA-N -1 0 346.452 3.718 20 0 EHADRM CC(C)[C@H](CNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000671643404 1127758263 /nfs/dbraw/zinc/75/82/63/1127758263.db2.gz WMJZDVIFSKXUHX-IKGGRYGDSA-N -1 0 349.858 3.863 20 0 EHADRM C[C@H]1CCC[C@H](OCc2cccc(NC(=O)c3c[n-]ncc3=O)c2)C1 ZINC001626055246 1127907748 /nfs/dbraw/zinc/90/77/48/1127907748.db2.gz BNQBMESHZIUXJV-BBRMVZONSA-N -1 0 341.411 3.530 20 0 EHADRM Brc1cscc1CN=c1[n-]nc(-c2cccs2)o1 ZINC000351643083 1127971219 /nfs/dbraw/zinc/97/12/19/1127971219.db2.gz ZYILWLCIAJPELJ-UHFFFAOYSA-N -1 0 342.243 3.656 20 0 EHADRM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000060436940 1128101863 /nfs/dbraw/zinc/10/18/63/1128101863.db2.gz QBTFPFNFCOBCDP-UHFFFAOYSA-N -1 0 335.734 3.867 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c2n[nH]cc21 ZINC000063635525 1128149882 /nfs/dbraw/zinc/14/98/82/1128149882.db2.gz ZTQHVDNLWSLTDR-UHFFFAOYSA-N -1 0 343.452 3.970 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nc3cc(F)c(F)cc3s2)cc1 ZINC000066254343 1128212176 /nfs/dbraw/zinc/21/21/76/1128212176.db2.gz MUSOTDUCFXGQAF-UHFFFAOYSA-N -1 0 340.376 3.684 20 0 EHADRM CC(C)c1cc(C(=O)[N-]c2nnc(Cc3ccccc3F)s2)on1 ZINC000070858922 1128296119 /nfs/dbraw/zinc/29/61/19/1128296119.db2.gz GVQYUCQAHOVGPO-UHFFFAOYSA-N -1 0 346.387 3.632 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000055150055 1128415527 /nfs/dbraw/zinc/41/55/27/1128415527.db2.gz GXUFHUYLUUXKOW-SNPRPXQTSA-N -1 0 327.380 3.585 20 0 EHADRM O=C([N-]S(=O)(=O)CC1CC1)[C@@H](Oc1ccccc1)c1ccccc1 ZINC000073537111 1128393324 /nfs/dbraw/zinc/39/33/24/1128393324.db2.gz DUASZUNKCDTMSJ-KRWDZBQOSA-N -1 0 345.420 3.503 20 0 EHADRM O=C(CC(c1ccccc1)c1ccccc1)[N-]S(=O)(=O)CC1CC1 ZINC000073538853 1128395776 /nfs/dbraw/zinc/39/57/76/1128395776.db2.gz BOGUQAMXQBPGIH-UHFFFAOYSA-N -1 0 343.448 3.905 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1ccccc1OCC(C)C ZINC000055652024 1128526475 /nfs/dbraw/zinc/52/64/75/1128526475.db2.gz AIEBBFUCAXLFLZ-UHFFFAOYSA-N -1 0 335.425 3.531 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000057751824 1128663882 /nfs/dbraw/zinc/66/38/82/1128663882.db2.gz HHAPLIWIWKJBMK-UHFFFAOYSA-N -1 0 344.396 3.583 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)cc2F)cc1Cl ZINC000405008438 1128705417 /nfs/dbraw/zinc/70/54/17/1128705417.db2.gz ZJKJPBVFHVMMOD-UHFFFAOYSA-N -1 0 343.807 3.987 20 0 EHADRM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1csc2c1CCCC2 ZINC000057786459 1128712435 /nfs/dbraw/zinc/71/24/35/1128712435.db2.gz SNHCJNJSKDYTMV-UHFFFAOYSA-N -1 0 341.392 3.635 20 0 EHADRM CSc1ccc([C@@H](C)N=c2[n-]nc(C3CCOCC3)s2)cc1 ZINC000338714161 1128737813 /nfs/dbraw/zinc/73/78/13/1128737813.db2.gz RMXWPVYWBOSMFB-LLVKDONJSA-N -1 0 335.498 3.749 20 0 EHADRM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000007055839 1128846415 /nfs/dbraw/zinc/84/64/15/1128846415.db2.gz IZTZQKGFSVNOLN-UHFFFAOYSA-N -1 0 349.452 3.902 20 0 EHADRM CC(C)(CNC(=O)c1c([O-])cc(Cl)cc1Cl)OCC1CC1 ZINC001648846927 1120053628 /nfs/dbraw/zinc/05/36/28/1120053628.db2.gz JISJYBSEZMDTQN-UHFFFAOYSA-N -1 0 332.227 3.634 20 0 EHADRM Cc1cc(Br)c(F)cc1Nc1ccc(C(=O)[O-])nc1 ZINC000224442649 1120161202 /nfs/dbraw/zinc/16/12/02/1120161202.db2.gz CHHZBQHRFXOXER-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM CCCCOc1ccc(CN[C@@H](CC)c2nc(C(=O)[O-])c[nH]2)cc1 ZINC000904065132 1120351407 /nfs/dbraw/zinc/35/14/07/1120351407.db2.gz NWWTXRJOOIVJCN-HNNXBMFYSA-N -1 0 331.416 3.528 20 0 EHADRM CCC[C@H](C)[C@@H]1CCCN1C(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000494226786 1120507651 /nfs/dbraw/zinc/50/76/51/1120507651.db2.gz KCCVPQZMVRIBLM-RYUDHWBXSA-N -1 0 334.445 3.653 20 0 EHADRM CC(C)[C@@H](C)N(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O ZINC000494555937 1120593373 /nfs/dbraw/zinc/59/33/73/1120593373.db2.gz SIRFAJCPXHHCGF-GFCCVEGCSA-N -1 0 336.432 3.856 20 0 EHADRM Cc1occc1S([O-])=CC(=O)N(CCC(C)C)CCC(C)C ZINC000189625083 1120602383 /nfs/dbraw/zinc/60/23/83/1120602383.db2.gz GWVIYBNOFIBRKK-QFIPXVFZSA-N -1 0 327.490 3.616 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccccc2)nn1)c1cccc(Cl)c1 ZINC000191033758 1120659212 /nfs/dbraw/zinc/65/92/12/1120659212.db2.gz KAEUCOPYLYCHHY-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM O=C(Nc1ccc(F)c(Br)c1)c1c([O-])cccc1F ZINC000228856601 1120941296 /nfs/dbraw/zinc/94/12/96/1120941296.db2.gz ILWBVNMHBSDXLS-UHFFFAOYSA-N -1 0 328.112 3.685 20 0 EHADRM [O-]c1c(Cl)cccc1-c1nc(Cc2ccc3c(c2)CCO3)no1 ZINC000761820132 1120966760 /nfs/dbraw/zinc/96/67/60/1120966760.db2.gz LCBNSWQRINXCBJ-UHFFFAOYSA-N -1 0 328.755 3.621 20 0 EHADRM COc1ccc(O)c(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000230872357 1121011375 /nfs/dbraw/zinc/01/13/75/1121011375.db2.gz ZXZFXCHTVPIMJO-UHFFFAOYSA-N -1 0 328.151 3.666 20 0 EHADRM Cc1cnn(-c2ccc(C)cc2NC(=O)c2cccc(F)c2[O-])c1 ZINC001127337020 1121106340 /nfs/dbraw/zinc/10/63/40/1121106340.db2.gz IASMTWFVVYNHBE-UHFFFAOYSA-N -1 0 325.343 3.586 20 0 EHADRM O=C(Nc1cc(Br)cc(Cl)c1[O-])c1ccnc(F)c1 ZINC000762327188 1121255709 /nfs/dbraw/zinc/25/57/09/1121255709.db2.gz FIPORMGHXOTLMM-UHFFFAOYSA-N -1 0 345.555 3.595 20 0 EHADRM O=C(Nc1nnc(C2CCCCC2)s1)c1cc(F)c([O-])c(F)c1 ZINC000762585396 1121369565 /nfs/dbraw/zinc/36/95/65/1121369565.db2.gz ZJUAEHSPASOIHQ-UHFFFAOYSA-N -1 0 339.367 3.822 20 0 EHADRM O=C(OCc1cnn(Cc2ccccc2)c1)c1ccc([O-])c(Cl)c1 ZINC000762829750 1121453024 /nfs/dbraw/zinc/45/30/24/1121453024.db2.gz JMCSYWXCNUEJQW-UHFFFAOYSA-N -1 0 342.782 3.647 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])Cc1csc(-c2cccc(OC)c2)n1 ZINC000236860359 1121467222 /nfs/dbraw/zinc/46/72/22/1121467222.db2.gz BWPDDKDRAUHTSI-GFCCVEGCSA-N -1 0 334.441 3.504 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000236942466 1121469162 /nfs/dbraw/zinc/46/91/62/1121469162.db2.gz XPAAODPGVACPCF-QZTJIDSGSA-N -1 0 331.456 3.653 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Cc1ccc(Cl)cc1Cl ZINC000237928647 1121499531 /nfs/dbraw/zinc/49/95/31/1121499531.db2.gz MSPXSKONRRZWTO-ZDUSSCGKSA-N -1 0 344.238 3.782 20 0 EHADRM Cc1ccc(C)c(C(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000915815446 1121641241 /nfs/dbraw/zinc/64/12/41/1121641241.db2.gz NFHAAWMLCDGXIN-UHFFFAOYSA-N -1 0 339.416 3.575 20 0 EHADRM CCc1nccn1[C@@H](C)CC(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000648863963 1121751885 /nfs/dbraw/zinc/75/18/85/1121751885.db2.gz GJEGESSAFAGNCW-VIFPVBQESA-N -1 0 325.771 3.533 20 0 EHADRM CCc1ccc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)cc1C ZINC000326339170 1121919957 /nfs/dbraw/zinc/91/99/57/1121919957.db2.gz RMVFKOCNHKGZJX-FQEVSTJZSA-N -1 0 325.408 3.929 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000630097679 1121972625 /nfs/dbraw/zinc/97/26/25/1121972625.db2.gz KYTTXCVPEZJBTE-NNIGNNQHSA-N -1 0 341.451 3.815 20 0 EHADRM O=C([O-])c1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1F ZINC000324656625 1122067619 /nfs/dbraw/zinc/06/76/19/1122067619.db2.gz ZATAGJKDCDVSIZ-UHFFFAOYSA-N -1 0 327.355 3.974 20 0 EHADRM O=C(OCc1nc(-c2ccc(F)cc2)no1)c1ccc([O-])c(Cl)c1 ZINC000916506197 1122175620 /nfs/dbraw/zinc/17/56/20/1122175620.db2.gz CMIJDSQGWREWJM-UHFFFAOYSA-N -1 0 348.717 3.592 20 0 EHADRM C[C@@H](NC(=O)c1ccc(F)cc1[O-])c1ncc(-c2ccccc2)o1 ZINC000123894245 1122268126 /nfs/dbraw/zinc/26/81/26/1122268126.db2.gz HWWLLAVYXCEVMQ-LLVKDONJSA-N -1 0 326.327 3.677 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)c2cc3cc(Cl)ccc3o2)c1 ZINC000916778893 1122346989 /nfs/dbraw/zinc/34/69/89/1122346989.db2.gz AFVCDKFUWFUZPK-UHFFFAOYSA-N -1 0 349.795 3.513 20 0 EHADRM Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccc(C)cc3F)c2)n1 ZINC000126756394 1122422984 /nfs/dbraw/zinc/42/29/84/1122422984.db2.gz MIBJHSFPWGIBEJ-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N(C)CCC(C)(C)C)n2)c1 ZINC000649028343 1122537529 /nfs/dbraw/zinc/53/75/29/1122537529.db2.gz XPCSOSYCOVRDLY-UHFFFAOYSA-N -1 0 333.407 3.534 20 0 EHADRM CC(C)(C)c1ccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)cc1 ZINC000498004463 1122729214 /nfs/dbraw/zinc/72/92/14/1122729214.db2.gz KCQJPDRWUULOBI-UHFFFAOYSA-N -1 0 329.425 3.661 20 0 EHADRM CCCS(=O)(=O)[N-]c1nc(-c2ccco2)c(-c2ccco2)s1 ZINC000556082466 1122807956 /nfs/dbraw/zinc/80/79/56/1122807956.db2.gz JQLWLKRNTYBKQB-UHFFFAOYSA-N -1 0 338.410 3.815 20 0 EHADRM Cc1cccnc1[N-]S(=O)(=O)c1ccc(OCCC(C)C)cc1 ZINC000069674356 1122810087 /nfs/dbraw/zinc/81/00/87/1122810087.db2.gz SCEJSOVYIQKATO-UHFFFAOYSA-N -1 0 334.441 3.616 20 0 EHADRM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)C=C1CCCC1 ZINC000918482351 1122818611 /nfs/dbraw/zinc/81/86/11/1122818611.db2.gz MUZWBFUTKNUXBM-UHFFFAOYSA-N -1 0 335.469 3.598 20 0 EHADRM O=C(N=c1nc(Cc2ccccc2)[n-]s1)c1ccc(Cl)c(F)c1 ZINC000498270877 1122823135 /nfs/dbraw/zinc/82/31/35/1122823135.db2.gz RJKWDOPFUFFQPP-UHFFFAOYSA-N -1 0 347.802 3.596 20 0 EHADRM Fc1cc(CN=c2[n-]nc(-c3ccc4c(c3)CCC4)o2)cc(F)c1F ZINC000556274772 1122912215 /nfs/dbraw/zinc/91/22/15/1122912215.db2.gz DMPNRNLHHZIHKM-UHFFFAOYSA-N -1 0 345.324 3.677 20 0 EHADRM C[C@H](NC(=O)N=c1[n-]nc(-c2ccsc2)s1)C1CCCCC1 ZINC000466011953 1129089949 /nfs/dbraw/zinc/08/99/49/1129089949.db2.gz UDSBQCUDRXOFGQ-JTQLQIEISA-N -1 0 336.486 3.779 20 0 EHADRM C[C@H](CC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-])Cc1cccc(F)c1 ZINC000262841878 1122995655 /nfs/dbraw/zinc/99/56/55/1122995655.db2.gz RKHGCQGLRAOATG-AXHNFQJDSA-N -1 0 335.419 3.544 20 0 EHADRM Cc1noc([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)c1C ZINC000131322745 1123081754 /nfs/dbraw/zinc/08/17/54/1123081754.db2.gz IYCQABVHDXPHAB-UHFFFAOYSA-N -1 0 342.829 3.960 20 0 EHADRM CC(C)c1cccc(C(=O)[O-])c1NS(=O)(=O)/C=C/c1ccccc1 ZINC000919960214 1123247351 /nfs/dbraw/zinc/24/73/51/1123247351.db2.gz UYJWJZGKFUNYSY-VAWYXSNFSA-N -1 0 345.420 3.921 20 0 EHADRM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2)cc1 ZINC000919962821 1123247925 /nfs/dbraw/zinc/24/79/25/1123247925.db2.gz KGLQUQOAKHSDFR-LLVKDONJSA-N -1 0 340.832 3.713 20 0 EHADRM CC(C)Cn1ncc([N-]S(=O)(=O)c2cccc(F)c2)c1C(C)C ZINC000499266057 1123318980 /nfs/dbraw/zinc/31/89/80/1123318980.db2.gz MAGZQFVDDOFMCY-UHFFFAOYSA-N -1 0 339.436 3.602 20 0 EHADRM O=C(Nc1ccc(Cc2ccncc2)cc1)c1c([O-])cc(F)cc1F ZINC000195289745 1123352266 /nfs/dbraw/zinc/35/22/66/1123352266.db2.gz QPYIKGBWLXLJTC-UHFFFAOYSA-N -1 0 340.329 3.909 20 0 EHADRM C[C@@H](CS(=O)(=O)[N-]c1ccccc1OC(F)F)c1ccccc1 ZINC000133418967 1123393136 /nfs/dbraw/zinc/39/31/36/1123393136.db2.gz OAPCESSDKDQHKJ-LBPRGKRZSA-N -1 0 341.379 3.833 20 0 EHADRM C[C@H]1CCCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000920797182 1123424354 /nfs/dbraw/zinc/42/43/54/1123424354.db2.gz SFNPSHTXVBXXOI-WDEREUQCSA-N -1 0 347.839 3.500 20 0 EHADRM CCC(CC)(CNC(=O)c1oc2c(c1C)c(C)ccc2C)C(=O)[O-] ZINC000236901474 1123482202 /nfs/dbraw/zinc/48/22/02/1123482202.db2.gz UEPIHXZNLUJERB-UHFFFAOYSA-N -1 0 331.412 3.979 20 0 EHADRM Cc1cc(C)n(-c2ccccc2NC(=O)c2c([O-])cc(F)cc2F)n1 ZINC000066044903 1129125746 /nfs/dbraw/zinc/12/57/46/1129125746.db2.gz QUVFFFJFJGWZFB-UHFFFAOYSA-N -1 0 343.333 3.725 20 0 EHADRM C[C@H](CSc1ccc(F)cc1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000237442531 1123519304 /nfs/dbraw/zinc/51/93/04/1123519304.db2.gz ZGEBRRACRCJQIO-LLVKDONJSA-N -1 0 333.384 3.891 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)cc1C(=O)[O-] ZINC000237933533 1123550925 /nfs/dbraw/zinc/55/09/25/1123550925.db2.gz PJNFXAMQHZHQJD-GHTZIAJQSA-N -1 0 335.403 3.926 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2ccccc2OCC2CC2)c1 ZINC000238156079 1123567123 /nfs/dbraw/zinc/56/71/23/1123567123.db2.gz XVYORPUXTQBWQP-UHFFFAOYSA-N -1 0 329.327 3.565 20 0 EHADRM C[C@H](O)c1ccc(CNC(=O)c2c([O-])cc(Cl)cc2Cl)cc1 ZINC000175203713 1123629973 /nfs/dbraw/zinc/62/99/73/1123629973.db2.gz CQBPSRSJHNKRDT-VIFPVBQESA-N -1 0 340.206 3.682 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)CC1 ZINC000564347810 1123685538 /nfs/dbraw/zinc/68/55/38/1123685538.db2.gz HINJSDNXONRKSN-REHBVBGRSA-N -1 0 335.831 3.593 20 0 EHADRM Cc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000055546828 1123708398 /nfs/dbraw/zinc/70/83/98/1123708398.db2.gz AKELQQCXHMLRJT-UHFFFAOYSA-N -1 0 333.409 3.617 20 0 EHADRM CCc1ccsc1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000064698460 1123724804 /nfs/dbraw/zinc/72/48/04/1123724804.db2.gz HWASDFOGZYSAJO-UHFFFAOYSA-N -1 0 347.820 3.797 20 0 EHADRM O=C(Nc1c(=O)[nH][n-]c1-c1ccccc1)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000615280477 1123771044 /nfs/dbraw/zinc/77/10/44/1123771044.db2.gz FBZLMFNDLFSLKY-MNOVXSKESA-N -1 0 339.317 3.699 20 0 EHADRM CC[C@@H](C)n1ncc(C(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)c1C ZINC000615281445 1123772214 /nfs/dbraw/zinc/77/22/14/1123772214.db2.gz PJIVJUBWBBTZJT-LLVKDONJSA-N -1 0 339.399 3.511 20 0 EHADRM Cc1[nH]c2ccccc2c1CC(=O)NCCCCCCCC(=O)[O-] ZINC000237708673 1123824295 /nfs/dbraw/zinc/82/42/95/1123824295.db2.gz NDZOKIGPNXICOO-UHFFFAOYSA-N -1 0 330.428 3.560 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc2cc(Cl)ccc2o1 ZINC000237982716 1123932743 /nfs/dbraw/zinc/93/27/43/1123932743.db2.gz YGSDHBSMXAICOL-BPNCWPANSA-N -1 0 347.798 3.944 20 0 EHADRM O=C(NCC1(Cc2ccc(F)cc2)CC1)c1cccc(Cl)c1[O-] ZINC001127610617 1124095387 /nfs/dbraw/zinc/09/53/87/1124095387.db2.gz WECJQUULOPAYCD-UHFFFAOYSA-N -1 0 333.790 3.937 20 0 EHADRM CC(C)c1ccc2c(c1)CN(C(=O)c1s[n-]c(=O)c1Cl)CC2 ZINC000617608020 1124677079 /nfs/dbraw/zinc/67/70/79/1124677079.db2.gz HRUSKUVIAWWDNE-UHFFFAOYSA-N -1 0 336.844 3.824 20 0 EHADRM CCc1oc(C(=O)N2Cc3ccccc3C[C@@H]2CC)cc1C(=O)[O-] ZINC000263581036 1124695729 /nfs/dbraw/zinc/69/57/29/1124695729.db2.gz WQJDTLYJSLXNMF-AWEZNQCLSA-N -1 0 327.380 3.517 20 0 EHADRM O=C([O-])[C@H]1CC[C@H]1C(=O)Nc1cc(Cl)ccc1OCC1CCC1 ZINC000263583322 1124744969 /nfs/dbraw/zinc/74/49/69/1124744969.db2.gz ZURYFLKHXGFCJX-OLZOCXBDSA-N -1 0 337.803 3.568 20 0 EHADRM O=S(=O)(Cc1cccc(F)c1)[N-]c1scnc1-c1ccccc1 ZINC000091055213 1124952909 /nfs/dbraw/zinc/95/29/09/1124952909.db2.gz MLBPHGXDVWZYPE-UHFFFAOYSA-N -1 0 348.424 3.891 20 0 EHADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccccc1Sc1ccccc1 ZINC000181942648 1125086716 /nfs/dbraw/zinc/08/67/16/1125086716.db2.gz DYEKBBFPNZNLHA-ZDUSSCGKSA-N -1 0 349.477 3.696 20 0 EHADRM CC(C)[C@@H]1CCc2[n-]n(-c3ccc(Br)cn3)c(=O)c2C1 ZINC000634593682 1125133367 /nfs/dbraw/zinc/13/33/67/1125133367.db2.gz XHFACEPSTMFQRV-PWSUYJOCSA-N -1 0 336.233 3.619 20 0 EHADRM COc1cccc([C@@]2(C)CCN(C(=O)c3ccc([O-])c(Cl)c3)C2)c1 ZINC000618739910 1125178915 /nfs/dbraw/zinc/17/89/15/1125178915.db2.gz CTLQABNKWKYIFO-IBGZPJMESA-N -1 0 345.826 3.858 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccnc2C(F)(F)F)cc(C)c1F ZINC000572558736 1125368537 /nfs/dbraw/zinc/36/85/37/1125368537.db2.gz LOKLSCYXRMSWJX-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM O=C(NCCOCc1ccc(Cl)cc1)c1ccc([O-])c(Cl)c1 ZINC000152802089 1125382801 /nfs/dbraw/zinc/38/28/01/1125382801.db2.gz GVAPQNLRLIKDPF-UHFFFAOYSA-N -1 0 340.206 3.646 20 0 EHADRM COc1c(F)ccc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)c1F ZINC001212508092 1129236543 /nfs/dbraw/zinc/23/65/43/1129236543.db2.gz CWKPBTBSMNZNKU-UHFFFAOYSA-N -1 0 349.742 3.617 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)/C=C\C2CCCCC2)c1C ZINC000735596439 1131364543 /nfs/dbraw/zinc/36/45/43/1131364543.db2.gz MVQTXERYOAMRIK-KHPPLWFESA-N -1 0 349.496 3.862 20 0 EHADRM CCc1ccc([C@H](C)C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)cc1 ZINC000067993788 1129330516 /nfs/dbraw/zinc/33/05/16/1129330516.db2.gz SGCVREJHDYDKAR-LBPRGKRZSA-N -1 0 337.379 3.747 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)cc1 ZINC000067993786 1129330639 /nfs/dbraw/zinc/33/06/39/1129330639.db2.gz SGCVREJHDYDKAR-GFCCVEGCSA-N -1 0 337.379 3.747 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)nc1 ZINC000116603587 1129374359 /nfs/dbraw/zinc/37/43/59/1129374359.db2.gz DQIPZMYSWFXFBX-UHFFFAOYSA-N -1 0 349.264 3.911 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)c1n[n-]c2ccccc2c1=O)C(C)C ZINC000735661789 1131371386 /nfs/dbraw/zinc/37/13/86/1131371386.db2.gz MOOVWDFFMYXCJR-QGZVFWFLSA-N -1 0 335.407 3.771 20 0 EHADRM Cc1ccc(N=c2[n-]nc(SCC3(O)CCC3)s2)cc1Cl ZINC000466369500 1129406835 /nfs/dbraw/zinc/40/68/35/1129406835.db2.gz YMUXUFIYAVIJES-UHFFFAOYSA-N -1 0 341.889 3.673 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)N=c1ncn(C(C)(C)C)[n-]1)C(C)(C)C ZINC000543363349 1129436541 /nfs/dbraw/zinc/43/65/41/1129436541.db2.gz JORXLBWUNJPRLU-OAHLLOKOSA-N -1 0 343.475 3.672 20 0 EHADRM Cc1cccc(CSCC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000392011904 1129696754 /nfs/dbraw/zinc/69/67/54/1129696754.db2.gz TYFUNECUWKHDEO-MRXNPFEDSA-N -1 0 349.496 3.578 20 0 EHADRM Cc1ncc(Br)cc1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212511033 1129872990 /nfs/dbraw/zinc/87/29/90/1129872990.db2.gz PEJBHYRJAQCBLX-UHFFFAOYSA-N -1 0 343.127 3.873 20 0 EHADRM Cc1cc(Nc2ccc(C(=O)[O-])c(F)c2F)cc(Br)n1 ZINC001212511057 1129874098 /nfs/dbraw/zinc/87/40/98/1129874098.db2.gz QDTJNOYQORHKAO-UHFFFAOYSA-N -1 0 343.127 3.873 20 0 EHADRM Cc1n[n-]c(=NCc2ccc(OCc3c(F)cccc3Cl)cc2)o1 ZINC000347819954 1129875369 /nfs/dbraw/zinc/87/53/69/1129875369.db2.gz RTMMDZYUQYULFD-UHFFFAOYSA-N -1 0 347.777 3.784 20 0 EHADRM COCc1ccc(CN=c2[n-]nc(Cc3cccc4ccccc43)o2)o1 ZINC000347819901 1129875940 /nfs/dbraw/zinc/87/59/40/1129875940.db2.gz RDKIBLLFBDPWBK-UHFFFAOYSA-N -1 0 349.390 3.587 20 0 EHADRM COc1cccc2ncc(Nc3ccc(C(=O)[O-])c(F)c3F)cc21 ZINC001212511914 1129915253 /nfs/dbraw/zinc/91/52/53/1129915253.db2.gz MBDRVHVLBORAJC-UHFFFAOYSA-N -1 0 330.290 3.963 20 0 EHADRM Cc1ccc(-n2nccc2Nc2ccc(C(=O)[O-])c(F)c2F)cc1 ZINC001212512119 1129920211 /nfs/dbraw/zinc/92/02/11/1129920211.db2.gz WCHTYNQVEMKXNA-UHFFFAOYSA-N -1 0 329.306 3.901 20 0 EHADRM O=C(N[C@@H]1CCC[C@H]1c1ccccc1)c1cc(F)c(F)c([O-])c1F ZINC000544560806 1129965489 /nfs/dbraw/zinc/96/54/89/1129965489.db2.gz IVQMNNKFCKPZKT-SMDDNHRTSA-N -1 0 335.325 3.876 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)[C@@H]1CCSc2ccccc21 ZINC000466623079 1129983698 /nfs/dbraw/zinc/98/36/98/1129983698.db2.gz MEJZZVPKLUDTEN-MRXNPFEDSA-N -1 0 347.443 3.784 20 0 EHADRM CCc1n[n-]c(=NC(=O)N(CCc2ccccc2)C2CCCC2)s1 ZINC000429220506 1129990590 /nfs/dbraw/zinc/99/05/90/1129990590.db2.gz OGYQBSWVGYPFDR-UHFFFAOYSA-N -1 0 344.484 3.542 20 0 EHADRM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000171013799 1129997837 /nfs/dbraw/zinc/99/78/37/1129997837.db2.gz YBEVOJDVWHTCMV-SECBINFHSA-N -1 0 331.846 3.910 20 0 EHADRM CC(C)Cc1nnc(NC(=O)c2cnc(-c3ccccn3)s2)s1 ZINC000171401294 1130053837 /nfs/dbraw/zinc/05/38/37/1130053837.db2.gz ONACTXPDDZIJJV-UHFFFAOYSA-N -1 0 345.453 3.507 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccnn2[C@@H](C)C2CC2)c(Cl)c1 ZINC000171342939 1130047964 /nfs/dbraw/zinc/04/79/64/1130047964.db2.gz KBXMULJFSJCUNV-NSHDSACASA-N -1 0 339.848 3.617 20 0 EHADRM CSc1ccncc1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000674715069 1130179129 /nfs/dbraw/zinc/17/91/29/1130179129.db2.gz KSWVYWCWUHXZRP-UHFFFAOYSA-N -1 0 336.482 3.803 20 0 EHADRM O=C(c1c([O-])cc(F)cc1F)N1CC(Cc2ccccc2Cl)C1 ZINC000674747390 1130185501 /nfs/dbraw/zinc/18/55/01/1130185501.db2.gz SZPVQNMWABEHRS-UHFFFAOYSA-N -1 0 337.753 3.639 20 0 EHADRM CC(C)(CC(=O)N[C@H](Cc1ccccc1)c1cccs1)C(=O)[O-] ZINC000674992246 1130237330 /nfs/dbraw/zinc/23/73/30/1130237330.db2.gz PCCFVEUQRPAVDT-CQSZACIVSA-N -1 0 331.437 3.649 20 0 EHADRM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1cccc2n[nH]cc21 ZINC000675438324 1130371150 /nfs/dbraw/zinc/37/11/50/1130371150.db2.gz RJUJZJMIEAJRPJ-UHFFFAOYSA-N -1 0 345.355 3.557 20 0 EHADRM CC(C)n1cc2ccc(NC(=O)c3c([O-])cc(F)cc3F)cc2n1 ZINC000676052436 1130520645 /nfs/dbraw/zinc/52/06/45/1130520645.db2.gz SYARSRAQFKYIHA-UHFFFAOYSA-N -1 0 331.322 3.853 20 0 EHADRM O=C(Nc1cccc(-c2nn[nH]n2)c1)c1sccc1-c1ccccc1 ZINC000070730813 1130528934 /nfs/dbraw/zinc/52/89/34/1130528934.db2.gz NTRLYZQFEUGMIT-UHFFFAOYSA-N -1 0 347.403 3.848 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCC[C@H]1c1ccc(O)cc1 ZINC000676126738 1130535815 /nfs/dbraw/zinc/53/58/15/1130535815.db2.gz ZPYQDTRYSQRBIS-HNNXBMFYSA-N -1 0 335.762 3.868 20 0 EHADRM Cc1ccc(C)c(OCCCCC(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000676213554 1130549108 /nfs/dbraw/zinc/54/91/08/1130549108.db2.gz BRWWDHABFXODFH-KRWDZBQOSA-N -1 0 347.455 3.566 20 0 EHADRM CCCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)CCc1ccccc1 ZINC000727957485 1130613066 /nfs/dbraw/zinc/61/30/66/1130613066.db2.gz OPXLPSSLSSJNAK-MRXNPFEDSA-N -1 0 339.501 3.672 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)c1n[n-]c2ccccc2c1=O ZINC000731896377 1130857988 /nfs/dbraw/zinc/85/79/88/1130857988.db2.gz HQIACIUXWLGEEL-LBPRGKRZSA-N -1 0 347.374 3.881 20 0 EHADRM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)c1n[n-]c2ccccc2c1=O ZINC000732285028 1130909839 /nfs/dbraw/zinc/90/98/39/1130909839.db2.gz NWPYXWGXKKSAEZ-ZFWWWQNUSA-N -1 0 327.428 3.670 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)s1 ZINC000347988714 1131110978 /nfs/dbraw/zinc/11/09/78/1131110978.db2.gz DWHWTHHYQKSQRT-UHFFFAOYSA-N -1 0 339.467 3.563 20 0 EHADRM C[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000734080155 1131194707 /nfs/dbraw/zinc/19/47/07/1131194707.db2.gz LKACMVDGFJNMDV-CQSZACIVSA-N -1 0 345.464 3.861 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000734081094 1131194823 /nfs/dbraw/zinc/19/48/23/1131194823.db2.gz IOBZYSIUFWKZRQ-OAHLLOKOSA-N -1 0 329.506 3.762 20 0 EHADRM CN(CCC(=O)[O-])C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1 ZINC000737988845 1131459417 /nfs/dbraw/zinc/45/94/17/1131459417.db2.gz FUMTWTXTAGJKCR-CLFYSBASSA-N -1 0 333.384 3.501 20 0 EHADRM CCSc1ccccc1C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1 ZINC000737347613 1131490816 /nfs/dbraw/zinc/49/08/16/1131490816.db2.gz QYQVZIAQFCERSE-ZDUSSCGKSA-N -1 0 349.477 3.619 20 0 EHADRM Fc1ccc(-c2nc(-c3ccc4[n-]c(=S)sc4c3)no2)c(F)n1 ZINC001212573983 1131529445 /nfs/dbraw/zinc/52/94/45/1131529445.db2.gz JGQLOPJPHPPKHI-UHFFFAOYSA-N -1 0 348.359 3.975 20 0 EHADRM CCc1cnc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)s1 ZINC000743048422 1131843225 /nfs/dbraw/zinc/84/32/25/1131843225.db2.gz ODRUNVXOSFWLQE-BQYQJAHWSA-N -1 0 328.846 3.772 20 0 EHADRM Cc1ccc(N2CCC[C@H](NC(=O)c3ccc([O-])c(Cl)c3)C2)cc1 ZINC000743718729 1131970395 /nfs/dbraw/zinc/97/03/95/1131970395.db2.gz RCNBIVZXHUQHRW-HNNXBMFYSA-N -1 0 344.842 3.753 20 0 EHADRM CCC(CC)(CNC(=O)c1cccc(Br)c1[O-])SC ZINC000743754300 1131972663 /nfs/dbraw/zinc/97/26/63/1131972663.db2.gz OITIGSZWTBXFDK-UHFFFAOYSA-N -1 0 346.290 3.806 20 0 EHADRM CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000744011186 1132007697 /nfs/dbraw/zinc/00/76/97/1132007697.db2.gz WCWBDROJZWDTCD-GFCCVEGCSA-N -1 0 331.865 3.751 20 0 EHADRM O=C(CCCC1CCCC1)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000744079337 1132017113 /nfs/dbraw/zinc/01/71/13/1132017113.db2.gz NASDOZOPKDMWNF-UHFFFAOYSA-N -1 0 347.480 3.780 20 0 EHADRM CCC[C@H](NC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)[O-] ZINC000036836497 1132152477 /nfs/dbraw/zinc/15/24/77/1132152477.db2.gz CRSYWNFGADLFMS-VIFPVBQESA-N -1 0 329.780 3.677 20 0 EHADRM COc1ccc(Nc2cc(Cl)c(C)cc2S(=O)(=O)[O-])cc1F ZINC001173866015 1132158405 /nfs/dbraw/zinc/15/84/05/1132158405.db2.gz WRLXQVMACIZQCL-UHFFFAOYSA-N -1 0 345.779 3.786 20 0 EHADRM CC(=O)c1ccc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)cc1 ZINC001173897376 1132166668 /nfs/dbraw/zinc/16/66/68/1132166668.db2.gz QIEQQUGXMSHLCP-UHFFFAOYSA-N -1 0 325.773 3.533 20 0 EHADRM O=S(=O)([O-])c1cc(Cl)ccc1Nc1cccc2cnccc21 ZINC001174137981 1132251416 /nfs/dbraw/zinc/25/14/16/1132251416.db2.gz JXIUNKSHUVUMFT-UHFFFAOYSA-N -1 0 334.784 3.879 20 0 EHADRM O=S(=O)([O-])c1cccc2cc(Nc3cnc4[nH]ccc4c3)ccc21 ZINC001174397827 1132333025 /nfs/dbraw/zinc/33/30/25/1132333025.db2.gz JZUGRAYZEMOKHZ-UHFFFAOYSA-N -1 0 339.376 3.658 20 0 EHADRM CCC[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C)cc1F)c1ccccc1 ZINC000745967428 1132340939 /nfs/dbraw/zinc/34/09/39/1132340939.db2.gz MARXTARUKYEZJB-OAHLLOKOSA-N -1 0 349.427 3.523 20 0 EHADRM CCOc1cc(Nc2cccc(/C=C/C(=O)[O-])c2)cc(C(=O)OC)c1 ZINC001174500374 1132369188 /nfs/dbraw/zinc/36/91/88/1132369188.db2.gz QBGBCMPQEYUGIY-BQYQJAHWSA-N -1 0 341.363 3.713 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2nc(F)c(F)c(Cl)c2F)c1 ZINC001174495680 1132371980 /nfs/dbraw/zinc/37/19/80/1132371980.db2.gz UZOBAUFIIAPSNQ-SNAWJCMRSA-N -1 0 328.677 3.994 20 0 EHADRM COc1ccc(Br)nc1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174495427 1132372307 /nfs/dbraw/zinc/37/23/07/1132372307.db2.gz QKCISJOYILBUHE-VMPITWQZSA-N -1 0 349.184 3.694 20 0 EHADRM Cc1ccc(OC[C@@H](C)NC(=O)c2ccc3[n-]c(=S)oc3c2)cc1 ZINC000746172561 1132386573 /nfs/dbraw/zinc/38/65/73/1132386573.db2.gz AWRXDYYAJDQCSR-GFCCVEGCSA-N -1 0 342.420 3.622 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2cccc(-c3cc[nH]n3)c2)c(Cl)c1 ZINC001174509587 1132394637 /nfs/dbraw/zinc/39/46/37/1132394637.db2.gz VDYBJQWZQULGKR-UHFFFAOYSA-N -1 0 349.799 3.720 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2coc(Br)c2)cc1Cl ZINC000379188059 1132431084 /nfs/dbraw/zinc/43/10/84/1132431084.db2.gz WZUYENLMJNILJU-UHFFFAOYSA-N -1 0 344.548 3.646 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1c(O)cccc1C(F)(F)F ZINC001174675608 1132432707 /nfs/dbraw/zinc/43/27/07/1132432707.db2.gz PHCOGKQHJGOBHP-UHFFFAOYSA-N -1 0 327.258 3.861 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc2c(=O)cc(C)oc2c1 ZINC001174675167 1132432750 /nfs/dbraw/zinc/43/27/50/1132432750.db2.gz GBUPYCAJIGIXOZ-UHFFFAOYSA-N -1 0 325.320 3.552 20 0 EHADRM CCOC(=O)CCc1ccc(Nc2ccc(C(=O)[O-])cc2OC)cc1 ZINC001174675863 1132433038 /nfs/dbraw/zinc/43/30/38/1132433038.db2.gz UPMOTOWGPLJVOX-UHFFFAOYSA-N -1 0 343.379 3.633 20 0 EHADRM COC(=O)c1cc(Cl)cc(Nc2ccc(C(=O)[O-])cc2OC)c1 ZINC001174677063 1132433907 /nfs/dbraw/zinc/43/39/07/1132433907.db2.gz UBVHHLJJOBEONG-UHFFFAOYSA-N -1 0 335.743 3.577 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc2c(c1)C(C)(C)CC(=O)N2 ZINC001174679854 1132434638 /nfs/dbraw/zinc/43/46/38/1132434638.db2.gz IFXZZNNBRXOPHS-UHFFFAOYSA-N -1 0 340.379 3.757 20 0 EHADRM COc1cc(Nc2c(N)cccc2C(F)(F)F)ccc1C(=O)[O-] ZINC001174685855 1132435879 /nfs/dbraw/zinc/43/58/79/1132435879.db2.gz BKRCRTUNABAZHX-UHFFFAOYSA-N -1 0 326.274 3.738 20 0 EHADRM COC(=O)c1c(Cl)cccc1Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001174687258 1132436867 /nfs/dbraw/zinc/43/68/67/1132436867.db2.gz QIOJPVHZSUDAAJ-UHFFFAOYSA-N -1 0 335.743 3.577 20 0 EHADRM Cc1c(F)cccc1Nc1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1 ZINC001174668324 1132443976 /nfs/dbraw/zinc/44/39/76/1132443976.db2.gz LFZUTLAVGDJYLQ-UHFFFAOYSA-N -1 0 347.367 3.983 20 0 EHADRM O=S(=O)([O-])c1ccc(Cl)c(Nc2ccc3c(c2)CCCO3)c1 ZINC001174722280 1132451704 /nfs/dbraw/zinc/45/17/04/1132451704.db2.gz VQYOZXCNIITORP-UHFFFAOYSA-N -1 0 339.800 3.655 20 0 EHADRM COc1c(Br)cccc1Nc1ccc(C(=O)[O-])s1 ZINC001174807769 1132479170 /nfs/dbraw/zinc/47/91/70/1132479170.db2.gz OQSXFOIVWDSFER-UHFFFAOYSA-N -1 0 328.187 3.961 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(C(=O)N3CCCCC3)cc2)s1 ZINC001174810738 1132479872 /nfs/dbraw/zinc/47/98/72/1132479872.db2.gz QTEOVOLQHCIQSZ-UHFFFAOYSA-N -1 0 330.409 3.816 20 0 EHADRM Cc1cc(Br)cc(Nc2ccc(C(=O)[O-])s2)c1N ZINC001174810056 1132480197 /nfs/dbraw/zinc/48/01/97/1132480197.db2.gz CGYHKZQIKMHIFN-UHFFFAOYSA-N -1 0 327.203 3.843 20 0 EHADRM COc1ccc(Nc2ccc3ccccc3c2)c(S(=O)(=O)[O-])c1 ZINC001174876777 1132493718 /nfs/dbraw/zinc/49/37/18/1132493718.db2.gz XJPQJFPMVDIQTK-UHFFFAOYSA-N -1 0 329.377 3.839 20 0 EHADRM COCc1ccc(Nc2cc(Cl)c(C)cc2S(=O)(=O)[O-])cc1 ZINC001174925470 1132507803 /nfs/dbraw/zinc/50/78/03/1132507803.db2.gz XJTAXRUPYCZLIX-UHFFFAOYSA-N -1 0 341.816 3.785 20 0 EHADRM COC(=O)c1cc(Nc2ccc(CC(=O)[O-])cc2)c(Cl)s1 ZINC001174947216 1132515611 /nfs/dbraw/zinc/51/56/11/1132515611.db2.gz GGSNJXIBRCVGDD-UHFFFAOYSA-N -1 0 325.773 3.559 20 0 EHADRM COc1ccc(Cn2nccc2Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC001174981299 1132534267 /nfs/dbraw/zinc/53/42/67/1132534267.db2.gz JTTTVEUSDMNYCX-UHFFFAOYSA-N -1 0 337.379 3.690 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1cc(Br)c2nccn2c1 ZINC001174983754 1132534976 /nfs/dbraw/zinc/53/49/76/1132534976.db2.gz RSXQBIMDPRLKQP-UHFFFAOYSA-N -1 0 346.184 3.847 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC001174983453 1132535549 /nfs/dbraw/zinc/53/55/49/1132535549.db2.gz NYOBNEQEATXHPC-UHFFFAOYSA-N -1 0 344.371 3.574 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1N1CCc2cc(Br)cc(N)c21 ZINC001174986244 1132536685 /nfs/dbraw/zinc/53/66/85/1132536685.db2.gz LLQRCHQPAUSSNF-UHFFFAOYSA-N -1 0 347.212 3.732 20 0 EHADRM COc1ccc([C@@H]2CCCN2c2c3ccccc3nnc2C(=O)[O-])cc1 ZINC000738093967 1132540055 /nfs/dbraw/zinc/54/00/55/1132540055.db2.gz POKVKFGZSVVGCI-KRWDZBQOSA-N -1 0 349.390 3.678 20 0 EHADRM COC(=O)c1oc2cc(F)ccc2c1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175161767 1132570422 /nfs/dbraw/zinc/57/04/22/1132570422.db2.gz UAECUOZBCCQKFM-UHFFFAOYSA-N -1 0 347.273 3.939 20 0 EHADRM COc1cccc(-n2ncc(C)c2Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001175158762 1132570467 /nfs/dbraw/zinc/57/04/67/1132570467.db2.gz RBAZSBGFQDXYLQ-UHFFFAOYSA-N -1 0 341.342 3.770 20 0 EHADRM COC(=O)c1nc2ccccc2cc1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175158509 1132570921 /nfs/dbraw/zinc/57/09/21/1132570921.db2.gz PDBGQSHMMQSDBI-UHFFFAOYSA-N -1 0 340.310 3.602 20 0 EHADRM O=C([O-])c1ccc(Nc2ccccc2-c2nc(CO)cs2)cc1F ZINC001175162387 1132585595 /nfs/dbraw/zinc/58/55/95/1132585595.db2.gz XGCJYYLKDHAOCE-UHFFFAOYSA-N -1 0 344.367 3.883 20 0 EHADRM CCOC(=O)c1[n-]cnc1-c1nc(-c2ccc3sccc3c2)no1 ZINC001212768288 1132585606 /nfs/dbraw/zinc/58/56/06/1132585606.db2.gz YFTJMPDLGWCOJZ-UHFFFAOYSA-N -1 0 340.364 3.518 20 0 EHADRM O=S(=O)([O-])c1cccc(Nc2cccc(O[C@H]3CCCCO3)c2)c1 ZINC001175184516 1132591083 /nfs/dbraw/zinc/59/10/83/1132591083.db2.gz BVIBKMXOWVINAG-KRWDZBQOSA-N -1 0 349.408 3.582 20 0 EHADRM C[C@H](C(=O)[N-]Oc1ccccc1)c1ccc(Br)s1 ZINC000773472054 1132594319 /nfs/dbraw/zinc/59/43/19/1132594319.db2.gz JEGOBQHHNASSGU-VIFPVBQESA-N -1 0 326.215 3.724 20 0 EHADRM C[C@H]1CCc2sc(Nc3ccc(F)c(C(=O)[O-])c3)c(C(N)=O)c2C1 ZINC001175216966 1132597726 /nfs/dbraw/zinc/59/77/26/1132597726.db2.gz KHDWZMWAIJLWNL-QMMMGPOBSA-N -1 0 348.399 3.553 20 0 EHADRM O=C(C/C=C\Cc1ccccc1)Nc1ccc(-n2ccc(=O)[nH]2)cc1 ZINC001168922650 1132606101 /nfs/dbraw/zinc/60/61/01/1132606101.db2.gz QOHKRAINZDRRSL-PLNGDYQASA-N -1 0 333.391 3.705 20 0 EHADRM O=S(=O)([O-])c1cccc(NCCOc2cccc3ccccc32)c1 ZINC001169015015 1132632808 /nfs/dbraw/zinc/63/28/08/1132632808.db2.gz PTYMQZQWENRAEF-UHFFFAOYSA-N -1 0 343.404 3.577 20 0 EHADRM Nc1cc(Br)cnc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175314638 1132634744 /nfs/dbraw/zinc/63/47/44/1132634744.db2.gz VXAURMYAKGEINC-UHFFFAOYSA-N -1 0 342.580 3.522 20 0 EHADRM CC1(C)C(=O)NCc2ccc(Nc3ccc(C(=O)[O-])c(Cl)c3)cc21 ZINC001175321713 1132637911 /nfs/dbraw/zinc/63/79/11/1132637911.db2.gz XMEDGNTTWHCHPY-UHFFFAOYSA-N -1 0 344.798 3.689 20 0 EHADRM O=C([O-])c1cccc(Nc2cn3cc(Br)ccc3n2)c1 ZINC001175327589 1132639208 /nfs/dbraw/zinc/63/92/08/1132639208.db2.gz PDNUHKBJIYHJSL-UHFFFAOYSA-N -1 0 332.157 3.539 20 0 EHADRM COc1cc(Nc2ccc(C(=O)[O-])c(Cl)c2)ccc1OC1COC1 ZINC001175321756 1132639470 /nfs/dbraw/zinc/63/94/70/1132639470.db2.gz NUUIUFYPHDFJPI-UHFFFAOYSA-N -1 0 349.770 3.568 20 0 EHADRM O=C([O-])c1cccc(Nc2ccccc2-c2nc(CO)cs2)c1 ZINC001175335019 1132641855 /nfs/dbraw/zinc/64/18/55/1132641855.db2.gz PKSKIGSDEDMJED-UHFFFAOYSA-N -1 0 326.377 3.744 20 0 EHADRM COCc1ccc([N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)cc1 ZINC000766580144 1132646618 /nfs/dbraw/zinc/64/66/18/1132646618.db2.gz KILRUMHCFJBLID-UHFFFAOYSA-N -1 0 349.383 3.828 20 0 EHADRM Cc1cc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)cc2c[nH]nc21 ZINC001175520891 1132698309 /nfs/dbraw/zinc/69/83/09/1132698309.db2.gz FDRKFLRTZIMCTP-UHFFFAOYSA-N -1 0 337.788 3.515 20 0 EHADRM COc1cc(F)c(Nc2c(C)cc(C)cc2S(=O)(=O)[O-])c(F)c1 ZINC001175724510 1132744512 /nfs/dbraw/zinc/74/45/12/1132744512.db2.gz WYRNLODEZWPIFU-UHFFFAOYSA-N -1 0 343.351 3.581 20 0 EHADRM O=S(=O)([O-])c1cccc2cc(Nc3cnn(C4CCC4)c3)ccc21 ZINC001175759422 1132759074 /nfs/dbraw/zinc/75/90/74/1132759074.db2.gz YYBFYPYQNPFGES-UHFFFAOYSA-N -1 0 343.408 3.752 20 0 EHADRM O=c1cc(CNc2nc3c(Cl)cc(Cl)cc3nc2Cl)o[n-]1 ZINC001169483973 1132765695 /nfs/dbraw/zinc/76/56/95/1132765695.db2.gz GVLFNNIQVGREQV-UHFFFAOYSA-N -1 0 345.573 3.896 20 0 EHADRM O=S(=O)([O-])c1cc(Cl)ccc1Nc1cnn(-c2ccccc2)c1 ZINC001175795036 1132769946 /nfs/dbraw/zinc/76/99/46/1132769946.db2.gz VROKKGPBLXSNHM-UHFFFAOYSA-N -1 0 349.799 3.516 20 0 EHADRM O=C([O-])c1cncc(Nc2cc(C(F)(F)F)nn2-c2ccccc2)c1 ZINC001175841010 1132772308 /nfs/dbraw/zinc/77/23/08/1132772308.db2.gz ZBFMRYIRPMJSHG-UHFFFAOYSA-N -1 0 348.284 3.728 20 0 EHADRM Cc1cc(C(=O)OC(C)(C)C)ccc1Nc1cncc(C(=O)[O-])c1 ZINC001175841386 1132772514 /nfs/dbraw/zinc/77/25/14/1132772514.db2.gz CGQVHLBJQYJZJW-UHFFFAOYSA-N -1 0 328.368 3.787 20 0 EHADRM O=C([O-])c1cncc(Nc2nccc3cc(Br)ccc32)c1 ZINC001175838186 1132773111 /nfs/dbraw/zinc/77/31/11/1132773111.db2.gz KSWYQDKJVFROEM-UHFFFAOYSA-N -1 0 344.168 3.834 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(OCc3cccnc3)cc2)cc1 ZINC000766732459 1132773405 /nfs/dbraw/zinc/77/34/05/1132773405.db2.gz DUNNEXXWFGGTKN-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM Cc1cc(Br)c(F)cc1Nc1cncc(C(=O)[O-])c1 ZINC001175842770 1132773522 /nfs/dbraw/zinc/77/35/22/1132773522.db2.gz GDRKZHWZCJEZGW-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM CC(C)(C)OC(=O)c1cc(Nc2cncc(C(=O)[O-])c2)ccc1F ZINC001175843741 1132773688 /nfs/dbraw/zinc/77/36/88/1132773688.db2.gz YRHCYDSPQWSNTC-UHFFFAOYSA-N -1 0 332.331 3.618 20 0 EHADRM CC(=O)c1cc(Br)c(C)cc1Nc1cncc(C(=O)[O-])c1 ZINC001175846749 1132774058 /nfs/dbraw/zinc/77/40/58/1132774058.db2.gz PLTXKIFOSVMFCI-UHFFFAOYSA-N -1 0 349.184 3.797 20 0 EHADRM O=C(Nc1ccc(NCc2cc(=O)[n-]o2)cc1)Oc1ccccc1 ZINC001169491484 1132776729 /nfs/dbraw/zinc/77/67/29/1132776729.db2.gz STCHEAIQDUJROE-UHFFFAOYSA-N -1 0 325.324 3.603 20 0 EHADRM O=C([O-])CC1CCN(C(=O)c2sccc2-c2ccc(F)cc2)CC1 ZINC000766859869 1132885761 /nfs/dbraw/zinc/88/57/61/1132885761.db2.gz WBEBQDCTDWLZJI-UHFFFAOYSA-N -1 0 347.411 3.881 20 0 EHADRM O=C([O-])Cn1cc(Nc2cccc3c(Br)cccc23)cn1 ZINC001176270219 1132898965 /nfs/dbraw/zinc/89/89/65/1132898965.db2.gz YUCGERYCOXIZRO-UHFFFAOYSA-N -1 0 346.184 3.627 20 0 EHADRM O=C([O-])Cn1cc(Nc2cccc(Oc3ccc(F)cc3)c2)cn1 ZINC001176272360 1132900099 /nfs/dbraw/zinc/90/00/99/1132900099.db2.gz ITSMRXYOJVHAPN-UHFFFAOYSA-N -1 0 327.315 3.643 20 0 EHADRM O=C([O-])c1cc(Nc2cccc(-c3nc(CO)cs3)c2)cs1 ZINC001176443599 1132931103 /nfs/dbraw/zinc/93/11/03/1132931103.db2.gz QCDZHALTLXIGOR-UHFFFAOYSA-N -1 0 332.406 3.806 20 0 EHADRM Cc1c(NC(=O)c2ccc3[n-]c(=S)oc3c2)cnn1CC(C)C ZINC000767148831 1132959635 /nfs/dbraw/zinc/95/96/35/1132959635.db2.gz YTNXGCBVYOPDPE-UHFFFAOYSA-N -1 0 330.413 3.530 20 0 EHADRM COC(=O)c1ccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c(C)c1 ZINC001176586540 1132960973 /nfs/dbraw/zinc/96/09/73/1132960973.db2.gz ISYJWNRUGSCCPU-UHFFFAOYSA-N -1 0 325.364 3.641 20 0 EHADRM CN1Cc2c(Nc3ccc(C4(C(=O)[O-])CC4)cc3)cccc2NC1=O ZINC001176587896 1132961697 /nfs/dbraw/zinc/96/16/97/1132961697.db2.gz DMVXLEXJGKVZOM-UHFFFAOYSA-N -1 0 337.379 3.524 20 0 EHADRM CC(C)c1cc2ncc(Nc3ccc(C4(C(=O)[O-])CC4)cc3)cn2n1 ZINC001176587351 1132961738 /nfs/dbraw/zinc/96/17/38/1132961738.db2.gz XVAOGYWSVFNGPB-UHFFFAOYSA-N -1 0 336.395 3.713 20 0 EHADRM COc1cc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)ccc1C(C)=O ZINC001176588239 1132961823 /nfs/dbraw/zinc/96/18/23/1132961823.db2.gz IKSSPDUTMIQMAH-UHFFFAOYSA-N -1 0 325.364 3.758 20 0 EHADRM CN(c1ccc(/C=C/C(=O)[O-])cc1)c1ncc(C(F)(F)F)cc1N ZINC001176590521 1132962625 /nfs/dbraw/zinc/96/26/25/1132962625.db2.gz ZOOLYTCTLFJMAC-QPJJXVBHSA-N -1 0 337.301 3.548 20 0 EHADRM COC(=O)c1nc2ccccc2cc1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176593276 1132963366 /nfs/dbraw/zinc/96/33/66/1132963366.db2.gz YDTBQUILVXRAKD-DHZHZOJOSA-N -1 0 348.358 3.863 20 0 EHADRM COC(=O)c1c(C)ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)c1F ZINC001176598460 1132976334 /nfs/dbraw/zinc/97/63/34/1132976334.db2.gz YCFGZZHPXNBECB-UXBLZVDNSA-N -1 0 329.327 3.762 20 0 EHADRM CN1Cc2cc(Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2N(C)C1=O ZINC001176597504 1132976537 /nfs/dbraw/zinc/97/65/37/1132976537.db2.gz RPCQJBUZSGFQSM-BJMVGYQFSA-N -1 0 337.379 3.530 20 0 EHADRM O=C([O-])c1ccc(Nc2ccccc2S(=O)(=O)C2CCCC2)cc1 ZINC001176713761 1132995296 /nfs/dbraw/zinc/99/52/96/1132995296.db2.gz OWVCMMSTJLLCGB-UHFFFAOYSA-N -1 0 345.420 3.845 20 0 EHADRM COc1cc(S(=O)(=O)[N-]c2ccc3ccccc3c2)cnc1Cl ZINC000767438070 1133002624 /nfs/dbraw/zinc/00/26/24/1133002624.db2.gz DHTDHTJDELXBCN-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM COC(=O)c1cc(C(F)(F)F)ccc1-c1csc(C(=O)[O-])c1 ZINC001206291524 1133029155 /nfs/dbraw/zinc/02/91/55/1133029155.db2.gz QKRGGXJGCKHVNQ-UHFFFAOYSA-N -1 0 330.283 3.919 20 0 EHADRM CN(C)c1ccc(F)cc1NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC001177123380 1133030699 /nfs/dbraw/zinc/03/06/99/1133030699.db2.gz OAOCDPFHFLLNSF-UHFFFAOYSA-N -1 0 331.372 3.574 20 0 EHADRM O=C(Nc1nc2c(s1)CSCC2)c1c([O-])cccc1Cl ZINC000804358756 1133039079 /nfs/dbraw/zinc/03/90/79/1133039079.db2.gz PXXAHOGITWTZEA-UHFFFAOYSA-N -1 0 326.830 3.544 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)sc2c1)C(F)(F)c1ccccn1 ZINC001177299796 1133048852 /nfs/dbraw/zinc/04/88/52/1133048852.db2.gz DNQBOGWRYYFTQT-UHFFFAOYSA-N -1 0 337.376 3.711 20 0 EHADRM Cc1c(Cl)cc(NC(=O)C[C@](C)(O)C(F)(F)F)c([O-])c1Cl ZINC001179813394 1133285882 /nfs/dbraw/zinc/28/58/82/1133285882.db2.gz CPASAWIRNSMLBW-NSHDSACASA-N -1 0 346.132 3.649 20 0 EHADRM O=C(Nc1ccnn1Cc1ccccc1)c1c([O-])cccc1Cl ZINC000769634820 1133319122 /nfs/dbraw/zinc/31/91/22/1133319122.db2.gz WJPFCJPKBIPDJL-UHFFFAOYSA-N -1 0 327.771 3.543 20 0 EHADRM CC(C)CNC(=O)c1ccccc1NC(=O)c1c([O-])cccc1Cl ZINC000769652628 1133325910 /nfs/dbraw/zinc/32/59/10/1133325910.db2.gz MNCZHNRYLOBMTF-UHFFFAOYSA-N -1 0 346.814 3.684 20 0 EHADRM O=C(Nc1n[nH]cc1-c1ccccc1)c1ncc2ccccc2c1[O-] ZINC001180155771 1133339554 /nfs/dbraw/zinc/33/95/54/1133339554.db2.gz PDLQXWPIGYKMSV-UHFFFAOYSA-N -1 0 330.347 3.583 20 0 EHADRM CC[C@@H](NC(=O)C1(C(=O)[O-])CCCCC1)c1ccc(F)c(F)c1 ZINC001180440306 1133370227 /nfs/dbraw/zinc/37/02/27/1133370227.db2.gz NISRXUXDRNJLDZ-CQSZACIVSA-N -1 0 325.355 3.567 20 0 EHADRM C[C@@H](NC(=O)C1(C(=O)[O-])CCCCC1)c1cccc(Cl)c1F ZINC001180438837 1133370305 /nfs/dbraw/zinc/37/03/05/1133370305.db2.gz OPNLBIKULPSLGZ-SNVBAGLBSA-N -1 0 327.783 3.691 20 0 EHADRM C[C@H](Cc1cccnc1)NC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC001180439076 1133370515 /nfs/dbraw/zinc/37/05/15/1133370515.db2.gz FRIBTVAKOUGBRC-GFCCVEGCSA-N -1 0 340.810 3.955 20 0 EHADRM Cc1c[nH]c(-c2ccccc2NC(=O)c2c([O-])cccc2Cl)n1 ZINC000770032433 1133380684 /nfs/dbraw/zinc/38/06/84/1133380684.db2.gz NERLSIDECSTYTG-UHFFFAOYSA-N -1 0 327.771 3.996 20 0 EHADRM O=C(CCn1ccc2ccccc21)Nc1cc(=O)n(-c2ccccc2)[nH]1 ZINC001180664096 1133404507 /nfs/dbraw/zinc/40/45/07/1133404507.db2.gz AIHGJMGUCPSGLY-UHFFFAOYSA-N -1 0 346.390 3.561 20 0 EHADRM C[C@H](C(=O)Nc1cc(F)cc(Cl)c1[O-])N1CCc2ccccc21 ZINC000771502309 1133566698 /nfs/dbraw/zinc/56/66/98/1133566698.db2.gz AFKGFJPMGABNBJ-SNVBAGLBSA-N -1 0 334.778 3.574 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1cccc(Br)n1 ZINC000771506077 1133567330 /nfs/dbraw/zinc/56/73/30/1133567330.db2.gz SWYBZEKTBWUEML-UHFFFAOYSA-N -1 0 345.555 3.595 20 0 EHADRM O=C(Cc1[nH]nc2ccccc21)Nc1c(Cl)ccc([O-])c1Cl ZINC001182059927 1133570162 /nfs/dbraw/zinc/57/01/62/1133570162.db2.gz FKDZUJHHCJELNF-UHFFFAOYSA-N -1 0 336.178 3.757 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccc2[nH][nH]c(=O)c2c1 ZINC001182148109 1133579275 /nfs/dbraw/zinc/57/92/75/1133579275.db2.gz NBILKHZPZRJRQU-HACGYAERSA-N -1 0 345.443 3.684 20 0 EHADRM [O-]c1c(Cl)cccc1-c1nc(-c2nnc(-c3ccccc3)o2)no1 ZINC000771789631 1133595966 /nfs/dbraw/zinc/59/59/66/1133595966.db2.gz ZVZAMDVNXKVEGW-UHFFFAOYSA-N -1 0 340.726 3.813 20 0 EHADRM O=C(NCCOc1ccc(F)cc1)c1c([O-])cc(Cl)cc1Cl ZINC001182330646 1133634492 /nfs/dbraw/zinc/63/44/92/1133634492.db2.gz DOQOWZAHQOPXAX-UHFFFAOYSA-N -1 0 344.169 3.647 20 0 EHADRM O=C(Cc1ccc2c(c1)OCC2)Nc1ccc2[n-]c(=S)sc2c1 ZINC001182650688 1133715028 /nfs/dbraw/zinc/71/50/28/1133715028.db2.gz DUFFSLJTFRUZJT-UHFFFAOYSA-N -1 0 342.445 3.701 20 0 EHADRM C[C@H](C(=O)Nc1cc(=O)[n-]c(Cl)n1)c1ccc(F)c2ccccc21 ZINC001183504471 1133818240 /nfs/dbraw/zinc/81/82/40/1133818240.db2.gz ZKWDVWXFYDUNKI-VIFPVBQESA-N -1 0 345.761 3.870 20 0 EHADRM O=C(Cc1ccc(Cl)cn1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000786502343 1133866014 /nfs/dbraw/zinc/86/60/14/1133866014.db2.gz ZNCVLUVSOWMOSY-UHFFFAOYSA-N -1 0 331.586 3.929 20 0 EHADRM O=C(Cc1cccc(-c2ccccc2)c1)Nc1cc(=O)[n-]c(Cl)n1 ZINC001184514925 1133955562 /nfs/dbraw/zinc/95/55/62/1133955562.db2.gz BSQWWOPMAAASHE-UHFFFAOYSA-N -1 0 339.782 3.684 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc3ccccc3s2)cc1C(=O)[O-] ZINC001184664281 1133973859 /nfs/dbraw/zinc/97/38/59/1133973859.db2.gz PZEMGFYUSDFFIV-UHFFFAOYSA-N -1 0 347.417 3.709 20 0 EHADRM O=S(=O)([N-]c1cc(C2CCCCC2)no1)c1cccnc1Cl ZINC001184834418 1133995708 /nfs/dbraw/zinc/99/57/08/1133995708.db2.gz GOOFLEWPRQMRSZ-UHFFFAOYSA-N -1 0 341.820 3.572 20 0 EHADRM CCc1oc2ccccc2c1CN(C)S(=O)(=O)c1ccccc1[O-] ZINC001184891614 1133998347 /nfs/dbraw/zinc/99/83/47/1133998347.db2.gz CEPWCIPINCTFIU-UHFFFAOYSA-N -1 0 345.420 3.522 20 0 EHADRM O=S(=O)([N-]c1cccc(-c2ccncc2)c1)c1cccnc1Cl ZINC001184875341 1134000636 /nfs/dbraw/zinc/00/06/36/1134000636.db2.gz NHDCIDXQPAWCDK-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM CC(C)(C)c1csc([N-]S(=O)(=O)Cc2cc(F)cc(F)c2)n1 ZINC001185083378 1134033990 /nfs/dbraw/zinc/03/39/90/1134033990.db2.gz HSWXCSURZMHSBX-UHFFFAOYSA-N -1 0 346.424 3.661 20 0 EHADRM O=S(=O)(Cc1cc(F)cc(F)c1)[N-]c1cccc2ncsc21 ZINC001185134475 1134040982 /nfs/dbraw/zinc/04/09/82/1134040982.db2.gz YPAAQBPJHCKGTC-UHFFFAOYSA-N -1 0 340.376 3.516 20 0 EHADRM O=S(=O)([N-]c1ccc2ncoc2c1)c1cc2ccccc2s1 ZINC001185420957 1134081914 /nfs/dbraw/zinc/08/19/14/1134081914.db2.gz BWNQSUHLLRVEON-UHFFFAOYSA-N -1 0 330.390 3.843 20 0 EHADRM C[C@]1(CF)CC(F)(F)CN1C(=O)C=C([O-])c1ccccc1Cl ZINC001185427420 1134083380 /nfs/dbraw/zinc/08/33/80/1134083380.db2.gz UVXCHZGFODMTDU-CQSZACIVSA-N -1 0 333.737 3.509 20 0 EHADRM C[C@H]1C(=O)CCN(C(=O)C=C([O-])c2ccccc2Cl)C12CCCC2 ZINC001185434033 1134085208 /nfs/dbraw/zinc/08/52/08/1134085208.db2.gz AZBRZCZDSJMJHW-ZDUSSCGKSA-N -1 0 347.842 3.663 20 0 EHADRM O=C1CCc2ccc([N-]S(=O)(=O)c3cc4ccccc4s3)cc21 ZINC001185455220 1134091534 /nfs/dbraw/zinc/09/15/34/1134091534.db2.gz ZVVLGYAZARZXEC-UHFFFAOYSA-N -1 0 343.429 3.831 20 0 EHADRM O=C(NCc1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1O ZINC001185480351 1134096281 /nfs/dbraw/zinc/09/62/81/1134096281.db2.gz XXMZKVFJYRJMEF-UHFFFAOYSA-N -1 0 328.265 3.872 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc3ccccc3cn2)ccc1Cl ZINC001185494903 1134098142 /nfs/dbraw/zinc/09/81/42/1134098142.db2.gz UYZVTEJSBWYFBB-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(CC(C)C)no2)ccc1Cl ZINC001185494675 1134098211 /nfs/dbraw/zinc/09/82/11/1134098211.db2.gz NXNXMDGWNXVLGT-UHFFFAOYSA-N -1 0 328.821 3.636 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cnc3ccc(O)cc3c2)ccc1Cl ZINC001185496149 1134098937 /nfs/dbraw/zinc/09/89/37/1134098937.db2.gz GMDRFIOXAALHNS-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)Nc1nc(C2CC2)cs1 ZINC000788323543 1134113263 /nfs/dbraw/zinc/11/32/63/1134113263.db2.gz WQPYHEHJCRDUEE-NSHDSACASA-N -1 0 345.424 3.528 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1cnc(Cl)c(Cl)c1 ZINC001185796969 1134134869 /nfs/dbraw/zinc/13/48/69/1134134869.db2.gz YKFLNKQXNVTMLE-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM O=C(Nc1ccc(C(=O)C2CC2)cc1)c1cc(F)c(F)c([O-])c1F ZINC001186788937 1134258167 /nfs/dbraw/zinc/25/81/67/1134258167.db2.gz YKARWMWNJIJELO-UHFFFAOYSA-N -1 0 335.281 3.655 20 0 EHADRM CC(C)(C)n1nc(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccco1 ZINC001186820982 1134262546 /nfs/dbraw/zinc/26/25/46/1134262546.db2.gz ZDYRMPDVLHLWMN-UHFFFAOYSA-N -1 0 345.424 3.699 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCCC2(C)C)c1Cl ZINC000789468140 1134280015 /nfs/dbraw/zinc/28/00/15/1134280015.db2.gz SPDVRFJFFLQDJO-LBPRGKRZSA-N -1 0 343.876 3.670 20 0 EHADRM CC(C)CCn1nccc1[N-]S(=O)(=O)c1cccc(C(F)F)c1 ZINC000775089973 1134299608 /nfs/dbraw/zinc/29/96/08/1134299608.db2.gz ODDSSLKAEBXOCD-UHFFFAOYSA-N -1 0 343.399 3.668 20 0 EHADRM O=S(=O)([N-]c1cnc2ccccc2c1)c1cc2c(s1)CCCC2 ZINC001187173885 1134310581 /nfs/dbraw/zinc/31/05/81/1134310581.db2.gz NEBCQIKICKBLAV-UHFFFAOYSA-N -1 0 344.461 3.976 20 0 EHADRM O=S(=O)([N-]c1ccc2ccccc2n1)c1cc2c(s1)CCCC2 ZINC001187174142 1134311342 /nfs/dbraw/zinc/31/13/42/1134311342.db2.gz SJDGJBVRLDVLNE-UHFFFAOYSA-N -1 0 344.461 3.976 20 0 EHADRM Cn1ccc2c1cccc2[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187208483 1134314728 /nfs/dbraw/zinc/31/47/28/1134314728.db2.gz DECAKTPYQKHBAD-UHFFFAOYSA-N -1 0 346.477 3.919 20 0 EHADRM O=C(Cc1ccc2[nH]ccc2n1)Nc1ccc2[n-]c(=S)sc2c1 ZINC001187421338 1134333601 /nfs/dbraw/zinc/33/36/01/1134333601.db2.gz LDVWIZBWBNAHGH-UHFFFAOYSA-N -1 0 340.433 3.643 20 0 EHADRM O=S(=O)(/C=C\c1ccccc1Cl)[N-]c1cccc2ocnc21 ZINC000790006360 1134357783 /nfs/dbraw/zinc/35/77/83/1134357783.db2.gz XYUUNCBWAWMOQX-HJWRWDBZSA-N -1 0 334.784 3.894 20 0 EHADRM O=S(=O)([N-]c1cccc2ocnc21)C1=Cc2ccccc2CC1 ZINC000790005885 1134357883 /nfs/dbraw/zinc/35/78/83/1134357883.db2.gz ZAVRRVQKBBSQMJ-UHFFFAOYSA-N -1 0 326.377 3.557 20 0 EHADRM O=S(=O)([N-]c1cccc(Oc2ccc(Cl)cc2)c1)c1c[nH]cn1 ZINC001187770047 1134376288 /nfs/dbraw/zinc/37/62/88/1134376288.db2.gz ZNAGNEXZZWOIRF-UHFFFAOYSA-N -1 0 349.799 3.656 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2cccc(Cl)c2)cc1)c1c[nH]cn1 ZINC001187761373 1134380881 /nfs/dbraw/zinc/38/08/81/1134380881.db2.gz LWJQIGRGGDHIMB-UHFFFAOYSA-N -1 0 333.800 3.531 20 0 EHADRM Cc1ccc(-c2ccccc2)cc1[N-]S(=O)(=O)c1nccs1 ZINC001187890706 1134398571 /nfs/dbraw/zinc/39/85/71/1134398571.db2.gz KDGIMTXESOPDHD-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM CC[C@@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1F)c1ccccc1 ZINC000790477568 1134422523 /nfs/dbraw/zinc/42/25/23/1134422523.db2.gz GAMKHGUEBQGGOO-RHSMWYFYSA-N -1 0 347.361 3.791 20 0 EHADRM O=S(=O)([N-]c1ccc2occc2c1)c1cnc(Cl)c(Cl)c1 ZINC001188076811 1134425048 /nfs/dbraw/zinc/42/50/48/1134425048.db2.gz ODMNDOWMZWKRDK-UHFFFAOYSA-N -1 0 343.191 3.935 20 0 EHADRM CC(C)c1ccc(S(=O)(=O)[N-]c2nccc3ccncc32)cc1 ZINC000790642098 1134445035 /nfs/dbraw/zinc/44/50/35/1134445035.db2.gz JHIVEWZXBJRFHS-UHFFFAOYSA-N -1 0 327.409 3.554 20 0 EHADRM COc1ccc(NC(=O)Nc2ccnc(Cl)c2[O-])cc1Cl ZINC001188443029 1134464676 /nfs/dbraw/zinc/46/46/76/1134464676.db2.gz LYUBQXZZIMAMSF-UHFFFAOYSA-N -1 0 328.155 3.747 20 0 EHADRM O=S(=O)(Nc1c(Cl)ccc2nc(Cl)ccc21)c1ccoc1 ZINC001188607825 1134481508 /nfs/dbraw/zinc/48/15/08/1134481508.db2.gz MGFZPEPJYKDKMS-UHFFFAOYSA-N -1 0 343.191 3.935 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2cccc(Cl)n2)cc1Cl ZINC000775196615 1134505768 /nfs/dbraw/zinc/50/57/68/1134505768.db2.gz OOZHXUUKHXYHQU-UHFFFAOYSA-N -1 0 349.264 3.911 20 0 EHADRM CCOc1cc(O)ccc1NC(=O)c1cc2c(cc1O)CCCC2 ZINC000791140640 1134510149 /nfs/dbraw/zinc/51/01/49/1134510149.db2.gz CPOMKTOHGAOKNP-UHFFFAOYSA-N -1 0 327.380 3.628 20 0 EHADRM O=C(OCc1csc(Br)c1)c1c(F)cc([O-])cc1F ZINC000746987902 1134518577 /nfs/dbraw/zinc/51/85/77/1134518577.db2.gz YNUFEVKVWJHWDN-UHFFFAOYSA-N -1 0 349.152 3.851 20 0 EHADRM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3cccc(C)c3n2)c1 ZINC001189191332 1134550229 /nfs/dbraw/zinc/55/02/29/1134550229.db2.gz FICNVHDQYOEGIU-UHFFFAOYSA-N -1 0 340.404 3.547 20 0 EHADRM CSc1ccccc1NS(=O)(=O)Cc1ccc(F)c(F)c1 ZINC001189309604 1134568583 /nfs/dbraw/zinc/56/85/83/1134568583.db2.gz IVOYRKIWRDZPQM-UHFFFAOYSA-N -1 0 329.393 3.629 20 0 EHADRM O=C(Nc1nccs1)Nc1ccc(Br)cc1[S-] ZINC001189387897 1134578607 /nfs/dbraw/zinc/57/86/07/1134578607.db2.gz YWOLBYJBZBRTMK-UHFFFAOYSA-N -1 0 330.232 3.838 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)cn1 ZINC001189354555 1134580146 /nfs/dbraw/zinc/58/01/46/1134580146.db2.gz IAIXKTZQZLQFRQ-UHFFFAOYSA-N -1 0 330.384 3.737 20 0 EHADRM O=S(=O)([N-]c1cn(C2CCC2)cn1)c1ccc(F)c2ccccc21 ZINC001189362423 1134581259 /nfs/dbraw/zinc/58/12/59/1134581259.db2.gz CBLBWNKLYUEBAQ-UHFFFAOYSA-N -1 0 345.399 3.701 20 0 EHADRM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(C2CCC2)cc1 ZINC000791814226 1134608546 /nfs/dbraw/zinc/60/85/46/1134608546.db2.gz PGEHHURPILSGBH-CQSZACIVSA-N -1 0 343.448 3.775 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)C[C@H](C)CC(C)(C)C)sc1C ZINC000775292996 1134615887 /nfs/dbraw/zinc/61/58/87/1134615887.db2.gz VNXQQLPZSDHSFJ-JTQLQIEISA-N -1 0 331.503 3.632 20 0 EHADRM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1cccc2ncsc21 ZINC001189823061 1134630621 /nfs/dbraw/zinc/63/06/21/1134630621.db2.gz CIKGLYAZNHWITH-UHFFFAOYSA-N -1 0 340.376 3.516 20 0 EHADRM CCCC(=CC(=O)[N-]S(=O)(=O)c1cnc2ccccc2c1)CCC ZINC000791955344 1134638609 /nfs/dbraw/zinc/63/86/09/1134638609.db2.gz PQDJRHNMETXKKG-UHFFFAOYSA-N -1 0 346.452 3.566 20 0 EHADRM CCCC[C@@H](CC)CC(=O)[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000791962806 1134638622 /nfs/dbraw/zinc/63/86/22/1134638622.db2.gz OPGBBCYJNBLTDN-CQSZACIVSA-N -1 0 348.468 3.646 20 0 EHADRM C[C@H]1C[C@@H](CF)N(C(=O)c2cc(Br)ccc2[S-])C1 ZINC001189954102 1134641390 /nfs/dbraw/zinc/64/13/90/1134641390.db2.gz UVEVAMZBWVPRBB-WPRPVWTQSA-N -1 0 332.238 3.558 20 0 EHADRM O=C(c1cc(Br)ccc1[S-])N1CCC12CCCC2 ZINC001189953389 1134641720 /nfs/dbraw/zinc/64/17/20/1134641720.db2.gz OPZALKSVFACBSR-UHFFFAOYSA-N -1 0 326.259 3.897 20 0 EHADRM O=S(=O)([N-]c1cccc2ccoc21)c1cc(F)cc(F)c1F ZINC001190390689 1134689533 /nfs/dbraw/zinc/68/95/33/1134689533.db2.gz GHJNAVOJTFBHSY-UHFFFAOYSA-N -1 0 327.283 3.651 20 0 EHADRM O=S(=O)(Nc1cccc(Cl)c1CO)c1ccc(C2CC2)cc1 ZINC001190506154 1134707974 /nfs/dbraw/zinc/70/79/74/1134707974.db2.gz IROVCKRQFMGXQA-UHFFFAOYSA-N -1 0 337.828 3.511 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2nnc(C(C)(C)C)o2)cc1 ZINC001191224553 1134829925 /nfs/dbraw/zinc/82/99/25/1134829925.db2.gz FZNKHFODKPDZIZ-UHFFFAOYSA-N -1 0 337.445 3.511 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])c1ccc(NC(=O)Nc2ccccn2)cc1 ZINC001191343570 1134846071 /nfs/dbraw/zinc/84/60/71/1134846071.db2.gz VINKYQNRIHJGMI-HNNXBMFYSA-N -1 0 327.384 3.940 20 0 EHADRM CC1(C)CCC(C)(CNS(=O)(=O)c2cccc(Cl)c2[O-])CC1 ZINC001191394234 1134854955 /nfs/dbraw/zinc/85/49/55/1134854955.db2.gz JMQWHINNTUQFMT-UHFFFAOYSA-N -1 0 345.892 3.930 20 0 EHADRM CC(C)(C)OC(=O)c1ccsc1[N-]S(=O)(=O)CC1CCCC1 ZINC001191489037 1134872645 /nfs/dbraw/zinc/87/26/45/1134872645.db2.gz IJOPSJDFKYRFHF-UHFFFAOYSA-N -1 0 345.486 3.635 20 0 EHADRM O=S(=O)(CC1CCCC1)[N-]c1ncc(Cl)cc1C(F)(F)F ZINC001191489504 1134872760 /nfs/dbraw/zinc/87/27/60/1134872760.db2.gz QRQLYZJQVOXLPC-UHFFFAOYSA-N -1 0 342.770 3.686 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC2 ZINC001191779974 1134920653 /nfs/dbraw/zinc/92/06/53/1134920653.db2.gz LROOKWUQDBDPOZ-UHFFFAOYSA-N -1 0 331.437 3.683 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1c(C)cc(F)cc1C ZINC001191835017 1134933784 /nfs/dbraw/zinc/93/37/84/1134933784.db2.gz XKKHYDCSDOKJML-UHFFFAOYSA-N -1 0 337.416 3.950 20 0 EHADRM CCn1cc([N-]S(=O)(=O)c2ccc(-c3ccc(C)cc3)cc2)cn1 ZINC001192062688 1134962894 /nfs/dbraw/zinc/96/28/94/1134962894.db2.gz AYFIANNPZZNXIH-UHFFFAOYSA-N -1 0 341.436 3.679 20 0 EHADRM Cc1cc(C(=O)Nc2cc(Cl)c(C)c(Cl)c2[O-])cc(=O)[nH]1 ZINC001192232103 1134988705 /nfs/dbraw/zinc/98/87/05/1134988705.db2.gz HZJZHSHFOJYMCI-UHFFFAOYSA-N -1 0 327.167 3.669 20 0 EHADRM Cc1cc(Cl)cc([N-]S(=O)(=O)c2cnc(Cl)cc2C)c1 ZINC001192357577 1135005152 /nfs/dbraw/zinc/00/51/52/1135005152.db2.gz BSYUCXGLUQUAKR-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM Cc1ccc2nc([N-]S(=O)(=O)c3cnc(Cl)c(C)c3)ccc2c1 ZINC001192529676 1135031824 /nfs/dbraw/zinc/03/18/24/1135031824.db2.gz OJQGYWNNBVIHPE-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)c1 ZINC001192805546 1135057328 /nfs/dbraw/zinc/05/73/28/1135057328.db2.gz KJKXMPAHMZJMLQ-UHFFFAOYSA-N -1 0 343.807 3.851 20 0 EHADRM O=C(NCCc1ccccc1C(F)(F)F)c1ccc(F)c(F)c1[O-] ZINC001192811742 1135058415 /nfs/dbraw/zinc/05/84/15/1135058415.db2.gz SYOUDOIQIXDZML-UHFFFAOYSA-N -1 0 345.267 3.662 20 0 EHADRM O=C([N-]CCSCc1ccc(Cl)cc1Cl)C(F)(F)F ZINC000775594933 1135138079 /nfs/dbraw/zinc/13/80/79/1135138079.db2.gz BVNHEHOOTUNXAG-UHFFFAOYSA-N -1 0 332.174 3.905 20 0 EHADRM O=C(c1cc(=O)[nH][n-]1)N1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC001193468030 1135140958 /nfs/dbraw/zinc/14/09/58/1135140958.db2.gz DAFWOPFEMIZDOG-CYBMUJFWSA-N -1 0 339.317 3.502 20 0 EHADRM O=C(Nc1cncc(-c2ccccc2)c1)c1ccc(F)c([O-])c1F ZINC001193769045 1135184769 /nfs/dbraw/zinc/18/47/69/1135184769.db2.gz ADLBUOHEGBACIY-UHFFFAOYSA-N -1 0 326.302 3.985 20 0 EHADRM CC(=O)c1cccnc1[N-]S(=O)(=O)c1ccc(C)c2ccccc21 ZINC001193833452 1135191039 /nfs/dbraw/zinc/19/10/39/1135191039.db2.gz OTUAXGYWIPXNQK-UHFFFAOYSA-N -1 0 340.404 3.547 20 0 EHADRM CCCC[C@@H](CC)COC(=O)Nc1cccc(S(=O)(=O)[O-])c1 ZINC001193966902 1135207406 /nfs/dbraw/zinc/20/74/06/1135207406.db2.gz COUJKVKRTVXTHD-GFCCVEGCSA-N -1 0 329.418 3.698 20 0 EHADRM CSc1cncc(C(=O)Nc2ccc3[n-]c(=S)sc3c2)c1 ZINC001194090573 1135231093 /nfs/dbraw/zinc/23/10/93/1135231093.db2.gz AUJNKTAHQAGZKA-UHFFFAOYSA-N -1 0 333.463 3.954 20 0 EHADRM Cc1ncnc(C)c1[N-]S(=O)(=O)c1ccc(-c2cccs2)cc1 ZINC001194145611 1135233489 /nfs/dbraw/zinc/23/34/89/1135233489.db2.gz JWSDTXVMASTBJN-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1ccc(Cn2ccnc2)cc1 ZINC000805255289 1135253927 /nfs/dbraw/zinc/25/39/27/1135253927.db2.gz OUEWEXAMNOSQGK-UHFFFAOYSA-N -1 0 345.761 3.682 20 0 EHADRM CCc1cccc([N-]S(=O)(=O)c2cccc3c(Cl)nccc32)n1 ZINC001194464782 1135271254 /nfs/dbraw/zinc/27/12/54/1135271254.db2.gz PVIYDNATSFTOIM-UHFFFAOYSA-N -1 0 347.827 3.646 20 0 EHADRM CCCCCC[C@H](C)NS(=O)(=O)c1ncccc1C(F)(F)F ZINC001194586887 1135289112 /nfs/dbraw/zinc/28/91/12/1135289112.db2.gz SXYHTGQLKDTYNE-NSHDSACASA-N -1 0 338.395 3.738 20 0 EHADRM COc1cc(C)c(S(=O)(=O)Nc2ccccc2[S-])c(C)c1C ZINC001194864467 1135332591 /nfs/dbraw/zinc/33/25/91/1135332591.db2.gz NUCMYGRBAYOSPW-UHFFFAOYSA-N -1 0 337.466 3.710 20 0 EHADRM CC(C)c1cccc([N-]S(=O)(=O)c2cccc3nccnc32)c1 ZINC001194932919 1135348905 /nfs/dbraw/zinc/34/89/05/1135348905.db2.gz MJNHQTSKVCGJLA-UHFFFAOYSA-N -1 0 327.409 3.554 20 0 EHADRM CCCCc1ccccc1[N-]S(=O)(=O)c1cccc2nccnc21 ZINC001194981048 1135350722 /nfs/dbraw/zinc/35/07/22/1135350722.db2.gz MOFHTGZJLBPBCG-UHFFFAOYSA-N -1 0 341.436 3.773 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cc(-c3ccccn3)no2)c1 ZINC001195120417 1135372553 /nfs/dbraw/zinc/37/25/53/1135372553.db2.gz NGIFFAJXGFVSLT-UHFFFAOYSA-N -1 0 343.408 3.661 20 0 EHADRM CC(C)([N-]C(=O)C(F)(F)F)C(=O)Oc1cccc(C2CCCC2)c1 ZINC001130487852 1135377434 /nfs/dbraw/zinc/37/74/34/1135377434.db2.gz YSXWWTCCPQERTJ-UHFFFAOYSA-N -1 0 343.345 3.707 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cccc([C@H](C)O)c1 ZINC001195267297 1135401938 /nfs/dbraw/zinc/40/19/38/1135401938.db2.gz BDKKMGLRMICNFW-NSHDSACASA-N -1 0 325.817 3.503 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1nc(C)c(C)nc1Cl ZINC001195279283 1135404333 /nfs/dbraw/zinc/40/43/33/1135404333.db2.gz WZZMYPQDHBTZLS-UHFFFAOYSA-N -1 0 346.239 3.509 20 0 EHADRM O=C(N[C@@H]1CCCc2ccccc21)c1c([O-])c(F)c(F)c(F)c1F ZINC001195280065 1135404713 /nfs/dbraw/zinc/40/47/13/1135404713.db2.gz WXBWIPZANULCBN-SNVBAGLBSA-N -1 0 339.288 3.756 20 0 EHADRM O=C(c1c([O-])c(F)c(F)c(F)c1F)N1CCCC2(CC(F)C2)CC1 ZINC001195297051 1135408176 /nfs/dbraw/zinc/40/81/76/1135408176.db2.gz YPCHGNYQBZMYJF-UHFFFAOYSA-N -1 0 349.299 3.693 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2c(C)cccc2Cl)c(O)c1 ZINC001195310307 1135411621 /nfs/dbraw/zinc/41/16/21/1135411621.db2.gz XXWVHQLVQYJGSX-UHFFFAOYSA-N -1 0 325.817 3.717 20 0 EHADRM COc1ccc(F)cc1[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC001195309671 1135411870 /nfs/dbraw/zinc/41/18/70/1135411870.db2.gz MPCZNUMKYJYAEB-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM O=C(NCC1(c2ccccc2)CCOCC1)c1cccc(Cl)c1[O-] ZINC000775658363 1135423710 /nfs/dbraw/zinc/42/37/10/1135423710.db2.gz NOMKBLGNSVBORN-UHFFFAOYSA-N -1 0 345.826 3.524 20 0 EHADRM O=C(Nc1c(Cl)ccc([O-])c1Cl)c1cccnc1OC(F)F ZINC001195735594 1135464278 /nfs/dbraw/zinc/46/42/78/1135464278.db2.gz WGCXZRCXHJSGQK-UHFFFAOYSA-N -1 0 349.120 3.948 20 0 EHADRM COc1cc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1cccs1 ZINC001250923411 1135484618 /nfs/dbraw/zinc/48/46/18/1135484618.db2.gz XHEDVRNBXXEEOT-UHFFFAOYSA-N -1 0 337.344 3.576 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)cc1C ZINC000775679376 1135503741 /nfs/dbraw/zinc/50/37/41/1135503741.db2.gz YTKZIJSDOMKFRR-VMPCVLLUSA-N -1 0 337.420 3.714 20 0 EHADRM O=C([N-]OC1CCCCC1)C(=O)Nc1cccc(-c2ccccc2)c1 ZINC000806987615 1135512548 /nfs/dbraw/zinc/51/25/48/1135512548.db2.gz OLZJGAJMVCJYAJ-UHFFFAOYSA-N -1 0 338.407 3.673 20 0 EHADRM O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1cccc(Cl)c1[O-] ZINC000775698667 1135532724 /nfs/dbraw/zinc/53/27/24/1135532724.db2.gz VDFVPIJEZRMJNR-HOTGVXAUSA-N -1 0 331.799 3.696 20 0 EHADRM CCc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC001196244701 1135539958 /nfs/dbraw/zinc/53/99/58/1135539958.db2.gz BZNWNRVRGLMAFS-UHFFFAOYSA-N -1 0 331.224 3.752 20 0 EHADRM O=S(=O)([N-]c1ccc(F)nc1)c1ccc2cc(Cl)ccc2c1 ZINC001196414018 1135559929 /nfs/dbraw/zinc/55/99/29/1135559929.db2.gz GMKBUIHVDSUQOI-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM O=S(=O)([N-]c1cccc(F)n1)c1ccc2cc(Cl)ccc2c1 ZINC001196414333 1135561125 /nfs/dbraw/zinc/56/11/25/1135561125.db2.gz NHMJNVOMEPHXSC-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM O=C(c1cc(Cl)c(F)cc1[O-])N1CC[C@@H]1COCc1ccccc1 ZINC001196463736 1135563034 /nfs/dbraw/zinc/56/30/34/1135563034.db2.gz YSTXSXVUSVPGBE-CYBMUJFWSA-N -1 0 349.789 3.616 20 0 EHADRM O=C(Nc1ccccc1-c1ncc[nH]1)c1cc(Cl)c(F)cc1[O-] ZINC001196466868 1135564161 /nfs/dbraw/zinc/56/41/61/1135564161.db2.gz LODWHKAUNBMONM-UHFFFAOYSA-N -1 0 331.734 3.827 20 0 EHADRM Cc1cc2cc([N-]S(=O)(=O)c3ccc(Cl)nc3C)ccc2[nH]1 ZINC000808075678 1135613138 /nfs/dbraw/zinc/61/31/38/1135613138.db2.gz WTQFEOLNHVKXAR-UHFFFAOYSA-N -1 0 335.816 3.634 20 0 EHADRM C[C@@H]1CN(C(=O)c2cccc(Cl)c2[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000775756322 1135643414 /nfs/dbraw/zinc/64/34/14/1135643414.db2.gz FWEIDIRWPUMSJW-BZNIZROVSA-N -1 0 349.789 3.787 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2ccc(C(F)(F)F)cn2)cc1 ZINC001197069858 1135646999 /nfs/dbraw/zinc/64/69/99/1135646999.db2.gz QCPWEEZOZOCBRV-UHFFFAOYSA-N -1 0 341.314 3.608 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N2Cc3ccc(Cl)cc3C2)cc1 ZINC001197103598 1135650027 /nfs/dbraw/zinc/65/00/27/1135650027.db2.gz PLXRIZRNGFHEDV-UHFFFAOYSA-N -1 0 332.812 3.751 20 0 EHADRM CC(=O)c1ccc(F)cc1NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197116613 1135651306 /nfs/dbraw/zinc/65/13/06/1135651306.db2.gz VAZUYXQQSWUWTJ-UHFFFAOYSA-N -1 0 332.356 3.535 20 0 EHADRM C[C@@H](NC(=O)c1cccc(Cl)c1[O-])c1nc(C2CCCCC2)no1 ZINC000775766432 1135668500 /nfs/dbraw/zinc/66/85/00/1135668500.db2.gz XWDZLHRMZIPMGC-SNVBAGLBSA-N -1 0 349.818 3.967 20 0 EHADRM O=C(NC[C@H](O)c1ccc2ccccc2c1)c1cccc(Cl)c1[O-] ZINC000775773016 1135688280 /nfs/dbraw/zinc/68/82/80/1135688280.db2.gz GEUZYSHDDUVNKS-KRWDZBQOSA-N -1 0 341.794 3.662 20 0 EHADRM O=S(=O)(Cc1cccnc1)[N-]c1ccccc1Oc1ccccc1 ZINC001197457986 1135696607 /nfs/dbraw/zinc/69/66/07/1135696607.db2.gz NFXTVBXWUHDLSQ-UHFFFAOYSA-N -1 0 340.404 3.816 20 0 EHADRM O=S(=O)(Cc1c(F)cccc1F)Nc1ccc(Cl)cc1[S-] ZINC001197603555 1135714925 /nfs/dbraw/zinc/71/49/25/1135714925.db2.gz UGTNEGQLDJONHP-UHFFFAOYSA-N -1 0 349.811 3.849 20 0 EHADRM C[C@H]([N-]C(=O)C(F)(F)c1cccc(Br)c1)C(F)(F)F ZINC001131466265 1135743111 /nfs/dbraw/zinc/74/31/11/1135743111.db2.gz XQOPIRDDNLXIHP-LURJTMIESA-N -1 0 346.093 3.608 20 0 EHADRM CC(C)(C)c1nc(CCNC(=O)c2cccc(Cl)c2[O-])cs1 ZINC000775804317 1135754555 /nfs/dbraw/zinc/75/45/55/1135754555.db2.gz HZOYTYISQIRVCN-UHFFFAOYSA-N -1 0 338.860 3.772 20 0 EHADRM Cc1ccc(C(F)(F)F)c([N-]S(=O)(=O)c2cc(C)ccn2)c1 ZINC001198004812 1135760664 /nfs/dbraw/zinc/76/06/64/1135760664.db2.gz VGDFDHLXJQSKBG-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM CCC(CC)Oc1ccc([N-]S(=O)(=O)c2cc(C)ccn2)cc1 ZINC001198009693 1135761700 /nfs/dbraw/zinc/76/17/00/1135761700.db2.gz SGOKQWSDCQUZJB-UHFFFAOYSA-N -1 0 334.441 3.758 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccccc2)cn1)c1cccc(Cl)n1 ZINC001198197058 1135787544 /nfs/dbraw/zinc/78/75/44/1135787544.db2.gz JLIMFPJQIBLIES-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM Cc1cccc(C)c1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000081668847 1135807348 /nfs/dbraw/zinc/80/73/48/1135807348.db2.gz LJUCMZKXPUAPCQ-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM Cc1ncc(S(=O)(=O)[N-]c2ccc(CCC(C)(C)C)cc2)n1C ZINC001198406610 1135811062 /nfs/dbraw/zinc/81/10/62/1135811062.db2.gz KLKLNAZTZAPBDO-UHFFFAOYSA-N -1 0 335.473 3.508 20 0 EHADRM Cc1ncccc1[N-]S(=O)(=O)c1ccccc1Oc1ccccc1 ZINC001198432422 1135814161 /nfs/dbraw/zinc/81/41/61/1135814161.db2.gz HNSLIKPFWADATM-UHFFFAOYSA-N -1 0 340.404 3.983 20 0 EHADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)c1nc(CCC2CCCCC2)no1 ZINC000809335527 1135827797 /nfs/dbraw/zinc/82/77/97/1135827797.db2.gz DJTZJNQOZOLJLT-ZDUSSCGKSA-N -1 0 347.381 3.958 20 0 EHADRM O=C(NCc1ccccc1CC(F)(F)F)c1cccc(F)c1[O-] ZINC001131853276 1135885919 /nfs/dbraw/zinc/88/59/19/1135885919.db2.gz LXNKBWGPTRWSGU-UHFFFAOYSA-N -1 0 327.277 3.566 20 0 EHADRM Cc1nc(Cl)cc(NC(=O)c2cc(-c3cccc(Cl)c3)no2)n1 ZINC001199312268 1135895509 /nfs/dbraw/zinc/89/55/09/1135895509.db2.gz LBPRLNXXZGTNHQ-UHFFFAOYSA-N -1 0 349.177 3.999 20 0 EHADRM COc1cnc(C(=O)Nc2cc(Cl)c(C)c(Cl)c2[O-])c(C)c1 ZINC001199757493 1135927226 /nfs/dbraw/zinc/92/72/26/1135927226.db2.gz MIYDZFKLRQNFNL-UHFFFAOYSA-N -1 0 341.194 3.972 20 0 EHADRM Cc1cc(=O)oc2cc(Nc3cc(F)c(C(=O)[O-])c(F)c3)ccc12 ZINC001203324318 1135985930 /nfs/dbraw/zinc/98/59/30/1135985930.db2.gz HSLPUBJAPVPSCK-UHFFFAOYSA-N -1 0 331.274 3.821 20 0 EHADRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1ccnc(C(C)(C)C)c1 ZINC001201733620 1136062259 /nfs/dbraw/zinc/06/22/59/1136062259.db2.gz WDTCXGXXDAPHSL-UHFFFAOYSA-N -1 0 345.877 3.598 20 0 EHADRM C[C@@H](c1ccco1)N(C(=O)c1cc(C(=O)[O-])ccc1Cl)C1CC1 ZINC000811817194 1136144836 /nfs/dbraw/zinc/14/48/36/1136144836.db2.gz JEAJSAMFXDQFTQ-JTQLQIEISA-N -1 0 333.771 3.997 20 0 EHADRM CON(Cc1ccccc1Cl)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000812429095 1136207167 /nfs/dbraw/zinc/20/71/67/1136207167.db2.gz GAHQZJXCWLBGEN-UHFFFAOYSA-N -1 0 327.714 3.528 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C(F)(F)Cc2ccccc2)c1 ZINC000812703429 1136235350 /nfs/dbraw/zinc/23/53/50/1136235350.db2.gz BWOPYWIZLVCCDD-UHFFFAOYSA-N -1 0 333.334 3.801 20 0 EHADRM Cc1cc(SCC(=O)[N-]OC2CCC2)c(C)cc1Br ZINC000812787084 1136247073 /nfs/dbraw/zinc/24/70/73/1136247073.db2.gz CAIXKAGRIAFJDD-UHFFFAOYSA-N -1 0 344.274 3.758 20 0 EHADRM CC(C)c1ccc(-n2ccnc2SCC(=O)[N-]OC2CCC2)cc1 ZINC000812794882 1136251430 /nfs/dbraw/zinc/25/14/30/1136251430.db2.gz GNSGXIBURISXNI-UHFFFAOYSA-N -1 0 345.468 3.688 20 0 EHADRM CC(C)OCCO[N-]C(=O)CSc1ccc2c3c(cccc31)CC2 ZINC000812804361 1136254164 /nfs/dbraw/zinc/25/41/64/1136254164.db2.gz IDEFPVGJNSXDCG-UHFFFAOYSA-N -1 0 345.464 3.503 20 0 EHADRM O=C([N-]c1nc(C2CC2)no1)c1coc(-c2ccccc2Cl)n1 ZINC000776477692 1136292920 /nfs/dbraw/zinc/29/29/20/1136292920.db2.gz ZXZMBYUZCACCBE-UHFFFAOYSA-N -1 0 330.731 3.508 20 0 EHADRM O=C([N-]OCC1CCC1)C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000850717615 1136297335 /nfs/dbraw/zinc/29/73/35/1136297335.db2.gz LZGCSQAUTFQOFP-UHFFFAOYSA-N -1 0 348.468 3.508 20 0 EHADRM CC1=CC[C@](C)(C(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)CC1 ZINC000850797803 1136307839 /nfs/dbraw/zinc/30/78/39/1136307839.db2.gz SXMVDMFQYRYIPV-IBGZPJMESA-N -1 0 345.464 3.556 20 0 EHADRM CC1(C)CC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000850838904 1136310362 /nfs/dbraw/zinc/31/03/62/1136310362.db2.gz XRLOVXMMPZEJTD-KRWDZBQOSA-N -1 0 343.448 3.595 20 0 EHADRM CCN(C(=O)c1nn(-c2ccccc2)cc1[O-])c1ccc(Cl)cc1 ZINC000813407222 1136328563 /nfs/dbraw/zinc/32/85/63/1136328563.db2.gz YUIPYCSEZUDWJQ-UHFFFAOYSA-N -1 0 341.798 3.898 20 0 EHADRM CC1=CC[C@@](C)(C(=O)[N-]S(=O)(=O)[C@@H]2CCCc3ccccc32)CC1 ZINC000851060653 1136333613 /nfs/dbraw/zinc/33/36/13/1136333613.db2.gz SELVIIUPWLZVBG-IEBWSBKVSA-N -1 0 347.480 3.647 20 0 EHADRM CC(C)(C)c1cnc([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)s1 ZINC000747858923 1136348964 /nfs/dbraw/zinc/34/89/64/1136348964.db2.gz LTDUBSAOOOKNEO-CMDGGOBGSA-N -1 0 340.445 3.992 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H](C)CC1CCCC1 ZINC000814017565 1136386570 /nfs/dbraw/zinc/38/65/70/1136386570.db2.gz ZLJAWUBLBSQBOT-WMLDXEAASA-N -1 0 337.485 3.800 20 0 EHADRM CC(C)C[C@H](NC(=O)c1ccc(/C=C\C(=O)[O-])o1)c1ccccc1 ZINC000851593538 1136395018 /nfs/dbraw/zinc/39/50/18/1136395018.db2.gz ZTJUFXNNEONFIA-SLWQEBJJSA-N -1 0 327.380 3.895 20 0 EHADRM O=C([O-])CC1CCN(C(=O)c2cccc(SC(F)(F)F)c2)CC1 ZINC000851593311 1136395040 /nfs/dbraw/zinc/39/50/40/1136395040.db2.gz SHLDIPUSLMNWCM-UHFFFAOYSA-N -1 0 347.358 3.625 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851601308 1136395732 /nfs/dbraw/zinc/39/57/32/1136395732.db2.gz KPQKLXCZPMWDKZ-YBHKSSGVSA-N -1 0 341.407 3.779 20 0 EHADRM CC[C@H](Cc1ccccc1)N(CC)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851602343 1136395901 /nfs/dbraw/zinc/39/59/01/1136395901.db2.gz RUDLOQNDFWVSGA-SICOMBFOSA-N -1 0 341.407 3.861 20 0 EHADRM Cc1cccc(C)c1[C@H]1CCCN1C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851608814 1136395991 /nfs/dbraw/zinc/39/59/91/1136395991.db2.gz FDMOFKQWEPARJR-HGPCXVNDSA-N -1 0 339.391 3.972 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)c1sccc1-c1ccc(F)cc1 ZINC000851625751 1136396880 /nfs/dbraw/zinc/39/68/80/1136396880.db2.gz UTMXVRLJCDPKBY-KDOFPFPSSA-N -1 0 347.411 3.927 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N[C@@H]1CCC[C@]1(C)C(=O)[O-] ZINC000851625037 1136396948 /nfs/dbraw/zinc/39/69/48/1136396948.db2.gz QSVWVKGNCKIFOV-KDOFPFPSSA-N -1 0 347.436 3.669 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2cccc(SC(F)(F)F)c2)C1 ZINC000851694372 1136399910 /nfs/dbraw/zinc/39/99/10/1136399910.db2.gz GPNFCRWWYABXNX-JTQLQIEISA-N -1 0 347.358 3.625 20 0 EHADRM CCCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1cc(C)oc1C ZINC000776564451 1136434336 /nfs/dbraw/zinc/43/43/36/1136434336.db2.gz SGHXOTAGPXTEEV-CQSZACIVSA-N -1 0 329.462 3.698 20 0 EHADRM C/C(=C\C(=O)N([C@@H](C)C(=O)[O-])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000776618882 1136482447 /nfs/dbraw/zinc/48/24/47/1136482447.db2.gz FHMZLCGYQMRYMA-USKTWTLRSA-N -1 0 341.329 3.573 20 0 EHADRM C/C(=C/C(=O)N([C@H](C)C(=O)[O-])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000776618877 1136482554 /nfs/dbraw/zinc/48/25/54/1136482554.db2.gz FHMZLCGYQMRYMA-DWOQACPDSA-N -1 0 341.329 3.573 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1c1nccc2ccc(Br)cc21 ZINC000852911931 1136493174 /nfs/dbraw/zinc/49/31/74/1136493174.db2.gz JDNNDHQGODZXLO-JQWIXIFHSA-N -1 0 349.228 3.687 20 0 EHADRM Cc1nc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)sc1-c1ccccc1 ZINC000852952488 1136494367 /nfs/dbraw/zinc/49/43/67/1136494367.db2.gz YPFBADRLTRXQIZ-LBPRGKRZSA-N -1 0 332.425 3.804 20 0 EHADRM CCc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2F)s1 ZINC000776658303 1136527307 /nfs/dbraw/zinc/52/73/07/1136527307.db2.gz IPPJVOHZSXHNPR-ZDUSSCGKSA-N -1 0 339.363 3.535 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCCC1CCCC1)c1ccc(F)cc1F ZINC000776660450 1136529123 /nfs/dbraw/zinc/52/91/23/1136529123.db2.gz WKSQQRZNIKODSP-MRXNPFEDSA-N -1 0 339.382 3.957 20 0 EHADRM CC(C)(C)/C=C/C(=O)N[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000776683088 1136545347 /nfs/dbraw/zinc/54/53/47/1136545347.db2.gz JBOIXPHXCJJEGY-IHVVCDCBSA-N -1 0 344.238 3.708 20 0 EHADRM CC1(CC(F)(F)F)CN(C(=O)c2ccc3oc(=S)[n-]c3c2)C1 ZINC000854897417 1136651428 /nfs/dbraw/zinc/65/14/28/1136651428.db2.gz YWLNQGUSMBZOOI-UHFFFAOYSA-N -1 0 330.331 3.531 20 0 EHADRM COc1cc2c(cc1F)CC[C@@H]2N=c1nc(-c2ccccc2)[n-]s1 ZINC000509479533 1136663217 /nfs/dbraw/zinc/66/32/17/1136663217.db2.gz YXINLRMTXLJUBU-HNNXBMFYSA-N -1 0 341.411 3.874 20 0 EHADRM Cc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)[C@H](c2ccccc2)C(C)C)o1 ZINC000816108354 1136677232 /nfs/dbraw/zinc/67/72/32/1136677232.db2.gz FFKSZIHBBDIOFB-PBHICJAKSA-N -1 0 349.452 3.535 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H](C)C1CCCC1 ZINC000816111634 1136677728 /nfs/dbraw/zinc/67/77/28/1136677728.db2.gz CLDCZSVFWFFYCV-WMLDXEAASA-N -1 0 337.485 3.656 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@H]1C=CCCC1 ZINC000816113327 1136678191 /nfs/dbraw/zinc/67/81/91/1136678191.db2.gz PSIPOXVLPDPGAT-MAUKXSAKSA-N -1 0 335.469 3.576 20 0 EHADRM Cc1ccc(NC(=O)c2cc(C(=O)OC(C)(C)C)[n-]n2)cc1Cl ZINC001135507819 1136698674 /nfs/dbraw/zinc/69/86/74/1136698674.db2.gz MIXTVSBSHQSWDG-UHFFFAOYSA-N -1 0 335.791 3.579 20 0 EHADRM O=C(Nc1ccc2c(c1)[C@@H](O)CCCC2)c1s[n-]c(=O)c1Cl ZINC000855546928 1136704287 /nfs/dbraw/zinc/70/42/87/1136704287.db2.gz QSLPXGGTKCQFOC-NSHDSACASA-N -1 0 338.816 3.514 20 0 EHADRM O=C(Nc1c(=O)[nH][n-]c1-c1ccccc1)c1cc(O)c2ccccc2c1 ZINC000816752992 1136751557 /nfs/dbraw/zinc/75/15/57/1136751557.db2.gz UZAUSABUMBTPED-UHFFFAOYSA-N -1 0 345.358 3.893 20 0 EHADRM O=C(Nc1nc(-c2ccc[nH]2)cs1)c1ccc2oc(=S)[n-]c2c1 ZINC000816833152 1136755697 /nfs/dbraw/zinc/75/56/97/1136755697.db2.gz YTZTYOQEUJBYRS-UHFFFAOYSA-N -1 0 342.405 3.820 20 0 EHADRM O=C(Nc1ccc(-c2c[nH]cn2)cc1)c1ccc2oc(=S)[n-]c2c1 ZINC001135735877 1136761319 /nfs/dbraw/zinc/76/13/19/1136761319.db2.gz VAOHCAQNSAULGT-UHFFFAOYSA-N -1 0 336.376 3.759 20 0 EHADRM O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(Cl)c([O-])c1 ZINC001135729464 1136763000 /nfs/dbraw/zinc/76/30/00/1136763000.db2.gz JMZRZTWQNYNDNV-UHFFFAOYSA-N -1 0 329.705 3.994 20 0 EHADRM CCC(CC)[C@@H]1C[C@H](NC(=O)c2ccc3oc(=S)[n-]c3c2)CCO1 ZINC000816964889 1136770075 /nfs/dbraw/zinc/77/00/75/1136770075.db2.gz MYSGSPMINNVJHO-CJNGLKHVSA-N -1 0 348.468 3.830 20 0 EHADRM CCc1cc([N-]S(=O)(=O)c2cc(C(C)C)ccc2Cl)nn1C ZINC000817355589 1136798522 /nfs/dbraw/zinc/79/85/22/1136798522.db2.gz ZGZNPGSVHWGSMU-UHFFFAOYSA-N -1 0 341.864 3.560 20 0 EHADRM CC(C)(C(=O)[N-]OCCC1CC1)c1ccc(OC(F)(F)F)cc1 ZINC000817412477 1136806244 /nfs/dbraw/zinc/80/62/44/1136806244.db2.gz BIXUCYZVKXANSG-UHFFFAOYSA-N -1 0 331.334 3.711 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2ccc(SC(F)F)cc2)CCC1 ZINC000817570454 1136820900 /nfs/dbraw/zinc/82/09/00/1136820900.db2.gz CXPZLDIZKMUHOC-UHFFFAOYSA-N -1 0 329.368 3.975 20 0 EHADRM C/C(=C/C(=O)N1CCC([C@@H](CC(=O)[O-])c2ccccc2)CC1)C1CC1 ZINC000856929841 1136825233 /nfs/dbraw/zinc/82/52/33/1136825233.db2.gz YWFOKHQAPOMGQB-ZDRDQBANSA-N -1 0 341.451 3.840 20 0 EHADRM O=S(=O)([O-])c1cccc(-c2cnc(Cl)c(Cl)c2Cl)c1 ZINC001245808163 1136841660 /nfs/dbraw/zinc/84/16/60/1136841660.db2.gz VIQCVTDYYDCYLG-UHFFFAOYSA-N -1 0 338.599 3.956 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2sccc2-c2ccc(F)cc2)C1 ZINC000817873758 1136842986 /nfs/dbraw/zinc/84/29/86/1136842986.db2.gz JKBDFNJAPGDJQE-YPMHNXCESA-N -1 0 347.411 3.737 20 0 EHADRM CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc(Cl)c([O-])c1 ZINC001136070220 1136848979 /nfs/dbraw/zinc/84/89/79/1136848979.db2.gz RGEAERILTDIAJM-UHFFFAOYSA-N -1 0 341.741 3.919 20 0 EHADRM CC(C)Cn1ccnc1NC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000857446044 1136871795 /nfs/dbraw/zinc/87/17/95/1136871795.db2.gz YKIQPBZCWFRMAB-UHFFFAOYSA-N -1 0 327.306 3.516 20 0 EHADRM CC(C)(Oc1cccc(Cl)c1)C(=O)[N-]OCc1ccc(F)cc1 ZINC000857485028 1136876599 /nfs/dbraw/zinc/87/65/99/1136876599.db2.gz OZTYGHJCNJWLQA-UHFFFAOYSA-N -1 0 337.778 3.885 20 0 EHADRM CC1CCN(c2ccc(NC(=O)NCCC(C)(C)C(=O)[O-])cc2)CC1 ZINC000818624075 1136886736 /nfs/dbraw/zinc/88/67/36/1136886736.db2.gz QYPWWVHCCHULQJ-UHFFFAOYSA-N -1 0 347.459 3.545 20 0 EHADRM C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1Br)C(F)(F)F ZINC000819624625 1136954027 /nfs/dbraw/zinc/95/40/27/1136954027.db2.gz YJECJWCYGKPGDZ-ZCFIWIBFSA-N -1 0 346.093 3.608 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@]2(C)CCOc3ccccc32)c1 ZINC000819978319 1136967940 /nfs/dbraw/zinc/96/79/40/1136967940.db2.gz QNJVHMLMFBHLIG-FQEVSTJZSA-N -1 0 339.391 3.664 20 0 EHADRM C[C@@H]1CCCCCN1C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000820008519 1136969718 /nfs/dbraw/zinc/96/97/18/1136969718.db2.gz SXNDXMBGDBFEFU-CYBMUJFWSA-N -1 0 327.380 3.869 20 0 EHADRM Cc1n[nH]c(C(=O)N[C@H](c2ccsc2)c2ccc(Cl)cc2)c1[O-] ZINC001136375984 1137004268 /nfs/dbraw/zinc/00/42/68/1137004268.db2.gz LAPBYSGPTDLVNT-ZDUSSCGKSA-N -1 0 347.827 3.658 20 0 EHADRM O=C([O-])[C@]1(F)CC[N@H+](Cc2ccc(Oc3cccc(F)c3)cc2)C1 ZINC000859810834 1137031685 /nfs/dbraw/zinc/03/16/85/1137031685.db2.gz VGLUHNSEHOWGCA-SFHVURJKSA-N -1 0 333.334 3.617 20 0 EHADRM CC[C@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])C1CCCCC1 ZINC001136519428 1137043437 /nfs/dbraw/zinc/04/34/37/1137043437.db2.gz RWFLBIYCDCGHHK-INIZCTEOSA-N -1 0 327.428 3.667 20 0 EHADRM CC[C@@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])C1CCCCC1 ZINC001136519429 1137043490 /nfs/dbraw/zinc/04/34/90/1137043490.db2.gz RWFLBIYCDCGHHK-MRXNPFEDSA-N -1 0 327.428 3.667 20 0 EHADRM O=C(Nc1scnc1-c1ccccc1)c1s[n-]c(=O)c1Cl ZINC001136620743 1137071747 /nfs/dbraw/zinc/07/17/47/1137071747.db2.gz ZWRATTQZXIDPPY-UHFFFAOYSA-N -1 0 337.813 3.878 20 0 EHADRM Cc1ccc(SCC(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000013401948 1137080881 /nfs/dbraw/zinc/08/08/81/1137080881.db2.gz XNPXSTTXAJXZOG-IZZDOVSWSA-N -1 0 327.405 3.824 20 0 EHADRM COc1ccc(SCC(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000013404378 1137080913 /nfs/dbraw/zinc/08/09/13/1137080913.db2.gz WOINKSCWHWZASO-NYYWCZLTSA-N -1 0 343.404 3.524 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2c(C)cccc2C(=O)[O-])cc1 ZINC000013432609 1137082202 /nfs/dbraw/zinc/08/22/02/1137082202.db2.gz LJCAKDMPDBFOPP-UHFFFAOYSA-N -1 0 327.380 3.799 20 0 EHADRM O=C([N-]c1nnc(C2CCCCC2)s1)c1conc1C(F)(F)F ZINC000823120304 1137088027 /nfs/dbraw/zinc/08/80/27/1137088027.db2.gz LOOMVLYUWFCLPE-UHFFFAOYSA-N -1 0 346.334 3.845 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)c1cccc([C@H]2CCOC2)c1)C(=O)[O-] ZINC000823328692 1137095235 /nfs/dbraw/zinc/09/52/35/1137095235.db2.gz ZKOSFVHQKSMLBT-FXAWDEMLSA-N -1 0 347.455 3.734 20 0 EHADRM CC[C@H](C)c1cccc([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)c1 ZINC000863417140 1137185506 /nfs/dbraw/zinc/18/55/06/1137185506.db2.gz UVAPEEFFWPAHEP-JTQLQIEISA-N -1 0 341.864 3.696 20 0 EHADRM O=C(NCC1(C(F)(F)F)CCCC1)c1ccc2[n-]c(=S)oc2c1 ZINC000863509090 1137190028 /nfs/dbraw/zinc/19/00/28/1137190028.db2.gz RSVPSWLXKWKSRE-UHFFFAOYSA-N -1 0 344.358 3.969 20 0 EHADRM CCCOc1ccc(NC(=O)c2s[n-]c(=O)c2Cl)cc1C ZINC000863530014 1137190806 /nfs/dbraw/zinc/19/08/06/1137190806.db2.gz SBUGRIPXHPICTI-UHFFFAOYSA-N -1 0 326.805 3.852 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccccc1OC ZINC000864102901 1137215004 /nfs/dbraw/zinc/21/50/04/1137215004.db2.gz DJDZUKHGFIALKX-MRXNPFEDSA-N -1 0 327.380 3.583 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)/C=C\c2cc(C(=O)[O-])co2)c1 ZINC000864103384 1137215029 /nfs/dbraw/zinc/21/50/29/1137215029.db2.gz JIJQKUCKSQQJRI-QWPQOLDESA-N -1 0 325.364 3.663 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN(C(=O)/C=C\c2cc(C(=O)[O-])co2)C1 ZINC000864110237 1137215451 /nfs/dbraw/zinc/21/54/51/1137215451.db2.gz NOOZNTQWFROWRY-ZTBDEIDFSA-N -1 0 339.391 3.571 20 0 EHADRM O=C([O-])c1coc(/C=C/C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000864109450 1137215575 /nfs/dbraw/zinc/21/55/75/1137215575.db2.gz SXQAFVKJGGBITA-BLGFXRMMSA-N -1 0 343.354 3.788 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)/C=C\c1ccc(F)c2ccccc12 ZINC000864116058 1137215772 /nfs/dbraw/zinc/21/57/72/1137215772.db2.gz ABKXAHMZAJGFPP-NTMALXAHSA-N -1 0 329.371 3.704 20 0 EHADRM C[C@H](CCc1ccc(F)cc1)C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000864117446 1137216006 /nfs/dbraw/zinc/21/60/06/1137216006.db2.gz OHGGITDDHQRZHQ-KDOFPFPSSA-N -1 0 343.398 3.679 20 0 EHADRM CC1(C)[C@H](c2ccccc2)CCN1C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000864148754 1137217086 /nfs/dbraw/zinc/21/70/86/1137217086.db2.gz GCIGWNGOCMRROI-JJEJIETFSA-N -1 0 339.391 3.786 20 0 EHADRM CC1(C)C[C@H](NC(=O)/C=C\c2cc(C(=O)[O-])co2)c2ccccc21 ZINC000864143585 1137217102 /nfs/dbraw/zinc/21/71/02/1137217102.db2.gz NJDQXCSIHWULFU-PTZVLDCSSA-N -1 0 325.364 3.530 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)CCc1ccc(F)c2ccccc12 ZINC000864153340 1137217401 /nfs/dbraw/zinc/21/74/01/1137217401.db2.gz CBQILJJWDLDVLV-FXAWDEMLSA-N -1 0 343.398 3.671 20 0 EHADRM CN(C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000864177630 1137217899 /nfs/dbraw/zinc/21/78/99/1137217899.db2.gz PUWSZQFVYISCLG-XDNAFOTISA-N -1 0 329.440 3.672 20 0 EHADRM CCc1ccc(N(CC(C)C)C(=O)CC2(C(=O)[O-])CCOCC2)cc1 ZINC000864178133 1137218043 /nfs/dbraw/zinc/21/80/43/1137218043.db2.gz XBFALJIJJRLXSB-UHFFFAOYSA-N -1 0 347.455 3.510 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)c2cc3c(s2)CCC3)cc1 ZINC000864190498 1137218405 /nfs/dbraw/zinc/21/84/05/1137218405.db2.gz ZXYXSZMOPPFWEQ-UONOGXRCSA-N -1 0 327.405 3.677 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N1C2CCC1(C(=O)[O-])CC2 ZINC000864189528 1137218509 /nfs/dbraw/zinc/21/85/09/1137218509.db2.gz PMYCDKUATVHGOH-UHFFFAOYSA-N -1 0 345.420 3.518 20 0 EHADRM Cc1ccc(C[C@]2(C)CCCN2C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000864195111 1137218523 /nfs/dbraw/zinc/21/85/23/1137218523.db2.gz XYEXFVKLDZJORT-WFXMLNOXSA-N -1 0 343.467 3.810 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)C2CCc3ccccc3CC2)c2ccccc21 ZINC000864228903 1137219273 /nfs/dbraw/zinc/21/92/73/1137219273.db2.gz SBVXSCNZSITITN-GOSISDBHSA-N -1 0 349.430 3.787 20 0 EHADRM Cc1cccc(CCC(=O)N[C@H](CC(=O)[O-])c2cccc(C)c2)c1 ZINC000864227902 1137219453 /nfs/dbraw/zinc/21/94/53/1137219453.db2.gz IEXRYAXZHNQFSB-GOSISDBHSA-N -1 0 325.408 3.568 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)c2ccc(OC(C)C)cc2)c1 ZINC000864230071 1137219502 /nfs/dbraw/zinc/21/95/02/1137219502.db2.gz ZXZMINKRRWDQLF-SFHVURJKSA-N -1 0 341.407 3.728 20 0 EHADRM Cc1nc(CNCc2ccc(CC(F)(F)F)cc2)sc1C(=O)[O-] ZINC000864505089 1137230603 /nfs/dbraw/zinc/23/06/03/1137230603.db2.gz ZTGMKAROFLMFFN-UHFFFAOYSA-N -1 0 344.358 3.544 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NCc2nc(C(C)(C)C)cs2)cc1 ZINC000864506174 1137230612 /nfs/dbraw/zinc/23/06/12/1137230612.db2.gz INHZEUQATGIALZ-AWEZNQCLSA-N -1 0 348.468 3.755 20 0 EHADRM C[C@@H](c1ccccc1)[C@@H](NCc1nc(C(C)(C)C)cs1)C(=O)[O-] ZINC000864516228 1137231307 /nfs/dbraw/zinc/23/13/07/1137231307.db2.gz KFCSENYHVWKIFW-BLLLJJGKSA-N -1 0 332.469 3.787 20 0 EHADRM CCCN(C(=O)Nc1ccc(F)c(C(F)F)c1)[C@@H](CC)C(=O)[O-] ZINC000864584131 1137235557 /nfs/dbraw/zinc/23/55/57/1137235557.db2.gz AKPSVZBHCNHFHV-LBPRGKRZSA-N -1 0 332.322 3.870 20 0 EHADRM O=C([O-])CN(C(=O)Nc1cccc(SC(F)(F)F)c1)C1CCC1 ZINC000864583888 1137235640 /nfs/dbraw/zinc/23/56/40/1137235640.db2.gz BXUFVPSJIPKVJM-UHFFFAOYSA-N -1 0 348.346 3.770 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)Nc1ccc(F)c(C(F)F)c1)C1CCC1 ZINC000864584977 1137235735 /nfs/dbraw/zinc/23/57/35/1137235735.db2.gz MZHKEUZKAAXQCD-QMMMGPOBSA-N -1 0 330.306 3.623 20 0 EHADRM Cc1ccc(-c2ccccc2NC(=O)N(C)C[C@H](C)C(=O)[O-])s1 ZINC000864606504 1137236515 /nfs/dbraw/zinc/23/65/15/1137236515.db2.gz DIHAPQAHBGXFTB-NSHDSACASA-N -1 0 332.425 3.908 20 0 EHADRM Cn1cc(CNc2cccc(CSC3CCCC3)c2)c(C(=O)[O-])n1 ZINC000864783560 1137245707 /nfs/dbraw/zinc/24/57/07/1137245707.db2.gz NKHCMIWZCWFGLH-UHFFFAOYSA-N -1 0 345.468 3.906 20 0 EHADRM CC[C@@H](C)Sc1ccc(NCc2cn(C)nc2C(=O)[O-])c(C)c1 ZINC000864784063 1137246021 /nfs/dbraw/zinc/24/60/21/1137246021.db2.gz SCJQGHRJZBXTHH-GFCCVEGCSA-N -1 0 333.457 3.929 20 0 EHADRM Cc1c(Cl)cc(NC(=O)CC2CCC(O)CC2)c([O-])c1Cl ZINC001144348496 1137276801 /nfs/dbraw/zinc/27/68/01/1137276801.db2.gz RYRXFIGKENZEJJ-UHFFFAOYSA-N -1 0 332.227 3.887 20 0 EHADRM Cc1ccccc1[C@H](O)C(=O)Nc1cc(Cl)c(C)c(Cl)c1[O-] ZINC001144537649 1137306550 /nfs/dbraw/zinc/30/65/50/1137306550.db2.gz AHLCYWZWORFHGM-AWEZNQCLSA-N -1 0 340.206 3.988 20 0 EHADRM CC(C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)oc1ccccc12 ZINC000845826184 1137313168 /nfs/dbraw/zinc/31/31/68/1137313168.db2.gz QGIGTIZMCIFTSO-GFCCVEGCSA-N -1 0 345.420 3.683 20 0 EHADRM CCOC(=O)CN(Cc1sccc1C(=O)[O-])[C@H](C)c1ccccc1 ZINC001144680153 1137328500 /nfs/dbraw/zinc/32/85/00/1137328500.db2.gz KJEMIVFSHQGDSR-CYBMUJFWSA-N -1 0 347.436 3.573 20 0 EHADRM C[C@]1(CCNC(=O)c2ccc3[n-]c(=S)oc3c2)C[C@@]1(F)Cl ZINC000846406722 1137350688 /nfs/dbraw/zinc/35/06/88/1137350688.db2.gz OMENEPRGIRNVNY-KBPBESRZSA-N -1 0 328.796 3.551 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc3[n-]c(=S)oc3c2)CCc2ccccc21 ZINC000846514838 1137354203 /nfs/dbraw/zinc/35/42/03/1137354203.db2.gz ZMUMAHRFPIAIAL-LBPRGKRZSA-N -1 0 338.432 3.919 20 0 EHADRM C[C@H](NCc1cscc1Br)c1nc(C(=O)[O-])cs1 ZINC000846779786 1137365346 /nfs/dbraw/zinc/36/53/46/1137365346.db2.gz OOBOHJXKDHOWOJ-LURJTMIESA-N -1 0 347.259 3.516 20 0 EHADRM Cc1nc2cccc(Cl)c2cc1C(=O)NCCCCCC(=O)[O-] ZINC000868436268 1137409840 /nfs/dbraw/zinc/40/98/40/1137409840.db2.gz MMAIHKWTEXTMJZ-UHFFFAOYSA-N -1 0 334.803 3.571 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C2([C@H]3CCCCO3)CCC2)c1 ZINC000868488042 1137411553 /nfs/dbraw/zinc/41/15/53/1137411553.db2.gz UOIFCBBQFNUBMC-QGZVFWFLSA-N -1 0 331.412 3.663 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccc2ccccc2c1)C1=CCCCCC1 ZINC000122246230 1137419179 /nfs/dbraw/zinc/41/91/79/1137419179.db2.gz HLJOPGWPVRZUJT-UHFFFAOYSA-N -1 0 329.421 3.535 20 0 EHADRM Cc1nc(Cl)ncc1NC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001148805859 1137435382 /nfs/dbraw/zinc/43/53/82/1137435382.db2.gz XOBPVEIXRLUBLG-UHFFFAOYSA-N -1 0 332.574 3.703 20 0 EHADRM O=C(NCc1n[nH]c2ccccc21)c1cc(Cl)cc(Cl)c1[O-] ZINC001148811797 1137435486 /nfs/dbraw/zinc/43/54/86/1137435486.db2.gz KYRVDQDZPMJWLX-UHFFFAOYSA-N -1 0 336.178 3.505 20 0 EHADRM CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001148815545 1137435739 /nfs/dbraw/zinc/43/57/39/1137435739.db2.gz OWHKXRZSWTTXLW-UHFFFAOYSA-N -1 0 348.226 3.503 20 0 EHADRM Cn1cnc2ccc(NC(=O)c3cc(Cl)cc(Cl)c3[O-])cc21 ZINC001148815007 1137435755 /nfs/dbraw/zinc/43/57/55/1137435755.db2.gz FGKMUOUALDKIQH-UHFFFAOYSA-N -1 0 336.178 3.838 20 0 EHADRM Cc1cc([C@H](C)NC(=O)N=c2[n-]nc(-c3ccccc3)s2)c(C)o1 ZINC000339104656 1137499288 /nfs/dbraw/zinc/49/92/88/1137499288.db2.gz DXEIMMNQZZSHFX-NSHDSACASA-N -1 0 342.424 3.720 20 0 EHADRM O=C(COc1cccc2ccccc21)[N-]OCCCC(F)(F)F ZINC000871209729 1137527162 /nfs/dbraw/zinc/52/71/62/1137527162.db2.gz CJXQVBVTCIYZAI-UHFFFAOYSA-N -1 0 327.302 3.609 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCC[C@@H](OC2CCC2)CC1 ZINC000871327804 1137536744 /nfs/dbraw/zinc/53/67/44/1137536744.db2.gz BGBIXUXDKDQEDN-CYBMUJFWSA-N -1 0 341.810 3.749 20 0 EHADRM Cc1sc(CN[C@@H](C(=O)[O-])c2ccsc2)cc1Br ZINC000871878466 1137562018 /nfs/dbraw/zinc/56/20/18/1137562018.db2.gz LYJLDNCPFYYISU-LLVKDONJSA-N -1 0 346.271 3.796 20 0 EHADRM Cc1ccc(-c2nn(C)cc2CNc2ccc(C)c(C(=O)[O-])c2C)o1 ZINC000871884613 1137562422 /nfs/dbraw/zinc/56/24/22/1137562422.db2.gz CRSCACMZSXXELH-UHFFFAOYSA-N -1 0 339.395 3.916 20 0 EHADRM CSc1nc(Cl)cc(-n2[n-]c(CCc3ccccc3)cc2=O)n1 ZINC000871957127 1137563687 /nfs/dbraw/zinc/56/36/87/1137563687.db2.gz OCRAENOFGDZQIZ-UHFFFAOYSA-N -1 0 346.843 3.577 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(C(F)F)o2)noc1C(C)(C)C ZINC000872008828 1137564315 /nfs/dbraw/zinc/56/43/15/1137564315.db2.gz QAHGDZAAUACKBG-UHFFFAOYSA-N -1 0 334.344 3.612 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cccc(C)c2F)noc1C(C)(C)C ZINC000872007212 1137564444 /nfs/dbraw/zinc/56/44/44/1137564444.db2.gz KWZIZQBLSOVMCP-UHFFFAOYSA-N -1 0 326.393 3.529 20 0 EHADRM CCC(F)(F)c1ccccc1[N-]S(=O)(=O)c1c(C)noc1C ZINC000872410826 1137579596 /nfs/dbraw/zinc/57/95/96/1137579596.db2.gz SHMVDVOEARUMIJ-UHFFFAOYSA-N -1 0 330.356 3.594 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3oc(=O)ccc3c2)c1 ZINC000124104865 1137580451 /nfs/dbraw/zinc/58/04/51/1137580451.db2.gz XDDNRGUTVGZEDW-UHFFFAOYSA-N -1 0 349.795 3.556 20 0 EHADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)Nc2cccc(-c3cccs3)c2)O1 ZINC000872721444 1137583170 /nfs/dbraw/zinc/58/31/70/1137583170.db2.gz HASMLOJGBDRBNN-LSDHHAIUSA-N -1 0 345.420 3.766 20 0 EHADRM O=C([O-])[C@@H]1CO[C@H](CCC(=O)Nc2cccc(-c3cccs3)c2)C1 ZINC000872723046 1137583274 /nfs/dbraw/zinc/58/32/74/1137583274.db2.gz VMBMJERICHWCSA-DZGCQCFKSA-N -1 0 345.420 3.624 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N2CC[C@]3(C(=O)[O-])CCC[C@H]23)c1 ZINC000872770294 1137584207 /nfs/dbraw/zinc/58/42/07/1137584207.db2.gz VPAPWEGOQOAFDA-XJKSGUPXSA-N -1 0 339.844 3.531 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(COc2ccccc2)c1 ZINC000872837310 1137585250 /nfs/dbraw/zinc/58/52/50/1137585250.db2.gz CZMOPTPZEVCSDD-ZWKOTPCHSA-N -1 0 339.391 3.705 20 0 EHADRM CC(C)[C@@H](NC(=O)C(C)(C)SCC(=O)[O-])c1ccc(Cl)cc1 ZINC000872832995 1137585253 /nfs/dbraw/zinc/58/52/53/1137585253.db2.gz MWCQZPDLZCYLOD-CQSZACIVSA-N -1 0 343.876 3.750 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)Nc1cccc(-c2cccs2)c1 ZINC000872842133 1137585364 /nfs/dbraw/zinc/58/53/64/1137585364.db2.gz NXSPTSDSCMYLTE-UHFFFAOYSA-N -1 0 335.450 3.950 20 0 EHADRM CCSc1ccc([C@@H](C)NC(=O)C(C)(C)SCC(=O)[O-])cc1 ZINC000872843900 1137585483 /nfs/dbraw/zinc/58/54/83/1137585483.db2.gz OVJGRDRCQCPLGY-LLVKDONJSA-N -1 0 341.498 3.572 20 0 EHADRM C[C@@H](NC(=O)C(C)(C)SCC(=O)[O-])c1csc2ccccc21 ZINC000872844932 1137585510 /nfs/dbraw/zinc/58/55/10/1137585510.db2.gz ZUVLAIJBSHCOMJ-SNVBAGLBSA-N -1 0 337.466 3.675 20 0 EHADRM CC[C@](C)(CC(=O)[O-])C(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000872867519 1137585760 /nfs/dbraw/zinc/58/57/60/1137585760.db2.gz SHOLDARQPGDWRI-GOSISDBHSA-N -1 0 328.368 3.703 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H]1C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC000872884737 1137586029 /nfs/dbraw/zinc/58/60/29/1137586029.db2.gz YNRRQJWKZKKSTN-QWRGUYRKSA-N -1 0 333.331 3.738 20 0 EHADRM CC[C@@H](c1ccccc1OC)N(C)C(=O)C1=C(C(=O)[O-])CCCC1 ZINC000872991394 1137587489 /nfs/dbraw/zinc/58/74/89/1137587489.db2.gz DQOIFEKATNSVLK-INIZCTEOSA-N -1 0 331.412 3.560 20 0 EHADRM O=C([O-])[C@H](CC(=O)N[C@@H]1CCc2ccc(Cl)cc21)c1ccccc1 ZINC000872993705 1137587643 /nfs/dbraw/zinc/58/76/43/1137587643.db2.gz FBQVDIBFCPYRGW-IAGOWNOFSA-N -1 0 343.810 3.702 20 0 EHADRM CC(C)C[C@](C)(CC(=O)[O-])C(=O)NC[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000872998149 1137587750 /nfs/dbraw/zinc/58/77/50/1137587750.db2.gz PACJYUSDNZCKNI-WOSRLPQWSA-N -1 0 349.393 3.774 20 0 EHADRM CCc1ccc(Br)c(NC(=O)CC2(C(=O)[O-])CCC2)c1 ZINC000873003724 1137587795 /nfs/dbraw/zinc/58/77/95/1137587795.db2.gz DQYIDIJNHPKPGF-UHFFFAOYSA-N -1 0 340.217 3.595 20 0 EHADRM CCCN(Cc1ccccc1)C(=O)NCc1ccccc1C(=O)[O-] ZINC000874409800 1137613728 /nfs/dbraw/zinc/61/37/28/1137613728.db2.gz ZGZULAOWLHEFRO-UHFFFAOYSA-N -1 0 326.396 3.507 20 0 EHADRM O=Cc1cc(-c2csc(C(F)(F)F)c2)ccc1OCC(=O)[O-] ZINC000874969864 1137627190 /nfs/dbraw/zinc/62/71/90/1137627190.db2.gz GNICOQPFLDTLRJ-UHFFFAOYSA-N -1 0 330.283 3.710 20 0 EHADRM O=Cc1ccc(OC(F)(F)F)c(-c2ccc(C(=O)[O-])cc2F)c1 ZINC000874970051 1137627220 /nfs/dbraw/zinc/62/72/20/1137627220.db2.gz KQYHJIZMKVEIPK-UHFFFAOYSA-N -1 0 328.217 3.902 20 0 EHADRM O=C(NO[C@@H]1CCCCO1)Nc1cccc(OCc2ccccc2)c1 ZINC000880368530 1137776676 /nfs/dbraw/zinc/77/66/76/1137776676.db2.gz AHDKIJUWDKDBNA-GOSISDBHSA-N -1 0 342.395 3.845 20 0 EHADRM Cc1cccc(-c2nc(CC(=O)[N-]OCc3ccccc3)cs2)c1 ZINC000025038508 1137820776 /nfs/dbraw/zinc/82/07/76/1137820776.db2.gz ZTDCKOUGEPKYNZ-UHFFFAOYSA-N -1 0 338.432 3.909 20 0 EHADRM O=S(=O)([N-]c1ncsc1C1CC1)c1c(F)cccc1Cl ZINC000882772163 1137833947 /nfs/dbraw/zinc/83/39/47/1137833947.db2.gz JVHQPXUPLYCXCM-UHFFFAOYSA-N -1 0 332.809 3.614 20 0 EHADRM COc1ccc(OC)c(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC000130110074 1137834094 /nfs/dbraw/zinc/83/40/94/1137834094.db2.gz LTDGSSJVYHMMTJ-UHFFFAOYSA-N -1 0 342.178 3.969 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)N(C)Cc2cccs2)cc1 ZINC000108065596 1137888537 /nfs/dbraw/zinc/88/85/37/1137888537.db2.gz VNBQUVNUDNTXKO-QFIPXVFZSA-N -1 0 335.494 3.638 20 0 EHADRM C[C@H](c1ccc(OC(F)(F)F)cc1)[S@@](=O)C=C([O-])c1ccc[nH]1 ZINC000108116727 1137888804 /nfs/dbraw/zinc/88/88/04/1137888804.db2.gz WFJPKPKRDFIQMQ-DJNLSKAYSA-N -1 0 345.342 3.606 20 0 EHADRM CC[C@H]1CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])C[C@@H]1O ZINC000331493905 1137910438 /nfs/dbraw/zinc/91/04/38/1137910438.db2.gz BDSLGGPESWLDLO-SJCJKPOMSA-N -1 0 345.826 3.556 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)N2CCC[C@@H]2c2cccc(F)c2)s[n-]1 ZINC000331567877 1137912923 /nfs/dbraw/zinc/91/29/23/1137912923.db2.gz QLIJBCVRDXXSII-CYBMUJFWSA-N -1 0 348.447 3.766 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2C(=O)N=c2nc(C(C)(C)C)[n-]s2)o1 ZINC000331693572 1137917411 /nfs/dbraw/zinc/91/74/11/1137917411.db2.gz ZJNOHPITZJWGTF-LBPRGKRZSA-N -1 0 348.472 3.918 20 0 EHADRM CC1(C)CCCc2sc([N-]S(=O)(=O)c3cccs3)nc21 ZINC000331787933 1137920737 /nfs/dbraw/zinc/92/07/37/1137920737.db2.gz RMUZXFOANDUKPR-UHFFFAOYSA-N -1 0 328.484 3.619 20 0 EHADRM C[C@@H](Cc1cccs1)N(C)C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC001137212389 1137964638 /nfs/dbraw/zinc/96/46/38/1137964638.db2.gz QYTCRZCHZLUZBY-JTQLQIEISA-N -1 0 332.450 3.881 20 0 EHADRM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2ccc(F)nc2)c1Cl ZINC000221723085 1138212585 /nfs/dbraw/zinc/21/25/85/1138212585.db2.gz WKEZDCARTBQWGR-UHFFFAOYSA-N -1 0 349.214 3.945 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N2CC3CC2(c2ccccc2)C3)c1 ZINC000826534991 1138215007 /nfs/dbraw/zinc/21/50/07/1138215007.db2.gz OJTGWTXUFBLUNZ-UHFFFAOYSA-N -1 0 341.794 3.800 20 0 EHADRM C[C@H](O)C[C@H]1CCCN1C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000093241705 1138235154 /nfs/dbraw/zinc/23/51/54/1138235154.db2.gz XPZZNTDJKADHGT-NWDGAFQWSA-N -1 0 333.815 3.574 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)NCC1(C)CC(F)(F)C1)C1CCCCC1 ZINC000887312703 1138261454 /nfs/dbraw/zinc/26/14/54/1138261454.db2.gz YCAPKZMPXUYEHK-MRXNPFEDSA-N -1 0 331.403 3.599 20 0 EHADRM O=C([O-])c1c(F)cc(Nc2ccc(-n3ccccc3=O)cc2)cc1F ZINC001203329627 1138275414 /nfs/dbraw/zinc/27/54/14/1138275414.db2.gz GJNJVPFMFDNOIK-UHFFFAOYSA-N -1 0 342.301 3.558 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccc(F)c(C2CC2)c1 ZINC000337154212 1138481020 /nfs/dbraw/zinc/48/10/20/1138481020.db2.gz MSZJQLLKEHJHTB-UHFFFAOYSA-N -1 0 349.383 3.511 20 0 EHADRM O=C([O-])CN(C(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl)c1ccccc1 ZINC000337751446 1138659169 /nfs/dbraw/zinc/65/91/69/1138659169.db2.gz QFTGRGLXYCGVLI-CHWSQXEVSA-N -1 0 347.773 3.700 20 0 EHADRM CO[C@H](C)CS(=O)(=O)[N-]c1cc(Cl)ccc1-c1ccc(C)o1 ZINC000337851662 1138682155 /nfs/dbraw/zinc/68/21/55/1138682155.db2.gz JLRXFPXIDGNHPY-LLVKDONJSA-N -1 0 343.832 3.685 20 0 EHADRM CO[C@H](C)c1nc(=N[C@H](C)c2ccc(-c3cccnc3)cc2)s[n-]1 ZINC000337873894 1138687798 /nfs/dbraw/zinc/68/77/98/1138687798.db2.gz PINYCOQPGUPXFG-CHWSQXEVSA-N -1 0 340.452 3.903 20 0 EHADRM O=C(Nc1ccc2[nH]c(C3CCC3)nc2c1)c1s[n-]c(=O)c1Cl ZINC000283036890 1138954608 /nfs/dbraw/zinc/95/46/08/1138954608.db2.gz LATULDVIKVLUMX-UHFFFAOYSA-N -1 0 348.815 3.898 20 0 EHADRM CC(C)CCOC1CCN(C(=O)c2ccc3[n-]c(=S)oc3c2)CC1 ZINC000174005714 1139393177 /nfs/dbraw/zinc/39/31/77/1139393177.db2.gz BMZXDQWNIJLIKV-UHFFFAOYSA-N -1 0 348.468 3.784 20 0 EHADRM CC[C@@](C)(NC(=O)c1cc(F)c(F)c([O-])c1F)c1nc(C)cs1 ZINC000180065710 1139806305 /nfs/dbraw/zinc/80/63/05/1139806305.db2.gz NCNLPHHIHCVOHD-OAHLLOKOSA-N -1 0 344.358 3.630 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CCC[C@H]2c2ccccc2Cl)C1 ZINC000180112243 1139809464 /nfs/dbraw/zinc/80/94/64/1139809464.db2.gz XRAXPBBDGFSUNR-WWGRRREGSA-N -1 0 335.831 3.895 20 0 EHADRM CC(C)c1cc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)nn1C ZINC000181427434 1139905927 /nfs/dbraw/zinc/90/59/27/1139905927.db2.gz PYVBVRZUSYPMSC-UHFFFAOYSA-N -1 0 328.199 3.808 20 0 EHADRM CC(C)(C)c1ccc(/C=C\C(=O)N2CCC(C)(C(=O)[O-])CC2)cc1 ZINC000777380393 1139965191 /nfs/dbraw/zinc/96/51/91/1139965191.db2.gz GKFGOMKIGHSOAH-YFHOEESVSA-N -1 0 329.440 3.711 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2sccc2SC(F)F)C1 ZINC000777393540 1140027453 /nfs/dbraw/zinc/02/74/53/1140027453.db2.gz MRWBUQCRRUSAKY-SECBINFHSA-N -1 0 349.424 3.780 20 0 EHADRM Cc1nc(C)c([C@H](C)N(C)C(=O)c2cc(F)c([O-])c(F)c2)s1 ZINC000183582643 1140047405 /nfs/dbraw/zinc/04/74/05/1140047405.db2.gz KBMVXHFIDXVHAZ-QMMMGPOBSA-N -1 0 326.368 3.577 20 0 EHADRM Cc1csc(C2(NC(=O)c3cc(F)c([O-])c(F)c3)CCCC2)n1 ZINC000183611038 1140049726 /nfs/dbraw/zinc/04/97/26/1140049726.db2.gz GZKNCBFXELPKPL-UHFFFAOYSA-N -1 0 338.379 3.635 20 0 EHADRM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(C(=O)[O-])co1 ZINC000183776495 1140058579 /nfs/dbraw/zinc/05/85/79/1140058579.db2.gz APUXTDYDNZBSPV-CVEARBPZSA-N -1 0 327.380 3.776 20 0 EHADRM COCC1=CCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CC1 ZINC000185387608 1140147918 /nfs/dbraw/zinc/14/79/18/1140147918.db2.gz HNPJWBXRONLNRF-UHFFFAOYSA-N -1 0 331.799 3.618 20 0 EHADRM CCC(CC)[C@H]1C[C@@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)CCO1 ZINC000192456308 1140533194 /nfs/dbraw/zinc/53/31/94/1140533194.db2.gz WEAFOPHBIBLVRM-SWLSCSKDSA-N -1 0 343.826 3.898 20 0 EHADRM Cc1cc(=O)[nH]c([C@H](C)N[C@@H](C)c2ccc(OCC3CC3)c(F)c2)n1 ZINC000192763021 1140549070 /nfs/dbraw/zinc/54/90/70/1140549070.db2.gz GJKWBVAMDZZNHE-STQMWFEESA-N -1 0 345.418 3.830 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cccc(F)c2C)cnn1C1CCCC1 ZINC000194228900 1140602324 /nfs/dbraw/zinc/60/23/24/1140602324.db2.gz CTVIEIJMBJYLJC-UHFFFAOYSA-N -1 0 337.420 3.555 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)C3CCC(C(=O)[O-])CC3)c2)cs1 ZINC000194436550 1140609486 /nfs/dbraw/zinc/60/94/86/1140609486.db2.gz NXAJEZNERJWKSF-UHFFFAOYSA-N -1 0 344.436 3.948 20 0 EHADRM O=S(=O)(Cc1ccc(F)c(Cl)c1)[N-]c1nc(C2CC2)cs1 ZINC000194554918 1140614466 /nfs/dbraw/zinc/61/44/66/1140614466.db2.gz UWTNIZQGXWJIQO-UHFFFAOYSA-N -1 0 346.836 3.755 20 0 EHADRM CC(C)c1cc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)no1 ZINC000267016985 1140750742 /nfs/dbraw/zinc/75/07/42/1140750742.db2.gz BBUDPHRBMLSMAG-UHFFFAOYSA-N -1 0 335.212 3.906 20 0 EHADRM CC(C)C[C@H]1CCCN(C(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)C1 ZINC000268273031 1140912968 /nfs/dbraw/zinc/91/29/68/1140912968.db2.gz CQJUIOWTRRUVJI-GFCCVEGCSA-N -1 0 345.468 3.522 20 0 EHADRM COc1ccc(/C=C\c2nc(C(=O)[O-])c(C)s2)cc1OC(F)F ZINC000339114843 1141500878 /nfs/dbraw/zinc/50/08/78/1141500878.db2.gz RGAPFCYCFWYEPB-XQRVVYSFSA-N -1 0 341.335 3.930 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1s[n-]c(=O)c1Cl ZINC000283090711 1141551238 /nfs/dbraw/zinc/55/12/38/1141551238.db2.gz RCNXXNDNJMVWJV-JTQLQIEISA-N -1 0 338.860 3.988 20 0 EHADRM O=S(=O)([N-]c1ccccc1-n1cccc1)c1ccccc1Cl ZINC000107336363 1141598120 /nfs/dbraw/zinc/59/81/20/1141598120.db2.gz KWTKRKKPFRRNJF-UHFFFAOYSA-N -1 0 332.812 3.932 20 0 EHADRM CC(=O)c1cc(NC(=O)CC2(C(=O)[O-])CCCCCC2)ccc1F ZINC000348996812 1141619842 /nfs/dbraw/zinc/61/98/42/1141619842.db2.gz QNDRSZZYPPEPNN-UHFFFAOYSA-N -1 0 335.375 3.782 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)c(Cl)c1 ZINC000055588055 214332306 /nfs/dbraw/zinc/33/23/06/214332306.db2.gz JRFOCBVYHFTGEZ-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM O=C([O-])c1cccc(NC(=O)CCc2nc3ccccc3s2)c1 ZINC000049478157 214011078 /nfs/dbraw/zinc/01/10/78/214011078.db2.gz OWJUWPPZQLSRJJ-UHFFFAOYSA-N -1 0 326.377 3.566 20 0 EHADRM O=C(Nc1ccc2oc(C3CC3)nc2c1)c1c([O-])cc(F)cc1F ZINC000066044989 215004087 /nfs/dbraw/zinc/00/40/87/215004087.db2.gz PTFUECYCUXBUBG-UHFFFAOYSA-N -1 0 330.290 3.941 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2cccc(Br)c2)CCCC1 ZINC000001498904 209754558 /nfs/dbraw/zinc/75/45/58/209754558.db2.gz MTZCUIDIVFPOII-UHFFFAOYSA-N -1 0 340.217 3.813 20 0 EHADRM C[C@H](SCC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C(=O)[O-] ZINC000037405580 213144339 /nfs/dbraw/zinc/14/43/39/213144339.db2.gz BZGDXRNBKCVIED-YFKPBYRVSA-N -1 0 342.631 3.792 20 0 EHADRM O=C([O-])c1c(NC(=O)Cc2c[nH]c3ccccc23)sc2c1CCC2 ZINC000020334646 212120860 /nfs/dbraw/zinc/12/08/60/212120860.db2.gz ZHBSYSIKMBNFQN-UHFFFAOYSA-N -1 0 340.404 3.598 20 0 EHADRM Cc1ccc2c(Cl)c(C(=O)N(C)C[C@H](C)C(=O)[O-])sc2c1 ZINC000643430059 599807992 /nfs/dbraw/zinc/80/79/92/599807992.db2.gz HSEXLAZBHQDNKB-VIFPVBQESA-N -1 0 325.817 3.656 20 0 EHADRM O=C([O-])C1(NC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)CCCC1 ZINC000237964928 597037563 /nfs/dbraw/zinc/03/75/63/597037563.db2.gz JLLVOPYFXDPUMK-UHFFFAOYSA-N -1 0 341.194 3.602 20 0 EHADRM COc1ccc(-c2nc(CS[C@@H](C)C(=O)[O-])cs2)cc1OC ZINC000739877828 597071316 /nfs/dbraw/zinc/07/13/16/597071316.db2.gz BUGHBPRHPZWXHZ-VIFPVBQESA-N -1 0 339.438 3.534 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 ZINC000676214015 597093078 /nfs/dbraw/zinc/09/30/78/597093078.db2.gz DEVSEHAZBXGDFJ-LBPRGKRZSA-N -1 0 347.798 3.927 20 0 EHADRM CC(C)Sc1c(Cl)cccc1NC(=O)CSCC(=O)[O-] ZINC000738870162 597109734 /nfs/dbraw/zinc/10/97/34/597109734.db2.gz RLKFNHXTINRTMP-UHFFFAOYSA-N -1 0 333.862 3.597 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)Nc2cc(Cl)cc3cccnc32)C1 ZINC000521986304 597116438 /nfs/dbraw/zinc/11/64/38/597116438.db2.gz ZIALEXZDGJTJLY-NSHDSACASA-N -1 0 347.802 3.607 20 0 EHADRM COc1cc(CNc2cccc(CC(=O)[O-])c2)ccc1OC(F)F ZINC000738080624 597129524 /nfs/dbraw/zinc/12/95/24/597129524.db2.gz BQWQHGASCXEKCP-UHFFFAOYSA-N -1 0 337.322 3.536 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1ccc(Oc2ccccn2)cc1 ZINC000263049822 597139183 /nfs/dbraw/zinc/13/91/83/597139183.db2.gz NCOGNRQJIXXXSY-UHFFFAOYSA-N -1 0 343.383 3.639 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000391947946 597314641 /nfs/dbraw/zinc/31/46/41/597314641.db2.gz ATVIFJGGQSNEOO-ZDUSSCGKSA-N -1 0 347.436 3.628 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818140867 597327629 /nfs/dbraw/zinc/32/76/29/597327629.db2.gz QXYKISBTQBDADG-KRWDZBQOSA-N -1 0 340.423 3.799 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC000819610336 597336725 /nfs/dbraw/zinc/33/67/25/597336725.db2.gz POMFMILESJZRRD-QGZVFWFLSA-N -1 0 342.370 3.822 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N1CCC[C@@H]1c1cccs1 ZINC000819610321 597339375 /nfs/dbraw/zinc/33/93/75/597339375.db2.gz PCKDHYUVPMGTRD-CQSZACIVSA-N -1 0 330.409 3.744 20 0 EHADRM CCOc1cccc([C@H](C)NC(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000818244843 597339917 /nfs/dbraw/zinc/33/99/17/597339917.db2.gz ZLPNCVCCCGORNP-ZDUSSCGKSA-N -1 0 342.395 3.595 20 0 EHADRM CC[C@@H](C)n1ncc(C(=O)Nc2ccc(C(=O)[O-])cc2F)c1C1CC1 ZINC000820272441 598050438 /nfs/dbraw/zinc/05/04/38/598050438.db2.gz CHKKTZZMTXBBPU-SNVBAGLBSA-N -1 0 345.374 3.821 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2cccc(OCc3cccnc3)c2)c1 ZINC000821550999 598138286 /nfs/dbraw/zinc/13/82/86/598138286.db2.gz WPENIAMCXJAKPQ-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM Cc1cc(C(=O)NCCCCC(=O)[O-])c(C)n1[C@H](C)c1ccccc1 ZINC000237766471 598168242 /nfs/dbraw/zinc/16/82/42/598168242.db2.gz LNHGTWKDOPXWPS-OAHLLOKOSA-N -1 0 342.439 3.699 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Nc2c(F)cc(Cl)cc2F)c1 ZINC000821537541 598180021 /nfs/dbraw/zinc/18/00/21/598180021.db2.gz IPTSECDZTNMXRA-UHFFFAOYSA-N -1 0 340.713 3.889 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)[C@H]1CCc2c1cccc2Cl ZINC000821539032 598183670 /nfs/dbraw/zinc/18/36/70/598183670.db2.gz DEEVFIWXTSONAW-AWEZNQCLSA-N -1 0 329.783 3.636 20 0 EHADRM CSc1ccc(C)c(NC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000780721974 598189669 /nfs/dbraw/zinc/18/96/69/598189669.db2.gz WLKBAKIXOVQKGP-MRXNPFEDSA-N -1 0 344.436 3.534 20 0 EHADRM CN(Cc1ccc(F)cc1Cl)C(=O)NCCCCCCC(=O)[O-] ZINC000737476984 599702430 /nfs/dbraw/zinc/70/24/30/599702430.db2.gz PBQKKGYCSVPYCJ-UHFFFAOYSA-N -1 0 344.814 3.656 20 0 EHADRM O=C([O-])NCCC(=O)N(c1nc2ccccc2s1)c1ccccc1 ZINC000739939820 599711665 /nfs/dbraw/zinc/71/16/65/599711665.db2.gz NLMNVULOKRAXBW-UHFFFAOYSA-N -1 0 341.392 3.619 20 0 EHADRM C[C@@H](Cc1ccccc1F)NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736630516 599717620 /nfs/dbraw/zinc/71/76/20/599717620.db2.gz XXMKFVNRWVULPC-JTQLQIEISA-N -1 0 349.337 3.807 20 0 EHADRM O=C([O-])CC1CCN(C(=O)Nc2cccc(SC(F)F)c2)CC1 ZINC000738564173 599719566 /nfs/dbraw/zinc/71/95/66/599719566.db2.gz ZIEZTQDAWAZTGB-UHFFFAOYSA-N -1 0 344.383 3.720 20 0 EHADRM CC(C)Sc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2O)cc1 ZINC000736500047 599721273 /nfs/dbraw/zinc/72/12/73/599721273.db2.gz SJPFBDWBACTTFS-UHFFFAOYSA-N -1 0 331.393 3.843 20 0 EHADRM O=C([O-])NCCCC(=O)N[C@@H](CC1CCCCC1)c1ccccc1 ZINC000739965523 599731238 /nfs/dbraw/zinc/73/12/38/599731238.db2.gz WLZKIFANWVLFHR-KRWDZBQOSA-N -1 0 332.444 3.862 20 0 EHADRM O=C([O-])NCCCC(=O)N(Cc1ccccc1Cl)C1CCCC1 ZINC000739953227 599732788 /nfs/dbraw/zinc/73/27/88/599732788.db2.gz IQZSIGVDGPZHSW-UHFFFAOYSA-N -1 0 338.835 3.659 20 0 EHADRM CC(C)C[C@@H](C)CC(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC000736404135 599733072 /nfs/dbraw/zinc/73/30/72/599733072.db2.gz RLFCADHZNKVLPW-SNVBAGLBSA-N -1 0 335.429 3.847 20 0 EHADRM COc1ccc([C@H](C)C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000139467413 599733221 /nfs/dbraw/zinc/73/32/21/599733221.db2.gz FBXYBHAYRYOYBP-KSSFIOAISA-N -1 0 341.407 3.521 20 0 EHADRM CN(CCCC(=O)Nc1ccc2c(c1)oc1ccccc12)C(=O)[O-] ZINC000737431369 599733592 /nfs/dbraw/zinc/73/35/92/599733592.db2.gz STYDJANCIVOOQL-UHFFFAOYSA-N -1 0 326.352 3.915 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000737234601 599744706 /nfs/dbraw/zinc/74/47/06/599744706.db2.gz NEXKBVNDSYICAP-NCUFRGKYSA-N -1 0 343.345 3.724 20 0 EHADRM CC[C@@H](CC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1)C(C)C ZINC000736893319 599747044 /nfs/dbraw/zinc/74/70/44/599747044.db2.gz XDHUAKFYLGDPRH-AWEZNQCLSA-N -1 0 325.836 3.826 20 0 EHADRM O=C([O-])NCCCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000739954867 599748549 /nfs/dbraw/zinc/74/85/49/599748549.db2.gz VSUUOAAMEMKITP-ZDUSSCGKSA-N -1 0 345.226 3.705 20 0 EHADRM CC[C@@H](CC(=O)N[C@H](C(=O)[O-])c1ccc(OC)cc1)c1ccccc1 ZINC000263147394 599764280 /nfs/dbraw/zinc/76/42/80/599764280.db2.gz LBSTUQDATKFLMU-LIRRHRJNSA-N -1 0 341.407 3.521 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1 ZINC000238053613 599769750 /nfs/dbraw/zinc/76/97/50/599769750.db2.gz RNSFLLBVMLFKCV-UHFFFAOYSA-N -1 0 326.327 3.577 20 0 EHADRM CC(C)c1cccc(OCC(=O)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC000236797591 599769808 /nfs/dbraw/zinc/76/98/08/599769808.db2.gz AYNYHFNKBBDLEY-UHFFFAOYSA-N -1 0 341.407 3.845 20 0 EHADRM CCCc1c(C(=O)N(C)c2cccc(SC)c2)[nH]c(C)c1C(=O)[O-] ZINC000737041880 599770545 /nfs/dbraw/zinc/77/05/45/599770545.db2.gz QZJKBDCEJJLZHZ-UHFFFAOYSA-N -1 0 346.452 3.972 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2cc(-c3ccccc3)no2)cc1 ZINC000238052829 599770815 /nfs/dbraw/zinc/77/08/15/599770815.db2.gz AYNCSOARUQTMJT-UHFFFAOYSA-N -1 0 336.347 3.611 20 0 EHADRM Cc1[nH]c(C(=O)N2CC3(CCC3)c3c2cccc3F)c(C)c1C(=O)[O-] ZINC000738158885 599771683 /nfs/dbraw/zinc/77/16/83/599771683.db2.gz IMSQSEMFZSUSJF-UHFFFAOYSA-N -1 0 342.370 3.551 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000237095381 599772182 /nfs/dbraw/zinc/77/21/82/599772182.db2.gz PWNVCBXFMBCCBE-BUHFOSPRSA-N -1 0 339.391 3.754 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)OC(=O)C[C@@H](C)CC(C)C)c(C)c1C(=O)[O-] ZINC000738234451 599785119 /nfs/dbraw/zinc/78/51/19/599785119.db2.gz DOBOELBSLOBVMF-GWCFXTLKSA-N -1 0 337.416 3.516 20 0 EHADRM CC(C)Cc1ccc(C(=O)COC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000736453249 599785502 /nfs/dbraw/zinc/78/55/02/599785502.db2.gz KNYGTFIJOORXCT-UHFFFAOYSA-N -1 0 340.375 3.623 20 0 EHADRM O=C([O-])c1cccc(COC(=O)c2c[nH]nc2C2CCCCC2)c1 ZINC000740221298 599785631 /nfs/dbraw/zinc/78/56/31/599785631.db2.gz OKFHFTILZQUYPO-UHFFFAOYSA-N -1 0 328.368 3.513 20 0 EHADRM CC(=O)Nc1cccc(CSCCOc2cccc(C(=O)[O-])c2)c1 ZINC000736167105 599787349 /nfs/dbraw/zinc/78/73/49/599787349.db2.gz FOIVSIHPGBSINX-UHFFFAOYSA-N -1 0 345.420 3.655 20 0 EHADRM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000736426624 599788491 /nfs/dbraw/zinc/78/84/91/599788491.db2.gz LREJYEXGEKEQHW-YOEHRIQHSA-N -1 0 348.443 3.876 20 0 EHADRM Cc1cc(C(=O)OCc2cc(C(=O)[O-])co2)cc(C)c1OC(F)F ZINC000738351902 599790053 /nfs/dbraw/zinc/79/00/53/599790053.db2.gz PBAFDYQMZKJELW-UHFFFAOYSA-N -1 0 340.278 3.553 20 0 EHADRM CC/C=C(/C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000736948194 599799302 /nfs/dbraw/zinc/79/93/02/599799302.db2.gz JVWWJTQUSZXCOT-WTKPLQERSA-N -1 0 331.290 3.621 20 0 EHADRM Cc1cc(=O)oc2cc(OCc3cc(C(=O)[O-])co3)c(Cl)cc12 ZINC000738314811 599803168 /nfs/dbraw/zinc/80/31/68/599803168.db2.gz OSDSMYKKBPIOLA-UHFFFAOYSA-N -1 0 334.711 3.625 20 0 EHADRM Cc1cc(C(=O)N2CC[C@@H](C(=O)[O-])C2)sc1-c1cccc(Cl)c1 ZINC000178268452 599817193 /nfs/dbraw/zinc/81/71/93/599817193.db2.gz WCVBLMUMFHCXOB-GFCCVEGCSA-N -1 0 349.839 3.924 20 0 EHADRM Cc1cc(C(=O)NC[C@@H](C)C(=O)[O-])sc1-c1cccc(Cl)c1 ZINC000263193026 599818574 /nfs/dbraw/zinc/81/85/74/599818574.db2.gz TWMFXZZYVRFIIN-SNVBAGLBSA-N -1 0 337.828 3.827 20 0 EHADRM CCCN(CCc1ccccn1)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000737019339 599818921 /nfs/dbraw/zinc/81/89/21/599818921.db2.gz GURLOAAQZLXTDS-UHFFFAOYSA-N -1 0 342.399 3.658 20 0 EHADRM O=C([O-])CC1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2F)CC1 ZINC000325864994 599819297 /nfs/dbraw/zinc/81/92/97/599819297.db2.gz ZGWMZELAADJKDJ-UHFFFAOYSA-N -1 0 348.296 3.563 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)c2csc(-c3ccoc3)n2)cc1 ZINC000737335796 599820659 /nfs/dbraw/zinc/82/06/59/599820659.db2.gz JLPRUQQGTKXFCW-UHFFFAOYSA-N -1 0 343.364 3.770 20 0 EHADRM C[C@H]1CCC[C@@H]1NC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000736777352 599822492 /nfs/dbraw/zinc/82/24/92/599822492.db2.gz BOFLFJCNIXBVCL-WFASDCNBSA-N -1 0 336.457 3.705 20 0 EHADRM Cc1cccc2sc(C(=O)N(C)C(C)(C)C(=O)[O-])c(Cl)c21 ZINC000738749590 599826637 /nfs/dbraw/zinc/82/66/37/599826637.db2.gz HVHKMZZXPKMOKK-UHFFFAOYSA-N -1 0 325.817 3.798 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N(Cc2ccccc2)C2CC2)cc1 ZINC000383560376 599827470 /nfs/dbraw/zinc/82/74/70/599827470.db2.gz JWLLRGRXPRJDAY-UHFFFAOYSA-N -1 0 338.407 3.900 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccccc1 ZINC000736322153 599828285 /nfs/dbraw/zinc/82/82/85/599828285.db2.gz PXUURIZRAVGAES-UHFFFAOYSA-N -1 0 340.423 3.803 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2ccc(CCC(=O)[O-])cc2)s1 ZINC000322673452 599829007 /nfs/dbraw/zinc/82/90/07/599829007.db2.gz FCFMVDVPKRHPNI-GFCCVEGCSA-N -1 0 332.425 3.956 20 0 EHADRM Cc1ccccc1CN(Cc1ccccc1)C(=O)NCCCC(=O)[O-] ZINC000263494611 599830391 /nfs/dbraw/zinc/83/03/91/599830391.db2.gz SIYQSYXCPTUOPY-UHFFFAOYSA-N -1 0 340.423 3.572 20 0 EHADRM C[C@@H]1CCCC[C@H]1CC(=O)N(CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000736779697 599832936 /nfs/dbraw/zinc/83/29/36/599832936.db2.gz JUOQRDBSUMBHCY-OCCSQVGLSA-N -1 0 339.382 3.594 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)[C@H]1CCCc3ccccc31)CCC2 ZINC000324143024 599835441 /nfs/dbraw/zinc/83/54/41/599835441.db2.gz WGSIOSPSYTVVHA-ZDUSSCGKSA-N -1 0 341.432 3.994 20 0 EHADRM CC(C)N(Cc1ccccn1)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000736472303 599838109 /nfs/dbraw/zinc/83/81/09/599838109.db2.gz QTUFQRXOWUKWFD-UHFFFAOYSA-N -1 0 328.372 3.614 20 0 EHADRM Cc1ccc(-c2cc(C(=O)N(C)c3ccccc3C(=O)[O-])on2)cc1 ZINC000738248726 599838727 /nfs/dbraw/zinc/83/87/27/599838727.db2.gz JZILVLRCLGHKDC-UHFFFAOYSA-N -1 0 336.347 3.625 20 0 EHADRM O=C([O-])c1ccc2ccccc2c1OC(=O)/C=C/c1cncc(F)c1 ZINC000739216088 599841095 /nfs/dbraw/zinc/84/10/95/599841095.db2.gz ILGUTBOTJDODPW-VMPITWQZSA-N -1 0 337.306 3.691 20 0 EHADRM CC(C)c1ccc(C2(C(=O)N3CC[C@H](C(=O)[O-])C3)CCCC2)cc1 ZINC000178257767 599844314 /nfs/dbraw/zinc/84/43/14/599844314.db2.gz FGZINFRLZGVAQI-INIZCTEOSA-N -1 0 329.440 3.555 20 0 EHADRM Cc1cccc(OCCCC(=O)Nc2cccc(F)c2C(=O)[O-])c1 ZINC000324764538 599847428 /nfs/dbraw/zinc/84/74/28/599847428.db2.gz AQCONXYBVZSWBF-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)/C=C/c1nc2ccccc2s1 ZINC000739217307 599847828 /nfs/dbraw/zinc/84/78/28/599847828.db2.gz XLXSCXJAVRCARI-CMDGGOBGSA-N -1 0 342.351 3.786 20 0 EHADRM Cc1cc(C(=O)N(C)C(C)(C)C(=O)[O-])c(C)n1[C@@H](C)c1ccccc1 ZINC000262467143 599848232 /nfs/dbraw/zinc/84/82/32/599848232.db2.gz RPYOSEIQEQDHDJ-AWEZNQCLSA-N -1 0 342.439 3.649 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C)cc2)cc1 ZINC000237352960 599848566 /nfs/dbraw/zinc/84/85/66/599848566.db2.gz URFJIBMQBHREHC-MRXNPFEDSA-N -1 0 329.421 3.663 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(C)c2)cc1 ZINC000237363069 599849046 /nfs/dbraw/zinc/84/90/46/599849046.db2.gz FEQBDTPMXOOCQI-INIZCTEOSA-N -1 0 329.421 3.663 20 0 EHADRM Cc1ccccc1-c1cccc([C@H]2NC(=O)N(C)C(C)=C2C(=O)[O-])c1 ZINC000736751035 599849656 /nfs/dbraw/zinc/84/96/56/599849656.db2.gz OASKYZGYUXZYOU-GOSISDBHSA-N -1 0 336.391 3.717 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)CN1CCc2ccccc21 ZINC000739295976 599849716 /nfs/dbraw/zinc/84/97/16/599849716.db2.gz YQJVDVRELUMESN-UHFFFAOYSA-N -1 0 346.386 3.539 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OCc1ccn(-c2ccccc2)n1 ZINC000320146932 599855546 /nfs/dbraw/zinc/85/55/46/599855546.db2.gz CHPRQBFNZRCRHQ-UHFFFAOYSA-N -1 0 328.755 3.803 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)OCc1ncc(-c2ccccc2)o1 ZINC000740053809 599868257 /nfs/dbraw/zinc/86/82/57/599868257.db2.gz AHMMGBSAYOVREF-UHFFFAOYSA-N -1 0 338.319 3.789 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)OCc1cc(-c2ccccc2)on1 ZINC000740053836 599868395 /nfs/dbraw/zinc/86/83/95/599868395.db2.gz BRKHHBBTXUUNEX-UHFFFAOYSA-N -1 0 338.319 3.789 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)c1cc(F)ccc1F ZINC000676019332 599872398 /nfs/dbraw/zinc/87/23/98/599872398.db2.gz WBCFPSUEBSSQHR-UHFFFAOYSA-N -1 0 347.342 3.808 20 0 EHADRM Cc1ncccc1C(=O)OCc1c2ccccc2sc1C(=O)[O-] ZINC000738886724 599877461 /nfs/dbraw/zinc/87/74/61/599877461.db2.gz CJPQRJXYEUOZAU-UHFFFAOYSA-N -1 0 327.361 3.660 20 0 EHADRM O=C([O-])c1coc(COC(=O)c2ccc(SC(F)F)cc2)c1 ZINC000740271765 599880064 /nfs/dbraw/zinc/88/00/64/599880064.db2.gz REAAGWRNHWMCKV-UHFFFAOYSA-N -1 0 328.292 3.650 20 0 EHADRM CCCO[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)CC1 ZINC000737027377 599880828 /nfs/dbraw/zinc/88/08/28/599880828.db2.gz BSWMLBJEUCWFLZ-OAHLLOKOSA-N -1 0 334.416 3.506 20 0 EHADRM CCC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC000736972947 599881405 /nfs/dbraw/zinc/88/14/05/599881405.db2.gz HTDUQFZJRIGCSQ-HOCLYGCPSA-N -1 0 348.443 3.552 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)OCc1cc(C(=O)[O-])co1 ZINC000736717042 599883196 /nfs/dbraw/zinc/88/31/96/599883196.db2.gz NKEYFMOJAISUHT-VIFPVBQESA-N -1 0 340.784 3.855 20 0 EHADRM CC(C)c1cccc(O[C@H](C)C(=O)OCc2cc(C(=O)[O-])co2)c1 ZINC000736703720 599883510 /nfs/dbraw/zinc/88/35/10/599883510.db2.gz IATSDGXAXPYCFE-GFCCVEGCSA-N -1 0 332.352 3.612 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)OCc1cc(C(=O)[O-])co1 ZINC000738550845 599883938 /nfs/dbraw/zinc/88/39/38/599883938.db2.gz JJRRCKNUPGJPEX-CYBMUJFWSA-N -1 0 346.379 3.920 20 0 EHADRM CC(C)(C)n1cc(/C=C(/C#N)C(=O)[O-])c(-c2ccccc2Cl)n1 ZINC000066468369 599886530 /nfs/dbraw/zinc/88/65/30/599886530.db2.gz KMVBPCNDTRDPKA-FLIBITNWSA-N -1 0 329.787 3.950 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CCC[C@@H]1C1CCC1 ZINC000736486784 599886868 /nfs/dbraw/zinc/88/68/68/599886868.db2.gz DIKWXHYUKBYWBX-MRXNPFEDSA-N -1 0 346.427 3.968 20 0 EHADRM CCc1ccc(-c2csc(NC(=O)[C@@H](NC(=O)[O-])C(C)C)n2)cc1 ZINC000737252352 599888832 /nfs/dbraw/zinc/88/88/32/599888832.db2.gz MSFKXIMRSDNVOO-AWEZNQCLSA-N -1 0 347.440 3.603 20 0 EHADRM Cc1nc(NC(=O)c2cccc(OC3CCCC3)c2)sc1C(=O)[O-] ZINC000738360040 599890298 /nfs/dbraw/zinc/89/02/98/599890298.db2.gz IDJDZMNXEDPRNZ-UHFFFAOYSA-N -1 0 346.408 3.723 20 0 EHADRM Cc1cccc2sc(NC(=O)c3cccc(NC(=O)[O-])c3)nc21 ZINC000738749656 599895512 /nfs/dbraw/zinc/89/55/12/599895512.db2.gz JKUSVRLBRFRLKV-UHFFFAOYSA-N -1 0 327.365 3.947 20 0 EHADRM CCCCCN(CCCCC)C(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000736990472 599899386 /nfs/dbraw/zinc/89/93/86/599899386.db2.gz LNTXZTYWLPTWKJ-OAHLLOKOSA-N -1 0 327.469 3.521 20 0 EHADRM O=C([O-])COc1ccc(C(=O)N(c2ccccc2)C2CCCC2)cc1 ZINC000739824787 599900020 /nfs/dbraw/zinc/90/00/20/599900020.db2.gz VZVKSYQIWPSERH-UHFFFAOYSA-N -1 0 339.391 3.739 20 0 EHADRM COc1ccc2c(c1)CCC[C@H]2NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000738074204 599903336 /nfs/dbraw/zinc/90/33/36/599903336.db2.gz OONMJYQRWCFHQS-QGZVFWFLSA-N -1 0 340.379 3.593 20 0 EHADRM CC(C)[C@H](CC(=O)N(CC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC000736352853 599906251 /nfs/dbraw/zinc/90/62/51/599906251.db2.gz KWZMGXIRXGYHAU-IBGZPJMESA-N -1 0 339.435 3.930 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CSc1nnc(C2CC2)[nH]1 ZINC000740281758 599909221 /nfs/dbraw/zinc/90/92/21/599909221.db2.gz YBQPFFCMKCAGHB-UHFFFAOYSA-N -1 0 331.422 3.887 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000738122003 599909412 /nfs/dbraw/zinc/90/94/12/599909412.db2.gz VZXUUTKNKCTMBU-ZDUSSCGKSA-N -1 0 342.395 3.942 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2cccc(COCC3CC3)c2)c1 ZINC000740037976 599909932 /nfs/dbraw/zinc/90/99/32/599909932.db2.gz ZUVFZZHVMDYUKM-UHFFFAOYSA-N -1 0 340.379 3.955 20 0 EHADRM C[C@H](CC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)c1ccccc1F ZINC000237582919 599912496 /nfs/dbraw/zinc/91/24/96/599912496.db2.gz UAGOMNWRCGCUSA-OQUILHJVSA-N -1 0 333.403 3.564 20 0 EHADRM Cc1cccc(C2(C(=O)OCc3ccc(C(=O)[O-])o3)CCCC2)c1 ZINC000738687295 599913043 /nfs/dbraw/zinc/91/30/43/599913043.db2.gz HKFXQFTYUQRCOW-UHFFFAOYSA-N -1 0 328.364 3.841 20 0 EHADRM COc1ccc(Cl)cc1CC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000237084425 599917014 /nfs/dbraw/zinc/91/70/14/599917014.db2.gz GRUDBNMZFBYMAD-UHFFFAOYSA-N -1 0 333.771 3.536 20 0 EHADRM C[C@H](CN(C(=O)c1ccc(Oc2ccccc2)cc1)C1CC1)C(=O)[O-] ZINC000237381949 599924043 /nfs/dbraw/zinc/92/40/43/599924043.db2.gz KSZDKOOXOUIGJA-CQSZACIVSA-N -1 0 339.391 3.804 20 0 EHADRM Cc1c(NC(=O)Cc2coc(-c3cccs3)n2)cccc1C(=O)[O-] ZINC000675966613 599927886 /nfs/dbraw/zinc/92/78/86/599927886.db2.gz SPGKRVDTYMLLKI-UHFFFAOYSA-N -1 0 342.376 3.591 20 0 EHADRM Cc1cc2nc(-c3ccccc3)cc(C(=O)N(C)CC(=O)[O-])c2cc1C ZINC000738248950 599930034 /nfs/dbraw/zinc/93/00/34/599930034.db2.gz FZZALEWSHPPOLQ-UHFFFAOYSA-N -1 0 348.402 3.675 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000139351365 599930966 /nfs/dbraw/zinc/93/09/66/599930966.db2.gz HUHBLTYXQMTHER-KDOFPFPSSA-N -1 0 343.398 3.727 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000139351482 599931067 /nfs/dbraw/zinc/93/10/67/599931067.db2.gz HUHBLTYXQMTHER-KBXCAEBGSA-N -1 0 343.398 3.727 20 0 EHADRM CCc1sc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)cc1C ZINC000320015826 599936082 /nfs/dbraw/zinc/93/60/82/599936082.db2.gz NTKNCXAGUSNRNF-CQSZACIVSA-N -1 0 331.437 3.955 20 0 EHADRM Cc1ccc(CC(=O)N[C@H](CCC(=O)[O-])c2ccccc2)cc1C ZINC000324314013 599937053 /nfs/dbraw/zinc/93/70/53/599937053.db2.gz FQZZJQLAOUNADP-GOSISDBHSA-N -1 0 325.408 3.568 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)c1cccc(OC(F)F)c1)c1ccccc1 ZINC000193453545 599938015 /nfs/dbraw/zinc/93/80/15/599938015.db2.gz OZGKTZIWRPBTRK-HNNXBMFYSA-N -1 0 349.333 3.624 20 0 EHADRM C[C@@H](CC(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-])CC(C)(C)C ZINC000736541525 599944095 /nfs/dbraw/zinc/94/40/95/599944095.db2.gz KOWSRGCJEQTVAZ-DZGCQCFKSA-N -1 0 337.435 3.648 20 0 EHADRM Cc1oc(-c2ccsc2)nc1COC(=O)c1ccc(C(=O)[O-])s1 ZINC000738957471 599944603 /nfs/dbraw/zinc/94/46/03/599944603.db2.gz KWCOJDJXWUFLEK-UHFFFAOYSA-N -1 0 349.389 3.828 20 0 EHADRM CCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1OCC ZINC000261608869 599950076 /nfs/dbraw/zinc/95/00/76/599950076.db2.gz DGZNPRGFLIDWKC-UHFFFAOYSA-N -1 0 343.379 3.743 20 0 EHADRM CCc1ccc(C(=O)CCC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000237133602 599950469 /nfs/dbraw/zinc/95/04/69/599950469.db2.gz IDIVWYOVCNVKGW-UHFFFAOYSA-N -1 0 339.391 3.857 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)N[C@H](C)c1csc2ccccc21 ZINC000736422977 599951043 /nfs/dbraw/zinc/95/10/43/599951043.db2.gz RSTRUXVJZVABJS-BXUZGUMPSA-N -1 0 334.441 3.761 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)c1ccccc1 ZINC000193452956 599952342 /nfs/dbraw/zinc/95/23/42/599952342.db2.gz WREWPQAOOXRYLU-LLVKDONJSA-N -1 0 341.194 3.657 20 0 EHADRM O=C([O-])c1coc(COC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)c1 ZINC000740268929 599953668 /nfs/dbraw/zinc/95/36/68/599953668.db2.gz XLIITPLQEXDQRW-MSOLQXFVSA-N -1 0 336.343 3.978 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)Nc2cc(C(=O)[O-])ccc2F)c(C)c1 ZINC000738589775 599955529 /nfs/dbraw/zinc/95/55/29/599955529.db2.gz XAFWJAPCKFFRET-CYBMUJFWSA-N -1 0 344.386 3.893 20 0 EHADRM CCn1c(CN(C)Cc2ccc(C(=O)[O-])cc2)nc2c1cccc2F ZINC000563285217 599961772 /nfs/dbraw/zinc/96/17/72/599961772.db2.gz ZDQAUEZUNWFEBD-UHFFFAOYSA-N -1 0 341.386 3.526 20 0 EHADRM Cc1cc(C)c(NC(=O)CNc2ccc(C(=O)[O-])c(C)c2)c(C)c1 ZINC000738357971 599962116 /nfs/dbraw/zinc/96/21/16/599962116.db2.gz JTGZOLCGOVBZNI-UHFFFAOYSA-N -1 0 326.396 3.669 20 0 EHADRM Cc1cc(NCC(=O)Nc2ccc3ccccc3c2)ccc1C(=O)[O-] ZINC000738458424 599962840 /nfs/dbraw/zinc/96/28/40/599962840.db2.gz IGCJSGRVWATEGR-UHFFFAOYSA-N -1 0 334.375 3.897 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)[C@H](C)c1ccccc1F ZINC000737874554 599971160 /nfs/dbraw/zinc/97/11/60/599971160.db2.gz WHGVONDIGSIALM-ZJNQMXKESA-N -1 0 344.338 3.641 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000736512708 599978277 /nfs/dbraw/zinc/97/82/77/599978277.db2.gz MOGSFCXVJBPYFE-MRXNPFEDSA-N -1 0 333.334 3.644 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)c1ccc(SCc2ccccc2)cc1 ZINC000236946173 599992808 /nfs/dbraw/zinc/99/28/08/599992808.db2.gz LRFXXOMYJUEPKC-UHFFFAOYSA-N -1 0 343.448 3.916 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000740042767 599994564 /nfs/dbraw/zinc/99/45/64/599994564.db2.gz LMMPLLXMJMUAMO-OLZOCXBDSA-N -1 0 332.306 3.797 20 0 EHADRM Cc1oc(CN(C)C(=O)c2c[nH]c3cc(Cl)ccc32)cc1C(=O)[O-] ZINC000738966889 599996649 /nfs/dbraw/zinc/99/66/49/599996649.db2.gz MFJCQHJTIWGHMV-UHFFFAOYSA-N -1 0 346.770 3.693 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)/C=C\c2ccc(Cl)cc2)c1 ZINC000391246663 599998480 /nfs/dbraw/zinc/99/84/80/599998480.db2.gz LQUJXWDWXLSMPQ-WTKPLQERSA-N -1 0 331.755 3.699 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)OCCOc2ccc(Cl)cc2)c1 ZINC000740040325 599999325 /nfs/dbraw/zinc/99/93/25/599999325.db2.gz UKNDGMHYAYSONV-UHFFFAOYSA-N -1 0 335.743 3.666 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cc(Cl)ccc2Cl)c1 ZINC000316947650 600000887 /nfs/dbraw/zinc/00/08/87/600000887.db2.gz YYOBDWXRYABGDJ-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2sc(C(C)(C)C)nc2C)c1 ZINC000737941872 600001760 /nfs/dbraw/zinc/00/17/60/600001760.db2.gz ACVUPEKFTGBRMK-UHFFFAOYSA-N -1 0 348.424 3.708 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)C[C@@H](C)c2ccccc2F)c1 ZINC000737935892 600004060 /nfs/dbraw/zinc/00/40/60/600004060.db2.gz UWXFOSPOXNJSAT-LLVKDONJSA-N -1 0 331.343 3.665 20 0 EHADRM CC(C)C[C@@H](NC(=O)NC1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000263031182 600012637 /nfs/dbraw/zinc/01/26/37/600012637.db2.gz PJPISRWRESFORR-OFLPRAFFSA-N -1 0 332.444 3.716 20 0 EHADRM CCOc1ccc([C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000737195200 600015804 /nfs/dbraw/zinc/01/58/04/600015804.db2.gz LSVOYVQEDSCHGG-CYBMUJFWSA-N -1 0 342.395 3.975 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)sc1-c1ccc(F)cc1 ZINC000128503407 600019419 /nfs/dbraw/zinc/01/94/19/600019419.db2.gz HFNNUBQYBSRYLR-CYBMUJFWSA-N -1 0 347.411 3.799 20 0 EHADRM CCC(CC)(C(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000236865809 600019817 /nfs/dbraw/zinc/01/98/17/600019817.db2.gz JKSGEEWHNQSJLX-CYBMUJFWSA-N -1 0 337.847 3.721 20 0 EHADRM C[C@@H](CCNC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000392615510 600021576 /nfs/dbraw/zinc/02/15/76/600021576.db2.gz BVFZDPQOUHLSOI-AWEZNQCLSA-N -1 0 338.407 3.604 20 0 EHADRM CC(C)(CNc1ccc(C(=O)[O-])nn1)c1cccc(C(F)(F)F)c1 ZINC000736323797 600023754 /nfs/dbraw/zinc/02/37/54/600023754.db2.gz LAXBJUHXXUJBHU-UHFFFAOYSA-N -1 0 339.317 3.583 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)c1 ZINC000739888633 600024169 /nfs/dbraw/zinc/02/41/69/600024169.db2.gz FGVUFSAKFOAJHO-JKSUJKDBSA-N -1 0 330.767 3.676 20 0 EHADRM Cc1cccc(C[C@H](CNC(=O)Nc2ccc(F)cc2C)C(=O)[O-])c1 ZINC000738707014 600024718 /nfs/dbraw/zinc/02/47/18/600024718.db2.gz AUTUCIKKXBHPQA-OAHLLOKOSA-N -1 0 344.386 3.508 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000736762819 600026705 /nfs/dbraw/zinc/02/67/05/600026705.db2.gz MAYQZHOJCYBKTE-JLSDUUJJSA-N -1 0 348.439 3.697 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCN2C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263505282 600028692 /nfs/dbraw/zinc/02/86/92/600028692.db2.gz WYKUTWNPISFAKP-UHFFFAOYSA-N -1 0 344.455 3.700 20 0 EHADRM CCCOc1cc(C)ccc1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263469530 600031436 /nfs/dbraw/zinc/03/14/36/600031436.db2.gz HGTCUQOMSYOSQX-UHFFFAOYSA-N -1 0 334.416 3.549 20 0 EHADRM Cc1csc(CCCCNC(=O)Nc2cc(C(=O)[O-])ccc2C)n1 ZINC000738816275 600031950 /nfs/dbraw/zinc/03/19/50/600031950.db2.gz QDVWWXVJNAGVRR-UHFFFAOYSA-N -1 0 347.440 3.603 20 0 EHADRM Cc1ccc2c(c1)[C@H](NC(=O)Nc1cccc(NC(=O)[O-])c1)CC2 ZINC000738669364 600032568 /nfs/dbraw/zinc/03/25/68/600032568.db2.gz FVCJTVZDUBOTRE-MRXNPFEDSA-N -1 0 325.368 3.894 20 0 EHADRM Cc1c(NC(=O)N[C@H]2CCc3ccc(F)cc32)cccc1C(=O)[O-] ZINC000738303840 600032623 /nfs/dbraw/zinc/03/26/23/600032623.db2.gz LJKKSZOZOLNXOK-INIZCTEOSA-N -1 0 328.343 3.641 20 0 EHADRM O=C([O-])C1CCC(NC(=S)Nc2ccc3ccccc3c2)CC1 ZINC000739563826 600034460 /nfs/dbraw/zinc/03/44/60/600034460.db2.gz RIPGGRUIUHKSJZ-UHFFFAOYSA-N -1 0 328.437 3.770 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000485659933 600035708 /nfs/dbraw/zinc/03/57/08/600035708.db2.gz HAJPXYOSCRBAIW-KBAYOESNSA-N -1 0 329.440 3.793 20 0 EHADRM COc1ccc([C@H](C)N(C)C(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000237241721 600036521 /nfs/dbraw/zinc/03/65/21/600036521.db2.gz CZVBABKFCQFDAN-AWEZNQCLSA-N -1 0 341.407 3.546 20 0 EHADRM CC(C)COc1ccc(CC(=O)NC2(C(=O)[O-])CCCCCC2)cc1 ZINC000736445794 600037303 /nfs/dbraw/zinc/03/73/03/600037303.db2.gz KZKMFLCRBPPWHI-UHFFFAOYSA-N -1 0 347.455 3.558 20 0 EHADRM Cc1ccccc1CN(C(=O)CCc1ccc(C(=O)[O-])cc1)C1CC1 ZINC000738769531 600038346 /nfs/dbraw/zinc/03/83/46/600038346.db2.gz CXNPYAXKBGISAN-UHFFFAOYSA-N -1 0 337.419 3.817 20 0 EHADRM C[C@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc(Cl)s1 ZINC000237615887 600038382 /nfs/dbraw/zinc/03/83/82/600038382.db2.gz ARPXZQQUZXFFHU-JTQLQIEISA-N -1 0 337.828 3.910 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3CCC[C@H](C(=O)[O-])C3)c(F)c2)cc1 ZINC000136149403 600039330 /nfs/dbraw/zinc/03/93/30/600039330.db2.gz YSBVGGGKJOYMQV-INIZCTEOSA-N -1 0 341.382 3.738 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Oc2ccc(OCC3CC3)cc2)cc1 ZINC000739260515 600042458 /nfs/dbraw/zinc/04/24/58/600042458.db2.gz KGRBYGWUUGOAHP-UHFFFAOYSA-N -1 0 340.375 3.712 20 0 EHADRM CC(C)N(C(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000736455094 600043084 /nfs/dbraw/zinc/04/30/84/600043084.db2.gz LSQLQSBOURMVAH-UHFFFAOYSA-N -1 0 329.371 3.898 20 0 EHADRM Cc1cc(C)cc([C@@H](C)NC(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000237578869 600044670 /nfs/dbraw/zinc/04/46/70/600044670.db2.gz FYTNARDPEWYYHF-OAHLLOKOSA-N -1 0 325.408 3.812 20 0 EHADRM CC(C)(C(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccccc1Cl ZINC000621557272 600047347 /nfs/dbraw/zinc/04/73/47/600047347.db2.gz BYGJMAIEJLHGKK-UHFFFAOYSA-N -1 0 343.810 3.858 20 0 EHADRM Cc1ccc(-c2nnc(SCc3ccc(C(=O)[O-])o3)o2)c(C)c1 ZINC000738493766 600056710 /nfs/dbraw/zinc/05/67/10/600056710.db2.gz DNSDEVUOYFYJHS-UHFFFAOYSA-N -1 0 330.365 3.937 20 0 EHADRM CCOc1ccc(COC(=O)c2cccc(NC(=O)[O-])c2)cc1OC ZINC000737204585 600056718 /nfs/dbraw/zinc/05/67/18/600056718.db2.gz XAZRQBYRDOPSSL-UHFFFAOYSA-N -1 0 345.351 3.541 20 0 EHADRM O=C([O-])c1cc(F)ccc1CSc1n[nH]c(-c2ccccc2)n1 ZINC000740078321 600058186 /nfs/dbraw/zinc/05/81/86/600058186.db2.gz RZUXEGCDMMBQTA-UHFFFAOYSA-N -1 0 329.356 3.601 20 0 EHADRM Cc1cccc(C[C@H](CNC(=O)c2ccc3ccccc3c2)C(=O)[O-])c1 ZINC000237701890 600071027 /nfs/dbraw/zinc/07/10/27/600071027.db2.gz AGVPKDKWMKCNTD-HXUWFJFHSA-N -1 0 347.414 3.822 20 0 EHADRM Cc1[nH]c2c(cccc2C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1C ZINC000738246936 600073423 /nfs/dbraw/zinc/07/34/23/600073423.db2.gz RIFYDAHWQGPTQP-UHFFFAOYSA-N -1 0 334.375 3.639 20 0 EHADRM Cc1cc2oc(=O)cc(CNc3cccc(F)c3C(=O)[O-])c2cc1C ZINC000738486680 600076147 /nfs/dbraw/zinc/07/61/47/600076147.db2.gz GJHFNGNICGRJSM-UHFFFAOYSA-N -1 0 341.338 3.859 20 0 EHADRM CC(C)(C)OC(=O)NCc1cccc(OCc2cc(C(=O)[O-])co2)c1 ZINC000736284052 600077572 /nfs/dbraw/zinc/07/75/72/600077572.db2.gz UGPULAWQDMSBOS-UHFFFAOYSA-N -1 0 347.367 3.582 20 0 EHADRM Cc1nc(Cl)cc(Nc2cccc(CSCCC(=O)[O-])c2)n1 ZINC000738858607 600079768 /nfs/dbraw/zinc/07/97/68/600079768.db2.gz IGFIBEIGZWPDDJ-UHFFFAOYSA-N -1 0 337.832 3.890 20 0 EHADRM Cc1ccc(-c2nsc(NC(=O)c3ccc(C(=O)[O-])cc3)n2)s1 ZINC000738495319 600083102 /nfs/dbraw/zinc/08/31/02/600083102.db2.gz SHKYAHJNDHNFQI-UHFFFAOYSA-N -1 0 345.405 3.526 20 0 EHADRM CCN(CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)[C@H](C)c1ccc(F)cc1 ZINC000737079869 600084945 /nfs/dbraw/zinc/08/49/45/600084945.db2.gz UVPGBPHWXDXTKS-CYBMUJFWSA-N -1 0 346.402 3.735 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)ccc1F ZINC000740005339 600088138 /nfs/dbraw/zinc/08/81/38/600088138.db2.gz GTVBYBYUCRKLGN-OLZOCXBDSA-N -1 0 332.306 3.797 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2cccc(-n3cccc3)c2)ccc1F ZINC000740012018 600089628 /nfs/dbraw/zinc/08/96/28/600089628.db2.gz IUZQGADKCYZDTP-UHFFFAOYSA-N -1 0 339.326 3.959 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NCC2(c3ccc(Cl)cc3)CC2)cc1 ZINC000738661379 600090958 /nfs/dbraw/zinc/09/09/58/600090958.db2.gz SMEPXNNRCDINGM-UHFFFAOYSA-N -1 0 344.798 3.892 20 0 EHADRM C[C@@H](OC(=O)CCc1ccc(C(=O)[O-])cc1)c1cc(F)ccc1F ZINC000736689890 600100594 /nfs/dbraw/zinc/10/05/94/600100594.db2.gz ALEXPBDPCGUJGH-LLVKDONJSA-N -1 0 334.318 3.900 20 0 EHADRM O=C([O-])[C@@H](c1ccc(F)cc1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000580652262 600102196 /nfs/dbraw/zinc/10/21/96/600102196.db2.gz DVHCORPPEQYNJJ-IAGOWNOFSA-N -1 0 349.789 3.678 20 0 EHADRM CC(C)(C)c1ccc(CCCC(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000236582062 600102913 /nfs/dbraw/zinc/10/29/13/600102913.db2.gz SIAWOQBJWKJYCS-UHFFFAOYSA-N -1 0 331.456 3.630 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]1c1nc(-c2ccc(COc3ccccc3)cc2)no1 ZINC000739560015 600109003 /nfs/dbraw/zinc/10/90/03/600109003.db2.gz KXBMIAVDLKMWSG-JKSUJKDBSA-N -1 0 336.347 3.504 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)Nc1ccc(OC(F)F)cc1)C2 ZINC000326811508 600111107 /nfs/dbraw/zinc/11/11/07/600111107.db2.gz FRSGVEVHPKUTQU-UHFFFAOYSA-N -1 0 348.305 3.534 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)c1cnc(-c2ccco2)s1 ZINC000740291237 600119913 /nfs/dbraw/zinc/11/99/13/600119913.db2.gz SPOOOQKAFIOUAW-UHFFFAOYSA-N -1 0 347.323 3.597 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)CCCc1cccs1 ZINC000736185965 600122828 /nfs/dbraw/zinc/12/28/28/600122828.db2.gz HGVGTIFOXRUDDE-UHFFFAOYSA-N -1 0 332.377 3.577 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC000736187705 600123140 /nfs/dbraw/zinc/12/31/40/600123140.db2.gz YJIUIPGDBDZLMY-LLVKDONJSA-N -1 0 344.338 3.826 20 0 EHADRM CC[C@H](C)[C@H](C)NC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000736870979 600124028 /nfs/dbraw/zinc/12/40/28/600124028.db2.gz MSZLPFAEBSMLFN-STQMWFEESA-N -1 0 338.473 3.951 20 0 EHADRM CC[C@H](NC(=O)Nc1cccc(CSCCC(=O)[O-])c1)C(C)C ZINC000736913919 600124152 /nfs/dbraw/zinc/12/41/52/600124152.db2.gz IEPOLZVHRQEQII-HNNXBMFYSA-N -1 0 338.473 3.951 20 0 EHADRM CC(C)[C@H]1CCC[C@@H](NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000736396012 600125713 /nfs/dbraw/zinc/12/57/13/600125713.db2.gz UDRGSVABFPFTNL-DLBZAZTESA-N -1 0 332.444 3.741 20 0 EHADRM CCCc1nc(C)c(C(=O)N[C@@](CC)(C(=O)[O-])c2ccccc2)s1 ZINC000262445511 600129819 /nfs/dbraw/zinc/12/98/19/600129819.db2.gz QJDXPQSDLBSIGB-GOSISDBHSA-N -1 0 346.452 3.524 20 0 EHADRM CC[C@@](NC(=O)CCCc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000485383733 600129995 /nfs/dbraw/zinc/12/99/95/600129995.db2.gz VDVNCQUNWXKXLS-FQEVSTJZSA-N -1 0 325.408 3.516 20 0 EHADRM Cc1ccc(OC(=O)c2cc(Br)cs2)c(C(=O)[O-])c1 ZINC000738641543 600132840 /nfs/dbraw/zinc/13/28/40/600132840.db2.gz VMCXBVGXGLSLJI-UHFFFAOYSA-N -1 0 341.182 3.736 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000675965879 600143596 /nfs/dbraw/zinc/14/35/96/600143596.db2.gz DOROEQSZKAPBAA-CYBMUJFWSA-N -1 0 341.407 3.909 20 0 EHADRM C[C@@H]1C[C@@H](CC(=O)OCC(=O)c2cc(C(=O)[O-])co2)CC(C)(C)C1 ZINC000736755675 600144259 /nfs/dbraw/zinc/14/42/59/600144259.db2.gz OQSYJVJPTRVBAV-NEPJUHHUSA-N -1 0 336.384 3.556 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)c1sccc1SC(F)F ZINC000739636394 600146608 /nfs/dbraw/zinc/14/66/08/600146608.db2.gz GBCCALBCVFLVFD-QMMMGPOBSA-N -1 0 335.397 3.532 20 0 EHADRM Cc1cc(C)c(C)c(OCCC(=O)Nc2cccc(F)c2C(=O)[O-])c1 ZINC000738355306 600147964 /nfs/dbraw/zinc/14/79/64/600147964.db2.gz GVZAHNCJTCTQPX-UHFFFAOYSA-N -1 0 345.370 3.857 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NCCCCCC(=O)[O-] ZINC000237521139 600149892 /nfs/dbraw/zinc/14/98/92/600149892.db2.gz MTDCISSBGIHCEF-LLVKDONJSA-N -1 0 346.254 3.933 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)CCc1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000237031359 600150201 /nfs/dbraw/zinc/15/02/01/600150201.db2.gz VDTJLSFJTIAJSK-AUUYWEPGSA-N -1 0 347.455 3.556 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N[C@H](C(=O)[O-])C(C)C)c(F)c2)cc1C ZINC000738487718 600150389 /nfs/dbraw/zinc/15/03/89/600150389.db2.gz DLCQIWOLXXGDES-SFHVURJKSA-N -1 0 343.398 3.949 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3CC[C@H](C(=O)[O-])C3)c(F)c2)cc1C ZINC000237713779 600150582 /nfs/dbraw/zinc/15/05/82/600150582.db2.gz YERVCEZAUYRENB-INIZCTEOSA-N -1 0 341.382 3.656 20 0 EHADRM Cc1ccc(CCCC(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000486368471 600156497 /nfs/dbraw/zinc/15/64/97/600156497.db2.gz GEWYBZINUBWCIN-LJQANCHMSA-N -1 0 339.435 3.611 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1CCc2ccccc21 ZINC000262657213 600158262 /nfs/dbraw/zinc/15/82/62/600158262.db2.gz SWIDQCQSTYCOCJ-MRXNPFEDSA-N -1 0 339.391 3.841 20 0 EHADRM Cc1ccc([C@H](CNC(=O)C(C)(C)c2ccc(C)cc2)C(=O)[O-])cc1 ZINC000486403556 600158882 /nfs/dbraw/zinc/15/88/82/600158882.db2.gz HHQJQSXNFVPVCR-SFHVURJKSA-N -1 0 339.435 3.566 20 0 EHADRM CCCCN(Cc1ccccc1Cl)C(=O)C(C)(C)NC(=O)[O-] ZINC000736994323 600160459 /nfs/dbraw/zinc/16/04/59/600160459.db2.gz RZTDUSGMHHCETD-UHFFFAOYSA-N -1 0 326.824 3.515 20 0 EHADRM Cc1ccc([C@H](CNC(=O)c2csc3ccccc23)C(=O)[O-])cc1 ZINC000486369026 600161254 /nfs/dbraw/zinc/16/12/54/600161254.db2.gz GJRROTYZVGKKJM-HNNXBMFYSA-N -1 0 339.416 3.808 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000479578125 600166983 /nfs/dbraw/zinc/16/69/83/600166983.db2.gz KFLBARVEBBPGHB-LLVKDONJSA-N -1 0 333.384 3.784 20 0 EHADRM Cc1oc(-c2cccs2)nc1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000738956940 600166988 /nfs/dbraw/zinc/16/69/88/600166988.db2.gz WPJDFRJOBZGLRU-UHFFFAOYSA-N -1 0 346.339 3.801 20 0 EHADRM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000321640621 600168136 /nfs/dbraw/zinc/16/81/36/600168136.db2.gz PKKKAPLYHFHXGJ-SECBINFHSA-N -1 0 337.734 3.583 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000738125630 600175636 /nfs/dbraw/zinc/17/56/36/600175636.db2.gz HSHXAAVRQRHAOI-QWHCGFSZSA-N -1 0 346.379 3.860 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)OCc1cc(C(=O)[O-])oc1C ZINC000738125513 600175742 /nfs/dbraw/zinc/17/57/42/600175742.db2.gz FODRIIOXLSDPTB-LBPRGKRZSA-N -1 0 346.379 3.607 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC000738125614 600175769 /nfs/dbraw/zinc/17/57/69/600175769.db2.gz HJEHKTBBYZVCMH-IFXJQAMLSA-N -1 0 342.391 3.633 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)Nc1ccc(CC(=O)[O-])cc1)C(C)C ZINC000738786452 600182396 /nfs/dbraw/zinc/18/23/96/600182396.db2.gz RHJXNDNSUBEJLG-QGZVFWFLSA-N -1 0 341.411 3.536 20 0 EHADRM Cc1ccc(NC(=S)N2C[C@H](C(=O)[O-])c3ccccc32)cc1F ZINC000738628915 600188981 /nfs/dbraw/zinc/18/89/81/600188981.db2.gz VGEYUNNWQKLFDI-ZDUSSCGKSA-N -1 0 330.384 3.519 20 0 EHADRM Cc1cc(F)cc2[nH]c(C(=O)N(C)[C@H](C(=O)[O-])c3ccccc3)cc21 ZINC000738396371 600194393 /nfs/dbraw/zinc/19/43/93/600194393.db2.gz DLRBZXDZZWNPIL-KRWDZBQOSA-N -1 0 340.354 3.513 20 0 EHADRM O=C([O-])CN(C(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1 ZINC000739784951 600198561 /nfs/dbraw/zinc/19/85/61/600198561.db2.gz GHWWDDDXTAADSK-UHFFFAOYSA-N -1 0 328.755 3.553 20 0 EHADRM O=C([O-])c1ccc(NC(=O)/C=C\c2ccc3ccccc3n2)c(F)c1 ZINC000739216409 600199681 /nfs/dbraw/zinc/19/96/81/600199681.db2.gz QSZRYGVGYCXIBZ-NTMALXAHSA-N -1 0 336.322 3.724 20 0 EHADRM O=C([O-])CCCNC(=S)Nc1ccc(OC2CCCCC2)cc1 ZINC000739680675 600205850 /nfs/dbraw/zinc/20/58/50/600205850.db2.gz DOUNVPGDSYTIJW-UHFFFAOYSA-N -1 0 336.457 3.549 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)c1 ZINC000238153349 600206380 /nfs/dbraw/zinc/20/63/80/600206380.db2.gz DQKVVGSXWVPOJW-ZJUUUORDSA-N -1 0 335.281 3.544 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000237379919 600206775 /nfs/dbraw/zinc/20/67/75/600206775.db2.gz VVGZCYNWNFAEOR-KXBFYZLASA-N -1 0 337.419 3.527 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)cc1 ZINC000737329925 600207544 /nfs/dbraw/zinc/20/75/44/600207544.db2.gz OXKYBKUDDAXHQP-OLZOCXBDSA-N -1 0 346.333 3.821 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)C[C@@H](C)c2cccc(F)c2)c1 ZINC000737935490 600208351 /nfs/dbraw/zinc/20/83/51/600208351.db2.gz RHPGUPYUVINNSW-LLVKDONJSA-N -1 0 331.343 3.665 20 0 EHADRM CN(Cc1cc(-c2cccs2)on1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737454427 600211757 /nfs/dbraw/zinc/21/17/57/600211757.db2.gz PZYXLXJWORHAAG-INIZCTEOSA-N -1 0 328.393 3.661 20 0 EHADRM CCOc1ccc(C(C)=O)cc1CN(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737195234 600211970 /nfs/dbraw/zinc/21/19/70/600211970.db2.gz MKKYFSZZJIMFMJ-LJQANCHMSA-N -1 0 341.407 3.546 20 0 EHADRM Cc1ccc([C@H](CNC(=O)C[C@H](C)c2ccccc2C)C(=O)[O-])cc1 ZINC000486414703 600212288 /nfs/dbraw/zinc/21/22/88/600212288.db2.gz WFZVBFPEJXQYAD-LPHOPBHVSA-N -1 0 339.435 3.782 20 0 EHADRM Cc1ccc(CCC(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)cc1 ZINC000738589215 600213304 /nfs/dbraw/zinc/21/33/04/600213304.db2.gz KSSYEQWWQMDTPZ-UHFFFAOYSA-N -1 0 349.333 3.866 20 0 EHADRM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000736903443 600213896 /nfs/dbraw/zinc/21/38/96/600213896.db2.gz JPONNPSFWUMTTI-AWEZNQCLSA-N -1 0 348.830 3.734 20 0 EHADRM Cc1ccc(C)c(SCC(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000177473875 600215244 /nfs/dbraw/zinc/21/52/44/600215244.db2.gz CDCJMNGDLQSQDH-HNNXBMFYSA-N -1 0 341.432 3.611 20 0 EHADRM CCCCOc1ccc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000177479985 600219864 /nfs/dbraw/zinc/21/98/64/600219864.db2.gz LEUDMCRPCWEZOD-QGZVFWFLSA-N -1 0 339.391 3.694 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CCc1cc(Cl)cs1 ZINC000237024612 600246274 /nfs/dbraw/zinc/24/62/74/600246274.db2.gz YVWWIDQATJUPJJ-UHFFFAOYSA-N -1 0 337.828 3.691 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cccc(Oc3nccs3)c2)c1 ZINC000675999694 600246685 /nfs/dbraw/zinc/24/66/85/600246685.db2.gz DOEXPLRVFDFWBD-UHFFFAOYSA-N -1 0 340.360 3.886 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCc1cc(Cl)cs1 ZINC000262490226 600247304 /nfs/dbraw/zinc/24/73/04/600247304.db2.gz ZGATWQFIKADYHR-HONMWMINSA-N -1 0 341.860 3.578 20 0 EHADRM CC(C)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])on1 ZINC000736510358 600249572 /nfs/dbraw/zinc/24/95/72/600249572.db2.gz ULWHNEJLNRKZAI-UHFFFAOYSA-N -1 0 342.273 3.767 20 0 EHADRM O=C([O-])CSCCC(=O)O[C@H]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000739854421 600250528 /nfs/dbraw/zinc/25/05/28/600250528.db2.gz XNLRGFLSZFLJOW-CABCVRRESA-N -1 0 340.416 3.603 20 0 EHADRM CC[C@@H](CC(=O)Oc1c(OC)cccc1C(=O)[O-])c1ccccc1 ZINC000736892777 600250642 /nfs/dbraw/zinc/25/06/42/600250642.db2.gz CNNUWTLXRRJXOL-ZDUSSCGKSA-N -1 0 328.364 3.883 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1cc(Cl)sc1Cl ZINC000738090938 600251120 /nfs/dbraw/zinc/25/11/20/600251120.db2.gz UXWGCUZCERKVJB-UHFFFAOYSA-N -1 0 347.175 3.981 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)CCc2cc(Cl)cs2)cc1 ZINC000739984376 600252154 /nfs/dbraw/zinc/25/21/54/600252154.db2.gz DXSRMJZORUMJOQ-UHFFFAOYSA-N -1 0 338.816 3.740 20 0 EHADRM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000237573164 600253799 /nfs/dbraw/zinc/25/37/99/600253799.db2.gz MNUXFUAKXMCEDR-LRDDRELGSA-N -1 0 327.355 3.542 20 0 EHADRM Cc1cc(NC(=O)c2sc3nccc(C)c3c2C)c(C(=O)[O-])[nH]1 ZINC000738451618 600254370 /nfs/dbraw/zinc/25/43/70/600254370.db2.gz AZOXHISLZFSZEL-UHFFFAOYSA-N -1 0 329.381 3.500 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N(CC(=O)[O-])Cc3ccccc3)cc2c1C ZINC000347384144 600255224 /nfs/dbraw/zinc/25/52/24/600255224.db2.gz WQNQMQHJJJKEOC-UHFFFAOYSA-N -1 0 336.391 3.512 20 0 EHADRM Cc1cc(NC(=O)CSc2ccc(C(C)C)cc2)c(C(=O)[O-])[nH]1 ZINC000738432166 600256969 /nfs/dbraw/zinc/25/69/69/600256969.db2.gz YCCCLKYMCOKVSV-UHFFFAOYSA-N -1 0 332.425 3.876 20 0 EHADRM CCCc1sc(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1CC ZINC000262497098 600266537 /nfs/dbraw/zinc/26/65/37/600266537.db2.gz XNNPAZMHOACGGI-CYBMUJFWSA-N -1 0 335.469 3.590 20 0 EHADRM C[C@]12CC3CC(C(=O)N4CCC5(C[C@@H]5C(=O)[O-])CC4)(C1)C[C@@](C)(C3)C2 ZINC000262076216 600267001 /nfs/dbraw/zinc/26/70/01/600267001.db2.gz GHQMYURHCSLROE-LMSQQFLUSA-N -1 0 345.483 3.696 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)s1 ZINC000630292414 600274634 /nfs/dbraw/zinc/27/46/34/600274634.db2.gz ZTCYZWFGMKELMS-LLVKDONJSA-N -1 0 335.812 3.729 20 0 EHADRM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000736758600 600275167 /nfs/dbraw/zinc/27/51/67/600275167.db2.gz DYFVUFWIBVJHGF-IUODEOHRSA-N -1 0 342.370 3.934 20 0 EHADRM CCc1ccc(CCNC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000737260251 600275294 /nfs/dbraw/zinc/27/52/94/600275294.db2.gz HJYHDYWASNKSBU-UHFFFAOYSA-N -1 0 348.349 3.590 20 0 EHADRM Cc1c(NC(=O)NC(C)(C)c2cccc(F)c2)cccc1C(=O)[O-] ZINC000738304685 600275579 /nfs/dbraw/zinc/27/55/79/600275579.db2.gz RWDAQNDHSQOQRY-UHFFFAOYSA-N -1 0 330.359 3.889 20 0 EHADRM COC(=O)c1ccccc1CSc1nc2ccc(C(=O)[O-])cc2o1 ZINC000737712200 600278491 /nfs/dbraw/zinc/27/84/91/600278491.db2.gz LHOFPZRDYIPHJC-UHFFFAOYSA-N -1 0 343.360 3.605 20 0 EHADRM O=C([O-])c1ccc2nc(SCc3noc4c3CCCC4)oc2c1 ZINC000740212874 600278880 /nfs/dbraw/zinc/27/88/80/600278880.db2.gz UUCMMACKXHHLCV-UHFFFAOYSA-N -1 0 330.365 3.685 20 0 EHADRM CCCC[C@@H](CC)CNC(=S)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736981238 600279276 /nfs/dbraw/zinc/27/92/76/600279276.db2.gz FRXJIQUFXVQZFW-CYBMUJFWSA-N -1 0 337.489 3.957 20 0 EHADRM O=C([O-])NCc1ccc(NC(=S)Nc2cccc(Cl)c2)cc1 ZINC000739992550 600279695 /nfs/dbraw/zinc/27/96/95/600279695.db2.gz OQKNMGGXIRCBBP-UHFFFAOYSA-N -1 0 335.816 3.917 20 0 EHADRM C[C@H](CCc1ccco1)NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000322623095 600280206 /nfs/dbraw/zinc/28/02/06/600280206.db2.gz SLRFMWNEGCQWJA-SNVBAGLBSA-N -1 0 336.775 3.774 20 0 EHADRM CC[C@@H]1CCCN(C(=O)c2ccccc2S[C@H](C)C(=O)[O-])CC1 ZINC000262060200 600281331 /nfs/dbraw/zinc/28/13/31/600281331.db2.gz CZMRDLIFTYPFJW-ZIAGYGMSSA-N -1 0 335.469 3.904 20 0 EHADRM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cc1 ZINC000738637620 600282987 /nfs/dbraw/zinc/28/29/87/600282987.db2.gz KHWBHJDELDIFBK-CQSZACIVSA-N -1 0 342.395 3.511 20 0 EHADRM C[C@@H](COc1ccccc1)NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000736617774 600283205 /nfs/dbraw/zinc/28/32/05/600283205.db2.gz WROHHDMBKHSAHC-NSHDSACASA-N -1 0 348.786 3.627 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000736548407 600294637 /nfs/dbraw/zinc/29/46/37/600294637.db2.gz MBXZWZFYULKDQG-LBPRGKRZSA-N -1 0 330.359 3.726 20 0 EHADRM C[C@@]1(C(=O)Nc2ccc(CNC(=O)[O-])cc2)CCCc2ccccc21 ZINC000736727092 600296183 /nfs/dbraw/zinc/29/61/83/600296183.db2.gz CFJNTIWNKWAVSA-HXUWFJFHSA-N -1 0 338.407 3.687 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)CCc2ccc(Cl)s2)cc1 ZINC000739985374 600296650 /nfs/dbraw/zinc/29/66/50/600296650.db2.gz KASGOECFJBSRHQ-UHFFFAOYSA-N -1 0 338.816 3.740 20 0 EHADRM Cc1ccc2[nH]c(C(=O)Nc3ccc(CN(C)C(=O)[O-])cc3)cc2c1 ZINC000738667898 600304927 /nfs/dbraw/zinc/30/49/27/600304927.db2.gz WIQSAYOFLSRJRF-UHFFFAOYSA-N -1 0 337.379 3.838 20 0 EHADRM Cn1c2ccccc2nc1[C@H]1CCCCN1Cc1ccoc1C(=O)[O-] ZINC000739012369 600314759 /nfs/dbraw/zinc/31/47/59/600314759.db2.gz AHHVBVMBVNECMH-MRXNPFEDSA-N -1 0 339.395 3.592 20 0 EHADRM O=C([O-])[C@@H](OC(=O)CCC(=O)c1ccccc1)c1cccc(Cl)c1 ZINC000739227023 600320408 /nfs/dbraw/zinc/32/04/08/600320408.db2.gz ZKOMJOUFIRQRCD-KRWDZBQOSA-N -1 0 346.766 3.672 20 0 EHADRM Cc1cccc(C)c1OCC(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000738689575 600321192 /nfs/dbraw/zinc/32/11/92/600321192.db2.gz NCLQOMNVAPTNQN-KRWDZBQOSA-N -1 0 348.782 3.705 20 0 EHADRM COc1ccc(C)cc1CC(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737974986 600322186 /nfs/dbraw/zinc/32/21/86/600322186.db2.gz AVRCYZXJEUECTK-KRWDZBQOSA-N -1 0 348.782 3.569 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cc2cc(F)ccc2[nH]1)c1cccc(Cl)c1 ZINC000740289064 600323799 /nfs/dbraw/zinc/32/37/99/600323799.db2.gz CNMBFVVNGFWYBH-HNNXBMFYSA-N -1 0 347.729 3.943 20 0 EHADRM COc1cccc2cc(CNc3ccc(CNC(=O)[O-])cc3)oc21 ZINC000738113645 600328947 /nfs/dbraw/zinc/32/89/47/600328947.db2.gz HSQRPSRIAAAZPI-UHFFFAOYSA-N -1 0 326.352 3.821 20 0 EHADRM CC[C@H](Nc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000736925042 600330788 /nfs/dbraw/zinc/33/07/88/600330788.db2.gz PTSHOMJVJXRGDZ-HOTGVXAUSA-N -1 0 347.798 3.900 20 0 EHADRM O=C([O-])[C@H]1CC12CCN(C(=O)Nc1cc(Cl)cc(Cl)c1)CC2 ZINC000405466255 600333494 /nfs/dbraw/zinc/33/34/94/600333494.db2.gz BUPRHFMLXRIIEP-GFCCVEGCSA-N -1 0 343.210 3.712 20 0 EHADRM CN(C)c1ccccc1NC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000737479848 600335309 /nfs/dbraw/zinc/33/53/09/600335309.db2.gz ADRBPWQJXYKHNN-UHFFFAOYSA-N -1 0 342.399 3.506 20 0 EHADRM CC(C)c1ccc([C@H](C)NC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000736511756 600340838 /nfs/dbraw/zinc/34/08/38/600340838.db2.gz CRFBARFSGXFIFS-YOEHRIQHSA-N -1 0 344.455 3.767 20 0 EHADRM CN(Cc1ccc(NC(=O)N2CCC[C@H]2C2CCCC2)cc1)C(=O)[O-] ZINC000737483010 600343391 /nfs/dbraw/zinc/34/33/91/600343391.db2.gz PHCPEYHEQBWZHQ-KRWDZBQOSA-N -1 0 345.443 3.983 20 0 EHADRM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736823909 600348266 /nfs/dbraw/zinc/34/82/66/600348266.db2.gz FXUFUDAACGXYMQ-SJKOYZFVSA-N -1 0 339.395 3.509 20 0 EHADRM O=C([O-])CCc1nc(CSCc2cccc(C(F)(F)F)c2)no1 ZINC000739770864 600351031 /nfs/dbraw/zinc/35/10/31/600351031.db2.gz ARWNWFJGIQVJSU-UHFFFAOYSA-N -1 0 346.330 3.539 20 0 EHADRM Cc1cccc2c1CC[C@H]2NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000738747515 600356971 /nfs/dbraw/zinc/35/69/71/600356971.db2.gz INHOPUXRAWYJQH-QGZVFWFLSA-N -1 0 339.395 3.572 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000738551482 600357035 /nfs/dbraw/zinc/35/70/35/600357035.db2.gz KFQJCYGLGNJUDT-CYBMUJFWSA-N -1 0 327.384 3.645 20 0 EHADRM Cc1cccc2c1CC[C@@H]2NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000738747514 600357235 /nfs/dbraw/zinc/35/72/35/600357235.db2.gz INHOPUXRAWYJQH-KRWDZBQOSA-N -1 0 339.395 3.572 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)Nc2nc(C)c(C(=O)[O-])s2)cc1 ZINC000737257427 600368209 /nfs/dbraw/zinc/36/82/09/600368209.db2.gz OQYJHZBJNPWGRA-JTQLQIEISA-N -1 0 332.425 3.844 20 0 EHADRM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2cc(C)c(C(=O)[O-])s2)c1 ZINC000738097577 600368341 /nfs/dbraw/zinc/36/83/41/600368341.db2.gz UWOGLCYVZCJUDF-OLZOCXBDSA-N -1 0 331.393 3.506 20 0 EHADRM Cc1cc(NC(=O)COc2cccc(Cl)c2C)sc1C(=O)[O-] ZINC000738429894 600370049 /nfs/dbraw/zinc/37/00/49/600370049.db2.gz NYXXVGMXGMIUCJ-UHFFFAOYSA-N -1 0 339.800 3.734 20 0 EHADRM Cc1cc(NC(=O)c2coc(-c3ccccc3)n2)sc1C(=O)[O-] ZINC000738238696 600371671 /nfs/dbraw/zinc/37/16/71/600371671.db2.gz AKZLVTCUGJSBLF-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM Cc1cc(NC(=O)COc2ccc(F)c(Cl)c2)sc1C(=O)[O-] ZINC000738429643 600372989 /nfs/dbraw/zinc/37/29/89/600372989.db2.gz FUYFWDFZWDXAFR-UHFFFAOYSA-N -1 0 343.763 3.565 20 0 EHADRM CCC[C@@](C)(NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000236955243 600374888 /nfs/dbraw/zinc/37/48/88/600374888.db2.gz JOQLWJWAPRFPNY-MEDUHNTESA-N -1 0 345.361 3.959 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)c1coc(-c2ccccc2)n1 ZINC000739474664 600375198 /nfs/dbraw/zinc/37/51/98/600375198.db2.gz ZVWNLJHXLRVACK-UHFFFAOYSA-N -1 0 342.738 3.946 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)CC/C=C\c1ccccc1 ZINC000485908213 600375586 /nfs/dbraw/zinc/37/55/86/600375586.db2.gz OQAKWMQTHVPXAX-UITAMQMPSA-N -1 0 339.391 3.891 20 0 EHADRM CC[C@](C)(NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000262508663 600376634 /nfs/dbraw/zinc/37/66/34/600376634.db2.gz ZVXZOUPCFTXXBK-BONVTDFDSA-N -1 0 331.334 3.569 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(OCCCC(=O)[O-])cc1)c1cccs1 ZINC000237493100 600378977 /nfs/dbraw/zinc/37/89/77/600378977.db2.gz GOKMYXSHLIOHDX-GFCCVEGCSA-N -1 0 333.409 3.734 20 0 EHADRM CSCc1nnc(S[C@@H](C(=O)[O-])c2cccc(Cl)c2)o1 ZINC000738195470 600379157 /nfs/dbraw/zinc/37/91/57/600379157.db2.gz JLIFOSNQZHPZFE-SNVBAGLBSA-N -1 0 330.818 3.504 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@H](C)Oc1cccc(C)c1)c1ccccc1 ZINC000736850634 600379357 /nfs/dbraw/zinc/37/93/57/600379357.db2.gz XNCIXXLIJQPNAS-YJBOKZPZSA-N -1 0 341.407 3.659 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)COc1ccc(C)cc1C)c1ccccc1 ZINC000736851093 600380113 /nfs/dbraw/zinc/38/01/13/600380113.db2.gz FOYWBGLZASRNMZ-KRWDZBQOSA-N -1 0 341.407 3.579 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)s1 ZINC000238037288 600380404 /nfs/dbraw/zinc/38/04/04/600380404.db2.gz DDOVJVNLASYRPG-KGLIPLIRSA-N -1 0 329.421 3.588 20 0 EHADRM CC(C)(NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000736324321 600382236 /nfs/dbraw/zinc/38/22/36/600382236.db2.gz JSGCFHYDPKCQDR-UHFFFAOYSA-N -1 0 334.322 3.720 20 0 EHADRM CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000737106996 600382293 /nfs/dbraw/zinc/38/22/93/600382293.db2.gz ZSSVOCWJXMLGLE-UHFFFAOYSA-N -1 0 346.358 3.587 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)/C=C\C1CCCCC1)C(=O)[O-] ZINC000736585040 600382421 /nfs/dbraw/zinc/38/24/21/600382421.db2.gz RJNWZSDPLMLYEN-AHKFDXCISA-N -1 0 329.440 3.872 20 0 EHADRM CC(=CC(=O)NCCc1ccc(NC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000736120084 600382969 /nfs/dbraw/zinc/38/29/69/600382969.db2.gz FDLCTTBVWSHCDI-OUKQBFOZSA-N -1 0 342.370 3.678 20 0 EHADRM Cc1ccccc1[C@H]1CCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000738767860 600383457 /nfs/dbraw/zinc/38/34/57/600383457.db2.gz HYRXGKSIYFJVQA-ZDUSSCGKSA-N -1 0 342.370 3.854 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1csc(C(C)C)n1)c1ccccc1 ZINC000736851310 600384214 /nfs/dbraw/zinc/38/42/14/600384214.db2.gz OTAVKDQXKDRVIV-CQSZACIVSA-N -1 0 332.425 3.777 20 0 EHADRM C[C@H](CC(=O)NC(C)(C)CCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000237588878 600384550 /nfs/dbraw/zinc/38/45/50/600384550.db2.gz XEGHODVVOUAXBK-LLVKDONJSA-N -1 0 345.361 3.959 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)c2cc3cc(F)ccc3o2)cc1 ZINC000739992217 600389610 /nfs/dbraw/zinc/38/96/10/600389610.db2.gz QBPSYUJGOWBTBC-UHFFFAOYSA-N -1 0 328.299 3.592 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)NC[C@H]2CCc3ccccc32)ccc1F ZINC000740007129 600393973 /nfs/dbraw/zinc/39/39/73/600393973.db2.gz HXHHGGJUXFVXTL-GFCCVEGCSA-N -1 0 343.358 3.767 20 0 EHADRM CCc1ccc([C@@H]2CCCN2c2nc(Cl)c(C(=O)[O-])s2)o1 ZINC000737258507 600397038 /nfs/dbraw/zinc/39/70/38/600397038.db2.gz GIJQWCMTJKTZHU-VIFPVBQESA-N -1 0 326.805 3.992 20 0 EHADRM COc1ccc(CN(C)C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1C ZINC000737996554 600397271 /nfs/dbraw/zinc/39/72/71/600397271.db2.gz ZFVLNQPQDFAMCH-UHFFFAOYSA-N -1 0 346.358 3.505 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NC[C@H]2CCCc3ccccc32)c(F)c1 ZINC000739415229 600399590 /nfs/dbraw/zinc/39/95/90/600399590.db2.gz OZALGOJUEKGBDS-CQSZACIVSA-N -1 0 342.370 3.766 20 0 EHADRM C[C@H]1CCC[C@H](NC(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC000736777030 600405750 /nfs/dbraw/zinc/40/57/50/600405750.db2.gz UQEOTDXTBCDFEL-ONGXEEELSA-N -1 0 342.342 3.686 20 0 EHADRM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)c2ccc(C(=O)[O-])cn2)cc1 ZINC000192969392 600415255 /nfs/dbraw/zinc/41/52/55/600415255.db2.gz LMVBXNDBVSAHJM-KDOFPFPSSA-N -1 0 338.407 3.702 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC(C)(C)CCC(=O)[O-] ZINC000050195621 600416210 /nfs/dbraw/zinc/41/62/10/600416210.db2.gz HWZYRXLSBNBHEZ-SNVBAGLBSA-N -1 0 329.849 3.580 20 0 EHADRM C[C@@H](Cc1ccccc1)C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000139252430 600426864 /nfs/dbraw/zinc/42/68/64/600426864.db2.gz VJAZQDAQFLAJEA-MAUKXSAKSA-N -1 0 325.408 3.588 20 0 EHADRM CCOC(=O)N(C)c1ccc(N[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000737145488 600427524 /nfs/dbraw/zinc/42/75/24/600427524.db2.gz YIJNMCSGCPCZLU-MRXNPFEDSA-N -1 0 328.368 3.517 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)C[C@H]1CCc2ccccc2C1 ZINC000739223865 600427627 /nfs/dbraw/zinc/42/76/27/600427627.db2.gz VSJBNGONMLHXDL-LBPRGKRZSA-N -1 0 327.355 3.658 20 0 EHADRM Cc1csc(C2(N[C@@H](C(=O)[O-])c3cccc(Cl)c3)CCC2)n1 ZINC000738816856 600432056 /nfs/dbraw/zinc/43/20/56/600432056.db2.gz PXNVGDYUPUMXEW-CYBMUJFWSA-N -1 0 336.844 3.900 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(NCCCc3nccs3)c12 ZINC000649387973 600435354 /nfs/dbraw/zinc/43/53/54/600435354.db2.gz ZSFABPJHEGEEFA-UHFFFAOYSA-N -1 0 348.453 3.508 20 0 EHADRM O=C([O-])[C@@H](OC(=O)/C=C/c1ccc(Cl)s1)c1ccc(F)cc1 ZINC000739213981 600446831 /nfs/dbraw/zinc/44/68/31/600446831.db2.gz BACIZOMCVMMRIV-OWNNVSBGSA-N -1 0 340.759 3.923 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cc(Cl)ccc1F)c1ccc(F)cc1 ZINC000740288540 600446838 /nfs/dbraw/zinc/44/68/38/600446838.db2.gz BVFZFXLELFKARL-CYBMUJFWSA-N -1 0 326.682 3.601 20 0 EHADRM O=C([O-])[C@@H](OC(=O)Cc1ccc2ccccc2c1)c1ccc(F)cc1 ZINC000739345643 600447584 /nfs/dbraw/zinc/44/75/84/600447584.db2.gz KKACECKNJREWMH-IBGZPJMESA-N -1 0 338.334 3.891 20 0 EHADRM CC(C)OCc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000736486091 600448125 /nfs/dbraw/zinc/44/81/25/600448125.db2.gz NFAWBEFOFYBLEX-KRWDZBQOSA-N -1 0 346.354 3.733 20 0 EHADRM Cc1ccccc1COc1cccc(NC(=O)CCCNC(=O)[O-])c1 ZINC000738773376 600449416 /nfs/dbraw/zinc/44/94/16/600449416.db2.gz VJQMAOWKFTVZTQ-UHFFFAOYSA-N -1 0 342.395 3.560 20 0 EHADRM Cc1ccc2oc(C(=O)O[C@H](C(=O)[O-])c3ccc(F)cc3)cc2c1 ZINC000738679828 600452958 /nfs/dbraw/zinc/45/29/58/600452958.db2.gz BODMWSBLZFLCRA-INIZCTEOSA-N -1 0 328.295 3.863 20 0 EHADRM CC[C@H](c1ccncc1)N(C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000736930000 600454973 /nfs/dbraw/zinc/45/49/73/600454973.db2.gz SLQDDWLEGHLNNM-MRXNPFEDSA-N -1 0 327.384 3.703 20 0 EHADRM C[C@H]1CCCC[C@H]1CCNC(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000736780148 600455338 /nfs/dbraw/zinc/45/53/38/600455338.db2.gz KOSXNFVNOSOMHY-GJZGRUSLSA-N -1 0 348.443 3.878 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)C[C@@H]1CCOc2ccccc21 ZINC000739223658 600457928 /nfs/dbraw/zinc/45/79/28/600457928.db2.gz RPMCFCHJVUQUQQ-LBPRGKRZSA-N -1 0 344.338 3.524 20 0 EHADRM CCc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(C(=O)[O-])cc2)o1 ZINC000737259337 600462324 /nfs/dbraw/zinc/46/23/24/600462324.db2.gz OXBFYQGNZAULPJ-HNNXBMFYSA-N -1 0 328.368 3.909 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NC2(c3ccc(Cl)cc3)CC2)cc1 ZINC000738512908 600468893 /nfs/dbraw/zinc/46/88/93/600468893.db2.gz YXCRPFGLUCYVAN-UHFFFAOYSA-N -1 0 330.771 3.849 20 0 EHADRM C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000736836598 600474984 /nfs/dbraw/zinc/47/49/84/600474984.db2.gz JKHKZXIACFUXDO-NSHDSACASA-N -1 0 328.343 3.675 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)c2ccccc2OC2CCC2)c1 ZINC000740041471 600475509 /nfs/dbraw/zinc/47/55/09/600475509.db2.gz PNISLGYAXNTHIB-UHFFFAOYSA-N -1 0 326.352 3.960 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CCC3(CCCC3)CC2)c(F)cc1F ZINC000392194197 600475658 /nfs/dbraw/zinc/47/56/58/600475658.db2.gz WPULMNDKSHMWJB-UHFFFAOYSA-N -1 0 338.354 3.851 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)o1 ZINC000345907512 600477439 /nfs/dbraw/zinc/47/74/39/600477439.db2.gz OSFAXASIJKBCFG-DLBZAZTESA-N -1 0 335.359 3.551 20 0 EHADRM C[C@@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000736840542 600479025 /nfs/dbraw/zinc/47/90/25/600479025.db2.gz NZWLXIGSDLJEFW-GFCCVEGCSA-N -1 0 342.370 3.604 20 0 EHADRM CC(=O)Nc1cc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)ccc1C ZINC000236763333 600479057 /nfs/dbraw/zinc/47/90/57/600479057.db2.gz LTUKWTJQRZEVQZ-UHFFFAOYSA-N -1 0 346.770 3.557 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000736903420 600479275 /nfs/dbraw/zinc/47/92/75/600479275.db2.gz IZZHWKMEAFOVQO-KRWDZBQOSA-N -1 0 325.408 3.911 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCOCc2ccccc2)cc1Cl ZINC000362401958 600479886 /nfs/dbraw/zinc/47/98/86/600479886.db2.gz JYEMIUUZFUEYQN-UHFFFAOYSA-N -1 0 333.771 3.584 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1)c1nccs1 ZINC000736913571 600481038 /nfs/dbraw/zinc/48/10/38/600481038.db2.gz CWGQCRBPJCXWIR-JTQLQIEISA-N -1 0 338.364 3.645 20 0 EHADRM Cc1ccc(C)c(CC(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c1 ZINC000237645856 600481206 /nfs/dbraw/zinc/48/12/06/600481206.db2.gz QOYRNSIUTZUDMW-UHFFFAOYSA-N -1 0 341.407 3.728 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)cc1C ZINC000237624266 600481431 /nfs/dbraw/zinc/48/14/31/600481431.db2.gz RNHLDERAIKDMHW-UHFFFAOYSA-N -1 0 327.380 3.799 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)/C=C/c2ccccc2F)cc1 ZINC000739686601 600482260 /nfs/dbraw/zinc/48/22/60/600482260.db2.gz NWRAYJBDZKCTDK-KPKJPENVSA-N -1 0 343.354 3.721 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1cccc(Nc2ccccc2)c1 ZINC000262885046 600485587 /nfs/dbraw/zinc/48/55/87/600485587.db2.gz MIZZHIZMMIDJAQ-UHFFFAOYSA-N -1 0 326.396 3.803 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCOc2ccccc2F)cc1Cl ZINC000238111056 600487352 /nfs/dbraw/zinc/48/73/52/600487352.db2.gz UQZJDUOQPZGKJB-UHFFFAOYSA-N -1 0 337.734 3.585 20 0 EHADRM CCn1c(C)cc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c1C ZINC000237207944 600495488 /nfs/dbraw/zinc/49/54/88/600495488.db2.gz UQZQYTQZZCGTHM-UHFFFAOYSA-N -1 0 344.411 3.621 20 0 EHADRM Cc1ccc2oc(NC[C@@H](Cc3cccc(F)c3)C(=O)[O-])nc2c1 ZINC000738681134 600503422 /nfs/dbraw/zinc/50/34/22/600503422.db2.gz UESWPLHDFVFLKE-CYBMUJFWSA-N -1 0 328.343 3.631 20 0 EHADRM CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000736250938 600505630 /nfs/dbraw/zinc/50/56/30/600505630.db2.gz MWCUIXNOWBQRQE-IUODEOHRSA-N -1 0 349.431 3.739 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H]2C[C@H]2c2cccc(F)c2)cc1Cl ZINC000739464625 600509066 /nfs/dbraw/zinc/50/90/66/600509066.db2.gz HHGKIQMCOPDNFV-ZFWWWQNUSA-N -1 0 348.761 3.855 20 0 EHADRM COCc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000737834078 600511315 /nfs/dbraw/zinc/51/13/15/600511315.db2.gz ISNWIXSAXDHXEY-UHFFFAOYSA-N -1 0 348.786 3.506 20 0 EHADRM CCN(C(=O)Cn1c(C)cc2ccccc21)c1ccccc1C(=O)[O-] ZINC000737060321 600523605 /nfs/dbraw/zinc/52/36/05/600523605.db2.gz QREJQFUPAPOJHO-UHFFFAOYSA-N -1 0 336.391 3.701 20 0 EHADRM CS[C@@H](C(=O)Nc1ccc(OCC(=O)[O-])cc1C)c1ccccc1 ZINC000738182181 600524690 /nfs/dbraw/zinc/52/46/90/600524690.db2.gz RBJIJRYWENJPOO-QGZVFWFLSA-N -1 0 345.420 3.501 20 0 EHADRM CC(C)(C)C(=O)c1ccsc1NC(=O)c1cccc(C(=O)[O-])c1 ZINC000736242758 600526840 /nfs/dbraw/zinc/52/68/40/600526840.db2.gz WWMAEGMWLQLUPJ-UHFFFAOYSA-N -1 0 331.393 3.927 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@@H](C)c1cccc(C)c1)c1ccccc1 ZINC000736850124 600527099 /nfs/dbraw/zinc/52/70/99/600527099.db2.gz STQHUPIKTWFQGL-MAUKXSAKSA-N -1 0 325.408 3.995 20 0 EHADRM CCCOc1cccc(C(=O)N(CC)c2ccccc2C(=O)[O-])c1 ZINC000737035225 600531752 /nfs/dbraw/zinc/53/17/52/600531752.db2.gz ZZWKJYRZMGWHJM-UHFFFAOYSA-N -1 0 327.380 3.840 20 0 EHADRM CCN(C(=O)Cc1csc(C(C)(C)C)n1)c1ccccc1C(=O)[O-] ZINC000737059472 600532521 /nfs/dbraw/zinc/53/25/21/600532521.db2.gz FUDXSGGPHRNDFW-UHFFFAOYSA-N -1 0 346.452 3.734 20 0 EHADRM C[C@@H]1CCC[C@H](OCC(=O)Oc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000736777942 600533156 /nfs/dbraw/zinc/53/31/56/600533156.db2.gz DXRVKAJBLHBEIF-PWSUYJOCSA-N -1 0 326.776 3.539 20 0 EHADRM CSc1ccc(N(C)C(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000738214218 600535098 /nfs/dbraw/zinc/53/50/98/600535098.db2.gz ROMJLSZHCWEIAV-UHFFFAOYSA-N -1 0 329.421 3.702 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000236625077 600541571 /nfs/dbraw/zinc/54/15/71/600541571.db2.gz GWTSFFLCCHBUEW-UHFFFAOYSA-N -1 0 328.324 3.669 20 0 EHADRM CC(C)[C@H](c1ccccc1)N(C)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263493827 600547822 /nfs/dbraw/zinc/54/78/22/600547822.db2.gz SDJLOAKDJNRPJZ-OFLPRAFFSA-N -1 0 332.444 3.669 20 0 EHADRM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Oc1ccccc1C(=O)[O-] ZINC000736703662 600549981 /nfs/dbraw/zinc/54/99/81/600549981.db2.gz WKSZHQHECKBSOA-SECBINFHSA-N -1 0 338.718 3.550 20 0 EHADRM C[C@H](Oc1ccc(F)cc1Cl)C(=O)Oc1cccc(C(=O)[O-])c1 ZINC000736703183 600550776 /nfs/dbraw/zinc/55/07/76/600550776.db2.gz OUXNRMNNUXDJKL-VIFPVBQESA-N -1 0 338.718 3.550 20 0 EHADRM C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000736703025 600551760 /nfs/dbraw/zinc/55/17/60/600551760.db2.gz JWTIDUGHYFVFRQ-ZETCQYMHSA-N -1 0 343.763 3.645 20 0 EHADRM CC(C)(C)c1ccc2cc(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)[nH]c2c1 ZINC000736298857 600553323 /nfs/dbraw/zinc/55/33/23/600553323.db2.gz GHISJRBLSDGJOU-OAHLLOKOSA-N -1 0 330.428 3.695 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000263356406 600554384 /nfs/dbraw/zinc/55/43/84/600554384.db2.gz XCYHORYEDKLQMK-INIZCTEOSA-N -1 0 349.427 3.848 20 0 EHADRM CC(C)n1ccc(C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])n1 ZINC000736532265 600557337 /nfs/dbraw/zinc/55/73/37/600557337.db2.gz FWXVXNDGBMPQAP-UHFFFAOYSA-N -1 0 335.429 3.774 20 0 EHADRM Cc1c2ccccc2oc1COC(=O)c1cccc(OCC(=O)[O-])c1 ZINC000738288515 600567015 /nfs/dbraw/zinc/56/70/15/600567015.db2.gz FOXXPLJEBJIGKY-UHFFFAOYSA-N -1 0 340.331 3.562 20 0 EHADRM Cc1cc(NC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c(C(=O)[O-])[nH]1 ZINC000738436980 600568978 /nfs/dbraw/zinc/56/89/78/600568978.db2.gz AFAOVMWIIDJOCD-NSHDSACASA-N -1 0 341.367 3.992 20 0 EHADRM CCOc1ccccc1[C@H](C)NC(=O)c1ccccc1NC(=O)[O-] ZINC000737213815 600569633 /nfs/dbraw/zinc/56/96/33/600569633.db2.gz YMUYGSNQOYJGDE-LBPRGKRZSA-N -1 0 328.368 3.666 20 0 EHADRM CCc1[nH]c(C(=O)N2C[C@@H](c3ccccc3)C[C@@H]2C)c(C)c1C(=O)[O-] ZINC000737240780 600580097 /nfs/dbraw/zinc/58/00/97/600580097.db2.gz IJRNGNRGZJDXQD-WFASDCNBSA-N -1 0 340.423 3.602 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=S)NCc2cccs2)c1 ZINC000740072234 600583350 /nfs/dbraw/zinc/58/33/50/600583350.db2.gz JONLIVPPMKSHGE-UHFFFAOYSA-N -1 0 326.830 3.586 20 0 EHADRM C[C@@H](CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)c1cccnc1 ZINC000736548962 600583445 /nfs/dbraw/zinc/58/34/45/600583445.db2.gz GQCBHQOILQCUGR-NSHDSACASA-N -1 0 344.436 3.852 20 0 EHADRM C[C@H](CC(=O)[O-])S[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000736549350 600583497 /nfs/dbraw/zinc/58/34/97/600583497.db2.gz JTDPDJHSBIDSTR-KDOFPFPSSA-N -1 0 343.448 3.641 20 0 EHADRM Cc1sc2nc([C@H](C)S[C@@H](C)CC(=O)[O-])nc(N)c2c1C ZINC000738397477 600588903 /nfs/dbraw/zinc/58/89/03/600588903.db2.gz FLGPRWMWBBPQIM-RCOVLWMOSA-N -1 0 325.459 3.548 20 0 EHADRM C[C@@H](CC(=O)[O-])SCC[S@](=O)c1cc(Cl)ccc1Cl ZINC000736551176 600591775 /nfs/dbraw/zinc/59/17/75/600591775.db2.gz ARPQBWDRCZPPFZ-RLBGWGEZSA-N -1 0 341.281 3.697 20 0 EHADRM C[C@H](CN(C)C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000736568622 600595336 /nfs/dbraw/zinc/59/53/36/600595336.db2.gz GUGRCDAHTDSERC-JVBZPZKUSA-N -1 0 349.736 3.551 20 0 EHADRM CCCCOc1ccc(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000736999187 600596174 /nfs/dbraw/zinc/59/61/74/600596174.db2.gz MPLHOHHJMDCAMA-SFHVURJKSA-N -1 0 341.407 3.763 20 0 EHADRM CC(C)OCc1ccc(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000736485305 600596860 /nfs/dbraw/zinc/59/68/60/600596860.db2.gz YQBGUDIMMVXGNZ-SFHVURJKSA-N -1 0 341.407 3.510 20 0 EHADRM CC(C)(C)CC(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000262787347 600597579 /nfs/dbraw/zinc/59/75/79/600597579.db2.gz NWXHPGPJQHAUCS-MRXNPFEDSA-N -1 0 327.424 3.636 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1ccsc1)Cc1cccc2ccccc21 ZINC000362805244 600599297 /nfs/dbraw/zinc/59/92/97/600599297.db2.gz KQPJOTRTTSHVFK-INIZCTEOSA-N -1 0 339.416 3.575 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1ccsc1)Cc1cccc2ccccc21 ZINC000362805245 600599359 /nfs/dbraw/zinc/59/93/59/600599359.db2.gz KQPJOTRTTSHVFK-MRXNPFEDSA-N -1 0 339.416 3.575 20 0 EHADRM C[C@@H](CS[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000736620685 600599914 /nfs/dbraw/zinc/59/99/14/600599914.db2.gz YGGLUGIJOPTKEQ-JGVFFNPUSA-N -1 0 336.240 3.774 20 0 EHADRM Cc1cc(C)c(/C=C\C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)cc1C ZINC000738356067 600600299 /nfs/dbraw/zinc/60/02/99/600600299.db2.gz QJDKXMRTPMVOEU-PISNEZEASA-N -1 0 337.419 3.909 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1cccs1)Cc1cccc2ccccc21 ZINC000486366049 600601690 /nfs/dbraw/zinc/60/16/90/600601690.db2.gz BCCPWQPQRZDIAR-HNNXBMFYSA-N -1 0 339.416 3.575 20 0 EHADRM CCC/C(C)=C\C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000736958399 600602877 /nfs/dbraw/zinc/60/28/77/600602877.db2.gz BDJMMFHIOHBITI-HVEPWOEZSA-N -1 0 339.435 3.946 20 0 EHADRM CCOC(=O)c1c(C)c2ccccc2nc1CSC[C@H](C)C(=O)[O-] ZINC000737148391 600603196 /nfs/dbraw/zinc/60/31/96/600603196.db2.gz LTHXJBRULNHVQA-NSHDSACASA-N -1 0 347.436 3.674 20 0 EHADRM Cc1sc2[nH]c([C@H](C)SC[C@@H](C)C(=O)[O-])nc(=O)c2c1C ZINC000738995499 600603217 /nfs/dbraw/zinc/60/32/17/600603217.db2.gz CQRWZUURIVNTRC-MUWHJKNJSA-N -1 0 326.443 3.529 20 0 EHADRM Cc1ccc(-c2noc(CCCSC[C@H](C)C(=O)[O-])n2)cc1F ZINC000738494434 600605117 /nfs/dbraw/zinc/60/51/17/600605117.db2.gz KESNSHWOCWCRHB-NSHDSACASA-N -1 0 338.404 3.571 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc(-c2ccccc2F)o1)c1ccccc1 ZINC000156388484 600605513 /nfs/dbraw/zinc/60/55/13/600605513.db2.gz QUTDPQLHZYJVLY-UHFFFAOYSA-N -1 0 339.322 3.817 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1cccs1)Cc1ccc2ccccc2c1 ZINC000238191663 600606567 /nfs/dbraw/zinc/60/65/67/600606567.db2.gz IQOKOUVFMDWJQS-MRXNPFEDSA-N -1 0 339.416 3.575 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])s1)c1ccc(F)cc1Cl ZINC000237524241 600608073 /nfs/dbraw/zinc/60/80/73/600608073.db2.gz BNSNRYORRJAQAW-SSDOTTSWSA-N -1 0 327.764 3.730 20 0 EHADRM C[C@@](NC(=O)c1sc2cc(F)ccc2c1Cl)(C(=O)[O-])C1CC1 ZINC000386261481 600614581 /nfs/dbraw/zinc/61/45/81/600614581.db2.gz YPANXTLGMLMUNU-HNNXBMFYSA-N -1 0 341.791 3.677 20 0 EHADRM CS[C@@H](C(=O)OCc1ccc(F)cc1C(=O)[O-])c1ccccc1 ZINC000738181532 600621094 /nfs/dbraw/zinc/62/10/94/600621094.db2.gz LGRCDAMWLIHRTH-OAHLLOKOSA-N -1 0 334.368 3.671 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCC2(c3cccc(Cl)c3)CC2)cc1 ZINC000739408503 600624048 /nfs/dbraw/zinc/62/40/48/600624048.db2.gz ZMLOSKYTEFXKGQ-UHFFFAOYSA-N -1 0 344.798 3.892 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1OC(=O)[C@H]1COc2ccccc2C1 ZINC000740097573 600632930 /nfs/dbraw/zinc/63/29/30/600632930.db2.gz MCMMVLYJZZVNHT-MRXNPFEDSA-N -1 0 348.354 3.695 20 0 EHADRM Cc1cc(OCC(=O)Nc2ccc(C)cc2Cl)c(C(=O)[O-])s1 ZINC000315907083 600639219 /nfs/dbraw/zinc/63/92/19/600639219.db2.gz CWFIOCQAMHFEKG-UHFFFAOYSA-N -1 0 339.800 3.734 20 0 EHADRM Cc1cc(OCC(=O)N[C@H](C)c2ccc(C)c(C)c2)c(C(=O)[O-])s1 ZINC000738464259 600639976 /nfs/dbraw/zinc/63/99/76/600639976.db2.gz DXMUNEUYXKNGSW-CYBMUJFWSA-N -1 0 347.436 3.628 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N(Cc2ccc(F)cc2)CC2CC2)c1 ZINC000740228871 600642393 /nfs/dbraw/zinc/64/23/93/600642393.db2.gz RWURMRVXWZSWCE-UHFFFAOYSA-N -1 0 342.370 3.968 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N2CCSC[C@H]2c2ccccc2)c1 ZINC000740228467 600642466 /nfs/dbraw/zinc/64/24/66/600642466.db2.gz LDEURNNZCLUIIH-INIZCTEOSA-N -1 0 342.420 3.707 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)NCCc2ccc(C(=O)[O-])cc2)c1C ZINC000738691203 600643054 /nfs/dbraw/zinc/64/30/54/600643054.db2.gz NBUPFGICYIAVPW-HNNXBMFYSA-N -1 0 340.423 3.605 20 0 EHADRM CC(C)(C)[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000678979289 600643624 /nfs/dbraw/zinc/64/36/24/600643624.db2.gz RAQRPXZAYDABCE-IXDOHACOSA-N -1 0 325.408 3.559 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)cc1F)C(=O)[O-] ZINC000736244189 600643831 /nfs/dbraw/zinc/64/38/31/600643831.db2.gz SSAWLPINZKZWAB-MRXNPFEDSA-N -1 0 347.361 3.861 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N[C@@H](C(=O)[O-])C(C)(C)C ZINC000738550815 600645364 /nfs/dbraw/zinc/64/53/64/600645364.db2.gz JALLKLSTVUKTSK-BBRMVZONSA-N -1 0 335.444 3.501 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000827587002 600653303 /nfs/dbraw/zinc/65/33/03/600653303.db2.gz YJPNQEKXMITUKB-MEDUHNTESA-N -1 0 334.318 3.513 20 0 EHADRM Cc1ccccc1-c1cnc(COC(=O)c2ccccc2C(=O)[O-])o1 ZINC000832975630 600659483 /nfs/dbraw/zinc/65/94/83/600659483.db2.gz WXUVJRSVXDDSOU-UHFFFAOYSA-N -1 0 337.331 3.705 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2nc3c(s2)CCCCCC3)C1 ZINC000739573421 600660458 /nfs/dbraw/zinc/66/04/58/600660458.db2.gz BXMAABIRANJYHB-NWDGAFQWSA-N -1 0 336.457 3.632 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000236806241 600661257 /nfs/dbraw/zinc/66/12/57/600661257.db2.gz LQRUVDBVNZMFHP-IPMKNSEASA-N -1 0 337.419 3.856 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccc(Oc3ccncc3)cc2)C1 ZINC000191579260 600662166 /nfs/dbraw/zinc/66/21/66/600662166.db2.gz XLVSLNDQPUBZHY-UONOGXRCSA-N -1 0 340.379 3.703 20 0 EHADRM CCOc1ccc2nc(NC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)sc2c1 ZINC000391545613 600664845 /nfs/dbraw/zinc/66/48/45/600664845.db2.gz DGPJFOSICOAGSV-WDEREUQCSA-N -1 0 348.424 3.525 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000736562983 600671637 /nfs/dbraw/zinc/67/16/37/600671637.db2.gz ULAZRBIMTUTNSL-KDOFPFPSSA-N -1 0 343.398 3.679 20 0 EHADRM O=C([O-])c1cc(NCc2ccccc2OC(F)F)c(F)cc1F ZINC000320080472 600675569 /nfs/dbraw/zinc/67/55/69/600675569.db2.gz SWRNWHOVQUAKOS-UHFFFAOYSA-N -1 0 329.249 3.877 20 0 EHADRM O=C([O-])c1ccc(F)c(NCc2ccc(Br)s2)c1 ZINC000037088887 600675595 /nfs/dbraw/zinc/67/55/95/600675595.db2.gz CRRCAUAKQXDTAU-UHFFFAOYSA-N -1 0 330.178 3.960 20 0 EHADRM CC(C)C[C@@H](C(=O)Nc1nc(CC(=O)[O-])cs1)c1ccccc1 ZINC000736401252 600688578 /nfs/dbraw/zinc/68/85/78/600688578.db2.gz FJOROKIBLDJAFK-CQSZACIVSA-N -1 0 332.425 3.539 20 0 EHADRM O=C([O-])c1cccc(-c2noc(-c3cc(Cl)nc(Cl)c3)n2)c1 ZINC000833326738 600693472 /nfs/dbraw/zinc/69/34/72/600693472.db2.gz UPSPLSCKRWDDBP-UHFFFAOYSA-N -1 0 336.134 3.804 20 0 EHADRM CC(C)C[C@@H](C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccccc1 ZINC000736401269 600696276 /nfs/dbraw/zinc/69/62/76/600696276.db2.gz FRIUWEXWBGQYAQ-SJORKVTESA-N -1 0 329.440 3.530 20 0 EHADRM COc1ccc2cc(-c3nc(-c4cccc(C(=O)[O-])c4)no3)[nH]c2c1 ZINC000832504124 600700110 /nfs/dbraw/zinc/70/01/10/600700110.db2.gz BNWUDCIUTRSLSZ-UHFFFAOYSA-N -1 0 335.319 3.592 20 0 EHADRM O=C([O-])c1cccc(-c2noc(CCCOc3ccccc3F)n2)c1 ZINC000833327820 600700506 /nfs/dbraw/zinc/70/05/06/600700506.db2.gz HICGATXLFNRGCZ-UHFFFAOYSA-N -1 0 342.326 3.586 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(C(=O)[O-])s1)c1cc(F)ccc1F ZINC000236962852 600701041 /nfs/dbraw/zinc/70/10/41/600701041.db2.gz BUOHOSMDXWBNAR-LLVKDONJSA-N -1 0 325.336 3.606 20 0 EHADRM Cc1cccc(C)c1NCC(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000832966040 600701857 /nfs/dbraw/zinc/70/18/57/600701857.db2.gz YCMONCZIKDOZEB-QGZVFWFLSA-N -1 0 347.798 3.738 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)cc1 ZINC000262258309 600702212 /nfs/dbraw/zinc/70/22/12/600702212.db2.gz FVMWTDDKXZMBTG-WIYYLYMNSA-N -1 0 335.403 3.546 20 0 EHADRM CN(CC1CC1)c1cc(C(=O)[O-])nc2ccc(Br)cc21 ZINC000737409850 600707098 /nfs/dbraw/zinc/70/70/98/600707098.db2.gz LKQDCCKDTOYDAF-UHFFFAOYSA-N -1 0 335.201 3.542 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)NCCCCCC(=O)[O-])c1C ZINC000414608588 600722335 /nfs/dbraw/zinc/72/23/35/600722335.db2.gz KGPYYFOGJAIIPY-QGZVFWFLSA-N -1 0 332.444 3.795 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)NCCCCCC(=O)[O-])C1 ZINC000414607959 600722558 /nfs/dbraw/zinc/72/25/58/600722558.db2.gz IKYOUJJTDSFBSF-CJNGLKHVSA-N -1 0 336.407 3.563 20 0 EHADRM CCn1c(SC/C=C(/C)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000830415831 600725667 /nfs/dbraw/zinc/72/56/67/600725667.db2.gz BZOVCOCQQYWJAR-NTMALXAHSA-N -1 0 337.832 3.741 20 0 EHADRM CC(C)c1ccc([C@H]2C[C@H]2C(=O)OCc2occc2C(=O)[O-])cc1 ZINC000736512803 600734231 /nfs/dbraw/zinc/73/42/31/600734231.db2.gz NLNGKXPPXVVXDF-HZPDHXFCSA-N -1 0 328.364 3.948 20 0 EHADRM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)OCc2ccoc2C(=O)[O-])cc1 ZINC000736512632 600734369 /nfs/dbraw/zinc/73/43/69/600734369.db2.gz KLFLSRKMLXYAIV-CVEARBPZSA-N -1 0 328.364 3.948 20 0 EHADRM O=C([O-])c1occc1COC(=O)c1ccccc1Oc1ccccn1 ZINC000740297590 600735389 /nfs/dbraw/zinc/73/53/89/600735389.db2.gz SQCHRCSFNQBLOR-UHFFFAOYSA-N -1 0 339.303 3.522 20 0 EHADRM CCC(CC)[C@@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)c1cccs1 ZINC000262964995 600736267 /nfs/dbraw/zinc/73/62/67/600736267.db2.gz JKTSPRFDNFHDDC-DZGCQCFKSA-N -1 0 338.473 3.732 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cc(Oc2ccccc2)ccn1)c1ccccc1 ZINC000833349019 600741401 /nfs/dbraw/zinc/74/14/01/600741401.db2.gz ANRGTSVHVKNYEH-GOSISDBHSA-N -1 0 349.342 3.857 20 0 EHADRM Cc1ccc2c(CCC(=O)OCc3cccc(C(=O)[O-])c3)c[nH]c2c1 ZINC000832961084 600741656 /nfs/dbraw/zinc/74/16/56/600741656.db2.gz XWIGDRMGLJDQMP-UHFFFAOYSA-N -1 0 337.375 3.851 20 0 EHADRM C[C@H](CCOc1ccccc1)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000827422113 600742080 /nfs/dbraw/zinc/74/20/80/600742080.db2.gz LOMJJORPQHPOPQ-OLZOCXBDSA-N -1 0 332.352 3.687 20 0 EHADRM CC[C@H]1CCC[C@@H](NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000320943894 600742719 /nfs/dbraw/zinc/74/27/19/600742719.db2.gz IMMSZYXHPLEQAN-VHSXEESVSA-N -1 0 326.343 3.753 20 0 EHADRM O=C([O-])[C@@H](Nc1cccc(COCC2CC2)c1)c1ccccc1F ZINC000833169933 600744169 /nfs/dbraw/zinc/74/41/69/600744169.db2.gz MRADIYKWYVLSOJ-SFHVURJKSA-N -1 0 329.371 3.990 20 0 EHADRM Cc1sc(NC(=O)COc2cc(C)ccc2F)c(C(=O)[O-])c1C ZINC000738280620 600765212 /nfs/dbraw/zinc/76/52/12/600765212.db2.gz GQGZPMNBNDSYSQ-UHFFFAOYSA-N -1 0 337.372 3.528 20 0 EHADRM C[C@@H](NC(=O)NCCc1ccc(NC(=O)[O-])cc1)C1CCCCC1 ZINC000827664310 600773409 /nfs/dbraw/zinc/77/34/09/600773409.db2.gz FQSIYXULXDCKTE-CYBMUJFWSA-N -1 0 333.432 3.587 20 0 EHADRM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1)c1ccsc1 ZINC000776674800 600798298 /nfs/dbraw/zinc/79/82/98/600798298.db2.gz VJDMEXOZYIJTPH-QMTHXVAHSA-N -1 0 337.828 3.837 20 0 EHADRM CCOc1cccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000776675159 600799683 /nfs/dbraw/zinc/79/96/83/600799683.db2.gz QEXLZOKPBURKPN-MRXNPFEDSA-N -1 0 347.798 3.685 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000776673193 600803754 /nfs/dbraw/zinc/80/37/54/600803754.db2.gz MWWFCOHYILCTPA-CQSZACIVSA-N -1 0 338.190 3.939 20 0 EHADRM CCn1c(C)cc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)c1C ZINC000776675603 600804240 /nfs/dbraw/zinc/80/42/40/600804240.db2.gz UEKYARFDOCJMBF-MRXNPFEDSA-N -1 0 348.830 3.724 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCc1cccs1)c1cccc(Cl)c1 ZINC000776673670 600805371 /nfs/dbraw/zinc/80/53/71/600805371.db2.gz AFHYJODCYQEHJI-AWEZNQCLSA-N -1 0 337.828 3.666 20 0 EHADRM Cc1cc(COc2ccc(OCC(F)(F)F)cc2)oc1C(=O)[O-] ZINC000832885303 600805877 /nfs/dbraw/zinc/80/58/77/600805877.db2.gz QFDJQOGKACAANH-UHFFFAOYSA-N -1 0 330.258 3.806 20 0 EHADRM CSc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)o1 ZINC000776673403 600806627 /nfs/dbraw/zinc/80/66/27/600806627.db2.gz DODRDYMXDUOELQ-LLVKDONJSA-N -1 0 339.800 3.601 20 0 EHADRM Cc1ccc(OCc2csc(-c3cccc(C(=O)[O-])c3)n2)nc1 ZINC000832951028 600807260 /nfs/dbraw/zinc/80/72/60/600807260.db2.gz FIIHQBFVCCAMOK-UHFFFAOYSA-N -1 0 326.377 3.791 20 0 EHADRM CCC(=CC(=O)Nc1cc(C(=O)[O-])c[nH]c1=O)c1cccc(Cl)c1 ZINC000828550228 600817914 /nfs/dbraw/zinc/81/79/14/600817914.db2.gz SVKFKYFSBCLXPG-CSKARUKUSA-N -1 0 346.770 3.571 20 0 EHADRM Cc1ccc(O[C@H](C)CNc2nc(Cl)c(C(=O)[O-])s2)cc1 ZINC000832950991 600822039 /nfs/dbraw/zinc/82/20/39/600822039.db2.gz PWEFTOIYAXCXJF-SECBINFHSA-N -1 0 326.805 3.683 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NCCSc2ccccc2)s1 ZINC000833320229 600826471 /nfs/dbraw/zinc/82/64/71/600826471.db2.gz NSTWNTZBQYUVFV-UHFFFAOYSA-N -1 0 338.479 3.525 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NCc1ncc(-c2cccs2)o1 ZINC000832900546 600826485 /nfs/dbraw/zinc/82/64/85/600826485.db2.gz FCFWDCJIDOYWBW-UHFFFAOYSA-N -1 0 344.392 3.787 20 0 EHADRM C[C@H]1CCC[C@H](C(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)C1 ZINC000736774477 600827484 /nfs/dbraw/zinc/82/74/84/600827484.db2.gz ILRZBMQBOSOTDE-UWVGGRQHSA-N -1 0 333.413 3.601 20 0 EHADRM CCSCC[C@H](C)Nc1nc(C)nc2sc(C(=O)[O-])c(C)c21 ZINC000830164337 600827913 /nfs/dbraw/zinc/82/79/13/600827913.db2.gz UFHKYMIEWABOIA-QMMMGPOBSA-N -1 0 339.486 3.950 20 0 EHADRM CCN(Cc1csc(-c2cccc(C(=O)[O-])c2)n1)CC(F)(F)F ZINC000566567690 600829185 /nfs/dbraw/zinc/82/91/85/600829185.db2.gz UPIQYXGGXNGDMS-UHFFFAOYSA-N -1 0 344.358 3.893 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)ccc1F ZINC000740082086 600829925 /nfs/dbraw/zinc/82/99/25/600829925.db2.gz UQTBDPQAZRUIMJ-MNOVXSKESA-N -1 0 335.281 3.544 20 0 EHADRM CCn1c(S[C@H](C(=O)[O-])c2ccccc2F)nnc1-c1ccco1 ZINC000830416255 600832128 /nfs/dbraw/zinc/83/21/28/600832128.db2.gz NQQZGCMPLVYDON-ZDUSSCGKSA-N -1 0 347.371 3.615 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000740078859 600833328 /nfs/dbraw/zinc/83/33/28/600833328.db2.gz UPHBSJINOXFKFA-QWRGUYRKSA-N -1 0 335.281 3.544 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCc1ncc(-c2ccc(C)cc2)o1 ZINC000831919595 600833565 /nfs/dbraw/zinc/83/35/65/600833565.db2.gz XXWMDAVOFHGHGK-UHFFFAOYSA-N -1 0 339.347 3.936 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)c2cnc(-c3ccncc3)s2)c1 ZINC000740041533 600834305 /nfs/dbraw/zinc/83/43/05/600834305.db2.gz SJLYPLKMIYMGBJ-UHFFFAOYSA-N -1 0 340.364 3.547 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)[C@H]2C[C@H]2C2CCCCC2)cc1 ZINC000739739197 600836987 /nfs/dbraw/zinc/83/69/87/600836987.db2.gz FYRYKSYZOHQWOW-IRXDYDNUSA-N -1 0 331.412 3.695 20 0 EHADRM CC[C@@H]1C[C@H](C)CN1C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000829074603 600841649 /nfs/dbraw/zinc/84/16/49/600841649.db2.gz IHHFOUCHSHQVPG-GXTWGEPZSA-N -1 0 334.416 3.824 20 0 EHADRM O=C([O-])c1ccoc1CSc1nnc(CCCc2ccccc2)o1 ZINC000833335772 600845061 /nfs/dbraw/zinc/84/50/61/600845061.db2.gz CHXKOYUKJPOUNC-UHFFFAOYSA-N -1 0 344.392 3.828 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc(-c3noc(C4CC4)n3)c2)cc1 ZINC000346961029 600845676 /nfs/dbraw/zinc/84/56/76/600845676.db2.gz BFENERFIVNDKCW-UHFFFAOYSA-N -1 0 349.346 3.565 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1 ZINC000833313982 600846193 /nfs/dbraw/zinc/84/61/93/600846193.db2.gz CRMTVVCNMOYXNA-UHFFFAOYSA-N -1 0 343.382 3.886 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)CCc2cccc(F)c2F)c2ccccc21 ZINC000739643583 600846920 /nfs/dbraw/zinc/84/69/20/600846920.db2.gz VUVCXHLFEVKFKE-CYBMUJFWSA-N -1 0 345.345 3.503 20 0 EHADRM CC(C)(C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21)c1cccc(F)c1 ZINC000736225573 600847699 /nfs/dbraw/zinc/84/76/99/600847699.db2.gz YOJFVWIKMBPFPW-CYBMUJFWSA-N -1 0 341.382 3.708 20 0 EHADRM Cc1ccc2c(CC(=O)N3C[C@H](CC(=O)[O-])c4ccccc43)c[nH]c2c1 ZINC000738667577 600849205 /nfs/dbraw/zinc/84/92/05/600849205.db2.gz OOMFKTWOSGYAHS-HNNXBMFYSA-N -1 0 348.402 3.624 20 0 EHADRM C[C@H](CC(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21)c1ccccc1F ZINC000736544698 600849376 /nfs/dbraw/zinc/84/93/76/600849376.db2.gz JRCYGJJZKFBBRC-ZIAGYGMSSA-N -1 0 341.382 3.924 20 0 EHADRM Cc1cc2cc(C(=O)N[C@@H](CC(=O)[O-])c3ccccc3)oc2cc1C ZINC000237906510 600850163 /nfs/dbraw/zinc/85/01/63/600850163.db2.gz KRPMGFHZFFUQTH-INIZCTEOSA-N -1 0 337.375 3.995 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000237503598 600851102 /nfs/dbraw/zinc/85/11/02/600851102.db2.gz UBTJLHQAGHGZDG-KDOFPFPSSA-N -1 0 343.398 3.727 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)c2cc3c(s2)CCCC3)c2ccccc21 ZINC000325208546 600851260 /nfs/dbraw/zinc/85/12/60/600851260.db2.gz JXSMTTGLSGNKLO-ZDUSSCGKSA-N -1 0 341.432 3.846 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000736622887 600851732 /nfs/dbraw/zinc/85/17/32/600851732.db2.gz WJTUSJIXNBBHLT-HIFRSBDPSA-N -1 0 341.382 3.609 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C2CCCCC2)c2ccccc21 ZINC000739641032 600854639 /nfs/dbraw/zinc/85/46/39/600854639.db2.gz IDUPEUKJRDGWOH-PVAVHDDUSA-N -1 0 327.424 3.808 20 0 EHADRM CCc1sc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cc1C ZINC000321138606 600857431 /nfs/dbraw/zinc/85/74/31/600857431.db2.gz KJPCVZDCEZWIHX-LBPRGKRZSA-N -1 0 329.421 3.838 20 0 EHADRM Cc1cc2cc(C(=O)Nc3ccc(OCC(=O)[O-])cc3)oc2cc1C ZINC000354180011 600860930 /nfs/dbraw/zinc/86/09/30/600860930.db2.gz POVRLMPNRRRYQN-UHFFFAOYSA-N -1 0 339.347 3.765 20 0 EHADRM Cc1cc2cc(C(=O)N(CC(=O)[O-])Cc3ccccc3)oc2cc1C ZINC000237904165 600862648 /nfs/dbraw/zinc/86/26/48/600862648.db2.gz JKJSSONTUBSTJB-UHFFFAOYSA-N -1 0 337.375 3.777 20 0 EHADRM Cc1nc(-c2cccc(C(=O)NC3(C(=O)[O-])CCCCC3)c2)cs1 ZINC000237811666 600864503 /nfs/dbraw/zinc/86/45/03/600864503.db2.gz JSNFSGZDYSFMLZ-UHFFFAOYSA-N -1 0 344.436 3.636 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1cccc(C(=O)[O-])n1)c1ccc(Cl)cc1 ZINC000736424559 600864519 /nfs/dbraw/zinc/86/45/19/600864519.db2.gz IKWKGMFPERHZTD-MRXNPFEDSA-N -1 0 346.814 3.950 20 0 EHADRM CC(C)C[C@H](NC(=O)CCSCC(=O)[O-])c1ccc(Cl)cc1 ZINC000736411099 600864717 /nfs/dbraw/zinc/86/47/17/600864717.db2.gz DUCLNBQIQGQLSR-AWEZNQCLSA-N -1 0 343.876 3.751 20 0 EHADRM O=C([O-])c1cc(NC(=O)C[C@@H]2C=CCC2)c(Br)cc1F ZINC000739218787 600868692 /nfs/dbraw/zinc/86/86/92/600868692.db2.gz NPEOADKKXDOQRK-MRVPVSSYSA-N -1 0 342.164 3.581 20 0 EHADRM CCc1[nH]c(C(=O)Nc2ccc(OC(C)C)c(C)c2)c(C)c1C(=O)[O-] ZINC000737246533 600871649 /nfs/dbraw/zinc/87/16/49/600871649.db2.gz VKTDGKIPZRDAGV-UHFFFAOYSA-N -1 0 344.411 3.932 20 0 EHADRM C[C@@H](CN(C(=O)C1CCC(c2ccccc2)CC1)C1CC1)C(=O)[O-] ZINC000237427546 600873687 /nfs/dbraw/zinc/87/36/87/600873687.db2.gz DAAHUYIKHCSELV-OOHWJJMZSA-N -1 0 329.440 3.672 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000621557883 600879973 /nfs/dbraw/zinc/87/99/73/600879973.db2.gz SAIRMUZYYZTYIP-CYBMUJFWSA-N -1 0 341.382 3.635 20 0 EHADRM O=C([O-])C1(NC(=O)c2cc(-c3ccccc3)ns2)CCCCCC1 ZINC000833129227 600880064 /nfs/dbraw/zinc/88/00/64/600880064.db2.gz XBHBOLVLJCEQHU-UHFFFAOYSA-N -1 0 344.436 3.718 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2ccc3ccccc3n2)cc1 ZINC000327209496 600881134 /nfs/dbraw/zinc/88/11/34/600881134.db2.gz NUFNCBQOKBDNTH-UHFFFAOYSA-N -1 0 334.375 3.849 20 0 EHADRM C/C(=C\C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1)C(C)(C)C ZINC000825723946 600881901 /nfs/dbraw/zinc/88/19/01/600881901.db2.gz FBOORUOJCNNFPL-WEVVVXLNSA-N -1 0 333.413 3.767 20 0 EHADRM C/C(=C\C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1)C(C)(C)C ZINC000766996990 600882598 /nfs/dbraw/zinc/88/25/98/600882598.db2.gz ADBUKRGNYSQGPI-FMIVXFBMSA-N -1 0 339.382 3.761 20 0 EHADRM C/C(=C\C(=O)Nc1nc2nc(C)cc(C(=O)[O-])c2s1)C(C)(C)C ZINC000825724460 600882709 /nfs/dbraw/zinc/88/27/09/600882709.db2.gz PTMPPPVTCCEKOA-SOFGYWHQSA-N -1 0 333.413 3.629 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)CCOc2cccc(F)c2)cc1 ZINC000393128997 600883554 /nfs/dbraw/zinc/88/35/54/600883554.db2.gz KCGUIYWVQMXBEY-UHFFFAOYSA-N -1 0 345.370 3.596 20 0 EHADRM CCc1ccc(CN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)C2CC2)cc1 ZINC000179959095 600885422 /nfs/dbraw/zinc/88/54/22/600885422.db2.gz HGZFTJVGSKRUHD-IAGOWNOFSA-N -1 0 329.440 3.631 20 0 EHADRM COc1cc(C(=O)[O-])cc(N[C@H](C)c2cc(F)ccc2F)c1OC ZINC000831913267 600894768 /nfs/dbraw/zinc/89/47/68/600894768.db2.gz NJTMSMACYQJCNY-SECBINFHSA-N -1 0 337.322 3.853 20 0 EHADRM O=C([O-])C1CCN(C(=O)C2(Cc3cccc(Cl)c3)CCCC2)CC1 ZINC000238020240 600900208 /nfs/dbraw/zinc/90/02/08/600900208.db2.gz WKLQVBDFHLXJPA-UHFFFAOYSA-N -1 0 349.858 3.766 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2cccc(N3CCCCC3)c2)C1 ZINC000833187188 600908591 /nfs/dbraw/zinc/90/85/91/600908591.db2.gz QMEMEJWPWOYBOS-CABCVRRESA-N -1 0 330.428 3.506 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccccc1C(F)(F)F ZINC000353960686 600908850 /nfs/dbraw/zinc/90/88/50/600908850.db2.gz QBMAQAZQQKWPSR-SDDRHHMPSA-N -1 0 343.345 3.774 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@H]2CCCC[C@H]2c2ccccc2)C1 ZINC000262512772 600909930 /nfs/dbraw/zinc/90/99/30/600909930.db2.gz BUUUEQXDBHTVPD-MHORFTMASA-N -1 0 329.440 3.720 20 0 EHADRM Cc1nc(-c2ccsc2)ccc1C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000191027836 600915998 /nfs/dbraw/zinc/91/59/98/600915998.db2.gz XAIOQABBNOSJED-CQSZACIVSA-N -1 0 346.452 3.595 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000539604634 600921168 /nfs/dbraw/zinc/92/11/68/600921168.db2.gz AYRITCQWTOOVTQ-LZQZEXGQSA-N -1 0 339.435 3.806 20 0 EHADRM CCC(CC)(NC(=O)CCc1ccc(-c2ccccc2)o1)C(=O)[O-] ZINC000342517900 600923690 /nfs/dbraw/zinc/92/36/90/600923690.db2.gz CRMMZRZNVZMKKW-UHFFFAOYSA-N -1 0 329.396 3.639 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NCC2(c3ccc(Cl)cc3)CCC2)C1 ZINC000179995926 600923674 /nfs/dbraw/zinc/92/36/74/600923674.db2.gz NUHLYWGSNBPVHA-KGLIPLIRSA-N -1 0 349.858 3.769 20 0 EHADRM CCC(CC)(NC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1)C(=O)[O-] ZINC000342523681 600925865 /nfs/dbraw/zinc/92/58/65/600925865.db2.gz KQVNKYJZBXPREN-ZDUSSCGKSA-N -1 0 343.423 3.712 20 0 EHADRM Cc1csc(-c2cccc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])c2)n1 ZINC000262514638 600926499 /nfs/dbraw/zinc/92/64/99/600926499.db2.gz PPOAKCIXPFHFOF-OAHLLOKOSA-N -1 0 346.452 3.595 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N(Cc2ccco2)c2ccccc2)C1 ZINC000833183964 600929661 /nfs/dbraw/zinc/92/96/61/600929661.db2.gz BGSAHTWSTAJPRN-LSDHHAIUSA-N -1 0 327.380 3.704 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000179999064 600931417 /nfs/dbraw/zinc/93/14/17/600931417.db2.gz SLYMAWPSINNDGW-CFVMTHIKSA-N -1 0 335.469 3.867 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2-n2cccc2)C1 ZINC000833186304 600932625 /nfs/dbraw/zinc/93/26/25/600932625.db2.gz LMSAQLUFEWGWMA-CHWSQXEVSA-N -1 0 346.814 3.960 20 0 EHADRM CCCC[C@@H](Sc1ncnc2c1cnn2-c1ccccc1)C(=O)[O-] ZINC000102975047 600935025 /nfs/dbraw/zinc/93/50/25/600935025.db2.gz QOFYINVGEWTALK-CQSZACIVSA-N -1 0 342.424 3.551 20 0 EHADRM CCCC[C@@H](Sc1nc2ccccc2c(=O)n1CCC)C(=O)[O-] ZINC000736985647 600936174 /nfs/dbraw/zinc/93/61/74/600936174.db2.gz PLEIVKFQOOBYCX-CQSZACIVSA-N -1 0 334.441 3.542 20 0 EHADRM O=C([O-])c1cccc(COC(=O)c2cccc(-c3cscn3)c2)c1 ZINC000833329736 600945571 /nfs/dbraw/zinc/94/55/71/600945571.db2.gz RYKHFUFWXYASHY-UHFFFAOYSA-N -1 0 339.372 3.865 20 0 EHADRM CCCc1ncc(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)s1 ZINC000829570117 600948331 /nfs/dbraw/zinc/94/83/31/600948331.db2.gz AVSPCBYKRVULFD-CYBMUJFWSA-N -1 0 339.800 3.732 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1 ZINC000828874219 600949242 /nfs/dbraw/zinc/94/92/42/600949242.db2.gz BDZRYXGVAQUNDO-CYBMUJFWSA-N -1 0 347.411 3.716 20 0 EHADRM Cn1c2ccccc2c(Cl)c1C(=O)Oc1ccccc1CC(=O)[O-] ZINC000833039045 600959140 /nfs/dbraw/zinc/95/91/40/600959140.db2.gz UIVZQXWKONSFPO-UHFFFAOYSA-N -1 0 343.766 3.678 20 0 EHADRM O=C([O-])C[C@H]1CN(Cc2ccc(OC(F)F)cc2)c2ccccc21 ZINC000739653099 600962051 /nfs/dbraw/zinc/96/20/51/600962051.db2.gz GSYWDPRJAMRVJU-ZDUSSCGKSA-N -1 0 333.334 3.867 20 0 EHADRM O=C([O-])C[C@@H]1CN(Cc2cc(F)cc3cccnc32)c2ccccc21 ZINC000327232430 600963715 /nfs/dbraw/zinc/96/37/15/600963715.db2.gz XSJLGAXKYPPZJJ-CQSZACIVSA-N -1 0 336.366 3.952 20 0 EHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)o1 ZINC000180016673 600964518 /nfs/dbraw/zinc/96/45/18/600964518.db2.gz ADVLCFLGIZYISG-PMPSAXMXSA-N -1 0 333.428 3.923 20 0 EHADRM O=C([O-])C[C@H]1CN(Cc2cc(-c3cccs3)on2)c2ccccc21 ZINC000391675293 600964864 /nfs/dbraw/zinc/96/48/64/600964864.db2.gz RWONGHGONIKTTE-LBPRGKRZSA-N -1 0 340.404 3.982 20 0 EHADRM Cc1ccc([C@H]2OCCC[C@H]2C(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC000832927964 600966065 /nfs/dbraw/zinc/96/60/65/600966065.db2.gz NYMXAJQEVHCZTC-CZUORRHYSA-N -1 0 345.420 3.861 20 0 EHADRM CC(C)c1nn(C)c2sc(C(=O)Nc3ccc(C(=O)[O-])s3)cc12 ZINC000827163897 600966885 /nfs/dbraw/zinc/96/68/85/600966885.db2.gz DJXHRUJCPUOMIT-UHFFFAOYSA-N -1 0 349.437 3.770 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000827427499 600968270 /nfs/dbraw/zinc/96/82/70/600968270.db2.gz HPWCAMAMRJPFKA-ZDUSSCGKSA-N -1 0 329.371 3.756 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc(CC(F)(F)F)cc2)C1 ZINC000180010563 600968505 /nfs/dbraw/zinc/96/85/05/600968505.db2.gz ZGOMIMQQLZOADJ-NEPJUHHUSA-N -1 0 329.318 3.621 20 0 EHADRM Cc1[nH]c(C(=O)Nc2cc(F)ccc2NC(C)C)c(C)c1C(=O)[O-] ZINC000832845848 600980990 /nfs/dbraw/zinc/98/09/90/600980990.db2.gz GKSYIEZCMGBHLE-UHFFFAOYSA-N -1 0 333.363 3.541 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000094704843 600994111 /nfs/dbraw/zinc/99/41/11/600994111.db2.gz BCFUNHNGIRWWON-VIFPVBQESA-N -1 0 333.215 3.862 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000391307313 600994652 /nfs/dbraw/zinc/99/46/52/600994652.db2.gz TXVSCUBVCJBVQP-JTQLQIEISA-N -1 0 332.322 3.574 20 0 EHADRM Cc1c(Cl)cccc1NC(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000390647256 600994688 /nfs/dbraw/zinc/99/46/88/600994688.db2.gz MMFFMAJBRFDSDZ-ZDUSSCGKSA-N -1 0 332.787 3.638 20 0 EHADRM CCCc1ncc(C(=O)Oc2ccc(C(=O)[O-])cc2Cl)s1 ZINC000737046713 600996095 /nfs/dbraw/zinc/99/60/95/600996095.db2.gz HVTLCPPJRYQMDV-UHFFFAOYSA-N -1 0 325.773 3.666 20 0 EHADRM Cc1cnc(CN(C)[C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)o1 ZINC000832985788 600996121 /nfs/dbraw/zinc/99/61/21/600996121.db2.gz OAJSZGDJZVFIAR-CYBMUJFWSA-N -1 0 329.183 3.548 20 0 EHADRM Cc1ccc(Br)cc1C(=O)Nc1ccsc1C(=O)[O-] ZINC000087741823 600996554 /nfs/dbraw/zinc/99/65/54/600996554.db2.gz YAZYXTSNBSOJKR-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM CN(C(=O)[C@@H]1CCSc2ccccc21)c1ccccc1C(=O)[O-] ZINC000737314179 600997865 /nfs/dbraw/zinc/99/78/65/600997865.db2.gz PBFVXSYUQBLGOM-CYBMUJFWSA-N -1 0 327.405 3.627 20 0 EHADRM C[C@H](C(=O)N1CCc2cc(C(=O)[O-])ccc21)c1cccc(Cl)c1 ZINC000736211396 600999279 /nfs/dbraw/zinc/99/92/79/600999279.db2.gz KXBARZARVHXUJD-NSHDSACASA-N -1 0 329.783 3.731 20 0 EHADRM C[C@H](C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000345783855 601003501 /nfs/dbraw/zinc/00/35/01/601003501.db2.gz SLZYGWXQLWXRQG-ZCDTZLGTSA-N -1 0 335.831 3.688 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@H](C)c1cccc(Cl)c1 ZINC000539572316 601004685 /nfs/dbraw/zinc/00/46/85/601004685.db2.gz WNEMXAZYLMYJER-GFCCVEGCSA-N -1 0 347.798 3.854 20 0 EHADRM CCC[C@H]1[C@@H](C)CCCN1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000829246207 601005303 /nfs/dbraw/zinc/00/53/03/601005303.db2.gz XJQXRSREDGYNBS-BBRMVZONSA-N -1 0 334.416 3.583 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1)Oc1ccccc1Cl ZINC000827486022 601007387 /nfs/dbraw/zinc/00/73/87/601007387.db2.gz FTQNOISGALMXCI-LLVKDONJSA-N -1 0 348.786 3.627 20 0 EHADRM CO[C@H](CNC(=O)Nc1cccc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC000831520179 601009246 /nfs/dbraw/zinc/00/92/46/601009246.db2.gz WOVRUXQGWLHQGP-OAHLLOKOSA-N -1 0 348.786 3.547 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@@H](C)c1cccc(F)c1)c1ccccc1 ZINC000736848656 601011679 /nfs/dbraw/zinc/01/16/79/601011679.db2.gz OBIUHOVTMGHPBL-GUYCJALGSA-N -1 0 329.371 3.826 20 0 EHADRM Cc1cccc(N(CC(=O)[O-])C(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)n1 ZINC000738720309 601014515 /nfs/dbraw/zinc/01/45/15/601014515.db2.gz PHSAROKMPJCGBQ-UKRRQHHQSA-N -1 0 332.444 3.660 20 0 EHADRM COc1cccc(F)c1[C@H](C)NC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000832558886 601015405 /nfs/dbraw/zinc/01/54/05/601015405.db2.gz SAZYDJRGLWXLPF-NSHDSACASA-N -1 0 346.358 3.724 20 0 EHADRM Cc1ccc(O[C@@H](C)CNC(=O)Nc2cccc(NC(=O)[O-])c2)cc1 ZINC000832951183 601022505 /nfs/dbraw/zinc/02/25/05/601022505.db2.gz RINDORARKXSFCE-ZDUSSCGKSA-N -1 0 343.383 3.674 20 0 EHADRM Cc1csc([C@H](NC(=O)Nc2cccc(NC(=O)[O-])c2)C2CC2)n1 ZINC000832988886 601023910 /nfs/dbraw/zinc/02/39/10/601023910.db2.gz MNYWMINTULUYFP-CYBMUJFWSA-N -1 0 346.412 3.814 20 0 EHADRM CC(C)(C)[C@H](NC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000675987054 601024517 /nfs/dbraw/zinc/02/45/17/601024517.db2.gz QQJDESNDZUDAQF-YNEHKIRRSA-N -1 0 344.238 3.712 20 0 EHADRM C[C@H](C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21)c1cccc(F)c1 ZINC000736200905 601025014 /nfs/dbraw/zinc/02/50/14/601025014.db2.gz SHDJWJVEHHUMOI-JSGCOSHPSA-N -1 0 327.355 3.534 20 0 EHADRM O=C([O-])CCN(C(=O)c1coc2ccccc12)c1cccc(F)c1 ZINC000739717216 601026191 /nfs/dbraw/zinc/02/61/91/601026191.db2.gz HJLWNICOQKRBPU-UHFFFAOYSA-N -1 0 327.311 3.693 20 0 EHADRM O=C([O-])CCN(C(=O)c1cc2occc2s1)c1cccc(F)c1 ZINC000739709976 601027523 /nfs/dbraw/zinc/02/75/23/601027523.db2.gz ADPARNJMTJUPGP-UHFFFAOYSA-N -1 0 333.340 3.755 20 0 EHADRM Cc1ccc(CC[C@@H](C)NC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)o1 ZINC000832930022 601030624 /nfs/dbraw/zinc/03/06/24/601030624.db2.gz JAXCOHKQOJETGV-GFCCVEGCSA-N -1 0 345.399 3.845 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2CC(F)(F)F)s1 ZINC000238059793 601032342 /nfs/dbraw/zinc/03/23/42/601032342.db2.gz OUCKPBCDXOOTRI-UHFFFAOYSA-N -1 0 329.299 3.803 20 0 EHADRM O=C([O-])c1cnc(N(C(=O)/C=C/c2ccc(Cl)cc2)C2CC2)s1 ZINC000740253938 601038852 /nfs/dbraw/zinc/03/88/52/601038852.db2.gz NDAWHQKZVVARAI-FPYGCLRLSA-N -1 0 348.811 3.704 20 0 EHADRM Cc1ccccc1O[C@@H](C)CNC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000832979047 601041859 /nfs/dbraw/zinc/04/18/59/601041859.db2.gz FUUNPULXQWZLLY-AWEZNQCLSA-N -1 0 342.395 3.591 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000237010654 601044771 /nfs/dbraw/zinc/04/47/71/601044771.db2.gz IINNMJMAUWTTFD-SFHVURJKSA-N -1 0 325.408 3.787 20 0 EHADRM CCCc1ccc(-c2ccc(NC(=O)NCCC(=O)[O-])cc2)cc1 ZINC000829566592 601054646 /nfs/dbraw/zinc/05/46/46/601054646.db2.gz NVXYHYYGIKUSSV-UHFFFAOYSA-N -1 0 326.396 3.902 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccncc1 ZINC000828952468 601054667 /nfs/dbraw/zinc/05/46/67/601054667.db2.gz XVQZYVHSHFMXOW-AWEZNQCLSA-N -1 0 333.775 3.706 20 0 EHADRM CC(C)(C(=O)N1CCC(CC(=O)[O-])CC1)c1ccc2ccccc2c1 ZINC000736223993 601057005 /nfs/dbraw/zinc/05/70/05/601057005.db2.gz NLPRVHIJPZTRIJ-UHFFFAOYSA-N -1 0 339.435 3.831 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1nc(Cl)ccc1Cl)c1ccccc1F ZINC000833351294 601058721 /nfs/dbraw/zinc/05/87/21/601058721.db2.gz KQOFMIIAQRQGOX-GFCCVEGCSA-N -1 0 344.125 3.510 20 0 EHADRM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000828148739 601060763 /nfs/dbraw/zinc/06/07/63/601060763.db2.gz DGWWDTFEEOTHQD-PBHICJAKSA-N -1 0 338.407 3.870 20 0 EHADRM Cc1ccc(NC(=O)/C=C\c2ccnc3ccccc23)cc1C(=O)[O-] ZINC000588592661 601062471 /nfs/dbraw/zinc/06/24/71/601062471.db2.gz SUNLXITVOSTOAC-CLFYSBASSA-N -1 0 332.359 3.893 20 0 EHADRM C/C=C/C=C\C(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000828541385 601064426 /nfs/dbraw/zinc/06/44/26/601064426.db2.gz FJJAYZITBPIUPQ-HOJFPOIOSA-N -1 0 329.377 3.684 20 0 EHADRM Cc1nc2ccccc2cc1C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000833006713 601070929 /nfs/dbraw/zinc/07/09/29/601070929.db2.gz UNAAFEWJJMBQPI-KRWDZBQOSA-N -1 0 339.322 3.665 20 0 EHADRM CC(C)[C@H](CC(=O)NC[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000262554403 601072552 /nfs/dbraw/zinc/07/25/52/601072552.db2.gz XUYNXYBSZATMOS-RBUKOAKNSA-N -1 0 339.435 3.801 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1csc2c1CCCC2)c1ccccc1F ZINC000833350279 601074487 /nfs/dbraw/zinc/07/44/87/601074487.db2.gz CRKIGXNSSFHJGN-OAHLLOKOSA-N -1 0 334.368 3.749 20 0 EHADRM Cc1cc(NC(=O)NC2CCC(C(=O)[O-])CC2)ccc1OC(C)C ZINC000263024620 601076483 /nfs/dbraw/zinc/07/64/83/601076483.db2.gz JRTPQFSUGOJMHD-UHFFFAOYSA-N -1 0 334.416 3.547 20 0 EHADRM Cc1cc(NC(=O)N2CCC(CC(=O)[O-])CC2)ccc1OC(C)C ZINC000832894115 601077055 /nfs/dbraw/zinc/07/70/55/601077055.db2.gz CWAGVEYRMRDQIM-UHFFFAOYSA-N -1 0 334.416 3.501 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cc(Cl)c[nH]1)c1ccc(Cl)cc1Cl ZINC000833351225 601077314 /nfs/dbraw/zinc/07/73/14/601077314.db2.gz OJNXKUDBOQXEDK-LLVKDONJSA-N -1 0 348.569 3.958 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)c1ccc(Cl)cc1 ZINC000833180795 601084511 /nfs/dbraw/zinc/08/45/11/601084511.db2.gz XBQMKFLURREWFP-HOCLYGCPSA-N -1 0 335.831 3.836 20 0 EHADRM Cc1[nH]c(C(=O)N2C[C@H](C)C[C@H]2c2cccc(F)c2)c(C)c1C(=O)[O-] ZINC000738162634 601085956 /nfs/dbraw/zinc/08/59/56/601085956.db2.gz WZKZXWNSQNXUAP-BMIGLBTASA-N -1 0 344.386 3.692 20 0 EHADRM Cc1ccc(C(C)(C)CN(C)C(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000262690564 601086091 /nfs/dbraw/zinc/08/60/91/601086091.db2.gz CEAMVJSXROIEPJ-UHFFFAOYSA-N -1 0 331.437 3.805 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)c1ccc(C(=O)[O-])cn1 ZINC000649454048 601086856 /nfs/dbraw/zinc/08/68/56/601086856.db2.gz LXGADIYPPCVVPD-QGZVFWFLSA-N -1 0 340.423 3.572 20 0 EHADRM C[C@@H](CCc1ccco1)NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000327252162 601086894 /nfs/dbraw/zinc/08/68/94/601086894.db2.gz WKGQLUCUOOWRHY-ZDUSSCGKSA-N -1 0 344.411 3.785 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)CCc1ccsc1 ZINC000621581738 601086974 /nfs/dbraw/zinc/08/69/74/601086974.db2.gz ZFMRNQMGZLCWEB-HOTGVXAUSA-N -1 0 335.469 3.563 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NCc2ccc(F)c(F)c2)cc1 ZINC000393208282 601089024 /nfs/dbraw/zinc/08/90/24/601089024.db2.gz HZPRVTJXOIBJSB-UHFFFAOYSA-N -1 0 348.349 3.649 20 0 EHADRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)c1cc2ccccc2o1 ZINC000833180433 601091797 /nfs/dbraw/zinc/09/17/97/601091797.db2.gz VLHWIYBIQGYLOC-JKSUJKDBSA-N -1 0 341.407 3.928 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NCc2ccc(Cl)o2)cc1 ZINC000826122930 601095851 /nfs/dbraw/zinc/09/58/51/601095851.db2.gz YQHHRKNTWNWLNZ-UHFFFAOYSA-N -1 0 336.775 3.617 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccccc1CC(F)(F)F)C(=O)[O-] ZINC000424382593 601097763 /nfs/dbraw/zinc/09/77/63/601097763.db2.gz OFRVNCWUSCCCFK-GFCCVEGCSA-N -1 0 346.349 3.660 20 0 EHADRM C/C(=C\CSc1nc(C(F)(F)F)nc2ccccc21)C(=O)[O-] ZINC000736122496 601098169 /nfs/dbraw/zinc/09/81/69/601098169.db2.gz WEFFINQIQAARRZ-SOFGYWHQSA-N -1 0 328.315 3.772 20 0 EHADRM Cc1cc(NC(=O)NCCCCCC(=O)[O-])ccc1C(F)(F)F ZINC000417744740 601099997 /nfs/dbraw/zinc/09/99/97/601099997.db2.gz FCLIEGIDWXUIDA-UHFFFAOYSA-N -1 0 332.322 3.780 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])cc2)[C@H]1c1cccc(F)c1 ZINC000237552534 601107713 /nfs/dbraw/zinc/10/77/13/601107713.db2.gz XXVBDRXZIHLGIB-YVEFUNNKSA-N -1 0 327.355 3.747 20 0 EHADRM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000630294416 601107877 /nfs/dbraw/zinc/10/78/77/601107877.db2.gz JJCVFNVLEOXLLJ-GXTWGEPZSA-N -1 0 329.421 3.540 20 0 EHADRM Cc1nc(-c2c[nH]c(C(=O)Nc3ccc(C)c(C(=O)[O-])c3)c2)cs1 ZINC000237787572 601109061 /nfs/dbraw/zinc/10/90/61/601109061.db2.gz IGKPUTLHWOBNJQ-UHFFFAOYSA-N -1 0 341.392 3.706 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000738832830 601115971 /nfs/dbraw/zinc/11/59/71/601115971.db2.gz VHKKSHTWFQXYCO-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)O[C@@H](C)C(=O)c1ccc(C(C)C)cc1 ZINC000826806076 601120710 /nfs/dbraw/zinc/12/07/10/601120710.db2.gz CXEHWNOOWWEIDK-XJKSGUPXSA-N -1 0 349.427 3.607 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc2c(c1)CCCC2 ZINC000326313976 601126035 /nfs/dbraw/zinc/12/60/35/601126035.db2.gz MIAYGNWMVHKSDJ-MORSLUCNSA-N -1 0 329.440 3.634 20 0 EHADRM Cc1c(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cnc2ccccc12 ZINC000832850241 601139339 /nfs/dbraw/zinc/13/93/39/601139339.db2.gz LDRKXFVGBORVFU-AWEZNQCLSA-N -1 0 346.386 3.762 20 0 EHADRM COc1ccc(CN(C)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1F ZINC000832310796 601142347 /nfs/dbraw/zinc/14/23/47/601142347.db2.gz HPAWQEOGJVDVTG-UHFFFAOYSA-N -1 0 346.358 3.505 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)N(CC(=O)[O-])c3cccc(F)c3)cc2C1 ZINC000828311239 601143578 /nfs/dbraw/zinc/14/35/78/601143578.db2.gz VNBAHOHAZWBTGR-LLVKDONJSA-N -1 0 347.411 3.743 20 0 EHADRM O=C([O-])CN(C(=O)c1cc2ccc(F)cc2s1)c1cccc(F)c1 ZINC000833245394 601145469 /nfs/dbraw/zinc/14/54/69/601145469.db2.gz QLAKTAFZXHUJST-UHFFFAOYSA-N -1 0 347.342 3.911 20 0 EHADRM Cc1ccc(SC2(C(=O)N3CCC[C@H](C(=O)[O-])C3)CCCC2)cc1 ZINC000237860965 601152554 /nfs/dbraw/zinc/15/25/54/601152554.db2.gz RWYNPNRLDWQXOB-HNNXBMFYSA-N -1 0 347.480 3.723 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Oc2ccccc2Oc2ccccn2)C1 ZINC000833187928 601152573 /nfs/dbraw/zinc/15/25/73/601152573.db2.gz SYHRLUFRHVZGMR-KBPBESRZSA-N -1 0 341.363 3.670 20 0 EHADRM CSc1ccc(C)c(C(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)c1 ZINC000832777452 601158850 /nfs/dbraw/zinc/15/88/50/601158850.db2.gz NAOGIGSJBOIFBD-UHFFFAOYSA-N -1 0 348.449 3.681 20 0 EHADRM CSc1ccc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000237312257 601161349 /nfs/dbraw/zinc/16/13/49/601161349.db2.gz UDEVVXRHBZBOJY-MLGOLLRUSA-N -1 0 329.421 3.600 20 0 EHADRM O=C([O-])CC1(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)CCCCC1 ZINC000532603061 601185112 /nfs/dbraw/zinc/18/51/12/601185112.db2.gz FLZDMISZYMBFQU-UHFFFAOYSA-N -1 0 348.830 3.658 20 0 EHADRM Cc1oc(-c2ccccc2)nc1COC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833023764 601185105 /nfs/dbraw/zinc/18/51/05/601185105.db2.gz GVQLIPVRNMDGGM-GJZGRUSLSA-N -1 0 343.379 3.584 20 0 EHADRM Cc1ccccc1-c1cnc(COC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)o1 ZINC000832974755 601187374 /nfs/dbraw/zinc/18/73/74/601187374.db2.gz NSCZMJIEBYUQFK-UONOGXRCSA-N -1 0 343.379 3.584 20 0 EHADRM C[C@@H](OC(=O)c1cc(N)cc(Cl)c1Cl)c1ccc(C(=O)[O-])o1 ZINC000827844627 601189765 /nfs/dbraw/zinc/18/97/65/601189765.db2.gz SCACRQRFJMLQOP-ZCFIWIBFSA-N -1 0 344.150 3.785 20 0 EHADRM CCS[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000388636450 601190631 /nfs/dbraw/zinc/19/06/31/601190631.db2.gz BNFACWLRZOKDNK-CHWSQXEVSA-N -1 0 342.848 3.834 20 0 EHADRM Cc1ccc(OC(=O)C[C@@H](C)C(=O)c2cccc(F)c2)c(C(=O)[O-])c1 ZINC000832953248 601192659 /nfs/dbraw/zinc/19/26/59/601192659.db2.gz PHJVESNWDAROGK-GFCCVEGCSA-N -1 0 344.338 3.647 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)C(C)(C)C ZINC000237672860 601208270 /nfs/dbraw/zinc/20/82/70/601208270.db2.gz VWYGEBRBGSFESL-INIZCTEOSA-N -1 0 326.396 3.605 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)N1CCC(CC(=O)[O-])CC1)C(C)(C)C ZINC000832981184 601214038 /nfs/dbraw/zinc/21/40/38/601214038.db2.gz BMTYDHFSABENGQ-GOSISDBHSA-N -1 0 346.471 3.979 20 0 EHADRM O=C([O-])c1sc(N(Cc2ccc(F)cc2F)C2CC2)nc1Cl ZINC000833346856 601249767 /nfs/dbraw/zinc/24/97/67/601249767.db2.gz RVQAADLNRQFOQE-UHFFFAOYSA-N -1 0 344.770 3.942 20 0 EHADRM Cc1cc(C)cc(OCCNc2ccc(CN(C)C(=O)[O-])cc2)c1 ZINC000832878893 601250440 /nfs/dbraw/zinc/25/04/40/601250440.db2.gz JIWRRHCKMXOVGN-UHFFFAOYSA-N -1 0 328.412 3.904 20 0 EHADRM CC(C)(CC(=O)[O-])NC(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000826533631 601268513 /nfs/dbraw/zinc/26/85/13/601268513.db2.gz NHKPFUCYIKRJNL-IUOZQUQDSA-N -1 0 347.377 3.505 20 0 EHADRM O=C([O-])c1ccc(OC(=O)[C@H]2CC23CCCC3)c(Br)c1 ZINC000833321583 601269565 /nfs/dbraw/zinc/26/95/65/601269565.db2.gz IVCGFEDNQYBVDZ-SNVBAGLBSA-N -1 0 339.185 3.633 20 0 EHADRM C[C@@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1cc(Cl)ccc1Cl ZINC000362500507 601277218 /nfs/dbraw/zinc/27/72/18/601277218.db2.gz SDTMODHWRYOPCV-MRVPVSSYSA-N -1 0 339.178 3.578 20 0 EHADRM CO[C@@H](C)c1nc(C)c(C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)s1 ZINC000831499912 601280819 /nfs/dbraw/zinc/28/08/19/601280819.db2.gz HJAFEFFCGNYUFL-JTQLQIEISA-N -1 0 349.412 3.525 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)C/C=C\c2ccc(F)cc2)c2ccccc21 ZINC000833216167 601289651 /nfs/dbraw/zinc/28/96/51/601289651.db2.gz ITFPSKPTDHLCTA-JZIMQPMSSA-N -1 0 339.366 3.834 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1cccc2[nH]ccc21 ZINC000833178703 601292288 /nfs/dbraw/zinc/29/22/88/601292288.db2.gz IIKJDSBNSMBNQV-KDOFPFPSSA-N -1 0 340.423 3.664 20 0 EHADRM C[C@]1(CCc2ccccc2)CCN(C(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000262415464 601294736 /nfs/dbraw/zinc/29/47/36/601294736.db2.gz PAZZHIRDNASPEG-IBGZPJMESA-N -1 0 343.448 3.931 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)Cc1cccc2ccccc21)c1ccccc1 ZINC000237511723 601295355 /nfs/dbraw/zinc/29/53/55/601295355.db2.gz CTRZZRZLPYIKJP-YCRPNKLZSA-N -1 0 347.414 3.961 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Cc1ccc2ccccc2c1)c1ccccc1 ZINC000237745985 601298176 /nfs/dbraw/zinc/29/81/76/601298176.db2.gz NEZJTVOVRQXAAI-VFNWGFHPSA-N -1 0 347.414 3.961 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)c(F)c1 ZINC000832948019 601308865 /nfs/dbraw/zinc/30/88/65/601308865.db2.gz YZCWOHPMOOZXDI-HNNXBMFYSA-N -1 0 334.322 3.611 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1sc2nccc(C)c2c1C ZINC000828797192 601309214 /nfs/dbraw/zinc/30/92/14/601309214.db2.gz XJPPEIIKBRKFSV-UHFFFAOYSA-N -1 0 334.441 3.676 20 0 EHADRM Cn1cc(NC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)cc1C(=O)[O-] ZINC000833045820 601311371 /nfs/dbraw/zinc/31/13/71/601311371.db2.gz PJDIGLHTMPFTTL-DLBZAZTESA-N -1 0 334.375 3.619 20 0 EHADRM CCn1c2ccc(F)cc2nc1/C(Cl)=C/c1ccc(C(=O)[O-])[nH]1 ZINC000830408058 601331726 /nfs/dbraw/zinc/33/17/26/601331726.db2.gz HPJDXVIQYLEZNO-FLIBITNWSA-N -1 0 333.750 3.959 20 0 EHADRM CCO[C@H]1C[C@@H](NC(=O)Nc2cccc(NC(=O)[O-])c2)C1(CC)CC ZINC000829925165 601336957 /nfs/dbraw/zinc/33/69/57/601336957.db2.gz NQRHYONLWXFZEP-CABCVRRESA-N -1 0 349.431 3.882 20 0 EHADRM CCO[C@H]1C[C@@H](NC(=O)Nc2ccc(NC(=O)[O-])cc2)C1(CC)CC ZINC000829924745 601336975 /nfs/dbraw/zinc/33/69/75/601336975.db2.gz KJWZXVNLNXLHKY-CABCVRRESA-N -1 0 349.431 3.882 20 0 EHADRM C[C@H](OC(=O)CCc1ccc(C(=O)[O-])cc1)c1ncc(C(C)(C)C)o1 ZINC000827833716 601339279 /nfs/dbraw/zinc/33/92/79/601339279.db2.gz NIRPSGWPLDYKNT-LBPRGKRZSA-N -1 0 345.395 3.907 20 0 EHADRM C[C@@H](S[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1)C(=O)[O-] ZINC000827902429 601345943 /nfs/dbraw/zinc/34/59/43/601345943.db2.gz KRVRZSQWYZTGIS-RKDXNWHRSA-N -1 0 326.805 3.581 20 0 EHADRM O=C([O-])c1cccc(-c2nc(COC(=O)[C@@H]3C[C@H]3C3CC3)cs2)c1 ZINC000833327027 601358574 /nfs/dbraw/zinc/35/85/74/601358574.db2.gz ZSNPEXPDTJSSAX-LSDHHAIUSA-N -1 0 343.404 3.598 20 0 EHADRM CCc1ccc(Cc2nc(COc3cccc(C(=O)[O-])c3)no2)cc1 ZINC000830249792 601368017 /nfs/dbraw/zinc/36/80/17/601368017.db2.gz OXIHCSUDIXUADS-UHFFFAOYSA-N -1 0 338.363 3.500 20 0 EHADRM CCOC(=O)/C=C\c1ccc(NCc2cc(C(=O)[O-])oc2CC)cc1 ZINC000829837910 601390099 /nfs/dbraw/zinc/39/00/99/601390099.db2.gz PGJAKROSGDNZKK-YFHOEESVSA-N -1 0 343.379 3.729 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1ccc(-c2nccc(C)n2)cc1 ZINC000830379248 601391020 /nfs/dbraw/zinc/39/10/20/601391020.db2.gz OQZPWNXJHQIDAP-UHFFFAOYSA-N -1 0 337.379 3.918 20 0 EHADRM Cc1ccc2oc(C(=O)N[C@H](c3ccccc3)[C@H](C)C(=O)[O-])cc2c1 ZINC000237628669 601391742 /nfs/dbraw/zinc/39/17/42/601391742.db2.gz VBKXZUDVWBOFIC-UGSOOPFHSA-N -1 0 337.375 3.933 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1cc2cc(F)ccc2o1)c1ccccc1 ZINC000237628765 601393285 /nfs/dbraw/zinc/39/32/85/601393285.db2.gz WHYDKZFXRLPTTN-GTNSWQLSSA-N -1 0 341.338 3.764 20 0 EHADRM C/C(=C\C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-])c1ccc(F)cc1 ZINC000767074353 601393446 /nfs/dbraw/zinc/39/34/46/601393446.db2.gz QMOSTZFPCBNYSM-IUQIGXGESA-N -1 0 341.382 3.807 20 0 EHADRM O=C([O-])CC1(NC(=S)Nc2ccc(SC(F)F)cc2)CCC1 ZINC000833205190 601394121 /nfs/dbraw/zinc/39/41/21/601394121.db2.gz SKTRIGSBGQMBFT-UHFFFAOYSA-N -1 0 346.424 3.685 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CSc1nccc(C(F)(F)F)n1 ZINC000830394912 601395282 /nfs/dbraw/zinc/39/52/82/601395282.db2.gz QJFISIWOEPHQOV-UHFFFAOYSA-N -1 0 332.303 3.641 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CSc1nnc(C2CC2)n1C1CC1 ZINC000830398858 601395654 /nfs/dbraw/zinc/39/56/54/601395654.db2.gz WNDJMGKFLSPKBI-UHFFFAOYSA-N -1 0 333.413 3.636 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Oc2ccc(NC(=O)[O-])cc2)cc1 ZINC000832220908 601395715 /nfs/dbraw/zinc/39/57/15/601395715.db2.gz LVLZHSLRYFRLNN-GFCCVEGCSA-N -1 0 329.352 3.884 20 0 EHADRM O=C([O-])c1nn(CN2CCC[C@H]2c2ccsc2)c2ccccc21 ZINC000833346711 601398018 /nfs/dbraw/zinc/39/80/18/601398018.db2.gz OEGDUTSGGMOXBU-AWEZNQCLSA-N -1 0 327.409 3.591 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Nc2ccc(OC)cc2C(=O)[O-])cc1 ZINC000577556846 601400099 /nfs/dbraw/zinc/40/00/99/601400099.db2.gz KFJJEUKZFADFBI-GFCCVEGCSA-N -1 0 343.379 3.534 20 0 EHADRM C[C@H](C(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccc(Cl)s1 ZINC000826013261 601406243 /nfs/dbraw/zinc/40/62/43/601406243.db2.gz LKCIKQGQXVQDQD-VIFPVBQESA-N -1 0 338.816 3.911 20 0 EHADRM C/C(=C\COC(=O)c1cc(-c2ccco2)nc2ccccc21)C(=O)[O-] ZINC000825770499 601406624 /nfs/dbraw/zinc/40/66/24/601406624.db2.gz ZAVJPUNCTZZTSW-XYOKQWHBSA-N -1 0 337.331 3.683 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN(Cc1ccccc1OC)C1CC1 ZINC000830363239 601413353 /nfs/dbraw/zinc/41/33/53/601413353.db2.gz OXJXCCUKWJIVGD-UHFFFAOYSA-N -1 0 329.396 3.713 20 0 EHADRM C/C(=C\COC(=O)c1ccccc1SCc1cscn1)C(=O)[O-] ZINC000825780879 601414500 /nfs/dbraw/zinc/41/45/00/601414500.db2.gz KFOIYAWHVDHCKP-IZZDOVSWSA-N -1 0 349.433 3.623 20 0 EHADRM CCCN(C/C=C(\C)C(=O)[O-])Cc1nnc(-c2ccccc2Cl)o1 ZINC000829486303 601420546 /nfs/dbraw/zinc/42/05/46/601420546.db2.gz BCRNKTUVBGGAKS-XYOKQWHBSA-N -1 0 349.818 3.633 20 0 EHADRM CN(Cc1csc2ccccc12)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000830869738 601420714 /nfs/dbraw/zinc/42/07/14/601420714.db2.gz GRVJZUHKZXVKOG-UHFFFAOYSA-N -1 0 346.452 3.688 20 0 EHADRM C/C(=C/C(=O)NC1(CC(=O)[O-])CCC1)c1cccc(C(F)(F)F)c1 ZINC000767060092 601432281 /nfs/dbraw/zinc/43/22/81/601432281.db2.gz UNHWNGJULYUBPQ-FLIBITNWSA-N -1 0 341.329 3.622 20 0 EHADRM CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000237018602 601436688 /nfs/dbraw/zinc/43/66/88/601436688.db2.gz CYJUIEGKTQWNQR-INIZCTEOSA-N -1 0 345.370 3.639 20 0 EHADRM Cc1[nH]c(C(=O)Nc2ccc(OC3CCC3)c(F)c2)c(C)c1C(=O)[O-] ZINC000832846278 601447446 /nfs/dbraw/zinc/44/74/46/601447446.db2.gz LMGUWKWDUBXACE-UHFFFAOYSA-N -1 0 346.358 3.652 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)c3c(F)cccc3F)ccc2n1C ZINC000832852559 601450086 /nfs/dbraw/zinc/45/00/86/601450086.db2.gz ZZFZOOTUSPJQBU-UHFFFAOYSA-N -1 0 345.301 3.682 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)CSCc1cccc(F)c1F ZINC000833116140 601457656 /nfs/dbraw/zinc/45/76/56/601457656.db2.gz USRZAWMCUQOLRU-UHFFFAOYSA-N -1 0 337.347 3.535 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000767052182 601460487 /nfs/dbraw/zinc/46/04/87/601460487.db2.gz OZIBRRZKUGUYOT-VFZGTOFNSA-N -1 0 332.227 3.857 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CCc1ccc(Cl)cc1Cl ZINC000236995045 601460834 /nfs/dbraw/zinc/46/08/34/601460834.db2.gz QWHLEONAZIFPJE-HNNXBMFYSA-N -1 0 332.227 3.686 20 0 EHADRM C[C@H](OC(=O)C1(c2cccc(Cl)c2)CC1)c1ccc(C(=O)[O-])o1 ZINC000827818005 601461678 /nfs/dbraw/zinc/46/16/78/601461678.db2.gz PZUALGCINDLFCN-JTQLQIEISA-N -1 0 334.755 3.967 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H](C)Sc1ccccc1Cl ZINC000237114620 601464942 /nfs/dbraw/zinc/46/49/42/601464942.db2.gz JUJSBUNMNFVROK-ZUZCIYMTSA-N -1 0 329.849 3.580 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)C[C@H](C)c1ccccc1OC ZINC000830383826 601465010 /nfs/dbraw/zinc/46/50/10/601465010.db2.gz GJMVTSTXHOITJO-LBPRGKRZSA-N -1 0 346.379 3.786 20 0 EHADRM CC(C)c1ccc(-c2nc(CN(CC(=O)[O-])C3CC3)cs2)cc1 ZINC000572967473 601465039 /nfs/dbraw/zinc/46/50/39/601465039.db2.gz HBRWSNLIAMTMEV-UHFFFAOYSA-N -1 0 330.453 3.983 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000829015139 601469149 /nfs/dbraw/zinc/46/91/49/601469149.db2.gz ZOCSJMKCULAOOY-OCCSQVGLSA-N -1 0 332.352 3.748 20 0 EHADRM Cc1cnc([C@@H](C)NC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)s1 ZINC000388995730 601477719 /nfs/dbraw/zinc/47/77/19/601477719.db2.gz PYMKWBMXXHRIHS-MRVPVSSYSA-N -1 0 339.804 3.686 20 0 EHADRM COc1cccc([C@H](C)CC(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC000832527821 601483695 /nfs/dbraw/zinc/48/36/95/601483695.db2.gz BGIDJCVLKYTWBX-NEPJUHHUSA-N -1 0 332.352 3.784 20 0 EHADRM CCCOc1ccccc1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000656601082 601484443 /nfs/dbraw/zinc/48/44/43/601484443.db2.gz PLOADZRIVPZKFY-UHFFFAOYSA-N -1 0 334.416 3.584 20 0 EHADRM CC(C)C1(CNC(=O)Nc2cccc(CSCC(=O)[O-])c2)CC1 ZINC000826728092 601486357 /nfs/dbraw/zinc/48/63/57/601486357.db2.gz ZSYMORPGGBBOQO-UHFFFAOYSA-N -1 0 336.457 3.562 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)Nc2ccc(OCC3CC3)cc2)CC1 ZINC000656602826 601486376 /nfs/dbraw/zinc/48/63/76/601486376.db2.gz YTYJOMQRWOTFQM-UHFFFAOYSA-N -1 0 346.427 3.584 20 0 EHADRM CCC1CCC(NCc2nc(-c3cccc(C)c3)no2)(C(=O)[O-])CC1 ZINC000829107203 601495526 /nfs/dbraw/zinc/49/55/26/601495526.db2.gz JXOLHWOCVJWRMF-UHFFFAOYSA-N -1 0 343.427 3.558 20 0 EHADRM Cc1ccc(/C=C/CC(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000832928760 601501382 /nfs/dbraw/zinc/50/13/82/601501382.db2.gz WIYVKMRDJDQLSI-GNAXCBTBSA-N -1 0 337.419 3.691 20 0 EHADRM C[C@H]1CC/C(=C/C(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)C1 ZINC000828200468 601503849 /nfs/dbraw/zinc/50/38/49/601503849.db2.gz GJFOQAZHWNJUJE-IXJPEXDMSA-N -1 0 337.366 3.515 20 0 EHADRM Cc1cc(C(=O)Nc2ncc(C(C)C)s2)cc(C)c1OCC(=O)[O-] ZINC000832867981 601567644 /nfs/dbraw/zinc/56/76/44/601567644.db2.gz UJIBOYHSCLWAEA-UHFFFAOYSA-N -1 0 348.424 3.599 20 0 EHADRM CCN(C(=O)/C=C/SCc1ccco1)c1ccccc1C(=O)[O-] ZINC000829590672 601572602 /nfs/dbraw/zinc/57/26/02/601572602.db2.gz ANTHTNHSLUZETC-PKNBQFBNSA-N -1 0 331.393 3.778 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1ccccc1C(F)(F)F ZINC000392958422 601574785 /nfs/dbraw/zinc/57/47/85/601574785.db2.gz QOWNCRGGCSOATI-HNNXBMFYSA-N -1 0 349.308 3.530 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2ccccc2o1)c1ccc(Cl)cc1 ZINC000345752332 601582753 /nfs/dbraw/zinc/58/27/53/601582753.db2.gz SEMPSPUTBZYTKX-HNNXBMFYSA-N -1 0 329.739 3.642 20 0 EHADRM O=C([O-])[C@H](OC(=O)C[C@@H]1CCCCO1)c1ccc(Cl)cc1Cl ZINC000833094603 601605412 /nfs/dbraw/zinc/60/54/12/601605412.db2.gz XHZZPNSOOOWQKF-IINYFYTJSA-N -1 0 347.194 3.622 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000261856260 601614297 /nfs/dbraw/zinc/61/42/97/601614297.db2.gz KAYULZSNGKKOSP-RYUDHWBXSA-N -1 0 329.318 3.621 20 0 EHADRM Cc1cccc(Oc2ccc(NC(=O)NC[C@@H](C)C(=O)[O-])cc2)c1 ZINC000832975398 601615989 /nfs/dbraw/zinc/61/59/89/601615989.db2.gz UEZYMVOSKGJQGG-CYBMUJFWSA-N -1 0 328.368 3.630 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1cccc(Oc2ccncc2)c1 ZINC000428111115 601617564 /nfs/dbraw/zinc/61/75/64/601617564.db2.gz DSGVTWXGYZUCAI-UHFFFAOYSA-N -1 0 348.358 3.753 20 0 EHADRM COc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c(C)c1 ZINC000345999000 601619155 /nfs/dbraw/zinc/61/91/55/601619155.db2.gz MPWBEVBJKQOQDL-INIZCTEOSA-N -1 0 347.798 3.603 20 0 EHADRM CCOc1cccc(NC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000830104606 601620833 /nfs/dbraw/zinc/62/08/33/601620833.db2.gz JYVLTTWRNNZQDN-SUMWQHHRSA-N -1 0 342.395 3.669 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc2ccccc2[nH]1)c1ccc(Cl)cc1 ZINC000345914733 601621389 /nfs/dbraw/zinc/62/13/89/601621389.db2.gz UQAGAVIETFZLKP-HNNXBMFYSA-N -1 0 342.782 3.767 20 0 EHADRM O=C([O-])c1ccc(CSc2nncn2-c2ccccc2F)cc1F ZINC000833317238 601622483 /nfs/dbraw/zinc/62/24/83/601622483.db2.gz PIOAZSLXQVVROS-UHFFFAOYSA-N -1 0 347.346 3.536 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Nc1cccc(-c2cccs2)c1)C1CC1 ZINC000833198996 601622780 /nfs/dbraw/zinc/62/27/80/601622780.db2.gz MSHQTJQJRHOMLJ-AWEZNQCLSA-N -1 0 330.409 3.790 20 0 EHADRM O=C([O-])[C@H]1CCCCN1C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000238051121 601626729 /nfs/dbraw/zinc/62/67/29/601626729.db2.gz YTJZOEOOFYMLPW-CYBMUJFWSA-N -1 0 333.771 3.679 20 0 EHADRM O=C([O-])[C@H]1CCCCN1C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000136537473 601628868 /nfs/dbraw/zinc/62/88/68/601628868.db2.gz PXVDGCDDAGBXHW-MELADBBJSA-N -1 0 342.222 3.563 20 0 EHADRM Cc1ccc2[nH]c3c(c2c1)CN(Cc1ccc(C(=O)[O-])c(F)c1)CC3 ZINC000832958673 601629919 /nfs/dbraw/zinc/62/99/19/601629919.db2.gz GWJPHVPJTHNFSH-UHFFFAOYSA-N -1 0 338.382 3.872 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc(CSc2ccccc2)cc1)C1CC1 ZINC000238087550 601633330 /nfs/dbraw/zinc/63/33/30/601633330.db2.gz SCYCDPCQLJKEMS-UHFFFAOYSA-N -1 0 341.432 3.668 20 0 EHADRM C[C@@H]1CN(Cc2ccc(C(=O)[O-])c(F)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000568289186 601642775 /nfs/dbraw/zinc/64/27/75/601642775.db2.gz UONNYXFXRFBBMG-KZULUSFZSA-N -1 0 347.361 3.625 20 0 EHADRM Cc1ccccc1[C@@H]1CN(Cc2ccc(C(=O)[O-])c(F)c2)[C@H](C)CO1 ZINC000659787334 601644029 /nfs/dbraw/zinc/64/40/29/601644029.db2.gz FNPPGGXIVKDYRX-KUHUBIRLSA-N -1 0 343.398 3.794 20 0 EHADRM COC[C@@H](C)CC(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C1CC1 ZINC000831643327 601655975 /nfs/dbraw/zinc/65/59/75/601655975.db2.gz GTMNHWJXANPVDC-NSHDSACASA-N -1 0 345.395 3.561 20 0 EHADRM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(NC(=O)[O-])cc2)C1(CC)CC ZINC000829917258 601662960 /nfs/dbraw/zinc/66/29/60/601662960.db2.gz FAOSKULCRVOBRO-HZPDHXFCSA-N -1 0 348.443 3.832 20 0 EHADRM O=C([O-])c1ccc(CSc2nnc(-c3cccs3)o2)cc1F ZINC000319910206 601671670 /nfs/dbraw/zinc/67/16/70/601671670.db2.gz MIQOFXOCPYRDOW-UHFFFAOYSA-N -1 0 336.369 3.928 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)CCCc2csc3ccccc23)C1 ZINC000128538071 601673331 /nfs/dbraw/zinc/67/33/31/601673331.db2.gz GQDUYNPFACEJOB-ZDUSSCGKSA-N -1 0 331.437 3.547 20 0 EHADRM Cc1nc(CC(C)C)c(C(=O)Nc2ccc(C(=O)[O-])cc2F)s1 ZINC000261990373 601674581 /nfs/dbraw/zinc/67/45/81/601674581.db2.gz XYVZYVWLVFJPTN-UHFFFAOYSA-N -1 0 336.388 3.740 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)CCCc1ccc(F)c(F)c1 ZINC000833098106 601675546 /nfs/dbraw/zinc/67/55/46/601675546.db2.gz HBUFDULCSYAYKP-UHFFFAOYSA-N -1 0 337.297 3.764 20 0 EHADRM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)NCC(C)(C)C(=O)[O-] ZINC000827951725 601685730 /nfs/dbraw/zinc/68/57/30/601685730.db2.gz ZZFCSDZIZYNCSU-AWEZNQCLSA-N -1 0 332.444 3.670 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)N1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000826648114 601696051 /nfs/dbraw/zinc/69/60/51/601696051.db2.gz UNUVJFAEKGJULV-DZGCQCFKSA-N -1 0 333.453 3.538 20 0 EHADRM O=C([O-])c1cc(NC(=O)N(CCC(F)(F)F)CC2CC2)ccc1F ZINC000833300199 601697688 /nfs/dbraw/zinc/69/76/88/601697688.db2.gz LQZKWJDUSAICCP-UHFFFAOYSA-N -1 0 348.296 3.720 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2c(cccc2F)[nH]1)c1ccc(Cl)cc1 ZINC000345746950 601699839 /nfs/dbraw/zinc/69/98/39/601699839.db2.gz LAVYVQJRNTXRMN-HNNXBMFYSA-N -1 0 346.745 3.516 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(N(C)C(=O)[O-])cc1)c1ccc(F)cc1F ZINC000832835939 601700840 /nfs/dbraw/zinc/70/08/40/601700840.db2.gz ZLCHGXQRHDWONI-JTQLQIEISA-N -1 0 349.337 3.962 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cccc(C(F)(F)F)c2)cc1F ZINC000833353411 601704483 /nfs/dbraw/zinc/70/44/83/601704483.db2.gz UCAPKRFVQHDUAP-UHFFFAOYSA-N -1 0 342.244 3.900 20 0 EHADRM CC(C)(CNC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000236701972 601708841 /nfs/dbraw/zinc/70/88/41/601708841.db2.gz UIIHORORIVQBFJ-ZZXKWVIFSA-N -1 0 349.736 3.599 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cc(Cl)ccc2F)cc1F ZINC000833315937 601713094 /nfs/dbraw/zinc/71/30/94/601713094.db2.gz LNGSPOXCUUUCFE-UHFFFAOYSA-N -1 0 326.682 3.673 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(-c3ccccc3)ccc2Cl)C[C@H]1C(=O)[O-] ZINC000263007928 601713513 /nfs/dbraw/zinc/71/35/13/601713513.db2.gz WYSDMKBQUYTYSU-MLGOLLRUSA-N -1 0 343.810 3.800 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)[C@H]1Cc2ccccc2S1 ZINC000833031811 601715058 /nfs/dbraw/zinc/71/50/58/601715058.db2.gz QHUQVZOMMOFXFX-CQSZACIVSA-N -1 0 334.418 3.515 20 0 EHADRM Cc1ccc(C(C)(C)C(=O)OCc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000832923821 601728056 /nfs/dbraw/zinc/72/80/56/601728056.db2.gz KKXFOMICTPTUBB-UHFFFAOYSA-N -1 0 330.355 3.853 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2ncoc2-c2ccccc2)cc1F ZINC000833314780 601729049 /nfs/dbraw/zinc/72/90/49/601729049.db2.gz MZVGIESSPYRSPW-UHFFFAOYSA-N -1 0 341.294 3.536 20 0 EHADRM CC/C(=C/C(=O)N[C@@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000828550846 601742919 /nfs/dbraw/zinc/74/29/19/601742919.db2.gz ZCHJOHOPZCKSTB-MENFKHAKSA-N -1 0 327.355 3.561 20 0 EHADRM CC(C)c1cc(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)nn1C(C)(C)C ZINC000827102154 601750495 /nfs/dbraw/zinc/75/04/95/601750495.db2.gz RTWJTXTYWZWDKP-INIZCTEOSA-N -1 0 349.475 3.525 20 0 EHADRM CC(C)c1cc(C(=O)N[C@@H](C(=O)[O-])C2CCCCC2)nn1C(C)(C)C ZINC000827102155 601750683 /nfs/dbraw/zinc/75/06/83/601750683.db2.gz RTWJTXTYWZWDKP-MRXNPFEDSA-N -1 0 349.475 3.525 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(CSc2ccccc2)cc1)C(=O)[O-] ZINC000236977111 601753914 /nfs/dbraw/zinc/75/39/14/601753914.db2.gz KYFPVMHHHZBURW-MRXNPFEDSA-N -1 0 329.421 3.572 20 0 EHADRM CC[C@@H](NC(=O)c1ccccc1SCc1cccs1)C(=O)[O-] ZINC000236968141 601754473 /nfs/dbraw/zinc/75/44/73/601754473.db2.gz XXTRBMRTUMHOKJ-CYBMUJFWSA-N -1 0 335.450 3.633 20 0 EHADRM C[C@H]1CN(C(=S)Nc2ccccc2-c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000828414265 601765024 /nfs/dbraw/zinc/76/50/24/601765024.db2.gz YMSINBTWONHEDD-BBRMVZONSA-N -1 0 340.448 3.703 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CC[C@](C)(c2ccccc2)C1 ZINC000832914889 601773382 /nfs/dbraw/zinc/77/33/82/601773382.db2.gz BZXNVMFLZFMEJH-FQEVSTJZSA-N -1 0 338.407 3.889 20 0 EHADRM O=C([O-])Nc1ccc(NS(=O)(=O)c2cccc3ccccc32)cc1 ZINC000833290210 601782862 /nfs/dbraw/zinc/78/28/62/601782862.db2.gz PSNLSCQLOHKHLI-UHFFFAOYSA-N -1 0 342.376 3.731 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1[nH]c2ccccc2c1Cl)C1CCCCC1 ZINC000621585014 601785605 /nfs/dbraw/zinc/78/56/05/601785605.db2.gz OBDZQTVGHQQANT-AWEZNQCLSA-N -1 0 334.803 3.585 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)C1(CC(C)C)CCC1 ZINC000831977913 601802647 /nfs/dbraw/zinc/80/26/47/601802647.db2.gz VKIASGLISOCKDO-VURMDHGXSA-N -1 0 332.396 3.915 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1cc3cccc(Cl)c3o1)C2 ZINC000833324989 601803745 /nfs/dbraw/zinc/80/37/45/601803745.db2.gz KBKOIQOKPPUVFP-UHFFFAOYSA-N -1 0 341.750 3.940 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(CCC(F)(F)F)cc2)nc1 ZINC000833312653 601806423 /nfs/dbraw/zinc/80/64/23/601806423.db2.gz XHMNSRXFVQUQQQ-UHFFFAOYSA-N -1 0 338.285 3.527 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H](C2CCCCC2)C(F)(F)F)cc1 ZINC000833310987 601806456 /nfs/dbraw/zinc/80/64/56/601806456.db2.gz RYPQOMXVHXXQIC-ZDUSSCGKSA-N -1 0 329.318 3.626 20 0 EHADRM CCOc1ccc(CC(=O)Nc2scc(C3CC3)c2C(=O)[O-])cc1 ZINC000830071298 601810100 /nfs/dbraw/zinc/81/01/00/601810100.db2.gz SPXCYABYYYESCB-UHFFFAOYSA-N -1 0 345.420 3.904 20 0 EHADRM CC[C@@H](CNC(=O)c1ccccc1NC(=O)[O-])Oc1cccc(F)c1 ZINC000828884337 601812914 /nfs/dbraw/zinc/81/29/14/601812914.db2.gz VAYAATZOVYBITR-ZDUSSCGKSA-N -1 0 346.358 3.503 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)C2(c3cccc(F)c3)CCCC2)CC1 ZINC000540782802 601817260 /nfs/dbraw/zinc/81/72/60/601817260.db2.gz WJFLLVPQENCUHP-UHFFFAOYSA-N -1 0 347.430 3.741 20 0 EHADRM Cc1ccc2c(CCC(=O)N3CCC(CCC(=O)[O-])CC3)c[nH]c2c1 ZINC000832959909 601818563 /nfs/dbraw/zinc/81/85/63/601818563.db2.gz KPYDNJUMVSMUBW-UHFFFAOYSA-N -1 0 342.439 3.512 20 0 EHADRM Cn1c(SCc2ccc(C(=O)[O-])s2)nnc1-c1ccc(F)cc1 ZINC000833039840 601845498 /nfs/dbraw/zinc/84/54/98/601845498.db2.gz RXQCAKIRTOGQGV-UHFFFAOYSA-N -1 0 349.412 3.673 20 0 EHADRM Cc1cc(F)c(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)cc1F ZINC000832887242 601846634 /nfs/dbraw/zinc/84/66/34/601846634.db2.gz KIDBRXUAWDKBAC-UHFFFAOYSA-N -1 0 325.698 3.877 20 0 EHADRM C[C@H]1CN(c2nc(Cl)c(C(=O)[O-])s2)C[C@@H](c2ccsc2)O1 ZINC000828500638 601859386 /nfs/dbraw/zinc/85/93/86/601859386.db2.gz VUJFKYZSWHZJAN-CBAPKCEASA-N -1 0 344.845 3.523 20 0 EHADRM C[C@@H](NC(=O)NCc1cccc(C(=O)[O-])c1)C(C)(C)c1ccccc1 ZINC000827665517 601867028 /nfs/dbraw/zinc/86/70/28/601867028.db2.gz UIFJTDWCCCZUMG-CQSZACIVSA-N -1 0 340.423 3.550 20 0 EHADRM O=C([O-])N[C@H](C(=O)Nc1ccc(-c2ccccc2)cn1)c1ccccc1 ZINC000740693015 601882651 /nfs/dbraw/zinc/88/26/51/601882651.db2.gz XKPJBARBSVFBRN-SFHVURJKSA-N -1 0 347.374 3.696 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NCC2(Cc3ccccc3)CCC2)cc1 ZINC000833282469 601882967 /nfs/dbraw/zinc/88/29/67/601882967.db2.gz BCYGGADMUIEIGR-UHFFFAOYSA-N -1 0 338.407 3.919 20 0 EHADRM CC1(C)CN(C(=O)[C@@H](NC(=O)[O-])c2ccccc2)[C@H]1c1ccccc1 ZINC000739063191 601897776 /nfs/dbraw/zinc/89/77/76/601897776.db2.gz HVQGNURRCWNLDO-IRXDYDNUSA-N -1 0 338.407 3.605 20 0 EHADRM COc1ccc([C@H](C)CC(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])cc1 ZINC000262035020 601901855 /nfs/dbraw/zinc/90/18/55/601901855.db2.gz BSLZHJHXAHPGLV-JLSDUUJJSA-N -1 0 347.455 3.729 20 0 EHADRM CC[C@H](NC(=O)[O-])C(=O)N1CCC[C@H]1c1cccc2ccccc21 ZINC000739524617 601902128 /nfs/dbraw/zinc/90/21/28/601902128.db2.gz NVAITHSMCWDHAK-IRXDYDNUSA-N -1 0 326.396 3.550 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)c1cc(Cl)ccc1F ZINC000262074769 601902828 /nfs/dbraw/zinc/90/28/28/601902828.db2.gz GAGLLCIGEDCFDC-RISCZKNCSA-N -1 0 327.783 3.633 20 0 EHADRM O=C([O-])Nc1ccccc1OCC(=O)NCCCC1CCCCC1 ZINC000833287500 601903551 /nfs/dbraw/zinc/90/35/51/601903551.db2.gz JTUQDNLQSHWCHY-UHFFFAOYSA-N -1 0 334.416 3.632 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)c1cccc(C(F)F)c1 ZINC000263534217 601904112 /nfs/dbraw/zinc/90/41/12/601904112.db2.gz NTZNNSCAKUEARU-KBPBESRZSA-N -1 0 325.355 3.778 20 0 EHADRM Cc1cccc2[nH]cc(CC(=O)N[C@H]3CCCCCC[C@@H]3C(=O)[O-])c21 ZINC000262084631 601911106 /nfs/dbraw/zinc/91/11/06/601911106.db2.gz HGGQPBFNRDNFHR-HOTGVXAUSA-N -1 0 342.439 3.559 20 0 EHADRM Cc1oc(CSCC(=O)N(C)[C@@H]2CCCC[C@@H]2C)cc1C(=O)[O-] ZINC000833026319 601912274 /nfs/dbraw/zinc/91/22/74/601912274.db2.gz GEOYLBRBQALNCO-XHDPSFHLSA-N -1 0 339.457 3.557 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000736375955 601916419 /nfs/dbraw/zinc/91/64/19/601916419.db2.gz MLTBOPUSTUCWJU-KRWDZBQOSA-N -1 0 348.443 3.767 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)c1csc(-c2ccoc2)n1 ZINC000262147046 601916435 /nfs/dbraw/zinc/91/64/35/601916435.db2.gz SUPFFTFUILUWRO-QWHCGFSZSA-N -1 0 348.424 3.557 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)C1CCC(NC(=O)[O-])CC1 ZINC000738897252 601917126 /nfs/dbraw/zinc/91/71/26/601917126.db2.gz SGCSISSEMPGCPO-HPUBIQBYSA-N -1 0 346.471 3.685 20 0 EHADRM CC(C)c1noc(-c2ccnc(NCc3cccc(C(=O)[O-])c3)c2)n1 ZINC000827175137 601934107 /nfs/dbraw/zinc/93/41/07/601934107.db2.gz DEBGNTHEAAQMQD-UHFFFAOYSA-N -1 0 338.367 3.565 20 0 EHADRM Cc1ccncc1C(=O)O[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000832984879 601952475 /nfs/dbraw/zinc/95/24/75/601952475.db2.gz MDHHZDDLBWGBLM-CYBMUJFWSA-N -1 0 340.162 3.680 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)c1cccc(OC(F)(F)F)c1 ZINC000196359890 601956726 /nfs/dbraw/zinc/95/67/26/601956726.db2.gz IPBQCXPTXCFZLO-UHFFFAOYSA-N -1 0 325.242 3.536 20 0 EHADRM O=C([O-])Cc1cccc(NCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000738630814 601965542 /nfs/dbraw/zinc/96/55/42/601965542.db2.gz SBYPKMLVCCOZOM-UHFFFAOYSA-N -1 0 343.770 3.629 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cnc(-c3ccccc3)s2)cn1 ZINC000740711724 601992981 /nfs/dbraw/zinc/99/29/81/601992981.db2.gz KVFZKZQAXRLLSM-UHFFFAOYSA-N -1 0 340.364 3.547 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2ccc(SC(F)F)cc2)cn1 ZINC000740712505 601995219 /nfs/dbraw/zinc/99/52/19/601995219.db2.gz SWZDYRMYADBZGR-UHFFFAOYSA-N -1 0 339.323 3.739 20 0 EHADRM Cc1cc(C)c2cc(C(=O)Nc3ccc(NC(=O)[O-])nc3)sc2n1 ZINC000740063400 601995436 /nfs/dbraw/zinc/99/54/36/601995436.db2.gz IHWUTMSUTDKUFP-UHFFFAOYSA-N -1 0 342.380 3.650 20 0 EHADRM Cc1ccc(NC(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1OCCC(C)C ZINC000263135338 601996581 /nfs/dbraw/zinc/99/65/81/601996581.db2.gz YYDVUYNYQIROAV-IBGZPJMESA-N -1 0 348.443 3.748 20 0 EHADRM Cc1ccc2c(CC(=O)Nc3ccc(NC(=O)[O-])nc3)coc2c1C ZINC000740159463 601997692 /nfs/dbraw/zinc/99/76/92/601997692.db2.gz NOBSKBQPINELOG-UHFFFAOYSA-N -1 0 339.351 3.716 20 0 EHADRM CC[C@H](NC(=O)c1cccc(NC(=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000736920303 601998344 /nfs/dbraw/zinc/99/83/44/601998344.db2.gz QQIZBGWGSNQXQZ-ZDUSSCGKSA-N -1 0 338.367 3.534 20 0 EHADRM CC(C)(NC(=O)c1ccc(CNC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000738758038 601998966 /nfs/dbraw/zinc/99/89/66/601998966.db2.gz PFBFAINSXCDMIW-UHFFFAOYSA-N -1 0 346.814 3.773 20 0 EHADRM CC1(C)CCCN1C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000828064994 601999243 /nfs/dbraw/zinc/99/92/43/601999243.db2.gz HARSIVFRRCCKEG-UHFFFAOYSA-N -1 0 330.306 3.810 20 0 EHADRM COc1ccc(C2(C(=O)OCc3ccc(C(=O)[O-])s3)CCC2)cc1 ZINC000832264672 602006543 /nfs/dbraw/zinc/00/65/43/602006543.db2.gz FOQUQMBABSIAKI-UHFFFAOYSA-N -1 0 346.404 3.620 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)s1 ZINC000833314870 602008701 /nfs/dbraw/zinc/00/87/01/602008701.db2.gz KWNOHPTYKDJMIB-QWRGUYRKSA-N -1 0 338.331 3.571 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)s1 ZINC000833314912 602011871 /nfs/dbraw/zinc/01/18/71/602011871.db2.gz LWXXQGHHOYKCNQ-JQWIXIFHSA-N -1 0 338.331 3.571 20 0 EHADRM C[C@H](CCOc1ccccc1)C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000827422760 602012245 /nfs/dbraw/zinc/01/22/45/602012245.db2.gz SXKMLYQOVXPZFB-GFCCVEGCSA-N -1 0 334.393 3.595 20 0 EHADRM CC(C)[C@@H](OC(=O)c1cncc(-c2ccc(Cl)cc2)c1)C(=O)[O-] ZINC000826722275 602014793 /nfs/dbraw/zinc/01/47/93/602014793.db2.gz GDSWXNGLHQPBPD-OAHLLOKOSA-N -1 0 333.771 3.668 20 0 EHADRM CC[C@@H](C(=O)N1CC[C@](C)(C(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC000236955304 602014826 /nfs/dbraw/zinc/01/48/26/602014826.db2.gz WWWINPAGAZXIPL-CJNGLKHVSA-N -1 0 343.345 3.522 20 0 EHADRM Cc1cc(Cl)cc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c1 ZINC000322277620 602016627 /nfs/dbraw/zinc/01/66/27/602016627.db2.gz XLNGTPVYEGPPMU-CYBMUJFWSA-N -1 0 329.783 3.867 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)CCSc2ccccc2Cl)c1 ZINC000238134232 602021492 /nfs/dbraw/zinc/02/14/92/602021492.db2.gz KEVZTAKVJTYUNE-UHFFFAOYSA-N -1 0 349.839 3.837 20 0 EHADRM CC(C)C1(CNC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000826727720 602029127 /nfs/dbraw/zinc/02/91/27/602029127.db2.gz UMYABLWFKIEUMP-UHFFFAOYSA-N -1 0 344.333 3.961 20 0 EHADRM CCC[C@@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000829257026 602031530 /nfs/dbraw/zinc/03/15/30/602031530.db2.gz VUOMIKYAQQEYBQ-SNVBAGLBSA-N -1 0 326.343 3.707 20 0 EHADRM Cc1cc(CN(C)[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)no1 ZINC000566359494 602034060 /nfs/dbraw/zinc/03/40/60/602034060.db2.gz WZBHKZKZSQWEBV-ZDUSSCGKSA-N -1 0 329.183 3.548 20 0 EHADRM CC1(C)CCCC[C@H]1NC(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000828065156 602036572 /nfs/dbraw/zinc/03/65/72/602036572.db2.gz PJUJUYKECZZFHT-OAHLLOKOSA-N -1 0 334.416 3.630 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)cn1 ZINC000740712491 602037295 /nfs/dbraw/zinc/03/72/95/602037295.db2.gz RQGLLXWAUYIYCB-UHFFFAOYSA-N -1 0 330.731 3.559 20 0 EHADRM CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)C1 ZINC000830150498 602038858 /nfs/dbraw/zinc/03/88/58/602038858.db2.gz PTKNETYLCGZMCT-UONOGXRCSA-N -1 0 336.457 3.831 20 0 EHADRM CCC(CC)[C@H](NC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1cccs1 ZINC000263072731 602062742 /nfs/dbraw/zinc/06/27/42/602062742.db2.gz TZYGETHWIPDQCP-YOEHRIQHSA-N -1 0 338.473 3.732 20 0 EHADRM CCCCC[C@H](NC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccccc1 ZINC000829327101 602067872 /nfs/dbraw/zinc/06/78/72/602067872.db2.gz ULVQCJGGMOVVPA-LPHOPBHVSA-N -1 0 332.444 3.814 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)CSc2ccc3c(c2)CCC3)c1 ZINC000238123307 602073237 /nfs/dbraw/zinc/07/32/37/602073237.db2.gz XRBCEAQUHHPVAB-UHFFFAOYSA-N -1 0 341.432 3.533 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Nc2cccc(Br)c2)c1 ZINC000087845008 602084129 /nfs/dbraw/zinc/08/41/29/602084129.db2.gz DMIPQCRGRAWXFT-UHFFFAOYSA-N -1 0 349.184 3.720 20 0 EHADRM Cc1ncc(C(=O)O[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)s1 ZINC000833008347 602085351 /nfs/dbraw/zinc/08/53/51/602085351.db2.gz VTYLLFXWEKBQNH-LLVKDONJSA-N -1 0 346.191 3.741 20 0 EHADRM CCCOc1ccccc1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737830009 602086995 /nfs/dbraw/zinc/08/69/95/602086995.db2.gz AFLOLNDGNONDRN-UHFFFAOYSA-N -1 0 328.368 3.747 20 0 EHADRM CCO[C@@H](CC(=O)Oc1cc2ccccc2cc1C(=O)[O-])C(C)C ZINC000829913251 602101211 /nfs/dbraw/zinc/10/12/11/602101211.db2.gz VDAYHLYAIBWVJJ-INIZCTEOSA-N -1 0 330.380 3.895 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)COC/C=C\c1ccccc1 ZINC000833031110 602108113 /nfs/dbraw/zinc/10/81/13/602108113.db2.gz GSOAFQAJKDCOGG-YVMONPNESA-N -1 0 346.404 3.528 20 0 EHADRM CCCOc1cc(F)ccc1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000829528420 602108607 /nfs/dbraw/zinc/10/86/07/602108607.db2.gz XSOQHARZTXPFCF-UHFFFAOYSA-N -1 0 346.358 3.886 20 0 EHADRM CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](C)CC(=O)[O-] ZINC000827247497 602130738 /nfs/dbraw/zinc/13/07/38/602130738.db2.gz NHPVVOIUYYZQPH-NSHDSACASA-N -1 0 331.334 3.553 20 0 EHADRM Cc1cc(CNC(=O)[C@@H](C)CC(=O)[O-])ccc1Oc1ccc(F)cc1 ZINC000832882236 602132846 /nfs/dbraw/zinc/13/28/46/602132846.db2.gz DORNVSRSDOCAAO-ZDUSSCGKSA-N -1 0 345.370 3.653 20 0 EHADRM CC[C@@](C)(NC(=O)c1cc(SC)c(Cl)cc1Cl)C(=O)[O-] ZINC000262077794 602133591 /nfs/dbraw/zinc/13/35/91/602133591.db2.gz DSAKMRLOOHRUOY-CYBMUJFWSA-N -1 0 336.240 3.698 20 0 EHADRM CSc1cc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c(Cl)cc1Cl ZINC000128533777 602136678 /nfs/dbraw/zinc/13/66/78/602136678.db2.gz BPTXEEMUWZJOQJ-MRVPVSSYSA-N -1 0 348.251 3.652 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000827874413 602137898 /nfs/dbraw/zinc/13/78/98/602137898.db2.gz ZRCRXNNCHXPVGR-NSHDSACASA-N -1 0 338.379 3.982 20 0 EHADRM Cc1cccc(C(=O)NCc2c3ccccc3sc2C(=O)[O-])c1F ZINC000832962826 602143373 /nfs/dbraw/zinc/14/33/73/602143373.db2.gz AMCUWYXTMBNPBF-UHFFFAOYSA-N -1 0 343.379 3.977 20 0 EHADRM O=C([O-])CN(C(=O)c1cc(C(F)(F)F)ccc1F)c1ccccc1 ZINC000325389294 602149449 /nfs/dbraw/zinc/14/94/49/602149449.db2.gz MBSCYPRQTVATFM-UHFFFAOYSA-N -1 0 341.260 3.576 20 0 EHADRM Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)[C@H](C)CC(=O)[O-] ZINC000832907424 602153748 /nfs/dbraw/zinc/15/37/48/602153748.db2.gz VFVACQQJARBVCN-NEPJUHHUSA-N -1 0 346.452 3.715 20 0 EHADRM C[C@H](NC(=O)[O-])C(=O)Nc1ccccc1-c1nc2ccccc2s1 ZINC000738994148 602170220 /nfs/dbraw/zinc/17/02/20/602170220.db2.gz JKSUJOMQPZAJHU-JTQLQIEISA-N -1 0 341.392 3.558 20 0 EHADRM Cc1c(C(=O)Nc2ccccc2NC(=O)[O-])cnn1-c1ccccc1 ZINC000740042696 602177326 /nfs/dbraw/zinc/17/73/26/602177326.db2.gz YYBZUWBOMNCHJP-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM O=C([O-])c1csc(NC(=O)COc2cccc3ccccc32)c1 ZINC000191349771 602179251 /nfs/dbraw/zinc/17/92/51/602179251.db2.gz IPPTXZPIMXHQDG-UHFFFAOYSA-N -1 0 327.361 3.617 20 0 EHADRM Cc1ccc2ccccc2c1CSCc1noc(CCC(=O)[O-])n1 ZINC000832960879 602179619 /nfs/dbraw/zinc/17/96/19/602179619.db2.gz USCYOOMOQBVHRC-UHFFFAOYSA-N -1 0 342.420 3.982 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000191373559 602182424 /nfs/dbraw/zinc/18/24/24/602182424.db2.gz PEMVSVNUDWZJKD-LLVKDONJSA-N -1 0 333.409 3.662 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2ccccc2N2CCCCC2)c1 ZINC000833342484 602185454 /nfs/dbraw/zinc/18/54/54/602185454.db2.gz AAMWBUHDSQVHQS-UHFFFAOYSA-N -1 0 330.409 3.689 20 0 EHADRM CCOc1ccc(OCCCC(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000519576485 602185815 /nfs/dbraw/zinc/18/58/15/602185815.db2.gz UBTFILWQYPWZCR-UHFFFAOYSA-N -1 0 349.408 3.643 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000649353179 602187553 /nfs/dbraw/zinc/18/75/53/602187553.db2.gz BUVYNALORRFTTR-XKQJLSEDSA-N -1 0 340.423 3.643 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2cccc(Oc3ccncc3)c2)c1 ZINC000833342526 602188375 /nfs/dbraw/zinc/18/83/75/602188375.db2.gz CNOARASNMYREQR-UHFFFAOYSA-N -1 0 340.360 3.886 20 0 EHADRM Cc1c(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cccc1C(F)(F)F ZINC000191563585 602189796 /nfs/dbraw/zinc/18/97/96/602189796.db2.gz IIMAMPBZVIKMCE-QWRGUYRKSA-N -1 0 329.318 3.843 20 0 EHADRM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739057744 602201146 /nfs/dbraw/zinc/20/11/46/602201146.db2.gz VRPKHTBUMGRFQU-LLVKDONJSA-N -1 0 348.786 3.514 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)NCC(C)(C)[C@H]2CCCCO2)cc1 ZINC000830513724 602201404 /nfs/dbraw/zinc/20/14/04/602201404.db2.gz GUFHRHVVDQAFAZ-OAHLLOKOSA-N -1 0 349.431 3.518 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)CCSc2ccccc2)c1 ZINC000740676847 602203354 /nfs/dbraw/zinc/20/33/54/602203354.db2.gz VFRDYZZXTAIKIX-UHFFFAOYSA-N -1 0 330.409 3.575 20 0 EHADRM C[C@H]1CC[C@H](C)N1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000828213593 602228700 /nfs/dbraw/zinc/22/87/00/602228700.db2.gz AQJNNAZJCNOQSS-STQMWFEESA-N -1 0 342.395 3.708 20 0 EHADRM CC(C)(C)c1nc(C(=O)Nc2cc(NC(=O)[O-])ccc2F)cs1 ZINC000738728018 602234309 /nfs/dbraw/zinc/23/43/09/602234309.db2.gz NIGBLWQJHNSYLA-UHFFFAOYSA-N -1 0 337.376 3.922 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)Nc1cc(F)cc(F)c1)c1ccccc1 ZINC000826102509 602235364 /nfs/dbraw/zinc/23/53/64/602235364.db2.gz AHIXBCYNNFADAC-OAHLLOKOSA-N -1 0 348.349 3.938 20 0 EHADRM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCO[C@@H](c2ccsc2)C1 ZINC000576352659 602240461 /nfs/dbraw/zinc/24/04/61/602240461.db2.gz BMDKHFYIOZWHCS-HUUCEWRRSA-N -1 0 337.828 3.601 20 0 EHADRM O=C([O-])N1CCN(C(=O)c2ccc(C(F)F)cc2)c2ccccc2C1 ZINC000740525984 602242321 /nfs/dbraw/zinc/24/23/21/602242321.db2.gz IWIXWNONBROMLJ-UHFFFAOYSA-N -1 0 346.333 3.765 20 0 EHADRM CC[C@](NC(=O)c1ccc(Cl)cc1C)(C(=O)[O-])c1ccccc1 ZINC000439894846 602248291 /nfs/dbraw/zinc/24/82/91/602248291.db2.gz OPJAFLNZDSTRCH-GOSISDBHSA-N -1 0 331.799 3.768 20 0 EHADRM CC[C@H](NC(=O)[O-])C(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1 ZINC000739534117 602249445 /nfs/dbraw/zinc/24/94/45/602249445.db2.gz HQSHISVNPZGHPS-GUYCJALGSA-N -1 0 341.411 3.844 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N3CCN(C(=O)[O-])Cc4ccccc43)cc2c1 ZINC000740160700 602251435 /nfs/dbraw/zinc/25/14/35/602251435.db2.gz VMDUKSBKCQQLBG-UHFFFAOYSA-N -1 0 349.390 3.617 20 0 EHADRM CC[C@@H](OC(=O)[C@@H](C)CC(=O)[O-])c1ccc(Br)cc1 ZINC000829004541 602259050 /nfs/dbraw/zinc/25/90/50/602259050.db2.gz LABXYLAJUVNACA-JOYOIKCWSA-N -1 0 329.190 3.554 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)s1 ZINC000237640077 602260574 /nfs/dbraw/zinc/26/05/74/602260574.db2.gz GKDXASKDKRJLCO-UHFFFAOYSA-N -1 0 341.388 3.925 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000827873393 602265013 /nfs/dbraw/zinc/26/50/13/602265013.db2.gz HYVKFNJUJFSFLM-NSHDSACASA-N -1 0 326.414 3.617 20 0 EHADRM C[C@H](COc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000827524673 602270605 /nfs/dbraw/zinc/27/06/05/602270605.db2.gz KDJZDPMGMNVEQH-MLGOLLRUSA-N -1 0 348.782 3.724 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000829009341 602271366 /nfs/dbraw/zinc/27/13/66/602271366.db2.gz BVBRXTIQBVENSB-JKSUJKDBSA-N -1 0 338.375 3.623 20 0 EHADRM CCC1(CNC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)CCCC1 ZINC000829065559 602278595 /nfs/dbraw/zinc/27/85/95/602278595.db2.gz PZLRINCRLPLQAB-UHFFFAOYSA-N -1 0 333.432 3.888 20 0 EHADRM O=C([O-])c1c(NCc2cccs2)ncnc1NCc1cccs1 ZINC000833295050 602294309 /nfs/dbraw/zinc/29/43/09/602294309.db2.gz XFDYYGVVQHATSW-UHFFFAOYSA-N -1 0 346.437 3.522 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N[C@@H](c2ccccc2)c2cccnc2)c1 ZINC000740029021 602295990 /nfs/dbraw/zinc/29/59/90/602295990.db2.gz ODGSQPXGMPJXLX-SFHVURJKSA-N -1 0 347.374 3.691 20 0 EHADRM Cc1c(Cl)cccc1NC(=S)NCCCN(C(=O)[O-])C(C)C ZINC000740045977 602336050 /nfs/dbraw/zinc/33/60/50/602336050.db2.gz MFLHZAYJMXXPHZ-UHFFFAOYSA-N -1 0 343.880 3.713 20 0 EHADRM CC(C)[C@H](CC(=O)N(C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC000826681894 602339357 /nfs/dbraw/zinc/33/93/57/602339357.db2.gz TTXHCKWZSSHUSY-ZDUSSCGKSA-N -1 0 332.425 3.634 20 0 EHADRM Cc1ccc(SCC(=O)Nc2ccc(C(=O)[O-])c(F)c2)c(C)c1 ZINC000776647440 602361620 /nfs/dbraw/zinc/36/16/20/602361620.db2.gz PCROPZXLHBOZIC-UHFFFAOYSA-N -1 0 333.384 3.872 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)Nc2cc(C)ccc2Cl)C(=O)[O-])cc1 ZINC000832924729 602368009 /nfs/dbraw/zinc/36/80/09/602368009.db2.gz YNWXJABRGWYDOU-CQSZACIVSA-N -1 0 346.814 3.947 20 0 EHADRM COc1ccccc1C(C)(C)NC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000832588662 602371828 /nfs/dbraw/zinc/37/18/28/602371828.db2.gz FYIADIVRMDXSLU-UHFFFAOYSA-N -1 0 346.358 3.589 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)Nc1cc(C(=O)[O-])n(C)c1)C(C)C ZINC000832982467 602378980 /nfs/dbraw/zinc/37/89/80/602378980.db2.gz TXUMTOIETORWQA-MRXNPFEDSA-N -1 0 329.400 3.551 20 0 EHADRM CCC[C@@H](NC(=O)[O-])C(=O)N(C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000739302128 602381849 /nfs/dbraw/zinc/38/18/49/602381849.db2.gz IBMHQLMSUVFGKL-ZWNOBZJWSA-N -1 0 346.349 3.661 20 0 EHADRM CC(C)(NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccc(F)cc1 ZINC000826621484 602382916 /nfs/dbraw/zinc/38/29/16/602382916.db2.gz XISNWFJEDXRROX-UHFFFAOYSA-N -1 0 334.322 3.720 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCc2coc3ccccc23)cc1F ZINC000833148447 602384793 /nfs/dbraw/zinc/38/47/93/602384793.db2.gz SDRMEKFSWHXGCA-UHFFFAOYSA-N -1 0 328.299 3.592 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc(Oc2ccccc2)o1)C1CCCC1 ZINC000621575571 602400685 /nfs/dbraw/zinc/40/06/85/602400685.db2.gz FJKWLBAFWKYACU-UHFFFAOYSA-N -1 0 329.352 3.541 20 0 EHADRM O=C([O-])c1ccoc1CN[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000833335934 602401757 /nfs/dbraw/zinc/40/17/57/602401757.db2.gz GWPTYJRMUQGSFU-QGZVFWFLSA-N -1 0 342.782 3.905 20 0 EHADRM O=C([O-])N[C@H](CCc1nc(-c2ccsc2)no1)c1ccccc1 ZINC000740540300 602405837 /nfs/dbraw/zinc/40/58/37/602405837.db2.gz NYNVIPUMCWHABH-CYBMUJFWSA-N -1 0 329.381 3.740 20 0 EHADRM CC(C)N(CCc1nc(-c2c(Cl)cccc2Cl)no1)C(=O)[O-] ZINC000738848678 602405906 /nfs/dbraw/zinc/40/59/06/602405906.db2.gz PPZHMVUDVCUTIH-UHFFFAOYSA-N -1 0 344.198 3.974 20 0 EHADRM O=C([O-])N[C@H](CCc1nc(Cc2cccs2)no1)c1ccccc1 ZINC000740539415 602406274 /nfs/dbraw/zinc/40/62/74/602406274.db2.gz JHIHYYOWXAYEDR-CQSZACIVSA-N -1 0 343.408 3.663 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc([C@@H](C)Cc2cccc(F)c2)n1 ZINC000738815486 602407458 /nfs/dbraw/zinc/40/74/58/602407458.db2.gz GVHNCQOARAUATA-FZMZJTMJSA-N -1 0 335.379 3.910 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(-c2cc(-c3cccs3)on2)n1 ZINC000738817736 602408407 /nfs/dbraw/zinc/40/84/07/602408407.db2.gz UEJCAWCSKWEUSQ-VIFPVBQESA-N -1 0 348.384 3.808 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(C(F)(F)c2ccccc2)n1 ZINC000738817972 602410392 /nfs/dbraw/zinc/41/03/92/602410392.db2.gz WHRZJQOITXBQBB-LLVKDONJSA-N -1 0 325.315 3.565 20 0 EHADRM COc1ccc(O[C@H](C)c2nc([C@@H](CC(C)C)NC(=O)[O-])no2)cc1 ZINC000739933716 602411196 /nfs/dbraw/zinc/41/11/96/602411196.db2.gz ZSRJPZOPHUUTLM-BXUZGUMPSA-N -1 0 349.387 3.573 20 0 EHADRM Cc1cc(-c2nc(C3(NC(=O)[O-])CCCC3)no2)c(C)n1C(C)C ZINC000740050120 602411480 /nfs/dbraw/zinc/41/14/80/602411480.db2.gz UUOIXJNODKUPRB-UHFFFAOYSA-N -1 0 332.404 3.773 20 0 EHADRM CSc1ccc(C)c(-c2nc(C3(NC(=O)[O-])CCCC3)no2)c1 ZINC000740016802 602411556 /nfs/dbraw/zinc/41/15/56/602411556.db2.gz WKILFYQRIFUPKY-UHFFFAOYSA-N -1 0 333.413 3.804 20 0 EHADRM C[C@H](NC(=O)[O-])c1nc(-c2ccc(OCc3ccccc3)cc2)no1 ZINC000739018520 602415082 /nfs/dbraw/zinc/41/50/82/602415082.db2.gz OUSFYTNGBWZMKV-LBPRGKRZSA-N -1 0 339.351 3.644 20 0 EHADRM Cc1ccc(CN(C)C(=O)CC[C@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000740123465 602454302 /nfs/dbraw/zinc/45/43/02/602454302.db2.gz UCWISEALOYXFAZ-SFHVURJKSA-N -1 0 340.423 3.743 20 0 EHADRM CCOc1ccccc1C(=O)Nc1ccccc1CN(CC)C(=O)[O-] ZINC000739507141 602459927 /nfs/dbraw/zinc/45/99/27/602459927.db2.gz UKVDWLBKTXIGFG-UHFFFAOYSA-N -1 0 342.395 3.838 20 0 EHADRM C[C@H](NC(=O)[O-])C1CCN(C(=O)Nc2ccccc2C(C)(C)C)CC1 ZINC000739004469 602464786 /nfs/dbraw/zinc/46/47/86/602464786.db2.gz BLLHRVPUQIELEM-ZDUSSCGKSA-N -1 0 347.459 3.884 20 0 EHADRM Cc1ccc2c(Cl)c(C(=O)NCC[C@H](C)NC(=O)[O-])sc2c1 ZINC000740155597 602468579 /nfs/dbraw/zinc/46/85/79/602468579.db2.gz SFTCODKSMADGHH-VIFPVBQESA-N -1 0 340.832 3.639 20 0 EHADRM CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739705565 602481620 /nfs/dbraw/zinc/48/16/20/602481620.db2.gz QZKSAJUNUBTZHM-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N(Cc2ccccc2F)C2CC2)ccc1F ZINC000740692693 602482468 /nfs/dbraw/zinc/48/24/68/602482468.db2.gz FKAMRVMCQKSVHB-UHFFFAOYSA-N -1 0 346.333 3.860 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CCCc3cc(F)ccc32)ccc1F ZINC000740695306 602484301 /nfs/dbraw/zinc/48/43/01/602484301.db2.gz JDMCYWZBRUJIQI-UHFFFAOYSA-N -1 0 332.306 3.648 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2ccc3ncsc3c2)ccc1F ZINC000740698081 602485230 /nfs/dbraw/zinc/48/52/30/602485230.db2.gz LMQTTWWXSDHUDC-UHFFFAOYSA-N -1 0 331.328 3.778 20 0 EHADRM Cc1cc(C(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)c(C)s1 ZINC000740058046 602487338 /nfs/dbraw/zinc/48/73/38/602487338.db2.gz BAXVDPKIUYKDPX-UHFFFAOYSA-N -1 0 330.409 3.653 20 0 EHADRM C[C@@H](CN(C)C(=O)c1ccc(F)c(NC(=O)[O-])c1)c1ccccc1 ZINC000738915345 602487324 /nfs/dbraw/zinc/48/73/24/602487324.db2.gz VHBMPHXTTCWPAI-LBPRGKRZSA-N -1 0 330.359 3.791 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2sccc2SC(F)F)cn1 ZINC000740713219 602488340 /nfs/dbraw/zinc/48/83/40/602488340.db2.gz QAFNZQSWMPMHTG-UHFFFAOYSA-N -1 0 345.352 3.800 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)[C@H]3CCCCN3C(=O)[O-])cc2)cs1 ZINC000740206845 602493558 /nfs/dbraw/zinc/49/35/58/602493558.db2.gz GEBHQQVZLUBRED-OAHLLOKOSA-N -1 0 345.424 3.590 20 0 EHADRM Cc1nc2cc(NC(=O)c3ccc(F)c(NC(=O)[O-])c3)ccc2o1 ZINC000740229615 602494927 /nfs/dbraw/zinc/49/49/27/602494927.db2.gz LOLGGEMLHNPGNI-UHFFFAOYSA-N -1 0 329.287 3.618 20 0 EHADRM O=C([O-])N1CCC(CC(=O)N(Cc2ccco2)c2ccccc2)CC1 ZINC000740498403 602497003 /nfs/dbraw/zinc/49/70/03/602497003.db2.gz XGIPFTRKRALSCS-UHFFFAOYSA-N -1 0 342.395 3.593 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000740712137 602499681 /nfs/dbraw/zinc/49/96/81/602499681.db2.gz UMOBJEWHIGWMRW-UHFFFAOYSA-N -1 0 335.157 3.791 20 0 EHADRM CCOc1ccc(CCC(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000739502158 602503337 /nfs/dbraw/zinc/50/33/37/602503337.db2.gz NXLQLKGSMNHQER-UHFFFAOYSA-N -1 0 328.368 3.747 20 0 EHADRM COc1ccc([C@H](C)C(=O)Nc2cc(OC)ccc2NC(=O)[O-])cc1 ZINC000739896706 602567844 /nfs/dbraw/zinc/56/78/44/602567844.db2.gz OWCJIJFWFQAKTJ-NSHDSACASA-N -1 0 344.367 3.536 20 0 EHADRM Cc1ccc(F)c(NC(=O)N2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)c1 ZINC000740126754 602581678 /nfs/dbraw/zinc/58/16/78/602581678.db2.gz FDTOJVFXFFSYQL-XJKSGUPXSA-N -1 0 349.406 3.520 20 0 EHADRM CC(C)CCc1ccc(NC(=O)N2CC[C@@H](CN(C)C(=O)[O-])C2)cc1 ZINC000738820528 602593466 /nfs/dbraw/zinc/59/34/66/602593466.db2.gz GXDVYAKNIDUZSX-INIZCTEOSA-N -1 0 347.459 3.739 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NC2(c3ccc(F)cc3)CC2)cc1 ZINC000738665517 602599437 /nfs/dbraw/zinc/59/94/37/602599437.db2.gz OTTKTEVQFAQLJR-UHFFFAOYSA-N -1 0 329.331 3.726 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NCc2cccc3cccnc32)cc1 ZINC000740710388 602600442 /nfs/dbraw/zinc/60/04/42/602600442.db2.gz CYQNPHSINDIIAL-UHFFFAOYSA-N -1 0 336.351 3.646 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NCCCCc2ccccc2)cc1 ZINC000740710791 602602636 /nfs/dbraw/zinc/60/26/36/602602636.db2.gz MHDPCDAQYUPIBC-UHFFFAOYSA-N -1 0 327.384 3.921 20 0 EHADRM CCN(C(=O)Nc1cccc(OCCNC(=O)[O-])c1)C1CCCCC1 ZINC000739380280 602605000 /nfs/dbraw/zinc/60/50/00/602605000.db2.gz IWWPPSITPKOKIO-UHFFFAOYSA-N -1 0 349.431 3.520 20 0 EHADRM CCCCN(C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-])C1CC1 ZINC000739326812 602605873 /nfs/dbraw/zinc/60/58/73/602605873.db2.gz LXWBWJJWXXMWBY-UHFFFAOYSA-N -1 0 331.416 3.914 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NC[C@H]2CCc3ccccc32)cc1 ZINC000738664995 602605968 /nfs/dbraw/zinc/60/59/68/602605968.db2.gz JDGUODRSSFZJDE-CYBMUJFWSA-N -1 0 325.368 3.628 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)NCCc3cccs3)ccc21 ZINC000740446247 602607084 /nfs/dbraw/zinc/60/70/84/602607084.db2.gz HVOVUYFXFZOSBL-UHFFFAOYSA-N -1 0 345.424 3.543 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)o1 ZINC000740111863 602610236 /nfs/dbraw/zinc/61/02/36/602610236.db2.gz AOEKVWQAPAOQLK-LBPRGKRZSA-N -1 0 343.383 3.507 20 0 EHADRM CC(C)(Oc1ccc(F)cc1)C(=O)Nc1ccccc1NC(=O)[O-] ZINC000738757475 602625245 /nfs/dbraw/zinc/62/52/45/602625245.db2.gz KNCFRPFSLXIZMN-UHFFFAOYSA-N -1 0 332.331 3.712 20 0 EHADRM CC(C)SCC(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000738869850 602643502 /nfs/dbraw/zinc/64/35/02/602643502.db2.gz MIQTWICPUJAKJD-UHFFFAOYSA-N -1 0 336.335 3.875 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000740712314 602644925 /nfs/dbraw/zinc/64/49/25/602644925.db2.gz NDJRQVZVONUDKJ-UHFFFAOYSA-N -1 0 326.139 3.731 20 0 EHADRM CCCO[C@H]1CCCN(C(=O)Nc2ccc(NC(=O)[O-])cc2)CC1 ZINC000737028383 602654086 /nfs/dbraw/zinc/65/40/86/602654086.db2.gz REGASKRLFUPCCO-HNNXBMFYSA-N -1 0 335.404 3.590 20 0 EHADRM C[C@@H](C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])c1ccccc1F ZINC000738633223 602684969 /nfs/dbraw/zinc/68/49/69/602684969.db2.gz XGPRFRRBIVQWCK-LLVKDONJSA-N -1 0 328.343 3.608 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)Cc1ccc(NC(=O)[O-])cc1)C1CC1 ZINC000740185729 602705634 /nfs/dbraw/zinc/70/56/34/602705634.db2.gz WHJNVPQLLHGZTO-LJQANCHMSA-N -1 0 338.407 3.895 20 0 EHADRM CC1(C)C[C@@H]1CNC(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000739063665 602724683 /nfs/dbraw/zinc/72/46/83/602724683.db2.gz CISLUAIKJIITSL-MRVPVSSYSA-N -1 0 345.321 3.963 20 0 EHADRM C[C@@H](CC(=O)Oc1cccc(CNC(=O)[O-])c1)c1ccccc1F ZINC000738894412 602729132 /nfs/dbraw/zinc/72/91/32/602729132.db2.gz INDJDOFUDDXEPB-LBPRGKRZSA-N -1 0 331.343 3.693 20 0 EHADRM C[C@H]1CCC[C@@H](OCC(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])C1 ZINC000739094913 602732309 /nfs/dbraw/zinc/73/23/09/602732309.db2.gz ITJWFJLDSGPZNT-XJKSGUPXSA-N -1 0 346.427 3.651 20 0 EHADRM CC(C)(CCC(=O)Nc1cc(Cl)cc2cccnc21)NC(=O)[O-] ZINC000738739612 602787712 /nfs/dbraw/zinc/78/77/12/602787712.db2.gz AHTADJINJCZBMD-UHFFFAOYSA-N -1 0 335.791 3.653 20 0 EHADRM CC(C)(CCC(=O)N1CCCCC[C@@H]1c1ccccc1)NC(=O)[O-] ZINC000738740932 602793128 /nfs/dbraw/zinc/79/31/28/602793128.db2.gz WPZVXMKKPQRJLR-MRXNPFEDSA-N -1 0 332.444 3.957 20 0 EHADRM CC[C@H](CC(=O)N[C@H](C)[C@@H]1CCCN(C(=O)[O-])C1)c1ccc(C)cc1 ZINC000739248132 602800588 /nfs/dbraw/zinc/80/05/88/602800588.db2.gz CIJUQHYOHVLBPV-JFIYKMOQSA-N -1 0 346.471 3.773 20 0 EHADRM C[C@H](C(=O)Nc1cccc2[nH]ccc21)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823724208 602809775 /nfs/dbraw/zinc/80/97/75/602809775.db2.gz OLJHBWDMIAKGAR-YVEFUNNKSA-N -1 0 337.379 3.751 20 0 EHADRM C[C@@H]1c2ccc(F)cc2CCN1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736840126 602816256 /nfs/dbraw/zinc/81/62/56/602816256.db2.gz KCLKYZLNAQRFDL-LLVKDONJSA-N -1 0 328.343 3.675 20 0 EHADRM C[C@@H](CNC(=O)c1cccc(NC(=O)[O-])c1)Oc1ccccc1Cl ZINC000736605601 602818667 /nfs/dbraw/zinc/81/86/67/602818667.db2.gz KXMKLFVRFGCDGS-NSHDSACASA-N -1 0 348.786 3.627 20 0 EHADRM CCN(C(=O)Nc1ccc(NC(=O)[O-])cc1)[C@H](C)c1cccnc1 ZINC000737058992 602824583 /nfs/dbraw/zinc/82/45/83/602824583.db2.gz YMKIHYZNZXOCNB-GFCCVEGCSA-N -1 0 328.372 3.787 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N2CCC([C@H](C)NC(=O)[O-])CC2)cc1 ZINC000739544495 602835610 /nfs/dbraw/zinc/83/56/10/602835610.db2.gz IVPNXBAKTZTFAV-CABCVRRESA-N -1 0 346.471 3.637 20 0 EHADRM O=C([O-])N1CCC[C@H]1[C@H]1CCCCN1C(=O)c1coc2ccccc12 ZINC000740519019 602846586 /nfs/dbraw/zinc/84/65/86/602846586.db2.gz RWCGPNVEWOOWEO-CVEARBPZSA-N -1 0 342.395 3.570 20 0 EHADRM CC[C@H](NC(=O)c1ccc(C)c(NC(=O)[O-])c1)c1nc(C)cs1 ZINC000826614116 602864082 /nfs/dbraw/zinc/86/40/82/602864082.db2.gz ZQIYUHQJHHJGPK-LBPRGKRZSA-N -1 0 333.413 3.731 20 0 EHADRM CCCCCC[C@H](C)C(=O)N1CCC([C@@H]2CCCN2C(=O)[O-])CC1 ZINC000739328977 602868290 /nfs/dbraw/zinc/86/82/90/602868290.db2.gz GUNRDIBIXJFQCF-RDJZCZTQSA-N -1 0 338.492 3.974 20 0 EHADRM O=C([O-])NCCC(=O)Nc1cccc(CSCc2ccccc2)c1 ZINC000738654989 602879794 /nfs/dbraw/zinc/87/97/94/602879794.db2.gz GXVDFYJVVIETFA-UHFFFAOYSA-N -1 0 344.436 3.716 20 0 EHADRM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)Nc1ccc(Cl)cc1C ZINC000739968635 602887744 /nfs/dbraw/zinc/88/77/44/602887744.db2.gz NHAYABVSXLGXFM-OAHLLOKOSA-N -1 0 348.786 3.604 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)c2ccc(OC3CCC3)cc2)c1 ZINC000832724573 602906705 /nfs/dbraw/zinc/90/67/05/602906705.db2.gz FYSBXYOABGBMSS-UHFFFAOYSA-N -1 0 340.379 3.638 20 0 EHADRM C[C@H](NC(=O)[O-])C(=O)Nc1cccc(CSCc2ccccc2)c1 ZINC000738995699 602911637 /nfs/dbraw/zinc/91/16/37/602911637.db2.gz VMMAVRLVJWCDTG-ZDUSSCGKSA-N -1 0 344.436 3.715 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCC[C@H]1NC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000738963895 602936496 /nfs/dbraw/zinc/93/64/96/602936496.db2.gz YQDPYGCSNZPPJS-GMOODISLSA-N -1 0 345.226 3.607 20 0 EHADRM COc1ccc(NC(=O)N2CCC[C@H]2c2ccco2)cc1NC(=O)[O-] ZINC000739919492 602940685 /nfs/dbraw/zinc/94/06/85/602940685.db2.gz OWQLCORUMSKCGC-ZDUSSCGKSA-N -1 0 345.355 3.747 20 0 EHADRM CCc1ccc(NC(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])cc1 ZINC000739541086 602950526 /nfs/dbraw/zinc/95/05/26/602950526.db2.gz DWASAKRCCYEKBJ-UHFFFAOYSA-N -1 0 325.368 3.934 20 0 EHADRM CS[C@@H](C(=O)Nc1cccc(CN(C)C(=O)[O-])c1)c1ccccc1 ZINC000740001361 602954813 /nfs/dbraw/zinc/95/48/13/602954813.db2.gz PSQQSJQIKFBNTC-MRXNPFEDSA-N -1 0 344.436 3.839 20 0 EHADRM CC(C)(C)c1nc(CC(=O)Oc2ccc(NC(=O)[O-])cc2)cs1 ZINC000736303404 602960744 /nfs/dbraw/zinc/96/07/44/602960744.db2.gz IVWCJYRWLLEVOD-UHFFFAOYSA-N -1 0 334.397 3.679 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-] ZINC000739364602 602963089 /nfs/dbraw/zinc/96/30/89/602963089.db2.gz OCKQFMNVIQNPIT-NEPJUHHUSA-N -1 0 340.807 3.504 20 0 EHADRM C[C@H](CC(=O)Oc1ccc(NC(=O)[O-])cc1)C(=O)c1ccccc1 ZINC000736560814 602963377 /nfs/dbraw/zinc/96/33/77/602963377.db2.gz FBKVXZKJEFCZDU-GFCCVEGCSA-N -1 0 327.336 3.591 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)c2cc(-c3cccc(F)c3)no2)cc1 ZINC000738670972 602967163 /nfs/dbraw/zinc/96/71/63/602967163.db2.gz XXCUFFWLDZMQAD-UHFFFAOYSA-N -1 0 342.282 3.790 20 0 EHADRM CCc1nc(C)c([C@@H](C)OC(=O)Cc2ccc(NC(=O)[O-])cc2)s1 ZINC000739557070 602971657 /nfs/dbraw/zinc/97/16/57/602971657.db2.gz RREPWCGUVBAQII-LLVKDONJSA-N -1 0 348.424 3.951 20 0 EHADRM Cc1ccc(C(=O)N2CCc3cccc(F)c3[C@H]2C)cc1NC(=O)[O-] ZINC000830198949 602974095 /nfs/dbraw/zinc/97/40/95/602974095.db2.gz PUSFRICLTPHYDO-GFCCVEGCSA-N -1 0 342.370 3.984 20 0 EHADRM Cc1cc(OCc2ccccc2)ccc1NC(=O)CCCNC(=O)[O-] ZINC000738475375 602982235 /nfs/dbraw/zinc/98/22/35/602982235.db2.gz YUXCNARXRXGGOB-UHFFFAOYSA-N -1 0 342.395 3.560 20 0 EHADRM CC1(C)CN(C(=O)c2cc3ccccc3cc2NC(=O)[O-])CCCO1 ZINC000739064638 602983681 /nfs/dbraw/zinc/98/36/81/602983681.db2.gz UKFXRWHKTWDGRW-UHFFFAOYSA-N -1 0 342.395 3.571 20 0 EHADRM Cc1ccc(O[C@H](C)CNC(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1 ZINC000830399593 603014270 /nfs/dbraw/zinc/01/42/70/603014270.db2.gz CBCGWLUKHQQZPX-CQSZACIVSA-N -1 0 342.395 3.591 20 0 EHADRM O=C([O-])NC1CCC(C(=O)NC(C2CCCC2)C2CCCC2)CC1 ZINC000740554714 603015406 /nfs/dbraw/zinc/01/54/06/603015406.db2.gz ZBROTRZIEHUNAD-UHFFFAOYSA-N -1 0 336.476 3.678 20 0 EHADRM C[C@@H](CN(C)C(=O)[O-])c1noc(/C=C/c2nc3ccccc3s2)n1 ZINC000738912454 603017570 /nfs/dbraw/zinc/01/75/70/603017570.db2.gz YXMIECNKULRFHH-JARNTUPDSA-N -1 0 344.396 3.563 20 0 EHADRM CCc1ccccc1NC(=O)CNc1cc(NC(=O)[O-])ccc1F ZINC000739551044 603019614 /nfs/dbraw/zinc/01/96/14/603019614.db2.gz WAIWPHFGTBXSBM-UHFFFAOYSA-N -1 0 331.347 3.529 20 0 EHADRM O=C([O-])N[C@H](CNC(=O)CC/C=C\c1ccccc1)c1ccccc1 ZINC000740539414 603022614 /nfs/dbraw/zinc/02/26/14/603022614.db2.gz UNSLVHYHUGFCLM-RLGIIYIFSA-N -1 0 338.407 3.605 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000740576567 603035882 /nfs/dbraw/zinc/03/58/82/603035882.db2.gz YBKOWHUBTOOCCK-DLBZAZTESA-N -1 0 345.443 3.806 20 0 EHADRM Cc1cc([C@@H]2CCCN2C(=O)Nc2cc(NC(=O)[O-])ccc2F)on1 ZINC000740078611 603038188 /nfs/dbraw/zinc/03/81/88/603038188.db2.gz DURCOATUGWNERB-ZDUSSCGKSA-N -1 0 348.334 3.581 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)c2cc(Cl)c(Cl)[nH]2)cc1 ZINC000827914568 603050307 /nfs/dbraw/zinc/05/03/07/603050307.db2.gz ZQSJNALIZPCVCD-UHFFFAOYSA-N -1 0 329.139 3.655 20 0 EHADRM CC[C@@H](C)[C@H](C(=O)NC1CCC(NC(=O)[O-])CC1)c1ccccc1 ZINC000739227914 603067973 /nfs/dbraw/zinc/06/79/73/603067973.db2.gz UQROOIIPDJBMMQ-MFNRNEDNSA-N -1 0 332.444 3.511 20 0 EHADRM CCCCCOc1ccc(C(=O)NC2CCC(NC(=O)[O-])CC2)cc1 ZINC000739327073 603074067 /nfs/dbraw/zinc/07/40/67/603074067.db2.gz QPTJAMSEMBHALC-UHFFFAOYSA-N -1 0 348.443 3.564 20 0 EHADRM C[C@@H](NC(=O)[C@@H](CNC(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC000738954705 603079440 /nfs/dbraw/zinc/07/94/40/603079440.db2.gz ZTSZZYADDPQAOS-WBMJQRKESA-N -1 0 346.814 3.569 20 0 EHADRM C[C@H](NC(=O)[C@H](CNC(=O)[O-])c1ccccc1)c1ccccc1Cl ZINC000738954484 603079456 /nfs/dbraw/zinc/07/94/56/603079456.db2.gz XIMYMCFTBHGYOD-SWLSCSKDSA-N -1 0 346.814 3.569 20 0 EHADRM C[C@@H](NC(=O)[C@H](CNC(=O)[O-])c1ccccc1)c1ccc(Cl)cc1 ZINC000738952680 603079640 /nfs/dbraw/zinc/07/96/40/603079640.db2.gz OQEUKUWKPIGMKQ-MLGOLLRUSA-N -1 0 346.814 3.569 20 0 EHADRM C[C@H]1CN(C(=O)c2cccc(NC(=O)[O-])c2)c2cc(Cl)ccc2O1 ZINC000826040696 603097912 /nfs/dbraw/zinc/09/79/12/603097912.db2.gz CBMAHYBKSRDZRY-JTQLQIEISA-N -1 0 346.770 3.858 20 0 EHADRM COc1ccc(OCCNc2ccc([C@H](C)NC(=O)[O-])cc2)cc1 ZINC000739927750 603103880 /nfs/dbraw/zinc/10/38/80/603103880.db2.gz AEOJRUIQAZQRGY-ZDUSSCGKSA-N -1 0 330.384 3.515 20 0 EHADRM Cc1ccccc1[C@@H](C)NC(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000740182862 603142306 /nfs/dbraw/zinc/14/23/06/603142306.db2.gz JFJBNHYQYSYAER-CQSZACIVSA-N -1 0 341.411 3.988 20 0 EHADRM CCCN(CC1CCCCC1)C(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000739358192 603150945 /nfs/dbraw/zinc/15/09/45/603150945.db2.gz LOHLKZRLNPILDT-UHFFFAOYSA-N -1 0 339.480 3.567 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)N2CCCCC[C@@H]2c2ccccc2)C1 ZINC000740565535 603174935 /nfs/dbraw/zinc/17/49/35/603174935.db2.gz RCZSTSLHHGXOTI-KZNAEPCWSA-N -1 0 344.455 3.957 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)Nc2cccc(-c3nccs3)c2)C1 ZINC000740570476 603176832 /nfs/dbraw/zinc/17/68/32/603176832.db2.gz IGUFMPAVFSLCCS-BXUZGUMPSA-N -1 0 345.424 3.575 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@H](C(=O)Nc2cccc(-c3nccs3)c2)C1 ZINC000740570480 603176913 /nfs/dbraw/zinc/17/69/13/603176913.db2.gz IGUFMPAVFSLCCS-FZMZJTMJSA-N -1 0 345.424 3.575 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000825443158 603180996 /nfs/dbraw/zinc/18/09/96/603180996.db2.gz ZCEBOALARXEYJF-MRVPVSSYSA-N -1 0 338.285 3.685 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2cncc3ccccc32)cc1 ZINC000825448100 603187281 /nfs/dbraw/zinc/18/72/81/603187281.db2.gz BRNPAGLUCUGYTD-GFCCVEGCSA-N -1 0 335.363 3.816 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)c(Cl)n1 ZINC000830231177 603190821 /nfs/dbraw/zinc/19/08/21/603190821.db2.gz ZYBFXFKNIBJMJS-JTQLQIEISA-N -1 0 333.775 3.624 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2F)C1 ZINC000740576696 603194082 /nfs/dbraw/zinc/19/40/82/603194082.db2.gz VDYZKZWMVKJTMO-PSASIEDQSA-N -1 0 348.296 3.609 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@H](C(=O)Nc2ccc(-c3ccccc3)cn2)C1 ZINC000740568465 603195592 /nfs/dbraw/zinc/19/55/92/603195592.db2.gz FSVWWNLPQYVBIP-HOCLYGCPSA-N -1 0 339.395 3.514 20 0 EHADRM CC(=O)c1cccc(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)c1 ZINC000738603111 603200641 /nfs/dbraw/zinc/20/06/41/603200641.db2.gz UEECRTLZWOXWEA-UHFFFAOYSA-N -1 0 332.743 3.885 20 0 EHADRM C[C@H](NC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000823714665 603210029 /nfs/dbraw/zinc/21/00/29/603210029.db2.gz QMODDHKZTCUKMY-GRDNDAEWSA-N -1 0 326.396 3.509 20 0 EHADRM C[C@H](C(=O)Nc1ccccc1Cl)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823725025 603211143 /nfs/dbraw/zinc/21/11/43/603211143.db2.gz WAIAXZZGRAXNNK-XHDPSFHLSA-N -1 0 332.787 3.924 20 0 EHADRM CCOc1ccc(NC(=O)[C@@H](C)[C@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000827432909 603211301 /nfs/dbraw/zinc/21/13/01/603211301.db2.gz DMMMTFOVHQYUPQ-GUYCJALGSA-N -1 0 342.395 3.669 20 0 EHADRM CC(C)(CCC(=O)Nc1ccc(CC(F)(F)F)cc1)NC(=O)[O-] ZINC000738744827 603216767 /nfs/dbraw/zinc/21/67/67/603216767.db2.gz RTYZGJRFSVVUAE-UHFFFAOYSA-N -1 0 332.322 3.556 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)CCC(C)(C)NC(=O)[O-] ZINC000739084314 603224938 /nfs/dbraw/zinc/22/49/38/603224938.db2.gz QEWCQEABRAVSDY-FMKPAKJESA-N -1 0 332.444 3.606 20 0 EHADRM Cc1ccccc1C1CC(N(C(=O)CC(C)(C)NC(=O)[O-])C2CC2)C1 ZINC000740182378 603226510 /nfs/dbraw/zinc/22/65/10/603226510.db2.gz VDZHDFDKDOSYLM-UHFFFAOYSA-N -1 0 344.455 3.668 20 0 EHADRM O=C([O-])N1CC[C@@H](C(=O)Nc2ccccc2Oc2cccc(F)c2)C1 ZINC000740477155 603229777 /nfs/dbraw/zinc/22/97/77/603229777.db2.gz WBAJNSSIMRACRB-GFCCVEGCSA-N -1 0 344.342 3.556 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C2CCC(NC(=O)[O-])CC2)o1 ZINC000830284183 603230804 /nfs/dbraw/zinc/23/08/04/603230804.db2.gz ZQHQPLCCZFWLCU-MFNGEMCRSA-N -1 0 348.443 3.714 20 0 EHADRM CCOc1ccc(NC(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1OC ZINC000827440263 603238645 /nfs/dbraw/zinc/23/86/45/603238645.db2.gz ZXLQLTYFQZKNMG-UHFFFAOYSA-N -1 0 344.367 3.745 20 0 EHADRM COC[C@@H](NC(=O)c1ccc(NC(=O)[O-])cc1Cl)c1ccccc1 ZINC000739813838 603239298 /nfs/dbraw/zinc/23/92/98/603239298.db2.gz WMJGQBVFTLXRRF-OAHLLOKOSA-N -1 0 348.786 3.547 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2Cl)c2ccccc2O1 ZINC000739169624 603247737 /nfs/dbraw/zinc/24/77/37/603247737.db2.gz RKPGCRMJADLPOQ-SNVBAGLBSA-N -1 0 346.770 3.858 20 0 EHADRM CC(C)c1ccccc1NC(=O)NC[C@H](NC(=O)[O-])c1ccccc1 ZINC000824476157 603248971 /nfs/dbraw/zinc/24/89/71/603248971.db2.gz GSTWESMOLYHGGY-KRWDZBQOSA-N -1 0 341.411 3.940 20 0 EHADRM CC(C)c1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc1 ZINC000824470155 603249324 /nfs/dbraw/zinc/24/93/24/603249324.db2.gz MLZSLKJMUIDGEI-MQVJKMGUSA-N -1 0 331.416 3.605 20 0 EHADRM Cc1ccc(C(=O)N2CCc3sccc3[C@@H]2C)cc1NC(=O)[O-] ZINC000830198741 603249708 /nfs/dbraw/zinc/24/97/08/603249708.db2.gz NKVMELBFZNDHOE-NSHDSACASA-N -1 0 330.409 3.906 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCC[C@H]2c2ccncc2)c(Cl)c1 ZINC000740698342 603272361 /nfs/dbraw/zinc/27/23/61/603272361.db2.gz GJBCJUMTFBFVIK-HNNXBMFYSA-N -1 0 345.786 3.802 20 0 EHADRM O=C([O-])N[C@@H](C(=O)Nc1ccc2[nH]ccc2c1)c1cccc(Cl)c1 ZINC000740534695 603272386 /nfs/dbraw/zinc/27/23/86/603272386.db2.gz VECCTVYDQWIBRH-OAHLLOKOSA-N -1 0 343.770 3.769 20 0 EHADRM CC(C)N(CCC(=O)Nc1ccc(CC(F)(F)F)cc1)C(=O)[O-] ZINC000738843126 603276799 /nfs/dbraw/zinc/27/67/99/603276799.db2.gz FDLSGOWYWHZNIX-UHFFFAOYSA-N -1 0 332.322 3.508 20 0 EHADRM CCC[C@@H](CCc1ccccc1)NC(=O)C1CCC(NC(=O)[O-])CC1 ZINC000739305027 603279419 /nfs/dbraw/zinc/27/94/19/603279419.db2.gz KUKOYSSIXZRXGO-ADKAHSJRSA-N -1 0 346.471 3.731 20 0 EHADRM COc1cc(NC(=O)N([C@@H](C)C2CC2)C2CC2)ccc1NC(=O)[O-] ZINC000829159396 603281937 /nfs/dbraw/zinc/28/19/37/603281937.db2.gz RLRQNWRFILMGSY-JTQLQIEISA-N -1 0 333.388 3.580 20 0 EHADRM COc1cc(NC(=O)N2CCC(C(C)C)CC2)ccc1NC(=O)[O-] ZINC000829158870 603284122 /nfs/dbraw/zinc/28/41/22/603284122.db2.gz KNBIRQTYUZRLPJ-UHFFFAOYSA-N -1 0 335.404 3.685 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)cc1NC(=O)[O-] ZINC000830230314 603297929 /nfs/dbraw/zinc/29/79/29/603297929.db2.gz DMGCWJCFYIOBNJ-UHFFFAOYSA-N -1 0 336.351 3.727 20 0 EHADRM CC(C)CCC(=O)N(c1ccccc1F)C1CCN(C(=O)[O-])CC1 ZINC000738820225 603298912 /nfs/dbraw/zinc/29/89/12/603298912.db2.gz NNMDVLUSUPFAPN-UHFFFAOYSA-N -1 0 336.407 3.737 20 0 EHADRM O=C([O-])N1CCC(N(C(=O)C2CCCCC2)c2ccccc2F)CC1 ZINC000740499575 603300115 /nfs/dbraw/zinc/30/01/15/603300115.db2.gz ANQRFGMWNGEGSV-UHFFFAOYSA-N -1 0 348.418 3.881 20 0 EHADRM CC(C)C[C@@H](C(=O)N1CCC([C@@H](C)NC(=O)[O-])CC1)c1ccccc1 ZINC000738802586 603304457 /nfs/dbraw/zinc/30/44/57/603304457.db2.gz BONLCZKVYJKRTO-CRAIPNDOSA-N -1 0 346.471 3.711 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2cccc(CNC(=O)[O-])c2)s1 ZINC000740113267 603322532 /nfs/dbraw/zinc/32/25/32/603322532.db2.gz KZDHYXGZJNXHLS-NSHDSACASA-N -1 0 333.413 3.707 20 0 EHADRM CC(C)(C)C1CCN(C(=O)Nc2cccc(CNC(=O)[O-])c2)CC1 ZINC000738676399 603327687 /nfs/dbraw/zinc/32/76/87/603327687.db2.gz PYRRNIQUZIPKMX-UHFFFAOYSA-N -1 0 333.432 3.744 20 0 EHADRM CC(C)[C@H]1CCCN(C(=O)Nc2cccc(CNC(=O)[O-])c2)CC1 ZINC000738802603 603327939 /nfs/dbraw/zinc/32/79/39/603327939.db2.gz XCMRHCNIKHSVCD-HNNXBMFYSA-N -1 0 333.432 3.744 20 0 EHADRM CN(Cc1ccccc1NC(=O)N(C)Cc1ccccc1F)C(=O)[O-] ZINC000739716576 603334355 /nfs/dbraw/zinc/33/43/55/603334355.db2.gz XIIFYBCPUPJFES-UHFFFAOYSA-N -1 0 345.374 3.599 20 0 EHADRM CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000739268791 603335476 /nfs/dbraw/zinc/33/54/76/603335476.db2.gz UKZBPLAXTPIAJL-UKRRQHHQSA-N -1 0 333.432 3.887 20 0 EHADRM CC[C@]1(C)CCCN(C(=O)Nc2cccc(CN(C)C(=O)[O-])c2)C1 ZINC000826645960 603336336 /nfs/dbraw/zinc/33/63/36/603336336.db2.gz XKTJTWSOGKMGKH-GOSISDBHSA-N -1 0 333.432 3.840 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N([C@H](C)C1CC1)C1CC1)C(=O)[O-] ZINC000827182811 603336379 /nfs/dbraw/zinc/33/63/79/603336379.db2.gz RMUAKKNCBKUKNU-CYBMUJFWSA-N -1 0 345.443 3.981 20 0 EHADRM C[C@@H](NC(=O)Nc1ccccc1CN(C)C(=O)[O-])c1cccs1 ZINC000738976211 603336990 /nfs/dbraw/zinc/33/69/90/603336990.db2.gz FPZGJKVFWINJRA-LLVKDONJSA-N -1 0 333.413 3.741 20 0 EHADRM Cc1ccc(C(=O)NCCOc2c(C)cccc2C)cc1NC(=O)[O-] ZINC000830220576 603340530 /nfs/dbraw/zinc/34/05/30/603340530.db2.gz YRYSTRPDEQOIFG-UHFFFAOYSA-N -1 0 342.395 3.511 20 0 EHADRM CCN(Cc1ccccc1NC(=O)NC[C@H]1CC=CCC1)C(=O)[O-] ZINC000739442884 603352649 /nfs/dbraw/zinc/35/26/49/603352649.db2.gz OAAAYIWAMOSARG-AWEZNQCLSA-N -1 0 331.416 3.664 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NCc2ccc3ccccc3n2)cc1 ZINC000738663740 603355566 /nfs/dbraw/zinc/35/55/66/603355566.db2.gz AXTQCRVBDKOEKK-UHFFFAOYSA-N -1 0 336.351 3.646 20 0 EHADRM CC(C)C[C@H]1CCCN1C(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000738819622 603356092 /nfs/dbraw/zinc/35/60/92/603356092.db2.gz HAVRQUNFABZPFF-MRXNPFEDSA-N -1 0 333.432 3.839 20 0 EHADRM Cc1cc(CNC(=O)Nc2cccc(CN(C)C(=O)[O-])c2)ccc1F ZINC000740073614 603359631 /nfs/dbraw/zinc/35/96/31/603359631.db2.gz QGPYPHDTMBRPNT-UHFFFAOYSA-N -1 0 345.374 3.566 20 0 EHADRM CN(Cc1cccc(NC(=O)NCc2ccc(Cl)cc2)c1)C(=O)[O-] ZINC000739711445 603361328 /nfs/dbraw/zinc/36/13/28/603361328.db2.gz AXNMOGSPYUKMFG-UHFFFAOYSA-N -1 0 347.802 3.772 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N(C)Cc2cccs2)cc1 ZINC000825423712 603363056 /nfs/dbraw/zinc/36/30/56/603363056.db2.gz SXHGWLSXDSASQW-LLVKDONJSA-N -1 0 333.413 3.741 20 0 EHADRM Cc1cccc(CN(C)C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)c1 ZINC000830497422 603369714 /nfs/dbraw/zinc/36/97/14/603369714.db2.gz GRKBEIUAFPKCSU-AWEZNQCLSA-N -1 0 341.411 3.988 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(C3CCCCC3)cc2)CC[C@@H]1NC(=O)[O-] ZINC000739171999 603373325 /nfs/dbraw/zinc/37/33/25/603373325.db2.gz VYZNPEMRTGAFPC-KDOFPFPSSA-N -1 0 344.455 3.853 20 0 EHADRM CC[C@H](c1nnc(SC[C@H]2CCN(C(=O)[O-])C2)o1)c1ccccc1 ZINC000739262826 603373839 /nfs/dbraw/zinc/37/38/39/603373839.db2.gz GHKOMKUWGIFRFN-JSGCOSHPSA-N -1 0 347.440 3.704 20 0 EHADRM Cc1nc([C@H](C)NC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)cs1 ZINC000830709715 603375769 /nfs/dbraw/zinc/37/57/69/603375769.db2.gz PFVMLNVBNDWCQC-ZJUUUORDSA-N -1 0 348.428 3.663 20 0 EHADRM Cc1ccc(NC(=S)NC[C@@H](NC(=O)[O-])c2ccccc2)cc1C ZINC000740139892 603378985 /nfs/dbraw/zinc/37/89/85/603378985.db2.gz XSWSYDCEBXJWKU-MRXNPFEDSA-N -1 0 343.452 3.599 20 0 EHADRM CN(Cc1cccc(NC(=O)C(C)(C)c2cccs2)c1)C(=O)[O-] ZINC000739707358 603380517 /nfs/dbraw/zinc/38/05/17/603380517.db2.gz OTVFXHOYOKTMDD-UHFFFAOYSA-N -1 0 332.425 3.774 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)NCC(C2CC2)C2CC2)cc1 ZINC000825434164 603388323 /nfs/dbraw/zinc/38/83/23/603388323.db2.gz NPIBFWFZIDMRGQ-NSHDSACASA-N -1 0 331.416 3.573 20 0 EHADRM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)C1CCN(C(=O)[O-])CC1 ZINC000737722634 603389313 /nfs/dbraw/zinc/38/93/13/603389313.db2.gz XABIOCVPXLAGJQ-OAHLLOKOSA-N -1 0 344.455 3.766 20 0 EHADRM CC(C)C1CCN(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)CC1 ZINC000825423008 603390230 /nfs/dbraw/zinc/39/02/30/603390230.db2.gz MBUGVMCPTJQNGQ-CYBMUJFWSA-N -1 0 333.432 3.915 20 0 EHADRM O=C([O-])NC1(c2noc([C@H]3C[C@H]3c3cccc(F)c3F)n2)CCCC1 ZINC000832227082 603416326 /nfs/dbraw/zinc/41/63/26/603416326.db2.gz ATYORFFCGDENGV-QWRGUYRKSA-N -1 0 349.337 3.656 20 0 EHADRM Cc1ccc(CCNC(=O)c2ccc(C)c(NC(=O)[O-])c2)c(C)c1 ZINC000830302399 603417203 /nfs/dbraw/zinc/41/72/03/603417203.db2.gz HVFIWFMIOPTENA-UHFFFAOYSA-N -1 0 326.396 3.674 20 0 EHADRM C[C@@H](C(=O)Nc1cccc(F)c1F)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823724701 603420196 /nfs/dbraw/zinc/42/01/96/603420196.db2.gz SNNOIFGRFPCZIX-BMIGLBTASA-N -1 0 334.322 3.548 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H](c2nc(-c3nccc4ccccc43)no2)C1 ZINC000832331722 603424277 /nfs/dbraw/zinc/42/42/77/603424277.db2.gz IRWYVHWDNUOXDH-QWHCGFSZSA-N -1 0 338.367 3.579 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000825083354 603427929 /nfs/dbraw/zinc/42/79/29/603427929.db2.gz PSASILJOSGAWPD-INTQDDNPSA-N -1 0 345.226 3.607 20 0 EHADRM O=C([O-])N1CCCN(C(=O)c2csc(C3CC3)n2)c2ccccc21 ZINC000740521338 603432222 /nfs/dbraw/zinc/43/22/22/603432222.db2.gz DVXLYIAVAKZXHK-UHFFFAOYSA-N -1 0 343.408 3.555 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)C/C=C/c2cccc(F)c2)cc1 ZINC000832841877 603457139 /nfs/dbraw/zinc/45/71/39/603457139.db2.gz RIOKCEVXNHWOPX-DUXPYHPUSA-N -1 0 342.370 3.678 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1)c1cc(Cl)ccc1Cl ZINC000825083379 603459400 /nfs/dbraw/zinc/45/94/00/603459400.db2.gz PVKKQPGYBLWMAH-ATZCPNFKSA-N -1 0 345.226 3.607 20 0 EHADRM Cc1ccc(NC(=S)NCCc2ccc(NC(=O)[O-])cc2)c(C)c1 ZINC000738628300 603461025 /nfs/dbraw/zinc/46/10/25/603461025.db2.gz NUADHELEMJUCRL-UHFFFAOYSA-N -1 0 343.452 3.922 20 0 EHADRM Cc1ccc(NC(=O)NCCc2ccc(NC(=O)[O-])cc2)c(C)c1 ZINC000738627910 603461419 /nfs/dbraw/zinc/46/14/19/603461419.db2.gz VZYTXPICWBMLFZ-UHFFFAOYSA-N -1 0 327.384 3.758 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)cc1Cl ZINC000824418373 603465210 /nfs/dbraw/zinc/46/52/10/603465210.db2.gz LXIIDMQNRDLSJR-WDEREUQCSA-N -1 0 340.807 3.502 20 0 EHADRM Cn1c(Cl)c(Cl)cc1C(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000830969768 603478751 /nfs/dbraw/zinc/47/87/51/603478751.db2.gz YOUPGPYTKDCRQH-UHFFFAOYSA-N -1 0 329.139 3.641 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Oc2cccc3c2CCCC3=O)cc1 ZINC000832838614 603487597 /nfs/dbraw/zinc/48/75/97/603487597.db2.gz KLIJRMPQLGGUQG-UHFFFAOYSA-N -1 0 325.320 3.515 20 0 EHADRM CCN(C(=O)c1cc(Cl)c(NC(=O)[O-])cc1OC)[C@H](C)C(C)C ZINC000826980274 603532795 /nfs/dbraw/zinc/53/27/95/603532795.db2.gz SNIPVQJKVRXUIO-SNVBAGLBSA-N -1 0 342.823 3.945 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)Nc2ccc(NC3CCCCC3)cc2)C1 ZINC000832287114 603541958 /nfs/dbraw/zinc/54/19/58/603541958.db2.gz MDKQEKDKJYVDBH-SUMWQHHRSA-N -1 0 345.443 3.806 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000825861882 603585091 /nfs/dbraw/zinc/58/50/91/603585091.db2.gz ZNYLOUXMHHQQLT-INWMFGNUSA-N -1 0 331.416 3.639 20 0 EHADRM COc1ccc(NC(=O)c2cccc3cnccc32)cc1NC(=O)[O-] ZINC000829474712 603610120 /nfs/dbraw/zinc/61/01/20/603610120.db2.gz MTNDSITWABNBRK-UHFFFAOYSA-N -1 0 337.335 3.586 20 0 EHADRM Cc1nc2ccccc2n1Cc1nc(-c2cccc(NC(=O)[O-])c2)no1 ZINC000830793399 603642543 /nfs/dbraw/zinc/64/25/43/603642543.db2.gz PQGIWRKLEOQCJF-UHFFFAOYSA-N -1 0 349.350 3.533 20 0 EHADRM Cc1cc([C@H](C)NC(=O)Cc2ccc(NC(=O)[O-])cc2)ccc1F ZINC000829981636 603714361 /nfs/dbraw/zinc/71/43/61/603714361.db2.gz YPZIDAOATVOAFK-LBPRGKRZSA-N -1 0 330.359 3.644 20 0 EHADRM CCN(CC1CCN(C(=O)[C@H](c2ccccc2)C(C)C)CC1)C(=O)[O-] ZINC000827055657 603751470 /nfs/dbraw/zinc/75/14/70/603751470.db2.gz WEQOUQZSFNAHTM-SFHVURJKSA-N -1 0 346.471 3.665 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(NC(=O)[O-])cc1)c1ccc(F)cc1F ZINC000738988982 603804642 /nfs/dbraw/zinc/80/46/42/603804642.db2.gz QGQCHEIOJLJAPO-VIFPVBQESA-N -1 0 335.310 3.937 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N(C)[C@@H](C)C1(C)CC1)C(=O)[O-] ZINC000827181849 603812533 /nfs/dbraw/zinc/81/25/33/603812533.db2.gz BAERSHHHMJMPLG-ZDUSSCGKSA-N -1 0 333.432 3.839 20 0 EHADRM Cc1ccccc1[C@H](C)N(C)C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000830552941 603835762 /nfs/dbraw/zinc/83/57/62/603835762.db2.gz FGCGYFAPTVGQSM-XYTVBORESA-N -1 0 344.455 3.826 20 0 EHADRM CCCc1ccccc1NC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000826954936 603837757 /nfs/dbraw/zinc/83/77/57/603837757.db2.gz WOFVVUZMWLXBFZ-VHRNVKJDSA-N -1 0 330.428 3.889 20 0 EHADRM C[C@H](OC(=O)[C@H](NC(=O)[O-])c1ccccc1)c1cc(F)ccc1F ZINC000825602067 603840886 /nfs/dbraw/zinc/84/08/86/603840886.db2.gz GVKMRKOYERKNRN-ZUZCIYMTSA-N -1 0 335.306 3.578 20 0 EHADRM O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)N1CCC[C@H]1c1ccsc1)C2 ZINC000831300003 603844597 /nfs/dbraw/zinc/84/45/97/603844597.db2.gz SFYPEYYWRSZHCN-WDVRLDOZSA-N -1 0 348.468 3.723 20 0 EHADRM Cc1nc(CCCc2nc(-c3cccc(NC(=O)[O-])c3)no2)cs1 ZINC000830741284 603881136 /nfs/dbraw/zinc/88/11/36/603881136.db2.gz CMPOWHCDZKCLIF-UHFFFAOYSA-N -1 0 344.396 3.767 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000832296851 603941416 /nfs/dbraw/zinc/94/14/16/603941416.db2.gz LTWHZKKHLFASCD-UONOGXRCSA-N -1 0 340.379 3.854 20 0 EHADRM O=C([O-])N[C@H]1CC[C@@H](C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000832296849 603941558 /nfs/dbraw/zinc/94/15/58/603941558.db2.gz LTWHZKKHLFASCD-KGLIPLIRSA-N -1 0 340.379 3.854 20 0 EHADRM CC[C@H](NC(=O)[O-])C(=O)Nc1cccc(COc2ccccc2)c1C ZINC000827532641 603966262 /nfs/dbraw/zinc/96/62/62/603966262.db2.gz ZFAWIMRSWRLOGO-INIZCTEOSA-N -1 0 342.395 3.559 20 0 EHADRM CCC[C@@H]1CCCN(C(=O)Nc2ccc(NC(=O)[O-])c(OC)c2)C1 ZINC000826773843 603984271 /nfs/dbraw/zinc/98/42/71/603984271.db2.gz AKRNZXLXCIDSOD-GFCCVEGCSA-N -1 0 335.404 3.829 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)[C@@H]2C[C@]23CCc2ccccc23)cc1 ZINC000827900067 603991134 /nfs/dbraw/zinc/99/11/34/603991134.db2.gz OIDCEEZVTFUETC-PXNSSMCTSA-N -1 0 337.375 3.610 20 0 EHADRM CC[C@]1(C)CCCN(C(=O)Nc2cccc3c2CCN3C(=O)[O-])C1 ZINC000826644057 603996811 /nfs/dbraw/zinc/99/68/11/603996811.db2.gz DWQDGVCBXROGNL-GOSISDBHSA-N -1 0 331.416 3.771 20 0 EHADRM CCS[C@H]1CCC[C@@H]1NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000827504068 604032591 /nfs/dbraw/zinc/03/25/91/604032591.db2.gz QRTIGNTYWBQGMM-STQMWFEESA-N -1 0 342.848 3.834 20 0 EHADRM Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)c1cccc(NC(=O)[O-])c1 ZINC000830446631 604033869 /nfs/dbraw/zinc/03/38/69/604033869.db2.gz SDOHWDPNTGOXLS-LBPRGKRZSA-N -1 0 326.352 3.513 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)[C@H](C)Sc2ccccn2)cc1 ZINC000825622494 604043577 /nfs/dbraw/zinc/04/35/77/604043577.db2.gz DDUWGNBDPQRFQB-NEPJUHHUSA-N -1 0 345.424 3.530 20 0 EHADRM Cc1cc(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)c(F)cc1F ZINC000829965877 604058353 /nfs/dbraw/zinc/05/83/53/604058353.db2.gz NOODURQFQPBFMO-JTQLQIEISA-N -1 0 334.322 3.854 20 0 EHADRM Cc1ccc(C(=O)NCc2ccnc3ccccc23)cc1NC(=O)[O-] ZINC000830220660 604062663 /nfs/dbraw/zinc/06/26/63/604062663.db2.gz ZGWLIODPSIYYLW-UHFFFAOYSA-N -1 0 335.363 3.563 20 0 EHADRM CCc1cccc(CC)c1NC(=O)N1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000827596532 604065311 /nfs/dbraw/zinc/06/53/11/604065311.db2.gz VEDQDXXZZHUUOZ-BBRMVZONSA-N -1 0 347.459 3.711 20 0 EHADRM Cc1cccc(NC(=O)N2CCC[C@H]([C@H](C)NC(=O)[O-])C2)c1Cl ZINC000830517468 604094785 /nfs/dbraw/zinc/09/47/85/604094785.db2.gz YDRMKVJNQCESGD-RYUDHWBXSA-N -1 0 339.823 3.548 20 0 EHADRM CCCc1ccccc1NC(=O)N(C)C1CCC(NC(=O)[O-])CC1 ZINC000826955040 604123641 /nfs/dbraw/zinc/12/36/41/604123641.db2.gz XZLMQLJZDWIVCF-UHFFFAOYSA-N -1 0 333.432 3.682 20 0 EHADRM CCS[C@@H]1CCC[C@H]1NC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000827503366 604125895 /nfs/dbraw/zinc/12/58/95/604125895.db2.gz IOQYFYRXFICDBA-UKRRQHHQSA-N -1 0 349.456 3.523 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)N(C)C1CCC(NC(=O)[O-])CC1 ZINC000824425551 604127359 /nfs/dbraw/zinc/12/73/59/604127359.db2.gz RKACVNASPORYIW-UHFFFAOYSA-N -1 0 349.431 3.516 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2ccc(F)c(F)c2F)cc1 ZINC000825442934 604155678 /nfs/dbraw/zinc/15/56/78/604155678.db2.gz TWFZKDGOGBKKNV-QMMMGPOBSA-N -1 0 338.285 3.685 20 0 EHADRM C[C@H](CNc1ccccc1)NC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000824980122 604273178 /nfs/dbraw/zinc/27/31/78/604273178.db2.gz LDFLDPUOVMBGNJ-LLVKDONJSA-N -1 0 346.362 3.538 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@H](C)c1cccc(OC(C)C)c1 ZINC000832844783 604282762 /nfs/dbraw/zinc/28/27/62/604282762.db2.gz KQIRHTDOLQHYCX-GFCCVEGCSA-N -1 0 344.411 3.608 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cc(C3CCCCCC3)[nH]n2)cc1F ZINC000833149827 604285319 /nfs/dbraw/zinc/28/53/19/604285319.db2.gz AGQCBIZYYULGCS-UHFFFAOYSA-N -1 0 345.374 3.937 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N(C)c1ccc(C(C)(C)C)cc1 ZINC000832845797 604290335 /nfs/dbraw/zinc/29/03/35/604290335.db2.gz AYOVOKXMNRIBMU-UHFFFAOYSA-N -1 0 328.412 3.904 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N(C)CC(C)(C)c1ccc(C)cc1 ZINC000738258296 604326645 /nfs/dbraw/zinc/32/66/45/604326645.db2.gz MQQIPLOXPPHEDC-UHFFFAOYSA-N -1 0 342.439 3.688 20 0 EHADRM CCc1csc(NC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])n1 ZINC000830299155 604349373 /nfs/dbraw/zinc/34/93/73/604349373.db2.gz KQNSBBQCBIAXNN-CYBMUJFWSA-N -1 0 347.440 3.679 20 0 EHADRM O=C([O-])c1ccc(OC(=O)Cc2cc(F)c(F)cc2F)c(Cl)c1 ZINC000833117158 604377362 /nfs/dbraw/zinc/37/73/62/604377362.db2.gz OTWXWAXCAYTHHF-UHFFFAOYSA-N -1 0 344.672 3.604 20 0 EHADRM COc1cc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])ccc1C ZINC000831871343 604381716 /nfs/dbraw/zinc/38/17/16/604381716.db2.gz OUJOTPDRYSUWBE-QGZVFWFLSA-N -1 0 341.407 3.586 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1ccc(-c2ccco2)s1 ZINC000832524082 604389329 /nfs/dbraw/zinc/38/93/29/604389329.db2.gz PXPIEVQVCBMUCI-UHFFFAOYSA-N -1 0 344.344 3.934 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1cnc(C2CC2)s1)c1ccccc1 ZINC000826106308 604389923 /nfs/dbraw/zinc/38/99/23/604389923.db2.gz XTUQEUBYQVHKDU-CQSZACIVSA-N -1 0 344.436 3.602 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000826106356 604389943 /nfs/dbraw/zinc/38/99/43/604389943.db2.gz YSZDVJCAMCBXIS-OAHLLOKOSA-N -1 0 331.799 3.922 20 0 EHADRM CCCCC[C@@H](NC(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000829333922 604390877 /nfs/dbraw/zinc/39/08/77/604390877.db2.gz VDBFTOFDGWSBFH-GFCCVEGCSA-N -1 0 335.297 3.608 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1c(F)cccc1F)c1ccccc1 ZINC000826103128 604392426 /nfs/dbraw/zinc/39/24/26/604392426.db2.gz NKIZLPZJSMQLBS-OAHLLOKOSA-N -1 0 333.334 3.547 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000829010021 604393219 /nfs/dbraw/zinc/39/32/19/604393219.db2.gz ZCGFZSNTDAUIPH-SJORKVTESA-N -1 0 347.455 3.693 20 0 EHADRM C[C@H](CCSc1ccccc1)OC(=O)c1ccc(C(=O)[O-])nc1 ZINC000827422290 604425450 /nfs/dbraw/zinc/42/54/50/604425450.db2.gz OKYSNPUVEUUISY-GFCCVEGCSA-N -1 0 331.393 3.508 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)CCc1ccccc1 ZINC000829026182 604429004 /nfs/dbraw/zinc/42/90/04/604429004.db2.gz HJIXEQMAESFCGV-SFHVURJKSA-N -1 0 325.408 3.684 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)/C=C\c2ccnc(Cl)c2)c1 ZINC000833095770 604430799 /nfs/dbraw/zinc/43/07/99/604430799.db2.gz XDFIFQOYLORSSB-RJRFIUFISA-N -1 0 337.162 3.739 20 0 EHADRM CCc1ccccc1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000431666125 604436651 /nfs/dbraw/zinc/43/66/51/604436651.db2.gz RWYQJFRYOJHQOO-UHFFFAOYSA-N -1 0 329.421 3.819 20 0 EHADRM CN(C)c1cccc(CN(C)C(=O)Nc2cccc(NC(=O)[O-])c2)c1 ZINC000830852640 604449341 /nfs/dbraw/zinc/44/93/41/604449341.db2.gz RVJBMFQGHWFHDK-UHFFFAOYSA-N -1 0 342.399 3.506 20 0 EHADRM CCS[C@@H](C)c1noc(CN2CCCc3c(C(=O)[O-])cccc32)n1 ZINC000518386812 604457355 /nfs/dbraw/zinc/45/73/55/604457355.db2.gz REHWKWBBNDLHOO-NSHDSACASA-N -1 0 347.440 3.535 20 0 EHADRM C[C@@H](C[C@H](O)c1ccc(F)cc1)Nc1nc(Cl)c(C(=O)[O-])s1 ZINC000827396430 604459846 /nfs/dbraw/zinc/45/98/46/604459846.db2.gz DUDOFXUIXKFTDX-XVKPBYJWSA-N -1 0 344.795 3.558 20 0 EHADRM Cc1ccc(CNC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])s1 ZINC000832931722 604461322 /nfs/dbraw/zinc/46/13/22/604461322.db2.gz LAJYWTQHLCAWQP-HNNXBMFYSA-N -1 0 346.452 3.708 20 0 EHADRM CC(C)(C)O[C@@H](C(=O)Nc1cc(C(=O)[O-])cs1)c1ccccc1 ZINC000833446329 604464672 /nfs/dbraw/zinc/46/46/72/604464672.db2.gz WCDIXNCOZCAERB-CQSZACIVSA-N -1 0 333.409 3.941 20 0 EHADRM CC(C)(C)SCCCC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000833447785 604469345 /nfs/dbraw/zinc/46/93/45/604469345.db2.gz WTKBOVMFYQGBEW-UHFFFAOYSA-N -1 0 331.384 3.913 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000825611838 604472549 /nfs/dbraw/zinc/47/25/49/604472549.db2.gz ORHDSGPMSLAGCA-CYBMUJFWSA-N -1 0 334.416 3.521 20 0 EHADRM CCC1=C(C(=O)[O-])[C@@H](c2cscc2Cl)NC(=O)N1CC1CC1 ZINC000829070118 604473442 /nfs/dbraw/zinc/47/34/42/604473442.db2.gz YQXUOVISDDVUGN-CYBMUJFWSA-N -1 0 340.832 3.627 20 0 EHADRM Cc1cnn(-c2ccc(C(=O)[O-])cc2NC(=O)c2ccc(C)s2)c1 ZINC000833754445 604486319 /nfs/dbraw/zinc/48/63/19/604486319.db2.gz OUOUYVSUTWLUOV-UHFFFAOYSA-N -1 0 341.392 3.501 20 0 EHADRM O=C([O-])c1csc(NC(=O)N2CCS[C@H](c3ccccc3)C2)c1 ZINC000833342572 604491746 /nfs/dbraw/zinc/49/17/46/604491746.db2.gz MXZVWUTUBBWSAI-ZDUSSCGKSA-N -1 0 348.449 3.768 20 0 EHADRM O=C([O-])c1csc(NC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000833151883 604495378 /nfs/dbraw/zinc/49/53/78/604495378.db2.gz UNGBNXLNQTZUBO-BDAKNGLRSA-N -1 0 336.335 3.689 20 0 EHADRM C[C@@H](NC(=O)Nc1cc(C(=O)[O-])cs1)c1ccc(F)cc1F ZINC000827664306 604499362 /nfs/dbraw/zinc/49/93/62/604499362.db2.gz FMVUCPAOVXPNTQ-SSDOTTSWSA-N -1 0 326.324 3.607 20 0 EHADRM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000828151667 604509242 /nfs/dbraw/zinc/50/92/42/604509242.db2.gz XXGIEQPTGSOCLR-SMDDNHRTSA-N -1 0 330.409 3.856 20 0 EHADRM CN(Cc1ccsc1)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000830865060 604518380 /nfs/dbraw/zinc/51/83/80/604518380.db2.gz JBSWVJZYRFUXNT-OAHLLOKOSA-N -1 0 346.452 3.742 20 0 EHADRM CN(Cc1cccs1)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000830864776 604520336 /nfs/dbraw/zinc/52/03/36/604520336.db2.gz AVORQBDYKJXYCN-HNNXBMFYSA-N -1 0 346.452 3.742 20 0 EHADRM Cc1ccccc1NC(=O)NCc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000830587615 604525539 /nfs/dbraw/zinc/52/55/39/604525539.db2.gz ZZGOUFYGLVKUAL-ZDUSSCGKSA-N -1 0 327.384 3.645 20 0 EHADRM C[C@@H]1C[C@H](C)CN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000828160822 604533671 /nfs/dbraw/zinc/53/36/71/604533671.db2.gz KLTRHGOGQQLVEN-LZWOXQAQSA-N -1 0 332.444 3.526 20 0 EHADRM CCC(CC)n1ccc(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)n1 ZINC000828870599 604548519 /nfs/dbraw/zinc/54/85/19/604548519.db2.gz RYMUCZSEDLHGBX-UHFFFAOYSA-N -1 0 334.351 3.726 20 0 EHADRM CC1(C)CCC[C@H](C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)C1 ZINC000263526226 604556615 /nfs/dbraw/zinc/55/66/15/604556615.db2.gz JZDYNIYGJVDHCT-INIZCTEOSA-N -1 0 347.455 3.763 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)cn1 ZINC000827117910 604556956 /nfs/dbraw/zinc/55/69/56/604556956.db2.gz MKMSSRCKXLHESI-INIZCTEOSA-N -1 0 346.814 3.804 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)N2CCC[C@H]2CC(=O)[O-])cc1 ZINC000263059647 604566395 /nfs/dbraw/zinc/56/63/95/604566395.db2.gz XCLVXKJKPGDMQU-AWEZNQCLSA-N -1 0 329.421 3.803 20 0 EHADRM CC(C)Cn1ncc(C(=O)Oc2ccc(NC(=O)[O-])cc2)c1C1CC1 ZINC000833492488 604572819 /nfs/dbraw/zinc/57/28/19/604572819.db2.gz CBESRYYJETXQSV-UHFFFAOYSA-N -1 0 343.383 3.726 20 0 EHADRM Cc1nc(CC(C)C)c(NC(=O)c2cccc(NC(=O)[O-])c2)s1 ZINC000830741456 604573317 /nfs/dbraw/zinc/57/33/17/604573317.db2.gz HRXAFPHAWBGOIU-UHFFFAOYSA-N -1 0 333.413 3.992 20 0 EHADRM C[C@@H]1CC[C@H](CCC(=O)Nc2cccc(SCCC(=O)[O-])c2)O1 ZINC000833604546 604574386 /nfs/dbraw/zinc/57/43/86/604574386.db2.gz RNSHVLABXBFUSU-TZMCWYRMSA-N -1 0 337.441 3.540 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)Cc2cccc(OC(C)C)c2)oc1C(=O)[O-] ZINC000832872390 604575425 /nfs/dbraw/zinc/57/54/25/604575425.db2.gz PBZYVEWRDYBJGL-CYBMUJFWSA-N -1 0 346.379 3.920 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000832589759 604576807 /nfs/dbraw/zinc/57/68/07/604576807.db2.gz SDBYMMJDUPJHPY-LBPRGKRZSA-N -1 0 346.379 3.877 20 0 EHADRM CC(C)[C@H](OC(=O)CCCN(C)C(=O)[O-])c1ccc(F)c(F)c1 ZINC000833471405 604580955 /nfs/dbraw/zinc/58/09/55/604580955.db2.gz GIDABFQXDAMITC-HNNXBMFYSA-N -1 0 329.343 3.595 20 0 EHADRM CC(C)(CNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1ccncc1 ZINC000833459280 604587031 /nfs/dbraw/zinc/58/70/31/604587031.db2.gz OULYCZKKXXTQLI-UHFFFAOYSA-N -1 0 347.802 3.533 20 0 EHADRM CC(C)Oc1cccc(CN(C)C(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000833507374 604590489 /nfs/dbraw/zinc/59/04/89/604590489.db2.gz JLSMOVVFDAWMRI-UHFFFAOYSA-N -1 0 342.395 3.836 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)[C@@H]2SCCc3ccccc32)oc1C(=O)[O-] ZINC000832876982 604592371 /nfs/dbraw/zinc/59/23/71/604592371.db2.gz RYIOCJASDZAQNI-BDJLRTHQSA-N -1 0 346.404 3.921 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)C2(Cc3ccccc3)CC2)oc1C(=O)[O-] ZINC000832878974 604598501 /nfs/dbraw/zinc/59/85/01/604598501.db2.gz ZWTDVVBYQSUCJY-CYBMUJFWSA-N -1 0 328.364 3.913 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1OC(=O)c1ccnc(Cl)c1 ZINC000833353186 604599432 /nfs/dbraw/zinc/59/94/32/604599432.db2.gz HFPVRNXNFPJECM-UHFFFAOYSA-N -1 0 327.723 3.806 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)/C=C/c2ccnc(Cl)c2)cc1 ZINC000830508631 604600371 /nfs/dbraw/zinc/60/03/71/604600371.db2.gz XQVVEOCBAKXPJT-FARCUNLSSA-N -1 0 331.759 3.501 20 0 EHADRM CC(C)[C@H](C)N(C(=O)NCc1ccc([C@H](C)NC(=O)[O-])cc1)C1CC1 ZINC000825382486 604619856 /nfs/dbraw/zinc/61/98/56/604619856.db2.gz FEYTVXRDDVJASS-KBPBESRZSA-N -1 0 347.459 3.734 20 0 EHADRM CCC(CC)N(C(=O)NCc1ccc([C@@H](C)NC(=O)[O-])cc1)C1CC1 ZINC000826571132 604620890 /nfs/dbraw/zinc/62/08/90/604620890.db2.gz BNCGUMZBESWRKY-CYBMUJFWSA-N -1 0 347.459 3.878 20 0 EHADRM CCCCOc1ccc(NC(=O)N2CCC[C@H]2CC(=O)[O-])c(C)c1 ZINC000829422419 604623053 /nfs/dbraw/zinc/62/30/53/604623053.db2.gz WEOBQSYEHOLJOH-AWEZNQCLSA-N -1 0 334.416 3.645 20 0 EHADRM CCCn1ccc2ccc(NC(=O)N3CCC[C@@H]3CC(=O)[O-])cc21 ZINC000829585021 604632248 /nfs/dbraw/zinc/63/22/48/604632248.db2.gz AKOFZVRZJFLFAX-OAHLLOKOSA-N -1 0 329.400 3.522 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NCc1nc(-c2ccc(F)c(F)c2)no1 ZINC000832918631 604642021 /nfs/dbraw/zinc/64/20/21/604642021.db2.gz KWPTTZAUHPABQB-UHFFFAOYSA-N -1 0 345.305 3.634 20 0 EHADRM CCC(CC)n1nccc1C(=O)N(c1ccccc1)[C@H](CC)C(=O)[O-] ZINC000828595118 604657967 /nfs/dbraw/zinc/65/79/67/604657967.db2.gz RHWNRYMBDLPACD-MRXNPFEDSA-N -1 0 343.427 3.754 20 0 EHADRM C[C@@H](CC(=O)N1CCC[C@@H]1c1ccccc1)C1CCN(C(=O)[O-])CC1 ZINC000824579653 604667034 /nfs/dbraw/zinc/66/70/34/604667034.db2.gz DQONTSKRDZUJLV-MAUKXSAKSA-N -1 0 344.455 3.766 20 0 EHADRM C[C@@H](CC(=O)N(C)[C@@H]1CCc2ccccc21)C1CCN(C(=O)[O-])CC1 ZINC000824553439 604677353 /nfs/dbraw/zinc/67/73/53/604677353.db2.gz ZFXCGFJQWZNVGH-KBXCAEBGSA-N -1 0 344.455 3.549 20 0 EHADRM CCCC[C@H](NC(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccc(OC)cc1 ZINC000829286056 604684971 /nfs/dbraw/zinc/68/49/71/604684971.db2.gz QDLWIHDHFXQFOX-WBVHZDCISA-N -1 0 348.443 3.575 20 0 EHADRM Cc1cccc([C@H](NC(=O)N2CCC[C@@H]2CC(=O)[O-])C(C)(C)C)c1 ZINC000832964597 604688797 /nfs/dbraw/zinc/68/87/97/604688797.db2.gz JXJCZEAQIGTBST-WBVHZDCISA-N -1 0 332.444 3.731 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccc(F)c(Cl)c1)c1ccccc1F ZINC000833350621 604694894 /nfs/dbraw/zinc/69/48/94/604694894.db2.gz DQYRXMUPCIQUAX-CYBMUJFWSA-N -1 0 326.682 3.601 20 0 EHADRM Cc1cc([C@@H](C)Sc2nnnn2C2CCCCC2)oc1C(=O)[O-] ZINC000832874160 604710393 /nfs/dbraw/zinc/71/03/93/604710393.db2.gz MZPMLSDMBKZUOL-SNVBAGLBSA-N -1 0 336.417 3.631 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1cc(Oc2ccccc2)ccc1O ZINC000833496869 604711305 /nfs/dbraw/zinc/71/13/05/604711305.db2.gz KFAQGWZDQMGDFA-UHFFFAOYSA-N -1 0 343.379 3.510 20 0 EHADRM O=C([O-])COc1cccc(C(=O)N2CCC[C@H]2CCC2CCCC2)c1 ZINC000833260069 604714555 /nfs/dbraw/zinc/71/45/55/604714555.db2.gz XWDJLBWYPOFWEW-KRWDZBQOSA-N -1 0 345.439 3.725 20 0 EHADRM C[C@@H](OC(=O)c1cnc2ccc(F)cc2c1)c1ccc(C(=O)[O-])o1 ZINC000833534852 604718802 /nfs/dbraw/zinc/71/88/02/604718802.db2.gz DMFCVPAXRBLMFN-SECBINFHSA-N -1 0 329.283 3.583 20 0 EHADRM Cc1ccccc1-c1nc(C(=O)N(C)C2(C(=O)[O-])CCCC2)cs1 ZINC000832974649 604719456 /nfs/dbraw/zinc/71/94/56/604719456.db2.gz LZSOLOTVPUOWTK-UHFFFAOYSA-N -1 0 344.436 3.588 20 0 EHADRM CCSc1ccccc1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000830174637 604730311 /nfs/dbraw/zinc/73/03/11/604730311.db2.gz VALDGPXPRNBOCC-UHFFFAOYSA-N -1 0 336.438 3.525 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)OCc2cc(-c3ccccc3)n[nH]2)cc1 ZINC000833283201 604737213 /nfs/dbraw/zinc/73/72/13/604737213.db2.gz BWNBFCFAFVNTJW-UHFFFAOYSA-N -1 0 337.335 3.524 20 0 EHADRM C[C@@H](CC(=O)N([C@@H](C)c1ccco1)C1CC1)C1CCN(C(=O)[O-])CC1 ZINC000824558233 604743332 /nfs/dbraw/zinc/74/33/32/604743332.db2.gz MGBCRJCPBMULSX-KBPBESRZSA-N -1 0 348.443 3.748 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000833632321 604743306 /nfs/dbraw/zinc/74/33/06/604743306.db2.gz LBUVYAUWJHRJNS-GHMZBOCLSA-N -1 0 345.345 3.811 20 0 EHADRM CCn1c(S[C@@H](C)c2ccc(C(=O)[O-])o2)nnc1-c1cccnc1 ZINC000830416447 604751286 /nfs/dbraw/zinc/75/12/86/604751286.db2.gz VVLUHLUJQSYQSN-JTQLQIEISA-N -1 0 344.396 3.505 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C2CCC(F)(F)CC2)cc1 ZINC000261953524 604760269 /nfs/dbraw/zinc/76/02/69/604760269.db2.gz WSBFMUKTCCQPIU-UHFFFAOYSA-N -1 0 325.355 3.813 20 0 EHADRM O=C([O-])c1ccc(-c2nc(Cc3ccccc3Cl)no2)cc1F ZINC000833308797 604763386 /nfs/dbraw/zinc/76/33/86/604763386.db2.gz UGTQUHSBWDVWBN-UHFFFAOYSA-N -1 0 332.718 3.818 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N[C@H](CC1CC1)c1ccccc1 ZINC000833764033 604763647 /nfs/dbraw/zinc/76/36/47/604763647.db2.gz SQQNAFISNDSRSV-LJQANCHMSA-N -1 0 337.419 3.975 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N1Cc2ccccc2C(F)(F)C1 ZINC000832917770 604798696 /nfs/dbraw/zinc/79/86/96/604798696.db2.gz YKKZSKOAFUUZPP-UHFFFAOYSA-N -1 0 346.333 3.833 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1F ZINC000833308979 604806956 /nfs/dbraw/zinc/80/69/56/604806956.db2.gz IHHYOGXXHPEFOT-UHFFFAOYSA-N -1 0 341.382 3.619 20 0 EHADRM C[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000827581208 604818263 /nfs/dbraw/zinc/81/82/63/604818263.db2.gz JVXZTCIVRXWHNK-AWEZNQCLSA-N -1 0 343.448 3.822 20 0 EHADRM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC000832982270 604824612 /nfs/dbraw/zinc/82/46/12/604824612.db2.gz QVTBSMXYIWCIMZ-ZFWWWQNUSA-N -1 0 341.382 3.851 20 0 EHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)COC2(C)CCC2)cc1 ZINC000761628523 604825904 /nfs/dbraw/zinc/82/59/04/604825904.db2.gz MSZYVMRNWPNXPB-MRXNPFEDSA-N -1 0 347.455 3.575 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCC2(Cc3ccccc3)CCC2)cc1F ZINC000833141297 604832049 /nfs/dbraw/zinc/83/20/49/604832049.db2.gz WKJAOJAKBJVOME-UHFFFAOYSA-N -1 0 341.382 3.667 20 0 EHADRM CCc1cc(C)c(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)o1 ZINC000237128357 604846590 /nfs/dbraw/zinc/84/65/90/604846590.db2.gz XXQXEFQPEFLMNJ-UHFFFAOYSA-N -1 0 337.759 3.520 20 0 EHADRM Cc1ccc(C)c(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)c1 ZINC000237642693 604848937 /nfs/dbraw/zinc/84/89/37/604848937.db2.gz HXODRUYSTWAAGR-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM Cc1ccc(C)c(CC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)c1 ZINC000237645705 604849248 /nfs/dbraw/zinc/84/92/48/604849248.db2.gz ZHMUOOWEVFSABZ-UHFFFAOYSA-N -1 0 347.798 3.601 20 0 EHADRM CC1(C)CCC(CNC(=O)Nc2ccc(CNC(=O)[O-])cc2)CC1 ZINC000833556795 604855306 /nfs/dbraw/zinc/85/53/06/604855306.db2.gz HXXNBFOYQYRECE-UHFFFAOYSA-N -1 0 333.432 3.792 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)OCc1ccc(Oc2ccccc2)c(F)c1 ZINC000827350041 604865738 /nfs/dbraw/zinc/86/57/38/604865738.db2.gz VMYVXCMUGOTVBR-LBPRGKRZSA-N -1 0 332.327 3.772 20 0 EHADRM CC(C)(NC(=O)[O-])C(=O)NCc1ccc(Sc2ccccc2)cc1 ZINC000833461022 604878621 /nfs/dbraw/zinc/87/86/21/604878621.db2.gz JVGSWKDCVCNCGO-UHFFFAOYSA-N -1 0 344.436 3.500 20 0 EHADRM CC(C)(CC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC000679102926 604879277 /nfs/dbraw/zinc/87/92/77/604879277.db2.gz KWUYFQSHXRXJNM-MRXNPFEDSA-N -1 0 331.456 3.704 20 0 EHADRM Cc1cc(F)ccc1C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000832890669 604890153 /nfs/dbraw/zinc/89/01/53/604890153.db2.gz ZOLCJUNNGCWOMD-MRXNPFEDSA-N -1 0 329.371 3.716 20 0 EHADRM C[C@]1(NC(=O)Cc2cccc3ccccc32)CCCC[C@H]1C(=O)[O-] ZINC000262732327 604891388 /nfs/dbraw/zinc/89/13/88/604891388.db2.gz ICFCLYWEEFXWEI-PXNSSMCTSA-N -1 0 325.408 3.532 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)[C@@]2(C)CCc3ccccc3C2)C1 ZINC000833553140 604895586 /nfs/dbraw/zinc/89/55/86/604895586.db2.gz OJBZGUPDWKRBEZ-UWJYYQICSA-N -1 0 343.467 3.531 20 0 EHADRM CC(C)(C)c1ccc(CC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000833448637 604898544 /nfs/dbraw/zinc/89/85/44/604898544.db2.gz AKLJEQSPDTUIOB-QGZVFWFLSA-N -1 0 345.483 3.876 20 0 EHADRM CC[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000829119857 604908166 /nfs/dbraw/zinc/90/81/66/604908166.db2.gz WDUCYALFIZMVEF-MFKMUULPSA-N -1 0 340.807 3.504 20 0 EHADRM CCc1ccc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)s1 ZINC000777392528 604931825 /nfs/dbraw/zinc/93/18/25/604931825.db2.gz RETSZPKWJVSTBI-UHFFFAOYSA-N -1 0 331.437 3.818 20 0 EHADRM CCOc1ccc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)cc1 ZINC000236895887 604932776 /nfs/dbraw/zinc/93/27/76/604932776.db2.gz IKJUMIPXIVXQQC-UHFFFAOYSA-N -1 0 341.407 3.593 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)[C@H]1C[C@H]1c1sccc1C ZINC000833680754 604937851 /nfs/dbraw/zinc/93/78/51/604937851.db2.gz NNJAIVHOBKOVBH-NEPJUHHUSA-N -1 0 334.393 3.757 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2CCc2ccccc2)cc1F ZINC000833309156 604943927 /nfs/dbraw/zinc/94/39/27/604943927.db2.gz MBFUIMSQTUXOGU-MRXNPFEDSA-N -1 0 341.382 3.761 20 0 EHADRM C[C@]1(NC(=O)c2cccc(-c3ccoc3)c2)CCCC[C@@H]1C(=O)[O-] ZINC000262745592 604956853 /nfs/dbraw/zinc/95/68/53/604956853.db2.gz IWCCBCLGMMDLJR-APWZRJJASA-N -1 0 327.380 3.710 20 0 EHADRM C[C@]1(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCCC[C@H]1C(=O)[O-] ZINC000262758787 604960158 /nfs/dbraw/zinc/96/01/58/604960158.db2.gz KDXSWVXLLXVDEG-FJJYHAOUSA-N -1 0 335.366 3.505 20 0 EHADRM C[C@@]1(NC(=O)c2sccc2SC(F)F)CCCC[C@@H]1C(=O)[O-] ZINC000833569933 604967378 /nfs/dbraw/zinc/96/73/78/604967378.db2.gz ABXFQKFNIAPMCA-XLKFXECMSA-N -1 0 349.424 3.826 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)NCCCCc2ccccc2)C1 ZINC000833416501 604976530 /nfs/dbraw/zinc/97/65/30/604976530.db2.gz ATLLYKZOMJCEDQ-KRWDZBQOSA-N -1 0 346.471 3.542 20 0 EHADRM CC(C)[C@H](OC(=O)CCNC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000833472692 604977678 /nfs/dbraw/zinc/97/76/78/604977678.db2.gz MLUHDQXGIRCZJY-ZDUSSCGKSA-N -1 0 333.306 3.603 20 0 EHADRM CCCCC[C@@H]1CCCN1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000829347776 604982013 /nfs/dbraw/zinc/98/20/13/604982013.db2.gz MIBSGNHFUNGVSK-CYBMUJFWSA-N -1 0 339.461 3.737 20 0 EHADRM COc1ccc(N[C@@H](C(=O)[O-])c2cccnc2)cc1OC1CCCC1 ZINC000832408359 604990846 /nfs/dbraw/zinc/99/08/46/604990846.db2.gz VEOXMNPDXIZLNJ-GOSISDBHSA-N -1 0 342.395 3.649 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)Nc2cc(C(F)F)ccc2Cl)C1 ZINC000263006139 604992991 /nfs/dbraw/zinc/99/29/91/604992991.db2.gz GWZAQIADULURMA-AWEZNQCLSA-N -1 0 332.734 3.606 20 0 EHADRM C[C@H](OC(=O)c1ccc(F)c(Cl)c1F)c1ccc(C(=O)[O-])o1 ZINC000833532003 605015820 /nfs/dbraw/zinc/01/58/20/605015820.db2.gz MZZHYYLNEMQEHN-LURJTMIESA-N -1 0 330.670 3.827 20 0 EHADRM CCN(c1cc(C)ccc1C)S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC000833655095 605019312 /nfs/dbraw/zinc/01/93/12/605019312.db2.gz XNTFFKIXJDPDKG-UHFFFAOYSA-N -1 0 347.436 3.525 20 0 EHADRM Cc1cccc(S(=O)(=O)N(CC(C)C)c2ccccc2)c1C(=O)[O-] ZINC000833753690 605023563 /nfs/dbraw/zinc/02/35/63/605023563.db2.gz VYOVJYICMBXHDY-UHFFFAOYSA-N -1 0 347.436 3.545 20 0 EHADRM Cc1cccc(-c2nnc([C@H](C)OC(=O)CC(C)(C)CC(=O)[O-])o2)c1 ZINC000833751957 605034129 /nfs/dbraw/zinc/03/41/29/605034129.db2.gz BNUQPNLBUUEXNT-LBPRGKRZSA-N -1 0 346.383 3.540 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)[C@H](C)c1c(F)cccc1F ZINC000833680529 605036614 /nfs/dbraw/zinc/03/66/14/605036614.db2.gz KSRCSHCASSVKOW-SECBINFHSA-N -1 0 338.306 3.665 20 0 EHADRM Cc1cnc(CNc2ccc(Br)c(C(=O)[O-])c2)s1 ZINC000833754031 605039541 /nfs/dbraw/zinc/03/95/41/605039541.db2.gz LWTFASIEALEULD-UHFFFAOYSA-N -1 0 327.203 3.524 20 0 EHADRM C[C@H](SC[C@@H]1CC(C(=O)[O-])=NO1)c1ccc(OC(F)(F)F)cc1 ZINC000833544143 605041851 /nfs/dbraw/zinc/04/18/51/605041851.db2.gz YNNLEKFKCMEJBN-KWQFWETISA-N -1 0 349.330 3.609 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)Nc2nc(CC(=O)[O-])cs2)cc1 ZINC000683298256 605043434 /nfs/dbraw/zinc/04/34/34/605043434.db2.gz UROFNKLSTIBCJX-ONEGZZNKSA-N -1 0 344.436 3.936 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)N2CCSC[C@@H]2CC(=O)[O-])cc1 ZINC000262828639 605045239 /nfs/dbraw/zinc/04/52/39/605045239.db2.gz XABUIZLUUCJBNI-IDOMTICXSA-N -1 0 347.480 3.632 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CCO1 ZINC000833472656 605063830 /nfs/dbraw/zinc/06/38/30/605063830.db2.gz VDWLFTSOCQSSLP-NHYWBVRUSA-N -1 0 339.819 3.818 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000263246049 605063852 /nfs/dbraw/zinc/06/38/52/605063852.db2.gz HWTNUPBGIISHKX-UHFFFAOYSA-N -1 0 331.334 3.555 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000190617657 605066226 /nfs/dbraw/zinc/06/62/26/605066226.db2.gz TVXAPIUWMVPTMN-KRWDZBQOSA-N -1 0 329.440 3.946 20 0 EHADRM CC(C)[C@@H]1C[C@H](CC(=O)N2CCCc3c(C(=O)[O-])cccc32)CCO1 ZINC000833472466 605070170 /nfs/dbraw/zinc/07/01/70/605070170.db2.gz SONMPWRRAAIQMX-KDOFPFPSSA-N -1 0 345.439 3.505 20 0 EHADRM CC(C)CN(CCc1ccccc1)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000833486850 605082963 /nfs/dbraw/zinc/08/29/63/605082963.db2.gz SXFKPMCGBFRCEP-UHFFFAOYSA-N -1 0 331.456 3.605 20 0 EHADRM CC(C)(C)/C=C/C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000833423880 605093180 /nfs/dbraw/zinc/09/31/80/605093180.db2.gz ZLMGOGXJVYYMMZ-VOTSOKGWSA-N -1 0 326.190 3.688 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)N2CC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000833775788 605097590 /nfs/dbraw/zinc/09/75/90/605097590.db2.gz QEPDHSAGDQVUIP-INIZCTEOSA-N -1 0 344.798 3.946 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000190622743 605102818 /nfs/dbraw/zinc/10/28/18/605102818.db2.gz BOHCKLYYJHQJJA-CQSZACIVSA-N -1 0 337.847 3.765 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000833642050 605104103 /nfs/dbraw/zinc/10/41/03/605104103.db2.gz WUIAFPSOAXPQTF-UHFFFAOYSA-N -1 0 333.363 3.642 20 0 EHADRM CC1(C)CC[C@H](NC(=O)C2CCC(C(=O)[O-])CC2)c2ccccc21 ZINC000194405596 605106346 /nfs/dbraw/zinc/10/63/46/605106346.db2.gz JGQTVELTKUJPEL-KVULBXGLSA-N -1 0 329.440 3.806 20 0 EHADRM CCOc1ccc(C(C)=O)cc1CN(C)c1ccccc1C(=O)[O-] ZINC000833664403 605113535 /nfs/dbraw/zinc/11/35/35/605113535.db2.gz VWEQMSRMJXWMSV-UHFFFAOYSA-N -1 0 327.380 3.623 20 0 EHADRM C[C@@H]1CN(C(=O)N[C@@H](CC2CCCC2)c2ccccc2)C[C@H]1C(=O)[O-] ZINC000833622682 605125807 /nfs/dbraw/zinc/12/58/07/605125807.db2.gz MZJMXSJVPPKWKO-OLMNPRSZSA-N -1 0 344.455 3.670 20 0 EHADRM Cc1[nH]c(C(=O)Nc2ccc(F)cc2OC(C)(C)C)c(C)c1C(=O)[O-] ZINC000833739828 605138550 /nfs/dbraw/zinc/13/85/50/605138550.db2.gz ITCGTZUQHUEGKE-UHFFFAOYSA-N -1 0 348.374 3.898 20 0 EHADRM C[C@@H](C(=O)Nc1cccc(C(=O)[O-])c1)c1ccc(Br)cc1 ZINC000190875376 605148818 /nfs/dbraw/zinc/14/88/18/605148818.db2.gz WDVWEXXUCIMSHP-SNVBAGLBSA-N -1 0 348.196 3.890 20 0 EHADRM Cc1nc(C2CCCCC2)sc1C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000833755416 605153974 /nfs/dbraw/zinc/15/39/74/605153974.db2.gz MDRRQLYQTSNRLB-CYBMUJFWSA-N -1 0 336.457 3.579 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)O[C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)C1 ZINC000833604034 605155562 /nfs/dbraw/zinc/15/55/62/605155562.db2.gz CKCUEBLFQNYCNC-OASPWFOLSA-N -1 0 330.302 3.968 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)NC2(C(=O)[O-])CCCCCC2)c1C(C)C ZINC000432001788 605156774 /nfs/dbraw/zinc/15/67/74/605156774.db2.gz YZVISOLFWYRNNW-UHFFFAOYSA-N -1 0 348.443 3.557 20 0 EHADRM C[C@H]1CSC(SCc2coc(-c3ccc(C(=O)[O-])cc3)n2)=N1 ZINC000833631283 605157112 /nfs/dbraw/zinc/15/71/12/605157112.db2.gz BWBWVKDMGRPKBF-VIFPVBQESA-N -1 0 334.422 3.764 20 0 EHADRM CCn1cc(CC(=O)Nc2scc(C(=O)[O-])c2C)c2ccccc21 ZINC000833682123 605157639 /nfs/dbraw/zinc/15/76/39/605157639.db2.gz KHRHVVONDPSZKE-UHFFFAOYSA-N -1 0 342.420 3.911 20 0 EHADRM Cc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)nc1 ZINC000833747893 605160441 /nfs/dbraw/zinc/16/04/41/605160441.db2.gz NJUVMQOQTZCTPX-CYBMUJFWSA-N -1 0 340.162 3.680 20 0 EHADRM CC(C)(CCCc1ccccc1)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000833456891 605171052 /nfs/dbraw/zinc/17/10/52/605171052.db2.gz ICPNOCAWBUHIGA-UHFFFAOYSA-N -1 0 326.396 3.767 20 0 EHADRM CC1(C)Cc2ccc(Cl)cc2[C@@H]1OC(=O)CCSCC(=O)[O-] ZINC000833562547 605175181 /nfs/dbraw/zinc/17/51/81/605175181.db2.gz TYLVZWALZYOHMA-HNNXBMFYSA-N -1 0 342.844 3.715 20 0 EHADRM CC(C)N(Cc1cccc(Cl)c1)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000833499441 605177198 /nfs/dbraw/zinc/17/71/98/605177198.db2.gz WLOWXZRGWNNVBZ-UHFFFAOYSA-N -1 0 347.802 3.876 20 0 EHADRM C[C@H]1CC[C@@H](NC(=O)Nc2cncc(C(=O)[O-])c2)c2ccccc21 ZINC000833603360 605182586 /nfs/dbraw/zinc/18/25/86/605182586.db2.gz KOWGFUJISYPGNZ-MEDUHNTESA-N -1 0 325.368 3.540 20 0 EHADRM CC(C)(C)SCCCC(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000833447419 605184364 /nfs/dbraw/zinc/18/43/64/605184364.db2.gz QVBOOJFPHSCNTN-RDBSUJKOSA-N -1 0 327.490 3.543 20 0 EHADRM C[C@H](C(=O)OCc1coc(-c2ccc(C(=O)[O-])cc2)n1)C1CCCC1 ZINC000833408597 605190225 /nfs/dbraw/zinc/19/02/25/605190225.db2.gz DWOOJDADWLDFJD-LBPRGKRZSA-N -1 0 343.379 3.909 20 0 EHADRM CC[C@@H](C)Oc1cc(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)ccn1 ZINC000833641294 605203644 /nfs/dbraw/zinc/20/36/44/605203644.db2.gz UMDAPNHELRQOPI-LLVKDONJSA-N -1 0 339.351 3.674 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000833641553 605231706 /nfs/dbraw/zinc/23/17/06/605231706.db2.gz FPZRVSGREHSOLK-UHFFFAOYSA-N -1 0 343.427 3.523 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)c1cc(Br)ccc1F)C(=O)[O-] ZINC000833427142 605237466 /nfs/dbraw/zinc/23/74/66/605237466.db2.gz JRXSYWAKRQLRHS-LLVKDONJSA-N -1 0 347.180 3.634 20 0 EHADRM CC(C)(C)OC(=O)[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000833445000 605244338 /nfs/dbraw/zinc/24/43/38/605244338.db2.gz SUNLSAVBFBFLKS-KRWDZBQOSA-N -1 0 341.407 3.557 20 0 EHADRM Cc1nc(-c2ccc(NC[C@@H]3CCCN(C(=O)[O-])C3)cc2)oc1C ZINC000830685613 605248450 /nfs/dbraw/zinc/24/84/50/605248450.db2.gz IRCRATAKOPVXHR-AWEZNQCLSA-N -1 0 329.400 3.760 20 0 EHADRM COc1cccc2cc(CNc3cccc(CNC(=O)[O-])c3)oc21 ZINC000829579386 605248737 /nfs/dbraw/zinc/24/87/37/605248737.db2.gz ANHLDXQWXRCQDW-UHFFFAOYSA-N -1 0 326.352 3.821 20 0 EHADRM CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccc(C(=O)[O-])nc2)cc1 ZINC000833492965 605250690 /nfs/dbraw/zinc/25/06/90/605250690.db2.gz HXUQKJCIAPFUON-CYBMUJFWSA-N -1 0 326.396 3.721 20 0 EHADRM C[C@]12CC3CC(C(=O)Nc4ccc(C(=O)[O-])nc4)(C1)C[C@@](C)(C3)C2 ZINC000325415634 605253064 /nfs/dbraw/zinc/25/30/64/605253064.db2.gz VHWSDRVFYUNKQE-CMXJYWLISA-N -1 0 328.412 3.715 20 0 EHADRM CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)CC(C)(C)CC(=O)[O-] ZINC000833693125 605257986 /nfs/dbraw/zinc/25/79/86/605257986.db2.gz LUAYBQSFZJWDSQ-APWZRJJASA-N -1 0 347.455 3.504 20 0 EHADRM C[C@@H](Nc1ccc(NC(=O)[O-])c(F)c1)c1cn(-c2ccccc2)nn1 ZINC000833525827 605261520 /nfs/dbraw/zinc/26/15/20/605261520.db2.gz RPRFYMRZVVNPAK-LLVKDONJSA-N -1 0 341.346 3.669 20 0 EHADRM C[C@H](Nc1ccc(NC(=O)[O-])c(F)c1)C(=O)NCCC1=CCCCC1 ZINC000833524882 605262711 /nfs/dbraw/zinc/26/27/11/605262711.db2.gz KLAZSJDOAKHTFW-LBPRGKRZSA-N -1 0 349.406 3.723 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000683325164 605267419 /nfs/dbraw/zinc/26/74/19/605267419.db2.gz NPWVHMMARYZATF-WMZOPIPTSA-N -1 0 345.483 3.995 20 0 EHADRM CC(C)(C)SCC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000191475692 605302693 /nfs/dbraw/zinc/30/26/93/605302693.db2.gz FKTUBSHOQAUBAP-INIZCTEOSA-N -1 0 331.437 3.613 20 0 EHADRM C/C(=C\C(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000833382229 605308825 /nfs/dbraw/zinc/30/88/25/605308825.db2.gz LILKSKKBBNHRRR-QSYFUGGGSA-N -1 0 341.329 3.694 20 0 EHADRM C[C@@H]1CCC[C@@H]1C(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC000833607866 605344147 /nfs/dbraw/zinc/34/41/47/605344147.db2.gz HYUPFIADLPVHPL-ABAIWWIYSA-N -1 0 344.436 3.807 20 0 EHADRM CC(C)(C)OC1CCN([C@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC000833446007 605376075 /nfs/dbraw/zinc/37/60/75/605376075.db2.gz MHNXZDOWKLYKFG-HNNXBMFYSA-N -1 0 343.826 3.884 20 0 EHADRM C[C@H]1CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C[C@H]1F ZINC000833616161 605391477 /nfs/dbraw/zinc/39/14/77/605391477.db2.gz RYDWNDUHKITRAC-XHDPSFHLSA-N -1 0 334.416 3.688 20 0 EHADRM CN(C(=O)CC[C@H]1CCN(C(=O)[O-])C1)c1ccc2ccccc2c1 ZINC000833869011 605396698 /nfs/dbraw/zinc/39/66/98/605396698.db2.gz JOEFNLOGXHCCPM-AWEZNQCLSA-N -1 0 326.396 3.583 20 0 EHADRM O=C([O-])N1CCC[C@H]1CCC(=O)Nc1cccc(-c2nccs2)c1 ZINC000833996410 605417270 /nfs/dbraw/zinc/41/72/70/605417270.db2.gz BSWCSOPDCZEJKS-AWEZNQCLSA-N -1 0 345.424 3.671 20 0 EHADRM CCC[C@H](C)[C@H]1CCCN1C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000826729020 605425005 /nfs/dbraw/zinc/42/50/05/605425005.db2.gz QFHFUQAMWKGOFI-UCHQMPSGSA-N -1 0 336.476 3.725 20 0 EHADRM CN(C(=O)[O-])c1ccccc1C(=O)OCCCc1cccc(F)c1 ZINC000833686137 605454951 /nfs/dbraw/zinc/45/49/51/605454951.db2.gz YXQLAYIVOAYLEO-UHFFFAOYSA-N -1 0 331.343 3.730 20 0 EHADRM O=C([O-])N[C@H](Cc1nc(-c2ccccc2Cl)no1)c1ccccc1 ZINC000832149173 605476769 /nfs/dbraw/zinc/47/67/69/605476769.db2.gz XALIHDOBCSUCMG-CQSZACIVSA-N -1 0 343.770 3.941 20 0 EHADRM CC(C)(C)SCC(=O)O[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833447197 605488807 /nfs/dbraw/zinc/48/88/07/605488807.db2.gz PEWKLMRXGBPBCR-GFCCVEGCSA-N -1 0 334.796 3.680 20 0 EHADRM O=C([O-])N1CCCN(Cc2csc(C3CC3)n2)c2ccccc21 ZINC000834110206 605489615 /nfs/dbraw/zinc/48/96/15/605489615.db2.gz OHECYUYLDBLRAR-UHFFFAOYSA-N -1 0 329.425 3.915 20 0 EHADRM CCCN(C(=O)Nc1c(C)cc(C)cc1C)C1CCN(C(=O)[O-])CC1 ZINC000826875328 605538428 /nfs/dbraw/zinc/53/84/28/605538428.db2.gz AYWKCEVYGQPVQS-UHFFFAOYSA-N -1 0 347.459 3.998 20 0 EHADRM CC(C)c1ncc(Cl)c(C(=O)OCc2cccc(NC(=O)[O-])c2)n1 ZINC000824495317 605543754 /nfs/dbraw/zinc/54/37/54/605543754.db2.gz MNAYGVZTBVTQMB-UHFFFAOYSA-N -1 0 349.774 3.700 20 0 EHADRM O=C([O-])N[C@@H](CC(=O)N1CCC[C@H]1c1ccccc1)c1ccccc1 ZINC000832095021 605574243 /nfs/dbraw/zinc/57/42/43/605574243.db2.gz YHWWTUAUMYWXHL-ROUUACIJSA-N -1 0 338.407 3.749 20 0 EHADRM COc1c(C)ccc(NC(=O)C[C@@H](NC(=O)[O-])c2ccccc2)c1C ZINC000829067192 605582129 /nfs/dbraw/zinc/58/21/29/605582129.db2.gz SMAAMCHJBQELJX-MRXNPFEDSA-N -1 0 342.395 3.650 20 0 EHADRM O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)Nc1csc3ccccc13)C2 ZINC000834059586 605631642 /nfs/dbraw/zinc/63/16/42/605631642.db2.gz ZNGQONJSAJQBKT-YOGCLGLASA-N -1 0 345.424 3.696 20 0 EHADRM Cc1cc(C(=O)N(C)[C@@H]2CCc3ccccc3C2)ccc1NC(=O)[O-] ZINC000829914242 605690493 /nfs/dbraw/zinc/69/04/93/605690493.db2.gz CKOISXDOPIZPQA-QGZVFWFLSA-N -1 0 338.407 3.714 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)c2ccc(NC(=O)[O-])c(C)c2)o1 ZINC000830281109 605693692 /nfs/dbraw/zinc/69/36/92/605693692.db2.gz DCYDIXBTVKBOOH-OAHLLOKOSA-N -1 0 328.368 3.964 20 0 EHADRM Cc1cc(C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2F)ccc1NC(=O)[O-] ZINC000829939706 605693777 /nfs/dbraw/zinc/69/37/77/605693777.db2.gz GTBUCGADJUBLPX-NHYWBVRUSA-N -1 0 346.333 3.649 20 0 EHADRM O=C([O-])N1CCCN1c1nc(C2CC2)nc2sc3c(c21)CCCC3 ZINC000834111599 605694996 /nfs/dbraw/zinc/69/49/96/605694996.db2.gz MHYVAPYYYPCKIU-UHFFFAOYSA-N -1 0 344.440 3.553 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N1CCS[C@@H](c2ccccc2)C1 ZINC000740048200 605699924 /nfs/dbraw/zinc/69/99/24/605699924.db2.gz ZIZSZJXNNNRYBQ-MRXNPFEDSA-N -1 0 342.420 3.707 20 0 EHADRM Cc1cnc([C@@H](NC(=O)c2ccc(NC(=O)[O-])c(C)c2)C2CC2)s1 ZINC000830623955 605702441 /nfs/dbraw/zinc/70/24/41/605702441.db2.gz DGYBBRKYRCDEOG-AWEZNQCLSA-N -1 0 345.424 3.731 20 0 EHADRM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000833603258 605707580 /nfs/dbraw/zinc/70/75/80/605707580.db2.gz ABBRXFHSQPQVEX-PSASIEDQSA-N -1 0 348.296 3.719 20 0 EHADRM O=C([O-])Nc1ccc(Oc2ccc(S(=O)(=O)C(F)F)cc2)cc1 ZINC000834263060 605726232 /nfs/dbraw/zinc/72/62/32/605726232.db2.gz PEIGMCGAWTYATR-UHFFFAOYSA-N -1 0 343.307 3.565 20 0 EHADRM CN(Cc1ccc(Cl)s1)C(=O)Cc1cccc(NC(=O)[O-])c1 ZINC000833874347 605754478 /nfs/dbraw/zinc/75/44/78/605754478.db2.gz JFAZJIUQSHPMRJ-UHFFFAOYSA-N -1 0 338.816 3.693 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000834265460 605756773 /nfs/dbraw/zinc/75/67/73/605756773.db2.gz OWHVWDYZNDLMLD-WCQYABFASA-N -1 0 344.333 3.556 20 0 EHADRM Cc1ccccc1-c1nc(C(=O)N2CCCCC[C@@H]2C(=O)[O-])cs1 ZINC000621568075 605792161 /nfs/dbraw/zinc/79/21/61/605792161.db2.gz LFJSBSORZYZDME-OAHLLOKOSA-N -1 0 344.436 3.588 20 0 EHADRM C[C@@H](CCC(=O)N(C)C1CCC(NC(=O)[O-])CC1)c1ccccc1 ZINC000833803745 605796080 /nfs/dbraw/zinc/79/60/80/605796080.db2.gz PFSJSFQRBMDVTH-OOHWJJMZSA-N -1 0 332.444 3.608 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)c(F)c1 ZINC000833776721 605798209 /nfs/dbraw/zinc/79/82/09/605798209.db2.gz PEYGQUGQVQLSMH-KGLIPLIRSA-N -1 0 348.757 3.815 20 0 EHADRM O=C([O-])NC1CCC(C(=O)N2CCC[C@@H]2/C=C\c2ccccc2)CC1 ZINC000834162762 605820934 /nfs/dbraw/zinc/82/09/34/605820934.db2.gz GWGSMQIPRSIKPN-LAIJKELQSA-N -1 0 342.439 3.517 20 0 EHADRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)c1sccc1-c1ccccc1 ZINC000825846440 605854169 /nfs/dbraw/zinc/85/41/69/605854169.db2.gz UWFZEAYEGSAQNA-JSGCOSHPSA-N -1 0 344.436 3.676 20 0 EHADRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000825831185 605864902 /nfs/dbraw/zinc/86/49/02/605864902.db2.gz KINUAMWWTHBAAY-RDTXWAMCSA-N -1 0 338.407 3.614 20 0 EHADRM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cc(C(=O)[O-])no1 ZINC000833547195 605867025 /nfs/dbraw/zinc/86/70/25/605867025.db2.gz RBRIBIRVXKHRCD-SSDOTTSWSA-N -1 0 343.166 3.513 20 0 EHADRM O=C([O-])NCCCCC(=O)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000834235735 605925849 /nfs/dbraw/zinc/92/58/49/605925849.db2.gz GAUUFFRNPBDMHE-UHFFFAOYSA-N -1 0 345.226 3.537 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N2CC[C@@H]2c2cccc(F)c2)cc1 ZINC000834261831 605927789 /nfs/dbraw/zinc/92/77/89/605927789.db2.gz FZRCXTBNMJAYRD-OAHLLOKOSA-N -1 0 329.331 3.895 20 0 EHADRM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2Cc1csc(-c2ccoc2)n1 ZINC000832239518 605937833 /nfs/dbraw/zinc/93/78/33/605937833.db2.gz JTCFSFKNSGGJNR-LQDVMPOASA-N -1 0 347.440 3.556 20 0 EHADRM O=C([O-])NCc1cccc(OCc2nc(C(F)(F)F)cs2)c1 ZINC000834247860 605955780 /nfs/dbraw/zinc/95/57/80/605955780.db2.gz WHVUFIQACWJNKZ-UHFFFAOYSA-N -1 0 332.303 3.509 20 0 EHADRM COc1ccc(NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)cc1NC(=O)[O-] ZINC000833888472 605968901 /nfs/dbraw/zinc/96/89/01/605968901.db2.gz BWYHOHNKCDTMAG-CORIIIEPSA-N -1 0 347.415 3.828 20 0 EHADRM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000833927046 605993820 /nfs/dbraw/zinc/99/38/20/605993820.db2.gz AYNUUOGWRKQROF-NSHDSACASA-N -1 0 345.399 3.534 20 0 EHADRM O=C([O-])N[C@H](CC(F)F)C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000834134073 605999450 /nfs/dbraw/zinc/99/94/50/605999450.db2.gz FTEWOKHGUBYSRN-CQSZACIVSA-N -1 0 334.322 3.584 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N1CCC[C@H]1Cc1ccccc1 ZINC000834270662 606044029 /nfs/dbraw/zinc/04/40/29/606044029.db2.gz KXFVOYKYYSJXDE-KRWDZBQOSA-N -1 0 338.407 3.553 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)Nc1ccccc1N1CCCC1 ZINC000834274852 606045646 /nfs/dbraw/zinc/04/56/46/606045646.db2.gz YLKLYTATMDQSHI-UHFFFAOYSA-N -1 0 339.395 3.558 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)NCc1csc2ccccc12 ZINC000834271530 606048830 /nfs/dbraw/zinc/04/88/30/606048830.db2.gz BNLHBKAACBYNAR-UHFFFAOYSA-N -1 0 340.404 3.850 20 0 EHADRM Cc1ccncc1/C=C\c1nc([C@H]2CCCCCN2C(=O)[O-])no1 ZINC000833909225 606076473 /nfs/dbraw/zinc/07/64/73/606076473.db2.gz CDAARVIVVYPQPB-LMVHVUTASA-N -1 0 328.372 3.539 20 0 EHADRM Cc1ccc(Cl)cc1Oc1snc(Cl)c1-c1nnn[n-]1 ZINC000826289382 608187679 /nfs/dbraw/zinc/18/76/79/608187679.db2.gz XXEKSKTYASBLFW-UHFFFAOYSA-N -1 0 328.184 3.731 20 0 EHADRM O=C([O-])C1(NC(=O)c2ccc(-c3ccccc3F)o2)CCCCC1 ZINC000013168600 939030890 /nfs/dbraw/zinc/03/08/90/939030890.db2.gz YHWBWNVYZVSKFS-UHFFFAOYSA-N -1 0 331.343 3.603 20 0 EHADRM O=C([O-])C1(NC(=O)c2ccc(CCC(F)(F)F)cc2)CCCCC1 ZINC000190486262 939035108 /nfs/dbraw/zinc/03/51/08/939035108.db2.gz DBLJQWVYOJASAT-UHFFFAOYSA-N -1 0 343.345 3.699 20 0 EHADRM CCc1ccccc1C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000193169823 939042500 /nfs/dbraw/zinc/04/25/00/939042500.db2.gz DPABNPVKTGKTGR-OAHLLOKOSA-N -1 0 335.762 3.597 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1cc(F)cc(Cl)c1)c1ccccc1F ZINC000684746188 939048666 /nfs/dbraw/zinc/04/86/66/939048666.db2.gz VRLYEGZUGANBRZ-CYBMUJFWSA-N -1 0 340.713 3.566 20 0 EHADRM CCc1cc(NC(=O)N[C@H](C(=O)[O-])c2ccccc2F)ccc1C ZINC000684747629 939049891 /nfs/dbraw/zinc/04/98/91/939049891.db2.gz CRBBXRUECUHNHO-INIZCTEOSA-N -1 0 330.359 3.644 20 0 EHADRM O=C([O-])C1(NC(=O)CCCc2c[nH]c3ccccc23)CCCCCC1 ZINC000237922999 939051409 /nfs/dbraw/zinc/05/14/09/939051409.db2.gz VCKPIZISQGHDPL-UHFFFAOYSA-N -1 0 342.439 3.784 20 0 EHADRM O=C(/C=C/c1nc2ccccc2s1)NC1(C(=O)[O-])CCCCCC1 ZINC000237962468 939052902 /nfs/dbraw/zinc/05/29/02/939052902.db2.gz PXNRPVLDXKRIMT-MDZDMXLPSA-N -1 0 344.436 3.603 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(SC(F)F)cc1)c1ccccc1 ZINC000238014538 939054741 /nfs/dbraw/zinc/05/47/41/939054741.db2.gz NHBVGEGESBXLNS-ZDUSSCGKSA-N -1 0 337.347 3.557 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000746366658 939062026 /nfs/dbraw/zinc/06/20/26/939062026.db2.gz ZLFXCPAASXFNFO-AWEZNQCLSA-N -1 0 335.469 3.602 20 0 EHADRM C/C(=C/C(=O)N[C@](C)(C(=O)[O-])c1ccccc1)c1ccccc1Cl ZINC000766961306 939081704 /nfs/dbraw/zinc/08/17/04/939081704.db2.gz FFSKVHQHLZQGGD-HSNDNRACSA-N -1 0 343.810 3.860 20 0 EHADRM Cc1cc(/C=C/C(=O)N[C@H](C(=O)[O-])C2CC2)c(C)n1C1CCCCC1 ZINC000767041823 939086391 /nfs/dbraw/zinc/08/63/91/939086391.db2.gz QGNIKSSXNKCQHK-VYENPZKTSA-N -1 0 344.455 3.603 20 0 EHADRM CC[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1)c1ccccc1 ZINC000262936187 939087980 /nfs/dbraw/zinc/08/79/80/939087980.db2.gz GGYWXNIHGJEPIA-WBVHZDCISA-N -1 0 329.371 3.570 20 0 EHADRM O=C([O-])C1(NC(=O)C[C@H](Cc2ccccc2)c2ccccc2)CCC1 ZINC000263176769 939107077 /nfs/dbraw/zinc/10/70/77/939107077.db2.gz UBTWFRURANRAEL-SFHVURJKSA-N -1 0 337.419 3.527 20 0 EHADRM C[C@](NC(=O)c1cc(Cl)ccc1Cl)(C(=O)[O-])c1ccccc1 ZINC000315124803 939121495 /nfs/dbraw/zinc/12/14/95/939121495.db2.gz XTRCRMXARRYITC-MRXNPFEDSA-N -1 0 338.190 3.723 20 0 EHADRM CCCCc1ccc(CC(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000323894415 939125740 /nfs/dbraw/zinc/12/57/40/939125740.db2.gz OCDHEPZBIYVRBY-IBGZPJMESA-N -1 0 325.408 3.514 20 0 EHADRM CCCCSCCC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000345824701 939128478 /nfs/dbraw/zinc/12/84/78/939128478.db2.gz MOHYLLCLNXUORJ-AWEZNQCLSA-N -1 0 347.839 3.644 20 0 EHADRM CCC1CCC(NC(=O)C[C@@H](C)c2ccc(OC)cc2)(C(=O)[O-])CC1 ZINC000346021401 939129143 /nfs/dbraw/zinc/12/91/43/939129143.db2.gz VWQJYENKIVPWPU-ZUIJCZDSSA-N -1 0 347.455 3.729 20 0 EHADRM C[C@@](NC(=O)c1cc2ccccc2s1)(C(=O)[O-])c1ccccc1 ZINC000390701597 939136051 /nfs/dbraw/zinc/13/60/51/939136051.db2.gz UBGCQWKGTKXBTL-SFHVURJKSA-N -1 0 325.389 3.631 20 0 EHADRM O=C([O-])C1(NC(=O)CCCn2ccc3cc(Cl)ccc32)CCCC1 ZINC000431206123 939149216 /nfs/dbraw/zinc/14/92/16/939149216.db2.gz JMOPQCNHDPYBJC-UHFFFAOYSA-N -1 0 348.830 3.589 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N[C@H](C(=O)[O-])c3ccccc3)s2)o1 ZINC000431426776 939149392 /nfs/dbraw/zinc/14/93/92/939149392.db2.gz JXRDCKBETOFXQV-INIZCTEOSA-N -1 0 341.388 3.872 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2)c1)C1CC1 ZINC000431456089 939151963 /nfs/dbraw/zinc/15/19/63/939151963.db2.gz KDMKPWMRDYGRFT-INIZCTEOSA-N -1 0 345.782 3.725 20 0 EHADRM Cc1ccccc1CNC(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC000797704057 939160402 /nfs/dbraw/zinc/16/04/02/939160402.db2.gz PMJANMMHLJURBQ-IBGZPJMESA-N -1 0 348.402 3.773 20 0 EHADRM Cc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)ccc1F ZINC000431858914 939162985 /nfs/dbraw/zinc/16/29/85/939162985.db2.gz PVKOBLRKLKHRQF-GOSISDBHSA-N -1 0 337.350 3.843 20 0 EHADRM CCCc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(OC)cc2)cc1 ZINC000797735218 939197945 /nfs/dbraw/zinc/19/79/45/939197945.db2.gz GXCQMQADHGTEHG-KRWDZBQOSA-N -1 0 342.395 3.595 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC000448998019 939206772 /nfs/dbraw/zinc/20/67/72/939206772.db2.gz VJVJZTIKCWQOLQ-IINYFYTJSA-N -1 0 337.828 3.522 20 0 EHADRM Cc1ccc(CCCCC(=O)N[C@@H](C(=O)[O-])c2cccs2)cc1 ZINC000448997958 939206785 /nfs/dbraw/zinc/20/67/85/939206785.db2.gz UZVDUDDFLHCJGD-QGZVFWFLSA-N -1 0 331.437 3.711 20 0 EHADRM COc1ccc([C@@H](NC(=O)/C=C(\C)C(C)(C)C)C(=O)[O-])cc1Cl ZINC000836754438 939225083 /nfs/dbraw/zinc/22/50/83/939225083.db2.gz IIWAPZAEDXXKHT-TUPIDYKKSA-N -1 0 339.819 3.583 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1cccc(SC(F)F)c1)C1CCCC1 ZINC000852951551 939240703 /nfs/dbraw/zinc/24/07/03/939240703.db2.gz QZPKBKDFTSKUOJ-LBPRGKRZSA-N -1 0 329.368 3.831 20 0 EHADRM Cc1ccc(F)c(NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)c1 ZINC000517273056 939247992 /nfs/dbraw/zinc/24/79/92/939247992.db2.gz NLTUAGFFQGIDTH-OAHLLOKOSA-N -1 0 334.322 3.529 20 0 EHADRM CSCCCCCCC(=O)N[C@H](C(=O)[O-])c1cccc(C)c1C ZINC000864147872 939252568 /nfs/dbraw/zinc/25/25/68/939252568.db2.gz RFWAGQJPTOIDAZ-KRWDZBQOSA-N -1 0 337.485 3.859 20 0 EHADRM CC[C@H](C)c1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccccn2)c1 ZINC000864582703 939259169 /nfs/dbraw/zinc/25/91/69/939259169.db2.gz DMIRXKKXOQVKGI-BLLLJJGKSA-N -1 0 327.384 3.543 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@H]1CCCC12CC2)c1cccc(C(F)(F)F)c1 ZINC000872745277 939263643 /nfs/dbraw/zinc/26/36/43/939263643.db2.gz JNVIGFJFYAGFOG-CHWSQXEVSA-N -1 0 341.329 3.528 20 0 EHADRM COc1ccc([C@@H](NC(=O)Nc2ccccc2C)C(=O)[O-])cc1Cl ZINC000555771653 939302779 /nfs/dbraw/zinc/30/27/79/939302779.db2.gz OKNXVSYWAMBVDV-OAHLLOKOSA-N -1 0 348.786 3.604 20 0 EHADRM CC(C)(C)Cc1nc2cc(NC(=O)NC3(C(=O)[O-])CCC3)ccc2o1 ZINC000555851364 939306018 /nfs/dbraw/zinc/30/60/18/939306018.db2.gz WSVWWOYVTIFUOA-UHFFFAOYSA-N -1 0 345.399 3.545 20 0 EHADRM CSc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(C)c(C)c2)cc1 ZINC000555851375 939306120 /nfs/dbraw/zinc/30/61/20/939306120.db2.gz XMTCPVODBAMOQR-INIZCTEOSA-N -1 0 344.436 3.973 20 0 EHADRM CN(CC(C)(C)C)C(=O)N[C@@H](C(=O)[O-])c1c(Cl)cccc1Cl ZINC000558692382 939311491 /nfs/dbraw/zinc/31/14/91/939311491.db2.gz HOQMDTHIBNUCHE-GFCCVEGCSA-N -1 0 347.242 3.807 20 0 EHADRM Cc1ccc([C@H](NC(=O)Nc2ccc(F)c(F)c2)C(=O)[O-])cc1C ZINC000559425421 939312713 /nfs/dbraw/zinc/31/27/13/939312713.db2.gz ZLQOWXPUPFEWLZ-HNNXBMFYSA-N -1 0 334.322 3.529 20 0 EHADRM Cc1cc(C)cc([C@H](NC(=O)Nc2ccc(F)c(C)c2)C(=O)[O-])c1 ZINC000559587584 939317748 /nfs/dbraw/zinc/31/77/48/939317748.db2.gz VYOMGHXKUJUOSO-INIZCTEOSA-N -1 0 330.359 3.698 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)N[C@H](C(=O)[O-])c2ccsc2)c1C ZINC000562458245 939331224 /nfs/dbraw/zinc/33/12/24/939331224.db2.gz QNUXVGJNOMCQBV-WFASDCNBSA-N -1 0 332.425 3.551 20 0 EHADRM CC(C)C[C@H](C)NC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000562459185 939332142 /nfs/dbraw/zinc/33/21/42/939332142.db2.gz MTOXISDOPHXVIG-GUYCJALGSA-N -1 0 328.412 3.699 20 0 EHADRM CCCOc1cccc(NC(=O)N[C@H](C(=O)[O-])C2CCCCC2)c1 ZINC000564748894 939345769 /nfs/dbraw/zinc/34/57/69/939345769.db2.gz DIXGVDIDAYWVQN-INIZCTEOSA-N -1 0 334.416 3.630 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1ccc(F)cc1)c1ccc(Cl)c(F)c1 ZINC000569427224 939375318 /nfs/dbraw/zinc/37/53/18/939375318.db2.gz VFIYBKMCTMYNAB-ZDUSSCGKSA-N -1 0 340.713 3.566 20 0 EHADRM CC[C@@H](NC(=O)N[C@H](C(=O)[O-])c1ccccc1)c1ccc(Cl)cc1 ZINC000570306717 939382392 /nfs/dbraw/zinc/38/23/92/939382392.db2.gz QPJQMHRDVPTWAD-CVEARBPZSA-N -1 0 346.814 3.916 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1cccc(C(F)(F)F)c1)c1ccsc1 ZINC000572099395 939396615 /nfs/dbraw/zinc/39/66/15/939396615.db2.gz MHDUKQWMLVYBQB-LLVKDONJSA-N -1 0 344.314 3.714 20 0 EHADRM CC(C)Sc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC000573864479 939721931 /nfs/dbraw/zinc/72/19/31/939721931.db2.gz LXIADCAGCRABTB-CQSZACIVSA-N -1 0 335.450 3.804 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000577243151 939745409 /nfs/dbraw/zinc/74/54/09/939745409.db2.gz HRWKEHIITIKOIJ-OAHLLOKOSA-N -1 0 343.379 3.905 20 0 EHADRM CC[C@@H](NC(=O)N[C@@H](C(=O)[O-])c1ccccc1)c1ccc(C)cc1 ZINC000578163128 939752173 /nfs/dbraw/zinc/75/21/73/939752173.db2.gz UYPNQTWKZOJNGL-IAGOWNOFSA-N -1 0 326.396 3.571 20 0 EHADRM CC(C)(CCC(=O)N[C@@H](C(=O)[O-])c1ccsc1)c1ccccc1 ZINC000579496005 939762898 /nfs/dbraw/zinc/76/28/98/939762898.db2.gz UFBLDNYDQDDTCS-MRXNPFEDSA-N -1 0 331.437 3.748 20 0 EHADRM CCc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)c1 ZINC000580271949 939769053 /nfs/dbraw/zinc/76/90/53/939769053.db2.gz HMPRHCSJGUPZOE-QGZVFWFLSA-N -1 0 326.396 3.813 20 0 EHADRM CCCOc1ccc(NC(=O)N[C@](C)(C(=O)[O-])C2CC2)cc1Cl ZINC000581685726 939779735 /nfs/dbraw/zinc/77/97/35/939779735.db2.gz HEOBUTLDWDFDIJ-INIZCTEOSA-N -1 0 340.807 3.504 20 0 EHADRM CCOc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1Cl ZINC000582744381 939786611 /nfs/dbraw/zinc/78/66/11/939786611.db2.gz BVRAQXLKWBPRGM-OAHLLOKOSA-N -1 0 348.786 3.686 20 0 EHADRM CC[C@@](NC(=O)NCc1cccc(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC000583043212 939788381 /nfs/dbraw/zinc/78/83/81/939788381.db2.gz BLIOGCOYUXKTAY-SFHVURJKSA-N -1 0 346.814 3.529 20 0 EHADRM CSCC1(CC(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)CC1 ZINC000593696098 939801929 /nfs/dbraw/zinc/80/19/29/939801929.db2.gz CPBWGMAWYAHMDW-KRWDZBQOSA-N -1 0 343.448 3.615 20 0 EHADRM C[C@@](NC(=O)c1cc2ccc(Cl)cc2[nH]1)(C(=O)[O-])c1ccccc1 ZINC001116300109 939810205 /nfs/dbraw/zinc/81/02/05/939810205.db2.gz IJKIJCMYZYMGNZ-SFHVURJKSA-N -1 0 342.782 3.551 20 0 EHADRM Cc1cc(C(F)F)oc1C(=O)N[C@@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC000630204087 939818182 /nfs/dbraw/zinc/81/81/82/939818182.db2.gz NUEIMFPAYHUEMY-CYBMUJFWSA-N -1 0 337.322 3.698 20 0 EHADRM CCO[C@H]1C[C@](NC(=O)CCC2CCCCCC2)(C(=O)[O-])C1(C)C ZINC000656241071 939841545 /nfs/dbraw/zinc/84/15/45/939841545.db2.gz GPZLGSZYSNUDOX-KXBFYZLASA-N -1 0 339.476 3.512 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1)c1cccs1 ZINC000659150788 939847917 /nfs/dbraw/zinc/84/79/17/939847917.db2.gz DVRHMRLXCDHRSM-BFYDXBDKSA-N -1 0 343.448 3.649 20 0 EHADRM Cc1cccc(COc2cccc(NC(=O)[C@H](C(=O)[O-])C3CC3)c2)c1 ZINC000663078099 939852983 /nfs/dbraw/zinc/85/29/83/939852983.db2.gz BLMMSNUUHSTAKA-GOSISDBHSA-N -1 0 339.391 3.623 20 0 EHADRM Cc1oc(C)c(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)c1C ZINC000671667100 939863468 /nfs/dbraw/zinc/86/34/68/939863468.db2.gz ANNIZWCLAOIOCP-SFHVURJKSA-N -1 0 337.375 3.914 20 0 EHADRM CC[C@H](CC(=O)N[C@]1(C(=O)[O-])CCc2ccccc21)c1ccccc1 ZINC000675991184 939867601 /nfs/dbraw/zinc/86/76/01/939867601.db2.gz MWCCEDWDNCIOHA-QVKFZJNVSA-N -1 0 337.419 3.613 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl)c1ccccc1F ZINC000678986465 939869127 /nfs/dbraw/zinc/86/91/27/939869127.db2.gz VVVCVUJGTZKPPU-WOSRLPQWSA-N -1 0 347.773 3.525 20 0 EHADRM C[C@H]1CCc2sc(C(=O)N[C@H](C(=O)[O-])c3ccccc3F)cc2C1 ZINC000678987278 939869272 /nfs/dbraw/zinc/86/92/72/939869272.db2.gz QJQKUZKQKIXPPV-QFYYESIMSA-N -1 0 347.411 3.568 20 0 EHADRM C[C@@H](NC(=O)N[C@H](C(=O)[O-])c1cccs1)c1cc2ccccc2o1 ZINC000684712530 939871380 /nfs/dbraw/zinc/87/13/80/939871380.db2.gz BHSLPTPVNYASKI-BMIGLBTASA-N -1 0 344.392 3.680 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cc3c(cccc3F)s2)C1 ZINC000321453552 970773475 /nfs/dbraw/zinc/77/34/75/970773475.db2.gz HUAYYXLRRWVWAE-NSHDSACASA-N -1 0 335.400 3.757 20 0 EHADRM CC1CCC(CNC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CC1 ZINC000321844758 970814148 /nfs/dbraw/zinc/81/41/48/970814148.db2.gz INESVUKPFZWCTC-UHFFFAOYSA-N -1 0 326.343 3.611 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)Nc2cccc(C(=O)[O-])c2C)s1 ZINC000321884474 970821248 /nfs/dbraw/zinc/82/12/48/970821248.db2.gz QRYBQWHQIOSHJE-SNVBAGLBSA-N -1 0 332.425 3.816 20 0 EHADRM Cc1cccc([C@H](NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C(C)(C)C)c1 ZINC001600516417 970821446 /nfs/dbraw/zinc/82/14/46/970821446.db2.gz LEJBOBQRLKWNDY-PMPSAXMXSA-N -1 0 332.444 3.635 20 0 EHADRM Cc1ccc(SCCC(=O)NC2(CC(=O)[O-])CCCCC2)cc1 ZINC000321959479 970829865 /nfs/dbraw/zinc/82/98/65/970829865.db2.gz FONDRXICHNJTQU-UHFFFAOYSA-N -1 0 335.469 3.771 20 0 EHADRM C[C@H](Cc1cccs1)N(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000322005335 970834927 /nfs/dbraw/zinc/83/49/27/970834927.db2.gz RQSCSCJCPHPTIC-SNVBAGLBSA-N -1 0 336.388 3.680 20 0 EHADRM Cc1nc(C(C)C)sc1[C@@H](C)OC(=O)c1ccc(C(=O)[O-])nc1 ZINC001600688175 970847880 /nfs/dbraw/zinc/84/78/80/970847880.db2.gz STERIXNPOGTBBG-SNVBAGLBSA-N -1 0 334.397 3.586 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000322143840 970851981 /nfs/dbraw/zinc/85/19/81/970851981.db2.gz RRZJOCOCUXQLJB-IUCAKERBSA-N -1 0 333.281 3.831 20 0 EHADRM CCC(CC)(CNC(=O)c1ccccc1SC(F)(F)F)C(=O)[O-] ZINC000322231564 970861641 /nfs/dbraw/zinc/86/16/41/970861641.db2.gz IYEUQLMNEGQRQB-UHFFFAOYSA-N -1 0 349.374 3.919 20 0 EHADRM Cn1c(S[C@@H](C(=O)[O-])C2CC2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC001600920032 970881454 /nfs/dbraw/zinc/88/14/54/970881454.db2.gz FWBXQLQKJXMXEN-CQSZACIVSA-N -1 0 345.468 3.735 20 0 EHADRM CC(C)(C(=O)Nc1ccc(Br)c(C(=O)[O-])c1)C1CCC1 ZINC000322358312 970877052 /nfs/dbraw/zinc/87/70/52/970877052.db2.gz HCZSBCGOEBCYPF-UHFFFAOYSA-N -1 0 340.217 3.912 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)Nc2cc(F)cc(Cl)c2)C1 ZINC000322490348 970892327 /nfs/dbraw/zinc/89/23/27/970892327.db2.gz ALZXZWBVZJGETB-JTQLQIEISA-N -1 0 342.798 3.834 20 0 EHADRM Cc1c(C(=O)N2CC[C@H](C)C[C@H]2C(=O)[O-])sc2cccc(F)c12 ZINC000322573414 970905154 /nfs/dbraw/zinc/90/51/54/970905154.db2.gz HHCGGLNIFRXSSI-CABZTGNLSA-N -1 0 335.400 3.674 20 0 EHADRM Cc1cc(NC(=O)c2cc(Cl)nc(C(C)(C)C)c2)c(C(=O)[O-])[nH]1 ZINC000323005606 970956990 /nfs/dbraw/zinc/95/69/90/970956990.db2.gz MGIRYLMZBHKJCV-UHFFFAOYSA-N -1 0 335.791 3.620 20 0 EHADRM O=C([O-])c1cccc(NC(=O)NC[C@@H]2CC=CC[C@H]2C(F)(F)F)c1 ZINC001601519352 971010203 /nfs/dbraw/zinc/01/02/03/971010203.db2.gz XRHMFEDIUAMUOT-WCQYABFASA-N -1 0 342.317 3.651 20 0 EHADRM CC(C)CCC[C@@H](C)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000323971983 971068827 /nfs/dbraw/zinc/06/88/27/971068827.db2.gz INUPCMGUSXEPAV-SNVBAGLBSA-N -1 0 328.359 3.999 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)/C=C\c1ccccc1F ZINC000324224096 971098391 /nfs/dbraw/zinc/09/83/91/971098391.db2.gz QMWAAVQPSPWVQX-KHPPLWFESA-N -1 0 325.339 3.517 20 0 EHADRM CCCCOc1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000324289813 971106194 /nfs/dbraw/zinc/10/61/94/971106194.db2.gz MZWUIUQKKBHTFE-UHFFFAOYSA-N -1 0 331.343 3.955 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)/C=C\c1cccc(F)c1 ZINC000324316915 971108345 /nfs/dbraw/zinc/10/83/45/971108345.db2.gz SQZOEQCBFNATSZ-KTKRTIGZSA-N -1 0 325.339 3.517 20 0 EHADRM O=C([O-])CCCNC(=O)N[C@@H](c1ccc(F)cc1)C1CCCCC1 ZINC001601991507 971118657 /nfs/dbraw/zinc/11/86/57/971118657.db2.gz SCFGQBNUKCBLOR-QGZVFWFLSA-N -1 0 336.407 3.611 20 0 EHADRM CCC[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F)C1CCC1 ZINC000324579953 971134858 /nfs/dbraw/zinc/13/48/58/971134858.db2.gz NMYVGMHBVBDCGO-NSHDSACASA-N -1 0 326.343 3.753 20 0 EHADRM Cc1ccccc1N(CCC(=O)[O-])C(=O)COc1ccc(Cl)cc1 ZINC000324603727 971138591 /nfs/dbraw/zinc/13/85/91/971138591.db2.gz IJHCIWQOEWTBOE-UHFFFAOYSA-N -1 0 347.798 3.535 20 0 EHADRM Cc1c2ccccc2oc1C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000324652382 971143240 /nfs/dbraw/zinc/14/32/40/971143240.db2.gz AMLGQBSLDROBNQ-UHFFFAOYSA-N -1 0 329.396 3.896 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2cc3ccccc3c(Cl)n2)c1 ZINC000324684202 971147401 /nfs/dbraw/zinc/14/74/01/971147401.db2.gz QCTVFBPKCOKWEO-UHFFFAOYSA-N -1 0 344.729 3.978 20 0 EHADRM C[C@H](c1ccccc1F)N(C)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000324730350 971153147 /nfs/dbraw/zinc/15/31/47/971153147.db2.gz JDRBWQNGVQAZTM-GFCCVEGCSA-N -1 0 330.359 3.678 20 0 EHADRM CCN(CC)c1ccc(NC(=O)CC2(CC(=O)[O-])CCCC2)cc1 ZINC000324775174 971156083 /nfs/dbraw/zinc/15/60/83/971156083.db2.gz FMPRXKQYTXAACB-UHFFFAOYSA-N -1 0 332.444 3.897 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2cc(C(F)(F)F)ccc2F)C1 ZINC000324950999 971171979 /nfs/dbraw/zinc/17/19/79/971171979.db2.gz GWSKDCQLDYPKLP-CQSZACIVSA-N -1 0 348.296 3.563 20 0 EHADRM O=C([O-])c1cnc(-c2nc(-c3ccc(-c4ccccc4)cc3)no2)cn1 ZINC001602507155 971211380 /nfs/dbraw/zinc/21/13/80/971211380.db2.gz OFODRRMIIBWNRJ-UHFFFAOYSA-N -1 0 344.330 3.559 20 0 EHADRM O=C([O-])c1cc(NC(=O)C2C3CC4CC(C3)CC2C4)c(F)cc1F ZINC000325474134 971219211 /nfs/dbraw/zinc/21/92/11/971219211.db2.gz VZXTUOJSXFOLTB-UHFFFAOYSA-N -1 0 335.350 3.674 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2F)Cc2ccccc21 ZINC000325706336 971237164 /nfs/dbraw/zinc/23/71/64/971237164.db2.gz RHEWGCRDLHEVQO-CYBMUJFWSA-N -1 0 348.761 3.695 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)Cc2ccccc2C(=O)[O-])c1 ZINC000325807402 971244890 /nfs/dbraw/zinc/24/48/90/971244890.db2.gz PAYJUWURZZKRDL-CYBMUJFWSA-N -1 0 327.380 3.743 20 0 EHADRM Cc1cccc(NC(=O)N2CCc3c(cccc3C(=O)[O-])C2)c1Cl ZINC000326479919 971296861 /nfs/dbraw/zinc/29/68/61/971296861.db2.gz GDSRTKUCOXBOTH-UHFFFAOYSA-N -1 0 344.798 3.937 20 0 EHADRM Cc1ccc([N+](=O)[O-])c(Oc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000326628711 971310800 /nfs/dbraw/zinc/31/08/00/971310800.db2.gz RNNNGLMACLOCTQ-DAXSKMNVSA-N -1 0 344.279 3.702 20 0 EHADRM COc1cc(NC(=O)N(Cc2cccs2)C(C)C)ccc1C(=O)[O-] ZINC000326908876 971343910 /nfs/dbraw/zinc/34/39/10/971343910.db2.gz NGLNPSYXPMNLGL-UHFFFAOYSA-N -1 0 348.424 3.897 20 0 EHADRM CC(C)c1ccc(OCC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000327057593 971360857 /nfs/dbraw/zinc/36/08/57/971360857.db2.gz OAELLAIDIIYFMU-MRXNPFEDSA-N -1 0 347.455 3.538 20 0 EHADRM Cc1cc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)c2ccccc2n1 ZINC000327199292 971375740 /nfs/dbraw/zinc/37/57/40/971375740.db2.gz CFPKQAOLBBEMDE-IBGZPJMESA-N -1 0 332.403 3.727 20 0 EHADRM CCn1nc(C(C)C)cc1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000327479863 971402223 /nfs/dbraw/zinc/40/22/23/971402223.db2.gz ZUMVSXDXWONUBK-UHFFFAOYSA-N -1 0 343.427 3.641 20 0 EHADRM O=C([O-])[C@H]1CN(c2ccc(C(F)F)cc2[N+](=O)[O-])Cc2ccccc21 ZINC000327850933 971428654 /nfs/dbraw/zinc/42/86/54/971428654.db2.gz UJBSGMOBLDXKHL-ZDUSSCGKSA-N -1 0 348.305 3.721 20 0 EHADRM CC(C)c1nc2cc(NC(=O)Cc3ccccc3C(=O)[O-])ccc2o1 ZINC000327984362 971438937 /nfs/dbraw/zinc/43/89/37/971438937.db2.gz QPQSIALLYKGGPR-UHFFFAOYSA-N -1 0 338.363 3.831 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)o1 ZINC001602772636 971505169 /nfs/dbraw/zinc/50/51/69/971505169.db2.gz NPWIEQPWTORISX-MRVPVSSYSA-N -1 0 347.392 3.619 20 0 EHADRM CC[C@H](NC(=O)Nc1cccnc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001589565591 948863678 /nfs/dbraw/zinc/86/36/78/948863678.db2.gz GUPBSFFVCKPOEQ-LBPRGKRZSA-N -1 0 333.775 3.706 20 0 EHADRM CC[C@@H](NC(=O)Nc1cccnc1C(=O)[O-])c1cc(C)ccc1C ZINC001589565770 948867301 /nfs/dbraw/zinc/86/73/01/948867301.db2.gz IMLGMTMYRIJAQF-CQSZACIVSA-N -1 0 327.384 3.669 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)c2cc3cc(F)ccc3s2)c1 ZINC000336877752 971516097 /nfs/dbraw/zinc/51/60/97/971516097.db2.gz VIIVCEOQWNVYRF-UHFFFAOYSA-N -1 0 345.351 3.756 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N(C)[C@@H](C)C(=O)[O-])c(F)c2)cc1C ZINC000342541099 971518003 /nfs/dbraw/zinc/51/80/03/971518003.db2.gz FLHQCCFPBCHCLG-ZDUSSCGKSA-N -1 0 329.371 3.655 20 0 EHADRM CCN(C(=O)c1cccc(OCC(=O)[O-])c1)[C@@H](C)c1ccc(F)cc1 ZINC000345768828 971519050 /nfs/dbraw/zinc/51/90/50/971519050.db2.gz BKRZEALJSWGUPV-ZDUSSCGKSA-N -1 0 345.370 3.512 20 0 EHADRM O=C([O-])CCCCC(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000342547350 971519116 /nfs/dbraw/zinc/51/91/16/971519116.db2.gz ODAZUABEZCFHEA-GFCCVEGCSA-N -1 0 330.211 3.742 20 0 EHADRM CCCC[C@H](NC(=O)C(C)(C)c1ccc(OCC(C)C)cc1)C(=O)[O-] ZINC000347253355 971521624 /nfs/dbraw/zinc/52/16/24/971521624.db2.gz ANSIVLXHUBXQFT-KRWDZBQOSA-N -1 0 349.471 3.759 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000062842746 948953980 /nfs/dbraw/zinc/95/39/80/948953980.db2.gz LIYZBKUJCRWTHO-UHFFFAOYSA-N -1 0 331.199 3.712 20 0 EHADRM Cc1cc2[nH]c(C(=O)Nc3ccc(OCC(=O)[O-])cc3)cc2c(C)c1 ZINC000347989574 971527601 /nfs/dbraw/zinc/52/76/01/971527601.db2.gz DXHHPLDJHHXBNS-UHFFFAOYSA-N -1 0 338.363 3.500 20 0 EHADRM CCn1c(C(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)cc2ccccc21 ZINC000362744760 971536006 /nfs/dbraw/zinc/53/60/06/971536006.db2.gz KRYIEJMZHLLEIE-UHFFFAOYSA-N -1 0 340.379 3.533 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1ncccc1C(=O)[O-] ZINC001589587470 949066802 /nfs/dbraw/zinc/06/68/02/949066802.db2.gz SXRZVXFXIMJEAV-OAHLLOKOSA-N -1 0 342.395 3.699 20 0 EHADRM CC(C)[C@H]1CCC[C@@H](Nc2nc(-c3nnn[n-]3)c(Cl)s2)C1 ZINC001574093600 949110324 /nfs/dbraw/zinc/11/03/24/949110324.db2.gz WLFDYHSRDKSQFN-DTWKUNHWSA-N -1 0 326.857 3.603 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2sccc2C2CC2)C[C@H]1c1ccccc1 ZINC000367771293 971549720 /nfs/dbraw/zinc/54/97/20/971549720.db2.gz KPCSYJCCZTUGSL-JKSUJKDBSA-N -1 0 341.432 3.566 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2ccc(F)cc2SC)C1 ZINC001589598971 949193405 /nfs/dbraw/zinc/19/34/05/949193405.db2.gz ZJUVWFATZYOAJZ-INIZCTEOSA-N -1 0 340.420 3.656 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H](c2ccc(F)cc2F)C2CC2)cc1 ZINC001595215393 949218378 /nfs/dbraw/zinc/21/83/78/949218378.db2.gz CKBLCXYWBMTAOI-MRXNPFEDSA-N -1 0 331.318 3.544 20 0 EHADRM CC[C@@H]1CCc2c(sc(NC(=O)c3ocnc3C)c2C(=O)[O-])C1 ZINC001589625184 949471315 /nfs/dbraw/zinc/47/13/15/949471315.db2.gz XGKBSHSIPCTHRR-SECBINFHSA-N -1 0 334.397 3.510 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)N2CCC[C@H]2C2CCCCC2)c1 ZINC001595243468 949491182 /nfs/dbraw/zinc/49/11/82/949491182.db2.gz CDWSCJXPGWQUKO-KRWDZBQOSA-N -1 0 330.428 3.639 20 0 EHADRM O=C([O-])CCNC(=O)c1cc(Cl)ccc1Sc1ccccc1 ZINC000190597086 949500949 /nfs/dbraw/zinc/50/09/49/949500949.db2.gz DUXXKEFNKJZMAO-UHFFFAOYSA-N -1 0 335.812 3.696 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)c1 ZINC000190877065 949501860 /nfs/dbraw/zinc/50/18/60/949501860.db2.gz NLECWZMHMQVWHA-UHFFFAOYSA-N -1 0 349.346 3.565 20 0 EHADRM Cc1c(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)cnn1C1CCCC1 ZINC000190980577 949505382 /nfs/dbraw/zinc/50/53/82/949505382.db2.gz UBIRLOBTSQGZLZ-UHFFFAOYSA-N -1 0 327.384 3.566 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccc(F)cc1F ZINC000191207006 949506517 /nfs/dbraw/zinc/50/65/17/949506517.db2.gz WRXACOVXJFVXMY-OLZOCXBDSA-N -1 0 339.382 3.562 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2ccc(SC(F)(F)F)nc2)c1 ZINC001595248803 949531392 /nfs/dbraw/zinc/53/13/92/949531392.db2.gz JFVCJLMUQDYZIA-UHFFFAOYSA-N -1 0 342.298 3.644 20 0 EHADRM CCC[C@H](NC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)C1CCC1 ZINC001589633895 949582306 /nfs/dbraw/zinc/58/23/06/949582306.db2.gz ICMPEEQCAFQALF-YESZJQIVSA-N -1 0 330.428 3.568 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)c1[nH]c2ccc(F)cc2c1Cl ZINC001595255880 949610411 /nfs/dbraw/zinc/61/04/11/949610411.db2.gz HEXSXIQAFZLMIK-UHFFFAOYSA-N -1 0 346.745 3.589 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)N(Cc2ccccc2)CC2CCC2)c1 ZINC001595262613 949696117 /nfs/dbraw/zinc/69/61/17/949696117.db2.gz NTBVNFLAIFKBMH-UHFFFAOYSA-N -1 0 339.395 3.614 20 0 EHADRM CCCCN(C)c1ccc(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)cc1 ZINC001589647664 949749507 /nfs/dbraw/zinc/74/95/07/949749507.db2.gz IMKFOSPNPUWKOT-BBRMVZONSA-N -1 0 335.448 3.544 20 0 EHADRM O=C([O-])c1cncc(NC(=O)N(Cc2ccccc2F)C2CCC2)c1 ZINC001595270352 949819628 /nfs/dbraw/zinc/81/96/28/949819628.db2.gz AWZHEESJDJRIQD-UHFFFAOYSA-N -1 0 343.358 3.506 20 0 EHADRM CCCCn1ncc(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1CC ZINC001589658893 949829837 /nfs/dbraw/zinc/82/98/37/949829837.db2.gz IASDNJSVYUHARW-UHFFFAOYSA-N -1 0 329.400 3.505 20 0 EHADRM Cc1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1Br ZINC000235915141 949885280 /nfs/dbraw/zinc/88/52/80/949885280.db2.gz JKBKEFNXFXJRQY-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)c1ccc(OCC2CCCCC2)cc1 ZINC001589666121 949894711 /nfs/dbraw/zinc/89/47/11/949894711.db2.gz MWTXMBKRRGJCDC-UHFFFAOYSA-N -1 0 333.428 3.583 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)c1ccc(OCC2CCCCC2)cc1)C1CC1 ZINC001602815411 971617556 /nfs/dbraw/zinc/61/75/56/971617556.db2.gz TWSJCIFCAJICQF-CQSZACIVSA-N -1 0 345.439 3.723 20 0 EHADRM CCCOc1ccc(CCC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000236794369 949936577 /nfs/dbraw/zinc/93/65/77/949936577.db2.gz JQXCFLJIMIJXHX-QGZVFWFLSA-N -1 0 347.455 3.654 20 0 EHADRM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCCCCCC(=O)[O-] ZINC000237653880 949970333 /nfs/dbraw/zinc/97/03/33/949970333.db2.gz NMUYHFWDSYJTCF-AWEZNQCLSA-N -1 0 335.444 3.513 20 0 EHADRM CC(C)COc1ccc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000261634574 950045985 /nfs/dbraw/zinc/04/59/85/950045985.db2.gz HQZXWZNLJZXIPE-INIZCTEOSA-N -1 0 333.428 3.581 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000262171983 950077812 /nfs/dbraw/zinc/07/78/12/950077812.db2.gz QLVFSIMAKVOISU-ZACQAIPSSA-N -1 0 343.810 3.656 20 0 EHADRM O=C([O-])Cc1sccc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000379298830 971632248 /nfs/dbraw/zinc/63/22/48/971632248.db2.gz YMHSZWKGNLMRHY-UHFFFAOYSA-N -1 0 330.192 3.934 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)c1 ZINC000262375134 950113526 /nfs/dbraw/zinc/11/35/26/950113526.db2.gz JGQVPUDTFSSVCC-KBPBESRZSA-N -1 0 345.345 3.724 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000263046903 950231675 /nfs/dbraw/zinc/23/16/75/950231675.db2.gz DCTQBQBCBMPUQL-RKDXNWHRSA-N -1 0 331.199 3.568 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc3c4c(cccc42)CC3)C1 ZINC000263048309 950232249 /nfs/dbraw/zinc/23/22/49/950232249.db2.gz DEVPKTOCJPRWMZ-IUODEOHRSA-N -1 0 338.407 3.513 20 0 EHADRM CCCn1ccc2ccc(NC(=O)N3C[C@H](C(=O)[O-])C[C@H](C)C3)cc21 ZINC000263115975 950272924 /nfs/dbraw/zinc/27/29/24/950272924.db2.gz LMAJIEIPZKAXDT-DZGCQCFKSA-N -1 0 343.427 3.626 20 0 EHADRM CCN(C(=O)Nc1ccccc1SC(F)(F)F)[C@@H](C)C(=O)[O-] ZINC001589707188 950303726 /nfs/dbraw/zinc/30/37/26/950303726.db2.gz ODRRCIVRNWRWLU-QMMMGPOBSA-N -1 0 336.335 3.625 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263302524 950357382 /nfs/dbraw/zinc/35/73/82/950357382.db2.gz GTOHFZUCHXQPHN-FPMFFAJLSA-N -1 0 344.411 3.554 20 0 EHADRM CCCN(C(=O)CCCCC(=O)[O-])[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000263329699 950375225 /nfs/dbraw/zinc/37/52/25/950375225.db2.gz UNOAUQPKSBNMGL-HZPDHXFCSA-N -1 0 339.476 3.608 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc(-c3ccc(F)cc3)s2)C1 ZINC000263337986 950381266 /nfs/dbraw/zinc/38/12/66/950381266.db2.gz MVPZUASKPSXKBX-WCQYABFASA-N -1 0 347.411 3.737 20 0 EHADRM C[C@@H](C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1ccc2ccccc2c1 ZINC000263365177 950408548 /nfs/dbraw/zinc/40/85/48/950408548.db2.gz SYFDEABJJFDQNV-LBTNJELSSA-N -1 0 325.408 3.513 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000263515765 950498820 /nfs/dbraw/zinc/49/88/20/950498820.db2.gz DQNDYALCXGOKPT-PBHICJAKSA-N -1 0 341.382 3.519 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc3c(s2)CC[C@H](C)C3)C1 ZINC000320497037 950990456 /nfs/dbraw/zinc/99/04/56/950990456.db2.gz XFSYDDPXJVYIKD-SGTLLEGYSA-N -1 0 335.469 3.590 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)C1CCC(C(F)(F)F)CC1 ZINC000322164441 951026295 /nfs/dbraw/zinc/02/62/95/951026295.db2.gz WDYIHZPTKFITIY-BPCQOVAHSA-N -1 0 335.366 3.601 20 0 EHADRM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2c(C)cccc2C(=O)[O-])c1 ZINC000323973827 951056703 /nfs/dbraw/zinc/05/67/03/951056703.db2.gz WPNBTJLHHZZUHG-UHFFFAOYSA-N -1 0 346.364 3.576 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCCC[C@@H]2CCC(=O)[O-])o1 ZINC000324265758 951064903 /nfs/dbraw/zinc/06/49/03/951064903.db2.gz IXVHAEMRQYCMFD-IIAWOOMASA-N -1 0 333.428 3.582 20 0 EHADRM CC[C@H](CNC(=O)Nc1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC000325709587 951090725 /nfs/dbraw/zinc/09/07/25/951090725.db2.gz RUOYEPKGBLBHKE-CYBMUJFWSA-N -1 0 328.368 3.711 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)c1cc(O)c2ccccc2c1)C(=O)[O-] ZINC001602861349 971720667 /nfs/dbraw/zinc/72/06/67/971720667.db2.gz SXWALDBVQXUPCS-OAHLLOKOSA-N -1 0 329.396 3.555 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)C[C@@H]1C[C@H]1Cc1ccccc1)C(=O)[O-] ZINC001602861142 971718095 /nfs/dbraw/zinc/71/80/95/971718095.db2.gz KMAIMZBLHBPJCE-IXDOHACOSA-N -1 0 331.456 3.651 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000364184340 951138198 /nfs/dbraw/zinc/13/81/98/951138198.db2.gz RHKYURAZWIXTEB-UHFFFAOYSA-N -1 0 337.419 3.609 20 0 EHADRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)Oc2ccc(Cl)c3ccccc23)CO1 ZINC001595007870 951226232 /nfs/dbraw/zinc/22/62/32/951226232.db2.gz ZEPTXFCRLLBMCE-VXGBXAGGSA-N -1 0 348.782 3.669 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Nc1snc2ccccc21 ZINC001595012085 951253607 /nfs/dbraw/zinc/25/36/07/951253607.db2.gz LFADMOHJLCVHLK-NSHDSACASA-N -1 0 333.413 3.548 20 0 EHADRM CCOc1ccc([C@@H](C)OC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC001592815168 951364564 /nfs/dbraw/zinc/36/45/64/951364564.db2.gz AXHIAGUKXUFYMV-LMMOQWNQSA-N -1 0 330.336 3.694 20 0 EHADRM CCOc1ccc([C@H](C)OC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC001592815170 951364674 /nfs/dbraw/zinc/36/46/74/951364674.db2.gz AXHIAGUKXUFYMV-MMRAYRKESA-N -1 0 330.336 3.694 20 0 EHADRM CCOc1cccc(CCC(=O)Nc2c(C)cccc2C(=O)[O-])c1 ZINC001592863330 951376756 /nfs/dbraw/zinc/37/67/56/951376756.db2.gz WZCSDZVTOJRTLN-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM O=C([O-])CCCCCNC(=O)[C@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC001595036068 951406643 /nfs/dbraw/zinc/40/66/43/951406643.db2.gz UAXVZIUHJNVFTM-JSGCOSHPSA-N -1 0 341.810 3.734 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000392068459 951411446 /nfs/dbraw/zinc/41/14/46/951411446.db2.gz KBWLNMRGHXKUHS-UHFFFAOYSA-N -1 0 344.333 3.732 20 0 EHADRM Cc1ccc2cccc(NC(=O)N3CCC[C@H](CCC(=O)[O-])C3)c2n1 ZINC000392892802 951428353 /nfs/dbraw/zinc/42/83/53/951428353.db2.gz KAPPGDREYMKLLQ-CQSZACIVSA-N -1 0 341.411 3.652 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)NCCc2ccccc2Cl)c1 ZINC001595066922 951560136 /nfs/dbraw/zinc/56/01/36/951560136.db2.gz TXBLHWQBLPYUJT-UHFFFAOYSA-N -1 0 346.814 3.721 20 0 EHADRM O=C([O-])COc1ccc(C(=O)Nc2ccc3c4c(cccc42)CC3)cc1 ZINC001595118868 951959808 /nfs/dbraw/zinc/95/98/08/951959808.db2.gz BDHQXSTWKPNRDY-UHFFFAOYSA-N -1 0 347.370 3.654 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Cc2cc3cc(Cl)ccc3[nH]2)c1 ZINC001595130372 952030577 /nfs/dbraw/zinc/03/05/77/952030577.db2.gz ZQRLXIRVZLLJPL-UHFFFAOYSA-N -1 0 342.782 3.630 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N(Cc1ccccc1F)c1ccccc1F ZINC001595172123 952224522 /nfs/dbraw/zinc/22/45/22/952224522.db2.gz BBWXEOKOICMCBC-UONOGXRCSA-N -1 0 345.345 3.609 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N[C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC001595179242 952244661 /nfs/dbraw/zinc/24/46/61/952244661.db2.gz IOXPQPYWEGVNDD-SLBVQIDZSA-N -1 0 335.831 3.593 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N[C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC001595179240 952245094 /nfs/dbraw/zinc/24/50/94/952245094.db2.gz IOXPQPYWEGVNDD-DTZQCDIJSA-N -1 0 335.831 3.593 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H](F)CC2CCCCC2)C[C@H]1c1ccccc1 ZINC001595184012 952257180 /nfs/dbraw/zinc/25/71/80/952257180.db2.gz GQEVTEFEBGPIOY-KSZLIROESA-N -1 0 347.430 3.622 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)N2CCC23CCCC3)c1Cl ZINC001595206241 952327586 /nfs/dbraw/zinc/32/75/86/952327586.db2.gz DCRMDAWGVJGZNX-UHFFFAOYSA-N -1 0 326.755 3.728 20 0 EHADRM O=C([O-])c1cc(NC(=O)C2(Cc3cccc(Cl)c3)CC2)ccc1O ZINC001595208138 952346118 /nfs/dbraw/zinc/34/61/18/952346118.db2.gz QYWDIFKMIMRNNJ-UHFFFAOYSA-N -1 0 345.782 3.705 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)ccc2[nH]1 ZINC001602925609 971889173 /nfs/dbraw/zinc/88/91/73/971889173.db2.gz NTKLUSWSOGHGAY-ZDUSSCGKSA-N -1 0 331.416 3.546 20 0 EHADRM O=C([O-])C1(CNC(=O)c2ccc(-c3cccc(F)c3)s2)CCC1 ZINC001594741216 953363440 /nfs/dbraw/zinc/36/34/40/953363440.db2.gz JZCYLAVXTIMTFY-UHFFFAOYSA-N -1 0 333.384 3.539 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCCc2cccc(-c3ccccc3)c2)C1 ZINC000414434920 953394431 /nfs/dbraw/zinc/39/44/31/953394431.db2.gz AHDXWIYOOGJMGO-RBUKOAKNSA-N -1 0 337.419 3.513 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Cc2cc(Cl)cc3ccccc32)C1 ZINC001589269484 953403059 /nfs/dbraw/zinc/40/30/59/953403059.db2.gz YJCCZWUXNXNHIU-IUODEOHRSA-N -1 0 345.826 3.605 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccccc2COC(C)(C)C)C1 ZINC001589272078 953418896 /nfs/dbraw/zinc/41/88/96/953418896.db2.gz KBRAJHKEOJZQGK-HIFRSBDPSA-N -1 0 348.443 3.576 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)[O-] ZINC001593604919 953427689 /nfs/dbraw/zinc/42/76/89/953427689.db2.gz JGNDWZMRCNSCGA-LLVKDONJSA-N -1 0 341.285 3.558 20 0 EHADRM C[C@@H]1CCCN(Cc2csc(-c3ccccc3F)n2)[C@@H]1C(=O)[O-] ZINC000424268043 953446382 /nfs/dbraw/zinc/44/63/82/953446382.db2.gz KXEKLUCESVUWIE-ABAIWWIYSA-N -1 0 334.416 3.634 20 0 EHADRM CCC(CC)(CNC(=O)N(C)[C@@H](C)c1cc(F)ccc1F)C(=O)[O-] ZINC000424416489 953478396 /nfs/dbraw/zinc/47/83/96/953478396.db2.gz VGULTBYRIFRGDW-NSHDSACASA-N -1 0 342.386 3.558 20 0 EHADRM CC(C)C[C@H](CNC(=O)N(C)Cc1cccc2ccccc21)C(=O)[O-] ZINC000424428947 953485338 /nfs/dbraw/zinc/48/53/38/953485338.db2.gz YNKUAKWWLRNIFM-QGZVFWFLSA-N -1 0 342.439 3.728 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000449006229 953509044 /nfs/dbraw/zinc/50/90/44/953509044.db2.gz YDCMWKQWKZWVDE-PVAVHDDUSA-N -1 0 347.455 3.537 20 0 EHADRM O=C([O-])c1cccc(NC(=O)NC[C@@H]2[C@@H](c3ccccc3)C2(F)F)c1 ZINC001594766384 953534868 /nfs/dbraw/zinc/53/48/68/953534868.db2.gz XBGAFGOQFMUJKB-HUUCEWRRSA-N -1 0 346.333 3.555 20 0 EHADRM C[C@@H]1CC(C)(C)c2cccc(NC(=O)[C@@H]3CO[C@@H](CCC(=O)[O-])C3)c21 ZINC001589284285 953543098 /nfs/dbraw/zinc/54/30/98/953543098.db2.gz DLPCKPZMHWAAOS-RDBSUJKOSA-N -1 0 345.439 3.680 20 0 EHADRM CC[C@H]1CC[C@H](C(=O)Nc2sc3c(c2C(=O)[O-])COCC3)CC1 ZINC001593625542 953546656 /nfs/dbraw/zinc/54/66/56/953546656.db2.gz FZNMFKBQWCCTAX-XYPYZODXSA-N -1 0 337.441 3.674 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(COc3ccccc3)cc2)nc1 ZINC000521747287 953554078 /nfs/dbraw/zinc/55/40/78/953554078.db2.gz ZVRPWLHGBORZBN-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM CC(C)Oc1ccccc1[C@@H](C)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000540667517 953573831 /nfs/dbraw/zinc/57/38/31/953573831.db2.gz URWKBHPPNGNOFU-CYBMUJFWSA-N -1 0 327.380 3.663 20 0 EHADRM CCc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2)cc1CC ZINC001593635196 953604871 /nfs/dbraw/zinc/60/48/71/953604871.db2.gz FBPHFFSOUQHQBI-GOSISDBHSA-N -1 0 325.408 3.676 20 0 EHADRM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC001589291560 953605160 /nfs/dbraw/zinc/60/51/60/953605160.db2.gz LGZYXVWFNQSGTB-NHYWBVRUSA-N -1 0 343.358 3.534 20 0 EHADRM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)o1 ZINC001593636672 953612418 /nfs/dbraw/zinc/61/24/18/953612418.db2.gz HSTYLSNZRKAUIR-HLPPOEQASA-N -1 0 333.428 3.643 20 0 EHADRM C[C@H]1CCN(C(=O)CCCc2ccc3ccccc3c2)C[C@H]1C(=O)[O-] ZINC000566235799 953623900 /nfs/dbraw/zinc/62/39/00/953623900.db2.gz SYLBZKSCAYIVQO-HNAYVOBHSA-N -1 0 339.435 3.732 20 0 EHADRM CC(C)c1nc2cc(NC(=O)N3CC[C@@H](C)[C@H](C(=O)[O-])C3)ccc2o1 ZINC000567883622 953638517 /nfs/dbraw/zinc/63/85/17/953638517.db2.gz CCVWLTFTWNRTIC-DGCLKSJQSA-N -1 0 345.399 3.526 20 0 EHADRM CCc1cccc(OC)c1COC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001593641854 953648669 /nfs/dbraw/zinc/64/86/69/953648669.db2.gz NOQWJFNPSHXPJK-UHFFFAOYSA-N -1 0 334.412 3.726 20 0 EHADRM COc1cc2c(cc1CNc1cccc(CCC(=O)[O-])c1)O[C@@H](C)C2 ZINC000571862134 953663796 /nfs/dbraw/zinc/66/37/96/953663796.db2.gz JJUDOVVRPYWEMX-ZDUSSCGKSA-N -1 0 341.407 3.648 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@H]2CCc3cc(F)ccc32)c1 ZINC000572379637 953667448 /nfs/dbraw/zinc/66/74/48/953667448.db2.gz MEOYLMYNGMCDPC-KRWDZBQOSA-N -1 0 327.355 3.511 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N[C@H](C2CCCC2)C(F)(F)F)c1 ZINC000573094587 953672813 /nfs/dbraw/zinc/67/28/13/953672813.db2.gz KGKAVNHFEIHAAQ-CQSZACIVSA-N -1 0 344.333 3.556 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)C(c1ccccc1)c1ccccc1 ZINC001589299196 953679516 /nfs/dbraw/zinc/67/95/16/953679516.db2.gz IPUUCSDPALMYDP-QAPCUYQASA-N -1 0 337.419 3.530 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)N(Cc1ccc(F)cc1Cl)CC1CC1 ZINC001602961220 971950572 /nfs/dbraw/zinc/95/05/72/971950572.db2.gz RYBJEBUBLLOULW-HNNXBMFYSA-N -1 0 341.810 3.575 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1csc(-c2ccccc2)n1 ZINC001589303591 953714192 /nfs/dbraw/zinc/71/41/92/953714192.db2.gz ILIASFOUIJAIEC-AAEUAGOBSA-N -1 0 345.424 3.527 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1csnc1-c1ccccc1 ZINC001589304036 953721588 /nfs/dbraw/zinc/72/15/88/953721588.db2.gz LBEGUYYACYDLNT-YPMHNXCESA-N -1 0 345.424 3.527 20 0 EHADRM CCc1occc1C(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21 ZINC001593657914 953765410 /nfs/dbraw/zinc/76/54/10/953765410.db2.gz BXMYEDABIMJOMB-CYBMUJFWSA-N -1 0 327.380 3.526 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)NC1CCC(C(=O)[O-])CC1 ZINC001589310240 953782707 /nfs/dbraw/zinc/78/27/07/953782707.db2.gz FZSKRJOCXVDFEX-OHYMQKJLSA-N -1 0 338.492 3.637 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000610844153 953786026 /nfs/dbraw/zinc/78/60/26/953786026.db2.gz FFQSFAVTXQQMPU-ZDUSSCGKSA-N -1 0 335.425 3.525 20 0 EHADRM C[C@@H]1CN(C(=O)NC2CCC3(CCCCC3)CC2)CC[C@H]1C(=O)[O-] ZINC000626760683 953813632 /nfs/dbraw/zinc/81/36/32/953813632.db2.gz NKVMHRSQGPGNDT-GDBMZVCRSA-N -1 0 336.476 3.632 20 0 EHADRM C[C@@H]1CN(C(=O)NC2CCC3(CCCCC3)CC2)CC[C@@H]1C(=O)[O-] ZINC000626760690 953814262 /nfs/dbraw/zinc/81/42/62/953814262.db2.gz NKVMHRSQGPGNDT-ZBFHGGJFSA-N -1 0 336.476 3.632 20 0 EHADRM CC(C)(CCNC(=O)N[C@@H]1CCCc2ccc(Cl)cc21)C(=O)[O-] ZINC000626768699 953816364 /nfs/dbraw/zinc/81/63/64/953816364.db2.gz NTEXUCQKEHVSJF-CQSZACIVSA-N -1 0 338.835 3.518 20 0 EHADRM C[C@@H]1CCC[C@H](N(C)C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)C1 ZINC001589315235 953830314 /nfs/dbraw/zinc/83/03/14/953830314.db2.gz CXYKCJJYMUPTCZ-GFOFROLCSA-N -1 0 330.428 3.520 20 0 EHADRM CCCc1ccc(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)s1 ZINC000630155314 953841705 /nfs/dbraw/zinc/84/17/05/953841705.db2.gz HDFXAMUTRXQMKU-OAHLLOKOSA-N -1 0 329.421 3.525 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1ccn(Cc2ccccc2)c1 ZINC001594821730 953904519 /nfs/dbraw/zinc/90/45/19/953904519.db2.gz DYSXHZJHKQOPIE-UHFFFAOYSA-N -1 0 326.377 3.548 20 0 EHADRM C[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3)s2)[C@@H]1C(=O)[O-] ZINC001589329632 953942937 /nfs/dbraw/zinc/94/29/37/953942937.db2.gz NWYPOXFTJRUVTH-LRDDRELGSA-N -1 0 329.421 3.740 20 0 EHADRM CC(C)(C)Oc1ccccc1NC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647696680 953966686 /nfs/dbraw/zinc/96/66/86/953966686.db2.gz TYXCGZZHHWJZIG-UHFFFAOYSA-N -1 0 334.416 3.583 20 0 EHADRM C[C@H]1CCN(C(=O)C(C)(C)CCCc2ccccc2)C[C@H]1C(=O)[O-] ZINC000647755511 953975418 /nfs/dbraw/zinc/97/54/18/953975418.db2.gz NJWKAMCUAFAMDK-DOTOQJQBSA-N -1 0 331.456 3.605 20 0 EHADRM C[C@H]1CCN(C(=O)C2=C(c3ccccc3)CCCC2)C[C@H]1C(=O)[O-] ZINC001589336996 954002377 /nfs/dbraw/zinc/00/23/77/954002377.db2.gz RLLMMXGLWIBHNH-KBXCAEBGSA-N -1 0 327.424 3.583 20 0 EHADRM O=C([O-])[C@H](C(=O)NCc1ccc(-c2ccco2)cc1F)C1CCCC1 ZINC001594833953 954011422 /nfs/dbraw/zinc/01/14/22/954011422.db2.gz NCGHNZZZHCJQRT-KRWDZBQOSA-N -1 0 345.370 3.593 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cccc(N3CCCCCC3)c2)C1 ZINC000653304526 954114954 /nfs/dbraw/zinc/11/49/54/954114954.db2.gz OPLOVWLCCDBVNC-LSDHHAIUSA-N -1 0 330.428 3.506 20 0 EHADRM O=C([O-])C1(C(=O)N2CCc3ccc(Cl)cc3C2)CCCCCC1 ZINC001594850402 954179699 /nfs/dbraw/zinc/17/96/99/954179699.db2.gz OWNCYKJXNXNDDQ-UHFFFAOYSA-N -1 0 335.831 3.650 20 0 EHADRM O=C([O-])C1(C(=O)N[C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC=CC1 ZINC001594854834 954218358 /nfs/dbraw/zinc/21/83/58/954218358.db2.gz UTPZTRZUJPRGNT-UKRRQHHQSA-N -1 0 333.815 3.513 20 0 EHADRM CC(C)[C@H](CNC(=O)N(Cc1ccccc1)CC(C)(C)C)C(=O)[O-] ZINC001602978652 971997058 /nfs/dbraw/zinc/99/70/58/971997058.db2.gz KRACPNKAOIYCML-INIZCTEOSA-N -1 0 334.460 3.601 20 0 EHADRM C[C@H](NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)[C@@H](C)c1ccccc1 ZINC000655868743 954255868 /nfs/dbraw/zinc/25/58/68/954255868.db2.gz GRYHYSGRDBMFAG-UAHISNFZSA-N -1 0 346.471 3.613 20 0 EHADRM C[C@@H](NC(=O)N1CC[C@H](CC(C)(C)C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655899360 954279009 /nfs/dbraw/zinc/27/90/09/954279009.db2.gz FKPNDIJYBVSFQV-APIJFGDWSA-N -1 0 338.492 3.590 20 0 EHADRM C[C@H](NC(=O)N(C)[C@@H](C)c1cccs1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655905938 954289040 /nfs/dbraw/zinc/28/90/40/954289040.db2.gz GLBRKKHOAIFCHD-ZDEQEGDKSA-N -1 0 338.473 3.586 20 0 EHADRM CCN(Cc1ccccc1C)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655908317 954289954 /nfs/dbraw/zinc/28/99/54/954289954.db2.gz PKFWINBVJJVDPC-HYVNUMGLSA-N -1 0 346.471 3.662 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)C(C)C ZINC000659399090 954325936 /nfs/dbraw/zinc/32/59/36/954325936.db2.gz ZEEQYPXBYBVDDD-RDJZCZTQSA-N -1 0 349.475 3.523 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2cc(Cl)cc3cccnc32)CC=CCC1 ZINC001594869557 954338229 /nfs/dbraw/zinc/33/82/29/954338229.db2.gz ZFSABWWRHYPUGD-KRWDZBQOSA-N -1 0 330.771 3.638 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCC[C@H]1c1ccsc1)CC(=O)[O-] ZINC000659419104 954344899 /nfs/dbraw/zinc/34/48/99/954344899.db2.gz WUXNKVLCJPGBDG-ZFWWWQNUSA-N -1 0 338.473 3.732 20 0 EHADRM CCc1c(C(=O)N2CCC(CCC(=O)[O-])CC2)cnn1C(CC)CC ZINC000659774462 954370434 /nfs/dbraw/zinc/37/04/34/954370434.db2.gz KNZADHQRMLIDCE-UHFFFAOYSA-N -1 0 349.475 3.524 20 0 EHADRM O=C([O-])C1(C(=O)Oc2ccc(-c3cccnc3)cc2Cl)CCC1 ZINC001594878609 954397703 /nfs/dbraw/zinc/39/77/03/954397703.db2.gz LHCVVFKGQWPBHD-UHFFFAOYSA-N -1 0 331.755 3.562 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(-c3cnco3)cc2)CCCCCC1 ZINC000663066888 954439696 /nfs/dbraw/zinc/43/96/96/954439696.db2.gz KRBYQQNHONNBCH-UHFFFAOYSA-N -1 0 328.368 3.705 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)C2(C(=O)[O-])CC=CC2)c(F)c1 ZINC000663121868 954516228 /nfs/dbraw/zinc/51/62/28/954516228.db2.gz SRANPNDUQAUWAG-UHFFFAOYSA-N -1 0 335.375 3.610 20 0 EHADRM O=C([O-])C1CCC(NC(=O)/C=C\c2cc(Cl)cc(Cl)c2)CC1 ZINC000385929228 972022102 /nfs/dbraw/zinc/02/21/02/972022102.db2.gz BOVAVZYVQIOMKC-BHQIHCQQSA-N -1 0 342.222 3.766 20 0 EHADRM CC1(C)CCc2ccccc2[C@H](NC(=O)NCCCCC(=O)[O-])C1 ZINC000666544921 954555806 /nfs/dbraw/zinc/55/58/06/954555806.db2.gz BXTYZGYUROPPFG-MRXNPFEDSA-N -1 0 332.444 3.644 20 0 EHADRM C[C@@H]1CCC[C@@H]1CNC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666545106 954556142 /nfs/dbraw/zinc/55/61/42/954556142.db2.gz NLCWOAOBTLXINX-GDBMZVCRSA-N -1 0 344.455 3.710 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)Cc2ccc3c(c2)CCCC3)c2ccccc21 ZINC000669436389 954573744 /nfs/dbraw/zinc/57/37/44/954573744.db2.gz NPHFSUBQYBFUKQ-LJQANCHMSA-N -1 0 349.430 3.713 20 0 EHADRM O=C([O-])CCCCNC(=O)Nc1ncc(C2CCCCC2)s1 ZINC000669502783 954577345 /nfs/dbraw/zinc/57/73/45/954577345.db2.gz OPPLECUPALNULA-UHFFFAOYSA-N -1 0 325.434 3.567 20 0 EHADRM O=C([O-])CCCCC(=O)NCCc1cccc(-c2ccccc2)c1 ZINC000675000374 954579592 /nfs/dbraw/zinc/57/95/92/954579592.db2.gz CJXLXVNCHDAMBH-UHFFFAOYSA-N -1 0 325.408 3.657 20 0 EHADRM CC/C(=C\C(=O)N1CCC[C@@](CC)(C(=O)[O-])C1)c1ccc(OC)cc1 ZINC001589420019 954590134 /nfs/dbraw/zinc/59/01/34/954590134.db2.gz IYYHDKGTDIEUAV-UPTIQUDWSA-N -1 0 345.439 3.592 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000679397079 954593620 /nfs/dbraw/zinc/59/36/20/954593620.db2.gz QOLJQGWPPGILNB-RYUDHWBXSA-N -1 0 341.860 3.676 20 0 EHADRM O=C([O-])C1CCC(Nc2ccc3c(c2)CN(CC(F)(F)F)C3)CC1 ZINC001594910126 954707723 /nfs/dbraw/zinc/70/77/23/954707723.db2.gz KDSXUIOEYPCISN-UHFFFAOYSA-N -1 0 342.361 3.620 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)Cc2cc3ccccc3o2)c2ccccc21 ZINC001594920282 954801443 /nfs/dbraw/zinc/80/14/43/954801443.db2.gz WNCDRTUTBHQQIC-MRXNPFEDSA-N -1 0 335.359 3.580 20 0 EHADRM CCC(C)(C)c1ccccc1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001589452308 954812003 /nfs/dbraw/zinc/81/20/03/954812003.db2.gz SEFRPJCTWCIJDG-JKSUJKDBSA-N -1 0 329.440 3.557 20 0 EHADRM CCC(C)(C)c1ccc(CNC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1 ZINC001589452569 954812859 /nfs/dbraw/zinc/81/28/59/954812859.db2.gz XCEXYTGFSSSUBE-GDBMZVCRSA-N -1 0 346.471 3.626 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC001589463495 954873651 /nfs/dbraw/zinc/87/36/51/954873651.db2.gz DVQTWFMOAAJLAZ-RAUBDSNISA-N -1 0 347.455 3.740 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2Cc3ccccc3S2)ccc1Cl ZINC000386373990 972049530 /nfs/dbraw/zinc/04/95/30/972049530.db2.gz GPCFUGFLYFPFLO-CQSZACIVSA-N -1 0 333.796 3.694 20 0 EHADRM CC(C)[C@@H]1N(C(=O)c2ccc(OCC(=O)[O-])cc2)CC12CCCCC2 ZINC001603002829 972049891 /nfs/dbraw/zinc/04/98/91/972049891.db2.gz MZMSTHGHHNBYTQ-SFHVURJKSA-N -1 0 345.439 3.581 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])n1 ZINC001589464517 954891049 /nfs/dbraw/zinc/89/10/49/954891049.db2.gz RMQXYKSMHJPLFG-KBPBESRZSA-N -1 0 349.431 3.510 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)/C(F)=C/C2CCCCC2)Cc2ccccc21 ZINC001594941371 954897326 /nfs/dbraw/zinc/89/73/26/954897326.db2.gz IYLQYVBOOGVLJL-IUPCOXQMSA-N -1 0 331.387 3.631 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N[C@@H](CCc1ccccc1)C(F)(F)F ZINC001589474207 954946592 /nfs/dbraw/zinc/94/65/92/954946592.db2.gz RVEAANIOHCYDRC-ZDUSSCGKSA-N -1 0 345.361 3.557 20 0 EHADRM CCC(CC)(CNC(=O)Cc1ccccc1OC1CCCC1)C(=O)[O-] ZINC001589488811 954999903 /nfs/dbraw/zinc/99/99/03/954999903.db2.gz IYLHHFUBTSHPHS-UHFFFAOYSA-N -1 0 347.455 3.558 20 0 EHADRM CCC(CC)[C@H](NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001589510423 955046730 /nfs/dbraw/zinc/04/67/30/955046730.db2.gz PDFKGOOPIDWMBS-IKGGRYGDSA-N -1 0 332.444 3.716 20 0 EHADRM CC[C@@H](CNC(=O)c1ccc(Oc2ccc(F)cc2F)cc1)C(=O)[O-] ZINC001589546735 955203770 /nfs/dbraw/zinc/20/37/70/955203770.db2.gz RAQSHZNUWGXMNV-NSHDSACASA-N -1 0 349.333 3.598 20 0 EHADRM O=C([O-])CC1(NC(=O)/C=C\c2nc3ccccc3s2)CCCCC1 ZINC000767057565 955317334 /nfs/dbraw/zinc/31/73/34/955317334.db2.gz DJKKTRFFFUXZEZ-HJWRWDBZSA-N -1 0 344.436 3.603 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CC(C)(C)c2ccccc21)CC(=O)[O-] ZINC001603042338 972106166 /nfs/dbraw/zinc/10/61/66/972106166.db2.gz HRXFBBCAKSESAB-AWEZNQCLSA-N -1 0 332.444 3.631 20 0 EHADRM C[C@@H]1CN(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)CC[C@@H]1C(=O)[O-] ZINC000823340612 955527871 /nfs/dbraw/zinc/52/78/71/955527871.db2.gz JXCDJQXVKMXDCY-IYKWBQJMSA-N -1 0 329.440 3.567 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1cnc(CC(C)(C)C)s1)CC(=O)[O-] ZINC001603046712 972110802 /nfs/dbraw/zinc/11/08/02/972110802.db2.gz VMNUBINFLZOVPK-LBPRGKRZSA-N -1 0 340.489 3.599 20 0 EHADRM C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)CCCC(=O)[O-] ZINC000844243129 955654373 /nfs/dbraw/zinc/65/43/73/955654373.db2.gz CKLFSZHZYKOCBV-SECBINFHSA-N -1 0 330.211 3.694 20 0 EHADRM C[C@](CNC(=O)Nc1ccccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001589057000 955706238 /nfs/dbraw/zinc/70/62/38/955706238.db2.gz LMYLBGRTTNRBSX-QGZVFWFLSA-N -1 0 332.787 3.504 20 0 EHADRM CC(C)Cc1ccccc1COC(=O)C1(C(=O)[O-])CCSCC1 ZINC001603054385 972120228 /nfs/dbraw/zinc/12/02/28/972120228.db2.gz QLWMRXDSAXCMJR-UHFFFAOYSA-N -1 0 336.453 3.526 20 0 EHADRM CC(C)Cn1ccc2c1cccc2C(=O)NCCC(C)(C)C(=O)[O-] ZINC001603056423 972125253 /nfs/dbraw/zinc/12/52/53/972125253.db2.gz REFCEQOHHHULEU-UHFFFAOYSA-N -1 0 330.428 3.528 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(Cl)cc3ccccc32)CC[C@@H]1C(=O)[O-] ZINC000851606921 955788615 /nfs/dbraw/zinc/78/86/15/955788615.db2.gz ZEDNBRJONORFMW-FZMZJTMJSA-N -1 0 331.799 3.676 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)N(C)C(=O)C1(C(=O)[O-])CCCCCC1 ZINC001589080632 955848349 /nfs/dbraw/zinc/84/83/49/955848349.db2.gz JYPWVBKDWYZKFF-AWEZNQCLSA-N -1 0 335.419 3.640 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)[C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000852954412 955880145 /nfs/dbraw/zinc/88/01/45/955880145.db2.gz YJTDKCINWXAZDO-ROUUACIJSA-N -1 0 329.440 3.674 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC000864102437 955932443 /nfs/dbraw/zinc/93/24/43/955932443.db2.gz AUXGPMRFEQKRPS-HGPCXVNDSA-N -1 0 325.364 3.663 20 0 EHADRM O=C([O-])C1CCC(NC(=O)/C=C\c2ccsc2C(F)(F)F)CC1 ZINC000864120777 955948606 /nfs/dbraw/zinc/94/86/06/955948606.db2.gz NBRNVVJDHMUQSD-UTCJRWHESA-N -1 0 347.358 3.540 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000872718368 956061824 /nfs/dbraw/zinc/06/18/24/956061824.db2.gz PKVSZDZUDOOQNQ-FUHWJXTLSA-N -1 0 331.456 3.667 20 0 EHADRM C[C@H](NC(=O)Nc1cccc(C(=O)[O-])c1)c1ccc2c(c1)CCCO2 ZINC001589109438 956062295 /nfs/dbraw/zinc/06/22/95/956062295.db2.gz ZOXXMGPRZSKKDB-LBPRGKRZSA-N -1 0 340.379 3.593 20 0 EHADRM C[C@H](NC(=O)Nc1cscc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589113088 956066249 /nfs/dbraw/zinc/06/62/49/956066249.db2.gz HOHOXXUTGZBDQO-XHNCKOQMSA-N -1 0 330.837 3.658 20 0 EHADRM O=C([O-])CC1CCN(C(=O)/C=C/c2cc(Cl)cc(Cl)c2)CC1 ZINC000388161242 972157664 /nfs/dbraw/zinc/15/76/64/972157664.db2.gz KBGREBTZPLWVFA-OWOJBTEDSA-N -1 0 342.222 3.720 20 0 EHADRM C[C@@H](SCC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1)C(=O)[O-] ZINC001589169594 956461050 /nfs/dbraw/zinc/46/10/50/956461050.db2.gz JQROKRBGWFRPPZ-RISCZKNCSA-N -1 0 341.448 3.626 20 0 EHADRM C[C@@H](Sc1nnc(-c2ccccc2)cc1C(F)(F)F)C(=O)[O-] ZINC001589173206 956476044 /nfs/dbraw/zinc/47/60/44/956476044.db2.gz UUHIKGUBMDSMMQ-MRVPVSSYSA-N -1 0 328.315 3.728 20 0 EHADRM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001589174527 956481226 /nfs/dbraw/zinc/48/12/26/956481226.db2.gz LBKWRUAGRJUGLN-FXPVBKGRSA-N -1 0 345.226 3.559 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)/C=C/Sc2cc(F)ccc2F)c1 ZINC001594670744 956616216 /nfs/dbraw/zinc/61/62/16/956616216.db2.gz UDTIVWVLVAWBNL-VOTSOKGWSA-N -1 0 349.358 3.585 20 0 EHADRM O=C(/C=C\Sc1ccccc1)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001594670930 956616885 /nfs/dbraw/zinc/61/68/85/956616885.db2.gz VKXUJYWTFDKGFI-SCEITDHKSA-N -1 0 339.416 3.722 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)CCCCc2ccccc2)Cc2ccccc21 ZINC000902070469 956640436 /nfs/dbraw/zinc/64/04/36/956640436.db2.gz VVLFRUYXCZTXEH-LJQANCHMSA-N -1 0 337.419 3.610 20 0 EHADRM CC[C@@H](C)CC(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000389048884 972204699 /nfs/dbraw/zinc/20/46/99/972204699.db2.gz PGUXWSXZIPMMDN-MRVPVSSYSA-N -1 0 328.206 3.830 20 0 EHADRM CC1(C)[C@H](c2ccccc2)CCN1C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001589210025 956680700 /nfs/dbraw/zinc/68/07/00/956680700.db2.gz SMUABJQUFQMRRR-INIZCTEOSA-N -1 0 339.395 3.580 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC001589219334 956755543 /nfs/dbraw/zinc/75/55/43/956755543.db2.gz MLQHIWTVHXHADL-FQEVSTJZSA-N -1 0 349.390 3.669 20 0 EHADRM CC1(C)CCC[C@H](NC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)C1 ZINC001589223526 956779261 /nfs/dbraw/zinc/77/92/61/956779261.db2.gz AOLNCLVCNCPFCM-APHBMKBZSA-N -1 0 330.428 3.568 20 0 EHADRM CC1(C)CCc2c(sc(NC(=O)c3ccsn3)c2C(=O)[O-])C1 ZINC001589226584 956804799 /nfs/dbraw/zinc/80/47/99/956804799.db2.gz BTOXFGFXKGQWBG-UHFFFAOYSA-N -1 0 336.438 3.670 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CC(C)(C)[C@@H]1c1ccccc1 ZINC001589226695 956805258 /nfs/dbraw/zinc/80/52/58/956805258.db2.gz IJJFOYMDMRCUEJ-AWEZNQCLSA-N -1 0 329.440 3.733 20 0 EHADRM CC1(C)[C@H](c2ccc(Cl)cc2)CCN1C(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC000902839233 956823057 /nfs/dbraw/zinc/82/30/57/956823057.db2.gz PCLDRSHNMJOEGZ-KFWWJZLASA-N -1 0 335.831 3.545 20 0 EHADRM CC[C@H](CNC(=O)c1sc2cc(C)ccc2c1Cl)C(=O)[O-] ZINC000902849877 956827198 /nfs/dbraw/zinc/82/71/98/956827198.db2.gz AMHKAOHASAQIHU-SECBINFHSA-N -1 0 325.817 3.704 20 0 EHADRM CCNC(=O)Nc1ccc(C)c(NCc2ccc(C(=O)[O-])s2)c1 ZINC000903685688 956865761 /nfs/dbraw/zinc/86/57/61/956865761.db2.gz YBHNMHKIRAVRRL-UHFFFAOYSA-N -1 0 333.413 3.508 20 0 EHADRM O=C([O-])C1(NC(=O)Cn2ccc3ccc(Cl)cc32)CCCCCC1 ZINC001594714318 956907067 /nfs/dbraw/zinc/90/70/67/956907067.db2.gz SCWKQUUUXNFXSO-UHFFFAOYSA-N -1 0 348.830 3.589 20 0 EHADRM CCc1cccc(C)c1NC(=O)COc1ccc(C)cc1C(=O)[O-] ZINC000013085800 956937420 /nfs/dbraw/zinc/93/74/20/956937420.db2.gz QKVAPKXLRFQVFT-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)Cc1coc2cc3c(cc12)CCC3 ZINC000013165964 956947060 /nfs/dbraw/zinc/94/70/60/956947060.db2.gz ZCBAOBRWEBMEEW-UHFFFAOYSA-N -1 0 335.359 3.801 20 0 EHADRM Cc1cccc(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)c1[N+](=O)[O-] ZINC000013167843 956948460 /nfs/dbraw/zinc/94/84/60/956948460.db2.gz PLLYSNNMYGPHNW-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM CC[C@@H](CNC(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C)C(=O)[O-] ZINC000905053855 956959982 /nfs/dbraw/zinc/95/99/82/956959982.db2.gz IBTRGJAJZJFXMY-GJZGRUSLSA-N -1 0 347.459 3.606 20 0 EHADRM COc1cc([C@@H](C)NC(=O)CCCCC(=O)[O-])cc2ccccc21 ZINC000908221419 956984509 /nfs/dbraw/zinc/98/45/09/956984509.db2.gz RNJRWLXMMUGHNJ-CYBMUJFWSA-N -1 0 329.396 3.671 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CSc1ccc(F)c(F)c1 ZINC000013233282 956987471 /nfs/dbraw/zinc/98/74/71/956987471.db2.gz KCYKOFNYQFWSMB-UHFFFAOYSA-N -1 0 337.347 3.702 20 0 EHADRM Cc1ccc(NC(=O)COc2cc(C(=O)[O-])ccc2C)cc1Cl ZINC000013248426 956990764 /nfs/dbraw/zinc/99/07/64/956990764.db2.gz GMJPZGRRDWXYFB-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM Cc1nc(-c2ccccc2C)sc1C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000908660495 956993050 /nfs/dbraw/zinc/99/30/50/956993050.db2.gz LPNDKUNKTBPJAO-AWEZNQCLSA-N -1 0 344.436 3.506 20 0 EHADRM CC(C)C[C@@H](CNC(=O)C[C@H](C)c1c[nH]c2ccccc21)C(=O)[O-] ZINC000909291764 957010558 /nfs/dbraw/zinc/01/05/58/957010558.db2.gz LZKKQRDZRFHUGQ-KBPBESRZSA-N -1 0 330.428 3.525 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2ccc(C(F)F)cc2)c2ccccc21 ZINC001594727142 957016299 /nfs/dbraw/zinc/01/62/99/957016299.db2.gz QUDPGXDCCQDNQS-HUUCEWRRSA-N -1 0 331.318 3.667 20 0 EHADRM C[C@H](CCOCc1ccccc1)NC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001603142769 972236404 /nfs/dbraw/zinc/23/64/04/972236404.db2.gz KXEKKKUVYIXMBJ-MRXNPFEDSA-N -1 0 347.455 3.523 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)c1ccccc1C(F)(F)F ZINC000013390316 957044014 /nfs/dbraw/zinc/04/40/14/957044014.db2.gz DQDKXBWRCJNTNP-UHFFFAOYSA-N -1 0 349.308 3.997 20 0 EHADRM COc1ccc(Cl)cc1CC(=O)Nc1ccc(C(=O)[O-])cc1C ZINC000013391563 957047475 /nfs/dbraw/zinc/04/74/75/957047475.db2.gz LEAYSYSLDRDJCL-UHFFFAOYSA-N -1 0 333.771 3.536 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1COc2ccc(Cl)cc2C1 ZINC000013391567 957047791 /nfs/dbraw/zinc/04/77/91/957047791.db2.gz LNKKEKLZHOEEQT-CYBMUJFWSA-N -1 0 345.782 3.536 20 0 EHADRM COc1ccc(CNC(=O)c2ccc(C(C)(C)C)cc2)cc1C(=O)[O-] ZINC000013392801 957049091 /nfs/dbraw/zinc/04/90/91/957049091.db2.gz KEAXNUKYNLMPAD-UHFFFAOYSA-N -1 0 341.407 3.621 20 0 EHADRM Cc1ccccc1SCC(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000013428678 957068517 /nfs/dbraw/zinc/06/85/17/957068517.db2.gz DDPQRPCNFUGBCJ-UHFFFAOYSA-N -1 0 343.448 3.591 20 0 EHADRM CCCc1cc(C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)sc1C ZINC000013434097 957071580 /nfs/dbraw/zinc/07/15/80/957071580.db2.gz DFBHCHYFZGYNKG-OAHLLOKOSA-N -1 0 345.420 3.501 20 0 EHADRM COc1ccc(-c2ccc(C)c(NC(=O)CCCCC(=O)[O-])c2)cn1 ZINC000911548462 957078122 /nfs/dbraw/zinc/07/81/22/957078122.db2.gz JIOYDKCDPCJSMW-UHFFFAOYSA-N -1 0 342.395 3.649 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)Cc1cccc2ccccc21 ZINC000013448381 957086520 /nfs/dbraw/zinc/08/65/20/957086520.db2.gz HXVFFSYRHZMUBS-UHFFFAOYSA-N -1 0 331.371 3.670 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1ccsc1C(F)F ZINC000923061829 957098459 /nfs/dbraw/zinc/09/84/59/957098459.db2.gz YGVWWPRTDQFQPH-GFCCVEGCSA-N -1 0 337.347 3.510 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2ccnc3cc(Cl)ccc32)C1 ZINC000923068041 957099988 /nfs/dbraw/zinc/09/99/88/957099988.db2.gz CILYTISLKACMMD-GFCCVEGCSA-N -1 0 346.814 3.605 20 0 EHADRM Cc1ccc(NC(=O)CSCc2cccc(C(=O)[O-])c2)cc1C ZINC000019954748 957122995 /nfs/dbraw/zinc/12/29/95/957122995.db2.gz SCHHJMDVNFQJOK-UHFFFAOYSA-N -1 0 329.421 3.874 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2ccccc2OC(C)C)C1 ZINC000925945633 957134615 /nfs/dbraw/zinc/13/46/15/957134615.db2.gz YSFHKYQCNNKMQQ-GOSISDBHSA-N -1 0 334.416 3.583 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)C(F)(F)c2ccc(Cl)cc2)C1 ZINC001325118250 957309761 /nfs/dbraw/zinc/30/97/61/957309761.db2.gz UVIGDPZPMMCWTJ-LLVKDONJSA-N -1 0 345.773 3.535 20 0 EHADRM Cc1oc(CNC(=O)c2cccc(Cl)c2Cl)cc1C(=O)[O-] ZINC000038059666 957354089 /nfs/dbraw/zinc/35/40/89/957354089.db2.gz CUDDIBNILSBYFM-UHFFFAOYSA-N -1 0 328.151 3.523 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1cc(Br)ccc1Cl ZINC000061837626 957592766 /nfs/dbraw/zinc/59/27/66/957592766.db2.gz WASSYKXWTASKIG-ZETCQYMHSA-N -1 0 334.597 3.542 20 0 EHADRM Cc1cc(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)c(C)cc1Cl ZINC001594275886 957716550 /nfs/dbraw/zinc/71/65/50/957716550.db2.gz JUNJTMXKSXNDNO-GOSISDBHSA-N -1 0 331.799 3.687 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N(C)CCCOc2ccccc2C)c1 ZINC001594281545 957750113 /nfs/dbraw/zinc/75/01/13/957750113.db2.gz UMUMZDJPOIJNSJ-UHFFFAOYSA-N -1 0 341.407 3.543 20 0 EHADRM O=C([O-])c1ccc(CSc2ncccc2Br)c(F)c1 ZINC000079450798 957756071 /nfs/dbraw/zinc/75/60/71/957756071.db2.gz PEARFVUADMKNHO-UHFFFAOYSA-N -1 0 342.189 3.974 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NCc2ccccc2OCC(C)C)c1 ZINC001594284861 957767513 /nfs/dbraw/zinc/76/75/13/957767513.db2.gz BUFCNXBBVGXJPY-UHFFFAOYSA-N -1 0 341.407 3.658 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2c3ccccc3N(C)CC[C@@H]2C)c1 ZINC001594287429 957791699 /nfs/dbraw/zinc/79/16/99/957791699.db2.gz WDMORWYIMXDRKD-AWEZNQCLSA-N -1 0 338.407 3.568 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2nc3c(s2)CCC3(C)C)c1 ZINC001594288833 957803290 /nfs/dbraw/zinc/80/32/90/957803290.db2.gz KDXVRMZFQJNMLS-UHFFFAOYSA-N -1 0 330.409 3.626 20 0 EHADRM Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)C1(C(=O)[O-])CC=CC1 ZINC001594289923 957823522 /nfs/dbraw/zinc/82/35/22/957823522.db2.gz LFJXWIMNVCKFFE-UHFFFAOYSA-N -1 0 343.467 3.681 20 0 EHADRM O=C([O-])c1ccc(COC(=O)C2(Cc3ccc(F)cc3)CC2)cc1 ZINC001574802364 957840375 /nfs/dbraw/zinc/84/03/75/957840375.db2.gz GWGICZKWRGBZOA-UHFFFAOYSA-N -1 0 328.339 3.590 20 0 EHADRM Cc1cc([C@H](NC(=O)Nc2cccnc2C(=O)[O-])C2CC2)ccc1F ZINC001594293479 957841811 /nfs/dbraw/zinc/84/18/11/957841811.db2.gz ARUYXBLNQSVEJQ-OAHLLOKOSA-N -1 0 343.358 3.500 20 0 EHADRM CON(C(=O)c1cccc(Oc2ccc(Cl)cc2)c1)[C@H](C)C(=O)[O-] ZINC001594039213 957846115 /nfs/dbraw/zinc/84/61/15/957846115.db2.gz KUTNLOAMSZFRMT-LLVKDONJSA-N -1 0 349.770 3.609 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)C1(c2ccccc2F)CC1 ZINC001574804535 957850468 /nfs/dbraw/zinc/85/04/68/957850468.db2.gz IAFLGOSTWOPWNI-UHFFFAOYSA-N -1 0 339.366 3.535 20 0 EHADRM Cc1cc(C)cc(-c2cc(NC(=O)[C@@H](C(=O)[O-])C3CCCC3)n[nH]2)c1 ZINC001594294627 957865235 /nfs/dbraw/zinc/86/52/35/957865235.db2.gz YOYWFLBWQZKACW-KRWDZBQOSA-N -1 0 341.411 3.523 20 0 EHADRM Cc1cc(C)cc(C2CCN(C(=O)C3(CC(=O)[O-])CCC3)CC2)c1 ZINC001594295218 957872476 /nfs/dbraw/zinc/87/24/76/957872476.db2.gz WRCZIRTZOLPIAM-UHFFFAOYSA-N -1 0 329.440 3.654 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)[C@H]1CCC[C@H]1Cc1ccccc1 ZINC001574810491 957875332 /nfs/dbraw/zinc/87/53/32/957875332.db2.gz HLBITDXHYWJYMR-WMZOPIPTSA-N -1 0 337.419 3.660 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC000390750144 972302253 /nfs/dbraw/zinc/30/22/53/972302253.db2.gz YSGUCWIIMPXFIV-UHFFFAOYSA-N -1 0 330.727 3.740 20 0 EHADRM C[C@](Cc1ccccc1)(NC(=O)CCCC(=O)[O-])c1ccccc1 ZINC001603199820 972305127 /nfs/dbraw/zinc/30/51/27/972305127.db2.gz NJCIAFFVDUPEFB-HXUWFJFHSA-N -1 0 325.408 3.516 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(Cl)c3cccnc23)C1 ZINC001341240773 957952920 /nfs/dbraw/zinc/95/29/20/957952920.db2.gz WMTSKWYOYOAMTG-GOSISDBHSA-N -1 0 346.814 3.605 20 0 EHADRM COc1cc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)cc(Cl)c1OC ZINC001594065307 958126241 /nfs/dbraw/zinc/12/62/41/958126241.db2.gz AAYWLWIBSHPWQT-UHFFFAOYSA-N -1 0 349.770 3.616 20 0 EHADRM COc1cc(NCc2ccc(C(=O)[O-])s2)c2nccc(OC)c2c1 ZINC001594065563 958128828 /nfs/dbraw/zinc/12/88/28/958128828.db2.gz JRFUQOFDSWAYBT-UHFFFAOYSA-N -1 0 344.392 3.624 20 0 EHADRM Cc1cc(OCCCC(=O)Nc2cccnc2C(=O)[O-])ccc1Cl ZINC001594328247 958192390 /nfs/dbraw/zinc/19/23/90/958192390.db2.gz NGNQIXAFZWGPNN-UHFFFAOYSA-N -1 0 348.786 3.539 20 0 EHADRM Cc1cc(O[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)[O-])ccc1C(C)C ZINC001594328691 958198794 /nfs/dbraw/zinc/19/87/94/958198794.db2.gz XHRUMSPTRIIDFB-WMLDXEAASA-N -1 0 335.444 3.501 20 0 EHADRM CCc1cc2c(ncnc2N2CCC[C@H](C(C)(C)C(=O)[O-])C2)s1 ZINC000391366466 972331788 /nfs/dbraw/zinc/33/17/88/972331788.db2.gz OYLYWEWMNFYKKZ-NSHDSACASA-N -1 0 333.457 3.581 20 0 EHADRM Cc1cc2scc(CC(=O)N3CCC[C@@H](C)[C@@H]3C(=O)[O-])c2s1 ZINC001594333491 958247107 /nfs/dbraw/zinc/24/71/07/958247107.db2.gz WXBHLRUDQXIMMG-YMTOWFKASA-N -1 0 337.466 3.525 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)Nc3cc(C(=O)[O-])ccn3)s2)o1 ZINC001594333775 958248840 /nfs/dbraw/zinc/24/88/40/958248840.db2.gz ARRBQAPDDJFGNT-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM C[C@@H](NC(=O)C1(C(=O)[O-])CCCCC1)c1cccc(OC(F)F)c1 ZINC001603216994 972331350 /nfs/dbraw/zinc/33/13/50/972331350.db2.gz WZOXIZLAZKMUKL-LLVKDONJSA-N -1 0 341.354 3.500 20 0 EHADRM Cc1ccc(-c2nc(C)c(-c3nc(C4(C(=O)[O-])CCC4)no3)s2)o1 ZINC001594335226 958258991 /nfs/dbraw/zinc/25/89/91/958258991.db2.gz LRPCUSGNFHWOKV-UHFFFAOYSA-N -1 0 345.380 3.576 20 0 EHADRM Cc1ccc(Br)c(COC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c1 ZINC001594342142 958300875 /nfs/dbraw/zinc/30/08/75/958300875.db2.gz OGQRWFGMROORFV-GFCCVEGCSA-N -1 0 343.217 3.548 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1Br ZINC000109433822 958378595 /nfs/dbraw/zinc/37/85/95/958378595.db2.gz AIBKZNPQQDLBAN-NWDGAFQWSA-N -1 0 340.217 3.587 20 0 EHADRM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)NC[C@@H](C(=O)[O-])C(C)C)cc1 ZINC001594353802 958391260 /nfs/dbraw/zinc/39/12/60/958391260.db2.gz IXSRJEHAKSIOGZ-RCCFBDPRSA-N -1 0 346.471 3.629 20 0 EHADRM Cc1ccc(C[C@@]2(C)CCCN2C(=O)NCCC(C)(C)C(=O)[O-])cc1 ZINC001594355209 958409436 /nfs/dbraw/zinc/40/94/36/958409436.db2.gz PJGLOPKKJKNGKC-HXUWFJFHSA-N -1 0 346.471 3.603 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(-c2ccc(Br)cc2)n1 ZINC000123910669 958512460 /nfs/dbraw/zinc/51/24/60/958512460.db2.gz VZWQISRSGZGXJO-UHFFFAOYSA-N -1 0 326.215 3.935 20 0 EHADRM CC(C)(C)CCNC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000124232954 958522921 /nfs/dbraw/zinc/52/29/21/958522921.db2.gz PNEOGLHRYHLFHE-UHFFFAOYSA-N -1 0 343.221 3.705 20 0 EHADRM C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001573362357 958598309 /nfs/dbraw/zinc/59/83/09/958598309.db2.gz AESGBZVSTPSZSG-UHIISALHSA-N -1 0 343.345 3.663 20 0 EHADRM Cc1ccc(Oc2ccccc2CCNC(=O)CCCC(=O)[O-])cc1 ZINC001594377020 958599597 /nfs/dbraw/zinc/59/95/97/958599597.db2.gz UFOAISDXFJXTOJ-UHFFFAOYSA-N -1 0 341.407 3.701 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])c1 ZINC001594123403 958611275 /nfs/dbraw/zinc/61/12/75/958611275.db2.gz JUZCWTYFPQPQSE-CLCXKQKWSA-N -1 0 347.455 3.681 20 0 EHADRM C[C@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000391745054 972365205 /nfs/dbraw/zinc/36/52/05/972365205.db2.gz BTRWLKJBWFDPQP-JOYOIKCWSA-N -1 0 326.343 3.705 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCc2oc(-c3ccccc3)cc2C1 ZINC001573390154 958691048 /nfs/dbraw/zinc/69/10/48/958691048.db2.gz ITLAFCIJFNAAJN-KRWDZBQOSA-N -1 0 341.407 3.578 20 0 EHADRM Cc1cccc([C@H](NC(=O)[C@@H](C)c2cccc(Cl)c2)C(=O)[O-])c1 ZINC001594390201 958703783 /nfs/dbraw/zinc/70/37/83/958703783.db2.gz FVNVOVCZSZLAHU-LRDDRELGSA-N -1 0 331.799 3.694 20 0 EHADRM Cc1ccc2c(c1)CN(C(=O)c1coc(/C=C\C(=O)[O-])c1)C(C)(C)C2 ZINC001594390883 958717476 /nfs/dbraw/zinc/71/74/76/958717476.db2.gz YONMRKDJQDTFSW-SREVYHEPSA-N -1 0 339.391 3.663 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC001605734835 972371316 /nfs/dbraw/zinc/37/13/16/972371316.db2.gz DBJZJXJZCCALRT-RBZYPMLTSA-N -1 0 342.222 3.672 20 0 EHADRM COc1ccccc1[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccccn1 ZINC001594143653 958740314 /nfs/dbraw/zinc/74/03/14/958740314.db2.gz LEJNUPGAXXLPHN-HXUWFJFHSA-N -1 0 348.402 3.668 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2cc(C)cc3c(C)ccnc23)C(=O)[O-])c1 ZINC001594392185 958740858 /nfs/dbraw/zinc/74/08/58/958740858.db2.gz FIXVDHUGCDSAMQ-SFHVURJKSA-N -1 0 348.402 3.716 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001594145288 958754996 /nfs/dbraw/zinc/75/49/96/958754996.db2.gz LQNWFLIEKVSQAM-GDBMZVCRSA-N -1 0 349.471 3.660 20 0 EHADRM Cc1ccccc1CC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000132297570 958781882 /nfs/dbraw/zinc/78/18/82/958781882.db2.gz ABNIIWOMWZEFMP-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM CC(C)(C)c1csc(COc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)n1 ZINC000391832161 972380395 /nfs/dbraw/zinc/38/03/95/972380395.db2.gz PZDKEDBWAMXMTN-UHFFFAOYSA-N -1 0 336.369 3.626 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2ccn(C)c2-c2ccccc2)C(=O)[O-])c1 ZINC001594400177 958848739 /nfs/dbraw/zinc/84/87/39/958848739.db2.gz ZANQDUFCILMSIM-GOSISDBHSA-N -1 0 348.402 3.556 20 0 EHADRM Cc1cccc(C)c1NC(=S)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001594400857 958855213 /nfs/dbraw/zinc/85/52/13/958855213.db2.gz VCAYZRLPOIELMQ-HZSPNIEDSA-N -1 0 334.485 3.725 20 0 EHADRM Cc1cccc(C2(NC(=O)Nc3ccnc(C(=O)[O-])c3)CCCC2)c1 ZINC001594401467 958858436 /nfs/dbraw/zinc/85/84/36/958858436.db2.gz JVTWHSFJWVDTLJ-UHFFFAOYSA-N -1 0 339.395 3.679 20 0 EHADRM Cc1oc(COc2ccc(F)c(Br)c2)cc1C(=O)[O-] ZINC000137482483 958928862 /nfs/dbraw/zinc/92/88/62/958928862.db2.gz XRRYNLMIRAEJTL-UHFFFAOYSA-N -1 0 329.121 3.767 20 0 EHADRM Cc1ccccc1-c1cnc(NC(=O)N[C@H](CC(C)C)C(=O)[O-])s1 ZINC001594413977 958981552 /nfs/dbraw/zinc/98/15/52/958981552.db2.gz QAOSQEYJWYNISU-CYBMUJFWSA-N -1 0 347.440 3.739 20 0 EHADRM CC(C)OCc1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000391939377 972392841 /nfs/dbraw/zinc/39/28/41/972392841.db2.gz MVYXFQVILOUSJA-UHFFFAOYSA-N -1 0 331.343 3.701 20 0 EHADRM C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1cccc(Cl)c1 ZINC001588552018 959032890 /nfs/dbraw/zinc/03/28/90/959032890.db2.gz OYBMUCLCDGBFSC-MEBBXXQBSA-N -1 0 335.762 3.525 20 0 EHADRM O=C([O-])c1c(NC(=O)[C@@H]2CCCCS2)sc2c1CCCC2 ZINC000156224942 959046558 /nfs/dbraw/zinc/04/65/58/959046558.db2.gz KVAWGGRXHCVCIA-NSHDSACASA-N -1 0 325.455 3.549 20 0 EHADRM CC(C)[C@H]1C[C@H](CC(=O)N2CCCc3cc(C(=O)[O-])ccc32)CCO1 ZINC001573501149 959063182 /nfs/dbraw/zinc/06/31/82/959063182.db2.gz FRWXRPBKOARRFR-RDTXWAMCSA-N -1 0 345.439 3.505 20 0 EHADRM CC(C)C[C@H](CNC(=O)C1(c2ccccc2Cl)CCC1)C(=O)[O-] ZINC001573509335 959080768 /nfs/dbraw/zinc/08/07/68/959080768.db2.gz CUISTEYHKPEQJJ-CYBMUJFWSA-N -1 0 337.847 3.625 20 0 EHADRM C[C@H](C(=O)Nc1ncccc1C(=O)[O-])c1ccccc1C(F)(F)F ZINC001588562517 959106982 /nfs/dbraw/zinc/10/69/82/959106982.db2.gz KICWMRUBFFCHMI-VIFPVBQESA-N -1 0 338.285 3.541 20 0 EHADRM CC(C)CN(CCc1ccccc1)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001573518156 959117189 /nfs/dbraw/zinc/11/71/89/959117189.db2.gz OTULHNOFOMIIDV-PKNBQFBNSA-N -1 0 341.407 3.718 20 0 EHADRM CC(C)C[C@@H](NC(=O)CCc1ccc(F)c2ccccc12)C(=O)[O-] ZINC001573529310 959158436 /nfs/dbraw/zinc/15/84/36/959158436.db2.gz NDDTWVASPOLUDN-QGZVFWFLSA-N -1 0 331.387 3.527 20 0 EHADRM CSc1cc(C)ccc1CNC(=O)Nc1ccccc1C(=O)[O-] ZINC001594189827 959164135 /nfs/dbraw/zinc/16/41/35/959164135.db2.gz UUCSJOJMOFRWKW-UHFFFAOYSA-N -1 0 330.409 3.737 20 0 EHADRM CC(C)Cc1ccccc1CNC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C ZINC001573543419 959193063 /nfs/dbraw/zinc/19/30/63/959193063.db2.gz CNFNIHBNIDEYSE-UHFFFAOYSA-N -1 0 331.456 3.638 20 0 EHADRM CSCC[C@H](C)N(C)C(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000161816577 959196283 /nfs/dbraw/zinc/19/62/83/959196283.db2.gz GXCZIAZWXQXFBM-VIFPVBQESA-N -1 0 330.837 3.644 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1ccc(C(=O)[O-])cn1)CCC2 ZINC001573566660 959292832 /nfs/dbraw/zinc/29/28/32/959292832.db2.gz MDVFSMOXBDFECW-KRWDZBQOSA-N -1 0 338.407 3.711 20 0 EHADRM CC(C)c1ccc2c(c1)CCN(C(=O)/C=C\c1ccc(C(=O)[O-])o1)C2 ZINC001573567339 959294704 /nfs/dbraw/zinc/29/47/04/959294704.db2.gz UCPSCYUTGFSJLL-VURMDHGXSA-N -1 0 339.391 3.699 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)/C=C\c1ccsc1C(F)(F)F ZINC001594212236 959301085 /nfs/dbraw/zinc/30/10/85/959301085.db2.gz JFIRDCJULAEVJS-RDOIKZAQSA-N -1 0 347.358 3.634 20 0 EHADRM C[C@@H](CC(=O)N(CC(=O)[O-])CC(C)(C)C)c1c[nH]c2ccccc21 ZINC001573575006 959320740 /nfs/dbraw/zinc/32/07/40/959320740.db2.gz BOAGVHPTXFVKQG-ZDUSSCGKSA-N -1 0 330.428 3.621 20 0 EHADRM CC(C)c1ccc(CN(C(=O)c2cc(C(=O)[O-])co2)C2CC2)cc1 ZINC000183754507 959446945 /nfs/dbraw/zinc/44/69/45/959446945.db2.gz SMCJDYWFNCPMKI-UHFFFAOYSA-N -1 0 327.380 3.906 20 0 EHADRM C[C@H](NC(=O)C[C@@H]1C[C@H]1Cc1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001573616870 959496609 /nfs/dbraw/zinc/49/66/09/959496609.db2.gz OTGMNCWUUDUOPK-SRVCANOKSA-N -1 0 343.467 3.507 20 0 EHADRM Cc1ccccc1N(CCC(=O)[O-])C(=O)c1cccc2cccnc21 ZINC000392258714 972434403 /nfs/dbraw/zinc/43/44/03/972434403.db2.gz CTXHXCCVNWNVPZ-UHFFFAOYSA-N -1 0 334.375 3.665 20 0 EHADRM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCCCC(=O)[O-] ZINC000190878730 959525911 /nfs/dbraw/zinc/52/59/11/959525911.db2.gz JDLPSWAUNWUITL-MRXNPFEDSA-N -1 0 341.835 3.505 20 0 EHADRM Cc1cc(C)c(CC(=O)Nc2ccc(CCC(=O)[O-])cc2)c(C)c1 ZINC000191019331 959536014 /nfs/dbraw/zinc/53/60/14/959536014.db2.gz NCKKAUYAZTZCJN-UHFFFAOYSA-N -1 0 325.408 3.810 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccc3ccc(Cl)cc3n2)C1 ZINC000191204420 959546196 /nfs/dbraw/zinc/54/61/96/959546196.db2.gz VGCOCTHRAUDVKK-LBPRGKRZSA-N -1 0 346.814 3.605 20 0 EHADRM Cc1nc2cc(F)ccc2cc1C(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC000191314856 959553611 /nfs/dbraw/zinc/55/36/11/959553611.db2.gz FBJSVGISEVSMSR-UHFFFAOYSA-N -1 0 344.386 3.542 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)[C@H](C)Cc2cccc(F)c2)cc1)C(=O)[O-] ZINC000191396217 959559240 /nfs/dbraw/zinc/55/92/40/959559240.db2.gz DXPBVADSHIZHKL-ZIAGYGMSSA-N -1 0 343.398 3.906 20 0 EHADRM Cc1ccc2cc(C(=O)Nc3ccc(C[C@H](C)C(=O)[O-])cc3)[nH]c2c1 ZINC000191413490 959562338 /nfs/dbraw/zinc/56/23/38/959562338.db2.gz JBDDIRWLBOZLLZ-ZDUSSCGKSA-N -1 0 336.391 3.992 20 0 EHADRM COc1ccc(CNC(=O)c2ccc(C3CCC3)cc2)cc1C(=O)[O-] ZINC000192848296 959592110 /nfs/dbraw/zinc/59/21/10/959592110.db2.gz SDRDNAQXHJAIQP-UHFFFAOYSA-N -1 0 339.391 3.591 20 0 EHADRM CC[C@H](C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-])c1ccccc1 ZINC000192889026 959594635 /nfs/dbraw/zinc/59/46/35/959594635.db2.gz RAAUMIASGZUPIC-FHLIZLRMSA-N -1 0 325.408 3.758 20 0 EHADRM C[C@H](NC(=O)[C@H](C)SCCC(=O)[O-])c1ccc2ccccc2c1 ZINC001573639926 959604914 /nfs/dbraw/zinc/60/49/14/959604914.db2.gz CHLXLGJBRQHHFB-STQMWFEESA-N -1 0 331.437 3.613 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)CCc3ccccn3)ccc2s1 ZINC000194939394 959620356 /nfs/dbraw/zinc/62/03/56/959620356.db2.gz BFFIWPLKWIKALV-UHFFFAOYSA-N -1 0 326.377 3.566 20 0 EHADRM COc1ccc(/C=C\C(=O)Nc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000200788068 959636167 /nfs/dbraw/zinc/63/61/67/959636167.db2.gz XNTRBVAAKBDYPU-WTKPLQERSA-N -1 0 331.755 3.699 20 0 EHADRM O=C([O-])c1cnc(/C=C\c2ccc(F)c(Br)c2)s1 ZINC000206727611 959659938 /nfs/dbraw/zinc/65/99/38/959659938.db2.gz LGFJIOVSIIMGSE-RQOWECAXSA-N -1 0 328.162 3.913 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Oc1ccc(Sc2ccncc2)cc1 ZINC001573667597 959705017 /nfs/dbraw/zinc/70/50/17/959705017.db2.gz IXFULQSQGWESCS-GOSISDBHSA-N -1 0 343.404 3.639 20 0 EHADRM CC1(C)CCc2c(OC(=O)/C=C\c3ccc(C(=O)[O-])o3)cccc2O1 ZINC001573674821 959720100 /nfs/dbraw/zinc/72/01/00/959720100.db2.gz FNPKTNPEIFGJHM-CLFYSBASSA-N -1 0 342.347 3.700 20 0 EHADRM C[C@]1(CCNC(=O)Nc2cccc(CCC(=O)[O-])c2)C[C@@]1(F)Cl ZINC001573683125 959737974 /nfs/dbraw/zinc/73/79/74/959737974.db2.gz AZIHDRSMQZHDKC-HOTGVXAUSA-N -1 0 342.798 3.530 20 0 EHADRM Cc1c(NC(=O)Nc2ccccc2CC(=O)[O-])cnn1C1CCCC1 ZINC001594266227 959739727 /nfs/dbraw/zinc/73/97/27/959739727.db2.gz FZUZNAIDZCAARW-UHFFFAOYSA-N -1 0 342.399 3.578 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)[C@@H]1C[C@@]12CCCc1ccccc12)C(=O)[O-] ZINC001588646666 959741521 /nfs/dbraw/zinc/74/15/21/959741521.db2.gz YBAJLBIGDVAVNG-XGHQBKJUSA-N -1 0 343.467 3.676 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)[C@@H]1CSC[C@H]1c1ccccc1)C(=O)[O-] ZINC001588648358 959746911 /nfs/dbraw/zinc/74/69/11/959746911.db2.gz MBGZZTBOJKTONH-XHSDSOJGSA-N -1 0 349.496 3.529 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)CCSc1ccc(F)cc1)C(=O)[O-] ZINC001588650305 959759021 /nfs/dbraw/zinc/75/90/21/959759021.db2.gz GPZDGJHQGXONRR-AWEZNQCLSA-N -1 0 341.448 3.704 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)c2nc(Cl)ccc2Cl)c1 ZINC000218323989 959785664 /nfs/dbraw/zinc/78/56/64/959785664.db2.gz DIGKAFHLLPQZOY-UHFFFAOYSA-N -1 0 345.569 3.992 20 0 EHADRM Cc1cc(Br)c(F)cc1OC(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC001594269955 959791362 /nfs/dbraw/zinc/79/13/62/959791362.db2.gz FZHAEDISPDHLDJ-LLVKDONJSA-N -1 0 347.180 3.549 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC001573697919 959795634 /nfs/dbraw/zinc/79/56/34/959795634.db2.gz GYSCWZYDUNDCJF-VDHUWJSZSA-N -1 0 329.440 3.530 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2ccnc(C(=O)[O-])c2)C1 ZINC001573700981 959831363 /nfs/dbraw/zinc/83/13/63/959831363.db2.gz KBOIPFCIQRCBMC-ZBEGNZNMSA-N -1 0 343.358 3.534 20 0 EHADRM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001573701623 959836173 /nfs/dbraw/zinc/83/61/73/959836173.db2.gz QDIASJMPRFKYFT-IMSYWVGJSA-N -1 0 340.782 3.591 20 0 EHADRM CCC1CCC(NC(=O)c2scc(C)c2Cl)(C(=O)[O-])CC1 ZINC000232907678 960303547 /nfs/dbraw/zinc/30/35/47/960303547.db2.gz XTUYPPWZYHKRGH-UHFFFAOYSA-N -1 0 329.849 3.863 20 0 EHADRM COc1cccc(CN(CC(C)C)C(=O)[C@@H](C(=O)[O-])C2CCCC2)c1 ZINC001574231832 960410038 /nfs/dbraw/zinc/41/00/38/960410038.db2.gz GKOWWHWJBCLSDD-SFHVURJKSA-N -1 0 347.455 3.571 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000392608500 972501893 /nfs/dbraw/zinc/50/18/93/972501893.db2.gz KFCJQZQZLMTQOP-MSOLQXFVSA-N -1 0 336.391 3.633 20 0 EHADRM CC(C)(C)Cc1cc(NC(=O)CCCC(=O)[O-])n(-c2ccccc2)n1 ZINC001588657965 960419112 /nfs/dbraw/zinc/41/91/12/960419112.db2.gz FYVDDDQRUFEUFJ-UHFFFAOYSA-N -1 0 343.427 3.654 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)c1ccc(Cl)nc1Cl ZINC000235835060 960511078 /nfs/dbraw/zinc/51/10/78/960511078.db2.gz IEHWCJNXJFRQOC-UHFFFAOYSA-N -1 0 331.180 3.709 20 0 EHADRM CSc1cccc(Nc2ccc(NC(=O)CCCC(=O)[O-])nc2)c1 ZINC001574257466 960543412 /nfs/dbraw/zinc/54/34/12/960543412.db2.gz LFCLZTNYFOTBRQ-UHFFFAOYSA-N -1 0 345.424 3.741 20 0 EHADRM O=C([O-])c1ccc(F)c(CN2CCC(C(=O)c3ccccc3)CC2)c1 ZINC001231455677 960605698 /nfs/dbraw/zinc/60/56/98/960605698.db2.gz AJZFMPMORFJKOJ-UHFFFAOYSA-N -1 0 341.382 3.619 20 0 EHADRM COc1ccc2cc(C(=O)Nc3cc(C(=O)[O-])cs3)ccc2c1 ZINC001255839461 960656573 /nfs/dbraw/zinc/65/65/73/960656573.db2.gz LONQYNXRDILFJK-UHFFFAOYSA-N -1 0 327.361 3.860 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C\C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001573776803 960697015 /nfs/dbraw/zinc/69/70/15/960697015.db2.gz RKMLFRPSDGJMJI-LJTDUEICSA-N -1 0 340.379 3.609 20 0 EHADRM CC(C)(NC(=O)c1ccc(SCc2ccccc2)cc1)C(=O)[O-] ZINC000236685542 960731546 /nfs/dbraw/zinc/73/15/46/960731546.db2.gz QKKLQDVFOLGPSF-UHFFFAOYSA-N -1 0 329.421 3.572 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000236703509 960735642 /nfs/dbraw/zinc/73/56/42/960735642.db2.gz LYOJJLADXWKRDY-MSOLQXFVSA-N -1 0 331.456 3.605 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)c1ccc(-c2ccccc2F)o1 ZINC000236754708 960751801 /nfs/dbraw/zinc/75/18/01/960751801.db2.gz LCLFFIJJBJIAQO-UHFFFAOYSA-N -1 0 333.359 3.659 20 0 EHADRM Cc1cc(C(=O)N[C@H](C(=O)[O-])C(C)C)c(C)n1[C@H](C)c1ccccc1 ZINC000236767458 960754391 /nfs/dbraw/zinc/75/43/91/960754391.db2.gz ZJLVUGKIHCSEEO-KDOFPFPSSA-N -1 0 342.439 3.553 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cc(C)n(C2CCCCC2)c1C ZINC000236929131 960801932 /nfs/dbraw/zinc/80/19/32/960801932.db2.gz INNKNZFXTJOHRZ-ZDUSSCGKSA-N -1 0 334.460 3.935 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cc(C2CC2)nc2ccc(C)cc21 ZINC000236929721 960802119 /nfs/dbraw/zinc/80/21/19/960802119.db2.gz PHBQEPCULYKAGT-ZDUSSCGKSA-N -1 0 340.423 3.746 20 0 EHADRM CCC[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000236998065 960829824 /nfs/dbraw/zinc/82/98/24/960829824.db2.gz XUNZGBURRVXUOI-GWCFXTLKSA-N -1 0 342.233 3.517 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000237008171 960835184 /nfs/dbraw/zinc/83/51/84/960835184.db2.gz BFCMHEAROZXUTP-KUHUBIRLSA-N -1 0 325.408 3.512 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)c1occc1CSc1ccccc1 ZINC000237019787 960838280 /nfs/dbraw/zinc/83/82/80/960838280.db2.gz MCDXGXJSKXQEOA-UHFFFAOYSA-N -1 0 333.409 3.509 20 0 EHADRM Cc1cc(C)cc(C2=CCN(C(=O)[C@@]3(C(=O)[O-])CC=CCC3)CC2)c1 ZINC001574325529 960841636 /nfs/dbraw/zinc/84/16/36/960841636.db2.gz LOIOBTOPLWONFY-OAQYLSRUSA-N -1 0 339.435 3.730 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)CSc1ccc2ccccc2c1)C(=O)[O-] ZINC000237034293 960847275 /nfs/dbraw/zinc/84/72/75/960847275.db2.gz LGNUMQHWLBTRBT-SJKOYZFVSA-N -1 0 331.437 3.547 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)N1CCC[C@@](CC)(C(=O)[O-])C1 ZINC001573808346 960863583 /nfs/dbraw/zinc/86/35/83/960863583.db2.gz BUPYFCXLOPARPH-OXQOHEQNSA-N -1 0 331.456 3.667 20 0 EHADRM CCn1c(C(=O)Nc2ccc(CCC(=O)[O-])cc2)cc2ccccc21 ZINC000237200329 960886939 /nfs/dbraw/zinc/88/69/39/960886939.db2.gz LLVNFOADWZGWLP-UHFFFAOYSA-N -1 0 336.391 3.931 20 0 EHADRM C[C@@H](CN(C)C(=O)c1ccc(CSc2ccccc2)cc1)C(=O)[O-] ZINC000237412375 960929719 /nfs/dbraw/zinc/92/97/19/960929719.db2.gz MHFSSVNTWREZDE-AWEZNQCLSA-N -1 0 343.448 3.772 20 0 EHADRM Cc1cc(OC(C)C)ccc1NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001574343447 960952002 /nfs/dbraw/zinc/95/20/02/960952002.db2.gz WSJCEAJBDGWZBG-FNORWQNLSA-N -1 0 329.352 3.725 20 0 EHADRM C[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC000237541920 960958158 /nfs/dbraw/zinc/95/81/58/960958158.db2.gz OOVDXTJVEBPGIF-SNVBAGLBSA-N -1 0 332.425 3.630 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CCc2sccc2C1)C(=O)[O-] ZINC000237551926 960961085 /nfs/dbraw/zinc/96/10/85/960961085.db2.gz RHSNLYCKYQCVEB-NSHDSACASA-N -1 0 347.461 3.512 20 0 EHADRM Cc1c(F)cccc1NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000237564766 960962775 /nfs/dbraw/zinc/96/27/75/960962775.db2.gz RJHCWLXPQIGQQT-NSHDSACASA-N -1 0 333.384 3.952 20 0 EHADRM Cc1[nH]nc(NC(=O)c2ccc(C(=O)[O-])cc2)c1-c1ccc(C)cc1 ZINC001574348371 960976606 /nfs/dbraw/zinc/97/66/06/960976606.db2.gz WBDBASIEFAARJW-UHFFFAOYSA-N -1 0 335.363 3.644 20 0 EHADRM Cc1ccc2c(c1)S[C@@H](C(=O)Nc1cc(C(=O)[O-])ccc1C)C2 ZINC001320658387 960979848 /nfs/dbraw/zinc/97/98/48/960979848.db2.gz BEDHUYFHXNBATF-MRXNPFEDSA-N -1 0 327.405 3.657 20 0 EHADRM Cc1c(C(=O)NCc2ccc(C(=O)[O-])cc2)oc2c1c(C)ccc2C ZINC000237664213 960988155 /nfs/dbraw/zinc/98/81/55/960988155.db2.gz DDLBCYVQJIXZST-UHFFFAOYSA-N -1 0 337.375 3.986 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2cccc(C(=O)[O-])c2)cc1C ZINC000237713496 961005477 /nfs/dbraw/zinc/00/54/77/961005477.db2.gz DLLRQUWYFNJJGT-UHFFFAOYSA-N -1 0 327.380 3.799 20 0 EHADRM CC[C@@H]1CCc2nc(NC(=O)c3ccc(C(=O)[O-])cc3)sc2C1 ZINC001573829913 961007744 /nfs/dbraw/zinc/00/77/44/961007744.db2.gz KCCMAQWCWIORCE-SNVBAGLBSA-N -1 0 330.409 3.609 20 0 EHADRM CC[C@H]1CCc2nc(NC(=O)Cc3ccccc3C(=O)[O-])sc2C1 ZINC001573830261 961012300 /nfs/dbraw/zinc/01/23/00/961012300.db2.gz OKWHVMUCDJXXSF-NSHDSACASA-N -1 0 344.436 3.537 20 0 EHADRM Cc1ccc(SCCC(=O)NCCc2ccc(C(=O)[O-])cc2)cc1 ZINC000237768529 961020302 /nfs/dbraw/zinc/02/03/02/961020302.db2.gz RJHRZSJXDPXCCX-UHFFFAOYSA-N -1 0 343.448 3.534 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@]3(C(=O)[O-])CC=CCC3)C2)cc1 ZINC001574360582 961024537 /nfs/dbraw/zinc/02/45/37/961024537.db2.gz DSFQNGXLVWGZFX-MDYRTPRTSA-N -1 0 327.424 3.511 20 0 EHADRM CCC[C@H](NC(=O)Nc1cc(C(=O)[O-])ccn1)c1ccc(F)cc1F ZINC001573835645 961046255 /nfs/dbraw/zinc/04/62/55/961046255.db2.gz FDZFHWGZEUNPHB-AWEZNQCLSA-N -1 0 349.337 3.721 20 0 EHADRM Cc1ccc(CNC(=O)[C@@]2(C(=O)[O-])CC2(C)C)c(OCCC(C)C)c1 ZINC001574366949 961046386 /nfs/dbraw/zinc/04/63/86/961046386.db2.gz UQUILDVDQPUMFG-HXUWFJFHSA-N -1 0 347.455 3.537 20 0 EHADRM Cc1ccc(N(Cc2cccs2)C(=O)[C@H]2CC[C@H]2C(=O)[O-])cc1 ZINC001574368670 961058632 /nfs/dbraw/zinc/05/86/32/961058632.db2.gz APPXSXXTKJYONQ-JKSUJKDBSA-N -1 0 329.421 3.701 20 0 EHADRM O=C([O-])c1n[nH]c2ccc(NC(=O)c3csc4ccccc34)cc21 ZINC000237973564 961060521 /nfs/dbraw/zinc/06/05/21/961060521.db2.gz CFEWAWSAWNPIBA-UHFFFAOYSA-N -1 0 337.360 3.728 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2ccsc2)c2ccccc2)o1 ZINC000237975007 961062015 /nfs/dbraw/zinc/06/20/15/961062015.db2.gz AXOWROOHFQHXTM-UHFFFAOYSA-N -1 0 327.361 3.886 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1csc2ccccc12)c1ccc(F)cc1 ZINC000237993897 961068875 /nfs/dbraw/zinc/06/88/75/961068875.db2.gz UCBPBJZLOYALMR-HNNXBMFYSA-N -1 0 343.379 3.986 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cccs1 ZINC000238001493 961072069 /nfs/dbraw/zinc/07/20/69/961072069.db2.gz ZWGNDIYXRSDYCJ-LBPRGKRZSA-N -1 0 348.811 3.829 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)C1 ZINC000238005085 961074004 /nfs/dbraw/zinc/07/40/04/961074004.db2.gz FBOCJGRXRQSITB-SNVBAGLBSA-N -1 0 347.308 3.562 20 0 EHADRM Cc1ccc(NC(=O)C2(C(=O)[O-])CCCCC2)cc1Br ZINC001574374511 961082153 /nfs/dbraw/zinc/08/21/53/961082153.db2.gz XVVXKQVVBZFNOJ-UHFFFAOYSA-N -1 0 340.217 3.731 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)c1 ZINC000238032413 961082701 /nfs/dbraw/zinc/08/27/01/961082701.db2.gz XSSASCIBHWPKQE-HZPDHXFCSA-N -1 0 345.782 3.546 20 0 EHADRM CCCCCC[C@H](O)CCC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001573841590 961084620 /nfs/dbraw/zinc/08/46/20/961084620.db2.gz VZCVBTMUFLBRMB-BMGDILEWSA-N -1 0 347.455 3.527 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(C(=O)[O-])cn2)c(Cl)c1Cl ZINC001574374941 961086936 /nfs/dbraw/zinc/08/69/36/961086936.db2.gz FNYAWJRHBXAUIK-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000238088629 961095140 /nfs/dbraw/zinc/09/51/40/961095140.db2.gz OEULSJUXDYMIHT-DLBZAZTESA-N -1 0 343.810 3.501 20 0 EHADRM O=C([O-])[C@@H](c1ccccc1)N1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC001326503546 961102803 /nfs/dbraw/zinc/10/28/03/961102803.db2.gz VIEJFSBSBMQMOD-IUODEOHRSA-N -1 0 337.828 3.601 20 0 EHADRM CC(C)(C)c1ccc(CCCCC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cc1 ZINC001588739352 961149102 /nfs/dbraw/zinc/14/91/02/961149102.db2.gz BXQCKXKIMMZSBF-WOVMCDHWSA-N -1 0 331.456 3.676 20 0 EHADRM CCCN(Cc1ccc(F)cc1)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001573856880 961152020 /nfs/dbraw/zinc/15/20/20/961152020.db2.gz GOPSVLBOLZAJIQ-NTMALXAHSA-N -1 0 331.343 3.569 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)COC3CCCCC3)ccc2s1 ZINC000238207894 961158630 /nfs/dbraw/zinc/15/86/30/961158630.db2.gz AOIPQXQOFRYMAY-UHFFFAOYSA-N -1 0 333.409 3.887 20 0 EHADRM CC(C)(C)c1ccc(O)c(NC(=O)c2coc(/C=C\C(=O)[O-])c2)c1 ZINC001588741273 961169383 /nfs/dbraw/zinc/16/93/83/961169383.db2.gz YPFGIZJOVKCKOV-ALCCZGGFSA-N -1 0 329.352 3.633 20 0 EHADRM CCCc1ccc(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])s1 ZINC001573864283 961181438 /nfs/dbraw/zinc/18/14/38/961181438.db2.gz AVSZJIMSZZSBOX-INIZCTEOSA-N -1 0 329.421 3.525 20 0 EHADRM Cc1cccc([C@H](NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])C(C)C)c1 ZINC001574392179 961188201 /nfs/dbraw/zinc/18/82/01/961188201.db2.gz QKTPLXDKPISZKM-IAGOWNOFSA-N -1 0 334.460 3.738 20 0 EHADRM CCn1cc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c2ccccc21 ZINC000249814567 961204996 /nfs/dbraw/zinc/20/49/96/961204996.db2.gz APXWXTXSPQMWRE-OWQGQXMQSA-N -1 0 340.423 3.519 20 0 EHADRM Cc1cccc2cc(C(=O)N3CCC(C)(C(=O)[O-])CC3)c(Cl)nc12 ZINC001574402917 961245731 /nfs/dbraw/zinc/24/57/31/961245731.db2.gz OZGFKLBIZPOWOB-UHFFFAOYSA-N -1 0 346.814 3.524 20 0 EHADRM CC(C)(CNC(=O)C1(C(=O)[O-])CCC1)c1c(Cl)cccc1Cl ZINC001588780011 961306402 /nfs/dbraw/zinc/30/64/02/961306402.db2.gz RSAPCDMNCMUCRN-UHFFFAOYSA-N -1 0 344.238 3.642 20 0 EHADRM CC(C)(COCc1ccccc1)C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001588784260 961337641 /nfs/dbraw/zinc/33/76/41/961337641.db2.gz WEVBOTSYCLZNLX-UHFFFAOYSA-N -1 0 342.391 3.671 20 0 EHADRM Cc1nc(-c2ccc(C(=O)N3[C@H](C)CCC[C@@H]3C(=O)[O-])cc2)cs1 ZINC001574418880 961341962 /nfs/dbraw/zinc/34/19/62/961341962.db2.gz ZJGIJVXGKFCVJN-BDJLRTHQSA-N -1 0 344.436 3.586 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000261716875 961389192 /nfs/dbraw/zinc/38/91/92/961389192.db2.gz QHAFZUITJOCOLP-UHFFFAOYSA-N -1 0 343.810 3.772 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000261769535 961391845 /nfs/dbraw/zinc/39/18/45/961391845.db2.gz QPPRPDXKFQRQFO-KRWDZBQOSA-N -1 0 335.787 3.722 20 0 EHADRM COc1cc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)ccc1C(=O)[O-] ZINC000261788588 961392704 /nfs/dbraw/zinc/39/27/04/961392704.db2.gz YSAMNSPPBVWSBN-ZJUUUORDSA-N -1 0 345.317 3.701 20 0 EHADRM CC(C)=CCOc1cccc(Cc2nc(C3(C(=O)[O-])CCC3)no2)c1 ZINC001588799309 961415910 /nfs/dbraw/zinc/41/59/10/961415910.db2.gz UBGZMMBFBZLRBH-UHFFFAOYSA-N -1 0 342.395 3.512 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000262077548 961436219 /nfs/dbraw/zinc/43/62/19/961436219.db2.gz GUOZCDQGSRHILX-LLVKDONJSA-N -1 0 341.860 3.534 20 0 EHADRM CC(C)[C@H](C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000262084613 961443646 /nfs/dbraw/zinc/44/36/46/961443646.db2.gz BVIJHAZVORLACL-OALUTQOASA-N -1 0 337.419 3.637 20 0 EHADRM Cn1c2cccc(Cl)c2nc1NC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001574449989 961470176 /nfs/dbraw/zinc/47/01/76/961470176.db2.gz WJICJWVLRDXAKW-UHFFFAOYSA-N -1 0 349.818 3.590 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1CC(C)(C)Oc2ccccc21 ZINC001332164614 961497692 /nfs/dbraw/zinc/49/76/92/961497692.db2.gz MQXPXPDWYLEVPA-HNNXBMFYSA-N -1 0 339.391 3.977 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)CCc1ccccc1C(=O)[O-])C1CC1 ZINC000262150864 961502279 /nfs/dbraw/zinc/50/22/79/961502279.db2.gz JLKBMVICEQLJAD-HXUWFJFHSA-N -1 0 337.419 3.893 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 ZINC001588809160 961506474 /nfs/dbraw/zinc/50/64/74/961506474.db2.gz CRFDNGSVMJADIY-OAHLLOKOSA-N -1 0 332.400 3.712 20 0 EHADRM Cc1ccc(C)c([C@H]2CCCN2C(=O)Cc2ccccc2C(=O)[O-])c1 ZINC000262164551 961515788 /nfs/dbraw/zinc/51/57/88/961515788.db2.gz OJVDJZFWCZSMAA-LJQANCHMSA-N -1 0 337.419 3.908 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000262224133 961568966 /nfs/dbraw/zinc/56/89/66/961568966.db2.gz UVKILGRGFVPRKY-ZNMIVQPWSA-N -1 0 349.839 3.718 20 0 EHADRM CCC(CC)c1cc(CNC(=O)CCc2ccccc2C(=O)[O-])on1 ZINC000262226698 961570942 /nfs/dbraw/zinc/57/09/42/961570942.db2.gz RVDKYTYFSFTUAM-UHFFFAOYSA-N -1 0 344.411 3.525 20 0 EHADRM CCS[C@@H]1CC[C@@H](N(C)C(=O)C2(C(=O)[O-])CCCCCC2)C1 ZINC001573932009 961583644 /nfs/dbraw/zinc/58/36/44/961583644.db2.gz KZRIMQZKQSDBCO-ZIAGYGMSSA-N -1 0 327.490 3.544 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)NCCCc1ccc(Cl)cc1 ZINC000262243262 961587361 /nfs/dbraw/zinc/58/73/61/961587361.db2.gz YEDDWNIAEDVXPQ-UHFFFAOYSA-N -1 0 345.826 3.720 20 0 EHADRM Cc1c(NC(=O)Cc2cccc(C(=O)[O-])c2)sc2c1CCCC2 ZINC000262253913 961594539 /nfs/dbraw/zinc/59/45/39/961594539.db2.gz VVDNNSBMOBXOLN-UHFFFAOYSA-N -1 0 329.421 3.815 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC000262253949 961595082 /nfs/dbraw/zinc/59/50/82/961595082.db2.gz VWKKUQVPNNKXIN-ZDUSSCGKSA-N -1 0 343.448 3.917 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)[C@@H]1OCCc2sccc21 ZINC001332613385 961601952 /nfs/dbraw/zinc/60/19/52/961601952.db2.gz HGKBHXMJOFHBAB-BZNIZROVSA-N -1 0 345.420 3.643 20 0 EHADRM CC(C)[C@@H](CNC(=O)N1CCC[C@H]1CCCc1ccccc1)C(=O)[O-] ZINC001588822230 961635110 /nfs/dbraw/zinc/63/51/10/961635110.db2.gz GFNWVDGIVDSWEG-QZTJIDSGSA-N -1 0 346.471 3.540 20 0 EHADRM CCc1ccc(C2CCN(C(=O)[C@H](C(=O)[O-])C(C)(C)C)CC2)cc1 ZINC001573954152 961662414 /nfs/dbraw/zinc/66/24/14/961662414.db2.gz JSRXQADHKMTSQD-QGZVFWFLSA-N -1 0 331.456 3.702 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H](c3ccccc3)CC2)c(F)c1 ZINC000262352172 961664459 /nfs/dbraw/zinc/66/44/59/961664459.db2.gz HKUTVWPKEUCGCA-HNNXBMFYSA-N -1 0 341.382 3.934 20 0 EHADRM CCCCOc1ccc(NC(=O)c2cccc(C(=O)[O-])n2)c(C)c1 ZINC000262393090 961692855 /nfs/dbraw/zinc/69/28/55/961692855.db2.gz AQROVNTZPPMUGX-UHFFFAOYSA-N -1 0 328.368 3.519 20 0 EHADRM C/C(=C/C(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1)c1cccc(F)c1 ZINC001333521626 961711669 /nfs/dbraw/zinc/71/16/69/961711669.db2.gz LFYLDWNSXUINKL-RXEWJAMOSA-N -1 0 341.382 3.870 20 0 EHADRM CC(C)[C@@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccc(F)cc1 ZINC001588833918 961742181 /nfs/dbraw/zinc/74/21/81/961742181.db2.gz SPRUOCKOTUHUIW-SECOEOQKSA-N -1 0 331.343 3.644 20 0 EHADRM CCO[C@@H](C)c1ncc(C(=O)Nc2cccc(CCC(=O)[O-])c2)s1 ZINC000262511466 961756696 /nfs/dbraw/zinc/75/66/96/961756696.db2.gz MFGMWSGWOCWXMO-NSHDSACASA-N -1 0 348.424 3.510 20 0 EHADRM O=C([O-])[C@H](CNC(=O)CCCCCc1cccs1)c1ccccc1 ZINC000262529797 961761205 /nfs/dbraw/zinc/76/12/05/961761205.db2.gz SHFCCZGOLROMSB-QGZVFWFLSA-N -1 0 345.464 3.836 20 0 EHADRM Cc1cccc(O[C@H](C)C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000262553866 961769638 /nfs/dbraw/zinc/76/96/38/961769638.db2.gz UJIOLBKMBTVOOV-CQSZACIVSA-N -1 0 327.380 3.716 20 0 EHADRM Cc1c(C(=O)Nc2ccc(C(=O)[O-])cc2C)cnn1-c1cccc(C)c1 ZINC001334359138 961802292 /nfs/dbraw/zinc/80/22/92/961802292.db2.gz OUUHAJKBWTXKQT-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1 ZINC001588841598 961807281 /nfs/dbraw/zinc/80/72/81/961807281.db2.gz MNGOZDPOSKDXFI-XFIYOXNOSA-N -1 0 338.492 3.636 20 0 EHADRM Cc1csc(-c2ccc(NC(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)cc2)n1 ZINC000262704679 961814715 /nfs/dbraw/zinc/81/47/15/961814715.db2.gz JDBNBHKABKMTDF-MQMHXKEQSA-N -1 0 344.436 3.948 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262706159 961817300 /nfs/dbraw/zinc/81/73/00/961817300.db2.gz JQDUOSHKQTXRHB-UMVBOHGHSA-N -1 0 333.428 3.609 20 0 EHADRM C[C@H]1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)[C@H]1c1cccc(F)c1 ZINC000262716722 961823357 /nfs/dbraw/zinc/82/33/57/961823357.db2.gz NWGCAJMWRFDIKV-AYMQEEERSA-N -1 0 333.403 3.626 20 0 EHADRM O=C([O-])[C@H](NC(=O)CC1CC(c2ccccc2)C1)c1ccc(F)cc1 ZINC001574517167 961852861 /nfs/dbraw/zinc/85/28/61/961852861.db2.gz ZNBMEZRFCKZLEL-NSRCDFIJSA-N -1 0 341.382 3.652 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)CCCc1csc2ccccc12 ZINC000262786296 961864960 /nfs/dbraw/zinc/86/49/60/961864960.db2.gz BMQVMGFTNYRVAZ-CABCVRRESA-N -1 0 331.437 3.594 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])c1 ZINC000262828420 961894048 /nfs/dbraw/zinc/89/40/48/961894048.db2.gz QPRGHMZIDNHEDS-BLLLJJGKSA-N -1 0 341.860 3.825 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@H](c1ccncc1)C1CCCCC1)C(=O)[O-] ZINC001588847425 961901479 /nfs/dbraw/zinc/90/14/79/961901479.db2.gz RKFAQXKBKNDIEG-MSOLQXFVSA-N -1 0 346.471 3.609 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCC[C@]1(C)Cc1ccccc1)C(=O)[O-] ZINC001588850681 961925788 /nfs/dbraw/zinc/92/57/88/961925788.db2.gz YXWOJAGDODQKSQ-YLJYHZDGSA-N -1 0 346.471 3.540 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000262886829 961961991 /nfs/dbraw/zinc/96/19/91/961961991.db2.gz GIZIYSMIVRFOPI-DZKIICNBSA-N -1 0 335.831 3.895 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1cc(-n2cccc2)ccc1Cl)C(=O)[O-] ZINC001588855098 961967875 /nfs/dbraw/zinc/96/78/75/961967875.db2.gz XENZBJWKSDXKTE-CYBMUJFWSA-N -1 0 348.830 3.607 20 0 EHADRM C[C@H](NC(=O)C[C@@H]1CCC[C@@H](C)C1)c1ccc(OCC(=O)[O-])cc1 ZINC000262900217 961978109 /nfs/dbraw/zinc/97/81/09/961978109.db2.gz CXIYZXIDZKGLPK-QLFBSQMISA-N -1 0 333.428 3.544 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)c2cc(Cl)ccc2F)c2ccccc21 ZINC001574557392 961997831 /nfs/dbraw/zinc/99/78/31/961997831.db2.gz KABNDMSFDVRXOL-WFASDCNBSA-N -1 0 333.746 3.522 20 0 EHADRM CC(C)(CCNC(=O)CCCCc1nc2ccccc2s1)C(=O)[O-] ZINC000262934166 962018392 /nfs/dbraw/zinc/01/83/92/962018392.db2.gz HFMCIWPOQJSWKS-UHFFFAOYSA-N -1 0 348.468 3.626 20 0 EHADRM O=C([O-])CCCC(=O)N[C@H](c1nc2ccccc2[nH]1)C1CCCCC1 ZINC001339183131 962020371 /nfs/dbraw/zinc/02/03/71/962020371.db2.gz NIVIIJXNBUUXLU-SFHVURJKSA-N -1 0 343.427 3.555 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1C[C@H](C)C[C@H]1c1ccccc1F ZINC000262996087 962087597 /nfs/dbraw/zinc/08/75/97/962087597.db2.gz QTZNTKMBWSTQQP-ABAIWWIYSA-N -1 0 345.370 3.578 20 0 EHADRM CC(C)C[C@H](C)n1nccc1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263012081 962111454 /nfs/dbraw/zinc/11/14/54/962111454.db2.gz HTZFPIUCFTWVGH-ZDUSSCGKSA-N -1 0 344.415 3.510 20 0 EHADRM CC(C)C[C@@H](NC(=O)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F)C(=O)[O-] ZINC001588881371 962153408 /nfs/dbraw/zinc/15/34/08/962153408.db2.gz KXEWNBAOUAAXDZ-NJZAAPMLSA-N -1 0 341.810 3.588 20 0 EHADRM C[C@H](NC(=O)CCC1CCCCC1)c1ccc(OCC(=O)[O-])cc1 ZINC000263046141 962175576 /nfs/dbraw/zinc/17/55/76/962175576.db2.gz NPPHEJDKTONGRA-AWEZNQCLSA-N -1 0 333.428 3.688 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)c1ccc(C2SCCS2)cc1 ZINC001574607879 962179898 /nfs/dbraw/zinc/17/98/98/962179898.db2.gz UQGAOSAQJPPAMJ-UHFFFAOYSA-N -1 0 346.433 3.511 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@@H](C)c1cn(C)c2ccccc12)CC(=O)[O-] ZINC001588887503 962185558 /nfs/dbraw/zinc/18/55/58/962185558.db2.gz KQNQBLSCHVYHOK-GJZGRUSLSA-N -1 0 344.455 3.535 20 0 EHADRM CC[C@](CNC(=O)c1occc1C(C)C)(C(=O)[O-])c1ccccc1 ZINC000263054979 962188448 /nfs/dbraw/zinc/18/84/48/962188448.db2.gz RMFSDMCCNAEFOT-LJQANCHMSA-N -1 0 329.396 3.565 20 0 EHADRM CC[C@@H](C(=O)NC[C@](CC)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000263060871 962200377 /nfs/dbraw/zinc/20/03/77/962200377.db2.gz RZRMZOFXCFFPFK-NQIIRXRSSA-N -1 0 339.435 3.729 20 0 EHADRM CCC[C@H](C(=O)N1CCCC[C@@H]1c1ccc(C(=O)[O-])n1C)C(C)C ZINC001344591534 962213622 /nfs/dbraw/zinc/21/36/22/962213622.db2.gz DYTBCSJOJJLWGA-GOEBONIOSA-N -1 0 334.460 3.849 20 0 EHADRM O=C([O-])C1CCC(NC(=O)Nc2cccnc2-c2ccccc2)CC1 ZINC000263075181 962217873 /nfs/dbraw/zinc/21/78/73/962217873.db2.gz QKHBRDNINFPZHG-UHFFFAOYSA-N -1 0 339.395 3.514 20 0 EHADRM O=C([O-])[C@@H](C(=O)N(Cc1ccccc1)CC1CCC1)C1CCCC1 ZINC001574616046 962218630 /nfs/dbraw/zinc/21/86/30/962218630.db2.gz LMMFSZJPQDTQFV-GOSISDBHSA-N -1 0 329.440 3.706 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(C(=O)C[C@H]2C=CCC2)CC1 ZINC000263083762 962231218 /nfs/dbraw/zinc/23/12/18/962231218.db2.gz SFKGNAYWLDXZLP-HNNXBMFYSA-N -1 0 327.424 3.522 20 0 EHADRM CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(C)CCCC(=O)[O-] ZINC000263088127 962237163 /nfs/dbraw/zinc/23/71/63/962237163.db2.gz HPBMCHFBQSJCBX-ZDUSSCGKSA-N -1 0 345.361 3.597 20 0 EHADRM Cc1oc(-c2ccccc2)c(C(=O)NCCC(C)(C)C(=O)[O-])c1C ZINC000263090021 962238945 /nfs/dbraw/zinc/23/89/45/962238945.db2.gz SQCGPTOFCIAWTB-UHFFFAOYSA-N -1 0 329.396 3.794 20 0 EHADRM CC[C@](CNC(=O)c1cccc(C)c1Cl)(C(=O)[O-])c1ccccc1 ZINC000263093167 962242356 /nfs/dbraw/zinc/24/23/56/962242356.db2.gz VSDWQPACYPWOBO-LJQANCHMSA-N -1 0 345.826 3.811 20 0 EHADRM CCC[C@@H](C)CC(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC000263093585 962242732 /nfs/dbraw/zinc/24/27/32/962242732.db2.gz SVKQMYWIVLJMOV-OAHLLOKOSA-N -1 0 331.456 3.992 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F)C(=O)[O-] ZINC001588899319 962245429 /nfs/dbraw/zinc/24/54/29/962245429.db2.gz KXEWNBAOUAAXDZ-LNSITVRQSA-N -1 0 341.810 3.588 20 0 EHADRM C[C@H](CCC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000263099542 962249884 /nfs/dbraw/zinc/24/98/84/962249884.db2.gz ISGZQYHDILEWFX-UBDQQSCGSA-N -1 0 329.440 3.815 20 0 EHADRM O=C([O-])[C@@H](C(=O)Oc1ccc(Oc2nccs2)cc1)C1CCCC1 ZINC001574622377 962260468 /nfs/dbraw/zinc/26/04/68/962260468.db2.gz ZIGRRXOQHDUZFE-AWEZNQCLSA-N -1 0 347.392 3.732 20 0 EHADRM Cc1ccsc1C(=O)N[C@@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC000263114025 962265428 /nfs/dbraw/zinc/26/54/28/962265428.db2.gz RWBBJFAWKYHSGX-HOCLYGCPSA-N -1 0 343.448 3.750 20 0 EHADRM CC1=C(C(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)CCC1 ZINC000263120062 962273439 /nfs/dbraw/zinc/27/34/39/962273439.db2.gz VFBIYQOZBFPTLU-UHFFFAOYSA-N -1 0 327.424 3.666 20 0 EHADRM CC(C)Cc1ccc(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC001588906199 962276776 /nfs/dbraw/zinc/27/67/76/962276776.db2.gz PJRDYHPQIUMYGK-FQEVSTJZSA-N -1 0 325.408 3.615 20 0 EHADRM CC(C)Cc1ccc([C@H](NC(=O)N2CC[C@@H](C(=O)[O-])C2)C(C)C)cc1 ZINC001588906331 962281091 /nfs/dbraw/zinc/28/10/91/962281091.db2.gz ZFZYFWRVDPIBJO-QZTJIDSGSA-N -1 0 346.471 3.698 20 0 EHADRM O=C([O-])C1(C(=O)N2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)CCCCCC1 ZINC001574626935 962289793 /nfs/dbraw/zinc/28/97/93/962289793.db2.gz ZGHCDPJTFPQZLI-LRDDRELGSA-N -1 0 347.377 3.603 20 0 EHADRM Cc1cc(C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)c(C)n1C1CCCCC1 ZINC000263156741 962307912 /nfs/dbraw/zinc/30/79/12/962307912.db2.gz VEQKWSLKJOELOC-CZUORRHYSA-N -1 0 332.444 3.545 20 0 EHADRM O=C([O-])C1(C(=O)NCc2ccc(-c3ccco3)cc2F)CCCCC1 ZINC001574633640 962316694 /nfs/dbraw/zinc/31/66/94/962316694.db2.gz SAWPCHFHPYARFM-UHFFFAOYSA-N -1 0 345.370 3.737 20 0 EHADRM O=C([O-])[C@]1(C(=O)Oc2ccc(Oc3ccccn3)cc2)CC=CCC1 ZINC001574637982 962320483 /nfs/dbraw/zinc/32/04/83/962320483.db2.gz AXIXTUHQSGEXBH-IBGZPJMESA-N -1 0 339.347 3.590 20 0 EHADRM C[C@H](CC(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C)c1ccccc1C(F)(F)F ZINC000263186433 962341503 /nfs/dbraw/zinc/34/15/03/962341503.db2.gz MCXSWYRZEFWUFI-NTZNESFSSA-N -1 0 343.345 3.521 20 0 EHADRM O=C([O-])C1(C(=O)Nc2nc(Cc3ccccc3)cs2)CCCCC1 ZINC001574640440 962344338 /nfs/dbraw/zinc/34/43/38/962344338.db2.gz CBTDMGYFZMZIQP-UHFFFAOYSA-N -1 0 344.436 3.708 20 0 EHADRM O=C([O-])C1(C(=O)Nc2nccc(-c3ccccc3)n2)CCCCCC1 ZINC001574640750 962349841 /nfs/dbraw/zinc/34/98/41/962349841.db2.gz HYNZYSARLMZYKB-UHFFFAOYSA-N -1 0 339.395 3.507 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)C2(c3cccs3)CCCCC2)C1 ZINC000263205421 962360977 /nfs/dbraw/zinc/36/09/77/962360977.db2.gz KRFLLUUUVQTQAR-KRWDZBQOSA-N -1 0 335.469 3.663 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCC2(c3ccc(Cl)cc3)CCCC2)C1 ZINC000263206296 962362949 /nfs/dbraw/zinc/36/29/49/962362949.db2.gz KSBGMJSWIYHHIT-UONOGXRCSA-N -1 0 349.858 3.769 20 0 EHADRM Cc1ccc(OCC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c(C)c1 ZINC000263210762 962366451 /nfs/dbraw/zinc/36/64/51/962366451.db2.gz LKXWKMRXPZMNAX-AWEZNQCLSA-N -1 0 327.380 3.509 20 0 EHADRM C[C@H](NC(=O)c1ccc(/C=C/C(=O)[O-])o1)c1nc(C(C)(C)C)cs1 ZINC001347048171 962377627 /nfs/dbraw/zinc/37/76/27/962377627.db2.gz CFCLOUISVOEUKL-PCGIRMHASA-N -1 0 348.424 3.622 20 0 EHADRM CCCC[C@@H](CC)C(=O)N[C@](C)(CC(=O)[O-])c1cccc(OC)c1 ZINC000263274639 962412988 /nfs/dbraw/zinc/41/29/88/962412988.db2.gz XWOXNKFNSUWFCP-AUUYWEPGSA-N -1 0 335.444 3.718 20 0 EHADRM Cn1c(C(=O)[O-])ccc1[C@H]1CCCCN1C(=O)/C=C/c1cccs1 ZINC001347623890 962422543 /nfs/dbraw/zinc/42/25/43/962422543.db2.gz IEKIRGGVORPEKM-JOZWUWCOSA-N -1 0 344.436 3.552 20 0 EHADRM COc1c(C)cc(C(=O)Nc2cccc(CCC(=O)[O-])c2)cc1C ZINC000263292136 962431697 /nfs/dbraw/zinc/43/16/97/962431697.db2.gz RFRACYNTGKNYJU-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM Cc1ccc2c(c1)S[C@H](C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1)C2 ZINC001348492438 962448849 /nfs/dbraw/zinc/44/88/49/962448849.db2.gz KRDFSQOCGROZMW-PXAZEXFGSA-N -1 0 341.432 3.839 20 0 EHADRM O=C([O-])[C@H]1CCN(Cc2nc(-c3ccccc3)c[nH]2)c2ccccc21 ZINC001574655918 962458226 /nfs/dbraw/zinc/45/82/26/962458226.db2.gz JWMCKUYQQUBWSA-INIZCTEOSA-N -1 0 333.391 3.655 20 0 EHADRM O=C([O-])[C@@H]1CCN(C[C@H]2CCCC23CCOCC3)c2ccccc21 ZINC001574656523 962466431 /nfs/dbraw/zinc/46/64/31/962466431.db2.gz YOWRLCOJMYWGOB-NVXWUHKLSA-N -1 0 329.440 3.662 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000263324378 962467229 /nfs/dbraw/zinc/46/72/29/962467229.db2.gz OGSBZWFSRDQBKP-STQMWFEESA-N -1 0 329.371 3.831 20 0 EHADRM CC(C)OCCCCNC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001588931745 962474262 /nfs/dbraw/zinc/47/42/62/962474262.db2.gz YBAJKLZQCNXEBP-UHFFFAOYSA-N -1 0 346.786 3.504 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N(Cc2ccccc2)CC2CCC2)cc1 ZINC000263331645 962479466 /nfs/dbraw/zinc/47/94/66/962479466.db2.gz MDXOZPGJVPFUAM-UHFFFAOYSA-N -1 0 337.419 3.756 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000263337322 962485937 /nfs/dbraw/zinc/48/59/37/962485937.db2.gz RBNDQWIFPQWGQX-KBPBESRZSA-N -1 0 333.428 3.941 20 0 EHADRM CC(C)Oc1c(F)cc(NC(=O)Cc2ccccc2C(=O)[O-])cc1F ZINC001588935092 962486188 /nfs/dbraw/zinc/48/61/88/962486188.db2.gz HEVACSHTXUQZDM-UHFFFAOYSA-N -1 0 349.333 3.631 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)N(CC2CC2)c2cccc(F)c2)co1 ZINC001574665772 962506935 /nfs/dbraw/zinc/50/69/35/962506935.db2.gz MKYLXGDEIHFXAT-VOTSOKGWSA-N -1 0 329.327 3.573 20 0 EHADRM CC(C)Oc1ccc(F)cc1NC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC001588938020 962512483 /nfs/dbraw/zinc/51/24/83/962512483.db2.gz FJQZATNJRLXDKT-INIZCTEOSA-N -1 0 346.358 3.560 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)Nc2ccc(F)cc2-n2cccc2)co1 ZINC001574667153 962521247 /nfs/dbraw/zinc/52/12/47/962521247.db2.gz KFFZTDHJHKTNBR-GQCTYLIASA-N -1 0 340.310 3.560 20 0 EHADRM COc1cc(NC2CC(CC(=O)[O-])C2)c(Cl)cc1Br ZINC001350623058 962559633 /nfs/dbraw/zinc/55/96/33/962559633.db2.gz XNQURERNVZJWHC-UHFFFAOYSA-N -1 0 348.624 3.776 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001574677984 962564341 /nfs/dbraw/zinc/56/43/41/962564341.db2.gz JREMHEPMALEFHK-XQQFMLRXSA-N -1 0 335.366 3.601 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)Nc1cccc(OCCC(C)C)c1 ZINC000263430205 962606190 /nfs/dbraw/zinc/60/61/90/962606190.db2.gz NECIMWYSFRRGLX-UHFFFAOYSA-N -1 0 345.395 3.892 20 0 EHADRM CC(C)CN(C(=O)NCCCC(=O)[O-])[C@H](C)c1ccccc1Cl ZINC000263444084 962627214 /nfs/dbraw/zinc/62/72/14/962627214.db2.gz FJRRIKKYZKWHAL-CYBMUJFWSA-N -1 0 340.851 3.933 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)Nc2ccccc2OCC2CC2)C1 ZINC001574691812 962636841 /nfs/dbraw/zinc/63/68/41/962636841.db2.gz HSWUESYAWRUICU-CQSZACIVSA-N -1 0 346.427 3.584 20 0 EHADRM CC[C@H](CN(CC)C(=O)NC1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000263453968 962641931 /nfs/dbraw/zinc/64/19/31/962641931.db2.gz GYJTUXBFALCMKQ-FAEJEUNOSA-N -1 0 346.471 3.855 20 0 EHADRM CC[C@@H](CN(CC)C(=O)NC1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000263453971 962642004 /nfs/dbraw/zinc/64/20/04/962642004.db2.gz GYJTUXBFALCMKQ-ZLPCBKJTSA-N -1 0 346.471 3.855 20 0 EHADRM CC(C)c1cc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c(O)c(C(C)C)c1 ZINC001588964124 962644627 /nfs/dbraw/zinc/64/46/27/962644627.db2.gz RRAXOYWHAAOOTC-OCCSQVGLSA-N -1 0 333.428 3.622 20 0 EHADRM CC(C)c1cccc(OCC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC001588969442 962663110 /nfs/dbraw/zinc/66/31/10/962663110.db2.gz HLOBODQCGZTVJS-INIZCTEOSA-N -1 0 335.444 3.585 20 0 EHADRM CC(C)c1ccc2c(c1)CN(C(=O)[C@@H](C(=O)[O-])C1CCCC1)CC2 ZINC001588969936 962669079 /nfs/dbraw/zinc/66/90/79/962669079.db2.gz VYQUIFMIQJWZJG-SFHVURJKSA-N -1 0 329.440 3.586 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000263518365 962701125 /nfs/dbraw/zinc/70/11/25/962701125.db2.gz FVUNUWFZUFAUOD-QAPCUYQASA-N -1 0 341.382 3.519 20 0 EHADRM CC(C)c1sc(NC(=O)C2(Oc3ccccc3)CC2)nc1C(=O)[O-] ZINC001354064071 962710585 /nfs/dbraw/zinc/71/05/85/962710585.db2.gz SQCINDNECPPSHY-UHFFFAOYSA-N -1 0 346.408 3.515 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)[C@H](C)c2c(F)cccc2F)cc1)C(=O)[O-] ZINC000263548659 962724438 /nfs/dbraw/zinc/72/44/38/962724438.db2.gz VJJRGRHSNPMXDZ-VXGBXAGGSA-N -1 0 347.361 3.970 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H](CCCc3ccccc3)C2)o1 ZINC000263576581 962741981 /nfs/dbraw/zinc/74/19/81/962741981.db2.gz QPKKJZYFMJARPE-MRXNPFEDSA-N -1 0 341.407 3.853 20 0 EHADRM C[C@H](C(=O)NCC1(CC(=O)[O-])CCCC1)c1ccc(Cl)s1 ZINC001517397336 962782616 /nfs/dbraw/zinc/78/26/16/962782616.db2.gz FUYSTBOTLNICQI-JTQLQIEISA-N -1 0 329.849 3.656 20 0 EHADRM CCN(Cc1ccccc1)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000304180384 963119696 /nfs/dbraw/zinc/11/96/96/963119696.db2.gz WEQONOPISUCXSK-UHFFFAOYSA-N -1 0 334.322 3.717 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F)C1=CCCC1 ZINC000308759812 963300154 /nfs/dbraw/zinc/30/01/54/963300154.db2.gz FGMNQAFWRMELED-UHFFFAOYSA-N -1 0 338.354 3.921 20 0 EHADRM COc1cc(Br)ccc1OCc1cc(C)c(C(=O)[O-])o1 ZINC000312714400 963587155 /nfs/dbraw/zinc/58/71/55/963587155.db2.gz UADCTQBQBQKKAN-UHFFFAOYSA-N -1 0 341.157 3.636 20 0 EHADRM O=C([O-])C1(NC(=O)Cc2ccc(Cl)cc2Cl)CCCCCC1 ZINC000314530948 963766045 /nfs/dbraw/zinc/76/60/45/963766045.db2.gz SDVLHGLFYFSTIO-UHFFFAOYSA-N -1 0 344.238 3.830 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(CC(=O)[O-])C1CCCC1 ZINC000314686516 963790636 /nfs/dbraw/zinc/79/06/36/963790636.db2.gz IFDKAGIAQQCJEP-LLVKDONJSA-N -1 0 341.860 3.676 20 0 EHADRM CN(Cc1cscn1)Cc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000314919865 963829451 /nfs/dbraw/zinc/82/94/51/963829451.db2.gz JDLJDKAXBWIDBK-UHFFFAOYSA-N -1 0 336.413 3.827 20 0 EHADRM C[C@H](NC(=O)c1c[nH]c(C(=O)[O-])c1)c1ccc(Cl)cc1Cl ZINC000315146997 963861047 /nfs/dbraw/zinc/86/10/47/963861047.db2.gz WSYYPWVNYXVFLX-ZETCQYMHSA-N -1 0 327.167 3.511 20 0 EHADRM CCc1cc(Br)ccc1NC(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC000164120657 967663759 /nfs/dbraw/zinc/66/37/59/967663759.db2.gz UBSXXAGLRKZVRJ-LBPRGKRZSA-N -1 0 342.233 3.697 20 0 EHADRM CC(C)(CCNC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000263002718 967836373 /nfs/dbraw/zinc/83/63/73/967836373.db2.gz MKVZDNAVMURKNP-RYUDHWBXSA-N -1 0 344.238 3.714 20 0 EHADRM C[C@H](NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)c1cccc2ccccc21 ZINC000263095420 967845960 /nfs/dbraw/zinc/84/59/60/967845960.db2.gz APMUASKWNOEWOS-IJEWVQPXSA-N -1 0 340.423 3.653 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccccc2Oc2ccccc2)C1 ZINC000263307997 967868971 /nfs/dbraw/zinc/86/89/71/967868971.db2.gz HOCKUNOVPFIGBD-LSDHHAIUSA-N -1 0 339.391 3.662 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000315660710 967974675 /nfs/dbraw/zinc/97/46/75/967974675.db2.gz UWWKVZIVJDLZFQ-RYUDHWBXSA-N -1 0 341.860 3.534 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1cc(F)c(F)c(F)c1F ZINC000319901395 968002160 /nfs/dbraw/zinc/00/21/60/968002160.db2.gz BZEIMLZUHIIFPQ-UHFFFAOYSA-N -1 0 327.233 3.502 20 0 EHADRM N#Cc1ccc(NC(=O)c2cccc(C(=O)[O-])c2)cc1C(F)(F)F ZINC000325162398 968036264 /nfs/dbraw/zinc/03/62/64/968036264.db2.gz GWFUUIYVEXGCQB-UHFFFAOYSA-N -1 0 334.253 3.528 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)c2cc3ccccn3c2)CC1 ZINC000375357332 968062514 /nfs/dbraw/zinc/06/25/14/968062514.db2.gz SSNXBCZOWFILTQ-UHFFFAOYSA-N -1 0 348.402 3.657 20 0 EHADRM C[C@H](CCNC(=O)N1CCCC[C@H]1CCC(=O)[O-])c1ccccc1 ZINC000392229536 968198409 /nfs/dbraw/zinc/19/84/09/968198409.db2.gz VVUAWMKDHPWBSG-WBVHZDCISA-N -1 0 332.444 3.609 20 0 EHADRM CC(C)(CCNC(=O)N1CCC[C@@H]1CCCc1ccccc1)C(=O)[O-] ZINC000424405338 968363463 /nfs/dbraw/zinc/36/34/63/968363463.db2.gz OEDRWBLXVKZLCF-KRWDZBQOSA-N -1 0 346.471 3.684 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CC2(CCC2)[C@H]1c1ccccc1)C(=O)[O-] ZINC000424422898 968366542 /nfs/dbraw/zinc/36/65/42/968366542.db2.gz NIZHGZGWDWDRIB-IAGOWNOFSA-N -1 0 344.455 3.670 20 0 EHADRM CC(C)(CCNC(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1)C(=O)[O-] ZINC000424449839 968369420 /nfs/dbraw/zinc/36/94/20/968369420.db2.gz MJJXRIZNFWEUON-JKSUJKDBSA-N -1 0 332.444 3.513 20 0 EHADRM Cc1ccc(-c2cc(C(=O)NC3(CC(=O)[O-])CCCCC3)on2)cc1 ZINC000532260078 968397988 /nfs/dbraw/zinc/39/79/88/968397988.db2.gz QNEPWYPHDHHTLH-UHFFFAOYSA-N -1 0 342.395 3.557 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000532874735 968400912 /nfs/dbraw/zinc/40/09/12/968400912.db2.gz TVBJSSSQRBOIQX-NVXWUHKLSA-N -1 0 347.455 3.681 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)CCCCC1 ZINC000540705424 968402974 /nfs/dbraw/zinc/40/29/74/968402974.db2.gz RXAMXABSVOHCFA-UWJYYQICSA-N -1 0 341.451 3.574 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000564925572 968421848 /nfs/dbraw/zinc/42/18/48/968421848.db2.gz SYZXKJWPZMQKHS-WHOFXGATSA-N -1 0 344.411 3.554 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cc2F)CC[C@@H]1C(=O)[O-] ZINC000630568200 968538986 /nfs/dbraw/zinc/53/89/86/968538986.db2.gz NXBVFTCVDCBXSW-YUMQZZPRSA-N -1 0 349.189 3.707 20 0 EHADRM Cc1ccccc1CN(Cc1cccnc1)C(=O)CCCCC(=O)[O-] ZINC000655541780 968679855 /nfs/dbraw/zinc/67/98/55/968679855.db2.gz NTRGCPJJTLDBQU-UHFFFAOYSA-N -1 0 340.423 3.564 20 0 EHADRM CC(C)[C@H](CNC(=O)CCCc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000655563676 968681136 /nfs/dbraw/zinc/68/11/36/968681136.db2.gz AEDGVBZKDPYFEG-AWEZNQCLSA-N -1 0 345.361 3.501 20 0 EHADRM CC(C)[C@@H](CNC(=O)N[C@H](C)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000655870199 968698969 /nfs/dbraw/zinc/69/89/69/968698969.db2.gz PGDKVUWXIYQXNB-MWLCHTKSSA-N -1 0 347.242 3.710 20 0 EHADRM O=C([O-])[C@@H](C(=O)N1CC[C@@H](CSc2ccccc2)C1)C1CCCC1 ZINC000656851440 968722060 /nfs/dbraw/zinc/72/20/60/968722060.db2.gz BENZMJSVFUKJCB-RHSMWYFYSA-N -1 0 347.480 3.518 20 0 EHADRM C[C@@H](NC(=O)[C@]1(c2ccccc2)CC1(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000659767526 968747465 /nfs/dbraw/zinc/74/74/65/968747465.db2.gz QOMTZWIMRNQASZ-CRKCHWSSSA-N -1 0 343.467 3.606 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)CCC2)C(=O)[O-] ZINC000684750256 968873489 /nfs/dbraw/zinc/87/34/89/968873489.db2.gz WLEPRLCJRAJHKK-OAHLLOKOSA-N -1 0 346.427 3.607 20 0 EHADRM O=C([O-])CCCC(=O)NCc1ccc(Sc2ccccc2)cc1 ZINC000753967253 969157452 /nfs/dbraw/zinc/15/74/52/969157452.db2.gz IMKRURPZGJNYJE-UHFFFAOYSA-N -1 0 329.421 3.709 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000817872657 969184050 /nfs/dbraw/zinc/18/40/50/969184050.db2.gz QPZDWTKXYFMGAJ-DHGLYKSKSA-N -1 0 345.439 3.589 20 0 EHADRM CC(C)(CCc1ccccc1)NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000864143804 969323088 /nfs/dbraw/zinc/32/30/88/969323088.db2.gz QWBVMHJDLSEMKX-LUAWRHEFSA-N -1 0 327.380 3.519 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)Cc1coc2c1ccc(Cl)c2Cl ZINC000864179546 969325852 /nfs/dbraw/zinc/32/58/52/969325852.db2.gz BEYMVZRWHNHWLZ-NSHDSACASA-N -1 0 344.194 3.604 20 0 EHADRM CC1(C)[C@@H](c2ccc(C(F)(F)F)cc2)CCN1C(=O)CCC(=O)[O-] ZINC000864218206 969327171 /nfs/dbraw/zinc/32/71/71/969327171.db2.gz TVAXQOJDOAPWDW-CYBMUJFWSA-N -1 0 343.345 3.665 20 0 EHADRM CC(C)(C)CC[C@H](Nc1cc(Cl)nc([C@@H]2CCCO2)n1)C(=O)[O-] ZINC000886910570 969407873 /nfs/dbraw/zinc/40/78/73/969407873.db2.gz SFBQJDFHOXPQSY-QWRGUYRKSA-N -1 0 341.839 3.673 20 0 EHADRM CC(C)(C)CC[C@@H](Nc1cc(Cl)nc([C@@H]2CCCO2)n1)C(=O)[O-] ZINC000886910569 969408094 /nfs/dbraw/zinc/40/80/94/969408094.db2.gz SFBQJDFHOXPQSY-MNOVXSKESA-N -1 0 341.839 3.673 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C)c(F)c2)CC[C@@H]1C(=O)[O-] ZINC000887392963 969411734 /nfs/dbraw/zinc/41/17/34/969411734.db2.gz JYPNJTJMARWGIM-AAEUAGOBSA-N -1 0 336.407 3.698 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Nc1ccc(OCC2CC2)cc1 ZINC000899311504 969418020 /nfs/dbraw/zinc/41/80/20/969418020.db2.gz OOSGJKCTPLGPNW-INIZCTEOSA-N -1 0 346.427 3.727 20 0 EHADRM CC[C@@H]1c2ccsc2CCN1C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC000901858448 969483926 /nfs/dbraw/zinc/48/39/26/969483926.db2.gz OOCRYYHDVVXOEW-VQTKUKTRSA-N -1 0 331.393 3.589 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2sccc2C(F)F)c2ccccc21 ZINC000902016479 969506443 /nfs/dbraw/zinc/50/64/43/969506443.db2.gz LCOJVKBYWAKLNW-VXGBXAGGSA-N -1 0 337.347 3.729 20 0 EHADRM C[C@@H](CC(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21)C(F)(F)F ZINC000902819343 969568297 /nfs/dbraw/zinc/56/82/97/969568297.db2.gz GUDWSANSJZSINO-RYUDHWBXSA-N -1 0 343.345 3.645 20 0 EHADRM CCN(C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)C1CC(C)(C)C1 ZINC001121924839 969683756 /nfs/dbraw/zinc/68/37/56/969683756.db2.gz CLZIGDITYUMIDP-JKSUJKDBSA-N -1 0 330.428 3.520 20 0 EHADRM C[C@@]1(Cc2ccc(Cl)c(F)c2)CCCN1C(=O)CCCC(=O)[O-] ZINC001332448285 969723134 /nfs/dbraw/zinc/72/31/34/969723134.db2.gz RNIXJDGSBCJJPC-KRWDZBQOSA-N -1 0 341.810 3.658 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC001342720261 969755616 /nfs/dbraw/zinc/75/56/16/969755616.db2.gz GFPSYBDDFGGLTA-OAHLLOKOSA-N -1 0 347.308 3.562 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cccc3c(C)c(C)[nH]c32)C1 ZINC001358237706 969786082 /nfs/dbraw/zinc/78/60/82/969786082.db2.gz HPUAARKWTQDVBW-IBGZPJMESA-N -1 0 328.412 3.502 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2cccc(C(=O)[O-])c2)c(C)c1 ZINC000064872986 970307561 /nfs/dbraw/zinc/30/75/61/970307561.db2.gz UJJSTKIGAPENHO-UHFFFAOYSA-N -1 0 327.380 3.799 20 0 EHADRM Cc1ccc(-c2noc(CNc3cccc(CCC(=O)[O-])c3)n2)cc1 ZINC001607720810 970395831 /nfs/dbraw/zinc/39/58/31/970395831.db2.gz RAORBEWKFTZNPG-UHFFFAOYSA-N -1 0 337.379 3.674 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cnc(Cl)c3ccccc23)s1 ZINC000318592554 970451547 /nfs/dbraw/zinc/45/15/47/970451547.db2.gz FYPOUSMLPKWZPX-UHFFFAOYSA-N -1 0 332.768 3.900 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccccc2OC(F)F)ccc1Cl ZINC000319644277 970557556 /nfs/dbraw/zinc/55/75/56/970557556.db2.gz PJXGYKKYVQFVNE-UHFFFAOYSA-N -1 0 341.697 3.892 20 0 EHADRM Cc1sc(NC(=O)CCOc2ccccc2F)c(C(=O)[O-])c1C ZINC000320312896 970647177 /nfs/dbraw/zinc/64/71/77/970647177.db2.gz LUWUMKBLHOZMQJ-UHFFFAOYSA-N -1 0 337.372 3.610 20 0 EHADRM Cc1ccc(OCc2c(F)c(F)c(F)c(F)c2F)c(C(=O)[O-])c1 ZINC000320451793 970665942 /nfs/dbraw/zinc/66/59/42/970665942.db2.gz JWGUSMGEINYOJH-UHFFFAOYSA-N -1 0 332.224 3.968 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)c1ccc2ncccc2c1 ZINC000320600311 970683522 /nfs/dbraw/zinc/68/35/22/970683522.db2.gz BFMRHYMVGLZCDJ-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM O=C([O-])c1ncccc1OCc1coc(-c2ccc(Cl)cc2)n1 ZINC000321068434 970739172 /nfs/dbraw/zinc/73/91/72/970739172.db2.gz HITKJOUNIAFRTI-UHFFFAOYSA-N -1 0 330.727 3.667 20 0 EHADRM CSc1cc(F)ccc1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001604963012 972549745 /nfs/dbraw/zinc/54/97/45/972549745.db2.gz PCMNWAAEVKRHDH-UHFFFAOYSA-N -1 0 334.372 3.568 20 0 EHADRM CSc1ccc(Cl)c(NC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC001604964713 972552153 /nfs/dbraw/zinc/55/21/53/972552153.db2.gz BIEICNPBERTVQW-ZJUUUORDSA-N -1 0 342.848 3.636 20 0 EHADRM CSc1ccccc1CN(C)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001604971818 972565381 /nfs/dbraw/zinc/56/53/81/972565381.db2.gz SJCIEEIOEXOTBU-UHFFFAOYSA-N -1 0 344.436 3.700 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC001605846942 972589288 /nfs/dbraw/zinc/58/92/88/972589288.db2.gz FONYMIMTYPYMJI-UONOGXRCSA-N -1 0 336.347 3.544 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)[C@H]2CCC[C@H]21 ZINC000393525309 972608074 /nfs/dbraw/zinc/60/80/74/972608074.db2.gz SJKQFKYVLXCPKN-CVEARBPZSA-N -1 0 330.428 3.746 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCCCc1ccc(Cl)cc1Cl ZINC001603321060 972639643 /nfs/dbraw/zinc/63/96/43/972639643.db2.gz PHHOVQZJWSQGHC-INIZCTEOSA-N -1 0 344.238 3.543 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1cc(Cl)c(O)c2ccccc12 ZINC001603321763 972644037 /nfs/dbraw/zinc/64/40/37/972644037.db2.gz XSCBJXOSJSIPTE-QGZVFWFLSA-N -1 0 333.771 3.638 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1cccc(-c2ccc(F)cc2Cl)n1)C1CC1 ZINC001605900657 972726591 /nfs/dbraw/zinc/72/65/91/972726591.db2.gz FSNCBUMIWNBJPR-HNNXBMFYSA-N -1 0 348.761 3.590 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC[C@@H]1CCCCC1(F)F ZINC000394682328 972737293 /nfs/dbraw/zinc/73/72/93/972737293.db2.gz ZHESRJKPNOAGCN-CFNZNRNTSA-N -1 0 326.339 3.997 20 0 EHADRM C[C@@H](CCC(C)(C)C)NC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000395147798 972777951 /nfs/dbraw/zinc/77/79/51/972777951.db2.gz KPZMDMYWUUUXHP-KBPBESRZSA-N -1 0 326.481 3.734 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N[C@@H]2CCc3ccccc3C2)cc1 ZINC000396356186 972864193 /nfs/dbraw/zinc/86/41/93/972864193.db2.gz BWFZWBPUXVGWOO-FZKQIMNGSA-N -1 0 338.407 3.554 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000396362111 972867742 /nfs/dbraw/zinc/86/77/42/972867742.db2.gz JEHYMULNOGMTGR-NWDGAFQWSA-N -1 0 330.359 3.897 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC000396375210 972868930 /nfs/dbraw/zinc/86/89/30/972868930.db2.gz MGLDRFRQEZXVHK-MRVPVSSYSA-N -1 0 339.178 3.829 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1 ZINC000396507921 972909852 /nfs/dbraw/zinc/90/98/52/972909852.db2.gz QRNIGPMRKCFNIP-JTQLQIEISA-N -1 0 335.306 3.728 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2ccc(C(F)(F)F)cn2)cc1 ZINC000396539100 972915319 /nfs/dbraw/zinc/91/53/19/972915319.db2.gz ZDMGJFCXZHBINC-SECBINFHSA-N -1 0 338.285 3.541 20 0 EHADRM Cc1cc2nc(NC(=O)c3coc(/C=C/C(=O)[O-])c3)sc2cc1F ZINC001605233192 972989068 /nfs/dbraw/zinc/98/90/68/972989068.db2.gz OWESLZPYPNICHU-NSCUHMNNSA-N -1 0 346.339 3.687 20 0 EHADRM C[C@@H]1CC[C@@](C)(/C=C\C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1(C)C ZINC001603395555 973032954 /nfs/dbraw/zinc/03/29/54/973032954.db2.gz ZZHOQTGKNUPFGX-NZJREMNSSA-N -1 0 333.472 3.574 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001605277969 973073016 /nfs/dbraw/zinc/07/30/16/973073016.db2.gz YDZMWWQNSAGMCX-JKSUJKDBSA-N -1 0 329.783 3.691 20 0 EHADRM Cc1ccc(NC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)cc1OC(F)F ZINC001605288221 973091542 /nfs/dbraw/zinc/09/15/42/973091542.db2.gz NBOAPZSQFDHSCF-UHFFFAOYSA-N -1 0 341.354 3.672 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccc(COC(C)(C)C)cc2)C[C@@H]1C(=O)[O-] ZINC001603422019 973137423 /nfs/dbraw/zinc/13/74/23/973137423.db2.gz RFBIKRPHSVYTQT-BBRMVZONSA-N -1 0 348.443 3.576 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@@H](C)CCOc1ccccc1 ZINC001605320146 973152464 /nfs/dbraw/zinc/15/24/64/973152464.db2.gz ADERLWYMQFYING-AWEZNQCLSA-N -1 0 327.380 3.737 20 0 EHADRM Cc1cccc([C@H](NCc2cscc2Br)C(=O)[O-])c1 ZINC001605328848 973189670 /nfs/dbraw/zinc/18/96/70/973189670.db2.gz FCJPFBLSVOFKAV-ZDUSSCGKSA-N -1 0 340.242 3.735 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)NCCc2ccc3ccccc3c2)co1 ZINC001606064246 973199611 /nfs/dbraw/zinc/19/96/11/973199611.db2.gz YBSCWTOSNLDEHX-FPLPWBNLSA-N -1 0 335.359 3.503 20 0 EHADRM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001605347824 973245588 /nfs/dbraw/zinc/24/55/88/973245588.db2.gz TZBBLLQVLJDIKX-HUUCEWRRSA-N -1 0 329.440 3.689 20 0 EHADRM Cc1ccccc1Oc1ccc(C(=O)NCCCCCC(=O)[O-])nc1 ZINC001605357030 973276449 /nfs/dbraw/zinc/27/64/49/973276449.db2.gz SQQJPRVAPXYKJG-UHFFFAOYSA-N -1 0 342.395 3.557 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000400498038 973289389 /nfs/dbraw/zinc/28/93/89/973289389.db2.gz MGMIBOUNYUZFLU-RDTXWAMCSA-N -1 0 325.408 3.973 20 0 EHADRM O=C([O-])CC[C@H]1C[C@H](C(=O)Oc2cccc(C3CCCC3)c2)CO1 ZINC001606116784 973344929 /nfs/dbraw/zinc/34/49/29/973344929.db2.gz OQDBVIRZKLCCHP-HOTGVXAUSA-N -1 0 332.396 3.520 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000401371574 973359744 /nfs/dbraw/zinc/35/97/44/973359744.db2.gz WDBAWRYDIBLSON-LBPRGKRZSA-N -1 0 332.227 3.542 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)c1cnc(Cl)c2ccccc12)C(=O)[O-] ZINC000401377271 973360709 /nfs/dbraw/zinc/36/07/09/973360709.db2.gz NFURDMRODRNFCH-CYBMUJFWSA-N -1 0 334.803 3.507 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)NC2CCC(C3CCC3)CC2)C1 ZINC001606122982 973363184 /nfs/dbraw/zinc/36/31/84/973363184.db2.gz JCTODIIFHKGOAY-ODIFPOPNSA-N -1 0 336.476 3.632 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)CCSc1ccc(Cl)cc1)C(=O)[O-] ZINC000401430490 973364701 /nfs/dbraw/zinc/36/47/01/973364701.db2.gz HXTFXVVKHHYBCK-CYBMUJFWSA-N -1 0 343.876 3.828 20 0 EHADRM C[C@@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccccc1C(=O)[O-] ZINC001603481894 973391952 /nfs/dbraw/zinc/39/19/52/973391952.db2.gz GSMRRBHKFBKZNG-LLVKDONJSA-N -1 0 328.343 3.675 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 ZINC001606146126 973402339 /nfs/dbraw/zinc/40/23/39/973402339.db2.gz LOYWLRDIYHDISY-UHFFFAOYSA-N -1 0 337.379 3.585 20 0 EHADRM Cc1nc2cc(F)ccc2cc1C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001605416825 973429073 /nfs/dbraw/zinc/42/90/73/973429073.db2.gz OOLVSTMJCXGILQ-OAHLLOKOSA-N -1 0 346.402 3.692 20 0 EHADRM Cc1nccc2c(NC(=O)N3CCC[C@@H](CCC(=O)[O-])C3)cccc12 ZINC001605425409 973462290 /nfs/dbraw/zinc/46/22/90/973462290.db2.gz ZMBZHGOYTNGMRH-AWEZNQCLSA-N -1 0 341.411 3.652 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N(C)CCOc1ccccc1C(C)(C)C ZINC001603520119 973545736 /nfs/dbraw/zinc/54/57/36/973545736.db2.gz OFHYUSFANHPOSM-UHFFFAOYSA-N -1 0 349.471 3.712 20 0 EHADRM CCC(CC)(CNC(=O)N[C@@](C)(Cc1ccccc1)C1CC1)C(=O)[O-] ZINC001603535266 973588411 /nfs/dbraw/zinc/58/84/11/973588411.db2.gz LJFWAFDCUBDMHZ-IBGZPJMESA-N -1 0 346.471 3.588 20 0 EHADRM Cn1ccc2c1cccc2NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001605506022 973683217 /nfs/dbraw/zinc/68/32/17/973683217.db2.gz WDWCVRBYPCAKOE-AWEZNQCLSA-N -1 0 331.416 3.579 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)c2cc(F)cc3cccnc32)cc1 ZINC000588592349 1032083446 /nfs/dbraw/zinc/08/34/46/1032083446.db2.gz ZCMRPKADPDPRQO-YVMONPNESA-N -1 0 336.322 3.724 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)NC[C@@H]2CCCCC(F)(F)C2)c1 ZINC001606311370 973723577 /nfs/dbraw/zinc/72/35/77/973723577.db2.gz PZPHLAFFBXVAML-CYBMUJFWSA-N -1 0 340.370 3.651 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(CC(=O)[O-])cc2)CCc2ccccc21 ZINC000404804161 973750899 /nfs/dbraw/zinc/75/08/99/973750899.db2.gz WSWSQAOYYJIGPA-AWEZNQCLSA-N -1 0 338.407 3.507 20 0 EHADRM O=C(Nc1cccc(Oc2ccncc2)c1)c1s[n-]c(=O)c1Cl ZINC000339273789 1014139979 /nfs/dbraw/zinc/13/99/79/1014139979.db2.gz RTJIHUAHWOVPOB-UHFFFAOYSA-N -1 0 347.783 3.942 20 0 EHADRM CCC1(CC)CCc2nc(NC(=O)[C@H](C(=O)[O-])C(C)C)sc2C1 ZINC001603611687 973889971 /nfs/dbraw/zinc/88/99/71/973889971.db2.gz MDBCVUPFLLXODC-CYBMUJFWSA-N -1 0 338.473 3.734 20 0 EHADRM COc1cc(Cl)c(F)c(C(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC001604715660 973914940 /nfs/dbraw/zinc/91/49/40/973914940.db2.gz HLZVZSOKLZGLMY-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM CC[C@@H]1CCc2nc(NC(=O)c3coc(/C=C\C(=O)[O-])c3)sc2C1 ZINC001603624974 973932996 /nfs/dbraw/zinc/93/29/96/973932996.db2.gz RQZOSBHMODBLBP-AYYIZTPMSA-N -1 0 346.408 3.601 20 0 EHADRM CCc1ccc([C@H]2CCCN(C(=O)NCCCCCC(=O)[O-])C2)cc1 ZINC000414620741 973942919 /nfs/dbraw/zinc/94/29/19/973942919.db2.gz DSLTUSKJLNDUGB-SFHVURJKSA-N -1 0 346.471 3.783 20 0 EHADRM O=C([O-])CCCCCNC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000414624055 973942969 /nfs/dbraw/zinc/94/29/69/973942969.db2.gz XQNIFPFBCKACRB-GOSISDBHSA-N -1 0 332.444 3.862 20 0 EHADRM COc1cc(Oc2ccccc2)ccc1NC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC001604739244 973947530 /nfs/dbraw/zinc/94/75/30/973947530.db2.gz JYQZCCIHSIXCFH-KRWDZBQOSA-N -1 0 341.363 3.537 20 0 EHADRM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)c1cc(C(=O)[O-])ccn1 ZINC000416411830 973949989 /nfs/dbraw/zinc/94/99/89/973949989.db2.gz AVEVMGBMWBSBBY-KRWDZBQOSA-N -1 0 326.396 3.558 20 0 EHADRM CCC[C@@H](CCc1ccccc1)NC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001603633522 973961954 /nfs/dbraw/zinc/96/19/54/973961954.db2.gz FLJNDKKPIGGKPC-INIZCTEOSA-N -1 0 341.411 3.703 20 0 EHADRM COc1cc(C)c(CNc2ccc(C(C)(C)C(=O)[O-])cc2)c(C)n1 ZINC000417626159 973965894 /nfs/dbraw/zinc/96/58/94/973965894.db2.gz NFRIJYGMRFHTHF-UHFFFAOYSA-N -1 0 328.412 3.681 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1ncc(C2CCCCC2)s1 ZINC000417762940 973968569 /nfs/dbraw/zinc/96/85/69/973968569.db2.gz JOHSXUZKFQOXCW-UHFFFAOYSA-N -1 0 339.461 3.957 20 0 EHADRM O=C([O-])c1coc(CNCc2ccc(-c3cccc(F)c3F)o2)c1 ZINC000426716349 974045924 /nfs/dbraw/zinc/04/59/24/974045924.db2.gz VKOXHHAJUCNERB-UHFFFAOYSA-N -1 0 333.290 3.806 20 0 EHADRM Cc1cc(C(=O)N(CCc2ccccc2)CC(=O)[O-])c(Cl)cc1F ZINC000427758502 974059187 /nfs/dbraw/zinc/05/91/87/974059187.db2.gz LURQEBDQCKIEDK-UHFFFAOYSA-N -1 0 349.789 3.557 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)NCc3ccc(C(=O)[O-])cc3)s2)o1 ZINC000431212899 974061251 /nfs/dbraw/zinc/06/12/51/974061251.db2.gz MVUHQWHKQTURJT-UHFFFAOYSA-N -1 0 341.388 3.945 20 0 EHADRM O=C(/C=C/c1ccc(C(=O)[O-])o1)NCCc1cccc2ccccc21 ZINC001605660768 974063725 /nfs/dbraw/zinc/06/37/25/974063725.db2.gz ZRPIJANEDYFOIB-PKNBQFBNSA-N -1 0 335.359 3.503 20 0 EHADRM Cc1cccc(C[C@@H](CNC(=O)C(C)(C)C2CCCC2)C(=O)[O-])c1 ZINC000431685830 974072316 /nfs/dbraw/zinc/07/23/16/974072316.db2.gz LJPLEXCWRYOUNB-INIZCTEOSA-N -1 0 331.456 3.571 20 0 EHADRM O=C(C[C@H]1CC[C@H](C2CC2)O1)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001605669578 974074919 /nfs/dbraw/zinc/07/49/19/974074919.db2.gz KMKLVRYEWGHADC-DGCLKSJQSA-N -1 0 349.452 3.611 20 0 EHADRM COc1ccc(C(=O)NCC2(C(=O)[O-])CCCCC2)c2ccccc12 ZINC000431853497 974077683 /nfs/dbraw/zinc/07/76/83/974077683.db2.gz IJUYRTGATYHOFL-UHFFFAOYSA-N -1 0 341.407 3.613 20 0 EHADRM Cc1ccc2c(CC(=O)NCC3(C(=O)[O-])CCCCC3)coc2c1C ZINC000431875827 974077737 /nfs/dbraw/zinc/07/77/37/974077737.db2.gz PYGGPWCTONUBSB-UHFFFAOYSA-N -1 0 343.423 3.743 20 0 EHADRM CCCc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])ccc1Cl ZINC001603691685 974078297 /nfs/dbraw/zinc/07/82/97/974078297.db2.gz ACEYNTOCUMHMFT-KRWDZBQOSA-N -1 0 345.826 3.718 20 0 EHADRM CCCc1ccc([C@@H](NC(=O)N(C)C[C@H](C)C(=O)[O-])C(C)C)cc1 ZINC001603691768 974079446 /nfs/dbraw/zinc/07/94/46/974079446.db2.gz HKUWXAUGGFSNMN-YOEHRIQHSA-N -1 0 334.460 3.698 20 0 EHADRM Cc1cccc(OCCCCC(=O)N(C)C2(C(=O)[O-])CCCCC2)c1 ZINC000431977349 974079984 /nfs/dbraw/zinc/07/99/84/974079984.db2.gz LRGQEYSAJZMSOA-UHFFFAOYSA-N -1 0 347.455 3.790 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cccnc1C(F)(F)F ZINC000432004925 974083786 /nfs/dbraw/zinc/08/37/86/974083786.db2.gz DIJZDCSPLMNWNA-UHFFFAOYSA-N -1 0 338.285 3.668 20 0 EHADRM CCC(C)(C)[C@H]1CCCN1C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000432092248 974085557 /nfs/dbraw/zinc/08/55/57/974085557.db2.gz XPJONHGLCLWLHC-MRXNPFEDSA-N -1 0 347.455 3.808 20 0 EHADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)c(F)c1 ZINC000432107347 974087482 /nfs/dbraw/zinc/08/74/82/974087482.db2.gz BIDSJSKNRLMIMQ-CQSZACIVSA-N -1 0 349.789 3.685 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N[C@H](CC2CCC2)c2ccccc2)c1 ZINC000432120828 974088875 /nfs/dbraw/zinc/08/88/75/974088875.db2.gz SIUPQPIMPRZCHM-LJQANCHMSA-N -1 0 337.419 3.975 20 0 EHADRM Cc1ccc(SCC(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])c(C)c1 ZINC000432124965 974090131 /nfs/dbraw/zinc/09/01/31/974090131.db2.gz DUPVJWALWBSPKU-KBXCAEBGSA-N -1 0 335.469 3.545 20 0 EHADRM COc1cccc(-c2nnc(SCc3cccc(C(=O)[O-])c3)o2)c1 ZINC001604854540 974093637 /nfs/dbraw/zinc/09/36/37/974093637.db2.gz DXYOZLIMRJRPNB-UHFFFAOYSA-N -1 0 342.376 3.736 20 0 EHADRM COc1cccc(-c2csc(C[N@@H+]3C[C@@H](C(=O)[O-])CC[C@@H]3C)n2)c1 ZINC001604854485 974093767 /nfs/dbraw/zinc/09/37/67/974093767.db2.gz BMIRHILKDOKPSB-JSGCOSHPSA-N -1 0 346.452 3.504 20 0 EHADRM CC[C@H](NC(=O)c1s[n-]c(=O)c1Cl)c1cc(F)ccc1F ZINC000339287930 1014165743 /nfs/dbraw/zinc/16/57/43/1014165743.db2.gz SYGZRIOOQPSTQR-VIFPVBQESA-N -1 0 332.759 3.661 20 0 EHADRM COc1cc(NC(=O)c2sc(CC(C)C)nc2C)ccc1C(=O)[O-] ZINC000455856254 974153489 /nfs/dbraw/zinc/15/34/89/974153489.db2.gz IESPWVSUXQPVLH-UHFFFAOYSA-N -1 0 348.424 3.609 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2F)cc1OC(F)F ZINC000478831651 974209349 /nfs/dbraw/zinc/20/93/49/974209349.db2.gz QMTSHCAOIWFUEF-UHFFFAOYSA-N -1 0 339.269 3.686 20 0 EHADRM COc1ccc(OC(C)C)c(NC(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000478854892 974211932 /nfs/dbraw/zinc/21/19/32/974211932.db2.gz LHRNRXIUVOEJPZ-UHFFFAOYSA-N -1 0 347.342 3.572 20 0 EHADRM CC1(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CCCCC1 ZINC000514950099 974295696 /nfs/dbraw/zinc/29/56/96/974295696.db2.gz DIAQCMSSAFZQCF-KRWDZBQOSA-N -1 0 342.439 3.640 20 0 EHADRM O=C([O-])[C@@H](c1ccccc1)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000519613559 974332014 /nfs/dbraw/zinc/33/20/14/974332014.db2.gz YNRGFSOQMTWIFH-DLBZAZTESA-N -1 0 331.799 3.539 20 0 EHADRM O=C([O-])[C@@H](c1cccnc1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000520416645 974338533 /nfs/dbraw/zinc/33/85/33/974338533.db2.gz NNEULQRIOXGVJT-OAHLLOKOSA-N -1 0 337.206 3.572 20 0 EHADRM CC1(C)C[C@@H](c2ccccc2)N(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C1 ZINC000521629270 974345918 /nfs/dbraw/zinc/34/59/18/974345918.db2.gz LTIWYUZBKUOGQO-ULQDDVLXSA-N -1 0 329.440 3.877 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000537402756 974382385 /nfs/dbraw/zinc/38/23/85/974382385.db2.gz HDDYACMSKPWULL-UHFFFAOYSA-N -1 0 342.439 3.812 20 0 EHADRM Cc1ccc(C(C)(C)C(=O)NCC2(CC(=O)[O-])CCCCC2)cc1 ZINC000537473802 974384757 /nfs/dbraw/zinc/38/47/57/974384757.db2.gz CYWDCGWIMBCCTK-UHFFFAOYSA-N -1 0 331.456 3.814 20 0 EHADRM Cc1ccc2c(CC(=O)N3CCc4ccc(C(=O)[O-])cc4C3)coc2c1 ZINC000538576949 974392108 /nfs/dbraw/zinc/39/21/08/974392108.db2.gz GXYQAFDBTPGHBO-UHFFFAOYSA-N -1 0 349.386 3.567 20 0 EHADRM O=C([O-])CC1(CNC(=O)C[C@@H]2CCc3ccccc3C2)CCCCC1 ZINC000539676266 974398188 /nfs/dbraw/zinc/39/81/88/974398188.db2.gz MBGBUZAGHRJGIL-MRXNPFEDSA-N -1 0 343.467 3.723 20 0 EHADRM CC(C)(C(=O)NCC1(CC(=O)[O-])CCCCC1)c1cccc(F)c1 ZINC000539677535 974399795 /nfs/dbraw/zinc/39/97/95/974399795.db2.gz DQSBFSZAVHNATN-UHFFFAOYSA-N -1 0 335.419 3.645 20 0 EHADRM CCCCOc1cccc(NC(=O)Cc2cccc(C(=O)[O-])c2)c1 ZINC000539677945 974400286 /nfs/dbraw/zinc/40/02/86/974400286.db2.gz LXADBMIMTOOGGV-UHFFFAOYSA-N -1 0 327.380 3.745 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1ccccc1OCCC(C)C)C(=O)[O-] ZINC001603927083 974419847 /nfs/dbraw/zinc/41/98/47/974419847.db2.gz MOCLFDMQZHEFBU-BBRMVZONSA-N -1 0 336.432 3.732 20 0 EHADRM COc1ccc(C[C@@H](C)C(=O)Nc2ccc(C)cc2C(=O)[O-])cc1 ZINC000544407344 974421000 /nfs/dbraw/zinc/42/10/00/974421000.db2.gz GACHRTGFAALJJK-CYBMUJFWSA-N -1 0 327.380 3.519 20 0 EHADRM CCc1oc2ccccc2c1CN(C)C(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC001603997479 974500860 /nfs/dbraw/zinc/50/08/60/974500860.db2.gz FMFWYHQOJSZMFS-INIZCTEOSA-N -1 0 331.412 3.701 20 0 EHADRM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000562982978 974511483 /nfs/dbraw/zinc/51/14/83/974511483.db2.gz ZINGZSVIEUVKDX-UHFFFAOYSA-N -1 0 334.460 3.626 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(C(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC000563262437 974523374 /nfs/dbraw/zinc/52/33/74/974523374.db2.gz NOTMRGRLYYJKMS-RBUKOAKNSA-N -1 0 341.451 3.602 20 0 EHADRM O=C([O-])CCC1CC[NH+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000563274573 974523586 /nfs/dbraw/zinc/52/35/86/974523586.db2.gz QINJSFYWXWIZJL-UHFFFAOYSA-N -1 0 330.453 3.887 20 0 EHADRM C[C@H](NC(=O)c1cccc(C2CC2)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000563425004 974531127 /nfs/dbraw/zinc/53/11/27/974531127.db2.gz UQAFHBGKOCLDCZ-IFXJQAMLSA-N -1 0 337.419 3.626 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1cccc(OCc2cccc(F)c2)c1 ZINC000563548675 974535783 /nfs/dbraw/zinc/53/57/83/974535783.db2.gz JHIKFIXKHIJAKW-CYBMUJFWSA-N -1 0 345.370 3.844 20 0 EHADRM O=C([O-])CCC(=O)NC(CCc1ccccc1)CCc1ccccc1 ZINC000564967892 974560626 /nfs/dbraw/zinc/56/06/26/974560626.db2.gz RKRFQTUJHSCREC-UHFFFAOYSA-N -1 0 339.435 3.602 20 0 EHADRM Cc1ccc(CCN(Cc2ccco2)C(=O)C[C@@H](C)CC(=O)[O-])cc1 ZINC000565430656 974581891 /nfs/dbraw/zinc/58/18/91/974581891.db2.gz DUHNCAPAJOCBNU-MRXNPFEDSA-N -1 0 343.423 3.660 20 0 EHADRM COc1cc(CN2CC[C@H](C(=O)[O-])c3ccccc32)ccc1SC ZINC000566552342 974616996 /nfs/dbraw/zinc/61/69/96/974616996.db2.gz RHPOBBLBYBEPHD-HNNXBMFYSA-N -1 0 343.448 3.996 20 0 EHADRM O=C([O-])c1ccc(CN2CCO[C@@H](c3ccc(F)cc3)C2)cc1Cl ZINC000566742866 974620888 /nfs/dbraw/zinc/62/08/88/974620888.db2.gz AYNBMOHJSQITIT-QGZVFWFLSA-N -1 0 349.789 3.751 20 0 EHADRM Cc1cc(S(=O)(=O)N(C)c2ccccc2C(C)C)ccc1C(=O)[O-] ZINC000566759757 974621074 /nfs/dbraw/zinc/62/10/74/974621074.db2.gz WYQYICQIVOWFIY-UHFFFAOYSA-N -1 0 347.436 3.642 20 0 EHADRM CCC[C@@H]1CCC[C@@H]1C(=O)N[C@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC000566984352 974625669 /nfs/dbraw/zinc/62/56/69/974625669.db2.gz HSXXELCVBDMEKX-UNEWFSDZSA-N -1 0 333.428 3.544 20 0 EHADRM Cc1csc(CCCC(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)n1 ZINC000567969240 974649439 /nfs/dbraw/zinc/64/94/39/974649439.db2.gz RZYVHHFIQIAKNY-LBPRGKRZSA-N -1 0 346.452 3.676 20 0 EHADRM CN(CCc1ccc(Cl)cc1)C(=O)CCc1ccccc1C(=O)[O-] ZINC000570108495 974705224 /nfs/dbraw/zinc/70/52/24/974705224.db2.gz ZFFZDWXRLUIGGF-UHFFFAOYSA-N -1 0 345.826 3.672 20 0 EHADRM C[C@@]1(c2ccccc2)CN(Cc2cccc(C(=O)[O-])c2Cl)CCO1 ZINC000570456775 974712063 /nfs/dbraw/zinc/71/20/63/974712063.db2.gz LSDZLLNYHRSDSU-IBGZPJMESA-N -1 0 345.826 3.786 20 0 EHADRM Cc1ccc(CC(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1C ZINC000570505727 974712865 /nfs/dbraw/zinc/71/28/65/974712865.db2.gz NAHJSWOWRBYWII-OAHLLOKOSA-N -1 0 325.408 3.748 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CN(Cc2nc(C(=O)[O-])cs2)C2CC2)o1 ZINC000570808136 974718213 /nfs/dbraw/zinc/71/82/13/974718213.db2.gz CXLSOMUHGLHOIK-MFKMUULPSA-N -1 0 332.425 3.722 20 0 EHADRM CC(C)Oc1ccc(CN2CCSC[C@@H]2CC(=O)[O-])cc1Cl ZINC000571648317 974733468 /nfs/dbraw/zinc/73/34/68/974733468.db2.gz MLVGKGDOZDIYDD-ZDUSSCGKSA-N -1 0 343.876 3.519 20 0 EHADRM CCOc1cc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)ccc1C ZINC000579693306 1014213349 /nfs/dbraw/zinc/21/33/49/1014213349.db2.gz REMQXCBQABZQIS-UHFFFAOYSA-N -1 0 345.342 3.612 20 0 EHADRM Cc1ccccc1[C@H](C(=O)[O-])N(C)Cc1nc(C(F)(F)F)cs1 ZINC000573499636 974766505 /nfs/dbraw/zinc/76/65/05/974766505.db2.gz KNSGPDZAMFCVJC-CYBMUJFWSA-N -1 0 344.358 3.728 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1nc(CCC(C)C)no1 ZINC000574770710 974788488 /nfs/dbraw/zinc/78/84/88/974788488.db2.gz KOUXNVMLTXINMA-MRXNPFEDSA-N -1 0 345.443 3.696 20 0 EHADRM O=C([O-])C1(CNC(=O)Cc2c(Cl)cccc2Cl)CCCCC1 ZINC000317136235 1014221963 /nfs/dbraw/zinc/22/19/63/1014221963.db2.gz JGMIIAZDEREKHW-UHFFFAOYSA-N -1 0 344.238 3.687 20 0 EHADRM O=C([O-])c1cnoc1CN(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000579116543 974868850 /nfs/dbraw/zinc/86/88/50/974868850.db2.gz BPOVRGXWNCAYOQ-UHFFFAOYSA-N -1 0 341.194 3.844 20 0 EHADRM CC(C)c1ccc(C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)nc1 ZINC000580452493 974894556 /nfs/dbraw/zinc/89/45/56/974894556.db2.gz WWYWNHKXBLVPRB-UHFFFAOYSA-N -1 0 346.814 3.585 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000581380247 974909521 /nfs/dbraw/zinc/90/95/21/974909521.db2.gz NDGYAIPOHIDLIG-QAPCUYQASA-N -1 0 325.408 3.588 20 0 EHADRM C[C@@H](NCc1ccc(F)c(C(F)(F)F)c1)c1ncc(C(=O)[O-])s1 ZINC000581726874 974914714 /nfs/dbraw/zinc/91/47/14/974914714.db2.gz NMOLKXOYPHIJTF-SSDOTTSWSA-N -1 0 348.321 3.850 20 0 EHADRM CSc1ccc(CCCC(=O)NC2(CC(=O)[O-])CCCC2)cc1 ZINC000582788405 974931166 /nfs/dbraw/zinc/93/11/66/974931166.db2.gz HWNYNFOPOAESNI-UHFFFAOYSA-N -1 0 335.469 3.635 20 0 EHADRM CO[C@H]1CCOc2c(NC(=O)CC3(CC(=O)[O-])CCCC3)cccc21 ZINC000582765260 974931513 /nfs/dbraw/zinc/93/15/13/974931513.db2.gz AKLXAHMTZMXCGS-HNNXBMFYSA-N -1 0 347.411 3.520 20 0 EHADRM COCc1ccc([C@@H]2CCCN2[C@@H](C(=O)[O-])c2ccccc2F)o1 ZINC000583387014 974940398 /nfs/dbraw/zinc/94/03/98/974940398.db2.gz VVOLYURNJTYQBW-DOTOQJQBSA-N -1 0 333.359 3.528 20 0 EHADRM COCc1ccc([C@@H]2CCCN2[C@H](C(=O)[O-])c2ccccc2F)o1 ZINC000583387016 974940646 /nfs/dbraw/zinc/94/06/46/974940646.db2.gz VVOLYURNJTYQBW-RDJZCZTQSA-N -1 0 333.359 3.528 20 0 EHADRM CC(C)SCC(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000590638114 974969939 /nfs/dbraw/zinc/96/99/39/974969939.db2.gz SUWHKYQYMSJROE-INIZCTEOSA-N -1 0 331.437 3.613 20 0 EHADRM CCCCS[C@H](C)C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC000600869920 975007681 /nfs/dbraw/zinc/00/76/81/975007681.db2.gz NHLABHGCPISCPY-WDEREUQCSA-N -1 0 343.420 3.538 20 0 EHADRM CSCCc1ccc(NC(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC000600882212 975012586 /nfs/dbraw/zinc/01/25/86/975012586.db2.gz RSMCLBTUYXJQIJ-UHFFFAOYSA-N -1 0 343.448 3.862 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2CC3(CCC3)C2)c(OC(F)F)c1 ZINC000621565477 975032449 /nfs/dbraw/zinc/03/24/49/975032449.db2.gz XJMMJOSZGLSFAI-UHFFFAOYSA-N -1 0 325.311 3.505 20 0 EHADRM CCCn1c(C(=O)N2CCCCC[C@@H]2C(=O)[O-])cc2ccccc21 ZINC000621569991 975036346 /nfs/dbraw/zinc/03/63/46/975036346.db2.gz PANVHUPJFWWSES-MRXNPFEDSA-N -1 0 328.412 3.521 20 0 EHADRM CC[C@H](C(=O)N1CCc2c(cccc2C(=O)[O-])C1)c1ccc(F)cc1 ZINC000621580070 975041383 /nfs/dbraw/zinc/04/13/83/975041383.db2.gz LPBLGBLPINSCNG-INIZCTEOSA-N -1 0 341.382 3.602 20 0 EHADRM CC(C)[C@H](CC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC000621610411 975059082 /nfs/dbraw/zinc/05/90/82/975059082.db2.gz IUFWIGKDLCRIFL-OCCSQVGLSA-N -1 0 346.452 3.848 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC[C@H](C2CCC2)CC1)c1ncc(C(=O)[O-])s1 ZINC000621612531 975061613 /nfs/dbraw/zinc/06/16/13/975061613.db2.gz CGQOEKJTMXZBDK-DRZSPHRISA-N -1 0 336.457 3.625 20 0 EHADRM C[C@H](NC(=O)c1ccc(C2CCC2)cc1)c1ncc(C(=O)[O-])s1 ZINC000621612322 975061644 /nfs/dbraw/zinc/06/16/44/975061644.db2.gz YEIVQNYTVGEUCH-JTQLQIEISA-N -1 0 330.409 3.600 20 0 EHADRM CC(C)[C@@H]1C[C@H](NC(=O)NCCCCCC(=O)[O-])c2ccccc21 ZINC000626766968 975070657 /nfs/dbraw/zinc/07/06/57/975070657.db2.gz VAIRGWDETGWCHJ-IRXDYDNUSA-N -1 0 332.444 3.815 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1)c1cccs1 ZINC000630102793 975101948 /nfs/dbraw/zinc/10/19/48/975101948.db2.gz WACVGWXYCFMUBY-ZNMIVQPWSA-N -1 0 347.411 3.713 20 0 EHADRM CCOc1ccc([C@H]2CCCN2C(=O)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC000630104319 975102658 /nfs/dbraw/zinc/10/26/58/975102658.db2.gz LHPYMVGFWFNIOW-OAHLLOKOSA-N -1 0 343.379 3.662 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)CCCCC1 ZINC000630132544 975117085 /nfs/dbraw/zinc/11/70/85/975117085.db2.gz SHVWMADHLLCQRC-HYVNUMGLSA-N -1 0 347.842 3.520 20 0 EHADRM Cc1cc(NC(=O)c2ccc(C3CCOCC3)cc2)ccc1C(=O)[O-] ZINC000630138131 975121960 /nfs/dbraw/zinc/12/19/60/975121960.db2.gz CXROIBNUCJGNOK-UHFFFAOYSA-N -1 0 339.391 3.840 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)Cc2ccccc21 ZINC000630155973 975132757 /nfs/dbraw/zinc/13/27/57/975132757.db2.gz KHPXKKTWLKRCKR-HLIPFELVSA-N -1 0 349.430 3.781 20 0 EHADRM Cc1cc(C(=O)N[C@H](c2ccc(F)c(C)c2)C2CC2)oc1C(=O)[O-] ZINC000630204637 975158331 /nfs/dbraw/zinc/15/83/31/975158331.db2.gz PJMOIBIUYAASBA-HNNXBMFYSA-N -1 0 331.343 3.615 20 0 EHADRM O=C([O-])Cc1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000630232746 975179823 /nfs/dbraw/zinc/17/98/23/975179823.db2.gz NQXZVNUOISIUFI-RCCFBDPRSA-N -1 0 329.440 3.536 20 0 EHADRM CC[C@H](CC(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1)C(C)C ZINC000630258091 975201063 /nfs/dbraw/zinc/20/10/63/975201063.db2.gz JKLQEARESTVQMQ-NWDGAFQWSA-N -1 0 325.380 3.688 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)c2sccc2C2CC2)cc1F)C(=O)[O-] ZINC000630259941 975203489 /nfs/dbraw/zinc/20/34/89/975203489.db2.gz RXEBWBIBSCIGHD-VIFPVBQESA-N -1 0 349.383 3.869 20 0 EHADRM CC1=CC[C@](C)(C(=O)Nc2ccc(O[C@@H](C)C(=O)[O-])c(F)c2)CC1 ZINC000630260794 975204923 /nfs/dbraw/zinc/20/49/23/975204923.db2.gz PKTLWYURONNRBD-SGTLLEGYSA-N -1 0 335.375 3.753 20 0 EHADRM C[C@H](C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1)c1ccc(Cl)s1 ZINC000630265922 975209834 /nfs/dbraw/zinc/20/98/34/975209834.db2.gz SVAQVIZOXHWJHQ-CMPLNLGQSA-N -1 0 343.876 3.902 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)c1coc(C2CCCCC2)n1 ZINC000547623152 1014244404 /nfs/dbraw/zinc/24/44/04/1014244404.db2.gz YSCDCDIMRCPXTB-UHFFFAOYSA-N -1 0 348.406 3.854 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N1CCC(F)(F)C[C@H]1C)C(=O)[O-] ZINC000630274890 975219827 /nfs/dbraw/zinc/21/98/27/975219827.db2.gz ONELRZYPHHRVCG-GHMZBOCLSA-N -1 0 343.395 3.512 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CC[C@@H](c2cccc(F)c2)C1(C)C ZINC000630275637 975220448 /nfs/dbraw/zinc/22/04/48/975220448.db2.gz QYKIWSKSAUNRBO-HNNXBMFYSA-N -1 0 335.419 3.811 20 0 EHADRM Cc1ccc(CCC(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)cc1Cl ZINC000630286093 975230313 /nfs/dbraw/zinc/23/03/13/975230313.db2.gz PVIPVAGRLDJSFR-HLLBOEOZSA-N -1 0 349.858 3.683 20 0 EHADRM Cc1ccc([C@@H](C)N(C)C(=O)Cc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000630288611 975232069 /nfs/dbraw/zinc/23/20/69/975232069.db2.gz MJUVTCGWUBCEML-OAHLLOKOSA-N -1 0 325.408 3.764 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000630294897 975235303 /nfs/dbraw/zinc/23/53/03/975235303.db2.gz SRAMTLARKVBNOI-FUHWJXTLSA-N -1 0 337.419 3.770 20 0 EHADRM Cc1ccc(C(C)(C)CNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c(C)c1 ZINC000630295493 975235317 /nfs/dbraw/zinc/23/53/17/975235317.db2.gz TVXLDVWVJVFZMV-WKILWMFISA-N -1 0 331.456 3.588 20 0 EHADRM Cc1ccc([C@H]2CCN(C(=O)CCc3ccccc3C(=O)[O-])C2)cc1 ZINC000630296764 975236264 /nfs/dbraw/zinc/23/62/64/975236264.db2.gz ZTKQQMJNUBEATD-SFHVURJKSA-N -1 0 337.419 3.642 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000630302551 975240256 /nfs/dbraw/zinc/24/02/56/975240256.db2.gz XVRCHCWMPREEAO-HNNXBMFYSA-N -1 0 325.355 3.663 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N(CC2CC2)c2cccc(F)c2)c1 ZINC000630305447 975241272 /nfs/dbraw/zinc/24/12/72/975241272.db2.gz QIZDSERULRZFLU-UHFFFAOYSA-N -1 0 327.355 3.510 20 0 EHADRM O=C([O-])C12CCC(CC1)N2C(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000630324712 975252697 /nfs/dbraw/zinc/25/26/97/975252697.db2.gz PCKQGOHODDLKRV-UHFFFAOYSA-N -1 0 334.375 3.543 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)CCCc2cccs2)cc1 ZINC000630327817 975254882 /nfs/dbraw/zinc/25/48/82/975254882.db2.gz WOEUJJFBEQDTFM-JKSUJKDBSA-N -1 0 329.421 3.898 20 0 EHADRM COc1cc(F)cc(OC)c1CNc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000630458401 975265502 /nfs/dbraw/zinc/26/55/02/975265502.db2.gz IWDUPPMDEAYUSM-UHFFFAOYSA-N -1 0 347.386 3.817 20 0 EHADRM COc1ccc2nc(C(=O)Nc3cccc(C(=O)[O-])c3C)ccc2c1 ZINC000642148907 975290917 /nfs/dbraw/zinc/29/09/17/975290917.db2.gz ZZPGYASFENLXLI-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM O=C([O-])c1cnc(N[C@@H]2CCO[C@H](c3ccccc3)C2)c(Cl)c1 ZINC000647452918 975363989 /nfs/dbraw/zinc/36/39/89/975363989.db2.gz PYQPQFPHCPHLAD-HIFRSBDPSA-N -1 0 332.787 3.765 20 0 EHADRM C[C@H](Nc1ncc(C(=O)[O-])cc1Cl)[C@@H]1OCCc2sccc21 ZINC000647455723 975364919 /nfs/dbraw/zinc/36/49/19/975364919.db2.gz LJVHFLHWOYMUIQ-SDBXPKJASA-N -1 0 338.816 3.609 20 0 EHADRM CCCc1ccc(CCCC(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000647728952 975375271 /nfs/dbraw/zinc/37/52/71/975375271.db2.gz PFZOFIMRIVFPMI-UHFFFAOYSA-N -1 0 331.456 3.721 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)NC1(c2ccccc2Cl)CC1 ZINC000649255679 975394383 /nfs/dbraw/zinc/39/43/83/975394383.db2.gz ZEOGCSCWGAXVLD-UHFFFAOYSA-N -1 0 343.810 3.776 20 0 EHADRM O=C([O-])c1cccc2c1CN(C(=O)CCc1cccc(Cl)c1)CC2 ZINC000649257665 975397121 /nfs/dbraw/zinc/39/71/21/975397121.db2.gz TTWDWDVCGQJQGX-UHFFFAOYSA-N -1 0 343.810 3.556 20 0 EHADRM CCO[C@H]1CCCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC000652394775 975521081 /nfs/dbraw/zinc/52/10/81/975521081.db2.gz FQKQSEMFDZGYIV-HZMBPMFUSA-N -1 0 332.227 3.620 20 0 EHADRM O=C([O-])c1ccc(CN2CCOC[C@@H]2c2ccccc2)cc1Cl ZINC000652428994 975528403 /nfs/dbraw/zinc/52/84/03/975528403.db2.gz QWBRXLYGZCNSKA-QGZVFWFLSA-N -1 0 331.799 3.612 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N[C@H]2CCCC[C@H]2c2ccccc2)c1 ZINC000653639181 975604493 /nfs/dbraw/zinc/60/44/93/975604493.db2.gz BIBCCRFPJCPOLP-OALUTQOASA-N -1 0 337.419 3.770 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000653639242 975604552 /nfs/dbraw/zinc/60/45/52/975604552.db2.gz IZUBLAGSIYGYIG-KRWDZBQOSA-N -1 0 343.810 3.944 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000653640007 975605906 /nfs/dbraw/zinc/60/59/06/975605906.db2.gz FHYUBFKHEUCUCB-LJQANCHMSA-N -1 0 341.382 3.724 20 0 EHADRM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1cccc(CC(=O)[O-])c1 ZINC000653644461 975614455 /nfs/dbraw/zinc/61/44/55/975614455.db2.gz NUKGECMAJCNAEA-STQMWFEESA-N -1 0 341.382 3.601 20 0 EHADRM Cc1sc(NC(=O)N2CCC(CCC(=O)[O-])CC2)nc1C(C)C ZINC000656604304 975665515 /nfs/dbraw/zinc/66/55/15/975665515.db2.gz BGOGMIXCWYTZAY-UHFFFAOYSA-N -1 0 339.461 3.684 20 0 EHADRM Cc1ccc(C(=O)NCc2c(C(=O)[O-])sc3ccsc32)cc1 ZINC000339358008 1014277720 /nfs/dbraw/zinc/27/77/20/1014277720.db2.gz FCVXCEHTZGADBG-UHFFFAOYSA-N -1 0 331.418 3.899 20 0 EHADRM CC(C)OCc1ccc(C(=O)O[C@@H](C)c2cc(C(=O)[O-])co2)cc1 ZINC001591731157 975706290 /nfs/dbraw/zinc/70/62/90/975706290.db2.gz QGXQFDUHSCBNIP-LBPRGKRZSA-N -1 0 332.352 3.821 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N(CCc1ccccc1)C1CCCC1 ZINC000659121788 975720113 /nfs/dbraw/zinc/72/01/13/975720113.db2.gz LAQFMWWSUBEDMT-UHFFFAOYSA-N -1 0 341.407 3.914 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)[C@H]1CCCC2(CC2)C1)C(=O)[O-] ZINC000659123077 975723560 /nfs/dbraw/zinc/72/35/60/975723560.db2.gz LSGGFNWNCBFNCX-RDJZCZTQSA-N -1 0 329.440 3.706 20 0 EHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000659128613 975728120 /nfs/dbraw/zinc/72/81/20/975728120.db2.gz OWYMZTCDBHVSBV-WBTNSWJXSA-N -1 0 329.440 3.662 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000659130708 975730367 /nfs/dbraw/zinc/73/03/67/975730367.db2.gz FSSDRIJBQHAQSD-HWWDLCQESA-N -1 0 331.412 3.613 20 0 EHADRM CC[C@@H]1CN(C(=O)c2cc(C(=O)[O-])oc2C)CC[C@H]1c1ccccc1 ZINC000659140276 975740819 /nfs/dbraw/zinc/74/08/19/975740819.db2.gz MNHMLPMILRQISK-GDBMZVCRSA-N -1 0 341.407 3.942 20 0 EHADRM Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1C ZINC000659144235 975744161 /nfs/dbraw/zinc/74/41/61/975744161.db2.gz CRHPODUISPVULG-FGTMMUONSA-N -1 0 343.467 3.756 20 0 EHADRM Cc1nc2ccc(NC(=O)C3(C(=O)[O-])CC4(CCC4)C3)cc2s1 ZINC000659145812 975745842 /nfs/dbraw/zinc/74/58/42/975745842.db2.gz IENCJUAQBGEUNG-UHFFFAOYSA-N -1 0 330.409 3.578 20 0 EHADRM COc1cccc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1C ZINC000659148373 975749505 /nfs/dbraw/zinc/74/95/05/975749505.db2.gz YLSOIQAVOLYMQP-LBPRGKRZSA-N -1 0 327.380 3.519 20 0 EHADRM CC(C)Oc1c(NC(=O)c2ccc(CF)cc2)cccc1C(=O)[O-] ZINC001591746309 975781106 /nfs/dbraw/zinc/78/11/06/975781106.db2.gz HSWYLFRELSPIIY-UHFFFAOYSA-N -1 0 331.343 3.894 20 0 EHADRM C[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21)c1ccc(Cl)cc1 ZINC000659193600 975792873 /nfs/dbraw/zinc/79/28/73/975792873.db2.gz PYWOLPMZLZEXAY-OSMBCOQSSA-N -1 0 349.858 3.935 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC000659207319 975817829 /nfs/dbraw/zinc/81/78/29/975817829.db2.gz AYMORSGMHSODHW-NVXWUHKLSA-N -1 0 347.455 3.585 20 0 EHADRM C[C@@H](CC(=O)N[C@@](C)(CCF)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000659215468 975828136 /nfs/dbraw/zinc/82/81/36/975828136.db2.gz NFMQAOBIWSOGIA-BONVTDFDSA-N -1 0 349.324 3.518 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)N[C@H](C2CCC2)C2CCCC2)CC1 ZINC000659409371 975848700 /nfs/dbraw/zinc/84/87/00/975848700.db2.gz CKONYZKYGCLJRR-SFHVURJKSA-N -1 0 336.476 3.632 20 0 EHADRM Cc1cccc(C)c1[C@@H]1CCCN1C(=O)NCCCCCC(=O)[O-] ZINC000659407226 975848749 /nfs/dbraw/zinc/84/87/49/975848749.db2.gz XUXIORIAHWQLRZ-INIZCTEOSA-N -1 0 332.444 3.795 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1CCCCC1(F)F ZINC001591761513 975852042 /nfs/dbraw/zinc/85/20/42/975852042.db2.gz NNMVAKOWRVFQBK-LBPRGKRZSA-N -1 0 341.354 3.936 20 0 EHADRM CCC1(CC)CCCN(C(=O)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC000659761258 975868853 /nfs/dbraw/zinc/86/88/53/975868853.db2.gz YIFINZCPWGMVAU-UHFFFAOYSA-N -1 0 333.428 3.583 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(c2nc(C(F)F)nc3ccccc32)C1 ZINC000662888267 975910794 /nfs/dbraw/zinc/91/07/94/975910794.db2.gz ZLEAFBHVLMOMAJ-LLVKDONJSA-N -1 0 335.354 3.649 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)Cc2ccccc21 ZINC000663135792 975932815 /nfs/dbraw/zinc/93/28/15/975932815.db2.gz UVCKLFDLXMWCHF-IAAVTCLWSA-N -1 0 341.451 3.804 20 0 EHADRM C[C@H](C(=O)NC(C)(C)CCC(=O)[O-])c1c(Cl)cccc1Cl ZINC000666364097 975960823 /nfs/dbraw/zinc/96/08/23/975960823.db2.gz MJFVJDIAGPLBSE-VIFPVBQESA-N -1 0 332.227 3.857 20 0 EHADRM O=C([O-])CCCCNC(=O)N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000666550600 975972151 /nfs/dbraw/zinc/97/21/51/975972151.db2.gz FAMZEKALEFPTJZ-HIFRSBDPSA-N -1 0 338.835 3.530 20 0 EHADRM CC(C)Oc1cccc([C@@H](C)NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC001591791753 975988618 /nfs/dbraw/zinc/98/86/18/975988618.db2.gz MYDABLFMARAWCQ-XOKHGSTOSA-N -1 0 333.428 3.542 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H](C2CCCCC2)C(F)(F)F)c(F)c1 ZINC000668301652 975991546 /nfs/dbraw/zinc/99/15/46/975991546.db2.gz OXUVMZFVVHERAU-ZDUSSCGKSA-N -1 0 347.308 3.765 20 0 EHADRM C[C@H](Cc1ccc(NCc2nc3c(s2)CCCC3)cc1)C(=O)[O-] ZINC000669478123 976006625 /nfs/dbraw/zinc/00/66/25/976006625.db2.gz WGEFJDPOESGIAP-GFCCVEGCSA-N -1 0 330.453 3.897 20 0 EHADRM CC(C)Oc1cccc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC001591796418 976008361 /nfs/dbraw/zinc/00/83/61/976008361.db2.gz JIUZZBBBIVJJSB-UHFFFAOYSA-N -1 0 331.412 3.838 20 0 EHADRM CC(C)Oc1cncc(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])c1 ZINC001591803595 976024365 /nfs/dbraw/zinc/02/43/65/976024365.db2.gz MTFOFMLUAOBMKU-UHFFFAOYSA-N -1 0 342.395 3.943 20 0 EHADRM O=C([O-])[C@@H](NCc1cccc(Cl)c1F)c1cc(F)ccc1F ZINC000683172665 976077796 /nfs/dbraw/zinc/07/77/96/976077796.db2.gz FWTLKCIMVQCPJZ-AWEZNQCLSA-N -1 0 329.705 3.673 20 0 EHADRM CC(C)Sc1ccc([C@@H](C)NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001591829176 976090767 /nfs/dbraw/zinc/09/07/67/976090767.db2.gz HBFHNXLAZFHRMV-VHDGCEQUSA-N -1 0 335.469 3.865 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)Nc2ccc(C(=O)[O-])cc2N(C)C)CC1 ZINC001591907296 976308375 /nfs/dbraw/zinc/30/83/75/976308375.db2.gz JVCAWHFWFJLUAT-HDJSIYSDSA-N -1 0 332.444 3.852 20 0 EHADRM CC(C)c1[nH]c(CN2CCC[C@@H](C(F)(F)F)[C@H]2C)cc1C(=O)[O-] ZINC001591912334 976342221 /nfs/dbraw/zinc/34/22/21/976342221.db2.gz KIDVDUUXAFUEPN-ZWNOBZJWSA-N -1 0 332.366 3.999 20 0 EHADRM CC(C)c1[nH]ccc1C(=O)N[C@@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21 ZINC001591918799 976386457 /nfs/dbraw/zinc/38/64/57/976386457.db2.gz YTTNCRAKUOQHRC-XCLFUZPHSA-N -1 0 340.423 3.745 20 0 EHADRM CC(C)c1ccc(C(=O)COC(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC001591943651 976482522 /nfs/dbraw/zinc/48/25/22/976482522.db2.gz OKHPEIPHSSJFEF-UHFFFAOYSA-N -1 0 332.377 3.609 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c(O)c1 ZINC001591947187 976489592 /nfs/dbraw/zinc/48/95/92/976489592.db2.gz HNKXPVPMSHOMCH-LBPRGKRZSA-N -1 0 327.380 3.956 20 0 EHADRM CC(C)c1ccc(C(C)(C)NC(=O)Nc2cccc(C(=O)[O-])n2)cc1 ZINC001591947705 976493633 /nfs/dbraw/zinc/49/36/33/976493633.db2.gz RGPKXXNJXORJNK-UHFFFAOYSA-N -1 0 341.411 3.960 20 0 EHADRM CC(C)c1nc(NC(=O)c2ccc(C(C)C)nc2)sc1C(=O)[O-] ZINC001591947838 976494953 /nfs/dbraw/zinc/49/49/53/976494953.db2.gz YVLSHAVHXWBRAH-UHFFFAOYSA-N -1 0 333.413 3.735 20 0 EHADRM CC(C)c1ccc(C2(C(=O)N3CC[C@@H](C(=O)[O-])[C@@H]3C)CCC2)cc1 ZINC001591949333 976506954 /nfs/dbraw/zinc/50/69/54/976506954.db2.gz VACMLMWEEXZAFE-WMLDXEAASA-N -1 0 329.440 3.553 20 0 EHADRM CC(C)c1ccc(NC(=O)c2nc(Cl)ccc2F)c(C(=O)[O-])c1 ZINC001591967572 976563960 /nfs/dbraw/zinc/56/39/60/976563960.db2.gz GGJAWZZYKABZII-UHFFFAOYSA-N -1 0 336.750 3.948 20 0 EHADRM CC(C)c1ccc(NC(=O)c2cccc3nccnc32)c(C(=O)[O-])c1 ZINC001591968926 976568511 /nfs/dbraw/zinc/56/85/11/976568511.db2.gz UOABFTGKXGDYTR-UHFFFAOYSA-N -1 0 335.363 3.704 20 0 EHADRM CC(C)c1ccc2c(c1)CN(C(=O)c1ccsc1C(=O)[O-])CC2 ZINC001591980610 976593754 /nfs/dbraw/zinc/59/37/54/976593754.db2.gz IGBWZMINMUQCDD-UHFFFAOYSA-N -1 0 329.421 3.768 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])[nH]c2c1 ZINC001591981122 976596356 /nfs/dbraw/zinc/59/63/56/976596356.db2.gz NVQUBJNEULKRHJ-INIZCTEOSA-N -1 0 330.428 3.911 20 0 EHADRM CC(C)c1ccccc1NC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001591998059 976645483 /nfs/dbraw/zinc/64/54/83/976645483.db2.gz MACMBRJBSYSBRU-UHFFFAOYSA-N -1 0 330.359 3.969 20 0 EHADRM CC(C)c1cnc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC001592002623 976651863 /nfs/dbraw/zinc/65/18/63/976651863.db2.gz LASWBXAVYRNNOX-OLZOCXBDSA-N -1 0 345.424 3.701 20 0 EHADRM CC(C)c1ccsc1C(=O)N1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001592003266 976660469 /nfs/dbraw/zinc/66/04/69/976660469.db2.gz OIVRNDOAJGEADE-UHFFFAOYSA-N -1 0 345.420 3.605 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2CCC[C@H]3C[C@H]32)ccc1Br ZINC000694341196 976692135 /nfs/dbraw/zinc/69/21/35/976692135.db2.gz ANZGIABLYXEYCD-JMJZKYOTSA-N -1 0 338.201 3.522 20 0 EHADRM CC(C)c1nc(NC(=O)c2ccc3c(c2)CCCN3)sc1C(=O)[O-] ZINC001592028737 976730983 /nfs/dbraw/zinc/73/09/83/976730983.db2.gz ROYMZMBIJGVVJZ-UHFFFAOYSA-N -1 0 345.424 3.575 20 0 EHADRM CC(C)c1ncc(C(=O)O[C@H](C(=O)[O-])c2ccccc2Cl)s1 ZINC001592033630 976749035 /nfs/dbraw/zinc/74/90/35/976749035.db2.gz NWHYBNUJZCBSKM-LBPRGKRZSA-N -1 0 339.800 3.903 20 0 EHADRM CC(C)c1nnc(CNc2cc(Cl)c(F)c(C(=O)[O-])c2)s1 ZINC001592060687 976807097 /nfs/dbraw/zinc/80/70/97/976807097.db2.gz UUWLQWRSKOORSD-UHFFFAOYSA-N -1 0 329.784 3.764 20 0 EHADRM CC(C)c1nnc(SCC2(C(=O)[O-])CCCC2)n1Cc1ccco1 ZINC001592075930 976830640 /nfs/dbraw/zinc/83/06/40/976830640.db2.gz WAIZMCUKASYOOI-UHFFFAOYSA-N -1 0 349.456 3.780 20 0 EHADRM CC(C)c1oc(-c2ccccc2)nc1C(=O)OC1CC(CC(=O)[O-])C1 ZINC001592102851 976875245 /nfs/dbraw/zinc/87/52/45/976875245.db2.gz WWJOJYFUIGVQIX-UHFFFAOYSA-N -1 0 343.379 3.875 20 0 EHADRM CC(C)c1sc(NC(=O)c2ncsc2C2CC2)nc1C(=O)[O-] ZINC001592115253 976913638 /nfs/dbraw/zinc/91/36/38/976913638.db2.gz XUESUXIQFZXMIV-UHFFFAOYSA-N -1 0 337.426 3.551 20 0 EHADRM CC(C)n1ncc2cc(CNc3cc(F)cc(C(=O)[O-])c3F)cnc21 ZINC001592162661 977041479 /nfs/dbraw/zinc/04/14/79/977041479.db2.gz DTKMAHVANVLHIN-UHFFFAOYSA-N -1 0 346.337 3.601 20 0 EHADRM C[C@H](CC(=O)N(c1ccccc1C(=O)[O-])C1CCC1)c1ccncc1 ZINC001592227896 977427091 /nfs/dbraw/zinc/42/70/91/977427091.db2.gz USSZXDFGRKDXOD-CQSZACIVSA-N -1 0 338.407 3.859 20 0 EHADRM C[C@@H](CC(=O)N1C[C@@H](C(=O)[O-])Cc2ccccc21)C1CCCCC1 ZINC001592228157 977429155 /nfs/dbraw/zinc/42/91/55/977429155.db2.gz ZBFNTPJSXZFWMF-YOEHRIQHSA-N -1 0 329.440 3.883 20 0 EHADRM C[C@@H](CC(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1)c1ccc(F)cc1 ZINC001592246845 977476596 /nfs/dbraw/zinc/47/65/96/977476596.db2.gz XQETXJFYIJZUMW-ORAYPTAESA-N -1 0 335.419 3.859 20 0 EHADRM C[C@H](CC(=O)NCC(C)(C)CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC001592255092 977494375 /nfs/dbraw/zinc/49/43/75/977494375.db2.gz XNBTWPOZMKYICJ-LBPRGKRZSA-N -1 0 325.836 3.526 20 0 EHADRM C[C@H](CC(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1)CC(C)(C)C ZINC001592270490 977536897 /nfs/dbraw/zinc/53/68/97/977536897.db2.gz RQTLNUQLCYEXHZ-GFCCVEGCSA-N -1 0 331.416 3.522 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)Nc1cc(Cl)c(Cl)cc1F)C1CC1 ZINC001592289093 977604626 /nfs/dbraw/zinc/60/46/26/977604626.db2.gz DDDKNKKFFIPWCG-AWEZNQCLSA-N -1 0 349.189 3.897 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)Nc1ccc(CC(F)(F)F)cc1)C1CC1 ZINC001592297784 977640151 /nfs/dbraw/zinc/64/01/51/977640151.db2.gz OJAKAXKQWFSKPH-HNNXBMFYSA-N -1 0 344.333 3.556 20 0 EHADRM CC(F)(F)c1cccc(NC(=O)N2CCCCC[C@@H]2C(=O)[O-])c1 ZINC000654800571 1014416076 /nfs/dbraw/zinc/41/60/76/1014416076.db2.gz WVQAGQOUMNSOLE-CYBMUJFWSA-N -1 0 326.343 3.659 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)c1cc(C(F)(F)F)ccc1Cl)C1CC1 ZINC001592305181 977670382 /nfs/dbraw/zinc/67/03/82/977670382.db2.gz YARIHMKLXSXWJH-AWEZNQCLSA-N -1 0 349.736 3.732 20 0 EHADRM O=C([O-])c1ccc(Nc2c(F)cccc2CO)cc1C(F)(F)F ZINC001211489512 1014417332 /nfs/dbraw/zinc/41/73/32/1014417332.db2.gz AUPPDROXEPKYCE-UHFFFAOYSA-N -1 0 329.249 3.779 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)Nc1cccc(CCCc2ccccc2)c1 ZINC001592362054 977855421 /nfs/dbraw/zinc/85/54/21/977855421.db2.gz VUNQJGVKGJLHQM-OAHLLOKOSA-N -1 0 325.408 3.911 20 0 EHADRM CSc1ccc(-c2csc(NC(=O)C3(C(=O)[O-])CCC3)n2)cc1 ZINC000654820988 1014447660 /nfs/dbraw/zinc/44/76/60/1014447660.db2.gz OYLUOTOQIYFNBA-UHFFFAOYSA-N -1 0 348.449 3.725 20 0 EHADRM CC1(C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)CC(F)(F)C1 ZINC000720468492 978034607 /nfs/dbraw/zinc/03/46/07/978034607.db2.gz YLZAJIZAIZVXEV-UHFFFAOYSA-N -1 0 348.143 3.521 20 0 EHADRM C[C@H](CC(=O)[O-])c1nc(-c2ccc(Oc3cccnc3)cc2)no1 ZINC001592423804 978041855 /nfs/dbraw/zinc/04/18/55/978041855.db2.gz HKWFSDFDKKUMKK-LLVKDONJSA-N -1 0 325.324 3.502 20 0 EHADRM C[C@H](CC(=O)[O-])c1nc(COc2cccc(Cl)c2Cl)no1 ZINC001592424402 978045686 /nfs/dbraw/zinc/04/56/86/978045686.db2.gz RCBKQUKYXNIYQY-SSDOTTSWSA-N -1 0 331.155 3.534 20 0 EHADRM C[C@@H](CC(=O)Oc1ccc(CC(=O)[O-])cc1)c1ccc(F)cc1F ZINC001592434114 978072220 /nfs/dbraw/zinc/07/22/20/978072220.db2.gz SXFBBIBJJFJDSM-NSHDSACASA-N -1 0 334.318 3.691 20 0 EHADRM C[C@H](CC(C)(C)C)NC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001592444899 978106672 /nfs/dbraw/zinc/10/66/72/978106672.db2.gz SSXKULWBERAKFN-SECBINFHSA-N -1 0 342.233 3.702 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC001592453227 978152021 /nfs/dbraw/zinc/15/20/21/978152021.db2.gz PCZCTAHUPPBPDE-OAHLLOKOSA-N -1 0 343.467 3.894 20 0 EHADRM C[C@@H](CC1CCC1)NC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001592459513 978178925 /nfs/dbraw/zinc/17/89/25/978178925.db2.gz MQAONYANWTUJGZ-QMMMGPOBSA-N -1 0 328.771 3.878 20 0 EHADRM C[C@@H](CC1CCC1)NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001592460641 978184819 /nfs/dbraw/zinc/18/48/19/978184819.db2.gz XFKRTUPSZPEWOM-BBRMVZONSA-N -1 0 332.444 3.716 20 0 EHADRM C[C@@H](CC1CCCCC1)C(=O)N1C[C@H](C(=O)[O-])Oc2cc(F)ccc21 ZINC001592465290 978206004 /nfs/dbraw/zinc/20/60/04/978206004.db2.gz CUOQOMDANJWCPM-YVEFUNNKSA-N -1 0 349.402 3.611 20 0 EHADRM C[C@H](CCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-])c1ccccc1 ZINC001592470347 978220848 /nfs/dbraw/zinc/22/08/48/978220848.db2.gz KDQPRTXCFBFXNU-KDOFPFPSSA-N -1 0 343.398 3.522 20 0 EHADRM C[C@@H](CCC(=O)N(CC(=O)[O-])c1cccc(F)c1)c1ccccc1 ZINC001592471927 978234580 /nfs/dbraw/zinc/23/45/80/978234580.db2.gz WYWFXDAPFLFXIM-AWEZNQCLSA-N -1 0 329.371 3.827 20 0 EHADRM CC(C)[C@H](OC(=O)CCc1nc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000736390349 978328250 /nfs/dbraw/zinc/32/82/50/978328250.db2.gz OAHQVWJIJYTNJI-AWEZNQCLSA-N -1 0 341.816 3.535 20 0 EHADRM C[C@@H](CCN1CCc2ccc(C(=O)[O-])cc21)OCc1ccccc1 ZINC001592512603 978336515 /nfs/dbraw/zinc/33/65/15/978336515.db2.gz ADCLGWIDDUFLGA-HNNXBMFYSA-N -1 0 325.408 3.743 20 0 EHADRM C[C@H](CS[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000736616031 978345692 /nfs/dbraw/zinc/34/56/92/978345692.db2.gz IMPRDWQWBLJWFR-SFYZADRCSA-N -1 0 336.240 3.774 20 0 EHADRM C[C@@H](CCN1C[C@@H](C(=O)[O-])Oc2cc(F)ccc21)c1ccccc1 ZINC001592513811 978349992 /nfs/dbraw/zinc/34/99/92/978349992.db2.gz KNKFZLMCXMXEDC-UGSOOPFHSA-N -1 0 329.371 3.672 20 0 EHADRM CCC[C@](C)(NC(=O)[C@H](C)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000736953771 978369302 /nfs/dbraw/zinc/36/93/02/978369302.db2.gz DDRAHPQYXILGDW-PSLIRLAXSA-N -1 0 332.227 3.857 20 0 EHADRM C[C@H](CCc1ccco1)Nc1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001592552320 978438957 /nfs/dbraw/zinc/43/89/57/978438957.db2.gz USWDJABDHFQUPJ-SECBINFHSA-N -1 0 328.290 3.825 20 0 EHADRM C[C@@H](CN(C)C(=O)CCCCc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001592567939 978460184 /nfs/dbraw/zinc/46/01/84/978460184.db2.gz CSFCHOWGCMQKTE-HNNXBMFYSA-N -1 0 333.472 3.876 20 0 EHADRM COc1ccc2cc(C(=O)Nc3cc(Cl)cc(C(=O)[O-])c3)[nH]c2c1 ZINC000738078994 978473476 /nfs/dbraw/zinc/47/34/76/978473476.db2.gz DMWNUYCFKIOOOV-UHFFFAOYSA-N -1 0 344.754 3.780 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)OCC1CCCCC1)C(=O)[O-] ZINC001592605527 978551995 /nfs/dbraw/zinc/55/19/95/978551995.db2.gz MACSSTBUFAJPAX-HNNXBMFYSA-N -1 0 333.428 3.926 20 0 EHADRM Cc1ccc(OC(=O)CCCOc2ccc(F)cc2)c(C(=O)[O-])c1 ZINC000738639997 978579548 /nfs/dbraw/zinc/57/95/48/978579548.db2.gz LUDWYHUWGHXAJN-UHFFFAOYSA-N -1 0 332.327 3.597 20 0 EHADRM Cc1csc([C@H](C)NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)n1 ZINC000738817347 978603570 /nfs/dbraw/zinc/60/35/70/978603570.db2.gz ZABDRKUGAIXPPJ-QMMMGPOBSA-N -1 0 338.364 3.563 20 0 EHADRM C[C@](CNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12)(C(=O)[O-])c1ccccc1 ZINC001592647770 978628770 /nfs/dbraw/zinc/62/87/70/978628770.db2.gz OTMQENTUUNNRSZ-NWUWZPLHSA-N -1 0 343.467 3.752 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)/C=C(\C)c1cccc(C(F)(F)F)c1 ZINC000746692876 978685598 /nfs/dbraw/zinc/68/55/98/978685598.db2.gz DVKPZRRFBBLCQR-OBIHZWKSSA-N -1 0 343.345 3.820 20 0 EHADRM O=C([O-])c1cnc(/C=C\c2cccc(NC(=O)C(F)(F)F)c2)s1 ZINC000749359067 978688891 /nfs/dbraw/zinc/68/88/91/978688891.db2.gz YDHFPCUDSMNYDO-PLNGDYQASA-N -1 0 342.298 3.513 20 0 EHADRM CCCC[C@H](NC(=O)/C=C(/C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000753907476 978694639 /nfs/dbraw/zinc/69/46/39/978694639.db2.gz VKEHPIVDLNLGQT-BMSUMIBZSA-N -1 0 343.345 3.868 20 0 EHADRM CCCCC[C@H](NC(=O)CCc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000761846842 978715794 /nfs/dbraw/zinc/71/57/94/978715794.db2.gz QQHARDQHLZDYOG-AWEZNQCLSA-N -1 0 345.361 3.788 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)[C@@H](C)Cc2ccc(F)cc2)cc1)C(=O)[O-] ZINC000762182150 978717930 /nfs/dbraw/zinc/71/79/30/978717930.db2.gz DARDOCHYZBZPDN-UONOGXRCSA-N -1 0 343.398 3.906 20 0 EHADRM O=C([O-])c1cccc(CC(=O)NC(C2CCCC2)C2CCCC2)c1 ZINC000762287562 978720055 /nfs/dbraw/zinc/72/00/55/978720055.db2.gz MPKYCIYEDQHXRP-UHFFFAOYSA-N -1 0 329.440 3.793 20 0 EHADRM C/C(=C\C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1)c1ccc(F)cc1 ZINC000766827890 978725655 /nfs/dbraw/zinc/72/56/55/978725655.db2.gz CXSMAUGJZJJLDT-DPCFLFMUSA-N -1 0 345.345 3.700 20 0 EHADRM CCc1ccc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])s1 ZINC000766899027 978728838 /nfs/dbraw/zinc/72/88/38/978728838.db2.gz OLQWSHOPABNABF-CYBMUJFWSA-N -1 0 331.437 3.674 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCN2C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000779428882 978783361 /nfs/dbraw/zinc/78/33/61/978783361.db2.gz JFSRQBNLXSZBML-CABCVRRESA-N -1 0 329.440 3.764 20 0 EHADRM O=C([O-])CCCC(=O)Nc1cc(Cl)ccc1OCC1CCC1 ZINC000786042616 978795207 /nfs/dbraw/zinc/79/52/07/978795207.db2.gz PIAIVLSCIDNYAP-UHFFFAOYSA-N -1 0 325.792 3.712 20 0 EHADRM C[C@H]1Cc2ccccc2N(C(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000811819930 978863824 /nfs/dbraw/zinc/86/38/24/978863824.db2.gz JXIVTBZFJLBDHZ-NSHDSACASA-N -1 0 329.783 3.877 20 0 EHADRM Cc1ccccc1C[C@@H](C)NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811819843 978863921 /nfs/dbraw/zinc/86/39/21/978863921.db2.gz IKFYVAZHYHGGLU-GFCCVEGCSA-N -1 0 331.799 3.708 20 0 EHADRM CCS[C@H]1CC[C@@H](N(C)C(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000811820985 978864763 /nfs/dbraw/zinc/86/47/63/978864763.db2.gz RQFJKTPKIAFDRV-NEPJUHHUSA-N -1 0 341.860 3.784 20 0 EHADRM Cc1cc(C)c(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)c(C)c1 ZINC000818787016 978922970 /nfs/dbraw/zinc/92/29/70/978922970.db2.gz YNMVTHPKJBUWGI-UHFFFAOYSA-N -1 0 336.391 3.903 20 0 EHADRM CCS[C@H](C)c1noc(CNc2cc(Cl)cc(C(=O)[O-])c2)n1 ZINC000830150433 979014122 /nfs/dbraw/zinc/01/41/22/979014122.db2.gz ONHIHNMICWFRTR-MRVPVSSYSA-N -1 0 341.820 3.847 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])c2ccccc12)c1ccccn1 ZINC001592674384 979084480 /nfs/dbraw/zinc/08/44/80/979084480.db2.gz HZDPBLMTGPDBDL-ZDUSSCGKSA-N -1 0 349.390 3.858 20 0 EHADRM CC[C@@H](CC(=O)Nc1nc(C)c(C(=O)[O-])s1)c1ccc(OC)cc1 ZINC001595037305 979205893 /nfs/dbraw/zinc/20/58/93/979205893.db2.gz YIGPLDJNNPYMFJ-NSHDSACASA-N -1 0 348.424 3.681 20 0 EHADRM CC[C@@H](CC(F)(F)F)C(=O)N[C@@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC001595038263 979207593 /nfs/dbraw/zinc/20/75/93/979207593.db2.gz FNVUQQXKMJKFET-BONVTDFDSA-N -1 0 349.324 3.610 20 0 EHADRM CCCCCC[C@@H](CC)C(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000836750926 979254681 /nfs/dbraw/zinc/25/46/81/979254681.db2.gz MKGVXDGZMUGXHQ-IUODEOHRSA-N -1 0 337.382 3.849 20 0 EHADRM CC(C)c1nn(C)c(Cl)c1C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000840944577 979283817 /nfs/dbraw/zinc/28/38/17/979283817.db2.gz FOFFVZBPDNPDFG-JTQLQIEISA-N -1 0 349.818 3.637 20 0 EHADRM CCC(CC)(CNC(=O)C(C)(C)c1cccc(Cl)c1F)C(=O)[O-] ZINC001595064928 979329055 /nfs/dbraw/zinc/32/90/55/979329055.db2.gz YAHPAWCQBFJZSX-UHFFFAOYSA-N -1 0 343.826 3.764 20 0 EHADRM CCC(CC)(CNC(=O)c1ccnc(SC(C)(C)C)c1)C(=O)[O-] ZINC001595076397 979349073 /nfs/dbraw/zinc/34/90/73/979349073.db2.gz CKSGIJMTEXREPA-UHFFFAOYSA-N -1 0 338.473 3.593 20 0 EHADRM C[C@](COC(=O)CC[C@H]1CC1(Cl)Cl)(C(=O)[O-])c1ccccc1 ZINC001592764435 979366131 /nfs/dbraw/zinc/36/61/31/979366131.db2.gz KRKICXVHQUJHIE-SWLSCSKDSA-N -1 0 345.222 3.546 20 0 EHADRM Cc1ccc(SCC(F)(F)F)c(NC(=O)CCCC(=O)[O-])c1 ZINC000844249380 979394018 /nfs/dbraw/zinc/39/40/18/979394018.db2.gz NXFHGDPBZSOOGM-UHFFFAOYSA-N -1 0 335.347 3.843 20 0 EHADRM Cc1cnc(CN(CC(=O)[O-])Cc2ccc(C(F)(F)F)cc2)s1 ZINC000846267678 979435080 /nfs/dbraw/zinc/43/50/80/979435080.db2.gz CIYVEUJYFWHAQE-UHFFFAOYSA-N -1 0 344.358 3.557 20 0 EHADRM CCC(CC)CC(=O)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001595109458 979441986 /nfs/dbraw/zinc/44/19/86/979441986.db2.gz BJADIPRQYFYCFX-CQSZACIVSA-N -1 0 331.334 3.774 20 0 EHADRM CCC(CC)[C@@H](NC(=S)NCCCC(=O)[O-])c1cccs1 ZINC001595109606 979443883 /nfs/dbraw/zinc/44/38/83/979443883.db2.gz KEGZXWFOXRJGMZ-CQSZACIVSA-N -1 0 328.503 3.554 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)o1 ZINC000851593855 979503688 /nfs/dbraw/zinc/50/36/88/979503688.db2.gz DVOKMZWGDMJJOS-PIFBBDKHSA-N -1 0 339.391 3.519 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)c1ccc(/C=C/C(=O)[O-])o1)C(C)C ZINC000851594202 979505377 /nfs/dbraw/zinc/50/53/77/979505377.db2.gz HSPOWXDSBJYLSG-SXAWMYDMSA-N -1 0 327.380 3.813 20 0 EHADRM CCC(CC)n1ccc(CN2CCc3cc(C(=O)[O-])ccc3C2)n1 ZINC001595124976 979507643 /nfs/dbraw/zinc/50/76/43/979507643.db2.gz XKVHTSLPESWTHT-UHFFFAOYSA-N -1 0 327.428 3.501 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1ccc(/C=C/C(=O)[O-])o1)c1ccccc1 ZINC000851595897 979509946 /nfs/dbraw/zinc/50/99/46/979509946.db2.gz RIUQVFRYHXNBEH-JICACKBISA-N -1 0 327.380 3.895 20 0 EHADRM Cc1ccc(C[C@@H]2CCCN2C(=O)c2ccc(/C=C\C(=O)[O-])o2)cc1 ZINC000851597241 979512763 /nfs/dbraw/zinc/51/27/63/979512763.db2.gz WFHSDSHUJZHIDZ-SLWQEBJJSA-N -1 0 339.391 3.533 20 0 EHADRM C[C@@H](CSCc1ccccc1)C(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC001592825881 979547071 /nfs/dbraw/zinc/54/70/71/979547071.db2.gz MNNSYWSYXMWJMK-YOEHRIQHSA-N -1 0 349.496 3.706 20 0 EHADRM C[C@H](CSc1ccccc1)N(C)C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001592832973 979566902 /nfs/dbraw/zinc/56/69/02/979566902.db2.gz YRRGMQVGWDYORE-MMQHEFTJSA-N -1 0 345.420 3.630 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]2c2ccccc2)c2ccccc21 ZINC000852953136 979588530 /nfs/dbraw/zinc/58/85/30/979588530.db2.gz DQJURVJKDVXFLZ-QLIIJSOBSA-N -1 0 349.430 4.000 20 0 EHADRM C[C@](Cc1ccc(Cl)cc1)(NC(=O)[C@H]1CC2CCC1CC2)C(=O)[O-] ZINC001592838933 979593016 /nfs/dbraw/zinc/59/30/16/979593016.db2.gz SDNQGHWQXZUBJW-BWUWDWKUSA-N -1 0 349.858 3.668 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1 ZINC000856723235 979610808 /nfs/dbraw/zinc/61/08/08/979610808.db2.gz ZLVZWVZPHULDNH-GFCCVEGCSA-N -1 0 345.370 3.882 20 0 EHADRM COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000471122054 1014590405 /nfs/dbraw/zinc/59/04/05/1014590405.db2.gz VRIAWJULCKKRON-UHFFFAOYSA-N -1 0 349.358 3.927 20 0 EHADRM CC[C@@](CNC(=O)Nc1ccc(Cl)cc1)(C(=O)[O-])c1ccccc1 ZINC001595153755 979655623 /nfs/dbraw/zinc/65/56/23/979655623.db2.gz GPLBHPODFVNHQV-SFHVURJKSA-N -1 0 346.814 3.894 20 0 EHADRM CC[C@](CNC(=O)Nc1ccccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001595155213 979664016 /nfs/dbraw/zinc/66/40/16/979664016.db2.gz YMGGKYMADNEREA-GOSISDBHSA-N -1 0 346.814 3.894 20 0 EHADRM CC(C)[C@@H](NC(=O)Cc1coc2c1ccc(Cl)c2Cl)C(=O)[O-] ZINC000864098043 979679155 /nfs/dbraw/zinc/67/91/55/979679155.db2.gz AQTWHNOTOQHWLO-CYBMUJFWSA-N -1 0 344.194 3.508 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)CCc2cccnc2Cl)cc1)C(=O)[O-] ZINC001592859779 979683309 /nfs/dbraw/zinc/68/33/09/979683309.db2.gz WLKHATIJNRWZKC-GFCCVEGCSA-N -1 0 346.814 3.570 20 0 EHADRM CC[C@@](CNC(=O)c1ccc(Cl)cc1F)(C(=O)[O-])c1ccccc1 ZINC001595160785 979687795 /nfs/dbraw/zinc/68/77/95/979687795.db2.gz RARMLIVUOWDAIX-SFHVURJKSA-N -1 0 349.789 3.642 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)/C=C\c2ccc(C(=O)[O-])o2)c1C ZINC000864111555 979702638 /nfs/dbraw/zinc/70/26/38/979702638.db2.gz HMHQNOFCBHWOQR-FPISAVPCSA-N -1 0 339.391 3.972 20 0 EHADRM C[C@@H]1CN(C(=O)/C=C\c2cc(C(=O)[O-])co2)CC[C@H]1c1ccccc1 ZINC000864112569 979704221 /nfs/dbraw/zinc/70/42/21/979704221.db2.gz DRCFURGJIXIVSW-IEHAEYMASA-N -1 0 339.391 3.643 20 0 EHADRM C[C@@H]1CN(C(=O)/C=C\c2cc(C(=O)[O-])co2)CC[C@@H]1c1ccccc1 ZINC000864112570 979704488 /nfs/dbraw/zinc/70/44/88/979704488.db2.gz DRCFURGJIXIVSW-OANZSSJVSA-N -1 0 339.391 3.643 20 0 EHADRM CC1(C)Cc2ccc(C(=O)Nc3cccc(CCC(=O)[O-])c3)cc2O1 ZINC000864134884 979736728 /nfs/dbraw/zinc/73/67/28/979736728.db2.gz FCMMHKMJOYUZRX-UHFFFAOYSA-N -1 0 339.391 3.670 20 0 EHADRM Cc1cc2c(CC(=O)NC3(CC(=O)[O-])CCCC3)csc2s1 ZINC000864142645 979747788 /nfs/dbraw/zinc/74/77/88/979747788.db2.gz MJGZQKDOFHERRK-UHFFFAOYSA-N -1 0 337.466 3.717 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC001592885817 979771837 /nfs/dbraw/zinc/77/18/37/979771837.db2.gz TXHJGRUCNPQOFG-DYVFJYSZSA-N -1 0 335.419 3.544 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC001592885951 979772332 /nfs/dbraw/zinc/77/23/32/979772332.db2.gz UWTXCDZCNBSOLK-SNVBAGLBSA-N -1 0 336.746 3.962 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC001592892287 979791094 /nfs/dbraw/zinc/79/10/94/979791094.db2.gz ZFNSVKWUHWSGBN-LBPRGKRZSA-N -1 0 343.810 3.806 20 0 EHADRM C[C@H](Cc1ccco1)NC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001592899848 979816592 /nfs/dbraw/zinc/81/65/92/979816592.db2.gz KQVPHNWNDLJWGG-GFCCVEGCSA-N -1 0 338.363 3.884 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2ccc(F)cc2F)C1 ZINC000864179239 979825485 /nfs/dbraw/zinc/82/54/85/979825485.db2.gz RUYXQNGSAHHNCH-HWWQOWPSSA-N -1 0 337.366 3.519 20 0 EHADRM C[C@@H](Cc1ccsc1)NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001592906801 979849342 /nfs/dbraw/zinc/84/93/42/979849342.db2.gz ONZJYKPPLCTWGD-KNXALSJPSA-N -1 0 344.436 3.689 20 0 EHADRM C[C@H](C(=O)N[C@@](C)(CC(=O)[O-])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000864200014 979875172 /nfs/dbraw/zinc/87/51/72/979875172.db2.gz PASWZLJANUWLFU-FVMDXXJSSA-N -1 0 344.238 3.857 20 0 EHADRM C/C(Cl)=C\C(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC001592918849 979910716 /nfs/dbraw/zinc/91/07/16/979910716.db2.gz RQZWERXWYISXNL-ZZXKWVIFSA-N -1 0 332.581 3.537 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000864227069 979914897 /nfs/dbraw/zinc/91/48/97/979914897.db2.gz USPCHNSZRMKZAQ-CFVMTHIKSA-N -1 0 341.432 3.765 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)[C@H]2CCCc3ccccc32)c1 ZINC000864228407 979919854 /nfs/dbraw/zinc/91/98/54/979919854.db2.gz DAGLEHPLPZMCBE-OALUTQOASA-N -1 0 337.419 3.747 20 0 EHADRM COc1ccccc1[C@H]1CCCN(C(=O)CC(C)(C)CC(=O)[O-])CC1 ZINC000864228606 979920588 /nfs/dbraw/zinc/92/05/88/979920588.db2.gz QBYDWJFCEPICNE-HNNXBMFYSA-N -1 0 347.455 3.682 20 0 EHADRM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001595205641 979980939 /nfs/dbraw/zinc/98/09/39/979980939.db2.gz XAGGWPOVTCISES-CYBMUJFWSA-N -1 0 347.802 3.576 20 0 EHADRM CC[C@H](Cc1ccc(F)cc1)NC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001595212224 979997740 /nfs/dbraw/zinc/99/77/40/979997740.db2.gz MYXYPRXPUJQHMZ-MRXNPFEDSA-N -1 0 344.386 3.975 20 0 EHADRM CC(F)(F)CC(=O)O[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001592936463 980001495 /nfs/dbraw/zinc/00/14/95/980001495.db2.gz XTJPPTORMVTICF-JTQLQIEISA-N -1 0 327.110 3.708 20 0 EHADRM CC(F)(F)c1cc(F)ccc1NC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001592943670 980015983 /nfs/dbraw/zinc/01/59/83/980015983.db2.gz MNLNBWODTLVMOF-UHFFFAOYSA-N -1 0 337.297 3.817 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC001595218687 980034473 /nfs/dbraw/zinc/03/44/73/980034473.db2.gz KOSXDDYXDGUXIM-MRXNPFEDSA-N -1 0 331.456 3.810 20 0 EHADRM CC[C@](NC(=O)C1C(C)(C)C1(C)C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595236549 980136915 /nfs/dbraw/zinc/13/69/15/980136915.db2.gz HXWWKKIDZZLEHH-GOSISDBHSA-N -1 0 337.847 3.828 20 0 EHADRM CC[C@H](NC(=O)/C=C\c1cc(C(=O)[O-])co1)C(C)(C)c1ccccc1 ZINC001595237490 980146005 /nfs/dbraw/zinc/14/60/05/980146005.db2.gz JMSWYCSFXPFQMT-MQNTZWLQSA-N -1 0 341.407 3.864 20 0 EHADRM CC[C@](NC(=O)[C@H]1CCCC12CC2)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595237875 980151652 /nfs/dbraw/zinc/15/16/52/980151652.db2.gz YCJRDSGKJXWFAP-RDTXWAMCSA-N -1 0 335.831 3.726 20 0 EHADRM CC[C@](NC(=O)Cc1ccc(C)cc1Cl)(C(=O)[O-])c1ccccc1 ZINC001595242620 980167132 /nfs/dbraw/zinc/16/71/32/980167132.db2.gz CWQRANAPSJDEDY-LJQANCHMSA-N -1 0 345.826 3.697 20 0 EHADRM C[C@@H](C(=O)N[C@@H](C)[C@@H](Cc1ccccc1)C(=O)[O-])[C@@H](C)C(C)(C)C ZINC001592990579 980180493 /nfs/dbraw/zinc/18/04/93/980180493.db2.gz RCKHUWXSGFFXFC-PNBKFKSVSA-N -1 0 333.472 3.753 20 0 EHADRM CC[C@H](NC(=O)NCc1cc(C(=O)[O-])co1)c1cccc(Cl)c1 ZINC001595253729 980235301 /nfs/dbraw/zinc/23/53/01/980235301.db2.gz ZDDOGLBJOAXHEW-AWEZNQCLSA-N -1 0 336.775 3.582 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1)c1ccncc1 ZINC001595256573 980237944 /nfs/dbraw/zinc/23/79/44/980237944.db2.gz CNALIFSDHMRDRH-DYVFJYSZSA-N -1 0 341.411 3.618 20 0 EHADRM CC[C@@H](NC(=O)c1cc(C)cc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC001595264958 980272900 /nfs/dbraw/zinc/27/29/00/980272900.db2.gz FWQQOAXINGPFGK-MRXNPFEDSA-N -1 0 333.334 3.853 20 0 EHADRM COc1ccc(NCc2ccc(/C=C\C(=O)[O-])o2)cc1OC(C)C ZINC000901451308 980293809 /nfs/dbraw/zinc/29/38/09/980293809.db2.gz RDRBTUJNKNTCAB-CLFYSBASSA-N -1 0 331.368 3.785 20 0 EHADRM CC[C@H](N[C@H](C)c1ncc(C(=O)[O-])s1)c1ccc2c(c1)CCO2 ZINC001595281839 980339370 /nfs/dbraw/zinc/33/93/70/980339370.db2.gz SZJFZQVEOYSNQG-MFKMUULPSA-N -1 0 332.425 3.578 20 0 EHADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1cscc1Cl ZINC000901569292 980386008 /nfs/dbraw/zinc/38/60/08/980386008.db2.gz IXVNHPUCDKZFSJ-GFCCVEGCSA-N -1 0 337.828 3.607 20 0 EHADRM COC[C@H](C)Oc1ccc(CNc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000901638736 980420014 /nfs/dbraw/zinc/42/00/14/980420014.db2.gz GDZCRGVAHWLKBS-HNNXBMFYSA-N -1 0 343.423 3.730 20 0 EHADRM CCn1nc(CN[C@](CC)(C(=O)[O-])c2ccccc2)c2ccccc21 ZINC000901651583 980429190 /nfs/dbraw/zinc/42/91/90/980429190.db2.gz OLWNFEVRLNQHBT-FQEVSTJZSA-N -1 0 337.423 3.536 20 0 EHADRM CCn1nc(CN[C@@](CC)(C(=O)[O-])c2ccccc2)c2ccccc21 ZINC000901651585 980429322 /nfs/dbraw/zinc/42/93/22/980429322.db2.gz OLWNFEVRLNQHBT-HXUWFJFHSA-N -1 0 337.423 3.536 20 0 EHADRM CC[C@H](NCc1occc1C(=O)[O-])c1ccccc1OC(F)F ZINC001595305855 980452008 /nfs/dbraw/zinc/45/20/08/980452008.db2.gz OAXRGRVUJVZYOB-LBPRGKRZSA-N -1 0 325.311 3.820 20 0 EHADRM COCc1cc(NCc2cnc(C(C)(C)C)s2)cc(C(=O)[O-])c1 ZINC000901740017 980472808 /nfs/dbraw/zinc/47/28/08/980472808.db2.gz XHSCGAXMANSMQU-UHFFFAOYSA-N -1 0 334.441 3.897 20 0 EHADRM Cn1cc(CNCc2ccc(C(=O)[O-])cc2F)c(C2CCCCC2)n1 ZINC000901754095 980483733 /nfs/dbraw/zinc/48/37/33/980483733.db2.gz ALAVFDVYXADUER-UHFFFAOYSA-N -1 0 345.418 3.595 20 0 EHADRM CC[C@@H](Nc1cc(CC(=O)[O-])ccn1)c1nc(C(F)(F)F)cs1 ZINC001595317488 980493812 /nfs/dbraw/zinc/49/38/12/980493812.db2.gz WFAKYBUKGLXRBG-SECBINFHSA-N -1 0 345.346 3.747 20 0 EHADRM CC[C@@H](Nc1nc(Cl)c(C(=O)[O-])s1)c1nc2ccccc2[nH]1 ZINC001595322647 980515456 /nfs/dbraw/zinc/51/54/56/980515456.db2.gz GFFSJHGDACUSFM-SSDOTTSWSA-N -1 0 336.804 3.934 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)Nc1cccc2c1CCO2)C1CCCCC1 ZINC000530476051 1014667790 /nfs/dbraw/zinc/66/77/90/1014667790.db2.gz KTCVJCZRUJDHLL-IBGZPJMESA-N -1 0 331.412 3.621 20 0 EHADRM C[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000901877903 980592780 /nfs/dbraw/zinc/59/27/80/980592780.db2.gz XJWLXFJLFULQNT-DZGCQCFKSA-N -1 0 346.496 3.862 20 0 EHADRM COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000471132089 1014669469 /nfs/dbraw/zinc/66/94/69/1014669469.db2.gz GVFMBWBIHYSGDR-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM CC[C@@H](OC(=O)c1ccc(Oc2ccccc2F)nc1)[C@H](C)C(=O)[O-] ZINC001595352283 980667605 /nfs/dbraw/zinc/66/76/05/980667605.db2.gz VZDUOAIRKLJJDD-SMDDNHRTSA-N -1 0 347.342 3.669 20 0 EHADRM CC[C@@H](OC(=O)c1sc(-c2ccc(C)cc2C)nc1C)C(=O)[O-] ZINC001595353914 980686529 /nfs/dbraw/zinc/68/65/29/980686529.db2.gz LYFBUJZYTCUUHR-CYBMUJFWSA-N -1 0 333.409 3.755 20 0 EHADRM CCc1oc(CNc2ccc(NC(=O)C3CC3)cc2)cc1C(=O)[O-] ZINC000902087831 980726927 /nfs/dbraw/zinc/72/69/27/980726927.db2.gz FAWWRLLJQBATFP-UHFFFAOYSA-N -1 0 328.368 3.501 20 0 EHADRM CC(C)(CCNc1cccc(NC(=O)c2cccs2)c1)C(=O)[O-] ZINC000902092675 980729982 /nfs/dbraw/zinc/72/99/82/980729982.db2.gz ZYKUHUVBTQYTII-UHFFFAOYSA-N -1 0 332.425 3.913 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC001595358453 980732327 /nfs/dbraw/zinc/73/23/27/980732327.db2.gz KLTKXJNYYIAYSR-CVEARBPZSA-N -1 0 335.469 3.707 20 0 EHADRM CC[C@@H](c1ccccc1)N(C(=O)c1csc(C(=O)[O-])n1)C(C)C ZINC001595359576 980743152 /nfs/dbraw/zinc/74/31/52/980743152.db2.gz DTJVPMVGQLTLFB-AWEZNQCLSA-N -1 0 332.425 3.843 20 0 EHADRM CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001595359663 980743651 /nfs/dbraw/zinc/74/36/51/980743651.db2.gz GUOLBQKXDNJGEP-OAHLLOKOSA-N -1 0 344.411 3.562 20 0 EHADRM CC[C@@H](c1ccc(F)cc1)S(=O)(=O)Cc1csc(C(=O)[O-])c1 ZINC001595359999 980747137 /nfs/dbraw/zinc/74/71/37/980747137.db2.gz PHMOGVMRSODNCD-AWEZNQCLSA-N -1 0 342.413 3.652 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1csc(C2CC2)n1 ZINC001595360775 980755207 /nfs/dbraw/zinc/75/52/07/980755207.db2.gz OZLUPDZYBWBFGX-HNNXBMFYSA-N -1 0 344.436 3.699 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)CCc1ccccc1C ZINC001595361596 980763641 /nfs/dbraw/zinc/76/36/41/980763641.db2.gz KCNRLDVNPFKJNX-LJQANCHMSA-N -1 0 339.435 3.992 20 0 EHADRM CCc1oc(CN[C@H]2CCCOc3ccc(F)cc32)cc1C(=O)[O-] ZINC000902177092 980769991 /nfs/dbraw/zinc/76/99/91/980769991.db2.gz NPITXEZRTDGBNJ-HNNXBMFYSA-N -1 0 333.359 3.683 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1ccsc1C(=O)OC ZINC001595362927 980776722 /nfs/dbraw/zinc/77/67/22/980776722.db2.gz UAOVCVICPZZFKU-OAHLLOKOSA-N -1 0 347.436 3.573 20 0 EHADRM O=C([O-])c1ccc(CNc2ccccc2O[C@@H]2CCOC2)cc1Cl ZINC000902340182 980839943 /nfs/dbraw/zinc/83/99/43/980839943.db2.gz YJQXBEINPXZZLR-CYBMUJFWSA-N -1 0 347.798 3.818 20 0 EHADRM CC[C@]1(C)CN(C(=O)Nc2cccc3cc(C(=O)[O-])sc32)CCO1 ZINC001595370183 980840301 /nfs/dbraw/zinc/84/03/01/980840301.db2.gz DREJHAZVCZOZNA-QGZVFWFLSA-N -1 0 348.424 3.632 20 0 EHADRM Cc1ccccc1[C@]1(F)CCN(Cc2ccc(/C=C/C(=O)[O-])o2)C1 ZINC000902453562 980894896 /nfs/dbraw/zinc/89/48/96/980894896.db2.gz RYTLEPGFKMQFKK-SGQUHAKNSA-N -1 0 329.371 3.757 20 0 EHADRM CC[C@@H]1C[C@H](C(=O)Oc2cccc3c(CC(=O)[O-])cccc23)CCO1 ZINC001595408934 981003617 /nfs/dbraw/zinc/00/36/17/981003617.db2.gz PFYUFGWVNCDTDG-HUUCEWRRSA-N -1 0 342.391 3.578 20 0 EHADRM CC[C@H]1C[C@@H](CC(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)CCO1 ZINC001595412280 981009607 /nfs/dbraw/zinc/00/96/07/981009607.db2.gz BRHVSSQDSHTEBN-ZFWWWQNUSA-N -1 0 334.412 3.550 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC001595439235 981074380 /nfs/dbraw/zinc/07/43/80/981074380.db2.gz CSGDXQQVDDBZGD-KURKYZTESA-N -1 0 331.456 3.795 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001595440144 981076010 /nfs/dbraw/zinc/07/60/10/981076010.db2.gz HIBMRTQQONQNDG-BZZMCLGOSA-N -1 0 329.440 3.530 20 0 EHADRM CC[C@@H]1CCCC[C@H]1C(=O)Nc1cc(C(F)(F)F)cnc1C(=O)[O-] ZINC001595441241 981078875 /nfs/dbraw/zinc/07/88/75/981078875.db2.gz OWDKDDQSXCENSV-MWLCHTKSSA-N -1 0 344.333 3.954 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1C(=O)N[C@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001595441266 981079476 /nfs/dbraw/zinc/07/94/76/981079476.db2.gz PHJZVGCYZUOZTG-NRSFXHEJSA-N -1 0 331.456 3.651 20 0 EHADRM CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001595443833 981083992 /nfs/dbraw/zinc/08/39/92/981083992.db2.gz CIUGLZDGTLKZFE-GXTWGEPZSA-N -1 0 333.432 3.541 20 0 EHADRM Cc1cccnc1[C@H](NCc1ccc(/C=C/C(=O)[O-])o1)C(C)(C)C ZINC000905798767 981156713 /nfs/dbraw/zinc/15/67/13/981156713.db2.gz OFROKAQTIXKAHR-BBVFFXRHSA-N -1 0 328.412 3.958 20 0 EHADRM CC[C@H]1CCc2ccccc2N1C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001595467923 981156951 /nfs/dbraw/zinc/15/69/51/981156951.db2.gz JJSIKPVQROJRHC-FEAKQIBJSA-N -1 0 325.364 3.749 20 0 EHADRM CC[C@@H]1CN([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)C[C@@H](CC)O1 ZINC001595482953 981210067 /nfs/dbraw/zinc/21/00/67/981210067.db2.gz JADQLZOIAXBVBH-LALPHHSUSA-N -1 0 345.361 3.721 20 0 EHADRM CC[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CCCO1 ZINC001595484527 981222688 /nfs/dbraw/zinc/22/26/88/981222688.db2.gz RTYVSYNFMXWYQJ-BXUZGUMPSA-N -1 0 332.227 3.620 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000908025461 981253525 /nfs/dbraw/zinc/25/35/25/981253525.db2.gz XBDYHOWKAPCHCV-STQMWFEESA-N -1 0 345.361 3.728 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000908025456 981253609 /nfs/dbraw/zinc/25/36/09/981253609.db2.gz XBDYHOWKAPCHCV-OLZOCXBDSA-N -1 0 345.361 3.728 20 0 EHADRM C[C@H](CC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)c1c[nH]c2ccccc21 ZINC000908036689 981256459 /nfs/dbraw/zinc/25/64/59/981256459.db2.gz WCLJOOMRNZGZRB-WBMJQRKESA-N -1 0 330.428 3.667 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@@H]2CCSC3(CC(C(=O)[O-])C3)C2)cc1 ZINC000908165265 981275741 /nfs/dbraw/zinc/27/57/41/981275741.db2.gz NGOMGKOSUIGUPS-KOHRHEQBSA-N -1 0 347.480 3.669 20 0 EHADRM CC1(CC(=O)N[C@@H]2CCSC3(CC(C(=O)[O-])C3)C2)CCCCC1 ZINC000908166635 981276127 /nfs/dbraw/zinc/27/61/27/981276127.db2.gz RHUIKEOJBKKFSE-TXKKKEFDSA-N -1 0 339.501 3.592 20 0 EHADRM CC[C@H]1c2ccccc2CN1C(=O)Nc1cnc(C)c(C(=O)[O-])c1 ZINC001595504315 981278729 /nfs/dbraw/zinc/27/87/29/981278729.db2.gz KTCPQWVQZPWBKY-INIZCTEOSA-N -1 0 325.368 3.587 20 0 EHADRM CC[C@H]1c2ccccc2CCN1C(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC001595504775 981279459 /nfs/dbraw/zinc/27/94/59/981279459.db2.gz OYSLMCKGFNKSER-KRWDZBQOSA-N -1 0 342.395 3.505 20 0 EHADRM CC[C@@H]1c2ccccc2CN1C(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC000908181977 981280646 /nfs/dbraw/zinc/28/06/46/981280646.db2.gz USYKGYCZJVLSDL-DBXWQHBBSA-N -1 0 335.403 3.738 20 0 EHADRM CC[C@@H]1c2ccccc2CN1C(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC000908181978 981280668 /nfs/dbraw/zinc/28/06/68/981280668.db2.gz USYKGYCZJVLSDL-OPYAIIAOSA-N -1 0 335.403 3.738 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908355720 981307875 /nfs/dbraw/zinc/30/78/75/981307875.db2.gz WDQDMRNWWPNUSL-UHFFFAOYSA-N -1 0 338.473 3.730 20 0 EHADRM CCN(CC)c1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000908641862 981331839 /nfs/dbraw/zinc/33/18/39/981331839.db2.gz MTGRNMYUIBAMAZ-OAHLLOKOSA-N -1 0 346.452 3.540 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@@H]3CCSc4c(F)cccc43)(CC1)C2 ZINC000908726194 981348404 /nfs/dbraw/zinc/34/84/04/981348404.db2.gz FMRSDHPTXSYKAZ-NLNFPOJYSA-N -1 0 349.427 3.514 20 0 EHADRM CCC(CC)[C@@H](NC(=O)c1ccoc1CC(=O)[O-])c1cccs1 ZINC000908750057 981353556 /nfs/dbraw/zinc/35/35/56/981353556.db2.gz BJCZABVDDOZHHC-MRXNPFEDSA-N -1 0 335.425 3.876 20 0 EHADRM CCS[C@@H]1CCCCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1 ZINC000908798057 981364483 /nfs/dbraw/zinc/36/44/83/981364483.db2.gz VGKAKIUPWZIPRY-RWBZWWBESA-N -1 0 339.501 3.546 20 0 EHADRM O=C([O-])C12CCC(C(=O)Nc3ccc(CC(F)(F)F)cc3)(CC1)C2 ZINC000908807737 981365918 /nfs/dbraw/zinc/36/59/18/981365918.db2.gz ZBMHTVPNQBRBSB-UHFFFAOYSA-N -1 0 341.329 3.765 20 0 EHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)c2ccoc2CC(=O)[O-])o1 ZINC000908818000 981368074 /nfs/dbraw/zinc/36/80/74/981368074.db2.gz STIHWHJUWQMFPX-AWEZNQCLSA-N -1 0 331.368 3.566 20 0 EHADRM CCC[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1)C(C)C ZINC001595536121 981380798 /nfs/dbraw/zinc/38/07/98/981380798.db2.gz PJXLTFMQCQWFJC-BXUZGUMPSA-N -1 0 329.799 3.793 20 0 EHADRM CCC[C@@H](C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccccn1 ZINC001595537037 981384754 /nfs/dbraw/zinc/38/47/54/981384754.db2.gz FTHKKYFIDPZIFL-ZBFHGGJFSA-N -1 0 347.798 3.988 20 0 EHADRM CCC[C@@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccccn1 ZINC001595537032 981385005 /nfs/dbraw/zinc/38/50/05/981385005.db2.gz FTHKKYFIDPZIFL-GDBMZVCRSA-N -1 0 347.798 3.988 20 0 EHADRM CCC[C@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1C)c1ccccn1 ZINC001595537261 981386303 /nfs/dbraw/zinc/38/63/03/981386303.db2.gz ILGWHRMODCGHQE-LBPRGKRZSA-N -1 0 330.359 3.750 20 0 EHADRM C[C@@H](c1ccc(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)cc1)C(F)(F)F ZINC000908968463 981393052 /nfs/dbraw/zinc/39/30/52/981393052.db2.gz ICEVPECMDODKHR-CABZTGNLSA-N -1 0 331.334 3.582 20 0 EHADRM CC/C(C)=C(/C)C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000908972498 981394172 /nfs/dbraw/zinc/39/41/72/981394172.db2.gz BKHUWIFTAIXVGU-QXMHVHEDSA-N -1 0 325.355 3.515 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[C@@H]1OCCc2sccc21 ZINC000909083479 981415673 /nfs/dbraw/zinc/41/56/73/981415673.db2.gz KUXTWTUCLQVMBC-BZNIZROVSA-N -1 0 345.420 3.643 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cnn(CC3CCCC3)c2)ccc1Cl ZINC000909110888 981420463 /nfs/dbraw/zinc/42/04/63/981420463.db2.gz CVGZUFHJYCTDPE-UHFFFAOYSA-N -1 0 347.802 3.677 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2[nH]ccc2C2CC2)cc1 ZINC000909324736 981468112 /nfs/dbraw/zinc/46/81/12/981468112.db2.gz GISVPJVHURFPOA-OAHLLOKOSA-N -1 0 344.436 3.560 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000909402863 981485252 /nfs/dbraw/zinc/48/52/52/981485252.db2.gz NQLHLOFGXUZBGQ-CQSZACIVSA-N -1 0 333.771 3.537 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)c1ccoc1CC(=O)[O-])C(C)(C)C ZINC000909412138 981487571 /nfs/dbraw/zinc/48/75/71/981487571.db2.gz HKDYJALPJDYRHO-KRWDZBQOSA-N -1 0 329.396 3.732 20 0 EHADRM Cc1ccc(C)c([C@H]2CCCN2C(=O)c2ccoc2CC(=O)[O-])c1 ZINC000909412745 981487659 /nfs/dbraw/zinc/48/76/59/981487659.db2.gz KGSSVYQSEJPDFM-MRXNPFEDSA-N -1 0 327.380 3.501 20 0 EHADRM O=C([O-])Cc1occc1C(=O)Nc1ccccc1CCC(F)(F)F ZINC000909416589 981490128 /nfs/dbraw/zinc/49/01/28/981490128.db2.gz ZQGGYIDANSSPJM-UHFFFAOYSA-N -1 0 341.285 3.654 20 0 EHADRM CCC[C@@H](CC(C)C)C(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001595579661 981509160 /nfs/dbraw/zinc/50/91/60/981509160.db2.gz SGQQFAGSGICOGS-JXFKEZNVSA-N -1 0 331.456 3.704 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CCCc1ccc(O)c(F)c1 ZINC000909514314 981521314 /nfs/dbraw/zinc/52/13/14/981521314.db2.gz YJUWFTPLGOSQIY-UHFFFAOYSA-N -1 0 345.370 3.808 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C[C@@H]1CCC2(CCC2)CO1 ZINC000909516478 981523120 /nfs/dbraw/zinc/52/31/20/981523120.db2.gz MTYKBEFZQRYYMU-AWEZNQCLSA-N -1 0 331.412 3.680 20 0 EHADRM Cc1ccc(CCC(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)s1 ZINC000909533373 981534861 /nfs/dbraw/zinc/53/48/61/981534861.db2.gz ATGHVIVKCRHJTF-INIZCTEOSA-N -1 0 345.464 3.581 20 0 EHADRM CCC[C@H](CC1CCCCC1)C(=O)NCc1ccnc(C(=O)[O-])c1 ZINC001595587148 981539392 /nfs/dbraw/zinc/53/93/92/981539392.db2.gz CNCMBDJJSBPXHW-MRXNPFEDSA-N -1 0 332.444 3.783 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])[NH2+]Cc2ccc(Cl)c(C)c2)cc1 ZINC000683174530 1014742384 /nfs/dbraw/zinc/74/23/84/1014742384.db2.gz OZWYZBBXMOAFSV-QGZVFWFLSA-N -1 0 333.815 3.963 20 0 EHADRM CCC[C@H](CCc1ccccc1)NC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001595590687 981546338 /nfs/dbraw/zinc/54/63/38/981546338.db2.gz CKNJSFDSXGAXFJ-KBAYOESNSA-N -1 0 346.471 3.540 20 0 EHADRM CCC[C@@H](NC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1)C(C)(C)C ZINC001595599056 981570258 /nfs/dbraw/zinc/57/02/58/981570258.db2.gz SGSFDBZXLDNWOI-OXQOHEQNSA-N -1 0 346.471 3.639 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3CCC[C@@H](Cc4ccccc4)C3)(CC1)C2 ZINC000909722729 981579252 /nfs/dbraw/zinc/57/92/52/981579252.db2.gz BDFCPWZVMXWIOY-RPCJCACASA-N -1 0 341.451 3.503 20 0 EHADRM CCCN(CCc1cccs1)C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000909728945 981582782 /nfs/dbraw/zinc/58/27/82/981582782.db2.gz IESRHFHQNVSMFL-UHFFFAOYSA-N -1 0 335.469 3.564 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N1CCc2c(Cl)cc(Cl)cc2[C@H]1C ZINC001594744824 981626518 /nfs/dbraw/zinc/62/65/18/981626518.db2.gz BMGPTESQAYLPAT-PSASIEDQSA-N -1 0 330.211 3.550 20 0 EHADRM CCCC1(C(=O)N2CCC(c3ncc(C(=O)[O-])s3)CC2)CCC1 ZINC001595614974 981633106 /nfs/dbraw/zinc/63/31/06/981633106.db2.gz FUACZMXWFUMSGA-UHFFFAOYSA-N -1 0 336.457 3.518 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC001594747990 981641318 /nfs/dbraw/zinc/64/13/18/981641318.db2.gz OJBGIEWBQYIAAG-MAUKXSAKSA-N -1 0 337.375 3.749 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N[C@@H](c1cccc2ccccc21)C(F)(F)F ZINC001594748684 981645749 /nfs/dbraw/zinc/64/57/49/981645749.db2.gz RFJBCVDAYKPWPP-FZMZJTMJSA-N -1 0 339.313 3.670 20 0 EHADRM CCCC1(CCC)CCCN1C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001595617459 981653999 /nfs/dbraw/zinc/65/39/99/981653999.db2.gz MQACEHGWHOOGRA-UHFFFAOYSA-N -1 0 339.461 3.737 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2ccc(OC(C)(C)C)cn2)cc1 ZINC000909835650 981655097 /nfs/dbraw/zinc/65/50/97/981655097.db2.gz HTXFWEMIKNPFMM-LBPRGKRZSA-N -1 0 342.395 3.699 20 0 EHADRM CN(CCc1ccc(Cl)cc1)C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000909921580 981701633 /nfs/dbraw/zinc/70/16/33/981701633.db2.gz SRNCJKSSJSFMJJ-UHFFFAOYSA-N -1 0 349.858 3.766 20 0 EHADRM CCC[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001595621839 981703787 /nfs/dbraw/zinc/70/37/87/981703787.db2.gz POAKTOLFAZCXNE-OWCLPIDISA-N -1 0 338.492 3.878 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(C(F)F)cc2)[C@H]2CCCC[C@H]12 ZINC000909954453 981709755 /nfs/dbraw/zinc/70/97/55/981709755.db2.gz DAWJWFNMKSPJBA-KFWWJZLASA-N -1 0 337.366 3.730 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1ccccc1 ZINC001594767408 981725642 /nfs/dbraw/zinc/72/56/42/981725642.db2.gz FXNVPWDIJCHDKA-REBRKWNGSA-N -1 0 337.366 3.564 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@H]1CCOC2(CCCC2)C1)c1ccccc1 ZINC001594768333 981729359 /nfs/dbraw/zinc/72/93/59/981729359.db2.gz VSUYTMMMXIANNC-DOTOQJQBSA-N -1 0 345.439 3.622 20 0 EHADRM CC[C@@H](C(=O)OCc1ccc(C(=O)[O-])c(F)c1)c1ccc(F)cc1 ZINC001594774780 981754081 /nfs/dbraw/zinc/75/40/81/981754081.db2.gz HTUBEOYFQJNOJM-CQSZACIVSA-N -1 0 334.318 3.900 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@H]1c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC000910154162 981767631 /nfs/dbraw/zinc/76/76/31/981767631.db2.gz WPRDDPKLNPQFEA-FPMFFAJLSA-N -1 0 344.436 3.602 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)CCc1cc(Cl)cs1 ZINC001594783669 981796240 /nfs/dbraw/zinc/79/62/40/981796240.db2.gz YXJAYWNNTYVOGM-MRXNPFEDSA-N -1 0 343.876 3.826 20 0 EHADRM Cc1ccccc1[C@H](C)C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC000910233856 981797390 /nfs/dbraw/zinc/79/73/90/981797390.db2.gz PNRIAZIOETWWFF-QWHCGFSZSA-N -1 0 345.370 3.728 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)[C@@H]2CCC[C@@H]21 ZINC000910241127 981808941 /nfs/dbraw/zinc/80/89/41/981808941.db2.gz TYGFPZBWHPFOIQ-DWMDIXPDSA-N -1 0 333.472 3.695 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cscc1C(F)(F)F ZINC001594786731 981815155 /nfs/dbraw/zinc/81/51/55/981815155.db2.gz ZSFNSNIOVMYKAR-CQSZACIVSA-N -1 0 349.374 3.872 20 0 EHADRM Cc1ccc([C@@H]2CCN(C(=O)c3ccccc3CCC(=O)[O-])C2)cc1 ZINC000910251777 981826503 /nfs/dbraw/zinc/82/65/03/981826503.db2.gz XNMXPZFUIAIZLX-GOSISDBHSA-N -1 0 337.419 3.642 20 0 EHADRM Cc1ccc(CN(C)C(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1C ZINC000910252598 981827249 /nfs/dbraw/zinc/82/72/49/981827249.db2.gz VEGYZHJZAVIBSA-UHFFFAOYSA-N -1 0 329.440 3.687 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)N2C3CCC2(C(=O)[O-])CC3)c1 ZINC000910299193 981853588 /nfs/dbraw/zinc/85/35/88/981853588.db2.gz ZDZKIUAGTPGSTJ-PCVOSPCESA-N -1 0 345.439 3.577 20 0 EHADRM CCCC[C@H](CCC)CNC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001595632646 981858769 /nfs/dbraw/zinc/85/87/69/981858769.db2.gz LWJZCAWFDSFDLW-NEPJUHHUSA-N -1 0 341.477 3.808 20 0 EHADRM C[C@@H]1[C@@H](C(F)(F)F)CCN1c1nc(C(F)(F)F)ccc1C(=O)[O-] ZINC000910308576 981865890 /nfs/dbraw/zinc/86/58/90/981865890.db2.gz MLPGLERZCLFTFR-SVRRBLITSA-N -1 0 342.239 3.576 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(OCC(C)C)cc1 ZINC001594793676 981866355 /nfs/dbraw/zinc/86/63/55/981866355.db2.gz WLEVAXLDTZASQN-FQEVSTJZSA-N -1 0 347.455 3.827 20 0 EHADRM CC(C)(CNc1nc(-c2ccccn2)nc2sccc21)CC(=O)[O-] ZINC000910332802 981875350 /nfs/dbraw/zinc/87/53/50/981875350.db2.gz DPGVEPQDWZZZLK-UHFFFAOYSA-N -1 0 342.424 3.666 20 0 EHADRM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N[C@@H](CCF)C(=O)[O-])CC1 ZINC001594797078 981883694 /nfs/dbraw/zinc/88/36/94/981883694.db2.gz UAAHJTSJZFDLQJ-NTXUUIFSSA-N -1 0 327.440 3.548 20 0 EHADRM CCCC[C@@H](NC(=O)C(C)(C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001595634202 981884063 /nfs/dbraw/zinc/88/40/63/981884063.db2.gz KPOPEBQAEMQKFM-CYBMUJFWSA-N -1 0 345.361 3.743 20 0 EHADRM CC[C@@H](NC(=O)c1ccccc1CCC(=O)[O-])c1ccccc1OC ZINC000910349407 981885197 /nfs/dbraw/zinc/88/51/97/981885197.db2.gz BBDYIZUFLOJXLY-QGZVFWFLSA-N -1 0 341.407 3.594 20 0 EHADRM CCCC[C@H](NC(=O)[C@H](Oc1ccc(Cl)cc1)C(C)C)C(=O)[O-] ZINC001595634397 981887704 /nfs/dbraw/zinc/88/77/04/981887704.db2.gz NKSOUVOIKQILNE-LSDHHAIUSA-N -1 0 341.835 3.503 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)Cc2cccc(C(F)F)c2)c2ccccc21 ZINC000910366427 981896201 /nfs/dbraw/zinc/89/62/01/981896201.db2.gz CMRQKNRBONVVJU-AWEZNQCLSA-N -1 0 345.345 3.772 20 0 EHADRM CCCC[C@H](NC(=O)CCCOc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001595635541 981905219 /nfs/dbraw/zinc/90/52/19/981905219.db2.gz ZZUOONPPXDACAB-KRWDZBQOSA-N -1 0 349.471 3.903 20 0 EHADRM CCC(C)(C)OCC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1Cl ZINC001594808398 981917728 /nfs/dbraw/zinc/91/77/28/981917728.db2.gz GBHKDPNEXGASAC-UHFFFAOYSA-N -1 0 334.199 3.835 20 0 EHADRM CCC(C)(C)OCCNC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001594808572 981919813 /nfs/dbraw/zinc/91/98/13/981919813.db2.gz REFLEGBPXOMJCZ-UHFFFAOYSA-N -1 0 346.786 3.504 20 0 EHADRM CCC(C)(C)c1ccc(COC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)cc1 ZINC001594813967 981935209 /nfs/dbraw/zinc/93/52/09/981935209.db2.gz ANUUPTWELBMGGO-DOTOQJQBSA-N -1 0 348.439 3.687 20 0 EHADRM CCC(C)(C)OCc1ccccc1NC(=O)c1ccc(C(=O)[O-])o1 ZINC001594814436 981938145 /nfs/dbraw/zinc/93/81/45/981938145.db2.gz NSRMQOHGXQOOPX-UHFFFAOYSA-N -1 0 331.368 3.935 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cccn1[C@H](C)Cc1ccccc1 ZINC001594823845 981978153 /nfs/dbraw/zinc/97/81/53/981978153.db2.gz NCTRAXHAZZUPMI-QRWLVFNGSA-N -1 0 342.439 3.665 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cccn1[C@@H](C)Cc1ccccc1 ZINC001594823843 981978321 /nfs/dbraw/zinc/97/83/21/981978321.db2.gz NCTRAXHAZZUPMI-MGPUTAFESA-N -1 0 342.439 3.665 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCCSC[C@H]1c1ccccc1 ZINC000910512814 981978514 /nfs/dbraw/zinc/97/85/14/981978514.db2.gz MMBSUAZGHDPUJR-BBWFWOEESA-N -1 0 347.480 3.584 20 0 EHADRM C[C@H]1CCN(C(=O)CCc2ccc(C(=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000910545495 981988769 /nfs/dbraw/zinc/98/87/69/981988769.db2.gz WFMQYRGKXYFELL-YWZLYKJASA-N -1 0 337.419 3.927 20 0 EHADRM CCCC[C@@H](Nc1ccc(OCc2ccccn2)c(F)c1)C(=O)[O-] ZINC001595645384 981989069 /nfs/dbraw/zinc/98/90/69/981989069.db2.gz JBTHMKQPDACPOD-MRXNPFEDSA-N -1 0 332.375 3.855 20 0 EHADRM Cc1ccc(CN(CCCC(C)C)C(=O)c2ccoc2CC(=O)[O-])o1 ZINC000910618956 982023830 /nfs/dbraw/zinc/02/38/30/982023830.db2.gz JNJXPZQTSCURBT-UHFFFAOYSA-N -1 0 347.411 3.887 20 0 EHADRM CCCC[C@H](S[C@@H](C)C(=O)Nc1cc(F)ccc1C)C(=O)[O-] ZINC001595651613 982024467 /nfs/dbraw/zinc/02/44/67/982024467.db2.gz IMCGQNATEIRRIJ-FZMZJTMJSA-N -1 0 327.421 3.838 20 0 EHADRM O=C([O-])c1cc(Oc2ccc(NC(=O)[C@H]3C[C@H]4C[C@H]4C3)cc2)ccn1 ZINC000910619494 982024549 /nfs/dbraw/zinc/02/45/49/982024549.db2.gz LFPFADHMUQFFGC-ITGUQSILSA-N -1 0 338.363 3.557 20 0 EHADRM CCCCN(C(=O)c1ccoc1CC(=O)[O-])[C@H](C)c1ccc(C)o1 ZINC000910623762 982032097 /nfs/dbraw/zinc/03/20/97/982032097.db2.gz KUJUOEDNHLYZHH-CYBMUJFWSA-N -1 0 333.384 3.812 20 0 EHADRM Cc1ccc(-n2ncc(NC(=O)C[C@H](C)CC(=O)[O-])c2C(C)C)cc1 ZINC000910659261 982046639 /nfs/dbraw/zinc/04/66/39/982046639.db2.gz SLSLJDUJMCLRME-AWEZNQCLSA-N -1 0 343.427 3.744 20 0 EHADRM CC(C)c1sc(NC(=O)C(F)(F)c2ccccc2)nc1C(=O)[O-] ZINC000910698407 982068811 /nfs/dbraw/zinc/06/88/11/982068811.db2.gz DARANMCQZKTRTJ-UHFFFAOYSA-N -1 0 340.351 3.695 20 0 EHADRM CC(C)c1sc(NC(=O)[C@@H]2CCc3cc(F)ccc32)nc1C(=O)[O-] ZINC000910705144 982074755 /nfs/dbraw/zinc/07/47/55/982074755.db2.gz CNZVRZAPIJGKPK-GFCCVEGCSA-N -1 0 348.399 3.772 20 0 EHADRM CCCCS[C@H](C)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910730465 982092955 /nfs/dbraw/zinc/09/29/55/982092955.db2.gz BIISZQGLMHEGJR-MRVPVSSYSA-N -1 0 328.459 3.579 20 0 EHADRM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910733032 982095081 /nfs/dbraw/zinc/09/50/81/982095081.db2.gz GPPRMVIMAMCIIS-UWVGGRQHSA-N -1 0 348.449 3.831 20 0 EHADRM O=C([O-])c1nc(NC(=O)CCSc2ccccc2)sc1C1CC1 ZINC000910737856 982098731 /nfs/dbraw/zinc/09/87/31/982098731.db2.gz WKJFPIYORNSKPE-UHFFFAOYSA-N -1 0 348.449 3.840 20 0 EHADRM CCCCC[C@@H](C)CC(=O)N[C@@](C)(Cc1ccc(F)cc1)C(=O)[O-] ZINC001595666331 982099816 /nfs/dbraw/zinc/09/98/16/982099816.db2.gz IMQHWPJFTGOOEW-KUHUBIRLSA-N -1 0 337.435 3.934 20 0 EHADRM CCCCC[C@@H](NC(=O)[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC001595670032 982115961 /nfs/dbraw/zinc/11/59/61/982115961.db2.gz MEQLWGCBJYABGT-SMDDNHRTSA-N -1 0 345.361 3.959 20 0 EHADRM CCCCC[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C)C(=O)[O-] ZINC001595670449 982118151 /nfs/dbraw/zinc/11/81/51/982118151.db2.gz PUNFQYGLKYZOGY-OCCSQVGLSA-N -1 0 341.835 3.565 20 0 EHADRM CCCCC[C@@H](CC)C(=O)Nc1cc(C(=O)[O-])ccc1C(=O)OC ZINC001595670957 982121301 /nfs/dbraw/zinc/12/13/01/982121301.db2.gz WCKUUJPHKOCTHC-GFCCVEGCSA-N -1 0 335.400 3.716 20 0 EHADRM O=C([O-])CC1CC(NC(=O)c2cccc(-c3c(F)cccc3F)c2)C1 ZINC000910808302 982130133 /nfs/dbraw/zinc/13/01/33/982130133.db2.gz NQMBYVJAKSGGNZ-UHFFFAOYSA-N -1 0 345.345 3.615 20 0 EHADRM Cc1sc(C(=O)NC2CC(CC(=O)[O-])C2)cc1-c1ccc(F)cc1 ZINC000910810693 982132084 /nfs/dbraw/zinc/13/20/84/982132084.db2.gz ZWWGUZRINCMYBZ-UHFFFAOYSA-N -1 0 347.411 3.846 20 0 EHADRM CCCCC[C@H](NC(=O)Cc1c(Cl)cccc1Cl)C(=O)[O-] ZINC001595672829 982137348 /nfs/dbraw/zinc/13/73/48/982137348.db2.gz PWWDLCSINHICLD-ZDUSSCGKSA-N -1 0 332.227 3.686 20 0 EHADRM CC(C)(CNC(=O)c1sc2ccccc2c1Cl)CC(=O)[O-] ZINC000910827379 982141192 /nfs/dbraw/zinc/14/11/92/982141192.db2.gz NIRMURXBRLGCFF-UHFFFAOYSA-N -1 0 325.817 3.785 20 0 EHADRM C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc3ccccc32)C[C@H]1CC(=O)[O-] ZINC000910863668 982153263 /nfs/dbraw/zinc/15/32/63/982153263.db2.gz YSMCBTVTQVOWEK-MDUILUSMSA-N -1 0 337.419 3.513 20 0 EHADRM CC[C@@H](C)[C@H](C(=O)N(C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001594866282 982174234 /nfs/dbraw/zinc/17/42/34/982174234.db2.gz QLIHZIWKKFLHEU-RISCZKNCSA-N -1 0 332.425 3.634 20 0 EHADRM CC1(C)C[C@H]1C(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC000910956869 982176265 /nfs/dbraw/zinc/17/62/65/982176265.db2.gz HOMWZKBOZUOLOW-INIZCTEOSA-N -1 0 340.423 3.618 20 0 EHADRM CC(C)(C)C(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC000910957020 982176299 /nfs/dbraw/zinc/17/62/99/982176299.db2.gz NOOTWVJCVSULFE-UHFFFAOYSA-N -1 0 328.412 3.618 20 0 EHADRM O=C(/C=C/c1cc(C(=O)[O-])co1)Nc1ccc(N2CCCCC2)cc1 ZINC000911085984 982230657 /nfs/dbraw/zinc/23/06/57/982230657.db2.gz CIJMQPGDESWUDQ-CMDGGOBGSA-N -1 0 340.379 3.620 20 0 EHADRM CCCCCC[C@H](C)NS(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001595696881 982235115 /nfs/dbraw/zinc/23/51/15/982235115.db2.gz FEZMUPYDAIGANM-NSHDSACASA-N -1 0 347.864 3.675 20 0 EHADRM CCCCCC[C@H](C)NC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595698801 982253805 /nfs/dbraw/zinc/25/38/05/982253805.db2.gz VCWVQKJWZUXQLO-QWRGUYRKSA-N -1 0 327.450 3.560 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)CC(C)(C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001594884405 982263058 /nfs/dbraw/zinc/26/30/58/982263058.db2.gz SMOUXPFQDRGHEH-MLGOLLRUSA-N -1 0 339.863 3.914 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)/C=C/c1ccc(F)c2ccccc12)C(=O)[O-] ZINC001594884622 982264557 /nfs/dbraw/zinc/26/45/57/982264557.db2.gz WYPPUYOUQXRKGZ-UUXUQAPKSA-N -1 0 329.371 3.608 20 0 EHADRM CCCCCCO[C@H](C)C(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001595711141 982297839 /nfs/dbraw/zinc/29/78/39/982297839.db2.gz PXPAVXPRCSMSQP-LLVKDONJSA-N -1 0 327.446 3.987 20 0 EHADRM CCCCN(C(=O)c1ccc(OCC(=O)[O-])cc1)[C@@H]1CCC[C@H](C)C1 ZINC001595735521 982379006 /nfs/dbraw/zinc/37/90/06/982379006.db2.gz HJWHPHHMBXXIDJ-DOTOQJQBSA-N -1 0 347.455 3.971 20 0 EHADRM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2cc(C)cc(C(=O)[O-])c2)s1 ZINC000911425784 982426762 /nfs/dbraw/zinc/42/67/62/982426762.db2.gz ANUNXTDDNNFTGA-GFCCVEGCSA-N -1 0 346.452 3.854 20 0 EHADRM Cc1ncc(-c2ccccc2)cc1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000911429652 982429732 /nfs/dbraw/zinc/42/97/32/982429732.db2.gz DSTHZVMCPSWLPA-HZPDHXFCSA-N -1 0 338.407 3.887 20 0 EHADRM Cc1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1-c1ncco1 ZINC000911479720 982452114 /nfs/dbraw/zinc/45/21/14/982452114.db2.gz LPBVEVPVXBFFIN-UHFFFAOYSA-N -1 0 340.379 3.624 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N(CCC(=O)[O-])Cc2ccncc2)s1 ZINC000911524653 982475041 /nfs/dbraw/zinc/47/50/41/982475041.db2.gz MYEQTYQQSBLDNL-UHFFFAOYSA-N -1 0 346.452 3.558 20 0 EHADRM CCCCOc1cc(CNc2cccc(CC(=O)[O-])n2)ccc1OC ZINC001595773949 982527142 /nfs/dbraw/zinc/52/71/42/982527142.db2.gz BPPMTCWWPUEWKC-UHFFFAOYSA-N -1 0 344.411 3.508 20 0 EHADRM CC[C@@H](C)CCC(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000911599780 982533781 /nfs/dbraw/zinc/53/37/81/982533781.db2.gz ZFQHAQDLKBBVIR-CQSZACIVSA-N -1 0 332.444 3.614 20 0 EHADRM CC[C@@H](C)[C@@H](Sc1nc(-c2ccccc2)c(C)c(=O)[nH]1)C(=O)[O-] ZINC001594928788 982542857 /nfs/dbraw/zinc/54/28/57/982542857.db2.gz MTBTUAQNHPMPMD-QMTHXVAHSA-N -1 0 332.425 3.749 20 0 EHADRM CCCCOc1cccc(NC(=O)N[C@](C)(CC(=O)[O-])C2CC2)c1 ZINC001595781141 982560116 /nfs/dbraw/zinc/56/01/16/982560116.db2.gz RXRRUOBFTMLGHM-GOSISDBHSA-N -1 0 334.416 3.630 20 0 EHADRM CCCCS[C@@H](C)C(=O)Nc1ncc(C(=O)[O-])c2ccccc21 ZINC001595789232 982587868 /nfs/dbraw/zinc/58/78/68/982587868.db2.gz QONWXEWPGGSWHL-NSHDSACASA-N -1 0 332.425 3.793 20 0 EHADRM CCCCc1cc(N[C@H](CCC(=O)[O-])Cc2ccccc2)ncn1 ZINC001595793122 982594814 /nfs/dbraw/zinc/59/48/14/982594814.db2.gz DPXIORQHPSHRFW-QGZVFWFLSA-N -1 0 327.428 3.707 20 0 EHADRM CCCCc1ccc(C(=O)N2c3cccc(C)c3C[C@H]2C(=O)[O-])cc1 ZINC001595794040 982597779 /nfs/dbraw/zinc/59/77/79/982597779.db2.gz WYNVFXCEWLRUFI-IBGZPJMESA-N -1 0 337.419 3.994 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)[C@H](C)Sc1ccccc1Cl)C(=O)[O-] ZINC001594937538 982600672 /nfs/dbraw/zinc/60/06/72/982600672.db2.gz WDOXXAPDVDRFSO-GVXVVHGQSA-N -1 0 343.876 3.826 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)[C@H](C)Sc1ccccc1Cl)C(=O)[O-] ZINC001594937537 982600739 /nfs/dbraw/zinc/60/07/39/982600739.db2.gz WDOXXAPDVDRFSO-GMXVVIOVSA-N -1 0 343.876 3.826 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)/C=C\c1csc(C(F)(F)F)c1)C(=O)[O-] ZINC001594937915 982603575 /nfs/dbraw/zinc/60/35/75/982603575.db2.gz AUTPFQZEQXWSDO-ZDTBXWBLSA-N -1 0 349.374 3.786 20 0 EHADRM CC(C)Oc1c(NC(=O)c2[nH]ccc2C2CC2)cccc1C(=O)[O-] ZINC000911734301 982619239 /nfs/dbraw/zinc/61/92/39/982619239.db2.gz PZTYQVUHCBATSM-UHFFFAOYSA-N -1 0 328.368 3.630 20 0 EHADRM CCn1c(C)cc(C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)c1C ZINC000911738266 982620570 /nfs/dbraw/zinc/62/05/70/982620570.db2.gz ANJWGINATDODRA-UHFFFAOYSA-N -1 0 344.411 3.863 20 0 EHADRM CC(C)Oc1c(NC(=O)[C@@H](C)c2ccsc2)cccc1C(=O)[O-] ZINC000911738634 982621367 /nfs/dbraw/zinc/62/13/67/982621367.db2.gz GNEGMIZRMONVNA-NSHDSACASA-N -1 0 333.409 3.976 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)c1ccc(OC(F)(F)F)c(C)c1)C(=O)[O-] ZINC001594945316 982632658 /nfs/dbraw/zinc/63/26/58/982632658.db2.gz BBOAGRFIWBUNDV-BXKDBHETSA-N -1 0 347.333 3.513 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NCCC(C)(C)C1CC1)C(=O)[O-] ZINC000911756644 982633780 /nfs/dbraw/zinc/63/37/80/982633780.db2.gz SXCMVVLMURERGX-LBPRGKRZSA-N -1 0 335.469 3.808 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)c1csc(-c2ccccc2C)n1)C(=O)[O-] ZINC001594949658 982651453 /nfs/dbraw/zinc/65/14/53/982651453.db2.gz GSONUTQWQNBAQM-RISCZKNCSA-N -1 0 346.452 3.738 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)/C=C\c1ccc(Cl)s1)c1cccs1 ZINC000914731102 982657459 /nfs/dbraw/zinc/65/74/59/982657459.db2.gz QTZRWHCIVKOCBF-AYYIZTPMSA-N -1 0 341.841 3.808 20 0 EHADRM CCCN(C(=O)Cc1ccc(C2CCCCC2)cc1)[C@H](C)C(=O)[O-] ZINC001595820119 982684138 /nfs/dbraw/zinc/68/41/38/982684138.db2.gz BJUWCLXURUVIMO-OAHLLOKOSA-N -1 0 331.456 3.989 20 0 EHADRM CCCN(C(=O)Nc1c(C(=O)[O-])cnn1C)[C@@H](CC)c1ccccc1 ZINC001595822370 982692837 /nfs/dbraw/zinc/69/28/37/982692837.db2.gz OQDSMWBQMOLVAC-HNNXBMFYSA-N -1 0 344.415 3.514 20 0 EHADRM CC[C@@H](C)CC[C@H](O)CC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001594957755 982693321 /nfs/dbraw/zinc/69/33/21/982693321.db2.gz MQMFJZBWYHMSIU-PWSUYJOCSA-N -1 0 327.808 3.554 20 0 EHADRM CCCN(C(=O)c1ccc(COc2ccccc2)cc1)[C@@H](C)C(=O)[O-] ZINC001595827312 982712545 /nfs/dbraw/zinc/71/25/45/982712545.db2.gz OVNUINYGAIUXQA-HNNXBMFYSA-N -1 0 341.407 3.591 20 0 EHADRM CCCN(C(=O)c1cccc(C(=O)[O-])n1)[C@@H](CC)c1ccccc1 ZINC001595830851 982719067 /nfs/dbraw/zinc/71/90/67/982719067.db2.gz QTUJQVUFRMCGAE-KRWDZBQOSA-N -1 0 326.396 3.783 20 0 EHADRM O=C([O-])c1ccccc1CCNC(=O)C[C@H]1CCCc2ccccc21 ZINC000923121379 982740657 /nfs/dbraw/zinc/74/06/57/982740657.db2.gz YQIXDBYVNRZVNL-QGZVFWFLSA-N -1 0 337.419 3.554 20 0 EHADRM O=C([O-])c1ccccc1CCNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000923132737 982745513 /nfs/dbraw/zinc/74/55/13/982745513.db2.gz LETZJMVMFMIQOI-YXJHDRRASA-N -1 0 329.440 3.650 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000923154350 982769161 /nfs/dbraw/zinc/76/91/61/982769161.db2.gz PBEQQXZBWZLCFY-MDUILUSMSA-N -1 0 337.419 3.655 20 0 EHADRM CCCN(CCc1ccccn1)C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC001595884393 982906689 /nfs/dbraw/zinc/90/66/89/982906689.db2.gz VYGRGJYPOJXEIG-UHFFFAOYSA-N -1 0 341.411 3.575 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N2[C@@H](C)CC(C(=O)[O-])C[C@@H]2C)cc1 ZINC001595000388 982912688 /nfs/dbraw/zinc/91/26/88/982912688.db2.gz VXCZBNYOKAUDKU-IHRRRGAJSA-N -1 0 333.428 3.578 20 0 EHADRM CC[C@@H](C)Oc1cccc(NCc2ccc(OCC(=O)[O-])cc2)c1 ZINC001595007434 982924964 /nfs/dbraw/zinc/92/49/64/982924964.db2.gz BLTIYGMXECMXAK-CQSZACIVSA-N -1 0 329.396 3.939 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)NC(CC)(CC)CC(=O)[O-])cc1 ZINC001595009134 982932908 /nfs/dbraw/zinc/93/29/08/982932908.db2.gz FQLKDHKUMFHULM-CYBMUJFWSA-N -1 0 341.473 3.512 20 0 EHADRM CCCN(Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001595899768 982949455 /nfs/dbraw/zinc/94/94/55/982949455.db2.gz JHUMUNMDWHANCQ-UHFFFAOYSA-N -1 0 342.395 3.838 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C\C(=O)N(C)C(C)(C)CC(=O)[O-] ZINC001119574494 982988367 /nfs/dbraw/zinc/98/83/67/982988367.db2.gz CZEQQSHSOITBSD-XMXAVACDSA-N -1 0 333.428 3.589 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)/C=C\c1ccc2ccccc2n1 ZINC001119654468 983021131 /nfs/dbraw/zinc/02/11/31/983021131.db2.gz ULDSRIHEZQUUAS-LUAWRHEFSA-N -1 0 332.359 3.893 20 0 EHADRM CCCOC1(CNC(=O)Nc2ccc(CC(=O)[O-])cc2)CCCCC1 ZINC001595942601 983099400 /nfs/dbraw/zinc/09/94/00/983099400.db2.gz ZAHRJBSKMIEIFY-UHFFFAOYSA-N -1 0 348.443 3.565 20 0 EHADRM O=C(CSc1n[n-]c(=NC2CCCCC2)s1)C1CCCC1 ZINC000607757362 1014915320 /nfs/dbraw/zinc/91/53/20/1014915320.db2.gz DCZJFHXCKIUMMA-UHFFFAOYSA-N -1 0 325.503 3.556 20 0 EHADRM CCCOc1ccc(NCc2nc(C(=O)[O-])cs2)cc1Cl ZINC001595966889 983175685 /nfs/dbraw/zinc/17/56/85/983175685.db2.gz VFZGPRNJXFJEBH-UHFFFAOYSA-N -1 0 326.805 3.896 20 0 EHADRM CCCOc1cccc(NC(=O)NCCc2ccccc2C(=O)[O-])c1 ZINC001595968910 983186364 /nfs/dbraw/zinc/18/63/64/983186364.db2.gz HWPOTJCPHZSOBC-UHFFFAOYSA-N -1 0 342.395 3.538 20 0 EHADRM CCCOc1ccccc1NC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001595969556 983191843 /nfs/dbraw/zinc/19/18/43/983191843.db2.gz OWEDKQUJRXCMBA-AWEZNQCLSA-N -1 0 348.443 3.830 20 0 EHADRM CCCOc1nc(C)ccc1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001595974871 983204991 /nfs/dbraw/zinc/20/49/91/983204991.db2.gz JALPVRACJTTYJI-UHFFFAOYSA-N -1 0 348.786 3.783 20 0 EHADRM CCCc1c(C(=O)N2CC[C@H](CC(C)(C)C)C2)[nH]c(C)c1C(=O)[O-] ZINC001596030206 983298008 /nfs/dbraw/zinc/29/80/08/983298008.db2.gz HGPXEJQGCYITPS-CYBMUJFWSA-N -1 0 334.460 3.872 20 0 EHADRM CCCc1c(C(=O)Nc2ccc(O)cc2SC)[nH]c(C)c1C(=O)[O-] ZINC001596045613 983334677 /nfs/dbraw/zinc/33/46/77/983334677.db2.gz VBTNBAJKZDTSLJ-UHFFFAOYSA-N -1 0 348.424 3.654 20 0 EHADRM CCCc1c(C(=O)N[C@H](C)c2ccc(Cl)cn2)[nH]c(C)c1C(=O)[O-] ZINC001596045671 983335189 /nfs/dbraw/zinc/33/51/89/983335189.db2.gz KIHWPWSRVCCPGQ-SECBINFHSA-N -1 0 349.818 3.513 20 0 EHADRM CCCc1c(C(=O)Nc2scnc2C2CC2)[nH]c(C)c1C(=O)[O-] ZINC001596047548 983342853 /nfs/dbraw/zinc/34/28/53/983342853.db2.gz ZRIKMNGGJGIBTQ-UHFFFAOYSA-N -1 0 333.413 3.560 20 0 EHADRM CCCc1ccc(C(=O)N[C@@H](CC(=O)[O-])Cc2ccccc2)s1 ZINC001596060677 983369616 /nfs/dbraw/zinc/36/96/16/983369616.db2.gz PIJHUPSBJDPFTG-CQSZACIVSA-N -1 0 331.437 3.516 20 0 EHADRM CCCc1ccc(CCCC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)cc1 ZINC001596063455 983375849 /nfs/dbraw/zinc/37/58/49/983375849.db2.gz ZNQIBPUIJDSSLB-QGZVFWFLSA-N -1 0 333.472 3.967 20 0 EHADRM CCCc1cncc(Oc2ncc(C(=O)[O-])cc2C(F)(F)F)c1 ZINC001596081449 983396175 /nfs/dbraw/zinc/39/61/75/983396175.db2.gz AGLLIUADKBLFJH-UHFFFAOYSA-N -1 0 326.274 3.938 20 0 EHADRM CCCc1csc(NC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])n1 ZINC001596082712 983402388 /nfs/dbraw/zinc/40/23/88/983402388.db2.gz YMMARLZBEWRAAM-RISCZKNCSA-N -1 0 347.440 3.679 20 0 EHADRM CCN(C(=O)C1C[C@H]2CCCC[C@@H](C1)C2=O)c1ccccc1C(=O)[O-] ZINC001596136798 983484821 /nfs/dbraw/zinc/48/48/21/983484821.db2.gz GMEUMTPMSZFLGZ-YIONKMFJSA-N -1 0 343.423 3.523 20 0 EHADRM CCN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(C)(C)C(=O)[O-] ZINC001596138870 983489754 /nfs/dbraw/zinc/48/97/54/983489754.db2.gz XWHQXWUZYNYHQZ-NWDGAFQWSA-N -1 0 344.238 3.809 20 0 EHADRM CCN(C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C)C1CCCC1 ZINC001596150557 983510599 /nfs/dbraw/zinc/51/05/99/983510599.db2.gz LCGQSZYMUUHXCA-UHFFFAOYSA-N -1 0 334.416 3.968 20 0 EHADRM CCN(C(=O)Nc1ccc(F)c(C(=O)[O-])c1F)[C@H](C)c1cccnc1 ZINC001596158994 983522980 /nfs/dbraw/zinc/52/29/80/983522980.db2.gz XAEBCABVQUZNEB-SNVBAGLBSA-N -1 0 349.337 3.673 20 0 EHADRM CCN(Cc1ccccc1)C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001596371668 983871968 /nfs/dbraw/zinc/87/19/68/983871968.db2.gz YEFZPMBYMXXHCW-UHFFFAOYSA-N -1 0 332.444 3.643 20 0 EHADRM CCN(c1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1)C(C)C ZINC001596382940 983906205 /nfs/dbraw/zinc/90/62/05/983906205.db2.gz IPWYXJVGYOQMBT-UHFFFAOYSA-N -1 0 326.396 3.872 20 0 EHADRM CCOC(=O)/C(=C\c1cc(C(=O)[O-])ccc1Cl)c1ncccc1C ZINC001596509505 984271504 /nfs/dbraw/zinc/27/15/04/984271504.db2.gz OTGZPWHDEUBELE-UVTDQMKNSA-N -1 0 345.782 3.845 20 0 EHADRM CCOC(=O)[C@H](CC)SCc1ccc(C(=O)[O-])c2cccnc12 ZINC001596528800 984351712 /nfs/dbraw/zinc/35/17/12/984351712.db2.gz ZQUKEKLPJCRLIB-AWEZNQCLSA-N -1 0 333.409 3.508 20 0 EHADRM CCOC(=O)[C@]12CCC[C@@H]1C[C@@H](Nc1cccc([C@H](C)C(=O)[O-])c1)C2 ZINC001596563550 984444482 /nfs/dbraw/zinc/44/44/82/984444482.db2.gz USRYIDQFSQCGLO-XEQBAVFLSA-N -1 0 345.439 3.799 20 0 EHADRM C/C(=C\C(=O)N[C@H](CC1CCCCC1)C(=O)[O-])c1ccc(F)cc1 ZINC001588938298 984620889 /nfs/dbraw/zinc/62/08/89/984620889.db2.gz AMXFPYJOTHKPCY-MLFXKNMZSA-N -1 0 333.403 3.769 20 0 EHADRM C/C(=C\C(=O)NCC1(C(=O)[O-])CCCCC1)c1cccc(Cl)c1 ZINC001588939155 984627491 /nfs/dbraw/zinc/62/74/91/984627491.db2.gz SFBKFRQVNBJPPA-JLHYYAGUSA-N -1 0 335.831 3.895 20 0 EHADRM CCOC(=O)N(C)c1ccc(N[C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC001596643017 984641008 /nfs/dbraw/zinc/64/10/08/984641008.db2.gz NCLDUMYFSMCFQG-CQSZACIVSA-N -1 0 334.397 3.579 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)Nc1cc(F)ccc1Oc1ccccc1 ZINC001599887595 984655521 /nfs/dbraw/zinc/65/55/21/984655521.db2.gz MQZDWOAKCRQMEG-LLVKDONJSA-N -1 0 332.331 3.603 20 0 EHADRM C/C(=C\C(=O)[O-])CSc1nc2cc(Br)ccc2o1 ZINC001588951756 984681800 /nfs/dbraw/zinc/68/18/00/984681800.db2.gz GFVDWMHAWSSTNF-QPJJXVBHSA-N -1 0 328.187 3.713 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001599890795 984691957 /nfs/dbraw/zinc/69/19/57/984691957.db2.gz FJFGIGMKZHCYBX-CXAGYDPISA-N -1 0 335.419 3.717 20 0 EHADRM C/C(=C\CN1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1)C(=O)[O-] ZINC001588959975 984728865 /nfs/dbraw/zinc/72/88/65/984728865.db2.gz VZDKUSCGPQHYOV-SHRNQRGKSA-N -1 0 325.412 3.635 20 0 EHADRM CCOC(=O)c1c2ccccc2sc1NC(=O)C[C@H](C)CC(=O)[O-] ZINC001596697031 984851993 /nfs/dbraw/zinc/85/19/93/984851993.db2.gz CTSGTMLMNGQSCM-JTQLQIEISA-N -1 0 349.408 3.517 20 0 EHADRM C/C(=C/c1c(Cl)cccc1Cl)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC001588995940 984930096 /nfs/dbraw/zinc/93/00/96/984930096.db2.gz XCRQEMRSPCLQQM-XJMUJKMXSA-N -1 0 342.222 3.718 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N1c2cccc(C)c2C[C@@H]1C(=O)[O-] ZINC001588998106 984934071 /nfs/dbraw/zinc/93/40/71/984934071.db2.gz HPXGIGYNGYVGSM-LVMGUKCRSA-N -1 0 339.366 3.580 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)Cc2cc3cc(Cl)ccc3[nH]2)(C(=O)[O-])CC1 ZINC001599907038 984937505 /nfs/dbraw/zinc/93/75/05/984937505.db2.gz AWDXZMJLLCBWDO-CKSWESSHSA-N -1 0 348.830 3.514 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)c2ccc(F)c3ccccc23)(C(=O)[O-])CC1 ZINC001599907388 984941270 /nfs/dbraw/zinc/94/12/70/984941270.db2.gz DCENTQJXWOAAAN-GGZYXLCDSA-N -1 0 329.371 3.742 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)CSc2ccccc2Cl)(C(=O)[O-])CC1 ZINC001599907396 984941442 /nfs/dbraw/zinc/94/14/42/984941442.db2.gz RGEMQZBHVOLCEB-SXUIPJSXSA-N -1 0 341.860 3.582 20 0 EHADRM CCOC(=O)c1cc2ccccc2cc1NC(=O)CCCCC(=O)[O-] ZINC001596715892 984946327 /nfs/dbraw/zinc/94/63/27/984946327.db2.gz ZYBRCQFISYTGKY-UHFFFAOYSA-N -1 0 343.379 3.600 20 0 EHADRM C/C(=C/c1cccc(Cl)c1)C(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC001589001937 984946298 /nfs/dbraw/zinc/94/62/98/984946298.db2.gz NNGLQUJWRMMPAM-QBFSEMIESA-N -1 0 335.831 3.989 20 0 EHADRM C/C(=C\c1ccccc1Cl)C(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC001589003772 984956901 /nfs/dbraw/zinc/95/69/01/984956901.db2.gz LGSDNTFEBNTVHX-LPQFERQCSA-N -1 0 335.831 3.893 20 0 EHADRM CC(=O)[C@H](C)CCCCC(=O)Oc1cc(Cl)ccc1C(=O)[O-] ZINC001589022915 985019559 /nfs/dbraw/zinc/01/95/59/985019559.db2.gz HMUJBRSGADHWPR-SNVBAGLBSA-N -1 0 326.776 3.729 20 0 EHADRM CC(=O)CC(C)(C)CC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001589029582 985053114 /nfs/dbraw/zinc/05/31/14/985053114.db2.gz HHNHECBCGIPRPK-UHFFFAOYSA-N -1 0 327.380 3.872 20 0 EHADRM CCO[C@@H](CC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)C(C)C ZINC001596782270 985239350 /nfs/dbraw/zinc/23/93/50/985239350.db2.gz OFUVOLDFXHWKTO-LBPRGKRZSA-N -1 0 331.771 3.567 20 0 EHADRM CCO[C@H](c1noc(-c2cc(C)cc(C(=O)[O-])c2)n1)c1ccccc1 ZINC001596789956 985261358 /nfs/dbraw/zinc/26/13/58/985261358.db2.gz IZTBJALBPRYHDN-INIZCTEOSA-N -1 0 338.363 3.869 20 0 EHADRM C[C@]12CCCC[C@H]1CN2C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001599938155 985421716 /nfs/dbraw/zinc/42/17/16/985421716.db2.gz FORFALJCSZEDBZ-AMVTXUCVSA-N -1 0 328.412 3.671 20 0 EHADRM CCO[C@@H]1C[C@](NC(=O)c2ccc([C@H](C)CC)cc2)(C(=O)[O-])C1(C)C ZINC001596827579 985441896 /nfs/dbraw/zinc/44/18/96/985441896.db2.gz IRUMCHHKNIYCMO-AUJRIZCKSA-N -1 0 347.455 3.588 20 0 EHADRM Cc1[nH]c(C(=O)CSc2cccc3cccnc32)c(C)c1C(=O)[O-] ZINC001599949684 985586648 /nfs/dbraw/zinc/58/66/48/985586648.db2.gz OMYOIBUSTHEBBI-UHFFFAOYSA-N -1 0 340.404 3.853 20 0 EHADRM Cc1[nH]c(C(=O)N2CC3(CCCC3)[C@H]2c2ccco2)c(C)c1C(=O)[O-] ZINC001599950089 985593352 /nfs/dbraw/zinc/59/33/52/985593352.db2.gz DLNKWRTZMOQZBU-MRXNPFEDSA-N -1 0 342.395 3.680 20 0 EHADRM Cc1[nH]c(C(=O)N[C@H](C)c2ccc(OC(C)C)cc2)c(C)c1C(=O)[O-] ZINC001599953200 985645195 /nfs/dbraw/zinc/64/51/95/985645195.db2.gz RZJJQSPSROSWCX-GFCCVEGCSA-N -1 0 344.411 3.608 20 0 EHADRM Cc1[nH]c(C(=O)Nc2cc(-n3cccc3)ccc2F)c(C)c1C(=O)[O-] ZINC001599953948 985655007 /nfs/dbraw/zinc/65/50/07/985655007.db2.gz NVQGKBPABASHME-UHFFFAOYSA-N -1 0 341.342 3.512 20 0 EHADRM CC(=O)Nc1ccccc1CNc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001589217496 985718109 /nfs/dbraw/zinc/71/81/09/985718109.db2.gz GCRBTSJEMMHVGC-UHFFFAOYSA-N -1 0 326.396 3.619 20 0 EHADRM CC(=O)Nc1ccccc1CNc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001589217931 985720994 /nfs/dbraw/zinc/72/09/94/985720994.db2.gz NQARCGKPAFWRNH-CYBMUJFWSA-N -1 0 326.396 3.520 20 0 EHADRM CC(=O)OCCCS[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001589228352 985760922 /nfs/dbraw/zinc/76/09/22/985760922.db2.gz FMEUOEZAEQXGLR-GFCCVEGCSA-N -1 0 337.224 3.806 20 0 EHADRM Cc1[nH]c(C[NH2+][C@@H]2CC(C)(C)Oc3ccc(F)cc32)cc1C(=O)[O-] ZINC001599964251 985864895 /nfs/dbraw/zinc/86/48/95/985864895.db2.gz FQWFPDCJWGMEKU-OAHLLOKOSA-N -1 0 332.375 3.552 20 0 EHADRM Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001599965313 985893396 /nfs/dbraw/zinc/89/33/96/985893396.db2.gz HMFJNQZCXJHKCP-ZWKOTPCHSA-N -1 0 348.402 3.846 20 0 EHADRM Cc1[nH]c2ccccc2c1CCNC(=O)Nc1cc(C(=O)[O-])cs1 ZINC001599965340 985893501 /nfs/dbraw/zinc/89/35/01/985893501.db2.gz HYASMKXMTNCEJA-UHFFFAOYSA-N -1 0 343.408 3.600 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c(F)c1 ZINC001589277150 985992506 /nfs/dbraw/zinc/99/25/06/985992506.db2.gz DPQDKANMUFINPO-LLVKDONJSA-N -1 0 343.354 3.544 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)cc1C ZINC001589277147 985993058 /nfs/dbraw/zinc/99/30/58/985993058.db2.gz DOBQWHZMLJKPTC-UHFFFAOYSA-N -1 0 336.347 3.629 20 0 EHADRM CC(=O)c1ccc(CC(=O)Nc2c(C(=O)[O-])ccc3ccccc32)cc1 ZINC001589283663 986013234 /nfs/dbraw/zinc/01/32/34/986013234.db2.gz PZVZFVQAFVLIOT-UHFFFAOYSA-N -1 0 347.370 3.922 20 0 EHADRM Cc1c(C(=O)N(CC(=O)[O-])c2ccccc2)cccc1-c1ccccn1 ZINC001599974259 986062667 /nfs/dbraw/zinc/06/26/67/986062667.db2.gz KRAQBGQYTVGPCK-UHFFFAOYSA-N -1 0 346.386 3.788 20 0 EHADRM CC(=O)c1cccc(CN2CCC[C@H]2c2nc(C(=O)[O-])c(C)s2)c1 ZINC001589309540 986079940 /nfs/dbraw/zinc/07/99/40/986079940.db2.gz PGXFLPJQSCXRSG-HNNXBMFYSA-N -1 0 344.436 3.689 20 0 EHADRM CCOCc1nc(Cl)cc(Nc2cccc([C@H](C)C(=O)[O-])c2)n1 ZINC001596955669 986127363 /nfs/dbraw/zinc/12/73/63/986127363.db2.gz ARZXUNJTWXWPNU-JTQLQIEISA-N -1 0 335.791 3.598 20 0 EHADRM CCON(CC1CCCCC1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001596963382 986157611 /nfs/dbraw/zinc/15/76/11/986157611.db2.gz GTVVACZZZQOFHM-UHFFFAOYSA-N -1 0 338.379 3.890 20 0 EHADRM Cc1c(C(=O)Nc2cc(C(=O)[O-])cc(Cl)c2Cl)ccn1C ZINC001599982900 986188555 /nfs/dbraw/zinc/18/85/55/986188555.db2.gz LINQWRADZDNKEY-UHFFFAOYSA-N -1 0 327.167 3.591 20 0 EHADRM C[C@@H]1CN(Cc2ccnc3c(C(=O)[O-])cccc23)c2ccccc2O1 ZINC001594548142 986236966 /nfs/dbraw/zinc/23/69/66/986236966.db2.gz SBFYIJOWUZZFQU-CYBMUJFWSA-N -1 0 334.375 3.721 20 0 EHADRM C[C@@H](C(=O)N(CC(=O)[O-])C1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC001589342037 986261279 /nfs/dbraw/zinc/26/12/79/986261279.db2.gz TYYNDHYZFUDRNB-LLVKDONJSA-N -1 0 343.345 3.665 20 0 EHADRM CCOc1c(Cl)cccc1CN1CCc2cccc(C(=O)[O-])c2C1 ZINC001596992216 986275277 /nfs/dbraw/zinc/27/52/77/986275277.db2.gz DDLYTRIRCAXTIZ-UHFFFAOYSA-N -1 0 345.826 3.995 20 0 EHADRM CCOc1c(Cl)cccc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC001596993258 986282347 /nfs/dbraw/zinc/28/23/47/986282347.db2.gz ZWEFKFGJAABOHJ-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM C[C@@H]1CN(c2cc(C(F)(F)F)c(C(=O)[O-])cn2)[C@H]2CCCC[C@@H]12 ZINC001594561647 986321132 /nfs/dbraw/zinc/32/11/32/986321132.db2.gz LSSYZLUAVQEAJL-NRUUGDAUSA-N -1 0 328.334 3.814 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001597008778 986336727 /nfs/dbraw/zinc/33/67/27/986336727.db2.gz DLCIVENIZKFHFI-LBPRGKRZSA-N -1 0 345.370 3.740 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)C(C)(C)c1ccc(F)cc1 ZINC001597010447 986351292 /nfs/dbraw/zinc/35/12/92/986351292.db2.gz ZKDHGBAXFUULEG-UHFFFAOYSA-N -1 0 345.370 3.839 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H](C)CCc1ccco1 ZINC001597016934 986387470 /nfs/dbraw/zinc/38/74/70/986387470.db2.gz OBJZWHRFEMXINF-LBPRGKRZSA-N -1 0 346.383 3.519 20 0 EHADRM C[C@H](C(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1)[C@H](C)C(C)(C)C ZINC001589365539 986391740 /nfs/dbraw/zinc/39/17/40/986391740.db2.gz VMHITZZYDOYWFM-RYUDHWBXSA-N -1 0 335.419 3.727 20 0 EHADRM C[C@@H](C(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1)[C@H](C)C(C)(C)C ZINC001589365537 986391946 /nfs/dbraw/zinc/39/19/46/986391946.db2.gz VMHITZZYDOYWFM-NEPJUHHUSA-N -1 0 335.419 3.727 20 0 EHADRM C[C@@H](C(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C)c1ccccc1C(F)(F)F ZINC001589365578 986392743 /nfs/dbraw/zinc/39/27/43/986392743.db2.gz WMFIJJBPFDTIJX-IJLUTSLNSA-N -1 0 343.345 3.521 20 0 EHADRM C[C@@H](C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)c1ccc(Cl)s1 ZINC001589369058 986408612 /nfs/dbraw/zinc/40/86/12/986408612.db2.gz KAYYLYZWNOIDRB-RHYQMDGZSA-N -1 0 341.860 3.749 20 0 EHADRM OCC[C@@H](N=c1nc(C2CC2)[n-]s1)c1cc(Cl)cc(Cl)c1 ZINC000624722396 1015219266 /nfs/dbraw/zinc/21/92/66/1015219266.db2.gz WNQOTBXZHQCOBQ-GFCCVEGCSA-N -1 0 344.267 3.680 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1ccc2c(c1)CCC2 ZINC001597025746 986432197 /nfs/dbraw/zinc/43/21/97/986432197.db2.gz NBHKHFCNXYRIHG-UHFFFAOYSA-N -1 0 325.364 3.525 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(Cl)c(OC)c1 ZINC001597025862 986432944 /nfs/dbraw/zinc/43/29/44/986432944.db2.gz PJIIHADYZCHGCZ-UHFFFAOYSA-N -1 0 349.770 3.698 20 0 EHADRM CCOc1cc(CN(C)Cc2ccc(C(=O)[O-])cc2)c(F)cc1OC ZINC001597034064 986466014 /nfs/dbraw/zinc/46/60/14/986466014.db2.gz UKINWKOGPZZWHT-UHFFFAOYSA-N -1 0 347.386 3.563 20 0 EHADRM C[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])c1cccc(Cl)c1 ZINC001589385202 986473343 /nfs/dbraw/zinc/47/33/43/986473343.db2.gz CPLDNRXLPIHHLP-WBMJQRKESA-N -1 0 337.847 3.983 20 0 EHADRM CC(C(=O)N[C@@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-])=C1CCCC1 ZINC001589386191 986484068 /nfs/dbraw/zinc/48/40/68/986484068.db2.gz ULTAJWSETRXWDP-HKUYNNGSSA-N -1 0 341.451 3.957 20 0 EHADRM C[C@@H](C(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1)c1ccccn1 ZINC001589386178 986484085 /nfs/dbraw/zinc/48/40/85/986484085.db2.gz UFXQVELNYQBHIY-ZBFHGGJFSA-N -1 0 332.444 3.505 20 0 EHADRM C[C@H](C(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1)c1ccccn1 ZINC001589386176 986484320 /nfs/dbraw/zinc/48/43/20/986484320.db2.gz UFXQVELNYQBHIY-GOEBONIOSA-N -1 0 332.444 3.505 20 0 EHADRM C[C@@H]1COc2ccccc2[C@@H]1OC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001594608297 986591655 /nfs/dbraw/zinc/59/16/55/986591655.db2.gz XABRAHACDLXVGT-BFUOFWGJSA-N -1 0 340.375 3.630 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001594618875 986643469 /nfs/dbraw/zinc/64/34/69/986643469.db2.gz MAATUOSTZFIOBK-GHMZBOCLSA-N -1 0 345.345 3.811 20 0 EHADRM C[C@@H]1Cc2cccc(F)c2N(C(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC001594619226 986648704 /nfs/dbraw/zinc/64/87/04/986648704.db2.gz BRDOPJFCOQOPSG-SNVBAGLBSA-N -1 0 331.318 3.502 20 0 EHADRM C[C@@H](C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1)c1ccc2ccccc2c1 ZINC001589421910 986660500 /nfs/dbraw/zinc/66/05/00/986660500.db2.gz CHEBHFDFHGROCA-LBTNJELSSA-N -1 0 325.408 3.703 20 0 EHADRM C[C@@H]1Cc2cccc(C(=O)Nc3cccc(C(=O)[O-])c3Cl)c2O1 ZINC001594621216 986661094 /nfs/dbraw/zinc/66/10/94/986661094.db2.gz UHGMNLDRNLGVIL-SECBINFHSA-N -1 0 331.755 3.614 20 0 EHADRM C[C@H](C(=O)Nc1ccc(C(=O)[O-])c2ccccc12)c1cccc(O)c1 ZINC001589431067 986723678 /nfs/dbraw/zinc/72/36/78/986723678.db2.gz DDVSSOWSZSQVIA-LBPRGKRZSA-N -1 0 335.359 3.986 20 0 EHADRM CCOc1ccc(Cl)cc1CN[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001597106777 986750088 /nfs/dbraw/zinc/75/00/88/986750088.db2.gz RTCIXAROPBJOFD-VIFPVBQESA-N -1 0 340.832 3.744 20 0 EHADRM CCOc1ccc(NC(=O)N[C@H](CC(=O)[O-])c2cccs2)c(C)c1 ZINC001597119380 986806079 /nfs/dbraw/zinc/80/60/79/986806079.db2.gz UJJFLCPFCIGRTH-CQSZACIVSA-N -1 0 348.424 3.793 20 0 EHADRM C[C@H](C(=O)Nc1cccc2cc(C(=O)[O-])sc21)c1ccccn1 ZINC001589445035 986807810 /nfs/dbraw/zinc/80/78/10/986807810.db2.gz NFCNHOXAYXGFNX-JTQLQIEISA-N -1 0 326.377 3.737 20 0 EHADRM CCOc1ccc(OCCOc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001597132837 986860661 /nfs/dbraw/zinc/86/06/61/986860661.db2.gz VANBDMHWWIJMJG-UHFFFAOYSA-N -1 0 336.771 3.895 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)Nc1ccc2cc[nH]c2c1)c1ccccc1 ZINC001589457971 986898053 /nfs/dbraw/zinc/89/80/53/986898053.db2.gz CKTQXXRWGOMHEB-YVEFUNNKSA-N -1 0 337.379 3.751 20 0 EHADRM C[C@H]1c2c(Cl)cc(Cl)cc2CCN1c1cc(C(=O)[O-])ncn1 ZINC001594666616 986966596 /nfs/dbraw/zinc/96/65/96/986966596.db2.gz XLCUFQKUKVUHTE-QMMMGPOBSA-N -1 0 338.194 3.605 20 0 EHADRM C/C=C(/CC)C(=O)N(C)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001594677539 987015436 /nfs/dbraw/zinc/01/54/36/987015436.db2.gz NWVANXASJLXGEO-VVOKDJNJSA-N -1 0 330.211 3.934 20 0 EHADRM CCOc1ccccc1CCC(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC001597173559 987019609 /nfs/dbraw/zinc/01/96/09/987019609.db2.gz KMWKLHSQQFYMOF-GOSISDBHSA-N -1 0 346.354 3.526 20 0 EHADRM C/C=C\C[C@H]1CCCN(C(=O)Nc2cc(COC)cc(C(=O)[O-])c2)C1 ZINC001594685752 987057657 /nfs/dbraw/zinc/05/76/57/987057657.db2.gz GCZRVMYEMIISAG-NQHOJNORSA-N -1 0 346.427 3.741 20 0 EHADRM C/C=C/COc1cccc(CC(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001594689458 987076038 /nfs/dbraw/zinc/07/60/38/987076038.db2.gz SIHAVZJRLMMEAI-NSCUHMNNSA-N -1 0 343.354 3.660 20 0 EHADRM CC/C(=C/C(=O)N[C@@H](CC(=O)[O-])C1CCCC1)c1ccc(OC)cc1 ZINC001594691030 987086856 /nfs/dbraw/zinc/08/68/56/987086856.db2.gz OEBQFNJHTMRYRD-FFWXCITRSA-N -1 0 345.439 3.638 20 0 EHADRM CCOc1ncccc1C(=O)Oc1cc2ccccc2cc1C(=O)[O-] ZINC001597200795 987102891 /nfs/dbraw/zinc/10/28/91/987102891.db2.gz UFXZQJFDHISYQB-UHFFFAOYSA-N -1 0 337.331 3.551 20 0 EHADRM CC/C(=C\C(=O)OCc1oncc1C(=O)[O-])c1cccc(Cl)c1 ZINC001594694089 987105410 /nfs/dbraw/zinc/10/54/10/987105410.db2.gz LOLTWNSABRYLAK-JXMROGBWSA-N -1 0 335.743 3.563 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CCC(C3CCC3)CC2)cc1 ZINC001589507602 987124120 /nfs/dbraw/zinc/12/41/20/987124120.db2.gz BAIZFKPNOSBJKS-CYBMUJFWSA-N -1 0 330.428 3.919 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N[C@H]2CCCc3occc32)cc1 ZINC001589513436 987158881 /nfs/dbraw/zinc/15/88/81/987158881.db2.gz TUXKGTXWAYBCPU-NHYWBVRUSA-N -1 0 328.368 3.667 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2nc(Cl)sc2Cl)cc1 ZINC001589520762 987162776 /nfs/dbraw/zinc/16/27/76/987162776.db2.gz CJHVDVKYDKIAEK-ZCFIWIBFSA-N -1 0 345.207 3.890 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2sccc2OC(F)F)cc1 ZINC001589522532 987178998 /nfs/dbraw/zinc/17/89/98/987178998.db2.gz FBKMUZRKQFEGKF-MRVPVSSYSA-N -1 0 341.335 3.790 20 0 EHADRM CCC(=O)c1ccc(NC(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)cc1 ZINC001594717184 987192159 /nfs/dbraw/zinc/19/21/59/987192159.db2.gz RAAYYYGXIAXQHN-UHFFFAOYSA-N -1 0 344.367 3.543 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cccc(-c3cnco3)c2)c1 ZINC001589531809 987207522 /nfs/dbraw/zinc/20/75/22/987207522.db2.gz KWUIEYWZKASRKM-LBPRGKRZSA-N -1 0 336.347 3.782 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NCc2c(Cl)nc(Cl)n2C)c1 ZINC001589531963 987209069 /nfs/dbraw/zinc/20/90/69/987209069.db2.gz MGLXRSMKRXPNNM-MRVPVSSYSA-N -1 0 328.199 3.527 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cccc(C(F)(F)F)n2)c1 ZINC001589533303 987225261 /nfs/dbraw/zinc/22/52/61/987225261.db2.gz ZOJWYCNMFLYRSJ-VIFPVBQESA-N -1 0 338.285 3.541 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)Nc2cc(C3CC3)ccn2)c1 ZINC001589533400 987226450 /nfs/dbraw/zinc/22/64/50/987226450.db2.gz OALRCOXGRDQWFS-LLVKDONJSA-N -1 0 325.368 3.791 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)Nc2ccc3c(c2)N(C)CC3)c1 ZINC001589533850 987229451 /nfs/dbraw/zinc/22/94/51/987229451.db2.gz UGIBKTQYQPYVBN-LBPRGKRZSA-N -1 0 339.395 3.511 20 0 EHADRM CC[C@H](C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-])c1ccc(F)cc1 ZINC001594733904 987256326 /nfs/dbraw/zinc/25/63/26/987256326.db2.gz HQTWJFDPVHREAI-JEBQAFNWSA-N -1 0 343.398 3.898 20 0 EHADRM CCS[C@@H]1CC[C@H](N(C)c2cc(C(F)(F)F)c(C(=O)[O-])cn2)C1 ZINC001597256859 987260458 /nfs/dbraw/zinc/26/04/58/987260458.db2.gz PDNJOXKNJPLIJQ-VHSXEESVSA-N -1 0 348.390 3.909 20 0 EHADRM C[C@@H](C(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21)c1cccnc1 ZINC001589543628 987261147 /nfs/dbraw/zinc/26/11/47/987261147.db2.gz RAQLBTSQCSGGEG-PXAZEXFGSA-N -1 0 325.364 3.504 20 0 EHADRM CC[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])C1CCC(C)CC1 ZINC001594736518 987277686 /nfs/dbraw/zinc/27/76/86/987277686.db2.gz NGTKSWNMIXUOET-SYNTWQANSA-N -1 0 331.456 3.651 20 0 EHADRM CCSCc1cccc(NC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)c1 ZINC001597264891 987293169 /nfs/dbraw/zinc/29/31/69/987293169.db2.gz BXBLUUWKUJVBQL-AWEZNQCLSA-N -1 0 338.473 3.951 20 0 EHADRM CCSCc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2OC)cc1 ZINC001597265359 987296358 /nfs/dbraw/zinc/29/63/58/987296358.db2.gz RAJWZNAHKCROAE-UHFFFAOYSA-N -1 0 345.420 3.899 20 0 EHADRM CCSCc1cccc(NC(=O)N[C@](C)(CC(=O)[O-])C2CC2)c1 ZINC001597265418 987296884 /nfs/dbraw/zinc/29/68/84/987296884.db2.gz UNWGBSGSUWARCL-QGZVFWFLSA-N -1 0 336.457 3.705 20 0 EHADRM CCSCc1ccc(C(=O)Oc2ccc(C(=O)[O-])cc2OC)cc1 ZINC001597265461 987297655 /nfs/dbraw/zinc/29/76/55/987297655.db2.gz XVRBZZKWHYVNOR-UHFFFAOYSA-N -1 0 346.404 3.866 20 0 EHADRM Cc1ccc(-c2nc(=O)c3snc(-c4ccccc4)c3[n-]2)cc1O ZINC000547700491 1015296377 /nfs/dbraw/zinc/29/63/77/1015296377.db2.gz ATDPFFFBEVEKBJ-UHFFFAOYSA-N -1 0 335.388 3.728 20 0 EHADRM CCSc1ccc(CC(=O)Oc2ccc(CC(=O)[O-])cc2F)cc1 ZINC001597272308 987319929 /nfs/dbraw/zinc/31/99/29/987319929.db2.gz DAUPJUPMDODDCR-UHFFFAOYSA-N -1 0 348.395 3.713 20 0 EHADRM CC(C)(C(=O)N[C@H](CC1CCCCC1)C(=O)[O-])c1ccc(F)cc1 ZINC001589563538 987325561 /nfs/dbraw/zinc/32/55/61/987325561.db2.gz GCKUYYHFNXLSEJ-MRXNPFEDSA-N -1 0 335.419 3.643 20 0 EHADRM CC(C)(C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21)C1CCC1 ZINC001589569964 987337459 /nfs/dbraw/zinc/33/74/59/987337459.db2.gz BJWZFACKHXLTKA-OAHLLOKOSA-N -1 0 329.440 3.747 20 0 EHADRM CCSc1nnc(SCCOc2ccccc2C(=O)[O-])s1 ZINC001597278988 987337832 /nfs/dbraw/zinc/33/78/32/987337832.db2.gz BNFVXBMHSDBSJE-UHFFFAOYSA-N -1 0 342.467 3.519 20 0 EHADRM CCSc1nnc(S[C@@H](Cc2ccc(C)cc2)C(=O)[O-])s1 ZINC001597280149 987350428 /nfs/dbraw/zinc/35/04/28/987350428.db2.gz RJAXMPDXUSBZIE-NSHDSACASA-N -1 0 340.495 3.747 20 0 EHADRM CC[C@@H](NC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)c1ccc(C)c(F)c1 ZINC001597286030 987364148 /nfs/dbraw/zinc/36/41/48/987364148.db2.gz HZDWYQRFHRCXAD-MDZRGWNJSA-N -1 0 348.418 3.624 20 0 EHADRM CC(C)(C(=O)[O-])C(=O)CSc1nc(C2CCCCC2)cs1 ZINC001589588581 987384122 /nfs/dbraw/zinc/38/41/22/987384122.db2.gz BAEIYSOCFPHVOR-UHFFFAOYSA-N -1 0 327.471 3.963 20 0 EHADRM COc1cccc(-c2nc(=O)c3snc(-c4ccccc4)c3[n-]2)c1 ZINC000547701397 1015304260 /nfs/dbraw/zinc/30/42/60/1015304260.db2.gz GXQFXRKNXQDMRF-UHFFFAOYSA-N -1 0 335.388 3.722 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)NC1(C2CCC2)CCC1)c1ccccc1 ZINC001589594001 987409938 /nfs/dbraw/zinc/40/99/38/987409938.db2.gz LSCDQKSTXHUPAI-MRXNPFEDSA-N -1 0 344.455 3.861 20 0 EHADRM CC[C@H](NC(=O)NC1CCC(C(=O)[O-])CC1)c1ccc(C)c(F)c1 ZINC001597334208 987468784 /nfs/dbraw/zinc/46/87/84/987468784.db2.gz KGXHBJBAANJEPK-PXCJXSSVSA-N -1 0 336.407 3.528 20 0 EHADRM CC(C)(C(=O)[O-])N(Cc1ccccc1)C(=O)c1cc2ccccc2o1 ZINC001589616573 987481961 /nfs/dbraw/zinc/48/19/61/987481961.db2.gz IJVGHSRBRVEGMO-UHFFFAOYSA-N -1 0 337.375 3.938 20 0 EHADRM CC[C@H]1CC[C@H](NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC001597354520 987495984 /nfs/dbraw/zinc/49/59/84/987495984.db2.gz HHGHLSFMLBJGLL-MGCOHNPYSA-N -1 0 326.343 3.753 20 0 EHADRM CCc1[nH]c(C(=O)Nc2ccc(C)c(SC)c2)c(C)c1C(=O)[O-] ZINC001597373337 987557447 /nfs/dbraw/zinc/55/74/47/987557447.db2.gz RCPBAIMRWZNDSC-UHFFFAOYSA-N -1 0 332.425 3.866 20 0 EHADRM CCc1[nH]c(CN(CCC(F)(F)F)CC(F)(F)F)cc1C(=O)[O-] ZINC001597380218 987570647 /nfs/dbraw/zinc/57/06/47/987570647.db2.gz AVDOXWGIQQFLFT-UHFFFAOYSA-N -1 0 346.271 3.592 20 0 EHADRM Cc1n[nH]cc1-c1n[n-]c(=NCc2ccc(C(C)(C)C)s2)s1 ZINC000547702613 1015319171 /nfs/dbraw/zinc/31/91/71/1015319171.db2.gz AIOBIDXDMMVYJF-UHFFFAOYSA-N -1 0 333.486 3.630 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(NC(=O)[C@H](c2ccccc2)C2CC2)n1 ZINC001589649227 987587023 /nfs/dbraw/zinc/58/70/23/987587023.db2.gz MWFLQFJNGYBIEZ-CQSZACIVSA-N -1 0 344.436 3.638 20 0 EHADRM CCc1c2ccccc2oc1C(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC001597407180 987692645 /nfs/dbraw/zinc/69/26/45/987692645.db2.gz TUCICRONRFREFV-UHFFFAOYSA-N -1 0 327.336 3.525 20 0 EHADRM CC(C)(C(=O)OCc1c(Cl)cccc1C(=O)[O-])C1CCOCC1 ZINC001589681260 987711627 /nfs/dbraw/zinc/71/16/27/987711627.db2.gz PYIGTPOMFNIAMG-UHFFFAOYSA-N -1 0 340.803 3.534 20 0 EHADRM CCc1c(NC(=O)c2ccc(C)c(C(=O)[O-])c2)onc1C(F)(F)F ZINC001597414637 987712073 /nfs/dbraw/zinc/71/20/73/987712073.db2.gz HGCRYDZAYTVHRT-UHFFFAOYSA-N -1 0 342.273 3.515 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)c2ccc(/C=C\C(=O)[O-])o2)cc1 ZINC001589696673 987776689 /nfs/dbraw/zinc/77/66/89/987776689.db2.gz KXQCVLSUGJNIMK-LUAWRHEFSA-N -1 0 341.363 3.859 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC001589697031 987779048 /nfs/dbraw/zinc/77/90/48/987779048.db2.gz WRAVMDKFKGPRQH-PKNBQFBNSA-N -1 0 341.363 3.859 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)CCSc1cccc(Cl)c1 ZINC001589701073 987795273 /nfs/dbraw/zinc/79/52/73/987795273.db2.gz UDOONAGMZYILEO-CYBMUJFWSA-N -1 0 343.876 3.828 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)c1nc2ccccc2cc1C1CC1 ZINC001589705683 987820764 /nfs/dbraw/zinc/82/07/64/987820764.db2.gz KPBKYSRAJLBNEI-INIZCTEOSA-N -1 0 340.423 3.731 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC001597449697 987834464 /nfs/dbraw/zinc/83/44/64/987834464.db2.gz IOFZXDANHWVFEV-CHWSQXEVSA-N -1 0 345.345 3.968 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N(C)Cc1cccc(C)c1 ZINC001597452617 987849494 /nfs/dbraw/zinc/84/94/94/987849494.db2.gz GNMBEWSLNSOPGY-UHFFFAOYSA-N -1 0 326.396 3.920 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)/C=C/c1cc(C(=O)[O-])co1)c1ccccc1 ZINC001589712997 987851835 /nfs/dbraw/zinc/85/18/35/987851835.db2.gz XKRGVYUELHYYOG-FVNWOWOISA-N -1 0 327.380 3.895 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)Cn1ccc2ccc(F)cc21 ZINC001597452895 987852142 /nfs/dbraw/zinc/85/21/42/987852142.db2.gz ZQNLQEGMJSQCLD-UHFFFAOYSA-N -1 0 340.354 3.680 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@](C)(CC)c1nccs1 ZINC001597457020 987868308 /nfs/dbraw/zinc/86/83/08/987868308.db2.gz PDEFHNGNLVJDBR-QGZVFWFLSA-N -1 0 347.440 3.851 20 0 EHADRM CS[C@H](C)CCC(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC001599784868 987904398 /nfs/dbraw/zinc/90/43/98/987904398.db2.gz XWAMMAVWLQRELG-MRVPVSSYSA-N -1 0 335.347 3.874 20 0 EHADRM CCc1cc(CCCOc2c(Cl)cccc2CCC(=O)[O-])on1 ZINC001597470873 987926751 /nfs/dbraw/zinc/92/67/51/987926751.db2.gz LBYLCMLOILERLA-UHFFFAOYSA-N -1 0 337.803 3.919 20 0 EHADRM CC(C)(C)[C@H]1CCC[C@H]1NC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001589729341 987944143 /nfs/dbraw/zinc/94/41/43/987944143.db2.gz XLYWVJJTMLYYMQ-GXTWGEPZSA-N -1 0 344.415 3.597 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N3CC[C@@H](C)C[C@H]3C(=O)[O-])o2)cc1 ZINC001597492784 988031860 /nfs/dbraw/zinc/03/18/60/988031860.db2.gz WHNLATLMWGQYOH-CJNGLKHVSA-N -1 0 341.407 3.834 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)Cc1ccccc1OC1CCCC1)C(=O)[O-] ZINC001589745631 988041818 /nfs/dbraw/zinc/04/18/18/988041818.db2.gz QZLOUBWASSUZMD-MRXNPFEDSA-N -1 0 347.455 3.556 20 0 EHADRM CCc1ccc(C(=O)COc2cc(C=CC(=O)[O-])ccc2OC)cc1 ZINC001597499041 988050762 /nfs/dbraw/zinc/05/07/62/988050762.db2.gz WEJTYSYCDPXGFH-YRNVUSSQSA-N -1 0 340.375 3.617 20 0 EHADRM CCc1ccc(C(=O)N[C@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)cc1 ZINC001597500204 988052995 /nfs/dbraw/zinc/05/29/95/988052995.db2.gz GRCPSUORSINOSA-LHSJRXKWSA-N -1 0 337.419 3.856 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)CCc1ccc2ccccc2n1)C(=O)[O-] ZINC001589759873 988079143 /nfs/dbraw/zinc/07/91/43/988079143.db2.gz FQPJWQZWNPGGCV-MRXNPFEDSA-N -1 0 329.396 3.600 20 0 EHADRM CCc1ccc(C(C)(C)C(=O)NCC2(CC(=O)[O-])CCCC2)cc1 ZINC001597508302 988086027 /nfs/dbraw/zinc/08/60/27/988086027.db2.gz LZUMPGHGNLPQKX-UHFFFAOYSA-N -1 0 331.456 3.678 20 0 EHADRM CC(C)(C)CCCCC(=O)NCc1ccc(Cl)c(C(=O)[O-])n1 ZINC001589771680 988123082 /nfs/dbraw/zinc/12/30/82/988123082.db2.gz BDLOCRDGPSXATA-UHFFFAOYSA-N -1 0 326.824 3.656 20 0 EHADRM CCc1ccc(CN(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C2CC2)cc1 ZINC001597524879 988165844 /nfs/dbraw/zinc/16/58/44/988165844.db2.gz PMACCWOJPUIGFU-SJORKVTESA-N -1 0 344.455 3.566 20 0 EHADRM CCc1ccc(F)cc1C(=O)Nc1nc(C(C)C)c(C(=O)[O-])s1 ZINC001597530766 988187989 /nfs/dbraw/zinc/18/79/89/988187989.db2.gz NGFRUGPYPSJOTH-UHFFFAOYSA-N -1 0 336.388 3.919 20 0 EHADRM CCc1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1OC ZINC001597542727 988233206 /nfs/dbraw/zinc/23/32/06/988233206.db2.gz ISUUBUYHDFUZRF-UHFFFAOYSA-N -1 0 331.412 3.621 20 0 EHADRM CCc1ccc(NC(=O)[C@H](C)c2cccc(OC)c2)c(C(=O)[O-])c1 ZINC001597542984 988234948 /nfs/dbraw/zinc/23/49/48/988234948.db2.gz NYPGHNCFPJVRKR-GFCCVEGCSA-N -1 0 327.380 3.698 20 0 EHADRM CCc1ccc(NC(=O)Cc2cccc3cnccc32)c(C(=O)[O-])c1 ZINC001597545080 988246310 /nfs/dbraw/zinc/24/63/10/988246310.db2.gz PXCQSOJQZLAPMP-UHFFFAOYSA-N -1 0 334.375 3.677 20 0 EHADRM CCc1ccc(NC(=O)Cc2ccc(F)cc2Cl)c(C(=O)[O-])c1 ZINC001597545474 988247585 /nfs/dbraw/zinc/24/75/85/988247585.db2.gz VYYGSDWQIOAHKU-UHFFFAOYSA-N -1 0 335.762 3.921 20 0 EHADRM CSCc1nnc(S[C@@H](C(=O)[O-])c2c(F)cccc2Cl)o1 ZINC001599805666 988251233 /nfs/dbraw/zinc/25/12/33/988251233.db2.gz PUMSJEWZMPZYBT-SNVBAGLBSA-N -1 0 348.808 3.643 20 0 EHADRM CCc1ccc(NCC(=O)Nc2c(C)cccc2CC)c(C(=O)[O-])c1 ZINC001597551748 988277154 /nfs/dbraw/zinc/27/71/54/988277154.db2.gz LQGDLFHSNDCCLR-UHFFFAOYSA-N -1 0 340.423 3.869 20 0 EHADRM CSc1cc(C)ccc1NC(=O)N[C@@H](CC(=O)[O-])C1CCCC1 ZINC001599807580 988280405 /nfs/dbraw/zinc/28/04/05/988280405.db2.gz OXLANGQSSRTPCQ-AWEZNQCLSA-N -1 0 336.457 3.872 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2CCC(C)(C)C2)cc1 ZINC001599810525 988326281 /nfs/dbraw/zinc/32/62/81/988326281.db2.gz AKIUAFUTTFONNG-UKRRQHHQSA-N -1 0 335.469 3.867 20 0 EHADRM CSc1ccc(/C=C\C(=O)Nc2ccsc2C(=O)[O-])s1 ZINC001599813478 988380135 /nfs/dbraw/zinc/38/01/35/988380135.db2.gz WNGFPVMPSRBVKB-RQOWECAXSA-N -1 0 325.436 3.882 20 0 EHADRM CSc1ccc(Cl)c(NC(=O)NCCCCCC(=O)[O-])c1 ZINC001599814008 988388416 /nfs/dbraw/zinc/38/84/16/988388416.db2.gz DOGMURCTDLUXCM-UHFFFAOYSA-N -1 0 330.837 3.828 20 0 EHADRM CSc1ccc(NC(=O)Cc2ccc(C)c(C)c2)cc1C(=O)[O-] ZINC001599815755 988420628 /nfs/dbraw/zinc/42/06/28/988420628.db2.gz TZDMGSDPTXPAPL-UHFFFAOYSA-N -1 0 329.421 3.905 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cccnc1OCC(C)C ZINC001597594792 988434191 /nfs/dbraw/zinc/43/41/91/988434191.db2.gz USWMSQIWXOFYJH-UHFFFAOYSA-N -1 0 342.395 3.629 20 0 EHADRM CSc1ccc(NC(=O)N[C@@H]2C[C@H]2c2ccsc2)cc1C(=O)[O-] ZINC001599819535 988487524 /nfs/dbraw/zinc/48/75/24/988487524.db2.gz ULVVDUCXOKIXQH-WCQYABFASA-N -1 0 348.449 3.846 20 0 EHADRM CCc1ccccc1CC(=O)N(c1ccccc1)[C@H](CC)C(=O)[O-] ZINC001597609124 988491425 /nfs/dbraw/zinc/49/14/25/988491425.db2.gz KTOKSQXDIGSKBF-GOSISDBHSA-N -1 0 325.408 3.688 20 0 EHADRM CSc1ccc(NC(=O)c2nccc(Cl)c2F)cc1C(=O)[O-] ZINC001599820580 988506385 /nfs/dbraw/zinc/50/63/85/988506385.db2.gz CCKPVPFVMDVGQL-UHFFFAOYSA-N -1 0 340.763 3.547 20 0 EHADRM CSc1ccc(NCc2cc(-c3ccccn3)n[nH]2)cc1C(=O)[O-] ZINC001599820651 988507339 /nfs/dbraw/zinc/50/73/39/988507339.db2.gz HAAYBMFTNSDQGA-UHFFFAOYSA-N -1 0 340.408 3.504 20 0 EHADRM CSc1ccccc1C(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC001599823265 988551866 /nfs/dbraw/zinc/55/18/66/988551866.db2.gz KGMZRADZQWYBFG-INIZCTEOSA-N -1 0 329.421 3.581 20 0 EHADRM CSc1ccccc1CC(=O)OCc1cc(C(=O)[O-])ccc1F ZINC001599823848 988562925 /nfs/dbraw/zinc/56/29/25/988562925.db2.gz HSPXCCBSFBRIBA-UHFFFAOYSA-N -1 0 334.368 3.532 20 0 EHADRM CSc1ccccc1CN(C)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001599824253 988569304 /nfs/dbraw/zinc/56/93/04/988569304.db2.gz TVJICCXYNBMTOZ-UHFFFAOYSA-N -1 0 335.469 3.792 20 0 EHADRM CSc1cccc(C)c1NC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001599824454 988573130 /nfs/dbraw/zinc/57/31/30/988573130.db2.gz YCAQOPZYIXDRQM-UHFFFAOYSA-N -1 0 336.438 3.798 20 0 EHADRM CCc1cnc(CN(C)Cc2ccc(C(=O)[O-])c3cccnc23)s1 ZINC001597628904 988589340 /nfs/dbraw/zinc/58/93/40/988589340.db2.gz LIRDLMSEEGHCTD-UHFFFAOYSA-N -1 0 341.436 3.584 20 0 EHADRM CCc1cnccc1[C@@H](C)NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001597636993 988621408 /nfs/dbraw/zinc/62/14/08/988621408.db2.gz TWQJQZSJIMRAIO-SECBINFHSA-N -1 0 349.337 3.503 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)/C=C/c1ccc(Cl)s1 ZINC001599831876 988687405 /nfs/dbraw/zinc/68/74/05/988687405.db2.gz VRQSHUYAGMBAAY-OANVXVOSSA-N -1 0 349.839 3.917 20 0 EHADRM CCc1nc(C(C)C)ccc1C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001597653130 988701291 /nfs/dbraw/zinc/70/12/91/988701291.db2.gz WSSDGWGKUCEJHE-UHFFFAOYSA-N -1 0 340.423 3.738 20 0 EHADRM C[C@@H](CC1CCCCC1)NC(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC001599835583 988737164 /nfs/dbraw/zinc/73/71/64/988737164.db2.gz ZIMLVZYLLDNUAN-NSHDSACASA-N -1 0 339.461 3.641 20 0 EHADRM C[C@@H](NC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1)C1CCCCCC1 ZINC001599837395 988765665 /nfs/dbraw/zinc/76/56/65/988765665.db2.gz BGRODEFRXFTLPL-LIVBEALHSA-N -1 0 329.440 3.720 20 0 EHADRM CCc1nc(NC(=O)/C=C(/C)c2ccccc2C)sc1C(=O)[O-] ZINC001597678075 988796637 /nfs/dbraw/zinc/79/66/37/988796637.db2.gz KNYIWKZHWRCMJN-LUAWRHEFSA-N -1 0 330.409 3.754 20 0 EHADRM CCc1nc(NC(=O)c2ccc(OC)c(C3CC3)c2)sc1C(=O)[O-] ZINC001597684960 988824623 /nfs/dbraw/zinc/82/46/23/988824623.db2.gz FYOXXEGRNWOSNX-UHFFFAOYSA-N -1 0 346.408 3.542 20 0 EHADRM C[C@@H](NC(=O)c1ccsc1CC(=O)[O-])c1ccc2c(c1)CCCC2 ZINC001599840893 988827109 /nfs/dbraw/zinc/82/71/09/988827109.db2.gz SRLGQSAIPNPKMW-GFCCVEGCSA-N -1 0 343.448 3.745 20 0 EHADRM C[C@@H](OC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1cccc(Cl)c1F ZINC001599846344 988939018 /nfs/dbraw/zinc/93/90/18/988939018.db2.gz JHIZPHUHFDROND-MXWKQRLJSA-N -1 0 328.767 3.974 20 0 EHADRM C[C@@H](OC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(C(F)(F)F)nc1 ZINC001599846718 988944852 /nfs/dbraw/zinc/94/48/52/988944852.db2.gz XCGSUFDRKKEKTM-OUAUKWLOSA-N -1 0 345.317 3.596 20 0 EHADRM C[C@@H](OC(=O)c1ccc(-c2ccccc2C(F)(F)F)o1)C(=O)[O-] ZINC001599846784 988945796 /nfs/dbraw/zinc/94/57/96/988945796.db2.gz TWSMNZCAHSTLGQ-MRVPVSSYSA-N -1 0 328.242 3.595 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001599847716 988961066 /nfs/dbraw/zinc/96/10/66/988961066.db2.gz ZBFKTGFZMHHZGQ-LBPRGKRZSA-N -1 0 331.799 3.800 20 0 EHADRM CCc1noc([C@H](C)SCc2cccc(C(=O)[O-])c2Cl)n1 ZINC001597740537 989088541 /nfs/dbraw/zinc/08/85/41/989088541.db2.gz AFOCBATWEUFTPV-QMMMGPOBSA-N -1 0 326.805 3.978 20 0 EHADRM CC(C)(C)[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C(F)(F)F ZINC000547714694 1015454357 /nfs/dbraw/zinc/45/43/57/1015454357.db2.gz QWUFGEYIQMGUTM-JTQLQIEISA-N -1 0 347.761 3.734 20 0 EHADRM CC(C)(C)OC(=O)N1Cc2ccc(N[C@H]3CC[C@H](C(=O)[O-])C3)cc2C1 ZINC001590105368 989255520 /nfs/dbraw/zinc/25/55/20/989255520.db2.gz GOBRGYUMHMSEPK-WFASDCNBSA-N -1 0 346.427 3.603 20 0 EHADRM CCn1c(C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)cc2ccccc21 ZINC001597836160 989520506 /nfs/dbraw/zinc/52/05/06/989520506.db2.gz IJYBGXAVTZEYFT-INIZCTEOSA-N -1 0 342.439 3.672 20 0 EHADRM C[C@@]12CSC[C@@H]1C[N@@H+]([C@@H](C(=O)[O-])c1cccc(Cl)c1Cl)C2 ZINC001599885152 989542045 /nfs/dbraw/zinc/54/20/45/989542045.db2.gz WCRYJNAMVIVNBV-JBCWJZNQSA-N -1 0 346.279 3.804 20 0 EHADRM CCn1c(C)cc(C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)c1C ZINC001597843771 989553877 /nfs/dbraw/zinc/55/38/77/989553877.db2.gz VOCVTSPKKUIUQU-UHFFFAOYSA-N -1 0 325.368 3.557 20 0 EHADRM CCn1nc(C(C)C)cc1C(=O)Nc1c(C)ccc(Cl)c1C(=O)[O-] ZINC001597927741 989878250 /nfs/dbraw/zinc/87/82/50/989878250.db2.gz CXJTXRGQWNVNEY-UHFFFAOYSA-N -1 0 349.818 3.939 20 0 EHADRM CC(C)(C)O[C@H]1C[C@H](NC(=O)Nc2cccc(C(=O)[O-])c2)C12CCC2 ZINC001590378555 989882739 /nfs/dbraw/zinc/88/27/39/989882739.db2.gz HQMYBBFSVAKKHA-GJZGRUSLSA-N -1 0 346.427 3.633 20 0 EHADRM CC(C)(C)Oc1cccc(CN2CCc3cc(C(=O)[O-])ccc3C2)n1 ZINC001590415995 989953805 /nfs/dbraw/zinc/95/38/05/989953805.db2.gz DOTZIHBKMMMQFT-UHFFFAOYSA-N -1 0 340.423 3.515 20 0 EHADRM CCn1ncc(Cl)c1C(=O)Nc1c(C(=O)[O-])ccc2ccccc21 ZINC001597958407 989977244 /nfs/dbraw/zinc/97/72/44/989977244.db2.gz ONBBXRRRMRRJRN-UHFFFAOYSA-N -1 0 343.770 3.660 20 0 EHADRM CC(C)(C)c1cc(NCc2ccnc(C(=O)[O-])c2)nc(C(C)(C)C)n1 ZINC001590461864 990031798 /nfs/dbraw/zinc/03/17/98/990031798.db2.gz LRVSWGAKXFYAES-UHFFFAOYSA-N -1 0 342.443 3.777 20 0 EHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)CSC(F)F)cc1 ZINC001590480280 990063107 /nfs/dbraw/zinc/06/31/07/990063107.db2.gz NSQUNFBEKCZVMJ-GFCCVEGCSA-N -1 0 345.411 3.572 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)NC[C@H](CC2CC2)C(=O)[O-])cc1F ZINC001590493086 990094973 /nfs/dbraw/zinc/09/49/73/990094973.db2.gz JKOZZGHEKCEVPS-LBPRGKRZSA-N -1 0 336.407 3.746 20 0 EHADRM CC(C)(C)c1cccc(OS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)c1 ZINC001590499325 990112063 /nfs/dbraw/zinc/11/20/63/990112063.db2.gz RYZOSHRXLVBQEV-UHFFFAOYSA-N -1 0 348.420 3.591 20 0 EHADRM CC(C)(C)c1cccc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)c1O ZINC001590499364 990112078 /nfs/dbraw/zinc/11/20/78/990112078.db2.gz TYQCUHHMWUIMCH-UHFFFAOYSA-N -1 0 331.412 3.663 20 0 EHADRM CN(C(=O)C12CCC(C(=O)[O-])(CC1)C2)[C@H]1CCCc2ccccc21 ZINC001597997603 990113507 /nfs/dbraw/zinc/11/35/07/990113507.db2.gz XNFNMIIFJXTOCK-DZIBYMRMSA-N -1 0 327.424 3.558 20 0 EHADRM CC(C)(C)c1ccccc1OCC(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001590505169 990119320 /nfs/dbraw/zinc/11/93/20/990119320.db2.gz CGEWRFQTSXLLDN-UHFFFAOYSA-N -1 0 347.455 3.514 20 0 EHADRM CC(C)(C)c1cnc(CNc2cc(C(=O)[O-])cc3cccnc32)o1 ZINC001590515808 990130788 /nfs/dbraw/zinc/13/07/88/990130788.db2.gz JEQZVNJABWPKSG-UHFFFAOYSA-N -1 0 325.368 3.831 20 0 EHADRM CC(C)(C)c1cnc(CN2CCOc3c(cccc3C(=O)[O-])C2)s1 ZINC001590515991 990133707 /nfs/dbraw/zinc/13/37/07/990133707.db2.gz UOLFUXGKHPAWEW-UHFFFAOYSA-N -1 0 346.452 3.533 20 0 EHADRM CC(C)(C)c1ncc(C(=O)OCc2ccsc2C(=O)[O-])s1 ZINC001590551247 990192821 /nfs/dbraw/zinc/19/28/21/990192821.db2.gz YZCJRMMFFZEGKB-UHFFFAOYSA-N -1 0 325.411 3.557 20 0 EHADRM CC(C)(C)c1nccc(N[C@H](CCC(=O)[O-])Cc2ccccc2)n1 ZINC001590571526 990207941 /nfs/dbraw/zinc/20/79/41/990207941.db2.gz DGYZTXUTDGZZCE-OAHLLOKOSA-N -1 0 327.428 3.662 20 0 EHADRM CN(C(=O)CSCCSC(C)(C)C)c1ccccc1C(=O)[O-] ZINC001598033075 990253720 /nfs/dbraw/zinc/25/37/20/990253720.db2.gz FKLTVXCTTTXUPT-UHFFFAOYSA-N -1 0 341.498 3.613 20 0 EHADRM CN(C(=O)NCCCCCCCC(=O)[O-])C1CCC(F)(F)CC1 ZINC001598048220 990289458 /nfs/dbraw/zinc/28/94/58/990289458.db2.gz ZSJJYTCYPOURRS-UHFFFAOYSA-N -1 0 334.407 3.631 20 0 EHADRM CC(C)(CC(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F)C1CC1 ZINC001590620950 990299019 /nfs/dbraw/zinc/29/90/19/990299019.db2.gz NTKLOXSHZRZLQB-AWEZNQCLSA-N -1 0 343.345 3.931 20 0 EHADRM CN(C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])[C@H]1CCC[C@H]1c1ccccc1 ZINC001598052021 990308654 /nfs/dbraw/zinc/30/86/54/990308654.db2.gz FXAIMTKADAXIDT-FJIDUMEYSA-N -1 0 344.455 3.608 20 0 EHADRM CC(C)(CC(=O)[O-])C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC001590625511 990309262 /nfs/dbraw/zinc/30/92/62/990309262.db2.gz NDCNEHJOFJSPMJ-UHFFFAOYSA-N -1 0 340.375 3.580 20 0 EHADRM CN(C(=O)OC(C)(C)C)c1ccc(NCc2ccc(C(=O)[O-])[nH]2)cc1 ZINC001598066756 990353559 /nfs/dbraw/zinc/35/35/59/990353559.db2.gz KZAQXDWKOCFYKR-UHFFFAOYSA-N -1 0 345.399 3.696 20 0 EHADRM CC(C)(CCNc1cnn(-c2ccc(C(F)(F)F)cc2)c1)C(=O)[O-] ZINC001590693255 990406623 /nfs/dbraw/zinc/40/66/23/990406623.db2.gz BOOYYNFMEYPZNR-UHFFFAOYSA-N -1 0 341.333 3.804 20 0 EHADRM CC(C)(CCNc1ccc(C(=O)NC2CCCCC2)cc1)C(=O)[O-] ZINC001590693532 990408707 /nfs/dbraw/zinc/40/87/07/990408707.db2.gz SPFGXORYVHFVHM-UHFFFAOYSA-N -1 0 332.444 3.662 20 0 EHADRM CN(C(=O)c1ccc(F)c(Cl)c1F)c1ccccc1C(=O)[O-] ZINC001598085597 990414886 /nfs/dbraw/zinc/41/48/86/990414886.db2.gz LLKDLKULZFLULE-UHFFFAOYSA-N -1 0 325.698 3.593 20 0 EHADRM CN(C(=O)c1ccn(C)c1-c1ccccc1)c1ccccc1C(=O)[O-] ZINC001598094082 990445702 /nfs/dbraw/zinc/44/57/02/990445702.db2.gz PKQLHHAYVHYVBD-UHFFFAOYSA-N -1 0 334.375 3.667 20 0 EHADRM CC(C)(CNC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1)C1CCCCC1 ZINC001590706065 990449162 /nfs/dbraw/zinc/44/91/62/990449162.db2.gz GJKJSFXGPOOJSB-DYESRHJHSA-N -1 0 343.467 3.968 20 0 EHADRM CC(C)(C)c1ccc(SCC(=O)NCC(C)(C)CC(=O)[O-])cc1 ZINC001590713191 990466776 /nfs/dbraw/zinc/46/67/76/990466776.db2.gz TWOPOQBHTNLTRF-UHFFFAOYSA-N -1 0 337.485 3.693 20 0 EHADRM CC(C)(CNC(=O)c1ccc(SC(F)(F)F)cc1)CC(=O)[O-] ZINC001590750802 990551053 /nfs/dbraw/zinc/55/10/53/990551053.db2.gz SRVUWYVOMDANCI-UHFFFAOYSA-N -1 0 335.347 3.529 20 0 EHADRM CC(C)(CNC(=O)c1ccccc1NC1CCCCC1)CC(=O)[O-] ZINC001590757435 990557433 /nfs/dbraw/zinc/55/74/33/990557433.db2.gz WSVQMJITNYQGPO-UHFFFAOYSA-N -1 0 332.444 3.662 20 0 EHADRM CC(C)(CNc1cc(C(F)(F)F)c(C(=O)[O-])cn1)C1(O)CCCC1 ZINC001590774332 990577323 /nfs/dbraw/zinc/57/73/23/990577323.db2.gz QJTYXADZUNGGFG-UHFFFAOYSA-N -1 0 346.349 3.542 20 0 EHADRM CC(C)(NC(=O)Nc1cccc(OCC(=O)[O-])c1)C1CCCCC1 ZINC001590855889 990742579 /nfs/dbraw/zinc/74/25/79/990742579.db2.gz PBPMEZPKVKQDJQ-UHFFFAOYSA-N -1 0 334.416 3.630 20 0 EHADRM CC(C)(NC(=O)c1ccc(C(=O)[O-])o1)c1ccc(C(F)(F)F)cc1 ZINC001590861443 990752764 /nfs/dbraw/zinc/75/27/64/990752764.db2.gz FJKZXARMCWVGPS-UHFFFAOYSA-N -1 0 341.285 3.662 20 0 EHADRM CC(C)(NCc1ccc(-c2ccccc2)o1)c1cc(C(=O)[O-])on1 ZINC001590871402 990777532 /nfs/dbraw/zinc/77/75/32/990777532.db2.gz RICCQWAESJKBDX-UHFFFAOYSA-N -1 0 326.352 3.658 20 0 EHADRM CC(C)(NCc1cccc(C(=O)[O-])c1Cl)C(=O)Nc1ccccc1 ZINC001590872637 990780930 /nfs/dbraw/zinc/78/09/30/990780930.db2.gz KYUCHVRDBCIZQX-UHFFFAOYSA-N -1 0 346.814 3.545 20 0 EHADRM CC(C)(NCc1occc1C(=O)[O-])c1nc2cc(Cl)ccc2o1 ZINC001590874352 990784309 /nfs/dbraw/zinc/78/43/09/990784309.db2.gz CRQMJYXDAAFOET-UHFFFAOYSA-N -1 0 334.759 3.797 20 0 EHADRM CC(C)(Nc1ccccc1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001590881178 990800585 /nfs/dbraw/zinc/80/05/85/990800585.db2.gz YEJDMHDNACDOEP-UHFFFAOYSA-N -1 0 340.423 3.878 20 0 EHADRM CC(C)(c1ccc(C(=O)O[C@@H](C(=O)[O-])C2CC2)cc1)C(F)(F)F ZINC001590906858 990870502 /nfs/dbraw/zinc/87/05/02/990870502.db2.gz HNAQQSLIWWJGPA-GFCCVEGCSA-N -1 0 330.302 3.547 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cccnc2SCCC(=O)[O-])C1(C)C ZINC001590914227 990896590 /nfs/dbraw/zinc/89/65/90/990896590.db2.gz CLTLUDKCIVLIRU-DOMZBBRYSA-N -1 0 348.468 3.825 20 0 EHADRM COc1cccc([C@H](NC(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)C(=O)[O-])c1 ZINC001599685601 990982073 /nfs/dbraw/zinc/98/20/73/990982073.db2.gz VSCDZGKSRNCAMN-DEYYWGMASA-N -1 0 347.455 3.790 20 0 EHADRM CC(C)[C@@H](C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)c1ccccc1 ZINC001590952966 991017814 /nfs/dbraw/zinc/01/78/14/991017814.db2.gz MSBRJSWKEJNKGK-MBOZVWFJSA-N -1 0 329.440 3.530 20 0 EHADRM CC(C)[C@H](C(=O)Nc1ncc(C(=O)[O-])c2ccccc21)c1cccnc1 ZINC001590956648 991028907 /nfs/dbraw/zinc/02/89/07/991028907.db2.gz JUEBOSVOUOGQFX-KRWDZBQOSA-N -1 0 349.390 3.706 20 0 EHADRM CC(C)[C@H](C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1cccnc1 ZINC001590957257 991038275 /nfs/dbraw/zinc/03/82/75/991038275.db2.gz SKFJYEMFOZCCJT-HNNXBMFYSA-N -1 0 332.787 3.812 20 0 EHADRM COc1cccc2c1CCCCN2C(=O)Nc1ccc(C(=O)[O-])s1 ZINC001599690984 991067651 /nfs/dbraw/zinc/06/76/51/991067651.db2.gz WWLGTWNRQYQBLY-UHFFFAOYSA-N -1 0 346.408 3.830 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)NC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001590967669 991083871 /nfs/dbraw/zinc/08/38/71/991083871.db2.gz DCSPNWCRSIXYPC-QJRAZLAKSA-N -1 0 341.407 3.765 20 0 EHADRM COc1cccc2cc(C(=O)Nc3cc(C)cc(C(=O)[O-])c3)oc21 ZINC001599692143 991086767 /nfs/dbraw/zinc/08/67/67/991086767.db2.gz KOTXWYDGVQSHBK-UHFFFAOYSA-N -1 0 325.320 3.700 20 0 EHADRM CN(Cc1ccccc1)C(=O)Nc1ccc(CCCC(=O)[O-])cc1 ZINC000274909986 1015610830 /nfs/dbraw/zinc/61/08/30/1015610830.db2.gz KHTKGDUSUCMDIJ-UHFFFAOYSA-N -1 0 326.396 3.758 20 0 EHADRM CC(C)[C@@H](CCc1ccccc1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001590980398 991131204 /nfs/dbraw/zinc/13/12/04/991131204.db2.gz CEMVWFVXXILHTF-RTBURBONSA-N -1 0 345.483 3.995 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)NC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001590993711 991214264 /nfs/dbraw/zinc/21/42/64/991214264.db2.gz PQBDBCLCHKZMQV-MRXNPFEDSA-N -1 0 344.386 3.913 20 0 EHADRM COc1ccccc1C1(C(=O)OCc2ccc(C(=O)[O-])s2)CCC1 ZINC001599702107 991235422 /nfs/dbraw/zinc/23/54/22/991235422.db2.gz ISMWZTRGAXUAGD-UHFFFAOYSA-N -1 0 346.404 3.620 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)c1ccc(F)c2occc21 ZINC001598300606 991246129 /nfs/dbraw/zinc/24/61/29/991246129.db2.gz SOZIMXVHUDQLRL-UHFFFAOYSA-N -1 0 342.326 3.588 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)c1sccc1C(F)F ZINC001598300991 991251283 /nfs/dbraw/zinc/25/12/83/991251283.db2.gz ISIVKJZNRPAXSS-UHFFFAOYSA-N -1 0 340.351 3.702 20 0 EHADRM COc1ccccc1[C@H]1CCCN1c1ncc(C(=O)[O-])cc1Cl ZINC001599703589 991259495 /nfs/dbraw/zinc/25/94/95/991259495.db2.gz HOQPZIIGOJBGPE-CQSZACIVSA-N -1 0 332.787 3.783 20 0 EHADRM CN(C)c1cc(NCc2[nH]cc(C(=O)[O-])c2C2CC2)ccc1Cl ZINC001598307723 991276840 /nfs/dbraw/zinc/27/68/40/991276840.db2.gz HPIUORQLXFAKAP-UHFFFAOYSA-N -1 0 333.819 3.922 20 0 EHADRM CN(C)c1ccc(-n2ccnc2SCc2cc(C(=O)[O-])co2)cc1 ZINC001598308050 991280005 /nfs/dbraw/zinc/28/00/05/991280005.db2.gz VVLTUGNKUBZEAJ-UHFFFAOYSA-N -1 0 343.408 3.522 20 0 EHADRM CN(C)c1ccc(NCc2ncc(C(=O)[O-])s2)cc1C(F)(F)F ZINC001598324997 991341078 /nfs/dbraw/zinc/34/10/78/991341078.db2.gz BGGXRTJQXCDICG-UHFFFAOYSA-N -1 0 345.346 3.538 20 0 EHADRM CC(C)[C@@H](OC(=O)c1cscc1C(=O)[O-])C(=O)c1ccccc1 ZINC001591045633 991423695 /nfs/dbraw/zinc/42/36/95/991423695.db2.gz MHPQBUYYBKGSFO-OAHLLOKOSA-N -1 0 332.377 3.511 20 0 EHADRM CC(C)[C@@H](OC(=O)c1cc(C(=O)[O-])ccn1)c1ccc(F)c(F)c1 ZINC001591046949 991438262 /nfs/dbraw/zinc/43/82/62/991438262.db2.gz HXVNQWWWFRLIHD-OAHLLOKOSA-N -1 0 335.306 3.612 20 0 EHADRM COc1ccccc1[C@H](C)OC(=O)CCc1ccccc1C(=O)[O-] ZINC001599719478 991512546 /nfs/dbraw/zinc/51/25/46/991512546.db2.gz QOCRSKMGXRYTAF-ZDUSSCGKSA-N -1 0 328.364 3.630 20 0 EHADRM CC(C)[C@H]1C[C@@H](C(=O)Nc2cccc3cc(C(=O)[O-])sc32)CCO1 ZINC001591071608 991530112 /nfs/dbraw/zinc/53/01/12/991530112.db2.gz DXBRAFUASLCTSD-GXTWGEPZSA-N -1 0 347.436 3.989 20 0 EHADRM CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)CC1 ZINC001591080712 991585390 /nfs/dbraw/zinc/58/53/90/991585390.db2.gz BKMHBYMRZJAIMB-GVDBMIGSSA-N -1 0 338.492 3.878 20 0 EHADRM CC(C)C1CCC(CNC(=O)CCc2ccccc2C(=O)[O-])CC1 ZINC001591080559 991585467 /nfs/dbraw/zinc/58/54/67/991585467.db2.gz TYLJZRFFBDQCOL-UHFFFAOYSA-N -1 0 331.456 3.896 20 0 EHADRM CC(C)[C@H]1CCC[C@H](NC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)C1 ZINC001591082241 991597618 /nfs/dbraw/zinc/59/76/18/991597618.db2.gz RHBZUDLYYFPUQM-KSSFIOAISA-N -1 0 344.455 3.667 20 0 EHADRM CC(C)[C@@H]1CCCN(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CC1 ZINC001591086673 991602327 /nfs/dbraw/zinc/60/23/27/991602327.db2.gz ARCMYQWZGOKOEN-CYBMUJFWSA-N -1 0 336.407 3.743 20 0 EHADRM CC(C)[C@H]1CN(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])[C@H]1C(C)C ZINC001591093400 991658997 /nfs/dbraw/zinc/65/89/97/991658997.db2.gz SFZKNTMXAVDEHI-BEFAXECRSA-N -1 0 342.439 3.548 20 0 EHADRM CC(C)[C@@H]1N(C(=O)Nc2ccc(CC(=O)[O-])cc2)CC12CC=CC2 ZINC001591098611 991703014 /nfs/dbraw/zinc/70/30/14/991703014.db2.gz HFLZCGUPAYXIKW-KRWDZBQOSA-N -1 0 328.412 3.522 20 0 EHADRM COc1nc(N2CCC[C@H]2c2ccc(Cl)cc2)ccc1C(=O)[O-] ZINC001599731048 991710880 /nfs/dbraw/zinc/71/08/80/991710880.db2.gz SHXUKBXPGUIFEG-AWEZNQCLSA-N -1 0 332.787 3.783 20 0 EHADRM CC(C)[C@H]1N(C(=O)c2ccc(C(=O)[O-])cc2F)CC12CCCCC2 ZINC001591099848 991716112 /nfs/dbraw/zinc/71/61/12/991716112.db2.gz QWNXSZAEGUDVJX-MRXNPFEDSA-N -1 0 333.403 3.955 20 0 EHADRM CC(C)[C@@H]1N(C(=O)/C=C/c2cc(C(=O)[O-])co2)CC12CCCCC2 ZINC001591099961 991717596 /nfs/dbraw/zinc/71/75/96/991717596.db2.gz SPBOKWUSUAXYFG-LXXRFIIISA-N -1 0 331.412 3.808 20 0 EHADRM CC(C)[C@H]1N(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC12CCCC2 ZINC001591099917 991717641 /nfs/dbraw/zinc/71/76/41/991717641.db2.gz RXJPXUMDWXQYGB-VNCLNFNDSA-N -1 0 333.472 3.839 20 0 EHADRM CC(C)[C@H]1c2ccccc2CCN1C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001591104566 991729470 /nfs/dbraw/zinc/72/94/70/991729470.db2.gz HSHROEPMXBSEKU-FQQSSWHASA-N -1 0 339.391 3.773 20 0 EHADRM CC(C)C[C@H](C)C(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001591130107 991820630 /nfs/dbraw/zinc/82/06/30/991820630.db2.gz FYVFVBMYOUXVJV-QMMMGPOBSA-N -1 0 346.196 3.907 20 0 EHADRM CC(C)C[C@H](C)C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001591131658 991828088 /nfs/dbraw/zinc/82/80/88/991828088.db2.gz WKELVFORDVOCBM-VBNZEHGJSA-N -1 0 337.847 3.649 20 0 EHADRM CC(C)C[C@@H](C)n1nccc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001591139141 991863408 /nfs/dbraw/zinc/86/34/08/991863408.db2.gz ZBCWNNLLIPQNSE-CQSZACIVSA-N -1 0 335.448 3.854 20 0 EHADRM CC(C)C[C@H](NC(=O)Nc1cccc(CC(=O)[O-])n1)c1ccccc1 ZINC001591178718 991977621 /nfs/dbraw/zinc/97/76/21/991977621.db2.gz UVLASTGBRUJTPH-INIZCTEOSA-N -1 0 341.411 3.618 20 0 EHADRM CC(C)CC[C@@H]1CCC[C@@H]1Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001591227387 992098343 /nfs/dbraw/zinc/09/83/43/992098343.db2.gz FGTAODQSAJXQGB-YOEHRIQHSA-N -1 0 332.444 3.518 20 0 EHADRM CC(C)CCOc1ccc(NCc2ccc(C(=O)[O-])n2C)c(F)c1 ZINC001591259631 992162938 /nfs/dbraw/zinc/16/29/38/992162938.db2.gz BOFMTGCWYPHYNY-UHFFFAOYSA-N -1 0 334.391 3.899 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)[C@H](c1ccncc1)C1CCCCC1 ZINC001591321574 992288316 /nfs/dbraw/zinc/28/83/16/992288316.db2.gz ATYGUXCFJRVINL-IBGZPJMESA-N -1 0 346.471 3.705 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)/C=C/c1cc(Cl)cc(Cl)c1 ZINC001591323926 992298226 /nfs/dbraw/zinc/29/82/26/992298226.db2.gz ZQJAUNCZKOCEBR-ONEGZZNKSA-N -1 0 344.238 3.966 20 0 EHADRM CS[C@H](C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-])c1ccccc1 ZINC001599779679 992348597 /nfs/dbraw/zinc/34/85/97/992348597.db2.gz DKIUJCCNJMYXRQ-XYPHTWIQSA-N -1 0 343.448 3.669 20 0 EHADRM C[S@](=O)c1ccc(N[C@@H]2CCC[C@@H](CCCC(=O)[O-])C2)cc1F ZINC001599780747 992360799 /nfs/dbraw/zinc/36/07/99/992360799.db2.gz VCFWSQMSDIJADF-BTELXILVSA-N -1 0 341.448 3.789 20 0 EHADRM CS[C@@H](C)CCC(=O)Oc1ccc(C(=O)[O-])cc1Br ZINC001599782416 992382465 /nfs/dbraw/zinc/38/24/65/992382465.db2.gz AZVMQIKJTUKITG-QMMMGPOBSA-N -1 0 347.230 3.584 20 0 EHADRM CC(C)COC[C@H](N[C@@H](C(=O)[O-])c1ccccc1F)c1ccco1 ZINC001591390686 992445512 /nfs/dbraw/zinc/44/55/12/992445512.db2.gz JRUWZDMQTFRBAU-DOTOQJQBSA-N -1 0 335.375 3.548 20 0 EHADRM CC(C)COc1ccc([C@@H](C)OC(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC001591401865 992478065 /nfs/dbraw/zinc/47/80/65/992478065.db2.gz VLOLONOKXDPHDW-GFCCVEGCSA-N -1 0 332.352 3.931 20 0 EHADRM CC(C)C[C@@H]1C[C@H]1NC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001591444530 992541315 /nfs/dbraw/zinc/54/13/15/992541315.db2.gz GGSGALPVAPJPCP-IUODEOHRSA-N -1 0 336.457 3.810 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cccc2c1CCCCC2 ZINC001598512090 992574731 /nfs/dbraw/zinc/57/47/31/992574731.db2.gz JPYXCDYYBRZFRX-UHFFFAOYSA-N -1 0 337.419 3.926 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1sccc1C(F)F ZINC001598513441 992590831 /nfs/dbraw/zinc/59/08/31/992590831.db2.gz VZLCQPRQMUWNHE-UHFFFAOYSA-N -1 0 325.336 3.656 20 0 EHADRM CC(C)Cc1ccc(C(=O)Oc2ccc(CC(=O)[O-])cc2F)cc1 ZINC001591483741 992605028 /nfs/dbraw/zinc/60/50/28/992605028.db2.gz GEXJBXQDNOEKKA-UHFFFAOYSA-N -1 0 330.355 3.871 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)NCc2ccc(C(=O)[O-])s2)cc1 ZINC001591484528 992611292 /nfs/dbraw/zinc/61/12/92/992611292.db2.gz ZOQOSUYZDUUBAA-UHFFFAOYSA-N -1 0 345.464 3.894 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)cc1 ZINC001591489785 992621214 /nfs/dbraw/zinc/62/12/14/992621214.db2.gz XNFFBAOKOHFCOQ-AVYPCKFXSA-N -1 0 331.456 3.558 20 0 EHADRM CN(Cc1nc2cc(C(=O)[O-])ccc2[nH]1)Cc1ccc(F)c(Cl)c1 ZINC001598517198 992631081 /nfs/dbraw/zinc/63/10/81/992631081.db2.gz ARLDVLPVCVSXMU-UHFFFAOYSA-N -1 0 347.777 3.686 20 0 EHADRM CC(C)Cc1ncc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)s1 ZINC001591497022 992631689 /nfs/dbraw/zinc/63/16/89/992631689.db2.gz SKVHEZGSIKZXPD-UHFFFAOYSA-N -1 0 346.452 3.956 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)N[C@H]3CCC[C@H]3C(=O)[O-])ccc21 ZINC001591521694 992692200 /nfs/dbraw/zinc/69/22/00/992692200.db2.gz PUDRZVSOSGBHOS-CVEARBPZSA-N -1 0 343.427 3.672 20 0 EHADRM CC(C)N(C(=O)/C=C/c1ccc(C(=O)[O-])o1)[C@H](C)c1ccccc1 ZINC001591539088 992719429 /nfs/dbraw/zinc/71/94/29/992719429.db2.gz UQSPCLOJUBXOFJ-IEZBTEQYSA-N -1 0 327.380 3.989 20 0 EHADRM CN(Cc1ccccc1-c1ccccc1)C(=S)NCCCC(=O)[O-] ZINC001598529506 992761159 /nfs/dbraw/zinc/76/11/59/992761159.db2.gz ATDBRFPNDFOIBD-UHFFFAOYSA-N -1 0 342.464 3.525 20 0 EHADRM CN(Cc1ccccc1F)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001598530086 992769255 /nfs/dbraw/zinc/76/92/55/992769255.db2.gz JHRNXBDPMQCUSZ-UHFFFAOYSA-N -1 0 341.342 3.669 20 0 EHADRM CN(Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)c1c(F)cccc1F ZINC001598532778 992805213 /nfs/dbraw/zinc/80/52/13/992805213.db2.gz AQQPOJSUUCJLQM-UHFFFAOYSA-N -1 0 344.317 3.954 20 0 EHADRM CN(Cc1nc2ccccc2s1)c1ncc(C(=O)[O-])cc1Cl ZINC001598537751 992860336 /nfs/dbraw/zinc/86/03/36/992860336.db2.gz LVYUJPPJQXBZJR-UHFFFAOYSA-N -1 0 333.800 3.679 20 0 EHADRM COc1cccc2[nH]cc(CC(=O)Nc3cccc(Cl)c3[O-])c21 ZINC000182734786 1032125509 /nfs/dbraw/zinc/12/55/09/1032125509.db2.gz YJGKZHVYKXELQV-UHFFFAOYSA-N -1 0 330.771 3.717 20 0 EHADRM CCC(C)(C)CC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000075028100 1015771669 /nfs/dbraw/zinc/77/16/69/1015771669.db2.gz HIDLVZCGFUINJK-UHFFFAOYSA-N -1 0 348.808 3.720 20 0 EHADRM COc1ccc(N(C)C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1Cl ZINC001599582902 993574523 /nfs/dbraw/zinc/57/45/23/993574523.db2.gz IKDRODDVCXQBDL-UHFFFAOYSA-N -1 0 348.786 3.644 20 0 EHADRM C[C@@H](NC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1)c1cc2ccccc2s1 ZINC001593073054 993632357 /nfs/dbraw/zinc/63/23/57/993632357.db2.gz XKLSECXICYMLKL-YRGRVCCFSA-N -1 0 346.452 3.715 20 0 EHADRM COc1ccc(NC(=O)CC(C2CCC2)C2CCC2)c(C(=O)[O-])c1 ZINC001599590515 993674505 /nfs/dbraw/zinc/67/45/05/993674505.db2.gz YVFRRTAPQQTFGJ-UHFFFAOYSA-N -1 0 331.412 3.938 20 0 EHADRM COc1ccc(NC(=O)c2ccc(-c3ccccc3)o2)c(C(=O)[O-])c1 ZINC001599596157 993751482 /nfs/dbraw/zinc/75/14/82/993751482.db2.gz AEHCPYNUYQWLST-UHFFFAOYSA-N -1 0 337.331 3.906 20 0 EHADRM COc1ccc(NC(=O)c2ccc(C)c3cccnc23)c(C(=O)[O-])c1 ZINC001599596257 993751987 /nfs/dbraw/zinc/75/19/87/993751987.db2.gz JWFIQWSDCVBKBK-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM C[C@@H](NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)[C@H](C)c1ccccc1 ZINC001593112629 993787715 /nfs/dbraw/zinc/78/77/15/993787715.db2.gz OOETYWBTGPFFDX-WDEREUQCSA-N -1 0 348.349 3.977 20 0 EHADRM C[C@H](c1ccccc1)[C@H](C)NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001593112627 993787949 /nfs/dbraw/zinc/78/79/49/993787949.db2.gz OOETYWBTGPFFDX-QWRGUYRKSA-N -1 0 348.349 3.977 20 0 EHADRM COc1ccc(N[C@H](C(=O)[O-])c2ccccc2F)cc1OC(C)C ZINC001599599445 993794460 /nfs/dbraw/zinc/79/44/60/993794460.db2.gz RMMAMQKEWFPRAL-KRWDZBQOSA-N -1 0 333.359 3.859 20 0 EHADRM COc1ccc(OC(C)(C)C(=O)Nc2sc(C)cc2C(=O)[O-])cc1 ZINC001599600403 993807921 /nfs/dbraw/zinc/80/79/21/993807921.db2.gz JPKBAEKWDUYZQH-UHFFFAOYSA-N -1 0 349.408 3.559 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(C(=O)[O-])s1)c1c(F)cccc1F ZINC001593118001 993821811 /nfs/dbraw/zinc/82/18/11/993821811.db2.gz YOZADLVDABCXFR-ZETCQYMHSA-N -1 0 326.324 3.607 20 0 EHADRM C[C@H](NC(=O)Nc1cccc2cc(C(=O)[O-])sc21)c1ccns1 ZINC001593118154 993824461 /nfs/dbraw/zinc/82/44/61/993824461.db2.gz DYARKQRBMMWCRU-QMMMGPOBSA-N -1 0 347.421 3.939 20 0 EHADRM COc1ccc(OC[C@@H]2CCCC[C@H]2C(=O)[O-])c(Br)c1 ZINC001599605276 993876114 /nfs/dbraw/zinc/87/61/14/993876114.db2.gz FWAWOGUVINCHHT-CMPLNLGQSA-N -1 0 343.217 3.728 20 0 EHADRM COc1ccc(SCCN2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC001599619153 994056791 /nfs/dbraw/zinc/05/67/91/994056791.db2.gz FQMMMEOQVXHJOS-UHFFFAOYSA-N -1 0 329.421 3.501 20 0 EHADRM COc1ccc([C@H](C)Nc2ncc(C(=O)[O-])cc2Cl)c(OC)c1 ZINC001599621693 994092429 /nfs/dbraw/zinc/09/24/29/994092429.db2.gz QWOGKZHJECCBPU-VIFPVBQESA-N -1 0 336.775 3.624 20 0 EHADRM C[C@H](N[C@@H](C(=O)[O-])c1ccsc1)c1ccc(NC(=O)C2CC2)cc1 ZINC001593194309 994133050 /nfs/dbraw/zinc/13/30/50/994133050.db2.gz DULCWERVZVAIPM-MEDUHNTESA-N -1 0 344.436 3.573 20 0 EHADRM O=C(N[C@@H]1CCC[C@H]1Cc1ccccc1)c1cc(F)c(F)c([O-])c1F ZINC000180041895 1015839471 /nfs/dbraw/zinc/83/94/71/1015839471.db2.gz QFJAKOUPLOUIPJ-SWLSCSKDSA-N -1 0 349.352 3.951 20 0 EHADRM C[C@@H](N[C@@H](CO)c1cccc(Cl)c1Cl)c1ccc(C(=O)[O-])o1 ZINC001593208747 994229795 /nfs/dbraw/zinc/22/97/95/994229795.db2.gz JHFNUTYKLXQKFT-KCJUWKMLSA-N -1 0 344.194 3.669 20 0 EHADRM C[C@H](N[C@H]1CCCn2nc(C(=O)[O-])cc21)c1nc(C(C)(C)C)cs1 ZINC001593218813 994291793 /nfs/dbraw/zinc/29/17/93/994291793.db2.gz KWKLGTXHYJFHPL-QWRGUYRKSA-N -1 0 348.472 3.521 20 0 EHADRM COc1ccc2oc(C)c(C(=O)O[C@H](C(=O)[O-])c3ccccc3)c2c1 ZINC001599637554 994311636 /nfs/dbraw/zinc/31/16/36/994311636.db2.gz NWMWDLDUHCKYHE-KRWDZBQOSA-N -1 0 340.331 3.733 20 0 EHADRM COc1cccc(C(=O)Nc2c(Cl)ccc(F)c2C(=O)[O-])c1C ZINC001599642712 994382072 /nfs/dbraw/zinc/38/20/72/994382072.db2.gz MRYJFNGLBYRQHC-UHFFFAOYSA-N -1 0 337.734 3.747 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1cc(C2CC2)oc1C1CC1 ZINC001599643612 994392468 /nfs/dbraw/zinc/39/24/68/994392468.db2.gz LKUAYLLFYWZFMY-UHFFFAOYSA-N -1 0 342.347 3.960 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCc2ccc(Cl)cc21 ZINC000180114782 1015859753 /nfs/dbraw/zinc/85/97/53/1015859753.db2.gz ZJCTXRVRAASIFK-UHFFFAOYSA-N -1 0 327.689 3.666 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)[C@@H](C)c1cccc(Cl)c1 ZINC001599646507 994432291 /nfs/dbraw/zinc/43/22/91/994432291.db2.gz XWWIGROOWDLILT-NSHDSACASA-N -1 0 347.798 3.813 20 0 EHADRM COc1cccc([C@H](C)C(=O)O[C@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC001599654570 994556657 /nfs/dbraw/zinc/55/66/57/994556657.db2.gz RNWQCJHNJOQRAH-ZBEGNZNMSA-N -1 0 348.782 3.821 20 0 EHADRM COc1cccc([C@@H](C)CCCC(=O)Nc2cc(C(=O)[O-])n(C)c2)c1 ZINC001599655419 994571584 /nfs/dbraw/zinc/57/15/84/994571584.db2.gz QIDGEXYVTHKESP-ZDUSSCGKSA-N -1 0 344.411 3.644 20 0 EHADRM COc1cccc([C@@H](C)CCCC(=O)Nc2cc(C(=O)[O-])ccn2)c1 ZINC001599655719 994576613 /nfs/dbraw/zinc/57/66/13/994576613.db2.gz XZAZCINWTSVTJY-ZDUSSCGKSA-N -1 0 342.395 3.701 20 0 EHADRM COc1cccc([C@@H](N[C@H](C(F)F)C2CCCCC2)C(=O)[O-])c1 ZINC001599656430 994588431 /nfs/dbraw/zinc/58/84/31/994588431.db2.gz HNVASLPNKMRIPX-LSDHHAIUSA-N -1 0 327.371 3.625 20 0 EHADRM COc1cccc([C@@H](Nc2ccn(C3CCCCC3)n2)C(=O)[O-])c1 ZINC001599659688 994635805 /nfs/dbraw/zinc/63/58/05/994635805.db2.gz MHYHXXGHWJMTTE-QGZVFWFLSA-N -1 0 329.400 3.635 20 0 EHADRM C[C@@H](NCc1cc(C(=O)[O-])ccc1Cl)c1cnn(CC2CCC2)c1 ZINC001593288524 994657965 /nfs/dbraw/zinc/65/79/65/994657965.db2.gz LCOPGFIPRQUVKH-GFCCVEGCSA-N -1 0 347.846 3.886 20 0 EHADRM C[C@H](NCc1ccc(C(=O)[O-])c(F)c1)c1nc(C2CCCCC2)no1 ZINC001593291826 994672039 /nfs/dbraw/zinc/67/20/39/994672039.db2.gz CQEUWLXRLHXLFG-NSHDSACASA-N -1 0 347.390 3.805 20 0 EHADRM C[C@@H](NCc1ccc(C(=O)[O-])cc1F)c1nc2ccccc2s1 ZINC001593296429 994696720 /nfs/dbraw/zinc/69/67/20/994696720.db2.gz LROULNLRSWHYKQ-SNVBAGLBSA-N -1 0 330.384 3.984 20 0 EHADRM C[C@@H](NCc1coc(-c2ccccc2)n1)c1cc(C(=O)[O-])cs1 ZINC001593311525 994784727 /nfs/dbraw/zinc/78/47/27/994784727.db2.gz GXLUYCBNBFACDO-LLVKDONJSA-N -1 0 328.393 3.952 20 0 EHADRM C[C@H](NCc1nc(C(=O)[O-])cs1)c1cccc(Cl)c1Cl ZINC001593312166 994796702 /nfs/dbraw/zinc/79/67/02/994796702.db2.gz PVCCJMUJATUVOX-ZETCQYMHSA-N -1 0 331.224 3.999 20 0 EHADRM C[C@@](NCc1cscn1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593312540 994802230 /nfs/dbraw/zinc/80/22/30/994802230.db2.gz WHGSZUYHCKZCSS-ZDUSSCGKSA-N -1 0 331.224 3.540 20 0 EHADRM C[C@](NCc1nc2ccccc2n1C(F)F)(C(=O)[O-])c1ccccc1 ZINC001593316004 994808920 /nfs/dbraw/zinc/80/89/20/994808920.db2.gz DVZCNQPOPGSSHZ-GOSISDBHSA-N -1 0 345.349 3.521 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1)c1ccc(Cl)nc1 ZINC000016101155 1015893433 /nfs/dbraw/zinc/89/34/33/1015893433.db2.gz LGHSKVJDHLBYRU-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM COc1cccc(Cl)c1CNCc1cc(C(=O)[O-])ccc1Cl ZINC001599675877 994896108 /nfs/dbraw/zinc/89/61/08/994896108.db2.gz AXZGHIYIJZWXSJ-UHFFFAOYSA-N -1 0 340.206 3.990 20 0 EHADRM COc1cccc(NCc2cc(C(=O)[O-])oc2C)c1Br ZINC001599679808 994960066 /nfs/dbraw/zinc/96/00/66/994960066.db2.gz JNNZQUFKRUDQOZ-UHFFFAOYSA-N -1 0 340.173 3.669 20 0 EHADRM COc1cccc(Oc2ccc(Nc3ncncc3C(=O)[O-])cc2)c1 ZINC001599681381 994988079 /nfs/dbraw/zinc/98/80/79/994988079.db2.gz SEAIGHXKGAWDGG-UHFFFAOYSA-N -1 0 337.335 3.719 20 0 EHADRM COc1cccc(OC)c1CNc1cc(C(=O)[O-])cc2cccnc21 ZINC001599682028 994997617 /nfs/dbraw/zinc/99/76/17/994997617.db2.gz IVAQSMGSFPREDS-UHFFFAOYSA-N -1 0 338.363 3.562 20 0 EHADRM C[C@H](Nc1nc2ccccc2n1CC1CC1)c1ncc(C(=O)[O-])s1 ZINC001593374172 995072178 /nfs/dbraw/zinc/07/21/78/995072178.db2.gz PJNQGTXLQMENHF-JTQLQIEISA-N -1 0 342.424 3.774 20 0 EHADRM C[C@@H](Nc1nc2ccccc2n1C1CC1)c1ncc(C(=O)[O-])s1 ZINC001593374318 995073454 /nfs/dbraw/zinc/07/34/54/995073454.db2.gz RCOKYTBMIRAYGP-SECBINFHSA-N -1 0 328.397 3.699 20 0 EHADRM COC(=O)[C@@H](NCc1ccc(C(C)C)cc1)c1cccc(C(=O)[O-])c1 ZINC001598708546 995318833 /nfs/dbraw/zinc/31/88/33/995318833.db2.gz FMIONXBWAJVTBD-SFHVURJKSA-N -1 0 341.407 3.512 20 0 EHADRM COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N(C)C[C@@H](C)C1CCCCC1 ZINC001598711277 995350941 /nfs/dbraw/zinc/35/09/41/995350941.db2.gz DHMSLVNDNPBDME-KDOFPFPSSA-N -1 0 347.455 3.747 20 0 EHADRM COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N(C)C[C@H](C)C1CCCCC1 ZINC001598711281 995351041 /nfs/dbraw/zinc/35/10/41/995351041.db2.gz DHMSLVNDNPBDME-KSSFIOAISA-N -1 0 347.455 3.747 20 0 EHADRM C[C@@H](OC(=O)[C@H](Sc1ccc(F)cc1)c1ccccc1)C(=O)[O-] ZINC001593490549 995456320 /nfs/dbraw/zinc/45/63/20/995456320.db2.gz DTPNHDUOMNCPOH-IAQYHMDHSA-N -1 0 334.368 3.675 20 0 EHADRM C[C@H](OC(=O)C1(C(=O)[O-])CC1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001593490773 995457505 /nfs/dbraw/zinc/45/75/05/995457505.db2.gz HAPHQMPXVVUILE-ZETCQYMHSA-N -1 0 336.693 3.828 20 0 EHADRM C[C@H](OC(=O)[C@H]1C[C@]12CCCc1ccccc12)c1cc(C(=O)[O-])co1 ZINC001593502552 995509085 /nfs/dbraw/zinc/50/90/85/995509085.db2.gz WTVBCZRIJGLZKA-KRYHZZBUSA-N -1 0 340.375 3.876 20 0 EHADRM C[C@H](OC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ncc(C(C)(C)C)o1 ZINC001593512786 995518767 /nfs/dbraw/zinc/51/87/67/995518767.db2.gz BKTDAEXOUCQYIR-ZEBCKKTISA-N -1 0 333.340 3.581 20 0 EHADRM C[C@@H](OC(=O)[C@H]1CCSc2ccccc21)c1cc(C(=O)[O-])co1 ZINC001593513158 995520945 /nfs/dbraw/zinc/52/09/45/995520945.db2.gz DCNDCSWUEPCBOX-MFKMUULPSA-N -1 0 332.377 3.862 20 0 EHADRM C[C@H](OC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1csc(C2CC2)n1 ZINC001593513593 995524818 /nfs/dbraw/zinc/52/48/18/995524818.db2.gz FXBAYRAHIITEDJ-PGBBXKAQSA-N -1 0 333.365 3.629 20 0 EHADRM C[C@@H](OC(=O)CC(C)(C)CC(=O)[O-])c1ccc(Br)cc1 ZINC001593514840 995535031 /nfs/dbraw/zinc/53/50/31/995535031.db2.gz KNRXTGDPYPQJAF-SNVBAGLBSA-N -1 0 343.217 3.944 20 0 EHADRM C[C@H](OC(=O)CCc1cnc2ccccc2c1)c1ccc(C(=O)[O-])o1 ZINC001593527762 995573965 /nfs/dbraw/zinc/57/39/65/995573965.db2.gz NGJWJFQPKQMVKW-LBPRGKRZSA-N -1 0 339.347 3.763 20 0 EHADRM C[C@H](OC(=O)Cc1cc(Cl)ccc1Cl)c1nc(C(=O)[O-])co1 ZINC001593534698 995590931 /nfs/dbraw/zinc/59/09/31/995590931.db2.gz HDSQGQGIYZLSIO-ZETCQYMHSA-N -1 0 344.150 3.527 20 0 EHADRM C[C@H](OC(=O)c1cc(Cl)nc(Cl)c1)c1cc(C(=O)[O-])co1 ZINC001593566425 995662808 /nfs/dbraw/zinc/66/28/08/995662808.db2.gz ZAESLBFCBFYHDP-LURJTMIESA-N -1 0 330.123 3.598 20 0 EHADRM C[C@@H](OC(=O)c1ccc(C(F)F)cc1F)c1ccc(C(=O)[O-])o1 ZINC001593578570 995687379 /nfs/dbraw/zinc/68/73/79/995687379.db2.gz DEYDHJJCWUJSSW-SSDOTTSWSA-N -1 0 328.242 3.973 20 0 EHADRM C[C@@H](OC1CCCCC1)C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001593603114 995767682 /nfs/dbraw/zinc/76/76/82/995767682.db2.gz PWBSKEQUNFFBLO-IAQYHMDHSA-N -1 0 340.803 3.747 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC001593603285 995768441 /nfs/dbraw/zinc/76/84/41/995768441.db2.gz ROJDCZLTFCKIAK-CQSZACIVSA-N -1 0 345.439 3.792 20 0 EHADRM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](CC(C)(C)C)C(=O)[O-] ZINC001593612175 995813765 /nfs/dbraw/zinc/81/37/65/995813765.db2.gz LWJCAUWABODVHH-CZUORRHYSA-N -1 0 349.471 3.757 20 0 EHADRM C[C@@H](Oc1cccc(Cl)c1)c1nnc(-c2cccc(C(=O)[O-])n2)o1 ZINC001593639662 995942759 /nfs/dbraw/zinc/94/27/59/995942759.db2.gz QIOIYUBHACHULN-SECBINFHSA-N -1 0 345.742 3.623 20 0 EHADRM C[C@@H](Oc1ccccc1CNc1cccc(OC(F)F)c1)C(=O)[O-] ZINC001593650427 996005419 /nfs/dbraw/zinc/00/54/19/996005419.db2.gz APJSYAPNJQZXDV-LLVKDONJSA-N -1 0 337.322 3.752 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000327233938 1015994454 /nfs/dbraw/zinc/99/44/54/1015994454.db2.gz LHOQHRWBDYRZQY-FQEVSTJZSA-N -1 0 336.391 3.729 20 0 EHADRM C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001593651532 996012143 /nfs/dbraw/zinc/01/21/43/996012143.db2.gz OBEPGBFFZVORDC-SECBINFHSA-N -1 0 338.718 3.550 20 0 EHADRM C[C@H](SCCOc1cccc(C(=O)[O-])c1)C(=O)Nc1ccccc1 ZINC001593662037 996041222 /nfs/dbraw/zinc/04/12/22/996041222.db2.gz WSBJWZNDHQNJNZ-ZDUSSCGKSA-N -1 0 345.420 3.524 20 0 EHADRM C[C@@H](SCCOc1cccc(C(=O)[O-])c1)C(=O)Nc1ccccc1 ZINC001593662036 996041344 /nfs/dbraw/zinc/04/13/44/996041344.db2.gz WSBJWZNDHQNJNZ-CYBMUJFWSA-N -1 0 345.420 3.524 20 0 EHADRM C[C@@H](SCc1ccccc1C(=O)[O-])C(=O)N(C)C1CCCCC1 ZINC001593663415 996044758 /nfs/dbraw/zinc/04/47/58/996044758.db2.gz MYSGZVGEZZMSID-CYBMUJFWSA-N -1 0 335.469 3.798 20 0 EHADRM C[C@H](Sc1cc(C(=O)[O-])ncn1)c1cccc(Br)c1 ZINC001593664133 996049043 /nfs/dbraw/zinc/04/90/43/996049043.db2.gz HXPZBMCCIZTFON-QMMMGPOBSA-N -1 0 339.214 3.791 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N[C@H](C1CC1)C1CCC1)C(=O)[O-] ZINC001593668476 996063671 /nfs/dbraw/zinc/06/36/71/996063671.db2.gz DOUDQSJFAKOCAN-BZNIZROVSA-N -1 0 333.453 3.560 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)Nc1cc(F)ccc1F)C(=O)[O-] ZINC001593672064 996072875 /nfs/dbraw/zinc/07/28/75/996072875.db2.gz FGCOCSUEKZSHIP-SECBINFHSA-N -1 0 337.347 3.782 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)N(C)C1(C(=O)[O-])CCCC1 ZINC001593673266 996083185 /nfs/dbraw/zinc/08/31/85/996083185.db2.gz IIHODDQWLOUGKU-NSHDSACASA-N -1 0 341.860 3.676 20 0 EHADRM C[C@H](Sc1nc(-c2ccc(F)cc2)c[nH]1)c1nc(C(=O)[O-])co1 ZINC001593678786 996095455 /nfs/dbraw/zinc/09/54/55/996095455.db2.gz ADTSNCPYYVIKGV-QMMMGPOBSA-N -1 0 333.344 3.755 20 0 EHADRM C[C@H](c1c(F)cccc1F)N(C)CCOc1cccc(C(=O)[O-])c1 ZINC001593687882 996128831 /nfs/dbraw/zinc/12/88/31/996128831.db2.gz UZMPKQBTWFNAGA-GFCCVEGCSA-N -1 0 335.350 3.735 20 0 EHADRM C[C@H](c1ccc(COC(=O)[C@H]2CC[C@H]2C(=O)[O-])cc1)C(F)(F)F ZINC001593693871 996147204 /nfs/dbraw/zinc/14/72/04/996147204.db2.gz OWQGENCZCUAICV-WQAKAFBOSA-N -1 0 330.302 3.506 20 0 EHADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001593699313 996170241 /nfs/dbraw/zinc/17/02/41/996170241.db2.gz UUMGOSDZNVWICC-BXUZGUMPSA-N -1 0 338.835 3.543 20 0 EHADRM C[C@@H](c1ccccc1)N(C)C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001593710321 996208709 /nfs/dbraw/zinc/20/87/09/996208709.db2.gz LELISJUXIOGZRR-ZDUSSCGKSA-N -1 0 336.391 3.628 20 0 EHADRM C[C@H](c1ncc(C(=O)[O-])s1)N1CC(Cc2ccccc2Cl)C1 ZINC001593730865 996297543 /nfs/dbraw/zinc/29/75/43/996297543.db2.gz AGTKUAAIALZVOP-SNVBAGLBSA-N -1 0 336.844 3.730 20 0 EHADRM C[C@@H](c1nc2cc(Cl)ccc2[nH]1)N(C)Cc1ccoc1C(=O)[O-] ZINC001593733042 996317450 /nfs/dbraw/zinc/31/74/50/996317450.db2.gz BPQJSWGODQCIOK-VIFPVBQESA-N -1 0 333.775 3.701 20 0 EHADRM C[C@@H](c1ncc(C(=O)[O-])s1)N1CCc2c(F)cc(F)cc2[C@H]1C ZINC001593738323 996345496 /nfs/dbraw/zinc/34/54/96/996345496.db2.gz ZKJCFJNXPUFVGT-BDAKNGLRSA-N -1 0 338.379 3.800 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)Nc2cccc(-c3nccs3)c2)C1 ZINC001593771352 996464243 /nfs/dbraw/zinc/46/42/43/996464243.db2.gz PFMATLOQRRTVCN-KRWDZBQOSA-N -1 0 345.424 3.529 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(c2nc3cccc(OC(F)F)c3s2)C1 ZINC001593779218 996488979 /nfs/dbraw/zinc/48/89/79/996488979.db2.gz WLCPCZBOQBXIPM-HNNXBMFYSA-N -1 0 342.367 3.589 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(c2ccc(-c3ccc(Cl)s3)nn2)C1 ZINC001593779367 996489342 /nfs/dbraw/zinc/48/93/42/996489342.db2.gz YIWQGIVFYZZGRA-HNNXBMFYSA-N -1 0 337.832 3.550 20 0 EHADRM CC1(C)C(C)(C)C1(C)C(=O)Nc1ncc(C(=O)[O-])c2ccccc21 ZINC001593830120 996572370 /nfs/dbraw/zinc/57/23/70/996572370.db2.gz AKJJQJWQGKJEMZ-UHFFFAOYSA-N -1 0 326.396 3.944 20 0 EHADRM CC1(C)C(C)(C)C1(C)NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001593830989 996574361 /nfs/dbraw/zinc/57/43/61/996574361.db2.gz PDVYWRCISKTDQG-UHFFFAOYSA-N -1 0 326.343 3.609 20 0 EHADRM CC1(C)C[C@H](SCc2coc(-c3ccc(C(=O)[O-])cc3)n2)CO1 ZINC001593864298 996665707 /nfs/dbraw/zinc/66/57/07/996665707.db2.gz RHGFCQCVTRXLDX-AWEZNQCLSA-N -1 0 333.409 3.841 20 0 EHADRM CC1(C)C[C@]1(C(=O)N[C@H](CC1CCCCC1)C(=O)[O-])c1ccccc1 ZINC001593864527 996666751 /nfs/dbraw/zinc/66/67/51/996666751.db2.gz WQWOKUUPGXJSKF-DYESRHJHSA-N -1 0 343.467 3.894 20 0 EHADRM CC1(C)CCC(S[C@@H](CNC(=O)c2ccccc2)C(=O)[O-])CC1 ZINC001593883588 996716891 /nfs/dbraw/zinc/71/68/91/996716891.db2.gz MGWRXMDYYISZJR-HNNXBMFYSA-N -1 0 335.469 3.572 20 0 EHADRM CC1(C)CCC[C@@H]1C(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001593897734 996758468 /nfs/dbraw/zinc/75/84/68/996758468.db2.gz PYTUSHFWCIJRRW-OAHLLOKOSA-N -1 0 329.396 3.616 20 0 EHADRM COc1ccc(C(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1Cl ZINC001599481958 996786591 /nfs/dbraw/zinc/78/65/91/996786591.db2.gz NCBOIZSFHRSMRZ-INIZCTEOSA-N -1 0 347.798 3.521 20 0 EHADRM CC1(C)CCCc2sc(NC(=O)c3ccc(C(=O)[O-])s3)nc21 ZINC001593911121 996800368 /nfs/dbraw/zinc/80/03/68/996800368.db2.gz XPLZPQDZUUYHFG-UHFFFAOYSA-N -1 0 336.438 3.769 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCc1cccc(OC(C)(C)C)n1 ZINC001599380149 996823620 /nfs/dbraw/zinc/82/36/20/996823620.db2.gz YGGNGHXQTZAPDH-UHFFFAOYSA-N -1 0 331.368 3.545 20 0 EHADRM COc1ccc(C(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])c(C)c1 ZINC001599485818 996847071 /nfs/dbraw/zinc/84/70/71/996847071.db2.gz INZLPQJDOZZEQW-UHFFFAOYSA-N -1 0 333.771 3.916 20 0 EHADRM COCc1c2ccccc2oc1C(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC001599278552 996853515 /nfs/dbraw/zinc/85/35/15/996853515.db2.gz NTMUXHUMTMMMOY-MRXNPFEDSA-N -1 0 340.331 3.562 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)/C=C\c2cc(C)c(C)cc2C)c1 ZINC001599488234 996891715 /nfs/dbraw/zinc/89/17/15/996891715.db2.gz VUNBLIHOUFOCQM-YVMONPNESA-N -1 0 339.391 3.971 20 0 EHADRM C[C@H](Oc1cccc2ccccc21)C(=O)[N-]OCCC(F)(F)F ZINC000278723329 1032138006 /nfs/dbraw/zinc/13/80/06/1032138006.db2.gz XTVAUCBHAVHRRN-NSHDSACASA-N -1 0 327.302 3.607 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)C2CC3(C2)CCCCC3)c1F ZINC001599490217 996925179 /nfs/dbraw/zinc/92/51/79/996925179.db2.gz ULROLKQSCKWFFG-UHFFFAOYSA-N -1 0 335.375 3.832 20 0 EHADRM CC1(C)CN(Cc2ccccc2OCC(=O)[O-])c2cc(F)ccc21 ZINC001593944745 996979725 /nfs/dbraw/zinc/97/97/25/996979725.db2.gz CYJHLDKAUOVJOQ-UHFFFAOYSA-N -1 0 329.371 3.587 20 0 EHADRM COCc1cc(NC(=O)N2C[C@H](C)CCC[C@@H]2C)cc(C(=O)[O-])c1 ZINC001599286435 996986398 /nfs/dbraw/zinc/98/63/98/996986398.db2.gz YCZSKYBSBIMWNP-OLZOCXBDSA-N -1 0 334.416 3.574 20 0 EHADRM COCc1cc(NC(=O)N[C@H]2CCCC(C)(C)C2)cc(C(=O)[O-])c1 ZINC001599287917 997012837 /nfs/dbraw/zinc/01/28/37/997012837.db2.gz VHNKSPVDZGZMRM-AWEZNQCLSA-N -1 0 334.416 3.622 20 0 EHADRM COc1cc(C)c(C(=O)Nc2cccc(C(=O)[O-])c2Cl)cc1OC ZINC001599389987 997015346 /nfs/dbraw/zinc/01/53/46/997015346.db2.gz OYOREQSLDMPHGR-UHFFFAOYSA-N -1 0 349.770 3.616 20 0 EHADRM COc1cc(C)c(C)cc1NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC001599390527 997025245 /nfs/dbraw/zinc/02/52/45/997025245.db2.gz BGCRNSJIMOCBHH-UHFFFAOYSA-N -1 0 340.379 3.558 20 0 EHADRM COc1cc(C)c([C@H](C)OC(=O)c2c(C)coc2CC(=O)[O-])cc1C ZINC001599390778 997031371 /nfs/dbraw/zinc/03/13/71/997031371.db2.gz OFYUVSZDEJGWHK-ZDUSSCGKSA-N -1 0 346.379 3.759 20 0 EHADRM COCc1cc(NC(=O)c2c(C)cccc2Cl)cc(C(=O)[O-])c1 ZINC001599289164 997032993 /nfs/dbraw/zinc/03/29/93/997032993.db2.gz WOOAUIOUGWBVAB-UHFFFAOYSA-N -1 0 333.771 3.745 20 0 EHADRM CC1(C)CO[C@H](CCC(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC001593955466 997057326 /nfs/dbraw/zinc/05/73/26/997057326.db2.gz WXSHBIZCIVFPAN-LLVKDONJSA-N -1 0 326.776 3.539 20 0 EHADRM COc1cc(C)c(NC(=O)N[C@@H](CC(=O)[O-])C2CCCC2)c(C)c1C ZINC001599394007 997091494 /nfs/dbraw/zinc/09/14/94/997091494.db2.gz SVBMZRCWOJIUHS-HNNXBMFYSA-N -1 0 348.443 3.775 20 0 EHADRM COc1ccc(C(=O)[O-])cc1CN1CCCc2c(C)cc(C)cc21 ZINC001599500227 997104693 /nfs/dbraw/zinc/10/46/93/997104693.db2.gz MLFCPSIFIFALMQ-UHFFFAOYSA-N -1 0 325.408 3.963 20 0 EHADRM CO[C@@]1(C)CCCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC001599088400 997143069 /nfs/dbraw/zinc/14/30/69/997143069.db2.gz UNNAQVLCSINFQE-HIFRSBDPSA-N -1 0 332.227 3.620 20 0 EHADRM COCc1ccsc1C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001599297061 997164251 /nfs/dbraw/zinc/16/42/51/997164251.db2.gz ILBKBLJVOZLEKN-UHFFFAOYSA-N -1 0 343.763 3.638 20 0 EHADRM COc1cc(C=CC(=O)[O-])ccc1OCc1ccc2[nH]c(C)nc2c1 ZINC001599398836 997177841 /nfs/dbraw/zinc/17/78/41/997177841.db2.gz JBGXGRANOMQHMP-VMPITWQZSA-N -1 0 338.363 3.557 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC001599506385 997217292 /nfs/dbraw/zinc/21/72/92/997217292.db2.gz HBGNKHGRUXHYAQ-SNVBAGLBSA-N -1 0 349.333 3.804 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OCc1cc(C)nc(Cl)c1 ZINC001599401738 997226291 /nfs/dbraw/zinc/22/62/91/997226291.db2.gz WQYHXJUXCDVGDB-XQRVVYSFSA-N -1 0 333.771 3.729 20 0 EHADRM COCc1nc(NC(=O)c2cccc(C3CCC3)c2)sc1C(=O)[O-] ZINC001599301360 997238681 /nfs/dbraw/zinc/23/86/81/997238681.db2.gz ARSOPUHIBNDIRK-UHFFFAOYSA-N -1 0 346.408 3.508 20 0 EHADRM COCc1nc(CSc2cc(Cl)ccc2C(=O)[O-])cs1 ZINC001599301957 997249095 /nfs/dbraw/zinc/24/90/95/997249095.db2.gz UEJUMVJARSZPLO-UHFFFAOYSA-N -1 0 329.830 3.933 20 0 EHADRM CC1(C2CC2)CCN(c2cc(C(F)(F)F)c(C(=O)[O-])cn2)CC1 ZINC001593991585 997253142 /nfs/dbraw/zinc/25/31/42/997253142.db2.gz KGSAMSIWPXLITF-UHFFFAOYSA-N -1 0 328.334 3.815 20 0 EHADRM COc1cc(CN[C@@H](C(=O)[O-])c2c(F)cccc2Cl)ccc1C ZINC001599414763 997486683 /nfs/dbraw/zinc/48/66/83/997486683.db2.gz SCLBDCNMJGRBOS-MRXNPFEDSA-N -1 0 337.778 3.712 20 0 EHADRM COc1ccc([C@H](NC(=O)c2ccc(C)c(C(=O)[O-])c2)C(C)C)cc1 ZINC001599523785 997524919 /nfs/dbraw/zinc/52/49/19/997524919.db2.gz JYLHJAMNXJWPDC-GOSISDBHSA-N -1 0 341.407 3.829 20 0 EHADRM CON(Cc1ccccc1Cl)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001599317791 997529976 /nfs/dbraw/zinc/52/99/76/997529976.db2.gz BKGYGVVDPYNBGP-UHFFFAOYSA-N -1 0 348.786 3.942 20 0 EHADRM COc1ccc([C@H](NC(=O)c2ccc(C(=O)[O-])cc2)C2CCC2)cc1 ZINC001599525171 997545889 /nfs/dbraw/zinc/54/58/89/997545889.db2.gz OEYUXRJJQCXMRL-GOSISDBHSA-N -1 0 339.391 3.665 20 0 EHADRM CO[C@H]1CCC[C@@H](CC(=O)Oc2cc(Cl)ccc2C(=O)[O-])C1 ZINC001599114137 997622558 /nfs/dbraw/zinc/62/25/58/997622558.db2.gz XFSWBWTZAIBTEK-PWSUYJOCSA-N -1 0 326.776 3.539 20 0 EHADRM CO[C@H]1CCCC[C@@H]1C(=O)Oc1cccc2c(CC(=O)[O-])cccc12 ZINC001599115344 997643191 /nfs/dbraw/zinc/64/31/91/997643191.db2.gz MSVOVCHZMFOCNZ-IRXDYDNUSA-N -1 0 342.391 3.578 20 0 EHADRM C[C@]1(Cc2ccc(F)c(Cl)c2)CCCN1c1cc(C(=O)[O-])ncn1 ZINC001594041416 997660953 /nfs/dbraw/zinc/66/09/53/997660953.db2.gz JCFMPWLGDLATBZ-QGZVFWFLSA-N -1 0 349.793 3.569 20 0 EHADRM C[C@]1(Cc2cccc(F)c2)CCCN1C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001594041856 997669413 /nfs/dbraw/zinc/66/94/13/997669413.db2.gz UUQNNSVFVAEVTI-JXXFODFXSA-N -1 0 347.430 3.640 20 0 EHADRM COc1ccc([C@@H](NCc2ccc(C(=O)[O-])cc2)C(F)(F)F)cc1 ZINC001599532556 997683186 /nfs/dbraw/zinc/68/31/86/997683186.db2.gz RLDRFTAMAZNALG-OAHLLOKOSA-N -1 0 339.313 3.787 20 0 EHADRM COCCC[C@@H](C)C(=O)Nc1cc(C(=O)[O-])cc(Cl)c1Cl ZINC001599225105 997744077 /nfs/dbraw/zinc/74/40/77/997744077.db2.gz GOPPGBDSBQKDCR-MRVPVSSYSA-N -1 0 334.199 3.693 20 0 EHADRM COc1cc(NC(=O)[C@@]2(C)CCc3ccccc3C2)ccc1C(=O)[O-] ZINC001599433309 997797497 /nfs/dbraw/zinc/79/74/97/997797497.db2.gz NJLJUARCRCHORB-FQEVSTJZSA-N -1 0 339.391 3.527 20 0 EHADRM COc1c(C)cccc1CN[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001599334441 997809443 /nfs/dbraw/zinc/80/94/43/997809443.db2.gz XAWBSFKVLQWIEW-OAHLLOKOSA-N -1 0 337.778 3.712 20 0 EHADRM CCCN(C(=O)CC(C)(C)CC(=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC000683319706 1016158024 /nfs/dbraw/zinc/15/80/24/1016158024.db2.gz AGTRAKYWNPFFFI-QGZVFWFLSA-N -1 0 331.456 3.674 20 0 EHADRM COc1c(NC(=O)[C@@H](C)Cc2ccccc2Cl)cccc1C(=O)[O-] ZINC001599336377 997844186 /nfs/dbraw/zinc/84/41/86/997844186.db2.gz GQLXCVVDCTXHJT-NSHDSACASA-N -1 0 347.798 3.864 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)c1c(F)cc(C)cc1F ZINC001599541649 997853613 /nfs/dbraw/zinc/85/36/13/997853613.db2.gz DRAADTKUCBIRAJ-XQRVVYSFSA-N -1 0 348.301 3.599 20 0 EHADRM COc1ccc(/C=C\C(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)cc1 ZINC001599543960 997892214 /nfs/dbraw/zinc/89/22/14/997892214.db2.gz KVVQTTYDBTXFIR-XLVZXTRVSA-N -1 0 326.348 3.711 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)[C@@H](C)c1ccsc1 ZINC001599545278 997912002 /nfs/dbraw/zinc/91/20/02/997912002.db2.gz XIEKFWKCFDRDAJ-MALLOTDXSA-N -1 0 332.377 3.564 20 0 EHADRM COc1c(NC(=O)N2CCC[C@H]2CCC(C)C)cccc1C(=O)[O-] ZINC001599340525 997914967 /nfs/dbraw/zinc/91/49/67/997914967.db2.gz RCVKIXOBDUONHH-ZDUSSCGKSA-N -1 0 334.416 3.826 20 0 EHADRM COc1cc(NC(=O)c2c[nH]c(C(=O)[O-])c2)c(C2CC2)cc1Cl ZINC001599440627 997923629 /nfs/dbraw/zinc/92/36/29/997923629.db2.gz AJWVCQSHZNSNKQ-UHFFFAOYSA-N -1 0 334.759 3.505 20 0 EHADRM COc1c(NC(=O)c2nsc3ccc(C)cc32)cccc1C(=O)[O-] ZINC001599342944 997952578 /nfs/dbraw/zinc/95/25/78/997952578.db2.gz UZLAJDHJYWORCH-UHFFFAOYSA-N -1 0 342.376 3.564 20 0 EHADRM COc1c(NC[C@@H](c2ccc(Cl)cc2)C(C)C)ncnc1C(=O)[O-] ZINC001599343389 997959797 /nfs/dbraw/zinc/95/97/97/997959797.db2.gz NJRRBJMQJYFYRR-CYBMUJFWSA-N -1 0 349.818 3.689 20 0 EHADRM CC1(c2ccccc2)CCN(C(=O)c2ccsc2C(=O)[O-])CC1 ZINC001594079587 997969897 /nfs/dbraw/zinc/96/98/97/997969897.db2.gz IEPIPYJBSGVAFG-UHFFFAOYSA-N -1 0 329.421 3.640 20 0 EHADRM C[C@]1(c2ccccc2)CCCN1C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001594079579 997970141 /nfs/dbraw/zinc/97/01/41/997970141.db2.gz HPUIIALWSVQQMF-GOSISDBHSA-N -1 0 344.436 3.667 20 0 EHADRM COc1cc(NCc2cn(C)nc2C2CCCCC2)ccc1C(=O)[O-] ZINC001599443916 997975856 /nfs/dbraw/zinc/97/58/56/997975856.db2.gz PYHLJZHYCCLKIT-UHFFFAOYSA-N -1 0 343.427 3.787 20 0 EHADRM COc1c(OC(=O)/C=C/c2ccc(C(=O)[O-])o2)ccc2ccccc21 ZINC001599344362 997976390 /nfs/dbraw/zinc/97/63/90/997976390.db2.gz GHLNGXDBWKMALI-DHZHZOJOSA-N -1 0 338.315 3.758 20 0 EHADRM COc1cc(NCc2cc(-c3ccc(C)cc3)no2)ccc1C(=O)[O-] ZINC001599444535 997986117 /nfs/dbraw/zinc/98/61/17/997986117.db2.gz ZOBYUXDHJWTJRI-UHFFFAOYSA-N -1 0 338.363 3.969 20 0 EHADRM COc1c(Oc2cc(Cl)c(Cl)cc2Cl)ncnc1C(=O)[O-] ZINC001599345072 997990080 /nfs/dbraw/zinc/99/00/80/997990080.db2.gz PXHPWGJZABRDSA-UHFFFAOYSA-N -1 0 349.557 3.936 20 0 EHADRM COc1c(OC(=O)c2cc(F)cc(C(=O)[O-])c2)ccc2ccccc21 ZINC001599345497 997998091 /nfs/dbraw/zinc/99/80/91/997998091.db2.gz VBTQLILYJUFIQD-UHFFFAOYSA-N -1 0 340.306 3.905 20 0 EHADRM COc1cc(-c2noc(-c3cc(C(=O)[O-])ccc3Cl)n2)ccc1F ZINC001599346325 998012816 /nfs/dbraw/zinc/01/28/16/998012816.db2.gz AZYYEZYVSIKCOB-UHFFFAOYSA-N -1 0 348.717 3.903 20 0 EHADRM CC1=C(C(=O)[O-])[C@H](c2cccc(Oc3ccccc3)c2)NC(=O)N1C ZINC001594097767 998073584 /nfs/dbraw/zinc/07/35/84/998073584.db2.gz HAYRLKCGXKRNPX-KRWDZBQOSA-N -1 0 338.363 3.534 20 0 EHADRM COc1ccc(CN(C)c2ncc(C(=O)[O-])cc2Cl)cc1Cl ZINC001599558454 998139369 /nfs/dbraw/zinc/13/93/69/998139369.db2.gz BKLMSFMVWBRIEO-UHFFFAOYSA-N -1 0 341.194 3.732 20 0 EHADRM CC1=C(C)C[C@@H](C(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)CC1 ZINC001594109771 998197603 /nfs/dbraw/zinc/19/76/03/998197603.db2.gz KPASURXLXJAINM-ZDUSSCGKSA-N -1 0 331.387 3.545 20 0 EHADRM COc1cc(OCc2cc(-c3ccccc3)on2)ccc1C(=O)[O-] ZINC001599456567 998198256 /nfs/dbraw/zinc/19/82/56/998198256.db2.gz DYTWIBWGQNTUGB-UHFFFAOYSA-N -1 0 325.320 3.627 20 0 EHADRM CC1=C(C)CN(C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)CC1 ZINC001594109998 998201211 /nfs/dbraw/zinc/20/12/11/998201211.db2.gz NSKFMEHHFUZDRO-UHFFFAOYSA-N -1 0 332.400 3.746 20 0 EHADRM COc1cc(OCCCOc2ccc(Cl)cc2)ccc1C(=O)[O-] ZINC001599457061 998205604 /nfs/dbraw/zinc/20/56/04/998205604.db2.gz UTQSRAAKDXNDBE-UHFFFAOYSA-N -1 0 336.771 3.895 20 0 EHADRM CC1=CC[C@](C)(C(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)CC1 ZINC001594112912 998216857 /nfs/dbraw/zinc/21/68/57/998216857.db2.gz CZHXXWZOJVEUOM-KRWDZBQOSA-N -1 0 345.424 3.911 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)/C=C/C2CCCCCC2)c1O ZINC001599358775 998224066 /nfs/dbraw/zinc/22/40/66/998224066.db2.gz DBZPWNPXOLPPHE-CMDGGOBGSA-N -1 0 333.384 3.564 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)/C=C\C2CCCCCC2)c1O ZINC001599358776 998224115 /nfs/dbraw/zinc/22/41/15/998224115.db2.gz DBZPWNPXOLPPHE-HJWRWDBZSA-N -1 0 333.384 3.564 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)C=C2CCC(C)(C)CC2)c1O ZINC001599359224 998233071 /nfs/dbraw/zinc/23/30/71/998233071.db2.gz JVJDHZQVXILURJ-UHFFFAOYSA-N -1 0 333.384 3.564 20 0 EHADRM COC[C@@H](C)[C@@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC001599159414 998430871 /nfs/dbraw/zinc/43/08/71/998430871.db2.gz ULDFNBQQHABRGL-GHMZBOCLSA-N -1 0 339.457 3.572 20 0 EHADRM COc1ccc(CSCc2c(OC)cccc2C(=O)[O-])c(OC)c1 ZINC001599576417 998451333 /nfs/dbraw/zinc/45/13/33/998451333.db2.gz JMLIIQBMHBSBSU-UHFFFAOYSA-N -1 0 348.420 3.844 20 0 EHADRM COC[C@@H](C)N(C(=O)C[C@@H](C)CC(=O)[O-])c1cc(Cl)ccc1C ZINC001599160743 998454101 /nfs/dbraw/zinc/45/41/01/998454101.db2.gz JQSDRFJHXQXJOY-DGCLKSJQSA-N -1 0 341.835 3.517 20 0 EHADRM COC[C@@H](C)OC(=O)Oc1cc(-c2ccccc2)sc1C(=O)[O-] ZINC001599161181 998460674 /nfs/dbraw/zinc/46/06/74/998460674.db2.gz UHZMLLGOVYGRRA-SNVBAGLBSA-N -1 0 336.365 3.664 20 0 EHADRM COc1ccc(Cl)cc1CN1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001599577580 998469477 /nfs/dbraw/zinc/46/94/77/998469477.db2.gz DFNSFUDRLZKGDC-UHFFFAOYSA-N -1 0 349.789 3.744 20 0 EHADRM COc1ccc(-n2c(C)nnc2S[C@@H](CC(C)(C)C)C(=O)[O-])cc1 ZINC001599474200 998500872 /nfs/dbraw/zinc/50/08/72/998500872.db2.gz XJDWZVXORDZBEP-AWEZNQCLSA-N -1 0 349.456 3.566 20 0 EHADRM COc1ccc(-n2ccnc2SCc2occc2C(=O)[O-])c(C)c1 ZINC001599474343 998503088 /nfs/dbraw/zinc/50/30/88/998503088.db2.gz NQHBHWGVXSHNHF-UHFFFAOYSA-N -1 0 344.392 3.773 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)c1ccccc1C(C)(C)C ZINC001599377999 998519378 /nfs/dbraw/zinc/51/93/78/998519378.db2.gz GBYQGKYHKJWEEG-UHFFFAOYSA-N -1 0 328.364 3.910 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)COc1cccc(C(C)C)c1 ZINC001599378374 998527077 /nfs/dbraw/zinc/52/70/77/998527077.db2.gz KRUYDVIMSKPIQC-UHFFFAOYSA-N -1 0 344.363 3.501 20 0 EHADRM Cc1cc(C)n(-c2ccccc2NS(=O)(=O)c2ccccc2C)n1 ZINC000340076694 1016219978 /nfs/dbraw/zinc/21/99/78/1016219978.db2.gz PJPAVWRXPXSYRL-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM COC(=O)c1ccc(Cl)cc1SCc1cccc(C(=O)[O-])n1 ZINC001598976634 998606399 /nfs/dbraw/zinc/60/63/99/998606399.db2.gz AQZSEWUJPFFCLJ-UHFFFAOYSA-N -1 0 337.784 3.512 20 0 EHADRM COC(=O)c1ccc(NC(=O)CCC2CCCCCC2)cc1C(=O)[O-] ZINC001598978905 998634845 /nfs/dbraw/zinc/63/48/45/998634845.db2.gz LKQXFFYBKITIMJ-UHFFFAOYSA-N -1 0 347.411 3.861 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1c1nc(Cl)c(C(F)(F)F)cc1Cl ZINC001594170893 998656739 /nfs/dbraw/zinc/65/67/39/998656739.db2.gz LYHGSIKUTGJSTL-RITPCOANSA-N -1 0 343.132 3.707 20 0 EHADRM O=C(c1cc(Cl)cc(Br)c1[O-])N1C[C@@H]2CCC[C@@H]2C1 ZINC000155165045 1016237142 /nfs/dbraw/zinc/23/71/42/1016237142.db2.gz UKVSDXHYTFLQGH-DTORHVGOSA-N -1 0 344.636 3.680 20 0 EHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@H]1Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC001594184231 998714280 /nfs/dbraw/zinc/71/42/80/998714280.db2.gz HPGWHTQXYRCUME-XHBSWPGZSA-N -1 0 338.398 3.866 20 0 EHADRM C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1Nc1ccc(-n2cccn2)c(Cl)c1 ZINC001594185717 998719674 /nfs/dbraw/zinc/71/96/74/998719674.db2.gz RGVSFBGLPUMAJK-XUJVJEKNSA-N -1 0 333.819 3.827 20 0 EHADRM COC(=O)c1cccc([C@H](Sc2nc3ccccc3o2)C(=O)[O-])c1 ZINC001598993742 998760128 /nfs/dbraw/zinc/76/01/28/998760128.db2.gz YTYPSTDQYWHQIG-AWEZNQCLSA-N -1 0 343.360 3.532 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1C(=O)c1ccc(C2=CCCC2)cc1 ZINC001594205713 998790585 /nfs/dbraw/zinc/79/05/85/998790585.db2.gz JEIDZLRNANCHNU-ZSBFGKGUSA-N -1 0 327.424 3.968 20 0 EHADRM C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccsc1C(=O)[O-] ZINC001594214979 998828573 /nfs/dbraw/zinc/82/85/73/998828573.db2.gz PTQAPZUUKMVJEH-YUMQZZPRSA-N -1 0 336.335 3.641 20 0 EHADRM C[C@@H]1C[C@H](CCNC(=O)Nc2cc(C(=O)[O-])n(C)c2)CC(C)(C)C1 ZINC001594231465 998879608 /nfs/dbraw/zinc/87/96/08/998879608.db2.gz BQJGATKXTISWLA-OLZOCXBDSA-N -1 0 335.448 3.697 20 0 EHADRM C[C@H]1C[C@H](CC(=O)N(C)c2ccc(OCC(=O)[O-])cc2)CC(C)(C)C1 ZINC001594232500 998885681 /nfs/dbraw/zinc/88/56/81/998885681.db2.gz LPVAYVALJAZKOE-LSDHHAIUSA-N -1 0 347.455 3.965 20 0 EHADRM C[C@H]1C[C@@H](CC(=O)NCCc2ccc(C(=O)[O-])cc2)CC(C)(C)C1 ZINC001594233675 998890637 /nfs/dbraw/zinc/89/06/37/998890637.db2.gz YXSYMDUBBRXWPL-HOCLYGCPSA-N -1 0 331.456 3.896 20 0 EHADRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)cc1C ZINC000048499660 1016260669 /nfs/dbraw/zinc/26/06/69/1016260669.db2.gz BWZYEKFVEGRIOW-UHFFFAOYSA-N -1 0 329.830 3.712 20 0 EHADRM COC(=O)c1occc1CNc1cccc2cc(C(=O)[O-])sc21 ZINC001599019509 998966814 /nfs/dbraw/zinc/96/68/14/998966814.db2.gz MMUCIRLUYYEAPC-UHFFFAOYSA-N -1 0 331.349 3.591 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CS1 ZINC001594257246 998989857 /nfs/dbraw/zinc/98/98/57/998989857.db2.gz FLEUSBXEHNRLSF-GHMZBOCLSA-N -1 0 330.409 3.554 20 0 EHADRM CO[C@H](C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-])c1ccc(F)cc1 ZINC001599026962 999023006 /nfs/dbraw/zinc/02/30/06/999023006.db2.gz MIMWIBCNSPCSFV-KRWDZBQOSA-N -1 0 345.370 3.974 20 0 EHADRM CO[C@@H](C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)C1CCCCC1 ZINC001599027749 999028374 /nfs/dbraw/zinc/02/83/74/999028374.db2.gz VMJSYXLVTITFML-CQSZACIVSA-N -1 0 325.792 3.572 20 0 EHADRM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccsc1CC(=O)[O-] ZINC001594266040 999031526 /nfs/dbraw/zinc/03/15/26/999031526.db2.gz LNPHBWHXBRSQHX-WCQYABFASA-N -1 0 347.411 3.533 20 0 EHADRM C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1ncc(C(=O)[O-])cc1Cl ZINC001594266457 999033327 /nfs/dbraw/zinc/03/33/27/999033327.db2.gz PBQGGGPRLODVES-GWCFXTLKSA-N -1 0 334.778 3.955 20 0 EHADRM C[C@H]1C[C@H](c2cccnc2)N(C(=O)Nc2cc(C(=O)[O-])ccc2F)C1 ZINC001594270143 999043832 /nfs/dbraw/zinc/04/38/32/999043832.db2.gz QUCKWXIDJAWSGR-MEDUHNTESA-N -1 0 343.358 3.534 20 0 EHADRM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)[O-] ZINC001594275140 999064519 /nfs/dbraw/zinc/06/45/19/999064519.db2.gz NLOXDBYHSRAGDY-BZNPZCIMSA-N -1 0 328.195 3.922 20 0 EHADRM CO[C@@](C)([C@@H](C)Nc1nc(C)nc2sc(C(=O)[O-])c(C)c21)C1CC1 ZINC001599036139 999084544 /nfs/dbraw/zinc/08/45/44/999084544.db2.gz GUMORZYHIOXHFY-XLFHBGCDSA-N -1 0 349.456 3.622 20 0 EHADRM CC1CCC(=CC(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)CC1 ZINC001594290223 999117234 /nfs/dbraw/zinc/11/72/34/999117234.db2.gz FVSUVLGLMSYFMG-UNWPMLMHSA-N -1 0 327.424 3.940 20 0 EHADRM C[C@H]1CC/C(=C/C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)C1 ZINC001594290361 999117405 /nfs/dbraw/zinc/11/74/05/999117405.db2.gz HDOVSRNDOHZOIA-GJDPETSDSA-N -1 0 347.842 3.713 20 0 EHADRM C[C@@H]1CC/C(=C/C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)C1 ZINC001594290363 999117633 /nfs/dbraw/zinc/11/76/33/999117633.db2.gz HDOVSRNDOHZOIA-YNTWEYBQSA-N -1 0 347.842 3.713 20 0 EHADRM CO[C@H](C)c1nc(CSC[C@H]2CCCC[C@H]2C(=O)[O-])cs1 ZINC001599042502 999127990 /nfs/dbraw/zinc/12/79/90/999127990.db2.gz NZQUSUMISCNQPB-NQBHXWOUSA-N -1 0 329.487 3.975 20 0 EHADRM CC1CCC(C)(CNC(=O)NCc2ccc(C(=O)[O-])cc2F)CC1 ZINC001594295827 999138796 /nfs/dbraw/zinc/13/87/96/999138796.db2.gz IRFDUSDTRDATPB-UHFFFAOYSA-N -1 0 336.407 3.540 20 0 EHADRM CC1CCC(C)(CNC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])CC1 ZINC001594296371 999142028 /nfs/dbraw/zinc/14/20/28/999142028.db2.gz QBDRULAZOGBBME-UHFFFAOYSA-N -1 0 342.439 3.741 20 0 EHADRM CC1CCC(C)(NC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CC1 ZINC001594299710 999157661 /nfs/dbraw/zinc/15/76/61/999157661.db2.gz GJPZWYQFBBOFPC-GGXOKCCSSA-N -1 0 330.428 3.965 20 0 EHADRM C[C@@H]1CC[C@@H](C)N1C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001594300038 999159284 /nfs/dbraw/zinc/15/92/84/999159284.db2.gz NKABXPTXMRJMNQ-BREBYQMCSA-N -1 0 344.333 3.571 20 0 EHADRM C[C@@H]1CC[C@@H](C)N1C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001594300041 999159357 /nfs/dbraw/zinc/15/93/57/999159357.db2.gz NKABXPTXMRJMNQ-GIPNMCIBSA-N -1 0 344.333 3.571 20 0 EHADRM C[C@@H]1CC[C@@H](CC(=O)N[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)C1 ZINC001594301729 999165115 /nfs/dbraw/zinc/16/51/15/999165115.db2.gz GHOUQEUNZFLJQS-UEKVPHQBSA-N -1 0 343.345 3.774 20 0 EHADRM C[C@@H]1CC[C@@H](CCC(=O)O[C@@H]2CCCc3cc(C(=O)[O-])ccc32)O1 ZINC001594305042 999177066 /nfs/dbraw/zinc/17/70/66/999177066.db2.gz GBIWKQLKJNFSCS-ISTRZQFTSA-N -1 0 332.396 3.653 20 0 EHADRM C[C@@H]1CC[C@](NC(=O)/C=C/C2CCCC2)(C(=O)[O-])c2ccccc21 ZINC001594312899 999202244 /nfs/dbraw/zinc/20/22/44/999202244.db2.gz FFQOBKRMTQFGGR-YZLKHBLASA-N -1 0 327.424 3.726 20 0 EHADRM C[C@@H]1CC[C@](NC(=O)C2C(C)(C)C2(C)C)(C(=O)[O-])c2ccccc21 ZINC001594318431 999226062 /nfs/dbraw/zinc/22/60/62/999226062.db2.gz GJOXDPAKKWPNOY-MPBGBICISA-N -1 0 329.440 3.662 20 0 EHADRM C[C@@H]1CC[C@@](NCc2noc3c2CCCC3)(C(=O)[O-])c2ccccc21 ZINC001594321887 999238622 /nfs/dbraw/zinc/23/86/22/999238622.db2.gz XLSUTTCHKJVUQF-XCLFUZPHSA-N -1 0 340.423 3.520 20 0 EHADRM C[C@H](NC(=O)Cn1cc(C(=O)[O-])c2ccccc21)[C@H]1CCC[C@@H](C)C1 ZINC001594354744 999339634 /nfs/dbraw/zinc/33/96/34/999339634.db2.gz FVPUOGIUJPMABG-ILXRZTDVSA-N -1 0 342.439 3.671 20 0 EHADRM C[C@H](NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)[C@H]1CCC[C@@H](C)C1 ZINC001594356777 999348483 /nfs/dbraw/zinc/34/84/83/999348483.db2.gz ZVQGOQRXLWOCEE-LLDVTBCESA-N -1 0 344.455 3.595 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CCNC(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001594363703 999372943 /nfs/dbraw/zinc/37/29/43/999372943.db2.gz JRWDHEZTWBEWGK-HZPDHXFCSA-N -1 0 338.492 3.927 20 0 EHADRM C[C@H]1CCCC[C@@H]1CCNC(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001594363720 999373213 /nfs/dbraw/zinc/37/32/13/999373213.db2.gz KESZLIAMPLWWBQ-LSDHHAIUSA-N -1 0 344.455 3.669 20 0 EHADRM C[C@@H]1CCCC[C@H]1CNC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001594366591 999385602 /nfs/dbraw/zinc/38/56/02/999385602.db2.gz LOVFPCGHAHTXGH-NEPJUHHUSA-N -1 0 329.400 3.814 20 0 EHADRM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CC[C@@H](c2ccco2)C1 ZINC000932502159 1016318886 /nfs/dbraw/zinc/31/88/86/1016318886.db2.gz QBBIMURXOZYVTM-SECBINFHSA-N -1 0 326.179 3.922 20 0 EHADRM C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001594388454 999470460 /nfs/dbraw/zinc/47/04/60/999470460.db2.gz LAPBYTAERASDRE-HNJOZXQCSA-N -1 0 339.391 3.821 20 0 EHADRM C[C@@H]1CCN(C(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)c2ccccc21 ZINC001594395347 999489400 /nfs/dbraw/zinc/48/94/00/999489400.db2.gz OXHZIZAHPUDYIR-FNXXIHLHSA-N -1 0 335.403 3.785 20 0 EHADRM CC(C)c1ccc(SCC(=O)N2CC[C@@H](C)C[C@H]2C(=O)[O-])cc1 ZINC001594400925 999500463 /nfs/dbraw/zinc/50/04/63/999500463.db2.gz NNVDTXWZFCQWRR-CJNGLKHVSA-N -1 0 335.469 3.614 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cccc(SC(F)(F)F)c2)[C@@H](C(=O)[O-])C1 ZINC001594411322 999535357 /nfs/dbraw/zinc/53/53/57/999535357.db2.gz LIKMENSMAYMPOM-BXKDBHETSA-N -1 0 347.358 3.624 20 0 EHADRM C[C@H]1CCc2sc(C(=O)NCC3(CC(=O)[O-])CCCC3)cc2C1 ZINC001594450544 999647809 /nfs/dbraw/zinc/64/78/09/999647809.db2.gz HQDSRQUPMKIJPM-LBPRGKRZSA-N -1 0 335.469 3.638 20 0 EHADRM C[C@H](NC(=O)CC1CC(c2ccccc2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655574865 1016376801 /nfs/dbraw/zinc/37/68/01/1016376801.db2.gz FJTPKFVJHMSICP-KRLXULGHSA-N -1 0 343.467 3.822 20 0 EHADRM C[C@@H](NC(=O)[C@H]1CCSc2ccccc21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655579442 1016435696 /nfs/dbraw/zinc/43/56/96/1016435696.db2.gz POSMLYFIUXFEHR-UQOMUDLDSA-N -1 0 347.480 3.518 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655579276 1016432123 /nfs/dbraw/zinc/43/21/23/1016432123.db2.gz LZBRLQJIOOUQSI-TXCZRRACSA-N -1 0 331.456 3.740 20 0 EHADRM C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655579004 1016432436 /nfs/dbraw/zinc/43/24/36/1016432436.db2.gz YWLXLLXADCQGSX-XKNKYKOPSA-N -1 0 349.858 3.695 20 0 EHADRM Cc1cccc(C)c1[C@H]1CCCN1C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000659411635 1016667428 /nfs/dbraw/zinc/66/74/28/1016667428.db2.gz OBVLRKAFJXXINF-JKSUJKDBSA-N -1 0 332.444 3.507 20 0 EHADRM Cc1[nH]c2ccccc2c1C1CCN(c2ncccc2C(=O)[O-])CC1 ZINC000613583432 1016761483 /nfs/dbraw/zinc/76/14/83/1016761483.db2.gz JEAUGALQVYIYFZ-UHFFFAOYSA-N -1 0 335.407 3.954 20 0 EHADRM CC[C@H](NC(=O)c1cc(F)c([O-])c(F)c1)c1cc(F)ccc1F ZINC000180055068 1016885024 /nfs/dbraw/zinc/88/50/24/1016885024.db2.gz KBEPVKDRNQFCMP-AWEZNQCLSA-N -1 0 327.277 3.830 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655584472 1016931191 /nfs/dbraw/zinc/93/11/91/1016931191.db2.gz KGCADIKEWQZNHG-LAVFITLUSA-N -1 0 345.483 3.753 20 0 EHADRM C[C@@H](NC(=O)c1cccc2ccccc21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655584511 1016935357 /nfs/dbraw/zinc/93/53/57/1016935357.db2.gz LARBCQLZYUGTDX-OAUYIBNBSA-N -1 0 325.408 3.705 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@H]2CCC[C@H]2C(=O)[O-])cc1Cl ZINC000388685930 1016966970 /nfs/dbraw/zinc/96/69/70/1016966970.db2.gz USYWAQATVWKZGW-NWDGAFQWSA-N -1 0 325.792 3.567 20 0 EHADRM Cc1ccncc1C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000340333964 1016968103 /nfs/dbraw/zinc/96/81/03/1016968103.db2.gz DPQYIFQUGGGGEG-UHFFFAOYSA-N -1 0 341.592 3.764 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H](CC(F)(F)F)c2ccccc2)cc1 ZINC000340342514 1016991731 /nfs/dbraw/zinc/99/17/31/1016991731.db2.gz JOHWKFKDJXVHLN-AWEZNQCLSA-N -1 0 337.297 3.808 20 0 EHADRM CCN(C(=O)c1csc(-c2ccc(C(C)C)cc2)n1)[C@H](C)C(=O)[O-] ZINC000659776189 1017010677 /nfs/dbraw/zinc/01/06/77/1017010677.db2.gz OUCHVGCSEWCDIN-GFCCVEGCSA-N -1 0 346.452 3.869 20 0 EHADRM CCC[C@@H](C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655586326 1017017491 /nfs/dbraw/zinc/01/74/91/1017017491.db2.gz QTDHKWXNWOKTDO-PQEBFOHHSA-N -1 0 331.456 3.822 20 0 EHADRM CC(=O)Nc1cccc(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])c1 ZINC000236619617 1017022948 /nfs/dbraw/zinc/02/29/48/1017022948.db2.gz HRBFSBFJRZWRBE-UHFFFAOYSA-N -1 0 348.358 3.749 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N2CC[C@H](C)[C@H](C)C2)s1 ZINC000471319384 1017042332 /nfs/dbraw/zinc/04/23/32/1017042332.db2.gz FVTFKWFXGBOUGE-CMPLNLGQSA-N -1 0 348.447 3.584 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)[C@H](c2ccccc2)C(C)C)sc1C(=O)[O-] ZINC000236620824 1017045929 /nfs/dbraw/zinc/04/59/29/1017045929.db2.gz DVLOOGUGCFUNNE-OCCSQVGLSA-N -1 0 346.452 3.767 20 0 EHADRM COc1ccc(NC(=O)c2cc(F)c(F)c([O-])c2F)c2cccnc12 ZINC000183475260 1032173043 /nfs/dbraw/zinc/17/30/43/1032173043.db2.gz FCTNFDGOKMMIDR-UHFFFAOYSA-N -1 0 348.280 3.619 20 0 EHADRM CC(C)n1cccc1C(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1 ZINC000484986241 1032205452 /nfs/dbraw/zinc/20/54/52/1032205452.db2.gz UTULFEWBCDNTGN-UHFFFAOYSA-N -1 0 346.843 3.915 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000449148459 1032249003 /nfs/dbraw/zinc/24/90/03/1032249003.db2.gz SXQVRZINMJISKT-GFCCVEGCSA-N -1 0 349.324 3.854 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)ccc1F ZINC000485082123 1032296196 /nfs/dbraw/zinc/29/61/96/1032296196.db2.gz WYIYSFWHAXMCGI-UHFFFAOYSA-N -1 0 333.306 3.954 20 0 EHADRM Cc1cc(Cl)cnc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000461209637 1032319710 /nfs/dbraw/zinc/31/97/10/1032319710.db2.gz DXNBTJDTVVDRLR-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM Cc1cc(Cl)cnc1NS(=O)(=O)CCc1cccc(Cl)c1 ZINC000461209848 1032320753 /nfs/dbraw/zinc/32/07/53/1032320753.db2.gz OKMAXGTZPZKXGU-UHFFFAOYSA-N -1 0 345.251 3.681 20 0 EHADRM Cc1c2ccc([N-]S(=O)(=O)c3ccc(C)cc3Cl)cc2nn1C ZINC000461328907 1032402425 /nfs/dbraw/zinc/40/24/25/1032402425.db2.gz BBJRTWLLYHPPIJ-UHFFFAOYSA-N -1 0 349.843 3.644 20 0 EHADRM CCCS(=O)(=O)[N-]c1ncc(Cc2cccc(Cl)c2)s1 ZINC000538498322 1032399965 /nfs/dbraw/zinc/39/99/65/1032399965.db2.gz WJQGZNJTUNOKDZ-UHFFFAOYSA-N -1 0 330.862 3.539 20 0 EHADRM CCCS(=O)(=O)[N-]c1ncc(Cc2ccc(C)c(Cl)c2)s1 ZINC000538496733 1032400687 /nfs/dbraw/zinc/40/06/87/1032400687.db2.gz AZOZPIXTEUDLEI-UHFFFAOYSA-N -1 0 344.889 3.847 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)Cc1ccc2ccccc2c1)C1CCCCC1 ZINC000538505406 1032403953 /nfs/dbraw/zinc/40/39/53/1032403953.db2.gz UFOSCHDRWQBCOO-LJQANCHMSA-N -1 0 339.435 3.922 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)CC2CCC(C(F)(F)F)CC2)C1 ZINC000263015332 1032410239 /nfs/dbraw/zinc/41/02/39/1032410239.db2.gz PUIXDDWOQACLOV-ZUEPYMLJSA-N -1 0 349.393 3.705 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(Br)c2)sc1C ZINC000536901805 1032413536 /nfs/dbraw/zinc/41/35/36/1032413536.db2.gz WCBCOVCTOOAWKH-UHFFFAOYSA-N -1 0 346.271 3.928 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2CC[C@@H]3CCCC[C@@H]32)n1 ZINC000084387883 1032425935 /nfs/dbraw/zinc/42/59/35/1032425935.db2.gz HAMQOAIUKQIHLE-HOTGVXAUSA-N -1 0 339.439 3.545 20 0 EHADRM Cc1ccc(NS(=O)(=O)c2cccc3ccccc32)cc1C(=O)[O-] ZINC000084461000 1032429792 /nfs/dbraw/zinc/42/97/92/1032429792.db2.gz NCSBYBIKWVMMGZ-UHFFFAOYSA-N -1 0 341.388 3.647 20 0 EHADRM CC(=O)c1cccc([N-]S(=O)(=O)c2cccc3ccc(C)nc32)c1 ZINC000084919999 1032467831 /nfs/dbraw/zinc/46/78/31/1032467831.db2.gz SAEDCPICIBYKLP-UHFFFAOYSA-N -1 0 340.404 3.547 20 0 EHADRM Cc1oc([N-]S(=O)(=O)c2ccc(Cl)cc2C)nc1C1CC1 ZINC000562707230 1017090701 /nfs/dbraw/zinc/09/07/01/1017090701.db2.gz IBCHIYFEENACFD-UHFFFAOYSA-N -1 0 326.805 3.623 20 0 EHADRM Cc1nc(C)c([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)s1 ZINC000088545701 1032505921 /nfs/dbraw/zinc/50/59/21/1032505921.db2.gz ROBNDGCFEOHRIW-UHFFFAOYSA-N -1 0 340.470 3.596 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)/C=C\c2c(Cl)cccc2Cl)C1 ZINC000314822725 1032551085 /nfs/dbraw/zinc/55/10/85/1032551085.db2.gz DPOKYSAZZYYASK-JMEBYUIHSA-N -1 0 342.222 3.720 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)N(C1CC1)[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC000601990606 1032583400 /nfs/dbraw/zinc/58/34/00/1032583400.db2.gz DKPLXIHDUCWTOC-GDZNZVCISA-N -1 0 347.480 3.650 20 0 EHADRM CSCc1ccccc1NC(=O)[C@](C)(CC(=O)[O-])c1ccsc1 ZINC000601989879 1032583856 /nfs/dbraw/zinc/58/38/56/1032583856.db2.gz LOBUIAVLKVIHLH-QGZVFWFLSA-N -1 0 349.477 3.982 20 0 EHADRM Cc1c(NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])cccc1C(F)(F)F ZINC000601993878 1032585134 /nfs/dbraw/zinc/58/51/34/1032585134.db2.gz VYASDUNFZPZXEG-BDAKNGLRSA-N -1 0 335.347 3.547 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)NCc1ccc(-c2cccs2)cc1)C(=O)[O-] ZINC000601993232 1032585140 /nfs/dbraw/zinc/58/51/40/1032585140.db2.gz MOTQXEXYLRUZPH-NWDGAFQWSA-N -1 0 349.477 3.626 20 0 EHADRM CCN(C(=O)[C@H](C)S[C@@H](C)C(=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000601994122 1032586242 /nfs/dbraw/zinc/58/62/42/1032586242.db2.gz LTCDLXQYHWACKR-AGIUHOORSA-N -1 0 349.452 3.937 20 0 EHADRM CSc1cc(NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])ccc1Cl ZINC000601999207 1032588715 /nfs/dbraw/zinc/58/87/15/1032588715.db2.gz MEXAQOIJENAFHW-YUMQZZPRSA-N -1 0 333.862 3.595 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)N1CC(C)(C)C[C@H]1c1ccccc1 ZINC000602008014 1032591139 /nfs/dbraw/zinc/59/11/39/1032591139.db2.gz OYSDWJJLKCKZDU-IPYPFGDCSA-N -1 0 335.469 3.581 20 0 EHADRM CSc1ccccc1[C@H](C)NC(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC000669622581 1032596757 /nfs/dbraw/zinc/59/67/57/1032596757.db2.gz INBHSMKRWCMTST-BBRMVZONSA-N -1 0 343.448 3.844 20 0 EHADRM Cc1cccc(-c2cccc(S(=O)(=O)CCCC(=O)[O-])c2)c1C ZINC000515312631 1032609857 /nfs/dbraw/zinc/60/98/57/1032609857.db2.gz ODBJNMRYWDNYBM-UHFFFAOYSA-N -1 0 332.421 3.609 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)sc1C ZINC000091014353 1032615231 /nfs/dbraw/zinc/61/52/31/1032615231.db2.gz JKUGCLOGUVCEBO-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)NC1(c2ccccc2)CCCCC1 ZINC000455852190 1032658825 /nfs/dbraw/zinc/65/88/25/1032658825.db2.gz VENDLALKPXJXBT-UHFFFAOYSA-N -1 0 341.407 3.805 20 0 EHADRM COc1ccc2c(c1)[n-]cc(C(=O)N1CC3(CC3)c3ccccc31)c2=O ZINC000172409518 1032671465 /nfs/dbraw/zinc/67/14/65/1032671465.db2.gz JIVSXFQOTFXGNB-UHFFFAOYSA-N -1 0 346.386 3.641 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(Cc2ccc(Br)cc2Cl)C1 ZINC000133686249 1017143555 /nfs/dbraw/zinc/14/35/55/1017143555.db2.gz NQLZICBDHVFJGS-AWEZNQCLSA-N -1 0 346.652 3.789 20 0 EHADRM CCN(C(=O)N(CCCC(=O)[O-])Cc1cccc(Cl)c1)C(C)C ZINC000547895432 1017201918 /nfs/dbraw/zinc/20/19/18/1017201918.db2.gz CJZKKMUYYLQLGU-UHFFFAOYSA-N -1 0 340.851 3.857 20 0 EHADRM O=C(Nc1ccccc1Nc1ccccc1)c1cccc2n[nH]nc21 ZINC000188613675 1017217923 /nfs/dbraw/zinc/21/79/23/1017217923.db2.gz YDAGKNPWIONENA-UHFFFAOYSA-N -1 0 329.363 3.954 20 0 EHADRM COc1cc(Cl)c(C)cc1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000183303576 1017269689 /nfs/dbraw/zinc/26/96/89/1017269689.db2.gz XIUHPIJIOKDOSW-UHFFFAOYSA-N -1 0 327.714 3.893 20 0 EHADRM Cc1csc(S(=O)(=O)[N-][C@@H](c2ccc(C)o2)C(F)(F)F)c1 ZINC000655660165 1017348582 /nfs/dbraw/zinc/34/85/82/1017348582.db2.gz NLIOQNIDFQCNHZ-NSHDSACASA-N -1 0 339.360 3.540 20 0 EHADRM Cc1[nH]c2ccc(C(=O)N[C@@H](CC(=O)[O-])C3CCCCC3)cc2c1C ZINC000537401562 1032705693 /nfs/dbraw/zinc/70/56/93/1032705693.db2.gz WFBOVPALVIEHPA-SFHVURJKSA-N -1 0 342.439 3.938 20 0 EHADRM Cc1cc([N-]C(=O)c2nc(-c3ccc(Cl)cc3Cl)no2)no1 ZINC000683592089 1017558574 /nfs/dbraw/zinc/55/85/74/1017558574.db2.gz KWNSHXHZVRQQFG-UHFFFAOYSA-N -1 0 339.138 3.592 20 0 EHADRM CCc1ccccc1Cc1noc(-c2cc(NC(C)=O)ccc2O)n1 ZINC000683596954 1017595638 /nfs/dbraw/zinc/59/56/38/1017595638.db2.gz AGOTVXUAPFGVOS-UHFFFAOYSA-N -1 0 337.379 3.554 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c1 ZINC000238153232 1017636049 /nfs/dbraw/zinc/63/60/49/1017636049.db2.gz IPASQQLQWCLAGW-NEPJUHHUSA-N -1 0 333.746 3.920 20 0 EHADRM Cc1cc(N)c(Nc2cccc(C(=O)[O-])c2F)c(Br)c1 ZINC001210242823 1017675094 /nfs/dbraw/zinc/67/50/94/1017675094.db2.gz UMTQXWSMMKDBKU-UHFFFAOYSA-N -1 0 339.164 3.921 20 0 EHADRM Cc1cccc(CC2CN(C(=O)c3cc(F)c([O-])c(Cl)c3)C2)c1 ZINC000683624549 1017771183 /nfs/dbraw/zinc/77/11/83/1017771183.db2.gz MVWQDURLHSWWLK-UHFFFAOYSA-N -1 0 333.790 3.808 20 0 EHADRM Cc1c(C(=O)[O-])cnn1C1CC[NH+]([C@H](C)c2cccc(Cl)c2)CC1 ZINC000579961640 1017806848 /nfs/dbraw/zinc/80/68/48/1017806848.db2.gz MBCGVSVBILGOGV-GFCCVEGCSA-N -1 0 347.846 3.941 20 0 EHADRM CO[C@H](C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)C1CCCCC1 ZINC000659129791 1017819819 /nfs/dbraw/zinc/81/98/19/1017819819.db2.gz CMKZISGVFOKSCY-AWEZNQCLSA-N -1 0 325.792 3.572 20 0 EHADRM CCC[C@@H](C)OC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000748122458 1017841155 /nfs/dbraw/zinc/84/11/55/1017841155.db2.gz MJVJPAZJBVRBOI-SECBINFHSA-N -1 0 338.201 3.636 20 0 EHADRM Cc1ccccc1[C@@H](C)N(C)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655906719 1017889828 /nfs/dbraw/zinc/88/98/28/1017889828.db2.gz NGGWBUTVTMEBJI-TXCZRRACSA-N -1 0 346.471 3.833 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@@]2(CC=CCC2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655904572 1017894512 /nfs/dbraw/zinc/89/45/12/1017894512.db2.gz LATSZXMZGFAXQN-ASKKUZCQSA-N -1 0 348.487 3.654 20 0 EHADRM C[C@H](C1CCCCC1)N(C)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655904279 1017895105 /nfs/dbraw/zinc/89/51/05/1017895105.db2.gz SZJAKPCYANMUAL-LQKXBSAESA-N -1 0 338.492 3.732 20 0 EHADRM CCC1CCC(N(C)C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1 ZINC000655908548 1017900980 /nfs/dbraw/zinc/90/09/80/1017900980.db2.gz YLWLLAMDBZAJEK-NVDSNGLKSA-N -1 0 338.492 3.732 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655909036 1017905579 /nfs/dbraw/zinc/90/55/79/1017905579.db2.gz YLXMKBAWCSGOHI-YQFWSFKMSA-N -1 0 346.471 3.833 20 0 EHADRM O=S(=O)([N-]c1ccc(OC2CCCC2)c(F)c1)c1ccco1 ZINC000275675592 1018059980 /nfs/dbraw/zinc/05/99/80/1018059980.db2.gz GRKXHTQDLXPXMO-UHFFFAOYSA-N -1 0 325.361 3.541 20 0 EHADRM Cc1ccccc1[C@H](CC(C)C)NC(=O)C[C@]1(C(=O)[O-])CCSC1 ZINC000602270848 1032742565 /nfs/dbraw/zinc/74/25/65/1032742565.db2.gz HRKIVAAWGCBANZ-QFBILLFUSA-N -1 0 349.496 3.796 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N2CCCC[C@@H]2c2ccccc2)s1 ZINC000574213191 1032743704 /nfs/dbraw/zinc/74/37/04/1032743704.db2.gz WQZLTSJSRBWNET-OAHLLOKOSA-N -1 0 344.484 3.918 20 0 EHADRM CCC(CC)(NC(=O)Nc1cccc(Oc2ccccn2)c1)C(=O)[O-] ZINC000580029880 1018231909 /nfs/dbraw/zinc/23/19/09/1018231909.db2.gz QVJSBVOUBUUHKK-UHFFFAOYSA-N -1 0 343.383 3.639 20 0 EHADRM COc1c(C)ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1C ZINC000031722654 1032754867 /nfs/dbraw/zinc/75/48/67/1032754867.db2.gz SRQOSTHKNUWZDV-UHFFFAOYSA-N -1 0 345.342 3.530 20 0 EHADRM [O-]c1c(F)cc(CN2CC[C@H](C(F)(F)F)C2)cc1Br ZINC001232633844 1032756432 /nfs/dbraw/zinc/75/64/32/1032756432.db2.gz VCYTYAYHNOTXDA-QMMMGPOBSA-N -1 0 342.130 3.678 20 0 EHADRM CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1nc(=O)c2sccc2[n-]1 ZINC000275729683 1018374758 /nfs/dbraw/zinc/37/47/58/1018374758.db2.gz UFOAXWOIUHZUOM-OAHLLOKOSA-N -1 0 343.452 3.989 20 0 EHADRM Cc1ccc(S[C@@H](C)C(=O)NCC2(C(=O)[O-])CCCCC2)cc1 ZINC000431852960 1018433196 /nfs/dbraw/zinc/43/31/96/1018433196.db2.gz CJTIPDQEFYDOJC-AWEZNQCLSA-N -1 0 335.469 3.627 20 0 EHADRM C[C@@H](C(=O)N=c1nc(-c2ccsc2)[n-]s1)c1cccc(F)c1 ZINC000377851809 1018471179 /nfs/dbraw/zinc/47/11/79/1018471179.db2.gz WTIRGWDBVODQNL-SECBINFHSA-N -1 0 333.413 3.570 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC000580049168 1018547627 /nfs/dbraw/zinc/54/76/27/1018547627.db2.gz YWQPBUOXIOGGMP-CGTJXYLNSA-N -1 0 344.455 3.609 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c(O)c1 ZINC000129510034 1018633987 /nfs/dbraw/zinc/63/39/87/1018633987.db2.gz TVDGJNPOXXFPHF-UHFFFAOYSA-N -1 0 348.207 3.508 20 0 EHADRM Cc1ccccc1-c1n[n-]c(=NCc2ccccc2OC(F)(F)F)o1 ZINC000564583819 1018726349 /nfs/dbraw/zinc/72/63/49/1018726349.db2.gz VUWCNNHEPOIZAA-UHFFFAOYSA-N -1 0 349.312 3.978 20 0 EHADRM O=C([O-])C1(CC(=O)NCc2cc(Cl)sc2Cl)CCCC1 ZINC000312724898 1018749682 /nfs/dbraw/zinc/74/96/82/1018749682.db2.gz RGRZLXZBFCZDLL-UHFFFAOYSA-N -1 0 336.240 3.706 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000630306787 1018841919 /nfs/dbraw/zinc/84/19/19/1018841919.db2.gz ZYZZHAZGIVNYAG-XAWIXRBMSA-N -1 0 329.440 3.720 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000237055089 1018873817 /nfs/dbraw/zinc/87/38/17/1018873817.db2.gz NPIBJWOAKKLXPY-JIIJFUIFSA-N -1 0 331.412 3.851 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1csc2ccccc12 ZINC000261754531 1018921468 /nfs/dbraw/zinc/92/14/68/1018921468.db2.gz PEZOKLRHFOAUMQ-UGFHNGPFSA-N -1 0 329.421 3.759 20 0 EHADRM CC[C@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)c1c(C)noc1C ZINC000161752182 1018953449 /nfs/dbraw/zinc/95/34/49/1018953449.db2.gz BPDBRNDBTINNKO-NSHDSACASA-N -1 0 331.397 3.602 20 0 EHADRM NC(=O)c1ccnc(Cl)c1Nc1cc(Cl)c([O-])c(Cl)c1 ZINC001210924799 1019051833 /nfs/dbraw/zinc/05/18/33/1019051833.db2.gz RSPWHIOIXVMATE-UHFFFAOYSA-N -1 0 332.574 3.590 20 0 EHADRM CCCc1ccc(NC(=O)CSc2n[n-]c(=S)s2)cc1 ZINC000175935225 1019080613 /nfs/dbraw/zinc/08/06/13/1019080613.db2.gz BTPVDMCAFKCBTG-UHFFFAOYSA-N -1 0 325.484 3.884 20 0 EHADRM Cc1ccc(Oc2ccccc2CC(=O)[N-]O[C@H]2CCCCO2)cc1 ZINC001625984445 1032807027 /nfs/dbraw/zinc/80/70/27/1032807027.db2.gz CUARNECOBRQLTA-FQEVSTJZSA-N -1 0 341.407 3.904 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)N=c2[n-]nc(C3CC3)s2)c(C)c1 ZINC000549920431 1019101409 /nfs/dbraw/zinc/10/14/09/1019101409.db2.gz USAGMRNEUXZBAI-LBPRGKRZSA-N -1 0 330.457 3.679 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000327564502 1019129026 /nfs/dbraw/zinc/12/90/26/1019129026.db2.gz LWQOORPLRLBNDL-HIFRSBDPSA-N -1 0 336.391 3.633 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NCc1cnc(-c2ccccn2)s1 ZINC000340671992 1019146746 /nfs/dbraw/zinc/14/67/46/1019146746.db2.gz HKSDTJROENRHTH-UHFFFAOYSA-N -1 0 325.393 3.824 20 0 EHADRM O=C([O-])c1ccccc1Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC001210967574 1019150103 /nfs/dbraw/zinc/15/01/03/1019150103.db2.gz KJIAMOKOQPCHDY-UHFFFAOYSA-N -1 0 332.787 3.618 20 0 EHADRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc2ncccc21)CC(C)(C)C ZINC000729204897 1019234151 /nfs/dbraw/zinc/23/41/51/1019234151.db2.gz NNCDUXABGUUNJN-ZDUSSCGKSA-N -1 0 348.468 3.502 20 0 EHADRM O=C([O-])[C@@H]1CCCCCN1C(=O)Nc1ncc(-c2ccccc2)s1 ZINC000683920723 1019240653 /nfs/dbraw/zinc/24/06/53/1019240653.db2.gz HWQHWBMRBISYPC-ZDUSSCGKSA-N -1 0 345.424 3.671 20 0 EHADRM Cc1cccc([C@H](C)C(=O)N=c2nc(Cc3ccccc3)[n-]s2)c1 ZINC000606778493 1032825440 /nfs/dbraw/zinc/82/54/40/1032825440.db2.gz ZVVDBRMMLSPMTH-AWEZNQCLSA-N -1 0 337.448 3.601 20 0 EHADRM COc1cccc(-c2c(C)c3cc4c(cc3nc2C(=O)[O-])OCO4)c1 ZINC000053999165 1019469216 /nfs/dbraw/zinc/46/92/16/1019469216.db2.gz PAUCKLLWHLQNDW-UHFFFAOYSA-N -1 0 337.331 3.646 20 0 EHADRM CO[C@@H](C)c1nc(=NC[C@@H](Cc2ccccc2)C(F)(F)F)s[n-]1 ZINC000580493584 1019481105 /nfs/dbraw/zinc/48/11/05/1019481105.db2.gz KOAVDOANDMKVMY-CMPLNLGQSA-N -1 0 345.390 3.501 20 0 EHADRM Cn1cc(C(=O)NCCCCCCCC(=O)[O-])c(C2CCCCC2)n1 ZINC000262095665 1019536380 /nfs/dbraw/zinc/53/63/80/1019536380.db2.gz DAYLNKBTICIKOH-UHFFFAOYSA-N -1 0 349.475 3.623 20 0 EHADRM CC(C)c1noc(=N[C@@H](COCc2ccccc2)c2ccccc2)[n-]1 ZINC000433778301 1019601079 /nfs/dbraw/zinc/60/10/79/1019601079.db2.gz WHRAYZADVWXDHH-SFHVURJKSA-N -1 0 337.423 3.985 20 0 EHADRM Clc1cc(Cl)cc(-c2n[n-]c(=NC[C@@H]3CCCOC3)s2)c1 ZINC000433807854 1019632571 /nfs/dbraw/zinc/63/25/71/1019632571.db2.gz LTEFNGBNWPCZJU-VIFPVBQESA-N -1 0 344.267 3.772 20 0 EHADRM Cc1nc(-c2cccs2)ccc1C(=O)NCCCCCCC(=O)[O-] ZINC000262609442 1019680791 /nfs/dbraw/zinc/68/07/91/1019680791.db2.gz AZLPDZVMFQRQIE-UHFFFAOYSA-N -1 0 346.452 3.883 20 0 EHADRM CCc1oc(C(=O)NCCc2cccc3ccccc32)cc1C(=O)[O-] ZINC000549937205 1019706310 /nfs/dbraw/zinc/70/63/10/1019706310.db2.gz OINHSGPASVNHTR-UHFFFAOYSA-N -1 0 337.375 3.666 20 0 EHADRM C[C@@H](CCC(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000262746087 1019719976 /nfs/dbraw/zinc/71/99/76/1019719976.db2.gz ANPXVIPNIPJGQA-AWEZNQCLSA-N -1 0 327.380 3.672 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000262914682 1019764366 /nfs/dbraw/zinc/76/43/66/1019764366.db2.gz JXXXDGKLAYBSMO-DLOVCJGASA-N -1 0 342.222 3.563 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)C1CCC(C(=O)[O-])CC1)CC2 ZINC000262953343 1019773996 /nfs/dbraw/zinc/77/39/96/1019773996.db2.gz LLOCDFKVWMRIHO-JMLCCBQJSA-N -1 0 329.440 3.805 20 0 EHADRM C[C@H]1CN(C(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)CC[C@@H]1C(=O)[O-] ZINC000262965175 1019776504 /nfs/dbraw/zinc/77/65/04/1019776504.db2.gz MINXBCQKRUEXFV-WFASDCNBSA-N -1 0 342.439 3.648 20 0 EHADRM CC(C)Sc1ccccc1C(=O)N1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000263015658 1019790097 /nfs/dbraw/zinc/79/00/97/1019790097.db2.gz XPQKPLAFWDXNOU-SFHVURJKSA-N -1 0 335.469 3.760 20 0 EHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000263040077 1019797134 /nfs/dbraw/zinc/79/71/34/1019797134.db2.gz RKOZYEUIQMNULO-XJKSGUPXSA-N -1 0 345.361 3.728 20 0 EHADRM C[C@@H]1CN(C(=O)C2(c3cccs3)CCCCC2)CC[C@H]1C(=O)[O-] ZINC000263059498 1019802152 /nfs/dbraw/zinc/80/21/52/1019802152.db2.gz SOWZXNZPBPTQNT-ZIAGYGMSSA-N -1 0 335.469 3.519 20 0 EHADRM CC[C@H](C(=O)[N-]OCc1cccnc1)c1cccc(C(F)(F)F)c1 ZINC000155812283 1019802809 /nfs/dbraw/zinc/80/28/09/1019802809.db2.gz OUBPTKLQNVUULK-HNNXBMFYSA-N -1 0 338.329 3.842 20 0 EHADRM CC(C)(C(=O)NC1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1F ZINC000263161433 1019829756 /nfs/dbraw/zinc/82/97/56/1019829756.db2.gz OTKQGEKMEWIUFG-UHFFFAOYSA-N -1 0 341.810 3.516 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000263459923 1019911021 /nfs/dbraw/zinc/91/10/21/1019911021.db2.gz PTYYLSKZLCRLLH-KGLIPLIRSA-N -1 0 343.448 3.818 20 0 EHADRM Cc1oc(-c2ccccc2)c(C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1C ZINC000263529453 1019925979 /nfs/dbraw/zinc/92/59/79/1019925979.db2.gz LRNCUIGKESRFRG-MLGOLLRUSA-N -1 0 341.407 3.746 20 0 EHADRM CC(C)CCn1nccc1[N-]S(=O)(=O)c1ccccc1C(C)C ZINC000580753962 1019983860 /nfs/dbraw/zinc/98/38/60/1019983860.db2.gz VJZHMXSZMAOLAJ-UHFFFAOYSA-N -1 0 335.473 3.853 20 0 EHADRM COc1cc(S(=O)(=O)[N-]c2cccc3ccsc32)ccc1F ZINC000471618785 1020028881 /nfs/dbraw/zinc/02/88/81/1020028881.db2.gz NIDAOHFNXVDANY-UHFFFAOYSA-N -1 0 337.397 3.850 20 0 EHADRM CC(=O)Nc1ccc(/C=C\C(=O)Nc2cccc(Cl)c2[O-])cc1 ZINC000255902211 1020263001 /nfs/dbraw/zinc/26/30/01/1020263001.db2.gz HAMHJZSPIMJNLV-YFHOEESVSA-N -1 0 330.771 3.656 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c2ccccc21 ZINC000684133094 1020345690 /nfs/dbraw/zinc/34/56/90/1020345690.db2.gz IIFBHXVWKIUTRE-VLQPXKRTSA-N -1 0 341.451 3.697 20 0 EHADRM CC(C)C[C@H](C(=O)[O-])N(C)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000581017786 1020362609 /nfs/dbraw/zinc/36/26/09/1020362609.db2.gz WVJXIYULWBYHER-MRXNPFEDSA-N -1 0 336.819 3.926 20 0 EHADRM O=C(CCc1nc2ccccc2[nH]1)Nc1cc(Cl)c([O-])cc1F ZINC000345667838 1020417888 /nfs/dbraw/zinc/41/78/88/1020417888.db2.gz YWRYYYURTBOLSN-UHFFFAOYSA-N -1 0 333.750 3.632 20 0 EHADRM COc1cc(NC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)ccc1C(=O)[O-] ZINC000261729013 1020487249 /nfs/dbraw/zinc/48/72/49/1020487249.db2.gz RNUJNZWKCMTIFR-JQWIXIFHSA-N -1 0 345.317 3.701 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2Cl)c1 ZINC000345745599 1020493635 /nfs/dbraw/zinc/49/36/35/1020493635.db2.gz IUUOHNVMRKXTMJ-QWHCGFSZSA-N -1 0 347.773 3.848 20 0 EHADRM O=C([O-])Cn1ccc2cc(NC(=O)c3ccc4ncccc4c3)ccc21 ZINC000345853898 1020558227 /nfs/dbraw/zinc/55/82/27/1020558227.db2.gz CFMJSEBUAXQYLB-UHFFFAOYSA-N -1 0 345.358 3.526 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2cnc(-c3ccsc3)s2)c1 ZINC000345838489 1020568437 /nfs/dbraw/zinc/56/84/37/1020568437.db2.gz DETVXPISUZRBDL-UHFFFAOYSA-N -1 0 344.417 3.751 20 0 EHADRM COc1cc(C)c(C)cc1NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000656485802 1020704166 /nfs/dbraw/zinc/70/41/66/1020704166.db2.gz HDLNVKNXCNBCKR-HXUWFJFHSA-N -1 0 341.407 3.683 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)Nc1ccc2c(c1)C=CCCC2 ZINC000656505874 1020766208 /nfs/dbraw/zinc/76/62/08/1020766208.db2.gz GLBGWGXEIPKXAJ-NXHRZFHOSA-N -1 0 340.423 3.753 20 0 EHADRM C[C@H](NC(=O)C[C@H]1CCCC[C@H]1C)c1ccc(OCC(=O)[O-])cc1 ZINC000581413100 1020850309 /nfs/dbraw/zinc/85/03/09/1020850309.db2.gz XGUSEJFYVQIXHV-IJEWVQPXSA-N -1 0 333.428 3.544 20 0 EHADRM CCOc1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccc(F)cc2F)c(C)c1 ZINC000656567489 1020923848 /nfs/dbraw/zinc/92/38/48/1020923848.db2.gz RANVUSWCSXRKLS-QGZVFWFLSA-N -1 0 335.350 3.587 20 0 EHADRM C[C@@H](CCC(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1)c1ccccc1 ZINC000160923130 1021024225 /nfs/dbraw/zinc/02/42/25/1021024225.db2.gz DCRQZIKSFLMDIJ-HOTGVXAUSA-N -1 0 345.464 3.778 20 0 EHADRM O=C(CCCSc1ccc(Cl)cc1)N=c1ccc(C2CC2)n[n-]1 ZINC000341189808 1021066799 /nfs/dbraw/zinc/06/67/99/1021066799.db2.gz JHPCHQJBLMXXGA-UHFFFAOYSA-N -1 0 347.871 3.940 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000255323286 1021096199 /nfs/dbraw/zinc/09/61/99/1021096199.db2.gz BIWARZOPVRAVGD-MUSGIIIZSA-N -1 0 335.469 3.710 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)c1ccc(OCc2ccccc2)cc1 ZINC000341211577 1021106005 /nfs/dbraw/zinc/10/60/05/1021106005.db2.gz GLDDCBHGOROCAG-UHFFFAOYSA-N -1 0 345.402 3.607 20 0 EHADRM CC(C)c1scnc1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000341226322 1021126657 /nfs/dbraw/zinc/12/66/57/1021126657.db2.gz VBFDXWXYZQODFD-UHFFFAOYSA-N -1 0 333.438 3.616 20 0 EHADRM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000427207392 1021214472 /nfs/dbraw/zinc/21/44/72/1021214472.db2.gz VQCNURLJQCRRGY-ZFWWWQNUSA-N -1 0 345.418 3.758 20 0 EHADRM COc1ccc(C(=O)Nc2cccc(CCC(=O)[O-])c2)c(Cl)c1 ZINC000684354032 1021216287 /nfs/dbraw/zinc/21/62/87/1021216287.db2.gz LQTPKLWZSDUCPL-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM Cc1ncc(CSc2n[n-]c(=NCCc3ccccc3)s2)s1 ZINC000518482159 1021232016 /nfs/dbraw/zinc/23/20/16/1021232016.db2.gz OOPXSOKBMKAGQE-UHFFFAOYSA-N -1 0 348.522 3.672 20 0 EHADRM Cc1ccc(OCCCOc2ccc(-c3n[n-]c(=N)o3)cc2)cc1C ZINC000439202054 1021236591 /nfs/dbraw/zinc/23/65/91/1021236591.db2.gz SLIHLWXEOVAULM-UHFFFAOYSA-N -1 0 339.395 3.614 20 0 EHADRM Cc1cc(C(=O)Nc2cc(F)cc(Cl)c2[O-])nc(C(F)(F)F)n1 ZINC000436815361 1021243123 /nfs/dbraw/zinc/24/31/23/1021243123.db2.gz VIPIKIAVFQXVQC-UHFFFAOYSA-N -1 0 349.671 3.554 20 0 EHADRM COc1cccc([C@H](N=c2[n-]nc(C)o2)c2ccccc2Cl)c1 ZINC000342354194 1021255780 /nfs/dbraw/zinc/25/57/80/1021255780.db2.gz YKSBTAWXSHLQGT-INIZCTEOSA-N -1 0 329.787 3.663 20 0 EHADRM CCC[C@H](Cc1ccccc1)N(CCC)C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC000507426978 1021260230 /nfs/dbraw/zinc/26/02/30/1021260230.db2.gz WAAWSQFLENLZPP-FGTMMUONSA-N -1 0 331.456 3.747 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCC(Cc2ccccc2F)CC1 ZINC000436831566 1021264260 /nfs/dbraw/zinc/26/42/60/1021264260.db2.gz QIZGIRFRXKSTLH-UHFFFAOYSA-N -1 0 331.362 3.765 20 0 EHADRM CC(C)[C@H]1N(C(=O)c2s[n-]c(=O)c2Cl)CC12CCCCC2 ZINC000333698734 1021267018 /nfs/dbraw/zinc/26/70/18/1021267018.db2.gz DOBBYKBACUVSLP-GFCCVEGCSA-N -1 0 328.865 3.933 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CCOc2ccc(F)cc2)c1 ZINC000436833585 1021267615 /nfs/dbraw/zinc/26/76/15/1021267615.db2.gz KBYFRLGITYXWCX-UHFFFAOYSA-N -1 0 331.343 3.532 20 0 EHADRM CCOc1cc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)ccc1C ZINC000909407461 1021285658 /nfs/dbraw/zinc/28/56/58/1021285658.db2.gz PQSKUSAPOVODEI-UHFFFAOYSA-N -1 0 331.412 3.757 20 0 EHADRM CC1(C)CO[C@@H](c2cccc(Cl)c2)CN1CCCCC(=O)[O-] ZINC000656764598 1021289472 /nfs/dbraw/zinc/28/94/72/1021289472.db2.gz CNVLTJSJMIXNRV-OAHLLOKOSA-N -1 0 325.836 3.747 20 0 EHADRM Cc1ccc2[nH]c3c(c2c1)CN([C@@H](C(=O)[O-])c1ccsc1)CC3 ZINC000656767056 1021294199 /nfs/dbraw/zinc/29/41/99/1021294199.db2.gz QQGAOIIHZIELMN-QGZVFWFLSA-N -1 0 326.421 3.722 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CCCOc2cccc(C)c2)c1 ZINC000436875321 1021320382 /nfs/dbraw/zinc/32/03/82/1021320382.db2.gz XMYOWWXKLXQTSS-UHFFFAOYSA-N -1 0 327.380 3.701 20 0 EHADRM O=C([O-])c1cccc2oc(/C=C\c3cnn(Cc4ccccc4)c3)nc21 ZINC000439282000 1021321239 /nfs/dbraw/zinc/32/12/39/1021321239.db2.gz XNBVBRKQKYANEW-KTKRTIGZSA-N -1 0 345.358 3.941 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2ccc(Br)s2)c1 ZINC000436876791 1021327150 /nfs/dbraw/zinc/32/71/50/1021327150.db2.gz KTODKKWVHIVAJN-UHFFFAOYSA-N -1 0 340.198 3.671 20 0 EHADRM O=C(Nc1nnc(-c2ccccc2)s1)c1cc(F)c([O-])c(Cl)c1 ZINC000436885956 1021337749 /nfs/dbraw/zinc/33/77/49/1021337749.db2.gz LTPDLCOWDLVZOZ-UHFFFAOYSA-N -1 0 349.774 3.956 20 0 EHADRM COc1nc(C(=O)Nc2cc(F)cc(Cl)c2[O-])cc2ccccc21 ZINC000436902692 1021348520 /nfs/dbraw/zinc/34/85/20/1021348520.db2.gz GAICOUFIAWBROA-UHFFFAOYSA-N -1 0 346.745 3.994 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCO[C@H](C2CCCCC2)C1 ZINC000436896448 1021360577 /nfs/dbraw/zinc/36/05/77/1021360577.db2.gz MSYRWLXRZFNCSL-HNNXBMFYSA-N -1 0 341.810 3.606 20 0 EHADRM Cn1cc(/C=C(/CC(=O)[O-])c2nc3cc(Cl)ccc3s2)cn1 ZINC000518603020 1021364208 /nfs/dbraw/zinc/36/42/08/1021364208.db2.gz WQUHHWRJZKNPLJ-WMZJFQQLSA-N -1 0 333.800 3.699 20 0 EHADRM CCOc1ccc2c(c1)CCN(C(=O)c1ccc([O-])c(Cl)c1)C2 ZINC000436913782 1021370117 /nfs/dbraw/zinc/37/01/17/1021370117.db2.gz KAIXWQUPQSSYRQ-UHFFFAOYSA-N -1 0 331.799 3.643 20 0 EHADRM Cc1sc2nc(C)nc(N3CCC[C@@H](CCC(=O)[O-])C3)c2c1C ZINC000323606219 1021392888 /nfs/dbraw/zinc/39/28/88/1021392888.db2.gz JIXJLIVMQAJMJO-ZDUSSCGKSA-N -1 0 333.457 3.698 20 0 EHADRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cc3n(n2)CCCC3)c(C)c1C ZINC000507628331 1021408828 /nfs/dbraw/zinc/40/88/28/1021408828.db2.gz DSRROMNZJFPDJV-UHFFFAOYSA-N -1 0 347.484 3.562 20 0 EHADRM O=C(Nc1ccc(-c2cnc(C3CC3)o2)cc1)c1ccc(O)cc1O ZINC000436963473 1021412189 /nfs/dbraw/zinc/41/21/89/1021412189.db2.gz ZLWTULAGVPAMCC-UHFFFAOYSA-N -1 0 336.347 3.883 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc3n(n2)CCCC3)cc1 ZINC000507637307 1021414595 /nfs/dbraw/zinc/41/45/95/1021414595.db2.gz PEHUOZJMMCWXEI-UHFFFAOYSA-N -1 0 347.484 3.708 20 0 EHADRM COc1cccc([C@@H]2C[C@H](C)CN2C(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000436969223 1021417410 /nfs/dbraw/zinc/41/74/10/1021417410.db2.gz XMTDEYWCHPKENT-GTNSWQLSSA-N -1 0 347.361 3.902 20 0 EHADRM CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000437007508 1021465253 /nfs/dbraw/zinc/46/52/53/1021465253.db2.gz ZBMUTNIZOLXQFI-UHFFFAOYSA-N -1 0 347.436 3.693 20 0 EHADRM COc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)c(C)c1 ZINC000345999001 1021490884 /nfs/dbraw/zinc/49/08/84/1021490884.db2.gz MPWBEVBJKQOQDL-MRXNPFEDSA-N -1 0 347.798 3.603 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2nnc(C(C)(C)C)s2)c1 ZINC000437184427 1021628568 /nfs/dbraw/zinc/62/85/68/1021628568.db2.gz COHCNKNPRVHWSA-UHFFFAOYSA-N -1 0 339.486 3.760 20 0 EHADRM CCCC[C@@H](NC(=O)Nc1ccc(OC(C)C)c(Cl)c1)C(=O)[O-] ZINC000519729613 1021637690 /nfs/dbraw/zinc/63/76/90/1021637690.db2.gz KKWYHFXHDIMELX-CYBMUJFWSA-N -1 0 342.823 3.892 20 0 EHADRM C[C@H](CC(=O)N=c1nc(C(C)(C)C)[n-]s1)c1c[nH]c2ccccc21 ZINC000426462268 1021650038 /nfs/dbraw/zinc/65/00/38/1021650038.db2.gz QTCFKKKBFNYXEI-LLVKDONJSA-N -1 0 342.468 3.871 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)c(Cl)cn1)c1ccc(Cl)s1 ZINC000437313881 1021723622 /nfs/dbraw/zinc/72/36/22/1021723622.db2.gz UCCOWXFDEPUMEU-UHFFFAOYSA-N -1 0 343.644 3.904 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC[C@@H](C)[C@H]3C)n2)cc1 ZINC000439801108 1021724885 /nfs/dbraw/zinc/72/48/85/1021724885.db2.gz KSYHKDUSCOUCRF-HUUCEWRRSA-N -1 0 341.455 3.962 20 0 EHADRM Cc1cccc(CN(CCC(=O)[O-])C(=O)N(C)Cc2ccccc2)c1 ZINC000548219130 1021761286 /nfs/dbraw/zinc/76/12/86/1021761286.db2.gz VPHQDIAVUUJKAY-UHFFFAOYSA-N -1 0 340.423 3.524 20 0 EHADRM Cc1ncccc1[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000439882778 1021796782 /nfs/dbraw/zinc/79/67/82/1021796782.db2.gz KWZDYUUDRSHJFF-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1cccc(C[C@H](CNC(=O)c2ccc(C(C)C)s2)C(=O)[O-])c1 ZINC000439907116 1021803822 /nfs/dbraw/zinc/80/38/22/1021803822.db2.gz ZRXPUVGQUWDPKI-OAHLLOKOSA-N -1 0 345.464 3.853 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)N[C@H](CC(=O)[O-])c2ccccc2C)cc1 ZINC000439916991 1021822788 /nfs/dbraw/zinc/82/27/88/1021822788.db2.gz GOEHFWORYBXMEO-QFBILLFUSA-N -1 0 339.435 3.814 20 0 EHADRM Cc1ccc(-c2[n-][nH]c(=NC(=O)C3(C(F)(F)F)CCCC3)c2C)o1 ZINC000416251124 1021893595 /nfs/dbraw/zinc/89/35/95/1021893595.db2.gz HVVQBBPSANAGMP-UHFFFAOYSA-N -1 0 341.333 3.770 20 0 EHADRM CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)c1cc(Cl)ccc1O ZINC000440027139 1021909127 /nfs/dbraw/zinc/90/91/27/1021909127.db2.gz JTTKKYMMFHLFRM-LJQANCHMSA-N -1 0 347.842 3.849 20 0 EHADRM CCCOc1ccc([C@H](C)N=c2nc(C3CC3)[n-]s2)cc1OC ZINC000426559929 1021913516 /nfs/dbraw/zinc/91/35/16/1021913516.db2.gz ZWJQDBWWSPZQGS-NSHDSACASA-N -1 0 333.457 3.808 20 0 EHADRM CCCCN1Cc2cccc([N-]S(=O)(=O)c3cccs3)c2C1 ZINC000171345760 1033020419 /nfs/dbraw/zinc/02/04/19/1033020419.db2.gz VUZXTFBEEFBTPQ-UHFFFAOYSA-N -1 0 336.482 3.665 20 0 EHADRM Cc1cc(C(F)(F)F)ccc1CNC(=O)CC1(C(=O)[O-])CCCC1 ZINC000341515494 1022034505 /nfs/dbraw/zinc/03/45/05/1022034505.db2.gz VELSMUXYSANSIQ-UHFFFAOYSA-N -1 0 343.345 3.665 20 0 EHADRM CC(C)[C@H](NC(=O)Nc1ccc(SC2CCCC2)cc1)C(=O)[O-] ZINC000517108684 1022036349 /nfs/dbraw/zinc/03/63/49/1022036349.db2.gz KMIHKYIGDWRUPY-HNNXBMFYSA-N -1 0 336.457 3.952 20 0 EHADRM Cc1ccc(-c2[n-][nH]c(=NC(=O)[C@@H]3[C@@H](C)[C@@H]3c3ccccc3)c2C)o1 ZINC000437668044 1022039929 /nfs/dbraw/zinc/03/99/29/1022039929.db2.gz RMVXMKSZHPMNLF-JCURWCKSSA-N -1 0 335.407 3.697 20 0 EHADRM O=S(=O)([N-]c1ccc(COc2ccccc2)cc1)c1ccco1 ZINC000437665132 1022050259 /nfs/dbraw/zinc/05/02/59/1022050259.db2.gz XXQIWPWJHRGJQU-UHFFFAOYSA-N -1 0 329.377 3.659 20 0 EHADRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccc2[nH]ccc2c1 ZINC000548283348 1022072268 /nfs/dbraw/zinc/07/22/68/1022072268.db2.gz YNCRDXGNHHQLJL-UHFFFAOYSA-N -1 0 337.404 3.825 20 0 EHADRM Cc1nsc(NC([O-])=C(Sc2ccccc2)c2ccccc2)n1 ZINC000440299567 1022075502 /nfs/dbraw/zinc/07/55/02/1022075502.db2.gz WSOAMZKGKDJUCA-HNNXBMFYSA-N -1 0 341.461 3.741 20 0 EHADRM O=C(N=c1[n-]nc(C2CC2)s1)Nc1cccc(CC(F)(F)F)c1 ZINC000517274242 1022189741 /nfs/dbraw/zinc/18/97/41/1022189741.db2.gz RDDPVBFXHWVVOE-UHFFFAOYSA-N -1 0 342.346 3.586 20 0 EHADRM C[C@H](c1ccccc1)[C@H](C)NC(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000473622145 1022265483 /nfs/dbraw/zinc/26/54/83/1022265483.db2.gz UBUZDSHNSSAZJO-RYUDHWBXSA-N -1 0 332.473 3.571 20 0 EHADRM C[C@@H](NC(=O)N=c1[n-]nc(C(C)(C)C)s1)[C@@H](C)c1ccccc1 ZINC000473625088 1022269794 /nfs/dbraw/zinc/26/97/94/1022269794.db2.gz BTDUBXQVBARVEJ-VXGBXAGGSA-N -1 0 332.473 3.571 20 0 EHADRM C[C@H](NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)[C@@H](C)c1ccccc1 ZINC000473629447 1022278776 /nfs/dbraw/zinc/27/87/76/1022278776.db2.gz ZKJDRQYFKCITMX-VWKPWSFCSA-N -1 0 339.435 3.727 20 0 EHADRM CCC(C)(C)N(C)C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000473584290 1022281285 /nfs/dbraw/zinc/28/12/85/1022281285.db2.gz YACXPOQXKUEBIP-UHFFFAOYSA-N -1 0 329.444 3.962 20 0 EHADRM Cc1cccc(-c2nsc([N-]c3cnn4c3NC[C@H](C)C4)n2)c1 ZINC000894949183 1022288039 /nfs/dbraw/zinc/28/80/39/1022288039.db2.gz OQMPROJTTSXVQT-NSHDSACASA-N -1 0 326.429 3.515 20 0 EHADRM COc1cc(Nc2ncc(C)cc2Br)cc(C(=O)[O-])c1 ZINC001213582613 1022293769 /nfs/dbraw/zinc/29/37/69/1022293769.db2.gz CMDGHVNNDOVCAC-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM Cc1sc([N-]S(=O)(=O)c2ccc(F)cc2F)nc1C(C)C ZINC000520429266 1022314521 /nfs/dbraw/zinc/31/45/21/1022314521.db2.gz LVIDYHIUDJLODT-UHFFFAOYSA-N -1 0 332.397 3.654 20 0 EHADRM CC(C)[C@H]1N(C(=O)N=c2ncn(C3CCCCC3)[n-]2)CC12CCCC2 ZINC000333860523 1022340081 /nfs/dbraw/zinc/34/00/81/1022340081.db2.gz RPEDGKVBEKJXMK-MRXNPFEDSA-N -1 0 345.491 3.638 20 0 EHADRM O=C([O-])CSCc1ccc(-c2ccc(O[C@@H]3CCOC3)cc2)cc1 ZINC000520428824 1022363741 /nfs/dbraw/zinc/36/37/41/1022363741.db2.gz BCBJQNHZBVIUDA-GOSISDBHSA-N -1 0 344.432 3.839 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cc1O)c1cc(Cl)ccc1Cl ZINC000111058714 1022410162 /nfs/dbraw/zinc/41/01/62/1022410162.db2.gz NZUKXLUCJRTSSW-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM CS[C@H]1CCCCN(C(=O)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000517584606 1022474091 /nfs/dbraw/zinc/47/40/91/1022474091.db2.gz NZYILOUXCYAVFH-JTQLQIEISA-N -1 0 333.375 3.769 20 0 EHADRM CCc1ccc(CCC(=O)N[C@@H](C)c2nc(C)c(C(=O)[O-])s2)cc1 ZINC000237165612 1022491911 /nfs/dbraw/zinc/49/19/11/1022491911.db2.gz AHJZLENAGMHCIV-LBPRGKRZSA-N -1 0 346.452 3.522 20 0 EHADRM CC(C)c1nccc(Sc2n[n-]c(=Nc3ccccc3)s2)n1 ZINC000517639528 1022517414 /nfs/dbraw/zinc/51/74/14/1022517414.db2.gz FCVSDCHXYBCTPP-UHFFFAOYSA-N -1 0 329.454 3.768 20 0 EHADRM O=C(c1s[n-]c(=O)c1Cl)N(Cc1ccccc1)CC1CCC1 ZINC000550149365 1022594200 /nfs/dbraw/zinc/59/42/00/1022594200.db2.gz KURJNNGLMLSRMU-UHFFFAOYSA-N -1 0 336.844 3.945 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccc2c(c1)nc(C1CC1)n2C ZINC000536301498 1022600864 /nfs/dbraw/zinc/60/08/64/1022600864.db2.gz DCPXAYSBVQOCJS-UHFFFAOYSA-N -1 0 347.465 3.621 20 0 EHADRM O=S(=O)(CCCc1ccc(Cl)cc1)c1nc2ccccc2[n-]1 ZINC000303937357 1022644660 /nfs/dbraw/zinc/64/46/60/1022644660.db2.gz WSTIMAGHSRFDOS-UHFFFAOYSA-N -1 0 334.828 3.623 20 0 EHADRM C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)N=c2nc(-c3ccccc3)[n-]s2)C1 ZINC000473767648 1022696361 /nfs/dbraw/zinc/69/63/61/1022696361.db2.gz UKQCYSYFLWDLJZ-UPJWGTAASA-N -1 0 330.457 3.525 20 0 EHADRM CCc1nc(CNCc2cc(Cl)ccc2Cl)ccc1C(=O)[O-] ZINC000426666288 1022707305 /nfs/dbraw/zinc/70/73/05/1022707305.db2.gz QAJGEDSXJPTBCT-UHFFFAOYSA-N -1 0 339.222 3.939 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)N[C@H](C)c1cccc(Cl)c1Cl ZINC000517831087 1022729392 /nfs/dbraw/zinc/72/93/92/1022729392.db2.gz JVGHGYVACWSESO-SECBINFHSA-N -1 0 333.215 3.559 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000517831088 1022730413 /nfs/dbraw/zinc/73/04/13/1022730413.db2.gz JVGHGYVACWSESO-VIFPVBQESA-N -1 0 333.215 3.559 20 0 EHADRM CCc1[nH]nc([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)c1C ZINC000331248441 1022780762 /nfs/dbraw/zinc/78/07/62/1022780762.db2.gz NJXMCQLEIXNMFD-UHFFFAOYSA-N -1 0 348.255 3.697 20 0 EHADRM O=S(=O)([N-]c1ccccc1Oc1ccncc1)c1ccccc1F ZINC000111995667 1022783199 /nfs/dbraw/zinc/78/31/99/1022783199.db2.gz CKDIUSXBDCXTJB-UHFFFAOYSA-N -1 0 344.367 3.814 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)N[C@@H](CC)c1cccc(Cl)c1 ZINC000517876900 1022796463 /nfs/dbraw/zinc/79/64/63/1022796463.db2.gz PLZKULNTPWWGRI-FZMZJTMJSA-N -1 0 326.824 3.686 20 0 EHADRM O=S(=O)([N-][C@H]1CCCc2sccc21)c1c(F)cc(F)cc1F ZINC000341658747 1022893717 /nfs/dbraw/zinc/89/37/17/1022893717.db2.gz WUQIGDXANSHXGB-LBPRGKRZSA-N -1 0 347.383 3.521 20 0 EHADRM COC(=O)c1cc(C)c(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1 ZINC000476273081 1033090094 /nfs/dbraw/zinc/09/00/94/1033090094.db2.gz AKTKWEGVFHKAHE-UHFFFAOYSA-N -1 0 347.436 3.508 20 0 EHADRM CCCc1nc(=NC(=O)N2C[C@@H](C)CC[C@H]2c2ccccc2)s[n-]1 ZINC000518011973 1022927968 /nfs/dbraw/zinc/92/79/68/1022927968.db2.gz UAPPIXCQOCERJQ-ZFWWWQNUSA-N -1 0 344.484 3.918 20 0 EHADRM COc1ccc2oc(CN[C@@H](C(=O)[O-])c3ccc(C)cc3)cc2c1 ZINC000426676589 1022965239 /nfs/dbraw/zinc/96/52/39/1022965239.db2.gz DSNRVDXBDZRYIW-GOSISDBHSA-N -1 0 325.364 3.665 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)cc1F ZINC000438760829 1022974045 /nfs/dbraw/zinc/97/40/45/1022974045.db2.gz YIRPOYPPSXEBMF-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2)cc1 ZINC000438776305 1022992309 /nfs/dbraw/zinc/99/23/09/1022992309.db2.gz ZIWAPCAIJSDDEA-CQSZACIVSA-N -1 0 335.473 3.853 20 0 EHADRM CC1CCC(O)(CSc2n[n-]c(=Nc3ccccc3)s2)CC1 ZINC000438793213 1023008598 /nfs/dbraw/zinc/00/85/98/1023008598.db2.gz QAKYQVIWVWGRBS-UHFFFAOYSA-N -1 0 335.498 3.737 20 0 EHADRM O=C([O-])[C@@H]([NH2+]Cc1cccc(OC(F)(F)F)c1)c1cccc(F)c1 ZINC000426762524 1023015417 /nfs/dbraw/zinc/01/54/17/1023015417.db2.gz KYDKGSVJFNHHBC-AWEZNQCLSA-N -1 0 343.276 3.640 20 0 EHADRM O=C([O-])[C@H](NCc1ccc(F)cc1Cl)c1c(F)cccc1F ZINC000426746838 1023018291 /nfs/dbraw/zinc/01/82/91/1023018291.db2.gz KYBXSLZDACKKEA-CQSZACIVSA-N -1 0 329.705 3.673 20 0 EHADRM CO[C@@H](C)c1nc(=Nc2ccc(OCC(F)(F)F)c(C)c2)s[n-]1 ZINC000509547027 1023024662 /nfs/dbraw/zinc/02/46/62/1023024662.db2.gz XYFILLXABCFSIG-VIFPVBQESA-N -1 0 347.362 3.661 20 0 EHADRM CO[C@@H](C)c1nc(=NC2CCC(C)(c3ccccc3)CC2)s[n-]1 ZINC000509548843 1023027569 /nfs/dbraw/zinc/02/75/69/1023027569.db2.gz KSRSGSCEESIAAD-UQHVZDHRSA-N -1 0 331.485 3.980 20 0 EHADRM CCCOc1ccc(CN[C@@H](C(=O)[O-])c2cccs2)cc1OCC ZINC000426778727 1023039606 /nfs/dbraw/zinc/03/96/06/1023039606.db2.gz AFQBKHAVSXKQMS-QGZVFWFLSA-N -1 0 349.452 3.851 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C)cc3cccnc32)c1 ZINC000506995884 1023068682 /nfs/dbraw/zinc/06/86/82/1023068682.db2.gz XZZRMJGFHSQDBV-UHFFFAOYSA-N -1 0 326.421 3.961 20 0 EHADRM CC(C)COc1ccccc1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000507014393 1023077298 /nfs/dbraw/zinc/07/72/98/1023077298.db2.gz VMHJYCCDXJHZDJ-UHFFFAOYSA-N -1 0 340.832 3.571 20 0 EHADRM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccsc2)c(Br)c1 ZINC000426832455 1023080539 /nfs/dbraw/zinc/08/05/39/1023080539.db2.gz JLPITWNJQRGITF-CYBMUJFWSA-N -1 0 340.242 3.735 20 0 EHADRM COc1ccc([C@H]([NH2+]Cc2ccc(Cl)c(C)c2)C(=O)[O-])cc1F ZINC000426835348 1023083169 /nfs/dbraw/zinc/08/31/69/1023083169.db2.gz QXESLEBVENZLPX-INIZCTEOSA-N -1 0 337.778 3.712 20 0 EHADRM CCc1ccc([C@H](NCc2csc(C(C)(C)C)n2)C(=O)[O-])cc1 ZINC000426834394 1023083208 /nfs/dbraw/zinc/08/32/08/1023083208.db2.gz OHEKJWZEZZKQEC-HNNXBMFYSA-N -1 0 332.469 3.919 20 0 EHADRM COc1ccc(F)cc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000507022441 1023090644 /nfs/dbraw/zinc/09/06/44/1023090644.db2.gz OURRXWTVERRBSA-UHFFFAOYSA-N -1 0 331.368 3.788 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)Nc2cccc(C(C)=O)c2)n1 ZINC000438904235 1023135857 /nfs/dbraw/zinc/13/58/57/1023135857.db2.gz TWWICVNZALDVSC-UHFFFAOYSA-N -1 0 349.390 3.595 20 0 EHADRM CCCCOc1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c(O)c1 ZINC000190052372 1023157606 /nfs/dbraw/zinc/15/76/06/1023157606.db2.gz DJBYUARRHMOFDX-GFCCVEGCSA-N -1 0 345.361 3.986 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2c(C)nn(-c3ccccc3)c2C)s1 ZINC000198135462 1033109584 /nfs/dbraw/zinc/10/95/84/1033109584.db2.gz PLKGNLOPZGYWRD-UHFFFAOYSA-N -1 0 347.465 3.660 20 0 EHADRM COc1ccc(C)nc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000439019852 1023211609 /nfs/dbraw/zinc/21/16/09/1023211609.db2.gz MSVYYDMTPZHKDT-UHFFFAOYSA-N -1 0 340.470 3.558 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)cc1 ZINC000439038366 1023227674 /nfs/dbraw/zinc/22/76/74/1023227674.db2.gz JLJTYIICHSUXQX-UHFFFAOYSA-N -1 0 325.455 3.855 20 0 EHADRM O=C([O-])[C@H]1CC[C@@H]1C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000507283272 1023231002 /nfs/dbraw/zinc/23/10/02/1023231002.db2.gz UNEKSZMEJHJMPN-KBPBESRZSA-N -1 0 346.770 3.577 20 0 EHADRM COc1cc(CN=c2[n-]c(-c3cccc(Cl)c3)no2)ccc1C ZINC000593991919 1033116051 /nfs/dbraw/zinc/11/60/51/1033116051.db2.gz LDWKFHULQWALQS-UHFFFAOYSA-N -1 0 329.787 3.741 20 0 EHADRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1sc(C)cc1C ZINC000431155400 1023356526 /nfs/dbraw/zinc/35/65/26/1023356526.db2.gz FYJHKXWDEBORMJ-UHFFFAOYSA-N -1 0 329.418 3.704 20 0 EHADRM CC(C)(C)c1nc(C(=O)NCC2(CC(=O)[O-])CCCCC2)cs1 ZINC000537474450 1033131928 /nfs/dbraw/zinc/13/19/28/1033131928.db2.gz LLQPSKCIMNUAAS-UHFFFAOYSA-N -1 0 338.473 3.596 20 0 EHADRM Cc1cccnc1[N-]S(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000598369745 1033132869 /nfs/dbraw/zinc/13/28/69/1033132869.db2.gz ZWHHMSPUPXVFJU-UHFFFAOYSA-N -1 0 336.416 3.762 20 0 EHADRM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)cc1 ZINC000548477940 1023443106 /nfs/dbraw/zinc/44/31/06/1023443106.db2.gz ZZBMXIDSOCSTMZ-UHFFFAOYSA-N -1 0 330.409 3.756 20 0 EHADRM CC(C)OC(=O)[C@@H](C)N(C)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000092602013 1023463681 /nfs/dbraw/zinc/46/36/81/1023463681.db2.gz WGHJWSUDLCWGQV-LLVKDONJSA-N -1 0 349.814 3.611 20 0 EHADRM COc1ccc(/C=C(/CC(=O)[O-])c2nc3ccccc3o2)cc1F ZINC000213708047 1033137760 /nfs/dbraw/zinc/13/77/60/1033137760.db2.gz OBHZWBSSCPUXOO-WQLSENKSSA-N -1 0 327.311 3.991 20 0 EHADRM O=C(c1ccc(Br)c(O)c1)N1CCC[C@@H]1C1CCCC1 ZINC000137693622 1023506852 /nfs/dbraw/zinc/50/68/52/1023506852.db2.gz BPZJVKOVFSUQOK-CQSZACIVSA-N -1 0 338.245 3.950 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)Cc3ccccc3)n2)cc1 ZINC000607434722 1033141984 /nfs/dbraw/zinc/14/19/84/1033141984.db2.gz RWVZJZJCGGODCC-UHFFFAOYSA-N -1 0 349.434 3.974 20 0 EHADRM CCN(CC(=O)[O-])C(=O)Nc1ccc(Oc2ccc(C)cc2)cc1 ZINC000563915854 1033149298 /nfs/dbraw/zinc/14/92/98/1033149298.db2.gz XWECJRMKSQERHV-UHFFFAOYSA-N -1 0 328.368 3.726 20 0 EHADRM Cc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(-n2ccnc2)c1 ZINC000342057437 1023809766 /nfs/dbraw/zinc/80/97/66/1023809766.db2.gz HIHHNMYSBTWPRD-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C(=O)Nc1cccc(C)c1 ZINC000505412395 1023954248 /nfs/dbraw/zinc/95/42/48/1023954248.db2.gz AMVGLKLLGNYQAF-INIZCTEOSA-N -1 0 341.798 3.626 20 0 EHADRM C[C@H](C(=O)[O-])[C@H]([NH2+]Cc1cnc(C(C)(C)C)s1)c1ccccc1 ZINC000277178144 1024033298 /nfs/dbraw/zinc/03/32/98/1024033298.db2.gz FCKBBJWOEPCMRP-WFASDCNBSA-N -1 0 332.469 3.992 20 0 EHADRM COc1ccc([C@H](NCc2ccc(SC)s2)C(=O)[O-])cc1F ZINC000417561343 1024040899 /nfs/dbraw/zinc/04/08/99/1024040899.db2.gz AXXOPCLIICMFCP-AWEZNQCLSA-N -1 0 341.429 3.533 20 0 EHADRM Cc1cc(C)c2nc(C3CC3)cc(C(=O)N[C@@H](C)CCC(=O)[O-])c2c1 ZINC000191150654 1024041310 /nfs/dbraw/zinc/04/13/10/1024041310.db2.gz OCSVUEHFHZYUGH-ZDUSSCGKSA-N -1 0 340.423 3.712 20 0 EHADRM C[C@@H](CC(=O)N=c1nc(-c2ccccc2)[n-]s1)c1cccc(F)c1 ZINC000522537949 1024049000 /nfs/dbraw/zinc/04/90/00/1024049000.db2.gz NVYVUOBICREAFC-LBPRGKRZSA-N -1 0 341.411 3.898 20 0 EHADRM Cc1ccc(CC(=O)[O-])c(-c2ccc(O[C@@H]3CCOC3)c(C)c2)c1 ZINC000657204803 1024095453 /nfs/dbraw/zinc/09/54/53/1024095453.db2.gz LJZKAUXKGLVFDX-QGZVFWFLSA-N -1 0 326.392 3.765 20 0 EHADRM CC(C)(C)c1ccccc1-c1ccc(CS(=O)(=O)CC(=O)[O-])cc1 ZINC000657205378 1024115073 /nfs/dbraw/zinc/11/50/73/1024115073.db2.gz UGHQTQILUWWIOW-UHFFFAOYSA-N -1 0 346.448 3.651 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N=c3[n-]nc(C(C)(C)C)s3)cc2c1C ZINC000522650386 1024143617 /nfs/dbraw/zinc/14/36/17/1024143617.db2.gz KIRODIVMMWGJKS-UHFFFAOYSA-N -1 0 328.441 3.608 20 0 EHADRM CC[C@@H](Cc1ccc(NCc2cccc3c2OCO3)cc1)C(=O)[O-] ZINC000417605691 1024147505 /nfs/dbraw/zinc/14/75/05/1024147505.db2.gz BWKIFJAOCHWGJL-AWEZNQCLSA-N -1 0 327.380 3.681 20 0 EHADRM COc1ccc(CNc2ccccc2CCCC(=O)[O-])c(OC)c1 ZINC000417614792 1024159918 /nfs/dbraw/zinc/15/99/18/1024159918.db2.gz BVPAXKQNMFADJC-UHFFFAOYSA-N -1 0 329.396 3.723 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)Cc2ccccc2Cl)cc1)C(=O)[O-] ZINC000191385267 1024207243 /nfs/dbraw/zinc/20/72/43/1024207243.db2.gz FUUMMKFSNYYBMS-GFCCVEGCSA-N -1 0 331.799 3.784 20 0 EHADRM CCOCc1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2OC)cc1 ZINC000434625718 1024223117 /nfs/dbraw/zinc/22/31/17/1024223117.db2.gz FJZGAUXZKFWDBZ-UHFFFAOYSA-N -1 0 349.452 3.649 20 0 EHADRM CC[C@H](CSc1nc(=O)cc([O-])n1C1CCCC1)CC(F)F ZINC000657243197 1024274793 /nfs/dbraw/zinc/27/47/93/1024274793.db2.gz MNQPPECYRFVCHL-JTQLQIEISA-N -1 0 332.416 3.838 20 0 EHADRM CC[C@H](C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC000192891049 1024289888 /nfs/dbraw/zinc/28/98/88/1024289888.db2.gz GXSVEQIDANGYLD-MOPGFXCFSA-N -1 0 339.435 3.773 20 0 EHADRM CCCOc1ccc(S(=O)(=O)[N-]c2cccc3cccnc32)cc1 ZINC000029044264 1024333874 /nfs/dbraw/zinc/33/38/74/1024333874.db2.gz ZGLWINDODWAUPH-UHFFFAOYSA-N -1 0 342.420 3.824 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000324246410 1024336254 /nfs/dbraw/zinc/33/62/54/1024336254.db2.gz HANMPBCNTFPVCZ-UHFFFAOYSA-N -1 0 331.274 3.970 20 0 EHADRM Cc1cc(F)ccc1CCNC(=O)CC1(CC(=O)[O-])CCCCC1 ZINC000391651395 1024336907 /nfs/dbraw/zinc/33/69/07/1024336907.db2.gz FLYHBRQXDOMMTE-UHFFFAOYSA-N -1 0 335.419 3.608 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N2CCC(CCC(=O)[O-])CC2)o1 ZINC000324311080 1024385284 /nfs/dbraw/zinc/38/52/84/1024385284.db2.gz ZHBDJBXQYSRRGW-LNRYFFFSSA-N -1 0 331.412 3.520 20 0 EHADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)ccc1F ZINC000191524669 1024396417 /nfs/dbraw/zinc/39/64/17/1024396417.db2.gz FVWDBOLTVDQEEI-CQSZACIVSA-N -1 0 349.789 3.685 20 0 EHADRM Brc1csc(CN=c2[n-]nc(CC3CCCC3)o2)c1 ZINC000346100260 1024401413 /nfs/dbraw/zinc/40/14/13/1024401413.db2.gz HKNKZJBGGHNRCS-UHFFFAOYSA-N -1 0 342.262 3.660 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2CCCC(=O)[O-])c1 ZINC000280908213 1024422182 /nfs/dbraw/zinc/42/21/82/1024422182.db2.gz ACWRDEOHVQZSSW-UHFFFAOYSA-N -1 0 347.436 3.512 20 0 EHADRM CCOc1cc2c(cc1[N-]S(=O)(=O)c1cccc(C)c1)O[C@@H](C)C2 ZINC000520701671 1024447101 /nfs/dbraw/zinc/44/71/01/1024447101.db2.gz ZUALZANQHIYRTB-ZDUSSCGKSA-N -1 0 347.436 3.518 20 0 EHADRM Brc1csc(CN=c2[n-]nc(C3CCCCC3)o2)c1 ZINC000346136523 1024464617 /nfs/dbraw/zinc/46/46/17/1024464617.db2.gz RBYIMVVRDXBNGX-UHFFFAOYSA-N -1 0 342.262 3.975 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1cccc(OC(F)(F)F)c1 ZINC000607610925 1033215484 /nfs/dbraw/zinc/21/54/84/1033215484.db2.gz KMJNQFTVRIUSTM-UHFFFAOYSA-N -1 0 337.344 3.756 20 0 EHADRM CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)Nc1cccc(Cl)c1[O-] ZINC000277309691 1024542254 /nfs/dbraw/zinc/54/22/54/1024542254.db2.gz UYKZZYKHIWUVKO-ZBEGNZNMSA-N -1 0 349.818 3.539 20 0 EHADRM CS[C@H](CNC(=O)CC1(CC(=O)[O-])CCCCC1)C(C)(C)C ZINC000342250185 1024572472 /nfs/dbraw/zinc/57/24/72/1024572472.db2.gz FOHHPEACHKUGGS-CYBMUJFWSA-N -1 0 329.506 3.696 20 0 EHADRM Cc1nc(NC(=O)c2cccc(Cl)c2[O-])ccc1Br ZINC001126519672 1024576289 /nfs/dbraw/zinc/57/62/89/1024576289.db2.gz KBXYWFYMKIJSRM-UHFFFAOYSA-N -1 0 341.592 3.764 20 0 EHADRM CC(C)c1ncsc1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000909522699 1024585060 /nfs/dbraw/zinc/58/50/60/1024585060.db2.gz HWIOUFQNMOUQNK-NSHDSACASA-N -1 0 332.425 3.782 20 0 EHADRM Cc1cnn(-c2ccc(C)cc2[N-]S(=O)(=O)c2sccc2C)c1 ZINC000435141712 1024657408 /nfs/dbraw/zinc/65/74/08/1024657408.db2.gz QSAQESNBCWKQDB-UHFFFAOYSA-N -1 0 347.465 3.660 20 0 EHADRM CCCS(=O)(=O)[N-]c1nc(-c2cc(C)c(F)cc2F)cs1 ZINC000346408923 1024698070 /nfs/dbraw/zinc/69/80/70/1024698070.db2.gz LLSJBWMKSFQLEJ-UHFFFAOYSA-N -1 0 332.397 3.548 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000237237897 1024710171 /nfs/dbraw/zinc/71/01/71/1024710171.db2.gz CMJAEOLRNCORAR-IMBBRHANSA-N -1 0 339.391 3.925 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2csc3ccccc32)ccc1F ZINC000507933679 1024781763 /nfs/dbraw/zinc/78/17/63/1024781763.db2.gz CXXQBMHHAUBRRN-UHFFFAOYSA-N -1 0 337.397 3.850 20 0 EHADRM O=S(=O)([N-]c1noc2ccc(Cl)cc21)c1cc(F)ccc1F ZINC000427777329 1024788987 /nfs/dbraw/zinc/78/89/87/1024788987.db2.gz KBPMPXCNFCELKJ-UHFFFAOYSA-N -1 0 344.726 3.560 20 0 EHADRM CC(C)n1ccc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)n1 ZINC000507972131 1024798492 /nfs/dbraw/zinc/79/84/92/1024798492.db2.gz UXORTZMHWDUQRC-UHFFFAOYSA-N -1 0 341.436 3.932 20 0 EHADRM Cc1cnc(C(=O)N2CCc3c2cccc3-c2ccccc2)c([O-])c1 ZINC000427823538 1024808733 /nfs/dbraw/zinc/80/87/33/1024808733.db2.gz CTSGMCSUOXHIRP-UHFFFAOYSA-N -1 0 330.387 3.966 20 0 EHADRM Clc1cccc(-c2noc([N-][C@@H](c3ncccn3)C3CC3)n2)c1 ZINC000895778925 1024826950 /nfs/dbraw/zinc/82/69/50/1024826950.db2.gz LXIIJHVVTVFQGZ-CYBMUJFWSA-N -1 0 327.775 3.743 20 0 EHADRM CC(C)c1nn(C)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000281312066 1024877114 /nfs/dbraw/zinc/87/71/14/1024877114.db2.gz ZEZABDHBNJDTNQ-UHFFFAOYSA-N -1 0 348.255 3.651 20 0 EHADRM O=C([O-])c1cccc(C(=O)N(Cc2ccccc2)C2CCCCC2)n1 ZINC000262680950 1033243647 /nfs/dbraw/zinc/24/36/47/1033243647.db2.gz ZTXGHLBELDUYEO-UHFFFAOYSA-N -1 0 338.407 3.755 20 0 EHADRM CC[C@@H](NC(=O)N(C)[C@@H](CC(C)C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000684717144 1024930538 /nfs/dbraw/zinc/93/05/38/1024930538.db2.gz HOSHEMRDCRISMT-CABCVRRESA-N -1 0 340.851 3.932 20 0 EHADRM Cc1cc(Nc2ncc(Br)nc2Cl)cc(C(=O)[O-])c1 ZINC001211537589 1024944908 /nfs/dbraw/zinc/94/49/08/1024944908.db2.gz RAFAIWRDSCXZQR-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM Cc1cc([C@H](C)NC(=O)N(CC(=O)[O-])C2CCCCC2)c(C)s1 ZINC000684721131 1024994310 /nfs/dbraw/zinc/99/43/10/1024994310.db2.gz QOCHDCXWVZXMGB-LBPRGKRZSA-N -1 0 338.473 3.855 20 0 EHADRM CCc1nnc([C@@H](C)Sc2n[n-]c(=Nc3cccc(C)c3)s2)o1 ZINC000346661761 1024997582 /nfs/dbraw/zinc/99/75/82/1024997582.db2.gz DGIYIOPQJIOQBY-SNVBAGLBSA-N -1 0 347.469 3.811 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2CC3(CCC3)C[C@H]2C)n1 ZINC000330340167 1025022887 /nfs/dbraw/zinc/02/28/87/1025022887.db2.gz XOJIDBSOIAEIOS-CQSZACIVSA-N -1 0 339.439 3.545 20 0 EHADRM Cc1cnc([C@H](C)Sc2n[n-]c(=NCc3ccccc3)s2)cn1 ZINC000515195954 1025083789 /nfs/dbraw/zinc/08/37/89/1025083789.db2.gz FLIXMJWUYMVFMA-LBPRGKRZSA-N -1 0 343.481 3.524 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cccc(-c2ccoc2)c1 ZINC000190918352 1025083776 /nfs/dbraw/zinc/08/37/76/1025083776.db2.gz UBERDQXCOJEMCC-UHFFFAOYSA-N -1 0 335.359 3.917 20 0 EHADRM COc1cc(C)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C ZINC000071977808 1025097561 /nfs/dbraw/zinc/09/75/61/1025097561.db2.gz ZHIBPMBPDLRQIC-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM Cc1cc([C@H](NCc2cnc(C3CC3)s2)C(=O)[O-])ccc1Cl ZINC000582051910 1025099120 /nfs/dbraw/zinc/09/91/20/1025099120.db2.gz TTXBAJBTSVJXHL-AWEZNQCLSA-N -1 0 336.844 3.898 20 0 EHADRM CCC(CC)(CC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl)C(=O)[O-] ZINC000435715393 1025101799 /nfs/dbraw/zinc/10/17/99/1025101799.db2.gz AWNLISRXJPKQLP-ZWNOBZJWSA-N -1 0 341.810 3.732 20 0 EHADRM CSc1ccc(CCNC(=O)CC2(CC(=O)[O-])CCCCC2)cc1 ZINC000435724371 1025106886 /nfs/dbraw/zinc/10/68/86/1025106886.db2.gz SWALWUCBVUDLDC-UHFFFAOYSA-N -1 0 349.496 3.883 20 0 EHADRM C[C@H](CNC(=O)c1ccc(SCc2ccccc2)cc1)CC(=O)[O-] ZINC000262255762 1025141270 /nfs/dbraw/zinc/14/12/70/1025141270.db2.gz SVOADDGDWCJWPF-AWEZNQCLSA-N -1 0 343.448 3.820 20 0 EHADRM CC(C)CO[C@H]1CCN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000582067627 1025148928 /nfs/dbraw/zinc/14/89/28/1025148928.db2.gz BTJVNUAWJYWKRV-SWLSCSKDSA-N -1 0 346.254 3.866 20 0 EHADRM Cc1cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)c(C)n1C1CCCCC1 ZINC000521025856 1025170387 /nfs/dbraw/zinc/17/03/87/1025170387.db2.gz WUCIRBFSHUJEMA-XJKSGUPXSA-N -1 0 346.471 3.935 20 0 EHADRM CC(C)c1nc2cc(NC(=O)N3CCCCC[C@@H]3C(=O)[O-])ccc2o1 ZINC000684745250 1025210847 /nfs/dbraw/zinc/21/08/47/1025210847.db2.gz HKDUHCHHXZSSBR-CQSZACIVSA-N -1 0 345.399 3.812 20 0 EHADRM CCCn1ccc2cc(NC(=O)N3CCCCC[C@@H]3C(=O)[O-])ccc21 ZINC000684747516 1025240509 /nfs/dbraw/zinc/24/05/09/1025240509.db2.gz HZJNXAYOBWLUPB-QGZVFWFLSA-N -1 0 343.427 3.912 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N(CCC)[C@@H]2CCc3ccccc32)s1 ZINC000521198477 1025272408 /nfs/dbraw/zinc/27/24/08/1025272408.db2.gz OTAHKRUSFABRBY-OAHLLOKOSA-N -1 0 344.484 3.844 20 0 EHADRM O=C(/C=C\c1cnc2ccccc2n1)Nc1cccc(Cl)c1[O-] ZINC000255024568 1025284147 /nfs/dbraw/zinc/28/41/47/1025284147.db2.gz VIBQRKTZZJBAPJ-HJWRWDBZSA-N -1 0 325.755 3.641 20 0 EHADRM Cc1c(C(=O)[O-])oc2c1-c1nc3cc4c(cc3c(C)c1CC2)OCO4 ZINC000515483771 1025294741 /nfs/dbraw/zinc/29/47/41/1025294741.db2.gz HBXLEECLHUTLTA-UHFFFAOYSA-N -1 0 337.331 3.637 20 0 EHADRM COC[C@@H](C)Oc1cccc(-c2cccc(OCCC(=O)[O-])c2)c1 ZINC000574532722 1033275992 /nfs/dbraw/zinc/27/59/92/1033275992.db2.gz OZKHBXAQZOSSFI-CQSZACIVSA-N -1 0 330.380 3.621 20 0 EHADRM CO[C@@H](C)c1nc(=NC(=O)[C@@H](CC2CCCCC2)C(C)C)s[n-]1 ZINC000511080946 1025369198 /nfs/dbraw/zinc/36/91/98/1025369198.db2.gz RBAPOCAFPWYOER-JSGCOSHPSA-N -1 0 339.505 3.849 20 0 EHADRM CC(C)[C@H](SCc1ccccc1)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000262958022 1033279853 /nfs/dbraw/zinc/27/98/53/1033279853.db2.gz LVBYXCOXFBJHAL-UAGQMJEPSA-N -1 0 349.496 3.514 20 0 EHADRM CO[C@@H]1CCOc2c(NC(=O)CC3(C(=O)[O-])CCCCC3)cccc21 ZINC000515591813 1025404755 /nfs/dbraw/zinc/40/47/55/1025404755.db2.gz BKXMJUIAEZQKTJ-OAHLLOKOSA-N -1 0 347.411 3.520 20 0 EHADRM Cc1n[nH]cc1-c1n[n-]c(=NCc2c(C)cc(Cl)cc2C)s1 ZINC000436147464 1025417525 /nfs/dbraw/zinc/41/75/25/1025417525.db2.gz CXPNHHXSXOXLPZ-UHFFFAOYSA-N -1 0 333.848 3.541 20 0 EHADRM O=C(NCc1cccc(OCC(F)F)c1)c1ccc([O-])c(Cl)c1 ZINC000102482397 1025418713 /nfs/dbraw/zinc/41/87/13/1025418713.db2.gz HVLLRBCLWJHLND-UHFFFAOYSA-N -1 0 341.741 3.620 20 0 EHADRM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000436170304 1025434020 /nfs/dbraw/zinc/43/40/20/1025434020.db2.gz AYIOYTPMAIIOKK-UHFFFAOYSA-N -1 0 336.363 3.864 20 0 EHADRM CC(C)(C)Nc1ccccc1[N-]S(=O)(=O)c1sccc1F ZINC000451048281 1025467749 /nfs/dbraw/zinc/46/77/49/1025467749.db2.gz WEZZBWKVSMVCQW-UHFFFAOYSA-N -1 0 328.434 3.898 20 0 EHADRM C[C@H](NC(=O)CC1(C(=O)[O-])CCC1)c1ccc(C(F)(F)F)cc1 ZINC000324388696 1025469460 /nfs/dbraw/zinc/46/94/60/1025469460.db2.gz MRBUNVDZHUWTDJ-JTQLQIEISA-N -1 0 329.318 3.528 20 0 EHADRM Cc1cccc(NC(=O)c2c(C(C)C)[n-]n(-c3ccccc3)c2=O)c1C ZINC000505775843 1025482023 /nfs/dbraw/zinc/48/20/23/1025482023.db2.gz FGIFRZOJCLLKLA-GOSISDBHSA-N -1 0 349.434 3.917 20 0 EHADRM O=S(=O)(CCCCF)[N-]c1cc(Cl)ccc1OC(F)(F)F ZINC000451059540 1025483709 /nfs/dbraw/zinc/48/37/09/1025483709.db2.gz XBQPFBLSMPQYTO-UHFFFAOYSA-N -1 0 349.733 3.730 20 0 EHADRM CCC(C)(C)[C@H]1CCCN1C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000582170175 1025502245 /nfs/dbraw/zinc/50/22/45/1025502245.db2.gz ALMOWXQLKDVPNW-MRXNPFEDSA-N -1 0 345.418 3.758 20 0 EHADRM CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(C)s3)cc2O1 ZINC000442835172 1025524655 /nfs/dbraw/zinc/52/46/55/1025524655.db2.gz LTLLWNAHWMOIRA-OAHLLOKOSA-N -1 0 339.438 3.755 20 0 EHADRM O=S(=O)(CCCCF)[N-]c1nc(-c2cccc(Cl)c2)cs1 ZINC000342450155 1025564569 /nfs/dbraw/zinc/56/45/69/1025564569.db2.gz PNMGTASYFOXISB-UHFFFAOYSA-N -1 0 348.852 3.955 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N1CCc2c(Cl)cccc2C1 ZINC000262275252 1025567355 /nfs/dbraw/zinc/56/73/55/1025567355.db2.gz YSBACQBIHYYZBI-UHFFFAOYSA-N -1 0 343.810 3.556 20 0 EHADRM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1scnc1C(C)C ZINC000451102711 1025567520 /nfs/dbraw/zinc/56/75/20/1025567520.db2.gz LKHMBNHBVRJCTO-UHFFFAOYSA-N -1 0 328.434 3.823 20 0 EHADRM CCSCc1ccc([N-]S(=O)(=O)c2ccccc2OC)cc1 ZINC000451104516 1025567789 /nfs/dbraw/zinc/56/77/89/1025567789.db2.gz GBQGGIWFVFBXMH-UHFFFAOYSA-N -1 0 337.466 3.749 20 0 EHADRM CC(C)[C@@H](NC(=O)C[C@@H](C)CC(=O)[O-])c1ccc(Cl)cc1F ZINC000574584869 1033292963 /nfs/dbraw/zinc/29/29/63/1033292963.db2.gz NZHVLWWIFXWWLK-QLJPJBMISA-N -1 0 329.799 3.793 20 0 EHADRM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000017903345 1025607246 /nfs/dbraw/zinc/60/72/46/1025607246.db2.gz VHDRULKEZGXCGQ-LLVKDONJSA-N -1 0 333.771 3.753 20 0 EHADRM O=C([O-])[C@H]1CCCCN1C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000392173083 1025610329 /nfs/dbraw/zinc/61/03/29/1025610329.db2.gz PVHVWFYRBOCBKJ-QGZVFWFLSA-N -1 0 340.379 3.950 20 0 EHADRM CC(C)Cc1ccc(CC(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000262282291 1025663736 /nfs/dbraw/zinc/66/37/36/1025663736.db2.gz YRIVSZFLDXBFAM-UHFFFAOYSA-N -1 0 325.408 3.693 20 0 EHADRM CCCC[C@H](NC(=O)c1cc(Cl)ccc1OC(C)C)C(=O)[O-] ZINC000347255003 1025740047 /nfs/dbraw/zinc/74/00/47/1025740047.db2.gz DAQOVPWRKQYOLL-ZDUSSCGKSA-N -1 0 327.808 3.500 20 0 EHADRM C[C@H](NC(=O)CC1(C(=O)[O-])CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000324414727 1025749526 /nfs/dbraw/zinc/74/95/26/1025749526.db2.gz WVZNBBBPZAKGDJ-NSHDSACASA-N -1 0 343.345 3.918 20 0 EHADRM O=S(=O)([N-]CCC(F)(F)F)c1sc2ccccc2c1Cl ZINC000451279992 1025753388 /nfs/dbraw/zinc/75/33/88/1025753388.db2.gz GBFGSPNYYOLYOM-UHFFFAOYSA-N -1 0 343.779 3.785 20 0 EHADRM COc1cccnc1[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000521895768 1025766767 /nfs/dbraw/zinc/76/67/67/1025766767.db2.gz NEOORYFYYUJFDM-UHFFFAOYSA-N -1 0 346.452 3.939 20 0 EHADRM CCc1ccc(S(=O)(=O)C(C)=C([O-])c2ccc3c(c2)CCC3)cc1 ZINC000521936851 1025800127 /nfs/dbraw/zinc/80/01/27/1025800127.db2.gz HQHOSRPOWROLAM-AWEZNQCLSA-N -1 0 342.460 3.783 20 0 EHADRM CSCCCC(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000342483586 1025811136 /nfs/dbraw/zinc/81/11/36/1025811136.db2.gz ZUJQOKUCVVIQEA-UHFFFAOYSA-N -1 0 338.654 3.890 20 0 EHADRM O=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)c1ccc(F)cc1[O-] ZINC000436533291 1025841055 /nfs/dbraw/zinc/84/10/55/1025841055.db2.gz YDOKEUCQLYRZDI-ZDUSSCGKSA-N -1 0 348.349 3.514 20 0 EHADRM CCOc1ccc(CNC(=O)c2cc(Cl)c(O)c(OCC)c2)cc1 ZINC000436535046 1025843864 /nfs/dbraw/zinc/84/38/64/1025843864.db2.gz LVTPOGAVNVMOGQ-UHFFFAOYSA-N -1 0 349.814 3.773 20 0 EHADRM Cc1n[nH]cc1CNC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436548453 1025850801 /nfs/dbraw/zinc/85/08/01/1025850801.db2.gz CEBJWIYZBHBWCA-UHFFFAOYSA-N -1 0 341.798 3.674 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000262079938 1025899359 /nfs/dbraw/zinc/89/93/59/1025899359.db2.gz BKDIEXZKLSJOCE-QWHCGFSZSA-N -1 0 337.382 3.897 20 0 EHADRM COc1ccc2occ(C(=O)N=c3cc(-c4ccccc4)[nH][nH]3)c2c1 ZINC000443315445 1025902855 /nfs/dbraw/zinc/90/28/55/1025902855.db2.gz NLPHHCZOEFEYFA-UHFFFAOYSA-N -1 0 333.347 3.506 20 0 EHADRM CCN(c1ccc(C)cc1)S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000392018017 1025906291 /nfs/dbraw/zinc/90/62/91/1025906291.db2.gz VULMMTMIILTFHX-UHFFFAOYSA-N -1 0 347.436 3.525 20 0 EHADRM COc1ncccc1Cc1noc(-c2cc3ccccc3cc2O)n1 ZINC000436595611 1025914704 /nfs/dbraw/zinc/91/47/04/1025914704.db2.gz MJHOXRJDJLJZCS-UHFFFAOYSA-N -1 0 333.347 3.590 20 0 EHADRM CO[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])C1 ZINC000436578446 1025919844 /nfs/dbraw/zinc/91/98/44/1025919844.db2.gz WVMSBLKPZXUNBC-CQSZACIVSA-N -1 0 331.799 3.574 20 0 EHADRM C[C@H]1CC[C@H](N(C)C(=O)c2cc(Br)c(F)cc2[O-])C1 ZINC000451401774 1025926808 /nfs/dbraw/zinc/92/68/08/1025926808.db2.gz UNTYZIMRWCSEKU-IUCAKERBSA-N -1 0 330.197 3.554 20 0 EHADRM Cc1nccn1-c1ccc([C@@H](C)NC(=O)c2ccc(F)cc2[O-])cc1 ZINC000436591043 1025929806 /nfs/dbraw/zinc/92/98/06/1025929806.db2.gz VHHCQZZVFMMKKH-GFCCVEGCSA-N -1 0 339.370 3.516 20 0 EHADRM Cc1cc(CN=c2[n-]nc(Cc3cccc(F)c3)o2)cc2cccnc12 ZINC000342502005 1025935461 /nfs/dbraw/zinc/93/54/61/1025935461.db2.gz FGAMKLHEOKRJLT-UHFFFAOYSA-N -1 0 348.381 3.690 20 0 EHADRM O=C(N=c1nc(-c2cccnc2)[n-]s1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000329518714 1025948641 /nfs/dbraw/zinc/94/86/41/1025948641.db2.gz FBOHMPKXDLIRJS-VHDGCEQUSA-N -1 0 342.468 3.567 20 0 EHADRM CC(C)c1cccnc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000443408952 1025988157 /nfs/dbraw/zinc/98/81/57/1025988157.db2.gz JFECSHALGVQQAI-UHFFFAOYSA-N -1 0 330.453 3.885 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)Cc2c(F)cccc2Cl)c1 ZINC000436643525 1025990746 /nfs/dbraw/zinc/99/07/46/1025990746.db2.gz FPPGLTRUVPLIEU-UHFFFAOYSA-N -1 0 335.762 3.959 20 0 EHADRM Cc1ccccc1C1CC(N(C(=O)CC2(C(=O)[O-])CCC2)C2CC2)C1 ZINC000530540407 1025991657 /nfs/dbraw/zinc/99/16/57/1025991657.db2.gz DKOSNBMZRYGVGG-UHFFFAOYSA-N -1 0 341.451 3.877 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H]2COc3cc(C)c(C)cc32)c1 ZINC000436646807 1025997575 /nfs/dbraw/zinc/99/75/75/1025997575.db2.gz HQSKUXSOLWWTQL-OAHLLOKOSA-N -1 0 339.391 3.716 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)COc2ccc(C)cc2C)c1 ZINC000436648103 1025997867 /nfs/dbraw/zinc/99/78/67/1025997867.db2.gz LDLPHHDIKTYVPN-UHFFFAOYSA-N -1 0 327.380 3.619 20 0 EHADRM O=C(Nc1c[nH]nc1-c1ccccc1F)c1cc(Cl)ccc1[O-] ZINC000436650096 1025998909 /nfs/dbraw/zinc/99/89/09/1025998909.db2.gz YMPBPKUFPIYRBQ-UHFFFAOYSA-N -1 0 331.734 3.827 20 0 EHADRM O=C(c1nn(-c2ccc(Cl)cc2)cc1[O-])N1CC2(C1)CCCCC2 ZINC000329585913 1026035930 /nfs/dbraw/zinc/03/59/30/1026035930.db2.gz YGOPMMOEOWBHCB-UHFFFAOYSA-N -1 0 345.830 3.638 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CCCc2cc(F)ccc2F)c1 ZINC000436683612 1026037739 /nfs/dbraw/zinc/03/77/39/1026037739.db2.gz ZFOGGAIRZXNJIN-UHFFFAOYSA-N -1 0 333.334 3.834 20 0 EHADRM O=C(c1ccc(Cl)c(Cl)c1[O-])N(CCO)CC1CCCCC1 ZINC000436708799 1026050823 /nfs/dbraw/zinc/05/08/23/1026050823.db2.gz YGFAAZAIKYPYLT-UHFFFAOYSA-N -1 0 346.254 3.714 20 0 EHADRM CC(C)Cn1cc(NC(=O)c2ccc(F)cc2[O-])c(C(F)F)n1 ZINC000436696574 1026055103 /nfs/dbraw/zinc/05/51/03/1026055103.db2.gz IYPMPBJEMAFKDS-UHFFFAOYSA-N -1 0 327.306 3.574 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1F ZINC000443453549 1026057943 /nfs/dbraw/zinc/05/79/43/1026057943.db2.gz HSCBLXRIBPVUJD-UHFFFAOYSA-N -1 0 333.306 3.606 20 0 EHADRM O=C(NCC1(C(F)(F)F)CCC1)c1cc(F)cc(Cl)c1[O-] ZINC000436726079 1026074101 /nfs/dbraw/zinc/07/41/01/1026074101.db2.gz SNCPUVBQAOGMRJ-UHFFFAOYSA-N -1 0 325.689 3.647 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2ccn(Cc3ccccc3)c2)c1 ZINC000436710868 1026080175 /nfs/dbraw/zinc/08/01/75/1026080175.db2.gz AEAAYNZMWYBZHS-UHFFFAOYSA-N -1 0 334.375 3.697 20 0 EHADRM COCCN(C(=O)c1ccc(Cl)c(Cl)c1[O-])[C@@H]1CCC[C@@H]1C ZINC000436745989 1026115650 /nfs/dbraw/zinc/11/56/50/1026115650.db2.gz WPGPIRMYNPXRNG-GXFFZTMASA-N -1 0 346.254 3.976 20 0 EHADRM Cc1ccc(C(=O)NCc2ccc(F)cc2C(F)(F)F)c(O)c1 ZINC000436730559 1026120010 /nfs/dbraw/zinc/12/00/10/1026120010.db2.gz LUOSKZXKGFLKTP-UHFFFAOYSA-N -1 0 327.277 3.789 20 0 EHADRM CO[C@H](C)c1nc(=NC(=O)C(C)(C)CCCc2ccccc2)s[n-]1 ZINC000511113681 1026126558 /nfs/dbraw/zinc/12/65/58/1026126558.db2.gz CYMFDUFZTDGJKB-CYBMUJFWSA-N -1 0 347.484 3.655 20 0 EHADRM COCCN(CC(C)C)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436762963 1026132522 /nfs/dbraw/zinc/13/25/22/1026132522.db2.gz VAJJHYBUUOHEOI-UHFFFAOYSA-N -1 0 335.831 3.943 20 0 EHADRM CCCCOc1ccccc1CN=c1[n-]nc(CC(F)(F)F)s1 ZINC000475084437 1026138963 /nfs/dbraw/zinc/13/89/63/1026138963.db2.gz ZBENVKRXORVJKV-UHFFFAOYSA-N -1 0 345.390 3.856 20 0 EHADRM CCCCOC1CCN(C(=O)c2ccc(C(F)(F)F)cc2O)CC1 ZINC000436751357 1026140028 /nfs/dbraw/zinc/14/00/28/1026140028.db2.gz KZENXDHZOIXNRR-UHFFFAOYSA-N -1 0 345.361 3.832 20 0 EHADRM O=C(NCc1cnc2ccccc2c1)c1cc(F)cc(Cl)c1[O-] ZINC000436773208 1026149521 /nfs/dbraw/zinc/14/95/21/1026149521.db2.gz IGGURAHIOOYWSR-UHFFFAOYSA-N -1 0 330.746 3.663 20 0 EHADRM C[C@H]1COCC[C@@H]1C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000192845071 1026398206 /nfs/dbraw/zinc/39/82/06/1026398206.db2.gz LZAXHAMBVWMKMY-BQBZGAKWSA-N -1 0 338.618 3.964 20 0 EHADRM CC[C@H](C)n1ncc(C(=O)NCCCCCCCC(=O)[O-])c1C1CC1 ZINC000277638020 1026408823 /nfs/dbraw/zinc/40/88/23/1026408823.db2.gz KTOPZSMTEWUDEU-AWEZNQCLSA-N -1 0 349.475 3.887 20 0 EHADRM COc1ccc(CNC(=O)c2ccc(C(C)C)s2)cc1C(=O)[O-] ZINC000192848146 1026415713 /nfs/dbraw/zinc/41/57/13/1026415713.db2.gz YSSKJXARRMYFCV-UHFFFAOYSA-N -1 0 333.409 3.508 20 0 EHADRM CCC(C)(C)N(C)C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000684894543 1026434243 /nfs/dbraw/zinc/43/42/43/1026434243.db2.gz GCPPEJPZCIFDCU-CYBMUJFWSA-N -1 0 326.824 3.686 20 0 EHADRM CCC(C)(C)N(C)C(=O)N(CCC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000684895965 1026452204 /nfs/dbraw/zinc/45/22/04/1026452204.db2.gz LEJBXWIKNZRVQB-UHFFFAOYSA-N -1 0 340.851 3.857 20 0 EHADRM CCN(C(=O)N(C)C(C)(C)CC)[C@@H](C(=O)[O-])c1ccc(F)c(F)c1 ZINC000684896196 1026452239 /nfs/dbraw/zinc/45/22/39/1026452239.db2.gz QZMDDFSKSUBCKD-CQSZACIVSA-N -1 0 342.386 3.653 20 0 EHADRM CC(C)c1nc2cc(NC(=O)N3CC[C@H](C)C[C@H]3C(=O)[O-])ccc2o1 ZINC000582524737 1026497099 /nfs/dbraw/zinc/49/70/99/1026497099.db2.gz UWCUUEJIDLXWNC-FZMZJTMJSA-N -1 0 345.399 3.668 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1ccc(OC2CCC2)cc1Cl ZINC000431438316 1026516676 /nfs/dbraw/zinc/51/66/76/1026516676.db2.gz JEDMJALDWHRTQA-UHFFFAOYSA-N -1 0 339.819 3.645 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)CCC1 ZINC000262487738 1026590231 /nfs/dbraw/zinc/59/02/31/1026590231.db2.gz ITFUFMONCBDXMV-KRWDZBQOSA-N -1 0 333.403 3.818 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)s1 ZINC000909580082 1026661018 /nfs/dbraw/zinc/66/10/18/1026661018.db2.gz WVZQJTCUDJHYMD-LBPRGKRZSA-N -1 0 329.421 3.874 20 0 EHADRM Cc1noc(C)c1S(=O)(=O)[N-]c1ncc(-c2cccc(C)c2)s1 ZINC000342670605 1026661260 /nfs/dbraw/zinc/66/12/60/1026661260.db2.gz UHCCWNCOCMLJJI-UHFFFAOYSA-N -1 0 349.437 3.524 20 0 EHADRM Cc1cc(C(=O)[O-])cc(-n2cc(Br)c3cccc(N)c32)c1 ZINC001211550017 1026700456 /nfs/dbraw/zinc/70/04/56/1026700456.db2.gz SFEOTJXGSWKPRS-UHFFFAOYSA-N -1 0 345.196 3.982 20 0 EHADRM OCC[C@@H](Nc1nc(-c2cccc(Cl)c2)no1)c1cccs1 ZINC000301363325 1026777892 /nfs/dbraw/zinc/77/78/92/1026777892.db2.gz PRDDICKCCAPNFB-GFCCVEGCSA-N -1 0 335.816 3.987 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1ccc(OC2CCC2)cc1Cl ZINC000431465136 1026832815 /nfs/dbraw/zinc/83/28/15/1026832815.db2.gz MOWZIKFGDGCNAX-UHFFFAOYSA-N -1 0 339.819 3.597 20 0 EHADRM CCSc1n[n-]c(=NCc2cscc2Br)s1 ZINC000336765901 1026872743 /nfs/dbraw/zinc/87/27/43/1026872743.db2.gz ONJAMCUNYAVEMN-UHFFFAOYSA-N -1 0 336.305 3.508 20 0 EHADRM Cc1ccc(CN=c2[n-]c(-c3cc(Cl)cc(Cl)c3)no2)cn1 ZINC000531385670 1026874603 /nfs/dbraw/zinc/87/46/03/1026874603.db2.gz HTFUXRRVZUMSPI-UHFFFAOYSA-N -1 0 335.194 3.781 20 0 EHADRM CCOc1cc(CC(=O)[O-])c(-c2ccncc2Cl)cc1OCC ZINC000563437387 1026953239 /nfs/dbraw/zinc/95/32/39/1026953239.db2.gz IQRHKXIUDISGKP-UHFFFAOYSA-N -1 0 335.787 3.827 20 0 EHADRM Cc1ccc(C)c(C(=O)NC[C@H]2CCc3ccccc3C2)c1C(=O)[O-] ZINC000634827749 1026954898 /nfs/dbraw/zinc/95/48/98/1026954898.db2.gz FHRCSKHGFPKKHZ-HNNXBMFYSA-N -1 0 337.419 3.537 20 0 EHADRM Cc1ccc(C)c(C(=O)NC[C@@H]2CCc3ccccc3C2)c1C(=O)[O-] ZINC000634827750 1026955021 /nfs/dbraw/zinc/95/50/21/1026955021.db2.gz FHRCSKHGFPKKHZ-OAHLLOKOSA-N -1 0 337.419 3.537 20 0 EHADRM CC[C@@H]1CCN(C(=O)c2nn(-c3cccc(C(C)C)c3)cc2[O-])C1 ZINC000153153285 1027158287 /nfs/dbraw/zinc/15/82/87/1027158287.db2.gz MBRKGTDIDPCILY-CQSZACIVSA-N -1 0 327.428 3.573 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)[nH]n2)cc1 ZINC000126843622 1027247443 /nfs/dbraw/zinc/24/74/43/1027247443.db2.gz TYZWZLKKMXECCH-UHFFFAOYSA-N -1 0 337.470 3.590 20 0 EHADRM CC(C)(C)c1n[n-]c(=NCc2cnc(-c3ccccc3F)s2)o1 ZINC000453046898 1027259499 /nfs/dbraw/zinc/25/94/99/1027259499.db2.gz NVXCPWXSAGAGHS-UHFFFAOYSA-N -1 0 332.404 3.664 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CC[C@H](C(C)C)C3)n2)cc1 ZINC000531775035 1027362515 /nfs/dbraw/zinc/36/25/15/1027362515.db2.gz QGDGUNBSWHJQHE-INIZCTEOSA-N -1 0 341.455 3.819 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc3ccncc32)c(Cl)c1 ZINC000531780506 1027367183 /nfs/dbraw/zinc/36/71/83/1027367183.db2.gz LMGACCHEDWNPLM-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM CSc1cccc(S(=O)(=O)[N-]c2scnc2C2CC2)c1 ZINC000582737461 1027396291 /nfs/dbraw/zinc/39/62/91/1027396291.db2.gz ZSAJMQKGAKQAOX-UHFFFAOYSA-N -1 0 326.468 3.543 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)Nc1cccc(F)c1F)C1CCCCC1 ZINC000237578882 1027487215 /nfs/dbraw/zinc/48/72/15/1027487215.db2.gz QRFQXSQLXHKNEX-KRWDZBQOSA-N -1 0 325.355 3.965 20 0 EHADRM CCOC(=O)C1(C)CCC(Nc2cccc(CCC(=O)[O-])c2)CC1 ZINC000414647001 1027676373 /nfs/dbraw/zinc/67/63/73/1027676373.db2.gz BOLPHMGNMIAHNB-UHFFFAOYSA-N -1 0 333.428 3.628 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)c2cccc3c2CCC3)s[n-]1 ZINC000472260197 1027705815 /nfs/dbraw/zinc/70/58/15/1027705815.db2.gz OKTIIQDGGQOBDO-UHFFFAOYSA-N -1 0 341.461 3.738 20 0 EHADRM Cc1cc(CN(C)C(=O)c2cc(F)c(F)c([O-])c2F)ccc1F ZINC000444441020 1027744922 /nfs/dbraw/zinc/74/49/22/1027744922.db2.gz KTAKNIGZGAWURW-UHFFFAOYSA-N -1 0 327.277 3.529 20 0 EHADRM C[C@H](NC(=O)N=c1cc2ccccn2[nH]1)c1cccc2ccccc21 ZINC000548772778 1027805773 /nfs/dbraw/zinc/80/57/73/1027805773.db2.gz RMCBZJNNCGKVED-AWEZNQCLSA-N -1 0 330.391 3.792 20 0 EHADRM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1 ZINC000509967463 1027812922 /nfs/dbraw/zinc/81/29/22/1027812922.db2.gz AHMXWRJBZZTHFM-SECBINFHSA-N -1 0 347.333 3.591 20 0 EHADRM O=S(=O)(NC[C@@H]1CCCC(F)(F)C1)c1cc2ccccc2o1 ZINC000548773753 1027830321 /nfs/dbraw/zinc/83/03/21/1027830321.db2.gz RHWODZKQJBTDOC-LLVKDONJSA-N -1 0 329.368 3.537 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N2CC3(CCC3)[C@@H]2c2ccco2)s1 ZINC000454246378 1027833614 /nfs/dbraw/zinc/83/36/14/1027833614.db2.gz SKECWFLGAUSZBQ-AWEZNQCLSA-N -1 0 346.456 3.655 20 0 EHADRM O=C(Nc1ccc(Nc2ncccn2)cc1)c1ccc([O-])c(Cl)c1 ZINC000444609077 1028073231 /nfs/dbraw/zinc/07/32/31/1028073231.db2.gz NCAFJNXRWHTZLO-UHFFFAOYSA-N -1 0 340.770 3.832 20 0 EHADRM Cc1nc2ccc(C(=O)Nc3ccc(Cl)cc3O)cc2nc1C ZINC000533618413 1028163655 /nfs/dbraw/zinc/16/36/55/1028163655.db2.gz JBJZDRDWEBXZPN-UHFFFAOYSA-N -1 0 327.771 3.858 20 0 EHADRM Cc1nc(Nc2cc(Cl)cc(C(=O)[O-])c2)cnc1Br ZINC001211958398 1028170505 /nfs/dbraw/zinc/17/05/05/1028170505.db2.gz OQLOBWXXMVCIHO-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM COc1cccc(-n2nccc2Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC001211962425 1028216750 /nfs/dbraw/zinc/21/67/50/1028216750.db2.gz DISPZKBNXZIGRX-UHFFFAOYSA-N -1 0 343.770 3.976 20 0 EHADRM CC(C)Oc1ccc(CNC(=O)CC2(C(=O)[O-])CCCCCC2)cc1 ZINC000502480484 1028255591 /nfs/dbraw/zinc/25/55/91/1028255591.db2.gz YCHMYSUAEMXJTO-UHFFFAOYSA-N -1 0 347.455 3.905 20 0 EHADRM CC(C)[C@@H]1CCCN(C(=O)N=c2[n-]nc(-c3ccsc3)s2)C1 ZINC000444826427 1028309284 /nfs/dbraw/zinc/30/92/84/1028309284.db2.gz MQGAVFBSVXJELW-LLVKDONJSA-N -1 0 336.486 3.588 20 0 EHADRM CCCc1ncc(C(=O)N=c2cc(-c3cc(C)ccc3F)[nH][nH]2)s1 ZINC000444814207 1028318482 /nfs/dbraw/zinc/31/84/82/1028318482.db2.gz SJHJEIQCXWYDAY-UHFFFAOYSA-N -1 0 344.415 3.607 20 0 EHADRM [O-]c1nnn(-c2ccccc2)c1CN1CCC[C@H]1/C=C\c1ccccc1 ZINC000504019340 1028339581 /nfs/dbraw/zinc/33/95/81/1028339581.db2.gz GKKHBMUUCMGBHI-HWOXTHGCSA-N -1 0 346.434 3.651 20 0 EHADRM Cc1ccc2nc(C)c(C(=O)N(CC(=O)[O-])Cc3ccccc3)cc2c1 ZINC000347375463 1028436427 /nfs/dbraw/zinc/43/64/27/1028436427.db2.gz SGYRTYGZPXAHBV-UHFFFAOYSA-N -1 0 348.402 3.579 20 0 EHADRM COC(=O)c1nc2cc(Nc3cc(Cl)cc(C(=O)[O-])c3)ccc2o1 ZINC001211969662 1028438980 /nfs/dbraw/zinc/43/89/80/1028438980.db2.gz UHMJJICJUYXEPA-UHFFFAOYSA-N -1 0 346.726 3.710 20 0 EHADRM O=C(Nc1nc(C2CC2)cs1)c1cc(Br)ccc1O ZINC000025560573 1028514152 /nfs/dbraw/zinc/51/41/52/1028514152.db2.gz KNWUXGUGPMYSST-UHFFFAOYSA-N -1 0 339.214 3.741 20 0 EHADRM C[C@H](c1ccc(Cl)cc1Cl)S(=O)(=O)c1n[nH]c(C2CC2)n1 ZINC000194816183 1028551486 /nfs/dbraw/zinc/55/14/86/1028551486.db2.gz YGGCLLZAGHDZPU-SSDOTTSWSA-N -1 0 346.239 3.524 20 0 EHADRM Cc1ccc(C(C)C)c(OCC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000236725435 1028577238 /nfs/dbraw/zinc/57/72/38/1028577238.db2.gz CXVYSQBOYKUIGR-MRXNPFEDSA-N -1 0 347.455 3.743 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cnn(C(C)C)c2)cccc1C(F)(F)F ZINC000122211883 1028583656 /nfs/dbraw/zinc/58/36/56/1028583656.db2.gz HAPCAYHCWFTCPD-UHFFFAOYSA-N -1 0 347.362 3.592 20 0 EHADRM CC[C@@H](C)c1cc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])on1 ZINC000236888314 1028592719 /nfs/dbraw/zinc/59/27/19/1028592719.db2.gz WVDDLSQCUYEPOP-ZIAGYGMSSA-N -1 0 344.411 3.551 20 0 EHADRM CCOc1cccc2cc([C@H](C)NC(=O)c3ccc(C(=O)[O-])o3)oc21 ZINC000236990696 1028607625 /nfs/dbraw/zinc/60/76/25/1028607625.db2.gz GAELBIWCHGBKMG-JTQLQIEISA-N -1 0 343.335 3.614 20 0 EHADRM CC(=O)Nc1ccc(-c2noc(-c3ccc([O-])c(Cl)c3)n2)cc1 ZINC000445202571 1028613820 /nfs/dbraw/zinc/61/38/20/1028613820.db2.gz DZNBJRCFUUIPOT-UHFFFAOYSA-N -1 0 329.743 3.721 20 0 EHADRM C[C@@H](CCC1CCCCC1)NC(=O)N=c1[n-]nc(C(F)F)s1 ZINC000523783119 1028618685 /nfs/dbraw/zinc/61/86/85/1028618685.db2.gz UPUIKPZBOBUUSJ-VIFPVBQESA-N -1 0 332.420 3.768 20 0 EHADRM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc3cccnc32)cc1 ZINC000074826906 1028634235 /nfs/dbraw/zinc/63/42/35/1028634235.db2.gz SYEKMALSHDKFQE-UHFFFAOYSA-N -1 0 342.420 3.823 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccc(C(=O)[O-])cc2)C2CC2)o1 ZINC000237366544 1028646316 /nfs/dbraw/zinc/64/63/16/1028646316.db2.gz ULEGCMHJDUENOX-PXAZEXFGSA-N -1 0 339.391 3.906 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000237406746 1028649808 /nfs/dbraw/zinc/64/98/08/1028649808.db2.gz ATFGLRJPYZTIEI-LLVKDONJSA-N -1 0 337.828 3.765 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000237424093 1028650427 /nfs/dbraw/zinc/65/04/27/1028650427.db2.gz SLIWVZYPHQZEIZ-LLVKDONJSA-N -1 0 349.333 3.740 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000523845867 1028671139 /nfs/dbraw/zinc/67/11/39/1028671139.db2.gz LKCFFQVQFRKUQN-UHFFFAOYSA-N -1 0 327.387 3.599 20 0 EHADRM Cc1ccc2oc(C(=O)N[C@@H](CC(=O)[O-])c3ccccc3C)cc2c1 ZINC000237910301 1028671406 /nfs/dbraw/zinc/67/14/06/1028671406.db2.gz MZEYEIGDESCZNJ-INIZCTEOSA-N -1 0 337.375 3.995 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Cc1cc(Cl)ccc1Cl ZINC000237986150 1028673297 /nfs/dbraw/zinc/67/32/97/1028673297.db2.gz TZWRJTGLSJCMIW-CYBMUJFWSA-N -1 0 344.238 3.782 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)c1 ZINC000238126469 1028678622 /nfs/dbraw/zinc/67/86/22/1028678622.db2.gz HLWVLJIOPRYJIB-CABCVRRESA-N -1 0 329.783 3.709 20 0 EHADRM Clc1cc(Cl)cc(-c2n[n-]c(=NC[C@@H]3CCCO3)s2)c1 ZINC000504525625 1028711518 /nfs/dbraw/zinc/71/15/18/1028711518.db2.gz LENGCTTUSGOKHX-NSHDSACASA-N -1 0 330.240 3.525 20 0 EHADRM O=C(Cc1[nH]nc2ccccc21)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000502873694 1028764271 /nfs/dbraw/zinc/76/42/71/1028764271.db2.gz ZVXYEGUCZMHILZ-UHFFFAOYSA-N -1 0 336.178 3.757 20 0 EHADRM CCC(CC)(CC(=O)N[C@@H](CC(F)F)c1ccccc1)C(=O)[O-] ZINC000421799224 1028788515 /nfs/dbraw/zinc/78/85/15/1028788515.db2.gz ARBXCHICHVXJQO-ZDUSSCGKSA-N -1 0 327.371 3.780 20 0 EHADRM [O-]c1cc(Cl)ccc1-c1nc(-c2ccc(OC(F)F)cn2)no1 ZINC000445512236 1028871131 /nfs/dbraw/zinc/87/11/31/1028871131.db2.gz LPLUHQSKYZPTEA-UHFFFAOYSA-N -1 0 339.685 3.759 20 0 EHADRM O=C([O-])c1ccc2c(c1)nc(/C=C/c1cnccn1)n2-c1ccccc1 ZINC000514691287 1028877176 /nfs/dbraw/zinc/87/71/76/1028877176.db2.gz YFKBIHBLKFGOAL-VQHVLOKHSA-N -1 0 342.358 3.684 20 0 EHADRM C[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)[C@@H]1C(=O)[O-] ZINC000424260730 1028914736 /nfs/dbraw/zinc/91/47/36/1028914736.db2.gz PMDWQAPLNOQNHO-ZBEGNZNMSA-N -1 0 347.798 3.925 20 0 EHADRM CCCn1c(CNc2cc(C(=O)[O-])ccc2OC)nc2ccccc21 ZINC000327457661 1028920147 /nfs/dbraw/zinc/92/01/47/1028920147.db2.gz VXHWVAMFJAVSJQ-UHFFFAOYSA-N -1 0 339.395 3.765 20 0 EHADRM C[C@H](CC(=O)N=c1nc(C(C)(C)C)[n-]s1)c1ccc(F)cc1F ZINC000502986303 1028928232 /nfs/dbraw/zinc/92/82/32/1028928232.db2.gz XMDNPFCRPDFSSO-SECBINFHSA-N -1 0 339.411 3.668 20 0 EHADRM CC[C@H]1CCCC[C@H]1C(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)ccc1C ZINC000583154117 1029029859 /nfs/dbraw/zinc/02/98/59/1029029859.db2.gz UJXIEGCLGWACSE-GXTWGEPZSA-N -1 0 328.416 3.641 20 0 EHADRM COc1ccccc1C(C)(C)c1noc(-c2ccc(O)cc2F)n1 ZINC000445684331 1029040494 /nfs/dbraw/zinc/04/04/94/1029040494.db2.gz NXZMVOLFVNEBFO-UHFFFAOYSA-N -1 0 328.343 3.916 20 0 EHADRM COc1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000424425721 1029047661 /nfs/dbraw/zinc/04/76/61/1029047661.db2.gz ZJMVIOSHVMKLMT-NOZJJQNGSA-N -1 0 332.227 3.687 20 0 EHADRM CCCc1n[n-]c(=NC(=O)NCc2ccc(Cl)cc2Cl)s1 ZINC000503147292 1029088781 /nfs/dbraw/zinc/08/87/81/1029088781.db2.gz PVWGNWKQISMSEO-UHFFFAOYSA-N -1 0 345.255 3.541 20 0 EHADRM CCc1ccc(CN(C(=O)N=c2ccc(C3CC3)n[n-]2)C2CC2)cc1 ZINC000532985350 1029143111 /nfs/dbraw/zinc/14/31/11/1029143111.db2.gz UWNVINSKKHSGAJ-UHFFFAOYSA-N -1 0 336.439 3.535 20 0 EHADRM CCC[C@@H](CC)NC(=O)N=c1[n-]nc(Cc2ccc(C)cc2)s1 ZINC000524565577 1029305649 /nfs/dbraw/zinc/30/56/49/1029305649.db2.gz ZMVBCIVSIGQJTH-CQSZACIVSA-N -1 0 332.473 3.559 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cccc(Br)c2[O-])C[C@@H](C)C1 ZINC000533112082 1029341433 /nfs/dbraw/zinc/34/14/33/1029341433.db2.gz ZIAMALAQCZLXHG-MNOVXSKESA-N -1 0 326.234 3.663 20 0 EHADRM CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2c([O-])cccc2F)c1 ZINC000124883263 1029357206 /nfs/dbraw/zinc/35/72/06/1029357206.db2.gz UPVLPKOZLXYBMR-XMMPIXPASA-N -1 0 349.427 3.831 20 0 EHADRM O=C([O-])c1cc(/C=C/c2ccc(OCc3ccccc3)cc2)ncn1 ZINC000533124027 1029377917 /nfs/dbraw/zinc/37/79/17/1029377917.db2.gz TULTXPCYSFVKPV-RMKNXTFCSA-N -1 0 332.359 3.924 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2OC)cc1C ZINC000614865916 1029388948 /nfs/dbraw/zinc/38/89/48/1029388948.db2.gz FSSIAZRAKPLFTH-UHFFFAOYSA-N -1 0 335.425 3.512 20 0 EHADRM CCc1oc(C(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)cc1C(=O)[O-] ZINC000261605413 1029460286 /nfs/dbraw/zinc/46/02/86/1029460286.db2.gz DITSXEKCZFMDKI-DGCLKSJQSA-N -1 0 345.370 3.698 20 0 EHADRM CCc1oc(C(=O)N2CCC[C@H]2/C=C/c2ccccc2)cc1C(=O)[O-] ZINC000261734495 1029491259 /nfs/dbraw/zinc/49/12/59/1029491259.db2.gz YPDSUKSJPIIYIL-NKSUMMKUSA-N -1 0 339.391 3.858 20 0 EHADRM O=C([O-])[C@H]1CCCN1C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000404241085 1029513648 /nfs/dbraw/zinc/51/36/48/1029513648.db2.gz FPXFHYCUTMNLGT-SECBINFHSA-N -1 0 337.590 3.728 20 0 EHADRM CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(C)[C@@H](C)CC(=O)[O-] ZINC000583275017 1029516030 /nfs/dbraw/zinc/51/60/30/1029516030.db2.gz YBTHAYPISVWXNU-WCQYABFASA-N -1 0 345.361 3.596 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2sc(C(C)(C)C)nc2C)c1 ZINC000272673392 1029559514 /nfs/dbraw/zinc/55/95/14/1029559514.db2.gz LBFFTHAIFRNTHO-UHFFFAOYSA-N -1 0 332.425 3.910 20 0 EHADRM C[C@@H](CN(C)C(=O)CC1(CC(=O)[O-])CCCCC1)c1nccs1 ZINC000634905945 1029581689 /nfs/dbraw/zinc/58/16/89/1029581689.db2.gz AEHKNXWBRCOOCL-ZDUSSCGKSA-N -1 0 338.473 3.520 20 0 EHADRM O=C([N-]c1nc(-c2ccccc2)ns1)c1c(F)ccc(F)c1F ZINC000162399009 1029598587 /nfs/dbraw/zinc/59/85/87/1029598587.db2.gz GXJQYHCLEJKJAM-UHFFFAOYSA-N -1 0 335.310 3.875 20 0 EHADRM Cc1nc(-c2ccccc2)ccc1C(=O)N[C@](C)(CC(=O)[O-])C(C)C ZINC000262840597 1029643081 /nfs/dbraw/zinc/64/30/81/1029643081.db2.gz CZIIRIMCWTVRTL-HXUWFJFHSA-N -1 0 340.423 3.676 20 0 EHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)CCCc1ccc(Cl)cc1 ZINC000262902364 1029650478 /nfs/dbraw/zinc/65/04/78/1029650478.db2.gz IEQIRJQQCAVLFZ-QGZVFWFLSA-N -1 0 325.836 3.668 20 0 EHADRM COc1cc(NC(=O)CC[C@@H](C)c2ccccc2)ccc1C(=O)[O-] ZINC000262932101 1029651635 /nfs/dbraw/zinc/65/16/35/1029651635.db2.gz LIZZDXWCRMUTIQ-CYBMUJFWSA-N -1 0 327.380 3.916 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000262956364 1029653327 /nfs/dbraw/zinc/65/33/27/1029653327.db2.gz NKNQNZXKCZSGAX-CZUORRHYSA-N -1 0 337.847 3.765 20 0 EHADRM CC[C@H](C)n1nc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)cc1C ZINC000263081754 1029664872 /nfs/dbraw/zinc/66/48/72/1029664872.db2.gz RFWHZIMGLGEBDH-LBPRGKRZSA-N -1 0 344.415 3.824 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1nc(-c2ccccc2Cl)cs1)C1CC1 ZINC000263156461 1029669710 /nfs/dbraw/zinc/66/97/10/1029669710.db2.gz QABPUQCAXAYDGE-JTQLQIEISA-N -1 0 336.844 3.901 20 0 EHADRM CC(C)Sc1ccccc1NC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263179654 1029671309 /nfs/dbraw/zinc/67/13/09/1029671309.db2.gz UBPVJJAPQQDDDE-STQMWFEESA-N -1 0 336.457 3.762 20 0 EHADRM CC(C)(C)Cc1nc2cc(NC(=O)[C@@H]3CC[C@H](C(=O)[O-])C3)ccc2o1 ZINC000263169162 1029671939 /nfs/dbraw/zinc/67/19/39/1029671939.db2.gz FRIVXBXFWUIZDI-NEPJUHHUSA-N -1 0 344.411 3.856 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)[C@H]1CCSc2ccccc21 ZINC000263207849 1029674494 /nfs/dbraw/zinc/67/44/94/1029674494.db2.gz WCOAITJQAYTXAM-HIFRSBDPSA-N -1 0 333.453 3.512 20 0 EHADRM CC[C@H](CC(=O)NCc1ccc(C(=O)[O-])s1)c1ccc(C)cc1 ZINC000263249826 1029680271 /nfs/dbraw/zinc/68/02/71/1029680271.db2.gz SQEXKXRFHHFJPT-CYBMUJFWSA-N -1 0 331.437 3.955 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N3CCC[C@H](C(=O)[O-])[C@@H]3C)o2)cc1 ZINC000263322864 1029687742 /nfs/dbraw/zinc/68/77/42/1029687742.db2.gz JXQBIXNJZGIXAD-BBRMVZONSA-N -1 0 341.407 3.834 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)c1 ZINC000263330675 1029689043 /nfs/dbraw/zinc/68/90/43/1029689043.db2.gz PUNVYSYNHSCWGG-JQAFLVLXSA-N -1 0 345.345 3.895 20 0 EHADRM CC(C)c1ccc([C@H]2C[C@H]2C(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)cc1 ZINC000263383693 1029693695 /nfs/dbraw/zinc/69/36/95/1029693695.db2.gz XTIHAXZBAZWNTH-VIBAHUMZSA-N -1 0 329.440 3.625 20 0 EHADRM Cc1ccccc1C1(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)CCC1 ZINC000263426489 1029696742 /nfs/dbraw/zinc/69/67/42/1029696742.db2.gz MHLQPOIASHWUOQ-INIZCTEOSA-N -1 0 329.440 3.520 20 0 EHADRM C[C@@H](Nc1cccc(C(=O)[O-])n1)c1ccc(OCC(F)(F)F)cc1 ZINC000263482561 1029701808 /nfs/dbraw/zinc/70/18/08/1029701808.db2.gz GQJMQFJLCLQPGN-SNVBAGLBSA-N -1 0 340.301 3.894 20 0 EHADRM C[C@@H]1CCN(C(=O)NCc2ccc(C(=O)[O-])cc2)[C@H](c2ccco2)C1 ZINC000263485036 1029703270 /nfs/dbraw/zinc/70/32/70/1029703270.db2.gz PDXJOLDZOWHRHI-CJNGLKHVSA-N -1 0 342.395 3.661 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CCC(c3ccc(Cl)cc3)CC2)C1 ZINC000263527607 1029708798 /nfs/dbraw/zinc/70/87/98/1029708798.db2.gz KTVBVUJKOVSCAM-CVEARBPZSA-N -1 0 349.858 3.937 20 0 EHADRM O=C([O-])[C@@]12CCC[C@H]1CN(c1nc(-c3ccccc3F)cs1)C2 ZINC000263549195 1029711142 /nfs/dbraw/zinc/71/11/42/1029711142.db2.gz JNRPURIWAIHMFF-APPDUMDISA-N -1 0 332.400 3.640 20 0 EHADRM COc1cccc(F)c1[C@H](C)N=c1[n-]nc(-c2ccccc2)s1 ZINC000525193821 1029747352 /nfs/dbraw/zinc/74/73/52/1029747352.db2.gz YXRCQTCVWVETOF-NSHDSACASA-N -1 0 329.400 3.948 20 0 EHADRM CC1(C)CCC[C@H](CC(=O)N=c2nc(-c3cccnc3)[n-]s2)C1 ZINC000533731468 1029747954 /nfs/dbraw/zinc/74/79/54/1029747954.db2.gz LBTJSHMFCMZDQP-GFCCVEGCSA-N -1 0 330.457 3.567 20 0 EHADRM CCc1n[nH]c(NS(=O)(=O)Cc2ccc(Cl)cc2Cl)c1C ZINC000446766935 1029787547 /nfs/dbraw/zinc/78/75/47/1029787547.db2.gz GSXYLXUWSBWXPO-UHFFFAOYSA-N -1 0 348.255 3.529 20 0 EHADRM C[C@@H](NC(=O)N=c1[n-]nc(C2CC2)s1)c1ccc(C2CC2)cc1 ZINC000583429793 1029820203 /nfs/dbraw/zinc/82/02/03/1029820203.db2.gz DVEKLFCFHLEJKJ-SNVBAGLBSA-N -1 0 328.441 3.598 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)COc3cccc(F)c3)ccc2s1 ZINC000537626288 1029905402 /nfs/dbraw/zinc/90/54/02/1029905402.db2.gz MIOGFYDENABSBE-UHFFFAOYSA-N -1 0 345.351 3.756 20 0 EHADRM [O-]c1c(Br)cc(CN2CC=CCC2)cc1Br ZINC000667946758 1029940640 /nfs/dbraw/zinc/94/06/40/1029940640.db2.gz WAUGJFRVQWAIPT-UHFFFAOYSA-N -1 0 347.050 3.679 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)[O-] ZINC000455928039 1030029883 /nfs/dbraw/zinc/02/98/83/1030029883.db2.gz OYKURTLSQQFOSL-HNNXBMFYSA-N -1 0 349.814 3.791 20 0 EHADRM Cc1cnc(C2CCN(C(=O)c3ccc([O-])c(Cl)c3)CC2)s1 ZINC000278305703 1030076111 /nfs/dbraw/zinc/07/61/11/1030076111.db2.gz XXYBFAGLJZGQHT-UHFFFAOYSA-N -1 0 336.844 3.830 20 0 EHADRM CC(C)(CCCNC(=O)N1CCC(Cc2ccccc2)CC1)C(=O)[O-] ZINC000556045445 1030102195 /nfs/dbraw/zinc/10/21/95/1030102195.db2.gz VEAWQTCILACWGJ-UHFFFAOYSA-N -1 0 346.471 3.542 20 0 EHADRM CN(C(=O)N1CCC[C@@H]1c1ccc(C(=O)[O-])s1)C1CCCCC1 ZINC000556045229 1030102916 /nfs/dbraw/zinc/10/29/16/1030102916.db2.gz JGSIIOVIIZFPQO-CYBMUJFWSA-N -1 0 336.457 3.968 20 0 EHADRM CCSCc1ccnc([N-]S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000090367854 1030104504 /nfs/dbraw/zinc/10/45/04/1030104504.db2.gz SXZTUVKKSIDAJP-UHFFFAOYSA-N -1 0 336.482 3.752 20 0 EHADRM CCOc1ccccc1N=c1[n-]nc(S[C@@H](C)CCOC)s1 ZINC000447350284 1030130442 /nfs/dbraw/zinc/13/04/42/1030130442.db2.gz QXKAAXIXHPPNES-NSHDSACASA-N -1 0 339.486 3.619 20 0 EHADRM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1cc(C(C)(C)C)no1 ZINC000481964645 1030146386 /nfs/dbraw/zinc/14/63/86/1030146386.db2.gz PEUDJPUAALWYNV-UHFFFAOYSA-N -1 0 345.424 3.630 20 0 EHADRM O=C([O-])C1(CC(=O)NCc2ccc3ncccc3c2)CCCCCC1 ZINC000525972162 1030261610 /nfs/dbraw/zinc/26/16/10/1030261610.db2.gz IUAPKOHJCXZEQA-UHFFFAOYSA-N -1 0 340.423 3.666 20 0 EHADRM C[C@@H](NC(=O)N=c1[n-]nc(C(F)F)s1)c1ccc(C2CC2)cc1 ZINC000583613571 1030290567 /nfs/dbraw/zinc/29/05/67/1030290567.db2.gz SDYDHISSGZPLBB-MRVPVSSYSA-N -1 0 338.383 3.658 20 0 EHADRM C[C@H](NC(=O)N=c1[n-]nc(C(F)F)s1)c1ccc(C2CC2)cc1 ZINC000583613572 1030291424 /nfs/dbraw/zinc/29/14/24/1030291424.db2.gz SDYDHISSGZPLBB-QMMMGPOBSA-N -1 0 338.383 3.658 20 0 EHADRM CC(C)Oc1ccccc1[C@H](C)NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000567968990 1030431051 /nfs/dbraw/zinc/43/10/51/1030431051.db2.gz IGLZIJHTKIQTNZ-FHERZECASA-N -1 0 347.455 3.932 20 0 EHADRM Cc1nc2cc(NC(=O)c3cccc(Br)c3[O-])ccc2[nH]1 ZINC000532190925 1030466216 /nfs/dbraw/zinc/46/62/16/1030466216.db2.gz ZAVLBIMWAPQTGU-UHFFFAOYSA-N -1 0 346.184 3.592 20 0 EHADRM COC(=O)c1sc2ncccc2c1Nc1ccc(C)c(C(=O)[O-])c1 ZINC001211594032 1030469900 /nfs/dbraw/zinc/46/99/00/1030469900.db2.gz JILGLEDKEBMUAK-UHFFFAOYSA-N -1 0 342.376 3.833 20 0 EHADRM COCC1(C)CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])C1 ZINC000447828079 1030517062 /nfs/dbraw/zinc/51/70/62/1030517062.db2.gz DHSJGMVNJDQSSP-UHFFFAOYSA-N -1 0 345.826 3.821 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1C ZINC000122212783 1030530747 /nfs/dbraw/zinc/53/07/47/1030530747.db2.gz SBTFLKJBYRMKND-UHFFFAOYSA-N -1 0 345.342 3.823 20 0 EHADRM CO[C@@H]1CCC[C@H](CC(=O)Nc2ccc(Br)cc2O)C1 ZINC000526981526 1030539454 /nfs/dbraw/zinc/53/94/54/1030539454.db2.gz KMWJSGQVNSFIQC-CMPLNLGQSA-N -1 0 342.233 3.689 20 0 EHADRM Cc1cc(Br)c(O)c(NC(=O)[C@@H](C)C(F)(F)F)c1 ZINC000482609632 1030573969 /nfs/dbraw/zinc/57/39/69/1030573969.db2.gz UQQVOGHWAGZXNI-ZCFIWIBFSA-N -1 0 326.112 3.600 20 0 EHADRM CCSc1n[n-]c(=NCc2c(OC)ccc3ccccc32)s1 ZINC000447951471 1030601416 /nfs/dbraw/zinc/60/14/16/1030601416.db2.gz FHQORGDBZNQTEB-UHFFFAOYSA-N -1 0 331.466 3.846 20 0 EHADRM Cc1cc(C2CC2)nc([N-]S(=O)(=O)/C=C\c2cccc(Cl)c2)n1 ZINC000588581673 1030611015 /nfs/dbraw/zinc/61/10/15/1030611015.db2.gz KLLGOTDFPXDHTA-FPLPWBNLSA-N -1 0 349.843 3.728 20 0 EHADRM CCSc1n[n-]c(=NCc2cnc(-c3ccccc3)s2)s1 ZINC000447966132 1030614306 /nfs/dbraw/zinc/61/43/06/1030614306.db2.gz RHFBSDYSBCIUOZ-UHFFFAOYSA-N -1 0 334.495 3.808 20 0 EHADRM CC(C)(C)c1nsc([N-]C(=O)c2cc(-c3ccc(F)cc3)no2)n1 ZINC000668098423 1030618806 /nfs/dbraw/zinc/61/88/06/1030618806.db2.gz IIJLMOXYMJYWIR-UHFFFAOYSA-N -1 0 346.387 3.882 20 0 EHADRM C[C@@H]1CCC[C@@H](C)N1C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000194033915 1030641549 /nfs/dbraw/zinc/64/15/49/1030641549.db2.gz MHPVAXKIXAMUEW-VXGBXAGGSA-N -1 0 333.819 3.634 20 0 EHADRM Cc1cc(NC(=O)N=c2nc(-c3ccsc3)[n-]s2)cc(C)c1O ZINC000447991239 1030643218 /nfs/dbraw/zinc/64/32/18/1030643218.db2.gz OAJGOADPMIWWIZ-UHFFFAOYSA-N -1 0 346.437 3.655 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)Nc2ccccc2N2CCCCC2)co1 ZINC000901881711 1030722192 /nfs/dbraw/zinc/72/21/92/1030722192.db2.gz HDKYGTPOHDYGRG-CMDGGOBGSA-N -1 0 340.379 3.620 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)N=c1ccc(C2CC2)n[n-]1)c1ccc(F)cc1 ZINC000448144788 1030751387 /nfs/dbraw/zinc/75/13/87/1030751387.db2.gz GOAODDWLFJWZKP-KRWDZBQOSA-N -1 0 342.418 3.824 20 0 EHADRM Cc1ccc2cc(C(=O)N=c3[n-]nc(-c4ccccc4)s3)ccc2n1 ZINC000448153164 1030774134 /nfs/dbraw/zinc/77/41/34/1030774134.db2.gz DWEOXPFDWDEUDN-UHFFFAOYSA-N -1 0 346.415 3.736 20 0 EHADRM CC[C@H](NC(=O)N=c1ccc(C2CC2)n[n-]1)c1ccc(Cl)cc1 ZINC000448154587 1030778023 /nfs/dbraw/zinc/77/80/23/1030778023.db2.gz IVVUVPRLLLACSO-AWEZNQCLSA-N -1 0 330.819 3.702 20 0 EHADRM Cc1cc([C@@H](NC(=O)N=c2[n-]nc(C3CC3)s2)C2CC2)ccc1F ZINC000550917718 1030795338 /nfs/dbraw/zinc/79/53/38/1030795338.db2.gz WTVWDWHSIVYDGJ-AWEZNQCLSA-N -1 0 346.431 3.558 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2cccnc2C(F)(F)F)cc1 ZINC000343422576 1030821130 /nfs/dbraw/zinc/82/11/30/1030821130.db2.gz VOFFYRHECFSGQB-UHFFFAOYSA-N -1 0 348.371 3.623 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(c2ncnc3sc4ccccc4c32)C1 ZINC000583815479 1030823934 /nfs/dbraw/zinc/82/39/34/1030823934.db2.gz OCIQMPSVKWCBCI-SFHVURJKSA-N -1 0 341.436 3.782 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)C[C@H](C)c2ccccc2)sc1C(=O)[O-] ZINC000237528967 1030887808 /nfs/dbraw/zinc/88/78/08/1030887808.db2.gz FYGHDJNHZLYBNZ-CMPLNLGQSA-N -1 0 332.425 3.521 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)N=c2[nH]n(CC(F)(F)F)cc2Cl)C1(C)C ZINC000648434002 1030908165 /nfs/dbraw/zinc/90/81/65/1030908165.db2.gz YFWIXONOOPHITR-MWLCHTKSSA-N -1 0 349.784 3.698 20 0 EHADRM O=C(Nc1cccc(-c2ncc[nH]2)c1)c1cc(F)c([O-])c(Cl)c1 ZINC000194581893 1030910292 /nfs/dbraw/zinc/91/02/92/1030910292.db2.gz KWYYWEXMUDDOCE-UHFFFAOYSA-N -1 0 331.734 3.827 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000262793138 1030911150 /nfs/dbraw/zinc/91/11/50/1030911150.db2.gz QDKGMRLQELFEEW-ZDUSSCGKSA-N -1 0 345.826 3.875 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000262815918 1030923963 /nfs/dbraw/zinc/92/39/63/1030923963.db2.gz ALTBIDBGFOOVIP-KCPJHIHWSA-N -1 0 329.421 3.987 20 0 EHADRM Cc1sc(C(=O)N[C@@H](C)CCC(=O)[O-])cc1-c1ccc(F)cc1 ZINC000237530901 1030924593 /nfs/dbraw/zinc/92/45/93/1030924593.db2.gz YEQCQTAEIYUODN-JTQLQIEISA-N -1 0 335.400 3.846 20 0 EHADRM CCSCc1cccc([N-]S(=O)(=O)c2cnn(C(C)C)c2)c1 ZINC000157873894 1030925372 /nfs/dbraw/zinc/92/53/72/1030925372.db2.gz XKJBVASRVJYDRL-UHFFFAOYSA-N -1 0 339.486 3.518 20 0 EHADRM Cc1cnc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c(O)c1 ZINC000460507754 1030927960 /nfs/dbraw/zinc/92/79/60/1030927960.db2.gz MOLXVRGXHUMRPE-UHFFFAOYSA-N -1 0 332.403 3.938 20 0 EHADRM CCc1c(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cnn1CC(C)C ZINC000262877605 1030937340 /nfs/dbraw/zinc/93/73/40/1030937340.db2.gz XIKCAMFOSYWDOM-UHFFFAOYSA-N -1 0 343.427 3.669 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)N(Cc1ccccc1)C1CC1 ZINC000448360872 1030985910 /nfs/dbraw/zinc/98/59/10/1030985910.db2.gz UWVOJLALRDWKNR-UHFFFAOYSA-N -1 0 344.418 3.762 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCCC[C@@H](C)C3)n2)cc1 ZINC000476818002 1030999116 /nfs/dbraw/zinc/99/91/16/1030999116.db2.gz DBHYCPBTWAFRSH-OAHLLOKOSA-N -1 0 341.455 3.964 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2F)no1 ZINC000476912792 1031066016 /nfs/dbraw/zinc/06/60/16/1031066016.db2.gz ZOJXYPAJALQFFO-UHFFFAOYSA-N -1 0 332.784 3.565 20 0 EHADRM CCC(CC)n1ccc(C(=O)N=c2cc(-c3ccccc3F)o[nH]2)n1 ZINC000448490252 1031135586 /nfs/dbraw/zinc/13/55/86/1031135586.db2.gz AVDOXBTUCHDQAD-UHFFFAOYSA-N -1 0 342.374 3.713 20 0 EHADRM O=C(N=c1cc(-c2ccccc2F)o[nH]1)c1cc2cc(F)ccc2[nH]1 ZINC000448491254 1031138346 /nfs/dbraw/zinc/13/83/46/1031138346.db2.gz GIGXYKKABWKHTR-UHFFFAOYSA-N -1 0 339.301 3.775 20 0 EHADRM CC[C@H](C)c1cc(C(=O)N=c2cc(-c3cccc(F)c3)o[nH]2)on1 ZINC000448538431 1031183690 /nfs/dbraw/zinc/18/36/90/1031183690.db2.gz NYMUMDSROORKSG-JTQLQIEISA-N -1 0 329.331 3.656 20 0 EHADRM CC1(C)CN(C(=O)c2cccc(Br)c2[O-])[C@@H]2CCC[C@H]21 ZINC000583955147 1031223865 /nfs/dbraw/zinc/22/38/65/1031223865.db2.gz GVFKOIDZXBEYMV-DGCLKSJQSA-N -1 0 338.245 3.805 20 0 EHADRM C[C@@H](NC(=O)N([C@H](C)C(=O)[O-])C1CCC1)c1c(F)cccc1Cl ZINC000583972651 1031279603 /nfs/dbraw/zinc/27/96/03/1031279603.db2.gz SOAJYGCORHSOHV-NXEZZACHSA-N -1 0 342.798 3.577 20 0 EHADRM COc1ccccc1CCC(=O)Nc1cc(C)c(C)c(C(=O)[O-])c1 ZINC000392156317 1031288077 /nfs/dbraw/zinc/28/80/77/1031288077.db2.gz AUCVZEFTDUEJFV-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM COc1ccc(C(=O)[O-])cc1NCc1ccc(OCC2CC2)cc1 ZINC000551420809 1031315609 /nfs/dbraw/zinc/31/56/09/1031315609.db2.gz LLHHKBWEPMWFNQ-UHFFFAOYSA-N -1 0 327.380 3.794 20 0 EHADRM CCCOc1cccc(NC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000583987959 1031323339 /nfs/dbraw/zinc/32/33/39/1031323339.db2.gz VWBIIAIEPNVOMN-KRWDZBQOSA-N -1 0 342.395 3.765 20 0 EHADRM CC(C)(C)[C@H]1CCCN1C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000668263675 1031348785 /nfs/dbraw/zinc/34/87/85/1031348785.db2.gz AFXCYIQBZPQTRP-OAHLLOKOSA-N -1 0 349.381 3.507 20 0 EHADRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(O)c2)c1 ZINC000551470787 1031361391 /nfs/dbraw/zinc/36/13/91/1031361391.db2.gz HELLWVRJQHISBF-UHFFFAOYSA-N -1 0 325.817 3.799 20 0 EHADRM CCOc1cc(Nc2ccc(C)c(C(=O)[O-])c2)cc(C(=O)OC)c1 ZINC001211606003 1031364488 /nfs/dbraw/zinc/36/44/88/1031364488.db2.gz FVSLMUVMFZXKDV-UHFFFAOYSA-N -1 0 329.352 3.622 20 0 EHADRM CCCCOc1ccc(CN=c2[n-]nc(-c3ccccn3)s2)cc1 ZINC000483836398 1031368842 /nfs/dbraw/zinc/36/88/42/1031368842.db2.gz OGOYHZKDMDSLDB-UHFFFAOYSA-N -1 0 340.452 3.813 20 0 EHADRM Cc1oc([C@@H](C)N2CCO[C@@H](c3cccc(F)c3)C2)cc1C(=O)[O-] ZINC000565721488 1031374008 /nfs/dbraw/zinc/37/40/08/1031374008.db2.gz NCWCFIDQOZHSAR-PIGZYNQJSA-N -1 0 333.359 3.560 20 0 EHADRM COCc1cc(NC(=O)C(C2CCC2)C2CCC2)cc(C(=O)[O-])c1 ZINC000668285919 1031396585 /nfs/dbraw/zinc/39/65/85/1031396585.db2.gz VAJNRABMUGDCOW-UHFFFAOYSA-N -1 0 331.412 3.686 20 0 EHADRM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1ccc(C2CCCC2)cc1 ZINC000565805363 1031429500 /nfs/dbraw/zinc/42/95/00/1031429500.db2.gz MELFQTLAQVPDMF-UHFFFAOYSA-N -1 0 349.390 3.940 20 0 EHADRM CCc1cc([N-]S(=O)(=O)c2ccccc2OC(F)F)ccc1C ZINC000477300027 1031432131 /nfs/dbraw/zinc/43/21/31/1031432131.db2.gz NDBFEDDFHRIRFD-UHFFFAOYSA-N -1 0 341.379 3.960 20 0 EHADRM CN(C(=O)N=c1[n-]nc(/C=C/c2ccco2)s1)C1CCCCCC1 ZINC000484159831 1031480087 /nfs/dbraw/zinc/48/00/87/1031480087.db2.gz NRNLFSXSGHFRTE-ZHACJKMWSA-N -1 0 346.456 3.910 20 0 EHADRM Cc1ccc(Nc2ccccc2OC2CCOCC2)cc1C(=O)[O-] ZINC001211607869 1031517004 /nfs/dbraw/zinc/51/70/04/1031517004.db2.gz AGXFSTWVYUXFAR-UHFFFAOYSA-N -1 0 327.380 3.995 20 0 EHADRM Cc1cnc(CN[C@H](CCC(=O)[O-])c2ccc(Cl)c(Cl)c2)o1 ZINC000904000187 1031585020 /nfs/dbraw/zinc/58/50/20/1031585020.db2.gz PJJUJRKFLYNXPE-CYBMUJFWSA-N -1 0 343.210 3.986 20 0 EHADRM C[C@@H](NC(=O)N1CC[C@@H](C)C[C@H]1C(=O)[O-])c1cccc2ccccc21 ZINC000562396641 1031621368 /nfs/dbraw/zinc/62/13/68/1031621368.db2.gz UZMGWCGMSQFCGT-LBTNJELSSA-N -1 0 340.423 3.796 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1Cl ZINC000060436741 1031634422 /nfs/dbraw/zinc/63/44/22/1031634422.db2.gz VHXFFVGKGITNGP-UHFFFAOYSA-N -1 0 335.734 3.867 20 0 EHADRM Cc1ncc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c(C2CC2)n1 ZINC000343617716 1031651873 /nfs/dbraw/zinc/65/18/73/1031651873.db2.gz RCCNMQZWZLPRNB-UHFFFAOYSA-N -1 0 338.194 3.927 20 0 EHADRM CCc1cccc2cc(CN[C@@H](CC)c3nc(C(=O)[O-])c[nH]3)oc21 ZINC000904066143 1031692617 /nfs/dbraw/zinc/69/26/17/1031692617.db2.gz YUHHGKUDCKXHPZ-AWEZNQCLSA-N -1 0 327.384 3.657 20 0 EHADRM CCc1ccc(CN[C@H](C(=O)[O-])c2csc(Br)c2)o1 ZINC000904071334 1031698032 /nfs/dbraw/zinc/69/80/32/1031698032.db2.gz ANGFINAOZYPJHE-LBPRGKRZSA-N -1 0 344.230 3.582 20 0 EHADRM COc1c(C)ccc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)c1C ZINC000475733304 1031703359 /nfs/dbraw/zinc/70/33/59/1031703359.db2.gz KCZPTAVLAVEJNJ-UHFFFAOYSA-N -1 0 341.379 3.699 20 0 EHADRM CC1(C)CCC(CC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)CC1 ZINC000262930481 1031730660 /nfs/dbraw/zinc/73/06/60/1031730660.db2.gz JXGPJOQIIFORPC-KRWDZBQOSA-N -1 0 329.440 3.804 20 0 EHADRM O=C(NCC1(Cc2ccccc2)CC1)c1cc(F)c([O-])c(Cl)c1 ZINC000194930236 1031735828 /nfs/dbraw/zinc/73/58/28/1031735828.db2.gz FTOXKSZJKJGXBX-UHFFFAOYSA-N -1 0 333.790 3.937 20 0 EHADRM O=S(=O)(CCc1cccc(Cl)c1)[N-]c1scnc1C1CC1 ZINC000551946464 1031783642 /nfs/dbraw/zinc/78/36/42/1031783642.db2.gz UZXVZGNFWLFPRF-UHFFFAOYSA-N -1 0 342.873 3.658 20 0 EHADRM CC(C)c1nc(/C=C/c2ccn(-c3ccccc3)n2)ncc1C(=O)[O-] ZINC000179612411 1031793818 /nfs/dbraw/zinc/79/38/18/1031793818.db2.gz LEFZLVITVZPKHH-CMDGGOBGSA-N -1 0 334.379 3.654 20 0 EHADRM O=C([O-])C1CCN(c2ccc(CNc3ccc(Cl)cc3)o2)CC1 ZINC000904199653 1031848865 /nfs/dbraw/zinc/84/88/65/1031848865.db2.gz QLDJRMWECMLGDQ-UHFFFAOYSA-N -1 0 334.803 3.846 20 0 EHADRM O=C([O-])N[C@@H]1C[C@H](Nc2ccc(-n3cccn3)c(Cl)c2)C12CCC2 ZINC000904200929 1031848886 /nfs/dbraw/zinc/84/88/86/1031848886.db2.gz VUGANBVTBKTCNS-LSDHHAIUSA-N -1 0 346.818 3.516 20 0 EHADRM O=C([O-])N[C@H]1C[C@H](Nc2ccc3nc(C4CC4)oc3c2)C12CCC2 ZINC000904224412 1031860364 /nfs/dbraw/zinc/86/03/64/1031860364.db2.gz VWMPQEQXPVAHRS-GJZGRUSLSA-N -1 0 327.384 3.696 20 0 EHADRM Cc1c(Cl)cncc1NCc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904244450 1031874599 /nfs/dbraw/zinc/87/45/99/1031874599.db2.gz OTMIRTMBBTZHCG-UHFFFAOYSA-N -1 0 349.818 3.550 20 0 EHADRM O=C(N=c1nc(-c2ccccc2)[n-]s1)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000537735533 1031877709 /nfs/dbraw/zinc/87/77/09/1031877709.db2.gz GLCZBOGAANCWRW-GJZGRUSLSA-N -1 0 339.395 3.508 20 0 EHADRM CCCc1nc(C)c(C[N@H+](CCCC(=O)[O-])Cc2ccccc2)o1 ZINC000584178112 1031879442 /nfs/dbraw/zinc/87/94/42/1031879442.db2.gz BCEBVZQDZAFBJG-UHFFFAOYSA-N -1 0 330.428 3.803 20 0 EHADRM CSc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000181200731 1031954728 /nfs/dbraw/zinc/95/47/28/1031954728.db2.gz DKIYEYSPTIXQGC-UHFFFAOYSA-N -1 0 348.371 3.623 20 0 EHADRM CC(C)=CCNC(=O)N=c1[n-]nc(-c2c(F)cccc2Cl)s1 ZINC000484798344 1031969391 /nfs/dbraw/zinc/96/93/91/1031969391.db2.gz RAQFBDYNZUTJLG-UHFFFAOYSA-N -1 0 340.811 3.507 20 0 EHADRM CCc1cc(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)sc1C ZINC000448998736 1032008278 /nfs/dbraw/zinc/00/82/78/1032008278.db2.gz XNZAGJWCSZDTRL-HZPDHXFCSA-N -1 0 343.448 3.559 20 0 EHADRM Cc1ccc(N=c2[n-]nc(SCC3(C)COC3)s2)cc1Cl ZINC000607759405 1033304567 /nfs/dbraw/zinc/30/45/67/1033304567.db2.gz VAEPCGZMOXEWNO-UHFFFAOYSA-N -1 0 341.889 3.794 20 0 EHADRM C[C@@H](C(=O)N=c1ccc(C2CC2)n[n-]1)c1ccccc1C(F)(F)F ZINC000607833201 1033324877 /nfs/dbraw/zinc/32/48/77/1033324877.db2.gz WKKVUNUQPBODCR-SNVBAGLBSA-N -1 0 335.329 3.537 20 0 EHADRM CCc1ccc(CN=c2[n-]nc(Cc3ccc(Cl)cc3)o2)s1 ZINC000537490536 1033377985 /nfs/dbraw/zinc/37/79/85/1033377985.db2.gz NLMWXYSHMDVZEV-UHFFFAOYSA-N -1 0 333.844 3.972 20 0 EHADRM Cc1cc(=O)[nH]c(CNC(=O)C2(C3CCCCC3)CCCCC2)n1 ZINC000898262433 1033417158 /nfs/dbraw/zinc/41/71/58/1033417158.db2.gz WQTLZBSOUXZQDK-UHFFFAOYSA-N -1 0 331.460 3.638 20 0 EHADRM COc1ccccc1[C@@H](C)NC(=O)c1c(C)ccc(C)c1C(=O)[O-] ZINC000326645080 1033492301 /nfs/dbraw/zinc/49/23/01/1033492301.db2.gz WGYQONMOBKQKLM-CYBMUJFWSA-N -1 0 327.380 3.501 20 0 EHADRM CSCC1(CCNC(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)CC1 ZINC000594660452 1033494389 /nfs/dbraw/zinc/49/43/89/1033494389.db2.gz FUTNCGGLPNVIMW-KRWDZBQOSA-N -1 0 341.517 3.697 20 0 EHADRM Cc1nc(=NC(=O)c2sc3cc(F)ccc3c2Cl)s[n-]1 ZINC000608192522 1033529602 /nfs/dbraw/zinc/52/96/02/1033529602.db2.gz UQMWINMLXGDTQB-UHFFFAOYSA-N -1 0 327.793 3.528 20 0 EHADRM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2ncc(C(C)C)s2)c1 ZINC000608258347 1033554382 /nfs/dbraw/zinc/55/43/82/1033554382.db2.gz GAFRUKPWIOIPNZ-UHFFFAOYSA-N -1 0 347.465 3.924 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N[C@@H]2C[C@]2(C)c2ccccc2)s1 ZINC000608269451 1033562904 /nfs/dbraw/zinc/56/29/04/1033562904.db2.gz PESDNXPQMUXFIX-RDTXWAMCSA-N -1 0 344.484 3.715 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000608340525 1033645493 /nfs/dbraw/zinc/64/54/93/1033645493.db2.gz NDEMEYZHKQQRQO-CABCVRRESA-N -1 0 347.386 3.753 20 0 EHADRM C[C@@H]1C[C@@H]1[C@H](NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000608340531 1033645640 /nfs/dbraw/zinc/64/56/40/1033645640.db2.gz NLABMLSVZZJCLP-OFGYBXGMSA-N -1 0 347.842 3.820 20 0 EHADRM COc1ccc(CN=c2[n-]nc(S[C@@H]3C=CCCC3)s2)cc1 ZINC000595153633 1033704218 /nfs/dbraw/zinc/70/42/18/1033704218.db2.gz RJHBVXXPJAFBTR-CQSZACIVSA-N -1 0 333.482 3.782 20 0 EHADRM CCc1ccc(NS(=O)(=O)c2ccc3c(cnn3C(C)C)c2)cc1 ZINC000476481178 1033919197 /nfs/dbraw/zinc/91/91/97/1033919197.db2.gz KUIBQBDMMKFCJR-UHFFFAOYSA-N -1 0 343.452 3.980 20 0 EHADRM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccccn2)c2ccccc12 ZINC000599448394 1033933080 /nfs/dbraw/zinc/93/30/80/1033933080.db2.gz WNUIJUKDQSWURU-UHFFFAOYSA-N -1 0 342.420 3.823 20 0 EHADRM CCOc1c(OC)cc(C(=O)[O-])cc1-c1cccc(CCOC)c1 ZINC000516785641 1033948317 /nfs/dbraw/zinc/94/83/17/1033948317.db2.gz QRKWPIPTBLGJLL-UHFFFAOYSA-N -1 0 330.380 3.648 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC[C@@H]1Cc1ccccc1 ZINC000174502741 1033971820 /nfs/dbraw/zinc/97/18/20/1033971820.db2.gz SJLUJHYMKPCENS-OAHLLOKOSA-N -1 0 338.432 3.964 20 0 EHADRM COc1cc(CN=c2[n-]nc(C(C)C)o2)ccc1OC1CCCC1 ZINC000450255597 1033973167 /nfs/dbraw/zinc/97/31/67/1033973167.db2.gz MWWKYQWMYQDZBW-UHFFFAOYSA-N -1 0 331.416 3.557 20 0 EHADRM Cc1ccc(-c2ncc(C(=O)[N-]NC(=O)OC(C)(C)C)s2)c(C)c1 ZINC000061341900 1034033431 /nfs/dbraw/zinc/03/34/31/1034033431.db2.gz BVCLAFBLEMNIBP-UHFFFAOYSA-N -1 0 347.440 3.596 20 0 EHADRM CN(Cc1ccccc1Br)C(=O)c1c([O-])cccc1F ZINC000118982400 1034047851 /nfs/dbraw/zinc/04/78/51/1034047851.db2.gz AFOPVPFQQDWQTI-UHFFFAOYSA-N -1 0 338.176 3.566 20 0 EHADRM CCC[C@H](OC)C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000450295557 1034070638 /nfs/dbraw/zinc/07/06/38/1034070638.db2.gz ZBFKNGXUXYUAGG-JTQLQIEISA-N -1 0 336.613 3.562 20 0 EHADRM CCOC(=O)c1csc(=N[C@@H](C)c2nc(C(C)(C)C)cs2)[n-]1 ZINC000450318969 1034127587 /nfs/dbraw/zinc/12/75/87/1034127587.db2.gz OWOQRBARVKGSNM-VIFPVBQESA-N -1 0 339.486 3.669 20 0 EHADRM CCOC(=O)c1csc(=N[C@H](CC)c2ccc(F)cc2F)[n-]1 ZINC000450343676 1034151148 /nfs/dbraw/zinc/15/11/48/1034151148.db2.gz FINUMFPQHPZWFL-GFCCVEGCSA-N -1 0 326.368 3.583 20 0 EHADRM CCOC(=O)c1csc(=N[C@H](CC)c2cc(F)ccc2F)[n-]1 ZINC000450348777 1034159128 /nfs/dbraw/zinc/15/91/28/1034159128.db2.gz NAGAAUOBXOUNJK-GFCCVEGCSA-N -1 0 326.368 3.583 20 0 EHADRM Cc1cc(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)cnc1F ZINC001212188697 1034214737 /nfs/dbraw/zinc/21/47/37/1034214737.db2.gz YNUHWZOBIZSOJP-UHFFFAOYSA-N -1 0 332.356 3.673 20 0 EHADRM CCOc1cc2c(cc1NC(=O)c1c([O-])cccc1F)O[C@H](C)C2 ZINC000119908098 1034271116 /nfs/dbraw/zinc/27/11/16/1034271116.db2.gz HQZWSNMOEXUEEI-SNVBAGLBSA-N -1 0 331.343 3.506 20 0 EHADRM O=C(C[C@H]1CCc2ccccc21)N=c1nc(-c2ccsc2)[n-]s1 ZINC000604284383 1034301739 /nfs/dbraw/zinc/30/17/39/1034301739.db2.gz SBBDYBXAAJYSOJ-GFCCVEGCSA-N -1 0 341.461 3.747 20 0 EHADRM COc1ccc(C(=O)N=c2[n-]nc(-c3cc(C)cc(C)c3)s2)cc1 ZINC000604264748 1034309883 /nfs/dbraw/zinc/30/98/83/1034309883.db2.gz ZFFKKKRHIJQIRS-UHFFFAOYSA-N -1 0 339.420 3.505 20 0 EHADRM Cc1ccc(-c2csc3ncnc(Sc4n[nH]c(=O)[n-]4)c23)cc1 ZINC000548873244 1034310523 /nfs/dbraw/zinc/31/05/23/1034310523.db2.gz QAORMAMJBMMHOT-UHFFFAOYSA-N -1 0 341.421 3.642 20 0 EHADRM CC(C)(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000604305963 1034320182 /nfs/dbraw/zinc/32/01/82/1034320182.db2.gz VPAPPPIYEAIKBY-UHFFFAOYSA-N -1 0 341.379 3.943 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000604707845 1034462967 /nfs/dbraw/zinc/46/29/67/1034462967.db2.gz LMDKOEMLICCNDH-CHWSQXEVSA-N -1 0 347.340 3.537 20 0 EHADRM CCOC(=O)c1csc(=N[C@@H]2CCc3sc(Cl)cc32)[n-]1 ZINC000450531139 1034490889 /nfs/dbraw/zinc/49/08/89/1034490889.db2.gz HABSJQPCUMVLDC-MRVPVSSYSA-N -1 0 328.846 3.556 20 0 EHADRM CCOC(=O)c1csc(=N[C@H]2CCCc3c(F)cc(F)cc32)[n-]1 ZINC000450548791 1034504879 /nfs/dbraw/zinc/50/48/79/1034504879.db2.gz AAFMFLZEGWLQES-ZDUSSCGKSA-N -1 0 338.379 3.509 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)N(Cc2ccc(F)cc2)C2CC2)s[n-]1 ZINC000604801432 1034509052 /nfs/dbraw/zinc/50/90/52/1034509052.db2.gz IUZSHSQFEKKVFA-UHFFFAOYSA-N -1 0 348.447 3.593 20 0 EHADRM CC(C)(C)[C@H]1CCCN(C(=O)N=c2[n-]nc(-c3ccco3)s2)CC1 ZINC000604798194 1034509471 /nfs/dbraw/zinc/50/94/71/1034509471.db2.gz UKCGGHOHCYGYOI-LBPRGKRZSA-N -1 0 348.472 3.900 20 0 EHADRM Cn1c2ccccc2c2cc(S(=O)(=O)[N-]c3ccccn3)ccc21 ZINC000604839130 1034521766 /nfs/dbraw/zinc/52/17/66/1034521766.db2.gz VOCNIQQFIIDVPB-UHFFFAOYSA-N -1 0 337.404 3.527 20 0 EHADRM C[C@H](C1CCC1)N(C)C(=O)c1cc(Br)c(F)cc1[O-] ZINC000450559363 1034521655 /nfs/dbraw/zinc/52/16/55/1034521655.db2.gz FISBXLWZJCFFES-MRVPVSSYSA-N -1 0 330.197 3.554 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000456557619 1034537113 /nfs/dbraw/zinc/53/71/13/1034537113.db2.gz FSUQKLAWXCYRKD-OAHLLOKOSA-N -1 0 337.297 3.770 20 0 EHADRM C[C@H](Cc1cn(C)c2ccc(F)cc12)N=c1[n-]nc(C(F)F)s1 ZINC000413616574 1034619819 /nfs/dbraw/zinc/61/98/19/1034619819.db2.gz YUNAFGRPEPNLJK-MRVPVSSYSA-N -1 0 340.374 3.572 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)c2ccc3ccccc3c2)c1 ZINC000060497435 1034626856 /nfs/dbraw/zinc/62/68/56/1034626856.db2.gz GURHTDXYISMYLT-UHFFFAOYSA-N -1 0 339.416 3.575 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc3ccccc3o2)cc1C ZINC000060498245 1034627755 /nfs/dbraw/zinc/62/77/55/1034627755.db2.gz DAYMIBWNWQDGMV-UHFFFAOYSA-N -1 0 329.377 3.743 20 0 EHADRM Cc1cccc(-c2ccc(CNC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])cc2)c1 ZINC000605165077 1034642421 /nfs/dbraw/zinc/64/24/21/1034642421.db2.gz HDJMZOLXIZUMBI-PMACEKPBSA-N -1 0 349.430 3.945 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)C(C)(C)C(C)(F)F)s[n-]1 ZINC000450703089 1034714485 /nfs/dbraw/zinc/71/44/85/1034714485.db2.gz SDJWQPUQGMUPGQ-UHFFFAOYSA-N -1 0 331.413 3.617 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCC[C@]2(CCc3ccccc3O2)C1 ZINC000529907430 1034740408 /nfs/dbraw/zinc/74/04/08/1034740408.db2.gz YAXXSXLRKRFXPY-FQEVSTJZSA-N -1 0 341.382 3.531 20 0 EHADRM COc1cc(C(=O)NC(C)(C)c2cccc(Cl)c2)cc(OC)c1O ZINC000163537533 1034768725 /nfs/dbraw/zinc/76/87/25/1034768725.db2.gz UMWUPNCATREMLH-UHFFFAOYSA-N -1 0 349.814 3.728 20 0 EHADRM O=C([O-])C1CCC(CC(=O)NCCc2ccc3ccccc3c2)CC1 ZINC000584472234 1034770986 /nfs/dbraw/zinc/77/09/86/1034770986.db2.gz HCXYNCZOQKLVHQ-UHFFFAOYSA-N -1 0 339.435 3.780 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000034254408 1034802308 /nfs/dbraw/zinc/80/23/08/1034802308.db2.gz ULANAMQGAZUHMT-UHFFFAOYSA-N -1 0 348.255 3.815 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)NC(C)(C)c1ccc2ccccc2c1)C(=O)[O-] ZINC000602008357 1034857604 /nfs/dbraw/zinc/85/76/04/1034857604.db2.gz KOUHKXRDSZSFHZ-STQMWFEESA-N -1 0 345.464 3.786 20 0 EHADRM CCCC[C@H](NC(=O)c1oc2ccccc2c1CSC)C(=O)[O-] ZINC000612429595 1034915105 /nfs/dbraw/zinc/91/51/05/1034915105.db2.gz RVVMDDGMQKPNFJ-ZDUSSCGKSA-N -1 0 335.425 3.669 20 0 EHADRM O=C([O-])Cc1ccc(-c2cc(F)ccc2OC[C@H]2CCOC2)s1 ZINC000584480536 1034932465 /nfs/dbraw/zinc/93/24/65/1034932465.db2.gz FPARQPXAJWTDKD-NSHDSACASA-N -1 0 336.384 3.597 20 0 EHADRM CN(C(=O)Nc1cccc(Br)c1C(=O)[O-])C1CCCC1 ZINC000530143323 1035002757 /nfs/dbraw/zinc/00/27/57/1035002757.db2.gz KWPVKQIAUJTJAO-UHFFFAOYSA-N -1 0 341.205 3.554 20 0 EHADRM C[C@H](c1ncc(C(C)(C)C)o1)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000530168563 1035018625 /nfs/dbraw/zinc/01/86/25/1035018625.db2.gz KGEGQKATKAURIN-LLVKDONJSA-N -1 0 346.402 3.929 20 0 EHADRM CCCOc1cncc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c1 ZINC000530157985 1035025064 /nfs/dbraw/zinc/02/50/64/1035025064.db2.gz ZGEGRJYHHJHPAZ-UHFFFAOYSA-N -1 0 342.367 3.609 20 0 EHADRM CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3sccc3F)cc2O1 ZINC000451040516 1035040430 /nfs/dbraw/zinc/04/04/30/1035040430.db2.gz KQVHXYUNKNFJKG-CQSZACIVSA-N -1 0 343.401 3.585 20 0 EHADRM C[C@H]1CC(F)(F)CCN1Cc1ccc(C(=O)[O-])cc1Br ZINC000530172307 1035044042 /nfs/dbraw/zinc/04/40/42/1035044042.db2.gz GKHYOSKBTWOFKA-VIFPVBQESA-N -1 0 348.187 3.767 20 0 EHADRM Cc1cscc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000161593803 1035269191 /nfs/dbraw/zinc/26/91/91/1035269191.db2.gz NVKKSUYKVSWWRJ-UHFFFAOYSA-N -1 0 337.344 3.756 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1onc2c1CCCC2 ZINC000613182344 1035440447 /nfs/dbraw/zinc/44/04/47/1035440447.db2.gz IZIHHTUEIMSYAV-UHFFFAOYSA-N -1 0 327.167 3.818 20 0 EHADRM C[C@@]1(CNC(=O)CC2(CC(=O)[O-])CCCC2)C[C@H]1c1ccccc1 ZINC000414072613 1035443816 /nfs/dbraw/zinc/44/38/16/1035443816.db2.gz FAWYMXZFOOKFRB-LPHOPBHVSA-N -1 0 329.440 3.722 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)ccc1F ZINC000414088207 1035474050 /nfs/dbraw/zinc/47/40/50/1035474050.db2.gz JDNALFHOMLEAQF-JLTOFOAXSA-N -1 0 343.398 3.744 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000431793451 1035529878 /nfs/dbraw/zinc/52/98/78/1035529878.db2.gz YYDQYWCSCHFKTL-OAHLLOKOSA-N -1 0 349.430 3.975 20 0 EHADRM CCc1oc2ccccc2c1CN=c1[n-]nc(C(F)(F)F)s1 ZINC000540703317 1035585151 /nfs/dbraw/zinc/58/51/51/1035585151.db2.gz YAAFZXXAFDOHCO-UHFFFAOYSA-N -1 0 327.331 3.900 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)N[C@H](CC(=O)[O-])C1CCCCC1 ZINC000540706231 1035585974 /nfs/dbraw/zinc/58/59/74/1035585974.db2.gz JRRADELFIYWMHL-SUMWQHHRSA-N -1 0 335.419 3.544 20 0 EHADRM Cc1cc(C(=O)[N-]c2nnc(-c3c(F)cccc3Cl)s2)on1 ZINC000186135223 1035589278 /nfs/dbraw/zinc/58/92/78/1035589278.db2.gz XYGURNIFZCRAOO-UHFFFAOYSA-N -1 0 338.751 3.546 20 0 EHADRM Cc1ccccc1CNC(=O)C[C@@](C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000414129486 1035662369 /nfs/dbraw/zinc/66/23/69/1035662369.db2.gz UXKCJYPDWUPPIR-LJQANCHMSA-N -1 0 345.826 3.697 20 0 EHADRM CC(C)N(C(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C1CC(C)(C)C1 ZINC000457070296 1035680066 /nfs/dbraw/zinc/68/00/66/1035680066.db2.gz IJRNDQLZDVSQSL-UHFFFAOYSA-N -1 0 345.418 3.756 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccccc2)s1)c1ccc(C(F)F)cc1 ZINC000588019137 1035686426 /nfs/dbraw/zinc/68/64/26/1035686426.db2.gz OMXNUTIWTQSGKV-UHFFFAOYSA-N -1 0 331.347 3.817 20 0 EHADRM c1ccc(CCCOc2cccc(CN=c3[n-]nc(C4CC4)o3)c2)cc1 ZINC000540808053 1035699651 /nfs/dbraw/zinc/69/96/51/1035699651.db2.gz PSYSPLVXAGCBIA-UHFFFAOYSA-N -1 0 349.434 3.993 20 0 EHADRM CCCCCc1n[n-]c(=NCc2cn(C)nc2-c2cccs2)s1 ZINC000540807055 1035700546 /nfs/dbraw/zinc/70/05/46/1035700546.db2.gz MDEJQWGTDVPOLQ-UHFFFAOYSA-N -1 0 347.513 3.767 20 0 EHADRM Fc1ccc2c(c1)[C@H](N=c1[n-]c(-c3ccccc3)no1)CCCO2 ZINC000588161856 1035733368 /nfs/dbraw/zinc/73/33/68/1035733368.db2.gz CFUYSBPITHGABQ-OAHLLOKOSA-N -1 0 325.343 3.623 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)/C=C\SCc1ccco1)C1CCCCC1 ZINC000492389126 1035737199 /nfs/dbraw/zinc/73/71/99/1035737199.db2.gz XIAGPQFMNMWZPW-WKTRQSJXSA-N -1 0 337.441 3.566 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)CCCc2csc3ccccc23)C1 ZINC000263098813 1035761475 /nfs/dbraw/zinc/76/14/75/1035761475.db2.gz WEOKALPSXRHKOB-LJQANCHMSA-N -1 0 345.464 3.937 20 0 EHADRM Cc1c(F)cccc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000174057653 1035773004 /nfs/dbraw/zinc/77/30/04/1035773004.db2.gz IQWRACTTXVAXBX-UHFFFAOYSA-N -1 0 333.306 3.954 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)/C=C\c2ccc(OC(F)F)cc2)cc1 ZINC000492423960 1035776373 /nfs/dbraw/zinc/77/63/73/1035776373.db2.gz DSEHTSXJVFNNMG-YHYXMXQVSA-N -1 0 347.317 3.567 20 0 EHADRM CCN(CC(C)(C)C)C(=O)N=c1[n-]nc(Cc2ccc(C)cc2)s1 ZINC000463744888 1035799670 /nfs/dbraw/zinc/79/96/70/1035799670.db2.gz JVVVSIHWSQFBAD-UHFFFAOYSA-N -1 0 346.500 3.759 20 0 EHADRM CCC[C@@H]1C[C@@H](C(=O)Nc2ccc(Br)cc2O)CCO1 ZINC000540944986 1035831170 /nfs/dbraw/zinc/83/11/70/1035831170.db2.gz XJDXGUSHOFEXAW-CMPLNLGQSA-N -1 0 342.233 3.689 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CC[C@H](C4CC4)C3)n2)c1 ZINC000535019659 1035907037 /nfs/dbraw/zinc/90/70/37/1035907037.db2.gz VYQLYHNUEVXBOP-INIZCTEOSA-N -1 0 339.439 3.573 20 0 EHADRM O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ccc(F)c(F)c1[O-] ZINC000457286293 1035918115 /nfs/dbraw/zinc/91/81/15/1035918115.db2.gz DVIALSYDIICLQO-UHFFFAOYSA-N -1 0 345.345 3.761 20 0 EHADRM Cc1ccccc1C1(C(=O)Nc2ccc(F)c(F)c2[O-])CCOCC1 ZINC000457297409 1035954667 /nfs/dbraw/zinc/95/46/67/1035954667.db2.gz QSKXOVLYDCHZER-UHFFFAOYSA-N -1 0 347.361 3.666 20 0 EHADRM CC[C@H](C)n1ncc(C(=O)Nc2ccc(F)c(F)c2[O-])c1C1CC1 ZINC000457304107 1035960438 /nfs/dbraw/zinc/96/04/38/1035960438.db2.gz YEPQFUFMUAKHTE-VIFPVBQESA-N -1 0 335.354 3.968 20 0 EHADRM CC(C)(COCc1ccccc1)C(=O)Nc1ccc(F)c(F)c1[O-] ZINC000457308726 1035966352 /nfs/dbraw/zinc/96/63/52/1035966352.db2.gz HSGJDXLOPHEWOZ-UHFFFAOYSA-N -1 0 335.350 3.852 20 0 EHADRM C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)C(=O)[O-] ZINC000164859611 1035977466 /nfs/dbraw/zinc/97/74/66/1035977466.db2.gz XUIBECOXWZXNSY-STQMWFEESA-N -1 0 339.391 3.634 20 0 EHADRM O=C(c1nn(-c2ccccc2F)cc1[O-])N1CCC2(C1)CCCCC2 ZINC000174239212 1036033676 /nfs/dbraw/zinc/03/36/76/1036033676.db2.gz VAERYGSTAGXKPS-UHFFFAOYSA-N -1 0 343.402 3.513 20 0 EHADRM Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)C(C)(C)C(=O)[O-] ZINC000572290361 1036056644 /nfs/dbraw/zinc/05/66/44/1036056644.db2.gz OZVUEKMQDHTOFF-GFCCVEGCSA-N -1 0 346.452 3.715 20 0 EHADRM CC(C)(C)CCCS(=O)(=O)c1nnc(-c2ccc(Cl)cc2)[n-]1 ZINC000541224265 1036102170 /nfs/dbraw/zinc/10/21/70/1036102170.db2.gz UALDHBHYXBMUNW-UHFFFAOYSA-N -1 0 341.864 3.725 20 0 EHADRM Cc1noc2nc(C3CC3)cc(C(=O)Nc3cc(F)ccc3O)c12 ZINC000174870603 1036104787 /nfs/dbraw/zinc/10/47/87/1036104787.db2.gz CJZSSBAEHJRBEE-UHFFFAOYSA-N -1 0 327.315 3.506 20 0 EHADRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(-c2ccccc2)on1 ZINC000174971658 1036187864 /nfs/dbraw/zinc/18/78/64/1036187864.db2.gz HUYSYBVRODUOOR-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM CC(C)CCc1ccc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)cc1 ZINC000024425455 1036250312 /nfs/dbraw/zinc/25/03/12/1036250312.db2.gz XVMWTYSOJJMDOR-UHFFFAOYSA-N -1 0 343.452 3.952 20 0 EHADRM COc1nc(C(F)(F)F)ccc1-c1ccccc1OCCC(=O)[O-] ZINC000518218879 1036279564 /nfs/dbraw/zinc/27/95/64/1036279564.db2.gz SWTMQKDCPUNKHU-UHFFFAOYSA-N -1 0 341.285 3.630 20 0 EHADRM CCc1cnc(CN(C)C(=O)c2c([O-])cc(Cl)cc2Cl)s1 ZINC000175267740 1036294341 /nfs/dbraw/zinc/29/43/41/1036294341.db2.gz NMOFGIVNANDLTO-UHFFFAOYSA-N -1 0 345.251 3.990 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)CC2CCC(C(=O)[O-])CC2)c1 ZINC000572527180 1036401447 /nfs/dbraw/zinc/40/14/47/1036401447.db2.gz QXDDMRLQJXMQGP-HTWSVDAQSA-N -1 0 329.440 3.940 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nc(C3CC3)cs2)sc1Cl ZINC000191537941 1036412630 /nfs/dbraw/zinc/41/26/30/1036412630.db2.gz MLOHMGXVISLADI-UHFFFAOYSA-N -1 0 334.875 3.845 20 0 EHADRM CCOc1ccc(Oc2ccccc2NS(=O)(=O)C2CC2)cc1 ZINC000589428549 1036423176 /nfs/dbraw/zinc/42/31/76/1036423176.db2.gz ZOCDULLKZPNAEM-UHFFFAOYSA-N -1 0 333.409 3.782 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2cccnc2C(F)(F)F)c1C ZINC000572829154 1036509234 /nfs/dbraw/zinc/50/92/34/1036509234.db2.gz WSRYMCDADSQOEX-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM Cc1cc(CC(C)(C)C(=O)[O-])ccc1-c1cccc(C(N)=O)c1F ZINC000572901111 1036532058 /nfs/dbraw/zinc/53/20/58/1036532058.db2.gz YKWMUCRSFAYNRS-UHFFFAOYSA-N -1 0 329.371 3.553 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000653537979 1036576143 /nfs/dbraw/zinc/57/61/43/1036576143.db2.gz NNWIPDWDIPEBTQ-GVAFMPQTSA-N -1 0 348.443 3.651 20 0 EHADRM Cc1cc(=NC(=O)N2CCCC[C@H]2CCc2ccccc2)[n-]nc1C ZINC000541736611 1036603542 /nfs/dbraw/zinc/60/35/42/1036603542.db2.gz MBFZGKMKADAZOT-SFHVURJKSA-N -1 0 338.455 3.535 20 0 EHADRM CCCOc1cccc(CC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c1 ZINC000263188726 1036612372 /nfs/dbraw/zinc/61/23/72/1036612372.db2.gz IFRKPIRXZWZAKE-CQSZACIVSA-N -1 0 341.407 3.845 20 0 EHADRM CCC[C@H](CNC(=O)C[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000263190913 1036620687 /nfs/dbraw/zinc/62/06/87/1036620687.db2.gz MMLOAZGNRSQTHE-VXGBXAGGSA-N -1 0 345.361 3.816 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000249546498 1036623463 /nfs/dbraw/zinc/62/34/63/1036623463.db2.gz KFLONSUOSUHKDO-DXIQSLLYSA-N -1 0 349.430 3.531 20 0 EHADRM C[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1nc2c(s1)CCC2 ZINC000457910318 1036624115 /nfs/dbraw/zinc/62/41/15/1036624115.db2.gz FEGAVMPUSMEIRZ-ZETCQYMHSA-N -1 0 340.807 3.621 20 0 EHADRM CCC[C@@H](CNC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000263199395 1036624939 /nfs/dbraw/zinc/62/49/39/1036624939.db2.gz NLQXZYBDTJMOMC-ONGXEEELSA-N -1 0 332.227 3.714 20 0 EHADRM COc1ccc(CCC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cc1F ZINC000263210725 1036635821 /nfs/dbraw/zinc/63/58/21/1036635821.db2.gz LJKQSEFPIWPBAT-GFCCVEGCSA-N -1 0 345.370 3.594 20 0 EHADRM CCC[C@H](CNC(=O)[C@H]1C[C@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000263204054 1036635897 /nfs/dbraw/zinc/63/58/97/1036635897.db2.gz OBIIRXYWMJIMFQ-JLSDUUJJSA-N -1 0 325.408 3.560 20 0 EHADRM C[C@H]1CCc2sc(C(=O)N=c3nc(C(C)(C)C)[n-]s3)cc2C1 ZINC000589938271 1036666910 /nfs/dbraw/zinc/66/69/10/1036666910.db2.gz NEFSTRFLWYWFMR-VIFPVBQESA-N -1 0 335.498 3.696 20 0 EHADRM Cc1cc(CNC(=O)c2cc(F)c(F)c([O-])c2F)ccc1Cl ZINC000186308128 1036700536 /nfs/dbraw/zinc/70/05/36/1036700536.db2.gz GXSGIZLCIPMOSE-UHFFFAOYSA-N -1 0 329.705 3.701 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2CCC[C@@H]2/C=C/c2ccccc2)s1 ZINC000541879654 1036755658 /nfs/dbraw/zinc/75/56/58/1036755658.db2.gz XFMNAZYKCHBQQN-AYJWMTRPSA-N -1 0 342.468 3.622 20 0 EHADRM Cc1c(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)oc2c1C(=O)CCC2 ZINC000263353705 1036800997 /nfs/dbraw/zinc/80/09/97/1036800997.db2.gz WJBXHABXRIBVKZ-SNVBAGLBSA-N -1 0 341.363 3.547 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000263347923 1036809393 /nfs/dbraw/zinc/80/93/93/1036809393.db2.gz ZSLIXDHVHPVBMJ-UHFFFAOYSA-N -1 0 335.400 3.676 20 0 EHADRM CCCC[C@H](CCC)NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000177293560 1036811141 /nfs/dbraw/zinc/81/11/41/1036811141.db2.gz GOEUDYWUZGQXBS-HNNXBMFYSA-N -1 0 329.444 3.563 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(C)(C)CCCc2ccccc2)C1 ZINC000263374212 1036836567 /nfs/dbraw/zinc/83/65/67/1036836567.db2.gz WHMZHOUCMKFWPZ-WBVHZDCISA-N -1 0 331.456 3.605 20 0 EHADRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cccc3cccnc32)n[nH]1 ZINC000177773196 1036930461 /nfs/dbraw/zinc/93/04/61/1036930461.db2.gz MRIHVEPQXBJXCM-GFCCVEGCSA-N -1 0 344.440 3.662 20 0 EHADRM Cc1ccc(F)cc1C(=O)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000541993098 1036955759 /nfs/dbraw/zinc/95/57/59/1036955759.db2.gz XOSVGQHGIFYPDH-UHFFFAOYSA-N -1 0 342.153 3.968 20 0 EHADRM CC(C)(CC(=O)N[C@H](CC(=O)[O-])C1CCCCC1)c1ccccc1 ZINC000539603770 1036966830 /nfs/dbraw/zinc/96/68/30/1036966830.db2.gz WOCRODVSUFLQCJ-QGZVFWFLSA-N -1 0 331.456 3.894 20 0 EHADRM CC(C)(C)[C@@H]1CN(C(=O)NC2CCC(C(=O)[O-])CC2)c2ccccc21 ZINC000263491989 1036981572 /nfs/dbraw/zinc/98/15/72/1036981572.db2.gz RLIHDVFKUCFRSF-ZBCRRDGASA-N -1 0 344.455 3.989 20 0 EHADRM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(F)c(C)c1 ZINC000590696271 1037013289 /nfs/dbraw/zinc/01/32/89/1037013289.db2.gz IZQOIWGOZWLZMA-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CCOc1c(Cl)cc(-c2nc(=O)c3sccc3[n-]2)cc1OC ZINC000053847916 1037040860 /nfs/dbraw/zinc/04/08/60/1037040860.db2.gz ZUCXFBLABOWEAA-UHFFFAOYSA-N -1 0 336.800 3.712 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc2c(cccc2F)s1 ZINC000324003753 1037177221 /nfs/dbraw/zinc/17/72/21/1037177221.db2.gz GUIFLEGVUHLASL-SWHYSGLUSA-N -1 0 347.411 3.898 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2)nn1[C@H](C)C1CC1 ZINC000542235915 1037186806 /nfs/dbraw/zinc/18/68/06/1037186806.db2.gz VDAHMWWWFZJUNW-LLVKDONJSA-N -1 0 339.848 3.617 20 0 EHADRM C[C@H](CN(C)C(=O)/C=C\c1ccc(Cl)c(C(F)(F)F)c1)C(=O)[O-] ZINC000493247033 1037195208 /nfs/dbraw/zinc/19/52/08/1037195208.db2.gz CEDUREUTIUMZJH-XTULLQBASA-N -1 0 349.736 3.551 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cnoc1C1CC1 ZINC000414384983 1037196094 /nfs/dbraw/zinc/19/60/94/1037196094.db2.gz DIUYWFQVNWHNEW-UHFFFAOYSA-N -1 0 346.330 3.680 20 0 EHADRM O=C([O-])c1occc1CNC(=O)C1(Sc2ccccc2)CCCC1 ZINC000659200551 1037210904 /nfs/dbraw/zinc/21/09/04/1037210904.db2.gz IVSMGULWUQDQEL-UHFFFAOYSA-N -1 0 345.420 3.699 20 0 EHADRM CCCCC1CCC(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)CC1 ZINC000591187906 1037266974 /nfs/dbraw/zinc/26/69/74/1037266974.db2.gz GLYHKYSBUDTPEA-UHFFFAOYSA-N -1 0 343.427 3.965 20 0 EHADRM Cc1ccccc1C1CCN(C(=O)CC2CCC(C(=O)[O-])CC2)CC1 ZINC000573123290 1037293770 /nfs/dbraw/zinc/29/37/70/1037293770.db2.gz DOQYZDZSQZVOEO-UHFFFAOYSA-N -1 0 343.467 3.982 20 0 EHADRM C[C@@H]1CCCN(C(=O)c2cc(Cl)cc(Br)c2[O-])C1 ZINC000176947481 1037294841 /nfs/dbraw/zinc/29/48/41/1037294841.db2.gz TUHLBORNBGHTOQ-MRVPVSSYSA-N -1 0 332.625 3.680 20 0 EHADRM CN(Cc1ccc(Br)s1)C(=O)c1cc(F)ccc1O ZINC000176966448 1037304994 /nfs/dbraw/zinc/30/49/94/1037304994.db2.gz JVOPPNRJEXXNPQ-UHFFFAOYSA-N -1 0 344.205 3.628 20 0 EHADRM CSc1cc([N-]S(=O)(=O)c2cn(C(C)C)cn2)ccc1Cl ZINC000414396298 1037323221 /nfs/dbraw/zinc/32/32/21/1037323221.db2.gz MBLPZRGSTRTUSC-UHFFFAOYSA-N -1 0 345.877 3.640 20 0 EHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)C2CC3(CC3)C2)cc1 ZINC000659128993 1037323942 /nfs/dbraw/zinc/32/39/42/1037323942.db2.gz YVXZJSFXHYWYLP-MRXNPFEDSA-N -1 0 329.440 3.806 20 0 EHADRM CCC[C@H](C(=O)N1CCC(C)(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000659141473 1037360248 /nfs/dbraw/zinc/36/02/48/1037360248.db2.gz BPIKRMNPVRWMFU-HNNXBMFYSA-N -1 0 337.847 3.937 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)C2CCC(C3CC3)CC2)sc1C(=O)[O-] ZINC000659143354 1037365909 /nfs/dbraw/zinc/36/59/09/1037365909.db2.gz OHTWJRAELQSWFU-QFWMXSHPSA-N -1 0 336.457 3.543 20 0 EHADRM CC(C)c1cccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1 ZINC000659150183 1037375907 /nfs/dbraw/zinc/37/59/07/1037375907.db2.gz WIFGLMJGWBVKKQ-RBUKOAKNSA-N -1 0 337.419 3.750 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)c(O)c1 ZINC000539943503 1037378286 /nfs/dbraw/zinc/37/82/86/1037378286.db2.gz OSJQRIXYQVXTQH-UHFFFAOYSA-N -1 0 345.342 3.829 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@]2(c3ccccc3)CC2(C)C)C1 ZINC000659146814 1037379292 /nfs/dbraw/zinc/37/92/92/1037379292.db2.gz WZGGXQBJVPFGAH-IIBYNOLFSA-N -1 0 343.467 3.704 20 0 EHADRM C[C@@H](NC(=O)C1CC2(C1)CCCCC2)c1ccc(OCC(=O)[O-])cc1 ZINC000659158270 1037384132 /nfs/dbraw/zinc/38/41/32/1037384132.db2.gz ZJSDTORNABLYFE-CQSZACIVSA-N -1 0 345.439 3.688 20 0 EHADRM Cc1cccc(C)c1[C@@H]1CCCN1C(=O)c1cccc(CC(=O)[O-])c1 ZINC000659167491 1037404771 /nfs/dbraw/zinc/40/47/71/1037404771.db2.gz OQUUEEIIPURJOJ-SFHVURJKSA-N -1 0 337.419 3.908 20 0 EHADRM CC[C@@H](Cc1ccc(F)cc1)NC(=O)CCc1ccccc1C(=O)[O-] ZINC000659168525 1037407752 /nfs/dbraw/zinc/40/77/52/1037407752.db2.gz XDQUIMLOAPOALC-KRWDZBQOSA-N -1 0 343.398 3.594 20 0 EHADRM O=c1nc(CN(CC2CCC2)c2ccccc2)[n-]c2ccsc21 ZINC000177180481 1037409811 /nfs/dbraw/zinc/40/98/11/1037409811.db2.gz MCAQPAZGXMEIDE-UHFFFAOYSA-N -1 0 325.437 3.791 20 0 EHADRM CC(C)c1ccc2c(c1)CN(C(=O)CC1CCC(C(=O)[O-])CC1)CC2 ZINC000659170788 1037409868 /nfs/dbraw/zinc/40/98/68/1037409868.db2.gz WDFOUYNHDADBET-UHFFFAOYSA-N -1 0 343.467 3.976 20 0 EHADRM Cc1ccc2c(c1)N(C(=O)c1cc(F)c([O-])c(Cl)c1)C[C@@H](C)O2 ZINC000573287873 1037421637 /nfs/dbraw/zinc/42/16/37/1037421637.db2.gz WDSPLHXCFPXFAD-SNVBAGLBSA-N -1 0 335.762 3.921 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2cccc(C(C)C)c2)n1 ZINC000659183551 1037435353 /nfs/dbraw/zinc/43/53/53/1037435353.db2.gz AZPTUPMSISCHPG-OAHLLOKOSA-N -1 0 329.400 3.685 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2cc(C)cc(Cl)c2)n1 ZINC000659183748 1037435770 /nfs/dbraw/zinc/43/57/70/1037435770.db2.gz YIKKARSBGWJXKU-ZDUSSCGKSA-N -1 0 335.791 3.523 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2cc3cccc(C)c3o2)n1 ZINC000659186810 1037448625 /nfs/dbraw/zinc/44/86/25/1037448625.db2.gz KIDMAMZJFYMKOG-ZDUSSCGKSA-N -1 0 341.367 3.616 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)C[C@@H](C)c2ccccc2C)n1 ZINC000659186484 1037451177 /nfs/dbraw/zinc/45/11/77/1037451177.db2.gz IMXRNTNZTKZBOG-ZBFHGGJFSA-N -1 0 343.427 3.750 20 0 EHADRM Cc1oc(C)c(C(=O)NC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)c1C ZINC000659186285 1037452070 /nfs/dbraw/zinc/45/20/70/1037452070.db2.gz XQUMOKIFCBBQLI-INIZCTEOSA-N -1 0 341.407 3.753 20 0 EHADRM C[C@H](CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21)c1ccccc1 ZINC000659191344 1037459729 /nfs/dbraw/zinc/45/97/29/1037459729.db2.gz CIPZFZFLMZOKAP-LAVFITLUSA-N -1 0 329.440 3.672 20 0 EHADRM CC(C)(C)c1ccc2cc(C(=O)NCc3ccoc3C(=O)[O-])[nH]c2c1 ZINC000659198590 1037472795 /nfs/dbraw/zinc/47/27/95/1037472795.db2.gz VFZWYMGPZAJADZ-UHFFFAOYSA-N -1 0 340.379 3.687 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC000659210490 1037480188 /nfs/dbraw/zinc/48/01/88/1037480188.db2.gz VIWQKISHVVVLSH-NSHDSACASA-N -1 0 335.400 3.580 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NC[C@H](CC(=O)[O-])C2CC2)c1 ZINC000659207931 1037489607 /nfs/dbraw/zinc/48/96/07/1037489607.db2.gz VWMAEBZJVPOYKA-ZBFHGGJFSA-N -1 0 347.455 3.503 20 0 EHADRM CC(C)Oc1ccc(/C=C/C(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000493639821 1037524367 /nfs/dbraw/zinc/52/43/67/1037524367.db2.gz FKVJXRLAULXIBG-WEVVVXLNSA-N -1 0 345.439 3.590 20 0 EHADRM O=C([O-])COc1cccc(C(=O)N2CCC[C@@H](C3CCCCC3)C2)c1 ZINC000659234792 1037548737 /nfs/dbraw/zinc/54/87/37/1037548737.db2.gz UNEFQZLJOLUYMS-QGZVFWFLSA-N -1 0 345.439 3.583 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)N[C@@H]1CCC[C@]1(C)C(=O)[O-] ZINC000659237122 1037550932 /nfs/dbraw/zinc/55/09/32/1037550932.db2.gz AFDVLEHCGBLNDB-CJNGLKHVSA-N -1 0 341.860 3.825 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H](CC)Oc2ccccc2F)c1 ZINC000462926499 1037553731 /nfs/dbraw/zinc/55/37/31/1037553731.db2.gz QLVCELAGCCLFBR-QGZVFWFLSA-N -1 0 345.370 3.920 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)c(F)c1 ZINC000303332273 1037561258 /nfs/dbraw/zinc/56/12/58/1037561258.db2.gz WZCKDWNMWATMDO-UHFFFAOYSA-N -1 0 349.305 3.834 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000659242064 1037564652 /nfs/dbraw/zinc/56/46/52/1037564652.db2.gz ZNXRIYWEUPHWLT-CJNGLKHVSA-N -1 0 343.345 3.555 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2cc(C)c(C)s2)c(C)cc1C ZINC000478683714 1037617388 /nfs/dbraw/zinc/61/73/88/1037617388.db2.gz FLQOPNLWTVAGQV-UHFFFAOYSA-N -1 0 325.455 3.791 20 0 EHADRM O=C([O-])[C@H]([NH2+]C/C=C/c1ccccc1)c1ccccc1Br ZINC000756348401 1037637725 /nfs/dbraw/zinc/63/77/25/1037637725.db2.gz KIRJRAYHMWEKFC-YXMGTMDOSA-N -1 0 346.224 3.878 20 0 EHADRM CC(C)(CF)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000472931247 1037658910 /nfs/dbraw/zinc/65/89/10/1037658910.db2.gz RQDQYKKJOIDTJI-UHFFFAOYSA-N -1 0 334.627 3.673 20 0 EHADRM C[C@@H](N=c1[n-]nc(Cc2ccccc2)s1)c1nc2c(s1)CCC2 ZINC000573664037 1037677509 /nfs/dbraw/zinc/67/75/09/1037677509.db2.gz HTXMTMIJIQMRQK-LLVKDONJSA-N -1 0 342.493 3.669 20 0 EHADRM C[C@@H]1C[C@@H](C)CN(C(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000303851816 1037795829 /nfs/dbraw/zinc/79/58/29/1037795829.db2.gz KWOIBYBLLCXALF-RKDXNWHRSA-N -1 0 346.652 3.926 20 0 EHADRM O=C(NN=c1ncc(F)c[n-]1)C1(c2cccc(Cl)c2)CCCCC1 ZINC000157655108 1037795424 /nfs/dbraw/zinc/79/54/24/1037795424.db2.gz AZQNQYWRAHLXND-UHFFFAOYSA-N -1 0 348.809 3.614 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000669434877 1037842973 /nfs/dbraw/zinc/84/29/73/1037842973.db2.gz MCERLYQXYTXOFI-ZDUSSCGKSA-N -1 0 344.436 3.794 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)c2ccc(OC3CCC3)cc2)s1 ZINC000463170300 1037848058 /nfs/dbraw/zinc/84/80/58/1037848058.db2.gz MJQSCSKWTDDDJX-UHFFFAOYSA-N -1 0 345.468 3.876 20 0 EHADRM Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(Cl)c(F)c1 ZINC000312685476 1037914509 /nfs/dbraw/zinc/91/45/09/1037914509.db2.gz PVAJOMQKRKGIDX-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CCOc1cccc(C(=O)/C=C/c2cccc(OCCC(=O)[O-])c2)c1 ZINC000058465131 1037939712 /nfs/dbraw/zinc/93/97/12/1037939712.db2.gz BKYOXXQUWMGCFP-MDZDMXLPSA-N -1 0 340.375 3.835 20 0 EHADRM Brc1ccc(CN=c2[n-]c(-c3ccccc3)no2)cc1 ZINC000592462114 1037996247 /nfs/dbraw/zinc/99/62/47/1037996247.db2.gz UVRRRWRROYQODB-UHFFFAOYSA-N -1 0 330.185 3.533 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)CC3CCC3)n2)cc1 ZINC000173330698 1038035063 /nfs/dbraw/zinc/03/50/63/1038035063.db2.gz HQZINOXYHCMUGU-UHFFFAOYSA-N -1 0 327.428 3.573 20 0 EHADRM O=C([O-])Cc1cscc1-c1ccc(OC[C@H]2CCCCO2)cc1 ZINC000520253868 1038035418 /nfs/dbraw/zinc/03/54/18/1038035418.db2.gz BRPLAXNFUCYXCZ-MRXNPFEDSA-N -1 0 332.421 3.990 20 0 EHADRM Cc1cnc([C@H](C)Sc2n[n-]c(=Nc3ccccc3F)s2)o1 ZINC000536536195 1038325325 /nfs/dbraw/zinc/32/53/25/1038325325.db2.gz ZVYQTBPWPRRQLA-VIFPVBQESA-N -1 0 336.417 3.992 20 0 EHADRM COc1cccc(CN=c2[n-]nc(C[C@@H](C)CC(C)(C)C)o2)c1OC ZINC000538507082 1038347181 /nfs/dbraw/zinc/34/71/81/1038347181.db2.gz DULFQJZBBZDIGZ-CYBMUJFWSA-N -1 0 347.459 3.736 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)C1CCCCC1 ZINC000538515176 1038355134 /nfs/dbraw/zinc/35/51/34/1038355134.db2.gz KHWOXLOFCCMYMD-RDBSUJKOSA-N -1 0 349.393 3.895 20 0 EHADRM O=C([O-])CC1(CNC(=O)CCc2ccc(Cl)cc2)CCCCC1 ZINC000538577320 1038399806 /nfs/dbraw/zinc/39/98/06/1038399806.db2.gz QPPLTTZLCAELKZ-UHFFFAOYSA-N -1 0 337.847 3.814 20 0 EHADRM O=C([O-])CC1(CNC(=O)CCc2cc3ccccc3o2)CCCCC1 ZINC000538575973 1038399881 /nfs/dbraw/zinc/39/98/81/1038399881.db2.gz UIUDKXKNHVHJTJ-UHFFFAOYSA-N -1 0 343.423 3.907 20 0 EHADRM COCC[C@@H](N=c1[n-]nc(-c2ccccc2)s1)c1ccc(C)o1 ZINC000538669526 1038462066 /nfs/dbraw/zinc/46/20/66/1038462066.db2.gz IBTCQVFNQIJYHM-CQSZACIVSA-N -1 0 329.425 3.718 20 0 EHADRM COC(=O)c1csc(NC(=O)c2ccc3[n-]c(=S)oc3c2)c1C ZINC000182122204 1038544474 /nfs/dbraw/zinc/54/44/74/1038544474.db2.gz ZQUWYKAVTOFOAJ-UHFFFAOYSA-N -1 0 348.405 3.525 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2cncc3ccccc32)c(C)c1 ZINC000538939144 1038604025 /nfs/dbraw/zinc/60/40/25/1038604025.db2.gz QJRZUEJRYSUXMV-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM Cc1ccccc1N=c1[n-]nc(C2CCC2)n1C[C@H]1CCCCO1 ZINC000461855335 1038634855 /nfs/dbraw/zinc/63/48/55/1038634855.db2.gz SDWKZEDVBWCCLP-MRXNPFEDSA-N -1 0 326.444 3.589 20 0 EHADRM Cc1ccccc1N=c1[n-]nc(C2CCC2)n1C[C@@H]1CCCCO1 ZINC000461855334 1038635076 /nfs/dbraw/zinc/63/50/76/1038635076.db2.gz SDWKZEDVBWCCLP-INIZCTEOSA-N -1 0 326.444 3.589 20 0 EHADRM CCCc1nc(=N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)s[n-]1 ZINC000461865954 1038640706 /nfs/dbraw/zinc/64/07/06/1038640706.db2.gz OVDPMBJQHGNXTF-LBPRGKRZSA-N -1 0 346.283 3.755 20 0 EHADRM CCCc1nc(=N[C@H](c2ccn(C)n2)c2ccc(Cl)cc2)s[n-]1 ZINC000461934860 1038683945 /nfs/dbraw/zinc/68/39/45/1038683945.db2.gz LYKRHSVBDNHXRH-HNNXBMFYSA-N -1 0 347.875 3.501 20 0 EHADRM CCC(CC)[C@@H]1C[C@@H](NC(=O)c2ccc3[n-]c(=S)oc3c2)CCO1 ZINC000183225342 1038684890 /nfs/dbraw/zinc/68/48/90/1038684890.db2.gz DONFSSCNWHTSET-ZFWWWQNUSA-N -1 0 348.468 3.830 20 0 EHADRM CC(C)Sc1ccc(C(=O)NCC2(C(=O)[O-])CCCCC2)cc1 ZINC000431880049 1038710777 /nfs/dbraw/zinc/71/07/77/1038710777.db2.gz CCKPZGVAMKHRON-UHFFFAOYSA-N -1 0 335.469 3.952 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2cccc(F)c2F)c1C ZINC000539192635 1038729247 /nfs/dbraw/zinc/72/92/47/1038729247.db2.gz OIZPCTNCLJWLJF-UHFFFAOYSA-N -1 0 329.393 3.796 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)s1 ZINC000910240425 1038783559 /nfs/dbraw/zinc/78/35/59/1038783559.db2.gz PUUAJNWZTVCAGM-FRRDWIJNSA-N -1 0 335.469 3.761 20 0 EHADRM O=C([O-])C12CCC(C(=O)NCc3ccc4sccc4c3)(CC1)CC2 ZINC000910241602 1038783892 /nfs/dbraw/zinc/78/38/92/1038783892.db2.gz DOLFGUIUYQBKPD-UHFFFAOYSA-N -1 0 343.448 3.943 20 0 EHADRM Cc1ccc2sc(C(=O)N3CC[C@H](C(=O)[O-])[C@H]4CCC[C@H]43)cc2c1 ZINC000910246107 1038786026 /nfs/dbraw/zinc/78/60/26/1038786026.db2.gz MUPRUMQWVKGCDP-QLFBSQMISA-N -1 0 343.448 3.925 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCCCc2ccccc2)[C@H]2CCC[C@H]21 ZINC000910248812 1038786187 /nfs/dbraw/zinc/78/61/87/1038786187.db2.gz SELHJWZSMZQAOJ-KSZLIROESA-N -1 0 329.440 3.501 20 0 EHADRM Cc1ccc([C@@H]2CCN(C(=O)C34CCC(C(=O)[O-])(CC3)CC4)C2)cc1 ZINC000910250238 1038789924 /nfs/dbraw/zinc/78/99/24/1038789924.db2.gz DTEPRLOWPRNJDY-MDMXATFFSA-N -1 0 341.451 3.736 20 0 EHADRM CC(C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C)=C1CCC1 ZINC000910254408 1038791919 /nfs/dbraw/zinc/79/19/19/1038791919.db2.gz WJGMXMXFPZJVJL-UHFFFAOYSA-N -1 0 338.201 3.895 20 0 EHADRM Cc1noc(C)c1S(=O)(=O)N[C@@H](c1ccccc1C)C(C)(C)C ZINC000431889997 1038817815 /nfs/dbraw/zinc/81/78/15/1038817815.db2.gz PAHYYGBAEHABNA-INIZCTEOSA-N -1 0 336.457 3.666 20 0 EHADRM COc1cccc([C@@H](C)CCCC(=O)NCc2cc(C(=O)[O-])co2)c1 ZINC000910311379 1038820482 /nfs/dbraw/zinc/82/04/82/1038820482.db2.gz XHKGQDOUAPGYTG-ZDUSSCGKSA-N -1 0 345.395 3.577 20 0 EHADRM C[C@H]1[C@@H](C(=O)[O-])CCN1c1ncnc2scc(-c3cccs3)c21 ZINC000910317978 1038824809 /nfs/dbraw/zinc/82/48/09/1038824809.db2.gz YQGZOVYLSCALFC-UWVGGRQHSA-N -1 0 345.449 3.719 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccc[nH]2)cc1)c1ccc(F)cc1F ZINC000539359545 1038846801 /nfs/dbraw/zinc/84/68/01/1038846801.db2.gz NALZVVBLORTGDH-UHFFFAOYSA-N -1 0 334.347 3.761 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N1CC[C@H](c2ccc(F)c(F)c2)C1(C)C ZINC000910410940 1038898703 /nfs/dbraw/zinc/89/87/03/1038898703.db2.gz BJLYDXYCTWUFKC-WCQYABFASA-N -1 0 339.382 3.560 20 0 EHADRM C[C@@H](CC(=O)N1CCc2cc(C(=O)[O-])ccc2C1)c1cccc(F)c1 ZINC000910499854 1038947094 /nfs/dbraw/zinc/94/70/94/1038947094.db2.gz YDRHKFJYUNSIDU-ZDUSSCGKSA-N -1 0 341.382 3.602 20 0 EHADRM CSc1cc(C)c(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])o1 ZINC000910503598 1038952683 /nfs/dbraw/zinc/95/26/83/1038952683.db2.gz FIQVHIQHQMIYOC-UHFFFAOYSA-N -1 0 327.446 3.519 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000910540370 1038958980 /nfs/dbraw/zinc/95/89/80/1038958980.db2.gz YQVCDDPRIBESCQ-DAWZGUTISA-N -1 0 331.456 3.651 20 0 EHADRM CC(C)CCC[C@H](NC(=O)c1sccc1Br)C(=O)[O-] ZINC000910573589 1038968282 /nfs/dbraw/zinc/96/82/82/1038968282.db2.gz WCLOVAHQJRMPRJ-JTQLQIEISA-N -1 0 348.262 3.520 20 0 EHADRM CCCCS[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC ZINC000910621895 1038991506 /nfs/dbraw/zinc/99/15/06/1038991506.db2.gz NXWGTVYMQSLKIG-NSHDSACASA-N -1 0 325.430 3.644 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCC[C@@H]3C(F)F)n2)c1 ZINC000552124008 1039003864 /nfs/dbraw/zinc/00/38/64/1039003864.db2.gz XYHYXGSHBANIKC-CQSZACIVSA-N -1 0 349.381 3.571 20 0 EHADRM COc1ccc(OC)c(CNc2cc(C(=O)[O-])ccc2OC(C)C)c1 ZINC000485398784 1039008619 /nfs/dbraw/zinc/00/86/19/1039008619.db2.gz MSUURKRBJBCJHA-UHFFFAOYSA-N -1 0 345.395 3.801 20 0 EHADRM CC[C@H](CC(=O)Nc1ncc(CC(=O)[O-])s1)c1ccc(C)cc1 ZINC000910672418 1039012243 /nfs/dbraw/zinc/01/22/43/1039012243.db2.gz ANWQLFJJJKLMBI-GFCCVEGCSA-N -1 0 332.425 3.601 20 0 EHADRM Cc1cc(Cl)ccc1NC(=O)c1nc[n-]c1C(=O)c1ccccc1 ZINC000485393264 1039022475 /nfs/dbraw/zinc/02/24/75/1039022475.db2.gz LKAWHTGKEPKFEE-UHFFFAOYSA-N -1 0 339.782 3.855 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)C[C@H](C)c2ccco2)nc1C(=O)[O-] ZINC000910717110 1039055253 /nfs/dbraw/zinc/05/52/53/1039055253.db2.gz BXBKQBFZARAFFF-JQWIXIFHSA-N -1 0 348.424 3.600 20 0 EHADRM CCOC(=O)c1coc(=N[C@H](C)c2oc3ccc(OC)cc3c2C)[n-]1 ZINC000418862207 1039066397 /nfs/dbraw/zinc/06/63/97/1039066397.db2.gz HOKLFHFCBOCWGL-LLVKDONJSA-N -1 0 344.367 3.510 20 0 EHADRM COc1ccc(NC(=O)CCSc2ccccc2F)c(C(=O)[O-])c1 ZINC000325381989 1039077042 /nfs/dbraw/zinc/07/70/42/1039077042.db2.gz AACSIJBAZJGLQN-UHFFFAOYSA-N -1 0 349.383 3.653 20 0 EHADRM Cc1cc(NC(=O)c2cc(O)ccc2Cl)cnc1Br ZINC000235878048 1039112715 /nfs/dbraw/zinc/11/27/15/1039112715.db2.gz NMYLLRBQENQODZ-UHFFFAOYSA-N -1 0 341.592 3.764 20 0 EHADRM CC(C)(CNC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1)CC(=O)[O-] ZINC000910830452 1039119272 /nfs/dbraw/zinc/11/92/72/1039119272.db2.gz HXGCJZCOZXMXPS-UHFFFAOYSA-N -1 0 345.361 3.757 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N(CC)Cc2occc2C)s1 ZINC000416847629 1039123309 /nfs/dbraw/zinc/12/33/09/1039123309.db2.gz YEDRZVAYRDAYJY-UHFFFAOYSA-N -1 0 336.461 3.819 20 0 EHADRM C[C@@H]1CC(C)(C)c2cccc(NC(=O)c3ccoc3CC(=O)[O-])c21 ZINC000910955680 1039157292 /nfs/dbraw/zinc/15/72/92/1039157292.db2.gz SJZUHZJNXWQRDS-LLVKDONJSA-N -1 0 327.380 3.944 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1nc(C(C)C)ncc1Cl ZINC000910959110 1039157310 /nfs/dbraw/zinc/15/73/10/1039157310.db2.gz ALDWKAPKWAOXFG-UHFFFAOYSA-N -1 0 347.802 3.766 20 0 EHADRM CC[C@@H](CC(=O)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1)C(C)(C)C ZINC000911047713 1039211045 /nfs/dbraw/zinc/21/10/45/1039211045.db2.gz VIRPFYIMNIOKLL-NEPJUHHUSA-N -1 0 338.473 3.620 20 0 EHADRM CCNc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](OCC)c1ccccc1 ZINC000911081809 1039214579 /nfs/dbraw/zinc/21/45/79/1039214579.db2.gz CTQGQIRHFCAOAK-KRWDZBQOSA-N -1 0 342.395 3.533 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc(-c3ccccc3)cc2)CCOCC1 ZINC000911083010 1039215815 /nfs/dbraw/zinc/21/58/15/1039215815.db2.gz WTPWSEHPTYOVJL-UHFFFAOYSA-N -1 0 339.391 3.564 20 0 EHADRM COc1ccc([C@@H](NC(=O)C(C)(C)CCC(=O)[O-])C2CCC2)cc1 ZINC000911063382 1039218880 /nfs/dbraw/zinc/21/88/80/1039218880.db2.gz USIZACLIZSILIU-KRWDZBQOSA-N -1 0 333.428 3.544 20 0 EHADRM C[C@@]1(Cc2cccs2)CCCN1C(=O)c1cccc(CC(=O)[O-])c1 ZINC000911063567 1039222270 /nfs/dbraw/zinc/22/22/70/1039222270.db2.gz ZKHQKFOXTFCMQZ-IBGZPJMESA-N -1 0 343.448 3.613 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@@]2(C)Cc2cccs2)oc1C(=O)[O-] ZINC000911063541 1039222536 /nfs/dbraw/zinc/22/25/36/1039222536.db2.gz YUTVCGNLVNORNA-KRWDZBQOSA-N -1 0 333.409 3.585 20 0 EHADRM CCCc1n[n-]c(=NCc2cc(Cl)c(OC)c(OCC)c2)s1 ZINC000554322571 1039235123 /nfs/dbraw/zinc/23/51/23/1039235123.db2.gz JAWVQPPLULAATM-UHFFFAOYSA-N -1 0 341.864 3.585 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000236835950 1039266208 /nfs/dbraw/zinc/26/62/08/1039266208.db2.gz QRYLLBUZKGHKQI-WDEREUQCSA-N -1 0 344.238 3.857 20 0 EHADRM CC1(C)C[C@H](N=c2[n-]nc(C(F)(F)F)s2)c2cc(F)ccc2O1 ZINC000651415829 1039302690 /nfs/dbraw/zinc/30/26/90/1039302690.db2.gz OJJOFYNHWSMTON-VIFPVBQESA-N -1 0 347.337 3.832 20 0 EHADRM C[C@H]1C[C@@H](c2cccnc2)N(C(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000911391609 1039342383 /nfs/dbraw/zinc/34/23/83/1039342383.db2.gz WOFCSXQEUQIUQN-ZBEGNZNMSA-N -1 0 344.798 3.657 20 0 EHADRM O=C([O-])Cc1occc1C(=O)Nc1cccc(NC2CCCC2)c1 ZINC000911367615 1039343056 /nfs/dbraw/zinc/34/30/56/1039343056.db2.gz AGYQLYAXKLPPPD-UHFFFAOYSA-N -1 0 328.368 3.514 20 0 EHADRM CC(C)(C)[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000485655777 1039361667 /nfs/dbraw/zinc/36/16/67/1039361667.db2.gz XZDPDTPZVIFART-JHJVBQTASA-N -1 0 343.345 3.630 20 0 EHADRM Cc1cc(C(=O)N[C@@H](C)CCC(=O)[O-])c(C)n1[C@@H](C)c1ccccc1 ZINC000237530069 1039381762 /nfs/dbraw/zinc/38/17/62/1039381762.db2.gz NTPWAEQQFMZTDH-ZFWWWQNUSA-N -1 0 342.439 3.697 20 0 EHADRM Cc1cc(C(=O)N[C@@H](C)CCC(=O)[O-])c(C)n1[C@H](C)c1ccccc1 ZINC000237530102 1039383088 /nfs/dbraw/zinc/38/30/88/1039383088.db2.gz NTPWAEQQFMZTDH-DZGCQCFKSA-N -1 0 342.439 3.697 20 0 EHADRM COc1nc(C(F)(F)F)ccc1-c1ccc2c(c1)C[C@H]1[C@@H]2[C@H]1C(=O)[O-] ZINC000906251718 1039410511 /nfs/dbraw/zinc/41/05/11/1039410511.db2.gz XLCGPCJQXQCZOH-CFVMTHIKSA-N -1 0 349.308 3.746 20 0 EHADRM COCCCOc1ccc(-c2ccc([C@@H](OC)C(=O)[O-])s2)cc1 ZINC000906249859 1039411268 /nfs/dbraw/zinc/41/12/68/1039411268.db2.gz LBAWVSWDCKCULE-MRXNPFEDSA-N -1 0 336.409 3.603 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC000261947142 1039419440 /nfs/dbraw/zinc/41/94/40/1039419440.db2.gz VUOLVKRUFDJAQT-STQMWFEESA-N -1 0 329.318 3.621 20 0 EHADRM C/C(=C/C1CCC(C)CC1)C(=O)N[C@@](C)(CC(=O)[O-])c1ccncc1 ZINC000911626724 1039440409 /nfs/dbraw/zinc/44/04/09/1039440409.db2.gz ULMUXHLRZSPZCI-PLJFSWTISA-N -1 0 344.455 3.660 20 0 EHADRM Cc1cc(F)ccc1NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000478459295 1039450999 /nfs/dbraw/zinc/45/09/99/1039450999.db2.gz YSYSVBJISBIDKZ-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)Nc1cc(C(=O)[O-])c(C)cc1F ZINC000911681090 1039455856 /nfs/dbraw/zinc/45/58/56/1039455856.db2.gz INWLQGGGTXPMSG-GFCCVEGCSA-N -1 0 345.370 3.973 20 0 EHADRM Cc1ccc(CO[C@H](C)C(=O)Nc2cc(C(=O)[O-])c(C)cc2F)cc1 ZINC000911687247 1039459620 /nfs/dbraw/zinc/45/96/20/1039459620.db2.gz CZFLJMLOKZTAAN-CYBMUJFWSA-N -1 0 345.370 3.685 20 0 EHADRM CCC[C@H](C(=O)Nc1cc(C(=O)[O-])c(C)cc1F)c1ccccn1 ZINC000911690157 1039462458 /nfs/dbraw/zinc/46/24/58/1039462458.db2.gz XSPDAGHAQIEIAZ-LBPRGKRZSA-N -1 0 330.359 3.750 20 0 EHADRM O=C([O-])CCCCC(=O)N[C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000911698616 1039466910 /nfs/dbraw/zinc/46/69/10/1039466910.db2.gz BFAHYSUUTXYZMW-NSHDSACASA-N -1 0 346.210 3.578 20 0 EHADRM CC(C)(CCC(=O)[O-])C(=O)NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000911717141 1039470185 /nfs/dbraw/zinc/47/01/85/1039470185.db2.gz FKTDTOFBZZFMNE-UHFFFAOYSA-N -1 0 341.810 3.674 20 0 EHADRM CCC[C@@H]1C[C@H](C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)CCO1 ZINC000911738380 1039478634 /nfs/dbraw/zinc/47/86/34/1039478634.db2.gz REXVWSIPFOLGKW-ZIAGYGMSSA-N -1 0 349.427 3.706 20 0 EHADRM CC1(C)Cc2ccc(Br)cc2[C@H]1N=c1[n-]nc(C2CC2)o1 ZINC000488959841 1039504139 /nfs/dbraw/zinc/50/41/39/1039504139.db2.gz FVAPIRKGFRAMRS-CYBMUJFWSA-N -1 0 348.244 3.867 20 0 EHADRM CCc1ccc([C@@H]2CCN(C(=O)CC3CCC(C(=O)[O-])CC3)C2)cc1 ZINC000911758587 1039506496 /nfs/dbraw/zinc/50/64/96/1039506496.db2.gz YUIDVOGBGPXQJC-NKELODKYSA-N -1 0 343.467 3.846 20 0 EHADRM CC1(C)C[C@H](N=c2[n-]nc(C(F)(F)F)s2)c2ccc(F)cc2O1 ZINC000480405840 1039516542 /nfs/dbraw/zinc/51/65/42/1039516542.db2.gz CRBODKBBIJHKQG-VIFPVBQESA-N -1 0 347.337 3.832 20 0 EHADRM CC(C)[C@H]1N(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])CC1(C)C ZINC000480518850 1039646290 /nfs/dbraw/zinc/64/62/90/1039646290.db2.gz NQWQSOSZKVUFRI-MRXNPFEDSA-N -1 0 347.846 3.738 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2ccc(Cl)s2)c(C)cc1C ZINC000478707523 1039646579 /nfs/dbraw/zinc/64/65/79/1039646579.db2.gz XVFGRMOCLZRMAT-UHFFFAOYSA-N -1 0 331.846 3.828 20 0 EHADRM Clc1cc(Cl)cc(CCN=c2[n-]nc(-c3ccon3)s2)c1 ZINC000552987299 1039688859 /nfs/dbraw/zinc/68/88/59/1039688859.db2.gz GRMZACJXXFSGOO-UHFFFAOYSA-N -1 0 341.223 3.576 20 0 EHADRM Cc1cc(NC(=O)Cc2ccccc2OC(F)F)cc(C(=O)[O-])c1C ZINC000485939769 1039703962 /nfs/dbraw/zinc/70/39/62/1039703962.db2.gz JLCHXAGKYWISLQ-UHFFFAOYSA-N -1 0 349.333 3.784 20 0 EHADRM Cc1cc(NC(=O)CCc2cc(F)ccc2F)cc(C(=O)[O-])c1C ZINC000485937660 1039717934 /nfs/dbraw/zinc/71/79/34/1039717934.db2.gz DWHLXXVHLAXVTH-UHFFFAOYSA-N -1 0 333.334 3.851 20 0 EHADRM Cc1nc([N-]S(=O)(=O)c2cccs2)ccc1-c1ccccc1 ZINC000584753971 1039725985 /nfs/dbraw/zinc/72/59/85/1039725985.db2.gz ZQMPJVCHGLAWAY-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM COc1cc(/C=C(\CC(=O)[O-])c2nc3ccccc3o2)ccc1O ZINC000007913947 1039748183 /nfs/dbraw/zinc/74/81/83/1039748183.db2.gz UNJJHPOZVWKSOT-XYOKQWHBSA-N -1 0 325.320 3.557 20 0 EHADRM Cc1nn(-c2ccc(F)cc2)cc1CN=c1nc(C(C)(C)C)[n-]s1 ZINC000489311442 1039819054 /nfs/dbraw/zinc/81/90/54/1039819054.db2.gz HCVKMQSHTJEJBQ-UHFFFAOYSA-N -1 0 345.447 3.503 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccnn1[C@H](C)CC(C)C ZINC000479062946 1039928386 /nfs/dbraw/zinc/92/83/86/1039928386.db2.gz OQPLDZGBXKZQLS-CYBMUJFWSA-N -1 0 339.436 3.739 20 0 EHADRM CCS(=O)(=O)[N-]c1nc(C2CC2)c(Cc2ccccc2F)s1 ZINC000479080471 1039952994 /nfs/dbraw/zinc/95/29/94/1039952994.db2.gz SCNQXRWVPLIAAQ-UHFFFAOYSA-N -1 0 340.445 3.512 20 0 EHADRM CN(C[C@@H]1CC=CCC1)C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000584819432 1039971967 /nfs/dbraw/zinc/97/19/67/1039971967.db2.gz CKUFOIVUSLMLBY-LLVKDONJSA-N -1 0 334.470 3.509 20 0 EHADRM CC(C)c1cnc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)s1 ZINC000417561420 1039987334 /nfs/dbraw/zinc/98/73/34/1039987334.db2.gz LENPBZACKKUJIK-CQSZACIVSA-N -1 0 342.823 3.975 20 0 EHADRM COc1ccccc1[C@H](NCc1cnc(C2CCCC2)s1)C(=O)[O-] ZINC000417561361 1039987366 /nfs/dbraw/zinc/98/73/66/1039987366.db2.gz AZRJZTAVHSKJQJ-INIZCTEOSA-N -1 0 346.452 3.725 20 0 EHADRM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(OC)cc1F ZINC000479116097 1039987976 /nfs/dbraw/zinc/98/79/76/1039987976.db2.gz RVLVLFPOPGPFJT-UHFFFAOYSA-N -1 0 337.416 3.760 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NCc1ncc(C(F)(F)F)s1)c1ccccc1 ZINC000417557355 1040000951 /nfs/dbraw/zinc/00/09/51/1040000951.db2.gz BHCITJBNTDBFSR-TVQRCGJNSA-N -1 0 344.358 3.714 20 0 EHADRM CCCn1cc(CN[C@H](C(=O)[O-])c2c(Cl)cccc2Cl)cn1 ZINC000417563712 1040011809 /nfs/dbraw/zinc/01/18/09/1040011809.db2.gz NTDRYTOPFKLEAR-AWEZNQCLSA-N -1 0 342.226 3.515 20 0 EHADRM Cc1cccc([C@@H](NCc2ncc(C(C)(C)C)s2)C(=O)[O-])c1C ZINC000417568592 1040019641 /nfs/dbraw/zinc/01/96/41/1040019641.db2.gz UIAUUTPVDAUTLP-MRXNPFEDSA-N -1 0 332.469 3.973 20 0 EHADRM CCOc1c(Cl)cc(CNc2ccc(CC(=O)[O-])cc2)cc1OC ZINC000417577689 1040022291 /nfs/dbraw/zinc/02/22/91/1040022291.db2.gz JQVAAWIFVMUOQO-UHFFFAOYSA-N -1 0 349.814 3.987 20 0 EHADRM COc1ccc([C@@H](CCC(=O)[O-])[NH2+]Cc2cc(OC)ccc2F)cc1 ZINC000417583523 1040034144 /nfs/dbraw/zinc/03/41/44/1040034144.db2.gz WQWZLCGVJRJBHG-GOSISDBHSA-N -1 0 347.386 3.539 20 0 EHADRM CC[C@@H](Cc1ccc(NCc2cnc(C3CC3)nc2)cc1)C(=O)[O-] ZINC000417607878 1040058187 /nfs/dbraw/zinc/05/81/87/1040058187.db2.gz HNQCOYFUIBEKGB-HNNXBMFYSA-N -1 0 325.412 3.619 20 0 EHADRM C[C@@H](Cc1ccc(NCc2cnc([C@H]3CCCO3)s2)cc1)C(=O)[O-] ZINC000417610884 1040063532 /nfs/dbraw/zinc/06/35/32/1040063532.db2.gz ODDKNYMVSJVEDB-BLLLJJGKSA-N -1 0 346.452 3.870 20 0 EHADRM C[C@H](Cc1ccc(NCc2cnc([C@H]3CCCO3)s2)cc1)C(=O)[O-] ZINC000417610886 1040065291 /nfs/dbraw/zinc/06/52/91/1040065291.db2.gz ODDKNYMVSJVEDB-MLGOLLRUSA-N -1 0 346.452 3.870 20 0 EHADRM COCCOc1ccc(CNc2ccc([C@@H](C)CC(=O)[O-])cc2)cc1 ZINC000417611267 1040082030 /nfs/dbraw/zinc/08/20/30/1040082030.db2.gz OSTHRKHIGXPXCH-HNNXBMFYSA-N -1 0 343.423 3.902 20 0 EHADRM COCCOc1cccc(CNc2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC000417615885 1040086777 /nfs/dbraw/zinc/08/67/77/1040086777.db2.gz YDNVDWADRDEGAQ-HNNXBMFYSA-N -1 0 343.423 3.587 20 0 EHADRM Fc1ccc(Cc2n[n-]c(=NC[C@@H]3CCC(F)(F)C3)s2)cc1 ZINC000584852587 1040104127 /nfs/dbraw/zinc/10/41/27/1040104127.db2.gz LCRGTIDTKOGSFN-LLVKDONJSA-N -1 0 327.375 3.537 20 0 EHADRM CC1=C(C)C[C@](C)(C(=O)N(C)Cc2ccc(OCC(=O)[O-])cc2)CC1 ZINC000907625833 1040109149 /nfs/dbraw/zinc/10/91/49/1040109149.db2.gz BJYYYEZECSOUNR-HXUWFJFHSA-N -1 0 345.439 3.635 20 0 EHADRM CSc1ccc(CCC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000907628313 1040110389 /nfs/dbraw/zinc/11/03/89/1040110389.db2.gz IYAYMCNGVWGTOZ-HNNXBMFYSA-N -1 0 349.496 3.691 20 0 EHADRM C[C@H](Sc1ccc(NCc2cnc(C3CC3)nc2)cc1)C(=O)[O-] ZINC000417661178 1040126975 /nfs/dbraw/zinc/12/69/75/1040126975.db2.gz RREQQLJKQILCGI-NSHDSACASA-N -1 0 329.425 3.531 20 0 EHADRM Cc1cc(CNCc2nc3c(s2)C[C@@H](C)CC3)ccc1C(=O)[O-] ZINC000417666432 1040145153 /nfs/dbraw/zinc/14/51/53/1040145153.db2.gz FXPVGUSOPVDLSY-NSHDSACASA-N -1 0 330.453 3.564 20 0 EHADRM O=C([O-])[C@@]1(C(=O)N2C[C@@H]3CC[C@H]2c2ccccc23)C[C@H]1c1ccccc1 ZINC000907760160 1040156655 /nfs/dbraw/zinc/15/66/55/1040156655.db2.gz FTHVASWYRFMLAC-BCSOYYNPSA-N -1 0 347.414 3.706 20 0 EHADRM Cc1cccc(OCCCN=c2[n-]nc(-c3ccccn3)s2)c1C ZINC000486489440 1040166368 /nfs/dbraw/zinc/16/63/68/1040166368.db2.gz TVTOTHNHERLFAG-UHFFFAOYSA-N -1 0 340.452 3.520 20 0 EHADRM COc1cccc(Cl)c1CNCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC000417695298 1040169338 /nfs/dbraw/zinc/16/93/38/1040169338.db2.gz AXVSHDAZWUSXCP-UHFFFAOYSA-N -1 0 346.814 3.609 20 0 EHADRM CCC(CC)(CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1)C(=O)[O-] ZINC000391933257 1040181646 /nfs/dbraw/zinc/18/16/46/1040181646.db2.gz IRQFFAOMZVWVDV-MRXNPFEDSA-N -1 0 333.428 3.640 20 0 EHADRM Cc1cc(NC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)c(C)c(C)c1O ZINC000907830233 1040191841 /nfs/dbraw/zinc/19/18/41/1040191841.db2.gz JQUFEAAZONJEDC-YWZLYKJASA-N -1 0 339.391 3.514 20 0 EHADRM CC[C@@H]1[C@@H](C)CCN1C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000479423446 1040210676 /nfs/dbraw/zinc/21/06/76/1040210676.db2.gz PNLPSIJQEXVTER-WMLDXEAASA-N -1 0 341.455 3.962 20 0 EHADRM CC[C@H]1[C@@H](C)CCN1C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000479423448 1040212275 /nfs/dbraw/zinc/21/22/75/1040212275.db2.gz PNLPSIJQEXVTER-YOEHRIQHSA-N -1 0 341.455 3.962 20 0 EHADRM c1cc(-c2n[n-]c(=N[C@H]3CCC[C@@H](c4ccccc4)C3)s2)no1 ZINC000553580728 1040214788 /nfs/dbraw/zinc/21/47/88/1040214788.db2.gz SIFOVRVLHCSTLP-KGLIPLIRSA-N -1 0 326.425 3.753 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@H]23)cc1 ZINC000907936843 1040237161 /nfs/dbraw/zinc/23/71/61/1040237161.db2.gz UVJHTCPMZDRGPB-HWDJUHOGSA-N -1 0 343.467 3.919 20 0 EHADRM C[C@@H](CN(C)C(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1)C(=O)[O-] ZINC000417804097 1040239296 /nfs/dbraw/zinc/23/92/96/1040239296.db2.gz YSXKLRDTPFXVBX-JTQLQIEISA-N -1 0 346.349 3.711 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(C3(C)CCCC3)on2)cc1C ZINC000432955058 1040258142 /nfs/dbraw/zinc/25/81/42/1040258142.db2.gz QTYAABCXXQEZAH-UHFFFAOYSA-N -1 0 334.441 3.924 20 0 EHADRM C[C@H](N=c1[n-]nc(C2CCOCC2)s1)c1cc2ccccc2o1 ZINC000555194744 1040266179 /nfs/dbraw/zinc/26/61/79/1040266179.db2.gz DEIQLLRMSPFFAA-NSHDSACASA-N -1 0 329.425 3.773 20 0 EHADRM CN(C(=O)[C@H]1C[C@@]12CCCc1ccccc12)c1cccc(CC(=O)[O-])c1 ZINC000908078727 1040289482 /nfs/dbraw/zinc/28/94/82/1040289482.db2.gz AZBXZBNUJILTOU-DENIHFKCSA-N -1 0 349.430 3.571 20 0 EHADRM CCc1nc2cc(NC(=O)N3CCCC[C@H]3CCC(=O)[O-])ccc2o1 ZINC000899312204 1040312005 /nfs/dbraw/zinc/31/20/05/1040312005.db2.gz VXKCGRYMNRHDSW-ZDUSSCGKSA-N -1 0 345.399 3.641 20 0 EHADRM CC(C)c1ccccc1C(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC000908173197 1040315867 /nfs/dbraw/zinc/31/58/67/1040315867.db2.gz JQNXEYAETRNIFN-SHYRYGCCSA-N -1 0 347.480 3.669 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cn1 ZINC000899317186 1040319361 /nfs/dbraw/zinc/31/93/61/1040319361.db2.gz MAHCUEDFGSJBQD-CQSZACIVSA-N -1 0 333.432 3.630 20 0 EHADRM Cc1ccc([C@H](C)[C@@H](O)C(=O)Nc2cc(Cl)c([O-])cc2F)cc1 ZINC000553688141 1040336738 /nfs/dbraw/zinc/33/67/38/1040336738.db2.gz CDLWDLHFSPFQFG-MGPLVRAMSA-N -1 0 337.778 3.596 20 0 EHADRM O=c1c(C(F)(F)F)c(C2CC2)[n-]n1-c1nc2ccccc2s1 ZINC000899346083 1040349268 /nfs/dbraw/zinc/34/92/68/1040349268.db2.gz AWVBCXMVEOYKPE-SNVBAGLBSA-N -1 0 325.315 3.587 20 0 EHADRM COc1cc(C)c([N-]S(=O)(=O)c2cccc(Cl)c2F)cc1F ZINC000479545396 1040355046 /nfs/dbraw/zinc/35/50/46/1040355046.db2.gz SAWVVBBXFNAGNI-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM O=c1c(C(F)(F)F)c(C2CC2)[n-]n1[C@@H]1CCc2c1cccc2F ZINC000899356297 1040365181 /nfs/dbraw/zinc/36/51/81/1040365181.db2.gz JICMYVUYHFATTN-OLZOCXBDSA-N -1 0 326.293 3.600 20 0 EHADRM CC(C)(CC(=O)N[C@H](CC(=O)[O-])Cc1ccccc1)CC(F)(F)F ZINC000908242649 1040367543 /nfs/dbraw/zinc/36/75/43/1040367543.db2.gz GPULPSHKUMIQPC-ZDUSSCGKSA-N -1 0 345.361 3.557 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1ccccc1C(F)(F)F)CC1CCCC1 ZINC000908276825 1040379712 /nfs/dbraw/zinc/37/97/12/1040379712.db2.gz KGPWPQISMBQIIT-GFCCVEGCSA-N -1 0 343.345 3.716 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)C[C@]23CCCC[C@H]2C3(F)F)CCC1 ZINC000908337460 1040399370 /nfs/dbraw/zinc/39/93/70/1040399370.db2.gz BMXBGIGZMDIMNX-CXAGYDPISA-N -1 0 343.414 3.743 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908338204 1040400092 /nfs/dbraw/zinc/40/00/92/1040400092.db2.gz HXHLRWQLLLRBLX-UHFFFAOYSA-N -1 0 347.455 3.514 20 0 EHADRM CS[C@@H](C(=O)NCCCCC1(C(=O)[O-])CCC1)c1ccccc1 ZINC000908336172 1040400225 /nfs/dbraw/zinc/40/02/25/1040400225.db2.gz JJXSUGGHRDHIQK-OAHLLOKOSA-N -1 0 335.469 3.632 20 0 EHADRM COc1cc(Cl)ccc1C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908342456 1040402709 /nfs/dbraw/zinc/40/27/09/1040402709.db2.gz JOULFHDMISPHSS-UHFFFAOYSA-N -1 0 339.819 3.504 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)c2coc3cc(F)ccc23)CCC1 ZINC000908328382 1040409720 /nfs/dbraw/zinc/40/97/20/1040409720.db2.gz LZYRJNIDYIIQCL-UHFFFAOYSA-N -1 0 333.359 3.727 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1 ZINC000908367558 1040415548 /nfs/dbraw/zinc/41/55/48/1040415548.db2.gz IDLLHLKVANQPQF-NTZNESFSSA-N -1 0 341.860 3.580 20 0 EHADRM C[C@@H](C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC000908382480 1040425868 /nfs/dbraw/zinc/42/58/68/1040425868.db2.gz GWGDMRAOTRKYLN-UHIISALHSA-N -1 0 343.345 3.569 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2cccc(COC(C)(C)C)c2)[C@@H](C(=O)[O-])C1 ZINC000908635985 1040542208 /nfs/dbraw/zinc/54/22/08/1040542208.db2.gz ONJVYBJNGOPGBC-XJKSGUPXSA-N -1 0 348.443 3.719 20 0 EHADRM CC(C)c1cnc(NC(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)s1 ZINC000908680802 1040570694 /nfs/dbraw/zinc/57/06/94/1040570694.db2.gz GYLUUIXGADBJSI-CYBMUJFWSA-N -1 0 333.413 3.556 20 0 EHADRM CCc1oc(C(=O)NCCc2ccc3ccccc3c2)cc1C(=O)[O-] ZINC000555426670 1040571697 /nfs/dbraw/zinc/57/16/97/1040571697.db2.gz RVRZPYAIOAAVDM-UHFFFAOYSA-N -1 0 337.375 3.666 20 0 EHADRM CCC(CC)[C@@H](NC(=O)c1ccoc1CC(=O)[O-])c1ccccc1 ZINC000908728997 1040612773 /nfs/dbraw/zinc/61/27/73/1040612773.db2.gz GAZXXWSCCPVIJO-GOSISDBHSA-N -1 0 329.396 3.814 20 0 EHADRM C[C@H](CN(C)C(=O)c1ccccc1CCC(=O)[O-])c1ccccc1 ZINC000908775740 1040633938 /nfs/dbraw/zinc/63/39/38/1040633938.db2.gz JBVJJMOIQDYWLV-OAHLLOKOSA-N -1 0 325.408 3.580 20 0 EHADRM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1csc(C(=O)[O-])n1 ZINC000908767313 1040641097 /nfs/dbraw/zinc/64/10/97/1040641097.db2.gz BIUHWDVWEPIHMH-ZFWWWQNUSA-N -1 0 344.436 3.640 20 0 EHADRM O=C([O-])C12CCC(C(=O)Nc3ccc4scnc4c3)(CC1)CC2 ZINC000908769869 1040643992 /nfs/dbraw/zinc/64/39/92/1040643992.db2.gz ATNYQBJDVDBTIL-UHFFFAOYSA-N -1 0 330.409 3.660 20 0 EHADRM Cc1cc(=NC(=O)N(C)[C@@H](c2ccc(F)cc2)C(C)C)[n-]nc1C ZINC000433082327 1040673060 /nfs/dbraw/zinc/67/30/60/1040673060.db2.gz KIECJQMCFWVPBG-QGZVFWFLSA-N -1 0 330.407 3.515 20 0 EHADRM CC[C@@H]1C[C@@H](CC(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)CCO1 ZINC000908900435 1040706772 /nfs/dbraw/zinc/70/67/72/1040706772.db2.gz AGXQHPFGFXNYOK-DZGCQCFKSA-N -1 0 349.427 3.706 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1occ2c1CCC2 ZINC000908900439 1040707043 /nfs/dbraw/zinc/70/70/43/1040707043.db2.gz AHIKZDAEOKSKQR-UHFFFAOYSA-N -1 0 329.352 3.506 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)s1 ZINC000512734115 1040715111 /nfs/dbraw/zinc/71/51/11/1040715111.db2.gz IWICCTBKWHXRBB-LSDHHAIUSA-N -1 0 344.484 3.760 20 0 EHADRM O=C(Nc1ccc(OC2CCC2)c(F)c1)c1s[n-]c(=O)c1Cl ZINC000555540575 1040788586 /nfs/dbraw/zinc/78/85/86/1040788586.db2.gz VNYHKVACVYSROY-UHFFFAOYSA-N -1 0 342.779 3.825 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1cnccc1Oc1ccccc1 ZINC000909148314 1040844478 /nfs/dbraw/zinc/84/44/78/1040844478.db2.gz XVFLJLYHQPTBPQ-UHFFFAOYSA-N -1 0 342.395 3.639 20 0 EHADRM O=S(=O)([N-]c1cc(-c2ccccc2)on1)c1ccc(Cl)cc1 ZINC000481408018 1040862233 /nfs/dbraw/zinc/86/22/33/1040862233.db2.gz UNVDIECZHRBUSA-UHFFFAOYSA-N -1 0 334.784 3.796 20 0 EHADRM CCOCc1ccc(-c2ccc3c(c2)[C@@H](CC(=O)[O-])C(=O)N3)cc1F ZINC000899633701 1040884989 /nfs/dbraw/zinc/88/49/89/1040884989.db2.gz HFRVFZDDXLCVAD-OAHLLOKOSA-N -1 0 343.354 3.540 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3F)on2)cc1 ZINC000433150513 1040911218 /nfs/dbraw/zinc/91/12/18/1040911218.db2.gz GOPVTJNSRQVGMF-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM CN(C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])[C@@H]1CCC(C)(C)C1 ZINC000614289317 1040940786 /nfs/dbraw/zinc/94/07/86/1040940786.db2.gz XTUQFYDXPGNPFC-CQSZACIVSA-N -1 0 347.846 3.882 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N1CCC[C@H]1CCC1CCCCC1 ZINC000909724266 1040967530 /nfs/dbraw/zinc/96/75/30/1040967530.db2.gz AVNLMWFRYHSVJP-HNNXBMFYSA-N -1 0 333.428 3.872 20 0 EHADRM Cc1ccc(CNC(=O)N(CC(=O)[O-])[C@H](C)c2ccccc2)c(C)c1 ZINC000570904593 1040977799 /nfs/dbraw/zinc/97/77/99/1040977799.db2.gz VGNIRPIHXDITQD-MRXNPFEDSA-N -1 0 340.423 3.661 20 0 EHADRM CCN(CC(C)C)C(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1 ZINC000481505526 1040983562 /nfs/dbraw/zinc/98/35/62/1040983562.db2.gz AJHOXNFDUNJAJK-UHFFFAOYSA-N -1 0 338.864 3.790 20 0 EHADRM COc1cccc([C@@H](C)C(=O)Nc2ccc3[n-]c(=S)oc3c2)c1 ZINC000163687085 1040988452 /nfs/dbraw/zinc/98/84/52/1040988452.db2.gz VWTICANGNUKFSX-SNVBAGLBSA-N -1 0 328.393 3.867 20 0 EHADRM Cc1c(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)cnn1CCC(C)C ZINC000909830511 1041015615 /nfs/dbraw/zinc/01/56/15/1041015615.db2.gz LGHFWTNUCDNVRO-ZDUSSCGKSA-N -1 0 343.427 3.678 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)CC2CC(OC(C)(C)C)C2)cc1 ZINC000909835906 1041030765 /nfs/dbraw/zinc/03/07/65/1041030765.db2.gz KYDZMZLEHHJHQC-VEAWUBTESA-N -1 0 333.428 3.797 20 0 EHADRM Cc1nc(CC2CC2)sc1C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000909833329 1041032299 /nfs/dbraw/zinc/03/22/99/1041032299.db2.gz HTPJLWZLTRRJNB-JTQLQIEISA-N -1 0 344.436 3.844 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)N(CC(=O)[O-])[C@H](C)c2ccccc2)cc1 ZINC000555705274 1041041190 /nfs/dbraw/zinc/04/11/90/1041041190.db2.gz GLTPWJRFBSHANS-HZPDHXFCSA-N -1 0 340.423 3.913 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@H](c1ccncc1)C1CCCC1)CC(=O)[O-] ZINC000909874204 1041043791 /nfs/dbraw/zinc/04/37/91/1041043791.db2.gz AHNUXBMXNKJDID-KXBFYZLASA-N -1 0 346.471 3.609 20 0 EHADRM C[C@@H]1CCCC[C@@H]1NC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000555723880 1041045634 /nfs/dbraw/zinc/04/56/34/1041045634.db2.gz ZHDHEAWGIRONDT-DOMZBBRYSA-N -1 0 338.835 3.515 20 0 EHADRM C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1cccs1)c1ccc(Cl)cc1 ZINC000652051606 1041049330 /nfs/dbraw/zinc/04/93/30/1041049330.db2.gz KXUWSIPCYYTMOQ-GWCFXTLKSA-N -1 0 337.828 3.837 20 0 EHADRM CCC(C)(C)c1ccc(C(=O)N[C@H](CC2(OC)CCC2)C(=O)[O-])cc1 ZINC000909892198 1041056108 /nfs/dbraw/zinc/05/61/08/1041056108.db2.gz BQVUXZVJSQENRT-MRXNPFEDSA-N -1 0 347.455 3.516 20 0 EHADRM CCOc1cc(C)ccc1NC(=O)C[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000899763907 1041092450 /nfs/dbraw/zinc/09/24/50/1041092450.db2.gz HZRVAUOCWXWRBR-MRXNPFEDSA-N -1 0 341.407 3.899 20 0 EHADRM CCC[C@H](NC(=O)C[C@@H](C(=O)[O-])c1ccc(C)cc1)c1ccccn1 ZINC000899765253 1041093631 /nfs/dbraw/zinc/09/36/31/1041093631.db2.gz CBKWHVQGQLLJQY-AEFFLSMTSA-N -1 0 340.423 3.606 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1c(F)cccc1Br ZINC000899773444 1041110887 /nfs/dbraw/zinc/11/08/87/1041110887.db2.gz MGMIKLFFTUADLU-SECBINFHSA-N -1 0 346.196 3.664 20 0 EHADRM Cc1ccc([C@H](CC(=O)N[C@H](C)C2CCC(F)CC2)C(=O)[O-])cc1 ZINC000899792155 1041117871 /nfs/dbraw/zinc/11/78/71/1041117871.db2.gz MQDBBPMXJPNQSH-LYSZQXJVSA-N -1 0 335.419 3.586 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N[C@H](C)C2CCC(F)CC2)C(=O)[O-])cc1 ZINC000899792156 1041118102 /nfs/dbraw/zinc/11/81/02/1041118102.db2.gz MQDBBPMXJPNQSH-RKHAHWSXSA-N -1 0 335.419 3.586 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1ccc(-c2ccccn2)cc1 ZINC000899786317 1041121612 /nfs/dbraw/zinc/12/16/12/1041121612.db2.gz RAQVFWDAKWYMFC-OAHLLOKOSA-N -1 0 326.396 3.824 20 0 EHADRM N#CC(=C([O-])C=Cc1ccncn1)c1nc2cc(Cl)ccc2s1 ZINC000156334905 1041122542 /nfs/dbraw/zinc/12/25/42/1041122542.db2.gz IVIUGUBQEOQBIK-QAVQXKDTSA-N -1 0 340.795 3.629 20 0 EHADRM CO[C@H](C)c1nc(=NC2CC(c3ccc(F)c(Cl)c3)C2)s[n-]1 ZINC000509832836 1041133946 /nfs/dbraw/zinc/13/39/46/1041133946.db2.gz DMPQWAPZKICBGF-MFAVDMRSSA-N -1 0 341.839 3.818 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)N(C)[C@@H](C)c1cc(F)ccc1F ZINC000899799137 1041136262 /nfs/dbraw/zinc/13/62/62/1041136262.db2.gz OKDDKAWKHOUFFA-NWDGAFQWSA-N -1 0 327.371 3.621 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)NCc1ccccc1CC(F)(F)F ZINC000899794081 1041143327 /nfs/dbraw/zinc/14/33/27/1041143327.db2.gz HCSMSRBPCQUISH-AWEZNQCLSA-N -1 0 345.361 3.545 20 0 EHADRM O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000571017665 1041145003 /nfs/dbraw/zinc/14/50/03/1041145003.db2.gz RETFUWKICTYCMQ-SJORKVTESA-N -1 0 348.406 3.700 20 0 EHADRM Clc1cc2c(s1)CC[C@H]2N=c1[n-]nc(-c2ccccn2)s1 ZINC000571018960 1041147460 /nfs/dbraw/zinc/14/74/60/1041147460.db2.gz OGFKOVSVMJMONP-SECBINFHSA-N -1 0 334.857 3.836 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1ccc2cnn(C(C)C)c2c1 ZINC000899804114 1041160819 /nfs/dbraw/zinc/16/08/19/1041160819.db2.gz WGOBFNFNDWOKDD-CQSZACIVSA-N -1 0 331.416 3.693 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1ccc2cnn(C(C)C)c2c1 ZINC000899804113 1041162002 /nfs/dbraw/zinc/16/20/02/1041162002.db2.gz WGOBFNFNDWOKDD-AWEZNQCLSA-N -1 0 331.416 3.693 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N2CCC(c3ccco3)CC2)C(=O)[O-])cc1 ZINC000899825101 1041169119 /nfs/dbraw/zinc/16/91/19/1041169119.db2.gz HWULYDLUCQKXBC-QGZVFWFLSA-N -1 0 341.407 3.553 20 0 EHADRM Cc1c(NC(=O)CSC(C)C)cc(Br)cc1C(=O)[O-] ZINC000910086446 1041169930 /nfs/dbraw/zinc/16/99/30/1041169930.db2.gz HCKVKMCTLMSPTK-UHFFFAOYSA-N -1 0 346.246 3.536 20 0 EHADRM Cc1cc(F)ccc1[C@H](C)NC(=O)[C@](C)(CC(=O)[O-])c1ccsc1 ZINC000899836711 1041180691 /nfs/dbraw/zinc/18/06/91/1041180691.db2.gz OMSUZSVPYWKCQP-KPZWWZAWSA-N -1 0 349.427 3.805 20 0 EHADRM CC(C)(CC(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])cs1)CC(F)F ZINC000910100923 1041190571 /nfs/dbraw/zinc/19/05/71/1041190571.db2.gz DUFADNLDYNRNTD-SNVBAGLBSA-N -1 0 346.399 3.576 20 0 EHADRM C[C@@H](NC(=O)c1nc2ccccc2c(=O)[nH]1)c1cc2ccccc2s1 ZINC000170962666 1041207113 /nfs/dbraw/zinc/20/71/13/1041207113.db2.gz FVDVJSJFJGFRDN-LLVKDONJSA-N -1 0 349.415 3.629 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)C1=C(C(=O)[O-])CCCC1)C(C)(C)C ZINC000899853706 1041213810 /nfs/dbraw/zinc/21/38/10/1041213810.db2.gz ZAOACBURFCFZSS-INIZCTEOSA-N -1 0 330.428 3.549 20 0 EHADRM CC[C@@](C)(NC(=O)NC[C@@H](C)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000555845367 1041217686 /nfs/dbraw/zinc/21/76/86/1041217686.db2.gz KNMSSQKSRZMQNH-RFAUZJTJSA-N -1 0 347.242 3.649 20 0 EHADRM CCCN(C(=O)Nc1ccc(CC(F)(F)F)cc1)[C@H](CC)C(=O)[O-] ZINC000555851253 1041226075 /nfs/dbraw/zinc/22/60/75/1041226075.db2.gz QRWHMMBUSBWVPI-CYBMUJFWSA-N -1 0 346.349 3.899 20 0 EHADRM COc1cc([C@H](C)NC(=O)C(C)(C)CCC(=O)[O-])cc2ccccc21 ZINC000899854088 1041235070 /nfs/dbraw/zinc/23/50/70/1041235070.db2.gz AYLNKPLAYVIOHR-ZDUSSCGKSA-N -1 0 343.423 3.917 20 0 EHADRM COc1cc([C@@H](C)NC(=O)C[C@@H](C)CC(=O)[O-])cc2ccccc21 ZINC000899855994 1041238322 /nfs/dbraw/zinc/23/83/22/1041238322.db2.gz LWQWTHCIMNMEOU-CHWSQXEVSA-N -1 0 329.396 3.527 20 0 EHADRM C[C@H](Oc1ccc(-c2ccc(NC(=O)C(C)(C)C)nc2)cc1)C(=O)[O-] ZINC000571343916 1041273309 /nfs/dbraw/zinc/27/33/09/1041273309.db2.gz MBMWPFQYZBBYIJ-LBPRGKRZSA-N -1 0 342.395 3.585 20 0 EHADRM O=C([O-])c1cc(NC(=O)Cc2ccc3c(c2)CCC3)ccc1Cl ZINC000319568904 1041342854 /nfs/dbraw/zinc/34/28/54/1041342854.db2.gz GXHDGUBSMNEXGG-UHFFFAOYSA-N -1 0 329.783 3.708 20 0 EHADRM CCCC[C@H](NC(=O)Cc1csc2ccc(Cl)cc12)C(=O)[O-] ZINC000431988586 1041449852 /nfs/dbraw/zinc/44/98/52/1041449852.db2.gz XSLPSHZYNNWWLW-ZDUSSCGKSA-N -1 0 339.844 3.857 20 0 EHADRM Cc1cc(N(C)c2cc(Br)ccc2N)ccc1C(=O)[O-] ZINC001211658321 1041502783 /nfs/dbraw/zinc/50/27/83/1041502783.db2.gz KNMHLSAGMURENG-UHFFFAOYSA-N -1 0 335.201 3.806 20 0 EHADRM CC1(C)CN(C(=O)CCc2ccccc2C(=O)[O-])c2cc(F)ccc21 ZINC000652091345 1041590756 /nfs/dbraw/zinc/59/07/56/1041590756.db2.gz FNLBFNVWQGJFNI-UHFFFAOYSA-N -1 0 341.382 3.781 20 0 EHADRM C[C@@H](NC(=O)C1(C(=O)[O-])CC1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000432105112 1041599664 /nfs/dbraw/zinc/59/96/64/1041599664.db2.gz CRZYUXFDQFTNFL-GFCCVEGCSA-N -1 0 327.355 3.535 20 0 EHADRM C[C@@]1(NC(=O)Cc2cc(Cl)ccc2Cl)CCCC[C@@H]1C(=O)[O-] ZINC000432116877 1041612749 /nfs/dbraw/zinc/61/27/49/1041612749.db2.gz NIQYDPGBOBFLAU-MLGOLLRUSA-N -1 0 344.238 3.686 20 0 EHADRM C[C@@H]1CCC[C@H](CC(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)C1 ZINC000432120653 1041619755 /nfs/dbraw/zinc/61/97/55/1041619755.db2.gz BBFJAZFYNRDGCP-NJAFHUGGSA-N -1 0 331.456 3.795 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)s1 ZINC000432185878 1041705365 /nfs/dbraw/zinc/70/53/65/1041705365.db2.gz JARNASXWWOZEAN-UHFFFAOYSA-N -1 0 334.422 3.876 20 0 EHADRM CC(C)c1cc(C(=O)NCCCCCCC(=O)[O-])nn1C(C)(C)C ZINC000236713337 1041872035 /nfs/dbraw/zinc/87/20/35/1041872035.db2.gz DBAPLQRXPBGRLZ-UHFFFAOYSA-N -1 0 337.464 3.526 20 0 EHADRM C[C@H](C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccc(Cl)cc1 ZINC000653326856 1042047500 /nfs/dbraw/zinc/04/75/00/1042047500.db2.gz MCKLRPDZFNAWLP-MZPVMMEZSA-N -1 0 343.810 3.873 20 0 EHADRM CCCCCC[C@](C)(NC(=O)C[C@@H]1OCCc2ccccc21)C(=O)[O-] ZINC000236721991 1042076584 /nfs/dbraw/zinc/07/65/84/1042076584.db2.gz QMJTXLCLPFROPW-PXNSSMCTSA-N -1 0 347.455 3.620 20 0 EHADRM CC(C)CCc1nnc([N-]C(=O)c2cc(-c3ccco3)on2)s1 ZINC000617097995 1042105810 /nfs/dbraw/zinc/10/58/10/1042105810.db2.gz LGQYZDXCMAJFFN-UHFFFAOYSA-N -1 0 332.385 3.627 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)Nc1ccc(F)cc1F ZINC000323876570 1042332954 /nfs/dbraw/zinc/33/29/54/1042332954.db2.gz FOFFQDOMWZFJRR-AWEZNQCLSA-N -1 0 326.343 3.510 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2cccc(Oc3ccccc3)c2)CCC1 ZINC000326963351 1042332984 /nfs/dbraw/zinc/33/29/84/1042332984.db2.gz NIULESPESBOMFJ-UHFFFAOYSA-N -1 0 340.379 3.855 20 0 EHADRM C[C@@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1nc2ccccc2[nH]1 ZINC000184257049 1042367366 /nfs/dbraw/zinc/36/73/66/1042367366.db2.gz HPBYIEDVCRMXBS-MRVPVSSYSA-N -1 0 333.750 3.552 20 0 EHADRM Cc1cc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)nn1-c1cccc(Cl)c1 ZINC000663044825 1042389438 /nfs/dbraw/zinc/38/94/38/1042389438.db2.gz CEJNYANAOIOWGA-CQSZACIVSA-N -1 0 349.818 3.520 20 0 EHADRM CC(C)n1ncc2ccc(NC(=O)C3(C(=O)[O-])CCCCCC3)cc21 ZINC000663096073 1042444692 /nfs/dbraw/zinc/44/46/92/1042444692.db2.gz DXZOBTMGXFOPCF-UHFFFAOYSA-N -1 0 343.427 3.981 20 0 EHADRM O=C([O-])c1ccc(CN2CC[C@H](Oc3ccccc3Cl)C2)c(F)c1 ZINC000652435306 1042475840 /nfs/dbraw/zinc/47/58/40/1042475840.db2.gz ZXMBHTFVEFTOJJ-AWEZNQCLSA-N -1 0 349.789 3.831 20 0 EHADRM O=S(=O)(N[C@H]1CCc2cc(F)ccc21)c1ccc(Cl)cc1F ZINC000511961701 1042488217 /nfs/dbraw/zinc/48/82/17/1042488217.db2.gz UCWVGRYTZSJEKF-AWEZNQCLSA-N -1 0 343.782 3.584 20 0 EHADRM Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)cc(C)c1F ZINC000659189522 1042545320 /nfs/dbraw/zinc/54/53/20/1042545320.db2.gz GPBANBOVRQDWJN-OWCLPIDISA-N -1 0 333.403 3.548 20 0 EHADRM COC[C@H](C)Oc1ccc(/C=C\c2nc(C(=O)[O-])c(C)s2)cc1 ZINC000663227403 1042574446 /nfs/dbraw/zinc/57/44/46/1042574446.db2.gz MWMXGHAKHGIQMD-WDDYJBPVSA-N -1 0 333.409 3.734 20 0 EHADRM CCc1nc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cn1CC1CC1 ZINC000663252058 1042594399 /nfs/dbraw/zinc/59/43/99/1042594399.db2.gz XRTBFBRDCYRXRJ-UHFFFAOYSA-N -1 0 347.484 3.582 20 0 EHADRM COC[C@@H](C)Oc1ccc(CNc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000663259971 1042609023 /nfs/dbraw/zinc/60/90/23/1042609023.db2.gz KZBGNQPPYIPQCD-GFCCVEGCSA-N -1 0 333.359 3.550 20 0 EHADRM COC[C@H](C)Oc1ccc(CNc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000663259972 1042609502 /nfs/dbraw/zinc/60/95/02/1042609502.db2.gz KZBGNQPPYIPQCD-LBPRGKRZSA-N -1 0 333.359 3.550 20 0 EHADRM FC(F)(F)c1n[n-]c(=S)n1N=Cc1c(Cl)cccc1Cl ZINC000254771757 1042623606 /nfs/dbraw/zinc/62/36/06/1042623606.db2.gz OZAOXBQZRWWBHC-UHFFFAOYSA-N -1 0 341.145 3.775 20 0 EHADRM CCN1C(=O)CCc2cc(NC(=O)c3ccc(Cl)cc3[O-])ccc21 ZINC000185811906 1042641677 /nfs/dbraw/zinc/64/16/77/1042641677.db2.gz QYTOANXJTMXEJQ-UHFFFAOYSA-N -1 0 344.798 3.597 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[N@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000062876049 1042682205 /nfs/dbraw/zinc/68/22/05/1042682205.db2.gz LULRWKXPWAKAPL-OAHLLOKOSA-N -1 0 332.227 3.559 20 0 EHADRM O=C(Nc1ccn(-c2ccccc2Cl)n1)c1cc(F)c([O-])c(F)c1 ZINC000186878389 1042720052 /nfs/dbraw/zinc/72/00/52/1042720052.db2.gz VPUPIUBYOOXADD-UHFFFAOYSA-N -1 0 349.724 3.762 20 0 EHADRM CC[C@H](Cc1ccccc1Br)N=c1[n-]nc(C(F)F)o1 ZINC000432320841 1042870822 /nfs/dbraw/zinc/87/08/22/1042870822.db2.gz BNWJVYCFPBUVIS-SECBINFHSA-N -1 0 346.175 3.625 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N=c1cc(C)c(C)n[n-]1 ZINC000604233694 1042890616 /nfs/dbraw/zinc/89/06/16/1042890616.db2.gz GKSXUILONVWELX-UHFFFAOYSA-N -1 0 331.375 3.975 20 0 EHADRM C[C@@H](CC(=O)[O-])c1ccc(NC(=O)N(C)Cc2ccccc2)cc1 ZINC000303591737 1042938438 /nfs/dbraw/zinc/93/84/38/1042938438.db2.gz CSCFSCMWCFHRRC-AWEZNQCLSA-N -1 0 326.396 3.929 20 0 EHADRM Cc1ccc2cc(Cl)cc(C(=O)N3C[C@@H](C(=O)[O-])CC[C@H]3C)c2n1 ZINC000647742583 1042948137 /nfs/dbraw/zinc/94/81/37/1042948137.db2.gz BJGJWKXHNPYYTC-YPMHNXCESA-N -1 0 346.814 3.522 20 0 EHADRM Cc1ccc(CCCC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000653332816 1042981558 /nfs/dbraw/zinc/98/15/58/1042981558.db2.gz IKYMLOHDKJNUCN-OALUTQOASA-N -1 0 337.419 3.747 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)c2cccnc12 ZINC000316596329 1043025997 /nfs/dbraw/zinc/02/59/97/1043025997.db2.gz JMPNZPOWOGJXAP-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000585810308 1043086329 /nfs/dbraw/zinc/08/63/29/1043086329.db2.gz MRNKFTJVRGNPCB-ROUUACIJSA-N -1 0 349.386 3.523 20 0 EHADRM C[C@H](CCNC(=O)N(C)C1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC000326555151 1043437068 /nfs/dbraw/zinc/43/70/68/1043437068.db2.gz AIZOZCZRZNNYEF-OAHLLOKOSA-N -1 0 332.444 3.609 20 0 EHADRM Cc1ccc(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)cc1O ZINC001211702130 1043600685 /nfs/dbraw/zinc/60/06/85/1043600685.db2.gz YBSGQGIDOURUIU-UHFFFAOYSA-N -1 0 329.377 3.844 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)Nc1cc(Cl)ccc1Cl ZINC000319824043 1043610114 /nfs/dbraw/zinc/61/01/14/1043610114.db2.gz YPPNLOBJSDBNJH-PLMOITTCSA-N -1 0 343.210 3.710 20 0 EHADRM CCCCCC(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000236833750 1043611883 /nfs/dbraw/zinc/61/18/83/1043611883.db2.gz RYEQPHSEHRZSRP-CYBMUJFWSA-N -1 0 342.233 3.661 20 0 EHADRM COc1cccc(Oc2ccc(NC(=O)[C@@H]3CC[C@@H]3C(=O)[O-])cc2)c1 ZINC000262118867 1043710980 /nfs/dbraw/zinc/71/09/80/1043710980.db2.gz NERWBQOMGMTGBD-SJORKVTESA-N -1 0 341.363 3.537 20 0 EHADRM CCOC(=O)c1csc(/C(C#N)=C\c2ccc([O-])c(Cl)c2)n1 ZINC000067006445 1043773243 /nfs/dbraw/zinc/77/32/43/1043773243.db2.gz QTRPHVLFORIXAQ-YHYXMXQVSA-N -1 0 334.784 3.743 20 0 EHADRM CC(=O)Nc1ccc(C)c(NC(=O)c2cc(F)c([O-])c(Cl)c2)c1 ZINC000187269314 1043919747 /nfs/dbraw/zinc/91/97/47/1043919747.db2.gz LTBRJJVPZWMAOG-UHFFFAOYSA-N -1 0 336.750 3.704 20 0 EHADRM O=C(c1ccc2ccccc2c1O)N1CCO[C@H](c2ccsc2)C1 ZINC000163390190 1043940034 /nfs/dbraw/zinc/94/00/34/1043940034.db2.gz BFRHFWBUHGPOPV-KRWDZBQOSA-N -1 0 339.416 3.821 20 0 EHADRM O=S(=O)(CCCCF)[N-][C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000344527001 1044102530 /nfs/dbraw/zinc/10/25/30/1044102530.db2.gz KDJJTGHDUJWWFE-LLVKDONJSA-N -1 0 347.761 3.613 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)c1cc(=O)c3ccccc3[nH]1)CCC2 ZINC000344689113 1044279894 /nfs/dbraw/zinc/27/98/94/1044279894.db2.gz DDPUONIJPMXQFY-SFHVURJKSA-N -1 0 332.403 3.644 20 0 EHADRM CC(C)C[C@H](CNC(=O)CCCc1c[nH]c2ccccc12)CC(=O)[O-] ZINC000327287086 1044293711 /nfs/dbraw/zinc/29/37/11/1044293711.db2.gz XCKTZMAAQRCXBS-HNNXBMFYSA-N -1 0 344.455 3.744 20 0 EHADRM CSc1cccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cn2)c1 ZINC000337788647 1044453423 /nfs/dbraw/zinc/45/34/23/1044453423.db2.gz ZIJVSIPOLVVGLG-UHFFFAOYSA-N -1 0 348.371 3.623 20 0 EHADRM CCC(=O)c1cccc([N-]S(=O)(=O)c2cnc3ccccc3c2)c1 ZINC000337870474 1044505587 /nfs/dbraw/zinc/50/55/87/1044505587.db2.gz QRMJHEZNZLCZOC-UHFFFAOYSA-N -1 0 340.404 3.628 20 0 EHADRM O=C(CCCc1ccc(O)c(F)c1)N[C@H]1CCOc2c(F)cccc21 ZINC000344870891 1044568496 /nfs/dbraw/zinc/56/84/96/1044568496.db2.gz TYQFWSHXVLOHDC-INIZCTEOSA-N -1 0 347.361 3.633 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N2CC3(CCC3)[C@H]2C(C)C)s1 ZINC000432642874 1044571812 /nfs/dbraw/zinc/57/18/12/1044571812.db2.gz NWVUWMCQFIBMSF-CYBMUJFWSA-N -1 0 336.505 3.906 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)sc1Cl ZINC000432644473 1044573464 /nfs/dbraw/zinc/57/34/64/1044573464.db2.gz RTCCREMYJCMHAO-UHFFFAOYSA-N -1 0 326.830 3.992 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nc3ccsc3s2)c(C)s1 ZINC000344983658 1044771668 /nfs/dbraw/zinc/77/16/68/1044771668.db2.gz SGKQBBJGKDJDHT-UHFFFAOYSA-N -1 0 330.481 3.837 20 0 EHADRM CC[C@H]1Cc2ccccc2CN1C(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000345015257 1044818648 /nfs/dbraw/zinc/81/86/48/1044818648.db2.gz OPFOPTNLCQSPFZ-INIZCTEOSA-N -1 0 332.403 3.505 20 0 EHADRM CCS[C@@H]1CCC[C@H]1Nc1ncnc2sc(C(=O)[O-])c(C)c21 ZINC000318790431 1044871920 /nfs/dbraw/zinc/87/19/20/1044871920.db2.gz FUFHUCPMQVFENI-NXEZZACHSA-N -1 0 337.470 3.784 20 0 EHADRM COc1cccc(C2(NC(=O)c3ccc([O-])c(Cl)c3)CCC2)c1 ZINC000620349566 1125560644 /nfs/dbraw/zinc/56/06/44/1125560644.db2.gz UHECADBIMWGBRL-UHFFFAOYSA-N -1 0 331.799 3.863 20 0 EHADRM O=S(=O)([N-]c1cccc2ncccc12)c1c(F)cccc1Cl ZINC000153541199 1125628066 /nfs/dbraw/zinc/62/80/66/1125628066.db2.gz JVCWKOOMSHAUSY-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2nnc(-c3ccco3)o2)cc1 ZINC000153782832 1125659365 /nfs/dbraw/zinc/65/93/65/1125659365.db2.gz YOOXJLLQNKVEHG-NSHDSACASA-N -1 0 347.396 3.644 20 0 EHADRM CCOc1cccnc1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000154724187 1125751968 /nfs/dbraw/zinc/75/19/68/1125751968.db2.gz PGXYCAGFKQITJV-UHFFFAOYSA-N -1 0 327.167 3.745 20 0 EHADRM CC(C)(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000734416913 1131233563 /nfs/dbraw/zinc/23/35/63/1131233563.db2.gz XMUABKTWJRRCTK-UHFFFAOYSA-N -1 0 340.832 3.713 20 0 EHADRM O=C([O-])[C@H](Cc1ccccc1)NCc1nc(C2CCCCC2)cs1 ZINC001601660964 1126224893 /nfs/dbraw/zinc/22/48/93/1126224893.db2.gz ZGEFZVSFPIENJY-INIZCTEOSA-N -1 0 344.480 3.976 20 0 EHADRM C[C@H](Cc1c[nH]cn1)C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000622481203 1126706143 /nfs/dbraw/zinc/70/61/43/1126706143.db2.gz KAOKNTZJWJJRLX-ZCFIWIBFSA-N -1 0 348.617 3.893 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2ccnn2[C@@H](C)C2CC2)cc1 ZINC000171342594 1126762799 /nfs/dbraw/zinc/76/27/99/1126762799.db2.gz FCHJUHWGVQSSHL-ZDUSSCGKSA-N -1 0 333.457 3.607 20 0 EHADRM COc1cccc(CO[C@H](C)C(=O)Nc2cccc(Cl)c2[O-])c1 ZINC000172112201 1126780937 /nfs/dbraw/zinc/78/09/37/1126780937.db2.gz QJACEAWUEXNUCB-LLVKDONJSA-N -1 0 335.787 3.598 20 0 EHADRM CCOc1ccc(NC(=O)CC2(C(=O)[O-])CCCC2)cc1Cl ZINC000336851685 1126811805 /nfs/dbraw/zinc/81/18/05/1126811805.db2.gz ZUAVPLQHYIIDTQ-UHFFFAOYSA-N -1 0 325.792 3.712 20 0 EHADRM CC(F)(F)CCC(=O)N=c1ccc(-c2ccc(Cl)s2)n[n-]1 ZINC000622929317 1126834875 /nfs/dbraw/zinc/83/48/75/1126834875.db2.gz LWFPTLJRJCPDQZ-UHFFFAOYSA-N -1 0 331.775 3.654 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)c1cc(F)c(Cl)cc1Cl ZINC000164615545 1126852274 /nfs/dbraw/zinc/85/22/74/1126852274.db2.gz GQPMJRLJKIZZMY-BXUZGUMPSA-N -1 0 334.174 3.506 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cc(F)ccc2OCC2CC2)cc1 ZINC000192985111 1126949797 /nfs/dbraw/zinc/94/97/97/1126949797.db2.gz IDHXBBQEFCYZIA-UHFFFAOYSA-N -1 0 329.327 3.565 20 0 EHADRM C[C@@H]1CCCC[C@H]1OCC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000073086992 1126998955 /nfs/dbraw/zinc/99/89/55/1126998955.db2.gz IFIQBARNJFCYEQ-BXUZGUMPSA-N -1 0 345.848 3.581 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1nn(C(C)C)cc1Cl ZINC000901714494 1127007029 /nfs/dbraw/zinc/00/70/29/1127007029.db2.gz POQGKEOMUBGOQU-UHFFFAOYSA-N -1 0 345.877 3.640 20 0 EHADRM O=S(=O)([N-]c1ccc2ncccc2c1)c1cccc2cccnc21 ZINC000179385838 1127061645 /nfs/dbraw/zinc/06/16/45/1127061645.db2.gz BQHRELLKODERLU-UHFFFAOYSA-N -1 0 335.388 3.584 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cccc3ncccc23)c1Cl ZINC000181142314 1127267802 /nfs/dbraw/zinc/26/78/02/1127267802.db2.gz GTIOMJVNAQCKSB-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)c(F)c1 ZINC000369035835 1127419815 /nfs/dbraw/zinc/41/98/15/1127419815.db2.gz JDQORILXPGYFBB-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM O=C(Nc1ccc(Br)cc1O)C1(c2ccccc2)CC1 ZINC000126012292 1127549649 /nfs/dbraw/zinc/54/96/49/1127549649.db2.gz PQRZBPLZTSENJT-UHFFFAOYSA-N -1 0 332.197 3.825 20 0 EHADRM O=C([O-])C1(CNC(=O)/C=C\c2ccc(Cl)s2)CCCCC1 ZINC000384614476 1127582300 /nfs/dbraw/zinc/58/23/00/1127582300.db2.gz FDNHOPMKXLAATA-ALCCZGGFSA-N -1 0 327.833 3.566 20 0 EHADRM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)NCCCCCC(=O)[O-] ZINC000385304367 1127600580 /nfs/dbraw/zinc/60/05/80/1127600580.db2.gz PVRIYSOUAPQQSC-OAHLLOKOSA-N -1 0 332.444 3.642 20 0 EHADRM O=C(OCc1nc(Cl)ccc1Cl)c1c(F)cc([O-])cc1F ZINC000765478991 1127616764 /nfs/dbraw/zinc/61/67/64/1127616764.db2.gz KMIAIFWPYKVDGN-UHFFFAOYSA-N -1 0 334.105 3.729 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc3n(n2)CCCC3)cc1 ZINC000671663139 1127773301 /nfs/dbraw/zinc/77/33/01/1127773301.db2.gz LSDQTVWUZRWHBS-CYBMUJFWSA-N -1 0 333.457 3.534 20 0 EHADRM COc1cccc(S(=O)(=O)[N-]c2ccc3c(Cl)cccc3n2)c1 ZINC000671669352 1127800063 /nfs/dbraw/zinc/80/00/63/1127800063.db2.gz ICPRJSJHWFQYFY-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc([O-])c(Cl)c1 ZINC000029795168 1127808230 /nfs/dbraw/zinc/80/82/30/1127808230.db2.gz ARBXEOGCSAVZRH-UHFFFAOYSA-N -1 0 345.704 3.874 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cn1 ZINC000472781380 1128006019 /nfs/dbraw/zinc/00/60/19/1128006019.db2.gz BRECZXUIRQFTJP-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cnc(C(C)(C)C)nc1 ZINC000063850017 1128158917 /nfs/dbraw/zinc/15/89/17/1128158917.db2.gz DGYPFPFMUALBOA-UHFFFAOYSA-N -1 0 339.848 3.537 20 0 EHADRM Cc1ncc(-c2ccc(NC(=O)c3cc(=O)c4ccccc4[n-]3)cc2)o1 ZINC000064802857 1128177408 /nfs/dbraw/zinc/17/74/08/1128177408.db2.gz MCBPPYOYYKBZHO-UHFFFAOYSA-N -1 0 345.358 3.744 20 0 EHADRM CC(C)[C@@H](SCc1ccccc1)C(=O)[N-]S(=O)(=O)CC1CC1 ZINC000073537973 1128395644 /nfs/dbraw/zinc/39/56/44/1128395644.db2.gz BCYZYBPXGZWYCB-OAHLLOKOSA-N -1 0 341.498 3.641 20 0 EHADRM CC(C)[C@@H]1C[C@H](N=c2[n-]c(C3CCOCC3)no2)c2ccccc21 ZINC000624612015 1128406231 /nfs/dbraw/zinc/40/62/31/1128406231.db2.gz ISXZNSOENCKDDY-IRXDYDNUSA-N -1 0 327.428 3.682 20 0 EHADRM Clc1ccc2[nH]c3c(c2c1)CCC[C@H]3N=c1[n-]nc(C2CC2)o1 ZINC000624674717 1128425098 /nfs/dbraw/zinc/42/50/98/1128425098.db2.gz HFYFMDXPURRAQJ-CQSZACIVSA-N -1 0 328.803 3.993 20 0 EHADRM CCCOc1ccc([N-]S(=O)(=O)c2ccccc2OC)c(C)c1 ZINC000055687799 1128527463 /nfs/dbraw/zinc/52/74/63/1128527463.db2.gz BDMWHPMIWADCLQ-UHFFFAOYSA-N -1 0 335.425 3.593 20 0 EHADRM Cc1onc(OC(F)F)c1[N-]C(=O)c1cc2cc(F)ccc2o1 ZINC001128098806 1128552415 /nfs/dbraw/zinc/55/24/15/1128552415.db2.gz OTJZBPFQLOSNCQ-UHFFFAOYSA-N -1 0 326.230 3.722 20 0 EHADRM CC(C)Cc1ccc(CC(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1 ZINC000542782433 1128610246 /nfs/dbraw/zinc/61/02/46/1128610246.db2.gz YIKKCCKNCLIODA-UHFFFAOYSA-N -1 0 341.407 3.530 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(C)c(C)c2)n(-c2ccccc2)n1 ZINC000057734532 1128663059 /nfs/dbraw/zinc/66/30/59/1128663059.db2.gz HVXCXMBOBHFNAV-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM Cc1nc(-c2ccc([N-]S(=O)(=O)c3cccs3)cc2)oc1C ZINC000060554351 1128737315 /nfs/dbraw/zinc/73/73/15/1128737315.db2.gz HHKAOOMXHCZGOM-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM Fc1ccccc1[C@H]1CC[C@@H](N=c2[n-]nc(C3CCOCC3)s2)C1 ZINC000338716319 1128742707 /nfs/dbraw/zinc/74/27/07/1128742707.db2.gz KLUWAOODOUHIAF-UONOGXRCSA-N -1 0 347.459 3.741 20 0 EHADRM Cc1ccc2c(c1)[C@@H](N=c1[n-]nc(C3CCOCC3)s1)CCC2 ZINC000338725369 1128765578 /nfs/dbraw/zinc/76/55/78/1128765578.db2.gz KJJGANABUMYNRC-INIZCTEOSA-N -1 0 329.469 3.652 20 0 EHADRM CSCCc1ccc([N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000075435195 1128860738 /nfs/dbraw/zinc/86/07/38/1128860738.db2.gz GSQIQUJNNJDCFB-UHFFFAOYSA-N -1 0 325.430 3.532 20 0 EHADRM COc1ccccc1[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000499494451 1128868632 /nfs/dbraw/zinc/86/86/32/1128868632.db2.gz LSPNUCVOJALRQN-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM COc1ccccc1[C@@H](C)N(C)c1nc[n-]c2nc(=S)sc1-2 ZINC001167110663 1120033966 /nfs/dbraw/zinc/03/39/66/1120033966.db2.gz ZHUVSBYHIXBVRG-SECBINFHSA-N -1 0 332.454 3.581 20 0 EHADRM Cc1ccc(C(=O)Nc2nc(-c3cccnc3Cl)ns2)c(O)c1 ZINC001648868755 1120058790 /nfs/dbraw/zinc/05/87/90/1120058790.db2.gz AHFLTAXSXWJFHT-UHFFFAOYSA-N -1 0 346.799 3.520 20 0 EHADRM O=C([O-])c1cc(Br)cc(NC[C@H]2Cc3ccccc3O2)c1 ZINC000227669423 1120160804 /nfs/dbraw/zinc/16/08/04/1120160804.db2.gz TUNYBIINESLBKX-CQSZACIVSA-N -1 0 348.196 3.563 20 0 EHADRM CC[C@H](NCc1ccc(F)c(Cl)c1Cl)c1nc(C(=O)[O-])c[nH]1 ZINC000904065468 1120351670 /nfs/dbraw/zinc/35/16/70/1120351670.db2.gz RQVFRBZBDPCUCR-VIFPVBQESA-N -1 0 346.189 3.795 20 0 EHADRM COc1cccc(Cl)c1CC(=O)Nc1cccc(Cl)c1[O-] ZINC000184907277 1120392289 /nfs/dbraw/zinc/39/22/89/1120392289.db2.gz XQTHKTQNGYOFKR-UHFFFAOYSA-N -1 0 326.179 3.889 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)cc1 ZINC000185179623 1120403180 /nfs/dbraw/zinc/40/31/80/1120403180.db2.gz YHKNHDXGRFSDAQ-UHFFFAOYSA-N -1 0 336.413 3.830 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc(Br)cc2)CCCCC1 ZINC000013249786 1128917237 /nfs/dbraw/zinc/91/72/37/1128917237.db2.gz SHKQWOUPQLUBOF-UHFFFAOYSA-N -1 0 340.217 3.813 20 0 EHADRM COc1cccc(CC(=O)Nc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000220318814 1120475182 /nfs/dbraw/zinc/47/51/82/1120475182.db2.gz PVKMGCWYOXNFKK-UHFFFAOYSA-N -1 0 326.179 3.889 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2c(C)cccc2F)cc1Cl ZINC000187044957 1120484589 /nfs/dbraw/zinc/48/45/89/1120484589.db2.gz USYFSKYWWFCSIS-UHFFFAOYSA-N -1 0 341.791 3.791 20 0 EHADRM COc1cc(C)c([N-]S(=O)(=O)c2c(F)cccc2Cl)cc1F ZINC000187067224 1120485750 /nfs/dbraw/zinc/48/57/50/1120485750.db2.gz CMLBDATXICQNLD-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM C[C@@H](CCCC(F)(F)F)NC(=O)N=c1[n-]nc(C(C)(C)C)s1 ZINC000494575562 1120600259 /nfs/dbraw/zinc/60/02/59/1120600259.db2.gz SGVRGIJHVWMLHI-QMMMGPOBSA-N -1 0 338.399 3.500 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000064409958 1128929187 /nfs/dbraw/zinc/92/91/87/1128929187.db2.gz HGOYJOLULLXKSF-DLBZAZTESA-N -1 0 331.412 3.717 20 0 EHADRM CCOc1ccccc1-c1cccc(C(=O)NC(C)(C)CC(=O)[O-])c1 ZINC000761634710 1120655228 /nfs/dbraw/zinc/65/52/28/1120655228.db2.gz FDCRHLHVLZLSFP-UHFFFAOYSA-N -1 0 341.407 3.735 20 0 EHADRM O=C([O-])c1cc(/C=C/c2cocn2)nc2cc(Br)ccc21 ZINC000191274869 1120666841 /nfs/dbraw/zinc/66/68/41/1120666841.db2.gz NBLCKKFEXOCMRR-NSCUHMNNSA-N -1 0 345.152 3.854 20 0 EHADRM Cc1ncc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)s1 ZINC000443460994 1120683642 /nfs/dbraw/zinc/68/36/42/1120683642.db2.gz NFXJOUNLQMQVDS-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)F)c(C)c1 ZINC000195437863 1120784457 /nfs/dbraw/zinc/78/44/57/1120784457.db2.gz NVQIVAKXGPJLRN-UHFFFAOYSA-N -1 0 327.352 3.706 20 0 EHADRM COc1c(C)ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1C ZINC000193705121 1120793342 /nfs/dbraw/zinc/79/33/42/1120793342.db2.gz NAEGXBGGRJLORK-UHFFFAOYSA-N -1 0 345.342 3.530 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000310479531 1128945317 /nfs/dbraw/zinc/94/53/17/1128945317.db2.gz NLWJEVSQLCPAPA-QGZVFWFLSA-N -1 0 339.435 3.759 20 0 EHADRM CCN(C(=O)c1ncc(C)cc1[O-])c1ccc(Br)cc1 ZINC000495024300 1120932111 /nfs/dbraw/zinc/93/21/11/1120932111.db2.gz CYEJKZPKGVOQEO-UHFFFAOYSA-N -1 0 335.201 3.525 20 0 EHADRM O=C(COc1ccc(F)cc1Cl)Nc1cccc(Cl)c1[O-] ZINC000077012923 1128975015 /nfs/dbraw/zinc/97/50/15/1128975015.db2.gz XTFQDRHKNBVTCD-UHFFFAOYSA-N -1 0 330.142 3.856 20 0 EHADRM Cc1nn(-c2ccccc2)cc1C(=O)Nc1cccc(Cl)c1[O-] ZINC000077011203 1128974188 /nfs/dbraw/zinc/97/41/88/1128974188.db2.gz FAVZJPLBGTXFHN-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM CCOCCOc1ccccc1C(=O)Nc1cccc(Cl)c1[O-] ZINC000077013109 1128974722 /nfs/dbraw/zinc/97/47/22/1128974722.db2.gz FTMKKAOQLRNSDB-UHFFFAOYSA-N -1 0 335.787 3.713 20 0 EHADRM C[C@@H](OC(=O)c1ccc([O-])c(Cl)c1)C(=O)c1cc(F)ccc1F ZINC000762824166 1121449127 /nfs/dbraw/zinc/44/91/27/1121449127.db2.gz QONDVDBRCMLGGC-MRVPVSSYSA-N -1 0 340.709 3.752 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)CC(c1ccccc1)c1ccccc1 ZINC000237027998 1121471986 /nfs/dbraw/zinc/47/19/86/1121471986.db2.gz ZZQCQMFFXFACRQ-MRXNPFEDSA-N -1 0 339.435 3.920 20 0 EHADRM Cc1ccc(CCC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c(C)c1 ZINC000237501977 1121486322 /nfs/dbraw/zinc/48/63/22/1121486322.db2.gz NPTJHIIVZHUKAQ-OXJNMPFZSA-N -1 0 339.435 3.814 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccccc1 ZINC000237681338 1121491700 /nfs/dbraw/zinc/49/17/00/1121491700.db2.gz KFWTYFBEGDCFIF-AUUYWEPGSA-N -1 0 337.419 3.757 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc3c(c2)CCCO3)CCCCCC1 ZINC000237919228 1121498322 /nfs/dbraw/zinc/49/83/22/1121498322.db2.gz HFSKAJVBWHKYLD-UHFFFAOYSA-N -1 0 331.412 3.765 20 0 EHADRM CN1CC[C@H](C(=O)Nc2cc(Cl)c([O-])cc2F)c2ccccc21 ZINC000672486674 1128992891 /nfs/dbraw/zinc/99/28/91/1128992891.db2.gz RGQZFJRBTZCJQZ-NSHDSACASA-N -1 0 334.778 3.747 20 0 EHADRM O=C(C[C@@H]1OCCc2ccccc21)Nc1ccc2[n-]c(=S)oc2c1 ZINC000762985659 1121639662 /nfs/dbraw/zinc/63/96/62/1121639662.db2.gz UJZHLCMIKWOAHB-HNNXBMFYSA-N -1 0 340.404 3.759 20 0 EHADRM CCc1cc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)ccc1C ZINC000326243579 1121874948 /nfs/dbraw/zinc/87/49/48/1121874948.db2.gz MGSHBVDGLNCNBR-FQEVSTJZSA-N -1 0 325.408 3.929 20 0 EHADRM CC(C)c1ccc(NC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cc1 ZINC000326373110 1121928376 /nfs/dbraw/zinc/92/83/76/1121928376.db2.gz GJSHLIQNFAKDMY-SFHVURJKSA-N -1 0 338.407 3.853 20 0 EHADRM O=C(OCc1nc(-c2cccs2)no1)c1ccc([O-])c(Cl)c1 ZINC000916506198 1122175275 /nfs/dbraw/zinc/17/52/75/1122175275.db2.gz CWSHLDCLCAGCAW-UHFFFAOYSA-N -1 0 336.756 3.514 20 0 EHADRM O=C([O-])CCCNC(=O)C1(c2ccc(Cl)cc2Cl)CCCC1 ZINC000630098405 1122231950 /nfs/dbraw/zinc/23/19/50/1122231950.db2.gz CMPKQPGNGUUERO-UHFFFAOYSA-N -1 0 344.238 3.786 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)C[C@@H](C)CC(C)(C)C)c1 ZINC000916652384 1122243603 /nfs/dbraw/zinc/24/36/03/1122243603.db2.gz KINQQJGQOLGZDF-CYBMUJFWSA-N -1 0 325.474 3.571 20 0 EHADRM COc1ccc(O)c([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000125720238 1122327537 /nfs/dbraw/zinc/32/75/37/1122327537.db2.gz MJCXWQCHZXQXQF-UHFFFAOYSA-N -1 0 348.207 3.508 20 0 EHADRM O=C(CCC1CCCCC1)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000916814946 1122359132 /nfs/dbraw/zinc/35/91/32/1122359132.db2.gz GVDBHSTZXVQNMX-UHFFFAOYSA-N -1 0 349.496 3.731 20 0 EHADRM c1ccc(-c2nc(SCc3nnn[n-]3)oc2-c2ccccc2)cc1 ZINC000497198662 1122369364 /nfs/dbraw/zinc/36/93/64/1122369364.db2.gz MDXVFDUMGNPUHN-UHFFFAOYSA-N -1 0 335.392 3.814 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2CCC(CCc3ccccc3)CC2)CC1 ZINC000262681903 1122712860 /nfs/dbraw/zinc/71/28/60/1122712860.db2.gz AXESQTYEKMORDU-WGSAOQKQSA-N -1 0 343.467 3.749 20 0 EHADRM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(C)ccc1Cl ZINC000498032307 1122737968 /nfs/dbraw/zinc/73/79/68/1122737968.db2.gz DJKGTZXTNIHSMP-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM C[C@H](C(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-])c1cc2ccccc2o1 ZINC000262725383 1122791391 /nfs/dbraw/zinc/79/13/91/1122791391.db2.gz GHUWISMICXOEGV-BBEJJTJUSA-N -1 0 329.396 3.686 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ccnc(-n2ccnc2)c1 ZINC000154697546 1122791602 /nfs/dbraw/zinc/79/16/02/1122791602.db2.gz ZKANGKWUZGJBID-UHFFFAOYSA-N -1 0 349.177 3.532 20 0 EHADRM O=C(Cc1ccc(Br)c(F)c1)Nc1cccc(O)c1F ZINC000129777967 1122846807 /nfs/dbraw/zinc/84/68/07/1122846807.db2.gz TZLUVUWGKJRBEL-UHFFFAOYSA-N -1 0 342.139 3.614 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CC[C@@H](C)C(C)(C)C1)C(=O)[O-] ZINC000262758098 1122847814 /nfs/dbraw/zinc/84/78/14/1122847814.db2.gz KLOMZMSBCVOMSS-OLZOCXBDSA-N -1 0 335.469 3.760 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nc(C(C)(C)C)co2)c(Cl)cc1F ZINC000556175872 1122859996 /nfs/dbraw/zinc/85/99/96/1122859996.db2.gz DKLYFGXTEUJFRB-UHFFFAOYSA-N -1 0 346.811 3.874 20 0 EHADRM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C)ccc1Cl ZINC000230215537 1122882687 /nfs/dbraw/zinc/88/26/87/1122882687.db2.gz WXQXZMYRQLNDOW-UHFFFAOYSA-N -1 0 345.829 3.517 20 0 EHADRM C[C@H]1SCCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)[C@H]1c1ccccc1 ZINC000262874423 1123061104 /nfs/dbraw/zinc/06/11/04/1123061104.db2.gz DKHKOPHSSLNUPD-MWQQHZPXSA-N -1 0 347.480 3.583 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2CCCc3ccccc32)n1 ZINC000498872677 1123094342 /nfs/dbraw/zinc/09/43/42/1123094342.db2.gz AZIJIPVXOKFNFE-UHFFFAOYSA-N -1 0 347.418 3.733 20 0 EHADRM Cc1cnn(C)c1S(=O)(=O)[N-]c1ccc(-c2ccccc2)cc1C ZINC000556793584 1123123192 /nfs/dbraw/zinc/12/31/92/1123123192.db2.gz LTWMVNXYDHAJMD-UHFFFAOYSA-N -1 0 341.436 3.505 20 0 EHADRM C[C@@H](NC(=O)CC1(C(=O)[O-])CCCCCC1)c1cccc(F)c1F ZINC000499034257 1123159699 /nfs/dbraw/zinc/15/96/99/1123159699.db2.gz ZZDZJXJXNLKNTQ-GFCCVEGCSA-N -1 0 339.382 3.957 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000262960927 1123159984 /nfs/dbraw/zinc/15/99/84/1123159984.db2.gz ODOWPSBMOAHAPH-UHFFFAOYSA-N -1 0 345.361 3.945 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000073853431 1123224471 /nfs/dbraw/zinc/22/44/71/1123224471.db2.gz AJJXGMDRQPWOLV-UHFFFAOYSA-N -1 0 333.306 3.954 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)s1 ZINC000920007113 1123261437 /nfs/dbraw/zinc/26/14/37/1123261437.db2.gz BKLLAIVBRXOIGD-LBPRGKRZSA-N -1 0 342.420 3.587 20 0 EHADRM CCCCCC[C@H](C)OC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000920125076 1123300268 /nfs/dbraw/zinc/30/02/68/1123300268.db2.gz VHOOHYXMXDRWQL-LBPRGKRZSA-N -1 0 348.468 3.738 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000074546895 1123312366 /nfs/dbraw/zinc/31/23/66/1123312366.db2.gz AIGVZRJHAYLMGB-GFCCVEGCSA-N -1 0 329.400 3.987 20 0 EHADRM C[C@@H](CC1CCCCC1)C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000074546893 1123312572 /nfs/dbraw/zinc/31/25/72/1123312572.db2.gz AIGVZRJHAYLMGB-LBPRGKRZSA-N -1 0 329.400 3.987 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cnn1CC(C)C ZINC000499266163 1123318907 /nfs/dbraw/zinc/31/89/07/1123318907.db2.gz MXBJGWQDWROYHI-UHFFFAOYSA-N -1 0 335.473 3.574 20 0 EHADRM O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1cc2sccc2s1 ZINC000557086364 1123322921 /nfs/dbraw/zinc/32/29/21/1123322921.db2.gz HGKBWKYESSFAFR-UHFFFAOYSA-N -1 0 342.405 3.706 20 0 EHADRM CC(C)(C)c1ccc(OCC(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000236593150 1123436602 /nfs/dbraw/zinc/43/66/02/1123436602.db2.gz NIVBVVFPXLBFNY-UHFFFAOYSA-N -1 0 345.370 3.839 20 0 EHADRM O=C(NCCCSc1ccc(F)cc1)c1c([O-])cc(F)cc1F ZINC000066041831 1129125633 /nfs/dbraw/zinc/12/56/33/1129125633.db2.gz NVPVOSAHJFMECR-UHFFFAOYSA-N -1 0 341.354 3.722 20 0 EHADRM COc1cc(CNC(=O)c2ccccc2C(C)(C)C)ccc1C(=O)[O-] ZINC000237363505 1123514961 /nfs/dbraw/zinc/51/49/61/1123514961.db2.gz ZPLYMZAUJDIAKO-UHFFFAOYSA-N -1 0 341.407 3.621 20 0 EHADRM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1ccc(C(=O)[O-])s1 ZINC000237391765 1123516778 /nfs/dbraw/zinc/51/67/78/1123516778.db2.gz ZVVBTWKSQCALOE-RFAUZJTJSA-N -1 0 333.384 3.639 20 0 EHADRM COc1ccc(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)c(F)c1 ZINC000237460224 1123520697 /nfs/dbraw/zinc/52/06/97/1123520697.db2.gz APJCUZQKJAAPJL-UHFFFAOYSA-N -1 0 345.351 4.000 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(F)cc2F)cc1C ZINC000134772960 1123552288 /nfs/dbraw/zinc/55/22/88/1123552288.db2.gz ZMCCKMVTEWHTNU-UHFFFAOYSA-N -1 0 339.363 3.585 20 0 EHADRM COc1ccc(-c2csc(CNC(=O)CCCCC(=O)[O-])c2)cc1 ZINC000263298979 1123764661 /nfs/dbraw/zinc/76/46/61/1123764661.db2.gz NARVWZBFLRVPRR-UHFFFAOYSA-N -1 0 347.436 3.685 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cccc(Cl)c2)cnn1CCC(C)C ZINC000137824649 1123778246 /nfs/dbraw/zinc/77/82/46/1123778246.db2.gz CPNOQJCMTIIZQG-UHFFFAOYSA-N -1 0 341.864 3.692 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)Nc3cccc(C(F)F)c3)cc2=O)cc1 ZINC000081318226 1123788278 /nfs/dbraw/zinc/78/82/78/1123788278.db2.gz XUCKIKBQZPBGSF-UHFFFAOYSA-N -1 0 343.333 3.664 20 0 EHADRM Cc1nc([C@H](C)NC(=O)CCc2ccc(C)cc2C)sc1C(=O)[O-] ZINC000237617539 1123792209 /nfs/dbraw/zinc/79/22/09/1123792209.db2.gz YTBFVHXSHDMWNO-ZDUSSCGKSA-N -1 0 346.452 3.577 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N2CCC[C@H]2C2CCCC2)s1 ZINC000615476743 1123804627 /nfs/dbraw/zinc/80/46/27/1123804627.db2.gz ITLHEBHCVVYUJB-AWEZNQCLSA-N -1 0 336.505 3.879 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N(C)[C@H](C)c2ccccc2C)s1 ZINC000615470663 1123810006 /nfs/dbraw/zinc/81/00/06/1123810006.db2.gz XHXCNRCZTCYBRJ-LLVKDONJSA-N -1 0 336.486 3.605 20 0 EHADRM Cc1ccc(Nc2c(Cl)cc(C(=O)[O-])cc2Cl)c(C(N)=O)c1 ZINC001214517246 1129148432 /nfs/dbraw/zinc/14/84/32/1129148432.db2.gz YKOCOINQJKRIMA-UHFFFAOYSA-N -1 0 339.178 3.843 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)NCCCCCCC(=O)[O-])c2c1 ZINC000237819684 1123872713 /nfs/dbraw/zinc/87/27/13/1123872713.db2.gz HIQNYBDUMPXIED-UHFFFAOYSA-N -1 0 330.428 3.560 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CCC[C@@H](c3ccccc3)CC2)C1 ZINC000179997056 1123919110 /nfs/dbraw/zinc/91/91/10/1123919110.db2.gz GXYWTNVGYUBCHP-KURKYZTESA-N -1 0 329.440 3.674 20 0 EHADRM Cc1cc(C(=O)N[C@H](C)[C@@H](C)C(=O)[O-])sc1-c1ccc(F)cc1 ZINC000263482442 1123925673 /nfs/dbraw/zinc/92/56/73/1123925673.db2.gz UWBOTIHBXIEBKA-GHMZBOCLSA-N -1 0 335.400 3.702 20 0 EHADRM C[C@@H](Oc1cccc(C(=O)/C=C/c2ccc(F)c(F)c2)c1)C(=O)[O-] ZINC000068726441 1124010698 /nfs/dbraw/zinc/01/06/98/1124010698.db2.gz JOIQCJJWIAAPRJ-LXSSAFMLSA-N -1 0 332.302 3.713 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)C[C@]34CCCC[C@H]3C4(F)F)[nH][n-]2)o1 ZINC000616823651 1124041833 /nfs/dbraw/zinc/04/18/33/1124041833.db2.gz ULEXJROVAFWFHM-CZUORRHYSA-N -1 0 335.354 3.554 20 0 EHADRM CC[C@H](C)[C@H](C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)c1ccccc1 ZINC000543065094 1129178557 /nfs/dbraw/zinc/17/85/57/1129178557.db2.gz WAMZBWJUSJNGPZ-JWWIWJDOSA-N -1 0 329.440 3.530 20 0 EHADRM O=C(CCc1cc2ccccc2o1)N=c1cc(-c2cccs2)[nH][nH]1 ZINC000617365539 1124500190 /nfs/dbraw/zinc/50/01/90/1124500190.db2.gz SIWWWIMXNGCHLN-UHFFFAOYSA-N -1 0 337.404 3.878 20 0 EHADRM CC1(C)Oc2ccc([N-]S(=O)(=O)c3cc4ccccc4o3)cc2O1 ZINC000084920211 1124604442 /nfs/dbraw/zinc/60/44/42/1124604442.db2.gz RAUYMCLIMMILNX-UHFFFAOYSA-N -1 0 345.376 3.741 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(N(C)C)c2C)c(Cl)c1 ZINC000181154324 1124607815 /nfs/dbraw/zinc/60/78/15/1124607815.db2.gz IHQWDHQIDGWVCI-UHFFFAOYSA-N -1 0 338.860 3.824 20 0 EHADRM CCc1oc(C(=O)N[C@H]2CC[C@@H](Cc3ccccc3)C2)cc1C(=O)[O-] ZINC000263575645 1124642505 /nfs/dbraw/zinc/64/25/05/1124642505.db2.gz PISDXNJWKJEETF-GJZGRUSLSA-N -1 0 341.407 3.681 20 0 EHADRM Cc1noc(C)c1/C=C/C(=O)c1cc(Br)cc(F)c1[O-] ZINC000181482156 1124871884 /nfs/dbraw/zinc/87/18/84/1124871884.db2.gz SCYWSZAXTJOHLR-ONEGZZNKSA-N -1 0 340.148 3.795 20 0 EHADRM CC(C)c1ccc([C@@H]2CCCN2C(=O)/N=c2\[n-]nc3ccccn32)cc1 ZINC000090480342 1124915224 /nfs/dbraw/zinc/91/52/24/1124915224.db2.gz ONZHXYIOAHYHEK-KRWDZBQOSA-N -1 0 349.438 3.644 20 0 EHADRM Cc1cc(SC2CCCCC2)ccc1NC(=O)CCc1nnn[n-]1 ZINC000630865174 1124918902 /nfs/dbraw/zinc/91/89/02/1124918902.db2.gz AMLBNIWWVCKKHD-UHFFFAOYSA-N -1 0 345.472 3.504 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)CCc2ccco2)c1C ZINC000069604068 1124932324 /nfs/dbraw/zinc/93/23/24/1124932324.db2.gz LRQJBEABZPABNY-UHFFFAOYSA-N -1 0 335.425 3.791 20 0 EHADRM CCN(CC)c1ncc(CNc2ccc(C(C)(C)C(=O)[O-])cc2)s1 ZINC000901510466 1125030714 /nfs/dbraw/zinc/03/07/14/1125030714.db2.gz DSWMLDSPVKBPPF-UHFFFAOYSA-N -1 0 347.484 3.964 20 0 EHADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cnc(Cl)c(C)c1 ZINC000735265597 1131327968 /nfs/dbraw/zinc/32/79/68/1131327968.db2.gz KIKMRNNGWUQXRD-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CCOC(=O)c1cnc(/C=C/c2ccc3cnccc3c2)c(C(=O)[O-])c1 ZINC000618634086 1125140905 /nfs/dbraw/zinc/14/09/05/1125140905.db2.gz OEGOSTKLXBSGIF-GQCTYLIASA-N -1 0 348.358 3.675 20 0 EHADRM O=c1c2c([n-]n1-c1cc(C(F)(F)F)ccc1Br)CCC2 ZINC000634613396 1125239438 /nfs/dbraw/zinc/23/94/38/1125239438.db2.gz WYCDCYQENRCIDZ-MRVPVSSYSA-N -1 0 347.134 3.971 20 0 EHADRM O=C(c1s[n-]c(=O)c1Cl)N(Cc1ccccc1F)CC1CC1 ZINC000618967180 1125251374 /nfs/dbraw/zinc/25/13/74/1125251374.db2.gz MWEGMIBYZVHBKQ-UHFFFAOYSA-N -1 0 340.807 3.694 20 0 EHADRM CC[C@@H]1CC[C@@H](C)N(C(=O)c2cccc(Br)c2[O-])C1 ZINC000619133864 1125286684 /nfs/dbraw/zinc/28/66/84/1125286684.db2.gz QLCVUXHJHJAVEH-GHMZBOCLSA-N -1 0 326.234 3.805 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)c(F)c1 ZINC000478850929 1129280767 /nfs/dbraw/zinc/28/07/67/1129280767.db2.gz GAWLZXGHHMCAQO-QGZVFWFLSA-N -1 0 345.345 3.934 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)OC(C)C)c1 ZINC000011240139 1129290154 /nfs/dbraw/zinc/29/01/54/1129290154.db2.gz NZXJKYVUSQXFRU-UHFFFAOYSA-N -1 0 347.436 3.669 20 0 EHADRM O=C([O-])CCC/C(=C\c1cncnc1)c1nc2ccccc2s1 ZINC000357717354 1129295148 /nfs/dbraw/zinc/29/51/48/1129295148.db2.gz VLBRJSCHVZFRQK-MDWZMJQESA-N -1 0 325.393 3.882 20 0 EHADRM O=C([O-])CCC/C(=C/c1cncnc1)c1nc2ccccc2s1 ZINC000357717352 1129295422 /nfs/dbraw/zinc/29/54/22/1129295422.db2.gz VLBRJSCHVZFRQK-JYRVWZFOSA-N -1 0 325.393 3.882 20 0 EHADRM CCN(C(=O)c1n[n-]c2ccccc2c1=O)c1ccc(Cl)cc1 ZINC000735648905 1131368783 /nfs/dbraw/zinc/36/87/83/1131368783.db2.gz BPYHPPCKWVJLMF-UHFFFAOYSA-N -1 0 327.771 3.656 20 0 EHADRM C[C@@H]1C[C@H](C(=O)Nc2cc(Cl)cc(Br)c2[O-])CCO1 ZINC000272066694 1129403876 /nfs/dbraw/zinc/40/38/76/1129403876.db2.gz OMHPUYVSVWZVJM-HTQZYQBOSA-N -1 0 348.624 3.562 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1cnn(-c2ccc(C)cc2C)c1 ZINC000466403289 1129426076 /nfs/dbraw/zinc/42/60/76/1129426076.db2.gz FYNAYBOZCHDBGH-UHFFFAOYSA-N -1 0 347.465 3.660 20 0 EHADRM Cc1cccc(O)c1C(=O)N(C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000624930467 1129594376 /nfs/dbraw/zinc/59/43/76/1129594376.db2.gz BBVLLYWEYXDRRA-XLIONFOSSA-N -1 0 339.435 3.941 20 0 EHADRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc2scnc2c1 ZINC000509063150 1129710448 /nfs/dbraw/zinc/71/04/48/1129710448.db2.gz DTWIQRHXUGJMAO-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM Cc1ncc(Nc2ccc(C(=O)[O-])c(F)c2F)cc1Br ZINC001212511263 1129878874 /nfs/dbraw/zinc/87/88/74/1129878874.db2.gz ZWAIWFIPPLTBFI-UHFFFAOYSA-N -1 0 343.127 3.873 20 0 EHADRM CN(C(=O)c1nn(-c2ccccc2)cc1[O-])C1CCCCCCC1 ZINC000162966738 1129913836 /nfs/dbraw/zinc/91/38/36/1129913836.db2.gz UILUGIMXFZOKQL-UHFFFAOYSA-N -1 0 327.428 3.763 20 0 EHADRM CC(C)NC(=O)c1cccc(Nc2ccc(C(=O)[O-])c(F)c2F)c1 ZINC001212513288 1129924135 /nfs/dbraw/zinc/92/41/35/1129924135.db2.gz JSJZHWMJCBOKDT-UHFFFAOYSA-N -1 0 334.322 3.545 20 0 EHADRM Cc1ccc(C(=O)NC2CC2)cc1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212515640 1129929323 /nfs/dbraw/zinc/92/93/23/1129929323.db2.gz HOGQPGVVBSBWRG-UHFFFAOYSA-N -1 0 346.333 3.607 20 0 EHADRM Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1cccc2[nH]ccc21 ZINC000673981383 1129932856 /nfs/dbraw/zinc/93/28/56/1129932856.db2.gz ISKRSGVXWJGZSJ-UHFFFAOYSA-N -1 0 337.404 3.825 20 0 EHADRM CC(C)[C@@H]1CCC[C@@H](NC(=O)N=c2[n-]nc(-c3ccco3)s2)C1 ZINC000509199609 1129959294 /nfs/dbraw/zinc/95/92/94/1129959294.db2.gz YQWNIUXKFAVKOF-VXGBXAGGSA-N -1 0 334.445 3.556 20 0 EHADRM Cc1ccc(-c2ncc(CN=c3[n-]nc(CC4CCCC4)o3)s2)o1 ZINC000347887488 1129982009 /nfs/dbraw/zinc/98/20/09/1129982009.db2.gz IFDFQKGVQDGIPC-UHFFFAOYSA-N -1 0 344.440 3.861 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000466623729 1129982081 /nfs/dbraw/zinc/98/20/81/1129982081.db2.gz VQUYGVQFAHXOKG-OAHLLOKOSA-N -1 0 349.459 3.932 20 0 EHADRM O=C(CC/C=C/c1ccccc1)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000466629628 1129990476 /nfs/dbraw/zinc/99/04/76/1129990476.db2.gz UBANGQNIJDTFBJ-YRNVUSSQSA-N -1 0 329.403 3.998 20 0 EHADRM CCOc1cc(CN=c2[n-]nc(CC(C)C)o2)ccc1OCC(C)C ZINC000347892000 1129991106 /nfs/dbraw/zinc/99/11/06/1129991106.db2.gz YVCWVCMZQYNUAP-UHFFFAOYSA-N -1 0 347.459 3.736 20 0 EHADRM CCc1ccc(Cl)c(CC)c1[N-]S(=O)(=O)c1ccc(C)nc1 ZINC000509218489 1129993859 /nfs/dbraw/zinc/99/38/59/1129993859.db2.gz PBXFBFWSLOSGOF-UHFFFAOYSA-N -1 0 338.860 3.969 20 0 EHADRM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000171013797 1129997665 /nfs/dbraw/zinc/99/76/65/1129997665.db2.gz YBEVOJDVWHTCMV-VIFPVBQESA-N -1 0 331.846 3.910 20 0 EHADRM Cc1cnn(-c2ccc(C(=O)Nc3cccc(Cl)c3[O-])cc2)c1 ZINC000172112209 1130107280 /nfs/dbraw/zinc/10/72/80/1130107280.db2.gz YTLFYBYJOLVSIX-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM CCOC(=O)c1cnc(NC(=O)/C=C\[C@]2(C)CC[C@@H](C)C2(C)C)[n-]1 ZINC001128847642 1130207354 /nfs/dbraw/zinc/20/73/54/1130207354.db2.gz UCJCIDZOTCZLIN-BACITOSSSA-N -1 0 333.432 3.544 20 0 EHADRM Cc1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cccc1C(F)(F)F ZINC000675431448 1130368362 /nfs/dbraw/zinc/36/83/62/1130368362.db2.gz MZVGRCOJESUGSO-GHMZBOCLSA-N -1 0 327.302 3.619 20 0 EHADRM O=C([O-])c1cc(Br)cc(NC[C@@H]2CCC(F)(F)C2)c1 ZINC001162656420 1130424025 /nfs/dbraw/zinc/42/40/25/1130424025.db2.gz UWJNDMSYRXLFQM-MRVPVSSYSA-N -1 0 334.160 3.995 20 0 EHADRM Cc1cccc2cc(C(=O)N(CCC(=O)[O-])Cc3ccccc3)oc21 ZINC000675946538 1130508212 /nfs/dbraw/zinc/50/82/12/1130508212.db2.gz IWFWMIRLWRXSML-UHFFFAOYSA-N -1 0 337.375 3.858 20 0 EHADRM Cc1nc(CC(C)C)sc1C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC000675994108 1130515617 /nfs/dbraw/zinc/51/56/17/1130515617.db2.gz SOXLMCVQOFGSBC-UHFFFAOYSA-N -1 0 338.473 3.510 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCCOCc2ccccc2)ccc1Cl ZINC000676003689 1130516035 /nfs/dbraw/zinc/51/60/35/1130516035.db2.gz TZIUBGODRZDDIK-UHFFFAOYSA-N -1 0 347.798 3.974 20 0 EHADRM O=C([O-])CN(C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)C1CCCCC1 ZINC000675994021 1130517531 /nfs/dbraw/zinc/51/75/31/1130517531.db2.gz VXWBIRMYQWTKFT-NWDGAFQWSA-N -1 0 335.366 3.601 20 0 EHADRM O=C([O-])C1(CNC(=O)c2ccc(-c3ccc(F)cc3)s2)CCCC1 ZINC000676024517 1130518218 /nfs/dbraw/zinc/51/82/18/1130518218.db2.gz JEJIRJZFOOKCPU-UHFFFAOYSA-N -1 0 347.411 3.929 20 0 EHADRM C[C@@H]1CCCC[C@@H]1OCc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000070694291 1130523774 /nfs/dbraw/zinc/52/37/74/1130523774.db2.gz PTLTWKAMLHKAAU-YPMHNXCESA-N -1 0 332.469 3.959 20 0 EHADRM CC[C@H](CC(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1)C(C)C ZINC000729885202 1130652780 /nfs/dbraw/zinc/65/27/80/1130652780.db2.gz RTIKMWWQZBVLGR-CQSZACIVSA-N -1 0 333.453 3.717 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)s2)ccc1N(C)C ZINC000731782397 1130846419 /nfs/dbraw/zinc/84/64/19/1130846419.db2.gz BULSMUBIJYQQBL-UHFFFAOYSA-N -1 0 330.862 3.577 20 0 EHADRM CC(C)(C)c1ccc(CNC(=O)c2n[n-]c3ccccc3c2=O)cc1 ZINC000732267859 1130906882 /nfs/dbraw/zinc/90/68/82/1130906882.db2.gz ZMUWBNSEFNLTND-UHFFFAOYSA-N -1 0 335.407 3.563 20 0 EHADRM CCCCCCNC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC000732898589 1130968135 /nfs/dbraw/zinc/96/81/35/1130968135.db2.gz OQQHAPFCSCWZBJ-UHFFFAOYSA-N -1 0 348.468 3.521 20 0 EHADRM C[C@@H](NC(=O)CC1(C(=O)[O-])CCCC1)c1nc2ccccc2s1 ZINC000734158262 1131205192 /nfs/dbraw/zinc/20/51/92/1131205192.db2.gz KTZXTYVARZUQBW-LLVKDONJSA-N -1 0 332.425 3.509 20 0 EHADRM O=C(/C=C/c1ccco1)NCc1c(C(=O)[O-])sc2ccsc21 ZINC000738452389 1131471817 /nfs/dbraw/zinc/47/18/17/1131471817.db2.gz AMWNTZIQSXQXPN-ONEGZZNKSA-N -1 0 333.390 3.584 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000739139171 1131493359 /nfs/dbraw/zinc/49/33/59/1131493359.db2.gz YLOQJCCAUFBIRG-HNNXBMFYSA-N -1 0 345.464 3.556 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccnn1C1CCCCC1 ZINC000743046235 1131842797 /nfs/dbraw/zinc/84/27/97/1131842797.db2.gz QZBIPVLMEMJWBX-UHFFFAOYSA-N -1 0 337.420 3.637 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1c2nsnc2ccc1Cl ZINC000743262208 1131887514 /nfs/dbraw/zinc/88/75/14/1131887514.db2.gz NEOUWBUKXKEFFU-UHFFFAOYSA-N -1 0 345.858 3.515 20 0 EHADRM CCc1ccc(N2CCN(C(=O)c3ccc([O-])c(Cl)c3)CC2)cc1 ZINC000743787927 1131975475 /nfs/dbraw/zinc/97/54/75/1131975475.db2.gz HSWPHBPHYYHCCZ-UHFFFAOYSA-N -1 0 344.842 3.570 20 0 EHADRM CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000744007028 1132007355 /nfs/dbraw/zinc/00/73/55/1132007355.db2.gz YXKATZVJRIRQEM-ZDUSSCGKSA-N -1 0 325.474 3.715 20 0 EHADRM S=c1[n-]c2ccc(-c3noc(-c4ccnc(Cl)n4)n3)cc2s1 ZINC001212750173 1132115700 /nfs/dbraw/zinc/11/57/00/1132115700.db2.gz RBVIJWLEDUFOJM-UHFFFAOYSA-N -1 0 347.812 3.745 20 0 EHADRM O=S(=O)([O-])c1cc(O)c2ccc(NC=Cc3ccccc3)cc2c1 ZINC001173874040 1132159977 /nfs/dbraw/zinc/15/99/77/1132159977.db2.gz MHNQOXDMIURWMX-CMDGGOBGSA-N -1 0 341.388 3.875 20 0 EHADRM CC(=O)c1ccc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)cc1 ZINC001173899086 1132166266 /nfs/dbraw/zinc/16/62/66/1132166266.db2.gz WIODGQZNNGHEOJ-UHFFFAOYSA-N -1 0 325.773 3.533 20 0 EHADRM COc1cccc(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)c1F ZINC001173972430 1132203824 /nfs/dbraw/zinc/20/38/24/1132203824.db2.gz IRRDLVUJDSYUJQ-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM COCc1cccc(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)c1 ZINC001174094870 1132225963 /nfs/dbraw/zinc/22/59/63/1132225963.db2.gz QHSUZWYVFGRGEK-UHFFFAOYSA-N -1 0 343.404 3.977 20 0 EHADRM COc1cc(Nc2ccc(C(=O)N3CCCC3)cc2)ccc1[S-] ZINC001174069708 1132233258 /nfs/dbraw/zinc/23/32/58/1132233258.db2.gz VSLRBUMRUWJXGN-UHFFFAOYSA-N -1 0 328.437 3.964 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2ccc3ncsc3c2)c(Cl)c1 ZINC001174366024 1132337942 /nfs/dbraw/zinc/33/79/42/1132337942.db2.gz IAVZIVQHDFJJKF-UHFFFAOYSA-N -1 0 340.813 3.940 20 0 EHADRM COc1ccc(F)c(F)c1Nc1c(C)cc(C)cc1S(=O)(=O)[O-] ZINC001174423966 1132348938 /nfs/dbraw/zinc/34/89/38/1132348938.db2.gz OKZCCKPUCCHTTD-UHFFFAOYSA-N -1 0 343.351 3.581 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2ccnn2Cc2ccccc2F)c1 ZINC001174495838 1132371758 /nfs/dbraw/zinc/37/17/58/1132371758.db2.gz XRAATHSGRMHIQJ-CMDGGOBGSA-N -1 0 337.354 3.912 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2cc(Br)cnc2F)c1 ZINC001174495557 1132371861 /nfs/dbraw/zinc/37/18/61/1132371861.db2.gz USMQCKYRXLTBLI-SNAWJCMRSA-N -1 0 337.148 3.825 20 0 EHADRM CCOC(=O)c1ccc(Nc2cccc(/C=C/C(=O)[O-])c2)c(F)c1 ZINC001174496967 1132371940 /nfs/dbraw/zinc/37/19/40/1132371940.db2.gz XAPBIFMDZYLAKQ-RMKNXTFCSA-N -1 0 329.327 3.844 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2ccc(O)c(Br)c2)c1 ZINC001174496756 1132372005 /nfs/dbraw/zinc/37/20/05/1132372005.db2.gz ULFAJSXBIKFKTP-QPJJXVBHSA-N -1 0 334.169 3.996 20 0 EHADRM COC(=O)c1c(F)cc(F)cc1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174499106 1132372711 /nfs/dbraw/zinc/37/27/11/1132372711.db2.gz AOAZFQJYTOIXCY-AATRIKPKSA-N -1 0 333.290 3.593 20 0 EHADRM COCCCN(c1cccc(/C=C/C(=O)[O-])c1)c1ccccc1N ZINC001174497089 1132373441 /nfs/dbraw/zinc/37/34/41/1132373441.db2.gz DRQGZNSOZBVRMJ-ZHACJKMWSA-N -1 0 326.396 3.541 20 0 EHADRM CC1(C)CNC(=O)c2cc(Nc3cccc(/C=C/C(=O)[O-])c3)ccc21 ZINC001174497530 1132373526 /nfs/dbraw/zinc/37/35/26/1132373526.db2.gz WSSBBQLTFSMOCC-RMKNXTFCSA-N -1 0 336.391 3.549 20 0 EHADRM Cc1sccc1Nc1c(O)cc(S(=O)(=O)[O-])c2ccccc21 ZINC001174460988 1132376341 /nfs/dbraw/zinc/37/63/41/1132376341.db2.gz JBZRWTRZYIKHMV-UHFFFAOYSA-N -1 0 335.406 3.906 20 0 EHADRM COC(=O)C1(c2ccc(Nc3cccc(/C=C/C(=O)[O-])c3)cc2)CC1 ZINC001174500014 1132381072 /nfs/dbraw/zinc/38/10/72/1132381072.db2.gz NNKARJGWSZDYDG-BJMVGYQFSA-N -1 0 337.375 3.733 20 0 EHADRM CC(C)(CNC(=O)c1ccc2[n-]c(=S)oc2c1)c1cccs1 ZINC000746266426 1132399161 /nfs/dbraw/zinc/39/91/61/1132399161.db2.gz LMIQWKMCANARSQ-UHFFFAOYSA-N -1 0 332.450 3.886 20 0 EHADRM Cc1ccccc1O[C@H](C)CNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000746314448 1132425222 /nfs/dbraw/zinc/42/52/22/1132425222.db2.gz FBCZZGWEJHZTNR-GFCCVEGCSA-N -1 0 342.420 3.622 20 0 EHADRM COc1ccc(-c2cc(Nc3ccc(C(=O)[O-])cc3OC)on2)cc1 ZINC001174671149 1132431668 /nfs/dbraw/zinc/43/16/68/1132431668.db2.gz UFIZBAHZDIGQAY-UHFFFAOYSA-N -1 0 340.335 3.801 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ccnn1-c1cccc(Cl)c1 ZINC001174674817 1132433070 /nfs/dbraw/zinc/43/30/70/1132433070.db2.gz NCAMLDLOCXGXQK-UHFFFAOYSA-N -1 0 343.770 3.976 20 0 EHADRM CCOC(=O)c1ccc(C)c(Nc2ccc(C(=O)[O-])cc2OC)c1 ZINC001174677456 1132433970 /nfs/dbraw/zinc/43/39/70/1132433970.db2.gz YQICREHWQARMSK-UHFFFAOYSA-N -1 0 329.352 3.622 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1c(N)cc(F)cc1C(F)(F)F ZINC001174680188 1132435101 /nfs/dbraw/zinc/43/51/01/1132435101.db2.gz PUZZLVNQBSSLDX-UHFFFAOYSA-N -1 0 344.264 3.877 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CC[C@H]1c1cccc(F)c1 ZINC000746325583 1132444203 /nfs/dbraw/zinc/44/42/03/1132444203.db2.gz FIBGCEOPEUEIMR-AWEZNQCLSA-N -1 0 328.368 3.843 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CC[C@@H]1c1cccc(F)c1 ZINC000746325584 1132444822 /nfs/dbraw/zinc/44/48/22/1132444822.db2.gz FIBGCEOPEUEIMR-CQSZACIVSA-N -1 0 328.368 3.843 20 0 EHADRM COc1ccc(Nc2cc(Cl)c(C)cc2S(=O)(=O)[O-])cc1C ZINC001174832188 1132474089 /nfs/dbraw/zinc/47/40/89/1132474089.db2.gz RLMMJZCOYAENNT-UHFFFAOYSA-N -1 0 341.816 3.956 20 0 EHADRM CCOC(=O)c1c(F)cc(F)cc1Nc1ccc(C(=O)[O-])s1 ZINC001174812315 1132480290 /nfs/dbraw/zinc/48/02/90/1132480290.db2.gz GLDOIMCOIZNUKU-UHFFFAOYSA-N -1 0 327.308 3.645 20 0 EHADRM C[C@H](C1CC1)N(C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])C1CC1 ZINC000193797095 1132482448 /nfs/dbraw/zinc/48/24/48/1132482448.db2.gz ACZXCLQQIXXRKX-LLVKDONJSA-N -1 0 345.830 3.634 20 0 EHADRM O=S(=O)([O-])c1ccc2c(cccc2Nc2ccc3c(c2)OCO3)c1 ZINC001174866693 1132491102 /nfs/dbraw/zinc/49/11/02/1132491102.db2.gz NOUKYYQNIKPIBF-UHFFFAOYSA-N -1 0 343.360 3.559 20 0 EHADRM CC[C@@](C)([N-]S(=O)(=O)/C=C\c1ccccc1Cl)C(F)(F)F ZINC000746400235 1132509936 /nfs/dbraw/zinc/50/99/36/1132509936.db2.gz CTOBQGXCGUZJOT-JLVNDZCYSA-N -1 0 341.782 3.961 20 0 EHADRM Cc1cc(C)c(Nc2ccc(CC(=O)[O-])cc2)c(Br)n1 ZINC001174948155 1132515203 /nfs/dbraw/zinc/51/52/03/1132515203.db2.gz WUEJNEYLGPAORH-UHFFFAOYSA-N -1 0 335.201 3.832 20 0 EHADRM COc1ccc(OC(F)(F)F)cc1Nc1ccc(CC(=O)[O-])cc1 ZINC001174952876 1132516608 /nfs/dbraw/zinc/51/66/08/1132516608.db2.gz CCIIIXLABOHVMD-UHFFFAOYSA-N -1 0 341.285 3.965 20 0 EHADRM CCOC(=O)c1cc(F)c(C)c(Nc2ccc(CC(=O)[O-])cc2)c1 ZINC001174954220 1132517204 /nfs/dbraw/zinc/51/72/04/1132517204.db2.gz GLDFFLYCCBHXHR-UHFFFAOYSA-N -1 0 331.343 3.682 20 0 EHADRM Cc1cc(Br)cc(Nc2ccc(CC(=O)[O-])cc2)c1N ZINC001174953596 1132517289 /nfs/dbraw/zinc/51/72/89/1132517289.db2.gz HESIZVDDFDETEQ-UHFFFAOYSA-N -1 0 335.201 3.710 20 0 EHADRM CC(=O)c1cc(NC(=O)c2ccc3[n-]c(=S)oc3c2)ccc1F ZINC000804272950 1132529418 /nfs/dbraw/zinc/52/94/18/1132529418.db2.gz NILDPAZDSJIOJM-UHFFFAOYSA-N -1 0 330.340 3.711 20 0 EHADRM CCCCCc1ccc(Nc2ccc(C(=O)NCC(=O)[O-])cc2)cc1 ZINC001175012805 1132530253 /nfs/dbraw/zinc/53/02/53/1132530253.db2.gz DRVNFKMPYBZVQX-UHFFFAOYSA-N -1 0 340.423 3.977 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1cc(N)ccc1OC(F)(F)F ZINC001174984991 1132536624 /nfs/dbraw/zinc/53/66/24/1132536624.db2.gz YHIBJXZYQJUGIQ-UHFFFAOYSA-N -1 0 326.274 3.918 20 0 EHADRM CCOc1cc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)ccc1F ZINC001175052411 1132550620 /nfs/dbraw/zinc/55/06/20/1132550620.db2.gz BPRTUFLWFNEGPA-UHFFFAOYSA-N -1 0 345.779 3.868 20 0 EHADRM CCOC(=O)c1nnsc1[N-]c1cc(C(F)(F)F)ccc1F ZINC001175076533 1132561201 /nfs/dbraw/zinc/56/12/01/1132561201.db2.gz ZEUNFIMXXNTRPA-UHFFFAOYSA-N -1 0 335.282 3.616 20 0 EHADRM COc1ccc(F)c(Nc2c(C)cc(C)cc2S(=O)(=O)[O-])c1F ZINC001175120625 1132572787 /nfs/dbraw/zinc/57/27/87/1132572787.db2.gz FGJXASLRXYQMRO-UHFFFAOYSA-N -1 0 343.351 3.581 20 0 EHADRM Cc1cc(Nc2nc[n-]c(=O)c2Br)ccc1OC(C)C ZINC001175192333 1132582628 /nfs/dbraw/zinc/58/26/28/1132582628.db2.gz QHXUQUIXDSYEJB-UHFFFAOYSA-N -1 0 338.205 3.784 20 0 EHADRM CCOC(=O)CCc1ccc(Nc2ccc(C(=O)[O-])c(F)c2)cc1F ZINC001175162272 1132586168 /nfs/dbraw/zinc/58/61/68/1132586168.db2.gz QOWMMANHXPWNGR-UHFFFAOYSA-N -1 0 349.333 3.902 20 0 EHADRM Cc1cnc(Br)cc1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175216227 1132597680 /nfs/dbraw/zinc/59/76/80/1132597680.db2.gz XWHWUXDJCGYCFQ-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM CCOC(=O)c1oc2ncccc2c1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175215645 1132598031 /nfs/dbraw/zinc/59/80/31/1132598031.db2.gz OMPNDDSBVXGMDD-UHFFFAOYSA-N -1 0 344.298 3.585 20 0 EHADRM O=C([O-])c1cc(Nc2ccnc(F)c2Br)ccc1F ZINC001175216589 1132598062 /nfs/dbraw/zinc/59/80/62/1132598062.db2.gz FHCLUSTXSDRPPW-UHFFFAOYSA-N -1 0 329.100 3.564 20 0 EHADRM CC(C)(C)c1cc2ncc(Nc3ccc(F)c(C(=O)[O-])c3)cn2n1 ZINC001175220940 1132599164 /nfs/dbraw/zinc/59/91/64/1132599164.db2.gz TVMRZNHYOQNAPO-UHFFFAOYSA-N -1 0 328.347 3.608 20 0 EHADRM Cc1cnn(Cc2ccncc2)c1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175314694 1132634654 /nfs/dbraw/zinc/63/46/54/1132634654.db2.gz XHCNJWQHDZNXFT-UHFFFAOYSA-N -1 0 342.786 3.730 20 0 EHADRM CC(C)c1nnc2ccc(Nc3ccc(C(=O)[O-])c(Cl)c3)cn21 ZINC001175315624 1132636112 /nfs/dbraw/zinc/63/61/12/1132636112.db2.gz JTHJBZFWYUCMTG-UHFFFAOYSA-N -1 0 330.775 3.948 20 0 EHADRM O=C([O-])c1ccc(Nc2c[nH]c(C(F)(F)F)cc2=O)cc1Cl ZINC001175317495 1132637013 /nfs/dbraw/zinc/63/70/13/1132637013.db2.gz ZKNOUEIGMSLRTE-UHFFFAOYSA-N -1 0 332.665 3.901 20 0 EHADRM CC(C)NC(=O)c1ccc(Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001175318827 1132637086 /nfs/dbraw/zinc/63/70/86/1132637086.db2.gz GYFRBNPBGWFXHD-UHFFFAOYSA-N -1 0 332.787 3.920 20 0 EHADRM COC(=O)c1c(Cl)nccc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175317101 1132637408 /nfs/dbraw/zinc/63/74/08/1132637408.db2.gz TZMNDGWNPWTWCT-UHFFFAOYSA-N -1 0 341.150 3.617 20 0 EHADRM CCN(CCO)c1ccc(Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001175320566 1132637833 /nfs/dbraw/zinc/63/78/33/1132637833.db2.gz SHWSCMYVFUGQKN-UHFFFAOYSA-N -1 0 334.803 3.600 20 0 EHADRM NC(=O)c1ccc(Cl)c(Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001175319744 1132638124 /nfs/dbraw/zinc/63/81/24/1132638124.db2.gz CMGDJLPUULQOBW-UHFFFAOYSA-N -1 0 325.151 3.534 20 0 EHADRM COC(=O)c1nc2c(cccc2Nc2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC001175320188 1132638322 /nfs/dbraw/zinc/63/83/22/1132638322.db2.gz DFNMTJJBFLFCCG-UHFFFAOYSA-N -1 0 346.726 3.710 20 0 EHADRM CCCCC[C@@H](C(=O)[N-]S(=O)(=O)CCCC(F)(F)F)C(C)C ZINC000766676381 1132746389 /nfs/dbraw/zinc/74/63/89/1132746389.db2.gz VSRMSWXQMMQJAZ-GFCCVEGCSA-N -1 0 345.427 3.627 20 0 EHADRM Cc1cnn(-c2ccccc2Cl)c1Nc1cncc(C(=O)[O-])c1 ZINC001175841177 1132772901 /nfs/dbraw/zinc/77/29/01/1132772901.db2.gz SHNHGLMZWSZTKO-UHFFFAOYSA-N -1 0 328.759 3.671 20 0 EHADRM Cc1cc(F)cc(Br)c1Nc1cncc(C(=O)[O-])c1 ZINC001175841947 1132773076 /nfs/dbraw/zinc/77/30/76/1132773076.db2.gz GSFBHOLLBKYAPH-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM O=C([O-])c1cncc(Nc2cccc(Br)c2Cl)c1 ZINC001175843022 1132773381 /nfs/dbraw/zinc/77/33/81/1132773381.db2.gz IXGYXUMKYZXVJP-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM O=C([O-])c1cncc(Nc2c(Cl)ccc(Br)c2O)c1 ZINC001175846442 1132774787 /nfs/dbraw/zinc/77/47/87/1132774787.db2.gz DFRJBXMFYKDZBY-UHFFFAOYSA-N -1 0 343.564 3.645 20 0 EHADRM COc1ccc(C)cc1[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000766891278 1132910751 /nfs/dbraw/zinc/91/07/51/1132910751.db2.gz CEZCBQNKHGAGHK-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM COc1ccccc1-c1cc(Nc2csc(C(=O)[O-])c2)n(C)n1 ZINC001176435862 1132929016 /nfs/dbraw/zinc/92/90/16/1132929016.db2.gz GKXXZVBFZJAFIT-UHFFFAOYSA-N -1 0 329.381 3.599 20 0 EHADRM COC(=O)c1cc(Cl)cc(Nc2csc(C(=O)[O-])c2)c1C ZINC001176440931 1132929524 /nfs/dbraw/zinc/92/95/24/1132929524.db2.gz RVIFFHCDBNJDLU-UHFFFAOYSA-N -1 0 325.773 3.938 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)C/C=C/c2ccc(F)cc2)cc1 ZINC000767089625 1132947946 /nfs/dbraw/zinc/94/79/46/1132947946.db2.gz AODXYVCFFSGUBL-CXGHDDNMSA-N -1 0 325.339 3.966 20 0 EHADRM COC(=O)c1cc(F)c(F)cc1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176587253 1132960892 /nfs/dbraw/zinc/96/08/92/1132960892.db2.gz XGRQVHDVHHESCP-UHFFFAOYSA-N -1 0 347.317 3.611 20 0 EHADRM COC(=O)c1cccc(Cl)c1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176589114 1132962284 /nfs/dbraw/zinc/96/22/84/1132962284.db2.gz BYSVNJNNEHVHOG-UHFFFAOYSA-N -1 0 345.782 3.986 20 0 EHADRM COCCOc1c(F)cccc1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176589369 1132962817 /nfs/dbraw/zinc/96/28/17/1132962817.db2.gz VNWUCEOFWGIMEL-UHFFFAOYSA-N -1 0 345.370 3.711 20 0 EHADRM CS(=O)(=O)c1ccc(Nc2ccc(Cl)cc2[S-])cc1F ZINC001176742199 1132991300 /nfs/dbraw/zinc/99/13/00/1132991300.db2.gz FVIOIXHHGUTTQI-UHFFFAOYSA-N -1 0 331.821 3.915 20 0 EHADRM O=c1[n-]c(F)c(Cl)c(Nc2cccnc2N2CCCC2)c1Cl ZINC001176749368 1132991820 /nfs/dbraw/zinc/99/18/20/1132991820.db2.gz BFXGGJHKQMWUQP-UHFFFAOYSA-N -1 0 343.189 3.972 20 0 EHADRM O=C([O-])c1ccc(Nc2cccn3c(Br)cnc23)cc1 ZINC001176710343 1132995044 /nfs/dbraw/zinc/99/50/44/1132995044.db2.gz GFLKHMINZCRWQK-UHFFFAOYSA-N -1 0 332.157 3.539 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(Br)c3nccn3c2)cc1 ZINC001176711121 1132995429 /nfs/dbraw/zinc/99/54/29/1132995429.db2.gz YWJOCLPCCSMUHL-UHFFFAOYSA-N -1 0 332.157 3.539 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)N1Cc2nc(C3CC3)[nH]c(=O)c2C1 ZINC001176858719 1133009791 /nfs/dbraw/zinc/00/97/91/1133009791.db2.gz JXKSOHACLSVKFE-ZDUSSCGKSA-N -1 0 329.444 3.508 20 0 EHADRM C[C@@H]1CC(C)(C)c2cccc(NC(=O)c3ccn(C)c3CC(=O)[O-])c21 ZINC001177367791 1133057362 /nfs/dbraw/zinc/05/73/62/1133057362.db2.gz VMRQOOQASHMTBG-GFCCVEGCSA-N -1 0 340.423 3.689 20 0 EHADRM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cccc2ccsc21 ZINC000767991776 1133079222 /nfs/dbraw/zinc/07/92/22/1133079222.db2.gz YPCBEJKEJXEHTG-GFCCVEGCSA-N -1 0 345.445 3.722 20 0 EHADRM Cc1cc(Cl)ncc1NC(=O)c1cccc(Br)c1[O-] ZINC000768294914 1133121969 /nfs/dbraw/zinc/12/19/69/1133121969.db2.gz IFECWMHWSFPVAR-UHFFFAOYSA-N -1 0 341.592 3.764 20 0 EHADRM Cc1c(Cl)cc(NC(=O)Cc2ncccc2F)c([O-])c1Cl ZINC001178481517 1133172495 /nfs/dbraw/zinc/17/24/95/1133172495.db2.gz KDOAMLSULCIDLJ-UHFFFAOYSA-N -1 0 329.158 3.723 20 0 EHADRM Cc1[nH]nc(NC(=O)c2c([O-])cccc2F)c1-c1ccc(F)cc1 ZINC001179037571 1133225022 /nfs/dbraw/zinc/22/50/22/1133225022.db2.gz XRLCARPJNPZBTD-UHFFFAOYSA-N -1 0 329.306 3.621 20 0 EHADRM CN(CCc1ccccc1F)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000769075749 1133225988 /nfs/dbraw/zinc/22/59/88/1133225988.db2.gz ZNMWZMOIMHTVTP-UHFFFAOYSA-N -1 0 325.742 3.639 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC(c2cccnc2)CC1 ZINC000769107533 1133227899 /nfs/dbraw/zinc/22/78/99/1133227899.db2.gz WDKGSTVKXTUWPM-UHFFFAOYSA-N -1 0 339.420 3.531 20 0 EHADRM N=C([N-]C(=O)C(F)(F)C(F)(F)Cl)C12CC3CC(CC(C3)C1)C2 ZINC001179779662 1133278708 /nfs/dbraw/zinc/27/87/08/1133278708.db2.gz HHSYYKLUAGRGHU-UHFFFAOYSA-N -1 0 340.748 3.763 20 0 EHADRM CCCCc1oc2ccccc2c1/C=C/C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000769511908 1133306159 /nfs/dbraw/zinc/30/61/59/1133306159.db2.gz RQSPZPQRTLGFJQ-HBWSCVEGSA-N -1 0 341.407 3.722 20 0 EHADRM CC(C)c1ccc(C2(C(=O)N[C@H](C)c3nn(C)cc3[O-])CCC2)cc1 ZINC001179921809 1133307847 /nfs/dbraw/zinc/30/78/47/1133307847.db2.gz XPYBJNFCOHABCO-CQSZACIVSA-N -1 0 341.455 3.548 20 0 EHADRM Cc1ccccc1CC(C)(C)CNC(=O)C1(C(=O)[O-])CCCCC1 ZINC001180439354 1133370475 /nfs/dbraw/zinc/37/04/75/1133370475.db2.gz CPUGSENEAREXEP-UHFFFAOYSA-N -1 0 331.456 3.715 20 0 EHADRM O=C(Nc1ccc2occc(=O)c2c1)c1ccc(C(F)(F)F)c([O-])c1 ZINC001181532817 1133498280 /nfs/dbraw/zinc/49/82/80/1133498280.db2.gz ZFZMPQIBAKXGMW-UHFFFAOYSA-N -1 0 349.264 3.770 20 0 EHADRM CCCC(=CC(=O)[N-]S(=O)(=O)c1ccc(Cl)s1)CCC ZINC000771254864 1133531441 /nfs/dbraw/zinc/53/14/41/1133531441.db2.gz ULHQCNQBYMWJSC-UHFFFAOYSA-N -1 0 335.878 3.733 20 0 EHADRM CCCCS(=O)(=O)[N-]C(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 ZINC000773949572 1133539167 /nfs/dbraw/zinc/53/91/67/1133539167.db2.gz ZJXHUXWPKCLGLQ-UHFFFAOYSA-N -1 0 341.517 3.619 20 0 EHADRM COc1ccc2c(c1)ncc(C(=O)Nc1cccc3c1CCCC3)c2O ZINC001182218803 1133598215 /nfs/dbraw/zinc/59/82/15/1133598215.db2.gz LGLLZOVAFVSNPE-UHFFFAOYSA-N -1 0 348.402 3.668 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000772141421 1133647353 /nfs/dbraw/zinc/64/73/53/1133647353.db2.gz ZGDQDMRPJCNIOC-CYBMUJFWSA-N -1 0 349.789 3.868 20 0 EHADRM COc1cc(NC(=O)Cc2ccc([S-])cc2)ncc1C(F)(F)F ZINC001183186924 1133776985 /nfs/dbraw/zinc/77/69/85/1133776985.db2.gz YDKPTVCINQWFAO-UHFFFAOYSA-N -1 0 342.342 3.579 20 0 EHADRM C[C@@H]1CC[C@H](CNC(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC001183348908 1133797643 /nfs/dbraw/zinc/79/76/43/1133797643.db2.gz FEDNCXZSRDDSKG-BDAKNGLRSA-N -1 0 346.652 3.974 20 0 EHADRM O=C(NC[C@H]1CCC[C@@H]1c1ccccc1)c1c([O-])cc(F)cc1F ZINC001183571941 1133827946 /nfs/dbraw/zinc/82/79/46/1133827946.db2.gz OCVVNEXMKNYGET-UKRRQHHQSA-N -1 0 331.362 3.984 20 0 EHADRM CCCC(C)(C)CC(=O)[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000786511514 1133867783 /nfs/dbraw/zinc/86/77/83/1133867783.db2.gz BZZUSYMHZOCFKU-UHFFFAOYSA-N -1 0 333.453 3.861 20 0 EHADRM CCc1ccc(C(=O)N2Cc3ccc(Br)cc3C2)c(O)c1 ZINC000787271871 1133987593 /nfs/dbraw/zinc/98/75/93/1133987593.db2.gz MAFYGVYURHFREO-UHFFFAOYSA-N -1 0 346.224 3.873 20 0 EHADRM COc1cccc2c([N-]S(=O)(=O)c3cccnc3Cl)cccc12 ZINC001184880235 1134001720 /nfs/dbraw/zinc/00/17/20/1134001720.db2.gz KOKVYLDWVUICIG-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM Cc1c(=O)[n-]n(-c2ccccc2)c1NC(=O)N[C@H](C)c1ccccc1 ZINC001185053718 1134019000 /nfs/dbraw/zinc/01/90/00/1134019000.db2.gz SHLINEZQBMDWKG-CQSZACIVSA-N -1 0 336.395 3.769 20 0 EHADRM O=S(=O)([N-]c1cnc(Cl)c(C(F)(F)F)c1)c1ccsc1 ZINC001185350513 1134070191 /nfs/dbraw/zinc/07/01/91/1134070191.db2.gz DCMLITMJHKHRED-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM Cc1c(C)c([N-]S(=O)(=O)c2ccsc2)ccc1Br ZINC001185383736 1134076145 /nfs/dbraw/zinc/07/61/45/1134076145.db2.gz GSNJQVZYEKSAKU-UHFFFAOYSA-N -1 0 346.271 3.928 20 0 EHADRM O=S(=O)([N-]c1nc(F)c(F)cc1F)c1cc2ccccc2s1 ZINC001185425726 1134082144 /nfs/dbraw/zinc/08/21/44/1134082144.db2.gz XMCUJXAZJFAVJF-UHFFFAOYSA-N -1 0 344.339 3.514 20 0 EHADRM C[C@@H]1C(=O)CCN(C(=O)C=C([O-])c2ccccc2Cl)C12CCCC2 ZINC001185434032 1134085273 /nfs/dbraw/zinc/08/52/73/1134085273.db2.gz AZBRZCZDSJMJHW-CYBMUJFWSA-N -1 0 347.842 3.663 20 0 EHADRM O=c1[nH]c2ccc([N-]S(=O)(=O)c3cc4ccccc4s3)cc2o1 ZINC001185458874 1134090860 /nfs/dbraw/zinc/09/08/60/1134090860.db2.gz BIXKLXFIQHXGFC-UHFFFAOYSA-N -1 0 346.389 3.549 20 0 EHADRM Cn1ncc2c1cccc2[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185460842 1134092396 /nfs/dbraw/zinc/09/23/96/1134092396.db2.gz YZYSXIVVEMSLOI-UHFFFAOYSA-N -1 0 343.433 3.589 20 0 EHADRM Cn1cnc2cc([N-]S(=O)(=O)c3cc4ccccc4s3)ccc21 ZINC001185460029 1134092503 /nfs/dbraw/zinc/09/25/03/1134092503.db2.gz MUPHYIGQGQQBGO-UHFFFAOYSA-N -1 0 343.433 3.589 20 0 EHADRM O=S(=O)([N-]c1cccc2cnoc21)c1cc2ccccc2s1 ZINC001185464131 1134093056 /nfs/dbraw/zinc/09/30/56/1134093056.db2.gz NAZFEJXNZMGJAY-UHFFFAOYSA-N -1 0 330.390 3.843 20 0 EHADRM Cn1cnc2c1cccc2[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185464436 1134093275 /nfs/dbraw/zinc/09/32/75/1134093275.db2.gz YPPFBVVJDDUBSM-UHFFFAOYSA-N -1 0 343.433 3.589 20 0 EHADRM CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1 ZINC001185525162 1134103167 /nfs/dbraw/zinc/10/31/67/1134103167.db2.gz UFEWMRUBSAELKJ-UHFFFAOYSA-N -1 0 343.807 3.987 20 0 EHADRM CCCCC[C@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000788322417 1134113349 /nfs/dbraw/zinc/11/33/49/1134113349.db2.gz QEILQVZFHRBDJG-LBPRGKRZSA-N -1 0 348.321 3.740 20 0 EHADRM O=S(=O)([N-]c1ccccc1-c1ccccn1)c1ccc(Cl)nc1 ZINC001185679771 1134124336 /nfs/dbraw/zinc/12/43/36/1134124336.db2.gz OZPMJPYHAQQEBG-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM O=C(C[C@H](O)c1ccccc1)Nc1c(Cl)ccc([O-])c1Cl ZINC001185799489 1134134996 /nfs/dbraw/zinc/13/49/96/1134134996.db2.gz CELXOPGWESTGHQ-LBPRGKRZSA-N -1 0 326.179 3.761 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1cnc2c(F)cccc2c1 ZINC001185801805 1134135483 /nfs/dbraw/zinc/13/54/83/1134135483.db2.gz UPKMSEXGEZNDFX-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc2cc(F)cnc21 ZINC001185836224 1134138883 /nfs/dbraw/zinc/13/88/83/1134138883.db2.gz JGVCMPZBDRVRBM-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM COc1cc(F)c(Cl)cc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC001185836151 1134139079 /nfs/dbraw/zinc/13/90/79/1134139079.db2.gz DQRMWPXQJFRAAW-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM O=C(Nc1cn2cc(C(F)(F)F)ccc2n1)c1cccc([S-])c1 ZINC001186130129 1134172402 /nfs/dbraw/zinc/17/24/02/1134172402.db2.gz DDDMPUWFESYJAC-UHFFFAOYSA-N -1 0 337.326 3.894 20 0 EHADRM Cc1cc(S(=O)(=O)N[C@H](c2ccccc2)C2CCCC2)sn1 ZINC001186169874 1134182310 /nfs/dbraw/zinc/18/23/10/1134182310.db2.gz VUCLQERWJVAEGW-MRXNPFEDSA-N -1 0 336.482 3.661 20 0 EHADRM O=S(=O)([N-]c1nccc2cnccc21)c1csc2ccccc21 ZINC001186454639 1134214815 /nfs/dbraw/zinc/21/48/15/1134214815.db2.gz JNGLKSUTQHCDOS-UHFFFAOYSA-N -1 0 341.417 3.645 20 0 EHADRM O=S(=O)([N-]c1cnc2c(cccc2C(F)(F)F)c1)c1ccco1 ZINC001186819892 1134262634 /nfs/dbraw/zinc/26/26/34/1134262634.db2.gz KKXZIVFEGAGIPM-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM CC(C)[C@H](c1ccccc1)N(C)S(=O)(=O)c1cc([O-])cc(F)c1 ZINC001186827362 1134263052 /nfs/dbraw/zinc/26/30/52/1134263052.db2.gz CMMFGCXCQFWZTA-QGZVFWFLSA-N -1 0 337.416 3.549 20 0 EHADRM O=S(=O)([N-]c1cc(F)ccc1OC1CCCCC1)c1ccco1 ZINC001186863120 1134270293 /nfs/dbraw/zinc/27/02/93/1134270293.db2.gz JNSHIINJOWYPFJ-UHFFFAOYSA-N -1 0 339.388 3.931 20 0 EHADRM C[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)C[C@@H](C)C1 ZINC001187163370 1134304404 /nfs/dbraw/zinc/30/44/04/1134304404.db2.gz AGZUYMILVASMMK-MYJAWHEDSA-N -1 0 337.819 3.721 20 0 EHADRM CC(=O)c1cccc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)c1 ZINC001187207222 1134313797 /nfs/dbraw/zinc/31/37/97/1134313797.db2.gz VFKPFHYYPRYIQU-UHFFFAOYSA-N -1 0 335.450 3.630 20 0 EHADRM Cc1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1 ZINC001187422800 1134333220 /nfs/dbraw/zinc/33/32/20/1134333220.db2.gz UITAOJVDXVGKAB-UHFFFAOYSA-N -1 0 347.436 3.747 20 0 EHADRM Cc1oncc1S(=O)(=O)[N-]c1ccc(F)cc1-c1ccccc1 ZINC001187383335 1134334735 /nfs/dbraw/zinc/33/47/35/1134334735.db2.gz RCXHOAAYHREVPK-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM COc1cc(C(=O)[O-])cc(NCc2ccc(Cl)cc2C)c1OC ZINC000789902177 1134347747 /nfs/dbraw/zinc/34/77/47/1134347747.db2.gz LWEBTRWKEAEJGW-UHFFFAOYSA-N -1 0 335.787 3.976 20 0 EHADRM O=S(=O)(/C=C/c1ccccc1Cl)[N-]c1cccc2ocnc21 ZINC000790006359 1134357586 /nfs/dbraw/zinc/35/75/86/1134357586.db2.gz XYUUNCBWAWMOQX-CMDGGOBGSA-N -1 0 334.784 3.894 20 0 EHADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1csc2ccccc12 ZINC000790015092 1134360970 /nfs/dbraw/zinc/36/09/70/1134360970.db2.gz FMHKVQXUERLMCX-LBPRGKRZSA-N -1 0 344.358 3.543 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(N2CCCC2)c(C)c1 ZINC000775156352 1134408341 /nfs/dbraw/zinc/40/83/41/1134408341.db2.gz AKAPMJVRCKEUON-UHFFFAOYSA-N -1 0 348.443 3.844 20 0 EHADRM CC(C)[C@H](NC(=O)c1cccc(Cl)c1[O-])[C@@H](O)c1ccccc1 ZINC000790394877 1134408687 /nfs/dbraw/zinc/40/86/87/1134408687.db2.gz GFTDKZMCJVMKDD-HOTGVXAUSA-N -1 0 333.815 3.534 20 0 EHADRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cccc3c2CCCC3)c1C ZINC000790419237 1134414043 /nfs/dbraw/zinc/41/40/43/1134414043.db2.gz MEVRCMUXWQYLMM-ZDUSSCGKSA-N -1 0 347.484 3.842 20 0 EHADRM CCCc1ccnc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c1 ZINC001188047731 1134414605 /nfs/dbraw/zinc/41/46/05/1134414605.db2.gz JOHGCWRPNBQNPV-UHFFFAOYSA-N -1 0 346.239 3.537 20 0 EHADRM COc1cc(C)cc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c1 ZINC001188068990 1134423178 /nfs/dbraw/zinc/42/31/78/1134423178.db2.gz KGAKIKAEFBATBT-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM O=C(NCc1ccco1)Nc1ccc(Br)cc1[S-] ZINC001188176475 1134436690 /nfs/dbraw/zinc/43/66/90/1134436690.db2.gz QYORZCQGHKFDLA-UHFFFAOYSA-N -1 0 327.203 3.653 20 0 EHADRM O=S(=O)(/C=C/c1cccc(Cl)c1)[N-]c1nccc2ccncc21 ZINC000790644355 1134451075 /nfs/dbraw/zinc/45/10/75/1134451075.db2.gz PFPKNJBVZMXYAT-RMKNXTFCSA-N -1 0 345.811 3.696 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])C(F)(F)C1CCOCC1 ZINC000790838114 1134468407 /nfs/dbraw/zinc/46/84/07/1134468407.db2.gz KZWQHZWQTJNUHM-UHFFFAOYSA-N -1 0 340.153 3.699 20 0 EHADRM O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188588369 1134485399 /nfs/dbraw/zinc/48/53/99/1134485399.db2.gz PESAQRMFLIAULD-GXTWGEPZSA-N -1 0 339.288 3.836 20 0 EHADRM O=S(=O)([N-]c1cccc(F)n1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000775201618 1134511203 /nfs/dbraw/zinc/51/12/03/1134511203.db2.gz MIBHOOOMJALRPS-UHFFFAOYSA-N -1 0 340.379 3.593 20 0 EHADRM O=C(OCCOc1cccc(Cl)c1)c1c(F)cc([O-])cc1F ZINC000746987313 1134516205 /nfs/dbraw/zinc/51/62/05/1134516205.db2.gz OPAKVXLVOYPMGV-UHFFFAOYSA-N -1 0 328.698 3.560 20 0 EHADRM O=C(OCc1cccc(OC(F)F)c1)c1c(F)cc([O-])cc1F ZINC000746988619 1134518728 /nfs/dbraw/zinc/51/87/28/1134518728.db2.gz YVWDLSBAXIUBBT-UHFFFAOYSA-N -1 0 330.233 3.629 20 0 EHADRM C[C@@H](OC(=O)c1ccc([O-])c(Cl)c1)C(=O)c1ccc(F)cc1F ZINC000791291968 1134526032 /nfs/dbraw/zinc/52/60/32/1134526032.db2.gz YVBRLXUZTYSFGT-MRVPVSSYSA-N -1 0 340.709 3.752 20 0 EHADRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)on1 ZINC001189191826 1134550328 /nfs/dbraw/zinc/55/03/28/1134550328.db2.gz UJPZVHAGDBIMIG-LLVKDONJSA-N -1 0 336.413 3.582 20 0 EHADRM CCOc1ccncc1[N-]S(=O)(=O)c1ccc(F)c2ccccc21 ZINC001189357144 1134580512 /nfs/dbraw/zinc/58/05/12/1134580512.db2.gz SXNWEYPYZLBZTC-UHFFFAOYSA-N -1 0 346.383 3.573 20 0 EHADRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)Cc2cccc(F)c2F)on1 ZINC001189420080 1134585725 /nfs/dbraw/zinc/58/57/25/1134585725.db2.gz ODDQKQWLEFSZKC-SNVBAGLBSA-N -1 0 344.383 3.798 20 0 EHADRM Cc1nc2cc([N-]S(=O)(=O)c3c(C)cccc3F)ccc2s1 ZINC000775289129 1134614167 /nfs/dbraw/zinc/61/41/67/1134614167.db2.gz RUNMYGINPZJMSD-UHFFFAOYSA-N -1 0 336.413 3.853 20 0 EHADRM Cc1ccc(C([O-])=CS(=O)(=O)c2ccc(F)cc2Cl)cc1C ZINC001190009943 1134643425 /nfs/dbraw/zinc/64/34/25/1134643425.db2.gz DIBYISXEBBKEOL-UHFFFAOYSA-N -1 0 340.803 3.753 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)cc1 ZINC001190388276 1134689439 /nfs/dbraw/zinc/68/94/39/1134689439.db2.gz SMKSLVCZJWNKNX-UHFFFAOYSA-N -1 0 333.356 3.627 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)N=NC2)c1cc(F)cc(F)c1F ZINC001190395168 1134689945 /nfs/dbraw/zinc/68/99/45/1134689945.db2.gz FOOJANMHOQMKJU-UHFFFAOYSA-N -1 0 327.287 3.502 20 0 EHADRM C[C@H](NS(=O)(=O)c1cc(F)cc(F)c1F)c1ccc(Cl)cc1 ZINC001190402527 1134691696 /nfs/dbraw/zinc/69/16/96/1134691696.db2.gz BKDDOJMBCPGCTE-QMMMGPOBSA-N -1 0 349.761 3.797 20 0 EHADRM O=S(=O)([N-]c1ccccc1OC1CCCCC1)c1ccncc1 ZINC001190896476 1134764777 /nfs/dbraw/zinc/76/47/77/1134764777.db2.gz LZERFTUCVHUUFP-UHFFFAOYSA-N -1 0 332.425 3.594 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cncc(OCC)c2)cc1 ZINC001191233061 1134832287 /nfs/dbraw/zinc/83/22/87/1134832287.db2.gz KDWIAMFZYCXMCV-UHFFFAOYSA-N -1 0 334.441 3.624 20 0 EHADRM Cc1c(=O)[n-]n(-c2ccccc2)c1NC(=O)Nc1cc(F)ccc1C ZINC001191440750 1134867478 /nfs/dbraw/zinc/86/74/78/1134867478.db2.gz STXLNHMEGMSBNC-UHFFFAOYSA-N -1 0 340.358 3.978 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccccc2[S-])nc1 ZINC001191861329 1134929690 /nfs/dbraw/zinc/92/96/90/1134929690.db2.gz HSDVMPXCXQKOHW-UHFFFAOYSA-N -1 0 345.424 3.970 20 0 EHADRM COc1ccc2cc(S(=O)(=O)[N-]c3c(C)cccc3O)ccc2c1 ZINC001191966186 1134952779 /nfs/dbraw/zinc/95/27/79/1134952779.db2.gz JPQHJAOQJIOYHM-UHFFFAOYSA-N -1 0 343.404 3.663 20 0 EHADRM Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3cnsc3)cc2)cc1 ZINC001192065695 1134963704 /nfs/dbraw/zinc/96/37/04/1134963704.db2.gz PVDYNLUHKFWYRE-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM Cc1cc(C)c(C(=O)Nc2ccc3[n-]c(=S)oc3c2)cc1C=O ZINC000793667067 1134979095 /nfs/dbraw/zinc/97/90/95/1134979095.db2.gz PWJRVIVSWLQXOJ-UHFFFAOYSA-N -1 0 326.377 3.798 20 0 EHADRM Cc1ccnc2c([N-]S(=O)(=O)c3cnc(Cl)cc3C)cccc12 ZINC001192357792 1135005623 /nfs/dbraw/zinc/00/56/23/1135005623.db2.gz LEOAOPDUMWLMOJ-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM O=C([N-]OCc1cccnc1)C1(c2c(Cl)cccc2Cl)CC1 ZINC000747170158 1135013775 /nfs/dbraw/zinc/01/37/75/1135013775.db2.gz OTCMBVLTFCJVJM-UHFFFAOYSA-N -1 0 337.206 3.668 20 0 EHADRM CSCCO[N-]C(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000794191367 1135025715 /nfs/dbraw/zinc/02/57/15/1135025715.db2.gz BPUKTHQGPLQVDD-INIZCTEOSA-N -1 0 333.478 3.931 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)ccc1Cl ZINC001192568563 1135030432 /nfs/dbraw/zinc/03/04/32/1135030432.db2.gz YKZMQRZFJUVDEJ-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM O=C(N[C@H](c1ccccc1)c1ccncc1)c1c(F)ccc(F)c1[O-] ZINC001192716004 1135051460 /nfs/dbraw/zinc/05/14/60/1135051460.db2.gz CVZHRXYTSTXKBG-QGZVFWFLSA-N -1 0 340.329 3.585 20 0 EHADRM O=C(Nc1ccccc1-c1ccncc1)c1c([O-])ccc(F)c1F ZINC001192768919 1135052954 /nfs/dbraw/zinc/05/29/54/1135052954.db2.gz GNURRSBJBMQVGV-UHFFFAOYSA-N -1 0 326.302 3.985 20 0 EHADRM CC(C)(CNC(=O)c1c([O-])ccc(F)c1F)c1c[nH]c2ccccc21 ZINC001192785117 1135054428 /nfs/dbraw/zinc/05/44/28/1135054428.db2.gz FFLHCQVEEKSMAW-UHFFFAOYSA-N -1 0 344.361 3.859 20 0 EHADRM COc1ccc(-n2cccc2)c(NC(=O)c2ccc(F)c(F)c2[O-])c1 ZINC001192811701 1135058532 /nfs/dbraw/zinc/05/85/32/1135058532.db2.gz WTRQDXZADKXJOF-UHFFFAOYSA-N -1 0 344.317 3.722 20 0 EHADRM CCC(=O)c1cccc([N-]S(=O)(=O)c2cc(CC)ccc2OC)c1 ZINC001192819218 1135058974 /nfs/dbraw/zinc/05/89/74/1135058974.db2.gz WGWBTZWKNSGBPY-UHFFFAOYSA-N -1 0 347.436 3.651 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cccc3occc32)c1 ZINC001192817298 1135059141 /nfs/dbraw/zinc/05/91/41/1135059141.db2.gz FKBZCAJQYCGIEW-UHFFFAOYSA-N -1 0 331.393 3.805 20 0 EHADRM O=C(N[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1)c1ccc([O-])c(F)c1F ZINC001192849161 1135064789 /nfs/dbraw/zinc/06/47/89/1135064789.db2.gz JSHGILUJNLWWCY-LTGQISBOSA-N -1 0 343.373 3.983 20 0 EHADRM O=C(N[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1)c1cc(F)c([O-])cc1F ZINC001192888328 1135068509 /nfs/dbraw/zinc/06/85/09/1135068509.db2.gz VHSUZHCMKSTTCE-YRQNITAISA-N -1 0 343.373 3.983 20 0 EHADRM O=C(Nc1ccc2ncnc(Cl)c2c1)c1cc(F)c([O-])cc1F ZINC001192879727 1135074386 /nfs/dbraw/zinc/07/43/86/1135074386.db2.gz MBSATBBYRBPXFV-UHFFFAOYSA-N -1 0 335.697 3.519 20 0 EHADRM O=S(=O)(CC1CCC1)[N-]c1cc(-c2ccc(Cl)s2)on1 ZINC001193478939 1135141807 /nfs/dbraw/zinc/14/18/07/1135141807.db2.gz OJNKBCYYTAFVBT-UHFFFAOYSA-N -1 0 332.834 3.598 20 0 EHADRM CC(C)Oc1ccc(C(=O)Nc2ncccc2O)cc1C(F)(F)F ZINC001193710117 1135176806 /nfs/dbraw/zinc/17/68/06/1135176806.db2.gz QBHLREJRMWOIEG-UHFFFAOYSA-N -1 0 340.301 3.846 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cn(C3CCC3)cn2)c2ccccc12 ZINC001193833819 1135191080 /nfs/dbraw/zinc/19/10/80/1135191080.db2.gz HVRWGIVTTIMWPR-UHFFFAOYSA-N -1 0 341.436 3.871 20 0 EHADRM COCCCO[N-]C(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl ZINC000805038626 1135227882 /nfs/dbraw/zinc/22/78/82/1135227882.db2.gz AWYNFFSMOGLPRV-SECBINFHSA-N -1 0 338.256 3.558 20 0 EHADRM CCc1cc([N-]S(=O)(=O)c2ccc(-c3cccs3)cc2)on1 ZINC001194145231 1135233117 /nfs/dbraw/zinc/23/31/17/1135233117.db2.gz CMNLGBWUQXHGRV-UHFFFAOYSA-N -1 0 334.422 3.766 20 0 EHADRM CCCCCCOC(=O)Nc1c(C)cc(C)cc1S(=O)(=O)[O-] ZINC001194185766 1135234372 /nfs/dbraw/zinc/23/43/72/1135234372.db2.gz RXQSBKCOVYCNMA-UHFFFAOYSA-N -1 0 329.418 3.679 20 0 EHADRM O=S(=O)([N-]c1cncc(F)c1)c1ccc(-c2cccs2)cc1 ZINC001194142658 1135239111 /nfs/dbraw/zinc/23/91/11/1135239111.db2.gz VNUBOMRBWLBKPP-UHFFFAOYSA-N -1 0 334.397 3.750 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)C1=NO[C@H](c2ccccc2)C1 ZINC000805254856 1135253296 /nfs/dbraw/zinc/25/32/96/1135253296.db2.gz HUZJDKDCMVQWEE-HNNXBMFYSA-N -1 0 334.734 3.641 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cc2nccnc2cc1F ZINC000805254588 1135253715 /nfs/dbraw/zinc/25/37/15/1135253715.db2.gz AYRQXDIPKLYLPA-UHFFFAOYSA-N -1 0 335.697 3.519 20 0 EHADRM CN(C)c1ccc(CCC(=O)Nc2cc(Cl)c([O-])cc2F)cc1 ZINC000805260470 1135254782 /nfs/dbraw/zinc/25/47/82/1135254782.db2.gz UDJAZIVWCNCCLN-UHFFFAOYSA-N -1 0 336.794 3.822 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cc(F)c(F)c(F)c1F ZINC000805259712 1135254800 /nfs/dbraw/zinc/25/48/00/1135254800.db2.gz VFYAQTRRSCMXIF-UHFFFAOYSA-N -1 0 337.631 3.993 20 0 EHADRM O=C(Nc1ccccc1[S-])c1cccn(-c2ccc(F)cc2)c1=O ZINC001194516644 1135275649 /nfs/dbraw/zinc/27/56/49/1135275649.db2.gz SYHTYTMRASYFIB-UHFFFAOYSA-N -1 0 340.379 3.518 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cc1)c1ncccc1C(F)(F)F ZINC001194523984 1135280714 /nfs/dbraw/zinc/28/07/14/1135280714.db2.gz AOCOVCFVNOMXEJ-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM COc1ccc(OC(=O)Nc2c(C)c(=O)[n-]n2-c2ccccc2)cc1 ZINC001194570000 1135287340 /nfs/dbraw/zinc/28/73/40/1135287340.db2.gz RDVKZNUFPUTFRN-UHFFFAOYSA-N -1 0 339.351 3.506 20 0 EHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1cc(C)c2ccccc2n1 ZINC001194604261 1135291378 /nfs/dbraw/zinc/29/13/78/1135291378.db2.gz BJVQOTZLWCPEFH-UHFFFAOYSA-N -1 0 326.421 3.961 20 0 EHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1cncc(C(F)(F)F)c1 ZINC001194604275 1135291522 /nfs/dbraw/zinc/29/15/22/1135291522.db2.gz DJRQJSSDHAYULX-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM COc1ccc2cccnc2c1[N-]S(=O)(=O)c1c(C)cccc1C ZINC001194643409 1135296650 /nfs/dbraw/zinc/29/66/50/1135296650.db2.gz VDVNUCRLLQXMJZ-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM CC(C)(C)c1cccc([N-]S(=O)(=O)c2cccc3nccnc32)c1 ZINC001194978993 1135349487 /nfs/dbraw/zinc/34/94/87/1135349487.db2.gz VMHWQBVOSAQNBA-UHFFFAOYSA-N -1 0 341.436 3.728 20 0 EHADRM CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cccc(Cl)c1[O-] ZINC000775643058 1135381825 /nfs/dbraw/zinc/38/18/25/1135381825.db2.gz LCKOMUGIAQQCSR-UHFFFAOYSA-N -1 0 341.741 3.919 20 0 EHADRM O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1cccc(Cl)c1[O-] ZINC000775645424 1135392175 /nfs/dbraw/zinc/39/21/75/1135392175.db2.gz LGMQWUUWRKHRDI-UHFFFAOYSA-N -1 0 330.771 3.646 20 0 EHADRM O=C(c1ccccc1)C1CCN(C(=O)c2cccc(Cl)c2[O-])CC1 ZINC000775645831 1135396070 /nfs/dbraw/zinc/39/60/70/1135396070.db2.gz RKQOFZOAOLAGHG-UHFFFAOYSA-N -1 0 343.810 3.781 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cccc2cnccc21 ZINC001195267500 1135401628 /nfs/dbraw/zinc/40/16/28/1135401628.db2.gz CUZINZZIMPEEOI-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM O=C(Nc1ccc(C2CCC2)nc1)c1c([O-])c(F)c(F)c(F)c1F ZINC001195289757 1135407531 /nfs/dbraw/zinc/40/75/31/1135407531.db2.gz ALLMBFOXUBRNDG-UHFFFAOYSA-N -1 0 340.276 3.863 20 0 EHADRM O=C(NC(=S)Nc1ccc2[n-]c(=S)sc2c1)c1ccccc1 ZINC001195415459 1135420560 /nfs/dbraw/zinc/42/05/60/1135420560.db2.gz JCMCINQBKVHPIN-UHFFFAOYSA-N -1 0 345.474 3.712 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3cn[nH]c3)c2)c1Cl ZINC000775676880 1135503584 /nfs/dbraw/zinc/50/35/84/1135503584.db2.gz OHJMPCFIUJULIT-UHFFFAOYSA-N -1 0 347.827 3.839 20 0 EHADRM O=C(C=Cc1cc(Cl)cc(Cl)c1)[N-]S(=O)(=O)CCCF ZINC000080315435 1135515541 /nfs/dbraw/zinc/51/55/41/1135515541.db2.gz BFOQEURVJBGCFF-NSCUHMNNSA-N -1 0 340.203 3.653 20 0 EHADRM COc1ccc([C@H]2CCN(C(=O)c3cccc(Cl)c3[O-])C2)cc1 ZINC000775689477 1135529158 /nfs/dbraw/zinc/52/91/58/1135529158.db2.gz JRBJOWFKCCVMFH-ZDUSSCGKSA-N -1 0 331.799 3.684 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnc(CC(C)C)cc2C)c(F)c1 ZINC001196353947 1135550896 /nfs/dbraw/zinc/55/08/96/1135550896.db2.gz LICBQQSCMYVURL-UHFFFAOYSA-N -1 0 336.432 3.837 20 0 EHADRM O=C(Nc1cncc(-c2ccccc2)c1)c1cc(Cl)ncc1[O-] ZINC001196390111 1135553760 /nfs/dbraw/zinc/55/37/60/1135553760.db2.gz XEZAEVYSMGNLNW-UHFFFAOYSA-N -1 0 325.755 3.755 20 0 EHADRM CC(=O)c1ccc2c(c1)CN(C(=O)c1cc(Cl)c(F)cc1[O-])CC2 ZINC001196465804 1135563708 /nfs/dbraw/zinc/56/37/08/1135563708.db2.gz CZXQUYOQQPMXAC-UHFFFAOYSA-N -1 0 347.773 3.586 20 0 EHADRM CN(CC/C=C/c1cccnc1)C(=O)c1cc(Cl)c(F)cc1[O-] ZINC001196466809 1135564139 /nfs/dbraw/zinc/56/41/39/1135564139.db2.gz LHBIBLWRKRHIBO-GORDUTHDSA-N -1 0 334.778 3.755 20 0 EHADRM CC1(C)OCCC12CCN(C(=O)c1cc(Cl)c(F)cc1[O-])CC2 ZINC001196467583 1135564345 /nfs/dbraw/zinc/56/43/45/1135564345.db2.gz RZEISOKQMZBVRU-UHFFFAOYSA-N -1 0 341.810 3.606 20 0 EHADRM Cc1cc2c(ncnc2NC(=O)c2cc(Cl)c(F)cc2[O-])s1 ZINC001196453254 1135569321 /nfs/dbraw/zinc/56/93/21/1135569321.db2.gz LSFBBDNTMCPLIF-UHFFFAOYSA-N -1 0 337.763 3.750 20 0 EHADRM O=C(Nc1ccc(F)c(O)c1)c1ccc(N2CCCCCC2=O)cc1 ZINC001196516725 1135572772 /nfs/dbraw/zinc/57/27/72/1135572772.db2.gz TVFJAGHJWGOISL-UHFFFAOYSA-N -1 0 342.370 3.691 20 0 EHADRM COc1ccc(F)c(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)c1 ZINC001196779329 1135614943 /nfs/dbraw/zinc/61/49/43/1135614943.db2.gz RABUAODYDDOYGZ-UHFFFAOYSA-N -1 0 339.363 3.652 20 0 EHADRM CCS(=O)(=O)c1ccc(O)c(NC2=CC[C@H](C(F)(F)F)CC2)c1 ZINC001196886106 1135621382 /nfs/dbraw/zinc/62/13/82/1135621382.db2.gz CKICVNCPERZFMT-JTQLQIEISA-N -1 0 349.374 3.844 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N2CCc3cc(Cl)ccc3C2)cc1 ZINC001197097073 1135645485 /nfs/dbraw/zinc/64/54/85/1135645485.db2.gz WWXVCGJRTIQRJI-UHFFFAOYSA-N -1 0 346.839 3.793 20 0 EHADRM Cc1ccc(C)c(CCNC(=S)Nc2ccc(C(=O)[O-])cc2)c1 ZINC001197069329 1135646984 /nfs/dbraw/zinc/64/69/84/1135646984.db2.gz GVAOIEQOCJCZKK-UHFFFAOYSA-N -1 0 328.437 3.531 20 0 EHADRM CSc1cccc(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1F ZINC001197106805 1135650308 /nfs/dbraw/zinc/65/03/08/1135650308.db2.gz CAFKOZCVWHSKPQ-UHFFFAOYSA-N -1 0 343.383 3.691 20 0 EHADRM C[C@@H]1CN(C(=O)c2cccc(Cl)c2[O-])[C@@H](c2ccccc2)CO1 ZINC000775766545 1135668587 /nfs/dbraw/zinc/66/85/87/1135668587.db2.gz YYWFERIDEVOEHO-MLGOLLRUSA-N -1 0 331.799 3.648 20 0 EHADRM O=C(Nc1c(Cl)ccc([O-])c1Cl)c1cnn(-c2cccnc2)c1 ZINC001197576177 1135702367 /nfs/dbraw/zinc/70/23/67/1135702367.db2.gz OAEMCWWMFGKMTE-UHFFFAOYSA-N -1 0 349.177 3.532 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2Cl)c1 ZINC001198004191 1135761100 /nfs/dbraw/zinc/76/11/00/1135761100.db2.gz APVKCKIPKGITGZ-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2cc(C)cc(Cl)c2Cl)c1 ZINC001198012031 1135761737 /nfs/dbraw/zinc/76/17/37/1135761737.db2.gz NQRNKSLLYJBYPM-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM Cc1c(Cl)cc(NC(=O)c2ccc(N(C)C)cn2)c([O-])c1Cl ZINC001198135990 1135775236 /nfs/dbraw/zinc/77/52/36/1135775236.db2.gz GVXBLBLNAXNLLY-UHFFFAOYSA-N -1 0 340.210 3.721 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(F)cc3)cc2)cn1 ZINC001198265747 1135788126 /nfs/dbraw/zinc/78/81/26/1135788126.db2.gz KAXBBHHYMWTGHJ-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM O=S(=O)([N-]c1ccccc1-c1ccccn1)c1cccc(Cl)n1 ZINC001198231068 1135789051 /nfs/dbraw/zinc/78/90/51/1135789051.db2.gz HNBVJIQVHBXFPA-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC000081668921 1135807200 /nfs/dbraw/zinc/80/72/00/1135807200.db2.gz LMWFPCZYZWXERK-UHFFFAOYSA-N -1 0 349.264 3.911 20 0 EHADRM O=S(=O)([N-]c1ncccc1F)c1ccccc1Oc1ccccc1 ZINC001198442602 1135820519 /nfs/dbraw/zinc/82/05/19/1135820519.db2.gz CLVDRBDWWTXFMZ-UHFFFAOYSA-N -1 0 344.367 3.814 20 0 EHADRM O=C([O-])c1c(F)cc(Nc2snnc2-c2ccccc2)cc1F ZINC001203318672 1135876622 /nfs/dbraw/zinc/87/66/22/1135876622.db2.gz HHAXBKYISARZFP-UHFFFAOYSA-N -1 0 333.319 3.925 20 0 EHADRM O=C([O-])c1c(F)cc(Nc2csc(Br)n2)cc1F ZINC001203318875 1135879575 /nfs/dbraw/zinc/87/95/75/1135879575.db2.gz KYWZPFAHUNLVAK-UHFFFAOYSA-N -1 0 335.129 3.626 20 0 EHADRM CC[C@H](C)[C@H](C)C(=O)Nc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC001131875672 1135889818 /nfs/dbraw/zinc/88/98/18/1135889818.db2.gz BCJSJXVAQBJOOX-UWVGGRQHSA-N -1 0 348.340 3.625 20 0 EHADRM O=C([O-])c1cc(Cl)c(-c2nccnc2OC(F)F)c(Cl)c1 ZINC001244515351 1135944572 /nfs/dbraw/zinc/94/45/72/1135944572.db2.gz PRPNGGKWFNFBIU-UHFFFAOYSA-N -1 0 335.093 3.750 20 0 EHADRM Cc1cc(=O)c(COC(=O)c2ccc(C(C)(C)C)c(Cl)c2)n[n-]1 ZINC000810691819 1135997163 /nfs/dbraw/zinc/99/71/63/1135997163.db2.gz HCUMFCSKXZRGBR-UHFFFAOYSA-N -1 0 334.803 3.799 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)cn1 ZINC001201244151 1135998743 /nfs/dbraw/zinc/99/87/43/1135998743.db2.gz BZEAUBWFKFXRBY-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CC(C)C[C@@H](Nc1nc(-c2cccnc2)nc2ccccc21)C(=O)[O-] ZINC000005522462 1136002037 /nfs/dbraw/zinc/00/20/37/1136002037.db2.gz CGADHKHMHUUHAB-MRXNPFEDSA-N -1 0 336.395 3.603 20 0 EHADRM Cn1ncc2c1cccc2C(=O)Nc1ccc2[n-]c(=S)sc2c1 ZINC001201298006 1136004100 /nfs/dbraw/zinc/00/41/00/1136004100.db2.gz YHOLNONNEOWPLO-UHFFFAOYSA-N -1 0 340.433 3.724 20 0 EHADRM Cc1ccccc1Oc1cccc(S(=O)(=O)[N-]c2ccccn2)c1 ZINC001201570479 1136041625 /nfs/dbraw/zinc/04/16/25/1136041625.db2.gz APWNOJGOPXPXSN-UHFFFAOYSA-N -1 0 340.404 3.983 20 0 EHADRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1ccnc(C2CCC2)c1 ZINC001201735791 1136062135 /nfs/dbraw/zinc/06/21/35/1136062135.db2.gz KWASWAFUXXHGMJ-UHFFFAOYSA-N -1 0 343.861 3.568 20 0 EHADRM Cc1ccc2c(c1)/C(=C/c1cccc(C(=O)[O-])c1Cl)C(=O)N2C ZINC000811698859 1136127565 /nfs/dbraw/zinc/12/75/65/1136127565.db2.gz NYQQLTZQNXVKGW-ZROIWOOFSA-N -1 0 327.767 3.864 20 0 EHADRM CCS[C@@H]1CCC[C@H](NC(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000811821724 1136145570 /nfs/dbraw/zinc/14/55/70/1136145570.db2.gz OIZOQIIECKJXDN-NWDGAFQWSA-N -1 0 341.860 3.832 20 0 EHADRM O=C([N-]OC/C=C/Cl)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000812401111 1136201662 /nfs/dbraw/zinc/20/16/62/1136201662.db2.gz VFLDHACJEPDDNC-DAFODLJHSA-N -1 0 337.700 3.676 20 0 EHADRM O=C(OCc1cncc(C(F)(F)F)c1)c1cc([S-])ccc1F ZINC000812596173 1136226175 /nfs/dbraw/zinc/22/61/75/1136226175.db2.gz FGCBIXDKSJNLQE-UHFFFAOYSA-N -1 0 331.290 3.885 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CCc2ccc(N(C)C)cc2)c1 ZINC000812707250 1136236042 /nfs/dbraw/zinc/23/60/42/1136236042.db2.gz CJUFKFQBKCIJCJ-UHFFFAOYSA-N -1 0 340.423 3.622 20 0 EHADRM O=C(Cc1csc(-c2ccc(Cl)s2)n1)[N-]OC1CCC1 ZINC000812790747 1136247628 /nfs/dbraw/zinc/24/76/28/1136247628.db2.gz GGQZZADVOSHEBX-UHFFFAOYSA-N -1 0 328.846 3.668 20 0 EHADRM CON(Cc1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1[O-] ZINC000812798528 1136252584 /nfs/dbraw/zinc/25/25/84/1136252584.db2.gz WPFANPIXMRYDAH-UHFFFAOYSA-N -1 0 326.179 3.903 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000850739331 1136298282 /nfs/dbraw/zinc/29/82/82/1136298282.db2.gz IISAHIKWFXGTQF-FVQHAEBGSA-N -1 0 347.480 3.585 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000814015474 1136386496 /nfs/dbraw/zinc/38/64/96/1136386496.db2.gz XEWFPYBXRULWOQ-HLLBOEOZSA-N -1 0 337.485 3.800 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C(C)(C)c1ccccc1 ZINC000814016810 1136386741 /nfs/dbraw/zinc/38/67/41/1136386741.db2.gz PWNXOKOVOOXQNO-KRWDZBQOSA-N -1 0 345.464 3.562 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCCC1CCCC1 ZINC000814015419 1136386866 /nfs/dbraw/zinc/38/68/66/1136386866.db2.gz FGZZQKPPDRBGGX-QGZVFWFLSA-N -1 0 337.485 3.944 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cc(C(C)C)oc1C ZINC000814022269 1136387652 /nfs/dbraw/zinc/38/76/52/1136387652.db2.gz NLVOLDBUTKUVSE-QGZVFWFLSA-N -1 0 349.452 3.922 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(/C=C/C(=O)[O-])o2)CC[C@H]1c1ccccc1 ZINC000851595116 1136395393 /nfs/dbraw/zinc/39/53/93/1136395393.db2.gz MTRUBFQDHPXMFW-XXQHSVDTSA-N -1 0 339.391 3.643 20 0 EHADRM CCCN(CCc1cccs1)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851604768 1136395628 /nfs/dbraw/zinc/39/56/28/1136395628.db2.gz AUAUEJLFFXAHOJ-SOFGYWHQSA-N -1 0 333.409 3.534 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)c1ccc(SC(F)F)cc1 ZINC000851703209 1136399975 /nfs/dbraw/zinc/39/99/75/1136399975.db2.gz QBXVTEKGBAXERC-UHFFFAOYSA-N -1 0 331.384 3.574 20 0 EHADRM CCOC(=O)c1[n-]c(NC(=O)c2ccc(C(C)C)cc2)nc1Cl ZINC001134100859 1136406788 /nfs/dbraw/zinc/40/67/88/1136406788.db2.gz LJVANQZOJBCHEG-UHFFFAOYSA-N -1 0 335.791 3.616 20 0 EHADRM C/C(=C/C(=O)N([C@@H](C)C(=O)[O-])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000776618878 1136482406 /nfs/dbraw/zinc/48/24/06/1136482406.db2.gz FHMZLCGYQMRYMA-JUDLJHIGSA-N -1 0 341.329 3.573 20 0 EHADRM Cc1ccc(COc2cccc(NC(=O)C3(C(=O)[O-])CCC3)c2)cc1 ZINC000852948240 1136493743 /nfs/dbraw/zinc/49/37/43/1136493743.db2.gz ZDFIIKQOLTYFSC-UHFFFAOYSA-N -1 0 339.391 3.767 20 0 EHADRM CC(C)(C)c1ncsc1C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000776631574 1136494274 /nfs/dbraw/zinc/49/42/74/1136494274.db2.gz LEJCFKIRXPXBEZ-TWGQIWQCSA-N -1 0 330.409 3.791 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@H]1c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000852953395 1136494399 /nfs/dbraw/zinc/49/43/99/1136494399.db2.gz OCTXPHXZXHEDTR-XEIOYGOASA-N -1 0 343.467 3.822 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CC1CCCCC1)c1ccc(F)cc1F ZINC000776653595 1136523576 /nfs/dbraw/zinc/52/35/76/1136523576.db2.gz IDNGUXWACOPKKR-OAHLLOKOSA-N -1 0 325.355 3.567 20 0 EHADRM Cc1ccc(CCC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2F)cc1 ZINC000776655582 1136526090 /nfs/dbraw/zinc/52/60/90/1136526090.db2.gz XQFDMVFBBIRQES-QGZVFWFLSA-N -1 0 347.361 3.538 20 0 EHADRM C/C(=C/C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1F)C(C)(C)C ZINC000776655584 1136526130 /nfs/dbraw/zinc/52/61/30/1136526130.db2.gz XQKPTOLEIFEKSD-JKEYDSJLSA-N -1 0 325.355 3.589 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000776659547 1136529326 /nfs/dbraw/zinc/52/93/26/1136529326.db2.gz GAVXXSJFFXSWHN-HSMVNMDESA-N -1 0 339.382 3.813 20 0 EHADRM FC(F)(F)c1cc(Cl)c(=NOC[C@H]2CCOC2)[n-]c1Cl ZINC000853525475 1136541018 /nfs/dbraw/zinc/54/10/18/1136541018.db2.gz WPGQWPVLANTMMN-LURJTMIESA-N -1 0 331.121 3.787 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-])C1CC1 ZINC000776683085 1136545447 /nfs/dbraw/zinc/54/54/47/1136545447.db2.gz IZYAHSBEASJBMW-XPTSAGLGSA-N -1 0 344.238 3.542 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCCSC[C@@H]1C(F)(F)F ZINC001135018953 1136592622 /nfs/dbraw/zinc/59/26/22/1136592622.db2.gz PIAKDFLHLMRJNU-SNVBAGLBSA-N -1 0 339.766 3.556 20 0 EHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCC[C@@H](c2ccncc2)C1 ZINC000854455234 1136617803 /nfs/dbraw/zinc/61/78/03/1136617803.db2.gz NPAFXVQTAVKLKT-CQSZACIVSA-N -1 0 339.420 3.531 20 0 EHADRM Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(C(=O)C(C)(C)C)cc1 ZINC000776747653 1136624438 /nfs/dbraw/zinc/62/44/38/1136624438.db2.gz IQANPAIQIDPXKX-UHFFFAOYSA-N -1 0 347.436 3.730 20 0 EHADRM Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc([O-])c(Cl)c2)cc1C ZINC000854604598 1136630982 /nfs/dbraw/zinc/63/09/82/1136630982.db2.gz ACKDOXDATSGYJY-LBPRGKRZSA-N -1 0 347.798 3.846 20 0 EHADRM C[C@@](O)(C(=O)Nc1ccc2[n-]c(=S)oc2c1)c1ccc(Cl)cc1 ZINC000815815106 1136640040 /nfs/dbraw/zinc/64/00/40/1136640040.db2.gz LMPKIBOOBWCVPJ-INIZCTEOSA-N -1 0 348.811 3.616 20 0 EHADRM O=Cc1c[nH]c(C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)c1 ZINC000815919878 1136653505 /nfs/dbraw/zinc/65/35/05/1136653505.db2.gz QICVAMITZZFOPH-UHFFFAOYSA-N -1 0 333.558 3.745 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)n1 ZINC001135308695 1136656587 /nfs/dbraw/zinc/65/65/87/1136656587.db2.gz JXLRVDWCTBKVHF-UXIGCNINSA-N -1 0 345.418 3.580 20 0 EHADRM CCCc1occc1C(=O)[N-]S(=O)(=O)[C@H](c1ccccc1)C(C)C ZINC000816106163 1136673976 /nfs/dbraw/zinc/67/39/76/1136673976.db2.gz FNUHHIFVSZSSJI-KRWDZBQOSA-N -1 0 349.452 3.689 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)/C=C1\CC[C@@H](C)C1 ZINC000816113018 1136677570 /nfs/dbraw/zinc/67/75/70/1136677570.db2.gz IIBVGTRQDOIVFM-KELDPCHWSA-N -1 0 335.469 3.576 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000113696748 1136734474 /nfs/dbraw/zinc/73/44/74/1136734474.db2.gz RXJRPHFENAGGPF-MSOLQXFVSA-N -1 0 345.464 3.578 20 0 EHADRM CC(C)c1nc(CCNC(=O)c2ccc3oc(=S)[n-]c3c2)cs1 ZINC000816916151 1136765514 /nfs/dbraw/zinc/76/55/14/1136765514.db2.gz XHHTUGVVRRUFMY-UHFFFAOYSA-N -1 0 347.465 3.669 20 0 EHADRM CC[C@@H](C)CO[N-]C(=O)COC(c1ccccc1)c1ccccc1 ZINC000816978455 1136769392 /nfs/dbraw/zinc/76/93/92/1136769392.db2.gz ULZBHUYUGDCCOQ-MRXNPFEDSA-N -1 0 327.424 3.887 20 0 EHADRM O=C([N-]CC1(c2ccccc2Br)CCC1)C(F)(F)F ZINC000816984065 1136770048 /nfs/dbraw/zinc/77/00/48/1136770048.db2.gz TWVLEZJSBIPCOW-UHFFFAOYSA-N -1 0 336.151 3.549 20 0 EHADRM CC1(C)Cc2c(cccc2Br)[C@@H]1[N-]C(=O)C(F)(F)F ZINC000817018638 1136770893 /nfs/dbraw/zinc/77/08/93/1136770893.db2.gz PCGCOPHTFLHKEA-JTQLQIEISA-N -1 0 336.151 3.751 20 0 EHADRM CCc1ccc([C@H]2CCN(C(=O)c3n[n-]c4ccccc4c3=O)C2)cc1 ZINC000817101224 1136776346 /nfs/dbraw/zinc/77/63/46/1136776346.db2.gz FTQGUWYXBMURED-INIZCTEOSA-N -1 0 347.418 3.528 20 0 EHADRM Cc1ccc(NC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])c(F)c1 ZINC001135883269 1136798818 /nfs/dbraw/zinc/79/88/18/1136798818.db2.gz DXYQDGMVEUMSNJ-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM O=C([N-]OCC1CC1)C1(c2ccc(Br)cc2)CCCC1 ZINC000817329977 1136799022 /nfs/dbraw/zinc/79/90/22/1136799022.db2.gz GWBMOFCXAGXBLW-UHFFFAOYSA-N -1 0 338.245 3.719 20 0 EHADRM O=C(Cc1csc(-c2ccccc2Cl)n1)[N-]OCCC1CC1 ZINC000817379141 1136801108 /nfs/dbraw/zinc/80/11/08/1136801108.db2.gz JCCSEJIHMHIJSR-UHFFFAOYSA-N -1 0 336.844 3.854 20 0 EHADRM C[C@@H](NC(=O)CC1(CC(=O)[O-])CCC1)c1nc2ccccc2s1 ZINC000817572595 1136821427 /nfs/dbraw/zinc/82/14/27/1136821427.db2.gz TZECTAHFWDVMOJ-LLVKDONJSA-N -1 0 332.425 3.509 20 0 EHADRM O=C([O-])[C@]12CN(C(=O)/C=C/c3ccc(Cl)s3)C[C@H]1CCCC2 ZINC000856994384 1136831184 /nfs/dbraw/zinc/83/11/84/1136831184.db2.gz NKOQDKWHNMEVCG-BCJLSBFOSA-N -1 0 339.844 3.518 20 0 EHADRM O=C([N-][C@H](c1nccs1)C(F)(F)F)C(F)(F)c1ccccc1 ZINC000818322306 1136870787 /nfs/dbraw/zinc/87/07/87/1136870787.db2.gz MRVOXURHCLULHU-SECBINFHSA-N -1 0 336.285 3.655 20 0 EHADRM C[C@H]1CCC[C@@H](NC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])C1 ZINC001136204136 1136929158 /nfs/dbraw/zinc/92/91/58/1136929158.db2.gz FLIXJVJANXFSEF-WCQYABFASA-N -1 0 333.819 3.540 20 0 EHADRM C[C@H]1CCC[C@H](NC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])C1 ZINC001136204399 1136929449 /nfs/dbraw/zinc/92/94/49/1136929449.db2.gz NDBULQLPLBUTHD-AAEUAGOBSA-N -1 0 333.819 3.540 20 0 EHADRM O=c1cc(-c2cccc(Br)c2)[n-]n1-c1ccnc(F)c1 ZINC001245928887 1136950381 /nfs/dbraw/zinc/95/03/81/1136950381.db2.gz KTUASQBBSJANSQ-UHFFFAOYSA-N -1 0 334.148 3.542 20 0 EHADRM Cc1ccc(OCCCCNC(=O)c2cc(F)cc(F)c2[O-])cc1 ZINC001136272367 1136964908 /nfs/dbraw/zinc/96/49/08/1136964908.db2.gz DXZACXZAHVRYCX-UHFFFAOYSA-N -1 0 335.350 3.568 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)N3CCC4(CCCC4)C3)c([O-])c2)o1 ZINC000820384770 1136989751 /nfs/dbraw/zinc/98/97/51/1136989751.db2.gz BLRVPMHSBQKYCC-UHFFFAOYSA-N -1 0 339.391 3.871 20 0 EHADRM COc1cccc(C(C)=CC(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)c1 ZINC000820465568 1136994106 /nfs/dbraw/zinc/99/41/06/1136994106.db2.gz NMTVMNVQCUUVLJ-QBFSEMIESA-N -1 0 349.390 3.833 20 0 EHADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)c1nc(C2C(C)(C)C2(C)C)no1 ZINC000858845718 1136994243 /nfs/dbraw/zinc/99/42/43/1136994243.db2.gz OOTQYFNBMJAVAA-QMMMGPOBSA-N -1 0 333.354 3.595 20 0 EHADRM O=C(Nc1ccc2oc(CO)cc2c1)c1ccc2[n-]c(=S)oc2c1 ZINC000820487570 1136994765 /nfs/dbraw/zinc/99/47/65/1136994765.db2.gz PBGXWMIGPKLCOK-UHFFFAOYSA-N -1 0 340.360 3.607 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H](C)c2ccccc2C)cc1C ZINC000116590980 1137005587 /nfs/dbraw/zinc/00/55/87/1137005587.db2.gz UQTFTDOYJNPIRS-MRXNPFEDSA-N -1 0 345.464 3.611 20 0 EHADRM O=S(=O)([N-]c1ccc2nc(Cl)sc2c1)c1cccs1 ZINC000821097373 1137018438 /nfs/dbraw/zinc/01/84/38/1137018438.db2.gz SGYHDAPELQRGAU-UHFFFAOYSA-N -1 0 330.843 3.812 20 0 EHADRM O=C(NCCc1c[nH]c2cc(F)ccc12)c1ccc(Cl)c([O-])c1 ZINC001136494360 1137037256 /nfs/dbraw/zinc/03/72/56/1137037256.db2.gz FGPNYYHPTONAIL-UHFFFAOYSA-N -1 0 332.762 3.639 20 0 EHADRM C[C@@H](CC(F)(F)F)NC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000821989392 1137045243 /nfs/dbraw/zinc/04/52/43/1137045243.db2.gz ILEMDAOPYIQTCJ-VIFPVBQESA-N -1 0 341.285 3.535 20 0 EHADRM CC[C@@H]1CCc2[nH]c(=O)c(C(=O)Nc3ccc(F)c(F)c3[O-])cc2C1 ZINC000822310629 1137056461 /nfs/dbraw/zinc/05/64/61/1137056461.db2.gz UCKQJVWPNUKILT-SECBINFHSA-N -1 0 348.349 3.538 20 0 EHADRM C/C(=C\C(=O)N1CCC[C@@]1(C)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000823338205 1137095472 /nfs/dbraw/zinc/09/54/72/1137095472.db2.gz CSKVGELMDDDMMA-OFAQMXQXSA-N -1 0 341.329 3.574 20 0 EHADRM CC(C)(C(=O)[N-]OCC1CC1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000861824748 1137121784 /nfs/dbraw/zinc/12/17/84/1137121784.db2.gz WOEXPDVHRBGHEA-ZDUSSCGKSA-N -1 0 332.227 3.511 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cncc(Cl)c2)c2cccnc2c1C ZINC000339033061 1137127958 /nfs/dbraw/zinc/12/79/58/1137127958.db2.gz NPYGZQGIQUCDBU-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM CC(C)CC[C@@H]1CCCCN1C(=O)CSc1n[n-]c(=S)s1 ZINC000119568358 1137197851 /nfs/dbraw/zinc/19/78/51/1137197851.db2.gz SAYOPEIQFRJOSI-NSHDSACASA-N -1 0 345.559 3.736 20 0 EHADRM CCN(CC)Cc1csc(NC(=O)c2ccc(Cl)cc2[O-])n1 ZINC000844130033 1137200151 /nfs/dbraw/zinc/20/01/51/1137200151.db2.gz BJMLNUAUBMSBRJ-UHFFFAOYSA-N -1 0 339.848 3.596 20 0 EHADRM CC[C@@H]1c2ccsc2CCN1C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000864104536 1137215320 /nfs/dbraw/zinc/21/53/20/1137215320.db2.gz NHSHRIGAAKHVQY-RYWCDNDXSA-N -1 0 331.393 3.589 20 0 EHADRM Cc1cc2c(CC(=O)N(CCC(=O)[O-])CC3CC3)csc2s1 ZINC000864114227 1137215715 /nfs/dbraw/zinc/21/57/15/1137215715.db2.gz MHOWFPDRAIAXJY-UHFFFAOYSA-N -1 0 337.466 3.527 20 0 EHADRM CCO[C@H](C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C)C1CCCC1 ZINC000864115093 1137215757 /nfs/dbraw/zinc/21/57/57/1137215757.db2.gz LLJCJCFAKWKDTR-KRWDZBQOSA-N -1 0 349.427 3.706 20 0 EHADRM COc1ccccc1-c1ccc(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)s1 ZINC000864118479 1137216061 /nfs/dbraw/zinc/21/60/61/1137216061.db2.gz YBPJFHCNPOAXIZ-HNNXBMFYSA-N -1 0 347.436 3.653 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000864125333 1137216320 /nfs/dbraw/zinc/21/63/20/1137216320.db2.gz UFFAMDLYCOCDOT-SOFGYWHQSA-N -1 0 343.379 3.936 20 0 EHADRM C[C@@H]1CCN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)[C@H]1c1cccc(F)c1 ZINC000864130749 1137216414 /nfs/dbraw/zinc/21/64/14/1137216414.db2.gz ZOUAWKSSLSMJTP-QZQWMFAZSA-N -1 0 343.354 3.740 20 0 EHADRM C[C@H](CCc1ccc(F)cc1)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000864132419 1137216634 /nfs/dbraw/zinc/21/66/34/1137216634.db2.gz SMQZPORJXZLNEG-PBHICJAKSA-N -1 0 335.419 3.640 20 0 EHADRM CC(C)(CC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000864134499 1137216749 /nfs/dbraw/zinc/21/67/49/1137216749.db2.gz CIPAYGNWTVMFMA-KXBFYZLASA-N -1 0 335.419 3.643 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cc2c(cccc2C2CC2)[nH]1 ZINC000864132414 1137216773 /nfs/dbraw/zinc/21/67/73/1137216773.db2.gz SLRIHORPDYKEGP-CQSZACIVSA-N -1 0 340.423 3.905 20 0 EHADRM CCc1cccc2[nH]c(C(=O)N3CCCC[C@H]3CCC(=O)[O-])cc21 ZINC000864132313 1137216802 /nfs/dbraw/zinc/21/68/02/1137216802.db2.gz PDWGDKQUAIFBRZ-AWEZNQCLSA-N -1 0 328.412 3.590 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)c1cc2c(cccc2C2CC2)[nH]1 ZINC000864142019 1137216907 /nfs/dbraw/zinc/21/69/07/1137216907.db2.gz VKHBUAADAAJNIC-IBGZPJMESA-N -1 0 328.412 3.665 20 0 EHADRM COc1cc(NC(=O)[C@@H](C)CCc2ccc(F)cc2)ccc1C(=O)[O-] ZINC000864143335 1137217092 /nfs/dbraw/zinc/21/70/92/1137217092.db2.gz CCCWCUBJPASBNC-LBPRGKRZSA-N -1 0 345.370 3.740 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)CCc1ccc(F)c2ccccc12 ZINC000864153342 1137217343 /nfs/dbraw/zinc/21/73/43/1137217343.db2.gz CBQILJJWDLDVLV-XLIONFOSSA-N -1 0 343.398 3.671 20 0 EHADRM Cc1cccc(C)c1[C@H]1CCCN1C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000864152657 1137217437 /nfs/dbraw/zinc/21/74/37/1137217437.db2.gz MHYOEBRBJDXJPV-HGPCXVNDSA-N -1 0 339.391 3.972 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)/C=C/c2ccc(C(=O)[O-])o2)c(C)c1 ZINC000864177469 1137217808 /nfs/dbraw/zinc/21/78/08/1137217808.db2.gz FJOFANXLGZFQJR-RNVIBTMRSA-N -1 0 327.380 3.827 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)c2ccc(/C=C/C(=O)[O-])o2)c(C)c1 ZINC000864177832 1137217903 /nfs/dbraw/zinc/21/79/03/1137217903.db2.gz MZVRLKJLDLFDIC-RNVIBTMRSA-N -1 0 327.380 3.827 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)o1 ZINC000864177046 1137217946 /nfs/dbraw/zinc/21/79/46/1137217946.db2.gz DNYJMVRUYGONSC-CJDUSVOKSA-N -1 0 339.391 3.834 20 0 EHADRM Cc1ccc([C@@H](C)N(C)C(=O)/C=C/c2ccc(C(=O)[O-])o2)c(C)c1 ZINC000864177467 1137217949 /nfs/dbraw/zinc/21/79/49/1137217949.db2.gz FJOFANXLGZFQJR-DNGMOHDESA-N -1 0 327.380 3.827 20 0 EHADRM CC(C)c1ccc(CN(C)C(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC000864178402 1137218208 /nfs/dbraw/zinc/21/82/08/1137218208.db2.gz ZMWWEJPEWKOSKB-PKNBQFBNSA-N -1 0 327.380 3.773 20 0 EHADRM O=C([O-])C12CCC(CC1)N2C(=O)/C=C/c1ccc(F)c2ccccc12 ZINC000864189476 1137218386 /nfs/dbraw/zinc/21/83/86/1137218386.db2.gz OPEUGCBMRXKSRG-SOFGYWHQSA-N -1 0 339.366 3.600 20 0 EHADRM CC[C@@H](Cc1cn(C)c2ccccc12)NC(=O)CC(C)(C)CC(=O)[O-] ZINC000864190109 1137218463 /nfs/dbraw/zinc/21/84/63/1137218463.db2.gz YKVNFWABOSOGDP-HNNXBMFYSA-N -1 0 344.455 3.507 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)CSc1ccc2ccccc2c1)C1CC1 ZINC000864197190 1137218684 /nfs/dbraw/zinc/21/86/84/1137218684.db2.gz AHOVGAWABJRUKV-LJQANCHMSA-N -1 0 343.448 3.692 20 0 EHADRM CCC[C@H](C(=O)NCc1cc(C(=O)[O-])co1)c1ccc(Cl)cc1 ZINC000864195060 1137218720 /nfs/dbraw/zinc/21/87/20/1137218720.db2.gz WRHTYXNEHFRWCS-HNNXBMFYSA-N -1 0 335.787 3.831 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)CSc2ccccc2C)c1 ZINC000864227934 1137219293 /nfs/dbraw/zinc/21/92/93/1137219293.db2.gz IYTHPQBGNPRLDQ-INIZCTEOSA-N -1 0 343.448 3.728 20 0 EHADRM O=C([O-])c1cc(NC(=O)CC[C@@H]2CCCCO2)cc2ccccc21 ZINC000864225888 1137219354 /nfs/dbraw/zinc/21/93/54/1137219354.db2.gz LRVOZWBGFUGTQW-HNNXBMFYSA-N -1 0 327.380 3.826 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)Cc2cccc(C3CC3)c2)c2ccccc21 ZINC000864227988 1137219406 /nfs/dbraw/zinc/21/94/06/1137219406.db2.gz JTDYOINJGWJRBS-QGZVFWFLSA-N -1 0 335.403 3.712 20 0 EHADRM CC(C)C[C@H](C(=O)[O-])N(C)C(=O)Nc1cccc(C2CCOCC2)c1 ZINC000864583494 1137235648 /nfs/dbraw/zinc/23/56/48/1137235648.db2.gz TWCZQDGRZRUYMA-QGZVFWFLSA-N -1 0 348.443 3.544 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)Nc2ccc(C3CC3)cc2F)CC1 ZINC000864606195 1137236503 /nfs/dbraw/zinc/23/65/03/1137236503.db2.gz ACFZFPNWEMMGEN-UHFFFAOYSA-N -1 0 334.391 3.812 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](Nc2cc(Cl)nc(C3CC3)n2)c2ccccc21 ZINC000844930803 1137263677 /nfs/dbraw/zinc/26/36/77/1137263677.db2.gz GBKQXTKWENLSKP-CHWSQXEVSA-N -1 0 329.787 3.733 20 0 EHADRM CC(=O)Nc1c(C)ccc(NC(=O)c2ccc([O-])c(Cl)c2)c1C ZINC001144634021 1137321331 /nfs/dbraw/zinc/32/13/31/1137321331.db2.gz DCPVJQQOYLXXTJ-UHFFFAOYSA-N -1 0 332.787 3.873 20 0 EHADRM O=C([O-])[C@@]12CCC[C@@H]1C[N@H+](Cc1csc(-c3ccc(F)cc3)n1)C2 ZINC000846283864 1137345170 /nfs/dbraw/zinc/34/51/70/1137345170.db2.gz JCRRWFBUNDQVJM-FZKQIMNGSA-N -1 0 346.427 3.636 20 0 EHADRM O=C([N-]c1csc(-c2ccccc2)n1)c1nnc(-c2ccco2)o1 ZINC001144887627 1137360214 /nfs/dbraw/zinc/36/02/14/1137360214.db2.gz IUGZRQXMZAIPNC-UHFFFAOYSA-N -1 0 338.348 3.705 20 0 EHADRM Cc1cc(NC(=O)c2ccc(Cl)c([O-])c2)ccc1C(=O)NC(C)C ZINC001145024930 1137380424 /nfs/dbraw/zinc/38/04/24/1137380424.db2.gz UHZRCRHYXBVOJN-UHFFFAOYSA-N -1 0 346.814 3.745 20 0 EHADRM C[C@@H]1CCC[C@@H](C)N(C(=O)c2cc(Br)c(F)cc2[O-])C1 ZINC001147051573 1137399260 /nfs/dbraw/zinc/39/92/60/1137399260.db2.gz QAXMPJQSNRCORH-NXEZZACHSA-N -1 0 344.224 3.945 20 0 EHADRM COc1cccc([C@]2(C)CCN(C(=O)c3ccc(Cl)c([O-])c3)C2)c1 ZINC001147427365 1137405973 /nfs/dbraw/zinc/40/59/73/1137405973.db2.gz GSFVSYLUHOMVKX-LJQANCHMSA-N -1 0 345.826 3.858 20 0 EHADRM CCO[C@H]1C[C@@H](N(C)C(=O)c2cc(Cl)cc(Cl)c2[O-])C1(C)C ZINC001147632513 1137410221 /nfs/dbraw/zinc/41/02/21/1137410221.db2.gz HVOVNMCBJJFLMG-OLZOCXBDSA-N -1 0 346.254 3.975 20 0 EHADRM C[C@H]1CCC[C@@H](CNC(=O)c2cc(Cl)c3ccccc3c2[O-])O1 ZINC001147762751 1137411792 /nfs/dbraw/zinc/41/17/92/1137411792.db2.gz BQPAKIGPJWOMJI-RYUDHWBXSA-N -1 0 333.815 3.886 20 0 EHADRM Cc1ccc(-c2nnc(-c3nc(Br)ccc3[O-])o2)cc1 ZINC001252674527 1137415414 /nfs/dbraw/zinc/41/54/14/1137415414.db2.gz TYWMETOAYQHILE-UHFFFAOYSA-N -1 0 332.157 3.575 20 0 EHADRM C[C@@H]1CN(C(=O)c2s[n-]c(=O)c2Cl)CC[C@@H]1c1ccccc1 ZINC001148039486 1137417513 /nfs/dbraw/zinc/41/75/13/1137417513.db2.gz WRMKJBZERDPIIN-PWSUYJOCSA-N -1 0 336.844 3.768 20 0 EHADRM CC(C)(C)OC(=O)CCC(C)(C)NC(=O)c1cccc(Cl)c1[O-] ZINC001148631441 1137430255 /nfs/dbraw/zinc/43/02/55/1137430255.db2.gz LCKBHDKEIUTRCU-UHFFFAOYSA-N -1 0 341.835 3.676 20 0 EHADRM CC1(C)Cc2c(Nc3cc(F)c(C(=O)[O-])c(F)c3)cccc2NC1=O ZINC001203334621 1137499316 /nfs/dbraw/zinc/49/93/16/1137499316.db2.gz WEGZRGCHQLJHFA-UHFFFAOYSA-N -1 0 346.333 3.927 20 0 EHADRM O=C(NCCCCC1CC1)c1cc(Br)cc(F)c1[O-] ZINC001171676000 1137503710 /nfs/dbraw/zinc/50/37/10/1137503710.db2.gz WHFYVQJYZGXRAJ-UHFFFAOYSA-N -1 0 330.197 3.604 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NCc1cocn1)c1cc(Cl)cc(Cl)c1 ZINC000871065203 1137520539 /nfs/dbraw/zinc/52/05/39/1137520539.db2.gz CJSZNZHNLGKVDS-CYBMUJFWSA-N -1 0 343.210 3.923 20 0 EHADRM Cc1noc(C)c1[N-]C(=O)c1sc(Cl)nc1C(F)(F)F ZINC000888556325 1137525752 /nfs/dbraw/zinc/52/57/52/1137525752.db2.gz XQUDBJJPXBAKEC-UHFFFAOYSA-N -1 0 325.699 3.672 20 0 EHADRM O=C(Nc1nccc(Br)c1[O-])C1CC2(C1)CCCCC2 ZINC001150032311 1137556628 /nfs/dbraw/zinc/55/66/28/1137556628.db2.gz PJHQSMRQSWTLJQ-UHFFFAOYSA-N -1 0 339.233 3.849 20 0 EHADRM O=C([O-])[C@H]1[C@@H]2CN(C(=O)N(c3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000871774537 1137557984 /nfs/dbraw/zinc/55/79/84/1137557984.db2.gz COSOEDPHFIIOGV-RCCFBDPRSA-N -1 0 336.391 3.597 20 0 EHADRM O=S(=O)([N-]c1cc(C2CC2)ccn1)c1ccc(F)c(C(F)F)c1 ZINC000872004623 1137564409 /nfs/dbraw/zinc/56/44/09/1137564409.db2.gz KJEXPJIWUZOFKK-UHFFFAOYSA-N -1 0 342.342 3.837 20 0 EHADRM CCC(F)(F)c1ccccc1[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC000872410223 1137579561 /nfs/dbraw/zinc/57/95/61/1137579561.db2.gz KNFDYLFYSBZMHV-UHFFFAOYSA-N -1 0 343.399 3.767 20 0 EHADRM COc1ccc(C2CC2)c([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000872412973 1137579722 /nfs/dbraw/zinc/57/97/22/1137579722.db2.gz AQRVNEWTFYBZDN-UHFFFAOYSA-N -1 0 339.363 3.652 20 0 EHADRM Cc1occ(C(F)(F)F)c1C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000872718563 1137583209 /nfs/dbraw/zinc/58/32/09/1137583209.db2.gz WVEUSVDZOPEOJV-JTQLQIEISA-N -1 0 347.333 3.570 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1sccc1C(F)F ZINC000872728714 1137583271 /nfs/dbraw/zinc/58/32/71/1137583271.db2.gz WRWOVKANJHUOFT-JTQLQIEISA-N -1 0 339.363 3.801 20 0 EHADRM CC[C@@H](CC(=O)N1CC[C@]2(C(=O)[O-])CCC[C@H]12)c1ccc(C)cc1 ZINC000872766523 1137584072 /nfs/dbraw/zinc/58/40/72/1137584072.db2.gz JXBVEOLAQNTUFP-RIFZZMRRSA-N -1 0 329.440 3.735 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H]1C(=O)Nc1cccc(C2SCCS2)c1 ZINC000872833980 1137585235 /nfs/dbraw/zinc/58/52/35/1137585235.db2.gz ZRNHNIWKKDPAPI-OLZOCXBDSA-N -1 0 337.466 3.605 20 0 EHADRM CCCCOc1ccc(OC)cc1NC(=O)C1=C(C(=O)[O-])CCCC1 ZINC000872834515 1137585279 /nfs/dbraw/zinc/58/52/79/1137585279.db2.gz DUYIVHXGOSLHCU-UHFFFAOYSA-N -1 0 347.411 3.768 20 0 EHADRM Cc1ccc(C)c(C(=O)NCCC[C@@H]2CC2(Cl)Cl)c1C(=O)[O-] ZINC000872875552 1137585897 /nfs/dbraw/zinc/58/58/97/1137585897.db2.gz BSJXXHKZNBJSAI-LLVKDONJSA-N -1 0 344.238 3.705 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)N1CCCCC[C@H]1c1ccccc1 ZINC000872947914 1137586759 /nfs/dbraw/zinc/58/67/59/1137586759.db2.gz XMPZBZJJWVIKEP-HNNXBMFYSA-N -1 0 335.469 3.727 20 0 EHADRM CC[C@H]1CN(C(=O)C(C)(C)SCC(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000872954379 1137586906 /nfs/dbraw/zinc/58/69/06/1137586906.db2.gz WKDPJXYKNQYDBP-HOCLYGCPSA-N -1 0 349.496 3.625 20 0 EHADRM O=C([O-])CC1(CC(=O)N2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)CCCC1 ZINC000872989995 1137587544 /nfs/dbraw/zinc/58/75/44/1137587544.db2.gz VWMNDBXCXWSYPX-OKZBNKHCSA-N -1 0 341.451 3.674 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cc(F)c(F)c(F)c2F)CCCCC1 ZINC000872995792 1137587640 /nfs/dbraw/zinc/58/76/40/1137587640.db2.gz FSKABAWBGGSYFU-UHFFFAOYSA-N -1 0 333.281 3.607 20 0 EHADRM C[C@@H](NC(=O)CC1(CC(=O)[O-])CCCCC1)c1cc2cnccc2o1 ZINC000873001145 1137587699 /nfs/dbraw/zinc/58/76/99/1137587699.db2.gz GCXNNDNZAHZQHM-CYBMUJFWSA-N -1 0 344.411 3.820 20 0 EHADRM O=C([O-])C1(CC(=O)NC[C@@H]2CC=CC[C@H]2C(F)(F)F)CCCCC1 ZINC000872999873 1137587713 /nfs/dbraw/zinc/58/77/13/1137587713.db2.gz ZFNROYDCANNIOC-QWHCGFSZSA-N -1 0 347.377 3.673 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@@H]2CC=CC[C@H]2C(F)(F)F)CCCCCC1 ZINC000873000496 1137587731 /nfs/dbraw/zinc/58/77/31/1137587731.db2.gz ZBWXPFMRQWOCRM-CHWSQXEVSA-N -1 0 347.377 3.815 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(Cc2nc3c(o2)CCCC3)CC1 ZINC000873640840 1137605614 /nfs/dbraw/zinc/60/56/14/1137605614.db2.gz JNOUQMLWKBMRFT-UHFFFAOYSA-N -1 0 340.423 3.631 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)N3CCCCCCC3)c([O-])c2)o1 ZINC000873886731 1137607787 /nfs/dbraw/zinc/60/77/87/1137607787.db2.gz MTXXNPNLRDXTFE-UHFFFAOYSA-N -1 0 327.380 3.871 20 0 EHADRM C[C@@H](N(C)C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])C(C)(C)C ZINC000873960838 1137608488 /nfs/dbraw/zinc/60/84/88/1137608488.db2.gz DQFORVRKTAWUKH-GFCCVEGCSA-N -1 0 329.396 3.971 20 0 EHADRM C[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])CC1 ZINC000874246951 1137611989 /nfs/dbraw/zinc/61/19/89/1137611989.db2.gz GNWBEYSQBMTUPH-CYBMUJFWSA-N -1 0 327.380 3.727 20 0 EHADRM Cc1csc([C@@H]2CCN(C(=O)c3cc(F)cc(Cl)c3[O-])C2)n1 ZINC000874498491 1137616319 /nfs/dbraw/zinc/61/63/19/1137616319.db2.gz XUTKICYSSROQAU-SECBINFHSA-N -1 0 340.807 3.579 20 0 EHADRM COc1cccc(-c2cc(C(=O)[N-]c3nc(C(C)C)ns3)on2)c1 ZINC000874692772 1137621408 /nfs/dbraw/zinc/62/14/08/1137621408.db2.gz FGXUEFVFAHHOAH-UHFFFAOYSA-N -1 0 344.396 3.577 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC[C@@H]2C(C)(C)C)n1 ZINC001137101397 1137646168 /nfs/dbraw/zinc/64/61/68/1137646168.db2.gz JKWONMLODCLSFT-QGZVFWFLSA-N -1 0 341.455 3.791 20 0 EHADRM O=S(=O)([N-]c1ncsc1C1CC1)c1ccc(Cl)cc1F ZINC000882770986 1137833910 /nfs/dbraw/zinc/83/39/10/1137833910.db2.gz JUFZGCUNVAROTH-UHFFFAOYSA-N -1 0 332.809 3.614 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C(C)=O)ccc2C)c1 ZINC000096744320 1137844116 /nfs/dbraw/zinc/84/41/16/1137844116.db2.gz YFQAUTICWRUTEH-UHFFFAOYSA-N -1 0 347.436 3.569 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)[C@@H](C)c2ccccc2)cc1 ZINC000131488976 1137854493 /nfs/dbraw/zinc/85/44/93/1137854493.db2.gz XAHOHOOPQZWWRN-CABCVRRESA-N -1 0 345.464 3.560 20 0 EHADRM CCc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)[C@H](C)c2ccccc2)cc1 ZINC000131489623 1137854508 /nfs/dbraw/zinc/85/45/08/1137854508.db2.gz XAHOHOOPQZWWRN-LSDHHAIUSA-N -1 0 345.464 3.560 20 0 EHADRM O=C(Nc1ccc2n[nH]nc2c1)c1cc(Cl)c2ccccc2c1[O-] ZINC001137189211 1137860412 /nfs/dbraw/zinc/86/04/12/1137860412.db2.gz KPYCESJNYVDMHV-UHFFFAOYSA-N -1 0 338.754 3.722 20 0 EHADRM Cc1nc(N)sc1-c1nc(-c2ccc3[n-]c(=S)sc3c2)no1 ZINC001212795591 1137865270 /nfs/dbraw/zinc/86/52/70/1137865270.db2.gz PSQJWNNGFSOMLR-UHFFFAOYSA-N -1 0 347.450 3.649 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1 ZINC000107946134 1137888250 /nfs/dbraw/zinc/88/82/50/1137888250.db2.gz KTMYBKNVVZXYCR-HJPURHCSSA-N -1 0 329.465 3.597 20 0 EHADRM CCCc1nc(=NC(=O)N2CCC[C@@H]2c2cccc(C)c2)s[n-]1 ZINC000331512248 1137911085 /nfs/dbraw/zinc/91/10/85/1137911085.db2.gz JDYZJHUDRHUHBB-CQSZACIVSA-N -1 0 330.457 3.590 20 0 EHADRM CCCc1nc(=NC(=O)N2C[C@@H](C)C[C@@H]2c2cccc(F)c2)s[n-]1 ZINC000331627474 1137915049 /nfs/dbraw/zinc/91/50/49/1137915049.db2.gz YVHMUANHDQHFOR-SMDDNHRTSA-N -1 0 348.447 3.667 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)[nH][n-]2)o1 ZINC000332007832 1137928400 /nfs/dbraw/zinc/92/84/00/1137928400.db2.gz YTUBTISNMJFSNN-QWRGUYRKSA-N -1 0 341.333 3.707 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000332101273 1137931781 /nfs/dbraw/zinc/93/17/81/1137931781.db2.gz CLJLROLKYZRYPN-JSGCOSHPSA-N -1 0 344.484 3.667 20 0 EHADRM CC1(C)C[C@H](O)c2cccc(NC(=O)c3c([O-])cccc3Cl)c2O1 ZINC000885656574 1138015310 /nfs/dbraw/zinc/01/53/10/1138015310.db2.gz GFTRKQKLLCEEHZ-AWEZNQCLSA-N -1 0 347.798 3.892 20 0 EHADRM CCSCc1cccnc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000886444895 1138078546 /nfs/dbraw/zinc/07/85/46/1138078546.db2.gz OOLSMQVKOLFPHQ-UHFFFAOYSA-N -1 0 336.482 3.752 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCC[C@H]1c1ccc(F)cc1F ZINC001299343854 1138089580 /nfs/dbraw/zinc/08/95/80/1138089580.db2.gz MAHOLBKYPPORMA-HNNXBMFYSA-N -1 0 339.288 3.926 20 0 EHADRM CC(C)(CC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1F)CC(F)F ZINC000887326786 1138267203 /nfs/dbraw/zinc/26/72/03/1138267203.db2.gz MWWVAPBDPKWUHW-LBPRGKRZSA-N -1 0 349.324 3.668 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2CCOC3(CCC3)C2)cc2ccccc21 ZINC000887328440 1138267394 /nfs/dbraw/zinc/26/73/94/1138267394.db2.gz XTYXNVADIJIISR-AWEZNQCLSA-N -1 0 339.391 3.826 20 0 EHADRM O=C([O-])CN(C(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1)C1CCC1 ZINC000887382529 1138294545 /nfs/dbraw/zinc/29/45/45/1138294545.db2.gz KKGXBYPGMVSSNZ-CYBMUJFWSA-N -1 0 348.296 3.731 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCCC34CCC4)n2)cc1 ZINC000333552733 1138303352 /nfs/dbraw/zinc/30/33/52/1138303352.db2.gz QGDOEKMWXPEXIF-UHFFFAOYSA-N -1 0 339.439 3.860 20 0 EHADRM CC1(C)[C@H](c2ccccc2)CCN1C(=O)c1s[n-]c(=O)c1Cl ZINC000333675977 1138318329 /nfs/dbraw/zinc/31/83/29/1138318329.db2.gz DMFBMWOXZUOUNM-NSHDSACASA-N -1 0 336.844 3.910 20 0 EHADRM Cc1c(=O)[nH]c(SC[C@H]2CCCC[C@H]2O)nc1-c1ccccc1 ZINC000334025963 1138362874 /nfs/dbraw/zinc/36/28/74/1138362874.db2.gz HGVIXLRVLDPLFU-HUUCEWRRSA-N -1 0 330.453 3.801 20 0 EHADRM CC[C@H](NC(=O)CC1(C(=O)[O-])CCCCCC1)c1nc(C)cs1 ZINC000264380600 1138494814 /nfs/dbraw/zinc/49/48/14/1138494814.db2.gz ODRVZUDVDUVILX-ZDUSSCGKSA-N -1 0 338.473 3.834 20 0 EHADRM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000348444174 1138518104 /nfs/dbraw/zinc/51/81/04/1138518104.db2.gz PIZNWZLJAQAOMN-UHFFFAOYSA-N -1 0 341.310 3.959 20 0 EHADRM CSc1nc(=O)[nH]c(C)c1C(=O)Nc1cccc2ccsc21 ZINC000337535999 1138597723 /nfs/dbraw/zinc/59/77/23/1138597723.db2.gz MYYGQVPGAMCWPH-UHFFFAOYSA-N -1 0 331.422 3.680 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)c1ccc(CCC(F)(F)F)cc1 ZINC000337650326 1138633869 /nfs/dbraw/zinc/63/38/69/1138633869.db2.gz CTIIIUCRNXFQCJ-UHFFFAOYSA-N -1 0 335.329 3.523 20 0 EHADRM CCc1nc(C)c([N-]S(=O)(=O)c2cccc(SC)c2)s1 ZINC000337756547 1138660252 /nfs/dbraw/zinc/66/02/52/1138660252.db2.gz IBTDERVLYFIVNE-UHFFFAOYSA-N -1 0 328.484 3.537 20 0 EHADRM CO[C@@H](C)c1nc(=NC(=O)c2ccc(-c3ccc(C)o3)s2)s[n-]1 ZINC000338012778 1138724043 /nfs/dbraw/zinc/72/40/43/1138724043.db2.gz BKXZQYNASVYLBO-VIFPVBQESA-N -1 0 349.437 3.550 20 0 EHADRM CC(C)n1cnc(S(=O)(=O)[N-]c2ccccc2-c2cccs2)c1 ZINC000338221546 1138792440 /nfs/dbraw/zinc/79/24/40/1138792440.db2.gz JZLSFCXVLSZBKE-UHFFFAOYSA-N -1 0 347.465 3.993 20 0 EHADRM COCc1ccc([C@@H]2CCCN2C(=O)c2ccc([O-])c(Cl)c2)o1 ZINC000137454000 1138854050 /nfs/dbraw/zinc/85/40/50/1138854050.db2.gz CDYPLVMGWFYWDW-AWEZNQCLSA-N -1 0 335.787 3.762 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc([O-])c(Cl)c2)C[C@H](c2ccsc2)O1 ZINC000150864192 1138987782 /nfs/dbraw/zinc/98/77/82/1138987782.db2.gz YUJSSTMYSDAEOV-ZUZCIYMTSA-N -1 0 337.828 3.709 20 0 EHADRM CCCNc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccoc1 ZINC000350828515 1139372051 /nfs/dbraw/zinc/37/20/51/1139372051.db2.gz HBBUYZRYSHFLQK-UHFFFAOYSA-N -1 0 348.346 3.921 20 0 EHADRM Cc1ccc([C@H]2C[C@@H](C)CCN2Cc2nc(=O)c3sccc3[n-]2)o1 ZINC000173997412 1139392354 /nfs/dbraw/zinc/39/23/54/1139392354.db2.gz CRQUKSOUGQFPPI-SMDDNHRTSA-N -1 0 343.452 3.859 20 0 EHADRM Cc1cn([C@@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1ccsc1 ZINC000350829968 1139447104 /nfs/dbraw/zinc/44/71/04/1139447104.db2.gz KKIZHXOCSVUDMI-ZDUSSCGKSA-N -1 0 347.465 3.663 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(F)cc(Cl)c2[O-])C[C@@H](c2ccccc2)O1 ZINC000177111658 1139598315 /nfs/dbraw/zinc/59/83/15/1139598315.db2.gz ADBPRTVJTDUSFR-BZNIZROVSA-N -1 0 349.789 3.787 20 0 EHADRM C[C@@H](NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC000183964847 1140069497 /nfs/dbraw/zinc/06/94/97/1140069497.db2.gz WRMJHLDLNQVMCF-WXHSDQCUSA-N -1 0 343.345 3.774 20 0 EHADRM Cc1occc1S([O-])=CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000189642546 1140357440 /nfs/dbraw/zinc/35/74/40/1140357440.db2.gz RFVTWHNUPUDMTJ-QRQCRPRQSA-N -1 0 339.482 3.661 20 0 EHADRM Cc1csc(-c2ccc(NC(=O)C3CCC(C(=O)[O-])CC3)cc2)n1 ZINC000194405812 1140607895 /nfs/dbraw/zinc/60/78/95/1140607895.db2.gz JDBNBHKABKMTDF-UHFFFAOYSA-N -1 0 344.436 3.948 20 0 EHADRM O=C([O-])C1CCC(C(=O)NCC2(Cc3ccccc3)CCCC2)CC1 ZINC000194444746 1140609713 /nfs/dbraw/zinc/60/97/13/1140609713.db2.gz SAIWWZHUGVCFTR-UHFFFAOYSA-N -1 0 343.467 3.797 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@@H](c2ccccc2)C2CC2)c(C)c1 ZINC000194496859 1140612319 /nfs/dbraw/zinc/61/23/19/1140612319.db2.gz XCIHKUYGUKTUSG-RDPSFJRHSA-N -1 0 341.476 3.679 20 0 EHADRM CN(C[C@@H]1OCCc2ccccc21)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000269156916 1141073112 /nfs/dbraw/zinc/07/31/12/1141073112.db2.gz SJTIZGZFCLSDTF-INIZCTEOSA-N -1 0 349.789 3.571 20 0 EHADRM O=S(=O)([N-]c1cccc(-n2cccc2)c1)c1c(F)cccc1F ZINC000339124581 1141503863 /nfs/dbraw/zinc/50/38/63/1141503863.db2.gz NQXOQLHXUVSYEY-UHFFFAOYSA-N -1 0 334.347 3.556 20 0 EHADRM C[C@@H](C1CCCCC1)N(C)C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000283068523 1141546560 /nfs/dbraw/zinc/54/65/60/1141546560.db2.gz QBZJTWZXHNOZPN-NSHDSACASA-N -1 0 345.468 3.665 20 0 EHADRM CCC(C)(C)OCc1ccccc1NC(=O)N=c1[n-]nc(C)s1 ZINC000348964692 1141616898 /nfs/dbraw/zinc/61/68/98/1141616898.db2.gz LDUNJOCCWPHCKB-UHFFFAOYSA-N -1 0 334.445 3.618 20 0 EHADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c2ccccc21 ZINC000035685410 213046423 /nfs/dbraw/zinc/04/64/23/213046423.db2.gz QBSICGYKBUTRDB-UHFFFAOYSA-N -1 0 343.404 3.658 20 0 EHADRM COc1ccc(CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)cc1 ZINC000020333417 212120512 /nfs/dbraw/zinc/12/05/12/212120512.db2.gz XTZJWDLYKUBYEJ-UHFFFAOYSA-N -1 0 345.420 3.515 20 0 EHADRM Cc1ccc(-c2csc3ncnc(NCCCC(=O)[O-])c23)cc1 ZINC000020311725 212117522 /nfs/dbraw/zinc/11/75/22/212117522.db2.gz DLOQYJQKJWFCSJ-UHFFFAOYSA-N -1 0 327.409 3.943 20 0 EHADRM O=S(=O)([N-]c1ccc2nsnc2c1)c1csc2ccccc21 ZINC000012340916 211352087 /nfs/dbraw/zinc/35/20/87/211352087.db2.gz OXCKWYLFBVMVLA-UHFFFAOYSA-N -1 0 347.446 3.707 20 0 EHADRM COc1nc(N[C@H](C)c2cccc(N3CCCC3)c2)ccc1C(=O)[O-] ZINC000518985037 478202507 /nfs/dbraw/zinc/20/25/07/478202507.db2.gz MBBAYAIOHABZCZ-CYBMUJFWSA-N -1 0 341.411 3.562 20 0 EHADRM Cc1ccc(Sc2c3ccccc3nnc2-c2nnn[n-]2)cc1C ZINC000737368484 598934958 /nfs/dbraw/zinc/93/49/58/598934958.db2.gz KZTSMBNHVAZVOA-UHFFFAOYSA-N -1 0 334.408 3.578 20 0 EHADRM O=C([O-])C1(NC(=O)CCCCc2nc3ccccc3s2)CCCC1 ZINC000237922729 597033679 /nfs/dbraw/zinc/03/36/79/597033679.db2.gz OCOMSUWNMCYJCU-UHFFFAOYSA-N -1 0 346.452 3.523 20 0 EHADRM COc1ccc(-c2nc(CS[C@@H](C)C(=O)[O-])cs2)c(OC)c1 ZINC000739877817 597071512 /nfs/dbraw/zinc/07/15/12/597071512.db2.gz BRGPRWMHLPLCOT-VIFPVBQESA-N -1 0 339.438 3.534 20 0 EHADRM C[C@H](c1ccccc1)N(C(=O)CSCC(=O)[O-])c1ccccc1 ZINC000739057352 597089675 /nfs/dbraw/zinc/08/96/75/597089675.db2.gz HPBGWENBEWPDEQ-CQSZACIVSA-N -1 0 329.421 3.599 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000054302645 597115676 /nfs/dbraw/zinc/11/56/76/597115676.db2.gz ONORUQWTKSGMEW-SECBINFHSA-N -1 0 331.199 3.712 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000819365207 597115782 /nfs/dbraw/zinc/11/57/82/597115782.db2.gz YRWKIJVQYSOMDN-SNVBAGLBSA-N -1 0 344.383 3.720 20 0 EHADRM C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)CSCC(=O)[O-] ZINC000559388457 597151401 /nfs/dbraw/zinc/15/14/01/597151401.db2.gz BOLQBNXCNUYCFM-CQSZACIVSA-N -1 0 343.448 3.691 20 0 EHADRM CN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000316023381 597191359 /nfs/dbraw/zinc/19/13/59/597191359.db2.gz MMWGKLXLWZSBQD-UHFFFAOYSA-N -1 0 338.816 3.693 20 0 EHADRM C[C@@H](CNC(=O)Nc1cccc(CC(=O)[O-])c1)Sc1ccccc1 ZINC000818009126 597192838 /nfs/dbraw/zinc/19/28/38/597192838.db2.gz VEVGGQGXWTVMRQ-ZDUSSCGKSA-N -1 0 344.436 3.616 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)Nc2cccc(CC(=O)[O-])c2)c1C ZINC000738306921 597192911 /nfs/dbraw/zinc/19/29/11/597192911.db2.gz HIKDLVGYLJGDGV-AWEZNQCLSA-N -1 0 326.396 3.813 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)NC2(c3ccc(Cl)cc3)CC2)c1 ZINC000738623104 597198046 /nfs/dbraw/zinc/19/80/46/597198046.db2.gz AMKXSJDDWSMQOI-UHFFFAOYSA-N -1 0 344.798 3.778 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000780626051 597210431 /nfs/dbraw/zinc/21/04/31/597210431.db2.gz MMFMKHOGRIMCDL-OAHLLOKOSA-N -1 0 336.432 3.541 20 0 EHADRM Cc1cccc(C)c1NC(=O)CSCc1ccc(C(=O)[O-])cc1 ZINC000013066164 597284191 /nfs/dbraw/zinc/28/41/91/597284191.db2.gz BZPMVMZWBDGHDC-UHFFFAOYSA-N -1 0 329.421 3.874 20 0 EHADRM C[S@](=O)Cc1ccc(Cl)c(NCc2ccc(C(=O)[O-])cc2)c1 ZINC000818654151 597301111 /nfs/dbraw/zinc/30/11/11/597301111.db2.gz OMDLZNCVEKPZHN-QFIPXVFZSA-N -1 0 337.828 3.529 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000819608781 597325397 /nfs/dbraw/zinc/32/53/97/597325397.db2.gz BEBABTGXMPDOER-VXGBXAGGSA-N -1 0 344.333 3.556 20 0 EHADRM CCN(Cc1ccc(C)cc1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818202700 597329717 /nfs/dbraw/zinc/32/97/17/597329717.db2.gz OOTNLUYUKFCBGU-UHFFFAOYSA-N -1 0 326.396 3.676 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000818944242 597330196 /nfs/dbraw/zinc/33/01/96/597330196.db2.gz KATHLXCLYLDIPW-GOSISDBHSA-N -1 0 338.407 3.991 20 0 EHADRM CC[C@H](NC(=O)Nc1ccccc1CC(=O)[O-])c1cc(F)ccc1F ZINC000818143789 597331557 /nfs/dbraw/zinc/33/15/57/597331557.db2.gz WLPIQGCHUMFBCW-HNNXBMFYSA-N -1 0 348.349 3.865 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000819609308 597338726 /nfs/dbraw/zinc/33/87/26/597338726.db2.gz HODUMIHYKZXMFK-LJQANCHMSA-N -1 0 328.412 3.668 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)Nc1ccccc1CC(=O)[O-] ZINC000817921713 597342833 /nfs/dbraw/zinc/34/28/33/597342833.db2.gz BXVKKNLINIVSSJ-UHFFFAOYSA-N -1 0 328.368 3.745 20 0 EHADRM Cc1ccccc1[C@@H]1CCN(C(=O)Nc2ccccc2CC(=O)[O-])C1 ZINC000818958951 597344187 /nfs/dbraw/zinc/34/41/87/597344187.db2.gz RRBSKARKJBKPLO-MRXNPFEDSA-N -1 0 338.407 3.644 20 0 EHADRM O=C([O-])C1CCC(Nc2cccc(OCc3cccnc3)c2)CC1 ZINC000263485954 598101737 /nfs/dbraw/zinc/10/17/37/598101737.db2.gz PLAVYKRHINMSME-UHFFFAOYSA-N -1 0 326.396 3.716 20 0 EHADRM C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(C(=O)[O-])c1 ZINC000191572820 598134838 /nfs/dbraw/zinc/13/48/38/598134838.db2.gz YXZRDTYLLGFBDD-NSHDSACASA-N -1 0 340.404 3.828 20 0 EHADRM Cc1cccc2sc(C(=O)NCCCCC(=O)[O-])c(Cl)c21 ZINC000678611877 598165683 /nfs/dbraw/zinc/16/56/83/598165683.db2.gz XYPGUDGJKBDEOP-UHFFFAOYSA-N -1 0 325.817 3.848 20 0 EHADRM Cc1cc(NC(=O)NCCCCC(=O)[O-])ccc1Oc1cccnc1 ZINC000669497062 598169026 /nfs/dbraw/zinc/16/90/26/598169026.db2.gz NHBLLCPHKBOORE-UHFFFAOYSA-N -1 0 343.383 3.559 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)CCc1ncc(-c2ccccc2)o1 ZINC000681680020 598180824 /nfs/dbraw/zinc/18/08/24/598180824.db2.gz VHPIQXOGJJRDPV-UHFFFAOYSA-N -1 0 336.347 3.611 20 0 EHADRM CCc1ccccc1NC(=O)C[C@@H](C)Nc1cccc(CC(=O)[O-])c1 ZINC000563393232 598198102 /nfs/dbraw/zinc/19/81/02/598198102.db2.gz FKMFRRFNTVDDEP-CQSZACIVSA-N -1 0 340.423 3.705 20 0 EHADRM C[C@@H](C(=O)[O-])N(C)C(=O)c1csc(-c2cccc3ccccc32)n1 ZINC000819889173 598202181 /nfs/dbraw/zinc/20/21/81/598202181.db2.gz MMOZBUYLSOAYPW-NSHDSACASA-N -1 0 340.404 3.508 20 0 EHADRM O=C([O-])c1ccnc(N2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000821553235 598219004 /nfs/dbraw/zinc/21/90/04/598219004.db2.gz HWCCNFHRPFUQDB-CYBMUJFWSA-N -1 0 325.393 3.731 20 0 EHADRM CC(C)(C)c1noc(OCc2c3ccccc3sc2C(=O)[O-])n1 ZINC000736306786 599704672 /nfs/dbraw/zinc/70/46/72/599704672.db2.gz IASWFERDSLICQF-UHFFFAOYSA-N -1 0 332.381 3.859 20 0 EHADRM COc1ccc([C@@H](C)C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)cc1 ZINC000737947185 599708735 /nfs/dbraw/zinc/70/87/35/599708735.db2.gz HBSWYZWTADGCJV-SNVBAGLBSA-N -1 0 345.420 3.686 20 0 EHADRM CCCC[C@@H](Sc1nncn1-c1ccc(C)c(Cl)c1)C(=O)[O-] ZINC000736986697 599710540 /nfs/dbraw/zinc/71/05/40/599710540.db2.gz ZARNXXXPCAQCFG-CYBMUJFWSA-N -1 0 339.848 3.965 20 0 EHADRM O=C([O-])NCCC(=O)N[C@@H](CCCc1ccccc1)c1ccccc1 ZINC000739941573 599713732 /nfs/dbraw/zinc/71/37/32/599713732.db2.gz LBEFIAZTZNYKKT-SFHVURJKSA-N -1 0 340.423 3.525 20 0 EHADRM CCCN(Cc1cc(C)c(C(=O)[O-])o1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000737019749 599714383 /nfs/dbraw/zinc/71/43/83/599714383.db2.gz MGSSGRSBIZWHIG-AWEZNQCLSA-N -1 0 344.411 3.525 20 0 EHADRM O=C([O-])[C@H](N[C@H](c1nccs1)c1ccccc1)c1ccc(F)cc1 ZINC000739504573 599715199 /nfs/dbraw/zinc/71/51/99/599715199.db2.gz ZTWUHHHUHWSSLF-JKSUJKDBSA-N -1 0 342.395 3.787 20 0 EHADRM CCOc1ccc(CNC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000737204563 599718256 /nfs/dbraw/zinc/71/82/56/599718256.db2.gz WBWWNYIHEOHONF-UHFFFAOYSA-N -1 0 347.346 3.636 20 0 EHADRM C[C@@H]1CCN(C(=O)CCCNC(=O)[O-])c2cc(Cl)ccc2S1 ZINC000736790164 599723794 /nfs/dbraw/zinc/72/37/94/599723794.db2.gz ALDAKEXVSBJCBO-SNVBAGLBSA-N -1 0 342.848 3.605 20 0 EHADRM COc1ccc([C@H](C)C(=O)Oc2ccc(Cl)cc2C(=O)[O-])cc1 ZINC000737949424 599724607 /nfs/dbraw/zinc/72/46/07/599724607.db2.gz MHSDWJVTWBURMX-JTQLQIEISA-N -1 0 334.755 3.756 20 0 EHADRM CC(C)C[C@@H](NC(=O)CCNC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000736413428 599730454 /nfs/dbraw/zinc/73/04/54/599730454.db2.gz UMMZZGBGMOEUIS-CYBMUJFWSA-N -1 0 346.349 3.567 20 0 EHADRM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)CCCN(C)C(=O)[O-] ZINC000736718792 599730952 /nfs/dbraw/zinc/73/09/52/599730952.db2.gz UFPUSOXERPLYFH-SNVBAGLBSA-N -1 0 347.242 3.903 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1)C(=O)[O-] ZINC000485728421 599733274 /nfs/dbraw/zinc/73/32/74/599733274.db2.gz ZBEIIMCOGZGVNT-AWEZNQCLSA-N -1 0 345.826 3.632 20 0 EHADRM CN(CCCC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1)C(=O)[O-] ZINC000737424488 599735194 /nfs/dbraw/zinc/73/51/94/599735194.db2.gz YPSLZOVZXKFHOF-OAHLLOKOSA-N -1 0 338.423 3.809 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)[O-] ZINC000339341941 599743520 /nfs/dbraw/zinc/74/35/20/599743520.db2.gz CTBUNSDLMSHMGY-BONVTDFDSA-N -1 0 345.420 3.537 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000236971626 599744277 /nfs/dbraw/zinc/74/42/77/599744277.db2.gz SGYVMQUYKUXJSF-KSSFIOAISA-N -1 0 325.408 3.685 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)CCCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000737234639 599744476 /nfs/dbraw/zinc/74/44/76/599744476.db2.gz UPVOMGQZLVYKLA-BONVTDFDSA-N -1 0 346.254 3.932 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)CCSCC(=O)[O-])c1ccc(F)cc1 ZINC000736250492 599746851 /nfs/dbraw/zinc/74/68/51/599746851.db2.gz GOCBMXHGEDOWQN-CQSZACIVSA-N -1 0 341.448 3.627 20 0 EHADRM CCc1cccc2c1OCC[C@H]2NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000737273074 599756449 /nfs/dbraw/zinc/75/64/49/599756449.db2.gz WPJRTJGSICOQFN-MRXNPFEDSA-N -1 0 340.379 3.593 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)Nc1ccc2scnc2c1 ZINC000737471161 599757489 /nfs/dbraw/zinc/75/74/89/599757489.db2.gz ZCEXMUIBGKSAQK-UHFFFAOYSA-N -1 0 341.392 3.658 20 0 EHADRM Cc1nc([C@H](C)Nc2nc(C)nc3sc(C(=O)[O-])c(C)c32)cs1 ZINC000649389153 599762613 /nfs/dbraw/zinc/76/26/13/599762613.db2.gz PTGJPSROUOSGJA-ZETCQYMHSA-N -1 0 348.453 3.944 20 0 EHADRM CCC[C@](C)(NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000236826603 599763242 /nfs/dbraw/zinc/76/32/42/599763242.db2.gz UXESPFRHYFZAAS-GDLVEWKHSA-N -1 0 344.238 3.857 20 0 EHADRM CC(C)COc1ccc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000326924044 599766535 /nfs/dbraw/zinc/76/65/35/599766535.db2.gz AKJHHMBXEJVLGX-UHFFFAOYSA-N -1 0 341.407 3.991 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccc(CCC(=O)[O-])cc2)o1 ZINC000326951411 599768587 /nfs/dbraw/zinc/76/85/87/599768587.db2.gz JVSNADBTZNBDCC-DYVFJYSZSA-N -1 0 341.407 3.992 20 0 EHADRM C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000021003186 599769311 /nfs/dbraw/zinc/76/93/11/599769311.db2.gz SZYCHKVOTTTWAC-LBPRGKRZSA-N -1 0 347.798 3.763 20 0 EHADRM O=C([O-])[C@H](NCc1ncc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000324620515 599784623 /nfs/dbraw/zinc/78/46/23/599784623.db2.gz PPFDYACERSNUSV-QGZVFWFLSA-N -1 0 342.782 3.911 20 0 EHADRM CC[C@](C)(NC(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000736860713 599792835 /nfs/dbraw/zinc/79/28/35/599792835.db2.gz CZRSSHQPECCVEY-IBGZPJMESA-N -1 0 342.395 3.597 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)N[C@H](CC2CCCCC2)c2ccccc2)C1 ZINC000739592616 599796080 /nfs/dbraw/zinc/79/60/80/599796080.db2.gz HPAYYIRVYGCMES-QZTJIDSGSA-N -1 0 344.455 3.814 20 0 EHADRM Cc1ccc2[nH]c3c(c2c1)CN([C@@H](C(=O)[O-])c1ccc(F)cc1)CC3 ZINC000738667842 599796230 /nfs/dbraw/zinc/79/62/30/599796230.db2.gz UQPACTJQMJQILB-LJQANCHMSA-N -1 0 338.382 3.799 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2F)c1 ZINC000238131147 599797438 /nfs/dbraw/zinc/79/74/38/599797438.db2.gz APSFDYSFCCOTIY-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(F)cc2C(F)(F)F)cc1 ZINC000740114397 599798851 /nfs/dbraw/zinc/79/88/51/599798851.db2.gz CUBKYPLOHRGTBM-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM O=C([O-])c1ccc2c(=O)[nH]c(C=Cc3cc4ccccc4o3)nc2c1 ZINC000740189258 599801573 /nfs/dbraw/zinc/80/15/73/599801573.db2.gz IGXDDKCBGIUGSO-SOFGYWHQSA-N -1 0 332.315 3.950 20 0 EHADRM O=C([O-])c1sccc1NC(=O)CCSc1ccc(F)cc1 ZINC000037451807 599803062 /nfs/dbraw/zinc/80/30/62/599803062.db2.gz AUNWDYXXOTWFKO-UHFFFAOYSA-N -1 0 325.386 3.706 20 0 EHADRM O=C([O-])c1coc(CSc2nnc(-c3ccc(Cl)cc3)o2)c1 ZINC000740269676 599803349 /nfs/dbraw/zinc/80/33/49/599803349.db2.gz UDCDJWFSKVKMIS-UHFFFAOYSA-N -1 0 336.756 3.974 20 0 EHADRM Cc1cc2occ(CC(=O)Nc3ccsc3C(=O)[O-])c2cc1C ZINC000738487459 599804056 /nfs/dbraw/zinc/80/40/56/599804056.db2.gz WJAIFEDBRLDIBG-UHFFFAOYSA-N -1 0 329.377 3.991 20 0 EHADRM C[C@H](NC(=S)Nc1ccc(N(C)C(=O)[O-])cc1)c1cccs1 ZINC000736661651 599806078 /nfs/dbraw/zinc/80/60/78/599806078.db2.gz XXZYJTLRJKJONR-JTQLQIEISA-N -1 0 335.454 3.910 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)/C=C/c1cnn(-c2ccccc2)c1 ZINC000013258703 599806546 /nfs/dbraw/zinc/80/65/46/599806546.db2.gz ZNGNESMKXDQAQY-CSKARUKUSA-N -1 0 347.374 3.531 20 0 EHADRM Cc1nc(NC(=O)C[C@@H]2CCCc3ccccc32)sc1C(=O)[O-] ZINC000738362084 599810315 /nfs/dbraw/zinc/81/03/15/599810315.db2.gz VZEACDMFGLOFGA-LBPRGKRZSA-N -1 0 330.409 3.598 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)C[C@@H]1CCCc2ccccc21 ZINC000740190301 599812704 /nfs/dbraw/zinc/81/27/04/599812704.db2.gz ZUAXSVFFWJXUJE-HNNXBMFYSA-N -1 0 335.403 3.784 20 0 EHADRM C[C@H](NC(=O)Nc1cccc(C(=O)[O-])c1)C(C)(C)c1ccccc1 ZINC000736648245 599814866 /nfs/dbraw/zinc/81/48/66/599814866.db2.gz CQFWFQGWYMXAQD-ZDUSSCGKSA-N -1 0 326.396 3.873 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c(C)c1)c1nc(C)cs1 ZINC000736914899 599821190 /nfs/dbraw/zinc/82/11/90/599821190.db2.gz WOUUHMRTBFCSLZ-CYBMUJFWSA-N -1 0 333.413 3.731 20 0 EHADRM O=C([O-])[C@H](NC(=O)C[C@H]1CCCc2ccccc21)c1cccs1 ZINC000448996397 599823245 /nfs/dbraw/zinc/82/32/45/599823245.db2.gz RSSQZMDEGRCOSU-CXAGYDPISA-N -1 0 329.421 3.500 20 0 EHADRM CCN(Cc1ccccc1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000303422203 599826788 /nfs/dbraw/zinc/82/67/88/599826788.db2.gz AIMWCYOBQXXFGA-UHFFFAOYSA-N -1 0 326.396 3.758 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N(C)C(C)(C)C(=O)[O-])c(F)c2)cc1 ZINC000362339042 599827160 /nfs/dbraw/zinc/82/71/60/599827160.db2.gz ICQFLUKEUGFXLU-UHFFFAOYSA-N -1 0 329.371 3.736 20 0 EHADRM O=C([O-])c1c(NC(=O)CSc2cccs2)sc2c1CCC2 ZINC000037455882 599835302 /nfs/dbraw/zinc/83/53/02/599835302.db2.gz RERMPALFVXVOEE-UHFFFAOYSA-N -1 0 339.463 3.727 20 0 EHADRM CN(C(=O)Cc1cc(Cl)ccc1Cl)c1ccccc1C(=O)[O-] ZINC000737326009 599837900 /nfs/dbraw/zinc/83/79/00/599837900.db2.gz RXCMSNLLMGKVOW-UHFFFAOYSA-N -1 0 338.190 3.897 20 0 EHADRM CC(C)Cc1ccc(CC(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC000736452791 599838270 /nfs/dbraw/zinc/83/82/70/599838270.db2.gz GAENVEXIYFZHHO-UHFFFAOYSA-N -1 0 325.408 3.789 20 0 EHADRM O=C([O-])c1ccccc1CSc1nnc(Cc2cccc(F)c2)o1 ZINC000740238912 599838696 /nfs/dbraw/zinc/83/86/96/599838696.db2.gz BTNNJUXJFPLHRV-UHFFFAOYSA-N -1 0 344.367 3.790 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)C=C(C2CC2)C2CC2)cc1 ZINC000271923319 599844864 /nfs/dbraw/zinc/84/48/64/599844864.db2.gz WMNPZDTWDIXVAD-KRWDZBQOSA-N -1 0 345.464 3.787 20 0 EHADRM C[C@H](c1ccccc1Cl)N1CCN(Cc2cc(C(=O)[O-])co2)CC1 ZINC000736724720 599846626 /nfs/dbraw/zinc/84/66/26/599846626.db2.gz ONVUAKXFBPBJGZ-CYBMUJFWSA-N -1 0 348.830 3.510 20 0 EHADRM Cc1oc(-c2ccccc2)nc1C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000738957164 599846826 /nfs/dbraw/zinc/84/68/26/599846826.db2.gz SFAMRBUFRBFDRG-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)CCc1c[nH]c2ccccc12 ZINC000325108145 599847265 /nfs/dbraw/zinc/84/72/65/599847265.db2.gz YHZYEOMWYSPYTQ-UHFFFAOYSA-N -1 0 326.327 3.577 20 0 EHADRM CCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(SC)cc2)cc1 ZINC000237143320 599848745 /nfs/dbraw/zinc/84/87/45/599848745.db2.gz XOBWYEULAGHBJD-QGZVFWFLSA-N -1 0 343.448 3.917 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)c1cc(-c2ccco2)[nH]n1 ZINC000739462337 599849872 /nfs/dbraw/zinc/84/98/72/599849872.db2.gz HYXCZSSTPQPMKL-UHFFFAOYSA-N -1 0 347.330 3.773 20 0 EHADRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2o1 ZINC000013302886 599855625 /nfs/dbraw/zinc/85/56/25/599855625.db2.gz GDXUQMVWOZQYKE-AWEZNQCLSA-N -1 0 343.766 3.512 20 0 EHADRM Cc1ccc(N=C2NN=C(c3cc(C(=O)[O-])co3)CS2)cc1C ZINC000738627595 599857659 /nfs/dbraw/zinc/85/76/59/599857659.db2.gz IIMUCHJBFHJPMT-UHFFFAOYSA-N -1 0 329.381 3.514 20 0 EHADRM O=C([O-])c1coc(-c2csc(-c3cnn(-c4ccccc4)c3)n2)c1 ZINC000324602313 599858144 /nfs/dbraw/zinc/85/81/44/599858144.db2.gz UXKNUHBVKFARNY-UHFFFAOYSA-N -1 0 337.360 3.954 20 0 EHADRM COC(=O)c1coc(-c2csc(-c3ccc(C(=O)[O-])cc3)n2)c1 ZINC000737712825 599858570 /nfs/dbraw/zinc/85/85/70/599858570.db2.gz ODLFYHMQUFISEG-UHFFFAOYSA-N -1 0 329.333 3.555 20 0 EHADRM COc1ccc(Cl)cc1COC(=O)c1ccccc1NC(=O)[O-] ZINC000738013354 599869092 /nfs/dbraw/zinc/86/90/92/599869092.db2.gz GWBLDDHMBSIJMV-UHFFFAOYSA-N -1 0 335.743 3.796 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)c1cccc(Cl)n1 ZINC000739436995 599872792 /nfs/dbraw/zinc/87/27/92/599872792.db2.gz YUCFCFYUSSVBJB-UHFFFAOYSA-N -1 0 346.795 3.578 20 0 EHADRM COc1ccc(C(=O)OCc2ccc(F)cc2C(=O)[O-])c(Cl)c1 ZINC000737948241 599876358 /nfs/dbraw/zinc/87/63/58/599876358.db2.gz OHCYOAQVSZSUFQ-UHFFFAOYSA-N -1 0 338.718 3.543 20 0 EHADRM CCCO[C@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)CC1 ZINC000737027375 599880661 /nfs/dbraw/zinc/88/06/61/599880661.db2.gz BSWMLBJEUCWFLZ-HNNXBMFYSA-N -1 0 334.416 3.506 20 0 EHADRM C[C@@H](OC(=O)c1cccc(C(=O)[O-])n1)c1ccc(C(F)(F)F)cc1 ZINC000736697030 599882567 /nfs/dbraw/zinc/88/25/67/599882567.db2.gz LOCQLBAFZOMCAD-SECBINFHSA-N -1 0 339.269 3.717 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)OCc1ccc(C(=O)[O-])o1 ZINC000736890440 599885000 /nfs/dbraw/zinc/88/50/00/599885000.db2.gz BDLANCLSOZFGQD-ZWXCPPHNSA-N -1 0 344.363 3.912 20 0 EHADRM Cc1ccc(OC(=O)c2csc(-c3ccoc3)n2)c(C(=O)[O-])c1 ZINC000738640623 599885931 /nfs/dbraw/zinc/88/59/31/599885931.db2.gz ZLRMXWGTFJNFKX-UHFFFAOYSA-N -1 0 329.333 3.629 20 0 EHADRM CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000095750732 599886568 /nfs/dbraw/zinc/88/65/68/599886568.db2.gz OKTZVJHPFDWKCJ-LLVKDONJSA-N -1 0 349.305 3.626 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc(OC3CCCC3)c2)cc1 ZINC000238191118 599887815 /nfs/dbraw/zinc/88/78/15/599887815.db2.gz WBDKLLUAKUWLKN-UHFFFAOYSA-N -1 0 325.364 3.959 20 0 EHADRM Cc1cc2nc(-c3ccccc3)cc(C(=O)N[C@@H](C)C(=O)[O-])c2cc1C ZINC000738479480 599897115 /nfs/dbraw/zinc/89/71/15/599897115.db2.gz RECNCUNENMWENG-AWEZNQCLSA-N -1 0 348.402 3.722 20 0 EHADRM O=C([O-])c1ccc2c(=O)[nH]c(C=CC3=Cc4ccccc4OC3)nc2c1 ZINC000740188557 599907775 /nfs/dbraw/zinc/90/77/75/599907775.db2.gz BSJMJLPXUYKKOM-YVMONPNESA-N -1 0 346.342 3.523 20 0 EHADRM C[C@@H](CC(=O)N1CCc2cc(C(=O)[O-])ccc21)c1ccccc1F ZINC000736540706 599913126 /nfs/dbraw/zinc/91/31/26/599913126.db2.gz DFJDSTXICKROCH-LBPRGKRZSA-N -1 0 327.355 3.607 20 0 EHADRM COc1nc(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc2ccccc21 ZINC000738147895 599914314 /nfs/dbraw/zinc/91/43/14/599914314.db2.gz KPUCGTSOKDZTKM-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1C ZINC000237839743 599914823 /nfs/dbraw/zinc/91/48/23/599914823.db2.gz ISOMLXFIVIQVGN-UHFFFAOYSA-N -1 0 339.391 3.912 20 0 EHADRM CCOc1ccccc1CCC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000236911396 599916932 /nfs/dbraw/zinc/91/69/32/599916932.db2.gz HPMKYKYRPICSDI-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM Cc1cc(NC(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)ccc1C(=O)[O-] ZINC000392135477 599916966 /nfs/dbraw/zinc/91/69/66/599916966.db2.gz MZZNFTVFFNQWGJ-LRDDRELGSA-N -1 0 327.380 3.981 20 0 EHADRM Cc1cccc(OCCCC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000237707057 599917561 /nfs/dbraw/zinc/91/75/61/599917561.db2.gz LWEDKDOPNGDEHW-UHFFFAOYSA-N -1 0 327.380 3.799 20 0 EHADRM CC(C)c1ccc(SCC(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC000540924226 599918102 /nfs/dbraw/zinc/91/81/02/599918102.db2.gz PKPILQHQUAPUIJ-CYBMUJFWSA-N -1 0 335.469 3.614 20 0 EHADRM C[C@@H](CN(C(=O)/C=C\c1ccc(C(C)(C)C)cc1)C1CC1)C(=O)[O-] ZINC000736563173 599919543 /nfs/dbraw/zinc/91/95/43/599919543.db2.gz MDBFQZPRCVUUDC-VDBIKXPHSA-N -1 0 329.440 3.709 20 0 EHADRM Cc1ccc(CCC(=O)Nc2cccc(CSCC(=O)[O-])c2)cc1 ZINC000237689089 599921079 /nfs/dbraw/zinc/92/10/79/599921079.db2.gz WDRXJMJEGRGTPE-UHFFFAOYSA-N -1 0 343.448 3.884 20 0 EHADRM C[C@H](CN(C(=O)CCSc1ccc(Cl)cc1)C1CC1)C(=O)[O-] ZINC000237595445 599922457 /nfs/dbraw/zinc/92/24/57/599922457.db2.gz KDJUUBFYLGFMMD-LLVKDONJSA-N -1 0 341.860 3.534 20 0 EHADRM C[C@@H]1CCCC[C@@H]1NC(=S)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000736785483 599926678 /nfs/dbraw/zinc/92/66/78/599926678.db2.gz PSSCWHACAYCXKQ-KBMXLJTQSA-N -1 0 334.485 3.635 20 0 EHADRM C[C@H](CN(C(=O)c1cc2c(ccc3ccccc23)[nH]1)C1CC1)C(=O)[O-] ZINC000263002698 599931881 /nfs/dbraw/zinc/93/18/81/599931881.db2.gz VGRPZKYLADKKFZ-GFCCVEGCSA-N -1 0 336.391 3.646 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)CSc1ccccc1)c1ccccc1 ZINC000193460772 599936956 /nfs/dbraw/zinc/93/69/56/599936956.db2.gz NBHZFTZLHOJSMN-INIZCTEOSA-N -1 0 329.421 3.501 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)/C=C/c1cccc(F)c1)c1ccccc1 ZINC000193456031 599937977 /nfs/dbraw/zinc/93/79/77/599937977.db2.gz YTKHLWHMNKPVHY-QXLXQBSBSA-N -1 0 327.355 3.561 20 0 EHADRM Cc1cccc(C2(C(=O)OCc3ccoc3C(=O)[O-])CCCC2)c1 ZINC000738687113 599946507 /nfs/dbraw/zinc/94/65/07/599946507.db2.gz FCEAZRWCXAIXHY-UHFFFAOYSA-N -1 0 328.364 3.841 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])s1)c1cccc(OC(F)(F)F)c1 ZINC000540669301 599950691 /nfs/dbraw/zinc/95/06/91/599950691.db2.gz GXEZZYHXHRRQSJ-UHFFFAOYSA-N -1 0 345.298 3.622 20 0 EHADRM Cc1cc(NCC(=O)N[C@@H](c2ccccc2)C(C)C)ccc1C(=O)[O-] ZINC000738458382 599961359 /nfs/dbraw/zinc/96/13/59/599961359.db2.gz HBHCXRXCIPGTAM-LJQANCHMSA-N -1 0 340.423 3.619 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F)C1CCCCC1 ZINC000736542068 599971021 /nfs/dbraw/zinc/97/10/21/599971021.db2.gz VGTKGDORKQRVJT-APPDUMDISA-N -1 0 339.382 3.813 20 0 EHADRM O=C([O-])c1cccn2cc(COC(=O)CCCC3CCCCC3)nc12 ZINC000739234471 599986962 /nfs/dbraw/zinc/98/69/62/599986962.db2.gz FSEUGJCRGSKLST-UHFFFAOYSA-N -1 0 344.411 3.826 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCC2(c3ccc(Cl)cc3)CCC2)s1 ZINC000238008735 599991134 /nfs/dbraw/zinc/99/11/34/599991134.db2.gz GPQRUAPAMAZKBD-UHFFFAOYSA-N -1 0 349.839 3.951 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)ccc1C(=O)[O-] ZINC000237814448 599997182 /nfs/dbraw/zinc/99/71/82/599997182.db2.gz CQNOMKQUHROXQM-ZIAGYGMSSA-N -1 0 331.318 3.714 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cc3c(cccc3F)s2)c1 ZINC000325604327 600002301 /nfs/dbraw/zinc/00/23/01/600002301.db2.gz GWHHBMGLEXDOBT-UHFFFAOYSA-N -1 0 345.351 4.000 20 0 EHADRM COc1ccc(NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])c(C)c1 ZINC000362482261 600009025 /nfs/dbraw/zinc/00/90/25/600009025.db2.gz AWRACZSOPUQTBO-GFCCVEGCSA-N -1 0 345.420 3.821 20 0 EHADRM CCCN(C[C@@H]1CCCCO1)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000737019880 600011402 /nfs/dbraw/zinc/01/14/02/600011402.db2.gz OTDJIOVHSRKCGG-HNNXBMFYSA-N -1 0 334.416 3.506 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)C1 ZINC000739592851 600011677 /nfs/dbraw/zinc/01/16/77/600011677.db2.gz FABKLBHUSUALRT-GFCCVEGCSA-N -1 0 346.333 3.570 20 0 EHADRM COc1ccc(CN(C)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1C ZINC000737994882 600012294 /nfs/dbraw/zinc/01/22/94/600012294.db2.gz MLMYXBXLCVBZRV-UHFFFAOYSA-N -1 0 342.395 3.674 20 0 EHADRM Cc1cc(NC(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)ccc1C(=O)[O-] ZINC000738438509 600013398 /nfs/dbraw/zinc/01/33/98/600013398.db2.gz WCQKIGKJTLPVHZ-KKNUOHPOSA-N -1 0 328.412 3.736 20 0 EHADRM Cc1cccc2c1OCC[C@@H]2NC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000738443782 600013963 /nfs/dbraw/zinc/01/39/63/600013963.db2.gz YFRLYNNROAKIMV-INIZCTEOSA-N -1 0 340.379 3.647 20 0 EHADRM Cc1cc(NC(=O)NC2CCC(C(F)(F)F)CC2)ccc1C(=O)[O-] ZINC000738443811 600015982 /nfs/dbraw/zinc/01/59/82/600015982.db2.gz YUKCPPDLPCBBSU-UHFFFAOYSA-N -1 0 344.333 3.936 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263065420 600016274 /nfs/dbraw/zinc/01/62/74/600016274.db2.gz SMHJVKIGHMIBQV-SSDMNJCBSA-N -1 0 348.443 3.544 20 0 EHADRM Cc1cc(NC(=O)N2CCC[C@H]2Cc2ccccc2)ccc1C(=O)[O-] ZINC000738436679 600016565 /nfs/dbraw/zinc/01/65/65/600016565.db2.gz CJIHVRDOTAMLPD-KRWDZBQOSA-N -1 0 338.407 3.932 20 0 EHADRM Cc1ccccc1OCCN(C)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000738784641 600017038 /nfs/dbraw/zinc/01/70/38/600017038.db2.gz ITXWACHNFZBLIB-UHFFFAOYSA-N -1 0 342.395 3.544 20 0 EHADRM CC[C@@H]1CCCCN1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000736941407 600020900 /nfs/dbraw/zinc/02/09/00/600020900.db2.gz MCGSOPVYKGGTQA-OAHLLOKOSA-N -1 0 336.457 3.801 20 0 EHADRM C[C@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000736719314 600022145 /nfs/dbraw/zinc/02/21/45/600022145.db2.gz XIICFDSRAZHHGA-CYBMUJFWSA-N -1 0 342.395 3.634 20 0 EHADRM CC(C)[C@@H]1CCC[C@@H](NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)C1 ZINC000736394105 600023389 /nfs/dbraw/zinc/02/33/89/600023389.db2.gz FXMPNANAUBAXST-CXAGYDPISA-N -1 0 330.428 3.625 20 0 EHADRM C[C@@H](NC(=O)NC1CCC(C(=O)[O-])CC1)c1csc2ccccc21 ZINC000736644508 600024398 /nfs/dbraw/zinc/02/43/98/600024398.db2.gz ALMFKJRABKIVQI-PNESKVBLSA-N -1 0 346.452 3.905 20 0 EHADRM CC(C)COc1ccc(C(=O)Oc2cccc(CC(=O)[O-])c2)cc1 ZINC000736445835 600025211 /nfs/dbraw/zinc/02/52/11/600025211.db2.gz NFRDQFQHQDNAGR-UHFFFAOYSA-N -1 0 328.364 3.568 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)c2cc3c(cccc3F)s2)c1 ZINC000739890034 600027671 /nfs/dbraw/zinc/02/76/71/600027671.db2.gz XITBCEILHSVETQ-UHFFFAOYSA-N -1 0 330.336 3.887 20 0 EHADRM O=C([O-])C1CCC(NC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000040535889 600028901 /nfs/dbraw/zinc/02/89/01/600028901.db2.gz AZHZHAZVNOYPGP-UHFFFAOYSA-N -1 0 331.199 3.758 20 0 EHADRM Cc1ccc(C)c(CSCC(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000738575067 600033560 /nfs/dbraw/zinc/03/35/60/600033560.db2.gz XKVFLJJRURRSRJ-UHFFFAOYSA-N -1 0 329.421 3.874 20 0 EHADRM CCc1ccccc1NC(=S)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000737274743 600034093 /nfs/dbraw/zinc/03/40/93/600034093.db2.gz RZYMLTMCZYMQRP-UHFFFAOYSA-N -1 0 326.421 3.660 20 0 EHADRM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2sc(C)c(C)c2C(=O)[O-])c1 ZINC000738095479 600034773 /nfs/dbraw/zinc/03/47/73/600034773.db2.gz IKEOELFKVGGRRK-UONOGXRCSA-N -1 0 345.420 3.814 20 0 EHADRM CSCc1ccc(NC(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000237388351 600043794 /nfs/dbraw/zinc/04/37/94/600043794.db2.gz OCQKKASJFNGYAS-UHFFFAOYSA-N -1 0 329.421 3.819 20 0 EHADRM Cc1cc(C)cc(C2(C(=O)N3Cc4ccc(C(=O)[O-])cc4C3)CC2)c1 ZINC000621555751 600047574 /nfs/dbraw/zinc/04/75/74/600047574.db2.gz XMPHDOAQPZAAIJ-UHFFFAOYSA-N -1 0 335.403 3.576 20 0 EHADRM O=C([O-])C1CCC(NC(=O)c2ccc3c(c2)-c2ccccc2C3)CC1 ZINC000739383280 600049640 /nfs/dbraw/zinc/04/96/40/600049640.db2.gz YCOVCVRFUFDLFK-UHFFFAOYSA-N -1 0 335.403 3.631 20 0 EHADRM O=C([O-])C1CCC(NC(=O)c2ccc(-c3ccccc3Cl)o2)CC1 ZINC000262118844 600052123 /nfs/dbraw/zinc/05/21/23/600052123.db2.gz NDWZNNUVPGNPAP-UHFFFAOYSA-N -1 0 347.798 3.973 20 0 EHADRM O=C([O-])C1CCC(NC(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000262225333 600052298 /nfs/dbraw/zinc/05/22/98/600052298.db2.gz UXPIIHJRQOGPMZ-UHFFFAOYSA-N -1 0 337.419 3.578 20 0 EHADRM CC(C)(C)c1ccc(SCC(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000262126198 600052918 /nfs/dbraw/zinc/05/29/18/600052918.db2.gz NQFRKQCPNZMYDJ-UHFFFAOYSA-N -1 0 349.496 3.836 20 0 EHADRM CC/C(=C/C(=O)Nc1ccc(OCCC(=O)[O-])cc1)c1ccccc1 ZINC000736837432 600062941 /nfs/dbraw/zinc/06/29/41/600062941.db2.gz WOOZKNJCYISXPV-PFONDFGASA-N -1 0 339.391 3.972 20 0 EHADRM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)CCCC(C)(C)C ZINC000736821678 600062943 /nfs/dbraw/zinc/06/29/43/600062943.db2.gz DRTMTQGDAVRGCV-OAHLLOKOSA-N -1 0 346.471 3.638 20 0 EHADRM Cc1cc(NC(=O)c2cc(F)c(Cl)nc2Cl)ccc1C(=O)[O-] ZINC000738448959 600063826 /nfs/dbraw/zinc/06/38/26/600063826.db2.gz SJYYDSBAQYBBLH-UHFFFAOYSA-N -1 0 343.141 3.786 20 0 EHADRM CCN(C)[C@@H](C(=O)Nc1ccc(F)c(NC(=O)[O-])c1)c1ccccc1 ZINC000737067555 600068439 /nfs/dbraw/zinc/06/84/39/600068439.db2.gz CXEUFCDCSFEVRX-MRXNPFEDSA-N -1 0 345.374 3.547 20 0 EHADRM C/C(=C\C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)c1ccccc1Cl ZINC000736117419 600072198 /nfs/dbraw/zinc/07/21/98/600072198.db2.gz JFPJXEIWYMZLOZ-KNGLFYTFSA-N -1 0 347.842 3.988 20 0 EHADRM Cc1ccc(NC(=O)CCC(=O)c2cc(C)ccc2C)c(C(=O)[O-])c1 ZINC000738574222 600074187 /nfs/dbraw/zinc/07/41/87/600074187.db2.gz WZADHOLMOZRISE-UHFFFAOYSA-N -1 0 339.391 3.912 20 0 EHADRM O=C([O-])C1CCC(NC(=O)c2cc3c(ccc4ccccc34)[nH]2)CC1 ZINC000262129656 600074588 /nfs/dbraw/zinc/07/45/88/600074588.db2.gz NXZQNFRVBGHJRH-UHFFFAOYSA-N -1 0 336.391 3.694 20 0 EHADRM Cc1c(Cl)cccc1NC(=O)[C@H](C)Oc1ccc(C(=O)[O-])cc1 ZINC000013414023 600077036 /nfs/dbraw/zinc/07/70/36/600077036.db2.gz KPLVZIXCUOHIGI-NSHDSACASA-N -1 0 333.771 3.753 20 0 EHADRM O=C([O-])c1cc(F)ccc1COc1cccc(Br)c1 ZINC000071265315 600079410 /nfs/dbraw/zinc/07/94/10/600079410.db2.gz MVPIFDXQGXSSEX-UHFFFAOYSA-N -1 0 325.133 3.865 20 0 EHADRM Cc1ccc(NC(=O)COc2ccc(Cl)cc2C(=O)[O-])cc1F ZINC000013083595 600080208 /nfs/dbraw/zinc/08/02/08/600080208.db2.gz XPSAPVDFYAMZME-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM Cc1csc(Sc2ccc(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])c(C)c2)n1 ZINC000738819384 600081051 /nfs/dbraw/zinc/08/10/51/600081051.db2.gz ABDWQEKPTNRXCB-RYUDHWBXSA-N -1 0 348.449 3.570 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000362484095 600081601 /nfs/dbraw/zinc/08/16/01/600081601.db2.gz DVMWNCBSFFIXGV-RDBSUJKOSA-N -1 0 343.345 3.630 20 0 EHADRM CC[C@@H](C(=O)Nc1ccc(F)c(NC(=O)[O-])c1)c1c(C)noc1C ZINC000736848033 600086059 /nfs/dbraw/zinc/08/60/59/600086059.db2.gz LNXZIUYQBLTRNN-LLVKDONJSA-N -1 0 335.335 3.653 20 0 EHADRM C[C@H](OC(=O)CCc1ccc(C(=O)[O-])cc1)c1c(F)cccc1F ZINC000736690400 600090192 /nfs/dbraw/zinc/09/01/92/600090192.db2.gz BYQCMEUDCOPGBE-NSHDSACASA-N -1 0 334.318 3.900 20 0 EHADRM Cc1[nH]c(C(=O)CN(c2ccc(F)cc2)C(C)C)c(C)c1C(=O)[O-] ZINC000738233393 600092001 /nfs/dbraw/zinc/09/20/01/600092001.db2.gz KIHUSJRAXKZMIT-UHFFFAOYSA-N -1 0 332.375 3.567 20 0 EHADRM O=C([O-])c1ccc(CN2CCO[C@H](c3ccccc3Cl)C2)cc1 ZINC000263573269 600101898 /nfs/dbraw/zinc/10/18/98/600101898.db2.gz MDIPYGYNQIFSJF-KRWDZBQOSA-N -1 0 331.799 3.612 20 0 EHADRM O=C([O-])c1cccc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)n1 ZINC000740212617 600107671 /nfs/dbraw/zinc/10/76/71/600107671.db2.gz MHSCFXSXJIBUIN-UHFFFAOYSA-N -1 0 335.241 3.516 20 0 EHADRM O=C([O-])c1cccc(-c2nc(Cc3cccc4cccnc43)no2)c1 ZINC000740212595 600108195 /nfs/dbraw/zinc/10/81/95/600108195.db2.gz MAPQDTOBKFDPTP-UHFFFAOYSA-N -1 0 331.331 3.574 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)c1nc(Cl)ccc1Cl ZINC000740078299 600111567 /nfs/dbraw/zinc/11/15/67/600111567.db2.gz QYQBXPUSXQPERC-UHFFFAOYSA-N -1 0 344.125 3.583 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)c1cccc(C(F)(F)F)c1 ZINC000740291232 600112520 /nfs/dbraw/zinc/11/25/20/600112520.db2.gz SONJTTXFTZPIGP-UHFFFAOYSA-N -1 0 342.244 3.900 20 0 EHADRM Cc1ccnn1-c1ccc(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)cc1 ZINC000738800419 600112681 /nfs/dbraw/zinc/11/26/81/600112681.db2.gz UYTSQTORUIXYGY-UHFFFAOYSA-N -1 0 346.346 3.596 20 0 EHADRM O=C([O-])c1ccc(-c2noc(COc3cccc(Cl)c3)n2)cc1 ZINC000200976476 600113084 /nfs/dbraw/zinc/11/30/84/600113084.db2.gz RZKDAEZAILOTDO-UHFFFAOYSA-N -1 0 330.727 3.667 20 0 EHADRM C[C@H]1c2ccccc2CCN1C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000736841122 600113559 /nfs/dbraw/zinc/11/35/59/600113559.db2.gz WXVMGLJDYACNFT-LBPRGKRZSA-N -1 0 325.368 3.928 20 0 EHADRM Cc1ccc(OCCC(=O)OCc2ccc(F)cc2C(=O)[O-])cc1C ZINC000738643333 600113664 /nfs/dbraw/zinc/11/36/64/600113664.db2.gz NPNWWOYQNDMIKE-UHFFFAOYSA-N -1 0 346.354 3.653 20 0 EHADRM COc1cccc([C@H]2C[C@H]2C(=O)Oc2cc(Cl)ccc2C(=O)[O-])c1 ZINC000738096190 600122185 /nfs/dbraw/zinc/12/21/85/600122185.db2.gz NPIQSKPYGLDQCQ-HUUCEWRRSA-N -1 0 346.766 3.756 20 0 EHADRM Cc1cc(NC(=O)C(c2ccccc2)c2ccccc2)c(C(=O)[O-])[nH]1 ZINC000738423409 600124306 /nfs/dbraw/zinc/12/43/06/600124306.db2.gz WUGNKTAOXXMKKK-UHFFFAOYSA-N -1 0 334.375 3.792 20 0 EHADRM CC1CCN(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)CC1 ZINC000736790590 600124793 /nfs/dbraw/zinc/12/47/93/600124793.db2.gz GEMYSNVARSVLNP-UHFFFAOYSA-N -1 0 336.457 3.658 20 0 EHADRM CSCc1ccc(C(=O)Oc2ccc(C(=O)[O-])cc2C(C)=O)cc1 ZINC000738195644 600125574 /nfs/dbraw/zinc/12/55/74/600125574.db2.gz ZHGCGOYYBCXXGD-UHFFFAOYSA-N -1 0 344.388 3.670 20 0 EHADRM Cc1oc(CN(C)C(=O)N[C@H]2CCC[C@@H](C(C)C)C2)cc1C(=O)[O-] ZINC000738967068 600126335 /nfs/dbraw/zinc/12/63/35/600126335.db2.gz JFHHZNPPQSEZST-KGLIPLIRSA-N -1 0 336.432 3.642 20 0 EHADRM CC[C@@](NC(=O)C[C@H](C)c1ccccc1F)(C(=O)[O-])c1ccccc1 ZINC000485380201 600130870 /nfs/dbraw/zinc/13/08/70/600130870.db2.gz PDGCMWZVHYUKAU-XOBRGWDASA-N -1 0 343.398 3.826 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)Oc1ccc(C(=O)[O-])cc1 ZINC000738125397 600143110 /nfs/dbraw/zinc/14/31/10/600143110.db2.gz AXAUEYVYBSFCTM-CYBMUJFWSA-N -1 0 328.364 3.568 20 0 EHADRM CC[C@@](C)(NC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000362338067 600145615 /nfs/dbraw/zinc/14/56/15/600145615.db2.gz AJGISTPUYGQPBO-RFAUZJTJSA-N -1 0 332.227 3.542 20 0 EHADRM CCCCn1c(C)c(C)nc1SCC(=O)c1cc(C(=O)[O-])co1 ZINC000737009495 600147383 /nfs/dbraw/zinc/14/73/83/600147383.db2.gz RVTLPIXDMNXZRO-UHFFFAOYSA-N -1 0 336.413 3.566 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NCCCCC(=O)[O-] ZINC000237521109 600151534 /nfs/dbraw/zinc/15/15/34/600151534.db2.gz FPRMNYYENDKOJN-SNVBAGLBSA-N -1 0 332.227 3.543 20 0 EHADRM Cc1ccc([C@H](CNC(=O)CCc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000486367691 600156649 /nfs/dbraw/zinc/15/66/49/600156649.db2.gz GQMZYBLBMMYYMQ-KRWDZBQOSA-N -1 0 345.826 3.566 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)c1sc2cc(C)ccc2c1Cl ZINC000737097191 600157282 /nfs/dbraw/zinc/15/72/82/600157282.db2.gz KEKNNRCFHKJKPW-UHFFFAOYSA-N -1 0 325.817 3.800 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)c2ccc(C(F)F)cc2)C(=O)[O-])cc1 ZINC000738566764 600162663 /nfs/dbraw/zinc/16/26/63/600162663.db2.gz INGYWGUPSRQDIV-OAHLLOKOSA-N -1 0 333.334 3.531 20 0 EHADRM CCC[C@H](C(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1)c1ccccc1 ZINC000486369871 600162785 /nfs/dbraw/zinc/16/27/85/600162785.db2.gz HMUJUXSTEJIFQH-OALUTQOASA-N -1 0 339.435 3.863 20 0 EHADRM Cc1cc(C(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)c(C)n1C(C)C ZINC000362815269 600164798 /nfs/dbraw/zinc/16/47/98/600164798.db2.gz UKRWUUFNFCNSRZ-GOSISDBHSA-N -1 0 342.439 3.592 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000486194010 600168659 /nfs/dbraw/zinc/16/86/59/600168659.db2.gz SIHDJQUPOFMSDA-UHFFFAOYSA-N -1 0 338.338 3.875 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N1CC[C@H](c2ccccc2F)C1 ZINC000740239776 600172344 /nfs/dbraw/zinc/17/23/44/600172344.db2.gz KZOVVDREWRRVRR-LBPRGKRZSA-N -1 0 328.343 3.545 20 0 EHADRM CCN(CC)[C@H](C(=O)OCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000737086043 600177796 /nfs/dbraw/zinc/17/77/96/600177796.db2.gz SMAPRVPOCSSVIB-SFHVURJKSA-N -1 0 341.407 3.511 20 0 EHADRM Cc1nc(NC(=O)c2occc2-c2ccccc2)sc1C(=O)[O-] ZINC000738360754 600181614 /nfs/dbraw/zinc/18/16/14/600181614.db2.gz LSIPUAYRLMXKBU-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NC2CCCCC2)c(OC(F)F)c1 ZINC000740161833 600188497 /nfs/dbraw/zinc/18/84/97/600188497.db2.gz RNTSEQNOUPBBDV-UHFFFAOYSA-N -1 0 344.383 3.605 20 0 EHADRM O=C([O-])[C@H]1CN(C(=S)Nc2ccc(Cl)cc2)c2ccccc21 ZINC000739615788 600189370 /nfs/dbraw/zinc/18/93/70/600189370.db2.gz NUXVXBRLXKEIBC-ZDUSSCGKSA-N -1 0 332.812 3.725 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@@H](C)CSc1ccccc1 ZINC000737858530 600189835 /nfs/dbraw/zinc/18/98/35/600189835.db2.gz NPXZSJCJZQSUOR-LBPRGKRZSA-N -1 0 346.404 3.727 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)Nc1nc(C)c(C(=O)[O-])s1 ZINC000736927240 600190721 /nfs/dbraw/zinc/19/07/21/600190721.db2.gz BRTSUDBQDGIHOL-LLVKDONJSA-N -1 0 336.438 3.659 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N(C)[C@@H](C(=O)[O-])c3ccccc3)cc2c1C ZINC000738664707 600196038 /nfs/dbraw/zinc/19/60/38/600196038.db2.gz MCVWMKVIAMNQMJ-GOSISDBHSA-N -1 0 336.391 3.683 20 0 EHADRM O=C([O-])NCCCC(=O)OCc1ccccc1Oc1ccccc1 ZINC000739975451 600197661 /nfs/dbraw/zinc/19/76/61/600197661.db2.gz PXZWAWHRXXUUJG-UHFFFAOYSA-N -1 0 329.352 3.570 20 0 EHADRM CC1=C(C(=O)[O-])[C@H](c2ccccc2F)NC(=O)N1Cc1cccs1 ZINC000736752212 600205955 /nfs/dbraw/zinc/20/59/55/600205955.db2.gz VNABADJOTDJCPC-HNNXBMFYSA-N -1 0 346.383 3.512 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000237472804 600207499 /nfs/dbraw/zinc/20/74/99/600207499.db2.gz KNJZITHSHNTOED-OAHLLOKOSA-N -1 0 341.407 3.981 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000740078867 600207633 /nfs/dbraw/zinc/20/76/33/600207633.db2.gz UYQLQBRHZFDHDY-NXEZZACHSA-N -1 0 335.281 3.544 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)ccc1C(=O)[O-] ZINC000237814261 600207948 /nfs/dbraw/zinc/20/79/48/600207948.db2.gz YFJZBSWOJJTCBV-QWHCGFSZSA-N -1 0 331.318 3.714 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)CCc2ccc(C(=O)[O-])cc2)o1 ZINC000262224602 600209932 /nfs/dbraw/zinc/20/99/32/600209932.db2.gz XNMBPDQTYCYYFJ-MRXNPFEDSA-N -1 0 327.380 3.583 20 0 EHADRM CCCCS[C@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000598669903 600211707 /nfs/dbraw/zinc/21/17/07/600211707.db2.gz RCAMKPAEFRVNMY-SECBINFHSA-N -1 0 347.383 3.847 20 0 EHADRM Cc1ccc(CCNC(=O)c2ccccc2S[C@H](C)C(=O)[O-])cc1 ZINC000237374909 600212775 /nfs/dbraw/zinc/21/27/75/600212775.db2.gz ZXPMFGXXZXXEAD-CQSZACIVSA-N -1 0 343.448 3.533 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2cc3c(cccc3F)s2)c2ccccc21 ZINC000391661892 600215868 /nfs/dbraw/zinc/21/58/68/600215868.db2.gz FPCNAYMNLKLZAN-LBPRGKRZSA-N -1 0 341.363 3.869 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000192946926 600217230 /nfs/dbraw/zinc/21/72/30/600217230.db2.gz CMYFJEWMNASJED-CZUORRHYSA-N -1 0 341.432 3.523 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2)c2ccccc21 ZINC000177481948 600220744 /nfs/dbraw/zinc/22/07/44/600220744.db2.gz DCXQUBXGKJMWGF-ZDUSSCGKSA-N -1 0 336.174 3.822 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2ccccc2C(F)(F)F)c2ccccc21 ZINC000391683911 600221169 /nfs/dbraw/zinc/22/11/69/600221169.db2.gz ZLSLXJBHSZYDPG-GFCCVEGCSA-N -1 0 335.281 3.534 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)CSc2ccccc2Cl)c2ccccc21 ZINC000177473791 600226174 /nfs/dbraw/zinc/22/61/74/600226174.db2.gz ORDZHGOEQZIAID-LBPRGKRZSA-N -1 0 347.823 3.647 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)CCCc2c[nH]c3ccccc23)c2ccccc21 ZINC000177483005 600226956 /nfs/dbraw/zinc/22/69/56/600226956.db2.gz KNNGXYXHXYFTAR-KRWDZBQOSA-N -1 0 348.402 3.706 20 0 EHADRM O=C([O-])c1ccc(Cl)cc1OC(=O)c1nccc2ccccc21 ZINC000740134691 600242195 /nfs/dbraw/zinc/24/21/95/600242195.db2.gz ITMXAJKEFIBDEJ-UHFFFAOYSA-N -1 0 327.723 3.806 20 0 EHADRM C[C@@H](Oc1ccccc1F)c1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000736709859 600245960 /nfs/dbraw/zinc/24/59/60/600245960.db2.gz XIGYUZAUSVBAGL-SNVBAGLBSA-N -1 0 328.299 3.714 20 0 EHADRM CC(C)(C(=O)Nc1ccc(OCC(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000499175419 600247197 /nfs/dbraw/zinc/24/71/97/600247197.db2.gz ZQDZQMAIKBJZRJ-UHFFFAOYSA-N -1 0 347.798 3.720 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCc2cc(Cl)cs2)c(F)cc1F ZINC000739251054 600247212 /nfs/dbraw/zinc/24/72/12/600247212.db2.gz FMHZQDDEAJQRMF-UHFFFAOYSA-N -1 0 345.754 3.949 20 0 EHADRM CC(C)c1cccc(NC(=S)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC000736520355 600248373 /nfs/dbraw/zinc/24/83/73/600248373.db2.gz DXRSBKHPZDKTOB-OAHLLOKOSA-N -1 0 332.469 3.694 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCc2cc(Cl)cs2)c(F)c1 ZINC000479519324 600251591 /nfs/dbraw/zinc/25/15/91/600251591.db2.gz SVPLLAPRJBSDRZ-UHFFFAOYSA-N -1 0 327.764 3.810 20 0 EHADRM Cc1cc(NC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)c(C(=O)[O-])[nH]1 ZINC000738421944 600252722 /nfs/dbraw/zinc/25/27/22/600252722.db2.gz ILBAHHKOXLQRPN-HOTGVXAUSA-N -1 0 334.375 3.917 20 0 EHADRM C/C(=C\C(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1)c1cccc(F)c1 ZINC000736121447 600259890 /nfs/dbraw/zinc/25/98/90/600259890.db2.gz QWSQSGDFVWNXCD-PMXLPMHFSA-N -1 0 341.382 3.522 20 0 EHADRM CC(C)(CCCc1ccccc1)CNC(=O)c1ccc(C(=O)[O-])cn1 ZINC000736320397 600262266 /nfs/dbraw/zinc/26/22/66/600262266.db2.gz QSCURJIJMQRSKM-UHFFFAOYSA-N -1 0 340.423 3.559 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000738965806 600268509 /nfs/dbraw/zinc/26/85/09/600268509.db2.gz LWRFAIHIWUKSAK-UHFFFAOYSA-N -1 0 331.299 3.572 20 0 EHADRM CC(C)c1ccc(CCCNC(=O)N2CCC(CC(=O)[O-])CC2)cc1 ZINC000736514096 600270943 /nfs/dbraw/zinc/27/09/43/600270943.db2.gz LWMGKTVVDIPNQZ-UHFFFAOYSA-N -1 0 346.471 3.639 20 0 EHADRM C[C@H](Sc1nc2ccc(C(=O)[O-])cc2o1)C(=O)Nc1ccccc1 ZINC000736716352 600276307 /nfs/dbraw/zinc/27/63/07/600276307.db2.gz KXQSBLWAMPOCSP-JTQLQIEISA-N -1 0 342.376 3.645 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)N[C@H](Cc2ccccc2)C2CC2)c1 ZINC000740042955 600276893 /nfs/dbraw/zinc/27/68/93/600276893.db2.gz MXSABEMGHKJSKE-QGZVFWFLSA-N -1 0 339.395 3.919 20 0 EHADRM CC[C@](C)(NC(=O)c1ccc(-c2ccc(F)cc2C)c(F)c1)C(=O)[O-] ZINC000362346923 600280755 /nfs/dbraw/zinc/28/07/55/600280755.db2.gz PQKJEIQUVFDQFW-IBGZPJMESA-N -1 0 347.361 3.923 20 0 EHADRM Cc1cc(Cl)c(C(C)C)cc1OCc1noc(CCC(=O)[O-])n1 ZINC000738395288 600282440 /nfs/dbraw/zinc/28/24/40/600282440.db2.gz RVDPAOYLOLPSHF-UHFFFAOYSA-N -1 0 338.791 3.751 20 0 EHADRM CN(Cc1ccc(NC(=O)CCCc2cccs2)cc1)C(=O)[O-] ZINC000737479269 600282718 /nfs/dbraw/zinc/28/27/18/600282718.db2.gz QWCGDQRWGUBNPC-UHFFFAOYSA-N -1 0 332.425 3.819 20 0 EHADRM Cc1cccc(C2(C(=O)Nc3ccc(CN(C)C(=O)[O-])cc3)CC2)c1 ZINC000738688254 600283142 /nfs/dbraw/zinc/28/31/42/600283142.db2.gz XQJJOBMNZREGJW-UHFFFAOYSA-N -1 0 338.407 3.775 20 0 EHADRM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cc1 ZINC000738637615 600283188 /nfs/dbraw/zinc/28/31/88/600283188.db2.gz KHWBHJDELDIFBK-AWEZNQCLSA-N -1 0 342.395 3.511 20 0 EHADRM CN(Cc1ccc(NC(=O)C(C)(C)c2cccs2)cc1)C(=O)[O-] ZINC000737476994 600284362 /nfs/dbraw/zinc/28/43/62/600284362.db2.gz DSFHOQAUADQRJF-UHFFFAOYSA-N -1 0 332.425 3.774 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N(Cc2ccncc2)C2CC2)c1 ZINC000740075143 600288471 /nfs/dbraw/zinc/28/84/71/600288471.db2.gz YVTJMZGSLJWECQ-UHFFFAOYSA-N -1 0 345.786 3.630 20 0 EHADRM Cc1ccc(C)c(SCC(=O)Nc2ccc(CNC(=O)[O-])cc2)c1 ZINC000738579823 600293079 /nfs/dbraw/zinc/29/30/79/600293079.db2.gz VUHKKYISYICTCD-UHFFFAOYSA-N -1 0 344.436 3.802 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(Cc1csc(C3CCCCC3)n1)CC2 ZINC000566358423 600293395 /nfs/dbraw/zinc/29/33/95/600293395.db2.gz VYUYMERZSJXPTE-HNNXBMFYSA-N -1 0 334.485 3.878 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)C[C@H]2CCc3ccccc3C2)cc1 ZINC000739987059 600294568 /nfs/dbraw/zinc/29/45/68/600294568.db2.gz UBYVWRZSRCTOEH-HNNXBMFYSA-N -1 0 338.407 3.588 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(C(=O)NCCCCC(=O)[O-])cc1F ZINC000237648763 600303731 /nfs/dbraw/zinc/30/37/31/600303731.db2.gz ZOOIOBYANVPUOS-UHFFFAOYSA-N -1 0 347.361 3.925 20 0 EHADRM Cc1[nH]c2ccccc2c1C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000738246437 600305047 /nfs/dbraw/zinc/30/50/47/600305047.db2.gz GMSOYCRMXUIELB-UHFFFAOYSA-N -1 0 337.379 3.838 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1 ZINC000739992209 600309124 /nfs/dbraw/zinc/30/91/24/600309124.db2.gz PNIRFIKUHXSAJU-UHFFFAOYSA-N -1 0 343.770 3.841 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000740292241 600321737 /nfs/dbraw/zinc/32/17/37/600321737.db2.gz OOGCSKIBSYIZGM-CYBMUJFWSA-N -1 0 325.147 3.976 20 0 EHADRM O=C([O-])[C@@H](OC(=O)Cc1cc2ccccc2o1)c1cccc(Cl)c1 ZINC000739341259 600328015 /nfs/dbraw/zinc/32/80/15/600328015.db2.gz IHFIAXWZWLIWST-KRWDZBQOSA-N -1 0 344.750 3.998 20 0 EHADRM CC(=O)c1csc(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000736195599 600329569 /nfs/dbraw/zinc/32/95/69/600329569.db2.gz AGRYIDOHDWMKLN-ZDUSSCGKSA-N -1 0 338.768 3.587 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@@H]1CCOc2ccccc21)c1cccc(Cl)c1 ZINC000740289824 600329933 /nfs/dbraw/zinc/32/99/33/600329933.db2.gz GUWMIBQSTKZMPY-GDBMZVCRSA-N -1 0 346.766 3.575 20 0 EHADRM COc1c(Cl)cccc1NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737839584 600338187 /nfs/dbraw/zinc/33/81/87/600338187.db2.gz LWENFRJJKCKCFM-UHFFFAOYSA-N -1 0 349.774 3.760 20 0 EHADRM CC(C)C[C@@H]1CCCN1C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736425448 600341250 /nfs/dbraw/zinc/34/12/50/600341250.db2.gz KCCYLBXYELXSFA-INIZCTEOSA-N -1 0 333.432 3.839 20 0 EHADRM C[C@H](CCc1ccco1)NC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736563008 600341593 /nfs/dbraw/zinc/34/15/93/600341593.db2.gz VDZYFNLYQAQQHL-CYBMUJFWSA-N -1 0 345.399 3.532 20 0 EHADRM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736823910 600348122 /nfs/dbraw/zinc/34/81/22/600348122.db2.gz FXUFUDAACGXYMQ-YVEFUNNKSA-N -1 0 339.395 3.509 20 0 EHADRM O=C([O-])CCCc1nc(CSCc2ccc(F)cc2Cl)no1 ZINC000739701886 600350901 /nfs/dbraw/zinc/35/09/01/600350901.db2.gz HKZYAIRPEXDPSK-UHFFFAOYSA-N -1 0 344.795 3.703 20 0 EHADRM O=C([O-])CCCc1nc(CSCc2ccc(Cl)s2)no1 ZINC000739701434 600351028 /nfs/dbraw/zinc/35/10/28/600351028.db2.gz BGVHPVSJPPWDME-UHFFFAOYSA-N -1 0 332.834 3.625 20 0 EHADRM CCC[C@H](NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)C1CCCCC1 ZINC000736972454 600351665 /nfs/dbraw/zinc/35/16/65/600351665.db2.gz FUAUWRYFMOPSSG-CVEARBPZSA-N -1 0 336.476 3.632 20 0 EHADRM CN(C(=O)Nc1ccc(CNC(=O)[O-])cc1)[C@@H]1CCc2ccccc21 ZINC000737330828 600357891 /nfs/dbraw/zinc/35/78/91/600357891.db2.gz UIMADJZWEXQXQM-QGZVFWFLSA-N -1 0 339.395 3.605 20 0 EHADRM Cc1cc(C)cc(OCCCOc2ccc(C(=O)[O-])cc2C=O)c1 ZINC000738363946 600363014 /nfs/dbraw/zinc/36/30/14/600363014.db2.gz LLTGWEDTVCCYRZ-UHFFFAOYSA-N -1 0 328.364 3.662 20 0 EHADRM CC[C@H](CC(=O)Nc1nc(C)c(C(=O)[O-])s1)c1ccc(C)cc1 ZINC000736891898 600367919 /nfs/dbraw/zinc/36/79/19/600367919.db2.gz ILOPUSARYPUUKV-GFCCVEGCSA-N -1 0 332.425 3.981 20 0 EHADRM Cc1cc(NC(=O)Cc2c[nH]c3cccc(C)c23)sc1C(=O)[O-] ZINC000738237145 600369932 /nfs/dbraw/zinc/36/99/32/600369932.db2.gz CJOFSHXMDNRZIT-UHFFFAOYSA-N -1 0 328.393 3.726 20 0 EHADRM Cc1cc(NC(=O)Cc2csc(C(C)(C)C)n2)sc1C(=O)[O-] ZINC000738238987 600369993 /nfs/dbraw/zinc/36/99/93/600369993.db2.gz XZTMEGAPCWFXDX-UHFFFAOYSA-N -1 0 338.454 3.690 20 0 EHADRM Cc1cc(NC(=O)Cc2c[nH]c3cc(C)ccc23)sc1C(=O)[O-] ZINC000738293350 600370808 /nfs/dbraw/zinc/37/08/08/600370808.db2.gz PDXMRWWGNGERIU-UHFFFAOYSA-N -1 0 328.393 3.726 20 0 EHADRM Cc1cc(NC(=O)c2ccc(-c3cnco3)cc2)sc1C(=O)[O-] ZINC000738449163 600372962 /nfs/dbraw/zinc/37/29/62/600372962.db2.gz VTFORDIZQONIFU-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2coc(-c3ccccc3)n2)ccc1Cl ZINC000676000454 600374602 /nfs/dbraw/zinc/37/46/02/600374602.db2.gz AENUNWBRCXLVRF-UHFFFAOYSA-N -1 0 342.738 3.946 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000236747892 600379275 /nfs/dbraw/zinc/37/92/75/600379275.db2.gz AZVGRKJKIUCQKN-CYBMUJFWSA-N -1 0 329.396 3.911 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)Cc1ccc(Cl)cc1)c1ccccc1 ZINC000736852272 600380457 /nfs/dbraw/zinc/38/04/57/600380457.db2.gz MRYXZOZKKMEEEA-MRXNPFEDSA-N -1 0 331.799 3.779 20 0 EHADRM COc1ccc(NC(=O)/C=C/c2ccnc3ccccc23)c(C(=O)[O-])c1 ZINC000738027715 600382875 /nfs/dbraw/zinc/38/28/75/600382875.db2.gz FCXMNRADUISYHL-RMKNXTFCSA-N -1 0 348.358 3.594 20 0 EHADRM Cc1cc(NC(=O)/C=C\c2ccnc3ccccc23)ccc1C(=O)[O-] ZINC000738425465 600383216 /nfs/dbraw/zinc/38/32/16/600383216.db2.gz SIIXEEBGHYZEMS-TWGQIWQCSA-N -1 0 332.359 3.893 20 0 EHADRM Cc1cc(NC(=O)/C=C/c2ccnc3ccccc23)ccc1C(=O)[O-] ZINC000237825290 600383344 /nfs/dbraw/zinc/38/33/44/600383344.db2.gz SIIXEEBGHYZEMS-RMKNXTFCSA-N -1 0 332.359 3.893 20 0 EHADRM O=C([O-])c1cc(NC(=O)NCCc2cccc(Cl)c2)ccc1F ZINC000739433164 600384764 /nfs/dbraw/zinc/38/47/64/600384764.db2.gz WWQWJMOSWHTFOF-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)N(c1ccccc1)[C@@H](CC)C(=O)[O-] ZINC000736928470 600386123 /nfs/dbraw/zinc/38/61/23/600386123.db2.gz TVPNLAIHEWCMFW-IRXDYDNUSA-N -1 0 333.428 3.621 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)c2cc3cc(F)ccc3o2)cc1 ZINC000740021163 600386603 /nfs/dbraw/zinc/38/66/03/600386603.db2.gz WWBUBWLYVPYUPY-UHFFFAOYSA-N -1 0 342.326 3.634 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000736850898 600387719 /nfs/dbraw/zinc/38/77/19/600387719.db2.gz YFONIUPESKGNCE-KZNAEPCWSA-N -1 0 341.382 3.826 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)/C=C/c2ccnc3ccccc23)cc1 ZINC000739987083 600389765 /nfs/dbraw/zinc/38/97/65/600389765.db2.gz ULFCLDXCPXGYNQ-JXMROGBWSA-N -1 0 347.374 3.654 20 0 EHADRM Cc1ccoc1C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000237765944 600392527 /nfs/dbraw/zinc/39/25/27/600392527.db2.gz PRPOTWLVNVMMHI-OAHLLOKOSA-N -1 0 329.396 3.831 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)N[C@H](C)c1cccc(Cl)c1Cl ZINC000736420649 600396123 /nfs/dbraw/zinc/39/61/23/600396123.db2.gz IZCTYFNQEZIETC-BXKDBHETSA-N -1 0 347.242 3.853 20 0 EHADRM CCc1ccc([C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000737259301 600399205 /nfs/dbraw/zinc/39/92/05/600399205.db2.gz OHONIMOBUMUZNG-LLVKDONJSA-N -1 0 330.359 3.969 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)CC/C=C\c2ccccc2)C(=O)[O-])cc1 ZINC000486405137 600399821 /nfs/dbraw/zinc/39/98/21/600399821.db2.gz NBQDSCLSGVZSIS-FVXMCEBTSA-N -1 0 337.419 3.773 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N(Cc2ccc(F)cc2)C2CC2)c(F)c1 ZINC000740146897 600401704 /nfs/dbraw/zinc/40/17/04/600401704.db2.gz ISBYNSXAFOEMPA-UHFFFAOYSA-N -1 0 346.333 3.860 20 0 EHADRM CC[C@H](C)[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736871024 600408194 /nfs/dbraw/zinc/40/81/94/600408194.db2.gz NKIWEYLRQOGXHB-DTWKUNHWSA-N -1 0 330.331 3.542 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)s1 ZINC000237764412 600408422 /nfs/dbraw/zinc/40/84/22/600408422.db2.gz NXWSOQAZRDGIDA-UHFFFAOYSA-N -1 0 341.335 3.917 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000236579149 600417947 /nfs/dbraw/zinc/41/79/47/600417947.db2.gz NBMOXFYFLLUGOW-UHFFFAOYSA-N -1 0 341.407 3.639 20 0 EHADRM O=C([O-])[C@@H](Nc1ccc(NC(=O)C2CC2)cc1)c1cccc(Cl)c1 ZINC000739474236 600419915 /nfs/dbraw/zinc/41/99/15/600419915.db2.gz COINTOBVFSNGKM-INIZCTEOSA-N -1 0 344.798 3.926 20 0 EHADRM O=C([O-])[C@H](Nc1cccc(N2CCCCC2=O)c1)c1ccc(F)cc1 ZINC000739511492 600423277 /nfs/dbraw/zinc/42/32/77/600423277.db2.gz HKGJWGHJFXEEFE-GOSISDBHSA-N -1 0 342.370 3.580 20 0 EHADRM CCCc1c(C(=O)N2CCC[C@@]3(CC=CCC3)C2)[nH]c(C)c1C(=O)[O-] ZINC000737039956 600424584 /nfs/dbraw/zinc/42/45/84/600424584.db2.gz DLGDKUNVNLHDBG-FQEVSTJZSA-N -1 0 344.455 3.936 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC000736928501 600425613 /nfs/dbraw/zinc/42/56/13/600425613.db2.gz KJKSJGQZHCSRMM-HNNXBMFYSA-N -1 0 342.395 3.699 20 0 EHADRM COCCOc1cccc(N[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000737821070 600425984 /nfs/dbraw/zinc/42/59/84/600425984.db2.gz NAPLFRNWWBEXRU-INIZCTEOSA-N -1 0 335.787 3.603 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C[C@H]1CCc2ccccc2C1 ZINC000262959441 600426146 /nfs/dbraw/zinc/42/61/46/600426146.db2.gz JXYJWFVTKJSCOT-INIZCTEOSA-N -1 0 337.419 3.538 20 0 EHADRM O=C([O-])c1cc(NC(=O)C[C@H]2CCc3ccccc3C2)ccc1F ZINC000739223885 600426676 /nfs/dbraw/zinc/42/66/76/600426676.db2.gz WCKXYEAHGSUJLR-LBPRGKRZSA-N -1 0 327.355 3.658 20 0 EHADRM CC[C@@H]1c2ccccc2CCN1Cn1nc(C(=O)[O-])c(Cl)c1C ZINC000736950544 600427646 /nfs/dbraw/zinc/42/76/46/600427646.db2.gz OYFCCXYRXUEMHN-CQSZACIVSA-N -1 0 333.819 3.510 20 0 EHADRM CC1(C)CCC(C)(C)c2cc(C(=O)N3CCC(C(=O)[O-])CC3)ccc21 ZINC000236740472 600428996 /nfs/dbraw/zinc/42/89/96/600428996.db2.gz UGVSTXKVJJCAKJ-UHFFFAOYSA-N -1 0 343.467 3.972 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)c2ccccc2Nc2ccccc2)c1 ZINC000740244203 600432305 /nfs/dbraw/zinc/43/23/05/600432305.db2.gz IKBROGSWSWOWQB-UHFFFAOYSA-N -1 0 333.347 3.776 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)NC(C2CCCC2)C2CCCC2)o1 ZINC000739440300 600441097 /nfs/dbraw/zinc/44/10/97/600441097.db2.gz DLAFASHNYGFDKI-UHFFFAOYSA-N -1 0 334.416 3.526 20 0 EHADRM Cc1ccccc1SCC(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738784256 600443595 /nfs/dbraw/zinc/44/35/95/600443595.db2.gz CAVWMXSERQTXTQ-INIZCTEOSA-N -1 0 334.368 3.595 20 0 EHADRM Cc1ccc(SCC(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)c(C)c1 ZINC000738667938 600443719 /nfs/dbraw/zinc/44/37/19/600443719.db2.gz LQBQMAXSRBELEP-QGZVFWFLSA-N -1 0 348.395 3.904 20 0 EHADRM Cc1cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)c2ccccc2n1 ZINC000738347477 600443730 /nfs/dbraw/zinc/44/37/30/600443730.db2.gz NAILHZBKMIHANR-QGZVFWFLSA-N -1 0 339.322 3.665 20 0 EHADRM O=C([O-])[C@@H](OC(=O)Cc1cccc2ccccc21)c1ccc(F)cc1 ZINC000739345224 600444473 /nfs/dbraw/zinc/44/44/73/600444473.db2.gz OASVAGJKNQFPNP-IBGZPJMESA-N -1 0 338.334 3.891 20 0 EHADRM O=C([O-])[C@H](OC(=O)/C=C\c1ccccc1Cl)c1ccc(F)cc1 ZINC000739215737 600444520 /nfs/dbraw/zinc/44/45/20/600444520.db2.gz LCFNBOQZEGMACF-BSDKJSHOSA-N -1 0 334.730 3.861 20 0 EHADRM Cc1cc2[nH]c(C(=O)O[C@H](C(=O)[O-])c3ccc(F)cc3)cc2c(C)c1 ZINC000738357225 600449354 /nfs/dbraw/zinc/44/93/54/600449354.db2.gz FVWGFEAITNJCAB-KRWDZBQOSA-N -1 0 341.338 3.907 20 0 EHADRM Cc1c2ccccc2oc1[C@H](NC(=O)CCSCC(=O)[O-])C(C)C ZINC000738288841 600450120 /nfs/dbraw/zinc/45/01/20/600450120.db2.gz IRYPMVUMSYTIIJ-QGZVFWFLSA-N -1 0 349.452 3.762 20 0 EHADRM CC(C)(C)c1ncc(C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)s1 ZINC000736303419 600452566 /nfs/dbraw/zinc/45/25/66/600452566.db2.gz JUNCCARFHJYJAK-LBPRGKRZSA-N -1 0 337.372 3.562 20 0 EHADRM O=C([O-])c1cccc(COC(=O)/C=C/c2ccnc3ccccc23)c1 ZINC000739215304 600458758 /nfs/dbraw/zinc/45/87/58/600458758.db2.gz IKZNROMUOQUNPK-CMDGGOBGSA-N -1 0 333.343 3.690 20 0 EHADRM CC[C@H](C)[C@H](C(=O)N(C)c1nc(CC(=O)[O-])cs1)c1ccccc1 ZINC000736868882 600470231 /nfs/dbraw/zinc/47/02/31/600470231.db2.gz BWHMRWXSIWQOHS-LRDDRELGSA-N -1 0 346.452 3.563 20 0 EHADRM CC[C@@H](C)[C@@H]1CCCCN1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000736879272 600474410 /nfs/dbraw/zinc/47/44/10/600474410.db2.gz COEJPXPPBXVKOF-CJNGLKHVSA-N -1 0 334.416 3.583 20 0 EHADRM CC[C@H](c1ccncc1)N(C)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000736928816 600475432 /nfs/dbraw/zinc/47/54/32/600475432.db2.gz GLLANLNEVJUKFT-OAHLLOKOSA-N -1 0 349.337 3.673 20 0 EHADRM CC[C@H](c1ccncc1)N(C)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000736930703 600476917 /nfs/dbraw/zinc/47/69/17/600476917.db2.gz YGJBFHNUFJBNDY-OAHLLOKOSA-N -1 0 328.372 3.787 20 0 EHADRM CC(C)(CNC(=O)CCc1ccc(C(=O)[O-])cc1)c1cccc(F)c1 ZINC000236651116 600477244 /nfs/dbraw/zinc/47/72/44/600477244.db2.gz YVDZXCGVUBLXCV-UHFFFAOYSA-N -1 0 343.398 3.551 20 0 EHADRM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000237602858 600478409 /nfs/dbraw/zinc/47/84/09/600478409.db2.gz NJEWBEWOASPQSJ-NSHDSACASA-N -1 0 333.771 3.753 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)Nc1ccc(OC)cc1C(=O)[O-] ZINC000736904299 600478914 /nfs/dbraw/zinc/47/89/14/600478914.db2.gz RPPNMPYKMQMMNJ-AWEZNQCLSA-N -1 0 327.380 3.601 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000736904847 600478938 /nfs/dbraw/zinc/47/89/38/600478938.db2.gz ZKEFKSOFXFTYDV-INIZCTEOSA-N -1 0 341.407 3.666 20 0 EHADRM CCc1nc(C)c(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)s1 ZINC000263112750 600479612 /nfs/dbraw/zinc/47/96/12/600479612.db2.gz BKLAVZZCCRFHJD-UHFFFAOYSA-N -1 0 348.424 3.510 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)CSc2ccccc2)cc1 ZINC000345777903 600480978 /nfs/dbraw/zinc/48/09/78/600480978.db2.gz MXPIMOJQKMYJNG-UHFFFAOYSA-N -1 0 345.420 3.661 20 0 EHADRM CCC[C@](C)(NC(=O)c1cccc(Nc2ccccc2)c1)C(=O)[O-] ZINC000736961648 600484491 /nfs/dbraw/zinc/48/44/91/600484491.db2.gz VTBMQURGDGQDCV-IBGZPJMESA-N -1 0 326.396 3.803 20 0 EHADRM Cc1noc(Cl)c1CCC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000136721581 600486342 /nfs/dbraw/zinc/48/63/42/600486342.db2.gz GADJRYGCGAULPA-UHFFFAOYSA-N -1 0 343.166 3.559 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000236946001 600491113 /nfs/dbraw/zinc/49/11/13/600491113.db2.gz SCPXCQFLKUSNPW-UHFFFAOYSA-N -1 0 349.333 3.694 20 0 EHADRM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)NCCCCC(=O)[O-])cc1 ZINC000666562021 600492310 /nfs/dbraw/zinc/49/23/10/600492310.db2.gz NTXYXXOIBRBWPW-QAPCUYQASA-N -1 0 332.444 3.733 20 0 EHADRM Cc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000263224942 600496335 /nfs/dbraw/zinc/49/63/35/600496335.db2.gz LNFQZFWJFHSKLO-NVXWUHKLSA-N -1 0 332.444 3.588 20 0 EHADRM Cc1cc(NC(=O)NC[C@H]2CCCO[C@@H]2C(C)(C)C)ccc1C(=O)[O-] ZINC000738439316 600505873 /nfs/dbraw/zinc/50/58/73/600505873.db2.gz CXMNMBVZWYTANO-CJNGLKHVSA-N -1 0 348.443 3.656 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)NCCOC2CCCCCC2)cc1 ZINC000737333018 600506097 /nfs/dbraw/zinc/50/60/97/600506097.db2.gz TVPCWUAAJOMBLS-UHFFFAOYSA-N -1 0 349.431 3.662 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCC2(c3ccccc3)CC2)cc1Cl ZINC000739407610 600507508 /nfs/dbraw/zinc/50/75/08/600507508.db2.gz PEDMOVIGTSWQKC-UHFFFAOYSA-N -1 0 344.798 3.892 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NC2(c3ccccc3)CC2)cc1Cl ZINC000739465182 600514522 /nfs/dbraw/zinc/51/45/22/600514522.db2.gz SUUMAVWEXNIKOT-UHFFFAOYSA-N -1 0 330.771 3.849 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)[C@H](C)c1cccc(C)c1 ZINC000737871212 600522839 /nfs/dbraw/zinc/52/28/39/600522839.db2.gz IVHHHGBLRJAFSV-QSYFUGGGSA-N -1 0 340.375 3.811 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)c1 ZINC000739339185 600522890 /nfs/dbraw/zinc/52/28/90/600522890.db2.gz RDESYCZXXVLKEB-UHFFFAOYSA-N -1 0 346.745 3.840 20 0 EHADRM CCN(C(=O)[C@@H](C)Oc1ccc(C)cc1)c1ccccc1C(=O)[O-] ZINC000737049780 600523053 /nfs/dbraw/zinc/52/30/53/600523053.db2.gz IFGMSKHFYJOGFW-CQSZACIVSA-N -1 0 327.380 3.514 20 0 EHADRM CCOc1ccccc1NCc1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000737217708 600523767 /nfs/dbraw/zinc/52/37/67/600523767.db2.gz HQZVQUUVMLHHSQ-UHFFFAOYSA-N -1 0 329.396 3.778 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N[C@H]1C[C@H](C)C[C@H](C)C1)C(=O)[O-] ZINC000630292730 600530390 /nfs/dbraw/zinc/53/03/90/600530390.db2.gz FBFWZMLEPOBEHG-RFQIPJPRSA-N -1 0 335.469 3.806 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)C(=O)[O-] ZINC000675985900 600530413 /nfs/dbraw/zinc/53/04/13/600530413.db2.gz GGMRJEKAJMBVHX-LBPRGKRZSA-N -1 0 343.210 3.704 20 0 EHADRM CCN(C(=O)c1cccc(-n2cccc2)c1)c1ccccc1C(=O)[O-] ZINC000737059290 600531584 /nfs/dbraw/zinc/53/15/84/600531584.db2.gz MAVNZXJMMWHZDV-UHFFFAOYSA-N -1 0 334.375 3.842 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1cc2c(s1)-c1ccccc1CC2)C(=O)[O-] ZINC000736244369 600534218 /nfs/dbraw/zinc/53/42/18/600534218.db2.gz YUXHZPCUMFZVFR-MRXNPFEDSA-N -1 0 343.448 3.743 20 0 EHADRM CC[C@H](NC(=O)NCc1ccc(C(=O)[O-])o1)c1ccc(Cl)cc1 ZINC000736914550 600534546 /nfs/dbraw/zinc/53/45/46/600534546.db2.gz VLEXQDAOMMVNBC-ZDUSSCGKSA-N -1 0 336.775 3.582 20 0 EHADRM O=C([O-])c1sc2ccccc2c1COC(=O)CC1(O)CCCCC1 ZINC000739216743 600537696 /nfs/dbraw/zinc/53/76/96/600537696.db2.gz QGOJYYKOZAVYBX-UHFFFAOYSA-N -1 0 348.420 3.728 20 0 EHADRM Cc1ccccc1C[C@@H]1CCCN1C(=O)NCCCCCCC(=O)[O-] ZINC000738767838 600545452 /nfs/dbraw/zinc/54/54/52/600545452.db2.gz KSBDOJCFCGZERD-SFHVURJKSA-N -1 0 346.471 3.747 20 0 EHADRM CC(C)n1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCCC3)n1 ZINC000736533216 600552934 /nfs/dbraw/zinc/55/29/34/600552934.db2.gz VJPKQXKFEHJTTC-UHFFFAOYSA-N -1 0 347.440 3.745 20 0 EHADRM CN(CCOc1cccc(Cl)c1)C(=O)c1ccccc1NC(=O)[O-] ZINC000737450189 600567147 /nfs/dbraw/zinc/56/71/47/600567147.db2.gz VVBWIAJUTQHVDC-UHFFFAOYSA-N -1 0 348.786 3.581 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)NCc1ccccc1C(F)(F)F ZINC000740045794 600569305 /nfs/dbraw/zinc/56/93/05/600569305.db2.gz KYEGEDYQYAQCDA-UHFFFAOYSA-N -1 0 338.285 3.725 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OC(=O)C[C@H]1OCCc2ccccc21 ZINC000739226874 600571646 /nfs/dbraw/zinc/57/16/46/600571646.db2.gz WENMDNKDDBREIS-MRXNPFEDSA-N -1 0 346.766 3.648 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)NCc1cc2ccccc2s1 ZINC000740045323 600574661 /nfs/dbraw/zinc/57/46/61/600574661.db2.gz HYEXGHOMHKYVOH-UHFFFAOYSA-N -1 0 326.377 3.921 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000191600109 600579787 /nfs/dbraw/zinc/57/97/87/600579787.db2.gz HUDIPJQUPMEHGU-BEFAXECRSA-N -1 0 337.419 3.722 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=S)NCCc2cccs2)c1 ZINC000740072933 600583341 /nfs/dbraw/zinc/58/33/41/600583341.db2.gz WYLCMCHXAQERJY-UHFFFAOYSA-N -1 0 340.857 3.629 20 0 EHADRM C[C@@H](CC(=O)[O-])SC[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000736553530 600586906 /nfs/dbraw/zinc/58/69/06/600586906.db2.gz YQUUHNFQEDPVGB-KBPBESRZSA-N -1 0 343.448 3.752 20 0 EHADRM COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)S[C@H](C)CC(=O)[O-] ZINC000737887500 600587343 /nfs/dbraw/zinc/58/73/43/600587343.db2.gz VLNHUQFGISUTDU-ZJUUUORDSA-N -1 0 345.848 3.580 20 0 EHADRM CC(C)(C)c1csc(CCNC(=O)c2ccccc2NC(=O)[O-])n1 ZINC000736299683 600588621 /nfs/dbraw/zinc/58/86/21/600588621.db2.gz POVYTJCTZYYJBN-UHFFFAOYSA-N -1 0 347.440 3.503 20 0 EHADRM C[C@H](CC(=O)[O-])S[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000736551799 600589231 /nfs/dbraw/zinc/58/92/31/600589231.db2.gz KPJGOTKSCXFJGH-BDAKNGLRSA-N -1 0 335.347 3.629 20 0 EHADRM CN(C(=O)CCSc1ccccc1F)[C@H](C(=O)[O-])c1ccccc1 ZINC000737319466 600590687 /nfs/dbraw/zinc/59/06/87/600590687.db2.gz JTISDHKYSKOXCT-KRWDZBQOSA-N -1 0 347.411 3.592 20 0 EHADRM C/C(=C\C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1 ZINC000736116642 600591005 /nfs/dbraw/zinc/59/10/05/600591005.db2.gz CVMBROMRQKIIDV-HHNLSAEISA-N -1 0 327.355 3.513 20 0 EHADRM CCc1sc(-c2nnc(CS[C@@H](C)CC(=O)[O-])o2)cc1C ZINC000737291520 600591448 /nfs/dbraw/zinc/59/14/48/600591448.db2.gz APJVPZMRIJADBR-VIFPVBQESA-N -1 0 326.443 3.765 20 0 EHADRM C[C@H](CC(=O)[O-])SCC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000736551166 600591822 /nfs/dbraw/zinc/59/18/22/600591822.db2.gz ARPQBWDRCZPPFZ-LILOVNGRSA-N -1 0 341.281 3.697 20 0 EHADRM CCC(CC)(C(=O)N(C)C[C@@H](C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000236864891 600593488 /nfs/dbraw/zinc/59/34/88/600593488.db2.gz NWNJEKCAKWGYNV-GFCCVEGCSA-N -1 0 325.836 3.577 20 0 EHADRM C[C@H](CC(=O)[O-])S[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000736553372 600595348 /nfs/dbraw/zinc/59/53/48/600595348.db2.gz SAQKBSGRYMDIPY-SFYZADRCSA-N -1 0 336.240 3.917 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)CCSc1ccccc1Cl ZINC000037585119 600595919 /nfs/dbraw/zinc/59/59/19/600595919.db2.gz YVWHOODGPNHOKM-UHFFFAOYSA-N -1 0 329.849 3.534 20 0 EHADRM C/C(=C\C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-])C1CC1 ZINC000736122287 600598405 /nfs/dbraw/zinc/59/84/05/600598405.db2.gz ZCHAKYLRTVKKCO-BJRSVTDJSA-N -1 0 337.419 3.556 20 0 EHADRM CC/C=C(\C)C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000736949042 600600625 /nfs/dbraw/zinc/60/06/25/600600625.db2.gz PPOYWOKECYSMFM-VRXKTSEUSA-N -1 0 325.408 3.556 20 0 EHADRM CN(C(=O)/C=C/c1ccc2ccccc2n1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737315564 600602922 /nfs/dbraw/zinc/60/29/22/600602922.db2.gz WOQZYGDFVGSHGJ-FBRRREGBSA-N -1 0 346.386 3.532 20 0 EHADRM O=C([O-])CN(C(=O)CCc1ccc(-c2ccccc2)o1)c1ccccc1 ZINC000337749940 600605066 /nfs/dbraw/zinc/60/50/66/600605066.db2.gz POCJODJHKSVEBZ-UHFFFAOYSA-N -1 0 349.386 3.997 20 0 EHADRM C[C@@H](NC(=O)[C@H](C)SC[C@@H](C)C(=O)[O-])c1ccc2c(c1)CCCC2 ZINC000736615144 600605063 /nfs/dbraw/zinc/60/50/63/600605063.db2.gz FZMWNAFOAQKTQV-MCIONIFRSA-N -1 0 349.496 3.585 20 0 EHADRM CCC(CC)C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000236938468 600606672 /nfs/dbraw/zinc/60/66/72/600606672.db2.gz YPYBPHWONJVQEF-SFHVURJKSA-N -1 0 327.424 3.636 20 0 EHADRM C[C@](NC(=O)c1ccc(-c2ccccc2Cl)o1)(C(=O)[O-])C1CC1 ZINC000237457660 600613344 /nfs/dbraw/zinc/61/33/44/600613344.db2.gz FDZFFYZOTHDWIK-QGZVFWFLSA-N -1 0 333.771 3.583 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC000237522091 600616570 /nfs/dbraw/zinc/61/65/70/600616570.db2.gz KKRCEHKFOGQQTL-ABKXIKBNSA-N -1 0 344.238 3.542 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)Cc2c[nH]c3cc(F)ccc23)c1 ZINC000178256761 600622224 /nfs/dbraw/zinc/62/22/24/600622224.db2.gz QJOAKMREYQGXDC-UHFFFAOYSA-N -1 0 346.745 3.840 20 0 EHADRM O=C([O-])c1sc(N[C@H]2CCCN(c3ccccc3)C2)nc1Cl ZINC000740279938 600624555 /nfs/dbraw/zinc/62/45/55/600624555.db2.gz SVIGPBFAAZMJMV-JTQLQIEISA-N -1 0 337.832 3.576 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1cccc(C(=O)[O-])c1C)c1nccs1 ZINC000736862223 600624694 /nfs/dbraw/zinc/62/46/94/600624694.db2.gz XURPYZSOVDTKOF-MRXNPFEDSA-N -1 0 333.413 3.597 20 0 EHADRM CCSc1ccc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cn1 ZINC000737229113 600624681 /nfs/dbraw/zinc/62/46/81/600624681.db2.gz JTCOYBZCWAKARE-UHFFFAOYSA-N -1 0 336.800 3.798 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000736622159 600624724 /nfs/dbraw/zinc/62/47/24/600624724.db2.gz IJTYOUFVGMNKTC-SNVBAGLBSA-N -1 0 335.762 3.995 20 0 EHADRM C[C@]1(c2ccccc2)CCCN(C(=O)c2ccccc2NC(=O)[O-])C1 ZINC000736741344 600634844 /nfs/dbraw/zinc/63/48/44/600634844.db2.gz KQARGMQWMIEGSL-FQEVSTJZSA-N -1 0 338.407 3.970 20 0 EHADRM O=C([O-])Nc1ccc(N[C@H]2CCCN(c3cccc(F)c3)C2=O)cc1 ZINC000738665767 600639655 /nfs/dbraw/zinc/63/96/55/600639655.db2.gz CBJFJZKGMXZQEQ-INIZCTEOSA-N -1 0 343.358 3.523 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@H](C(=O)[O-])C(C)(C)C)c1 ZINC000675983009 600645372 /nfs/dbraw/zinc/64/53/72/600645372.db2.gz FITJWNCVHUNOBF-XJKSGUPXSA-N -1 0 335.444 3.501 20 0 EHADRM CCOc1cc(C(=O)N(CC)c2ccccc2C(=O)[O-])ccc1C ZINC000737181370 600647296 /nfs/dbraw/zinc/64/72/96/600647296.db2.gz BXHIFYRUDGCRFZ-UHFFFAOYSA-N -1 0 327.380 3.759 20 0 EHADRM CCN(C(=O)C[C@H]1CCc2ccccc2C1)c1ccccc1C(=O)[O-] ZINC000737052304 600647455 /nfs/dbraw/zinc/64/74/55/600647455.db2.gz ICQLMRZRYQITQK-HNNXBMFYSA-N -1 0 337.419 3.933 20 0 EHADRM CCc1ccc([C@@H]2CCCCCN2C(=O)NCCCCC(=O)[O-])o1 ZINC000666562381 600652831 /nfs/dbraw/zinc/65/28/31/600652831.db2.gz RHYXGYAJVXSBBQ-HNNXBMFYSA-N -1 0 336.432 3.724 20 0 EHADRM CCc1ccc([C@H](NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C(C)C)cc1 ZINC000392270686 600652878 /nfs/dbraw/zinc/65/28/78/600652878.db2.gz HRFDWNNLIMOSSB-FGTMMUONSA-N -1 0 331.456 3.953 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000179967434 600657375 /nfs/dbraw/zinc/65/73/75/600657375.db2.gz NYXJNGFCSRYOGT-YDHLFZDLSA-N -1 0 333.428 3.609 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H]2Cc2ccccc2Cl)C1 ZINC000245758638 600660817 /nfs/dbraw/zinc/66/08/17/600660817.db2.gz VFCLSZDUUHYPAU-ARFHVFGLSA-N -1 0 349.858 3.765 20 0 EHADRM Cc1cccc(C2(CNC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)CCCC2)c1 ZINC000498635342 600664802 /nfs/dbraw/zinc/66/48/02/600664802.db2.gz NOGXSQOUORVDLZ-SJORKVTESA-N -1 0 343.467 3.814 20 0 EHADRM CC(C)(C)OCc1cccc(CNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000179994014 600665069 /nfs/dbraw/zinc/66/50/69/600665069.db2.gz FKCCHLHIYMOJOJ-SJORKVTESA-N -1 0 347.455 3.509 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N(CCc2ccccc2)C2CCCC2)C1 ZINC000498636252 600665480 /nfs/dbraw/zinc/66/54/80/600665480.db2.gz AESXDSCIPCKSRP-ZWKOTPCHSA-N -1 0 343.467 3.891 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)C1 ZINC000245696467 600667313 /nfs/dbraw/zinc/66/73/13/600667313.db2.gz LCARVJJURSJKHV-ZMSDIMECSA-N -1 0 333.403 3.674 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccc(-c2ccccc2)[nH]1)c1ccccc1F ZINC000833351933 600667437 /nfs/dbraw/zinc/66/74/37/600667437.db2.gz QTUKPAMLOSLFQB-KRWDZBQOSA-N -1 0 339.322 3.804 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NCC(=O)Nc2ccccc2Cl)cc1 ZINC000736232162 600680529 /nfs/dbraw/zinc/68/05/29/600680529.db2.gz HHZNDWXSTIZYNJ-UHFFFAOYSA-N -1 0 346.814 3.753 20 0 EHADRM COC(=O)c1ccc(NCc2cccc3ccccc32)cc1C(=O)[O-] ZINC000737700778 600682180 /nfs/dbraw/zinc/68/21/80/600682180.db2.gz WRAJHALJAVDTCX-UHFFFAOYSA-N -1 0 335.359 3.937 20 0 EHADRM COC(=O)c1ccc(NCc2c(F)cccc2Cl)cc1C(=O)[O-] ZINC000737699145 600684221 /nfs/dbraw/zinc/68/42/21/600684221.db2.gz IAZRDOJMADHMMC-UHFFFAOYSA-N -1 0 337.734 3.576 20 0 EHADRM CC(C)C[C@H](C(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000736401184 600688623 /nfs/dbraw/zinc/68/86/23/600688623.db2.gz DNDLJVGNFYJDBZ-SFHVURJKSA-N -1 0 341.407 3.918 20 0 EHADRM CC[C@@H](C)c1ccccc1OS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000736890872 600688638 /nfs/dbraw/zinc/68/86/38/600688638.db2.gz JFDLWXLUFZQTCB-SNVBAGLBSA-N -1 0 340.422 3.728 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)cc1 ZINC000833314343 600696555 /nfs/dbraw/zinc/69/65/55/600696555.db2.gz HXCDDIRPTBWHSX-KBPBESRZSA-N -1 0 332.302 3.510 20 0 EHADRM COc1ccc2nc(-c3nc(-c4cccc(C(=O)[O-])c4)no3)ccc2c1 ZINC000832504202 600696819 /nfs/dbraw/zinc/69/68/19/600696819.db2.gz HDMKGCOJHRTGJX-UHFFFAOYSA-N -1 0 347.330 3.659 20 0 EHADRM O=C([O-])c1cccc(-c2noc([C@@H]3C[C@@H]3c3cc(F)ccc3F)n2)c1 ZINC000833327529 600698403 /nfs/dbraw/zinc/69/84/03/600698403.db2.gz BBRUAMCDMVCTSR-TZMCWYRMSA-N -1 0 342.301 3.984 20 0 EHADRM Cc1nn(-c2ccccc2)cc1-c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000833011335 600699333 /nfs/dbraw/zinc/69/93/33/600699333.db2.gz IEGUAKNNUMSLLQ-UHFFFAOYSA-N -1 0 346.346 3.596 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)s1 ZINC000432119577 600699780 /nfs/dbraw/zinc/69/97/80/600699780.db2.gz GVFJFBHJPVEWNW-GMSGAONNSA-N -1 0 339.775 3.525 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)cc1 ZINC000238064872 600706542 /nfs/dbraw/zinc/70/65/42/600706542.db2.gz PRHFPZPMPQZRDN-SIKLNZKXSA-N -1 0 349.430 3.937 20 0 EHADRM CC(C)[C@@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000262909976 600708762 /nfs/dbraw/zinc/70/87/62/600708762.db2.gz DPPJBQNAFFPEOX-DZGCQCFKSA-N -1 0 338.835 3.543 20 0 EHADRM C/C(=C/C(=O)O[C@H](C(=O)[O-])C(C)C)c1cccc(C(F)(F)F)c1 ZINC000825724241 600713479 /nfs/dbraw/zinc/71/34/79/600713479.db2.gz KQIOSIQFBFUJEH-YHAOYDPOSA-N -1 0 330.302 3.761 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC000827428039 600721628 /nfs/dbraw/zinc/72/16/28/600721628.db2.gz QLSDMHLMYVGFPH-CXAGYDPISA-N -1 0 330.355 3.764 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000827427564 600721640 /nfs/dbraw/zinc/72/16/40/600721640.db2.gz KMMXZDVCXXDEKJ-SJKOYZFVSA-N -1 0 348.345 3.903 20 0 EHADRM CCn1c(SC/C=C(\C)C(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000830415829 600725587 /nfs/dbraw/zinc/72/55/87/600725587.db2.gz BZOVCOCQQYWJAR-CSKARUKUSA-N -1 0 337.832 3.741 20 0 EHADRM Nc1c(Cl)cc(N[C@H](C(=O)[O-])c2ccccc2F)cc1Cl ZINC000833090106 600735838 /nfs/dbraw/zinc/73/58/38/600735838.db2.gz BPGDYWOPEYFVAB-ZDUSSCGKSA-N -1 0 329.158 3.953 20 0 EHADRM Cc1noc(C)c1CN[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000833020914 600743670 /nfs/dbraw/zinc/74/36/70/600743670.db2.gz DYJDPNDRJMLHHH-ZDUSSCGKSA-N -1 0 329.183 3.514 20 0 EHADRM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)NCCCCC(=O)[O-])cc1 ZINC000666563116 600744005 /nfs/dbraw/zinc/74/40/05/600744005.db2.gz SYWHQVFMEDWOJG-IAGOWNOFSA-N -1 0 332.444 3.527 20 0 EHADRM CCCCC[C@@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000736983240 600746359 /nfs/dbraw/zinc/74/63/59/600746359.db2.gz CETMBMMPLQCKEM-DLBZAZTESA-N -1 0 332.444 3.814 20 0 EHADRM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)NC2CCC(C(=O)[O-])CC2)C1 ZINC000263511694 600747973 /nfs/dbraw/zinc/74/79/73/600747973.db2.gz YYXKOMFRDWOAQK-MIOCFURKSA-N -1 0 348.418 3.562 20 0 EHADRM Cc1ncsc1CN[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000833010181 600747992 /nfs/dbraw/zinc/74/79/92/600747992.db2.gz IKIYALFEJADORA-LBPRGKRZSA-N -1 0 331.224 3.674 20 0 EHADRM O=C([O-])[C@H](Nc1ccc(CCO)cc1)c1ccc(Cl)cc1Cl ZINC000833169493 600749654 /nfs/dbraw/zinc/74/96/54/600749654.db2.gz NJEOVGOIRXULCQ-OAHLLOKOSA-N -1 0 340.206 3.766 20 0 EHADRM O=C([O-])[C@H](Nc1ccc(F)c(Br)c1)c1ccccc1F ZINC000833171418 600761624 /nfs/dbraw/zinc/76/16/24/600761624.db2.gz XTBIBBRBIKYBGW-CYBMUJFWSA-N -1 0 342.139 3.965 20 0 EHADRM Cc1ccc(S(=O)(=O)Oc2ccccc2C(C)C)cc1C(=O)[O-] ZINC000013067990 600765360 /nfs/dbraw/zinc/76/53/60/600765360.db2.gz YYTUTKSABOLZJX-UHFFFAOYSA-N -1 0 334.393 3.584 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)c1ccncc1F)CCCCC2 ZINC000738514813 600769144 /nfs/dbraw/zinc/76/91/44/600769144.db2.gz NPGSNTJNMCOZLF-UHFFFAOYSA-N -1 0 334.372 3.502 20 0 EHADRM Cc1cccc2c(CC(=O)Oc3ccc(Cl)cc3C(=O)[O-])c[nH]c21 ZINC000738747888 600769875 /nfs/dbraw/zinc/76/98/75/600769875.db2.gz OOXKJPNISMPOOK-UHFFFAOYSA-N -1 0 343.766 3.976 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1 ZINC000833287027 600774166 /nfs/dbraw/zinc/77/41/66/600774166.db2.gz BDHKAYKZACTRBC-BFYDXBDKSA-N -1 0 345.443 3.587 20 0 EHADRM Cc1cc2occ(CC(=O)NC(C)(C)CC(=O)[O-])c2cc1C(C)C ZINC000738486659 600775558 /nfs/dbraw/zinc/77/55/58/600775558.db2.gz FGGMOBJBQQYFCV-UHFFFAOYSA-N -1 0 331.412 3.777 20 0 EHADRM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000832856880 600775950 /nfs/dbraw/zinc/77/59/50/600775950.db2.gz WVFUIRARLMPRQA-CVEARBPZSA-N -1 0 348.487 3.928 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c(O)c1C ZINC000832913547 600776745 /nfs/dbraw/zinc/77/67/45/600776745.db2.gz IVFMMDOVNIRXND-UHFFFAOYSA-N -1 0 327.380 3.624 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)[C@H]2C[C@@]23CCc2ccccc23)ccc1F ZINC000833283335 600786076 /nfs/dbraw/zinc/78/60/76/600786076.db2.gz HIUCDWKUANFCKH-AUUYWEPGSA-N -1 0 340.354 3.758 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)C1 ZINC000237599383 600796823 /nfs/dbraw/zinc/79/68/23/600796823.db2.gz ISYRHXHFGKXVPS-OLZOCXBDSA-N -1 0 339.382 3.594 20 0 EHADRM Cc1ccccc1CCC(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000776674671 600803045 /nfs/dbraw/zinc/80/30/45/600803045.db2.gz KLRRVWDARWDCAT-QGZVFWFLSA-N -1 0 345.826 3.913 20 0 EHADRM Cc1ccccc1CCC(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000776674670 600803048 /nfs/dbraw/zinc/80/30/48/600803048.db2.gz KLRRVWDARWDCAT-KRWDZBQOSA-N -1 0 345.826 3.913 20 0 EHADRM Cc1ccc(S[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)cc1 ZINC000832957164 600804495 /nfs/dbraw/zinc/80/44/95/600804495.db2.gz BBZWWGKWILPMSW-ZDUSSCGKSA-N -1 0 333.434 3.652 20 0 EHADRM Cc1cccc([C@@H](C)CNC(=O)Nc2cc(C(=O)[O-])ccc2F)c1 ZINC000738689626 600809015 /nfs/dbraw/zinc/80/90/15/600809015.db2.gz DNRRXJFDGHUTII-LBPRGKRZSA-N -1 0 330.359 3.758 20 0 EHADRM CC(C)C[C@H](CNc1nn2cc(-c3ccccc3)nc2s1)C(=O)[O-] ZINC000826786040 600815793 /nfs/dbraw/zinc/81/57/93/600815793.db2.gz JKPPYDRPMCCTJQ-CYBMUJFWSA-N -1 0 344.440 3.617 20 0 EHADRM Cc1cc(C(F)(F)F)c(Nc2ccc(C(C)(C)C(=O)[O-])cc2)nn1 ZINC000832873018 600818209 /nfs/dbraw/zinc/81/82/09/600818209.db2.gz DRHCRCLQOGPVIC-UHFFFAOYSA-N -1 0 339.317 3.910 20 0 EHADRM Cc1ccc(N(C)C(C)C)c(C(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000738608282 600823082 /nfs/dbraw/zinc/82/30/82/600823082.db2.gz JWDNIWJWEJHFNJ-UHFFFAOYSA-N -1 0 326.396 3.790 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)c1 ZINC000238150704 600829188 /nfs/dbraw/zinc/82/91/88/600829188.db2.gz ACARJNGYGBOHFB-WDEREUQCSA-N -1 0 335.281 3.544 20 0 EHADRM Cc1oc(CN2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)cc1C(=O)[O-] ZINC000568066403 600835427 /nfs/dbraw/zinc/83/54/27/600835427.db2.gz YZYMBIVXOHJMPE-KUHUBIRLSA-N -1 0 343.423 3.865 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2C[C@H]2C2CCCCC2)cc1 ZINC000675948998 600837535 /nfs/dbraw/zinc/83/75/35/600837535.db2.gz YSNJHROGGAOEAR-KSZLIROESA-N -1 0 345.439 3.544 20 0 EHADRM CCc1ccc(CC(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000139447472 600839672 /nfs/dbraw/zinc/83/96/72/600839672.db2.gz YJUNCHCJIFWDBP-SFHVURJKSA-N -1 0 325.408 3.514 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)c(F)c1 ZINC000479495836 600840166 /nfs/dbraw/zinc/84/01/66/600840166.db2.gz IGTBCNJLLGRVNJ-JQWIXIFHSA-N -1 0 335.281 3.544 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000740066610 600840599 /nfs/dbraw/zinc/84/05/99/600840599.db2.gz UUOBDKZCQQHDKJ-UWVGGRQHSA-N -1 0 335.281 3.544 20 0 EHADRM CC(C)(C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21)c1cccc(F)c1 ZINC000736225575 600847803 /nfs/dbraw/zinc/84/78/03/600847803.db2.gz YOJFVWIKMBPFPW-ZDUSSCGKSA-N -1 0 341.382 3.708 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)c1ccc(OC2CCC2)cc1 ZINC000831919004 600849632 /nfs/dbraw/zinc/84/96/32/600849632.db2.gz RDAQJBILMBCIKV-UHFFFAOYSA-N -1 0 342.347 3.544 20 0 EHADRM C[C@H](C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21)c1ccccc1F ZINC000736200431 600850347 /nfs/dbraw/zinc/85/03/47/600850347.db2.gz QTVYVRFKLMHXBM-QWHCGFSZSA-N -1 0 327.355 3.534 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000736622889 600851706 /nfs/dbraw/zinc/85/17/06/600851706.db2.gz WJTUSJIXNBBHLT-ZFWWWQNUSA-N -1 0 341.382 3.609 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCCC3)c2ccccc21 ZINC000739645313 600854761 /nfs/dbraw/zinc/85/47/61/600854761.db2.gz CFBHGPCWLQGOEC-GOSISDBHSA-N -1 0 349.430 3.713 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)[C@@H]2SCCc3sccc32)c1 ZINC000833287383 600863629 /nfs/dbraw/zinc/86/36/29/600863629.db2.gz CQRBKVWFKVCVRM-CYBMUJFWSA-N -1 0 334.422 3.807 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2ccoc2)C2CCCCC2)cc1 ZINC000237974783 600866664 /nfs/dbraw/zinc/86/66/64/600866664.db2.gz YYFOYDBKCWAEII-UHFFFAOYSA-N -1 0 327.380 3.953 20 0 EHADRM C/C(=C\C(=O)N1CCCC[C@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000766849482 600867741 /nfs/dbraw/zinc/86/77/41/600867741.db2.gz VGJMPHXJZBCQSA-MARXPDLDSA-N -1 0 341.329 3.574 20 0 EHADRM Cc1cc(COC(=O)CCc2c[nH]c3ccc(C)cc23)oc1C(=O)[O-] ZINC000832959790 600869575 /nfs/dbraw/zinc/86/95/75/600869575.db2.gz JQYQGQHZGKNGNI-UHFFFAOYSA-N -1 0 341.363 3.752 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)c1cccc2cc[nH]c21)C(=O)[O-] ZINC000345769793 600871664 /nfs/dbraw/zinc/87/16/64/600871664.db2.gz DERADCFLBHMKIS-CQSZACIVSA-N -1 0 336.391 3.531 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C[C@H](C)C(=O)c1cccc(F)c1 ZINC000832914321 600871695 /nfs/dbraw/zinc/87/16/95/600871695.db2.gz BSNPPCWQVBUVFW-LBPRGKRZSA-N -1 0 343.354 3.680 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccc(Cc3ccncc3)cc2)C1 ZINC000833185285 600871788 /nfs/dbraw/zinc/87/17/88/600871788.db2.gz GISQKHWQPJHMCR-IRXDYDNUSA-N -1 0 338.407 3.502 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H](C)c2ccc(C)o2)cc1 ZINC000832777499 600875779 /nfs/dbraw/zinc/87/57/79/600875779.db2.gz PIOGQCPYTMSORX-IUODEOHRSA-N -1 0 347.436 3.746 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)C[C@H]2CCCC[C@@H]2C)c1OC ZINC000538505454 600877433 /nfs/dbraw/zinc/87/74/33/600877433.db2.gz VZZSNAKZLVEPSL-NWDGAFQWSA-N -1 0 335.400 3.557 20 0 EHADRM CO[C@@](C)(C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1ccccc1 ZINC000262704850 600878236 /nfs/dbraw/zinc/87/82/36/600878236.db2.gz CZUZPCKOKSEFLU-HXUWFJFHSA-N -1 0 341.407 3.549 20 0 EHADRM Cc1cccc(C)c1OCC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000262240079 600879926 /nfs/dbraw/zinc/87/99/26/600879926.db2.gz OZNVRUUFZPARQF-UHFFFAOYSA-N -1 0 341.407 3.683 20 0 EHADRM COc1cccc([C@@H](C)C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000262267057 600880841 /nfs/dbraw/zinc/88/08/41/600880841.db2.gz ZRLSHYOYRQNJIM-CYBMUJFWSA-N -1 0 341.407 3.800 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)nn1C(C)(C)C ZINC000362783532 600882099 /nfs/dbraw/zinc/88/20/99/600882099.db2.gz WGHBRUUPVHYPHE-UHFFFAOYSA-N -1 0 343.427 3.561 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000236577050 600883433 /nfs/dbraw/zinc/88/34/33/600883433.db2.gz GELWXGGGVFPMOQ-UHFFFAOYSA-N -1 0 344.386 3.625 20 0 EHADRM CCCCN(Cc1ccccc1F)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000829389873 600885547 /nfs/dbraw/zinc/88/55/47/600885547.db2.gz WBXLOSBTMNDUKO-LSDHHAIUSA-N -1 0 335.419 3.845 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ncc(Cc3ccccc3)s2)C1 ZINC000833189984 600894592 /nfs/dbraw/zinc/89/45/92/600894592.db2.gz VMQKYHVKLCHFNQ-KBPBESRZSA-N -1 0 344.436 3.563 20 0 EHADRM Cc1sc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)nc1-c1ccccc1 ZINC000833034463 600897289 /nfs/dbraw/zinc/89/72/89/600897289.db2.gz VCFNEZWHRIOGRT-ZIAGYGMSSA-N -1 0 344.436 3.948 20 0 EHADRM Cc1sc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)nc1-c1ccccc1 ZINC000833034462 600897421 /nfs/dbraw/zinc/89/74/21/600897421.db2.gz VCFNEZWHRIOGRT-UONOGXRCSA-N -1 0 344.436 3.948 20 0 EHADRM COCc1c2ccccc2oc1C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000831807672 600901070 /nfs/dbraw/zinc/90/10/70/600901070.db2.gz UJJZLHZOGKXPAG-UHFFFAOYSA-N -1 0 331.349 3.591 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCSc2ccc(F)cc2)s1 ZINC000035425076 600901509 /nfs/dbraw/zinc/90/15/09/600901509.db2.gz LUXSDUNJBJWHFH-UHFFFAOYSA-N -1 0 325.386 3.706 20 0 EHADRM CC(C)(CNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000263549986 600904883 /nfs/dbraw/zinc/90/48/83/600904883.db2.gz VXIPDPIGGAEIJR-OLZOCXBDSA-N -1 0 337.847 3.625 20 0 EHADRM CC/C(=C/C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccc(C)cc1 ZINC000736834884 600906966 /nfs/dbraw/zinc/90/69/66/600906966.db2.gz KLFAXLWCBZVWHY-KSVUCXBSSA-N -1 0 327.424 3.502 20 0 EHADRM CC(C)C[C@@H](CNC(=O)[C@H](Sc1ccccc1)C(C)C)C(=O)[O-] ZINC000486306592 600919552 /nfs/dbraw/zinc/91/95/52/600919552.db2.gz YXLHSOUCIOUNHM-GOEBONIOSA-N -1 0 337.485 3.666 20 0 EHADRM Cc1c(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])oc2c1c(C)ccc2C ZINC000486289689 600920215 /nfs/dbraw/zinc/92/02/15/600920215.db2.gz FHZAWKVPKILXCS-CQSZACIVSA-N -1 0 331.412 3.835 20 0 EHADRM CCC(CC)(NC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000342531037 600922823 /nfs/dbraw/zinc/92/28/23/600922823.db2.gz SEFRAWZDWRDQBX-IRXDYDNUSA-N -1 0 325.408 3.703 20 0 EHADRM CCC(CC)(NC(=O)C[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000342521288 600924519 /nfs/dbraw/zinc/92/45/19/600924519.db2.gz HOGIIQZHEVIXOV-NSHDSACASA-N -1 0 345.361 3.959 20 0 EHADRM CCC(CC)(NC(=O)[C@H](C)Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000094239670 600927410 /nfs/dbraw/zinc/92/74/10/600927410.db2.gz IERGYNINCZEMMZ-JTQLQIEISA-N -1 0 329.849 3.580 20 0 EHADRM CC(C)C[C@@H](CNC(=O)[C@@H](C)Sc1ccccc1Cl)C(=O)[O-] ZINC000486286727 600927907 /nfs/dbraw/zinc/92/79/07/600927907.db2.gz VXORGRYUFKDNOK-NEPJUHHUSA-N -1 0 343.876 3.684 20 0 EHADRM CCC(CC)(NC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000342521312 600928081 /nfs/dbraw/zinc/92/80/81/600928081.db2.gz HPLPOYLBZWNCGW-NSHDSACASA-N -1 0 345.361 3.644 20 0 EHADRM C[C@@H]1CN(C(=O)Cn2cc(C(=O)[O-])c3ccccc32)[C@@H]1c1ccccc1 ZINC000828347778 600937032 /nfs/dbraw/zinc/93/70/32/600937032.db2.gz GCWLYJLMDZGUGL-VLIAUNLRSA-N -1 0 348.402 3.559 20 0 EHADRM O=C([O-])CCN(C(=O)CCCc1ccccc1)c1cccc(F)c1 ZINC000739711481 600938682 /nfs/dbraw/zinc/93/86/82/600938682.db2.gz LTLIURGQFNEIFW-UHFFFAOYSA-N -1 0 329.371 3.656 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cccc2cc[nH]c21)c1cccc(Cl)c1 ZINC000833348973 600948584 /nfs/dbraw/zinc/94/85/84/600948584.db2.gz AHACRXKKGZMDLH-HNNXBMFYSA-N -1 0 329.739 3.804 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)Oc1ccccc1CC(=O)[O-] ZINC000827427694 600959873 /nfs/dbraw/zinc/95/98/73/600959873.db2.gz LLCLWTSYWVQNMH-CYBMUJFWSA-N -1 0 330.355 3.627 20 0 EHADRM O=C([O-])C[C@H]1CN(Cc2coc(-c3cccs3)n2)c2ccccc21 ZINC000325220999 600961455 /nfs/dbraw/zinc/96/14/55/600961455.db2.gz QKQKWBQIPRASSG-LBPRGKRZSA-N -1 0 340.404 3.982 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)o1 ZINC000832929057 600962598 /nfs/dbraw/zinc/96/25/98/600962598.db2.gz JIKAISLSLTWYEF-YGRLFVJLSA-N -1 0 344.411 3.845 20 0 EHADRM Cc1ccc(CN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C2CC2)cc1C ZINC000180019354 600966691 /nfs/dbraw/zinc/96/66/91/600966691.db2.gz GTZOBCZCHBRBNR-SJORKVTESA-N -1 0 329.440 3.685 20 0 EHADRM Cc1cc2cc(C(=O)N3CCc4cc(C(=O)[O-])ccc43)oc2cc1C ZINC000766844947 600968174 /nfs/dbraw/zinc/96/81/74/600968174.db2.gz MACSHDMSXOFUSR-UHFFFAOYSA-N -1 0 335.359 3.951 20 0 EHADRM Cc1cccc(C)c1C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC000832964071 600968545 /nfs/dbraw/zinc/96/85/45/600968545.db2.gz AYQBDDISZVBUSD-UHFFFAOYSA-N -1 0 341.392 3.706 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000833299112 600971211 /nfs/dbraw/zinc/97/12/11/600971211.db2.gz LVSOGBPTLZRPCQ-UZLBHIALSA-N -1 0 339.366 3.757 20 0 EHADRM CCC(CC)(NC(=O)[C@H](C)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000828820170 600976768 /nfs/dbraw/zinc/97/67/68/600976768.db2.gz CXMLFGDLRUHMPY-SECBINFHSA-N -1 0 332.227 3.857 20 0 EHADRM CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CC[C@H]1c1ccccc1 ZINC000180134152 600980999 /nfs/dbraw/zinc/98/09/99/600980999.db2.gz UVHKNRIJFVVVKT-OQIJWPOYSA-N -1 0 343.467 3.920 20 0 EHADRM CC[C@@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)[O-])CC[C@H]1c1ccccc1 ZINC000829134040 600981626 /nfs/dbraw/zinc/98/16/26/600981626.db2.gz KIXMKVGHIAMMPD-NXHRZFHOSA-N -1 0 346.471 3.711 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000175061279 600982023 /nfs/dbraw/zinc/98/20/23/600982023.db2.gz HKKHBYDPKOVSAQ-QWRGUYRKSA-N -1 0 329.318 3.843 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCc1ncc(-c2ccccc2C)o1 ZINC000737861215 600983121 /nfs/dbraw/zinc/98/31/21/600983121.db2.gz BBYWTOVQLGBUBZ-UHFFFAOYSA-N -1 0 339.347 3.936 20 0 EHADRM CC1(COc2c(Cl)cc(Cl)c(Cl)c2C(=O)[O-])COC1 ZINC000736738881 600984083 /nfs/dbraw/zinc/98/40/83/600984083.db2.gz SULIBOPRUZTJNJ-UHFFFAOYSA-N -1 0 325.575 3.760 20 0 EHADRM O=C([O-])Nc1cccc(NCc2nc(CCc3ccccc3)no2)c1 ZINC000833288743 600995087 /nfs/dbraw/zinc/99/50/87/600995087.db2.gz GMRIZBMMDCJGCQ-UHFFFAOYSA-N -1 0 338.367 3.557 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)Oc3ccc(CC(=O)[O-])cc3)c2c1 ZINC000832960258 600995925 /nfs/dbraw/zinc/99/59/25/600995925.db2.gz OFEMEHFTAVRYMY-UHFFFAOYSA-N -1 0 337.375 3.642 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NC[C@@H](C)Sc1ccccc1 ZINC000832915689 600997013 /nfs/dbraw/zinc/99/70/13/600997013.db2.gz MWDYYJVZNHJDNE-CYBMUJFWSA-N -1 0 344.436 3.996 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)c1cnc2ccsc2c1 ZINC000740243504 601000473 /nfs/dbraw/zinc/00/04/73/601000473.db2.gz YLXABFQVLADSMQ-UHFFFAOYSA-N -1 0 338.388 3.588 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000238035407 601000512 /nfs/dbraw/zinc/00/05/12/601000512.db2.gz PXVDGCDDAGBXHW-RDBSUJKOSA-N -1 0 342.222 3.563 20 0 EHADRM COc1ccc2sc(C(=O)OCc3ccc(C(=O)[O-])o3)c(C)c2c1 ZINC000738078324 601002570 /nfs/dbraw/zinc/00/25/70/601002570.db2.gz CZVIVNSHQBVGRN-UHFFFAOYSA-N -1 0 346.360 3.867 20 0 EHADRM COCc1cccc(NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000327228489 601003571 /nfs/dbraw/zinc/00/35/71/601003571.db2.gz WTMJFNMMFDRENQ-UHFFFAOYSA-N -1 0 342.395 3.839 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@@H]2CCSc3ccccc32)cc1 ZINC000739756336 601010051 /nfs/dbraw/zinc/01/00/51/601010051.db2.gz QZIPQEKXBIEUAO-MRXNPFEDSA-N -1 0 341.432 3.922 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c(F)cc1F ZINC000833150293 601013168 /nfs/dbraw/zinc/01/31/68/601013168.db2.gz FZZVAWAPBKOHMU-GMTAPVOTSA-N -1 0 338.354 3.753 20 0 EHADRM CCN(C(=O)c1ccc(Cl)nc1Cl)c1ccccc1C(=O)[O-] ZINC000737059592 601013850 /nfs/dbraw/zinc/01/38/50/601013850.db2.gz QWWKIKCVCFSKNG-UHFFFAOYSA-N -1 0 339.178 3.753 20 0 EHADRM CCN(C(=O)c1cnc2ccsc2c1)c1ccccc1C(=O)[O-] ZINC000737061728 601014092 /nfs/dbraw/zinc/01/40/92/601014092.db2.gz GZFQYOCYYJZGNW-UHFFFAOYSA-N -1 0 326.377 3.661 20 0 EHADRM Cc1cccc(N(CC(=O)[O-])C(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)n1 ZINC000738720429 601014250 /nfs/dbraw/zinc/01/42/50/601014250.db2.gz PHSAROKMPJCGBQ-ZFWWWQNUSA-N -1 0 332.444 3.660 20 0 EHADRM Cc1ccc(CCCCC(=O)N(CC(=O)[O-])c2cccc(C)n2)cc1 ZINC000738589349 601014347 /nfs/dbraw/zinc/01/43/47/601014347.db2.gz NTZDPWLTPGVXRV-UHFFFAOYSA-N -1 0 340.423 3.529 20 0 EHADRM CCc1cccc2c(CC(=O)Oc3ccccc3CC(=O)[O-])c[nH]c21 ZINC000737272677 601022828 /nfs/dbraw/zinc/02/28/28/601022828.db2.gz QYEPSBBPBHXFBI-UHFFFAOYSA-N -1 0 337.375 3.506 20 0 EHADRM Cc1ccc(C(=O)N(CCC(=O)[O-])c2cccc(F)c2)cc1Cl ZINC000738504500 601026559 /nfs/dbraw/zinc/02/65/59/601026559.db2.gz OSHQFSCKCNINMD-UHFFFAOYSA-N -1 0 335.762 3.909 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)N2CCC(C3CCCC3)CC2)cc1 ZINC000833266209 601031995 /nfs/dbraw/zinc/03/19/95/601031995.db2.gz JYIXJMHRXXUZOQ-UHFFFAOYSA-N -1 0 330.428 3.748 20 0 EHADRM Cc1ccc(CC[C@H](C)NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)o1 ZINC000832929633 601038051 /nfs/dbraw/zinc/03/80/51/601038051.db2.gz BFUWREJUJJBAEN-JTQLQIEISA-N -1 0 349.362 3.960 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N[C@H]2C[C@H]2Cc2ccccc2)ccc1F ZINC000833283781 601038609 /nfs/dbraw/zinc/03/86/09/601038609.db2.gz WBTXLAKWJXETTC-DOMZBBRYSA-N -1 0 343.358 3.668 20 0 EHADRM CCc1[nH]c(C(=O)N2CCCCCc3ccccc32)c(C)c1C(=O)[O-] ZINC000737243505 601042645 /nfs/dbraw/zinc/04/26/45/601042645.db2.gz YBNGNKOHPITUPS-UHFFFAOYSA-N -1 0 340.423 3.957 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCC(C3CCCC3)CC2)c(F)c1 ZINC000833319273 601045389 /nfs/dbraw/zinc/04/53/89/601045389.db2.gz IZJUOEPWQRLQRF-UHFFFAOYSA-N -1 0 334.391 3.958 20 0 EHADRM CCC[C@]1(C)CCCN(C(=O)Nc2ccc(CNC(=O)[O-])cc2)C1 ZINC000829238257 601053075 /nfs/dbraw/zinc/05/30/75/601053075.db2.gz PEJNIGAAFASTOB-GOSISDBHSA-N -1 0 333.432 3.888 20 0 EHADRM CC(C)c1cc(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])n(C)n1 ZINC000236692868 601056846 /nfs/dbraw/zinc/05/68/46/601056846.db2.gz BVONHPAUDURTNN-UHFFFAOYSA-N -1 0 337.379 3.647 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000236964507 601057052 /nfs/dbraw/zinc/05/70/52/601057052.db2.gz FVHXNVMTIWIGLT-IYMWITQMSA-N -1 0 344.238 3.712 20 0 EHADRM C[C@H](C(=O)NCc1ccc(C(=O)[O-])o1)c1ccc(Cl)c(Cl)c1 ZINC000517047930 601058684 /nfs/dbraw/zinc/05/86/84/601058684.db2.gz DTJXDKSBTRZMPM-QMMMGPOBSA-N -1 0 342.178 3.705 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1F ZINC000833350718 601064546 /nfs/dbraw/zinc/06/45/46/601064546.db2.gz GOQNQYKKTNCZDW-CYBMUJFWSA-N -1 0 342.244 3.827 20 0 EHADRM CC[C@H](CC(=O)NC[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000262499062 601072520 /nfs/dbraw/zinc/07/25/20/601072520.db2.gz NGPJRFMLLZUFQX-CRAIPNDOSA-N -1 0 325.408 3.555 20 0 EHADRM CC(C)(C(=O)NC[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1Cl ZINC000262141486 601072576 /nfs/dbraw/zinc/07/25/76/601072576.db2.gz KZDWINQTONRKDD-CQSZACIVSA-N -1 0 345.826 3.602 20 0 EHADRM Cc1ccc(CCC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cc1Cl ZINC000324851215 601075996 /nfs/dbraw/zinc/07/59/96/601075996.db2.gz FBXLFLAPKYXMSI-MRXNPFEDSA-N -1 0 345.826 3.566 20 0 EHADRM Cc1cc(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])ccc1OC(C)C ZINC000832895297 601077215 /nfs/dbraw/zinc/07/72/15/601077215.db2.gz PZEVBIFZWZOLLB-AWEZNQCLSA-N -1 0 336.432 3.651 20 0 EHADRM CCc1ccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])s1 ZINC000830232206 601089337 /nfs/dbraw/zinc/08/93/37/601089337.db2.gz HYQXBRMFUVWJIC-ZFWWWQNUSA-N -1 0 335.469 3.806 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)c1csc(C2CC2)n1 ZINC000833181015 601094696 /nfs/dbraw/zinc/09/46/96/601094696.db2.gz YLMKMHFCCBYQHL-ZFWWWQNUSA-N -1 0 348.468 3.516 20 0 EHADRM Cc1ccc(OCCC(=O)O[C@@H](C(=O)[O-])c2ccccc2F)c(C)c1 ZINC000832951940 601099534 /nfs/dbraw/zinc/09/95/34/601099534.db2.gz YOOFGEJVSAQWHF-GOSISDBHSA-N -1 0 346.354 3.581 20 0 EHADRM Cc1csc([C@H]2CCCN(C(=O)Nc3ccc(C(=O)[O-])cc3)C2)n1 ZINC000738815958 601100348 /nfs/dbraw/zinc/10/03/48/601100348.db2.gz GHZHZOZJRZUHII-ZDUSSCGKSA-N -1 0 345.424 3.561 20 0 EHADRM CCCc1nc(C)c(C(=O)O[C@H](C(=O)[O-])c2ccccc2F)s1 ZINC000829571788 601106178 /nfs/dbraw/zinc/10/61/78/601106178.db2.gz WVVOZUIAQMQQJX-ZDUSSCGKSA-N -1 0 337.372 3.526 20 0 EHADRM Cc1cc(C(=O)CCC(=O)Nc2ccc(C)c(C(=O)[O-])c2)c(C)s1 ZINC000192891757 601109801 /nfs/dbraw/zinc/10/98/01/601109801.db2.gz LWXGPXMJXUGJOW-UHFFFAOYSA-N -1 0 345.420 3.973 20 0 EHADRM CCN(C(=O)CCCc1ccc(C)cc1)c1ncc(C(=O)[O-])s1 ZINC000737052430 601111806 /nfs/dbraw/zinc/11/18/06/601111806.db2.gz JPOHSCCKSSZJEZ-UHFFFAOYSA-N -1 0 332.425 3.526 20 0 EHADRM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000183962814 601125815 /nfs/dbraw/zinc/12/58/15/601125815.db2.gz QHTMNVYZVBSCRV-OLZOCXBDSA-N -1 0 343.345 3.555 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1cccc2ccccc21 ZINC000183965127 601125976 /nfs/dbraw/zinc/12/59/76/601125976.db2.gz KAJAAEKIHQYPJN-BPUTZDHNSA-N -1 0 325.408 3.908 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C(C)(C)C1 ZINC000828370886 601127608 /nfs/dbraw/zinc/12/76/08/601127608.db2.gz UZIIJBFXWXAXMG-ZDUSSCGKSA-N -1 0 345.443 3.637 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)NC1(CC(=O)[O-])CCC1 ZINC000321530435 601132863 /nfs/dbraw/zinc/13/28/63/601132863.db2.gz MRUCRRJGAOTCRW-UHFFFAOYSA-N -1 0 330.306 3.533 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)c(C(=O)[O-])c1 ZINC000184941023 601136908 /nfs/dbraw/zinc/13/69/08/601136908.db2.gz LSMHKMLEYGKYJS-UHFFFAOYSA-N -1 0 348.358 3.505 20 0 EHADRM COc1ccc(CN(C)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1C ZINC000832311111 601137008 /nfs/dbraw/zinc/13/70/08/601137008.db2.gz PXNOISAGHUQHBU-UHFFFAOYSA-N -1 0 342.395 3.674 20 0 EHADRM Cc1cc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])c(F)cc1F ZINC000832860336 601137509 /nfs/dbraw/zinc/13/75/09/601137509.db2.gz NUFMWVCVAMGIOF-ZDUSSCGKSA-N -1 0 347.361 3.636 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC000827582078 601143504 /nfs/dbraw/zinc/14/35/04/601143504.db2.gz XCHUNVZXARSCEB-CYBMUJFWSA-N -1 0 347.411 3.672 20 0 EHADRM Cc1ccc(CCCC(=O)N[C@H](CC(=O)[O-])c2cccs2)s1 ZINC000237697307 601148588 /nfs/dbraw/zinc/14/85/88/601148588.db2.gz QNMSRDDFKORWQJ-CYBMUJFWSA-N -1 0 337.466 3.773 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1cccc(C(F)(F)F)c1F ZINC000317016552 601151017 /nfs/dbraw/zinc/15/10/17/601151017.db2.gz OZHIKPUNOIOSJP-UHFFFAOYSA-N -1 0 333.262 3.857 20 0 EHADRM Cc1cc(NC(=O)c2cc(Cl)ccc2OC(F)F)c(C(=O)[O-])[nH]1 ZINC000832896070 601152114 /nfs/dbraw/zinc/15/21/14/601152114.db2.gz GMJMTYGMZUSTAX-UHFFFAOYSA-N -1 0 344.701 3.528 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3ccccc3)ns2)C1 ZINC000833187584 601157961 /nfs/dbraw/zinc/15/79/61/601157961.db2.gz SBXYTLTVIGYLRJ-QWHCGFSZSA-N -1 0 330.409 3.640 20 0 EHADRM CN(C(=O)c1ccc(OC(C)(C)C)cc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000776620458 601158516 /nfs/dbraw/zinc/15/85/16/601158516.db2.gz MQSXCEUXBZTLMH-QGZVFWFLSA-N -1 0 341.407 3.762 20 0 EHADRM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000828311113 601160923 /nfs/dbraw/zinc/16/09/23/601160923.db2.gz ULBYKQXXNRASIO-GTNSWQLSSA-N -1 0 342.370 3.969 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2CCSC3(CCCCC3)C2)c1 ZINC000833288464 601168277 /nfs/dbraw/zinc/16/82/77/601168277.db2.gz ADOFJAKFQWQHQI-UHFFFAOYSA-N -1 0 334.441 3.668 20 0 EHADRM CC(C)[C@H](OC(=O)c1ccc(Oc2ccccc2Cl)nc1)C(=O)[O-] ZINC000826723157 601189512 /nfs/dbraw/zinc/18/95/12/601189512.db2.gz PUMJVPQDQFNBMF-HNNXBMFYSA-N -1 0 349.770 3.793 20 0 EHADRM O=C([O-])c1occc1COC(=O)c1ccc(Oc2ccccc2)o1 ZINC000833353509 601189548 /nfs/dbraw/zinc/18/95/48/601189548.db2.gz MYTIFRKFIHEHPB-UHFFFAOYSA-N -1 0 328.276 3.720 20 0 EHADRM Cc1cccc(C)c1OCCCNc1ccc(CNC(=O)[O-])cc1 ZINC000832966098 601210144 /nfs/dbraw/zinc/21/01/44/601210144.db2.gz RBHZIKNBXLZHSP-UHFFFAOYSA-N -1 0 328.412 3.952 20 0 EHADRM CO[C@@H](C)c1nc(CNc2ccc(CN(C)C(=O)[O-])cc2)cs1 ZINC000831501826 601223271 /nfs/dbraw/zinc/22/32/71/601223271.db2.gz XENXNYQFYPMOPN-NSHDSACASA-N -1 0 335.429 3.572 20 0 EHADRM O=C([O-])c1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccn1 ZINC000237986144 601241546 /nfs/dbraw/zinc/24/15/46/601241546.db2.gz OCGVFVRKOCGCJP-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)CC(C)(C)c1ccccc1)c1ccccc1 ZINC000237734615 601244246 /nfs/dbraw/zinc/24/42/46/601244246.db2.gz UDRYFNCQLRHYRT-BEFAXECRSA-N -1 0 339.435 3.933 20 0 EHADRM Cc1nc2ccccc2nc1CNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000833006670 601246868 /nfs/dbraw/zinc/24/68/68/601246868.db2.gz RELYNTLLNXRPRE-UHFFFAOYSA-N -1 0 327.771 3.902 20 0 EHADRM O=C([O-])c1sc(N2CCC[C@@H]2c2ccc(F)cc2)nc1Cl ZINC000833346506 601248339 /nfs/dbraw/zinc/24/83/39/601248339.db2.gz NYJSBNOIWUUWIS-SNVBAGLBSA-N -1 0 326.780 3.975 20 0 EHADRM CN(C(=O)[C@@H]1C[C@H]1C1CC1)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000830457203 601261872 /nfs/dbraw/zinc/26/18/72/601261872.db2.gz JHYIELZMCYNHRX-MISXGVKJSA-N -1 0 342.222 3.624 20 0 EHADRM CC(C)c1ccccc1N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000827139284 601263257 /nfs/dbraw/zinc/26/32/57/601263257.db2.gz JOOQKQCZXGALOZ-HNNXBMFYSA-N -1 0 344.436 3.787 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C/C=C/c1ccc(F)cc1)c1ccccc1 ZINC000238201512 601273399 /nfs/dbraw/zinc/27/33/99/601273399.db2.gz RDIKIHFZVNBJGK-BDUNBXCCSA-N -1 0 327.355 3.561 20 0 EHADRM COc1cc(Cl)c(Cl)cc1C(=O)N(CCC(=O)[O-])CC(C)C ZINC000832004523 601277534 /nfs/dbraw/zinc/27/75/34/601277534.db2.gz RDCIMLBOLCEXRA-UHFFFAOYSA-N -1 0 348.226 3.575 20 0 EHADRM O=C([O-])c1cc(C(=O)Nc2cccc(COc3ccccc3)c2)ccn1 ZINC000833159318 601279975 /nfs/dbraw/zinc/27/99/75/601279975.db2.gz UXLUNZHZZLHDBA-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)C/C=C\c1cccc(F)c1 ZINC000833333789 601280183 /nfs/dbraw/zinc/28/01/83/601280183.db2.gz GWKKFPVFQBSYPI-KXFIGUGUSA-N -1 0 339.366 3.907 20 0 EHADRM CC(C)=C(C)C(=O)N(Cc1ccoc1C(=O)[O-])[C@@H](C)c1ccccn1 ZINC000826642375 601282466 /nfs/dbraw/zinc/28/24/66/601282466.db2.gz XDLPKPGXBGQLEJ-AWEZNQCLSA-N -1 0 342.395 3.819 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)C/C=C/c2ccc(F)cc2)c1 ZINC000832178283 601284710 /nfs/dbraw/zinc/28/47/10/601284710.db2.gz DWMYUFPXKYDVIM-NSCUHMNNSA-N -1 0 329.327 3.575 20 0 EHADRM CSc1ccc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1Cl ZINC000180120627 601292972 /nfs/dbraw/zinc/29/29/72/601292972.db2.gz BRRWWMHGPWVPOF-VHSXEESVSA-N -1 0 327.833 3.891 20 0 EHADRM Cc1ccc2nc(C3CC3)cc(C(=O)Nc3cc(C(=O)[O-])n(C)c3)c2c1 ZINC000832960137 601314699 /nfs/dbraw/zinc/31/46/99/601314699.db2.gz MQGDEYQKIIGHIK-UHFFFAOYSA-N -1 0 349.390 3.710 20 0 EHADRM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000832856864 601316317 /nfs/dbraw/zinc/31/63/17/601316317.db2.gz WITNBVAOFQZTOK-CYBMUJFWSA-N -1 0 343.427 3.740 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)c1 ZINC000833327472 601335906 /nfs/dbraw/zinc/33/59/06/601335906.db2.gz MXELDDOEQCUQRO-KRWDZBQOSA-N -1 0 327.355 3.891 20 0 EHADRM CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc(NC(=O)[O-])cc2)C1(CC)CC ZINC000829924747 601337108 /nfs/dbraw/zinc/33/71/08/601337108.db2.gz KJWZXVNLNXLHKY-HUUCEWRRSA-N -1 0 349.431 3.882 20 0 EHADRM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=S)NCCCC(=O)[O-] ZINC000827935659 601339596 /nfs/dbraw/zinc/33/95/96/601339596.db2.gz UNMVSQHDEUJJES-VXGBXAGGSA-N -1 0 342.892 3.503 20 0 EHADRM CO[C@@H](C)c1nc(COc2ccc(Cl)cc2C(=O)[O-])cs1 ZINC000831499206 601351047 /nfs/dbraw/zinc/35/10/47/601351047.db2.gz DIVWOWJDCSKWMW-QMMMGPOBSA-N -1 0 327.789 3.781 20 0 EHADRM O=C([O-])c1cccc(-c2nc(COC(=O)[C@@H]3C[C@@H]3C3CC3)cs2)c1 ZINC000833327025 601358553 /nfs/dbraw/zinc/35/85/53/601358553.db2.gz ZSNPEXPDTJSSAX-HUUCEWRRSA-N -1 0 343.404 3.598 20 0 EHADRM C[C@]1(CCc2ccccc2)CCN(C(=O)NCCCCCC(=O)[O-])C1 ZINC000414625588 601359447 /nfs/dbraw/zinc/35/94/47/601359447.db2.gz KMNBMDXIAMULKS-FQEVSTJZSA-N -1 0 346.471 3.686 20 0 EHADRM C[C@H](c1nc(COc2cccc(C(=O)[O-])c2)no1)c1ccccc1F ZINC000827965703 601364278 /nfs/dbraw/zinc/36/42/78/601364278.db2.gz HEACSELTSGDUIG-NSHDSACASA-N -1 0 342.326 3.638 20 0 EHADRM C[C@H](c1ccsc1)c1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC000827957739 601366120 /nfs/dbraw/zinc/36/61/20/601366120.db2.gz PDMKOJRGHXWPSQ-SNVBAGLBSA-N -1 0 330.365 3.560 20 0 EHADRM O=C([O-])[C@]1(F)CCN(C(=S)Nc2ccccc2-c2ccccc2)C1 ZINC000833176052 601366862 /nfs/dbraw/zinc/36/68/62/601366862.db2.gz WCXDHYVSOIPPHP-SFHVURJKSA-N -1 0 344.411 3.549 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=S)Nc1ccc(OC(C)C)cc1 ZINC000828797008 601378165 /nfs/dbraw/zinc/37/81/65/601378165.db2.gz UGIHOLCMJGNJAV-UHFFFAOYSA-N -1 0 338.473 3.794 20 0 EHADRM O=C([O-])C1(CNc2nc(C(F)(F)F)nc3ccccc32)CCCC1 ZINC000833174868 601379307 /nfs/dbraw/zinc/37/93/07/601379307.db2.gz XQMKDUHCTFHSCL-UHFFFAOYSA-N -1 0 339.317 3.706 20 0 EHADRM Cc1[nH]c(=O)c(C(=O)Nc2cccc(C(=O)[O-])c2)cc1-c1ccccc1 ZINC000532001760 601387726 /nfs/dbraw/zinc/38/77/26/601387726.db2.gz BCNHYORVUFBIQH-UHFFFAOYSA-N -1 0 348.358 3.713 20 0 EHADRM CCOc1cc2c(cc1NCc1cc(C(=O)[O-])oc1C)O[C@@H](C)C2 ZINC000830054185 601390948 /nfs/dbraw/zinc/39/09/48/601390948.db2.gz ROYALGYZYNNISV-JTQLQIEISA-N -1 0 331.368 3.620 20 0 EHADRM C[C@@H](C(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccc(Cl)s1 ZINC000190489156 601392653 /nfs/dbraw/zinc/39/26/53/601392653.db2.gz YXNKRJFVBNYXKW-SNVBAGLBSA-N -1 0 337.828 3.562 20 0 EHADRM COc1ccc([C@H](C)Cc2nc(-c3ccc(C(=O)[O-])cc3)no2)cc1 ZINC000832220966 601395036 /nfs/dbraw/zinc/39/50/36/601395036.db2.gz NZKSADGLASOKLF-GFCCVEGCSA-N -1 0 338.363 3.790 20 0 EHADRM COc1ccc([C@H](C)Cc2nc(-c3cccc(C(=O)[O-])c3)no2)cc1 ZINC000832220856 601395143 /nfs/dbraw/zinc/39/51/43/601395143.db2.gz JQEWBSHQVZGMPO-GFCCVEGCSA-N -1 0 338.363 3.790 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)cc1 ZINC000832220772 601396960 /nfs/dbraw/zinc/39/69/60/601396960.db2.gz GFQPGDOURZSAJM-CYBMUJFWSA-N -1 0 342.395 3.942 20 0 EHADRM C/C(=C/C(=O)N[C@H](C(=O)[O-])c1cccs1)c1cccc(Cl)c1 ZINC000825716765 601397426 /nfs/dbraw/zinc/39/74/26/601397426.db2.gz OCQDYLYPTOEIDJ-WWRUEGTHSA-N -1 0 335.812 3.747 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2cc(Cl)ccc2Cl)CCCC1 ZINC000135349165 601406450 /nfs/dbraw/zinc/40/64/50/601406450.db2.gz LFEQUQXQJNMOFH-UHFFFAOYSA-N -1 0 331.199 3.760 20 0 EHADRM Cc1cc(COc2nc(-c3ccccc3Cl)no2)oc1C(=O)[O-] ZINC000832885009 601407969 /nfs/dbraw/zinc/40/79/69/601407969.db2.gz HLVNMZALUUDSHR-UHFFFAOYSA-N -1 0 334.715 3.569 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Nc1cccc(F)c1)c1ccc(Cl)cc1 ZINC000833264980 601408778 /nfs/dbraw/zinc/40/87/78/601408778.db2.gz OAQRGVMHBSJELF-AWEZNQCLSA-N -1 0 336.750 3.817 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN(C)Cc1nc2c(s1)CCCC2 ZINC000830362951 601423776 /nfs/dbraw/zinc/42/37/76/601423776.db2.gz KYAABSNOTGLVPJ-UHFFFAOYSA-N -1 0 334.441 3.508 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CCC1 ZINC000262409520 601436350 /nfs/dbraw/zinc/43/63/50/601436350.db2.gz BEIGXTXOVGRRLX-WDEREUQCSA-N -1 0 342.222 3.611 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2O)cc1 ZINC000828765074 601453431 /nfs/dbraw/zinc/45/34/31/601453431.db2.gz VCIRNBZIMHLFLE-NSHDSACASA-N -1 0 329.352 3.520 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000237014630 601467401 /nfs/dbraw/zinc/46/74/01/601467401.db2.gz VCYLAJKSQMQKFD-ZBEGNZNMSA-N -1 0 345.361 3.644 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(C2SCCS2)cc1 ZINC000767052550 601468398 /nfs/dbraw/zinc/46/83/98/601468398.db2.gz YDBDGVGWYMALQD-INIZCTEOSA-N -1 0 339.482 3.538 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC000832220791 601474501 /nfs/dbraw/zinc/47/45/01/601474501.db2.gz HDFQUIWKBSPLLF-NWDGAFQWSA-N -1 0 332.352 3.784 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)Cc1cccc2ccccc21 ZINC000362683706 601479134 /nfs/dbraw/zinc/47/91/34/601479134.db2.gz MDJUAEYWYCPTSA-NRFANRHFSA-N -1 0 345.398 3.593 20 0 EHADRM CCSc1cccc(NC(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC000656602512 601486979 /nfs/dbraw/zinc/48/69/79/601486979.db2.gz QKEJEYQNTQPDHD-UHFFFAOYSA-N -1 0 336.457 3.907 20 0 EHADRM CCC1CCC(NCc2coc(-c3ccccc3)n2)(C(=O)[O-])CC1 ZINC000829107097 601495382 /nfs/dbraw/zinc/49/53/82/601495382.db2.gz GJCXILDKLJKCII-UHFFFAOYSA-N -1 0 328.412 3.855 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCCSc1ccc(Cl)cc1)C1CC1 ZINC000317466466 601518713 /nfs/dbraw/zinc/51/87/13/601518713.db2.gz YUCFMHRJKDTXIZ-AWEZNQCLSA-N -1 0 341.860 3.582 20 0 EHADRM CSc1cccc(NC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)c1 ZINC000347394613 601525304 /nfs/dbraw/zinc/52/53/04/601525304.db2.gz XSYPHDANYZHORI-UHFFFAOYSA-N -1 0 345.420 3.741 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000832914664 601527844 /nfs/dbraw/zinc/52/78/44/601527844.db2.gz ASBXNYTYWJPOHZ-CYBMUJFWSA-N -1 0 344.333 3.936 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N(CCC(F)(F)F)CC1CC1 ZINC000832916632 601528292 /nfs/dbraw/zinc/52/82/92/601528292.db2.gz OACWDYGAVBSFJT-UHFFFAOYSA-N -1 0 344.333 3.890 20 0 EHADRM Cc1ccc(SC2(C(=O)N[C@H](CC(=O)[O-])C3CC3)CCCC2)cc1 ZINC000832958072 601528744 /nfs/dbraw/zinc/52/87/44/601528744.db2.gz UQBZCDZPIYZBCC-MRXNPFEDSA-N -1 0 347.480 3.769 20 0 EHADRM CCCCN(C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1)[C@H](C)CC ZINC000829373292 601533289 /nfs/dbraw/zinc/53/32/89/601533289.db2.gz PMWCISBZMZHCJG-OAHLLOKOSA-N -1 0 335.444 3.808 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000826647195 601540145 /nfs/dbraw/zinc/54/01/45/601540145.db2.gz AENAGEJVXJFVIN-OAHLLOKOSA-N -1 0 333.453 3.728 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)/C=C/SCc2ccco2)c2ccccc21 ZINC000833215546 601572659 /nfs/dbraw/zinc/57/26/59/601572659.db2.gz NMJABEZXYHPYEV-BUUCAEBMSA-N -1 0 343.404 3.632 20 0 EHADRM O=C([O-])[C@H](NC(=O)C1(Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000833168275 601582971 /nfs/dbraw/zinc/58/29/71/601582971.db2.gz WLXLHNKECSLVEJ-MRXNPFEDSA-N -1 0 343.810 3.605 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2cc(F)ccc2o1)c1ccc(Cl)cc1 ZINC000538466051 601585923 /nfs/dbraw/zinc/58/59/23/601585923.db2.gz BBESBDWZOZFUTL-HNNXBMFYSA-N -1 0 347.729 3.781 20 0 EHADRM CCCCS[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000263171966 601586440 /nfs/dbraw/zinc/58/64/40/601586440.db2.gz RUBHMIKJFWAAJN-ZWNOBZJWSA-N -1 0 329.849 3.504 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(C(=O)N[C@@H](C(=O)[O-])C2CC2)cc1F ZINC000262202516 601593903 /nfs/dbraw/zinc/59/39/03/601593903.db2.gz WJZPBXWEJIDMBP-QGZVFWFLSA-N -1 0 345.345 3.533 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N(Cc2cccs2)CC(F)(F)F)C1 ZINC000833184911 601598145 /nfs/dbraw/zinc/59/81/45/601598145.db2.gz IJWVXILAHVNSBF-WDEREUQCSA-N -1 0 349.374 3.530 20 0 EHADRM O=C([O-])C1(CNC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)CCCC1 ZINC000678983471 601602282 /nfs/dbraw/zinc/60/22/82/601602282.db2.gz SDAHANMQDFUQST-MSOLQXFVSA-N -1 0 337.419 3.705 20 0 EHADRM Cc1ccccc1Cc1nc(CNc2ccc(C(=O)[O-])c(C)c2)no1 ZINC000832978061 601607542 /nfs/dbraw/zinc/60/75/42/601607542.db2.gz HEKXGNJKHOCNRQ-UHFFFAOYSA-N -1 0 337.379 3.588 20 0 EHADRM Cc1cc(Br)ccc1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000053200317 601612676 /nfs/dbraw/zinc/61/26/76/601612676.db2.gz NGKPBKXEQMLVCJ-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1ccc(SC(F)F)cc1 ZINC000238093340 601614526 /nfs/dbraw/zinc/61/45/26/601614526.db2.gz GJXWQFIRYYZALD-UHFFFAOYSA-N -1 0 337.347 3.881 20 0 EHADRM CSc1ccccc1NC(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832790233 601615333 /nfs/dbraw/zinc/61/53/33/601615333.db2.gz KUADMPDISKOJRO-BLLLJJGKSA-N -1 0 344.436 3.992 20 0 EHADRM C[C@H](c1ccco1)N(C(=O)Nc1cc(C(=O)[O-])ccc1F)C1CC1 ZINC000827958260 601618367 /nfs/dbraw/zinc/61/83/67/601618367.db2.gz RULPMEFABKZRDL-SNVBAGLBSA-N -1 0 332.331 3.874 20 0 EHADRM CN(Cc1ccc(Br)o1)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000830810625 601618557 /nfs/dbraw/zinc/61/85/57/601618557.db2.gz CGQXALBYGJDCMS-UHFFFAOYSA-N -1 0 342.164 3.511 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCc1ccccc1F)c1ccc(Cl)cc1 ZINC000013175922 601618813 /nfs/dbraw/zinc/61/88/13/601618813.db2.gz GSSOKRKEHQIPAO-INIZCTEOSA-N -1 0 349.789 3.744 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)c1cccnc1 ZINC000827235196 601619115 /nfs/dbraw/zinc/61/91/15/601619115.db2.gz OIDOSABKYCKWNX-LRDDRELGSA-N -1 0 346.814 3.561 20 0 EHADRM O=C([O-])c1ccc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)cc1F ZINC000570584193 601619788 /nfs/dbraw/zinc/61/97/88/601619788.db2.gz WYNCXJPJNXZXET-KRWDZBQOSA-N -1 0 349.789 3.751 20 0 EHADRM O=C([O-])CN(Cc1nc2cc(F)ccc2o1)Cc1ccc(Cl)cc1 ZINC000833249110 601621606 /nfs/dbraw/zinc/62/16/06/601621606.db2.gz BZYRMCSLSBORST-UHFFFAOYSA-N -1 0 348.761 3.707 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)N[C@@H](CC(=O)[O-])C3CC3)cc2s1 ZINC000827152443 601621704 /nfs/dbraw/zinc/62/17/04/601621704.db2.gz HBICSXYZOZCIPR-ZDUSSCGKSA-N -1 0 347.440 3.795 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1c(F)cccc1Cl ZINC000827622148 601622572 /nfs/dbraw/zinc/62/25/72/601622572.db2.gz HJRSNXRLCZIGCN-HBNTYKKESA-N -1 0 327.783 3.547 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1NC(=O)NC[C@@H](C)C(=O)[O-] ZINC000832900621 601624474 /nfs/dbraw/zinc/62/44/74/601624474.db2.gz HTTAKLYKAHROPS-CYBMUJFWSA-N -1 0 328.368 3.630 20 0 EHADRM C[C@H](CNC(=O)Nc1cccc(Sc2ccccc2)c1)C(=O)[O-] ZINC000827493350 601624535 /nfs/dbraw/zinc/62/45/35/601624535.db2.gz QRDOUDZJAIMVMZ-GFCCVEGCSA-N -1 0 330.409 3.680 20 0 EHADRM O=C([O-])[C@H]1CCCCN1C(=O)CC(c1ccccc1)c1ccccc1 ZINC000238039817 601626980 /nfs/dbraw/zinc/62/69/80/601626980.db2.gz JZYOQQXSEVYQPH-LJQANCHMSA-N -1 0 337.419 3.674 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCCC[C@@H]2[C@@H]2CCCCC2=O)s1 ZINC000833309760 601630776 /nfs/dbraw/zinc/63/07/76/601630776.db2.gz LSHRKQNZLAMAQT-QWHCGFSZSA-N -1 0 349.452 3.590 20 0 EHADRM COc1ccc(-c2cnc(COc3cc(C)sc3C(=O)[O-])o2)cc1 ZINC000832124533 601636501 /nfs/dbraw/zinc/63/65/01/601636501.db2.gz RDVSHKXXXKQNEE-UHFFFAOYSA-N -1 0 345.376 3.997 20 0 EHADRM C[C@H]1CN(Cc2ccc(C(=O)[O-])c(F)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000568289184 601642697 /nfs/dbraw/zinc/64/26/97/601642697.db2.gz UONNYXFXRFBBMG-KPZWWZAWSA-N -1 0 347.361 3.625 20 0 EHADRM COc1c(F)ccc(F)c1C(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC000831856735 601650717 /nfs/dbraw/zinc/65/07/17/601650717.db2.gz OAODPVXOQREBQB-UHFFFAOYSA-N -1 0 342.681 3.544 20 0 EHADRM COc1cc(C)c(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)cc1OC ZINC000831962039 601650883 /nfs/dbraw/zinc/65/08/83/601650883.db2.gz RTNQSSNCVKYXMJ-UHFFFAOYSA-N -1 0 349.770 3.616 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2c[nH]nc2-c2ccccc2F)cc1 ZINC000833288997 601668164 /nfs/dbraw/zinc/66/81/64/601668164.db2.gz CWCASJBNMYLBNK-UHFFFAOYSA-N -1 0 340.314 3.558 20 0 EHADRM CCC1(C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)CCCC1 ZINC000236870151 601672277 /nfs/dbraw/zinc/67/22/77/601672277.db2.gz NZSLFVVYQIHDGW-UHFFFAOYSA-N -1 0 333.428 3.517 20 0 EHADRM O=C([O-])C1CCC(NC(=O)CCCc2csc3ccccc23)CC1 ZINC000238008893 601675985 /nfs/dbraw/zinc/67/59/85/601675985.db2.gz KMAWGPDFUPIRTN-UHFFFAOYSA-N -1 0 345.464 3.984 20 0 EHADRM CN(Cc1ccc(NC(=O)[C@@H]2C[C@H]2Cc2ccccc2)cc1)C(=O)[O-] ZINC000830830502 601678657 /nfs/dbraw/zinc/67/86/57/601678657.db2.gz FZFGWQGALDXNPP-SJLPKXTDSA-N -1 0 338.407 3.614 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)CCCc1csc2ccccc12 ZINC000236823198 601683153 /nfs/dbraw/zinc/68/31/53/601683153.db2.gz HIXRGKFFNFMQKT-UHFFFAOYSA-N -1 0 333.453 3.984 20 0 EHADRM CC(C)c1cccc(C(C)C)c1NC(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000827134347 601684174 /nfs/dbraw/zinc/68/41/74/601684174.db2.gz SJCWDOYSTPXXSE-GOSISDBHSA-N -1 0 336.407 3.964 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)CCCc1csc2ccccc12 ZINC000237092502 601684305 /nfs/dbraw/zinc/68/43/05/601684305.db2.gz ZQENMYTVTMGFLD-GOSISDBHSA-N -1 0 333.453 3.984 20 0 EHADRM C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)NCC(C)(C)C(=O)[O-] ZINC000827940626 601686693 /nfs/dbraw/zinc/68/66/93/601686693.db2.gz HSDZAVZWUKTHEQ-SNVBAGLBSA-N -1 0 346.349 3.519 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CC(Cc3ccccc3Cl)C2)cc1 ZINC000833319597 601692835 /nfs/dbraw/zinc/69/28/35/601692835.db2.gz LSMMGPVOUFUPSF-UHFFFAOYSA-N -1 0 344.798 3.745 20 0 EHADRM Cc1ccc(SC2(C(=O)N3C[C@H](C(=O)[O-])[C@H](C)C3)CCCC2)cc1 ZINC000832958253 601696356 /nfs/dbraw/zinc/69/63/56/601696356.db2.gz XZZZAZHLRZHVIW-ZBFHGGJFSA-N -1 0 347.480 3.579 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)CCCOc1ccccc1 ZINC000833032094 601702494 /nfs/dbraw/zinc/70/24/94/601702494.db2.gz UHUSTTVIUGUSKH-UHFFFAOYSA-N -1 0 334.393 3.657 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@H]2CCCc3ccccc32)cc1F ZINC000833316103 601721577 /nfs/dbraw/zinc/72/15/77/601721577.db2.gz PVJMQLJYEZSSLZ-HNNXBMFYSA-N -1 0 328.339 3.687 20 0 EHADRM CCO[C@@H](C(=O)OCc1cc(C(=O)[O-])sc1C)c1ccccc1 ZINC000829901840 601725008 /nfs/dbraw/zinc/72/50/08/601725008.db2.gz SSPFZPILAWXABQ-OAHLLOKOSA-N -1 0 334.393 3.576 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)CCc1cc(F)ccc1F ZINC000833031812 601725494 /nfs/dbraw/zinc/72/54/94/601725494.db2.gz QJCMXSPBMXPWFY-UHFFFAOYSA-N -1 0 340.347 3.709 20 0 EHADRM CC(C)(C(=O)OCc1ccc(C(=O)[O-])c(F)c1)c1ccccc1F ZINC000826126454 601726367 /nfs/dbraw/zinc/72/63/67/601726367.db2.gz CADOSIIXLRNYQC-UHFFFAOYSA-N -1 0 334.318 3.684 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000827591871 601729618 /nfs/dbraw/zinc/72/96/18/601729618.db2.gz BNNNUPXKCONZGQ-LLVKDONJSA-N -1 0 334.318 3.585 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2nc(CCCC(=O)[O-])cs2)C1(C)C ZINC000826647283 601746856 /nfs/dbraw/zinc/74/68/56/601746856.db2.gz CAWPBJWMTNVDQT-OCCSQVGLSA-N -1 0 336.457 3.727 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(-c2nc3ccccc3s2)s1)C(=O)[O-] ZINC000236994130 601748683 /nfs/dbraw/zinc/74/86/83/601748683.db2.gz FVDNMXHLTVCBJI-SECBINFHSA-N -1 0 346.433 3.618 20 0 EHADRM O=C([O-])CCCc1csc(NC(=O)c2cc3cccc(F)c3o2)n1 ZINC000833229146 601748773 /nfs/dbraw/zinc/74/87/73/601748773.db2.gz CPWWSHUERGAPBV-UHFFFAOYSA-N -1 0 348.355 3.688 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N1CCC(c2ccc(F)cc2)CC1 ZINC000833288152 601748753 /nfs/dbraw/zinc/74/87/53/601748753.db2.gz BEGKQEDSBCSOLA-UHFFFAOYSA-N -1 0 342.370 3.935 20 0 EHADRM Cc1cccc2c(CCC(=O)N[C@@H](C(=O)[O-])C3CCCCC3)c[nH]c21 ZINC000832975537 601751818 /nfs/dbraw/zinc/75/18/18/601751818.db2.gz CAIJUXKFYJXFFR-LJQANCHMSA-N -1 0 342.439 3.559 20 0 EHADRM COc1ccc2oc(C)c(C(=O)N[C@H](C(=O)[O-])C3CCCCC3)c2c1 ZINC000832510370 601753828 /nfs/dbraw/zinc/75/38/28/601753828.db2.gz IZTZAZHERIUBCR-KRWDZBQOSA-N -1 0 345.395 3.513 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cccc(C(F)(F)F)c1F)C1CCCCC1 ZINC000325512026 601754745 /nfs/dbraw/zinc/75/47/45/601754745.db2.gz IOLVYFOOZVNERQ-CYBMUJFWSA-N -1 0 347.308 3.608 20 0 EHADRM Cc1csc(CS[C@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)n1 ZINC000832989720 601766006 /nfs/dbraw/zinc/76/60/06/601766006.db2.gz MHBVPLQFDUOSOM-SNVBAGLBSA-N -1 0 338.454 3.599 20 0 EHADRM CN(C)C(=O)Sc1ccc(COc2ccc(C(=O)[O-])cc2)cc1 ZINC000830569290 601782497 /nfs/dbraw/zinc/78/24/97/601782497.db2.gz LMTPCAVRPLPZRG-UHFFFAOYSA-N -1 0 331.393 3.738 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)Nc2cc(C)c(C(=O)[O-])s2)c1 ZINC000832528440 601800190 /nfs/dbraw/zinc/80/01/90/601800190.db2.gz LYGQQAPOHDJJMT-JTQLQIEISA-N -1 0 333.409 3.896 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1cc2cccc(Cl)c2o1 ZINC000833325230 601801385 /nfs/dbraw/zinc/80/13/85/601801385.db2.gz MGWULOKDIQANRT-UHFFFAOYSA-N -1 0 341.750 3.987 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)CCCc1cc(C)sc1C ZINC000262074762 601805080 /nfs/dbraw/zinc/80/50/80/601805080.db2.gz JJCNQURAQOPTOB-UHFFFAOYSA-N -1 0 325.474 3.837 20 0 EHADRM O=C([O-])c1sccc1CSc1nnc2sc3ccccc3n12 ZINC000833348010 601806199 /nfs/dbraw/zinc/80/61/99/601806199.db2.gz KMYQNCNENRWGAH-UHFFFAOYSA-N -1 0 347.446 3.996 20 0 EHADRM O=C([O-])c1cccc(C(=O)N[C@H](C2CCCCC2)C(F)(F)F)c1 ZINC000833328484 601806468 /nfs/dbraw/zinc/80/64/68/601806468.db2.gz PTOBBRUUYJHRHL-CYBMUJFWSA-N -1 0 329.318 3.626 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2cnccc2-c2cccc(F)c2)C1 ZINC000833188210 601810515 /nfs/dbraw/zinc/81/05/15/601810515.db2.gz WBEHVBKCPMHRST-ZIAGYGMSSA-N -1 0 342.370 3.717 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000540784330 601818783 /nfs/dbraw/zinc/81/87/83/601818783.db2.gz RRGWMSVJGKWFRZ-GOSISDBHSA-N -1 0 331.456 3.605 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC000537484317 601819277 /nfs/dbraw/zinc/81/92/77/601819277.db2.gz LRRCTUNHIVIXCN-UHFFFAOYSA-N -1 0 345.439 3.749 20 0 EHADRM CC(C)[C@H](CC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccccc1 ZINC000539685969 601821068 /nfs/dbraw/zinc/82/10/68/601821068.db2.gz SDAUDXDKHPYUCM-SFHVURJKSA-N -1 0 331.456 3.920 20 0 EHADRM CC(C)[C@H](CNC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccccc1 ZINC000659394097 601824522 /nfs/dbraw/zinc/82/45/22/601824522.db2.gz NGNHGSJQXBSGDT-SFHVURJKSA-N -1 0 346.471 3.713 20 0 EHADRM CCC[C@H](Cc1ccccc1)NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000659397243 601827017 /nfs/dbraw/zinc/82/70/17/601827017.db2.gz XAUBLXQYSUFKFP-GOSISDBHSA-N -1 0 346.471 3.684 20 0 EHADRM O=C([O-])c1cc(F)c(F)cc1NCc1cn2cc(Cl)ccc2n1 ZINC000833299855 601831421 /nfs/dbraw/zinc/83/14/21/601831421.db2.gz VXKYOZYGCZNRKS-UHFFFAOYSA-N -1 0 337.713 3.576 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Nc2ccc(Cl)cn2)cc1 ZINC000826122615 601837867 /nfs/dbraw/zinc/83/78/67/601837867.db2.gz FSKZEBHWAGWFPQ-UHFFFAOYSA-N -1 0 333.775 3.741 20 0 EHADRM CCn1c(SCc2ccc(C(=O)[O-])s2)nnc1-c1ccco1 ZINC000830416409 601845906 /nfs/dbraw/zinc/84/59/06/601845906.db2.gz UMKLESOXBIXFGA-UHFFFAOYSA-N -1 0 335.410 3.610 20 0 EHADRM C[C@@H](c1ccccc1)n1cnnc1SCc1ccc(C(=O)[O-])s1 ZINC000827948318 601846036 /nfs/dbraw/zinc/84/60/36/601846036.db2.gz COROAZCSBIOSFR-NSHDSACASA-N -1 0 345.449 3.939 20 0 EHADRM O=C([O-])c1ccc(CSc2n[nH]c(Cc3cccs3)n2)s1 ZINC000833317648 601846226 /nfs/dbraw/zinc/84/62/26/601846226.db2.gz XIXYFXSZIYLLIP-UHFFFAOYSA-N -1 0 337.451 3.509 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1cncc(-c2ccccc2)c1 ZINC000769487279 601847520 /nfs/dbraw/zinc/84/75/20/601847520.db2.gz VOVIZAZXOYTTAF-UHFFFAOYSA-N -1 0 326.396 3.514 20 0 EHADRM CC[C@H](NC(=O)NCc1cccc(C(=O)[O-])c1)c1ccc(C)cc1 ZINC000666513313 601848476 /nfs/dbraw/zinc/84/84/76/601848476.db2.gz HBBVEVBDDZMSFO-KRWDZBQOSA-N -1 0 326.396 3.644 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=S)Nc2ccccc2-c2ccccc2)C1 ZINC000828020537 601852891 /nfs/dbraw/zinc/85/28/91/601852891.db2.gz RLHFNDIJIGIWGM-LJQANCHMSA-N -1 0 340.448 3.847 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)C1CCC(NC(=O)[O-])CC1 ZINC000740051006 601866320 /nfs/dbraw/zinc/86/63/20/601866320.db2.gz XFSQZTMWOPHZAL-IYXRBSQSSA-N -1 0 344.411 3.745 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cncc(-c2ccccc2)c1)C1CCCCC1 ZINC000833124314 601871220 /nfs/dbraw/zinc/87/12/20/601871220.db2.gz ZMSGMHKMFMAVLD-GOSISDBHSA-N -1 0 338.407 3.512 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)c2cccc3ncccc32)cc1 ZINC000833264783 601871604 /nfs/dbraw/zinc/87/16/04/601871604.db2.gz ZFSYIZVIAINGEY-UHFFFAOYSA-N -1 0 339.372 3.631 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000833264304 601879099 /nfs/dbraw/zinc/87/90/99/601879099.db2.gz LKSKHSVRGPDUOZ-UHFFFAOYSA-N -1 0 336.796 3.665 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)NCC2(Cc3ccccc3)CCC2)c1 ZINC000833288540 601883300 /nfs/dbraw/zinc/88/33/00/601883300.db2.gz ASNDFSWZLFOSIH-UHFFFAOYSA-N -1 0 338.407 3.919 20 0 EHADRM O=C([O-])NC1CCC(C(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000740554346 601905567 /nfs/dbraw/zinc/90/55/67/601905567.db2.gz VVUFYLTVDCAAOF-HIEASXQVSA-N -1 0 344.455 3.655 20 0 EHADRM COc1cccc([C@H](C)CC(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])c1 ZINC000262088709 601906774 /nfs/dbraw/zinc/90/67/74/601906774.db2.gz LFPSZLHPQRPRTL-JLSDUUJJSA-N -1 0 347.455 3.729 20 0 EHADRM CCC[C@@H]1CCc2ccccc2N1Cc1noc(CCCC(=O)[O-])n1 ZINC000829267792 601955008 /nfs/dbraw/zinc/95/50/08/601955008.db2.gz WSIBIHGTSCKKKL-OAHLLOKOSA-N -1 0 343.427 3.598 20 0 EHADRM CN(Cc1ccco1)C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000830859826 601955768 /nfs/dbraw/zinc/95/57/68/601955768.db2.gz LKCCYHLMNLCBNU-UHFFFAOYSA-N -1 0 342.273 3.661 20 0 EHADRM CCN(CC(=O)Nc1c(C)cccc1C)Cc1ccc(C(=O)[O-])s1 ZINC000829624384 601960424 /nfs/dbraw/zinc/96/04/24/601960424.db2.gz ULXAIJHFOCKJMD-UHFFFAOYSA-N -1 0 346.452 3.524 20 0 EHADRM O=C([O-])Nc1cc(-c2nc(CC3CC3)no2)cc(C(F)(F)F)c1 ZINC000833280186 601969746 /nfs/dbraw/zinc/96/97/46/601969746.db2.gz CDXGHUSQKTUNQN-UHFFFAOYSA-N -1 0 327.262 3.798 20 0 EHADRM CCS[C@@H](C(=O)Nc1ccc(NC(=O)[O-])c(OC)c1)C(C)C ZINC000739520642 601980199 /nfs/dbraw/zinc/98/01/99/601980199.db2.gz RSZLEMVDDALMHC-CYBMUJFWSA-N -1 0 326.418 3.501 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1cccc(Cl)c1F ZINC000832902323 601985033 /nfs/dbraw/zinc/98/50/33/601985033.db2.gz OZUBVGZVLHYAOU-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM C[C@H](CNC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000827496735 601989233 /nfs/dbraw/zinc/98/92/33/601989233.db2.gz FONSMCGUCCKFEV-MRVPVSSYSA-N -1 0 330.306 3.571 20 0 EHADRM Cc1cccc(OCCCC(=O)OCc2ccc(C(=O)[O-])s2)c1 ZINC000832972350 601997179 /nfs/dbraw/zinc/99/71/79/601997179.db2.gz ZOQFMAQGEGZPMT-UHFFFAOYSA-N -1 0 334.393 3.657 20 0 EHADRM O=C([O-])c1ccc(COC(=O)Cc2c(F)cccc2Cl)s1 ZINC000833116511 602001553 /nfs/dbraw/zinc/00/15/53/602001553.db2.gz AXPHIMIBXNXVDM-UHFFFAOYSA-N -1 0 328.748 3.525 20 0 EHADRM CC(C)(C)c1ccc(CCCC(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000236582518 602004342 /nfs/dbraw/zinc/00/43/42/602004342.db2.gz JOSCUXRHPXJKFK-FQEVSTJZSA-N -1 0 331.456 3.630 20 0 EHADRM CCCc1c(C(=O)OCc2ccc(C(=O)[O-])s2)[nH]c(C)c1C(C)=O ZINC000829562557 602005079 /nfs/dbraw/zinc/00/50/79/602005079.db2.gz KHGFCWIFOVFTJJ-UHFFFAOYSA-N -1 0 349.408 3.595 20 0 EHADRM C/C(=C/COC(=O)c1cncc(-c2ccc(Cl)cc2)c1)C(=O)[O-] ZINC000825787209 602014748 /nfs/dbraw/zinc/01/47/48/602014748.db2.gz YIPTYUALJZAJTE-WDZFZDKYSA-N -1 0 331.755 3.590 20 0 EHADRM O=C([O-])Nc1cc(C(=O)NCCCC2CC2)cc(C(F)(F)F)c1 ZINC000833281516 602016097 /nfs/dbraw/zinc/01/60/97/602016097.db2.gz KNVHLYOXICDXFL-UHFFFAOYSA-N -1 0 330.306 3.715 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000238166508 602017829 /nfs/dbraw/zinc/01/78/29/602017829.db2.gz MMIPSDSQWUWYJN-UHFFFAOYSA-N -1 0 346.814 3.777 20 0 EHADRM Cc1cc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)sc1-c1ccc(F)cc1 ZINC000237709742 602018182 /nfs/dbraw/zinc/01/81/82/602018182.db2.gz HQMLMRBGYOHXPI-SFHVURJKSA-N -1 0 347.411 3.799 20 0 EHADRM Cc1nc2ccc(NC(=O)N[C@@H]3CCCCCC[C@H]3C(=O)[O-])cc2o1 ZINC000833006685 602028811 /nfs/dbraw/zinc/02/88/11/602028811.db2.gz SKCFKOGEKQQEEE-ZIAGYGMSSA-N -1 0 345.399 3.681 20 0 EHADRM C[C@@H](OC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1)C(F)(F)F ZINC000827844523 602038531 /nfs/dbraw/zinc/03/85/31/602038531.db2.gz PLSFSZHTWRWSSC-RXMQYKEDSA-N -1 0 345.195 3.903 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)Nc1cccc(SC(F)F)c1 ZINC000736422761 602040326 /nfs/dbraw/zinc/04/03/26/602040326.db2.gz ABAKYXMLVIGEKW-NSHDSACASA-N -1 0 332.372 3.622 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)c1cccc(Cl)c1F ZINC000833132177 602042745 /nfs/dbraw/zinc/04/27/45/602042745.db2.gz WKWRHLPQSDXMSA-ZWNOBZJWSA-N -1 0 327.783 3.633 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(F)c2C(=O)[O-])c(Cl)cc1F ZINC000832867546 602055255 /nfs/dbraw/zinc/05/52/55/602055255.db2.gz YZELZSJAEQHSSG-UHFFFAOYSA-N -1 0 325.698 3.877 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2ccc3nc(Cl)ccc3c2)c1 ZINC000833329602 602060871 /nfs/dbraw/zinc/06/08/71/602060871.db2.gz XNEYHEGJXRBVIO-UHFFFAOYSA-N -1 0 340.766 3.516 20 0 EHADRM CS[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC000832736586 602062648 /nfs/dbraw/zinc/06/26/48/602062648.db2.gz YIGQATMPLUYNIF-LBPRGKRZSA-N -1 0 345.420 3.654 20 0 EHADRM O=C([O-])c1ccc(OCc2ccccc2)c(NC(=O)c2ccc[nH]2)c1 ZINC000833323829 602063927 /nfs/dbraw/zinc/06/39/27/602063927.db2.gz KYGODPVSDYKUQU-UHFFFAOYSA-N -1 0 336.347 3.544 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)/C=C\c2ccc3ccccc3n2)c1 ZINC000492198869 602068912 /nfs/dbraw/zinc/06/89/12/602068912.db2.gz OSJVZTNRHRXBDQ-KHPPLWFESA-N -1 0 332.359 3.514 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)CCSc2ccc(F)cc2)c1 ZINC000322020224 602069430 /nfs/dbraw/zinc/06/94/30/602069430.db2.gz KFBCFWUZRZCSRA-UHFFFAOYSA-N -1 0 333.384 3.574 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)CSc2ccc(Cl)cc2)c1 ZINC000238109925 602069911 /nfs/dbraw/zinc/06/99/11/602069911.db2.gz DNUQWROGMHNBSS-UHFFFAOYSA-N -1 0 335.812 3.698 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2cc(Cl)sc2Cl)c1 ZINC000225939601 602074246 /nfs/dbraw/zinc/07/42/46/602074246.db2.gz QIKUIJULVJSBST-UHFFFAOYSA-N -1 0 330.192 3.934 20 0 EHADRM Cc1ccc(C(=O)O[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)cn1 ZINC000832919211 602083169 /nfs/dbraw/zinc/08/31/69/602083169.db2.gz XUPJQPCNBIFHTK-ZDUSSCGKSA-N -1 0 340.162 3.680 20 0 EHADRM CC(C)Oc1ccc(NC(=O)Nc2cccc(CC(=O)[O-])c2)c(F)c1 ZINC000737644085 602100222 /nfs/dbraw/zinc/10/02/22/602100222.db2.gz OUHLOPJNFOJOKK-UHFFFAOYSA-N -1 0 346.358 3.884 20 0 EHADRM Cc1cc(NC(=O)NCc2nc(C(C)C)cs2)ccc1C(=O)[O-] ZINC000832894876 602102078 /nfs/dbraw/zinc/10/20/78/602102078.db2.gz LSMWGXLQEACPNT-UHFFFAOYSA-N -1 0 333.413 3.595 20 0 EHADRM C[C@H](CC(=O)[O-])c1nc(-c2ccc(COc3ccccc3)cc2)no1 ZINC000827391604 602102663 /nfs/dbraw/zinc/10/26/63/602102663.db2.gz GVAMAFYWUCLFBG-CYBMUJFWSA-N -1 0 338.363 3.894 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1ccc2sccc2c1 ZINC000345865606 602121207 /nfs/dbraw/zinc/12/12/07/602121207.db2.gz NYKPRURUEQMQFM-UHFFFAOYSA-N -1 0 341.388 3.925 20 0 EHADRM Cc1ccccc1-c1nc(CNc2cc(C(=O)[O-])c(F)cc2F)no1 ZINC000832975276 602127203 /nfs/dbraw/zinc/12/72/03/602127203.db2.gz SWHUJLBYUGEKCI-UHFFFAOYSA-N -1 0 345.305 3.634 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 ZINC000739237998 602133031 /nfs/dbraw/zinc/13/30/31/602133031.db2.gz PVAAMTQSTUPPAT-BONVTDFDSA-N -1 0 345.399 3.579 20 0 EHADRM Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)[C@@H](C)CC(=O)[O-] ZINC000832907428 602153686 /nfs/dbraw/zinc/15/36/86/602153686.db2.gz VFVACQQJARBVCN-NWDGAFQWSA-N -1 0 346.452 3.715 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)Nc1ccccc1OCc1cccc(Cl)c1 ZINC000827318529 602167447 /nfs/dbraw/zinc/16/74/47/602167447.db2.gz XQAWDZCCNYBRMY-LBPRGKRZSA-N -1 0 347.798 3.968 20 0 EHADRM CCSc1ccc(C(=O)Nc2ccc(NC(=O)[O-])c(OC)c2)cn1 ZINC000739516483 602168900 /nfs/dbraw/zinc/16/89/00/602168900.db2.gz DRFBOUIMQWZCBT-UHFFFAOYSA-N -1 0 347.396 3.544 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1F)C1CCCCC1 ZINC000325430114 602169614 /nfs/dbraw/zinc/16/96/14/602169614.db2.gz YYWNYBXNKGCRCK-ZDUSSCGKSA-N -1 0 347.308 3.608 20 0 EHADRM COc1ccc(SCCC(=O)Nc2ccccc2NC(=O)[O-])cc1 ZINC000739931840 602177080 /nfs/dbraw/zinc/17/70/80/602177080.db2.gz DNUATFBEBGOILU-UHFFFAOYSA-N -1 0 346.408 3.906 20 0 EHADRM CCOC(=O)Nc1ccc(C(=O)Nc2ccccc2NC(=O)[O-])cc1 ZINC000739475359 602177510 /nfs/dbraw/zinc/17/75/10/602177510.db2.gz PEJHACGTUWWEOO-UHFFFAOYSA-N -1 0 343.339 3.597 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2ccccc2NC(=O)[O-])s1 ZINC000740102739 602178789 /nfs/dbraw/zinc/17/87/89/602178789.db2.gz HPBZKJHSPQVYCQ-UHFFFAOYSA-N -1 0 332.381 3.748 20 0 EHADRM C[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000191380370 602180294 /nfs/dbraw/zinc/18/02/94/602180294.db2.gz XIRVCLYELFSXJN-QMMMGPOBSA-N -1 0 325.773 3.506 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2ccc3[nH]c(C(F)F)nc3c2)c1 ZINC000574865133 602187754 /nfs/dbraw/zinc/18/77/54/602187754.db2.gz HQXUMBKNANLVQY-UHFFFAOYSA-N -1 0 337.307 3.513 20 0 EHADRM O=C([O-])c1csc(NC(=O)CCc2ccc(OC(F)F)cc2)c1 ZINC000191353524 602188300 /nfs/dbraw/zinc/18/83/00/602188300.db2.gz YLKIUSLNCPLNIC-UHFFFAOYSA-N -1 0 341.335 3.619 20 0 EHADRM CN(CC(=O)Nc1ccccc1SCc1ccccc1)C(=O)[O-] ZINC000739628580 602190594 /nfs/dbraw/zinc/19/05/94/602190594.db2.gz OFXOQBACMSUPTK-UHFFFAOYSA-N -1 0 330.409 3.527 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2cccc(CNC(=O)[O-])c2)cc1 ZINC000740147004 602201732 /nfs/dbraw/zinc/20/17/32/602201732.db2.gz UZOPXKLXPNKQNR-UHFFFAOYSA-N -1 0 342.395 3.560 20 0 EHADRM CCc1ccc(CCC(=O)Nc2cccc(CNC(=O)[O-])c2)cc1 ZINC000739544905 602202252 /nfs/dbraw/zinc/20/22/52/602202252.db2.gz XEAHUIDICBVXFL-UHFFFAOYSA-N -1 0 326.396 3.588 20 0 EHADRM CC[C@@]1(C)CCN(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC000829049912 602206674 /nfs/dbraw/zinc/20/66/74/602206674.db2.gz HRICLZYMWJONOH-INIZCTEOSA-N -1 0 342.342 3.640 20 0 EHADRM C[C@@H](OC(=O)c1cccc(NC(=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000736697590 602213695 /nfs/dbraw/zinc/21/36/95/602213695.db2.gz MDDPLSLRWNPXJK-SNVBAGLBSA-N -1 0 325.324 3.571 20 0 EHADRM Cc1ccc(CNC(=O)[C@@H](C)CC(=O)[O-])c(O[C@@H](C)CC(C)C)c1 ZINC000832932164 602231650 /nfs/dbraw/zinc/23/16/50/602231650.db2.gz CGNUHTHLVGPASV-GJZGRUSLSA-N -1 0 335.444 3.535 20 0 EHADRM CN(CCCC(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C)C(=O)[O-] ZINC000830759347 602235660 /nfs/dbraw/zinc/23/56/60/602235660.db2.gz XUKODOKPCJBNEM-OAHLLOKOSA-N -1 0 342.386 3.558 20 0 EHADRM C[C@H](CC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])c1ccc(F)cc1 ZINC000738892049 602236998 /nfs/dbraw/zinc/23/69/98/602236998.db2.gz RUBXABSAFGCROD-GFCCVEGCSA-N -1 0 342.370 3.999 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000194956218 602247367 /nfs/dbraw/zinc/24/73/67/602247367.db2.gz QTRFIKBBQRPJTA-MRXNPFEDSA-N -1 0 331.799 3.984 20 0 EHADRM Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)[C@H](C)NC(=O)[O-] ZINC000740089048 602253903 /nfs/dbraw/zinc/25/39/03/602253903.db2.gz LMMFOAZHJJVTAL-KBPBESRZSA-N -1 0 342.395 3.730 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)N2CCCSc3ccccc32)cc1 ZINC000740671752 602260269 /nfs/dbraw/zinc/26/02/69/602260269.db2.gz SOZWCLSZDPIOJQ-UHFFFAOYSA-N -1 0 342.420 3.597 20 0 EHADRM CCC(=O)c1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000828574402 602270966 /nfs/dbraw/zinc/27/09/66/602270966.db2.gz PHUMILIDDAUADG-MRXNPFEDSA-N -1 0 346.766 3.915 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)OCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000827342113 602275799 /nfs/dbraw/zinc/27/57/99/602275799.db2.gz RRNQIXVNSKFAMR-CYBMUJFWSA-N -1 0 346.354 3.559 20 0 EHADRM CN(Cc1ccc(Cl)s1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000830825423 602289652 /nfs/dbraw/zinc/28/96/52/602289652.db2.gz VDBMKJSVZZEKIC-UHFFFAOYSA-N -1 0 330.818 3.825 20 0 EHADRM Cc1nc(C)c(C)c(Oc2ccc(C(=O)[O-])cc2Br)n1 ZINC000832994546 602313549 /nfs/dbraw/zinc/31/35/49/602313549.db2.gz KQCNCINNBHDHBO-UHFFFAOYSA-N -1 0 337.173 3.655 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739961172 602320389 /nfs/dbraw/zinc/32/03/89/602320389.db2.gz SKCZOLALLKIZAY-CYBMUJFWSA-N -1 0 342.395 3.595 20 0 EHADRM CN(C(=O)CCCCCc1cccs1)c1ncc(C(=O)[O-])s1 ZINC000830471314 602339737 /nfs/dbraw/zinc/33/97/37/602339737.db2.gz AWEYGKZKVHJMGK-UHFFFAOYSA-N -1 0 338.454 3.669 20 0 EHADRM C[C@H](NC(=O)C1(NC(=O)[O-])CCCC1)c1ccc2ccccc2c1 ZINC000738950466 602341309 /nfs/dbraw/zinc/34/13/09/602341309.db2.gz DMOQUSDSSJDAES-ZDUSSCGKSA-N -1 0 326.396 3.597 20 0 EHADRM CC1(C)Cc2cc(NC(=O)c3ccc(NC(=O)[O-])cc3)ccc2O1 ZINC000828078413 602345890 /nfs/dbraw/zinc/34/58/90/602345890.db2.gz MMECOBDLUJZHMA-UHFFFAOYSA-N -1 0 326.352 3.742 20 0 EHADRM CC(C)Sc1ccc([C@H](C)NC(=O)[C@H]2CCCN2C(=O)[O-])cc1 ZINC000738870512 602352834 /nfs/dbraw/zinc/35/28/34/602352834.db2.gz ZLBUYQOOHCDEBU-SWLSCSKDSA-N -1 0 336.457 3.507 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2C[C@]23CCCc2ccccc23)cc1F ZINC000776645896 602353991 /nfs/dbraw/zinc/35/39/91/602353991.db2.gz CWTSONCQOSNVBV-UZLBHIALSA-N -1 0 339.366 3.757 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)cc1F ZINC000767199996 602354861 /nfs/dbraw/zinc/35/48/61/602354861.db2.gz BQOBWSJEELTXGB-RYUDHWBXSA-N -1 0 335.281 3.544 20 0 EHADRM COc1cccc(/C(C)=C\C(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000776647337 602355006 /nfs/dbraw/zinc/35/50/06/602355006.db2.gz JOQXHMGVEDOEGB-FLIBITNWSA-N -1 0 329.327 3.575 20 0 EHADRM O=C([O-])NC1CCC(C(=O)Nc2ccc3c4c(cccc42)CC3)CC1 ZINC000740558001 602359492 /nfs/dbraw/zinc/35/94/92/602359492.db2.gz POEKJQGADOTYRQ-UHFFFAOYSA-N -1 0 338.407 3.703 20 0 EHADRM CC(C)c1ccc([C@H](CNC(=O)c2ccsc2)NC(=O)[O-])cc1 ZINC000738882647 602361402 /nfs/dbraw/zinc/36/14/02/602361402.db2.gz NEABOICRACUOOM-HNNXBMFYSA-N -1 0 332.425 3.610 20 0 EHADRM Cc1ccc(CCCCC(=O)N2CCC(CN(C)C(=O)[O-])CC2)cc1 ZINC000740126136 602367268 /nfs/dbraw/zinc/36/72/68/602367268.db2.gz YEIQLFHFWKQRNI-UHFFFAOYSA-N -1 0 346.471 3.556 20 0 EHADRM CC[C@H](c1ccccc1)N(CC)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000829025403 602369761 /nfs/dbraw/zinc/36/97/61/602369761.db2.gz CAEYICPJSVUZJP-OAHLLOKOSA-N -1 0 329.400 3.728 20 0 EHADRM CC(C)N(Cc1cccc(Cl)c1)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000826951465 602373314 /nfs/dbraw/zinc/37/33/14/602373314.db2.gz JSUFFMHJBMTEKI-UHFFFAOYSA-N -1 0 349.818 3.819 20 0 EHADRM Cc1csc([C@@H](NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)C2CC2)n1 ZINC000832988758 602373406 /nfs/dbraw/zinc/37/34/06/602373406.db2.gz GDWDUPBGIGNUHX-ZDUSSCGKSA-N -1 0 349.387 3.562 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCC[C@H]2c2ccccc2)cc1F ZINC000833320458 602373836 /nfs/dbraw/zinc/37/38/36/602373836.db2.gz XHRUMJXXFNLQMB-INIZCTEOSA-N -1 0 328.343 3.893 20 0 EHADRM C[C@@]1(c2ccccc2)CCN(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000828127491 602378450 /nfs/dbraw/zinc/37/84/50/602378450.db2.gz DLQFXJHRUVLRSV-LJQANCHMSA-N -1 0 342.370 3.719 20 0 EHADRM C[C@@H](NC(=O)C1CCC(NC(=O)[O-])CC1)c1ccc(C(C)(C)C)cc1 ZINC000738954330 602380559 /nfs/dbraw/zinc/38/05/59/602380559.db2.gz LATNQTUDORQZEE-BZOOQXSSSA-N -1 0 346.471 3.988 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1F ZINC000325913875 602381143 /nfs/dbraw/zinc/38/11/43/602381143.db2.gz NKDMLNPPVPUEHJ-SNVBAGLBSA-N -1 0 334.322 3.854 20 0 EHADRM Cc1cccc([C@@H](C)CNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000832966503 602388861 /nfs/dbraw/zinc/38/88/61/602388861.db2.gz PAPHAPOBHVHPCA-LBPRGKRZSA-N -1 0 330.359 3.758 20 0 EHADRM Cc1ccc(CN(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C2CC2)o1 ZINC000832932317 602389528 /nfs/dbraw/zinc/38/95/28/602389528.db2.gz SBMMGOMFAKLORU-UHFFFAOYSA-N -1 0 332.331 3.622 20 0 EHADRM Cc1ccc(CC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c(Cl)c1 ZINC000832927840 602391694 /nfs/dbraw/zinc/39/16/94/602391694.db2.gz BZIMEUWXULRSFJ-UGSOOPFHSA-N -1 0 345.826 3.769 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000833158462 602397785 /nfs/dbraw/zinc/39/77/85/602397785.db2.gz ISHBCDMYGPPFTL-UHFFFAOYSA-N -1 0 344.273 3.570 20 0 EHADRM O=C([O-])Nc1cc(-c2nc(COc3ccccc3)no2)ccc1F ZINC000740693120 602405796 /nfs/dbraw/zinc/40/57/96/602405796.db2.gz OZFFOOSCEPKALG-UHFFFAOYSA-N -1 0 329.287 3.545 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc([C@H]2CCCc3ccccc32)n1 ZINC000738814625 602406889 /nfs/dbraw/zinc/40/68/89/602406889.db2.gz DHLJIZOMABNYQE-GJZGRUSLSA-N -1 0 329.400 3.893 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(Cc2ccccc2OC(C)C)n1 ZINC000738824858 602407792 /nfs/dbraw/zinc/40/77/92/602407792.db2.gz UBCMHRHFRLRBGU-AWEZNQCLSA-N -1 0 347.415 3.802 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(COc2ccc(Cl)cc2)n1 ZINC000738822432 602407813 /nfs/dbraw/zinc/40/78/13/602407813.db2.gz JBDJYZFQUIJGBO-LBPRGKRZSA-N -1 0 339.779 3.657 20 0 EHADRM CC(C)CCc1nc(CN2CCC(CN(C)C(=O)[O-])CC2)cs1 ZINC000738820884 602408011 /nfs/dbraw/zinc/40/80/11/602408011.db2.gz OUIPNPGZWIYGCA-UHFFFAOYSA-N -1 0 339.505 3.554 20 0 EHADRM Cc1ccc2oc(-c3nc([C@H](CC(C)C)NC(=O)[O-])no3)cc2n1 ZINC000740157552 602410038 /nfs/dbraw/zinc/41/00/38/602410038.db2.gz AVHOUNGNUZBBBM-NSHDSACASA-N -1 0 330.344 3.541 20 0 EHADRM Cc1cccc2[nH]cc(Cc3nc([C@H](CC(C)C)NC(=O)[O-])no3)c21 ZINC000740174858 602410127 /nfs/dbraw/zinc/41/01/27/602410127.db2.gz MRGCTKYDNIXEOJ-AWEZNQCLSA-N -1 0 342.399 3.805 20 0 EHADRM CC[C@H](Cc1nc(C2(NC(=O)[O-])CCCC2)no1)c1ccccc1 ZINC000739258534 602413369 /nfs/dbraw/zinc/41/33/69/602413369.db2.gz HBTLCNAJERLNNZ-CYBMUJFWSA-N -1 0 329.400 3.843 20 0 EHADRM O=C([O-])NC1(c2noc([C@@H]3C[C@@H]3c3ccc(F)cc3)n2)CCCC1 ZINC000740548923 602413697 /nfs/dbraw/zinc/41/36/97/602413697.db2.gz MHLGBWZAEDOURQ-CHWSQXEVSA-N -1 0 331.347 3.517 20 0 EHADRM COc1ccc(NC(=S)Nc2ccc(NC(=O)[O-])cc2)cc1F ZINC000738040319 602431052 /nfs/dbraw/zinc/43/10/52/602431052.db2.gz QJTQELLVBFEIGB-UHFFFAOYSA-N -1 0 335.360 3.733 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)N1CCC[C@H](CN(C)C(=O)[O-])C1)c1ccccc1 ZINC000739227220 602450572 /nfs/dbraw/zinc/45/05/72/602450572.db2.gz RRWFNSATOADTCA-LZLYRXPVSA-N -1 0 346.471 3.665 20 0 EHADRM Cc1ccccc1[C@H](C)NC(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000740185301 602451299 /nfs/dbraw/zinc/45/12/99/602451299.db2.gz UJPWOQKXLMGPNT-ZDUSSCGKSA-N -1 0 327.384 3.645 20 0 EHADRM CC(C)(NC(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccccc1 ZINC000738754924 602452231 /nfs/dbraw/zinc/45/22/31/602452231.db2.gz YZKJMISYTVYVOQ-UHFFFAOYSA-N -1 0 327.384 3.511 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)N1CCC([C@@H](C)NC(=O)[O-])CC1 ZINC000740133049 602465055 /nfs/dbraw/zinc/46/50/55/602465055.db2.gz NFQXSMCSYXCEOR-LLVKDONJSA-N -1 0 339.823 3.548 20 0 EHADRM Cc1ccc2c(c1)CCCN2C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000740154547 602481892 /nfs/dbraw/zinc/48/18/92/602481892.db2.gz QJOYPVICJUTHHM-UHFFFAOYSA-N -1 0 328.343 3.817 20 0 EHADRM Cc1cc(F)c2c(c1)CCCN2C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000740080569 602485527 /nfs/dbraw/zinc/48/55/27/602485527.db2.gz BHHGWJGKUKAICY-UHFFFAOYSA-N -1 0 346.333 3.956 20 0 EHADRM O=C([O-])N1CCc2ccc(NC(=O)c3ccc(Cl)cc3F)cc2C1 ZINC000740467813 602487042 /nfs/dbraw/zinc/48/70/42/602487042.db2.gz WDRRYKGQYSZKIO-UHFFFAOYSA-N -1 0 348.761 3.768 20 0 EHADRM O=C([O-])N1CCc2ccc(NC(=O)Cc3cccc(Cl)c3)cc2C1 ZINC000740384119 602487567 /nfs/dbraw/zinc/48/75/67/602487567.db2.gz IJJURVCTBVDWNS-UHFFFAOYSA-N -1 0 344.798 3.557 20 0 EHADRM O=C([O-])N1CCc2ccc(NC(=O)c3ccc(C(F)F)cc3)cc2C1 ZINC000740464969 602489191 /nfs/dbraw/zinc/48/91/91/602489191.db2.gz FKPJGCZEMCFYKL-UHFFFAOYSA-N -1 0 346.333 3.913 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@H]3CCCCN3C(=O)[O-])c2)cs1 ZINC000740209560 602493283 /nfs/dbraw/zinc/49/32/83/602493283.db2.gz MFGHPFZFAMOLDW-OAHLLOKOSA-N -1 0 345.424 3.590 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)[C@@H]3CCCCN3C(=O)[O-])cc2)cs1 ZINC000740206844 602493573 /nfs/dbraw/zinc/49/35/73/602493573.db2.gz GEBHQQVZLUBRED-HNNXBMFYSA-N -1 0 345.424 3.590 20 0 EHADRM C[C@@H](CCNC(=O)c1cc(-c2ccccc2)ccc1Cl)NC(=O)[O-] ZINC000738908093 602495353 /nfs/dbraw/zinc/49/53/53/602495353.db2.gz WJFLPGKFRGFTQN-LBPRGKRZSA-N -1 0 346.814 3.783 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2cccc(-n3cccc3)c2)ccc1F ZINC000740699035 602497558 /nfs/dbraw/zinc/49/75/58/602497558.db2.gz QDXXLBPDEIZOFO-UHFFFAOYSA-N -1 0 339.326 3.959 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000740104557 602499347 /nfs/dbraw/zinc/49/93/47/602499347.db2.gz VKYNNCOGTREGDJ-UHFFFAOYSA-N -1 0 326.352 3.687 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2ccc(NC(=O)[O-])cc2)s1 ZINC000740102286 602500001 /nfs/dbraw/zinc/50/00/01/602500001.db2.gz CNPPCYCPAYSORB-UHFFFAOYSA-N -1 0 332.381 3.748 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cccn2Cc2ccccc2)cc1 ZINC000740712123 602502639 /nfs/dbraw/zinc/50/26/39/602502639.db2.gz SXGASDJTDPFUGC-UHFFFAOYSA-N -1 0 335.363 3.879 20 0 EHADRM COc1cccc2cc(C(=O)Nc3ccc(NC(=O)[O-])cc3)oc21 ZINC000739952616 602502744 /nfs/dbraw/zinc/50/27/44/602502744.db2.gz BTNIGGHPBVPKAF-UHFFFAOYSA-N -1 0 326.308 3.784 20 0 EHADRM COc1ccc(CCCC(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000739898374 602504323 /nfs/dbraw/zinc/50/43/23/602504323.db2.gz OPLRWTBCRNHPOE-UHFFFAOYSA-N -1 0 328.368 3.747 20 0 EHADRM COc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])c(F)c1 ZINC000739880438 602506885 /nfs/dbraw/zinc/50/68/85/602506885.db2.gz CHJQDPSJZDYQAV-UHFFFAOYSA-N -1 0 344.342 3.517 20 0 EHADRM O=C(/C=C\c1ccsc1)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000740352355 602507194 /nfs/dbraw/zinc/50/71/94/602507194.db2.gz YKQMACVTIAFTMA-UTCJRWHESA-N -1 0 328.393 3.831 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)c3cccc4ncccc43)ccc21 ZINC000740472107 602508068 /nfs/dbraw/zinc/50/80/68/602508068.db2.gz PKXLEWRDTHNLPC-UHFFFAOYSA-N -1 0 347.374 3.918 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)C2(c3cccc(F)c3)CCC2)c1 ZINC000740673942 602517316 /nfs/dbraw/zinc/51/73/16/602517316.db2.gz JDZTZDDXSXLMAH-UHFFFAOYSA-N -1 0 342.370 3.654 20 0 EHADRM CN(C(=O)[O-])C1CCN(C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000737932666 602558062 /nfs/dbraw/zinc/55/80/62/602558062.db2.gz GSELGMRGROINFK-UHFFFAOYSA-N -1 0 346.214 3.600 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N2CC[C@H](c3ccccc3F)C2)cc1 ZINC000738663771 602560453 /nfs/dbraw/zinc/56/04/53/602560453.db2.gz BKLMEWATCMFVCG-LBPRGKRZSA-N -1 0 343.358 3.937 20 0 EHADRM O=C([O-])N1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000739490066 602568764 /nfs/dbraw/zinc/56/87/64/602568764.db2.gz YQXXZDYPEWPMBC-UHFFFAOYSA-N -1 0 329.331 3.506 20 0 EHADRM CCc1cccc(NC(=O)N2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)c1 ZINC000739547136 602580777 /nfs/dbraw/zinc/58/07/77/602580777.db2.gz HPMUCOCMNKJPDJ-DOTOQJQBSA-N -1 0 345.443 3.635 20 0 EHADRM CCc1ccccc1NC(=O)N1CCC[C@H]([C@H]2CCCN2C(=O)[O-])C1 ZINC000739549955 602581358 /nfs/dbraw/zinc/58/13/58/602581358.db2.gz OTUDRIWTCCRVNZ-DOTOQJQBSA-N -1 0 345.443 3.635 20 0 EHADRM O=C([O-])N1CCC(NC(=O)Nc2cccc(-c3cccs3)c2)CC1 ZINC000738512161 602594909 /nfs/dbraw/zinc/59/49/09/602594909.db2.gz UUXXLXJJSLIHLJ-UHFFFAOYSA-N -1 0 345.424 3.679 20 0 EHADRM C[C@H](CNC(=O)[O-])N(C)C(=O)Nc1ccc2oc3ccccc3c2c1 ZINC000738933196 602597086 /nfs/dbraw/zinc/59/70/86/602597086.db2.gz MGOYTODPJGXRLU-LLVKDONJSA-N -1 0 341.367 3.706 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NCc2cc3ccccc3o2)cc1 ZINC000740710649 602600443 /nfs/dbraw/zinc/60/04/43/602600443.db2.gz HUZHVWLORSGACA-UHFFFAOYSA-N -1 0 325.324 3.844 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)cc1 ZINC000740710083 602600905 /nfs/dbraw/zinc/60/09/05/602600905.db2.gz JWENFYAUWYSJDN-LSDHHAIUSA-N -1 0 329.331 3.593 20 0 EHADRM Cc1ccc(OC[C@H](C)NC(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000740149380 602601069 /nfs/dbraw/zinc/60/10/69/602601069.db2.gz ZDXARAYFRDQDSX-ZDUSSCGKSA-N -1 0 343.383 3.674 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000740711301 602602664 /nfs/dbraw/zinc/60/26/64/602602664.db2.gz XTBOFJXQPBVRHI-UHFFFAOYSA-N -1 0 333.775 3.794 20 0 EHADRM CN(C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-])C(C1CC1)C1CC1 ZINC000739576870 602605246 /nfs/dbraw/zinc/60/52/46/602605246.db2.gz UXEQMZRKDRGWMA-UHFFFAOYSA-N -1 0 343.427 3.770 20 0 EHADRM CN(C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1)c1cc(F)ccc1F ZINC000739575152 602642678 /nfs/dbraw/zinc/64/26/78/602642678.db2.gz SGQQPLMUHROBIS-OAHLLOKOSA-N -1 0 348.349 3.717 20 0 EHADRM Cc1nc(C)c(COC(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)s1 ZINC000740217848 602643962 /nfs/dbraw/zinc/64/39/62/602643962.db2.gz NGMAQTYUTSEVMT-CQSZACIVSA-N -1 0 348.424 3.592 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)OCc1ccc(Cl)nc1)c1ccccc1 ZINC000740540514 602658487 /nfs/dbraw/zinc/65/84/87/602658487.db2.gz RALLOVUJJRTXJQ-AWEZNQCLSA-N -1 0 348.786 3.567 20 0 EHADRM COc1ccc([C@H](NC(=O)[O-])c2ccccc2)cc1Br ZINC000737960883 602671336 /nfs/dbraw/zinc/67/13/36/602671336.db2.gz DJCAKSOWMKLOBV-CQSZACIVSA-N -1 0 336.185 3.815 20 0 EHADRM CSC[C@H](C)C(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000739999566 602685296 /nfs/dbraw/zinc/68/52/96/602685296.db2.gz QNPOQNQUBQAYPE-ZETCQYMHSA-N -1 0 336.335 3.733 20 0 EHADRM CCC[C@@H](NC(=O)N1CCC([C@H](C)NC(=O)[O-])CC1)c1ccccc1 ZINC000739301318 602692940 /nfs/dbraw/zinc/69/29/40/602692940.db2.gz DNHZNGWOLVFLLH-WMLDXEAASA-N -1 0 347.459 3.606 20 0 EHADRM O=C([O-])NCc1cccc(OC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000740680789 602728146 /nfs/dbraw/zinc/72/81/46/602728146.db2.gz VFZFHDNEZJLRSX-NEPJUHHUSA-N -1 0 345.317 3.728 20 0 EHADRM CCC[C@@H](OC(=O)c1csc(CNC(=O)[O-])n1)c1ccccc1 ZINC000739327437 602728834 /nfs/dbraw/zinc/72/88/34/602728834.db2.gz FBMBVRFZZOGIPO-CYBMUJFWSA-N -1 0 334.397 3.609 20 0 EHADRM O=C([O-])NCc1cccc(OC(=O)c2cc(F)c(F)cc2Cl)c1 ZINC000740675533 602730750 /nfs/dbraw/zinc/73/07/50/602730750.db2.gz DSYIIWHEJIINHH-UHFFFAOYSA-N -1 0 341.697 3.605 20 0 EHADRM CCN(Cc1ccccc1NC(=O)CO[C@@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000739444117 602731823 /nfs/dbraw/zinc/73/18/23/602731823.db2.gz OVMCFTAQMYHNDV-GDBMZVCRSA-N -1 0 348.443 3.720 20 0 EHADRM C[C@H](NC(=O)[O-])C1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000739017525 602757299 /nfs/dbraw/zinc/75/72/99/602757299.db2.gz WJBHMSUZVIZPFV-VIFPVBQESA-N -1 0 345.226 3.502 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)N1CCC[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000740538183 602784210 /nfs/dbraw/zinc/78/42/10/602784210.db2.gz LDIKJTXSVJVBTP-GVDBMIGSSA-N -1 0 330.428 3.567 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)N[C@@H](CC2CC2)c2ccccc2)cc1 ZINC000740672998 602784271 /nfs/dbraw/zinc/78/42/71/602784271.db2.gz BHHDZPAWOMOGCJ-SFHVURJKSA-N -1 0 338.407 3.725 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)c2sccc2OC(F)F)c1 ZINC000740704080 602784456 /nfs/dbraw/zinc/78/44/56/602784456.db2.gz HYRXVDZNRMXYCH-UHFFFAOYSA-N -1 0 346.286 3.831 20 0 EHADRM CC(C)(CCC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1)NC(=O)[O-] ZINC000738742638 602785725 /nfs/dbraw/zinc/78/57/25/602785725.db2.gz JCVHCVHACHUMAH-HNNXBMFYSA-N -1 0 338.835 3.734 20 0 EHADRM CC(C)(CCC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1)NC(=O)[O-] ZINC000738738349 602788296 /nfs/dbraw/zinc/78/82/96/602788296.db2.gz DIYLSBNMJCFZAO-CQSZACIVSA-N -1 0 338.835 3.830 20 0 EHADRM Cc1ccc(-c2nc(CN3CC[C@H](NC(=O)[O-])[C@H](C)C3)cs2)cc1 ZINC000740092298 602795379 /nfs/dbraw/zinc/79/53/79/602795379.db2.gz ASCDLTABRJDIOP-CJNGLKHVSA-N -1 0 345.468 3.597 20 0 EHADRM C[C@@H](C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-])c1ccsc1 ZINC000738628481 602802314 /nfs/dbraw/zinc/80/23/14/602802314.db2.gz FDCFKDGRWPDSKG-LLVKDONJSA-N -1 0 330.409 3.921 20 0 EHADRM CN(C(=O)CCC(C)(C)NC(=O)[O-])[C@H](c1ccccc1)C(F)(F)F ZINC000739572217 602802976 /nfs/dbraw/zinc/80/29/76/602802976.db2.gz CYHSWFUKRLDAGA-CYBMUJFWSA-N -1 0 346.349 3.575 20 0 EHADRM O=C([O-])NC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)cc1Cl ZINC000740630603 602804506 /nfs/dbraw/zinc/80/45/06/602804506.db2.gz LJYRIIHPQBEYLQ-TVQRCGJNSA-N -1 0 345.226 3.550 20 0 EHADRM C[C@H]1c2ccc(F)cc2CCN1C(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000739207008 602816983 /nfs/dbraw/zinc/81/69/83/602816983.db2.gz NKNNWPYOTFGMFQ-LBPRGKRZSA-N -1 0 342.370 3.604 20 0 EHADRM CCC[C@@H](NC(=O)C[C@H](C)NC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000826745427 602817250 /nfs/dbraw/zinc/81/72/50/602817250.db2.gz XHJUEZARMHKXHK-GXFFZTMASA-N -1 0 346.349 3.709 20 0 EHADRM CC(C)(CCC(=O)N1CCC[C@H]1c1ccccc1Cl)NC(=O)[O-] ZINC000738738115 602825000 /nfs/dbraw/zinc/82/50/00/602825000.db2.gz CQOULZFCEZEJCI-AWEZNQCLSA-N -1 0 338.835 3.830 20 0 EHADRM Cc1ccc(CN(C)C(=O)[C@H](C)[C@@H](NC(=O)[O-])c2ccccc2)s1 ZINC000830302746 602840338 /nfs/dbraw/zinc/84/03/38/602840338.db2.gz NGMGURNWLZXFIB-CZUORRHYSA-N -1 0 346.452 3.660 20 0 EHADRM Cc1cc2cc(C(=O)N3CCC(CN(C)C(=O)[O-])CC3)oc2cc1C ZINC000830144595 602853781 /nfs/dbraw/zinc/85/37/81/602853781.db2.gz WOFFCKFDZFJSND-UHFFFAOYSA-N -1 0 344.411 3.512 20 0 EHADRM C[C@H](NC(=O)c1ccc(NC(=O)[O-])cc1Cl)c1cccc(O)c1 ZINC000739023430 602857649 /nfs/dbraw/zinc/85/76/49/602857649.db2.gz MVFOGZCIKPCWMI-VIFPVBQESA-N -1 0 334.759 3.627 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccccc1CN(C)C(=O)[O-])c1nccs1 ZINC000739268843 602901305 /nfs/dbraw/zinc/90/13/05/602901305.db2.gz SCQLMQLKNOFJBT-GFCCVEGCSA-N -1 0 348.428 3.526 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000826633858 602905992 /nfs/dbraw/zinc/90/59/92/602905992.db2.gz XXURDAWYAOKWHE-XKQJLSEDSA-N -1 0 348.443 3.767 20 0 EHADRM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)c1ccc(CNC(=O)[O-])o1 ZINC000830555773 602921567 /nfs/dbraw/zinc/92/15/67/602921567.db2.gz ZLCHJXSAUQNSIM-QGZVFWFLSA-N -1 0 344.411 3.825 20 0 EHADRM CCN(CC)C(=O)[C@@H](Nc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000737079059 602928374 /nfs/dbraw/zinc/92/83/74/602928374.db2.gz WZHACALGLRDWST-KRWDZBQOSA-N -1 0 341.411 3.798 20 0 EHADRM CC[C@H](Cc1nc(C2(NC(=O)[O-])CCC2)no1)c1ccc(C)cc1 ZINC000739258504 602930311 /nfs/dbraw/zinc/93/03/11/602930311.db2.gz GCKHBHHTUMAQIP-CYBMUJFWSA-N -1 0 329.400 3.761 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@H]2CCC[C@H]2NC(=O)[O-])cc1Cl ZINC000738866150 602951907 /nfs/dbraw/zinc/95/19/07/602951907.db2.gz YCBXXMPWQMMOBB-WCQYABFASA-N -1 0 340.807 3.502 20 0 EHADRM COc1ccc(NC(=O)[C@H](C)c2cccc(C)c2)cc1NC(=O)[O-] ZINC000739913992 602954634 /nfs/dbraw/zinc/95/46/34/602954634.db2.gz AGZIOINCBJQCJB-GFCCVEGCSA-N -1 0 328.368 3.836 20 0 EHADRM CC(C)c1ccc(CCCNC(=O)CC2CCN(C(=O)[O-])CC2)cc1 ZINC000738881208 602962548 /nfs/dbraw/zinc/96/25/48/602962548.db2.gz DZMWRAQXGPCENT-UHFFFAOYSA-N -1 0 346.471 3.639 20 0 EHADRM C[C@@H](CC(=O)Oc1ccc(NC(=O)[O-])cc1)C(=O)c1ccccc1 ZINC000736560817 602963452 /nfs/dbraw/zinc/96/34/52/602963452.db2.gz FBKVXZKJEFCZDU-LBPRGKRZSA-N -1 0 327.336 3.591 20 0 EHADRM CC(C)Sc1c(Cl)cccc1NC(=O)C[C@H](C)NC(=O)[O-] ZINC000824702187 602986362 /nfs/dbraw/zinc/98/63/62/602986362.db2.gz BPNCGIWCTKDVCK-VIFPVBQESA-N -1 0 330.837 3.825 20 0 EHADRM CC(C)n1ncc2cc(NC(=O)c3ccc(NC(=O)[O-])cc3)ccc21 ZINC000736539563 602989700 /nfs/dbraw/zinc/98/97/00/602989700.db2.gz KDXQACYIOWQUEX-UHFFFAOYSA-N -1 0 338.367 3.959 20 0 EHADRM Cc1ccc([C@H]2CCCCN2C(=O)c2ccc(CNC(=O)[O-])o2)cc1 ZINC000830282347 602990400 /nfs/dbraw/zinc/99/04/00/602990400.db2.gz PZVNJERDGACKKF-MRXNPFEDSA-N -1 0 342.395 3.723 20 0 EHADRM O=C([O-])NC1(c2noc(-c3ccc(-c4ccccc4)[nH]3)n2)CCCC1 ZINC000740548108 603003734 /nfs/dbraw/zinc/00/37/34/603003734.db2.gz LRXGELATHIOAKW-UHFFFAOYSA-N -1 0 338.367 3.769 20 0 EHADRM CC(C)c1ccc(CCc2nc(C3(NC(=O)[O-])CCC3)no2)cc1 ZINC000738881627 603004632 /nfs/dbraw/zinc/00/46/32/603004632.db2.gz GCEGCOHVWFYRMZ-UHFFFAOYSA-N -1 0 329.400 3.625 20 0 EHADRM C[C@@H](CSc1ccccc1)c1nc([C@H](C)CN(C)C(=O)[O-])no1 ZINC000738910508 603010906 /nfs/dbraw/zinc/01/09/06/603010906.db2.gz RZUPPANMNOCVSC-NEPJUHHUSA-N -1 0 335.429 3.679 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NCc2cn3cc(Cl)ccc3n2)c1 ZINC000740702988 603020189 /nfs/dbraw/zinc/02/01/89/603020189.db2.gz FWGPPHGITKSDFB-UHFFFAOYSA-N -1 0 334.738 3.829 20 0 EHADRM COCc1cccc(NC(=O)Nc2cc(NC(=O)[O-])ccc2F)c1 ZINC000739843428 603033085 /nfs/dbraw/zinc/03/30/85/603033085.db2.gz QFSDXJQTLJLWSE-UHFFFAOYSA-N -1 0 333.319 3.706 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N2CCCc3ccccc3C2)c1 ZINC000740707964 603034005 /nfs/dbraw/zinc/03/40/05/603034005.db2.gz WEXSMWOSUFHAPR-UHFFFAOYSA-N -1 0 343.358 3.896 20 0 EHADRM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)CC2CCN(C(=O)[O-])CC2)C1 ZINC000739085731 603039099 /nfs/dbraw/zinc/03/90/99/603039099.db2.gz UWGPRILWCFAJQS-DYVFJYSZSA-N -1 0 348.418 3.515 20 0 EHADRM CCN(C(=O)Nc1cc(NC(=O)[O-])ccc1F)[C@H](C)c1cccnc1 ZINC000739381278 603039340 /nfs/dbraw/zinc/03/93/40/603039340.db2.gz MOJCBHOGYBHYGI-LLVKDONJSA-N -1 0 346.362 3.926 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N2CC[C@H](c3ccccc3)C2)c1 ZINC000740706282 603043591 /nfs/dbraw/zinc/04/35/91/603043591.db2.gz IZVPRZDNWSIXSP-ZDUSSCGKSA-N -1 0 343.358 3.937 20 0 EHADRM COc1cc(Cl)ccc1C(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000829136411 603047136 /nfs/dbraw/zinc/04/71/36/603047136.db2.gz ZLEMRSVQCRYKMK-UHFFFAOYSA-N -1 0 335.743 3.682 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)c2cc(F)c(F)c(F)c2F)cc1 ZINC000827914343 603052440 /nfs/dbraw/zinc/05/24/40/603052440.db2.gz OTOWIBZROVTMRN-UHFFFAOYSA-N -1 0 343.232 3.576 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)[C@@H]2CSc3ccccc32)c1 ZINC000739922683 603053839 /nfs/dbraw/zinc/05/38/39/603053839.db2.gz URZXHMPOBOSCEE-GFCCVEGCSA-N -1 0 344.392 3.613 20 0 EHADRM CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000736250948 603066875 /nfs/dbraw/zinc/06/68/75/603066875.db2.gz NGJJWNGOSKOXPN-WFASDCNBSA-N -1 0 349.431 3.739 20 0 EHADRM CC(C)(CNC(=O)c1ccc(F)c(NC(=O)[O-])c1)c1cccs1 ZINC000738753801 603102944 /nfs/dbraw/zinc/10/29/44/603102944.db2.gz ZISJPQODTQZLKJ-UHFFFAOYSA-N -1 0 336.388 3.685 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NCCc2cc3ccccc3o2)cc1 ZINC000738665887 603138776 /nfs/dbraw/zinc/13/87/76/603138776.db2.gz RNHZBXWJAUBYEY-UHFFFAOYSA-N -1 0 339.351 3.887 20 0 EHADRM CCc1ccc(CNC(=O)Nc2ccccc2CN(C)C(=O)[O-])s1 ZINC000739542044 603139727 /nfs/dbraw/zinc/13/97/27/603139727.db2.gz MCKDCUDAJPUVQN-UHFFFAOYSA-N -1 0 347.440 3.742 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2CN(C)C(=O)[O-])o1 ZINC000740113218 603141081 /nfs/dbraw/zinc/14/10/81/603141081.db2.gz JXNGFKOXBFGBBS-GFCCVEGCSA-N -1 0 331.372 3.581 20 0 EHADRM CN(Cc1ccccc1NC(=O)NCc1ccc(Cl)cc1)C(=O)[O-] ZINC000739718690 603142032 /nfs/dbraw/zinc/14/20/32/603142032.db2.gz TXFVYIRALYJOJP-UHFFFAOYSA-N -1 0 347.802 3.772 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000740576352 603149492 /nfs/dbraw/zinc/14/94/92/603149492.db2.gz UCKIRSREVIQMOD-PSASIEDQSA-N -1 0 331.199 3.758 20 0 EHADRM Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)Oc1ccc(NC(=O)[O-])cc1 ZINC000830555161 603156036 /nfs/dbraw/zinc/15/60/36/603156036.db2.gz QXAAMQDLNJMGML-UONOGXRCSA-N -1 0 342.395 3.730 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)COc2ccc(NC(=O)[O-])cc2)cc1C ZINC000738262452 603156708 /nfs/dbraw/zinc/15/67/08/603156708.db2.gz YWHLRJBBOPYSNY-AWEZNQCLSA-N -1 0 342.395 3.650 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2ccc3ncsc3c2)cc1 ZINC000825442832 603171383 /nfs/dbraw/zinc/17/13/83/603171383.db2.gz RAVIQRIUHPFIJU-SNVBAGLBSA-N -1 0 341.392 3.877 20 0 EHADRM CN(Cc1ccccc1NC(=O)c1cc2occc2s1)C(=O)[O-] ZINC000739718304 603172436 /nfs/dbraw/zinc/17/24/36/603172436.db2.gz PKSOKWBLYLFUTN-UHFFFAOYSA-N -1 0 330.365 3.856 20 0 EHADRM CCc1ccc(CC(=O)Nc2cc(OC)ccc2NC(=O)[O-])cc1 ZINC000739545072 603173149 /nfs/dbraw/zinc/17/31/49/603173149.db2.gz ZWCZLPXBGLPOHV-UHFFFAOYSA-N -1 0 328.368 3.529 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)CO[C@@H]2CCC[C@@H](C)C2)cc1 ZINC000825887371 603173283 /nfs/dbraw/zinc/17/32/83/603173283.db2.gz KZXVKYPOWFIBRL-DVOMOZLQSA-N -1 0 334.416 3.549 20 0 EHADRM CCN(C(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1)[C@@H](C)c1ccc(F)cc1 ZINC000739378398 603174324 /nfs/dbraw/zinc/17/43/24/603174324.db2.gz UDUYLWLBHXBCSK-JGGQBBKZSA-N -1 0 336.407 3.562 20 0 EHADRM Cc1cc(OC(C)C)ccc1NC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000740088212 603176241 /nfs/dbraw/zinc/17/62/41/603176241.db2.gz FQAJWVSGKCBCPB-UONOGXRCSA-N -1 0 334.416 3.547 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)C(C)(C)c2cccs2)cc1 ZINC000825416073 603176351 /nfs/dbraw/zinc/17/63/51/603176351.db2.gz JLKOMKVVEGWWQR-LLVKDONJSA-N -1 0 332.425 3.993 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000825021833 603176500 /nfs/dbraw/zinc/17/65/00/603176500.db2.gz BEBTXGFPMOGQCF-STQMWFEESA-N -1 0 344.386 3.972 20 0 EHADRM CCc1nc(C)c(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)s1 ZINC000827627788 603178183 /nfs/dbraw/zinc/17/81/83/603178183.db2.gz WSVLLYGZZUVDSC-SECBINFHSA-N -1 0 333.413 3.595 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NCc2occc2Br)cc1 ZINC000825449786 603179117 /nfs/dbraw/zinc/17/91/17/603179117.db2.gz ZMAWLFUWLFVIST-VIFPVBQESA-N -1 0 339.189 3.983 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)/C=C/c2ccccc2F)cc1 ZINC000825416125 603180390 /nfs/dbraw/zinc/18/03/90/603180390.db2.gz JUKZZPRCKPUFLS-JATZPVMKSA-N -1 0 328.343 3.806 20 0 EHADRM CCO[C@@H](C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1)c1ccccc1 ZINC000827362021 603183478 /nfs/dbraw/zinc/18/34/78/603183478.db2.gz LZTNKHROVUWZHN-CXAGYDPISA-N -1 0 342.395 3.732 20 0 EHADRM CCO[C@H](C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1)c1ccccc1 ZINC000827362023 603183482 /nfs/dbraw/zinc/18/34/82/603183482.db2.gz LZTNKHROVUWZHN-GUYCJALGSA-N -1 0 342.395 3.732 20 0 EHADRM Cc1ccc(CC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)cc1C ZINC000830287953 603186007 /nfs/dbraw/zinc/18/60/07/603186007.db2.gz CUWQUGYXKJTMFC-AWEZNQCLSA-N -1 0 326.396 3.813 20 0 EHADRM CC(=O)Nc1cccc(OC(=O)c2ccc(NC(=O)[O-])cc2Cl)c1 ZINC000738586973 603202266 /nfs/dbraw/zinc/20/22/66/603202266.db2.gz BJOZGDVWJVPHAI-UHFFFAOYSA-N -1 0 348.742 3.608 20 0 EHADRM Cc1ccc(C)c(NC(=O)[C@H](C)[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000830267475 603208614 /nfs/dbraw/zinc/20/86/14/603208614.db2.gz DVMVQZKRAPARRL-RHSMWYFYSA-N -1 0 326.396 3.887 20 0 EHADRM C[C@H](NC(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000823714676 603209787 /nfs/dbraw/zinc/20/97/87/603209787.db2.gz QMODDHKZTCUKMY-ZQIUZPCESA-N -1 0 326.396 3.509 20 0 EHADRM CCOc1ccc(NC(=O)[C@H](C)[C@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000827432908 603211168 /nfs/dbraw/zinc/21/11/68/603211168.db2.gz DMMMTFOVHQYUPQ-DYVFJYSZSA-N -1 0 342.395 3.669 20 0 EHADRM COCc1ccccc1CNC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739844525 603216517 /nfs/dbraw/zinc/21/65/17/603216517.db2.gz APBCOPZATBMYJL-UHFFFAOYSA-N -1 0 348.786 3.506 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)c(Cl)c1 ZINC000740698383 603225500 /nfs/dbraw/zinc/22/55/00/603225500.db2.gz KBHKNTWZRSQGHY-BLLLJJGKSA-N -1 0 344.798 3.791 20 0 EHADRM CC(C)c1ccc([C@@H](C)NC(=O)c2ccc(CNC(=O)[O-])o2)cc1 ZINC000824464791 603233895 /nfs/dbraw/zinc/23/38/95/603233895.db2.gz WBOTXYRXDLFUOC-GFCCVEGCSA-N -1 0 330.384 3.662 20 0 EHADRM CN(C(=O)c1ccc(NC(=O)[O-])cc1Cl)c1cc(F)ccc1F ZINC000739594616 603235043 /nfs/dbraw/zinc/23/50/43/603235043.db2.gz XRWHDRIVCVMJAM-UHFFFAOYSA-N -1 0 340.713 3.985 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=S)Nc2ccc(F)cc2)cc1 ZINC000825449443 603239196 /nfs/dbraw/zinc/23/91/96/603239196.db2.gz QKYCIGHOBGCDSI-JTQLQIEISA-N -1 0 333.388 3.963 20 0 EHADRM O=C([O-])N1CC[C@H](C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)C1 ZINC000740463793 603242820 /nfs/dbraw/zinc/24/28/20/603242820.db2.gz WLMOQNAUNSEMOP-LBPRGKRZSA-N -1 0 346.333 3.570 20 0 EHADRM COc1ccc(NC(=O)N2C[C@H](C)CCC[C@@H]2C)cc1NC(=O)[O-] ZINC000829461114 603270722 /nfs/dbraw/zinc/27/07/22/603270722.db2.gz UEXXKEGNHFHSKJ-NEPJUHHUSA-N -1 0 335.404 3.828 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)Nc2ccc3c(c2)CCO3)cc1 ZINC000825442761 603272109 /nfs/dbraw/zinc/27/21/09/603272109.db2.gz PBWOKZSODKNGCW-LLVKDONJSA-N -1 0 341.367 3.594 20 0 EHADRM Cc1ccc(C(=O)NCCc2cccc3cccnc32)cc1NC(=O)[O-] ZINC000830219714 603272199 /nfs/dbraw/zinc/27/21/99/603272199.db2.gz HLHNVGMMAIQKFV-UHFFFAOYSA-N -1 0 349.390 3.606 20 0 EHADRM C[C@H](CC(=O)Nc1ccccc1Sc1ccccc1)NC(=O)[O-] ZINC000824702496 603276896 /nfs/dbraw/zinc/27/68/96/603276896.db2.gz FDFWEKOFZCCCQS-GFCCVEGCSA-N -1 0 330.409 3.823 20 0 EHADRM CCN(c1ccc(NC(=O)c2ccc(CNC(=O)[O-])o2)cc1)C(C)C ZINC000827198717 603277316 /nfs/dbraw/zinc/27/73/16/603277316.db2.gz KHAVCMDJXNROPT-UHFFFAOYSA-N -1 0 345.399 3.534 20 0 EHADRM Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1NC(=O)[O-] ZINC000830204541 603282607 /nfs/dbraw/zinc/28/26/07/603282607.db2.gz HBCWTFSTPBMDNF-VXGBXAGGSA-N -1 0 344.333 3.936 20 0 EHADRM CCOc1cccc(NC(=O)[C@H](NC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000739509738 603283175 /nfs/dbraw/zinc/28/31/75/603283175.db2.gz YAYFJNNIWHGXEL-OAHLLOKOSA-N -1 0 348.786 3.686 20 0 EHADRM C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(CNC(=O)[O-])o1 ZINC000825623761 603290556 /nfs/dbraw/zinc/29/05/56/603290556.db2.gz OWLMGXBRPWIJTI-LLVKDONJSA-N -1 0 342.351 3.627 20 0 EHADRM O=C([O-])N[C@H](C(=O)Nc1cccc(F)c1F)c1cccc(Cl)c1 ZINC000740530978 603291486 /nfs/dbraw/zinc/29/14/86/603291486.db2.gz BMRIZIPLVLCEBQ-ZDUSSCGKSA-N -1 0 340.713 3.566 20 0 EHADRM O=C([O-])N1CCCN(C(=O)CCc2ccsc2)c2ccccc21 ZINC000740515186 603297673 /nfs/dbraw/zinc/29/76/73/603297673.db2.gz FBUWHVQJEAGZNJ-UHFFFAOYSA-N -1 0 330.409 3.602 20 0 EHADRM CC[C@]1(C)CCCN(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])C1 ZINC000826643687 603301182 /nfs/dbraw/zinc/30/11/82/603301182.db2.gz ARZQFECMXVSEPI-GOSISDBHSA-N -1 0 331.416 3.771 20 0 EHADRM Cc1cnc([C@H](NC(=O)Nc2ccc(NC(=O)[O-])cc2)C2CC2)s1 ZINC000830624628 603311608 /nfs/dbraw/zinc/31/16/08/603311608.db2.gz KNZOKNJYPHBQCD-CYBMUJFWSA-N -1 0 346.412 3.814 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)[C@H](CNC(=O)[O-])c2ccccc2)c(C)s1 ZINC000829979837 603312150 /nfs/dbraw/zinc/31/21/50/603312150.db2.gz IJOKQXLYSHHHMD-MLGOLLRUSA-N -1 0 346.452 3.594 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@@H]2CCc3c2cccc3O)c(Cl)c1 ZINC000740699698 603315868 /nfs/dbraw/zinc/31/58/68/603315868.db2.gz XBBNZTFZUANRJZ-CQSZACIVSA-N -1 0 346.770 3.553 20 0 EHADRM CCC[C@]1(C)CCCN(C(=O)Nc2cccc(CNC(=O)[O-])c2)C1 ZINC000826768421 603318045 /nfs/dbraw/zinc/31/80/45/603318045.db2.gz HFLWJGAVWADZLN-GOSISDBHSA-N -1 0 333.432 3.888 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NC2CCC(NC(=O)[O-])CC2)cc1 ZINC000738882189 603319774 /nfs/dbraw/zinc/31/97/74/603319774.db2.gz JVZBHRFOGKTKCB-ZGUYJTEBSA-N -1 0 344.455 3.609 20 0 EHADRM CCC[C@@H](NC(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccccn1 ZINC000739306546 603320371 /nfs/dbraw/zinc/32/03/71/603320371.db2.gz XWUOQNUHXVACKZ-MRXNPFEDSA-N -1 0 342.399 3.512 20 0 EHADRM CN(Cc1ccccc1NC(=O)N(C)CCc1cccs1)C(=O)[O-] ZINC000828394405 603327655 /nfs/dbraw/zinc/32/76/55/603327655.db2.gz WISNXDIOUNEAOC-UHFFFAOYSA-N -1 0 347.440 3.564 20 0 EHADRM C[C@H](c1ccco1)N(C)C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000739060970 603338734 /nfs/dbraw/zinc/33/87/34/603338734.db2.gz QRMHDORUBKELKI-GFCCVEGCSA-N -1 0 331.372 3.614 20 0 EHADRM CCN(Cc1cccc(NC(=O)N2C[C@H](C)C[C@H](C)C2)c1)C(=O)[O-] ZINC000739441015 603344205 /nfs/dbraw/zinc/34/42/05/603344205.db2.gz CRLYTEVAYXRZCJ-OKILXGFUSA-N -1 0 333.432 3.696 20 0 EHADRM CCN(Cc1ccccc1NC(=O)NCc1ccc(F)cc1)C(=O)[O-] ZINC000739442138 603352415 /nfs/dbraw/zinc/35/24/15/603352415.db2.gz IGCBPVDJRXHWSW-UHFFFAOYSA-N -1 0 345.374 3.647 20 0 EHADRM Cc1ccccc1C[C@@H](C)NC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000830566764 603361947 /nfs/dbraw/zinc/36/19/47/603361947.db2.gz GCMXGOBZMSNMMX-CQSZACIVSA-N -1 0 326.396 3.754 20 0 EHADRM CN(Cc1cccc(NC(=O)N2CCC[C@@H]2c2ccco2)c1)C(=O)[O-] ZINC000739707240 603363455 /nfs/dbraw/zinc/36/34/55/603363455.db2.gz KSHXGUAFOHDNJB-OAHLLOKOSA-N -1 0 343.383 3.758 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)NCc2ccc(Cl)cc2)cc1 ZINC000825434307 603363877 /nfs/dbraw/zinc/36/38/77/603363877.db2.gz PYEUEOPSVZFIMY-LLVKDONJSA-N -1 0 347.802 3.990 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N(C)C(C2CC2)C2CC2)cc1 ZINC000825421678 603365236 /nfs/dbraw/zinc/36/52/36/603365236.db2.gz BQPGWAAYXHCMAK-LLVKDONJSA-N -1 0 331.416 3.668 20 0 EHADRM CCOc1cccc(NC(=O)[C@@H](C)[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000827453747 603371182 /nfs/dbraw/zinc/37/11/82/603371182.db2.gz ZGJYGWIGHKYAAW-GUYCJALGSA-N -1 0 342.395 3.669 20 0 EHADRM Cc1ccsc1CNC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000830620909 603373808 /nfs/dbraw/zinc/37/38/08/603373808.db2.gz SFDNXJXIGCGEPR-NSHDSACASA-N -1 0 333.413 3.707 20 0 EHADRM CC(C)c1ccc(NC(=S)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])cc1 ZINC000738875308 603374783 /nfs/dbraw/zinc/37/47/83/603374783.db2.gz FWHYWFACJSZHIJ-UKRRQHHQSA-N -1 0 335.473 3.533 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000739085003 603393095 /nfs/dbraw/zinc/39/30/95/603393095.db2.gz SMXCSIKHWJEJRQ-RHSMWYFYSA-N -1 0 338.407 3.724 20 0 EHADRM Cc1ccc(C(=O)N(C)CCc2ccc(F)cc2)cc1NC(=O)[O-] ZINC000830182228 603396780 /nfs/dbraw/zinc/39/67/80/603396780.db2.gz VIQDNIKLXKZPGN-UHFFFAOYSA-N -1 0 330.359 3.539 20 0 EHADRM COc1ccc(NC(=O)C[C@@H]2CCc3ccccc32)cc1NC(=O)[O-] ZINC000739918136 603397888 /nfs/dbraw/zinc/39/78/88/603397888.db2.gz BRXQDZNNBGNAPH-ZDUSSCGKSA-N -1 0 340.379 3.844 20 0 EHADRM O=C([O-])N(Cc1nc(-c2cccc(C(F)(F)F)c2)no1)CC1CC1 ZINC000831830757 603409012 /nfs/dbraw/zinc/40/90/12/603409012.db2.gz UDWGHVVHYJDOES-UHFFFAOYSA-N -1 0 341.289 3.645 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000832317569 603410059 /nfs/dbraw/zinc/41/00/59/603410059.db2.gz AIKSUCDSHLVLLJ-GXSJLCMTSA-N -1 0 341.289 3.659 20 0 EHADRM COc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])c(C)c1 ZINC000739881218 603413217 /nfs/dbraw/zinc/41/32/17/603413217.db2.gz IYXVDVVYYAGYEN-UHFFFAOYSA-N -1 0 340.379 3.687 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc([C@H]2C[C@]23CCCc2ccccc23)n1 ZINC000824901268 603421643 /nfs/dbraw/zinc/42/16/43/603421643.db2.gz GHNOTSIPEMDKFZ-PEELUZDISA-N -1 0 341.411 3.545 20 0 EHADRM COc1cccc(-c2noc(-c3ccc(C)c(NC(=O)[O-])c3)n2)c1 ZINC000829532153 603424117 /nfs/dbraw/zinc/42/41/17/603424117.db2.gz WMNNYWSZXLWZOU-UHFFFAOYSA-N -1 0 325.324 3.811 20 0 EHADRM Cc1ccc(NC(=O)C[C@H](Cc2ccccc2)NC(=O)[O-])c(C)c1 ZINC000830364234 603427012 /nfs/dbraw/zinc/42/70/12/603427012.db2.gz OKLMSNPFIVQZBC-INIZCTEOSA-N -1 0 326.396 3.511 20 0 EHADRM Cc1c(CSC(C)C)cccc1NC(=O)[C@@H]1CCCN1C(=O)[O-] ZINC000740053446 603433874 /nfs/dbraw/zinc/43/38/74/603433874.db2.gz RJJVYZARLJTKGC-HNNXBMFYSA-N -1 0 336.457 3.718 20 0 EHADRM C[C@@H]1CN(C)c2ccccc2N(C(=O)c2ccc(NC(=O)[O-])cc2)C1 ZINC000736810243 603434472 /nfs/dbraw/zinc/43/44/72/603434472.db2.gz SYVSKZPSQUCVPI-CYBMUJFWSA-N -1 0 339.395 3.509 20 0 EHADRM Cc1cccc(CCCOC(=O)c2ccc(C)c(NC(=O)[O-])c2)n1 ZINC000830494172 603436310 /nfs/dbraw/zinc/43/63/10/603436310.db2.gz YPWUEDAWFQMKKM-UHFFFAOYSA-N -1 0 328.368 3.578 20 0 EHADRM Cc1ccc(NC(=O)NCCc2ccc(NC(=O)[O-])cc2)c(F)c1 ZINC000738627054 603460896 /nfs/dbraw/zinc/46/08/96/603460896.db2.gz IABNWLPZTSXLCP-UHFFFAOYSA-N -1 0 331.347 3.588 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N(CC(C)C)C1CC1 ZINC000829167879 603530852 /nfs/dbraw/zinc/53/08/52/603530852.db2.gz RUNYDAIMSTZPPQ-UHFFFAOYSA-N -1 0 340.807 3.699 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N1CCC[C@@H](C)[C@H]1C ZINC000829173507 603541369 /nfs/dbraw/zinc/54/13/69/603541369.db2.gz KIRHGSOTUQVOPH-NXEZZACHSA-N -1 0 340.807 3.699 20 0 EHADRM CC(C)(C)Sc1ccc(NC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)cc1 ZINC000823839434 603554193 /nfs/dbraw/zinc/55/41/93/603554193.db2.gz WNHTYWZHKXDKON-YPMHNXCESA-N -1 0 336.457 3.952 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000825858530 603582903 /nfs/dbraw/zinc/58/29/03/603582903.db2.gz BHKZNXLWBKNAFY-PBFPGSCMSA-N -1 0 343.427 3.912 20 0 EHADRM CC(C)(CNC(=O)Nc1cccc(-c2cccs2)c1)NC(=O)[O-] ZINC000823946890 603591742 /nfs/dbraw/zinc/59/17/42/603591742.db2.gz MTFNFHDREZVETH-UHFFFAOYSA-N -1 0 333.413 3.583 20 0 EHADRM CC[C@H](NC(=O)N(C)C1CCC(NC(=O)[O-])CC1)c1ccc(C)cc1 ZINC000826600710 603612645 /nfs/dbraw/zinc/61/26/45/603612645.db2.gz KSADWEDFRPHVCI-JCYILVPMSA-N -1 0 347.459 3.666 20 0 EHADRM CCC[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccccc1 ZINC000826745839 603683481 /nfs/dbraw/zinc/68/34/81/603683481.db2.gz ZPCAYUYUPSYFGS-HMQMGEFJSA-N -1 0 345.443 3.500 20 0 EHADRM CSc1ccc(F)cc1CNC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000829766986 603736794 /nfs/dbraw/zinc/73/67/94/603736794.db2.gz WTJARRSWCWSJJK-UHFFFAOYSA-N -1 0 348.399 3.876 20 0 EHADRM CC(C)[C@H](NC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000824129019 603748965 /nfs/dbraw/zinc/74/89/65/603748965.db2.gz KNKJGKZPFGCJLQ-SNPRPXQTSA-N -1 0 338.835 3.590 20 0 EHADRM CC(C)[C@@H](CCN(C)[C@@H](C)c1ncc(C(C)(C)C)o1)NC(=O)[O-] ZINC000824100622 603852819 /nfs/dbraw/zinc/85/28/19/603852819.db2.gz XQHAANHCRLTBBE-QWHCGFSZSA-N -1 0 325.453 3.647 20 0 EHADRM CC[C@@H](Oc1ccccc1C)c1nc(C2(NC(=O)[O-])CCC2)no1 ZINC000826633818 603879978 /nfs/dbraw/zinc/87/99/78/603879978.db2.gz XVDWBUVPGPRLKG-GFCCVEGCSA-N -1 0 331.372 3.555 20 0 EHADRM C[C@H](C(=O)N1CCC(N(C)C(=O)[O-])CC1)c1ccc2ccccc2c1 ZINC000823660758 603889210 /nfs/dbraw/zinc/88/92/10/603889210.db2.gz CXSJDWDKNDPFNG-AWEZNQCLSA-N -1 0 340.423 3.544 20 0 EHADRM O=C([O-])N[C@H]1CC[C@H](C(=O)N(Cc2ccccc2)c2ccccc2)C1 ZINC000832240327 603953864 /nfs/dbraw/zinc/95/38/64/603953864.db2.gz VRGCAFQXPPUHMK-IRXDYDNUSA-N -1 0 338.407 3.656 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)c1cc2cc(F)ccc2o1 ZINC000831793766 603955833 /nfs/dbraw/zinc/95/58/33/603955833.db2.gz REMKDVGELQKGSX-UHFFFAOYSA-N -1 0 340.310 3.865 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)c1ccc(F)cc1Cl ZINC000831797161 603955966 /nfs/dbraw/zinc/95/59/66/603955966.db2.gz DGWFLOAROWEIDP-UHFFFAOYSA-N -1 0 334.734 3.772 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)N(C1CC1)C1CCCC1 ZINC000832069425 603977891 /nfs/dbraw/zinc/97/78/91/603977891.db2.gz LCROPBRHFMGTIZ-UHFFFAOYSA-N -1 0 329.400 3.666 20 0 EHADRM CO[C@H](C)c1nc(CNc2cccc3c2CCN3C(=O)[O-])cs1 ZINC000828836511 604009464 /nfs/dbraw/zinc/00/94/64/604009464.db2.gz PPFUYWVDVVMCEL-SNVBAGLBSA-N -1 0 333.413 3.503 20 0 EHADRM C[C@@H](CC(=O)Nc1cc2c(cc1NC(=O)[O-])OCO2)c1ccccc1 ZINC000824687565 604010822 /nfs/dbraw/zinc/01/08/22/604010822.db2.gz VYIFSJBVRIXNIL-NSHDSACASA-N -1 0 342.351 3.638 20 0 EHADRM Cc1c(C(=O)Nc2cccc(CNC(=O)[O-])c2)cnc2ccccc12 ZINC000829853745 604055460 /nfs/dbraw/zinc/05/54/60/604055460.db2.gz AEMMUSJTRXGPAH-UHFFFAOYSA-N -1 0 335.363 3.563 20 0 EHADRM Cc1ccc(-c2cnc(CN3CCC([C@H](C)NC(=O)[O-])CC3)o2)cc1 ZINC000830148651 604055543 /nfs/dbraw/zinc/05/55/43/604055543.db2.gz FIBYWQGMCQYTEN-AWEZNQCLSA-N -1 0 343.427 3.518 20 0 EHADRM CCc1cccc(C)c1NC(=O)N(C)CC[C@H](NC(=O)[O-])C(C)C ZINC000827596743 604119212 /nfs/dbraw/zinc/11/92/12/604119212.db2.gz YTJITZKHDKSHNN-HNNXBMFYSA-N -1 0 335.448 3.703 20 0 EHADRM CCC(CC)N(C(=O)Nc1ccc(NC(=O)[O-])c(OC)c1)C1CC1 ZINC000826572295 604127371 /nfs/dbraw/zinc/12/73/71/604127371.db2.gz UMENMYLOHZIDAS-UHFFFAOYSA-N -1 0 335.404 3.970 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N1CCC[C@@H]2CCC[C@H]21)C(=O)[O-] ZINC000827187222 604137857 /nfs/dbraw/zinc/13/78/57/604137857.db2.gz UDYYVHJJEKDOTI-WMLDXEAASA-N -1 0 345.443 3.983 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N2C[C@H]3CCCC[C@@H]3C2)cc1 ZINC000825423749 604149654 /nfs/dbraw/zinc/14/96/54/604149654.db2.gz UIOLKQOUUBFABF-NWANDNLSSA-N -1 0 331.416 3.669 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000825423748 604149807 /nfs/dbraw/zinc/14/98/07/604149807.db2.gz UIOLKQOUUBFABF-AEGPPILISA-N -1 0 331.416 3.669 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)Oc2ccc(-c3cscn3)cc2)C1 ZINC000832332597 604212918 /nfs/dbraw/zinc/21/29/18/604212918.db2.gz NRLDMGFCFYLVOG-CHWSQXEVSA-N -1 0 346.408 3.542 20 0 EHADRM Cc1ccc(C(=O)Oc2c(F)c(F)cc(F)c2F)cc1NC(=O)[O-] ZINC000830245574 604220229 /nfs/dbraw/zinc/22/02/29/604220229.db2.gz OGXLUJJOXKIEAP-UHFFFAOYSA-N -1 0 343.232 3.861 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2ccc(-c3ccco3)s2)CC1 ZINC000833224264 604265982 /nfs/dbraw/zinc/26/59/82/604265982.db2.gz MFJOIRHIXXLSOG-UHFFFAOYSA-N -1 0 333.409 3.725 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(Cl)c3cccnc23)cc1F ZINC000833159912 604274582 /nfs/dbraw/zinc/27/45/82/604274582.db2.gz YVOMACOJRRDRSS-UHFFFAOYSA-N -1 0 344.729 3.978 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1cccc(OC2CCCC2)c1 ZINC000832847020 604276462 /nfs/dbraw/zinc/27/64/62/604276462.db2.gz DJUZYNMZDPSBBD-UHFFFAOYSA-N -1 0 342.395 3.903 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(CNC(=S)Nc2ccccc2)cc1 ZINC000825398263 604284789 /nfs/dbraw/zinc/28/47/89/604284789.db2.gz UZGXBBNCCZWXFS-LBPRGKRZSA-N -1 0 329.425 3.502 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@@H](C)c1oc2ccccc2c1C ZINC000832844490 604286672 /nfs/dbraw/zinc/28/66/72/604286672.db2.gz DXCYRGMOZBRKPO-LBPRGKRZSA-N -1 0 340.379 3.875 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000832844882 604293321 /nfs/dbraw/zinc/29/33/21/604293321.db2.gz PFTWXWKILHFGGW-MRVPVSSYSA-N -1 0 338.766 3.613 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@H](C)CC(C)(C)c1ccccc1 ZINC000832845038 604295270 /nfs/dbraw/zinc/29/52/70/604295270.db2.gz SEWWSYVYXBDMMX-GFCCVEGCSA-N -1 0 342.439 3.816 20 0 EHADRM O=C([O-])Nc1ccc(C(F)(F)F)cc1NC(=O)c1cncc(F)c1 ZINC000832838603 604301438 /nfs/dbraw/zinc/30/14/38/604301438.db2.gz KKWGZQCPIVHBOS-UHFFFAOYSA-N -1 0 343.236 3.582 20 0 EHADRM Cc1cc(NC(=O)c2cncc(-c3cccc(C)c3)c2)c(C(=O)[O-])[nH]1 ZINC000832961380 604309725 /nfs/dbraw/zinc/30/97/25/604309725.db2.gz YHHCULSXLDTLOQ-UHFFFAOYSA-N -1 0 335.363 3.644 20 0 EHADRM Cc1c2nc(NC(=O)c3ccc(C(=O)[O-])c(F)c3)sc2ccc1F ZINC000832854229 604313382 /nfs/dbraw/zinc/31/33/82/604313382.db2.gz BTNHLQYZXWFYQL-UHFFFAOYSA-N -1 0 348.330 3.833 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000738164222 604317813 /nfs/dbraw/zinc/31/78/13/604317813.db2.gz UXMBFMGOEZCMFF-QMMMGPOBSA-N -1 0 338.766 3.613 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)C[C@@H](C)[C@@H]2CCCN(C(=O)[O-])C2)s1 ZINC000830251312 604318079 /nfs/dbraw/zinc/31/80/79/604318079.db2.gz OHICKMXDXIWVKR-KWCYVHTRSA-N -1 0 338.473 3.650 20 0 EHADRM Cc1cccc(C)c1CNC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000832964479 604332786 /nfs/dbraw/zinc/33/27/86/604332786.db2.gz KSBKIYJXTZHVCZ-UHFFFAOYSA-N -1 0 331.347 3.854 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)N[C@@](C)(CNC(=O)[O-])C1CC1 ZINC000830472704 604338738 /nfs/dbraw/zinc/33/87/38/604338738.db2.gz SEICCAMBKBPSAN-SFHVURJKSA-N -1 0 333.432 3.676 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N[C@H]1CCCC(F)(F)C1)C(=O)[O-] ZINC000630296230 604348594 /nfs/dbraw/zinc/34/85/94/604348594.db2.gz ZVGRQBKOPOQLJY-MNOVXSKESA-N -1 0 343.395 3.560 20 0 EHADRM C[C@H](CC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824566245 604355845 /nfs/dbraw/zinc/35/58/45/604355845.db2.gz XTSLZBWNRIQKFG-UHDSXZAQSA-N -1 0 336.476 3.582 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)c1ccc(F)cc1C(F)(F)F ZINC000821552665 604372946 /nfs/dbraw/zinc/37/29/46/604372946.db2.gz DLZXZZHUGVRQES-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1ccc(-c2ccco2)s1 ZINC000833324453 604378650 /nfs/dbraw/zinc/37/86/50/604378650.db2.gz GJDYSMLAMFSBHI-UHFFFAOYSA-N -1 0 339.372 3.909 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)/C=C/c1cccc(F)c1)c1ccccc1 ZINC000826089018 604383979 /nfs/dbraw/zinc/38/39/79/604383979.db2.gz GTAIDWQXDYEIEA-DXRVJIQQSA-N -1 0 341.382 3.807 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000826103072 604385440 /nfs/dbraw/zinc/38/54/40/604385440.db2.gz MQCVUJKGWLLIAF-HNNXBMFYSA-N -1 0 333.334 3.547 20 0 EHADRM Cc1cc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])ccc1F ZINC000832863593 604386036 /nfs/dbraw/zinc/38/60/36/604386036.db2.gz RWPNFCSKYOZEAT-MRXNPFEDSA-N -1 0 329.371 3.716 20 0 EHADRM CCc1cc(C(=O)N(c2ccccc2)[C@H](CC)C(=O)[O-])oc1CC ZINC000830213958 604389962 /nfs/dbraw/zinc/38/99/62/604389962.db2.gz RNRVVDGUHHMTTA-OAHLLOKOSA-N -1 0 329.396 3.914 20 0 EHADRM CCCCC[C@H](NC(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000829333924 604391554 /nfs/dbraw/zinc/39/15/54/604391554.db2.gz VDBFTOFDGWSBFH-LBPRGKRZSA-N -1 0 335.297 3.608 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1c(F)cccc1F)c1ccccc1 ZINC000826103126 604392215 /nfs/dbraw/zinc/39/22/15/604392215.db2.gz NKIZLPZJSMQLBS-HNNXBMFYSA-N -1 0 333.334 3.547 20 0 EHADRM CCCOc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000826935427 604410394 /nfs/dbraw/zinc/41/03/94/604410394.db2.gz OXKRXVITQPDSOZ-UHFFFAOYSA-N -1 0 346.358 3.634 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccnn1C1CCCC1)c1cccc(Cl)c1 ZINC000833349422 604412172 /nfs/dbraw/zinc/41/21/72/604412172.db2.gz DGTAMRQCFMJXLX-OAHLLOKOSA-N -1 0 348.786 3.634 20 0 EHADRM C[C@@H](CN(C)C(=O)[O-])c1noc([C@H](C)OC2CCCCCC2)n1 ZINC000824901934 604423672 /nfs/dbraw/zinc/42/36/72/604423672.db2.gz JLSWIWQQXKSGMW-RYUDHWBXSA-N -1 0 325.409 3.583 20 0 EHADRM COCCC1(c2nc(-c3cccc(NC(=O)[O-])c3)no2)CCCC1 ZINC000828945822 604425050 /nfs/dbraw/zinc/42/50/50/604425050.db2.gz VNIIZURDBWXMMB-UHFFFAOYSA-N -1 0 331.372 3.675 20 0 EHADRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(C2CCCCC2)cc1 ZINC000827005349 604435495 /nfs/dbraw/zinc/43/54/95/604435495.db2.gz CUJFBTCZRALHKF-SFHVURJKSA-N -1 0 347.455 3.685 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)N(C)[C@@H](C)c2ccco2)cc1 ZINC000825377892 604438788 /nfs/dbraw/zinc/43/87/88/604438788.db2.gz MVYKTABLOGFZIF-OLZOCXBDSA-N -1 0 345.399 3.511 20 0 EHADRM CC[C@@H](C)N1C(=O)N[C@H](c2cscc2Cl)C(C(=O)[O-])=C1C ZINC000828753570 604462895 /nfs/dbraw/zinc/46/28/95/604462895.db2.gz RJNAIEDESDHJFA-JMCQJSRRSA-N -1 0 328.821 3.625 20 0 EHADRM O=C([O-])c1csc(NC(=O)N[C@H]2CCSc3ccccc32)c1 ZINC000833151142 604489266 /nfs/dbraw/zinc/48/92/66/604489266.db2.gz NLWNOQCRNMQEBM-NSHDSACASA-N -1 0 334.422 3.805 20 0 EHADRM Cc1ccccc1CN(C(=O)Nc1cc(C(=O)[O-])cs1)C1CC1 ZINC000832979471 604507583 /nfs/dbraw/zinc/50/75/83/604507583.db2.gz NOYKPRPVROWAPJ-UHFFFAOYSA-N -1 0 330.409 3.951 20 0 EHADRM O=C([O-])c1csc(NC(=O)N2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000833341999 604514847 /nfs/dbraw/zinc/51/48/47/604514847.db2.gz CEBPNPUQVGMQFU-NSHDSACASA-N -1 0 334.372 3.607 20 0 EHADRM Cc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccccc2)c(Br)c1 ZINC000833748173 604517290 /nfs/dbraw/zinc/51/72/90/604517290.db2.gz VXQVWBMFEGSPNN-AWEZNQCLSA-N -1 0 349.180 3.740 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)N1CCC[C@@H]1C1CCC1)c1ccccc1 ZINC000826094981 604518647 /nfs/dbraw/zinc/51/86/47/604518647.db2.gz GJKMATLSXNAQOE-IAGOWNOFSA-N -1 0 344.455 3.813 20 0 EHADRM CN(Cc1ccsc1)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000830865057 604518687 /nfs/dbraw/zinc/51/86/87/604518687.db2.gz JBSWVJZYRFUXNT-HNNXBMFYSA-N -1 0 346.452 3.742 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@@H]1CC(=O)[O-])c1cccc(Cl)c1Cl ZINC000827652442 604519598 /nfs/dbraw/zinc/51/95/98/604519598.db2.gz FYQHAMDPKNCUBE-VHSXEESVSA-N -1 0 345.226 3.703 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@H]1CC(=O)[O-])c1cccc(Cl)c1Cl ZINC000827652444 604519768 /nfs/dbraw/zinc/51/97/68/604519768.db2.gz FYQHAMDPKNCUBE-ZJUUUORDSA-N -1 0 345.226 3.703 20 0 EHADRM CC[C@@H](OC(=O)Cc1cccc(C(=O)[O-])c1)c1ccc(OC)cc1 ZINC000833647202 604520639 /nfs/dbraw/zinc/52/06/39/604520639.db2.gz YNYCOUPXQHLMEU-QGZVFWFLSA-N -1 0 328.364 3.630 20 0 EHADRM CC[C@@H](NC(=O)Nc1cc(C(=O)[O-])cs1)c1cc(F)ccc1F ZINC000828951544 604522567 /nfs/dbraw/zinc/52/25/67/604522567.db2.gz NYBFGQWBGLVOEQ-GFCCVEGCSA-N -1 0 340.351 3.997 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)c2cccc(C)c2Cl)C(=O)[O-])cc1 ZINC000431522262 604526378 /nfs/dbraw/zinc/52/63/78/604526378.db2.gz UDDKOMDJWJDTDN-OAHLLOKOSA-N -1 0 331.799 3.555 20 0 EHADRM CC[C@H](C)CN(CC)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000828747654 604529940 /nfs/dbraw/zinc/52/99/40/604529940.db2.gz RVGGPKDYBUTYOQ-HOCLYGCPSA-N -1 0 334.460 3.916 20 0 EHADRM CC(C)[C@H]1CCN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000826735886 604531701 /nfs/dbraw/zinc/53/17/01/604531701.db2.gz JOYDDIUDIWAKAW-HOTGVXAUSA-N -1 0 332.444 3.526 20 0 EHADRM Cc1cc([C@H](C)OC(=O)CCC(=O)c2ccccc2)oc1C(=O)[O-] ZINC000832877945 604545084 /nfs/dbraw/zinc/54/50/84/604545084.db2.gz VSQAWRSJVZCLCA-LBPRGKRZSA-N -1 0 330.336 3.554 20 0 EHADRM Cc1cc([C@H](C)OC(=O)COc2ccc(C)c(C)c2)oc1C(=O)[O-] ZINC000832950882 604545093 /nfs/dbraw/zinc/54/50/93/604545093.db2.gz IXEWTWQQQPJLTP-ZDUSSCGKSA-N -1 0 332.352 3.586 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)CCOc2cccc(C)c2)oc1C(=O)[O-] ZINC000832972362 604545123 /nfs/dbraw/zinc/54/51/23/604545123.db2.gz ZWFIRWJBIWAHRW-CYBMUJFWSA-N -1 0 332.352 3.668 20 0 EHADRM CCC(CC)n1ccc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)n1 ZINC000828869663 604551687 /nfs/dbraw/zinc/55/16/87/604551687.db2.gz DJLJJTXXCPIXRR-INIZCTEOSA-N -1 0 343.427 3.580 20 0 EHADRM CC(C)Oc1cccc(CN(C)C(=O)Nc2ccsc2C(=O)[O-])c1 ZINC000833507397 604552250 /nfs/dbraw/zinc/55/22/50/604552250.db2.gz KNUSJYWCHQHUNJ-UHFFFAOYSA-N -1 0 348.424 3.897 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2ccc(Cl)cc2F)oc1C(=O)[O-] ZINC000832873939 604552401 /nfs/dbraw/zinc/55/24/01/604552401.db2.gz GLWMOMGPAZACMJ-MRVPVSSYSA-N -1 0 326.707 3.997 20 0 EHADRM CC(C)Oc1cccc(CN(C)C(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000833507349 604552391 /nfs/dbraw/zinc/55/23/91/604552391.db2.gz GSJVGOYLRIGHPS-UHFFFAOYSA-N -1 0 342.395 3.836 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCCc3c(F)ccc(F)c32)cc1 ZINC000832828852 604557567 /nfs/dbraw/zinc/55/75/67/604557567.db2.gz NIZGCHMAAXBUSH-UHFFFAOYSA-N -1 0 332.306 3.648 20 0 EHADRM CCc1c(C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)cnn1C(C)(C)C ZINC000830209341 604567948 /nfs/dbraw/zinc/56/79/48/604567948.db2.gz JRNPFGKTSBFORL-NSHDSACASA-N -1 0 348.399 3.718 20 0 EHADRM Cc1nc(CC(C)C)c(NC(=O)c2ccc(NC(=O)[O-])cc2)s1 ZINC000830741209 604573083 /nfs/dbraw/zinc/57/30/83/604573083.db2.gz AWWOIXKUVNZKJG-UHFFFAOYSA-N -1 0 333.413 3.992 20 0 EHADRM CCc1oc(C(=O)Nc2cccc(SCCC(=O)[O-])c2)cc1C ZINC000833677673 604575418 /nfs/dbraw/zinc/57/54/18/604575418.db2.gz BKJSUPICFVQDGI-UHFFFAOYSA-N -1 0 333.409 3.970 20 0 EHADRM COc1c(F)cc(F)cc1NC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000829071925 604576562 /nfs/dbraw/zinc/57/65/62/604576562.db2.gz KAYKWAIXSSMJRW-UHFFFAOYSA-N -1 0 336.294 3.624 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)C1(Sc2ccccc2)CCCC1 ZINC000263007030 604580394 /nfs/dbraw/zinc/58/03/94/604580394.db2.gz RSUCFKKBNULXDX-CQSZACIVSA-N -1 0 333.453 3.557 20 0 EHADRM COc1cccc([C@@H]2C[C@@H]2C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)c1 ZINC000832539332 604583619 /nfs/dbraw/zinc/58/36/19/604583619.db2.gz BLCBZJUVXNXQHZ-UGFHNGPFSA-N -1 0 344.363 3.703 20 0 EHADRM COc1cccc([C@@H]2C[C@H]2C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)c1 ZINC000832539331 604583644 /nfs/dbraw/zinc/58/36/44/604583644.db2.gz BLCBZJUVXNXQHZ-TUKIKUTGSA-N -1 0 344.363 3.703 20 0 EHADRM COc1cccc([C@@H]2C[C@@H]2C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)c1 ZINC000832539330 604583710 /nfs/dbraw/zinc/58/37/10/604583710.db2.gz BLCBZJUVXNXQHZ-CQDKDKBSSA-N -1 0 344.363 3.703 20 0 EHADRM CC(C)CN(C(=O)Nc1cccc(SCCC(=O)[O-])c1)C1CC1 ZINC000833485162 604597810 /nfs/dbraw/zinc/59/78/10/604597810.db2.gz BVPRUSUCCLJKRO-UHFFFAOYSA-N -1 0 336.457 3.906 20 0 EHADRM C/C(=C\COC(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1)C(=O)[O-] ZINC000825775510 604598875 /nfs/dbraw/zinc/59/88/75/604598875.db2.gz UDDRMKPQQONBOE-DHZHZOJOSA-N -1 0 349.383 3.530 20 0 EHADRM CC[C@@H](C)[C@@H](C)N(C(=O)NCCc1cccc(C(=O)[O-])c1)C1CC1 ZINC000833637369 604601327 /nfs/dbraw/zinc/60/13/27/604601327.db2.gz DIBFSBKDYKOMSI-ZIAGYGMSSA-N -1 0 332.444 3.536 20 0 EHADRM CCCCn1ncc(C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)c1C ZINC000829446550 604608253 /nfs/dbraw/zinc/60/82/53/604608253.db2.gz BTORGWPRHNUKIT-LBPRGKRZSA-N -1 0 334.372 3.509 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CC=C(c2ccccc2Cl)CC1 ZINC000833450919 604615296 /nfs/dbraw/zinc/61/52/96/604615296.db2.gz CXSOEJZAPHEFFC-UHFFFAOYSA-N -1 0 335.831 3.847 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)Nc1ccccc1N1CCCCCC1 ZINC000833214210 604616431 /nfs/dbraw/zinc/61/64/31/604616431.db2.gz RAXFSYAJYWPMDG-OAHLLOKOSA-N -1 0 345.443 3.538 20 0 EHADRM C/C(=C\c1ccccc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000761395163 604616805 /nfs/dbraw/zinc/61/68/05/604616805.db2.gz ZKNUZJHNAJPPAR-MLFXKNMZSA-N -1 0 343.810 3.555 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)Nc1ccc(-c2ccccc2)cc1F ZINC000833209255 604619161 /nfs/dbraw/zinc/61/91/61/604619161.db2.gz DBCRTIJKUKNYQE-HNNXBMFYSA-N -1 0 342.370 3.964 20 0 EHADRM C[C@H](CC(=O)N(C)[C@@H](C)c1ccccc1)C1CCN(C(=O)[O-])CC1 ZINC000824552486 604662214 /nfs/dbraw/zinc/66/22/14/604662214.db2.gz QXBQVEAXRDPJEB-CABCVRRESA-N -1 0 332.444 3.622 20 0 EHADRM Cc1nc(NC(=O)c2ccc(F)cc2C(F)(F)F)sc1C(=O)[O-] ZINC000833002304 604664408 /nfs/dbraw/zinc/66/44/08/604664408.db2.gz UJWYJTXHYPLFJF-UHFFFAOYSA-N -1 0 348.277 3.560 20 0 EHADRM CN(Cc1cc(F)cc(F)c1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833693959 604675118 /nfs/dbraw/zinc/67/51/18/604675118.db2.gz CGNUEUVOQPMESE-OAHLLOKOSA-N -1 0 345.267 3.640 20 0 EHADRM Cc1ccc(F)c(CN(C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c1 ZINC000833749352 604675705 /nfs/dbraw/zinc/67/57/05/604675705.db2.gz GZVFTJSVIUFUDY-MRXNPFEDSA-N -1 0 341.304 3.809 20 0 EHADRM C[C@@H](c1ccccc1F)N(C)C(=O)CCc1ccccc1C(=O)[O-] ZINC000262170178 604680362 /nfs/dbraw/zinc/68/03/62/604680362.db2.gz LIPDCWAAMXHERU-ZDUSSCGKSA-N -1 0 329.371 3.676 20 0 EHADRM CC(C)CN(CCc1ccccc1)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000833486235 604685259 /nfs/dbraw/zinc/68/52/59/604685259.db2.gz DRIGMINECYFNCM-UHFFFAOYSA-N -1 0 339.435 3.655 20 0 EHADRM CCc1cc(C)c(C(=O)NCc2c3ccccc3sc2C(=O)[O-])o1 ZINC000678982892 604685738 /nfs/dbraw/zinc/68/57/38/604685738.db2.gz UIINDRFZWIZSKU-UHFFFAOYSA-N -1 0 343.404 3.993 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)oc1C ZINC000237795726 604687780 /nfs/dbraw/zinc/68/77/80/604687780.db2.gz MMSVYRXHFZDHNV-UHFFFAOYSA-N -1 0 333.409 3.857 20 0 EHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000761977143 604704964 /nfs/dbraw/zinc/70/49/64/604704964.db2.gz GLSLLTOEAVRELX-ZRDIBKRKSA-N -1 0 345.782 3.845 20 0 EHADRM Cc1cc([C@@H](C)Sc2nccc(C(F)(F)F)n2)oc1C(=O)[O-] ZINC000832873689 604710356 /nfs/dbraw/zinc/71/03/56/604710356.db2.gz LFMYKOPHLXJLRF-SSDOTTSWSA-N -1 0 332.303 3.948 20 0 EHADRM Cc1cc([C@H](C)Sc2nnc(C3CC3)n2C2CC2)oc1C(=O)[O-] ZINC000832876338 604711177 /nfs/dbraw/zinc/71/11/77/604711177.db2.gz XJLYBZIKAPTBKL-VIFPVBQESA-N -1 0 333.413 3.943 20 0 EHADRM Cc1nc(-c2ccccc2)sc1C(=O)N(C)C1(C(=O)[O-])CCCC1 ZINC000832992608 604711875 /nfs/dbraw/zinc/71/18/75/604711875.db2.gz OPKNYHYDQOFSFG-UHFFFAOYSA-N -1 0 344.436 3.588 20 0 EHADRM CC(C)c1ccc(C(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])cn1 ZINC000827113046 604711989 /nfs/dbraw/zinc/71/19/89/604711989.db2.gz UQABKSGWZOTLKZ-AEFFLSMTSA-N -1 0 344.455 3.701 20 0 EHADRM O=C([O-])COc1cccc(C(=O)N2CCC[C@@H]2CCC2CCCC2)c1 ZINC000833260070 604714634 /nfs/dbraw/zinc/71/46/34/604714634.db2.gz XWDJLBWYPOFWEW-QGZVFWFLSA-N -1 0 345.439 3.725 20 0 EHADRM C[C@H](c1cccs1)N(C)C(=O)C[C@H](C)C1CCN(C(=O)[O-])CC1 ZINC000824551517 604720232 /nfs/dbraw/zinc/72/02/32/604720232.db2.gz LBTKJPFOJHOESG-QWHCGFSZSA-N -1 0 338.473 3.684 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)C1CCC(C(=O)[O-])CC1 ZINC000262688931 604742255 /nfs/dbraw/zinc/74/22/55/604742255.db2.gz DKKKTPIJQURIMM-IWMBGFJWSA-N -1 0 333.403 3.551 20 0 EHADRM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)C1CCC(C(=O)[O-])CC1 ZINC000262688936 604742738 /nfs/dbraw/zinc/74/27/38/604742738.db2.gz DKKKTPIJQURIMM-MRFVTOPCSA-N -1 0 333.403 3.551 20 0 EHADRM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1ccc(C(=O)[O-])s1 ZINC000262784485 604744335 /nfs/dbraw/zinc/74/43/35/604744335.db2.gz MOHFNLHYAMIFEN-UWVGGRQHSA-N -1 0 333.384 3.733 20 0 EHADRM CC(C)C[C@H](C)N(C)C(=O)CSCc1ccc(C(=O)[O-])cc1F ZINC000833474668 604754481 /nfs/dbraw/zinc/75/44/81/604754481.db2.gz STENQYSRFWFREG-LBPRGKRZSA-N -1 0 341.448 3.650 20 0 EHADRM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC000263304165 604762050 /nfs/dbraw/zinc/76/20/50/604762050.db2.gz VJBIZLDYELSLMN-FZKQIMNGSA-N -1 0 341.382 3.676 20 0 EHADRM COc1ccccc1[C@H](N[C@H](C(=O)[O-])c1ccccc1)c1ccco1 ZINC000832594963 604770941 /nfs/dbraw/zinc/77/09/41/604770941.db2.gz JBHYQBLHVYTMEL-OALUTQOASA-N -1 0 337.375 3.793 20 0 EHADRM O=C([O-])c1occc1CNc1ccccc1OC[C@@H]1CCCCO1 ZINC000833785008 604778348 /nfs/dbraw/zinc/77/83/48/604778348.db2.gz AMVUDBIOFOHSKU-AWEZNQCLSA-N -1 0 331.368 3.538 20 0 EHADRM CC(C)C[C@@H](NC(=O)Cc1ccccc1C(=O)[O-])c1ccccc1 ZINC000261734191 604780751 /nfs/dbraw/zinc/78/07/51/604780751.db2.gz SBSBBMCOIWUNSG-GOSISDBHSA-N -1 0 325.408 3.831 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000679097799 604815336 /nfs/dbraw/zinc/81/53/36/604815336.db2.gz NNIRHLBRJXIQPL-AWEZNQCLSA-N -1 0 337.419 3.636 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCC2(Sc3ccccc3)CC2)cc1F ZINC000833139034 604822325 /nfs/dbraw/zinc/82/23/25/604822325.db2.gz IJVJUWLKTOMHLP-UHFFFAOYSA-N -1 0 345.395 3.579 20 0 EHADRM CC[C@](NC(=O)c1ccc2nc(C)ccc2c1)(C(=O)[O-])c1ccccc1 ZINC000828976582 604824898 /nfs/dbraw/zinc/82/48/98/604824898.db2.gz QGFYCMJSJZNIJU-OAQYLSRUSA-N -1 0 348.402 3.663 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2ccc3nc(C)ccc3c2)c1 ZINC000832179164 604824918 /nfs/dbraw/zinc/82/49/18/604824918.db2.gz RTSKELAEPRULDD-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM C[C@H](CSCc1ccccc1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818013709 604827314 /nfs/dbraw/zinc/82/73/14/604827314.db2.gz KXRZDQNWEHRAMF-CQSZACIVSA-N -1 0 343.448 3.822 20 0 EHADRM Cc1ccc2cc(C(=O)Nc3ccc(CNC(=O)[O-])cc3)ccc2n1 ZINC000832962263 604827364 /nfs/dbraw/zinc/82/73/64/604827364.db2.gz ZUABOINWPJXEIQ-UHFFFAOYSA-N -1 0 335.363 3.563 20 0 EHADRM Cc1cc(C)cc(CCC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000190920913 604836517 /nfs/dbraw/zinc/83/65/17/604836517.db2.gz UJSNKRFZGNLWFR-UHFFFAOYSA-N -1 0 325.408 3.593 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000833596580 604836956 /nfs/dbraw/zinc/83/69/56/604836956.db2.gz FMCNAXUTFWGKHR-VCBZYWHSSA-N -1 0 337.419 3.720 20 0 EHADRM Cc1cc(NC(=O)N2CC=C(c3cccc(C)c3)CC2)c(C(=O)[O-])[nH]1 ZINC000833752435 604845078 /nfs/dbraw/zinc/84/50/78/604845078.db2.gz JQIMOTLHFLHZKM-UHFFFAOYSA-N -1 0 339.395 3.651 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)/C=C/c2cccs2)cc1Cl ZINC000181881467 604848157 /nfs/dbraw/zinc/84/81/57/604848157.db2.gz VGLMPDBKLZWGFL-GQCTYLIASA-N -1 0 337.784 3.517 20 0 EHADRM C[C@@H](c1ncc(C(C)(C)C)o1)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000584178572 604848917 /nfs/dbraw/zinc/84/89/17/604848917.db2.gz XQOFRABAAAJDJF-LBPRGKRZSA-N -1 0 328.412 3.790 20 0 EHADRM COc1ccc(NC(=O)[C@@H]2CCCc3sccc32)c(C(=O)[O-])c1 ZINC000336874981 604858632 /nfs/dbraw/zinc/85/86/32/604858632.db2.gz ZOBSZPPWRHCSRY-GFCCVEGCSA-N -1 0 331.393 3.514 20 0 EHADRM Cc1ccc(Cl)c(NC(=O)N2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)c1 ZINC000830324844 604864229 /nfs/dbraw/zinc/86/42/29/604864229.db2.gz VNOUFOHULUURSR-NWDGAFQWSA-N -1 0 339.823 3.548 20 0 EHADRM CC(C)c1ccc([C@H]2CCCN2C(=O)CCSCC(=O)[O-])cc1 ZINC000833510073 604864289 /nfs/dbraw/zinc/86/42/89/604864289.db2.gz JQODCYPAQMVRDO-MRXNPFEDSA-N -1 0 335.469 3.681 20 0 EHADRM C[C@@H](CCSc1ccccc1)OC(=O)c1cnccc1C(=O)[O-] ZINC000827421992 604867031 /nfs/dbraw/zinc/86/70/31/604867031.db2.gz HCXMWHRNKHLCDB-LBPRGKRZSA-N -1 0 331.393 3.508 20 0 EHADRM CC(C)Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000013224949 604881662 /nfs/dbraw/zinc/88/16/62/604881662.db2.gz LTKMRMYNVANHDQ-GOSISDBHSA-N -1 0 325.408 3.831 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cc(F)c(F)cc2Cl)C1 ZINC000322210013 604885446 /nfs/dbraw/zinc/88/54/46/604885446.db2.gz VLOFAIPKYNAMJG-VIFPVBQESA-N -1 0 345.773 3.581 20 0 EHADRM CCc1ccc(CCC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000325423909 604889625 /nfs/dbraw/zinc/88/96/25/604889625.db2.gz IWRJTMCAHMAGLV-KRWDZBQOSA-N -1 0 331.456 3.531 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2ccccc2OC2CCC2)C1 ZINC000679101311 604890656 /nfs/dbraw/zinc/89/06/56/604890656.db2.gz JPQBILOUZNXVDL-CQSZACIVSA-N -1 0 345.439 3.581 20 0 EHADRM C[C@]1(NC(=O)c2cnc(-c3ccccc3)s2)CCCC[C@H]1C(=O)[O-] ZINC000262868661 604891438 /nfs/dbraw/zinc/89/14/38/604891438.db2.gz UTWHELUHIOXOCA-UGSOOPFHSA-N -1 0 344.436 3.573 20 0 EHADRM CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000237115567 604893705 /nfs/dbraw/zinc/89/37/05/604893705.db2.gz RALMCWZRPLKKTH-SFHVURJKSA-N -1 0 339.391 3.761 20 0 EHADRM C/C(=C/C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccc(F)cc1 ZINC000777402195 604894879 /nfs/dbraw/zinc/89/48/79/604894879.db2.gz XWVUXHNIILJOBU-HVCHUGMYSA-N -1 0 333.403 3.578 20 0 EHADRM CCC[C@H](C)[C@H]1CCCN1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000829207989 604945070 /nfs/dbraw/zinc/94/50/70/604945070.db2.gz HERGDLVFARIDAP-XJKSGUPXSA-N -1 0 334.416 3.583 20 0 EHADRM CC1(C)CN(C(=O)c2ccc(C(=O)[O-])c(F)c2)[C@@H]1c1ccccc1 ZINC000828074803 604948314 /nfs/dbraw/zinc/94/83/14/604948314.db2.gz RINDYFBIRPEDFH-MRXNPFEDSA-N -1 0 327.355 3.747 20 0 EHADRM Cn1cc(NC(=O)N2CCC[C@@H]2CCC2CCCC2)cc1C(=O)[O-] ZINC000833049980 604961960 /nfs/dbraw/zinc/96/19/60/604961960.db2.gz YUNIFUODHZJYKY-OAHLLOKOSA-N -1 0 333.432 3.690 20 0 EHADRM CC(C)Cc1ccc([C@@H](C)C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000833492264 604971654 /nfs/dbraw/zinc/97/16/54/604971654.db2.gz DNQPCMBPARAAPG-QAPCUYQASA-N -1 0 343.467 3.702 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)N(C)c2ncc(C(=O)[O-])s2)cc1 ZINC000833491395 604975169 /nfs/dbraw/zinc/97/51/69/604975169.db2.gz UOUHYIQBXSRBGD-LBPRGKRZSA-N -1 0 346.452 3.806 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2nc(CCC(=O)[O-])cs2)c(C)c1 ZINC000832921676 604980533 /nfs/dbraw/zinc/98/05/33/604980533.db2.gz UQUYRGIWRJPXJW-GFCCVEGCSA-N -1 0 347.440 3.660 20 0 EHADRM CC(C)(C)OC(=O)NC[C@H](NC(=O)[O-])c1ccc2ccccc2c1 ZINC000833437605 604995590 /nfs/dbraw/zinc/99/55/90/604995590.db2.gz CSRFUYQXRBVTNS-HNNXBMFYSA-N -1 0 330.384 3.673 20 0 EHADRM CCc1nc(NC(=O)C2(c3cccc(F)c3)CCC2)sc1C(=O)[O-] ZINC000833674351 604997946 /nfs/dbraw/zinc/99/79/46/604997946.db2.gz PPNYVHIFWZTZRV-UHFFFAOYSA-N -1 0 348.399 3.603 20 0 EHADRM C[C@H](C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-])c1cccc(Cl)c1 ZINC000833402749 605026079 /nfs/dbraw/zinc/02/60/79/605026079.db2.gz VHQSOKWYXKZSTG-KBPBESRZSA-N -1 0 345.826 3.945 20 0 EHADRM CC(C)n1ccnc1CNc1ccc(Br)c(C(=O)[O-])c1 ZINC000833513789 605039457 /nfs/dbraw/zinc/03/94/57/605039457.db2.gz RSROILPLZVLIEP-UHFFFAOYSA-N -1 0 338.205 3.537 20 0 EHADRM C[C@@H](C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21)c1c(F)cccc1F ZINC000669433974 605047083 /nfs/dbraw/zinc/04/70/83/605047083.db2.gz CLKFHHONPTZZOQ-DGCLKSJQSA-N -1 0 345.345 3.673 20 0 EHADRM C[C@@]1(CNC(=O)c2ccc(NC(=O)[O-])cc2)CCCc2ccccc21 ZINC000833563310 605065434 /nfs/dbraw/zinc/06/54/34/605065434.db2.gz HHELZVSYYSFLSZ-FQEVSTJZSA-N -1 0 338.407 3.801 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000190617123 605066152 /nfs/dbraw/zinc/06/61/52/605066152.db2.gz RTDXZLANSIVVQT-SFHVURJKSA-N -1 0 339.435 3.978 20 0 EHADRM CC1(C)CC[C@@H](C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC000833557707 605075762 /nfs/dbraw/zinc/07/57/62/605075762.db2.gz XBRYHCLQJCONJR-SNVBAGLBSA-N -1 0 327.327 3.751 20 0 EHADRM CN(C(=O)[O-])c1ccc(NCc2nc3cc(Cl)ccc3n2C)cc1 ZINC000833685846 605086114 /nfs/dbraw/zinc/08/61/14/605086114.db2.gz SFYVBSYOFPMKHQ-UHFFFAOYSA-N -1 0 344.802 3.953 20 0 EHADRM Cc1nc(C2CCCCC2)sc1C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000833755294 605092489 /nfs/dbraw/zinc/09/24/89/605092489.db2.gz IBTQHRLIQPKRGL-ZDUSSCGKSA-N -1 0 336.457 3.579 20 0 EHADRM CCC(CC)(CNC(=O)N1CCC[C@H]1c1cccc(C)c1)C(=O)[O-] ZINC000424411603 605098893 /nfs/dbraw/zinc/09/88/93/605098893.db2.gz LECCQGWRGJFKBG-INIZCTEOSA-N -1 0 332.444 3.733 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)c2ccc(OCC(=O)[O-])cc2)c2ccccc21 ZINC000659759039 605108193 /nfs/dbraw/zinc/10/81/93/605108193.db2.gz NEVAQZRDXDDBKI-ACJLOTCBSA-N -1 0 339.391 3.518 20 0 EHADRM C[C@H]1CN(C(=O)C2CCC(C(=O)[O-])CC2)CC[C@H]1c1ccccc1 ZINC000194423646 605113640 /nfs/dbraw/zinc/11/36/40/605113640.db2.gz KNWQPUFTWXDGSB-IWCVFHTOSA-N -1 0 329.440 3.530 20 0 EHADRM CCC(CC)n1nc(C(=O)Nc2ccc(F)cc2C(=O)[O-])cc1C ZINC000833641721 605136934 /nfs/dbraw/zinc/13/69/34/605136934.db2.gz NORZADBTFSTUJB-UHFFFAOYSA-N -1 0 333.363 3.642 20 0 EHADRM Cc1nc2ccccc2nc1CSCc1ccccc1CC(=O)[O-] ZINC000833756273 605141831 /nfs/dbraw/zinc/14/18/31/605141831.db2.gz JQFKDOOXLCHZQD-UHFFFAOYSA-N -1 0 338.432 3.999 20 0 EHADRM CC1(C)C[C@@H]1C(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000833556971 605159237 /nfs/dbraw/zinc/15/92/37/605159237.db2.gz BOTDHCQCMUVYCM-CYBMUJFWSA-N -1 0 331.393 3.598 20 0 EHADRM CC(C)(CNC(=O)Nc1cncc(C(=O)[O-])c1)c1ccccc1Cl ZINC000833459204 605178675 /nfs/dbraw/zinc/17/86/75/605178675.db2.gz KJSFTUWVPLNWJJ-UHFFFAOYSA-N -1 0 347.802 3.533 20 0 EHADRM O=C([O-])c1csc(NC(=O)C2(c3ccc(F)cc3F)CCC2)c1 ZINC000191384938 605217891 /nfs/dbraw/zinc/21/78/91/605217891.db2.gz LWLOJTMIHHCHLM-UHFFFAOYSA-N -1 0 337.347 3.785 20 0 EHADRM C/C(=C/C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-])c1cccc(F)c1 ZINC000833381573 605227105 /nfs/dbraw/zinc/22/71/05/605227105.db2.gz HKCUQPLGGJADHQ-SZGZABIGSA-N -1 0 341.382 3.731 20 0 EHADRM C[C@@H](CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-])c1ccccc1F ZINC000833512873 605227608 /nfs/dbraw/zinc/22/76/08/605227608.db2.gz BEVZWCRYAHPPAW-GJZGRUSLSA-N -1 0 343.398 3.821 20 0 EHADRM Cc1ccc(NC(=O)C(C)C)cc1NCc1ccc(NC(=O)[O-])nc1 ZINC000830358084 605237938 /nfs/dbraw/zinc/23/79/38/605237938.db2.gz JLYAEHHEKNHALB-UHFFFAOYSA-N -1 0 342.399 3.687 20 0 EHADRM O=C([O-])N1CCc2cccc(CNc3cccc(Cn4cccn4)c3)c21 ZINC000832087721 605240573 /nfs/dbraw/zinc/24/05/73/605240573.db2.gz ZDBHVGFPFXAWLS-UHFFFAOYSA-N -1 0 348.406 3.584 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000192955707 605247696 /nfs/dbraw/zinc/24/76/96/605247696.db2.gz KUAUVSHRPBJFSC-QAPCUYQASA-N -1 0 337.419 3.860 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000761622145 605249986 /nfs/dbraw/zinc/24/99/86/605249986.db2.gz XIUHXVUJGKCQKC-VQIMIIECSA-N -1 0 339.435 3.930 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000262742969 605251843 /nfs/dbraw/zinc/25/18/43/605251843.db2.gz HANSPBXOTWTAGH-LPHOPBHVSA-N -1 0 339.435 3.630 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NCC(C)(C)c1ccccc1Cl ZINC000190637288 605258932 /nfs/dbraw/zinc/25/89/32/605258932.db2.gz MGEGHKCOSLWQLC-UHFFFAOYSA-N -1 0 325.836 3.625 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000191680252 605273901 /nfs/dbraw/zinc/27/39/01/605273901.db2.gz PWMQNFOJDMNPHP-CYBMUJFWSA-N -1 0 339.819 3.561 20 0 EHADRM C[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000833514374 605308817 /nfs/dbraw/zinc/30/88/17/605308817.db2.gz RVIXTJCJOXXYFR-IINYFYTJSA-N -1 0 343.345 3.774 20 0 EHADRM C[C@@H](Cc1noc(CSc2ccc(Cl)cc2)n1)N(C)C(=O)[O-] ZINC000825048853 605318153 /nfs/dbraw/zinc/31/81/53/605318153.db2.gz XRCGHAPCPIHPMN-VIFPVBQESA-N -1 0 341.820 3.556 20 0 EHADRM C[C@@H](OC(=O)c1csc(Cc2ccc(NC(=O)[O-])cc2)n1)C1CC1 ZINC000833896190 605339640 /nfs/dbraw/zinc/33/96/40/605339640.db2.gz SBTKWQLWTNUUKO-SNVBAGLBSA-N -1 0 346.408 3.779 20 0 EHADRM COc1ccc(C)cc1CN[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833730702 605355266 /nfs/dbraw/zinc/35/52/66/605355266.db2.gz MUOZVBALCMYVKU-MRXNPFEDSA-N -1 0 337.778 3.712 20 0 EHADRM C[C@@H]1CCC[C@@H]1C(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000833608950 605366964 /nfs/dbraw/zinc/36/69/64/605366964.db2.gz OTDITJQHWHTVDN-ICCXJUOJSA-N -1 0 330.302 3.968 20 0 EHADRM CC(C)Oc1c(F)cc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1F ZINC000833505419 605376182 /nfs/dbraw/zinc/37/61/82/605376182.db2.gz KELNYZKPWYOWGI-GHMZBOCLSA-N -1 0 341.354 3.582 20 0 EHADRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)N[C@@H](c1ccccc1)C(C)(C)C ZINC000825816792 605376710 /nfs/dbraw/zinc/37/67/10/605376710.db2.gz LYAMUOZYHSHSLC-BMFZPTHFSA-N -1 0 347.459 3.604 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N(C)C[C@@H]1CC=CCC1)C(=O)[O-] ZINC000630297162 605395680 /nfs/dbraw/zinc/39/56/80/605395680.db2.gz MLLCTEZQTYISTM-ZIAGYGMSSA-N -1 0 333.453 3.680 20 0 EHADRM CC(C)(C)Sc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)ccn1 ZINC000833448166 605417630 /nfs/dbraw/zinc/41/76/30/605417630.db2.gz NXDHCDDNYPEBCV-UHFFFAOYSA-N -1 0 330.409 3.923 20 0 EHADRM O=C([O-])Nc1cccc(CN2CCc3c(ncn3-c3ccccc3)C2)c1 ZINC000834269782 605427988 /nfs/dbraw/zinc/42/79/88/605427988.db2.gz QRIDAEXILJSDJW-UHFFFAOYSA-N -1 0 348.406 3.521 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)O[C@H]1CCOc2c(Cl)cccc21 ZINC000833456725 605428461 /nfs/dbraw/zinc/42/84/61/605428461.db2.gz XJSAQSYBRSFSGX-LBPRGKRZSA-N -1 0 326.776 3.598 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=S)Nc1ccc2ccccc2c1 ZINC000825844224 605451580 /nfs/dbraw/zinc/45/15/80/605451580.db2.gz HZIJHHWAEZWNHR-WBMJQRKESA-N -1 0 343.452 3.657 20 0 EHADRM CC(C)(C)Sc1cc(C(=O)OCc2ccc(C(=O)[O-])o2)ccn1 ZINC000833448319 605458359 /nfs/dbraw/zinc/45/83/59/605458359.db2.gz ZURUQXJETDGLCX-UHFFFAOYSA-N -1 0 335.381 3.620 20 0 EHADRM O=C([O-])N1CCC[C@H]1CCC(=O)Nc1ccccc1CC(F)(F)F ZINC000833996326 605481775 /nfs/dbraw/zinc/48/17/75/605481775.db2.gz AELVTAPZAQXVOB-LBPRGKRZSA-N -1 0 344.333 3.653 20 0 EHADRM O=C([O-])C1CCC(NC(=O)N[C@@H](CC2CCC2)c2ccccc2)CC1 ZINC000263284778 605502800 /nfs/dbraw/zinc/50/28/00/605502800.db2.gz UKDSMGWAYSLXFS-ABHNRTSZSA-N -1 0 344.455 3.861 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000830471002 605571349 /nfs/dbraw/zinc/57/13/49/605571349.db2.gz DATSJBIAURKEPC-CYBMUJFWSA-N -1 0 336.457 3.542 20 0 EHADRM C[C@H](NC(=O)C[C@@H](NC(=O)[O-])c1ccccc1)c1c(F)cccc1F ZINC000825103171 605579312 /nfs/dbraw/zinc/57/93/12/605579312.db2.gz WWXBEJAJZHRCDG-XHDPSFHLSA-N -1 0 348.349 3.541 20 0 EHADRM CCOc1ccc(NC(=O)c2ccc(NC(=O)[O-])c(C)c2)cc1OC ZINC000827439830 605579637 /nfs/dbraw/zinc/57/96/37/605579637.db2.gz RRPSHPRLZJEWDN-UHFFFAOYSA-N -1 0 344.367 3.745 20 0 EHADRM Cc1ncc(-c2ccccc2)cc1NC(=O)CC1(NC(=O)[O-])CCC1 ZINC000833915378 605581891 /nfs/dbraw/zinc/58/18/91/605581891.db2.gz NHWAARXPNRMBIK-UHFFFAOYSA-N -1 0 339.395 3.576 20 0 EHADRM CCOc1ccc(NC(=O)C[C@H](NC(=O)[O-])c2ccccc2)c(C)c1 ZINC000827439029 605591645 /nfs/dbraw/zinc/59/16/45/605591645.db2.gz GFMUEQJVIXKWNX-KRWDZBQOSA-N -1 0 342.395 3.731 20 0 EHADRM COc1cc(NC(=O)c2ccc(C(C)C)nc2)ccc1NC(=O)[O-] ZINC000829198524 605624865 /nfs/dbraw/zinc/62/48/65/605624865.db2.gz ZVDOFWGMUWCRLJ-UHFFFAOYSA-N -1 0 329.356 3.556 20 0 EHADRM Cc1cc(C(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)ccc1NC(=O)[O-] ZINC000829919277 605652767 /nfs/dbraw/zinc/65/27/67/605652767.db2.gz IUOILYBMPAKTDM-KKNUOHPOSA-N -1 0 328.412 3.736 20 0 EHADRM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000833606537 605673987 /nfs/dbraw/zinc/67/39/87/605673987.db2.gz QYNQWMOPVNIFPH-GXSJLCMTSA-N -1 0 330.306 3.580 20 0 EHADRM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000833604813 605675783 /nfs/dbraw/zinc/67/57/83/605675783.db2.gz GWVIHOIDVRKBHP-RISCZKNCSA-N -1 0 343.345 3.507 20 0 EHADRM Cc1cc(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)ccc1NC(=O)[O-] ZINC000829947120 605695305 /nfs/dbraw/zinc/69/53/05/605695305.db2.gz VPDUYWSONNPKCC-HOCLYGCPSA-N -1 0 348.443 3.656 20 0 EHADRM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000833603262 605707529 /nfs/dbraw/zinc/70/75/29/605707529.db2.gz ABBRXFHSQPQVEX-WCBMZHEXSA-N -1 0 348.296 3.719 20 0 EHADRM Cc1cc(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)ccc1NC(=O)[O-] ZINC000829940442 605709954 /nfs/dbraw/zinc/70/99/54/605709954.db2.gz NHIYKKFDPGZYFH-ZDUSSCGKSA-N -1 0 344.333 3.936 20 0 EHADRM Cc1cc(C(=O)N2CCS[C@H]3CCCC[C@H]32)ccc1NC(=O)[O-] ZINC000829933632 605709985 /nfs/dbraw/zinc/70/99/85/605709985.db2.gz ACOFPEVECSMKLG-CABCVRRESA-N -1 0 334.441 3.585 20 0 EHADRM CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(NC(=O)[O-])c(C)c2)C12CCC2 ZINC000827379652 605712921 /nfs/dbraw/zinc/71/29/21/605712921.db2.gz LYKIRCLQUBWIJK-HOTGVXAUSA-N -1 0 346.427 3.505 20 0 EHADRM O=C([O-])N1CCCCC[C@@H]1c1noc([C@H]2CCOc3ccccc32)n1 ZINC000834110057 605721758 /nfs/dbraw/zinc/72/17/58/605721758.db2.gz VYESCJYQHJONSL-UONOGXRCSA-N -1 0 343.383 3.579 20 0 EHADRM O=C([O-])N1CCC(CNc2cccc(Oc3ccccn3)c2)CC1 ZINC000834078504 605726885 /nfs/dbraw/zinc/72/68/85/605726885.db2.gz QQPATHHPGVNNJN-UHFFFAOYSA-N -1 0 327.384 3.676 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)NC2(c3ccc(Cl)cc3)CC2)c1 ZINC000834264970 605767739 /nfs/dbraw/zinc/76/77/39/605767739.db2.gz JCSOPOZTPQJUTG-UHFFFAOYSA-N -1 0 344.798 3.778 20 0 EHADRM C[C@@H](C(=O)Nc1scnc1C1CC1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000833790999 605783524 /nfs/dbraw/zinc/78/35/24/605783524.db2.gz RPCBWEOXRMIWIV-MFKMUULPSA-N -1 0 345.424 3.604 20 0 EHADRM C[C@H](SCc1cc(C(=O)[O-])ccc1Cl)C(=O)NC(C)(C)C ZINC000833542386 605788127 /nfs/dbraw/zinc/78/81/27/605788127.db2.gz HTAQLWBPFMOUJJ-VIFPVBQESA-N -1 0 329.849 3.575 20 0 EHADRM O=C([O-])N[C@@H]1C[C@@H](NCc2ccn(C3CCCC3)n2)c2ccccc21 ZINC000834159860 605806245 /nfs/dbraw/zinc/80/62/45/605806245.db2.gz YYRBIDIJMKFJNL-QZTJIDSGSA-N -1 0 340.427 3.542 20 0 EHADRM C[C@@H](OC(=O)c1cc(C(=O)[O-])no1)c1ccc(Cl)cc1Cl ZINC000833533029 605822113 /nfs/dbraw/zinc/82/21/13/605822113.db2.gz VSTUVJNFUQPQMK-ZCFIWIBFSA-N -1 0 330.123 3.598 20 0 EHADRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)C1CCC(c2ccccc2)CC1 ZINC000825801000 605859824 /nfs/dbraw/zinc/85/98/24/605859824.db2.gz KCXQBNGXCMFXHJ-KUQKPQIMSA-N -1 0 344.455 3.608 20 0 EHADRM O=C([O-])N1CCC2(C[C@@H]2C(=O)N2CCCCC[C@@H]2c2ccco2)CC1 ZINC000834086575 605904602 /nfs/dbraw/zinc/90/46/02/605904602.db2.gz DCJCJQNOZFLRQO-HUUCEWRRSA-N -1 0 346.427 3.503 20 0 EHADRM Cc1nc(NC(=O)[O-])sc1-c1nc(-c2ccccc2Cl)no1 ZINC000833913973 605941523 /nfs/dbraw/zinc/94/15/23/605941523.db2.gz OAQZZTRVXDRRGW-UHFFFAOYSA-N -1 0 336.760 3.912 20 0 EHADRM O=C([O-])NC[C@H](NC(=O)N(c1ccccc1)c1ccccc1)C1CC1 ZINC000834204227 605954119 /nfs/dbraw/zinc/95/41/19/605954119.db2.gz CIENKQSEVRIMLO-KRWDZBQOSA-N -1 0 339.395 3.581 20 0 EHADRM O=C([O-])Nc1cc2ccccc2cc1C(=O)N1CC2(C1)CC(F)(F)C2 ZINC000834255003 605991866 /nfs/dbraw/zinc/99/18/66/605991866.db2.gz DCVWCZZWYRZZDV-UHFFFAOYSA-N -1 0 346.333 3.801 20 0 EHADRM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000833930722 605995123 /nfs/dbraw/zinc/99/51/23/605995123.db2.gz USEUCUJNSIWPRC-WDEREUQCSA-N -1 0 345.399 3.752 20 0 EHADRM O=C([O-])N1CCC(CCC(=O)N2CCC[C@H]2c2cccc(F)c2)CC1 ZINC000834077392 606017385 /nfs/dbraw/zinc/01/73/85/606017385.db2.gz WFVTWVAITKIJQJ-KRWDZBQOSA-N -1 0 348.418 3.659 20 0 EHADRM CC(C)[C@H](NC(=O)Cc1ccccc1NC(=O)[O-])c1ccc(F)cc1 ZINC000833793469 606042238 /nfs/dbraw/zinc/04/22/38/606042238.db2.gz UCTRLHCZOCCHIN-SFHVURJKSA-N -1 0 344.386 3.972 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000834270766 606043947 /nfs/dbraw/zinc/04/39/47/606043947.db2.gz BOBVAZWETDBMNY-NEPJUHHUSA-N -1 0 344.333 3.556 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)Nc1cccc(-n2cccc2)c1 ZINC000834273384 606044551 /nfs/dbraw/zinc/04/45/51/606044551.db2.gz MFTBYWMDBOCBOJ-UHFFFAOYSA-N -1 0 335.363 3.748 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)[C@@H](c2ccccc2)C2CC2)cc1 ZINC000834258667 606069026 /nfs/dbraw/zinc/06/90/26/606069026.db2.gz JIPMUXIZPSGCKU-SFHVURJKSA-N -1 0 338.407 3.629 20 0 EHADRM O=C([O-])N[C@H](CC(F)F)C(=O)Oc1ccc(-c2ccccc2)cc1 ZINC000834138809 606085766 /nfs/dbraw/zinc/08/57/66/606085766.db2.gz XHRQJPYMERTZEL-CQSZACIVSA-N -1 0 335.306 3.550 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2ccccc2o1)c1ccc(Cl)c(F)c1 ZINC000181892269 939033118 /nfs/dbraw/zinc/03/31/18/939033118.db2.gz IQYORWCLZZAWOD-HNNXBMFYSA-N -1 0 347.729 3.781 20 0 EHADRM Cc1cc(F)ccc1C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000191477539 939037437 /nfs/dbraw/zinc/03/74/37/939037437.db2.gz XVIBLFXYIRFVAD-GOSISDBHSA-N -1 0 337.350 3.843 20 0 EHADRM C[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1)c1cccs1 ZINC000191491894 939038690 /nfs/dbraw/zinc/03/86/90/939038690.db2.gz HKUPEVOVZOMJAC-YVEFUNNKSA-N -1 0 339.416 3.947 20 0 EHADRM CCO[C@@H]1C[C@](NC(=O)CCCC2CCCCC2)(C(=O)[O-])C1(C)C ZINC000193049171 939041215 /nfs/dbraw/zinc/04/12/15/939041215.db2.gz VUVIYLWQYQPEHH-BEFAXECRSA-N -1 0 339.476 3.512 20 0 EHADRM CC1CCC(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)(C(=O)[O-])CC1 ZINC000236809963 939045019 /nfs/dbraw/zinc/04/50/19/939045019.db2.gz YFZPGXADDWUTTB-IIFMEPTQSA-N -1 0 335.831 3.593 20 0 EHADRM CC1CCC(NC(=O)c2c(Cl)c3ccccc3n2C)(C(=O)[O-])CC1 ZINC000236813912 939045092 /nfs/dbraw/zinc/04/50/92/939045092.db2.gz JSQSYGYBKFZBRP-UHFFFAOYSA-N -1 0 348.830 3.595 20 0 EHADRM CC[C@](NC(=O)Nc1ccc2[nH]ccc2c1)(C(=O)[O-])c1ccccc1 ZINC000684743714 939045616 /nfs/dbraw/zinc/04/56/16/939045616.db2.gz BRZPRYHHYHDJLZ-LJQANCHMSA-N -1 0 337.379 3.680 20 0 EHADRM O=C([O-])[C@@]1(NC(=O)Nc2ccc(Cl)c(F)c2)CCc2ccccc21 ZINC000684744088 939045932 /nfs/dbraw/zinc/04/59/32/939045932.db2.gz FZDAPCIWIYPBKW-QGZVFWFLSA-N -1 0 348.761 3.527 20 0 EHADRM CC(C)c1ccc(NC(=O)N[C@@]2(C(=O)[O-])CCc3ccccc32)cc1 ZINC000684745781 939048022 /nfs/dbraw/zinc/04/80/22/939048022.db2.gz RQXTVPREMLOGTN-FQEVSTJZSA-N -1 0 338.407 3.858 20 0 EHADRM O=C([O-])C1(NC(=O)CCc2ccc(-c3ccccc3F)o2)CCCC1 ZINC000237925375 939051567 /nfs/dbraw/zinc/05/15/67/939051567.db2.gz BYTQVQWUMACRHC-UHFFFAOYSA-N -1 0 345.370 3.532 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl)c1ccccc1 ZINC000238001690 939054130 /nfs/dbraw/zinc/05/41/30/939054130.db2.gz UXPSNGODODBESG-OZVIIMIRSA-N -1 0 347.773 3.525 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl)c1ccccc1 ZINC000238022140 939055334 /nfs/dbraw/zinc/05/53/34/939055334.db2.gz UXPSNGODODBESG-XHBSWPGZSA-N -1 0 347.773 3.525 20 0 EHADRM O=C([O-])C1(NC(=O)c2ccc(SC(F)F)cc2)CCCCCC1 ZINC000238095263 939056865 /nfs/dbraw/zinc/05/68/65/939056865.db2.gz ZWEYLCSMRSRAIX-UHFFFAOYSA-N -1 0 343.395 3.909 20 0 EHADRM O=C([O-])[C@H](NC(=O)CC1=CCCCC1)c1ccc(Cl)c(F)c1 ZINC000262056293 939058651 /nfs/dbraw/zinc/05/86/51/939058651.db2.gz CJMFXNSRKQXIPZ-OAHLLOKOSA-N -1 0 325.767 3.612 20 0 EHADRM O=C([O-])C1(NC(=O)COc2ccc3ccccc3c2)CCCCCC1 ZINC000746363692 939060525 /nfs/dbraw/zinc/06/05/25/939060525.db2.gz DUSPLKJHPOJHKP-UHFFFAOYSA-N -1 0 341.407 3.512 20 0 EHADRM C[C@](NC(=O)c1[nH]c2ccccc2c1Cl)(C(=O)[O-])c1ccccc1 ZINC000766963515 939084076 /nfs/dbraw/zinc/08/40/76/939084076.db2.gz VLJQLMMTSOJXEQ-GOSISDBHSA-N -1 0 342.782 3.551 20 0 EHADRM CC[C@@](NC(=O)/C=C(/C)c1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC000766971596 939085070 /nfs/dbraw/zinc/08/50/70/939085070.db2.gz UJHADMHRNPLRIU-ODLZTCLXSA-N -1 0 341.382 3.735 20 0 EHADRM Cc1cccc([C@H](NC(=O)CC(C)(C)C(F)(F)F)C(=O)[O-])c1C ZINC000262981510 939091086 /nfs/dbraw/zinc/09/10/86/939091086.db2.gz JNQYOUQRPPJIMY-ZDUSSCGKSA-N -1 0 331.334 3.524 20 0 EHADRM CC[C@@](NC(=O)[C@H](C)c1c(F)cccc1F)(C(=O)[O-])c1ccccc1 ZINC000263048020 939095147 /nfs/dbraw/zinc/09/51/47/939095147.db2.gz FERHWBGEPNRVSU-BLVKFPJESA-N -1 0 347.361 3.575 20 0 EHADRM CSc1ccc(NC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000320245888 939123393 /nfs/dbraw/zinc/12/33/93/939123393.db2.gz HIEWRISEFCMBRW-KRWDZBQOSA-N -1 0 330.409 3.530 20 0 EHADRM Cc1ccc(NC(=O)NC2(C(=O)[O-])CCCC2)cc1C(F)(F)F ZINC000321328961 939124278 /nfs/dbraw/zinc/12/42/78/939124278.db2.gz PEBNFVRTKVGZCI-UHFFFAOYSA-N -1 0 330.306 3.533 20 0 EHADRM CCCc1cc(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)sc1C ZINC000321217665 939124311 /nfs/dbraw/zinc/12/43/11/939124311.db2.gz JVKVGRPZPAVKEX-SFHVURJKSA-N -1 0 331.437 3.739 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000327407016 939127720 /nfs/dbraw/zinc/12/77/20/939127720.db2.gz LNTTUBYKSFOPJX-IBGZPJMESA-N -1 0 341.338 3.610 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000391966634 939136720 /nfs/dbraw/zinc/13/67/20/939136720.db2.gz BUCKDMDEASTUKS-CYBMUJFWSA-N -1 0 338.285 3.653 20 0 EHADRM Cc1ccc(NC(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)c(C)c1 ZINC000788316812 939148723 /nfs/dbraw/zinc/14/87/23/939148723.db2.gz AIWCKYXGBFTFTA-KRWDZBQOSA-N -1 0 326.396 3.868 20 0 EHADRM CC[C@](NC(=O)/C=C/c1cccs1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000795541324 939157312 /nfs/dbraw/zinc/15/73/12/939157312.db2.gz NECSEKCKQBNQNQ-OAGJVSPASA-N -1 0 349.839 3.921 20 0 EHADRM Cc1cc(C)cc([C@@H](NC(=O)NC[C@H](C)c2ccccc2)C(=O)[O-])c1 ZINC000797703973 939160257 /nfs/dbraw/zinc/16/02/57/939160257.db2.gz MJRZXQYNZYFKSX-MAUKXSAKSA-N -1 0 340.423 3.532 20 0 EHADRM CCOc1ccc([C@@H](C)NC(=O)NC2(C(=O)[O-])CCCCCC2)cc1 ZINC000797710601 939169074 /nfs/dbraw/zinc/16/90/74/939169074.db2.gz FXDPNQAZEPJRBK-CQSZACIVSA-N -1 0 348.443 3.623 20 0 EHADRM O=C([O-])C1(NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)CCCCCC1 ZINC000432004707 939171688 /nfs/dbraw/zinc/17/16/88/939171688.db2.gz CIAOCLCKYWQNMA-HUUCEWRRSA-N -1 0 335.831 3.737 20 0 EHADRM Cc1cc(C(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)c(C)n1C1CC1 ZINC000455885781 939209558 /nfs/dbraw/zinc/20/95/58/939209558.db2.gz OSYPJMSIGBDZTN-SFHVURJKSA-N -1 0 340.423 3.612 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000828081103 939220141 /nfs/dbraw/zinc/22/01/41/939220141.db2.gz NYOHJTDQUMFRAP-OAHLLOKOSA-N -1 0 337.322 3.545 20 0 EHADRM O=C([O-])[C@H](NC(=O)NCc1csc2ccccc12)c1ccccc1 ZINC000516105448 939242635 /nfs/dbraw/zinc/24/26/35/939242635.db2.gz UATRXIAMKHNZPC-MRXNPFEDSA-N -1 0 340.404 3.526 20 0 EHADRM Cc1cccc([C@H](NC(=O)Nc2ccc3[nH]ccc3c2)C(=O)[O-])c1C ZINC000520951802 939255638 /nfs/dbraw/zinc/25/56/38/939255638.db2.gz WELJTADZHSGYKA-KRWDZBQOSA-N -1 0 337.379 3.732 20 0 EHADRM Cc1cc(SC(C)(C)C)ccc1NC(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000900333129 939275978 /nfs/dbraw/zinc/27/59/78/939275978.db2.gz JTJGURZHYNKOKS-CQSZACIVSA-N -1 0 336.457 3.870 20 0 EHADRM CSCc1ccc(NC(=O)N[C@H](C(=O)[O-])C2CCCCC2)cc1 ZINC000554603235 939300594 /nfs/dbraw/zinc/30/05/94/939300594.db2.gz MWGNCGSTCROOAL-HNNXBMFYSA-N -1 0 336.457 3.705 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1csc(C2CCCCC2)c1)c1cccnc1 ZINC000907786769 939301359 /nfs/dbraw/zinc/30/13/59/939301359.db2.gz XROLAMKOUUNWOY-MRXNPFEDSA-N -1 0 344.436 3.747 20 0 EHADRM Cc1ccc([C@H](NC(=O)Nc2ccc3[nH]ccc3c2)C(=O)[O-])cc1C ZINC000559586590 939317347 /nfs/dbraw/zinc/31/73/47/939317347.db2.gz SFIIPGYCWMRHRD-KRWDZBQOSA-N -1 0 337.379 3.732 20 0 EHADRM CC[C@](NC(=O)Cc1cccc(C)c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000561310070 939318763 /nfs/dbraw/zinc/31/87/63/939318763.db2.gz GHFUJBSWJIXYNN-LJQANCHMSA-N -1 0 345.826 3.697 20 0 EHADRM CC(C)[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccsc1)c1ccccc1 ZINC000566506825 939354480 /nfs/dbraw/zinc/35/44/80/939354480.db2.gz HVFPOWPVXDPYQO-NVXWUHKLSA-N -1 0 331.437 3.820 20 0 EHADRM CC[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccsc1)c1ccc(C)cc1 ZINC000570057891 939380863 /nfs/dbraw/zinc/38/08/63/939380863.db2.gz JZXLBCCPXZIFSS-SUMWQHHRSA-N -1 0 331.437 3.882 20 0 EHADRM Cc1cccc([C@@H](NC(=O)Nc2ccc(Cl)cc2)C(=O)[O-])c1C ZINC000572098407 939396707 /nfs/dbraw/zinc/39/67/07/939396707.db2.gz PMAAHTXOEVTBCL-OAHLLOKOSA-N -1 0 332.787 3.904 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1ccc(OCC2CCCCC2)cc1)C1CC1 ZINC000573064439 939404979 /nfs/dbraw/zinc/40/49/79/939404979.db2.gz WWYZRNZFGSPDCM-KRWDZBQOSA-N -1 0 346.427 3.630 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)N[C@@H](C(=O)[O-])c1ccsc1 ZINC000576362201 939738620 /nfs/dbraw/zinc/73/86/20/939738620.db2.gz WVABZCMEEDZSBC-IINYFYTJSA-N -1 0 337.828 3.522 20 0 EHADRM CC[C@](NC(=O)Nc1ccc2c(c1)CCC2)(C(=O)[O-])c1ccccc1 ZINC000577817177 939749552 /nfs/dbraw/zinc/74/95/52/939749552.db2.gz XQMQJSRDNZKXOB-HXUWFJFHSA-N -1 0 338.407 3.687 20 0 EHADRM O=C([O-])[C@@H](NC(=O)C1CC2(CC2(F)F)C1)c1cccc2ccccc21 ZINC000910937414 939761195 /nfs/dbraw/zinc/76/11/95/939761195.db2.gz RRQUGZCSXJSYAQ-KVIBHRHWSA-N -1 0 345.345 3.517 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)cc1 ZINC000581921061 939781102 /nfs/dbraw/zinc/78/11/02/939781102.db2.gz KGPKEEIIFKOVMX-SUMWQHHRSA-N -1 0 344.386 3.629 20 0 EHADRM CC[C@H](NC(=O)N[C@H](C(=O)[O-])c1cccs1)c1ccc(C)cc1 ZINC000582219260 939783251 /nfs/dbraw/zinc/78/32/51/939783251.db2.gz ZOUTVILWGIOQRQ-ZFWWWQNUSA-N -1 0 332.425 3.633 20 0 EHADRM Cc1ccc([C@@H](NC(=O)N[C@@H](C)c2ccsc2)C(=O)[O-])cc1C ZINC000929034177 939795705 /nfs/dbraw/zinc/79/57/05/939795705.db2.gz MYNUAOJBNOPKDG-SWLSCSKDSA-N -1 0 332.425 3.551 20 0 EHADRM CCC[C@H](C(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1C)c1ccccn1 ZINC000630191689 939816179 /nfs/dbraw/zinc/81/61/79/939816179.db2.gz TYDBITINMOQIQA-FUHWJXTLSA-N -1 0 340.423 3.524 20 0 EHADRM C[C@H](CCC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000649355562 939832606 /nfs/dbraw/zinc/83/26/06/939832606.db2.gz ZPOZWPCNRUSQJQ-FOIQADDNSA-N -1 0 325.408 3.687 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1ccc2[nH]ccc2c1)C1CCCCCC1 ZINC000653487654 939836336 /nfs/dbraw/zinc/83/63/36/939836336.db2.gz GSJRDOLWPHNNPS-INIZCTEOSA-N -1 0 329.400 3.713 20 0 EHADRM CSc1ccc(-c2csc(NC(=O)[C@H](C(=O)[O-])C3CC3)n2)cc1 ZINC000656850123 939847349 /nfs/dbraw/zinc/84/73/49/939847349.db2.gz YQFNLVSXDOFEEL-CYBMUJFWSA-N -1 0 348.449 3.581 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1ccc(Cc2ccncc2)cc1)C1CCCC1 ZINC000663094384 939854315 /nfs/dbraw/zinc/85/43/15/939854315.db2.gz AGJKYTFSPDKCLP-SFHVURJKSA-N -1 0 338.407 3.502 20 0 EHADRM Cc1cc2cc(C(=O)N[C@@](C)(C(=O)[O-])c3ccccc3)oc2cc1C ZINC000675982612 939866163 /nfs/dbraw/zinc/86/61/63/939866163.db2.gz VNGQRNLSPGLZCU-HXUWFJFHSA-N -1 0 337.375 3.779 20 0 EHADRM O=C([O-])[C@@]1(NC(=O)C[C@H]2CCCc3ccccc32)CCc2ccccc21 ZINC000675990752 939867457 /nfs/dbraw/zinc/86/74/57/939867457.db2.gz KJCHNNQYGDQDRV-VGOFRKELSA-N -1 0 349.430 3.539 20 0 EHADRM CC(C)c1ccc(CCC(=O)N[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000678985897 939869005 /nfs/dbraw/zinc/86/90/05/939869005.db2.gz CLKBWUBPIPJRAS-IBGZPJMESA-N -1 0 343.398 3.824 20 0 EHADRM CC[C@H](CC(=O)N[C@@H](C(=O)[O-])c1ccccc1F)c1ccc(C)cc1 ZINC000678988867 939869531 /nfs/dbraw/zinc/86/95/31/939869531.db2.gz OWBLDJWYZZXXMO-AUUYWEPGSA-N -1 0 343.398 3.960 20 0 EHADRM C[C@H](NC(=O)N[C@@H](C(=O)[O-])c1ccccc1)c1cc2ccccc2o1 ZINC000679540237 939869709 /nfs/dbraw/zinc/86/97/09/939869709.db2.gz KOUCQLSVMWVBOS-YVEFUNNKSA-N -1 0 338.363 3.619 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)N[C@H](C(=O)[O-])C2CCCCC2)c1 ZINC000679558555 939869992 /nfs/dbraw/zinc/86/99/92/939869992.db2.gz ASAWTLHXRXLABK-WBMJQRKESA-N -1 0 334.416 3.549 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2ccc(COC3CCCC3)cc2)CCCC1 ZINC000679564330 939870039 /nfs/dbraw/zinc/87/00/39/939870039.db2.gz VOFKNYNYSCOSBY-UHFFFAOYSA-N -1 0 346.427 3.665 20 0 EHADRM Cc1cccc([C@@H](NC(=O)NCc2ccccc2Cl)C(=O)[O-])c1C ZINC000684711241 939871378 /nfs/dbraw/zinc/87/13/78/939871378.db2.gz RDPWHPSVVIVNBR-MRXNPFEDSA-N -1 0 346.814 3.582 20 0 EHADRM C[C@H](NC(=O)N[C@H](C(=O)[O-])c1cccs1)c1cc2ccccc2o1 ZINC000684712531 939871415 /nfs/dbraw/zinc/87/14/15/939871415.db2.gz BHSLPTPVNYASKI-BONVTDFDSA-N -1 0 344.392 3.680 20 0 EHADRM CN(Cc1ccccc1Cl)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000321630636 970790570 /nfs/dbraw/zinc/79/05/70/970790570.db2.gz WYAICLKCLKYMGD-UHFFFAOYSA-N -1 0 338.835 3.517 20 0 EHADRM CC(C)C[C@@H](CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(=O)[O-] ZINC000321731026 970801996 /nfs/dbraw/zinc/80/19/96/970801996.db2.gz OKEYUDPIHJWSFR-VIFPVBQESA-N -1 0 334.294 3.772 20 0 EHADRM CCC1(CC)CCN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C1 ZINC000321915748 970825688 /nfs/dbraw/zinc/82/56/88/970825688.db2.gz XYNKJMKURQIGSP-UHFFFAOYSA-N -1 0 326.343 3.707 20 0 EHADRM O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)cc1 ZINC000321906738 970822612 /nfs/dbraw/zinc/82/26/12/970822612.db2.gz GPGFRPXKRCUJOC-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM Cc1sc(Br)c(C(=O)NC(C)(C)CCC(=O)[O-])c1C ZINC001600865253 970873907 /nfs/dbraw/zinc/87/39/07/970873907.db2.gz WDXGUPRBECYMAE-UHFFFAOYSA-N -1 0 348.262 3.501 20 0 EHADRM N#Cc1ccc(NC(=O)NC2(CC(=O)[O-])CCCCC2)c(Cl)c1 ZINC000323089645 970966412 /nfs/dbraw/zinc/96/64/12/970966412.db2.gz WDACWSDACQMJHZ-UHFFFAOYSA-N -1 0 335.791 3.511 20 0 EHADRM CC(C)CCCCCCNC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000323137497 970970052 /nfs/dbraw/zinc/97/00/52/970970052.db2.gz IGJDCROKPPRFFQ-UHFFFAOYSA-N -1 0 326.481 3.879 20 0 EHADRM CSC1(CNC(=O)Nc2cc(C(=O)[O-])ccc2F)CCCCC1 ZINC000323197702 970975625 /nfs/dbraw/zinc/97/56/25/970975625.db2.gz UBCPACNVDWLIQA-UHFFFAOYSA-N -1 0 340.420 3.711 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H](c2ccc(F)c(Cl)c2)C2CC2)C1 ZINC001601426519 970992894 /nfs/dbraw/zinc/99/28/94/970992894.db2.gz BKDSAWNRPQGPEO-ZOWXZIJZSA-N -1 0 339.794 3.547 20 0 EHADRM CCCc1cc(C(=O)Nc2ccc(C(=O)[O-])c(OC)c2)sc1C ZINC000323409240 971002078 /nfs/dbraw/zinc/00/20/78/971002078.db2.gz MBPZJBMZUBSKJU-UHFFFAOYSA-N -1 0 333.409 3.968 20 0 EHADRM CCc1ccc(NC(=O)CSc2ccc(C)cc2)c(C(=O)[O-])c1 ZINC000323440068 971005768 /nfs/dbraw/zinc/00/57/68/971005768.db2.gz YTAPTHQBRXZDNM-UHFFFAOYSA-N -1 0 329.421 3.986 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2(c3cccc(Cl)c3)CCC2)cc1O ZINC000323957512 971066813 /nfs/dbraw/zinc/06/68/13/971066813.db2.gz QQVXAROCGMKMOC-UHFFFAOYSA-N -1 0 345.782 3.804 20 0 EHADRM CSc1ccc(C)c(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)c1 ZINC000324050420 971079059 /nfs/dbraw/zinc/07/90/59/971079059.db2.gz YHACNSFUDMAQFF-UHFFFAOYSA-N -1 0 337.347 3.946 20 0 EHADRM CC(C)(C)c1noc(COc2c(C(=O)[O-])ccc3ccccc32)n1 ZINC000324624024 971140989 /nfs/dbraw/zinc/14/09/89/971140989.db2.gz RTUNQGMTQGLKIF-UHFFFAOYSA-N -1 0 326.352 3.798 20 0 EHADRM O=C([O-])[C@@H](CNc1ccc([N+](=O)[O-])cc1C(F)F)c1ccccc1 ZINC000324736637 971152663 /nfs/dbraw/zinc/15/26/63/971152663.db2.gz LNANAYBWBGAXES-ZDUSSCGKSA-N -1 0 336.294 3.813 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](Nc2cnc3cc(F)c(F)cc3n2)c2ccccc21 ZINC001602200664 971173674 /nfs/dbraw/zinc/17/36/74/971173674.db2.gz XRCZQBMLNSBNHR-RISCZKNCSA-N -1 0 341.317 3.633 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCc2ccccc2Oc2ccccc2)nc1 ZINC001602323018 971180921 /nfs/dbraw/zinc/18/09/21/971180921.db2.gz DGQAKKAPLSVYEZ-UHFFFAOYSA-N -1 0 348.358 3.502 20 0 EHADRM O=C([O-])c1ccc(CNCc2c(F)cccc2Br)cc1 ZINC001602348459 971188045 /nfs/dbraw/zinc/18/80/45/971188045.db2.gz XIOXRRHUIDHMQP-UHFFFAOYSA-N -1 0 338.176 3.576 20 0 EHADRM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000325224633 971194931 /nfs/dbraw/zinc/19/49/31/971194931.db2.gz AQHAKXRGPQOQFC-JYJNAYRXSA-N -1 0 338.492 3.734 20 0 EHADRM CC(C)(C)c1ccc(C(=O)NCc2ccccc2CC(=O)[O-])cc1 ZINC000325250668 971196902 /nfs/dbraw/zinc/19/69/02/971196902.db2.gz YNCRBRPQRIHYCI-UHFFFAOYSA-N -1 0 325.408 3.541 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000325285670 971201392 /nfs/dbraw/zinc/20/13/92/971201392.db2.gz VHJMAQBIXPLBQS-NSHDSACASA-N -1 0 348.321 3.596 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)c2ccccc21 ZINC000325663662 971233871 /nfs/dbraw/zinc/23/38/71/971233871.db2.gz CFCCARIYRGWESV-UPJWGTAASA-N -1 0 341.329 3.570 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cc(Cl)c3ccccc3n2)CCCCC1 ZINC000325839045 971247438 /nfs/dbraw/zinc/24/74/38/971247438.db2.gz YAYXOAIHRMLRLY-UHFFFAOYSA-N -1 0 346.814 3.796 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC000325838638 971247450 /nfs/dbraw/zinc/24/74/50/971247450.db2.gz VUPJXWMHXHKLLY-UPJWGTAASA-N -1 0 349.393 3.705 20 0 EHADRM C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C1 ZINC000326094787 971267342 /nfs/dbraw/zinc/26/73/42/971267342.db2.gz TXJFFGQLFMGUCP-MCIONIFRSA-N -1 0 332.444 3.947 20 0 EHADRM Cc1c(C(=O)[O-])cc(CNc2ccccc2N2CCCCC2)n1C ZINC000326413568 971291130 /nfs/dbraw/zinc/29/11/30/971291130.db2.gz PJAMPMQEPVCXRM-UHFFFAOYSA-N -1 0 327.428 3.634 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)c2ccc(OC(F)F)cc2)c1F ZINC000326567536 971304194 /nfs/dbraw/zinc/30/41/94/971304194.db2.gz VBDBEMGKENIKPX-UHFFFAOYSA-N -1 0 343.232 3.517 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](c2nc([C@@H]3CCc4ccccc4C3)no2)C1 ZINC000326701624 971318262 /nfs/dbraw/zinc/31/82/62/971318262.db2.gz VCZXHASAQSUKNE-OWCLPIDISA-N -1 0 326.396 3.701 20 0 EHADRM CC(C)COc1cccc(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)c1 ZINC000326908992 971343526 /nfs/dbraw/zinc/34/35/26/971343526.db2.gz LUQXOBUTDOOWGT-UHFFFAOYSA-N -1 0 349.333 3.950 20 0 EHADRM COc1ccc(NC(=O)COc2cccc(C(C)C)c2)c(C(=O)[O-])c1 ZINC000326932967 971346481 /nfs/dbraw/zinc/34/64/81/971346481.db2.gz CWUFABDWRMOXQJ-UHFFFAOYSA-N -1 0 343.379 3.534 20 0 EHADRM Cc1[nH]c2ccccc2c1CC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000326980428 971352393 /nfs/dbraw/zinc/35/23/93/971352393.db2.gz UOWWHFVPQCVFCY-UHFFFAOYSA-N -1 0 336.391 3.675 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(Cc1coc(-c3ccccc3)n1)CC2 ZINC000327004479 971355435 /nfs/dbraw/zinc/35/54/35/971355435.db2.gz CFCSYTGVDSLAKH-UHFFFAOYSA-N -1 0 334.375 3.598 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)CCCc1c[nH]c2ccccc12 ZINC000327269531 971381795 /nfs/dbraw/zinc/38/17/95/971381795.db2.gz CYYSIIKFQHXINH-UHFFFAOYSA-N -1 0 340.354 3.967 20 0 EHADRM CC(C)c1ccccc1OCC(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC000327851802 971428779 /nfs/dbraw/zinc/42/87/79/971428779.db2.gz UMVHUUOYURPHSM-QGZVFWFLSA-N -1 0 347.455 3.729 20 0 EHADRM C[C@@H](CCc1ccccc1)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000327872358 971431315 /nfs/dbraw/zinc/43/13/15/971431315.db2.gz XGZGRDLZDULDLX-NSHDSACASA-N -1 0 348.349 3.806 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000328248461 971456923 /nfs/dbraw/zinc/45/69/23/971456923.db2.gz BNYVPIMHHFFSIP-UHFFFAOYSA-N -1 0 336.347 3.585 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)NCc1ccccc1C(=O)[O-] ZINC001589562066 948827144 /nfs/dbraw/zinc/82/71/44/948827144.db2.gz OJWPBKXJDLFKIJ-HNNXBMFYSA-N -1 0 325.408 3.578 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCCCC(=O)[O-] ZINC000037406777 948828439 /nfs/dbraw/zinc/82/84/39/948828439.db2.gz QBPMCDVMFWZZIX-NSHDSACASA-N -1 0 329.849 3.582 20 0 EHADRM O=C([O-])c1cccc(CC(=O)Nc2ccc3oc(C4CC4)nc3c2)c1 ZINC000347381559 971525250 /nfs/dbraw/zinc/52/52/50/971525250.db2.gz WHNIIZKJAWNQTI-UHFFFAOYSA-N -1 0 336.347 3.585 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000346002355 971520907 /nfs/dbraw/zinc/52/09/07/971520907.db2.gz ABAFRFQJBVRMMD-DOPJRALCSA-N -1 0 325.408 3.655 20 0 EHADRM Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000346978862 971521138 /nfs/dbraw/zinc/52/11/38/971521138.db2.gz DDPQHRQKQFGPNP-UHFFFAOYSA-N -1 0 336.347 3.529 20 0 EHADRM CCCC[C@@H](NC(=O)C1(Sc2ccccc2)CCCC1)C(=O)[O-] ZINC000347267483 971522638 /nfs/dbraw/zinc/52/26/38/971522638.db2.gz XGTZLWCOHPHJSY-OAHLLOKOSA-N -1 0 335.469 3.851 20 0 EHADRM CCC[C@@H](NC(=O)C1(c2ccc(OCC(C)C)cc2)CCC1)C(=O)[O-] ZINC000347438731 971526244 /nfs/dbraw/zinc/52/62/44/971526244.db2.gz ZJNCRJAGUOIYEB-QGZVFWFLSA-N -1 0 347.455 3.513 20 0 EHADRM O=C([O-])c1coc(C(=O)N(CCc2ccccc2)Cc2ccccc2)c1 ZINC000352390869 971528725 /nfs/dbraw/zinc/52/87/25/971528725.db2.gz HMRFICBFBGFWGU-UHFFFAOYSA-N -1 0 349.386 3.863 20 0 EHADRM C[C@H](NC(=O)c1cc(C(=O)[O-])co1)c1cc(Cl)ccc1Cl ZINC000352396648 971528749 /nfs/dbraw/zinc/52/87/49/971528749.db2.gz FCKSVSFNIXMCSU-ZETCQYMHSA-N -1 0 328.151 3.776 20 0 EHADRM O=C([O-])c1coc(C(=O)NCc2cccc(Oc3ccccc3)c2)c1 ZINC000352399853 971529080 /nfs/dbraw/zinc/52/90/80/971529080.db2.gz VYGDBDNFAJSBDN-UHFFFAOYSA-N -1 0 337.331 3.700 20 0 EHADRM C[C@H](C(=O)Nc1ccc(OCC(=O)[O-])cc1)c1cc2ccccc2o1 ZINC000354174007 971529967 /nfs/dbraw/zinc/52/99/67/971529967.db2.gz WTJOKEXKGDXPNN-LBPRGKRZSA-N -1 0 339.347 3.638 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)c(F)c1 ZINC000358605123 971531484 /nfs/dbraw/zinc/53/14/84/971531484.db2.gz HULVWMUBEZHQAT-UHFFFAOYSA-N -1 0 347.773 3.982 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2ccco2)Cc2ccco2)c(F)c1 ZINC000358611973 971532119 /nfs/dbraw/zinc/53/21/19/971532119.db2.gz UMTUAVZMTZIZFW-UHFFFAOYSA-N -1 0 343.310 3.553 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccco2)c1 ZINC000360551688 971532258 /nfs/dbraw/zinc/53/22/58/971532258.db2.gz DSPRDLKXBZPPBI-HUUCEWRRSA-N -1 0 345.420 3.730 20 0 EHADRM Cc1ccc(F)c(NC(=O)CC(C)(C)CC(=O)[O-])c1Br ZINC000359083502 971532433 /nfs/dbraw/zinc/53/24/33/971532433.db2.gz FYHDRISGJRGJRW-UHFFFAOYSA-N -1 0 346.196 3.726 20 0 EHADRM C[C@@H](CC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1)c1ccccc1 ZINC000362515094 971534869 /nfs/dbraw/zinc/53/48/69/971534869.db2.gz DBRGYQBAFYLUKA-AWEZNQCLSA-N -1 0 345.826 3.947 20 0 EHADRM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCC1(C(=O)[O-])CCC1 ZINC001589585775 949048240 /nfs/dbraw/zinc/04/82/40/949048240.db2.gz MGJITZKHHQYLFA-IAGOWNOFSA-N -1 0 344.455 3.609 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2cccnc2OCc2ccccc2)c1 ZINC001595241808 949463192 /nfs/dbraw/zinc/46/31/92/949463192.db2.gz CROOIQDKJWSUCX-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cnc(Cl)cc2C(F)(F)F)c1 ZINC001595248718 949529116 /nfs/dbraw/zinc/52/91/16/949529116.db2.gz ARCLBXOGJFEAQN-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM CCCCC1CCC(CNC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)CC1 ZINC001589639761 949671360 /nfs/dbraw/zinc/67/13/60/949671360.db2.gz KNWLAZYKRPYEBL-VXLLPVPCSA-N -1 0 338.492 3.735 20 0 EHADRM CCCC[C@H](CC)CNC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001589641355 949692799 /nfs/dbraw/zinc/69/27/99/949692799.db2.gz REWVKTNYZFVTRY-KXBFYZLASA-N -1 0 334.460 3.545 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)c2csc(C3CCCCC3)n2)c1 ZINC001595263878 949723905 /nfs/dbraw/zinc/72/39/05/949723905.db2.gz QCVKHRMFKHLLCZ-UHFFFAOYSA-N -1 0 331.397 3.536 20 0 EHADRM CCCCCCOc1ccc(C(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])cc1 ZINC001589645436 949725996 /nfs/dbraw/zinc/72/59/96/949725996.db2.gz BDLJBSFEZARTFX-RHSMWYFYSA-N -1 0 333.428 3.723 20 0 EHADRM CCCCCCO[C@@H](C)C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC001589645814 949732091 /nfs/dbraw/zinc/73/20/91/949732091.db2.gz SCVPPVGQNSKLBT-GOEBONIOSA-N -1 0 333.428 3.577 20 0 EHADRM CCCCCCOC(=O)c1ccc(NC(=O)[C@H](C(=O)[O-])C(C)C)cc1 ZINC001589645784 949733346 /nfs/dbraw/zinc/73/33/46/949733346.db2.gz QQBQGSDQVIMBAR-MRXNPFEDSA-N -1 0 349.427 3.719 20 0 EHADRM Cc1cc(Br)cc(NC(=O)NC(C)(C)CCC(=O)[O-])c1 ZINC000232045580 949761274 /nfs/dbraw/zinc/76/12/74/949761274.db2.gz VPMQSORXMPOSOS-UHFFFAOYSA-N -1 0 343.221 3.522 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)Oc1cccc(-c2nc(C(C)(C)C)cs2)c1 ZINC001602815078 971612858 /nfs/dbraw/zinc/61/28/58/971612858.db2.gz WFUJGRRMIYLZIQ-SNVBAGLBSA-N -1 0 333.409 3.734 20 0 EHADRM CC(C)C[C@@H](NC(=O)CCc1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000236767868 949933396 /nfs/dbraw/zinc/93/33/96/949933396.db2.gz BQTNAAHRESCFNX-GOSISDBHSA-N -1 0 347.455 3.556 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1C(=O)CC(c1ccccc1)c1ccccc1 ZINC000238029100 949988544 /nfs/dbraw/zinc/98/85/44/949988544.db2.gz JZYOQQXSEVYQPH-IBGZPJMESA-N -1 0 337.419 3.674 20 0 EHADRM CCCOc1ccc(NC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1C ZINC001589681310 950050179 /nfs/dbraw/zinc/05/01/79/950050179.db2.gz KAKBWCCHACTSMJ-KBPBESRZSA-N -1 0 334.416 3.501 20 0 EHADRM CC(C)(Oc1ccc(F)cc1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000262151839 950072374 /nfs/dbraw/zinc/07/23/74/950072374.db2.gz FYQBVPWUAKGILC-UHFFFAOYSA-N -1 0 345.370 3.639 20 0 EHADRM CCCc1ccc(-c2nc(NC(=O)[C@@H](C)C(=O)[O-])sc2C)cc1 ZINC001589691526 950119331 /nfs/dbraw/zinc/11/93/31/950119331.db2.gz NCWJFBASPRZOOI-SNVBAGLBSA-N -1 0 332.425 3.730 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)c1 ZINC000262473443 950131227 /nfs/dbraw/zinc/13/12/27/950131227.db2.gz ZJOWSKUVPZHJGG-HOCLYGCPSA-N -1 0 345.345 3.724 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000263081241 950250200 /nfs/dbraw/zinc/25/02/00/950250200.db2.gz HSWPCVWDLVEPJP-CABCVRRESA-N -1 0 348.443 3.686 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC000263168683 950307547 /nfs/dbraw/zinc/30/75/47/950307547.db2.gz PSHQFCKOKKPJGO-ZFWWWQNUSA-N -1 0 335.444 3.585 20 0 EHADRM Cc1ccc(C)c(OCCCCC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)c1 ZINC000263225251 950334146 /nfs/dbraw/zinc/33/41/46/950334146.db2.gz PXHAOJQUEOOBIQ-SJORKVTESA-N -1 0 347.455 3.564 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1cccc(Oc2ccccc2)c1 ZINC000263380104 950420652 /nfs/dbraw/zinc/42/06/52/950420652.db2.gz BHEIPKSMPAMGJL-IBGZPJMESA-N -1 0 325.364 3.558 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1nc(-c2ccccc2)cs1 ZINC000263387374 950429673 /nfs/dbraw/zinc/42/96/73/950429673.db2.gz CXEIGFNIVBDYCR-CQSZACIVSA-N -1 0 344.436 3.670 20 0 EHADRM O=C([O-])CCc1cccc(NCc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000263475614 950482927 /nfs/dbraw/zinc/48/29/27/950482927.db2.gz FILDRVWPTCMIDV-UHFFFAOYSA-N -1 0 347.798 3.741 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N2CC3(CCC3)c3ccccc32)cc1 ZINC000263497299 950493254 /nfs/dbraw/zinc/49/32/54/950493254.db2.gz UDQHQDMGJHSCES-UHFFFAOYSA-N -1 0 336.391 3.536 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N[C@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000263581490 950514062 /nfs/dbraw/zinc/51/40/62/950514062.db2.gz XGCLGRVJIPDAIP-LMMKCTJWSA-N -1 0 335.403 3.568 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CC[C@@H](CC(C)(C)C)C1)CC(=O)[O-] ZINC000307839107 950622159 /nfs/dbraw/zinc/62/21/59/950622159.db2.gz YGRDNZONICRMIY-GJZGRUSLSA-N -1 0 326.481 3.591 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NCC(c1ccccc1)c1ccccc1 ZINC001602852319 971689167 /nfs/dbraw/zinc/68/91/67/971689167.db2.gz LPHKPRPHWZGIAR-GOSISDBHSA-N -1 0 339.435 3.682 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1nc2c(cccc2Cl)s1 ZINC001602852735 971692020 /nfs/dbraw/zinc/69/20/20/971692020.db2.gz FONILEJUBLZISZ-VIFPVBQESA-N -1 0 326.805 3.635 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC000315054892 950834223 /nfs/dbraw/zinc/83/42/23/950834223.db2.gz CEARBXHXIOQSNH-SNVBAGLBSA-N -1 0 328.771 3.588 20 0 EHADRM CC(C)(C)[C@H]1CCc2nc(NC(=O)C3(C(=O)[O-])CC=CC3)sc2C1 ZINC001602854263 971701322 /nfs/dbraw/zinc/70/13/22/971701322.db2.gz AGXJQWHYESCNMM-NSHDSACASA-N -1 0 348.468 3.654 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC000320876397 951004861 /nfs/dbraw/zinc/00/48/61/951004861.db2.gz SIYOXHDTGOSDKE-UHFFFAOYSA-N -1 0 330.727 3.740 20 0 EHADRM CCN(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1C(=O)[O-] ZINC000322158475 951025603 /nfs/dbraw/zinc/02/56/03/951025603.db2.gz VEOFXJUVEIQNOO-UHFFFAOYSA-N -1 0 331.799 3.629 20 0 EHADRM COc1ccc(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)cc1Cl ZINC000322130511 951026264 /nfs/dbraw/zinc/02/62/64/951026264.db2.gz DURZFSZVAXZQMK-NSHDSACASA-N -1 0 342.823 3.607 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)nc1 ZINC000322330004 951029169 /nfs/dbraw/zinc/02/91/69/951029169.db2.gz VTLXEIDMWZQPQP-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)N[C@H](C2CCC2)C2CCCCC2)C1 ZINC001594988452 951036613 /nfs/dbraw/zinc/03/66/13/951036613.db2.gz HWNKADKNKXXNOY-KDOFPFPSSA-N -1 0 336.476 3.632 20 0 EHADRM Cc1noc(C)c1CCC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000324046003 951058709 /nfs/dbraw/zinc/05/87/09/951058709.db2.gz SOFVHSLROIQGDF-UHFFFAOYSA-N -1 0 348.424 3.501 20 0 EHADRM Cc1ccc2c(CC(=O)NC[C@H](CC(=O)[O-])CC(C)C)coc2c1 ZINC000325170889 951082349 /nfs/dbraw/zinc/08/23/49/951082349.db2.gz SHWLGJFPVAGMGD-AWEZNQCLSA-N -1 0 331.412 3.537 20 0 EHADRM COc1ccc(S[C@H](C)C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000340201285 951130624 /nfs/dbraw/zinc/13/06/24/951130624.db2.gz FKTIIQBCWLHDHQ-LLVKDONJSA-N -1 0 331.393 3.513 20 0 EHADRM Cc1cc2[nH]c(C(=O)N3CCc4ccccc4[C@H]3C(=O)[O-])cc2c(C)c1 ZINC000362680079 951136327 /nfs/dbraw/zinc/13/63/27/951136327.db2.gz HELAWNKZJYNDQX-IBGZPJMESA-N -1 0 348.402 3.609 20 0 EHADRM CC(C)(C)CCCCNC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001602861908 971726627 /nfs/dbraw/zinc/72/66/27/971726627.db2.gz SZRXQHNCTXYPMV-MRXNPFEDSA-N -1 0 332.444 3.596 20 0 EHADRM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1cccnc1C(=O)[O-] ZINC000385291459 951279721 /nfs/dbraw/zinc/27/97/21/951279721.db2.gz FYJZJPUEHHLXOE-CYBMUJFWSA-N -1 0 339.395 3.612 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cc(Cl)ccc2Cl)CC[C@H]1C(=O)[O-] ZINC000385698853 951282836 /nfs/dbraw/zinc/28/28/36/951282836.db2.gz HUJULZKKVSZGBQ-WCBMZHEXSA-N -1 0 331.199 3.568 20 0 EHADRM O=C([O-])CN(CC1CC1)C(=O)c1sc2cc(F)ccc2c1Cl ZINC000387423451 951316053 /nfs/dbraw/zinc/31/60/53/951316053.db2.gz GTNUTMZZDDAYNF-UHFFFAOYSA-N -1 0 341.791 3.631 20 0 EHADRM CCOc1ccc2nc(NC(=O)[C@H](C(=O)[O-])C3CCCC3)sc2c1 ZINC001592815660 951366092 /nfs/dbraw/zinc/36/60/92/951366092.db2.gz HZXKOPKOBKUVTE-CQSZACIVSA-N -1 0 348.424 3.525 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1Cc1c(F)c(F)c(F)c(F)c1F ZINC000390883159 951389665 /nfs/dbraw/zinc/38/96/65/951389665.db2.gz VISAXCMZKMEVPX-QMMMGPOBSA-N -1 0 337.288 3.601 20 0 EHADRM O=C([O-])CCCCC(=O)Oc1ccc(NC(=O)c2cccs2)cc1 ZINC001595035184 951399888 /nfs/dbraw/zinc/39/98/88/951399888.db2.gz ZVKROWSKTVOWCA-UHFFFAOYSA-N -1 0 347.392 3.551 20 0 EHADRM CC(C)C[C@H](CNc1ccc([N+](=O)[O-])c2cnccc12)CC(=O)[O-] ZINC000391816797 951405966 /nfs/dbraw/zinc/40/59/66/951405966.db2.gz QYBVIZVSKIFXND-LBPRGKRZSA-N -1 0 331.372 3.692 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)c1 ZINC000397086843 951519126 /nfs/dbraw/zinc/51/91/26/951519126.db2.gz JBKHNEMSVMBHQF-RDBSUJKOSA-N -1 0 334.416 3.581 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@H]2C[C@@]2(F)c2ccccc2)c1 ZINC001595063357 951524055 /nfs/dbraw/zinc/52/40/55/951524055.db2.gz RPSGGDJXNGINDB-VQIMIIECSA-N -1 0 327.355 3.527 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2nc3ccccc3s2)c1 ZINC001595066814 951557680 /nfs/dbraw/zinc/55/76/80/951557680.db2.gz WLHXIXKLRHWJTG-UHFFFAOYSA-N -1 0 326.377 3.566 20 0 EHADRM C[C@H](NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)[C@H]1CC2CCC1CC2 ZINC000381735813 971773642 /nfs/dbraw/zinc/77/36/42/971773642.db2.gz TXQMABGPUHHKAW-RXVBYEJPSA-N -1 0 344.455 3.741 20 0 EHADRM O=C([O-])COc1cccc(C(=O)O[C@H]2CCCc3cc(F)ccc32)c1 ZINC001595123526 951987461 /nfs/dbraw/zinc/98/74/61/951987461.db2.gz GPKMOTGRYAEXKL-KRWDZBQOSA-N -1 0 344.338 3.524 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)NCC[C@H]2CCc3ccccc32)c1 ZINC001595131838 952036209 /nfs/dbraw/zinc/03/62/09/952036209.db2.gz OETMLAWCDOXMQQ-MRXNPFEDSA-N -1 0 338.407 3.555 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)NCCC2(c3ccccc3)CC2)c1 ZINC001595131939 952038105 /nfs/dbraw/zinc/03/81/05/952038105.db2.gz VWVPVVVAWWCRQG-UHFFFAOYSA-N -1 0 338.407 3.557 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)[C@H]1[C@@H]3CCCCCC[C@@H]31)COCC2 ZINC001595206249 952328212 /nfs/dbraw/zinc/32/82/12/952328212.db2.gz DKNLFBUTFAEVSE-YABSGUDNSA-N -1 0 349.452 3.674 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)ccn1 ZINC001595209708 952359384 /nfs/dbraw/zinc/35/93/84/952359384.db2.gz UHXYAPCLIBBMIA-UHFFFAOYSA-N -1 0 349.346 3.565 20 0 EHADRM CC[C@@H](NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)C1CCCC1 ZINC000382804876 971833965 /nfs/dbraw/zinc/83/39/65/971833965.db2.gz ARAWTYGDPNINTO-CYBMUJFWSA-N -1 0 326.343 3.753 20 0 EHADRM CCCN(Cc1ccccc1)C(=O)Nc1ccc(OC)cc1C(=O)[O-] ZINC000383722272 971889474 /nfs/dbraw/zinc/88/94/74/971889474.db2.gz KXSADKVFUWUFFF-UHFFFAOYSA-N -1 0 342.395 3.838 20 0 EHADRM CC(C)(C)c1ccc(C(=O)Nc2nc3ccccn3c2C(=O)[O-])s1 ZINC001602923127 971885224 /nfs/dbraw/zinc/88/52/24/971885224.db2.gz SVKPUXRTHXNASK-UHFFFAOYSA-N -1 0 343.408 3.644 20 0 EHADRM CC[C@@H](CC(F)(F)F)C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000402538846 953356247 /nfs/dbraw/zinc/35/62/47/953356247.db2.gz ZJBWQVSOIMKLFA-CMPLNLGQSA-N -1 0 329.318 3.570 20 0 EHADRM O=C([O-])CCCCCNC(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000414628976 953403619 /nfs/dbraw/zinc/40/36/19/953403619.db2.gz PVUUMIUTZRVTJM-KRWDZBQOSA-N -1 0 330.428 3.568 20 0 EHADRM CCCOc1cc(CNc2cccc(CC(=O)[O-])c2)ccc1OC ZINC000414640091 953406879 /nfs/dbraw/zinc/40/68/79/953406879.db2.gz RDAFUXCNZHLMNF-UHFFFAOYSA-N -1 0 329.396 3.723 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cc(F)ccc1OC(C)C)C(=O)[O-] ZINC000424382680 953452758 /nfs/dbraw/zinc/45/27/58/953452758.db2.gz OROHSGFHMZAXOO-UHFFFAOYSA-N -1 0 340.395 3.625 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cc(F)c(SC)c(F)c1)C(=O)[O-] ZINC000424384131 953452954 /nfs/dbraw/zinc/45/29/54/953452954.db2.gz REPCMGCXZZDWGR-UHFFFAOYSA-N -1 0 346.399 3.699 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)CCOc1cc(C)ccc1C(C)C)C(=O)[O-] ZINC001593609559 953453888 /nfs/dbraw/zinc/45/38/88/953453888.db2.gz UJHKCHWTHFFWIP-KSSFIOAISA-N -1 0 335.444 3.503 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc(C)c(OC(F)F)c1)C(=O)[O-] ZINC000424386273 953455328 /nfs/dbraw/zinc/45/53/28/953455328.db2.gz VDDUOHPUQVGOBG-UHFFFAOYSA-N -1 0 344.358 3.609 20 0 EHADRM CC[C@@H](C)Oc1cc(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)ccn1 ZINC000431651592 953502498 /nfs/dbraw/zinc/50/24/98/953502498.db2.gz LNKOCIYKSKWTOS-GFCCVEGCSA-N -1 0 328.368 3.518 20 0 EHADRM CC[C@H](NC(=O)[C@@H]1CCCC[C@H]1c1nc2ccccc2s1)C(=O)[O-] ZINC001593618915 953514373 /nfs/dbraw/zinc/51/43/73/953514373.db2.gz QNIJBHOLXZPALC-UPJWGTAASA-N -1 0 346.452 3.550 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)CCC1 ZINC000514584756 953536368 /nfs/dbraw/zinc/53/63/68/953536368.db2.gz RDMRKUIOGOLGLU-UHFFFAOYSA-N -1 0 343.354 3.598 20 0 EHADRM C[C@@H]1CC(C)(C)c2cccc(NC(=O)[C@@H]3CO[C@H](CCC(=O)[O-])C3)c21 ZINC001589284282 953543400 /nfs/dbraw/zinc/54/34/00/953543400.db2.gz DLPCKPZMHWAAOS-HZSPNIEDSA-N -1 0 345.439 3.680 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)N1CCC[C@@H](CC(=O)[O-])C1)C(C)C ZINC000519529230 953549958 /nfs/dbraw/zinc/54/99/58/953549958.db2.gz RATAIZXWTBYNPV-YJBOKZPZSA-N -1 0 332.444 3.588 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2cnc3ccsc3c2)c1 ZINC000527511821 953555984 /nfs/dbraw/zinc/55/59/84/953555984.db2.gz DWPGWYUCPJQIGL-UHFFFAOYSA-N -1 0 326.377 3.566 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)NC2(c3cccc(Cl)c3)CC2)c1 ZINC001594771628 953563026 /nfs/dbraw/zinc/56/30/26/953563026.db2.gz KPISOSKVFMXBOG-UHFFFAOYSA-N -1 0 344.798 3.527 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)/C(=C/c1ccccc1)C(F)(F)F ZINC001594774376 953582360 /nfs/dbraw/zinc/58/23/60/953582360.db2.gz UBIJAVNYQPJZBP-GDNBJRDFSA-N -1 0 349.308 3.647 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)c1ccc(OC2CCCC2)cc1 ZINC001594776666 953587366 /nfs/dbraw/zinc/58/73/66/953587366.db2.gz NNGXIQDJKBHWNS-UHFFFAOYSA-N -1 0 339.391 3.636 20 0 EHADRM CCc1ccc(Br)c(NC(=O)C2(CC(=O)[O-])CCC2)c1 ZINC001593633570 953593340 /nfs/dbraw/zinc/59/33/40/953593340.db2.gz GTODAWSLPHXRKO-UHFFFAOYSA-N -1 0 340.217 3.595 20 0 EHADRM CCc1ccc([C@@H]2CCN(C(=O)C3(C(=O)[O-])C(C)(C)C3(C)C)C2)cc1 ZINC001593636635 953612304 /nfs/dbraw/zinc/61/23/04/953612304.db2.gz GVTFUWUOHKZWLM-MRXNPFEDSA-N -1 0 343.467 3.702 20 0 EHADRM CCc1ccc(CCNC(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC001593637935 953624034 /nfs/dbraw/zinc/62/40/34/953624034.db2.gz VCWSOODGVXZXFX-UHFFFAOYSA-N -1 0 340.423 3.630 20 0 EHADRM CCc1cccc2c1OCC[C@@H]2NC(=O)Nc1ccccc1C(=O)[O-] ZINC001593641782 953648608 /nfs/dbraw/zinc/64/86/08/953648608.db2.gz INKDNKCIVZBVJY-INIZCTEOSA-N -1 0 340.379 3.593 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)C3(CC(=O)[O-])CCC3)ccc2o1 ZINC000574400858 953678560 /nfs/dbraw/zinc/67/85/60/953678560.db2.gz YZSIJPUUQHLZAP-UHFFFAOYSA-N -1 0 330.384 3.709 20 0 EHADRM COc1ccc2oc([C@@H](C)NC(=O)C3(CC(=O)[O-])CCC3)c(C)c2c1 ZINC000575922883 953685607 /nfs/dbraw/zinc/68/56/07/953685607.db2.gz MTPXIGNNGFMTJF-GFCCVEGCSA-N -1 0 345.395 3.572 20 0 EHADRM CCc1nc2ccc(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])cc2s1 ZINC001593650596 953706043 /nfs/dbraw/zinc/70/60/43/953706043.db2.gz AGECQXBWYPVCRT-NSHDSACASA-N -1 0 349.456 3.727 20 0 EHADRM Cc1c(NC(=O)C2(CC(=O)[O-])CCC2)cccc1OCC(F)(F)F ZINC000580436508 953714650 /nfs/dbraw/zinc/71/46/50/953714650.db2.gz ZRKWNCMZPOCFNI-UHFFFAOYSA-N -1 0 345.317 3.520 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC001589303569 953714767 /nfs/dbraw/zinc/71/47/67/953714767.db2.gz UXLWZGBTNSDRLS-JSGCOSHPSA-N -1 0 336.391 3.646 20 0 EHADRM C[C@H]1CCN(C(=O)c2sccc2-c2ccccc2)C[C@H]1C(=O)[O-] ZINC000583934416 953730034 /nfs/dbraw/zinc/73/00/34/953730034.db2.gz FHPPVURYIHJRPJ-SWLSCSKDSA-N -1 0 329.421 3.598 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1cccc2c1OC(C)(C)C=C2 ZINC001589305390 953733376 /nfs/dbraw/zinc/73/33/76/953733376.db2.gz POVLSUHUAQFUME-OCCSQVGLSA-N -1 0 344.411 3.588 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000591562777 953742511 /nfs/dbraw/zinc/74/25/11/953742511.db2.gz XGHQLTMIUVEBIA-NWDGAFQWSA-N -1 0 347.436 3.621 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001589310488 953786786 /nfs/dbraw/zinc/78/67/86/953786786.db2.gz PLLDXWAPGOURMH-UMVBOHGHSA-N -1 0 333.432 3.610 20 0 EHADRM C[C@@H](NC(=O)c1cscc1C(F)(F)F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000621708148 953795902 /nfs/dbraw/zinc/79/59/02/953795902.db2.gz KETLXNHTIRBPRF-FKTZTGRPSA-N -1 0 349.374 3.632 20 0 EHADRM O=C([O-])c1cc(NC(=O)Nc2cccc(CC(F)(F)F)c2)ccn1 ZINC001594808725 953796430 /nfs/dbraw/zinc/79/64/30/953796430.db2.gz AXDBSZRFYIACAB-UHFFFAOYSA-N -1 0 339.273 3.529 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N[C@H]2C[C@H](c3ccccc3F)C2)c1 ZINC001594808903 953797567 /nfs/dbraw/zinc/79/75/67/953797567.db2.gz GAIGLZPEBKZXFI-MQMHXKEQSA-N -1 0 328.343 3.592 20 0 EHADRM CCCCN(C(=O)Cc1ccccc1C(=O)[O-])[C@@H]1CCCC[C@H]1OC ZINC000630303166 953852164 /nfs/dbraw/zinc/85/21/64/953852164.db2.gz QXFHWTXPNAWPSF-QZTJIDSGSA-N -1 0 347.455 3.514 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2nc3c(s2)c(Cl)ccc3F)C1 ZINC001594818038 953881773 /nfs/dbraw/zinc/88/17/73/953881773.db2.gz DOCUBSOCOLBERQ-NKWVEPMBSA-N -1 0 342.779 3.528 20 0 EHADRM CC1CCC(C)(CNC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)CC1 ZINC001589323053 953883398 /nfs/dbraw/zinc/88/33/98/953883398.db2.gz GMANHBJCLWYANN-RGKRWLCDSA-N -1 0 346.471 3.545 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)N[C@@H]2CCCC23CC3)CC1 ZINC000635520769 953891446 /nfs/dbraw/zinc/89/14/46/953891446.db2.gz IPUYRUGQPSJUJO-QGZVFWFLSA-N -1 0 342.439 3.607 20 0 EHADRM C[C@@H]1CCCN(C(=O)CCc2ccc(Cl)c(Cl)c2)[C@@H]1C(=O)[O-] ZINC001589326071 953911219 /nfs/dbraw/zinc/91/12/19/953911219.db2.gz PSQZSWKQDSIPMN-BMIGLBTASA-N -1 0 344.238 3.638 20 0 EHADRM C[C@@H](c1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])cc1)C(F)(F)F ZINC001589330245 953947919 /nfs/dbraw/zinc/94/79/19/953947919.db2.gz XHRNWKLXBNADOL-UHIISALHSA-N -1 0 343.345 3.678 20 0 EHADRM CN(C(=O)Nc1cncc(C(=O)[O-])c1)[C@H]1CCC[C@H]1c1ccccc1 ZINC001593680981 953951924 /nfs/dbraw/zinc/95/19/24/953951924.db2.gz GFYRZBTXNPVOHZ-IRXDYDNUSA-N -1 0 339.395 3.580 20 0 EHADRM C[C@@H]1CCN(C(=O)C(C)(C)CCCc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000647755517 953976159 /nfs/dbraw/zinc/97/61/59/953976159.db2.gz NJWKAMCUAFAMDK-WBVHZDCISA-N -1 0 331.456 3.605 20 0 EHADRM O=C([O-])[C@H](C(=O)NC[C@@H]1CCC[C@@H]1c1ccccc1)C1CCCC1 ZINC001594834037 954012728 /nfs/dbraw/zinc/01/27/28/954012728.db2.gz VDTNOXQZMNDWSL-KSZLIROESA-N -1 0 329.440 3.578 20 0 EHADRM C[C@@H]1CCN(C(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)C[C@H]1C(=O)[O-] ZINC001589343561 954032610 /nfs/dbraw/zinc/03/26/10/954032610.db2.gz HUYICUXUTZFQME-VDHUWJSZSA-N -1 0 329.440 3.530 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1ccc(N2CCCCCCC2)c(F)c1)C1CC1 ZINC001594837719 954041709 /nfs/dbraw/zinc/04/17/09/954041709.db2.gz OICBWTZXWIDEIY-KRWDZBQOSA-N -1 0 348.418 3.646 20 0 EHADRM O=C([O-])[C@@H](Sc1nc(C(F)(F)F)nc2ccccc21)C1CC1 ZINC001594842690 954093608 /nfs/dbraw/zinc/09/36/08/954093608.db2.gz GAWNODSVACQLEE-JTQLQIEISA-N -1 0 328.315 3.604 20 0 EHADRM O=C([O-])[C@H](Sc1nc2cc(Br)ccc2o1)C1CC1 ZINC001594843187 954099207 /nfs/dbraw/zinc/09/92/07/954099207.db2.gz JJWBTOOVZAROMA-SNVBAGLBSA-N -1 0 328.187 3.546 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)[C@@H](c2ccccc2)C2CC2)c2ccccc21 ZINC000653327911 954155787 /nfs/dbraw/zinc/15/57/87/954155787.db2.gz BEYBTSXDBLWWFT-QRVBRYPASA-N -1 0 335.403 3.610 20 0 EHADRM Cc1ccc(SCC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000653333183 954163768 /nfs/dbraw/zinc/16/37/68/954163768.db2.gz MAQNSAHGWQKCTL-IAGOWNOFSA-N -1 0 341.432 3.517 20 0 EHADRM CCc1sc(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1C ZINC000653333673 954165217 /nfs/dbraw/zinc/16/52/17/954165217.db2.gz RRIYTTIVSIAGPF-ZIAGYGMSSA-N -1 0 329.421 3.662 20 0 EHADRM CC(C)(C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21)c1cccc(F)c1 ZINC000653335155 954167007 /nfs/dbraw/zinc/16/70/07/954167007.db2.gz MXPSGCIBWMFCQZ-IRXDYDNUSA-N -1 0 341.382 3.533 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000653338886 954171758 /nfs/dbraw/zinc/17/17/58/954171758.db2.gz PLDNYTYXNZCKDI-SFHVURJKSA-N -1 0 325.408 3.530 20 0 EHADRM C[C@@H]1CCc2c(sc3ncnc(NC4(CC(=O)[O-])CCC4)c32)C1 ZINC001589364219 954176122 /nfs/dbraw/zinc/17/61/22/954176122.db2.gz PRZLSYAUARRJJM-SNVBAGLBSA-N -1 0 331.441 3.625 20 0 EHADRM CC(C)[C@H](CNC(=O)Nc1ccccc1N1CCCCCC1)C(=O)[O-] ZINC000653535412 954182588 /nfs/dbraw/zinc/18/25/88/954182588.db2.gz QVVHCJNUNRVIJM-HNNXBMFYSA-N -1 0 347.459 3.545 20 0 EHADRM COc1cc(NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c(C)cc1C ZINC000653544614 954192555 /nfs/dbraw/zinc/19/25/55/954192555.db2.gz DYKUCHLYCZJXQE-HZSPNIEDSA-N -1 0 348.443 3.569 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(F)F)cc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655575086 954213010 /nfs/dbraw/zinc/21/30/10/954213010.db2.gz YSQNPERHKRKXTA-KPXOXKRLSA-N -1 0 343.345 3.629 20 0 EHADRM O=C([O-])C1(C(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)CCCCC1 ZINC001594854884 954218822 /nfs/dbraw/zinc/21/88/22/954218822.db2.gz WAZYJJPJCSJPKY-GOEBONIOSA-N -1 0 333.403 3.613 20 0 EHADRM C[C@@H](NC(=O)NCC[C@H](C)c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655867162 954252569 /nfs/dbraw/zinc/25/25/69/954252569.db2.gz VIKXRPKHGGSZBD-HDEZJCGLSA-N -1 0 346.471 3.615 20 0 EHADRM C[C@@H](CNC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1)C(=O)[O-] ZINC000655884687 954266933 /nfs/dbraw/zinc/26/69/33/954266933.db2.gz JJDHUYPUMHSDLG-WFASDCNBSA-N -1 0 338.835 3.687 20 0 EHADRM CCC(CC)CN(CC)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655907498 954290196 /nfs/dbraw/zinc/29/01/96/954290196.db2.gz PYMLWCFXAYKXEV-AEGPPILISA-N -1 0 326.481 3.590 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C2[C@H]3CCCCCC[C@H]23)C[C@H]1c1ccccc1 ZINC000659150127 954311508 /nfs/dbraw/zinc/31/15/08/954311508.db2.gz USCFXLLLZDZLDI-XLAORIBOSA-N -1 0 341.451 3.530 20 0 EHADRM CC1(CC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)CCCCC1 ZINC000659150135 954311632 /nfs/dbraw/zinc/31/16/32/954311632.db2.gz UZGHPEKQTULCNS-DLBZAZTESA-N -1 0 329.440 3.674 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC[C@H]1C(=O)[O-] ZINC001589391027 954320536 /nfs/dbraw/zinc/32/05/36/954320536.db2.gz BMYQKOGPSXYQRB-PSASIEDQSA-N -1 0 349.736 3.542 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2ccc(Nc3ccccc3)cn2)CC=CCC1 ZINC001594870652 954350996 /nfs/dbraw/zinc/35/09/96/954350996.db2.gz UNADUEYYCYJYOQ-IBGZPJMESA-N -1 0 337.379 3.575 20 0 EHADRM CCCN(CC1CCCCC1)C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000659754124 954355665 /nfs/dbraw/zinc/35/56/65/954355665.db2.gz PILUIDROJJBAJQ-UHFFFAOYSA-N -1 0 333.428 3.583 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc(Cl)cc3ccccc32)C[C@@H]1C(=O)[O-] ZINC000663057176 954426847 /nfs/dbraw/zinc/42/68/47/954426847.db2.gz GKERFDLOPMBKBK-ZBEGNZNMSA-N -1 0 331.799 3.676 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc3nc(C4CC4)sc3c2)CC=CC1 ZINC000663076254 954452524 /nfs/dbraw/zinc/45/25/24/954452524.db2.gz VWCURVZMXJCCSU-UHFFFAOYSA-N -1 0 328.393 3.533 20 0 EHADRM CC(C)c1cccc(N(C)C(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000663090039 954471196 /nfs/dbraw/zinc/47/11/96/954471196.db2.gz PZERAOWVCGUUHN-UHFFFAOYSA-N -1 0 327.380 3.550 20 0 EHADRM Cc1cc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)ccc1OCC(F)(F)F ZINC000663091837 954473369 /nfs/dbraw/zinc/47/33/69/954473369.db2.gz KWXBRJZHSFVWML-GFCCVEGCSA-N -1 0 347.333 3.622 20 0 EHADRM Cc1cc2cc(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)ccc2[nH]1 ZINC000663344979 954539136 /nfs/dbraw/zinc/53/91/36/954539136.db2.gz FZIBFZLITJUHRN-ZDUSSCGKSA-N -1 0 331.416 3.735 20 0 EHADRM CC(C)[C@]1(C)C[C@@H]1NC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666552055 954559094 /nfs/dbraw/zinc/55/90/94/954559094.db2.gz ZAFBWJSFOJXATR-PXNSSMCTSA-N -1 0 344.455 3.708 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)C2(c3cccs3)CCCCC2)C1 ZINC000676216054 954584174 /nfs/dbraw/zinc/58/41/74/954584174.db2.gz DVBGBALLQGUHPM-AWEZNQCLSA-N -1 0 335.469 3.663 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)N2CC=CC23CCCCC3)c2ccccc21 ZINC001594899995 954617420 /nfs/dbraw/zinc/61/74/20/954617420.db2.gz GQFBRERGZAUPSO-IRXDYDNUSA-N -1 0 340.423 3.584 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(F)(F)F)C2)c2ccccc21 ZINC001594914551 954731397 /nfs/dbraw/zinc/73/13/97/954731397.db2.gz KLVSDNOFENQBIF-DMDPSCGWSA-N -1 0 341.329 3.570 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)c2cc3cccnc3s2)c2ccccc21 ZINC001594927839 954821313 /nfs/dbraw/zinc/82/13/13/954821313.db2.gz MRVOGBAWYDKFLQ-ZDUSSCGKSA-N -1 0 338.388 3.515 20 0 EHADRM CC(C)C[C@H](C)OCCC(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC001603002454 972046474 /nfs/dbraw/zinc/04/64/74/972046474.db2.gz RWOFRMRIWQHLSM-AWEZNQCLSA-N -1 0 333.428 3.505 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)c2cccc3ccsc32)cc1 ZINC000386339326 972046731 /nfs/dbraw/zinc/04/67/31/972046731.db2.gz RLLQQGZEECJMHU-UHFFFAOYSA-N -1 0 325.389 3.572 20 0 EHADRM CC[C@H](C)[C@H](OC)C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001589457895 954848131 /nfs/dbraw/zinc/84/81/31/954848131.db2.gz UIZQHQLITAIQSD-BHDSKKPTSA-N -1 0 339.457 3.571 20 0 EHADRM CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001589462415 954862990 /nfs/dbraw/zinc/86/29/90/954862990.db2.gz DMNZBLOVLBUAKE-RDTXWAMCSA-N -1 0 347.455 3.680 20 0 EHADRM CC(C)CC(=O)Nc1ccc(NC(=O)C2(C(=O)[O-])CCCCC2)cc1 ZINC001603003132 972053411 /nfs/dbraw/zinc/05/34/11/972053411.db2.gz YCKIXXQTQDRPGC-UHFFFAOYSA-N -1 0 346.427 3.645 20 0 EHADRM CCC(CC)(CNC(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1)C(=O)[O-] ZINC001589489101 955004843 /nfs/dbraw/zinc/00/48/43/955004843.db2.gz XWODVIOUXRNUNK-DOTOQJQBSA-N -1 0 346.471 3.713 20 0 EHADRM CC1(C)CCC(=CC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)CC1 ZINC000761946814 955312970 /nfs/dbraw/zinc/31/29/70/955312970.db2.gz MNLXITLMONUUKC-KRWDZBQOSA-N -1 0 327.424 3.724 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)/C=C/c2ccc(Cl)s2)c1 ZINC000386895439 972089030 /nfs/dbraw/zinc/08/90/30/972089030.db2.gz BEXFADOSFARVQX-FNORWQNLSA-N -1 0 337.784 3.517 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)NCc1ccccc1C(=O)[O-] ZINC001589013426 955402901 /nfs/dbraw/zinc/40/29/01/955402901.db2.gz AXLNCDNJAZHUDO-OAHLLOKOSA-N -1 0 325.408 3.660 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)NCc1ccccc1C(=O)[O-] ZINC001589013425 955403734 /nfs/dbraw/zinc/40/37/34/955403734.db2.gz AXLNCDNJAZHUDO-HNNXBMFYSA-N -1 0 325.408 3.660 20 0 EHADRM CC(C)C[C@@H](NC(=O)C1(c2cccc(Cl)c2)CC(C)C1)C(=O)[O-] ZINC001603032945 972094790 /nfs/dbraw/zinc/09/47/90/972094790.db2.gz YNNUNSGGPWRFSN-HBSPSFQMSA-N -1 0 337.847 3.623 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)Nc2ccccc2SC(F)(F)F)C1 ZINC000843318800 955627594 /nfs/dbraw/zinc/62/75/94/955627594.db2.gz PMUBMWAFSSCGEH-BDAKNGLRSA-N -1 0 348.346 3.673 20 0 EHADRM CC(C)(NC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)C1CCCCC1 ZINC001589050870 955662442 /nfs/dbraw/zinc/66/24/42/955662442.db2.gz TYYQNALCMITQAW-HXUWFJFHSA-N -1 0 346.471 3.687 20 0 EHADRM CC[C@H](C)N(Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC000387389383 972121240 /nfs/dbraw/zinc/12/12/40/972121240.db2.gz OTHNPXWDNYTKAU-ZDUSSCGKSA-N -1 0 327.384 3.612 20 0 EHADRM CC(C)Cc1ccccc1CNC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001603054424 972121280 /nfs/dbraw/zinc/12/12/80/972121280.db2.gz UVXGJIGJYRIZGM-UHFFFAOYSA-N -1 0 340.423 3.583 20 0 EHADRM C[C@@H](NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1cccc(Cl)c1Cl ZINC001589107966 956036349 /nfs/dbraw/zinc/03/63/49/956036349.db2.gz COCHIKAQDSCURS-BBBLOLIVSA-N -1 0 345.226 3.607 20 0 EHADRM C[C@H](NC(=O)Nc1ccc2occc2c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589108090 956039156 /nfs/dbraw/zinc/03/91/56/956039156.db2.gz FFNIWNXNAZRQHQ-LEWSCRJBSA-N -1 0 330.384 3.690 20 0 EHADRM C[C@@](NCc1cc2cc(Cl)cnc2o1)(C(=O)[O-])c1ccccc1 ZINC001589128672 956183728 /nfs/dbraw/zinc/18/37/28/956183728.db2.gz LIPYDTSOKSZKFK-KRWDZBQOSA-N -1 0 330.771 3.571 20 0 EHADRM CC1(C)Cc2cc(NC(=O)N3CCCC[C@H]3CCC(=O)[O-])ccc2O1 ZINC000899310410 956278219 /nfs/dbraw/zinc/27/82/19/956278219.db2.gz DMFADUKHBXXFOH-HNNXBMFYSA-N -1 0 346.427 3.651 20 0 EHADRM CCCOc1cccc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000899309247 956279269 /nfs/dbraw/zinc/27/92/69/956279269.db2.gz VSYXAEKIXSEIMG-HNNXBMFYSA-N -1 0 334.416 3.727 20 0 EHADRM CC(C)(CC(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21)CC(F)F ZINC000901637261 956396469 /nfs/dbraw/zinc/39/64/69/956396469.db2.gz ULIMJALSTZJFIR-GFCCVEGCSA-N -1 0 325.355 3.663 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC001589168677 956445963 /nfs/dbraw/zinc/44/59/63/956445963.db2.gz LJEXPLASJJKCOQ-XQQFMLRXSA-N -1 0 331.437 3.612 20 0 EHADRM CN(Cc1ccsc1Br)C1(C(=O)[O-])CCCCC1 ZINC000388739493 972188906 /nfs/dbraw/zinc/18/89/06/972188906.db2.gz JCOUUCJKWMROQL-UHFFFAOYSA-N -1 0 332.263 3.730 20 0 EHADRM CCCN(CCc1cccc(F)c1)C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC000901849542 956501607 /nfs/dbraw/zinc/50/16/07/956501607.db2.gz XKOOMLWKIRBOCA-VOTSOKGWSA-N -1 0 345.370 3.611 20 0 EHADRM C[C@H](c1ccccc1)N(C(=O)Nc1cc(C(=O)[O-])ccn1)C1CC1 ZINC001589177446 956513334 /nfs/dbraw/zinc/51/33/34/956513334.db2.gz SDIXGYWFRWTRAC-GFCCVEGCSA-N -1 0 325.368 3.537 20 0 EHADRM Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000902018072 956609466 /nfs/dbraw/zinc/60/94/66/956609466.db2.gz SSWFCNBLVUXDBI-WJFTUGDTSA-N -1 0 335.403 3.528 20 0 EHADRM O=C(/C=C/Sc1ccccc1)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001594670932 956616906 /nfs/dbraw/zinc/61/69/06/956616906.db2.gz VKXUJYWTFDKGFI-XXRWXEQKSA-N -1 0 339.416 3.722 20 0 EHADRM O=C(/C=C/c1ccc(C(=O)[O-])o1)Nc1ccc(-c2ccccn2)cc1 ZINC001594673813 956639914 /nfs/dbraw/zinc/63/99/14/956639914.db2.gz LHNSWZQAYUXEOQ-PKNBQFBNSA-N -1 0 334.331 3.692 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(c2oc(-c3ccccc3)nc2C(F)(F)F)C1 ZINC001589203219 956646851 /nfs/dbraw/zinc/64/68/51/956646851.db2.gz KDYWDJNJBPYXSI-HNNXBMFYSA-N -1 0 340.301 3.661 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1cccc(COc2ccccc2)c1 ZINC001589217379 956733936 /nfs/dbraw/zinc/73/39/36/956733936.db2.gz IMHSGVZEPMPHRB-HXUWFJFHSA-N -1 0 339.391 3.705 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCCc1ccc(-c2ccccc2)cc1 ZINC001589217466 956735203 /nfs/dbraw/zinc/73/52/03/956735203.db2.gz LGYGXHOBYQXZBN-NRFANRHFSA-N -1 0 337.419 3.513 20 0 EHADRM CC1(C)CC[C@H](NC(=O)NCCCC(=O)[O-])[C@H](c2ccccc2)C1 ZINC001589224001 956780636 /nfs/dbraw/zinc/78/06/36/956780636.db2.gz GFLNIJYLDQIYAX-HOTGVXAUSA-N -1 0 332.444 3.513 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)[C@H](c2ccccc2)C1 ZINC001589224711 956784408 /nfs/dbraw/zinc/78/44/08/956784408.db2.gz NYLPLLABJGKAKN-VVLHAWIVSA-N -1 0 344.455 3.511 20 0 EHADRM C[C@@H](Cc1ccco1)C(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21 ZINC000902820960 956809923 /nfs/dbraw/zinc/80/99/23/956809923.db2.gz VOKYKOFROHOVLT-LSDHHAIUSA-N -1 0 341.407 3.529 20 0 EHADRM CCO[C@H](CC(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21)C(C)C ZINC000902827204 956818187 /nfs/dbraw/zinc/81/81/87/956818187.db2.gz XQROIKFKKONQBP-CRAIPNDOSA-N -1 0 347.455 3.508 20 0 EHADRM N#C/C(=C\c1csc(-c2cccc(Br)c2)n1)C(=O)[O-] ZINC000007155625 956880206 /nfs/dbraw/zinc/88/02/06/956880206.db2.gz DFRAKXIQODWBHI-WEVVVXLNSA-N -1 0 335.182 3.564 20 0 EHADRM C[C@H](CCCC(F)(F)F)NC(=O)Nc1ccccc1CC(=O)[O-] ZINC001603141894 972232204 /nfs/dbraw/zinc/23/22/04/972232204.db2.gz GQEYKDNUFZDWPE-SNVBAGLBSA-N -1 0 332.322 3.556 20 0 EHADRM CC(C)CCC[C@H](C)NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000013075685 956928174 /nfs/dbraw/zinc/92/81/74/956928174.db2.gz RUYGPKXJUIEJHG-NSHDSACASA-N -1 0 347.864 3.531 20 0 EHADRM CC[C@H](C)c1ccc(NC(=O)COc2cccc(C(=O)[O-])c2)cc1 ZINC000013079997 956932120 /nfs/dbraw/zinc/93/21/20/956932120.db2.gz XLOPCGUJKWIMHR-ZDUSSCGKSA-N -1 0 327.380 3.916 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000013092278 956942830 /nfs/dbraw/zinc/94/28/30/956942830.db2.gz OORJUKLKCCDNGY-NSHDSACASA-N -1 0 349.839 3.835 20 0 EHADRM COc1cccc(NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)c1C ZINC000904252600 956942951 /nfs/dbraw/zinc/94/29/51/956942951.db2.gz DCNNWJSQXDUIGZ-UHFFFAOYSA-N -1 0 344.411 3.510 20 0 EHADRM CCc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000013173806 956954453 /nfs/dbraw/zinc/95/44/53/956954453.db2.gz WXRFHUSQOWTBNY-INIZCTEOSA-N -1 0 331.799 3.848 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)CSc1ccc(F)c(Cl)c1 ZINC000013230875 956985491 /nfs/dbraw/zinc/98/54/91/956985491.db2.gz OFEDCIQXKDDMGR-UHFFFAOYSA-N -1 0 339.775 3.908 20 0 EHADRM Cc1nc(-c2ccccc2C)sc1C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000908660496 956993446 /nfs/dbraw/zinc/99/34/46/956993446.db2.gz LPNDKUNKTBPJAO-CQSZACIVSA-N -1 0 344.436 3.506 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1 ZINC000013259646 956997041 /nfs/dbraw/zinc/99/70/41/956997041.db2.gz PWVNMGGDMKLEIX-UHFFFAOYSA-N -1 0 334.375 3.997 20 0 EHADRM Cc1ccc(OCCCC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c(C)c1 ZINC000909474381 957019911 /nfs/dbraw/zinc/01/99/11/957019911.db2.gz COILCJXNTOGCNP-KRWDZBQOSA-N -1 0 347.455 3.566 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)CCC[C@@H](O)c2ccccc2)c1 ZINC000909510401 957026562 /nfs/dbraw/zinc/02/65/62/957026562.db2.gz IMAKZTZJMCFFFU-GOSISDBHSA-N -1 0 341.407 3.546 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)CCC[C@H](O)c2ccccc2)c1 ZINC000909510403 957026576 /nfs/dbraw/zinc/02/65/76/957026576.db2.gz IMAKZTZJMCFFFU-SFHVURJKSA-N -1 0 341.407 3.546 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)Oc2ccc(C(=O)[O-])cc2)cc1 ZINC000013341852 957027050 /nfs/dbraw/zinc/02/70/50/957027050.db2.gz RJNFMOQKTZJSQN-LBPRGKRZSA-N -1 0 334.393 3.666 20 0 EHADRM O=C([O-])c1ccoc1CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC000013416880 957056749 /nfs/dbraw/zinc/05/67/49/957056749.db2.gz XOGKSZLHCSZYMW-UHFFFAOYSA-N -1 0 336.756 3.974 20 0 EHADRM O=C([O-])c1ccoc1CSc1nnc(C2CC2)n1-c1ccccc1 ZINC000013417398 957058252 /nfs/dbraw/zinc/05/82/52/957058252.db2.gz BHYSKMBMLZRIEN-UHFFFAOYSA-N -1 0 341.392 3.728 20 0 EHADRM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)C1(C(=O)[O-])C(C)(C)C1(C)C ZINC001589263461 957067807 /nfs/dbraw/zinc/06/78/07/957067807.db2.gz NFFSKSOJNDNRFM-DZGCQCFKSA-N -1 0 329.440 3.528 20 0 EHADRM CN(C(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1C(=O)[O-] ZINC000013441201 957080791 /nfs/dbraw/zinc/08/07/91/957080791.db2.gz IWJYEYOASOGBJP-UHFFFAOYSA-N -1 0 337.297 3.609 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N3CCc4ccccc4C3)c12 ZINC000020327859 957136544 /nfs/dbraw/zinc/13/65/44/957136544.db2.gz XWJBQZDBKKKEAD-UHFFFAOYSA-N -1 0 339.420 3.569 20 0 EHADRM CCCC[C@H](NC(=O)c1sc2ccccc2c1Cl)C(=O)[O-] ZINC000035095387 957196494 /nfs/dbraw/zinc/19/64/94/957196494.db2.gz KMFHQXGLXJNGIN-JTQLQIEISA-N -1 0 325.817 3.928 20 0 EHADRM O=C([O-])c1sccc1NC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000036977726 957256265 /nfs/dbraw/zinc/25/62/65/957256265.db2.gz SCAVNDITNFOJHH-UHFFFAOYSA-N -1 0 346.191 3.771 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC001261530809 957258057 /nfs/dbraw/zinc/25/80/57/957258057.db2.gz MZWHTZXHJWGYNA-JTQLQIEISA-N -1 0 326.462 3.509 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)c1sc2ccccc2c1Cl)C(=O)[O-] ZINC000037410958 957278738 /nfs/dbraw/zinc/27/87/38/957278738.db2.gz FLSCWVIEBNLUKT-PELKAZGASA-N -1 0 325.817 3.784 20 0 EHADRM CC(C)[C@@H](CNC(=O)N[C@H](C)c1csc2ccccc21)C(=O)[O-] ZINC001263066733 957287965 /nfs/dbraw/zinc/28/79/65/957287965.db2.gz SRTZMLPDCOGSCL-DGCLKSJQSA-N -1 0 334.441 3.618 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)/C=C/c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000037448653 957290387 /nfs/dbraw/zinc/29/03/87/957290387.db2.gz CIKRWELYKOJQFJ-BAJHFZQHSA-N -1 0 330.211 3.622 20 0 EHADRM Cn1c(Cl)c(Cl)cc1C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000037452100 957298442 /nfs/dbraw/zinc/29/84/42/957298442.db2.gz GHLVNKGYIUQWHS-UHFFFAOYSA-N -1 0 347.585 3.936 20 0 EHADRM C[C@@](CNC(=O)/C(F)=C\C1CCCCC1)(C(=O)[O-])c1ccccc1 ZINC001603168102 972266871 /nfs/dbraw/zinc/26/68/71/972266871.db2.gz KUVSHHKVNVDHCH-BAILOTOSSA-N -1 0 333.403 3.579 20 0 EHADRM Cc1ccc(NC(=O)NC[C@@H]2CCCCC2(F)F)cc1C(=O)[O-] ZINC000390205374 972269643 /nfs/dbraw/zinc/26/96/43/972269643.db2.gz WLDLORUYMCQYJM-NSHDSACASA-N -1 0 326.343 3.640 20 0 EHADRM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CC(C)(C)CC(=O)[O-] ZINC000061826381 957585466 /nfs/dbraw/zinc/58/54/66/957585466.db2.gz QVODUTVCMMUTSJ-UHFFFAOYSA-N -1 0 332.227 3.843 20 0 EHADRM Cc1ccc(O[C@H](C)C(=O)Oc2ccc(Cl)cc2C(=O)[O-])cc1 ZINC000066143467 957640374 /nfs/dbraw/zinc/64/03/74/957640374.db2.gz RHQLMOPZUQXZFQ-LLVKDONJSA-N -1 0 334.755 3.720 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NC[C@@H](C)Oc2ccccc2Cl)c1 ZINC001594285596 957775122 /nfs/dbraw/zinc/77/51/22/957775122.db2.gz HXNNXDFAURLNQW-GFCCVEGCSA-N -1 0 347.798 3.544 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2c(Cl)cccc2C(F)(F)F)ccn1 ZINC001574789611 957802157 /nfs/dbraw/zinc/80/21/57/957802157.db2.gz JEYPIEFNPCRFHC-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCSc3cc(Cl)ccc32)cn1 ZINC001574791065 957810251 /nfs/dbraw/zinc/81/02/51/957810251.db2.gz HBZDBRYJPDYQBV-UHFFFAOYSA-N -1 0 348.811 3.576 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CC3(CCCC3)[C@H]2c2ccccc2)nc1 ZINC001574791239 957813022 /nfs/dbraw/zinc/81/30/22/957813022.db2.gz RQNXZZKSMHMCPZ-QGZVFWFLSA-N -1 0 336.391 3.537 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Oc2ccc(F)c3c2C(=O)C[C@H]3C)c1 ZINC001594289526 957816697 /nfs/dbraw/zinc/81/66/97/957816697.db2.gz UTBQVYOJOLTCPK-SNVBAGLBSA-N -1 0 342.322 3.741 20 0 EHADRM Cc1cc(C(F)(F)F)cc(C)c1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001594290320 957827678 /nfs/dbraw/zinc/82/76/78/957827678.db2.gz WCGKGCBCXJKJAC-PWSUYJOCSA-N -1 0 344.333 3.697 20 0 EHADRM Cc1cc(C)cc(OCCC(=O)OCc2ccc(C(=O)[O-])cc2)c1 ZINC001594297442 957877446 /nfs/dbraw/zinc/87/74/46/957877446.db2.gz FBSAEILTDRHMMW-UHFFFAOYSA-N -1 0 328.364 3.514 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000390718838 972300562 /nfs/dbraw/zinc/30/05/62/972300562.db2.gz LAPBRTMHUYKLOB-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)N1CCCC[C@H]1CC1CCC1 ZINC001574815364 957888032 /nfs/dbraw/zinc/88/80/32/957888032.db2.gz QTDCSVMHHXBBSZ-INIZCTEOSA-N -1 0 330.428 3.639 20 0 EHADRM COc1c(Cl)cccc1NC(=O)N[C@H](C(=O)[O-])c1cccc(C)c1 ZINC001594046582 957936112 /nfs/dbraw/zinc/93/61/12/957936112.db2.gz VFXJVUOGWFVZGO-AWEZNQCLSA-N -1 0 348.786 3.604 20 0 EHADRM CC(C)c1ccc(C[C@@H](C)NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC001603200117 972307616 /nfs/dbraw/zinc/30/76/16/972307616.db2.gz UHEVASFUFKYSJI-WBVHZDCISA-N -1 0 346.471 3.637 20 0 EHADRM C[C@@H](C(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccc(F)cc1F ZINC001344360723 958042813 /nfs/dbraw/zinc/04/28/13/958042813.db2.gz XJGPOCZZFZQOEI-LLVKDONJSA-N -1 0 333.334 3.724 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCC(c2ccc3[nH]ccc3c2)CC1 ZINC001346349053 958066304 /nfs/dbraw/zinc/06/63/04/958066304.db2.gz GTMYPXOEFWARDM-UHFFFAOYSA-N -1 0 328.412 3.519 20 0 EHADRM Cc1cc(NC(=O)OC(C)(C)C)cc(NC(=O)C2(C(=O)[O-])CCC2)c1 ZINC001594323818 958145311 /nfs/dbraw/zinc/14/53/11/958145311.db2.gz VFBUXCAQUKDYNC-UHFFFAOYSA-N -1 0 348.399 3.535 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)NCc1ccccc1CC(=O)[O-] ZINC000391301404 972328599 /nfs/dbraw/zinc/32/85/99/972328599.db2.gz VRGFGGRQASSXBK-UHFFFAOYSA-N -1 0 332.787 3.597 20 0 EHADRM Cc1cc2nc(NC(=O)/C=C/c3ccc(C(=O)[O-])o3)sc2cc1F ZINC001594331881 958234291 /nfs/dbraw/zinc/23/42/91/958234291.db2.gz DWYQNEGAUQUDSR-HWKANZROSA-N -1 0 346.339 3.687 20 0 EHADRM COc1ccc([C@@H](C)CCNC(=O)C2(C(=O)[O-])CCCCCC2)cc1 ZINC001594080849 958265010 /nfs/dbraw/zinc/26/50/10/958265010.db2.gz AGYUWXXIQIVNNG-HNNXBMFYSA-N -1 0 347.455 3.730 20 0 EHADRM COc1ccc(CC[C@@H](C)NC(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC001594088517 958334624 /nfs/dbraw/zinc/33/46/24/958334624.db2.gz MVFLJTAFADBSRP-CYBMUJFWSA-N -1 0 342.395 3.536 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC001594349500 958336733 /nfs/dbraw/zinc/33/67/33/958336733.db2.gz JVOGWWWFKYOQDY-IIDMSEBBSA-N -1 0 347.455 3.597 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@H](CC(C)C)C(=O)[O-])c1 ZINC001594349445 958336791 /nfs/dbraw/zinc/33/67/91/958336791.db2.gz GQVQUHAKFPBNGM-GDBMZVCRSA-N -1 0 335.444 3.501 20 0 EHADRM COc1ccc(CN(C(=O)Nc2ccccc2C(=O)[O-])C2CC2)cc1 ZINC001594091540 958347911 /nfs/dbraw/zinc/34/79/11/958347911.db2.gz KIJDGXBYEXGHSD-UHFFFAOYSA-N -1 0 340.379 3.590 20 0 EHADRM Cc1ccc(C)c(CN(C)C(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC001594352045 958371730 /nfs/dbraw/zinc/37/17/30/958371730.db2.gz UFKCJZJOSBKJST-UHFFFAOYSA-N -1 0 326.396 3.594 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])C2)cc1 ZINC001594353479 958384325 /nfs/dbraw/zinc/38/43/25/958384325.db2.gz BUIVPJAVAZXQEU-KBAYOESNSA-N -1 0 346.471 3.629 20 0 EHADRM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)NCC2(C(=O)[O-])CCC2)cc1 ZINC001594354337 958399059 /nfs/dbraw/zinc/39/90/59/958399059.db2.gz RVBYMIXLQFYUEU-NVXWUHKLSA-N -1 0 344.455 3.733 20 0 EHADRM Cc1ccc(CC(=O)Nc2ccccc2C(=O)[O-])cc1Br ZINC001594355478 958411003 /nfs/dbraw/zinc/41/10/03/958411003.db2.gz SIBUBKNEGVDNAI-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM Cc1ccc(CC2CCN(C(=O)[C@H](C(=O)[O-])C(C)(C)C)CC2)cc1 ZINC001594355591 958414535 /nfs/dbraw/zinc/41/45/35/958414535.db2.gz LPDJDBLBANQVRI-QGZVFWFLSA-N -1 0 331.456 3.523 20 0 EHADRM Cc1ccc(CNC(=O)C2(C(=O)[O-])CCC2)c(Oc2ccccc2)c1 ZINC001594358718 958428997 /nfs/dbraw/zinc/42/89/97/958428997.db2.gz PGSSKUADNLPFFB-UHFFFAOYSA-N -1 0 339.391 3.658 20 0 EHADRM Cc1ccc(Cl)c(NC(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001594363210 958471759 /nfs/dbraw/zinc/47/17/59/958471759.db2.gz MPUOUONFYWMLSW-AWEZNQCLSA-N -1 0 336.750 3.735 20 0 EHADRM Cc1ccc(Cl)c2ccc(NC(=O)NCCCCC(=O)[O-])nc12 ZINC001594363203 958472441 /nfs/dbraw/zinc/47/24/41/958472441.db2.gz MKTKDOWLRXNPED-UHFFFAOYSA-N -1 0 335.791 3.573 20 0 EHADRM Cc1ccc(Cl)c2ccc(NC(=O)N3CC[C@](C)(C(=O)[O-])C3)nc12 ZINC001594363250 958473991 /nfs/dbraw/zinc/47/39/91/958473991.db2.gz QBEMVJLMMJLGSS-KRWDZBQOSA-N -1 0 347.802 3.525 20 0 EHADRM COc1ccc(NC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)c2ccccc12 ZINC001594106909 958477832 /nfs/dbraw/zinc/47/78/32/958477832.db2.gz ZXSNMOALSSDCGP-QWHCGFSZSA-N -1 0 342.395 3.565 20 0 EHADRM Cc1ccc(NC(=O)[C@H](C(=O)[O-])C2CCCC2)c(Br)c1 ZINC001594369253 958529293 /nfs/dbraw/zinc/52/92/93/958529293.db2.gz CWBPQEHYMWWQPK-CYBMUJFWSA-N -1 0 340.217 3.587 20 0 EHADRM COc1ccc2cc(C(=O)NCc3ccc(C(=O)[O-])cc3)sc2c1 ZINC001594117824 958569432 /nfs/dbraw/zinc/56/94/32/958569432.db2.gz ORAZDLGNXHQAOD-UHFFFAOYSA-N -1 0 341.388 3.538 20 0 EHADRM C/C(=C\C(=O)Nc1sc2c(c1C(=O)[O-])COCC2)c1ccccc1 ZINC001588482856 958602085 /nfs/dbraw/zinc/60/20/85/958602085.db2.gz ZDHVXWZMEQDLAZ-PKNBQFBNSA-N -1 0 343.404 3.561 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)s1 ZINC000128148720 958638334 /nfs/dbraw/zinc/63/83/34/958638334.db2.gz VWVWGDXGXHOSRI-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM Cc1ccc2cccc(C(=O)N[C@@H]3C[C@H](C(=O)[O-])c4ccccc43)c2n1 ZINC001594382582 958648020 /nfs/dbraw/zinc/64/80/20/958648020.db2.gz FSYHIFKLBOKLJC-ZWKOTPCHSA-N -1 0 346.386 3.586 20 0 EHADRM Cc1cccc(-c2noc(CNc3cccc(CCC(=O)[O-])c3)n2)c1 ZINC001594385800 958663633 /nfs/dbraw/zinc/66/36/33/958663633.db2.gz GIEUGXXCHRYPKU-UHFFFAOYSA-N -1 0 337.379 3.674 20 0 EHADRM CC[C@H](C)N(CC)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000132495736 958786017 /nfs/dbraw/zinc/78/60/17/958786017.db2.gz CCQJWDGAMZRSNG-VIFPVBQESA-N -1 0 343.221 3.800 20 0 EHADRM CCOc1ccc(SCC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000391841839 972381152 /nfs/dbraw/zinc/38/11/52/972381152.db2.gz UZOCGGXSJGALHH-UHFFFAOYSA-N -1 0 349.383 3.653 20 0 EHADRM CC(C)(C)c1ccc(C(F)(F)C(=O)N2CCCC[C@H]2C(=O)[O-])cc1 ZINC001573462614 958920590 /nfs/dbraw/zinc/92/05/90/958920590.db2.gz HDCMWCFVESDVKS-AWEZNQCLSA-N -1 0 339.382 3.542 20 0 EHADRM CC(C)(CNC(=O)Nc1ccnc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC001573474959 958959709 /nfs/dbraw/zinc/95/97/09/958959709.db2.gz SYDJJSBHCNGXIF-UHFFFAOYSA-N -1 0 347.802 3.533 20 0 EHADRM Cc1cccc2c1CCC[C@@H]2NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001594413005 958961589 /nfs/dbraw/zinc/96/15/89/958961589.db2.gz QCXFDIURTPVTPI-YJBOKZPZSA-N -1 0 344.455 3.659 20 0 EHADRM Cc1cccc2c1CCC[C@@H]2NC(=O)NCc1ccccc1C(=O)[O-] ZINC001594413013 958962258 /nfs/dbraw/zinc/96/22/58/958962258.db2.gz QTLSPLGQGSOQOR-SFHVURJKSA-N -1 0 338.407 3.570 20 0 EHADRM Cc1cccc2c1CCC[C@@H]2NC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C ZINC001594413178 958963999 /nfs/dbraw/zinc/96/39/99/958963999.db2.gz WHVGPEADFULGAN-HNNXBMFYSA-N -1 0 329.440 3.626 20 0 EHADRM Cc1ccccc1C[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001594417456 959018229 /nfs/dbraw/zinc/01/82/29/959018229.db2.gz JNBJHJSDYUKRPV-SLWQEBJJSA-N -1 0 339.391 3.533 20 0 EHADRM Cc1ccccc1C[C@H](C)C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001594417765 959023226 /nfs/dbraw/zinc/02/32/26/959023226.db2.gz TZURPPDYBQGJRL-KYNGSXCRSA-N -1 0 337.419 3.603 20 0 EHADRM C[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1)c1cccc(Cl)c1 ZINC001588552016 959032566 /nfs/dbraw/zinc/03/25/66/959032566.db2.gz OYBMUCLCDGBFSC-BMIGLBTASA-N -1 0 335.762 3.525 20 0 EHADRM CC(C)[C@H](CNC(=O)N(C)[C@@H]1CCCC[C@@H]1c1ccccc1)C(=O)[O-] ZINC001573492871 959033474 /nfs/dbraw/zinc/03/34/74/959033474.db2.gz WHOMPUXGNABFOK-FGTMMUONSA-N -1 0 346.471 3.711 20 0 EHADRM CSc1c(F)cccc1C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001594189493 959158876 /nfs/dbraw/zinc/15/88/76/959158876.db2.gz IZAKKMBYBZICJA-GFCCVEGCSA-N -1 0 327.421 3.557 20 0 EHADRM CSc1cc(NC(=O)NC2(C(=O)[O-])CCCC2)ccc1Cl ZINC001594190194 959167015 /nfs/dbraw/zinc/16/70/15/959167015.db2.gz PYAXMXXNBMLSMK-UHFFFAOYSA-N -1 0 328.821 3.581 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)Nc2cncc(C(=O)[O-])c2)c1 ZINC001573543906 959197369 /nfs/dbraw/zinc/19/73/69/959197369.db2.gz MXEJQPBZYGIRPN-CYBMUJFWSA-N -1 0 326.396 3.721 20 0 EHADRM C[C@@H](NC(=O)NCc1ccccc1C(=O)[O-])c1ccc(Cl)s1 ZINC001594201777 959253670 /nfs/dbraw/zinc/25/36/70/959253670.db2.gz DQDZJZZVWNCVDM-SECBINFHSA-N -1 0 338.816 3.660 20 0 EHADRM Cc1csc(Nc2cccc(NC(=O)[C@]3(C(=O)[O-])CC3(C)C)c2)n1 ZINC001594440692 959262835 /nfs/dbraw/zinc/26/28/35/959262835.db2.gz PDNJEQDXVKDEDP-KRWDZBQOSA-N -1 0 345.424 3.635 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)Nc1ncc(Cl)cc1-c1ccc(Cl)cc1 ZINC001588584953 959296670 /nfs/dbraw/zinc/29/66/70/959296670.db2.gz JKQXUJUWGGYFSN-MRVPVSSYSA-N -1 0 339.178 3.715 20 0 EHADRM Cc1nc(-c2cccnc2)nc(Oc2ccc(CC(=O)[O-])cc2)c1C ZINC001594445949 959327866 /nfs/dbraw/zinc/32/78/66/959327866.db2.gz LXVDYTCIHRJRAB-UHFFFAOYSA-N -1 0 335.363 3.575 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3)C1CC1 ZINC001588589914 959338443 /nfs/dbraw/zinc/33/84/43/959338443.db2.gz YJCLSBQMOKGAHR-LBPRGKRZSA-N -1 0 340.423 3.515 20 0 EHADRM C[C@H](CCNC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)CC(C)(C)C ZINC001573580614 959351831 /nfs/dbraw/zinc/35/18/31/959351831.db2.gz PXUTUWMHJILEOG-CABCVRRESA-N -1 0 326.481 3.735 20 0 EHADRM CC(C)(C)c1ccc(-c2ccc(C(=O)N3CC[C@H](C(=O)[O-])C3)o2)cc1 ZINC000178257148 959429561 /nfs/dbraw/zinc/42/95/61/959429561.db2.gz SZKLJJVNWVBEJO-AWEZNQCLSA-N -1 0 341.407 3.791 20 0 EHADRM C[C@@H](COCC1CCCCC1)NC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001573601016 959442432 /nfs/dbraw/zinc/44/24/32/959442432.db2.gz GQCMYDITIYUNGQ-HNNXBMFYSA-N -1 0 339.476 3.513 20 0 EHADRM COc1ccc([C@@H]2CCCCCN2C(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000183755166 959446971 /nfs/dbraw/zinc/44/69/71/959446971.db2.gz WUCYBJMAGNHHGY-INIZCTEOSA-N -1 0 343.379 3.744 20 0 EHADRM CC(F)(F)c1ccc(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC001573609890 959471380 /nfs/dbraw/zinc/47/13/80/959471380.db2.gz AWYUJUJXQJZLSM-SFHVURJKSA-N -1 0 347.361 3.571 20 0 EHADRM CC[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])c1ccccc1OC(F)F ZINC000190616026 959514050 /nfs/dbraw/zinc/51/40/50/959514050.db2.gz VPTNGTUKOLBRDJ-GFCCVEGCSA-N -1 0 343.370 3.746 20 0 EHADRM Cc1nscc1C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000190811144 959524277 /nfs/dbraw/zinc/52/42/77/959524277.db2.gz PNVGGWDGARJICL-OAHLLOKOSA-N -1 0 346.452 3.695 20 0 EHADRM Cc1oc(CN(C)C(=O)c2cccc(-c3ccoc3)c2)cc1C(=O)[O-] ZINC000190888045 959528143 /nfs/dbraw/zinc/52/81/43/959528143.db2.gz PQFFRGTXCDAAHY-UHFFFAOYSA-N -1 0 339.347 3.818 20 0 EHADRM C[C@](NC(=O)c1ccc(C(=O)[O-])cc1)(c1ccccc1)C(F)(F)F ZINC001573624012 959529089 /nfs/dbraw/zinc/52/90/89/959529089.db2.gz ZHIMVFALTQTWAN-INIZCTEOSA-N -1 0 337.297 3.592 20 0 EHADRM CC[C@H](C)n1ncc(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1C1CC1 ZINC000190979811 959532871 /nfs/dbraw/zinc/53/28/71/959532871.db2.gz YNUJMBRGFPVJBE-LBPRGKRZSA-N -1 0 341.411 3.990 20 0 EHADRM Cc1c(C(=O)Nc2ccc(C)cc2C(=O)[O-])cnn1C1CCCC1 ZINC000191231857 959547516 /nfs/dbraw/zinc/54/75/16/959547516.db2.gz MCMULYNLUKBLLN-UHFFFAOYSA-N -1 0 327.384 3.566 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2ccc3ncccc3c2)cc1)C(=O)[O-] ZINC000191390398 959557214 /nfs/dbraw/zinc/55/72/14/959557214.db2.gz BQFQUJXINRXFCF-ZDUSSCGKSA-N -1 0 334.375 3.750 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2ccc(Cl)cc2F)cc1)C(=O)[O-] ZINC000191398928 959558914 /nfs/dbraw/zinc/55/89/14/959558914.db2.gz ASIGZHNABHTNHC-SNVBAGLBSA-N -1 0 335.762 3.995 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)[C@H](C)c2cccc(F)c2)cc1)C(=O)[O-] ZINC000191422747 959565750 /nfs/dbraw/zinc/56/57/50/959565750.db2.gz IBOFXIQUYKLOEZ-CHWSQXEVSA-N -1 0 329.371 3.831 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)NCC3(C(=O)[O-])CCCCC3)c2c1 ZINC000191495255 959571537 /nfs/dbraw/zinc/57/15/37/959571537.db2.gz ZKEVTINGPUUFAH-UHFFFAOYSA-N -1 0 342.439 3.560 20 0 EHADRM C[C@@H](OC(=O)C1(C(=O)[O-])CCCCCC1)c1nc2ccccc2n1C ZINC001573634586 959581742 /nfs/dbraw/zinc/58/17/42/959581742.db2.gz GXUUGXUBGULDNR-CYBMUJFWSA-N -1 0 344.411 3.603 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H](C)c2ccccc2)cc1 ZINC000192896031 959596888 /nfs/dbraw/zinc/59/68/88/959596888.db2.gz KVCDMPSXVQVLPV-DYVFJYSZSA-N -1 0 343.448 3.844 20 0 EHADRM CCC[C@H](C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000193066938 959609759 /nfs/dbraw/zinc/60/97/59/959609759.db2.gz IQWPGTFPFQWYJK-RXVVDRJESA-N -1 0 339.435 3.729 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)C2(c3ccccc3)CCCC2)c1 ZINC000193243083 959618821 /nfs/dbraw/zinc/61/88/21/959618821.db2.gz QEIDRFWPJRSKAB-UHFFFAOYSA-N -1 0 327.355 3.974 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC001588634622 959641802 /nfs/dbraw/zinc/64/18/02/959641802.db2.gz DACYIBQJSDLJRI-HZPDHXFCSA-N -1 0 333.403 3.625 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC001588640699 959687915 /nfs/dbraw/zinc/68/79/15/959687915.db2.gz LWZANGDYKDXEOI-GFCCVEGCSA-N -1 0 336.388 3.635 20 0 EHADRM CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)C1(C(=O)[O-])CCSCC1 ZINC001588643459 959716259 /nfs/dbraw/zinc/71/62/59/959716259.db2.gz QLNRHBYAOPKMAC-ZIAGYGMSSA-N -1 0 341.517 3.553 20 0 EHADRM O=C([O-])c1ccc(Br)cc1NC(=O)/C=C\c1ccccc1 ZINC000214831023 959743919 /nfs/dbraw/zinc/74/39/19/959743919.db2.gz SMQWHRSUZVWDOZ-TWGQIWQCSA-N -1 0 346.180 3.799 20 0 EHADRM Cc1c2ccccc2sc1[C@@H](C)OC(=O)c1cc(C(=O)[O-])nn1C ZINC001594268529 959773009 /nfs/dbraw/zinc/77/30/09/959773009.db2.gz DKDTUUYDLQQIJM-SNVBAGLBSA-N -1 0 344.392 3.559 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 ZINC001588651821 959775012 /nfs/dbraw/zinc/77/50/12/959775012.db2.gz UQJAQKWPHMLYBU-ZDUSSCGKSA-N -1 0 349.324 3.675 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc3ccccc3nc2Cl)cc1 ZINC000217659219 959776024 /nfs/dbraw/zinc/77/60/24/959776024.db2.gz PWQNRPZKTDNSBO-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM CC(C)(C)CCCC(=O)Nc1sc2c(c1C(=O)[O-])COCC2 ZINC001588651884 959776131 /nfs/dbraw/zinc/77/61/31/959776131.db2.gz WUOUJXPLBSGOKV-UHFFFAOYSA-N -1 0 325.430 3.674 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC001573697918 959796342 /nfs/dbraw/zinc/79/63/42/959796342.db2.gz GYSCWZYDUNDCJF-DZOHQFGASA-N -1 0 329.440 3.530 20 0 EHADRM C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001573698013 959797126 /nfs/dbraw/zinc/79/71/26/959797126.db2.gz DMUSBUVSRYAOKQ-XJKSGUPXSA-N -1 0 332.444 3.741 20 0 EHADRM O=C([O-])c1cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)no1 ZINC000230041801 960112256 /nfs/dbraw/zinc/11/22/56/960112256.db2.gz JJQWKUVJHLMQHV-UHFFFAOYSA-N -1 0 335.530 3.585 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)C2 ZINC000392452101 972488152 /nfs/dbraw/zinc/48/81/52/972488152.db2.gz DXEOFJZUZJXAHO-ZIAGYGMSSA-N -1 0 341.329 3.596 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000232190493 960252209 /nfs/dbraw/zinc/25/22/09/960252209.db2.gz VWNKJELIBCODDA-UHFFFAOYSA-N -1 0 334.597 3.686 20 0 EHADRM COc1cccc2c1CC[C@H]2OC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001574232616 960417700 /nfs/dbraw/zinc/41/77/00/960417700.db2.gz KQOAXCAIMIKZQS-MRXNPFEDSA-N -1 0 332.396 3.651 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NC[C@@H]1C[C@H]1C1CCCC1)C(=O)[O-] ZINC001123294552 960448180 /nfs/dbraw/zinc/44/81/80/960448180.db2.gz ACDNEJHDKUBXLB-NOLJZWGESA-N -1 0 347.480 3.808 20 0 EHADRM O=C([O-])CC[C@@H](CC1CCCCC1)NC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001123379967 960463086 /nfs/dbraw/zinc/46/30/86/960463086.db2.gz HOPMKRNUHYXXDL-OKZBNKHCSA-N -1 0 344.455 3.505 20 0 EHADRM CSc1ccccc1[C@H](C)NC(=O)Cc1ccccc1C(=O)[O-] ZINC001574258110 960552697 /nfs/dbraw/zinc/55/26/97/960552697.db2.gz WAGAXFNUJZZKSY-LBPRGKRZSA-N -1 0 329.421 3.527 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)CC(C)(C)Cc1ccc(Cl)cc1 ZINC001573757379 960566198 /nfs/dbraw/zinc/56/61/98/960566198.db2.gz AKQJHZRKVUYCSI-AWEZNQCLSA-N -1 0 325.836 3.620 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)/C(C)=C\c1c(Cl)cccc1Cl ZINC001573757895 960575908 /nfs/dbraw/zinc/57/59/08/960575908.db2.gz GLRBUXSBUSYFAZ-YXVBKTCISA-N -1 0 330.211 3.718 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1Cc1csc(Cc2ccccc2)n1 ZINC001574266016 960580654 /nfs/dbraw/zinc/58/06/54/960580654.db2.gz JQHLLCMKHIMYCP-CZUORRHYSA-N -1 0 330.453 3.562 20 0 EHADRM O=C([O-])CCc1csc(NCc2ccc(Br)cc2)n1 ZINC000236428356 960584102 /nfs/dbraw/zinc/58/41/02/960584102.db2.gz ODGNXSXBPLDLBO-UHFFFAOYSA-N -1 0 341.230 3.535 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCc2cccc(Cl)c2F)c(F)c1 ZINC001605807017 972521362 /nfs/dbraw/zinc/52/13/62/972521362.db2.gz WPMRVXHQERZVLN-UHFFFAOYSA-N -1 0 340.713 3.638 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001603284492 972521791 /nfs/dbraw/zinc/52/17/91/972521791.db2.gz YLGXKMORGUDESF-UKRRQHHQSA-N -1 0 337.485 3.704 20 0 EHADRM CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)C(CC)(CC)C(=O)[O-] ZINC001573775766 960672267 /nfs/dbraw/zinc/67/22/67/960672267.db2.gz AGQIYNUBBPQHBH-CQSZACIVSA-N -1 0 335.444 3.680 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000236610483 960715104 /nfs/dbraw/zinc/71/51/04/960715104.db2.gz FHARJDSUPZPQJT-KSZLIROESA-N -1 0 325.408 3.559 20 0 EHADRM CC(C)c1ccc(CCC(=O)NCCc2ccc(C(=O)[O-])cc2)cc1 ZINC000236637306 960720961 /nfs/dbraw/zinc/72/09/61/960720961.db2.gz VXXMMYHALSQJTL-UHFFFAOYSA-N -1 0 339.435 3.800 20 0 EHADRM CC(C)[C@H](NC(=O)CCCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000236678479 960731468 /nfs/dbraw/zinc/73/14/68/960731468.db2.gz NSPMILCTWHLGOT-AWEZNQCLSA-N -1 0 332.227 3.542 20 0 EHADRM CCCCOc1ccc(NC(=O)c2ccc(C(=O)[O-])nc2)c(C)c1 ZINC000236703504 960735210 /nfs/dbraw/zinc/73/52/10/960735210.db2.gz IYYNIFNLFVDIKB-UHFFFAOYSA-N -1 0 328.368 3.519 20 0 EHADRM CC(C)CCC[C@H](C)NC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC000236705726 960737581 /nfs/dbraw/zinc/73/75/81/960737581.db2.gz JDKQVJWLQDHDRJ-AWEZNQCLSA-N -1 0 343.427 3.515 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)[C@@H](C)CSc1ccc(F)cc1 ZINC000236724299 960743875 /nfs/dbraw/zinc/74/38/75/960743875.db2.gz NHZJPFREXOPQKS-ZDUSSCGKSA-N -1 0 341.448 3.513 20 0 EHADRM CCCCCN(Cc1ccc(F)cc1)C(=O)c1ccc(C(=O)[O-])o1 ZINC000236742726 960748844 /nfs/dbraw/zinc/74/88/44/960748844.db2.gz HRQOJGWSZUJJIA-UHFFFAOYSA-N -1 0 333.359 3.950 20 0 EHADRM CCCC[C@@H](NC(=O)c1ccc(COc2ccccc2)cc1)C(=O)[O-] ZINC000236854514 960776589 /nfs/dbraw/zinc/77/65/89/960776589.db2.gz PFQAEFUEWALEGA-GOSISDBHSA-N -1 0 341.407 3.639 20 0 EHADRM CCC[C@@H](NC(=O)c1ccc(-c2nc3ccccc3s2)o1)C(=O)[O-] ZINC000236908186 960796310 /nfs/dbraw/zinc/79/63/10/960796310.db2.gz OOOKHHICDUYPLY-LLVKDONJSA-N -1 0 344.392 3.539 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000236935825 960803186 /nfs/dbraw/zinc/80/31/86/960803186.db2.gz KTXVIQIQKRAQPG-AWEZNQCLSA-N -1 0 327.380 3.804 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000263184705 1125474762 /nfs/dbraw/zinc/47/47/62/1125474762.db2.gz URRUTFUHBYSKCQ-GDBMZVCRSA-N -1 0 338.407 3.928 20 0 EHADRM CCN(C(=O)c1cccc(C(=O)[O-])c1)[C@H](C)c1cccc(OC)c1 ZINC000237043835 960851681 /nfs/dbraw/zinc/85/16/81/960851681.db2.gz BVPOXZMECYLMQD-CYBMUJFWSA-N -1 0 327.380 3.617 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC001573809066 960867930 /nfs/dbraw/zinc/86/79/30/960867930.db2.gz IVRNFUFZJZBKGL-XLIONFOSSA-N -1 0 329.440 3.586 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001573809134 960869814 /nfs/dbraw/zinc/86/98/14/960869814.db2.gz LFQGHHUZQYJLGE-QGZVFWFLSA-N -1 0 341.411 3.573 20 0 EHADRM COc1ccc(C[C@H](C)C(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000237231032 960892859 /nfs/dbraw/zinc/89/28/59/960892859.db2.gz VWFZSNREVJZERS-AWEZNQCLSA-N -1 0 341.407 3.530 20 0 EHADRM Cc1cc(NC(=O)[C@H](c2ccc(Cl)cc2)N(C)C)ccc1C(=O)[O-] ZINC001574332928 960895147 /nfs/dbraw/zinc/89/51/47/960895147.db2.gz GOTDCGACSLXGNS-INIZCTEOSA-N -1 0 346.814 3.588 20 0 EHADRM Cc1ccc(CNC(=O)c2ccccc2S[C@H](C)C(=O)[O-])s1 ZINC000237377623 960921602 /nfs/dbraw/zinc/92/16/02/960921602.db2.gz VGNGNQGHIGXYSB-LLVKDONJSA-N -1 0 335.450 3.552 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)C[C@@H]2CCc3ccccc32)cc1 ZINC001319310305 960938274 /nfs/dbraw/zinc/93/82/74/960938274.db2.gz XRRLTIQINPFNKJ-PKOBYXMFSA-N -1 0 337.419 3.747 20 0 EHADRM Cc1cc(C(=O)N(C)C[C@@H](C)C(=O)[O-])c(C)n1-c1cc(C)cc(C)c1 ZINC000237575841 960964906 /nfs/dbraw/zinc/96/49/06/960964906.db2.gz GUXLBUXBXUJSJM-CQSZACIVSA-N -1 0 342.439 3.504 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1ccc(C(=O)[O-])s1 ZINC000237602412 960971610 /nfs/dbraw/zinc/97/16/10/960971610.db2.gz UHBMEOIKITYARG-GFCCVEGCSA-N -1 0 331.437 3.933 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(c2nc(-c3ccccc3C)ns2)C1 ZINC001573822491 960973663 /nfs/dbraw/zinc/97/36/63/960973663.db2.gz NEULLWOAYKKGQM-KRWDZBQOSA-N -1 0 331.441 3.595 20 0 EHADRM Cc1ccc(NC(=O)CCc2nc3ccccc3s2)c(C(=O)[O-])c1 ZINC000237677287 960993005 /nfs/dbraw/zinc/99/30/05/960993005.db2.gz WXELROYHKZAJLB-UHFFFAOYSA-N -1 0 340.404 3.874 20 0 EHADRM CC[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1C)c1ccc(OC)cc1 ZINC001322601304 961009407 /nfs/dbraw/zinc/00/94/07/961009407.db2.gz PPXNUHPTUIUYSZ-INIZCTEOSA-N -1 0 327.380 3.834 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)Cc1cccc(OC(C)C)c1 ZINC001324184629 961030439 /nfs/dbraw/zinc/03/04/39/961030439.db2.gz WCCLTBKTTNXKCW-UHFFFAOYSA-N -1 0 327.380 3.662 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(Cl)cc2C)cc1 ZINC001325142468 961053015 /nfs/dbraw/zinc/05/30/15/961053015.db2.gz DUYNJTHWXSFGHT-INIZCTEOSA-N -1 0 331.799 3.903 20 0 EHADRM O=C([O-])c1ccoc1CSc1ccccc1C(=O)N1CCCCC1 ZINC000237966033 961056778 /nfs/dbraw/zinc/05/67/78/961056778.db2.gz URMMOMRPAAAKEX-UHFFFAOYSA-N -1 0 345.420 3.896 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)c1cccs1 ZINC000237966577 961056983 /nfs/dbraw/zinc/05/69/83/961056983.db2.gz NIMHQWSCASFAEF-RDBSUJKOSA-N -1 0 349.839 3.837 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)o1 ZINC000238029415 961082239 /nfs/dbraw/zinc/08/22/39/961082239.db2.gz NTFLTEWARPGVBN-KRWDZBQOSA-N -1 0 339.322 3.636 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cc(F)ccc2SCC(F)F)o1 ZINC000238055659 961088889 /nfs/dbraw/zinc/08/88/89/961088889.db2.gz HSHRRHLSZLTSRJ-UHFFFAOYSA-N -1 0 345.298 3.726 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2OC(F)(F)F)cc1 ZINC000238060093 961089363 /nfs/dbraw/zinc/08/93/63/961089363.db2.gz OTMJUJIWYWRXCE-UHFFFAOYSA-N -1 0 325.242 3.536 20 0 EHADRM CCCN(CC(=O)[O-])c1ncnc2sc(-c3ccccc3)cc21 ZINC001573854774 961140740 /nfs/dbraw/zinc/14/07/40/961140740.db2.gz AEXXAAOIDBLKNZ-UHFFFAOYSA-N -1 0 327.409 3.659 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)C2C3CC4CC(C3)CC2C4)cc1 ZINC000238210530 961163993 /nfs/dbraw/zinc/16/39/93/961163993.db2.gz AZDHTKXPEXMWOD-UHFFFAOYSA-N -1 0 343.423 3.551 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1C[C@H]2CCCC[C@]21c1ccccc1 ZINC001327819994 961182448 /nfs/dbraw/zinc/18/24/48/961182448.db2.gz WHZALGGRPCEMFI-QRWLVFNGSA-N -1 0 339.391 3.828 20 0 EHADRM Cc1cccc(NCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)c1F ZINC001574397204 961214743 /nfs/dbraw/zinc/21/47/43/961214743.db2.gz KLINTMYWWIPRRQ-CYBMUJFWSA-N -1 0 332.375 3.640 20 0 EHADRM CC(C)(CC(=O)N1CCC[C@H](C(=O)[O-])C1)Cc1ccc(Cl)cc1 ZINC001588754951 961219184 /nfs/dbraw/zinc/21/91/84/961219184.db2.gz RFOAOOKLZSTYCJ-AWEZNQCLSA-N -1 0 337.847 3.622 20 0 EHADRM C[C@H](CC(=O)N(C)C(C)(C)CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001329496260 961274449 /nfs/dbraw/zinc/27/44/49/961274449.db2.gz SCGBDXFTFWVROU-LLVKDONJSA-N -1 0 345.361 3.911 20 0 EHADRM CC(C)(CCNC(=O)c1ccccc1NC1CCCCC1)C(=O)[O-] ZINC001588775589 961281972 /nfs/dbraw/zinc/28/19/72/961281972.db2.gz XMXPPDNLCUVANY-UHFFFAOYSA-N -1 0 332.444 3.662 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC2CCC(c3ccc(F)cc3)CC2)o1 ZINC001330277167 961339989 /nfs/dbraw/zinc/33/99/89/961339989.db2.gz BPVSFCADHNEHDJ-UHFFFAOYSA-N -1 0 331.343 3.573 20 0 EHADRM CC(C)(NC(=O)Nc1cccc(CC(=O)[O-])c1)c1ccc(F)cc1F ZINC001588789433 961358231 /nfs/dbraw/zinc/35/82/31/961358231.db2.gz USCVLRKUVCGUSR-UHFFFAOYSA-N -1 0 348.349 3.649 20 0 EHADRM CC(C)(NC(=O)c1ccc(C(=O)[O-])cn1)c1ccc2ccccc2c1 ZINC001588791389 961366210 /nfs/dbraw/zinc/36/62/10/961366210.db2.gz WLJWGFJPRXBKQC-UHFFFAOYSA-N -1 0 334.375 3.598 20 0 EHADRM Cc1ncc(-c2ccc(NC(=O)/C=C\c3ccc(C(=O)[O-])o3)cc2)o1 ZINC001574427339 961374631 /nfs/dbraw/zinc/37/46/31/961374631.db2.gz VMDJOEVQZSQLCK-CLFYSBASSA-N -1 0 338.319 3.593 20 0 EHADRM Cc1c(C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)sc2cccc(F)c12 ZINC000261674128 961387304 /nfs/dbraw/zinc/38/73/04/961387304.db2.gz HKTKCORHXLWPGS-QGZVFWFLSA-N -1 0 335.400 3.676 20 0 EHADRM O=C([O-])C1(CNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)CCCCC1 ZINC000261948355 961399861 /nfs/dbraw/zinc/39/98/61/961399861.db2.gz VZCWPNARRBMIIK-NEPJUHHUSA-N -1 0 335.366 3.506 20 0 EHADRM CN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)C1(C(=O)[O-])CCCCC1 ZINC000261924581 961400309 /nfs/dbraw/zinc/40/03/09/961400309.db2.gz SCHVGVSRYZZGJX-NEPJUHHUSA-N -1 0 335.366 3.601 20 0 EHADRM CC(C)=CCN(Cc1c(C(=O)[O-])cnn1C)Cc1ccc(Cl)cc1 ZINC001588797659 961408105 /nfs/dbraw/zinc/40/81/05/961408105.db2.gz UBXNJYXUHFKSRT-UHFFFAOYSA-N -1 0 347.846 3.740 20 0 EHADRM Cc1noc(C(C)C)c1NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001574444019 961437641 /nfs/dbraw/zinc/43/76/41/961437641.db2.gz YKKZJISETLZSTQ-LLVKDONJSA-N -1 0 325.409 3.507 20 0 EHADRM CCN(C(=O)Cc1ccccc1C(=O)[O-])[C@H](C)c1cccc(OC)c1 ZINC000262094660 961452074 /nfs/dbraw/zinc/45/20/74/961452074.db2.gz GUTRPEDRSBYVKN-CQSZACIVSA-N -1 0 341.407 3.546 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Cc2ccccc2C(=O)[O-])o1 ZINC000262099124 961456471 /nfs/dbraw/zinc/45/64/71/961456471.db2.gz DHSILSXCGDCTPS-GUYCJALGSA-N -1 0 341.407 3.829 20 0 EHADRM CC[C@H](C)[C@H](C(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000262139953 961493211 /nfs/dbraw/zinc/49/32/11/961493211.db2.gz DTWYROSLXQHDMK-LIRRHRJNSA-N -1 0 341.407 3.918 20 0 EHADRM CCOc1ccc(C[C@@H](C)C(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC001573919532 961518543 /nfs/dbraw/zinc/51/85/43/961518543.db2.gz CYUOXRBVPMUYMK-WBVHZDCISA-N -1 0 347.455 3.510 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)CCc2ccc(Cl)s2)Cc2ccccc21 ZINC000262181088 961528912 /nfs/dbraw/zinc/52/89/12/961528912.db2.gz MIZNCTCULOMRRT-AWEZNQCLSA-N -1 0 349.839 3.545 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000262217904 961563680 /nfs/dbraw/zinc/56/36/80/961563680.db2.gz UYSDVRHEOSKLJF-OJLVUWQFSA-N -1 0 343.448 3.738 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)CCCc2ccc(Cl)cc2)c1 ZINC000262222954 961567299 /nfs/dbraw/zinc/56/72/99/961567299.db2.gz RESNIBLVANWQCV-UHFFFAOYSA-N -1 0 345.826 3.720 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000262224131 961569704 /nfs/dbraw/zinc/56/97/04/961569704.db2.gz UVKILGRGFVPRKY-RRFJBIMHSA-N -1 0 349.839 3.718 20 0 EHADRM Cc1cc(C(=O)N[C@H](CC2CC2)C(=O)[O-])c(C)n1C1CCCCC1 ZINC000262235831 961580270 /nfs/dbraw/zinc/58/02/70/961580270.db2.gz PNVOKIIKKNSVDS-QGZVFWFLSA-N -1 0 332.444 3.593 20 0 EHADRM CCC(CC)(CNC(=O)CCc1ccc(-c2ccccc2)[nH]1)C(=O)[O-] ZINC000262237441 961582438 /nfs/dbraw/zinc/58/24/38/961582438.db2.gz ZIVIGTLWYKXSNJ-UHFFFAOYSA-N -1 0 342.439 3.622 20 0 EHADRM CC(C)[C@H](CNC(=O)c1ccc(C(=O)[O-])cc1)Cc1ccccc1 ZINC001588829433 961684778 /nfs/dbraw/zinc/68/47/78/961684778.db2.gz BEEUOLPFACVAKN-SFHVURJKSA-N -1 0 325.408 3.630 20 0 EHADRM CC(C)[C@H](CNC(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)[O-] ZINC001588830017 961697111 /nfs/dbraw/zinc/69/71/11/961697111.db2.gz HFLCHENXMAOLIZ-KRWDZBQOSA-N -1 0 345.370 3.705 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1ccccc1N(C)c1ccccc1)C(=O)[O-] ZINC001588830114 961699544 /nfs/dbraw/zinc/69/95/44/961699544.db2.gz MADOXYHNOHVSFW-QGZVFWFLSA-N -1 0 340.423 3.541 20 0 EHADRM CCO[C@H](C(=O)Nc1cc(C(=O)[O-])c(C)cc1C)c1ccccc1 ZINC000262427025 961714114 /nfs/dbraw/zinc/71/41/14/961714114.db2.gz BGJXBCNPCPTLSU-KRWDZBQOSA-N -1 0 327.380 3.718 20 0 EHADRM Cc1cc(NC(=O)NC2CCC(C(=O)[O-])CC2)c(Cl)cc1F ZINC000262442097 961723556 /nfs/dbraw/zinc/72/35/56/961723556.db2.gz GVTYDTGDQXSPQJ-UHFFFAOYSA-N -1 0 328.771 3.552 20 0 EHADRM CSc1ccc(C)c(C(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)c1 ZINC000262497242 961751477 /nfs/dbraw/zinc/75/14/77/961751477.db2.gz MXNPRKAZTCPFJC-UHFFFAOYSA-N -1 0 333.409 3.589 20 0 EHADRM CN(C(=O)[C@@H]1CC[C@H]1C(=O)[O-])[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC001573980007 961763810 /nfs/dbraw/zinc/76/38/10/961763810.db2.gz SYPJUZWSPCOWJZ-IJLUTSLNSA-N -1 0 349.736 3.513 20 0 EHADRM CC(C)[C@H](c1ccccc1)N(C)C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001588836444 961773255 /nfs/dbraw/zinc/77/32/55/961773255.db2.gz YPCBFTCXJWCDPO-MRXNPFEDSA-N -1 0 327.384 3.641 20 0 EHADRM CN(C(=O)c1coc(/C=C/C(=O)[O-])c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC001573982908 961777310 /nfs/dbraw/zinc/77/73/10/961777310.db2.gz HKUMDNZDPMAODO-PKRZQGHMSA-N -1 0 345.317 3.571 20 0 EHADRM Cc1oc(CN(C)C(=O)C2(CCc3ccccc3)CC2)cc1C(=O)[O-] ZINC001334330135 961800788 /nfs/dbraw/zinc/80/07/88/961800788.db2.gz MWJIKJKRDPCAFP-UHFFFAOYSA-N -1 0 341.407 3.658 20 0 EHADRM CC(C)(C)CN(Cc1ccccc1)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262700846 961812601 /nfs/dbraw/zinc/81/26/01/961812601.db2.gz HWCQOVYLWRPDDP-QAQDUYKDSA-N -1 0 331.456 3.952 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2ccnn2C2CCCC2)cc1)C(=O)[O-] ZINC000262752228 961849752 /nfs/dbraw/zinc/84/97/52/961849752.db2.gz JKMRNODWTGDOOM-CYBMUJFWSA-N -1 0 341.411 3.514 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)[C@H]2Cc3ccccc3S2)cc1)C(=O)[O-] ZINC000262768438 961857838 /nfs/dbraw/zinc/85/78/38/961857838.db2.gz LDLSKELKICQRQT-YVEFUNNKSA-N -1 0 341.432 3.605 20 0 EHADRM CN(C[C@@H]1CC1(C)C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001573998879 961869484 /nfs/dbraw/zinc/86/94/84/961869484.db2.gz JJLWHWJYOXDCMB-QMMMGPOBSA-N -1 0 328.771 3.687 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cc1 ZINC000262815847 961883146 /nfs/dbraw/zinc/88/31/46/961883146.db2.gz AKIBQAPOUBICMU-CQSZACIVSA-N -1 0 339.391 3.785 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)CC(C2CC2)C2CC2)nc1C(=O)[O-] ZINC001335017228 961885707 /nfs/dbraw/zinc/88/57/07/961885707.db2.gz RKIACFDIYCTAQC-CQSZACIVSA-N -1 0 348.468 3.640 20 0 EHADRM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C1 ZINC000262827723 961894245 /nfs/dbraw/zinc/89/42/45/961894245.db2.gz QSWACRQFGIFCGJ-VMUDFCTBSA-N -1 0 333.403 3.626 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Nc2ccc(C(=O)[O-])c(OC)c2)cc1 ZINC000262856216 961922420 /nfs/dbraw/zinc/92/24/20/961922420.db2.gz DRLLJNZHWYSWQT-GFCCVEGCSA-N -1 0 343.379 3.534 20 0 EHADRM C[C@H](CC1CCCC1)C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000262864000 961931581 /nfs/dbraw/zinc/93/15/81/961931581.db2.gz IZWFJGLWYCRITR-ZTFGCOKTSA-N -1 0 329.440 3.530 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)CCc1ccccc1F ZINC000262879709 961953904 /nfs/dbraw/zinc/95/39/04/961953904.db2.gz GWYJVMBQQACJRY-GFCCVEGCSA-N -1 0 345.370 3.740 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1nc2ccccc2cc1C1CC1)C(=O)[O-] ZINC001588858676 961982603 /nfs/dbraw/zinc/98/26/03/961982603.db2.gz RCKLRJJVWVBNIU-OAHLLOKOSA-N -1 0 340.423 3.589 20 0 EHADRM CS[C@H](C)CC(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000262913023 961991765 /nfs/dbraw/zinc/99/17/65/961991765.db2.gz DTAMVASLKPCZLE-WBMJQRKESA-N -1 0 331.437 3.613 20 0 EHADRM CC[C@@](CNC(=O)C[C@H](C)c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000262915492 961996308 /nfs/dbraw/zinc/99/63/08/961996308.db2.gz FBWKRJMJZBIONA-KKSFZXQISA-N -1 0 339.435 3.729 20 0 EHADRM COc1cc(NC(=O)[C@@H](C)CCc2cccc(F)c2)ccc1C(=O)[O-] ZINC000262924025 962005281 /nfs/dbraw/zinc/00/52/81/962005281.db2.gz KTHJMNKPKRLBER-LBPRGKRZSA-N -1 0 345.370 3.740 20 0 EHADRM CCc1ccc([C@@H]2CN(Cc3cccc(C(=O)[O-])c3)CCO2)cc1 ZINC000262929543 962012524 /nfs/dbraw/zinc/01/25/24/962012524.db2.gz ACIOTDAETGGZGZ-IBGZPJMESA-N -1 0 325.408 3.521 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262968312 962054945 /nfs/dbraw/zinc/05/49/45/962054945.db2.gz RIGJYUJINFXVLQ-BPLDGKMQSA-N -1 0 337.847 3.620 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001339800789 962070817 /nfs/dbraw/zinc/07/08/17/962070817.db2.gz CHBSDLICRNWYDM-ROUUACIJSA-N -1 0 346.471 3.540 20 0 EHADRM Cc1oc(CNC(=O)C2(c3cccc(F)c3)CCCC2)cc1C(=O)[O-] ZINC000263021821 962128981 /nfs/dbraw/zinc/12/89/81/962128981.db2.gz SRNCNDFAZKECDU-UHFFFAOYSA-N -1 0 345.370 3.554 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)N2CCC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000263037050 962156895 /nfs/dbraw/zinc/15/68/95/962156895.db2.gz PXRBRUGIAHQUKW-PEAOBZDDSA-N -1 0 329.440 3.927 20 0 EHADRM C[C@@H](NC(=O)CCC1CCCCC1)c1ccc(OCC(=O)[O-])cc1 ZINC000263046145 962176049 /nfs/dbraw/zinc/17/60/49/962176049.db2.gz NPPHEJDKTONGRA-CQSZACIVSA-N -1 0 333.428 3.688 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@@H]1CCCc2ccccc21 ZINC000263050976 962182717 /nfs/dbraw/zinc/18/27/17/962182717.db2.gz WWQLDXWCZDLVAJ-QGZVFWFLSA-N -1 0 339.391 3.517 20 0 EHADRM Cc1cccc(C(=O)NCC2(C(=O)[O-])CCCCC2)c1C(F)(F)F ZINC001344522791 962188643 /nfs/dbraw/zinc/18/86/43/962188643.db2.gz REYPQAHRVCXURB-UHFFFAOYSA-N -1 0 343.345 3.779 20 0 EHADRM CC(C)C[C@H](CNC(=O)N(CCc1ccccc1)C1CC1)CC(=O)[O-] ZINC001588890636 962202867 /nfs/dbraw/zinc/20/28/67/962202867.db2.gz RAZAMZFZZQZOBJ-KRWDZBQOSA-N -1 0 346.471 3.540 20 0 EHADRM CC(C)C[C@H](CNC(=O)NC[C@@H](c1ccccc1)C1CC1)CC(=O)[O-] ZINC001588892371 962206439 /nfs/dbraw/zinc/20/64/39/962206439.db2.gz DGSVOUPYTLYZQC-YJBOKZPZSA-N -1 0 346.471 3.616 20 0 EHADRM CC(C)C[C@H](CNC(=O)NC[C@H](c1ccccc1)C1CC1)CC(=O)[O-] ZINC001588892370 962206843 /nfs/dbraw/zinc/20/68/43/962206843.db2.gz DGSVOUPYTLYZQC-MAUKXSAKSA-N -1 0 346.471 3.616 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)CC2CCCCC2)C[C@H]1c1ccc(Cl)cc1 ZINC000263077510 962221720 /nfs/dbraw/zinc/22/17/20/962221720.db2.gz KMYCQIVISQOIHD-DLBZAZTESA-N -1 0 349.858 3.937 20 0 EHADRM O=C([O-])[C@@H](C(=O)NCc1ccccc1OC1CCCC1)C1CCCC1 ZINC001574616821 962226983 /nfs/dbraw/zinc/22/69/83/962226983.db2.gz JZMBZMTUHGDTTH-GOSISDBHSA-N -1 0 345.439 3.515 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1)C1CCCC1 ZINC001574617909 962239191 /nfs/dbraw/zinc/23/91/91/962239191.db2.gz YGVLIVOEECJQFU-MRXNPFEDSA-N -1 0 341.411 3.660 20 0 EHADRM C[C@H](C(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1)C(C)(C)C ZINC000263099357 962247679 /nfs/dbraw/zinc/24/76/79/962247679.db2.gz FHFWBINELOHLQJ-LLVKDONJSA-N -1 0 346.452 3.807 20 0 EHADRM C[C@H](CC1CCCC1)C(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC000263107003 962258087 /nfs/dbraw/zinc/25/80/87/962258087.db2.gz RNACTIRKINBFPF-KGLIPLIRSA-N -1 0 333.428 3.544 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)Cc2ccc3c(c2)CCCC3)cc1 ZINC000263328348 1125481729 /nfs/dbraw/zinc/48/17/29/1125481729.db2.gz PIHVVZLFSRAXHX-AWEZNQCLSA-N -1 0 337.419 3.935 20 0 EHADRM CC(C)C[C@H](Nc1ccnc(CSc2ccccc2)n1)C(=O)[O-] ZINC001588905668 962265486 /nfs/dbraw/zinc/26/54/86/962265486.db2.gz NTRHDGFFQIGBDW-AWEZNQCLSA-N -1 0 331.441 3.680 20 0 EHADRM CC(C)Cc1ccc([C@@H](NC(=O)NC[C@H](C)C(=O)[O-])C(C)C)cc1 ZINC001588905932 962271094 /nfs/dbraw/zinc/27/10/94/962271094.db2.gz AMBTXTILBRTKDN-YOEHRIQHSA-N -1 0 334.460 3.602 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000263140915 962293935 /nfs/dbraw/zinc/29/39/35/962293935.db2.gz MPEQXRNUBKMGDX-CYBMUJFWSA-N -1 0 345.826 3.576 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3C[C@@H]4CCC[C@@H]4[C@H]3C(=O)[O-])s2)o1 ZINC000263149035 962301494 /nfs/dbraw/zinc/30/14/94/962301494.db2.gz YYSUFOQAAYRMKO-MKBNYLNASA-N -1 0 345.420 3.642 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)c1 ZINC000263168748 962320755 /nfs/dbraw/zinc/32/07/55/962320755.db2.gz QXCBMTYKUURHKV-IRXDYDNUSA-N -1 0 327.355 3.585 20 0 EHADRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)CCCC(C)(C)C)c1 ZINC000263170497 962323400 /nfs/dbraw/zinc/32/34/00/962323400.db2.gz KPMREHNVCJFIDU-IBGZPJMESA-N -1 0 335.444 3.718 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)C(C)(C)Oc2ccc(F)cc2)c1 ZINC000263171392 962325002 /nfs/dbraw/zinc/32/50/02/962325002.db2.gz FZPUZPIOXXJGHQ-LBPRGKRZSA-N -1 0 345.370 3.810 20 0 EHADRM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)o1 ZINC000263184545 962339729 /nfs/dbraw/zinc/33/97/29/962339729.db2.gz HSTYLSNZRKAUIR-NYTXWWLZSA-N -1 0 333.428 3.643 20 0 EHADRM C[C@H](CC(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C)c1ccccc1C(F)(F)F ZINC000263186432 962341419 /nfs/dbraw/zinc/34/14/19/962341419.db2.gz MCXSWYRZEFWUFI-NQBHXWOUSA-N -1 0 343.345 3.521 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@@H](C)Cc2cccc(F)c2)cc1 ZINC000263195640 962349554 /nfs/dbraw/zinc/34/95/54/962349554.db2.gz JCZAPTVPSSYYRG-QWHCGFSZSA-N -1 0 329.371 3.831 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2nc(-c3cccs3)cs2)CC=CCC1 ZINC001574641105 962353554 /nfs/dbraw/zinc/35/35/54/962353554.db2.gz OJGKKAFCSIKSFQ-OAHLLOKOSA-N -1 0 334.422 3.621 20 0 EHADRM Cc1ccccc1OCCCC(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000263200495 962355880 /nfs/dbraw/zinc/35/58/80/962355880.db2.gz MHDYCANWHHTOFM-UHFFFAOYSA-N -1 0 345.370 3.559 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)N[C@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC000263206778 962362672 /nfs/dbraw/zinc/36/26/72/962362672.db2.gz ZDYSZXLKROSCSH-ZBFHGGJFSA-N -1 0 347.455 3.934 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)N[C@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC000263206771 962362876 /nfs/dbraw/zinc/36/28/76/962362876.db2.gz ZDYSZXLKROSCSH-GDBMZVCRSA-N -1 0 347.455 3.934 20 0 EHADRM CC(C)(C)Cc1nc2cc(NC(=O)CCCCC(=O)[O-])ccc2o1 ZINC000263261269 962400483 /nfs/dbraw/zinc/40/04/83/962400483.db2.gz GNIHOEBQOUYSKW-UHFFFAOYSA-N -1 0 332.400 4.000 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)N2CCC(C3CCC3)CC2)c2ccccc21 ZINC001574649164 962412801 /nfs/dbraw/zinc/41/28/01/962412801.db2.gz ITYUHJZWZFXSEJ-MSOLQXFVSA-N -1 0 342.439 3.521 20 0 EHADRM Cn1c(C(=O)[O-])ccc1[C@H]1CCCCN1C(=O)C1CCC=CCC1 ZINC001347624763 962427066 /nfs/dbraw/zinc/42/70/66/962427066.db2.gz VHUOHADTNWZADL-MRXNPFEDSA-N -1 0 330.428 3.523 20 0 EHADRM CCCOc1cccc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c1 ZINC000263295846 962437451 /nfs/dbraw/zinc/43/74/51/962437451.db2.gz MZUDZWJOGLXFNF-ZDUSSCGKSA-N -1 0 327.380 3.916 20 0 EHADRM COc1ccccc1CN(C(=O)c1cc(C)cc(C(=O)[O-])c1)C1CC1 ZINC000263323201 962465847 /nfs/dbraw/zinc/46/58/47/962465847.db2.gz NZMCQUWNFCOKTB-UHFFFAOYSA-N -1 0 339.391 3.507 20 0 EHADRM O=C([O-])CCCCC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000263331119 962478718 /nfs/dbraw/zinc/47/87/18/962478718.db2.gz UZOBTZKEPAFZNU-UHFFFAOYSA-N -1 0 347.361 3.815 20 0 EHADRM C[C@@H]1CCN(C(=O)Cc2ccc(C(=O)[O-])cc2)[C@@H]1c1cccc(F)c1 ZINC000263333558 962481252 /nfs/dbraw/zinc/48/12/52/962481252.db2.gz MUJRTGFNRRKTLJ-YJYMSZOUSA-N -1 0 341.382 3.676 20 0 EHADRM COc1ccccc1[C@@H](NC(=O)CCCCC(=O)[O-])c1ccccc1 ZINC000263338507 962487962 /nfs/dbraw/zinc/48/79/62/962487962.db2.gz WWUIBOFJAROUCH-FQEVSTJZSA-N -1 0 341.407 3.546 20 0 EHADRM Cc1c(NC(=O)Cc2ccc(C(=O)[O-])cc2)sc2c1CCCC2 ZINC000263357451 962514417 /nfs/dbraw/zinc/51/44/17/962514417.db2.gz SFIUQEUBHXWUIK-UHFFFAOYSA-N -1 0 329.421 3.815 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)Oc2cccc(C(F)(F)F)c2)co1 ZINC001574666804 962521696 /nfs/dbraw/zinc/52/16/96/962521696.db2.gz HFFRAFPCUNXRDA-PLNGDYQASA-N -1 0 326.226 3.615 20 0 EHADRM O=C([O-])C1CCC(Nc2ccc3oc(C(F)(F)F)nc3c2)CC1 ZINC000263381401 962538983 /nfs/dbraw/zinc/53/89/83/962538983.db2.gz BSRGYJXQQOBVPB-UHFFFAOYSA-N -1 0 328.290 3.902 20 0 EHADRM O=C([O-])C1(CNC(=O)CCCc2ccc3c(c2)-c2ccccc2C3)CC1 ZINC000263389069 962548762 /nfs/dbraw/zinc/54/87/62/962548762.db2.gz CLAQJYHNACVJLS-UHFFFAOYSA-N -1 0 349.430 3.562 20 0 EHADRM C[C@@](NCc1csc(-c2ccsc2)n1)(C(=O)[O-])c1ccccc1 ZINC001350602166 962549602 /nfs/dbraw/zinc/54/96/02/962549602.db2.gz VXIDGAKLGXGQBF-KRWDZBQOSA-N -1 0 344.461 3.961 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N3C[C@H](C(=O)[O-])CC[C@H]3C)[nH]c2c1 ZINC001588969942 962668169 /nfs/dbraw/zinc/66/81/69/962668169.db2.gz WBVSZFXDQYPOJS-IUODEOHRSA-N -1 0 328.412 3.617 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1c(-c2ccccc2)nc2ccccn21 ZINC001574699348 962674154 /nfs/dbraw/zinc/67/41/54/962674154.db2.gz GEAWWQPQGVCZCC-UHFFFAOYSA-N -1 0 337.379 3.585 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000263511490 962693919 /nfs/dbraw/zinc/69/39/19/962693919.db2.gz CKGQUBGOBCBSNE-SWLSCSKDSA-N -1 0 343.810 3.734 20 0 EHADRM CC(C)Sc1ccc(Cl)cc1NC(=O)NCCCC(=O)[O-] ZINC000263513761 962696722 /nfs/dbraw/zinc/69/67/22/962696722.db2.gz YVNPXQOQZBQFHL-UHFFFAOYSA-N -1 0 330.837 3.827 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000263518637 962701550 /nfs/dbraw/zinc/70/15/50/962701550.db2.gz FYOIWLISKVLDPL-IPMKNSEASA-N -1 0 335.403 3.793 20 0 EHADRM Cc1ccc2c(C(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])csc2c1 ZINC000263531915 962711929 /nfs/dbraw/zinc/71/19/29/962711929.db2.gz MXYAWHNXYQQAFO-MQIPJXDCSA-N -1 0 329.421 3.535 20 0 EHADRM CCOc1ccccc1[C@H](CC)NC(=O)Cc1ccccc1C(=O)[O-] ZINC000263554600 962725889 /nfs/dbraw/zinc/72/58/89/962725889.db2.gz YDUAFCAEHIWBQH-KRWDZBQOSA-N -1 0 341.407 3.594 20 0 EHADRM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC000263581786 962748167 /nfs/dbraw/zinc/74/81/67/962748167.db2.gz XQIBBHXNCVVCCB-CADBVGFASA-N -1 0 343.467 3.981 20 0 EHADRM CON(C(=O)[C@H](C(=O)[O-])C(C)C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001574170410 962767909 /nfs/dbraw/zinc/76/79/09/962767909.db2.gz MTFZNYATPMXDSG-ZWNOBZJWSA-N -1 0 347.333 3.513 20 0 EHADRM O=C([O-])CC1(CNC(=O)CCCc2c[nH]c3ccccc23)CCCC1 ZINC001517399048 962784677 /nfs/dbraw/zinc/78/46/77/962784677.db2.gz POFLSPMRFCPPBO-UHFFFAOYSA-N -1 0 342.439 3.642 20 0 EHADRM COc1c(C)cc(Cl)cc1NC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC001574175693 962788177 /nfs/dbraw/zinc/78/81/77/962788177.db2.gz WMJIJVFPCOOUEK-NSHDSACASA-N -1 0 342.823 3.525 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N3CC[C@@]4(C(=O)[O-])CCC[C@@H]34)c(Cl)c2c1 ZINC001549911958 962983405 /nfs/dbraw/zinc/98/34/05/962983405.db2.gz QBHOCNFQUIENIN-ACJLOTCBSA-N -1 0 346.814 3.599 20 0 EHADRM CC(=O)Nc1cc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)ccc1Cl ZINC001573352299 962984624 /nfs/dbraw/zinc/98/46/24/962984624.db2.gz CBCCYBJRMHXWMG-UHFFFAOYSA-N -1 0 346.770 3.557 20 0 EHADRM O=C([O-])c1ccc(Br)cc1NC(=O)[C@H]1CCC(F)(F)C1 ZINC000312131909 963538132 /nfs/dbraw/zinc/53/81/32/963538132.db2.gz SZTRIUJNUAABQB-ZETCQYMHSA-N -1 0 348.143 3.521 20 0 EHADRM COc1cc(OC)c(N[C@H](C)c2ncc(C(=O)[O-])s2)cc1Cl ZINC000314935133 963832067 /nfs/dbraw/zinc/83/20/67/963832067.db2.gz JMGCKPPQTSBNEV-SSDOTTSWSA-N -1 0 342.804 3.685 20 0 EHADRM CC(C)(C)c1ccccc1OCC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000236751526 967779365 /nfs/dbraw/zinc/77/93/65/967779365.db2.gz RUSJRBOUPAWTQV-OAHLLOKOSA-N -1 0 347.455 3.609 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)N3CCC[C@@H](CCC(=O)[O-])C3)c2c1 ZINC000237860371 967784524 /nfs/dbraw/zinc/78/45/24/967784524.db2.gz NWGOCVYNPHMDOG-HNNXBMFYSA-N -1 0 342.439 3.512 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)C1 ZINC000238100197 967786208 /nfs/dbraw/zinc/78/62/08/967786208.db2.gz TZGFQRPIISFXSL-NSHDSACASA-N -1 0 335.812 3.615 20 0 EHADRM Cc1ccc(C)c(OCCC(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC000262301163 967817571 /nfs/dbraw/zinc/81/75/71/967817571.db2.gz XNTNZBFMHUPPTG-UHFFFAOYSA-N -1 0 341.407 3.728 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1ccc(Oc2ccccc2)cn1 ZINC000263015231 967836750 /nfs/dbraw/zinc/83/67/50/967836750.db2.gz IEMDLCSGBWBDHZ-UHFFFAOYSA-N -1 0 343.383 3.639 20 0 EHADRM CN(CCC(=O)[O-])C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 ZINC000263019777 967837866 /nfs/dbraw/zinc/83/78/66/967837866.db2.gz IZGFSVAHMSKMTE-UHFFFAOYSA-N -1 0 335.429 3.532 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cncc(-c2ccccc2)c1 ZINC000263209594 967861926 /nfs/dbraw/zinc/86/19/26/967861926.db2.gz WKQZMUCFKMDDOC-SFHVURJKSA-N -1 0 338.407 3.608 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000263370101 967882206 /nfs/dbraw/zinc/88/22/06/967882206.db2.gz MQSYGKNRXWRPEV-GOSISDBHSA-N -1 0 338.407 3.740 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN1C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000263410311 967888424 /nfs/dbraw/zinc/88/84/24/967888424.db2.gz GVXQLUGOWQGDTD-WOSRLPQWSA-N -1 0 342.222 3.563 20 0 EHADRM C[C@@H](NC(=O)NCC1(C(=O)[O-])CCC1)c1ccc(Cl)cc1Cl ZINC000316863923 967982715 /nfs/dbraw/zinc/98/27/15/967982715.db2.gz OMPUDXBKEAYUNF-SECBINFHSA-N -1 0 345.226 3.609 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1cccc(Cl)c1Cl ZINC000397078436 968244627 /nfs/dbraw/zinc/24/46/27/968244627.db2.gz PLKDJIMJDWUIJG-RKDXNWHRSA-N -1 0 331.199 3.710 20 0 EHADRM C[C@H]1CCCN(Cc2csc(-c3ccc(F)cc3)n2)[C@@H]1C(=O)[O-] ZINC000424276391 968356184 /nfs/dbraw/zinc/35/61/84/968356184.db2.gz YJVNPLVWPPQNSD-NHYWBVRUSA-N -1 0 334.416 3.634 20 0 EHADRM CC(C)Cn1cc(C(=O)N2CCC[C@H](CC(=O)[O-])C2)c2ccccc21 ZINC000575747691 968459130 /nfs/dbraw/zinc/45/91/30/968459130.db2.gz JXGUZAMCVOPWMO-OAHLLOKOSA-N -1 0 342.439 3.624 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2cccc(Cl)c2Cl)C[C@@H]1C(=O)[O-] ZINC000577512857 968463394 /nfs/dbraw/zinc/46/33/94/968463394.db2.gz FAFUDDHKASHKMU-IUCAKERBSA-N -1 0 331.199 3.568 20 0 EHADRM C[C@@H]1CCN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C)C[C@H]1C(=O)[O-] ZINC000577726788 968465244 /nfs/dbraw/zinc/46/52/44/968465244.db2.gz GXLGETXSZQTSQN-BMFZPTHFSA-N -1 0 332.444 3.526 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2cccc(OC3CCCC3)c2)C[C@@H]1C(=O)[O-] ZINC000584530276 968483163 /nfs/dbraw/zinc/48/31/63/968483163.db2.gz UFSNJAAJGUQLIY-GUYCJALGSA-N -1 0 346.427 3.583 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)CCCCC1 ZINC000630131985 968527258 /nfs/dbraw/zinc/52/72/58/968527258.db2.gz QXHGDIFUYAXVMT-XOKHGSTOSA-N -1 0 347.842 3.520 20 0 EHADRM C[C@H](C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C)c1ccccc1C(F)(F)F ZINC000643433660 968554988 /nfs/dbraw/zinc/55/49/88/968554988.db2.gz VUOFBRZBQSWOEB-SDDRHHMPSA-N -1 0 343.345 3.521 20 0 EHADRM CC(C)[C@H](CNC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1)C(=O)[O-] ZINC000653539234 968674016 /nfs/dbraw/zinc/67/40/16/968674016.db2.gz XJUNAWBOEHRHHG-LBPRGKRZSA-N -1 0 347.415 3.604 20 0 EHADRM Cc1ccc(/C=C\CC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655576080 968685145 /nfs/dbraw/zinc/68/51/45/968685145.db2.gz OXAQSUIJOKTLQR-MZZAIONPSA-N -1 0 329.440 3.650 20 0 EHADRM C[C@@H](C(=O)N(CC(=O)[O-])C1CCC1)c1ccc(Cl)c(Cl)c1 ZINC000655590829 968689003 /nfs/dbraw/zinc/68/90/03/968689003.db2.gz QQRGUGFGVYQFPS-SECBINFHSA-N -1 0 330.211 3.563 20 0 EHADRM C[C@@H](CNC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000655888909 968706355 /nfs/dbraw/zinc/70/63/55/968706355.db2.gz PEFYGQCKGUQVAU-BBRMVZONSA-N -1 0 332.444 3.551 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000851601938 969274103 /nfs/dbraw/zinc/27/41/03/969274103.db2.gz YBJOKSWLIVUXEJ-WBVHZDCISA-N -1 0 333.428 3.628 20 0 EHADRM CC1(C)[C@H](c2ccc(C(F)(F)F)cc2)CCN1C(=O)CCC(=O)[O-] ZINC000864218208 969327163 /nfs/dbraw/zinc/32/71/63/969327163.db2.gz TVAXQOJDOAPWDW-ZDUSSCGKSA-N -1 0 343.345 3.665 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000872718513 969351764 /nfs/dbraw/zinc/35/17/64/969351764.db2.gz VDFUHKQKBWHYRY-SFHVURJKSA-N -1 0 331.456 3.667 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCCCC2)o1 ZINC000538004756 1032076337 /nfs/dbraw/zinc/07/63/37/1032076337.db2.gz PDFVJOIERCNQEY-UHFFFAOYSA-N -1 0 334.441 3.769 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)c2sccc2C(F)F)c2ccccc21 ZINC000902016476 969506263 /nfs/dbraw/zinc/50/62/63/969506263.db2.gz LCOJVKBYWAKLNW-RYUDHWBXSA-N -1 0 337.347 3.729 20 0 EHADRM O=C([O-])C1CCN(C(=O)C2(Cc3cccs3)CCCCC2)CC1 ZINC000908588964 969615222 /nfs/dbraw/zinc/61/52/22/969615222.db2.gz MDSUYQHYCZOMGT-UHFFFAOYSA-N -1 0 335.469 3.564 20 0 EHADRM CCN(C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)C1CC(C)(C)C1 ZINC001121924838 969684024 /nfs/dbraw/zinc/68/40/24/969684024.db2.gz CLZIGDITYUMIDP-HZPDHXFCSA-N -1 0 330.428 3.520 20 0 EHADRM CC1(C)C[C@@H](c2ccccc2)CN1C(=O)NCCCCCC(=O)[O-] ZINC001343057454 969757275 /nfs/dbraw/zinc/75/72/75/969757275.db2.gz ZQRZVAAMWLNLJL-MRXNPFEDSA-N -1 0 332.444 3.609 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001573388013 969809634 /nfs/dbraw/zinc/80/96/34/969809634.db2.gz HJLORFRUMLGRDH-RDOKFVIMSA-N -1 0 337.419 3.557 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2cccc(F)c2Cl)CCCCC1 ZINC000317256333 970342933 /nfs/dbraw/zinc/34/29/33/970342933.db2.gz FASTZVBPKFVXNE-UHFFFAOYSA-N -1 0 327.783 3.634 20 0 EHADRM CCCC[C@H](NC(=O)c1ccccc1SC(F)(F)F)C(=O)[O-] ZINC000318683559 970460235 /nfs/dbraw/zinc/46/02/35/970460235.db2.gz MABMKWYAGZFJLC-JTQLQIEISA-N -1 0 335.347 3.672 20 0 EHADRM O=C([O-])c1ccccc1COc1cc(F)c([N+](=O)[O-])cc1Cl ZINC000319176602 970511136 /nfs/dbraw/zinc/51/11/36/970511136.db2.gz NOYBBZPFZSZPCY-UHFFFAOYSA-N -1 0 325.679 3.665 20 0 EHADRM C[C@H]1CCc2sc(C(=O)NC3(C(=O)[O-])CCCCCC3)cc2C1 ZINC000320021336 970603499 /nfs/dbraw/zinc/60/34/99/970603499.db2.gz OLOVGACRAYCQPN-LBPRGKRZSA-N -1 0 335.469 3.780 20 0 EHADRM Cc1ccc(Cl)c(OCC(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC000320030106 970604720 /nfs/dbraw/zinc/60/47/20/970604720.db2.gz NVOFHVNIHJCMBP-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM CSc1ccc(C)c(C(=O)N2CCc3cc(C(=O)[O-])ccc32)c1 ZINC000320046262 970606526 /nfs/dbraw/zinc/60/65/26/970606526.db2.gz QSQJBBATUVGONC-UHFFFAOYSA-N -1 0 327.405 3.618 20 0 EHADRM O=C([O-])C1(NC(=O)c2cc3cc(F)ccc3s2)CCCCCC1 ZINC000320089167 970612990 /nfs/dbraw/zinc/61/29/90/970612990.db2.gz XBYLYKDMYMQOSS-UHFFFAOYSA-N -1 0 335.400 3.948 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)N[C@@H]2CCCc3sccc32)c1 ZINC000320223680 970632846 /nfs/dbraw/zinc/63/28/46/970632846.db2.gz ZRGMSYPRXLJBLS-GFCCVEGCSA-N -1 0 334.372 3.785 20 0 EHADRM Cc1cc(NC(=O)C(C)(C)Oc2ccc(F)cc2)sc1C(=O)[O-] ZINC000320283737 970642891 /nfs/dbraw/zinc/64/28/91/970642891.db2.gz HLHWKJMBJKKHMD-UHFFFAOYSA-N -1 0 337.372 3.690 20 0 EHADRM Cc1ccc(NC(=O)c2cc(-c3cccs3)on2)c(C(=O)[O-])c1 ZINC000320653379 970692187 /nfs/dbraw/zinc/69/21/87/970692187.db2.gz KKHXXCIKIHMXHM-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM O=C([O-])[C@]1(C(F)(F)F)CCN(c2nc(-c3ccccc3)cs2)C1 ZINC000320686480 970699360 /nfs/dbraw/zinc/69/93/60/970699360.db2.gz VSHAAFMASGIEIN-AWEZNQCLSA-N -1 0 342.342 3.654 20 0 EHADRM C[C@@H]1CC[C@@H](NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C[C@@H]1C ZINC000321056921 970739723 /nfs/dbraw/zinc/73/97/23/970739723.db2.gz YLWOWLHFOAJHOE-KXUCPTDWSA-N -1 0 326.343 3.609 20 0 EHADRM Cc1c(NC(=O)N2CCc3sccc3[C@H]2C)cccc1C(=O)[O-] ZINC000321174691 970749314 /nfs/dbraw/zinc/74/93/14/970749314.db2.gz YMFKTHMSLCFKFL-LLVKDONJSA-N -1 0 330.409 3.906 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N(C)c2ccc(Br)cc2)c1 ZINC001600107440 970759446 /nfs/dbraw/zinc/75/94/46/970759446.db2.gz RTXGLDGZVKWHRQ-UHFFFAOYSA-N -1 0 348.196 3.732 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000392922014 972543206 /nfs/dbraw/zinc/54/32/06/972543206.db2.gz KMRVWQCCOMQSDB-CYBMUJFWSA-N -1 0 345.370 3.735 20 0 EHADRM O=C([O-])c1ccc([N+](=O)[O-])c(OCc2ncc(-c3ccccc3)o2)c1 ZINC000393007897 972555148 /nfs/dbraw/zinc/55/51/48/972555148.db2.gz SCNHIASSOKGVNE-UHFFFAOYSA-N -1 0 340.291 3.527 20 0 EHADRM CCCCc1ccc(CC(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1 ZINC000393027879 972556278 /nfs/dbraw/zinc/55/62/78/972556278.db2.gz UZDLWZYBBNFFSV-UHFFFAOYSA-N -1 0 341.407 3.674 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)C1(Cc2ccc(Cl)cc2)CC1 ZINC001604998752 972595371 /nfs/dbraw/zinc/59/53/71/972595371.db2.gz YWXOAEOLRUUDQH-IUODEOHRSA-N -1 0 335.831 3.517 20 0 EHADRM O=C(Nc1ccccc1SC1CCCC1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001605867079 972625962 /nfs/dbraw/zinc/62/59/62/972625962.db2.gz QJJSXOMQWFDKBJ-HAQNSBGRSA-N -1 0 334.441 3.706 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(ccn3CC(C)C)c2)o1 ZINC000538008961 1032079058 /nfs/dbraw/zinc/07/90/58/1032079058.db2.gz JQVRNXCEZVVHRZ-UHFFFAOYSA-N -1 0 332.425 4.000 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2nc3c(ccc4c3CCCC4)s2)C1 ZINC001605872911 972645273 /nfs/dbraw/zinc/64/52/73/972645273.db2.gz FFSDOMSZPLOVLT-NWDGAFQWSA-N -1 0 344.436 3.615 20 0 EHADRM CC1(C)CC[C@H](CN2C[C@@H](CCC(=O)[O-])Cc3ccccc32)OC1 ZINC001603327224 972674453 /nfs/dbraw/zinc/67/44/53/972674453.db2.gz IXCMLRHZZXYSRR-DOTOQJQBSA-N -1 0 331.456 3.735 20 0 EHADRM CC1(C)CCc2c(sc(NC(=O)c3ccncc3)c2C(=O)[O-])C1 ZINC001603328947 972685677 /nfs/dbraw/zinc/68/56/77/972685677.db2.gz PWYTVFIAKFHFTG-UHFFFAOYSA-N -1 0 330.409 3.609 20 0 EHADRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N(CC(=O)[O-])CC(C)(C)C ZINC001605065809 972688116 /nfs/dbraw/zinc/68/81/16/972688116.db2.gz MYDRLINVAKLFHA-UHFFFAOYSA-N -1 0 336.819 3.703 20 0 EHADRM Cc1c2occ(CC(=O)NCCC(C)(C)C(=O)[O-])c2ccc1Cl ZINC001605081661 972718695 /nfs/dbraw/zinc/71/86/95/972718695.db2.gz LGAYUEDRFXVKJX-UHFFFAOYSA-N -1 0 337.803 3.554 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CCC[C@@](C)(c2ccccc2)C1 ZINC001603348359 972766363 /nfs/dbraw/zinc/76/63/63/972766363.db2.gz SYMMSZMRSGEBIF-HXUWFJFHSA-N -1 0 343.467 3.704 20 0 EHADRM Cc1cc(C(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])c(C)n1C1CCCCC1 ZINC001605122897 972785538 /nfs/dbraw/zinc/78/55/38/972785538.db2.gz VLAKLZNXKMDRSY-SJKOYZFVSA-N -1 0 332.444 3.688 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCc3c(F)cc(F)cc3[C@@H]2C)c1 ZINC001605132660 972800631 /nfs/dbraw/zinc/80/06/31/972800631.db2.gz XUMOETPZALYSPN-NSHDSACASA-N -1 0 345.345 3.731 20 0 EHADRM O=C([O-])C1(C(=O)N[C@H]2C[C@H](c3ccccc3Cl)C2)CCCCC1 ZINC001605934671 972867228 /nfs/dbraw/zinc/86/72/28/972867228.db2.gz OJGBYQRLAROCBG-JOCQHMNTSA-N -1 0 335.831 3.737 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1 ZINC000396388030 972870210 /nfs/dbraw/zinc/87/02/10/972870210.db2.gz PTILXIUGTXILMA-QMMMGPOBSA-N -1 0 339.178 3.829 20 0 EHADRM COc1ccc(/C=C\C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cc1 ZINC000396439521 972887602 /nfs/dbraw/zinc/88/76/02/972887602.db2.gz NBMQFDSJDYKFFK-QWGHSUKYSA-N -1 0 325.364 3.535 20 0 EHADRM Cc1cc(F)ccc1[C@H](C)OC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001605186348 972900410 /nfs/dbraw/zinc/90/04/10/972900410.db2.gz AREZPRXXNDQHCL-LBPRGKRZSA-N -1 0 332.327 3.516 20 0 EHADRM Cc1cc(F)ccc1[C@@H](C)OC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001605186528 972901637 /nfs/dbraw/zinc/90/16/37/972901637.db2.gz FTNHJRICPJMCHH-GFCCVEGCSA-N -1 0 332.327 3.516 20 0 EHADRM O=C([O-])[C@@]1(C(=O)O[C@@H]2CCCc3c(F)cc(F)cc32)CC=CCC1 ZINC001605950292 972908145 /nfs/dbraw/zinc/90/81/45/972908145.db2.gz BXHQVMABIRHKAJ-CRAIPNDOSA-N -1 0 336.334 3.697 20 0 EHADRM O=C([O-])c1ccccc1OCCOc1ccc(Cl)c(F)c1F ZINC000396552702 972916091 /nfs/dbraw/zinc/91/60/91/972916091.db2.gz PIXVOBSLHBVORU-UHFFFAOYSA-N -1 0 328.698 3.774 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000396634651 972925782 /nfs/dbraw/zinc/92/57/82/972925782.db2.gz OBTPROGIZBIZTE-VIFPVBQESA-N -1 0 348.742 3.689 20 0 EHADRM C[C@H]1C[C@H](CC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC(C)(C)C1 ZINC001603375816 972928981 /nfs/dbraw/zinc/92/89/81/972928981.db2.gz HPUCGCADFCVTDV-UAGQMJEPSA-N -1 0 331.456 3.651 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)CC(F)(F)F ZINC000396958126 972955384 /nfs/dbraw/zinc/95/53/84/972955384.db2.gz XEHTTXVMWNKCKE-ZETCQYMHSA-N -1 0 338.713 3.748 20 0 EHADRM Cc1cc(NCc2ccc(C(=O)[O-])s2)nn1-c1cccc(F)c1 ZINC001605213603 972958546 /nfs/dbraw/zinc/95/85/46/972958546.db2.gz XNRLMTBVDSHXAZ-UHFFFAOYSA-N -1 0 331.372 3.692 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001603391245 973006029 /nfs/dbraw/zinc/00/60/29/973006029.db2.gz GRZVZUUDNVTHKJ-LTIDMASMSA-N -1 0 338.492 3.591 20 0 EHADRM O=C([O-])[C@H]1CCN(Cc2ccc(-c3ccccn3)nc2)c2ccccc21 ZINC001606016040 973109445 /nfs/dbraw/zinc/10/94/45/973109445.db2.gz QWGXPNOHWAJJQY-KRWDZBQOSA-N -1 0 345.402 3.722 20 0 EHADRM COC(=O)c1ccc2c(c1)CCCCN2Cc1cccc(C(=O)[O-])c1 ZINC001604390650 973118153 /nfs/dbraw/zinc/11/81/53/973118153.db2.gz ZCGLAMRZZHDZSZ-UHFFFAOYSA-N -1 0 339.391 3.514 20 0 EHADRM Cc1ccc2c(c1)[C@H](NC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C)CCC2 ZINC001605314599 973140801 /nfs/dbraw/zinc/14/08/01/973140801.db2.gz YYNFZOIYLWTXSJ-OAHLLOKOSA-N -1 0 329.440 3.626 20 0 EHADRM C[C@@H](c1ccc(C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1)C(F)(F)F ZINC001603425105 973143038 /nfs/dbraw/zinc/14/30/38/973143038.db2.gz DPDWVAOTTXYPPI-SUNKGSAMSA-N -1 0 343.345 3.535 20 0 EHADRM O=C([O-])[C@@H]1CN(Cc2cncc(Cl)c2Cl)Cc2ccccc21 ZINC001606048860 973158622 /nfs/dbraw/zinc/15/86/22/973158622.db2.gz ZYJQIYQLPQJTIG-CYBMUJFWSA-N -1 0 337.206 3.572 20 0 EHADRM C[C@@H](NC(=O)c1csc2c1CC[C@H](C)C2)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603433291 973191806 /nfs/dbraw/zinc/19/18/06/973191806.db2.gz CTPDIUHSLDTFSC-IDTSFGKNSA-N -1 0 349.496 3.738 20 0 EHADRM O=C([O-])c1cc(CNc2ccc(OC(F)(F)F)c(Cl)c2)on1 ZINC000401215795 973344062 /nfs/dbraw/zinc/34/40/62/973344062.db2.gz XJFGEOKXWNFUMN-UHFFFAOYSA-N -1 0 336.653 3.537 20 0 EHADRM Cc1coc(C)c1C(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21 ZINC001605381814 973346123 /nfs/dbraw/zinc/34/61/23/973346123.db2.gz WTMVDNKRSHTODC-CQSZACIVSA-N -1 0 327.380 3.580 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N1CCC(=Cc2cccc(F)c2)CC1 ZINC001603519857 973543146 /nfs/dbraw/zinc/54/31/46/973543146.db2.gz IBRJNOLMXHNIHV-UHFFFAOYSA-N -1 0 333.403 3.723 20 0 EHADRM CC[C@H](CC(F)(F)F)C(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000402516147 973616593 /nfs/dbraw/zinc/61/65/93/973616593.db2.gz LDYKCJZEMFYZED-SSDOTTSWSA-N -1 0 335.347 3.852 20 0 EHADRM CC[C@H](CNC(=O)N[C@H](C)c1ccc(SC(C)C)cc1)C(=O)[O-] ZINC001603560385 973668362 /nfs/dbraw/zinc/66/83/62/973668362.db2.gz XXWKOEQSEKCOFS-CHWSQXEVSA-N -1 0 338.473 3.658 20 0 EHADRM O=C([O-])COc1ccc(C(=O)Oc2ccc(Cl)c(Cl)c2)cc1 ZINC001606285056 973675872 /nfs/dbraw/zinc/67/58/72/973675872.db2.gz AGKNKKUFSDCKRB-UHFFFAOYSA-N -1 0 341.146 3.676 20 0 EHADRM Cn1c2ccc(C(=O)[O-])cc2nc1-c1cscc1Br ZINC000404761746 973747699 /nfs/dbraw/zinc/74/76/99/973747699.db2.gz JCYKQCBDMLDMSJ-UHFFFAOYSA-N -1 0 337.198 3.763 20 0 EHADRM O=C([O-])[C@H]1CC12CCN(C(=O)Nc1ccc3c(c1)CCCCC3)CC2 ZINC000405327255 973830882 /nfs/dbraw/zinc/83/08/82/973830882.db2.gz WEGVQLXNQUVRBH-QGZVFWFLSA-N -1 0 342.439 3.674 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])cc1C(F)(F)F ZINC000405357764 973845367 /nfs/dbraw/zinc/84/53/67/973845367.db2.gz ZSCXWPLQADHYIZ-GXFFZTMASA-N -1 0 344.333 3.779 20 0 EHADRM CC[C@H]1CCc2c(sc(NC(=O)c3cc(C)on3)c2C(=O)[O-])C1 ZINC001603624195 973924196 /nfs/dbraw/zinc/92/41/96/973924196.db2.gz AUWONGOJMMSUAW-VIFPVBQESA-N -1 0 334.397 3.510 20 0 EHADRM O=C([O-])CCCCCNC(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000414640693 973945026 /nfs/dbraw/zinc/94/50/26/973945026.db2.gz KFMBIMSFGDKBOY-DLBZAZTESA-N -1 0 332.444 3.657 20 0 EHADRM O=C([O-])CCCCCNC(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000414640696 973945104 /nfs/dbraw/zinc/94/51/04/973945104.db2.gz KFMBIMSFGDKBOY-SJORKVTESA-N -1 0 332.444 3.657 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NCc1cnc([C@H]2CCCO2)s1 ZINC000417560060 973960738 /nfs/dbraw/zinc/96/07/38/973960738.db2.gz BCWGEEGUSTWUPL-OAHLLOKOSA-N -1 0 332.425 3.922 20 0 EHADRM O=C([O-])c1ccc(CNCc2cc(F)cc(Cl)c2)nc1C1CC1 ZINC000417705215 973966713 /nfs/dbraw/zinc/96/67/13/973966713.db2.gz NQGPQHXFDMPIMP-UHFFFAOYSA-N -1 0 334.778 3.740 20 0 EHADRM COc1ccc(C2CC2)c(NC(=O)N[C@H](C(=O)[O-])c2ccccc2)c1 ZINC001604773137 973997211 /nfs/dbraw/zinc/99/72/11/973997211.db2.gz DDBRBIAIHNWCGY-KRWDZBQOSA-N -1 0 340.379 3.520 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cccc(F)c2OC(F)(F)F)c1 ZINC001606516902 974009987 /nfs/dbraw/zinc/00/99/87/974009987.db2.gz YJKORVVYEVEVCO-UHFFFAOYSA-N -1 0 343.232 3.675 20 0 EHADRM CSc1c(F)cc(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc1F ZINC000424386697 974024358 /nfs/dbraw/zinc/02/43/58/974024358.db2.gz WCVRKMSADUASLJ-SECBINFHSA-N -1 0 346.399 3.555 20 0 EHADRM CCSc1cccc(F)c1NC(=O)NCC(CC)(CC)C(=O)[O-] ZINC000424387104 974024593 /nfs/dbraw/zinc/02/45/93/974024593.db2.gz IMXFVBKVIKWYLR-UHFFFAOYSA-N -1 0 342.436 3.950 20 0 EHADRM Cc1ccc(C2CC2)c(C(=O)Nc2cccc(OCC(=O)[O-])c2)c1 ZINC000425240036 974039477 /nfs/dbraw/zinc/03/94/77/974039477.db2.gz LJQJNFKACKUSQX-UHFFFAOYSA-N -1 0 325.364 3.588 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)[C@H]2CCC[C@H](F)C2)c2ccccc12 ZINC000425249555 974041402 /nfs/dbraw/zinc/04/14/02/974041402.db2.gz UJVMMXXERXHQFK-STQMWFEESA-N -1 0 345.370 3.770 20 0 EHADRM O=C([O-])[C@@H](NCc1cc(C(F)(F)F)ccc1F)c1ccccc1F ZINC000426768144 974047778 /nfs/dbraw/zinc/04/77/78/974047778.db2.gz VOIRYXUIDYCTAG-AWEZNQCLSA-N -1 0 345.267 3.899 20 0 EHADRM CN(CC(=O)[O-])C(=O)c1cc(Cl)ccc1Sc1ccccc1 ZINC000431177336 974061722 /nfs/dbraw/zinc/06/17/22/974061722.db2.gz XVZQFLJKPRZQQV-UHFFFAOYSA-N -1 0 335.812 3.648 20 0 EHADRM O=C([O-])[C@H](CNC(=O)CCC1CCC1)Cc1ccc2ccccc2c1 ZINC000431509953 974066986 /nfs/dbraw/zinc/06/69/86/974066986.db2.gz XHEXRYHVXQBREW-IBGZPJMESA-N -1 0 339.435 3.780 20 0 EHADRM O=C([O-])C1(NC(=O)/C=C/c2ccsc2C(F)(F)F)CCCCC1 ZINC001605668045 974068362 /nfs/dbraw/zinc/06/83/62/974068362.db2.gz MKBMMFLNMIETDX-SNAWJCMRSA-N -1 0 347.358 3.684 20 0 EHADRM O=C([O-])C1(CNC(=O)c2ccc(Oc3ccccc3)o2)CCCCC1 ZINC000431882430 974077602 /nfs/dbraw/zinc/07/76/02/974077602.db2.gz KGXXNQDGSLUIPL-UHFFFAOYSA-N -1 0 343.379 3.837 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000431991978 974082070 /nfs/dbraw/zinc/08/20/70/974082070.db2.gz MQNWGJBSYDPAPU-LBPRGKRZSA-N -1 0 331.799 3.784 20 0 EHADRM O=C([O-])c1coc(C(=O)NC2(c3ccc(F)cc3F)CCCCC2)c1 ZINC000432089394 974084409 /nfs/dbraw/zinc/08/44/09/974084409.db2.gz OQLQBPSXEUTMLA-UHFFFAOYSA-N -1 0 349.333 3.845 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NCC2(Cc3ccccc3)CCCC2)C1 ZINC000432105082 974086369 /nfs/dbraw/zinc/08/63/69/974086369.db2.gz CPIVTHZBGNQNLA-MSOLQXFVSA-N -1 0 343.467 3.797 20 0 EHADRM O=C([O-])C1(NC(=O)CCc2ccc(F)c3c2CCCC3)CCCCC1 ZINC001605687388 974103149 /nfs/dbraw/zinc/10/31/49/974103149.db2.gz UQGQKKJFPGOINS-UHFFFAOYSA-N -1 0 347.430 3.541 20 0 EHADRM Cc1ccc(CCC(=O)N[C@](C)(CC(=O)[O-])c2cccc(F)c2)cc1 ZINC000448988656 974129379 /nfs/dbraw/zinc/12/93/79/974129379.db2.gz FFJRBPOPRKHRRT-HXUWFJFHSA-N -1 0 343.398 3.573 20 0 EHADRM Cc1scc(C(=O)N[C@](C)(CC(=O)[O-])c2cccc(F)c2)c1C ZINC000450527004 974148382 /nfs/dbraw/zinc/14/83/82/974148382.db2.gz XLLZPLWMLOBZOQ-QGZVFWFLSA-N -1 0 335.400 3.624 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)N[C@@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000455895496 974164565 /nfs/dbraw/zinc/16/45/65/974164565.db2.gz COLHYMSGSDBQNM-GUYCJALGSA-N -1 0 345.826 3.710 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@@H](C)Oc1cccc(F)c1 ZINC000472018105 974200917 /nfs/dbraw/zinc/20/09/17/974200917.db2.gz SNZLRVOJBOZYKL-GFCCVEGCSA-N -1 0 331.343 3.547 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCC2(c3ccc(Cl)cc3)CC2)c(F)c1 ZINC000478848020 974210989 /nfs/dbraw/zinc/21/09/89/974210989.db2.gz LXYUMSAXYFVPHF-UHFFFAOYSA-N -1 0 347.773 3.639 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)CSc1ccccc1 ZINC000485712826 974233013 /nfs/dbraw/zinc/23/30/13/974233013.db2.gz NZWUUKATRSSWTB-UHFFFAOYSA-N -1 0 345.420 3.903 20 0 EHADRM CC(C)Cc1ccc(CC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000507071004 974275000 /nfs/dbraw/zinc/27/50/00/974275000.db2.gz RUIXDJAQNPIWEI-UHFFFAOYSA-N -1 0 339.435 3.784 20 0 EHADRM COc1ccc(OC)c([C@H]2CCCN2c2nc(C(=O)[O-])c(C)s2)c1 ZINC000514939585 974294322 /nfs/dbraw/zinc/29/43/22/974294322.db2.gz OIFTVOLEXNAGFB-CYBMUJFWSA-N -1 0 348.424 3.508 20 0 EHADRM CC[C@H]1CO[C@@H](C)CN1Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000518547146 974324633 /nfs/dbraw/zinc/32/46/33/974324633.db2.gz WUXLZPLBBYNMSR-LRDDRELGSA-N -1 0 346.452 3.508 20 0 EHADRM CCOc1c(Cl)cc(NC(=O)[C@H](C(=O)[O-])C(C)C)cc1Cl ZINC001603849703 974351900 /nfs/dbraw/zinc/35/19/00/974351900.db2.gz DELICBUMNNCPTL-LLVKDONJSA-N -1 0 334.199 3.687 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000532256297 974372853 /nfs/dbraw/zinc/37/28/53/974372853.db2.gz WQZWQHOVMZONPQ-UHFFFAOYSA-N -1 0 332.425 3.545 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCCc2csc3ccccc23)cc1 ZINC000532259093 974373625 /nfs/dbraw/zinc/37/36/25/974373625.db2.gz DMLQMBCZVRIZSF-UHFFFAOYSA-N -1 0 325.389 3.572 20 0 EHADRM CCC[C@](C)(NC(=O)Cc1coc2ccc3ccccc3c12)C(=O)[O-] ZINC000532259001 974373639 /nfs/dbraw/zinc/37/36/39/974373639.db2.gz GYWSPIFGVHFIRZ-FQEVSTJZSA-N -1 0 339.391 3.888 20 0 EHADRM Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCC3)cc1C(=O)[O-] ZINC000538503821 974390175 /nfs/dbraw/zinc/39/01/75/974390175.db2.gz NFLJFCAAEUHPCW-ZDUSSCGKSA-N -1 0 339.391 3.588 20 0 EHADRM Cc1ccc(CC(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)cc1C ZINC000540706759 974406802 /nfs/dbraw/zinc/40/68/02/974406802.db2.gz PMWDUEAWUQJEJD-UHFFFAOYSA-N -1 0 341.407 3.970 20 0 EHADRM Cc1ccc(NC(=O)[C@H](C)SCc2ccccc2)c(C(=O)[O-])c1 ZINC000541588650 974411608 /nfs/dbraw/zinc/41/16/08/974411608.db2.gz MYCSSUGBAYCWBP-ZDUSSCGKSA-N -1 0 329.421 3.954 20 0 EHADRM Cc1ccc(NC(=O)c2cc(Br)cs2)c(C(=O)[O-])c1 ZINC000542517642 974415135 /nfs/dbraw/zinc/41/51/35/974415135.db2.gz IFBQKAMSURAWGC-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM O=C([O-])c1coc(C(=O)NCC2(c3ccccc3)CCCCC2)c1 ZINC000542765431 974416181 /nfs/dbraw/zinc/41/61/81/974416181.db2.gz SRDKQHOVOMIWLH-UHFFFAOYSA-N -1 0 327.380 3.610 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2ccccc2OC2CCCCC2)o1 ZINC000553939960 974481360 /nfs/dbraw/zinc/48/13/60/974481360.db2.gz AMOZNNISBKTSEF-UHFFFAOYSA-N -1 0 343.379 3.619 20 0 EHADRM CC(C)CO[C@H](C)C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000562920484 974509511 /nfs/dbraw/zinc/50/95/11/974509511.db2.gz MWCUEMZHDJNBER-RDTXWAMCSA-N -1 0 343.423 3.533 20 0 EHADRM CCn1c(SCCCC(=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC001604007220 974513654 /nfs/dbraw/zinc/51/36/54/974513654.db2.gz YPXJMMPNWSBQLS-UHFFFAOYSA-N -1 0 325.821 3.575 20 0 EHADRM CCn1c2ccc(Cl)cc2nc1NC(=O)C(CC)(CC)C(=O)[O-] ZINC001604008153 974516578 /nfs/dbraw/zinc/51/65/78/974516578.db2.gz LFUDWGBSZSURRX-UHFFFAOYSA-N -1 0 337.807 3.539 20 0 EHADRM Cc1sc(N2CCC(OC3CCC(C)CC3)CC2)nc1C(=O)[O-] ZINC000563206511 974520192 /nfs/dbraw/zinc/52/01/92/974520192.db2.gz QOQGWCZJVIOFJY-UHFFFAOYSA-N -1 0 338.473 3.714 20 0 EHADRM Cc1occc1C[N@@H+](C)Cc1cc(Br)ccc1C(=O)[O-] ZINC000563277796 974525147 /nfs/dbraw/zinc/52/51/47/974525147.db2.gz LFRCPABAXYQYKL-UHFFFAOYSA-N -1 0 338.201 3.681 20 0 EHADRM Cc1cc(F)cc(C)c1C(=O)N[C@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000563449851 974532493 /nfs/dbraw/zinc/53/24/93/974532493.db2.gz JEXFACTURIYSDV-PBHICJAKSA-N -1 0 343.398 3.504 20 0 EHADRM Cc1cc(F)cc(C)c1C(=O)N[C@@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000563449855 974532631 /nfs/dbraw/zinc/53/26/31/974532631.db2.gz JEXFACTURIYSDV-YOEHRIQHSA-N -1 0 343.398 3.504 20 0 EHADRM C[C@H](CN(C)[C@@H](C(=O)[O-])c1c(F)cccc1Cl)c1nccs1 ZINC000566921103 974624612 /nfs/dbraw/zinc/62/46/12/974624612.db2.gz WOJCZSNVUZYWNN-NOZJJQNGSA-N -1 0 342.823 3.797 20 0 EHADRM COc1cccc(C2CC[NH+](Cc3cc(C(=O)[O-])oc3C)CC2)c1 ZINC000567280149 974631674 /nfs/dbraw/zinc/63/16/74/974631674.db2.gz RMPGYJPCTSBTIW-UHFFFAOYSA-N -1 0 329.396 3.674 20 0 EHADRM O=C([O-])c1cccc(CN2CCO[C@@H](c3cccs3)C2)c1Cl ZINC000568060226 974655838 /nfs/dbraw/zinc/65/58/38/974655838.db2.gz WIZMFDYBFIDNPD-CYBMUJFWSA-N -1 0 337.828 3.673 20 0 EHADRM C[N@H+](Cc1ccoc1C(=O)[O-])Cc1ccc(OCC(F)(F)F)cc1 ZINC000568414380 974669915 /nfs/dbraw/zinc/66/99/15/974669915.db2.gz JSVUNEUPDFAIKM-UHFFFAOYSA-N -1 0 343.301 3.551 20 0 EHADRM C[C@H](NCc1cnc(C2CCCC2)s1)c1ncc(C(=O)[O-])s1 ZINC000568749708 974677420 /nfs/dbraw/zinc/67/74/20/974677420.db2.gz LNDCJNXMYHEVCG-VIFPVBQESA-N -1 0 337.470 3.806 20 0 EHADRM Cc1ccc(CN(Cc2ccco2)Cc2oncc2C(=O)[O-])s1 ZINC000568772166 974678708 /nfs/dbraw/zinc/67/87/08/974678708.db2.gz OCBBUTUJNOTSQU-UHFFFAOYSA-N -1 0 332.381 3.538 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CN(Cc2nc(C(=O)[O-])cs2)C2CC2)o1 ZINC000570808137 974718504 /nfs/dbraw/zinc/71/85/04/974718504.db2.gz CXLSOMUHGLHOIK-ZWNOBZJWSA-N -1 0 332.425 3.722 20 0 EHADRM CC(C)c1ccc(-c2noc(CN([C@@H](C)C(=O)[O-])C3CCC3)n2)cc1 ZINC000573140823 974761306 /nfs/dbraw/zinc/76/13/06/974761306.db2.gz HFJOFYWKDLBWGT-ZDUSSCGKSA-N -1 0 343.427 3.688 20 0 EHADRM Cc1[nH]c2ccccc2c1C1CCN(C(=O)C[C@@H](C)CC(=O)[O-])CC1 ZINC000576598371 974818512 /nfs/dbraw/zinc/81/85/12/974818512.db2.gz KPVRUCLWQUZROY-CYBMUJFWSA-N -1 0 342.439 3.683 20 0 EHADRM O=C([O-])c1cccc2c1CCN(CCOc1ccc(F)cc1Cl)C2 ZINC000580659505 974897713 /nfs/dbraw/zinc/89/77/13/974897713.db2.gz JKZUVWJSJBSLAR-UHFFFAOYSA-N -1 0 349.789 3.614 20 0 EHADRM CC(C)CCc1nc(CN(CCc2ccccc2)CC(=O)[O-])cs1 ZINC000583187718 974936813 /nfs/dbraw/zinc/93/68/13/974936813.db2.gz ANPRTHOGLFLCQR-UHFFFAOYSA-N -1 0 346.496 3.861 20 0 EHADRM CC(C)(CC(=O)N1CCc2c(cccc2C(=O)[O-])C1)c1ccccc1 ZINC000621578762 975039213 /nfs/dbraw/zinc/03/92/13/975039213.db2.gz GZCLBPRJVURTRA-UHFFFAOYSA-N -1 0 337.419 3.637 20 0 EHADRM Cc1ccc(C(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)cc1F ZINC000621587113 975044446 /nfs/dbraw/zinc/04/44/46/975044446.db2.gz WEZACJGFTCGVBF-IRXDYDNUSA-N -1 0 327.355 3.565 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)c1ccc(Cl)s1 ZINC000621587736 975045191 /nfs/dbraw/zinc/04/51/91/975045191.db2.gz IPYDSFWNOSJJMT-RYUDHWBXSA-N -1 0 335.812 3.832 20 0 EHADRM Cc1cc(F)ccc1C(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000621589038 975046965 /nfs/dbraw/zinc/04/69/65/975046965.db2.gz MCFKWKGKFBOBQW-IRXDYDNUSA-N -1 0 327.355 3.565 20 0 EHADRM CC(C)Cc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1 ZINC000621591201 975047209 /nfs/dbraw/zinc/04/72/09/975047209.db2.gz MLKJFOFBJLQYOY-UHFFFAOYSA-N -1 0 327.380 3.601 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000621600065 975054150 /nfs/dbraw/zinc/05/41/50/975054150.db2.gz UOBPCZGXGKMYGG-TUUUFIMRSA-N -1 0 335.366 3.505 20 0 EHADRM CC[C@@H](CC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC000621610471 975059120 /nfs/dbraw/zinc/05/91/20/975059120.db2.gz KHQBBRRRVSTRKW-NEPJUHHUSA-N -1 0 332.425 3.602 20 0 EHADRM C[C@@H](CCC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC000621611437 975060920 /nfs/dbraw/zinc/06/09/20/975060920.db2.gz CKHIDMKBLINSRW-RYUDHWBXSA-N -1 0 332.425 3.602 20 0 EHADRM CC(C)(C)c1cnc(CN2CCC(c3ncc(C(=O)[O-])s3)CC2)o1 ZINC000629366918 975085586 /nfs/dbraw/zinc/08/55/86/975085586.db2.gz BREWPOMPGDSNLM-UHFFFAOYSA-N -1 0 349.456 3.506 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CC1CCC(F)(F)CC1)c1ccc(F)cc1 ZINC000630099090 975100737 /nfs/dbraw/zinc/10/07/37/975100737.db2.gz XONXABIVMSZTON-CQSZACIVSA-N -1 0 343.345 3.673 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000630102953 975102084 /nfs/dbraw/zinc/10/20/84/975102084.db2.gz LTLZDJVWZHWWKJ-UHFFFAOYSA-N -1 0 327.789 3.663 20 0 EHADRM Cc1cc(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)oc1C(=O)[O-] ZINC000630116043 975108338 /nfs/dbraw/zinc/10/83/38/975108338.db2.gz MVNPVMHZGSDAJN-OAHLLOKOSA-N -1 0 331.343 3.697 20 0 EHADRM Cc1cc(C(=O)N2C[C@H](c3ccccc3C)C[C@@H]2C)oc1C(=O)[O-] ZINC000630121884 975110088 /nfs/dbraw/zinc/11/00/88/975110088.db2.gz UTJNDNXKXXXSPV-UONOGXRCSA-N -1 0 327.380 3.613 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(C2CCOCC2)cc1 ZINC000630131190 975116461 /nfs/dbraw/zinc/11/64/61/975116461.db2.gz MRCGPEPSPMTSQW-UHFFFAOYSA-N -1 0 339.391 3.840 20 0 EHADRM Cc1cccc(CO[C@@H](C)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000630139678 975123410 /nfs/dbraw/zinc/12/34/10/975123410.db2.gz SDXZCBVVAIFAMO-AWEZNQCLSA-N -1 0 327.380 3.545 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)cc1 ZINC000630143972 975127754 /nfs/dbraw/zinc/12/77/54/975127754.db2.gz VEJONHJFKFSSOA-RCCFBDPRSA-N -1 0 335.403 3.573 20 0 EHADRM CCCN(C(=O)c1cc(C)c(C(=O)[O-])o1)[C@@H]1CCc2ccccc2C1 ZINC000630152416 975131969 /nfs/dbraw/zinc/13/19/69/975131969.db2.gz UVVSQXWMHXNVNQ-MRXNPFEDSA-N -1 0 341.407 3.696 20 0 EHADRM Cc1ccccc1C[C@@H](C)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000630156541 975133339 /nfs/dbraw/zinc/13/33/39/975133339.db2.gz HOOHTFIYNXNJEX-NVXWUHKLSA-N -1 0 331.456 3.523 20 0 EHADRM CC[C@H]1CCCC[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000630172876 975142775 /nfs/dbraw/zinc/14/27/75/975142775.db2.gz HIBMRTQQONQNDG-LEUOFYLZSA-N -1 0 329.440 3.530 20 0 EHADRM COc1cc(NC(=O)[C@H](C)Cc2ccccc2C)ccc1C(=O)[O-] ZINC000630185104 975146854 /nfs/dbraw/zinc/14/68/54/975146854.db2.gz WUBONBTVHZWIDD-CYBMUJFWSA-N -1 0 327.380 3.519 20 0 EHADRM Cc1ccccc1CO[C@H](C)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000630194616 975152662 /nfs/dbraw/zinc/15/26/62/975152662.db2.gz QKDMILZWAZWYFG-LSDHHAIUSA-N -1 0 341.407 3.727 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N(Cc1ccc(F)cc1Cl)CC1CC1 ZINC000630228280 975176160 /nfs/dbraw/zinc/17/61/60/975176160.db2.gz FUVXIQBOSPXZNT-LLVKDONJSA-N -1 0 341.810 3.719 20 0 EHADRM O=C([O-])Cc1ccc(CNC(=O)CCCc2ccc(Cl)cc2)cc1 ZINC000630234037 975181484 /nfs/dbraw/zinc/18/14/84/975181484.db2.gz KFYPENNZPDKBNU-UHFFFAOYSA-N -1 0 345.826 3.606 20 0 EHADRM CCC[C@@H](C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1)C(C)C ZINC000630259869 975203607 /nfs/dbraw/zinc/20/36/07/975203607.db2.gz DLRHAUKKULEJNW-WCQYABFASA-N -1 0 325.380 3.688 20 0 EHADRM COc1ccc([C@H](C)CC(=O)NC[C@H](C(=O)[O-])C2CCCCC2)cc1 ZINC000630265613 975209280 /nfs/dbraw/zinc/20/92/80/975209280.db2.gz PJTMOSVANNSKLC-KDOFPFPSSA-N -1 0 347.455 3.586 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CC[C@H](c2cccc(F)c2)C1(C)C ZINC000630274971 975219789 /nfs/dbraw/zinc/21/97/89/975219789.db2.gz PGPZSSRLSDMLSH-OAHLLOKOSA-N -1 0 345.370 3.834 20 0 EHADRM CC1(C)[C@@H](c2cccc(F)c2)CCN1C(=O)c1cc(C(=O)[O-])co1 ZINC000630275661 975220378 /nfs/dbraw/zinc/22/03/78/975220378.db2.gz RDIRUXMFRGCTPB-CQSZACIVSA-N -1 0 331.343 3.525 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC000630281152 975226051 /nfs/dbraw/zinc/22/60/51/975226051.db2.gz BGQKFBLAQHVILV-VWNJHIHFSA-N -1 0 349.858 3.620 20 0 EHADRM Cc1[nH]c2ccc(C(=O)N3CC[C@H](C(=O)[O-])[C@H]4CCC[C@@H]43)cc2c1C ZINC000630285313 975229728 /nfs/dbraw/zinc/22/97/28/975229728.db2.gz ZOPYAHKMAHLGNL-VKJFTORMSA-N -1 0 340.423 3.500 20 0 EHADRM Cc1ccc2c(C(=O)N3CC[C@H](C(=O)[O-])[C@H]4CCC[C@@H]43)csc2c1 ZINC000630284921 975229814 /nfs/dbraw/zinc/22/98/14/975229814.db2.gz ORRNVJCARWNKLA-INWMFGNUSA-N -1 0 343.448 3.925 20 0 EHADRM CCc1ccc2occ(C(=O)N3CC[C@H](C(=O)[O-])[C@@H]4CCC[C@@H]43)c2c1 ZINC000630285409 975229828 /nfs/dbraw/zinc/22/98/28/975229828.db2.gz RBBODSSZLDZOKD-ZQIUZPCESA-N -1 0 341.407 3.711 20 0 EHADRM C[C@H]1c2c(F)cccc2CCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000630289142 975232237 /nfs/dbraw/zinc/23/22/37/975232237.db2.gz OEIHPQCDRGYWQI-ZDUSSCGKSA-N -1 0 341.382 3.602 20 0 EHADRM Cc1cc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)ccc1C(F)(F)F ZINC000630293946 975234281 /nfs/dbraw/zinc/23/42/81/975234281.db2.gz GAYUJQFLRSWSQD-XYPYZODXSA-N -1 0 329.318 3.843 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1ccc(C(=O)[O-])s1 ZINC000630295107 975235188 /nfs/dbraw/zinc/23/51/88/975235188.db2.gz PVELGVCVJVECJH-MBNYWOFBSA-N -1 0 329.421 3.853 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC(c2cccc(Cl)c2)CC1 ZINC000630297383 975236867 /nfs/dbraw/zinc/23/68/67/975236867.db2.gz NFZGINUGYWFHSG-UHFFFAOYSA-N -1 0 347.798 3.959 20 0 EHADRM O=C([O-])c1ccccc1-c1ccccc1C(=O)NC[C@H]1CCSC1 ZINC000630299621 975238309 /nfs/dbraw/zinc/23/83/09/975238309.db2.gz MPGMNIQFGJKWSM-CYBMUJFWSA-N -1 0 341.432 3.535 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)NCc2ccc(-c3ccco3)cc2F)CC1 ZINC000630300493 975239060 /nfs/dbraw/zinc/23/90/60/975239060.db2.gz UPFHQRSUGROHAV-JOCQHMNTSA-N -1 0 345.370 3.593 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)NC[C@H]1CCCC12CC2)C(=O)[O-] ZINC000630306187 975242203 /nfs/dbraw/zinc/24/22/03/975242203.db2.gz VZHYFSNATYGETC-CHWSQXEVSA-N -1 0 333.453 3.562 20 0 EHADRM CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccc(C(=O)[O-])c(F)c1 ZINC000639410584 975286281 /nfs/dbraw/zinc/28/62/81/975286281.db2.gz GBKMIYPYPNKLBG-HNNXBMFYSA-N -1 0 348.761 3.764 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000644874489 975326873 /nfs/dbraw/zinc/32/68/73/975326873.db2.gz IWEVWGSBXGYEMP-SJLPKXTDSA-N -1 0 345.483 3.913 20 0 EHADRM O=C([O-])c1cnc(NC2CCN(c3ccccc3)CC2)c(Cl)c1 ZINC000647449130 975361942 /nfs/dbraw/zinc/36/19/42/975361942.db2.gz RLKHARWLIBCTBU-UHFFFAOYSA-N -1 0 331.803 3.514 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)Nc2ccc3oc4ccccc4c3c2)C1 ZINC000647689873 975372789 /nfs/dbraw/zinc/37/27/89/975372789.db2.gz LPHHGJQFJUBVMW-NEPJUHHUSA-N -1 0 338.363 3.961 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)Nc2cc(C(F)F)ccc2Cl)C1 ZINC000647697744 975374147 /nfs/dbraw/zinc/37/41/47/975374147.db2.gz HRONKYWXAPXALT-BDAKNGLRSA-N -1 0 332.734 3.652 20 0 EHADRM CC1(C)CCC[C@H]1[C@H]1CCN(C(=O)CCc2ccccc2C(=O)[O-])C1 ZINC000649256148 975395587 /nfs/dbraw/zinc/39/55/87/975395587.db2.gz SAJZYUHWSDOSDW-WMZOPIPTSA-N -1 0 343.467 3.992 20 0 EHADRM COc1ccc([C@H]2CCCN2c2nc(C(=O)[O-])c(C)s2)c(OC)c1 ZINC000649383710 975409945 /nfs/dbraw/zinc/40/99/45/975409945.db2.gz WCVXNWKYIBWXKJ-CYBMUJFWSA-N -1 0 348.424 3.508 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2cccc(C(F)F)c2Cl)CCC1 ZINC000649542588 975426864 /nfs/dbraw/zinc/42/68/64/975426864.db2.gz JRLOBFHNSCLYRT-UHFFFAOYSA-N -1 0 332.734 3.797 20 0 EHADRM C[C@@H](C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000652065103 975464764 /nfs/dbraw/zinc/46/47/64/975464764.db2.gz MFEHLEWBQPTGOE-PXAZEXFGSA-N -1 0 343.810 3.654 20 0 EHADRM CC(C)O[C@H](COc1cnc(Cl)cc1C(=O)[O-])c1ccccc1 ZINC001591686817 975499048 /nfs/dbraw/zinc/49/90/48/975499048.db2.gz TUBZQMXYVCEDAV-OAHLLOKOSA-N -1 0 335.787 3.978 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)C[C@H]1C1CC1 ZINC000652125329 975511379 /nfs/dbraw/zinc/51/13/79/975511379.db2.gz NZOKLVRGUGAWAM-FUMNGEBKSA-N -1 0 349.430 3.513 20 0 EHADRM Cc1oc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1C(=O)[O-] ZINC000652386640 975518933 /nfs/dbraw/zinc/51/89/33/975518933.db2.gz AIEAARXXNIIVIN-ZDUSSCGKSA-N -1 0 340.379 3.807 20 0 EHADRM CCN(Cc1ccoc1)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000652408282 975525059 /nfs/dbraw/zinc/52/50/59/975525059.db2.gz UFSKJLLBEAJFHD-AWEZNQCLSA-N -1 0 338.201 3.690 20 0 EHADRM CCO[C@@H](C)c1nc(CN(C)Cc2ccccc2C(=O)[O-])cs1 ZINC000652430215 975530969 /nfs/dbraw/zinc/53/09/69/975530969.db2.gz SYRWHBJPGLXTLV-LBPRGKRZSA-N -1 0 334.441 3.571 20 0 EHADRM O=C([O-])CN(Cc1csc(C2CCCC2)n1)Cc1ccccc1 ZINC000652456028 975539023 /nfs/dbraw/zinc/53/90/23/975539023.db2.gz WJIXHJWOJDYSNQ-UHFFFAOYSA-N -1 0 330.453 3.888 20 0 EHADRM Cc1ccccc1-c1cnc(CN(CC(=O)[O-])C2CCCCC2)o1 ZINC000652482311 975550260 /nfs/dbraw/zinc/55/02/60/975550260.db2.gz WKGGECBWVQHWQG-UHFFFAOYSA-N -1 0 328.412 3.869 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N(C)[C@@H](C)c2ccccc2)c(C)c1 ZINC000107971865 1014267856 /nfs/dbraw/zinc/26/78/56/1014267856.db2.gz XSIZZSRMWNROFK-QMHKHESXSA-N -1 0 329.465 3.631 20 0 EHADRM CC[C@H](C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccc(F)cc1 ZINC000653328095 975589508 /nfs/dbraw/zinc/58/95/08/975589508.db2.gz DJQYQDHGQBHJSU-QGTPRVQTSA-N -1 0 341.382 3.749 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N[C@H](c2ccccc2)C2CCCC2)c1 ZINC000653638990 975604633 /nfs/dbraw/zinc/60/46/33/975604633.db2.gz LTECOYYSSARENA-HXUWFJFHSA-N -1 0 337.419 3.975 20 0 EHADRM CC(C)(CCNC(=O)Cc1coc2ccc3ccccc3c12)C(=O)[O-] ZINC000653649818 975616141 /nfs/dbraw/zinc/61/61/41/975616141.db2.gz AZPOFMSJNLLGSM-UHFFFAOYSA-N -1 0 339.391 3.746 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000656233005 975647130 /nfs/dbraw/zinc/64/71/30/975647130.db2.gz KSVGGIZFEVOMPT-BFUOFWGJSA-N -1 0 329.371 3.532 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)C[C@]23CCCC[C@H]2C3(F)F)cc1F ZINC000656474674 975658155 /nfs/dbraw/zinc/65/81/55/975658155.db2.gz FXDBEBMHHVUQLU-CZUORRHYSA-N -1 0 341.329 3.607 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(NCC[C@@]3(C)CC3(F)F)c12 ZINC000656785252 975707003 /nfs/dbraw/zinc/70/70/03/975707003.db2.gz VXSDIBXUCJPMBW-AWEZNQCLSA-N -1 0 341.383 3.854 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)[C@H]1CCCC2(CC2)C1)C(=O)[O-] ZINC000659123078 975723449 /nfs/dbraw/zinc/72/34/49/975723449.db2.gz LSGGFNWNCBFNCX-WBVHZDCISA-N -1 0 329.440 3.706 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)[C@@H]2CCCC3(CC3)C2)cc1 ZINC000659138335 975738169 /nfs/dbraw/zinc/73/81/69/975738169.db2.gz VLCJNNRPKNNYQQ-CQSZACIVSA-N -1 0 331.412 3.839 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1)C(=O)[O-] ZINC000659145655 975745912 /nfs/dbraw/zinc/74/59/12/975745912.db2.gz CRBJCSGDBDPJMR-CHWSQXEVSA-N -1 0 339.391 3.526 20 0 EHADRM CC(C)Oc1c(NC(=O)C[C@@H]2CCCC2(F)F)cccc1C(=O)[O-] ZINC001591741493 975756008 /nfs/dbraw/zinc/75/60/08/975756008.db2.gz JICLDBNZPCJYPH-NSHDSACASA-N -1 0 341.354 3.936 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCc2ccc(Cl)cc2[C@H](C)C1 ZINC000659163993 975762975 /nfs/dbraw/zinc/76/29/75/975762975.db2.gz NFXHZJNXIFPDTC-SNVBAGLBSA-N -1 0 347.798 3.742 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000659192190 975789265 /nfs/dbraw/zinc/78/92/65/975789265.db2.gz MJXAONFVQISOHI-IJEWVQPXSA-N -1 0 335.831 3.754 20 0 EHADRM CC(C)(CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21)c1ccccc1 ZINC000659196490 975800776 /nfs/dbraw/zinc/80/07/76/975800776.db2.gz VAMSPBGTUOAMIT-OKZBNKHCSA-N -1 0 343.467 3.846 20 0 EHADRM O=C([O-])C[C@H](CNC(=O)CSc1ccc2ccccc2c1)C1CC1 ZINC000659204950 975814402 /nfs/dbraw/zinc/81/44/02/975814402.db2.gz PRKMOXLODIQZME-MRXNPFEDSA-N -1 0 343.448 3.549 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NC[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C ZINC001591768076 975887217 /nfs/dbraw/zinc/88/72/17/975887217.db2.gz ZAWBMBOWUWATGJ-MXAVVETBSA-N -1 0 346.427 3.586 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001591769682 975894619 /nfs/dbraw/zinc/89/46/19/975894619.db2.gz VXSXHEFEDSVJER-AEGPPILISA-N -1 0 331.412 3.937 20 0 EHADRM CC(C)Oc1ccc(Cl)cc1C(=O)N[C@@](C)(CC(=O)[O-])C1CC1 ZINC001591774927 975913679 /nfs/dbraw/zinc/91/36/79/975913679.db2.gz ADOCRTRJCOPENO-KRWDZBQOSA-N -1 0 339.819 3.500 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NCc1cccc2c1CCOC2 ZINC001591773365 975913845 /nfs/dbraw/zinc/91/38/45/975913845.db2.gz ZFSBQYIVZWGQOW-UHFFFAOYSA-N -1 0 341.407 3.857 20 0 EHADRM Cc1cccc(Oc2ccccc2NC(=O)NCC2(C(=O)[O-])CC2)c1 ZINC000663341192 975944904 /nfs/dbraw/zinc/94/49/04/975944904.db2.gz JTFDZAGOENHULB-UHFFFAOYSA-N -1 0 340.379 3.774 20 0 EHADRM O=C([O-])CCCCNC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000666518306 975965451 /nfs/dbraw/zinc/96/54/51/975965451.db2.gz TVOHNKFONFSAGJ-QGZVFWFLSA-N -1 0 336.407 3.611 20 0 EHADRM Cc1cc(CNC(=O)NCCCCC(=O)[O-])ccc1-c1ccccc1 ZINC000666543238 975969306 /nfs/dbraw/zinc/96/93/06/975969306.db2.gz QPEFJDGFYAEAJS-UHFFFAOYSA-N -1 0 340.423 3.716 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C(C2CCC2)C2CCC2)C[C@H]1c1ccccc1 ZINC000668285664 975985682 /nfs/dbraw/zinc/98/56/82/975985682.db2.gz NUQHBNWYGPVFKE-ZWKOTPCHSA-N -1 0 341.451 3.530 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NCCc1ccc(-c2ccccc2)cc1 ZINC000675723754 976014397 /nfs/dbraw/zinc/01/43/97/976014397.db2.gz XUZFTBJSIHGYIC-UHFFFAOYSA-N -1 0 339.435 3.903 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000676002698 976027222 /nfs/dbraw/zinc/02/72/22/976027222.db2.gz UZOPVGUPTUQBIP-CQSZACIVSA-N -1 0 325.792 3.715 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cnc(-c2ccc(C)cc2C)s1 ZINC000676561971 976029683 /nfs/dbraw/zinc/02/96/83/976029683.db2.gz BYMJYJIKZAAELT-CYBMUJFWSA-N -1 0 346.452 3.752 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000679102434 976043400 /nfs/dbraw/zinc/04/34/00/976043400.db2.gz XYOXHKVGQMNAQH-GOEBONIOSA-N -1 0 349.446 3.744 20 0 EHADRM Cc1ccc(Cl)c(OCC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000682621496 976076356 /nfs/dbraw/zinc/07/63/56/976076356.db2.gz VWQNBRKLNXXGRW-UHFFFAOYSA-N -1 0 347.798 3.981 20 0 EHADRM Cc1ccc(C)c(C(=O)CCC(=O)Nc2cccc(C(=O)[O-])c2C)c1 ZINC000685018877 976093367 /nfs/dbraw/zinc/09/33/67/976093367.db2.gz MPMCMDYTOIQUGL-UHFFFAOYSA-N -1 0 339.391 3.912 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CC(=O)N[C@@H](CC(F)F)C(=O)[O-])c2ccccc21 ZINC001591846861 976131874 /nfs/dbraw/zinc/13/18/74/976131874.db2.gz ZMGNYCNMTFNDJE-CQDKDKBSSA-N -1 0 339.382 3.528 20 0 EHADRM CC(C)c1ccc(-c2nc(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)cs2)cc1 ZINC001591935581 976453842 /nfs/dbraw/zinc/45/38/42/976453842.db2.gz CGRDEIOFSQURKC-OKILXGFUSA-N -1 0 344.436 3.527 20 0 EHADRM CC(C)c1ccc(C(=O)COC(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC001591943890 976485494 /nfs/dbraw/zinc/48/54/94/976485494.db2.gz XVMCEDUVWYANAE-UHFFFAOYSA-N -1 0 344.338 3.687 20 0 EHADRM CC(C)c1ccc(C(C)(C)NC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)cc1 ZINC001591947826 976494964 /nfs/dbraw/zinc/49/49/64/976494964.db2.gz YLELNXKXAMMDFR-GUXCAODWSA-N -1 0 344.455 3.598 20 0 EHADRM CC(C)c1ccc([C@@H]2CCCN2C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cc1 ZINC001591949766 976509588 /nfs/dbraw/zinc/50/95/88/976509588.db2.gz ZNEKTIISLONYEK-BBWFWOEESA-N -1 0 330.428 3.520 20 0 EHADRM CC(C)c1ccc(CC2CCN(c3cnc(C(=O)[O-])cn3)CC2)cc1 ZINC001591952364 976509696 /nfs/dbraw/zinc/50/96/96/976509696.db2.gz ALKMUUDDZHXIIX-UHFFFAOYSA-N -1 0 339.439 3.757 20 0 EHADRM CC(C)c1ccc(NC(=O)Cc2ccc3c(c2)COC3)c(C(=O)[O-])c1 ZINC001591965008 976554783 /nfs/dbraw/zinc/55/47/83/976554783.db2.gz BTYIXSJDGYCXRY-UHFFFAOYSA-N -1 0 339.391 3.720 20 0 EHADRM CC(C)c1ccc(NC(=O)c2ccnc(Cl)c2F)c(C(=O)[O-])c1 ZINC001591969085 976568103 /nfs/dbraw/zinc/56/81/03/976568103.db2.gz XKOJHGDZQSUWSK-UHFFFAOYSA-N -1 0 336.750 3.948 20 0 EHADRM CC(C)c1ccc(OCC(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001591973931 976582558 /nfs/dbraw/zinc/58/25/58/976582558.db2.gz KHUJTXPKHTWQOR-GOSISDBHSA-N -1 0 347.455 3.586 20 0 EHADRM CC(C)c1ccc2c(c1)CCN(C(=O)c1ccsc1CC(=O)[O-])C2 ZINC001591974048 976583492 /nfs/dbraw/zinc/58/34/92/976583492.db2.gz PLEQYBRJZPSWRP-UHFFFAOYSA-N -1 0 343.448 3.697 20 0 EHADRM CC(C)c1cccc(CNC(=O)NCc2ccc(C(=O)[O-])cc2F)c1 ZINC001591986327 976606627 /nfs/dbraw/zinc/60/66/27/976606627.db2.gz BOHUOASVKBLKDO-UHFFFAOYSA-N -1 0 344.386 3.647 20 0 EHADRM CC(C)c1ccccc1OS(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001592004461 976668317 /nfs/dbraw/zinc/66/83/17/976668317.db2.gz RDQBEOHCEZXIGK-UHFFFAOYSA-N -1 0 344.772 3.522 20 0 EHADRM O=C(Nc1cncc2ccccc21)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000579740606 1014348560 /nfs/dbraw/zinc/34/85/60/1014348560.db2.gz ULDLSHGTCVVCMW-UHFFFAOYSA-N -1 0 348.337 3.518 20 0 EHADRM CC(C)c1nn(C)c(Cl)c1CNc1ccc(C(=O)[O-])c(F)c1 ZINC001592043506 976776511 /nfs/dbraw/zinc/77/65/11/976776511.db2.gz HQAATTHWCJHSQS-UHFFFAOYSA-N -1 0 325.771 3.646 20 0 EHADRM CC(C)n1ccnc1C(=O)CSc1cc(Cl)ccc1C(=O)[O-] ZINC001592142653 976990150 /nfs/dbraw/zinc/99/01/50/976990150.db2.gz KVGLVLIQBRWVIZ-UHFFFAOYSA-N -1 0 338.816 3.791 20 0 EHADRM Cc1c(NC(=O)Cc2cccc(Br)c2)cccc1C(=O)[O-] ZINC000061857383 1014368218 /nfs/dbraw/zinc/36/82/18/1014368218.db2.gz DIEUFFQVLSEYCA-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM C[C@@H](C1CC1)N(C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)C1CC1 ZINC001592178085 977079699 /nfs/dbraw/zinc/07/96/99/977079699.db2.gz CJSIQCWTWKTJHW-QMMMGPOBSA-N -1 0 340.782 3.972 20 0 EHADRM C[C@H](C1CC1)n1cc(NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cn1 ZINC001592181261 977101439 /nfs/dbraw/zinc/10/14/39/977101439.db2.gz JGQZCMCBZFGSAR-SECBINFHSA-N -1 0 348.790 3.850 20 0 EHADRM C[C@H](/C=C\C(=O)[O-])NC(=O)C1(c2c(Cl)cccc2Cl)CCC1 ZINC001592191652 977135857 /nfs/dbraw/zinc/13/58/57/977135857.db2.gz BUFDDBUCFDTGGQ-JYESYGNLSA-N -1 0 342.222 3.561 20 0 EHADRM C[C@@H](/C=C/C(=O)[O-])NC(=O)c1cc(-c2ccccc2)ccc1Cl ZINC001592202358 977218461 /nfs/dbraw/zinc/21/84/61/977218461.db2.gz UHRHGTQWYAVIIX-PMDBQALLSA-N -1 0 329.783 3.766 20 0 EHADRM C[C@@H](CC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])c1ccccc1F ZINC001592242481 977461291 /nfs/dbraw/zinc/46/12/91/977461291.db2.gz JFVRTHXFDKMFEI-SUMWQHHRSA-N -1 0 335.419 3.859 20 0 EHADRM C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)Nc1cccc2ncccc21 ZINC001592274439 977548266 /nfs/dbraw/zinc/54/82/66/977548266.db2.gz OBXLFXJGMXAXKK-CYBMUJFWSA-N -1 0 349.390 3.762 20 0 EHADRM C[C@@H](CC(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2)CC(C)(C)C ZINC001592278507 977565615 /nfs/dbraw/zinc/56/56/15/977565615.db2.gz XMRSKWCSNKLGME-WDEREUQCSA-N -1 0 338.473 3.734 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)Cc1ccccc1Cl)c1cccc(F)c1 ZINC001592290764 977616657 /nfs/dbraw/zinc/61/66/57/977616657.db2.gz UGDCHJZYFPPPJC-GOSISDBHSA-N -1 0 349.789 3.528 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)Nc1ccc(F)c(C(F)(F)F)c1)C1CC1 ZINC001592296686 977629257 /nfs/dbraw/zinc/62/92/57/977629257.db2.gz GDJZWQVFBOQULM-AWEZNQCLSA-N -1 0 348.296 3.609 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)c1cc2cccc(Cl)c2s1)C1CC1 ZINC001592304112 977661598 /nfs/dbraw/zinc/66/15/98/977661598.db2.gz JYFRVUHBFWWUTD-INIZCTEOSA-N -1 0 337.828 3.928 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)c1ccccc1CCC(F)(F)F)C1CC1 ZINC001592309489 977679404 /nfs/dbraw/zinc/67/94/04/977679404.db2.gz SRJGRFJWGBOGKM-MRXNPFEDSA-N -1 0 343.345 3.555 20 0 EHADRM C[C@@](CC(=O)[O-])(NCc1cccc(Cl)c1Cl)c1ccccn1 ZINC001592327506 977741229 /nfs/dbraw/zinc/74/12/29/977741229.db2.gz BXUCRCRAUIBCGH-INIZCTEOSA-N -1 0 339.222 3.868 20 0 EHADRM COc1ccc(CO)cc1Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001211489625 1014426471 /nfs/dbraw/zinc/42/64/71/1014426471.db2.gz FOSPLUHJTAAZTG-UHFFFAOYSA-N -1 0 341.285 3.648 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cn1 ZINC001592361902 977853195 /nfs/dbraw/zinc/85/31/95/977853195.db2.gz KGQLHRJFQMTFNO-SNVBAGLBSA-N -1 0 334.759 3.577 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC001592374704 977902639 /nfs/dbraw/zinc/90/26/39/977902639.db2.gz DIDIXVYNYPCOQS-NWDGAFQWSA-N -1 0 341.810 3.514 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCc2cc(-c3cccc(F)c3)ccc21 ZINC001592375949 977915260 /nfs/dbraw/zinc/91/52/60/977915260.db2.gz XXMYOSQWMRWTBO-ZDUSSCGKSA-N -1 0 341.382 3.883 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC001592381982 977922240 /nfs/dbraw/zinc/92/22/40/977922240.db2.gz SPZGHKKELLWDIY-ABKXIKBNSA-N -1 0 327.783 3.547 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC001592391600 977938693 /nfs/dbraw/zinc/93/86/93/977938693.db2.gz NGLVDRZLEIDZMX-BDAKNGLRSA-N -1 0 349.761 3.620 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Oc1cccc(OCc2ccccc2)c1 ZINC001592402035 977968395 /nfs/dbraw/zinc/96/83/95/977968395.db2.gz MBVPAUTUQMHQSB-CQSZACIVSA-N -1 0 328.364 3.672 20 0 EHADRM C[C@H](CC(=O)[O-])c1nc([C@@H](F)c2ccc(C(F)(F)F)cc2)no1 ZINC001592425027 978048905 /nfs/dbraw/zinc/04/89/05/978048905.db2.gz ZVSCJADVJLVJQK-HQJQHLMTSA-N -1 0 332.253 3.726 20 0 EHADRM C[C@@H](CC(F)(F)F)C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001592451841 978139111 /nfs/dbraw/zinc/13/91/11/978139111.db2.gz HGWFBLYRRFBOPX-HZMBPMFUSA-N -1 0 339.313 3.670 20 0 EHADRM C[C@@H](CC1CCCCC1)C(=O)N[C@@](C)(Cc1ccc(F)cc1)C(=O)[O-] ZINC001592466221 978211442 /nfs/dbraw/zinc/21/14/42/978211442.db2.gz RYFJYUBLLJOJAW-XOBRGWDASA-N -1 0 349.446 3.934 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)CNc1ccc(C(=O)[O-])cc1 ZINC000736300048 978318490 /nfs/dbraw/zinc/31/84/90/978318490.db2.gz QXFSPUSIABYWFJ-UHFFFAOYSA-N -1 0 326.396 3.733 20 0 EHADRM Cc1ccc(NC(=O)C(C)C)cc1N[C@@H](C(=O)[O-])c1ccccc1 ZINC000738280486 978510967 /nfs/dbraw/zinc/51/09/67/978510967.db2.gz NLRHDGVCJRCGHZ-QGZVFWFLSA-N -1 0 326.396 3.827 20 0 EHADRM Cc1ccc(OC(=O)CCOc2cc(C)cc(C)c2)c(C(=O)[O-])c1 ZINC000738363723 978524567 /nfs/dbraw/zinc/52/45/67/978524567.db2.gz JYVFLTSGFCGIQE-UHFFFAOYSA-N -1 0 328.364 3.685 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1CC(C)(C)C)C(=O)[O-] ZINC001592605182 978550687 /nfs/dbraw/zinc/55/06/87/978550687.db2.gz IZPLLMVZFANBSV-HYVNUMGLSA-N -1 0 331.456 3.808 20 0 EHADRM Cc1sc(-c2ccco2)nc1C(=O)Oc1ccc(C)cc1C(=O)[O-] ZINC000738640370 978579569 /nfs/dbraw/zinc/57/95/69/978579569.db2.gz YQQKATFVFBIGEV-UHFFFAOYSA-N -1 0 343.360 3.937 20 0 EHADRM C[C@@H](CNC(=O)CC1(CC(=O)[O-])CCCC1)c1ccc(F)cc1F ZINC001592646219 978625237 /nfs/dbraw/zinc/62/52/37/978625237.db2.gz UACFUSBMHKJKTR-LBPRGKRZSA-N -1 0 339.382 3.610 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2ccc(SC(F)F)cc2)cc1 ZINC000746360455 978683587 /nfs/dbraw/zinc/68/35/87/978683587.db2.gz VXYYVTZRWJYDRY-UHFFFAOYSA-N -1 0 337.347 3.881 20 0 EHADRM CCCC[C@H](NC(=O)/C=C\c1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000753912683 978694850 /nfs/dbraw/zinc/69/48/50/978694850.db2.gz CPQFVBVIBANXPI-SQVRQVGWSA-N -1 0 345.439 3.781 20 0 EHADRM CC[C@@H](C)n1ncc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1C1CC1 ZINC000761665970 978714077 /nfs/dbraw/zinc/71/40/77/978714077.db2.gz WJGYVTDKIAAGIW-SNVBAGLBSA-N -1 0 345.374 3.821 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)NC(C1CCCC1)C1CCCC1 ZINC000762288708 978719970 /nfs/dbraw/zinc/71/99/70/978719970.db2.gz SKJPBZGIYMYGPA-UHFFFAOYSA-N -1 0 329.440 3.793 20 0 EHADRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)/C=C/C1CCCCC1 ZINC000762239782 978720116 /nfs/dbraw/zinc/72/01/16/978720116.db2.gz XNIAJDDEIOTMKE-YLZCUGDYSA-N -1 0 329.440 3.715 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)ccc1F ZINC000767095007 978734381 /nfs/dbraw/zinc/73/43/81/978734381.db2.gz COGCJXGOYZHJRG-UHFFFAOYSA-N -1 0 332.718 3.911 20 0 EHADRM Cc1cc(/C=C\C(=O)N2CC[C@H](C(=O)[O-])C2)c(C)n1C1CCCCC1 ZINC000769510738 978741581 /nfs/dbraw/zinc/74/15/81/978741581.db2.gz UTNXMCVAWLZHDF-JJEJIETFSA-N -1 0 344.455 3.556 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000777381176 978778561 /nfs/dbraw/zinc/77/85/61/978778561.db2.gz RCHWDBWELWLLDY-AWEZNQCLSA-N -1 0 335.419 3.546 20 0 EHADRM CCN(Cc1ccc(OC)cc1)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811815541 978859257 /nfs/dbraw/zinc/85/92/57/978859257.db2.gz SSCHKDSDIIRUQO-UHFFFAOYSA-N -1 0 347.798 3.709 20 0 EHADRM CCOCc1ccc(CNC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000811815879 978859326 /nfs/dbraw/zinc/85/93/26/978859326.db2.gz DTGFMDUVSAEDBF-UHFFFAOYSA-N -1 0 347.798 3.505 20 0 EHADRM CC[C@H](NC(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccccc1OC ZINC000811816331 978859976 /nfs/dbraw/zinc/85/99/76/978859976.db2.gz UAVYCXIEMHZMTO-HNNXBMFYSA-N -1 0 347.798 3.928 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC000811821581 978865592 /nfs/dbraw/zinc/86/55/92/978865592.db2.gz JTYPINFHSYFMOX-UONOGXRCSA-N -1 0 339.844 3.538 20 0 EHADRM C[C@H](NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)[C@@H](C)c1ccccc1 ZINC000827653902 978962921 /nfs/dbraw/zinc/96/29/21/978962921.db2.gz TZBZFQGMSTVBKH-KGLIPLIRSA-N -1 0 338.407 3.602 20 0 EHADRM CC1(c2ccccc2)CC(NC(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000828253190 978977545 /nfs/dbraw/zinc/97/75/45/978977545.db2.gz HWGCHFCUECLDGA-UHFFFAOYSA-N -1 0 343.810 3.888 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000829005322 978991555 /nfs/dbraw/zinc/99/15/55/978991555.db2.gz YTHIBTRRJISGOJ-XOYOTBSWSA-N -1 0 347.455 3.645 20 0 EHADRM CCc1ccc([C@H](NC(=O)N2CCC[C@H]2CC(=O)[O-])C(C)C)cc1 ZINC000830236684 979015373 /nfs/dbraw/zinc/01/53/73/979015373.db2.gz CTOQAGBPDJAAPL-FUHWJXTLSA-N -1 0 332.444 3.595 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)c2ccc(OC3CCC3)cc2)cc1 ZINC000830514847 979019538 /nfs/dbraw/zinc/01/95/38/979019538.db2.gz YKXYRAUXHHZRSV-UHFFFAOYSA-N -1 0 340.379 3.984 20 0 EHADRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)CC1CCCC1 ZINC000832848097 979049675 /nfs/dbraw/zinc/04/96/75/979049675.db2.gz NRLBUNXEOPKEMX-UHFFFAOYSA-N -1 0 340.217 3.975 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCC2(c3ccc(F)cc3)CC2)cc1F ZINC000833138445 979091953 /nfs/dbraw/zinc/09/19/53/979091953.db2.gz DVKFJDMQLFABNI-UHFFFAOYSA-N -1 0 346.333 3.516 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(Cl)cc1-c1ccccc1)C(=O)[O-] ZINC001592683316 979111310 /nfs/dbraw/zinc/11/13/10/979111310.db2.gz XMIKZQJLFARHEZ-LLVKDONJSA-N -1 0 332.787 3.849 20 0 EHADRM CC[C@H](CC(=O)N1c2c(cccc2C(=O)[O-])NC(=O)[C@@H]1C)C(C)(C)C ZINC001595033256 979174342 /nfs/dbraw/zinc/17/43/42/979174342.db2.gz GVVJYIYXQFAVFK-NWDGAFQWSA-N -1 0 346.427 3.521 20 0 EHADRM CC[C@H](CC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1)C(C)C ZINC001595034101 979181077 /nfs/dbraw/zinc/18/10/77/979181077.db2.gz YWPYQMWTYIZUDQ-BMIGLBTASA-N -1 0 329.799 3.793 20 0 EHADRM CC[C@H](CC(=O)Nc1ccc(C(=O)[O-])s1)c1ccc(OC)cc1 ZINC001595037152 979203824 /nfs/dbraw/zinc/20/38/24/979203824.db2.gz QKYXHZLBOJLDSX-LLVKDONJSA-N -1 0 333.409 3.977 20 0 EHADRM C[C@H](CNc1ncc(C(=O)[O-])cc1C(F)(F)F)Oc1ccccc1 ZINC001592730506 979249520 /nfs/dbraw/zinc/24/95/20/979249520.db2.gz WPKLXDGFVTZCTJ-SNVBAGLBSA-N -1 0 340.301 3.678 20 0 EHADRM CC(C)(C)SCC(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000836754189 979260186 /nfs/dbraw/zinc/26/01/86/979260186.db2.gz CFZHQTIPVWLJCU-GFCCVEGCSA-N -1 0 349.374 3.636 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1cccc2c1OC(C)(C)C2 ZINC001595050629 979279738 /nfs/dbraw/zinc/27/97/38/979279738.db2.gz VDHHBGLKPNENSZ-UHFFFAOYSA-N -1 0 334.416 3.555 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1csc(C2CCCCC2)n1 ZINC001595054059 979292895 /nfs/dbraw/zinc/29/28/95/979292895.db2.gz ZMPWDLKLYHCOKR-UHFFFAOYSA-N -1 0 338.473 3.954 20 0 EHADRM O=C([O-])c1ccc(CNc2ccc(O[C@H]3CCCC[C@H]3O)cc2)cc1 ZINC000840994745 979293538 /nfs/dbraw/zinc/29/35/38/979293538.db2.gz CCMJFMQFAMDWSY-MOPGFXCFSA-N -1 0 341.407 3.679 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCc2ccco2)ccc1N1CCCCC1 ZINC000841501531 979302840 /nfs/dbraw/zinc/30/28/40/979302840.db2.gz KIOKPUZBNIAOTF-UHFFFAOYSA-N -1 0 342.395 3.539 20 0 EHADRM CCC(CC)(NC(=O)[C@@H](c1ccncc1)C1CCCCC1)C(=O)[O-] ZINC001595092712 979385970 /nfs/dbraw/zinc/38/59/70/979385970.db2.gz DSRYILRKWQTYSM-MRXNPFEDSA-N -1 0 332.444 3.505 20 0 EHADRM O=C([O-])CCCC(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000844247253 979391900 /nfs/dbraw/zinc/39/19/00/979391900.db2.gz GOZZFTRAAJIYLL-ZDUSSCGKSA-N -1 0 329.318 3.624 20 0 EHADRM CN(Cc1ccccc1)c1ccc(NC(=O)CCCC(=O)[O-])cc1 ZINC000844250568 979393947 /nfs/dbraw/zinc/39/39/47/979393947.db2.gz NBSCXTAPEFSWCK-UHFFFAOYSA-N -1 0 326.396 3.516 20 0 EHADRM CCC(CC)C(=O)Nc1c(C)c(Br)ccc1C(=O)[O-] ZINC001595105410 979422233 /nfs/dbraw/zinc/42/22/33/979422233.db2.gz MUHKQGRWQKIZDB-UHFFFAOYSA-N -1 0 328.206 3.830 20 0 EHADRM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000471119865 1014576720 /nfs/dbraw/zinc/57/67/20/1014576720.db2.gz ANIVNESWYFATFC-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM CCC(CC)[C@@H]1C[C@H](NC(=O)Nc2ccc(C(=O)[O-])s2)CCO1 ZINC001595110343 979455780 /nfs/dbraw/zinc/45/57/80/979455780.db2.gz YZYFEYHVEDQRKR-NEPJUHHUSA-N -1 0 340.445 3.552 20 0 EHADRM CCC(CC)N(C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1)C1CC1 ZINC001595114410 979463891 /nfs/dbraw/zinc/46/38/91/979463891.db2.gz KWQQRYFSLALTSO-UHFFFAOYSA-N -1 0 339.461 3.690 20 0 EHADRM C[C@H](CNC(=O)Nc1cc(F)c(SC(C)(C)C)c(F)c1)C(=O)[O-] ZINC000846798220 979466836 /nfs/dbraw/zinc/46/68/36/979466836.db2.gz OSTWGMXEJKRGBL-MRVPVSSYSA-N -1 0 346.399 3.698 20 0 EHADRM CCc1cc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)sc1-c1ccccc1 ZINC000848878909 979484529 /nfs/dbraw/zinc/48/45/29/979484529.db2.gz MYMLFVOEHMOGQQ-SWLSCSKDSA-N -1 0 343.448 3.913 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)N(C)c2ncc(C(=O)[O-])s2)cc1 ZINC001595121547 979493009 /nfs/dbraw/zinc/49/30/09/979493009.db2.gz PECWSKYGHFQLSP-UHFFFAOYSA-N -1 0 348.424 3.685 20 0 EHADRM CCC(CC)n1ccc(C(=O)N(CCC(=O)[O-])c2ccccc2C)n1 ZINC001595122037 979500386 /nfs/dbraw/zinc/50/03/86/979500386.db2.gz JYVCPGFEKGJGIJ-UHFFFAOYSA-N -1 0 343.427 3.674 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)o1 ZINC000851594868 979507377 /nfs/dbraw/zinc/50/73/77/979507377.db2.gz MHQGSYQLKNXEBS-GKUQOKNUSA-N -1 0 337.375 3.670 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851601469 979521580 /nfs/dbraw/zinc/52/15/80/979521580.db2.gz LEUPKQIBILUMCU-JXMROGBWSA-N -1 0 343.379 3.936 20 0 EHADRM C[C@H](CSC(F)(F)F)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC001592824151 979536125 /nfs/dbraw/zinc/53/61/25/979536125.db2.gz FKCWSOJMNNNSJS-PWSUYJOCSA-N -1 0 349.374 3.598 20 0 EHADRM CC(C)(C)c1ccc(CCCC(=O)N[C@@](C)(CCF)C(=O)[O-])cc1 ZINC000851621878 979553426 /nfs/dbraw/zinc/55/34/26/979553426.db2.gz YLCCCXRXUWGSPM-IBGZPJMESA-N -1 0 337.435 3.626 20 0 EHADRM CC(C)c1ccc(C[C@@H](C)NC(=O)NC[C@H](CC(=O)[O-])C2CC2)cc1 ZINC001592834659 979578358 /nfs/dbraw/zinc/57/83/58/979578358.db2.gz UGEWDRAJBQBRJN-KDOFPFPSSA-N -1 0 346.471 3.541 20 0 EHADRM Cc1nc([C@H](C)NC(=O)c2cccc(C(C)(C)C)c2)sc1C(=O)[O-] ZINC000584301944 1032096424 /nfs/dbraw/zinc/09/64/24/1032096424.db2.gz LYCPBAUPDGJNTH-NSHDSACASA-N -1 0 346.452 3.938 20 0 EHADRM C[C@@](Cc1ccc(Cl)cc1)(NC(=O)C1CCCCCC1)C(=O)[O-] ZINC001592839891 979601403 /nfs/dbraw/zinc/60/14/03/979601403.db2.gz XZQHVCAQQDSXNR-SFHVURJKSA-N -1 0 337.847 3.812 20 0 EHADRM CC(C)(C)Sc1ccc(NC(=O)NCC2(C(=O)[O-])CC2)cc1F ZINC000853096192 979602087 /nfs/dbraw/zinc/60/20/87/979602087.db2.gz RNEWLLYJRAFADZ-UHFFFAOYSA-N -1 0 340.420 3.703 20 0 EHADRM C/C(=C\C(=O)N[C@H](C)[C@H](Cc1ccccc1)C(=O)[O-])c1cccs1 ZINC000856925992 979611819 /nfs/dbraw/zinc/61/18/19/979611819.db2.gz JRVQEVUYQKOKBM-IWNKFFNMSA-N -1 0 343.448 3.600 20 0 EHADRM C/C(=C\C(=O)N[C@H](C)[C@@H](Cc1ccccc1)C(=O)[O-])c1cccs1 ZINC000856925993 979611961 /nfs/dbraw/zinc/61/19/61/979611961.db2.gz JRVQEVUYQKOKBM-VDAYMNBPSA-N -1 0 343.448 3.600 20 0 EHADRM CC[C@H](CNC(=O)Nc1ccc2nc(C(C)(C)C)sc2c1)C(=O)[O-] ZINC001595153761 979655427 /nfs/dbraw/zinc/65/54/27/979655427.db2.gz GRJKUHYRYVREHW-SNVBAGLBSA-N -1 0 349.456 3.826 20 0 EHADRM CC(C)[C@H]1N(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)CC1(C)C ZINC001592860338 979689346 /nfs/dbraw/zinc/68/93/46/979689346.db2.gz HQSOIXCDUVQFHT-XJKSGUPXSA-N -1 0 332.444 3.848 20 0 EHADRM Cc1csc(C2(NC(=O)c3ccc(C)c(C(=O)[O-])c3)CCCC2)n1 ZINC000864110441 979700529 /nfs/dbraw/zinc/70/05/29/979700529.db2.gz QEWWAPPSZOEQHS-UHFFFAOYSA-N -1 0 344.436 3.657 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)/C=C/c2cc(C(=O)[O-])co2)o1 ZINC000864112513 979704446 /nfs/dbraw/zinc/70/44/46/979704446.db2.gz ITTXXVBLWMKVMH-XVBBPSCPSA-N -1 0 343.379 3.892 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)c1cccc2nccnc21 ZINC000864115900 979708532 /nfs/dbraw/zinc/70/85/32/979708532.db2.gz ICUPNFIWNOHYRU-UHFFFAOYSA-N -1 0 343.342 3.734 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc(OCc2ccccc2)cs1 ZINC000864119013 979713405 /nfs/dbraw/zinc/71/34/05/979713405.db2.gz SXIZTACCJDOQGV-GOSISDBHSA-N -1 0 347.436 3.700 20 0 EHADRM COc1cc(C)cc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c1C ZINC000864120610 979716349 /nfs/dbraw/zinc/71/63/49/979716349.db2.gz ZJRMJRUJYBYELI-KBXCAEBGSA-N -1 0 341.407 3.504 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)c1cc2c(cccc2C2CC2)[nH]1 ZINC000864133604 979735216 /nfs/dbraw/zinc/73/52/16/979735216.db2.gz UWDVPWUUDPFNQN-ZDUSSCGKSA-N -1 0 326.396 3.515 20 0 EHADRM Cc1ccccc1CO[C@H](C)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000864134754 979736753 /nfs/dbraw/zinc/73/67/53/979736753.db2.gz CXXTVBUYDACAPQ-OAHLLOKOSA-N -1 0 341.407 3.556 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)Nc2cc(F)cc(F)c2)cc1)C(=O)[O-] ZINC001592873873 979738196 /nfs/dbraw/zinc/73/81/96/979738196.db2.gz WDZRTQISRYKJQJ-JTQLQIEISA-N -1 0 334.322 3.872 20 0 EHADRM CC[C@](CNc1cc(-c2ccccc2)ncn1)(C(=O)[O-])c1ccccc1 ZINC001595172969 979748447 /nfs/dbraw/zinc/74/84/47/979748447.db2.gz WBSGMUDVLITUMU-OAQYLSRUSA-N -1 0 347.418 3.988 20 0 EHADRM CC[C@H](CC(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1)C(C)(C)C ZINC000864150589 979760319 /nfs/dbraw/zinc/76/03/19/979760319.db2.gz VDMUMWZOLGWKHQ-QRWLVFNGSA-N -1 0 331.456 3.704 20 0 EHADRM CC[C@@H](COC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)[O-] ZINC001595180977 979792813 /nfs/dbraw/zinc/79/28/13/979792813.db2.gz BIYVRFLLMODZNU-JTQLQIEISA-N -1 0 332.377 3.575 20 0 EHADRM CC[C@@H](COC(=O)c1ccc(C2SCCCS2)cc1)C(=O)[O-] ZINC001595183254 979815513 /nfs/dbraw/zinc/81/55/13/979815513.db2.gz OOQANVDRUXPEFW-NSHDSACASA-N -1 0 340.466 3.823 20 0 EHADRM CC(C)c1ccc(CN(C)C(=O)/C=C/c2cc(C(=O)[O-])co2)cc1 ZINC000864177375 979822617 /nfs/dbraw/zinc/82/26/17/979822617.db2.gz BTNIANXDCIJUTC-CMDGGOBGSA-N -1 0 327.380 3.773 20 0 EHADRM O=C([O-])c1coc(CNC(=O)C2CCC(c3ccccc3)CC2)c1 ZINC000864194019 979852540 /nfs/dbraw/zinc/85/25/40/979852540.db2.gz YYTSHBWKEWROPR-UHFFFAOYSA-N -1 0 327.380 3.568 20 0 EHADRM CCC[C@H](C(=O)NCc1cc(C(=O)[O-])co1)c1cccc(Cl)c1 ZINC000864194680 979853603 /nfs/dbraw/zinc/85/36/03/979853603.db2.gz JZROROGNNAVVKF-HNNXBMFYSA-N -1 0 335.787 3.831 20 0 EHADRM C[C@@H](Cc1cncc2ccccc21)C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001592908609 979864937 /nfs/dbraw/zinc/86/49/37/979864937.db2.gz FCWYPAUNLMSQMZ-AWEZNQCLSA-N -1 0 349.386 3.855 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)CCc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000864197822 979866811 /nfs/dbraw/zinc/86/68/11/979866811.db2.gz MVFGSXLLYQBWQP-INIZCTEOSA-N -1 0 344.238 3.686 20 0 EHADRM C[C@H](Cc1coc2ccccc12)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001592912905 979882132 /nfs/dbraw/zinc/88/21/32/979882132.db2.gz OUWWCNNBLHLNKC-CYBMUJFWSA-N -1 0 349.390 3.910 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)CCCc1csc2ccccc12)C1CC1 ZINC000864203524 979883395 /nfs/dbraw/zinc/88/33/95/979883395.db2.gz FANYYTRRMDHVDP-IBGZPJMESA-N -1 0 345.464 3.984 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCC(Cc2ccc(Cl)cc2)CC1 ZINC000864217061 979906255 /nfs/dbraw/zinc/90/62/55/979906255.db2.gz LMQRUTHCMBHVGL-ZDUSSCGKSA-N -1 0 337.847 3.622 20 0 EHADRM COc1c(C)cc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cc1C ZINC000864226485 979912933 /nfs/dbraw/zinc/91/29/33/979912933.db2.gz HMHVWIFCXJYKQD-HNNXBMFYSA-N -1 0 339.391 3.531 20 0 EHADRM CC(F)(F)c1cc(F)ccc1N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001592943109 980012152 /nfs/dbraw/zinc/01/21/52/980012152.db2.gz BGCSTPKRHJLZCJ-LBPRGKRZSA-N -1 0 339.317 3.779 20 0 EHADRM CC(F)(F)c1ccc(C(=O)N(CC(=O)[O-])C2CCCCC2)cc1 ZINC001592943378 980014196 /nfs/dbraw/zinc/01/41/96/980014196.db2.gz IHIOQFXYZPQURU-UHFFFAOYSA-N -1 0 325.355 3.658 20 0 EHADRM CC(F)(F)c1cc(F)ccc1NC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC001592943942 980017497 /nfs/dbraw/zinc/01/74/97/980017497.db2.gz QEGSQJBBADYLEV-UHFFFAOYSA-N -1 0 341.329 3.911 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC001595217575 980027086 /nfs/dbraw/zinc/02/70/86/980027086.db2.gz CDDJTMFZWMGJTF-WNHJNPCNSA-N -1 0 343.467 3.808 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)Oc1ccc(C(=O)[O-])cc1OC ZINC001595218336 980032506 /nfs/dbraw/zinc/03/25/06/980032506.db2.gz IOSYXLWDFHKCQT-AWEZNQCLSA-N -1 0 342.391 3.876 20 0 EHADRM CC[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)CCCCC(=O)[O-] ZINC001595219759 980042174 /nfs/dbraw/zinc/04/21/74/980042174.db2.gz QXNNUSSPEJNZKY-ZDUSSCGKSA-N -1 0 345.361 3.788 20 0 EHADRM CC[C@H](NC(=O)C1(c2ccc(C(C)C)cc2)CCCCC1)C(=O)[O-] ZINC001595237105 980141763 /nfs/dbraw/zinc/14/17/63/980141763.db2.gz XCXZNFBEEQUHPH-KRWDZBQOSA-N -1 0 331.456 3.991 20 0 EHADRM C[C@@H](C(=O)N[C@@H](C)[C@H](Cc1ccccc1)C(=O)[O-])[C@@H](C)C(C)(C)C ZINC001592990578 980180614 /nfs/dbraw/zinc/18/06/14/980180614.db2.gz RCKHUWXSGFFXFC-AIANPOQGSA-N -1 0 333.472 3.753 20 0 EHADRM C[C@@H](NC(=O)C1CC2(C1)CCCCC2)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593002333 980214665 /nfs/dbraw/zinc/21/46/65/980214665.db2.gz FTFQHJIYFIWCBQ-CRAIPNDOSA-N -1 0 343.467 3.795 20 0 EHADRM CC[C@H](NC(=O)c1cc(C)c(C(=O)[O-])o1)C(C)(C)c1ccccc1 ZINC001595265313 980274517 /nfs/dbraw/zinc/27/45/17/980274517.db2.gz PJMLUVHVPRMCIG-HNNXBMFYSA-N -1 0 329.396 3.772 20 0 EHADRM CC[C@](NC(=O)c1cc(F)ccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001595265297 980274671 /nfs/dbraw/zinc/27/46/71/980274671.db2.gz NZFDGUGUGLWCHI-QGZVFWFLSA-N -1 0 335.762 3.599 20 0 EHADRM CC[C@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1cccc2ccccc21 ZINC001595265969 980279213 /nfs/dbraw/zinc/27/92/13/980279213.db2.gz OIAOIHFVRUAPDT-KRWDZBQOSA-N -1 0 334.375 3.814 20 0 EHADRM CCc1oc(CNCc2sccc2Br)cc1C(=O)[O-] ZINC000901467932 980300905 /nfs/dbraw/zinc/30/09/05/980300905.db2.gz ZTOILLOSYCDNFE-UHFFFAOYSA-N -1 0 344.230 3.654 20 0 EHADRM Cc1cc(CNc2cccc(CCC(=O)[O-])c2)ncc1Br ZINC000901555043 980380574 /nfs/dbraw/zinc/38/05/74/980380574.db2.gz MEHLDDCPGFDFHP-UHFFFAOYSA-N -1 0 349.228 3.782 20 0 EHADRM CCC(CC)(CNC(=O)c1ccc(SC(F)(F)F)o1)C(=O)[O-] ZINC000901693397 980452754 /nfs/dbraw/zinc/45/27/54/980452754.db2.gz TVTMGCZPZRIWKS-UHFFFAOYSA-N -1 0 339.335 3.512 20 0 EHADRM COCc1cc(NCc2csc(C(C)(C)C)n2)cc(C(=O)[O-])c1 ZINC000901738694 980471838 /nfs/dbraw/zinc/47/18/38/980471838.db2.gz DRBGPFIHVKIHTM-UHFFFAOYSA-N -1 0 334.441 3.897 20 0 EHADRM CC[C@@H](Nc1cccc([C@@H]2CNC(=O)C2)c1)c1ccc(C(=O)[O-])cc1 ZINC001595318584 980501663 /nfs/dbraw/zinc/50/16/63/980501663.db2.gz OVAZIQIDFRRASH-FUHWJXTLSA-N -1 0 338.407 3.552 20 0 EHADRM CC(C)n1cncc1CNc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC000901776611 980507320 /nfs/dbraw/zinc/50/73/20/980507320.db2.gz QQQLBHKCOXBPHQ-UHFFFAOYSA-N -1 0 342.443 3.765 20 0 EHADRM CCC(O)(CC)C(C)(C)NC(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001595321676 980509646 /nfs/dbraw/zinc/50/96/46/980509646.db2.gz MBIVNEAEPJVUKI-UHFFFAOYSA-N -1 0 342.461 3.514 20 0 EHADRM COc1cc2c(c(CNc3cccc([C@@H](C)C(=O)[O-])c3)c1)O[C@@H](C)C2 ZINC000901818517 980538458 /nfs/dbraw/zinc/53/84/58/980538458.db2.gz XNSNBJHRWJHDBB-QWHCGFSZSA-N -1 0 341.407 3.819 20 0 EHADRM Cc1cc([C@@H](NCc2ncc(C(C)(C)C)s2)C(=O)[O-])ccc1F ZINC000901841108 980560107 /nfs/dbraw/zinc/56/01/07/980560107.db2.gz BJRORCTVUYFUQL-OAHLLOKOSA-N -1 0 336.432 3.804 20 0 EHADRM Cc1csc(CN[C@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])n1 ZINC000901844995 980567787 /nfs/dbraw/zinc/56/77/87/980567787.db2.gz VCFNQRJYJLNOOM-GDBMZVCRSA-N -1 0 330.453 3.505 20 0 EHADRM CC[C@@H](OC(=O)c1cc(-c2cccs2)nc2ccccc21)C(=O)[O-] ZINC001595344595 980627580 /nfs/dbraw/zinc/62/75/80/980627580.db2.gz MIBRDYKZGCHFPA-OAHLLOKOSA-N -1 0 341.388 3.983 20 0 EHADRM CCc1nc(C)c([C@H](C)N(C)C(=O)/C=C\c2ccc(C(=O)[O-])o2)s1 ZINC000901922427 980628671 /nfs/dbraw/zinc/62/86/71/980628671.db2.gz NLIUZRAQJBITTG-DVBBHNHCSA-N -1 0 348.424 3.538 20 0 EHADRM CC[C@@H](OC(=O)c1sc(-c2ccccc2)nc1C(F)F)C(=O)[O-] ZINC001595353716 980684465 /nfs/dbraw/zinc/68/44/65/980684465.db2.gz JGRCKLNNVLHBIH-SECBINFHSA-N -1 0 341.335 3.768 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001595355558 980703248 /nfs/dbraw/zinc/70/32/48/980703248.db2.gz CFIJUPKIFBIFNB-RDJZCZTQSA-N -1 0 339.476 3.512 20 0 EHADRM CC(C)(C)NC(=O)c1ccc(NCc2cc(C(=O)[O-])cs2)cc1 ZINC000902092337 980729198 /nfs/dbraw/zinc/72/91/98/980729198.db2.gz HLPSVXYEVHQKLM-UHFFFAOYSA-N -1 0 332.425 3.587 20 0 EHADRM CC[C@H](SCC(=O)Nc1cccc(C(=O)[O-])n1)c1ccccc1 ZINC001595358279 980730469 /nfs/dbraw/zinc/73/04/69/980730469.db2.gz INBUUCLWBKYHDV-AWEZNQCLSA-N -1 0 330.409 3.603 20 0 EHADRM O=C([O-])CCC[C@H]1CCC[C@@H](Nc2ccc3c(c2)CCC(=O)N3)C1 ZINC000902100370 980733664 /nfs/dbraw/zinc/73/36/64/980733664.db2.gz DBYNVOAAQAELRV-UKRRQHHQSA-N -1 0 330.428 3.797 20 0 EHADRM O=C([O-])CCC[C@@H]1CCC[C@H](Nc2ccc3c(c2)CCC(=O)N3)C1 ZINC000902100371 980733697 /nfs/dbraw/zinc/73/36/97/980733697.db2.gz DBYNVOAAQAELRV-ZFWWWQNUSA-N -1 0 330.428 3.797 20 0 EHADRM O=C([O-])/C=C/c1ccc(CNCc2ccccc2OC2CCCC2)o1 ZINC000902104656 980736443 /nfs/dbraw/zinc/73/64/43/980736443.db2.gz NGBOJEWJGYKBGT-VAWYXSNFSA-N -1 0 341.407 3.989 20 0 EHADRM CC[C@@H](Sc1nnc(-c2ccc(OC)cc2)n1CC(C)C)C(=O)[O-] ZINC001595359070 980737722 /nfs/dbraw/zinc/73/77/22/980737722.db2.gz QCYKHSBNVANGOU-CQSZACIVSA-N -1 0 349.456 3.565 20 0 EHADRM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])n1C ZINC001595359426 980741576 /nfs/dbraw/zinc/74/15/76/980741576.db2.gz AJBHZHAPAIBJQA-HOTGVXAUSA-N -1 0 340.423 3.522 20 0 EHADRM C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1Nc1cccc(N2CCCCC2=O)c1 ZINC000902123376 980745682 /nfs/dbraw/zinc/74/56/82/980745682.db2.gz JKQYLLFBKDJEBI-KEYYUXOJSA-N -1 0 330.428 3.505 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)/C(C)=C\c1cccnc1 ZINC001595359972 980746237 /nfs/dbraw/zinc/74/62/37/980746237.db2.gz OTCNOYZBPMRCJS-NZHZHZHDSA-N -1 0 338.407 3.549 20 0 EHADRM CC[C@H](c1ccc(F)cc1)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001595360536 980752605 /nfs/dbraw/zinc/75/26/05/980752605.db2.gz YLBFJSVQWLUWDV-QGZVFWFLSA-N -1 0 329.371 3.870 20 0 EHADRM CCC(C)(C)NC(=O)c1ccc(NCc2ccoc2C(=O)[O-])cc1 ZINC000902150576 980759196 /nfs/dbraw/zinc/75/91/96/980759196.db2.gz KBQVONNUYWBVSE-UHFFFAOYSA-N -1 0 330.384 3.508 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)C1CCC(F)(F)CC1 ZINC001595362005 980767283 /nfs/dbraw/zinc/76/72/83/980767283.db2.gz UAJXGGFZUAUTDX-OAHLLOKOSA-N -1 0 339.382 3.876 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)/C=C(/C)c1ccco1 ZINC001595362153 980768400 /nfs/dbraw/zinc/76/84/00/980768400.db2.gz XQWBBSMYHMKLIB-HECSCLNYSA-N -1 0 327.380 3.747 20 0 EHADRM CCC1(C(=O)Nc2ccc(C(=O)[O-])cc2OC)CCC(F)(F)CC1 ZINC001595368028 980821814 /nfs/dbraw/zinc/82/18/14/980821814.db2.gz QSNCJZKLWOHZEZ-UHFFFAOYSA-N -1 0 341.354 3.938 20 0 EHADRM CC[C@@]1(CCc2ccccc2)CCCN1c1ncc(C(=O)[O-])cn1 ZINC001595376743 980907979 /nfs/dbraw/zinc/90/79/79/980907979.db2.gz LIIPJNVJDWARKT-IBGZPJMESA-N -1 0 325.412 3.557 20 0 EHADRM CCC1(c2ccc(Cl)cc2)CCN(c2cnc(C(=O)[O-])cn2)CC1 ZINC001595397253 980963993 /nfs/dbraw/zinc/96/39/93/980963993.db2.gz HLCOQDLJUUAEHB-UHFFFAOYSA-N -1 0 345.830 3.776 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1OCC(F)F ZINC000538013449 1032102196 /nfs/dbraw/zinc/10/21/96/1032102196.db2.gz YDNTYYXPVMZBKR-UHFFFAOYSA-N -1 0 345.342 3.579 20 0 EHADRM CC[C@H]1C[C@@H](CC(=O)Oc2cc(Cl)ccc2C(=O)[O-])CCO1 ZINC001595412262 981009637 /nfs/dbraw/zinc/00/96/37/981009637.db2.gz BIWYBTFUSSPLCB-JQWIXIFHSA-N -1 0 326.776 3.539 20 0 EHADRM CC[C@H]1C[C@H](CC(=O)OCc2ccc(C(=O)[O-])c(Cl)c2)CCO1 ZINC001595413460 981014286 /nfs/dbraw/zinc/01/42/86/981014286.db2.gz MSBPMOWCJXJCEV-YPMHNXCESA-N -1 0 340.803 3.677 20 0 EHADRM CC[C@@H]1C[C@H](CC(=O)OCc2cc(C(=O)[O-])ccc2Cl)CCO1 ZINC001595413685 981016695 /nfs/dbraw/zinc/01/66/95/981016695.db2.gz QPRJHQVXPLVMEU-BXUZGUMPSA-N -1 0 340.803 3.677 20 0 EHADRM CC[C@H]1CC[C@H](C)N1C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001595416649 981033355 /nfs/dbraw/zinc/03/33/55/981033355.db2.gz XMSOYPPNQZGIRS-STQMWFEESA-N -1 0 334.416 3.967 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)NC1(C(=O)[O-])CCC(CC)CC1 ZINC001595420528 981036072 /nfs/dbraw/zinc/03/60/72/981036072.db2.gz QSLNUSXWFVHYCF-NLGTXKQRSA-N -1 0 339.476 3.654 20 0 EHADRM CC[C@@H]1CCC[C@H](NC(=O)Nc2cc(COC)cc(C(=O)[O-])c2)C1 ZINC001595431736 981054292 /nfs/dbraw/zinc/05/42/92/981054292.db2.gz DYCMJLNYGDTEMY-DOMZBBRYSA-N -1 0 334.416 3.622 20 0 EHADRM CC[C@H]1CCC[C@H](NC(=O)Nc2cc(COC)cc(C(=O)[O-])c2)C1 ZINC001595431829 981054322 /nfs/dbraw/zinc/05/43/22/981054322.db2.gz DYCMJLNYGDTEMY-WFASDCNBSA-N -1 0 334.416 3.622 20 0 EHADRM CC[C@H]1CCCC[C@@H]1CNC(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001595441235 981078908 /nfs/dbraw/zinc/07/89/08/981078908.db2.gz OWANVAIIQKZYAV-UONOGXRCSA-N -1 0 342.439 3.741 20 0 EHADRM COc1ccc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c2ccccc12 ZINC000905119019 981089669 /nfs/dbraw/zinc/08/96/69/981089669.db2.gz UZHHKHZAFVMBAE-OLZOCXBDSA-N -1 0 327.380 3.678 20 0 EHADRM CC[C@@H]1CCCC[C@H]1OCC(=O)N[C@@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC001595448104 981097985 /nfs/dbraw/zinc/09/79/85/981097985.db2.gz MNGCDSPLMGAMTH-SZVBFZGTSA-N -1 0 347.455 3.531 20 0 EHADRM CC[C@@H]1CCCC[C@H]1OCC(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1 ZINC001595448493 981099007 /nfs/dbraw/zinc/09/90/07/981099007.db2.gz RLUJCAUCWAESHS-BPQIPLTHSA-N -1 0 347.455 3.612 20 0 EHADRM Cc1cc(C)cc([C@H](NCc2cc(C(F)(F)F)co2)C(=O)[O-])c1 ZINC000905387262 981105795 /nfs/dbraw/zinc/10/57/95/981105795.db2.gz HHFHZWIRBAWQEV-AWEZNQCLSA-N -1 0 327.302 3.831 20 0 EHADRM CC[C@H]1CCN(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)[C@@H]1C ZINC001595460155 981142618 /nfs/dbraw/zinc/14/26/18/981142618.db2.gz RJQUTPWGWDNXBZ-NEPJUHHUSA-N -1 0 327.384 3.585 20 0 EHADRM CC[C@@H]1CCc2ccccc2N1C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001595467924 981157185 /nfs/dbraw/zinc/15/71/85/981157185.db2.gz JJSIKPVQROJRHC-FJVVXJACSA-N -1 0 325.364 3.749 20 0 EHADRM Cc1cc([C@H](C)NC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)c(C)s1 ZINC000907559707 981190003 /nfs/dbraw/zinc/19/00/03/981190003.db2.gz VVJPQWGXDFUIBT-XGINMYPSSA-N -1 0 343.448 3.801 20 0 EHADRM CC[C@@H]1CN(Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)c2ccccc2O1 ZINC001595488446 981235647 /nfs/dbraw/zinc/23/56/47/981235647.db2.gz ODIVYRMGZMKAJG-GOEBONIOSA-N -1 0 341.407 3.716 20 0 EHADRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)C3CCC(c4ccccc4)CC3)[C@@H]2C1 ZINC000907937108 981242053 /nfs/dbraw/zinc/24/20/53/981242053.db2.gz ZDAMTSQDGVKORC-BLUBZBIGSA-N -1 0 341.451 3.576 20 0 EHADRM O=C([O-])c1ccc2c(c1)N(C(=O)CCCc1c[nH]c3ccccc13)CC2 ZINC000908048057 981257265 /nfs/dbraw/zinc/25/72/65/981257265.db2.gz PSIVJQDZHXAYBB-UHFFFAOYSA-N -1 0 348.402 3.778 20 0 EHADRM CC[C@H]1c2ccc(OC)c(OC)c2CCN1Cc1cc(C(=O)[O-])co1 ZINC001595499445 981264639 /nfs/dbraw/zinc/26/46/39/981264639.db2.gz IUPNUMNLAQADDF-INIZCTEOSA-N -1 0 345.395 3.504 20 0 EHADRM O=C(CC1CCCCCC1)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC000908169747 981276901 /nfs/dbraw/zinc/27/69/01/981276901.db2.gz YHCDCQHKGQFFNW-SWKXRBFHSA-N -1 0 339.501 3.592 20 0 EHADRM CCCC(=CC(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1)CCC ZINC000908178999 981280469 /nfs/dbraw/zinc/28/04/69/981280469.db2.gz ZADUGFLQPZEFEY-SWKXRBFHSA-N -1 0 339.501 3.758 20 0 EHADRM CC/C=C(/C)C(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001595507355 981289342 /nfs/dbraw/zinc/28/93/42/981289342.db2.gz FEXBBLHDUQKKLW-QCDXTXTGSA-N -1 0 326.352 3.867 20 0 EHADRM CC[C@@H](C(=O)NCCCCC1(C(=O)[O-])CCC1)c1ccc(OC)cc1 ZINC000908337849 981302836 /nfs/dbraw/zinc/30/28/36/981302836.db2.gz CWHQUXXJVBTSQW-QGZVFWFLSA-N -1 0 347.455 3.730 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908337658 981302899 /nfs/dbraw/zinc/30/28/99/981302899.db2.gz FHYXPQOXWMZTOG-CQSZACIVSA-N -1 0 335.419 3.546 20 0 EHADRM C[C@@H](CC(=O)NCCCCC1(C(=O)[O-])CCC1)c1ccccc1F ZINC000908341656 981305475 /nfs/dbraw/zinc/30/54/75/981305475.db2.gz NWAQUWURFAVTCC-AWEZNQCLSA-N -1 0 335.419 3.861 20 0 EHADRM Cc1cc(C)cc(C2CCN(C(=O)c3ccoc3CC(=O)[O-])CC2)c1 ZINC000908354822 981307746 /nfs/dbraw/zinc/30/77/46/981307746.db2.gz JGIDCBIFYKQEEP-UHFFFAOYSA-N -1 0 341.407 3.543 20 0 EHADRM Cc1ccoc1C(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000908402402 981312325 /nfs/dbraw/zinc/31/23/25/981312325.db2.gz AAOVSMQUJOHOPN-GFCCVEGCSA-N -1 0 341.285 3.553 20 0 EHADRM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000908686265 981339767 /nfs/dbraw/zinc/33/97/67/981339767.db2.gz JGVRAIKURCNWME-QMMMGPOBSA-N -1 0 335.791 3.510 20 0 EHADRM CC[C@H](C)[C@H](C)N(C(=O)c1[nH]c2ccccc2c1CC(=O)[O-])C1CC1 ZINC000908785612 981362311 /nfs/dbraw/zinc/36/23/11/981362311.db2.gz HZJOMIOKCAQWQJ-STQMWFEESA-N -1 0 342.439 3.834 20 0 EHADRM C[C@@H](CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2)Sc1ccccc1 ZINC000908825265 981368772 /nfs/dbraw/zinc/36/87/72/981368772.db2.gz NVUKYHAGNYUIQJ-YCMKEVRSSA-N -1 0 347.480 3.709 20 0 EHADRM Cc1sc(CC(=O)Nc2cccc(C(=O)[O-])c2C)nc1C(C)C ZINC000908840832 981373989 /nfs/dbraw/zinc/37/39/89/981373989.db2.gz DJSZQTRLNZUTNF-UHFFFAOYSA-N -1 0 332.425 3.763 20 0 EHADRM CCC[C@](C)(NC(=O)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F)C(=O)[O-] ZINC001595545995 981406380 /nfs/dbraw/zinc/40/63/80/981406380.db2.gz BZIPNHJQEGPUHV-NDGTYSDOSA-N -1 0 341.810 3.732 20 0 EHADRM CCC[C@](C)(NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C)C(=O)[O-] ZINC001595546661 981413279 /nfs/dbraw/zinc/41/32/79/981413279.db2.gz RWFJYOYDUZLDKY-KUHUBIRLSA-N -1 0 335.444 3.645 20 0 EHADRM CCC[C@@](C)(NC(=O)c1cccc(NCC(C)(C)C)c1C)C(=O)[O-] ZINC001595553059 981426273 /nfs/dbraw/zinc/42/62/73/981426273.db2.gz FTQHANDQWHIKNB-LJQANCHMSA-N -1 0 334.460 3.826 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)CC[C@H]2CC(C)(C)CO2)cc1 ZINC000909287841 981460345 /nfs/dbraw/zinc/46/03/45/981460345.db2.gz DEEXEJFQJFISFZ-HNNXBMFYSA-N -1 0 333.428 3.583 20 0 EHADRM Cc1cc(F)c(CC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1F ZINC000909288646 981460414 /nfs/dbraw/zinc/46/04/14/981460414.db2.gz SXDDCPSWKDDNNH-UHFFFAOYSA-N -1 0 347.361 3.817 20 0 EHADRM Cc1ccc(NC(=O)[C@H](C)[C@H]2OCCc3sccc32)cc1C(=O)[O-] ZINC000909295127 981462862 /nfs/dbraw/zinc/46/28/62/981462862.db2.gz PNCYFVHGEIMRAK-BDJLRTHQSA-N -1 0 345.420 3.643 20 0 EHADRM CCC(CC)(CNC(=O)C[C@@H](C)c1c[nH]c2ccccc21)C(=O)[O-] ZINC000909383118 981478271 /nfs/dbraw/zinc/47/82/71/981478271.db2.gz QQESNUWJNWWXRF-CYBMUJFWSA-N -1 0 330.428 3.669 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2coc3cc(F)ccc32)C1 ZINC000909489823 981508084 /nfs/dbraw/zinc/50/80/84/981508084.db2.gz GFMCVKJIVSCFOU-NSHDSACASA-N -1 0 333.359 3.535 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2c2ccccc2)C1 ZINC000909494953 981511185 /nfs/dbraw/zinc/51/11/85/981511185.db2.gz JAQDYMCNSHHPRQ-KZNAEPCWSA-N -1 0 343.467 3.920 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1ccccc1OC1CC1 ZINC000909512219 981519839 /nfs/dbraw/zinc/51/98/39/981519839.db2.gz DBYKWSSUPYSXLE-UHFFFAOYSA-N -1 0 325.364 3.795 20 0 EHADRM CCC[C@H](CC)C(=O)N[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC001595585911 981527169 /nfs/dbraw/zinc/52/71/69/981527169.db2.gz INIGLBXZIBUZLS-GWCFXTLKSA-N -1 0 342.233 3.517 20 0 EHADRM CCCCn1cc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c(C)n1 ZINC000909524135 981529758 /nfs/dbraw/zinc/52/97/58/981529758.db2.gz RLGILLVYXKNSGH-ZDUSSCGKSA-N -1 0 343.427 3.507 20 0 EHADRM O=C([O-])C1(CNC(=O)c2c[nH]cc2-c2ccc(F)cc2)CCCCC1 ZINC000909524211 981529802 /nfs/dbraw/zinc/52/98/02/981529802.db2.gz RWRMEQCOYIMIBW-UHFFFAOYSA-N -1 0 344.386 3.586 20 0 EHADRM CCC[C@H](CC)C(=O)N[C@@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001595586212 981530546 /nfs/dbraw/zinc/53/05/46/981530546.db2.gz SBUWZZMHJZXVJR-ZVZYQTTQSA-N -1 0 331.456 3.892 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N[C@@H](CC1CCC1)c1ccccc1 ZINC000909559270 981542402 /nfs/dbraw/zinc/54/24/02/981542402.db2.gz ZURCXZRBBJURGB-INIZCTEOSA-N -1 0 327.380 3.568 20 0 EHADRM CCC[C@@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1)C(C)(C)C ZINC001595598296 981567849 /nfs/dbraw/zinc/56/78/49/981567849.db2.gz JKERCELETRCZBO-BRWVUGGUSA-N -1 0 346.471 3.711 20 0 EHADRM CCC[C@H](NC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1)C1CCC1 ZINC001595599449 981572067 /nfs/dbraw/zinc/57/20/67/981572067.db2.gz AVSJKLSBDWKNHZ-HNNXBMFYSA-N -1 0 329.400 3.956 20 0 EHADRM CCC[C@H](NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)C(C)(C)C ZINC001595600108 981577169 /nfs/dbraw/zinc/57/71/69/981577169.db2.gz KUPJVSMDDIGIPI-ZDUSSCGKSA-N -1 0 328.359 3.999 20 0 EHADRM C[C@@H](c1ccc(C(=O)NC2(CC(=O)[O-])CCCC2)cc1)C(F)(F)F ZINC000909708680 981578511 /nfs/dbraw/zinc/57/85/11/981578511.db2.gz OSJHZUJLOOIAGM-NSHDSACASA-N -1 0 343.345 3.870 20 0 EHADRM Cc1cc(F)ccc1CN(C)C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000909725193 981580730 /nfs/dbraw/zinc/58/07/30/981580730.db2.gz IXZBVPLQXXSZGN-UHFFFAOYSA-N -1 0 333.403 3.518 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000909725727 981580799 /nfs/dbraw/zinc/58/07/99/981580799.db2.gz QIMOEUNTHOLAGB-OAGGEKHMSA-N -1 0 339.391 3.695 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N(CCCc1ccccc1)c1ccccc1 ZINC001594740689 981606206 /nfs/dbraw/zinc/60/62/06/981606206.db2.gz FIVUZDRKUANQBR-SFHVURJKSA-N -1 0 325.408 3.763 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(C)C ZINC001594747081 981637367 /nfs/dbraw/zinc/63/73/67/981637367.db2.gz GISDEILPQAQMOU-WMLDXEAASA-N -1 0 325.836 3.524 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)CCSCc2ccccn2)c1 ZINC000909832738 981650695 /nfs/dbraw/zinc/65/06/95/981650695.db2.gz GDZXFJMEXJTHES-ZDUSSCGKSA-N -1 0 344.436 3.532 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)CCSCc2ccccn2)cc1 ZINC000909838242 981658954 /nfs/dbraw/zinc/65/89/54/981658954.db2.gz AKEICLCFZXUOIG-ZDUSSCGKSA-N -1 0 344.436 3.532 20 0 EHADRM CCC[C@@H]1C[C@@H](C(=O)Nc2c(C)c(C(=O)[O-])ccc2Cl)CCO1 ZINC001595619752 981680877 /nfs/dbraw/zinc/68/08/77/981680877.db2.gz NCXWZEWINCXZAV-NWDGAFQWSA-N -1 0 339.819 3.880 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC001594757770 981681364 /nfs/dbraw/zinc/68/13/64/981681364.db2.gz OFSAPHUNLIGCIQ-NKWVEPMBSA-N -1 0 338.618 3.935 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)Nc1cc(Br)c2ccccc2c1 ZINC001594758327 981684525 /nfs/dbraw/zinc/68/45/25/981684525.db2.gz YNQHIYGGCRDREX-NSHDSACASA-N -1 0 336.185 3.652 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC001594759505 981687480 /nfs/dbraw/zinc/68/74/80/981687480.db2.gz KQYWTXXFNHSZGQ-CYBMUJFWSA-N -1 0 334.759 3.577 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)Nc1ccc2[nH]c(CC3CCCCC3)nc2c1 ZINC001594759609 981688396 /nfs/dbraw/zinc/68/83/96/981688396.db2.gz PBJPRCZDPXCHQX-AWEZNQCLSA-N -1 0 343.427 3.735 20 0 EHADRM CCC[C@@H]1CCC[C@@H]1C(=O)Oc1ccc(/C=C/C(=O)[O-])cc1OC ZINC001595621613 981701575 /nfs/dbraw/zinc/70/15/75/981701575.db2.gz LSGWQPXPJUOZSH-OVNLOREASA-N -1 0 332.396 3.915 20 0 EHADRM CCC[C@@H]1CCCC[C@@H]1CNC(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001595622501 981711372 /nfs/dbraw/zinc/71/13/72/981711372.db2.gz ULTIYIHAWQRVDK-HUUCEWRRSA-N -1 0 348.443 3.878 20 0 EHADRM CCC/C=C\C(=O)N[C@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC001595624506 981732920 /nfs/dbraw/zinc/73/29/20/981732920.db2.gz XVTMDZGIWFZEDF-DSYXLKISSA-N -1 0 345.317 3.574 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@@H]3C[C@H]3c3cccc4ccccc43)(CC1)C2 ZINC000910023776 981736696 /nfs/dbraw/zinc/73/66/96/981736696.db2.gz XMOFXSSWAYLNNN-PDYGVTHMSA-N -1 0 349.430 3.847 20 0 EHADRM C[C@H](c1ccc(C(=O)N2CCCCC[C@@H]2C(=O)[O-])cc1)C(F)(F)F ZINC000910047680 981744749 /nfs/dbraw/zinc/74/47/49/981744749.db2.gz ZUUIEWRETMTTHL-BXUZGUMPSA-N -1 0 343.345 3.822 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@@H]1c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC000910154163 981767605 /nfs/dbraw/zinc/76/76/05/981767605.db2.gz WPRDDPKLNPQFEA-IACUBPJLSA-N -1 0 344.436 3.602 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21)c1ncc(C(=O)[O-])s1 ZINC000910154176 981767636 /nfs/dbraw/zinc/76/76/36/981767636.db2.gz XACXSKHWNSOTPB-QNWHQSFQSA-N -1 0 336.457 3.625 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCC[C@@H]1c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC000910154165 981767868 /nfs/dbraw/zinc/76/78/68/981767868.db2.gz WPRDDPKLNPQFEA-YUTCNCBUSA-N -1 0 344.436 3.602 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1 ZINC000910192859 981777840 /nfs/dbraw/zinc/77/78/40/981777840.db2.gz WGPILGRRPDXXSI-NSHDSACASA-N -1 0 343.345 3.555 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)C[C@H](C)c1ccccc1C ZINC001594781189 981786654 /nfs/dbraw/zinc/78/66/54/981786654.db2.gz JLZSBCRJWAENPA-MGPUTAFESA-N -1 0 331.456 3.981 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@H](C)c1ccc(Cl)cc1 ZINC001594782164 981789495 /nfs/dbraw/zinc/78/94/95/981789495.db2.gz ODVFIHLQXMBZON-XIKOKIGWSA-N -1 0 337.847 3.935 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCCc2ccccc2Cl)[C@H]2CCC[C@@H]21 ZINC000910239267 981805893 /nfs/dbraw/zinc/80/58/93/981805893.db2.gz GIBIUYVCQFZUEV-INMHGKMJSA-N -1 0 349.858 3.765 20 0 EHADRM CN(C(=O)c1ccoc1CC(=O)[O-])[C@H]1CCCC[C@H]1c1ccccc1 ZINC000910250219 981824087 /nfs/dbraw/zinc/82/40/87/981824087.db2.gz DGNPARSUKHGOBJ-RDJZCZTQSA-N -1 0 341.407 3.705 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cccc2ccc(C)nc21 ZINC001594792053 981857257 /nfs/dbraw/zinc/85/72/57/981857257.db2.gz KJSNQHGVIQVDIN-FQEVSTJZSA-N -1 0 340.423 3.649 20 0 EHADRM C[C@H](C(=O)N[C@@](C)(CC(=O)[O-])C1CC1)c1ccc2ccccc2c1 ZINC000910319645 981872697 /nfs/dbraw/zinc/87/26/97/981872697.db2.gz UUWHETDXWJCCPS-RBZFPXEDSA-N -1 0 325.408 3.703 20 0 EHADRM CCC(C)(C)NC(=O)[C@@H](C)SCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001594805309 981906697 /nfs/dbraw/zinc/90/66/97/981906697.db2.gz YKJHFJQVJGEZRJ-SNVBAGLBSA-N -1 0 343.876 3.965 20 0 EHADRM CCCC[C@H](NC(=O)c1cc2cccc(Cl)c2s1)C(=O)[O-] ZINC001595636870 981923636 /nfs/dbraw/zinc/92/36/36/981923636.db2.gz XOOBIZFJKLOYDI-NSHDSACASA-N -1 0 325.817 3.928 20 0 EHADRM CCCC[C@@H](NC(=O)c1nc(-c2ccccc2)oc1C1CC1)C(=O)[O-] ZINC001595637362 981930211 /nfs/dbraw/zinc/93/02/11/981930211.db2.gz DXZOTZFIYGUULD-CQSZACIVSA-N -1 0 342.395 3.592 20 0 EHADRM CCCC[C@H](N[C@H](C)c1nc(-c2ccc(Cl)cc2)no1)C(=O)[O-] ZINC001595637417 981931178 /nfs/dbraw/zinc/93/11/78/981931178.db2.gz GNGKEJPIDKDJAX-MFKMUULPSA-N -1 0 337.807 3.684 20 0 EHADRM CCC(C)(CC)C(=O)NCc1ccc(C(=O)[O-])cc1Br ZINC001594829515 982005155 /nfs/dbraw/zinc/00/51/55/982005155.db2.gz IOUIPXWWDSCGFQ-UHFFFAOYSA-N -1 0 342.233 3.590 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)Cc1sc(C)cc1C ZINC000910623098 982031273 /nfs/dbraw/zinc/03/12/73/982031273.db2.gz AMDHLURCFIVUIY-UHFFFAOYSA-N -1 0 333.409 3.643 20 0 EHADRM CCCC[C@@H](SCC(=O)N[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001595655023 982042626 /nfs/dbraw/zinc/04/26/26/982042626.db2.gz HDVMDFYTZGPIQF-HZPDHXFCSA-N -1 0 335.469 3.557 20 0 EHADRM Cc1c(NC(=O)CCc2ccc(C(=O)[O-])cc2)cnn1C1CCCC1 ZINC000910654778 982042933 /nfs/dbraw/zinc/04/29/33/982042933.db2.gz DXSPPZQENAILIP-UHFFFAOYSA-N -1 0 341.411 3.576 20 0 EHADRM Cn1cc(NC(=O)c2ccc(C(=O)[O-])cc2F)c(C2CCCCC2)n1 ZINC000910663368 982047596 /nfs/dbraw/zinc/04/75/96/982047596.db2.gz OTLJUCGHZZZXCT-UHFFFAOYSA-N -1 0 345.374 3.557 20 0 EHADRM Cc1sc(NC(=O)CCc2ccccc2C(=O)[O-])nc1C(C)C ZINC000910678446 982053084 /nfs/dbraw/zinc/05/30/84/982053084.db2.gz DKWIZMDRIUHKDR-UHFFFAOYSA-N -1 0 332.425 3.844 20 0 EHADRM CCCC[C@H](Sc1nnc(CCCc2ccccc2)o1)C(=O)[O-] ZINC001595657037 982058674 /nfs/dbraw/zinc/05/86/74/982058674.db2.gz HFLNZEYFCPDWEM-AWEZNQCLSA-N -1 0 334.441 3.980 20 0 EHADRM CC[C@](C)(NC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)[O-] ZINC001594841883 982058853 /nfs/dbraw/zinc/05/88/53/982058853.db2.gz IBZTUYZZCKPUFP-FQEVSTJZSA-N -1 0 349.471 3.970 20 0 EHADRM CCS[C@H](C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1)C(C)C ZINC000910699820 982069852 /nfs/dbraw/zinc/06/98/52/982069852.db2.gz RNYNTSZJLDFEPL-NSHDSACASA-N -1 0 330.475 3.681 20 0 EHADRM CCCCC1CCC(NC(=O)Nc2cccc(CC(=O)[O-])n2)CC1 ZINC001595660928 982073851 /nfs/dbraw/zinc/07/38/51/982073851.db2.gz OWUMYHJDXDPLSR-UHFFFAOYSA-N -1 0 333.432 3.579 20 0 EHADRM C/C(=C/C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1)c1ccco1 ZINC000910717602 982079842 /nfs/dbraw/zinc/07/98/42/982079842.db2.gz DMBDWCYUZNKTJJ-PRDAAYKISA-N -1 0 346.408 3.510 20 0 EHADRM CC[C@H](CC(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1)C(C)C ZINC000910735649 982097483 /nfs/dbraw/zinc/09/74/83/982097483.db2.gz ZEQKORHKOGCJGS-OLZOCXBDSA-N -1 0 338.473 3.886 20 0 EHADRM CCCCC[C@H](C)CC(=O)Nc1c(C(=O)[O-])nnn1-c1ccccc1 ZINC001595666468 982101512 /nfs/dbraw/zinc/10/15/12/982101512.db2.gz JXHOACNGHCUVSP-ZDUSSCGKSA-N -1 0 344.415 3.511 20 0 EHADRM CCCCC[C@H](NC(=O)[C@H](C)Oc1cccc2ccccc21)C(=O)[O-] ZINC001595670723 982121047 /nfs/dbraw/zinc/12/10/47/982121047.db2.gz UTSQMZBHEVCQPZ-YOEHRIQHSA-N -1 0 343.423 3.757 20 0 EHADRM CCCCC[C@H](NC(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1)C(C)(C)C ZINC001595672278 982132145 /nfs/dbraw/zinc/13/21/45/982132145.db2.gz IHUWMUDBOSQXDJ-DEYYWGMASA-N -1 0 326.481 3.734 20 0 EHADRM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NCC(C)(C)CC(=O)[O-] ZINC000910821061 982137899 /nfs/dbraw/zinc/13/78/99/982137899.db2.gz NAJCDGPLOKQSKJ-NSHDSACASA-N -1 0 345.361 3.501 20 0 EHADRM CC(C)(CNC(=O)c1sc2cc(F)ccc2c1Cl)CC(=O)[O-] ZINC000910827354 982141307 /nfs/dbraw/zinc/14/13/07/982141307.db2.gz MQBCSYADGOIYLU-UHFFFAOYSA-N -1 0 343.807 3.925 20 0 EHADRM CCCCC[C@@H](NC(=O)CCOc1cc(C)cc(C)c1C)C(=O)[O-] ZINC001595673524 982142764 /nfs/dbraw/zinc/14/27/64/982142764.db2.gz YFGBAYFBYLAPNQ-MRXNPFEDSA-N -1 0 335.444 3.530 20 0 EHADRM CCCCC[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)n1C)C(=O)[O-] ZINC001595676522 982147363 /nfs/dbraw/zinc/14/73/63/982147363.db2.gz LPKPCVUVNSGINA-OAHLLOKOSA-N -1 0 346.402 3.595 20 0 EHADRM C[C@@H]1CN(C(=O)CCCc2csc3ccccc23)C[C@H]1CC(=O)[O-] ZINC000910863359 982152433 /nfs/dbraw/zinc/15/24/33/982152433.db2.gz SDNKESWMVQRXGS-UKRRQHHQSA-N -1 0 345.464 3.793 20 0 EHADRM CC(C)(C)OCc1ccccc1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000910945362 982171012 /nfs/dbraw/zinc/17/10/12/982171012.db2.gz TXJIZDPFNJUEIZ-UONOGXRCSA-N -1 0 333.428 3.831 20 0 EHADRM CSc1ccc(NC(=O)C[C@@H](C)c2c(C)noc2C)cc1C(=O)[O-] ZINC000910946335 982171555 /nfs/dbraw/zinc/17/15/55/982171555.db2.gz LUNKSBROSBBSFQ-SECBINFHSA-N -1 0 348.424 3.844 20 0 EHADRM Cc1cc(F)ccc1[C@H](C)NC(=O)c1ccccc1CCC(=O)[O-] ZINC000910986742 982184432 /nfs/dbraw/zinc/18/44/32/982184432.db2.gz MLOOLIFCBAETBZ-ZDUSSCGKSA-N -1 0 329.371 3.642 20 0 EHADRM CCCCC[C@@H](O)C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001595690371 982195749 /nfs/dbraw/zinc/19/57/49/982195749.db2.gz JNJDKIPYXIYODC-IAGOWNOFSA-N -1 0 349.471 3.557 20 0 EHADRM CC(C)CCCCCC(=O)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC000911033155 982198601 /nfs/dbraw/zinc/19/86/01/982198601.db2.gz AOEUWPDYJAVAME-ZDUSSCGKSA-N -1 0 338.473 3.764 20 0 EHADRM CCCCCC[C@](C)(CC)C(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001595694845 982214552 /nfs/dbraw/zinc/21/45/52/982214552.db2.gz INCJBXAQJGNSFD-KUHUBIRLSA-N -1 0 349.475 3.919 20 0 EHADRM CC[C@@H](C)n1ncc(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)c1C1CC1 ZINC000911069735 982224063 /nfs/dbraw/zinc/22/40/63/982224063.db2.gz VRDGIOBJHQEFAU-GFCCVEGCSA-N -1 0 341.411 3.990 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)c1 ZINC000911083410 982230142 /nfs/dbraw/zinc/23/01/42/982230142.db2.gz TURIGPGYNJWORK-UHFFFAOYSA-N -1 0 345.439 3.975 20 0 EHADRM CCCCCC[C@@H](C)CC(=O)N[C@@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC001595696966 982235968 /nfs/dbraw/zinc/23/59/68/982235968.db2.gz GPLXVUWFSDCNID-AUUYWEPGSA-N -1 0 347.455 3.860 20 0 EHADRM CC[C@H](C)[C@@H](C)N(C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1)C1CC1 ZINC001594882524 982248707 /nfs/dbraw/zinc/24/87/07/982248707.db2.gz YAMCIJSMFGBUCS-HBNTYKKESA-N -1 0 339.461 3.511 20 0 EHADRM O=C([O-])c1cncc(C(=O)N(Cc2cccc(F)c2)C2CCCC2)c1 ZINC000911220853 982290684 /nfs/dbraw/zinc/29/06/84/982290684.db2.gz IUBMIYHEKVGDHU-UHFFFAOYSA-N -1 0 342.370 3.504 20 0 EHADRM CCCCCCOCC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001595711632 982301286 /nfs/dbraw/zinc/30/12/86/982301286.db2.gz ZTKFZFKBAUNADC-UHFFFAOYSA-N -1 0 331.771 3.713 20 0 EHADRM CC[C@H](C)C(=O)N(Cc1ccoc1C(=O)[O-])[C@@H](C)c1ccccn1 ZINC000911330270 982355307 /nfs/dbraw/zinc/35/53/07/982355307.db2.gz HALICPCKCRAHAR-STQMWFEESA-N -1 0 330.384 3.509 20 0 EHADRM CCCCN([C@H](C)CC)S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001595735385 982377945 /nfs/dbraw/zinc/37/79/45/982377945.db2.gz DIFSKDDDMSTAOA-LLVKDONJSA-N -1 0 347.864 3.628 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)Nc2cccc(NC3CCCC3)c2)c1 ZINC000911367681 982384534 /nfs/dbraw/zinc/38/45/34/982384534.db2.gz FUBNQWUEQCUUSR-UHFFFAOYSA-N -1 0 338.407 3.921 20 0 EHADRM CCCCN(C)c1ccc(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)cc1 ZINC001595740249 982393944 /nfs/dbraw/zinc/39/39/44/982393944.db2.gz AXGHFXDASSWJDN-MRXNPFEDSA-N -1 0 334.460 3.542 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001594909781 982411146 /nfs/dbraw/zinc/41/11/46/982411146.db2.gz WYQBIRBNRKWSIG-MFKMUULPSA-N -1 0 346.349 3.503 20 0 EHADRM O=C([O-])c1cc(NC(=O)C2([C@@H]3CCCCO3)CCC2)cc2[nH]ccc21 ZINC000911387330 982412045 /nfs/dbraw/zinc/41/20/45/982412045.db2.gz QEPVDXVHMVTNDF-INIZCTEOSA-N -1 0 342.395 3.544 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1ccc2c(c1)oc1ccccc12)C(=O)[O-] ZINC001594912111 982420294 /nfs/dbraw/zinc/42/02/94/982420294.db2.gz GSOKXTCHHOAKMG-GTNSWQLSSA-N -1 0 325.364 3.815 20 0 EHADRM CCCCN(Cc1ccccc1Cl)C(=O)CCSCC(=O)[O-] ZINC001595749162 982420946 /nfs/dbraw/zinc/42/09/46/982420946.db2.gz LSAYUKFZCHEGQE-UHFFFAOYSA-N -1 0 343.876 3.677 20 0 EHADRM CCCCN(Cc1c(C)oc(C)c1C)C(=O)c1cc(C(=O)[O-])ccn1 ZINC001595749332 982423510 /nfs/dbraw/zinc/42/35/10/982423510.db2.gz YFUFMBFYNLQPFS-UHFFFAOYSA-N -1 0 344.411 3.741 20 0 EHADRM CCCCNc1ccccc1C(=O)Nc1nc(C)c(C(=O)[O-])s1 ZINC001595763359 982472051 /nfs/dbraw/zinc/47/20/51/982472051.db2.gz IOVDDIFEMMMENL-UHFFFAOYSA-N -1 0 333.413 3.614 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CCC[C@@H]1c1ccc(F)cc1F ZINC000911545133 982487619 /nfs/dbraw/zinc/48/76/19/982487619.db2.gz OAGSOOPKVSOVMG-CYBMUJFWSA-N -1 0 335.306 3.542 20 0 EHADRM CCCCO[C@@H]1C[C@H](NC(=O)CC2(CC(=O)[O-])CCCC2)C1(C)C ZINC001595769614 982498704 /nfs/dbraw/zinc/49/87/04/982498704.db2.gz CMVZMZUZWPCZNG-LSDHHAIUSA-N -1 0 339.476 3.512 20 0 EHADRM CN(c1ccccc1NC(=O)c1ccoc1CC(=O)[O-])C1CCCC1 ZINC000911561806 982504141 /nfs/dbraw/zinc/50/41/41/982504141.db2.gz UGBKCWSQUSWBFM-UHFFFAOYSA-N -1 0 342.395 3.538 20 0 EHADRM CC[C@@H](C)[C@H](Sc1n[nH]c(-c2ccc3c(c2)CCC3)n1)C(=O)[O-] ZINC001594927934 982529411 /nfs/dbraw/zinc/52/94/11/982529411.db2.gz AAVBODSZZJAJRY-YGRLFVJLSA-N -1 0 331.441 3.552 20 0 EHADRM CCCCOc1ccccc1NC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001595781234 982561586 /nfs/dbraw/zinc/56/15/86/982561586.db2.gz VKOCAZLFAHCMRC-OAHLLOKOSA-N -1 0 348.443 3.974 20 0 EHADRM CCCCSc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1C(F)(F)F ZINC001595792832 982594257 /nfs/dbraw/zinc/59/42/57/982594257.db2.gz ZOLYIXPTYAGWDY-VIFPVBQESA-N -1 0 349.374 3.801 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N2CC3(CCC3)c3c2cccc3F)c1 ZINC000911695584 982603273 /nfs/dbraw/zinc/60/32/73/982603273.db2.gz GVRYIRJUDCLBPZ-UHFFFAOYSA-N -1 0 339.366 3.535 20 0 EHADRM CC[C@H](CC(=O)N[C@@H](C[C@@H](C)CC)C(=O)[O-])c1ccc(OC)cc1 ZINC001594937922 982603428 /nfs/dbraw/zinc/60/34/28/982603428.db2.gz BAEZSVWWNLNSSD-VBQJREDUSA-N -1 0 335.444 3.585 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)CCCOc1ccccc1Cl)C(=O)[O-] ZINC001594939522 982610686 /nfs/dbraw/zinc/61/06/86/982610686.db2.gz TYYJVXWHUMCFGW-TZMCWYRMSA-N -1 0 341.835 3.505 20 0 EHADRM CC(C)Oc1c(NC(=O)COC2CCC(C)CC2)cccc1C(=O)[O-] ZINC000911732690 982616756 /nfs/dbraw/zinc/61/67/56/982616756.db2.gz HKCNKMGMOVVWOU-UHFFFAOYSA-N -1 0 349.427 3.706 20 0 EHADRM CCCCn1c(=O)c2ccccc2nc1S[C@H](CC(C)C)C(=O)[O-] ZINC001595803201 982623200 /nfs/dbraw/zinc/62/32/00/982623200.db2.gz OYKMGEXFXLEYTI-OAHLLOKOSA-N -1 0 348.468 3.788 20 0 EHADRM CCCCn1cc(CNCc2cc(C(=O)[O-])ccc2Cl)c(C)n1 ZINC001595804462 982628625 /nfs/dbraw/zinc/62/86/25/982628625.db2.gz GPZNLIMCSYDQPZ-UHFFFAOYSA-N -1 0 335.835 3.633 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)c1ccccc1CCC(F)(F)F)C(=O)[O-] ZINC001594946998 982645727 /nfs/dbraw/zinc/64/57/27/982645727.db2.gz WCCRIZRIWCJEGI-FZMZJTMJSA-N -1 0 345.361 3.801 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1)C(=O)[O-] ZINC001594946992 982645943 /nfs/dbraw/zinc/64/59/43/982645943.db2.gz VYCULXGQWQFPGP-WDMOLILDSA-N -1 0 345.361 3.972 20 0 EHADRM CC[C@@H](C)CCC(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC001594951773 982661554 /nfs/dbraw/zinc/66/15/54/982661554.db2.gz BLAHKOYQBNTCGV-OAHLLOKOSA-N -1 0 331.456 3.992 20 0 EHADRM CCCN(C(=O)[C@H](C)c1ccccc1C(F)(F)F)[C@H](C)C(=O)[O-] ZINC001595814973 982662544 /nfs/dbraw/zinc/66/25/44/982662544.db2.gz WIWMXMJKUWZZAC-GHMZBOCLSA-N -1 0 331.334 3.521 20 0 EHADRM C[C@H]1CCN(C(=O)Cn2cc(C(=O)[O-])c3ccccc32)c2ccccc21 ZINC000915285619 982667076 /nfs/dbraw/zinc/66/70/76/982667076.db2.gz MKPZBMMNFHCYBS-AWEZNQCLSA-N -1 0 348.402 3.880 20 0 EHADRM CC[C@@H](C)C[C@@H](Nc1nc2cc(Br)ccc2o1)C(=O)[O-] ZINC001594952892 982675476 /nfs/dbraw/zinc/67/54/76/982675476.db2.gz OBNHYZIUTKLETI-LDYMZIIASA-N -1 0 341.205 3.892 20 0 EHADRM CCCN(C(=O)Cc1ccc(C(=O)[O-])cc1)c1ccc(CC)cc1 ZINC001595821027 982688011 /nfs/dbraw/zinc/68/80/11/982688011.db2.gz JCWRPRPSPMUAIC-UHFFFAOYSA-N -1 0 325.408 3.933 20 0 EHADRM CCCN(C(=O)N[C@@H]1CC=C(C(=O)[O-])C1)[C@H](CC)c1ccccc1 ZINC001595821293 982688880 /nfs/dbraw/zinc/68/88/80/982688880.db2.gz KDPXHTHXHNEXJU-IAGOWNOFSA-N -1 0 330.428 3.733 20 0 EHADRM CC[C@H](C)CCC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001594958865 982701645 /nfs/dbraw/zinc/70/16/45/982701645.db2.gz XZDJLDOWTMAPIU-JTQLQIEISA-N -1 0 329.343 3.794 20 0 EHADRM CC[C@H](C)CCCCC(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001594959045 982702823 /nfs/dbraw/zinc/70/28/23/982702823.db2.gz JKFASYOHXABMJM-JXFKEZNVSA-N -1 0 331.456 3.848 20 0 EHADRM CC[C@@H](C)CCNC(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001594959390 982706286 /nfs/dbraw/zinc/70/62/86/982706286.db2.gz SNUAKBYWWUKPQJ-SECBINFHSA-N -1 0 343.221 3.705 20 0 EHADRM CCCN(C(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1)[C@@H](C)C(=O)[O-] ZINC001595828091 982714478 /nfs/dbraw/zinc/71/44/78/982714478.db2.gz ZXJDXJCCJZTGAG-LBPRGKRZSA-N -1 0 330.428 3.791 20 0 EHADRM CCCN(C(=O)c1cccc(N[C@@H](C)C(C)C)c1C)[C@@H](C)C(=O)[O-] ZINC001595830288 982717031 /nfs/dbraw/zinc/71/70/31/982717031.db2.gz MMXPRAHSSJPKLJ-GJZGRUSLSA-N -1 0 334.460 3.777 20 0 EHADRM O=C([O-])c1cccc(Cc2cnc(NC(=O)[C@]34C[C@H]3CCC4)s2)c1 ZINC000923100106 982723931 /nfs/dbraw/zinc/72/39/31/982723931.db2.gz AAKBFUOXOJURNE-FZKQIMNGSA-N -1 0 342.420 3.561 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC001594968392 982734488 /nfs/dbraw/zinc/73/44/88/982734488.db2.gz MWGPVBARCGZMST-QWRGUYRKSA-N -1 0 346.254 3.884 20 0 EHADRM CCC(CC)(C(=O)NCCc1ccccc1C(=O)[O-])c1ccccc1 ZINC000923121397 982740725 /nfs/dbraw/zinc/74/07/25/982740725.db2.gz ZHVVEXGMASCCON-UHFFFAOYSA-N -1 0 339.435 3.802 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC001594975431 982749473 /nfs/dbraw/zinc/74/94/73/982749473.db2.gz IOVDQXWFUDAYEL-LBPRGKRZSA-N -1 0 343.448 3.839 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC001594981879 982775250 /nfs/dbraw/zinc/77/52/50/982775250.db2.gz KWEHKRCFNWRVBE-SECBINFHSA-N -1 0 330.306 3.532 20 0 EHADRM CCCN(CCc1cccs1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001595884496 982907544 /nfs/dbraw/zinc/90/75/44/982907544.db2.gz ZYSDFLOBKXLJFL-UHFFFAOYSA-N -1 0 332.425 3.933 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)NCc2cc(C)c(C(=O)[O-])o2)c1 ZINC001595008252 982928035 /nfs/dbraw/zinc/92/80/35/982928035.db2.gz MLIDWEACKHYQJV-LBPRGKRZSA-N -1 0 346.383 3.785 20 0 EHADRM COc1ccc(C[C@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2C)cc1 ZINC001116491205 982930837 /nfs/dbraw/zinc/93/08/37/982930837.db2.gz IAGUZRUXMWTMDB-ZDUSSCGKSA-N -1 0 327.380 3.519 20 0 EHADRM COc1ccc2cc(C(=O)N3C[C@H](C(=O)[O-])c4ccccc43)ccc2c1 ZINC001116906831 982936960 /nfs/dbraw/zinc/93/69/60/982936960.db2.gz WGQWLGFOOULIMY-SFHVURJKSA-N -1 0 347.370 3.677 20 0 EHADRM C[S@@](=O)(=NC(=O)c1cc2c(cc1[O-])CCCC2)c1ccccc1 ZINC000925957703 1014907075 /nfs/dbraw/zinc/90/70/75/1014907075.db2.gz XRYULCRAKXZNPW-QHCPKHFHSA-N -1 0 329.421 3.568 20 0 EHADRM CCCNc1ccc(Cl)cc1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001595936775 983079144 /nfs/dbraw/zinc/07/91/44/983079144.db2.gz ORMDJHYHXNPJFY-RYUDHWBXSA-N -1 0 338.835 3.991 20 0 EHADRM CCCOc1ccc(NC(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])cc1Cl ZINC001595961236 983158049 /nfs/dbraw/zinc/15/80/49/983158049.db2.gz WWNBUGHALXCZGJ-DGCLKSJQSA-N -1 0 340.807 3.504 20 0 EHADRM CCCOc1ccc(COC(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC001595961326 983158767 /nfs/dbraw/zinc/15/87/67/983158767.db2.gz XPHPRLCTNWCYQR-UHFFFAOYSA-N -1 0 328.364 3.839 20 0 EHADRM CCC[C@H](NC(=O)C(C)(C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001596011468 983273430 /nfs/dbraw/zinc/27/34/30/983273430.db2.gz VLXWTMVQGJCRID-LBPRGKRZSA-N -1 0 332.227 3.641 20 0 EHADRM CCCc1c(C(=O)NC[C@@H]2CCC[C@H]2C2CC2)[nH]c(C)c1C(=O)[O-] ZINC001596037073 983317571 /nfs/dbraw/zinc/31/75/71/983317571.db2.gz ANXVMSJQTFWWPK-KBPBESRZSA-N -1 0 332.444 3.530 20 0 EHADRM CCCc1nc(C)c(NC(=O)CCc2ccccc2C(=O)[O-])s1 ZINC001596082902 983403292 /nfs/dbraw/zinc/40/32/92/983403292.db2.gz CUWDILACFUBAQW-UHFFFAOYSA-N -1 0 332.425 3.674 20 0 EHADRM CCCc1sc(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)cc1CC ZINC001596105471 983429301 /nfs/dbraw/zinc/42/93/01/983429301.db2.gz BTFCCWZXCXTCJV-UGSOOPFHSA-N -1 0 335.469 3.590 20 0 EHADRM CCCn1ncc(C(=O)OCc2cc(C(=O)[O-])sc2C)c1C1CC1 ZINC001596120460 983454562 /nfs/dbraw/zinc/45/45/62/983454562.db2.gz MQULSZTTYBJGKW-UHFFFAOYSA-N -1 0 348.424 3.596 20 0 EHADRM CCN(C(=O)CCC(C)(C)c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001596133095 983481341 /nfs/dbraw/zinc/48/13/41/983481341.db2.gz FAVSTFCRPOZMJI-UHFFFAOYSA-N -1 0 346.452 3.952 20 0 EHADRM CCN(C(=O)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F)C(C)(C)C(=O)[O-] ZINC001596136693 983484356 /nfs/dbraw/zinc/48/43/56/983484356.db2.gz DLMFFGVLMIFYBE-WCQYABFASA-N -1 0 341.810 3.684 20 0 EHADRM CCN(C(=O)Cc1cccc(C)c1Cl)c1ccccc1C(=O)[O-] ZINC001596143021 983495745 /nfs/dbraw/zinc/49/57/45/983495745.db2.gz GMDNPPQOTPYUPI-UHFFFAOYSA-N -1 0 331.799 3.942 20 0 EHADRM CCN(C(=O)c1ccc(C(=O)[O-])[nH]1)C(c1ccccc1)c1ccccc1 ZINC001596165611 983530535 /nfs/dbraw/zinc/53/05/35/983530535.db2.gz VYYBVCVNDCOVCX-UHFFFAOYSA-N -1 0 348.402 3.965 20 0 EHADRM CCN(CC(=O)Nc1cc(C(=O)[O-])ccc1C)c1ccc(F)c(C)c1 ZINC001596208303 983597549 /nfs/dbraw/zinc/59/75/49/983597549.db2.gz OIZMBERTMBZGOB-UHFFFAOYSA-N -1 0 344.386 3.606 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)[C@@H]1CCC(C)(C)C[C@H]1c1ccccc1 ZINC001596305616 983732749 /nfs/dbraw/zinc/73/27/49/983732749.db2.gz JOPDIHQDHYCLFK-SJORKVTESA-N -1 0 331.456 3.920 20 0 EHADRM CCN(CCOc1ccccc1C)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001596345492 983793874 /nfs/dbraw/zinc/79/38/74/983793874.db2.gz LRZISVXXNZAJME-UHFFFAOYSA-N -1 0 342.395 3.626 20 0 EHADRM CCN(CCc1ccccc1)C(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001596347194 983797183 /nfs/dbraw/zinc/79/71/83/983797183.db2.gz GPHPGUJLFVMPSY-UHFFFAOYSA-N -1 0 326.396 3.790 20 0 EHADRM CCN(Cc1cc(C(=O)[O-])no1)Cc1ccc(Cl)c(Cl)c1 ZINC001596359594 983834622 /nfs/dbraw/zinc/83/46/22/983834622.db2.gz KVGMWPDWIUAGDJ-UHFFFAOYSA-N -1 0 329.183 3.702 20 0 EHADRM COc1ccc(Cc2noc(-c3ccc(Cl)cc3[O-])n2)cc1OC ZINC000109037478 1014986018 /nfs/dbraw/zinc/98/60/18/1014986018.db2.gz JBJIGDVMHTWAJK-UHFFFAOYSA-N -1 0 346.770 3.704 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C[C@H]2OCc3ccccc32)c1 ZINC000655098376 1014993994 /nfs/dbraw/zinc/99/39/94/1014993994.db2.gz QZOGLLGJYPWSSH-GOSISDBHSA-N -1 0 325.364 3.585 20 0 EHADRM C[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1ccc(Br)cc1 ZINC000175748559 1015019380 /nfs/dbraw/zinc/01/93/80/1015019380.db2.gz RDWZCQQQFNVTTF-ZCFIWIBFSA-N -1 0 328.103 3.527 20 0 EHADRM CCOC(=O)[C@]12CCC[C@@H]1C[C@H](Nc1ccc(CCC(=O)[O-])cc1)C2 ZINC001596562949 984441630 /nfs/dbraw/zinc/44/16/30/984441630.db2.gz FYSIJIIVAUWMBH-SYNHAJSKSA-N -1 0 345.439 3.628 20 0 EHADRM C=Cc1ccccc1NC(=O)N[C@@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001588922165 984581638 /nfs/dbraw/zinc/58/16/38/984581638.db2.gz UVFWOLQHARXHPP-YOEHRIQHSA-N -1 0 338.407 3.783 20 0 EHADRM C=Cn1cc(CNc2cc(C(=O)[O-])ccc2OCc2ccccc2)cn1 ZINC001588925929 984589961 /nfs/dbraw/zinc/58/99/61/984589961.db2.gz AUJJRTXXDWBDSH-UHFFFAOYSA-N -1 0 349.390 3.873 20 0 EHADRM C/C(=C/C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1)c1ccccc1 ZINC001588943950 984642850 /nfs/dbraw/zinc/64/28/50/984642850.db2.gz KAPLIUTWAZEKGK-UKVQZPPCSA-N -1 0 343.354 3.720 20 0 EHADRM C/C(=C\C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)c1cccs1 ZINC001588944572 984649182 /nfs/dbraw/zinc/64/91/82/984649182.db2.gz ZKMLPNWTPDPSDY-XXQUSICCSA-N -1 0 327.405 3.978 20 0 EHADRM CCOC(=O)Nc1ccc(NCc2[nH]cc(C(=O)[O-])c2C2CC2)cc1 ZINC001596666546 984730698 /nfs/dbraw/zinc/73/06/98/984730698.db2.gz IIMDLWQWLOKFBM-UHFFFAOYSA-N -1 0 343.383 3.771 20 0 EHADRM C[C@H](NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1)c1ccc2c(c1)CCCC2 ZINC001599894432 984735516 /nfs/dbraw/zinc/73/55/16/984735516.db2.gz UDMDZTLONAVWFQ-IYOUNJFTSA-N -1 0 344.455 3.569 20 0 EHADRM C[C@H](Nc1ncc(C(=O)[O-])cn1)c1cc(Cl)ccc1OC(F)F ZINC001599902411 984863463 /nfs/dbraw/zinc/86/34/63/984863463.db2.gz CHDMZDHRVWRAGG-ZETCQYMHSA-N -1 0 343.717 3.603 20 0 EHADRM C[C@H](OC(=O)CC(C)(C)CC(=O)[O-])c1cccc(Br)c1 ZINC001599903731 984893750 /nfs/dbraw/zinc/89/37/50/984893750.db2.gz DYZYXAOSCSIKKT-JTQLQIEISA-N -1 0 343.217 3.944 20 0 EHADRM C[C@H](OC(=O)c1ccc(P(C)(C)=O)cc1)c1ccc(C(=O)[O-])cc1 ZINC001599904385 984903785 /nfs/dbraw/zinc/90/37/85/984903785.db2.gz UYVPOILYKOCFSA-LBPRGKRZSA-N -1 0 346.319 3.551 20 0 EHADRM C[C@H](OC(=O)c1csc([C@H]2CCCO2)n1)c1ccc(C(=O)[O-])cc1 ZINC001599906414 984928740 /nfs/dbraw/zinc/92/87/40/984928740.db2.gz AFSJONMZSSZWHD-IINYFYTJSA-N -1 0 347.392 3.611 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)Nc1c(C)ccc(C(=O)[O-])c1O ZINC001588999519 984939132 /nfs/dbraw/zinc/93/91/32/984939132.db2.gz WNQOLFGJPWCAFC-RAXLEYEMSA-N -1 0 325.364 3.749 20 0 EHADRM C[C@H]1CC[C@@](C)(C(=O)N2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)C1(C)C ZINC001599908368 984951832 /nfs/dbraw/zinc/95/18/32/984951832.db2.gz WLWXRSDGMQGZTO-OVZMXSCWSA-N -1 0 349.393 3.560 20 0 EHADRM C/C(=C/c1nc(COc2cccc(C(=O)[O-])c2)no1)c1ccco1 ZINC001589010974 984985745 /nfs/dbraw/zinc/98/57/45/984985745.db2.gz NFVYRQOQMPGRCE-FLIBITNWSA-N -1 0 326.308 3.500 20 0 EHADRM C/C(=C/c1ccncc1)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001589011268 984989224 /nfs/dbraw/zinc/98/92/24/984989224.db2.gz UNBWSDSYQXTXTG-TWGQIWQCSA-N -1 0 334.734 3.614 20 0 EHADRM CCOC(=O)c1cccc(S[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC001596731129 984999944 /nfs/dbraw/zinc/99/99/44/984999944.db2.gz XKQJLVGSGMMGGN-OAHLLOKOSA-N -1 0 334.368 3.920 20 0 EHADRM CC(=O)[C@H](C)CCCCC(=O)Nc1nc(C(C)C)c(C(=O)[O-])s1 ZINC001589022901 985019797 /nfs/dbraw/zinc/01/97/97/985019797.db2.gz HFEXHDSTRMUFBJ-SNVBAGLBSA-N -1 0 340.445 3.689 20 0 EHADRM CC(=O)[C@@H](C)CCCCC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001589023546 985025420 /nfs/dbraw/zinc/02/54/20/985025420.db2.gz RNBHRMVTUHWHHE-VIFPVBQESA-N -1 0 343.782 3.901 20 0 EHADRM CCO[C@H](C(=O)Nc1ccc(CC)cc1C(=O)[O-])c1ccccc1 ZINC001596766675 985173941 /nfs/dbraw/zinc/17/39/41/985173941.db2.gz DRZGASIEEQBPAS-KRWDZBQOSA-N -1 0 327.380 3.664 20 0 EHADRM CCO[C@H](C)c1nc(COc2cc(C(=O)[O-])cc(F)c2C)cs1 ZINC001596776844 985217536 /nfs/dbraw/zinc/21/75/36/985217536.db2.gz PVWOAXPYFRRDNQ-SNVBAGLBSA-N -1 0 339.388 3.965 20 0 EHADRM CCO[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1)C(C)C ZINC001596782122 985237316 /nfs/dbraw/zinc/23/73/16/985237316.db2.gz KHIQWWBNPJBMPB-PKOBYXMFSA-N -1 0 343.423 3.533 20 0 EHADRM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(C)c(C(=O)[O-])c2)C1(CC)CC ZINC001596810656 985352723 /nfs/dbraw/zinc/35/27/23/985352723.db2.gz HBZASNLZXBWNDG-DLBZAZTESA-N -1 0 347.455 3.749 20 0 EHADRM CCO[C@H]1C[C@H](NC(=O)Nc2cc(C)cc(C(=O)[O-])c2)C12CCCC2 ZINC001596823554 985425220 /nfs/dbraw/zinc/42/52/20/985425220.db2.gz QTSWZKSTXWNXHF-HOTGVXAUSA-N -1 0 346.427 3.553 20 0 EHADRM CCO[C@H]1C[C@@H](NC(=O)Nc2cc(C)cc(C(=O)[O-])c2)C12CCCC2 ZINC001596823552 985425432 /nfs/dbraw/zinc/42/54/32/985425432.db2.gz QTSWZKSTXWNXHF-CVEARBPZSA-N -1 0 346.427 3.553 20 0 EHADRM C[C@]1(C(=O)OCc2c(F)cc(C(=O)[O-])cc2F)C[C@@H]1c1ccccc1 ZINC001599938638 985427715 /nfs/dbraw/zinc/42/77/15/985427715.db2.gz MVTJRTDGBVLGJS-KUHUBIRLSA-N -1 0 346.329 3.900 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)OC(=O)C[C@H]2CCC[C@@H](C)C2)c(C)c1C(=O)[O-] ZINC001599942644 985474263 /nfs/dbraw/zinc/47/42/63/985474263.db2.gz ALOFVGMHUUEPGG-SWHYSGLUSA-N -1 0 349.427 3.661 20 0 EHADRM C[C@H]1[C@@H](C)N(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)C[C@H]1C ZINC001594478130 985502899 /nfs/dbraw/zinc/50/28/99/985502899.db2.gz MCAFVLVIBMWFRJ-IWSPIJDZSA-N -1 0 328.771 3.686 20 0 EHADRM CCO[C@H]1C[C@H](OC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C12CCCCC2 ZINC001596845426 985542082 /nfs/dbraw/zinc/54/20/82/985542082.db2.gz GIJKGOSKJABPQY-VGWMRTNUSA-N -1 0 338.444 3.549 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])ccc2Cl)[C@H]1c1ccccc1 ZINC001594490116 985599018 /nfs/dbraw/zinc/59/90/18/985599018.db2.gz VKGBXHOTZVFKMM-BDJLRTHQSA-N -1 0 329.783 3.871 20 0 EHADRM Cc1[nH]c(C(=O)N2CCC[C@@H]2/C=C\c2ccccc2)c(C)c1C(=O)[O-] ZINC001599950464 985600132 /nfs/dbraw/zinc/60/01/32/985600132.db2.gz LFVIAFUIMSHLRO-BLIJAFNYSA-N -1 0 338.407 3.648 20 0 EHADRM Cc1[nH]c(C(=O)NC[C@@H]2CCC[C@H]2c2ccccc2)c(C)c1C(=O)[O-] ZINC001599953224 985645615 /nfs/dbraw/zinc/64/56/15/985645615.db2.gz QBKVTDMGWUOOBK-HOTGVXAUSA-N -1 0 340.423 3.643 20 0 EHADRM Cc1[nH]c(CN(C)[C@@H](C)c2nc3ccccc3s2)cc1C(=O)[O-] ZINC001599960994 985779886 /nfs/dbraw/zinc/77/98/86/985779886.db2.gz BBTBSBGLLUWIMI-NSHDSACASA-N -1 0 329.425 3.824 20 0 EHADRM CCOCC(C)(C)NC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001596886689 985794193 /nfs/dbraw/zinc/79/41/93/985794193.db2.gz MGHXFMRTVAKLIZ-UHFFFAOYSA-N -1 0 336.413 3.536 20 0 EHADRM CC(=O)c1cc(C(=O)N2CCCc3c(C)ccc(C(=O)[O-])c32)cs1 ZINC001589254852 985886295 /nfs/dbraw/zinc/88/62/95/985886295.db2.gz CFKNEHGRMHELOR-UHFFFAOYSA-N -1 0 343.404 3.550 20 0 EHADRM CC(=O)c1c(C)cc(C)c(CNC(C)(C)c2nocc2C(=O)[O-])c1C ZINC001589255359 985892409 /nfs/dbraw/zinc/89/24/09/985892409.db2.gz SIVFPRIIYXRLSR-UHFFFAOYSA-N -1 0 344.411 3.526 20 0 EHADRM CCOCCCCCC(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC001596907754 985895081 /nfs/dbraw/zinc/89/50/81/985895081.db2.gz ZWRKFVLJFWIOMH-UHFFFAOYSA-N -1 0 342.461 3.674 20 0 EHADRM CC(=O)c1cc(C(=O)Nc2c(Cl)ccc(F)c2C(=O)[O-])cs1 ZINC001589257259 985901806 /nfs/dbraw/zinc/90/18/06/985901806.db2.gz CEXSWVPVZZJCSU-UHFFFAOYSA-N -1 0 341.747 3.694 20 0 EHADRM Cc1[nH]c2ccccc2c1-c1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC001599966785 985922026 /nfs/dbraw/zinc/92/20/26/985922026.db2.gz ZXKBWFROCJBNGT-UHFFFAOYSA-N -1 0 349.346 3.804 20 0 EHADRM Cc1[nH]c2ccccc2c1Cc1noc([C@@H]2CCC[C@H](C(=O)[O-])C2)n1 ZINC001599967224 985927955 /nfs/dbraw/zinc/92/79/55/985927955.db2.gz YOTLFFHIWGHTHR-OLZOCXBDSA-N -1 0 339.395 3.809 20 0 EHADRM Cc1c(=O)[nH]c(S[C@H](CC(C)C)C(=O)[O-])nc1-c1ccccc1 ZINC001599969675 985982513 /nfs/dbraw/zinc/98/25/13/985982513.db2.gz PONMPKNMHJDDEW-CYBMUJFWSA-N -1 0 332.425 3.749 20 0 EHADRM CC(=O)c1ccc(N(C)CCOc2ccc(C=CC(=O)[O-])cc2)cc1 ZINC001589284335 986021492 /nfs/dbraw/zinc/02/14/92/986021492.db2.gz YIVDVBKDESGXPH-LFYBBSHMSA-N -1 0 339.391 3.502 20 0 EHADRM CC(=O)c1ccc2ccccc2c1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001589306591 986074835 /nfs/dbraw/zinc/07/48/35/986074835.db2.gz XWMSJPRILWGBAI-GJZGRUSLSA-N -1 0 339.391 3.872 20 0 EHADRM CCOCOc1ccc(CNc2ccc(C(=O)[O-])cc2OCC)cc1 ZINC001596944992 986079138 /nfs/dbraw/zinc/07/91/38/986079138.db2.gz BHDIICBZCCZKCR-UHFFFAOYSA-N -1 0 345.395 3.768 20 0 EHADRM CCON(C(=O)c1ccccc1-c1ccccc1C(=O)[O-])C(C)C ZINC001596957654 986142565 /nfs/dbraw/zinc/14/25/65/986142565.db2.gz AJILNIDXBYGVML-UHFFFAOYSA-N -1 0 327.380 3.854 20 0 EHADRM CCON(Cc1ccccc1)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC001596969210 986190022 /nfs/dbraw/zinc/19/00/22/986190022.db2.gz WVEWCFRRJYKDCX-AWEZNQCLSA-N -1 0 342.395 3.860 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CC(C)(C)[C@H]2CCC[C@H]21 ZINC001597014594 986361840 /nfs/dbraw/zinc/36/18/40/986361840.db2.gz HMEKHRCSRGFWKD-DZGCQCFKSA-N -1 0 346.427 3.826 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N(C)CC1CCCCC1 ZINC001597014805 986363159 /nfs/dbraw/zinc/36/31/59/986363159.db2.gz KAJWEORDOVLLHM-UHFFFAOYSA-N -1 0 334.416 3.828 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)C[C@@H]1CCCC1(F)F ZINC001597015450 986366937 /nfs/dbraw/zinc/36/69/37/986366937.db2.gz BLKHDYCIVCJSEU-NSHDSACASA-N -1 0 327.327 3.548 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)Cc1cccc(C)c1Cl ZINC001597015781 986371484 /nfs/dbraw/zinc/37/14/84/986371484.db2.gz GGNWCIOXZBEPIM-UHFFFAOYSA-N -1 0 347.798 3.927 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)/C=C\C=C(Cl)Cl ZINC001597016377 986380081 /nfs/dbraw/zinc/38/00/81/986380081.db2.gz YUOZRJOSGKTZKV-HYXAFXHYSA-N -1 0 330.167 3.597 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NCCCc1cccs1 ZINC001597020013 986397613 /nfs/dbraw/zinc/39/76/13/986397613.db2.gz FACCJKWVOWAMOF-UHFFFAOYSA-N -1 0 348.424 3.599 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NCCCC1CCCC1 ZINC001597021241 986410042 /nfs/dbraw/zinc/41/00/42/986410042.db2.gz JGINGODTVLTXND-UHFFFAOYSA-N -1 0 334.416 3.875 20 0 EHADRM O=C(N=c1ccccn1Cc1ccccc1)c1ccc([O-])c(Cl)c1 ZINC000254950548 1015219593 /nfs/dbraw/zinc/21/95/93/1015219593.db2.gz MMYYMAAOLNZYLE-UHFFFAOYSA-N -1 0 338.794 3.637 20 0 EHADRM CC(C(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1)=C1CCC1 ZINC001589378517 986445133 /nfs/dbraw/zinc/44/51/33/986445133.db2.gz LZMPSPAJTNBNFD-INIZCTEOSA-N -1 0 342.222 3.910 20 0 EHADRM CCOc1cc(Cl)ccc1CNc1nc(C(=O)[O-])c(C)s1 ZINC001597036723 986480110 /nfs/dbraw/zinc/48/01/10/986480110.db2.gz MTBGBDXUNVYNPU-UHFFFAOYSA-N -1 0 326.805 3.814 20 0 EHADRM CCOc1cc(CNc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)ccc1O ZINC001597038252 986484030 /nfs/dbraw/zinc/48/40/30/986484030.db2.gz HMFGGIOCYXRFRT-JKSUJKDBSA-N -1 0 327.380 3.591 20 0 EHADRM CCOc1cc(NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)ccc1C ZINC001597042498 986494086 /nfs/dbraw/zinc/49/40/86/986494086.db2.gz UCYREOGNGJHMSR-UHFFFAOYSA-N -1 0 342.395 3.756 20 0 EHADRM C[C@H](C(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1)C1CCCC1 ZINC001589409876 986607222 /nfs/dbraw/zinc/60/72/22/986607222.db2.gz LRQLXAIECBRZAC-LBPRGKRZSA-N -1 0 329.396 3.616 20 0 EHADRM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1F)c1cccc(Cl)c1 ZINC001589414390 986631457 /nfs/dbraw/zinc/63/14/57/986631457.db2.gz HMFXLHKSYSMSNY-SNVBAGLBSA-N -1 0 335.762 3.597 20 0 EHADRM CCOc1ccc(C[C@H](C)C(=O)Nc2scc(C(=O)[O-])c2C)cc1 ZINC001597085256 986649912 /nfs/dbraw/zinc/64/99/12/986649912.db2.gz RNCZTPCNFQODDQ-NSHDSACASA-N -1 0 347.436 3.971 20 0 EHADRM C[C@H]([C@H](C)C(=O)NCc1ccc(OCCCC(=O)[O-])cc1)C(C)(C)C ZINC001589416210 986652417 /nfs/dbraw/zinc/65/24/17/986652417.db2.gz SWQAKIMWKDAJKT-LSDHHAIUSA-N -1 0 349.471 3.865 20 0 EHADRM C[C@@H](C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1)c1ccccc1C(F)(F)F ZINC001589421958 986660496 /nfs/dbraw/zinc/66/04/96/986660496.db2.gz CXCLIBMSOJZMIA-UTUOFQBUSA-N -1 0 343.345 3.569 20 0 EHADRM C[C@@H](C(=O)Nc1cc(CCC(=O)[O-])ccc1O)c1cccc(Cl)c1 ZINC001589428122 986697508 /nfs/dbraw/zinc/69/75/08/986697508.db2.gz BLXYLGOXZPGKIW-LLVKDONJSA-N -1 0 347.798 3.805 20 0 EHADRM C[C@@H](C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)c1ccc(F)c(F)c1 ZINC001589428812 986705095 /nfs/dbraw/zinc/70/50/95/986705095.db2.gz JXPDXSJXDFLKHM-SECBINFHSA-N -1 0 344.317 3.887 20 0 EHADRM CCOc1ccc(CN[C@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])o1 ZINC001597100724 986708438 /nfs/dbraw/zinc/70/84/38/986708438.db2.gz FHEICGQNSVXCLM-CRAIPNDOSA-N -1 0 343.423 3.731 20 0 EHADRM C[C@@H](C(=O)Nc1cc(F)cc(C(=O)[O-])c1F)c1ccc(F)c(F)c1 ZINC001589429749 986711271 /nfs/dbraw/zinc/71/12/71/986711271.db2.gz PJHCYYOHZKKUMH-SSDOTTSWSA-N -1 0 341.260 3.683 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(Br)cc1C(=O)[O-])C1CCCC1 ZINC001589431902 986734805 /nfs/dbraw/zinc/73/48/05/986734805.db2.gz RTPHGTWCZIIAQA-SECBINFHSA-N -1 0 340.217 3.912 20 0 EHADRM CCOc1ccc(N(CC)C(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC001597106787 986750453 /nfs/dbraw/zinc/75/04/53/986750453.db2.gz VIZQYSBLQXVPNE-UHFFFAOYSA-N -1 0 327.380 3.759 20 0 EHADRM CCOc1ccc(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)c(C(=O)[O-])c1F ZINC001597113440 986787299 /nfs/dbraw/zinc/78/72/99/986787299.db2.gz UDSLUTMEHQZJLQ-CNDDSTCGSA-N -1 0 335.375 3.687 20 0 EHADRM CCOc1ccc(NC(=O)CSCc2ccccc2C(=O)[O-])cc1 ZINC001597117855 986794060 /nfs/dbraw/zinc/79/40/60/986794060.db2.gz OFUBRBLFQMXXGT-UHFFFAOYSA-N -1 0 345.420 3.655 20 0 EHADRM CCOc1ccc(NC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)cc1Cl ZINC001597120405 986810886 /nfs/dbraw/zinc/81/08/86/986810886.db2.gz OPHLXKMKRVGXOE-UHFFFAOYSA-N -1 0 336.775 3.634 20 0 EHADRM C[C@H]([C@H](C)C(=O)Nc1nc(CCCC(=O)[O-])cs1)C(C)(C)C ZINC001589448459 986823483 /nfs/dbraw/zinc/82/34/83/986823483.db2.gz KVHFBIASMUZPOW-WDEREUQCSA-N -1 0 326.462 3.807 20 0 EHADRM CCOc1ccc2[nH]c(SC[C@@H]3CCCC[C@H]3C(=O)[O-])nc2c1 ZINC001597145973 986909101 /nfs/dbraw/zinc/90/91/01/986909101.db2.gz QCFCXUOAOUCVJN-WCQYABFASA-N -1 0 334.441 3.945 20 0 EHADRM CCOc1cccc(/C=C/C(=O)Oc2cc(C(=O)[O-])cc(F)c2C)c1 ZINC001597150219 986925354 /nfs/dbraw/zinc/92/53/54/986925354.db2.gz RLFMGDFUSNIXGG-BQYQJAHWSA-N -1 0 344.338 3.850 20 0 EHADRM C[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001594671109 986981924 /nfs/dbraw/zinc/98/19/24/986981924.db2.gz JEVRYCOQZFSTOK-SNVBAGLBSA-N -1 0 348.399 3.666 20 0 EHADRM CCOc1ccccc1[C@H](CC(C)C)NC(=O)c1ccc(C(=O)[O-])o1 ZINC001597173119 987012546 /nfs/dbraw/zinc/01/25/46/987012546.db2.gz NNZXHIYJUQKKPO-AWEZNQCLSA-N -1 0 345.395 3.894 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1csc(-c2ccccc2F)n1)C1CCC1 ZINC001589487240 987046415 /nfs/dbraw/zinc/04/64/15/987046415.db2.gz VVHGVQDYFOTYRQ-LLVKDONJSA-N -1 0 334.416 3.777 20 0 EHADRM C/C=C/COc1cccc(CC(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC001594689723 987078491 /nfs/dbraw/zinc/07/84/91/987078491.db2.gz VYJALKRFLVKGLO-NSCUHMNNSA-N -1 0 331.393 3.582 20 0 EHADRM C/C=C/COc1cccc(CC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001594689803 987079284 /nfs/dbraw/zinc/07/92/84/987079284.db2.gz YFUJIISEBNKUDP-ONEGZZNKSA-N -1 0 339.391 3.829 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)C2)cc1 ZINC001589501904 987101966 /nfs/dbraw/zinc/10/19/66/987101966.db2.gz ANHNWCMWYXBTAU-MVWJERBFSA-N -1 0 329.318 3.792 20 0 EHADRM CC/C(=C/C(=O)Nc1nc(C)c(C(=O)[O-])s1)c1ccc(OC)cc1 ZINC001594694409 987107514 /nfs/dbraw/zinc/10/75/14/987107514.db2.gz WBINTSIAHHSKGG-LUAWRHEFSA-N -1 0 346.408 3.590 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2CC(Cc3ccccc3)C2)cc1 ZINC001589507760 987125108 /nfs/dbraw/zinc/12/51/08/987125108.db2.gz CEWBUZOTCIUTCU-AWEZNQCLSA-N -1 0 338.407 3.581 20 0 EHADRM CC(C)[C@H]1N(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)CC12CCC2 ZINC001589508669 987129802 /nfs/dbraw/zinc/12/98/02/987129802.db2.gz LJJLOLMCWDTGDQ-CZUORRHYSA-N -1 0 330.428 3.917 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N[C@@H]2CCCc3occc32)cc1 ZINC001589513435 987158634 /nfs/dbraw/zinc/15/86/34/987158634.db2.gz TUXKGTXWAYBCPU-IAQYHMDHSA-N -1 0 328.368 3.667 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NCC2(c3ccccc3)CC2)cc1 ZINC001589513785 987160524 /nfs/dbraw/zinc/16/05/24/987160524.db2.gz XUUZDVAFIWXEKN-AWEZNQCLSA-N -1 0 338.407 3.728 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2csc(C(F)(F)F)n2)cc1 ZINC001589521863 987170690 /nfs/dbraw/zinc/17/06/90/987170690.db2.gz VHXOITQSFKCXNM-ZETCQYMHSA-N -1 0 344.314 3.602 20 0 EHADRM CCC(=O)c1ccc(C(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)cc1 ZINC001594716700 987189446 /nfs/dbraw/zinc/18/94/46/987189446.db2.gz ALTOWHMCPRDCPY-UHFFFAOYSA-N -1 0 340.375 3.861 20 0 EHADRM CCC(=O)c1cc(C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)ccc1F ZINC001594718333 987198302 /nfs/dbraw/zinc/19/83/02/987198302.db2.gz RQEJXCDGVHOSOD-INIZCTEOSA-N -1 0 348.301 3.540 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)Nc2ncsc2C2CC2)c1 ZINC001589532113 987210661 /nfs/dbraw/zinc/21/06/61/987210661.db2.gz MNXQJGPRDOETIB-VIFPVBQESA-N -1 0 331.397 3.853 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cc(-c3cccs3)on2)c1 ZINC001589532186 987211584 /nfs/dbraw/zinc/21/15/84/987211584.db2.gz NUKXOLLJIMNOJF-JTQLQIEISA-N -1 0 342.376 3.844 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2nsc3ccccc32)c1 ZINC001589532674 987217541 /nfs/dbraw/zinc/21/75/41/987217541.db2.gz SXFNHGGGTPVCBA-SNVBAGLBSA-N -1 0 326.377 3.737 20 0 EHADRM C[C@H](Nc1cccc([C@H](C)C(=O)[O-])c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001589532998 987220967 /nfs/dbraw/zinc/22/09/67/987220967.db2.gz XTCYLAZEAQULOQ-STQMWFEESA-N -1 0 348.443 3.542 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)Cc2c[nH]c3ccc(F)cc23)c1 ZINC001589533346 987225233 /nfs/dbraw/zinc/22/52/33/987225233.db2.gz MKKBVXPXUGUPES-LLVKDONJSA-N -1 0 340.354 3.676 20 0 EHADRM CC[C@@H](C(=O)N(C)c1ccc(OCC(=O)[O-])cc1)C1CCC(C)CC1 ZINC001594725628 987231603 /nfs/dbraw/zinc/23/16/03/987231603.db2.gz ZGGZPTBFLBFVHK-JTTJXQCZSA-N -1 0 347.455 3.965 20 0 EHADRM CCS[C@H]1CCC[C@@H]1NC(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001597255700 987255950 /nfs/dbraw/zinc/25/59/50/987255950.db2.gz FLIFSWRCLMLMGZ-QWRGUYRKSA-N -1 0 342.486 3.859 20 0 EHADRM CC[C@@H](C(=O)Nc1cc(C(=O)[O-])no1)c1cccc(C(F)(F)F)c1 ZINC001594734959 987265493 /nfs/dbraw/zinc/26/54/93/987265493.db2.gz FSXPDUUDKKXADM-SNVBAGLBSA-N -1 0 342.273 3.524 20 0 EHADRM CC[C@@H](C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1)c1c(C)noc1C ZINC001594735106 987266390 /nfs/dbraw/zinc/26/63/90/987266390.db2.gz IAKTUXBVVDWLTA-ZUZCIYMTSA-N -1 0 330.384 3.612 20 0 EHADRM CC[C@@H](C(=O)Nc1cc(C)cc(C(=O)[O-])c1)c1ccc(OC)cc1 ZINC001594735382 987268324 /nfs/dbraw/zinc/26/83/24/987268324.db2.gz MKOAQHPHYZKDCP-QGZVFWFLSA-N -1 0 327.380 3.834 20 0 EHADRM CCS[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001597258831 987274278 /nfs/dbraw/zinc/27/42/78/987274278.db2.gz WNYPDRTTZCVINV-CABCVRRESA-N -1 0 336.457 3.879 20 0 EHADRM CCSCC[C@@H](C)N(C)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001597259336 987280351 /nfs/dbraw/zinc/28/03/51/987280351.db2.gz QSSSGOYVOCUWNS-SNVBAGLBSA-N -1 0 328.409 3.519 20 0 EHADRM CC[C@H](C(=O)Nc1c(C)csc1C(=O)[O-])c1ccc(OC)cc1 ZINC001594737552 987281798 /nfs/dbraw/zinc/28/17/98/987281798.db2.gz YMVJAODSNGBXQH-ZDUSSCGKSA-N -1 0 333.409 3.896 20 0 EHADRM CCSCc1ccc(C(=O)Nc2cnc(C)c(C(=O)[O-])c2)cc1 ZINC001597264877 987291931 /nfs/dbraw/zinc/29/19/31/987291931.db2.gz BLJKBMBTGRHZCU-UHFFFAOYSA-N -1 0 330.409 3.594 20 0 EHADRM CCSc1ccc(CC(=O)Nc2ccc(OC)cc2C(=O)[O-])cc1 ZINC001597272539 987322594 /nfs/dbraw/zinc/32/25/94/987322594.db2.gz KEQUSSJXBQPCNG-UHFFFAOYSA-N -1 0 345.420 3.687 20 0 EHADRM CC(C)(C(=O)NCc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1F ZINC001589572299 987344211 /nfs/dbraw/zinc/34/42/11/987344211.db2.gz NLMJMRTVVSVYSN-UHFFFAOYSA-N -1 0 349.789 3.771 20 0 EHADRM CC[C@@H]1C[C@H]1C(=O)Nc1c(OCc2ccccc2)cccc1C(=O)[O-] ZINC001597299951 987405563 /nfs/dbraw/zinc/40/55/63/987405563.db2.gz TWDMLLSRIXMRNJ-GDBMZVCRSA-N -1 0 339.391 3.948 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)Nc2ccc3cnccc3c2)C1 ZINC001589611342 987462903 /nfs/dbraw/zinc/46/29/03/987462903.db2.gz GNLTZUCTOYBTLT-HNNXBMFYSA-N -1 0 341.411 3.590 20 0 EHADRM CC(C)(C(=O)[O-])N(Cc1ccccc1)C(=O)C[C@@H]1CCC(F)(F)C1 ZINC001589617266 987491454 /nfs/dbraw/zinc/49/14/54/987491454.db2.gz YMCIFGHVEDAOLR-AWEZNQCLSA-N -1 0 339.382 3.704 20 0 EHADRM CCc1[nH]c(C(=O)N2CCC[C@]2(C)c2ccccc2)c(C)c1C(=O)[O-] ZINC001597361037 987516277 /nfs/dbraw/zinc/51/62/77/987516277.db2.gz LBMAPPOTTGQXRH-HXUWFJFHSA-N -1 0 340.423 3.735 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Nc2cc3c(cn2)CCC3)cc1 ZINC001589637449 987555971 /nfs/dbraw/zinc/55/59/71/987555971.db2.gz AZHSAVWSMQNUOA-UHFFFAOYSA-N -1 0 339.395 3.577 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)Cc2cccc3ncccc23)c1 ZINC001589650107 987596488 /nfs/dbraw/zinc/59/64/88/987596488.db2.gz FFOMLPUBAWJOBR-UHFFFAOYSA-N -1 0 349.386 3.745 20 0 EHADRM CCc1c(NC(=O)Nc2cccc(C(=O)[O-])c2)cnn1CCC(C)C ZINC001597420128 987731510 /nfs/dbraw/zinc/73/15/10/987731510.db2.gz MAKMORJXVGYEEI-UHFFFAOYSA-N -1 0 344.415 3.834 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)/C=C\c1csc(C(F)(F)F)c1 ZINC001589701365 987796420 /nfs/dbraw/zinc/79/64/20/987796420.db2.gz YLTBMOMPMGIQLA-LWTINBJPSA-N -1 0 349.374 3.786 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2cc(Cl)cc(Cl)n2)s1 ZINC001597442854 987807832 /nfs/dbraw/zinc/80/78/32/987807832.db2.gz GKGSZEDYBOTITR-UHFFFAOYSA-N -1 0 345.207 3.963 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)N2CCC(F)(F)C[C@H]2C)s1 ZINC001597442865 987808022 /nfs/dbraw/zinc/80/80/22/987808022.db2.gz GTDJZXCDVPTRKE-MRVPVSSYSA-N -1 0 332.372 3.660 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)c1cccc(SC(F)(F)F)c1 ZINC001589704188 987808685 /nfs/dbraw/zinc/80/86/85/987808685.db2.gz DOOPFLQNEUEWRY-LLVKDONJSA-N -1 0 349.374 3.918 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)c1cc2ccnc(Cl)c2s1 ZINC001589704178 987808716 /nfs/dbraw/zinc/80/87/16/987808716.db2.gz CUOQTZBMNRCWCK-JTQLQIEISA-N -1 0 340.832 3.569 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2cc3ccncc3s2)s1 ZINC001597444145 987813736 /nfs/dbraw/zinc/81/37/36/987813736.db2.gz YXPWICZRNSROGO-UHFFFAOYSA-N -1 0 332.406 3.871 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)CCC(=O)c1cccc(F)c1 ZINC001597449545 987833514 /nfs/dbraw/zinc/83/35/14/987833514.db2.gz GERJLCOXYXXVFW-UHFFFAOYSA-N -1 0 343.354 3.688 20 0 EHADRM CC(C)(C)C(F)(F)CNC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001589712359 987844967 /nfs/dbraw/zinc/84/49/67/987844967.db2.gz VCWVNEDYDMQLOV-QWHCGFSZSA-N -1 0 340.370 3.678 20 0 EHADRM CC(C)(C)[C@@H](Nc1nc(C(F)F)nc2ccc(F)cc21)C(=O)[O-] ZINC001589721190 987886052 /nfs/dbraw/zinc/88/60/52/987886052.db2.gz YNUNJKDNRFQYHC-JTQLQIEISA-N -1 0 327.306 3.618 20 0 EHADRM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)NCCCCCCC(=O)[O-] ZINC001589728227 987928974 /nfs/dbraw/zinc/92/89/74/987928974.db2.gz GMQQYKBKAVVUNH-GJZGRUSLSA-N -1 0 326.481 3.926 20 0 EHADRM CC(C)(C)[C@@H]1Cc2ccccc2N(C(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC001589738298 988002007 /nfs/dbraw/zinc/00/20/07/988002007.db2.gz KUVAJWLWAIYOOW-CQSZACIVSA-N -1 0 326.396 3.578 20 0 EHADRM CC(C)(C)/C=C/C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001589738617 988005015 /nfs/dbraw/zinc/00/50/15/988005015.db2.gz PYSZGFMBIQCQRM-MDZDMXLPSA-N -1 0 330.428 3.916 20 0 EHADRM CSCC1CCC(NC(=O)Nc2cc(C)cc(C(=O)[O-])c2)CC1 ZINC001599792502 988033680 /nfs/dbraw/zinc/03/36/80/988033680.db2.gz SFEDRPAURNYFJN-UHFFFAOYSA-N -1 0 336.457 3.737 20 0 EHADRM CCc1ccc(Br)cc1C(=O)Oc1ccc(C(=O)[O-])cc1 ZINC001597494981 988040598 /nfs/dbraw/zinc/04/05/98/988040598.db2.gz NLJWAPJBRILKPT-UHFFFAOYSA-N -1 0 349.180 3.929 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)C(=O)[O-] ZINC001589750802 988047829 /nfs/dbraw/zinc/04/78/29/988047829.db2.gz DAPMSAVCBXTPSR-KRWDZBQOSA-N -1 0 342.439 3.666 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)c1cc(C(=O)[O-])ccn1)c1ccccc1 ZINC001589751082 988049381 /nfs/dbraw/zinc/04/93/81/988049381.db2.gz HMRIPHGQMFMCFV-MRXNPFEDSA-N -1 0 326.396 3.687 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)c1cc(Cl)c(F)cc1Cl)C(=O)[O-] ZINC001589751831 988057762 /nfs/dbraw/zinc/05/77/62/988057762.db2.gz SDBXXUNGRLVMQA-LLVKDONJSA-N -1 0 336.190 3.752 20 0 EHADRM CCc1ccc(C(=O)Nc2cc(OC)ccc2C(=O)[O-])cc1CC ZINC001597502940 988069537 /nfs/dbraw/zinc/06/95/37/988069537.db2.gz MMUVRYZSUWSHPQ-UHFFFAOYSA-N -1 0 327.380 3.771 20 0 EHADRM CCc1ccc(C(C)(C)NC(=O)/C=C/c2cc(C(=O)[O-])co2)cc1 ZINC001597508776 988088526 /nfs/dbraw/zinc/08/85/26/988088526.db2.gz UKYDZFWQYDIFLI-MDZDMXLPSA-N -1 0 327.380 3.605 20 0 EHADRM CCc1ccc(C(C)(C)CNC(=O)c2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001597509171 988090650 /nfs/dbraw/zinc/09/06/50/988090650.db2.gz ZJUKUQCFRGJFFN-UHFFFAOYSA-N -1 0 339.435 3.963 20 0 EHADRM CCc1ccc([C@H](C)C(=O)Nc2c(C)ccc(C(=O)[O-])c2O)cc1 ZINC001597511940 988093985 /nfs/dbraw/zinc/09/39/85/988093985.db2.gz KSMIUBPKZBENHT-LBPRGKRZSA-N -1 0 327.380 3.703 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N[C@@](CC)(C(=O)[O-])c2ccccc2)cc1 ZINC001597512211 988096804 /nfs/dbraw/zinc/09/68/04/988096804.db2.gz SLGBDOBSYUNAMJ-YCRPNKLZSA-N -1 0 339.435 3.859 20 0 EHADRM CC(C)(C)C[C@@H]1CCN(C(=O)NC2CCC(C(=O)[O-])CC2)C1(C)C ZINC001589764783 988107948 /nfs/dbraw/zinc/10/79/48/988107948.db2.gz XBMCIRBFGOTSEG-SLTAFYQDSA-N -1 0 338.492 3.876 20 0 EHADRM CC(C)(C)CCCCC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001589771737 988124272 /nfs/dbraw/zinc/12/42/72/988124272.db2.gz DZZXUZHUIHSBID-HXUWFJFHSA-N -1 0 331.456 3.848 20 0 EHADRM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NC2CC(CC(=O)[O-])C2)o1 ZINC001597517418 988132654 /nfs/dbraw/zinc/13/26/54/988132654.db2.gz MMBZCOUZXWIDQG-USPMSXPRSA-N -1 0 348.443 3.578 20 0 EHADRM CCc1ccc(CC)c(NC(=O)NCc2ccccc2CC(=O)[O-])c1 ZINC001597523353 988159644 /nfs/dbraw/zinc/15/96/44/988159644.db2.gz NZCLAMYARBWBFJ-UHFFFAOYSA-N -1 0 340.423 3.760 20 0 EHADRM CCc1ccc(CCNC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC001597525148 988167154 /nfs/dbraw/zinc/16/71/54/988167154.db2.gz ZTUBTYCJJGYYHY-UHFFFAOYSA-N -1 0 326.396 3.620 20 0 EHADRM CCc1ccc(NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1OC ZINC001597545588 988248528 /nfs/dbraw/zinc/24/85/28/988248528.db2.gz YMOGJYBSWBCKAU-UHFFFAOYSA-N -1 0 342.395 3.620 20 0 EHADRM CCc1ccc(NC(=O)COC[C@@H](C)c2ccccc2)c(C(=O)[O-])c1 ZINC001597545597 988248723 /nfs/dbraw/zinc/24/87/23/988248723.db2.gz YOTTXYQCBZMWFR-CQSZACIVSA-N -1 0 341.407 3.706 20 0 EHADRM CCc1ccc(NC(=O)NCc2ccc(CC(=O)[O-])cc2)cc1C ZINC001597547426 988258863 /nfs/dbraw/zinc/25/88/63/988258863.db2.gz ZFCLVHBBDJEABT-UHFFFAOYSA-N -1 0 326.396 3.506 20 0 EHADRM CCc1ccc(NC(=O)c2ccnc(OC3CCC3)c2)c(C(=O)[O-])c1 ZINC001597550756 988269295 /nfs/dbraw/zinc/26/92/95/988269295.db2.gz LPJJUSGDKGERLO-UHFFFAOYSA-N -1 0 340.379 3.526 20 0 EHADRM CCc1ccc(NC(=O)c2ccc3scnc3c2)c(C(=O)[O-])c1 ZINC001597551346 988273997 /nfs/dbraw/zinc/27/39/97/988273997.db2.gz YKCFZMRWEBHNEO-UHFFFAOYSA-N -1 0 326.377 3.809 20 0 EHADRM CSc1cc(C)ccc1NC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001599807532 988280381 /nfs/dbraw/zinc/28/03/81/988280381.db2.gz OEEIQCTVODPZNL-UHFFFAOYSA-N -1 0 344.436 3.779 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC001599808701 988297630 /nfs/dbraw/zinc/29/76/30/988297630.db2.gz MLNFWBRGISPSIU-UHFFFAOYSA-N -1 0 342.848 3.827 20 0 EHADRM CSc1cc(C)c(C(=O)N2CCCc3ccc(C(=O)[O-])cc32)o1 ZINC001599809070 988303000 /nfs/dbraw/zinc/30/30/00/988303000.db2.gz ZQZVZVJCODGCQB-UHFFFAOYSA-N -1 0 331.393 3.601 20 0 EHADRM CCc1ccc([C@H](C)NC(=O)Nc2cc(C)c(C(=O)[O-])cn2)cc1 ZINC001597563432 988314210 /nfs/dbraw/zinc/31/42/10/988314210.db2.gz JWYLHDVUNRRPBM-LBPRGKRZSA-N -1 0 327.384 3.533 20 0 EHADRM CCc1ccc2c(c1)CCN(C(=O)Nc1ccc(C(=O)[O-])cc1C)C2 ZINC001597568869 988329448 /nfs/dbraw/zinc/32/94/48/988329448.db2.gz KZJXHCQSJFJEIM-UHFFFAOYSA-N -1 0 338.407 3.846 20 0 EHADRM CCc1ccc2occ(C(=O)N3C[C@@H](C(=O)[O-])c4ccccc43)c2c1 ZINC001597570344 988342096 /nfs/dbraw/zinc/34/20/96/988342096.db2.gz DNMNXTOFUPCPJZ-OAHLLOKOSA-N -1 0 335.359 3.824 20 0 EHADRM CSc1ccc(CCC(=O)Oc2ccc(CC(=O)[O-])cc2)cc1 ZINC001599812328 988358298 /nfs/dbraw/zinc/35/82/98/988358298.db2.gz BAFDOCOACCQTHK-UHFFFAOYSA-N -1 0 330.405 3.574 20 0 EHADRM CSc1ccc(CCCC(=O)NCC2(C(=O)[O-])CCCCC2)cc1 ZINC001599812486 988361133 /nfs/dbraw/zinc/36/11/33/988361133.db2.gz HKYFDNDQXHVBFJ-UHFFFAOYSA-N -1 0 349.496 3.883 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)C(F)(F)c1ccc(OC)cc1 ZINC001597576357 988365537 /nfs/dbraw/zinc/36/55/37/988365537.db2.gz LDAOHXFHKJZWFZ-UHFFFAOYSA-N -1 0 349.333 3.686 20 0 EHADRM CCc1cccc(C)c1NC(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC001597579429 988380529 /nfs/dbraw/zinc/38/05/29/988380529.db2.gz YACNUSAEGKFHTR-INIZCTEOSA-N -1 0 332.444 3.960 20 0 EHADRM CCc1cccc(CC(=O)N(CCC(=O)[O-])c2ccccc2C)c1 ZINC001597581139 988386081 /nfs/dbraw/zinc/38/60/81/988386081.db2.gz PDEAEGVUENEBKK-UHFFFAOYSA-N -1 0 325.408 3.608 20 0 EHADRM CCc1cccc(C)c1NC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC001597581143 988386108 /nfs/dbraw/zinc/38/61/08/988386108.db2.gz PIRWXWUFCUFNGV-UHFFFAOYSA-N -1 0 349.390 3.694 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cnn(C2CCCCC2)c1 ZINC001597591799 988415483 /nfs/dbraw/zinc/41/54/83/988415483.db2.gz JAFRYUAPWPBFNN-UHFFFAOYSA-N -1 0 341.411 3.901 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1ccc(OC(C)C)cc1 ZINC001597594873 988435576 /nfs/dbraw/zinc/43/55/76/988435576.db2.gz YUSFNXIQRXLLLU-UHFFFAOYSA-N -1 0 327.380 3.987 20 0 EHADRM CSc1cccc(C(=O)Nc2c(C)c(C(=O)[O-])ccc2Cl)n1 ZINC001599821848 988527685 /nfs/dbraw/zinc/52/76/85/988527685.db2.gz KDRRQDUBDCZWSM-UHFFFAOYSA-N -1 0 336.800 3.716 20 0 EHADRM CSc1cccc(NC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)c1C ZINC001599824746 988578136 /nfs/dbraw/zinc/57/81/36/988578136.db2.gz NVGJYBAIQSJVMP-FZKQIMNGSA-N -1 0 348.468 3.826 20 0 EHADRM CSc1cccnc1C(=O)Oc1cc2ccccc2cc1C(=O)[O-] ZINC001599826147 988600665 /nfs/dbraw/zinc/60/06/65/988600665.db2.gz YTLQIGJSSAGYBR-UHFFFAOYSA-N -1 0 339.372 3.874 20 0 EHADRM CSc1ccccc1[C@H](C)NC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001599826429 988604436 /nfs/dbraw/zinc/60/44/36/988604436.db2.gz PEARGVXXWZLKOK-LBPRGKRZSA-N -1 0 329.421 3.906 20 0 EHADRM CCc1nc(C(C)C)ccc1C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC001597652620 988700189 /nfs/dbraw/zinc/70/01/89/988700189.db2.gz RQOYGIDUPXHODA-UHFFFAOYSA-N -1 0 327.380 3.614 20 0 EHADRM C[C@@H](NC(=O)CCCC(=O)[O-])c1ccccc1OCc1ccccc1 ZINC001599838100 988777176 /nfs/dbraw/zinc/77/71/76/988777176.db2.gz OMRHLTVAOPPVBI-OAHLLOKOSA-N -1 0 341.407 3.698 20 0 EHADRM CCc1nc(NC(=O)[C@@H](CC)Cc2ccccc2C)sc1C(=O)[O-] ZINC001597675605 988785179 /nfs/dbraw/zinc/78/51/79/988785179.db2.gz GEODHRSMSILFHF-LBPRGKRZSA-N -1 0 346.452 3.920 20 0 EHADRM CCc1nc(NC(=O)/C=C(\C)c2ccc(F)cc2)sc1C(=O)[O-] ZINC001597678579 988799490 /nfs/dbraw/zinc/79/94/90/988799490.db2.gz QPHXKJXWOIMLRZ-CMDGGOBGSA-N -1 0 334.372 3.585 20 0 EHADRM CCc1nc(NC(=O)c2cc3cccc(C)c3o2)sc1C(=O)[O-] ZINC001597682394 988822004 /nfs/dbraw/zinc/82/20/04/988822004.db2.gz XUHAPDHUXRGWKT-UHFFFAOYSA-N -1 0 330.365 3.711 20 0 EHADRM C[C@@H](NCc1ccc(C(=O)[O-])cn1)c1cc(Cl)ccc1Cl ZINC001599841537 988844532 /nfs/dbraw/zinc/84/45/32/988844532.db2.gz PLSJZDDYLQONEF-SECBINFHSA-N -1 0 325.195 3.937 20 0 EHADRM C[C@@H](NCc1nc2cc(C(=O)[O-])ccc2[nH]1)c1cc2ccccc2o1 ZINC001599841819 988851048 /nfs/dbraw/zinc/85/10/48/988851048.db2.gz NXVGSJXZTMNGMZ-LLVKDONJSA-N -1 0 335.363 3.858 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)c1 ZINC000179524871 1015430019 /nfs/dbraw/zinc/43/00/19/1015430019.db2.gz GXRZWNFPDFPIMV-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM CCc1ncnc(N[C@@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])c1F ZINC001597709163 988957784 /nfs/dbraw/zinc/95/77/84/988957784.db2.gz JJPSCCJZMCSKEA-BBRMVZONSA-N -1 0 343.402 3.553 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)C[C@H]1C(=O)[O-] ZINC001599862675 989194672 /nfs/dbraw/zinc/19/46/72/989194672.db2.gz PLPFRPMZFUPXGY-MRVWCRGKSA-N -1 0 349.496 3.692 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)CSCc1cccs1 ZINC001597772423 989238620 /nfs/dbraw/zinc/23/86/20/989238620.db2.gz NZCWHONLNFKEMF-UHFFFAOYSA-N -1 0 340.422 3.578 20 0 EHADRM CCc1oc(CNc2cnc3c(ccc(F)c3F)c2)cc1C(=O)[O-] ZINC001597805145 989410787 /nfs/dbraw/zinc/41/07/87/989410787.db2.gz UDKWIACOKKODFH-UHFFFAOYSA-N -1 0 332.306 3.979 20 0 EHADRM CCc1oc2ccccc2c1C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001597807516 989419204 /nfs/dbraw/zinc/41/92/04/989419204.db2.gz AFPMMJBSNACQNG-UHFFFAOYSA-N -1 0 329.396 3.760 20 0 EHADRM CC(C)(C)OC(=O)NCCS[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001590200800 989563157 /nfs/dbraw/zinc/56/31/57/989563157.db2.gz JWJUQLMLJZGITN-LBPRGKRZSA-N -1 0 345.848 3.724 20 0 EHADRM CCn1cc(C(=O)Nc2ccc(C(=O)[O-])s2)c(-c2ccccc2)n1 ZINC001597880415 989702034 /nfs/dbraw/zinc/70/20/34/989702034.db2.gz SVXOPYOLPJMUKY-UHFFFAOYSA-N -1 0 341.392 3.582 20 0 EHADRM CCn1cnnc1S[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001597926707 989866681 /nfs/dbraw/zinc/86/66/81/989866681.db2.gz BQOUMRVBSMVPFM-SNVBAGLBSA-N -1 0 332.212 3.523 20 0 EHADRM CCn1cnnc1S[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001597926980 989871346 /nfs/dbraw/zinc/87/13/46/989871346.db2.gz SZFHBFSSTGUQGA-SNVBAGLBSA-N -1 0 332.212 3.523 20 0 EHADRM CCn1nc(C(C)C)cc1C(=O)Nc1ccc(C)c(C)c1C(=O)[O-] ZINC001597927714 989877038 /nfs/dbraw/zinc/87/70/38/989877038.db2.gz BEQXLUCFIPCLGL-UHFFFAOYSA-N -1 0 329.400 3.594 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)Oc2ccc(CC(=O)[O-])cc2F)cc1 ZINC001590409500 989947526 /nfs/dbraw/zinc/94/75/26/989947526.db2.gz LJALNDJJUPEKOB-UHFFFAOYSA-N -1 0 346.354 3.849 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)n1 ZINC001590416666 989956912 /nfs/dbraw/zinc/95/69/12/989956912.db2.gz NLSLQLQWSVYJRC-UHFFFAOYSA-N -1 0 342.395 3.528 20 0 EHADRM CC(C)(C)Oc1ccccc1NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001590420093 989962750 /nfs/dbraw/zinc/96/27/50/989962750.db2.gz MXFTVOLNBSFRKG-LUAWRHEFSA-N -1 0 329.352 3.807 20 0 EHADRM CC(C)(C)SCC(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1 ZINC001590429626 989984984 /nfs/dbraw/zinc/98/49/84/989984984.db2.gz QPRFWRRJFBXSNB-CQSZACIVSA-N -1 0 329.506 3.838 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)[C@H]2CCCSC2)s1 ZINC001590460985 990025097 /nfs/dbraw/zinc/02/50/97/990025097.db2.gz IZRANWCFVOBWGN-VIFPVBQESA-N -1 0 327.471 3.826 20 0 EHADRM CC(C)(C)c1cc(CCC(=O)OCC(=O)[O-])cc(C(C)(C)C)c1O ZINC001590463629 990038750 /nfs/dbraw/zinc/03/87/50/990038750.db2.gz OLWDPQAHQRINEJ-UHFFFAOYSA-N -1 0 336.428 3.548 20 0 EHADRM CC(C)(C)c1ccc(/C=C/C(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC001590479448 990052847 /nfs/dbraw/zinc/05/28/47/990052847.db2.gz AYRUFSQPFKMASO-VUVZNRFTSA-N -1 0 337.419 3.939 20 0 EHADRM CC(C)(C)c1ccc(CCC(=O)NC[C@H](CC(=O)[O-])C2CC2)cc1 ZINC001590484749 990079863 /nfs/dbraw/zinc/07/98/63/990079863.db2.gz FRXYDCBOZRLLTH-INIZCTEOSA-N -1 0 331.456 3.534 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)cc1F ZINC001590492481 990091956 /nfs/dbraw/zinc/09/19/56/990091956.db2.gz CCZRTQXFMQLCEW-MSIPSHCFSA-N -1 0 348.418 3.744 20 0 EHADRM CN(C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)C1(C(=O)[O-])CCCC1 ZINC001597991605 990096271 /nfs/dbraw/zinc/09/62/71/990096271.db2.gz QRTIMPHNMWXEPV-GFCCVEGCSA-N -1 0 347.308 3.572 20 0 EHADRM CC(C)(C)c1ccc(O)c(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)c1 ZINC001590494305 990100819 /nfs/dbraw/zinc/10/08/19/990100819.db2.gz YRAHRWGXMQUVDW-UHFFFAOYSA-N -1 0 331.412 3.663 20 0 EHADRM CC(C)(C)c1cccc(C(=O)N2C[C@H](C(=O)[O-])Cc3ccccc32)c1 ZINC001590499060 990111272 /nfs/dbraw/zinc/11/12/72/990111272.db2.gz PDGHBGUZISVLRJ-MRXNPFEDSA-N -1 0 337.419 3.888 20 0 EHADRM CC(C)(C)c1nc(C(=O)OC[C@](C)(C(=O)[O-])c2ccccc2)cs1 ZINC001590537797 990157592 /nfs/dbraw/zinc/15/75/92/990157592.db2.gz TYRCFKXOFJCLSX-SFHVURJKSA-N -1 0 347.436 3.640 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)N[C@H](CC(=O)[O-])C3CC3)ccc2o1 ZINC001590545513 990182445 /nfs/dbraw/zinc/18/24/45/990182445.db2.gz HMMXZECUPCWVFW-GFCCVEGCSA-N -1 0 345.399 3.500 20 0 EHADRM CN(C(=O)CCc1ccc(C(F)F)cc1)C1(C(=O)[O-])CCCCC1 ZINC001598018556 990203010 /nfs/dbraw/zinc/20/30/10/990203010.db2.gz UOIUIWUEHDBMJK-UHFFFAOYSA-N -1 0 339.382 3.803 20 0 EHADRM CN(C(=O)Cc1cccc(C(=O)[O-])c1)C1CC(C)(C)CC(C)(C)C1 ZINC001598036463 990262833 /nfs/dbraw/zinc/26/28/33/990262833.db2.gz JGHGIWCDNLYSDS-UHFFFAOYSA-N -1 0 331.456 3.991 20 0 EHADRM CC(C)(CC(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1)CC(F)(F)F ZINC001590620850 990298195 /nfs/dbraw/zinc/29/81/95/990298195.db2.gz JEVIWGMIZOOBBS-OAHLLOKOSA-N -1 0 337.382 3.895 20 0 EHADRM CC(C)(CC(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1)CC(F)(F)F ZINC001590625804 990311116 /nfs/dbraw/zinc/31/11/16/990311116.db2.gz XVBVDDJQEWFXSF-UHFFFAOYSA-N -1 0 343.305 3.568 20 0 EHADRM CC(C)(CC(=O)[O-])Cc1nnc(COc2ccc3ccccc3c2)o1 ZINC001590637505 990327407 /nfs/dbraw/zinc/32/74/07/990327407.db2.gz LDNYRDHCVYVERZ-UHFFFAOYSA-N -1 0 340.379 3.845 20 0 EHADRM CN(C(=O)Nc1ccc(F)c(C(=O)[O-])c1)C1CCC(F)(F)CC1 ZINC001598060351 990328997 /nfs/dbraw/zinc/32/89/97/990328997.db2.gz NXLHGYOQQDZUQR-UHFFFAOYSA-N -1 0 330.306 3.566 20 0 EHADRM CC(C)(C)[C@H]1CCc2sc(C(=O)NC(C)(C)CC(=O)[O-])cc2C1 ZINC001590642177 990331462 /nfs/dbraw/zinc/33/14/62/990331462.db2.gz FGLAOQCESLHYCP-LBPRGKRZSA-N -1 0 337.485 3.882 20 0 EHADRM CN(C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001598073281 990376277 /nfs/dbraw/zinc/37/62/77/990376277.db2.gz YGOBMGCTRPWYRR-TVFCKZIOSA-N -1 0 329.440 3.672 20 0 EHADRM CN(C(=O)c1cc2cc(Cl)sc2[nH]1)C1(C(=O)[O-])CCCCC1 ZINC001598078496 990387034 /nfs/dbraw/zinc/38/70/34/990387034.db2.gz BHJQEUUDAGGIBX-UHFFFAOYSA-N -1 0 340.832 3.742 20 0 EHADRM CN(C(=O)c1ccccc1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598093686 990442285 /nfs/dbraw/zinc/44/22/85/990442285.db2.gz QNLXPRZOQVTXKI-AWEZNQCLSA-N -1 0 338.190 3.891 20 0 EHADRM CN(C(=O)c1ccsc1)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598095898 990447304 /nfs/dbraw/zinc/44/73/04/990447304.db2.gz ATXKHSQOXPYABR-LBPRGKRZSA-N -1 0 344.219 3.953 20 0 EHADRM CN(C(=O)c1ccoc1CC(=O)[O-])C1(Cc2ccccc2)CCCC1 ZINC001598096595 990453440 /nfs/dbraw/zinc/45/34/40/990453440.db2.gz XPTHJXQTQJTIEJ-UHFFFAOYSA-N -1 0 341.407 3.534 20 0 EHADRM CC(C)(CNC(=O)CCc1cccc(OC2CCCC2)c1)CC(=O)[O-] ZINC001590713201 990466735 /nfs/dbraw/zinc/46/67/35/990466735.db2.gz USKLSSWMHZFFJQ-UHFFFAOYSA-N -1 0 347.455 3.558 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(F)cc1C(C)(F)F)CC(=O)[O-] ZINC001590734314 990528160 /nfs/dbraw/zinc/52/81/60/990528160.db2.gz LOLTWKRVGUJPQT-UHFFFAOYSA-N -1 0 332.322 3.560 20 0 EHADRM CC(C)(CNC(=O)c1cc(OCc2ccccc2)cs1)CC(=O)[O-] ZINC001590746612 990543482 /nfs/dbraw/zinc/54/34/82/990543482.db2.gz BGPROYCEMZOCHD-UHFFFAOYSA-N -1 0 347.436 3.558 20 0 EHADRM CC(C)(CNc1cc(C(F)(F)F)c(C(=O)[O-])cn1)[C@H]1CCCCO1 ZINC001590774522 990578764 /nfs/dbraw/zinc/57/87/64/990578764.db2.gz XXEZEYUBZLDMSW-GFCCVEGCSA-N -1 0 346.349 3.806 20 0 EHADRM CC(C)(CNc1nccnc1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001590779870 990589827 /nfs/dbraw/zinc/58/98/27/990589827.db2.gz CXYDLXMTHCMSCN-UHFFFAOYSA-N -1 0 339.317 3.583 20 0 EHADRM CC(C)(CNc1ncc(C(=O)[O-])cc1C(F)(F)F)C1CCOCC1 ZINC001590780204 990593427 /nfs/dbraw/zinc/59/34/27/990593427.db2.gz UGHPCGBEMBOXKB-UHFFFAOYSA-N -1 0 346.349 3.663 20 0 EHADRM CC(C)(CSc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)[O-] ZINC001590820222 990653437 /nfs/dbraw/zinc/65/34/37/990653437.db2.gz JSEPXDBFLXPOQF-UHFFFAOYSA-N -1 0 343.408 3.730 20 0 EHADRM CC(C)(NC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)C1CCCCC1 ZINC001590855595 990740921 /nfs/dbraw/zinc/74/09/21/990740921.db2.gz DTLAHZZVTHKWDW-UHFFFAOYSA-N -1 0 344.415 3.742 20 0 EHADRM CCCC[C@@H](NC(=O)Nc1ccc(SC)c(Cl)c1)C(=O)[O-] ZINC000579871181 1015601767 /nfs/dbraw/zinc/60/17/67/1015601767.db2.gz MFEASJINYYNIDS-LLVKDONJSA-N -1 0 330.837 3.827 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001590968054 991088688 /nfs/dbraw/zinc/08/86/88/991088688.db2.gz NACOFMUZFYAWIK-QMMLZNLJSA-N -1 0 343.467 3.747 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)C(=O)Nc1ncc(C(=O)[O-])s1 ZINC001590968667 991091930 /nfs/dbraw/zinc/09/19/30/991091930.db2.gz UEFWOZAKVJPLTJ-KRWDZBQOSA-N -1 0 332.425 3.685 20 0 EHADRM CC(C)[C@H](CCc1ccccc1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001590980393 991131235 /nfs/dbraw/zinc/13/12/35/991131235.db2.gz CEMVWFVXXILHTF-MOPGFXCFSA-N -1 0 345.483 3.995 20 0 EHADRM COc1ccccc1-c1nnc(SC[C@@H]2CCCC[C@@H]2C(=O)[O-])o1 ZINC001599694961 991134094 /nfs/dbraw/zinc/13/40/94/991134094.db2.gz SJIGBTFAQVQOMU-RYUDHWBXSA-N -1 0 348.424 3.728 20 0 EHADRM CC(C)C(CNC(=O)Nc1ccc(OCCC(=O)[O-])cc1)C(C)C ZINC001590989189 991195131 /nfs/dbraw/zinc/19/51/31/991195131.db2.gz SFPXMUGAECPDRX-UHFFFAOYSA-N -1 0 336.432 3.590 20 0 EHADRM CC(C)[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)C1CC1 ZINC001591015052 991295771 /nfs/dbraw/zinc/29/57/71/991295771.db2.gz XCYLOISVHAQKJI-ZDUSSCGKSA-N -1 0 342.342 3.542 20 0 EHADRM COc1ccccc1C[C@H](CNC(=O)CCCCC(C)(C)C)C(=O)[O-] ZINC001599707140 991309897 /nfs/dbraw/zinc/30/98/97/991309897.db2.gz SLOGGUWZWPORIY-MRXNPFEDSA-N -1 0 349.471 3.661 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)OC1CCC(CC(=O)[O-])CC1 ZINC001599708300 991327022 /nfs/dbraw/zinc/32/70/22/991327022.db2.gz GCSAVEOPHHFQNM-HPUBIQBYSA-N -1 0 348.439 3.841 20 0 EHADRM COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC001599718843 991502205 /nfs/dbraw/zinc/50/22/05/991502205.db2.gz CSMGDGHYGPCFPF-QWHCGFSZSA-N -1 0 345.782 3.789 20 0 EHADRM CC(C)C1(C)CCN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)CC1 ZINC001591061962 991504853 /nfs/dbraw/zinc/50/48/53/991504853.db2.gz PORWIZUIYIXHAA-UHFFFAOYSA-N -1 0 348.443 3.830 20 0 EHADRM CC(C)C1(C)CCN(C(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC001591062218 991507050 /nfs/dbraw/zinc/50/70/50/991507050.db2.gz UGWPFSRNRWNSCC-OXQOHEQNSA-N -1 0 329.440 3.530 20 0 EHADRM CC(C)[C@H]1C[C@H](CC(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)CCO1 ZINC001591071691 991531126 /nfs/dbraw/zinc/53/11/26/991531126.db2.gz FZSZTRSOCBJTBI-RHSMWYFYSA-N -1 0 348.439 3.796 20 0 EHADRM CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)CC1 ZINC001591080711 991585824 /nfs/dbraw/zinc/58/58/24/991585824.db2.gz BKMHBYMRZJAIMB-BRWVUGGUSA-N -1 0 338.492 3.878 20 0 EHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)NCc2ccc(C(=O)[O-])cc2F)C1 ZINC001591082759 991600826 /nfs/dbraw/zinc/60/08/26/991600826.db2.gz XNDRCZTWZBGIAC-DOMZBBRYSA-N -1 0 336.407 3.538 20 0 EHADRM CC(C)CC(=O)Nc1ccc(N[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC001591110827 991763057 /nfs/dbraw/zinc/76/30/57/991763057.db2.gz DTBCJRIDHVNCRS-SFHVURJKSA-N -1 0 326.396 3.909 20 0 EHADRM COc1nccc2cc(N[C@@H](C)c3ncc(C(=O)[O-])s3)ccc21 ZINC001599736695 991785432 /nfs/dbraw/zinc/78/54/32/991785432.db2.gz FVTOTTWZHPCNHY-VIFPVBQESA-N -1 0 329.381 3.571 20 0 EHADRM Cc1ccc(-c2noc(=NCc3ncoc3-c3ccccc3)[n-]2)cc1 ZINC000484940556 1032122285 /nfs/dbraw/zinc/12/22/85/1032122285.db2.gz WKRUUZHDRPKGNG-UHFFFAOYSA-N -1 0 332.363 3.734 20 0 EHADRM CC(C)CC(CC(C)C)NC(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC001591142850 991867928 /nfs/dbraw/zinc/86/79/28/991867928.db2.gz KPDPHXUYUQPMKO-UHFFFAOYSA-N -1 0 346.471 3.913 20 0 EHADRM CN(CC1=CCSC1)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001598446433 991880626 /nfs/dbraw/zinc/88/06/26/991880626.db2.gz DAZAHRZBVYXEHQ-UHFFFAOYSA-N -1 0 342.420 3.675 20 0 EHADRM CN(C[C@@H]1CC=CCC1)C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001598453389 991912940 /nfs/dbraw/zinc/91/29/40/991912940.db2.gz HDTWVWKGYURODT-CYBMUJFWSA-N -1 0 339.395 3.753 20 0 EHADRM CC(C)C[C@@H](NCc1ccc(Cl)c(C(=O)[O-])n1)c1ccccn1 ZINC001591184660 991988439 /nfs/dbraw/zinc/98/84/39/991988439.db2.gz XFBQKILTOORJDY-OAHLLOKOSA-N -1 0 333.819 3.705 20 0 EHADRM CC(C)C[C@@H](Sc1nnc(-c2cccc(Cl)c2)o1)C(=O)[O-] ZINC001591190947 991997938 /nfs/dbraw/zinc/99/79/38/991997938.db2.gz GRLLEHWSWQCHCV-LLVKDONJSA-N -1 0 326.805 3.981 20 0 EHADRM CC(C)C[C@H](Sc1nnc(C(C)C)n1Cc1ccco1)C(=O)[O-] ZINC001591191105 991999735 /nfs/dbraw/zinc/99/97/35/991999735.db2.gz OUNWMKSGOGHIPA-ZDUSSCGKSA-N -1 0 337.445 3.634 20 0 EHADRM CC(C)CC1(NC(=O)Nc2cccc(SCCC(=O)[O-])c2)CC1 ZINC001591197225 992016930 /nfs/dbraw/zinc/01/69/30/992016930.db2.gz FEWXLMAGWYRRLN-UHFFFAOYSA-N -1 0 336.457 3.954 20 0 EHADRM CC(C)CC[C@@H](C)NC(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC001591217368 992072878 /nfs/dbraw/zinc/07/28/78/992072878.db2.gz GCNCGANTAVJFSZ-VXGBXAGGSA-N -1 0 340.395 3.624 20 0 EHADRM C/C(=C/c1cccc(Cl)c1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000588593233 1032123316 /nfs/dbraw/zinc/12/33/16/1032123316.db2.gz DGTGIGFQJUBBOL-ZVHGMHCTSA-N -1 0 335.831 3.847 20 0 EHADRM CC(C)CCC[C@@H](C)NC(=O)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001591229061 992109122 /nfs/dbraw/zinc/10/91/22/992109122.db2.gz MKTFWYAHDSUTCI-CQSZACIVSA-N -1 0 348.443 3.504 20 0 EHADRM CC(C)CCCCC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001591229887 992115524 /nfs/dbraw/zinc/11/55/24/992115524.db2.gz ZJEVSIGRDHLTDT-OAHLLOKOSA-N -1 0 329.799 3.937 20 0 EHADRM CC(C)CCO[C@H](C)C(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC001591251539 992148340 /nfs/dbraw/zinc/14/83/40/992148340.db2.gz LHYLAMVANJGKCI-KDOFPFPSSA-N -1 0 343.423 3.533 20 0 EHADRM CC(C)CCOC(=O)N[C@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001591252056 992150689 /nfs/dbraw/zinc/15/06/89/992150689.db2.gz SJOVMRCQXHRQBP-DOTOQJQBSA-N -1 0 333.428 3.722 20 0 EHADRM CC(C)CCn1ccc(Nc2cc(C(F)(F)F)c(C(=O)[O-])cn2)n1 ZINC001591276806 992200313 /nfs/dbraw/zinc/20/03/13/992200313.db2.gz LBBCUSJXQSGOME-UHFFFAOYSA-N -1 0 342.321 3.785 20 0 EHADRM CC(C)CCn1ncc(N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@@H]23)c1C(C)C ZINC001591277598 992203239 /nfs/dbraw/zinc/20/32/39/992203239.db2.gz YFVNNUOMSMGCQP-ZJIFWQFVSA-N -1 0 333.476 3.964 20 0 EHADRM CC(C)CN(C)C(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001591287126 992228251 /nfs/dbraw/zinc/22/82/51/992228251.db2.gz IFRJPQRLGLXSHP-CYBMUJFWSA-N -1 0 346.349 3.519 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC001591291230 992241847 /nfs/dbraw/zinc/24/18/47/992241847.db2.gz VYNFAWTUHANDQR-CHWSQXEVSA-N -1 0 344.238 3.666 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1cn(C)c2ccc(F)cc12 ZINC001591313331 992276341 /nfs/dbraw/zinc/27/63/41/992276341.db2.gz WQPPSZYSEPHMIP-UHFFFAOYSA-N -1 0 348.418 3.526 20 0 EHADRM CC(C)CN(CC(C)(C)C)C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001591313940 992279541 /nfs/dbraw/zinc/27/95/41/992279541.db2.gz JDYLUHDOAZXMKK-UHFFFAOYSA-N -1 0 344.455 3.939 20 0 EHADRM CS[C@@H](C(=O)NC[C@H](C(=O)[O-])C1CCCCCC1)c1ccccc1 ZINC001599781635 992371868 /nfs/dbraw/zinc/37/18/68/992371868.db2.gz SOVNYEKGOATGNP-DLBZAZTESA-N -1 0 349.496 3.878 20 0 EHADRM CS[C@H](C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1)c1ccccc1 ZINC001599781653 992372107 /nfs/dbraw/zinc/37/21/07/992372107.db2.gz UVHBDSLXENKXKA-LBPRGKRZSA-N -1 0 348.449 3.762 20 0 EHADRM CN(CCOC(C)(C)C)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598496808 992378239 /nfs/dbraw/zinc/37/82/39/992378239.db2.gz HXITVSQEEQRASP-CYBMUJFWSA-N -1 0 334.243 3.866 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C1 ZINC000238018566 1015726864 /nfs/dbraw/zinc/72/68/64/1015726864.db2.gz IVMXKCKNKNWLEW-LLVKDONJSA-N -1 0 334.803 3.538 20 0 EHADRM CC(C)Cn1nccc1C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001591533064 992707911 /nfs/dbraw/zinc/70/79/11/992707911.db2.gz KMPQQJMTFNJQSO-UHFFFAOYSA-N -1 0 337.379 3.643 20 0 EHADRM CN(Cc1ccccc1NC[C@@H]1[C@H](C(=O)[O-])C1(F)F)c1ccccc1 ZINC001598530430 992773313 /nfs/dbraw/zinc/77/33/13/992773313.db2.gz GPAVKDZLTPKUIX-NVXWUHKLSA-N -1 0 346.377 3.701 20 0 EHADRM CC(C)N(CC1CC1)C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001591573671 992779033 /nfs/dbraw/zinc/77/90/33/992779033.db2.gz PBXHSYNSKRPSNQ-UHFFFAOYSA-N -1 0 345.443 3.637 20 0 EHADRM CN(Cc1nc(-c2ccc(C(=O)[O-])cc2)cs1)C(=O)OC(C)(C)C ZINC001598537447 992857014 /nfs/dbraw/zinc/85/70/14/992857014.db2.gz ZNHVUMKWFUHEGV-UHFFFAOYSA-N -1 0 348.424 3.875 20 0 EHADRM CN(Cc1ccc(Cl)s1)Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001598537573 992859454 /nfs/dbraw/zinc/85/94/54/992859454.db2.gz WWTSPPHZLMODFT-UHFFFAOYSA-N -1 0 335.816 3.608 20 0 EHADRM CN(c1ccc(Nc2ncc(C(=O)[O-])cn2)cc1F)C1CCCCC1 ZINC001598543847 992923546 /nfs/dbraw/zinc/92/35/46/992923546.db2.gz OGLZTBDHHHCYFF-UHFFFAOYSA-N -1 0 344.390 3.826 20 0 EHADRM COc1ccc(F)cc1[C@H](C)Nc1nc(Cl)c(C(=O)[O-])s1 ZINC001599583475 993582053 /nfs/dbraw/zinc/58/20/53/993582053.db2.gz TUACFKGQRIANOY-LURJTMIESA-N -1 0 330.768 3.816 20 0 EHADRM C[C@H](NC(=O)NCc1cc(C(=O)[O-])co1)c1cccc2ccccc21 ZINC001593098791 993727265 /nfs/dbraw/zinc/72/72/65/993727265.db2.gz OEJSAGJGLPDNAA-LBPRGKRZSA-N -1 0 338.363 3.691 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1)C1(C)CC1 ZINC001593115137 993798704 /nfs/dbraw/zinc/79/87/04/993798704.db2.gz KLSVMYDFGXNSOB-ZDUSSCGKSA-N -1 0 345.443 3.685 20 0 EHADRM C[C@](NC(=O)c1cc2ccccc2s1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593156328 993973621 /nfs/dbraw/zinc/97/36/21/993973621.db2.gz IKERCLBMMCXASI-GOSISDBHSA-N -1 0 343.379 3.770 20 0 EHADRM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl)c1ccccn1 ZINC001593196117 994152970 /nfs/dbraw/zinc/15/29/70/994152970.db2.gz UMKSOEBNIUWNJX-YMTOWFKASA-N -1 0 325.195 3.865 20 0 EHADRM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl)c1cscn1 ZINC001593196974 994159738 /nfs/dbraw/zinc/15/97/38/994159738.db2.gz XMBCACSSEYLMCM-JMCQJSRRSA-N -1 0 331.224 3.926 20 0 EHADRM COc1ccc2c(c1)CCCN2C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001599628245 994180145 /nfs/dbraw/zinc/18/01/45/994180145.db2.gz KBSLJAYMVRCMKL-UHFFFAOYSA-N -1 0 344.342 3.517 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000238042940 1015840168 /nfs/dbraw/zinc/84/01/68/1015840168.db2.gz CPCHJTVEMLEBNC-UHFFFAOYSA-N -1 0 338.190 3.664 20 0 EHADRM C[C@@H](N[C@@H](C)c1ncc(C(=O)[O-])s1)c1cc(-c2ccccc2)no1 ZINC001593204306 994200200 /nfs/dbraw/zinc/20/02/00/994200200.db2.gz PMBNNGFZUDQLHL-MNOVXSKESA-N -1 0 343.408 3.908 20 0 EHADRM C[C@@H](N[C@@H](C)c1cc(-c2ccccc2)no1)c1ncc(C(=O)[O-])s1 ZINC001593204308 994200632 /nfs/dbraw/zinc/20/06/32/994200632.db2.gz PMBNNGFZUDQLHL-WDEREUQCSA-N -1 0 343.408 3.908 20 0 EHADRM COc1ccc2c(c1)CN(C(=O)Nc1cc(C(=O)[O-])c(C)cc1C)C2 ZINC001599629978 994202572 /nfs/dbraw/zinc/20/25/72/994202572.db2.gz GXKUPIZCUMJWNE-UHFFFAOYSA-N -1 0 340.379 3.558 20 0 EHADRM C[C@H](N[C@@H](C)c1ccc(C(F)F)nc1)c1ncc(C(=O)[O-])s1 ZINC001593204930 994209550 /nfs/dbraw/zinc/20/95/50/994209550.db2.gz XREGLAWGJDNGGE-YUMQZZPRSA-N -1 0 327.356 3.586 20 0 EHADRM COc1ccc2occ(C(=O)OCc3ccsc3C(=O)[O-])c2c1 ZINC001599637561 994311489 /nfs/dbraw/zinc/31/14/89/994311489.db2.gz OJCJCKWYJHNTJR-UHFFFAOYSA-N -1 0 332.333 3.558 20 0 EHADRM C[C@@H](CNC(=O)c1cc(F)c(F)c([O-])c1F)Sc1ccccc1 ZINC000180084004 1015851291 /nfs/dbraw/zinc/85/12/91/1015851291.db2.gz WABYYXKGHKTCQD-VIFPVBQESA-N -1 0 341.354 3.720 20 0 EHADRM COc1cccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)c1C ZINC001599640895 994357197 /nfs/dbraw/zinc/35/71/97/994357197.db2.gz HVKGOZPUVGGSMH-OAHLLOKOSA-N -1 0 347.798 3.603 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)C1CCC(C2CC2)CC1 ZINC001599646470 994431366 /nfs/dbraw/zinc/43/13/66/994431366.db2.gz WQZVZJIISPPAMA-UHFFFAOYSA-N -1 0 331.412 3.573 20 0 EHADRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)C2CCCCCCC2)c1 ZINC001599650718 994494348 /nfs/dbraw/zinc/49/43/48/994494348.db2.gz YOGYQVAQRMLPLM-FQEVSTJZSA-N -1 0 347.455 3.862 20 0 EHADRM COc1cccc([C@@H](C(=O)[O-])N2CC3(CCC3)c3c2cccc3F)c1 ZINC001599651194 994503531 /nfs/dbraw/zinc/50/35/31/994503531.db2.gz UQHXAVXXEKGZSW-SFHVURJKSA-N -1 0 341.382 3.902 20 0 EHADRM COc1cccc([C@@H](C)CCCC(=O)N(C)C2(C(=O)[O-])CCCC2)c1 ZINC001599654977 994563635 /nfs/dbraw/zinc/56/36/35/994563635.db2.gz GFMZLKSZECUYAR-HNNXBMFYSA-N -1 0 347.455 3.825 20 0 EHADRM COc1cccc([C@H](Sc2ccc3c(c2)OCCCO3)C(=O)[O-])c1 ZINC001599660598 994649719 /nfs/dbraw/zinc/64/97/19/994649719.db2.gz HHEJGLNQLDSHTE-KRWDZBQOSA-N -1 0 346.404 3.775 20 0 EHADRM COc1cccc(C[C@H](C)CC(=O)Nc2scc(C(=O)[O-])c2C)c1 ZINC001599666881 994744407 /nfs/dbraw/zinc/74/44/07/994744407.db2.gz UCNZRONWVVTRRH-NSHDSACASA-N -1 0 347.436 3.971 20 0 EHADRM C[C@@H](NCc1oncc1C(=O)[O-])c1cccc(SC(F)(F)F)c1 ZINC001593318312 994831174 /nfs/dbraw/zinc/83/11/74/994831174.db2.gz FIJPVLMQZKKJBE-MRVPVSSYSA-N -1 0 346.330 3.836 20 0 EHADRM COc1cccc(CNC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1C ZINC001599672813 994844390 /nfs/dbraw/zinc/84/43/90/994844390.db2.gz FEOSVJXVKXSVJQ-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM Cc1c(Cl)cc(S(=O)(=O)Nc2ncccc2F)cc1Cl ZINC000180263934 1015896104 /nfs/dbraw/zinc/89/61/04/1015896104.db2.gz AWBFQVXSBZXXJX-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM C[C@@H](Nc1cc(C(=O)[O-])ncn1)C(c1ccccc1)c1ccccc1 ZINC001593359389 995016890 /nfs/dbraw/zinc/01/68/90/995016890.db2.gz DIDWCDMZGVZAMK-CQSZACIVSA-N -1 0 333.391 3.807 20 0 EHADRM C[C@@H](Nc1cccc(OC[C@@H]2CCCO2)c1)c1cncc(C(=O)[O-])c1 ZINC001593365562 995040458 /nfs/dbraw/zinc/04/04/58/995040458.db2.gz BHRBXUADYIMXCR-ACJLOTCBSA-N -1 0 342.395 3.511 20 0 EHADRM C[C@@H](Nc1ccc2c(c1)[C@@H](O)CCCC2)c1ncc(C(=O)[O-])s1 ZINC001593365933 995046404 /nfs/dbraw/zinc/04/64/04/995046404.db2.gz PBLIPBHKPOCODN-YGRLFVJLSA-N -1 0 332.425 3.774 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000327022905 1015933872 /nfs/dbraw/zinc/93/38/72/1015933872.db2.gz JEZIWACJSSIFGG-KRWDZBQOSA-N -1 0 346.471 3.540 20 0 EHADRM COC(=O)[C@@H](SCCSC(C)(C)C)c1cccc(C(=O)[O-])c1 ZINC001598710739 995345045 /nfs/dbraw/zinc/34/50/45/995345045.db2.gz GTZLKABDQZDVKR-ZDUSSCGKSA-N -1 0 342.482 3.864 20 0 EHADRM C[C@H](O)c1ncc(CNc2ccc3sc(C(=O)[O-])cc3c2)s1 ZINC001593482982 995435448 /nfs/dbraw/zinc/43/54/48/995435448.db2.gz WFHPEUDRLVUUQR-QMMMGPOBSA-N -1 0 334.422 3.721 20 0 EHADRM C[C@H](OC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)c1cc(C(=O)[O-])co1 ZINC001593499254 995491082 /nfs/dbraw/zinc/49/10/82/995491082.db2.gz JQFZBEZUPLXVBX-AXTRIDKLSA-N -1 0 336.290 3.664 20 0 EHADRM C[C@H](OC(=O)/C=C/c1ccc2[nH]ccc2c1)c1cc(C(=O)[O-])co1 ZINC001593514947 995535791 /nfs/dbraw/zinc/53/57/91/995535791.db2.gz LWXRUKISGRUCBS-TZNOJPMFSA-N -1 0 325.320 3.777 20 0 EHADRM C[C@H](OC(=O)c1cc(C(=O)[O-])co1)c1cccc(Br)c1 ZINC001593556801 995646982 /nfs/dbraw/zinc/64/69/82/995646982.db2.gz YAYKLVPDXOMGLO-QMMMGPOBSA-N -1 0 339.141 3.658 20 0 EHADRM C[C@H](OC(=O)c1cc(F)c(Cl)cc1F)c1cc(C(=O)[O-])co1 ZINC001593564650 995657784 /nfs/dbraw/zinc/65/77/84/995657784.db2.gz JZEZJSGHTKXPAF-LURJTMIESA-N -1 0 330.670 3.827 20 0 EHADRM C[C@H](OC(=O)c1ccc(C(=O)[O-])n1C)c1ccc(C(F)(F)F)cc1 ZINC001593574105 995676609 /nfs/dbraw/zinc/67/66/09/995676609.db2.gz DGUUJJXXSGVCEB-VIFPVBQESA-N -1 0 341.285 3.660 20 0 EHADRM C[C@H](OC(=O)c1ccc(C(=O)[O-])o1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC001593575777 995684667 /nfs/dbraw/zinc/68/46/67/995684667.db2.gz XOCDSIHPTPEKPP-NSHDSACASA-N -1 0 344.363 3.704 20 0 EHADRM C[C@@H](OC(=O)c1cccc(C(=O)[O-])c1)c1ccc(C(F)(F)F)cn1 ZINC001593586538 995711309 /nfs/dbraw/zinc/71/13/09/995711309.db2.gz YUXIGHRGHHPJOW-SECBINFHSA-N -1 0 339.269 3.717 20 0 EHADRM C[C@H](OC(=O)c1cnc(Cl)c(Cl)c1)c1cc(C(=O)[O-])co1 ZINC001593596936 995735425 /nfs/dbraw/zinc/73/54/25/995735425.db2.gz MTKNUWRCKYGVJA-LURJTMIESA-N -1 0 330.123 3.598 20 0 EHADRM C[C@H](OC(=O)c1occc1C(=O)[O-])C(=O)c1ccc(C(C)(C)C)cc1 ZINC001593600948 995753401 /nfs/dbraw/zinc/75/34/01/995753401.db2.gz BJOSABHBWMESEO-NSHDSACASA-N -1 0 344.363 3.704 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)C[C@@H]2CCCC[C@H]2C)cc1F)C(=O)[O-] ZINC001593624219 995884909 /nfs/dbraw/zinc/88/49/09/995884909.db2.gz HYXSUOUZAWRGRN-AGIUHOORSA-N -1 0 337.391 3.833 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)Nc1ccccc1O[C@H](C)c1ccccc1 ZINC001593652189 996016489 /nfs/dbraw/zinc/01/64/89/996016489.db2.gz XORJELUGZPDKFV-ZIAGYGMSSA-N -1 0 342.395 3.811 20 0 EHADRM COCC1(C(=O)Nc2cc(Br)cc(Cl)c2[O-])CCC1 ZINC000339941690 1015995477 /nfs/dbraw/zinc/99/54/77/1015995477.db2.gz MFQAXMZATPLCMF-UHFFFAOYSA-N -1 0 348.624 3.563 20 0 EHADRM C[C@H](Oc1ccccc1CNc1nc2cc(Cl)ccc2[nH]1)C(=O)[O-] ZINC001593652579 996018185 /nfs/dbraw/zinc/01/81/85/996018185.db2.gz YMOXGQQEEKYESA-JTQLQIEISA-N -1 0 345.786 3.680 20 0 EHADRM C[C@H](Oc1cccnc1NCc1c[nH]c(C(=O)[O-])c1)c1ccccc1 ZINC001593656365 996024869 /nfs/dbraw/zinc/02/48/69/996024869.db2.gz YUKUOMNNJZNXRR-ZDUSSCGKSA-N -1 0 337.379 3.860 20 0 EHADRM C[C@H](SCc1cccc(C(=O)[O-])c1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC001593661608 996038810 /nfs/dbraw/zinc/03/88/10/996038810.db2.gz IZVFVYKNYVAEBL-HEHGZKQESA-N -1 0 335.469 3.701 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC001593663818 996046448 /nfs/dbraw/zinc/04/64/48/996046448.db2.gz SREPFGCWOVVEKT-RHSMWYFYSA-N -1 0 349.496 3.848 20 0 EHADRM C[C@H](Sc1ccccc1-c1nnc(Cc2ccsc2)o1)C(=O)[O-] ZINC001593667829 996060530 /nfs/dbraw/zinc/06/05/30/996060530.db2.gz HZMYRIZEZHASEU-JTQLQIEISA-N -1 0 346.433 3.954 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)Nc1cc(F)ccc1F)C(=O)[O-] ZINC001593672065 996072910 /nfs/dbraw/zinc/07/29/10/996072910.db2.gz FGCOCSUEKZSHIP-VIFPVBQESA-N -1 0 337.347 3.782 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)OC[C@H]1CC1(Cl)Cl)C(=O)[O-] ZINC001593673393 996084069 /nfs/dbraw/zinc/08/40/69/996084069.db2.gz KEMXAIWGEMQBNA-DTWKUNHWSA-N -1 0 349.235 3.602 20 0 EHADRM C[C@H](c1ccc(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)cc1)C(F)(F)F ZINC001593686027 996121215 /nfs/dbraw/zinc/12/12/15/996121215.db2.gz LXQUFAWBJDZDSN-GYSYKLTISA-N -1 0 343.345 3.726 20 0 EHADRM C[C@H](c1c(F)cccc1F)N(C)C(=O)NCCCCCCC(=O)[O-] ZINC001593686404 996123187 /nfs/dbraw/zinc/12/31/87/996123187.db2.gz LFGOGDOFVWRDOQ-GFCCVEGCSA-N -1 0 342.386 3.702 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001593693264 996143826 /nfs/dbraw/zinc/14/38/26/996143826.db2.gz LNPKUAHNZFMZMA-LBPRGKRZSA-N -1 0 331.799 3.994 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1Cl)N(C)Cc1cc(C(=O)[O-])no1 ZINC001593694222 996148688 /nfs/dbraw/zinc/14/86/88/996148688.db2.gz UVIGENNPQQDURD-QMMMGPOBSA-N -1 0 329.183 3.873 20 0 EHADRM C[C@H](c1ccc(CN2CC(F)(F)C[C@@H]2C(=O)[O-])cc1)C(F)(F)F ZINC001593694698 996152124 /nfs/dbraw/zinc/15/21/24/996152124.db2.gz ZHPDRMVOGLHVLN-BXKDBHETSA-N -1 0 337.288 3.647 20 0 EHADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001593697982 996159607 /nfs/dbraw/zinc/15/96/07/996159607.db2.gz CGQMTRZHDSRLEJ-XUIVZRPNSA-N -1 0 333.771 3.864 20 0 EHADRM C[C@H](c1cccc(Cl)c1)N(C)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001593699760 996172547 /nfs/dbraw/zinc/17/25/47/996172547.db2.gz XTICDSNZBMNHRX-GFCCVEGCSA-N -1 0 346.814 3.670 20 0 EHADRM C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001593706299 996195983 /nfs/dbraw/zinc/19/59/83/996195983.db2.gz PEPLDHCLLRLRIF-XJKSGUPXSA-N -1 0 339.395 3.580 20 0 EHADRM CCc1cc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)sc1-c1ccccc1 ZINC000655540550 1016021976 /nfs/dbraw/zinc/02/19/76/1016021976.db2.gz FQLJAXUMNVZISF-IBGZPJMESA-N -1 0 343.448 3.914 20 0 EHADRM O=C([O-])CCN(CC1CC1)C(=O)CCCc1ccc2ccccc2c1 ZINC000683304415 1016025598 /nfs/dbraw/zinc/02/55/98/1016025598.db2.gz KLDNKGUGPYAXHQ-UHFFFAOYSA-N -1 0 339.435 3.876 20 0 EHADRM O=C([O-])CCN(CC1CC1)C(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000683304410 1016026004 /nfs/dbraw/zinc/02/60/04/1016026004.db2.gz KKLTVFKLIRYEGC-UHFFFAOYSA-N -1 0 343.345 3.508 20 0 EHADRM C[C@@]1(Br)C[C@@H]1CNc1cc(C(=O)[O-])cc2cccnc21 ZINC001593740797 996358220 /nfs/dbraw/zinc/35/82/20/996358220.db2.gz VSRBBQKGCQXVGR-IAQYHMDHSA-N -1 0 335.201 3.518 20 0 EHADRM C[C@@]1(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CCOc2ccccc21 ZINC001593759885 996417746 /nfs/dbraw/zinc/41/77/46/996417746.db2.gz NCLWHDDPRXBXQV-GOSISDBHSA-N -1 0 345.782 3.717 20 0 EHADRM C[C@@]1(C(F)(F)F)CCN(C(=O)Nc2cccc(CCC(=O)[O-])c2)C1 ZINC001593816134 996553463 /nfs/dbraw/zinc/55/34/63/996553463.db2.gz HSMHBKYGWSQBBF-OAHLLOKOSA-N -1 0 344.333 3.510 20 0 EHADRM CC1(C)C(c2cc(NC(=O)C=Cc3ccc(C(=O)[O-])o3)n[nH]2)C1(C)C ZINC001593837978 996596640 /nfs/dbraw/zinc/59/66/40/996596640.db2.gz OEKHMNUJNYLMTP-VURMDHGXSA-N -1 0 343.383 3.502 20 0 EHADRM CC1(C)CC(CC(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)C1 ZINC001593848969 996621221 /nfs/dbraw/zinc/62/12/21/996621221.db2.gz AYMCCBPCZKCNAJ-UHFFFAOYSA-N -1 0 344.455 3.614 20 0 EHADRM CC1(C)CC(C(=O)Nc2ncc(Cc3cccc(C(=O)[O-])c3)s2)C1 ZINC001593848818 996621244 /nfs/dbraw/zinc/62/12/44/996621244.db2.gz ZNXHUXGEPGOSPW-UHFFFAOYSA-N -1 0 344.436 3.807 20 0 EHADRM CC1(C)CC(CNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC(C)(C)C1 ZINC001593854342 996635916 /nfs/dbraw/zinc/63/59/16/996635916.db2.gz UNBVQKHDMCWXPU-UHFFFAOYSA-N -1 0 335.488 3.990 20 0 EHADRM CC1(C)C[C@@H](NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)c2ccccc21 ZINC001593856259 996641724 /nfs/dbraw/zinc/64/17/24/996641724.db2.gz AIQBNLBSNDPCCN-RHSMWYFYSA-N -1 0 344.455 3.695 20 0 EHADRM CC1(C)C[C@H](c2ccccc2)N(C(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC001593864043 996665109 /nfs/dbraw/zinc/66/51/09/996665109.db2.gz OTMGSQPPNKIEGE-GOSISDBHSA-N -1 0 337.419 3.927 20 0 EHADRM CC1(C)C[C@@H](SCc2c(Br)cccc2C(=O)[O-])CO1 ZINC001593864300 996665582 /nfs/dbraw/zinc/66/55/82/996665582.db2.gz RISJXFWABLSDOB-SECBINFHSA-N -1 0 345.258 3.948 20 0 EHADRM CC1(C)C[C@@]1(C(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC001593865736 996671990 /nfs/dbraw/zinc/67/19/90/996671990.db2.gz UNJRRHXCPOGCJW-IBGZPJMESA-N -1 0 327.355 3.830 20 0 EHADRM CC1(C)CCC(C)(C)c2cc(C(=O)N[C@@H]3CC=C(C(=O)[O-])C3)ccc21 ZINC001593874426 996690566 /nfs/dbraw/zinc/69/05/66/996690566.db2.gz SVZWEKUYGSASEW-OAHLLOKOSA-N -1 0 341.451 3.939 20 0 EHADRM CC1(C)CCC[C@@](NC(=O)c2cc(-c3cccs3)on2)(C(=O)[O-])C1 ZINC001593892617 996741962 /nfs/dbraw/zinc/74/19/62/996741962.db2.gz QFPFBUDFEKYPJI-KRWDZBQOSA-N -1 0 348.424 3.557 20 0 EHADRM CC1(C)CCC[C@@](O)(CNc2nc(Cl)c(C(=O)[O-])s2)CC1 ZINC001593896914 996755866 /nfs/dbraw/zinc/75/58/66/996755866.db2.gz FKLVUPOKVZLZOB-AWEZNQCLSA-N -1 0 332.853 3.628 20 0 EHADRM CC1(C)CCC[C@@H]1C(=O)N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001593896992 996756465 /nfs/dbraw/zinc/75/64/65/996756465.db2.gz HKUGDUKSCZWCPX-CHWSQXEVSA-N -1 0 343.345 3.774 20 0 EHADRM CC1(C)CCCN(C(=O)Nc2ccc(C(=O)[O-])cn2)c2ccccc21 ZINC001593904024 996779162 /nfs/dbraw/zinc/77/91/62/996779162.db2.gz VXHXDMVHALLEJQ-UHFFFAOYSA-N -1 0 339.395 3.890 20 0 EHADRM CC1(C)CN(C(=O)Nc2cc(C(=O)[O-])ccc2F)[C@@H]1c1cccnc1 ZINC001593934465 996900643 /nfs/dbraw/zinc/90/06/43/996900643.db2.gz KZVGTALLPOHNNO-OAHLLOKOSA-N -1 0 343.358 3.534 20 0 EHADRM CC1(C)CN(C(=O)c2cc(C(=O)[O-])ccc2Cl)[C@H]1c1ccco1 ZINC001593936856 996922759 /nfs/dbraw/zinc/92/27/59/996922759.db2.gz YYKSPHKJNUCXLZ-AWEZNQCLSA-N -1 0 333.771 3.855 20 0 EHADRM COCc1cc(NC(=O)N(C)C[C@@H](C)C(C)(C)C)cc(C(=O)[O-])c1 ZINC001599283219 996928200 /nfs/dbraw/zinc/92/82/00/996928200.db2.gz ACWMPRJIKYNYHT-GFCCVEGCSA-N -1 0 336.432 3.677 20 0 EHADRM COCc1cc(NC(=O)N(C)Cc2cccc(C)c2)cc(C(=O)[O-])c1 ZINC001599284824 996958362 /nfs/dbraw/zinc/95/83/62/996958362.db2.gz HMLQSLFCPWWORR-UHFFFAOYSA-N -1 0 342.395 3.504 20 0 EHADRM COCc1cc(NCc2cc(F)c(F)c(F)c2)cc(C(=O)[O-])c1 ZINC001599289490 997039617 /nfs/dbraw/zinc/03/96/17/997039617.db2.gz GOIGULIMTHBNGL-UHFFFAOYSA-N -1 0 325.286 3.561 20 0 EHADRM COc1cc(C)cc(CNC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c1 ZINC001599392653 997067338 /nfs/dbraw/zinc/06/73/38/997067338.db2.gz QOILKMXVESOYAM-ZDUSSCGKSA-N -1 0 342.395 3.513 20 0 EHADRM COc1cc(C)c(NC(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1C ZINC001599393264 997077487 /nfs/dbraw/zinc/07/74/87/997077487.db2.gz LICNBPQQWCYDIS-CYBMUJFWSA-N -1 0 348.424 3.711 20 0 EHADRM COc1ccc(C(=O)[O-])cc1CSc1nc2ncccc2s1 ZINC001599500101 997101888 /nfs/dbraw/zinc/10/18/88/997101888.db2.gz ULOPYKFVKMIERW-UHFFFAOYSA-N -1 0 332.406 3.690 20 0 EHADRM COCc1ccc(N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@H]23)cc1C(F)(F)F ZINC001599294620 997117770 /nfs/dbraw/zinc/11/77/70/997117770.db2.gz GNZFTUIKIYREFC-TZQJONAQSA-N -1 0 343.345 3.763 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001599396033 997127842 /nfs/dbraw/zinc/12/78/42/997127842.db2.gz GUHVFGABBFQPHR-VQVOLHRSSA-N -1 0 338.359 3.502 20 0 EHADRM COc1ccc([C@@H](C)COc2cc(/C=C/C(=O)[O-])ccc2OC)cc1 ZINC001599507023 997228131 /nfs/dbraw/zinc/22/81/31/997228131.db2.gz GTQOBPDSQAFLJV-GJIAFCOMSA-N -1 0 342.391 3.984 20 0 EHADRM COc1ccc([C@H](C)N(C)C(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC001599507297 997232329 /nfs/dbraw/zinc/23/23/29/997232329.db2.gz LLKDTGRXVAAAMM-ZDUSSCGKSA-N -1 0 342.395 3.927 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)cc1 ZINC001599507371 997234265 /nfs/dbraw/zinc/23/42/65/997234265.db2.gz XSHWQPNXDSGTNE-JTQLQIEISA-N -1 0 349.333 3.804 20 0 EHADRM COc1ccc([C@@H](C)SCC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001599508072 997246451 /nfs/dbraw/zinc/24/64/51/997246451.db2.gz KIZLCAITCNWXBO-GFCCVEGCSA-N -1 0 345.420 3.826 20 0 EHADRM COc1cc(CNC(=O)/C=C/C2CCCCCC2)ccc1C(=O)[O-] ZINC001599408891 997383207 /nfs/dbraw/zinc/38/32/07/997383207.db2.gz IVUUASPMCXJKGW-PKNBQFBNSA-N -1 0 331.412 3.536 20 0 EHADRM C[C@]1(CCNC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C[C@]1(F)Cl ZINC001594007126 997420655 /nfs/dbraw/zinc/42/06/55/997420655.db2.gz HMNKCXRBGLYQBW-UONOGXRCSA-N -1 0 349.189 3.864 20 0 EHADRM CO[C@H]1CCC[C@@H](C(=O)Nc2c(C(=O)[O-])ccc3ccccc32)C1 ZINC001599104734 997454205 /nfs/dbraw/zinc/45/42/05/997454205.db2.gz XSGVNPIUBKIWRM-KGLIPLIRSA-N -1 0 327.380 3.682 20 0 EHADRM C[C@@]1(CNC(=O)Nc2cccc3cc(C(=O)[O-])sc32)CCCCO1 ZINC001594021322 997540024 /nfs/dbraw/zinc/54/00/24/997540024.db2.gz GHSONULJUTXDKU-KRWDZBQOSA-N -1 0 348.424 3.680 20 0 EHADRM COc1cc(Cl)c(CNc2ccc(C)c(C(=O)[O-])c2)cc1OC ZINC001599418954 997560257 /nfs/dbraw/zinc/56/02/57/997560257.db2.gz ROGVQEBPQTUUQP-UHFFFAOYSA-N -1 0 335.787 3.976 20 0 EHADRM COc1cc(Cl)c(NC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)cc1C ZINC001599420129 997579706 /nfs/dbraw/zinc/57/97/06/997579706.db2.gz YVXHARPBUCODLD-UHFFFAOYSA-N -1 0 336.775 3.552 20 0 EHADRM COc1cc(Cl)ccc1COc1cnc(Cl)cc1C(=O)[O-] ZINC001599420433 997585667 /nfs/dbraw/zinc/58/56/67/997585667.db2.gz FLTJEKQMELDHCO-UHFFFAOYSA-N -1 0 328.151 3.674 20 0 EHADRM C[C@@]1(Cc2ccccc2F)CCCN1C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001594041574 997663441 /nfs/dbraw/zinc/66/34/41/997663441.db2.gz NUZHBECZJQXDTG-AVYPCKFXSA-N -1 0 347.430 3.640 20 0 EHADRM C[C@]1(Cc2ccccc2F)CCCN1C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001594041575 997664000 /nfs/dbraw/zinc/66/40/00/997664000.db2.gz NUZHBECZJQXDTG-STXHMFSFSA-N -1 0 347.430 3.640 20 0 EHADRM C[C@]1(Cc2ccc(F)cc2)CCCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC001594041647 997665303 /nfs/dbraw/zinc/66/53/03/997665303.db2.gz QBQDWJDMLRDIMZ-GOSISDBHSA-N -1 0 347.411 3.823 20 0 EHADRM COc1cc(F)cc(NC(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC001599426149 997678641 /nfs/dbraw/zinc/67/86/41/997678641.db2.gz ZEIXWGJTYKOBDP-LLVKDONJSA-N -1 0 346.358 3.742 20 0 EHADRM CO[C@@H]1CCN(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])CC1(C)C ZINC001599117501 997680092 /nfs/dbraw/zinc/68/00/92/997680092.db2.gz HXOMDMDARZFHOW-MRXNPFEDSA-N -1 0 348.443 3.787 20 0 EHADRM COCCCC[C@H](NC(=O)c1cc(C(=O)[O-])oc1C)c1ccccc1 ZINC001599223987 997723577 /nfs/dbraw/zinc/72/35/77/997723577.db2.gz MKZVYIIOAHSZSS-INIZCTEOSA-N -1 0 345.395 3.574 20 0 EHADRM COCCCCC(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C1CC1 ZINC001599224140 997725894 /nfs/dbraw/zinc/72/58/94/997725894.db2.gz QWBUPRAADKJCLM-UHFFFAOYSA-N -1 0 345.395 3.705 20 0 EHADRM C[C@@]1(NC(=O)C2(Cc3ccc(Cl)cc3)CC2)CCCC[C@@H]1C(=O)[O-] ZINC001594052070 997751850 /nfs/dbraw/zinc/75/18/50/997751850.db2.gz LJUIABIQSZBRQT-CRAIPNDOSA-N -1 0 349.858 3.812 20 0 EHADRM COc1cc(NC(=O)CCSCc2ccccc2)ccc1C(=O)[O-] ZINC001599432722 997787830 /nfs/dbraw/zinc/78/78/30/997787830.db2.gz KWUDSDZHBULHBX-UHFFFAOYSA-N -1 0 345.420 3.655 20 0 EHADRM COC(=O)c1cc(CNc2ccc(C)c(Cl)c2)cc(C(=O)[O-])c1 ZINC001598933843 997823870 /nfs/dbraw/zinc/82/38/70/997823870.db2.gz VQWCINSKBKZYDI-UHFFFAOYSA-N -1 0 333.771 3.745 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)C[C@@H]1CCCC[C@H]1C ZINC001599541385 997848842 /nfs/dbraw/zinc/84/88/42/997848842.db2.gz CNSMBTYYCZKETF-PNTFSDHLSA-N -1 0 332.396 3.915 20 0 EHADRM COc1c(NC(=O)C/C=C\Cc2ccccc2)cccc1C(=O)[O-] ZINC001599337556 997864232 /nfs/dbraw/zinc/86/42/32/997864232.db2.gz PWLSEPWTSSDPPM-WAYWQWQTSA-N -1 0 325.364 3.521 20 0 EHADRM COc1c(NC(=O)N(C)Cc2ccc(Cl)cc2)cccc1C(=O)[O-] ZINC001599338513 997881807 /nfs/dbraw/zinc/88/18/07/997881807.db2.gz OFHZVENVPHEWOA-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM COc1c(NC(=O)N(C)[C@H](C)C2CCCCC2)cccc1C(=O)[O-] ZINC001599338880 997886461 /nfs/dbraw/zinc/88/64/61/997886461.db2.gz YXRXDMOHOCHBMR-GFCCVEGCSA-N -1 0 334.416 3.826 20 0 EHADRM COc1ccc(/C=C/C(=O)Oc2ccc(C(=O)[O-])cc2Cl)cc1 ZINC001599544803 997905348 /nfs/dbraw/zinc/90/53/48/997905348.db2.gz ZGXWFFQNNBLVKD-RUDMXATFSA-N -1 0 332.739 3.666 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)[C@H]1CCCCC1(C)C ZINC001599545306 997912580 /nfs/dbraw/zinc/91/25/80/997912580.db2.gz XSEYQYOOJNHVPZ-QSYFUGGGSA-N -1 0 332.396 3.915 20 0 EHADRM COc1c(NC(=O)NC2CCC(C3CCC3)CC2)cccc1C(=O)[O-] ZINC001599342000 997936772 /nfs/dbraw/zinc/93/67/72/997936772.db2.gz WNTMPOQPNVGYRK-UHFFFAOYSA-N -1 0 346.427 3.874 20 0 EHADRM COc1cc(NC(=O)c2cccc(OC(C)(C)C)c2)ccc1C(=O)[O-] ZINC001599441782 997940924 /nfs/dbraw/zinc/94/09/24/997940924.db2.gz GFQJUNSBMFVDSG-UHFFFAOYSA-N -1 0 343.379 3.823 20 0 EHADRM COc1cc(NC(=O)c2cccc(C(C)(C)C)c2)ccc1C(=O)[O-] ZINC001599442061 997945401 /nfs/dbraw/zinc/94/54/01/997945401.db2.gz ZUBUPVYCPIGLIP-UHFFFAOYSA-N -1 0 327.380 3.943 20 0 EHADRM COc1c(N[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)ncnc1C(=O)[O-] ZINC001599342742 997948895 /nfs/dbraw/zinc/94/88/95/997948895.db2.gz FROHUZBKWGYILW-YPMHNXCESA-N -1 0 347.802 3.585 20 0 EHADRM COc1ccc(CC(=O)Nc2ccc(Cl)cc2C(=O)[O-])c(C)c1 ZINC001599548733 997968706 /nfs/dbraw/zinc/96/87/06/997968706.db2.gz PPMZANKRACAOSQ-UHFFFAOYSA-N -1 0 333.771 3.536 20 0 EHADRM COc1cc(N[C@H](C)c2cncc(C(=O)[O-])c2)ccc1OC(C)C ZINC001599443915 997975566 /nfs/dbraw/zinc/97/55/66/997975566.db2.gz ZWNRFGQXYLFUDS-GFCCVEGCSA-N -1 0 330.384 3.749 20 0 EHADRM COC(=O)c1cc(NCc2ccsc2C(=O)[O-])ccc1SC ZINC001598948309 998097807 /nfs/dbraw/zinc/09/78/07/998097807.db2.gz NWLDIXYGRSWLEP-UHFFFAOYSA-N -1 0 337.422 3.567 20 0 EHADRM COC(=O)c1cc(OC(=O)CCCCC(C)(C)C)cc(C(=O)[O-])c1 ZINC001598949859 998128771 /nfs/dbraw/zinc/12/87/71/998128771.db2.gz HDHFYUOWLYWHIN-UHFFFAOYSA-N -1 0 336.384 3.683 20 0 EHADRM CC1=C(C)C[C@@H](C(=O)N2CCC(c3ncc(C(=O)[O-])s3)CC2)CC1 ZINC001594108256 998176635 /nfs/dbraw/zinc/17/66/35/998176635.db2.gz FTHMLAXWPYMDNN-AWEZNQCLSA-N -1 0 348.468 3.684 20 0 EHADRM COc1cc(C(=O)Nc2sccc2C(=O)[O-])cc(OC)c1C(C)C ZINC001599356942 998194887 /nfs/dbraw/zinc/19/48/87/998194887.db2.gz XEEUJGWWLROBJS-UHFFFAOYSA-N -1 0 349.408 3.839 20 0 EHADRM COc1cc(OCc2cscc2Br)ccc1C(=O)[O-] ZINC001599456984 998204525 /nfs/dbraw/zinc/20/45/25/998204525.db2.gz RIVGBBODSAQEMI-UHFFFAOYSA-N -1 0 343.198 3.796 20 0 EHADRM COc1cc(OCC(F)(F)c2ccc(F)cc2)ccc1C(=O)[O-] ZINC001599457083 998205647 /nfs/dbraw/zinc/20/56/47/998205647.db2.gz VJGKVGHYVSKRLZ-UHFFFAOYSA-N -1 0 326.270 3.703 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)C2CC(C)(C)CC(C)(C)C2)c1O ZINC001599358887 998226732 /nfs/dbraw/zinc/22/67/32/998226732.db2.gz SPVLHUUMQZKQFS-UHFFFAOYSA-N -1 0 349.427 3.890 20 0 EHADRM COCCOCc1cccc(N[C@H](C(=O)[O-])c2ccc(Cl)cc2)c1 ZINC001599252720 998260012 /nfs/dbraw/zinc/26/00/12/998260012.db2.gz MGJJCCUBKISBQQ-KRWDZBQOSA-N -1 0 349.814 3.741 20 0 EHADRM C[C@H]1C(=O)CC[C@H](C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C1(C)C ZINC001594121346 998278532 /nfs/dbraw/zinc/27/85/32/998278532.db2.gz FQSCWPMAPABJKO-SWLSCSKDSA-N -1 0 345.439 3.629 20 0 EHADRM COc1ccc(CNC(=O)N(C)[C@@H](C)C2CCCCC2)cc1C(=O)[O-] ZINC001599566379 998292575 /nfs/dbraw/zinc/29/25/75/998292575.db2.gz UVVNOJCBJFFKSC-ZDUSSCGKSA-N -1 0 348.443 3.504 20 0 EHADRM COc1cc(C(=O)[O-])ccc1CCNc1nc2cccc(C)c2s1 ZINC001599366582 998343241 /nfs/dbraw/zinc/34/32/41/998343241.db2.gz BNSCFNQVKACCSS-UHFFFAOYSA-N -1 0 342.420 3.966 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)CCCc1cc(F)ccc1F ZINC001599370164 998396852 /nfs/dbraw/zinc/39/68/52/998396852.db2.gz SKCRAVAESGBYMB-UHFFFAOYSA-N -1 0 349.333 3.633 20 0 EHADRM COc1ccc(CNc2ccc(OCC(=O)[O-])cc2C)cc1Cl ZINC001599573468 998404062 /nfs/dbraw/zinc/40/40/62/998404062.db2.gz AEWCHXBMDCPBTM-UHFFFAOYSA-N -1 0 335.787 3.733 20 0 EHADRM COC[C@@H](CC(C)(C)C)NC(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC001599159881 998439887 /nfs/dbraw/zinc/43/98/87/998439887.db2.gz JLRKDAUBARUVSO-CYBMUJFWSA-N -1 0 336.432 3.574 20 0 EHADRM COCCSc1ccc([C@H](C)Nc2ccc(C(=O)[O-])c(C)n2)cc1 ZINC001599264682 998447383 /nfs/dbraw/zinc/44/73/83/998447383.db2.gz ISMFIQZBUVMQJH-LBPRGKRZSA-N -1 0 346.452 4.000 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NCc1cc(Cl)cc(Cl)c1N ZINC001599375278 998474782 /nfs/dbraw/zinc/47/47/82/998474782.db2.gz RHRRXMLYDHPTDL-UHFFFAOYSA-N -1 0 341.194 3.895 20 0 EHADRM COc1cc(C(=O)[O-])ccc1N[C@H]1CCC[C@@H](c2cccnc2)C1 ZINC001599375543 998479312 /nfs/dbraw/zinc/47/93/12/998479312.db2.gz NUZZXGJOSTXDPS-CJNGLKHVSA-N -1 0 326.396 3.927 20 0 EHADRM COc1cc(C(=O)[O-])ccc1N[C@@H]1CCC[C@H](c2cccnc2)C1 ZINC001599375545 998479350 /nfs/dbraw/zinc/47/93/50/998479350.db2.gz NUZZXGJOSTXDPS-XJKSGUPXSA-N -1 0 326.396 3.927 20 0 EHADRM COCCn1c2ccccc2nc1S[C@H](C(=O)[O-])c1ccccc1 ZINC001599268494 998509535 /nfs/dbraw/zinc/50/95/35/998509535.db2.gz QNKJDHYIJRDRMS-INIZCTEOSA-N -1 0 342.420 3.601 20 0 EHADRM COc1ccc(Cl)cc1C(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC001599580514 998521403 /nfs/dbraw/zinc/52/14/03/998521403.db2.gz XGQXODCYNFYYPT-UHFFFAOYSA-N -1 0 341.146 3.919 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC001594157422 998576328 /nfs/dbraw/zinc/57/63/28/998576328.db2.gz TVCUTENLYUXLJZ-KCJUWKMLSA-N -1 0 348.346 3.625 20 0 EHADRM COC(=O)c1ccc(CNc2cc(C(=O)[O-])c(C)cc2C)c(F)c1 ZINC001598975488 998595241 /nfs/dbraw/zinc/59/52/41/998595241.db2.gz IUPWYOCQOTVUQB-UHFFFAOYSA-N -1 0 331.343 3.539 20 0 EHADRM COC[C@H](N[C@H](C)c1ncc(C(=O)[O-])s1)c1ccc(Cl)cc1 ZINC001599172347 998624961 /nfs/dbraw/zinc/62/49/61/998624961.db2.gz CSADJBCVYXQQHX-SKDRFNHKSA-N -1 0 340.832 3.533 20 0 EHADRM C[C@@]1(NC(=O)c2ccc(OC3CCCC3)cc2)CCCC[C@@H]1C(=O)[O-] ZINC000683333469 1016237164 /nfs/dbraw/zinc/23/71/64/1016237164.db2.gz UIILNJDPFGNZKE-YLJYHZDGSA-N -1 0 345.439 3.771 20 0 EHADRM C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC001594172866 998663763 /nfs/dbraw/zinc/66/37/63/998663763.db2.gz IILVXFSSIOWSGF-GZMMTYOYSA-N -1 0 348.296 3.719 20 0 EHADRM C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1Nc1ccc(OCC(F)(F)F)cc1 ZINC001594184282 998714669 /nfs/dbraw/zinc/71/46/69/998714669.db2.gz IJMWTVMRIXFKBP-SUNKGSAMSA-N -1 0 331.334 3.929 20 0 EHADRM COC(=O)c1cccc([C@@H](Sc2nc3ccccc3o2)C(=O)[O-])c1 ZINC001598993743 998760281 /nfs/dbraw/zinc/76/02/81/998760281.db2.gz YTYPSTDQYWHQIG-CQSZACIVSA-N -1 0 343.360 3.532 20 0 EHADRM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1C(=O)c1cc2cccc(Cl)c2o1 ZINC001594206851 998795479 /nfs/dbraw/zinc/79/54/79/998795479.db2.gz SPCOQKFJASNGKV-UWVGGRQHSA-N -1 0 335.787 3.800 20 0 EHADRM C[C@H](NC(=O)[C@H]1C[C@H](C)C[C@H](C)C1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001594219049 998840934 /nfs/dbraw/zinc/84/09/34/998840934.db2.gz BQZVVZGRPPHMCS-BBZRVKOSSA-N -1 0 331.456 3.507 20 0 EHADRM C[C@@H]1C[C@@H](CC(=O)N[C@@](C)(CC(=O)[O-])c2ccccn2)CC(C)(C)C1 ZINC001594232690 998887263 /nfs/dbraw/zinc/88/72/63/998887263.db2.gz PLTNEMDCDZUOPO-SIFCLUCFSA-N -1 0 346.471 3.740 20 0 EHADRM C[C@H]1CC(F)(F)CCN1C(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC001594245397 998937978 /nfs/dbraw/zinc/93/79/78/998937978.db2.gz KSTDIDKDVKTFMF-QMMMGPOBSA-N -1 0 332.734 3.690 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)CCS1 ZINC001594257785 998991956 /nfs/dbraw/zinc/99/19/56/998991956.db2.gz JVKPMLXCMGIYPF-SFYZADRCSA-N -1 0 346.811 3.583 20 0 EHADRM CO[C@H](C(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21)C1CCCCC1 ZINC001599029040 999037134 /nfs/dbraw/zinc/03/71/34/999037134.db2.gz IDUROMPCENSHER-MSOLQXFVSA-N -1 0 346.423 3.901 20 0 EHADRM CC(C)CCn1ccc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2)n1 ZINC000650188791 1016274512 /nfs/dbraw/zinc/27/45/12/1016274512.db2.gz FBWBBIUGWFQFQY-UHFFFAOYSA-N -1 0 345.827 3.523 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2ccc(C(=O)[O-])nc2)C1 ZINC001594270607 999045836 /nfs/dbraw/zinc/04/58/36/999045836.db2.gz XETGSCVJBKDQQR-ZBEGNZNMSA-N -1 0 343.358 3.534 20 0 EHADRM CO[C@@H](C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1)C1CCCCC1 ZINC001599030650 999048277 /nfs/dbraw/zinc/04/82/77/999048277.db2.gz CHUBYVMEYHROJJ-CQSZACIVSA-N -1 0 326.776 3.539 20 0 EHADRM COc1cccc(S(=O)(=O)[N-]c2cnccc2-c2ccccc2)c1 ZINC000683343892 1016279877 /nfs/dbraw/zinc/27/98/77/1016279877.db2.gz AXLVWPWFBIEGQW-UHFFFAOYSA-N -1 0 340.404 3.558 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)C1 ZINC001594291022 999121237 /nfs/dbraw/zinc/12/12/37/999121237.db2.gz CFBMLLYYXFAWNM-PBHICJAKSA-N -1 0 329.440 3.602 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C[C@H]1C ZINC001594295183 999135453 /nfs/dbraw/zinc/13/54/53/999135453.db2.gz FBXXBIQNDINWBI-RBSFLKMASA-N -1 0 344.455 3.996 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C[C@H]1C ZINC001594296557 999142757 /nfs/dbraw/zinc/14/27/57/999142757.db2.gz OEZJEKHPTWECER-MXWKQRLJSA-N -1 0 341.354 3.997 20 0 EHADRM C[C@@H]1CCC(C)(C)N1C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001594296986 999144903 /nfs/dbraw/zinc/14/49/03/999144903.db2.gz ZKVAOLNALBKKKL-LLVKDONJSA-N -1 0 327.384 3.728 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)O[C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC001594297587 999148097 /nfs/dbraw/zinc/14/80/97/999148097.db2.gz YHEYEASHNVHTNJ-GIPNMCIBSA-N -1 0 330.302 3.811 20 0 EHADRM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001594297968 999149755 /nfs/dbraw/zinc/14/97/55/999149755.db2.gz CZVVMFKMHWHCDL-YNQUZJHLSA-N -1 0 347.377 3.601 20 0 EHADRM CC(C)Oc1c(NC(=O)N2C[C@H](C)CC[C@H]2C)cccc1C(=O)[O-] ZINC001594299680 999156995 /nfs/dbraw/zinc/15/69/95/999156995.db2.gz FWBNJOIMUCXCME-CHWSQXEVSA-N -1 0 334.416 3.824 20 0 EHADRM C[C@H]1CCC(F)(F)CN1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001594307041 999185844 /nfs/dbraw/zinc/18/58/44/999185844.db2.gz PGKCGEZQFIQUDK-QMMMGPOBSA-N -1 0 332.734 3.690 20 0 EHADRM CO[C@@H](CS[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C)CC(C)C ZINC001599058643 999248926 /nfs/dbraw/zinc/24/89/26/999248926.db2.gz JNXDFOXPXFREJE-QWHCGFSZSA-N -1 0 341.473 3.695 20 0 EHADRM CO[C@@H](Cc1ccccc1)C(=O)Nc1c(C(=O)[O-])ccc2ccccc21 ZINC001599059308 999253712 /nfs/dbraw/zinc/25/37/12/999253712.db2.gz RHJNCOAXNQNNDB-SFHVURJKSA-N -1 0 349.386 3.734 20 0 EHADRM CO[C@@H](CS[C@H](Cc1ccc(C)cc1)C(=O)[O-])Cc1ccccc1 ZINC001599060901 999264492 /nfs/dbraw/zinc/26/44/92/999264492.db2.gz XPHCLLFBEXBNRV-RTBURBONSA-N -1 0 344.476 3.982 20 0 EHADRM C[C@H]1CC[C@H](c2ccccc2)N(C(=O)Nc2cc(C(=O)[O-])ccn2)C1 ZINC001594330442 999270415 /nfs/dbraw/zinc/27/04/15/999270415.db2.gz PPXJXCRDRKCKRE-XJKSGUPXSA-N -1 0 339.395 3.785 20 0 EHADRM C[C@@H]1CCC[C@@H](C2CN(C(=O)Nc3cc(C(=O)[O-])ccc3F)C2)C1 ZINC001594344414 999302595 /nfs/dbraw/zinc/30/25/95/999302595.db2.gz CXFLJXKRHKDBDS-VXGBXAGGSA-N -1 0 334.391 3.814 20 0 EHADRM C[C@@H]1CCC[C@H]1CC(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001594358147 999354837 /nfs/dbraw/zinc/35/48/37/999354837.db2.gz VIGGKMFOAUGKTI-UVBSCNOISA-N -1 0 337.847 3.668 20 0 EHADRM C[C@@H]1CCC[C@@H]1CC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001594359814 999360540 /nfs/dbraw/zinc/36/05/40/999360540.db2.gz OJSKQKVWJHDLAV-NXEZZACHSA-N -1 0 340.217 3.912 20 0 EHADRM C[C@@H]1CCCC[C@H]1CCNC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001594363319 999371248 /nfs/dbraw/zinc/37/12/48/999371248.db2.gz CUEPABIFWIYFLC-OLZOCXBDSA-N -1 0 336.407 3.540 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CCNC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001594364245 999376246 /nfs/dbraw/zinc/37/62/46/999376246.db2.gz XBLVVWCVEMBUEU-YVTWGWGSSA-N -1 0 329.440 3.578 20 0 EHADRM C[C@@H]1CCCN(CC(=O)Nc2ccccc2C(=O)[O-])c2ccccc21 ZINC001594383607 999449447 /nfs/dbraw/zinc/44/94/47/999449447.db2.gz OSVCFTMWBPTAMC-CQSZACIVSA-N -1 0 338.407 3.727 20 0 EHADRM C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)[C@@H](C(=O)[O-])C1 ZINC001594396111 999492160 /nfs/dbraw/zinc/49/21/60/999492160.db2.gz UUPVKWLBTHNALR-BYNBJNPRSA-N -1 0 337.419 3.655 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])CCS1 ZINC001594406428 999522014 /nfs/dbraw/zinc/52/20/14/999522014.db2.gz XTYCAULVJJWYRT-SECBINFHSA-N -1 0 340.470 3.683 20 0 EHADRM C[C@@H]1CCc2c(sc3ncnc(N[C@H](C(=O)[O-])C(C)(C)C)c32)C1 ZINC001594445202 999636586 /nfs/dbraw/zinc/63/65/86/999636586.db2.gz GOHVSKQOOPBXQX-NOZJJQNGSA-N -1 0 333.457 3.727 20 0 EHADRM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001594448712 999645146 /nfs/dbraw/zinc/64/51/46/999645146.db2.gz VZPWWSOPIHHBRQ-ZMZPIMSZSA-N -1 0 349.390 3.566 20 0 EHADRM Cc1c(C(=O)N=c2nc(-c3ccsc3)[n-]s2)ccn1C(C)C ZINC000340123281 1016363104 /nfs/dbraw/zinc/36/31/04/1016363104.db2.gz QLZYSAVOSMVZIX-UHFFFAOYSA-N -1 0 332.454 3.632 20 0 EHADRM C[C@H](NC(=O)c1ccc(C2CCC2)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655576765 1016397984 /nfs/dbraw/zinc/39/79/84/1016397984.db2.gz TZZXTIKTBDYABV-AFAVFJNCSA-N -1 0 329.440 3.819 20 0 EHADRM C[C@@H](NC(=O)C[C@H]1CCCc2ccccc21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655580328 1016441189 /nfs/dbraw/zinc/44/11/89/1016441189.db2.gz LMOLVSXMVDRYJI-LFVTVUPYSA-N -1 0 343.467 3.748 20 0 EHADRM O=S(=O)([N-]C1(C(F)(F)F)CCCCC1)c1cccc(F)c1F ZINC000510222672 1016500275 /nfs/dbraw/zinc/50/02/75/1016500275.db2.gz MGDAKAFRWQVDRL-UHFFFAOYSA-N -1 0 343.317 3.508 20 0 EHADRM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000659420596 1016679144 /nfs/dbraw/zinc/67/91/44/1016679144.db2.gz RAUHBDZQLPNARN-HNNXBMFYSA-N -1 0 344.455 3.814 20 0 EHADRM CCC(CC)[C@@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1cccs1 ZINC000236680365 1016701890 /nfs/dbraw/zinc/70/18/90/1016701890.db2.gz PMXSYEZFYRWCMZ-OAHLLOKOSA-N -1 0 332.425 3.749 20 0 EHADRM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1cc(C(C)C)on1 ZINC000349181683 1016709571 /nfs/dbraw/zinc/70/95/71/1016709571.db2.gz SIVGBZGUKFCDIC-UHFFFAOYSA-N -1 0 338.360 3.793 20 0 EHADRM COc1ccc(OC)c([C@H](C)NC(=O)c2c(O)cccc2Cl)c1 ZINC000143430619 1016827123 /nfs/dbraw/zinc/82/71/23/1016827123.db2.gz RWGKAANFGYYGKC-JTQLQIEISA-N -1 0 335.787 3.554 20 0 EHADRM CC(C(=O)N(Cc1ccccc1)C(C)C)=S([O-])c1cccs1 ZINC000179016613 1016840277 /nfs/dbraw/zinc/84/02/77/1016840277.db2.gz XNMGLUHQZGMWSH-RCDICMHDSA-N -1 0 335.494 3.681 20 0 EHADRM O=S(=O)([N-]c1cccc2c[nH]nc21)c1cc(Cl)cc(Cl)c1 ZINC000025463862 1016843864 /nfs/dbraw/zinc/84/38/64/1016843864.db2.gz DNGJHEBFLRCYFQ-UHFFFAOYSA-N -1 0 342.207 3.671 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(F)c([O-])c(F)c2)CC[C@H]1c1ccccc1 ZINC000180072037 1016884608 /nfs/dbraw/zinc/88/46/08/1016884608.db2.gz HLOAHTZEKXINBO-SWLSCSKDSA-N -1 0 331.362 3.936 20 0 EHADRM C[C@@H](NC(=O)c1ccc(O)cc1F)c1ccc(OC(F)F)cc1 ZINC000181107210 1016917540 /nfs/dbraw/zinc/91/75/40/1016917540.db2.gz BXTHLBASHZRQPL-SECBINFHSA-N -1 0 325.286 3.624 20 0 EHADRM CC(C)COc1ccc(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655584118 1016941800 /nfs/dbraw/zinc/94/18/00/1016941800.db2.gz GOAHUAGNPOYBCP-XOKHGSTOSA-N -1 0 347.455 3.587 20 0 EHADRM Cc1c2ccccc2oc1C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655583682 1016967958 /nfs/dbraw/zinc/96/79/58/1016967958.db2.gz NSLQLVXSCBAQQW-KWCYVHTRSA-N -1 0 329.396 3.606 20 0 EHADRM C[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655584883 1016994039 /nfs/dbraw/zinc/99/40/39/1016994039.db2.gz OOSHSICDDKFVKA-AQUOVQTQSA-N -1 0 344.238 3.859 20 0 EHADRM C[C@@H](NC(=O)N(C)CCCC(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000414602613 1016994646 /nfs/dbraw/zinc/99/46/46/1016994646.db2.gz TZSZREZZTDFYHX-OAHLLOKOSA-N -1 0 340.423 3.921 20 0 EHADRM O=C([O-])CCCCCNC(=O)N[C@H](CC(F)(F)F)c1ccccc1 ZINC000414605098 1017006188 /nfs/dbraw/zinc/00/61/88/1017006188.db2.gz BRWVJKWKPZGMGU-CYBMUJFWSA-N -1 0 346.349 3.624 20 0 EHADRM COc1cccc(CN2CC[C@@H](C(=O)[O-])c3ccccc32)c1Cl ZINC000659791846 1017021001 /nfs/dbraw/zinc/02/10/01/1017021001.db2.gz MNJBJTKPDVKQJF-CQSZACIVSA-N -1 0 331.799 3.927 20 0 EHADRM COc1cccc(CN2CC[C@H](C(=O)[O-])c3ccccc32)c1Cl ZINC000659791845 1017022961 /nfs/dbraw/zinc/02/29/61/1017022961.db2.gz MNJBJTKPDVKQJF-AWEZNQCLSA-N -1 0 331.799 3.927 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)CCCCC(=O)[O-])cc1F ZINC000655586975 1017032567 /nfs/dbraw/zinc/03/25/67/1017032567.db2.gz ITEISVSPHFDIPA-UHFFFAOYSA-N -1 0 325.380 3.834 20 0 EHADRM c1ccc([C@@H]2CCC[C@H]2N=c2[n-]nc(C3CCOCC3)s2)cc1 ZINC000549122376 1017053958 /nfs/dbraw/zinc/05/39/58/1017053958.db2.gz IBGXMMNOAZIIIP-JKSUJKDBSA-N -1 0 329.469 3.602 20 0 EHADRM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)NCCCCCC(=O)[O-])cc1 ZINC000414617078 1017061752 /nfs/dbraw/zinc/06/17/52/1017061752.db2.gz XWSNPHXIJLYLFG-ZWKOTPCHSA-N -1 0 346.471 3.918 20 0 EHADRM O=C(NCc1ccc(C(F)(F)F)cc1)c1cc(F)c(F)c([O-])c1F ZINC000183334445 1032161851 /nfs/dbraw/zinc/16/18/51/1032161851.db2.gz RDVVRFUTQNHEOX-UHFFFAOYSA-N -1 0 349.230 3.758 20 0 EHADRM O=C([O-])c1coc(C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)c1 ZINC000183753690 1032202658 /nfs/dbraw/zinc/20/26/58/1032202658.db2.gz KEYYBFGHTNLEDL-UHFFFAOYSA-N -1 0 347.330 3.569 20 0 EHADRM CC(C)Sc1ccc([C@H](C)NC(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000183784703 1032205519 /nfs/dbraw/zinc/20/55/19/1032205519.db2.gz FKSKQJBFBQTJQS-NSHDSACASA-N -1 0 333.409 3.969 20 0 EHADRM Cc1cc(-c2noc([C@H]3CNc4ccccc43)n2)cc(C)c1CC(=O)[O-] ZINC000904741451 1032224473 /nfs/dbraw/zinc/22/44/73/1032224473.db2.gz KQXSHZPXRRAJGS-INIZCTEOSA-N -1 0 349.390 3.538 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)c1cccc(-c2cscn2)c1)C(=O)[O-] ZINC000449139299 1032242861 /nfs/dbraw/zinc/24/28/61/1032242861.db2.gz AJQSFBPUMWCYMH-CQSZACIVSA-N -1 0 346.452 3.819 20 0 EHADRM Cc1ccnc(Cl)c1Nc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC001213179185 1032257755 /nfs/dbraw/zinc/25/77/55/1032257755.db2.gz BTZZHIGDNRTUSP-UHFFFAOYSA-N -1 0 333.775 3.590 20 0 EHADRM CCC[C@H](NC(=O)NCCC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000414623386 1017074041 /nfs/dbraw/zinc/07/40/41/1017074041.db2.gz XBHZAUNEKLSOBY-LBPRGKRZSA-N -1 0 333.215 3.609 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccn(CCC(C)C)n2)c1Cl ZINC000538299202 1032278427 /nfs/dbraw/zinc/27/84/27/1032278427.db2.gz WELQHYGINWNIAQ-UHFFFAOYSA-N -1 0 341.864 3.692 20 0 EHADRM O=C(Nc1cnn(-c2ccccc2F)c1)c1cc(F)c([O-])c(Cl)c1 ZINC000184491182 1032304951 /nfs/dbraw/zinc/30/49/51/1032304951.db2.gz SCNOPBGLJVCHJF-UHFFFAOYSA-N -1 0 349.724 3.762 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2nc3c(s2)CCCC3)c1Cl ZINC000538365286 1032310842 /nfs/dbraw/zinc/31/08/42/1032310842.db2.gz VMRACPKSWHXWMR-UHFFFAOYSA-N -1 0 342.873 3.785 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000905123573 1032351902 /nfs/dbraw/zinc/35/19/02/1032351902.db2.gz GURKZQGLKWFMJE-HUMVNOLHSA-N -1 0 329.440 3.671 20 0 EHADRM CC(C)(/C=C/Cl)NC(=O)C[C@](C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000905140386 1032359934 /nfs/dbraw/zinc/35/99/34/1032359934.db2.gz ZFUBEBRDSOINAJ-FDMDGMSGSA-N -1 0 344.238 3.720 20 0 EHADRM C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(Cl)s1)CC(C)(C)C ZINC000916652884 1122243475 /nfs/dbraw/zinc/24/34/75/1122243475.db2.gz ZQVQBZDYSCEGIW-SECBINFHSA-N -1 0 337.894 3.669 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)/C=C/c2ccccc2Cl)c2ccccc21 ZINC000321207529 1032413832 /nfs/dbraw/zinc/41/38/32/1032413832.db2.gz VZDIMOBTJOLGKJ-HBWSCVEGSA-N -1 0 327.767 3.568 20 0 EHADRM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cnc3ccsc3c2)c1 ZINC000084460855 1032430142 /nfs/dbraw/zinc/43/01/42/1032430142.db2.gz WRMBAEAYAWCIGX-NSHDSACASA-N -1 0 348.449 3.805 20 0 EHADRM COc1c(C)cc(C(=O)N=c2nc(-c3ccsc3)[n-]s2)cc1C ZINC000536924002 1032443940 /nfs/dbraw/zinc/44/39/40/1032443940.db2.gz FHKHUBUMALVWRN-UHFFFAOYSA-N -1 0 345.449 3.566 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000414629918 1017092250 /nfs/dbraw/zinc/09/22/50/1017092250.db2.gz UYGIDBQIXIJPHJ-YKWDICOMSA-N -1 0 344.455 3.608 20 0 EHADRM CC(C)[C@H](NC(=O)NCCCCCC(=O)[O-])c1ccc(F)cc1F ZINC000414632720 1017092963 /nfs/dbraw/zinc/09/29/63/1017092963.db2.gz SUQUYPHNOWUFHC-INIZCTEOSA-N -1 0 342.386 3.606 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)NCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000414634098 1017095551 /nfs/dbraw/zinc/09/55/51/1017095551.db2.gz WTFKRFGKWQIPEW-IAQYHMDHSA-N -1 0 326.824 3.591 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])c1 ZINC000579911953 1017099065 /nfs/dbraw/zinc/09/90/65/1017099065.db2.gz LYPHMYNMBDQVLU-DYVFJYSZSA-N -1 0 348.443 3.939 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)Nc1cc(C(F)F)ccc1Cl)C(=O)[O-] ZINC000601988391 1032583389 /nfs/dbraw/zinc/58/33/89/1032583389.db2.gz JFFVVJOEALXIQL-NKWVEPMBSA-N -1 0 337.775 3.811 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2C(=O)[C@H](C)S[C@H](C)C(=O)[O-])cc1 ZINC000601994108 1032586979 /nfs/dbraw/zinc/58/69/79/1032586979.db2.gz LMJHMADZJRFCCQ-LZWOXQAQSA-N -1 0 335.469 3.643 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)N(Cc1ccccc1)c1ccccc1 ZINC000602001132 1032589926 /nfs/dbraw/zinc/58/99/26/1032589926.db2.gz SDRBNPDZZIDIEF-CABCVRRESA-N -1 0 343.448 3.815 20 0 EHADRM CCN(CC(C)C)C(=O)N=c1[n-]nc(-c2cc(F)ccc2C)s1 ZINC000471344425 1017135347 /nfs/dbraw/zinc/13/53/47/1017135347.db2.gz ZRACYOAGJRZEML-UHFFFAOYSA-N -1 0 336.436 3.584 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)c1ccccc1CCC(F)(F)F ZINC000340407414 1017467224 /nfs/dbraw/zinc/46/72/24/1017467224.db2.gz LAQFYEMJSQIICS-UHFFFAOYSA-N -1 0 335.329 3.523 20 0 EHADRM COc1cc(C(=O)O[C@@H](C)c2ccc(Cl)cc2)cc(OC)c1O ZINC000754272745 1017732417 /nfs/dbraw/zinc/73/24/17/1017732417.db2.gz VNVJDXDIRVRNAC-JTQLQIEISA-N -1 0 336.771 3.981 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@H]2CC[C@H](C3CCC3)CC2)cc1C(=O)[O-] ZINC000659129616 1017755922 /nfs/dbraw/zinc/75/59/22/1017755922.db2.gz WLBZEXAAMPVWNP-SHTZXODSSA-N -1 0 333.428 3.851 20 0 EHADRM C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000653295039 1017764825 /nfs/dbraw/zinc/76/48/25/1017764825.db2.gz DCOSDJMACBPIHK-RTXFEEFZSA-N -1 0 343.345 3.726 20 0 EHADRM Cc1ccccc1CC1CN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000683625439 1017778620 /nfs/dbraw/zinc/77/86/20/1017778620.db2.gz VNUGUWJIKFKKCJ-UHFFFAOYSA-N -1 0 333.790 3.808 20 0 EHADRM CC(C)(CC(=O)NCC1(c2cccc(Cl)c2)CCCC1)C(=O)[O-] ZINC000580003087 1018020906 /nfs/dbraw/zinc/02/09/06/1018020906.db2.gz GCOHAGBTKAGPEF-UHFFFAOYSA-N -1 0 337.847 3.769 20 0 EHADRM Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000602271309 1032741703 /nfs/dbraw/zinc/74/17/03/1032741703.db2.gz SPJLXGSIVSMNOW-KURKYZTESA-N -1 0 329.440 3.865 20 0 EHADRM O=C(N[C@H]1CCC[C@@H]1Cc1ccccc1)c1c([O-])cc(F)cc1F ZINC000606534415 1032742702 /nfs/dbraw/zinc/74/27/02/1032742702.db2.gz NIXBMMQGPTXIIV-CJNGLKHVSA-N -1 0 331.362 3.812 20 0 EHADRM Clc1cnc(CN=c2[n-]nc(CC3CCCCC3)s2)s1 ZINC000471477070 1018127380 /nfs/dbraw/zinc/12/73/80/1018127380.db2.gz SWFRZIPNKZCBHQ-UHFFFAOYSA-N -1 0 328.894 3.805 20 0 EHADRM CCc1ccc(CCC(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC000325415099 1032747273 /nfs/dbraw/zinc/74/72/73/1032747273.db2.gz VDUOTGOIQCDWHV-UHFFFAOYSA-N -1 0 325.408 3.838 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H](C(=O)Nc2cccc(-c3cccc(Cl)c3)c2)O1 ZINC000340580355 1018574216 /nfs/dbraw/zinc/57/42/16/1018574216.db2.gz HOXWLLAGYDSONP-HOTGVXAUSA-N -1 0 345.782 3.578 20 0 EHADRM O=C([O-])C1(C(=O)N2CCC(c3c[nH]c4ccccc43)CC2)CCCC1 ZINC000580079334 1018614724 /nfs/dbraw/zinc/61/47/24/1018614724.db2.gz YMCRXQIOZDLKBG-UHFFFAOYSA-N -1 0 340.423 3.519 20 0 EHADRM CCC[C@](C)(NC(=O)N[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000580111819 1018658397 /nfs/dbraw/zinc/65/83/97/1018658397.db2.gz BEMACECNJJHBDF-BONVTDFDSA-N -1 0 346.349 3.709 20 0 EHADRM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000319221268 1018743843 /nfs/dbraw/zinc/74/38/43/1018743843.db2.gz PVOBDDLCXCZLGV-FWDPORAESA-N -1 0 343.210 3.710 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000580201423 1018777510 /nfs/dbraw/zinc/77/75/10/1018777510.db2.gz MQNCCLGRIVQXIZ-BTRQGYIVSA-N -1 0 343.467 3.795 20 0 EHADRM CC(C)Oc1ccc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)c(F)c1 ZINC000052118327 1018834297 /nfs/dbraw/zinc/83/42/97/1018834297.db2.gz IXIIMOXHYSEIBR-OAHLLOKOSA-N -1 0 345.370 3.810 20 0 EHADRM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2sc(C)nc2C)c1 ZINC000433490281 1019018036 /nfs/dbraw/zinc/01/80/36/1019018036.db2.gz HGYWPAVQGWWKRW-SNVBAGLBSA-N -1 0 340.470 3.738 20 0 EHADRM CCCOc1cncc(-c2cccc(C(=O)C[C@H](C)C(=O)[O-])c2)c1 ZINC000580330657 1019046397 /nfs/dbraw/zinc/04/63/97/1019046397.db2.gz QIRMEGMXGVROPB-ZDUSSCGKSA-N -1 0 327.380 3.831 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)c1 ZINC000433521236 1019049227 /nfs/dbraw/zinc/04/92/27/1019049227.db2.gz SHHYIFDJSQHLCG-UHFFFAOYSA-N -1 0 345.342 3.790 20 0 EHADRM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000155672666 1019062902 /nfs/dbraw/zinc/06/29/02/1019062902.db2.gz XGNASTQYKYXYKX-QMMMGPOBSA-N -1 0 330.413 3.589 20 0 EHADRM CC(C)Oc1ccc(NC(=O)NO[C@@H]2CCCCO2)cc1Cl ZINC000155692877 1019117668 /nfs/dbraw/zinc/11/76/68/1019117668.db2.gz YRGOGTWZDSKSAH-CQSZACIVSA-N -1 0 328.796 3.707 20 0 EHADRM O=S(=O)(c1ccccc1Nc1cccc([S-])c1)N1CCCC1 ZINC001210950637 1019118881 /nfs/dbraw/zinc/11/88/81/1019118881.db2.gz RARQNQRKGNGQTF-UHFFFAOYSA-N -1 0 334.466 3.503 20 0 EHADRM O=C([O-])c1ccccc1Nc1cc(Br)cn2ccnc12 ZINC001210970120 1019150782 /nfs/dbraw/zinc/15/07/82/1019150782.db2.gz UDJBWMNXJOTLTN-UHFFFAOYSA-N -1 0 332.157 3.539 20 0 EHADRM O=C([O-])[C@]1(NCc2cc3ccccc3o2)CCc2c1cccc2F ZINC000340675797 1019157322 /nfs/dbraw/zinc/15/73/22/1019157322.db2.gz HSCFQALNMANRNP-IBGZPJMESA-N -1 0 325.339 3.588 20 0 EHADRM COc1ccc(C(=O)[O-])cc1NCc1c[nH]nc1-c1ccccc1F ZINC000340675848 1019166267 /nfs/dbraw/zinc/16/62/67/1019166267.db2.gz IAAHXRNTXKKYCJ-UHFFFAOYSA-N -1 0 341.342 3.535 20 0 EHADRM CC(C)(C)CCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000729066769 1019172596 /nfs/dbraw/zinc/17/25/96/1019172596.db2.gz CHVIWJZVFYZBJU-UHFFFAOYSA-N -1 0 337.485 3.587 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)c1ccc(-c2ccc(F)cc2)cc1F)C1CC1 ZINC000262632638 1032816433 /nfs/dbraw/zinc/81/64/33/1032816433.db2.gz OSWHQUYBWWJYLV-LLVKDONJSA-N -1 0 345.345 3.710 20 0 EHADRM CCC[C@H](C(=O)[O-])[S@@](=O)Cc1nc(C2CCCCC2)cs1 ZINC000580409754 1019314988 /nfs/dbraw/zinc/31/49/88/1019314988.db2.gz MAIZIUISAGSYHQ-ASSNKEHSSA-N -1 0 329.487 3.693 20 0 EHADRM C[C@H](Cc1n[n-]c(=NCc2cnc(C(C)(C)C)nc2)o1)CC(C)(C)C ZINC000340687960 1019341520 /nfs/dbraw/zinc/34/15/20/1019341520.db2.gz IFDSIPNNFSZGAI-CYBMUJFWSA-N -1 0 345.491 3.806 20 0 EHADRM FC(F)(F)[C@H](C[C@H]1CCCO1)[N-]c1noc(-c2ccccc2)n1 ZINC000656228077 1019432642 /nfs/dbraw/zinc/43/26/42/1019432642.db2.gz OXFKHRZQTPXDPG-NEPJUHHUSA-N -1 0 327.306 3.649 20 0 EHADRM C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)CC(C)(C)C(=O)[O-] ZINC000568320104 1019446280 /nfs/dbraw/zinc/44/62/80/1019446280.db2.gz IHRTUGMSLBOTCL-SECBINFHSA-N -1 0 344.238 3.940 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)NCc1ccc(Oc2ccccc2)cc1 ZINC000656232951 1019471862 /nfs/dbraw/zinc/47/18/62/1019471862.db2.gz QQMBMSCDXGRHAY-AWEZNQCLSA-N -1 0 327.380 3.596 20 0 EHADRM Cc1c(NC(=O)c2cccc3c2OC(C)(C)C3)cccc1C(=O)[O-] ZINC000656233667 1019480191 /nfs/dbraw/zinc/48/01/91/1019480191.db2.gz GUCATDZYDZWBQA-UHFFFAOYSA-N -1 0 325.364 3.659 20 0 EHADRM CCC[C@@H](NC(=O)N=c1nc([C@@H](C)OC)[n-]s1)C1CCCCC1 ZINC000580499753 1019501897 /nfs/dbraw/zinc/50/18/97/1019501897.db2.gz KLRYBBJBHWXRKJ-DGCLKSJQSA-N -1 0 340.493 3.538 20 0 EHADRM CC(C)Sc1c(Cl)cccc1NC(=O)[C@H]1CC[C@@H]1C(=O)[O-] ZINC000261998712 1019509702 /nfs/dbraw/zinc/50/97/02/1019509702.db2.gz DJUOKCNBEBPQNN-UWVGGRQHSA-N -1 0 327.833 3.890 20 0 EHADRM CSc1cc(C(=O)NC[C@H](C)CC(=O)[O-])c(Cl)cc1Cl ZINC000262216340 1019564871 /nfs/dbraw/zinc/56/48/71/1019564871.db2.gz YDDPVDDNOWYCLW-SSDOTTSWSA-N -1 0 336.240 3.556 20 0 EHADRM CCCN(C(=O)[C@@H]1CC[C@H]1C(=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000262283054 1019583334 /nfs/dbraw/zinc/58/33/34/1019583334.db2.gz ZKNORXSEAWXQMB-BPLDGKMQSA-N -1 0 329.396 3.843 20 0 EHADRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000263476542 1019618003 /nfs/dbraw/zinc/61/80/03/1019618003.db2.gz SWROIZBIEBKFEL-RISCZKNCSA-N -1 0 344.238 3.686 20 0 EHADRM CCc1cccc(S(=O)(=O)Nc2ccc(OC(F)F)cc2)c1 ZINC000433800260 1019640685 /nfs/dbraw/zinc/64/06/85/1019640685.db2.gz CBZINISAZSEXOP-UHFFFAOYSA-N -1 0 327.352 3.651 20 0 EHADRM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cccc(C)c2F)n[nH]1 ZINC000513430813 1019657182 /nfs/dbraw/zinc/65/71/82/1019657182.db2.gz AOFBNYICMVNKED-JTQLQIEISA-N -1 0 325.409 3.562 20 0 EHADRM CCc1ccc(-c2cccc(S(=O)(=O)CCCC(=O)[O-])c2)cc1 ZINC000580570626 1019663403 /nfs/dbraw/zinc/66/34/03/1019663403.db2.gz FVKRHYKICRTQNX-UHFFFAOYSA-N -1 0 332.421 3.555 20 0 EHADRM C[C@@H]1CN(C(=O)CCCc2ccc3ccccc3c2)CC[C@@H]1C(=O)[O-] ZINC000262960404 1019777532 /nfs/dbraw/zinc/77/75/32/1019777532.db2.gz LYWAPSHWBYZODH-BEFAXECRSA-N -1 0 339.435 3.732 20 0 EHADRM C[C@H](CC(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000262985546 1019782148 /nfs/dbraw/zinc/78/21/48/1019782148.db2.gz JVRGSXHGWTWCOI-CABCVRRESA-N -1 0 341.407 3.521 20 0 EHADRM COc1ccc(-c2cccc(C(=O)C[C@H](C)C(=O)[O-])c2)cc1OC ZINC000580659238 1019805049 /nfs/dbraw/zinc/80/50/49/1019805049.db2.gz JAUPXIDKSYAFMN-LBPRGKRZSA-N -1 0 328.364 3.664 20 0 EHADRM COCc1cccc([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c1 ZINC000340739862 1019833827 /nfs/dbraw/zinc/83/38/27/1019833827.db2.gz MTPDHMXCZXIUGR-UHFFFAOYSA-N -1 0 347.770 3.565 20 0 EHADRM Cc1ccc2oc(Sc3n[n-]c(=NCC(F)(F)F)s3)nc2c1 ZINC000513641305 1019899273 /nfs/dbraw/zinc/89/92/73/1019899273.db2.gz YOBNFNFAWGMDMY-UHFFFAOYSA-N -1 0 346.359 3.535 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)Cc2ccc(Cl)s2)cc1)C(=O)[O-] ZINC000263523275 1019924118 /nfs/dbraw/zinc/92/41/18/1019924118.db2.gz IIVZCYFAQYHKPA-SNVBAGLBSA-N -1 0 337.828 3.846 20 0 EHADRM CN(C[C@@H]1CC=CCC1)C(=O)N=c1[n-]nc(/C=C/c2ccco2)s1 ZINC000345108753 1019953276 /nfs/dbraw/zinc/95/32/76/1019953276.db2.gz LTZJSUZZPCZUMG-WTNCMQEWSA-N -1 0 344.440 3.543 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2cccc(C)c2Cl)n1 ZINC000580856863 1020146154 /nfs/dbraw/zinc/14/61/54/1020146154.db2.gz URTAOVPJFIONMD-UHFFFAOYSA-N -1 0 328.846 3.566 20 0 EHADRM CCc1nc2ccccc2n1CC(=O)Nc1cc(Cl)c([O-])cc1F ZINC000345608090 1020383143 /nfs/dbraw/zinc/38/31/43/1020383143.db2.gz MRINUEQGTUZAMP-UHFFFAOYSA-N -1 0 347.777 3.736 20 0 EHADRM CC(=O)c1cc(C(=O)Nc2cc(Cl)c([O-])cc2F)c(C)nc1C ZINC000345600639 1020395520 /nfs/dbraw/zinc/39/55/20/1020395520.db2.gz DFLYBBYMYVOVRQ-UHFFFAOYSA-N -1 0 336.750 3.651 20 0 EHADRM O=C([O-])c1ccccc1C[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000581077255 1020409956 /nfs/dbraw/zinc/40/99/56/1020409956.db2.gz KJLUJPPIGBXQQE-INIZCTEOSA-N -1 0 341.382 3.619 20 0 EHADRM CN1C(=O)CCc2cc(/C=C/C(=O)c3cc(Cl)ccc3[O-])ccc21 ZINC000187644478 1020421932 /nfs/dbraw/zinc/42/19/32/1020421932.db2.gz RBTGXXHLEKLGSR-XVNBXDOJSA-N -1 0 341.794 3.851 20 0 EHADRM Cn1cc(Cl)cc1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000345860503 1020563250 /nfs/dbraw/zinc/56/32/50/1020563250.db2.gz BSIOJEIXUXFGTD-UHFFFAOYSA-N -1 0 334.784 3.844 20 0 EHADRM COc1cc(C)c(NC(=O)c2cc(=O)c3ccccc3[n-]2)c(C)c1C ZINC000345883314 1020572569 /nfs/dbraw/zinc/57/25/69/1020572569.db2.gz GGEPJCYUQKFGRN-UHFFFAOYSA-N -1 0 336.391 3.714 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cc(F)ccc1F)c1ccc(Cl)cc1 ZINC000345912049 1020586651 /nfs/dbraw/zinc/58/66/51/1020586651.db2.gz QKIGIBPSAFHADG-CQSZACIVSA-N -1 0 339.725 3.564 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)C/C=C\c1ccc(F)cc1 ZINC000345894349 1020594141 /nfs/dbraw/zinc/59/41/41/1020594141.db2.gz XBXWDZLBNQDOLT-WLPBJKJWSA-N -1 0 341.382 3.870 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1csc(C(C)(C)C)n1 ZINC000345902555 1020599775 /nfs/dbraw/zinc/59/97/75/1020599775.db2.gz ILFZAPJGUCMPAM-CYBMUJFWSA-N -1 0 346.452 3.695 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)C[C@]1(C(=O)[O-])CCSC1 ZINC000656483946 1020707335 /nfs/dbraw/zinc/70/73/35/1020707335.db2.gz HRDJAQNNYHXTCJ-CQSZACIVSA-N -1 0 345.873 3.598 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)NCc1ccc(-c2cccs2)cc1 ZINC000656485795 1020707610 /nfs/dbraw/zinc/70/76/10/1020707610.db2.gz HCBWSGUEQIDWDR-HZPDHXFCSA-N -1 0 341.432 3.698 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1cccc2c1ccn2C(F)F ZINC000656487573 1020710424 /nfs/dbraw/zinc/71/04/24/1020710424.db2.gz VNPJTVWPAFTEMC-GHMZBOCLSA-N -1 0 334.322 3.642 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)NCC[C@@]1(C)CC1(F)F)C1CCCCC1 ZINC000656485649 1020711701 /nfs/dbraw/zinc/71/17/01/1020711701.db2.gz HCFISKIKDNBEFX-JKSUJKDBSA-N -1 0 331.403 3.599 20 0 EHADRM O=C([O-])C12CC(C1)CN2C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000656504763 1020761326 /nfs/dbraw/zinc/76/13/26/1020761326.db2.gz KRELVLTVESFQOB-UHFFFAOYSA-N -1 0 338.363 3.560 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)Nc1ccc2c(c1)C=CCCC2 ZINC000656505872 1020766598 /nfs/dbraw/zinc/76/65/98/1020766598.db2.gz GLBGWGXEIPKXAJ-JQHSSLGASA-N -1 0 340.423 3.753 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cccc(C)c2F)cc1Cl ZINC000313217351 1020791210 /nfs/dbraw/zinc/79/12/10/1020791210.db2.gz LVBYMQLUJIDVHC-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)NCc1cccc(C)c1 ZINC000581525500 1021054590 /nfs/dbraw/zinc/05/45/90/1021054590.db2.gz MNGJMYWREWFIOE-SFHVURJKSA-N -1 0 340.423 3.743 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)C[C@@H](c1ccccc1)C(F)(F)F)C(=O)[O-] ZINC000581550707 1021080842 /nfs/dbraw/zinc/08/08/42/1021080842.db2.gz LSLVOSOWXKYJNP-FPMFFAJLSA-N -1 0 345.361 3.728 20 0 EHADRM CCCC[C@H](NC(=O)Nc1ccc(OCC)c(Cl)c1)C(=O)[O-] ZINC000518420824 1021161784 /nfs/dbraw/zinc/16/17/84/1021161784.db2.gz YQDGDWZSOHBURN-LBPRGKRZSA-N -1 0 328.796 3.504 20 0 EHADRM CCCN(C[C@H]1CCCCO1)C(=O)c1ccc(C(F)(F)F)cc1O ZINC000436778819 1021206303 /nfs/dbraw/zinc/20/63/03/1021206303.db2.gz TWMRYASRCLNQLS-CYBMUJFWSA-N -1 0 345.361 3.832 20 0 EHADRM O=C(Nc1nc(-c2ccccn2)cs1)c1cc(F)cc(Cl)c1[O-] ZINC000436770260 1021219670 /nfs/dbraw/zinc/21/96/70/1021219670.db2.gz LUVJAUUYSVHNPO-UHFFFAOYSA-N -1 0 349.774 3.956 20 0 EHADRM CCc1ccc(C)nc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000656737696 1021224608 /nfs/dbraw/zinc/22/46/08/1021224608.db2.gz NCWUGNVKSRWOIF-UHFFFAOYSA-N -1 0 326.368 3.691 20 0 EHADRM Cc1ccc(-c2cc(COc3ccc(-c4n[n-]c(=N)o4)cc3)on2)cc1 ZINC000439197772 1021233957 /nfs/dbraw/zinc/23/39/57/1021233957.db2.gz IZMCORNKLWWKPJ-UHFFFAOYSA-N -1 0 348.362 3.692 20 0 EHADRM N=c1[n-]nc(-c2ccc(OCc3cccc(C(F)(F)F)c3)cc2)o1 ZINC000439201324 1021235345 /nfs/dbraw/zinc/23/53/45/1021235345.db2.gz SWTRGRXRWVYVSS-UHFFFAOYSA-N -1 0 335.285 3.747 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2nccc(C)c2C2CC2)c(C)c1 ZINC000656739130 1021235552 /nfs/dbraw/zinc/23/55/52/1021235552.db2.gz UBCJILZTENVZAL-UHFFFAOYSA-N -1 0 346.452 3.694 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cnn(C(C)(C)C)c2CC)c1 ZINC000436833997 1021267979 /nfs/dbraw/zinc/26/79/79/1021267979.db2.gz KYCCTHGFVCNJJO-UHFFFAOYSA-N -1 0 343.427 3.751 20 0 EHADRM Cc1nc(NC(=O)c2cc(F)cc(Br)c2[O-])sc1C ZINC000436847111 1021292301 /nfs/dbraw/zinc/29/23/01/1021292301.db2.gz DRJYRYIYRUTEMN-UHFFFAOYSA-N -1 0 345.193 3.619 20 0 EHADRM Cc1ccc(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)c(O)c1C ZINC000436852005 1021293363 /nfs/dbraw/zinc/29/33/63/1021293363.db2.gz HEAMRHFVJIALNX-KRWDZBQOSA-N -1 0 341.407 3.819 20 0 EHADRM Cc1cccc2c1CN(C(=O)c1cc(Br)ccc1O)CC2 ZINC000436852100 1021294381 /nfs/dbraw/zinc/29/43/81/1021294381.db2.gz NMSOQGGAGPFXBV-UHFFFAOYSA-N -1 0 346.224 3.662 20 0 EHADRM CC[C@H]1CCCN(C(=O)c2cc(F)cc(Br)c2[O-])CC1 ZINC000436861054 1021298051 /nfs/dbraw/zinc/29/80/51/1021298051.db2.gz ZCLCFKWYZKUDHN-JTQLQIEISA-N -1 0 344.224 3.946 20 0 EHADRM COc1cc(/C=C/c2nc3ccc(C(=O)[O-])cc3o2)cc(OC)c1 ZINC000439270889 1021307135 /nfs/dbraw/zinc/30/71/35/1021307135.db2.gz IKDUAZCXNAUVIV-ZZXKWVIFSA-N -1 0 325.320 3.714 20 0 EHADRM O=C([O-])c1ccc2nc(/C=C/c3ccn(-c4ccccc4)n3)oc2c1 ZINC000439271308 1021307383 /nfs/dbraw/zinc/30/73/83/1021307383.db2.gz ISRJTGUHGNXRNJ-VQHVLOKHSA-N -1 0 331.331 3.882 20 0 EHADRM COCCOc1cccc(/C=C\c2nc3c(cccc3C(=O)[O-])o2)c1 ZINC000439277518 1021313464 /nfs/dbraw/zinc/31/34/64/1021313464.db2.gz VBEVNDSCXIXPNB-HJWRWDBZSA-N -1 0 339.347 3.722 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CCSc2ccc(F)cc2)c1 ZINC000436877178 1021322167 /nfs/dbraw/zinc/32/21/67/1021322167.db2.gz NJCPHIZNWWHMBV-UHFFFAOYSA-N -1 0 333.384 3.855 20 0 EHADRM CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2cccc3ccccc32)c1 ZINC000436879512 1021331138 /nfs/dbraw/zinc/33/11/38/1021331138.db2.gz KOQDYPHQDTUBQW-UHFFFAOYSA-N -1 0 341.388 3.549 20 0 EHADRM Cc1cc(C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)nn1C ZINC000436905263 1021350015 /nfs/dbraw/zinc/35/00/15/1021350015.db2.gz HLIDNZGEIMEURB-UHFFFAOYSA-N -1 0 334.590 3.647 20 0 EHADRM Cc1cc(C(=O)Nc2cc(F)cc(Cl)c2[O-])nn1[C@@H](C)C1CC1 ZINC000436908278 1021351987 /nfs/dbraw/zinc/35/19/87/1021351987.db2.gz VIGZMDVAZANYQX-VIFPVBQESA-N -1 0 337.782 3.913 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(Cl)cc2[O-])cc1NC(=O)N(C)C ZINC000436927475 1021388339 /nfs/dbraw/zinc/38/83/39/1021388339.db2.gz OBVCYCVLOXKGOD-UHFFFAOYSA-N -1 0 347.802 3.700 20 0 EHADRM O=C(N[C@@H]1COc2cccc(Cl)c21)c1cc(F)c([O-])c(Cl)c1 ZINC000436937335 1021399191 /nfs/dbraw/zinc/39/91/91/1021399191.db2.gz HTQFXTKMUSLLNF-LLVKDONJSA-N -1 0 342.153 3.702 20 0 EHADRM Cc1cc(C)nc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000107475659 1032976502 /nfs/dbraw/zinc/97/65/02/1032976502.db2.gz VFPCDDDPSJTXQH-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NCc1ccc(-c2ccccc2)cc1F ZINC000427442624 1021403735 /nfs/dbraw/zinc/40/37/35/1021403735.db2.gz HTRAMDGOTWHSND-UHFFFAOYSA-N -1 0 343.398 4.000 20 0 EHADRM C[C@H]1SCCN(C(=O)c2c([O-])cccc2F)[C@H]1c1ccccc1 ZINC000436948377 1021407892 /nfs/dbraw/zinc/40/78/92/1021407892.db2.gz OLSPYHKBBQOCGP-SJKOYZFVSA-N -1 0 331.412 3.850 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@H]1CCCc2sc(Cl)cc21 ZINC000427451063 1021409914 /nfs/dbraw/zinc/40/99/14/1021409914.db2.gz PALKULZKQOIXMJ-JTQLQIEISA-N -1 0 329.849 3.786 20 0 EHADRM COc1c(F)cc(F)cc1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436954965 1021418884 /nfs/dbraw/zinc/41/88/84/1021418884.db2.gz JGJUBMJTACUYIA-UHFFFAOYSA-N -1 0 331.677 3.724 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(CC(C)(C)C)nn2C)c(C)c1 ZINC000518703654 1021448408 /nfs/dbraw/zinc/44/84/08/1021448408.db2.gz WEYKTJHTQUGRQJ-UHFFFAOYSA-N -1 0 349.500 3.735 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C[C@H](C2CC2)O1 ZINC000436983725 1021456126 /nfs/dbraw/zinc/45/61/26/1021456126.db2.gz KXMAYUWFCPCITG-APPDUMDISA-N -1 0 345.826 3.838 20 0 EHADRM CCCCCOc1ccc(C(=O)N2C[C@H]3CCC[C@]3(C(=O)[O-])C2)cc1 ZINC000341343631 1021473805 /nfs/dbraw/zinc/47/38/05/1021473805.db2.gz AYHQPFUHRHIKJV-UZLBHIALSA-N -1 0 345.439 3.583 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)cc1Cl ZINC000656849198 1021480161 /nfs/dbraw/zinc/48/01/61/1021480161.db2.gz JRJCXUGXTALGML-MRXNPFEDSA-N -1 0 325.792 3.567 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1Cc1nc(C2CCCC2)no1 ZINC000516665299 1021648567 /nfs/dbraw/zinc/64/85/67/1021648567.db2.gz YRSANGRDRZITNG-CVEARBPZSA-N -1 0 347.459 3.583 20 0 EHADRM CCOc1ccc([C@@H]2C[C@H]2NC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000437230542 1021666289 /nfs/dbraw/zinc/66/62/89/1021666289.db2.gz CXVQLESENUEEHR-GOEBONIOSA-N -1 0 331.799 3.730 20 0 EHADRM Cc1nc(CN=c2[n-]nc([C@H]3CCCc4ccccc43)s2)cs1 ZINC000519859421 1021729239 /nfs/dbraw/zinc/72/92/39/1021729239.db2.gz INRVGOOJHYCJTM-HNNXBMFYSA-N -1 0 342.493 3.805 20 0 EHADRM CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000048638954 1021729736 /nfs/dbraw/zinc/72/97/36/1021729736.db2.gz OAUTXLTWUVJNQA-SNVBAGLBSA-N -1 0 341.458 3.553 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2F)c2cccnc2c1C ZINC000437310453 1021731136 /nfs/dbraw/zinc/73/11/36/1021731136.db2.gz WBOAEKCFELHWJS-UHFFFAOYSA-N -1 0 348.374 3.931 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cn2)cc1F ZINC000437328367 1021737995 /nfs/dbraw/zinc/73/79/95/1021737995.db2.gz BNMPFVHZJWCJHR-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CCCc1n[n-]c(=NC(=O)NCc2c(Cl)cccc2Cl)s1 ZINC000519909256 1021760765 /nfs/dbraw/zinc/76/07/65/1021760765.db2.gz OVGWGADBSTUHIL-UHFFFAOYSA-N -1 0 345.255 3.541 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)[C@@H]2C[C@H]2C2CCCC2)c1 ZINC000593695398 1033007538 /nfs/dbraw/zinc/00/75/38/1033007538.db2.gz NJGLEOFJSHUVNB-JKSUJKDBSA-N -1 0 333.453 3.769 20 0 EHADRM CCSc1ccc(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])cc1 ZINC000439911330 1021806468 /nfs/dbraw/zinc/80/64/68/1021806468.db2.gz OLRRBGFFNTWYTM-KRWDZBQOSA-N -1 0 341.432 3.623 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N(CCc2ccccc2)CC(C)C)s1 ZINC000519055512 1021815057 /nfs/dbraw/zinc/81/50/57/1021815057.db2.gz IVHXTOSMFPLOPC-UHFFFAOYSA-N -1 0 346.500 3.645 20 0 EHADRM O=C(N[C@@H]1CCOC2(CCCC2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000581833196 1021851489 /nfs/dbraw/zinc/85/14/89/1021851489.db2.gz FYXLALZNPADJQF-LLVKDONJSA-N -1 0 343.345 3.633 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)s1 ZINC000439985102 1021864855 /nfs/dbraw/zinc/86/48/55/1021864855.db2.gz DVUASPBFDVNPHC-UHFFFAOYSA-N -1 0 333.434 3.970 20 0 EHADRM COc1cc(Cl)ccc1C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000520027368 1021880010 /nfs/dbraw/zinc/88/00/10/1021880010.db2.gz KOOAFGQSWAXRGW-UHFFFAOYSA-N -1 0 345.811 3.541 20 0 EHADRM Cc1c(Cl)cc(NC(=O)N[C@@H](CC2CC2)C(=O)[O-])cc1Cl ZINC000516948194 1021883048 /nfs/dbraw/zinc/88/30/48/1021883048.db2.gz IFELIJDMJLKQIZ-LBPRGKRZSA-N -1 0 331.199 3.677 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl)C1CCCCC1 ZINC000516988548 1021924442 /nfs/dbraw/zinc/92/44/42/1021924442.db2.gz YAFZQLBLDLVUHH-VYDXJSESSA-N -1 0 349.858 3.983 20 0 EHADRM Cc1cccc(COc2cccc([N-]S(=O)(=O)c3ccco3)c2)c1 ZINC000437661226 1022037560 /nfs/dbraw/zinc/03/75/60/1022037560.db2.gz IPLXCPBYTAOJEG-UHFFFAOYSA-N -1 0 343.404 3.968 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])CCC1=O ZINC000276657653 1022055924 /nfs/dbraw/zinc/05/59/24/1022055924.db2.gz SSBPADXFHQTVNP-GFCCVEGCSA-N -1 0 343.810 3.764 20 0 EHADRM O=C([O-])c1csc(CNCc2cc(-c3ccccc3)cs2)n1 ZINC000426640152 1022125119 /nfs/dbraw/zinc/12/51/19/1022125119.db2.gz QGOXZEFNJOTODL-UHFFFAOYSA-N -1 0 330.434 3.860 20 0 EHADRM CC(C)[C@@H]1CCCN(C(=O)c2nn(-c3cccc(F)c3)cc2[O-])CC1 ZINC000550322837 1022127834 /nfs/dbraw/zinc/12/78/34/1022127834.db2.gz VVSWYSXXXSQRGS-CQSZACIVSA-N -1 0 345.418 3.615 20 0 EHADRM CC[C@@H]1CCC[C@H](NC(=O)N=c2[n-]nc(Cc3ccccc3)s2)C1 ZINC000607193992 1033034235 /nfs/dbraw/zinc/03/42/35/1033034235.db2.gz FANDBEWJQFYPFR-HIFRSBDPSA-N -1 0 344.484 3.641 20 0 EHADRM COc1cc(NC(=O)c2ccc(Br)c([O-])c2)ccc1F ZINC000187577580 1022192789 /nfs/dbraw/zinc/19/27/89/1022192789.db2.gz YRBATSRLOVTOKV-UHFFFAOYSA-N -1 0 340.148 3.555 20 0 EHADRM CC[C@H](NC(=O)c1c([O-])cc(F)cc1F)c1cc(F)ccc1F ZINC000607191253 1033033826 /nfs/dbraw/zinc/03/38/26/1033033826.db2.gz CHYMOKXHPYSBRQ-ZDUSSCGKSA-N -1 0 327.277 3.830 20 0 EHADRM CC(C)[C@@H](CNC(=O)CCCc1csc2ccccc12)C(=O)[O-] ZINC000655566891 1022251414 /nfs/dbraw/zinc/25/14/14/1022251414.db2.gz KDDPTSSWNRAXBD-OAHLLOKOSA-N -1 0 333.453 3.697 20 0 EHADRM C[C@H](NC(=O)N=c1[n-]nc(C(C)(C)C)s1)[C@@H](C)c1ccccc1 ZINC000473625085 1022269476 /nfs/dbraw/zinc/26/94/76/1022269476.db2.gz BTDUBXQVBARVEJ-NEPJUHHUSA-N -1 0 332.473 3.571 20 0 EHADRM FC(F)(F)[C@@H](C[C@@H]1CCCO1)[N-]c1nnc(Cc2ccccc2)o1 ZINC000894435392 1022280694 /nfs/dbraw/zinc/28/06/94/1022280694.db2.gz OGMMPWYANUOUEI-QWHCGFSZSA-N -1 0 341.333 3.572 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc3scnc3c2)c(F)cc1F ZINC000084650094 1022344915 /nfs/dbraw/zinc/34/49/15/1022344915.db2.gz FXEBSLGKUJZQCG-UHFFFAOYSA-N -1 0 340.376 3.684 20 0 EHADRM Cc1c(NC(=O)C(C)(C)CCC(=O)[O-])cccc1OCC(F)(F)F ZINC000909406631 1022348569 /nfs/dbraw/zinc/34/85/69/1022348569.db2.gz GNLONDMFPBBGKM-UHFFFAOYSA-N -1 0 347.333 3.766 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)CCc2ccnc3ccccc23)c1 ZINC000473958724 1022402316 /nfs/dbraw/zinc/40/23/16/1022402316.db2.gz HUFDHDWDKVBNAQ-UHFFFAOYSA-N -1 0 348.402 3.823 20 0 EHADRM CC[C@@H]1CCC[C@@H](NC(=O)N=c2[n-]nc(-c3ccsc3)s2)C1 ZINC000607201584 1033053752 /nfs/dbraw/zinc/05/37/52/1033053752.db2.gz PWKQISMEBMRDBX-ZYHUDNBSSA-N -1 0 336.486 3.779 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)s1 ZINC000157862781 1022421997 /nfs/dbraw/zinc/42/19/97/1022421997.db2.gz JPORPVXAUIICHU-UHFFFAOYSA-N -1 0 335.372 3.962 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C[C@@H]1C(=O)[O-] ZINC000517567780 1022464413 /nfs/dbraw/zinc/46/44/13/1022464413.db2.gz RASVZKIWZZGAIX-YPMHNXCESA-N -1 0 347.798 3.783 20 0 EHADRM O=C([O-])c1cccc(CC(=O)NC2(c3ccccc3)CCCCC2)c1 ZINC000537472215 1033059641 /nfs/dbraw/zinc/05/96/41/1033059641.db2.gz KFIXATKGAPYKJU-UHFFFAOYSA-N -1 0 337.419 3.903 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC[C@H](C)CC3)n2)cc1 ZINC000303847121 1022570387 /nfs/dbraw/zinc/57/03/87/1022570387.db2.gz JYIUKXUKPOLUIV-HNNXBMFYSA-N -1 0 341.455 3.964 20 0 EHADRM Cc1ncc(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1F ZINC000536302299 1022600855 /nfs/dbraw/zinc/60/08/55/1022600855.db2.gz MUIDNRPYYZCOEW-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM COc1ccc(-c2noc(-c3ccc(Br)cc3[O-])n2)cc1 ZINC000111687721 1022704234 /nfs/dbraw/zinc/70/42/34/1022704234.db2.gz SZOMYDPADUTJQH-UHFFFAOYSA-N -1 0 347.168 3.880 20 0 EHADRM Cc1nc(C)c(CCC(=O)N2CC[C@@H](CC(C)(C)C)C2(C)C)c(=O)[nH]1 ZINC000331360147 1022800386 /nfs/dbraw/zinc/80/03/86/1022800386.db2.gz XLUYJJKUQXHIEK-HNNXBMFYSA-N -1 0 347.503 3.795 20 0 EHADRM CC(F)(F)c1cccc([N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000188561650 1022826318 /nfs/dbraw/zinc/82/63/18/1022826318.db2.gz SMSBTRDUIMLRKH-UHFFFAOYSA-N -1 0 333.306 3.877 20 0 EHADRM Cc1cccc(C)c1OC[C@H](C)N=c1[n-]nc(-c2ccccn2)s1 ZINC000520450310 1022833556 /nfs/dbraw/zinc/83/35/56/1022833556.db2.gz LGNFQXAZBZEVRQ-AWEZNQCLSA-N -1 0 340.452 3.518 20 0 EHADRM Cc1nc(CNCc2cnc(-c3ccccc3)s2)sc1C(=O)[O-] ZINC000426671733 1022889546 /nfs/dbraw/zinc/88/95/46/1022889546.db2.gz NPNOTSIHHSNHCP-UHFFFAOYSA-N -1 0 345.449 3.563 20 0 EHADRM Cc1nc(CNCc2cccc(-c3ccccn3)c2)sc1C(=O)[O-] ZINC000426697198 1022968850 /nfs/dbraw/zinc/96/88/50/1022968850.db2.gz SKRXSGMASKFOAT-UHFFFAOYSA-N -1 0 339.420 3.502 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)N=c2nc(C(C)(C)C)[n-]s2)cc1 ZINC000426716084 1022982586 /nfs/dbraw/zinc/98/25/86/1022982586.db2.gz UYZKXAKPMCPPFO-LLVKDONJSA-N -1 0 333.457 3.687 20 0 EHADRM O=C([O-])Cc1ccccc1CNCc1ncc(-c2ccccc2)s1 ZINC000426708950 1022994012 /nfs/dbraw/zinc/99/40/12/1022994012.db2.gz OTWRUXWEVDKELC-UHFFFAOYSA-N -1 0 338.432 3.727 20 0 EHADRM CCN(C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)[C@@H]1CCCC[C@H]1C ZINC000073306188 1022999846 /nfs/dbraw/zinc/99/98/46/1022999846.db2.gz RHMKPZUWEMEIOC-CRAIPNDOSA-N -1 0 341.455 3.515 20 0 EHADRM N=c1[n-]nc(-c2cccc(-c3nc4c(s3)Cc3ccccc3-4)c2)o1 ZINC000426753568 1023025517 /nfs/dbraw/zinc/02/55/17/1023025517.db2.gz JGLIWVRUOJBLDB-UHFFFAOYSA-N -1 0 332.388 3.844 20 0 EHADRM COc1ccccc1[C@H](CC(C)C)N=c1nc([C@H](C)OC)[n-]s1 ZINC000509551050 1023029636 /nfs/dbraw/zinc/02/96/36/1023029636.db2.gz CFUOERFUNUXEEO-JSGCOSHPSA-N -1 0 335.473 3.875 20 0 EHADRM COc1cc(Cl)c(C[NH2+][C@H](C(=O)[O-])c2ccccc2)cc1Cl ZINC000426769593 1023032911 /nfs/dbraw/zinc/03/29/11/1023032911.db2.gz KEAPNBUNRGJPCM-HNNXBMFYSA-N -1 0 340.206 3.918 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NCc2coc(-c3ccccc3)n2)o1 ZINC000426794261 1023051424 /nfs/dbraw/zinc/05/14/24/1023051424.db2.gz QXFNSMGFYHSDCX-OAHLLOKOSA-N -1 0 326.352 3.549 20 0 EHADRM Cc1ccc(-c2ncc(CN[C@@H](C(=O)[O-])c3cccc(F)c3)s2)o1 ZINC000426800742 1023055496 /nfs/dbraw/zinc/05/54/96/1023055496.db2.gz OSWUWDIPQQNKEB-OAHLLOKOSA-N -1 0 346.383 3.766 20 0 EHADRM COc1ccccc1[C@@H](NCc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000426816875 1023063163 /nfs/dbraw/zinc/06/31/63/1023063163.db2.gz MPTJVDNEZKNOTC-OAHLLOKOSA-N -1 0 340.206 3.918 20 0 EHADRM C[C@H](CN(C)C(=O)c1cc2cc(C(F)(F)F)ccc2s1)C(=O)[O-] ZINC000579377702 1023067660 /nfs/dbraw/zinc/06/76/60/1023067660.db2.gz XAWIMOIWYCRGTH-MRVPVSSYSA-N -1 0 345.342 3.713 20 0 EHADRM CCCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000507019122 1023078884 /nfs/dbraw/zinc/07/88/84/1023078884.db2.gz DUXAEQWOLLNURK-UHFFFAOYSA-N -1 0 345.342 3.694 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@@H](c2ccc(F)cc2F)C(C)C)s[n-]1 ZINC000509580618 1023079908 /nfs/dbraw/zinc/07/99/08/1023079908.db2.gz YTXLKRRQKLQLNX-TVQRCGJNSA-N -1 0 327.400 3.755 20 0 EHADRM Cc1n[nH]c(C)c1[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000341710261 1023090132 /nfs/dbraw/zinc/09/01/32/1023090132.db2.gz FGBQIXACBQUCJN-UHFFFAOYSA-N -1 0 335.816 3.634 20 0 EHADRM CC[C@H](CN=c1nc([C@H](C)OC)[n-]s1)Oc1cccc(Cl)c1 ZINC000509585673 1023092850 /nfs/dbraw/zinc/09/28/50/1023092850.db2.gz KMXIOIDZWURDBH-CMPLNLGQSA-N -1 0 341.864 3.590 20 0 EHADRM CC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C1CCCC1 ZINC001211845979 1023104979 /nfs/dbraw/zinc/10/49/79/1023104979.db2.gz GKDDUUPMLXOFDJ-LBPRGKRZSA-N -1 0 337.819 3.865 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@H]2CC[C@@H](c3ccccc3F)C2)s1 ZINC000431065370 1023186506 /nfs/dbraw/zinc/18/65/06/1023186506.db2.gz IRGIJUMITULQGJ-NEPJUHHUSA-N -1 0 348.447 3.509 20 0 EHADRM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1noc2ccccc21 ZINC000438984075 1023191143 /nfs/dbraw/zinc/19/11/43/1023191143.db2.gz JDXPECOUWLGEPH-UHFFFAOYSA-N -1 0 330.409 3.926 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2noc3ccccc32)c(Cl)cc1F ZINC000438990239 1023195316 /nfs/dbraw/zinc/19/53/16/1023195316.db2.gz XONFYHFBWLUCRW-UHFFFAOYSA-N -1 0 340.763 3.730 20 0 EHADRM CCC[C@@](C)(NC(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)C(=O)[O-] ZINC000346022186 1023206732 /nfs/dbraw/zinc/20/67/32/1023206732.db2.gz XYZKODFIBYXMNY-OAHLLOKOSA-N -1 0 343.210 3.848 20 0 EHADRM Cc1cscc1[N-]S(=O)(=O)c1cccc(Br)c1C ZINC000439038855 1023227571 /nfs/dbraw/zinc/22/75/71/1023227571.db2.gz FFMLKNXCRDYTJW-UHFFFAOYSA-N -1 0 346.271 3.928 20 0 EHADRM Cc1cscc1[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000439042203 1023230101 /nfs/dbraw/zinc/23/01/01/1023230101.db2.gz MUOAYMGKIMQNFV-UHFFFAOYSA-N -1 0 336.463 3.981 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1ccc(F)cc1Nc1ccccc1F ZINC000507298441 1023234390 /nfs/dbraw/zinc/23/43/90/1023234390.db2.gz JYRIDUJVJCNSAE-VXGBXAGGSA-N -1 0 346.333 3.758 20 0 EHADRM Cc1cscc1[N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2 ZINC000439052351 1023243172 /nfs/dbraw/zinc/24/31/72/1023243172.db2.gz TWSSEAUUSJKTFX-SECBINFHSA-N -1 0 343.857 3.834 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1ccoc1CC(=O)[O-])C1CC1 ZINC000909405722 1023250639 /nfs/dbraw/zinc/25/06/39/1023250639.db2.gz YHHWVSMBWLPGJX-NSHDSACASA-N -1 0 347.798 3.926 20 0 EHADRM O=C(CCc1ccccc1)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000518368829 1023261115 /nfs/dbraw/zinc/26/11/15/1023261115.db2.gz XRWYPZYNMNRJPQ-UHFFFAOYSA-N -1 0 343.839 3.852 20 0 EHADRM FC(F)(F)c1nc(=NCc2ccccc2OC2CCCC2)s[n-]1 ZINC000439105693 1023282671 /nfs/dbraw/zinc/28/26/71/1023282671.db2.gz JBVOIHHQBQUNOE-UHFFFAOYSA-N -1 0 343.374 3.912 20 0 EHADRM c1ccc2c(c1)cccc2CSCCN=c1[n-]nc(C2CC2)o1 ZINC000341820418 1023383056 /nfs/dbraw/zinc/38/30/56/1023383056.db2.gz IHABPDVIXDWSEG-UHFFFAOYSA-N -1 0 325.437 3.867 20 0 EHADRM Cc1c(NC(=O)Cc2cccc(C(F)(F)F)c2)cccc1C(=O)[O-] ZINC000392102471 1023400099 /nfs/dbraw/zinc/40/00/99/1023400099.db2.gz MHUCEIFEFWTAML-UHFFFAOYSA-N -1 0 337.297 3.893 20 0 EHADRM C[C@H]1[C@H](C(=O)Nc2cccc(Cl)c2[O-])CCN1c1ccccc1 ZINC000476335008 1033139607 /nfs/dbraw/zinc/13/96/07/1033139607.db2.gz JZVIXEUPAQPSGD-GXTWGEPZSA-N -1 0 330.815 3.899 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000607434662 1033142015 /nfs/dbraw/zinc/14/20/15/1033142015.db2.gz IPDSFQRWHUEATR-HUUCEWRRSA-N -1 0 341.455 3.819 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)c(C)c1 ZINC000471978265 1023668371 /nfs/dbraw/zinc/66/83/71/1023668371.db2.gz KZEKGFHRXPJXFI-UHFFFAOYSA-N -1 0 343.807 3.911 20 0 EHADRM Cc1sccc1[N-]S(=O)(=O)c1ccc2c(cnn2C(C)C)c1 ZINC000634795659 1023862412 /nfs/dbraw/zinc/86/24/12/1023862412.db2.gz IGZJVPREGMGFTJ-UHFFFAOYSA-N -1 0 335.454 3.788 20 0 EHADRM CCc1cnc([N-]S(=O)(=O)/C=C\c2cccc(Cl)c2)s1 ZINC000588482364 1023917204 /nfs/dbraw/zinc/91/72/04/1023917204.db2.gz MYDLGNOSJOFUFN-SREVYHEPSA-N -1 0 328.846 3.772 20 0 EHADRM CC(C)Oc1ccc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cc1 ZINC000396449394 1023926405 /nfs/dbraw/zinc/92/64/05/1023926405.db2.gz QYWHCNWTNBDVGL-ZDUSSCGKSA-N -1 0 327.380 3.914 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccnc(OC3CCC3)c2)cc1Cl ZINC000190605959 1023969391 /nfs/dbraw/zinc/96/93/91/1023969391.db2.gz QUFIHVOGRRXNFY-UHFFFAOYSA-N -1 0 346.770 3.617 20 0 EHADRM Cn1cc([C@@H](N=c2[n-]nc(-c3ccccc3)s2)C(C)(C)C)cn1 ZINC000535592672 1024005899 /nfs/dbraw/zinc/00/58/99/1024005899.db2.gz GXWFKPWNUYRQAD-CQSZACIVSA-N -1 0 327.457 3.560 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000191158682 1024042596 /nfs/dbraw/zinc/04/25/96/1024042596.db2.gz AFEXEDMQHUNNIU-SNVBAGLBSA-N -1 0 346.814 3.749 20 0 EHADRM Cc1cnc(CN[C@@]2(C(=O)[O-])C[C@H](C(C)C)c3ccccc32)s1 ZINC000417561669 1024051093 /nfs/dbraw/zinc/05/10/93/1024051093.db2.gz BEEACWJKBMMUIH-KDOFPFPSSA-N -1 0 330.453 3.665 20 0 EHADRM O=C([O-])Cc1c(Cl)cccc1-c1ccc(O[C@H]2CCOC2)cc1 ZINC000657204417 1024102525 /nfs/dbraw/zinc/10/25/25/1024102525.db2.gz LGYLBWNSALGMFO-AWEZNQCLSA-N -1 0 332.783 3.802 20 0 EHADRM CC(C)N(Cc1cccs1)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000522623894 1024125600 /nfs/dbraw/zinc/12/56/00/1024125600.db2.gz PDAGYBSFMPREAP-UHFFFAOYSA-N -1 0 338.502 3.762 20 0 EHADRM COc1cc(C)c(-c2cnc(C(F)(F)F)c(OC)c2)cc1C(=O)[O-] ZINC000657206610 1024127994 /nfs/dbraw/zinc/12/79/94/1024127994.db2.gz BTURVLKKNXGARY-UHFFFAOYSA-N -1 0 341.285 3.791 20 0 EHADRM COCCCOc1ccc(-c2ccccc2O[C@H](C)C(=O)[O-])cc1 ZINC000657207489 1024130462 /nfs/dbraw/zinc/13/04/62/1024130462.db2.gz RJMBDIAFRDYUSV-CQSZACIVSA-N -1 0 330.380 3.621 20 0 EHADRM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(F)(F)F ZINC000443934472 1024130875 /nfs/dbraw/zinc/13/08/75/1024130875.db2.gz IWTSGSQPPDWRFX-CPCISQLKSA-N -1 0 347.761 3.734 20 0 EHADRM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C(F)(F)F ZINC000443936276 1024131994 /nfs/dbraw/zinc/13/19/94/1024131994.db2.gz PUNVGTBTDHUYFJ-WRWORJQWSA-N -1 0 347.761 3.734 20 0 EHADRM Cn1[n-]c(C(=O)N[C@H]2CCCCC[C@H]2c2ccc(Cl)cc2)cc1=O ZINC000614593965 1024133187 /nfs/dbraw/zinc/13/31/87/1024133187.db2.gz VQVYQKWDKARYHZ-GJZGRUSLSA-N -1 0 347.846 3.625 20 0 EHADRM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C(F)(F)F ZINC000443936273 1024133269 /nfs/dbraw/zinc/13/32/69/1024133269.db2.gz PUNVGTBTDHUYFJ-CPCISQLKSA-N -1 0 347.761 3.734 20 0 EHADRM O=C(Nc1ncn(C2CCCCC2)n1)c1cc(F)cc(Cl)c1[O-] ZINC000182887158 1024139905 /nfs/dbraw/zinc/13/99/05/1024139905.db2.gz NLZIHBKPHHVZEN-UHFFFAOYSA-N -1 0 338.770 3.534 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])C(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000634815745 1024142273 /nfs/dbraw/zinc/14/22/73/1024142273.db2.gz HYISUIPYJDOQTM-KRWDZBQOSA-N -1 0 332.425 3.948 20 0 EHADRM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000520588684 1024167957 /nfs/dbraw/zinc/16/79/57/1024167957.db2.gz WRAJJQTUIFEDPQ-WBICIVBESA-N -1 0 347.430 3.846 20 0 EHADRM Cc1ccccc1S([O-])=CC(=O)N[C@H](C)c1ccccc1Cl ZINC000108090659 1024236728 /nfs/dbraw/zinc/23/67/28/1024236728.db2.gz ZYJQMRLJZQVXTE-DMZKTXOQSA-N -1 0 335.856 3.633 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)c2n[nH]cc21 ZINC000063635284 1024240953 /nfs/dbraw/zinc/24/09/53/1024240953.db2.gz YNBNTPVVCKAGLK-UHFFFAOYSA-N -1 0 335.816 3.634 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000320492135 1024341889 /nfs/dbraw/zinc/34/18/89/1024341889.db2.gz VYVHTIXPECXHCL-UHFFFAOYSA-N -1 0 335.787 3.722 20 0 EHADRM Cc1cccc(N=c2[n-]nc(SCCc3cccnc3)s2)c1 ZINC000509983958 1024343065 /nfs/dbraw/zinc/34/30/65/1024343065.db2.gz SNJYIWFWFQADBE-UHFFFAOYSA-N -1 0 328.466 3.742 20 0 EHADRM Cc1nc([C@@H](C)Sc2n[n-]c(=Nc3cccc(C)c3)s2)no1 ZINC000430097959 1024361329 /nfs/dbraw/zinc/36/13/29/1024361329.db2.gz RGJXJRSAVNOBCE-SECBINFHSA-N -1 0 333.442 3.557 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000033463641 1024410579 /nfs/dbraw/zinc/41/05/79/1024410579.db2.gz ALZWKJOSPQKSTA-CXAGYDPISA-N -1 0 327.380 3.708 20 0 EHADRM CC(C)[C@@H]1CCC[C@@H](NC(=O)N=c2[n-]nc(C(F)F)s2)CC1 ZINC000469656906 1024420130 /nfs/dbraw/zinc/42/01/30/1024420130.db2.gz VDNYTXNDKCJLBE-NXEZZACHSA-N -1 0 332.420 3.624 20 0 EHADRM CCc1ccccc1C(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC000434783378 1024422360 /nfs/dbraw/zinc/42/23/60/1024422360.db2.gz AELLCOIZDZTQCD-UHFFFAOYSA-N -1 0 325.408 3.756 20 0 EHADRM COc1cc(Cl)ccc1C(=O)Nc1cc(C)c(C)c(C(=O)[O-])c1 ZINC000320538281 1024442361 /nfs/dbraw/zinc/44/23/61/1024442361.db2.gz KBVQIOXMZUXBSZ-UHFFFAOYSA-N -1 0 333.771 3.916 20 0 EHADRM Cc1c(NC(=O)c2cc(F)cc(Cl)c2[O-])cnn1CCC(C)C ZINC000441732452 1024469985 /nfs/dbraw/zinc/46/99/85/1024469985.db2.gz VMSNBRMIGPJLDW-UHFFFAOYSA-N -1 0 339.798 3.988 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000425237700 1024490615 /nfs/dbraw/zinc/49/06/15/1024490615.db2.gz HLVYICARZUKXQN-VQIMIIECSA-N -1 0 339.435 3.548 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N[C@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000262233288 1024519100 /nfs/dbraw/zinc/51/91/00/1024519100.db2.gz SQFPCICHJFBVAY-IBGZPJMESA-N -1 0 341.382 3.724 20 0 EHADRM Cc1cccc(C)c1NCC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000909524654 1024647622 /nfs/dbraw/zinc/64/76/22/1024647622.db2.gz SZACOLHTEQJVIZ-HNNXBMFYSA-N -1 0 340.423 3.617 20 0 EHADRM O=C(N=c1nc(-c2ccccc2Cl)[n-]s1)[C@@H]1CC12CCCC2 ZINC000474278856 1024686479 /nfs/dbraw/zinc/68/64/79/1024686479.db2.gz XIRZAFKQBRGNGK-NSHDSACASA-N -1 0 333.844 3.799 20 0 EHADRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1cnc2ccccc2c1 ZINC000548609822 1024689175 /nfs/dbraw/zinc/68/91/75/1024689175.db2.gz SBBDVZYKLILCRP-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)c1 ZINC000435202477 1024697496 /nfs/dbraw/zinc/69/74/96/1024697496.db2.gz RUKKARPZPPFMSQ-UHFFFAOYSA-N -1 0 333.438 3.501 20 0 EHADRM Cc1n[n-]c(=NCc2ccc(OC(C)(C)C)cc2C(F)(F)F)o1 ZINC000342294835 1024744030 /nfs/dbraw/zinc/74/40/30/1024744030.db2.gz NLVXORQLJQESTR-UHFFFAOYSA-N -1 0 329.322 3.608 20 0 EHADRM Cc1ccc(OCc2ccccc2)c([N-]S(=O)(=O)c2ccoc2)c1 ZINC000507933635 1024781287 /nfs/dbraw/zinc/78/12/87/1024781287.db2.gz CMVGZVXDRMNLTP-UHFFFAOYSA-N -1 0 343.404 3.968 20 0 EHADRM C[C@H](NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1ccc(F)c(F)c1 ZINC000684713998 1024891225 /nfs/dbraw/zinc/89/12/25/1024891225.db2.gz SQQWQAFWEQUDFS-HZMBPMFUSA-N -1 0 342.386 3.605 20 0 EHADRM Cc1cc(Nc2cc(F)cnc2Br)cc(C(=O)[O-])c1 ZINC001211537349 1024904812 /nfs/dbraw/zinc/90/48/12/1024904812.db2.gz FNWRBLOVHXITAT-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM COC(=O)[C@H]1CC[C@H](C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)CC1 ZINC000281332201 1024907161 /nfs/dbraw/zinc/90/71/61/1024907161.db2.gz QBKGICCTWRVTJA-KYZUINATSA-N -1 0 346.210 3.617 20 0 EHADRM CCC(CC)(CC(=O)N[C@H](C)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000346580631 1024918741 /nfs/dbraw/zinc/91/87/41/1024918741.db2.gz JLBOHRJFHOPJND-SNVBAGLBSA-N -1 0 329.799 3.937 20 0 EHADRM CCCN(C(=O)N[C@H](C)c1cc2ccccc2o1)[C@@H](CC)C(=O)[O-] ZINC000684717662 1024940945 /nfs/dbraw/zinc/94/09/45/1024940945.db2.gz YLHBZOYRSBFLJT-OCCSQVGLSA-N -1 0 332.400 3.779 20 0 EHADRM CC(C)N(Cc1nc(=O)c2sccc2[n-]1)Cc1ccccc1F ZINC000346611241 1024952837 /nfs/dbraw/zinc/95/28/37/1024952837.db2.gz RHQKDTQHCPNHOS-UHFFFAOYSA-N -1 0 331.416 3.947 20 0 EHADRM CSc1cccc(NC(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000514987899 1024959224 /nfs/dbraw/zinc/95/92/24/1024959224.db2.gz JNDOURIQDPRUMQ-OAHLLOKOSA-N -1 0 330.409 3.698 20 0 EHADRM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)N=c2[n-]nc(-c3ccsc3)s2)C1 ZINC000474479478 1025017082 /nfs/dbraw/zinc/01/70/82/1025017082.db2.gz RCVSAFKDUUQQAO-OUAUKWLOSA-N -1 0 336.486 3.587 20 0 EHADRM CCCn1ccc2cc(NC(=O)N3CC[C@@H](C)C[C@@H]3C(=O)[O-])ccc21 ZINC000582040869 1025079289 /nfs/dbraw/zinc/07/92/89/1025079289.db2.gz XMDFWPZNHHNJES-CXAGYDPISA-N -1 0 343.427 3.768 20 0 EHADRM Cc1cccc(/C=C2\CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)c1C ZINC000520860890 1025096910 /nfs/dbraw/zinc/09/69/10/1025096910.db2.gz XHMYBVZKRBENBY-XNTDXEJSSA-N -1 0 346.386 3.656 20 0 EHADRM C[C@](CC(=O)Nc1cccc(Cl)c1F)(C(=O)[O-])c1ccccc1 ZINC000013254380 1025101468 /nfs/dbraw/zinc/10/14/68/1025101468.db2.gz JNALVYUGJMCRTJ-QGZVFWFLSA-N -1 0 335.762 3.850 20 0 EHADRM CC(C)(C(=O)[N-]OCc1ccccn1)c1cccc(C(F)(F)F)c1 ZINC000909531851 1025128546 /nfs/dbraw/zinc/12/85/46/1025128546.db2.gz WHRARZHAJBASJE-UHFFFAOYSA-N -1 0 338.329 3.626 20 0 EHADRM COc1cc(C)ccc1NC(=O)[C@](C)(CC(=O)[O-])c1ccc(F)cc1 ZINC000634818276 1025170884 /nfs/dbraw/zinc/17/08/84/1025170884.db2.gz GFDMJXSFOQNDFW-LJQANCHMSA-N -1 0 345.370 3.514 20 0 EHADRM CC[C@@H](CC1CCCCC1)C(=O)N=c1nc([C@H](C)OC)[n-]s1 ZINC000511066932 1025173641 /nfs/dbraw/zinc/17/36/41/1025173641.db2.gz ZRHYOJMBBWYOQY-AAEUAGOBSA-N -1 0 325.478 3.603 20 0 EHADRM CC(C)CC1(CNC(=O)N(CC(=O)[O-])[C@H](C)c2ccccc2)CC1 ZINC000684742981 1025184477 /nfs/dbraw/zinc/18/44/77/1025184477.db2.gz YTUKJNSUWJAAPM-OAHLLOKOSA-N -1 0 332.444 3.670 20 0 EHADRM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)CC1(C(=O)[O-])CCCCCC1 ZINC000237376805 1025218407 /nfs/dbraw/zinc/21/84/07/1025218407.db2.gz SFTNWWWBJIHKGL-RDTXWAMCSA-N -1 0 329.440 3.851 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc3c(n2)CCCC3)cc1Cl ZINC000431352765 1025222670 /nfs/dbraw/zinc/22/26/70/1025222670.db2.gz CXUUZJAHQOHRIA-UHFFFAOYSA-N -1 0 330.771 3.564 20 0 EHADRM COc1cc(CN=c2[n-]c(C(C)C)no2)ccc1OC1CCCC1 ZINC000346864950 1025239735 /nfs/dbraw/zinc/23/97/35/1025239735.db2.gz ABKMBYQCCQIOFS-UHFFFAOYSA-N -1 0 331.416 3.557 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)N2CCCCC[C@@H]2C(=O)[O-])c1 ZINC000684748021 1025247750 /nfs/dbraw/zinc/24/77/50/1025247750.db2.gz YIOMIGXGJARDML-QGZVFWFLSA-N -1 0 348.443 3.973 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N(CC)Cc2ccc(C)cc2)s1 ZINC000521190739 1025252487 /nfs/dbraw/zinc/25/24/87/1025252487.db2.gz PWTZWSNEFLQGBG-UHFFFAOYSA-N -1 0 332.473 3.665 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)N2CCCCC[C@@H]2C(=O)[O-])cc1 ZINC000684748594 1025258033 /nfs/dbraw/zinc/25/80/33/1025258033.db2.gz OAPCNVSZAYSYBJ-QGZVFWFLSA-N -1 0 348.443 3.973 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)c(C)c1 ZINC000436031648 1025316119 /nfs/dbraw/zinc/31/61/19/1025316119.db2.gz YKGATTONSVXVFZ-UHFFFAOYSA-N -1 0 339.420 3.561 20 0 EHADRM Cc1cc([N-]C(=O)c2nc([C@H](c3ccc(C)cc3)C(C)C)no2)no1 ZINC000685389443 1033280758 /nfs/dbraw/zinc/28/07/58/1033280758.db2.gz BJVZFRZGZCMIFJ-HNNXBMFYSA-N -1 0 340.383 3.715 20 0 EHADRM C[C@H](C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1cccc(Cl)c1 ZINC000521478448 1025413235 /nfs/dbraw/zinc/41/32/35/1025413235.db2.gz IHCJYCWAFNVSCF-JTQLQIEISA-N -1 0 342.786 3.573 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(OCC(C)C)c2)s1 ZINC000515632158 1025425893 /nfs/dbraw/zinc/42/58/93/1025425893.db2.gz MCOQBMKWDLWLGQ-UHFFFAOYSA-N -1 0 325.455 3.892 20 0 EHADRM CC(C)Oc1ncccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000515632489 1025426008 /nfs/dbraw/zinc/42/60/08/1025426008.db2.gz ZBUMMOYRMFSSBZ-UHFFFAOYSA-N -1 0 342.420 3.823 20 0 EHADRM CO[C@H](C)c1nc(=NC(=O)C[C@@H](C)c2ccc(C(C)C)cc2)s[n-]1 ZINC000511084694 1025450002 /nfs/dbraw/zinc/45/00/02/1025450002.db2.gz GFJHFQFVZIEXOV-CHWSQXEVSA-N -1 0 347.484 3.923 20 0 EHADRM CSc1ccc(NC(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000582159755 1025473454 /nfs/dbraw/zinc/47/34/54/1025473454.db2.gz IMRULVKOYUECCO-OAHLLOKOSA-N -1 0 330.409 3.698 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2ccc3ccoc3c2)c(C)c1C(=O)[O-] ZINC000442850861 1025520238 /nfs/dbraw/zinc/52/02/38/1025520238.db2.gz QAHGHOBOZNQXFN-UHFFFAOYSA-N -1 0 345.376 3.549 20 0 EHADRM O=C(Nc1ccc(F)cc1F)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000436273750 1025543797 /nfs/dbraw/zinc/54/37/97/1025543797.db2.gz KHRLLEHXBZJWDA-UHFFFAOYSA-N -1 0 349.724 3.762 20 0 EHADRM Cc1cc(C([O-])=C[S@@](=O)[C@H](C)c2ccc(Cl)cc2)c(C)n1C ZINC000521715900 1025618694 /nfs/dbraw/zinc/61/86/94/1025618694.db2.gz FCKIRWQYQCNXKB-MCMMXHMISA-N -1 0 337.872 3.988 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N(Cc2cccc(C)c2)CC(C)C)s1 ZINC000521823894 1025713589 /nfs/dbraw/zinc/71/35/89/1025713589.db2.gz SRFAVMQUWBURRF-UHFFFAOYSA-N -1 0 346.500 3.911 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2scnc2C2CC2)sc1Cl ZINC000530382696 1025718304 /nfs/dbraw/zinc/71/83/04/1025718304.db2.gz KRPNXBMGQCWCOS-UHFFFAOYSA-N -1 0 334.875 3.845 20 0 EHADRM CC1(C)Cc2cccc(NC(=O)CC3(C(=O)[O-])CCCCC3)c2O1 ZINC000530382383 1025719156 /nfs/dbraw/zinc/71/91/56/1025719156.db2.gz VDYYSACXVLFBJS-UHFFFAOYSA-N -1 0 331.412 3.764 20 0 EHADRM O=C([O-])c1cc(C(=O)N2CCCCC[C@H]2/C=C\c2cccs2)no1 ZINC000909559824 1025723596 /nfs/dbraw/zinc/72/35/96/1025723596.db2.gz LGJAACZUHIOMSU-KRZKBDHCSA-N -1 0 346.408 3.533 20 0 EHADRM CC(C)Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000515931431 1025763921 /nfs/dbraw/zinc/76/39/21/1025763921.db2.gz CSLJTXKVFOGQDB-UHFFFAOYSA-N -1 0 325.817 3.928 20 0 EHADRM CCCC[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000347256188 1025764444 /nfs/dbraw/zinc/76/44/44/1025764444.db2.gz GDECTHBDFHWONS-MJBXVCDLSA-N -1 0 343.345 3.569 20 0 EHADRM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1cc(Cl)c([O-])cc1F ZINC000286701284 1025764873 /nfs/dbraw/zinc/76/48/73/1025764873.db2.gz JBNDMSCWAVVPGU-ZETCQYMHSA-N -1 0 325.771 3.657 20 0 EHADRM COC(C)(C)CS(=O)(=O)[N-]c1ccccc1Oc1ccc(C)cc1 ZINC000436478875 1025775390 /nfs/dbraw/zinc/77/53/90/1025775390.db2.gz OCORRHKYMJCJAN-UHFFFAOYSA-N -1 0 349.452 3.954 20 0 EHADRM CCCC[C@H](NC(=O)c1cccc(OCc2cccs2)c1)C(=O)[O-] ZINC000347271864 1025778254 /nfs/dbraw/zinc/77/82/54/1025778254.db2.gz VNLKGTQISGOCAW-INIZCTEOSA-N -1 0 347.436 3.700 20 0 EHADRM COc1cccc(C2(F)CCN(C(=O)c3c([O-])cccc3F)CC2)c1 ZINC000436494298 1025780121 /nfs/dbraw/zinc/78/01/21/1025780121.db2.gz LDFQABLDNYDSCZ-UHFFFAOYSA-N -1 0 347.361 3.641 20 0 EHADRM COc1cc(NC(=O)c2cc(F)c([O-])c(Cl)c2)c(C)c(OC)c1 ZINC000436483380 1025788159 /nfs/dbraw/zinc/78/81/59/1025788159.db2.gz CGMPPWRMPVSXPD-UHFFFAOYSA-N -1 0 339.750 3.763 20 0 EHADRM C[C@H]1C[C@]1(NC(=O)c1cc(F)c([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000436521009 1025824609 /nfs/dbraw/zinc/82/46/09/1025824609.db2.gz YREVYYXWBVQVSH-HUTHGQBESA-N -1 0 337.753 3.989 20 0 EHADRM Cc1csc(C(C)(C)NC(=O)c2cc(F)cc(Cl)c2[O-])n1 ZINC000436528314 1025833972 /nfs/dbraw/zinc/83/39/72/1025833972.db2.gz HAROQRRNPHRWDZ-UHFFFAOYSA-N -1 0 328.796 3.615 20 0 EHADRM CCCn1ncc([N-]S(=O)(=O)c2cc(C)ccc2C)c1C1CC1 ZINC000515987018 1025837609 /nfs/dbraw/zinc/83/76/09/1025837609.db2.gz VVYZLPOQNIMCBL-UHFFFAOYSA-N -1 0 333.457 3.588 20 0 EHADRM CN(CC(=O)OC(C)(C)C)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436533455 1025841119 /nfs/dbraw/zinc/84/11/19/1025841119.db2.gz JGLIWEIYDNHHAO-UHFFFAOYSA-N -1 0 349.814 3.613 20 0 EHADRM Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(-c2ccccc2)c(C)c1 ZINC000342491112 1025846186 /nfs/dbraw/zinc/84/61/86/1025846186.db2.gz NISZCJJESBNBKJ-UHFFFAOYSA-N -1 0 341.436 3.505 20 0 EHADRM CCCc1nnc(NC(=O)c2c([O-])cc(Cl)cc2Cl)s1 ZINC000436551601 1025856236 /nfs/dbraw/zinc/85/62/36/1025856236.db2.gz PKEHLTKZGBORBC-UHFFFAOYSA-N -1 0 332.212 3.755 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1cc(=O)[nH]c(C2CC2)n1)c1ccccc1 ZINC000522011987 1025871510 /nfs/dbraw/zinc/87/15/10/1025871510.db2.gz BDXDLKLLDVUPNH-INIZCTEOSA-N -1 0 325.412 3.577 20 0 EHADRM Cc1cccc(CN(C)C(=O)c2c([O-])cc(Cl)cc2Cl)n1 ZINC000436566566 1025893208 /nfs/dbraw/zinc/89/32/08/1025893208.db2.gz VQJDPXCIZOFSPP-UHFFFAOYSA-N -1 0 325.195 3.675 20 0 EHADRM C[C@@H](Cc1ccncc1)NC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436571947 1025902708 /nfs/dbraw/zinc/90/27/08/1025902708.db2.gz DNJKBZCNCYFJDQ-LBPRGKRZSA-N -1 0 340.810 3.955 20 0 EHADRM CC[C@H](CCO)CNC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436571696 1025903249 /nfs/dbraw/zinc/90/32/49/1025903249.db2.gz BVZJXRXGLMJYCD-CYBMUJFWSA-N -1 0 347.842 3.851 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)c2c([O-])cc(Cl)cc2Cl)CCS1 ZINC000436571767 1025903469 /nfs/dbraw/zinc/90/34/69/1025903469.db2.gz DSYPNHURODNJJC-LBPRGKRZSA-N -1 0 334.268 3.913 20 0 EHADRM COc1ccc(C[C@@H]2CCCN(C(=O)c3ccc(F)cc3[O-])C2)cc1 ZINC000436592594 1025907372 /nfs/dbraw/zinc/90/73/72/1025907372.db2.gz WRPAYRLAFZVICZ-HNNXBMFYSA-N -1 0 343.398 3.635 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2)c(Cl)c1 ZINC000121841632 1025908646 /nfs/dbraw/zinc/90/86/46/1025908646.db2.gz PTJYRGJRDOXYSE-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM Cc1ccc(C(C)(C)CN(C)C(=O)N=c2[n-]nc(C3CC3)s2)cc1 ZINC000582339201 1025913721 /nfs/dbraw/zinc/91/37/21/1025913721.db2.gz ARJBKRSGKDIDMH-UHFFFAOYSA-N -1 0 344.484 3.587 20 0 EHADRM O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1ccc(Cl)c(Cl)c1[O-] ZINC000436595504 1025913755 /nfs/dbraw/zinc/91/37/55/1025913755.db2.gz ITGKHBKEOROKPH-NJZAAPMLSA-N -1 0 334.202 3.767 20 0 EHADRM C[C@H]1N(C(=O)c2cc(Cl)c3ccccc3c2[O-])CCOC1(C)C ZINC000436597239 1025916933 /nfs/dbraw/zinc/91/69/33/1025916933.db2.gz PJSDMDJRPCDOJI-LLVKDONJSA-N -1 0 333.815 3.838 20 0 EHADRM C[C@H](NC(=O)c1ccc(F)cc1[O-])c1cccc(N2CCCC2)c1 ZINC000436585853 1025926006 /nfs/dbraw/zinc/92/60/06/1025926006.db2.gz RGMFVSWKTWIERA-ZDUSSCGKSA-N -1 0 328.387 3.623 20 0 EHADRM O=C(c1ccc(Cl)cc1[O-])N1CCN(CC2CC2)c2ccccc21 ZINC000436587636 1025927029 /nfs/dbraw/zinc/92/70/29/1025927029.db2.gz YXNBGAXNTLWDKB-UHFFFAOYSA-N -1 0 342.826 3.922 20 0 EHADRM C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436626328 1025955613 /nfs/dbraw/zinc/95/56/13/1025955613.db2.gz HECFSEYKEMOGRK-SVRRBLITSA-N -1 0 325.689 3.598 20 0 EHADRM CCSc1cc(C(=O)Nc2cc(C(=O)CC)ccc2[O-])ccn1 ZINC000436650714 1025977865 /nfs/dbraw/zinc/97/78/65/1025977865.db2.gz BHHKFNJIWITRRW-UHFFFAOYSA-N -1 0 330.409 3.744 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccn(C3CCCCC3)n2)c1 ZINC000436653601 1025979894 /nfs/dbraw/zinc/97/98/94/1025979894.db2.gz BEXOMZHEIHJABC-UHFFFAOYSA-N -1 0 341.411 3.939 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000262293509 1025983002 /nfs/dbraw/zinc/98/30/02/1025983002.db2.gz WIEGJQRJRPJIOX-OTWHNJEPSA-N -1 0 335.403 3.679 20 0 EHADRM O=C(Nc1csc(-c2ccncc2)n1)c1cc(Cl)ccc1[O-] ZINC000436674316 1026016912 /nfs/dbraw/zinc/01/69/12/1026016912.db2.gz RKNWIIWMORPGGK-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)c1 ZINC000436659431 1026020355 /nfs/dbraw/zinc/02/03/55/1026020355.db2.gz RDKHQJFUIBDZAS-IBGZPJMESA-N -1 0 339.391 3.544 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccnn2C(CC)CC)c1 ZINC000436659601 1026021265 /nfs/dbraw/zinc/02/12/65/1026021265.db2.gz SBEHRMYSAMQDRZ-UHFFFAOYSA-N -1 0 329.400 3.795 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ncccc2C(C)C)c1 ZINC000443418022 1026028752 /nfs/dbraw/zinc/02/87/52/1026028752.db2.gz MGFVCNLSUNRXIA-UHFFFAOYSA-N -1 0 341.436 3.862 20 0 EHADRM Cc1cc(NC(=O)C(=O)c2ccc(O)cc2)ccc1Oc1cccnc1 ZINC000436690960 1026048123 /nfs/dbraw/zinc/04/81/23/1026048123.db2.gz WHJRJBOZBIOJSW-UHFFFAOYSA-N -1 0 348.358 3.709 20 0 EHADRM O=C(Nc1ccc(N2CCCCC2)nc1)c1ccc([O-])c(Cl)c1 ZINC000436703637 1026066871 /nfs/dbraw/zinc/06/68/71/1026066871.db2.gz MIHICISVVZPNMF-UHFFFAOYSA-N -1 0 331.803 3.683 20 0 EHADRM Cc1cc(C)cc(Oc2ccc(NC(=O)CSCC(=O)[O-])cc2)c1 ZINC000582388960 1026067916 /nfs/dbraw/zinc/06/79/16/1026067916.db2.gz MKYNADQWZKNSNN-UHFFFAOYSA-N -1 0 345.420 3.852 20 0 EHADRM CCC[C@@]1(COC)CCCN1C(=O)c1ccc2ccccc2c1O ZINC000436727016 1026076399 /nfs/dbraw/zinc/07/63/99/1026076399.db2.gz ZZHUGUCDKOTJRW-FQEVSTJZSA-N -1 0 327.424 3.967 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cc(O)ccc2C(F)(F)F)c1 ZINC000436724414 1026099492 /nfs/dbraw/zinc/09/94/92/1026099492.db2.gz RSHYIBFALCWZNL-UHFFFAOYSA-N -1 0 339.269 3.572 20 0 EHADRM COCC(C)(C)CCCNC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000436736226 1026101477 /nfs/dbraw/zinc/10/14/77/1026101477.db2.gz NXOZCDLQEYNNCI-UHFFFAOYSA-N -1 0 334.243 3.882 20 0 EHADRM O=C(NC[C@H]1SCCc2ccccc21)c1ccc([O-])c(Cl)c1 ZINC000436729091 1026117425 /nfs/dbraw/zinc/11/74/25/1026117425.db2.gz FGICIHGNQVFVCD-MRXNPFEDSA-N -1 0 333.840 3.806 20 0 EHADRM COc1cc([C@@H](C)NC(=O)c2c([O-])cc(Cl)cc2Cl)ccn1 ZINC000436734768 1026126146 /nfs/dbraw/zinc/12/61/46/1026126146.db2.gz CLTBQUBVYZLEFU-MRVPVSSYSA-N -1 0 341.194 3.594 20 0 EHADRM COCc1ccc(CNC(=O)c2c([O-])cc(Cl)cc2Cl)cc1 ZINC000436754941 1026145213 /nfs/dbraw/zinc/14/52/13/1026145213.db2.gz KRPDGFXHQGHSET-UHFFFAOYSA-N -1 0 340.206 3.775 20 0 EHADRM O=S(=O)([N-]C[C@@H]1CCCCC1(F)F)c1c(F)cccc1Cl ZINC000451637854 1026192942 /nfs/dbraw/zinc/19/29/42/1026192942.db2.gz BWWDFJZHRJXWIM-VIFPVBQESA-N -1 0 341.782 3.583 20 0 EHADRM Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)c1C ZINC000614732262 1026235670 /nfs/dbraw/zinc/23/56/70/1026235670.db2.gz VLXZBQDKRAUAOT-UHFFFAOYSA-N -1 0 347.436 3.926 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2n[nH]c3ccccc32)cc1 ZINC000320537650 1026332219 /nfs/dbraw/zinc/33/22/19/1026332219.db2.gz QQWNQTSVSSVCER-GFCCVEGCSA-N -1 0 329.425 3.877 20 0 EHADRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(C(C)C)cc2)n1 ZINC000007752113 1026335338 /nfs/dbraw/zinc/33/53/38/1026335338.db2.gz UXBABMMVXROOPV-HNNXBMFYSA-N -1 0 342.420 3.608 20 0 EHADRM CC1(C)Cc2ccc(Cl)c([N-]S(=O)(=O)c3cccs3)c2O1 ZINC000582463260 1026340917 /nfs/dbraw/zinc/34/09/17/1026340917.db2.gz DHGWMWBLKUFBLF-UHFFFAOYSA-N -1 0 343.857 3.916 20 0 EHADRM CCn1nc(C(C)C)cc1C(=O)Nc1cc(C)c(C)c(C(=O)[O-])c1 ZINC000324900231 1026444941 /nfs/dbraw/zinc/44/49/41/1026444941.db2.gz NUZIQDHTUDEZRN-UHFFFAOYSA-N -1 0 329.400 3.594 20 0 EHADRM CC(C)Oc1ncccc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000511144865 1026468510 /nfs/dbraw/zinc/46/85/10/1026468510.db2.gz LIJVUKYWWHUCKW-UHFFFAOYSA-N -1 0 334.441 3.793 20 0 EHADRM CCc1ccccc1[N-]S(=O)(=O)c1cccc2ccc(C)nc21 ZINC000531009928 1026479808 /nfs/dbraw/zinc/47/98/08/1026479808.db2.gz DVCUGZNKVHBQFV-UHFFFAOYSA-N -1 0 326.421 3.906 20 0 EHADRM Cc1ccc(C[S@@](=O)[C@@H](CC(C)C)C(=O)[O-])cc1Br ZINC000582531291 1026507464 /nfs/dbraw/zinc/50/74/64/1026507464.db2.gz MKAZQRQBUCJNKH-ORAYPTAESA-N -1 0 347.274 3.506 20 0 EHADRM Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2cccc(F)c2F)s1 ZINC000122511502 1026518776 /nfs/dbraw/zinc/51/87/76/1026518776.db2.gz GTOWXGBDAGQOKG-UHFFFAOYSA-N -1 0 346.424 3.729 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2ccc(Cl)s2)ccc1Cl ZINC000193486914 1026529045 /nfs/dbraw/zinc/52/90/45/1026529045.db2.gz IIZBKDGLPYNMOQ-UHFFFAOYSA-N -1 0 338.237 3.864 20 0 EHADRM CC(C)NC(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000030994848 1026530798 /nfs/dbraw/zinc/53/07/98/1026530798.db2.gz BCGCYNAUIPCSHZ-UHFFFAOYSA-N -1 0 347.802 3.828 20 0 EHADRM Cc1cc(C)c(NS(=O)(=O)C[C@@H](C)c2ccccc2)c(C(=O)[O-])c1 ZINC000325177397 1026582432 /nfs/dbraw/zinc/58/24/32/1026582432.db2.gz ALBKCOYURKSQEE-CQSZACIVSA-N -1 0 347.436 3.547 20 0 EHADRM Cc1cc(Nc2c(N)ccc(Br)c2F)cc(C(=O)[O-])c1 ZINC001211548988 1026586477 /nfs/dbraw/zinc/58/64/77/1026586477.db2.gz CVNNOCIGWOCYEO-UHFFFAOYSA-N -1 0 339.164 3.921 20 0 EHADRM CC[C@@H](Cc1ccccc1)NC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000909579897 1026656583 /nfs/dbraw/zinc/65/65/83/1026656583.db2.gz KHLIWEYWAYZHQO-DZIBYMRMSA-N -1 0 329.440 3.549 20 0 EHADRM Cc1ccc2cccc(S(=O)(=O)[N-]c3cc(Cl)ccc3O)c2n1 ZINC000531247235 1026724202 /nfs/dbraw/zinc/72/42/02/1026724202.db2.gz LPFFHXQLBKBGHV-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM CCCn1ncc(NC(=O)c2cc(F)c([O-])c(Cl)c2)c1C1CC1 ZINC000452469645 1026768938 /nfs/dbraw/zinc/76/89/38/1026768938.db2.gz WOFJIAPRVQSTMR-UHFFFAOYSA-N -1 0 337.782 3.921 20 0 EHADRM C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000452646788 1026893780 /nfs/dbraw/zinc/89/37/80/1026893780.db2.gz PKRPMQYBJIQQNZ-CBAPKCEASA-N -1 0 339.716 3.988 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000237318171 1026927145 /nfs/dbraw/zinc/92/71/45/1026927145.db2.gz JQCSYQSKQQUEIZ-DUFXMDAXSA-N -1 0 344.238 3.542 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(c1ncnc3sc4ccccc4c31)CC2 ZINC000582124987 1026938690 /nfs/dbraw/zinc/93/86/90/1026938690.db2.gz BHSBUWRPWXFACA-LBPRGKRZSA-N -1 0 339.420 3.536 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c(C)n1 ZINC000531514802 1026998496 /nfs/dbraw/zinc/99/84/96/1026998496.db2.gz GULCIWXZZOVJRT-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2cc(C)c(F)cc2F)cc1C ZINC000342775591 1027009376 /nfs/dbraw/zinc/00/93/76/1027009376.db2.gz HAALSZDZOAOEFS-JTQLQIEISA-N -1 0 343.399 3.550 20 0 EHADRM CCO[C@H]1CCN(C(=O)c2c([O-])cc(Cl)cc2Cl)C[C@H]1C ZINC000452827785 1027046013 /nfs/dbraw/zinc/04/60/13/1027046013.db2.gz MBZCNNROWXCQSX-RNCFNFMXSA-N -1 0 332.227 3.586 20 0 EHADRM Cc1cc(=NC(=O)N([C@@H](C)c2ccc(Cl)cc2)C2CC2)[n-]nc1C ZINC000531563501 1027049152 /nfs/dbraw/zinc/04/91/52/1027049152.db2.gz ZAAUCSLUUCMRIL-ZDUSSCGKSA-N -1 0 344.846 3.926 20 0 EHADRM Cc1coc(-c2cccc(NS(=O)(=O)c3cccc(F)c3)c2)n1 ZINC000126819844 1027245172 /nfs/dbraw/zinc/24/51/72/1027245172.db2.gz IGHCYCBYKDCYHH-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM CCc1n[n-]c(=NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1 ZINC000453049122 1027261944 /nfs/dbraw/zinc/26/19/44/1027261944.db2.gz BUNHBAYIABMGTA-UHFFFAOYSA-N -1 0 339.239 3.704 20 0 EHADRM O=C([O-])Cn1ccc2cc(NC(=O)c3cccc4ncccc43)ccc21 ZINC000531746723 1027302424 /nfs/dbraw/zinc/30/24/24/1027302424.db2.gz UXRWPELPGVFPCT-UHFFFAOYSA-N -1 0 345.358 3.526 20 0 EHADRM Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(F)cc3[O-])CC2)cc1 ZINC000123485574 1027335271 /nfs/dbraw/zinc/33/52/71/1027335271.db2.gz ZSVBIDBXDDFXLL-UHFFFAOYSA-N -1 0 341.382 3.575 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1nc(C2CC2)cs1 ZINC000414442126 1027342541 /nfs/dbraw/zinc/34/25/41/1027342541.db2.gz PMRPICGXPGUWOI-UHFFFAOYSA-N -1 0 328.846 3.783 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CC[C@H](C)[C@H](C)C3)n2)cc1 ZINC000501614955 1027402219 /nfs/dbraw/zinc/40/22/19/1027402219.db2.gz KKXHURSOWNBSOT-LSDHHAIUSA-N -1 0 341.455 3.819 20 0 EHADRM CCc1ccc(/C=C(\C(=O)C(=O)[O-])c2ccc3ccccc3n2)cc1 ZINC000007587092 1027478526 /nfs/dbraw/zinc/47/85/26/1027478526.db2.gz QXPZIFVXZOTNHC-LGMDPLHJSA-N -1 0 331.371 3.992 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)cn1 ZINC000121312119 1027523550 /nfs/dbraw/zinc/52/35/50/1027523550.db2.gz ASNYZGFMOAJPGY-UHFFFAOYSA-N -1 0 348.371 3.803 20 0 EHADRM CN(C(=O)c1nn(-c2ccccc2)cc1[O-])C1CCC(C)(C)CC1 ZINC000153265704 1027624093 /nfs/dbraw/zinc/62/40/93/1027624093.db2.gz XAVHFDXKNOVLIZ-UHFFFAOYSA-N -1 0 327.428 3.619 20 0 EHADRM Cc1cc(N=c2nc(C3CC3)[n-]s2)cnc1N1CCCC[C@@H]1C ZINC000503285222 1027708607 /nfs/dbraw/zinc/70/86/07/1027708607.db2.gz XFJBHEBTNFTTDV-LBPRGKRZSA-N -1 0 329.473 3.663 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)c2occc2-c2ccc(F)cc2)s1 ZINC000503333228 1027727587 /nfs/dbraw/zinc/72/75/87/1027727587.db2.gz BRYMGMSCTMSKKA-UHFFFAOYSA-N -1 0 345.399 3.954 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)c2cccc(Cl)c2)s[n-]1 ZINC000472259697 1027735244 /nfs/dbraw/zinc/73/52/44/1027735244.db2.gz GQKVAVGYTHDMIL-UHFFFAOYSA-N -1 0 335.841 3.903 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@H](C)Cc1cccc(F)c1 ZINC000262531401 1027755453 /nfs/dbraw/zinc/75/54/53/1027755453.db2.gz PPIOGXKGVZEBEK-CYBMUJFWSA-N -1 0 329.371 3.958 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)Cc2cccc(Cl)c2)s[n-]1 ZINC000472263220 1027770234 /nfs/dbraw/zinc/77/02/34/1027770234.db2.gz YCFSINRDNZBSBT-UHFFFAOYSA-N -1 0 349.868 3.832 20 0 EHADRM CC(C)[C@H](Sc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])s1 ZINC000422563508 1027793420 /nfs/dbraw/zinc/79/34/20/1027793420.db2.gz GARKIACMPFAONZ-HNNXBMFYSA-N -1 0 349.477 3.879 20 0 EHADRM CC(C)C[C@H](NC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1)c1cccs1 ZINC000422587845 1027797530 /nfs/dbraw/zinc/79/75/30/1027797530.db2.gz JBFGGJCXPDBZMP-IHRRRGAJSA-N -1 0 338.473 3.588 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000422582323 1027808620 /nfs/dbraw/zinc/80/86/20/1027808620.db2.gz UEPLUZPWNCYFQM-CXAGYDPISA-N -1 0 335.403 3.583 20 0 EHADRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C1CC2(C1)CCCCC2 ZINC000665862602 1027848452 /nfs/dbraw/zinc/84/84/52/1027848452.db2.gz GUFGLDCFIFEMAU-UHFFFAOYSA-N -1 0 345.468 3.716 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CC[C@@H]2OCCC[C@H]2C1 ZINC000132065115 1027856313 /nfs/dbraw/zinc/85/63/13/1027856313.db2.gz ZGJALVHBQSGQSZ-SJCJKPOMSA-N -1 0 345.826 3.840 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1ccccc1SC(F)(F)F ZINC000321864540 1028013936 /nfs/dbraw/zinc/01/39/36/1028013936.db2.gz GEYRYMOKVABWEF-SMDDNHRTSA-N -1 0 347.358 3.672 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2sc3cc(F)ccc3c2Cl)C1 ZINC000328347491 1028024291 /nfs/dbraw/zinc/02/42/91/1028024291.db2.gz NWHDSVDZNULLFQ-APPZFPTMSA-N -1 0 341.791 3.677 20 0 EHADRM COc1cc(C)c(NC(=O)c2cc(F)c(F)c([O-])c2F)cc1C ZINC000444610439 1028075209 /nfs/dbraw/zinc/07/52/09/1028075209.db2.gz QISXBOMNLOOTPF-UHFFFAOYSA-N -1 0 325.286 3.687 20 0 EHADRM O=C([N-]c1nnc(C(F)F)s1)c1cc(-c2ccc(F)cc2)on1 ZINC000134919839 1028159512 /nfs/dbraw/zinc/15/95/12/1028159512.db2.gz BORPGSYBASBXMG-UHFFFAOYSA-N -1 0 340.286 3.522 20 0 EHADRM COc1cccc2ncnc(Nc3cc(Cl)cc(C(=O)[O-])c3)c21 ZINC001211962742 1028215867 /nfs/dbraw/zinc/21/58/67/1028215867.db2.gz OMHKNAYZABQPIV-UHFFFAOYSA-N -1 0 329.743 3.734 20 0 EHADRM CCc1c([N-]S(=O)(=O)c2cc(C)c(C)s2)cnn1CC(C)C ZINC000091019244 1028236435 /nfs/dbraw/zinc/23/64/35/1028236435.db2.gz QQPNCSPMJPTOTG-UHFFFAOYSA-N -1 0 341.502 3.581 20 0 EHADRM COc1cc(-c2noc([C@@H](C)SC)n2)cc(Br)c1O ZINC000445397752 1028297026 /nfs/dbraw/zinc/29/70/26/1028297026.db2.gz LSHIOBOQACPRJE-ZCFIWIBFSA-N -1 0 345.218 3.637 20 0 EHADRM CCC1(CC)CN(C(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])C1 ZINC000504020817 1028340459 /nfs/dbraw/zinc/34/04/59/1028340459.db2.gz CGFRFVYLNSTFNJ-UHFFFAOYSA-N -1 0 341.455 3.964 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ccccc2OCC(C)C)cc1C ZINC000614863319 1028363227 /nfs/dbraw/zinc/36/32/27/1028363227.db2.gz YKNHIIVTOMJJCF-UHFFFAOYSA-N -1 0 349.452 3.839 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)c(F)c1 ZINC000105387130 1028380328 /nfs/dbraw/zinc/38/03/28/1028380328.db2.gz ZPSRJXZWPXIVNM-UHFFFAOYSA-N -1 0 346.383 3.954 20 0 EHADRM Cc1ccc2nc(C)c(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)cc2c1 ZINC000237898248 1028389277 /nfs/dbraw/zinc/38/92/77/1028389277.db2.gz NUXNEGOIHOOTMK-HNNXBMFYSA-N -1 0 340.423 3.569 20 0 EHADRM CCOc1ccc([N+](=O)[O-])cc1/C=C/c1ncc(/C=C/C(=O)[O-])s1 ZINC000079943441 1028483348 /nfs/dbraw/zinc/48/33/48/1028483348.db2.gz HTDWBGMOSOUPOC-IUMFQGNOSA-N -1 0 346.364 3.718 20 0 EHADRM O=C(c1nn(-c2ccccc2)cc1[O-])N1CCC[C@H]1c1ccccc1 ZINC000073323096 1028551388 /nfs/dbraw/zinc/55/13/88/1028551388.db2.gz JAPDNMBTXDOIQE-KRWDZBQOSA-N -1 0 333.391 3.555 20 0 EHADRM CC(C)C[C@H](NC(=O)c1cncc(-c2ccc(Cl)cc2)c1)C(=O)[O-] ZINC000236639008 1028559467 /nfs/dbraw/zinc/55/94/67/1028559467.db2.gz STMSFRYZMUEEID-INIZCTEOSA-N -1 0 346.814 3.631 20 0 EHADRM CSc1nnc(-c2nc(=O)c3c4ccccc4sc3[n-]2)s1 ZINC000487510578 1028568930 /nfs/dbraw/zinc/56/89/30/1028568930.db2.gz GMBZMLZLSWKKNH-UHFFFAOYSA-N -1 0 332.435 3.791 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)C2(c3cccc(F)c3)CCCC2)C1 ZINC000238006433 1028573243 /nfs/dbraw/zinc/57/32/43/1028573243.db2.gz VZZXONLSQGJNAG-OAHLLOKOSA-N -1 0 347.430 3.741 20 0 EHADRM CCC(CC)(CNC(=O)CCCOc1ccc(Cl)cc1)C(=O)[O-] ZINC000236832021 1028591230 /nfs/dbraw/zinc/59/12/30/1028591230.db2.gz IYGHVLYHTJZXNA-UHFFFAOYSA-N -1 0 341.835 3.506 20 0 EHADRM CCOc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)ccc1C ZINC000236893879 1028593275 /nfs/dbraw/zinc/59/32/75/1028593275.db2.gz MLUXOMVYAORQBV-KRWDZBQOSA-N -1 0 341.407 3.648 20 0 EHADRM CCOc1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C ZINC000031666071 1028614277 /nfs/dbraw/zinc/61/42/77/1028614277.db2.gz AGEGNTNWEPZOEJ-UHFFFAOYSA-N -1 0 325.817 3.848 20 0 EHADRM CC[C@H](NC(=O)c1cccc(C(=O)[O-])c1)c1ccccc1OC(F)F ZINC000237052538 1028619578 /nfs/dbraw/zinc/61/95/78/1028619578.db2.gz HMPQOBSCVOGZSX-AWEZNQCLSA-N -1 0 349.333 3.867 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)c2cc3cc(C)ccc3o2)sc1C(=O)[O-] ZINC000237334379 1028647754 /nfs/dbraw/zinc/64/77/54/1028647754.db2.gz CGIZOUMXAAKPGW-SNVBAGLBSA-N -1 0 344.392 3.695 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)NCC1(C(F)(F)F)CCC1)C1CCCCC1 ZINC000504495627 1028689595 /nfs/dbraw/zinc/68/95/95/1028689595.db2.gz FUOOKHRLDBJAQQ-HNNXBMFYSA-N -1 0 349.393 3.897 20 0 EHADRM Cc1cc(=NC(=O)N2CCCC[C@H]2c2ccc(F)cc2F)[n-]nc1C ZINC000532723381 1028743098 /nfs/dbraw/zinc/74/30/98/1028743098.db2.gz XGQGVQOZUAAHIW-INIZCTEOSA-N -1 0 346.381 3.553 20 0 EHADRM CC[C@](C)(CC(=O)[O-])C(=O)NCc1ccc(C(F)(F)F)cc1C ZINC000634831430 1028773955 /nfs/dbraw/zinc/77/39/55/1028773955.db2.gz YOGWOTUUKWGDRE-OAHLLOKOSA-N -1 0 331.334 3.521 20 0 EHADRM C[C@H]1CCN(C(=O)N=c2nc(-c3ccccc3)[n-]s2)C[C@H](C)C1 ZINC000502864801 1028775325 /nfs/dbraw/zinc/77/53/25/1028775325.db2.gz WEOXRNRIAKYGNT-QWHCGFSZSA-N -1 0 330.457 3.527 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@H](CC(F)F)c2ccccc2)CCCC1 ZINC000421808139 1028791726 /nfs/dbraw/zinc/79/17/26/1028791726.db2.gz QSYDHQMKUMJKSW-CYBMUJFWSA-N -1 0 325.355 3.534 20 0 EHADRM C/C=C/c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000583105218 1028830121 /nfs/dbraw/zinc/83/01/21/1028830121.db2.gz SDJWVGQDTPKCFZ-ONEGZZNKSA-N -1 0 331.393 3.527 20 0 EHADRM COCc1cc(Cl)ccc1NC(=O)[C@](C)(CC(=O)[O-])CC(C)C ZINC000634843564 1028893386 /nfs/dbraw/zinc/89/33/86/1028893386.db2.gz PYJRGAWMNLEZOJ-KRWDZBQOSA-N -1 0 341.835 3.952 20 0 EHADRM CCOc1ccc(Cl)c(NC(=O)NCC(CC)(CC)C(=O)[O-])c1 ZINC000424390508 1029042921 /nfs/dbraw/zinc/04/29/21/1029042921.db2.gz NUEYVGAPSQRUSQ-UHFFFAOYSA-N -1 0 342.823 3.751 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)NCC2(c3ccccc3)CC2)s1 ZINC000503119268 1029063734 /nfs/dbraw/zinc/06/37/34/1029063734.db2.gz NQAIYAHULSDTNE-UHFFFAOYSA-N -1 0 344.484 3.717 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1ccc2c(c1)NC(=O)CCS2 ZINC000077012141 1029071230 /nfs/dbraw/zinc/07/12/30/1029071230.db2.gz OMFNVLZCNPRBQO-UHFFFAOYSA-N -1 0 348.811 3.732 20 0 EHADRM CC(C)c1ccc(NC(=O)C[C@]2(C(=O)[O-])CCOC2)c(C(C)C)c1 ZINC000634861474 1029107200 /nfs/dbraw/zinc/10/72/00/1029107200.db2.gz WTOFYIJYQFBYIB-LJQANCHMSA-N -1 0 333.428 3.753 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)c2cc(F)cc(C(F)(F)F)c2)s[n-]1 ZINC000445794567 1029129953 /nfs/dbraw/zinc/12/99/53/1029129953.db2.gz PQZRSMZZLFZQMT-UHFFFAOYSA-N -1 0 347.337 3.668 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)NCCCCCCCC(=O)[O-])cc1 ZINC000271942381 1029239397 /nfs/dbraw/zinc/23/93/97/1029239397.db2.gz GJDJDAPMWOGSEF-HNNXBMFYSA-N -1 0 335.444 3.730 20 0 EHADRM COc1ccc2c(CC(=O)NCCCCCCCC(=O)[O-])coc2c1 ZINC000271971710 1029253009 /nfs/dbraw/zinc/25/30/09/1029253009.db2.gz RDXWXHJXJXQCEG-UHFFFAOYSA-N -1 0 347.411 3.525 20 0 EHADRM CCc1ccc(CCNC(=O)c2c(C)ccc(C)c2C(=O)[O-])cc1 ZINC000634875336 1029258170 /nfs/dbraw/zinc/25/81/70/1029258170.db2.gz MTDOBRPBONWNJG-UHFFFAOYSA-N -1 0 325.408 3.537 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N[C@H](C)CCC(=O)[O-])c(F)c2)cc1 ZINC000237424491 1029287646 /nfs/dbraw/zinc/28/76/46/1029287646.db2.gz RWKBGSRKODUMKI-CYBMUJFWSA-N -1 0 329.371 3.784 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)Cc3ccco3)n2)c1 ZINC000154836115 1029335698 /nfs/dbraw/zinc/33/56/98/1029335698.db2.gz BRVRKMVJRIAZGH-UHFFFAOYSA-N -1 0 339.395 3.567 20 0 EHADRM Cc1cccc(-c2nc(CC(=O)[N-]OCCC(F)(F)F)cs2)c1 ZINC000162728542 1029346066 /nfs/dbraw/zinc/34/60/66/1029346066.db2.gz PUEUPSPVJVXQLO-UHFFFAOYSA-N -1 0 344.358 3.661 20 0 EHADRM CC(C)n1c(=N)[n-]nc1SCCc1cc(Cl)cc(Cl)c1 ZINC000446063228 1029356280 /nfs/dbraw/zinc/35/62/80/1029356280.db2.gz QGGNUSGLBINLFO-UHFFFAOYSA-N -1 0 331.272 3.913 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2O)c2ccccc12 ZINC000092259304 1029358228 /nfs/dbraw/zinc/35/82/28/1029358228.db2.gz LFXBGQGMCRHJQI-UHFFFAOYSA-N -1 0 343.404 3.663 20 0 EHADRM Cc1nn(C)c2ncc(/C=C\c3cc(C(=O)[O-])c4ccccc4n3)cc12 ZINC000255308683 1029366830 /nfs/dbraw/zinc/36/68/30/1029366830.db2.gz FTJKNYUZZSXSHG-FPLPWBNLSA-N -1 0 344.374 3.694 20 0 EHADRM O=C([O-])c1cc(/C=C\c2ccc(OCc3ccccc3)cc2)ncn1 ZINC000533124028 1029378257 /nfs/dbraw/zinc/37/82/57/1029378257.db2.gz TULTXPCYSFVKPV-TWGQIWQCSA-N -1 0 332.359 3.924 20 0 EHADRM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1ccc(F)cn1 ZINC000524633309 1029391848 /nfs/dbraw/zinc/39/18/48/1029391848.db2.gz IHUURLFQZMENBG-UHFFFAOYSA-N -1 0 336.432 3.936 20 0 EHADRM O=C([O-])CN(Cc1ccccc1)C(=O)c1cc2ccc(F)cc2s1 ZINC000692405433 1029414654 /nfs/dbraw/zinc/41/46/54/1029414654.db2.gz UODGOURAAJWRCK-UHFFFAOYSA-N -1 0 343.379 3.767 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000533197153 1029439925 /nfs/dbraw/zinc/43/99/25/1029439925.db2.gz KWUUUTHRFIOQII-HOTGVXAUSA-N -1 0 347.455 3.599 20 0 EHADRM CC[C@@H]1CO[C@H](C)CN1Cc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000320951916 1029452732 /nfs/dbraw/zinc/45/27/32/1029452732.db2.gz XYCACWSTNKFABZ-GHMZBOCLSA-N -1 0 337.416 3.738 20 0 EHADRM CCc1oc(C(=O)N2CCC[C@@H]2/C=C/c2ccccc2)cc1C(=O)[O-] ZINC000261734491 1029490887 /nfs/dbraw/zinc/49/08/87/1029490887.db2.gz YPDSUKSJPIIYIL-AUECHBEKSA-N -1 0 339.391 3.858 20 0 EHADRM Cc1ccc(F)cc1NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC000434230022 1029519498 /nfs/dbraw/zinc/51/94/98/1029519498.db2.gz YCNZOUYUXIWBCK-UHFFFAOYSA-N -1 0 343.333 3.725 20 0 EHADRM CC(C)C[C@](C)(CC(=O)[O-])C(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000634900070 1029528560 /nfs/dbraw/zinc/52/85/60/1029528560.db2.gz BYCKRGZZTNVITB-MAUKXSAKSA-N -1 0 339.476 3.512 20 0 EHADRM CC[C@H](CC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000262225639 1029573833 /nfs/dbraw/zinc/57/38/33/1029573833.db2.gz RRONECYWDMUMQK-DNVCBOLYSA-N -1 0 337.419 3.781 20 0 EHADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1cccc3ccccc31)C2 ZINC000262253531 1029575379 /nfs/dbraw/zinc/57/53/79/1029575379.db2.gz QCDFNVALEKNWCF-FTFYGEEPSA-N -1 0 349.430 3.657 20 0 EHADRM C[C@@H](CC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1cccc(F)c1 ZINC000262238674 1029575391 /nfs/dbraw/zinc/57/53/91/1029575391.db2.gz TZAGLVNTOIXTGQ-SCLBCKFNSA-N -1 0 341.382 3.530 20 0 EHADRM C[C@]1(C(=O)Nc2cc(Br)cc(Cl)c2[O-])CCCOC1 ZINC000272729503 1029584711 /nfs/dbraw/zinc/58/47/11/1029584711.db2.gz KODAVGMJMMWDFK-ZDUSSCGKSA-N -1 0 348.624 3.563 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)CCC1 ZINC000262465487 1029596307 /nfs/dbraw/zinc/59/63/07/1029596307.db2.gz GGMAFUSBDWSBRJ-SFHVURJKSA-N -1 0 341.382 3.676 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@@H]2CCCC[C@H]2Cc2ccccc2)CCC1 ZINC000262468716 1029596730 /nfs/dbraw/zinc/59/67/30/1029596730.db2.gz GPUZUSFGEHJRMO-DLBZAZTESA-N -1 0 329.440 3.549 20 0 EHADRM CC[C@@H](Cc1ccccc1)NC(=O)[C@@](C)(CC(=O)[O-])c1ccsc1 ZINC000634912314 1029604037 /nfs/dbraw/zinc/60/40/37/1029604037.db2.gz XWERTMXHDYYICR-LPHOPBHVSA-N -1 0 345.464 3.618 20 0 EHADRM Cc1cc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)sc1-c1ccc(F)cc1 ZINC000262732781 1029628017 /nfs/dbraw/zinc/62/80/17/1029628017.db2.gz UTPAHIJJVYKNQW-OCCSQVGLSA-N -1 0 347.411 3.846 20 0 EHADRM Cc1cc2cc(C(=O)N3CC[C@@](C(=O)[O-])(C(C)C)C3)oc2cc1C ZINC000262802809 1029637691 /nfs/dbraw/zinc/63/76/91/1029637691.db2.gz ANYKLMDMPZSISI-IBGZPJMESA-N -1 0 329.396 3.623 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccccc1OC(F)(F)F ZINC000525014357 1029651366 /nfs/dbraw/zinc/65/13/66/1029651366.db2.gz JYGVRLWLPCTALO-UHFFFAOYSA-N -1 0 337.344 3.756 20 0 EHADRM CC(C)(C)c1ccccc1C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000262936957 1029651703 /nfs/dbraw/zinc/65/17/03/1029651703.db2.gz PMCGWCODENCXFZ-MRXNPFEDSA-N -1 0 343.398 3.721 20 0 EHADRM CC[C@H](CC(=O)N1CC[C@](C(=O)[O-])(C(C)C)C1)c1ccc(C)cc1 ZINC000262943258 1029651826 /nfs/dbraw/zinc/65/18/26/1029651826.db2.gz KVMOZIDBZIWUGQ-OXQOHEQNSA-N -1 0 331.456 3.838 20 0 EHADRM C[C@@H](C(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1ccc(Cl)s1 ZINC000262992182 1029654402 /nfs/dbraw/zinc/65/44/02/1029654402.db2.gz SRJXZQAMCUGEGD-GHMZBOCLSA-N -1 0 329.849 3.751 20 0 EHADRM CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1sccc1C ZINC000525010717 1029656123 /nfs/dbraw/zinc/65/61/23/1029656123.db2.gz GURFKGAYJSWCFA-UHFFFAOYSA-N -1 0 325.455 3.955 20 0 EHADRM COCc1cc(NC(=O)c2cc3c(s2)CCCC3)cc(C(=O)[O-])c1 ZINC000263029589 1029658536 /nfs/dbraw/zinc/65/85/36/1029658536.db2.gz CACPAQDVYJXULG-UHFFFAOYSA-N -1 0 345.420 3.724 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2cccc(OC3CCCC3)c2)C1 ZINC000263029904 1029658632 /nfs/dbraw/zinc/65/86/32/1029658632.db2.gz BBUXTRNKDOPPGC-UONOGXRCSA-N -1 0 346.427 3.583 20 0 EHADRM CCC[C@@H](C(=O)Nc1ccc(C(=O)[O-])c(OC)c1)c1ccccc1 ZINC000263039448 1029659449 /nfs/dbraw/zinc/65/94/49/1029659449.db2.gz VOXZVHDKPZTXEQ-OAHLLOKOSA-N -1 0 327.380 3.916 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000263068953 1029663703 /nfs/dbraw/zinc/66/37/03/1029663703.db2.gz SVUDRATYOHXZTF-INIZCTEOSA-N -1 0 341.860 3.779 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)[C@H](C)CSc1ccc(F)cc1 ZINC000263129327 1029669195 /nfs/dbraw/zinc/66/91/95/1029669195.db2.gz XQTXQTAYJVFMBZ-PXAZEXFGSA-N -1 0 341.448 3.560 20 0 EHADRM CCC[C@H](CNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000263188756 1029671301 /nfs/dbraw/zinc/67/13/01/1029671301.db2.gz MIEJSDFXKVKDEO-OASPWFOLSA-N -1 0 344.238 3.714 20 0 EHADRM Cc1ccc(SC2(C(=O)N3CC[C@H](C(=O)[O-])[C@H]3C)CCCC2)cc1 ZINC000263177551 1029671564 /nfs/dbraw/zinc/67/15/64/1029671564.db2.gz LHZOBPPXEZIZAW-ZBFHGGJFSA-N -1 0 347.480 3.722 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000263209498 1029674228 /nfs/dbraw/zinc/67/42/28/1029674228.db2.gz NIGHYRAISIOPNS-JQWIXIFHSA-N -1 0 344.238 3.638 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000263261747 1029681387 /nfs/dbraw/zinc/68/13/87/1029681387.db2.gz UVDHMHKFLWRDDK-ALQDCCJHSA-N -1 0 337.419 3.655 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000263299265 1029684890 /nfs/dbraw/zinc/68/48/90/1029684890.db2.gz ZYEKJJQGDWQTIL-CYBMUJFWSA-N -1 0 329.371 3.894 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000263321765 1029687881 /nfs/dbraw/zinc/68/78/81/1029687881.db2.gz NQVCKLHINGLRGN-WMLDXEAASA-N -1 0 341.407 3.979 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)Cc2csc(C(C)(C)C)n2)cc1 ZINC000263332685 1029688751 /nfs/dbraw/zinc/68/87/51/1029688751.db2.gz QEFGOFOUJIIIEU-NSHDSACASA-N -1 0 346.452 3.810 20 0 EHADRM CC[C@@H](C)Oc1ccc(NC(=O)c2ccc(C(=O)[O-])c(C)n2)cc1 ZINC000263335136 1029689539 /nfs/dbraw/zinc/68/95/39/1029689539.db2.gz NFWGXILMQMHQFV-LLVKDONJSA-N -1 0 328.368 3.518 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000263410281 1029694782 /nfs/dbraw/zinc/69/47/82/1029694782.db2.gz GVCMDJKAKZBLHK-OLZOCXBDSA-N -1 0 337.847 3.668 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000263436727 1029698211 /nfs/dbraw/zinc/69/82/11/1029698211.db2.gz LPNREQNUITYWKX-ZJUUUORDSA-N -1 0 332.227 3.542 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)NC(C)(C)CCC(=O)[O-])ccc2o1 ZINC000263498262 1029703607 /nfs/dbraw/zinc/70/36/07/1029703607.db2.gz RVFDXVGFOOIIKU-UHFFFAOYSA-N -1 0 347.415 3.890 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)cc1 ZINC000263512464 1029705149 /nfs/dbraw/zinc/70/51/49/1029705149.db2.gz CTMKGHRRIOHXSP-AQNXPRMDSA-N -1 0 349.430 3.722 20 0 EHADRM Cc1nc(C=Cc2c(Cl)cccc2Cl)[nH]c(=O)c1CC(=O)[O-] ZINC000347383535 1029717650 /nfs/dbraw/zinc/71/76/50/1029717650.db2.gz OEVLIKMAHFCYGR-AATRIKPKSA-N -1 0 339.178 3.595 20 0 EHADRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1cc(C)sc1C ZINC000446642936 1029733613 /nfs/dbraw/zinc/73/36/13/1029733613.db2.gz RGQZBVKNOBOUIS-UHFFFAOYSA-N -1 0 343.495 3.896 20 0 EHADRM O=S(=O)([N-]Cc1ccc2ccccc2c1)c1c(F)cccc1F ZINC000525187615 1029733839 /nfs/dbraw/zinc/73/38/39/1029733839.db2.gz FGVKWFLCZCAFCI-UHFFFAOYSA-N -1 0 333.359 3.597 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccc3c(c2)C[C@@H](C)O3)c1 ZINC000615108265 1029741672 /nfs/dbraw/zinc/74/16/72/1029741672.db2.gz MEBJJMIVYMLEEJ-LLVKDONJSA-N -1 0 325.364 3.561 20 0 EHADRM CC(C)(C)c1n[n-]c(=N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)s1 ZINC000544413813 1029746370 /nfs/dbraw/zinc/74/63/70/1029746370.db2.gz MEIYHPGCNWKHDA-UONOGXRCSA-N -1 0 335.448 3.729 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cn1)c1csc2ccc(Cl)cc21 ZINC000080299191 1029790732 /nfs/dbraw/zinc/79/07/32/1029790732.db2.gz NXDJVZNSXUDXQO-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM Cc1ccc(-c2n[n-]c(=NCc3c(C)nn(C(C)(C)C)c3C)o2)s1 ZINC000446968130 1029874875 /nfs/dbraw/zinc/87/48/75/1029874875.db2.gz WHRDNFPNAZWJNY-UHFFFAOYSA-N -1 0 345.472 3.709 20 0 EHADRM CC[C@H](CNC(=O)c1c(C)ccc(C)c1C(=O)[O-])CC(F)(F)F ZINC000402517341 1029884292 /nfs/dbraw/zinc/88/42/92/1029884292.db2.gz JMVYVMUFJKHZSQ-NSHDSACASA-N -1 0 331.334 3.710 20 0 EHADRM O=S(=O)(Nc1cc(Cl)ccc1F)c1cccc2ncccc21 ZINC000120013370 1029905357 /nfs/dbraw/zinc/90/53/57/1029905357.db2.gz QUOSVDBWZBPTLQ-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000171013809 1029979833 /nfs/dbraw/zinc/97/98/33/1029979833.db2.gz NEQYAARJGCSIBC-VIFPVBQESA-N -1 0 345.342 3.612 20 0 EHADRM Cc1ccccc1O[C@H]1CC[N@H+](Cc2ccc(Cl)cc2C(=O)[O-])C1 ZINC001142656442 1030009903 /nfs/dbraw/zinc/00/99/03/1030009903.db2.gz GYCJKNJCAWRFIC-INIZCTEOSA-N -1 0 345.826 4.000 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)CC(C)(C)C)cc1OCC ZINC000042300383 1030015351 /nfs/dbraw/zinc/01/53/51/1030015351.db2.gz HRLUVPSWIBKAQR-UHFFFAOYSA-N -1 0 343.445 3.565 20 0 EHADRM CCc1ccc([C@H]2CCCCCN2C(=O)CC2(C(=O)[O-])CCC2)o1 ZINC000262339119 1030021737 /nfs/dbraw/zinc/02/17/37/1030021737.db2.gz AAJWDNVTKJZKHL-OAHLLOKOSA-N -1 0 333.428 3.931 20 0 EHADRM Cc1cc(CN=c2[n-]nc(-c3ccccc3)o2)ccc1Br ZINC000508592001 1030075354 /nfs/dbraw/zinc/07/53/54/1030075354.db2.gz ZMKSCFPATZAMGA-UHFFFAOYSA-N -1 0 344.212 3.842 20 0 EHADRM COc1ncccc1CSc1n[n-]c(=Nc2cccc(F)c2)s1 ZINC000447362236 1030137932 /nfs/dbraw/zinc/13/79/32/1030137932.db2.gz DOAWNNRFEBJKLP-UHFFFAOYSA-N -1 0 348.428 3.539 20 0 EHADRM CCn1cc(C(=O)[N-]S(=O)(=O)c2ccc(C)s2)c2ccccc21 ZINC000042316860 1030147010 /nfs/dbraw/zinc/14/70/10/1030147010.db2.gz KZHQGHXJRBSDSR-UHFFFAOYSA-N -1 0 348.449 3.725 20 0 EHADRM Cn1ccnc1-c1cccc(NC(=O)c2cc(F)cc(Cl)c2[O-])c1 ZINC000121087697 1030179610 /nfs/dbraw/zinc/17/96/10/1030179610.db2.gz KLYIEPLZVHKFGI-UHFFFAOYSA-N -1 0 345.761 3.838 20 0 EHADRM CSc1ccc(O[C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000532001532 1030215940 /nfs/dbraw/zinc/21/59/40/1030215940.db2.gz DAUXKMGOGVQHPJ-LBPRGKRZSA-N -1 0 345.420 3.821 20 0 EHADRM Cc1cccc(CCC(=O)Nc2ccc3c(ccn3CC(=O)[O-])c2)c1 ZINC000532004409 1030219808 /nfs/dbraw/zinc/21/98/08/1030219808.db2.gz RDRJBLMAQKQZCF-UHFFFAOYSA-N -1 0 336.391 3.606 20 0 EHADRM CC[C@H](C)[C@@H](C)C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000431534096 1030238071 /nfs/dbraw/zinc/23/80/71/1030238071.db2.gz WGEISYUSFMAEPE-DAYGRLMNSA-N -1 0 341.451 3.882 20 0 EHADRM C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])C1 ZINC000447597036 1030334754 /nfs/dbraw/zinc/33/47/54/1030334754.db2.gz DCRUUCPEUXRZRG-JHJVBQTASA-N -1 0 347.846 3.738 20 0 EHADRM CCC[C@@H](NC(=O)N[C@@H](C)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000583652609 1030362721 /nfs/dbraw/zinc/36/27/21/1030362721.db2.gz HDKFHGIRSJFRNG-GZMMTYOYSA-N -1 0 333.215 3.607 20 0 EHADRM CCC[C@H](NC(=O)N[C@@H](C)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000583652611 1030365917 /nfs/dbraw/zinc/36/59/17/1030365917.db2.gz HDKFHGIRSJFRNG-KWQFWETISA-N -1 0 333.215 3.607 20 0 EHADRM Cc1ccccc1C([O-])=CS(=O)(=O)c1ccccc1C(F)(F)F ZINC000323282955 1030417729 /nfs/dbraw/zinc/41/77/29/1030417729.db2.gz JIAPEEIRPAOXAK-UHFFFAOYSA-N -1 0 342.338 3.670 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)N[C@H](CC3CC3)C(=O)[O-])ccc2o1 ZINC000583671666 1030418557 /nfs/dbraw/zinc/41/85/57/1030418557.db2.gz FXSJMCIHGUJMRR-CYBMUJFWSA-N -1 0 345.399 3.500 20 0 EHADRM Cc1cccc(OC(F)F)c1NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000520411928 1030435208 /nfs/dbraw/zinc/43/52/08/1030435208.db2.gz IUSGMXBESPMJMR-UHFFFAOYSA-N -1 0 341.354 3.816 20 0 EHADRM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1cc2sccc2s1 ZINC000526956743 1030508127 /nfs/dbraw/zinc/50/81/27/1030508127.db2.gz ILZIGALBPMDFLK-UHFFFAOYSA-N -1 0 343.389 3.558 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cc3cc(Cl)ccc3o2)CCCCC1 ZINC000532255722 1030522966 /nfs/dbraw/zinc/52/29/66/1030522966.db2.gz SBGGBFZNZARLNZ-UHFFFAOYSA-N -1 0 335.787 3.994 20 0 EHADRM Cc1cc(NC(=O)c2c([O-])cccc2Cl)cnc1Br ZINC000783625988 1030601711 /nfs/dbraw/zinc/60/17/11/1030601711.db2.gz IVTYCIRYGGQDSZ-UHFFFAOYSA-N -1 0 341.592 3.764 20 0 EHADRM CCSCC[C@H](C)Nc1ncnc2sc(C(=O)[O-])c(C)c21 ZINC000160282948 1030645864 /nfs/dbraw/zinc/64/58/64/1030645864.db2.gz GWYBXRARQJNAGQ-QMMMGPOBSA-N -1 0 325.459 3.642 20 0 EHADRM COc1ccc(CCCNC(=O)c2cc(F)c([O-])c(Cl)c2)cc1 ZINC000194476126 1030668659 /nfs/dbraw/zinc/66/86/59/1030668659.db2.gz VHGMUCICWCEUKA-UHFFFAOYSA-N -1 0 337.778 3.556 20 0 EHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000194214116 1030691890 /nfs/dbraw/zinc/69/18/90/1030691890.db2.gz ZYXPAQBTZYDLBB-UHFFFAOYSA-N -1 0 345.342 3.823 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(CCOc1ccc(F)cc1Cl)CC2 ZINC000566683377 1030698382 /nfs/dbraw/zinc/69/83/82/1030698382.db2.gz AWQVNJVSPUKVNK-UHFFFAOYSA-N -1 0 349.789 3.614 20 0 EHADRM CCCS(=O)(=O)[N-]c1nc(-c2ccc(OC)c(Cl)c2)cs1 ZINC000170995973 1030741634 /nfs/dbraw/zinc/74/16/34/1030741634.db2.gz MUAJCXLPTXBGCS-UHFFFAOYSA-N -1 0 346.861 3.624 20 0 EHADRM CC(C)[C@@H](NC(=O)N=c1ccc(C2CC2)n[n-]1)c1ccccc1Cl ZINC000448155695 1030779558 /nfs/dbraw/zinc/77/95/58/1030779558.db2.gz MSDCRNYRPMUADC-QGZVFWFLSA-N -1 0 344.846 3.948 20 0 EHADRM Cc1cc(C(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)ccc1Cl ZINC000583814889 1030823189 /nfs/dbraw/zinc/82/31/89/1030823189.db2.gz PTKLNUYVKHQBRW-IBGZPJMESA-N -1 0 343.810 3.517 20 0 EHADRM O=S(=O)(Cc1c(F)cccc1F)[N-]c1nc(C2CCC2)cs1 ZINC000278440560 1030855825 /nfs/dbraw/zinc/85/58/25/1030855825.db2.gz VXFRVYHEDSFVFI-UHFFFAOYSA-N -1 0 344.408 3.631 20 0 EHADRM COc1cccc(C(=O)/C(C#N)=C\c2cc(Cl)c([O-])c(OC)c2)c1 ZINC000212802062 1030897315 /nfs/dbraw/zinc/89/73/15/1030897315.db2.gz KOGLIHTXBLYRSX-MLPAPPSSSA-N -1 0 343.766 3.853 20 0 EHADRM CC(C)Sc1c(Cl)cccc1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000172811718 1031003596 /nfs/dbraw/zinc/00/35/96/1031003596.db2.gz ZFLSYYSNJDEIRW-NSHDSACASA-N -1 0 349.905 3.761 20 0 EHADRM CC[C@](CNC(=O)c1ccc(SC)cc1)(C(=O)[O-])c1ccccc1 ZINC000262897706 1031096954 /nfs/dbraw/zinc/09/69/54/1031096954.db2.gz COKVVJZHQKLZMM-LJQANCHMSA-N -1 0 343.448 3.571 20 0 EHADRM C[C@H]1CCC[C@H](CC(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)C1 ZINC000080292140 1031130832 /nfs/dbraw/zinc/13/08/32/1031130832.db2.gz LOYSPTPCBYLDGF-UWVGGRQHSA-N -1 0 346.430 3.518 20 0 EHADRM C[C@H](C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1)c1ccccc1 ZINC000648442963 1031136431 /nfs/dbraw/zinc/13/64/31/1031136431.db2.gz YWGRQLBCRIVOLC-HNNXBMFYSA-N -1 0 337.419 3.895 20 0 EHADRM CC(=CC(=O)[N-]S(=O)(=O)c1cccc(C)c1)c1ccc(F)cc1 ZINC000065643929 1031165667 /nfs/dbraw/zinc/16/56/67/1031165667.db2.gz AJCCCTVGXGIUAT-QBFSEMIESA-N -1 0 333.384 3.883 20 0 EHADRM COCc1n[n-]c(=N[C@@H](Cc2ccccc2)c2ccccc2)s1 ZINC000477001707 1031169782 /nfs/dbraw/zinc/16/97/82/1031169782.db2.gz MNJGZCFEHOPDGC-INIZCTEOSA-N -1 0 325.437 3.502 20 0 EHADRM CCN(Cc1cnc2c(cnn2C(C)C)c1)c1cccc(C(=O)[O-])c1 ZINC000583946285 1031184726 /nfs/dbraw/zinc/18/47/26/1031184726.db2.gz WBHFXDMXVJPHKB-UHFFFAOYSA-N -1 0 338.411 3.737 20 0 EHADRM O=C([O-])[C@H]1C[C@H](Nc2ccc(OC(F)(F)F)cn2)c2ccccc21 ZINC000650776235 1031247426 /nfs/dbraw/zinc/24/74/26/1031247426.db2.gz RMYWRZYVIQRTEG-STQMWFEESA-N -1 0 338.285 3.705 20 0 EHADRM Cc1ccc(-c2cccc(S(=O)(=O)CCCC(=O)[O-])c2)cc1C ZINC000568266021 1031270396 /nfs/dbraw/zinc/27/03/96/1031270396.db2.gz HBOAZYJPSREEDT-UHFFFAOYSA-N -1 0 332.421 3.609 20 0 EHADRM O=S(=O)([N-]c1ccc2ccccc2n1)c1cc(Cl)ccc1F ZINC000551384027 1031276540 /nfs/dbraw/zinc/27/65/40/1031276540.db2.gz NDCRRQBHDOJMRQ-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM COc1ccccc1-c1n[n-]c(=NCc2ccc(Cl)c(C)c2)o1 ZINC000551448420 1031343858 /nfs/dbraw/zinc/34/38/58/1031343858.db2.gz JNGRKCIWZJYTMS-UHFFFAOYSA-N -1 0 329.787 3.741 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc([C@H]3CCCOC3)cc2)cc1 ZINC000668268062 1031354440 /nfs/dbraw/zinc/35/44/40/1031354440.db2.gz FEAJNYAQMGMGHO-INIZCTEOSA-N -1 0 325.364 3.531 20 0 EHADRM O=C(Nc1nccn1-c1ccccc1)c1cc(F)c([O-])c(Cl)c1 ZINC000194709138 1031385079 /nfs/dbraw/zinc/38/50/79/1031385079.db2.gz HBQWZSSCVPCCHG-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM CO[C@@](C)(C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1)c1ccccc1F ZINC000668292438 1031408831 /nfs/dbraw/zinc/40/88/31/1031408831.db2.gz HCRZIRDCPSJKDN-HXPMCKFVSA-N -1 0 345.370 3.514 20 0 EHADRM Cc1ccc2c(C(=O)N=c3ccc(C(F)(F)F)n[n-]3)csc2c1 ZINC000484055057 1031436265 /nfs/dbraw/zinc/43/62/65/1031436265.db2.gz VXNBEUGCPXWULB-UHFFFAOYSA-N -1 0 337.326 3.693 20 0 EHADRM O=S(=O)([N-]c1csc2ccccc12)c1ccc(F)cc1F ZINC000484119703 1031457496 /nfs/dbraw/zinc/45/74/96/1031457496.db2.gz VFCZOUWUYKSLSR-UHFFFAOYSA-N -1 0 325.361 3.980 20 0 EHADRM Cc1cc2cc(C(=O)N=c3ccc(C(F)(F)F)n[n-]3)oc2cc1C ZINC000484133932 1031473919 /nfs/dbraw/zinc/47/39/19/1031473919.db2.gz AJDKNJDHLAPDIH-UHFFFAOYSA-N -1 0 335.285 3.533 20 0 EHADRM CCC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)cc(C)c2OC)cc1 ZINC000629316038 1031544230 /nfs/dbraw/zinc/54/42/30/1031544230.db2.gz GBPYETIDGGWLCY-UHFFFAOYSA-N -1 0 347.436 3.706 20 0 EHADRM CCSc1n[n-]c(=NC(=O)c2ccc(C(C)(C)C)s2)s1 ZINC000477448137 1031558013 /nfs/dbraw/zinc/55/80/13/1031558013.db2.gz ZSYUYRQINOAYAO-UHFFFAOYSA-N -1 0 327.500 3.683 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCOC2(C1)CCCCCC2 ZINC000194858115 1031572312 /nfs/dbraw/zinc/57/23/12/1031572312.db2.gz DIUGFOXUWIMMIA-UHFFFAOYSA-N -1 0 341.810 3.750 20 0 EHADRM CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000484447675 1031578456 /nfs/dbraw/zinc/57/84/56/1031578456.db2.gz ZKIFIWMKOVSAQY-UHFFFAOYSA-N -1 0 335.473 3.799 20 0 EHADRM CC[C@H](CNC(=O)N(C)C1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC000562380106 1031588129 /nfs/dbraw/zinc/58/81/29/1031588129.db2.gz RSUSPNITIFHBMW-OAHLLOKOSA-N -1 0 332.444 3.609 20 0 EHADRM CC[C@H](Cc1ccc(NCc2c(C)nn(C)c2Cl)cc1)C(=O)[O-] ZINC000904015841 1031603051 /nfs/dbraw/zinc/60/30/51/1031603051.db2.gz ZDHHOEFECOBIKO-CYBMUJFWSA-N -1 0 335.835 3.647 20 0 EHADRM C[C@@H](Sc1ccc(NCc2c(C3CCC3)cnn2C)cc1)C(=O)[O-] ZINC000904016857 1031606349 /nfs/dbraw/zinc/60/63/49/1031606349.db2.gz FMLMLINFHQNKTL-GFCCVEGCSA-N -1 0 345.468 3.865 20 0 EHADRM CN(C)c1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000477518578 1031625988 /nfs/dbraw/zinc/62/59/88/1031625988.db2.gz YPWZZIJLEICODS-UHFFFAOYSA-N -1 0 344.358 3.572 20 0 EHADRM CC[C@H]1CCC[C@H]1C(=O)Nc1ccc(-c2nc(C)cc(=O)[nH]2)cc1 ZINC000448796069 1031703156 /nfs/dbraw/zinc/70/31/56/1031703156.db2.gz QLGAGJJUJOJAPR-XJKSGUPXSA-N -1 0 325.412 3.510 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)c1 ZINC000475735032 1031707171 /nfs/dbraw/zinc/70/71/71/1031707171.db2.gz AXFFDWGMASQESG-UHFFFAOYSA-N -1 0 329.393 3.796 20 0 EHADRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccsc2)c1C1CC1 ZINC000551946513 1031785380 /nfs/dbraw/zinc/78/53/80/1031785380.db2.gz IZYNJKBSPLPLJP-JTQLQIEISA-N -1 0 325.459 3.594 20 0 EHADRM CC(C)Oc1ccc(S(=O)(=O)[N-]c2nc(C3CC3)cs2)cc1 ZINC000180125964 1031803593 /nfs/dbraw/zinc/80/35/93/1031803593.db2.gz CZLMQVRTRRNLBF-UHFFFAOYSA-N -1 0 338.454 3.609 20 0 EHADRM CC(C)c1nc2cc(N[C@@H]3C[C@@H](NC(=O)[O-])C34CCC4)ccc2o1 ZINC000904210879 1031834090 /nfs/dbraw/zinc/83/40/90/1031834090.db2.gz AINGSXCIQZBVRX-HUUCEWRRSA-N -1 0 329.400 3.942 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1Cl ZINC000181199227 1031951230 /nfs/dbraw/zinc/95/12/30/1031951230.db2.gz OQFFGHPZIPTTJU-UHFFFAOYSA-N -1 0 345.754 3.622 20 0 EHADRM CC(C)[C@@H](C)CC(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000455911403 1031959033 /nfs/dbraw/zinc/95/90/33/1031959033.db2.gz BQJMTLYHQLTILQ-IINYFYTJSA-N -1 0 331.334 3.787 20 0 EHADRM CCc1onc(C)c1[N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000134761629 1031990371 /nfs/dbraw/zinc/99/03/71/1031990371.db2.gz IVBMPZMRTFCFJV-UHFFFAOYSA-N -1 0 336.457 3.888 20 0 EHADRM Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N[C@H](C)[C@@H](C)C(=O)[O-] ZINC000448989633 1031998316 /nfs/dbraw/zinc/99/83/16/1031998316.db2.gz HBANKAVOXAYDFL-VXGBXAGGSA-N -1 0 346.452 3.574 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(OC3CCCCC3)cc2)CC[C@H]1C(=O)[O-] ZINC000448999817 1032007546 /nfs/dbraw/zinc/00/75/46/1032007546.db2.gz IXPBFXRIBYHZKM-RDTXWAMCSA-N -1 0 345.439 3.581 20 0 EHADRM Cc1nc(C(=O)N2CCC[C@H]2c2cccc(Cl)c2)ccc1C(=O)[O-] ZINC000448986702 1032018421 /nfs/dbraw/zinc/01/84/21/1032018421.db2.gz QMPLAQKJPUBYIM-INIZCTEOSA-N -1 0 344.798 3.719 20 0 EHADRM O=C(CC1CC(F)(F)C1)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000449859800 1033355370 /nfs/dbraw/zinc/35/53/70/1033355370.db2.gz XEDCDQSLEPLBAV-UHFFFAOYSA-N -1 0 343.786 3.654 20 0 EHADRM CC(=O)N[N-]C(=O)c1oc2ccccc2c1CSc1cccs1 ZINC000063464939 1033363107 /nfs/dbraw/zinc/36/31/07/1033363107.db2.gz BHFWQWFYSBJCJI-UHFFFAOYSA-N -1 0 346.433 3.568 20 0 EHADRM CC(C)(C)Cc1n[n-]c(=NCc2ccc(OC(F)F)c(Cl)c2)o1 ZINC000537490493 1033378155 /nfs/dbraw/zinc/37/81/55/1033378155.db2.gz MHSZRPUVMXPEPI-UHFFFAOYSA-N -1 0 345.777 3.947 20 0 EHADRM CCCCOc1cc(CN=c2[n-]nc(CC(C)(C)C)o2)ccc1OC ZINC000537490259 1033390162 /nfs/dbraw/zinc/39/01/62/1033390162.db2.gz DYOKEVVUEBVPMM-UHFFFAOYSA-N -1 0 347.459 3.880 20 0 EHADRM O=C([O-])c1cccc(/C=C2\COc3c(F)cccc3C2=O)c1Cl ZINC000188747069 1033429294 /nfs/dbraw/zinc/42/92/94/1033429294.db2.gz LSWNZFXDAITKKR-JXMROGBWSA-N -1 0 332.714 3.836 20 0 EHADRM O=S(=O)([N-][C@@H](CC1CC1)c1ccccc1)c1c(F)cccc1F ZINC000608036128 1033447413 /nfs/dbraw/zinc/44/74/13/1033447413.db2.gz NHFHALYYIGOXAP-INIZCTEOSA-N -1 0 337.391 3.785 20 0 EHADRM COc1cccc2c1OCC[C@H]2N=c1nc(-c2ccccc2)[n-]s1 ZINC000608082104 1033462254 /nfs/dbraw/zinc/46/22/54/1033462254.db2.gz ABSISPKLIZSOJC-CQSZACIVSA-N -1 0 339.420 3.571 20 0 EHADRM C[C@@H]1C[C@H]1c1nc(=O)c2sc(-c3ccc4c(c3)OCCO4)cc2[n-]1 ZINC000608102991 1033496414 /nfs/dbraw/zinc/49/64/14/1033496414.db2.gz UWDFVCMQDXMJMI-MWLCHTKSSA-N -1 0 340.404 3.546 20 0 EHADRM CCCCCc1n[n-]c(=NCc2coc(-c3ccccc3)n2)s1 ZINC000537505412 1033510722 /nfs/dbraw/zinc/51/07/22/1033510722.db2.gz ONVDDZAIFNDPFV-UHFFFAOYSA-N -1 0 328.441 3.960 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)nc1 ZINC000608258636 1033553239 /nfs/dbraw/zinc/55/32/39/1033553239.db2.gz WPKWKEASDLRRID-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM O=C(N=c1[n-]nc(C2CC2)s1)N[C@H](CC1CC1)c1ccccc1 ZINC000608263431 1033558804 /nfs/dbraw/zinc/55/88/04/1033558804.db2.gz RJXRZYHEBURJQA-CQSZACIVSA-N -1 0 328.441 3.500 20 0 EHADRM Cc1cccc([C@H](NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)C(C)C)c1 ZINC000529224327 1033626209 /nfs/dbraw/zinc/62/62/09/1033626209.db2.gz ATKVIYNSGRWMRV-MAUKXSAKSA-N -1 0 332.444 3.588 20 0 EHADRM Cc1occc1CNC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000608356193 1033630461 /nfs/dbraw/zinc/63/04/61/1033630461.db2.gz MASARMVIRRUGJJ-UHFFFAOYSA-N -1 0 339.395 3.533 20 0 EHADRM C[C@H]1CCN(C(=O)c2cccc(OC3CCCCC3)c2)C[C@H]1C(=O)[O-] ZINC000574878111 1033670347 /nfs/dbraw/zinc/67/03/47/1033670347.db2.gz PCFSJWNSIOWFTK-KBXCAEBGSA-N -1 0 345.439 3.581 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)N([C@@H](C)C(=O)[O-])C2CCC2)c1 ZINC000574867561 1033684070 /nfs/dbraw/zinc/68/40/70/1033684070.db2.gz OYGPTBZGLIFDNN-AWEZNQCLSA-N -1 0 348.443 3.971 20 0 EHADRM CN(C(=O)Nc1cccc(C(F)F)c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000574985644 1033751755 /nfs/dbraw/zinc/75/17/55/1033751755.db2.gz NFJWFIYWWMMRHR-CQSZACIVSA-N -1 0 334.322 3.914 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cnc3ccccc3c2)cc(C)c1F ZINC000460411507 1033751858 /nfs/dbraw/zinc/75/18/58/1033751858.db2.gz JPHZHTFMMIWCDY-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000550651758 1033824377 /nfs/dbraw/zinc/82/43/77/1033824377.db2.gz PUZIQKDBAUBTSF-XJKSGUPXSA-N -1 0 345.418 3.758 20 0 EHADRM CCC[C@@](C)(NC(=O)Nc1cccc(CC(F)(F)F)c1)C(=O)[O-] ZINC000575084143 1033870448 /nfs/dbraw/zinc/87/04/48/1033870448.db2.gz SYEOGPURDCHGOJ-CQSZACIVSA-N -1 0 332.322 3.556 20 0 EHADRM C[C@H](CNC(=O)c1cc(Br)cc(Cl)c1[O-])C1CC1 ZINC000608759577 1033871484 /nfs/dbraw/zinc/87/14/84/1033871484.db2.gz IFOGVPLTKLEVDK-SSDOTTSWSA-N -1 0 332.625 3.584 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nnc(C(C)(C)C)s2)c(Cl)c1 ZINC000083956287 1033899191 /nfs/dbraw/zinc/89/91/91/1033899191.db2.gz DOAKLPSERWNGBM-UHFFFAOYSA-N -1 0 345.877 3.598 20 0 EHADRM CC(C)c1nccc(Sc2n[n-]c(=Nc3ccccc3F)s2)n1 ZINC000599442916 1033927005 /nfs/dbraw/zinc/92/70/05/1033927005.db2.gz XTHXMFQSIXJJQJ-UHFFFAOYSA-N -1 0 347.444 3.907 20 0 EHADRM COC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000460445568 1033969554 /nfs/dbraw/zinc/96/95/54/1033969554.db2.gz TUFRBMLBEKXRSI-UHFFFAOYSA-N -1 0 347.436 3.706 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000599557208 1034012573 /nfs/dbraw/zinc/01/25/73/1034012573.db2.gz YABPMPBSMAEACD-LBPRGKRZSA-N -1 0 335.498 3.767 20 0 EHADRM CC[C@H]1c2ccccc2CCN1C(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000603922136 1034046383 /nfs/dbraw/zinc/04/63/83/1034046383.db2.gz KVUYUWMHHPHDND-IBGZPJMESA-N -1 0 332.403 3.678 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2scnc2C2CC2)cc1Cl ZINC000534236357 1034279324 /nfs/dbraw/zinc/27/93/24/1034279324.db2.gz UJAFWTPEGCYIAV-UHFFFAOYSA-N -1 0 328.846 3.783 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCC3(C)C)cc1O ZINC000529645552 1034339096 /nfs/dbraw/zinc/33/90/96/1034339096.db2.gz WTCUYLYDCFUYFD-UHFFFAOYSA-N -1 0 325.364 3.517 20 0 EHADRM O=C(c1cccc(Br)c1[O-])N1CCCc2ccccc21 ZINC000534295542 1034382126 /nfs/dbraw/zinc/38/21/26/1034382126.db2.gz IXQGWPJGROYTPL-UHFFFAOYSA-N -1 0 332.197 3.748 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)c1cccnc1Sc1ccccc1 ZINC000604707700 1034460766 /nfs/dbraw/zinc/46/07/66/1034460766.db2.gz HVQMQIMRMOIHOJ-UHFFFAOYSA-N -1 0 348.431 3.574 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000604709180 1034462188 /nfs/dbraw/zinc/46/21/88/1034462188.db2.gz WTOFPVUUOZFPTE-SNVBAGLBSA-N -1 0 333.844 3.549 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000604709179 1034462229 /nfs/dbraw/zinc/46/22/29/1034462229.db2.gz WTOFPVUUOZFPTE-JTQLQIEISA-N -1 0 333.844 3.549 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000604707846 1034462713 /nfs/dbraw/zinc/46/27/13/1034462713.db2.gz LMDKOEMLICCNDH-OLZOCXBDSA-N -1 0 347.340 3.537 20 0 EHADRM COc1cccc([C@@H]2CN(C(=O)c3ccc(O)c(F)c3)CC2(C)C)c1 ZINC000529727718 1034493987 /nfs/dbraw/zinc/49/39/87/1034493987.db2.gz JCLYNXDOZMKQLI-INIZCTEOSA-N -1 0 343.398 3.806 20 0 EHADRM CC[C@H](C(=O)N[C@H](CCC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000193450496 1034504784 /nfs/dbraw/zinc/50/47/84/1034504784.db2.gz KLKYTCWJWCYLSO-ZWKOTPCHSA-N -1 0 325.408 3.903 20 0 EHADRM O=C(Nc1ccc(Cl)cc1F)c1nn(-c2ccccc2)cc1[O-] ZINC000121248414 1034595464 /nfs/dbraw/zinc/59/54/64/1034595464.db2.gz AHUOZMLBIQDAKV-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](Nc2ccnc3cc(Br)ccc32)C1 ZINC000647459542 1034597393 /nfs/dbraw/zinc/59/73/93/1034597393.db2.gz MAIGLCADDCFLKQ-KOLCDFICSA-N -1 0 335.201 3.663 20 0 EHADRM CC[C@@]1(C)CCCN(C(=O)N=c2nc(-c3ccccc3)[n-]s2)C1 ZINC000475667802 1034631822 /nfs/dbraw/zinc/63/18/22/1034631822.db2.gz NFOGIAUYSNIPSZ-KRWDZBQOSA-N -1 0 330.457 3.671 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])c1cccc(Cl)c1Cl ZINC000605165270 1034642237 /nfs/dbraw/zinc/64/22/37/1034642237.db2.gz YEDZHDLXCFOVBM-DLOVCJGASA-N -1 0 342.222 3.838 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccc(Cl)s1)c1cc2c(s1)CCC2 ZINC000060496750 1034643457 /nfs/dbraw/zinc/64/34/57/1034643457.db2.gz BYQNWJSMBTUNDV-UHFFFAOYSA-N -1 0 347.870 3.645 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000605321791 1034695271 /nfs/dbraw/zinc/69/52/71/1034695271.db2.gz BWRBQKIXBNHYKQ-NEPJUHHUSA-N -1 0 337.803 3.733 20 0 EHADRM Cc1ccc(CCSc2n[n-]c(=NCc3ccco3)s2)cc1 ZINC000605446740 1034738544 /nfs/dbraw/zinc/73/85/44/1034738544.db2.gz WBFKBKYHDWLEOJ-UHFFFAOYSA-N -1 0 331.466 3.808 20 0 EHADRM COc1ccc2c(c1)oc(C(=O)N=c1cccn[n-]1)c2-c1ccccc1 ZINC000605471279 1034750729 /nfs/dbraw/zinc/75/07/29/1034750729.db2.gz LOZHOVVYNUJDAD-UHFFFAOYSA-N -1 0 345.358 3.573 20 0 EHADRM O=C(Nc1cccc(C2CCOCC2)c1)c1cc(F)c([O-])c(F)c1 ZINC000529935333 1034764748 /nfs/dbraw/zinc/76/47/48/1034764748.db2.gz LQJIPDHGOLPIFT-UHFFFAOYSA-N -1 0 333.334 3.817 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@H](C(=O)OC(C)(C)C)C(C)(C)C)c1 ZINC000597480135 1034765838 /nfs/dbraw/zinc/76/58/38/1034765838.db2.gz LUCSNVVWEJEWBF-OAHLLOKOSA-N -1 0 349.427 3.537 20 0 EHADRM N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)CCCC1CCCC1 ZINC000076759385 1034770960 /nfs/dbraw/zinc/77/09/60/1034770960.db2.gz OVYCAFRUAFWOIC-UHFFFAOYSA-N -1 0 334.441 3.705 20 0 EHADRM O=C(Nc1ccc(F)cc1)C1(C(=O)Nc2cccc(Cl)c2[O-])CC1 ZINC000605888257 1034838294 /nfs/dbraw/zinc/83/82/94/1034838294.db2.gz NDFNGCCIWSMFLA-UHFFFAOYSA-N -1 0 348.761 3.542 20 0 EHADRM CC(C)[C@@H](NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])c1ccccc1Cl ZINC000601980593 1034845600 /nfs/dbraw/zinc/84/56/00/1034845600.db2.gz AKSQXNHNLVKNQS-COPLHBTASA-N -1 0 343.876 3.748 20 0 EHADRM CCS[C@@H]1CCC[C@@H](NC(=O)c2c(C)ccc(C)c2C(=O)[O-])C1 ZINC000601987965 1034849664 /nfs/dbraw/zinc/84/96/64/1034849664.db2.gz CXAWTKIXQJCEAK-ZIAGYGMSSA-N -1 0 335.469 3.796 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)Nc1ccccc1CCC(F)(F)F)C(=O)[O-] ZINC000601985759 1034849756 /nfs/dbraw/zinc/84/97/56/1034849756.db2.gz CJXZBQBYTIMSKJ-UWVGGRQHSA-N -1 0 349.374 3.715 20 0 EHADRM COc1ccc([C@@H](NC(=O)CC2(CC(=O)[O-])CCCC2)C2CC2)cc1 ZINC000326839116 1034866584 /nfs/dbraw/zinc/86/65/84/1034866584.db2.gz KXWSOEPOLIYHEG-IBGZPJMESA-N -1 0 345.439 3.688 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)cc1 ZINC000511349055 1034896550 /nfs/dbraw/zinc/89/65/50/1034896550.db2.gz CAWPEKWBTVVTNN-UHFFFAOYSA-N -1 0 328.393 3.705 20 0 EHADRM O=S(=O)(CCC1CCCCC1)[N-]c1nnc(-c2ccco2)s1 ZINC000450976941 1034978541 /nfs/dbraw/zinc/97/85/41/1034978541.db2.gz SDYBEQSIMPYLJH-UHFFFAOYSA-N -1 0 341.458 3.510 20 0 EHADRM CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1sccc1Cl ZINC000450972238 1034998469 /nfs/dbraw/zinc/99/84/69/1034998469.db2.gz HSLIQOMOUJEIPM-UHFFFAOYSA-N -1 0 347.893 3.897 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCC=C(c2ccccc2)C1 ZINC000375957980 1035014777 /nfs/dbraw/zinc/01/47/77/1035014777.db2.gz OLRMXOWSOAEQQJ-UHFFFAOYSA-N -1 0 333.309 3.739 20 0 EHADRM C[C@@H]1CCC[C@H](C)N(C(=O)N=c2nc(-c3ccccc3)[n-]s2)C1 ZINC000475668475 1035037637 /nfs/dbraw/zinc/03/76/37/1035037637.db2.gz RQCFKRNFEBHDOK-OLZOCXBDSA-N -1 0 330.457 3.669 20 0 EHADRM O=C([O-])[C@@H]1c2ccoc2CCN1Cc1csc(-c2cccs2)n1 ZINC000530171670 1035042828 /nfs/dbraw/zinc/04/28/28/1035042828.db2.gz ZFGDTBXPCWBDDL-AWEZNQCLSA-N -1 0 346.433 3.649 20 0 EHADRM C[C@@H]1CC(F)(F)CCN1Cc1cc(Br)ccc1C(=O)[O-] ZINC000530173463 1035045991 /nfs/dbraw/zinc/04/59/91/1035045991.db2.gz PCKLNIOWQMPSLH-SECBINFHSA-N -1 0 348.187 3.767 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2sccc2Cl)cc1C ZINC000451026041 1035046288 /nfs/dbraw/zinc/04/62/88/1035046288.db2.gz DIDGQYJPVLJEMR-QMMMGPOBSA-N -1 0 333.866 3.678 20 0 EHADRM O=C(c1ccc2oc(=O)nc-2[n-]1)N1CCC[C@@H]1CCC1CCCCC1 ZINC000612578449 1035073442 /nfs/dbraw/zinc/07/34/42/1035073442.db2.gz OASZBBOGWPSXKR-CQSZACIVSA-N -1 0 343.427 3.894 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)NCc2ccc([C@H]3C[C@H]3C)o2)s1 ZINC000613001786 1035347225 /nfs/dbraw/zinc/34/72/25/1035347225.db2.gz YWZQZZHMGOSSFZ-MFKMUULPSA-N -1 0 348.472 3.902 20 0 EHADRM CO[C@H](C(=O)Nc1cc(Br)cc(Cl)c1[O-])C1CCC1 ZINC000613111840 1035404154 /nfs/dbraw/zinc/40/41/54/1035404154.db2.gz BNENCTVDFWQFFR-LBPRGKRZSA-N -1 0 348.624 3.562 20 0 EHADRM Cc1cccc(N=c2[n-]nc(SCCC3CCOCC3)s2)c1 ZINC000549013263 1035492951 /nfs/dbraw/zinc/49/29/51/1035492951.db2.gz SMAOJFKSKKNARZ-UHFFFAOYSA-N -1 0 335.498 3.921 20 0 EHADRM COc1ccc2oc([C@H](C)N=c3nc([C@@H](C)OC)[n-]s3)c(C)c2c1 ZINC000509710881 1035520074 /nfs/dbraw/zinc/52/00/74/1035520074.db2.gz HCUOIFXNZHRTIJ-WDEREUQCSA-N -1 0 347.440 3.904 20 0 EHADRM CCOc1cccc([N-]S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000463526096 1035585986 /nfs/dbraw/zinc/58/59/86/1035585986.db2.gz FDOKWSRYHAAFGF-UHFFFAOYSA-N -1 0 329.780 3.679 20 0 EHADRM C[C@H](CCOc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C1CCCCC1 ZINC000540706891 1035588649 /nfs/dbraw/zinc/58/86/49/1035588649.db2.gz RNCUMJQQDHTLFS-QAPCUYQASA-N -1 0 347.455 3.631 20 0 EHADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(SC)c(Cl)c1 ZINC000463514051 1035593583 /nfs/dbraw/zinc/59/35/83/1035593583.db2.gz PMGRYGBHOBILRV-UHFFFAOYSA-N -1 0 343.857 3.871 20 0 EHADRM CC(C)Cc1n[n-]c(=NCc2ccc(Cl)c(C(F)(F)F)c2)o1 ZINC000540792269 1035685751 /nfs/dbraw/zinc/68/57/51/1035685751.db2.gz OZVUFQFDJJVVHL-UHFFFAOYSA-N -1 0 333.741 3.974 20 0 EHADRM Cc1cc(C)c(CN=c2[n-]nc(Cc3ccccc3F)o2)c(C)c1 ZINC000540793319 1035686107 /nfs/dbraw/zinc/68/61/07/1035686107.db2.gz OOTOFUCJDSBLBE-UHFFFAOYSA-N -1 0 325.387 3.759 20 0 EHADRM Fc1cccc(Cc2n[n-]c(=NCc3cc(F)cc(F)c3)s2)c1 ZINC000540792022 1035686975 /nfs/dbraw/zinc/68/69/75/1035686975.db2.gz NSPCRMDIHJCSLH-UHFFFAOYSA-N -1 0 335.354 3.580 20 0 EHADRM CCCCc1n[n-]c(=NCc2cc(Cl)ccc2Br)o1 ZINC000540807309 1035701145 /nfs/dbraw/zinc/70/11/45/1035701145.db2.gz XQZRVMCUTYKKJY-UHFFFAOYSA-N -1 0 344.640 3.862 20 0 EHADRM c1ccc(-c2noc(=NC[C@H]3CCCO[C@H]3c3ccccc3)[n-]2)cc1 ZINC000588162335 1035735807 /nfs/dbraw/zinc/73/58/07/1035735807.db2.gz URKBXLMUZZMUKO-MSOLQXFVSA-N -1 0 335.407 3.738 20 0 EHADRM CC(C)c1ccccc1NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000178100519 1035740091 /nfs/dbraw/zinc/74/00/91/1035740091.db2.gz SYKGADIOXWRBPW-UHFFFAOYSA-N -1 0 339.420 3.588 20 0 EHADRM COc1ccc(C)cc1CNC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1 ZINC000588176232 1035801130 /nfs/dbraw/zinc/80/11/30/1035801130.db2.gz NBBGAQYHRRBDRY-FQEVSTJZSA-N -1 0 347.455 3.681 20 0 EHADRM CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000540928055 1035817258 /nfs/dbraw/zinc/81/72/58/1035817258.db2.gz GMDHWLDBZKKWQL-CJNGLKHVSA-N -1 0 345.418 3.758 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CCS[C@H]2CCCC[C@H]21 ZINC000571940016 1035841510 /nfs/dbraw/zinc/84/15/10/1035841510.db2.gz LUCBPXFVPLNFBQ-OLZOCXBDSA-N -1 0 345.386 3.911 20 0 EHADRM O=S(=O)([N-][C@H](C1CC1)C(F)(F)F)c1cccc(Cl)c1Cl ZINC000571955019 1035847269 /nfs/dbraw/zinc/84/72/69/1035847269.db2.gz WDUVGMHDXQLFIZ-SNVBAGLBSA-N -1 0 348.173 3.613 20 0 EHADRM CCc1ccccc1S(=O)(=O)Nc1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000187634332 1035851702 /nfs/dbraw/zinc/85/17/02/1035851702.db2.gz OBGFBVAOJJNGGB-ZDUSSCGKSA-N -1 0 347.436 3.628 20 0 EHADRM O=C(Nc1ccc(F)c(F)c1[O-])c1ccc(N2CCCCCC2)nc1 ZINC000457285042 1035915250 /nfs/dbraw/zinc/91/52/50/1035915250.db2.gz CIHHGCPVAHYBEM-UHFFFAOYSA-N -1 0 347.365 3.698 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OCC(F)F)c2)s1 ZINC000588631548 1035921506 /nfs/dbraw/zinc/92/15/06/1035921506.db2.gz FMOIEVPFAYOBLM-UHFFFAOYSA-N -1 0 347.408 3.810 20 0 EHADRM COc1ncc(-c2ccc3nc(C4CC4)c(C)c(C(=O)[O-])c3c2)cn1 ZINC000572015245 1035949510 /nfs/dbraw/zinc/94/95/10/1035949510.db2.gz JGHUFTMWMWAWRL-UHFFFAOYSA-N -1 0 335.363 3.584 20 0 EHADRM O=C([O-])c1csc(NC(=O)CCCOc2ccc(Cl)cc2)c1 ZINC000572223492 1036046623 /nfs/dbraw/zinc/04/66/23/1036046623.db2.gz RKXQFVGUTODLEA-UHFFFAOYSA-N -1 0 339.800 3.897 20 0 EHADRM O=S(=O)([N-]c1ccsc1)c1ccc(F)cc1C(F)(F)F ZINC000174734329 1036061780 /nfs/dbraw/zinc/06/17/80/1036061780.db2.gz HTILMBGGPWOPHJ-UHFFFAOYSA-N -1 0 325.308 3.707 20 0 EHADRM O=S(=O)([N-]c1cccc(CC(F)(F)F)c1)c1ccccc1F ZINC000174758999 1036078926 /nfs/dbraw/zinc/07/89/26/1036078926.db2.gz RMLHMCPOVOPTSE-UHFFFAOYSA-N -1 0 333.306 3.731 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)N(C)c3cccc(C(C)C)c3)cc2=O)cc1 ZINC000174766510 1036096976 /nfs/dbraw/zinc/09/69/76/1036096976.db2.gz KMRXYHSMFZFHOB-UHFFFAOYSA-N -1 0 349.434 3.874 20 0 EHADRM CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000032082226 1036143233 /nfs/dbraw/zinc/14/32/33/1036143233.db2.gz FTVHJHORVCNLKC-UHFFFAOYSA-N -1 0 331.437 3.889 20 0 EHADRM CC[C@@H](CNC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)CC(F)(F)F ZINC000402607322 1036181096 /nfs/dbraw/zinc/18/10/96/1036181096.db2.gz QAXPQNQABWDKDH-MLGOLLRUSA-N -1 0 345.361 3.514 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)C1CCCCC1 ZINC000170747462 1036195514 /nfs/dbraw/zinc/19/55/14/1036195514.db2.gz JIRZGYGLWDAGLU-GFCCVEGCSA-N -1 0 329.400 3.575 20 0 EHADRM c1ccc(Cc2n[n-]c(=NCCc3ccc4ccccc4n3)s2)cc1 ZINC000541347779 1036223206 /nfs/dbraw/zinc/22/32/06/1036223206.db2.gz OZGCZFLPDNMDGO-UHFFFAOYSA-N -1 0 346.459 3.754 20 0 EHADRM CC(C)C[C@@H](C)n1nccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000589271450 1036334240 /nfs/dbraw/zinc/33/42/40/1036334240.db2.gz QXFDLMIPWYMEPX-GFCCVEGCSA-N -1 0 341.864 3.944 20 0 EHADRM COc1ccc([C@H]2CCCN2C(=O)CC2(C(=O)[O-])CCCCC2)cc1 ZINC000327341640 1036353192 /nfs/dbraw/zinc/35/31/92/1036353192.db2.gz BNIFVOXMDOFBTH-QGZVFWFLSA-N -1 0 345.439 3.784 20 0 EHADRM Cc1ccc(CCCC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)s1 ZINC000263148548 1036395925 /nfs/dbraw/zinc/39/59/25/1036395925.db2.gz HGWICWRYXLISCV-UHFFFAOYSA-N -1 0 335.400 3.784 20 0 EHADRM Cc1cc(C(=O)N=c2nc(C)[n-]s2)sc1-c1ccc(F)cc1 ZINC000464416680 1036421839 /nfs/dbraw/zinc/42/18/39/1036421839.db2.gz DEPWELVABGJDJX-UHFFFAOYSA-N -1 0 333.413 3.697 20 0 EHADRM O=S(=O)([N-]c1noc2cc(Cl)ccc21)c1c(F)cccc1F ZINC000572639746 1036442961 /nfs/dbraw/zinc/44/29/61/1036442961.db2.gz VHXTYUNMKVSJRL-UHFFFAOYSA-N -1 0 344.726 3.560 20 0 EHADRM O=C([O-])c1ccc2nc(/C=C/c3cn(-c4ccccc4)nn3)sc2c1 ZINC000761484665 1036454761 /nfs/dbraw/zinc/45/47/61/1036454761.db2.gz AAYOIAVOVBVBTA-VQHVLOKHSA-N -1 0 348.387 3.746 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccccc2)s1)c1cc(-c2ccccc2)no1 ZINC000491323574 1036548993 /nfs/dbraw/zinc/54/89/93/1036548993.db2.gz PQCXKLJYYIEUOW-UHFFFAOYSA-N -1 0 348.387 3.534 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)COc1cccc2ccccc21 ZINC000013169922 1036552908 /nfs/dbraw/zinc/55/29/08/1036552908.db2.gz YBMOXYFHCNIBMA-UHFFFAOYSA-N -1 0 335.359 3.864 20 0 EHADRM Cc1ccc(S[C@H](C)C(=O)N=c2nc(C(C)(C)C)[n-]s2)cc1 ZINC000589936262 1036667203 /nfs/dbraw/zinc/66/72/03/1036667203.db2.gz MYSQICZEGRSYPY-LLVKDONJSA-N -1 0 335.498 3.685 20 0 EHADRM O=S(=O)([N-][C@@H](C1CCCC1)C(F)(F)F)c1cc2ccccc2o1 ZINC000541827400 1036681077 /nfs/dbraw/zinc/68/10/77/1036681077.db2.gz GBHMIZQIEXOFJU-AWEZNQCLSA-N -1 0 347.358 3.832 20 0 EHADRM CO[C@H](C)c1nsc([N-]c2ccn([C@H](C)c3ccccc3)n2)n1 ZINC000669823867 1036766576 /nfs/dbraw/zinc/76/65/76/1036766576.db2.gz ZJRZPDYQPJLFGU-VXGBXAGGSA-N -1 0 329.429 3.795 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)CCCOCc2ccccc2)c1 ZINC000263331975 1036791000 /nfs/dbraw/zinc/79/10/00/1036791000.db2.gz QDXGHTBKORPUMK-HNNXBMFYSA-N -1 0 341.407 3.810 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000263345108 1036805376 /nfs/dbraw/zinc/80/53/76/1036805376.db2.gz TUZJKJPYAIHYCW-YOEHRIQHSA-N -1 0 341.407 3.979 20 0 EHADRM Cc1cccc([C@@H]([N-]S(=O)(=O)CCC(C)(C)C)C(F)(F)F)c1 ZINC000541903869 1036806106 /nfs/dbraw/zinc/80/61/06/1036806106.db2.gz MHRQFWVDQUUQFC-CYBMUJFWSA-N -1 0 337.407 3.954 20 0 EHADRM C[C@@H](NC(=O)c1ccc(SCc2ccccc2)cc1)[C@H](C)C(=O)[O-] ZINC000263437332 1036913730 /nfs/dbraw/zinc/91/37/30/1036913730.db2.gz LSGGEVAYVPLBSR-UONOGXRCSA-N -1 0 343.448 3.818 20 0 EHADRM CC(C)c1nc(/C=C\c2ccnn2C2CCCC2)ncc1C(=O)[O-] ZINC000572932491 1036920097 /nfs/dbraw/zinc/92/00/97/1036920097.db2.gz XSQABOMNLDDMNV-FPLPWBNLSA-N -1 0 326.400 3.780 20 0 EHADRM C[C@@H](C(=O)N1CCC[C@@](C)(C(=O)[O-])C1)c1c(Cl)cccc1Cl ZINC000666368262 1036928070 /nfs/dbraw/zinc/92/80/70/1036928070.db2.gz XJCJSJFHQAJDRO-QLJPJBMISA-N -1 0 344.238 3.810 20 0 EHADRM C[C@@H](NC(=O)c1cc(C2CC2)nc2ccc(Cl)cc21)[C@@H](C)C(=O)[O-] ZINC000263475106 1036962513 /nfs/dbraw/zinc/96/25/13/1036962513.db2.gz SPOIXJBQWFUCBK-NXEZZACHSA-N -1 0 346.814 3.605 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N1CCC(Oc2cc(C)ccc2C)CC1 ZINC000653282342 1036969163 /nfs/dbraw/zinc/96/91/63/1036969163.db2.gz XCUHGYHQUMCBJS-UHFFFAOYSA-N -1 0 347.455 3.564 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cccc2ccccc21)C1CCCCC1 ZINC000539606733 1036969984 /nfs/dbraw/zinc/96/99/84/1036969984.db2.gz PQQXZORQUJSVCR-SFHVURJKSA-N -1 0 325.408 3.993 20 0 EHADRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc3scnc3c2)cc1F ZINC000178119359 1037000353 /nfs/dbraw/zinc/00/03/53/1037000353.db2.gz FOWMKLGCNIFCCN-UHFFFAOYSA-N -1 0 340.376 3.684 20 0 EHADRM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2cnc(C)nc2)c1Cl ZINC000590695357 1037013214 /nfs/dbraw/zinc/01/32/14/1037013214.db2.gz NHQFRDIMDVGLHI-UHFFFAOYSA-N -1 0 346.239 3.509 20 0 EHADRM Cc1nc([C@H](C)NC(=O)c2cccc(C(F)F)c2)sc1C(=O)[O-] ZINC000263515466 1037030306 /nfs/dbraw/zinc/03/03/06/1037030306.db2.gz DNSZEHZXRHNWFN-QMMMGPOBSA-N -1 0 340.351 3.578 20 0 EHADRM Fc1ccc(Cc2n[n-]c(=NCc3ccc4ccccc4c3)o2)cc1 ZINC000539693766 1037083991 /nfs/dbraw/zinc/08/39/91/1037083991.db2.gz YQXWDKTVNWZWGI-UHFFFAOYSA-N -1 0 333.366 3.987 20 0 EHADRM CC[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc(C(C)C)c1)C(C)C ZINC000753611555 1037090867 /nfs/dbraw/zinc/09/08/67/1037090867.db2.gz UMZFJNYLPUCANE-AWEZNQCLSA-N -1 0 325.474 3.687 20 0 EHADRM CCCOc1c(CN=c2[n-]nc(C(C)C)s2)cccc1OCC ZINC000539709389 1037096989 /nfs/dbraw/zinc/09/69/89/1037096989.db2.gz KNRUWANOLGZKLX-UHFFFAOYSA-N -1 0 335.473 3.883 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1 ZINC000263557894 1037128411 /nfs/dbraw/zinc/12/84/11/1037128411.db2.gz ZRSGESWIDXWMRM-ZFWWWQNUSA-N -1 0 349.324 3.722 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])[S@](=O)Cc1csc(-c2ccsc2)n1 ZINC000590901670 1037130803 /nfs/dbraw/zinc/13/08/03/1037130803.db2.gz RDFXDQOZESDQQA-LAJNKCICSA-N -1 0 343.495 3.620 20 0 EHADRM C[C@@H]1CC[C@H](CNC(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)C1 ZINC000666545980 1037202808 /nfs/dbraw/zinc/20/28/08/1037202808.db2.gz ITPALNYSIHCKEV-CABCVRRESA-N -1 0 344.455 3.710 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)C(C)(C)Cc1cccc(Cl)c1 ZINC000753810750 1037218757 /nfs/dbraw/zinc/21/87/57/1037218757.db2.gz PSIDWVMHRRTKBB-UHFFFAOYSA-N -1 0 345.892 3.543 20 0 EHADRM O=C(Nc1ccc(N2CCCCC2)cc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000327655969 1037253151 /nfs/dbraw/zinc/25/31/51/1037253151.db2.gz FRBKRUHVGBRIGT-UHFFFAOYSA-N -1 0 341.367 3.543 20 0 EHADRM CC(C)Oc1cccc([C@H](C)NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)c1 ZINC000659119256 1037281931 /nfs/dbraw/zinc/28/19/31/1037281931.db2.gz NVMQLOGGPHCGQN-AWEZNQCLSA-N -1 0 345.439 3.686 20 0 EHADRM COc1ccc(NC(=O)c2c([O-])cc(Cl)cc2Cl)cc1OC ZINC000176961621 1037287930 /nfs/dbraw/zinc/28/79/30/1037287930.db2.gz PRXLKBVPIYVAJA-UHFFFAOYSA-N -1 0 342.178 3.969 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000659121200 1037301778 /nfs/dbraw/zinc/30/17/78/1037301778.db2.gz XXDYKLCQDKRUAF-NSHDSACASA-N -1 0 331.368 3.564 20 0 EHADRM CC(C)C[C@@H](C(=O)N(C)CCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000659121138 1037303144 /nfs/dbraw/zinc/30/31/44/1037303144.db2.gz QGPABKCMIJMRLS-OAHLLOKOSA-N -1 0 325.836 3.793 20 0 EHADRM CCCC[C@H](NC(=O)Nc1ccc(Br)c(C)c1)C(=O)[O-] ZINC000040536975 1037310457 /nfs/dbraw/zinc/31/04/57/1037310457.db2.gz GILISOJCWXUVBB-LBPRGKRZSA-N -1 0 343.221 3.522 20 0 EHADRM O=C(Nc1cccc(NC(=O)C2CC2)c1)c1cc(F)cc(Cl)c1[O-] ZINC000177031149 1037330736 /nfs/dbraw/zinc/33/07/36/1037330736.db2.gz SRNFWZYDRJPEGM-UHFFFAOYSA-N -1 0 348.761 3.786 20 0 EHADRM O=C(Nc1cccc(Oc2cnccn2)c1)c1cc(F)c([O-])c(F)c1 ZINC000177046039 1037338864 /nfs/dbraw/zinc/33/88/64/1037338864.db2.gz JFQYXBNGPMTXTR-UHFFFAOYSA-N -1 0 343.289 3.505 20 0 EHADRM CCC(CC)(NC(=O)Nc1ccc(-c2csc(C)n2)cc1)C(=O)[O-] ZINC000573187604 1037349419 /nfs/dbraw/zinc/34/94/19/1037349419.db2.gz WLTKJENJGFNWBS-UHFFFAOYSA-N -1 0 347.440 3.883 20 0 EHADRM CC(C)Oc1cccc([C@H](C)NC(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000177069128 1037349985 /nfs/dbraw/zinc/34/99/85/1037349985.db2.gz HFAOFPPZCOCXIC-NSHDSACASA-N -1 0 335.350 3.949 20 0 EHADRM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC000659139565 1037356713 /nfs/dbraw/zinc/35/67/13/1037356713.db2.gz FAIKUCLNMBOREJ-DZGCQCFKSA-N -1 0 345.414 3.565 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@@H](C)c1ccccc1OC(C)C ZINC000659140414 1037359434 /nfs/dbraw/zinc/35/94/34/1037359434.db2.gz NLTCJQYBUYDABT-NSHDSACASA-N -1 0 331.368 3.564 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@H](c1cccc(C)c1)C(F)(F)F ZINC000659147256 1037369120 /nfs/dbraw/zinc/36/91/20/1037369120.db2.gz KCNZHWFPKYLACF-CYBMUJFWSA-N -1 0 341.285 3.628 20 0 EHADRM CCCCCS(=O)(=O)[N-][C@H](CCc1ccccc1)C(F)(F)F ZINC000573254527 1037431518 /nfs/dbraw/zinc/43/15/18/1037431518.db2.gz KVYFGZAWJISABT-CQSZACIVSA-N -1 0 337.407 3.660 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)CC[C@H](C)c2ccccc2)n1 ZINC000659183893 1037435708 /nfs/dbraw/zinc/43/57/08/1037435708.db2.gz ZWHHMEGXPZMMMT-HOCLYGCPSA-N -1 0 343.427 3.831 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCc2ccccc2Cl)[C@@H]2CCCC[C@H]12 ZINC000659190289 1037446235 /nfs/dbraw/zinc/44/62/35/1037446235.db2.gz SSUYSZIHWOXVCF-BFYDXBDKSA-N -1 0 349.858 3.765 20 0 EHADRM Cc1ccc(CCC(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)c(C)c1 ZINC000659196732 1037454607 /nfs/dbraw/zinc/45/46/07/1037454607.db2.gz XTKNQPVWXKHYSG-GBESFXJTSA-N -1 0 343.467 3.728 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc3c(c2)CCCC3)[C@H]2CCCC[C@@H]12 ZINC000659192755 1037459664 /nfs/dbraw/zinc/45/96/64/1037459664.db2.gz GYXYGIGRIHCGGR-OTWHNJEPSA-N -1 0 341.451 3.671 20 0 EHADRM CCc1sc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)cc1C ZINC000659193134 1037461956 /nfs/dbraw/zinc/46/19/56/1037461956.db2.gz IGCFXRQFVWGGKC-MELADBBJSA-N -1 0 335.469 3.724 20 0 EHADRM CC(C)[C@@H](C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)c1cccc(Cl)c1 ZINC000659224467 1037518661 /nfs/dbraw/zinc/51/86/61/1037518661.db2.gz HRMCUNLLAZOVDE-UHOFOFEASA-N -1 0 337.847 3.649 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccsc2)s1)c1ccc(C(F)F)cc1 ZINC000588032474 1037556532 /nfs/dbraw/zinc/55/65/32/1037556532.db2.gz JIQSODUZEIYADR-UHFFFAOYSA-N -1 0 337.376 3.878 20 0 EHADRM CC(C)(C(=O)N[C@@H]1CCC[C@]1(C)C(=O)[O-])c1ccc(Cl)cc1F ZINC000659240471 1037562719 /nfs/dbraw/zinc/56/27/19/1037562719.db2.gz BLSHALPKHWIEKF-DYVFJYSZSA-N -1 0 341.810 3.516 20 0 EHADRM CC(C)[C@H](Sc1ccccc1)C(=O)N[C@H]1CCC[C@]1(C)C(=O)[O-] ZINC000659238047 1037567801 /nfs/dbraw/zinc/56/78/01/1037567801.db2.gz MEDCBKVRXNFZLM-MPGHIAIKSA-N -1 0 335.469 3.563 20 0 EHADRM COc1cccc(S(=O)(=O)[N-]C(=O)c2ccc3ccccc3c2)c1 ZINC000058187533 1037569689 /nfs/dbraw/zinc/56/96/89/1037569689.db2.gz UBWMNWQIZIOXNW-UHFFFAOYSA-N -1 0 341.388 3.542 20 0 EHADRM CC(C)c1ccc(-c2noc(CN3CC[C@@H](C)C[C@H]3C(=O)[O-])n2)cc1 ZINC000573499388 1037590085 /nfs/dbraw/zinc/59/00/85/1037590085.db2.gz JJOXBPNNTQKDCN-CJNGLKHVSA-N -1 0 343.427 3.545 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nc3c(s2)CCCCC3)sc1C ZINC000540204209 1037680819 /nfs/dbraw/zinc/68/08/19/1037680819.db2.gz MZJWEDZYWIDTHF-UHFFFAOYSA-N -1 0 342.511 3.891 20 0 EHADRM CC(C)[C@@]1(CO)CCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C1 ZINC000378028728 1037704265 /nfs/dbraw/zinc/70/42/65/1037704265.db2.gz SKMYUGDZWPYOBH-IBGZPJMESA-N -1 0 347.842 3.679 20 0 EHADRM CC(C)(C)c1ccc(C2CCN(C(=O)N=c3[n-]ncs3)CC2)cc1 ZINC000454146065 1037713441 /nfs/dbraw/zinc/71/34/41/1037713441.db2.gz XTEDXVKVBJNABU-UHFFFAOYSA-N -1 0 344.484 3.669 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(Oc3ccnc4ccccc43)cc2)CC1 ZINC000181975179 1037714438 /nfs/dbraw/zinc/71/44/38/1037714438.db2.gz ANHHAPAMTGRQMJ-UHFFFAOYSA-N -1 0 348.358 3.830 20 0 EHADRM CCC1([N-]S(=O)(=O)c2onc(C3CC3)c2Cl)CCCCC1 ZINC001211918719 1037762380 /nfs/dbraw/zinc/76/23/80/1037762380.db2.gz CFKODBGOFIYUAT-UHFFFAOYSA-N -1 0 332.853 3.597 20 0 EHADRM Cc1cccc(CC(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)c1Cl ZINC000669434335 1037807691 /nfs/dbraw/zinc/80/76/91/1037807691.db2.gz PHPQRZNTOKJIFN-OAHLLOKOSA-N -1 0 343.810 3.796 20 0 EHADRM Cc1ccc2c(CC(=O)N3CC[C@H](C(=O)[O-])c4ccccc43)coc2c1 ZINC000669436785 1037862119 /nfs/dbraw/zinc/86/21/19/1037862119.db2.gz ICALGJDOEREPDV-KRWDZBQOSA-N -1 0 349.386 3.889 20 0 EHADRM CN(C)c1c(Cl)cccc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000183423904 1037948356 /nfs/dbraw/zinc/94/83/56/1037948356.db2.gz ULXSARAPNMCHLQ-UHFFFAOYSA-N -1 0 344.720 3.781 20 0 EHADRM CC(C)(CNC(=O)c1cc(F)c(F)c([O-])c1F)c1ccc(F)cc1 ZINC000183564558 1037956796 /nfs/dbraw/zinc/95/67/96/1037956796.db2.gz GYDIOUHEHXXXND-UHFFFAOYSA-N -1 0 341.304 3.656 20 0 EHADRM Cc1ccc(-c2n[n-]c(=NCc3ccc(F)c4cccnc34)o2)s1 ZINC000463252741 1037957532 /nfs/dbraw/zinc/95/75/32/1037957532.db2.gz UCUDLMNELAURRV-UHFFFAOYSA-N -1 0 340.383 3.828 20 0 EHADRM CC(C)OCc1ccccc1CNC(=O)c1cc(O)ccc1Cl ZINC000574004673 1037969875 /nfs/dbraw/zinc/96/98/75/1037969875.db2.gz PIIHDDFNEMNUKS-UHFFFAOYSA-N -1 0 333.815 3.901 20 0 EHADRM O=C([N-]c1c(F)cccc1F)c1nc(-c2ccc(F)c(F)c2)no1 ZINC001212171594 1038036653 /nfs/dbraw/zinc/03/66/53/1038036653.db2.gz XBUDUQYHGQKKNY-UHFFFAOYSA-N -1 0 337.232 3.545 20 0 EHADRM Cn1ccc2cccc(NC(=O)c3ccc(Br)c([O-])c3)c21 ZINC000188136238 1038109403 /nfs/dbraw/zinc/10/94/03/1038109403.db2.gz HEWUAHMUTLRZQQ-UHFFFAOYSA-N -1 0 345.196 3.899 20 0 EHADRM CC(C)c1nc(=NCc2nccn2CCCc2ccccc2)s[n-]1 ZINC000536537528 1038313712 /nfs/dbraw/zinc/31/37/12/1038313712.db2.gz SAGNBVJMIUNIMF-UHFFFAOYSA-N -1 0 341.484 3.525 20 0 EHADRM O=S(=O)([N-]c1cc(F)cc(F)c1)c1ccc(C(F)(F)F)s1 ZINC000461348796 1038342988 /nfs/dbraw/zinc/34/29/88/1038342988.db2.gz UURSQYIMCIOMSN-UHFFFAOYSA-N -1 0 343.298 3.846 20 0 EHADRM COc1ccc(CCc2n[n-]c(=NCc3ccc(C)cc3C)o2)cc1 ZINC000538506652 1038346496 /nfs/dbraw/zinc/34/64/96/1038346496.db2.gz NOWKDGKJDLGMQR-UHFFFAOYSA-N -1 0 337.423 3.514 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000416253699 1038425304 /nfs/dbraw/zinc/42/53/04/1038425304.db2.gz DMLHCKIBNHJAIY-CYBMUJFWSA-N -1 0 335.325 3.657 20 0 EHADRM CC(C)(C)c1n[n-]c(=NCc2c[nH]nc2-c2ccc(Cl)cc2)s1 ZINC000538609069 1038432918 /nfs/dbraw/zinc/43/29/18/1038432918.db2.gz RZVWOHAVIHBIBI-UHFFFAOYSA-N -1 0 347.875 3.913 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCC[C@@H](Oc2ccccc2)C1 ZINC000416269948 1038456531 /nfs/dbraw/zinc/45/65/31/1038456531.db2.gz INTVPWSQZWDVLP-OAHLLOKOSA-N -1 0 331.799 3.729 20 0 EHADRM COCC[C@@H](N=c1[n-]c(-c2cccc(Cl)c2)no1)c1ccc(C)o1 ZINC000538673108 1038465258 /nfs/dbraw/zinc/46/52/58/1038465258.db2.gz ISIAMXYEQLONSB-CQSZACIVSA-N -1 0 347.802 3.903 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N[C@@H]2c3ccccc3CC[C@H]2C)s1 ZINC000538702488 1038477727 /nfs/dbraw/zinc/47/77/27/1038477727.db2.gz PVZHTEIVPNIOSS-MFKMUULPSA-N -1 0 348.497 3.517 20 0 EHADRM O=C(Nc1cncc2ccccc21)c1cccc(Br)c1[O-] ZINC000538765162 1038528442 /nfs/dbraw/zinc/52/84/42/1038528442.db2.gz BJEBECUMMAJVMS-UHFFFAOYSA-N -1 0 343.180 3.955 20 0 EHADRM CCC(CC)(CNC(=O)C(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000236826102 1038561325 /nfs/dbraw/zinc/56/13/25/1038561325.db2.gz GFWALELBAFLEGC-UHFFFAOYSA-N -1 0 339.435 3.826 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cccs2)cnn1-c1cc(C)ccc1C ZINC000161820712 1038647713 /nfs/dbraw/zinc/64/77/13/1038647713.db2.gz LPZQHUXIXGGKMH-UHFFFAOYSA-N -1 0 347.465 3.660 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000431884208 1038738369 /nfs/dbraw/zinc/73/83/69/1038738369.db2.gz PFERAWAPNORBQA-MRXNPFEDSA-N -1 0 331.456 3.797 20 0 EHADRM Cc1noc2ncc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc12 ZINC000462103214 1038751037 /nfs/dbraw/zinc/75/10/37/1038751037.db2.gz NKJNZOIBMZHLFI-UHFFFAOYSA-N -1 0 345.424 3.630 20 0 EHADRM CCS[C@@H]1CCC[C@@H](NC(=O)Cc2ccc(O)c(Cl)c2)C1 ZINC000601278541 1038752388 /nfs/dbraw/zinc/75/23/88/1038752388.db2.gz VEZFRMFPHUBJRZ-CHWSQXEVSA-N -1 0 327.877 3.769 20 0 EHADRM CCC(F)(F)C(C)(C)CNC(=O)c1ccccc1CCC(=O)[O-] ZINC000910233102 1038777325 /nfs/dbraw/zinc/77/73/25/1038777325.db2.gz ZCQQTJWWPSWNSJ-UHFFFAOYSA-N -1 0 327.371 3.505 20 0 EHADRM C[C@@H](c1ccc(C(=O)N2[C@@H](C)CCC[C@H]2C(=O)[O-])cc1)C(F)(F)F ZINC000905273626 1038781614 /nfs/dbraw/zinc/78/16/14/1038781614.db2.gz QTWKZITYHCOCJC-MJVIPROJSA-N -1 0 343.345 3.820 20 0 EHADRM Cc1ccc2sc(C(=O)N3CC[C@H](C(=O)[O-])[C@H]4CCC[C@@H]43)cc2c1 ZINC000910246105 1038787021 /nfs/dbraw/zinc/78/70/21/1038787021.db2.gz MUPRUMQWVKGCDP-ILXRZTDVSA-N -1 0 343.448 3.925 20 0 EHADRM C[C@]1(C(F)(F)F)CCN(c2nc(C(F)(F)F)ccc2C(=O)[O-])C1 ZINC000910327361 1038848276 /nfs/dbraw/zinc/84/82/76/1038848276.db2.gz IRYGVPYEXMQEMU-NSHDSACASA-N -1 0 342.239 3.577 20 0 EHADRM Cc1nc(C2CCN(C(=O)/C=C3\CC[C@@H](C)C3)CC2)sc1C(=O)[O-] ZINC000910358067 1038852828 /nfs/dbraw/zinc/85/28/28/1038852828.db2.gz QDCHLKRVZKRBFF-BVRAVYJCSA-N -1 0 348.468 3.602 20 0 EHADRM Cc1nc(N[C@@H](C[C@@H]2CCOC2)c2ccccc2)ccc1C(=O)[O-] ZINC000910371377 1038868806 /nfs/dbraw/zinc/86/88/06/1038868806.db2.gz YFDSRQXRRHVORP-YOEHRIQHSA-N -1 0 326.396 3.668 20 0 EHADRM [O-]c1cnc(Cl)cc1-c1nc(-c2ccc(F)c(F)c2F)no1 ZINC001213940064 1038878752 /nfs/dbraw/zinc/87/87/52/1038878752.db2.gz LMNCGUZHMPEUTN-UHFFFAOYSA-N -1 0 327.649 3.575 20 0 EHADRM CC[C@H](C)CCC(=O)N1CCC(c2nc(C)c(C(=O)[O-])s2)CC1 ZINC000910356281 1038879433 /nfs/dbraw/zinc/87/94/33/1038879433.db2.gz FHSAJNDBDXTRMC-NSHDSACASA-N -1 0 338.473 3.682 20 0 EHADRM Cc1cc(C)c([N-]S(=O)(=O)c2c(Cl)nc3ccccn32)c(C)c1 ZINC000122963560 1038890062 /nfs/dbraw/zinc/89/00/62/1038890062.db2.gz SVQHNKAXXMFQNK-UHFFFAOYSA-N -1 0 349.843 3.714 20 0 EHADRM Cc1cccc(C)c1CS(=O)(=O)[N-][C@@H](c1ccccc1)C(F)F ZINC000549451737 1038914179 /nfs/dbraw/zinc/91/41/79/1038914179.db2.gz FYUCDKJRKMFGBG-INIZCTEOSA-N -1 0 339.407 3.729 20 0 EHADRM Cc1cccc2nc(N3CCC(C(=O)[O-])(C(F)(F)F)CC3)sc21 ZINC000910470471 1038930705 /nfs/dbraw/zinc/93/07/05/1038930705.db2.gz FPFXOVVAAQQAQX-UHFFFAOYSA-N -1 0 344.358 3.838 20 0 EHADRM CC[C@H](NC(=O)CCSCC(=O)[O-])c1cccc2ccccc21 ZINC000910567071 1038967957 /nfs/dbraw/zinc/96/79/57/1038967957.db2.gz BBZOFKOARKGSFG-INIZCTEOSA-N -1 0 331.437 3.615 20 0 EHADRM C[C@@H](NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-])c1cccc(SC(F)(F)F)c1 ZINC000910568621 1038968783 /nfs/dbraw/zinc/96/87/83/1038968783.db2.gz LJLXYQWRGBVVQA-FXAINCCUSA-N -1 0 347.358 3.587 20 0 EHADRM CC[C@H](NC(=O)N1CC2CC1(C(=O)[O-])C2)c1cccc2ccccc21 ZINC000905592792 1038980083 /nfs/dbraw/zinc/98/00/83/1038980083.db2.gz WWOIPKBJKIQZIZ-RNHGABITSA-N -1 0 338.407 3.550 20 0 EHADRM CC[C@@H](C)n1ncc(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)c1C1CC1 ZINC000910648630 1039003720 /nfs/dbraw/zinc/00/37/20/1039003720.db2.gz LSPXFCMPDWZXTC-GFCCVEGCSA-N -1 0 345.443 3.705 20 0 EHADRM O=C(NCc1cc2ccccc2[nH]1)c1cccc(Br)c1[O-] ZINC000552125040 1039003643 /nfs/dbraw/zinc/00/36/43/1039003643.db2.gz CJGHITGDBSBYEW-UHFFFAOYSA-N -1 0 345.196 3.566 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)nn1C1CCCCC1 ZINC000910659809 1039008367 /nfs/dbraw/zinc/00/83/67/1039008367.db2.gz BOKOEJMSJWKGPP-KGLIPLIRSA-N -1 0 333.432 3.526 20 0 EHADRM Cc1ccc(NC(=O)c2nn(-c3ccc(F)cc3C)cc2[O-])c(F)c1 ZINC000485398896 1039011120 /nfs/dbraw/zinc/01/11/20/1039011120.db2.gz DTJBIMQSWSTRBK-UHFFFAOYSA-N -1 0 343.333 3.725 20 0 EHADRM CC[C@H](C)[C@H](C(=O)Nc1ncc(CC(=O)[O-])s1)c1ccccc1 ZINC000910673695 1039012042 /nfs/dbraw/zinc/01/20/42/1039012042.db2.gz QLFJFPUQCFHARF-NHYWBVRUSA-N -1 0 332.425 3.539 20 0 EHADRM CCCCCc1ccc([N-]S(=O)(=O)c2c(Cl)cnn2C)cc1 ZINC000485394914 1039023795 /nfs/dbraw/zinc/02/37/95/1039023795.db2.gz BLJVSWVNXXDFJH-UHFFFAOYSA-N -1 0 341.864 3.607 20 0 EHADRM CC(C)c1sc(NC(=O)[C@@H]2Cc3ccccc3S2)nc1C(=O)[O-] ZINC000910696473 1039025731 /nfs/dbraw/zinc/02/57/31/1039025731.db2.gz FPOZOKAZEVBPMK-NSHDSACASA-N -1 0 348.449 3.620 20 0 EHADRM CC(C)c1sc(NC(=O)c2ccc(C(C)C)nc2)nc1C(=O)[O-] ZINC000910702068 1039027917 /nfs/dbraw/zinc/02/79/17/1039027917.db2.gz AZUBPZCACSRQMT-UHFFFAOYSA-N -1 0 333.413 3.735 20 0 EHADRM CC(C)c1sc(NC(=O)c2cccc(C(C)C)n2)nc1C(=O)[O-] ZINC000910701650 1039028001 /nfs/dbraw/zinc/02/80/01/1039028001.db2.gz VFIRCKSZKDRDTA-UHFFFAOYSA-N -1 0 333.413 3.735 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)c2ccc(C)c(C)c2)nc1C(=O)[O-] ZINC000910724201 1039032100 /nfs/dbraw/zinc/03/21/00/1039032100.db2.gz UJDDUULKIDYCTN-AWEZNQCLSA-N -1 0 344.436 3.744 20 0 EHADRM Cc1cc(C)c(CC(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)s1 ZINC000910739374 1039048889 /nfs/dbraw/zinc/04/88/89/1039048889.db2.gz MQDVGYASWFAQRD-UHFFFAOYSA-N -1 0 336.438 3.578 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2nc3c(s2)CCCCCC3)c1 ZINC000195638786 1039062256 /nfs/dbraw/zinc/06/22/56/1039062256.db2.gz WWDXWXVPFNRFHK-UHFFFAOYSA-N -1 0 336.482 3.911 20 0 EHADRM C[C@@H](Nc1ccc2cnn(CC(=O)[O-])c2c1)C1CCC(F)(F)CC1 ZINC000905751899 1039072273 /nfs/dbraw/zinc/07/22/73/1039072273.db2.gz LNXJFQUZSCJMPT-LLVKDONJSA-N -1 0 337.370 3.747 20 0 EHADRM Cc1cccc2sc(C(=O)NC3CC(CC(=O)[O-])C3)c(Cl)c21 ZINC000910809713 1039088533 /nfs/dbraw/zinc/08/85/33/1039088533.db2.gz JHCVQCOWYYVKRF-UHFFFAOYSA-N -1 0 337.828 3.846 20 0 EHADRM O=C([O-])C1CCC(CC(=O)NCCC2(c3ccccc3)CC2)CC1 ZINC000910806684 1039101064 /nfs/dbraw/zinc/10/10/64/1039101064.db2.gz YQFQUEHMMHJRHO-UHFFFAOYSA-N -1 0 329.440 3.506 20 0 EHADRM CSC1CCC(CNC(=O)c2cc(C(=O)[O-])ccc2Cl)CC1 ZINC000910803691 1039101116 /nfs/dbraw/zinc/10/11/16/1039101116.db2.gz DLUJSEGFCNYXQD-UHFFFAOYSA-N -1 0 341.860 3.690 20 0 EHADRM Cc1ccc(-n2cnnc2S[C@H](C)c2nc(C)cc(=O)[nH]2)c(C)c1 ZINC000488358323 1039117386 /nfs/dbraw/zinc/11/73/86/1039117386.db2.gz RMIUJLLMRNIJAM-CYBMUJFWSA-N -1 0 341.440 3.541 20 0 EHADRM Cc1[nH]c2c(cc(C)cc2CN=c2[n-]nc(C(F)(F)F)s2)c1C ZINC000480082425 1039149177 /nfs/dbraw/zinc/14/91/77/1039149177.db2.gz QYADQOYQYHRCSO-UHFFFAOYSA-N -1 0 340.374 3.997 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)CCC[C@H](O)c1ccccc1 ZINC000910957542 1039158311 /nfs/dbraw/zinc/15/83/11/1039158311.db2.gz BEHSYSKMOUHNQV-SFHVURJKSA-N -1 0 341.407 3.790 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1sc([C@@H](C)OC)nc1C ZINC000910963868 1039161741 /nfs/dbraw/zinc/16/17/41/1039161741.db2.gz BTKANIYNDRWKOA-SNVBAGLBSA-N -1 0 348.424 3.672 20 0 EHADRM Cc1c(C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])sc2cccc(F)c12 ZINC000261663911 1039171672 /nfs/dbraw/zinc/17/16/72/1039171672.db2.gz KWCDAKZLIRMMNN-RWSFTLGLSA-N -1 0 347.411 3.674 20 0 EHADRM CCN(C(=O)CCC[C@@H](O)c1ccccc1)c1cccc(C(=O)[O-])c1 ZINC000910968056 1039172545 /nfs/dbraw/zinc/17/25/45/1039172545.db2.gz QPIYETPPHJMAFD-GOSISDBHSA-N -1 0 341.407 3.642 20 0 EHADRM CCN(C(=O)C[C@H]1CCO[C@@H](C(C)C)C1)c1cccc(C(=O)[O-])c1 ZINC000910967999 1039172756 /nfs/dbraw/zinc/17/27/56/1039172756.db2.gz LVKXZUBTIUAMJI-WMLDXEAASA-N -1 0 333.428 3.579 20 0 EHADRM CCC(CC)n1nccc1C(=O)N(CC)c1cccc(C(=O)[O-])c1 ZINC000910972342 1039175040 /nfs/dbraw/zinc/17/50/40/1039175040.db2.gz VUKUNXRPQOGYLM-UHFFFAOYSA-N -1 0 329.400 3.609 20 0 EHADRM CCCC[C@@H](CC)CC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)CC1 ZINC000911019741 1039186869 /nfs/dbraw/zinc/18/68/69/1039186869.db2.gz STDLSPOOMMOSAY-GFCCVEGCSA-N -1 0 337.382 3.849 20 0 EHADRM O=C([O-])C1(C(F)(F)F)CCN(C(=O)CCC2CCCCCC2)CC1 ZINC000911021429 1039188418 /nfs/dbraw/zinc/18/84/18/1039188418.db2.gz PPZPUHTWIMDLJF-UHFFFAOYSA-N -1 0 349.393 3.993 20 0 EHADRM FC(F)(F)c1n[n-]c(=NC[C@H]2CCCC[C@@H]2C(F)(F)F)s1 ZINC000480122476 1039195490 /nfs/dbraw/zinc/19/54/90/1039195490.db2.gz ZBZVAYSFLCENJL-RQJHMYQMSA-N -1 0 333.301 3.759 20 0 EHADRM FC(F)(F)c1n[n-]c(=NC[C@@H]2CCCC[C@H]2C(F)(F)F)s1 ZINC000480122474 1039195369 /nfs/dbraw/zinc/19/53/69/1039195369.db2.gz ZBZVAYSFLCENJL-NKWVEPMBSA-N -1 0 333.301 3.759 20 0 EHADRM CCNc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1CCc2cc(F)ccc21 ZINC000911084149 1039217839 /nfs/dbraw/zinc/21/78/39/1039217839.db2.gz FXNFYOMCROFQTA-OAHLLOKOSA-N -1 0 342.370 3.624 20 0 EHADRM CCc1cccc(CC)c1N=c1[n-]nc(SCC(C)(C)O)s1 ZINC000488490464 1039224803 /nfs/dbraw/zinc/22/48/03/1039224803.db2.gz HNMVJGBPRONVTF-UHFFFAOYSA-N -1 0 337.514 3.691 20 0 EHADRM Cc1csc(C(=O)N=c2nc(Cc3ccccc3)[n-]s2)c1Cl ZINC000480169463 1039251967 /nfs/dbraw/zinc/25/19/67/1039251967.db2.gz VFDBVGLSZXGPNH-UHFFFAOYSA-N -1 0 349.868 3.826 20 0 EHADRM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]c3cccc(C(F)F)c3)cn21 ZINC000416946790 1039252458 /nfs/dbraw/zinc/25/24/58/1039252458.db2.gz XOULXTUVRWMHCB-SNVBAGLBSA-N -1 0 341.383 3.519 20 0 EHADRM CO[C@@H](C)c1nc(=NC2(Cc3ccc(Cl)cc3)CCC2)s[n-]1 ZINC000488515360 1039254075 /nfs/dbraw/zinc/25/40/75/1039254075.db2.gz KQXMIIFCEQQMFA-NSHDSACASA-N -1 0 337.876 3.898 20 0 EHADRM CC(C)c1cccc(CNC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000478156154 1039257769 /nfs/dbraw/zinc/25/77/69/1039257769.db2.gz YFNRUBFSGDYXRI-OAQYLSRUSA-N -1 0 339.435 3.859 20 0 EHADRM CC(C)c1cnc([N-]S(=O)(=O)c2onc(C3CC3)c2Cl)s1 ZINC000906057719 1039269722 /nfs/dbraw/zinc/26/97/22/1039269722.db2.gz MMUISMPILXDAGP-UHFFFAOYSA-N -1 0 347.849 3.586 20 0 EHADRM Cc1ccc(N(Cc2ccco2)C(=O)[C@@H]2CC[C@@H]2C(=O)[O-])cc1C ZINC000911221152 1039291036 /nfs/dbraw/zinc/29/10/36/1039291036.db2.gz PKXDGTZTZSZQHF-SJORKVTESA-N -1 0 327.380 3.540 20 0 EHADRM CC(=C([O-])c1ccccc1)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000391477140 1039297809 /nfs/dbraw/zinc/29/78/09/1039297809.db2.gz PLYYHVNCXOQUFM-NSHDSACASA-N -1 0 342.338 3.751 20 0 EHADRM CCCCc1ccc(C(=O)N(CCC(=O)[O-])Cc2cccnc2)cc1 ZINC000911278378 1039307757 /nfs/dbraw/zinc/30/77/57/1039307757.db2.gz BNZVHWJRPDATRF-UHFFFAOYSA-N -1 0 340.423 3.541 20 0 EHADRM C/C(=C\C1CCC(C)CC1)C(=O)N(CCC(=O)[O-])Cc1cccnc1 ZINC000911273668 1039307888 /nfs/dbraw/zinc/30/78/88/1039307888.db2.gz OSHKKZDBRCLNPX-FOWTUZBSSA-N -1 0 344.455 3.658 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@H]2CC(C)(C)Oc3ccc(F)cc32)s[n-]1 ZINC000651416328 1039317897 /nfs/dbraw/zinc/31/78/97/1039317897.db2.gz CSTQURDDOWXIPK-CABZTGNLSA-N -1 0 337.420 3.521 20 0 EHADRM CC(C)CC(=O)N(Cc1ccoc1C(=O)[O-])[C@@H](C)c1ccccn1 ZINC000911327061 1039324515 /nfs/dbraw/zinc/32/45/15/1039324515.db2.gz JHPLFHNMLJBVQF-ZDUSSCGKSA-N -1 0 330.384 3.509 20 0 EHADRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000552509717 1039328859 /nfs/dbraw/zinc/32/88/59/1039328859.db2.gz DNICVHDLKRFMLU-CYBMUJFWSA-N -1 0 347.436 3.518 20 0 EHADRM COc1ccc2cc([C@@H](C)C(=O)NC(C)(C)CCC(=O)[O-])ccc2c1 ZINC000237319918 1039338247 /nfs/dbraw/zinc/33/82/47/1039338247.db2.gz FJOUGCFJHJOILC-CYBMUJFWSA-N -1 0 343.423 3.712 20 0 EHADRM CC(C)[C@H]1C[C@H](CC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)CCO1 ZINC000911387655 1039340140 /nfs/dbraw/zinc/34/01/40/1039340140.db2.gz RGMZVODKJIURFH-SJKOYZFVSA-N -1 0 344.411 3.646 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)CCc1cccc(Cl)c1 ZINC000237584204 1039361380 /nfs/dbraw/zinc/36/13/80/1039361380.db2.gz UJWMGSNTKZNKIH-QGZVFWFLSA-N -1 0 345.826 3.913 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)[C@H]1CSc2ccccc21 ZINC000237599792 1039395244 /nfs/dbraw/zinc/39/52/44/1039395244.db2.gz RAGOERNEMOVOIY-JKSUJKDBSA-N -1 0 341.432 3.517 20 0 EHADRM Cc1ccccc1CNc1ccccc1NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000911512815 1039400454 /nfs/dbraw/zinc/40/04/54/1039400454.db2.gz UBECOBZPAYHMSY-CVEARBPZSA-N -1 0 338.407 3.656 20 0 EHADRM COC[C@H](C)Oc1cccc(-c2ccc([C@H](OC)C(=O)[O-])s2)c1 ZINC000906244619 1039407103 /nfs/dbraw/zinc/40/71/03/1039407103.db2.gz YXTOSXPTEUEZOZ-ZBEGNZNMSA-N -1 0 336.409 3.601 20 0 EHADRM O=C(C[C@H]1CCCc2ccccc21)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000552625966 1039415106 /nfs/dbraw/zinc/41/51/06/1039415106.db2.gz GUGXQORABISTHR-CQSZACIVSA-N -1 0 348.406 3.626 20 0 EHADRM C[C@H](CNC(=O)c1cc2cc(C(F)(F)F)ccc2s1)CC(=O)[O-] ZINC000584666375 1039417064 /nfs/dbraw/zinc/41/70/64/1039417064.db2.gz SWPWVONQNBHTFL-QMMMGPOBSA-N -1 0 345.342 3.761 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CC(C)(C)[C@H]2C(C)C)n1 ZINC000480319488 1039427069 /nfs/dbraw/zinc/42/70/69/1039427069.db2.gz NKZLWOHMEMRVEN-QGZVFWFLSA-N -1 0 345.418 3.532 20 0 EHADRM Cn1c2ccccc2c(Cl)c1C(=O)NCCCCCCC(=O)[O-] ZINC000237860484 1039442898 /nfs/dbraw/zinc/44/28/98/1039442898.db2.gz RBHPZJSJKJUKDH-UHFFFAOYSA-N -1 0 336.819 3.597 20 0 EHADRM Cc1cscc1C(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000237807727 1039445936 /nfs/dbraw/zinc/44/59/36/1039445936.db2.gz QLTBIGZTTLIHPC-CYBMUJFWSA-N -1 0 341.791 3.795 20 0 EHADRM Cc1nn(C)cc1/C=C(/CCC(=O)[O-])c1nc2ccccc2s1 ZINC000339427073 1039453310 /nfs/dbraw/zinc/45/33/10/1039453310.db2.gz DKJZSEJPVSTNGY-XFXZXTDPSA-N -1 0 327.409 3.744 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Nc2cc(C(=O)[O-])c(C)cc2F)cc1 ZINC000911681599 1039455898 /nfs/dbraw/zinc/45/58/98/1039455898.db2.gz MOEYVOZHLSHVTF-LLVKDONJSA-N -1 0 345.370 3.973 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)Nc1cc(C(=O)[O-])c(C)cc1F ZINC000911682207 1039457726 /nfs/dbraw/zinc/45/77/26/1039457726.db2.gz WBMCMGSQMZIEFO-UHFFFAOYSA-N -1 0 336.388 3.973 20 0 EHADRM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1cc(C(=O)[O-])c(C)cc1F ZINC000911682246 1039457999 /nfs/dbraw/zinc/45/79/99/1039457999.db2.gz XCBKUWINRVKPJS-NWDGAFQWSA-N -1 0 333.384 3.944 20 0 EHADRM CC(C)(C)[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1onc(C2CC2)c1Cl ZINC001212132038 1039464725 /nfs/dbraw/zinc/46/47/25/1039464725.db2.gz OVPZEIYISMEGHF-QWRGUYRKSA-N -1 0 346.880 3.699 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000911674159 1039467306 /nfs/dbraw/zinc/46/73/06/1039467306.db2.gz MQQLIVOMJCJREN-JTQLQIEISA-N -1 0 344.238 3.810 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)cc1 ZINC000238044256 1039478444 /nfs/dbraw/zinc/47/84/44/1039478444.db2.gz ZRNDQPUJWGKJAA-HZPDHXFCSA-N -1 0 345.345 3.724 20 0 EHADRM Cc1cc(-c2ncco2)ccc1NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000911748528 1039484106 /nfs/dbraw/zinc/48/41/06/1039484106.db2.gz XTLCRSYFURJFPK-UHFFFAOYSA-N -1 0 342.395 3.870 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)C1(c2cccc(F)c2)CCC1 ZINC000238094641 1039489343 /nfs/dbraw/zinc/48/93/43/1039489343.db2.gz FFLOYFYGRQAGLT-UHFFFAOYSA-N -1 0 335.419 3.789 20 0 EHADRM O=C([O-])CCCCCCNC(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000238124087 1039495680 /nfs/dbraw/zinc/49/56/80/1039495680.db2.gz LJALPTPCQFFHBR-NEPJUHHUSA-N -1 0 341.810 3.734 20 0 EHADRM O=C([O-])CCCCCNC(=O)CCCc1csc2ccccc12 ZINC000238139708 1039500098 /nfs/dbraw/zinc/50/00/98/1039500098.db2.gz KZXUHXHMTOUYQL-UHFFFAOYSA-N -1 0 333.453 3.985 20 0 EHADRM FC(F)(F)c1n[n-]c(=NC[C@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000480396139 1039502746 /nfs/dbraw/zinc/50/27/46/1039502746.db2.gz OVCFSACUAWQXRR-NKWVEPMBSA-N -1 0 333.301 3.759 20 0 EHADRM CC[C@H](C)c1ncc([N-]S(=O)(=O)c2cccc3ccccc32)cn1 ZINC000478682522 1039636909 /nfs/dbraw/zinc/63/69/09/1039636909.db2.gz QXYDWXORHGMKSP-ZDUSSCGKSA-N -1 0 341.436 3.944 20 0 EHADRM COc1ccc(NC(=O)[C@H](C)SCc2ccccc2)c(C(=O)[O-])c1 ZINC000554731469 1039664847 /nfs/dbraw/zinc/66/48/47/1039664847.db2.gz DJVGSCWSEASDDU-LBPRGKRZSA-N -1 0 345.420 3.654 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)c2nnc(C3CC3)o2)c(F)c1 ZINC000912071415 1039679528 /nfs/dbraw/zinc/67/95/28/1039679528.db2.gz KEPXTWRMXNANQX-UHFFFAOYSA-N -1 0 333.363 3.763 20 0 EHADRM Cc1cc(NC(=O)C2(c3ccccc3F)CC2)cc(C(=O)[O-])c1C ZINC000485929474 1039699235 /nfs/dbraw/zinc/69/92/35/1039699235.db2.gz GESLYLPPYGBUAI-UHFFFAOYSA-N -1 0 327.355 3.811 20 0 EHADRM Cc1ccccc1NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000478784324 1039719017 /nfs/dbraw/zinc/71/90/17/1039719017.db2.gz AVFWAUZNKWXQIX-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C)Cc2cccc(F)c2)cc(C(=O)[O-])c1C ZINC000485962766 1039726099 /nfs/dbraw/zinc/72/60/99/1039726099.db2.gz YBWNSXCBSOUWTJ-LBPRGKRZSA-N -1 0 329.371 3.958 20 0 EHADRM Fc1ccc([C@@H]2CC[C@H](N=c3[n-]nc(C(F)(F)F)s3)C2)cc1 ZINC000480582324 1039729261 /nfs/dbraw/zinc/72/92/61/1039729261.db2.gz PYGITRHJQRNAQS-KOLCDFICSA-N -1 0 331.338 3.866 20 0 EHADRM Cc1cc(O)c2nc(/C=C/c3ccc(OCC(=O)[O-])cc3)ccc2c1 ZINC000478911635 1039807294 /nfs/dbraw/zinc/80/72/94/1039807294.db2.gz OLJBBSWPAKKDHO-QHHAFSJGSA-N -1 0 335.359 3.883 20 0 EHADRM CC(C)[C@H](N=c1nc(C(F)(F)F)[n-]s1)c1nc2ccccc2[nH]1 ZINC000553208792 1039867197 /nfs/dbraw/zinc/86/71/97/1039867197.db2.gz CJRVDWKZKPFUSE-JTQLQIEISA-N -1 0 341.362 3.664 20 0 EHADRM O=C([O-])c1ccc2nc(/C=C/c3cc(-n4ccnc4)cs3)oc2c1 ZINC000486104351 1039880941 /nfs/dbraw/zinc/88/09/41/1039880941.db2.gz UODOYVNIHCYXOJ-DUXPYHPUSA-N -1 0 337.360 3.944 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)[C@H]1CCOC2(CCCC2)C1 ZINC000907022603 1039888723 /nfs/dbraw/zinc/88/87/23/1039888723.db2.gz SGWDQSZOEDOUOA-NSHDSACASA-N -1 0 332.425 3.794 20 0 EHADRM CCCc1nc(C)c([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)s1 ZINC000486129386 1039912790 /nfs/dbraw/zinc/91/27/90/1039912790.db2.gz PRFABWICKQWJFD-UHFFFAOYSA-N -1 0 342.461 3.961 20 0 EHADRM Cc1ccc(N=c2[n-]nc(Sc3cccnn3)s2)cc1Cl ZINC000553262636 1039935915 /nfs/dbraw/zinc/93/59/15/1039935915.db2.gz FTPFEFKXVLRBMY-UHFFFAOYSA-N -1 0 335.845 3.607 20 0 EHADRM C[C@H](C(=O)Nc1cc(Br)cc(Cl)c1[O-])[C@H]1CCCO1 ZINC000907165734 1039939405 /nfs/dbraw/zinc/93/94/05/1039939405.db2.gz YVGJNIOJQFZFOX-WRWORJQWSA-N -1 0 348.624 3.562 20 0 EHADRM CCCN(CC(C)C)C(=O)N=c1nc(-c2cccc(OC)c2)[n-]s1 ZINC000554926677 1039961673 /nfs/dbraw/zinc/96/16/73/1039961673.db2.gz SBBGBCXARXKBSH-UHFFFAOYSA-N -1 0 348.472 3.536 20 0 EHADRM CCc1cc(C2CC2)nc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)n1 ZINC000479123967 1039994321 /nfs/dbraw/zinc/99/43/21/1039994321.db2.gz CJPKOARIGTZVBG-UHFFFAOYSA-N -1 0 345.468 3.841 20 0 EHADRM Cc1cc(C)cc(C[C@H](NCc2ncc(C(C)(C)C)s2)C(=O)[O-])c1 ZINC000417568283 1040003880 /nfs/dbraw/zinc/00/38/80/1040003880.db2.gz KGKPBYQLNCVIMK-HNNXBMFYSA-N -1 0 346.496 3.843 20 0 EHADRM COc1ccc([C@@H](CCC(=O)[O-])NCc2ncc(Cl)s2)cc1 ZINC000417578977 1040024516 /nfs/dbraw/zinc/02/45/16/1040024516.db2.gz OPBXSSLHUIWTPC-GFCCVEGCSA-N -1 0 340.832 3.501 20 0 EHADRM Cc1cccc(CO[N-]C(=O)C2(c3cccs3)CCCCC2)n1 ZINC000912631039 1040050919 /nfs/dbraw/zinc/05/09/19/1040050919.db2.gz KTGVSAPMFZBUPL-UHFFFAOYSA-N -1 0 330.453 3.901 20 0 EHADRM COc1ccc(OC)c(CNc2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC000417605089 1040055377 /nfs/dbraw/zinc/05/53/77/1040055377.db2.gz AALXWQKEUVMYJE-ZDUSSCGKSA-N -1 0 329.396 3.579 20 0 EHADRM COc1cccc(-c2cccc(C(=O)C[C@H](C)C(=O)[O-])c2)c1OC ZINC000584848791 1040067228 /nfs/dbraw/zinc/06/72/28/1040067228.db2.gz BNFYJUWZAUWDQO-LBPRGKRZSA-N -1 0 328.364 3.664 20 0 EHADRM CC(C)(C)c1nc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cs1 ZINC000417630791 1040089286 /nfs/dbraw/zinc/08/92/86/1040089286.db2.gz RLZWSPGZLNJLIG-HUUCEWRRSA-N -1 0 330.453 3.843 20 0 EHADRM Cc1c(NC(=O)CCc2ccc([C@H]3C[C@H]3C)o2)cccc1C(=O)[O-] ZINC000324770942 1040094039 /nfs/dbraw/zinc/09/40/39/1040094039.db2.gz DJIQABCWOHTLCG-ABAIWWIYSA-N -1 0 327.380 3.981 20 0 EHADRM CC(C)(CO)[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000614090039 1040100768 /nfs/dbraw/zinc/10/07/68/1040100768.db2.gz YKTWKFUAPDBLCA-MRXNPFEDSA-N -1 0 333.815 3.535 20 0 EHADRM Cc1nn(C(C)C)cc1CNc1ccc(S[C@@H](C)C(=O)[O-])cc1 ZINC000417660271 1040124382 /nfs/dbraw/zinc/12/43/82/1040124382.db2.gz QCQIGAWWSKAPNE-ZDUSSCGKSA-N -1 0 333.457 3.950 20 0 EHADRM O=S(=O)([N-]c1ccnc(-c2ccccc2)c1)c1cccc(F)c1 ZINC000479318760 1040134998 /nfs/dbraw/zinc/13/49/98/1040134998.db2.gz SVVBRGYIYRPOHY-UHFFFAOYSA-N -1 0 328.368 3.689 20 0 EHADRM CC(C)(CC(=O)N=c1cc(-c2cc(F)cc(F)c2)[nH][nH]1)C(F)(F)F ZINC000479326221 1040141389 /nfs/dbraw/zinc/14/13/89/1040141389.db2.gz WFFQGEFUJPACOL-UHFFFAOYSA-N -1 0 347.287 3.694 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)[C@H]1CCCC2(CC2)C1)c1cccc(F)c1 ZINC000659153314 1040191829 /nfs/dbraw/zinc/19/18/29/1040191829.db2.gz URMVZTANTLBCQX-SCLBCKFNSA-N -1 0 333.403 3.602 20 0 EHADRM CC[C@@H](CN(CC)C(=O)N=c1ccc(C2CC2)n[n-]1)c1ccccc1 ZINC000480981164 1040226864 /nfs/dbraw/zinc/22/68/64/1040226864.db2.gz BNAZCQFYCHTDKH-HNNXBMFYSA-N -1 0 338.455 3.824 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@H]23)cc1 ZINC000907936845 1040236417 /nfs/dbraw/zinc/23/64/17/1040236417.db2.gz UVJHTCPMZDRGPB-QWQQUQAHSA-N -1 0 343.467 3.919 20 0 EHADRM Cc1nc(-c2ccccc2NC(=O)NCCCCCC(=O)[O-])cs1 ZINC000417802445 1040239132 /nfs/dbraw/zinc/23/91/32/1040239132.db2.gz XFNXYNQKPFVZSH-UHFFFAOYSA-N -1 0 347.440 3.885 20 0 EHADRM O=S(=O)([N-]c1nc2cc(F)ccc2[nH]1)c1cccc2ccccc21 ZINC000486557807 1040239147 /nfs/dbraw/zinc/23/91/47/1040239147.db2.gz DZCZQYBUQYMYAQ-UHFFFAOYSA-N -1 0 341.367 3.656 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@H]23)cc1Cl ZINC000907944765 1040239738 /nfs/dbraw/zinc/23/97/38/1040239738.db2.gz ONLDFGNYHSRJJK-LMRQPLJMSA-N -1 0 335.831 3.693 20 0 EHADRM CCC[C@@H](C(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@H]12)c1ccc(Cl)cc1 ZINC000907951618 1040245505 /nfs/dbraw/zinc/24/55/05/1040245505.db2.gz DQOGVJHUMANQNK-YRVYGCIDSA-N -1 0 349.858 3.839 20 0 EHADRM CCCCN(C(=O)c1ccc2oc(=O)nc-2[n-]1)[C@H](C)c1ccccc1 ZINC000667493988 1040268592 /nfs/dbraw/zinc/26/85/92/1040268592.db2.gz JZZHZXYNSDWAHH-CYBMUJFWSA-N -1 0 339.395 3.932 20 0 EHADRM CSc1ccc(CCC(=O)N(C)c2cccc(CC(=O)[O-])c2)cc1 ZINC000908089665 1040282232 /nfs/dbraw/zinc/28/22/32/1040282232.db2.gz IJIKFOQBLYJVDH-UHFFFAOYSA-N -1 0 343.448 3.631 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)N(C)c1cccc(CC(=O)[O-])c1 ZINC000908077513 1040288624 /nfs/dbraw/zinc/28/86/24/1040288624.db2.gz JQENYLFNRNBKQB-AWEZNQCLSA-N -1 0 343.448 3.598 20 0 EHADRM CN(C(=O)c1ccccc1C(C)(C)C)c1cccc(CC(=O)[O-])c1 ZINC000908081075 1040290301 /nfs/dbraw/zinc/29/03/01/1040290301.db2.gz WKSCEJJUTWSAFS-UHFFFAOYSA-N -1 0 325.408 3.888 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)N(C)c1cccc(CC(=O)[O-])c1 ZINC000908079837 1040290969 /nfs/dbraw/zinc/29/09/69/1040290969.db2.gz IRMNJQTUPGUCJU-AWEZNQCLSA-N -1 0 343.398 3.685 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)/C=C\c1cc(C(=O)[O-])co1)C(C)(C)C ZINC000908118876 1040296690 /nfs/dbraw/zinc/29/66/90/1040296690.db2.gz GSZCULHXMVDWPM-ZPUOCTKUSA-N -1 0 342.395 3.598 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000236939896 1040303623 /nfs/dbraw/zinc/30/36/23/1040303623.db2.gz YFYSXWSGLSRDEZ-AAEUAGOBSA-N -1 0 338.473 3.933 20 0 EHADRM CSc1ccc(C)c(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000899312518 1040314204 /nfs/dbraw/zinc/31/42/04/1040314204.db2.gz YSFQCBNREQVYBI-ZDUSSCGKSA-N -1 0 336.457 3.968 20 0 EHADRM CC(C)c1cnc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])s1 ZINC000899313695 1040315437 /nfs/dbraw/zinc/31/54/37/1040315437.db2.gz POMDDFCINCWGNN-NSHDSACASA-N -1 0 325.434 3.518 20 0 EHADRM CCC(CC)NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000490055799 1040329060 /nfs/dbraw/zinc/32/90/60/1040329060.db2.gz BXWCXGVIZSNCKQ-UHFFFAOYSA-N -1 0 341.333 3.515 20 0 EHADRM CC[C@@H]1c2ccccc2CN1C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000908182047 1040339060 /nfs/dbraw/zinc/33/90/60/1040339060.db2.gz WGRRKJQWYKIWSL-PBPGXSGUSA-N -1 0 327.424 3.905 20 0 EHADRM O=c1c(C(F)(F)F)c(C2CC2)[n-]n1-c1ncc(Cl)cc1Cl ZINC000899346515 1040351167 /nfs/dbraw/zinc/35/11/67/1040351167.db2.gz ORGIDMKJQXEAKR-MRVPVSSYSA-N -1 0 338.116 3.680 20 0 EHADRM CC(C)c1c(Cl)ncnc1-n1[n-]c(C2CC2)c(C(F)(F)F)c1=O ZINC000899352416 1040358659 /nfs/dbraw/zinc/35/86/59/1040358659.db2.gz IPUKNGHYRZQZTK-SECBINFHSA-N -1 0 346.740 3.545 20 0 EHADRM O=c1c(C(F)(F)F)c(C2CC2)[n-]n1-c1nccc2sccc21 ZINC000899348709 1040366894 /nfs/dbraw/zinc/36/68/94/1040366894.db2.gz HZPDEHNXPHVIMB-SNVBAGLBSA-N -1 0 325.315 3.587 20 0 EHADRM CC1(C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])CCC(F)(F)CC1 ZINC000908288955 1040384056 /nfs/dbraw/zinc/38/40/56/1040384056.db2.gz GNBYETZVCWDTML-ZDUSSCGKSA-N -1 0 331.403 3.599 20 0 EHADRM Cc1c(C(=O)[O-])sc2ncnc(N[C@H](C)CCc3ccco3)c12 ZINC000322008267 1040387900 /nfs/dbraw/zinc/38/79/00/1040387900.db2.gz ONXMRAXNBWATGL-SECBINFHSA-N -1 0 331.397 3.724 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)C2(Sc3ccccc3)CCCC2)CC1 ZINC000364194477 1040399184 /nfs/dbraw/zinc/39/91/84/1040399184.db2.gz NWTIZFFIPXOIGR-UHFFFAOYSA-N -1 0 347.480 3.805 20 0 EHADRM CCCc1cc(=O)[nH]c(C(=Cc2ccc(C)c(C(=O)[O-])c2)CC)n1 ZINC000899371990 1040409385 /nfs/dbraw/zinc/40/93/85/1040409385.db2.gz LYFXTHWIUGFFRV-ZROIWOOFSA-N -1 0 326.396 3.680 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)C1 ZINC000908376335 1040420553 /nfs/dbraw/zinc/42/05/53/1040420553.db2.gz UOPGFURLIPYAHT-WEZQJLTASA-N -1 0 337.419 3.703 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)C1 ZINC000908376334 1040420878 /nfs/dbraw/zinc/42/08/78/1040420878.db2.gz UOPGFURLIPYAHT-VUKOWNLVSA-N -1 0 337.419 3.703 20 0 EHADRM CC[C@H]1CCCCCN1C(=O)N=c1[n-]nc(/C=C/c2ccco2)s1 ZINC000486882922 1040511245 /nfs/dbraw/zinc/51/12/45/1040511245.db2.gz UPQPGCUXHVZYGB-LXKVQUBZSA-N -1 0 346.456 3.910 20 0 EHADRM CCSc1ccccc1CC(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000908636879 1040542776 /nfs/dbraw/zinc/54/27/76/1040542776.db2.gz FHXSVMZKRNBCKP-CYBMUJFWSA-N -1 0 349.477 3.735 20 0 EHADRM C[C@H](CCOCc1ccccc1)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000390405413 1040555499 /nfs/dbraw/zinc/55/54/99/1040555499.db2.gz YVYMTRGQBBYDHF-CYBMUJFWSA-N -1 0 333.815 3.771 20 0 EHADRM Cc1ccc(CCC(=O)[N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000042232403 1040562075 /nfs/dbraw/zinc/56/20/75/1040562075.db2.gz ZSJZAOMLCGYPSG-UHFFFAOYSA-N -1 0 337.828 3.926 20 0 EHADRM Cc1ccnc(NC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)c1C1CC1 ZINC000908684208 1040572047 /nfs/dbraw/zinc/57/20/47/1040572047.db2.gz PRKXHLINGVBLPO-INIZCTEOSA-N -1 0 339.395 3.557 20 0 EHADRM CCCCn1cc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c(C)n1 ZINC000908688811 1040574752 /nfs/dbraw/zinc/57/47/52/1040574752.db2.gz TUWUTLGIWSWYFW-UHFFFAOYSA-N -1 0 335.791 3.596 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000908699564 1040578436 /nfs/dbraw/zinc/57/84/36/1040578436.db2.gz NWGSEBKEWTURLP-ZWKOTPCHSA-N -1 0 341.407 3.699 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)N[C@@H]1CCSc2ccccc21 ZINC000908699992 1040595824 /nfs/dbraw/zinc/59/58/24/1040595824.db2.gz PSMBDTSBTPGFOR-MRXNPFEDSA-N -1 0 341.432 3.671 20 0 EHADRM CC(C)C[C@H]1CCCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000500153704 1040610110 /nfs/dbraw/zinc/61/01/10/1040610110.db2.gz ZEIJDIRHERBPHD-MRXNPFEDSA-N -1 0 345.418 3.758 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000908803779 1040670974 /nfs/dbraw/zinc/67/09/74/1040670974.db2.gz NOXUGBDRYHWPSJ-HXUWFJFHSA-N -1 0 327.424 3.666 20 0 EHADRM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000756563683 1040688644 /nfs/dbraw/zinc/68/86/44/1040688644.db2.gz URLBYTJFSTWKAF-BZZMCLGOSA-N -1 0 349.496 3.800 20 0 EHADRM CC/C(C)=C/C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000908858507 1040693146 /nfs/dbraw/zinc/69/31/46/1040693146.db2.gz WSYGJKMZFDQNQZ-FROQITRMSA-N -1 0 345.317 3.574 20 0 EHADRM CC/C(C)=C\C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000908858508 1040693171 /nfs/dbraw/zinc/69/31/71/1040693171.db2.gz WSYGJKMZFDQNQZ-KJJQSCHISA-N -1 0 345.317 3.574 20 0 EHADRM CC[C@H]1C[C@H](CC(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)CCO1 ZINC000908900436 1040708164 /nfs/dbraw/zinc/70/81/64/1040708164.db2.gz AGXQHPFGFXNYOK-HIFRSBDPSA-N -1 0 349.427 3.706 20 0 EHADRM Cc1cc(Nc2ccn3c(Br)cnc3c2)ccc1C(=O)[O-] ZINC001211655417 1040714300 /nfs/dbraw/zinc/71/43/00/1040714300.db2.gz XXGUWFYSAUQVRG-UHFFFAOYSA-N -1 0 346.184 3.847 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)N=c1[n-]nc(C(C)(C)C)s1)C1CC1 ZINC000490738124 1040715862 /nfs/dbraw/zinc/71/58/62/1040715862.db2.gz YVFNGYYFZCGZPS-AWEZNQCLSA-N -1 0 344.484 3.839 20 0 EHADRM CC(C)(C(=O)Nc1cccc(Cl)c1[O-])c1ccc2c(c1)OCO2 ZINC000490747173 1040720407 /nfs/dbraw/zinc/72/04/07/1040720407.db2.gz RJADTSQJCVIEPX-UHFFFAOYSA-N -1 0 333.771 3.691 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)C[C@H](c1ccc(O)cc1)C1CC1 ZINC000909072379 1040772824 /nfs/dbraw/zinc/77/28/24/1040772824.db2.gz UNZOXQQLVFWQCT-KRWDZBQOSA-N -1 0 339.391 3.542 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cscc1C(F)F)c1ccccc1 ZINC000909063917 1040787554 /nfs/dbraw/zinc/78/75/54/1040787554.db2.gz BDWZZRPZKJEIGM-RNCFNFMXSA-N -1 0 339.363 3.878 20 0 EHADRM CC(C)CCn1ccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)n1 ZINC000164536674 1040793961 /nfs/dbraw/zinc/79/39/61/1040793961.db2.gz SNGACBIJIXEOPM-UHFFFAOYSA-N -1 0 345.827 3.523 20 0 EHADRM Cc1c(-c2ccc(NC(=O)C(C)(C)C)nc2)ccc(F)c1C(=O)[O-] ZINC000899634976 1040887804 /nfs/dbraw/zinc/88/78/04/1040887804.db2.gz DCSXVQRWUHKABJ-UHFFFAOYSA-N -1 0 330.359 3.879 20 0 EHADRM Cc1oc(C(C)C)nc1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000909287997 1040907686 /nfs/dbraw/zinc/90/76/86/1040907686.db2.gz MIXNQXIDUVHGRP-UHFFFAOYSA-N -1 0 330.384 3.721 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C[C@H]2CCC(C)(C)CO2)cc1 ZINC000909287858 1040909433 /nfs/dbraw/zinc/90/94/33/1040909433.db2.gz DJTQYYCQKIMKHF-OAHLLOKOSA-N -1 0 333.428 3.583 20 0 EHADRM C[C@@H](NC(=O)C12CCC(C(=O)[O-])(CC1)CC2)c1c(F)cccc1F ZINC000909721189 1040967338 /nfs/dbraw/zinc/96/73/38/1040967338.db2.gz GDLHONRWEABFPC-IPPDQLOFSA-N -1 0 337.366 3.567 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)sc1Cl ZINC000473479006 1040984469 /nfs/dbraw/zinc/98/44/69/1040984469.db2.gz AVUHTRUYJAPGFO-UHFFFAOYSA-N -1 0 341.763 3.928 20 0 EHADRM COc1cccc(C2(C(=O)Nc3ccc([C@@H](C)C(=O)[O-])cc3)CC2)c1 ZINC000909835845 1041031160 /nfs/dbraw/zinc/03/11/60/1041031160.db2.gz JYJIIOXTNOQQBL-CYBMUJFWSA-N -1 0 339.391 3.554 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)s1 ZINC000909845771 1041035831 /nfs/dbraw/zinc/03/58/31/1041035831.db2.gz GLNLGCZZEPDWMP-CHWSQXEVSA-N -1 0 335.812 3.520 20 0 EHADRM C[C@H]1CCCC[C@H]1NC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000555723882 1041045888 /nfs/dbraw/zinc/04/58/88/1041045888.db2.gz ZHDHEAWGIRONDT-SWLSCSKDSA-N -1 0 338.835 3.515 20 0 EHADRM COc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000473481194 1041047557 /nfs/dbraw/zinc/04/75/57/1041047557.db2.gz UQTPMSJPYMDSMZ-UHFFFAOYSA-N -1 0 335.809 3.658 20 0 EHADRM CC[C@H](NC(=O)N(CC(=O)[O-])C1CCCC1)c1cccc(Cl)c1 ZINC000555757630 1041112525 /nfs/dbraw/zinc/11/25/25/1041112525.db2.gz OFTNAAROTOUONW-HNNXBMFYSA-N -1 0 338.835 3.830 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cc1O)c1ccccc1-c1ccccc1 ZINC000481596916 1041124196 /nfs/dbraw/zinc/12/41/96/1041124196.db2.gz WYIRHZOOVUFOJG-UHFFFAOYSA-N -1 0 343.379 3.999 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C(=O)[O-])cc1 ZINC000899797095 1041131052 /nfs/dbraw/zinc/13/10/52/1041131052.db2.gz XBJZUQYUSQGKIE-RDTXWAMCSA-N -1 0 343.398 3.912 20 0 EHADRM C[C@@H]1CCC[C@@H](C)N(C(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])C1 ZINC000669167280 1041139411 /nfs/dbraw/zinc/13/94/11/1041139411.db2.gz ALIGFBKIAXCXRR-VXGBXAGGSA-N -1 0 349.381 3.507 20 0 EHADRM Cc1ccc([C@@H](CC(=O)NC2CC(c3ccccc3)C2)C(=O)[O-])cc1 ZINC000899806916 1041150752 /nfs/dbraw/zinc/15/07/52/1041150752.db2.gz QCCSDYHFKOPUJH-CTWPCTMYSA-N -1 0 337.419 3.616 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000614318954 1041166700 /nfs/dbraw/zinc/16/67/00/1041166700.db2.gz QPCGKTCNOXLNNK-NUEKZKHPSA-N -1 0 337.847 3.591 20 0 EHADRM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)c1nc2ccccc2[n-]1 ZINC000512886296 1041178034 /nfs/dbraw/zinc/17/80/34/1041178034.db2.gz HILYCOADFJVBSV-UHFFFAOYSA-N -1 0 341.219 3.844 20 0 EHADRM O=C([N-]c1nnc(-c2ccsc2)s1)c1nc(Cl)ccc1F ZINC000759858125 1041182488 /nfs/dbraw/zinc/18/24/88/1041182488.db2.gz YVKSBPOIMCVJKM-UHFFFAOYSA-N -1 0 340.792 3.706 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000899828879 1041186258 /nfs/dbraw/zinc/18/62/58/1041186258.db2.gz APRWIRYLPRYEGT-VIFPVBQESA-N -1 0 333.306 3.503 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)NC(C)(C)c1nc2ccccc2s1 ZINC000899829360 1041187798 /nfs/dbraw/zinc/18/77/98/1041187798.db2.gz YAFVZNHBCANJIO-GFCCVEGCSA-N -1 0 348.468 3.785 20 0 EHADRM CSc1cc(C(=O)N2[C@@H](C(=O)[O-])CC[C@H]2c2ccccc2)c(C)o1 ZINC000910099017 1041190968 /nfs/dbraw/zinc/19/09/68/1041190968.db2.gz PSLDFMVAQRUEBZ-LSDHHAIUSA-N -1 0 345.420 3.740 20 0 EHADRM CCC[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])cs1 ZINC000910105321 1041192129 /nfs/dbraw/zinc/19/21/29/1041192129.db2.gz UTGYZFRPQYMFHM-MBNYWOFBSA-N -1 0 336.457 3.721 20 0 EHADRM Cc1ccc(C)c(C(=O)NCCC2CCC(F)(F)CC2)c1C(=O)[O-] ZINC000899853710 1041213793 /nfs/dbraw/zinc/21/37/93/1041213793.db2.gz ZDORYMFUJUHYMF-UHFFFAOYSA-N -1 0 339.382 3.947 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)[C@H](CC(=O)[O-])CC(C)C)C(C)(C)C ZINC000899853526 1041214370 /nfs/dbraw/zinc/21/43/70/1041214370.db2.gz WYZYKDJAPLNOQP-WMLDXEAASA-N -1 0 334.460 3.730 20 0 EHADRM CC(C)[C@@H]1C[C@H](CC(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)CCO1 ZINC000910198559 1041223940 /nfs/dbraw/zinc/22/39/40/1041223940.db2.gz UFDAXJKQQJYPKD-PXAZEXFGSA-N -1 0 344.411 3.646 20 0 EHADRM COCc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000194242270 1041240677 /nfs/dbraw/zinc/24/06/77/1041240677.db2.gz NQOOGBRTOWOLBQ-UHFFFAOYSA-N -1 0 346.235 3.941 20 0 EHADRM CC(C)CC[C@@H]1CCCN1C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000555882826 1041292710 /nfs/dbraw/zinc/29/27/10/1041292710.db2.gz FHGLVWNPPHBGCA-HNNXBMFYSA-N -1 0 345.418 3.758 20 0 EHADRM C[C@]1(c2cccc(F)c2)CCN(C(=O)CC2CCC(C(=O)[O-])CC2)C1 ZINC000652082071 1041351988 /nfs/dbraw/zinc/35/19/88/1041351988.db2.gz FYNIWMWBVUZYSZ-WSNMIEGMSA-N -1 0 347.430 3.597 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Cc2ccc(SC3CC3)cc2)c1 ZINC000909333428 1041425119 /nfs/dbraw/zinc/42/51/19/1041425119.db2.gz QXDOWMWUTOQJMW-UHFFFAOYSA-N -1 0 341.432 3.749 20 0 EHADRM COc1cc(Br)c(O)c(Nc2csc(C(=O)[O-])c2)c1 ZINC001176439653 1132929494 /nfs/dbraw/zinc/92/94/94/1132929494.db2.gz WMPWYXRAHWPDJQ-UHFFFAOYSA-N -1 0 344.186 3.667 20 0 EHADRM O=C([O-])C1(CC(=O)N2CCc3cc(-c4ccccc4)ccc32)CCC1 ZINC000432090518 1041580011 /nfs/dbraw/zinc/58/00/11/1041580011.db2.gz CTCNGGWTGXQYQY-UHFFFAOYSA-N -1 0 335.403 3.888 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2cccc(C(=O)[O-])c2)C(F)(F)F)c1 ZINC000432097399 1041591877 /nfs/dbraw/zinc/59/18/77/1041591877.db2.gz LVGQMPJVSFTICO-AWEZNQCLSA-N -1 0 337.297 3.727 20 0 EHADRM O=C([O-])c1cc(C(=O)Nc2ccc(COc3ccccc3)cc2)ccn1 ZINC000432110377 1041603200 /nfs/dbraw/zinc/60/32/00/1041603200.db2.gz SRMVMHKPFZOYHX-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM O=C([O-])C1CCC(C(=O)N2CCCC[C@@H]2Cc2ccccc2F)CC1 ZINC000652121628 1041657650 /nfs/dbraw/zinc/65/76/50/1041657650.db2.gz PUEGRSMWDMSBRU-VMBOVVBDSA-N -1 0 347.430 3.640 20 0 EHADRM Cc1ccc(C)c(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000013173795 1041667717 /nfs/dbraw/zinc/66/77/17/1041667717.db2.gz SGAFKBDXIOUUOX-MRXNPFEDSA-N -1 0 331.799 3.903 20 0 EHADRM FC(F)(F)[C@@H](CCN=c1nc(C2CC2)[n-]s1)c1ccccc1 ZINC000432172851 1041691553 /nfs/dbraw/zinc/69/15/53/1041691553.db2.gz BEMQLPGFPJVIPD-LBPRGKRZSA-N -1 0 327.375 3.986 20 0 EHADRM CCCCOc1ccc(NC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)c(C)c1 ZINC000647693852 1041702673 /nfs/dbraw/zinc/70/26/73/1041702673.db2.gz PDMQVJNZUPYLMF-CZUORRHYSA-N -1 0 348.443 3.748 20 0 EHADRM COC(=O)c1cc(OC)c(Nc2ccc(C(=O)[O-])c(C)c2)cc1Cl ZINC001211661010 1041708492 /nfs/dbraw/zinc/70/84/92/1041708492.db2.gz YDZBYCWRXJCLGY-UHFFFAOYSA-N -1 0 349.770 3.885 20 0 EHADRM O=[N+]([O-])c1ccc([O-])c(/C=N/Cc2ccc(Br)s2)c1 ZINC000026432287 1041718807 /nfs/dbraw/zinc/71/88/07/1041718807.db2.gz PGNRHNPGTKRADE-MKMNVTDBSA-N -1 0 341.186 3.744 20 0 EHADRM CCOC(=O)Cc1ccc(F)c(Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001211663326 1041860746 /nfs/dbraw/zinc/86/07/46/1041860746.db2.gz DWPQRAURROMERK-UHFFFAOYSA-N -1 0 331.343 3.682 20 0 EHADRM CSCCCN(C)C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000343875551 1042061280 /nfs/dbraw/zinc/06/12/80/1042061280.db2.gz GVNSBOYQZUJMBB-UHFFFAOYSA-N -1 0 347.484 3.526 20 0 EHADRM CC(C)(C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1)c1ccccc1F ZINC000236722426 1042086589 /nfs/dbraw/zinc/08/65/89/1042086589.db2.gz XHAMZDUAXAAXGI-FMIVXFBMSA-N -1 0 327.355 3.840 20 0 EHADRM CSc1nc(N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc(C(F)F)n1 ZINC000662881908 1042184263 /nfs/dbraw/zinc/18/42/63/1042184263.db2.gz DAKHMBNWKURUBN-XHNCKOQMSA-N -1 0 345.415 3.683 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)CC1CC(OC(C)(C)C)C1 ZINC000909373584 1042277533 /nfs/dbraw/zinc/27/75/33/1042277533.db2.gz ATAQRBWUOUTMSE-DQPZFDDXSA-N -1 0 347.455 3.611 20 0 EHADRM Cc1ccc([C@H]2CCCCCN2C(=O)N=c2ncn(C(C)(C)C)[n-]2)o1 ZINC000408189361 1042305680 /nfs/dbraw/zinc/30/56/80/1042305680.db2.gz NCTMIQWCSPFRCD-CQSZACIVSA-N -1 0 345.447 3.506 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)C[C@H](C)c1c[nH]c2ccccc21 ZINC000909375725 1042315838 /nfs/dbraw/zinc/31/58/38/1042315838.db2.gz OSEBZCAMRXOXNJ-ZDUSSCGKSA-N -1 0 330.428 3.811 20 0 EHADRM Cc1nn(-c2ccccc2)cc1NC(=O)C1(C(=O)[O-])CCCCCC1 ZINC000663044470 1042389420 /nfs/dbraw/zinc/38/94/20/1042389420.db2.gz QSHDMTGBDHNHCJ-UHFFFAOYSA-N -1 0 341.411 3.544 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)C[C@@]23CCCC[C@@H]2C3(F)F)c2ccccc21 ZINC000663054019 1042401139 /nfs/dbraw/zinc/40/11/39/1042401139.db2.gz HIWRVFWNRMVDHI-XUWXXGDYSA-N -1 0 349.377 3.807 20 0 EHADRM O=C(c1c([O-])cc(F)cc1F)N1CCC(c2ccccc2F)CC1 ZINC000605892193 1042407036 /nfs/dbraw/zinc/40/70/36/1042407036.db2.gz PQWYQXPHXHVCEP-UHFFFAOYSA-N -1 0 335.325 3.829 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000663076949 1042425954 /nfs/dbraw/zinc/42/59/54/1042425954.db2.gz RUSBVRSLJUXVMB-LBPRGKRZSA-N -1 0 331.334 3.867 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000663080665 1042426809 /nfs/dbraw/zinc/42/68/09/1042426809.db2.gz INPKVDNBRAPSNZ-WCQYABFASA-N -1 0 341.860 3.740 20 0 EHADRM O=C(c1ccc2oc(=O)nc-2[n-]1)N1CCCC2(CCCCC2)CC1 ZINC000613860127 1042434321 /nfs/dbraw/zinc/43/43/21/1042434321.db2.gz AIPQAVFQYRDRLR-UHFFFAOYSA-N -1 0 329.400 3.505 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc2ccccc2s1)c1ccc(F)cc1 ZINC000013257740 1042438915 /nfs/dbraw/zinc/43/89/15/1042438915.db2.gz KJMCROVMVFKHGF-AWEZNQCLSA-N -1 0 343.379 3.986 20 0 EHADRM CC[C@H](OCCN(CC(=O)[O-])Cc1ccc(F)cc1)c1ccccc1 ZINC000652470810 1042490941 /nfs/dbraw/zinc/49/09/41/1042490941.db2.gz KDSWWJFJDQPPTN-IBGZPJMESA-N -1 0 345.414 3.880 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)CSc1ccc2ccccc2c1)C1CCC1 ZINC000663146533 1042491853 /nfs/dbraw/zinc/49/18/53/1042491853.db2.gz GZUOEXGJQPMSDM-KRWDZBQOSA-N -1 0 343.448 3.549 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCC34CCCC4)n2)c1 ZINC000652568843 1042546369 /nfs/dbraw/zinc/54/63/69/1042546369.db2.gz UPCXXPNSBULPCD-UHFFFAOYSA-N -1 0 339.439 3.860 20 0 EHADRM CC(C)(CNC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)CC(F)(F)F ZINC000663230762 1042575265 /nfs/dbraw/zinc/57/52/65/1042575265.db2.gz GFWBJFVIQFQXIM-INIZCTEOSA-N -1 0 345.361 3.514 20 0 EHADRM C[C@@H](NC(=O)CC1(CC(=O)[O-])CCCC1)c1ccc2c(c1)CCCO2 ZINC000663230478 1042578125 /nfs/dbraw/zinc/57/81/25/1042578125.db2.gz YQZQMKAAPFIKLR-CQSZACIVSA-N -1 0 345.439 3.614 20 0 EHADRM COc1cc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c(OC)cc1Cl ZINC000254791135 1042619412 /nfs/dbraw/zinc/61/94/12/1042619412.db2.gz QHOJVALFYJDODP-UHFFFAOYSA-N -1 0 336.731 3.722 20 0 EHADRM COc1ccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1OC ZINC000254763877 1042620327 /nfs/dbraw/zinc/62/03/27/1042620327.db2.gz JANYBLYGDDXAEM-UHFFFAOYSA-N -1 0 336.731 3.722 20 0 EHADRM O=C(Cc1noc(-c2cc3ccccc3cc2O)n1)Nc1ccccc1 ZINC000184849262 1042621300 /nfs/dbraw/zinc/62/13/00/1042621300.db2.gz WTBXVRBEVSNNFT-UHFFFAOYSA-N -1 0 345.358 3.777 20 0 EHADRM CCCOc1cc(F)ccc1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000186865364 1042716254 /nfs/dbraw/zinc/71/62/54/1042716254.db2.gz RKYIAGLMXZUTJG-UHFFFAOYSA-N -1 0 325.286 3.851 20 0 EHADRM CCn1c2ccccc2nc1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000187031557 1042746897 /nfs/dbraw/zinc/74/68/97/1042746897.db2.gz DKNYGDDJPHYPGB-UHFFFAOYSA-N -1 0 333.750 3.807 20 0 EHADRM O=C(NO[C@H]1CCCCO1)Nc1ccc(Oc2ccccc2F)nc1 ZINC000278866728 1042762475 /nfs/dbraw/zinc/76/24/75/1042762475.db2.gz GUQMLTWTLBRPFX-INIZCTEOSA-N -1 0 347.346 3.593 20 0 EHADRM CCOc1cc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)ccc1C ZINC000066965904 1042775230 /nfs/dbraw/zinc/77/52/30/1042775230.db2.gz WWSOQABTPDMPIM-FQEVSTJZSA-N -1 0 341.407 3.765 20 0 EHADRM Cc1ccc(C(C)(C)CNC(=O)c2cc(F)c([O-])c(Cl)c2)nc1 ZINC000628718207 1042851157 /nfs/dbraw/zinc/85/11/57/1042851157.db2.gz LXYRMBDSDGHZGS-UHFFFAOYSA-N -1 0 336.794 3.596 20 0 EHADRM CC[C@@H]1c2ccccc2CCN1C(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000603922137 1042854062 /nfs/dbraw/zinc/85/40/62/1042854062.db2.gz KVUYUWMHHPHDND-LJQANCHMSA-N -1 0 332.403 3.678 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)CCc2ccc(Cl)s2)c2ccccc21 ZINC000653330935 1042864795 /nfs/dbraw/zinc/86/47/95/1042864795.db2.gz LYDGWCDITPKHSS-UONOGXRCSA-N -1 0 349.839 3.764 20 0 EHADRM O=C([O-])[C@@]1(CC(=O)Nc2cccc(SC(F)F)c2)CCSC1 ZINC000066966091 1042895656 /nfs/dbraw/zinc/89/56/56/1042895656.db2.gz RIUDYVQOFNTBIB-CQSZACIVSA-N -1 0 347.408 3.538 20 0 EHADRM C[C@H](CC(=O)[O-])c1ccc(NC(=O)N(C)Cc2ccccc2)cc1 ZINC000303591738 1042937972 /nfs/dbraw/zinc/93/79/72/1042937972.db2.gz CSCFSCMWCFHRRC-CQSZACIVSA-N -1 0 326.396 3.929 20 0 EHADRM O=S(=O)([N-]c1cc(-c2ccc(Cl)s2)[nH]n1)c1ccsc1 ZINC000350143337 1042946311 /nfs/dbraw/zinc/94/63/11/1042946311.db2.gz MXXKBZDQOABUSM-UHFFFAOYSA-N -1 0 345.858 3.654 20 0 EHADRM CC(C)(CN=c1[n-]nc(C(F)F)o1)c1cccc(Br)c1 ZINC000432342043 1042975612 /nfs/dbraw/zinc/97/56/12/1042975612.db2.gz FLAPLHXAMZCYJR-UHFFFAOYSA-N -1 0 346.175 3.581 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)c2ccc(C(F)(F)F)cn2)s1 ZINC000344101118 1043251075 /nfs/dbraw/zinc/25/10/75/1043251075.db2.gz BBIIUXBPUJIQLW-UHFFFAOYSA-N -1 0 344.362 3.530 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N(CC)C2CCCC2)n1 ZINC000512113276 1043288363 /nfs/dbraw/zinc/28/83/63/1043288363.db2.gz KGXQOKVCQASYNJ-UHFFFAOYSA-N -1 0 327.428 3.545 20 0 EHADRM CCn1c2ccccc2c2cc(NC(=O)CSCC(=O)[O-])ccc21 ZINC000325563643 1043371347 /nfs/dbraw/zinc/37/13/47/1043371347.db2.gz HGUPPEQHKPTPTE-UHFFFAOYSA-N -1 0 342.420 3.571 20 0 EHADRM CC(C)n1c(=N)[n-]nc1SCCc1cccc(Cl)c1Cl ZINC000432495081 1043519916 /nfs/dbraw/zinc/51/99/16/1043519916.db2.gz HBMMSPZFLWGORG-UHFFFAOYSA-N -1 0 331.272 3.913 20 0 EHADRM CC(C)(CC(=O)NCc1ccc(Oc2ccc(F)cc2)cc1)C(=O)[O-] ZINC000327528310 1043560137 /nfs/dbraw/zinc/56/01/37/1043560137.db2.gz OUSLJPKDYOHHLJ-UHFFFAOYSA-N -1 0 345.370 3.735 20 0 EHADRM O=C(Cc1nc(=O)c2sccc2[n-]1)c1ccc(Br)cc1 ZINC000432507043 1043628272 /nfs/dbraw/zinc/62/82/72/1043628272.db2.gz YGEJHHWVZXYJNV-UHFFFAOYSA-N -1 0 349.209 3.585 20 0 EHADRM CCC(CC)(CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000391024456 1043773658 /nfs/dbraw/zinc/77/36/58/1043773658.db2.gz BXBYMJKZCUHEIY-LLVKDONJSA-N -1 0 327.371 3.765 20 0 EHADRM O=C([O-])C1(CC(=O)N2CCC(C(F)(F)F)CC2)CCCCCC1 ZINC000391077955 1043801172 /nfs/dbraw/zinc/80/11/72/1043801172.db2.gz SDBPOECHITYDIB-UHFFFAOYSA-N -1 0 335.366 3.603 20 0 EHADRM CC[C@@H](NC(=O)c1nn(-c2ccccc2F)cc1[O-])c1cccs1 ZINC000344806451 1044453856 /nfs/dbraw/zinc/45/38/56/1044453856.db2.gz GIVKHIWFMAONOL-GFCCVEGCSA-N -1 0 345.399 3.660 20 0 EHADRM CSc1cccc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)c1 ZINC000337845189 1044498100 /nfs/dbraw/zinc/49/81/00/1044498100.db2.gz HNMYBOKNSYUJDK-UHFFFAOYSA-N -1 0 346.433 3.864 20 0 EHADRM O=C(Nc1nnc(-c2ccco2)s1)c1coc(C2CCCC2)n1 ZINC000337901460 1044532344 /nfs/dbraw/zinc/53/23/44/1044532344.db2.gz QPNHLWBEYPVEEP-UHFFFAOYSA-N -1 0 330.369 3.696 20 0 EHADRM Cc1ccc(CCC2CCN(C(=O)[C@@H]3CC[C@H](C(=O)[O-])C3)CC2)cc1 ZINC000261625690 1044764920 /nfs/dbraw/zinc/76/49/20/1044764920.db2.gz DKSFPIWVIKMEEI-MOPGFXCFSA-N -1 0 343.467 3.667 20 0 EHADRM CCOCc1cccc([N-]S(=O)(=O)c2ccc(C(F)F)o2)c1 ZINC000634788297 1125588095 /nfs/dbraw/zinc/58/80/95/1125588095.db2.gz MPKRZRUDDLAAPV-UHFFFAOYSA-N -1 0 331.340 3.555 20 0 EHADRM C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1ccc(O)cc1F ZINC000154982172 1125772459 /nfs/dbraw/zinc/77/24/59/1125772459.db2.gz NCKPVKRDBWVEQM-JTQLQIEISA-N -1 0 330.384 3.502 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)c1ccccc1SCc1cccs1 ZINC000184896134 1126708705 /nfs/dbraw/zinc/70/87/05/1126708705.db2.gz RXAWXJNGXSERGE-UHFFFAOYSA-N -1 0 349.477 3.977 20 0 EHADRM CC[C@@H](CC(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1ccccc1 ZINC000171468448 1126716744 /nfs/dbraw/zinc/71/67/44/1126716744.db2.gz OCMVJOUIBOEOET-ZDUSSCGKSA-N -1 0 337.379 3.552 20 0 EHADRM CCCn1nccc1[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000171343822 1126762544 /nfs/dbraw/zinc/76/25/44/1126762544.db2.gz FDFRJDXJNGVBRG-UHFFFAOYSA-N -1 0 341.436 3.761 20 0 EHADRM Cc1ncc(C(=O)Nc2cc(Cl)cc(Br)c2[O-])s1 ZINC000174913988 1126863094 /nfs/dbraw/zinc/86/30/94/1126863094.db2.gz UNIRZGXRCVGAAX-UHFFFAOYSA-N -1 0 347.621 3.825 20 0 EHADRM C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC000623207633 1126896228 /nfs/dbraw/zinc/89/62/28/1126896228.db2.gz YQIBVHLZWAKMQR-GMSGAONNSA-N -1 0 340.210 3.727 20 0 EHADRM [O-]c1ccc(Cl)cc1-c1nc(-c2ccc(-c3nnco3)cc2)no1 ZINC000350780396 1127101148 /nfs/dbraw/zinc/10/11/48/1127101148.db2.gz NLPPBXFBJSPJPO-UHFFFAOYSA-N -1 0 340.726 3.813 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cccc(C)c2Cl)c(C)c1 ZINC000179990514 1127107124 /nfs/dbraw/zinc/10/71/24/1127107124.db2.gz KUADNIPVSSIAEI-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM CCc1cccc(C)c1[N-]S(=O)(=O)c1c(C)nn(CC(C)C)c1C ZINC000181660223 1127287590 /nfs/dbraw/zinc/28/75/90/1127287590.db2.gz HJIJQZCBQARYBE-UHFFFAOYSA-N -1 0 349.500 3.828 20 0 EHADRM CC(C)(CNC(=O)c1cc(F)c(F)c([O-])c1F)Cc1ccccc1 ZINC000182714617 1127344937 /nfs/dbraw/zinc/34/49/37/1127344937.db2.gz HUHDOZVPKXUAKE-UHFFFAOYSA-N -1 0 337.341 3.808 20 0 EHADRM C[C@@H](C(F)(F)F)S(=O)(=O)[N-]C(C)(C)Cc1ccccc1Cl ZINC000184411815 1127404316 /nfs/dbraw/zinc/40/43/16/1127404316.db2.gz QKYGLMXSRGOBBW-VIFPVBQESA-N -1 0 343.798 3.531 20 0 EHADRM COc1c(C)ccc(NC(=O)c2cc(F)c(F)c([O-])c2F)c1C ZINC000185042932 1127418667 /nfs/dbraw/zinc/41/86/67/1127418667.db2.gz PJVJMBONNIGWKZ-UHFFFAOYSA-N -1 0 325.286 3.687 20 0 EHADRM Cc1cc(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)c(Cl)cc1F ZINC000193105602 1127433364 /nfs/dbraw/zinc/43/33/64/1127433364.db2.gz NDUWDIGNUDGITL-GOSISDBHSA-N -1 0 349.789 3.560 20 0 EHADRM O=C(Nc1cc(Cl)cc(Br)c1[O-])c1cccc(F)n1 ZINC000764516073 1127502279 /nfs/dbraw/zinc/50/22/79/1127502279.db2.gz XLNWEWXTFDTCJH-UHFFFAOYSA-N -1 0 345.555 3.595 20 0 EHADRM CCC[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C)c(Cl)c1)C(C)C ZINC000764663014 1127519722 /nfs/dbraw/zinc/51/97/22/1127519722.db2.gz DNCFCTGNQJFAJO-ZDUSSCGKSA-N -1 0 331.865 3.526 20 0 EHADRM O=S(=O)([N-]c1ccccc1OCC(F)(F)F)c1ccc(F)cc1 ZINC000014205637 1127645714 /nfs/dbraw/zinc/64/57/14/1127645714.db2.gz QKXVRAHPWAZQAQ-UHFFFAOYSA-N -1 0 349.305 3.568 20 0 EHADRM O=C(Nc1ccccc1)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000016503760 1127663474 /nfs/dbraw/zinc/66/34/74/1127663474.db2.gz HRJJBFSPVLGJAX-UHFFFAOYSA-N -1 0 347.296 3.849 20 0 EHADRM CCCOc1cccc([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000032599870 1127853888 /nfs/dbraw/zinc/85/38/88/1127853888.db2.gz XCNBNYXQWOTQNC-UHFFFAOYSA-N -1 0 327.352 3.554 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(F)cc2Cl)no1 ZINC000033933513 1127867377 /nfs/dbraw/zinc/86/73/77/1127867377.db2.gz WCQMRKQAMRXAQS-UHFFFAOYSA-N -1 0 332.784 3.565 20 0 EHADRM Clc1ccc2c(c1)CC[C@@H]2N=c1[n-]nc(C2CCOCC2)s1 ZINC000338655311 1127999499 /nfs/dbraw/zinc/99/94/99/1127999499.db2.gz JOKMEGYLZXELHA-AWEZNQCLSA-N -1 0 335.860 3.607 20 0 EHADRM O=S(=O)([N-]c1nc2ccc(Cl)cc2s1)c1cccc(F)c1 ZINC000057734965 1128055774 /nfs/dbraw/zinc/05/57/74/1128055774.db2.gz HRPHYTIALHGXGM-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM O=S(=O)([N-]c1ccccc1Cc1ccccc1)c1cncc(F)c1 ZINC000063476352 1128145368 /nfs/dbraw/zinc/14/53/68/1128145368.db2.gz BPMKJPUTAIDAFJ-UHFFFAOYSA-N -1 0 342.395 3.612 20 0 EHADRM Cc1ccccc1-c1nc(=N[C@@H](C2CC2)C2CCOCC2)s[n-]1 ZINC000624349837 1128168767 /nfs/dbraw/zinc/16/87/67/1128168767.db2.gz YBPWJLLVPPDKQD-INIZCTEOSA-N -1 0 329.469 3.553 20 0 EHADRM COc1cc(/C=C/c2nc(C(=O)[O-])ccc2C#N)ccc1SC ZINC000069147513 1128283129 /nfs/dbraw/zinc/28/31/29/1128283129.db2.gz LDWHSNUOYCWLBL-ZZXKWVIFSA-N -1 0 326.377 3.552 20 0 EHADRM O=C([N-]c1nncs1)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000073516053 1128382761 /nfs/dbraw/zinc/38/27/61/1128382761.db2.gz JCRXJRBHMZRUSI-UHFFFAOYSA-N -1 0 344.010 3.799 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc3[n-]c(=S)oc3c2)c2ccccc2O1 ZINC000073584811 1128416260 /nfs/dbraw/zinc/41/62/60/1128416260.db2.gz WCOFXRDDQGSPTQ-JTQLQIEISA-N -1 0 326.377 3.918 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)s2)cc1C ZINC000473757967 1128453810 /nfs/dbraw/zinc/45/38/10/1128453810.db2.gz WSHZOUBXEVUHQL-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM OCC[C@H](N=c1nc(C2CC2)[n-]s1)c1cc(Cl)cc(Cl)c1 ZINC000624722397 1128498254 /nfs/dbraw/zinc/49/82/54/1128498254.db2.gz WNQOTBXZHQCOBQ-LBPRGKRZSA-N -1 0 344.267 3.680 20 0 EHADRM O=C(N[C@H]1COc2ccc(Cl)cc21)C(F)(F)c1ccccc1F ZINC000765862160 1128621899 /nfs/dbraw/zinc/62/18/99/1128621899.db2.gz KJCRDAJBHUEFIH-ZDUSSCGKSA-N -1 0 341.716 3.821 20 0 EHADRM O=C([O-])CCCCNC(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000388333582 1128727071 /nfs/dbraw/zinc/72/70/71/1128727071.db2.gz KUYZRBYESVRUAH-UHFFFAOYSA-N -1 0 338.713 3.735 20 0 EHADRM Fc1ccccc1[C@@H]1CC[C@H](N=c2[n-]nc(C3CCOCC3)s2)C1 ZINC000338716318 1128742609 /nfs/dbraw/zinc/74/26/09/1128742609.db2.gz KLUWAOODOUHIAF-KGLIPLIRSA-N -1 0 347.459 3.741 20 0 EHADRM Fc1cccc([C@H]2CC[C@@H](N=c3[n-]nc(C4CCOCC4)s3)C2)c1 ZINC000338720567 1128755547 /nfs/dbraw/zinc/75/55/47/1128755547.db2.gz YJTXFWFPDSXEEF-GOEBONIOSA-N -1 0 347.459 3.741 20 0 EHADRM COc1cc(C(=O)N[C@@H](C2CCC2)C2CCCCC2)cc(OC)c1O ZINC001143080542 1128842949 /nfs/dbraw/zinc/84/29/49/1128842949.db2.gz SMMVOEXPQSFXBJ-GOSISDBHSA-N -1 0 347.455 3.888 20 0 EHADRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2oc3ccccc3c2c1 ZINC000007056016 1128846628 /nfs/dbraw/zinc/84/66/28/1128846628.db2.gz AQSMQPDSKKCIJH-UHFFFAOYSA-N -1 0 342.376 3.992 20 0 EHADRM CC(C)CN=c1[n-]nc(SCc2cccc(-n3cccn3)c2)s1 ZINC000499497259 1128874816 /nfs/dbraw/zinc/87/48/16/1128874816.db2.gz OYLRNAAAQYHZJT-UHFFFAOYSA-N -1 0 345.497 3.506 20 0 EHADRM CC[C@@H](C)C[C@H](C)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cn1 ZINC001168692918 1128884471 /nfs/dbraw/zinc/88/44/71/1128884471.db2.gz ZRMNQODBLAQFSU-KGLIPLIRSA-N -1 0 348.472 3.514 20 0 EHADRM C[C@H]1CCC[C@H]1CNC(=O)c1cc(Cl)cc(Br)c1[O-] ZINC001650963711 1120048057 /nfs/dbraw/zinc/04/80/57/1120048057.db2.gz UCMAIASZNPBVPS-IUCAKERBSA-N -1 0 346.652 3.974 20 0 EHADRM CC[C@H](C)C[C@@H](C)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cn1 ZINC001168692920 1128886426 /nfs/dbraw/zinc/88/64/26/1128886426.db2.gz ZRMNQODBLAQFSU-UONOGXRCSA-N -1 0 348.472 3.514 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)s1 ZINC000063849470 1128902326 /nfs/dbraw/zinc/90/23/26/1128902326.db2.gz KMKFJGIPSCACNB-UHFFFAOYSA-N -1 0 325.455 3.782 20 0 EHADRM O=C(NCc1cc2ccccc2[nH]c1=O)c1cc(O)c2ccccc2c1 ZINC001648983755 1120322496 /nfs/dbraw/zinc/32/24/96/1120322496.db2.gz PEUPRHSEAKMODO-UHFFFAOYSA-N -1 0 344.370 3.729 20 0 EHADRM Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1cccc(C)c1F ZINC000184879949 1120391863 /nfs/dbraw/zinc/39/18/63/1120391863.db2.gz RJPQEDPHYWSJND-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM COc1cc(C)c([N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1F ZINC000187066382 1120485482 /nfs/dbraw/zinc/48/54/82/1120485482.db2.gz BXYYUFBGNAMCTK-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM CC(C)CC[C@H]1CCCN1C(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000494227161 1120507600 /nfs/dbraw/zinc/50/76/00/1120507600.db2.gz MQXOMQGYUGGDJO-GFCCVEGCSA-N -1 0 334.445 3.653 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)sc1Cl ZINC000190184298 1120629158 /nfs/dbraw/zinc/62/91/58/1120629158.db2.gz CYNFLIKOFUSKNF-UHFFFAOYSA-N -1 0 341.763 3.928 20 0 EHADRM Cc1ncc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)s1 ZINC000443468860 1120690754 /nfs/dbraw/zinc/69/07/54/1120690754.db2.gz VIGFEPNFGUAJFG-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)Cc1cccc2cccnc21)C(=O)[O-] ZINC000761952105 1121015237 /nfs/dbraw/zinc/01/52/37/1121015237.db2.gz QWGILMVPYXNXOZ-HXUWFJFHSA-N -1 0 342.439 3.707 20 0 EHADRM COc1ccc(/C=C\C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000762157101 1121139064 /nfs/dbraw/zinc/13/90/64/1121139064.db2.gz HREVKOCAPGIVIW-YRBHFNIASA-N -1 0 339.391 3.610 20 0 EHADRM Cc1c(O)ccc2c(CNc3cc(F)c(F)c(F)c3)cc(=O)oc12 ZINC000153537485 1121287546 /nfs/dbraw/zinc/28/75/46/1121287546.db2.gz IGLHVRWUWXIEKH-UHFFFAOYSA-N -1 0 335.281 3.836 20 0 EHADRM O=C(N[C@@H]1COc2ccc(Cl)cc21)c1ccc2[n-]c(=S)oc2c1 ZINC000762548976 1121349828 /nfs/dbraw/zinc/34/98/28/1121349828.db2.gz KDICQHHZYOAEIN-GFCCVEGCSA-N -1 0 346.795 3.633 20 0 EHADRM CC(C)c1cccc(O[C@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000236804646 1121464565 /nfs/dbraw/zinc/46/45/65/1121464565.db2.gz FUGGVXXTDMDPGY-CYBMUJFWSA-N -1 0 327.380 3.914 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000237372152 1121481687 /nfs/dbraw/zinc/48/16/87/1121481687.db2.gz JEOBNRSTNWBAHB-CRAIPNDOSA-N -1 0 331.456 3.653 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)CCSc2ccccc2F)c1 ZINC000238100183 1121502265 /nfs/dbraw/zinc/50/22/65/1121502265.db2.gz QYDFXAXFXSLQRT-UHFFFAOYSA-N -1 0 337.347 3.784 20 0 EHADRM Cc1ccc(O[C@H](C)C(=O)Nc2ccc3[n-]c(=S)oc3c2)cc1 ZINC000762968354 1121619609 /nfs/dbraw/zinc/61/96/09/1121619609.db2.gz WYHJJPSEFGKCOC-LLVKDONJSA-N -1 0 328.393 3.831 20 0 EHADRM CCCCN(CCCC)C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000499557686 1129004290 /nfs/dbraw/zinc/00/42/90/1129004290.db2.gz WFEOUTOOCCEOSP-UHFFFAOYSA-N -1 0 333.407 3.759 20 0 EHADRM CCc1nccn1[C@H](C)CC(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000648863962 1121751768 /nfs/dbraw/zinc/75/17/68/1121751768.db2.gz GJEGESSAFAGNCW-SECBINFHSA-N -1 0 325.771 3.533 20 0 EHADRM Cc1cc(NC(=O)c2cccc(OC(F)(F)F)c2)ccc1C(=O)[O-] ZINC000326280405 1121907046 /nfs/dbraw/zinc/90/70/46/1121907046.db2.gz CAGXTWUIIYASTB-UHFFFAOYSA-N -1 0 339.269 3.844 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2csc3ccccc23)cc1C ZINC000916172170 1122087880 /nfs/dbraw/zinc/08/78/80/1122087880.db2.gz JSEVAZXLDRVTQN-UHFFFAOYSA-N -1 0 345.445 3.637 20 0 EHADRM COC(=O)Nc1ccc(OC(=O)c2cc(F)c([O-])c(Cl)c2)cc1 ZINC000496692420 1122157869 /nfs/dbraw/zinc/15/78/69/1122157869.db2.gz DRDAIYXJZAPGJN-UHFFFAOYSA-N -1 0 339.706 3.582 20 0 EHADRM C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1)CC(C)(C)C ZINC000916651872 1122239342 /nfs/dbraw/zinc/23/93/42/1122239342.db2.gz VMWHAHWGUHZZAU-LLVKDONJSA-N -1 0 331.865 3.607 20 0 EHADRM O=C(Nc1cccc(NC(=O)c2ccc(F)cc2[O-])c1)c1ccoc1 ZINC000123592110 1122258134 /nfs/dbraw/zinc/25/81/34/1122258134.db2.gz WPMZSCYDNWXNJJ-UHFFFAOYSA-N -1 0 340.310 3.629 20 0 EHADRM C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1c([O-])cccc1F ZINC000124073303 1122274436 /nfs/dbraw/zinc/27/44/36/1122274436.db2.gz HLCYAJGGJQEXNJ-MEDUHNTESA-N -1 0 349.789 3.787 20 0 EHADRM CCOCc1cccc([N-]S(=O)(=O)c2cc(C)ccc2Cl)c1 ZINC000124361385 1122282067 /nfs/dbraw/zinc/28/20/67/1122282067.db2.gz FTLJGPOZYRZJGC-UHFFFAOYSA-N -1 0 339.844 3.986 20 0 EHADRM O=C(CCc1ccccc1O)Nc1ccc(O)c(C(F)(F)F)c1 ZINC000125390375 1122314918 /nfs/dbraw/zinc/31/49/18/1122314918.db2.gz DLGIXAYQKOOFAQ-UHFFFAOYSA-N -1 0 325.286 3.688 20 0 EHADRM CCc1cc(=O)[nH]c(CS[C@H](C)C(=O)Nc2ccc(C)c(C)c2)n1 ZINC000125539354 1122319757 /nfs/dbraw/zinc/31/97/57/1122319757.db2.gz IIPDGUHHHXXOIO-CYBMUJFWSA-N -1 0 345.468 3.622 20 0 EHADRM C[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1)CC(C)(C)C ZINC000916772118 1122350699 /nfs/dbraw/zinc/35/06/99/1122350699.db2.gz BSTRWJBSIOFXDI-LLVKDONJSA-N -1 0 331.865 3.607 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2c(F)cccc2Cl)c(C)c1 ZINC000125908638 1122356735 /nfs/dbraw/zinc/35/67/35/1122356735.db2.gz ARUUDSJWACJTAZ-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CC(C)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000126163642 1122389869 /nfs/dbraw/zinc/38/98/69/1122389869.db2.gz YOOKTCNWIMBPPY-UHFFFAOYSA-N -1 0 334.228 3.641 20 0 EHADRM CC(C)CCn1ccc([N-]S(=O)(=O)c2c(F)cccc2Cl)n1 ZINC000126290821 1122400071 /nfs/dbraw/zinc/40/00/71/1122400071.db2.gz NCTZWWILIJACOU-UHFFFAOYSA-N -1 0 345.827 3.523 20 0 EHADRM Cc1cnn(CCC(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)c1 ZINC000127769921 1122506940 /nfs/dbraw/zinc/50/69/40/1122506940.db2.gz WQSAHQUZTVBNQD-UHFFFAOYSA-N -1 0 348.617 3.886 20 0 EHADRM O=S(=O)([N-][C@@H]1CCC[C@H](C2CC2)C1)c1c(Cl)ccc(F)c1F ZINC001212229282 1122655935 /nfs/dbraw/zinc/65/59/35/1122655935.db2.gz LIGBNRZZMGUESO-WDEREUQCSA-N -1 0 349.830 3.865 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CCC2(CCCCO2)CC1 ZINC000922062603 1129069273 /nfs/dbraw/zinc/06/92/73/1129069273.db2.gz MPHOALNBDHSMRY-UHFFFAOYSA-N -1 0 343.345 3.586 20 0 EHADRM CCCCc1cc([N-]S(=O)(=O)c2cc(C)ccc2Cl)[nH]n1 ZINC000497848553 1122682524 /nfs/dbraw/zinc/68/25/24/1122682524.db2.gz XTDISKWYQGQVEU-UHFFFAOYSA-N -1 0 327.837 3.515 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(OC(C)C)nc2)c1 ZINC000498014504 1122726993 /nfs/dbraw/zinc/72/69/93/1122726993.db2.gz DKTXJMMWRNXVTA-UHFFFAOYSA-N -1 0 340.832 3.631 20 0 EHADRM COC(=O)c1cccc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC000154678621 1122779595 /nfs/dbraw/zinc/77/95/95/1122779595.db2.gz FBPXDHIFKNYANS-UHFFFAOYSA-N -1 0 340.162 3.738 20 0 EHADRM C[C@@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1cccc2ccccc21 ZINC000262722208 1122788071 /nfs/dbraw/zinc/78/80/71/1122788071.db2.gz QFSZVKJQSHCBGE-FVQBIDKESA-N -1 0 325.408 3.908 20 0 EHADRM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000070774444 1122921085 /nfs/dbraw/zinc/92/10/85/1122921085.db2.gz AXEVORGNPPMRMR-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM COc1ccc(OC(F)F)c(CNc2cccc(C(=O)[O-])c2C)c1 ZINC000556322407 1122928490 /nfs/dbraw/zinc/92/84/90/1122928490.db2.gz MMKDMIALUMTCOQ-UHFFFAOYSA-N -1 0 337.322 3.915 20 0 EHADRM Cc1ccc(-c2cc(C(=O)OCCO[C@H]3CCCC[C@@H]3C)n[nH]2)o1 ZINC000919328987 1123022278 /nfs/dbraw/zinc/02/22/78/1123022278.db2.gz KDIYHUPGQKBJAG-LRDDRELGSA-N -1 0 332.400 3.730 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1F ZINC000071978009 1123030753 /nfs/dbraw/zinc/03/07/53/1123030753.db2.gz JDEKQMPBEGRKTF-UHFFFAOYSA-N -1 0 347.770 3.818 20 0 EHADRM C[C@@H]1SCCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)[C@@H]1c1ccccc1 ZINC000262874420 1123061014 /nfs/dbraw/zinc/06/10/14/1123061014.db2.gz DKHKOPHSSLNUPD-HJWJTTGWSA-N -1 0 347.480 3.583 20 0 EHADRM CCCN(C(=O)N[C@@H](C)c1cc2ccccc2s1)[C@@H](C)C(=O)[O-] ZINC000556707694 1123089542 /nfs/dbraw/zinc/08/95/42/1123089542.db2.gz CODDLPMVHNYCQY-RYUDHWBXSA-N -1 0 334.441 3.857 20 0 EHADRM CC(C)n1cnc(S(=O)(=O)[N-]c2ccccc2OC2CCCC2)c1 ZINC000131746200 1123176119 /nfs/dbraw/zinc/17/61/19/1123176119.db2.gz ROPONSOIPGFVLN-UHFFFAOYSA-N -1 0 349.456 3.586 20 0 EHADRM Cc1cc2cccnc2c([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000132785826 1123300228 /nfs/dbraw/zinc/30/02/28/1123300228.db2.gz QXSXDVATAQESCV-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cnn1CC(C)C ZINC000499283547 1123334682 /nfs/dbraw/zinc/33/46/82/1123334682.db2.gz NXWHLANITXHBNI-UHFFFAOYSA-N -1 0 335.473 3.772 20 0 EHADRM Cc1cc(C(=O)[N-]c2nc(Sc3ccc(C)cc3)ns2)on1 ZINC000075178652 1123378345 /nfs/dbraw/zinc/37/83/45/1123378345.db2.gz QQTYOFUYSHUQPF-UHFFFAOYSA-N -1 0 332.410 3.546 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)c1cccc(Oc2nccs2)c1)C(=O)[O-] ZINC000649256757 1123451527 /nfs/dbraw/zinc/45/15/27/1123451527.db2.gz SFEXRMKKEDKSSD-RISCZKNCSA-N -1 0 348.424 3.555 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1ccc(C(=O)[O-])o1)c1ccc(F)cc1F ZINC000236716788 1123455986 /nfs/dbraw/zinc/45/59/86/1123455986.db2.gz ZKTXDBYLAFJYNQ-CQSZACIVSA-N -1 0 337.322 3.773 20 0 EHADRM CCC[C@@H](NC(=O)C[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000013468016 1129125866 /nfs/dbraw/zinc/12/58/66/1129125866.db2.gz FCYWJCLKAQZVLR-ZWKOTPCHSA-N -1 0 325.408 3.903 20 0 EHADRM C[C@H](CNC(=O)c1ccc(C(=O)[O-])o1)c1c(Cl)cccc1Cl ZINC000237486422 1123521261 /nfs/dbraw/zinc/52/12/61/1123521261.db2.gz BCPUFHCOIBVIMD-MRVPVSSYSA-N -1 0 342.178 3.818 20 0 EHADRM Cc1cccc(C2(CNC(=O)c3ccc(C(=O)[O-])o3)CCCC2)c1 ZINC000237930650 1123550948 /nfs/dbraw/zinc/55/09/48/1123550948.db2.gz QDGAHCCNTPWIGO-UHFFFAOYSA-N -1 0 327.380 3.528 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)c1 ZINC000238153564 1123566829 /nfs/dbraw/zinc/56/68/29/1123566829.db2.gz AYUCIUYOFGPAEJ-RYUDHWBXSA-N -1 0 335.281 3.544 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)c1 ZINC000238153106 1123566949 /nfs/dbraw/zinc/56/69/49/1123566949.db2.gz DOCNXIWGUMUIMC-OLZOCXBDSA-N -1 0 333.746 3.920 20 0 EHADRM COc1ccc(OC)c([C@H](C)NC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000078430689 1123627966 /nfs/dbraw/zinc/62/79/66/1123627966.db2.gz BECNMKIETQACBW-JTQLQIEISA-N -1 0 335.787 3.554 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)c(OC(C)C)c1 ZINC000263254563 1123658592 /nfs/dbraw/zinc/65/85/92/1123658592.db2.gz ICZIRYILTUDHIG-UHFFFAOYSA-N -1 0 343.379 3.741 20 0 EHADRM FC(F)(F)CN=c1[n-]nc(SCCCc2ccsc2)s1 ZINC000543032404 1129136852 /nfs/dbraw/zinc/13/68/52/1129136852.db2.gz ZGZFRXKUIGKEOC-UHFFFAOYSA-N -1 0 339.433 3.721 20 0 EHADRM Cc1cc(CCCC(=O)N2CCCC[C@H]2CCC(=O)[O-])c(C)s1 ZINC000237604281 1123787920 /nfs/dbraw/zinc/78/79/20/1123787920.db2.gz QXMHSLJBIGUIKT-INIZCTEOSA-N -1 0 337.485 3.934 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000237762979 1123850152 /nfs/dbraw/zinc/85/01/52/1123850152.db2.gz MKOFMSGOYPKIDW-RUDMXATFSA-N -1 0 345.782 3.764 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(C)[C@@H]2CCC[C@@H](C)C2)n1 ZINC000081658199 1123871293 /nfs/dbraw/zinc/87/12/93/1123871293.db2.gz NLFADHXCZDQLKR-IUODEOHRSA-N -1 0 345.418 3.676 20 0 EHADRM Cc1cccc(C2(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)CCCC2)c1 ZINC000237924902 1123913424 /nfs/dbraw/zinc/91/34/24/1123913424.db2.gz WIVBOWDTCSFNLX-QGZVFWFLSA-N -1 0 343.467 3.910 20 0 EHADRM C[C@H]1CCC(C)(C)N1C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000616165384 1123954747 /nfs/dbraw/zinc/95/47/47/1123954747.db2.gz JBTQMJOAUFBEKD-NSHDSACASA-N -1 0 333.819 3.634 20 0 EHADRM O=C(Nc1cc(F)c(Br)c(F)c1)c1cccc(F)c1[O-] ZINC001127606620 1124048562 /nfs/dbraw/zinc/04/85/62/1124048562.db2.gz UHBAVOQOORHKBX-UHFFFAOYSA-N -1 0 346.102 3.824 20 0 EHADRM CCCn1c(C(=O)N2CC[C@@](C(=O)[O-])(C(C)C)C2)cc2ccccc21 ZINC000263543125 1124051951 /nfs/dbraw/zinc/05/19/51/1124051951.db2.gz RVQMQEFQNJFQLE-FQEVSTJZSA-N -1 0 342.439 3.624 20 0 EHADRM Cc1ccc(OCc2ccccc2)c(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])c1 ZINC000263573174 1124616849 /nfs/dbraw/zinc/61/68/49/1124616849.db2.gz LZRINBNVARBJJL-HZPDHXFCSA-N -1 0 339.391 3.623 20 0 EHADRM CCc1oc(C(=O)N[C@H]2CC[C@H](Cc3ccccc3)C2)cc1C(=O)[O-] ZINC000263575644 1124641610 /nfs/dbraw/zinc/64/16/10/1124641610.db2.gz PISDXNJWKJEETF-CABCVRRESA-N -1 0 341.407 3.681 20 0 EHADRM CC(C)c1ccc(CCCNC(=O)c2n[n-]c3ccccc3c2=O)cc1 ZINC000735118084 1131308700 /nfs/dbraw/zinc/30/87/00/1131308700.db2.gz IRLOVTOCNBPCKJ-UHFFFAOYSA-N -1 0 349.434 3.821 20 0 EHADRM CC(C)[C@H](NC(=O)c1s[n-]c(=O)c1Cl)c1ccccc1F ZINC000617994272 1124899167 /nfs/dbraw/zinc/89/91/67/1124899167.db2.gz JCRWIJJTWRHXCB-NSHDSACASA-N -1 0 328.796 3.768 20 0 EHADRM O=S(=O)([N-]c1ncccc1-c1ccccc1)c1ccc(F)cc1 ZINC000092388852 1125095045 /nfs/dbraw/zinc/09/50/45/1125095045.db2.gz PAUFPQOKELXGRX-UHFFFAOYSA-N -1 0 328.368 3.689 20 0 EHADRM O=c1cc(C[C@@H]2CCCO2)[n-]n1Cc1ccc(Cl)cc1Cl ZINC000634591498 1125121478 /nfs/dbraw/zinc/12/14/78/1125121478.db2.gz FODWJBJONQHDQX-ZDUSSCGKSA-N -1 0 327.211 3.651 20 0 EHADRM CC1(C)CO[C@H](c2cccc(F)c2)CN1C(=O)c1c([O-])cccc1F ZINC000618794030 1125204297 /nfs/dbraw/zinc/20/42/97/1125204297.db2.gz MYCLGRUPSDTARA-INIZCTEOSA-N -1 0 347.361 3.663 20 0 EHADRM Cc1c(Br)cncc1CNc1cccc(CCC(=O)[O-])c1 ZINC000901555222 1125280095 /nfs/dbraw/zinc/28/00/95/1125280095.db2.gz QFTPWHNIYXNBLN-UHFFFAOYSA-N -1 0 349.228 3.782 20 0 EHADRM CC(=O)c1cc(F)c([N-]C(=O)c2scnc2Cl)c(F)c1F ZINC000763540094 1125328021 /nfs/dbraw/zinc/32/80/21/1125328021.db2.gz VGCSGYRXUNRKGT-UHFFFAOYSA-N -1 0 334.706 3.669 20 0 EHADRM Cc1cc([C@H]2CCN(C(=O)c3c([O-])cccc3F)C2)c(O)cc1Cl ZINC000619373157 1125338270 /nfs/dbraw/zinc/33/82/70/1125338270.db2.gz VAUFIZLGESANIH-NSHDSACASA-N -1 0 349.789 3.828 20 0 EHADRM CC(C)c1ccc(NC(=O)NNC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000182724944 1125357148 /nfs/dbraw/zinc/35/71/48/1125357148.db2.gz XRHLGDMCQTVFPI-UHFFFAOYSA-N -1 0 347.802 3.636 20 0 EHADRM CC(C)[C@@H](NC(=O)CSCC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000619757058 1125396054 /nfs/dbraw/zinc/39/60/54/1125396054.db2.gz FBVGZQXUPVYNKC-QGZVFWFLSA-N -1 0 337.485 3.615 20 0 EHADRM Cc1cc(-c2c[nH]c(C(=O)[O-])c2)nc2ccc(Br)cc12 ZINC000543117590 1129249003 /nfs/dbraw/zinc/24/90/03/1129249003.db2.gz SQSKVQIOSMODRC-UHFFFAOYSA-N -1 0 331.169 3.999 20 0 EHADRM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1c([O-])cc(F)cc1F ZINC000673403571 1129361145 /nfs/dbraw/zinc/36/11/45/1129361145.db2.gz FJKYOLOAVWMTKN-HNNXBMFYSA-N -1 0 335.350 3.902 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N2CC[C@@H](c3cccc(C)c3)C2)s1 ZINC000543285222 1129387832 /nfs/dbraw/zinc/38/78/32/1129387832.db2.gz UWQMUAMLQPBDKS-OAHLLOKOSA-N -1 0 344.484 3.632 20 0 EHADRM CCN=c1[n-]nc(SCc2nc(-c3ccsc3)oc2C)s1 ZINC000338848429 1129499713 /nfs/dbraw/zinc/49/97/13/1129499713.db2.gz QFIBTNINLOWUSH-UHFFFAOYSA-N -1 0 338.483 3.709 20 0 EHADRM Cc1cccc(O)c1C(=O)N(C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000624930466 1129594095 /nfs/dbraw/zinc/59/40/95/1129594095.db2.gz BBVLLYWEYXDRRA-PXNSSMCTSA-N -1 0 339.435 3.941 20 0 EHADRM CCOCc1cccc([N-]S(=O)(=O)c2cc(C)cc(C)c2OC)c1 ZINC000509067299 1129714733 /nfs/dbraw/zinc/71/47/33/1129714733.db2.gz OQRWYOZWQMGTNR-UHFFFAOYSA-N -1 0 349.452 3.649 20 0 EHADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C ZINC000509101444 1129747900 /nfs/dbraw/zinc/74/79/00/1129747900.db2.gz ZIEIKMTYVRLOOT-UHFFFAOYSA-N -1 0 345.342 3.823 20 0 EHADRM O=C(NCc1ccc(Cl)cc1)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000073843280 1129757005 /nfs/dbraw/zinc/75/70/05/1129757005.db2.gz LPMJRZVFVOVFJL-UHFFFAOYSA-N -1 0 345.811 3.581 20 0 EHADRM c1coc(-c2n[n-]c(=NCc3cnc(-c4ccsc4)s3)o2)c1 ZINC000347812998 1129862273 /nfs/dbraw/zinc/86/22/73/1129862273.db2.gz KGWHIEJQXLEOOV-UHFFFAOYSA-N -1 0 330.394 3.549 20 0 EHADRM O=C([O-])c1ccc(Nc2ncc(Br)cc2F)c(F)c1F ZINC001212510785 1129864654 /nfs/dbraw/zinc/86/46/54/1129864654.db2.gz AUEQOPCAKNIUTO-UHFFFAOYSA-N -1 0 347.090 3.703 20 0 EHADRM COc1ccc2ncc(Nc3ccc(C(=O)[O-])c(F)c3F)cc2c1 ZINC001212511010 1129872279 /nfs/dbraw/zinc/87/22/79/1129872279.db2.gz NYIKPNDWXQOXQN-UHFFFAOYSA-N -1 0 330.290 3.963 20 0 EHADRM O=C([O-])c1ccc(Nc2cnccc2Br)c(F)c1F ZINC001212511209 1129875840 /nfs/dbraw/zinc/87/58/40/1129875840.db2.gz XFFGIKPOUOVFCU-UHFFFAOYSA-N -1 0 329.100 3.564 20 0 EHADRM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2c[nH]c(C(C)C)n2)c1 ZINC000673883744 1129894859 /nfs/dbraw/zinc/89/48/59/1129894859.db2.gz AHKMKDZNFGPTER-LBPRGKRZSA-N -1 0 337.445 3.511 20 0 EHADRM CSc1ccc(NC(=O)C[C@@]2(C(=O)[O-])CCSC2)cc1Cl ZINC000673898728 1129896411 /nfs/dbraw/zinc/89/64/11/1129896411.db2.gz OSPFEGKUEOJGQM-AWEZNQCLSA-N -1 0 345.873 3.598 20 0 EHADRM O=C([O-])c1ccc(Nc2ccnn2-c2ccc(F)cc2)c(F)c1F ZINC001212511864 1129914763 /nfs/dbraw/zinc/91/47/63/1129914763.db2.gz JPXSAYSUAUHXRU-UHFFFAOYSA-N -1 0 333.269 3.731 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(OC(F)(F)F)nc2)c(F)c1F ZINC001212512161 1129920137 /nfs/dbraw/zinc/92/01/37/1129920137.db2.gz YCGVZSGZUITXDG-UHFFFAOYSA-N -1 0 334.200 3.700 20 0 EHADRM O=C([O-])c1ccc(Nc2cncc(OC(F)(F)F)c2)c(F)c1F ZINC001212512420 1129920678 /nfs/dbraw/zinc/92/06/78/1129920678.db2.gz LHCXZPJTQXQPHQ-UHFFFAOYSA-N -1 0 334.200 3.700 20 0 EHADRM O=C(NCc1ccc(O)c(F)c1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000163661232 1129943561 /nfs/dbraw/zinc/94/35/61/1129943561.db2.gz JAHGSKDFZOXTHY-AWEZNQCLSA-N -1 0 348.805 3.884 20 0 EHADRM CC[C@@H](c1n[n-]c(=NCc2ccn(C(F)F)n2)s1)c1ccccc1 ZINC000347879297 1129968218 /nfs/dbraw/zinc/96/82/18/1129968218.db2.gz ITVNOVNKTUAEFD-CYBMUJFWSA-N -1 0 349.410 3.706 20 0 EHADRM Cc1ccc(Cc2cnc(NC(=O)c3ncccc3[O-])s2)cc1F ZINC001626095489 1129970876 /nfs/dbraw/zinc/97/08/76/1129970876.db2.gz HMWJEKYPNZWUFX-UHFFFAOYSA-N -1 0 343.383 3.534 20 0 EHADRM O=S(=O)([N-]c1cccc(Cl)c1O)c1ccc(F)c(Cl)c1 ZINC000172516035 1130141510 /nfs/dbraw/zinc/14/15/10/1130141510.db2.gz WOONGGAKPXYYEB-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCC[C@@H]3C3CC3)n2)c1 ZINC000674604811 1130144254 /nfs/dbraw/zinc/14/42/54/1130144254.db2.gz UKUPJNLRKHUMAN-QGZVFWFLSA-N -1 0 339.439 3.716 20 0 EHADRM Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)CC(C)(C)C(=O)[O-] ZINC000674992228 1130237362 /nfs/dbraw/zinc/23/73/62/1130237362.db2.gz HLFFKDVSAWMCQC-HNNXBMFYSA-N -1 0 345.464 3.957 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000173478332 1130237988 /nfs/dbraw/zinc/23/79/88/1130237988.db2.gz ZKBIMRQEPCBQFZ-NEPJUHHUSA-N -1 0 345.782 3.559 20 0 EHADRM O=C(N[C@@H]1CCc2cc(F)c(F)c(F)c21)C(F)(F)c1ccccc1 ZINC001128948883 1130263889 /nfs/dbraw/zinc/26/38/89/1130263889.db2.gz GQSMVAFZKKAAGV-GFCCVEGCSA-N -1 0 341.279 3.999 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]c1ccn([C@H](C)c2ccccc2)n1 ZINC000675285083 1130302793 /nfs/dbraw/zinc/30/27/93/1130302793.db2.gz OOTWSBDYKFLSGK-OAHLLOKOSA-N -1 0 341.436 3.602 20 0 EHADRM Fc1ccc(-c2nc(-c3ccc4[n-]c(=S)sc4c3)no2)nc1 ZINC001212545215 1130345943 /nfs/dbraw/zinc/34/59/43/1130345943.db2.gz IMTUSEOUJDYERP-UHFFFAOYSA-N -1 0 330.369 3.836 20 0 EHADRM Cc1ccccc1[C@@H]1CN(C(=O)c2c([O-])cc(F)cc2F)[C@H](C)CO1 ZINC000174345337 1130352384 /nfs/dbraw/zinc/35/23/84/1130352384.db2.gz VOMJMOLNWBMQMR-PXAZEXFGSA-N -1 0 347.361 3.581 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cnn(CC3CC3)c2)cc1 ZINC000174768516 1130383649 /nfs/dbraw/zinc/38/36/49/1130383649.db2.gz PLGFCXKUGVENIR-CYBMUJFWSA-N -1 0 333.457 3.607 20 0 EHADRM Cc1c(NC(=O)CCCOc2ccc(F)cc2F)cccc1C(=O)[O-] ZINC000675966756 1130511200 /nfs/dbraw/zinc/51/12/00/1130511200.db2.gz TZDFJVUNCIIUHL-UHFFFAOYSA-N -1 0 349.333 3.769 20 0 EHADRM O=C([O-])Cn1ccc2cc(NC(=O)C[C@@H]3CCc4ccccc43)ccc21 ZINC000676016923 1130517750 /nfs/dbraw/zinc/51/77/50/1130517750.db2.gz AFPGKUABCQXTAT-HNNXBMFYSA-N -1 0 348.402 3.785 20 0 EHADRM CCCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)CCc1ccccc1 ZINC000727957484 1130613210 /nfs/dbraw/zinc/61/32/10/1130613210.db2.gz OPXLPSSLSSJNAK-INIZCTEOSA-N -1 0 339.501 3.672 20 0 EHADRM CC(C)(C(=O)[N-]OCCOc1ccccc1Cl)c1ccccc1 ZINC000731210815 1130776504 /nfs/dbraw/zinc/77/65/04/1130776504.db2.gz QKYCGOJGWXTMTJ-UHFFFAOYSA-N -1 0 333.815 3.744 20 0 EHADRM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1n[n-]c2ccccc2c1=O ZINC000732285025 1130909483 /nfs/dbraw/zinc/90/94/83/1130909483.db2.gz NWPYXWGXKKSAEZ-DZGCQCFKSA-N -1 0 327.428 3.670 20 0 EHADRM C[C@@H](O)CC(=O)Oc1c(Cl)c(Cl)c([O-])c(Cl)c1Cl ZINC001231133312 1131020659 /nfs/dbraw/zinc/02/06/59/1131020659.db2.gz RITZNFBZZMMIAG-GSVOUGTGSA-N -1 0 333.982 3.682 20 0 EHADRM CCC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000733676476 1131066088 /nfs/dbraw/zinc/06/60/88/1131066088.db2.gz HDQXXWDUOKFCKD-CQSZACIVSA-N -1 0 341.448 3.627 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)c2coc3ccccc23)cc1 ZINC000733676752 1131066334 /nfs/dbraw/zinc/06/63/34/1131066334.db2.gz VJVCJVKEWORNDW-UHFFFAOYSA-N -1 0 343.404 3.504 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)C(C)(C)COCc2ccccc2)c1 ZINC000282691419 1131142088 /nfs/dbraw/zinc/14/20/88/1131142088.db2.gz IZTUDXNBLUJBBA-UHFFFAOYSA-N -1 0 341.407 3.776 20 0 EHADRM CC[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1cccc(C)c1 ZINC000734080431 1131193729 /nfs/dbraw/zinc/19/37/29/1131193729.db2.gz QIXPHYGDSOUMFV-INIZCTEOSA-N -1 0 337.485 3.797 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1ccccc1C ZINC000734079799 1131193965 /nfs/dbraw/zinc/19/39/65/1131193965.db2.gz JELPOZIFZUFIQH-MRXNPFEDSA-N -1 0 337.485 3.797 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)cc1 ZINC000738561120 1131471405 /nfs/dbraw/zinc/47/14/05/1131471405.db2.gz RAEOBBHGVWHSOW-DUBFGTGDSA-N -1 0 343.329 3.805 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccccc2OCc2ccncc2)cc1 ZINC000738683721 1131480236 /nfs/dbraw/zinc/48/02/36/1131480236.db2.gz VBFIKKWBHVBZOZ-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM CC(C)c1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)c2ccccc2)cc1 ZINC000737355136 1131513654 /nfs/dbraw/zinc/51/36/54/1131513654.db2.gz ZXFWSVFDNSRMEN-AWEZNQCLSA-N -1 0 331.437 3.631 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccc(N2CCCCC2)cc1 ZINC000743048072 1131843499 /nfs/dbraw/zinc/84/34/99/1131843499.db2.gz VIQVOEHZQDSSNK-UHFFFAOYSA-N -1 0 336.482 3.848 20 0 EHADRM C/C(=C\C(=O)[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C)C(C)(C)C ZINC000744013842 1132007835 /nfs/dbraw/zinc/00/78/35/1132007835.db2.gz YGWDYSYPLRHZQW-JLHYYAGUSA-N -1 0 337.485 3.718 20 0 EHADRM C/C(=C/C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1)C(C)(C)C ZINC000744017483 1132008313 /nfs/dbraw/zinc/00/83/13/1132008313.db2.gz WXYOSLHNMCXEES-KTKRTIGZSA-N -1 0 349.374 3.503 20 0 EHADRM CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000744097451 1132022290 /nfs/dbraw/zinc/02/22/90/1132022290.db2.gz UHQLISPHXUTNHG-AWEZNQCLSA-N -1 0 348.468 3.646 20 0 EHADRM COc1ccc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)c(C)c1 ZINC001174023868 1132217927 /nfs/dbraw/zinc/21/79/27/1132217927.db2.gz NBFAGSZKNKZEAO-UHFFFAOYSA-N -1 0 327.789 3.647 20 0 EHADRM Cn1cc([N-]c2onc(-c3ccccc3)c2C(=O)OC(C)(C)C)cn1 ZINC001174330826 1132320774 /nfs/dbraw/zinc/32/07/74/1132320774.db2.gz FBKVYSDKYODXOU-UHFFFAOYSA-N -1 0 340.383 3.774 20 0 EHADRM Cc1ccc(N)cc1S(=O)(=O)[N-]c1cc(F)ccc1C(F)(F)F ZINC001174484397 1132369599 /nfs/dbraw/zinc/36/95/99/1132369599.db2.gz GFOKQUNKMFOABE-UHFFFAOYSA-N -1 0 348.321 3.536 20 0 EHADRM COc1ccc(Cn2nccc2Nc2cccc(/C=C/C(=O)[O-])c2)cc1 ZINC001174494822 1132370883 /nfs/dbraw/zinc/37/08/83/1132370883.db2.gz HTGKSINSHYCYDC-JXMROGBWSA-N -1 0 349.390 3.781 20 0 EHADRM CCOC(=O)c1ccc(NC)c(Nc2cccc(/C=C/C(=O)[O-])c2)c1 ZINC001174496930 1132371710 /nfs/dbraw/zinc/37/17/10/1132371710.db2.gz ZLNKRXXIWFTVNU-JXMROGBWSA-N -1 0 340.379 3.746 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2ccnc(F)c2Br)c1 ZINC001174495687 1132371807 /nfs/dbraw/zinc/37/18/07/1132371807.db2.gz VJQMRUZAXOJZAU-SNAWJCMRSA-N -1 0 337.148 3.825 20 0 EHADRM CCOC(=O)Cc1ccc(Nc2cccc(/C=C/C(=O)[O-])c2)cc1 ZINC001174496459 1132371950 /nfs/dbraw/zinc/37/19/50/1132371950.db2.gz NFXCMADBEIIZPP-DHZHZOJOSA-N -1 0 325.364 3.634 20 0 EHADRM CC(C)S(=O)(=O)c1ccccc1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174496557 1132372108 /nfs/dbraw/zinc/37/21/08/1132372108.db2.gz MRAHAFKIFAMNAF-ZHACJKMWSA-N -1 0 345.420 3.710 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2nccnc2OCc2ccccc2)c1 ZINC001174495870 1132372193 /nfs/dbraw/zinc/37/21/93/1132372193.db2.gz YXCIIFQQNXZIEP-MDZDMXLPSA-N -1 0 347.374 3.897 20 0 EHADRM Cc1nc(Br)ccc1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174495457 1132372379 /nfs/dbraw/zinc/37/23/79/1132372379.db2.gz RJHWMPHRJRDGJK-VMPITWQZSA-N -1 0 333.185 3.994 20 0 EHADRM COc1cc(OC)c(Nc2cccc(/C=C/C(=O)[O-])c2)c(OC)c1 ZINC001174499662 1132374760 /nfs/dbraw/zinc/37/47/60/1132374760.db2.gz JEIZCLBVFZWTNO-BQYQJAHWSA-N -1 0 329.352 3.554 20 0 EHADRM Cc1cc(S(=O)(=O)[O-])c(Nc2ccc3cn[nH]c3c2)cc1Cl ZINC001174501862 1132389982 /nfs/dbraw/zinc/38/99/82/1132389982.db2.gz KRVGGCSHFPMZJG-UHFFFAOYSA-N -1 0 337.788 3.515 20 0 EHADRM O=S(=O)([O-])c1ccc2c(cccc2Nc2ccc3cn[nH]c3c2)c1 ZINC001174501514 1132390779 /nfs/dbraw/zinc/39/07/79/1132390779.db2.gz WXUKXWJSDNOYGM-UHFFFAOYSA-N -1 0 339.376 3.706 20 0 EHADRM O=S(=O)([O-])c1cc(Cl)ccc1Nc1cccc(-c2cc[nH]n2)c1 ZINC001174508931 1132393191 /nfs/dbraw/zinc/39/31/91/1132393191.db2.gz VAZGVCDCXCTKRF-UHFFFAOYSA-N -1 0 349.799 3.720 20 0 EHADRM Cn1ccc2ccc(Nc3ccc(S(=O)(=O)[O-])cc3Cl)cc21 ZINC001174518168 1132397582 /nfs/dbraw/zinc/39/75/82/1132397582.db2.gz XCOIGAHKLRUQRI-UHFFFAOYSA-N -1 0 336.800 3.822 20 0 EHADRM O=C(N[C@H]1C[C@@H]1c1c(F)cccc1F)c1ccc2[n-]c(=S)oc2c1 ZINC000746271011 1132399472 /nfs/dbraw/zinc/39/94/72/1132399472.db2.gz AMOVKFXJAAWIEQ-ZANVPECISA-N -1 0 346.358 3.681 20 0 EHADRM COc1ccc(NC(=O)c2c([O-])cc(F)cc2F)cc1OC(C)C ZINC000184319243 1132406959 /nfs/dbraw/zinc/40/69/59/1132406959.db2.gz ZCQYGYZXGDJNLW-UHFFFAOYSA-N -1 0 337.322 3.719 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cncc(Br)c1C ZINC001174674410 1132432758 /nfs/dbraw/zinc/43/27/58/1132432758.db2.gz XWOMKIQTPCVNJD-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ccnn1-c1ccc(Cl)cc1 ZINC001174674776 1132432949 /nfs/dbraw/zinc/43/29/49/1132432949.db2.gz LIXBCFMJHZSJRJ-UHFFFAOYSA-N -1 0 343.770 3.976 20 0 EHADRM COc1cc(Nc2snnc2-c2ccccc2)ccc1C(=O)[O-] ZINC001174682359 1132434702 /nfs/dbraw/zinc/43/47/02/1132434702.db2.gz HBYVAQXTISJUKZ-UHFFFAOYSA-N -1 0 327.365 3.656 20 0 EHADRM COc1cc(Nc2cnc(C)c(Br)c2)ccc1C(=O)[O-] ZINC001174681054 1132434917 /nfs/dbraw/zinc/43/49/17/1132434917.db2.gz KAVLFRHFNMHQBM-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM COc1cc(Nc2ccccc2C(=O)OC(C)C)ccc1C(=O)[O-] ZINC001174685345 1132435784 /nfs/dbraw/zinc/43/57/84/1132435784.db2.gz RUZCHYQBKQYLTO-UHFFFAOYSA-N -1 0 329.352 3.702 20 0 EHADRM COc1cc(Nc2c(C)cnn2-c2cccc(F)c2)ccc1C(=O)[O-] ZINC001174684197 1132436084 /nfs/dbraw/zinc/43/60/84/1132436084.db2.gz ZSOZYBRVCCPBDG-UHFFFAOYSA-N -1 0 341.342 3.770 20 0 EHADRM Cc1cc(-n2cccn2)ccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000190375040 1132453343 /nfs/dbraw/zinc/45/33/43/1132453343.db2.gz BEOGHBCSVOLSBR-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM COc1ccc(Nc2ccc(CC(=O)[O-])cc2)c(Br)c1 ZINC001174952558 1132516360 /nfs/dbraw/zinc/51/63/60/1132516360.db2.gz WDRISYSJAJHJIF-UHFFFAOYSA-N -1 0 336.185 3.828 20 0 EHADRM O=C([O-])Cc1ccc(Nc2cc(F)ccc2OCC(F)F)cc1 ZINC001174953492 1132516461 /nfs/dbraw/zinc/51/64/61/1132516461.db2.gz UBOOFRVWANIJHE-UHFFFAOYSA-N -1 0 325.286 3.840 20 0 EHADRM O=C([O-])Cc1ccc(Nc2cc(Cl)ccc2N2CCOCC2)cc1 ZINC001174951823 1132516544 /nfs/dbraw/zinc/51/65/44/1132516544.db2.gz FJQXHWZZVBXCDX-UHFFFAOYSA-N -1 0 346.814 3.547 20 0 EHADRM CCOC(=O)Cc1ccc(Cl)c(Nc2ccc(CC(=O)[O-])cc2)c1 ZINC001174954442 1132517266 /nfs/dbraw/zinc/51/72/66/1132517266.db2.gz FQYVZQAXSCTXGO-UHFFFAOYSA-N -1 0 347.798 3.816 20 0 EHADRM Nc1cc(F)c(C(F)(F)F)cc1Nc1ccc(CC(=O)[O-])cc1 ZINC001174953657 1132517918 /nfs/dbraw/zinc/51/79/18/1132517918.db2.gz WQRHXHHVALMWNI-UHFFFAOYSA-N -1 0 328.265 3.797 20 0 EHADRM COC(=O)c1cc(Cl)cc(Nc2ccc(CC(=O)[O-])cc2)c1C ZINC001174956860 1132518212 /nfs/dbraw/zinc/51/82/12/1132518212.db2.gz QTCSUWFMMAVAFP-UHFFFAOYSA-N -1 0 333.771 3.806 20 0 EHADRM COc1ccc(NC(=O)CCSc2ccccc2)c(C(=O)[O-])c1 ZINC000391106853 1132518574 /nfs/dbraw/zinc/51/85/74/1132518574.db2.gz AHJNKKPHIPYXED-UHFFFAOYSA-N -1 0 331.393 3.514 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc3ccccc3c2)c(C)s1 ZINC000746432831 1132525092 /nfs/dbraw/zinc/52/50/92/1132525092.db2.gz UIIAJLSAEXIJAH-UHFFFAOYSA-N -1 0 345.445 3.637 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1ccc(F)nc1Br ZINC001174982163 1132534282 /nfs/dbraw/zinc/53/42/82/1132534282.db2.gz VASLDHTWPOEIKP-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM CCOC(=O)c1oc2ncccc2c1Nc1cc(C(=O)[O-])ccc1C ZINC001174980974 1132534586 /nfs/dbraw/zinc/53/45/86/1132534586.db2.gz DVCRJOORBVFHFL-UHFFFAOYSA-N -1 0 340.335 3.755 20 0 EHADRM CCOC(=O)c1c(F)cc(F)cc1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175161658 1132566858 /nfs/dbraw/zinc/56/68/58/1132566858.db2.gz LDJFTEXVPRIEIH-UHFFFAOYSA-N -1 0 339.269 3.722 20 0 EHADRM Cc1cc(Nc2ccc(C(=O)[O-])c(F)c2)n(-c2cccc(F)c2)n1 ZINC001175161687 1132568619 /nfs/dbraw/zinc/56/86/19/1132568619.db2.gz POXKYPQSIUUURQ-UHFFFAOYSA-N -1 0 329.306 3.901 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc3nnc(C4CCC4)n3c2)cc1F ZINC001175157409 1132569458 /nfs/dbraw/zinc/56/94/58/1132569458.db2.gz GFPZBALSSVEING-UHFFFAOYSA-N -1 0 326.331 3.578 20 0 EHADRM C[C@@H](C(=O)[N-]Oc1ccccc1)c1ccc(Br)s1 ZINC000773472053 1132593991 /nfs/dbraw/zinc/59/39/91/1132593991.db2.gz JEGOBQHHNASSGU-SECBINFHSA-N -1 0 326.215 3.724 20 0 EHADRM O=C([O-])c1cc(Nc2cc(F)ccc2OC[C@@H]2CCCO2)ccc1F ZINC001175218634 1132597845 /nfs/dbraw/zinc/59/78/45/1132597845.db2.gz IXHGXPOQYFWASR-ZDUSSCGKSA-N -1 0 349.333 3.964 20 0 EHADRM CCOc1ccc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)c(F)c1 ZINC001175254262 1132618211 /nfs/dbraw/zinc/61/82/11/1132618211.db2.gz UNSRCZXTKFIRNK-UHFFFAOYSA-N -1 0 345.779 3.868 20 0 EHADRM COC(=O)c1ncc(Cl)cc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175316743 1132636076 /nfs/dbraw/zinc/63/60/76/1132636076.db2.gz ZHLKXIPZVDSQME-UHFFFAOYSA-N -1 0 341.150 3.617 20 0 EHADRM COC(=O)[C@H]1CCc2cc(Nc3ccc(C(=O)[O-])c(Cl)c3)ccc21 ZINC001175320992 1132637743 /nfs/dbraw/zinc/63/77/43/1132637743.db2.gz MUBLIORKWWOTMB-AWEZNQCLSA-N -1 0 345.782 3.985 20 0 EHADRM COC(=O)c1c(F)ccc(Nc2ccc(C(=O)[O-])c(Cl)c2)c1F ZINC001175320520 1132638284 /nfs/dbraw/zinc/63/82/84/1132638284.db2.gz RQJCYXMWADANSN-UHFFFAOYSA-N -1 0 341.697 3.847 20 0 EHADRM O=C([O-])c1cccc(Nc2nc(Cl)ccc2Br)c1 ZINC001175328822 1132640313 /nfs/dbraw/zinc/64/03/13/1132640313.db2.gz NMNAFYPCVNEKIP-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM Nc1ccc(C(=O)Nc2ccc(Nc3cccc(C(=O)[O-])c3)cc2)cc1 ZINC001175330793 1132640778 /nfs/dbraw/zinc/64/07/78/1132640778.db2.gz CJAMWKJHXQDQAH-UHFFFAOYSA-N -1 0 347.374 3.963 20 0 EHADRM O=C([O-])c1cccc(Nc2cnc3c(Br)cccc3n2)c1 ZINC001175331124 1132641056 /nfs/dbraw/zinc/64/10/56/1132641056.db2.gz STDREJBFTNARMQ-UHFFFAOYSA-N -1 0 344.168 3.834 20 0 EHADRM O=C([O-])c1cccc(Nc2ccccc2S(=O)(=O)C2CCCC2)c1 ZINC001175334352 1132642319 /nfs/dbraw/zinc/64/23/19/1132642319.db2.gz DROCKWBITXNSSN-UHFFFAOYSA-N -1 0 345.420 3.845 20 0 EHADRM Cc1n[nH]c2ccc(Nc3ccc(S(=O)(=O)[O-])cc3Cl)cc12 ZINC001175701799 1132730597 /nfs/dbraw/zinc/73/05/97/1132730597.db2.gz HARXSEMYWMTLKK-UHFFFAOYSA-N -1 0 337.788 3.515 20 0 EHADRM CCCCc1ccc(-c2noc(-c3c(CO)cnc(C)c3[O-])n2)cc1 ZINC001212589776 1132758558 /nfs/dbraw/zinc/75/85/58/1132758558.db2.gz DLFJCECMLIHVGV-UHFFFAOYSA-N -1 0 339.395 3.648 20 0 EHADRM O=c1cc(CNc2cc(-c3ccccn3)nc(-c3ccccn3)c2)o[n-]1 ZINC001169485438 1132766591 /nfs/dbraw/zinc/76/65/91/1132766591.db2.gz MWIPITKHOQTFQL-UHFFFAOYSA-N -1 0 345.362 3.511 20 0 EHADRM Cc1cc(Nc2cncc(C(=O)[O-])c2)n(-c2ccc(Cl)cc2)n1 ZINC001175840921 1132772724 /nfs/dbraw/zinc/77/27/24/1132772724.db2.gz KSGRJEOYDMWDIE-UHFFFAOYSA-N -1 0 328.759 3.671 20 0 EHADRM COc1cc(Nc2cncc(C(=O)[O-])c2)c(Br)cc1C ZINC001175841578 1132772980 /nfs/dbraw/zinc/77/29/80/1132772980.db2.gz MJECQVXDHIQLDE-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM O=C([O-])c1cncc(Nc2cccnc2Oc2ccccc2F)c1 ZINC001175838102 1132773043 /nfs/dbraw/zinc/77/30/43/1132773043.db2.gz LTZVFRAGBQBDNG-UHFFFAOYSA-N -1 0 325.299 3.850 20 0 EHADRM Nc1ccc(SC(F)(F)F)cc1Nc1cncc(C(=O)[O-])c1 ZINC001175843165 1132773721 /nfs/dbraw/zinc/77/37/21/1132773721.db2.gz JPAZZJVZTJEESY-UHFFFAOYSA-N -1 0 329.303 3.718 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCc2cc(F)c(F)cc2C1 ZINC001176046106 1132821236 /nfs/dbraw/zinc/82/12/36/1132821236.db2.gz NCWHJTLVIWVBLC-UHFFFAOYSA-N -1 0 341.716 3.661 20 0 EHADRM COc1cc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)c(F)cc1F ZINC001176112093 1132849915 /nfs/dbraw/zinc/84/99/15/1132849915.db2.gz SVDUEZHMDFHOTF-UHFFFAOYSA-N -1 0 349.742 3.617 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000766846186 1132861428 /nfs/dbraw/zinc/86/14/28/1132861428.db2.gz ZYYUYKJIENFIOI-UHFFFAOYSA-N -1 0 335.359 3.951 20 0 EHADRM CS(=O)(=O)c1ccc(Nc2ccc(Cl)cc2[S-])c(F)c1 ZINC001176277708 1132888533 /nfs/dbraw/zinc/88/85/33/1132888533.db2.gz MQPFGEYDROMEHE-UHFFFAOYSA-N -1 0 331.821 3.915 20 0 EHADRM O=C([O-])Cn1cc(Nc2ccccc2-c2ccc(F)c(F)c2)cn1 ZINC001176267514 1132898191 /nfs/dbraw/zinc/89/81/91/1132898191.db2.gz QRJHKLCMDJCXLU-UHFFFAOYSA-N -1 0 329.306 3.657 20 0 EHADRM CCc1cc(Nc2ccc(OC)cc2S(=O)(=O)[O-])ccc1Cl ZINC001176393612 1132923471 /nfs/dbraw/zinc/92/34/71/1132923471.db2.gz OEOAVZYGIUOJJG-UHFFFAOYSA-N -1 0 341.816 3.901 20 0 EHADRM COC(=O)c1oc2cccc(F)c2c1Nc1csc(C(=O)[O-])c1 ZINC001176437051 1132928942 /nfs/dbraw/zinc/92/89/42/1132928942.db2.gz SKKGXPPFVIZICQ-UHFFFAOYSA-N -1 0 335.312 3.862 20 0 EHADRM O=C([O-])c1cc(Nc2cc(F)ccc2OC[C@@H]2CCCO2)cs1 ZINC001176438886 1132929216 /nfs/dbraw/zinc/92/92/16/1132929216.db2.gz DYLACSOGTYLMGO-LBPRGKRZSA-N -1 0 337.372 3.887 20 0 EHADRM CNc1ccc(Br)cc1Nc1csc(C(=O)[O-])c1 ZINC001176440510 1132929572 /nfs/dbraw/zinc/92/95/72/1132929572.db2.gz OJDAYEUTFUUMDK-UHFFFAOYSA-N -1 0 327.203 3.994 20 0 EHADRM Nc1cc2c(ccn2-c2csc(C(=O)[O-])c2)cc1Br ZINC001176440284 1132929685 /nfs/dbraw/zinc/92/96/85/1132929685.db2.gz GLKHFOXUJPKXPP-UHFFFAOYSA-N -1 0 337.198 3.735 20 0 EHADRM Nc1ccc(Br)c(F)c1Nc1csc(C(=O)[O-])c1 ZINC001176440540 1132929701 /nfs/dbraw/zinc/92/97/01/1132929701.db2.gz OVOPOXCLSDMMNB-UHFFFAOYSA-N -1 0 331.166 3.674 20 0 EHADRM Cc1oc(-c2cccs2)nc1C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC000767023834 1132931490 /nfs/dbraw/zinc/93/14/90/1132931490.db2.gz ZEYHEAAMDXVTEV-UHFFFAOYSA-N -1 0 348.424 3.571 20 0 EHADRM C[C@@H](CCOc1ccccc1)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000767089077 1132947917 /nfs/dbraw/zinc/94/79/17/1132947917.db2.gz SVKSEXDWNRVNQZ-LMRWQKIVSA-N -1 0 339.391 3.828 20 0 EHADRM C[C@@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)c1cccc(F)c1F ZINC000767133361 1132954895 /nfs/dbraw/zinc/95/48/95/1132954895.db2.gz CBKKUBXCXQNXNA-MRVPVSSYSA-N -1 0 334.347 3.886 20 0 EHADRM C[C@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)c1cccc(F)c1F ZINC000767133362 1132954903 /nfs/dbraw/zinc/95/49/03/1132954903.db2.gz CBKKUBXCXQNXNA-QMMMGPOBSA-N -1 0 334.347 3.886 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)c1 ZINC000767179911 1132958753 /nfs/dbraw/zinc/95/87/53/1132958753.db2.gz JQGPCTHZAUXXKM-HUUCEWRRSA-N -1 0 333.746 3.920 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2ncc(F)cc2Br)cc1 ZINC001176588340 1132961394 /nfs/dbraw/zinc/96/13/94/1132961394.db2.gz COGKWECUCRMKBD-ZZXKWVIFSA-N -1 0 337.148 3.825 20 0 EHADRM COc1cc(Nc2ccc(/C=C/C(=O)[O-])cc2)c(Br)cn1 ZINC001176588792 1132961465 /nfs/dbraw/zinc/96/14/65/1132961465.db2.gz GLYXWCNEKRQDHB-QPJJXVBHSA-N -1 0 349.184 3.694 20 0 EHADRM CCOC(=O)c1cccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1 ZINC001176587857 1132961504 /nfs/dbraw/zinc/96/15/04/1132961504.db2.gz AUIKNNCCIJQCBA-UHFFFAOYSA-N -1 0 325.364 3.723 20 0 EHADRM CC(C)(C)c1cnn2cc(Nc3ccc(/C=C/C(=O)[O-])cc3)cnc12 ZINC001176594015 1132963549 /nfs/dbraw/zinc/96/35/49/1132963549.db2.gz LCMNWQWPDWDBOQ-RMKNXTFCSA-N -1 0 336.395 3.868 20 0 EHADRM Cc1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)c(Br)n1 ZINC001176591506 1132963642 /nfs/dbraw/zinc/96/36/42/1132963642.db2.gz KKOHDAKTWXWDBA-WEVVVXLNSA-N -1 0 333.185 3.994 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2cnc3c(C(F)(F)F)cnn3c2)cc1 ZINC001176594437 1132963719 /nfs/dbraw/zinc/96/37/19/1132963719.db2.gz QYFAKXBKSUPGEV-ZZXKWVIFSA-N -1 0 348.284 3.590 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC001176596001 1132964160 /nfs/dbraw/zinc/96/41/60/1132964160.db2.gz ZTYKGMMZABCKCC-FPYGCLRLSA-N -1 0 342.370 3.504 20 0 EHADRM CC(=O)N1CCCc2ccc(Nc3ccc(/C=C/C(=O)[O-])cc3)cc21 ZINC001176596127 1132964568 /nfs/dbraw/zinc/96/45/68/1132964568.db2.gz XVLHRMHANKTEEJ-IZZDOVSWSA-N -1 0 336.391 3.827 20 0 EHADRM COC(=O)c1sc2ccncc2c1Nc1ccc(C(=O)[O-])cc1 ZINC001176709977 1132995332 /nfs/dbraw/zinc/99/53/32/1132995332.db2.gz BMZFLAJTGBIXLM-UHFFFAOYSA-N -1 0 328.349 3.525 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)c1cc2ccccc2o1 ZINC000767565636 1133020449 /nfs/dbraw/zinc/02/04/49/1133020449.db2.gz CTTPXUJAUZSSDP-UHFFFAOYSA-N -1 0 349.795 3.513 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000767571925 1133021091 /nfs/dbraw/zinc/02/10/91/1133021091.db2.gz SQIDTHHXTRGDCD-DGCLKSJQSA-N -1 0 343.876 3.670 20 0 EHADRM CCC(C)(CC)C(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000767980207 1133076207 /nfs/dbraw/zinc/07/62/07/1133076207.db2.gz CMZNEPMAGBMGGO-UHFFFAOYSA-N -1 0 345.464 3.985 20 0 EHADRM O=C(N[C@H]1CCCc2sccc21)c1ccc2[n-]c(=S)oc2c1 ZINC000768590123 1133161223 /nfs/dbraw/zinc/16/12/23/1133161223.db2.gz HDHJOVPYZWOPPD-NSHDSACASA-N -1 0 330.434 3.985 20 0 EHADRM CC(=O)c1cc(F)c([O-])c(NC(=O)c2ccc3c(c2)CCC=C3)c1 ZINC001178432882 1133162850 /nfs/dbraw/zinc/16/28/50/1133162850.db2.gz DWBMXNCSJNGQIE-UHFFFAOYSA-N -1 0 325.339 3.946 20 0 EHADRM C[C@@H](CC1CCCCC1)C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000262250972 1133229368 /nfs/dbraw/zinc/22/93/68/1133229368.db2.gz VMUYOUNWYTYEHK-KBXCAEBGSA-N -1 0 329.440 3.804 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000769245171 1133250319 /nfs/dbraw/zinc/25/03/19/1133250319.db2.gz DENROCVSJBPTIO-AWEZNQCLSA-N -1 0 346.795 3.712 20 0 EHADRM C[C@H]([N-]C(=O)C(F)(F)C(F)(F)Cl)c1nc(-c2ccccc2)c[nH]1 ZINC001179781884 1133279300 /nfs/dbraw/zinc/27/93/00/1133279300.db2.gz UIRRFSYZNUBYSQ-QMMMGPOBSA-N -1 0 349.715 3.721 20 0 EHADRM O=S(=O)([O-])c1cc(Cl)ccc1Nc1cc(F)cc(F)c1F ZINC001206405287 1133300989 /nfs/dbraw/zinc/30/09/89/1133300989.db2.gz ATMDXJCDPFZZQM-UHFFFAOYSA-N -1 0 337.706 3.748 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1sccc1Br ZINC000070164176 1133320598 /nfs/dbraw/zinc/32/05/98/1133320598.db2.gz FJQSOLALNFAOBD-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)c(Cl)n1 ZINC000769651921 1133325863 /nfs/dbraw/zinc/32/58/63/1133325863.db2.gz VCJSVBUGNYSUEU-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM O=C(CN1CCc2ccccc21)Nc1ccc2[n-]c(=S)sc2c1 ZINC001180288685 1133357408 /nfs/dbraw/zinc/35/74/08/1133357408.db2.gz PDDDYYUZSLHFQK-UHFFFAOYSA-N -1 0 341.461 3.586 20 0 EHADRM O=C(N[C@@H](C[C@H]1CCOC1)c1ccccc1)c1c(O)cccc1Cl ZINC000770096836 1133386358 /nfs/dbraw/zinc/38/63/58/1133386358.db2.gz NAAJCBJYMLCXAB-CJNGLKHVSA-N -1 0 345.826 3.943 20 0 EHADRM CSc1ccc([O-])c(C(=O)N=[S@@](C)(=O)c2cccc(F)c2)c1 ZINC001180567583 1133392895 /nfs/dbraw/zinc/39/28/95/1133392895.db2.gz IZWRXDDDGYPZEV-QFIPXVFZSA-N -1 0 339.413 3.550 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H](C)CC(C)(C)C)c(Cl)cc1F ZINC000774189152 1133628853 /nfs/dbraw/zinc/62/88/53/1133628853.db2.gz GOGMWWGBOFWBAC-SNVBAGLBSA-N -1 0 349.855 3.665 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCCC2(C)C)s1 ZINC000774235027 1133637730 /nfs/dbraw/zinc/63/77/30/1133637730.db2.gz INBCLBVZXFDDRO-LLVKDONJSA-N -1 0 343.514 3.677 20 0 EHADRM CCCC[C@](CC)(NC(=O)Cc1ccc([S-])cc1)C(=O)OCC ZINC001183189041 1133776814 /nfs/dbraw/zinc/77/68/14/1133776814.db2.gz CPAOUGCLPJNSHQ-SFHVURJKSA-N -1 0 337.485 3.536 20 0 EHADRM COc1c2ccccc2oc1CNC(=O)c1cc(F)cc(Cl)c1[O-] ZINC001183226366 1133781266 /nfs/dbraw/zinc/78/12/66/1133781266.db2.gz GLKJFYLXDOBGRQ-UHFFFAOYSA-N -1 0 349.745 3.870 20 0 EHADRM CC(C)(CC(=O)Nc1cc(=O)[n-]c(Cl)n1)c1ccccc1Cl ZINC001183871670 1133867236 /nfs/dbraw/zinc/86/72/36/1133867236.db2.gz SAWBOFRXLXXMCN-UHFFFAOYSA-N -1 0 340.210 3.795 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)N(CC(=O)[O-])[C@@H](C)CC ZINC000746692904 1134019720 /nfs/dbraw/zinc/01/97/20/1134019720.db2.gz GVFXLZAYFKSVLW-NKQSMMKRSA-N -1 0 333.428 3.589 20 0 EHADRM O=S(=O)([N-]c1cc(F)cc(C(F)(F)F)c1)c1ccsc1 ZINC001185382892 1134076161 /nfs/dbraw/zinc/07/61/61/1134076161.db2.gz OOZDEHIMGAZEOG-UHFFFAOYSA-N -1 0 325.308 3.707 20 0 EHADRM O=S(=O)([N-]c1cn(CC2CCC2)cn1)c1cc2ccccc2s1 ZINC001185432928 1134085546 /nfs/dbraw/zinc/08/55/46/1134085546.db2.gz IZSWHWYUQHISQI-UHFFFAOYSA-N -1 0 347.465 3.699 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)cc(Cl)n1 ZINC001185495923 1134098635 /nfs/dbraw/zinc/09/86/35/1134098635.db2.gz DOFVUEWSZLACKH-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1O ZINC001185828934 1134138545 /nfs/dbraw/zinc/13/85/45/1134138545.db2.gz LKSMMQFZGXGFIM-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc2ncc(F)cc12 ZINC001185836773 1134139030 /nfs/dbraw/zinc/13/90/30/1134139030.db2.gz WWVJKYXYUYHCIJ-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM CC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC001185836713 1134139285 /nfs/dbraw/zinc/13/92/85/1134139285.db2.gz USJVLPGIDWLFNG-UHFFFAOYSA-N -1 0 341.791 3.791 20 0 EHADRM Cc1nc(Br)cnc1Nc1c(F)ccc(O)c1Cl ZINC001250228828 1134168588 /nfs/dbraw/zinc/16/85/88/1134168588.db2.gz MJNMZOQKHXOQKQ-UHFFFAOYSA-N -1 0 332.560 3.789 20 0 EHADRM CC(C)C[C@@H](CC(=O)OC(C)(C)C)NC(=O)c1cccc([S-])c1 ZINC001186162482 1134172451 /nfs/dbraw/zinc/17/24/51/1134172451.db2.gz ABIIKNZQDPKWLU-AWEZNQCLSA-N -1 0 337.485 3.852 20 0 EHADRM COc1cccc(NC2CCN(C(=O)c3cccc([S-])c3)CC2)c1 ZINC001186149791 1134175819 /nfs/dbraw/zinc/17/58/19/1134175819.db2.gz VGMXCZBSRMANEC-UHFFFAOYSA-N -1 0 342.464 3.701 20 0 EHADRM O=S(=O)([N-]c1cnc2occc2c1)c1csc2ccccc21 ZINC001186464562 1134226131 /nfs/dbraw/zinc/22/61/31/1134226131.db2.gz WMGISTXEWFNGOQ-UHFFFAOYSA-N -1 0 330.390 3.843 20 0 EHADRM O=S(=O)([N-]c1ccon1)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC001186606129 1134239383 /nfs/dbraw/zinc/23/93/83/1134239383.db2.gz RVOYNAWBUYWDKO-UHFFFAOYSA-N -1 0 334.784 3.796 20 0 EHADRM O=C(Nc1cnc(-c2ccccc2)cn1)c1cc(F)c(F)c([O-])c1F ZINC001186766171 1134254867 /nfs/dbraw/zinc/25/48/67/1134254867.db2.gz CXGCNIWIJSIIAS-UHFFFAOYSA-N -1 0 345.280 3.519 20 0 EHADRM O=C(Nc1ccc(-c2ccncn2)cc1)c1cc(F)c(F)c([O-])c1F ZINC001186779858 1134256291 /nfs/dbraw/zinc/25/62/91/1134256291.db2.gz PVFPXBHMNJWMTE-UHFFFAOYSA-N -1 0 345.280 3.519 20 0 EHADRM COc1cnc2c(cccc2NC(=O)c2cc(F)c(F)c([O-])c2F)c1 ZINC001186778679 1134256819 /nfs/dbraw/zinc/25/68/19/1134256819.db2.gz DGDZTAIMKFGSJV-UHFFFAOYSA-N -1 0 348.280 3.619 20 0 EHADRM O=S(=O)(N[C@@H](Cc1ccccc1)C1CC1)c1sccc1Cl ZINC001186921986 1134275572 /nfs/dbraw/zinc/27/55/72/1134275572.db2.gz RKJDKSOUEJGBSD-AWEZNQCLSA-N -1 0 341.885 3.701 20 0 EHADRM O=S(=O)([N-]c1cc(C2CCC2)no1)c1cc2c(s1)CCCC2 ZINC001187180200 1134305745 /nfs/dbraw/zinc/30/57/45/1134305745.db2.gz OLCDTLNGLZSUPO-UHFFFAOYSA-N -1 0 338.454 3.683 20 0 EHADRM Cc1ccc(/C=C\S(=O)(=O)[N-]c2nnc(C3CCCCC3)o2)cc1 ZINC000775095616 1134306501 /nfs/dbraw/zinc/30/65/01/1134306501.db2.gz UPNAVABAKSOFEJ-QXMHVHEDSA-N -1 0 347.440 3.838 20 0 EHADRM O=S(=O)([N-]c1scnc1C1CC1)c1cc2c(s1)CCCC2 ZINC001187188972 1134307265 /nfs/dbraw/zinc/30/72/65/1134307265.db2.gz OJMLAOIFDIRCNO-UHFFFAOYSA-N -1 0 340.495 3.762 20 0 EHADRM O=S(=O)([N-]c1cncc2ccccc21)c1cc2c(s1)CCCC2 ZINC001187173622 1134310994 /nfs/dbraw/zinc/31/09/94/1134310994.db2.gz HRQWIVHSRMAORB-UHFFFAOYSA-N -1 0 344.461 3.976 20 0 EHADRM Cc1cc(C)c(O)c([N-]S(=O)(=O)c2cc3c(s2)CCCC3)c1 ZINC001187207317 1134314693 /nfs/dbraw/zinc/31/46/93/1134314693.db2.gz YMFSTGWDDBLYDN-UHFFFAOYSA-N -1 0 337.466 3.750 20 0 EHADRM CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)[N-]c2cccs2)cc1 ZINC001187428100 1134334589 /nfs/dbraw/zinc/33/45/89/1134334589.db2.gz IIWLFHMTZCLECD-UHFFFAOYSA-N -1 0 339.438 3.500 20 0 EHADRM CCC1(CC)CCC(NC(=O)CSc2n[n-]c(=S)s2)CC1 ZINC000789877952 1134340399 /nfs/dbraw/zinc/34/03/99/1134340399.db2.gz WPFFWXASLODVPL-UHFFFAOYSA-N -1 0 345.559 3.784 20 0 EHADRM O=C([O-])c1cc(NCc2cc(F)cc(Cl)c2)cc2c1OCCO2 ZINC000789904748 1134348378 /nfs/dbraw/zinc/34/83/78/1134348378.db2.gz ZJDRJUZFSQJOPX-UHFFFAOYSA-N -1 0 337.734 3.561 20 0 EHADRM Cc1ccc(-c2nsc([N-]C(=O)c3nc(Cl)cs3)n2)s1 ZINC000789932651 1134353538 /nfs/dbraw/zinc/35/35/38/1134353538.db2.gz XEVLZKFDJMKSEJ-UHFFFAOYSA-N -1 0 342.858 3.937 20 0 EHADRM Cc1cc([N-]S(=O)(=O)CCc2cccc3ccccc32)sn1 ZINC001187616128 1134356288 /nfs/dbraw/zinc/35/62/88/1134356288.db2.gz GVMOUMCZURONIT-UHFFFAOYSA-N -1 0 332.450 3.589 20 0 EHADRM O=S(=O)([N-]c1ccc(OCc2ccccc2)cc1)c1nccs1 ZINC001187848076 1134389665 /nfs/dbraw/zinc/38/96/65/1134389665.db2.gz RGFNLCIWRCFVJB-UHFFFAOYSA-N -1 0 346.433 3.523 20 0 EHADRM O=S(=O)([N-]c1ccc(OC2CCCCC2)cc1)c1nccs1 ZINC001187900431 1134394488 /nfs/dbraw/zinc/39/44/88/1134394488.db2.gz PPZNCYHSGIXJFC-UHFFFAOYSA-N -1 0 338.454 3.655 20 0 EHADRM O=S(=O)(NC1(c2ccccc2)CCCCCC1)c1nccs1 ZINC001187909235 1134396162 /nfs/dbraw/zinc/39/61/62/1134396162.db2.gz YBJCFSRISGBDOI-UHFFFAOYSA-N -1 0 336.482 3.671 20 0 EHADRM CC(C)[C@@H](NC(=O)c1cccc(Cl)c1[O-])[C@@H](O)c1ccccc1 ZINC000790394876 1134408901 /nfs/dbraw/zinc/40/89/01/1134408901.db2.gz GFTDKZMCJVMKDD-CVEARBPZSA-N -1 0 333.815 3.534 20 0 EHADRM C=Cc1ccccc1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC001188071382 1134422912 /nfs/dbraw/zinc/42/29/12/1134422912.db2.gz SJPRWEUYUSJCCM-UHFFFAOYSA-N -1 0 329.208 3.832 20 0 EHADRM C=Cc1cccc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c1 ZINC001188076835 1134424990 /nfs/dbraw/zinc/42/49/90/1134424990.db2.gz POOOJDZEOFDUKY-UHFFFAOYSA-N -1 0 329.208 3.832 20 0 EHADRM Cc1cc(=O)[nH]c(CSCCOc2ccc(Cl)c(F)c2)n1 ZINC000790558879 1134435400 /nfs/dbraw/zinc/43/54/00/1134435400.db2.gz LZGMKYSBQJCVBM-UHFFFAOYSA-N -1 0 328.796 3.595 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])c1ccc(NC(=O)NCc2ccco2)cc1 ZINC001188176827 1134437022 /nfs/dbraw/zinc/43/70/22/1134437022.db2.gz YLVUVYRXYQWUOK-HNNXBMFYSA-N -1 0 330.384 3.816 20 0 EHADRM Cc1cc(C2CC2)nc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)n1 ZINC000790642403 1134444835 /nfs/dbraw/zinc/44/48/35/1134444835.db2.gz LTMRSMMKSLQRLE-CMDGGOBGSA-N -1 0 349.843 3.728 20 0 EHADRM CCc1cc(C(=O)Nc2cc(Br)ccc2O)cc(C)n1 ZINC001188342227 1134453273 /nfs/dbraw/zinc/45/32/73/1134453273.db2.gz FDRDRLGQTQLEMS-UHFFFAOYSA-N -1 0 335.201 3.673 20 0 EHADRM O=S(=O)([N-]c1ccc(C(F)(F)F)c(Cl)c1)c1ccoc1 ZINC001188607131 1134481419 /nfs/dbraw/zinc/48/14/19/1134481419.db2.gz XZYHIRALVHCECP-UHFFFAOYSA-N -1 0 325.695 3.753 20 0 EHADRM O=C(Nc1ccccc1-c1ccc(Cl)cn1)c1ccncc1[O-] ZINC001188637330 1134492384 /nfs/dbraw/zinc/49/23/84/1134492384.db2.gz SLKIWGJNJRUEDY-UHFFFAOYSA-N -1 0 325.755 3.755 20 0 EHADRM Cc1ccc(/C=C\S(=O)(=O)[N-][C@](C)(C2CC2)C(F)(F)F)cc1 ZINC000775208846 1134520086 /nfs/dbraw/zinc/52/00/86/1134520086.db2.gz DZIPSIUVPLKRSH-CFYYFVFUSA-N -1 0 333.375 3.616 20 0 EHADRM Cc1nc(N)sc1C(=O)Nc1cc(Cl)c(C)c(Cl)c1[O-] ZINC001189284274 1134560586 /nfs/dbraw/zinc/56/05/86/1134560586.db2.gz MTWKRLIWSLPEIJ-UHFFFAOYSA-N -1 0 332.212 3.607 20 0 EHADRM CC(C)n1cnc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)c1 ZINC001189364886 1134581699 /nfs/dbraw/zinc/58/16/99/1134581699.db2.gz VVXJQQCVKCVOAI-UHFFFAOYSA-N -1 0 333.388 3.557 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)s2)c1 ZINC001189586040 1134604048 /nfs/dbraw/zinc/60/40/48/1134604048.db2.gz CWMIJGHXIPUEOM-UHFFFAOYSA-N -1 0 338.237 3.864 20 0 EHADRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000775295987 1134617066 /nfs/dbraw/zinc/61/70/66/1134617066.db2.gz XILHINWTUSHXKC-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM COc1ccc(-c2nnsc2Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC001203286577 1134639588 /nfs/dbraw/zinc/63/95/88/1134639588.db2.gz KHPVHGSMABZJGN-UHFFFAOYSA-N -1 0 345.355 3.795 20 0 EHADRM O=C(Nc1cccn2nccc12)c1cc(Br)ccc1[S-] ZINC001189953751 1134641777 /nfs/dbraw/zinc/64/17/77/1134641777.db2.gz QWQLOOBELZYVQH-UHFFFAOYSA-N -1 0 348.225 3.638 20 0 EHADRM Cc1cc(C)c(C)c(C([O-])=CS(=O)(=O)c2ccc(F)cc2)c1C ZINC001190121459 1134662209 /nfs/dbraw/zinc/66/22/09/1134662209.db2.gz YSNIBHKDMDWIRH-UHFFFAOYSA-N -1 0 334.412 3.716 20 0 EHADRM Cc1c(NC(=O)c2c([O-])cccc2Cl)cccc1NC(=O)N(C)C ZINC000792551494 1134697432 /nfs/dbraw/zinc/69/74/32/1134697432.db2.gz JMIMXOHXMWBCLT-UHFFFAOYSA-N -1 0 347.802 3.700 20 0 EHADRM CCOc1ccc(NS(=O)(=O)c2ccc(C3CC3)cc2)cc1F ZINC001190506966 1134707496 /nfs/dbraw/zinc/70/74/96/1134707496.db2.gz OWKHJAPXRRMINC-UHFFFAOYSA-N -1 0 335.400 3.903 20 0 EHADRM COc1c([N-]S(=O)(=O)c2ccc(C3CC3)cc2)ccc(F)c1F ZINC001190511627 1134708697 /nfs/dbraw/zinc/70/86/97/1134708697.db2.gz JOKCTCPOXCYHHL-UHFFFAOYSA-N -1 0 339.363 3.652 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2cccc(Cl)c2)cc1)c1ncc[nH]1 ZINC001190728332 1134743321 /nfs/dbraw/zinc/74/33/21/1134743321.db2.gz PNGTZDINGBTHEG-UHFFFAOYSA-N -1 0 333.800 3.531 20 0 EHADRM O=c1cc(-c2nc(-c3cccc4ccoc43)no2)[n-]n1-c1ccccc1 ZINC001212602411 1134765567 /nfs/dbraw/zinc/76/55/67/1134765567.db2.gz YFMNJVFPCVUHQZ-UHFFFAOYSA-N -1 0 344.330 3.624 20 0 EHADRM O=S(=O)([N-]c1cc(C2CCCCC2)ccc1O)c1ccncc1 ZINC001190903293 1134767945 /nfs/dbraw/zinc/76/79/45/1134767945.db2.gz BQPPSDJBPOINIS-UHFFFAOYSA-N -1 0 332.425 3.636 20 0 EHADRM CCCOc1ccccc1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001191003785 1134777969 /nfs/dbraw/zinc/77/79/69/1134777969.db2.gz MKHUWGFAZXZSPH-UHFFFAOYSA-N -1 0 337.379 3.619 20 0 EHADRM COc1cc(C(=O)Nc2ccc(C(=O)C3CC3)cc2)cc(Cl)c1[O-] ZINC001191148684 1134801808 /nfs/dbraw/zinc/80/18/08/1134801808.db2.gz PTSQZRAJKZNCLY-UHFFFAOYSA-N -1 0 345.782 3.899 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(Cl)cnc2C)c1 ZINC001191152364 1134803247 /nfs/dbraw/zinc/80/32/47/1134803247.db2.gz XRODTMSSUNSGPK-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2nc(C)ccc2OC)cc1 ZINC001191232959 1134832422 /nfs/dbraw/zinc/83/24/22/1134832422.db2.gz HCMGLNPKXVNXQZ-UHFFFAOYSA-N -1 0 334.441 3.542 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2ncc(Cl)cc2O)cc1 ZINC001191233803 1134832900 /nfs/dbraw/zinc/83/29/00/1134832900.db2.gz RWQRZZZZDHIYCS-UHFFFAOYSA-N -1 0 340.832 3.584 20 0 EHADRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cnc2occc2c1 ZINC001191671942 1134897580 /nfs/dbraw/zinc/89/75/80/1134897580.db2.gz ZECAOXXHYPRYEC-UHFFFAOYSA-N -1 0 346.408 3.761 20 0 EHADRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ncc(C)cc1C ZINC001191661631 1134900831 /nfs/dbraw/zinc/90/08/31/1134900831.db2.gz JGHBBJHIJOGJQN-UHFFFAOYSA-N -1 0 334.441 3.631 20 0 EHADRM C[C@H]1CC[C@H](NC(=O)Nc2c(Cl)c(F)[n-]c(=O)c2Cl)CC1 ZINC001191794696 1134924638 /nfs/dbraw/zinc/92/46/38/1134924638.db2.gz FUMQDHGTLYMKDU-LJGSYFOKSA-N -1 0 336.194 3.933 20 0 EHADRM COc1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2F)c(F)c1 ZINC001191857221 1134928339 /nfs/dbraw/zinc/92/83/39/1134928339.db2.gz YYNAZZXAFXLRAP-UHFFFAOYSA-N -1 0 347.770 3.569 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(C)c(OC)cc1C ZINC001191834604 1134933932 /nfs/dbraw/zinc/93/39/32/1134933932.db2.gz QIZSSHKASJLFOY-UHFFFAOYSA-N -1 0 349.452 3.820 20 0 EHADRM C[C@H]1CCCC[C@H]1OCC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000747149090 1134996745 /nfs/dbraw/zinc/99/67/45/1134996745.db2.gz FTPDPYIMMCYVSA-SWLSCSKDSA-N -1 0 345.361 3.849 20 0 EHADRM CC(C)(C)c1ccc(C(=O)Nc2cnn3ccc(Cl)nc23)c(O)c1 ZINC001192313611 1134996878 /nfs/dbraw/zinc/99/68/78/1134996878.db2.gz DYXXKBMZMYJTMN-UHFFFAOYSA-N -1 0 344.802 3.638 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1cnc(Cl)cc1C ZINC001192361115 1135006039 /nfs/dbraw/zinc/00/60/39/1135006039.db2.gz RPIDDZPGBRTELQ-UHFFFAOYSA-N -1 0 340.832 3.633 20 0 EHADRM CCCCC[C@@H](C)CC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000794004367 1135012598 /nfs/dbraw/zinc/01/25/98/1135012598.db2.gz KRQHHQJULMVNCC-BPQIPLTHSA-N -1 0 331.456 3.920 20 0 EHADRM CSCCO[N-]C(=O)C1(Sc2ccc(C)cc2)CCCC1 ZINC000794189142 1135025737 /nfs/dbraw/zinc/02/57/37/1135025737.db2.gz VRRBAUDXGCMARX-UHFFFAOYSA-N -1 0 325.499 3.811 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(C3CCC3)n2)cnc1Cl ZINC001192534515 1135032568 /nfs/dbraw/zinc/03/25/68/1135032568.db2.gz UMABRHDJBRHNNK-UHFFFAOYSA-N -1 0 337.832 3.507 20 0 EHADRM COc1cc(Cl)cc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)c1 ZINC001192572238 1135038825 /nfs/dbraw/zinc/03/88/25/1135038825.db2.gz SNPLXYUVAFFSBC-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CCN(C(=O)c1c([O-])ccc(F)c1F)[C@H](C)Cc1ccc(OC)cc1 ZINC001192717998 1135051153 /nfs/dbraw/zinc/05/11/53/1135051153.db2.gz OCVZHOCZNCAGOO-GFCCVEGCSA-N -1 0 349.377 3.772 20 0 EHADRM O=C(NCC1(c2ccc(Cl)cc2)CC1)c1c([O-])ccc(F)c1F ZINC001192769861 1135053629 /nfs/dbraw/zinc/05/36/29/1135053629.db2.gz PLPUGTIBPDDUFC-UHFFFAOYSA-N -1 0 337.753 3.785 20 0 EHADRM O=C(N=c1cc[nH]cc1Oc1ccccc1)c1ccc(F)c(F)c1[O-] ZINC001192783867 1135054517 /nfs/dbraw/zinc/05/45/17/1135054517.db2.gz DFCUDSLWTHKDEJ-UHFFFAOYSA-N -1 0 342.301 3.532 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(ccn3C)c2)c1 ZINC001192805960 1135056931 /nfs/dbraw/zinc/05/69/31/1135056931.db2.gz XVXJDABTGQOUGK-UHFFFAOYSA-N -1 0 344.436 3.550 20 0 EHADRM O=C(Nc1cc(F)cc(Br)c1)c1ccc([O-])c(F)c1F ZINC001192841222 1135064197 /nfs/dbraw/zinc/06/41/97/1135064197.db2.gz WZDQOTOIVAZJCY-UHFFFAOYSA-N -1 0 346.102 3.824 20 0 EHADRM O=C(c1cc(Cl)nc(Cl)c1[O-])N1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001193090903 1135097943 /nfs/dbraw/zinc/09/79/43/1135097943.db2.gz RBJNNJRIQPJPHG-AOOOYVTPSA-N -1 0 349.217 3.821 20 0 EHADRM CC(C)(C)C1CCN(C(=O)c2cc(Cl)nc(Cl)c2[O-])CC1 ZINC001193084235 1135097976 /nfs/dbraw/zinc/09/79/76/1135097976.db2.gz RBAKGCZXIMBRSM-UHFFFAOYSA-N -1 0 331.243 3.992 20 0 EHADRM CC(=O)c1ccc(NC(=O)c2cc(Cl)nc(Cl)c2[O-])c(F)c1 ZINC001193089755 1135098858 /nfs/dbraw/zinc/09/88/58/1135098858.db2.gz NIWMVYBPECFBNL-UHFFFAOYSA-N -1 0 343.141 3.688 20 0 EHADRM CC(=O)c1cccc(NC(=O)c2cc(Cl)nc(Cl)c2[O-])c1C ZINC001193094059 1135106204 /nfs/dbraw/zinc/10/62/04/1135106204.db2.gz SMSDYIIVVFKJDW-UHFFFAOYSA-N -1 0 339.178 3.857 20 0 EHADRM COc1nc(C)c(C(=O)Nc2c(Cl)ccc([O-])c2Cl)s1 ZINC001193490581 1135143046 /nfs/dbraw/zinc/14/30/46/1135143046.db2.gz JFSGUNXMNOETBK-UHFFFAOYSA-N -1 0 333.196 3.725 20 0 EHADRM O=C(Nc1ccc2ccccc2c1S(=O)(=O)[O-])OC1CCCCC1 ZINC001193632150 1135162619 /nfs/dbraw/zinc/16/26/19/1135162619.db2.gz AYRFSMQANZMNTE-UHFFFAOYSA-N -1 0 349.408 3.968 20 0 EHADRM O=C(Nc1cccc(-c2nnco2)c1)c1ccc(O)cc1C(F)(F)F ZINC001193745186 1135176746 /nfs/dbraw/zinc/17/67/46/1135176746.db2.gz FJKWDYNHWGKHMH-UHFFFAOYSA-N -1 0 349.268 3.713 20 0 EHADRM O=S(=O)([N-]c1cccc(F)c1)c1cc(F)cc(Br)c1 ZINC001193757221 1135182969 /nfs/dbraw/zinc/18/29/69/1135182969.db2.gz RKVDUDSVXXQECR-UHFFFAOYSA-N -1 0 348.168 3.528 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cn3ccccc3n2)c2ccccc12 ZINC001193834169 1135190998 /nfs/dbraw/zinc/19/09/98/1135190998.db2.gz KDJWCMZUDQJULX-UHFFFAOYSA-N -1 0 337.404 3.597 20 0 EHADRM CCCc1cc([N-]S(=O)(=O)c2ccc(C)c3ccccc32)on1 ZINC001193833991 1135191061 /nfs/dbraw/zinc/19/10/61/1135191061.db2.gz SDXMQIIFVTWSNT-UHFFFAOYSA-N -1 0 330.409 3.890 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCO3)c2ccccc12 ZINC001193863101 1135197751 /nfs/dbraw/zinc/19/77/51/1135197751.db2.gz IIQTWEXKOJXYGH-UHFFFAOYSA-N -1 0 339.416 3.884 20 0 EHADRM Cc1ccc(-c2ccccc2[N-]S(=O)(=O)c2ccccc2N)o1 ZINC001193933023 1135200794 /nfs/dbraw/zinc/20/07/94/1135200794.db2.gz WUPLMYMMJHHRNN-UHFFFAOYSA-N -1 0 328.393 3.638 20 0 EHADRM COCCCO[N-]C(=O)C(C)(C)c1ccc(-c2ccccc2)cc1 ZINC000805041787 1135228513 /nfs/dbraw/zinc/22/85/13/1135228513.db2.gz LZACEWVGFXEAEH-UHFFFAOYSA-N -1 0 327.424 3.716 20 0 EHADRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)N(C)[C@H]1CCc2ccccc21 ZINC001194270198 1135253563 /nfs/dbraw/zinc/25/35/63/1135253563.db2.gz KFCXVAXBLPUZPU-SFHVURJKSA-N -1 0 347.418 3.646 20 0 EHADRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)N(C)CC1CCCCC1 ZINC001194271091 1135253579 /nfs/dbraw/zinc/25/35/79/1135253579.db2.gz XNMRMKDYCCKULS-UHFFFAOYSA-N -1 0 327.428 3.539 20 0 EHADRM COc1c(F)ccc(F)c1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000805256761 1135253831 /nfs/dbraw/zinc/25/38/31/1135253831.db2.gz WNRKRFABCROAEW-UHFFFAOYSA-N -1 0 331.677 3.724 20 0 EHADRM O=Cc1cn(CC(=O)Nc2cc(Cl)c([O-])cc2F)c2ccccc12 ZINC000805260037 1135254640 /nfs/dbraw/zinc/25/46/40/1135254640.db2.gz XVRKAPFXQPVFJZ-UHFFFAOYSA-N -1 0 346.745 3.591 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2cccc3c(Cl)cccc32)n1 ZINC001194404513 1135265207 /nfs/dbraw/zinc/26/52/07/1135265207.db2.gz RNOJQZMHRMUPFF-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1cccc2c(Cl)cccc21 ZINC001194411299 1135266067 /nfs/dbraw/zinc/26/60/67/1135266067.db2.gz KYQGTOZIQGKKEX-UHFFFAOYSA-N -1 0 349.843 3.644 20 0 EHADRM COc1cncc([N-]S(=O)(=O)c2cccc3c(Cl)cccc32)c1 ZINC001194411613 1135266659 /nfs/dbraw/zinc/26/66/59/1135266659.db2.gz WRUMZZBXSFSTKR-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM COc1ccc(OC(=O)Nc2c(Cl)c(F)[n-]c(=O)c2Cl)cc1 ZINC001194496998 1135278247 /nfs/dbraw/zinc/27/82/47/1135278247.db2.gz HVNJGOVWCDMOIK-UHFFFAOYSA-N -1 0 347.129 3.853 20 0 EHADRM Cc1ccc(C)c([N-]S(=O)(=O)c2ncccc2C(F)(F)F)c1 ZINC001194524892 1135281106 /nfs/dbraw/zinc/28/11/06/1135281106.db2.gz ZWFGMOVSDBPLER-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM C=Cc1ccccc1[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC001194572477 1135287258 /nfs/dbraw/zinc/28/72/58/1135287258.db2.gz VPXAXFRWOWAJLV-UHFFFAOYSA-N -1 0 328.315 3.544 20 0 EHADRM CC1(C)CC[C@@H](O)[C@H](NC(=O)c2cc(Cl)c3ccccc3c2[O-])C1 ZINC001170488346 1135330203 /nfs/dbraw/zinc/33/02/03/1135330203.db2.gz IYHXLYFDBVIEBT-HZPDHXFCSA-N -1 0 347.842 3.868 20 0 EHADRM CN(C)S(=O)(=O)c1ccccc1Nc1cc(Cl)ccc1[S-] ZINC001194884963 1135334713 /nfs/dbraw/zinc/33/47/13/1135334713.db2.gz UFHUJTNXBMWKNQ-UHFFFAOYSA-N -1 0 342.873 3.623 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCCCC(C)(C)C)c(F)c1 ZINC000805890189 1135344218 /nfs/dbraw/zinc/34/42/18/1135344218.db2.gz DJDCRFGVCRANDQ-UHFFFAOYSA-N -1 0 329.437 3.546 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)OCc1n[n-]c(C)cc1=O ZINC000805920169 1135350523 /nfs/dbraw/zinc/35/05/23/1135350523.db2.gz OWPCKJARDTUVGM-UHFFFAOYSA-N -1 0 332.356 3.510 20 0 EHADRM C[C@@H]1CC/C(=C\C(=O)[N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)C1 ZINC000752608233 1135356904 /nfs/dbraw/zinc/35/69/04/1135356904.db2.gz AQNBFSDBRUSKOU-KPMWUXBGSA-N -1 0 341.498 3.597 20 0 EHADRM C[Si](C)(C)CCS(=O)(=O)[N-]c1cc(Cl)cc2ncoc21 ZINC001195080073 1135365681 /nfs/dbraw/zinc/36/56/81/1135365681.db2.gz DQFOYFYCTAHIJW-UHFFFAOYSA-N -1 0 332.885 3.561 20 0 EHADRM Cc1cc2c(ncnc2[N-]S(=O)(=O)c2cccc(C(C)C)c2)s1 ZINC001195107833 1135369993 /nfs/dbraw/zinc/36/99/93/1135369993.db2.gz JUBKROMXMNMPQX-UHFFFAOYSA-N -1 0 347.465 3.924 20 0 EHADRM Cc1cnn(CC2CC2)c1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC001195120571 1135372257 /nfs/dbraw/zinc/37/22/57/1135372257.db2.gz JXGDEEPMDGDMBP-UHFFFAOYSA-N -1 0 333.457 3.526 20 0 EHADRM Cc1nc2c([N-]S(=O)(=O)c3cccc(C(C)C)c3)cccn2c1C ZINC001195120204 1135372455 /nfs/dbraw/zinc/37/24/55/1135372455.db2.gz FJIYYYAMZKDJDG-UHFFFAOYSA-N -1 0 343.452 3.875 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2snc3cccnc32)c1 ZINC001195120870 1135373293 /nfs/dbraw/zinc/37/32/93/1135373293.db2.gz QMAAQCRFLDRGDS-UHFFFAOYSA-N -1 0 333.438 3.616 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc3snnc32)c1 ZINC001195158992 1135384515 /nfs/dbraw/zinc/38/45/15/1135384515.db2.gz JJOQNQHAMBIAPG-UHFFFAOYSA-N -1 0 333.438 3.616 20 0 EHADRM COc1nc(Cl)ccc1[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC001195277393 1135404100 /nfs/dbraw/zinc/40/41/00/1135404100.db2.gz HBMSGNMPYSIVMU-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CC(=O)c1c(F)cccc1NC(=O)c1c([O-])c(F)c(F)c(F)c1F ZINC001195303195 1135409812 /nfs/dbraw/zinc/40/98/12/1135409812.db2.gz TWTMYQDXIFYDKJ-UHFFFAOYSA-N -1 0 345.223 3.543 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccccc1-n1cccn1 ZINC001195308095 1135411019 /nfs/dbraw/zinc/41/10/19/1135411019.db2.gz GUONWLNKNJMGKH-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM COc1cc(F)ccc1[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC001195310000 1135411655 /nfs/dbraw/zinc/41/16/55/1135411655.db2.gz RHRNVXSPUHODNZ-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC001195316808 1135413603 /nfs/dbraw/zinc/41/36/03/1135413603.db2.gz JSLRNPZOWBGSAB-UHFFFAOYSA-N -1 0 341.791 3.791 20 0 EHADRM CCn1nc(C)c(C(=O)Nc2cc(Cl)c([O-])cc2F)c1Cl ZINC000805257246 1135421305 /nfs/dbraw/zinc/42/13/05/1135421305.db2.gz VPHAFQDZWMADTB-UHFFFAOYSA-N -1 0 332.162 3.615 20 0 EHADRM CCN(Cc1ccccc1NC(=O)c1cccc(Cl)c1[O-])C(C)=O ZINC000775657901 1135429486 /nfs/dbraw/zinc/42/94/86/1135429486.db2.gz BWAWOABAJAPUPP-UHFFFAOYSA-N -1 0 346.814 3.666 20 0 EHADRM O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1cccc(Cl)c1[O-] ZINC000775671315 1135460948 /nfs/dbraw/zinc/46/09/48/1135460948.db2.gz BPDHKZHXBVGJDB-KDOFPFPSSA-N -1 0 345.826 3.943 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(O)cc2)snc1-c1ccccc1 ZINC001195767299 1135462799 /nfs/dbraw/zinc/46/27/99/1135462799.db2.gz KSIBWDYPTWWFSZ-UHFFFAOYSA-N -1 0 346.433 3.625 20 0 EHADRM O=C([N-]O[C@@H]1CCCCO1)C1(Cc2cccc(F)c2)CCCCC1 ZINC000806722683 1135484156 /nfs/dbraw/zinc/48/41/56/1135484156.db2.gz NFZHVDJRHSSOOD-QGZVFWFLSA-N -1 0 335.419 3.893 20 0 EHADRM CC(C)CCN(C(=O)CSc1n[n-]c(=S)s1)C1CCCC1 ZINC000747370721 1135517143 /nfs/dbraw/zinc/51/71/43/1135517143.db2.gz HSEHXSZLWIZDOF-UHFFFAOYSA-N -1 0 345.559 3.736 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc3cncc(C)c32)c(F)c1 ZINC001196383318 1135553041 /nfs/dbraw/zinc/55/30/41/1135553041.db2.gz JXENTSUZBJZSMN-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM O=C(NCc1cccc(-c2c[nH]cn2)c1)c1cc(Cl)c(F)cc1[O-] ZINC001196478396 1135566504 /nfs/dbraw/zinc/56/65/04/1135566504.db2.gz UTOKOGXKGRASHP-UHFFFAOYSA-N -1 0 345.761 3.505 20 0 EHADRM COc1nc(C(F)(F)F)c(C(=O)Nc2ccccc2[S-])s1 ZINC001196840356 1135616986 /nfs/dbraw/zinc/61/69/86/1135616986.db2.gz NWPSGWGLRXYJCB-UHFFFAOYSA-N -1 0 334.344 3.712 20 0 EHADRM O=c1[n-]cnc(N=C2CCC(C(F)(F)F)CC2)c1Br ZINC001196889246 1135622538 /nfs/dbraw/zinc/62/25/38/1135622538.db2.gz LFGJCBHAIHXTFD-LURJTMIESA-N -1 0 338.127 3.603 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2ccc(C3CCC3)nc2)cc1 ZINC001197084713 1135644057 /nfs/dbraw/zinc/64/40/57/1135644057.db2.gz UTQQCLAEKRFCGE-UHFFFAOYSA-N -1 0 327.409 3.856 20 0 EHADRM Cc1ccccc1[C@@H]1CN(C(=O)c2cccc(Cl)c2[O-])CCO1 ZINC000775757260 1135645717 /nfs/dbraw/zinc/64/57/17/1135645717.db2.gz ZIVWJZGYWHFLOZ-INIZCTEOSA-N -1 0 331.799 3.568 20 0 EHADRM Cc1cc2c(ncnc2NC(=S)Nc2ccc(C(=O)[O-])cc2)s1 ZINC001197069356 1135647017 /nfs/dbraw/zinc/64/70/17/1135647017.db2.gz HSQAWPNMBIDCGT-UHFFFAOYSA-N -1 0 344.421 3.507 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2csc3cnccc23)cc1 ZINC001197076182 1135647514 /nfs/dbraw/zinc/64/75/14/1135647514.db2.gz ATIHVBORJORBFX-UHFFFAOYSA-N -1 0 329.406 3.803 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2nc(C(F)(F)F)cs2)cc1 ZINC001197075162 1135647589 /nfs/dbraw/zinc/64/75/89/1135647589.db2.gz IUWQAVHWLAABJI-UHFFFAOYSA-N -1 0 347.343 3.669 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NCCSCc2ccccc2)cc1 ZINC001197129717 1135648167 /nfs/dbraw/zinc/64/81/67/1135648167.db2.gz GJFHETQLMFQVPW-UHFFFAOYSA-N -1 0 346.477 3.605 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NC2(C(F)(F)F)CCCC2)cc1 ZINC001197139616 1135649415 /nfs/dbraw/zinc/64/94/15/1135649415.db2.gz SULCUYLPYUUUIE-UHFFFAOYSA-N -1 0 332.347 3.546 20 0 EHADRM COc1cc(Cl)cc(NC(=S)Nc2ccc(C(=O)[O-])cc2)c1 ZINC001197113086 1135650654 /nfs/dbraw/zinc/65/06/54/1135650654.db2.gz ZZHWFWHAEIWXIP-UHFFFAOYSA-N -1 0 336.800 3.856 20 0 EHADRM CC(=O)c1ccc(F)c(NC(=S)Nc2ccc(C(=O)[O-])cc2)c1 ZINC001197111738 1135650865 /nfs/dbraw/zinc/65/08/65/1135650865.db2.gz APGHWXPRUSZYSP-UHFFFAOYSA-N -1 0 332.356 3.535 20 0 EHADRM CCC(=O)c1ccc(NC(=S)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001197115101 1135651495 /nfs/dbraw/zinc/65/14/95/1135651495.db2.gz JOFVDGJNMNFFTE-UHFFFAOYSA-N -1 0 328.393 3.786 20 0 EHADRM CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1cccc(Cl)c1[O-] ZINC000775769735 1135683631 /nfs/dbraw/zinc/68/36/31/1135683631.db2.gz VBMRLCUXNUDWMB-INIZCTEOSA-N -1 0 333.815 3.550 20 0 EHADRM COc1c(F)cccc1[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC001197636691 1135721602 /nfs/dbraw/zinc/72/16/02/1135721602.db2.gz NOHVNTYSOAGEGX-UHFFFAOYSA-N -1 0 347.770 3.569 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2ccc(N3CCCCCC3)cc2)c1 ZINC001198000347 1135760338 /nfs/dbraw/zinc/76/03/38/1135760338.db2.gz VRYWBBONVMBDJO-UHFFFAOYSA-N -1 0 345.468 3.571 20 0 EHADRM O=S(=O)([N-]c1cncc(-c2ccccc2)c1)c1cccc(Cl)n1 ZINC001198198903 1135783027 /nfs/dbraw/zinc/78/30/27/1135783027.db2.gz DDNORGJMUSQTIL-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM O=S(=O)([N-]c1cc(F)ccn1)c1ccccc1Oc1ccccc1 ZINC001198443726 1135820570 /nfs/dbraw/zinc/82/05/70/1135820570.db2.gz SGPUQKAAWCZJPX-UHFFFAOYSA-N -1 0 344.367 3.814 20 0 EHADRM O=S(=O)([N-]c1cccc(F)n1)c1ccccc1Oc1ccccc1 ZINC001198443943 1135820776 /nfs/dbraw/zinc/82/07/76/1135820776.db2.gz UMZZBIUHOUMAQH-UHFFFAOYSA-N -1 0 344.367 3.814 20 0 EHADRM CCC(CC)[C@H](CCNC(=O)c1ccc2[n-]c(=S)oc2c1)OC ZINC000747555536 1135830467 /nfs/dbraw/zinc/83/04/67/1135830467.db2.gz RRESDJSLAOQVTP-AWEZNQCLSA-N -1 0 336.457 3.688 20 0 EHADRM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(Cl)c(C)c1 ZINC001198692885 1135844646 /nfs/dbraw/zinc/84/46/46/1135844646.db2.gz IHNGMBOUZTXFKW-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)c1nc(CC2(C)CCCC2)no1 ZINC000809534475 1135848301 /nfs/dbraw/zinc/84/83/01/1135848301.db2.gz KFJUMFZJEMSLTL-NSHDSACASA-N -1 0 333.354 3.568 20 0 EHADRM Cc1cc2ccccc2cc1NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198790178 1135853823 /nfs/dbraw/zinc/85/38/23/1135853823.db2.gz OZMCSGXINOGXJX-UHFFFAOYSA-N -1 0 341.388 3.647 20 0 EHADRM O=S(=O)([N-]c1cnccc1C1CCC1)c1ccc2occc2c1 ZINC001198829774 1135856949 /nfs/dbraw/zinc/85/69/49/1135856949.db2.gz WICBUWFIANJLRC-UHFFFAOYSA-N -1 0 328.393 3.896 20 0 EHADRM CCC[C@@H](NS(=O)(=O)c1ccccc1C(=O)[O-])c1ccc(C)cc1 ZINC001198820724 1135859647 /nfs/dbraw/zinc/85/96/47/1135859647.db2.gz OGJNUIBNZMUQRD-MRXNPFEDSA-N -1 0 347.436 3.513 20 0 EHADRM COc1cc(NS(=O)(=O)c2ccc3occc3c2)ccc1[S-] ZINC001198867782 1135864280 /nfs/dbraw/zinc/86/42/80/1135864280.db2.gz AMWSVKUDYXEEFK-UHFFFAOYSA-N -1 0 335.406 3.531 20 0 EHADRM CC[C@@H](C)[C@H](C)C(=O)Nc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC001131875674 1135890001 /nfs/dbraw/zinc/89/00/01/1135890001.db2.gz BCJSJXVAQBJOOX-ZJUUUORDSA-N -1 0 348.340 3.625 20 0 EHADRM CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1cccc(Cl)c1[O-] ZINC000776011391 1135919790 /nfs/dbraw/zinc/91/97/90/1135919790.db2.gz VBHIBUBUIVOMSJ-HWPZZCPQSA-N -1 0 337.778 3.691 20 0 EHADRM CCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000776070137 1135947967 /nfs/dbraw/zinc/94/79/67/1135947967.db2.gz QKQRXRVWGJMBNO-LBPRGKRZSA-N -1 0 331.865 3.751 20 0 EHADRM CCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1 ZINC000776089862 1135951866 /nfs/dbraw/zinc/95/18/66/1135951866.db2.gz FZCWKOVGUYNLLU-HUUCEWRRSA-N -1 0 325.474 3.800 20 0 EHADRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1c(C)cc(F)cc1C ZINC001201764041 1136061347 /nfs/dbraw/zinc/06/13/47/1136061347.db2.gz NPQPVWBWWAFWCQ-UHFFFAOYSA-N -1 0 334.825 3.662 20 0 EHADRM Cc1cc(C)c(NC(=O)Nc2c(C)cccc2C)c(S(=O)(=O)[O-])c1 ZINC001202209440 1136110989 /nfs/dbraw/zinc/11/09/89/1136110989.db2.gz LBUCLEDRZHMREY-UHFFFAOYSA-N -1 0 348.424 3.811 20 0 EHADRM COc1cc(F)c(F)cc1[N-]S(=O)(=O)/C=C/c1ccccc1F ZINC000811712525 1136123892 /nfs/dbraw/zinc/12/38/92/1136123892.db2.gz BAEKAMNRVDEGNN-VOTSOKGWSA-N -1 0 343.326 3.525 20 0 EHADRM Cc1ccc2c(c1)N(C(=O)c1cc(C(=O)[O-])ccc1Cl)CCC2 ZINC000811817177 1136145182 /nfs/dbraw/zinc/14/51/82/1136145182.db2.gz PNRPSGLNRZCECL-UHFFFAOYSA-N -1 0 329.783 3.940 20 0 EHADRM O=C(NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1cccc(C(F)(F)F)c1[O-] ZINC001545683958 1136163753 /nfs/dbraw/zinc/16/37/53/1136163753.db2.gz FXPSZHASDHCAGX-IIAWOOMASA-N -1 0 347.336 3.727 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)nc2)s1 ZINC000747765241 1136168510 /nfs/dbraw/zinc/16/85/10/1136168510.db2.gz XULMMVRYOWLYAK-UHFFFAOYSA-N -1 0 330.862 3.895 20 0 EHADRM COc1ccccc1CN(OC)C(=O)c1ccc2ccccc2c1O ZINC000812367707 1136199429 /nfs/dbraw/zinc/19/94/29/1136199429.db2.gz LZPWHSWEFRCJNS-UHFFFAOYSA-N -1 0 337.375 3.758 20 0 EHADRM COc1ccccc1CN(OC)C(=O)c1cc(O)c2ccccc2c1 ZINC000812366779 1136199659 /nfs/dbraw/zinc/19/96/59/1136199659.db2.gz NJCRIYUGJNTZGC-UHFFFAOYSA-N -1 0 337.375 3.758 20 0 EHADRM O=C(CSc1cccc(C(F)(F)F)c1)[N-]OC/C=C/Cl ZINC000812403057 1136202437 /nfs/dbraw/zinc/20/24/37/1136202437.db2.gz JECVRITXJXJCEH-GORDUTHDSA-N -1 0 325.739 3.598 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C=Cc2ccc(OC)cc2)c1 ZINC000812704329 1136235359 /nfs/dbraw/zinc/23/53/59/1136235359.db2.gz MVXSNVYYMARUMH-WDZFZDKYSA-N -1 0 325.364 3.645 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)C2CC3(C2)CCCCC3)sc1C ZINC000850924275 1136318700 /nfs/dbraw/zinc/31/87/00/1136318700.db2.gz GLCSGMNZCNREBP-UHFFFAOYSA-N -1 0 341.498 3.530 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])[C@@H](O)c1ccc(Cl)cc1F ZINC000813500510 1136342714 /nfs/dbraw/zinc/34/27/14/1136342714.db2.gz HEUFWNKFOHXHDQ-LBPRGKRZSA-N -1 0 330.142 3.510 20 0 EHADRM O=C(CC1CCC1)O[C@H]1C[C@@H]([N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000851175005 1136346452 /nfs/dbraw/zinc/34/64/52/1136346452.db2.gz COJIIEQJIVPAOH-KGLIPLIRSA-N -1 0 341.329 3.584 20 0 EHADRM CCC1(C(=O)O[C@H]2C[C@H]([N-]C(=O)C(F)(F)F)c3ccccc32)CC1 ZINC000851176115 1136346550 /nfs/dbraw/zinc/34/65/50/1136346550.db2.gz NJCZNLBOERNYFH-STQMWFEESA-N -1 0 341.329 3.584 20 0 EHADRM CCOC(=O)c1[n-]c(NC(=O)CC=Cc2ccc(C)cc2)nc1Cl ZINC001133885445 1136354817 /nfs/dbraw/zinc/35/48/17/1136354817.db2.gz LQJIABNRMCZNET-SNAWJCMRSA-N -1 0 347.802 3.590 20 0 EHADRM CC1(CC(=O)[N-]S(=O)(=O)c2cc3ccccc3o2)CCCCC1 ZINC000851246639 1136357353 /nfs/dbraw/zinc/35/73/53/1136357353.db2.gz GIHNXCZMDFYGQF-UHFFFAOYSA-N -1 0 335.425 3.598 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(Cl)cc1 ZINC000814017897 1136386538 /nfs/dbraw/zinc/38/65/38/1136386538.db2.gz FNOXYOPXOYUBDF-OAHLLOKOSA-N -1 0 337.828 3.551 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1csc(Cl)c1 ZINC000814016116 1136386674 /nfs/dbraw/zinc/38/66/74/1136386674.db2.gz LWJURKCRFQTFEI-GFCCVEGCSA-N -1 0 343.857 3.612 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1csc(C)c1C ZINC000814019081 1136387215 /nfs/dbraw/zinc/38/72/15/1136387215.db2.gz UTQATPFATVBNBM-OAHLLOKOSA-N -1 0 337.466 3.576 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H](C)c1ccccc1F ZINC000814023475 1136387360 /nfs/dbraw/zinc/38/73/60/1136387360.db2.gz XWSIQIZZHJLDBX-CXAGYDPISA-N -1 0 349.427 3.527 20 0 EHADRM CN(C(=O)C1CC1)c1ccc(NC(=O)c2cccc(Cl)c2[O-])cc1 ZINC001134036250 1136387421 /nfs/dbraw/zinc/38/74/21/1136387421.db2.gz FTTUEJGUOHHPHI-UHFFFAOYSA-N -1 0 344.798 3.671 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N2CCC[C@@H]2CC2CCCCC2)o1 ZINC000851595865 1136395572 /nfs/dbraw/zinc/39/55/72/1136395572.db2.gz QYIUSIMQPNOGDR-ZHUYAKLQSA-N -1 0 331.412 3.952 20 0 EHADRM C[C@H]1CN(C(=O)c2cc3cc(Cl)ccc3s2)CC[C@@H]1C(=O)[O-] ZINC000851604551 1136395632 /nfs/dbraw/zinc/39/56/32/1136395632.db2.gz ARYXWJMUUABCCP-CABZTGNLSA-N -1 0 337.828 3.738 20 0 EHADRM CCOc1ccccc1[C@@H](CC)NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851604688 1136395872 /nfs/dbraw/zinc/39/58/72/1136395872.db2.gz DDRBYUZDHXYUPI-KUGGDMIFSA-N -1 0 343.379 3.657 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(C(=O)/C=C/C2CCCCCC2)C1 ZINC000851614778 1136396079 /nfs/dbraw/zinc/39/60/79/1136396079.db2.gz UAPOPDYHBPYTHW-NCRJZKAISA-N -1 0 347.377 3.625 20 0 EHADRM CC(C)(C)c1ccc(CCCC(=O)NCc2ccoc2C(=O)[O-])cc1 ZINC000851617602 1136396180 /nfs/dbraw/zinc/39/61/80/1136396180.db2.gz BFRPZFBXZXJXLQ-UHFFFAOYSA-N -1 0 343.423 3.914 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)c1sccc1-c1ccc(F)cc1 ZINC000851625753 1136396931 /nfs/dbraw/zinc/39/69/31/1136396931.db2.gz UTMXVRLJCDPKBY-RDTXWAMCSA-N -1 0 347.411 3.927 20 0 EHADRM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC000851705012 1136400264 /nfs/dbraw/zinc/40/02/64/1136400264.db2.gz HSAAELYQTCVHGL-HOCLYGCPSA-N -1 0 346.471 3.682 20 0 EHADRM CCOC(=O)c1[n-]c(NC(=O)C[C@@H](CC)c2ccccc2)nc1Cl ZINC001134101835 1136406761 /nfs/dbraw/zinc/40/67/61/1136406761.db2.gz WAXMRAHJKAKJGE-LLVKDONJSA-N -1 0 349.818 3.762 20 0 EHADRM Cc1nc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)sc1-c1ccccc1 ZINC000852952486 1136494219 /nfs/dbraw/zinc/49/42/19/1136494219.db2.gz YPFBADRLTRXQIZ-GFCCVEGCSA-N -1 0 332.425 3.804 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)Nc1ccccc1SC(F)F)C1CCC1 ZINC000853091229 1136507599 /nfs/dbraw/zinc/50/75/99/1136507599.db2.gz BDFPINFZLFBBDL-JTQLQIEISA-N -1 0 344.383 3.624 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc2ccccc2o1)c1ccc(F)cc1F ZINC000776654742 1136528344 /nfs/dbraw/zinc/52/83/44/1136528344.db2.gz QSFHOLRCGOIQQO-AWEZNQCLSA-N -1 0 345.301 3.657 20 0 EHADRM CCCN(C)C(=O)N(CC(=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000776682897 1136545378 /nfs/dbraw/zinc/54/53/78/1136545378.db2.gz HUVKFEGGRPHQAI-UHFFFAOYSA-N -1 0 340.423 3.624 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CC[C@H]2CC2(Cl)Cl)c1 ZINC000854576526 1136629021 /nfs/dbraw/zinc/62/90/21/1136629021.db2.gz NUECXLYOXMEMFX-JTQLQIEISA-N -1 0 330.211 3.897 20 0 EHADRM C[C@@]1(CC(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)CC1(Cl)Cl ZINC000854644133 1136633747 /nfs/dbraw/zinc/63/37/47/1136633747.db2.gz GAVKHDREJMTIJI-CQSZACIVSA-N -1 0 340.210 3.695 20 0 EHADRM CCCCCCO[C@@H](C)C(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000854644400 1136633900 /nfs/dbraw/zinc/63/39/00/1136633900.db2.gz NXFPFKPKUTUWOG-ZDUSSCGKSA-N -1 0 331.416 3.706 20 0 EHADRM CC(C)(C(=O)[N-]OCC(F)F)c1csc(-c2ccccc2F)n1 ZINC000816104701 1136673883 /nfs/dbraw/zinc/67/38/83/1136673883.db2.gz BHSWPCCIRMEPRB-UHFFFAOYSA-N -1 0 344.358 3.540 20 0 EHADRM CCC(C)(C)CC(=O)[N-]S(=O)(=O)[C@@H](c1ccccc1)C(C)C ZINC000816107096 1136677172 /nfs/dbraw/zinc/67/71/72/1136677172.db2.gz CGTAWFCWYCKRDO-MRXNPFEDSA-N -1 0 325.474 3.656 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CC1CCCCC1 ZINC000816109199 1136677490 /nfs/dbraw/zinc/67/74/90/1136677490.db2.gz XHPWKFDACZZFDK-GOSISDBHSA-N -1 0 337.485 3.800 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000816109219 1136677683 /nfs/dbraw/zinc/67/76/83/1136677683.db2.gz XNAJRQQSSFAXAK-DJIMGWMZSA-N -1 0 337.485 3.656 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)/C=C/c1cccs1 ZINC000816113560 1136677912 /nfs/dbraw/zinc/67/79/12/1136677912.db2.gz WDYVRJXHGSCZKT-DVQDXYAYSA-N -1 0 349.477 3.605 20 0 EHADRM C/C(=C/C(C)(C)C)C(=O)[N-]S(=O)(=O)[C@@H](c1ccccc1)C(C)C ZINC000816113179 1136678052 /nfs/dbraw/zinc/67/80/52/1136678052.db2.gz MBVLLUBQOHZHDR-OBEJXRGXSA-N -1 0 337.485 3.822 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000113696752 1136734511 /nfs/dbraw/zinc/73/45/11/1136734511.db2.gz RXJRPHFENAGGPF-ROUUACIJSA-N -1 0 345.464 3.578 20 0 EHADRM C[C@](O)(C(=O)Nc1cc(Cl)c([O-])cc1F)c1ccc(Cl)cc1 ZINC000816661707 1136746348 /nfs/dbraw/zinc/74/63/48/1136746348.db2.gz VNTDIELNRXQQPJ-OAHLLOKOSA-N -1 0 344.169 3.684 20 0 EHADRM O=C(Nc1nc2c(s1)CCC2)c1cc(Cl)cc(Cl)c1[O-] ZINC001135685105 1136751890 /nfs/dbraw/zinc/75/18/90/1136751890.db2.gz CUXLDYINCIYDHO-UHFFFAOYSA-N -1 0 329.208 3.897 20 0 EHADRM C[C@@H]1CN(c2cccc(F)c2)CCN1C(=O)c1cccc(Cl)c1[O-] ZINC000817029965 1136771720 /nfs/dbraw/zinc/77/17/20/1136771720.db2.gz TXQXPELYWIVQLF-GFCCVEGCSA-N -1 0 348.805 3.536 20 0 EHADRM O=C(Cc1csc(-c2ccccc2Cl)n1)[N-]OCC1CCC1 ZINC000856344703 1136778723 /nfs/dbraw/zinc/77/87/23/1136778723.db2.gz PBLQZMWTXFNIPR-UHFFFAOYSA-N -1 0 336.844 3.854 20 0 EHADRM C/C(=C\C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21)c1cccs1 ZINC000856927631 1136824923 /nfs/dbraw/zinc/82/49/23/1136824923.db2.gz RXOXQWTYVGGWND-YDTMBMLHSA-N -1 0 333.453 3.643 20 0 EHADRM O=C(NC(C1CCCC1)C1CCCC1)c1s[n-]c(=O)c1Cl ZINC000857452714 1136872672 /nfs/dbraw/zinc/87/26/72/1136872672.db2.gz LQMQBSYWFZYQSN-UHFFFAOYSA-N -1 0 328.865 3.981 20 0 EHADRM Cc1n[nH]c(C(=O)N[C@@H](c2ccc(CC(C)C)cc2)C(C)C)c1[O-] ZINC001136136823 1136875212 /nfs/dbraw/zinc/87/52/12/1136875212.db2.gz VQTYXVRAZSZBJH-MRXNPFEDSA-N -1 0 329.444 3.749 20 0 EHADRM CCOc1ccc(N(CC)C(=O)c2cc(C)cc(C=O)c2[O-])cc1 ZINC001136169930 1136893247 /nfs/dbraw/zinc/89/32/47/1136893247.db2.gz HHACHRCSJZEOPC-UHFFFAOYSA-N -1 0 327.380 3.579 20 0 EHADRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)OCC1CCCCC1 ZINC000858889732 1136996051 /nfs/dbraw/zinc/99/60/51/1136996051.db2.gz LEUAKXLLLWSYGJ-UHFFFAOYSA-N -1 0 335.429 3.546 20 0 EHADRM CO[C@]12CCC[C@@]1(C(=O)Nc1cc(Cl)c([O-])c(Cl)c1)CCO2 ZINC000821449340 1137027841 /nfs/dbraw/zinc/02/78/41/1137027841.db2.gz QBQOVSMRBAGZDN-GJZGRUSLSA-N -1 0 346.210 3.571 20 0 EHADRM CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000821540470 1137031389 /nfs/dbraw/zinc/03/13/89/1137031389.db2.gz GXYNODDJIQESMH-GXTWGEPZSA-N -1 0 327.380 3.868 20 0 EHADRM CC[C@H](CSC)N(C)C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000821706925 1137035212 /nfs/dbraw/zinc/03/52/12/1137035212.db2.gz WYCQWGXZZBWCON-CYBMUJFWSA-N -1 0 347.436 3.678 20 0 EHADRM Cc1cc(NC(=O)c2cc(F)cc(F)c2[O-])n(-c2ccc(F)cc2)n1 ZINC001136575537 1137055827 /nfs/dbraw/zinc/05/58/27/1137055827.db2.gz ZIMXAAMQGQMBRE-UHFFFAOYSA-N -1 0 347.296 3.556 20 0 EHADRM CCO[C@H](C(=O)Nc1cc(Cl)cc(Br)c1[O-])C1CC1 ZINC000860446587 1137060700 /nfs/dbraw/zinc/06/07/00/1137060700.db2.gz LEOGNTHZRUKNHC-LBPRGKRZSA-N -1 0 348.624 3.562 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000013402709 1137080846 /nfs/dbraw/zinc/08/08/46/1137080846.db2.gz OPHFIAPOXJCMOK-XCVCLJGOSA-N -1 0 346.180 3.799 20 0 EHADRM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000823025935 1137084878 /nfs/dbraw/zinc/08/48/78/1137084878.db2.gz VUNAXLPSVOTZTM-IAGOWNOFSA-N -1 0 349.390 3.552 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1cccc(C2SCCS2)c1 ZINC000013468476 1137086942 /nfs/dbraw/zinc/08/69/42/1137086942.db2.gz QAZSBXPUDCLHIQ-UONOGXRCSA-N -1 0 349.477 3.771 20 0 EHADRM O=C(c1cc(Br)cc(F)c1[O-])N1CCC[C@H]2CCC[C@@H]21 ZINC001136780190 1137115418 /nfs/dbraw/zinc/11/54/18/1137115418.db2.gz UEAIVHFXRWIPHZ-RNCFNFMXSA-N -1 0 342.208 3.699 20 0 EHADRM CCOCc1cccc(NC(=O)c2ccc3[n-]c(=S)oc3c2)c1 ZINC000118784492 1137131659 /nfs/dbraw/zinc/13/16/59/1137131659.db2.gz QZVLKOMKIIYKDB-UHFFFAOYSA-N -1 0 328.393 3.905 20 0 EHADRM O=C(Nc1cccc(CSC2CCCC2)c1)c1c[n-]ncc1=O ZINC001136853198 1137131852 /nfs/dbraw/zinc/13/18/52/1137131852.db2.gz BTXGVRLOQWOUOH-UHFFFAOYSA-N -1 0 329.425 3.610 20 0 EHADRM CCC(=O)c1ccccc1[N-]S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000863429047 1137186214 /nfs/dbraw/zinc/18/62/14/1137186214.db2.gz JYZVOFWCFGQRPW-MAUKXSAKSA-N -1 0 329.421 3.577 20 0 EHADRM Cc1cc(C=O)c([O-])c(C(=O)N(Cc2ccco2)c2ccccc2)c1 ZINC001143807139 1137201102 /nfs/dbraw/zinc/20/11/02/1137201102.db2.gz LZONRSZWWVQLHD-UHFFFAOYSA-N -1 0 335.359 3.953 20 0 EHADRM CC[C@H](CNC(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)C(=O)[O-] ZINC000844159415 1137202723 /nfs/dbraw/zinc/20/27/23/1137202723.db2.gz HDDGWVBNYAXSOP-SZJBZFAYSA-N -1 0 349.736 3.513 20 0 EHADRM O=C([O-])c1nnc2ccccc2c1N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000844213814 1137204673 /nfs/dbraw/zinc/20/46/73/1137204673.db2.gz MZNYISQTOLZIPI-YOEHRIQHSA-N -1 0 349.390 3.660 20 0 EHADRM CSCCCCCCC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000864098808 1137214882 /nfs/dbraw/zinc/21/48/82/1137214882.db2.gz UQMJPYQDSFQGTO-ZNMIVQPWSA-N -1 0 327.490 3.544 20 0 EHADRM Cc1ccccc1[C@@H]1CCCN1C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000864103619 1137215020 /nfs/dbraw/zinc/21/50/20/1137215020.db2.gz OCNDUSGOGHONMH-IJDCCNJMSA-N -1 0 325.364 3.663 20 0 EHADRM COc1ccc([C@@H](NC(=O)c2ccc(C)c(C(=O)[O-])c2)C2CC2)cc1 ZINC000864103548 1137215095 /nfs/dbraw/zinc/21/50/95/1137215095.db2.gz LPBHSIJMKAXUJS-SFHVURJKSA-N -1 0 339.391 3.583 20 0 EHADRM CCOc1ccc([C@H](C)NC(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000864105105 1137215175 /nfs/dbraw/zinc/21/51/75/1137215175.db2.gz KLNVNGNTBIOAHZ-ZDUSSCGKSA-N -1 0 327.380 3.583 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc2c(c1)OC(C)(C)C2 ZINC000864120180 1137216016 /nfs/dbraw/zinc/21/60/16/1137216016.db2.gz UXHDZPCMMYZVRR-UHFFFAOYSA-N -1 0 325.364 3.659 20 0 EHADRM Cc1cc2c(CC(=O)NCC3(C(=O)[O-])CCCC3)csc2s1 ZINC000864121621 1137216025 /nfs/dbraw/zinc/21/60/25/1137216025.db2.gz GSIAIJKOCBGFHZ-UHFFFAOYSA-N -1 0 337.466 3.575 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000864125334 1137216284 /nfs/dbraw/zinc/21/62/84/1137216284.db2.gz UFFAMDLYCOCDOT-VURMDHGXSA-N -1 0 343.379 3.936 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)/C=C/c1ccc2[nH]ccc2c1 ZINC000864131948 1137216709 /nfs/dbraw/zinc/21/67/09/1137216709.db2.gz GOUKDBUPIJNKQH-CSKARUKUSA-N -1 0 328.412 3.723 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)/C=C\c2cc(C(=O)[O-])co2)C1 ZINC000864138197 1137216929 /nfs/dbraw/zinc/21/69/29/1137216929.db2.gz YMQTUJSGYIQVPH-YHGVQQSXSA-N -1 0 343.354 3.740 20 0 EHADRM O=C([O-])c1coc(/C=C\C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000864143096 1137217184 /nfs/dbraw/zinc/21/71/84/1137217184.db2.gz BJMAEUVIARZWSW-RDIZVCBXSA-N -1 0 343.354 3.583 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)/C=C\c1ccsc1C(F)(F)F ZINC000864153321 1137217311 /nfs/dbraw/zinc/21/73/11/1137217311.db2.gz BLZFXTKTFJTHCH-BGQVOSMTSA-N -1 0 347.358 3.540 20 0 EHADRM O=C([O-])C1=CC[C@H](NC(=O)C2(c3ccccc3)CCCCCC2)C1 ZINC000864167330 1137217607 /nfs/dbraw/zinc/21/76/07/1137217607.db2.gz FNLGQLLNUVEXPN-KRWDZBQOSA-N -1 0 327.424 3.568 20 0 EHADRM C[C@@H]1CN(C(=O)/C=C/c2ccc(F)c3ccccc23)C[C@@]1(C)C(=O)[O-] ZINC000864179169 1137218070 /nfs/dbraw/zinc/21/80/70/1137218070.db2.gz KHLDHYFKJATKGP-HWYKPVHOSA-N -1 0 341.382 3.561 20 0 EHADRM CCc1ccc(N(CC2CC2)C(=O)c2cc(C(=O)[O-])cnc2C)cc1 ZINC000864190193 1137218265 /nfs/dbraw/zinc/21/82/65/1137218265.db2.gz ZCIOUBMDCJNPBT-UHFFFAOYSA-N -1 0 338.407 3.707 20 0 EHADRM C[C@H](C(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)[O-])c1ccccc1 ZINC000864196245 1137218662 /nfs/dbraw/zinc/21/86/62/1137218662.db2.gz OCIIZBSTAHDFPO-ORAYPTAESA-N -1 0 345.826 3.646 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21)C1CC1 ZINC000864200428 1137218783 /nfs/dbraw/zinc/21/87/83/1137218783.db2.gz XZLIHPNDGXAXNH-WAOWUJCRSA-N -1 0 337.419 3.703 20 0 EHADRM O=C([O-])C1CCC(CC(=O)Nc2ccc(F)c(C(F)F)c2)CC1 ZINC000864202470 1137218921 /nfs/dbraw/zinc/21/89/21/1137218921.db2.gz RJFSXYFJMSCUNA-UHFFFAOYSA-N -1 0 329.318 3.983 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)CCc1ccc2ccccc2c1)C1CC1 ZINC000864198695 1137218954 /nfs/dbraw/zinc/21/89/54/1137218954.db2.gz KFXBZXQMJXPAHO-FQEVSTJZSA-N -1 0 325.408 3.532 20 0 EHADRM Cc1nc(C2CCN(C(=O)C=C3CCCCC3)CC2)sc1C(=O)[O-] ZINC000864223661 1137219116 /nfs/dbraw/zinc/21/91/16/1137219116.db2.gz CDQFKCDJVOPGBL-UHFFFAOYSA-N -1 0 348.468 3.746 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)C2CCc3ccccc3CC2)c2ccccc21 ZINC000864228904 1137219305 /nfs/dbraw/zinc/21/93/05/1137219305.db2.gz SBVXSCNZSITITN-SFHVURJKSA-N -1 0 349.430 3.787 20 0 EHADRM CCC[C@@H](C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21)c1ccccn1 ZINC000864227123 1137219321 /nfs/dbraw/zinc/21/93/21/1137219321.db2.gz CGKLJVUEQWYSSY-GOEBONIOSA-N -1 0 338.407 3.570 20 0 EHADRM Cc1cccc(CCC(=O)N[C@@H](CC(=O)[O-])c2cccc(C)c2)c1 ZINC000864227903 1137219398 /nfs/dbraw/zinc/21/93/98/1137219398.db2.gz IEXRYAXZHNQFSB-SFHVURJKSA-N -1 0 325.408 3.568 20 0 EHADRM CSc1cc(C)c(C(=O)N[C@@H](CC(=O)[O-])c2cccc(C)c2)o1 ZINC000864232471 1137219514 /nfs/dbraw/zinc/21/95/14/1137219514.db2.gz PGRLIGYEROVLLH-ZDUSSCGKSA-N -1 0 333.409 3.564 20 0 EHADRM CCCO[C@H](C(=O)[N-]OCc1cccc(C)n1)c1ccc(F)cc1C ZINC000825565847 1137251365 /nfs/dbraw/zinc/25/13/65/1137251365.db2.gz LNBCWCVYDUTZSU-SFHVURJKSA-N -1 0 346.402 3.553 20 0 EHADRM C[C@@H](c1ccccc1)[NH+]1CCN(Cc2cc(F)c([O-])cc2F)CC1 ZINC001144657894 1137323532 /nfs/dbraw/zinc/32/35/32/1137323532.db2.gz MGFVLRLKFKEBBH-AWEZNQCLSA-N -1 0 332.394 3.549 20 0 EHADRM O=C([O-])[C@]12CCC[C@@H]1C[N@H+](Cc1csc(-c3ccsc3)n1)C2 ZINC000846285436 1137345088 /nfs/dbraw/zinc/34/50/88/1137345088.db2.gz SYDXHGNJZNHVLT-WBMJQRKESA-N -1 0 334.466 3.558 20 0 EHADRM Cc1c(NC(=O)c2cc(Cl)ccc2[O-])cnn1-c1ccc(F)cc1 ZINC001144788491 1137348703 /nfs/dbraw/zinc/34/87/03/1137348703.db2.gz UYUNECUOJUYMLZ-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM O=C([O-])[C@@]1(C(=O)N2CCC[C@H](c3ccccc3)CC2)CC=CCC1 ZINC000846708488 1137363137 /nfs/dbraw/zinc/36/31/37/1137363137.db2.gz RISTXCRDOAEXBL-PXNSSMCTSA-N -1 0 327.424 3.594 20 0 EHADRM CN(Cc1ccns1)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC001146811340 1137394767 /nfs/dbraw/zinc/39/47/67/1137394767.db2.gz XKFZNSYJKKQLTP-UHFFFAOYSA-N -1 0 332.812 3.928 20 0 EHADRM CC(=O)Nc1ccccc1NC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC001147853930 1137413644 /nfs/dbraw/zinc/41/36/44/1137413644.db2.gz SJURODXFYMSRJL-UHFFFAOYSA-N -1 0 338.285 3.622 20 0 EHADRM CC(NC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])(C1CC1)C1CC1 ZINC001148368365 1137423368 /nfs/dbraw/zinc/42/33/68/1137423368.db2.gz OUWIUCGEYIYPMW-UHFFFAOYSA-N -1 0 339.391 3.773 20 0 EHADRM CCc1oc(C(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)cc1C(=O)[O-] ZINC000339087142 1137435171 /nfs/dbraw/zinc/43/51/71/1137435171.db2.gz AOIDNOAQAKHCQT-CQSZACIVSA-N -1 0 345.370 3.527 20 0 EHADRM COc1cc(NC(=O)c2cc(Cl)cc(Cl)c2[O-])cc(OC)c1 ZINC001148806197 1137435242 /nfs/dbraw/zinc/43/52/42/1137435242.db2.gz PCTFQZVZYCZFDL-UHFFFAOYSA-N -1 0 342.178 3.969 20 0 EHADRM Cc1cc2c(cn1)[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[O-])CC2 ZINC001148814180 1137435730 /nfs/dbraw/zinc/43/57/30/1137435730.db2.gz PYUZDBXQKDMPNC-CQSZACIVSA-N -1 0 337.206 3.820 20 0 EHADRM CC1(C)CC(NC(=O)N=c2[n-]nc(C(F)F)s2)CC(C)(C)C1 ZINC000348196176 1137453698 /nfs/dbraw/zinc/45/36/98/1137453698.db2.gz YCYVRYHWDFHNMC-UHFFFAOYSA-N -1 0 332.420 3.624 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NCc1ncc[nH]1)c1cc(Cl)cc(Cl)c1 ZINC000871066224 1137520502 /nfs/dbraw/zinc/52/05/02/1137520502.db2.gz OSYLYMGDZWQRTM-CYBMUJFWSA-N -1 0 342.226 3.658 20 0 EHADRM O=C([N-]OCCCC(F)(F)F)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000871217574 1137528173 /nfs/dbraw/zinc/52/81/73/1137528173.db2.gz LTBDABVKUIZBEN-UHFFFAOYSA-N -1 0 344.116 3.566 20 0 EHADRM CCC(CC)(CNC(=O)c1cc(F)c([O-])c(F)c1)C(F)(F)F ZINC000871263391 1137530023 /nfs/dbraw/zinc/53/00/23/1137530023.db2.gz QTXDAMSRDPXSCX-UHFFFAOYSA-N -1 0 325.277 3.769 20 0 EHADRM S=c1[n-]c2ccc(-c3noc(-c4cncc(Cl)n4)n3)cc2s1 ZINC001212645793 1137541857 /nfs/dbraw/zinc/54/18/57/1137541857.db2.gz PXZBJPBAPGFSHB-UHFFFAOYSA-N -1 0 347.812 3.745 20 0 EHADRM Cc1cc(Br)cnc1-n1[n-]c2c(c1=O)CCC(C)(C)C2 ZINC000871959448 1137563716 /nfs/dbraw/zinc/56/37/16/1137563716.db2.gz MACIQKXILYJHOK-NSHDSACASA-N -1 0 336.233 3.681 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2cncc(C(F)F)c2)cc1 ZINC000872010417 1137564413 /nfs/dbraw/zinc/56/44/13/1137564413.db2.gz QHWMQANMTXIEEN-UHFFFAOYSA-N -1 0 326.368 3.773 20 0 EHADRM CO[C@@H]1CC[C@@H](C)N(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC000872161347 1137574544 /nfs/dbraw/zinc/57/45/44/1137574544.db2.gz RVHPFPRAPHWUHE-MLGOLLRUSA-N -1 0 346.452 3.508 20 0 EHADRM CC[C@](C)(CC(=O)[O-])C(=O)Nc1cccc(C2SCCS2)c1 ZINC000872833932 1137585290 /nfs/dbraw/zinc/58/52/90/1137585290.db2.gz YSMNDVHDQBXDHR-MRXNPFEDSA-N -1 0 339.482 3.995 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])C(=O)N[C@@H](C)c1nc2ccccc2n1C(C)C ZINC000872934596 1137586712 /nfs/dbraw/zinc/58/67/12/1137586712.db2.gz FCXPPYPKBBRFEZ-DJJJIMSYSA-N -1 0 345.443 3.685 20 0 EHADRM Cc1ccc(-c2ccccc2NC(=O)C(=O)[N-]OCCC2CC2)s1 ZINC000873893821 1137607812 /nfs/dbraw/zinc/60/78/12/1137607812.db2.gz KFYPODLWLVQXAB-UHFFFAOYSA-N -1 0 344.436 3.510 20 0 EHADRM O=Cc1cc(-c2ccc(OC3CCCC3)cc2)ccc1OCC(=O)[O-] ZINC000874969067 1137627287 /nfs/dbraw/zinc/62/72/87/1137627287.db2.gz BDLSVFFHOYKNAG-UHFFFAOYSA-N -1 0 340.375 3.951 20 0 EHADRM CN(C(=O)c1ccc(-c2ccc(C=O)cc2)o1)c1ccccc1C(=O)[O-] ZINC000874970908 1137627300 /nfs/dbraw/zinc/62/73/00/1137627300.db2.gz GZBLMNZZFVMBIT-UHFFFAOYSA-N -1 0 349.342 3.734 20 0 EHADRM O=Cc1ccc(-c2cc(Cl)c3cccnc3c2OCC(=O)[O-])s1 ZINC000874973214 1137627334 /nfs/dbraw/zinc/62/73/34/1137627334.db2.gz XTNTVLVACJQSIC-UHFFFAOYSA-N -1 0 347.779 3.893 20 0 EHADRM O=Cc1cccc(-c2csc(-c3nc(CC(=O)[O-])cs3)c2)c1 ZINC000874971937 1137627344 /nfs/dbraw/zinc/62/73/44/1137627344.db2.gz FCWZRSSBRIIHBO-UHFFFAOYSA-N -1 0 329.402 3.978 20 0 EHADRM CCC(F)(F)c1ccccc1NC(=O)CCc1c(C)nc(C)[nH]c1=O ZINC000876428414 1137651601 /nfs/dbraw/zinc/65/16/01/1137651601.db2.gz MITBOSFATGNNFS-UHFFFAOYSA-N -1 0 349.381 3.872 20 0 EHADRM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@@H](C)[C@H]2CC2(F)F)c1 ZINC000877570974 1137681600 /nfs/dbraw/zinc/68/16/00/1137681600.db2.gz VLLHRJJNQPCFEP-JOYOIKCWSA-N -1 0 336.304 3.629 20 0 EHADRM C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000879348203 1137745080 /nfs/dbraw/zinc/74/50/80/1137745080.db2.gz GPAINKASHZOTII-WPPNPWJKSA-N -1 0 340.210 3.727 20 0 EHADRM Cc1ccc(CNC(=O)CCCc2ccc(O)c(F)c2)c(Cl)n1 ZINC000881882316 1137816932 /nfs/dbraw/zinc/81/69/32/1137816932.db2.gz FPKDRGVJXZXGOH-UHFFFAOYSA-N -1 0 336.794 3.527 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]C(=O)C[C@@H](C)c2ccccc2)c1 ZINC000129949611 1137832592 /nfs/dbraw/zinc/83/25/92/1137832592.db2.gz PDSWTEPODMBYPM-OAHLLOKOSA-N -1 0 345.464 3.809 20 0 EHADRM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3[nH]ccc32)c1 ZINC000130629045 1137840200 /nfs/dbraw/zinc/84/02/00/1137840200.db2.gz MJBWOPHZVZVYBH-UHFFFAOYSA-N -1 0 348.811 3.825 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2cccc(F)n2)c2ccccc12 ZINC000130818176 1137842466 /nfs/dbraw/zinc/84/24/66/1137842466.db2.gz KUEISBWUSUITJQ-UHFFFAOYSA-N -1 0 346.383 3.573 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1 ZINC000131709049 1137859326 /nfs/dbraw/zinc/85/93/26/1137859326.db2.gz DZXYLNAZMXNJRG-HOTGVXAUSA-N -1 0 345.464 3.696 20 0 EHADRM O=C(Nc1ccc2c(cccc2S(=O)(=O)[O-])c1)NC1CCCCC1 ZINC001202615086 1137884994 /nfs/dbraw/zinc/88/49/94/1137884994.db2.gz PGRCKMNPSJEORA-UHFFFAOYSA-N -1 0 348.424 3.541 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N[C@H]2CCc3ccccc32)s1 ZINC000348290170 1137903527 /nfs/dbraw/zinc/90/35/27/1137903527.db2.gz FANHSRTYSQGHKC-AWEZNQCLSA-N -1 0 330.457 3.673 20 0 EHADRM CCCc1nc(=NC(=O)N2CC[C@@H](C)C[C@H]2c2ccc(C)o2)s[n-]1 ZINC000331501180 1137910593 /nfs/dbraw/zinc/91/05/93/1137910593.db2.gz BHLBNSWTGZSWNL-YPMHNXCESA-N -1 0 348.472 3.819 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cn3c(n2)CCC[C@H]3C)c(Cl)c1 ZINC000332202627 1137935523 /nfs/dbraw/zinc/93/55/23/1137935523.db2.gz SVOGQYLVWJYAJT-LLVKDONJSA-N -1 0 339.848 3.543 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cnn(C3CCCCC3)c2C)c1 ZINC000332710998 1137951650 /nfs/dbraw/zinc/95/16/50/1137951650.db2.gz XZIBQPUBIPFCCW-UHFFFAOYSA-N -1 0 341.411 3.857 20 0 EHADRM CCC1(C(=O)[N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)CCCC1 ZINC000135409622 1137968508 /nfs/dbraw/zinc/96/85/08/1137968508.db2.gz FKCDQFYVAZHVJO-UHFFFAOYSA-N -1 0 347.839 3.563 20 0 EHADRM C[C@H](C1CC1)n1nccc1NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000073292504 1138112863 /nfs/dbraw/zinc/11/28/63/1138112863.db2.gz BFFCSARZGXPHCQ-SECBINFHSA-N -1 0 328.397 3.910 20 0 EHADRM CC(C)c1cccc(N(C)C(=O)CSc2n[n-]c(=S)s2)c1 ZINC000080606997 1138163320 /nfs/dbraw/zinc/16/33/20/1138163320.db2.gz FVNXKUURJKEZHK-UHFFFAOYSA-N -1 0 339.511 3.705 20 0 EHADRM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000887304670 1138259689 /nfs/dbraw/zinc/25/96/89/1138259689.db2.gz LBCKVMZKDAOMHU-IEHFGQBSSA-N -1 0 345.826 3.526 20 0 EHADRM CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000826565012 1138261235 /nfs/dbraw/zinc/26/12/35/1138261235.db2.gz KWXQIBXZWIGSGY-CVYDXHPNSA-N -1 0 329.440 3.563 20 0 EHADRM CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000826565018 1138261523 /nfs/dbraw/zinc/26/15/23/1138261523.db2.gz KWXQIBXZWIGSGY-MUQADHOPSA-N -1 0 329.440 3.563 20 0 EHADRM CC[C@](C)(CC(=O)[O-])C(=O)N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000887315035 1138262558 /nfs/dbraw/zinc/26/25/58/1138262558.db2.gz KUQXUCANGKWSCV-WOSRLPQWSA-N -1 0 343.345 3.569 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)Nc1ccc2c(c1)C=CC1(CCC1)O2 ZINC000887324141 1138266041 /nfs/dbraw/zinc/26/60/41/1138266041.db2.gz SLCJHZDIZBSCMQ-UHFFFAOYSA-N -1 0 347.436 3.550 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1 ZINC000887382822 1138294513 /nfs/dbraw/zinc/29/45/13/1138294513.db2.gz SVWLHCNSTVVRLZ-LBPRGKRZSA-N -1 0 336.285 3.588 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)N1CCC[C@H]1c1ccccc1Cl ZINC000333530258 1138300868 /nfs/dbraw/zinc/30/08/68/1138300868.db2.gz ITVUVCXAUZSSOX-INIZCTEOSA-N -1 0 342.830 3.798 20 0 EHADRM Cc1cc(F)ncc1Nc1ccc2c(cccc2S(=O)(=O)[O-])c1 ZINC001212816625 1138390252 /nfs/dbraw/zinc/39/02/52/1138390252.db2.gz BMZTUENBRRMQMH-UHFFFAOYSA-N -1 0 332.356 3.673 20 0 EHADRM O=S(=O)([N-]c1ccc(F)c(C2CC2)c1)c1c(F)cccc1F ZINC000337128954 1138473820 /nfs/dbraw/zinc/47/38/20/1138473820.db2.gz BCOJGPLIZPDJDH-UHFFFAOYSA-N -1 0 327.327 3.782 20 0 EHADRM CC[C@H](NC(=O)CC1(CC(=O)[O-])CCCCC1)c1nc(C)cs1 ZINC000264409656 1138504278 /nfs/dbraw/zinc/50/42/78/1138504278.db2.gz ZKEQCUJXQZUGFQ-ZDUSSCGKSA-N -1 0 338.473 3.834 20 0 EHADRM CCOc1ncc(Nc2c(Cl)c(F)[n-]c(=O)c2Cl)cc1F ZINC001212829168 1138556603 /nfs/dbraw/zinc/55/66/03/1138556603.db2.gz MNTXDTWMNNWZJY-UHFFFAOYSA-N -1 0 336.125 3.910 20 0 EHADRM Cc1nc(C)c([N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)s1 ZINC000348455347 1138586813 /nfs/dbraw/zinc/58/68/13/1138586813.db2.gz OQYVDUOCQIRIKV-UHFFFAOYSA-N -1 0 340.401 3.754 20 0 EHADRM O=S(=O)([N-]c1nc2ccccc2s1)c1cnc2ccccc2c1 ZINC000337765742 1138663211 /nfs/dbraw/zinc/66/32/11/1138663211.db2.gz MLZUQDLWXBJVAM-UHFFFAOYSA-N -1 0 341.417 3.645 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(Cc3ccccn3)ccc2C)o1 ZINC000337790789 1138668772 /nfs/dbraw/zinc/66/87/72/1138668772.db2.gz AVYMSTILXWVPLQ-UHFFFAOYSA-N -1 0 342.420 3.683 20 0 EHADRM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000337795203 1138670040 /nfs/dbraw/zinc/67/00/40/1138670040.db2.gz CUQLLVCTGVJWMC-UHFFFAOYSA-N -1 0 337.404 3.825 20 0 EHADRM CCCO[C@@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2[O-])CC1 ZINC000134181171 1138676800 /nfs/dbraw/zinc/67/68/00/1138676800.db2.gz IVKDLCWUPITTEU-GFCCVEGCSA-N -1 0 329.799 3.606 20 0 EHADRM CO[C@H](C)c1nc(=N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)s[n-]1 ZINC000337907201 1138695791 /nfs/dbraw/zinc/69/57/91/1138695791.db2.gz DKZUMKQYGNYPFJ-QRTLGDNMSA-N -1 0 343.374 3.654 20 0 EHADRM CO[C@H](C)c1nc(=NCc2sc(-c3ccccc3)nc2C)s[n-]1 ZINC000337919523 1138698219 /nfs/dbraw/zinc/69/82/19/1138698219.db2.gz XENQZRJFBUYGCU-LLVKDONJSA-N -1 0 346.481 3.711 20 0 EHADRM C[C@@H](c1cccs1)N(C)C(=O)CSc1n[n-]c(=S)s1 ZINC000176042635 1139536321 /nfs/dbraw/zinc/53/63/21/1139536321.db2.gz QSJXPBFDVFMODB-ZETCQYMHSA-N -1 0 331.513 3.574 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC(C)C)cn1 ZINC000357338187 1139574214 /nfs/dbraw/zinc/57/42/14/1139574214.db2.gz JQKFGPLRNJXHJX-UHFFFAOYSA-N -1 0 340.832 3.631 20 0 EHADRM CCCN(CCc1ccccn1)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000177116773 1139598509 /nfs/dbraw/zinc/59/85/09/1139598509.db2.gz MFWODEBMZSPVQP-UHFFFAOYSA-N -1 0 336.794 3.675 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CC[C@@H](Cc2ccccc2)C1 ZINC000180061576 1139805002 /nfs/dbraw/zinc/80/50/02/1139805002.db2.gz WQVWVXJVHRARCH-LBPRGKRZSA-N -1 0 335.325 3.514 20 0 EHADRM CCS[C@H]1CCC[C@H](NC(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000180122556 1139811572 /nfs/dbraw/zinc/81/15/72/1139811572.db2.gz GCUZPBHCZIGFSK-IUCAKERBSA-N -1 0 333.375 3.604 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)CC2(C)CCCCC2)c1Cl ZINC000777354805 1139811594 /nfs/dbraw/zinc/81/15/94/1139811594.db2.gz QLMFGRPQLMRNKH-UHFFFAOYSA-N -1 0 343.876 3.814 20 0 EHADRM O=C([O-])c1cccc(CC(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC000777358369 1139829545 /nfs/dbraw/zinc/82/95/45/1139829545.db2.gz CAOVOSDVWRYPMO-UHFFFAOYSA-N -1 0 337.347 3.881 20 0 EHADRM CCN(C(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C1CCCCC1 ZINC000180633447 1139850851 /nfs/dbraw/zinc/85/08/51/1139850851.db2.gz PINMZXJKMYUJTB-UHFFFAOYSA-N -1 0 331.391 3.512 20 0 EHADRM CC(C)(C)Oc1c(F)cc(NC(=O)CC(C)(C)C(=O)[O-])cc1F ZINC000180729374 1139859802 /nfs/dbraw/zinc/85/98/02/1139859802.db2.gz LXTCCKZDEJXRRU-UHFFFAOYSA-N -1 0 329.343 3.582 20 0 EHADRM CCCCCC[C@](C)(NC(=O)[C@H](C)c1cccc(OC)c1)C(=O)[O-] ZINC000777371801 1139897692 /nfs/dbraw/zinc/89/76/92/1139897692.db2.gz DBDUQRVOQLOGBE-KUHUBIRLSA-N -1 0 335.444 3.729 20 0 EHADRM Cc1cc(C)c2c(c1)CN(C(=O)c1ccc3[n-]c(=S)oc3c1)CC2 ZINC000777397626 1140056077 /nfs/dbraw/zinc/05/60/77/1140056077.db2.gz MEOGONUSGKLLND-UHFFFAOYSA-N -1 0 338.432 3.932 20 0 EHADRM Cn1cccc1[C@H]1CCCCN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184471163 1140104641 /nfs/dbraw/zinc/10/46/41/1140104641.db2.gz SPRIEBHNVMCVAE-OAHLLOKOSA-N -1 0 336.794 3.891 20 0 EHADRM CC(C)c1nc(/C=C/c2ccc(N(C)C(C)C)nc2)ncc1C(=O)[O-] ZINC000191302663 1140453300 /nfs/dbraw/zinc/45/33/00/1140453300.db2.gz GJNLEYVVOWOLEI-SOFGYWHQSA-N -1 0 340.427 3.708 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(N3C[C@H]4CC[C@@H]3C4)cc2)c(C)o1 ZINC000191985290 1140496423 /nfs/dbraw/zinc/49/64/23/1140496423.db2.gz RPEFQBVVSOWNPJ-WMLDXEAASA-N -1 0 346.452 3.686 20 0 EHADRM Cc1cc(=O)[nH]c([C@@H](C)N[C@@H](C)c2ccc(-c3cccnc3)cc2)n1 ZINC000192762058 1140549304 /nfs/dbraw/zinc/54/93/04/1140549304.db2.gz DLNPJBHBNBXEJF-LSDHHAIUSA-N -1 0 334.423 3.964 20 0 EHADRM O=C([O-])C1CCC(C(=O)N(C2CC2)[C@H]2CCCc3ccccc32)CC1 ZINC000194394458 1140607352 /nfs/dbraw/zinc/60/73/52/1140607352.db2.gz WFRDAMBFPVJLDZ-RJYAGPCLSA-N -1 0 341.451 3.946 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)C3CCC(C(=O)[O-])CC3)c2)oc1C ZINC000194399638 1140607838 /nfs/dbraw/zinc/60/78/38/1140607838.db2.gz KTDOUOFKWFMXQC-UHFFFAOYSA-N -1 0 342.395 3.788 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000194476180 1140611060 /nfs/dbraw/zinc/61/10/60/1140611060.db2.gz BTDCXKIFTBGBEU-SUZMYJTESA-N -1 0 344.238 3.542 20 0 EHADRM O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1cc(F)c([O-])c(Cl)c1 ZINC000194547480 1140613770 /nfs/dbraw/zinc/61/37/70/1140613770.db2.gz HDFPQLUANUZWRD-HOTGVXAUSA-N -1 0 349.789 3.835 20 0 EHADRM C[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1nc2ccccc2n1C(F)F ZINC000267188642 1140765876 /nfs/dbraw/zinc/76/58/76/1140765876.db2.gz JYLRYKYAAQNMKX-ZCFIWIBFSA-N -1 0 339.239 3.509 20 0 EHADRM CCC(=O)c1cccc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000269400153 1141103789 /nfs/dbraw/zinc/10/37/89/1141103789.db2.gz YTXZNYXJOFNUDM-HXUWFJFHSA-N -1 0 339.391 3.650 20 0 EHADRM COCCC1(C(=O)Nc2cc(Br)cc(Cl)c2[O-])CC1 ZINC000270629236 1141247817 /nfs/dbraw/zinc/24/78/17/1141247817.db2.gz GFFBVHGPCHEPFJ-UHFFFAOYSA-N -1 0 348.624 3.563 20 0 EHADRM CC(C)N(C)c1ccc(NC(=O)c2s[n-]c(=O)c2Cl)cc1F ZINC000283048893 1141544324 /nfs/dbraw/zinc/54/43/24/1141544324.db2.gz OBLMJNVYKACVKG-UHFFFAOYSA-N -1 0 343.811 3.738 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c(N)c1 ZINC000037064648 213132787 /nfs/dbraw/zinc/13/27/87/213132787.db2.gz DLHSDSJDFSEUJA-UHFFFAOYSA-N -1 0 337.253 3.746 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cccc3cccnc32)c1 ZINC000023371873 212373270 /nfs/dbraw/zinc/37/32/70/212373270.db2.gz CQTABXOCKBAPCO-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1nc(Cl)ccc1Cl ZINC000013391313 211554693 /nfs/dbraw/zinc/55/46/93/211554693.db2.gz CVRGRWHBAFVWBO-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM C[C@@H](NC(=O)CC1(C(=O)[O-])CCCC1)c1ccccc1OC(F)F ZINC000298335574 525076161 /nfs/dbraw/zinc/07/61/61/525076161.db2.gz ZYBALCOJONCILR-LLVKDONJSA-N -1 0 341.354 3.500 20 0 EHADRM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)CCCNC(=O)[O-] ZINC000736717665 599718137 /nfs/dbraw/zinc/71/81/37/599718137.db2.gz PBWSXERWOMLUPC-VIFPVBQESA-N -1 0 333.215 3.561 20 0 EHADRM C[C@H](Sc1nnc(COc2ccc(Cl)cc2Cl)o1)C(=O)[O-] ZINC000008362788 597050683 /nfs/dbraw/zinc/05/06/83/597050683.db2.gz XVWITVPJHPPMBZ-LURJTMIESA-N -1 0 349.195 3.521 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000819365206 597115737 /nfs/dbraw/zinc/11/57/37/597115737.db2.gz YRWKIJVQYSOMDN-JTQLQIEISA-N -1 0 344.383 3.720 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1ccccc1 ZINC000574138518 597118833 /nfs/dbraw/zinc/11/88/33/597118833.db2.gz XBCBBBXYIWDKHU-YOEHRIQHSA-N -1 0 332.444 3.670 20 0 EHADRM O=C([O-])Cc1cccc(NCc2cc(Br)cs2)c1 ZINC000740487530 597130294 /nfs/dbraw/zinc/13/02/94/597130294.db2.gz KNMJIKGIGJAZPZ-UHFFFAOYSA-N -1 0 326.215 3.750 20 0 EHADRM Cc1ccccc1[C@H]1CCCN1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000738322492 597183178 /nfs/dbraw/zinc/18/31/78/597183178.db2.gz UJDKZTJKTCONNZ-GOSISDBHSA-N -1 0 338.407 3.991 20 0 EHADRM Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2cccc(CC(=O)[O-])c2)s1 ZINC000738351074 597184819 /nfs/dbraw/zinc/18/48/19/597184819.db2.gz ZBSBLCFBUWXXQD-LLVKDONJSA-N -1 0 347.440 3.612 20 0 EHADRM C[C@H]1c2ccsc2CCN1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000321226318 597185969 /nfs/dbraw/zinc/18/59/69/597185969.db2.gz RCUMKNGNUDAUDU-NSHDSACASA-N -1 0 330.409 3.526 20 0 EHADRM CCCN(Cc1ccccc1F)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737827663 597192077 /nfs/dbraw/zinc/19/20/77/597192077.db2.gz DKNPVNPMNGKSLJ-UHFFFAOYSA-N -1 0 344.386 3.897 20 0 EHADRM O=C([O-])CN(C(=O)c1cccc(-c2cscn2)c1)c1ccccc1 ZINC000337757444 597262468 /nfs/dbraw/zinc/26/24/68/597262468.db2.gz UDYMYLVGXPSEME-UHFFFAOYSA-N -1 0 338.388 3.542 20 0 EHADRM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)NCCCC(=O)[O-] ZINC000263464114 597310825 /nfs/dbraw/zinc/31/08/25/597310825.db2.gz JOYCXBKRYMNSBO-VIFPVBQESA-N -1 0 333.215 3.561 20 0 EHADRM CC(C)(C(=O)Nc1ccccc1CC(=O)[O-])c1ccccc1Cl ZINC000817791779 597316939 /nfs/dbraw/zinc/31/69/39/597316939.db2.gz RWBDPKNGKQXVGC-UHFFFAOYSA-N -1 0 331.799 3.883 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000819597724 597319126 /nfs/dbraw/zinc/31/91/26/597319126.db2.gz YFZOSQKGPGUTBP-UHFFFAOYSA-N -1 0 329.783 3.637 20 0 EHADRM C[C@@H](NC(=O)Nc1ccccc1CC(=O)[O-])[C@@H](C)c1ccccc1 ZINC000818039572 597438121 /nfs/dbraw/zinc/43/81/21/597438121.db2.gz HCLQUQBANGAXPG-ZIAGYGMSSA-N -1 0 326.396 3.627 20 0 EHADRM CC(=O)c1ccc(NC(=O)Nc2cccc(CC(=O)[O-])c2)cc1Cl ZINC000819804659 597728732 /nfs/dbraw/zinc/72/87/32/597728732.db2.gz KHDHLHIKJKTOAD-UHFFFAOYSA-N -1 0 346.770 3.814 20 0 EHADRM CCN(C(=O)c1ccc(C(=O)[O-])cc1)c1nc2ccccc2s1 ZINC000820333230 598154743 /nfs/dbraw/zinc/15/47/43/598154743.db2.gz XYSQFFNQJBALGE-UHFFFAOYSA-N -1 0 326.377 3.661 20 0 EHADRM Cc1csc([C@@H]2CCCCN2C(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC000262251369 598155355 /nfs/dbraw/zinc/15/53/55/598155355.db2.gz BXUKEFYTBNSKPQ-AWEZNQCLSA-N -1 0 330.409 3.517 20 0 EHADRM O=C([O-])CCCCNC(=O)Nc1ccccc1Cc1ccccc1 ZINC000324977198 598168899 /nfs/dbraw/zinc/16/88/99/598168899.db2.gz RKBZVSUQNSOLOM-UHFFFAOYSA-N -1 0 326.396 3.654 20 0 EHADRM CSc1cccc(NC(=O)Nc2cccc(CC(=O)[O-])c2)c1C ZINC000820910142 598176250 /nfs/dbraw/zinc/17/62/50/598176250.db2.gz QMTCMYVEILQTES-UHFFFAOYSA-N -1 0 330.409 3.988 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000261881940 599702402 /nfs/dbraw/zinc/70/24/02/599702402.db2.gz REPBGNCBJUOBNZ-UHFFFAOYSA-N -1 0 341.382 3.619 20 0 EHADRM Cc1cc(C)c(-c2csc(NC(=O)CCCNC(=O)[O-])n2)c(C)c1 ZINC000738352507 599707952 /nfs/dbraw/zinc/70/79/52/599707952.db2.gz RGHSRDIQADAAQJ-UHFFFAOYSA-N -1 0 347.440 3.722 20 0 EHADRM CC(C)Cc1ccc([C@H](NC(=O)CCCNC(=O)[O-])C(C)C)cc1 ZINC000736453158 599712186 /nfs/dbraw/zinc/71/21/86/599712186.db2.gz IBERCOJIADRWFT-GOSISDBHSA-N -1 0 334.460 3.746 20 0 EHADRM O=C([O-])C1(NC(=O)[C@H]2C[C@H]2c2cccc3ccccc32)CCCCC1 ZINC000238053938 599715668 /nfs/dbraw/zinc/71/56/68/599715668.db2.gz RZWIUKLJKRGGHZ-ROUUACIJSA-N -1 0 337.419 3.847 20 0 EHADRM C[C@H](Cc1cccs1)NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736628373 599716157 /nfs/dbraw/zinc/71/61/57/599716157.db2.gz CJZACGSLTPGROT-SECBINFHSA-N -1 0 337.376 3.730 20 0 EHADRM CCCN(C(=O)CCCNC(=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000737010226 599725887 /nfs/dbraw/zinc/72/58/87/599725887.db2.gz ZZWVZBZSIOYGSB-ZDUSSCGKSA-N -1 0 332.400 3.780 20 0 EHADRM O=C([O-])Nc1cc(NC(=S)NCCc2cccs2)ccc1F ZINC000740012001 599744279 /nfs/dbraw/zinc/74/42/79/599744279.db2.gz IIAYDZZTKGXBSM-UHFFFAOYSA-N -1 0 339.417 3.506 20 0 EHADRM Cc1nc(CC(C)C)sc1C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000431993521 599745017 /nfs/dbraw/zinc/74/50/17/599745017.db2.gz SOUQBZTZOMASKQ-UHFFFAOYSA-N -1 0 338.473 3.557 20 0 EHADRM O=C([O-])CC1CCN(C(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)CC1 ZINC000262073567 599749835 /nfs/dbraw/zinc/74/98/35/599749835.db2.gz FVTZWADUZXDGDO-RBUKOAKNSA-N -1 0 337.419 3.657 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CSc2ccnc3ccccc32)cc1 ZINC000738475286 599750327 /nfs/dbraw/zinc/75/03/27/599750327.db2.gz CHBTXGWEAQCSEW-UHFFFAOYSA-N -1 0 338.388 3.664 20 0 EHADRM O=C([O-])c1cccc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)n1 ZINC000740214494 599766000 /nfs/dbraw/zinc/76/60/00/599766000.db2.gz JOQWIDWVCXBXML-INIZCTEOSA-N -1 0 344.798 3.704 20 0 EHADRM Cc1cc(C)c(OCC(=O)Nc2ccc(CCC(=O)[O-])cc2)c(C)c1 ZINC000262132244 599766603 /nfs/dbraw/zinc/76/66/03/599766603.db2.gz DATNYZKUCOZEBO-UHFFFAOYSA-N -1 0 341.407 3.647 20 0 EHADRM CCOc1ccccc1CCC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000236911523 599767097 /nfs/dbraw/zinc/76/70/97/599767097.db2.gz NOVWDUUZKXYMLL-UHFFFAOYSA-N -1 0 341.407 3.674 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CC3(CCC3)c3c2cccc3F)c1 ZINC000567863572 599768786 /nfs/dbraw/zinc/76/87/86/599768786.db2.gz UUXSGLOLYZALQT-UHFFFAOYSA-N -1 0 325.339 3.606 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cc1 ZINC000238035885 599768991 /nfs/dbraw/zinc/76/89/91/599768991.db2.gz ZZMQWJNZZILWIX-UHFFFAOYSA-N -1 0 327.355 3.513 20 0 EHADRM CCCOc1cccc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC000236874464 599770311 /nfs/dbraw/zinc/77/03/11/599770311.db2.gz WRNSWBCYLDOCDT-UHFFFAOYSA-N -1 0 327.380 3.745 20 0 EHADRM CCOc1ccc(CCC(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000236923441 599771259 /nfs/dbraw/zinc/77/12/59/599771259.db2.gz JZPDZYBHDOLLIC-UHFFFAOYSA-N -1 0 341.407 3.674 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)CCCOc2cccc(F)c2)cc1 ZINC000238026620 599771337 /nfs/dbraw/zinc/77/13/37/599771337.db2.gz CDYYZQRZJNVMCY-UHFFFAOYSA-N -1 0 345.370 3.641 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccccc1F ZINC000237594052 599772459 /nfs/dbraw/zinc/77/24/59/599772459.db2.gz MFZNRHLUDXEJAY-ZDUSSCGKSA-N -1 0 329.371 3.975 20 0 EHADRM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000736426617 599788665 /nfs/dbraw/zinc/78/86/65/599788665.db2.gz LREJYEXGEKEQHW-PBHICJAKSA-N -1 0 348.443 3.876 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)OC(=O)C1CCCCCC1 ZINC000738525346 599790070 /nfs/dbraw/zinc/79/00/70/599790070.db2.gz KLNQMMQZIGWTHC-ZDUSSCGKSA-N -1 0 347.411 3.534 20 0 EHADRM O=C([O-])c1coc(COC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)c1 ZINC000740268069 599791484 /nfs/dbraw/zinc/79/14/84/599791484.db2.gz PLGBBQFTMZELAH-MSOLQXFVSA-N -1 0 336.343 3.978 20 0 EHADRM CC(C)(NC(=O)NCCCCC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000736325062 599793620 /nfs/dbraw/zinc/79/36/20/599793620.db2.gz VSRGTUDBTNTFGO-UHFFFAOYSA-N -1 0 347.242 3.783 20 0 EHADRM O=C([O-])CCCCCNC(=O)COc1ccc(Cl)c2ccccc12 ZINC000261936242 599795010 /nfs/dbraw/zinc/79/50/10/599795010.db2.gz WUWBSENEUSXRRA-UHFFFAOYSA-N -1 0 349.814 3.633 20 0 EHADRM O=C([O-])c1c(NC(=O)c2ccc(Cl)cc2F)sc2c1CCC2 ZINC000314032443 599798383 /nfs/dbraw/zinc/79/83/83/599798383.db2.gz AINRLRDLQFHZSG-UHFFFAOYSA-N -1 0 339.775 3.980 20 0 EHADRM Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000262662317 599800178 /nfs/dbraw/zinc/80/01/78/599800178.db2.gz UTBHBMOSAHSSBS-KBRIMQKVSA-N -1 0 339.391 3.794 20 0 EHADRM O=C([O-])c1sccc1NC(=O)CSCc1ccc(Cl)cc1 ZINC000037451779 599803045 /nfs/dbraw/zinc/80/30/45/599803045.db2.gz ZRPPRMYZZDJHHK-UHFFFAOYSA-N -1 0 341.841 3.972 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)C[C@H]2CCCc3ccccc32)c1 ZINC000238145831 599811765 /nfs/dbraw/zinc/81/17/65/599811765.db2.gz CTHRIOVRVTXYFK-CYBMUJFWSA-N -1 0 327.355 3.973 20 0 EHADRM CCC[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(C)c1)c1ccccn1 ZINC000736971152 599821247 /nfs/dbraw/zinc/82/12/47/599821247.db2.gz ABSILLCSPVEZCI-INIZCTEOSA-N -1 0 327.384 3.751 20 0 EHADRM CC(C)(NC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccccc1 ZINC000392293699 599824658 /nfs/dbraw/zinc/82/46/58/599824658.db2.gz UDLDNAUQGLAGSY-UHFFFAOYSA-N -1 0 326.396 3.761 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)NCc2cccc(Cl)c2)cc1 ZINC000322950306 599826966 /nfs/dbraw/zinc/82/69/66/599826966.db2.gz SNBYLZSGZOHOET-UHFFFAOYSA-N -1 0 332.787 3.679 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)NC2CC(c3ccccc3)C2)cc1 ZINC000739761252 599830423 /nfs/dbraw/zinc/83/04/23/599830423.db2.gz ROTQIKMECVWHSB-UHFFFAOYSA-N -1 0 338.407 3.772 20 0 EHADRM C[C@@H](CC(=O)N(CC(=O)[O-])Cc1ccc(F)c(F)c1)c1ccccc1 ZINC000431984283 599832969 /nfs/dbraw/zinc/83/29/69/599832969.db2.gz GMZIYZAWPIPBNY-ZDUSSCGKSA-N -1 0 347.361 3.572 20 0 EHADRM CC(C)c1ccc(C2(CNC(=O)C(C)(C)NC(=O)[O-])CCCC2)cc1 ZINC000736513150 599834153 /nfs/dbraw/zinc/83/41/53/599834153.db2.gz QWERHEHFNHMVMN-UHFFFAOYSA-N -1 0 346.471 3.784 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)c1cncc3ccccc31)CCC2 ZINC000740068333 599835347 /nfs/dbraw/zinc/83/53/47/599835347.db2.gz DSECCCYXGFQCMI-UHFFFAOYSA-N -1 0 338.388 3.736 20 0 EHADRM CCN(c1ccc(C(=O)N(C)c2ccccc2C(=O)[O-])cc1)C(C)C ZINC000737108913 599836699 /nfs/dbraw/zinc/83/66/99/599836699.db2.gz PCVSLLBUWGYZFY-UHFFFAOYSA-N -1 0 340.423 3.896 20 0 EHADRM Cc1sc(-c2ccco2)nc1C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000324050618 599838357 /nfs/dbraw/zinc/83/83/57/599838357.db2.gz UKURKMJQJMZLIV-UHFFFAOYSA-N -1 0 342.376 3.686 20 0 EHADRM CC[C@H](CC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)C(C)C ZINC000736892490 599840397 /nfs/dbraw/zinc/84/03/97/599840397.db2.gz QUYXFIJRHURGBI-CQSZACIVSA-N -1 0 332.444 3.996 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(C)oc2C)cc1 ZINC000237351662 599848478 /nfs/dbraw/zinc/84/84/78/599848478.db2.gz VMENNEILMSAQLQ-OAHLLOKOSA-N -1 0 333.409 3.564 20 0 EHADRM Cc1cccc(-c2noc(CNc3ccc(CCC(=O)[O-])cc3)n2)c1 ZINC000738680277 599857678 /nfs/dbraw/zinc/85/76/78/599857678.db2.gz DEUVEVQXEACYQH-UHFFFAOYSA-N -1 0 337.379 3.674 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)N[C@H]1CCCN(C(=O)[O-])C1)c1ccccc1 ZINC000736252076 599870088 /nfs/dbraw/zinc/87/00/88/599870088.db2.gz YARNWSWDJLZGHT-JKSUJKDBSA-N -1 0 347.459 3.606 20 0 EHADRM Cc1cccc(C(=O)NCc2c3ccccc3sc2C(=O)[O-])c1 ZINC000676019135 599873231 /nfs/dbraw/zinc/87/32/31/599873231.db2.gz UCWWCSNVJQSMGK-UHFFFAOYSA-N -1 0 325.389 3.838 20 0 EHADRM Cc1c(C(=O)[O-])sc2[nH]c(-c3ccc(Cl)s3)nc(=O)c12 ZINC000738290044 599877006 /nfs/dbraw/zinc/87/70/06/599877006.db2.gz IFGNEOPZJZFPSY-UHFFFAOYSA-N -1 0 326.786 3.785 20 0 EHADRM O=C([O-])c1coc(COC(=O)CCSc2ccccc2Cl)c1 ZINC000739251759 599877867 /nfs/dbraw/zinc/87/78/67/599877867.db2.gz MUISZBVBTXKLOY-UHFFFAOYSA-N -1 0 340.784 3.857 20 0 EHADRM O=C([O-])c1ccc(Cl)cc1OC(=O)c1csc(-c2ccoc2)n1 ZINC000740296166 599884438 /nfs/dbraw/zinc/88/44/38/599884438.db2.gz HDUCFSQUQZDSGI-UHFFFAOYSA-N -1 0 349.751 3.974 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C\C(=O)OCc1ccc(C(=O)[O-])o1 ZINC000736890437 599885253 /nfs/dbraw/zinc/88/52/53/599885253.db2.gz BDLANCLSOZFGQD-BIRHUZIMSA-N -1 0 344.363 3.912 20 0 EHADRM O=C([O-])c1cccc(OCCOC(=O)c2ccc(C(F)F)cc2)c1 ZINC000740230718 599886773 /nfs/dbraw/zinc/88/67/73/599886773.db2.gz DTKGQLDOJLYONV-UHFFFAOYSA-N -1 0 336.290 3.558 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000736378237 599888334 /nfs/dbraw/zinc/88/83/34/599888334.db2.gz WNRGAYHJCLEAQZ-INIZCTEOSA-N -1 0 328.368 3.710 20 0 EHADRM Cc1[nH]c(C(=O)CN(c2ccccc2C)C(C)C)c(C)c1C(=O)[O-] ZINC000738779241 599894635 /nfs/dbraw/zinc/89/46/35/599894635.db2.gz XJVSDWGHVBHKSY-UHFFFAOYSA-N -1 0 328.412 3.736 20 0 EHADRM C[C@H](CN(C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)C1CC1)C(=O)[O-] ZINC000237616320 599897621 /nfs/dbraw/zinc/89/76/21/599897621.db2.gz WCIHUVVTEWZPTK-ZNOIYHFQSA-N -1 0 337.419 3.655 20 0 EHADRM O=C([O-])COC(=O)c1sc2cc(Br)ccc2c1Cl ZINC000738615581 599904323 /nfs/dbraw/zinc/90/43/23/599904323.db2.gz JPMSHGOKIJJVDB-UHFFFAOYSA-N -1 0 349.589 3.559 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000740029190 599906525 /nfs/dbraw/zinc/90/65/25/599906525.db2.gz QBVSOLUATCMZTG-ZDUSSCGKSA-N -1 0 338.285 3.810 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N[C@@H]2CCOc3c(Cl)cccc32)c1 ZINC000740028743 599908947 /nfs/dbraw/zinc/90/89/47/599908947.db2.gz HZBLUXSTLTYNEF-CQSZACIVSA-N -1 0 346.770 3.684 20 0 EHADRM CCCCN(Cc1ccccc1Cl)C(=S)NCCCC(=O)[O-] ZINC000736994237 599912123 /nfs/dbraw/zinc/91/21/23/599912123.db2.gz QGVMZAQTMKFELG-UHFFFAOYSA-N -1 0 342.892 3.681 20 0 EHADRM CC(C)COC[C@@H](NC(=O)c1cccc(NC(=O)[O-])c1)c1ccco1 ZINC000736445074 599912084 /nfs/dbraw/zinc/91/20/84/599912084.db2.gz AHJZOWMTALJGOX-OAHLLOKOSA-N -1 0 346.383 3.513 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)C[C@H](C)c2ccccc2F)c1 ZINC000737940448 599912610 /nfs/dbraw/zinc/91/26/10/599912610.db2.gz RFFCMSDBQRKQPZ-NSHDSACASA-N -1 0 332.327 3.632 20 0 EHADRM CC(C)(NC(=O)c1cc2c(s1)-c1ccccc1C(C)(C)C2)C(=O)[O-] ZINC000736339573 599912982 /nfs/dbraw/zinc/91/29/82/599912982.db2.gz SSKMJJAOGMURER-UHFFFAOYSA-N -1 0 343.448 3.842 20 0 EHADRM Cc1csc(Sc2ccc(NC(=O)CCC(=O)[O-])c(C)c2)n1 ZINC000567276663 599914358 /nfs/dbraw/zinc/91/43/58/599914358.db2.gz QVHBTDNUUSFZBG-UHFFFAOYSA-N -1 0 336.438 3.714 20 0 EHADRM Cc1cc(NC(=O)C2(c3ccc(F)cc3)CCC2)ccc1C(=O)[O-] ZINC000237793896 599916295 /nfs/dbraw/zinc/91/62/95/599916295.db2.gz QYFJGMWSAADUNI-UHFFFAOYSA-N -1 0 327.355 3.893 20 0 EHADRM Cc1cc(NC(=O)COc2ccc(F)c(Cl)c2)ccc1C(=O)[O-] ZINC000237709330 599916338 /nfs/dbraw/zinc/91/63/38/599916338.db2.gz OYTXWOYZAYETFU-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)c2cccc(F)c2F)c1 ZINC000238076015 599920076 /nfs/dbraw/zinc/92/00/76/599920076.db2.gz MVFOXWZIPIJXNK-UHFFFAOYSA-N -1 0 337.347 3.535 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)[C@H](CC)Oc1ccccc1C(C)C)C(=O)[O-] ZINC000736929547 599926690 /nfs/dbraw/zinc/92/66/90/599926690.db2.gz QTCKPKKBEBVLKT-KMFMINBZSA-N -1 0 335.444 3.583 20 0 EHADRM O=C([O-])CCSc1nnc(-c2cccs2)n1Cc1ccccc1 ZINC000738596387 599927148 /nfs/dbraw/zinc/92/71/48/599927148.db2.gz GETVZVSSXZDNEP-UHFFFAOYSA-N -1 0 345.449 3.622 20 0 EHADRM C[C@H](NC(=O)[C@@H](Sc1ccccc1Cl)c1ccccc1)C(=O)[O-] ZINC000237441717 599927683 /nfs/dbraw/zinc/92/76/83/599927683.db2.gz WQEKMVIOOUVWPL-NHYWBVRUSA-N -1 0 349.839 3.763 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)c1ccccc1F ZINC000237381624 599927720 /nfs/dbraw/zinc/92/77/20/599927720.db2.gz GASXIBFZQMSZLE-JTQLQIEISA-N -1 0 341.342 3.533 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000139380376 599933936 /nfs/dbraw/zinc/93/39/36/599933936.db2.gz GVOVZHSBJHCMKA-KURKYZTESA-N -1 0 341.382 3.652 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000263131142 599934048 /nfs/dbraw/zinc/93/40/48/599934048.db2.gz GVOVZHSBJHCMKA-BZSNNMDCSA-N -1 0 341.382 3.652 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)CCc1ccccc1Cl)c1ccccc1 ZINC000193457548 599936964 /nfs/dbraw/zinc/93/69/64/599936964.db2.gz CQQPHVMLJCWYAG-QGZVFWFLSA-N -1 0 345.826 3.995 20 0 EHADRM O=C([O-])c1sc2ccccc2c1COC(=O)Cc1cccs1 ZINC000739349517 599943647 /nfs/dbraw/zinc/94/36/47/599943647.db2.gz OEFGAOKALILACR-UHFFFAOYSA-N -1 0 332.402 3.947 20 0 EHADRM Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(C(=O)[O-])c2O)c1 ZINC000738553673 599946007 /nfs/dbraw/zinc/94/60/07/599946007.db2.gz YDELVOKEELSCFN-UHFFFAOYSA-N -1 0 343.379 3.540 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)Nc1cccc(C(=O)[O-])c1O ZINC000738262689 599947700 /nfs/dbraw/zinc/94/77/00/599947700.db2.gz JPNFCODAPBDRHW-UHFFFAOYSA-N -1 0 325.320 3.706 20 0 EHADRM O=C([O-])c1cccc(NC(=O)[C@H]2C[C@H]2c2cccc3ccccc32)c1O ZINC000740228483 599950646 /nfs/dbraw/zinc/95/06/46/599950646.db2.gz LVEDJRDVNGJBTJ-IRXDYDNUSA-N -1 0 347.370 3.986 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)c1cc2c(cccc2F)[nH]1)c1ccccc1 ZINC000139338292 599952186 /nfs/dbraw/zinc/95/21/86/599952186.db2.gz KBRPVBXEKSSVDQ-OAHLLOKOSA-N -1 0 340.354 3.643 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N[C@H](CCC(=O)[O-])c3ccccc3)cc2c1 ZINC000531998692 599952564 /nfs/dbraw/zinc/95/25/64/599952564.db2.gz BKBBVPFQBLVSJK-MRXNPFEDSA-N -1 0 336.391 3.812 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)c1csc2c1CCCC2)c1ccccc1 ZINC000324479131 599953454 /nfs/dbraw/zinc/95/34/54/599953454.db2.gz LWRXRAJZKAZHDD-MRXNPFEDSA-N -1 0 343.448 3.963 20 0 EHADRM CCC[C@H](NC(=O)CNc1ccc(C(=O)[O-])c(C)c1)c1ccccc1 ZINC000736970428 599960764 /nfs/dbraw/zinc/96/07/64/599960764.db2.gz MNUKIUQKIPWRFY-SFHVURJKSA-N -1 0 340.423 3.763 20 0 EHADRM Cc1cc(NCC(=O)N[C@@H](C)c2ccccc2Cl)ccc1C(=O)[O-] ZINC000738460107 599961349 /nfs/dbraw/zinc/96/13/49/599961349.db2.gz OTCLUYXVWWPTJV-LBPRGKRZSA-N -1 0 346.814 3.636 20 0 EHADRM CN(C(=O)NCCOc1ccc(C(=O)[O-])cc1)C1CCCCCCC1 ZINC000737327963 599962610 /nfs/dbraw/zinc/96/26/10/599962610.db2.gz YHQQHUFGLZDLHO-UHFFFAOYSA-N -1 0 348.443 3.518 20 0 EHADRM Cc1ccc(NC(=O)CNc2ccc(C(=O)[O-])c(C)c2)c(Cl)c1 ZINC000738622184 599962788 /nfs/dbraw/zinc/96/27/88/599962788.db2.gz OASTWSGPDKLWSE-UHFFFAOYSA-N -1 0 332.787 3.706 20 0 EHADRM COc1ccc(NC(=S)Nc2ccc(C(=O)[O-])s2)cc1Cl ZINC000738038801 599968161 /nfs/dbraw/zinc/96/81/61/599968161.db2.gz ITXBXJYBZDFLMD-UHFFFAOYSA-N -1 0 342.829 3.917 20 0 EHADRM Cc1cccc2cc(C(=O)N[C@H](C(=O)[O-])c3cc(F)ccc3F)oc21 ZINC000738749658 599971456 /nfs/dbraw/zinc/97/14/56/599971456.db2.gz JLJNSXIDGJVVMI-HNNXBMFYSA-N -1 0 345.301 3.575 20 0 EHADRM O=C([O-])[C@H](NC(=O)CCCC1CCCCC1)c1cc(F)ccc1F ZINC000739235482 599980899 /nfs/dbraw/zinc/98/08/99/599980899.db2.gz LGONHEXSROPYPH-QGZVFWFLSA-N -1 0 339.382 3.957 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)OCCOc2cccc(Cl)c2)c1 ZINC000740040836 599999401 /nfs/dbraw/zinc/99/94/01/599999401.db2.gz YQTWRVQUJNIGQA-UHFFFAOYSA-N -1 0 335.743 3.666 20 0 EHADRM CCCCOc1ccc(C(=O)Nc2cc(OC)ccc2C(=O)[O-])cc1 ZINC000327380895 600000680 /nfs/dbraw/zinc/00/06/80/600000680.db2.gz OHRAWTNVQVFJRC-UHFFFAOYSA-N -1 0 343.379 3.825 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000325897093 600003506 /nfs/dbraw/zinc/00/35/06/600003506.db2.gz VNKQQVFIMROYHT-UHFFFAOYSA-N -1 0 329.396 3.548 20 0 EHADRM Cc1nc2sc3c(c2c(NC2CCC(C(=O)[O-])CC2)n1)CCC3 ZINC000263547788 600006731 /nfs/dbraw/zinc/00/67/31/600006731.db2.gz IJQYKWUDDIYJMG-UHFFFAOYSA-N -1 0 331.441 3.544 20 0 EHADRM Cc1c(NC(=O)NC(C)(C)c2ccc(F)cc2)cccc1C(=O)[O-] ZINC000738305324 600007795 /nfs/dbraw/zinc/00/77/95/600007795.db2.gz YZYMJJPVCHMBNS-UHFFFAOYSA-N -1 0 330.359 3.889 20 0 EHADRM COc1ccc(CN(C)C(=O)Nc2cccc(C(=O)[O-])c2C)cc1C ZINC000737995908 600007989 /nfs/dbraw/zinc/00/79/89/600007989.db2.gz SXYVLIBFJGSPNP-UHFFFAOYSA-N -1 0 342.395 3.674 20 0 EHADRM Cc1cc(NC(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)ccc1C(=O)[O-] ZINC000738439521 600014646 /nfs/dbraw/zinc/01/46/46/600014646.db2.gz DEBIRQULRIMUNV-CVEARBPZSA-N -1 0 328.343 3.510 20 0 EHADRM Cc1cc(NC(=O)NCc2ccc(OC(C)C)cc2)ccc1C(=O)[O-] ZINC000738442317 600016094 /nfs/dbraw/zinc/01/60/94/600016094.db2.gz UUJFYEKXNHZVKG-UHFFFAOYSA-N -1 0 342.395 3.802 20 0 EHADRM Cc1cc(NC(=O)NCCc2c[nH]c3ccccc23)ccc1C(=O)[O-] ZINC000738442693 600016928 /nfs/dbraw/zinc/01/69/28/600016928.db2.gz YQMNUEIOVYYWCS-UHFFFAOYSA-N -1 0 337.379 3.539 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1F ZINC000737947315 600017591 /nfs/dbraw/zinc/01/75/91/600017591.db2.gz HPZIBDHUFBMTRL-LLVKDONJSA-N -1 0 346.358 3.724 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)O[C@H]2CCCc3ccccc3C2=O)cc1 ZINC000738663639 600020123 /nfs/dbraw/zinc/02/01/23/600020123.db2.gz LPTXDFWQSUOSGO-INIZCTEOSA-N -1 0 339.347 3.521 20 0 EHADRM Cc1cc2occ(CC(=O)N3CCC[C@H](C(=O)[O-])C3)c2cc1C(C)C ZINC000236699556 600020446 /nfs/dbraw/zinc/02/04/46/600020446.db2.gz UYVAKTHJTYOQRR-AWEZNQCLSA-N -1 0 343.423 3.730 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)Nc1cccc(-n2cccc2)c1)c1ccccc1 ZINC000738565325 600022400 /nfs/dbraw/zinc/02/24/00/600022400.db2.gz ILNJQJLGWSXQIA-GOSISDBHSA-N -1 0 349.390 3.815 20 0 EHADRM CC(C)CCN(CCC(C)C)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000261867769 600026070 /nfs/dbraw/zinc/02/60/70/600026070.db2.gz KYJXETJMFSUPTE-UHFFFAOYSA-N -1 0 326.481 3.734 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000738285273 600028887 /nfs/dbraw/zinc/02/88/87/600028887.db2.gz AOIIPQYLFXNEPM-UHFFFAOYSA-N -1 0 328.295 3.727 20 0 EHADRM CCc1ccc([C@H](C)NC(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000236977164 600034779 /nfs/dbraw/zinc/03/47/79/600034779.db2.gz QVKOYZMPVHLIQD-AWEZNQCLSA-N -1 0 325.408 3.757 20 0 EHADRM COc1ccccc1C/C(C)=C\C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000738123282 600034953 /nfs/dbraw/zinc/03/49/53/600034953.db2.gz CRFJQKDPOCZMLY-QBFSEMIESA-N -1 0 325.364 3.521 20 0 EHADRM COc1cccc([C@@H]2C[C@@H]2C(=O)Oc2ccc(C(=O)[O-])cc2Cl)c1 ZINC000738096597 600035738 /nfs/dbraw/zinc/03/57/38/600035738.db2.gz QRGMWOWDKZAHKO-KBPBESRZSA-N -1 0 346.766 3.756 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N(Cc2ccco2)C2CCCC2)cc1 ZINC000238057637 600037685 /nfs/dbraw/zinc/03/76/85/600037685.db2.gz FFLDTDYYAOBOPI-UHFFFAOYSA-N -1 0 341.407 3.882 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N(CC2CCCCC2)C2CC2)cc1 ZINC000238056760 600039928 /nfs/dbraw/zinc/03/99/28/600039928.db2.gz LKBDRIMKDGNENM-UHFFFAOYSA-N -1 0 329.440 3.889 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N(C2CC2)[C@@H]2CCc3ccccc32)cc1 ZINC000238028142 600040139 /nfs/dbraw/zinc/04/01/39/600040139.db2.gz QEVRVJWASINETN-HXUWFJFHSA-N -1 0 349.430 3.996 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)C2 ZINC000326097079 600040932 /nfs/dbraw/zinc/04/09/32/600040932.db2.gz BZINVDMYWMVYTA-QMTHXVAHSA-N -1 0 341.329 3.596 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)/C=C\c1ccc(Cl)s1)C2 ZINC000317350473 600041144 /nfs/dbraw/zinc/04/11/44/600041144.db2.gz RLQGUQDBSMTQDT-XQRVVYSFSA-N -1 0 333.796 3.655 20 0 EHADRM Cc1oc(CN(C)C(=O)N[C@H]2CCCC[C@@H]2C(C)C)cc1C(=O)[O-] ZINC000738968290 600042111 /nfs/dbraw/zinc/04/21/11/600042111.db2.gz XVOHHTUKLPPHJJ-ZBFHGGJFSA-N -1 0 336.432 3.642 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)/C=C/Sc1ccccc1)C2 ZINC000740189584 600046810 /nfs/dbraw/zinc/04/68/10/600046810.db2.gz UAQYPTROOIKWOS-CMDGGOBGSA-N -1 0 325.389 3.533 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000261844341 600048824 /nfs/dbraw/zinc/04/88/24/600048824.db2.gz ZARLBJXBDBHBPK-UHFFFAOYSA-N -1 0 335.787 3.768 20 0 EHADRM CC(C)(C)c1cc(NC(=O)c2ccc(C(=O)[O-])cc2)n(C(C)(C)C)n1 ZINC000519818908 600049238 /nfs/dbraw/zinc/04/92/38/600049238.db2.gz HQKSQXOYWWNOJX-UHFFFAOYSA-N -1 0 343.427 3.886 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C\C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000736890475 600051218 /nfs/dbraw/zinc/05/12/18/600051218.db2.gz CCTKRDKUTTYVBF-JBOLZICSSA-N -1 0 345.439 3.637 20 0 EHADRM Cc1ccc(-c2nnc(SCc3ccoc3C(=O)[O-])o2)c(C)c1 ZINC000738495801 600056640 /nfs/dbraw/zinc/05/66/40/600056640.db2.gz ZAJVUCJNQSIDBP-UHFFFAOYSA-N -1 0 330.365 3.937 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000739552620 600059053 /nfs/dbraw/zinc/05/90/53/600059053.db2.gz JFPVJJDMBCJCFS-ZIAGYGMSSA-N -1 0 338.388 3.623 20 0 EHADRM O=C([O-])c1cc(F)ccc1COc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000316220645 600059073 /nfs/dbraw/zinc/05/90/73/600059073.db2.gz YSTNIAFZFHQQKS-UHFFFAOYSA-N -1 0 325.679 3.665 20 0 EHADRM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000739550914 600061787 /nfs/dbraw/zinc/06/17/87/600061787.db2.gz ZBJZXEZHHUMGMJ-STQMWFEESA-N -1 0 338.388 3.623 20 0 EHADRM CC/C(=C\C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000736834266 600062358 /nfs/dbraw/zinc/06/23/58/600062358.db2.gz HOMQXFUWTVWDLQ-WMLIUMLHSA-N -1 0 327.424 3.724 20 0 EHADRM C/C(=C\C(=O)Nc1nc(C)c(C(=O)[O-])s1)c1ccccc1Cl ZINC000736122193 600062535 /nfs/dbraw/zinc/06/25/35/600062535.db2.gz XESJHTNTFDXGTK-BQYQJAHWSA-N -1 0 336.800 3.845 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000236942873 600063644 /nfs/dbraw/zinc/06/36/44/600063644.db2.gz SKQGEGMAOBTGKU-LBPRGKRZSA-N -1 0 329.421 3.988 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)c(C)[nH]1 ZINC000611463744 600067038 /nfs/dbraw/zinc/06/70/38/600067038.db2.gz VURPARXDXONIRN-UHFFFAOYSA-N -1 0 332.425 3.592 20 0 EHADRM CCC(CC)(NC(=O)CN(C)C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000736892846 600069120 /nfs/dbraw/zinc/06/91/20/600069120.db2.gz CZTVUBNGNJCHDI-UHFFFAOYSA-N -1 0 347.242 3.735 20 0 EHADRM CCOC(=O)[C@@H](Nc1ccc(N(C)C(=O)[O-])cc1)c1ccccc1 ZINC000737132565 600084550 /nfs/dbraw/zinc/08/45/50/600084550.db2.gz MLDZQFJNYMFARN-INIZCTEOSA-N -1 0 328.368 3.517 20 0 EHADRM CC(C)(C(=O)Nc1ccc(F)c(NC(=O)[O-])c1)c1ccccc1F ZINC000736230573 600086001 /nfs/dbraw/zinc/08/60/01/600086001.db2.gz KRJQLSNKKWWWEQ-UHFFFAOYSA-N -1 0 334.322 3.971 20 0 EHADRM COc1cccc2cc(C(=O)Nc3ccc(F)c(NC(=O)[O-])c3)oc21 ZINC000738113307 600087523 /nfs/dbraw/zinc/08/75/23/600087523.db2.gz CUYPQQYBZYBNIB-UHFFFAOYSA-N -1 0 344.298 3.923 20 0 EHADRM C/C=C/c1ccc(OC(=O)CCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000736835405 600099035 /nfs/dbraw/zinc/09/90/35/600099035.db2.gz LYUBGQRJCKDGJF-ONEGZZNKSA-N -1 0 340.375 3.965 20 0 EHADRM COc1ccccc1C/C(C)=C\C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC000738123352 600108857 /nfs/dbraw/zinc/10/88/57/600108857.db2.gz FVTQYAFTLSJKEX-OWBHPGMISA-N -1 0 340.375 3.626 20 0 EHADRM O=C([O-])c1ccc(-c2noc(CCc3ccccc3Cl)n2)cc1 ZINC000740101822 600111696 /nfs/dbraw/zinc/11/16/96/600111696.db2.gz TXNWPPZSFFSHRQ-UHFFFAOYSA-N -1 0 328.755 3.873 20 0 EHADRM Cc1cc(C)cc(OCCc2nc(-c3ccc(C(=O)[O-])cc3)no2)c1 ZINC000738368339 600114738 /nfs/dbraw/zinc/11/47/38/600114738.db2.gz BFGTZXCFDYUUHV-UHFFFAOYSA-N -1 0 338.363 3.673 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000740079274 600115437 /nfs/dbraw/zinc/11/54/37/600115437.db2.gz NNRNLQGMLXLXPD-UHFFFAOYSA-N -1 0 348.757 3.952 20 0 EHADRM CC(C)Oc1ccccc1CC(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000736492866 600116492 /nfs/dbraw/zinc/11/64/92/600116492.db2.gz LEFFFBDEKZZZMR-UHFFFAOYSA-N -1 0 346.354 3.597 20 0 EHADRM CC(C)[C@H]1CCC[C@H](NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000736395460 600120843 /nfs/dbraw/zinc/12/08/43/600120843.db2.gz MJUYGIWTGKCFCV-QWRGUYRKSA-N -1 0 340.370 3.999 20 0 EHADRM Cc1cc(NC(=O)c2cc(F)c(Cl)cc2Cl)c(C(=O)[O-])[nH]1 ZINC000163407132 600121751 /nfs/dbraw/zinc/12/17/51/600121751.db2.gz RFVIAOLOQZVXKX-UHFFFAOYSA-N -1 0 331.130 3.720 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC000736185851 600122818 /nfs/dbraw/zinc/12/28/18/600122818.db2.gz GJOBWMLIJWTJGV-NSHDSACASA-N -1 0 344.338 3.511 20 0 EHADRM CC(C)[C@H](C)N(C)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000736355259 600125042 /nfs/dbraw/zinc/12/50/42/600125042.db2.gz NQLULRQBHQCDPP-ZDUSSCGKSA-N -1 0 338.473 3.903 20 0 EHADRM CCC(CC)(NC(=O)NCCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000736895189 600126147 /nfs/dbraw/zinc/12/61/47/600126147.db2.gz YOLHBUJXTLDIHS-UHFFFAOYSA-N -1 0 340.851 3.909 20 0 EHADRM CC[C@@](NCc1nc2ccccc2s1)(C(=O)[O-])c1ccccc1 ZINC000736920865 600129442 /nfs/dbraw/zinc/12/94/42/600129442.db2.gz UFLSDAXMXSUHLL-SFHVURJKSA-N -1 0 326.421 3.776 20 0 EHADRM CC[C@@](NCc1csc(-c2ccoc2)n1)(C(=O)[O-])c1ccccc1 ZINC000736921069 600130678 /nfs/dbraw/zinc/13/06/78/600130678.db2.gz VKHKGUKHNWVDJW-SFHVURJKSA-N -1 0 342.420 3.883 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000738126894 600145257 /nfs/dbraw/zinc/14/52/57/600145257.db2.gz YTSUJERYTXYEJN-LBPRGKRZSA-N -1 0 345.370 3.740 20 0 EHADRM CC(=O)c1ccc(NC(=S)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000736192663 600149083 /nfs/dbraw/zinc/14/90/83/600149083.db2.gz MAGSVMZEGRSZIA-UHFFFAOYSA-N -1 0 342.420 3.715 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000738125607 600151058 /nfs/dbraw/zinc/15/10/58/600151058.db2.gz HIHHABHEHXEMST-ZDUSSCGKSA-N -1 0 343.379 3.959 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000236972501 600151260 /nfs/dbraw/zinc/15/12/60/600151260.db2.gz YJQMALNNVSJIOQ-FNYBSCSFSA-N -1 0 344.238 3.712 20 0 EHADRM Cc1ccc(CCCC(=O)NC[C@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000486368470 600156563 /nfs/dbraw/zinc/15/65/63/600156563.db2.gz GEWYBZINUBWCIN-IBGZPJMESA-N -1 0 339.435 3.611 20 0 EHADRM Cc1ccc([C@H](CNC(=O)c2cc3cc(C)ccc3o2)C(=O)[O-])cc1 ZINC000486379483 600164822 /nfs/dbraw/zinc/16/48/22/600164822.db2.gz RLWVXBRIQGUONN-INIZCTEOSA-N -1 0 337.375 3.648 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cc(F)c(Cl)nc1Cl)c1ccccc1 ZINC000740296655 600165034 /nfs/dbraw/zinc/16/50/34/600165034.db2.gz BAPNLKVCJCRXBT-JTQLQIEISA-N -1 0 344.125 3.510 20 0 EHADRM Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC000261983781 600168152 /nfs/dbraw/zinc/16/81/52/600168152.db2.gz WRRHRTYAHJRRRT-UHFFFAOYSA-N -1 0 345.370 3.973 20 0 EHADRM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc(C(=O)[O-])s1 ZINC000237509661 600169786 /nfs/dbraw/zinc/16/97/86/600169786.db2.gz MGFDANKZEGGRES-LBPRGKRZSA-N -1 0 329.421 3.887 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)Nc2ccc(OCC(=O)[O-])cc2)c1C ZINC000738692202 600180243 /nfs/dbraw/zinc/18/02/43/600180243.db2.gz QIVIKCQPOIBOKS-AWEZNQCLSA-N -1 0 342.395 3.650 20 0 EHADRM CCN(C(=O)Nc1ccc(C(=O)[O-])c(C)c1)[C@@H](C)c1cccnc1 ZINC000737059946 600183248 /nfs/dbraw/zinc/18/32/48/600183248.db2.gz KUFQHWVVIPIRST-ZDUSSCGKSA-N -1 0 327.384 3.703 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000236947110 600187362 /nfs/dbraw/zinc/18/73/62/600187362.db2.gz ZDMHQPCPVLVRII-LLVKDONJSA-N -1 0 342.351 3.598 20 0 EHADRM CCCCC[C@H](NC(=O)N1CCC(CC(=O)[O-])CC1)C(C)(C)C ZINC000736985736 600189791 /nfs/dbraw/zinc/18/97/91/600189791.db2.gz ZRDJLWLFWZIDBS-HNNXBMFYSA-N -1 0 326.481 3.878 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)[C@H](C)CSc2ccccc2)c1 ZINC000737939829 600190666 /nfs/dbraw/zinc/19/06/66/600190666.db2.gz LYFHREBRLZZODW-GFCCVEGCSA-N -1 0 346.404 3.727 20 0 EHADRM C/C(=C\C(=O)N[C@H](CC(=O)[O-])c1ccccc1)c1cccc(F)c1 ZINC000732269788 600191012 /nfs/dbraw/zinc/19/10/12/600191012.db2.gz YJCPINJQQLCMET-JIIJFUIFSA-N -1 0 327.355 3.561 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1C ZINC000738694170 600191394 /nfs/dbraw/zinc/19/13/94/600191394.db2.gz YIMMCZWKRZREQJ-CQSZACIVSA-N -1 0 338.407 3.788 20 0 EHADRM O=C([O-])[C@H]1CCCN1C(=O)c1cc(-c2ccccc2)ccc1Cl ZINC000238080171 600191985 /nfs/dbraw/zinc/19/19/85/600191985.db2.gz WAGRDDCZKRRRHS-MRXNPFEDSA-N -1 0 329.783 3.696 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000736619176 600192465 /nfs/dbraw/zinc/19/24/65/600192465.db2.gz WEUMTRSMOKSEIP-LLVKDONJSA-N -1 0 333.384 3.891 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000354179156 600194199 /nfs/dbraw/zinc/19/41/99/600194199.db2.gz MYQYXXWGCMTUSS-MRXNPFEDSA-N -1 0 345.420 3.659 20 0 EHADRM C/C(=C\C(=O)Nc1ccc(OCC(=O)[O-])cc1C)c1cccc(F)c1 ZINC000736119592 600195027 /nfs/dbraw/zinc/19/50/27/600195027.db2.gz AJRAGJMNHCLVEH-FMIVXFBMSA-N -1 0 343.354 3.640 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)c(F)c1 ZINC000739337757 600200886 /nfs/dbraw/zinc/20/08/86/600200886.db2.gz FAKYSEOMDSULCC-UHFFFAOYSA-N -1 0 346.745 3.840 20 0 EHADRM C[C@@H](CC(=O)N1CCCc2c(C(=O)[O-])cccc21)c1cccc(F)c1 ZINC000736544680 600206079 /nfs/dbraw/zinc/20/60/79/600206079.db2.gz IYFDFFAKJQMMHE-ZDUSSCGKSA-N -1 0 341.382 3.997 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)ccc1F ZINC000740081477 600206580 /nfs/dbraw/zinc/20/65/80/600206580.db2.gz PEDFTFLQJFBKQX-VHSXEESVSA-N -1 0 335.281 3.544 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000262586640 600207617 /nfs/dbraw/zinc/20/76/17/600207617.db2.gz GSXPGSMEAMSICC-RDTXWAMCSA-N -1 0 343.398 3.960 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(Cl)cc2)c(OC(F)F)c1 ZINC000740156255 600212514 /nfs/dbraw/zinc/21/25/14/600212514.db2.gz KZYVVAKDSLBUHP-UHFFFAOYSA-N -1 0 341.697 3.892 20 0 EHADRM CN(Cc1coc(-c2cccc(F)c2)n1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737496297 600216208 /nfs/dbraw/zinc/21/62/08/600216208.db2.gz DZUFTOLPWBVGED-QGZVFWFLSA-N -1 0 340.354 3.738 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000192946896 600217309 /nfs/dbraw/zinc/21/73/09/600217309.db2.gz CMYFJEWMNASJED-CJNGLKHVSA-N -1 0 341.432 3.523 20 0 EHADRM Cc1ccc([C@H]2CCCN2[C@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)o1 ZINC000738581916 600218824 /nfs/dbraw/zinc/21/88/24/600218824.db2.gz GSPDQTULBWYKLG-ZIAGYGMSSA-N -1 0 344.411 3.639 20 0 EHADRM Cc1ccc2c(CC(=O)N3C[C@H](C(=O)[O-])c4ccccc43)coc2c1C ZINC000192947988 600222941 /nfs/dbraw/zinc/22/29/41/600222941.db2.gz GTNPDYSXBAPSNE-KRWDZBQOSA-N -1 0 349.386 3.807 20 0 EHADRM CCOC(=O)c1ccc(NC(=O)Nc2cccc(NC(=O)[O-])c2)cc1 ZINC000737155521 600227677 /nfs/dbraw/zinc/22/76/77/600227677.db2.gz RTFRMHPRHKUDPG-UHFFFAOYSA-N -1 0 343.339 3.597 20 0 EHADRM COCc1cccc(NC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)c1 ZINC000737834458 600230977 /nfs/dbraw/zinc/23/09/77/600230977.db2.gz FNZHPSLOLJVNQR-UHFFFAOYSA-N -1 0 329.356 3.591 20 0 EHADRM CC(C)(C)[C@H]1CCCN(C(=O)Nc2ccc(CC(=O)[O-])cc2)CC1 ZINC000324720700 600240587 /nfs/dbraw/zinc/24/05/87/600240587.db2.gz YEMDSCXEILCFTA-HNNXBMFYSA-N -1 0 332.444 3.994 20 0 EHADRM O=C([O-])c1ccc(-c2noc(-c3cc(-c4cccs4)[nH]n3)n2)cc1 ZINC000740099394 600246407 /nfs/dbraw/zinc/24/64/07/600246407.db2.gz ICEPOEQZAROYLN-UHFFFAOYSA-N -1 0 338.348 3.553 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000738084958 600248533 /nfs/dbraw/zinc/24/85/33/600248533.db2.gz KAQAGUZQLVNLEH-KGLIPLIRSA-N -1 0 346.766 3.756 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2ccccc2)c2ccccc2)nc1 ZINC000237972297 600248647 /nfs/dbraw/zinc/24/86/47/600248647.db2.gz BQGLNIUAYIKJHO-UHFFFAOYSA-N -1 0 332.359 3.627 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)/C=C\Sc1ccccc1 ZINC000738086461 600250275 /nfs/dbraw/zinc/25/02/75/600250275.db2.gz XJEPMOZPWRGVBA-KHPPLWFESA-N -1 0 330.361 3.605 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)c(C(=O)[O-])[nH]1 ZINC000738421946 600252700 /nfs/dbraw/zinc/25/27/00/600252700.db2.gz ILBAHHKOXLQRPN-JKSUJKDBSA-N -1 0 334.375 3.917 20 0 EHADRM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000237356161 600253674 /nfs/dbraw/zinc/25/36/74/600253674.db2.gz MNUXFUAKXMCEDR-WBMJQRKESA-N -1 0 327.355 3.542 20 0 EHADRM Cc1cc(NC(=O)c2cc(-c3ccccc3Cl)on2)c(C(=O)[O-])[nH]1 ZINC000738444709 600253716 /nfs/dbraw/zinc/25/37/16/600253716.db2.gz UYIJQZSBSWCJRM-UHFFFAOYSA-N -1 0 345.742 3.582 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC000326896242 600254363 /nfs/dbraw/zinc/25/43/63/600254363.db2.gz HVCOFTPLQQILKH-ZYSHUDEJSA-N -1 0 339.435 3.628 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(C(=O)[C@H]1C[C@H]1c1ccc3ccccc3c1)CC2 ZINC000262040213 600264966 /nfs/dbraw/zinc/26/49/66/600264966.db2.gz AGFUJRFCEZDOOU-FHWLQOOXSA-N -1 0 349.430 3.657 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NC(C)(C)c1cccc(F)c1 ZINC000738532815 600267251 /nfs/dbraw/zinc/26/72/51/600267251.db2.gz LKAUCIDMYLYHOR-UHFFFAOYSA-N -1 0 330.359 3.889 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)OCCCc1cccc2ccccc21 ZINC000736381229 600269811 /nfs/dbraw/zinc/26/98/11/600269811.db2.gz VAOQQBRFYSGQEW-KRWDZBQOSA-N -1 0 329.396 3.608 20 0 EHADRM CC(C)(NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1cccc(F)c1 ZINC000736325013 600276031 /nfs/dbraw/zinc/27/60/31/600276031.db2.gz UMPONYQEIFKFQG-UHFFFAOYSA-N -1 0 334.322 3.720 20 0 EHADRM O=C([O-])c1ccc2nc(SCC(=O)c3cc(F)ccc3F)oc2c1 ZINC000740212199 600278729 /nfs/dbraw/zinc/27/87/29/600278729.db2.gz FAXCPOJGXUQMOZ-UHFFFAOYSA-N -1 0 349.314 3.779 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(C(=O)N(CC(=O)[O-])C(C)C)cc1F ZINC000362341802 600280820 /nfs/dbraw/zinc/28/08/20/600280820.db2.gz YAHOYMGWQZIZOR-UHFFFAOYSA-N -1 0 347.361 3.875 20 0 EHADRM O=C([O-])CCc1nc(COc2ccc3oc4ccccc4c3c2)no1 ZINC000739776062 600281751 /nfs/dbraw/zinc/28/17/51/600281751.db2.gz YVFWUQALEBGFTM-UHFFFAOYSA-N -1 0 338.319 3.565 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)/C=C\Sc2ccccc2)cc1 ZINC000739987254 600290062 /nfs/dbraw/zinc/29/00/62/600290062.db2.gz XPVWZTHZBKZCAL-KHPPLWFESA-N -1 0 328.393 3.699 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000738263267 600294168 /nfs/dbraw/zinc/29/41/68/600294168.db2.gz VGEJESRSCINVSW-UHFFFAOYSA-N -1 0 342.326 3.900 20 0 EHADRM CCOc1ccc(-c2nc(CN(C)C(C)(C)C(=O)[O-])cs2)cc1 ZINC000737193303 600306580 /nfs/dbraw/zinc/30/65/80/600306580.db2.gz GCDZWAQCRIECJC-UHFFFAOYSA-N -1 0 334.441 3.504 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)c2c[nH]cc2-c2ccccc2)cc1 ZINC000739992281 600311183 /nfs/dbraw/zinc/31/11/83/600311183.db2.gz SIWQZQDNESULAW-UHFFFAOYSA-N -1 0 335.363 3.702 20 0 EHADRM Cc1nc(Nc2ccc(CN(C)C(=O)[O-])cc2)cc(-c2cccnc2)n1 ZINC000738865426 600313409 /nfs/dbraw/zinc/31/34/09/600313409.db2.gz MWLBSSQMICNBJK-UHFFFAOYSA-N -1 0 349.394 3.700 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CN1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000566362219 600320424 /nfs/dbraw/zinc/32/04/24/600320424.db2.gz QZSVIAKAXOHXDP-UHFFFAOYSA-N -1 0 345.239 3.603 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccccc1Cl)c1cccc(Cl)c1 ZINC000740299668 600321940 /nfs/dbraw/zinc/32/19/40/600321940.db2.gz PHFCKQXJXZVTSC-ZDUSSCGKSA-N -1 0 325.147 3.976 20 0 EHADRM O=C([O-])[C@H](OC(=O)CCc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000739261583 600322641 /nfs/dbraw/zinc/32/26/41/600322641.db2.gz VIBIHQMLHFTLHT-MRXNPFEDSA-N -1 0 336.746 3.781 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cc(F)cc(F)c1)c1cccc(Cl)c1 ZINC000740290901 600323731 /nfs/dbraw/zinc/32/37/31/600323731.db2.gz KFZIXLFKIIGOKH-ZDUSSCGKSA-N -1 0 326.682 3.601 20 0 EHADRM Nc1ccc(Cl)c(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000739203057 600327564 /nfs/dbraw/zinc/32/75/64/600327564.db2.gz MVEHZIHJPZCSLO-CYBMUJFWSA-N -1 0 340.162 3.558 20 0 EHADRM COc1cccc([C@H](C)C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000738088871 600327719 /nfs/dbraw/zinc/32/77/19/600327719.db2.gz AUSORWLRHFSBDW-ZBEGNZNMSA-N -1 0 348.782 3.821 20 0 EHADRM O=C([O-])[C@@H](OC(=O)Cn1ccc2ccccc21)c1cccc(Cl)c1 ZINC000739357113 600328008 /nfs/dbraw/zinc/32/80/08/600328008.db2.gz WBRBCFOMUXLLNN-KRWDZBQOSA-N -1 0 343.766 3.664 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1c[nH]c2cc(F)ccc21)c1cccc(Cl)c1 ZINC000740288476 600328128 /nfs/dbraw/zinc/32/81/28/600328128.db2.gz AUELZHOROMAKJK-HNNXBMFYSA-N -1 0 347.729 3.943 20 0 EHADRM CC1(C)CO[C@@H](c2ccccc2Cl)CN1Cc1ccc(C(=O)[O-])o1 ZINC000736736881 600335989 /nfs/dbraw/zinc/33/59/89/600335989.db2.gz HJNKBBOUNQRIHB-MRXNPFEDSA-N -1 0 349.814 3.983 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)Nc2ccc(CNC(=O)[O-])cc2)c1 ZINC000737731999 600338313 /nfs/dbraw/zinc/33/83/13/600338313.db2.gz ACRVGAMBLOSGSX-GFCCVEGCSA-N -1 0 343.383 3.806 20 0 EHADRM CS[C@H]1CCC[C@H](NC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)C1 ZINC000738140117 600338544 /nfs/dbraw/zinc/33/85/44/600338544.db2.gz SDTJGOQBAAESMN-JSGCOSHPSA-N -1 0 337.445 3.597 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)N2CCC[C@@]3(CC=CCC3)C2)cc1 ZINC000739987931 600354936 /nfs/dbraw/zinc/35/49/36/600354936.db2.gz HUKDWTRZHZNRRX-IBGZPJMESA-N -1 0 343.427 3.808 20 0 EHADRM O=C([O-])Nc1ccc(CCNc2ncnc3ccc(F)cc32)cc1 ZINC000740024660 600363732 /nfs/dbraw/zinc/36/37/32/600363732.db2.gz IXVJLSJYXCZSFP-UHFFFAOYSA-N -1 0 326.331 3.513 20 0 EHADRM Cc1cc(NC(=O)Cc2coc(-c3cccs3)n2)sc1C(=O)[O-] ZINC000738237754 600371663 /nfs/dbraw/zinc/37/16/63/600371663.db2.gz MRXHAHWHJLUJSP-UHFFFAOYSA-N -1 0 348.405 3.652 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)Nc1cc(C)c(C(=O)[O-])s1 ZINC000738126443 600371784 /nfs/dbraw/zinc/37/17/84/600371784.db2.gz TZDPSSFJZGZZPV-NSHDSACASA-N -1 0 347.436 3.971 20 0 EHADRM CCCc1nc(C)c(C(=O)N(c2ccccc2)[C@@H](CC)C(=O)[O-])s1 ZINC000737050378 600378946 /nfs/dbraw/zinc/37/89/46/600378946.db2.gz IIQYSVXJASVYFR-AWEZNQCLSA-N -1 0 346.452 3.914 20 0 EHADRM CC[C@](NC(=O)CC/C=C/c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000485381378 600378925 /nfs/dbraw/zinc/37/89/25/600378925.db2.gz JONKECBKEGINQF-XYJBSGBBSA-N -1 0 337.419 3.986 20 0 EHADRM CC[C@](NC(=O)[C@H](C)Cc1ccccc1F)(C(=O)[O-])c1ccccc1 ZINC000485388665 600379030 /nfs/dbraw/zinc/37/90/30/600379030.db2.gz WVZXKHIBZJTZRA-JLTOFOAXSA-N -1 0 343.398 3.511 20 0 EHADRM O=C([O-])[C@H](Sc1nnc(Cc2cccs2)o1)c1ccccc1 ZINC000738524528 600379284 /nfs/dbraw/zinc/37/92/84/600379284.db2.gz HQAWMCJOLIGIRT-CYBMUJFWSA-N -1 0 332.406 3.640 20 0 EHADRM CCC[C@](C)(NC(=O)c1ccc(OC2CCCCC2)cc1)C(=O)[O-] ZINC000736962089 600381966 /nfs/dbraw/zinc/38/19/66/600381966.db2.gz XQUZOJGLFYLPKL-IBGZPJMESA-N -1 0 333.428 3.771 20 0 EHADRM CC(C)c1ccc(C(=O)NCCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000736513218 600383098 /nfs/dbraw/zinc/38/30/98/600383098.db2.gz SHUXBCQECAUHOX-UHFFFAOYSA-N -1 0 326.396 3.872 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)/C=C/c1ccccc1F)c1ccccc1 ZINC000736846974 600385375 /nfs/dbraw/zinc/38/53/75/600385375.db2.gz JSBKIIZVJYIQNW-UJGDBWEASA-N -1 0 327.355 3.735 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@H]2CCCOc3ccccc32)ccc1F ZINC000739472327 600386131 /nfs/dbraw/zinc/38/61/31/600386131.db2.gz QOIHQWUUFPOMQG-HNNXBMFYSA-N -1 0 344.342 3.559 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CCC(c3ccccc3)CC2)ccc1F ZINC000740081113 600386199 /nfs/dbraw/zinc/38/61/99/600386199.db2.gz LOECOPQDIKHIOX-UHFFFAOYSA-N -1 0 342.370 3.935 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@H]1C[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000736850900 600387717 /nfs/dbraw/zinc/38/77/17/600387717.db2.gz YFONIUPESKGNCE-OKZBNKHCSA-N -1 0 341.382 3.826 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)COc1cc(C)cc(C)c1)c1ccccc1 ZINC000736851339 600389314 /nfs/dbraw/zinc/38/93/14/600389314.db2.gz HDOGXLFGXFTORS-GOSISDBHSA-N -1 0 341.407 3.579 20 0 EHADRM CC[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1F ZINC000236895052 600389371 /nfs/dbraw/zinc/38/93/71/600389371.db2.gz IJVGSTUIBXYHFV-QGZVFWFLSA-N -1 0 347.361 3.863 20 0 EHADRM Cc1cccc(-c2ccc(CNC(=O)CCCN(C)C(=O)[O-])cc2)c1 ZINC000738680452 600390972 /nfs/dbraw/zinc/39/09/72/600390972.db2.gz JAYFPANRNRZYQE-UHFFFAOYSA-N -1 0 340.423 3.668 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1ccc(OC2CCCCC2)cc1 ZINC000238163066 600392273 /nfs/dbraw/zinc/39/22/73/600392273.db2.gz AJZYUHIYTJJXFC-UHFFFAOYSA-N -1 0 333.428 3.773 20 0 EHADRM C[C@@H](CN(C)C(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000736569438 600396918 /nfs/dbraw/zinc/39/69/18/600396918.db2.gz QJNJNMDCBGZGTM-LBPRGKRZSA-N -1 0 330.359 3.791 20 0 EHADRM C[C@H](CC(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC000675986491 600400086 /nfs/dbraw/zinc/40/00/86/600400086.db2.gz JNDCOUSSAFYGOM-YGRLFVJLSA-N -1 0 345.361 3.815 20 0 EHADRM CCC[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccccn1 ZINC000736974335 600401845 /nfs/dbraw/zinc/40/18/45/600401845.db2.gz QENXNCIRUNBSJJ-HNNXBMFYSA-N -1 0 331.347 3.582 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CC[C@H](c3ccccc3)C2)c(F)c1 ZINC000325048317 600403031 /nfs/dbraw/zinc/40/30/31/600403031.db2.gz RZBIGHBDJBBBJU-AWEZNQCLSA-N -1 0 328.343 3.545 20 0 EHADRM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC000348437521 600415367 /nfs/dbraw/zinc/41/53/67/600415367.db2.gz NMARQCWZUSFAFH-KDOFPFPSSA-N -1 0 338.407 3.702 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)CCC(=O)c1ccc2ccccc2c1 ZINC000427980215 600417729 /nfs/dbraw/zinc/41/77/29/600417729.db2.gz SFEOJJAJFIAXJD-UHFFFAOYSA-N -1 0 341.407 3.562 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000236838137 600417772 /nfs/dbraw/zinc/41/77/72/600417772.db2.gz DNNRAZCVOSALTD-NEPJUHHUSA-N -1 0 344.238 3.857 20 0 EHADRM C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NC(C)(C)CCC(=O)[O-] ZINC000237592321 600418368 /nfs/dbraw/zinc/41/83/68/600418368.db2.gz AMTFXJHBIQKOBY-VIFPVBQESA-N -1 0 348.226 3.520 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000537402299 600418513 /nfs/dbraw/zinc/41/85/13/600418513.db2.gz FGRSWZXESTXYQA-UHFFFAOYSA-N -1 0 342.439 3.810 20 0 EHADRM O=C([O-])[C@H](Nc1cccc(N2CCOC2=O)c1)c1cccc(Cl)c1 ZINC000739510857 600422294 /nfs/dbraw/zinc/42/22/94/600422294.db2.gz AGNRMGAOSGXTGM-OAHLLOKOSA-N -1 0 346.770 3.534 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C[C@@H]1CCc2ccccc2C1 ZINC000262959445 600426245 /nfs/dbraw/zinc/42/62/45/600426245.db2.gz JXYJWFVTKJSCOT-MRXNPFEDSA-N -1 0 337.419 3.538 20 0 EHADRM O=C([O-])[C@H](Nc1ccc(OCc2ccccc2)nc1)c1ccccc1 ZINC000739512008 600426493 /nfs/dbraw/zinc/42/64/93/600426493.db2.gz LHBCORGEKWIRGI-LJQANCHMSA-N -1 0 334.375 3.898 20 0 EHADRM C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4cc(C(=O)[O-])ccn4)cc3c2C1 ZINC000736800509 600426833 /nfs/dbraw/zinc/42/68/33/600426833.db2.gz DSOVBSLQUOVZQO-LLVKDONJSA-N -1 0 349.390 3.638 20 0 EHADRM COc1ccc(N[C@H](C(=O)[O-])c2ccccc2)cc1Br ZINC000234954016 600436436 /nfs/dbraw/zinc/43/64/36/600436436.db2.gz YSLIZJLHFQXELX-AWEZNQCLSA-N -1 0 336.185 3.696 20 0 EHADRM CCS[C@@H]1CCCCN(C(=O)Nc2cccc(C(=O)[O-])c2C)C1 ZINC000737228958 600437020 /nfs/dbraw/zinc/43/70/20/600437020.db2.gz IGUUMWQMJIVNQU-CYBMUJFWSA-N -1 0 336.457 3.833 20 0 EHADRM CC(C)(C)c1nc(COc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cs1 ZINC000324172841 600441117 /nfs/dbraw/zinc/44/11/17/600441117.db2.gz FUTPMXREBAUNGI-UHFFFAOYSA-N -1 0 336.369 3.626 20 0 EHADRM COc1ccc(Cl)cc1COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000324517142 600441753 /nfs/dbraw/zinc/44/17/53/600441753.db2.gz PDIDANADIRGTMD-UHFFFAOYSA-N -1 0 337.715 3.534 20 0 EHADRM CSCCCNC(=S)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000738147384 600445968 /nfs/dbraw/zinc/44/59/68/600445968.db2.gz WGTQJFXNNVOKBX-UHFFFAOYSA-N -1 0 346.543 3.783 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cc(Cl)ccc1F)c1ccc(F)cc1 ZINC000740288542 600446748 /nfs/dbraw/zinc/44/67/48/600446748.db2.gz BVFZFXLELFKARL-ZDUSSCGKSA-N -1 0 326.682 3.601 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC000178069069 600447280 /nfs/dbraw/zinc/44/72/80/600447280.db2.gz NPJOZIRYOUEXJW-UHFFFAOYSA-N -1 0 349.333 3.692 20 0 EHADRM O=C([O-])[C@@H](OC(=O)[C@H]1CCCc2ccccc21)c1ccc(F)cc1 ZINC000740290485 600449682 /nfs/dbraw/zinc/44/96/82/600449682.db2.gz TVRFEHDWYNSTAX-IRXDYDNUSA-N -1 0 328.339 3.615 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccc2cc(O)ccc2c1)c1ccc(F)cc1 ZINC000740292969 600449795 /nfs/dbraw/zinc/44/97/95/600449795.db2.gz SQEWUXMZWQSNOX-KRWDZBQOSA-N -1 0 340.306 3.667 20 0 EHADRM CC(C)c1cccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)c1N ZINC000736521723 600452618 /nfs/dbraw/zinc/45/26/18/600452618.db2.gz SRHWXYRXRKZNDO-MRXNPFEDSA-N -1 0 331.343 3.514 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000740024570 600454786 /nfs/dbraw/zinc/45/47/86/600454786.db2.gz ZMYCVKAWXCZRIT-UHFFFAOYSA-N -1 0 333.775 3.794 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccccc1OCC1CC1)c1ccc(F)cc1 ZINC000740289103 600455026 /nfs/dbraw/zinc/45/50/26/600455026.db2.gz DERYFLGNFCCALL-KRWDZBQOSA-N -1 0 344.338 3.597 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738118446 600455940 /nfs/dbraw/zinc/45/59/40/600455940.db2.gz BHLBOFCRASACND-KZULUSFZSA-N -1 0 346.354 3.697 20 0 EHADRM O=C([O-])[C@H](OC(=O)C[C@H]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000739223010 600456738 /nfs/dbraw/zinc/45/67/38/600456738.db2.gz MSNFIVUIAKUWOX-ORAYPTAESA-N -1 0 342.366 3.690 20 0 EHADRM CC[C@@H](NC(=O)N1CCC(CC(=O)[O-])CC1)c1ccc(Cl)s1 ZINC000736914341 600457402 /nfs/dbraw/zinc/45/74/02/600457402.db2.gz QLGXETYPNPXVFB-LLVKDONJSA-N -1 0 344.864 3.749 20 0 EHADRM Cc1cc(COC(=O)/C=C/c2ccnc3ccccc23)oc1C(=O)[O-] ZINC000738393742 600457561 /nfs/dbraw/zinc/45/75/61/600457561.db2.gz XUQQTBXZRJTXRV-VOTSOKGWSA-N -1 0 337.331 3.591 20 0 EHADRM CCc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(CC(=O)[O-])cc2)o1 ZINC000737258284 600462960 /nfs/dbraw/zinc/46/29/60/600462960.db2.gz ANHCZKMGMQXQLJ-INIZCTEOSA-N -1 0 342.395 3.838 20 0 EHADRM CC[C@H](CC(=O)OCC(=O)c1cc(C(=O)[O-])co1)c1ccc(C)cc1 ZINC000736892487 600466675 /nfs/dbraw/zinc/46/66/75/600466675.db2.gz QPDFNKLMBBBTKI-CYBMUJFWSA-N -1 0 344.363 3.596 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736625882 600467583 /nfs/dbraw/zinc/46/75/83/600467583.db2.gz IYIURSBDZICYHG-ZBEGNZNMSA-N -1 0 334.318 3.513 20 0 EHADRM CCN(CC1CC1)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000737095196 600469348 /nfs/dbraw/zinc/46/93/48/600469348.db2.gz ZXTPMPWYCCLCRV-UHFFFAOYSA-N -1 0 336.457 3.658 20 0 EHADRM C[C@@H](OC(=O)c1coc(-c2ccccc2)n1)c1ccc(C(=O)[O-])o1 ZINC000736696801 600469543 /nfs/dbraw/zinc/46/95/43/600469543.db2.gz NVBLTQDHQRKPSE-SNVBAGLBSA-N -1 0 327.292 3.551 20 0 EHADRM O=C([O-])c1ccc(CS[C@@H]2CCN(c3ccccc3F)C2=O)cc1 ZINC000740136064 600473385 /nfs/dbraw/zinc/47/33/85/600473385.db2.gz OVMBADFTPZHGMW-MRXNPFEDSA-N -1 0 345.395 3.563 20 0 EHADRM CCCCOCC(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C1CC1 ZINC000736999635 600474540 /nfs/dbraw/zinc/47/45/40/600474540.db2.gz UHZWYLDBFFYWBE-UHFFFAOYSA-N -1 0 345.395 3.705 20 0 EHADRM CCCCN(CC)c1ccc(C(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000736993513 600476319 /nfs/dbraw/zinc/47/63/19/600476319.db2.gz HHLKXFKJLUSKNK-UHFFFAOYSA-N -1 0 344.411 3.534 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c(Cl)c1 ZINC000737931474 600479468 /nfs/dbraw/zinc/47/94/68/600479468.db2.gz WFTINARHFMNVKS-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)C2(Sc3ccccc3)CCCC2)o1 ZINC000262171108 600479954 /nfs/dbraw/zinc/47/99/54/600479954.db2.gz QMLUHCQDUDXHEO-UHFFFAOYSA-N -1 0 345.420 3.699 20 0 EHADRM Cc1cc(NC(=O)N2CCc3cccc(F)c3[C@H]2C)ccc1C(=O)[O-] ZINC000738436564 600481292 /nfs/dbraw/zinc/48/12/92/600481292.db2.gz BGRYGTJOYURVRR-GFCCVEGCSA-N -1 0 342.370 3.984 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccc(C(C)(C)C)cc1 ZINC000263143236 600490093 /nfs/dbraw/zinc/49/00/93/600490093.db2.gz ZZPOKSNDIOMMFS-HIFRSBDPSA-N -1 0 332.444 3.551 20 0 EHADRM Cc1ccc(NC(=O)CCc2ccc(C(=O)[O-])cc2)cc1OC(F)F ZINC000237611108 600492676 /nfs/dbraw/zinc/49/26/76/600492676.db2.gz DCYSHTNRTFAEJS-UHFFFAOYSA-N -1 0 349.333 3.866 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(CCC(=O)[O-])cc1)C(=O)c1ccccc1 ZINC000736549191 600493000 /nfs/dbraw/zinc/49/30/00/600493000.db2.gz TUZSPHCULQYUKB-AWEZNQCLSA-N -1 0 339.391 3.551 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1cccc(Cl)c1Cl ZINC000263230033 600497237 /nfs/dbraw/zinc/49/72/37/600497237.db2.gz MGXGWCFPELKNAN-NXEZZACHSA-N -1 0 345.226 3.561 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@@H]1CSc2ccccc21)c1cccc(Cl)c1 ZINC000740288421 600505457 /nfs/dbraw/zinc/50/54/57/600505457.db2.gz AAIGSKCKQVWMTF-UKRRQHHQSA-N -1 0 348.807 3.898 20 0 EHADRM CC(C)N(Cc1ccccn1)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000736471651 600511028 /nfs/dbraw/zinc/51/10/28/600511028.db2.gz JZRDIPWUJMCSSQ-UHFFFAOYSA-N -1 0 347.802 3.876 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCC[C@H]2c2cccnc2)cc1Cl ZINC000740146716 600515760 /nfs/dbraw/zinc/51/57/60/600515760.db2.gz FZVOMTFJRLMRNZ-HNNXBMFYSA-N -1 0 345.786 3.802 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1sc2ccccc2c1Cl)C(=O)[O-] ZINC000035390027 600522175 /nfs/dbraw/zinc/52/21/75/600522175.db2.gz YMTKCZXBKCCQOB-LBPRGKRZSA-N -1 0 325.817 3.784 20 0 EHADRM CC[C@H](c1ccncc1)N(CC)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000736929928 600530769 /nfs/dbraw/zinc/53/07/69/600530769.db2.gz RGIQTHVOWOYLMK-GOSISDBHSA-N -1 0 340.423 3.712 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1cccc(OCc2cccs2)c1)C(=O)[O-] ZINC000675984580 600531530 /nfs/dbraw/zinc/53/15/30/600531530.db2.gz GFYCMRGWRNSNNP-OAHLLOKOSA-N -1 0 347.436 3.556 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)Nc2cc(Cl)cc(Cl)c2)o1 ZINC000094555623 600538735 /nfs/dbraw/zinc/53/87/35/600538735.db2.gz RPTWENFFDARJDS-UHFFFAOYSA-N -1 0 329.139 3.606 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000740213955 600539048 /nfs/dbraw/zinc/53/90/48/600539048.db2.gz ADAOSGTWSKNCIA-MRXNPFEDSA-N -1 0 331.318 3.640 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)NCc1ccc(C(=O)[O-])o1 ZINC000737947999 600539623 /nfs/dbraw/zinc/53/96/23/600539623.db2.gz NZWJSTUKKBNLNQ-UHFFFAOYSA-N -1 0 346.383 3.606 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)o1 ZINC000739437933 600540050 /nfs/dbraw/zinc/54/00/50/600540050.db2.gz PGILHCXAKYPHMN-UHFFFAOYSA-N -1 0 348.358 3.871 20 0 EHADRM C[C@]1(NC(=O)NCCCCCCC(=O)[O-])CCCc2ccccc21 ZINC000736738904 600544783 /nfs/dbraw/zinc/54/47/83/600544783.db2.gz UAAZOBLVOVQOEX-IBGZPJMESA-N -1 0 332.444 3.572 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000736928429 600552913 /nfs/dbraw/zinc/55/29/13/600552913.db2.gz IXHVJAATJJCFJK-AWEZNQCLSA-N -1 0 325.792 3.715 20 0 EHADRM C[C@H]1CCCC[C@H]1OCC(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000736782224 600552992 /nfs/dbraw/zinc/55/29/92/600552992.db2.gz BXJMFLIXJRZLKI-IINYFYTJSA-N -1 0 325.792 3.572 20 0 EHADRM CC(C)[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000236653815 600553569 /nfs/dbraw/zinc/55/35/69/600553569.db2.gz IXLZVLAPZOGZKG-MFKMUULPSA-N -1 0 347.333 3.509 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)CCc1ccc(-c2ccccc2F)o1 ZINC000236730873 600562885 /nfs/dbraw/zinc/56/28/85/600562885.db2.gz DGCBKTGBCWRNSS-UHFFFAOYSA-N -1 0 347.386 3.730 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)C2(c3cccc(F)c3)CC2)ccc1F ZINC000740004947 600572592 /nfs/dbraw/zinc/57/25/92/600572592.db2.gz BWYZHELIGFTKOI-UHFFFAOYSA-N -1 0 332.306 3.725 20 0 EHADRM CC(C)(CCNC(=O)c1ccccc1NC(=O)[O-])c1ccccc1 ZINC000736320179 600574181 /nfs/dbraw/zinc/57/41/81/600574181.db2.gz JQNCCRUXKIYUOF-UHFFFAOYSA-N -1 0 326.396 3.874 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000191600123 600579735 /nfs/dbraw/zinc/57/97/35/600579735.db2.gz HUDIPJQUPMEHGU-KXBFYZLASA-N -1 0 337.419 3.722 20 0 EHADRM COc1cc(Br)c(CS[C@@H](C)CC(=O)[O-])cc1OC ZINC000737846423 600582390 /nfs/dbraw/zinc/58/23/90/600582390.db2.gz YYNIUYKKRJWAFW-QMMMGPOBSA-N -1 0 349.246 3.563 20 0 EHADRM CC(C)[C@@H](S[C@@H](C)CC(=O)[O-])C(=O)N1CCCc2ccccc21 ZINC000736549048 600583550 /nfs/dbraw/zinc/58/35/50/600583550.db2.gz GZLGWMWCFZPMBH-SUMWQHHRSA-N -1 0 335.469 3.587 20 0 EHADRM Cc1cc(C(=O)CS[C@H](C)CC(=O)[O-])c(C)n1CCC(C)C ZINC000738318823 600588131 /nfs/dbraw/zinc/58/81/31/600588131.db2.gz FGVKTETWRQUNCF-CYBMUJFWSA-N -1 0 325.474 3.930 20 0 EHADRM Cc1cccc([C@H](C)OC(=O)Cn2cc(C(=O)[O-])c3ccccc32)c1 ZINC000738690372 600589431 /nfs/dbraw/zinc/58/94/31/600589431.db2.gz IKYSSPRLZMQSGR-AWEZNQCLSA-N -1 0 337.375 3.952 20 0 EHADRM C[C@@H](CC(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1)c1cccc(F)c1 ZINC000736544669 600590208 /nfs/dbraw/zinc/59/02/08/600590208.db2.gz IHVOVMJHEVEDMX-SCLBCKFNSA-N -1 0 329.371 3.604 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)NCCCc1c[nH]c2ccccc12 ZINC000740046250 600590433 /nfs/dbraw/zinc/59/04/33/600590433.db2.gz NRMXWVSPLGRLKH-UHFFFAOYSA-N -1 0 337.379 3.620 20 0 EHADRM CN(C(=O)/C=C/c1ccc(Cl)cc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737314280 600592378 /nfs/dbraw/zinc/59/23/78/600592378.db2.gz QDDSSILBGANSPR-XLNAKTSKSA-N -1 0 329.783 3.638 20 0 EHADRM CN(C(=O)CCSc1ccc(F)cc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737318463 600592476 /nfs/dbraw/zinc/59/24/76/600592476.db2.gz DUOAAVPXFSDHON-KRWDZBQOSA-N -1 0 347.411 3.592 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000738253885 600593828 /nfs/dbraw/zinc/59/38/28/600593828.db2.gz SOHJHOPVZKDDQU-MRXNPFEDSA-N -1 0 337.375 3.948 20 0 EHADRM C[C@@H](CN(C)C(=O)/C(=C/c1ccc(F)cc1)c1cccs1)C(=O)[O-] ZINC000736570890 600595342 /nfs/dbraw/zinc/59/53/42/600595342.db2.gz FQPPBUBRJJJFHC-XBUHWIKASA-N -1 0 347.411 3.607 20 0 EHADRM Cc1ccc(SCC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)c(C)c1 ZINC000738659694 600595979 /nfs/dbraw/zinc/59/59/79/600595979.db2.gz BQSCRVBMCGDQPO-SFHVURJKSA-N -1 0 343.448 3.680 20 0 EHADRM CC(C)COc1cccc(C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000736448812 600598697 /nfs/dbraw/zinc/59/86/97/600598697.db2.gz TUXQNPLKGUNIPC-GOSISDBHSA-N -1 0 341.407 3.619 20 0 EHADRM CCCCCC(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000486387081 600599275 /nfs/dbraw/zinc/59/92/75/600599275.db2.gz IAEVFXXTLCIIFL-KRWDZBQOSA-N -1 0 327.424 3.780 20 0 EHADRM C[C@@H](CC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1)c1ccccc1F ZINC000736544746 600601468 /nfs/dbraw/zinc/60/14/68/600601468.db2.gz KVNRLFZVXOBZTC-UGSOOPFHSA-N -1 0 329.371 3.604 20 0 EHADRM O=C(C=C1CCCC1)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000739208786 600603262 /nfs/dbraw/zinc/60/32/62/600603262.db2.gz ICSLLTPIBXGEMV-LJQANCHMSA-N -1 0 337.419 3.700 20 0 EHADRM O=C([O-])CN(C(=O)CCCOc1ccccc1Cl)c1ccccc1 ZINC000337764943 600603771 /nfs/dbraw/zinc/60/37/71/600603771.db2.gz YVMDOAYWXWRFCG-UHFFFAOYSA-N -1 0 347.798 3.617 20 0 EHADRM C[C@H](CSCC(=O)Nc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000736612773 600606277 /nfs/dbraw/zinc/60/62/77/600606277.db2.gz DZAYJNDSMZFZFL-CYBMUJFWSA-N -1 0 329.421 3.746 20 0 EHADRM CC(C)N(CCC(=O)[O-])Cn1c2cc(Cl)ccc2n(C)c1=S ZINC000736467717 600609486 /nfs/dbraw/zinc/60/94/86/600609486.db2.gz DGPNIGRBSVZAHR-UHFFFAOYSA-N -1 0 341.864 3.505 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1coc2ccccc21 ZINC000737876515 600616726 /nfs/dbraw/zinc/61/67/26/600616726.db2.gz AWEGZDFZEXYWII-VQHVLOKHSA-N -1 0 338.315 3.758 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2cc(Cl)nc(Cl)c2)c1 ZINC000236478708 600620624 /nfs/dbraw/zinc/62/06/24/600620624.db2.gz GCHMDWPPPGNLIA-UHFFFAOYSA-N -1 0 345.569 3.992 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000736628095 600620925 /nfs/dbraw/zinc/62/09/25/600620925.db2.gz UUVKGUQILKXURQ-JTQLQIEISA-N -1 0 335.762 3.995 20 0 EHADRM COc1ccc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c(Cl)c1 ZINC000737929867 600622613 /nfs/dbraw/zinc/62/26/13/600622613.db2.gz JDRCRFGRMXHLLK-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)CCSCC(=O)[O-] ZINC000736392964 600622957 /nfs/dbraw/zinc/62/29/57/600622957.db2.gz XOYOTQZBWQPDSX-INIZCTEOSA-N -1 0 343.876 3.703 20 0 EHADRM C[C@@H]1CC(NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C[C@@H](C)C1 ZINC000321055650 600623561 /nfs/dbraw/zinc/62/35/61/600623561.db2.gz YGWOBZQARMZGGW-IUCAKERBSA-N -1 0 326.343 3.609 20 0 EHADRM CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000736929980 600625392 /nfs/dbraw/zinc/62/53/92/600625392.db2.gz SCEMFMLTCOASBL-QGZVFWFLSA-N -1 0 341.411 3.714 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1ccc(N(C)C(=O)[O-])cc1)c1nccs1 ZINC000736862043 600625528 /nfs/dbraw/zinc/62/55/28/600625528.db2.gz WAYYJHGSEQDYPH-MRXNPFEDSA-N -1 0 348.428 3.704 20 0 EHADRM Cc1cc(OCC(=O)Nc2ccc(F)cc2Cl)c(C(=O)[O-])s1 ZINC000315868786 600638671 /nfs/dbraw/zinc/63/86/71/600638671.db2.gz YQOUTNUKQPXGGN-UHFFFAOYSA-N -1 0 343.763 3.565 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1cc2c(cccc2Cl)s1)C(=O)[O-] ZINC000736244174 600642148 /nfs/dbraw/zinc/64/21/48/600642148.db2.gz SGHYYXPMWZDDNL-GFCCVEGCSA-N -1 0 325.817 3.784 20 0 EHADRM CC[C@H](C)c1ccccc1OS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000736893157 600645703 /nfs/dbraw/zinc/64/57/03/600645703.db2.gz YVAMMZLQEUETPA-ZDUSSCGKSA-N -1 0 348.420 3.595 20 0 EHADRM CCN(C(=O)COc1ccccc1C(C)C)c1ccccc1C(=O)[O-] ZINC000737059818 600647034 /nfs/dbraw/zinc/64/70/34/600647034.db2.gz CPARGAPENQXCHR-UHFFFAOYSA-N -1 0 341.407 3.940 20 0 EHADRM CCN(C(=O)c1csc(C(C)(C)C)n1)c1ccccc1C(=O)[O-] ZINC000737061703 600647201 /nfs/dbraw/zinc/64/72/01/600647201.db2.gz GSQZXKFVMMAIIC-UHFFFAOYSA-N -1 0 332.425 3.806 20 0 EHADRM Cc1cc(OS(=O)(=O)c2ccc(C(C)C)cc2)c(C(=O)[O-])s1 ZINC000738475337 600652080 /nfs/dbraw/zinc/65/20/80/600652080.db2.gz XNUWGQWYILZGNK-UHFFFAOYSA-N -1 0 340.422 3.646 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccc2[nH]ccc2c1 ZINC000738524173 600652337 /nfs/dbraw/zinc/65/23/37/600652337.db2.gz BNNYFYWYMVAFBM-GFCCVEGCSA-N -1 0 337.379 3.614 20 0 EHADRM CCc1ccc([C@H](NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)C(C)C)cc1 ZINC000392270687 600652958 /nfs/dbraw/zinc/65/29/58/600652958.db2.gz HRFDWNNLIMOSSB-KZNAEPCWSA-N -1 0 331.456 3.953 20 0 EHADRM CC(C)c1nc2cc(NC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)ccc2o1 ZINC000392165248 600655083 /nfs/dbraw/zinc/65/50/83/600655083.db2.gz DCQFSNIYLLKAQB-VXGBXAGGSA-N -1 0 330.384 3.781 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)NCC2(c3ccc(F)cc3)CCCC2)C1 ZINC000179969030 600657395 /nfs/dbraw/zinc/65/73/95/600657395.db2.gz QAQLHNJDWGHVGU-GJZGRUSLSA-N -1 0 347.430 3.645 20 0 EHADRM CSc1ccc(O[C@H](C)C(=O)Oc2cc(C(=O)[O-])ccc2C)cc1 ZINC000738213423 600661185 /nfs/dbraw/zinc/66/11/85/600661185.db2.gz WBLMYFXMRSMTQB-GFCCVEGCSA-N -1 0 346.404 3.788 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc(Oc3ccncc3)cc2)C1 ZINC000191579218 600662107 /nfs/dbraw/zinc/66/21/07/600662107.db2.gz XLVSLNDQPUBZHY-KGLIPLIRSA-N -1 0 340.379 3.703 20 0 EHADRM CC(C)CCc1nc(CN(C)[C@@H](C(=O)[O-])c2ccccc2)cs1 ZINC000736435190 600672049 /nfs/dbraw/zinc/67/20/49/600672049.db2.gz BPPRLCRCDCNNII-QGZVFWFLSA-N -1 0 332.469 3.989 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)Oc1ccccc1CC(=O)[O-] ZINC000738287156 600676798 /nfs/dbraw/zinc/67/67/98/600676798.db2.gz SODDWMLGWCLRGR-UHFFFAOYSA-N -1 0 328.295 3.727 20 0 EHADRM O=C([O-])c1c(F)cccc1NCc1ccc(Br)s1 ZINC000093411362 600677279 /nfs/dbraw/zinc/67/72/79/600677279.db2.gz JYOFWXWVBLFXFG-UHFFFAOYSA-N -1 0 330.178 3.960 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NCc2nc(-c3cccs3)no2)cc1 ZINC000736232041 600679431 /nfs/dbraw/zinc/67/94/31/600679431.db2.gz AMPKUAZIBJAHOV-UHFFFAOYSA-N -1 0 343.408 3.772 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC[C@H](O)c1cccc(Cl)c1 ZINC000831977688 600682742 /nfs/dbraw/zinc/68/27/42/600682742.db2.gz UJMJBDVNRAZRRB-VFADXPBXSA-N -1 0 348.782 3.559 20 0 EHADRM COC(=O)c1cc(NCc2c(F)cccc2Cl)ccc1C(=O)[O-] ZINC000737663054 600683363 /nfs/dbraw/zinc/68/33/63/600683363.db2.gz ASWOABPBWGNUSC-UHFFFAOYSA-N -1 0 337.734 3.576 20 0 EHADRM CC(C)C[C@@H]1CCCCCN1C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000262099791 600691376 /nfs/dbraw/zinc/69/13/76/600691376.db2.gz IXMBBKKZZMSQBR-INIZCTEOSA-N -1 0 333.428 3.581 20 0 EHADRM CC(C)C[C@@H]1CCCCCN1C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000659759716 600691418 /nfs/dbraw/zinc/69/14/18/600691418.db2.gz URDUNFMQNBPJBT-INIZCTEOSA-N -1 0 333.428 3.581 20 0 EHADRM COc1cccc2cc(-c3nc(-c4cccc(C(=O)[O-])c4)no3)oc21 ZINC000832577741 600695389 /nfs/dbraw/zinc/69/53/89/600695389.db2.gz PBVUVUMTXQJIGA-UHFFFAOYSA-N -1 0 336.303 3.857 20 0 EHADRM C[C@H](OC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)c1ccc(C(=O)[O-])o1 ZINC000827818278 600695778 /nfs/dbraw/zinc/69/57/78/600695778.db2.gz RMOBMVASSBQNDN-INTQDDNPSA-N -1 0 336.290 3.664 20 0 EHADRM C/C(=C\C(=O)O[C@@H](C(=O)[O-])C(C)C)c1ccccc1C(F)(F)F ZINC000825724964 600697676 /nfs/dbraw/zinc/69/76/76/600697676.db2.gz YCYLJRCLANHBFZ-QSYFUGGGSA-N -1 0 330.302 3.761 20 0 EHADRM C/C(=C\C(=O)O[C@H](C(=O)[O-])C(C)C)c1ccccc1C(F)(F)F ZINC000825724961 600697830 /nfs/dbraw/zinc/69/78/30/600697830.db2.gz YCYLJRCLANHBFZ-PLWJUESGSA-N -1 0 330.302 3.761 20 0 EHADRM O=C([O-])c1cccc(-c2noc(CCOc3ccccc3Cl)n2)c1 ZINC000833327985 600698512 /nfs/dbraw/zinc/69/85/12/600698512.db2.gz PDYBGNOQMFJUBG-UHFFFAOYSA-N -1 0 344.754 3.710 20 0 EHADRM O=C([O-])c1cccc(-c2noc(Cc3ccccc3OC(F)F)n2)c1 ZINC000833327288 600699271 /nfs/dbraw/zinc/69/92/71/600699271.db2.gz GAESENVHWYSBPM-UHFFFAOYSA-N -1 0 346.289 3.627 20 0 EHADRM Cc1cc2c(cc1C)O[C@H](c1nc(-c3cccc(C(=O)[O-])c3)no1)C2 ZINC000832905295 600701363 /nfs/dbraw/zinc/70/13/63/600701363.db2.gz CXUKVARBIVSCFA-INIZCTEOSA-N -1 0 336.347 3.728 20 0 EHADRM Cc1cc(COC(=O)c2ncoc2-c2ccc(C)cc2)oc1C(=O)[O-] ZINC000832910306 600705469 /nfs/dbraw/zinc/70/54/69/600705469.db2.gz YFWZDNLGIICCQL-UHFFFAOYSA-N -1 0 341.319 3.607 20 0 EHADRM O=C([O-])c1coc(COC(=O)c2ncoc2-c2ccccc2Cl)c1 ZINC000833340241 600708813 /nfs/dbraw/zinc/70/88/13/600708813.db2.gz GBSUZPOUXPGRIE-UHFFFAOYSA-N -1 0 347.710 3.643 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)[C@@H]1CCSc2ccccc21 ZINC000833298755 600710899 /nfs/dbraw/zinc/71/08/99/600710899.db2.gz FIXRQVPYUMMUNG-CQSZACIVSA-N -1 0 346.379 3.847 20 0 EHADRM CCC[C@H]1[C@@H](C)CCCN1C(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC000829245924 600717721 /nfs/dbraw/zinc/71/77/21/600717721.db2.gz SOEOFRDNYXLAFN-BBRMVZONSA-N -1 0 348.443 3.504 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000827428595 600721892 /nfs/dbraw/zinc/72/18/92/600721892.db2.gz YBOCQKHQBAORTH-YVEFUNNKSA-N -1 0 348.345 3.903 20 0 EHADRM C[C@@H](OC(=O)[C@H]1SCCc2sccc21)c1ccc(C(=O)[O-])o1 ZINC000827827907 600726834 /nfs/dbraw/zinc/72/68/34/600726834.db2.gz SQSNPEKUROKBEY-OQPBUACISA-N -1 0 338.406 3.674 20 0 EHADRM C[C@H](OC(=O)[C@H]1SCCc2sccc21)c1ccc(C(=O)[O-])o1 ZINC000827827908 600727022 /nfs/dbraw/zinc/72/70/22/600727022.db2.gz SQSNPEKUROKBEY-SDBXPKJASA-N -1 0 338.406 3.674 20 0 EHADRM CC[C@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)c1cc(F)ccc1F ZINC000736913403 600728221 /nfs/dbraw/zinc/72/82/21/600728221.db2.gz BDEIGAMNVQVIHV-INIZCTEOSA-N -1 0 348.349 3.614 20 0 EHADRM O=C([O-])[C@H](N[C@@H](c1ccco1)c1ccccc1)c1ccccc1F ZINC000833167224 600734931 /nfs/dbraw/zinc/73/49/31/600734931.db2.gz KXWYNKMVCVMUBU-QZTJIDSGSA-N -1 0 325.339 3.924 20 0 EHADRM Cc1nc(-c2cccc(C(=O)OCc3cc(C(=O)[O-])co3)c2)cs1 ZINC000832991261 600736051 /nfs/dbraw/zinc/73/60/51/600736051.db2.gz GFEQANKQILNHEB-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM Cc1ccc(OS(=O)(=O)c2cccc(C(C)C)c2)c(C(=O)[O-])c1 ZINC000832952194 600739338 /nfs/dbraw/zinc/73/93/38/600739338.db2.gz XCMJUUIHXHBHFF-UHFFFAOYSA-N -1 0 334.393 3.584 20 0 EHADRM C[C@@H](Nc1ccc(NC(=O)[O-])cc1)c1nc(Cc2ccccc2)no1 ZINC000827773447 600740511 /nfs/dbraw/zinc/74/05/11/600740511.db2.gz MHRYVUMMOMWZPP-GFCCVEGCSA-N -1 0 338.367 3.923 20 0 EHADRM Cc1cc(C)cc(CCNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC000738363856 600745251 /nfs/dbraw/zinc/74/52/51/600745251.db2.gz NPUUUSNYJFPPKN-UHFFFAOYSA-N -1 0 330.359 3.505 20 0 EHADRM C[C@@H](Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1)C(=O)[O-] ZINC000737695313 600750288 /nfs/dbraw/zinc/75/02/88/600750288.db2.gz OYVLKSNEWGCOBT-SECBINFHSA-N -1 0 326.274 3.778 20 0 EHADRM CCc1nc(C)c([C@@H](C)OC(=O)c2ccc(C(=O)[O-])s2)s1 ZINC000737282122 600757015 /nfs/dbraw/zinc/75/70/15/600757015.db2.gz VJKHOOQPUWAICV-MRVPVSSYSA-N -1 0 325.411 3.692 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000736488238 600760423 /nfs/dbraw/zinc/76/04/23/600760423.db2.gz RUUNDXDFXLTONI-LBPRGKRZSA-N -1 0 346.427 3.967 20 0 EHADRM CC(C)(CC(=O)[O-])NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000736311160 600774984 /nfs/dbraw/zinc/77/49/84/600774984.db2.gz KGGKVZIFBGENKV-UHFFFAOYSA-N -1 0 348.786 3.510 20 0 EHADRM CC(C)(C)c1ccc(OCCCC(=O)NC(C)(C)CC(=O)[O-])cc1 ZINC000736308274 600776024 /nfs/dbraw/zinc/77/60/24/600776024.db2.gz XYUWQTZZLIVMKQ-UHFFFAOYSA-N -1 0 335.444 3.513 20 0 EHADRM CC(C)(CC(=O)[O-])NC(=O)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC000736310953 600777453 /nfs/dbraw/zinc/77/74/53/600777453.db2.gz BKNRQOLUCXKWOZ-UHFFFAOYSA-N -1 0 349.333 3.740 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)[C@H]2C[C@]23CCCc2ccccc23)cc1 ZINC000833291163 600785770 /nfs/dbraw/zinc/78/57/70/600785770.db2.gz YWTAREMRLAJEIH-XLIONFOSSA-N -1 0 337.375 3.976 20 0 EHADRM COc1ccc(NC(=O)c2cccc3ccc(C)nc32)c(C(=O)[O-])c1 ZINC000342550167 600786503 /nfs/dbraw/zinc/78/65/03/600786503.db2.gz UXFUJPYZCXUPJS-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM CC(C)C[C@@H](C)CC(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000236736912 600795392 /nfs/dbraw/zinc/79/53/92/600795392.db2.gz USFDGIOKVBCLOO-CYBMUJFWSA-N -1 0 341.398 3.840 20 0 EHADRM C/C(=C\C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F)C(C)(C)C ZINC000825716387 600797142 /nfs/dbraw/zinc/79/71/42/600797142.db2.gz DWUOVWNTVLDPQC-ZRDIBKRKSA-N -1 0 339.382 3.761 20 0 EHADRM O=C([O-])C[C@H](NC(=O)/C=C\c1ccsc1)c1cccc(Cl)c1 ZINC000776673463 600799193 /nfs/dbraw/zinc/79/91/93/600799193.db2.gz PYUJOZLPLROZGQ-WSNITJDQSA-N -1 0 335.812 3.747 20 0 EHADRM CCN(CC)C(=O)c1ccc(OCc2ccc(F)cc2C(=O)[O-])cc1 ZINC000829658598 600805495 /nfs/dbraw/zinc/80/54/95/600805495.db2.gz KFDBMDOOGJWCMU-UHFFFAOYSA-N -1 0 345.370 3.585 20 0 EHADRM O=C([O-])C[C@H](NC(=O)/C=C/c1cccs1)c1cccc(Cl)c1 ZINC000776679650 600807087 /nfs/dbraw/zinc/80/70/87/600807087.db2.gz WPNHNTQROHUABL-UZYOAWRESA-N -1 0 335.812 3.747 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)Nc1cccc(F)c1C ZINC000832917957 600807282 /nfs/dbraw/zinc/80/72/82/600807282.db2.gz ROOGRUVJOGYYTE-LBPRGKRZSA-N -1 0 330.359 3.580 20 0 EHADRM Cc1ccc2c(CCC(=O)Nc3ccc(C(=O)[O-])s3)c[nH]c2c1 ZINC000832960663 600807290 /nfs/dbraw/zinc/80/72/90/600807290.db2.gz SHCOSWLTOZAAHP-UHFFFAOYSA-N -1 0 328.393 3.807 20 0 EHADRM Cc1ccc([C@H](C)C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)o1 ZINC000832923338 600808318 /nfs/dbraw/zinc/80/83/18/600808318.db2.gz HJPWNLWXSCRVMH-SMDDNHRTSA-N -1 0 335.787 3.677 20 0 EHADRM CC[C@H]1CO[C@@H](C)CN1Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000577856930 600818026 /nfs/dbraw/zinc/81/80/26/600818026.db2.gz KJAWPJRRUZFZKP-LRDDRELGSA-N -1 0 346.452 3.508 20 0 EHADRM Cc1ccc2c(CCC(=O)Nc3sccc3C(=O)[O-])c[nH]c2c1 ZINC000832959034 600818342 /nfs/dbraw/zinc/81/83/42/600818342.db2.gz APFJUUKCSHUIJP-UHFFFAOYSA-N -1 0 328.393 3.807 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1cc(Oc2ccccc2)ccn1 ZINC000833163756 600818623 /nfs/dbraw/zinc/81/86/23/600818623.db2.gz RUCUDYYJMBEBPV-UHFFFAOYSA-N -1 0 340.360 3.886 20 0 EHADRM Cc1ccc(NC(=S)N2C[C@@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000738628361 600820270 /nfs/dbraw/zinc/82/02/70/600820270.db2.gz PUBCNZUALHZUFK-CYBMUJFWSA-N -1 0 326.421 3.770 20 0 EHADRM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)Cc1csc(Br)c1 ZINC000091781402 600820279 /nfs/dbraw/zinc/82/02/79/600820279.db2.gz QLHVNPDCBPKSTK-QMMMGPOBSA-N -1 0 344.230 3.995 20 0 EHADRM C[C@H]1CCCC[C@@H]1NC(=S)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000736786384 600821591 /nfs/dbraw/zinc/82/15/91/600821591.db2.gz TZPRNBZDNBCQRI-WFASDCNBSA-N -1 0 334.485 3.914 20 0 EHADRM COc1ccc(-c2cnc(CNc3ccc(C(=O)[O-])c(C)c3)o2)cc1 ZINC000832124567 600825970 /nfs/dbraw/zinc/82/59/70/600825970.db2.gz STSIWGUGYUSZES-UHFFFAOYSA-N -1 0 338.363 3.969 20 0 EHADRM CC/C(=C/C(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccc(C)cc1 ZINC000736837412 600831959 /nfs/dbraw/zinc/83/19/59/600831959.db2.gz VZVBTPSDMAECQF-QINSGFPZSA-N -1 0 339.391 3.891 20 0 EHADRM CCc1ccc(CC(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)cc1 ZINC000737260504 600833857 /nfs/dbraw/zinc/83/38/57/600833857.db2.gz QSVWKZNDVHMBMP-UHFFFAOYSA-N -1 0 345.826 3.558 20 0 EHADRM O=C([O-])[C@H](Sc1nnc(-c2cccs2)o1)c1ccccc1F ZINC000833170834 600834569 /nfs/dbraw/zinc/83/45/69/600834569.db2.gz SYZNWYXXZHARKX-LLVKDONJSA-N -1 0 336.369 3.855 20 0 EHADRM Cc1ccc(C)c([C@@H]2CN(Cc3cc(C(=O)[O-])co3)[C@@H](C)CO2)c1 ZINC000567905931 600834695 /nfs/dbraw/zinc/83/46/95/600834695.db2.gz WZXOQADRVZDMKP-KSSFIOAISA-N -1 0 329.396 3.557 20 0 EHADRM Cc1nc(-c2ccc3ccccc3c2)n(Cc2ccoc2C(=O)[O-])n1 ZINC000832991493 600839068 /nfs/dbraw/zinc/83/90/68/600839068.db2.gz UUYMSPFOWWLADH-UHFFFAOYSA-N -1 0 333.347 3.746 20 0 EHADRM COC(=O)C[C@@H](C)S[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000831129673 600840160 /nfs/dbraw/zinc/84/01/60/600840160.db2.gz ZCXPTYDSHNXMTB-KRTXAFLBSA-N -1 0 337.224 3.804 20 0 EHADRM Cc1cccc2c(CCC(=O)N3C[C@H](C(=O)[O-])c4ccccc43)c[nH]c21 ZINC000192945340 600841523 /nfs/dbraw/zinc/84/15/23/600841523.db2.gz GAJPTJJYGRUQEA-KRWDZBQOSA-N -1 0 348.402 3.624 20 0 EHADRM COc1ccccc1[C@@H](C)SCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000832594846 600842304 /nfs/dbraw/zinc/84/23/04/600842304.db2.gz GXQGWZSDENESPY-GFCCVEGCSA-N -1 0 345.420 3.826 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000736903068 600845270 /nfs/dbraw/zinc/84/52/70/600845270.db2.gz GGBSFUMBZDSTCZ-DLBZAZTESA-N -1 0 337.419 3.860 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000736903070 600845458 /nfs/dbraw/zinc/84/54/58/600845458.db2.gz GGBSFUMBZDSTCZ-IRXDYDNUSA-N -1 0 337.419 3.860 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2ccc(F)c(Br)c2)c1 ZINC000224792054 600848231 /nfs/dbraw/zinc/84/82/31/600848231.db2.gz ZFGANJBOQCSXOZ-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)c1ccc(F)c(Br)c1 ZINC000230936334 600849012 /nfs/dbraw/zinc/84/90/12/600849012.db2.gz ZJOOURDDSFYZOI-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(OC2CCC2)cc1)c1ccccc1 ZINC000769516213 600850658 /nfs/dbraw/zinc/85/06/58/600850658.db2.gz NGIHESPVGOATIT-SFHVURJKSA-N -1 0 339.391 3.564 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2cccc(-c3cscn3)c2)c1 ZINC000833319702 600852202 /nfs/dbraw/zinc/85/22/02/600852202.db2.gz QALQOBMXXVQGOU-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)c2cc(-c3ccccc3)no2)c2ccccc21 ZINC000739646301 600852259 /nfs/dbraw/zinc/85/22/59/600852259.db2.gz JVRCCAQQMNVEJC-AWEZNQCLSA-N -1 0 348.358 3.560 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000237520681 600859042 /nfs/dbraw/zinc/85/90/42/600859042.db2.gz LIJVBZYOWJZWFL-CQSZACIVSA-N -1 0 343.398 3.751 20 0 EHADRM CC(C)Oc1ccccc1C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000736495406 600861720 /nfs/dbraw/zinc/86/17/20/600861720.db2.gz YSJRHECOSFKYIP-CQSZACIVSA-N -1 0 339.391 3.693 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)c2coc(-c3ccccc3)n2)c2ccccc21 ZINC000739653101 600862915 /nfs/dbraw/zinc/86/29/15/600862915.db2.gz GWAXZLHMKSDZIH-AWEZNQCLSA-N -1 0 348.358 3.560 20 0 EHADRM CCc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(C(=O)[O-])cc2)s1 ZINC000575401280 600863631 /nfs/dbraw/zinc/86/36/31/600863631.db2.gz QRFIDOFYDSDSHA-NSHDSACASA-N -1 0 332.425 3.545 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000237323988 600864009 /nfs/dbraw/zinc/86/40/09/600864009.db2.gz ABRKBCCUXRLNMH-HNNXBMFYSA-N -1 0 343.398 3.508 20 0 EHADRM CCC[C@@H](CCc1ccccc1)NC(=O)c1ccc(C(=O)[O-])s1 ZINC000736970367 600866467 /nfs/dbraw/zinc/86/64/67/600866467.db2.gz KZACDFHGAUZBBL-AWEZNQCLSA-N -1 0 331.437 3.978 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)OCc3cccc(C(=O)[O-])c3)c2c1 ZINC000832959147 600869616 /nfs/dbraw/zinc/86/96/16/600869616.db2.gz CQEIESUQSLGWSU-UHFFFAOYSA-N -1 0 337.375 3.851 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)OCc3ccc(C(=O)[O-])cc3)c2c1 ZINC000832960907 600869676 /nfs/dbraw/zinc/86/96/76/600869676.db2.gz UMAIOROVXLDABX-UHFFFAOYSA-N -1 0 337.375 3.851 20 0 EHADRM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000326615775 600871013 /nfs/dbraw/zinc/87/10/13/600871013.db2.gz LCPUIOUEMVDFCX-HOTGVXAUSA-N -1 0 331.456 3.834 20 0 EHADRM CN(C(=O)/C=C\C1CC1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000830464804 600872344 /nfs/dbraw/zinc/87/23/44/600872344.db2.gz MOHXIOWKEKAMPV-ZBKLQPJUSA-N -1 0 328.195 3.544 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)C[C@H](C)c2ccccc2)c1OC ZINC000262552138 600876411 /nfs/dbraw/zinc/87/64/11/600876411.db2.gz VFXZSADXRVUHPA-LBPRGKRZSA-N -1 0 343.379 3.534 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2cc(-c3ccccc3)ns2)c1 ZINC000833319145 600876548 /nfs/dbraw/zinc/87/65/48/600876548.db2.gz HRFALWOCMFBPKH-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM Cc1ccc([C@H](C)C(=O)Nc2cccc(CSCC(=O)[O-])c2)o1 ZINC000832924313 600876632 /nfs/dbraw/zinc/87/66/32/600876632.db2.gz ONYYRNLTFRCQKV-LBPRGKRZSA-N -1 0 333.409 3.648 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N(Cc2ccc(Cl)cc2)C2CC2)C1 ZINC000179958853 600885318 /nfs/dbraw/zinc/88/53/18/600885318.db2.gz RWZDZOAOBCUMFP-UONOGXRCSA-N -1 0 335.831 3.722 20 0 EHADRM C[C@@]1(C(=O)Nc2ccc(CNC(=O)[O-])cc2)CCc2ccccc2C1 ZINC000827976112 600887930 /nfs/dbraw/zinc/88/79/30/600887930.db2.gz JCEJJTPOPXKKON-HXUWFJFHSA-N -1 0 338.407 3.588 20 0 EHADRM COc1cc(C(=O)[O-])cc(N[C@@H](C)c2c(F)cccc2F)c1OC ZINC000831914100 600894798 /nfs/dbraw/zinc/89/47/98/600894798.db2.gz ZVDMJMRDJAOBIF-VIFPVBQESA-N -1 0 337.322 3.853 20 0 EHADRM CCOc1ccc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1Cl ZINC000261988033 600894999 /nfs/dbraw/zinc/89/49/99/600894999.db2.gz BCUGLOBYDVAMMR-MNOVXSKESA-N -1 0 325.792 3.568 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2c3c(nc4ccccc42)CCC3)s1 ZINC000833319377 600900232 /nfs/dbraw/zinc/90/02/32/600900232.db2.gz KGXWKMJOMPQTSM-UHFFFAOYSA-N -1 0 338.388 3.736 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)C[C@@H](C)c1ccccc1C(F)(F)F ZINC000236913277 600902752 /nfs/dbraw/zinc/90/27/52/600902752.db2.gz QOMYKBQZBHTKKO-LLVKDONJSA-N -1 0 331.334 3.522 20 0 EHADRM C[C@H](CC(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c1ccccc1C(F)(F)F ZINC000675986074 600906376 /nfs/dbraw/zinc/90/63/76/600906376.db2.gz GVBQBZQBGYLBKJ-YGRLFVJLSA-N -1 0 345.361 3.815 20 0 EHADRM CCC(CC)(NC(=O)CCSc1ccc(Cl)cc1)C(=O)[O-] ZINC000094240408 600921874 /nfs/dbraw/zinc/92/18/74/600921874.db2.gz ZZHNVFUDNMACBK-UHFFFAOYSA-N -1 0 329.849 3.582 20 0 EHADRM CCC(CC)(NC(=O)/C=C\c1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000828824746 600924260 /nfs/dbraw/zinc/92/42/60/600924260.db2.gz QWGLRPDSYVGLDM-SEYXRHQNSA-N -1 0 345.439 3.781 20 0 EHADRM CC(C)C[C@@H](CNC(=O)[C@@H](C)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000678983443 600927325 /nfs/dbraw/zinc/92/73/25/600927325.db2.gz ROGWKXWUBOQZMS-QWRGUYRKSA-N -1 0 346.254 3.960 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2scnc2-c2ccccc2)C1 ZINC000833186083 600927967 /nfs/dbraw/zinc/92/79/67/600927967.db2.gz FKDIWMPBOQENQU-OLZOCXBDSA-N -1 0 330.409 3.640 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)CNc2ccccc2Cl)cc1 ZINC000676025550 600931935 /nfs/dbraw/zinc/93/19/35/600931935.db2.gz PNNZUJDRIJTFPU-UHFFFAOYSA-N -1 0 346.814 3.753 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1csc2ccccc21 ZINC000779429567 600936205 /nfs/dbraw/zinc/93/62/05/600936205.db2.gz PZLNOYAHCJYKQB-RWMBFGLXSA-N -1 0 331.437 3.970 20 0 EHADRM C[C@@H]1CC[C@@H](CCC(=O)Oc2c(C(=O)[O-])ccc3ccccc32)O1 ZINC000828225487 600938736 /nfs/dbraw/zinc/93/87/36/600938736.db2.gz AYHOQYXFWNJROX-OCCSQVGLSA-N -1 0 328.364 3.791 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC000827427728 600938769 /nfs/dbraw/zinc/93/87/69/600938769.db2.gz MABCGYQELQNWBL-CYBMUJFWSA-N -1 0 330.355 3.627 20 0 EHADRM C[C@@H]1CC[C@H](CCC(=O)Oc2cc3ccccc3cc2C(=O)[O-])O1 ZINC000828225541 600939818 /nfs/dbraw/zinc/93/98/18/600939818.db2.gz CXRHYTDVFPFBDD-IUODEOHRSA-N -1 0 328.364 3.791 20 0 EHADRM COc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)c(C)c1 ZINC000832212978 600948385 /nfs/dbraw/zinc/94/83/85/600948385.db2.gz LPQUKTKEHDNCTF-HNNXBMFYSA-N -1 0 334.755 3.640 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000833184603 600948504 /nfs/dbraw/zinc/94/85/04/600948504.db2.gz HVQVFHRTZAJZGL-XJKCOSOUSA-N -1 0 337.366 3.519 20 0 EHADRM Cc1ccc(-c2nc(C(=O)O[C@H](CC(C)C)C(=O)[O-])cs2)cc1 ZINC000832907271 600958254 /nfs/dbraw/zinc/95/82/54/600958254.db2.gz OLMXAPDNVIEMCW-CQSZACIVSA-N -1 0 333.409 3.775 20 0 EHADRM Cc1ccc(C)c(OCCN2C[C@H](CC(=O)[O-])c3ccccc32)c1 ZINC000325258553 600960035 /nfs/dbraw/zinc/96/00/35/600960035.db2.gz IXASQMYUXSANEM-INIZCTEOSA-N -1 0 325.408 3.761 20 0 EHADRM Cc1ccc(CN(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)C2CC2)cc1C ZINC000180019401 600966577 /nfs/dbraw/zinc/96/65/77/600966577.db2.gz GTZOBCZCHBRBNR-DLBZAZTESA-N -1 0 329.440 3.685 20 0 EHADRM CC[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)C(C)(C)c1ccccc1 ZINC000245665532 600968580 /nfs/dbraw/zinc/96/85/80/600968580.db2.gz GNONZYUQDCENAS-UXLLHSPISA-N -1 0 331.456 3.750 20 0 EHADRM Cc1oc(CS[C@@H]2CCN(c3ccc(C)cc3)C2=O)cc1C(=O)[O-] ZINC000832936988 600968844 /nfs/dbraw/zinc/96/88/44/600968844.db2.gz YKNHEDQHEOZFQP-MRXNPFEDSA-N -1 0 345.420 3.633 20 0 EHADRM C[C@H](C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2)C(F)(F)F ZINC000826026531 600969617 /nfs/dbraw/zinc/96/96/17/600969617.db2.gz OJMPCWJQPVPCIT-SSDOTTSWSA-N -1 0 335.347 3.852 20 0 EHADRM Cc1c(NC(=S)N[C@@H]2CCc3ccccc3C2)cccc1C(=O)[O-] ZINC000832857051 600970870 /nfs/dbraw/zinc/97/08/70/600970870.db2.gz ZPWNTFSLOFVYOH-OAHLLOKOSA-N -1 0 340.448 3.537 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)[C@@H](C)CCc1cccc(F)c1 ZINC000832524140 600971542 /nfs/dbraw/zinc/97/15/42/600971542.db2.gz QNJPRSNECKVEPP-LBPRGKRZSA-N -1 0 346.354 3.707 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2cccc(Oc3ccccn3)c2)C1 ZINC000191589418 600977680 /nfs/dbraw/zinc/97/76/80/600977680.db2.gz UXDIJDZZSVNXNA-ZIAGYGMSSA-N -1 0 340.379 3.703 20 0 EHADRM CCC[C@H](C)C(=O)Nc1c(C)c(Br)ccc1C(=O)[O-] ZINC000829209814 600978194 /nfs/dbraw/zinc/97/81/94/600978194.db2.gz XJOILIPEVDXLQH-QMMMGPOBSA-N -1 0 328.206 3.830 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc2ccccn2c1)c1cccc(Cl)c1 ZINC000833198861 600980492 /nfs/dbraw/zinc/98/04/92/600980492.db2.gz JRCCEXFUNONZIU-INIZCTEOSA-N -1 0 342.782 3.539 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1CCSc2ccccc21 ZINC000738524028 600994403 /nfs/dbraw/zinc/99/44/03/600994403.db2.gz AAIWHBBUAVJMMA-AWEZNQCLSA-N -1 0 327.405 3.911 20 0 EHADRM CC(C)c1ccc(NC(=O)NC[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000325017601 600994692 /nfs/dbraw/zinc/99/46/92/600994692.db2.gz HFMRSDGSJAIXCK-KRWDZBQOSA-N -1 0 326.396 3.800 20 0 EHADRM Cc1cc(NC(=O)[C@H]2CCSc3ccccc32)sc1C(=O)[O-] ZINC000738229533 600996970 /nfs/dbraw/zinc/99/69/70/600996970.db2.gz CKVQGKVPKKWPQD-NSHDSACASA-N -1 0 333.434 3.973 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)Nc3cccc(F)c3C(=O)[O-])c2c1 ZINC000832958858 600997042 /nfs/dbraw/zinc/99/70/42/600997042.db2.gz NKOQXLBOYVTNTJ-UHFFFAOYSA-N -1 0 340.354 3.885 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1ccc(-c2nccs2)cc1)C(=O)[O-] ZINC000424475516 600998156 /nfs/dbraw/zinc/99/81/56/600998156.db2.gz SOEJGSWPFNZQOX-ZDUSSCGKSA-N -1 0 347.440 3.679 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)[C@H](C)c1cccc(F)c1 ZINC000737871284 601000922 /nfs/dbraw/zinc/00/09/22/601000922.db2.gz JLZFQNJZTZERSB-ZVTBTPLYSA-N -1 0 344.338 3.641 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)[C@@H]2Cc3ccccc32)c1 ZINC000262051978 601009235 /nfs/dbraw/zinc/00/92/35/601009235.db2.gz FSLWRPBTAIFAKD-QGZVFWFLSA-N -1 0 341.432 3.673 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)[C@H]1CCSc2ccccc21 ZINC000740066189 601009800 /nfs/dbraw/zinc/00/98/00/601009800.db2.gz LYOUIABABNKXGZ-NSHDSACASA-N -1 0 331.368 3.742 20 0 EHADRM Cc1cccc(N(CC(=O)[O-])C(=O)CCc2ccc3ccccc3c2)n1 ZINC000738721001 601015321 /nfs/dbraw/zinc/01/53/21/601015321.db2.gz SULCPCWYBFQAMS-UHFFFAOYSA-N -1 0 348.402 3.594 20 0 EHADRM CCO[C@@H]1C[C@@H](NC(=O)Nc2cccc(C(=O)[O-])c2C)C12CCCC2 ZINC000829926820 601015479 /nfs/dbraw/zinc/01/54/79/601015479.db2.gz ZXBHGTBSVPKIMF-HZPDHXFCSA-N -1 0 346.427 3.553 20 0 EHADRM Cc1ccc(O[C@H](C)CNC(=O)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC000832950542 601016033 /nfs/dbraw/zinc/01/60/33/601016033.db2.gz IDLRXRKUGUFQTJ-CYBMUJFWSA-N -1 0 342.395 3.591 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)Oc2ccccc2CC(=O)[O-])cc1 ZINC000737258144 601021656 /nfs/dbraw/zinc/02/16/56/601021656.db2.gz YENZOBPWHGFZIK-AWEZNQCLSA-N -1 0 326.392 3.975 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)N2CCC(C(F)(F)F)CC2)c1 ZINC000833289249 601024542 /nfs/dbraw/zinc/02/45/42/601024542.db2.gz QUMBIHXIKWYUAK-UHFFFAOYSA-N -1 0 331.294 3.583 20 0 EHADRM O=C([O-])CCN(C(=O)C[C@@H]1CCc2ccccc21)c1cccc(F)c1 ZINC000739711380 601026845 /nfs/dbraw/zinc/02/68/45/601026845.db2.gz KKFUOGGAPUODOS-HNNXBMFYSA-N -1 0 341.382 3.754 20 0 EHADRM O=C([O-])CCN(C(=O)[C@H]1C[C@@H]1C1CCCCC1)c1cccc(F)c1 ZINC000739711234 601028844 /nfs/dbraw/zinc/02/88/44/601028844.db2.gz IPUJPWNFOQTCLQ-SJORKVTESA-N -1 0 333.403 3.850 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(Br)c(F)c2)s1 ZINC000088085123 601031816 /nfs/dbraw/zinc/03/18/16/601031816.db2.gz NMXPJVPCLGXRJX-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM C[C@@H]1C[C@H]1[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccc(Cl)cc1 ZINC000358962703 601034198 /nfs/dbraw/zinc/03/41/98/601034198.db2.gz XZGBPARZXGMECT-QSGSBWRWSA-N -1 0 344.798 3.560 20 0 EHADRM Cc1csc([C@@H](NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)C2CC2)n1 ZINC000832988780 601040756 /nfs/dbraw/zinc/04/07/56/601040756.db2.gz HVFMCHASSJORMO-AWEZNQCLSA-N -1 0 345.424 3.731 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC(OCC3CCCCC3)CC2)cc1 ZINC000563211781 601041380 /nfs/dbraw/zinc/04/13/80/601041380.db2.gz NEFRKQZMDQFXSR-UHFFFAOYSA-N -1 0 345.439 3.586 20 0 EHADRM COc1ccc2sc(C(=O)NCCCCCC(=O)[O-])c(C)c2c1 ZINC000237344098 601052025 /nfs/dbraw/zinc/05/20/25/601052025.db2.gz FBYPVPDALGFFHT-UHFFFAOYSA-N -1 0 335.425 3.593 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000339350147 601055209 /nfs/dbraw/zinc/05/52/09/601055209.db2.gz YBFSGQALVKCAQM-IGJMFERPSA-N -1 0 332.227 3.712 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@@H]2CCc3c2cccc3O)cc1Cl ZINC000833155411 601056133 /nfs/dbraw/zinc/05/61/33/601056133.db2.gz XUZPMOVJRIOQPZ-CQSZACIVSA-N -1 0 346.770 3.553 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000262396243 601058454 /nfs/dbraw/zinc/05/84/54/601058454.db2.gz JJUXDTVKFKIISO-SNVBAGLBSA-N -1 0 332.227 3.809 20 0 EHADRM O=C([O-])[C@@H](OC(=O)Cc1cccc2ccccc21)c1ccccc1F ZINC000833118612 601061858 /nfs/dbraw/zinc/06/18/58/601061858.db2.gz LGWJJOJENHZSDG-IBGZPJMESA-N -1 0 338.334 3.891 20 0 EHADRM C[C@H](C(=O)Nc1cc(C(=O)[O-])ccn1)c1ccccc1C(F)(F)F ZINC000736214451 601062278 /nfs/dbraw/zinc/06/22/78/601062278.db2.gz HCLXSBXYCOPGON-VIFPVBQESA-N -1 0 338.285 3.541 20 0 EHADRM O=C([O-])[C@H](OC(=O)Cc1cccs1)c1ccc(Cl)cc1Cl ZINC000833118113 601062903 /nfs/dbraw/zinc/06/29/03/601062903.db2.gz JXASXBSEPKTCIJ-CYBMUJFWSA-N -1 0 345.203 3.967 20 0 EHADRM O=C([O-])c1cccc(-c2nc(COC(=O)c3cccs3)cs2)c1 ZINC000833326154 601063272 /nfs/dbraw/zinc/06/32/72/601063272.db2.gz GVERAFNCNOBMGJ-UHFFFAOYSA-N -1 0 345.401 3.927 20 0 EHADRM O=C([O-])c1ccc(OCCOC(=O)/C=C\c2ccccc2)c(Cl)c1 ZINC000833094818 601064072 /nfs/dbraw/zinc/06/40/72/601064072.db2.gz KXVSVVAOULWVOH-TWGQIWQCSA-N -1 0 346.766 3.674 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccccc1C(F)(F)F)c1ccccc1F ZINC000833351013 601064498 /nfs/dbraw/zinc/06/44/98/601064498.db2.gz IAZWRAMGVDBKRW-CYBMUJFWSA-N -1 0 342.244 3.827 20 0 EHADRM Cc1ccc2c(CCC(=O)N3Cc4ccc(C(=O)[O-])cc4C3)c[nH]c2c1 ZINC000832959574 601067186 /nfs/dbraw/zinc/06/71/86/601067186.db2.gz HVNYGXOFZXMZPD-UHFFFAOYSA-N -1 0 348.402 3.650 20 0 EHADRM O=C([O-])[C@H](OC(=O)/C=C/c1ccc(Cl)s1)c1ccccc1F ZINC000833095638 601071170 /nfs/dbraw/zinc/07/11/70/601071170.db2.gz WHWIAVSSCMVDDC-IZPAUZPXSA-N -1 0 340.759 3.923 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1sccc1-n1cccc1)c1ccccc1F ZINC000833351876 601072271 /nfs/dbraw/zinc/07/22/71/601072271.db2.gz PKDKXOWFVXXLGJ-CQSZACIVSA-N -1 0 345.351 3.661 20 0 EHADRM CC(C)Sc1c(Cl)cccc1NC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000263019709 601072448 /nfs/dbraw/zinc/07/24/48/601072448.db2.gz IWJBEAPQEMFEFQ-JTQLQIEISA-N -1 0 342.848 3.779 20 0 EHADRM CCC[C@H](C)NC(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000829215484 601073942 /nfs/dbraw/zinc/07/39/42/601073942.db2.gz CPRHJMRPWQOTML-ZETCQYMHSA-N -1 0 347.184 3.597 20 0 EHADRM C[C@H](C(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-])c1cccc(F)c1 ZINC000825977218 601082178 /nfs/dbraw/zinc/08/21/78/601082178.db2.gz AWYLDSBPEYSYAS-XCRHUMRWSA-N -1 0 347.430 3.811 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)CCCc1cccs1 ZINC000833176219 601085604 /nfs/dbraw/zinc/08/56/04/601085604.db2.gz CAFFHNZGLNQABR-WBVHZDCISA-N -1 0 349.496 3.953 20 0 EHADRM C[C@@H](Cc1ccsc1)NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000325315055 601091458 /nfs/dbraw/zinc/09/14/58/601091458.db2.gz BJIRDQSGBQPCKR-LBPRGKRZSA-N -1 0 346.452 3.863 20 0 EHADRM Cc1ccc(OCCC(=O)O[C@@H](C(=O)[O-])c2ccccc2F)cc1C ZINC000832951149 601099244 /nfs/dbraw/zinc/09/92/44/601099244.db2.gz KJAWCJLPZKICBU-GOSISDBHSA-N -1 0 346.354 3.581 20 0 EHADRM CN(Cc1nc(C(F)(F)F)cs1)Cc1ccc(F)cc1C(=O)[O-] ZINC000572049819 601115556 /nfs/dbraw/zinc/11/55/56/601115556.db2.gz ZYPFNWCCUXOSPL-UHFFFAOYSA-N -1 0 348.321 3.631 20 0 EHADRM CC(C)Oc1cccc(CC(=O)O[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000827058388 601122433 /nfs/dbraw/zinc/12/24/33/601122433.db2.gz DNYIMVGMOSGECZ-SFHVURJKSA-N -1 0 346.354 3.525 20 0 EHADRM Cc1ccc(NC(=O)NC2CCC(C(F)(F)F)CC2)cc1C(=O)[O-] ZINC000832947683 601138182 /nfs/dbraw/zinc/13/81/82/601138182.db2.gz UWEVDPADJGPTGV-UHFFFAOYSA-N -1 0 344.333 3.936 20 0 EHADRM CCc1nc([C@H](C)NC(=O)Nc2ccc(C)c(C(=O)[O-])c2)cs1 ZINC000830309654 601140446 /nfs/dbraw/zinc/14/04/46/601140446.db2.gz LHJPCNMWWLCRCN-JTQLQIEISA-N -1 0 333.413 3.595 20 0 EHADRM CCCO[C@H]1CCCN(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)CC1 ZINC000829522540 601142985 /nfs/dbraw/zinc/14/29/85/601142985.db2.gz AZIVWZSPDWLEFL-HNNXBMFYSA-N -1 0 334.416 3.506 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N(Cc2ccccc2)c2ccccn2)C1 ZINC000833184937 601149018 /nfs/dbraw/zinc/14/90/18/601149018.db2.gz IYWPRIJBRSHVKR-DLBZAZTESA-N -1 0 338.407 3.506 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccc(F)cc2C(F)(F)F)C1 ZINC000833186441 601154824 /nfs/dbraw/zinc/15/48/24/601154824.db2.gz MFMXOAXYTUAGLP-DTWKUNHWSA-N -1 0 333.281 3.674 20 0 EHADRM C[C@H](C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-])c1ccccc1F ZINC000362694697 601165858 /nfs/dbraw/zinc/16/58/58/601165858.db2.gz QAVPLDNJMZCWCV-DCGLDWPTSA-N -1 0 329.371 3.507 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000828899915 601172761 /nfs/dbraw/zinc/17/27/61/601172761.db2.gz CITCYCFVATZOKH-SZVBFZGTSA-N -1 0 339.435 3.834 20 0 EHADRM O=C([O-])c1sc2cccc(F)c2c1COC(=O)[C@@H]1CCCS1 ZINC000833347374 601175266 /nfs/dbraw/zinc/17/52/66/601175266.db2.gz AUTVOGVPVCVJKZ-NSHDSACASA-N -1 0 340.397 3.677 20 0 EHADRM CCO[C@@H](CCNC(=O)Nc1cccc(C(=O)[O-])c1C)C1CCCC1 ZINC000829919171 601176782 /nfs/dbraw/zinc/17/67/82/601176782.db2.gz WYXXBSFSLKXEEY-KRWDZBQOSA-N -1 0 348.443 3.800 20 0 EHADRM O=C([O-])CC1(NC(=O)CCSc2ccccc2F)CCCCC1 ZINC000321874079 601186131 /nfs/dbraw/zinc/18/61/31/601186131.db2.gz QQIXNUJBFFVOEF-UHFFFAOYSA-N -1 0 339.432 3.602 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000833351846 601189472 /nfs/dbraw/zinc/18/94/72/601189472.db2.gz VNZMIXAYLMXJJP-GOSISDBHSA-N -1 0 339.391 3.660 20 0 EHADRM Cc1ccc(-c2cc(COC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)on2)cc1 ZINC000832905575 601190589 /nfs/dbraw/zinc/19/05/89/601190589.db2.gz BOQCQLYTAHCQIJ-HUUCEWRRSA-N -1 0 343.379 3.584 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)OCc2ccccc2C(F)(F)F)C1 ZINC000833185344 601193137 /nfs/dbraw/zinc/19/31/37/601193137.db2.gz CAPDBRVYHWEFMV-QWRGUYRKSA-N -1 0 330.302 3.640 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)c1cccc2[nH]ccc21)C(=O)[O-] ZINC000532600128 601198856 /nfs/dbraw/zinc/19/88/56/601198856.db2.gz ORLHOZQNHNIKFP-CQSZACIVSA-N -1 0 336.391 3.531 20 0 EHADRM Cc1ccc(CCCC(=O)NC[C@H](C(=O)[O-])c2ccc(C)cc2)s1 ZINC000539572302 601199606 /nfs/dbraw/zinc/19/96/06/601199606.db2.gz VBJKQPQDCATXSF-KRWDZBQOSA-N -1 0 345.464 3.672 20 0 EHADRM Cc1ccc(OCCCNc2ccc(CNC(=O)[O-])cc2)cc1C ZINC000832952491 601209945 /nfs/dbraw/zinc/20/99/45/601209945.db2.gz NUUOABRRMJZLAA-UHFFFAOYSA-N -1 0 328.412 3.952 20 0 EHADRM Cc1ccc(C)c(OCCNc2ccc(CN(C)C(=O)[O-])cc2)c1 ZINC000832925386 601250458 /nfs/dbraw/zinc/25/04/58/601250458.db2.gz MITKSXWKQPCOFP-UHFFFAOYSA-N -1 0 328.412 3.904 20 0 EHADRM O=C([O-])c1ccc(N[C@@H](COCc2ccccc2)c2ccccc2)nn1 ZINC000833320555 601254214 /nfs/dbraw/zinc/25/42/14/601254214.db2.gz SROFJVNPLRZGAR-SFHVURJKSA-N -1 0 349.390 3.545 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000236686949 601278089 /nfs/dbraw/zinc/27/80/89/601278089.db2.gz DHWRHODWAUGQQI-RBJHHQRMSA-N -1 0 333.384 3.623 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C/C=C/c1ccc(F)cc1)c1ccc(F)cc1 ZINC000362441283 601278262 /nfs/dbraw/zinc/27/82/62/601278262.db2.gz QOZCYHMELJCJLP-IMLGJKEDSA-N -1 0 345.345 3.700 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccnc(C(=O)[O-])c1)C1CC1 ZINC000237436271 601279356 /nfs/dbraw/zinc/27/93/56/601279356.db2.gz KRGVTSXMKLGJDG-LLVKDONJSA-N -1 0 344.798 3.799 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(C(=O)c1ccnc(C(=O)[O-])c1)C1CC1 ZINC000237623378 601279722 /nfs/dbraw/zinc/27/97/22/601279722.db2.gz RITAUWBIGNVHEF-NSHDSACASA-N -1 0 344.798 3.799 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000829015152 601280827 /nfs/dbraw/zinc/28/08/27/601280827.db2.gz ZUWONODSNROMHW-QGZVFWFLSA-N -1 0 342.395 3.905 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000829014918 601280845 /nfs/dbraw/zinc/28/08/45/601280845.db2.gz UMGMWQGQHZSAQY-MRXNPFEDSA-N -1 0 342.395 3.905 20 0 EHADRM O=C([O-])c1cc(C(=O)Nc2ccc3nc(C4CC4)sc3c2)ccn1 ZINC000432103957 601281063 /nfs/dbraw/zinc/28/10/63/601281063.db2.gz WNGIWOOMTZMDRC-UHFFFAOYSA-N -1 0 339.376 3.519 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2c(Cl)cccc2Cl)c2ccccc21 ZINC000317099660 601284498 /nfs/dbraw/zinc/28/44/98/601284498.db2.gz PEXWGUBEPZGDGO-SNVBAGLBSA-N -1 0 336.174 3.822 20 0 EHADRM CC(C)[C@@H](C(=O)Nc1cc(C(=O)[O-])ccn1)c1cccc(Cl)c1 ZINC000826676122 601285560 /nfs/dbraw/zinc/28/55/60/601285560.db2.gz DJULUZYVJLVAHN-OAHLLOKOSA-N -1 0 332.787 3.812 20 0 EHADRM CN(C(=O)C/C=C/c1ccc(F)cc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000767021690 601287210 /nfs/dbraw/zinc/28/72/10/601287210.db2.gz NVPOJOACPHIWCI-DUMMIQTOSA-N -1 0 327.355 3.513 20 0 EHADRM Cc1cccc(CCC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000237502347 601294677 /nfs/dbraw/zinc/29/46/77/601294677.db2.gz NEPLXSYNSGAQCL-HNAYVOBHSA-N -1 0 325.408 3.506 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)Cc1c(F)cccc1Cl)c1ccccc1 ZINC000237509424 601295215 /nfs/dbraw/zinc/29/52/15/601295215.db2.gz MNFDLMQAVMXPRN-APPDUMDISA-N -1 0 349.789 3.600 20 0 EHADRM Cc1ccc(CCCC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000237736268 601297240 /nfs/dbraw/zinc/29/72/40/601297240.db2.gz XQMSMVSYBXPHHQ-UZLBHIALSA-N -1 0 339.435 3.896 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)Cc1ccc2ccccc2c1)c1ccccc1 ZINC000237513311 601298099 /nfs/dbraw/zinc/29/80/99/601298099.db2.gz NEZJTVOVRQXAAI-YCRPNKLZSA-N -1 0 347.414 3.961 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)CCc1c[nH]c2ccc(C)cc12 ZINC000262163807 601306498 /nfs/dbraw/zinc/30/64/98/601306498.db2.gz VOTOIQICMVKUPB-UHFFFAOYSA-N -1 0 330.428 3.559 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)Nc2cc(C(=O)[O-])n(C)c2)ccc1C(C)C ZINC000832899372 601313530 /nfs/dbraw/zinc/31/35/30/601313530.db2.gz NNLFFQVGHSRRKM-CYBMUJFWSA-N -1 0 344.411 3.561 20 0 EHADRM Cn1cc(NC(=O)c2c[nH]cc2-c2ccc(Cl)s2)cc1C(=O)[O-] ZINC000833049445 601321444 /nfs/dbraw/zinc/32/14/44/601321444.db2.gz OVMWOZNFZHHSMH-UHFFFAOYSA-N -1 0 349.799 3.686 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)NC[C@H]1SCCc2ccccc21 ZINC000833287484 601325918 /nfs/dbraw/zinc/32/59/18/601325918.db2.gz JKRXBBGEPJZGJG-MRXNPFEDSA-N -1 0 342.420 3.537 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2cccc(C(=O)[O-])n2)C(C)(C)C)c1 ZINC000832964974 601331495 /nfs/dbraw/zinc/33/14/95/601331495.db2.gz NXTDWBJLJLNXEE-MRXNPFEDSA-N -1 0 326.396 3.605 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000827049081 601332394 /nfs/dbraw/zinc/33/23/94/601332394.db2.gz UTEWWFRVPHHBGT-CJNGLKHVSA-N -1 0 346.427 3.968 20 0 EHADRM Cc1ccc(NC(=S)N[C@H]2CCOc3ccccc32)cc1C(=O)[O-] ZINC000832949256 601339152 /nfs/dbraw/zinc/33/91/52/601339152.db2.gz RUWWAAMXOXWBMK-HNNXBMFYSA-N -1 0 342.420 3.503 20 0 EHADRM C[C@@H](OC(=O)c1ccc(NC(=O)[O-])cc1)c1ncc(C(C)(C)C)o1 ZINC000827861703 601339615 /nfs/dbraw/zinc/33/96/15/601339615.db2.gz MTJMEMIVUAVXCX-SNVBAGLBSA-N -1 0 332.356 3.980 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OCc1csc([C@H](C)OC)n1 ZINC000831975271 601344589 /nfs/dbraw/zinc/34/45/89/601344589.db2.gz DGAFTEFMNUUKLL-ZRQQLDRUSA-N -1 0 349.408 3.536 20 0 EHADRM O=C([O-])c1cccc(OCc2noc(-c3coc4ccccc43)n2)c1 ZINC000833332087 601364871 /nfs/dbraw/zinc/36/48/71/601364871.db2.gz HYZBZOPPTHMTEW-UHFFFAOYSA-N -1 0 336.303 3.760 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=S)Nc1ccc2c(c1)CCC2 ZINC000819626129 601367044 /nfs/dbraw/zinc/36/70/44/601367044.db2.gz KABWQBCZACNAMX-UHFFFAOYSA-N -1 0 326.421 3.611 20 0 EHADRM O=C([O-])c1cccc(OCc2noc(/C=C/c3ccccc3F)n2)c1 ZINC000833333302 601367557 /nfs/dbraw/zinc/36/75/57/601367557.db2.gz TYBZAUFOWCRVNQ-CMDGGOBGSA-N -1 0 340.310 3.656 20 0 EHADRM COc1cc(OC)c(NCc2cc(C(=O)[O-])oc2C)cc1Cl ZINC000318214878 601389996 /nfs/dbraw/zinc/38/99/96/601389996.db2.gz DWQYGDIHKQMMPP-UHFFFAOYSA-N -1 0 325.748 3.569 20 0 EHADRM CCCC(=O)Nc1cccc(NCc2cc(C(=O)[O-])oc2C)c1C ZINC000829184022 601390674 /nfs/dbraw/zinc/39/06/74/601390674.db2.gz FCSXEEOTTWDHNC-UHFFFAOYSA-N -1 0 330.384 3.945 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000237237814 601391535 /nfs/dbraw/zinc/39/15/35/601391535.db2.gz BDMYMEKCSYBRNS-LLVKDONJSA-N -1 0 331.343 3.665 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1ccc(F)cc1OC(F)F ZINC000830379256 601391937 /nfs/dbraw/zinc/39/19/37/601391937.db2.gz OVVFMDFLHFQPIZ-UHFFFAOYSA-N -1 0 329.274 3.893 20 0 EHADRM O=C([O-])c1nn(CN2CCC[C@@H]2c2cccs2)c2ccccc21 ZINC000833347288 601396677 /nfs/dbraw/zinc/39/66/77/601396677.db2.gz XEAATCKQQAEQRN-CQSZACIVSA-N -1 0 327.409 3.591 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000479576942 601400720 /nfs/dbraw/zinc/40/07/20/601400720.db2.gz HSWHKNCYFIAFAL-LLVKDONJSA-N -1 0 331.343 3.665 20 0 EHADRM Cc1cc(CSc2ncccc2Br)oc1C(=O)[O-] ZINC000079421736 601407741 /nfs/dbraw/zinc/40/77/41/601407741.db2.gz ITCHFOGPKPBOTL-UHFFFAOYSA-N -1 0 328.187 3.736 20 0 EHADRM C/C(=C\COC(=O)CCc1ncc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC000825765110 601414192 /nfs/dbraw/zinc/41/41/92/601414192.db2.gz MHMKUPQDOUIGJY-DHZHZOJOSA-N -1 0 349.770 3.502 20 0 EHADRM CC[C@@H](NC(=O)NCC1(C(=O)[O-])CCCC1)c1ccc(Cl)s1 ZINC000828951771 601420387 /nfs/dbraw/zinc/42/03/87/601420387.db2.gz REAFSSUYWQYGDO-SNVBAGLBSA-N -1 0 344.864 3.797 20 0 EHADRM O=C([O-])[C@@H](Nc1ccc(OCC(F)F)cc1)c1ccccc1F ZINC000833171480 601433816 /nfs/dbraw/zinc/43/38/16/601433816.db2.gz ZBVMQSHSWVPLOK-HNNXBMFYSA-N -1 0 325.286 3.707 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)Cc2coc3cc(F)ccc23)cc1 ZINC000833238292 601437370 /nfs/dbraw/zinc/43/73/70/601437370.db2.gz IRKQBNODMBAFPD-UHFFFAOYSA-N -1 0 341.338 3.770 20 0 EHADRM Cc1oc(COC(=O)[C@H](C)c2ccc(Cl)s2)cc1C(=O)[O-] ZINC000833025964 601442194 /nfs/dbraw/zinc/44/21/94/601442194.db2.gz BCQSSBPUYWLSLD-SSDOTTSWSA-N -1 0 328.773 3.848 20 0 EHADRM O=C([O-])c1ccc(NCc2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000833320729 601445137 /nfs/dbraw/zinc/44/51/37/601445137.db2.gz CIZSMGLINBNLCI-UHFFFAOYSA-N -1 0 329.743 3.700 20 0 EHADRM C[C@H](C(=O)Nc1ccc(F)cc1C(=O)[O-])c1ccc(Cl)s1 ZINC000826012208 601446991 /nfs/dbraw/zinc/44/69/91/601446991.db2.gz GFSZUZPWRBZFHR-ZETCQYMHSA-N -1 0 327.764 3.981 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)c1cc(Cl)ccc1F ZINC000830388745 601459347 /nfs/dbraw/zinc/45/93/47/601459347.db2.gz IBQWQLHORWNRAI-UHFFFAOYSA-N -1 0 326.707 3.690 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)[C@H](SC)c1ccccc1 ZINC000830379081 601466673 /nfs/dbraw/zinc/46/66/73/601466673.db2.gz IVTREDFBGVIPOX-OAHLLOKOSA-N -1 0 334.393 3.688 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)[C@H]1CCSc2ccccc21 ZINC000830384270 601467054 /nfs/dbraw/zinc/46/70/54/601467054.db2.gz MAXYYRPJYLPVMF-ZDUSSCGKSA-N -1 0 346.404 3.863 20 0 EHADRM O=C([O-])c1cccc(-c2noc(Cc3coc4cc(F)ccc34)n2)c1 ZINC000833327283 601473085 /nfs/dbraw/zinc/47/30/85/601473085.db2.gz FTVFQWRWPCLPNE-UHFFFAOYSA-N -1 0 338.294 3.911 20 0 EHADRM COc1ccc([C@H](C)CC(=O)O[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000832220838 601474485 /nfs/dbraw/zinc/47/44/85/601474485.db2.gz JEPXTTKTGDXGHE-ACJLOTCBSA-N -1 0 328.364 3.558 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)C[C@@H](C)c1ccc(OC)cc1 ZINC000830384616 601475262 /nfs/dbraw/zinc/47/52/62/601475262.db2.gz XFKYNJOHPBUMSB-GFCCVEGCSA-N -1 0 346.379 3.786 20 0 EHADRM CC(C)Oc1ccc(NC(=O)NC2(CC(=O)[O-])CCC2)cc1Cl ZINC000649537773 601477088 /nfs/dbraw/zinc/47/70/88/601477088.db2.gz OYRXIKDOAYPFCI-UHFFFAOYSA-N -1 0 340.807 3.646 20 0 EHADRM COc1cccc([C@H](C)CC(=O)O[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000832527810 601483678 /nfs/dbraw/zinc/48/36/78/601483678.db2.gz AVOWHAKWFMEUFF-FZKQIMNGSA-N -1 0 328.364 3.558 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000832528743 601484071 /nfs/dbraw/zinc/48/40/71/601484071.db2.gz PNSRAZHORLDQRU-SGTLLEGYSA-N -1 0 346.354 3.697 20 0 EHADRM CCOc1ccc(NC(=O)N2CCC(CCC(=O)[O-])CC2)c(C)c1 ZINC000656602056 601485353 /nfs/dbraw/zinc/48/53/53/601485353.db2.gz UGKAUIWJZDPXLR-UHFFFAOYSA-N -1 0 334.416 3.502 20 0 EHADRM CC[C@@H](C)Oc1ccc(NC(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000656602668 601485599 /nfs/dbraw/zinc/48/55/99/601485599.db2.gz USEDKABKGCDSAI-CQSZACIVSA-N -1 0 348.443 3.973 20 0 EHADRM C[C@H](CC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-])c1cccc(F)c1 ZINC000262555528 601496134 /nfs/dbraw/zinc/49/61/34/601496134.db2.gz WIRXDSXLIXOWSE-BFUOFWGJSA-N -1 0 341.382 3.530 20 0 EHADRM Cc1ccc(/C=C\CC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000832928533 601500583 /nfs/dbraw/zinc/50/05/83/601500583.db2.gz UCCKIIDOZMQOAH-KVLZDYKBSA-N -1 0 341.382 3.870 20 0 EHADRM Cc1ccc(/C=C/CC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000832928530 601500585 /nfs/dbraw/zinc/50/05/85/601500585.db2.gz UCCKIIDOZMQOAH-DCKQQPRJSA-N -1 0 341.382 3.870 20 0 EHADRM Cc1ccc(/C=C\CC(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000832928769 601501379 /nfs/dbraw/zinc/50/13/79/601501379.db2.gz WIYVKMRDJDQLSI-ZRHASKPBSA-N -1 0 337.419 3.691 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(CCC(F)(F)F)c2)cn1 ZINC000440690387 601506854 /nfs/dbraw/zinc/50/68/54/601506854.db2.gz DMJVGFNICINBPU-UHFFFAOYSA-N -1 0 338.285 3.527 20 0 EHADRM CC(C)C(=O)Nc1ccc(OC(=O)c2ccccc2NC(=O)[O-])cc1 ZINC000826658696 601517749 /nfs/dbraw/zinc/51/77/49/601517749.db2.gz WONBHPQEKGNEAH-UHFFFAOYSA-N -1 0 342.351 3.590 20 0 EHADRM Cc1cc(C(=O)Nc2ccccc2Cl)cc(C)c1OCC(=O)[O-] ZINC000237798988 601525152 /nfs/dbraw/zinc/52/51/52/601525152.db2.gz AKQINXSOKJDDFD-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)C2(Cc3ccccc3)CC2)c1 ZINC000833317031 601529144 /nfs/dbraw/zinc/52/91/44/601529144.db2.gz LAERCWLXGFLOJP-UHFFFAOYSA-N -1 0 329.783 4.000 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCCc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000767072570 601529874 /nfs/dbraw/zinc/52/98/74/601529874.db2.gz HSSTUUZZBRVJRR-AWEZNQCLSA-N -1 0 344.238 3.686 20 0 EHADRM CC[C@](NC(=O)/C=C\SCc1ccco1)(C(=O)[O-])c1ccccc1 ZINC000492831797 601571909 /nfs/dbraw/zinc/57/19/09/601571909.db2.gz BPDJCNLZTBPZDS-SIKDUDHDSA-N -1 0 345.420 3.533 20 0 EHADRM CSc1ccccc1C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000507340116 601587008 /nfs/dbraw/zinc/58/70/08/601587008.db2.gz LIUBYVYXLMWAJZ-CQSZACIVSA-N -1 0 335.812 3.618 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000767186164 601601150 /nfs/dbraw/zinc/60/11/50/601601150.db2.gz QDGORDFVMAWFPX-UHFFFAOYSA-N -1 0 347.436 3.671 20 0 EHADRM Cc1ccccc1Cc1nc(CNc2cccc(NC(=O)[O-])c2)no1 ZINC000832978273 601606454 /nfs/dbraw/zinc/60/64/54/601606454.db2.gz WMJYGAXCOCPQOF-UHFFFAOYSA-N -1 0 338.367 3.671 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)C1(Cc2ccccc2)CC1)c1ccccc1 ZINC000826025637 601618166 /nfs/dbraw/zinc/61/81/66/601618166.db2.gz DQNBPHVYJMFQLQ-YJBOKZPZSA-N -1 0 337.419 3.588 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Nc1cccc2[nH]ccc21)c1ccccc1 ZINC000826039717 601622352 /nfs/dbraw/zinc/62/23/52/601622352.db2.gz XZFODHYYYWZIIL-PXAZEXFGSA-N -1 0 337.379 3.751 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)N2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000833263399 601624160 /nfs/dbraw/zinc/62/41/60/601624160.db2.gz NOMMWNPFHHMWKO-HOCLYGCPSA-N -1 0 348.468 3.801 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2c[nH]nc2-c2cccc(Cl)c2)cc1 ZINC000766737806 601635094 /nfs/dbraw/zinc/63/50/94/601635094.db2.gz CMVQNXACWPAARN-UHFFFAOYSA-N -1 0 341.754 3.681 20 0 EHADRM CC(C)C(=O)Nc1cccc(OCc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000826669252 601636018 /nfs/dbraw/zinc/63/60/18/601636018.db2.gz DLJHPFCCCZJEQP-UHFFFAOYSA-N -1 0 331.343 3.697 20 0 EHADRM Cn1cc(CCC(=O)Nc2cc(C(=O)[O-])ccc2F)c2ccccc21 ZINC000237771845 601644717 /nfs/dbraw/zinc/64/47/17/601644717.db2.gz OQMNRHDDXHHRHS-UHFFFAOYSA-N -1 0 340.354 3.587 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)[C@H]2C[C@@H]2Cc2ccccc2)c1 ZINC000833317626 601650703 /nfs/dbraw/zinc/65/07/03/601650703.db2.gz ZGIPMDRHTYNAJL-KBPBESRZSA-N -1 0 329.783 3.856 20 0 EHADRM CC[C@](C)(NC(=O)c1cc(-c2ccc(F)cc2)c(C)s1)C(=O)[O-] ZINC000262236407 601672266 /nfs/dbraw/zinc/67/22/66/601672266.db2.gz XLNBJMYEGXFTDI-KRWDZBQOSA-N -1 0 335.400 3.846 20 0 EHADRM CCCCC[C@H](C(=O)N(C)c1nc(CC(=O)[O-])cs1)C(C)C ZINC000829305387 601678091 /nfs/dbraw/zinc/67/80/91/601678091.db2.gz VWKBYFXHJNZTRI-ZDUSSCGKSA-N -1 0 326.462 3.586 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2C[C@H]2Cc2ccccc2)cc1Cl ZINC000833319497 601679037 /nfs/dbraw/zinc/67/90/37/601679037.db2.gz WROJLLXMZMJRHI-DOMZBBRYSA-N -1 0 329.783 3.856 20 0 EHADRM O=C([O-])[C@@H](OC(=O)C1(Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000833171386 601684817 /nfs/dbraw/zinc/68/48/17/601684817.db2.gz WSQRXHVPROGHIT-INIZCTEOSA-N -1 0 328.339 3.518 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2ccc(-c3nccs3)cc2)CCCC1 ZINC000833135717 601686273 /nfs/dbraw/zinc/68/62/73/601686273.db2.gz HNJMFBMHGPSEHO-UHFFFAOYSA-N -1 0 345.424 3.577 20 0 EHADRM CCN(C(=O)NCC(C)(C)C(=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000829596693 601686687 /nfs/dbraw/zinc/68/66/87/601686687.db2.gz APFGYIPODXZMSV-GFCCVEGCSA-N -1 0 332.400 3.636 20 0 EHADRM Cc1ccc(OCCCC(=O)OCc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000832952447 601702712 /nfs/dbraw/zinc/70/27/12/601702712.db2.gz LWOFRJPBSJZFGP-UHFFFAOYSA-N -1 0 346.354 3.735 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)Cc1c[nH]c2ccccc12 ZINC000833032069 601703529 /nfs/dbraw/zinc/70/35/29/601703529.db2.gz SNPXKOIBTPLWLV-UHFFFAOYSA-N -1 0 329.377 3.522 20 0 EHADRM O=C([O-])c1ccc(COC(=O)CCc2ccccc2Cl)cc1F ZINC000833102520 601707023 /nfs/dbraw/zinc/70/70/23/601707023.db2.gz KCFPHQVATLCIOU-UHFFFAOYSA-N -1 0 336.746 3.853 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)Cc1cccc2cccnc21 ZINC000833031373 601714443 /nfs/dbraw/zinc/71/44/43/601714443.db2.gz JRZJHZLVZGICJP-UHFFFAOYSA-N -1 0 341.388 3.589 20 0 EHADRM CC(C)Oc1cccc(CC(=O)OCc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000827058546 601725908 /nfs/dbraw/zinc/72/59/08/601725908.db2.gz JEMPXHMTQPCBOC-UHFFFAOYSA-N -1 0 346.354 3.597 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1cnc2ccsc2c1 ZINC000833031837 601732215 /nfs/dbraw/zinc/73/22/15/601732215.db2.gz SMNRCZCYDYSOTR-UHFFFAOYSA-N -1 0 333.390 3.721 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccc(F)c(F)c1F)c1cccc(Cl)c1 ZINC000833351323 601734648 /nfs/dbraw/zinc/73/46/48/601734648.db2.gz PUGJWBHGXYAUOZ-CYBMUJFWSA-N -1 0 344.672 3.740 20 0 EHADRM O=C([O-])[C@H](NC(=O)CC/C=C\c1ccccc1)c1ccccc1F ZINC000678985903 601738997 /nfs/dbraw/zinc/73/89/97/601738997.db2.gz CODCSKGIMBLOAM-BQTUVJDFSA-N -1 0 327.355 3.561 20 0 EHADRM O=C([O-])CCCc1csc(NC(=O)[C@@H]2CCCc3ccccc32)n1 ZINC000391661287 601747404 /nfs/dbraw/zinc/74/74/04/601747404.db2.gz FGFWVXDPUHGIDV-OAHLLOKOSA-N -1 0 344.436 3.609 20 0 EHADRM CC[C@@H](NC(=O)c1cc(-c2cccs2)nc2ccccc21)C(=O)[O-] ZINC000761686832 601750450 /nfs/dbraw/zinc/75/04/50/601750450.db2.gz DRPWLCPZYTWRRF-CYBMUJFWSA-N -1 0 340.404 3.556 20 0 EHADRM CC[C@H](NC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC000828971413 601751438 /nfs/dbraw/zinc/75/14/38/601751438.db2.gz DNNXVDPQWQGVKX-INIZCTEOSA-N -1 0 347.798 3.512 20 0 EHADRM CC[C@@H](NC(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC000767101420 601754431 /nfs/dbraw/zinc/75/44/31/601754431.db2.gz YAEKVWHXSOBTLO-QQBNSCQMSA-N -1 0 333.384 3.547 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2ccccc2CCC(F)(F)F)CCC1 ZINC000649541325 601758953 /nfs/dbraw/zinc/75/89/53/601758953.db2.gz XPBKDGCEWYXACY-UHFFFAOYSA-N -1 0 344.333 3.700 20 0 EHADRM C[C@]1(c2ccccc2)CCN(C(=O)Nc2cc(C(=O)[O-])ccc2F)C1 ZINC000828128339 601778997 /nfs/dbraw/zinc/77/89/97/601778997.db2.gz QKXNEXVOJVXSFD-IBGZPJMESA-N -1 0 342.370 3.719 20 0 EHADRM CN(C)C(=O)Sc1cccc(CNc2cc(C(=O)[O-])ccc2F)c1 ZINC000830569867 601787492 /nfs/dbraw/zinc/78/74/92/601787492.db2.gz UQBKCPOZFAFAIQ-UHFFFAOYSA-N -1 0 348.399 3.910 20 0 EHADRM Cc1ccc2nc(CNc3cc(C(=O)[O-])ccc3OC(C)C)cn2c1 ZINC000832959073 601789478 /nfs/dbraw/zinc/78/94/78/601789478.db2.gz BXCAEGJAQRLAFI-UHFFFAOYSA-N -1 0 339.395 3.740 20 0 EHADRM Cc1ccc(NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c(C)n1 ZINC000391799978 601799229 /nfs/dbraw/zinc/79/92/29/601799229.db2.gz KQJPLHXETMKYBZ-UHFFFAOYSA-N -1 0 327.384 3.705 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)Nc2cc(C(=O)[O-])ccc2F)c1 ZINC000237305040 601801008 /nfs/dbraw/zinc/80/10/08/601801008.db2.gz LVALQTCYPFASSZ-NSHDSACASA-N -1 0 331.343 3.665 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)Nc2ccc(F)cc2C(=O)[O-])c1 ZINC000832528404 601801902 /nfs/dbraw/zinc/80/19/02/601801902.db2.gz KGCATXSFHMTDMP-NSHDSACASA-N -1 0 331.343 3.665 20 0 EHADRM O=C([O-])[C@@H](c1ccc(F)cc1)N1CC(c2nc3ccccc3s2)C1 ZINC000833172393 601802022 /nfs/dbraw/zinc/80/20/22/601802022.db2.gz UNNFLMQQJVBBAF-MRXNPFEDSA-N -1 0 342.395 3.661 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)Nc2cccc(NC(=O)[O-])c2)c1 ZINC000832529320 601802025 /nfs/dbraw/zinc/80/20/25/601802025.db2.gz YYLRMFVVUFJMPI-LBPRGKRZSA-N -1 0 328.368 3.917 20 0 EHADRM C[C@H]1CCC[C@H](OCC(=O)Nc2scc(C3CC3)c2C(=O)[O-])C1 ZINC000828245506 601809824 /nfs/dbraw/zinc/80/98/24/601809824.db2.gz LCYHBIVXGDPBAX-JQWIXIFHSA-N -1 0 337.441 3.858 20 0 EHADRM O=C([O-])c1c(C2CC2)csc1NC(=O)/C=C\c1cncc(F)c1 ZINC000738453435 601809841 /nfs/dbraw/zinc/80/98/41/601809841.db2.gz KVDPNPXNCUCWEY-RJRFIUFISA-N -1 0 332.356 3.510 20 0 EHADRM O=C([O-])c1c(C2CC2)csc1NC(=O)c1csc(C2CC2)n1 ZINC000833162331 601810474 /nfs/dbraw/zinc/81/04/74/601810474.db2.gz KJGJWJOAULKHDN-UHFFFAOYSA-N -1 0 334.422 3.910 20 0 EHADRM O=C([O-])c1cccc(NCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000833331330 601812506 /nfs/dbraw/zinc/81/25/06/601812506.db2.gz BPTKPPYQPVAIAL-UHFFFAOYSA-N -1 0 329.743 3.700 20 0 EHADRM CCCCCOc1ccc(C(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000540783310 601816529 /nfs/dbraw/zinc/81/65/29/601816529.db2.gz WUVQOYOTLMALQV-UHFFFAOYSA-N -1 0 347.455 3.973 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000659774791 601816807 /nfs/dbraw/zinc/81/68/07/601816807.db2.gz PGMRZGYATNPXCE-AWEZNQCLSA-N -1 0 333.428 3.581 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2cc3cc(F)ccc3s2)CC1 ZINC000321422596 601818035 /nfs/dbraw/zinc/81/80/35/601818035.db2.gz KSNUVWFARSCJLP-UHFFFAOYSA-N -1 0 335.400 3.757 20 0 EHADRM Cc1cc(C)c(/C=C/C(=O)N2CCC(CCC(=O)[O-])CC2)cc1C ZINC000777372662 601818441 /nfs/dbraw/zinc/81/84/41/601818441.db2.gz LXMNGSUOHUFVKB-AATRIKPKSA-N -1 0 329.440 3.728 20 0 EHADRM O=C([O-])CCC1CCN(c2ncnc3sc4c(c32)CCCC4)CC1 ZINC000563888610 601830626 /nfs/dbraw/zinc/83/06/26/601830626.db2.gz CCWMGWOWRGCUIY-UHFFFAOYSA-N -1 0 345.468 3.651 20 0 EHADRM Cn1c(SCc2ccc(C(=O)[O-])s2)nnc1-c1cccs1 ZINC000833039404 601845892 /nfs/dbraw/zinc/84/58/92/601845892.db2.gz JTYWLRNDBWRRGN-UHFFFAOYSA-N -1 0 337.451 3.596 20 0 EHADRM CC[C@@H](NC(=O)NCc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000828951243 601848903 /nfs/dbraw/zinc/84/89/03/601848903.db2.gz HITQHDQCXKRVHN-MRXNPFEDSA-N -1 0 346.814 3.989 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)NCc2ccc3ccccc3c2)c1 ZINC000833146142 601868862 /nfs/dbraw/zinc/86/88/62/601868862.db2.gz YMBJVKBARCCHCN-UHFFFAOYSA-N -1 0 334.375 3.537 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)[C@@H](CCC)NC(=O)[O-] ZINC000739364691 601872352 /nfs/dbraw/zinc/87/23/52/601872352.db2.gz PDGQZWKGKRRKSM-LLVKDONJSA-N -1 0 328.796 3.504 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1 ZINC000833263346 601872749 /nfs/dbraw/zinc/87/27/49/601872749.db2.gz MPALNGNXKBWDNT-CVEARBPZSA-N -1 0 346.379 3.712 20 0 EHADRM CC[C@@H](C(=O)Oc1ccc(SCC(=O)[O-])cc1)c1ccccc1 ZINC000828604320 601873254 /nfs/dbraw/zinc/87/32/54/601873254.db2.gz ZYARELUVBDTNKU-MRXNPFEDSA-N -1 0 330.405 3.963 20 0 EHADRM C[C@H](C(=O)Oc1ccc(SCC(=O)[O-])cc1)c1ccccc1F ZINC000826071061 601876391 /nfs/dbraw/zinc/87/63/91/601876391.db2.gz HMEMCPSXBAVUPB-NSHDSACASA-N -1 0 334.368 3.712 20 0 EHADRM CC1(C)CCCC[C@H]1NC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000828065128 601881121 /nfs/dbraw/zinc/88/11/21/601881121.db2.gz OCPLTTUQFFDTGZ-OAHLLOKOSA-N -1 0 333.432 3.587 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)CCN(C(=O)[O-])C(C)C)cc2)oc1C ZINC000740207956 601884746 /nfs/dbraw/zinc/88/47/46/601884746.db2.gz LNSKTXYYNKPMGQ-UHFFFAOYSA-N -1 0 345.399 3.675 20 0 EHADRM O=C([O-])c1ccc(CSc2n[nH]c(-c3ccccc3F)n2)s1 ZINC000833316771 601890702 /nfs/dbraw/zinc/89/07/02/601890702.db2.gz DQYAFNWDKSXIIL-UHFFFAOYSA-N -1 0 335.385 3.663 20 0 EHADRM CC[C@@H](C)Oc1ccc(NC(=O)[C@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000739248769 601899180 /nfs/dbraw/zinc/89/91/80/601899180.db2.gz KDFHEURYEZOQPL-CXAGYDPISA-N -1 0 342.395 3.811 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)c1cnc(-c2ccco2)s1 ZINC000262163679 601901871 /nfs/dbraw/zinc/90/18/71/601901871.db2.gz VODSKLSFEPRPBR-VXGBXAGGSA-N -1 0 348.424 3.557 20 0 EHADRM Cc1oc(CSCC(=O)N(C)[C@H]2CCCC[C@H]2C)cc1C(=O)[O-] ZINC000833026315 601912305 /nfs/dbraw/zinc/91/23/05/601912305.db2.gz GEOYLBRBQALNCO-ABAIWWIYSA-N -1 0 339.457 3.557 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)c1nc(Cl)ccc1Cl ZINC000833130660 601915741 /nfs/dbraw/zinc/91/57/41/601915741.db2.gz UKFXTYGNPALCII-MWLCHTKSSA-N -1 0 345.226 3.542 20 0 EHADRM O=C([O-])c1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1ccsc1)CC3 ZINC000833325167 601916799 /nfs/dbraw/zinc/91/67/99/601916799.db2.gz LBLSYYCCCLLDRA-UHFFFAOYSA-N -1 0 341.392 3.518 20 0 EHADRM O=C([O-])N1CCC[C@H](CNc2ccc(C(F)(F)F)c(Cl)n2)C1 ZINC000740511151 601918118 /nfs/dbraw/zinc/91/81/18/601918118.db2.gz DQRPFMLPDDLNSQ-MRVPVSSYSA-N -1 0 337.729 3.556 20 0 EHADRM CC[C@H](Oc1ccccc1Cl)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000539570826 601918239 /nfs/dbraw/zinc/91/82/39/601918239.db2.gz UJILZYJCMWVJQN-HNNXBMFYSA-N -1 0 347.798 3.512 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2ccc(Oc3ccccc3)nc2)c1 ZINC000344408006 601921942 /nfs/dbraw/zinc/92/19/42/601921942.db2.gz LAVRNGQELZTCAR-UHFFFAOYSA-N -1 0 348.358 3.502 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CC3(CCC3)Oc3ccccc32)cc1 ZINC000833310189 601941716 /nfs/dbraw/zinc/94/17/16/601941716.db2.gz FAGIGQGIBFOFFA-MRXNPFEDSA-N -1 0 337.375 3.561 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N[C@H]2COc3c2cccc3Cl)cc1 ZINC000833289782 601941934 /nfs/dbraw/zinc/94/19/34/601941934.db2.gz KOOMEHQYWUOZSV-ZDUSSCGKSA-N -1 0 347.758 3.685 20 0 EHADRM O=C([O-])c1cnc(/C=C\c2ccc(Br)c(F)c2)s1 ZINC000477381637 601950850 /nfs/dbraw/zinc/95/08/50/601950850.db2.gz NEQSFJGTJSPLJE-RQOWECAXSA-N -1 0 328.162 3.913 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(CNC(=O)[O-])cc2)c(Cl)cc1F ZINC000832864840 601959937 /nfs/dbraw/zinc/95/99/37/601959937.db2.gz CONHRRLMXDLRBX-UHFFFAOYSA-N -1 0 336.750 3.807 20 0 EHADRM Cc1oc(-c2cccs2)nc1CNc1cccc(CC(=O)[O-])c1 ZINC000819051289 601967573 /nfs/dbraw/zinc/96/75/73/601967573.db2.gz AXRZMCDIERJDMW-UHFFFAOYSA-N -1 0 328.393 3.951 20 0 EHADRM Cc1cccc(NC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000832970912 601980348 /nfs/dbraw/zinc/98/03/48/601980348.db2.gz MLMMIWSKWSVDHR-UHFFFAOYSA-N -1 0 339.273 3.751 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cccc(Cl)c1F)c1ccc(F)cc1 ZINC000833200456 601990247 /nfs/dbraw/zinc/99/02/47/601990247.db2.gz OKPBXICRYQTFPR-ZDUSSCGKSA-N -1 0 339.725 3.564 20 0 EHADRM O=C([O-])c1ccc(COC(=O)Cc2ccc3ccccc3c2)s1 ZINC000833117761 601999884 /nfs/dbraw/zinc/99/98/84/601999884.db2.gz XELBFKSTNPVBGK-UHFFFAOYSA-N -1 0 326.373 3.885 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000833314855 602004770 /nfs/dbraw/zinc/00/47/70/602004770.db2.gz KSKYFWPUSZGIOM-RKDXNWHRSA-N -1 0 336.331 3.858 20 0 EHADRM O=C([O-])c1ccc(COC(=O)Cc2ccccc2C(F)(F)F)s1 ZINC000833118261 602008706 /nfs/dbraw/zinc/00/87/06/602008706.db2.gz CWAJMWNILREEJC-UHFFFAOYSA-N -1 0 344.310 3.751 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@H]2SCCc3sccc32)s1 ZINC000833316237 602011589 /nfs/dbraw/zinc/01/15/89/602011589.db2.gz WIVZKJLDPZJYAR-LBPRGKRZSA-N -1 0 340.447 3.582 20 0 EHADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCCN1C(=O)c1csc2ccccc12 ZINC000738998253 602015817 /nfs/dbraw/zinc/01/58/17/602015817.db2.gz CYTJDKLRIUHUEY-RISCZKNCSA-N -1 0 332.425 3.552 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccccc2SCc2ccco2)C1 ZINC000678982096 602016991 /nfs/dbraw/zinc/01/69/91/602016991.db2.gz CPICHKCMGNMHME-GOSISDBHSA-N -1 0 345.420 3.509 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N1CCCC[C@H]1[C@H](C)NC(=O)[O-] ZINC000740035075 602017876 /nfs/dbraw/zinc/01/78/76/602017876.db2.gz FXZWJVGZTOALOO-FZMZJTMJSA-N -1 0 348.374 3.531 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)Nc2ccccc2CCC(F)(F)F)C1 ZINC000262987365 602021622 /nfs/dbraw/zinc/02/16/22/602021622.db2.gz CZPIKZYMKAGQQS-OAHLLOKOSA-N -1 0 344.333 3.510 20 0 EHADRM Cc1nc2ccccc2cc1C(=O)NCCCCCCCC(=O)[O-] ZINC000191181927 602022550 /nfs/dbraw/zinc/02/25/50/602022550.db2.gz HMNMZQZZBXVETN-UHFFFAOYSA-N -1 0 328.412 3.698 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cccc(Cl)c1F)c1ccccc1 ZINC000826044551 602024810 /nfs/dbraw/zinc/02/48/10/602024810.db2.gz IDVPYQZQWJAZMR-ZUZCIYMTSA-N -1 0 335.762 3.671 20 0 EHADRM Cc1cc(N(C)C)ccc1NC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000832888051 602029940 /nfs/dbraw/zinc/02/99/40/602029940.db2.gz CSWQGGIIBOUYNU-DOTOQJQBSA-N -1 0 347.459 3.606 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)c1[nH]c2ccccc2c1Cl ZINC000262134125 602050070 /nfs/dbraw/zinc/05/00/70/602050070.db2.gz QYZQXVRJHYSCJK-OCCSQVGLSA-N -1 0 348.830 3.975 20 0 EHADRM CCc1cc(Br)ccc1NC(=O)c1cccc(C(=O)[O-])c1 ZINC000128355704 602061132 /nfs/dbraw/zinc/06/11/32/602061132.db2.gz MFNSVRBCQQSVOX-UHFFFAOYSA-N -1 0 348.196 3.962 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2ccc(O)cc2)cc(C(F)(F)F)c1 ZINC000833284293 602062118 /nfs/dbraw/zinc/06/21/18/602062118.db2.gz TYGHCVGREMXXLY-UHFFFAOYSA-N -1 0 340.257 3.753 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)c1 ZINC000553708101 602071251 /nfs/dbraw/zinc/07/12/51/602071251.db2.gz BOFOQCKQQXCAGO-UHFFFAOYSA-N -1 0 341.260 3.724 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000532695850 602074800 /nfs/dbraw/zinc/07/48/00/602074800.db2.gz GRWRIJOUIWCWAJ-OLMNPRSZSA-N -1 0 347.455 3.730 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)C(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000236801701 602075040 /nfs/dbraw/zinc/07/50/40/602075040.db2.gz SGAAFEGQDWQLDW-AWEZNQCLSA-N -1 0 341.407 3.843 20 0 EHADRM CC(C)CO[C@@H](C)C(=O)O[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000826895068 602082609 /nfs/dbraw/zinc/08/26/09/602082609.db2.gz BJCSVSRMFZLIBT-TVQRCGJNSA-N -1 0 349.210 3.723 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccnc(F)c1)c1cc(Cl)cc(Cl)c1 ZINC000833352106 602085875 /nfs/dbraw/zinc/08/58/75/602085875.db2.gz ZBMBETLQMBEUQH-GFCCVEGCSA-N -1 0 344.125 3.510 20 0 EHADRM CCOCCC1(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CCCC1 ZINC000829989740 602111085 /nfs/dbraw/zinc/11/10/85/602111085.db2.gz LNRUUICHFMFXRN-UHFFFAOYSA-N -1 0 341.354 3.589 20 0 EHADRM CCc1cccc2c(C3CCN(C(=O)[C@H](C)CC(=O)[O-])CC3)c[nH]c21 ZINC000830269998 602116001 /nfs/dbraw/zinc/11/60/01/602116001.db2.gz ITQKDKJTTQTMFG-CYBMUJFWSA-N -1 0 342.439 3.547 20 0 EHADRM Cc1ncc(CNc2ccc(OCC(=O)[O-])c3ccccc23)s1 ZINC000833008797 602116034 /nfs/dbraw/zinc/11/60/34/602116034.db2.gz VZHOQPQYMXPGSJ-UHFFFAOYSA-N -1 0 328.393 3.680 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000827272622 602121752 /nfs/dbraw/zinc/12/17/52/602121752.db2.gz OTPBCCCHHKPFOO-MEBBXXQBSA-N -1 0 337.828 3.718 20 0 EHADRM CCC(=O)c1ccc(C(=O)Oc2ccc(Cl)cc2C(=O)[O-])cc1 ZINC000828574390 602121861 /nfs/dbraw/zinc/12/18/61/602121861.db2.gz PCAUAZVJUQEWQP-UHFFFAOYSA-N -1 0 332.739 3.850 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000829009634 602122870 /nfs/dbraw/zinc/12/28/70/602122870.db2.gz JCERHGVAYQUVBG-MRXNPFEDSA-N -1 0 334.416 3.867 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N[C@@H](c1ccc(C(C)(C)C)cc1)C(F)(F)F ZINC000827274956 602123108 /nfs/dbraw/zinc/12/31/08/602123108.db2.gz YVLZOKLQESEYMC-YGRLFVJLSA-N -1 0 345.361 3.815 20 0 EHADRM Cc1cc(Cl)cc(C(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)c1 ZINC000832885952 602131750 /nfs/dbraw/zinc/13/17/50/602131750.db2.gz SVLLRLAYROXPIB-UHFFFAOYSA-N -1 0 336.800 3.612 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000827873877 602132492 /nfs/dbraw/zinc/13/24/92/602132492.db2.gz RXFIPVGDRSDPSE-AWEZNQCLSA-N -1 0 349.427 3.607 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N[C@H](C)c1ccccc1Oc1ccccc1 ZINC000827271496 602139571 /nfs/dbraw/zinc/13/95/71/602139571.db2.gz JINCASTZISNJPH-ZIAGYGMSSA-N -1 0 327.380 3.767 20 0 EHADRM Cc1cccc(Oc2ccccc2CNC(=O)[C@@H](C)CC(=O)[O-])c1 ZINC000832975303 602152576 /nfs/dbraw/zinc/15/25/76/602152576.db2.gz QQZLXRIIWUIAQS-AWEZNQCLSA-N -1 0 327.380 3.514 20 0 EHADRM Cc1ccc2c(CCC(=O)Nc3cc(C(=O)[O-])cs3)c[nH]c2c1 ZINC000832960132 602179770 /nfs/dbraw/zinc/17/97/70/602179770.db2.gz MVSXXAMGIVXUEW-UHFFFAOYSA-N -1 0 328.393 3.807 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2ccc(N3CCCCC3)cc2)c1 ZINC000833342669 602187104 /nfs/dbraw/zinc/18/71/04/602187104.db2.gz KYYYMHIPIDJVTE-UHFFFAOYSA-N -1 0 330.409 3.689 20 0 EHADRM CCn1c(SCc2ccc(C(=O)[O-])o2)nnc1-c1cccs1 ZINC000830415855 602191485 /nfs/dbraw/zinc/19/14/85/602191485.db2.gz CRUIVONMPANFSZ-UHFFFAOYSA-N -1 0 335.410 3.610 20 0 EHADRM C[C@@H](CC(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccccc1F ZINC000738890713 602199042 /nfs/dbraw/zinc/19/90/42/602199042.db2.gz JZNOKHMMOBYYKF-LBPRGKRZSA-N -1 0 330.359 3.726 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)CCOc2ccccc2Cl)c1 ZINC000740676487 602200486 /nfs/dbraw/zinc/20/04/86/602200486.db2.gz PEGNLJUANLHBEH-UHFFFAOYSA-N -1 0 348.786 3.515 20 0 EHADRM CC(C)[C@@H](C)CNC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000826681708 602228542 /nfs/dbraw/zinc/22/85/42/602228542.db2.gz SBFUCBSNOXYLHL-ZDUSSCGKSA-N -1 0 344.411 3.717 20 0 EHADRM Cc1ccc(-c2cccc(CNC(=O)c3cccc(C(=O)[O-])n3)c2)cc1 ZINC000832905920 602234124 /nfs/dbraw/zinc/23/41/24/602234124.db2.gz KXZYMUOCODGVPF-UHFFFAOYSA-N -1 0 346.386 3.685 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)Nc1cccc(F)c1)c1ccccc1 ZINC000826103938 602234248 /nfs/dbraw/zinc/23/42/48/602234248.db2.gz YKDPTUUYMOWFAL-HNNXBMFYSA-N -1 0 330.359 3.799 20 0 EHADRM Cc1cc(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])c2ccccc2n1 ZINC000740058273 602241803 /nfs/dbraw/zinc/24/18/03/602241803.db2.gz HIOZTGNAQGSNDF-UHFFFAOYSA-N -1 0 347.374 3.836 20 0 EHADRM CCCCC[C@H](NC(=O)N1CC[C@H](CNC(=O)[O-])C1)c1ccccc1 ZINC000739330182 602261194 /nfs/dbraw/zinc/26/11/94/602261194.db2.gz LHSFKJCUWOMYNO-WBVHZDCISA-N -1 0 347.459 3.607 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)c(C)o1 ZINC000237879730 602261567 /nfs/dbraw/zinc/26/15/67/602261567.db2.gz QPRAWLZXBLSHFX-UHFFFAOYSA-N -1 0 339.347 3.765 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000827874238 602264717 /nfs/dbraw/zinc/26/47/17/602264717.db2.gz XJOOKMNSTFPGNH-BLLLJJGKSA-N -1 0 338.375 3.623 20 0 EHADRM C[C@H](Cc1ccsc1)NC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000738948400 602276840 /nfs/dbraw/zinc/27/68/40/602276840.db2.gz ZAPRZTTZBFRZRA-LLVKDONJSA-N -1 0 345.424 3.541 20 0 EHADRM CCOCCC1(CNC(=O)Nc2ccc(C)c(C(=O)[O-])c2)CCCC1 ZINC000829994458 602280669 /nfs/dbraw/zinc/28/06/69/602280669.db2.gz MVOXMGVNEHEDIL-UHFFFAOYSA-N -1 0 348.443 3.802 20 0 EHADRM C[C@@H](c1ccccc1)N(C)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739056743 602281247 /nfs/dbraw/zinc/28/12/47/602281247.db2.gz FUCDLFCSYMSDMR-ZDUSSCGKSA-N -1 0 339.395 3.952 20 0 EHADRM CCC(CC)CC(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000190833034 602313788 /nfs/dbraw/zinc/31/37/88/602313788.db2.gz TVXPZZPTGLJRII-UHFFFAOYSA-N -1 0 327.371 3.594 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739961175 602320597 /nfs/dbraw/zinc/32/05/97/602320597.db2.gz SKCZOLALLKIZAY-ZDUSSCGKSA-N -1 0 342.395 3.595 20 0 EHADRM CC(C)N(CCC(=O)Nc1ccc(SC(F)F)cc1)C(=O)[O-] ZINC000738844513 602326919 /nfs/dbraw/zinc/32/69/19/602326919.db2.gz VANDMWQTFBLZDJ-UHFFFAOYSA-N -1 0 332.372 3.718 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N1CCc2cc(Cl)c(Cl)cc2[C@H]1C ZINC000827264194 602328343 /nfs/dbraw/zinc/32/83/43/602328343.db2.gz XHMCRKUOZMOILS-RKDXNWHRSA-N -1 0 330.211 3.550 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)c1cnc(-c2ccco2)s1 ZINC000740716057 602342183 /nfs/dbraw/zinc/34/21/83/602342183.db2.gz RATTYJMWPMPHBL-UHFFFAOYSA-N -1 0 329.337 3.745 20 0 EHADRM O=C([O-])c1ccc(CN2CCCC[C@@H]2c2nc3ccccc3o2)o1 ZINC000833313048 602342974 /nfs/dbraw/zinc/34/29/74/602342974.db2.gz MRXZMSYPQFAJQY-CQSZACIVSA-N -1 0 326.352 3.846 20 0 EHADRM CC(C)c1cccc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])n1 ZINC000827456430 602349778 /nfs/dbraw/zinc/34/97/78/602349778.db2.gz VZDSIIBXZNLJHV-OAHLLOKOSA-N -1 0 340.423 3.568 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCOc2ccc(Cl)cc2)cc1F ZINC000833102435 602355520 /nfs/dbraw/zinc/35/55/20/602355520.db2.gz DGAKQRPXJCNPED-UHFFFAOYSA-N -1 0 337.734 3.585 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1F ZINC000317839150 602358174 /nfs/dbraw/zinc/35/81/74/602358174.db2.gz QUWKSRDWKBUPDQ-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cc2ccccc2C(F)(F)F)cc1F ZINC000776647873 602361074 /nfs/dbraw/zinc/36/10/74/602361074.db2.gz VFODASUCYFWXHU-UHFFFAOYSA-N -1 0 341.260 3.724 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)Nc2cc(C(=O)[O-])n(C)c2)c1C ZINC000832969110 602366964 /nfs/dbraw/zinc/36/69/64/602366964.db2.gz UOVHUPIVVQNPLW-INIZCTEOSA-N -1 0 341.411 3.709 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCCCSc2ccccc2)cc1F ZINC000833139881 602376386 /nfs/dbraw/zinc/37/63/86/602376386.db2.gz MSNAYMUOPAKWGC-UHFFFAOYSA-N -1 0 348.399 3.828 20 0 EHADRM C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000827934500 602378197 /nfs/dbraw/zinc/37/81/97/602378197.db2.gz GWKFATUYCISHMF-JTQLQIEISA-N -1 0 334.322 3.888 20 0 EHADRM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000828890814 602378298 /nfs/dbraw/zinc/37/82/98/602378298.db2.gz MZVBPTUQLKPRJO-CYBMUJFWSA-N -1 0 349.818 3.520 20 0 EHADRM COc1ccc(CN(C)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1C ZINC000832310845 602389509 /nfs/dbraw/zinc/38/95/09/602389509.db2.gz JCFDQNSNPQYHTR-UHFFFAOYSA-N -1 0 346.358 3.505 20 0 EHADRM CN(CC1CCN(C(=O)Nc2cccc3ccccc32)CC1)C(=O)[O-] ZINC000739651245 602392241 /nfs/dbraw/zinc/39/22/41/602392241.db2.gz KDYOMEDQCUFFHQ-UHFFFAOYSA-N -1 0 341.411 3.694 20 0 EHADRM CC(C)N(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)C(=O)[O-] ZINC000738847925 602405807 /nfs/dbraw/zinc/40/58/07/602405807.db2.gz HNUODRALVGJIQC-UHFFFAOYSA-N -1 0 343.305 3.686 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc([C@@H](C)Oc2ccc(F)cc2)n1 ZINC000738815533 602406846 /nfs/dbraw/zinc/40/68/46/602406846.db2.gz HGJTVLACDRQRSB-MFKMUULPSA-N -1 0 337.351 3.704 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(C[C@@H](C)c2ccccc2F)n1 ZINC000738817665 602409015 /nfs/dbraw/zinc/40/90/15/602409015.db2.gz RYDOPLMRULJFES-BXUZGUMPSA-N -1 0 335.379 3.910 20 0 EHADRM Cc1cc2ccccc2n1Cc1nc([C@@H](CC(C)C)NC(=O)[O-])no1 ZINC000740098626 602410205 /nfs/dbraw/zinc/41/02/05/602410205.db2.gz ZWNYPQNYJXLGRH-CQSZACIVSA-N -1 0 342.399 3.736 20 0 EHADRM COc1ccc(-c2nc([C@H](CC(C)C)NC(=O)[O-])no2)c(Cl)c1 ZINC000739877792 602410720 /nfs/dbraw/zinc/41/07/20/602410720.db2.gz BLYUMLPHYLEOFS-LBPRGKRZSA-N -1 0 339.779 3.753 20 0 EHADRM Cc1ccc(O[C@@H](C)c2nc([C@H](CC(C)C)NC(=O)[O-])no2)cc1 ZINC000740144588 602410737 /nfs/dbraw/zinc/41/07/37/602410737.db2.gz SKTAESDNNWHRPB-JSGCOSHPSA-N -1 0 333.388 3.873 20 0 EHADRM CC(C)Sc1ccc(-c2nc(C3(NC(=O)[O-])CCC3)no2)cc1 ZINC000738870172 602415746 /nfs/dbraw/zinc/41/57/46/602415746.db2.gz ROFANZSRYJHKCP-UHFFFAOYSA-N -1 0 333.413 3.884 20 0 EHADRM CCCCOc1ccc(-c2nc(C3(NC(=O)[O-])CCC3)no2)cc1 ZINC000739340138 602418617 /nfs/dbraw/zinc/41/86/17/602418617.db2.gz ZHUCICKXGTVYLC-UHFFFAOYSA-N -1 0 331.372 3.562 20 0 EHADRM C[C@H](NC(=O)[O-])C1CCN(Cc2csc(C3CCCC3)n2)CC1 ZINC000739017178 602445811 /nfs/dbraw/zinc/44/58/11/602445811.db2.gz ZYNZUSPXEJROCI-LBPRGKRZSA-N -1 0 337.489 3.669 20 0 EHADRM CCOc1ccc(NC(=O)CC[C@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000739506579 602453695 /nfs/dbraw/zinc/45/36/95/602453695.db2.gz MFRZFIBSGZLNJG-KRWDZBQOSA-N -1 0 342.395 3.813 20 0 EHADRM Cc1ccccc1[C@@H](C)NC(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000740186027 602455469 /nfs/dbraw/zinc/45/54/69/602455469.db2.gz XNZPRRXGXJBNPI-QAPCUYQASA-N -1 0 340.423 3.961 20 0 EHADRM CCN(Cc1ccccc1NC(=O)c1ccnc2ccccc21)C(=O)[O-] ZINC000739442119 602459765 /nfs/dbraw/zinc/45/97/65/602459765.db2.gz HGCXAXQELLXMPZ-UHFFFAOYSA-N -1 0 349.390 3.987 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)Oc1cccc(CNC(=O)[O-])c1 ZINC000738953728 602462131 /nfs/dbraw/zinc/46/21/31/602462131.db2.gz WPQDSXMBYZEPLW-ZDUSSCGKSA-N -1 0 345.420 3.788 20 0 EHADRM COc1cc(C)ccc1NC(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000739857417 602462365 /nfs/dbraw/zinc/46/23/65/602462365.db2.gz RCUUBCARNLMJTQ-HNNXBMFYSA-N -1 0 342.395 3.731 20 0 EHADRM CCOc1ccccc1[C@H](C)NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739506043 602483963 /nfs/dbraw/zinc/48/39/63/602483963.db2.gz NLICKAVBKFQUJF-NSHDSACASA-N -1 0 346.358 3.805 20 0 EHADRM CSc1ccsc1C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000740021972 602484249 /nfs/dbraw/zinc/48/42/49/602484249.db2.gz YHHQVALPAXVVIT-UHFFFAOYSA-N -1 0 326.374 3.951 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CCC[C@@H]2c2ccsc2)ccc1F ZINC000740692898 602484860 /nfs/dbraw/zinc/48/48/60/602484860.db2.gz JMYJIIGXTQBHDG-CQSZACIVSA-N -1 0 334.372 3.954 20 0 EHADRM CCOc1ccc(C(=O)Nc2ccc(NC(=O)[O-])cc2)cc1OCC ZINC000739496077 602499300 /nfs/dbraw/zinc/49/93/00/602499300.db2.gz BUEPGZIAZHMNIX-UHFFFAOYSA-N -1 0 344.367 3.826 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)Cc2ccc(Br)cc2)cc1 ZINC000740709593 602499355 /nfs/dbraw/zinc/49/93/55/602499355.db2.gz MZXVEGGKLDTGKF-UHFFFAOYSA-N -1 0 349.184 3.720 20 0 EHADRM CC(C)OCc1ccc(C(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738862680 602499789 /nfs/dbraw/zinc/49/97/89/602499789.db2.gz DDRJGWJPSXUDLA-UHFFFAOYSA-N -1 0 328.368 3.954 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1 ZINC000740712521 602502574 /nfs/dbraw/zinc/50/25/74/602502574.db2.gz UIXBGPKVMCMXFE-UHFFFAOYSA-N -1 0 329.337 3.745 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)CCOc2ccc(Cl)cc2)cc1 ZINC000740708858 602502872 /nfs/dbraw/zinc/50/28/72/602502872.db2.gz LXTSRQKWAOOVEX-UHFFFAOYSA-N -1 0 334.759 3.838 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)CCc3ccc(F)cc3)ccc21 ZINC000740359838 602507180 /nfs/dbraw/zinc/50/71/80/602507180.db2.gz KZQQSRGVZGLQSP-UHFFFAOYSA-N -1 0 342.370 3.828 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)[C@@H]3CCc4ccccc43)ccc21 ZINC000740464585 602510287 /nfs/dbraw/zinc/51/02/87/602510287.db2.gz JOBOVTKYXSUXSG-QGZVFWFLSA-N -1 0 336.391 3.786 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000740158385 602581045 /nfs/dbraw/zinc/58/10/45/602581045.db2.gz LTHWZHPOCPSRGI-CQSZACIVSA-N -1 0 333.432 3.725 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N2C3CCC2CC3)c(C(F)(F)F)c1 ZINC000740709517 602598593 /nfs/dbraw/zinc/59/85/93/602598593.db2.gz JENXFDRROYGXJG-UHFFFAOYSA-N -1 0 343.305 3.954 20 0 EHADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)Nc1cccc(-c2cccs2)c1 ZINC000738932302 602603484 /nfs/dbraw/zinc/60/34/84/602603484.db2.gz JYNBUCGOWPBAJL-NSHDSACASA-N -1 0 333.413 3.535 20 0 EHADRM C[C@@H]1CCC[C@@H](NC(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])C1 ZINC000739098248 602605735 /nfs/dbraw/zinc/60/57/35/602605735.db2.gz VKRRNSISZGFSHN-TZMCWYRMSA-N -1 0 331.416 3.817 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)Cc1coc(-c2cccs2)n1 ZINC000740715598 602675292 /nfs/dbraw/zinc/67/52/92/602675292.db2.gz KWQUYDMLUXVECR-UHFFFAOYSA-N -1 0 343.364 3.674 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCC[C@@H](Cc3ccccc3)C2)cc1 ZINC000738660088 602675948 /nfs/dbraw/zinc/67/59/48/602675948.db2.gz CDKFWZFXEINKAR-INIZCTEOSA-N -1 0 338.407 3.871 20 0 EHADRM O=C([O-])NCc1cccc(Oc2ncnc3sc4c(c32)CCC4)c1 ZINC000740681762 602687384 /nfs/dbraw/zinc/68/73/84/602687384.db2.gz SXWUVTNANSMPRB-UHFFFAOYSA-N -1 0 341.392 3.740 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1NC(=O)CCCNC(=O)[O-] ZINC000738473885 602700963 /nfs/dbraw/zinc/70/09/63/602700963.db2.gz CWMGXGCNONQQHJ-UHFFFAOYSA-N -1 0 328.368 3.774 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(NC(=O)[O-])cc1)C(=O)c1ccccc1 ZINC000736549485 602712215 /nfs/dbraw/zinc/71/22/15/602712215.db2.gz WAZBJFFRBIKFKY-LBPRGKRZSA-N -1 0 326.352 3.624 20 0 EHADRM Cc1ccsc1-c1nnc(SCC2CCN(C(=O)[O-])CC2)o1 ZINC000740197204 602724624 /nfs/dbraw/zinc/72/46/24/602724624.db2.gz QHFKGGVQYHXEQG-UHFFFAOYSA-N -1 0 339.442 3.589 20 0 EHADRM O=C([O-])N[C@H]1CCN(C(=O)c2cc3sc4ccccc4c3s2)C1 ZINC000740585580 602747992 /nfs/dbraw/zinc/74/79/92/602747992.db2.gz IICBTXVPWPCJHM-VIFPVBQESA-N -1 0 346.433 3.598 20 0 EHADRM CCN(C(=O)C[C@@H](C)NC(=O)[O-])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000826969702 602762970 /nfs/dbraw/zinc/76/29/70/602762970.db2.gz IOEZMWHHFRRNGZ-GHMZBOCLSA-N -1 0 346.349 3.661 20 0 EHADRM CCN(C(=O)C[C@H](C)NC(=O)[O-])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000826969705 602762989 /nfs/dbraw/zinc/76/29/89/602762989.db2.gz IOEZMWHHFRRNGZ-WDEREUQCSA-N -1 0 346.349 3.661 20 0 EHADRM CC(C)CCc1ccccc1NC(=O)c1ccc(CNC(=O)[O-])o1 ZINC000824244324 602766307 /nfs/dbraw/zinc/76/63/07/602766307.db2.gz HKEAXMUYNNJFPT-UHFFFAOYSA-N -1 0 330.384 3.888 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)N[C@H](CC2CC2)c2ccccc2)cc1 ZINC000740702531 602784268 /nfs/dbraw/zinc/78/42/68/602784268.db2.gz BIRCNNWASIKXDR-GOSISDBHSA-N -1 0 338.407 3.977 20 0 EHADRM CN(Cc1ccc(Cl)cc1Cl)C(=O)CCC(C)(C)NC(=O)[O-] ZINC000739705149 602785109 /nfs/dbraw/zinc/78/51/09/602785109.db2.gz MBBZOWNGAOEEHY-UHFFFAOYSA-N -1 0 347.242 3.778 20 0 EHADRM C[C@H](NC(=O)CCC(C)(C)NC(=O)[O-])c1cccc2ccccc21 ZINC000738961957 602785135 /nfs/dbraw/zinc/78/51/35/602785135.db2.gz UHGVWSXCSXZHIY-ZDUSSCGKSA-N -1 0 328.412 3.843 20 0 EHADRM CC(C)(CCC(=O)Nc1ncc(-c2ccccc2)s1)NC(=O)[O-] ZINC000738745840 602790584 /nfs/dbraw/zinc/79/05/84/602790584.db2.gz QOAOZNRQJYUEKX-UHFFFAOYSA-N -1 0 333.413 3.575 20 0 EHADRM CC(C)(CCC(=O)Nc1cccnc1Oc1ccccc1)NC(=O)[O-] ZINC000738744036 602790682 /nfs/dbraw/zinc/79/06/82/602790682.db2.gz NAHPUKWTRIXFJL-UHFFFAOYSA-N -1 0 343.383 3.639 20 0 EHADRM COc1c(Cl)cc(NC(=O)CCC(C)(C)NC(=O)[O-])cc1Cl ZINC000739848312 602801834 /nfs/dbraw/zinc/80/18/34/602801834.db2.gz GGNSDKLZNGDBJG-UHFFFAOYSA-N -1 0 349.214 3.767 20 0 EHADRM CC[C@@H](NC(=O)CCC(C)(C)NC(=O)[O-])c1ccc(Cl)s1 ZINC000739264120 602807613 /nfs/dbraw/zinc/80/76/13/602807613.db2.gz QZTQEPHXTGUZFH-SECBINFHSA-N -1 0 332.853 3.795 20 0 EHADRM CN(C(=O)CCC(C)(C)NC(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000739575541 602808255 /nfs/dbraw/zinc/80/82/55/602808255.db2.gz UXQBVHPBHYGXND-UHFFFAOYSA-N -1 0 333.215 3.783 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(NC(=O)[O-])cc1)c1ccc(F)cc1F ZINC000736916505 602814043 /nfs/dbraw/zinc/81/40/43/602814043.db2.gz IEZWFGUWFQALLV-OAHLLOKOSA-N -1 0 334.322 3.936 20 0 EHADRM CCN(Cc1cccc(NC(=O)[C@H](C)c2ccsc2)c1)C(=O)[O-] ZINC000739442957 602822912 /nfs/dbraw/zinc/82/29/12/602822912.db2.gz WRJBFLNECHZPJB-GFCCVEGCSA-N -1 0 332.425 3.990 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)N2CCC(NC(=O)[O-])CC2)cc1 ZINC000738877668 602823499 /nfs/dbraw/zinc/82/34/99/602823499.db2.gz OMCKGGFFYNPPCU-AWEZNQCLSA-N -1 0 332.444 3.562 20 0 EHADRM Cc1ccc(C[C@H]2CCCN2C(=O)c2ccc(NC(=O)[O-])cc2)cc1 ZINC000738267432 602844277 /nfs/dbraw/zinc/84/42/77/602844277.db2.gz FKENERRNZUEEPH-GOSISDBHSA-N -1 0 338.407 3.932 20 0 EHADRM CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)CCCNC(=O)[O-] ZINC000736389440 602851477 /nfs/dbraw/zinc/85/14/77/602851477.db2.gz CNEONYCTRYDNKP-OAHLLOKOSA-N -1 0 326.824 3.543 20 0 EHADRM CCC[C@@H](NC(=O)[O-])C(=O)Nc1ccc(Oc2ccc(C)cn2)cc1 ZINC000739320863 602856100 /nfs/dbraw/zinc/85/61/00/602856100.db2.gz ILBOUDRHVGRYHO-OAHLLOKOSA-N -1 0 343.383 3.557 20 0 EHADRM O=C([O-])NCc1ccc2c(c1)CCCN2C(=O)c1cccc2cc[nH]c21 ZINC000832715239 602892055 /nfs/dbraw/zinc/89/20/55/602892055.db2.gz QCGMNRGEJFHALZ-UHFFFAOYSA-N -1 0 349.390 3.529 20 0 EHADRM Cc1ccc(N(Cc2cccs2)C(=O)C[C@@H](C)NC(=O)[O-])cc1 ZINC000830340304 602904617 /nfs/dbraw/zinc/90/46/17/602904617.db2.gz KQYUPVYRJBDSON-CYBMUJFWSA-N -1 0 332.425 3.636 20 0 EHADRM CCc1nc([C@H](C)NC(=O)c2ccc(C)c(NC(=O)[O-])c2)cs1 ZINC000827627376 602914928 /nfs/dbraw/zinc/91/49/28/602914928.db2.gz QUKYRNNNESTLLR-JTQLQIEISA-N -1 0 333.413 3.595 20 0 EHADRM Cc1c2ccccc2oc1[C@H](NC(=O)C[C@H](C)NC(=O)[O-])C(C)C ZINC000829860377 602918605 /nfs/dbraw/zinc/91/86/05/602918605.db2.gz YERDBSCHAPPMKO-MEDUHNTESA-N -1 0 332.400 3.601 20 0 EHADRM CC[C@@H]1CCC[C@@H](NC(=O)Nc2ccccc2CN(C)C(=O)[O-])C1 ZINC000739264964 602925982 /nfs/dbraw/zinc/92/59/82/602925982.db2.gz HFPNVYWKMCXRCD-UKRRQHHQSA-N -1 0 333.432 3.887 20 0 EHADRM CC[C@H](NC(=O)C[C@@H]1CCCN1C(=O)[O-])c1ccc(Cl)s1 ZINC000826598962 602938292 /nfs/dbraw/zinc/93/82/92/602938292.db2.gz AZTBYKFZUGUJDG-UWVGGRQHSA-N -1 0 330.837 3.501 20 0 EHADRM CC[C@H](NC(=O)c1ccc(CNC(=O)[O-])o1)c1ccc(Cl)s1 ZINC000826613694 602938330 /nfs/dbraw/zinc/93/83/30/602938330.db2.gz OUWAMESFIDDXRZ-VIFPVBQESA-N -1 0 342.804 3.643 20 0 EHADRM CC1(NC(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])CCCCC1 ZINC000739071197 602942602 /nfs/dbraw/zinc/94/26/02/602942602.db2.gz TUEGZQLRWUBRKQ-UHFFFAOYSA-N -1 0 331.416 3.962 20 0 EHADRM COc1cc(NC(=O)Nc2cccc3[nH]ccc32)ccc1NC(=O)[O-] ZINC000739870652 602947001 /nfs/dbraw/zinc/94/70/01/602947001.db2.gz OPMBLAHUCQFUFZ-UHFFFAOYSA-N -1 0 340.339 3.910 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)OC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000740185038 602948949 /nfs/dbraw/zinc/94/89/49/602948949.db2.gz RRDPUIPGHTUDDI-JZWPEALZSA-N -1 0 331.412 3.705 20 0 EHADRM O=C([O-])NC1(c2noc([C@H]3C[C@H]3c3c(F)cccc3F)n2)CCCC1 ZINC000740547810 602951002 /nfs/dbraw/zinc/95/10/02/602951002.db2.gz DIXDZSVUKQAVCT-ZJUUUORDSA-N -1 0 349.337 3.656 20 0 EHADRM Cc1ccc(C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2F)cc1NC(=O)[O-] ZINC000830206129 602951108 /nfs/dbraw/zinc/95/11/08/602951108.db2.gz XJRYPLLWQZWDLQ-XHDPSFHLSA-N -1 0 346.333 3.649 20 0 EHADRM CCN(Cc1cccc(NC(=O)C[C@@H](C)n2cccc2)c1)C(=O)[O-] ZINC000739442259 602953071 /nfs/dbraw/zinc/95/30/71/602953071.db2.gz SMXNQCAEIJMHRW-CQSZACIVSA-N -1 0 329.400 3.578 20 0 EHADRM Cc1ccc(C(=O)N2CCc3cc(F)ccc3[C@@H]2C)cc1NC(=O)[O-] ZINC000830198737 602973793 /nfs/dbraw/zinc/97/37/93/602973793.db2.gz NISPULMMDLAAFV-LBPRGKRZSA-N -1 0 342.370 3.984 20 0 EHADRM Cc1ccc(C(=O)NCCc2cc3ccccc3o2)cc1NC(=O)[O-] ZINC000830219504 602975292 /nfs/dbraw/zinc/97/52/92/602975292.db2.gz FTFXEEPBUDDNLW-UHFFFAOYSA-N -1 0 338.363 3.804 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(-c2cc(Cl)nc(Cl)c2)n1 ZINC000738817685 603001880 /nfs/dbraw/zinc/00/18/80/603001880.db2.gz SKUOWSPQZXMGEM-MRVPVSSYSA-N -1 0 345.186 3.793 20 0 EHADRM O=C([O-])NC1(c2noc(/C=C/Sc3ccccc3)n2)CCCC1 ZINC000740550590 603004093 /nfs/dbraw/zinc/00/40/93/603004093.db2.gz ZEVCEVJRSWKFAT-DHZHZOJOSA-N -1 0 331.397 3.870 20 0 EHADRM CC[C@@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccc(C)cc1 ZINC000739249652 603004871 /nfs/dbraw/zinc/00/48/71/603004871.db2.gz NLEADJURSPJVJH-MIGBEJBISA-N -1 0 344.455 3.668 20 0 EHADRM Cc1nc(C(C)(C)C)sc1-c1nc([C@@H](C)CN(C)C(=O)[O-])no1 ZINC000740215361 603007376 /nfs/dbraw/zinc/00/73/76/603007376.db2.gz QBYLNPMOCANDET-QMMMGPOBSA-N -1 0 338.433 3.512 20 0 EHADRM Cc1cccc(CSCc2nc([C@H](C)CN(C)C(=O)[O-])no2)c1 ZINC000740166401 603008934 /nfs/dbraw/zinc/00/89/34/603008934.db2.gz JPQBQECTHBEACZ-GFCCVEGCSA-N -1 0 335.429 3.525 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)NCCCc2ccccc2)c1 ZINC000740706120 603038946 /nfs/dbraw/zinc/03/89/46/603038946.db2.gz ZBVYONRTKOXBKK-UHFFFAOYSA-N -1 0 331.347 3.670 20 0 EHADRM C[C@H](Cc1ccccc1F)NC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000738951046 603040793 /nfs/dbraw/zinc/04/07/93/603040793.db2.gz SVCOCNMXYBAXBL-SNVBAGLBSA-N -1 0 349.337 3.807 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N2CCC[C@@H]2c2ccccn2)c1 ZINC000740704732 603043386 /nfs/dbraw/zinc/04/33/86/603043386.db2.gz DMPAUWBNRVLNFJ-OAHLLOKOSA-N -1 0 344.346 3.680 20 0 EHADRM Cc1ccccc1C1(C(=O)Oc2ccc(N(C)C(=O)[O-])cc2)CC1 ZINC000830559570 603050727 /nfs/dbraw/zinc/05/07/27/603050727.db2.gz LQJJMHZEEMHXMH-UHFFFAOYSA-N -1 0 325.364 3.746 20 0 EHADRM Cc1c(C(=O)NC2CCC(NC(=O)[O-])CC2)oc2c1c(C)ccc2C ZINC000740120232 603067241 /nfs/dbraw/zinc/06/72/41/603067241.db2.gz WFNJXKQFMFHUSO-UHFFFAOYSA-N -1 0 344.411 3.667 20 0 EHADRM CCC(=O)Nc1ccc(-c2csc(CN(CC)C(=O)[O-])n2)cc1 ZINC000739213463 603071904 /nfs/dbraw/zinc/07/19/04/603071904.db2.gz SESGDKYMFIHXTF-UHFFFAOYSA-N -1 0 333.413 3.659 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@H](C(=O)Nc2cccc(CC(F)(F)F)c2)C1 ZINC000832325878 603082204 /nfs/dbraw/zinc/08/22/04/603082204.db2.gz OMQWBNAWYKADPE-AAEUAGOBSA-N -1 0 344.333 3.556 20 0 EHADRM O=C([O-])NC1CCC(C(=O)Nc2cccc(CC(F)(F)F)c2)CC1 ZINC000832287707 603082449 /nfs/dbraw/zinc/08/24/49/603082449.db2.gz PELXETXQZMACJH-UHFFFAOYSA-N -1 0 344.333 3.556 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2ccc(F)nc2)c(C(F)(F)F)c1 ZINC000740712570 603100523 /nfs/dbraw/zinc/10/05/23/603100523.db2.gz XISMCUCTGPEUNZ-UHFFFAOYSA-N -1 0 343.236 3.582 20 0 EHADRM CC(C)c1ccc(CN(C)C(=O)NC2CCC(NC(=O)[O-])CC2)cc1 ZINC000738882585 603105928 /nfs/dbraw/zinc/10/59/28/603105928.db2.gz LTQXOSAPEJTRLP-UHFFFAOYSA-N -1 0 347.459 3.530 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)N2CCC[C@]3(CC=CCC3)C2)cc1 ZINC000740701846 603133446 /nfs/dbraw/zinc/13/34/46/603133446.db2.gz NMUXCQJIVJUZRE-LJQANCHMSA-N -1 0 328.412 3.668 20 0 EHADRM CC[C@H]1c2ccccc2CCN1C(=O)CCCCCCNC(=O)[O-] ZINC000739279831 603133714 /nfs/dbraw/zinc/13/37/14/603133714.db2.gz ONPIZUVQSYCIIP-KRWDZBQOSA-N -1 0 332.444 3.741 20 0 EHADRM O=C([O-])Nc1ccc(NC(=S)N[C@H]2CCOc3ccccc32)cc1 ZINC000738667919 603147241 /nfs/dbraw/zinc/14/72/41/603147241.db2.gz VICDZMYDGWAGKY-AWEZNQCLSA-N -1 0 343.408 3.587 20 0 EHADRM CSc1cccc(NC(=O)COc2ccc(N(C)C(=O)[O-])cc2)c1 ZINC000829772439 603160302 /nfs/dbraw/zinc/16/03/02/603160302.db2.gz WSKJXEJOBPVJLP-UHFFFAOYSA-N -1 0 346.408 3.540 20 0 EHADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739060208 603164646 /nfs/dbraw/zinc/16/46/46/603164646.db2.gz WELYMHWFBPHYOJ-ZLDLUXBVSA-N -1 0 338.835 3.686 20 0 EHADRM O=C([O-])N1CCc2c(cccc2NC(=O)c2cncc3ccccc32)C1 ZINC000740474904 603175970 /nfs/dbraw/zinc/17/59/70/603175970.db2.gz XGMLIZDCGFMZEA-UHFFFAOYSA-N -1 0 347.374 3.523 20 0 EHADRM CN(C(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1)c1cccc2ccccc21 ZINC000739572235 603180006 /nfs/dbraw/zinc/18/00/06/603180006.db2.gz DDINCWUYRNYLHY-CABCVRRESA-N -1 0 326.396 3.629 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC[C@H]1NC(=O)[O-] ZINC000739145692 603185109 /nfs/dbraw/zinc/18/51/09/603185109.db2.gz JODQOLIPXSHUEJ-QPUJVOFHSA-N -1 0 346.214 3.503 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)Nc2scnc2-c2ccccc2)C1 ZINC000740561867 603186863 /nfs/dbraw/zinc/18/68/63/603186863.db2.gz DVGLTBPGMVREAE-OLZOCXBDSA-N -1 0 345.424 3.575 20 0 EHADRM Cc1cc(C)cc(OCC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)c1 ZINC000830005286 603190061 /nfs/dbraw/zinc/19/00/61/603190061.db2.gz XCAZJBGJDGXROD-AWEZNQCLSA-N -1 0 342.395 3.650 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2csc(C3CC3)n2)cc1 ZINC000825448065 603195157 /nfs/dbraw/zinc/19/51/57/603195157.db2.gz AUTBSSJYFMBXHU-VIFPVBQESA-N -1 0 331.397 3.601 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)cc1 ZINC000738664448 603196310 /nfs/dbraw/zinc/19/63/10/603196310.db2.gz OVPZJYVKLFRFJR-GXTWGEPZSA-N -1 0 332.306 3.797 20 0 EHADRM C[C@@H](CNC(=O)Cc1ccc(NC(=O)[O-])cc1)c1ccc(F)cc1F ZINC000824921232 603207644 /nfs/dbraw/zinc/20/76/44/603207644.db2.gz DEQPDEJFQFOHFR-NSHDSACASA-N -1 0 348.349 3.517 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(OC(F)F)cc2)cc1NC(=O)[O-] ZINC000830230831 603222872 /nfs/dbraw/zinc/22/28/72/603222872.db2.gz SPARNMANFNRALN-UHFFFAOYSA-N -1 0 336.294 3.939 20 0 EHADRM C[C@H](C(=O)Nc1cccc2ncccc21)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823723472 603224594 /nfs/dbraw/zinc/22/45/94/603224594.db2.gz KWWZMWQVIMEZSU-SCLBCKFNSA-N -1 0 349.390 3.818 20 0 EHADRM COc1cc(C)ccc1NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739855499 603226693 /nfs/dbraw/zinc/22/66/93/603226693.db2.gz ARNFTRSOAVCIKE-UHFFFAOYSA-N -1 0 334.759 3.999 20 0 EHADRM CC(C)(CCC(=O)Nc1cccc(Oc2ccccn2)c1)NC(=O)[O-] ZINC000823890669 603229268 /nfs/dbraw/zinc/22/92/68/603229268.db2.gz YIAWOHFDKFLBQW-UHFFFAOYSA-N -1 0 343.383 3.639 20 0 EHADRM Cc1ccc(CN(C)C(=O)[C@@H](C)[C@@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000830302858 603230080 /nfs/dbraw/zinc/23/00/80/603230080.db2.gz PMHCEGRAIPRNBP-MAUKXSAKSA-N -1 0 340.423 3.598 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CCC(C)(C)NC(=O)[O-])o1 ZINC000830282593 603230950 /nfs/dbraw/zinc/23/09/50/603230950.db2.gz RVAGFBWPFWEZKP-OCCSQVGLSA-N -1 0 336.432 3.714 20 0 EHADRM Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000830554690 603236109 /nfs/dbraw/zinc/23/61/09/603236109.db2.gz ONGIHOXLTRZUOG-VKJFTORMSA-N -1 0 340.423 3.817 20 0 EHADRM CC(C)c1nc2cc(NC(=O)[C@H]3CCC[C@@H](NC(=O)[O-])C3)ccc2o1 ZINC000738879614 603238336 /nfs/dbraw/zinc/23/83/36/603238336.db2.gz HSOQUAQMBUHVNQ-NWDGAFQWSA-N -1 0 345.399 3.716 20 0 EHADRM CC(=O)c1ccc(NC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)cc1 ZINC000823632539 603243079 /nfs/dbraw/zinc/24/30/79/603243079.db2.gz KVBJHNLBGRDXCG-NSHDSACASA-N -1 0 341.367 3.862 20 0 EHADRM CC(C)c1ccccc1NC(=O)N[C@H]1CCCC[C@H]1CNC(=O)[O-] ZINC000824477018 603249170 /nfs/dbraw/zinc/24/91/70/603249170.db2.gz YRWISZITGSPAHC-ZFWWWQNUSA-N -1 0 333.432 3.758 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)Nc2c(F)cccc2F)cc1 ZINC000825442278 603249271 /nfs/dbraw/zinc/24/92/71/603249271.db2.gz CASVUJSXGOQCCR-VIFPVBQESA-N -1 0 335.310 3.937 20 0 EHADRM O=C([O-])NC[C@@H]1CCCN1C(=O)Nc1ccccc1-c1ccccc1 ZINC000832561355 603252791 /nfs/dbraw/zinc/25/27/91/603252791.db2.gz HUPUBJYYQLGLMD-HNNXBMFYSA-N -1 0 339.395 3.618 20 0 EHADRM COc1cc2c(cc1NC(=O)C[C@H](C)NC(=O)[O-])oc1ccccc12 ZINC000829225771 603256010 /nfs/dbraw/zinc/25/60/10/603256010.db2.gz SOHAHTFOFDLAKH-JTQLQIEISA-N -1 0 342.351 3.579 20 0 EHADRM CCc1ccc([C@@H](NC(=O)c2ccc(CNC(=O)[O-])o2)C(C)C)cc1 ZINC000827584375 603272108 /nfs/dbraw/zinc/27/21/08/603272108.db2.gz QPZBSTGSCFWRIB-KRWDZBQOSA-N -1 0 344.411 3.737 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2n[nH]c3ccccc32)c(Cl)c1 ZINC000740701468 603273754 /nfs/dbraw/zinc/27/37/54/603273754.db2.gz ZWXPKFLAGCRHRE-UHFFFAOYSA-N -1 0 330.731 3.559 20 0 EHADRM Cc1ccc([C@H]2CCCCN2C(=O)C2CCC(NC(=O)[O-])CC2)cc1 ZINC000740119224 603277195 /nfs/dbraw/zinc/27/71/95/603277195.db2.gz UDBIVEFQWRPQMT-DAWZGUTISA-N -1 0 344.455 3.875 20 0 EHADRM CCc1ccccc1NC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000827598885 603279407 /nfs/dbraw/zinc/27/94/07/603279407.db2.gz AJLJQCMXLPUFNJ-SUMWQHHRSA-N -1 0 326.396 3.833 20 0 EHADRM C[C@@H](C(=O)Nc1ccc2[nH]ccc2c1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823713173 603283222 /nfs/dbraw/zinc/28/32/22/603283222.db2.gz MFUKICKLJUHSOA-SJKOYZFVSA-N -1 0 337.379 3.751 20 0 EHADRM Cc1nc2ccc(NC(=O)c3ccc(C)c(NC(=O)[O-])c3)cc2o1 ZINC000830793287 603289873 /nfs/dbraw/zinc/28/98/73/603289873.db2.gz PLDVZYVPRMHSPU-UHFFFAOYSA-N -1 0 325.324 3.787 20 0 EHADRM O=C([O-])N1CCC(N(C(=O)c2cccs2)c2ccccc2F)CC1 ZINC000740500256 603301483 /nfs/dbraw/zinc/30/14/83/603301483.db2.gz NWPYKIYVUNJIAS-UHFFFAOYSA-N -1 0 348.399 3.676 20 0 EHADRM O=C([O-])N1CCC(CC(=O)N2CCCCC[C@H]2c2ccco2)CC1 ZINC000740497432 603301747 /nfs/dbraw/zinc/30/17/47/603301747.db2.gz PTFVSTKWAKYPOZ-HNNXBMFYSA-N -1 0 334.416 3.503 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C)C(=O)c1ccc(CNC(=O)[O-])o1 ZINC000825640187 603301930 /nfs/dbraw/zinc/30/19/30/603301930.db2.gz YWGUQDKFZLQWBP-SNVBAGLBSA-N -1 0 336.775 3.534 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])C1CCCCC1 ZINC000825171161 603302940 /nfs/dbraw/zinc/30/29/40/603302940.db2.gz IHBNVJZBLFGPBR-GFCCVEGCSA-N -1 0 331.416 3.817 20 0 EHADRM Cc1cccc(O[C@H](C)CNC(=O)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000830523057 603311285 /nfs/dbraw/zinc/31/12/85/603311285.db2.gz XRCDTAJAXYYQJM-CYBMUJFWSA-N -1 0 343.383 3.674 20 0 EHADRM Cc1cc([C@H](C)NC(=O)[C@H](CNC(=O)[O-])c2ccccc2)c(C)s1 ZINC000829979835 603312452 /nfs/dbraw/zinc/31/24/52/603312452.db2.gz IJOKQXLYSHHHMD-BLLLJJGKSA-N -1 0 346.452 3.594 20 0 EHADRM C[C@]1(c2ccccc2)C[C@H]1NC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000825773146 603327387 /nfs/dbraw/zinc/32/73/87/603327387.db2.gz YEDKWQKKVGHYDZ-CRAIPNDOSA-N -1 0 343.358 3.767 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2ccccc2CN(C)C(=O)[O-])cc1 ZINC000740113356 603335192 /nfs/dbraw/zinc/33/51/92/603335192.db2.gz MWIYYKBPLYVWEJ-AWEZNQCLSA-N -1 0 341.411 3.988 20 0 EHADRM CCN(Cc1cccc(NC(=O)N(C)C2CCCCC2)c1)C(=O)[O-] ZINC000739444255 603344914 /nfs/dbraw/zinc/34/49/14/603344914.db2.gz XGRAJHCNCHNCTK-UHFFFAOYSA-N -1 0 333.432 3.983 20 0 EHADRM C[C@H](CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1)NC(=O)[O-] ZINC000824614686 603352004 /nfs/dbraw/zinc/35/20/04/603352004.db2.gz MXIKAJRAWCOUBY-SJKOYZFVSA-N -1 0 346.814 3.592 20 0 EHADRM CCN(Cc1ccccc1NC(=O)NC[C@@H]1CC=CCC1)C(=O)[O-] ZINC000739442885 603352244 /nfs/dbraw/zinc/35/22/44/603352244.db2.gz OAAAYIWAMOSARG-CQSZACIVSA-N -1 0 331.416 3.664 20 0 EHADRM CN(Cc1cccc(NC(=O)NC2(c3ccccc3)CC2)c1)C(=O)[O-] ZINC000739711479 603360343 /nfs/dbraw/zinc/36/03/43/603360343.db2.gz BSYYEIDOGTVWET-UHFFFAOYSA-N -1 0 339.395 3.607 20 0 EHADRM Cc1csc([C@H](C)NC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)n1 ZINC000830654934 603375305 /nfs/dbraw/zinc/37/53/05/603375305.db2.gz CTDOMZIDAZQYAY-MNOVXSKESA-N -1 0 348.428 3.663 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)o1 ZINC000832692556 603406085 /nfs/dbraw/zinc/40/60/85/603406085.db2.gz YJHXEEUGSXMDNR-JKSUJKDBSA-N -1 0 342.395 3.503 20 0 EHADRM C[C@H](CCc1cccc(F)c1)c1nc(C2(NC(=O)[O-])CCC2)no1 ZINC000824817879 603418481 /nfs/dbraw/zinc/41/84/81/603418481.db2.gz RXHMKLURLVYMAO-LLVKDONJSA-N -1 0 333.363 3.592 20 0 EHADRM Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1 ZINC000830407499 603421167 /nfs/dbraw/zinc/42/11/67/603421167.db2.gz QALIJPDGFATBMU-CQSZACIVSA-N -1 0 342.395 3.591 20 0 EHADRM CC(C)[C@H](CC1CCCCC1)C(=O)N1CCC[C@H](CNC(=O)[O-])C1 ZINC000738772306 603426369 /nfs/dbraw/zinc/42/63/69/603426369.db2.gz FKLKSEITTMLHST-SJORKVTESA-N -1 0 338.492 3.735 20 0 EHADRM CC[C@H](Cc1ccccc1)N(C)C(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000739260818 603434760 /nfs/dbraw/zinc/43/47/60/603434760.db2.gz RMXVOVWQPDHTAS-GOSISDBHSA-N -1 0 340.423 3.799 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)Nc1ccc(C)nc1C ZINC000829187846 603445544 /nfs/dbraw/zinc/44/55/44/603445544.db2.gz OGGKGIQZTNDHFL-UHFFFAOYSA-N -1 0 349.774 3.703 20 0 EHADRM C[C@@H](C(=O)OCC1(C(F)(F)F)CC1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823731083 603453475 /nfs/dbraw/zinc/45/34/75/603453475.db2.gz IPDRGUARSRJGND-PWSUYJOCSA-N -1 0 345.317 3.517 20 0 EHADRM CN(C(=O)c1cc(Cl)ccc1Cl)C1CCC(NC(=O)[O-])CC1 ZINC000827927575 603476911 /nfs/dbraw/zinc/47/69/11/603476911.db2.gz SLZTVVCVQZZGES-UHFFFAOYSA-N -1 0 345.226 3.644 20 0 EHADRM CC(C)Oc1ccccc1CC(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000824424449 603477216 /nfs/dbraw/zinc/47/72/16/603477216.db2.gz ABVJCZJMUIGUNE-UHFFFAOYSA-N -1 0 329.352 3.712 20 0 EHADRM C[C@H](NC(=O)c1c(Cl)cccc1Cl)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825460248 603483127 /nfs/dbraw/zinc/48/31/27/603483127.db2.gz ZQEISVVKPHDBOH-VHSXEESVSA-N -1 0 345.226 3.502 20 0 EHADRM Cc1nc2ccc(C(=O)Oc3cccc(NC(=O)[O-])c3)cc2nc1C ZINC000830785604 603483215 /nfs/dbraw/zinc/48/32/15/603483215.db2.gz OVMUYFRBXYSEPN-UHFFFAOYSA-N -1 0 337.335 3.556 20 0 EHADRM Cc1ccc(C(=O)Oc2cccc3c2CCCC3=O)cc1NC(=O)[O-] ZINC000830244779 603486324 /nfs/dbraw/zinc/48/63/24/603486324.db2.gz GSNWETFFTZSOLD-UHFFFAOYSA-N -1 0 339.347 3.823 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)c3cccc4[nH]ccc43)ccc21 ZINC000831772579 603489126 /nfs/dbraw/zinc/48/91/26/603489126.db2.gz JADBGWFCBGPAMU-UHFFFAOYSA-N -1 0 335.363 3.851 20 0 EHADRM C[C@@H](c1cccs1)N(C)C(=O)C[C@@H](Cc1ccccc1)NC(=O)[O-] ZINC000825644750 603489968 /nfs/dbraw/zinc/48/99/68/603489968.db2.gz HUSUCALJDVNHIT-DZGCQCFKSA-N -1 0 346.452 3.537 20 0 EHADRM C[C@H](c1cccs1)N(C)C(=O)C[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000825644754 603490152 /nfs/dbraw/zinc/49/01/52/603490152.db2.gz HUSUCALJDVNHIT-HIFRSBDPSA-N -1 0 346.452 3.537 20 0 EHADRM COc1ccc2cc([C@@H](C)OC(=O)CCCNC(=O)[O-])ccc2c1 ZINC000829526293 603516325 /nfs/dbraw/zinc/51/63/25/603516325.db2.gz HUZRJGYDVYKMRJ-GFCCVEGCSA-N -1 0 331.368 3.500 20 0 EHADRM O=C([O-])N[C@H]1CC[C@H](C(=O)Nc2ccc(NC3CCCCC3)cc2)C1 ZINC000832287113 603541949 /nfs/dbraw/zinc/54/19/49/603541949.db2.gz MDKQEKDKJYVDBH-GUYCJALGSA-N -1 0 345.443 3.806 20 0 EHADRM O=C([O-])N1CCC[C@@H](C(=O)Nc2ccccc2CCC(F)(F)F)C1 ZINC000831797829 603728377 /nfs/dbraw/zinc/72/83/77/603728377.db2.gz WKMFPFOBFJOQMV-GFCCVEGCSA-N -1 0 344.333 3.510 20 0 EHADRM CCN(CC1CCN(C(=O)c2cc3ccccc3s2)CC1)C(=O)[O-] ZINC000827080178 603738966 /nfs/dbraw/zinc/73/89/66/603738966.db2.gz RBECKUXFUFITAV-UHFFFAOYSA-N -1 0 346.452 3.753 20 0 EHADRM CC[C@@H]1CC[C@H](C(=O)Nc2ccc(NC(=O)[O-])cc2C(F)(F)F)O1 ZINC000826661544 603797882 /nfs/dbraw/zinc/79/78/82/603797882.db2.gz RUZGVYSUSQKSBF-BXKDBHETSA-N -1 0 346.305 3.691 20 0 EHADRM O=C([O-])NC1CCC(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000832247187 603824061 /nfs/dbraw/zinc/82/40/61/603824061.db2.gz NZSJUSQJKNMYSJ-BDVYOWHSSA-N -1 0 348.418 3.706 20 0 EHADRM CCc1ccc(NC(=S)N(C)CC[C@@H](NC(=O)[O-])C(C)C)cc1 ZINC000827589409 603830643 /nfs/dbraw/zinc/83/06/43/603830643.db2.gz KGBPDXRUGRZWCL-OAHLLOKOSA-N -1 0 337.489 3.560 20 0 EHADRM CC(C)Nc1ccc(F)cc1NC(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000824388573 603875288 /nfs/dbraw/zinc/87/52/88/603875288.db2.gz OLJJUHWGFTWORK-UHFFFAOYSA-N -1 0 345.374 3.917 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)CCC(C)(C)NC(=O)[O-] ZINC000830262228 603882032 /nfs/dbraw/zinc/88/20/32/603882032.db2.gz KHHIMIVXDFQZHM-UHFFFAOYSA-N -1 0 332.322 3.779 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(CNC(=O)[O-])o1 ZINC000830262039 603882161 /nfs/dbraw/zinc/88/21/61/603882161.db2.gz GZRMITGNEBUXQO-UHFFFAOYSA-N -1 0 342.273 3.627 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000832342464 603887219 /nfs/dbraw/zinc/88/72/19/603887219.db2.gz WRAWCJHJZGPNQG-QWHCGFSZSA-N -1 0 344.333 3.556 20 0 EHADRM C[C@@H](C(=O)NC1CCC(NC(=O)[O-])CC1)c1ccc2ccccc2c1 ZINC000823685168 603890155 /nfs/dbraw/zinc/89/01/55/603890155.db2.gz JLJKQPYZTKLQCJ-NLNFPOJYSA-N -1 0 340.423 3.638 20 0 EHADRM Cc1cccc(C)c1NC(=O)[C@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000830489358 603905541 /nfs/dbraw/zinc/90/55/41/603905541.db2.gz VIBMQVLFBZWSTC-RHSMWYFYSA-N -1 0 326.396 3.887 20 0 EHADRM CSCc1cc(C(=O)Nc2cccc(CNC(=O)[O-])c2)ccc1F ZINC000829748941 603941028 /nfs/dbraw/zinc/94/10/28/603941028.db2.gz XOWCRVFQGNMRBX-UHFFFAOYSA-N -1 0 348.399 3.709 20 0 EHADRM O=C([O-])N[C@H]1CC[C@H](C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000832296873 603943938 /nfs/dbraw/zinc/94/39/38/603943938.db2.gz LZYBONSLWYCKTC-IRXDYDNUSA-N -1 0 338.407 3.652 20 0 EHADRM O=C([O-])N[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3ccccc3)cc2F)C1 ZINC000832287677 603947608 /nfs/dbraw/zinc/94/76/08/603947608.db2.gz OYJGVHSLLKLSKV-CABCVRRESA-N -1 0 342.370 3.868 20 0 EHADRM Cc1ccc(C(=O)OCC(=O)c2cccc(Cl)c2)cc1NC(=O)[O-] ZINC000830236713 603954784 /nfs/dbraw/zinc/95/47/84/603954784.db2.gz DISUIJQGJUCWIO-UHFFFAOYSA-N -1 0 347.754 3.778 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)[C@@H]1CSc2ccccc21 ZINC000831792808 603958125 /nfs/dbraw/zinc/95/81/25/603958125.db2.gz AYLCWYGDCZTPGT-CYBMUJFWSA-N -1 0 340.404 3.555 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)Nc2ccccc2SC(F)(F)F)C1 ZINC000832296630 603964733 /nfs/dbraw/zinc/96/47/33/603964733.db2.gz LNLJWGNSMQRSQF-DTWKUNHWSA-N -1 0 348.346 3.673 20 0 EHADRM C[C@H](CNC(=O)Nc1cccc2c1CCN2C(=O)[O-])c1ccccc1 ZINC000824945851 603976174 /nfs/dbraw/zinc/97/61/74/603976174.db2.gz MSSDTVLOPKAZOR-CYBMUJFWSA-N -1 0 339.395 3.652 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)N1CCC[C@H]1c1ccco1 ZINC000832070001 603992929 /nfs/dbraw/zinc/99/29/29/603992929.db2.gz VAVCKXFQODLHKI-HNNXBMFYSA-N -1 0 341.367 3.689 20 0 EHADRM Cc1cccc([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)c1C ZINC000830493021 603993700 /nfs/dbraw/zinc/99/37/00/603993700.db2.gz MIHJHGOCUBMHSG-BQFCYCMXSA-N -1 0 344.455 3.793 20 0 EHADRM C[C@@H](C(=O)N(C)C1CCC(NC(=O)[O-])CC1)c1ccc(Cl)s1 ZINC000823654818 603994986 /nfs/dbraw/zinc/99/49/86/603994986.db2.gz MPZCNWGIWZQVQN-KPPDAEKUSA-N -1 0 344.864 3.542 20 0 EHADRM C[C@@H]1CCN(C(=O)Cc2ccc(NC(=O)[O-])cc2)[C@@H](c2ccco2)C1 ZINC000825938145 604024922 /nfs/dbraw/zinc/02/49/22/604024922.db2.gz MFRCOCXCSYKBNN-CZUORRHYSA-N -1 0 342.395 3.912 20 0 EHADRM COc1ccc(NC(=O)/C=C\SCc2ccco2)cc1NC(=O)[O-] ZINC000829448389 604042137 /nfs/dbraw/zinc/04/21/37/604042137.db2.gz PPJGTKIGVXFUIY-VURMDHGXSA-N -1 0 348.380 3.764 20 0 EHADRM Cc1cc(C(=O)Nc2ccccc2CN(C)C(=O)[O-])c(F)cc1F ZINC000829966397 604052279 /nfs/dbraw/zinc/05/22/79/604052279.db2.gz YZJPHYNYEXVGDZ-UHFFFAOYSA-N -1 0 334.322 3.635 20 0 EHADRM Cc1ccc(-c2cnc(CN3CCC([C@@H](C)NC(=O)[O-])CC3)o2)cc1 ZINC000830148652 604055038 /nfs/dbraw/zinc/05/50/38/604055038.db2.gz FIBYWQGMCQYTEN-CQSZACIVSA-N -1 0 343.427 3.518 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2nc3c(cccc3Cl)[nH]2)ccc1F ZINC000832821398 604238482 /nfs/dbraw/zinc/23/84/82/604238482.db2.gz ZYRFOBVTMFEJAQ-UHFFFAOYSA-N -1 0 348.721 3.698 20 0 EHADRM C[C@@H]1CCCC[C@H]1CC(=O)N1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000825897390 604245484 /nfs/dbraw/zinc/24/54/84/604245484.db2.gz WNTATGMITZRCEJ-ZBFHGGJFSA-N -1 0 336.476 3.584 20 0 EHADRM Cc1c2ccccc2oc1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000738260486 604250781 /nfs/dbraw/zinc/25/07/81/604250781.db2.gz JSGIDUOTGBYMIX-UHFFFAOYSA-N -1 0 338.363 3.804 20 0 EHADRM CSc1ccsc1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000738208591 604251869 /nfs/dbraw/zinc/25/18/69/604251869.db2.gz HSOXGCGALNPINQ-UHFFFAOYSA-N -1 0 336.438 3.532 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)[C@@H]2CCCc3ccccc32)cc1 ZINC000740017690 604254049 /nfs/dbraw/zinc/25/40/49/604254049.db2.gz TXZAQCUMPZMURJ-GOSISDBHSA-N -1 0 338.407 3.555 20 0 EHADRM C[C@@H](CC(=O)NCCc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000736540629 604254588 /nfs/dbraw/zinc/25/45/88/604254588.db2.gz ADACXCDEXKEWIJ-AWEZNQCLSA-N -1 0 326.396 3.629 20 0 EHADRM O=C([O-])C1CCC(NC(=O)N2CCC[C@H]2CCC2CCCC2)CC1 ZINC000833182131 604276594 /nfs/dbraw/zinc/27/65/94/604276594.db2.gz ZPMAVAVIORECOX-JCYILVPMSA-N -1 0 336.476 3.774 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cc(C3CCCCC3)[nH]n2)cc1F ZINC000833149908 604279458 /nfs/dbraw/zinc/27/94/58/604279458.db2.gz BXZOHMXCUFIELQ-UHFFFAOYSA-N -1 0 331.347 3.547 20 0 EHADRM C[C@H](CC(=O)N(C)[C@H](C)c1ccccc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824550738 604294228 /nfs/dbraw/zinc/29/42/28/604294228.db2.gz IBQBUWAYJVSHLS-BFYDXBDKSA-N -1 0 332.444 3.622 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)Nc2ccc(F)cc2F)cc1 ZINC000825389017 604306975 /nfs/dbraw/zinc/30/69/75/604306975.db2.gz NLCFPCOGOIMFAH-JTQLQIEISA-N -1 0 349.337 3.615 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)Nc1cc(F)ccc1F)c1ccccc1 ZINC000826102957 604307100 /nfs/dbraw/zinc/30/71/00/604307100.db2.gz LFFFIZNJGBBZKI-HNNXBMFYSA-N -1 0 348.349 3.938 20 0 EHADRM Cc1ccc(C(=O)N2CCC(OC(C)(C)C)CC2)cc1NC(=O)[O-] ZINC000830186119 604311860 /nfs/dbraw/zinc/31/18/60/604311860.db2.gz FWDYAZMCRGEFIN-UHFFFAOYSA-N -1 0 334.416 3.505 20 0 EHADRM C[C@@H](CC(=O)Nc1cccc2[nH]ccc21)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824703465 604327727 /nfs/dbraw/zinc/32/77/27/604327727.db2.gz LMZMJOPMOQGTAI-QWHCGFSZSA-N -1 0 329.400 3.523 20 0 EHADRM CCc1csc(NC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])n1 ZINC000830299156 604349471 /nfs/dbraw/zinc/34/94/71/604349471.db2.gz KQNSBBQCBIAXNN-ZDUSSCGKSA-N -1 0 347.440 3.679 20 0 EHADRM C[C@H](CC(=O)N1CCCC[C@@H]1c1ccco1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824583330 604355791 /nfs/dbraw/zinc/35/57/91/604355791.db2.gz STDCYOGFBYUCOO-OWCLPIDISA-N -1 0 348.443 3.749 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)C[C@H](C)[C@@H]2CCCN(C(=O)[O-])C2)o1 ZINC000830283515 604357195 /nfs/dbraw/zinc/35/71/95/604357195.db2.gz WYAPLHAYCGCROY-IMJJTQAJSA-N -1 0 348.443 3.668 20 0 EHADRM C[C@H](CC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])c1ccncc1 ZINC000827225971 604376921 /nfs/dbraw/zinc/37/69/21/604376921.db2.gz GMXUQAIPRYMOOR-KDOFPFPSSA-N -1 0 340.423 3.544 20 0 EHADRM Cc1nc(CC(=O)Oc2c(C(=O)[O-])ccc3ccccc32)c(C)s1 ZINC000832998930 604380878 /nfs/dbraw/zinc/38/08/78/604380878.db2.gz QWGINQJNYSPTQN-UHFFFAOYSA-N -1 0 341.388 3.759 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1cccc2ncccc21)c1ccccc1 ZINC000826106011 604385632 /nfs/dbraw/zinc/38/56/32/604385632.db2.gz PIPSQHZCHYXLFB-GOSISDBHSA-N -1 0 348.402 3.817 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1ccc2cc[nH]c2c1)c1ccccc1 ZINC000826102723 604388326 /nfs/dbraw/zinc/38/83/26/604388326.db2.gz GYNLJWGCDQNAPM-QGZVFWFLSA-N -1 0 336.391 3.750 20 0 EHADRM COc1ccc(N(C(=O)c2ccc(C(=O)[O-])c(F)c2)C(C)C)cc1F ZINC000832378035 604388810 /nfs/dbraw/zinc/38/88/10/604388810.db2.gz CFQCXZILOJNBBA-UHFFFAOYSA-N -1 0 349.333 3.727 20 0 EHADRM Cc1ccccc1CC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000832977894 604390332 /nfs/dbraw/zinc/39/03/32/604390332.db2.gz WXCQQPSTRVNDIY-SFHVURJKSA-N -1 0 325.408 3.506 20 0 EHADRM CC(C)OC[C@H](C(=O)[O-])N(C)Cc1csc(C2CCCCC2)n1 ZINC000827022642 604401146 /nfs/dbraw/zinc/40/11/46/604401146.db2.gz XRUHQZHAWIRRLC-OAHLLOKOSA-N -1 0 340.489 3.501 20 0 EHADRM Cc1cc(Cl)ncc1NC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000832886847 604407818 /nfs/dbraw/zinc/40/78/18/604407818.db2.gz NWONUCAAKBPLQU-UHFFFAOYSA-N -1 0 348.790 3.797 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1c(F)cccc1F ZINC000829028200 604426758 /nfs/dbraw/zinc/42/67/58/604426758.db2.gz UDINXHYEVMECPG-OAHLLOKOSA-N -1 0 333.334 3.643 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccnc2ccccc21 ZINC000829025376 604428784 /nfs/dbraw/zinc/42/87/84/604428784.db2.gz BJUOCSXJMMHQHK-IBGZPJMESA-N -1 0 348.402 3.913 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)NCc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000825022282 604446361 /nfs/dbraw/zinc/44/63/61/604446361.db2.gz DGBBSLPNBZDGDO-CABCVRRESA-N -1 0 340.423 3.510 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000825378170 604446631 /nfs/dbraw/zinc/44/66/31/604446631.db2.gz SCAMZVLMGQSGBZ-LBPRGKRZSA-N -1 0 346.814 3.528 20 0 EHADRM CC1(C)C[C@@H](NC(=O)c2ccc(C(=O)[O-])c(F)c2)c2ccccc21 ZINC000828056664 604451166 /nfs/dbraw/zinc/45/11/66/604451166.db2.gz VLCPMYBSNAUMGP-MRXNPFEDSA-N -1 0 327.355 3.676 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)CCCc2ccccc2)cc1 ZINC000825378192 604452531 /nfs/dbraw/zinc/45/25/31/604452531.db2.gz SMMSSDMJXSWWMG-OAHLLOKOSA-N -1 0 340.423 3.654 20 0 EHADRM Cc1cccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])c1F ZINC000830471000 604456498 /nfs/dbraw/zinc/45/64/98/604456498.db2.gz CZWMETWQTNEAAJ-UHFFFAOYSA-N -1 0 328.343 3.817 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1NC(=O)C1(NC(=O)[O-])CC1 ZINC000830129374 604457406 /nfs/dbraw/zinc/45/74/06/604457406.db2.gz QEMVWZTWXXMIHO-UHFFFAOYSA-N -1 0 326.352 3.526 20 0 EHADRM CN(Cc1coc(-c2ccc(Cl)cc2)n1)C1(C(=O)[O-])CCCC1 ZINC000391800406 604463159 /nfs/dbraw/zinc/46/31/59/604463159.db2.gz RXBDWINCSKLBRZ-UHFFFAOYSA-N -1 0 334.803 3.824 20 0 EHADRM O=C([O-])C[C@H]1CCCN1c1nc2ccccc2c(-c2ccccc2)n1 ZINC000571169276 604468715 /nfs/dbraw/zinc/46/87/15/604468715.db2.gz LONQBMYTXOQVSV-OAHLLOKOSA-N -1 0 333.391 3.740 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1c1nc2ccccc2c(-c2ccccc2)n1 ZINC000571169275 604468851 /nfs/dbraw/zinc/46/88/51/604468851.db2.gz LONQBMYTXOQVSV-HNNXBMFYSA-N -1 0 333.391 3.740 20 0 EHADRM CC(C)(C)SCCCC(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000833447065 604469305 /nfs/dbraw/zinc/46/93/05/604469305.db2.gz NEDYQVSMKWIPAE-AWEZNQCLSA-N -1 0 328.405 3.807 20 0 EHADRM CC(C)(C)O[C@H](C(=O)Nc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000833446013 604469325 /nfs/dbraw/zinc/46/93/25/604469325.db2.gz MRNUKODLWAYLSZ-AWEZNQCLSA-N -1 0 333.409 3.941 20 0 EHADRM C[C@H]1CSc2ccccc2N(C(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000833633490 604485430 /nfs/dbraw/zinc/48/54/30/604485430.db2.gz YOCGNUCEVIJRCS-GFCCVEGCSA-N -1 0 327.405 3.773 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)c1cc(F)cc2cccnc21 ZINC000262953041 604489368 /nfs/dbraw/zinc/48/93/68/604489368.db2.gz MZDYPSRGTMPHDA-ZBFHGGJFSA-N -1 0 344.386 3.527 20 0 EHADRM C[C@@H](Oc1ccccc1Cl)C(=O)OC1CCC(CC(=O)[O-])CC1 ZINC000833541728 604498199 /nfs/dbraw/zinc/49/81/99/604498199.db2.gz FAPFRDDEDSKNCS-PNESKVBLSA-N -1 0 340.803 3.684 20 0 EHADRM COc1ccc([C@H](NC(=O)Nc2cc(C(=O)[O-])cs2)C2CC2)cc1 ZINC000832246536 604507498 /nfs/dbraw/zinc/50/74/98/604507498.db2.gz YVMFFELBVSDIFQ-OAHLLOKOSA-N -1 0 346.408 3.728 20 0 EHADRM CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2cc(C(=O)[O-])cs2)C1 ZINC000830150038 604515582 /nfs/dbraw/zinc/51/55/82/604515582.db2.gz MIELZUIZLJEPEM-MNOVXSKESA-N -1 0 328.459 3.584 20 0 EHADRM CN(Cc1nc2ccccc2s1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000830879322 604520796 /nfs/dbraw/zinc/52/07/96/604520796.db2.gz GCJTZWSNSHGAQP-UHFFFAOYSA-N -1 0 347.421 3.720 20 0 EHADRM CC[C@H](OC(=O)Cc1cccc(C(=O)[O-])c1)c1ccc(OC)cc1 ZINC000833647201 604521249 /nfs/dbraw/zinc/52/12/49/604521249.db2.gz YNYCOUPXQHLMEU-KRWDZBQOSA-N -1 0 328.364 3.630 20 0 EHADRM CCN(Cc1c(F)cccc1F)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000829713211 604523735 /nfs/dbraw/zinc/52/37/35/604523735.db2.gz AEBXPOHXQLRZCQ-UHFFFAOYSA-N -1 0 340.351 3.779 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)N1CCC[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000826096544 604524225 /nfs/dbraw/zinc/52/42/25/604524225.db2.gz WYCRBWIOTJWNOA-USXIJHARSA-N -1 0 344.455 3.813 20 0 EHADRM C/C(=C\c1ccccc1Cl)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000761576120 604547818 /nfs/dbraw/zinc/54/78/18/604547818.db2.gz AOJNGEINBHNSPL-PCUGXKRQSA-N -1 0 329.783 3.685 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2cc3ccccc3n2C)oc1C(=O)[O-] ZINC000832873373 604570825 /nfs/dbraw/zinc/57/08/25/604570825.db2.gz BWDVMHDHPURAJW-NSHDSACASA-N -1 0 327.336 3.696 20 0 EHADRM C[C@@H](CC(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000262897850 604571701 /nfs/dbraw/zinc/57/17/01/604571701.db2.gz IKUBYNQKDJVDRP-SMDDNHRTSA-N -1 0 343.345 3.665 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)[C@H](C)Cc2cccc(F)c2)oc1C(=O)[O-] ZINC000832877913 604576140 /nfs/dbraw/zinc/57/61/40/604576140.db2.gz VHFKRUJONVUVBO-VXGBXAGGSA-N -1 0 334.343 3.908 20 0 EHADRM C/C(=C\C(=O)N1CCC[C@H]1CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000825717235 604577856 /nfs/dbraw/zinc/57/78/56/604577856.db2.gz TXIYHPJGEQMING-ZHZWZMEUSA-N -1 0 341.329 3.574 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2ccc3c(c2)CCCN3)oc1C(=O)[O-] ZINC000832876389 604579741 /nfs/dbraw/zinc/57/97/41/604579741.db2.gz TTZGOYMCKIHPCI-NSHDSACASA-N -1 0 329.352 3.562 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000262933147 604583304 /nfs/dbraw/zinc/58/33/04/604583304.db2.gz LKENJZVTLWTKTM-MJBXVCDLSA-N -1 0 342.222 3.563 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000262933138 604583906 /nfs/dbraw/zinc/58/39/06/604583906.db2.gz LKENJZVTLWTKTM-BFHYXJOUSA-N -1 0 342.222 3.563 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)Cc1coc2ccc3ccccc3c12 ZINC000562620710 604591600 /nfs/dbraw/zinc/59/16/00/604591600.db2.gz NLVZANXSTKQYFJ-OAHLLOKOSA-N -1 0 337.375 3.594 20 0 EHADRM COc1cc(C)c(C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)cc1OC ZINC000831961585 604597406 /nfs/dbraw/zinc/59/74/06/604597406.db2.gz GNPUIMABCLKTAU-LLVKDONJSA-N -1 0 348.351 3.530 20 0 EHADRM Cc1cc([C@H](C)OC(=O)COC/C=C\c2ccccc2)oc1C(=O)[O-] ZINC000832872683 604601768 /nfs/dbraw/zinc/60/17/68/604601768.db2.gz TYAISNCDEKWMBA-PIZKADEWSA-N -1 0 344.363 3.620 20 0 EHADRM COc1ccc(C(C)(C)C(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC000832216729 604614640 /nfs/dbraw/zinc/61/46/40/604614640.db2.gz KWQOFKHPZGJMIH-LLVKDONJSA-N -1 0 332.352 3.568 20 0 EHADRM CC(C)Oc1cccc(CN(C)[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000833507571 604621196 /nfs/dbraw/zinc/62/11/96/604621196.db2.gz VODKWZOVZCRYSO-SFHVURJKSA-N -1 0 331.387 3.871 20 0 EHADRM C[C@H](CN(Cc1ccccc1)c1nc(C(F)(F)F)cs1)C(=O)[O-] ZINC000827456688 604632826 /nfs/dbraw/zinc/63/28/26/604632826.db2.gz ZYPFIKHEUOSTJN-SNVBAGLBSA-N -1 0 344.358 3.889 20 0 EHADRM C[C@H](Oc1ccc(CN2CC[C@@H]2c2cccc(F)c2)cc1)C(=O)[O-] ZINC000833542639 604664721 /nfs/dbraw/zinc/66/47/21/604664721.db2.gz RNNKPKRGLSMWHY-SCLBCKFNSA-N -1 0 329.371 3.625 20 0 EHADRM O=C([O-])[C@H](NCc1csc(Nc2ccccc2)n1)c1ccccc1 ZINC000833169366 604668661 /nfs/dbraw/zinc/66/86/61/604668661.db2.gz GNICYKACAZQSND-MRXNPFEDSA-N -1 0 339.420 3.802 20 0 EHADRM C[C@@H](c1ccc(F)cc1)N(C)C(=O)CCc1ccccc1C(=O)[O-] ZINC000262252254 604671704 /nfs/dbraw/zinc/67/17/04/604671704.db2.gz VOUYOPISKDPGQU-ZDUSSCGKSA-N -1 0 329.371 3.676 20 0 EHADRM Cc1cc([C@H](C)Sc2nnc(-c3ccco3)n2C)oc1C(=O)[O-] ZINC000832874454 604675500 /nfs/dbraw/zinc/67/55/00/604675500.db2.gz PAVVGTPWJOEIQA-VIFPVBQESA-N -1 0 333.369 3.528 20 0 EHADRM CN(CCOC(C)(C)C)Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000830789290 604677280 /nfs/dbraw/zinc/67/72/80/604677280.db2.gz LOWPMHYRFJKAST-UHFFFAOYSA-N -1 0 348.468 3.755 20 0 EHADRM C[C@H](c1c(F)cccc1F)N(C)C(=O)CCc1ccccc1C(=O)[O-] ZINC000833546719 604681442 /nfs/dbraw/zinc/68/14/42/604681442.db2.gz LHNZQOLNPIGKLC-GFCCVEGCSA-N -1 0 347.361 3.815 20 0 EHADRM CCCOc1ccc([C@@H](C)NC(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC000833651807 604682176 /nfs/dbraw/zinc/68/21/76/604682176.db2.gz ATXJNCMEIDEJRL-CQSZACIVSA-N -1 0 341.407 3.594 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)N[C@H](c1ccccc1F)C1CCCC1 ZINC000833209395 604690072 /nfs/dbraw/zinc/69/00/72/604690072.db2.gz DKMFSCOSGALLMB-KSSFIOAISA-N -1 0 348.418 3.706 20 0 EHADRM CN(Cc1ccc(NC(=O)c2ccc(F)c(Cl)c2)cc1)C(=O)[O-] ZINC000830835578 604694103 /nfs/dbraw/zinc/69/41/03/604694103.db2.gz HJQMOIMDLWCQOX-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000761680317 604695666 /nfs/dbraw/zinc/69/56/66/604695666.db2.gz RFOCTUIGJCMIRS-FMIVXFBMSA-N -1 0 345.782 3.845 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)Cc1ccc(F)cc1Cl)c1ccccc1 ZINC000826031887 604703974 /nfs/dbraw/zinc/70/39/74/604703974.db2.gz WFCCNEFZUSXJJF-APPDUMDISA-N -1 0 349.789 3.600 20 0 EHADRM CCc1cc(C)c(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])o1 ZINC000830218753 604707804 /nfs/dbraw/zinc/70/78/04/604707804.db2.gz MSNGFKRGJUFKAI-INIZCTEOSA-N -1 0 329.396 3.732 20 0 EHADRM CC(C)(C)[C@H](NC(=O)Cc1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000538576477 604709367 /nfs/dbraw/zinc/70/93/67/604709367.db2.gz NQSLYPBDFADFBZ-GOSISDBHSA-N -1 0 343.398 3.970 20 0 EHADRM Cc1cc([C@H](C)Sc2nnc(N3CCCC3)s2)oc1C(=O)[O-] ZINC000832876318 604714741 /nfs/dbraw/zinc/71/47/41/604714741.db2.gz XCKKXQVVCLWDRT-VIFPVBQESA-N -1 0 339.442 3.591 20 0 EHADRM CC(C)(CNC(=O)Cc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000833457576 604716629 /nfs/dbraw/zinc/71/66/29/604716629.db2.gz LWPPRJAJZWAVKE-UHFFFAOYSA-N -1 0 345.826 3.675 20 0 EHADRM O=C([O-])CCc1csc(NC(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000833240077 604722294 /nfs/dbraw/zinc/72/22/94/604722294.db2.gz BWNFKEVFIQYDDD-UHFFFAOYSA-N -1 0 345.207 3.719 20 0 EHADRM CN(C(=O)C[C@H](c1ccccc1)C(F)(F)F)C1(C(=O)[O-])CCCC1 ZINC000830464047 604729021 /nfs/dbraw/zinc/72/90/21/604729021.db2.gz FBPRZNWEOODBGD-CYBMUJFWSA-N -1 0 343.345 3.578 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)Nc2nc(CCC(=O)[O-])cs2)cc1 ZINC000828764150 604730448 /nfs/dbraw/zinc/73/04/48/604730448.db2.gz GUCCLZFXLGBVPS-NSHDSACASA-N -1 0 348.424 3.590 20 0 EHADRM CC(C)Cc1ccc(C(=O)Nc2nc(CCC(=O)[O-])cs2)cc1 ZINC000826912538 604731879 /nfs/dbraw/zinc/73/18/79/604731879.db2.gz AJLVJDFWZZBXPS-UHFFFAOYSA-N -1 0 332.425 3.611 20 0 EHADRM CC/C(=C\C(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccccc1 ZINC000828548906 604732667 /nfs/dbraw/zinc/73/26/67/604732667.db2.gz HCCAQCPRYHCDDN-ZRDIBKRKSA-N -1 0 330.409 3.592 20 0 EHADRM O=C([O-])CCc1csc(NC(=O)c2csc3ccccc23)n1 ZINC000833243923 604733192 /nfs/dbraw/zinc/73/31/92/604733192.db2.gz OIVIECZMVCCYHT-UHFFFAOYSA-N -1 0 332.406 3.627 20 0 EHADRM CC(C)c1cccc(C(C)C)c1NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000824470141 604733609 /nfs/dbraw/zinc/73/36/09/604733609.db2.gz MDMRTSWVRWQPKU-CQSZACIVSA-N -1 0 348.443 3.641 20 0 EHADRM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000833632323 604743273 /nfs/dbraw/zinc/74/32/73/604743273.db2.gz LBUVYAUWJHRJNS-QWRGUYRKSA-N -1 0 345.345 3.811 20 0 EHADRM Cc1[nH]c(C(=O)COc2cc(Cl)ccc2Cl)c(C)c1C(=O)[O-] ZINC000832843471 604768053 /nfs/dbraw/zinc/76/80/53/604768053.db2.gz MTUSVWRBLUSHSL-UHFFFAOYSA-N -1 0 342.178 3.898 20 0 EHADRM CC(C)OC[C@H](C(=O)[O-])N(C)Cc1cc(-c2ccccc2)cs1 ZINC000833506159 604770413 /nfs/dbraw/zinc/77/04/13/604770413.db2.gz ULOOXNRKGHOMJQ-QGZVFWFLSA-N -1 0 333.453 3.725 20 0 EHADRM Cc1ccc(Br)cc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000135825215 604781764 /nfs/dbraw/zinc/78/17/64/604781764.db2.gz WEUGRIQJQRUTEM-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM C[C@@H]1CCC[C@@H](C(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)C1 ZINC000828233830 604782902 /nfs/dbraw/zinc/78/29/02/604782902.db2.gz SVHWRRAFXZFGFQ-HUUCEWRRSA-N -1 0 344.455 3.614 20 0 EHADRM Cc1nc(C)c(COc2cc(Br)cc(C(=O)[O-])c2)s1 ZINC000700731925 604795458 /nfs/dbraw/zinc/79/54/58/604795458.db2.gz XGTDWAWFJMCDPM-UHFFFAOYSA-N -1 0 342.214 3.800 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)C2(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000833775824 604797470 /nfs/dbraw/zinc/79/74/70/604797470.db2.gz RXPDMGOBNRMUAG-UHFFFAOYSA-N -1 0 344.794 3.895 20 0 EHADRM CC(C)c1ncc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)s1 ZINC000262842142 604827375 /nfs/dbraw/zinc/82/73/75/604827375.db2.gz ZZTDQDWJHADTQI-UHFFFAOYSA-N -1 0 332.425 3.881 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)cc1F ZINC000833141714 604832029 /nfs/dbraw/zinc/83/20/29/604832029.db2.gz XXVZVGZEBCHSOY-ONGXEEELSA-N -1 0 347.308 3.622 20 0 EHADRM CC(C)(C)C(=O)c1ccsc1NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000833423088 604835378 /nfs/dbraw/zinc/83/53/78/604835378.db2.gz LBZPKUYCGIKCPO-UHFFFAOYSA-N -1 0 345.420 3.856 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2CCCc3sccc32)c(F)cc1F ZINC000322407392 604841026 /nfs/dbraw/zinc/84/10/26/604841026.db2.gz XQALRSHHMZHXRX-VIFPVBQESA-N -1 0 337.347 3.783 20 0 EHADRM CCCCn1ncc(NC(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1C ZINC000829448166 604850406 /nfs/dbraw/zinc/85/04/06/604850406.db2.gz ZGEOHMQKKOKKSH-UHFFFAOYSA-N -1 0 330.388 3.642 20 0 EHADRM CCCCS[C@@H](C)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000262189870 604851191 /nfs/dbraw/zinc/85/11/91/604851191.db2.gz PSEMSMWWLTUIOK-JTQLQIEISA-N -1 0 345.848 3.664 20 0 EHADRM O=C([O-])c1ccc(C(=O)OCc2cc(-c3cccs3)on2)cc1F ZINC000833353272 604857537 /nfs/dbraw/zinc/85/75/37/604857537.db2.gz QFFZQIZMFWVWJA-UHFFFAOYSA-N -1 0 347.323 3.597 20 0 EHADRM CC(C)Oc1cccc(COC(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000827058442 604860443 /nfs/dbraw/zinc/86/04/43/604860443.db2.gz FMNQOZHHNRPSDO-UHFFFAOYSA-N -1 0 332.327 3.668 20 0 EHADRM CN(C(=O)c1ccc(-c2ccc(F)cc2)o1)C1(C(=O)[O-])CCCCC1 ZINC000431980125 604866526 /nfs/dbraw/zinc/86/65/26/604866526.db2.gz IBEPJRJJWYXYMC-UHFFFAOYSA-N -1 0 345.370 3.945 20 0 EHADRM CC(C)(C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1)c1ccccc1 ZINC000833411794 604877227 /nfs/dbraw/zinc/87/72/27/604877227.db2.gz PDPMNXIJRLHWAY-UHFFFAOYSA-N -1 0 330.409 3.635 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000611478731 604878343 /nfs/dbraw/zinc/87/83/43/604878343.db2.gz YUJRMGQWZMJOLT-GDBMZVCRSA-N -1 0 349.496 3.658 20 0 EHADRM C[C@@H](C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1)c1ccccc1F ZINC000833410997 604879317 /nfs/dbraw/zinc/87/93/17/604879317.db2.gz KGLXBVOJFAPTMG-MRVPVSSYSA-N -1 0 334.372 3.600 20 0 EHADRM C/C(=C/C(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F)C1CC1 ZINC000833381404 604881663 /nfs/dbraw/zinc/88/16/63/604881663.db2.gz AYAPSKXIBPPUMS-QIAWRQBBSA-N -1 0 328.286 3.888 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cc3c(s2)CCCCC3)C1 ZINC000325342491 604883873 /nfs/dbraw/zinc/88/38/73/604883873.db2.gz JBBWPFGZHNQNEZ-AWEZNQCLSA-N -1 0 349.496 3.980 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c(C)n1C(C)C ZINC000679104007 604883961 /nfs/dbraw/zinc/88/39/61/604883961.db2.gz OHXFXTXSJGBLPH-OAHLLOKOSA-N -1 0 334.460 3.649 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000325396468 604888393 /nfs/dbraw/zinc/88/83/93/604888393.db2.gz XEFBLNSSMYQSIE-CYBMUJFWSA-N -1 0 343.345 3.668 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)CCc2ccc(Cl)cc2)C1 ZINC000679105864 604892046 /nfs/dbraw/zinc/89/20/46/604892046.db2.gz SZNICNDBZZXZRM-AWEZNQCLSA-N -1 0 337.847 3.622 20 0 EHADRM C[C@@]1(NC(=O)c2cc(Cl)ccc2Cl)CCCC[C@H]1C(=O)[O-] ZINC000262782481 604892294 /nfs/dbraw/zinc/89/22/94/604892294.db2.gz MGJLIAMKYWKQJC-XHDPSFHLSA-N -1 0 330.211 3.757 20 0 EHADRM CCOc1ccc([C@H]2CCCN2C(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000236854798 604894121 /nfs/dbraw/zinc/89/41/21/604894121.db2.gz RALMCWZRPLKKTH-GOSISDBHSA-N -1 0 339.391 3.761 20 0 EHADRM O=C([O-])c1cncc(NC(=O)c2ccc(SC(F)(F)F)cc2)c1 ZINC000320598825 604898641 /nfs/dbraw/zinc/89/86/41/604898641.db2.gz XLQZUZKBTFKTIA-UHFFFAOYSA-N -1 0 342.298 3.644 20 0 EHADRM C[C@H](CC(=O)N1CCCC[C@@H]1CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000683325099 604910364 /nfs/dbraw/zinc/91/03/64/604910364.db2.gz MGAVDMXSBAYMPU-XJKSGUPXSA-N -1 0 337.847 3.765 20 0 EHADRM CC[C@H](C)C[C@H](C)NC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000828736480 604921102 /nfs/dbraw/zinc/92/11/02/604921102.db2.gz HUCNAPCPDNYJOE-QWRGUYRKSA-N -1 0 342.823 3.750 20 0 EHADRM C[C@@H](c1c(F)cccc1F)N(C)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000827928392 604929154 /nfs/dbraw/zinc/92/91/54/604929154.db2.gz GMBUVCSTOPZNCY-VIFPVBQESA-N -1 0 337.297 3.635 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000826687906 604931764 /nfs/dbraw/zinc/93/17/64/604931764.db2.gz RUUOCXCQOMANFK-MRXNPFEDSA-N -1 0 329.371 3.694 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCc2ccc(-c3ccccc3)o2)cc1F ZINC000833144537 604943547 /nfs/dbraw/zinc/94/35/47/604943547.db2.gz WQRHVFKAQCJCOU-UHFFFAOYSA-N -1 0 339.322 3.714 20 0 EHADRM C[C@]1(NC(=O)c2cncc(-c3ccccc3)c2)CCCC[C@H]1C(=O)[O-] ZINC000833573827 604963080 /nfs/dbraw/zinc/96/30/80/604963080.db2.gz VTEKGOBSPWLWQQ-PXNSSMCTSA-N -1 0 338.407 3.512 20 0 EHADRM C[C@H](CC(=O)N1CC[C@@H]1c1cccc(F)c1)C1CCN(C(=O)[O-])CC1 ZINC000824569999 604967570 /nfs/dbraw/zinc/96/75/70/604967570.db2.gz AHYBKONUQUYNGT-CXAGYDPISA-N -1 0 348.418 3.515 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000833210337 604971854 /nfs/dbraw/zinc/97/18/54/604971854.db2.gz HXMFXOZLUYHRKD-SECBINFHSA-N -1 0 333.240 3.629 20 0 EHADRM O=C([O-])c1ccnc(-c2nc3ccc(-c4ccccc4)cc3c(=O)[nH]2)c1 ZINC000833335414 604972371 /nfs/dbraw/zinc/97/23/71/604972371.db2.gz WPPRVQRKMBICGP-UHFFFAOYSA-N -1 0 343.342 3.763 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2nc(CCC(=O)[O-])cs2)cc1C ZINC000832921766 604980430 /nfs/dbraw/zinc/98/04/30/604980430.db2.gz VRIWDBHWTDGWJB-LBPRGKRZSA-N -1 0 347.440 3.660 20 0 EHADRM CCc1nc(NC(=O)/C(C)=C\c2ccc(F)cc2)sc1C(=O)[O-] ZINC000833673536 604993294 /nfs/dbraw/zinc/99/32/94/604993294.db2.gz JBQOJLQFASBVBA-HJWRWDBZSA-N -1 0 334.372 3.585 20 0 EHADRM CCC(CC)N(CC(C)C)C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000828863091 604993352 /nfs/dbraw/zinc/99/33/52/604993352.db2.gz VQSWBGXNCBCWHE-UHFFFAOYSA-N -1 0 341.477 3.839 20 0 EHADRM O=C([O-])[C@@H](Nc1ccc(OC2CCCC2)c(F)c1)c1cccnc1 ZINC000833169954 605005128 /nfs/dbraw/zinc/00/51/28/605005128.db2.gz NCRLXYZUGZTMKS-KRWDZBQOSA-N -1 0 330.359 3.780 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NCC1(Cc2ccccc2)CC1 ZINC000832914719 605011401 /nfs/dbraw/zinc/01/14/01/605011401.db2.gz FMBRAPCMDBKBON-UHFFFAOYSA-N -1 0 338.407 3.838 20 0 EHADRM Cc1scc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c1C ZINC000263543141 605013516 /nfs/dbraw/zinc/01/35/16/605013516.db2.gz RVXNGKUGINIXGP-AWEZNQCLSA-N -1 0 337.828 3.964 20 0 EHADRM C[C@H](C(=O)Nc1ccc(CCC(=O)[O-])cc1)c1c(F)cccc1F ZINC000833408028 605030247 /nfs/dbraw/zinc/03/02/47/605030247.db2.gz FWUGQCQPWHVORE-NSHDSACASA-N -1 0 333.334 3.724 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cncc(C(=O)[O-])c1 ZINC000630153044 605031411 /nfs/dbraw/zinc/03/14/11/605031411.db2.gz PNRNMXNUGXXFEC-NEPJUHHUSA-N -1 0 346.814 3.697 20 0 EHADRM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000833547914 605047033 /nfs/dbraw/zinc/04/70/33/605047033.db2.gz YTFHWOILCSTHNG-LBPRGKRZSA-N -1 0 325.368 3.561 20 0 EHADRM C[C@@H](c1nc(-c2ccccc2)no1)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000833550456 605047547 /nfs/dbraw/zinc/04/75/47/605047547.db2.gz MGQJXHDFLRLHCP-ZDUSSCGKSA-N -1 0 337.379 3.628 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)N2CCC(CC(=O)[O-])CC2)cc1 ZINC000263058091 605054172 /nfs/dbraw/zinc/05/41/72/605054172.db2.gz GCRLUVTUCYSNDG-UHFFFAOYSA-N -1 0 331.456 3.531 20 0 EHADRM C[C@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)[C@@H]1CC1(C)C ZINC000833549811 605060213 /nfs/dbraw/zinc/06/02/13/605060213.db2.gz OZJWQHBNGJGUPX-OCCSQVGLSA-N -1 0 342.395 3.509 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)Cc1csc2ccc(Cl)cc12 ZINC000262792131 605063156 /nfs/dbraw/zinc/06/31/56/605063156.db2.gz PXWVJENQVFCAIP-UHFFFAOYSA-N -1 0 339.844 3.809 20 0 EHADRM C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CC[C@](F)(C(=O)[O-])C1 ZINC000833551290 605071863 /nfs/dbraw/zinc/07/18/63/605071863.db2.gz SAAUPXCUJILSAB-MGPLVRAMSA-N -1 0 338.766 3.555 20 0 EHADRM C[C@H](OC(=O)c1ccc(C(=O)[O-])c(F)c1)c1nc2ccccc2o1 ZINC000833531594 605090276 /nfs/dbraw/zinc/09/02/76/605090276.db2.gz JKBIOOVKGGPZMA-VIFPVBQESA-N -1 0 329.283 3.583 20 0 EHADRM C[C@@H](Oc1ccc(CNC2(c3nccs3)CCCC2)cc1)C(=O)[O-] ZINC000833541235 605094169 /nfs/dbraw/zinc/09/41/69/605094169.db2.gz PRASJACZJKWDLR-CYBMUJFWSA-N -1 0 346.452 3.554 20 0 EHADRM CCC(CC)(CNC(=O)N1CCC[C@@H]1c1ccc(C)cc1)C(=O)[O-] ZINC000424415310 605099141 /nfs/dbraw/zinc/09/91/41/605099141.db2.gz SEGZNFKBELLBPY-MRXNPFEDSA-N -1 0 332.444 3.733 20 0 EHADRM CCC(CC)(CNC(=O)N1CCC[C@@H]1c1ccc(F)cc1)C(=O)[O-] ZINC000424415330 605099207 /nfs/dbraw/zinc/09/92/07/605099207.db2.gz SJDAXHXEULIICZ-OAHLLOKOSA-N -1 0 336.407 3.563 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCCc2cc(C(F)(F)F)ccc21 ZINC000833451025 605103285 /nfs/dbraw/zinc/10/32/85/605103285.db2.gz CRCKUXRIXCUWPU-UHFFFAOYSA-N -1 0 343.345 3.876 20 0 EHADRM CC[C@H](NC(=O)[O-])c1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000827550785 605120324 /nfs/dbraw/zinc/12/03/24/605120324.db2.gz JLXZJBLZUWRKKV-HNNXBMFYSA-N -1 0 337.379 3.969 20 0 EHADRM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2C(=O)c1csc2ccccc12 ZINC000832234662 605145516 /nfs/dbraw/zinc/14/55/16/605145516.db2.gz GKAWNVAQFGWMQW-YHWZYXNKSA-N -1 0 344.436 3.695 20 0 EHADRM CC(C)(C)C[C@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)[O-] ZINC000833429896 605150117 /nfs/dbraw/zinc/15/01/17/605150117.db2.gz PWGAEBXJPXFPFU-ZDUSSCGKSA-N -1 0 346.456 3.657 20 0 EHADRM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2C(=O)CCCC1CCCCC1 ZINC000832228812 605155158 /nfs/dbraw/zinc/15/51/58/605155158.db2.gz RPZHICJENQFSGR-ALOPSCKCSA-N -1 0 336.476 3.917 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)N[C@H]2CCCc3cc(F)ccc32)cc1 ZINC000833776156 605157960 /nfs/dbraw/zinc/15/79/60/605157960.db2.gz XGGIJBSQONFWDF-KRWDZBQOSA-N -1 0 342.370 3.652 20 0 EHADRM C[C@H](c1ccccc1C(F)(F)F)[C@H](C)Nc1ccc(C(=O)[O-])nn1 ZINC000833524676 605158771 /nfs/dbraw/zinc/15/87/71/605158771.db2.gz HVWOKERLWMHROY-UWVGGRQHSA-N -1 0 339.317 3.798 20 0 EHADRM C[C@](CNC(=O)[O-])(NCc1ncc(-c2cccc(Cl)c2)o1)C1CC1 ZINC000824953462 605169579 /nfs/dbraw/zinc/16/95/79/605169579.db2.gz WFGCPSRZJHYNOD-QGZVFWFLSA-N -1 0 349.818 3.521 20 0 EHADRM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000385308087 605171819 /nfs/dbraw/zinc/17/18/19/605171819.db2.gz UDXLNEVEXCATRI-ZDUSSCGKSA-N -1 0 339.395 3.612 20 0 EHADRM O=C([O-])c1cccc(COC(=O)c2cccc([C@@H]3CCCOC3)c2)c1 ZINC000833783548 605180904 /nfs/dbraw/zinc/18/09/04/605180904.db2.gz PTPOBOBVMWIRSG-GOSISDBHSA-N -1 0 340.375 3.636 20 0 EHADRM CC(C)(C)SCCCC(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000833447764 605181481 /nfs/dbraw/zinc/18/14/81/605181481.db2.gz VKBNHDUZYLJQLB-NSHDSACASA-N -1 0 329.487 3.692 20 0 EHADRM COCc1ccc(S[C@H](C(=O)[O-])c2cccc(C(=O)OC)c2)cc1 ZINC000833725683 605183911 /nfs/dbraw/zinc/18/39/11/605183911.db2.gz FXXIAFUHZHPITH-INIZCTEOSA-N -1 0 346.404 3.538 20 0 EHADRM CCc1ccc([C@H](C)N[C@@H](C(=O)OC)c2cccc(C(=O)[O-])c2)cc1 ZINC000833671482 605194377 /nfs/dbraw/zinc/19/43/77/605194377.db2.gz ZDMYQGWCPOIJLF-SCLBCKFNSA-N -1 0 341.407 3.512 20 0 EHADRM CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC000833654768 605198436 /nfs/dbraw/zinc/19/84/36/605198436.db2.gz FHRAFDOPCLUFPS-UHFFFAOYSA-N -1 0 347.436 3.525 20 0 EHADRM CC(C)CCCS[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)C(C)C ZINC000833481092 605208711 /nfs/dbraw/zinc/20/87/11/605208711.db2.gz QUNQNQBHEVPLNL-OAHLLOKOSA-N -1 0 329.506 3.504 20 0 EHADRM C[C@H](CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-])c1ccc(F)cc1 ZINC000833514554 605227657 /nfs/dbraw/zinc/22/76/57/605227657.db2.gz UHAPMTZOEXHDRM-CABCVRRESA-N -1 0 343.398 3.821 20 0 EHADRM C[C@@H](CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-])c1ccc(F)cc1 ZINC000833514555 605227795 /nfs/dbraw/zinc/22/77/95/605227795.db2.gz UHAPMTZOEXHDRM-GJZGRUSLSA-N -1 0 343.398 3.821 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)c1cc(Br)cs1)C(=O)[O-] ZINC000833428303 605229611 /nfs/dbraw/zinc/22/96/11/605229611.db2.gz QENQBKMXAWRUCJ-MRVPVSSYSA-N -1 0 335.219 3.557 20 0 EHADRM Cc1nc(-c2ccc3ccccc3c2)n(C[C@H]2CC(C(=O)[O-])=C(C)O2)n1 ZINC000833578451 605235012 /nfs/dbraw/zinc/23/50/12/605235012.db2.gz IKCVRIWENFZERT-QGZVFWFLSA-N -1 0 349.390 3.554 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000448988516 605240526 /nfs/dbraw/zinc/24/05/26/605240526.db2.gz FETOWBJFXRSTJF-CJNGLKHVSA-N -1 0 331.437 3.649 20 0 EHADRM CCCC(=O)Nc1cccc(NCC2CCN(C(=O)[O-])CC2)c1C ZINC000826705731 605240563 /nfs/dbraw/zinc/24/05/63/605240563.db2.gz HJDHEMKMNUHSIM-UHFFFAOYSA-N -1 0 333.432 3.536 20 0 EHADRM CCOc1ccc(OCC)c(NCc2ccc(NC(=O)[O-])nc2)c1 ZINC000827444898 605240839 /nfs/dbraw/zinc/24/08/39/605240839.db2.gz QFDGSCLHHLBEKH-UHFFFAOYSA-N -1 0 331.372 3.581 20 0 EHADRM C[C@@H]1CN(C(=O)NCCc2ccc(NC(=O)[O-])cc2)[C@H]2CCCC[C@@H]12 ZINC000833620815 605242974 /nfs/dbraw/zinc/24/29/74/605242974.db2.gz GORHYDOAIHTGIK-COXVUDFISA-N -1 0 345.443 3.539 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cn1 ZINC000833782693 605249451 /nfs/dbraw/zinc/24/94/51/605249451.db2.gz MPUZBRNAFJSGBR-UHFFFAOYSA-N -1 0 342.370 3.760 20 0 EHADRM CC(C)[C@H](SCc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC000833469699 605253534 /nfs/dbraw/zinc/25/35/34/605253534.db2.gz BWNCEHIYEBWXNF-INIZCTEOSA-N -1 0 344.436 3.676 20 0 EHADRM O=C([O-])N(CC(=O)N1CCC[C@@H]1c1ccsc1)c1ccccc1 ZINC000831821921 605265288 /nfs/dbraw/zinc/26/52/88/605265288.db2.gz ZNCLTTGLVRIKFM-OAHLLOKOSA-N -1 0 330.409 3.596 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)[C@H]2CCc3c2cccc3Cl)C1 ZINC000833415129 605267421 /nfs/dbraw/zinc/26/74/21/605267421.db2.gz JVVFLXFMEXIMML-WFASDCNBSA-N -1 0 349.858 3.719 20 0 EHADRM C[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833549637 605282746 /nfs/dbraw/zinc/28/27/46/605282746.db2.gz FZJQXIDVDOGZFE-JTQLQIEISA-N -1 0 332.335 3.536 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(NC(=O)[O-])c(F)c1)c1ccncc1 ZINC000833643014 605283052 /nfs/dbraw/zinc/28/30/52/605283052.db2.gz LNPHEXXNRUQEDR-ZDUSSCGKSA-N -1 0 332.335 3.583 20 0 EHADRM COc1ccc(CCC(=O)OCc2ccc(NC(=O)[O-])cc2)cc1F ZINC000833731635 605305677 /nfs/dbraw/zinc/30/56/77/605305677.db2.gz LZIOULACROQABY-UHFFFAOYSA-N -1 0 347.342 3.600 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1 ZINC000834257280 605308659 /nfs/dbraw/zinc/30/86/59/605308659.db2.gz LONQXSRDIHYPHH-UHFFFAOYSA-N -1 0 338.285 3.725 20 0 EHADRM C[C@H]1CCC[C@H]1C(=O)Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1 ZINC000833608681 605321466 /nfs/dbraw/zinc/32/14/66/605321466.db2.gz OMRGYZCUYCLBEH-GXFFZTMASA-N -1 0 330.409 3.883 20 0 EHADRM Cc1nc2ccccc2nc1S[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000833755961 605335968 /nfs/dbraw/zinc/33/59/68/605335968.db2.gz FKSWVNORIIABIV-MRXNPFEDSA-N -1 0 342.395 3.865 20 0 EHADRM CC[C@H]1CN(C(=O)c2ccc(C(C)(C)C)s2)CC[C@@H]1NC(=O)[O-] ZINC000833851563 605346393 /nfs/dbraw/zinc/34/63/93/605346393.db2.gz PVEPJCDCHLGLKN-RYUDHWBXSA-N -1 0 338.473 3.554 20 0 EHADRM Cc1ccccc1-c1csc(=O)n1Cc1ccccc1C(=O)[O-] ZINC000833753396 605353424 /nfs/dbraw/zinc/35/34/24/605353424.db2.gz TUWBSIDQMZKVSA-UHFFFAOYSA-N -1 0 325.389 3.632 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N3CC[C@@H](NC(=O)[O-])C[C@H]3C)[nH]c2c1 ZINC000824469487 605363029 /nfs/dbraw/zinc/36/30/29/605363029.db2.gz ARVPQFNCOCJEOD-IUODEOHRSA-N -1 0 343.427 3.552 20 0 EHADRM Cc1ccc(C(=O)NCCc2cc3ccccc3[nH]2)cc1NC(=O)[O-] ZINC000830219824 605365279 /nfs/dbraw/zinc/36/52/79/605365279.db2.gz KMPPIZCNKJAZOG-UHFFFAOYSA-N -1 0 337.379 3.539 20 0 EHADRM C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000226514104 605365935 /nfs/dbraw/zinc/36/59/35/605365935.db2.gz HJTWVPLQXLFRPZ-SCZZXKLOSA-N -1 0 326.190 3.522 20 0 EHADRM Cc1cnn(-c2ccc(C(=O)[O-])cc2NC(=O)[C@H](C)c2ccccc2)c1 ZINC000833754279 605367550 /nfs/dbraw/zinc/36/75/50/605367550.db2.gz KOEWCSOEWNYLSZ-CQSZACIVSA-N -1 0 349.390 3.621 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N2CCc3c(F)cccc3C2)cc1 ZINC000834263770 605379310 /nfs/dbraw/zinc/37/93/10/605379310.db2.gz XMVPHKBWFDOAOX-UHFFFAOYSA-N -1 0 329.331 3.506 20 0 EHADRM C[C@H]1CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C[C@@H]1F ZINC000833616160 605391075 /nfs/dbraw/zinc/39/10/75/605391075.db2.gz RYDWNDUHKITRAC-NHYWBVRUSA-N -1 0 334.416 3.688 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000192845249 605416577 /nfs/dbraw/zinc/41/65/77/605416577.db2.gz PEOUVQXNGHISRA-MAUKXSAKSA-N -1 0 325.408 3.506 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000192876387 605419556 /nfs/dbraw/zinc/41/95/56/605419556.db2.gz VXXDHTGVZMUODP-HNNXBMFYSA-N -1 0 325.408 3.530 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000833384860 605449509 /nfs/dbraw/zinc/44/95/09/605449509.db2.gz RADGMMWJNBTBHT-KQPPXVQYSA-N -1 0 345.345 3.619 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)NCc1cccc(C(=O)[O-])c1)C(F)(F)F ZINC000666564493 605451737 /nfs/dbraw/zinc/45/17/37/605451737.db2.gz YKKBRVJBBWSDNK-GFCCVEGCSA-N -1 0 346.349 3.551 20 0 EHADRM O=C([O-])N1CCC[C@H]1CCC(=O)Nc1scnc1-c1ccccc1 ZINC000833997101 605456780 /nfs/dbraw/zinc/45/67/80/605456780.db2.gz SUQVEFBKQADMTI-ZDUSSCGKSA-N -1 0 345.424 3.671 20 0 EHADRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)Nc1ccc(Cl)cc1Cl ZINC000825830388 605472036 /nfs/dbraw/zinc/47/20/36/605472036.db2.gz FZICUMSLIJMTJF-PSASIEDQSA-N -1 0 346.214 3.646 20 0 EHADRM CCO[C@@H](C(=O)OCc1cccc(NC(=O)[O-])c1)c1ccccc1 ZINC000827361822 605544689 /nfs/dbraw/zinc/54/46/89/605544689.db2.gz KYLAYJNQLHBYNF-MRXNPFEDSA-N -1 0 329.352 3.598 20 0 EHADRM CC(C)Cc1ncc(CN2CCc3ccc(C(=O)[O-])cc3C2)s1 ZINC000833491957 605546534 /nfs/dbraw/zinc/54/65/34/605546534.db2.gz CCKAOSRFMLDTCN-UHFFFAOYSA-N -1 0 330.453 3.598 20 0 EHADRM CSc1ccc(NC(=O)C[C@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000829766055 605571547 /nfs/dbraw/zinc/57/15/47/605571547.db2.gz CIRGBESGWLEDIQ-HNNXBMFYSA-N -1 0 330.409 3.746 20 0 EHADRM CCCCc1nnc(NC(=O)c2ccc(NC(=O)[O-])c(C)c2)s1 ZINC000826852582 605571971 /nfs/dbraw/zinc/57/19/71/605571971.db2.gz BXXGTQPMRIGITR-UHFFFAOYSA-N -1 0 334.401 3.531 20 0 EHADRM O=C([O-])NCCSc1nnc(-c2ccccc2)c2ccccc21 ZINC000834245007 605574871 /nfs/dbraw/zinc/57/48/71/605574871.db2.gz LUDCEWIRCRGQAO-UHFFFAOYSA-N -1 0 325.393 3.657 20 0 EHADRM Cc1cc(C(=O)N2CCSc3ccccc32)ccc1NC(=O)[O-] ZINC000829935274 605575910 /nfs/dbraw/zinc/57/59/10/605575910.db2.gz YGWJHWHHBVNUKU-UHFFFAOYSA-N -1 0 328.393 3.837 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(NC(=O)[O-])c(C)c1)c1ccc(OC)cc1 ZINC000826613802 605580103 /nfs/dbraw/zinc/58/01/03/605580103.db2.gz RBZYJQUSWMJVBW-MRXNPFEDSA-N -1 0 342.395 3.975 20 0 EHADRM Cc1cc(C(=O)NCCc2cccc3cccnc32)ccc1NC(=O)[O-] ZINC000829949916 605591238 /nfs/dbraw/zinc/59/12/38/605591238.db2.gz BXHPMUNSMIGORQ-UHFFFAOYSA-N -1 0 349.390 3.606 20 0 EHADRM CC(=O)Nc1ccc(NC(=O)c2ccc(NC(=O)[O-])c(C)c2)cc1C ZINC000823612070 605591750 /nfs/dbraw/zinc/59/17/50/605591750.db2.gz XANKRBSMYBEZET-UHFFFAOYSA-N -1 0 341.367 3.604 20 0 EHADRM CC[C@H](C)[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000621553737 605605159 /nfs/dbraw/zinc/60/51/59/605605159.db2.gz IZSQNUWICCBAIN-VHSXEESVSA-N -1 0 347.333 3.947 20 0 EHADRM O=C([O-])N[C@@H](CC(=O)Nc1cc(F)ccc1Cl)c1ccccc1 ZINC000834128593 605605219 /nfs/dbraw/zinc/60/52/19/605605219.db2.gz MLEPULRHUCZEFF-ZDUSSCGKSA-N -1 0 336.750 3.817 20 0 EHADRM C[C@@H]1CC[C@H](C(F)(F)F)CN1c1nc(Cl)c(C(=O)[O-])s1 ZINC000833605316 605608987 /nfs/dbraw/zinc/60/89/87/605608987.db2.gz IYOATGYTZGILMT-RITPCOANSA-N -1 0 328.743 3.662 20 0 EHADRM CN(C(=O)C[C@H](NC(=O)[O-])c1ccccc1)c1ccc2ccccc2n1 ZINC000833869965 605615804 /nfs/dbraw/zinc/61/58/04/605615804.db2.gz VPFUBWAFBFHUPT-KRWDZBQOSA-N -1 0 349.390 3.597 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)C1(C)C ZINC000649253688 605622437 /nfs/dbraw/zinc/62/24/37/605622437.db2.gz OBAVJDXRMYCTRX-CVEARBPZSA-N -1 0 342.439 3.512 20 0 EHADRM Cn1c2ccc(NC3C[C@H]4CC[C@@H](C3)N4C(=O)[O-])cc2nc1C1CC1 ZINC000833941424 605642826 /nfs/dbraw/zinc/64/28/26/605642826.db2.gz LNZUIZDHEVLWMU-GOOCMWNKSA-N -1 0 340.427 3.536 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)c2cc(F)c(F)cc2F)c1 ZINC000834262750 605648652 /nfs/dbraw/zinc/64/86/52/605648652.db2.gz XWWCVLQQYVZOSK-UHFFFAOYSA-N -1 0 328.221 3.585 20 0 EHADRM Cc1cc(C(=O)NCc2cccc3cccnc32)ccc1NC(=O)[O-] ZINC000829957159 605655721 /nfs/dbraw/zinc/65/57/21/605655721.db2.gz YKQGVHCXHILNSK-UHFFFAOYSA-N -1 0 335.363 3.563 20 0 EHADRM Cc1ccc2c(c1C)OC[C@@H]2NC(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000829944806 605675358 /nfs/dbraw/zinc/67/53/58/605675358.db2.gz GDEMNZZVBAISRV-INIZCTEOSA-N -1 0 340.379 3.565 20 0 EHADRM Cc1cc(C(=O)NC2(c3nccs3)CCCC2)ccc1NC(=O)[O-] ZINC000829941111 605693947 /nfs/dbraw/zinc/69/39/47/605693947.db2.gz REDUHJJXVNDSEC-UHFFFAOYSA-N -1 0 345.424 3.741 20 0 EHADRM Cc1cc(C(=O)N2c3ccccc3OC[C@H]2C)ccc1NC(=O)[O-] ZINC000829933987 605704246 /nfs/dbraw/zinc/70/42/46/605704246.db2.gz CZBKJRUEHFIDIY-GFCCVEGCSA-N -1 0 326.352 3.513 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(-c3ccccc3)nn2)ccc1NC(=O)[O-] ZINC000829961162 605709691 /nfs/dbraw/zinc/70/96/91/605709691.db2.gz ACMDAFIUSJZDFR-UHFFFAOYSA-N -1 0 348.362 3.794 20 0 EHADRM Cc1cc(C(=O)N[C@@H]2COc3c2cccc3Cl)ccc1NC(=O)[O-] ZINC000829944757 605711873 /nfs/dbraw/zinc/71/18/73/605711873.db2.gz FEVFZNMLYOHLRL-CQSZACIVSA-N -1 0 346.770 3.602 20 0 EHADRM COCCC[C@@H](C)C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833724719 605714289 /nfs/dbraw/zinc/71/42/89/605714289.db2.gz JBNXOVXLICXCHE-RNCFNFMXSA-N -1 0 349.210 3.725 20 0 EHADRM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000833605917 605715786 /nfs/dbraw/zinc/71/57/86/605715786.db2.gz MRDQZYOEIGNWDU-IUCAKERBSA-N -1 0 348.296 3.719 20 0 EHADRM Cc1cc(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)ccc1NC(=O)[O-] ZINC000829940416 605716598 /nfs/dbraw/zinc/71/65/98/605716598.db2.gz MRUBPULAZCFTKM-OAHLLOKOSA-N -1 0 346.427 3.697 20 0 EHADRM O=C([O-])Nc1cccc(CN2CCO[C@H](c3ccc(F)c(F)c3)C2)c1 ZINC000834268235 605787241 /nfs/dbraw/zinc/78/72/41/605787241.db2.gz HGQMKMBEPAQHDB-KRWDZBQOSA-N -1 0 348.349 3.628 20 0 EHADRM COC(=O)c1ccc(F)c(CSCc2ccc(C(=O)[O-])s2)c1 ZINC000833716270 605789209 /nfs/dbraw/zinc/78/92/09/605789209.db2.gz YYTFGOHQLQMNDB-UHFFFAOYSA-N -1 0 340.397 3.805 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)c(F)c1 ZINC000833776722 605797961 /nfs/dbraw/zinc/79/79/61/605797961.db2.gz PEYGQUGQVQLSMH-UONOGXRCSA-N -1 0 348.757 3.815 20 0 EHADRM O=C([O-])c1ccc(F)c(COC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)c1 ZINC000833781062 605810103 /nfs/dbraw/zinc/81/01/03/605810103.db2.gz OSTCTBFSLOYXLI-LSDHHAIUSA-N -1 0 332.302 3.510 20 0 EHADRM O=C([O-])c1ccc(F)c(COC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)c1 ZINC000833781060 605810124 /nfs/dbraw/zinc/81/01/24/605810124.db2.gz OSTCTBFSLOYXLI-GJZGRUSLSA-N -1 0 332.302 3.510 20 0 EHADRM O=C([O-])c1ccc(F)c(COC(=O)c2ccc(-c3cnco3)cc2)c1 ZINC000833780765 605814715 /nfs/dbraw/zinc/81/47/15/605814715.db2.gz CZIUVXRSAZJUJP-UHFFFAOYSA-N -1 0 341.294 3.536 20 0 EHADRM C/C(=C/CN[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)C(=O)[O-] ZINC000833381859 605852625 /nfs/dbraw/zinc/85/26/25/605852625.db2.gz FANOETSNAGWBFG-BPOWMSRESA-N -1 0 339.260 3.512 20 0 EHADRM O=C([O-])N1CCC2(C[C@@H]2C(=O)Nc2cccc3ccsc32)CC1 ZINC000834056776 605855615 /nfs/dbraw/zinc/85/56/15/605855615.db2.gz VVDMDWCXRJOKSP-GFCCVEGCSA-N -1 0 330.409 3.620 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000825800270 605864428 /nfs/dbraw/zinc/86/44/28/605864428.db2.gz CPJCTJQCCODJAE-NVYCXNAJSA-N -1 0 348.487 3.630 20 0 EHADRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000825831183 605865249 /nfs/dbraw/zinc/86/52/49/605865249.db2.gz KINUAMWWTHBAAY-KSSFIOAISA-N -1 0 338.407 3.614 20 0 EHADRM O=C([O-])N1CCC2(CCN(C(=O)[C@@H]3CC[C@H]4CCCC[C@@H]4C3)C2)CC1 ZINC000834088344 605875415 /nfs/dbraw/zinc/87/54/15/605875415.db2.gz MVAIAMKCYSRZHX-BRWVUGGUSA-N -1 0 348.487 3.585 20 0 EHADRM Cc1cc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)ccc1NC(=O)[O-] ZINC000829939687 605876512 /nfs/dbraw/zinc/87/65/12/605876512.db2.gz GOYQMYQSVQKRER-VXGBXAGGSA-N -1 0 344.333 3.936 20 0 EHADRM O=C([O-])NCCCCC(=O)N(Cc1ccccc1)C1CCCCC1 ZINC000834234204 605922408 /nfs/dbraw/zinc/92/24/08/605922408.db2.gz KUBVHJXBWXEDSI-UHFFFAOYSA-N -1 0 332.444 3.786 20 0 EHADRM O=C([O-])NC1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1 ZINC000834184539 605979151 /nfs/dbraw/zinc/97/91/51/605979151.db2.gz IVWIIRWMZMSRDT-UHFFFAOYSA-N -1 0 339.395 3.677 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)c1ccc(N(C)C)c(F)c1 ZINC000833906738 606005669 /nfs/dbraw/zinc/00/56/69/606005669.db2.gz ZISZFQBQZYQKFN-UHFFFAOYSA-N -1 0 331.347 3.542 20 0 EHADRM O=C([O-])Nc1cccc(OC[C@@H](O)c2ccc(C(F)(F)F)cc2)c1 ZINC000834268707 606039856 /nfs/dbraw/zinc/03/98/56/606039856.db2.gz UZNDZEWVSVIULN-CQSZACIVSA-N -1 0 341.285 3.908 20 0 EHADRM Cc1nn(C)cc1-c1csc(Cc2ccc(NC(=O)[O-])cc2)n1 ZINC000833919433 606070861 /nfs/dbraw/zinc/07/08/61/606070861.db2.gz JYNIXKVZQAFUFD-UHFFFAOYSA-N -1 0 328.397 3.533 20 0 EHADRM O=C([O-])N[C@@H](Cc1nc(-c2c(Cl)cccc2Cl)no1)C1CC1 ZINC000834149637 606075135 /nfs/dbraw/zinc/07/51/35/606075135.db2.gz HIEVIIXWFIJCTH-JTQLQIEISA-N -1 0 342.182 3.632 20 0 EHADRM COCc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)cc1 ZINC000191490483 939038326 /nfs/dbraw/zinc/03/83/26/939038326.db2.gz FNDQWGGKPDNOQR-LJQANCHMSA-N -1 0 349.386 3.542 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)NC1(C(=O)[O-])CCC(C)CC1 ZINC000236679929 939044223 /nfs/dbraw/zinc/04/42/23/939044223.db2.gz XGBFLMZYCOPWPL-SHYRYGCCSA-N -1 0 335.419 3.544 20 0 EHADRM C[C@H](C(=O)NC1(C(=O)[O-])CCC(C)CC1)c1cc2ccccc2o1 ZINC000236806056 939045162 /nfs/dbraw/zinc/04/51/62/939045162.db2.gz SRJYVTSXVKWXOE-MLZJXEJWSA-N -1 0 329.396 3.686 20 0 EHADRM O=C([O-])C1(NC(=O)c2ccc(-c3ccccc3Cl)o2)CCCC1 ZINC000237978848 939052917 /nfs/dbraw/zinc/05/29/17/939052917.db2.gz FCLVNOUVYICQEH-UHFFFAOYSA-N -1 0 333.771 3.727 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl)c1ccccc1 ZINC000238006341 939054119 /nfs/dbraw/zinc/05/41/19/939054119.db2.gz UXPSNGODODBESG-MKBNYLNASA-N -1 0 347.773 3.525 20 0 EHADRM O=C([O-])C1(NC(=O)c2ccc(C(F)(F)F)cc2)CCCCCC1 ZINC000238093507 939056859 /nfs/dbraw/zinc/05/68/59/939056859.db2.gz DDYBUNGJJHJZET-UHFFFAOYSA-N -1 0 329.318 3.613 20 0 EHADRM CC[C@](NC(=O)c1cscc1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000262019465 939058375 /nfs/dbraw/zinc/05/83/75/939058375.db2.gz GAVIUUVKTYSKLY-MRXNPFEDSA-N -1 0 337.828 3.830 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)NC2(C(=O)[O-])CCSCC2)cc1 ZINC000262164706 939061435 /nfs/dbraw/zinc/06/14/35/939061435.db2.gz NFQXESRBDPOEPD-AWEZNQCLSA-N -1 0 349.496 3.770 20 0 EHADRM CCCc1sc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1CC ZINC000320734388 939124179 /nfs/dbraw/zinc/12/41/79/939124179.db2.gz XXNAYLJCWKNUOO-MRXNPFEDSA-N -1 0 331.437 3.819 20 0 EHADRM CCOc1ccc(NC(=O)N[C@H](C(=O)[O-])C2CCCCC2)c(C)c1 ZINC000780456435 939124185 /nfs/dbraw/zinc/12/41/85/939124185.db2.gz RMLURHISZVKDLA-INIZCTEOSA-N -1 0 334.416 3.549 20 0 EHADRM CCOc1cccc(NC(=O)NC2(C(=O)[O-])CCC(CC)CC2)c1 ZINC000324326089 939125718 /nfs/dbraw/zinc/12/57/18/939125718.db2.gz AGYKJBHUMUUBSZ-UHFFFAOYSA-N -1 0 334.416 3.630 20 0 EHADRM CCCCOc1ccc(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000327415423 939127734 /nfs/dbraw/zinc/12/77/34/939127734.db2.gz NGSHMTVAFONXKT-FQEVSTJZSA-N -1 0 341.407 3.595 20 0 EHADRM CCC1CCC(NC(=O)CCCc2ccc(OC)cc2)(C(=O)[O-])CC1 ZINC000345982001 939128406 /nfs/dbraw/zinc/12/84/06/939128406.db2.gz CNDVQJZMYXWCFC-UHFFFAOYSA-N -1 0 347.455 3.558 20 0 EHADRM CCOc1ccccc1[C@H](CC)NC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000780513182 939130017 /nfs/dbraw/zinc/13/00/17/939130017.db2.gz MRSYBZATEIXWBK-HNNXBMFYSA-N -1 0 348.443 3.623 20 0 EHADRM C[C@@](NC(=O)c1csc2ccccc12)(C(=O)[O-])c1ccccc1 ZINC000390869200 939135902 /nfs/dbraw/zinc/13/59/02/939135902.db2.gz OAPCFJQDGQJBBO-SFHVURJKSA-N -1 0 325.389 3.631 20 0 EHADRM CCCc1ccc(NC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000391995980 939136791 /nfs/dbraw/zinc/13/67/91/939136791.db2.gz JPLTZEVZBDSSCQ-LJQANCHMSA-N -1 0 326.396 3.761 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)c(C)c1 ZINC000788320802 939150330 /nfs/dbraw/zinc/15/03/30/939150330.db2.gz HFTJVAHFVADPIK-OAHLLOKOSA-N -1 0 334.322 3.529 20 0 EHADRM CCC(CC)n1nc(C(=O)NC2(C(=O)[O-])CCC(CC)CC2)cc1C ZINC000431783845 939156381 /nfs/dbraw/zinc/15/63/81/939156381.db2.gz JQRWFFWOKCYPMP-UHFFFAOYSA-N -1 0 349.475 3.706 20 0 EHADRM Cc1ccc([C@@H](NC(=O)NC[C@@H](C)c2ccccc2)C(=O)[O-])cc1C ZINC000797704541 939161101 /nfs/dbraw/zinc/16/11/01/939161101.db2.gz YCVGAQLWLKDYTB-CRAIPNDOSA-N -1 0 340.423 3.532 20 0 EHADRM O=C([O-])[C@@H](NC(=O)NC[C@@H]1CC=CCC1)c1cccc2ccccc21 ZINC000797711307 939170269 /nfs/dbraw/zinc/17/02/69/939170269.db2.gz JCJCPEBIQAERAN-KDOFPFPSSA-N -1 0 338.407 3.621 20 0 EHADRM CCc1cc(C(=O)N[C@](CC)(C(=O)[O-])c2ccccc2)oc1CC ZINC000439894598 939202924 /nfs/dbraw/zinc/20/29/24/939202924.db2.gz OIJAIENPWZCRLN-IBGZPJMESA-N -1 0 329.396 3.524 20 0 EHADRM CC[C@](NC(=O)[C@@H](C)Cc1ccc(C)cc1)(C(=O)[O-])c1ccccc1 ZINC000439900573 939203236 /nfs/dbraw/zinc/20/32/36/939203236.db2.gz XQGRRUSVGBHLOU-HRAATJIYSA-N -1 0 339.435 3.680 20 0 EHADRM CCCCC[C@H](C)CC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000829305110 939220611 /nfs/dbraw/zinc/22/06/11/939220611.db2.gz QYCXRZNATNKYDN-MEDUHNTESA-N -1 0 327.371 3.813 20 0 EHADRM CC[C@@](NC(=O)c1ccc(-c2ccccc2)[nH]1)(C(=O)[O-])c1ccccc1 ZINC000485360784 939225837 /nfs/dbraw/zinc/22/58/37/939225837.db2.gz RGRLVJTYDPUYET-NRFANRHFSA-N -1 0 348.402 3.802 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1cccc(N2CCCCC2)c1)C1CCCC1 ZINC000852951432 939240339 /nfs/dbraw/zinc/24/03/39/939240339.db2.gz PBVUGVBPPKYUER-QGZVFWFLSA-N -1 0 330.428 3.506 20 0 EHADRM Cc1cccc([C@@H](NC(=O)Nc2cccc(Cl)c2)C(=O)[O-])c1C ZINC000516640697 939245079 /nfs/dbraw/zinc/24/50/79/939245079.db2.gz NLOXFODZNRLFNU-OAHLLOKOSA-N -1 0 332.787 3.904 20 0 EHADRM CSc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(C)c(C)c2)c1 ZINC000520708761 939255119 /nfs/dbraw/zinc/25/51/19/939255119.db2.gz PBLOOVUEKTZBTF-INIZCTEOSA-N -1 0 344.436 3.973 20 0 EHADRM CSc1ccc(CCCC(=O)N[C@@H](C(=O)[O-])c2cccs2)cc1 ZINC000520588342 939255127 /nfs/dbraw/zinc/25/51/27/939255127.db2.gz MHEBEIQYEXCYCB-MRXNPFEDSA-N -1 0 349.477 3.735 20 0 EHADRM C[C@@](NC(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1)(C(=O)[O-])C1CC1 ZINC000887382965 939266653 /nfs/dbraw/zinc/26/66/53/939266653.db2.gz XSLVOSIAMCMYIY-RISCZKNCSA-N -1 0 348.296 3.634 20 0 EHADRM Cc1cc([C@H](NC(=O)Nc2cccc(Cl)c2)C(=O)[O-])ccc1F ZINC000555760403 939302257 /nfs/dbraw/zinc/30/22/57/939302257.db2.gz UHODDVINQHPGEO-AWEZNQCLSA-N -1 0 336.750 3.735 20 0 EHADRM Cc1sc(NC(=O)N[C@@H](C(=O)[O-])c2cccs2)nc1C(C)C ZINC000908664947 939304618 /nfs/dbraw/zinc/30/46/18/939304618.db2.gz HOWJJWAXYLBYAC-LLVKDONJSA-N -1 0 339.442 3.584 20 0 EHADRM CCCCc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(O)cc2)cc1 ZINC000559587250 939317797 /nfs/dbraw/zinc/31/77/97/939317797.db2.gz SBEMWQJTWCNNMG-QGZVFWFLSA-N -1 0 342.395 3.682 20 0 EHADRM CC[C@@](NC(=O)Cc1cccc(C(F)F)c1)(C(=O)[O-])c1ccccc1 ZINC000908942046 939359305 /nfs/dbraw/zinc/35/93/05/939359305.db2.gz CYIHKAGVOZZGFE-IBGZPJMESA-N -1 0 347.361 3.673 20 0 EHADRM CC[C@@](NC(=O)NCc1ccccc1Cl)(C(=O)[O-])c1ccccc1 ZINC000567301767 939360679 /nfs/dbraw/zinc/36/06/79/939360679.db2.gz DZSCUVOUSXZICG-SFHVURJKSA-N -1 0 346.814 3.529 20 0 EHADRM CSc1ccc([C@@H](C)NC(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC000568481038 939368190 /nfs/dbraw/zinc/36/81/90/939368190.db2.gz WBIBIAVYRLNCNB-GFCCVEGCSA-N -1 0 336.457 3.556 20 0 EHADRM CCc1cc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(OC)cc2)ccc1C ZINC000568713171 939369310 /nfs/dbraw/zinc/36/93/10/939369310.db2.gz HBGFIKAVIZRZMM-QGZVFWFLSA-N -1 0 342.395 3.513 20 0 EHADRM CC[C@H](CC(=O)N[C@H](C(=O)[O-])c1ccsc1)c1ccc(C)cc1 ZINC000570057889 939381066 /nfs/dbraw/zinc/38/10/66/939381066.db2.gz JZXLBCCPXZIFSS-DYVFJYSZSA-N -1 0 331.437 3.882 20 0 EHADRM Cc1ccc(CNC(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)cc1 ZINC000570505449 939383707 /nfs/dbraw/zinc/38/37/07/939383707.db2.gz HLZFVOLRUMKZSN-IBGZPJMESA-N -1 0 348.402 3.773 20 0 EHADRM O=C([O-])[C@H](NC(=O)NCc1ccc2ccccc2c1)c1ccsc1 ZINC000572580755 939400809 /nfs/dbraw/zinc/40/08/09/939400809.db2.gz CPBOSPVBYUAUMK-MRXNPFEDSA-N -1 0 340.404 3.526 20 0 EHADRM O=C([O-])[C@H](NC(=O)CC[C@@H]1CCc2ccccc21)c1cccs1 ZINC000909638865 939724671 /nfs/dbraw/zinc/72/46/71/939724671.db2.gz SFDQVXXSGGUBEZ-SUMWQHHRSA-N -1 0 329.421 3.500 20 0 EHADRM Cc1ccc([C@@H](NC(=O)CC(C)(C)CC(F)F)C(=O)[O-])cc1C ZINC000909693726 939725824 /nfs/dbraw/zinc/72/58/24/939725824.db2.gz JJPSCPXCOWROLE-OAHLLOKOSA-N -1 0 327.371 3.617 20 0 EHADRM C[C@](NC(=O)C1=CCCC1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000909756730 939727353 /nfs/dbraw/zinc/72/73/53/939727353.db2.gz PKEADKSAIKEZRO-OAHLLOKOSA-N -1 0 328.195 3.520 20 0 EHADRM Cc1cccc([C@@H](NC(=O)Nc2ccccc2Cl)C(=O)[O-])c1C ZINC000576297431 939738306 /nfs/dbraw/zinc/73/83/06/939738306.db2.gz ZPTCVDHUAHLTCS-OAHLLOKOSA-N -1 0 332.787 3.904 20 0 EHADRM O=C(C=C1CCSCC1)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC000910938096 939761660 /nfs/dbraw/zinc/76/16/60/939761660.db2.gz VUFVHMNVFCYDEZ-GOSISDBHSA-N -1 0 341.432 3.535 20 0 EHADRM CN(CC(C)(C)C)C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000579811480 939765753 /nfs/dbraw/zinc/76/57/53/939765753.db2.gz YQIAKDPIRLWJRZ-MRXNPFEDSA-N -1 0 328.412 3.653 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)N[C@H](C(=O)[O-])c2ccc(F)c(C)c2)cc1 ZINC000581921060 939780940 /nfs/dbraw/zinc/78/09/40/939780940.db2.gz KGPKEEIIFKOVMX-GUYCJALGSA-N -1 0 344.386 3.629 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)N[C@H](C(=O)[O-])c2ccc(F)c(C)c2)cc1 ZINC000581921059 939781158 /nfs/dbraw/zinc/78/11/58/939781158.db2.gz KGPKEEIIFKOVMX-DYVFJYSZSA-N -1 0 344.386 3.629 20 0 EHADRM CC[C@@H](NC(=O)N[C@H](C(=O)[O-])c1ccccc1)c1ccc(C)cc1 ZINC000583518757 939791380 /nfs/dbraw/zinc/79/13/80/939791380.db2.gz UYPNQTWKZOJNGL-SJORKVTESA-N -1 0 326.396 3.571 20 0 EHADRM CC(C)Oc1ccc([C@H](C)NC(=O)[C@H](C(=O)[O-])C2CCCC2)cc1 ZINC000663065916 939852088 /nfs/dbraw/zinc/85/20/88/939852088.db2.gz GCSRAPIBYMGKEQ-SUMWQHHRSA-N -1 0 333.428 3.542 20 0 EHADRM Cc1cc(C)c(-c2csc(NC(=O)[C@@H](C(=O)[O-])C3CC3)n2)c(C)c1 ZINC000663080576 939853092 /nfs/dbraw/zinc/85/30/92/939853092.db2.gz QGYKINLKARGNCJ-HNNXBMFYSA-N -1 0 344.436 3.785 20 0 EHADRM Cc1cc(C)c(-c2csc(NC(=O)[C@H](C(=O)[O-])C3CC3)n2)c(C)c1 ZINC000663080584 939853163 /nfs/dbraw/zinc/85/31/63/939853163.db2.gz QGYKINLKARGNCJ-OAHLLOKOSA-N -1 0 344.436 3.785 20 0 EHADRM C[C@](NC(=O)c1cc2cc(Cl)ccc2o1)(C(=O)[O-])c1ccccc1 ZINC000675979689 939864298 /nfs/dbraw/zinc/86/42/98/939864298.db2.gz PUVPQVJCGZWTQQ-GOSISDBHSA-N -1 0 343.766 3.816 20 0 EHADRM C[C@H]1CCc2sc(C(=O)N[C@@H](C(=O)[O-])c3ccccc3F)cc2C1 ZINC000678987275 939869253 /nfs/dbraw/zinc/86/92/53/939869253.db2.gz QJQKUZKQKIXPPV-MGPLVRAMSA-N -1 0 347.411 3.568 20 0 EHADRM Cc1ccc(F)c(NC(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)c1 ZINC000683920504 939871206 /nfs/dbraw/zinc/87/12/06/939871206.db2.gz CPHIQWFJDOSXRK-INIZCTEOSA-N -1 0 330.359 3.698 20 0 EHADRM C[C@@H](NC(=O)N[C@@H](C(=O)[O-])c1cccs1)c1cc2ccccc2o1 ZINC000684712532 939871433 /nfs/dbraw/zinc/87/14/33/939871433.db2.gz BHSLPTPVNYASKI-MEBBXXQBSA-N -1 0 344.392 3.680 20 0 EHADRM CN(Cc1ccc(Cl)cc1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000321413852 970769535 /nfs/dbraw/zinc/76/95/35/970769535.db2.gz BQRORWXUYGUYPG-UHFFFAOYSA-N -1 0 332.787 3.631 20 0 EHADRM Cc1cccc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)c1Cl ZINC000321469045 970774137 /nfs/dbraw/zinc/77/41/37/970774137.db2.gz AAFCKCCANLHPGC-CYBMUJFWSA-N -1 0 329.783 3.867 20 0 EHADRM Cc1ccc(C(C)C)c(OCCC(=O)NC(C)(C)CCC(=O)[O-])c1 ZINC001600367334 970801842 /nfs/dbraw/zinc/80/18/42/970801842.db2.gz VEFRRMJWPIMLDG-UHFFFAOYSA-N -1 0 335.444 3.647 20 0 EHADRM Cc1ccc([C@H](NC(=O)c2cccc(C(=O)[O-])c2)c2ccccn2)cc1 ZINC001600385729 970801906 /nfs/dbraw/zinc/80/19/06/970801906.db2.gz XUJLVHGVJMOGLU-IBGZPJMESA-N -1 0 346.386 3.608 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cc3c(cccc3F)s2)CCCCC1 ZINC000321818150 970811791 /nfs/dbraw/zinc/81/17/91/970811791.db2.gz CXMBJVKGLTTYSC-UHFFFAOYSA-N -1 0 335.400 3.948 20 0 EHADRM Cc1ccc(CCC(=O)NC2(CC(=O)[O-])CCCCC2)cc1Cl ZINC000321851018 970815637 /nfs/dbraw/zinc/81/56/37/970815637.db2.gz KXWUIGJNQKLMOK-UHFFFAOYSA-N -1 0 337.847 3.875 20 0 EHADRM C[C@H]1CCC[C@@H](NC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CC1 ZINC000321932922 970827100 /nfs/dbraw/zinc/82/71/00/970827100.db2.gz BBXOJBGSMVNQTM-VHSXEESVSA-N -1 0 326.343 3.753 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000321934750 970827345 /nfs/dbraw/zinc/82/73/45/970827345.db2.gz VXRWQRHWAHKOQF-GFCCVEGCSA-N -1 0 329.783 3.867 20 0 EHADRM C[C@H](NC(=O)CC1(CC(=O)[O-])CCCC1)c1c(F)cccc1F ZINC000322006656 970836787 /nfs/dbraw/zinc/83/67/87/970836787.db2.gz RNUSFEQLKQFRQZ-NSHDSACASA-N -1 0 325.355 3.567 20 0 EHADRM COc1ccc(Cl)c(NC(=O)NCC2(C(=O)[O-])CCCCC2)c1 ZINC000322054896 970842479 /nfs/dbraw/zinc/84/24/79/970842479.db2.gz KYXFFWKZLQHUCC-UHFFFAOYSA-N -1 0 340.807 3.505 20 0 EHADRM COc1ccc(C)cc1NC(=O)[C@H](SCC(=O)[O-])c1ccccc1 ZINC001611043339 970863757 /nfs/dbraw/zinc/86/37/57/970863757.db2.gz FNBVZECHPPXLIH-QGZVFWFLSA-N -1 0 345.420 3.501 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000322400874 970883010 /nfs/dbraw/zinc/88/30/10/970883010.db2.gz UYPRGCZFBABNGU-CABCVRRESA-N -1 0 330.771 3.716 20 0 EHADRM C[C@H](Cc1ccsc1)NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000322733932 970924765 /nfs/dbraw/zinc/92/47/65/970924765.db2.gz VCZPNJVGPHLORA-GFCCVEGCSA-N -1 0 332.425 3.518 20 0 EHADRM CCN(Cc1cccs1)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC000323200643 970975471 /nfs/dbraw/zinc/97/54/71/970975471.db2.gz KKRHHTQYXNIVSF-UHFFFAOYSA-N -1 0 334.397 3.509 20 0 EHADRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1Cc2ccccc21 ZINC000323201097 970976390 /nfs/dbraw/zinc/97/63/90/970976390.db2.gz KNJAIKMGWMUJSH-JTQLQIEISA-N -1 0 332.743 3.698 20 0 EHADRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NCc1cc(F)ccc1F ZINC000323409224 971002273 /nfs/dbraw/zinc/00/22/73/971002273.db2.gz MAYWHWMZDMKWBT-UHFFFAOYSA-N -1 0 342.685 3.837 20 0 EHADRM O=C([O-])c1cncc(NC(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)c1 ZINC001601628462 971034199 /nfs/dbraw/zinc/03/41/99/971034199.db2.gz MFYXPLAJQWJFKU-ZBFHGGJFSA-N -1 0 339.395 3.628 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)c2coc(-c3ccccc3)n2)c2ccccc21 ZINC001601829240 971060788 /nfs/dbraw/zinc/06/07/88/971060788.db2.gz QDKCFJKPPAYSJR-HNNXBMFYSA-N -1 0 348.358 3.560 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](c2nc(Cc3cccc(Cl)c3F)no2)C1 ZINC000323982586 971069823 /nfs/dbraw/zinc/06/98/23/971069823.db2.gz YRWUYSUVKRMPCK-WDEREUQCSA-N -1 0 338.766 3.811 20 0 EHADRM Cc1cccc(O[C@@H](C)C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)c1 ZINC000323999304 971072345 /nfs/dbraw/zinc/07/23/45/971072345.db2.gz FGKCKTBFANQIDZ-NSHDSACASA-N -1 0 345.420 3.649 20 0 EHADRM CC(C)COc1ccc(C(=O)Nc2ccc(F)cc2C(=O)[O-])cc1 ZINC000324061542 971080038 /nfs/dbraw/zinc/08/00/38/971080038.db2.gz WQKCFJGQTXQZAT-UHFFFAOYSA-N -1 0 331.343 3.811 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)NCc2ccc(C(F)F)cc2)c1 ZINC001611506540 971087026 /nfs/dbraw/zinc/08/70/26/971087026.db2.gz LOXWTBDBWMIWPJ-UHFFFAOYSA-N -1 0 334.322 3.573 20 0 EHADRM Cc1cccc(OCCCC(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC000324146352 971089155 /nfs/dbraw/zinc/08/91/55/971089155.db2.gz AIQSFHVXNPPGGF-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccc(F)c(C(=O)[O-])c2)o1 ZINC000324156350 971090548 /nfs/dbraw/zinc/09/05/48/971090548.db2.gz CFNYZSJIKVKYGD-MFKMUULPSA-N -1 0 331.343 3.812 20 0 EHADRM CCC1(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CCCC1 ZINC000324424203 971118453 /nfs/dbraw/zinc/11/84/53/971118453.db2.gz SNYKWAVBCRMKFT-UHFFFAOYSA-N -1 0 326.343 3.755 20 0 EHADRM CC(C)Oc1ccc([C@H](C)NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000324389158 971115794 /nfs/dbraw/zinc/11/57/94/971115794.db2.gz PNUBLJJPFGFYOG-ZDUSSCGKSA-N -1 0 327.380 3.663 20 0 EHADRM Cc1cc(Cl)cc(C(=O)N2C[C@H](C(=O)[O-])Cc3ccccc32)c1 ZINC000324498041 971125544 /nfs/dbraw/zinc/12/55/44/971125544.db2.gz KLCBMCVQBPXNIB-CQSZACIVSA-N -1 0 329.783 3.552 20 0 EHADRM O=C([O-])CCc1cccc(NCc2cn3cc(Cl)ccc3n2)c1 ZINC001602044266 971129834 /nfs/dbraw/zinc/12/98/34/971129834.db2.gz UUEVWKQBXRYEHW-UHFFFAOYSA-N -1 0 329.787 3.617 20 0 EHADRM COc1ccc(C(=O)[O-])c(OCc2ncc(-c3ccccc3)o2)c1 ZINC000324671780 971145591 /nfs/dbraw/zinc/14/55/91/971145591.db2.gz HAJFHRWHIBPKSG-UHFFFAOYSA-N -1 0 325.320 3.627 20 0 EHADRM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C(=O)[O-])c2C)c1 ZINC000324773874 971155934 /nfs/dbraw/zinc/15/59/34/971155934.db2.gz FMDAEFXGZJRBBE-UHFFFAOYSA-N -1 0 346.364 3.576 20 0 EHADRM Cc1ccc(NC(=O)CCCOc2ccc(F)cc2)cc1C(=O)[O-] ZINC000324799015 971158149 /nfs/dbraw/zinc/15/81/49/971158149.db2.gz MLSCNHJCDJJCDP-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(OCC(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000324892085 971166698 /nfs/dbraw/zinc/16/66/98/971166698.db2.gz GIQXAJWVEAUGFC-LLVKDONJSA-N -1 0 348.786 3.686 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)Nc2cc(C(F)(F)F)ccc2F)C1 ZINC000324950995 971172084 /nfs/dbraw/zinc/17/20/84/971172084.db2.gz GWSKDCQLDYPKLP-AWEZNQCLSA-N -1 0 348.296 3.563 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000325070421 971182258 /nfs/dbraw/zinc/18/22/58/971182258.db2.gz CAXFMGSTYCBXSW-LLVKDONJSA-N -1 0 343.408 3.502 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)Nc1ccc(F)c(Cl)c1)CC2 ZINC000325252728 971198213 /nfs/dbraw/zinc/19/82/13/971198213.db2.gz LHJWTLRAPBXSRZ-UHFFFAOYSA-N -1 0 348.761 3.768 20 0 EHADRM Cc1c(Cl)cccc1NC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000325274371 971200914 /nfs/dbraw/zinc/20/09/14/971200914.db2.gz RDXAIRREABLBHH-UHFFFAOYSA-N -1 0 344.798 3.937 20 0 EHADRM CC(C)c1ccccc1NC(=O)NCc1ccccc1CC(=O)[O-] ZINC000325323193 971204833 /nfs/dbraw/zinc/20/48/33/971204833.db2.gz WQMAMNBHDNMBCH-UHFFFAOYSA-N -1 0 326.396 3.759 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)Nc2cccc(CCC(=O)[O-])c2)c(C)o1 ZINC000325363598 971208295 /nfs/dbraw/zinc/20/82/95/971208295.db2.gz ADAHESCRYGKJKF-GFCCVEGCSA-N -1 0 330.384 3.796 20 0 EHADRM COc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c(C(=O)[O-])c1 ZINC000325402063 971212229 /nfs/dbraw/zinc/21/22/29/971212229.db2.gz GYJJNTFGYCLSTA-UHFFFAOYSA-N -1 0 329.396 3.548 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)c2ccccc21 ZINC000325663661 971234115 /nfs/dbraw/zinc/23/41/15/971234115.db2.gz CFCCARIYRGWESV-JHJVBQTASA-N -1 0 341.329 3.570 20 0 EHADRM CC(C)(NC(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccccc1 ZINC000326454393 971295050 /nfs/dbraw/zinc/29/50/50/971295050.db2.gz ZSEUSDXZRMVVKQ-UHFFFAOYSA-N -1 0 326.396 3.761 20 0 EHADRM CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C(=O)[O-])c1 ZINC000326564873 971303665 /nfs/dbraw/zinc/30/36/65/971303665.db2.gz DXJGMWGLAZESLO-UHFFFAOYSA-N -1 0 348.742 3.761 20 0 EHADRM COc1cc(NC(=O)[C@H]2CCCCC2(C)C)c(C(=O)[O-])cc1OC ZINC000326839217 971333962 /nfs/dbraw/zinc/33/39/62/971333962.db2.gz OCUGNCMDMKDDLA-GFCCVEGCSA-N -1 0 335.400 3.557 20 0 EHADRM CCc1ccc(NC(=O)CCCOc2ccccc2)c(C(=O)[O-])c1 ZINC000326769099 971325781 /nfs/dbraw/zinc/32/57/81/971325781.db2.gz QEGUGPXNMFRGHC-UHFFFAOYSA-N -1 0 327.380 3.745 20 0 EHADRM COc1cc(NC(=O)c2cc3c(cccc3F)s2)ccc1C(=O)[O-] ZINC000326867168 971338157 /nfs/dbraw/zinc/33/81/57/971338157.db2.gz YEKZIEOWHXBOKQ-UHFFFAOYSA-N -1 0 345.351 4.000 20 0 EHADRM CCCOc1ccc(NC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000326912372 971344512 /nfs/dbraw/zinc/34/45/12/971344512.db2.gz NCBBOHZNQSLYET-AWEZNQCLSA-N -1 0 348.443 3.830 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC000327059347 971360687 /nfs/dbraw/zinc/36/06/87/971360687.db2.gz OKWLTNZHGLICQV-UHFFFAOYSA-N -1 0 339.322 3.781 20 0 EHADRM Cc1ccc(O[C@@H](C)C(=O)N(CCC(=O)[O-])c2ccccc2C)cc1 ZINC000327339519 971390131 /nfs/dbraw/zinc/39/01/31/971390131.db2.gz BBTJAAWEUXPVPO-INIZCTEOSA-N -1 0 341.407 3.579 20 0 EHADRM CCc1ccc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c(C(=O)[O-])c1 ZINC000327699202 971419408 /nfs/dbraw/zinc/41/94/08/971419408.db2.gz MXGZPXRVSMNWCQ-LLVKDONJSA-N -1 0 342.351 3.598 20 0 EHADRM CCc1cc(NC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)ccc1C ZINC000327702108 971420933 /nfs/dbraw/zinc/42/09/33/971420933.db2.gz XKHBIFDYIVKGOI-SFHVURJKSA-N -1 0 338.407 3.773 20 0 EHADRM CCCCc1ccc(C(=O)N2C[C@@H](C(=O)[O-])Cc3ccccc32)cc1 ZINC000327773633 971424672 /nfs/dbraw/zinc/42/46/72/971424672.db2.gz USRCTXUUAIOSGQ-SFHVURJKSA-N -1 0 337.419 3.933 20 0 EHADRM O=C([O-])c1ccccc1OCCOc1ccccc1Br ZINC000011863706 948772713 /nfs/dbraw/zinc/77/27/13/948772713.db2.gz BHMALSAZTFAAHP-UHFFFAOYSA-N -1 0 337.169 3.605 20 0 EHADRM C[C@@H](NC(=O)N(C)CCCC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000037330384 948826126 /nfs/dbraw/zinc/82/61/26/948826126.db2.gz DUCPBAYNMCWKOZ-SECBINFHSA-N -1 0 333.215 3.561 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCCCC(=O)[O-] ZINC000037406778 948827668 /nfs/dbraw/zinc/82/76/68/948827668.db2.gz QBPMCDVMFWZZIX-LLVKDONJSA-N -1 0 329.849 3.582 20 0 EHADRM CCC(F)(F)c1ccccc1NC(=O)NC1(C(=O)[O-])CCCC1 ZINC001589562305 948829905 /nfs/dbraw/zinc/82/99/05/948829905.db2.gz TWHLTJJOFGIOIJ-UHFFFAOYSA-N -1 0 326.343 3.707 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)Cc2csc3ccccc23)c1 ZINC000345884832 971519815 /nfs/dbraw/zinc/51/98/15/971519815.db2.gz JKHXECFFGRRLBA-UHFFFAOYSA-N -1 0 341.388 3.546 20 0 EHADRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)c1ccc2c(c1)CCC2 ZINC000346024108 971521029 /nfs/dbraw/zinc/52/10/29/971521029.db2.gz ISSBKRDBNCKYLG-UHFFFAOYSA-N -1 0 343.810 3.556 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000347390268 971525057 /nfs/dbraw/zinc/52/50/57/971525057.db2.gz QJFSAHHTJKLEPT-UHFFFAOYSA-N -1 0 349.386 3.749 20 0 EHADRM CC[C@@H](SC)C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001589585164 949039333 /nfs/dbraw/zinc/03/93/33/949039333.db2.gz NGOVEUPKTFABQK-PSASIEDQSA-N -1 0 327.471 3.651 20 0 EHADRM CC[C@](C)(NC(=O)c1ccc(-c2nc3ccccc3s2)o1)C(=O)[O-] ZINC000362340001 971534845 /nfs/dbraw/zinc/53/48/45/971534845.db2.gz PFFXSXXNMXDLCO-KRWDZBQOSA-N -1 0 344.392 3.539 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)CC1 ZINC000369707014 971553070 /nfs/dbraw/zinc/55/30/70/971553070.db2.gz OYHBQJWKXNETOF-WKILWMFISA-N -1 0 347.842 3.847 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)CC/C=C/c2ccccc2)Cc2ccccc21 ZINC000375038541 971561578 /nfs/dbraw/zinc/56/15/78/971561578.db2.gz LHFCTOXKGRQFIV-KBMDHIKASA-N -1 0 335.403 3.691 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc3c(cc(C)cc3C)[nH]2)C1 ZINC001589603490 949208765 /nfs/dbraw/zinc/20/87/65/949208765.db2.gz OKOQCIOPPCLAIV-LJQANCHMSA-N -1 0 328.412 3.502 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(-c3ccco3)s2)C1 ZINC001589604502 949227927 /nfs/dbraw/zinc/22/79/27/949227927.db2.gz VNNBMPZBDVLDOP-KRWDZBQOSA-N -1 0 333.409 3.725 20 0 EHADRM O=C([O-])c1ccc(CNCc2cc(-c3ccc(F)cc3F)on2)cc1 ZINC001595230416 949337433 /nfs/dbraw/zinc/33/74/33/949337433.db2.gz HEGPLFASSDYOHB-UHFFFAOYSA-N -1 0 344.317 3.608 20 0 EHADRM CCC1CCC(N(C)C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)CC1 ZINC001589617918 949376979 /nfs/dbraw/zinc/37/69/79/949376979.db2.gz LEQFXBLSWRTMIG-LAGYLCCXSA-N -1 0 346.471 3.639 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cccc(Br)c2)cc1 ZINC001595233814 949377511 /nfs/dbraw/zinc/37/75/11/949377511.db2.gz RWOQEEITWKDAJV-UHFFFAOYSA-N -1 0 335.153 3.504 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2nc3ccccc3nc2C2CC2)cc1 ZINC001595233837 949379755 /nfs/dbraw/zinc/37/97/55/949379755.db2.gz SZLVNIKFTYTCKK-UHFFFAOYSA-N -1 0 348.358 3.562 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2[C@@H]3c4ccc(Cl)cc4C[C@H]23)c(F)c1 ZINC001595236112 949405476 /nfs/dbraw/zinc/40/54/76/949405476.db2.gz NUCJQTILCBYPTO-APHBMKBZSA-N -1 0 345.757 3.702 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)c1 ZINC001595241922 949469513 /nfs/dbraw/zinc/46/95/13/949469513.db2.gz PIRBMHIWEYAAAE-UHFFFAOYSA-N -1 0 349.390 3.713 20 0 EHADRM O=C([O-])CCCNC(=O)CCCc1ccc2c(c1)-c1ccccc1C2 ZINC000178239111 949488488 /nfs/dbraw/zinc/48/84/88/949488488.db2.gz AMVNNVAYKFZNHZ-UHFFFAOYSA-N -1 0 337.419 3.562 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CSc2cccc3cccc(Cl)c32)C1 ZINC000178266754 949489650 /nfs/dbraw/zinc/48/96/50/949489650.db2.gz YKEONQPKBHBBMK-GFCCVEGCSA-N -1 0 349.839 3.518 20 0 EHADRM O=C([O-])CCCCC(=O)NCC(c1ccccc1)c1ccccc1 ZINC000216189148 949546147 /nfs/dbraw/zinc/54/61/47/949546147.db2.gz ALZFISJQTXGWNM-UHFFFAOYSA-N -1 0 325.408 3.580 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N2CCc3cccc(Cl)c3C2)c1 ZINC001595250107 949549567 /nfs/dbraw/zinc/54/95/67/949549567.db2.gz ZMDSJXOZJSIOMI-UHFFFAOYSA-N -1 0 330.771 3.628 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)C2Cc3ccccc3C2)CC1 ZINC001595251960 949564050 /nfs/dbraw/zinc/56/40/50/949564050.db2.gz VQQIJWVZEUYFKU-UHFFFAOYSA-N -1 0 349.430 3.506 20 0 EHADRM CCCCCC[C@@H](CC)C(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001589645147 949719806 /nfs/dbraw/zinc/71/98/06/949719806.db2.gz RMWLOCDZTPZLAT-XZZQLLPFSA-N -1 0 339.476 3.512 20 0 EHADRM CCCCCC[C@@H](CC)C(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001589645144 949720123 /nfs/dbraw/zinc/72/01/23/949720123.db2.gz RMWLOCDZTPZLAT-HITAIPBASA-N -1 0 339.476 3.512 20 0 EHADRM CCCCOc1ccccc1NC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC001589654775 949811064 /nfs/dbraw/zinc/81/10/64/949811064.db2.gz RSLAXIJWECRUKO-AWEZNQCLSA-N -1 0 336.432 3.734 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000237520363 949966080 /nfs/dbraw/zinc/96/60/80/949966080.db2.gz UCUUJLJAFPEKJO-HOCLYGCPSA-N -1 0 335.469 3.554 20 0 EHADRM C[C@H]1CCc2sc(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)cc2C1 ZINC000237716927 949974812 /nfs/dbraw/zinc/97/48/12/949974812.db2.gz XYYSCVJSMXYYQG-QWHCGFSZSA-N -1 0 335.469 3.590 20 0 EHADRM Cc1cc(C)c(C)c(OCCC(=O)N2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000237806686 949978549 /nfs/dbraw/zinc/97/85/49/949978549.db2.gz WJOLJUCPJZTSDA-KRWDZBQOSA-N -1 0 347.455 3.627 20 0 EHADRM CCCOc1cc(C)ccc1CNC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001589680148 950038136 /nfs/dbraw/zinc/03/81/36/950038136.db2.gz OICNYGMXKQQFRB-UHFFFAOYSA-N -1 0 341.407 3.720 20 0 EHADRM COc1cc2c(cc1NC(=O)[C@H]1CC[C@H]1C(=O)[O-])oc1ccccc12 ZINC000262258880 950097683 /nfs/dbraw/zinc/09/76/83/950097683.db2.gz XJKGKBRNHSAURL-NWDGAFQWSA-N -1 0 339.347 3.644 20 0 EHADRM CCCc1ccccc1NC(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001589691768 950124443 /nfs/dbraw/zinc/12/44/43/950124443.db2.gz XOUBGMLYAHCTNO-INIZCTEOSA-N -1 0 330.359 3.726 20 0 EHADRM CC[C@@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccc(C)cc1 ZINC000262957384 950199154 /nfs/dbraw/zinc/19/91/54/950199154.db2.gz ISEXDXUGPWYKNP-QGZVFWFLSA-N -1 0 326.396 3.644 20 0 EHADRM Cc1cc(NC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)ccc1C(F)(F)F ZINC000263040428 950226768 /nfs/dbraw/zinc/22/67/68/950226768.db2.gz CFUSDKPHVOCJMY-ONGXEEELSA-N -1 0 344.333 3.588 20 0 EHADRM CCN(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](C)C(=O)[O-] ZINC001589703051 950245056 /nfs/dbraw/zinc/24/50/56/950245056.db2.gz KULGUFFPOMVUIK-ZETCQYMHSA-N -1 0 338.713 3.686 20 0 EHADRM CCN(C(=O)c1ccc(-c2ccc(F)cc2)cc1F)[C@@H](C)C(=O)[O-] ZINC001589705189 950272963 /nfs/dbraw/zinc/27/29/63/950272963.db2.gz FHWVVCXBMQBJEZ-NSHDSACASA-N -1 0 333.334 3.567 20 0 EHADRM CCN(C(=O)c1cc(F)c(Oc2ccccc2)c(F)c1)[C@@H](C)C(=O)[O-] ZINC001589706394 950293754 /nfs/dbraw/zinc/29/37/54/950293754.db2.gz STWIGNDFYNSQEK-NSHDSACASA-N -1 0 349.333 3.692 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC000263168679 950306955 /nfs/dbraw/zinc/30/69/55/950306955.db2.gz PSHQFCKOKKPJGO-DZGCQCFKSA-N -1 0 335.444 3.585 20 0 EHADRM CC(C)(C(=O)NCCCCCC(=O)[O-])c1ccc(Cl)cc1F ZINC000263193883 950318938 /nfs/dbraw/zinc/31/89/38/950318938.db2.gz TYHSKADVBPYWLY-UHFFFAOYSA-N -1 0 329.799 3.518 20 0 EHADRM CCN(C(=O)c1ccc(OCC2CCCCC2)cc1)[C@H](C)C(=O)[O-] ZINC001589711293 950331947 /nfs/dbraw/zinc/33/19/47/950331947.db2.gz QLFFDCMTTZJEPQ-CQSZACIVSA-N -1 0 333.428 3.581 20 0 EHADRM O=C([O-])c1cc(NC(=O)C(C2CC2)C2CC2)ccc1Br ZINC000380386165 971693825 /nfs/dbraw/zinc/69/38/25/971693825.db2.gz VLDHDWCDZWOSJE-UHFFFAOYSA-N -1 0 338.201 3.522 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)Nc2cccc(OC(F)(F)F)c2)co1 ZINC001594972431 950871776 /nfs/dbraw/zinc/87/17/76/950871776.db2.gz VFVWPYWIRHDOHX-SNAWJCMRSA-N -1 0 341.241 3.528 20 0 EHADRM O=C([O-])CC1(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)CCC1 ZINC001594973354 950889812 /nfs/dbraw/zinc/88/98/12/950889812.db2.gz ZALSWLSWCGZBCI-BJWYYQGGSA-N -1 0 327.424 3.569 20 0 EHADRM O=C([O-])c1ccccc1OCc1nnc(-c2ccccc2Cl)o1 ZINC000319561539 950961927 /nfs/dbraw/zinc/96/19/27/950961927.db2.gz KXVWEODSWONSNM-UHFFFAOYSA-N -1 0 330.727 3.667 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2ccc(Cl)cc2-n2cccc2)CCC1 ZINC001594979575 950974934 /nfs/dbraw/zinc/97/49/34/950974934.db2.gz IRYKGPVPHKORGI-UHFFFAOYSA-N -1 0 347.802 3.650 20 0 EHADRM Cc1cc([C@H](C)NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c(C)s1 ZINC000320513517 950993296 /nfs/dbraw/zinc/99/32/96/950993296.db2.gz LAUSAHSJAQTZAK-JSGCOSHPSA-N -1 0 338.473 3.712 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1C(F)(F)F ZINC000321378734 951013853 /nfs/dbraw/zinc/01/38/53/951013853.db2.gz WMWGTNQBKIPBAI-LBPRGKRZSA-N -1 0 332.322 3.635 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)NCC1(C(=O)[O-])CCC1)c1ccccc1 ZINC001602859962 971713401 /nfs/dbraw/zinc/71/34/01/971713401.db2.gz SPWKORAKGVVXQA-OAHLLOKOSA-N -1 0 332.444 3.718 20 0 EHADRM Cc1ccc(SCC(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000325416478 951084696 /nfs/dbraw/zinc/08/46/96/951084696.db2.gz VNCJEVYYTMNYIY-MRXNPFEDSA-N -1 0 341.432 3.692 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CCC(=O)NC2(CC(=O)[O-])CCCCC2)o1 ZINC000325553690 951087336 /nfs/dbraw/zinc/08/73/36/951087336.db2.gz LVRUOHWRHXNNCD-DZGCQCFKSA-N -1 0 333.428 3.629 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000325802470 951091928 /nfs/dbraw/zinc/09/19/28/951091928.db2.gz OHLSVLVZXCEZOY-UHFFFAOYSA-N -1 0 341.260 3.724 20 0 EHADRM C[C@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)[C@@H]1CC2CCC1CC2 ZINC000381870559 951214868 /nfs/dbraw/zinc/21/48/68/951214868.db2.gz JLBLUOPJCJVQQA-JDDSVCBVSA-N -1 0 330.428 3.650 20 0 EHADRM C[C@H](NC(=O)N1CCCC[C@@H]1CCC(=O)[O-])[C@H]1CC2CCC1CC2 ZINC000382174260 951218109 /nfs/dbraw/zinc/21/81/09/951218109.db2.gz QBZRQVUBWGGBPU-LMCYLSQRSA-N -1 0 336.476 3.630 20 0 EHADRM CCOc1ccc(C[C@H](C)C(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC001592447116 951334146 /nfs/dbraw/zinc/33/41/46/951334146.db2.gz FBBKPGZGNZEOJH-AWEZNQCLSA-N -1 0 341.407 3.530 20 0 EHADRM O=C([O-])CCCC(=O)N1CCc2cc(-c3cccc(F)c3)ccc21 ZINC001595025800 951351101 /nfs/dbraw/zinc/35/11/01/951351101.db2.gz NBBXYMQENLTRIV-UHFFFAOYSA-N -1 0 327.355 3.637 20 0 EHADRM CC(C)(CCNC(=O)c1ccccc1SC(F)(F)F)C(=O)[O-] ZINC000389781957 951358193 /nfs/dbraw/zinc/35/81/93/951358193.db2.gz FFCIXCLEBQPGFB-UHFFFAOYSA-N -1 0 335.347 3.529 20 0 EHADRM O=C([O-])CCCCC(=O)O[C@@H]1CCc2c1cccc2OCC1CC1 ZINC001595034523 951389682 /nfs/dbraw/zinc/38/96/82/951389682.db2.gz AEKTUJQYTQXCRK-QGZVFWFLSA-N -1 0 332.396 3.651 20 0 EHADRM CCOc1ccccc1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001593063752 951404982 /nfs/dbraw/zinc/40/49/82/951404982.db2.gz TYWIGWBCNVQEPT-ZBFHGGJFSA-N -1 0 340.379 3.520 20 0 EHADRM O=C([O-])CCCCc1nc(-c2ccc(N3CCCCC3)cc2)no1 ZINC001595047464 951447967 /nfs/dbraw/zinc/44/79/67/951447967.db2.gz PWPGNXZHZQQUQH-UHFFFAOYSA-N -1 0 329.400 3.524 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)NCc2cscc2Cl)c1 ZINC001595066326 951550904 /nfs/dbraw/zinc/55/09/04/951550904.db2.gz IEHPBVVHCPZYJC-UHFFFAOYSA-N -1 0 338.816 3.740 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000398708930 951600853 /nfs/dbraw/zinc/60/08/53/951600853.db2.gz URMVLSAZQRWQAJ-IUCAKERBSA-N -1 0 331.199 3.568 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N2Cc3ccc(Cl)cc3C2)c1 ZINC001595132340 952042733 /nfs/dbraw/zinc/04/27/33/952042733.db2.gz VINMOIUDRGBZIN-UHFFFAOYSA-N -1 0 330.771 3.515 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1cc(-c2ccccc2)ccn1 ZINC001595137176 952061278 /nfs/dbraw/zinc/06/12/78/952061278.db2.gz MLUOXDKOQFKOKU-UHFFFAOYSA-N -1 0 332.359 3.628 20 0 EHADRM O=C([O-])[C@@H](Cc1ccccc1)NCc1csc(C2CCCC2)n1 ZINC001595159649 952189538 /nfs/dbraw/zinc/18/95/38/952189538.db2.gz YPLPFMRDQDSEFB-MRXNPFEDSA-N -1 0 330.453 3.586 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1cccc(-c2ccc(F)cc2Cl)n1 ZINC001595180776 952251177 /nfs/dbraw/zinc/25/11/77/952251177.db2.gz YBKPBQWTOINMCU-GHMZBOCLSA-N -1 0 348.761 3.590 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)C1[C@H]3CCCCCC[C@H]13)COCC2 ZINC001595206248 952328309 /nfs/dbraw/zinc/32/83/09/952328309.db2.gz DKNLFBUTFAEVSE-QWRGUYRKSA-N -1 0 349.452 3.674 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H](Oc2ccccc2)c2ccccc2)ccn1 ZINC001595207686 952341847 /nfs/dbraw/zinc/34/18/47/952341847.db2.gz BPGJHFOGYBLVJI-GOSISDBHSA-N -1 0 348.358 3.539 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(F)cc2C(F)(F)F)ccc1O ZINC001595209565 952358268 /nfs/dbraw/zinc/35/82/68/952358268.db2.gz OTZJSOHURUGEHU-UHFFFAOYSA-N -1 0 343.232 3.501 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCN2C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001602922945 971882259 /nfs/dbraw/zinc/88/22/59/971882259.db2.gz HDUWOFMVOZCKGT-UHFFFAOYSA-N -1 0 339.395 3.672 20 0 EHADRM O=C([O-])CCCCCNC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000414619635 953400856 /nfs/dbraw/zinc/40/08/56/953400856.db2.gz BRNIDHAUSZIUBS-RCCFBDPRSA-N -1 0 344.455 3.609 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)C1 ZINC001589269427 953402799 /nfs/dbraw/zinc/40/27/99/953402799.db2.gz VGZWDLUZMXEFCI-GZSUAUOCSA-N -1 0 329.440 3.567 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cccc(-c2ncco2)c1C)C(=O)[O-] ZINC000424385456 953455246 /nfs/dbraw/zinc/45/52/46/953455246.db2.gz GFLCDZGYBWYZOS-UHFFFAOYSA-N -1 0 345.399 3.663 20 0 EHADRM CC(C)(CCNC(=O)N1CCC[C@@H]1c1cccc(Cl)c1)C(=O)[O-] ZINC000424393794 953458669 /nfs/dbraw/zinc/45/86/69/953458669.db2.gz BKZXWSVJXNKBDG-CQSZACIVSA-N -1 0 338.835 3.687 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)CCCc1cc(F)ccc1F ZINC000450516056 953515045 /nfs/dbraw/zinc/51/50/45/953515045.db2.gz ALEBQBYQMZBZKU-HNNXBMFYSA-N -1 0 339.382 3.533 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])cc1 ZINC000486016930 953531367 /nfs/dbraw/zinc/53/13/67/953531367.db2.gz MAJAAAFVGLOUBR-LIRRHRJNSA-N -1 0 337.419 3.563 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)NC[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC001594766186 953532844 /nfs/dbraw/zinc/53/28/44/953532844.db2.gz LCMMYUSWUTYDCX-UKRRQHHQSA-N -1 0 346.333 3.555 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000507280101 953534651 /nfs/dbraw/zinc/53/46/51/953534651.db2.gz NRZHMDLMZPVPNM-ZIAGYGMSSA-N -1 0 346.770 3.577 20 0 EHADRM Cc1ccccc1C1(C(=O)N2CCC(CCC(=O)[O-])CC2)CCC1 ZINC000515870574 953539733 /nfs/dbraw/zinc/53/97/33/953539733.db2.gz ROLHVUIBERGTTN-UHFFFAOYSA-N -1 0 329.440 3.520 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC001594768836 953546320 /nfs/dbraw/zinc/54/63/20/953546320.db2.gz GQGFPTFOLCLZDJ-HYVNUMGLSA-N -1 0 330.428 3.543 20 0 EHADRM Cc1cc(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)ccc1C(F)(F)F ZINC000562806529 953591314 /nfs/dbraw/zinc/59/13/14/953591314.db2.gz HPHWMBYINXIUAW-LLVKDONJSA-N -1 0 344.333 3.732 20 0 EHADRM CCc1cc2c(nc(C)nc2N2CCC[C@H](CCC(=O)[O-])C2)s1 ZINC001593633743 953595406 /nfs/dbraw/zinc/59/54/06/953595406.db2.gz GOIQJVZNKNZZHQ-GFCCVEGCSA-N -1 0 333.457 3.643 20 0 EHADRM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2ccnc(C(=O)[O-])c2)C1 ZINC001589291555 953605359 /nfs/dbraw/zinc/60/53/59/953605359.db2.gz LFUCHLLHCTXARB-BZNIZROVSA-N -1 0 343.358 3.534 20 0 EHADRM C[C@@H]1C[C@H](NC(=O)NCCCCC(=O)[O-])C[C@@H](c2ccccc2)C1 ZINC001589292933 953618416 /nfs/dbraw/zinc/61/84/16/953618416.db2.gz IRCPIWLBAFOZLQ-XIRDDKMYSA-N -1 0 332.444 3.513 20 0 EHADRM C[C@H]1CCN(c2nc3cc(Cl)cc(Cl)c3o2)C[C@@H]1C(=O)[O-] ZINC000567866594 953637188 /nfs/dbraw/zinc/63/71/88/953637188.db2.gz ZNKAFGPASONPEJ-CBAPKCEASA-N -1 0 329.183 3.682 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CNC(=O)Nc2cccc(CCC(=O)[O-])c2)o1 ZINC001589297076 953658120 /nfs/dbraw/zinc/65/81/20/953658120.db2.gz WWICNRFKUAFDEA-LRDDRELGSA-N -1 0 342.395 3.742 20 0 EHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC001593642380 953658648 /nfs/dbraw/zinc/65/86/48/953658648.db2.gz JEEXUBPSDHGUGE-DLBZAZTESA-N -1 0 329.440 3.646 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000574638589 953680835 /nfs/dbraw/zinc/68/08/35/953680835.db2.gz YVVIADOQRRHVBE-MFKMUULPSA-N -1 0 341.860 3.635 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000576327772 953687415 /nfs/dbraw/zinc/68/74/15/953687415.db2.gz UMEJJBHLOJYLGH-UONOGXRCSA-N -1 0 344.411 3.699 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)N(Cc1ccc(F)cc1Cl)CC1CC1 ZINC001602961221 971950804 /nfs/dbraw/zinc/95/08/04/971950804.db2.gz RYBJEBUBLLOULW-OAHLLOKOSA-N -1 0 341.810 3.575 20 0 EHADRM CCc1nc(C(C)C)ccc1C(=O)Nc1ccccc1CC(=O)[O-] ZINC001593649166 953698696 /nfs/dbraw/zinc/69/86/96/953698696.db2.gz WLKKCIYGZQNWOW-UHFFFAOYSA-N -1 0 326.396 3.647 20 0 EHADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1cccc(F)c1Sc1ccccc1 ZINC001594795056 953709523 /nfs/dbraw/zinc/70/95/23/953709523.db2.gz NNMCVZYZRZTVBV-TXEJJXNPSA-N -1 0 345.395 3.570 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1csc(C2CCCCC2)n1 ZINC001589304219 953724980 /nfs/dbraw/zinc/72/49/80/953724980.db2.gz HHUQIYJYXBQOPX-YPMHNXCESA-N -1 0 336.457 3.516 20 0 EHADRM CC(C)c1ccc(CN(C)C(=O)c2cccc(OCC(=O)[O-])c2)cc1 ZINC000621537793 953792444 /nfs/dbraw/zinc/79/24/44/953792444.db2.gz JNXKPATWPWQPRE-UHFFFAOYSA-N -1 0 341.407 3.546 20 0 EHADRM CCC(C)(C)c1ccc(CNC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000626758011 953812617 /nfs/dbraw/zinc/81/26/17/953812617.db2.gz KHIXOUUGORPNIV-PBHICJAKSA-N -1 0 346.471 3.626 20 0 EHADRM C[C@@H]1CCC[C@H](C)N(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)C1 ZINC001589314395 953818827 /nfs/dbraw/zinc/81/88/27/953818827.db2.gz CEKIMMPUZODPNG-OSRSDYAFSA-N -1 0 330.428 3.520 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(SCc2ccccc2)cn1 ZINC001602969651 971962000 /nfs/dbraw/zinc/96/20/00/971962000.db2.gz BGGRRBAMIQCEQP-MRXNPFEDSA-N -1 0 344.436 3.669 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)NC1(c2ccccc2Cl)CCC1 ZINC001594811578 953831280 /nfs/dbraw/zinc/83/12/80/953831280.db2.gz BRDAGFIRVMTEIO-UHFFFAOYSA-N -1 0 345.786 3.634 20 0 EHADRM C[C@H]1CC[C@@H](CC(=O)Nc2scc(-c3cnn(C)c3)c2C(=O)[O-])C1 ZINC001589323016 953881884 /nfs/dbraw/zinc/88/18/84/953881884.db2.gz DEEKTQUNPWLTEE-WDEREUQCSA-N -1 0 347.440 3.612 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)N[C@H]2CCCC23CC3)CC1 ZINC000635520768 953891523 /nfs/dbraw/zinc/89/15/23/953891523.db2.gz IPUYRUGQPSJUJO-KRWDZBQOSA-N -1 0 342.439 3.607 20 0 EHADRM C[C@@H]1CCCN(C(=O)/C=C/c2ccc(F)c3ccccc23)[C@@H]1C(=O)[O-] ZINC001589325191 953896649 /nfs/dbraw/zinc/89/66/49/953896649.db2.gz AAKGFBCICVWFMA-XRJHSEENSA-N -1 0 341.382 3.704 20 0 EHADRM CN(C(=O)Nc1cccnc1C(=O)[O-])[C@@H]1CCC[C@H]1c1ccccc1 ZINC001593680490 953945801 /nfs/dbraw/zinc/94/58/01/953945801.db2.gz COXXMVGUPCOKBE-GOEBONIOSA-N -1 0 339.395 3.580 20 0 EHADRM O=C([O-])C1(C(=O)N(Cc2ccccc2F)CC2CC2)CCCCC1 ZINC001594842962 954096161 /nfs/dbraw/zinc/09/61/61/954096161.db2.gz ASXMLQREJOMXFO-UHFFFAOYSA-N -1 0 333.403 3.599 20 0 EHADRM O=C([O-])[C@@H](NCc1ncc(-c2ccccc2F)o1)c1ccc(F)cc1 ZINC001594844535 954124497 /nfs/dbraw/zinc/12/44/97/954124497.db2.gz VKHIYMQAQOUQDJ-KRWDZBQOSA-N -1 0 344.317 3.535 20 0 EHADRM C[C@H]1CCc2nc(NC(=O)C3(C(=O)[O-])CCCCCC3)sc2C1 ZINC001589363485 954170107 /nfs/dbraw/zinc/17/01/07/954170107.db2.gz IUFKRLBACNOTQZ-NSHDSACASA-N -1 0 336.457 3.632 20 0 EHADRM CN(C)c1ccc(-n2ccnc2SCCC2(C(=O)[O-])CCC2)cc1 ZINC001593710616 954184034 /nfs/dbraw/zinc/18/40/34/954184034.db2.gz HXFTYHUPAUASLW-UHFFFAOYSA-N -1 0 345.468 3.675 20 0 EHADRM CSc1ccc(NC(=O)NC[C@@H](C(=O)[O-])C(C)C)cc1Cl ZINC000653539538 954188705 /nfs/dbraw/zinc/18/87/05/954188705.db2.gz CYNRVZFTKFHSMV-SNVBAGLBSA-N -1 0 330.837 3.540 20 0 EHADRM O=C([O-])CCCSc1ncc(Br)cc1C(F)(F)F ZINC000385299416 971994240 /nfs/dbraw/zinc/99/42/40/971994240.db2.gz SVEIQUJNLNLIPH-UHFFFAOYSA-N -1 0 344.152 3.820 20 0 EHADRM O=C([O-])CN(C(=O)Cc1csc2ccc(Cl)cc12)C1CCC1 ZINC000655588960 954228502 /nfs/dbraw/zinc/22/85/02/954228502.db2.gz SLKNXRVOWYCTEK-UHFFFAOYSA-N -1 0 337.828 3.563 20 0 EHADRM C[C@@H](CC(=O)N(CC(=O)[O-])C1CCC1)c1cccc(C(F)(F)F)c1 ZINC000655590507 954230353 /nfs/dbraw/zinc/23/03/53/954230353.db2.gz KCSSLQLULLHSIS-NSHDSACASA-N -1 0 343.345 3.665 20 0 EHADRM C[C@H](NC(=O)N[C@@H](c1ccccc1)C1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655862121 954246736 /nfs/dbraw/zinc/24/67/36/954246736.db2.gz YFNDUWCPXGGASM-SJWGOKEGSA-N -1 0 344.455 3.572 20 0 EHADRM Cc1cc(C)c(CNC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c(C)c1 ZINC000655865152 954249545 /nfs/dbraw/zinc/24/95/45/954249545.db2.gz KUXLRLKEAFFPCE-BHYGNILZSA-N -1 0 346.471 3.546 20 0 EHADRM CSCC1CCC(NC(=O)Nc2cccc(C(=O)[O-])c2C)CC1 ZINC000385413695 971999970 /nfs/dbraw/zinc/99/99/70/971999970.db2.gz ZSUHRMSBNGQGSH-UHFFFAOYSA-N -1 0 336.457 3.737 20 0 EHADRM CC(C)C[C@@]1(C)CCCN1C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655900082 954280768 /nfs/dbraw/zinc/28/07/68/954280768.db2.gz OHBVJEMWEHLVOH-NXEZDXNNSA-N -1 0 338.492 3.732 20 0 EHADRM O=C([O-])C1(C(=O)NCCc2cc(Cl)cc(Cl)c2)CCCCC1 ZINC001594862150 954283515 /nfs/dbraw/zinc/28/35/15/954283515.db2.gz MVGIWBPVOTVXNK-UHFFFAOYSA-N -1 0 344.238 3.687 20 0 EHADRM O=C([O-])C1(C(=O)NCc2ccc(Cl)c(Cl)c2)CCCCC1 ZINC001594862818 954288907 /nfs/dbraw/zinc/28/89/07/954288907.db2.gz NWQHZPXPUPATGG-UHFFFAOYSA-N -1 0 330.211 3.645 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@@H]1c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655908665 954292976 /nfs/dbraw/zinc/29/29/76/954292976.db2.gz RNBICIRDTOBDNB-QMCVQRASSA-N -1 0 344.455 3.669 20 0 EHADRM Cc1ccccc1C1(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)CCC1 ZINC000659143844 954310519 /nfs/dbraw/zinc/31/05/19/954310519.db2.gz OSDNOTMONPXMIY-GOSISDBHSA-N -1 0 349.430 3.627 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000659144030 954311160 /nfs/dbraw/zinc/31/11/60/954311160.db2.gz AGKIJPWSOUKOQH-BZSNNMDCSA-N -1 0 329.440 3.501 20 0 EHADRM O=C([O-])c1cccc(C(=O)N(Cc2ccccc2F)CC2CC2)c1 ZINC000659201985 954314793 /nfs/dbraw/zinc/31/47/93/954314793.db2.gz YYTUDBPNMHTQNK-UHFFFAOYSA-N -1 0 327.355 3.576 20 0 EHADRM CC(C)[C@H](CNC(=O)c1c(Cl)ccc(Cl)c1Cl)C(=O)[O-] ZINC001602983235 972004875 /nfs/dbraw/zinc/00/48/75/972004875.db2.gz JPEYOKBZTKZMNL-ZETCQYMHSA-N -1 0 338.618 3.733 20 0 EHADRM Cc1ccc2oc(CNC(=O)N3CCC(CCC(=O)[O-])CC3)cc2c1 ZINC000659412511 954334926 /nfs/dbraw/zinc/33/49/26/954334926.db2.gz KMMVEWRAEZXVHV-UHFFFAOYSA-N -1 0 344.411 3.528 20 0 EHADRM CCc1ccc(NC(=O)c2ccc(Br)cc2)c(C(=O)[O-])c1 ZINC000385658105 972006572 /nfs/dbraw/zinc/00/65/72/972006572.db2.gz ZOTGEADXFJOOES-UHFFFAOYSA-N -1 0 348.196 3.962 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1c1nc2cccc(OC(F)F)c2s1 ZINC000662892975 954400418 /nfs/dbraw/zinc/40/04/18/954400418.db2.gz HKUZLUQSQBZTES-RKDXNWHRSA-N -1 0 342.367 3.587 20 0 EHADRM Cc1ccc(Cc2ccccn2)cc1NC(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC000663049990 954422401 /nfs/dbraw/zinc/42/24/01/954422401.db2.gz QKMWHOGQINPITE-KRWDZBQOSA-N -1 0 340.423 3.666 20 0 EHADRM CN(Cc1ccc(F)c(F)c1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001593759969 954474865 /nfs/dbraw/zinc/47/48/65/954474865.db2.gz FYDXXINOVVLVMU-UHFFFAOYSA-N -1 0 348.349 3.646 20 0 EHADRM C[C@H]1CSc2ccc(Cl)cc2N(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])C1 ZINC001589409010 954499742 /nfs/dbraw/zinc/49/97/42/954499742.db2.gz RHJQVUFUOAXXCB-YUSALJHKSA-N -1 0 339.844 3.526 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)c1 ZINC000663345656 954538556 /nfs/dbraw/zinc/53/85/56/954538556.db2.gz ZSMILOJYXYRCMG-KBPBESRZSA-N -1 0 336.432 3.653 20 0 EHADRM CN(CCC(=O)[O-])C(=O)C(C)(C)c1ccc(-c2ccccc2)cc1 ZINC000668275114 954567177 /nfs/dbraw/zinc/56/71/77/954567177.db2.gz RYONPPBJNSFURK-UHFFFAOYSA-N -1 0 325.408 3.564 20 0 EHADRM C[C@@H](CC(=O)N(CC(=O)[O-])CC1CC1)c1ccc(C(F)(F)F)cc1 ZINC000675975360 954581310 /nfs/dbraw/zinc/58/13/10/954581310.db2.gz YJHJSVMICCRKKU-NSHDSACASA-N -1 0 343.345 3.522 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl ZINC001589433276 954664359 /nfs/dbraw/zinc/66/43/59/954664359.db2.gz DRIVCXLTNPNDEE-DJFZKKHWSA-N -1 0 349.736 3.694 20 0 EHADRM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC001589462445 954862018 /nfs/dbraw/zinc/86/20/18/954862018.db2.gz FCARPQVPASRFKQ-XJKSGUPXSA-N -1 0 335.444 3.535 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)NCCc1ccc(Cl)cc1Cl ZINC001589473785 954940528 /nfs/dbraw/zinc/94/05/28/954940528.db2.gz CPDABWZUYPYZDY-UHFFFAOYSA-N -1 0 332.227 3.543 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)Nc1ccc(C(F)F)cc1 ZINC000386463740 972055976 /nfs/dbraw/zinc/05/59/76/972055976.db2.gz STOIDNVAPVULPY-UHFFFAOYSA-N -1 0 334.322 3.986 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)NCC(C)(C)c1ccccc1Cl ZINC001589474652 954953052 /nfs/dbraw/zinc/95/30/52/954953052.db2.gz YIOFEFVYQYOIAR-UHFFFAOYSA-N -1 0 325.836 3.625 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1cc(C(F)F)ccc1F)C(=O)[O-] ZINC001603010763 972063249 /nfs/dbraw/zinc/06/32/49/972063249.db2.gz VSASPTSOXNUKNE-SNVBAGLBSA-N -1 0 332.322 3.632 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1cc(C(F)F)ccc1F)C(=O)[O-] ZINC001603010762 972063257 /nfs/dbraw/zinc/06/32/57/972063257.db2.gz VSASPTSOXNUKNE-JTQLQIEISA-N -1 0 332.322 3.632 20 0 EHADRM CCC(CC)c1cc(CNC(=O)Nc2ccccc2C(=O)[O-])on1 ZINC001589512724 955053014 /nfs/dbraw/zinc/05/30/14/955053014.db2.gz MXUUXAIVUCLUNZ-UHFFFAOYSA-N -1 0 331.372 3.598 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)N[C@@H](c2ccc(F)cc2F)C2CC2)co1 ZINC001594967163 955069637 /nfs/dbraw/zinc/06/96/37/955069637.db2.gz YJQWEUNLMOQYSK-UKINESCASA-N -1 0 347.317 3.537 20 0 EHADRM CC(C)CCc1ccc(S(=O)(=O)Oc2ccccc2C(=O)[O-])cc1 ZINC001603024461 972083196 /nfs/dbraw/zinc/08/31/96/972083196.db2.gz QUGYGBPDKFICEN-UHFFFAOYSA-N -1 0 348.420 3.741 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2sccc2-c2ccc(F)cc2)C1 ZINC000769528899 955321202 /nfs/dbraw/zinc/32/12/02/955321202.db2.gz YFUNKBAJCAOIFE-LBPRGKRZSA-N -1 0 347.411 3.881 20 0 EHADRM Cc1oc(-c2cccs2)nc1C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000777395092 955338613 /nfs/dbraw/zinc/33/86/13/955338613.db2.gz ICBBRWXRYFFUHN-GFCCVEGCSA-N -1 0 348.424 3.571 20 0 EHADRM Cc1oc(C(C)(C)C)cc1C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001594507234 955369381 /nfs/dbraw/zinc/36/93/81/955369381.db2.gz UMFRPVFSQLOGCM-HXUWFJFHSA-N -1 0 343.423 3.658 20 0 EHADRM COC(=O)c1cc(C(C)C)ccc1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001593869568 955616622 /nfs/dbraw/zinc/61/66/22/955616622.db2.gz HCUZMQLJNQHPLP-UHFFFAOYSA-N -1 0 341.363 3.547 20 0 EHADRM C[C@](CNC(=O)Nc1cscc1Cl)(C(=O)[O-])c1ccccc1 ZINC001589056830 955703355 /nfs/dbraw/zinc/70/33/55/955703355.db2.gz IFKKWZPHRXOOSW-OAHLLOKOSA-N -1 0 338.816 3.566 20 0 EHADRM CC1CCN(c2ccc(NC(=O)[C@]3(C(=O)[O-])CC=CCC3)cc2)CC1 ZINC000846706278 955711056 /nfs/dbraw/zinc/71/10/56/955711056.db2.gz LCRNTTGIGLDUQC-FQEVSTJZSA-N -1 0 342.439 3.673 20 0 EHADRM COC(=O)c1ccc(OC(C)C)c(NCc2ccc(C(=O)[O-])s2)c1 ZINC001593882966 955726623 /nfs/dbraw/zinc/72/66/23/955726623.db2.gz JZHKVOFSARFMGJ-UHFFFAOYSA-N -1 0 349.408 3.632 20 0 EHADRM C[C@@H](C(=O)[O-])c1noc([C@@H](C)Cc2ccc(C(F)(F)F)cc2)n1 ZINC001589079006 955837317 /nfs/dbraw/zinc/83/73/17/955837317.db2.gz HXMRBFNJLSYIKE-DTWKUNHWSA-N -1 0 328.290 3.623 20 0 EHADRM C[C@H](Cc1cccc(F)c1)N(C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001589080480 955845704 /nfs/dbraw/zinc/84/57/04/955845704.db2.gz AHEQQJCPTZQWRR-GFCCVEGCSA-N -1 0 330.359 3.619 20 0 EHADRM C[C@@H](Cc1ccccc1)n1cccc1C(=O)NCCCCCC(=O)[O-] ZINC001589080616 955848650 /nfs/dbraw/zinc/84/86/50/955848650.db2.gz ISVWAKKUHBHJIJ-INIZCTEOSA-N -1 0 342.439 3.667 20 0 EHADRM C[C@@H](Cc1nc([C@H](C)C(=O)[O-])no1)c1cccc(C(F)(F)F)c1 ZINC001589084187 955888634 /nfs/dbraw/zinc/88/86/34/955888634.db2.gz XQWJWWLPNVQKNM-IUCAKERBSA-N -1 0 328.290 3.623 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N(Cc2ccccc2F)CC2CC2)o1 ZINC000864155542 955970167 /nfs/dbraw/zinc/97/01/67/955970167.db2.gz SDBIVDIUPNFDLU-NTMALXAHSA-N -1 0 343.354 3.569 20 0 EHADRM CC(C)O[C@@H](C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1ccccc1 ZINC001603076008 972148070 /nfs/dbraw/zinc/14/80/70/972148070.db2.gz RIBKTUANZIINFW-JKSUJKDBSA-N -1 0 335.444 3.548 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)c1cc2cnccc2o1 ZINC001589108863 956053059 /nfs/dbraw/zinc/05/30/59/956053059.db2.gz SPDJXELUCWJTQI-VIFPVBQESA-N -1 0 343.314 3.548 20 0 EHADRM C[C@@](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)(C(=O)[O-])c1ccccc1 ZINC001589114317 956079877 /nfs/dbraw/zinc/07/98/77/956079877.db2.gz JWXCKMXWKLRQSK-FCEWJHQRSA-N -1 0 343.810 3.560 20 0 EHADRM C[C@H](NC(=O)c1[nH]ccc1-c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589114464 956081957 /nfs/dbraw/zinc/08/19/57/956081957.db2.gz OZYOMKLCAQFUSM-VBNZEHGJSA-N -1 0 340.423 3.547 20 0 EHADRM Cc1cc(Br)c(F)cc1NC1CCC(C(=O)[O-])CC1 ZINC000388230933 972161466 /nfs/dbraw/zinc/16/14/66/972161466.db2.gz YZWGMUBZIHDUCX-UHFFFAOYSA-N -1 0 330.197 3.952 20 0 EHADRM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC1(C(=O)[O-])CCCCC1 ZINC001589167592 956433954 /nfs/dbraw/zinc/43/39/54/956433954.db2.gz HRKFGZKKKNTRMM-CQSZACIVSA-N -1 0 347.455 3.655 20 0 EHADRM CC(C)Oc1ccccc1[C@H](C)NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC000901834812 956495758 /nfs/dbraw/zinc/49/57/58/956495758.db2.gz YLXTZUCAZHUZRC-YXVBKTCISA-N -1 0 343.379 3.656 20 0 EHADRM O=C(/C=C/C1CCCCC1)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001594667338 956589470 /nfs/dbraw/zinc/58/94/70/956589470.db2.gz GWCBLYRJBSXNQH-VOTSOKGWSA-N -1 0 335.425 3.594 20 0 EHADRM O=C(/C=C/c1ccc(C(=O)[O-])o1)O[C@@H](c1ccccc1)c1ccccn1 ZINC001594675341 956655058 /nfs/dbraw/zinc/65/50/58/956655058.db2.gz XBBFSDFIIWSPOG-RDELFYGPSA-N -1 0 349.342 3.719 20 0 EHADRM O=C([O-])[C@H](NC(=O)CC(C1CCC1)C1CCC1)c1ccc(F)cc1 ZINC001594675924 956663042 /nfs/dbraw/zinc/66/30/42/956663042.db2.gz NLTIOTNFGRJXHT-GOSISDBHSA-N -1 0 333.403 3.674 20 0 EHADRM CCCCC(=O)N1CC[C@@H](C(=O)[O-])c2cc(Br)ccc21 ZINC000902331086 956705381 /nfs/dbraw/zinc/70/53/81/956705381.db2.gz CYISTMARAXUJNP-LLVKDONJSA-N -1 0 340.217 3.544 20 0 EHADRM CC1(C)CCN(C(=O)Nc2cccc(Cl)c2C(=O)[O-])CCS1 ZINC000389304539 972218407 /nfs/dbraw/zinc/21/84/07/972218407.db2.gz DDSIIHREBHXSMJ-UHFFFAOYSA-N -1 0 342.848 3.788 20 0 EHADRM CC1(C)CC[C@H](NC(=O)Nc2ccnc(C(=O)[O-])c2)c2ccccc21 ZINC001589225427 956788873 /nfs/dbraw/zinc/78/88/73/956788873.db2.gz XQQBNIHYJAFLMV-HNNXBMFYSA-N -1 0 339.395 3.714 20 0 EHADRM CC1(C)CCC[C@@H]1[C@@H]1CCN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)C1 ZINC001589226143 956796577 /nfs/dbraw/zinc/79/65/77/956796577.db2.gz ZWRBFRXHYKAWDE-VEXXYJEVSA-N -1 0 331.412 3.666 20 0 EHADRM CC1(C)CCc2cccc(NC(=O)[C@H](C(=O)[O-])C3CCCC3)c2O1 ZINC001589227302 956810328 /nfs/dbraw/zinc/81/03/28/956810328.db2.gz VJWBDCYJGGGEAS-OAHLLOKOSA-N -1 0 331.412 3.620 20 0 EHADRM COCCC[C@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001593993256 956857229 /nfs/dbraw/zinc/85/72/29/956857229.db2.gz SSICQHVJLLLAQO-MNOVXSKESA-N -1 0 339.457 3.572 20 0 EHADRM O=C([O-])c1ccc(CNc2ccc(O[C@H]3CCCC[C@H]3O)cc2)s1 ZINC000903686274 956866490 /nfs/dbraw/zinc/86/64/90/956866490.db2.gz GSZJARRNGFSLCG-CVEARBPZSA-N -1 0 347.436 3.741 20 0 EHADRM O=C([O-])c1cccc(CSc2nnc(-c3ccccc3F)o2)c1 ZINC000013062027 956921838 /nfs/dbraw/zinc/92/18/38/956921838.db2.gz IUCJHKKVJHXRFF-UHFFFAOYSA-N -1 0 330.340 3.866 20 0 EHADRM C[C@]1(Cc2cccs2)CCCN1C(=O)Cc1ccccc1C(=O)[O-] ZINC001589246478 956927849 /nfs/dbraw/zinc/92/78/49/956927849.db2.gz CEJILFLHXITMEL-LJQANCHMSA-N -1 0 343.448 3.613 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccc(F)cc1 ZINC001594716604 956936663 /nfs/dbraw/zinc/93/66/63/956936663.db2.gz YDEBXQYNORVSFR-CRNXPOROSA-N -1 0 333.403 3.674 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000013169678 956953540 /nfs/dbraw/zinc/95/35/40/956953540.db2.gz KLHSASBZKMJFTH-UHFFFAOYSA-N -1 0 337.297 3.893 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)c1ccc2c(c1)OCO2 ZINC000013171407 956954777 /nfs/dbraw/zinc/95/47/77/956954777.db2.gz DBXHRBYYYJKNNF-UHFFFAOYSA-N -1 0 335.315 3.519 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000013171326 956954840 /nfs/dbraw/zinc/95/48/40/956954840.db2.gz KNXKPRPIFMKDFJ-UHFFFAOYSA-N -1 0 336.303 3.699 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cc2c(s1)CCCC2)c1ccc(F)cc1 ZINC000013176946 956957980 /nfs/dbraw/zinc/95/79/80/956957980.db2.gz VLTWAUSHBCXVFT-CQSZACIVSA-N -1 0 347.411 3.712 20 0 EHADRM Cc1c2ccccc2oc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1 ZINC000013180468 956965467 /nfs/dbraw/zinc/96/54/67/956965467.db2.gz DTWTUQUMZWKICX-INIZCTEOSA-N -1 0 337.375 3.995 20 0 EHADRM CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])cc1OC ZINC000013188009 956972364 /nfs/dbraw/zinc/97/23/64/956972364.db2.gz WCMVBBFEBJFPBM-UHFFFAOYSA-N -1 0 349.770 3.698 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000013225218 956984402 /nfs/dbraw/zinc/98/44/02/956984402.db2.gz ANNMSCKRSLNIJU-HERUPUMHSA-N -1 0 342.222 3.851 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cc1ccc2ccccc2c1 ZINC000013225767 956984666 /nfs/dbraw/zinc/98/46/66/956984666.db2.gz FXWZGZQCCZWCAI-FHWLQOOXSA-N -1 0 337.419 3.627 20 0 EHADRM CCc1cccc(CC)c1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000013255532 956993439 /nfs/dbraw/zinc/99/34/39/956993439.db2.gz LTWXYYTYDCKPQO-UHFFFAOYSA-N -1 0 342.351 3.670 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)c2cccc(F)c2Cl)c2ccccc21 ZINC001594725563 956994663 /nfs/dbraw/zinc/99/46/63/956994663.db2.gz AVALZUOOLSUJEX-JSGCOSHPSA-N -1 0 333.746 3.522 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2c[nH]cc2-c2ccccc2F)C1 ZINC000909479687 957020770 /nfs/dbraw/zinc/02/07/70/957020770.db2.gz SIYKXRZJUICEFT-ZDUSSCGKSA-N -1 0 344.386 3.538 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)Cc1ccc2ccccc2c1)c1cccs1 ZINC000013388584 957041440 /nfs/dbraw/zinc/04/14/40/957041440.db2.gz GUSNETNBJNYNEI-MRXNPFEDSA-N -1 0 339.416 3.776 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)/C=C/c1ccccc1F ZINC000013390104 957042108 /nfs/dbraw/zinc/04/21/08/957042108.db2.gz QMWAAVQPSPWVQX-ZHACJKMWSA-N -1 0 325.339 3.517 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)C2(c3cccc(F)c3)CCCC2)cc1 ZINC000013439810 957078232 /nfs/dbraw/zinc/07/82/32/957078232.db2.gz DIUSVIUBFVLPFZ-UHFFFAOYSA-N -1 0 341.382 3.903 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000911575116 957081603 /nfs/dbraw/zinc/08/16/03/957081603.db2.gz UMORHLSBDOJCON-MSOLQXFVSA-N -1 0 347.455 3.526 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)NC[C@H]2CCCCC2(F)F)cc1F ZINC000389820394 972249085 /nfs/dbraw/zinc/24/90/85/972249085.db2.gz MYJIWZSGSYDIJE-MRVPVSSYSA-N -1 0 348.296 3.610 20 0 EHADRM CC(C)C[C@H](NC(=O)c1sc2ccccc2c1Cl)C(=O)[O-] ZINC000037406848 957278110 /nfs/dbraw/zinc/27/81/10/957278110.db2.gz WIVCGFSESLKVTA-JTQLQIEISA-N -1 0 325.817 3.784 20 0 EHADRM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1sccc1C(=O)[O-] ZINC000037450488 957292821 /nfs/dbraw/zinc/29/28/21/957292821.db2.gz OHZJDYAACOKGLP-MRVPVSSYSA-N -1 0 325.773 3.506 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)CCSc1ccc(Cl)cc1 ZINC000037590053 957311759 /nfs/dbraw/zinc/31/17/59/957311759.db2.gz PPJZXDOCBJCIHU-NSHDSACASA-N -1 0 329.849 3.534 20 0 EHADRM O=C([O-])c1cccnc1SCc1nnc(-c2ccccc2Cl)o1 ZINC000390334734 972276966 /nfs/dbraw/zinc/27/69/66/972276966.db2.gz UJHPXZHBLIPAAT-UHFFFAOYSA-N -1 0 347.783 3.776 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000062872208 957615703 /nfs/dbraw/zinc/61/57/03/957615703.db2.gz CLTIEQPWVNRRKP-AWEZNQCLSA-N -1 0 331.199 3.712 20 0 EHADRM Cc1cccc(O[C@H](C)C(=O)Oc2ccc(Cl)cc2C(=O)[O-])c1 ZINC000066143472 957640591 /nfs/dbraw/zinc/64/05/91/957640591.db2.gz ZKEJUTSQXDKUET-LLVKDONJSA-N -1 0 334.755 3.720 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)c(Cl)c1Cl ZINC001329244972 957691895 /nfs/dbraw/zinc/69/18/95/957691895.db2.gz HSRIIAWAOZUMKU-SECBINFHSA-N -1 0 331.199 3.630 20 0 EHADRM Cc1cc(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)c(-n2cccc2)s1 ZINC001594281016 957743119 /nfs/dbraw/zinc/74/31/19/957743119.db2.gz HVJQYAFHWGKCMM-AWEZNQCLSA-N -1 0 348.468 3.714 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N(CC(C)C)c2ccc(F)cn2)c1 ZINC001594281750 957753591 /nfs/dbraw/zinc/75/35/91/957753591.db2.gz FGDKPCFDWGQKFM-UHFFFAOYSA-N -1 0 330.359 3.530 20 0 EHADRM Cc1ccc(OC(F)F)c(CNC(=O)c2cc(C)cc(C(=O)[O-])c2)c1 ZINC001594286159 957780221 /nfs/dbraw/zinc/78/02/21/957780221.db2.gz OEOVCQZJZSXSBE-UHFFFAOYSA-N -1 0 349.333 3.533 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2cccc(Br)c2)c1 ZINC001594289459 957815456 /nfs/dbraw/zinc/81/54/56/957815456.db2.gz XLPQDMXNRYZRMJ-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM O=C([O-])c1ccc(C(=O)Oc2cc(F)ccc2Br)cc1 ZINC001574796381 957822699 /nfs/dbraw/zinc/82/26/99/957822699.db2.gz LVYYRRLSHQFWEV-UHFFFAOYSA-N -1 0 339.116 3.506 20 0 EHADRM CSC[C@H]1CCCN(C(=O)Nc2sc(C)c(C)c2C(=O)[O-])C1 ZINC000390643645 972296936 /nfs/dbraw/zinc/29/69/36/972296936.db2.gz TUWRORKQAFKYDF-NSHDSACASA-N -1 0 342.486 3.670 20 0 EHADRM Cc1cc(C)cc(-c2nnc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)s2)c1 ZINC001594294411 957860836 /nfs/dbraw/zinc/86/08/36/957860836.db2.gz LDOSXPJSWQRVRR-GFCCVEGCSA-N -1 0 347.440 3.507 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccccc2-c2noc(C3CC3)n2)c1 ZINC001574807438 957861355 /nfs/dbraw/zinc/86/13/55/957861355.db2.gz JTSTWPPNYKLFHU-UHFFFAOYSA-N -1 0 349.346 3.565 20 0 EHADRM Cc1ccccc1CN(C(=O)NCc1ccccc1C(=O)[O-])C1CC1 ZINC001339939262 957906968 /nfs/dbraw/zinc/90/69/68/957906968.db2.gz KROUWGKFPSXYMD-UHFFFAOYSA-N -1 0 338.407 3.567 20 0 EHADRM COc1ccc(N(C)C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000390848580 972304232 /nfs/dbraw/zinc/30/42/32/972304232.db2.gz GTGUIPMYMQHALA-UHFFFAOYSA-N -1 0 334.759 3.715 20 0 EHADRM COc1c(F)cc(F)cc1NC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001594046600 957935869 /nfs/dbraw/zinc/93/58/69/957935869.db2.gz WYWOGZQRTUHCGG-UHFFFAOYSA-N -1 0 336.294 3.624 20 0 EHADRM Cc1cc(F)ncc1C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001594310248 958003458 /nfs/dbraw/zinc/00/34/58/958003458.db2.gz JBZHOODYQSNBNS-QMMMGPOBSA-N -1 0 348.399 3.666 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2ccnc3ccccc32)s1 ZINC000390975727 972310397 /nfs/dbraw/zinc/31/03/97/972310397.db2.gz UFXXTPSFIDWUOK-UHFFFAOYSA-N -1 0 326.377 3.809 20 0 EHADRM COc1cc(Cl)c(Cl)cc1NC(=O)C1(CC(=O)[O-])CCC1 ZINC001594058998 958072658 /nfs/dbraw/zinc/07/26/58/958072658.db2.gz QGZJVRJXCYMDJK-UHFFFAOYSA-N -1 0 332.183 3.586 20 0 EHADRM C[C@H](Cc1ccco1)C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001603207491 972317417 /nfs/dbraw/zinc/31/74/17/972317417.db2.gz UAECFBNXFUVXFZ-SNVBAGLBSA-N -1 0 333.409 3.735 20 0 EHADRM COc1cc(NC(=O)[C@H](C(=O)[O-])C2CCCC2)cc2ccccc21 ZINC001594061720 958095551 /nfs/dbraw/zinc/09/55/51/958095551.db2.gz DTZUOHAMSGGPAN-QGZVFWFLSA-N -1 0 327.380 3.678 20 0 EHADRM CC(C)(NC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21)c1cccs1 ZINC001353155687 958151094 /nfs/dbraw/zinc/15/10/94/958151094.db2.gz LTVYITUJHLJTAB-KBPBESRZSA-N -1 0 344.436 3.596 20 0 EHADRM C[C@H](c1ccc(C(=O)[O-])o1)N(C)Cc1cc(Br)cs1 ZINC000091781460 958152649 /nfs/dbraw/zinc/15/26/49/958152649.db2.gz HMGHQRUSGBHLKB-MRVPVSSYSA-N -1 0 344.230 3.995 20 0 EHADRM Cc1cc(NC(=O)c2ccc(O[C@@H]3CC3(F)F)cc2)ccc1C(=O)[O-] ZINC001594325589 958167612 /nfs/dbraw/zinc/16/76/12/958167612.db2.gz PSBXGMUOVYVIOT-OAHLLOKOSA-N -1 0 347.317 3.732 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)NCc2csc3ccccc23)C1 ZINC001356608453 958177315 /nfs/dbraw/zinc/17/73/15/958177315.db2.gz OUJPCMLZGNEDAU-ZDUSSCGKSA-N -1 0 346.452 3.688 20 0 EHADRM Cc1cc2ccccc2nc1C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001594332323 958237920 /nfs/dbraw/zinc/23/79/20/958237920.db2.gz RDVOEPNJLQHPID-OAHLLOKOSA-N -1 0 328.412 3.553 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3CCC[C@@H](C)[C@@H]3C(=O)[O-])s2)o1 ZINC001594334193 958251735 /nfs/dbraw/zinc/25/17/35/958251735.db2.gz PIJKVYVKNHIGIK-MEBBXXQBSA-N -1 0 333.409 3.642 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)c(F)c2)cc1C ZINC001594334267 958253575 /nfs/dbraw/zinc/25/35/75/958253575.db2.gz QSUJMOBXSHYEHB-WKILWMFISA-N -1 0 341.382 3.703 20 0 EHADRM Cc1ccc(-c2nc(C3(C(=O)[O-])CCC3)no2)cc1C(F)(F)F ZINC001594335389 958259249 /nfs/dbraw/zinc/25/92/49/958259249.db2.gz QQVOVGRFMFGTQH-UHFFFAOYSA-N -1 0 326.274 3.570 20 0 EHADRM Cc1ccc(-c2cncc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])c2)cc1 ZINC001594336124 958267264 /nfs/dbraw/zinc/26/72/64/958267264.db2.gz YTWOURHWKXEOJZ-GOSISDBHSA-N -1 0 340.423 3.534 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)Nc1ccccc1Cl)C2 ZINC000391418376 972335123 /nfs/dbraw/zinc/33/51/23/972335123.db2.gz JFHHEEWNZQZFDF-UHFFFAOYSA-N -1 0 330.771 3.628 20 0 EHADRM C[C@@H](NC(=O)C1(CCc2ccccc2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603219438 972338377 /nfs/dbraw/zinc/33/83/77/972338377.db2.gz VUVBYPJGDWVEBA-HYVNUMGLSA-N -1 0 343.467 3.651 20 0 EHADRM COc1ccc(/C=C(\C)C(=O)Nc2cccc(C(=O)[O-])c2)cc1F ZINC001594086565 958319353 /nfs/dbraw/zinc/31/93/53/958319353.db2.gz AGWJFIJUKKZFCF-DHZHZOJOSA-N -1 0 329.327 3.575 20 0 EHADRM O=C([O-])c1ccc(-c2nnc(-c3ccc(Br)cc3)o2)cc1 ZINC000109606857 958380176 /nfs/dbraw/zinc/38/01/76/958380176.db2.gz QRCASWPLRQGDQD-UHFFFAOYSA-N -1 0 345.152 3.864 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)c(C)c1 ZINC001594354852 958404693 /nfs/dbraw/zinc/40/46/93/958404693.db2.gz JTBFHAUHJZNELD-IRXDYDNUSA-N -1 0 348.487 3.671 20 0 EHADRM CCOc1ccc(C(=O)Nc2sc(CC)cc2C(=O)[O-])cc1OC ZINC000391553620 972345764 /nfs/dbraw/zinc/34/57/64/972345764.db2.gz AUTXRDNKBKNWBS-UHFFFAOYSA-N -1 0 349.408 3.668 20 0 EHADRM Cc1ccc(CNC(=O)Nc2cccnc2C(=O)[O-])c2ccccc12 ZINC001594361234 958449568 /nfs/dbraw/zinc/44/95/68/958449568.db2.gz MFARRHODHDCMFY-UHFFFAOYSA-N -1 0 335.363 3.563 20 0 EHADRM COc1ccc(NC(=S)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC001594103828 958451841 /nfs/dbraw/zinc/45/18/41/958451841.db2.gz CWBNQSYILMDCFS-UHFFFAOYSA-N -1 0 330.409 3.521 20 0 EHADRM COc1ccc(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])c2ccccc12 ZINC001594106870 958476441 /nfs/dbraw/zinc/47/64/41/958476441.db2.gz YQSRYZIBILIDPE-ZDUSSCGKSA-N -1 0 344.411 3.717 20 0 EHADRM COc1ccc(NC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)c2ccccc12 ZINC001594106906 958477541 /nfs/dbraw/zinc/47/75/41/958477541.db2.gz ZXSNMOALSSDCGP-CHWSQXEVSA-N -1 0 342.395 3.565 20 0 EHADRM Cc1ccc(F)c2oc(C(=O)N[C@H](C(=O)[O-])c3ccc(F)cc3)cc21 ZINC001594364815 958482947 /nfs/dbraw/zinc/48/29/47/958482947.db2.gz HWNPYCBBPKGVQX-HNNXBMFYSA-N -1 0 345.301 3.575 20 0 EHADRM COc1ccc(OCc2ccsc2C(=O)[O-])c(Br)c1 ZINC000123346884 958500435 /nfs/dbraw/zinc/50/04/35/958500435.db2.gz HHLPHKFISAWRSZ-UHFFFAOYSA-N -1 0 343.198 3.796 20 0 EHADRM COc1ccc2cc(/C=C/C(=O)Nc3cccnc3C(=O)[O-])ccc2c1 ZINC001594118676 958584910 /nfs/dbraw/zinc/58/49/10/958584910.db2.gz XMBIKUKXAXNOJZ-WEVVVXLNSA-N -1 0 348.358 3.594 20 0 EHADRM COc1cccc([C@H](C)CC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC001594123564 958613161 /nfs/dbraw/zinc/61/31/61/958613161.db2.gz OWLWSVJGDCQXSA-CJNGLKHVSA-N -1 0 335.444 3.585 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)NC2CCCCCCC2)c1F ZINC000391727694 972362429 /nfs/dbraw/zinc/36/24/29/972362429.db2.gz YIEANEDTDZZWNJ-UHFFFAOYSA-N -1 0 326.343 3.897 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001594381168 958622949 /nfs/dbraw/zinc/62/29/49/958622949.db2.gz ABCUMQODYXRQHZ-UHFFFAOYSA-N -1 0 328.412 3.692 20 0 EHADRM Cc1ccc2c(ccc(C)c2C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC001594381578 958630734 /nfs/dbraw/zinc/63/07/34/958630734.db2.gz NWIORDBJOHZMDH-BBRMVZONSA-N -1 0 325.408 3.639 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001594381658 958633270 /nfs/dbraw/zinc/63/32/70/958633270.db2.gz VDAFSJCMAHYCGC-AEGPPILISA-N -1 0 342.439 3.650 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)Cc1c(F)cccc1Cl ZINC000128179069 958640809 /nfs/dbraw/zinc/64/08/09/958640809.db2.gz MVBXNXGNBWTISQ-UHFFFAOYSA-N -1 0 327.764 3.728 20 0 EHADRM COc1cccc(NC(=O)[C@H](S[C@H](C)C(=O)[O-])c2ccccc2)c1 ZINC001594131223 958670468 /nfs/dbraw/zinc/67/04/68/958670468.db2.gz SSGYEELEWQSFKU-MLGOLLRUSA-N -1 0 345.420 3.581 20 0 EHADRM CC(C)(C)C(C)(C)CNC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000391752011 972366723 /nfs/dbraw/zinc/36/67/23/972366723.db2.gz QGVYKPWZCYEGLD-ZDUSSCGKSA-N -1 0 326.481 3.591 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)CCCOc1ccccc1F ZINC001594388455 958695265 /nfs/dbraw/zinc/69/52/65/958695265.db2.gz WQSPRZDAGOEYQE-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001573391732 958705503 /nfs/dbraw/zinc/70/55/03/958705503.db2.gz XEFFGOZWYSMHME-RDJZCZTQSA-N -1 0 347.455 3.732 20 0 EHADRM CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001573391729 958705616 /nfs/dbraw/zinc/70/56/16/958705616.db2.gz XEFFGOZWYSMHME-NVXWUHKLSA-N -1 0 347.455 3.732 20 0 EHADRM Cc1ccc(NC(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)c(C(=O)[O-])c1 ZINC000391776893 972369821 /nfs/dbraw/zinc/36/98/21/972369821.db2.gz NVFIOJAFNWKHGO-JSGCOSHPSA-N -1 0 327.380 3.981 20 0 EHADRM Cc1cccc([C@@H](NC(=O)OCc2cccc(Cl)c2)C(=O)[O-])c1 ZINC001594391849 958736864 /nfs/dbraw/zinc/73/68/64/958736864.db2.gz BGFSUIDXNGHANO-OAHLLOKOSA-N -1 0 333.771 3.701 20 0 EHADRM O=C([O-])C1(CNC(=O)c2ccc(Cl)cc2Cl)CCCCC1 ZINC000131403244 958749414 /nfs/dbraw/zinc/74/94/14/958749414.db2.gz BAUYEDQRFXVZOZ-UHFFFAOYSA-N -1 0 330.211 3.758 20 0 EHADRM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000391789121 972373906 /nfs/dbraw/zinc/37/39/06/972373906.db2.gz YCEZUPWTAZGGDW-LBPRGKRZSA-N -1 0 347.798 3.777 20 0 EHADRM Cc1cccc([C@@H](NC(=O)Nc2nc3ccccc3s2)C(=O)[O-])c1 ZINC001594395324 958764658 /nfs/dbraw/zinc/76/46/58/958764658.db2.gz ZIFZJJVHAACBSQ-CQSZACIVSA-N -1 0 341.392 3.552 20 0 EHADRM Cc1cccc([C@H](NC(=O)CSc2ccc(C)cc2C)C(=O)[O-])c1 ZINC001594398353 958799699 /nfs/dbraw/zinc/79/96/99/958799699.db2.gz VCGGZNXNKVWLIG-SFHVURJKSA-N -1 0 343.448 3.646 20 0 EHADRM O=C([O-])C1(NC(=O)c2nc(-c3ccccc3)cs2)CCCCCC1 ZINC001605736667 972378613 /nfs/dbraw/zinc/37/86/13/972378613.db2.gz ZTLXLLWYYZCHPH-UHFFFAOYSA-N -1 0 344.436 3.718 20 0 EHADRM CC(=O)Nc1ccc(C(=O)Nc2c(C)cccc2C(=O)[O-])cc1Cl ZINC001588519691 958814677 /nfs/dbraw/zinc/81/46/77/958814677.db2.gz VQMWBASVFROFPY-UHFFFAOYSA-N -1 0 346.770 3.557 20 0 EHADRM Cc1cccc2c(C(=O)NC[C@](C)(C(=O)[O-])c3ccccc3)coc21 ZINC001594411438 958953011 /nfs/dbraw/zinc/95/30/11/958953011.db2.gz WWPBNOVZPIHBQI-FQEVSTJZSA-N -1 0 337.375 3.514 20 0 EHADRM Cc1nc(-c2ccccc2C)sc1C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC001594413533 958971229 /nfs/dbraw/zinc/97/12/29/958971229.db2.gz GYEXDXJPEZBHSV-CQSZACIVSA-N -1 0 346.452 3.514 20 0 EHADRM CC(C)[C@H]1N(C(=O)c2cccc(OCC(=O)[O-])c2)CC12CCCCC2 ZINC001573501677 959068289 /nfs/dbraw/zinc/06/82/89/959068289.db2.gz JJENTZSZJFMTCT-GOSISDBHSA-N -1 0 345.439 3.581 20 0 EHADRM CSCCCCC(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001594184373 959105218 /nfs/dbraw/zinc/10/52/18/959105218.db2.gz BOUORCWVQFLPBQ-UHFFFAOYSA-N -1 0 346.246 3.619 20 0 EHADRM CSc1ccc(Cl)c(NC(=O)NC[C@@H](C(=O)[O-])C(C)C)c1 ZINC001594194197 959186200 /nfs/dbraw/zinc/18/62/00/959186200.db2.gz SPCYEYFLOXZWIA-SNVBAGLBSA-N -1 0 330.837 3.540 20 0 EHADRM CC(C)Cc1ccc(CC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC001573539542 959186310 /nfs/dbraw/zinc/18/63/10/959186310.db2.gz QWALUYFLUHJOJW-NRFANRHFSA-N -1 0 339.435 3.544 20 0 EHADRM CSc1ccccc1[C@@H](C)NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001594198028 959214697 /nfs/dbraw/zinc/21/46/97/959214697.db2.gz SZXYNYFCHPGAAH-WSKFYRRCSA-N -1 0 331.393 3.590 20 0 EHADRM Cc1coc(-c2ccc(C)c(NC(=O)[C@]3(C(=O)[O-])CC=CCC3)c2)n1 ZINC001594436445 959242101 /nfs/dbraw/zinc/24/21/01/959242101.db2.gz ZZJUKYFRSOQWQZ-IBGZPJMESA-N -1 0 340.379 3.708 20 0 EHADRM Cc1ccc(Br)c(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000164171768 959254229 /nfs/dbraw/zinc/25/42/29/959254229.db2.gz FUCLBOKVHSOKDW-QWRGUYRKSA-N -1 0 340.217 3.587 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)C3(C(=O)[O-])CCCCC3)cc2)co1 ZINC001594444032 959313676 /nfs/dbraw/zinc/31/36/76/959313676.db2.gz IYFSEGFUIGREIW-UHFFFAOYSA-N -1 0 328.368 3.624 20 0 EHADRM Cc1nc(-c2cccs2)ccc1C(=O)N(CC(=O)[O-])CC(C)(C)C ZINC001594445931 959328414 /nfs/dbraw/zinc/32/84/14/959328414.db2.gz KFCRFAKSJYZLAY-UHFFFAOYSA-N -1 0 346.452 3.691 20 0 EHADRM C[C@@H](CCNC(=O)N1CCC[C@H](CCC(=O)[O-])C1)CC(C)(C)C ZINC001573580619 959352932 /nfs/dbraw/zinc/35/29/32/959352932.db2.gz PXUTUWMHJILEOG-LSDHHAIUSA-N -1 0 326.481 3.735 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1cc(Cl)cc(Br)c1 ZINC001594220065 959361843 /nfs/dbraw/zinc/36/18/43/959361843.db2.gz LCQDSIJMINJEBF-PRHODGIISA-N -1 0 332.625 3.540 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cc1O ZINC000392246030 972431809 /nfs/dbraw/zinc/43/18/09/972431809.db2.gz QFCCCEPHXHHMNK-UHFFFAOYSA-N -1 0 338.363 3.533 20 0 EHADRM Cc1nc2ccc(NC(=O)/C=C/c3ccc(C(=O)[O-])o3)cc2s1 ZINC001594464249 959492699 /nfs/dbraw/zinc/49/26/99/959492699.db2.gz ONSPWBKGWNUGRV-QPJJXVBHSA-N -1 0 328.349 3.548 20 0 EHADRM CCC[C@@H](NC(=O)c1cc(-c2ccc(OC)cc2)c(C)s1)C(=O)[O-] ZINC000185019469 959492796 /nfs/dbraw/zinc/49/27/96/959492796.db2.gz RTDSRVHHDODUIN-OAHLLOKOSA-N -1 0 347.436 3.715 20 0 EHADRM Cc1c(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])cccc1-c1ccccn1 ZINC000191030579 959536647 /nfs/dbraw/zinc/53/66/47/959536647.db2.gz AJRTYPQCRPCOPV-OAHLLOKOSA-N -1 0 340.423 3.534 20 0 EHADRM O=C([O-])CN(CCc1ccccc1)C(=O)c1cccc(-c2ccoc2)c1 ZINC000191323334 959555749 /nfs/dbraw/zinc/55/57/49/959555749.db2.gz JBFUVFUYDUFJSJ-UHFFFAOYSA-N -1 0 349.386 3.716 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)Cc2cccc(Cl)c2)cc1)C(=O)[O-] ZINC000191394030 959556987 /nfs/dbraw/zinc/55/69/87/959556987.db2.gz RMAGZMLVJHGAFY-LBPRGKRZSA-N -1 0 331.799 3.784 20 0 EHADRM CCOc1ccccc1C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000191411600 959562577 /nfs/dbraw/zinc/56/25/77/959562577.db2.gz VAPOBNIUSAKDIO-CYBMUJFWSA-N -1 0 327.380 3.601 20 0 EHADRM CCCOc1cccc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC000191431251 959568694 /nfs/dbraw/zinc/56/86/94/959568694.db2.gz RGXCQELFLDEVNZ-CQSZACIVSA-N -1 0 341.407 3.991 20 0 EHADRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(Cl)c1 ZINC000191519756 959576054 /nfs/dbraw/zinc/57/60/54/959576054.db2.gz VVALFDVZWPTURZ-INIZCTEOSA-N -1 0 331.799 3.546 20 0 EHADRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1F ZINC000191527300 959577345 /nfs/dbraw/zinc/57/73/45/959577345.db2.gz DTKDHVBRDRIFGE-AWEZNQCLSA-N -1 0 349.789 3.685 20 0 EHADRM C[C@@H]1C[C@H](CN2C[C@H](CCC(=O)[O-])Cc3ccccc32)C[C@H](C)O1 ZINC001594246747 959580307 /nfs/dbraw/zinc/58/03/07/959580307.db2.gz UTAFCPXBVZVOKD-TWMKSMIVSA-N -1 0 331.456 3.734 20 0 EHADRM C[C@H](NC(=O)CC(C)(C)CC(=O)[O-])c1ccc(-c2ccncc2)cc1 ZINC000191626208 959585927 /nfs/dbraw/zinc/58/59/27/959585927.db2.gz WNMKBIBZYTYQBO-AWEZNQCLSA-N -1 0 340.423 3.817 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NC2(Cc3ccccc3)CCCC2)C1 ZINC000191628067 959587702 /nfs/dbraw/zinc/58/77/02/959587702.db2.gz ZMUFNTDFOGAWFP-DLBZAZTESA-N -1 0 329.440 3.549 20 0 EHADRM COc1c(C)cc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1C ZINC000192869479 959592897 /nfs/dbraw/zinc/59/28/97/959592897.db2.gz QDPURTCWXMGVLN-RHSMWYFYSA-N -1 0 341.407 3.504 20 0 EHADRM CC(C)[C@H](C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000193077682 959612403 /nfs/dbraw/zinc/61/24/03/959612403.db2.gz CULKPFTWCAAYJF-RXVVDRJESA-N -1 0 339.435 3.585 20 0 EHADRM Cc1ccc(CCCC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)s1 ZINC000193095088 959615737 /nfs/dbraw/zinc/61/57/37/959615737.db2.gz SZBZJUZDSOYQIS-LJQANCHMSA-N -1 0 345.464 3.538 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001573655131 959664464 /nfs/dbraw/zinc/66/44/64/959664464.db2.gz AXTRGYSFTUIOML-GHMZBOCLSA-N -1 0 349.393 3.608 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1cccc(OCc2ccccc2)c1 ZINC001573667995 959713257 /nfs/dbraw/zinc/71/32/57/959713257.db2.gz PWZWNUVECSHZAJ-FQEVSTJZSA-N -1 0 339.391 3.705 20 0 EHADRM CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)C2(C(=O)[O-])CCSCC2)CC1 ZINC001588643780 959719811 /nfs/dbraw/zinc/71/98/11/959719811.db2.gz VIJQHLMTTVKANM-ZIAGYGMSSA-N -1 0 341.517 3.696 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)/C=C\c2ccc(Cl)s2)c1 ZINC000214766516 959737668 /nfs/dbraw/zinc/73/76/68/959737668.db2.gz YDTAWIJIRUHQPH-UTCJRWHESA-N -1 0 325.748 3.891 20 0 EHADRM Cc1c(F)c(F)ccc1NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001594266580 959743024 /nfs/dbraw/zinc/74/30/24/959743024.db2.gz LRTWBTVATBQXDO-GFCCVEGCSA-N -1 0 328.359 3.674 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 ZINC001588651819 959774808 /nfs/dbraw/zinc/77/48/08/959774808.db2.gz UQJAQKWPHMLYBU-CYBMUJFWSA-N -1 0 349.324 3.675 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)CCc1ccc(C(F)F)cc1 ZINC001588652515 959778145 /nfs/dbraw/zinc/77/81/45/959778145.db2.gz HNTYJZIWTRDMLC-UHFFFAOYSA-N -1 0 327.371 3.516 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)NCC2(C(=O)[O-])CCC2)C[C@H](c2ccccc2)C1 ZINC001573701613 959836113 /nfs/dbraw/zinc/83/61/13/959836113.db2.gz QDEFOPQCQGCCRO-USXIJHARSA-N -1 0 344.455 3.513 20 0 EHADRM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000392344198 972475004 /nfs/dbraw/zinc/47/50/04/972475004.db2.gz DKLQFXZTCRSZAG-UHFFFAOYSA-N -1 0 334.372 3.575 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)NCCCCCCc1ccccc1 ZINC001605776532 972485049 /nfs/dbraw/zinc/48/50/49/972485049.db2.gz BMHLJPXSBTVENG-UHFFFAOYSA-N -1 0 341.411 3.704 20 0 EHADRM COc1ccc(Br)c(CNc2cccc(C(=O)[O-])c2)c1 ZINC000234924589 960376631 /nfs/dbraw/zinc/37/66/31/960376631.db2.gz GYHHYYAWHVELGN-UHFFFAOYSA-N -1 0 336.185 3.768 20 0 EHADRM COc1cc(NCc2cc(C)c(C(=O)[O-])o2)ccc1Br ZINC000234929185 960378249 /nfs/dbraw/zinc/37/82/49/960378249.db2.gz FNUVFCNLPJKFCI-UHFFFAOYSA-N -1 0 340.173 3.669 20 0 EHADRM CSCCCCCNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC000235182551 960394583 /nfs/dbraw/zinc/39/45/83/960394583.db2.gz KPZWNKNNSBBHEQ-UHFFFAOYSA-N -1 0 332.809 3.892 20 0 EHADRM C[C@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)C[C@@H]1C(=O)[O-] ZINC001573725668 960401366 /nfs/dbraw/zinc/40/13/66/960401366.db2.gz GGXXOZSSVLVUIN-BBRMVZONSA-N -1 0 349.858 3.721 20 0 EHADRM C[C@H](C(=O)Nc1ccc(Br)c(C(=O)[O-])c1)c1ccccc1 ZINC000235449129 960434972 /nfs/dbraw/zinc/43/49/72/960434972.db2.gz WSVXQUWGJYPHHM-JTQLQIEISA-N -1 0 348.196 3.890 20 0 EHADRM Cc1cc(Br)c(F)cc1NCc1cccc(C(=O)[O-])n1 ZINC000235770025 960492936 /nfs/dbraw/zinc/49/29/36/960492936.db2.gz XIBGLRMGGINRBO-UHFFFAOYSA-N -1 0 339.164 3.602 20 0 EHADRM CSc1cc(Oc2cc(C(=O)[O-])ccc2F)nc(SC)n1 ZINC001574257928 960550951 /nfs/dbraw/zinc/55/09/51/960550951.db2.gz ZNDPDKYENRXTFU-UHFFFAOYSA-N -1 0 326.374 3.550 20 0 EHADRM C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)CCCC(=O)[O-] ZINC001573756658 960560683 /nfs/dbraw/zinc/56/06/83/960560683.db2.gz BAFQCGMDAHAYDT-SECBINFHSA-N -1 0 330.211 3.694 20 0 EHADRM O=C([O-])CC1(COc2cc(F)c(Cl)cc2Br)CC1 ZINC000236429009 960583753 /nfs/dbraw/zinc/58/37/53/960583753.db2.gz QRDNIHROJQMIIN-UHFFFAOYSA-N -1 0 337.572 3.875 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccc(Cl)c(Br)c2)C1 ZINC000236452382 960624210 /nfs/dbraw/zinc/62/42/10/960624210.db2.gz JAWFIPNNHLRRNC-JGVFFNPUSA-N -1 0 346.608 3.542 20 0 EHADRM CCc1oc2ccccc2c1C(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC001255838346 960656855 /nfs/dbraw/zinc/65/68/55/960656855.db2.gz BQAHRDGIHCSICA-QGZVFWFLSA-N -1 0 341.338 3.690 20 0 EHADRM N#Cc1cc(F)ccc1NCc1ccc(C(=O)[O-])cc1Br ZINC000236476033 960660806 /nfs/dbraw/zinc/66/08/06/960660806.db2.gz CVMWJCOULCTPAI-UHFFFAOYSA-N -1 0 349.159 3.770 20 0 EHADRM CC(C)Sc1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000236629653 960719278 /nfs/dbraw/zinc/71/92/78/960719278.db2.gz PAYYIXJKIZFZOC-AWEZNQCLSA-N -1 0 335.469 3.904 20 0 EHADRM CC(C)Sc1ccc(C(=O)NCCc2ccc(C(=O)[O-])cc2)cc1 ZINC000236630028 960719304 /nfs/dbraw/zinc/71/93/04/960719304.db2.gz GLTIKOVBGBYHLJ-UHFFFAOYSA-N -1 0 343.448 3.858 20 0 EHADRM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCCCCCC(=O)[O-] ZINC000236641803 960721010 /nfs/dbraw/zinc/72/10/10/960721010.db2.gz QRSCMTQDELDSSZ-HNNXBMFYSA-N -1 0 334.460 3.826 20 0 EHADRM CCCCOc1ccc(CCNC(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000236678593 960731061 /nfs/dbraw/zinc/73/10/61/960731061.db2.gz GTCXQBLWBFYFCQ-UHFFFAOYSA-N -1 0 347.436 3.598 20 0 EHADRM CC(C)c1cc(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)n(C)n1 ZINC000236693740 960733047 /nfs/dbraw/zinc/73/30/47/960733047.db2.gz AKQJKSYJUXSHCH-UHFFFAOYSA-N -1 0 343.408 3.709 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000236703377 960736014 /nfs/dbraw/zinc/73/60/14/960736014.db2.gz LYOJJLADXWKRDY-ROUUACIJSA-N -1 0 331.456 3.605 20 0 EHADRM CSC1CCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)CC1 ZINC001604956466 972529763 /nfs/dbraw/zinc/52/97/63/972529763.db2.gz VMNJISXZBKIYAE-UHFFFAOYSA-N -1 0 346.811 3.537 20 0 EHADRM CC(C)c1ccc(-c2nc(C(=O)NCCCCC(=O)[O-])cs2)cc1 ZINC000236786153 960758665 /nfs/dbraw/zinc/75/86/65/960758665.db2.gz AMXARBXFNKQGJB-UHFFFAOYSA-N -1 0 346.452 3.918 20 0 EHADRM CCC[C@@H](C)C(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000236844605 960772553 /nfs/dbraw/zinc/77/25/53/960772553.db2.gz BXXSGFIAEFTYOH-LLVKDONJSA-N -1 0 331.334 3.555 20 0 EHADRM Cc1cc(C(=O)NC2(CC(=O)[O-])CCCCC2)nn1C1CCCCC1 ZINC001574315813 960785113 /nfs/dbraw/zinc/78/51/13/960785113.db2.gz AYCFEOSPATUACC-UHFFFAOYSA-N -1 0 347.459 3.604 20 0 EHADRM CCCC[C@H](NC(=O)CC(C)(C)CC(=O)[O-])c1ccc(OC)cc1 ZINC000236868761 960785362 /nfs/dbraw/zinc/78/53/62/960785362.db2.gz MGVCJZLNXGYQNJ-INIZCTEOSA-N -1 0 335.444 3.934 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2ccc(-c3nccc(C)n3)cc2)c1 ZINC001574318092 960802103 /nfs/dbraw/zinc/80/21/03/960802103.db2.gz KSXXWNNIKZTBNW-UHFFFAOYSA-N -1 0 347.374 3.711 20 0 EHADRM CCCc1sc(C(=O)Nc2cccc(OCC(=O)[O-])c2)cc1CC ZINC000236954895 960810763 /nfs/dbraw/zinc/81/07/63/960810763.db2.gz ZZMUGRUSNSBQOL-UHFFFAOYSA-N -1 0 347.436 3.979 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)OCc2csc(C(F)(F)F)n2)c1 ZINC001574318846 960810637 /nfs/dbraw/zinc/81/06/37/960810637.db2.gz APZGFSNVHPTLEF-UHFFFAOYSA-N -1 0 345.298 3.526 20 0 EHADRM CCN(CC(=O)[O-])C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 ZINC000236965273 960816833 /nfs/dbraw/zinc/81/68/33/960816833.db2.gz ADAFEADDDCZEOM-CSKARUKUSA-N -1 0 333.384 3.501 20 0 EHADRM Cc1cc(C(=O)N(C)CCCC(=O)[O-])c(C)n1-c1cccc(Cl)c1 ZINC000237021381 960839949 /nfs/dbraw/zinc/83/99/49/960839949.db2.gz ZVRDGURGIDFBBQ-UHFFFAOYSA-N -1 0 348.830 3.684 20 0 EHADRM CCN(C(=O)c1cccc(C(=O)[O-])c1)[C@@H](C)c1cccc(OC)c1 ZINC000237028725 960841960 /nfs/dbraw/zinc/84/19/60/960841960.db2.gz BVPOXZMECYLMQD-ZDUSSCGKSA-N -1 0 327.380 3.617 20 0 EHADRM Cc1cc(C(=O)NCCCCC2(C(=O)[O-])CCC2)c(C)n1C1CC1 ZINC001262502133 960847618 /nfs/dbraw/zinc/84/76/18/960847618.db2.gz DXHKZSFSHOHIFV-UHFFFAOYSA-N -1 0 332.444 3.595 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000237047876 960854940 /nfs/dbraw/zinc/85/49/40/960854940.db2.gz QTIOWYFAUHJLMO-VXGBXAGGSA-N -1 0 345.361 3.596 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cc(F)c(F)cc1Cl ZINC000237055959 960857561 /nfs/dbraw/zinc/85/75/61/960857561.db2.gz ZITVGEHRJQZVJQ-UHFFFAOYSA-N -1 0 339.725 3.589 20 0 EHADRM CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000237113524 960873647 /nfs/dbraw/zinc/87/36/47/960873647.db2.gz VGBHKQHSEGDWKD-UHFFFAOYSA-N -1 0 337.297 3.676 20 0 EHADRM CCC(F)(F)c1ccccc1NC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001573809777 960877441 /nfs/dbraw/zinc/87/74/41/960877441.db2.gz UQFLEHFCVCRXIA-LLVKDONJSA-N -1 0 326.343 3.517 20 0 EHADRM Cc1cc(F)c(COC(=O)C2(C(=O)[O-])CCCCCC2)cc1F ZINC001574331020 960888338 /nfs/dbraw/zinc/88/83/38/960888338.db2.gz VEKRKHFHEVUFNS-UHFFFAOYSA-N -1 0 326.339 3.742 20 0 EHADRM CCn1cc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c(C(C)C)n1 ZINC000237238677 960895165 /nfs/dbraw/zinc/89/51/65/960895165.db2.gz ZATZRKIYHGKDMG-UHFFFAOYSA-N -1 0 335.791 3.630 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C1(c2ccc(F)cc2)CCC1 ZINC000237269684 960899643 /nfs/dbraw/zinc/89/96/43/960899643.db2.gz HVKJTLWULKWOCC-UHFFFAOYSA-N -1 0 341.382 3.604 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)CCCc2cccs2)cc1 ZINC001319217118 960923500 /nfs/dbraw/zinc/92/35/00/960923500.db2.gz GSVYGBSPHBXBTG-INIZCTEOSA-N -1 0 331.437 3.711 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)c2ccc(F)cc2n1 ZINC001319222384 960929771 /nfs/dbraw/zinc/92/97/71/960929771.db2.gz RYHZKQLENVSGPU-UHFFFAOYSA-N -1 0 338.338 3.941 20 0 EHADRM C[C@@H]1CCc2c(C(=O)N[C@H](CC(=O)[O-])c3cccs3)csc2C1 ZINC000237438370 960934285 /nfs/dbraw/zinc/93/42/85/960934285.db2.gz OCRAXJWCBNIJPG-ZWNOBZJWSA-N -1 0 349.477 3.880 20 0 EHADRM Cc1noc(C)c1[C@@H](C)C(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000237496254 960949050 /nfs/dbraw/zinc/94/90/50/960949050.db2.gz GLACOLKXNRDEKM-SNVBAGLBSA-N -1 0 338.363 3.885 20 0 EHADRM C[C@H](CN(C)C(=O)[C@H](Sc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000237563511 960962701 /nfs/dbraw/zinc/96/27/01/960962701.db2.gz RKKRGTXIIPQXEA-RHSMWYFYSA-N -1 0 343.448 3.699 20 0 EHADRM CCc1oc2ccccc2c1C(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC001321954697 961006485 /nfs/dbraw/zinc/00/64/85/961006485.db2.gz ZHCRHQTWVZTNPD-YJYMSZOUSA-N -1 0 329.396 3.759 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H](C)c2cccc(F)c2)cc1 ZINC001324011344 961021695 /nfs/dbraw/zinc/02/16/95/961021695.db2.gz MOLUJWPFWSUJAW-SUMWQHHRSA-N -1 0 329.371 3.570 20 0 EHADRM Cc1cc(C(=O)N[C@H]2CCC[C@@H]2C(=O)[O-])c(C)n1C1CCCCC1 ZINC000237774282 961022180 /nfs/dbraw/zinc/02/21/80/961022180.db2.gz NEMJFMXAGPKQKA-RDJZCZTQSA-N -1 0 332.444 3.593 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1ccc2c(c1)CCCC2 ZINC000237773583 961022235 /nfs/dbraw/zinc/02/22/35/961022235.db2.gz UQXYWKXIDKXTAA-UHFFFAOYSA-N -1 0 339.391 3.590 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)c(C)n1-c1nccs1 ZINC000237786027 961023520 /nfs/dbraw/zinc/02/35/20/961023520.db2.gz DOZHIHJISABWEW-UHFFFAOYSA-N -1 0 341.392 3.501 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2ccc(C(=O)[O-])cc2C)cc1C ZINC001324184337 961028239 /nfs/dbraw/zinc/02/82/39/961028239.db2.gz QRVNOCYWEPFOAF-UHFFFAOYSA-N -1 0 339.391 3.912 20 0 EHADRM Cc1ccc2c(CC(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)coc2c1 ZINC000237814312 961029357 /nfs/dbraw/zinc/02/93/57/961029357.db2.gz MPCHMIKRWHGFPY-JQFCIGGWSA-N -1 0 341.407 3.528 20 0 EHADRM Cc1nc(NC(=O)[C@H](C(=O)[O-])C(C)C)sc1Cc1ccc(C)cc1 ZINC001574367246 961047785 /nfs/dbraw/zinc/04/77/85/961047785.db2.gz CJXFFOCUXHNJGY-OAHLLOKOSA-N -1 0 346.452 3.646 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(C3SCCS3)c2)o1 ZINC001324968594 961049079 /nfs/dbraw/zinc/04/90/79/961049079.db2.gz VCMQBYFNTSTEPJ-UHFFFAOYSA-N -1 0 335.406 3.709 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cccc(OC3CCCC3)c2)C1 ZINC000237972392 961060266 /nfs/dbraw/zinc/06/02/66/961060266.db2.gz ZYEVPGQYYZTETL-HNNXBMFYSA-N -1 0 345.439 3.725 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2CCc2ccccc2)s1 ZINC000237979575 961063609 /nfs/dbraw/zinc/06/36/09/961063609.db2.gz YRHAOCKJHMTLKT-AWEZNQCLSA-N -1 0 329.421 3.684 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)s1 ZINC000238027130 961079897 /nfs/dbraw/zinc/07/98/97/961079897.db2.gz ONJLPXZXBPZBSW-UHFFFAOYSA-N -1 0 328.349 3.717 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)o1 ZINC000238027774 961080321 /nfs/dbraw/zinc/08/03/21/961080321.db2.gz LQSOFKRIXAIUFS-UHFFFAOYSA-N -1 0 347.330 3.773 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)o1 ZINC000238035103 961082322 /nfs/dbraw/zinc/08/23/22/961082322.db2.gz FKBVGGKSEWUBBD-OAHLLOKOSA-N -1 0 333.771 3.902 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2CCCC[C@@H]2Cc2ccccc2)o1 ZINC000238037051 961083409 /nfs/dbraw/zinc/08/34/09/961083409.db2.gz YRYHDNZNBVJBRO-CABCVRRESA-N -1 0 327.380 3.509 20 0 EHADRM CC(C)(C)c1ccc([C@@H](NC(=O)CCCC(=O)[O-])C(F)(F)F)cc1 ZINC001326392383 961088010 /nfs/dbraw/zinc/08/80/10/961088010.db2.gz XAQCQVIEAQSFQH-OAHLLOKOSA-N -1 0 345.361 3.959 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H]1NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000238104381 961098473 /nfs/dbraw/zinc/09/84/73/961098473.db2.gz CCIAFFODMLBIIC-HKUYNNGSSA-N -1 0 337.419 3.578 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCC[C@@H]2Cc2ccccc2Cl)c1 ZINC000238203584 961159653 /nfs/dbraw/zinc/15/96/53/961159653.db2.gz WZMDMBMMUDBHKM-MRXNPFEDSA-N -1 0 343.810 3.886 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)c1 ZINC000238226698 961165898 /nfs/dbraw/zinc/16/58/98/961165898.db2.gz JROUKFVOLMGHMT-UHFFFAOYSA-N -1 0 341.754 3.681 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2cncc(-c3ccccc3)c2)C(=O)[O-])c1 ZINC001574391157 961181048 /nfs/dbraw/zinc/18/10/48/961181048.db2.gz IXNLNDCEWPFUSP-LJQANCHMSA-N -1 0 346.386 3.613 20 0 EHADRM CCN(C(=O)CCCc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)[O-] ZINC001573871645 961208910 /nfs/dbraw/zinc/20/89/10/961208910.db2.gz HECHBQJOVSYZES-SNVBAGLBSA-N -1 0 332.227 3.638 20 0 EHADRM Cc1ccccc1-c1cc(NC(=O)Nc2cccc(C(=O)[O-])c2)n[nH]1 ZINC001574403921 961249762 /nfs/dbraw/zinc/24/97/62/961249762.db2.gz YXNHYYWQCSDSSC-UHFFFAOYSA-N -1 0 336.351 3.727 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c2ccccc21 ZINC000261596999 961382467 /nfs/dbraw/zinc/38/24/67/961382467.db2.gz AAGGETOJWXUXAM-NQBHXWOUSA-N -1 0 341.329 3.570 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccccc1 ZINC000261674515 961387622 /nfs/dbraw/zinc/38/76/22/961387622.db2.gz MBXADKKKSSOLGW-HPBDAGMYSA-N -1 0 329.440 3.578 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000261741478 961390179 /nfs/dbraw/zinc/39/01/79/961390179.db2.gz SWVAQXQRMOCRKN-KBPBESRZSA-N -1 0 343.345 3.712 20 0 EHADRM CC(C)C(=O)c1ccc(NC(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC001588801390 961423274 /nfs/dbraw/zinc/42/32/74/961423274.db2.gz AWEKNDHPTJSPOI-UHFFFAOYSA-N -1 0 340.379 3.545 20 0 EHADRM Cc1ccccc1C(C)(C)C(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000262134515 961489478 /nfs/dbraw/zinc/48/94/78/961489478.db2.gz HVYWMSDFSMUYIJ-UHFFFAOYSA-N -1 0 337.419 3.556 20 0 EHADRM CN(C(=O)[C@H]1CC[C@H]1C(=O)[O-])c1ccc(Oc2ccccc2)cc1 ZINC000262160261 961511644 /nfs/dbraw/zinc/51/16/44/961511644.db2.gz PUEPROBPVGNMOP-DLBZAZTESA-N -1 0 325.364 3.553 20 0 EHADRM C[C@H](CNC(=O)CCc1ccccc1C(=O)[O-])Sc1ccccc1 ZINC000262201538 961548841 /nfs/dbraw/zinc/54/88/41/961548841.db2.gz OPSWIAXIXIESMB-CQSZACIVSA-N -1 0 343.448 3.614 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000262210604 961556423 /nfs/dbraw/zinc/55/64/23/961556423.db2.gz PSIPUYHSBCNNHC-FQEVSTJZSA-N -1 0 349.430 3.996 20 0 EHADRM CCCOc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000262250573 961593243 /nfs/dbraw/zinc/59/32/43/961593243.db2.gz CLEPMVLRBUDLRL-KRWDZBQOSA-N -1 0 345.370 3.560 20 0 EHADRM CC(C)[C@@H](CNC(=O)N[C@H](CC1CCC1)c1ccccc1)C(=O)[O-] ZINC001588822980 961640908 /nfs/dbraw/zinc/64/09/08/961640908.db2.gz HGLIACCGUQPKSP-IAGOWNOFSA-N -1 0 332.444 3.574 20 0 EHADRM CCc1ccc([C@H](C)NC(=O)N2CCC[C@@](CC)(C(=O)[O-])C2)cc1 ZINC001573957002 961676186 /nfs/dbraw/zinc/67/61/86/961676186.db2.gz STBNOVDIVDMPJW-IFXJQAMLSA-N -1 0 332.444 3.596 20 0 EHADRM CCc1ccc(NC(=O)Nc2cccc(CC(=O)[O-])c2)cc1OC ZINC001573957040 961677674 /nfs/dbraw/zinc/67/76/74/961677674.db2.gz ULDKLSBMHZZEPR-UHFFFAOYSA-N -1 0 328.368 3.529 20 0 EHADRM CC(C)(C)c1ccc(SCC(=O)N2CCC(CC(=O)[O-])CC2)cc1 ZINC000262386419 961688195 /nfs/dbraw/zinc/68/81/95/961688195.db2.gz DURKZQHLWHCSOT-UHFFFAOYSA-N -1 0 349.496 3.790 20 0 EHADRM Cc1ccc(C(C)(C)C(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC000262408144 961701913 /nfs/dbraw/zinc/70/19/13/961701913.db2.gz OVSFRESALLYYKR-UHFFFAOYSA-N -1 0 325.408 3.929 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000262465569 961736074 /nfs/dbraw/zinc/73/60/74/961736074.db2.gz RIAISDBWYBMKFJ-OAHLLOKOSA-N -1 0 347.455 3.599 20 0 EHADRM CC(C)[C@H]1CCCCCN1C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001588842228 961814409 /nfs/dbraw/zinc/81/44/09/961814409.db2.gz WOIGWXVXDVWSOU-QKPAOTATSA-N -1 0 338.492 3.732 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N[C@H]2CCCC[C@@H]2Cc2ccccc2)CC1 ZINC000262724674 961829079 /nfs/dbraw/zinc/82/90/79/961829079.db2.gz RULFFACSNWFVJM-MKXGPGLRSA-N -1 0 343.467 3.795 20 0 EHADRM CC(C)[C@@H]1N(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC12CC=CC2 ZINC001588843031 961833962 /nfs/dbraw/zinc/83/39/62/961833962.db2.gz WOXOCBYTBHLIAT-QXSJWSMHSA-N -1 0 348.487 3.508 20 0 EHADRM O=C([O-])CC1CC(Nc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC001334801159 961835545 /nfs/dbraw/zinc/83/55/45/961835545.db2.gz XAJWUPXBEDJLBR-UXUKBGGZSA-N -1 0 339.819 3.563 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C2CC2)o1 ZINC000262738720 961838353 /nfs/dbraw/zinc/83/83/53/961838353.db2.gz VXHKUKXJZFXOAH-VMUDFCTBSA-N -1 0 345.439 3.785 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000262759343 961853232 /nfs/dbraw/zinc/85/32/32/961853232.db2.gz KIVUSKFGOARZIK-DYVFJYSZSA-N -1 0 345.826 3.503 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)CCc1ccc(-c2ccccc2)[nH]1 ZINC001574526201 961883023 /nfs/dbraw/zinc/88/30/23/961883023.db2.gz YNLQXAIPIZBTNL-UHFFFAOYSA-N -1 0 348.402 3.629 20 0 EHADRM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C1 ZINC000262827726 961894606 /nfs/dbraw/zinc/89/46/06/961894606.db2.gz QSWACRQFGIFCGJ-WBOJAVRRSA-N -1 0 333.403 3.626 20 0 EHADRM Cc1cccc2c(CCC(=O)N[C@]3(C)CCCC[C@H]3C(=O)[O-])c[nH]c21 ZINC000262845262 961912233 /nfs/dbraw/zinc/91/22/33/961912233.db2.gz SPMJKWHURMGFEO-OXJNMPFZSA-N -1 0 342.439 3.559 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)Cc2c(F)cccc2F)c1Cl ZINC001574535205 961920184 /nfs/dbraw/zinc/92/01/84/961920184.db2.gz ZXCTUNSKHGQQRM-UHFFFAOYSA-N -1 0 343.688 3.637 20 0 EHADRM COc1cc(NC(=O)[C@H](C)CCc2ccccc2F)ccc1C(=O)[O-] ZINC000262867398 961936318 /nfs/dbraw/zinc/93/63/18/961936318.db2.gz FTRGJCMNYVYZCS-GFCCVEGCSA-N -1 0 345.370 3.740 20 0 EHADRM CC(C)C[C@@H](CNC(=O)NCc1ccc(C2CCC2)cc1)C(=O)[O-] ZINC001588852531 961943616 /nfs/dbraw/zinc/94/36/16/961943616.db2.gz WXLOWSOCSGTZTP-KRWDZBQOSA-N -1 0 332.444 3.500 20 0 EHADRM CC(C)(CCNC(=O)CSc1ccc2ccccc2c1)C(=O)[O-] ZINC000262910708 961990898 /nfs/dbraw/zinc/99/08/98/961990898.db2.gz FIYZSGFULYYCHY-UHFFFAOYSA-N -1 0 331.437 3.549 20 0 EHADRM CC(C)CCC[C@H](C)NC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001588867470 962023947 /nfs/dbraw/zinc/02/39/47/962023947.db2.gz LJCYQBLGFFOXBU-KXBFYZLASA-N -1 0 334.460 3.543 20 0 EHADRM C[C@@H](CCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])c1ccccc1 ZINC000262941897 962027196 /nfs/dbraw/zinc/02/71/96/962027196.db2.gz CJCALUGEDQOFLM-KXBFYZLASA-N -1 0 337.419 3.608 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)c1Cl ZINC001574567500 962042980 /nfs/dbraw/zinc/04/29/80/962042980.db2.gz HZRPLWBYFMRNHA-UTLUCORTSA-N -1 0 340.782 3.735 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC000262974169 962061249 /nfs/dbraw/zinc/06/12/49/962061249.db2.gz MBGGMZPLFMHWSC-GFCCVEGCSA-N -1 0 345.370 3.730 20 0 EHADRM O=C([O-])[C@H](CC(F)F)NC(=O)CC1CCC(c2ccccc2)CC1 ZINC000262976937 962065406 /nfs/dbraw/zinc/06/54/06/962065406.db2.gz KJSBRNGZLVBOGJ-ZALBZXLWSA-N -1 0 339.382 3.575 20 0 EHADRM O=C([O-])CC1(NC(=O)C[C@H](c2ccccc2)C(F)(F)F)CCCC1 ZINC000262995228 962088629 /nfs/dbraw/zinc/08/86/29/962088629.db2.gz VTNIGXWJATVHGI-CYBMUJFWSA-N -1 0 343.345 3.626 20 0 EHADRM CC(C)[C@H](CNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)Cc1ccccc1 ZINC000263008619 962107195 /nfs/dbraw/zinc/10/71/95/962107195.db2.gz PLGJOEOKLWTARW-BZSNNMDCSA-N -1 0 331.456 3.509 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2cnn(C3CCCCC3)c2)c1 ZINC001340583301 962109538 /nfs/dbraw/zinc/10/95/38/962109538.db2.gz PDROFFHSXLFKNY-UHFFFAOYSA-N -1 0 347.802 3.992 20 0 EHADRM CC(C)COc1ccc(NC(=O)[C@H](C(=O)[O-])C(C)C)cc1Cl ZINC001588877619 962133220 /nfs/dbraw/zinc/13/32/20/962133220.db2.gz HNQDGDSUSDZDOQ-CQSZACIVSA-N -1 0 327.808 3.670 20 0 EHADRM CC(C)(C)SCC(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC000263026712 962136798 /nfs/dbraw/zinc/13/67/98/962136798.db2.gz OEWULDSCQXXXCT-UHFFFAOYSA-N -1 0 349.496 3.698 20 0 EHADRM COCc1cc(NC(=O)C[C@@H](C)c2ccccc2)cc(C(=O)[O-])c1 ZINC000263026003 962137190 /nfs/dbraw/zinc/13/71/90/962137190.db2.gz BJCGSQSYTLRFGI-CYBMUJFWSA-N -1 0 327.380 3.664 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C2CCCCCCC2)C[C@H]1c1ccccc1 ZINC000263033556 962150278 /nfs/dbraw/zinc/15/02/78/962150278.db2.gz ZAUTVGUWQDXCMH-ZWKOTPCHSA-N -1 0 329.440 3.674 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(CCC(F)(F)F)cc2)[C@@H](C(=O)[O-])C1 ZINC000263032969 962150353 /nfs/dbraw/zinc/15/03/53/962150353.db2.gz OQLZSWFSWSNXIU-SMDDNHRTSA-N -1 0 343.345 3.507 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)c2cccc(F)c2F)c1Cl ZINC001574600229 962161144 /nfs/dbraw/zinc/16/11/44/962161144.db2.gz VWJCLVLGOPNWOL-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM CC(C)C[C@H](CNC(=O)CCc1ccc(Cl)c(F)c1)CC(=O)[O-] ZINC001588887880 962191494 /nfs/dbraw/zinc/19/14/94/962191494.db2.gz ASFCKTIVXDXOAI-ZDUSSCGKSA-N -1 0 343.826 3.665 20 0 EHADRM O=C([O-])c1c(NC(=O)c2cccc(C3CCC3)c2)nc2ccccn21 ZINC001574609544 962202855 /nfs/dbraw/zinc/20/28/55/962202855.db2.gz XAOQCANRBLBBRA-UHFFFAOYSA-N -1 0 335.363 3.552 20 0 EHADRM C[C@@H]1CC/C(=C\C(=O)N2CCCC[C@@H]2c2ccc(C(=O)[O-])n2C)C1 ZINC001344592533 962214941 /nfs/dbraw/zinc/21/49/41/962214941.db2.gz ODPOXSAPBHNTBY-UVWJIMLCSA-N -1 0 330.428 3.523 20 0 EHADRM CC(C)C[C@H](CNC(=O)N[C@@H]1CCC[C@@H]1C(C)(C)C)CC(=O)[O-] ZINC001588893069 962216729 /nfs/dbraw/zinc/21/67/29/962216729.db2.gz SKPQEMJOAGQISK-SOUVJXGZSA-N -1 0 326.481 3.637 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)CC(c1ccccc1)c1ccccc1 ZINC000263079539 962223949 /nfs/dbraw/zinc/22/39/49/962223949.db2.gz PQWNIQJMBLADQM-CRAIPNDOSA-N -1 0 337.419 3.530 20 0 EHADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)CC(c1ccccc1)c1ccccc1 ZINC000263079546 962224168 /nfs/dbraw/zinc/22/41/68/962224168.db2.gz PQWNIQJMBLADQM-YJBOKZPZSA-N -1 0 337.419 3.530 20 0 EHADRM O=C([O-])C1(C(=O)N2CCC(c3ccccc3F)CC2)CCCCC1 ZINC001574625038 962266552 /nfs/dbraw/zinc/26/65/52/962266552.db2.gz KUTSLCZXUOIDRD-UHFFFAOYSA-N -1 0 333.403 3.567 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1 ZINC001588906118 962275172 /nfs/dbraw/zinc/27/51/72/962275172.db2.gz KRNCOJWEAHQBHN-ZOCIIQOWSA-N -1 0 343.467 3.558 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)C2(c3ccccc3F)CCCC2)s1 ZINC000263143051 962296028 /nfs/dbraw/zinc/29/60/28/962296028.db2.gz GVNMIHKISNVWLS-UHFFFAOYSA-N -1 0 347.411 3.714 20 0 EHADRM Cc1cc2scc(CC(=O)N[C@@H]3CCC[C@H]3CC(=O)[O-])c2s1 ZINC001345798153 962307812 /nfs/dbraw/zinc/30/78/12/962307812.db2.gz TWHIOJPVRKREHD-CMPLNLGQSA-N -1 0 337.466 3.573 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC000263156860 962307942 /nfs/dbraw/zinc/30/79/42/962307942.db2.gz ZLVWYFKXYOLOLR-DZGCQCFKSA-N -1 0 343.448 3.906 20 0 EHADRM CC(C)Cn1ccc2c1cccc2C(=O)N1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC001588911652 962318944 /nfs/dbraw/zinc/31/89/44/962318944.db2.gz LHEUUVNGLFRTIM-RDTXWAMCSA-N -1 0 342.439 3.623 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2ccnc(Oc3ccccc3)c2)CC=CCC1 ZINC001574641435 962357561 /nfs/dbraw/zinc/35/75/61/962357561.db2.gz VWMIDAALPCHRHC-IBGZPJMESA-N -1 0 338.363 3.624 20 0 EHADRM COc1ccc2cc(C(=O)Nc3cc(C(=O)[O-])ccc3F)ccc2c1 ZINC001346522164 962375868 /nfs/dbraw/zinc/37/58/68/962375868.db2.gz NLRNZKTURXEWIU-UHFFFAOYSA-N -1 0 339.322 3.938 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3CC[C@H](C(=O)[O-])[C@@H]3C)c(F)c2)cc1 ZINC000263228348 962379371 /nfs/dbraw/zinc/37/93/71/962379371.db2.gz RTMJRXDOCKEYIJ-BBRMVZONSA-N -1 0 341.382 3.736 20 0 EHADRM CC1(C)[C@H](c2ccccc2)CCN1C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000263238187 962384363 /nfs/dbraw/zinc/38/43/63/962384363.db2.gz RHUAMTRGGHJPEV-BBWFWOEESA-N -1 0 329.440 3.672 20 0 EHADRM CC(C)Oc1c(NC(=O)[C@H](C)CC(F)(F)F)cccc1C(=O)[O-] ZINC001347574715 962404774 /nfs/dbraw/zinc/40/47/74/962404774.db2.gz JODDPEVKVDXFBD-SECBINFHSA-N -1 0 333.306 3.699 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cccc(C3SCCS3)c2)C1 ZINC000263289760 962429812 /nfs/dbraw/zinc/42/98/12/962429812.db2.gz LVWZTENLJNNTPR-WDEREUQCSA-N -1 0 337.466 3.605 20 0 EHADRM O=C([O-])[C@H](c1ccsc1)N1CCO[C@H](c2ccc(Cl)s2)C1 ZINC001349590887 962476433 /nfs/dbraw/zinc/47/64/33/962476433.db2.gz CJDJQDNOHJEKQV-GWCFXTLKSA-N -1 0 343.857 3.662 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)co1 ZINC001574666512 962517411 /nfs/dbraw/zinc/51/74/11/962517411.db2.gz BUHICPFQIGPRAL-AATRIKPKSA-N -1 0 325.242 3.649 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)NCC3(C(=O)[O-])CC3)c(F)c2)cc1C ZINC000263417782 962587722 /nfs/dbraw/zinc/58/77/22/962587722.db2.gz IDBLVEQVFTVYKK-UHFFFAOYSA-N -1 0 341.382 3.704 20 0 EHADRM O=C([O-])CC[C@H](CC1CCCCC1)NC(=O)c1ccc2c(c1)COC2 ZINC000263419825 962590611 /nfs/dbraw/zinc/59/06/11/962590611.db2.gz PAKJHICGYYZIPI-GOSISDBHSA-N -1 0 345.439 3.650 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CCC[C@H]1c1cccc(C)c1 ZINC000263428994 962604016 /nfs/dbraw/zinc/60/40/16/962604016.db2.gz MUNSYNZSIKCMHG-HNNXBMFYSA-N -1 0 327.380 3.501 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)Nc1cccc(OC2CCCC2)c1 ZINC000263474732 962659783 /nfs/dbraw/zinc/65/97/83/962659783.db2.gz YXVUJLDWQYEZFI-UHFFFAOYSA-N -1 0 343.379 3.789 20 0 EHADRM CC(C)c1ccc(OCCNC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC001588968948 962660942 /nfs/dbraw/zinc/66/09/42/962660942.db2.gz VUYPGDOQDUSAFR-UHFFFAOYSA-N -1 0 342.395 3.709 20 0 EHADRM CC(C)c1ccc2c(c1)CN(C(=O)[C@@]1(C(=O)[O-])CC=CCC1)CC2 ZINC001588969598 962664633 /nfs/dbraw/zinc/66/46/33/962664633.db2.gz KVAGJTGWGBDFEI-HXUWFJFHSA-N -1 0 327.424 3.506 20 0 EHADRM Cc1oc(-c2ccccc2)c(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c1C ZINC000263522478 962702909 /nfs/dbraw/zinc/70/29/09/962702909.db2.gz HWZHEMRIMDVXFV-CABCVRRESA-N -1 0 327.380 3.547 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000263520954 962702985 /nfs/dbraw/zinc/70/29/85/962702985.db2.gz HFNXFGLAAGVCJB-MRVPVSSYSA-N -1 0 337.725 3.684 20 0 EHADRM CCOc1ccccc1[C@@H](CC)NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000263521999 962703489 /nfs/dbraw/zinc/70/34/89/962703489.db2.gz HQMXIYGOMSUVHN-QGZVFWFLSA-N -1 0 341.407 3.594 20 0 EHADRM Cc1cccc(Oc2ccccc2C(=O)NCC(C)(C)C(=O)[O-])c1 ZINC000263535373 962714665 /nfs/dbraw/zinc/71/46/65/962714665.db2.gz OIRUNIZEKMEHRG-UHFFFAOYSA-N -1 0 327.380 3.628 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000263542337 962718743 /nfs/dbraw/zinc/71/87/43/962718743.db2.gz ROUMEROXAJXMPA-ZCNNSNEGSA-N -1 0 349.430 3.722 20 0 EHADRM O=C([O-])c1coc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)c1 ZINC000263542282 962719608 /nfs/dbraw/zinc/71/96/08/962719608.db2.gz RMRIRRZWIRYIJU-UHFFFAOYSA-N -1 0 333.771 3.651 20 0 EHADRM CCOc1ccccc1[C@@H](CC)NC(=O)Cc1ccccc1C(=O)[O-] ZINC000263554602 962725648 /nfs/dbraw/zinc/72/56/48/962725648.db2.gz YDUAFCAEHIWBQH-QGZVFWFLSA-N -1 0 341.407 3.594 20 0 EHADRM CC[C@@H]1Cc2ccccc2CN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000263564403 962733086 /nfs/dbraw/zinc/73/30/86/962733086.db2.gz DYIFRWXBXBDSHZ-GOSISDBHSA-N -1 0 337.419 3.681 20 0 EHADRM COc1ccccc1[C@@H](CC(C)C)NC(=O)c1cc(C(=O)[O-])co1 ZINC000263575194 962740281 /nfs/dbraw/zinc/74/02/81/962740281.db2.gz OQODKLMQJCEECM-CQSZACIVSA-N -1 0 331.368 3.504 20 0 EHADRM CC(C)Oc1ccc(N(C)C(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC000263577989 962742681 /nfs/dbraw/zinc/74/26/81/962742681.db2.gz SDMJVBKKNPREBX-UHFFFAOYSA-N -1 0 341.407 3.768 20 0 EHADRM CC(C)n1cc2cc(NC(=O)c3coc(/C=C\C(=O)[O-])c3)ccc2n1 ZINC001588982796 962746495 /nfs/dbraw/zinc/74/64/95/962746495.db2.gz VJLXNMOGJJDPPL-XQRVVYSFSA-N -1 0 339.351 3.560 20 0 EHADRM CC(C)(C)c1ncc(/C=C/C(=O)Nc2ccc(CC(=O)[O-])cc2)s1 ZINC000273181359 962789179 /nfs/dbraw/zinc/78/91/79/962789179.db2.gz JHQYVPRVKNKOHP-CMDGGOBGSA-N -1 0 344.436 3.720 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1cc[nH]c1C(C)C ZINC001520123559 962808700 /nfs/dbraw/zinc/80/87/00/962808700.db2.gz KLZUARZKIAMXIY-UHFFFAOYSA-N -1 0 330.384 3.876 20 0 EHADRM Cc1coc(C)c1C(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)c2ccccc21 ZINC001520204648 962851201 /nfs/dbraw/zinc/85/12/01/962851201.db2.gz CEXSGWVCJXXOIK-WLRWDXFRSA-N -1 0 327.380 3.504 20 0 EHADRM CC(C)c1ccc2ncnc(N3CC[C@@]4(C(=O)[O-])CCC[C@@H]34)c2c1 ZINC001550714168 963012292 /nfs/dbraw/zinc/01/22/92/963012292.db2.gz IRKRHKJFVQXTLH-APWZRJJASA-N -1 0 325.412 3.587 20 0 EHADRM O=C([O-])CCCCOc1cc(F)c(Br)cc1Cl ZINC000304251327 963133092 /nfs/dbraw/zinc/13/30/92/963133092.db2.gz AFNATSOIGCRTHG-UHFFFAOYSA-N -1 0 325.561 3.875 20 0 EHADRM O=C([O-])c1ccc(OC[C@H]2CCC(F)(F)C2)c(Br)c1 ZINC000305999255 963173999 /nfs/dbraw/zinc/17/39/99/963173999.db2.gz NEWSSPMUOBYEJL-QMMMGPOBSA-N -1 0 335.144 3.962 20 0 EHADRM O=C([O-])CCCOc1ccc(Br)c(C(F)(F)F)c1 ZINC000307922197 963239645 /nfs/dbraw/zinc/23/96/45/963239645.db2.gz HTXSVPCXMFPYFE-UHFFFAOYSA-N -1 0 327.096 3.712 20 0 EHADRM C[C@@H](NCc1cc(Br)cs1)c1ncc(C(=O)[O-])s1 ZINC000314677133 963789439 /nfs/dbraw/zinc/78/94/39/963789439.db2.gz QTIONTQDJDCJLL-ZCFIWIBFSA-N -1 0 347.259 3.516 20 0 EHADRM COc1cc(OC)c(N[C@@H](C)c2ncc(C(=O)[O-])s2)cc1Cl ZINC000314935134 963831951 /nfs/dbraw/zinc/83/19/51/963831951.db2.gz JMGCKPPQTSBNEV-ZETCQYMHSA-N -1 0 342.804 3.685 20 0 EHADRM C[C@H](NC(=O)NCCCCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000314944123 963833177 /nfs/dbraw/zinc/83/31/77/963833177.db2.gz KNABMEIYFKFPQP-LBPRGKRZSA-N -1 0 326.824 3.735 20 0 EHADRM O=C([O-])c1ccc(F)c(COc2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000315561448 963914870 /nfs/dbraw/zinc/91/48/70/963914870.db2.gz MKMDHGLOXSNZDQ-UHFFFAOYSA-N -1 0 325.679 3.665 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1sc2cc(F)ccc2c1Cl ZINC000316035313 963968755 /nfs/dbraw/zinc/96/87/55/963968755.db2.gz CYDYQZAFXJCUAK-SCZZXKLOSA-N -1 0 341.791 3.677 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC000157806700 967649790 /nfs/dbraw/zinc/64/97/90/967649790.db2.gz IEBVZHQRKGVRTR-UHFFFAOYSA-N -1 0 348.196 3.719 20 0 EHADRM CN(CCC(=O)[O-])C(=O)c1ccc(CSc2ccccc2)cc1 ZINC000237235181 967782728 /nfs/dbraw/zinc/78/27/28/967782728.db2.gz KHNJTXFUQYUIAB-UHFFFAOYSA-N -1 0 329.421 3.526 20 0 EHADRM Cc1ccc(-c2cccc(CNC(=O)N(C)C[C@H](C)C(=O)[O-])c2)cc1 ZINC000263247121 967864698 /nfs/dbraw/zinc/86/46/98/967864698.db2.gz OKYXFQRZETZZGQ-HNNXBMFYSA-N -1 0 340.423 3.524 20 0 EHADRM CC[C@H](NC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1)c1ccc(Cl)s1 ZINC000263327077 967871673 /nfs/dbraw/zinc/87/16/73/967871673.db2.gz KTUIMMPKPOZKNT-DCAQKATOSA-N -1 0 344.864 3.605 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@]1(C)C(=O)[O-])c1ccccc1C(F)(F)F ZINC000263418363 967890706 /nfs/dbraw/zinc/89/07/06/967890706.db2.gz IIOUPAKTIMRSFW-BDJLRTHQSA-N -1 0 343.345 3.665 20 0 EHADRM C[C@@H](CC(=O)N1CCC[C@@]1(C)C(=O)[O-])c1ccccc1C(F)(F)F ZINC000263418366 967891066 /nfs/dbraw/zinc/89/10/66/967891066.db2.gz IIOUPAKTIMRSFW-ZBEGNZNMSA-N -1 0 343.345 3.665 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000315660708 967974441 /nfs/dbraw/zinc/97/44/41/967974441.db2.gz UWWKVZIVJDLZFQ-NEPJUHHUSA-N -1 0 341.860 3.534 20 0 EHADRM CCC(CC)(CNC(=O)N[C@@H](C)c1cc(C)sc1C)C(=O)[O-] ZINC000316816159 967981785 /nfs/dbraw/zinc/98/17/85/967981785.db2.gz JDKKSWSFFFUFTF-NSHDSACASA-N -1 0 326.462 3.616 20 0 EHADRM Cc1ccc(SCCC(=O)N2CCCC[C@H]2CC(=O)[O-])cc1C ZINC000321127494 968012477 /nfs/dbraw/zinc/01/24/77/968012477.db2.gz FFCGPEZBGATFKA-HNNXBMFYSA-N -1 0 335.469 3.641 20 0 EHADRM C[C@H](CCNC(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1ccccc1 ZINC000392229534 968198434 /nfs/dbraw/zinc/19/84/34/968198434.db2.gz VVUAWMKDHPWBSG-NVXWUHKLSA-N -1 0 332.444 3.609 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1cccc(Cl)c1Cl ZINC000397078426 968244104 /nfs/dbraw/zinc/24/41/04/968244104.db2.gz PLKDJIMJDWUIJG-BDAKNGLRSA-N -1 0 331.199 3.710 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCc1ccc(-c2ccccc2)o1 ZINC000422580328 968348282 /nfs/dbraw/zinc/34/82/82/968348282.db2.gz KLDDLIPCPLXWMR-GOEBONIOSA-N -1 0 341.407 3.591 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1cc(F)ccc1Oc1ccccc1 ZINC000507401911 968387929 /nfs/dbraw/zinc/38/79/29/968387929.db2.gz KBVFDYNMVUVZAA-UONOGXRCSA-N -1 0 329.327 3.667 20 0 EHADRM COc1cccc(Oc2ccc(NC(=O)C3(C(=O)[O-])CCC3)cc2)c1 ZINC000521203070 968393548 /nfs/dbraw/zinc/39/35/48/968393548.db2.gz AYKNAIYNCKKSJV-UHFFFAOYSA-N -1 0 341.363 3.681 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000564925559 968421975 /nfs/dbraw/zinc/42/19/75/968421975.db2.gz SYZXKJWPZMQKHS-CORIIIEPSA-N -1 0 344.411 3.554 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cccc(OC3CCCC3)c2)CC[C@@H]1C(=O)[O-] ZINC000630556881 968535843 /nfs/dbraw/zinc/53/58/43/968535843.db2.gz LXZCEVQSQQGLKJ-DYVFJYSZSA-N -1 0 346.427 3.583 20 0 EHADRM CSc1ccc(NC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1Cl ZINC000630561341 968536686 /nfs/dbraw/zinc/53/66/86/968536686.db2.gz FUBZGRLARRUCMV-KOLCDFICSA-N -1 0 342.848 3.636 20 0 EHADRM C[C@H](C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)c1c(Cl)cccc1Cl ZINC000647755631 968581476 /nfs/dbraw/zinc/58/14/76/968581476.db2.gz VXCIYQFVEGFFEV-OUAUKWLOSA-N -1 0 344.238 3.666 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@H](C)c1cccc(Cl)c1)CC(=O)[O-] ZINC000652088188 968614162 /nfs/dbraw/zinc/61/41/62/968614162.db2.gz FBTZOJVUEDNXFV-OLZOCXBDSA-N -1 0 325.836 3.697 20 0 EHADRM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000655567392 968682463 /nfs/dbraw/zinc/68/24/63/968682463.db2.gz NMJZNMFYMGJNNQ-GDBMZVCRSA-N -1 0 334.460 3.538 20 0 EHADRM C[C@@H](NC(=O)C1(c2ccc(Cl)cc2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655586206 968688915 /nfs/dbraw/zinc/68/89/15/968688915.db2.gz NNUZYTQXJZOWHB-BYCMXARLSA-N -1 0 349.858 3.623 20 0 EHADRM CC(C)[C@H](CNC(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000659766226 968747095 /nfs/dbraw/zinc/74/70/95/968747095.db2.gz JUHAPWZNGOYTSP-NSHDSACASA-N -1 0 325.817 3.641 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc(Cl)cc3ccccc32)C1 ZINC000659764660 968747537 /nfs/dbraw/zinc/74/75/37/968747537.db2.gz MPZWECWSKWMYOO-AAEUAGOBSA-N -1 0 331.799 3.676 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000663030813 968763012 /nfs/dbraw/zinc/76/30/12/968763012.db2.gz YKONPXIWEAVOAV-QGZVFWFLSA-N -1 0 342.439 3.621 20 0 EHADRM Cc1cc2scc(CC(=O)N3CCC[C@H](CC(=O)[O-])C3)c2s1 ZINC000901451565 969430564 /nfs/dbraw/zinc/43/05/64/969430564.db2.gz CJHLUBZOPCQVJC-LLVKDONJSA-N -1 0 337.466 3.527 20 0 EHADRM CC[C@H]1c2ccsc2CCN1C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC000901858446 969483890 /nfs/dbraw/zinc/48/38/90/969483890.db2.gz OOCRYYHDVVXOEW-NQHOJNORSA-N -1 0 331.393 3.589 20 0 EHADRM CCn1nc(C)c([N-]S(=O)(=O)c2ccccc2C(C)(C)C)c1C ZINC000460839951 1032076658 /nfs/dbraw/zinc/07/66/58/1032076658.db2.gz YKEOHQMCPCCEEW-UHFFFAOYSA-N -1 0 335.473 3.618 20 0 EHADRM C[N@H+](CCC1(C(=O)[O-])CCC1)Cc1ccc(F)cc1Br ZINC000903701221 969592467 /nfs/dbraw/zinc/59/24/67/969592467.db2.gz MUDHZMGPSDDMKY-UHFFFAOYSA-N -1 0 344.224 3.665 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)C(F)(F)c2ccc(Cl)cc2)CC1 ZINC001350404703 969770353 /nfs/dbraw/zinc/77/03/53/969770353.db2.gz CHXSBRRDHNCIAG-UHFFFAOYSA-N -1 0 345.773 3.535 20 0 EHADRM Cc1cccc([C@@H](NC(=O)CCSc2ccccc2F)C(=O)[O-])c1 ZINC001594393319 970218366 /nfs/dbraw/zinc/21/83/66/970218366.db2.gz RTKKYAUCPYTCCF-QGZVFWFLSA-N -1 0 347.411 3.558 20 0 EHADRM CCc1sc(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)cc1C ZINC000317241496 970340247 /nfs/dbraw/zinc/34/02/47/970340247.db2.gz JYPYPTWEVKJKTB-UHFFFAOYSA-N -1 0 325.336 3.848 20 0 EHADRM CCCC[C@H](CC)CNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000318019157 970403911 /nfs/dbraw/zinc/40/39/11/970403911.db2.gz XXUUMMURTCVGFV-NSHDSACASA-N -1 0 347.864 3.533 20 0 EHADRM C[C@H](C(=O)[O-])c1noc(-c2ccc3nc(-c4ccccc4)oc3c2)n1 ZINC001609717924 970494295 /nfs/dbraw/zinc/49/42/95/970494295.db2.gz GKHOKMZDCGPCMR-JTQLQIEISA-N -1 0 335.319 3.733 20 0 EHADRM O=C([O-])c1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c[nH]1 ZINC000319512790 970543761 /nfs/dbraw/zinc/54/37/61/970543761.db2.gz ZSIHBBGBHSOFBJ-UHFFFAOYSA-N -1 0 332.665 3.637 20 0 EHADRM C[C@@H](CC(=O)Nc1cccc(CCC(=O)[O-])c1)C(=O)c1ccccc1 ZINC001609865061 970556886 /nfs/dbraw/zinc/55/68/86/970556886.db2.gz MCUUTHQLJOCSRQ-AWEZNQCLSA-N -1 0 339.391 3.551 20 0 EHADRM Cc1ccccc1N(CCC(=O)[O-])C(=O)c1cc(Cl)ccc1F ZINC000319645680 970557229 /nfs/dbraw/zinc/55/72/29/970557229.db2.gz CWIMJWYCMBJTKA-UHFFFAOYSA-N -1 0 335.762 3.909 20 0 EHADRM Cc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(C(=O)[O-])c1 ZINC000319861043 970581627 /nfs/dbraw/zinc/58/16/27/970581627.db2.gz RQBDVHQXRLGEIM-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM Cc1oc(-c2cccs2)nc1COc1ccc(CC(=O)[O-])cc1 ZINC000319931261 970590998 /nfs/dbraw/zinc/59/09/98/970590998.db2.gz AOOLRQIXNLRGGB-UHFFFAOYSA-N -1 0 329.377 3.918 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000320011089 970601727 /nfs/dbraw/zinc/60/17/27/970601727.db2.gz NLCWFYJLEKGAPG-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM O=C([O-])c1c(NC(=O)c2cc(F)ccc2Cl)sc2c1CCC2 ZINC000320150408 970621927 /nfs/dbraw/zinc/62/19/27/970621927.db2.gz PMYFBJZBJPVNSX-UHFFFAOYSA-N -1 0 339.775 3.980 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)Cc2c[nH]c3ccccc23)c1 ZINC000320638609 970689358 /nfs/dbraw/zinc/68/93/58/970689358.db2.gz HPARVVDBBSDJDS-UHFFFAOYSA-N -1 0 328.755 3.701 20 0 EHADRM O=C([O-])[C@]1(C(F)(F)F)CC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000320690421 970699882 /nfs/dbraw/zinc/69/98/82/970699882.db2.gz DOVCOAPVBDQAOM-LBPRGKRZSA-N -1 0 341.251 3.544 20 0 EHADRM Cc1cccc(Cl)c1NC(=O)NCCc1ccccc1C(=O)[O-] ZINC000320876221 970725572 /nfs/dbraw/zinc/72/55/72/970725572.db2.gz GMHSSEGMKNDGLB-UHFFFAOYSA-N -1 0 332.787 3.711 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@H]2C[C@H]2c2ccccc2)ccc1Cl ZINC000320903485 970728248 /nfs/dbraw/zinc/72/82/48/970728248.db2.gz UNSIPMMGFKIDKR-WFASDCNBSA-N -1 0 330.771 3.716 20 0 EHADRM O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)nc1 ZINC000320930872 970729211 /nfs/dbraw/zinc/72/92/11/970729211.db2.gz IPWQOLVKPYXEOV-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM CSc1cccc(N(C)C(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC001604971705 972563915 /nfs/dbraw/zinc/56/39/15/972563915.db2.gz KIIGACBETNEXFS-UHFFFAOYSA-N -1 0 330.409 3.704 20 0 EHADRM CC(C)c1ccc(NC(=O)CSc2nc(C(=O)[O-])cs2)cc1 ZINC000393504881 972604713 /nfs/dbraw/zinc/60/47/13/972604713.db2.gz MKYATBYTIIHCJH-UHFFFAOYSA-N -1 0 336.438 3.696 20 0 EHADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC001605021202 972628809 /nfs/dbraw/zinc/62/88/09/972628809.db2.gz UANXVUUUESRLJE-YMXNGHFFSA-N -1 0 335.831 3.593 20 0 EHADRM C[C@H](NC(=O)[C@@]1(C(=O)[O-])CC=CCC1)c1ccc2c(c1)CCCC2 ZINC001605041018 972650922 /nfs/dbraw/zinc/65/09/22/972650922.db2.gz IKWHNSOSVVPAIT-VBKZILBWSA-N -1 0 327.424 3.554 20 0 EHADRM CC1(C)C[C@]1(CNC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C)c1ccccc1 ZINC001603323550 972658453 /nfs/dbraw/zinc/65/84/53/972658453.db2.gz BLMMZVDIMNITDX-FQEVSTJZSA-N -1 0 343.467 3.608 20 0 EHADRM C[C@H](OC(=O)C1(C(=O)[O-])CCSCC1)c1ccc(Cl)cc1 ZINC001605053910 972671296 /nfs/dbraw/zinc/67/12/96/972671296.db2.gz LHDIZKYVHMTNSJ-JTQLQIEISA-N -1 0 328.817 3.542 20 0 EHADRM CC1(C)CC[C@H](NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)c2ccccc21 ZINC001603327863 972676615 /nfs/dbraw/zinc/67/66/15/972676615.db2.gz POWVTHJFKFFISU-YOEHRIQHSA-N -1 0 344.455 3.695 20 0 EHADRM CC1(C)CCCc2sc(NC(=O)[C@@H](C(=O)[O-])C3CCCC3)nc21 ZINC001603329114 972688340 /nfs/dbraw/zinc/68/83/40/972688340.db2.gz ZAWWYTCFPPQVQF-LBPRGKRZSA-N -1 0 336.457 3.587 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2Cc1cnn(Cc2ccccc2)c1 ZINC000394412069 972711669 /nfs/dbraw/zinc/71/16/69/972711669.db2.gz GLBNOTSBPRYOPT-UHFFFAOYSA-N -1 0 347.418 3.582 20 0 EHADRM Cc1c(Cl)cc2c(c1Cl)CCCN2C(=O)[C@]1(C(=O)[O-])C[C@H]1C ZINC001605082253 972723193 /nfs/dbraw/zinc/72/31/93/972723193.db2.gz YFLIDGADSQVJLO-BCTVWOGZSA-N -1 0 342.222 3.692 20 0 EHADRM Cc1c(NC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)ccc(F)c1F ZINC001605091129 972734669 /nfs/dbraw/zinc/73/46/69/972734669.db2.gz CBHBTZSUEJJMMP-IUODEOHRSA-N -1 0 346.333 3.708 20 0 EHADRM Cc1c2ccccc2sc1[C@H](C)OC(=O)c1cc(C(=O)[O-])nn1C ZINC001605093390 972748634 /nfs/dbraw/zinc/74/86/34/972748634.db2.gz DKDTUUYDLQQIJM-JTQLQIEISA-N -1 0 344.392 3.559 20 0 EHADRM COc1ccc(NC(=O)N(C)[C@H](C)c2ccccc2)c(C(=O)[O-])c1 ZINC000394924022 972766864 /nfs/dbraw/zinc/76/68/64/972766864.db2.gz PIEKLZWAWBLNCO-GFCCVEGCSA-N -1 0 328.368 3.618 20 0 EHADRM Cc1cc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)nc2ccccc12 ZINC001605122555 972784147 /nfs/dbraw/zinc/78/41/47/972784147.db2.gz NADKGZKEMAFWRN-AEFFLSMTSA-N -1 0 346.386 3.586 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)Nc2cccc3ccsc32)c1 ZINC000395427443 972797412 /nfs/dbraw/zinc/79/74/12/972797412.db2.gz OXQKGSVHKJPWIU-UHFFFAOYSA-N -1 0 340.404 3.964 20 0 EHADRM Cc1cc(C(F)(F)F)cc(C)c1NC(=O)N1CCC(C(=O)[O-])CC1 ZINC001605145366 972822653 /nfs/dbraw/zinc/82/26/53/972822653.db2.gz BDHBZCGIYBOFRG-UHFFFAOYSA-N -1 0 344.333 3.651 20 0 EHADRM Cc1cc(C)c2c(c1)CCN(C(=O)C1(C(=O)[O-])CCCCCC1)C2 ZINC001605153015 972841599 /nfs/dbraw/zinc/84/15/99/972841599.db2.gz OOTNPVFNQCKZSR-UHFFFAOYSA-N -1 0 329.440 3.613 20 0 EHADRM COc1ccc([C@H](C)NC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cc1 ZINC000396353402 972863846 /nfs/dbraw/zinc/86/38/46/972863846.db2.gz BEGQRLNCIFVURB-STQMWFEESA-N -1 0 342.395 3.766 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c(C)o1 ZINC000396388214 972870997 /nfs/dbraw/zinc/87/09/97/972870997.db2.gz PVJGTVXSEPOTEA-VXGBXAGGSA-N -1 0 330.384 3.967 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)CSCc2cccs2)cc1 ZINC000396432672 972883046 /nfs/dbraw/zinc/88/30/46/972883046.db2.gz JFUBTRVFIOLHDO-NSHDSACASA-N -1 0 335.450 3.808 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)C2(CC(=O)[O-])CCC2)C[C@@H](c2ccccc2)C1 ZINC001603375273 972919304 /nfs/dbraw/zinc/91/93/04/972919304.db2.gz OFBXMFNOCNNRLK-BHYGNILZSA-N -1 0 329.440 3.720 20 0 EHADRM Cc1cc(NC(=O)NC2(C(=O)[O-])CCCC2)cc(C(F)(F)F)c1 ZINC001605202266 972941058 /nfs/dbraw/zinc/94/10/58/972941058.db2.gz LACYGAZAEFVRBF-UHFFFAOYSA-N -1 0 330.306 3.533 20 0 EHADRM CC(C)[C@@H](CNC(=O)N[C@H]1C[C@@H](C)C[C@H](c2ccccc2)C1)C(=O)[O-] ZINC001603380170 972946118 /nfs/dbraw/zinc/94/61/18/972946118.db2.gz LBTYNDAFFKGQBX-LEUOFYLZSA-N -1 0 346.471 3.615 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001603389103 973000886 /nfs/dbraw/zinc/00/08/86/973000886.db2.gz XGDHCYAJGHRFOM-SCZZXKLOSA-N -1 0 349.736 3.684 20 0 EHADRM Cc1ccc(-n2cnnc2SCCC2(C(=O)[O-])CCC2)c(C)c1 ZINC001605242993 973005338 /nfs/dbraw/zinc/00/53/38/973005338.db2.gz VTXXLTPKNAGKLX-UHFFFAOYSA-N -1 0 331.441 3.621 20 0 EHADRM Cc1ccc(C(F)(F)F)c(NC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC001605257128 973035605 /nfs/dbraw/zinc/03/56/05/973035605.db2.gz YVWGQIIDGQQLKN-GHMZBOCLSA-N -1 0 344.333 3.588 20 0 EHADRM Cc1ccc([C@@H]2CCC[C@@H]2OC(=O)c2ccc(C(=O)[O-])cn2)cc1 ZINC001605262986 973040113 /nfs/dbraw/zinc/04/01/13/973040113.db2.gz PRLPYGJDVMIOGX-RDJZCZTQSA-N -1 0 325.364 3.581 20 0 EHADRM Cc1ccc(C[C@@H]2CCCN(C(=O)[C@]3(C(=O)[O-])CC=CCC3)C2)cc1 ZINC001605264330 973044520 /nfs/dbraw/zinc/04/45/20/973044520.db2.gz IMLWWCVTDHBKGB-RXVVDRJESA-N -1 0 341.451 3.587 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001605277966 973073485 /nfs/dbraw/zinc/07/34/85/973073485.db2.gz YDZMWWQNSAGMCX-HOTGVXAUSA-N -1 0 329.783 3.691 20 0 EHADRM Cc1ccc(F)c(NCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)c1 ZINC001605281922 973075404 /nfs/dbraw/zinc/07/54/04/973075404.db2.gz ATKGILDPPGLGSW-ZDUSSCGKSA-N -1 0 332.375 3.640 20 0 EHADRM Cc1ccc(NC2CCC(C(=O)[O-])CC2)cc1OCCCCCO ZINC001605293830 973102300 /nfs/dbraw/zinc/10/23/00/973102300.db2.gz FILKGMASYDBXIH-UHFFFAOYSA-N -1 0 335.444 3.592 20 0 EHADRM Cc1ccc(Oc2ccc(C(=O)Nc3ncccc3C(=O)[O-])cc2)nc1 ZINC001605302845 973117228 /nfs/dbraw/zinc/11/72/28/973117228.db2.gz JQNADBGCIYXGCY-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM C[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C[C@@H]1C(=O)[O-] ZINC001603416634 973117254 /nfs/dbraw/zinc/11/72/54/973117254.db2.gz VOLWWFDNFUCILR-CJNGLKHVSA-N -1 0 349.858 3.721 20 0 EHADRM Cc1ccc(SC[C@@H](C)NC(=O)c2coc(/C=C/C(=O)[O-])c2)cc1 ZINC001605307226 973123544 /nfs/dbraw/zinc/12/35/44/973123544.db2.gz GELWXLWEPMIDMM-OQHXTRMZSA-N -1 0 345.420 3.596 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)NC[C@@H]2CCC[C@H]2c2ccccc2)co1 ZINC001606062317 973180849 /nfs/dbraw/zinc/18/08/49/973180849.db2.gz CFXKCIBBRIGRIL-REZMZDAPSA-N -1 0 339.391 3.691 20 0 EHADRM Cc1cccc([C@H](NC(=O)CCc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC001605329202 973194326 /nfs/dbraw/zinc/19/43/26/973194326.db2.gz UZVSDTACTAPORT-KRWDZBQOSA-N -1 0 331.799 3.523 20 0 EHADRM C[C@H]1CN(C(=O)C2(C(=O)[O-])CCCCCC2)CCc2ccccc21 ZINC001603440376 973225782 /nfs/dbraw/zinc/22/57/82/973225782.db2.gz RJIFXHYBFSCMME-HNNXBMFYSA-N -1 0 329.440 3.600 20 0 EHADRM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC001605347458 973244345 /nfs/dbraw/zinc/24/43/45/973244345.db2.gz MWWAXAIQLWSMCU-XZDPQHSOSA-N -1 0 329.440 3.545 20 0 EHADRM Cc1ccccc1C(F)(F)C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001605351039 973254133 /nfs/dbraw/zinc/25/41/33/973254133.db2.gz LJFNUGKGUXKRFF-HOCLYGCPSA-N -1 0 345.345 3.516 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)C(C)(C)C ZINC001605360680 973296007 /nfs/dbraw/zinc/29/60/07/973296007.db2.gz XIVRYRVXWWWBFA-MRXNPFEDSA-N -1 0 326.396 3.605 20 0 EHADRM CC(C)=CCC[C@@H](C)CC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000400756713 973312507 /nfs/dbraw/zinc/31/25/07/973312507.db2.gz GDEOJGXSEGYMDR-BEFAXECRSA-N -1 0 329.440 3.970 20 0 EHADRM CC(C)=CCC[C@@H](C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000400756216 973312710 /nfs/dbraw/zinc/31/27/10/973312710.db2.gz GCWOZUDQBGMKQR-QAPCUYQASA-N -1 0 329.440 3.797 20 0 EHADRM CC(C)=CCC[C@H](C)CC(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000400792062 973314220 /nfs/dbraw/zinc/31/42/20/973314220.db2.gz UYQFJHBJJXHSNY-WMLDXEAASA-N -1 0 331.412 3.638 20 0 EHADRM C[C@H]1CN(C)c2ccccc2N(C(=O)C2(C(=O)[O-])CCCCCC2)C1 ZINC001603462302 973314274 /nfs/dbraw/zinc/31/42/74/973314274.db2.gz WBCWMJRZIIMTSR-HNNXBMFYSA-N -1 0 344.455 3.531 20 0 EHADRM C[C@H]1CO[C@H](C(=O)Nc2scc(-c3ccsc3)c2C(=O)[O-])C1 ZINC001603473481 973351550 /nfs/dbraw/zinc/35/15/50/973351550.db2.gz MYXLQFCPEJSQQC-KCJUWKMLSA-N -1 0 337.422 3.538 20 0 EHADRM CC(C)(CC(=O)NCc1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000262288335 1025748471 /nfs/dbraw/zinc/74/84/71/1025748471.db2.gz XDZFLNNTFKXMAO-UHFFFAOYSA-N -1 0 327.380 3.596 20 0 EHADRM CCC(=O)c1ccc(NC(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC001603486556 973413766 /nfs/dbraw/zinc/41/37/66/973413766.db2.gz YOVXAHIJXKYNKY-UHFFFAOYSA-N -1 0 326.352 3.550 20 0 EHADRM CCC(CC)(CNC(=O)CCOc1ccccc1C(C)C)C(=O)[O-] ZINC001603532374 973583142 /nfs/dbraw/zinc/58/31/42/973583142.db2.gz VICOTVIYBABAJL-UHFFFAOYSA-N -1 0 335.444 3.586 20 0 EHADRM O=C([O-])COc1ccc(C(=O)N[C@@H](C2CCC2)C2CCCCC2)cc1 ZINC001606287012 973687589 /nfs/dbraw/zinc/68/75/89/973687589.db2.gz LSNJCBJSNXLYOH-LJQANCHMSA-N -1 0 345.439 3.629 20 0 EHADRM CC[C@H](CSc1ccccc1)NC(=O)C1(C(=O)[O-])CCCCC1 ZINC001603575169 973717979 /nfs/dbraw/zinc/71/79/79/973717979.db2.gz IFPNVIICWOKIRV-CQSZACIVSA-N -1 0 335.469 3.709 20 0 EHADRM CCCO[C@@H]1CCCN(C(=O)c2cc(F)c([O-])c(Cl)c2)CC1 ZINC000274497602 1014138931 /nfs/dbraw/zinc/13/89/31/1014138931.db2.gz OYWIPYHUGVBRSV-GFCCVEGCSA-N -1 0 329.799 3.606 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)C2(c3ccccc3F)CCCC2)C1 ZINC001603594068 973815694 /nfs/dbraw/zinc/81/56/94/973815694.db2.gz OQFUDBCCULTAKJ-IBGZPJMESA-N -1 0 347.430 3.741 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)NCCCCCc2ccccc2)C1 ZINC001603599922 973828585 /nfs/dbraw/zinc/82/85/85/973828585.db2.gz BWBSJPMKYKSPBF-HXUWFJFHSA-N -1 0 346.471 3.686 20 0 EHADRM CC[C@]1(Cc2ccccc2)CCCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001603617168 973900090 /nfs/dbraw/zinc/90/00/90/973900090.db2.gz RPVFBDSKQYGXDY-SQGPQFPESA-N -1 0 329.440 3.501 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1CNC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001603619808 973917453 /nfs/dbraw/zinc/91/74/53/973917453.db2.gz LLJNQFNUSCDSHI-JXXFODFXSA-N -1 0 346.471 3.545 20 0 EHADRM CC[C@@H]1CCc2nc(NC(=O)C3(C(=O)[O-])CCCCC3)sc2C1 ZINC001603625490 973935408 /nfs/dbraw/zinc/93/54/08/973935408.db2.gz XHODAEIBPBWCLQ-LLVKDONJSA-N -1 0 336.457 3.632 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)C[C@@H]2CCOc3ccccc32)cc1 ZINC000414462323 973941625 /nfs/dbraw/zinc/94/16/25/973941625.db2.gz ZHHXHHGQVUJHSL-HIFRSBDPSA-N -1 0 339.391 3.770 20 0 EHADRM CCC[C@H](CCc1ccccc1)NC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC001603633458 973959985 /nfs/dbraw/zinc/95/99/85/973959985.db2.gz BXIZGQYFIKQALE-XLIONFOSSA-N -1 0 329.440 3.715 20 0 EHADRM CSCc1cnc(CNc2ccc(C[C@@H](C)C(=O)[O-])cc2)s1 ZINC000417613936 973965924 /nfs/dbraw/zinc/96/59/24/973965924.db2.gz ULZPIDUWJNFBPG-LLVKDONJSA-N -1 0 336.482 3.881 20 0 EHADRM O=C([O-])c1ccc(CNc2ccccc2[C@H](O)C(F)(F)F)cc1 ZINC001606495071 973979099 /nfs/dbraw/zinc/97/90/99/973979099.db2.gz KOPDXIWKSZAWDD-AWEZNQCLSA-N -1 0 325.286 3.593 20 0 EHADRM O=C([O-])c1ccc(CNc2cccc(Oc3cnccn3)c2)s1 ZINC001606495265 973980523 /nfs/dbraw/zinc/98/05/23/973980523.db2.gz PYEDMYWCHCZSMR-UHFFFAOYSA-N -1 0 327.365 3.641 20 0 EHADRM O=C([O-])c1cccc(C(=O)N[C@]2(C(F)(F)F)CCc3ccccc32)c1 ZINC001606504105 973994016 /nfs/dbraw/zinc/99/40/16/973994016.db2.gz CHXSILVTAACZCD-QGZVFWFLSA-N -1 0 349.308 3.519 20 0 EHADRM CCCCCOc1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1 ZINC001603645697 974001468 /nfs/dbraw/zinc/00/14/68/974001468.db2.gz VQKODRYOXXLZGJ-ZBFHGGJFSA-N -1 0 333.428 3.581 20 0 EHADRM Cc1ccc(C)c([C@H]2CCCN2C(=O)NCCC(C)(C)C(=O)[O-])c1 ZINC000424408843 974031226 /nfs/dbraw/zinc/03/12/26/974031226.db2.gz WGGIFJAORBDYNE-MRXNPFEDSA-N -1 0 332.444 3.651 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)C1(c2c(Cl)cccc2Cl)CCC1 ZINC001603660384 974031428 /nfs/dbraw/zinc/03/14/28/974031428.db2.gz KYYWEPDCQXYOOP-UHFFFAOYSA-N -1 0 344.238 3.738 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)[C@@H]2CCC[C@@H](F)C2)c2ccccc12 ZINC000425249548 974041136 /nfs/dbraw/zinc/04/11/36/974041136.db2.gz UJVMMXXERXHQFK-CHWSQXEVSA-N -1 0 345.370 3.770 20 0 EHADRM O=C([O-])[C@@H](NCc1ncc(-c2ccccc2)s1)c1ccccc1F ZINC000426780410 974047094 /nfs/dbraw/zinc/04/70/94/974047094.db2.gz RLIWCCULKPPEJL-KRWDZBQOSA-N -1 0 342.395 3.865 20 0 EHADRM Cc1cc(Cl)c(C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cc1C ZINC000431505962 974066807 /nfs/dbraw/zinc/06/68/07/974066807.db2.gz KVSHPNCXHSRTEP-OAHLLOKOSA-N -1 0 331.799 3.555 20 0 EHADRM CCSCc1ccc(C(=O)NCC2(C(=O)[O-])CCCCC2)cc1 ZINC000431860880 974077410 /nfs/dbraw/zinc/07/74/10/974077410.db2.gz WRNOFUYVCXNKTM-UHFFFAOYSA-N -1 0 335.469 3.705 20 0 EHADRM Cc1cc2[nH]c(C(=O)NCC3(C(=O)[O-])CCCCC3)cc2c(C)c1 ZINC000431884683 974077511 /nfs/dbraw/zinc/07/75/11/974077511.db2.gz WTWGHLJQPITUDE-UHFFFAOYSA-N -1 0 328.412 3.550 20 0 EHADRM O=C([O-])C1(CNC(=O)c2cccc(OC3CCCC3)c2)CCCCC1 ZINC000431862617 974077768 /nfs/dbraw/zinc/07/77/68/974077768.db2.gz BBKVQFGZWUZLGU-UHFFFAOYSA-N -1 0 345.439 3.773 20 0 EHADRM O=C([O-])[C@H](NC(=O)C[C@@H]1CCCc2ccccc21)c1ccc(F)cc1 ZINC001605670064 974079351 /nfs/dbraw/zinc/07/93/51/974079351.db2.gz FJVPBTBCPMPEAX-HNAYVOBHSA-N -1 0 341.382 3.578 20 0 EHADRM CN(C(=O)Cc1c[nH]c2cc(Cl)ccc12)C1(C(=O)[O-])CCCCC1 ZINC000431978322 974080006 /nfs/dbraw/zinc/08/00/06/974080006.db2.gz WICXAZBLMXIDAW-UHFFFAOYSA-N -1 0 348.830 3.610 20 0 EHADRM Cc1ccc2c(CC(=O)N[C@]3(C)CCCC[C@@H]3C(=O)[O-])coc2c1C ZINC000432120504 974089212 /nfs/dbraw/zinc/08/92/12/974089212.db2.gz ANWWDCVZMCOWEW-OXQOHEQNSA-N -1 0 343.423 3.742 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2Cc3ccccc3C[C@H]2c2ccccc2)o1 ZINC000432130765 974091123 /nfs/dbraw/zinc/09/11/23/974091123.db2.gz SUBCNAIUAWKLHK-KRWDZBQOSA-N -1 0 347.370 3.918 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C2(c3cccc(Cl)c3)CCCCC2)C1 ZINC000435715277 974097872 /nfs/dbraw/zinc/09/78/72/974097872.db2.gz AGAFCQYYYSVQJG-CJNGLKHVSA-N -1 0 349.858 3.911 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)c1cccc2c1CCC2)C(=O)[O-] ZINC000439933209 974113933 /nfs/dbraw/zinc/11/39/33/974113933.db2.gz IRVGJNIUQGCIJW-OAHLLOKOSA-N -1 0 337.419 3.538 20 0 EHADRM COc1cccc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)c1C ZINC001604871181 974119195 /nfs/dbraw/zinc/11/91/95/974119195.db2.gz MRJVVLOWXIBJJQ-UHFFFAOYSA-N -1 0 328.368 3.665 20 0 EHADRM O=C([O-])c1ccc(COC(=O)CSCc2ccc(F)cc2)cc1 ZINC001605703222 974129579 /nfs/dbraw/zinc/12/95/79/974129579.db2.gz ZBHMILFBHASUNL-UHFFFAOYSA-N -1 0 334.368 3.501 20 0 EHADRM CCc1c(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cnn1C(CC)CC ZINC000455786753 974151703 /nfs/dbraw/zinc/15/17/03/974151703.db2.gz JTCQXMWRPWYPMX-AWEZNQCLSA-N -1 0 349.475 3.524 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CCc1nc2ccccc2o1 ZINC000471992892 974199031 /nfs/dbraw/zinc/19/90/31/974199031.db2.gz RHFNNSFFBYSGCX-UHFFFAOYSA-N -1 0 338.363 3.714 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CCc1cc(F)ccc1F ZINC000471992128 974199153 /nfs/dbraw/zinc/19/91/53/974199153.db2.gz MREJKQJMOCHZCW-UHFFFAOYSA-N -1 0 333.334 3.851 20 0 EHADRM Cc1c2cc(N)ccc2nn1-c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001211487333 1014173742 /nfs/dbraw/zinc/17/37/42/1014173742.db2.gz CPZHWTPLDCPFCU-UHFFFAOYSA-N -1 0 335.285 3.633 20 0 EHADRM Cc1cc(NC(=O)c2ccc(C(=O)[O-])cc2F)ccc1OC(C)C ZINC000478845289 974211128 /nfs/dbraw/zinc/21/11/28/974211128.db2.gz NRAALDRDPIKYAP-UHFFFAOYSA-N -1 0 331.343 3.872 20 0 EHADRM Cc1ccccc1CC(C)(C)NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000478850892 974211820 /nfs/dbraw/zinc/21/18/20/974211820.db2.gz FOXKCWKUKFNALQ-UHFFFAOYSA-N -1 0 329.371 3.583 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC2(c3ccc(F)cc3)CCCC2)c(F)c1 ZINC000478867054 974214131 /nfs/dbraw/zinc/21/41/31/974214131.db2.gz RKDDVNQHFDQLCN-UHFFFAOYSA-N -1 0 345.345 3.862 20 0 EHADRM C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC000507293556 974276361 /nfs/dbraw/zinc/27/63/61/974276361.db2.gz AQGWIQJGQYIUIB-MDASCCDHSA-N -1 0 337.419 3.984 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CN1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000515855891 974302995 /nfs/dbraw/zinc/30/29/95/974302995.db2.gz LYCWLFSUTMABSM-BDJLRTHQSA-N -1 0 349.427 3.856 20 0 EHADRM CCO[C@@H]1C[C@H](NC(=O)C2(C(=O)[O-])CCCCCC2)C1(CC)CC ZINC001603825199 974320220 /nfs/dbraw/zinc/32/02/20/974320220.db2.gz DYCBUIQBHHFRNS-LSDHHAIUSA-N -1 0 339.476 3.512 20 0 EHADRM Cc1ccc(SC2CCCC2)c(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c1 ZINC000518565828 974324580 /nfs/dbraw/zinc/32/45/80/974324580.db2.gz OHCDNDJYVHDZGC-JOCQHMNTSA-N -1 0 333.453 3.623 20 0 EHADRM CCc1ccc2occ(C(=O)N3CCC(CCC(=O)[O-])CC3)c2c1 ZINC000518691109 974324654 /nfs/dbraw/zinc/32/46/54/974324654.db2.gz IOQPTDCMGOTYSP-UHFFFAOYSA-N -1 0 329.396 3.712 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000520216656 974337317 /nfs/dbraw/zinc/33/73/17/974337317.db2.gz GRKIMSVOBJLSNZ-KBAYOESNSA-N -1 0 341.451 3.602 20 0 EHADRM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000521272985 974343617 /nfs/dbraw/zinc/34/36/17/974343617.db2.gz IDALUKNEOGXYLS-ZBEGNZNMSA-N -1 0 335.787 3.766 20 0 EHADRM C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1Cc1ccc(C(=O)[O-])o1 ZINC000521633988 974346185 /nfs/dbraw/zinc/34/61/85/974346185.db2.gz HJTOIRCZAWQWKS-BDJLRTHQSA-N -1 0 335.787 3.593 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000525979092 974349992 /nfs/dbraw/zinc/34/99/92/974349992.db2.gz LBMUIQRSLACRBU-UHFFFAOYSA-N -1 0 332.425 3.844 20 0 EHADRM O=C([O-])c1ccoc1CN1CCc2c(cccc2C(F)(F)F)C1 ZINC000530171401 974361981 /nfs/dbraw/zinc/36/19/81/974361981.db2.gz DDIHMXLHEGOAPI-UHFFFAOYSA-N -1 0 325.286 3.555 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CCc1ccc(OC(F)F)cc1 ZINC000531744152 974367450 /nfs/dbraw/zinc/36/74/50/974367450.db2.gz LNFGGSGFKJTOOG-UHFFFAOYSA-N -1 0 349.333 3.866 20 0 EHADRM CCOc1ccc(SCC(=O)OCc2ccc(C(=O)[O-])cc2)cc1 ZINC001603869778 974374060 /nfs/dbraw/zinc/37/40/60/974374060.db2.gz WSQSBIANXGDULL-UHFFFAOYSA-N -1 0 346.404 3.619 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)Cc1csc2ccccc12 ZINC000537367403 974381898 /nfs/dbraw/zinc/38/18/98/974381898.db2.gz CTYUXMQUYXCZLT-UHFFFAOYSA-N -1 0 339.416 3.801 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2cccc3c4c([nH]c32)CCCC4)cc1 ZINC000541575710 974411423 /nfs/dbraw/zinc/41/14/23/974411423.db2.gz WVMMVLUANXRVNN-UHFFFAOYSA-N -1 0 348.402 3.926 20 0 EHADRM O=C([O-])c1coc(C(=O)NC2(c3ccc(Cl)cc3)CCCC2)c1 ZINC000543699003 974418505 /nfs/dbraw/zinc/41/85/05/974418505.db2.gz BTMZKJHGXOALMT-UHFFFAOYSA-N -1 0 333.771 3.831 20 0 EHADRM CCc1ccc([C@@H](C)NC(=O)N2CCC[C@](CC)(C(=O)[O-])C2)cc1 ZINC001603975539 974468908 /nfs/dbraw/zinc/46/89/08/974468908.db2.gz STBNOVDIVDMPJW-KUHUBIRLSA-N -1 0 332.444 3.596 20 0 EHADRM CC(C)c1ccc(O[C@H](C)CNC(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000553521470 974480582 /nfs/dbraw/zinc/48/05/82/974480582.db2.gz BRKJANVUBOJLEE-CQSZACIVSA-N -1 0 335.444 3.585 20 0 EHADRM CCN(C(=O)Cc1cccc(C(=O)[O-])c1)[C@H](C)c1ccc(F)cc1 ZINC000554278582 974482522 /nfs/dbraw/zinc/48/25/22/974482522.db2.gz MOFXALOPNQAEMS-CYBMUJFWSA-N -1 0 329.371 3.676 20 0 EHADRM Cc1cc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)sc1-c1ccccc1 ZINC000563550412 974536210 /nfs/dbraw/zinc/53/62/10/974536210.db2.gz ZFLUCYKSXKSHTC-GOSISDBHSA-N -1 0 329.421 3.660 20 0 EHADRM CN(C(=O)CCC(=O)[O-])[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001604028659 974553977 /nfs/dbraw/zinc/55/39/77/974553977.db2.gz NKBMFJHTBOKLEA-ZIAGYGMSSA-N -1 0 343.345 3.665 20 0 EHADRM O=C([O-])c1ccc(CN2CCO[C@H](c3ccc(F)cc3)C2)cc1Cl ZINC000566742864 974620973 /nfs/dbraw/zinc/62/09/73/974620973.db2.gz AYNBMOHJSQITIT-KRWDZBQOSA-N -1 0 349.789 3.751 20 0 EHADRM Cc1c(NCC(C)(C)C)cccc1C(=O)NCCCCCC(=O)[O-] ZINC000566854847 974622670 /nfs/dbraw/zinc/62/26/70/974622670.db2.gz DITODBGVWSIQNH-UHFFFAOYSA-N -1 0 334.460 3.828 20 0 EHADRM C[C@@H](CN(C)[C@@H](C(=O)[O-])c1c(F)cccc1Cl)c1nccs1 ZINC000566921105 974624721 /nfs/dbraw/zinc/62/47/21/974624721.db2.gz WOJCZSNVUZYWNN-TVQRCGJNSA-N -1 0 342.823 3.797 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)NCC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000567291363 974631795 /nfs/dbraw/zinc/63/17/95/974631795.db2.gz YXQLAASXGAHDPG-LLVKDONJSA-N -1 0 345.361 3.600 20 0 EHADRM CC(C)(CCNC(=O)c1cc2cccc(Cl)c2s1)C(=O)[O-] ZINC000569003816 974682645 /nfs/dbraw/zinc/68/26/45/974682645.db2.gz UXBVUVKRJDTNEM-UHFFFAOYSA-N -1 0 325.817 3.785 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N(CCc1ccccc1)c1ccccc1 ZINC000569708719 974696905 /nfs/dbraw/zinc/69/69/05/974696905.db2.gz QPSCAMLCJNVJAQ-INIZCTEOSA-N -1 0 325.408 3.763 20 0 EHADRM CC1(C)C[C@H](c2ccccc2)N(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000570805281 974718416 /nfs/dbraw/zinc/71/84/16/974718416.db2.gz NIBQAVJWVHZVGY-GVDBMIGSSA-N -1 0 329.440 3.877 20 0 EHADRM CCc1c(C(=O)Nc2cccc(C(=O)[O-])c2)cnn1C(CC)CC ZINC000573249187 974762854 /nfs/dbraw/zinc/76/28/54/974762854.db2.gz YFVBVNZSQZAEOA-UHFFFAOYSA-N -1 0 329.400 3.757 20 0 EHADRM C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1Cc1cc(C(=O)[O-])co1 ZINC000573572509 974767915 /nfs/dbraw/zinc/76/79/15/974767915.db2.gz ZLLNFZVMWNKRKW-ZBEGNZNMSA-N -1 0 335.787 3.593 20 0 EHADRM O=C([O-])c1ccc([C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)C(F)(F)F)cc1 ZINC000575114970 974795572 /nfs/dbraw/zinc/79/55/72/974795572.db2.gz VUFJVUSVWLUAAZ-SYQHCUMBSA-N -1 0 341.329 3.541 20 0 EHADRM C[C@H]1CN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC(C)(C)O1 ZINC000575874914 974802772 /nfs/dbraw/zinc/80/27/72/974802772.db2.gz LYXPLYBIXBHRLF-ZANVPECISA-N -1 0 332.227 3.618 20 0 EHADRM COCc1ccc([C@@H]2CCC[N@@H+]2[C@@H](C(=O)[O-])c2ccccc2C)o1 ZINC000576046262 974806998 /nfs/dbraw/zinc/80/69/98/974806998.db2.gz GGEXVHJSEHLVKL-FUHWJXTLSA-N -1 0 329.396 3.697 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2cnc3ccsc3c2)cc1)C(=O)[O-] ZINC000576895710 974824555 /nfs/dbraw/zinc/82/45/55/974824555.db2.gz HBDQFOYQPQGFQN-NSHDSACASA-N -1 0 340.404 3.812 20 0 EHADRM CCc1ccc([C@@H]2CN([C@@H](C)c3cc(C)c(C(=O)[O-])o3)CCO2)cc1 ZINC000577285029 974833310 /nfs/dbraw/zinc/83/33/10/974833310.db2.gz HLFSABBQEJMVQO-KSSFIOAISA-N -1 0 343.423 3.983 20 0 EHADRM CCCC[C@@H](Sc1cc(CC)nc(-c2ccncc2)n1)C(=O)[O-] ZINC000580217204 974891476 /nfs/dbraw/zinc/89/14/76/974891476.db2.gz VYBSKQABMCNOEX-CQSZACIVSA-N -1 0 331.441 3.837 20 0 EHADRM COc1cc(NC(=O)c2sc(C(C)C)nc2C)ccc1C(=O)[O-] ZINC000580817235 974900093 /nfs/dbraw/zinc/90/00/93/974900093.db2.gz KAJJTOSNKFRYJA-UHFFFAOYSA-N -1 0 334.397 3.534 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000581380246 974909695 /nfs/dbraw/zinc/90/96/95/974909695.db2.gz NDGYAIPOHIDLIG-MAUKXSAKSA-N -1 0 325.408 3.588 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000604498010 975014251 /nfs/dbraw/zinc/01/42/51/975014251.db2.gz NJDQNXQYVDYBCF-GFCCVEGCSA-N -1 0 347.436 3.765 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)CCc1ccc(Cl)s1)C2 ZINC000621578677 975039385 /nfs/dbraw/zinc/03/93/85/975039385.db2.gz BLVRXMSLYPHLKG-UHFFFAOYSA-N -1 0 349.839 3.617 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000621579601 975040524 /nfs/dbraw/zinc/04/05/24/975040524.db2.gz RWOKWRKIZUOEQM-HNNXBMFYSA-N -1 0 337.419 3.772 20 0 EHADRM Cc1cc(F)cc(C(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)c1 ZINC000621588119 975045137 /nfs/dbraw/zinc/04/51/37/975045137.db2.gz QLHHPPMFPGLFPG-IRXDYDNUSA-N -1 0 327.355 3.565 20 0 EHADRM CCCCc1ccc(CC(=O)N[C@@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC000621608911 975057853 /nfs/dbraw/zinc/05/78/53/975057853.db2.gz BTHHEHJPGKSZCZ-LBPRGKRZSA-N -1 0 346.452 3.604 20 0 EHADRM CC[C@H](CC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccc(C)cc1 ZINC000621610732 975059249 /nfs/dbraw/zinc/05/92/49/975059249.db2.gz OMONGYRFALNSRE-QWHCGFSZSA-N -1 0 346.452 3.911 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000621610988 975059937 /nfs/dbraw/zinc/05/99/37/975059937.db2.gz UFZXYXZKIAWWJN-NEPJUHHUSA-N -1 0 332.425 3.521 20 0 EHADRM C[C@H](NC(=O)C[C@H]1CCCc2ccccc21)c1ncc(C(=O)[O-])s1 ZINC000621611138 975060070 /nfs/dbraw/zinc/06/00/70/975060070.db2.gz XREXAUPIOGPXAC-WCQYABFASA-N -1 0 344.436 3.529 20 0 EHADRM CC(C)CN(Cc1cccc(Cl)c1)C(=O)c1cc(C(=O)[O-])ccn1 ZINC000621618447 975063166 /nfs/dbraw/zinc/06/31/66/975063166.db2.gz XIQCBXVNZCVUOJ-UHFFFAOYSA-N -1 0 346.814 3.732 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000621621438 975063573 /nfs/dbraw/zinc/06/35/73/975063573.db2.gz PTMBDTWCTDCBLI-AWEZNQCLSA-N -1 0 340.423 3.516 20 0 EHADRM O=C([O-])c1coc(CN2CCc3cc(C(F)(F)F)ccc3C2)c1 ZINC000625971560 975066971 /nfs/dbraw/zinc/06/69/71/975066971.db2.gz IIKGYPOVLKKMKC-UHFFFAOYSA-N -1 0 325.286 3.555 20 0 EHADRM O=C([O-])c1occc1CN1CCc2cc(C(F)(F)F)ccc2C1 ZINC000625971562 975067682 /nfs/dbraw/zinc/06/76/82/975067682.db2.gz IKLOQXVINPEOPE-UHFFFAOYSA-N -1 0 325.286 3.555 20 0 EHADRM CC(C)(CNC(=O)NCCCCC(=O)[O-])c1ccc2ccccc2c1 ZINC000626768018 975070566 /nfs/dbraw/zinc/07/05/66/975070566.db2.gz XCPYACXJPHVXIT-UHFFFAOYSA-N -1 0 342.439 3.672 20 0 EHADRM CC[C@H](CC(=O)N[C@H](CC(=O)[O-])c1ccc(OC)cc1)C(C)(C)C ZINC000630097553 975099191 /nfs/dbraw/zinc/09/91/91/975099191.db2.gz JHVJXOVDHQULOK-GDBMZVCRSA-N -1 0 335.444 3.790 20 0 EHADRM CC[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1ccc(OC)cc1)C(C)(C)C ZINC000630097554 975099293 /nfs/dbraw/zinc/09/92/93/975099293.db2.gz JHVJXOVDHQULOK-GOEBONIOSA-N -1 0 335.444 3.790 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@H]2Cc2ccccc2Cl)oc1C(=O)[O-] ZINC000630112984 975106378 /nfs/dbraw/zinc/10/63/78/975106378.db2.gz MOTTUBSZHYBQJK-ZDUSSCGKSA-N -1 0 347.798 3.787 20 0 EHADRM CCC(CC)(CNC(=O)Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000630148142 975129462 /nfs/dbraw/zinc/12/94/62/975129462.db2.gz LNJQWRLVWVMTEH-UHFFFAOYSA-N -1 0 332.227 3.543 20 0 EHADRM Cc1ccccc1C[C@H](C)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000630156544 975133512 /nfs/dbraw/zinc/13/35/12/975133512.db2.gz HOOHTFIYNXNJEX-RDJZCZTQSA-N -1 0 331.456 3.523 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2csc(C(F)(F)F)c2)C1 ZINC000630159285 975135666 /nfs/dbraw/zinc/13/56/66/975135666.db2.gz XSZAABOMYNAUON-SNVBAGLBSA-N -1 0 349.374 3.730 20 0 EHADRM C[C@H](CC(=O)N(CCCC(=O)[O-])Cc1ccccc1)c1ccco1 ZINC000630159639 975135720 /nfs/dbraw/zinc/13/57/20/975135720.db2.gz NZPNANRIJJROEP-OAHLLOKOSA-N -1 0 329.396 3.667 20 0 EHADRM Cc1cc(C(=O)N2CC[C@@H](c3cc(C)cc(C)c3)C2)oc1C(=O)[O-] ZINC000630166587 975139668 /nfs/dbraw/zinc/13/96/68/975139668.db2.gz FJMFRMCYGJSQSC-CQSZACIVSA-N -1 0 327.380 3.533 20 0 EHADRM Cc1cc(C(=O)N2CC(C)(C)C[C@@H]2c2ccccc2)oc1C(=O)[O-] ZINC000630199478 975156891 /nfs/dbraw/zinc/15/68/91/975156891.db2.gz LQYFCUVRMSYCDJ-CQSZACIVSA-N -1 0 327.380 3.900 20 0 EHADRM CCC[C@@H]1CCC[C@H]1C(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000630242818 975188270 /nfs/dbraw/zinc/18/82/70/975188270.db2.gz UHTSSZJJNDVADR-CHWSQXEVSA-N -1 0 333.403 3.625 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)NC[C@H](C(=O)[O-])C2CCCCC2)cc1 ZINC000630265615 975209198 /nfs/dbraw/zinc/20/91/98/975209198.db2.gz PJTMOSVANNSKLC-KSSFIOAISA-N -1 0 347.455 3.586 20 0 EHADRM O=C([O-])[C@H](CNC(=O)C[C@]12CCCC[C@H]1C2(F)F)C1CCCCC1 ZINC000630266620 975210396 /nfs/dbraw/zinc/21/03/96/975210396.db2.gz GERKYINUIVYZOC-CKEIUWERSA-N -1 0 343.414 3.599 20 0 EHADRM C[C@H]1CC[C@@H](CCC(=O)Nc2ccc(C(=O)[O-])c3ccccc23)O1 ZINC000630285969 975230381 /nfs/dbraw/zinc/23/03/81/975230381.db2.gz FYDGYVBBOPCQKK-STQMWFEESA-N -1 0 327.380 3.824 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)cc1 ZINC000630287204 975231544 /nfs/dbraw/zinc/23/15/44/975231544.db2.gz XANLZTRRDMBUGH-GRGSLBFTSA-N -1 0 343.467 3.844 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)cc1 ZINC000630287200 975231781 /nfs/dbraw/zinc/23/17/81/975231781.db2.gz XANLZTRRDMBUGH-DQEVTTJGSA-N -1 0 343.467 3.844 20 0 EHADRM Cc1cc(C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)oc1C(=O)[O-] ZINC000630292025 975233453 /nfs/dbraw/zinc/23/34/53/975233453.db2.gz UDLLLJAFGOUZQE-GFCCVEGCSA-N -1 0 333.771 3.569 20 0 EHADRM CC[C@H](CSc1ccccc1)NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000630297076 975236563 /nfs/dbraw/zinc/23/65/63/975236563.db2.gz KCTNBYRTPQZUKE-MRXNPFEDSA-N -1 0 343.448 3.614 20 0 EHADRM O=C([O-])c1coc(C(=O)N2CCC(c3cccc(Cl)c3)CC2)c1 ZINC000630297450 975237226 /nfs/dbraw/zinc/23/72/26/975237226.db2.gz PISAPGMYBBWGAQ-UHFFFAOYSA-N -1 0 333.771 3.651 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1cc2ccccc2s1 ZINC000630301569 975239663 /nfs/dbraw/zinc/23/96/63/975239663.db2.gz ODDXQCCKJSEWSX-AVGNSLFASA-N -1 0 331.437 3.970 20 0 EHADRM Cc1scc(CNC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])c1C ZINC000630312725 975246774 /nfs/dbraw/zinc/24/67/74/975246774.db2.gz AOAARHJVXDMIPJ-LBPRGKRZSA-N -1 0 349.477 3.860 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)N2C3CCC2(C(=O)[O-])CC3)cc1 ZINC000630324604 975252635 /nfs/dbraw/zinc/25/26/35/975252635.db2.gz OEPRLOOXEFWSFY-ARJAWSKDSA-N -1 0 327.424 3.822 20 0 EHADRM Cc1cc(CNC(=O)[C@@H]2CCC[C@H]2Cc2ccccc2)oc1C(=O)[O-] ZINC000630330018 975258267 /nfs/dbraw/zinc/25/82/67/975258267.db2.gz IRKXQOBNDHFGPZ-DOTOQJQBSA-N -1 0 341.407 3.561 20 0 EHADRM Cc1cc(CNC(=O)C2(c3ccccc3F)CCCC2)oc1C(=O)[O-] ZINC000630333362 975262127 /nfs/dbraw/zinc/26/21/27/975262127.db2.gz SOUCLDYULZRROS-UHFFFAOYSA-N -1 0 345.370 3.554 20 0 EHADRM O=C([O-])C1CCC(NC(=O)c2ccc(-c3cccc(F)c3)s2)CC1 ZINC000634803929 975276941 /nfs/dbraw/zinc/27/69/41/975276941.db2.gz POCRXADBJYOMID-UHFFFAOYSA-N -1 0 347.411 3.927 20 0 EHADRM CC1(C)CN(C(=O)CC2(CC(=O)[O-])CCCC2)CC[C@H]1C(F)(F)F ZINC000634920988 975281167 /nfs/dbraw/zinc/28/11/67/975281167.db2.gz WTUBJIOWCBFALY-GFCCVEGCSA-N -1 0 349.393 3.849 20 0 EHADRM CCN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1ccc(C(=O)[O-])c(F)c1 ZINC000639411910 975286567 /nfs/dbraw/zinc/28/65/67/975286567.db2.gz GCASBWOKJGDRNT-HNNXBMFYSA-N -1 0 348.761 3.764 20 0 EHADRM COc1ccc(SCCC(=O)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC000642148848 975290202 /nfs/dbraw/zinc/29/02/02/975290202.db2.gz WWDXJFZXVUJVSH-UHFFFAOYSA-N -1 0 345.420 3.823 20 0 EHADRM CC1=NN(c2ccc(C(=O)Nc3cccc(C(=O)[O-])c3C)cc2)CC1 ZINC000643157356 975297903 /nfs/dbraw/zinc/29/79/03/975297903.db2.gz IZZAZDVXLOQYIQ-UHFFFAOYSA-N -1 0 337.379 3.532 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2ccccc2OC2CCC2)cc1F ZINC000643429185 975301832 /nfs/dbraw/zinc/30/18/32/975301832.db2.gz WQHCNHQGTABAOP-UHFFFAOYSA-N -1 0 343.354 3.636 20 0 EHADRM Cc1cc(S(=O)(=O)Nc2ccccc2C(C)C)cc(C(=O)[O-])c1C ZINC000471108254 1014251649 /nfs/dbraw/zinc/25/16/49/1014251649.db2.gz MRJFBZMWSVCJBA-UHFFFAOYSA-N -1 0 347.436 3.926 20 0 EHADRM O=C([O-])c1cnc(NCC2(c3ccccc3)CCOCC2)c(Cl)c1 ZINC000647448702 975361675 /nfs/dbraw/zinc/36/16/75/975361675.db2.gz XNXDZOWVNHGFGX-UHFFFAOYSA-N -1 0 346.814 3.594 20 0 EHADRM O=C([O-])c1cnc(N[C@H]2CCO[C@@H](c3ccccc3)C2)c(Cl)c1 ZINC000647452917 975364138 /nfs/dbraw/zinc/36/41/38/975364138.db2.gz PYQPQFPHCPHLAD-DZGCQCFKSA-N -1 0 332.787 3.765 20 0 EHADRM CCCc1ccc(C(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)cc1 ZINC000649252944 975389979 /nfs/dbraw/zinc/38/99/79/975389979.db2.gz BFYFCKPYABCBPI-NRFANRHFSA-N -1 0 337.419 3.508 20 0 EHADRM C[C@@H](C(=O)N1CCc2cccc(C(=O)[O-])c2C1)c1cccc(Cl)c1 ZINC000649258315 975400012 /nfs/dbraw/zinc/40/00/12/975400012.db2.gz OQSIYHLGARZKIN-GFCCVEGCSA-N -1 0 343.810 3.727 20 0 EHADRM CC[C@@H](CNC(=O)c1ccc(CSc2ccccc2)cc1)C(=O)[O-] ZINC000649260972 975404459 /nfs/dbraw/zinc/40/44/59/975404459.db2.gz YODALBJFPSMAAR-HNNXBMFYSA-N -1 0 343.448 3.820 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N[C@H](C)c3ccccn3)c12 ZINC000649383107 975409937 /nfs/dbraw/zinc/40/99/37/975409937.db2.gz PLAPPQVUHOEATR-SECBINFHSA-N -1 0 328.397 3.574 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@H](C)c2ccccc2Cl)c(C)c1 ZINC000107971135 1014260583 /nfs/dbraw/zinc/26/05/83/1014260583.db2.gz KRDJEYIHEFKLPM-FATZIPQQSA-N -1 0 349.883 3.942 20 0 EHADRM O=C([O-])c1ccccc1-c1ccccc1C(=O)N1CCCC(F)(F)C1 ZINC000652082804 975477444 /nfs/dbraw/zinc/47/74/44/975477444.db2.gz JOICLVAKXPOIPT-UHFFFAOYSA-N -1 0 345.345 3.923 20 0 EHADRM CC(C)O[C@@H]1C[C@H](Nc2cc(C(=O)[O-])cc3cccnc32)C1(C)C ZINC001591695152 975517197 /nfs/dbraw/zinc/51/71/97/975517197.db2.gz BGPLIMGLARXVKF-JKSUJKDBSA-N -1 0 328.412 3.937 20 0 EHADRM CCO[C@@H]1CCCN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000652394763 975519997 /nfs/dbraw/zinc/51/99/97/975519997.db2.gz DYWGZPLFMMGGJX-BXUZGUMPSA-N -1 0 332.227 3.620 20 0 EHADRM O=C([O-])[C@H](c1ccccc1F)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000652435203 975529903 /nfs/dbraw/zinc/52/99/03/975529903.db2.gz UHBODUNUEHZVGT-PXAZEXFGSA-N -1 0 349.789 3.758 20 0 EHADRM Cc1ccc(-c2nc(CN3Cc4ccccc4[C@@H](C(=O)[O-])C3)co2)cc1 ZINC000652470585 975543315 /nfs/dbraw/zinc/54/33/15/975543315.db2.gz AYMKCOMDVUCZEN-IBGZPJMESA-N -1 0 348.402 3.834 20 0 EHADRM CC(C)COc1ccccc1NC(=O)c1cccc(CC(=O)[O-])c1 ZINC000653637023 975599280 /nfs/dbraw/zinc/59/92/80/975599280.db2.gz AQYWPOPULZRROY-UHFFFAOYSA-N -1 0 327.380 3.601 20 0 EHADRM CC(C)Oc1cccc([C@@H](C)NC(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC000653637859 975601242 /nfs/dbraw/zinc/60/12/42/975601242.db2.gz FIXVKQHLVANUJJ-CQSZACIVSA-N -1 0 341.407 3.592 20 0 EHADRM CC(C)(Cc1ccccc1Cl)NC(=O)c1cccc(CC(=O)[O-])c1 ZINC000653639993 975606216 /nfs/dbraw/zinc/60/62/16/975606216.db2.gz CKZOJALPLCKHGP-UHFFFAOYSA-N -1 0 345.826 3.718 20 0 EHADRM COc1cc(NC(=O)CCCCC(=O)[O-])c(C2CC2)cc1Cl ZINC000655596345 975631844 /nfs/dbraw/zinc/63/18/44/975631844.db2.gz DIDFNIYMPDBXBI-UHFFFAOYSA-N -1 0 325.792 3.810 20 0 EHADRM CC[C@H](C)c1nc(C)c(CC(=O)Nc2cc(C(=O)[O-])cs2)c(C)n1 ZINC000656238564 975653446 /nfs/dbraw/zinc/65/34/46/975653446.db2.gz PMIOXEHLENTJQK-VIFPVBQESA-N -1 0 347.440 3.548 20 0 EHADRM O=C([O-])c1cccc(CN2CCOC[C@@H]2c2cccc(F)c2)c1Cl ZINC000656766514 975699635 /nfs/dbraw/zinc/69/96/35/975699635.db2.gz WJHCEHDJZSQYBN-MRXNPFEDSA-N -1 0 349.789 3.751 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(NCC[C@]3(C)CC3(F)F)c12 ZINC000656785260 975706745 /nfs/dbraw/zinc/70/67/45/975706745.db2.gz VXSDIBXUCJPMBW-CQSZACIVSA-N -1 0 341.383 3.854 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[C@H](Cc2ccc(C)cc2)C1 ZINC000659122240 975722183 /nfs/dbraw/zinc/72/21/83/975722183.db2.gz QEIPGWQHQGSKCX-MRXNPFEDSA-N -1 0 341.407 3.690 20 0 EHADRM C[C@H](CN(C)C(=O)[C@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)[O-] ZINC000659130052 975729070 /nfs/dbraw/zinc/72/90/70/975729070.db2.gz CMWUBJMPZRAUHL-CXAGYDPISA-N -1 0 345.826 3.651 20 0 EHADRM CC(C)C[C@H](C(=O)N(C)C[C@H](C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000659131061 975732106 /nfs/dbraw/zinc/73/21/06/975732106.db2.gz OAWIZYMTSLERPG-WFASDCNBSA-N -1 0 325.836 3.649 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)C2CC3(C2)CCCCC3)Cc2ccccc21 ZINC000659142559 975741808 /nfs/dbraw/zinc/74/18/08/975741808.db2.gz FAGKSHNDQAVNAW-KRWDZBQOSA-N -1 0 327.424 3.558 20 0 EHADRM C[C@@H](CN(C(=O)c1cc(Cl)cc2ccccc21)C1CC1)C(=O)[O-] ZINC000659141634 975742084 /nfs/dbraw/zinc/74/20/84/975742084.db2.gz DFDYZBHVOXEJBB-NSHDSACASA-N -1 0 331.799 3.819 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)C(C)(C)CC(F)(F)F)cc1)C(=O)[O-] ZINC000659148383 975749114 /nfs/dbraw/zinc/74/91/14/975749114.db2.gz YWSMHTRHTQPMFW-JTQLQIEISA-N -1 0 331.334 3.867 20 0 EHADRM CCC[C@@H]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000659150082 975751626 /nfs/dbraw/zinc/75/16/26/975751626.db2.gz SELXYOFCZUYOLK-NRSFXHEJSA-N -1 0 329.440 3.530 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000659160780 975760678 /nfs/dbraw/zinc/76/06/78/975760678.db2.gz JJFRWFBCUMCZOK-KGLIPLIRSA-N -1 0 345.361 3.680 20 0 EHADRM CC(C)Oc1c(NC(=O)N2CCC[C@@H]3CCC[C@H]32)cccc1C(=O)[O-] ZINC001591743800 975762852 /nfs/dbraw/zinc/76/28/52/975762852.db2.gz CZCRCNCEGGDVED-XJKSGUPXSA-N -1 0 346.427 3.968 20 0 EHADRM C[C@@H](C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21)c1ccccc1 ZINC000659181546 975775740 /nfs/dbraw/zinc/77/57/40/975775740.db2.gz INSAWGSGPBTLEZ-KDOFPFPSSA-N -1 0 337.419 3.725 20 0 EHADRM C[C@H](CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21)c1cccc(F)c1 ZINC000659192797 975791801 /nfs/dbraw/zinc/79/18/01/975791801.db2.gz GSMRCCZTHGGZCY-XFKAJCMBSA-N -1 0 347.430 3.811 20 0 EHADRM O=C([O-])C[C@H](CNC(=O)CCCc1csc2ccccc12)C1CC1 ZINC000659210414 975822323 /nfs/dbraw/zinc/82/23/23/975822323.db2.gz SSEJSOCDQUZTHF-OAHLLOKOSA-N -1 0 345.464 3.841 20 0 EHADRM Cc1oc2ccccc2c1CNC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000659401098 975846193 /nfs/dbraw/zinc/84/61/93/975846193.db2.gz DWCJTBHICYFEQC-UHFFFAOYSA-N -1 0 344.411 3.528 20 0 EHADRM CC(C)Oc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2Cl)cn1 ZINC001591773376 975913313 /nfs/dbraw/zinc/91/33/13/975913313.db2.gz ZIPJZFBFTCUNJQ-OAHLLOKOSA-N -1 0 349.770 3.505 20 0 EHADRM CC(C)Oc1ccc(Cl)cc1C(=O)OCc1ccc(C(=O)[O-])cn1 ZINC001591778029 975935414 /nfs/dbraw/zinc/93/54/14/975935414.db2.gz JERWQUUGGSEJAC-UHFFFAOYSA-N -1 0 349.770 3.577 20 0 EHADRM CC(C)Oc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC001591778332 975938958 /nfs/dbraw/zinc/93/89/58/975938958.db2.gz VJRJNTSKUJOADM-UHFFFAOYSA-N -1 0 349.770 3.783 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2ccc(SC3CCCC3)cc2)CC1 ZINC000663340640 975944921 /nfs/dbraw/zinc/94/49/21/975944921.db2.gz HZCBDHZENNNOPA-UHFFFAOYSA-N -1 0 334.441 3.708 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@@H]2CCC(F)(F)C2)c(C(=O)[O-])c1 ZINC001591780528 975945288 /nfs/dbraw/zinc/94/52/88/975945288.db2.gz KIGSSVHSMZVLJW-SNVBAGLBSA-N -1 0 327.327 3.546 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)Cc3ccccc3C(=O)[O-])C2)cc1 ZINC000668300195 975991590 /nfs/dbraw/zinc/99/15/90/975991590.db2.gz DJAAMMGEIXSMRH-CRAIPNDOSA-N -1 0 337.419 3.640 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000668323354 975997984 /nfs/dbraw/zinc/99/79/84/975997984.db2.gz VYGDBGZTWOOYRO-JKOKRWQUSA-N -1 0 343.345 3.569 20 0 EHADRM CC[C@@H]1CC[C@H](C)N(C(=O)c2ccccc2S[C@@H](C)C(=O)[O-])C1 ZINC000668325499 975999244 /nfs/dbraw/zinc/99/92/44/975999244.db2.gz VATOOXVCJIAJPT-MELADBBJSA-N -1 0 335.469 3.903 20 0 EHADRM CC(C)Oc1cccc(NC(=O)c2ccccc2CCC(=O)[O-])c1 ZINC001591795692 976000970 /nfs/dbraw/zinc/00/09/70/976000970.db2.gz DSAGVWAUNIWQSU-UHFFFAOYSA-N -1 0 327.380 3.743 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000669435889 976003120 /nfs/dbraw/zinc/00/31/20/976003120.db2.gz TXPBRTSUIFFSDT-SUMWQHHRSA-N -1 0 341.382 3.609 20 0 EHADRM Cc1ccc(CCC(=O)N(CCC(=O)[O-])Cc2ccccc2)c(C)c1 ZINC000675946260 976016541 /nfs/dbraw/zinc/01/65/41/976016541.db2.gz ARJWQXQHDIKOEQ-UHFFFAOYSA-N -1 0 339.435 3.740 20 0 EHADRM Cc1oc(CN(C)C(=O)CCc2ccc([C@H]3C[C@H]3C)o2)cc1C(=O)[O-] ZINC000676002483 976026951 /nfs/dbraw/zinc/02/69/51/976026951.db2.gz RJJUAQIYAVUCGZ-ABAIWWIYSA-N -1 0 345.395 3.594 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)C[C@@H]2CCCC[C@@H]2C)cc1 ZINC000678973960 976032460 /nfs/dbraw/zinc/03/24/60/976032460.db2.gz QPIRMRHJQPISHY-QRTARXTBSA-N -1 0 333.428 3.544 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2[nH]c3ccccc3c2Cl)C1 ZINC000679100554 976042181 /nfs/dbraw/zinc/04/21/81/976042181.db2.gz JQWLQAVUTXTBRO-LLVKDONJSA-N -1 0 334.803 3.538 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(C2CCC2)cc1)c1cccs1 ZINC000685019798 976093533 /nfs/dbraw/zinc/09/35/33/976093533.db2.gz ZYKXOQYDTGSOBK-OAHLLOKOSA-N -1 0 329.421 3.961 20 0 EHADRM CC(C)c1cc(C(=O)NC[C@H](CC2CC2)C(=O)[O-])c2ccccc2n1 ZINC001591930531 976420282 /nfs/dbraw/zinc/42/02/82/976420282.db2.gz KQMUOEVQAPROOT-AWEZNQCLSA-N -1 0 340.423 3.589 20 0 EHADRM CC(C)c1ccc(-c2nc(C(=O)O[C@@H](C(=O)[O-])C3CC3)cs2)cc1 ZINC001591936352 976459812 /nfs/dbraw/zinc/45/98/12/976459812.db2.gz UZPDTAQKTUNMPW-OAHLLOKOSA-N -1 0 345.420 3.954 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1Cl ZINC001591943227 976476975 /nfs/dbraw/zinc/47/69/75/976476975.db2.gz ORGKFWOWMGGDCJ-QGZVFWFLSA-N -1 0 345.826 3.889 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)c(O)c1 ZINC001591947181 976489525 /nfs/dbraw/zinc/48/95/25/976489525.db2.gz HCSQEEUQCCXGGU-UHFFFAOYSA-N -1 0 348.424 3.587 20 0 EHADRM CC(C)c1ccc(CSCC(=O)Nc2cccc(C(=O)[O-])n2)cc1 ZINC001591957463 976529256 /nfs/dbraw/zinc/52/92/56/976529256.db2.gz JYJGAJGWNBBVOE-UHFFFAOYSA-N -1 0 344.436 3.775 20 0 EHADRM CC(C)c1ccc(CS[C@H]2CCCN(CCC(=O)[O-])C2=O)cc1 ZINC001591957614 976531509 /nfs/dbraw/zinc/53/15/09/976531509.db2.gz SYEXNLYNTAHQFE-INIZCTEOSA-N -1 0 335.469 3.509 20 0 EHADRM CC(C)c1ccc(NC(=O)c2c3ccccc3nn2C)c(C(=O)[O-])c1 ZINC001591968162 976565314 /nfs/dbraw/zinc/56/53/14/976565314.db2.gz JRJKFNQRXYLIHJ-UHFFFAOYSA-N -1 0 337.379 3.647 20 0 EHADRM CC(C)c1ccc(SCC(=O)N2CCC[C@](C)(C(=O)[O-])C2)cc1 ZINC001591973497 976576041 /nfs/dbraw/zinc/57/60/41/976576041.db2.gz BNAQTJGCYHUCFT-SFHVURJKSA-N -1 0 335.469 3.615 20 0 EHADRM CC(C)c1ccc(OCC(=O)Nc2cc(C(=O)[O-])cnc2Cl)cc1 ZINC001591974190 976586512 /nfs/dbraw/zinc/58/65/12/976586512.db2.gz QVVDXENYINZKOJ-UHFFFAOYSA-N -1 0 348.786 3.574 20 0 EHADRM CC(C)c1nc(C(=O)N(Cc2ccccc2)C(C)(C)C(=O)[O-])cs1 ZINC001592008198 976675080 /nfs/dbraw/zinc/67/50/80/976675080.db2.gz HSAWSCZNPUXANC-UHFFFAOYSA-N -1 0 346.452 3.772 20 0 EHADRM CC(C)c1nc([C@@H]2CCCCN2Cc2ccccc2CC(=O)[O-])no1 ZINC001592015297 976697943 /nfs/dbraw/zinc/69/79/43/976697943.db2.gz MEIOECADXRPCKR-INIZCTEOSA-N -1 0 343.427 3.547 20 0 EHADRM CC(C)c1nc(NC(=O)C2(c3ccc(F)cc3)CC2)sc1C(=O)[O-] ZINC001592021362 976713691 /nfs/dbraw/zinc/71/36/91/976713691.db2.gz CDQYSLXRROXXIG-UHFFFAOYSA-N -1 0 348.399 3.774 20 0 EHADRM CC(C)c1nsc(CN[C@@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)n1 ZINC001592105392 976877494 /nfs/dbraw/zinc/87/74/94/976877494.db2.gz DZOYMTHXVUDWBY-SGTLLEGYSA-N -1 0 345.468 3.629 20 0 EHADRM CC(C)c1scnc1C(=O)OCc1cccc(C(=O)[O-])c1Cl ZINC001592118074 976923665 /nfs/dbraw/zinc/92/36/65/976923665.db2.gz YNNSPJNXBMXXLG-UHFFFAOYSA-N -1 0 339.800 3.975 20 0 EHADRM CC(C)n1ncc2c1[C@H](N[C@H](C(=O)[O-])c1ccccc1Cl)CCC2 ZINC001592157034 977031841 /nfs/dbraw/zinc/03/18/41/977031841.db2.gz DFCKJJVLRQFTDF-CVEARBPZSA-N -1 0 347.846 3.910 20 0 EHADRM CC(C)n1ncc2c1[C@H](N[C@@H](C(=O)[O-])c1ccccc1Cl)CCC2 ZINC001592157036 977032208 /nfs/dbraw/zinc/03/22/08/977032208.db2.gz DFCKJJVLRQFTDF-HZPDHXFCSA-N -1 0 347.846 3.910 20 0 EHADRM CC(C)n1ncc2cc(NC(=O)c3cc(F)cc(C(=O)[O-])c3)ccc21 ZINC001592163140 977048829 /nfs/dbraw/zinc/04/88/29/977048829.db2.gz RFUFSRCVXLGLFY-UHFFFAOYSA-N -1 0 341.342 3.707 20 0 EHADRM C[C@@H](/C=C\C(=O)[O-])NC(=O)CCCCc1ccc(Cl)c(Cl)c1 ZINC001592189421 977118041 /nfs/dbraw/zinc/11/80/41/977118041.db2.gz ABZRKAXRQHKSIR-WDDYJBPVSA-N -1 0 344.238 3.852 20 0 EHADRM C[C@H](CC(=O)N1C[C@H](C(=O)[O-])c2ccccc21)c1c[nH]c2ccccc21 ZINC001592228175 977428967 /nfs/dbraw/zinc/42/89/67/977428967.db2.gz ZSOYFSMSSZWPTQ-DYVFJYSZSA-N -1 0 348.402 3.877 20 0 EHADRM C[C@H](CC(=O)N[C@H](C(=O)[O-])c1cccs1)c1c[nH]c2ccccc21 ZINC001592240011 977451121 /nfs/dbraw/zinc/45/11/21/977451121.db2.gz JVKHGJLJWFQPOO-DIFFPNOSSA-N -1 0 342.420 3.665 20 0 EHADRM C[C@H](CC(=O)N[C@H](CC(C)(C)C)C(=O)[O-])Cc1ccc(Cl)cc1 ZINC001592242452 977461323 /nfs/dbraw/zinc/46/13/23/977461323.db2.gz IDODKTFMUCLHBH-SWLSCSKDSA-N -1 0 339.863 3.914 20 0 EHADRM C[C@@H](CC(=O)NC[C@H](CC1CCCC1)C(=O)[O-])c1cccc(F)c1 ZINC001592254344 977489540 /nfs/dbraw/zinc/48/95/40/977489540.db2.gz FUZJAVLMBAPUSE-BBRMVZONSA-N -1 0 335.419 3.717 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)CCCCCc1ccc(F)cc1)C1CC1 ZINC001592280226 977567684 /nfs/dbraw/zinc/56/76/84/977567684.db2.gz BPFCOUVDEAEKEX-LJQANCHMSA-N -1 0 335.419 3.688 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])C1(c2ccccc2)CCOCC1 ZINC000274648933 1014411255 /nfs/dbraw/zinc/41/12/55/1014411255.db2.gz DSDYONSLWYWXFS-UHFFFAOYSA-N -1 0 349.789 3.872 20 0 EHADRM O=C([O-])[C@@H]1CC(F)(F)CN1Cc1ccc(OCc2ccccc2)cc1 ZINC000713564149 977648551 /nfs/dbraw/zinc/64/85/51/977648551.db2.gz HTIOQKAUBBSEFB-KRWDZBQOSA-N -1 0 347.361 3.560 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000654798720 1014420408 /nfs/dbraw/zinc/42/04/08/1014420408.db2.gz YVRSVZZEGSEFBG-HNNXBMFYSA-N -1 0 344.333 3.653 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)NCC(C)(C)c1ccc(C(C)(C)C)cc1 ZINC001592385536 977930108 /nfs/dbraw/zinc/93/01/08/977930108.db2.gz ZFBDHLWVUFMJRT-AWEZNQCLSA-N -1 0 333.472 3.879 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)O[C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC001592394644 977945781 /nfs/dbraw/zinc/94/57/81/977945781.db2.gz DFCXJPWKNCBTAX-NOZJJQNGSA-N -1 0 346.301 3.617 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(Oc2ccncc2)c(Cl)c1 ZINC001592394944 977949203 /nfs/dbraw/zinc/94/92/03/977949203.db2.gz OVTTYVPBQIHOLP-NSHDSACASA-N -1 0 348.786 3.967 20 0 EHADRM C[C@@H](CC(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21)c1ccncc1 ZINC001592430204 978061816 /nfs/dbraw/zinc/06/18/16/978061816.db2.gz WBAFNUSSLQIGAV-UGSOOPFHSA-N -1 0 339.391 3.894 20 0 EHADRM C[C@H](CC(=O)OCc1ccc(C(=O)[O-])c(Cl)c1)c1ccncc1 ZINC001592433258 978065461 /nfs/dbraw/zinc/06/54/61/978065461.db2.gz DUBWNJMKKPQXIS-LLVKDONJSA-N -1 0 333.771 3.670 20 0 EHADRM C[C@H](CC(=O)OCc1c(Cl)cccc1C(=O)[O-])c1ccc(N)cc1 ZINC001592434129 978072270 /nfs/dbraw/zinc/07/22/70/978072270.db2.gz TWLFQLQJPYRCLK-LLVKDONJSA-N -1 0 347.798 3.857 20 0 EHADRM C[C@H](CC(F)(F)F)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001592451352 978135599 /nfs/dbraw/zinc/13/55/99/978135599.db2.gz BMALPAOVUKBLAX-RXMQYKEDSA-N -1 0 327.661 3.704 20 0 EHADRM C[C@H](CCC(=O)N[C@](C)(C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC001592471114 978229821 /nfs/dbraw/zinc/22/98/21/978229821.db2.gz PXYCLUCBCGVLFO-VLIAUNLRSA-N -1 0 343.398 3.826 20 0 EHADRM C[C@H](CCC(C)(C)C)C(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001592477590 978245422 /nfs/dbraw/zinc/24/54/22/978245422.db2.gz LSQNJSUNDVTVEW-CZJPOVKDSA-N -1 0 341.517 3.694 20 0 EHADRM C[C@](CCF)(NC(=O)c1ccc2c(c1)oc1ccccc12)C(=O)[O-] ZINC001592497380 978299202 /nfs/dbraw/zinc/29/92/02/978299202.db2.gz HUMRBJHFESSCGT-GOSISDBHSA-N -1 0 329.327 3.519 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)C=C1CCC(C)CC1 ZINC000737873806 978452402 /nfs/dbraw/zinc/45/24/02/978452402.db2.gz SGXNKRIGWXAETD-QHDOCQFZSA-N -1 0 330.380 3.835 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1CC(C)(C)C)C(=O)[O-] ZINC001592605181 978550327 /nfs/dbraw/zinc/55/03/27/978550327.db2.gz IZPLLMVZFANBSV-BHYGNILZSA-N -1 0 331.456 3.808 20 0 EHADRM Cc1ccc(OC(=O)COc2cccc3ccccc32)c(C(=O)[O-])c1 ZINC000738640861 978579554 /nfs/dbraw/zinc/57/95/54/978579554.db2.gz OZRKJKFLKRNKOB-UHFFFAOYSA-N -1 0 336.343 3.831 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1oc2ccccc2c1CSC ZINC000746691338 978685548 /nfs/dbraw/zinc/68/55/48/978685548.db2.gz YBLXLPHRSSFHRH-LLVKDONJSA-N -1 0 335.425 3.621 20 0 EHADRM Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000753854979 978694393 /nfs/dbraw/zinc/69/43/93/978694393.db2.gz UASCJEFHOGPFHO-UHFFFAOYSA-N -1 0 348.402 3.660 20 0 EHADRM C/C(=C\c1cccc(Cl)c1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000761689674 978714793 /nfs/dbraw/zinc/71/47/93/978714793.db2.gz OFIYRDBRSUOANL-XYOKQWHBSA-N -1 0 329.783 3.758 20 0 EHADRM O=C([O-])CN(C(=O)/C=C/c1nc2ccccc2s1)C1CCCCC1 ZINC000767025621 978731831 /nfs/dbraw/zinc/73/18/31/978731831.db2.gz PWSPNBHMUJKKNI-ZHACJKMWSA-N -1 0 344.436 3.555 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)N[C@@](C)(CC)CC(=O)[O-] ZINC000767051488 978732263 /nfs/dbraw/zinc/73/22/63/978732263.db2.gz LBSPRAFIEVYMPJ-IOMGTLSNSA-N -1 0 333.428 3.637 20 0 EHADRM Cc1cc(C)c(/C=C/C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1C ZINC000777364885 978776868 /nfs/dbraw/zinc/77/68/68/978776868.db2.gz FWQVMAAMEJRNTJ-NDDJGDGRSA-N -1 0 349.430 3.836 20 0 EHADRM CC/C(=C/C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccc(C)cc1 ZINC000777368866 978777562 /nfs/dbraw/zinc/77/75/62/978777562.db2.gz UOOYCTGIVRYGMW-VMTBQTDASA-N -1 0 349.430 3.999 20 0 EHADRM Cc1oc(C)c(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c1C ZINC000795524941 978832742 /nfs/dbraw/zinc/83/27/42/978832742.db2.gz QWYFARICJASXIK-AWEZNQCLSA-N -1 0 335.787 3.804 20 0 EHADRM CN(Cc1ccccc1Cl)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811813792 978856879 /nfs/dbraw/zinc/85/68/79/978856879.db2.gz HFGKAIHTGUIBPB-UHFFFAOYSA-N -1 0 338.190 3.964 20 0 EHADRM CN(Cc1ccc(F)cc1F)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811814740 978857560 /nfs/dbraw/zinc/85/75/60/978857560.db2.gz SCUZZTLTLOLOIV-UHFFFAOYSA-N -1 0 339.725 3.589 20 0 EHADRM CC[C@@H](NC(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccc(OC)cc1 ZINC000811814517 978857583 /nfs/dbraw/zinc/85/75/83/978857583.db2.gz YCIBDOLSOQCDPN-MRXNPFEDSA-N -1 0 347.798 3.928 20 0 EHADRM CC(C)Oc1ccc(CNC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000811814995 978858393 /nfs/dbraw/zinc/85/83/93/978858393.db2.gz XVUWXRHXBVGYEV-UHFFFAOYSA-N -1 0 347.798 3.755 20 0 EHADRM COc1ccc([C@H](C)N(C)C(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000811815041 978858513 /nfs/dbraw/zinc/85/85/13/978858513.db2.gz ZOVWZNJXZJDBKG-NSHDSACASA-N -1 0 347.798 3.880 20 0 EHADRM CCc1ccc(CCNC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000811818285 978862361 /nfs/dbraw/zinc/86/23/61/978862361.db2.gz KFIARHSCHNPVAT-UHFFFAOYSA-N -1 0 331.799 3.573 20 0 EHADRM Cc1ccc(CN(C(=O)c2cc(C(=O)[O-])ccc2Cl)C2CC2)o1 ZINC000811819700 978863915 /nfs/dbraw/zinc/86/39/15/978863915.db2.gz GKKIREULDMJFCN-UHFFFAOYSA-N -1 0 333.771 3.744 20 0 EHADRM CC(C)c1nnc(CCC(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])o1 ZINC000827124427 978953103 /nfs/dbraw/zinc/95/31/03/978953103.db2.gz LXWRVNWKGVNSOS-UHFFFAOYSA-N -1 0 345.399 3.586 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCCC[C@@H]2/C=C\c2ccccc2)C1 ZINC000827939227 978967508 /nfs/dbraw/zinc/96/75/08/978967508.db2.gz WLJGKRXIXSRIBW-SRMAODANSA-N -1 0 341.451 3.972 20 0 EHADRM COc1ccccc1CN(C/C=C(\C)C(=O)[O-])Cc1cccs1 ZINC000832614287 979047600 /nfs/dbraw/zinc/04/76/00/979047600.db2.gz YQBDTZLGGKMXAS-NTEUORMPSA-N -1 0 331.437 3.790 20 0 EHADRM Cc1cc(F)cc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])c1 ZINC000832887625 979052801 /nfs/dbraw/zinc/05/28/01/979052801.db2.gz ROEYPZZNZQORKH-MRXNPFEDSA-N -1 0 329.371 3.716 20 0 EHADRM CC[C@H](C)c1ccccc1OS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC001595016338 979070203 /nfs/dbraw/zinc/07/02/03/979070203.db2.gz ULHWNIWZDLRDKE-LBPRGKRZSA-N -1 0 348.420 3.974 20 0 EHADRM O=C([O-])C[C@H]1CCCN1Cn1c2cc(Cl)ccc2oc1=S ZINC000833211515 979119078 /nfs/dbraw/zinc/11/90/78/979119078.db2.gz JAYQZEDLDTZMHU-SNVBAGLBSA-N -1 0 326.805 3.514 20 0 EHADRM CC[C@H](CC(=O)N[C@H](C)[C@@H](Cc1ccccc1)C(=O)[O-])C(C)(C)C ZINC001595034134 979181047 /nfs/dbraw/zinc/18/10/47/979181047.db2.gz ZWQDLLWDABZOGH-DJIMGWMZSA-N -1 0 333.472 3.897 20 0 EHADRM CC(C)(C)Oc1cc(F)ccc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000833455823 979187791 /nfs/dbraw/zinc/18/77/91/979187791.db2.gz YDSNCFJKSNVRBH-UHFFFAOYSA-N -1 0 325.380 3.833 20 0 EHADRM CC[C@@H](CC(=O)OCC(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001595036371 979193696 /nfs/dbraw/zinc/19/36/96/979193696.db2.gz BYBCTQBLQCTTQB-AWEZNQCLSA-N -1 0 340.375 3.695 20 0 EHADRM CC[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1N)c1ccc(C)cc1 ZINC001595037263 979204936 /nfs/dbraw/zinc/20/49/36/979204936.db2.gz WJFBYHIJSTXNSD-ZDUSSCGKSA-N -1 0 326.396 3.798 20 0 EHADRM C[C@@H]1CC(C)(C)c2ccccc2N1Cc1noc(CCCC(=O)[O-])n1 ZINC000833589497 979206847 /nfs/dbraw/zinc/20/68/47/979206847.db2.gz LRVLWUWGLZJHAU-CYBMUJFWSA-N -1 0 343.427 3.553 20 0 EHADRM CC[C@H](CC(F)(F)F)NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001595042850 979239622 /nfs/dbraw/zinc/23/96/22/979239622.db2.gz WKMNMNLCLWEDAH-SSDOTTSWSA-N -1 0 338.713 3.891 20 0 EHADRM CC[C@H](CC(F)(F)F)NC(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC001595042835 979239795 /nfs/dbraw/zinc/23/97/95/979239795.db2.gz WCCHHVVKWASTKZ-SNVBAGLBSA-N -1 0 332.322 3.854 20 0 EHADRM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)/C=C\C2CCCCC2)c1 ZINC000836758204 979269307 /nfs/dbraw/zinc/26/93/07/979269307.db2.gz INYXICNFOFGKOB-ZCPJJFRWSA-N -1 0 345.439 3.638 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Cc1cc2cc(Cl)ccc2[nH]1 ZINC001595050778 979280584 /nfs/dbraw/zinc/28/05/84/979280584.db2.gz CIRCDMGVVKYKOK-UHFFFAOYSA-N -1 0 336.819 3.514 20 0 EHADRM CCC(CC)(CCOC(=O)c1cnn(C(C)C)c1Cl)C(=O)[O-] ZINC001595059544 979307776 /nfs/dbraw/zinc/30/77/76/979307776.db2.gz FICXFGOWEXVIHL-UHFFFAOYSA-N -1 0 330.812 3.555 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccc3nc(Cl)ccc3c2)C1 ZINC000842764668 979327851 /nfs/dbraw/zinc/32/78/51/979327851.db2.gz IFIJMKCXPFLQAP-LBPRGKRZSA-N -1 0 346.814 3.605 20 0 EHADRM C[C@](COC(=O)[C@H]1CC[C@H](C(F)(F)F)C1)(C(=O)[O-])c1ccccc1 ZINC001592763737 979364495 /nfs/dbraw/zinc/36/44/95/979364495.db2.gz HGEBOOBTQFWNSS-DETPVDSQSA-N -1 0 344.329 3.551 20 0 EHADRM CCC(CC)(CNc1nn2cc(-c3ccccc3)nc2s1)C(=O)[O-] ZINC001595088463 979377483 /nfs/dbraw/zinc/37/74/83/979377483.db2.gz HSHCOTGTNUDHQY-UHFFFAOYSA-N -1 0 344.440 3.761 20 0 EHADRM CCC(CC)CC(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC001595109485 979442662 /nfs/dbraw/zinc/44/26/62/979442662.db2.gz CUKLDPASAHUCQU-UHFFFAOYSA-N -1 0 329.400 3.644 20 0 EHADRM CCC(CC)[C@H]1C[C@@H](NC(=O)Nc2ccc(C(=O)[O-])s2)CCO1 ZINC001595110344 979455839 /nfs/dbraw/zinc/45/58/39/979455839.db2.gz YZYFEYHVEDQRKR-NWDGAFQWSA-N -1 0 340.445 3.552 20 0 EHADRM CCC(CC)N(C(=O)Nc1cnc(C(=O)[O-])c(Cl)c1)C1CC1 ZINC001595114407 979463716 /nfs/dbraw/zinc/46/37/16/979463716.db2.gz KMCDRKZEUOYILV-UHFFFAOYSA-N -1 0 325.796 3.618 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])C2CC2)sc1-c1ccccc1 ZINC000848878225 979483642 /nfs/dbraw/zinc/48/36/42/979483642.db2.gz XASRNKVMSBINCH-AWEZNQCLSA-N -1 0 329.421 3.707 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)N2CCCCC[C@@H]2C(=O)[O-])cc1 ZINC001595121299 979488642 /nfs/dbraw/zinc/48/86/42/979488642.db2.gz HSIKTGOYYDVJOA-QGZVFWFLSA-N -1 0 333.428 3.723 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@H](C)c1ccccc1C(F)(F)F ZINC000851595624 979509399 /nfs/dbraw/zinc/50/93/99/979509399.db2.gz OWXPCKHFZIGARP-MRVPVSSYSA-N -1 0 341.285 3.796 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1ccc(/C=C\C(=O)[O-])o1)c1cccs1 ZINC000851596333 979510857 /nfs/dbraw/zinc/51/08/57/979510857.db2.gz UWWPTJGXFAFZNX-FWPCIQOSSA-N -1 0 333.409 3.956 20 0 EHADRM CCC[C@@H](Cc1ccccc1)NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851596594 979510920 /nfs/dbraw/zinc/51/09/20/979510920.db2.gz STGZAFBDQKCHKB-WQTVUKCASA-N -1 0 327.380 3.519 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(/C=C/C(=O)[O-])o2)CC12CCCCC2 ZINC000851603043 979524415 /nfs/dbraw/zinc/52/44/15/979524415.db2.gz HPUIFLWORTWMEV-IZPAUZPXSA-N -1 0 331.412 3.810 20 0 EHADRM O=C([O-])[C@@H](NC(=O)C1CC2(CC2(F)F)C1)c1ccc2ccccc2c1 ZINC000851603090 979524472 /nfs/dbraw/zinc/52/44/72/979524472.db2.gz IQMPLGRJBOZLGH-CSLYMUCUSA-N -1 0 345.345 3.517 20 0 EHADRM C[C@@H](CSCc1ccccc1)C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC001592825465 979543143 /nfs/dbraw/zinc/54/31/43/979543143.db2.gz ILBBECHTLSLZLM-HNNXBMFYSA-N -1 0 349.496 3.802 20 0 EHADRM CC[C@](CNC(=O)C1(C)CCC(C)CC1)(C(=O)[O-])c1ccccc1 ZINC001595138688 979583546 /nfs/dbraw/zinc/58/35/46/979583546.db2.gz MKABWRMEBSWRSH-RGKRWLCDSA-N -1 0 331.456 3.752 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2c2ccccc2)Cc2ccccc21 ZINC000852957283 979590244 /nfs/dbraw/zinc/59/02/44/979590244.db2.gz MUAVOTUEXSQDNR-MISYRCLQSA-N -1 0 349.430 3.781 20 0 EHADRM C[C@H]1CN(c2ccc3ccc(Br)cc3n2)CC[C@H]1C(=O)[O-] ZINC000863734813 979675485 /nfs/dbraw/zinc/67/54/85/979675485.db2.gz UQWLTSSVIXDEBD-GXFFZTMASA-N -1 0 349.228 3.544 20 0 EHADRM CCOc1ccc(NC(=O)c2ccc(C)c(C(=O)[O-])c2)cc1OCC ZINC000864099885 979682790 /nfs/dbraw/zinc/68/27/90/979682790.db2.gz MATCJXBGPRCCFN-UHFFFAOYSA-N -1 0 343.379 3.743 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)/C=C\c2ccc(C(=O)[O-])o2)o1 ZINC000864113497 979705021 /nfs/dbraw/zinc/70/50/21/979705021.db2.gz UPJHJTHZDRIIDK-SUAHEPBESA-N -1 0 343.379 3.892 20 0 EHADRM CCC[C@@](C)(NC(=O)/C=C\c1csc(C(F)(F)F)c1)C(=O)[O-] ZINC000864113173 979705081 /nfs/dbraw/zinc/70/50/81/979705081.db2.gz PVHUQUKGWPGVPE-DSYXLKISSA-N -1 0 335.347 3.540 20 0 EHADRM COc1cc(C)cc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)c1C ZINC000864115831 979708400 /nfs/dbraw/zinc/70/84/00/979708400.db2.gz ZRZCCJOGIYQQHH-QGZVFWFLSA-N -1 0 341.407 3.648 20 0 EHADRM CC(C)n1ncc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1Cl ZINC000864135658 979738248 /nfs/dbraw/zinc/73/82/48/979738248.db2.gz NQDVUFPAOKJMCU-NSHDSACASA-N -1 0 349.818 3.633 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)NC/C=C\c2ccccc2)cc1)C(=O)[O-] ZINC001592874321 979739362 /nfs/dbraw/zinc/73/93/62/979739362.db2.gz ZFOKLBYVBUCFSI-GTBONMDNSA-N -1 0 338.407 3.785 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)NC/C=C\c2ccccc2)cc1)C(=O)[O-] ZINC001592874322 979739619 /nfs/dbraw/zinc/73/96/19/979739619.db2.gz ZFOKLBYVBUCFSI-KKTNHOPESA-N -1 0 338.407 3.785 20 0 EHADRM C[C@@H](CCc1ccc(F)cc1)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000864137659 979741374 /nfs/dbraw/zinc/74/13/74/979741374.db2.gz FTOYYKXBPOJTAZ-SUMWQHHRSA-N -1 0 341.382 3.609 20 0 EHADRM COc1ccccc1-c1ccc(C(=O)N2CCC[C@@]2(C)C(=O)[O-])s1 ZINC000864140310 979745417 /nfs/dbraw/zinc/74/54/17/979745417.db2.gz OFRIPVFSSXPUQR-SFHVURJKSA-N -1 0 345.420 3.503 20 0 EHADRM CCCN(CCc1cccs1)C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000864144245 979749617 /nfs/dbraw/zinc/74/96/17/979749617.db2.gz QLWKRHKFIAQNIN-AATRIKPKSA-N -1 0 333.409 3.534 20 0 EHADRM C[C@H](Cc1ccc(Nc2nc3ccccc3nc2F)cc1)C(=O)[O-] ZINC001592882780 979754796 /nfs/dbraw/zinc/75/47/96/979754796.db2.gz ITEKGOKHKBRHPA-LLVKDONJSA-N -1 0 325.343 3.776 20 0 EHADRM C[C@@H](Cc1ccc(Nc2ncccc2Br)cc1)C(=O)[O-] ZINC001592884019 979764814 /nfs/dbraw/zinc/76/48/14/979764814.db2.gz YQZSWAQMLWACJU-JTQLQIEISA-N -1 0 335.201 3.851 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)/C=C\c3cc(C(=O)[O-])co3)C2)cc1 ZINC000864157246 979769029 /nfs/dbraw/zinc/76/90/29/979769029.db2.gz ITOPDVLBDYACLF-HJYQMELSSA-N -1 0 339.391 3.704 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)/C=C/c3cc(C(=O)[O-])co3)C2)cc1 ZINC000864157248 979769415 /nfs/dbraw/zinc/76/94/15/979769415.db2.gz ITOPDVLBDYACLF-WIPWUNCGSA-N -1 0 339.391 3.704 20 0 EHADRM O=C([O-])CN(C(=O)/C=C\c1csc(C(F)(F)F)c1)C1CCCC1 ZINC000864158118 979769929 /nfs/dbraw/zinc/76/99/29/979769929.db2.gz AXBHOXRLPJYVCA-WAYWQWQTSA-N -1 0 347.358 3.636 20 0 EHADRM CCCC[C@](C)(F)C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC000864170377 979798370 /nfs/dbraw/zinc/79/83/70/979798370.db2.gz DOVZUBPMZWRMLF-HWPZZCPQSA-N -1 0 329.343 3.535 20 0 EHADRM CCc1ccc(C(=O)Nc2ccc(O[C@H](C)C(=O)[O-])c(F)c2)s1 ZINC000864171269 979801287 /nfs/dbraw/zinc/80/12/87/979801287.db2.gz TVLROKRNEQICGX-SECBINFHSA-N -1 0 337.372 3.554 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000584301693 1032097329 /nfs/dbraw/zinc/09/73/29/1032097329.db2.gz AWOFDBWNMXYPAB-VIFPVBQESA-N -1 0 332.227 3.846 20 0 EHADRM C[C@H](Cc1ccco1)NC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001592899396 979814263 /nfs/dbraw/zinc/81/42/63/979814263.db2.gz HKJQTJPOGVQGLT-SNVBAGLBSA-N -1 0 344.392 3.945 20 0 EHADRM C[C@@H](Cc1ccco1)NC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001592899851 979816724 /nfs/dbraw/zinc/81/67/24/979816724.db2.gz KQVPHNWNDLJWGG-LBPRGKRZSA-N -1 0 338.363 3.884 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2ccc(/C=C/C(=O)[O-])o2)C(C)C)c1 ZINC000864175941 979816957 /nfs/dbraw/zinc/81/69/57/979816957.db2.gz UDEAXPRBALVCSM-XSFOEPMVSA-N -1 0 327.380 3.813 20 0 EHADRM CC(C)[C@H](SCc1ccccc1)C(=O)NCc1cc(C(=O)[O-])co1 ZINC000864193760 979852854 /nfs/dbraw/zinc/85/28/54/979852854.db2.gz VJDXCGJAMGOMET-INIZCTEOSA-N -1 0 347.436 3.552 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)c1ccc(SC(F)(F)F)cc1)C1CC1 ZINC000864197736 979866591 /nfs/dbraw/zinc/86/65/91/979866591.db2.gz KNBLJYJMTNCWRP-AWEZNQCLSA-N -1 0 347.358 3.672 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)C[C@@H](C)c2ccccc2F)c1 ZINC000864228723 979921507 /nfs/dbraw/zinc/92/15/07/979921507.db2.gz FWXUYGZTFNARFM-KDOFPFPSSA-N -1 0 343.398 3.960 20 0 EHADRM Cc1cc(C(F)F)oc1C(=O)N[C@H](CC(=O)[O-])c1cccc(C)c1 ZINC000864233230 979931719 /nfs/dbraw/zinc/93/17/19/979931719.db2.gz USGRHSOMZCYQGB-GFCCVEGCSA-N -1 0 337.322 3.780 20 0 EHADRM Cc1nc2cccc(Cl)c2cc1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000868434686 979952265 /nfs/dbraw/zinc/95/22/65/979952265.db2.gz IDJAPDKIKACNSA-UHFFFAOYSA-N -1 0 346.814 3.570 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC001595212183 979996906 /nfs/dbraw/zinc/99/69/06/979996906.db2.gz XWHCQCKFRHKAHI-INIZCTEOSA-N -1 0 343.398 3.821 20 0 EHADRM CC(F)(F)CCC(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC001592938930 980003135 /nfs/dbraw/zinc/00/31/35/980003135.db2.gz HPEBKOJMTYIKOE-UHFFFAOYSA-N -1 0 325.233 3.778 20 0 EHADRM CC(F)(F)c1ccc(C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001592943182 980013409 /nfs/dbraw/zinc/01/34/09/980013409.db2.gz DKWYPVFPWLFEOO-HNNXBMFYSA-N -1 0 339.382 3.809 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001595219479 980039571 /nfs/dbraw/zinc/03/95/71/980039571.db2.gz OZXFYOVJCFIAOF-AWEZNQCLSA-N -1 0 343.398 3.717 20 0 EHADRM O=C([O-])c1cccc2c1CN(C(=O)c1sccc1C(F)F)CC2 ZINC000872729856 980119547 /nfs/dbraw/zinc/11/95/47/980119547.db2.gz DTXBGLVPCGBGHQ-UHFFFAOYSA-N -1 0 337.347 3.582 20 0 EHADRM CC[C@@](NC(=O)/C(C)=C/c1ccc(C)cc1)(C(=O)[O-])c1ccccc1 ZINC001595232574 980124539 /nfs/dbraw/zinc/12/45/39/980124539.db2.gz DOCGFNACGREDJR-OZIPEELISA-N -1 0 337.419 3.905 20 0 EHADRM CC[C@](NC(=O)/C(F)=C\C1CCCCC1)(C(=O)[O-])c1ccccc1 ZINC001595232837 980126953 /nfs/dbraw/zinc/12/69/53/980126953.db2.gz JWMGHCMCXUIBLM-NRMGUKERSA-N -1 0 333.403 3.926 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)c2sccc2C(F)F)c2ccccc21 ZINC000872741689 980136012 /nfs/dbraw/zinc/13/60/12/980136012.db2.gz JOIQXZILGCDDJK-SECBINFHSA-N -1 0 337.347 3.904 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)[C@H]1CCC[C@@H]1Cc1ccccc1)CC2 ZINC000872765487 980152578 /nfs/dbraw/zinc/15/25/78/980152578.db2.gz OWHVNGYEWQVUDY-IIMDRIAPSA-N -1 0 341.451 3.501 20 0 EHADRM CC[C@@](NC(=O)C[C@H]1CC=CCC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595238559 980155810 /nfs/dbraw/zinc/15/58/10/980155810.db2.gz STKOMSLBPOBOCK-UGSOOPFHSA-N -1 0 335.831 3.893 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)Nc1ccc(C)c(C(F)(F)F)c1)C(=O)[O-] ZINC000321392550 1014633926 /nfs/dbraw/zinc/63/39/26/1014633926.db2.gz YNCSGODOKDWVGH-PELKAZGASA-N -1 0 332.322 3.635 20 0 EHADRM CCC(NC(=O)Nc1ccc(OCCC(=O)[O-])cc1)(C1CC1)C1CC1 ZINC001595257925 980250152 /nfs/dbraw/zinc/25/01/52/980250152.db2.gz VFRSMQJNZIOISY-UHFFFAOYSA-N -1 0 346.427 3.630 20 0 EHADRM CC[C@@H](NC(=O)c1cc(C)c(C(=O)[O-])o1)c1ccc(Cl)s1 ZINC001595265305 980274760 /nfs/dbraw/zinc/27/47/60/980274760.db2.gz OWVHPJZOSZEPKH-MRVPVSSYSA-N -1 0 327.789 3.882 20 0 EHADRM CC[C@@H](NC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1)C1CCCCC1 ZINC001595265473 980275667 /nfs/dbraw/zinc/27/56/67/980275667.db2.gz VBSZWRBONYAZNJ-QGZVFWFLSA-N -1 0 347.455 3.856 20 0 EHADRM CC[C@@H](NC(=S)NNc1cccc(C(=O)[O-])c1C)c1cccs1 ZINC001595277397 980305675 /nfs/dbraw/zinc/30/56/75/980305675.db2.gz SILAJXUACXXVKH-GFCCVEGCSA-N -1 0 349.481 3.697 20 0 EHADRM O=C([O-])C1CCC(NC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000901480323 980308806 /nfs/dbraw/zinc/30/88/06/980308806.db2.gz CDFPMHPRRGFUNQ-OPQOLIRYSA-N -1 0 329.440 3.720 20 0 EHADRM CCCCOc1ccc(F)c([N-]c2nnco2)c1Br ZINC001211491891 1014650756 /nfs/dbraw/zinc/65/07/56/1014650756.db2.gz GILSYYWBZCRXHA-UHFFFAOYSA-N -1 0 330.157 3.894 20 0 EHADRM CC(C)Cn1nccc1CN[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000901514425 980331744 /nfs/dbraw/zinc/33/17/44/980331744.db2.gz GRLWISADROPXNH-LJQANCHMSA-N -1 0 337.423 3.608 20 0 EHADRM CC[C@H](N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccc2c(c1)CCO2 ZINC001595281836 980339320 /nfs/dbraw/zinc/33/93/20/980339320.db2.gz SZJFZQVEOYSNQG-GWCFXTLKSA-N -1 0 332.425 3.578 20 0 EHADRM CC[C@](NCC(F)(F)C(F)F)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595288754 980373798 /nfs/dbraw/zinc/37/37/98/980373798.db2.gz AMLYMDRMPGLBLF-GFCCVEGCSA-N -1 0 327.705 3.520 20 0 EHADRM Cc1ccc(-c2nc(CN[C@H](CC(F)(F)F)C(=O)[O-])cs2)cc1 ZINC000901781149 980511907 /nfs/dbraw/zinc/51/19/07/980511907.db2.gz ZAWPOJYGJSQVOT-GFCCVEGCSA-N -1 0 344.358 3.614 20 0 EHADRM CC[C@H](Nc1nc(Cl)c(C(=O)[O-])s1)c1nc2ccccc2[nH]1 ZINC001595322648 980515170 /nfs/dbraw/zinc/51/51/70/980515170.db2.gz GFFSJHGDACUSFM-ZETCQYMHSA-N -1 0 336.804 3.934 20 0 EHADRM COCCOc1ccccc1CNc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000901816087 980536902 /nfs/dbraw/zinc/53/69/02/980536902.db2.gz SUDBBGGJXDMIHN-CQSZACIVSA-N -1 0 329.396 3.512 20 0 EHADRM COc1cc2c(c(CNc3cccc([C@H](C)C(=O)[O-])c3)c1)O[C@@H](C)C2 ZINC000901818518 980538570 /nfs/dbraw/zinc/53/85/70/980538570.db2.gz XNSNBJHRWJHDBB-STQMWFEESA-N -1 0 341.407 3.819 20 0 EHADRM CC[C@H](OC(=O)/C(=C/c1ccccc1OC)c1ccccc1)C(=O)[O-] ZINC001595331527 980571488 /nfs/dbraw/zinc/57/14/88/980571488.db2.gz GBAGLBNBJPKTOJ-MAUBAPBLSA-N -1 0 340.375 3.642 20 0 EHADRM CC[C@H](OC(=O)[C@@H](Sc1ccccc1)c1ccccc1)C(=O)[O-] ZINC001595336418 980594053 /nfs/dbraw/zinc/59/40/53/980594053.db2.gz MYFBUZSNEJJDGE-HOTGVXAUSA-N -1 0 330.405 3.926 20 0 EHADRM CC[C@@H](OC(=O)Cc1c2ccc(C)cc2oc1C(C)=O)[C@H](C)C(=O)[O-] ZINC001595339602 980613106 /nfs/dbraw/zinc/61/31/06/980613106.db2.gz DIVCPDIRMFLYLV-XHDPSFHLSA-N -1 0 346.379 3.529 20 0 EHADRM COc1c(C)cnc(CNc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c1C ZINC000901946245 980644230 /nfs/dbraw/zinc/64/42/30/980644230.db2.gz CPMOKNWFVWPIJR-JKSUJKDBSA-N -1 0 326.396 3.507 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1 ZINC001595355238 980700578 /nfs/dbraw/zinc/70/05/78/980700578.db2.gz SHDLCMDUNDBNGL-NAHJCDBISA-N -1 0 339.476 3.510 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)N(CC1CC1)[C@](C)(CC)C(=O)[O-] ZINC001595357441 980722098 /nfs/dbraw/zinc/72/20/98/980722098.db2.gz ZNCQBMNNFOVTBS-OXQOHEQNSA-N -1 0 347.455 3.644 20 0 EHADRM CC[C@@H](Oc1ccccc1F)C(=O)Nc1scc(C(=O)[O-])c1C ZINC001595357539 980723317 /nfs/dbraw/zinc/72/33/17/980723317.db2.gz CTVXDEBFFJZWRB-GFCCVEGCSA-N -1 0 337.372 3.690 20 0 EHADRM COc1ccc(N[C@H]2CCC[C@H](CCCC(=O)[O-])C2)cc1NC(C)=O ZINC000902094547 980730865 /nfs/dbraw/zinc/73/08/65/980730865.db2.gz PCBJHDMBWJCIHC-CABCVRRESA-N -1 0 348.443 3.879 20 0 EHADRM CC(C)[C@@H](NCc1ccc(/C=C\C(=O)[O-])o1)c1nc2ccccc2[nH]1 ZINC000902141344 980753381 /nfs/dbraw/zinc/75/33/81/980753381.db2.gz ZTYCDPOLHBOBIB-HJCTWCACSA-N -1 0 339.395 3.741 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CN[C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000902140366 980753547 /nfs/dbraw/zinc/75/35/47/980753547.db2.gz STUWTOTZBIBDFZ-INIZCTEOSA-N -1 0 327.384 3.649 20 0 EHADRM O=C([O-])/C=C/c1ccc(CNc2ccc(OC[C@H]3CCCO3)cc2)o1 ZINC000902147101 980757389 /nfs/dbraw/zinc/75/73/89/980757389.db2.gz HOAPMEBTVJOWDM-QZEKMECESA-N -1 0 343.379 3.547 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)CSc1ccccc1 ZINC001595361182 980760211 /nfs/dbraw/zinc/76/02/11/980760211.db2.gz DRISXOZMDDEVLP-QGZVFWFLSA-N -1 0 343.448 3.843 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@H](C)OCCC(C)C ZINC001595361722 980764437 /nfs/dbraw/zinc/76/44/37/980764437.db2.gz NCFCYYMGVBLJMY-RDJZCZTQSA-N -1 0 335.444 3.502 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1cc2c(cc[nH]c2=O)o1 ZINC001595362383 980770837 /nfs/dbraw/zinc/77/08/37/980770837.db2.gz CAVIMMHMVFBVMF-MRXNPFEDSA-N -1 0 340.379 3.571 20 0 EHADRM COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000471133307 1014683119 /nfs/dbraw/zinc/68/31/19/1014683119.db2.gz NPKAOXIPGWBNOU-UHFFFAOYSA-N -1 0 341.379 3.699 20 0 EHADRM CC[C@@H](c1nnc(NCc2c[nH]c(C(=O)[O-])c2)s1)c1ccccc1 ZINC001595363611 980783914 /nfs/dbraw/zinc/78/39/14/980783914.db2.gz FEFZEPKMJAALAY-CYBMUJFWSA-N -1 0 342.424 3.718 20 0 EHADRM CCc1cccc2c1OCC[C@H]2NCc1ccc(/C=C/C(=O)[O-])o1 ZINC000902212352 980784655 /nfs/dbraw/zinc/78/46/55/980784655.db2.gz BTMVNCPJLZRCLI-KBOKABMXSA-N -1 0 327.380 3.553 20 0 EHADRM CC[C@H](c1ccncc1)N(C)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001595363638 980784877 /nfs/dbraw/zinc/78/48/77/980784877.db2.gz GLWDQWZEQXEQRB-OAHLLOKOSA-N -1 0 332.787 3.657 20 0 EHADRM CC[C@H](c1ccccc1)N(CC)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001595364373 980793048 /nfs/dbraw/zinc/79/30/48/980793048.db2.gz QRESXPVNVFSLSD-MDMSPXHWSA-N -1 0 344.455 3.669 20 0 EHADRM C[C@@H](NCc1ccc(/C=C/C(=O)[O-])o1)c1ccc(C(F)(F)F)nc1 ZINC000902262455 980806263 /nfs/dbraw/zinc/80/62/63/980806263.db2.gz BHTALRCOKDSCDT-BREXMAIKSA-N -1 0 340.301 3.642 20 0 EHADRM CCC1(C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])CCC(F)(F)CC1 ZINC001595366227 980812975 /nfs/dbraw/zinc/81/29/75/980812975.db2.gz WSHXKUSMPPNWMO-CQSZACIVSA-N -1 0 345.430 3.989 20 0 EHADRM CCC1(C(=O)Nc2cc(C(=O)[O-])cnc2Cl)CCC(F)(F)CC1 ZINC001595368062 980821872 /nfs/dbraw/zinc/82/18/72/980821872.db2.gz SGQDAMHNOCGIRT-UHFFFAOYSA-N -1 0 346.761 3.977 20 0 EHADRM CCC1(C(=O)Nc2cc(CCC(=O)[O-])ccc2OCOC)CCCC1 ZINC001595368086 980822641 /nfs/dbraw/zinc/82/26/41/980822641.db2.gz UFZULKALLRQOHE-UHFFFAOYSA-N -1 0 349.427 3.595 20 0 EHADRM O=C([O-])c1ccc(CNC2(c3ccc(C(F)(F)F)cc3)CC2)o1 ZINC000902367123 980856742 /nfs/dbraw/zinc/85/67/42/980856742.db2.gz AIXMLUAPAAQGLV-UHFFFAOYSA-N -1 0 325.286 3.776 20 0 EHADRM CCC1(CC)CCCN(C(=O)Nc2cccc(OCC(=O)[O-])c2)C1 ZINC001595374759 980887943 /nfs/dbraw/zinc/88/79/43/980887943.db2.gz TVRAULVRKAEQFZ-UHFFFAOYSA-N -1 0 334.416 3.584 20 0 EHADRM CCC1(CC)CN(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c2ccccc21 ZINC001595375462 980896041 /nfs/dbraw/zinc/89/60/41/980896041.db2.gz LUHGYYZCNOELKO-GJZGRUSLSA-N -1 0 329.440 3.982 20 0 EHADRM CCC1(CC)CN(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)C1 ZINC001595375588 980897648 /nfs/dbraw/zinc/89/76/48/980897648.db2.gz RZFVEVYADYUCFP-UHFFFAOYSA-N -1 0 328.771 3.831 20 0 EHADRM CCC1(CC)Oc2ccc(NC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)cc2O1 ZINC001595376639 980907575 /nfs/dbraw/zinc/90/75/75/980907575.db2.gz FXIGFAOWVRAZCT-QWHCGFSZSA-N -1 0 347.411 3.804 20 0 EHADRM CCC1(CC)Oc2ccc(NC(=O)c3ccc(C(=O)[O-])o3)cc2O1 ZINC001595376795 980908511 /nfs/dbraw/zinc/90/85/11/980908511.db2.gz NAMPDJFQAXPCJI-UHFFFAOYSA-N -1 0 331.324 3.518 20 0 EHADRM CCC1=C(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)CCCO1 ZINC001595398056 980968054 /nfs/dbraw/zinc/96/80/54/980968054.db2.gz AOZKEOKYLRABIS-UHFFFAOYSA-N -1 0 333.384 3.585 20 0 EHADRM CC[C@@H]1C[C@@H](CC(=O)OCc2cc(C(=O)[O-])ccc2Cl)CCO1 ZINC001595413688 981016493 /nfs/dbraw/zinc/01/64/93/981016493.db2.gz QPRJHQVXPLVMEU-SMDDNHRTSA-N -1 0 340.803 3.677 20 0 EHADRM CCC1CCC(NC(=O)C[C@H](C)c2ccc(F)cc2)(C(=O)[O-])CC1 ZINC001595420669 981037476 /nfs/dbraw/zinc/03/74/76/981037476.db2.gz FLTUFFUZDWARCW-CDJWAVJASA-N -1 0 335.419 3.859 20 0 EHADRM CCC1CCC(NC(=O)c2cc3cccc(C)c3o2)(C(=O)[O-])CC1 ZINC001595424625 981042900 /nfs/dbraw/zinc/04/29/00/981042900.db2.gz HFEQSYCFUHWHAU-UHFFFAOYSA-N -1 0 329.396 3.895 20 0 EHADRM CC[C@H]1CCC[C@H]1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001595435020 981061915 /nfs/dbraw/zinc/06/19/15/981061915.db2.gz DZFUDASBJYQEOI-DZGCQCFKSA-N -1 0 330.428 3.750 20 0 EHADRM CC[C@H]1CCC[C@H]1C(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001595435748 981066410 /nfs/dbraw/zinc/06/64/10/981066410.db2.gz MLWQLOSDPIGSOX-VHSXEESVSA-N -1 0 340.217 3.912 20 0 EHADRM CC[C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001595436655 981070348 /nfs/dbraw/zinc/07/03/48/981070348.db2.gz TZIFIIBLAWUOLD-COXVUDFISA-N -1 0 329.440 3.747 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001595439039 981073677 /nfs/dbraw/zinc/07/36/77/981073677.db2.gz BNHWMYRXBNIJSG-OAGGEKHMSA-N -1 0 338.492 3.735 20 0 EHADRM CC[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC001595441244 981078829 /nfs/dbraw/zinc/07/88/29/981078829.db2.gz OZOQDGWZVKJWLN-OUCADQQQSA-N -1 0 337.391 3.833 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1C(=O)NC[C@H](Cc1cccc(C)c1)C(=O)[O-] ZINC001595442313 981082102 /nfs/dbraw/zinc/08/21/02/981082102.db2.gz YRDJOHHAFWYSRX-SQNIBIBYSA-N -1 0 331.456 3.571 20 0 EHADRM CC[C@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001595444258 981086805 /nfs/dbraw/zinc/08/68/05/981086805.db2.gz LSZHBBDWQOBRSS-SWLSCSKDSA-N -1 0 334.416 3.826 20 0 EHADRM CCC(CC)n1ccc(CN[C@H](C(=O)[O-])c2ccc(C)c(C)c2)n1 ZINC000905380625 981101915 /nfs/dbraw/zinc/10/19/15/981101915.db2.gz MEGFONZZRMYFNW-SFHVURJKSA-N -1 0 329.444 3.777 20 0 EHADRM Cc1cc(C)cc([C@H](NCc2nc(C(F)(F)F)cs2)C(=O)[O-])c1 ZINC000905392857 981113423 /nfs/dbraw/zinc/11/34/23/981113423.db2.gz XYFKQFRRJJEDNV-ZDUSSCGKSA-N -1 0 344.358 3.694 20 0 EHADRM CC[C@H]1CCCN(C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)C1 ZINC001595452906 981116447 /nfs/dbraw/zinc/11/64/47/981116447.db2.gz HUYGKQOVVQEWHJ-ZDUSSCGKSA-N -1 0 334.416 3.826 20 0 EHADRM CC[C@H]1CCc2ccccc2N1C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001595467925 981157137 /nfs/dbraw/zinc/15/71/37/981157137.db2.gz JJSIKPVQROJRHC-KVPUOBJLSA-N -1 0 325.364 3.749 20 0 EHADRM CCCCOc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2OC)cc1 ZINC000906502420 981169993 /nfs/dbraw/zinc/16/99/93/981169993.db2.gz SDOVUTCQZFLKHK-UHFFFAOYSA-N -1 0 343.379 3.825 20 0 EHADRM COc1c(NC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)cccc1C(=O)[O-] ZINC000906503955 981170641 /nfs/dbraw/zinc/17/06/41/981170641.db2.gz YMKNTQQTLHYJPA-LRDDRELGSA-N -1 0 339.338 3.548 20 0 EHADRM COc1cc(NC(=O)c2cc(C3CC3)oc2C2CC2)ccc1C(=O)[O-] ZINC000907661791 981205433 /nfs/dbraw/zinc/20/54/33/981205433.db2.gz QVHUAYUXTVBIJH-UHFFFAOYSA-N -1 0 341.363 3.994 20 0 EHADRM CC[C@@H]1CN([C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C[C@@H](CC)O1 ZINC001595484113 981216989 /nfs/dbraw/zinc/21/69/89/981216989.db2.gz NSSULSSFTQQRHZ-KFWWJZLASA-N -1 0 345.361 3.721 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)C3CCC(c4ccccc4)CC3)[C@@H]2C1 ZINC000907937110 981242014 /nfs/dbraw/zinc/24/20/14/981242014.db2.gz ZDAMTSQDGVKORC-HEPMNBHFSA-N -1 0 341.451 3.576 20 0 EHADRM CC[C@H]1CN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)CCCO1 ZINC001595490596 981242348 /nfs/dbraw/zinc/24/23/48/981242348.db2.gz DCMBLZQBFHOQSI-INIZCTEOSA-N -1 0 346.452 3.509 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@@H](c1ncccc1C)C(C)(C)C ZINC000908120203 981266574 /nfs/dbraw/zinc/26/65/74/981266574.db2.gz QKGCZMVCMJEYMS-HNNXBMFYSA-N -1 0 330.384 3.507 20 0 EHADRM Cc1cc(C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])c(C(F)(F)F)o1 ZINC000908289416 981297014 /nfs/dbraw/zinc/29/70/14/981297014.db2.gz IRVAABMAIZAZSL-NSHDSACASA-N -1 0 347.333 3.618 20 0 EHADRM Cc1cc(C(=O)NCCCCC2(C(=O)[O-])CCC2)c(C(F)(F)F)o1 ZINC000908333914 981301184 /nfs/dbraw/zinc/30/11/84/981301184.db2.gz VPWYIBLBERRMMX-UHFFFAOYSA-N -1 0 347.333 3.762 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CCC(=O)NCCCCC2(C(=O)[O-])CCC2)o1 ZINC000908345069 981306088 /nfs/dbraw/zinc/30/60/88/981306088.db2.gz XSDSHEGVVBUHSN-GDBMZVCRSA-N -1 0 347.455 3.877 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)Cc2cc(Cl)cc3ccccc32)C1 ZINC000908376071 981310769 /nfs/dbraw/zinc/31/07/69/981310769.db2.gz JNOFLMNZQBBRSO-WBMJQRKESA-N -1 0 345.826 3.795 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CCC(c2ccccc2C)CC1 ZINC000908787634 981362699 /nfs/dbraw/zinc/36/26/99/981362699.db2.gz PPVBNSZLDDQSOU-UHFFFAOYSA-N -1 0 327.380 3.614 20 0 EHADRM Cc1ccc([C@@H](C)CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1 ZINC000908814051 981367389 /nfs/dbraw/zinc/36/73/89/981367389.db2.gz ZZNSTMWZBMPNDE-VMEOHVCESA-N -1 0 329.440 3.640 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1cc(C)ccc1SCC(F)(F)F ZINC000908814700 981367456 /nfs/dbraw/zinc/36/74/56/981367456.db2.gz RRTLTLJIEZNQGM-SECBINFHSA-N -1 0 335.347 3.699 20 0 EHADRM CCS[C@H]1CC[C@H](N(C)C(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1 ZINC000908835643 981372612 /nfs/dbraw/zinc/37/26/12/981372612.db2.gz PSMQPJVLMIEGCE-DIOPXHOYSA-N -1 0 339.501 3.544 20 0 EHADRM CCC[C@H](C(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)[O-])C(C)C ZINC001595535405 981377567 /nfs/dbraw/zinc/37/75/67/981377567.db2.gz BVCAVYBDBRPQPD-MAUKXSAKSA-N -1 0 339.863 3.914 20 0 EHADRM C/C=C(/CC)C(=O)N[C@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000908857212 981378943 /nfs/dbraw/zinc/37/89/43/981378943.db2.gz RRZSCGRJGFEXDS-CQDYJGNSSA-N -1 0 345.317 3.574 20 0 EHADRM CCC[C@H]1C[C@H](C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)CCO1 ZINC000908898283 981383979 /nfs/dbraw/zinc/38/39/79/981383979.db2.gz HATVJKRQNKUKOP-HIFRSBDPSA-N -1 0 349.427 3.706 20 0 EHADRM CCC[C@@H](C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)c1cccc(Cl)c1 ZINC001595539151 981396855 /nfs/dbraw/zinc/39/68/55/981396855.db2.gz YKGCLXOAVXTJDH-HSMRXVHUSA-N -1 0 349.858 3.839 20 0 EHADRM CCC[C@](C)(NC(=O)[C@H]1CC[C@H]1c1ccc(Cl)cc1F)C(=O)[O-] ZINC001595545994 981406247 /nfs/dbraw/zinc/40/62/47/981406247.db2.gz BZIPNHJQEGPUHV-BNLOLNQZSA-N -1 0 341.810 3.732 20 0 EHADRM CCC[C@@](C)(NC(=O)[C@@H](c1ccncc1)C1CCCCC1)C(=O)[O-] ZINC001595546103 981407768 /nfs/dbraw/zinc/40/77/68/981407768.db2.gz HMQMJORKPYBLPN-VQIMIIECSA-N -1 0 332.444 3.505 20 0 EHADRM Cc1nc(-c2ccccc2C)sc1C(=O)NC1(CC(=O)[O-])CCC1 ZINC000909071395 981413065 /nfs/dbraw/zinc/41/30/65/981413065.db2.gz XJCGPHYDNZHOLS-UHFFFAOYSA-N -1 0 344.436 3.554 20 0 EHADRM CCC[C@](C)(NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C)C(=O)[O-] ZINC001595546662 981413213 /nfs/dbraw/zinc/41/32/13/981413213.db2.gz RWFJYOYDUZLDKY-LIRRHRJNSA-N -1 0 335.444 3.645 20 0 EHADRM CCC[C@](C)(NC(=O)CCC[C@H](C)c1cccc(OC)c1)C(=O)[O-] ZINC001595547318 981419081 /nfs/dbraw/zinc/41/90/81/981419081.db2.gz MNKYCQVSIBLZLO-LIRRHRJNSA-N -1 0 335.444 3.729 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)[C@H]3CCOC4(CCC4)C3)ccc2s1 ZINC000909122937 981421137 /nfs/dbraw/zinc/42/11/37/981421137.db2.gz OAVGALYLCABAKC-NSHDSACASA-N -1 0 345.420 3.887 20 0 EHADRM CCC[C@](C)(NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1)C(=O)[O-] ZINC001595553466 981429894 /nfs/dbraw/zinc/42/98/94/981429894.db2.gz KSRSDBAKGATJLZ-HNNXBMFYSA-N -1 0 342.317 3.560 20 0 EHADRM Cc1coc(C)c1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000909224056 981435397 /nfs/dbraw/zinc/43/53/97/981435397.db2.gz CQGYWGGEXNSYHF-UHFFFAOYSA-N -1 0 333.409 3.857 20 0 EHADRM Cc1ccc(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)nc1C ZINC000909224519 981436275 /nfs/dbraw/zinc/43/62/75/981436275.db2.gz OTCAYYYTAHJKQO-UHFFFAOYSA-N -1 0 344.436 3.659 20 0 EHADRM Cc1ccc(F)c(CC(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c1 ZINC000909333145 981470532 /nfs/dbraw/zinc/47/05/32/981470532.db2.gz UDXIOWIJEZWCMN-UHFFFAOYSA-N -1 0 345.370 3.559 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@H]3CCc4c3cccc4Cl)(CC1)CC2 ZINC000909402631 981484657 /nfs/dbraw/zinc/48/46/57/981484657.db2.gz ZSNGGQUDCNSIPQ-MNNVXMFVSA-N -1 0 347.842 3.869 20 0 EHADRM C[C@@H](CC(=O)N1CCC(CCC(=O)[O-])CC1)c1c[nH]c2ccccc21 ZINC000909437142 981492277 /nfs/dbraw/zinc/49/22/77/981492277.db2.gz FNPFABNKKDWBFW-AWEZNQCLSA-N -1 0 342.439 3.765 20 0 EHADRM C[C@H](CC(=O)N1CCC(CCC(=O)[O-])CC1)c1c[nH]c2ccccc21 ZINC000909437144 981492292 /nfs/dbraw/zinc/49/22/92/981492292.db2.gz FNPFABNKKDWBFW-CQSZACIVSA-N -1 0 342.439 3.765 20 0 EHADRM Cc1c2cccc(Cl)c2[nH]c1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000909479784 981505517 /nfs/dbraw/zinc/50/55/17/981505517.db2.gz UHYXOBCSUQVDPL-GFCCVEGCSA-N -1 0 348.830 3.847 20 0 EHADRM COc1cccc([C@@H](C)CCCC(=O)N2CCCC[C@H]2CC(=O)[O-])c1 ZINC000909500540 981512648 /nfs/dbraw/zinc/51/26/48/981512648.db2.gz VAIJGUIVXYHPJO-RDJZCZTQSA-N -1 0 347.455 3.825 20 0 EHADRM Cc1nsc(NC2CC2)c1C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000909514358 981521607 /nfs/dbraw/zinc/52/16/07/981521607.db2.gz ZTVVODRUTMDSGZ-UHFFFAOYSA-N -1 0 345.424 3.593 20 0 EHADRM CCC[C@@H](CC(C)C)C(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001595586047 981528667 /nfs/dbraw/zinc/52/86/67/981528667.db2.gz NHDXNYYSVZNPQX-YOFIQYCBSA-N -1 0 341.517 3.694 20 0 EHADRM CC(=O)c1cc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)ccc1C ZINC000909525834 981531614 /nfs/dbraw/zinc/53/16/14/981531614.db2.gz YHCGIUQRYZELLM-ZDUSSCGKSA-N -1 0 339.391 3.713 20 0 EHADRM C[C@H](CC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-])c1c[nH]c2ccccc21 ZINC000909530481 981533773 /nfs/dbraw/zinc/53/37/73/981533773.db2.gz IEARKQUEHZAPAQ-AUJRIZCKSA-N -1 0 342.439 3.811 20 0 EHADRM CCC[C@@H](CNC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)OC ZINC001595593024 981554645 /nfs/dbraw/zinc/55/46/45/981554645.db2.gz QOERCYBLCZDSCE-LBPRGKRZSA-N -1 0 336.413 3.536 20 0 EHADRM CCCC(O)(CCC)CNC(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001595604749 981590386 /nfs/dbraw/zinc/59/03/86/981590386.db2.gz PXBVPWKZPKTWKB-UHFFFAOYSA-N -1 0 342.461 3.516 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)NC1(c2ccc(C(C)(C)C)cc2)CCCC1 ZINC001594748185 981642986 /nfs/dbraw/zinc/64/29/86/981642986.db2.gz HHJBCYCJEPLUID-INIZCTEOSA-N -1 0 331.456 3.980 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)NCC(CC)(CC)c1ccc(Cl)cc1 ZINC001594748629 981645020 /nfs/dbraw/zinc/64/50/20/981645020.db2.gz LIKNHOVSJOUMEZ-AWEZNQCLSA-N -1 0 325.836 3.625 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)C2(Cc3ccc(F)cc3)CC2)c1 ZINC000909830877 981649018 /nfs/dbraw/zinc/64/90/18/981649018.db2.gz AKAQVLFMGBIXSZ-ZDUSSCGKSA-N -1 0 341.382 3.975 20 0 EHADRM CCC[C@H]1C[C@@H](C(=O)Nc2ccc(OC(C)C)cc2C(=O)[O-])CCO1 ZINC001595620248 981687896 /nfs/dbraw/zinc/68/78/96/981687896.db2.gz ASDWUFHIMPOGMY-KBPBESRZSA-N -1 0 349.427 3.706 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@H](C3CCC3)C3CCCC3)(CC1)CC2 ZINC000909870327 981692700 /nfs/dbraw/zinc/69/27/00/981692700.db2.gz CUMYXPWRJVKPOK-DZIBYMRMSA-N -1 0 333.472 3.887 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)c2ccoc2CC(=O)[O-])c(F)c1 ZINC000909918180 981701923 /nfs/dbraw/zinc/70/19/23/981701923.db2.gz OHDNXMNNDOTMRY-UHFFFAOYSA-N -1 0 349.358 3.723 20 0 EHADRM CCC[C@H]1CCCCN1C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001595622413 981709616 /nfs/dbraw/zinc/70/96/16/981709616.db2.gz RCQDPTICLLGBOD-AWEZNQCLSA-N -1 0 333.432 3.637 20 0 EHADRM CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1oc(C(=O)[O-])cc1C ZINC000910013432 981735088 /nfs/dbraw/zinc/73/50/88/981735088.db2.gz JMLMCEWRBNJLQS-CQSZACIVSA-N -1 0 331.368 3.518 20 0 EHADRM COC[C@H](NCc1cccc(O)c1Br)c1ccccc1 ZINC000459423178 1032103274 /nfs/dbraw/zinc/10/32/74/1032103274.db2.gz ZBUPEFNFLKAKQB-AWEZNQCLSA-N -1 0 336.229 3.632 20 0 EHADRM CCCCNc1ccccc1C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000910159756 981768455 /nfs/dbraw/zinc/76/84/55/981768455.db2.gz JPGFNRPQGYPVJQ-NSHDSACASA-N -1 0 347.440 3.544 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)Cc1c[nH]c2cccc(C)c12 ZINC001594781195 981786540 /nfs/dbraw/zinc/78/65/40/981786540.db2.gz JNPFZHICSFCLSR-FQEVSTJZSA-N -1 0 342.439 3.511 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)Cc1c[nH]c2c1cccc2C ZINC001594780920 981786712 /nfs/dbraw/zinc/78/67/12/981786712.db2.gz JEOOWXWATPVJOD-HXUWFJFHSA-N -1 0 342.439 3.511 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)CCc1cc(C)cc(C)c1 ZINC001594782165 981789534 /nfs/dbraw/zinc/78/95/34/981789534.db2.gz ODXFDMWINQYWLZ-FQEVSTJZSA-N -1 0 331.456 3.728 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)CCCc1ccc(C)s1 ZINC001594783120 981793686 /nfs/dbraw/zinc/79/36/86/981793686.db2.gz VSVQJJHAZTUULZ-GOSISDBHSA-N -1 0 337.485 3.871 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)C[C@H]1CCCc2ccccc21 ZINC001594783457 981795279 /nfs/dbraw/zinc/79/52/79/981795279.db2.gz XHPPBXMOUNBDIY-UTKZUKDTSA-N -1 0 343.467 3.989 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1scc(C)c1Cl ZINC001594785450 981805582 /nfs/dbraw/zinc/80/55/82/981805582.db2.gz MBQUBTAOGQMDEJ-OAHLLOKOSA-N -1 0 329.849 3.815 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3ccc(F)cc3s2)[C@@H]2CCC[C@@H]21 ZINC000910242739 981811566 /nfs/dbraw/zinc/81/15/66/981811566.db2.gz WNYWSDWQJNETRP-MGPQQGTHSA-N -1 0 347.411 3.756 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(F)cc1Cl ZINC001594790784 981843527 /nfs/dbraw/zinc/84/35/27/981843527.db2.gz HDZXHTBXZUNVPJ-INIZCTEOSA-N -1 0 327.783 3.585 20 0 EHADRM CCCC[C@@H](CC)CC(=O)Nc1c(C(=O)[O-])nnn1-c1ccccc1 ZINC001595632817 981860952 /nfs/dbraw/zinc/86/09/52/981860952.db2.gz RXKWSEJWLBMVBZ-CYBMUJFWSA-N -1 0 344.415 3.511 20 0 EHADRM CCCC[C@@H](COC)NC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001595633148 981866826 /nfs/dbraw/zinc/86/68/26/981866826.db2.gz CQOUKIWIDSIEPJ-AWEZNQCLSA-N -1 0 344.411 3.865 20 0 EHADRM CCC1(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)CCOCC1 ZINC000910359917 981889487 /nfs/dbraw/zinc/88/94/87/981889487.db2.gz OXXTYBZRYGCHBW-UHFFFAOYSA-N -1 0 327.380 3.683 20 0 EHADRM CCCC[C@@H](Cc1ccccn1)OC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001595634803 981893960 /nfs/dbraw/zinc/89/39/60/981893960.db2.gz WAWDXQVVLSZGPH-ZOBUZTSGSA-N -1 0 333.428 3.617 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NCC(C)(C)CC(F)F)C(=O)[O-] ZINC000910409874 981920639 /nfs/dbraw/zinc/92/06/39/981920639.db2.gz HADIQMHWBJBNHI-JTQLQIEISA-N -1 0 345.411 3.663 20 0 EHADRM CCC(C)(C)OCc1ccccc1NC(=O)C12CC(C(=O)[O-])(C1)C2 ZINC001594814192 981937248 /nfs/dbraw/zinc/93/72/48/981937248.db2.gz HNAZGDNXTFAUQJ-UHFFFAOYSA-N -1 0 331.412 3.585 20 0 EHADRM CCC(C)(C)c1ccc(C(=O)NCc2cc(C(=O)[O-])c(C)n2C)cc1 ZINC001594814248 981937263 /nfs/dbraw/zinc/93/72/63/981937263.db2.gz KLIVRTLXEMQBGE-UHFFFAOYSA-N -1 0 342.439 3.649 20 0 EHADRM CCC(C)(C)OCc1cccc(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])c1C ZINC001594814254 981937400 /nfs/dbraw/zinc/93/74/00/981937400.db2.gz KOBLGFJYGSIFOJ-LSDHHAIUSA-N -1 0 333.428 3.750 20 0 EHADRM CCC(C)(C)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(O)cc2)cc1 ZINC001594814829 981941378 /nfs/dbraw/zinc/94/13/78/981941378.db2.gz YGZFZEBJMYJSKH-QGZVFWFLSA-N -1 0 341.407 3.636 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN(C(=O)CCc1ccc(Cl)s1)C2 ZINC000910496913 981962894 /nfs/dbraw/zinc/96/28/94/981962894.db2.gz BSROORPIJXQJHG-UHFFFAOYSA-N -1 0 349.839 3.617 20 0 EHADRM CC(C)(NC(=O)CCc1ccccc1C(=O)[O-])c1ccc(F)cc1F ZINC000910559275 981989734 /nfs/dbraw/zinc/98/97/34/981989734.db2.gz IZSPIZPHJBPTBP-UHFFFAOYSA-N -1 0 347.361 3.647 20 0 EHADRM CCCC[C@H](S[C@@H](C)C(=O)Nc1ccccc1C(C)=O)C(=O)[O-] ZINC001595651697 982025267 /nfs/dbraw/zinc/02/52/67/982025267.db2.gz JQARBWQWRHPAKX-WFASDCNBSA-N -1 0 337.441 3.593 20 0 EHADRM Cc1nc(NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])sc1C ZINC000910624727 982034291 /nfs/dbraw/zinc/03/42/91/982034291.db2.gz DXIUJHLOOMCSAY-JTQLQIEISA-N -1 0 336.438 3.577 20 0 EHADRM CC(C)(C)c1cnc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)s1 ZINC000910638176 982035924 /nfs/dbraw/zinc/03/59/24/982035924.db2.gz OHABUZWDUMHGIQ-UHFFFAOYSA-N -1 0 336.457 3.804 20 0 EHADRM CC[C@@](C)(NC(=O)CCCOc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC001594836685 982040453 /nfs/dbraw/zinc/04/04/53/982040453.db2.gz DJOHYTRLZAJIDC-OAHLLOKOSA-N -1 0 348.226 3.522 20 0 EHADRM CCCC[C@H](SCC(=O)N1c2ccccc2CC[C@@H]1C)C(=O)[O-] ZINC001595654862 982041445 /nfs/dbraw/zinc/04/14/45/982041445.db2.gz FUJMRTCSYYRGHV-BBRMVZONSA-N -1 0 335.469 3.731 20 0 EHADRM CCCCn1ncc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1C(C)C ZINC000910654879 982043772 /nfs/dbraw/zinc/04/37/72/982043772.db2.gz DMDPCHFEVPHYEJ-KBPBESRZSA-N -1 0 335.448 3.636 20 0 EHADRM Cc1cc(NC(=O)c2cc(C(=O)[O-])oc2C)nn1C1CCCCC1 ZINC000910666326 982047073 /nfs/dbraw/zinc/04/70/73/982047073.db2.gz SPXSMGUMIVZYRP-UHFFFAOYSA-N -1 0 331.372 3.549 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1cc(C(=O)[O-])sc1C)c1nccs1 ZINC001594841321 982052955 /nfs/dbraw/zinc/05/29/55/982052955.db2.gz COKNEKBFVPYOGV-CQSZACIVSA-N -1 0 339.442 3.658 20 0 EHADRM CC(C)c1sc(NC(=O)c2scnc2C2CC2)nc1C(=O)[O-] ZINC000910695826 982066698 /nfs/dbraw/zinc/06/66/98/982066698.db2.gz DKDLABJSTZVZHE-UHFFFAOYSA-N -1 0 337.426 3.551 20 0 EHADRM CC(C)c1sc(NC(=O)CCCOc2ccccc2)nc1C(=O)[O-] ZINC000910701311 982071989 /nfs/dbraw/zinc/07/19/89/982071989.db2.gz UOYLRTRJKVGHIZ-UHFFFAOYSA-N -1 0 348.424 3.762 20 0 EHADRM CCCC[C@@H]1CCC[C@H]1N[C@@H](C(=O)OC)c1cccc(C(=O)[O-])c1 ZINC001595660615 982072283 /nfs/dbraw/zinc/07/22/83/982072283.db2.gz KQZJPSQHXVMHLW-KBRIMQKVSA-N -1 0 333.428 3.547 20 0 EHADRM C/C(=C\C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1)c1ccco1 ZINC000910717603 982080011 /nfs/dbraw/zinc/08/00/11/982080011.db2.gz DMBDWCYUZNKTJJ-VMPCVLLUSA-N -1 0 346.408 3.510 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)c2ccc(F)c(C)c2)nc1C(=O)[O-] ZINC000910730272 982093663 /nfs/dbraw/zinc/09/36/63/982093663.db2.gz KSXOWEBEIRWZLK-ZDUSSCGKSA-N -1 0 348.399 3.575 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NC[C@@]12C[C@@H]1CCCC2)C(=O)[O-] ZINC000910805713 982127092 /nfs/dbraw/zinc/12/70/92/982127092.db2.gz XTGXDXKQXLSPCJ-ZJNRKIDTSA-N -1 0 333.453 3.562 20 0 EHADRM CC[C@H](C(=O)NC1CC(CC(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC000910807202 982129239 /nfs/dbraw/zinc/12/92/39/982129239.db2.gz QHGKUTMNVNSGOD-DBRPNBKGSA-N -1 0 343.345 3.569 20 0 EHADRM CCCCC[C@@H](NC(=O)CCSc1cccc(Cl)c1)C(=O)[O-] ZINC001595672121 982130353 /nfs/dbraw/zinc/13/03/53/982130353.db2.gz LMJQLUOZMOCZJF-CQSZACIVSA-N -1 0 343.876 3.972 20 0 EHADRM CCCCC[C@H](NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001595672546 982134304 /nfs/dbraw/zinc/13/43/04/982134304.db2.gz MBJWRHBDORDBAM-IKGGRYGDSA-N -1 0 332.444 3.861 20 0 EHADRM CCCCC[C@@H](NC(=O)Cc1c(Cl)cccc1Cl)C(=O)[O-] ZINC001595672827 982137579 /nfs/dbraw/zinc/13/75/79/982137579.db2.gz PWWDLCSINHICLD-CYBMUJFWSA-N -1 0 332.227 3.686 20 0 EHADRM CCCCC[C@H](NC(=O)Cc1coc2cc(C)c(C)cc12)C(=O)[O-] ZINC001595672976 982139717 /nfs/dbraw/zinc/13/97/17/982139717.db2.gz SZEGQMMSIUTWFM-INIZCTEOSA-N -1 0 331.412 3.742 20 0 EHADRM CC/C(C)=C/C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC001594860666 982140745 /nfs/dbraw/zinc/14/07/45/982140745.db2.gz NPSUTCOPFFJJQI-MDNBWPLSSA-N -1 0 325.408 3.556 20 0 EHADRM C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000910936241 982169813 /nfs/dbraw/zinc/16/98/13/982169813.db2.gz RBIWZXGZYCJQBX-NCIDIOPNSA-N -1 0 339.391 3.786 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cc(C)n([C@H](C)C2CC2)n1 ZINC000910960132 982179222 /nfs/dbraw/zinc/17/92/22/982179222.db2.gz XKMIZTICAFYGPP-GFCCVEGCSA-N -1 0 341.411 3.675 20 0 EHADRM CCCCCCC(=O)N[C@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC001595690294 982194671 /nfs/dbraw/zinc/19/46/71/982194671.db2.gz LZJPKFISJQGLFP-HNNXBMFYSA-N -1 0 327.808 3.561 20 0 EHADRM CCCCCC[C@H](CC)C(=O)N1[C@@H]2C[C@H](C(=O)[O-])O[C@H]2CC[C@H]1C ZINC001595697953 982247761 /nfs/dbraw/zinc/24/77/61/982247761.db2.gz ODDHIQMIEPRKHT-BPKGMFCQSA-N -1 0 339.476 3.605 20 0 EHADRM CCCCCC[C@@H](C)CC(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001595699154 982256007 /nfs/dbraw/zinc/25/60/07/982256007.db2.gz WTGGHFNXBHUAQZ-HITAIPBASA-N -1 0 339.476 3.512 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)/C=C\c1ccc(F)c2ccccc12)C(=O)[O-] ZINC001594884623 982264371 /nfs/dbraw/zinc/26/43/71/982264371.db2.gz WYPPUYOUQXRKGZ-WVLJDTHJSA-N -1 0 329.371 3.608 20 0 EHADRM CCCCCCO[C@@H](C)C(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001595711142 982297870 /nfs/dbraw/zinc/29/78/70/982297870.db2.gz PXPAVXPRCSMSQP-NSHDSACASA-N -1 0 327.446 3.987 20 0 EHADRM CCCCCn1nc(C)cc1NC(=O)c1ccccc1CCC(=O)[O-] ZINC001595727520 982352710 /nfs/dbraw/zinc/35/27/10/982352710.db2.gz NKVQYBKGVWPCNP-UHFFFAOYSA-N -1 0 343.427 3.651 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001594908309 982398074 /nfs/dbraw/zinc/39/80/74/982398074.db2.gz FEBXYIUQRWHIPY-KMUQISDUSA-N -1 0 344.238 3.712 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001594909780 982411105 /nfs/dbraw/zinc/41/11/05/982411105.db2.gz WYQBIRBNRKWSIG-GXFFZTMASA-N -1 0 346.349 3.503 20 0 EHADRM CCCCn1ccnc1-c1cccc(NC(=O)C[C@H](C)CC(=O)[O-])c1 ZINC000911491686 982453901 /nfs/dbraw/zinc/45/39/01/982453901.db2.gz PMWRSGGWEMJSOK-AWEZNQCLSA-N -1 0 343.427 3.790 20 0 EHADRM CCCCNc1nc2ccccc2n1Cc1cc(C(=O)[O-])c(C)o1 ZINC001595763329 982471262 /nfs/dbraw/zinc/47/12/62/982471262.db2.gz HSMMFDYKTRKACN-UHFFFAOYSA-N -1 0 327.384 3.896 20 0 EHADRM CCCCNc1ccccc1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001595763371 982471959 /nfs/dbraw/zinc/47/19/59/982471959.db2.gz IWEVUJMDDMMSBY-UHFFFAOYSA-N -1 0 330.359 3.988 20 0 EHADRM Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)CCCCC(=O)[O-] ZINC000911542654 982485429 /nfs/dbraw/zinc/48/54/29/982485429.db2.gz WGTUOTGZBUZTSP-ZDUSSCGKSA-N -1 0 331.334 3.750 20 0 EHADRM CCCCO[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(C(=O)[O-])c2)C1(C)C ZINC001595770517 982508595 /nfs/dbraw/zinc/50/85/95/982508595.db2.gz JDAQKXSZHVPIGK-JKSUJKDBSA-N -1 0 348.443 3.832 20 0 EHADRM C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000911589638 982521157 /nfs/dbraw/zinc/52/11/57/982521157.db2.gz IMGNTPGPUTXNLV-WCBMZHEXSA-N -1 0 349.736 3.841 20 0 EHADRM CC[C@@H](C)[C@H](Sc1nnc(COc2ccc(C)cc2)o1)C(=O)[O-] ZINC001594928660 982540870 /nfs/dbraw/zinc/54/08/70/982540870.db2.gz LMZIKMBKVVVVJM-RISCZKNCSA-N -1 0 336.413 3.548 20 0 EHADRM CCCCSCCC(=O)NC[C@H](C(=O)[O-])C1CCCCCC1 ZINC001595789218 982587884 /nfs/dbraw/zinc/58/78/84/982587884.db2.gz QGPYPODQKZRMHM-HNNXBMFYSA-N -1 0 329.506 3.697 20 0 EHADRM CCCCc1cc(NC(=O)Nc2ccc(F)c(C(=O)[O-])c2C)n[nH]1 ZINC001595791558 982589522 /nfs/dbraw/zinc/58/95/22/982589522.db2.gz BMZOYVHZARPRIG-UHFFFAOYSA-N -1 0 334.351 3.542 20 0 EHADRM CCCCc1cc(N[C@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])ncn1 ZINC001595791930 982591692 /nfs/dbraw/zinc/59/16/92/982591692.db2.gz MHNGWOCHAMJYAL-RHSMWYFYSA-N -1 0 327.428 3.563 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000911667823 982594945 /nfs/dbraw/zinc/59/49/45/982594945.db2.gz LHYMAZRMNJTATB-SNVBAGLBSA-N -1 0 342.222 3.720 20 0 EHADRM CCCCc1ccc(CC(=O)Nc2cnc(C)c(C(=O)[O-])c2)cc1 ZINC001595795922 982599920 /nfs/dbraw/zinc/59/99/20/982599920.db2.gz DWGIXLMHROCSIW-UHFFFAOYSA-N -1 0 326.396 3.612 20 0 EHADRM CCCCc1ccc(NC(=S)Nc2cccc(CC(=O)[O-])n2)cc1 ZINC001595796527 982602725 /nfs/dbraw/zinc/60/27/25/982602725.db2.gz NGIKNHMJWAGHMX-UHFFFAOYSA-N -1 0 343.452 3.860 20 0 EHADRM CC[C@H]1C[C@H](CC(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)CCO1 ZINC000911734498 982619317 /nfs/dbraw/zinc/61/93/17/982619317.db2.gz TVCSBRLCCYOKFB-KGLIPLIRSA-N -1 0 349.427 3.706 20 0 EHADRM CC(C)Oc1c(NC(=O)[C@H](C)c2ccsc2)cccc1C(=O)[O-] ZINC000911738633 982621324 /nfs/dbraw/zinc/62/13/24/982621324.db2.gz GNEGMIZRMONVNA-LLVKDONJSA-N -1 0 333.409 3.976 20 0 EHADRM CC(C)Oc1c(NC(=O)CCc2ccccc2)cccc1C(=O)[O-] ZINC000911738619 982621519 /nfs/dbraw/zinc/62/15/19/982621519.db2.gz GDWSQBJEQCEYRZ-UHFFFAOYSA-N -1 0 327.380 3.743 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)c1cc2c(cccc2N(C)C)s1)C(=O)[O-] ZINC001594945144 982630456 /nfs/dbraw/zinc/63/04/56/982630456.db2.gz NPTWJSHQUJCJEH-AAEUAGOBSA-N -1 0 348.468 3.587 20 0 EHADRM CCCCn1ncc(NC(=O)Nc2ccc(F)c(C(=O)[O-])c2C)c1C ZINC001595807202 982633068 /nfs/dbraw/zinc/63/30/68/982633068.db2.gz FUVKIFHHCBWWTA-UHFFFAOYSA-N -1 0 348.378 3.781 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)c1ccc(OCCC(C)C)cc1)C(=O)[O-] ZINC001594945533 982633425 /nfs/dbraw/zinc/63/34/25/982633425.db2.gz BSCQGMQMIPUYHH-WMLDXEAASA-N -1 0 335.444 3.731 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)NC[C@H](c1ccccc1)C1CC1 ZINC000911757973 982634619 /nfs/dbraw/zinc/63/46/19/982634619.db2.gz UOHPLXAKGGAVFY-LJQANCHMSA-N -1 0 337.419 3.627 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)c1cccc2c1ccn2CC(C)C)C(=O)[O-] ZINC001594945663 982634830 /nfs/dbraw/zinc/63/48/30/982634830.db2.gz FLJMFPDRYGOJEV-WMLDXEAASA-N -1 0 344.455 3.917 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)c1ccc(OC(F)F)c(Cl)c1)C(=O)[O-] ZINC001594946950 982645031 /nfs/dbraw/zinc/64/50/31/982645031.db2.gz UWXSKIBRDHTOCI-KCJUWKMLSA-N -1 0 349.761 3.561 20 0 EHADRM O=C([O-])c1cc(NC(=O)/C=C\c2ccc3ccccc3n2)ccc1F ZINC000914729312 982654598 /nfs/dbraw/zinc/65/45/98/982654598.db2.gz BZZDCMLNNKKQGN-NTMALXAHSA-N -1 0 336.322 3.724 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)c1nc2ccccc2cc1C1CC1)C(=O)[O-] ZINC001594950281 982658789 /nfs/dbraw/zinc/65/87/89/982658789.db2.gz XAAAXDBVRVLKEO-SJCJKPOMSA-N -1 0 340.423 3.731 20 0 EHADRM CCCN(C(=O)[C@H](OCC1CCCC1)c1ccccc1)[C@@H](C)C(=O)[O-] ZINC001595814817 982662226 /nfs/dbraw/zinc/66/22/26/982662226.db2.gz VJIVXLVVENDRLS-MAUKXSAKSA-N -1 0 347.455 3.646 20 0 EHADRM CCCN(C(=O)/C=C\c1ccccc1O[C@H](C)CC)[C@H](C)C(=O)[O-] ZINC001595816374 982672052 /nfs/dbraw/zinc/67/20/52/982672052.db2.gz HXBZFFFPZSXEEF-IWRDHYCXSA-N -1 0 333.428 3.589 20 0 EHADRM CCCN(C(=O)/C=C\c1cccc(OC2CCCC2)c1)[C@@H](C)C(=O)[O-] ZINC001595817224 982679085 /nfs/dbraw/zinc/67/90/85/982679085.db2.gz PVVZWQHLDMOMQE-SSCKCOOKSA-N -1 0 345.439 3.733 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1CCO[C@@H](C(C)C)C1 ZINC000923047304 982698654 /nfs/dbraw/zinc/69/86/54/982698654.db2.gz FJHOJCNFHREHOS-SUMWQHHRSA-N -1 0 349.427 3.562 20 0 EHADRM CCCN(C(=O)c1ccc(/C=C/C(=O)[O-])o1)[C@@H]1CCc2ccccc21 ZINC001595827380 982713201 /nfs/dbraw/zinc/71/32/01/982713201.db2.gz QUMCVCZZZFLJAR-XLNAKTSKSA-N -1 0 339.391 3.917 20 0 EHADRM CCCN(C(=O)c1cn(CC(C)C)c2ccccc12)[C@H](C)C(=O)[O-] ZINC001595829842 982715431 /nfs/dbraw/zinc/71/54/31/982715431.db2.gz FFBINAXVXWLQIU-CQSZACIVSA-N -1 0 330.428 3.623 20 0 EHADRM COc1ccc2c(c1)CC[C@@H](C(=O)Nc1cc(C(=O)[O-])sc1C)C2 ZINC000923093415 982717863 /nfs/dbraw/zinc/71/78/63/982717863.db2.gz TXVPFGVUYUWXKR-CYBMUJFWSA-N -1 0 345.420 3.507 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)CCC[C@H](C)c1cccc(OC)c1 ZINC001594971879 982741324 /nfs/dbraw/zinc/74/13/24/982741324.db2.gz LNHGWSCIYXQARW-LSDHHAIUSA-N -1 0 335.444 3.681 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc(Oc2cc(C)ccn2)cc1 ZINC001594977258 982754359 /nfs/dbraw/zinc/75/43/59/982754359.db2.gz HJLOVNPMNUORNX-AWEZNQCLSA-N -1 0 342.395 3.508 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCCc1ccc(C2CC2)cc1 ZINC000923152832 982765399 /nfs/dbraw/zinc/76/53/99/982765399.db2.gz LIZPBDHJMVRDNJ-RDTXWAMCSA-N -1 0 329.440 3.598 20 0 EHADRM CC[C@@H](C)N1C(=O)N[C@H](c2ccc(Cl)c(F)c2)C(C(=O)[O-])=C1C ZINC001594985138 982797459 /nfs/dbraw/zinc/79/74/59/982797459.db2.gz HFYBKIJTINRTPX-XLKFXECMSA-N -1 0 340.782 3.703 20 0 EHADRM CC(C)=C[C@H]1[C@H](C(=O)Nc2cc(-c3n[nH]c(=O)[n-]3)ccc2C)C1(C)C ZINC000655050608 1014882949 /nfs/dbraw/zinc/88/29/49/1014882949.db2.gz QENDJSOFIMQTQP-DZGCQCFKSA-N -1 0 340.427 3.663 20 0 EHADRM Cc1cc2c(cc1Br)C[N@H+]([C@@H](CC(C)C)C(=O)[O-])CC2 ZINC000923271086 982853975 /nfs/dbraw/zinc/85/39/75/982853975.db2.gz KKRYQCXZIZKNOZ-HNNXBMFYSA-N -1 0 340.261 3.615 20 0 EHADRM CC[C@@H](C)NC(=S)Nc1cc(-c2ccncc2)sc1C(=O)[O-] ZINC001594995403 982894386 /nfs/dbraw/zinc/89/43/86/982894386.db2.gz XOFFVNVVWBSOSD-SECBINFHSA-N -1 0 335.454 3.593 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)N1CCCCC[C@@H]1C(=O)[O-] ZINC001595004218 982917668 /nfs/dbraw/zinc/91/76/68/982917668.db2.gz IDYQBIMWQODKKU-IPBJHCPJSA-N -1 0 345.439 3.733 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001595006399 982923133 /nfs/dbraw/zinc/92/31/33/982923133.db2.gz WXOBFRLVLDHVQE-YLSINNKHSA-N -1 0 340.379 3.609 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(Cl)c(Cl)[nH]2)cc1 ZINC001116301142 982927593 /nfs/dbraw/zinc/92/75/93/982927593.db2.gz TZSRWKDCCYEDMP-NSHDSACASA-N -1 0 341.194 3.576 20 0 EHADRM CC[C@@H](C)c1ccc(OS(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1 ZINC001595009091 982931847 /nfs/dbraw/zinc/93/18/47/982931847.db2.gz CVRDRLPFFHQWGG-GFCCVEGCSA-N -1 0 348.420 3.974 20 0 EHADRM CC[C@@H](C)Oc1ccc(N[C@@H]2CCCn3nc(C(=O)[O-])cc32)cc1 ZINC001595009334 982934828 /nfs/dbraw/zinc/93/48/28/982934828.db2.gz VSFYMZMXYXIJAH-IUODEOHRSA-N -1 0 329.400 3.706 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)Oc2c(OC)cccc2C(=O)[O-])cc1 ZINC001595009749 982936255 /nfs/dbraw/zinc/93/62/55/982936255.db2.gz YAILXOJRXHLABW-LBPRGKRZSA-N -1 0 344.363 3.790 20 0 EHADRM CC[C@@H](C)c1ccc([C@H](NC(=O)NC[C@H](F)C(=O)[O-])C(C)C)cc1 ZINC001595010760 982943531 /nfs/dbraw/zinc/94/35/31/982943531.db2.gz WZFBHKCREHSLPH-UHOFOFEASA-N -1 0 338.423 3.619 20 0 EHADRM CCCN(Cc1ccccc1)C(=O)c1[nH]c(CC)c(C(=O)[O-])c1C ZINC001595899817 982949325 /nfs/dbraw/zinc/94/93/25/982949325.db2.gz NKVWSNRWQJOBKL-UHFFFAOYSA-N -1 0 328.412 3.636 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)N[C@H](CC(C)(C)C)C(=O)[O-] ZINC001595013934 982950092 /nfs/dbraw/zinc/95/00/92/982950092.db2.gz OFRMQROSWBGZHG-DZGCQCFKSA-N -1 0 335.444 3.585 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C ZINC001595014256 982950891 /nfs/dbraw/zinc/95/08/91/982950891.db2.gz QCRXTMLNJYBAND-CJNGLKHVSA-N -1 0 335.444 3.585 20 0 EHADRM CCCNC(=O)c1cccc(NCc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001595931484 983063193 /nfs/dbraw/zinc/06/31/93/983063193.db2.gz LMVFPUPMGAOLAM-UHFFFAOYSA-N -1 0 346.814 3.790 20 0 EHADRM CCCNc1ccc(CNC(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC001595936634 983077132 /nfs/dbraw/zinc/07/71/32/983077132.db2.gz JNSYEEFNMONGFR-UHFFFAOYSA-N -1 0 345.374 3.668 20 0 EHADRM CCCOC1(CNc2ncc(C(=O)[O-])cc2Cl)CCCCC1 ZINC001595941281 983093698 /nfs/dbraw/zinc/09/36/98/983093698.db2.gz AZIGJRSCPILQPR-UHFFFAOYSA-N -1 0 326.824 3.975 20 0 EHADRM CCCOc1ccc(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc1C ZINC001595960176 983149856 /nfs/dbraw/zinc/14/98/56/983149856.db2.gz CBWWCDCTKNODTN-CQSZACIVSA-N -1 0 336.432 3.652 20 0 EHADRM CCCOc1ccc(NC(=O)c2ccc(C(=O)[O-])nc2)cc1C(C)C ZINC001595961173 983157023 /nfs/dbraw/zinc/15/70/23/983157023.db2.gz URGINCVZKTUHII-UHFFFAOYSA-N -1 0 342.395 3.944 20 0 EHADRM CCC[C@@H](NC(=O)c1ccccc1NCCC1=CCCCC1)C(=O)[O-] ZINC001595998266 983255958 /nfs/dbraw/zinc/25/59/58/983255958.db2.gz XCFYPVUKHXGIOD-GOSISDBHSA-N -1 0 344.455 3.972 20 0 EHADRM CCCc1c(C(=O)N(C)Cc2cccc(C)c2C)[nH]c(C)c1C(=O)[O-] ZINC001596029451 983295189 /nfs/dbraw/zinc/29/51/89/983295189.db2.gz LQXDGHDFOZKUMJ-UHFFFAOYSA-N -1 0 342.439 3.863 20 0 EHADRM CCCc1c(C(=O)N[C@@H]2CCc3cc(F)ccc32)[nH]c(C)c1C(=O)[O-] ZINC001596037706 983322724 /nfs/dbraw/zinc/32/27/24/983322724.db2.gz UHPKXTVDCMASTR-OAHLLOKOSA-N -1 0 344.386 3.530 20 0 EHADRM CCCc1c(C(=O)NCc2csc(C)c2C)[nH]c(C)c1C(=O)[O-] ZINC001596042054 983328509 /nfs/dbraw/zinc/32/85/09/983328509.db2.gz MBSBIHGQUFDHOE-UHFFFAOYSA-N -1 0 334.441 3.582 20 0 EHADRM CCCc1cc(C(=O)N[C@@H](C(=O)[O-])c2cccs2)ccc1Cl ZINC001596053249 983354175 /nfs/dbraw/zinc/35/41/75/983354175.db2.gz NCCSBMZVVHCCHX-CQSZACIVSA-N -1 0 337.828 3.910 20 0 EHADRM CCCc1cc(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)ccc1Cl ZINC001596054788 983356511 /nfs/dbraw/zinc/35/65/11/983356511.db2.gz AVDXCPDJBNOVCZ-AWEZNQCLSA-N -1 0 325.836 3.912 20 0 EHADRM CCCc1ccc(C(=O)Nc2c(F)c(OC)ccc2C(=O)[O-])cc1 ZINC001596062850 983373241 /nfs/dbraw/zinc/37/32/41/983373241.db2.gz LCKZXQYMWWRQOI-UHFFFAOYSA-N -1 0 331.343 3.737 20 0 EHADRM CCCc1ccc(NC(=O)NCc2ccc(CC(=O)[O-])cc2)cc1 ZINC001596068861 983383049 /nfs/dbraw/zinc/38/30/49/983383049.db2.gz NONKIZPEPFDKLO-UHFFFAOYSA-N -1 0 326.396 3.588 20 0 EHADRM CCCc1ccccc1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001596070596 983386229 /nfs/dbraw/zinc/38/62/29/983386229.db2.gz ODMGQANHMRKWIB-UHFFFAOYSA-N -1 0 327.380 3.745 20 0 EHADRM CCCc1ccccc1C(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001596070723 983387498 /nfs/dbraw/zinc/38/74/98/983387498.db2.gz WJIUOTXBILOXDW-NRFANRHFSA-N -1 0 337.419 3.508 20 0 EHADRM CCCc1nc(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)co1 ZINC001596077270 983393345 /nfs/dbraw/zinc/39/33/45/983393345.db2.gz GVFTWUHQBUKDKC-UHFFFAOYSA-N -1 0 330.365 3.792 20 0 EHADRM CCCc1nc(C)c(C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)s1 ZINC001596082467 983401019 /nfs/dbraw/zinc/40/10/19/983401019.db2.gz YEUWOOZZRHBNJA-UHFFFAOYSA-N -1 0 343.408 3.836 20 0 EHADRM CCCc1nc(CNc2ccc(Cl)c(C(=O)[O-])c2Cl)no1 ZINC001596089861 983413946 /nfs/dbraw/zinc/41/39/46/983413946.db2.gz OVIQQURIHTXMKI-UHFFFAOYSA-N -1 0 330.171 3.639 20 0 EHADRM CCCn1nccc1C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC001596121761 983460272 /nfs/dbraw/zinc/46/02/72/983460272.db2.gz INPGJUPWXZNBRH-UHFFFAOYSA-N -1 0 347.440 3.574 20 0 EHADRM CCN(C(=O)CCCc1ccc(F)cc1)c1ccccc1C(=O)[O-] ZINC001596137658 983487019 /nfs/dbraw/zinc/48/70/19/983487019.db2.gz PSHLHCUDWXSTLO-UHFFFAOYSA-N -1 0 329.371 3.900 20 0 EHADRM CCN(C(=O)CCc1ccccc1C(=O)[O-])c1cccc(C)c1F ZINC001596140078 983492751 /nfs/dbraw/zinc/49/27/51/983492751.db2.gz QHGWXDQDNHJHHF-UHFFFAOYSA-N -1 0 329.371 3.818 20 0 EHADRM CCN(C(=O)CSCc1ccccc1C(=O)[O-])C1CCCCC1 ZINC001596142865 983495321 /nfs/dbraw/zinc/49/53/21/983495321.db2.gz FKSDVKUURVYYNJ-UHFFFAOYSA-N -1 0 335.469 3.799 20 0 EHADRM CCN(C(=O)c1cc(C(F)F)ccc1F)c1ncc(C(=O)[O-])s1 ZINC001596164897 983528459 /nfs/dbraw/zinc/52/84/59/983528459.db2.gz WSYKQROCPPQWOD-UHFFFAOYSA-N -1 0 344.314 3.585 20 0 EHADRM CCN(CC(=O)Nc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001596209964 983601834 /nfs/dbraw/zinc/60/18/34/983601834.db2.gz YLCYGJAGCUNYRH-UHFFFAOYSA-N -1 0 332.787 3.503 20 0 EHADRM CCN(CC)[C@H](C(=O)O[C@@H](C)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC001596254015 983660338 /nfs/dbraw/zinc/66/03/38/983660338.db2.gz WUOUUASXGZWWMA-GUYCJALGSA-N -1 0 345.395 3.665 20 0 EHADRM CCN(Cc1c[nH]c2ccccc12)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001596354390 983817732 /nfs/dbraw/zinc/81/77/32/983817732.db2.gz NZMCEJJCDYPCCA-CSKARUKUSA-N -1 0 338.363 3.521 20 0 EHADRM CCN(Cc1ccccc1C)C(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001596371825 983873783 /nfs/dbraw/zinc/87/37/83/983873783.db2.gz OMSYLBFALKJTDP-RXVVDRJESA-N -1 0 337.419 3.602 20 0 EHADRM CCNc1nnc(S[C@@H](C(=O)[O-])c2ccccc2Cl)s1 ZINC001596509136 984268805 /nfs/dbraw/zinc/26/88/05/984268805.db2.gz BENXZGYYIMWVQL-SECBINFHSA-N -1 0 329.834 3.541 20 0 EHADRM C=COc1ccc(NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC001588913371 984555191 /nfs/dbraw/zinc/55/51/91/984555191.db2.gz ASWMMXHFBWSHEO-UHFFFAOYSA-N -1 0 334.278 3.829 20 0 EHADRM C=COc1ccc(NC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])cc1 ZINC001588914028 984557266 /nfs/dbraw/zinc/55/72/66/984557266.db2.gz ORXSZHGOSOINJI-UHFFFAOYSA-N -1 0 336.347 3.570 20 0 EHADRM C/C(=C\C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1C ZINC001588938752 984624141 /nfs/dbraw/zinc/62/41/41/984624141.db2.gz KNZLWYMZUHAWHE-BJRSVTDJSA-N -1 0 341.382 3.522 20 0 EHADRM C/C(=C/C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)c1cccc(Cl)c1 ZINC001588939981 984631930 /nfs/dbraw/zinc/63/19/30/984631930.db2.gz VYHNESACZXNDCP-HTZIURCHSA-N -1 0 347.842 3.988 20 0 EHADRM C/C(=C\C(=O)NCCc1ccccc1C(=O)[O-])c1ccccc1Cl ZINC001588942337 984635607 /nfs/dbraw/zinc/63/56/07/984635607.db2.gz HSWUYCROWFOZIT-OUKQBFOZSA-N -1 0 343.810 3.800 20 0 EHADRM C/C(=C\C(=O)Nc1ccc(CC(=O)[O-])c(F)c1)c1cccc(F)c1 ZINC001588943813 984641868 /nfs/dbraw/zinc/64/18/68/984641868.db2.gz DRHVABSBOYFKSR-YRNVUSSQSA-N -1 0 331.318 3.634 20 0 EHADRM C/C(=C/C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)c1cccs1 ZINC001588944571 984649121 /nfs/dbraw/zinc/64/91/21/984649121.db2.gz ZKMLPNWTPDPSDY-UBGRJXSISA-N -1 0 327.405 3.978 20 0 EHADRM C[C@H](NC(=O)C1(c2ccc(C(C)(C)C)cc2)CCCCC1)C(=O)[O-] ZINC001599893256 984722180 /nfs/dbraw/zinc/72/21/80/984722180.db2.gz IMPUHVWOCZIYDV-AWEZNQCLSA-N -1 0 331.456 3.775 20 0 EHADRM C[C@H](NC(=O)NCc1ccc(C(=O)[O-])s1)c1ccccc1Cl ZINC001599894139 984731447 /nfs/dbraw/zinc/73/14/47/984731447.db2.gz NHFWZBAXNCWUGG-VIFPVBQESA-N -1 0 338.816 3.660 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])cc1F)c1ccc2c(c1)CCCC2 ZINC001599900706 984817821 /nfs/dbraw/zinc/81/78/21/984817821.db2.gz QUZSPSRVRLHXCY-LBPRGKRZSA-N -1 0 341.382 3.894 20 0 EHADRM C[C@H](OC(=O)CCc1cccc(F)c1F)c1ccc(C(=O)[O-])cc1 ZINC001599903906 984897061 /nfs/dbraw/zinc/89/70/61/984897061.db2.gz PYYMEPSXBFVWAX-NSHDSACASA-N -1 0 334.318 3.900 20 0 EHADRM C/C(=C/c1c(Cl)cccc1Cl)C(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC001588995134 984921058 /nfs/dbraw/zinc/92/10/58/984921058.db2.gz FITVDPPKOPJOJO-HLRDLLSLSA-N -1 0 342.222 3.766 20 0 EHADRM C/C(=C\c1c(Cl)cccc1Cl)C(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC001588995136 984921204 /nfs/dbraw/zinc/92/12/04/984921204.db2.gz FITVDPPKOPJOJO-ROJDOSBLSA-N -1 0 342.222 3.766 20 0 EHADRM C/C(=C/c1c(Cl)cccc1Cl)C(=O)N[C@H](C(=O)[O-])C(C)C ZINC001588995433 984923580 /nfs/dbraw/zinc/92/35/80/984923580.db2.gz JUOOCEHHONMPKV-JWJUJFCLSA-N -1 0 330.211 3.622 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001588998392 984934982 /nfs/dbraw/zinc/93/49/82/984934982.db2.gz KHXPXYKXSFTLBE-QXFGJRORSA-N -1 0 333.403 3.769 20 0 EHADRM C/C(=C\c1cccc(Cl)c1)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001589000894 984942868 /nfs/dbraw/zinc/94/28/68/984942868.db2.gz FPXUINNGAKGJCR-ACCUITESSA-N -1 0 343.810 3.800 20 0 EHADRM C/C(=C\c1ccccn1)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001589005186 984962698 /nfs/dbraw/zinc/96/26/98/984962698.db2.gz CDSIOSGFAWHOIT-OUKQBFOZSA-N -1 0 332.359 3.975 20 0 EHADRM C/C(=C\c1cccnc1)C(=O)Oc1cc2ccccc2cc1C(=O)[O-] ZINC001589010659 984981482 /nfs/dbraw/zinc/98/14/82/984981482.db2.gz ORWQPNDGEKRXBG-UKTHLTGXSA-N -1 0 333.343 3.942 20 0 EHADRM CC(=O)[C@@H](C)CCCCC(=O)Oc1ccc(Cl)cc1C(=O)[O-] ZINC001589022461 985015736 /nfs/dbraw/zinc/01/57/36/985015736.db2.gz BKHREQWCSKQKQO-JTQLQIEISA-N -1 0 326.776 3.729 20 0 EHADRM C[C@H]1CN(C(=O)C2(c3cccc(F)c3)CCCCC2)C[C@]1(C)C(=O)[O-] ZINC001599914562 985035653 /nfs/dbraw/zinc/03/56/53/985035653.db2.gz ABQFHKLFGFQSSL-LIRRHRJNSA-N -1 0 347.430 3.597 20 0 EHADRM C[C@H]1CN(C(=O)N[C@H](c2ccccc2)C(C)(C)C)CC[C@H]1C(=O)[O-] ZINC001599917322 985077214 /nfs/dbraw/zinc/07/72/14/985077214.db2.gz NQJIZTCMOJEJRJ-NUEKZKHPSA-N -1 0 332.444 3.526 20 0 EHADRM CC(=O)N(c1ccc(NCc2ccsc2C(=O)[O-])cc1)[C@@H]1C[C@@H]1C ZINC001589051475 985139363 /nfs/dbraw/zinc/13/93/63/985139363.db2.gz ILBVQEDKWRVMQI-MEDUHNTESA-N -1 0 344.436 3.820 20 0 EHADRM CC(=O)N(c1ccc(N[C@@H](C(=O)[O-])c2ccccc2C)cc1)C1CC1 ZINC001589052408 985147366 /nfs/dbraw/zinc/14/73/66/985147366.db2.gz ZZBKRPZFOQQYGH-LJQANCHMSA-N -1 0 338.407 3.748 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2Cl)C[C@]1(C)C(=O)[O-] ZINC001599923952 985175460 /nfs/dbraw/zinc/17/54/60/985175460.db2.gz PLHHMPJAIKHLOB-RTHLEPHNSA-N -1 0 349.736 3.542 20 0 EHADRM CCO[C@@H](C(=O)Nc1c(CC)cccc1C(=O)[O-])c1ccccc1 ZINC001596768485 985186623 /nfs/dbraw/zinc/18/66/23/985186623.db2.gz ZQNURWZOTSOTOS-QGZVFWFLSA-N -1 0 327.380 3.664 20 0 EHADRM CCO[C@@H](CCNc1cc(C(F)(F)F)c(C(=O)[O-])cn1)C(C)C ZINC001596784718 985252020 /nfs/dbraw/zinc/25/20/20/985252020.db2.gz VYJIZHNVGLICHT-LBPRGKRZSA-N -1 0 334.338 3.662 20 0 EHADRM C[C@H]1c2ccccc2C[C@H]1NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001599936750 985405486 /nfs/dbraw/zinc/40/54/86/985405486.db2.gz ACWVUBLBLAOYQG-BJOHPYRUSA-N -1 0 346.333 3.513 20 0 EHADRM C[C@H]1Cc2ccccc2N(C(=O)/C=C\C2CCCCC2)[C@H]1C(=O)[O-] ZINC001599937489 985413397 /nfs/dbraw/zinc/41/33/97/985413397.db2.gz RFCNVHJXNINGQU-KZUGXZLUSA-N -1 0 327.424 3.802 20 0 EHADRM C[C@]1(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)C[C@@H]1c1ccccc1 ZINC001599937879 985418632 /nfs/dbraw/zinc/41/86/32/985418632.db2.gz NJZWVOURQUYIGQ-BEFAXECRSA-N -1 0 327.355 3.585 20 0 EHADRM C[C@]1(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C[C@@H]1c1ccccc1 ZINC001599938053 985420074 /nfs/dbraw/zinc/42/00/74/985420074.db2.gz XHXXTFJMVFOYOF-XIKOKIGWSA-N -1 0 331.318 3.795 20 0 EHADRM C[C@]12CCCC[C@H]1CN2C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001599938320 985423441 /nfs/dbraw/zinc/42/34/41/985423441.db2.gz LCIQJWIMFGXQOH-FVMDXXJSSA-N -1 0 340.782 3.974 20 0 EHADRM CCO[C@H]1C[C@@H](NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)C1(CC)CC ZINC001596825263 985431476 /nfs/dbraw/zinc/43/14/76/985431476.db2.gz ZXBMUVPGUFYQKG-CVEARBPZSA-N -1 0 348.443 3.799 20 0 EHADRM CCO[C@@H]1C[C@@](NC(=O)c2ccc([C@H](C)CC)cc2)(C(=O)[O-])C1(C)C ZINC001596827582 985441908 /nfs/dbraw/zinc/44/19/08/985441908.db2.gz IRUMCHHKNIYCMO-OWDMVUQNSA-N -1 0 347.455 3.588 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)N2CCCC3(CCCC3)CC2)c(C)c1C(=O)[O-] ZINC001599945058 985511112 /nfs/dbraw/zinc/51/11/12/985511112.db2.gz MSUXTMQUSDOSON-HNNXBMFYSA-N -1 0 346.471 3.947 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)c2ccccc21 ZINC001594480101 985519420 /nfs/dbraw/zinc/51/94/20/985519420.db2.gz NJHRSRZEZLKXTP-ZDUSSCGKSA-N -1 0 340.379 3.696 20 0 EHADRM Cc1[nH]c(C(=O)COc2cc(Cl)cc(Cl)c2)c(C)c1C(=O)[O-] ZINC001599947278 985550309 /nfs/dbraw/zinc/55/03/09/985550309.db2.gz FUPJWWPYIFUULP-UHFFFAOYSA-N -1 0 342.178 3.898 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)Sc2ncc(C(C)C)n2C)c(C)c1C(=O)[O-] ZINC001599947402 985551472 /nfs/dbraw/zinc/55/14/72/985551472.db2.gz CLBZAGWVPYNEBQ-NSHDSACASA-N -1 0 349.456 3.550 20 0 EHADRM Cc1[nH]c(C(=O)[C@@H](C)SCCc2cccs2)c(C)c1C(=O)[O-] ZINC001599948325 985567030 /nfs/dbraw/zinc/56/70/30/985567030.db2.gz MTXGROLCBGNDHH-LLVKDONJSA-N -1 0 337.466 3.938 20 0 EHADRM Cc1[nH]c(C(=O)NCCc2ccc(C(C)(C)C)cc2)c(C)c1C(=O)[O-] ZINC001599952172 985626927 /nfs/dbraw/zinc/62/69/27/985626927.db2.gz JUQHDIMUSHZNCE-UHFFFAOYSA-N -1 0 342.439 3.600 20 0 EHADRM CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC001589204753 985662940 /nfs/dbraw/zinc/66/29/40/985662940.db2.gz CEXCDVBISHPNKJ-PIGZYNQJSA-N -1 0 346.814 3.775 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC001599955568 985682820 /nfs/dbraw/zinc/68/28/20/985682820.db2.gz LTMOJLYLLFDOHV-LBPRGKRZSA-N -1 0 342.439 3.814 20 0 EHADRM CC(=O)Nc1nc(CSc2cc(Cl)ccc2C(=O)[O-])cs1 ZINC001589224466 985744972 /nfs/dbraw/zinc/74/49/72/985744972.db2.gz FNAOYPYMNRRPPQ-UHFFFAOYSA-N -1 0 342.829 3.745 20 0 EHADRM CC(=O)[C@@H]1C[C@H](C(=O)Nc2scc(C3CC3)c2C(=O)[O-])C1(C)C ZINC001589230862 985779737 /nfs/dbraw/zinc/77/97/37/985779737.db2.gz JTKKFGZIQNLLSV-NWDGAFQWSA-N -1 0 335.425 3.514 20 0 EHADRM CC(=O)c1c(C)cc(C)c(COC(=O)c2ccc(C(=O)[O-])cc2)c1C ZINC001589254365 985883683 /nfs/dbraw/zinc/88/36/83/985883683.db2.gz IGWPEUZZJMKTIK-UHFFFAOYSA-N -1 0 340.375 3.870 20 0 EHADRM CC(=O)c1cc(C(=O)Nc2cccc(C(=O)[O-])c2Cl)c(C)nc1C ZINC001589262481 985930227 /nfs/dbraw/zinc/93/02/27/985930227.db2.gz ZHCGUBCNNSUSFA-UHFFFAOYSA-N -1 0 346.770 3.505 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)CCCc1ccsc1 ZINC001589265447 985940339 /nfs/dbraw/zinc/94/03/39/985940339.db2.gz ZWPTXPKCEFNYLC-UHFFFAOYSA-N -1 0 332.377 3.577 20 0 EHADRM CC(=O)c1ccc(C(=O)Oc2ccc(C(=O)[O-])cc2Cl)cc1C ZINC001589278403 985998799 /nfs/dbraw/zinc/99/87/99/985998799.db2.gz CQXRJNVISKQRGY-UHFFFAOYSA-N -1 0 332.739 3.768 20 0 EHADRM Cc1c(Br)cccc1CN1Cc2ccc(C(=O)[O-])cc2C1 ZINC001599972516 986031549 /nfs/dbraw/zinc/03/15/49/986031549.db2.gz MRUULCXZDUHACD-UHFFFAOYSA-N -1 0 346.224 3.972 20 0 EHADRM Cc1c(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)cnc2ccccc12 ZINC001599976270 986096135 /nfs/dbraw/zinc/09/61/35/986096135.db2.gz WOSKVTNEIKTVNI-INIZCTEOSA-N -1 0 346.386 3.762 20 0 EHADRM CCOCc1cccc(NC(=O)NC2(CC(=O)[O-])CCCCC2)c1 ZINC001596949394 986102209 /nfs/dbraw/zinc/10/22/09/986102209.db2.gz GJKBALIUSOEAPA-UHFFFAOYSA-N -1 0 334.416 3.522 20 0 EHADRM C[C@H]1CN(CCOc2ccccc2C(=O)[O-])c2cc(Cl)ccc2O1 ZINC001594531786 986125086 /nfs/dbraw/zinc/12/50/86/986125086.db2.gz OKOUOMCKWVDPSW-LBPRGKRZSA-N -1 0 347.798 3.705 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001599978672 986130424 /nfs/dbraw/zinc/13/04/24/986130424.db2.gz JKIFOYUNTUYMAR-MRVPVSSYSA-N -1 0 348.355 3.526 20 0 EHADRM Cc1c(F)c(C(F)(F)F)ccc1C(=O)NC1(CC(=O)[O-])CCCC1 ZINC001599979108 986136748 /nfs/dbraw/zinc/13/67/48/986136748.db2.gz FGCJVQIACOYICW-UHFFFAOYSA-N -1 0 347.308 3.670 20 0 EHADRM CCON(CC1CCCCC1)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001596963679 986162568 /nfs/dbraw/zinc/16/25/68/986162568.db2.gz OKMHBTSDFIQSPZ-UHFFFAOYSA-N -1 0 340.464 3.565 20 0 EHADRM CCON(Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cc1CC ZINC001596968220 986181693 /nfs/dbraw/zinc/18/16/93/986181693.db2.gz GGWHRYJPNXZFMX-UHFFFAOYSA-N -1 0 342.395 3.933 20 0 EHADRM Cc1c(C(=O)Nc2cccc(C(=O)[O-])c2N)sc2cccc(F)c12 ZINC001599984050 986206080 /nfs/dbraw/zinc/20/60/80/986206080.db2.gz PAUVBGLGDTZQNO-UHFFFAOYSA-N -1 0 344.367 3.882 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)Cc1ccc(F)cc1 ZINC001597008776 986336956 /nfs/dbraw/zinc/33/69/56/986336956.db2.gz DLCIVENIZKFHFI-GFCCVEGCSA-N -1 0 345.370 3.740 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](CC)CC(F)(F)F ZINC001597008993 986338700 /nfs/dbraw/zinc/33/87/00/986338700.db2.gz IBRWPVFOLPMYDR-VIFPVBQESA-N -1 0 333.306 3.701 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N(C)Cc1cccs1 ZINC001597015687 986369636 /nfs/dbraw/zinc/36/96/36/986369636.db2.gz SKQKNJVNWFPQPJ-UHFFFAOYSA-N -1 0 334.397 3.509 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CCCC2(CCCC2)C1 ZINC001597017064 986390184 /nfs/dbraw/zinc/39/01/84/986390184.db2.gz SCQNZHSXSWTAJG-UHFFFAOYSA-N -1 0 346.427 3.972 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1ccc2cccnc2c1 ZINC001597024622 986429148 /nfs/dbraw/zinc/42/91/48/986429148.db2.gz BGLMPBRFRXJEPN-UHFFFAOYSA-N -1 0 336.347 3.584 20 0 EHADRM C[C@H]1Cc2cc(C(=O)Oc3ccc(C(=O)[O-])c(Cl)c3)ccc2O1 ZINC001594616471 986636253 /nfs/dbraw/zinc/63/62/53/986636253.db2.gz WAIIIGAMDWKUFP-VIFPVBQESA-N -1 0 332.739 3.581 20 0 EHADRM C[C@H]1Cc2cc(Cl)ccc2N1C(=O)c1cccc(CC(=O)[O-])c1 ZINC001594616902 986637967 /nfs/dbraw/zinc/63/79/67/986637967.db2.gz YNAAIPROAVWWEW-NSHDSACASA-N -1 0 329.783 3.559 20 0 EHADRM C[C@H](C(=O)NCc1ccc(C(=O)[O-])s1)c1ccc(Cl)s1 ZINC001589414730 986638081 /nfs/dbraw/zinc/63/80/81/986638081.db2.gz LJLFHFCPNNNBAB-ZETCQYMHSA-N -1 0 329.830 3.581 20 0 EHADRM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001594618877 986643540 /nfs/dbraw/zinc/64/35/40/986643540.db2.gz MAATUOSTZFIOBK-QWRGUYRKSA-N -1 0 345.345 3.811 20 0 EHADRM C[C@H]1Cc2ccccc2[C@H]1NC(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001594623050 986671339 /nfs/dbraw/zinc/67/13/39/986671339.db2.gz RPCGKYBLFXOQCT-VOJFVSQTSA-N -1 0 342.370 3.508 20 0 EHADRM C[C@@H](C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)c1ccc(F)cc1F ZINC001589439678 986778240 /nfs/dbraw/zinc/77/82/40/986778240.db2.gz ZNTHGBAAQZUTQO-HPEXNQPKSA-N -1 0 345.345 3.895 20 0 EHADRM C[C@@H](C(=O)Nc1cccnc1SCCC(=O)[O-])c1cccc(F)c1 ZINC001589444027 986794561 /nfs/dbraw/zinc/79/45/61/986794561.db2.gz HYUGVTFBBTZTJY-LLVKDONJSA-N -1 0 348.399 3.530 20 0 EHADRM C[C@@H](C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1)[C@@H](C)C(C)(C)C ZINC001589445192 986808121 /nfs/dbraw/zinc/80/81/21/986808121.db2.gz WDDHLWQQIFEYBX-NXEZZACHSA-N -1 0 326.462 3.762 20 0 EHADRM CCOc1ccc(NC(=S)Nc2scc(C)c2C(=O)[O-])cc1 ZINC001597122396 986816408 /nfs/dbraw/zinc/81/64/08/986816408.db2.gz AGJCBXOMEZUYPR-UHFFFAOYSA-N -1 0 336.438 3.962 20 0 EHADRM C[C@@H]1OCC[C@H]1S[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001594648862 986857388 /nfs/dbraw/zinc/85/73/88/986857388.db2.gz ODANVJIJZKLUHU-ZWKOPEQDSA-N -1 0 334.359 3.612 20 0 EHADRM CCOc1cccc(CCC(=O)Nc2ccc(F)c(C(=O)[O-])c2C)c1 ZINC001597153231 986937015 /nfs/dbraw/zinc/93/70/15/986937015.db2.gz GFVXZHKARWJIKN-UHFFFAOYSA-N -1 0 345.370 3.802 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1coc2cc(F)ccc21)c1ccccc1 ZINC001589469387 986941034 /nfs/dbraw/zinc/94/10/34/986941034.db2.gz KVNSYRZGIDHRCI-APPDUMDISA-N -1 0 341.338 3.764 20 0 EHADRM C[C@H]1SCCN(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)[C@H]1C ZINC001594664751 986955299 /nfs/dbraw/zinc/95/52/99/986955299.db2.gz YHQXJVBTMOWFDC-JGVFFNPUSA-N -1 0 346.811 3.535 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)CC1CCC(C(F)(F)F)CC1)C1CCC1 ZINC001589470709 986955649 /nfs/dbraw/zinc/95/56/49/986955649.db2.gz BKPCOBSRIAPAAW-UNXYVOJBSA-N -1 0 335.366 3.599 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)CCCCCc1ccc(F)cc1)C1CCC1 ZINC001589471030 986958796 /nfs/dbraw/zinc/95/87/96/986958796.db2.gz FWURFHLUDGGBOY-CQSZACIVSA-N -1 0 335.419 3.783 20 0 EHADRM CCOc1ccccc1-c1nnc(S[C@H](C(=O)[O-])[C@@H](C)CC)o1 ZINC001597168067 986995149 /nfs/dbraw/zinc/99/51/49/986995149.db2.gz WNPMNLYYJPDJBR-GWCFXTLKSA-N -1 0 336.413 3.727 20 0 EHADRM CCOc1ccccc1CNC(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001597172755 987007253 /nfs/dbraw/zinc/00/72/53/987007253.db2.gz QJNWURAKRODULA-UHFFFAOYSA-N -1 0 348.424 3.784 20 0 EHADRM CCOc1ccccc1CCC(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC001597173663 987021845 /nfs/dbraw/zinc/02/18/45/987021845.db2.gz MVMSZGSGQNIOGG-UHFFFAOYSA-N -1 0 348.782 3.975 20 0 EHADRM CCOc1ccccc1CCC(=O)OC1CCC(CC(=O)[O-])CC1 ZINC001597174079 987024269 /nfs/dbraw/zinc/02/42/69/987024269.db2.gz ZYYNAHNWEDHJNU-UHFFFAOYSA-N -1 0 334.412 3.595 20 0 EHADRM C/C=C/COc1cccc(CC(=O)Nc2ccc(C)cc2C(=O)[O-])c1 ZINC001594689039 987072689 /nfs/dbraw/zinc/07/26/89/987072689.db2.gz MGGPHFZHAZFAKP-ONEGZZNKSA-N -1 0 339.391 3.829 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)C(F)(F)Cc2ccccc2)cc1 ZINC001589505545 987121313 /nfs/dbraw/zinc/12/13/13/987121313.db2.gz ZTXUPSRXSOVFCA-GFCCVEGCSA-N -1 0 333.334 3.691 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N[C@@H]2C[C@]2(F)c2ccccc2)cc1 ZINC001589512394 987150100 /nfs/dbraw/zinc/15/01/00/987150100.db2.gz KOBINPBLBDSOGO-MOFZMDFASA-N -1 0 342.370 3.634 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NCc2cscc2Cl)cc1 ZINC001589513011 987153579 /nfs/dbraw/zinc/15/35/79/987153579.db2.gz XHVWTHXUPMPYFF-VIFPVBQESA-N -1 0 338.816 3.911 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2csc(C(F)(F)F)n2)cc1 ZINC001589521862 987170967 /nfs/dbraw/zinc/17/09/67/987170967.db2.gz VHXOITQSFKCXNM-SSDOTTSWSA-N -1 0 344.314 3.602 20 0 EHADRM CCC(=O)c1ccc(OCCOc2ccc(C=CC(=O)[O-])cc2)cc1 ZINC001594721119 987202875 /nfs/dbraw/zinc/20/28/75/987202875.db2.gz PUKNUTOXLKEVGN-XGICHPGQSA-N -1 0 340.375 3.835 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cnc(-c3ccco3)s2)c1 ZINC001589532778 987218417 /nfs/dbraw/zinc/21/84/17/987218417.db2.gz VTZFJCWXGWMHIV-SNVBAGLBSA-N -1 0 342.376 3.844 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)CCc2cnc3ccccc3c2)c1 ZINC001589533342 987225193 /nfs/dbraw/zinc/22/51/93/987225193.db2.gz MJMMSQXGOQIXKH-AWEZNQCLSA-N -1 0 348.402 3.994 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)Cc2coc3cc(F)ccc23)c1 ZINC001589533310 987225377 /nfs/dbraw/zinc/22/53/77/987225377.db2.gz LPVOKIMSRMPTAZ-LLVKDONJSA-N -1 0 341.338 3.941 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)Cc2cccc3ncccc23)c1 ZINC001589533505 987228387 /nfs/dbraw/zinc/22/83/87/987228387.db2.gz RADBAWFTQUAXMO-ZDUSSCGKSA-N -1 0 334.375 3.604 20 0 EHADRM CCS[C@H](C(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C)C(C)C ZINC001597250848 987237405 /nfs/dbraw/zinc/23/74/05/987237405.db2.gz ARDOMMTYFRKHCK-INIZCTEOSA-N -1 0 349.452 3.868 20 0 EHADRM CC[C@H](C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21)C1CCC(C)CC1 ZINC001594729647 987244495 /nfs/dbraw/zinc/24/44/95/987244495.db2.gz JRWOEHQSDPNSDY-GULCKSEBSA-N -1 0 345.439 3.718 20 0 EHADRM CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2scc(C)c2C(=O)[O-])C1 ZINC001597255247 987253156 /nfs/dbraw/zinc/25/31/56/987253156.db2.gz AVUYIMWRNAQTAS-MNOVXSKESA-N -1 0 342.486 3.893 20 0 EHADRM CCSCC[C@H](C)N(C)C(=O)Nc1scc(C)c1C(=O)[O-] ZINC001597259059 987276609 /nfs/dbraw/zinc/27/66/09/987276609.db2.gz DUDREPAZUOMGDA-JTQLQIEISA-N -1 0 330.475 3.750 20 0 EHADRM CCSCc1cccc(NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1 ZINC001597265457 987297641 /nfs/dbraw/zinc/29/76/41/987297641.db2.gz XKMLRQROVHYBEE-JKSUJKDBSA-N -1 0 348.468 3.514 20 0 EHADRM CCSc1ccc(C(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)cn1 ZINC001597271204 987317977 /nfs/dbraw/zinc/31/79/77/987317977.db2.gz ZRZJHEIWHLLHLE-UHFFFAOYSA-N -1 0 345.420 3.775 20 0 EHADRM CCSc1ccc(CC(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC001597273207 987327017 /nfs/dbraw/zinc/32/70/17/987327017.db2.gz TYKPCNJNRAIKDV-UHFFFAOYSA-N -1 0 329.421 3.607 20 0 EHADRM CCSc1cccc(C(=O)Nc2ccc(OCC(=O)[O-])cc2C)c1 ZINC001597273446 987328910 /nfs/dbraw/zinc/32/89/10/987328910.db2.gz VOMUDPDCZIHINK-UHFFFAOYSA-N -1 0 345.420 3.823 20 0 EHADRM CCSc1cccnc1C(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC001597279219 987340131 /nfs/dbraw/zinc/34/01/31/987340131.db2.gz DSHDJAHVCVZLRW-SNVBAGLBSA-N -1 0 335.381 3.711 20 0 EHADRM CC(C)(C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)c1cccnc1 ZINC001589576768 987356195 /nfs/dbraw/zinc/35/61/95/987356195.db2.gz SROQHPXMSSCIBP-UHFFFAOYSA-N -1 0 340.404 3.911 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)NC1(C)C(C)(C)C1(C)C)c1ccccc1 ZINC001589593646 987407995 /nfs/dbraw/zinc/40/79/95/987407995.db2.gz IJDOTYKOLDPVLD-CQSZACIVSA-N -1 0 346.471 3.962 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1ccsc1Cl)c1ccccc1 ZINC001589602342 987432267 /nfs/dbraw/zinc/43/22/67/987432267.db2.gz YJCZIJCTYBSQCI-LBPRGKRZSA-N -1 0 337.828 3.983 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)/C(F)=C\C2CCCCC2)C1 ZINC001589602723 987436650 /nfs/dbraw/zinc/43/66/50/987436650.db2.gz JDJCPJUWZBDMOW-AYYGCFCKSA-N -1 0 325.424 3.770 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001589611747 987467497 /nfs/dbraw/zinc/46/74/97/987467497.db2.gz VXAVPXPCJVYZCD-YRNRMSPPSA-N -1 0 329.440 3.530 20 0 EHADRM CCc1[nH]c(C(=O)N2CCC(c3ccsc3)CC2)c(C)c1C(=O)[O-] ZINC001597361215 987517988 /nfs/dbraw/zinc/51/79/88/987517988.db2.gz OKOWZEZWRALVKC-UHFFFAOYSA-N -1 0 346.452 3.665 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)/C=C\C=C(Cl)Cl)cc1 ZINC001589633890 987547780 /nfs/dbraw/zinc/54/77/80/987547780.db2.gz KTJXZPQDLLMKKZ-HYXAFXHYSA-N -1 0 328.195 3.863 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N2CC[C@@H](C3CCC3)C2)cc1 ZINC001589636523 987554807 /nfs/dbraw/zinc/55/48/07/987554807.db2.gz XMFZNGRPDCAJGD-CQSZACIVSA-N -1 0 330.428 3.703 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2ccc(-c3c[nH]cn3)cc2)cc1 ZINC001589638817 987562424 /nfs/dbraw/zinc/56/24/24/987562424.db2.gz XQTFDORZMXACEV-UHFFFAOYSA-N -1 0 349.390 3.691 20 0 EHADRM CCc1c(C(=O)Nc2c(C)sc(C)c2C(=O)[O-])cnn1CC(C)C ZINC001597411702 987701695 /nfs/dbraw/zinc/70/16/95/987701695.db2.gz LKGDZLZYDJBSMC-UHFFFAOYSA-N -1 0 349.456 3.730 20 0 EHADRM CCc1c(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)cnn1C1CCCC1 ZINC001597412239 987703895 /nfs/dbraw/zinc/70/38/95/987703895.db2.gz AFSANWXXYZLATO-NSHDSACASA-N -1 0 346.383 3.770 20 0 EHADRM CC(C)(C(=O)OCc1cc(C(=O)[O-])ccc1Cl)c1ccc(O)cc1 ZINC001589680996 987708826 /nfs/dbraw/zinc/70/88/26/987708826.db2.gz LXOUWYNNABGIEJ-UHFFFAOYSA-N -1 0 348.782 3.765 20 0 EHADRM CCc1cc(C(=O)NC[C@@H](CC)C(=O)[O-])sc1-c1ccccc1 ZINC001597429433 987763598 /nfs/dbraw/zinc/76/35/98/987763598.db2.gz DKKHXMXVXIOTLB-CYBMUJFWSA-N -1 0 331.437 3.818 20 0 EHADRM CCc1cc(C(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)ccc1O ZINC001597430053 987769925 /nfs/dbraw/zinc/76/99/25/987769925.db2.gz YVWHFQWXRPBQIW-QGZVFWFLSA-N -1 0 347.455 3.888 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC001589696645 987776466 /nfs/dbraw/zinc/77/64/66/987776466.db2.gz JNZQFBPKNCRAPT-UHFFFAOYSA-N -1 0 331.393 3.927 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC001589702321 987797400 /nfs/dbraw/zinc/79/74/00/987797400.db2.gz CCZDJTFBAVKCIC-SNVBAGLBSA-N -1 0 348.230 3.587 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)C(=O)c2ccc(Cl)s2)s1 ZINC001597441450 987804674 /nfs/dbraw/zinc/80/46/74/987804674.db2.gz XMSZLGMNEGUOCA-UHFFFAOYSA-N -1 0 343.813 3.545 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2cc(=O)[nH]c3ccccc32)s1 ZINC001597442475 987805742 /nfs/dbraw/zinc/80/57/42/987805742.db2.gz BPURVRKSJUZPRI-UHFFFAOYSA-N -1 0 342.376 3.515 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)/C(=C\c1ccccc1)OC ZINC001597444874 987814893 /nfs/dbraw/zinc/81/48/93/987814893.db2.gz CZAKNCKCONYMCS-GZTJUZNOSA-N -1 0 325.364 3.573 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC001597450363 987840585 /nfs/dbraw/zinc/84/05/85/987840585.db2.gz XGTWXDUKFSOFNB-HNNXBMFYSA-N -1 0 329.783 3.879 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)CCc1c[nH]c2ccccc12 ZINC001597451460 987841367 /nfs/dbraw/zinc/84/13/67/987841367.db2.gz ATFYAKPPVVPURZ-UHFFFAOYSA-N -1 0 336.391 4.000 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N(C)Cc1cccc(OC)c1 ZINC001597453389 987855285 /nfs/dbraw/zinc/85/52/85/987855285.db2.gz PHBNKAIYQSBIBV-UHFFFAOYSA-N -1 0 342.395 3.620 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CC[C@H](C(F)(F)F)[C@@H]1C ZINC001597454068 987859362 /nfs/dbraw/zinc/85/93/62/987859362.db2.gz XZFAQFQAVLNPBE-CABZTGNLSA-N -1 0 344.333 3.752 20 0 EHADRM CC(C)(C)[C@H](NC(=O)Nc1cccc(C(=O)[O-])n1)c1ccc(F)cc1 ZINC001589716578 987860323 /nfs/dbraw/zinc/86/03/23/987860323.db2.gz QMOBQGVDVAPIAG-OAHLLOKOSA-N -1 0 345.374 3.828 20 0 EHADRM CC(C)(C)[C@H](NCc1ccc(C2(C(=O)[O-])CC2)cc1)C(F)(F)F ZINC001589716765 987861781 /nfs/dbraw/zinc/86/17/81/987861781.db2.gz HWLSGZFCEMYCLC-ZDUSSCGKSA-N -1 0 329.362 3.869 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)Cc1cccc(C(=O)[O-])c1)c1cccc(F)c1 ZINC001589717327 987866659 /nfs/dbraw/zinc/86/66/59/987866659.db2.gz YPZZPMRQCLCMPM-SFHVURJKSA-N -1 0 343.398 3.970 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1CCCc2occc21 ZINC001597457601 987875803 /nfs/dbraw/zinc/87/58/03/987875803.db2.gz MBSWGBCOZZJKCZ-OAHLLOKOSA-N -1 0 328.368 3.739 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCCc1ccc(F)cc1F ZINC001597460075 987889305 /nfs/dbraw/zinc/88/93/05/987889305.db2.gz SMMPDCARAPBSBC-UHFFFAOYSA-N -1 0 348.349 3.590 20 0 EHADRM CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001589728509 987933999 /nfs/dbraw/zinc/93/39/99/987933999.db2.gz MZVQHENITHHXEK-HRCADAONSA-N -1 0 338.492 3.639 20 0 EHADRM CCc1cc(C)cc(CC)c1NC(=O)Cc1ccccc1C(=O)[O-] ZINC001597471448 987934186 /nfs/dbraw/zinc/93/41/86/987934186.db2.gz LEWYXOWEBOCSLZ-UHFFFAOYSA-N -1 0 325.408 3.999 20 0 EHADRM CCc1cc(C)cc(CC)c1NC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001597471522 987935240 /nfs/dbraw/zinc/93/52/40/987935240.db2.gz QFTBOPRMVOIUTN-TWMKSMIVSA-N -1 0 344.455 3.741 20 0 EHADRM CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)N1CCC(CC(=O)[O-])CC1 ZINC001589729126 987941192 /nfs/dbraw/zinc/94/11/92/987941192.db2.gz SWGJPYYAOMGOKV-HZPDHXFCSA-N -1 0 338.492 3.735 20 0 EHADRM CC(C)(C)[C@H]1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CCO1 ZINC001589731362 987946728 /nfs/dbraw/zinc/94/67/28/987946728.db2.gz BRYQMWDJPNTWRN-HUUCEWRRSA-N -1 0 325.836 3.603 20 0 EHADRM CS[C@H](c1nc(-c2ccc(C(=O)[O-])cc2)no1)c1ccccc1 ZINC001599787645 987950743 /nfs/dbraw/zinc/95/07/43/987950743.db2.gz UOQFFYIXEBHLST-AWEZNQCLSA-N -1 0 326.377 3.887 20 0 EHADRM CC(C)(C)[C@H]1CSCCN1C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001589734954 987983409 /nfs/dbraw/zinc/98/34/09/987983409.db2.gz LZAASOBLZQGKJS-CYBMUJFWSA-N -1 0 341.860 3.642 20 0 EHADRM CC(C)(C)[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CCO1 ZINC001589735658 987988185 /nfs/dbraw/zinc/98/81/85/987988185.db2.gz XJKQGTKLDGVLTN-GXTWGEPZSA-N -1 0 346.254 3.866 20 0 EHADRM CC(C)(C)[C@H]1CN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CCO1 ZINC001589735660 987988218 /nfs/dbraw/zinc/98/82/18/987988218.db2.gz XJKQGTKLDGVLTN-OCCSQVGLSA-N -1 0 346.254 3.866 20 0 EHADRM CC(C)(C)[C@@H]1CN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CCO1 ZINC001589735659 987988453 /nfs/dbraw/zinc/98/84/53/987988453.db2.gz XJKQGTKLDGVLTN-JSGCOSHPSA-N -1 0 346.254 3.866 20 0 EHADRM CC(C)(C)[C@@H]1Cc2ccccc2N(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001589738336 988002370 /nfs/dbraw/zinc/00/23/70/988002370.db2.gz LTVNDIOLJMTNBZ-ARFHVFGLSA-N -1 0 329.440 3.739 20 0 EHADRM CSCC(C)(C)NC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001599790953 988007046 /nfs/dbraw/zinc/00/70/46/988007046.db2.gz QPAGOEPLQUHBKE-UHFFFAOYSA-N -1 0 332.425 3.801 20 0 EHADRM CCc1ccc(-c2noc(CSc3ncccc3C(=O)[O-])n2)cc1 ZINC001597491951 988022247 /nfs/dbraw/zinc/02/22/47/988022247.db2.gz LKPBJFISNGPATL-UHFFFAOYSA-N -1 0 341.392 3.685 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC001589743200 988023844 /nfs/dbraw/zinc/02/38/44/988023844.db2.gz GWPSYZYBCVMKAV-BZSNNMDCSA-N -1 0 339.435 3.949 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)[C@@H]1CCC[C@H]1Cc1ccccc1)C(=O)[O-] ZINC001589743414 988026628 /nfs/dbraw/zinc/02/66/28/988026628.db2.gz NGAPCGJSRTXKBV-BBWFWOEESA-N -1 0 331.456 3.651 20 0 EHADRM CCc1ccc(-c2nc(S[C@H](C(=O)[O-])c3ccccc3)n[nH]2)cc1 ZINC001597492350 988026971 /nfs/dbraw/zinc/02/69/71/988026971.db2.gz SXJIREVAQXMVPV-HNNXBMFYSA-N -1 0 339.420 3.952 20 0 EHADRM CSCC1CCC(NC(=O)c2cc(C(=O)[O-])ccc2Cl)CC1 ZINC001599792174 988029127 /nfs/dbraw/zinc/02/91/27/988029127.db2.gz IYPKNZZCBILAGY-UHFFFAOYSA-N -1 0 341.860 3.690 20 0 EHADRM CCc1ccc(Br)cc1C(=O)Nc1ccccc1C(=O)[O-] ZINC001597494685 988037145 /nfs/dbraw/zinc/03/71/45/988037145.db2.gz GJCNMYROWXPLLP-UHFFFAOYSA-N -1 0 348.196 3.962 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC001589745807 988042610 /nfs/dbraw/zinc/04/26/10/988042610.db2.gz SWHFEPRPVVQITM-LZWOXQAQSA-N -1 0 335.419 3.920 20 0 EHADRM CCc1ccc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1CC ZINC001597498390 988046022 /nfs/dbraw/zinc/04/60/22/988046022.db2.gz AWGLKKUIDCPFAR-KRWDZBQOSA-N -1 0 331.456 3.774 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)c1csc(C2CCCCC2)n1)C(=O)[O-] ZINC001589751710 988055103 /nfs/dbraw/zinc/05/51/03/988055103.db2.gz IIBFZYDSLCQGNG-LBPRGKRZSA-N -1 0 338.473 3.810 20 0 EHADRM CC(C)(C)C[C@@H]1CCCN1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001589764519 988102431 /nfs/dbraw/zinc/10/24/31/988102431.db2.gz MLHQGYIGXQAGLE-AWEZNQCLSA-N -1 0 334.416 3.583 20 0 EHADRM CCc1ccc(CCC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)cc1 ZINC001597523088 988158101 /nfs/dbraw/zinc/15/81/01/988158101.db2.gz HUXFEZXYGONPFA-UHFFFAOYSA-N -1 0 336.391 4.000 20 0 EHADRM CCc1ccc(CN[C@H](C(=O)[O-])c2ccc(OC)c(Cl)c2)s1 ZINC001597530107 988180198 /nfs/dbraw/zinc/18/01/98/988180198.db2.gz GZUIJZKSUWIGKE-HNNXBMFYSA-N -1 0 339.844 3.888 20 0 EHADRM CC(C)(C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001589796074 988194076 /nfs/dbraw/zinc/19/40/76/988194076.db2.gz MWPDZEMWRQISNB-UHFFFAOYSA-N -1 0 343.398 3.894 20 0 EHADRM CCc1ccc(N(CC2CC2)C(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC001597534429 988199324 /nfs/dbraw/zinc/19/93/24/988199324.db2.gz XRKPXYUZBWEWKG-UHFFFAOYSA-N -1 0 337.419 3.933 20 0 EHADRM CSCc1ccc(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])cc1 ZINC001599802506 988200113 /nfs/dbraw/zinc/20/01/13/988200113.db2.gz ODUUKLXTDOMOIH-UHFFFAOYSA-N -1 0 337.485 3.759 20 0 EHADRM CSCc1ccc(NC(=O)NCc2ccc(C(=O)[O-])cc2F)cc1 ZINC001599802897 988206950 /nfs/dbraw/zinc/20/69/50/988206950.db2.gz YOSJZIGILPTLFI-UHFFFAOYSA-N -1 0 348.399 3.709 20 0 EHADRM CCc1ccc(NC(=O)[C@@H](C)c2ccc(F)c(F)c2)c(C(=O)[O-])c1 ZINC001597542416 988229253 /nfs/dbraw/zinc/22/92/53/988229253.db2.gz ASJKENUQTQLTPH-JTQLQIEISA-N -1 0 333.334 3.968 20 0 EHADRM CSc1c(F)cc(NCc2ccc(/C=C\C(=O)[O-])o2)cc1F ZINC001599806106 988258430 /nfs/dbraw/zinc/25/84/30/988258430.db2.gz LTCDFPUSAUUCAE-PLNGDYQASA-N -1 0 325.336 3.990 20 0 EHADRM CSc1c(F)cccc1C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001599806220 988260198 /nfs/dbraw/zinc/26/01/98/988260198.db2.gz QLCIZLMRMSRVPD-UHFFFAOYSA-N -1 0 333.384 3.518 20 0 EHADRM CSc1cc(C)ccc1NCc1c(C)nn(CCC(=O)[O-])c1C ZINC001599807154 988273527 /nfs/dbraw/zinc/27/35/27/988273527.db2.gz KKJCDGNJEWTVGH-UHFFFAOYSA-N -1 0 333.457 3.617 20 0 EHADRM CSc1cc(C)ccc1NC(=O)N[C@H](CC(=O)[O-])C1CCCC1 ZINC001599807583 988280628 /nfs/dbraw/zinc/28/06/28/988280628.db2.gz OXLANGQSSRTPCQ-CQSZACIVSA-N -1 0 336.457 3.872 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001599808034 988287995 /nfs/dbraw/zinc/28/79/95/988287995.db2.gz WAHZEKOVXITNIR-VFZGTOFNSA-N -1 0 342.848 3.636 20 0 EHADRM CSc1cc(CNc2ncc(C(=O)[O-])cc2C(F)(F)F)ccn1 ZINC001599808078 988288009 /nfs/dbraw/zinc/28/80/09/988288009.db2.gz XUYBABQPQPGMAE-UHFFFAOYSA-N -1 0 343.330 3.528 20 0 EHADRM CSc1cc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)ccc1Cl ZINC001599809150 988304145 /nfs/dbraw/zinc/30/41/45/988304145.db2.gz VJNJWENTMCALSO-VHSXEESVSA-N -1 0 327.833 3.891 20 0 EHADRM CSc1ccc(C(=O)N2CCCc3ccc(C)c(C(=O)[O-])c32)o1 ZINC001599809600 988310456 /nfs/dbraw/zinc/31/04/56/988310456.db2.gz KMBDRFLAIRQVND-UHFFFAOYSA-N -1 0 331.393 3.601 20 0 EHADRM CCc1ccc2ccccc2c1CNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001597569129 988331387 /nfs/dbraw/zinc/33/13/87/988331387.db2.gz QKVBQECOEUKIDO-ZWKOTPCHSA-N -1 0 339.435 3.909 20 0 EHADRM CCc1ccc2c(CSc3ncccc3C(=O)[O-])cc(=O)oc2c1 ZINC001597569536 988335957 /nfs/dbraw/zinc/33/59/57/988335957.db2.gz SVHUJNWWXDZBMM-UHFFFAOYSA-N -1 0 341.388 3.741 20 0 EHADRM CCc1ccc2occ(C(=O)N[C@H](C(=O)[O-])c3ccsc3)c2c1 ZINC001597570265 988341905 /nfs/dbraw/zinc/34/19/05/988341905.db2.gz CKZXVLCGHWUSCY-HNNXBMFYSA-N -1 0 329.377 3.612 20 0 EHADRM CCc1ccc2occ(C(=O)N[C@@H](CC(=O)[O-])C3CCCC3)c2c1 ZINC001597570510 988344995 /nfs/dbraw/zinc/34/49/95/988344995.db2.gz MGQQIPBURAZXRQ-INIZCTEOSA-N -1 0 329.396 3.759 20 0 EHADRM CSc1ccc(C)c(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])c1 ZINC001599812337 988358629 /nfs/dbraw/zinc/35/86/29/988358629.db2.gz UHRVRGSLQQPNLV-UHFFFAOYSA-N -1 0 337.485 3.926 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)CCC(=O)c1ccc(C)s1 ZINC001597573911 988359050 /nfs/dbraw/zinc/35/90/50/988359050.db2.gz WOFALWSNHBBJKH-UHFFFAOYSA-N -1 0 345.420 3.919 20 0 EHADRM CSc1ccc(/C=C2/C(=O)Nc3cc(F)c(C(=O)[O-])cc32)cc1 ZINC001599812580 988363314 /nfs/dbraw/zinc/36/33/14/988363314.db2.gz NOZRESJYDSUPCF-WUXMJOGZSA-N -1 0 329.352 3.739 20 0 EHADRM CCc1cccc(C)c1NC(=O)NCc1ccc(C(=O)[O-])c(OC)c1 ZINC001597579452 988380709 /nfs/dbraw/zinc/38/07/09/988380709.db2.gz YPFDCPOFQUHQBJ-UHFFFAOYSA-N -1 0 342.395 3.586 20 0 EHADRM CCc1cccc(CC(=O)N(CCCC(=O)[O-])Cc2ccccc2)c1 ZINC001597581125 988386135 /nfs/dbraw/zinc/38/61/35/988386135.db2.gz OLNZIIRUUFDMGP-UHFFFAOYSA-N -1 0 339.435 3.685 20 0 EHADRM CCc1cccc(CC(=O)N(CC(=O)[O-])[C@H](CC)c2ccccc2)c1 ZINC001597581376 988388766 /nfs/dbraw/zinc/38/87/66/988388766.db2.gz XVTWRFZTTJRWHT-LJQANCHMSA-N -1 0 339.435 3.856 20 0 EHADRM CSc1ccc(NC(=O)[C@@H]2Cc3ccccc3S2)cc1C(=O)[O-] ZINC001599815508 988416699 /nfs/dbraw/zinc/41/66/99/988416699.db2.gz CGZUGZWGSPKIGV-HNNXBMFYSA-N -1 0 345.445 3.762 20 0 EHADRM CSc1ccc(NC(=O)/C=C\c2ccccc2F)cc1C(=O)[O-] ZINC001599815668 988419400 /nfs/dbraw/zinc/41/94/00/988419400.db2.gz FKGCMNPQNITTTL-TWGQIWQCSA-N -1 0 331.368 3.898 20 0 EHADRM CCc1cccc(NC(=O)Nc2nc3c(s2)CC[C@@H](C(=O)[O-])C3)c1 ZINC001597595233 988438548 /nfs/dbraw/zinc/43/85/48/988438548.db2.gz KEVHQGKLZSSKTR-LLVKDONJSA-N -1 0 345.424 3.539 20 0 EHADRM CSc1ccc(NC(=O)c2ccc(Cl)nc2C)cc1C(=O)[O-] ZINC001599816812 988440358 /nfs/dbraw/zinc/44/03/58/988440358.db2.gz CMHXOIPFRKHKQB-UHFFFAOYSA-N -1 0 336.800 3.716 20 0 EHADRM CSc1ccc(NC(=O)c2cccc3cnccc32)cc1C(=O)[O-] ZINC001599816948 988443295 /nfs/dbraw/zinc/44/32/95/988443295.db2.gz GIKGRLXTENGXLR-UHFFFAOYSA-N -1 0 338.388 3.907 20 0 EHADRM CSc1ccc(NC(=O)c2ccc3oc(C)nc3c2)cc1C(=O)[O-] ZINC001599817302 988448122 /nfs/dbraw/zinc/44/81/22/988448122.db2.gz JKIWRKGWRCBSAB-UHFFFAOYSA-N -1 0 342.376 3.809 20 0 EHADRM CSc1ccc(O)c(C(=O)Nc2ccc3c(c2)[nH]cc3C(=O)[O-])c1 ZINC001599819965 988495264 /nfs/dbraw/zinc/49/52/64/988495264.db2.gz KYBNIBALEZBGHS-UHFFFAOYSA-N -1 0 342.376 3.546 20 0 EHADRM CSc1ccc(NCc2ccccc2NC(C)=O)cc1C(=O)[O-] ZINC001599820652 988507740 /nfs/dbraw/zinc/50/77/40/988507740.db2.gz HBLGQHRVZOCLBG-UHFFFAOYSA-N -1 0 330.409 3.677 20 0 EHADRM CCc1ccccc1Cc1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC001597611488 988510909 /nfs/dbraw/zinc/51/09/09/988510909.db2.gz OMOCWDCWMHIHHN-UHFFFAOYSA-N -1 0 338.363 3.500 20 0 EHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC001597621321 988546983 /nfs/dbraw/zinc/54/69/83/988546983.db2.gz JTJJBTFNMJLECO-IPMKNSEASA-N -1 0 343.467 3.750 20 0 EHADRM CCc1ccnc(C(=O)Nc2c3ccc(C)nc3sc2C(=O)[O-])c1 ZINC001597622716 988563500 /nfs/dbraw/zinc/56/35/00/988563500.db2.gz AECGXOYADRZREA-UHFFFAOYSA-N -1 0 341.392 3.513 20 0 EHADRM CSc1ccccc1NC(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC001599825169 988585947 /nfs/dbraw/zinc/58/59/47/988585947.db2.gz KFTZWYKUXNNCNU-NSHDSACASA-N -1 0 336.438 3.808 20 0 EHADRM CCc1cnc(CSCc2ccc(C(=O)[O-])c3cccnc23)o1 ZINC001597630803 988593106 /nfs/dbraw/zinc/59/31/06/988593106.db2.gz CEIOFZZKRRVVRC-UHFFFAOYSA-N -1 0 328.393 3.917 20 0 EHADRM CCc1cncc(C(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)c1 ZINC001597632378 988603459 /nfs/dbraw/zinc/60/34/59/988603459.db2.gz UKICUPJGGAMEFU-KRWDZBQOSA-N -1 0 332.444 3.578 20 0 EHADRM CSc1ccccc1[C@H](C)NC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001599826596 988607419 /nfs/dbraw/zinc/60/74/19/988607419.db2.gz VLTZICMWRRAPQB-AEZGRPFRSA-N -1 0 331.393 3.590 20 0 EHADRM CSc1ccccc1[C@@H](C)OC(=O)Cc1ccccc1C(=O)[O-] ZINC001599826590 988607428 /nfs/dbraw/zinc/60/74/28/988607428.db2.gz UUZHMBAVBIKKRV-GFCCVEGCSA-N -1 0 330.405 3.954 20 0 EHADRM CCc1[nH]nc(NC(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)c1C ZINC001597644684 988655851 /nfs/dbraw/zinc/65/58/51/988655851.db2.gz RVBOXIZDMIKVIV-UHFFFAOYSA-N -1 0 338.367 3.776 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)CCSc1ccccc1 ZINC001599831932 988688394 /nfs/dbraw/zinc/68/83/94/988688394.db2.gz XMFXBCPECOAHSN-HNNXBMFYSA-N -1 0 343.448 3.671 20 0 EHADRM C[C@@H](C1CCCCC1)N(C)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001599833430 988707176 /nfs/dbraw/zinc/70/71/76/988707176.db2.gz JKPMAPJWUCKHRL-AWEZNQCLSA-N -1 0 332.444 3.538 20 0 EHADRM CCc1nc(CN(C)Cc2c3ccccc3[nH]c2C(=O)[O-])cs1 ZINC001597666915 988746626 /nfs/dbraw/zinc/74/66/26/988746626.db2.gz CWGBNEZIOBDDMO-UHFFFAOYSA-N -1 0 329.425 3.517 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@](C)(C(=O)[O-])C1)c1cccc2ccccc21 ZINC001599838512 988784406 /nfs/dbraw/zinc/78/44/06/988784406.db2.gz IXTSRMOABOPCNU-VLIAUNLRSA-N -1 0 340.423 3.797 20 0 EHADRM CCc1nc(NC(=O)Cc2cccc(C)c2Cl)sc1C(=O)[O-] ZINC001597680533 988808564 /nfs/dbraw/zinc/80/85/64/988808564.db2.gz PZPKFWIKFCBBFY-UHFFFAOYSA-N -1 0 338.816 3.547 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F)C(C)(C)C ZINC001599840327 988816059 /nfs/dbraw/zinc/81/60/59/988816059.db2.gz NAAKYRDBJGYCPL-SECBINFHSA-N -1 0 344.358 3.585 20 0 EHADRM C[C@@H](OC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1cccc(Cl)c1F ZINC001599846340 988939199 /nfs/dbraw/zinc/93/91/99/988939199.db2.gz JHIZPHUHFDROND-GMTAPVOTSA-N -1 0 328.767 3.974 20 0 EHADRM CCc1ncoc1C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC001597710227 988964701 /nfs/dbraw/zinc/96/47/01/988964701.db2.gz CWZBYIGPRHLEOO-UHFFFAOYSA-N -1 0 334.397 3.518 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)CC[C@@H]1CC1(Cl)Cl ZINC001597768293 989231588 /nfs/dbraw/zinc/23/15/88/989231588.db2.gz WPFJFUTYCKDUCO-SECBINFHSA-N -1 0 335.183 3.557 20 0 EHADRM C[C@@H]1CN(c2nc3ccccc3c(-c3ccccc3)n2)C[C@H]1CC(=O)[O-] ZINC001599868687 989313942 /nfs/dbraw/zinc/31/39/42/989313942.db2.gz HSURIOGESLPQPE-GDBMZVCRSA-N -1 0 347.418 3.844 20 0 EHADRM CCn1c2ccc(C)cc2nc1NC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001597859827 989631735 /nfs/dbraw/zinc/63/17/35/989631735.db2.gz FDDIAOBOFGMURB-UHFFFAOYSA-N -1 0 337.379 3.624 20 0 EHADRM CCn1c(SC/C(C)=C\C(=O)[O-])nnc1-c1cccc(Cl)c1 ZINC001597864729 989650076 /nfs/dbraw/zinc/65/00/76/989650076.db2.gz NISXKCUTQZSIDR-YFHOEESVSA-N -1 0 337.832 3.741 20 0 EHADRM CC(C)(C)OC(=O)c1ccc(CN2CCCCC[C@H]2C(=O)[O-])s1 ZINC001590364467 989830908 /nfs/dbraw/zinc/83/09/08/989830908.db2.gz MNRMNMGOPSMSRH-ZDUSSCGKSA-N -1 0 339.457 3.533 20 0 EHADRM CC(C)(C)O[C@H](C(=O)NCC1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC001590369463 989856688 /nfs/dbraw/zinc/85/66/88/989856688.db2.gz LEEVSWXTOUTOJI-INIZCTEOSA-N -1 0 347.455 3.694 20 0 EHADRM CC(C)(C)O[C@H]1C[C@@H](NC(=O)Nc2cccc(C(=O)[O-])c2)C12CCC2 ZINC001590378553 989882548 /nfs/dbraw/zinc/88/25/48/989882548.db2.gz HQMYBBFSVAKKHA-CABCVRRESA-N -1 0 346.427 3.633 20 0 EHADRM CC(C)(C)OCc1ccc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC001590396200 989921220 /nfs/dbraw/zinc/92/12/20/989921220.db2.gz OLMBFVUDUNLNET-LSDHHAIUSA-N -1 0 333.428 3.831 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])c1 ZINC001590416228 989954899 /nfs/dbraw/zinc/95/48/99/989954899.db2.gz IMCAHLQRDGRZNQ-BEFAXECRSA-N -1 0 333.428 3.627 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])c1 ZINC001590416230 989954961 /nfs/dbraw/zinc/95/49/61/989954961.db2.gz IMCAHLQRDGRZNQ-HNAYVOBHSA-N -1 0 333.428 3.627 20 0 EHADRM CC(C)(C)Oc1cccc(CNC(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC001590420097 989962893 /nfs/dbraw/zinc/96/28/93/989962893.db2.gz MXSKOXPLRSDPTQ-UHFFFAOYSA-N -1 0 345.370 3.631 20 0 EHADRM CC[C@@H](NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)c1ccc(C)cc1 ZINC000326867135 1015523364 /nfs/dbraw/zinc/52/33/64/1015523364.db2.gz XKIIEHYZKMZOAH-NQIIRXRSSA-N -1 0 339.435 3.995 20 0 EHADRM CCn1ncc(Cl)c1C(=O)Oc1cc2ccccc2cc1C(=O)[O-] ZINC001597958013 989974972 /nfs/dbraw/zinc/97/49/72/989974972.db2.gz IOCODEOKOLOXRC-UHFFFAOYSA-N -1 0 344.754 3.627 20 0 EHADRM CC(C)(C)c1c[nH]c(Sc2cc(C(F)(F)F)c(C(=O)[O-])cn2)n1 ZINC001590451834 990015538 /nfs/dbraw/zinc/01/55/38/990015538.db2.gz TWNAXQFHALRPCC-UHFFFAOYSA-N -1 0 345.346 3.970 20 0 EHADRM CC(C)(C)c1cc(N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)nc(C(C)(C)C)n1 ZINC001590463793 990039892 /nfs/dbraw/zinc/03/98/92/990039892.db2.gz RDSFQNRDXRMBES-VLIAUNLRSA-N -1 0 345.487 3.905 20 0 EHADRM CC(C)(C)c1ccc(C(C)(C)CNc2ncc(C(=O)[O-])cn2)cc1 ZINC001590481683 990074936 /nfs/dbraw/zinc/07/49/36/990074936.db2.gz OKPWAFNEQFDDDI-UHFFFAOYSA-N -1 0 327.428 3.862 20 0 EHADRM CN(C(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1)C1CCCCCCC1 ZINC001597991165 990090462 /nfs/dbraw/zinc/09/04/62/990090462.db2.gz CKOCUVXKJATWPA-FXAWDEMLSA-N -1 0 329.440 3.816 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)Cc2cccc(C(=O)[O-])c2)c(O)c1 ZINC001590493051 990093833 /nfs/dbraw/zinc/09/38/33/990093833.db2.gz ISBKZGNDEVKCDX-UHFFFAOYSA-N -1 0 327.380 3.569 20 0 EHADRM CC(C)(C)c1cnc(CN(CCC(=O)[O-])Cc2ccccc2)s1 ZINC001590516014 990133717 /nfs/dbraw/zinc/13/37/17/990133717.db2.gz VZHVUUNJGRVGJO-UHFFFAOYSA-N -1 0 332.469 3.918 20 0 EHADRM CC(C)(C)c1nc(COC(=O)c2cc(C(=O)[O-])ccc2Cl)co1 ZINC001590541711 990166177 /nfs/dbraw/zinc/16/61/77/990166177.db2.gz GPVUEPZELFNDCU-UHFFFAOYSA-N -1 0 337.759 3.681 20 0 EHADRM CN(C(=O)Cc1cc(Cl)cc(Cl)c1)c1ccccc1C(=O)[O-] ZINC001598034126 990257359 /nfs/dbraw/zinc/25/73/59/990257359.db2.gz DBNVEVYTOFITIH-UHFFFAOYSA-N -1 0 338.190 3.897 20 0 EHADRM CC(C)(CC(=O)NCCC(C)(C)C(=O)[O-])Cc1ccc(Cl)cc1 ZINC001590621103 990299902 /nfs/dbraw/zinc/29/99/02/990299902.db2.gz TTYZYIRCOPBJNM-UHFFFAOYSA-N -1 0 339.863 3.916 20 0 EHADRM CC(C)(CC(=O)Nc1ccc(F)c(C(=O)[O-])c1F)CC(F)(F)F ZINC001590621760 990303176 /nfs/dbraw/zinc/30/31/76/990303176.db2.gz LKSFBMUECQLMRE-UHFFFAOYSA-N -1 0 339.260 3.970 20 0 EHADRM CN(C(=O)Nc1cc(C(=O)[O-])n(C)c1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001598056704 990318229 /nfs/dbraw/zinc/31/82/29/990318229.db2.gz STMRLMYETXVTBH-CVEARBPZSA-N -1 0 341.411 3.523 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1n[nH]c(C2CC2)c1-c1ccccc1 ZINC001590636751 990324957 /nfs/dbraw/zinc/32/49/57/990324957.db2.gz GZVWBZFJTDUDOV-UHFFFAOYSA-N -1 0 341.411 3.784 20 0 EHADRM CN(C(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1cccc2cc[nH]c21 ZINC001598059988 990327431 /nfs/dbraw/zinc/32/74/31/990327431.db2.gz GWEREBIPGXAHDB-UHFFFAOYSA-N -1 0 327.315 3.674 20 0 EHADRM CN(C(=O)Nc1cccc(OCC(=O)[O-])c1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC001598061857 990335672 /nfs/dbraw/zinc/33/56/72/990335672.db2.gz OMGWXECSMMJALW-HZPDHXFCSA-N -1 0 348.443 3.829 20 0 EHADRM CN(C(=O)c1cc(C(F)F)ccc1F)[C@H](C(=O)[O-])c1ccccc1 ZINC001598077327 990382698 /nfs/dbraw/zinc/38/26/98/990382698.db2.gz ISQAPCLDRUQGNA-AWEZNQCLSA-N -1 0 337.297 3.661 20 0 EHADRM CN(C(=O)c1cc2ccnc(Cl)c2s1)c1ccccc1C(=O)[O-] ZINC001598081830 990397143 /nfs/dbraw/zinc/39/71/43/990397143.db2.gz BYHBIMZMTPERJL-UHFFFAOYSA-N -1 0 346.795 3.925 20 0 EHADRM CN(C(=O)c1ccc(C(F)(F)F)cc1Cl)C1(C(=O)[O-])CCCC1 ZINC001598083345 990409798 /nfs/dbraw/zinc/40/97/98/990409798.db2.gz VIZAWNJQMABCIX-UHFFFAOYSA-N -1 0 349.736 3.828 20 0 EHADRM CC(C)(CNC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1)C1CCCCC1 ZINC001590706068 990448966 /nfs/dbraw/zinc/44/89/66/990448966.db2.gz GJKJSFXGPOOJSB-UWJYYQICSA-N -1 0 343.467 3.968 20 0 EHADRM CN(C(=O)c1sccc1C(F)F)[C@H](C(=O)[O-])c1ccccc1 ZINC001598103217 990469697 /nfs/dbraw/zinc/46/96/97/990469697.db2.gz BSLWXPKCEZAVKB-NSHDSACASA-N -1 0 325.336 3.584 20 0 EHADRM CC(C)(CNC(=O)N1CCC(C)(C)[C@@H](c2ccccc2)C1)CC(=O)[O-] ZINC001590716146 990474882 /nfs/dbraw/zinc/47/48/82/990474882.db2.gz OBVPWJHTYGMKOX-MRXNPFEDSA-N -1 0 346.471 3.713 20 0 EHADRM CC(C)(NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)c1cccs1 ZINC001590855509 990740248 /nfs/dbraw/zinc/74/02/48/990740248.db2.gz BVIGJPZPQUSSJM-UONOGXRCSA-N -1 0 344.436 3.993 20 0 EHADRM CC(C)(NC(=O)c1cccc(C(=O)[O-])n1)c1ccc2ccccc2c1 ZINC001590864176 990756554 /nfs/dbraw/zinc/75/65/54/990756554.db2.gz RVGVTSQCDAOJMT-UHFFFAOYSA-N -1 0 334.375 3.598 20 0 EHADRM CC(C)(c1noc(-c2ccc(C(=O)[O-])[nH]2)n1)c1ccccc1Cl ZINC001590909156 990879179 /nfs/dbraw/zinc/87/91/79/990879179.db2.gz SWUMAXXFPASPKH-UHFFFAOYSA-N -1 0 331.759 3.742 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)N(CCC(=O)[O-])Cc2ccccc2)C1(C)C ZINC001590914546 990898652 /nfs/dbraw/zinc/89/86/52/990898652.db2.gz JEBMQIBFYYSAPF-SJLPKXTDSA-N -1 0 329.440 3.728 20 0 EHADRM CC(C)=CCC[C@@H](C)CC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001590921756 990913683 /nfs/dbraw/zinc/91/36/83/990913683.db2.gz JZZJHMYSGXWSIX-OXQOHEQNSA-N -1 0 331.456 3.918 20 0 EHADRM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2cc(C(=O)[O-])sc2C)c1 ZINC001599684836 990971418 /nfs/dbraw/zinc/97/14/18/990971418.db2.gz NUXJBTDLESVBRA-QWHCGFSZSA-N -1 0 331.393 3.506 20 0 EHADRM COc1cccc2c1[C@@H](C(=O)Nc1cccc(Cl)c1C(=O)[O-])CC2 ZINC001599689507 991044456 /nfs/dbraw/zinc/04/44/56/991044456.db2.gz HWEZECXPGBAJHC-NSHDSACASA-N -1 0 345.782 3.715 20 0 EHADRM CC(C)[C@H](C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1)c1ccccc1 ZINC001590958262 991047871 /nfs/dbraw/zinc/04/78/71/991047871.db2.gz VCDIXNOEYUDDPX-MSOLQXFVSA-N -1 0 331.456 3.824 20 0 EHADRM COc1cccc2cc(CN[C@H](C(=O)[O-])c3ccccc3C)oc21 ZINC001599692065 991086135 /nfs/dbraw/zinc/08/61/35/991086135.db2.gz IVTZQLAVQKXMEK-KRWDZBQOSA-N -1 0 325.364 3.665 20 0 EHADRM CC(C)[C@@H](CCc1ccccc1)C(=O)Nc1cccc(C(=O)[O-])c1N ZINC001590981251 991139406 /nfs/dbraw/zinc/13/94/06/991139406.db2.gz RMZZGZIGOFOWTE-OAHLLOKOSA-N -1 0 340.423 3.811 20 0 EHADRM CC(C)[C@@H](CNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])Cc1ccccc1 ZINC001590988648 991186564 /nfs/dbraw/zinc/18/65/64/991186564.db2.gz NWAFCIRLARBQIN-FGTMMUONSA-N -1 0 331.456 3.509 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)NCC1CCCCCCC1 ZINC001598297954 991228484 /nfs/dbraw/zinc/22/84/84/991228484.db2.gz CTJGGXVMEUYEOT-UHFFFAOYSA-N -1 0 347.459 3.933 20 0 EHADRM CC(C)[C@@H](NC(=O)[C@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)[O-] ZINC001590998009 991251212 /nfs/dbraw/zinc/25/12/12/991251212.db2.gz XVNUUTNLSRQJFF-IAGOWNOFSA-N -1 0 345.826 3.697 20 0 EHADRM CC(C)[C@H](NC(=O)/C=C\c1cc(C(=O)[O-])co1)c1ccc(F)cc1 ZINC001591001767 991260256 /nfs/dbraw/zinc/26/02/56/991260256.db2.gz YEJKXBIZYGOHKF-QWPQOLDESA-N -1 0 331.343 3.644 20 0 EHADRM COc1ccccc1C1(CNc2cccc(C(=O)[O-])n2)CCCC1 ZINC001599704328 991269621 /nfs/dbraw/zinc/26/96/21/991269621.db2.gz QUGHNUPJXCPALC-UHFFFAOYSA-N -1 0 326.396 3.712 20 0 EHADRM CN(C)c1ccc(OC(=O)C2CC3(C2)CCCCC3)cc1C(=O)[O-] ZINC001598328828 991356292 /nfs/dbraw/zinc/35/62/92/991356292.db2.gz CYPBRKBWSGNYDX-UHFFFAOYSA-N -1 0 331.412 3.717 20 0 EHADRM COc1ccccc1CN(Cc1ccc(/C=C/C(=O)[O-])o1)C1CC1 ZINC001599711442 991377591 /nfs/dbraw/zinc/37/75/91/991377591.db2.gz YKEXOZPMIDTEBK-ZHACJKMWSA-N -1 0 327.380 3.551 20 0 EHADRM CC(C)[C@H](OC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001591046694 991435265 /nfs/dbraw/zinc/43/52/65/991435265.db2.gz DEXGAYCDWSBAKN-AGIUHOORSA-N -1 0 330.302 3.666 20 0 EHADRM COc1ccccc1[C@H](C)OC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001599719697 991516081 /nfs/dbraw/zinc/51/60/81/991516081.db2.gz YQPLUGXVTAAEFT-JTQLQIEISA-N -1 0 334.755 3.965 20 0 EHADRM CN(CC(=O)C12CC3CC(CC(C3)C1)C2)[C@H](C(=O)[O-])c1ccccc1 ZINC001598376643 991567873 /nfs/dbraw/zinc/56/78/73/991567873.db2.gz ZMNHNYJCABDQDE-IXYLRAAXSA-N -1 0 341.451 3.530 20 0 EHADRM CC(C)C1CCC(CNC(=O)Nc2cccc(OCC(=O)[O-])c2)CC1 ZINC001591080491 991584441 /nfs/dbraw/zinc/58/44/41/991584441.db2.gz SFKHMFXYHYNDCR-UHFFFAOYSA-N -1 0 348.443 3.734 20 0 EHADRM CC(C)[C@H]1CCC[C@@H](NC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)C1 ZINC001591082236 991596974 /nfs/dbraw/zinc/59/69/74/991596974.db2.gz RHBZUDLYYFPUQM-KBXCAEBGSA-N -1 0 344.455 3.667 20 0 EHADRM CC(C)[C@@H]1CCc2ccccc2N1C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001591094022 991667074 /nfs/dbraw/zinc/66/70/74/991667074.db2.gz FFXCVDHKTFTPSO-CKDIWJPDSA-N -1 0 339.391 3.995 20 0 EHADRM CC(C)[C@@H]1N(c2cc(C(F)(F)F)c(C(=O)[O-])cn2)CC12CC=CC2 ZINC001591100361 991723558 /nfs/dbraw/zinc/72/35/58/991723558.db2.gz WQCUHXAFWRULLA-AWEZNQCLSA-N -1 0 340.345 3.980 20 0 EHADRM CC(C)C[C@H](C(=O)N[C@](C)(CCF)C(=O)[O-])c1ccc(Cl)cc1 ZINC001591117684 991777069 /nfs/dbraw/zinc/77/70/69/991777069.db2.gz DZBUYGAFCONHIX-WMLDXEAASA-N -1 0 343.826 3.789 20 0 EHADRM CC(C)C[C@@H](C)C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC001591131031 991825045 /nfs/dbraw/zinc/82/50/45/991825045.db2.gz OYRSAFKZGADMAV-BEFAXECRSA-N -1 0 341.451 3.882 20 0 EHADRM CC(C)CC(CC(C)C)NC(=O)NCCc1ccccc1C(=O)[O-] ZINC001591143927 991874138 /nfs/dbraw/zinc/87/41/38/991874138.db2.gz XCKJXDAKUACJMN-UHFFFAOYSA-N -1 0 334.460 3.687 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1ccc2c(c1)C=CCCC2)C(=O)[O-] ZINC001591150761 991894320 /nfs/dbraw/zinc/89/43/20/991894320.db2.gz OXDOOHLSZUSISW-INIZCTEOSA-N -1 0 330.428 3.905 20 0 EHADRM CC(C)C[C@H](NC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)c1ccccc1 ZINC001591178163 991975644 /nfs/dbraw/zinc/97/56/44/991975644.db2.gz NZWRWZDFWQHVGA-ZWOKBUDYSA-N -1 0 344.455 3.670 20 0 EHADRM CC(C)C[C@H](NC(=O)NC[C@@H](CC(=O)[O-])C1CC1)c1ccccc1 ZINC001591178870 991978065 /nfs/dbraw/zinc/97/80/65/991978065.db2.gz WJBLRRMGTDPHKU-SJORKVTESA-N -1 0 332.444 3.574 20 0 EHADRM CN(C[C@@H]1CCc2ccccc21)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001598468762 991991141 /nfs/dbraw/zinc/99/11/41/991991141.db2.gz ZXEOSFASWOZPDJ-AWEZNQCLSA-N -1 0 342.370 3.718 20 0 EHADRM CC(C)C[C@H](OC(=O)[C@@H](C)CC(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC001591188195 991993393 /nfs/dbraw/zinc/99/33/93/991993393.db2.gz LQHZCRYICPVGEY-NHYWBVRUSA-N -1 0 340.803 3.591 20 0 EHADRM CC(C)C[C@H]1CCCN(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)C1 ZINC001591207121 992038593 /nfs/dbraw/zinc/03/85/93/992038593.db2.gz DXJGHCZWAKXWGH-CYBMUJFWSA-N -1 0 336.407 3.743 20 0 EHADRM CC(C)CCOc1ccccc1NC(=O)N[C@](C)(CC(=O)[O-])C1CC1 ZINC001591266051 992176177 /nfs/dbraw/zinc/17/61/77/992176177.db2.gz MNAWQMVRVBRGPC-LJQANCHMSA-N -1 0 348.443 3.876 20 0 EHADRM CC(C)CCc1ccc(NC(=O)c2ccc(/C=C\C(=O)[O-])o2)nc1 ZINC001591266793 992182555 /nfs/dbraw/zinc/18/25/55/992182555.db2.gz SEUBGCSTFBXOKZ-YFHOEESVSA-N -1 0 328.368 3.613 20 0 EHADRM CC(C)CCc1ccccc1NC(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001591269848 992186747 /nfs/dbraw/zinc/18/67/47/992186747.db2.gz JXPPYBSXXKVDHX-KONPQCLYSA-N -1 0 344.455 3.896 20 0 EHADRM CC(C)CCc1nc(COc2ccc(C(=O)[O-])cc2C=O)cs1 ZINC001591270625 992190853 /nfs/dbraw/zinc/19/08/53/992190853.db2.gz XTDHYJLCSBXOQB-UHFFFAOYSA-N -1 0 333.409 3.821 20 0 EHADRM CC(C)CN(C(C)C)S(=O)(=O)c1ccc(C(=O)[O-])c2ccccc21 ZINC001591284934 992221216 /nfs/dbraw/zinc/22/12/16/992221216.db2.gz HUWSNWIIXRWGRB-UHFFFAOYSA-N -1 0 349.452 3.593 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)CCOc1ccc(C(C)C)cc1 ZINC001591323787 992297490 /nfs/dbraw/zinc/29/74/90/992297490.db2.gz VDYOJRIVKWCTHQ-UHFFFAOYSA-N -1 0 335.444 3.538 20 0 EHADRM CC(C)CN1C(=O)c2ccccc2NC12CCC(CC(=O)[O-])CC2 ZINC001591352673 992346023 /nfs/dbraw/zinc/34/60/23/992346023.db2.gz WTBMEGXIWYMQIJ-UHFFFAOYSA-N -1 0 330.428 3.572 20 0 EHADRM CS[C@H](C(=O)NC[C@H](C(=O)[O-])C1CCCCCC1)c1ccccc1 ZINC001599781637 992371832 /nfs/dbraw/zinc/37/18/32/992371832.db2.gz SOVNYEKGOATGNP-IRXDYDNUSA-N -1 0 349.496 3.878 20 0 EHADRM CC(C)COc1ccc([C@@H](C)OC(=O)CCSCC(=O)[O-])cc1 ZINC001591401220 992472233 /nfs/dbraw/zinc/47/22/33/992472233.db2.gz GFJYTIYPVSAYLR-CYBMUJFWSA-N -1 0 340.441 3.534 20 0 EHADRM CC(C)COc1cccc(NC(=O)c2ccccc2CCC(=O)[O-])c1 ZINC001591402322 992483153 /nfs/dbraw/zinc/48/31/53/992483153.db2.gz XOPNHHVNEQLNPO-UHFFFAOYSA-N -1 0 341.407 3.991 20 0 EHADRM CC(C)C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001591444443 992540334 /nfs/dbraw/zinc/54/03/34/992540334.db2.gz CHMXBZRBJCVPOL-GHMZBOCLSA-N -1 0 327.327 3.607 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001598510391 992562444 /nfs/dbraw/zinc/56/24/44/992562444.db2.gz QLKPPIIZCNHGNN-RBUKOAKNSA-N -1 0 337.419 3.927 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cc(C(F)F)ccc1F ZINC001598511886 992573637 /nfs/dbraw/zinc/57/36/37/992573637.db2.gz AYASUCPQJIAPAY-UHFFFAOYSA-N -1 0 337.297 3.734 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)Nc1ccc(C(C)(C)C)nc1 ZINC001598512701 992580267 /nfs/dbraw/zinc/58/02/67/992580267.db2.gz ROQKYSDYMFPSBB-UHFFFAOYSA-N -1 0 341.411 3.741 20 0 EHADRM CC(C)Cc1c[nH]c(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)c1 ZINC001591476026 992592331 /nfs/dbraw/zinc/59/23/31/992592331.db2.gz PPDGVNLIEOTZPK-INIZCTEOSA-N -1 0 328.412 3.549 20 0 EHADRM CC(C)Cc1ccc(NC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)cc1 ZINC001591483195 992601103 /nfs/dbraw/zinc/60/11/03/992601103.db2.gz BRXRFRZANXAVNL-KXBFYZLASA-N -1 0 330.428 3.604 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cn1)C(=O)CC1CCC(C(C)(C)C)CC1 ZINC001598514459 992604263 /nfs/dbraw/zinc/60/42/63/992604263.db2.gz KJCHQFPLGMQBJW-UHFFFAOYSA-N -1 0 346.471 3.981 20 0 EHADRM CC(C)Cc1ccccc1C(=O)NCCc1ccccc1C(=O)[O-] ZINC001591489274 992619757 /nfs/dbraw/zinc/61/97/57/992619757.db2.gz PKCMNJXRZPEGEQ-UHFFFAOYSA-N -1 0 325.408 3.556 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)N[C@](C)(CC(=O)[O-])C2CC2)cc1 ZINC001591489818 992621349 /nfs/dbraw/zinc/62/13/49/992621349.db2.gz YQJRHVRVSLUVBX-VBKZILBWSA-N -1 0 331.456 3.748 20 0 EHADRM CC(C)Cc1nc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cs1 ZINC001591490936 992626422 /nfs/dbraw/zinc/62/64/22/992626422.db2.gz OGWSGXWSJUTTCL-MLGOLLRUSA-N -1 0 346.452 3.533 20 0 EHADRM CC(C)Cn1c(C2CCCCC2)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001591508082 992661211 /nfs/dbraw/zinc/66/12/11/992661211.db2.gz MOMLHFGUIVHXJW-GOEBONIOSA-N -1 0 348.491 3.529 20 0 EHADRM CN(Cc1ccc(OCC(=O)[O-])cc1)Cc1cccc(Cl)c1F ZINC001598523683 992691436 /nfs/dbraw/zinc/69/14/36/992691436.db2.gz CSOUNULGRWKENR-UHFFFAOYSA-N -1 0 337.778 3.575 20 0 EHADRM CC(C)N(C(=O)/C=C\c1ccc(C(=O)[O-])o1)[C@@H](C)c1ccccc1 ZINC001591539087 992719132 /nfs/dbraw/zinc/71/91/32/992719132.db2.gz UQSPCLOJUBXOFJ-HCYCVZQXSA-N -1 0 327.380 3.989 20 0 EHADRM CC(C)N(C(=O)c1cccc(CC(=O)[O-])c1)[C@@H](C)c1ccsc1 ZINC001591542070 992721603 /nfs/dbraw/zinc/72/16/03/992721603.db2.gz CRDGVPZGJKAOBB-ZDUSSCGKSA-N -1 0 331.437 3.987 20 0 EHADRM CC(C)N(Cc1cccc(F)c1)C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001591600740 992833062 /nfs/dbraw/zinc/83/30/62/992833062.db2.gz UJSIGDGBLOYOBT-SREVYHEPSA-N -1 0 331.343 3.567 20 0 EHADRM Cn1nc(C(C)(C)C)cc1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000154694683 1015770714 /nfs/dbraw/zinc/77/07/14/1015770714.db2.gz PSVLOVINUZCDFP-UHFFFAOYSA-N -1 0 342.226 3.982 20 0 EHADRM C[C@@H](NC(=O)NCC1(CC(=O)[O-])CCCC1)[C@@H]1CC2CCC1CC2 ZINC001593087854 993696495 /nfs/dbraw/zinc/69/64/95/993696495.db2.gz APGHNNGZWIOMPA-LMPOIIKSSA-N -1 0 336.476 3.536 20 0 EHADRM COc1ccc(NC(=O)N[C@H](CC(=O)[O-])c2ccc(C)cc2)c(C)c1 ZINC001599592523 993703725 /nfs/dbraw/zinc/70/37/25/993703725.db2.gz BPMVTMVKRKCXCV-QGZVFWFLSA-N -1 0 342.395 3.650 20 0 EHADRM COc1ccc(NC(=O)c2cccc(C(F)F)c2F)c(C(=O)[O-])c1 ZINC001599595578 993745568 /nfs/dbraw/zinc/74/55/68/993745568.db2.gz DFDNLXYUVWOZEJ-UHFFFAOYSA-N -1 0 339.269 3.722 20 0 EHADRM CCc1cccc2c1N(C(=O)c1cccc(Br)c1[O-])CC2 ZINC000536686673 1032128721 /nfs/dbraw/zinc/12/87/21/1032128721.db2.gz LNGOOKYWIXVWLI-UHFFFAOYSA-N -1 0 346.224 3.920 20 0 EHADRM C[C@@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C1(c2ccccc2)CCCC1 ZINC001593139160 993914612 /nfs/dbraw/zinc/91/46/12/993914612.db2.gz UAQRMPBFTPKORL-BPQIPLTHSA-N -1 0 343.467 3.894 20 0 EHADRM C[C@@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])c1cccc2ccccc21 ZINC001593139420 993916713 /nfs/dbraw/zinc/91/67/13/993916713.db2.gz YXGWIXHTHSJGDY-JEBQAFNWSA-N -1 0 325.408 3.908 20 0 EHADRM COc1ccc(SCC(=O)Nc2ccc(F)c(C(=O)[O-])c2C)cc1 ZINC001599618660 994051070 /nfs/dbraw/zinc/05/10/70/994051070.db2.gz XJYBPVYHAHLZSD-UHFFFAOYSA-N -1 0 349.383 3.572 20 0 EHADRM COc1ccc([C@@H](C)Nc2nc(Cl)c(C(=O)[O-])s2)c(OC)c1 ZINC001599619902 994065910 /nfs/dbraw/zinc/06/59/10/994065910.db2.gz CSRQZQVLMWVCJH-SSDOTTSWSA-N -1 0 342.804 3.685 20 0 EHADRM C[C@H](NC(=O)c1cncc(C(=O)[O-])c1)c1cccc(Cl)c1Cl ZINC001593185416 994097609 /nfs/dbraw/zinc/09/76/09/994097609.db2.gz XLMQBXOLZBOWCU-QMMMGPOBSA-N -1 0 339.178 3.578 20 0 EHADRM COc1ccc2c(CSc3ccc(C(=O)[O-])cc3)cc(=O)oc2c1 ZINC001599624886 994134801 /nfs/dbraw/zinc/13/48/01/994134801.db2.gz CDHLLZCZCNNUDM-UHFFFAOYSA-N -1 0 342.372 3.792 20 0 EHADRM COc1ccc2c(c1)[C@@H](C(=O)Nc1cc(C)c(C(=O)[O-])s1)CCC2 ZINC001599625632 994143995 /nfs/dbraw/zinc/14/39/95/994143995.db2.gz OLEDADXIDRSOFI-ZDUSSCGKSA-N -1 0 345.420 3.822 20 0 EHADRM C[C@@H](N[C@@H](C(=O)[O-])c1ccccc1F)c1nc(C2CCCCC2)no1 ZINC001593196092 994152042 /nfs/dbraw/zinc/15/20/42/994152042.db2.gz UGSGRKMAFPAAOJ-IAQYHMDHSA-N -1 0 347.390 3.733 20 0 EHADRM COc1ccc2c(c1)CC[C@@H]2C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001599627759 994173852 /nfs/dbraw/zinc/17/38/52/994173852.db2.gz RYPLZFWRZZDCIO-AWEZNQCLSA-N -1 0 345.782 3.715 20 0 EHADRM C[C@@H](N[C@@H](C)c1nc(C(=O)[O-])co1)c1nc(-c2ccccc2)cs1 ZINC001593203292 994185988 /nfs/dbraw/zinc/18/59/88/994185988.db2.gz DCCOXUZJKQKANQ-WDEREUQCSA-N -1 0 343.408 3.908 20 0 EHADRM C[C@H](N[C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1cc(C(=O)[O-])co1 ZINC001593208848 994231708 /nfs/dbraw/zinc/23/17/08/994231708.db2.gz GRIPBUDVSLAZLK-IINYFYTJSA-N -1 0 330.384 3.513 20 0 EHADRM COc1ccc2cc(-c3nc(-c4ccc(C(=O)[O-])cc4)no3)cnc2c1 ZINC001599633899 994257789 /nfs/dbraw/zinc/25/77/89/994257789.db2.gz UPKQHSCYFHNSRB-UHFFFAOYSA-N -1 0 347.330 3.659 20 0 EHADRM COc1ccc2oc(C)c(C(=O)OCc3cc(C)c(C(=O)[O-])o3)c2c1 ZINC001599637516 994310869 /nfs/dbraw/zinc/31/08/69/994310869.db2.gz LWOFASUAMDOXST-UHFFFAOYSA-N -1 0 344.319 3.706 20 0 EHADRM COc1ccc2sc(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)c(C)c2c1 ZINC001599638443 994323032 /nfs/dbraw/zinc/32/30/32/994323032.db2.gz OKEOTLSJBCAQNY-CQSZACIVSA-N -1 0 349.452 3.838 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)[C@H](C)Cc1ccccc1Cl ZINC001599643473 994390545 /nfs/dbraw/zinc/39/05/45/994390545.db2.gz AKRWDFVJHKFDGV-LLVKDONJSA-N -1 0 348.782 3.831 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC001599643631 994392945 /nfs/dbraw/zinc/39/29/45/994392945.db2.gz MHNLZXJZIQRGGC-JTQLQIEISA-N -1 0 346.404 3.799 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)CCSc1ccccc1 ZINC001599646358 994429476 /nfs/dbraw/zinc/42/94/76/994429476.db2.gz SUFKNRMBTFDTBZ-UHFFFAOYSA-N -1 0 345.420 3.539 20 0 EHADRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)CCC2CCCCC2)c1 ZINC001599653586 994542474 /nfs/dbraw/zinc/54/24/74/994542474.db2.gz YHXJIKOFBFCXKV-FQEVSTJZSA-N -1 0 347.455 3.862 20 0 EHADRM COc1cccc([C@H](C)C(=O)O[C@@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC001599654569 994557132 /nfs/dbraw/zinc/55/71/32/994557132.db2.gz RNWQCJHNJOQRAH-MEDUHNTESA-N -1 0 348.782 3.821 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)OCc2ccc(C(=O)[O-])cc2F)c1 ZINC001599655388 994570918 /nfs/dbraw/zinc/57/09/18/994570918.db2.gz PHBFUMXOHISKRP-LBPRGKRZSA-N -1 0 346.354 3.770 20 0 EHADRM COc1cccc(C2(C(=O)OCc3cc(C(=O)[O-])sc3C)CC2)c1 ZINC001599661088 994657112 /nfs/dbraw/zinc/65/71/12/994657112.db2.gz DMSVGCQZNAVYCC-UHFFFAOYSA-N -1 0 346.404 3.538 20 0 EHADRM C[C@@H](NCc1ccc(C(=O)[O-])c(F)c1)c1nc(C2CCCCC2)no1 ZINC001593291825 994672204 /nfs/dbraw/zinc/67/22/04/994672204.db2.gz CQEUWLXRLHXLFG-LLVKDONJSA-N -1 0 347.390 3.805 20 0 EHADRM COc1cccc([C@H](OC(=O)c2scc(C)c2Cl)C(=O)[O-])c1 ZINC001599662172 994672886 /nfs/dbraw/zinc/67/28/86/994672886.db2.gz WDTMPQFDOBUUTK-LBPRGKRZSA-N -1 0 340.784 3.701 20 0 EHADRM COc1cccc(C[C@H](C)CC(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC001599667018 994746520 /nfs/dbraw/zinc/74/65/20/994746520.db2.gz VZUPKKBOZNCESA-ZDUSSCGKSA-N -1 0 327.380 3.601 20 0 EHADRM C[C@@H](NCc1csc(C(=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC001593312586 994802244 /nfs/dbraw/zinc/80/22/44/994802244.db2.gz XJXDSAADCIWYIN-ZCFIWIBFSA-N -1 0 336.360 3.772 20 0 EHADRM C[C@@H](N[C@H]1CCCc2c(F)cc(F)cc21)c1ncc(C(=O)[O-])s1 ZINC001593356645 995003146 /nfs/dbraw/zinc/00/31/46/995003146.db2.gz IATHNEYJLIFMPH-OQPBUACISA-N -1 0 338.379 3.848 20 0 EHADRM C[C@@H](Nc1ncnc2cccc(F)c21)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593373455 995066970 /nfs/dbraw/zinc/06/69/70/995066970.db2.gz FFKLEDVNSZHFKY-OCCSQVGLSA-N -1 0 339.370 3.513 20 0 EHADRM COC(=O)[C@H](SCc1ccccc1C(=O)[O-])c1ccc(F)cc1 ZINC001598713262 995373046 /nfs/dbraw/zinc/37/30/46/995373046.db2.gz WAEUTFAEFQOFJP-OAHLLOKOSA-N -1 0 334.368 3.671 20 0 EHADRM C[C@H](OC(=O)C(C)(C)COCc1ccccc1)c1cc(C(=O)[O-])co1 ZINC001593483935 995438285 /nfs/dbraw/zinc/43/82/85/995438285.db2.gz BTMSAQIXQRWNND-ZDUSSCGKSA-N -1 0 346.379 3.825 20 0 EHADRM C[C@H](OC(=O)C1(c2ccc(F)cc2)CCC1)c1cc(C(=O)[O-])co1 ZINC001593496829 995477535 /nfs/dbraw/zinc/47/75/35/995477535.db2.gz PCCUAENALIITET-NSHDSACASA-N -1 0 332.327 3.843 20 0 EHADRM C[C@@H](OC(=O)CC(C)(C)CC(=O)[O-])c1ccc(C(F)(F)F)cn1 ZINC001593514808 995534938 /nfs/dbraw/zinc/53/49/38/995534938.db2.gz KGXPKSKPSOIIDA-SECBINFHSA-N -1 0 333.306 3.596 20 0 EHADRM C[C@@H](OC(=O)CCOc1cccc(Cl)c1)c1ccc(C(=O)[O-])o1 ZINC001593524183 995561396 /nfs/dbraw/zinc/56/13/96/995561396.db2.gz DQNYPGQIZCPKNW-SNVBAGLBSA-N -1 0 338.743 3.705 20 0 EHADRM C[C@@H](OC(=O)Cc1c[nH]c2cccc(Cl)c12)c1cc(C(=O)[O-])co1 ZINC001593535755 995598629 /nfs/dbraw/zinc/59/86/29/995598629.db2.gz ZVPJXHKGGCMQRJ-SECBINFHSA-N -1 0 347.754 3.959 20 0 EHADRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])o1)[C@@H](C)c1nc2ccccc2s1 ZINC001593574734 995679322 /nfs/dbraw/zinc/67/93/22/995679322.db2.gz LBQYXKLJBVFNHJ-NXEZZACHSA-N -1 0 345.376 3.937 20 0 EHADRM C[C@@H](OC(=O)c1ncoc1-c1ccc(F)cc1)c1cc(C(=O)[O-])co1 ZINC001593601372 995757059 /nfs/dbraw/zinc/75/70/59/995757059.db2.gz NIOKBQDRRNQPBA-SECBINFHSA-N -1 0 345.282 3.690 20 0 EHADRM COC(=O)[C@@H]1C[C@@H]2C[C@H](Nc3ccc4sc(C(=O)[O-])cc4c3)[C@@H]2C1 ZINC001598761010 995776188 /nfs/dbraw/zinc/77/61/88/995776188.db2.gz SBQQFYIKYAAWLV-IMJCEVDSSA-N -1 0 345.420 3.599 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)C(=O)O[C@H](C(=O)[O-])c2ccccc2)c1 ZINC001593636520 995937351 /nfs/dbraw/zinc/93/73/51/995937351.db2.gz QDAWVHGTBNGGBQ-KSSFIOAISA-N -1 0 342.391 3.946 20 0 EHADRM C[C@H](Oc1ccccc1F)c1nnc([C@H]2CCC[C@H](C(=O)[O-])C2)o1 ZINC001593651486 996012148 /nfs/dbraw/zinc/01/21/48/996012148.db2.gz NIKVLHUZAWRQET-SRVKXCTJSA-N -1 0 334.347 3.707 20 0 EHADRM C[C@H](Oc1ccccc1F)C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001593651535 996012253 /nfs/dbraw/zinc/01/22/53/996012253.db2.gz OBEPGBFFZVORDC-VIFPVBQESA-N -1 0 338.718 3.550 20 0 EHADRM C[C@@H](S[C@H](C)c1nc(-c2ccccc2)no1)c1nc(C(=O)[O-])co1 ZINC001593658510 996032693 /nfs/dbraw/zinc/03/26/93/996032693.db2.gz ICXAAWFISXLMRS-NXEZZACHSA-N -1 0 345.380 3.978 20 0 EHADRM COC(=O)C1CCC(Nc2cccc3cc(C(=O)[O-])sc32)CC1 ZINC001598787394 996041629 /nfs/dbraw/zinc/04/16/29/996041629.db2.gz LRHFPVWFWCRYMQ-UHFFFAOYSA-N -1 0 333.409 3.743 20 0 EHADRM C[C@H](SCc1csc(C(=O)[O-])c1)C(=O)Nc1cccc(F)c1 ZINC001593663338 996044819 /nfs/dbraw/zinc/04/48/19/996044819.db2.gz LOKCWZHLOLDTAP-VIFPVBQESA-N -1 0 339.413 3.846 20 0 EHADRM C[C@H](Sc1ccc(C(=O)[O-])cc1)C(=O)N1CCc2sccc2C1 ZINC001593664226 996050078 /nfs/dbraw/zinc/05/00/78/996050078.db2.gz IZEMSGQMONSEON-NSHDSACASA-N -1 0 347.461 3.512 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)NCC(C)(C)C1CCC1)C(=O)[O-] ZINC001593668413 996063329 /nfs/dbraw/zinc/06/33/29/996063329.db2.gz BGWFUGICLUJWPZ-GFCCVEGCSA-N -1 0 335.469 3.808 20 0 EHADRM C[C@@H](c1c(F)cccc1F)N(C)C(=O)NCCCCCCC(=O)[O-] ZINC001593686406 996123265 /nfs/dbraw/zinc/12/32/65/996123265.db2.gz LFGOGDOFVWRDOQ-LBPRGKRZSA-N -1 0 342.386 3.702 20 0 EHADRM C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001593693933 996147109 /nfs/dbraw/zinc/14/71/09/996147109.db2.gz PKERDZFNVHFEQV-WCFLWFBJSA-N -1 0 343.345 3.726 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CC2(CCCC2)c2c1cccc2F ZINC000683302851 1016017167 /nfs/dbraw/zinc/01/71/67/1016017167.db2.gz XARXSQILQLIDPS-UHFFFAOYSA-N -1 0 333.403 3.875 20 0 EHADRM C[C@@H](c1nc(C(=O)[O-])co1)N1CCc2c(cccc2C(F)(F)F)C1 ZINC001593731046 996299158 /nfs/dbraw/zinc/29/91/58/996299158.db2.gz WTDSJGCNGGDWCN-VIFPVBQESA-N -1 0 340.301 3.511 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C2(Sc3ccccc3)CCCC2)C1 ZINC001593765234 996440525 /nfs/dbraw/zinc/44/05/25/996440525.db2.gz PNILZNFZXWLMQZ-GOSISDBHSA-N -1 0 347.480 3.805 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)N2CCC[C@](C)(C(=O)[O-])C2)cc1F ZINC001593771681 996466059 /nfs/dbraw/zinc/46/60/59/996466059.db2.gz WCYQDSYYYYSNGN-SFHVURJKSA-N -1 0 336.407 3.842 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(-c3cccs3)s2)C1 ZINC001593772513 996468189 /nfs/dbraw/zinc/46/81/89/996468189.db2.gz BXLUSRQGMNYLKG-MRXNPFEDSA-N -1 0 335.450 3.804 20 0 EHADRM CC1(C)C(C)(C)C1(C)C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC001593831317 996575550 /nfs/dbraw/zinc/57/55/50/996575550.db2.gz VYXZFNSHBZITSB-UHFFFAOYSA-N -1 0 347.440 3.847 20 0 EHADRM CC(C)(NC(=O)C1CC(C)(C)CC(C)(C)C1)c1cc(C(=O)[O-])on1 ZINC001593847681 996615197 /nfs/dbraw/zinc/61/51/97/996615197.db2.gz TWVVWOVVRLEULH-UHFFFAOYSA-N -1 0 336.432 3.577 20 0 EHADRM CC1(C)CC(C(=O)NCc2ccc(C(=O)[O-])cc2F)CC(C)(C)C1 ZINC001593848093 996617983 /nfs/dbraw/zinc/61/79/83/996617983.db2.gz HZMLNWPXBKAYRN-UHFFFAOYSA-N -1 0 335.419 3.993 20 0 EHADRM CC1(C)C[C@H](NC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c2ccccc21 ZINC001593857520 996645178 /nfs/dbraw/zinc/64/51/78/996645178.db2.gz VPMAXGORAZKVKP-KGVIQGDOSA-N -1 0 349.430 3.784 20 0 EHADRM CC1(C)C[C@H](c2ccccc2)CN1C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001593864523 996666704 /nfs/dbraw/zinc/66/67/04/996666704.db2.gz WKABQSUMHVGDHY-QWGSZXSUSA-N -1 0 339.391 3.786 20 0 EHADRM CC1(C)C[C@H](OC(=O)c2ccc(C(=O)[O-])cc2)c2ccccc2O1 ZINC001593864555 996667328 /nfs/dbraw/zinc/66/73/28/996667328.db2.gz XQIGVXMMKNHJBI-INIZCTEOSA-N -1 0 326.348 3.844 20 0 EHADRM CC1(C)CCC[C@](NC(=O)/C(F)=C\C2CCCCC2)(C(=O)[O-])C1 ZINC001593888002 996729477 /nfs/dbraw/zinc/72/94/77/996729477.db2.gz NSIORFVUDNBZMP-GPZRYRNASA-N -1 0 325.424 3.960 20 0 EHADRM CC1(C)CCC[C@](NC(=O)c2ccc3c(c2)CCC=C3)(C(=O)[O-])C1 ZINC001593891323 996736076 /nfs/dbraw/zinc/73/60/76/996736076.db2.gz BHRGBIAVKAXPKT-HXUWFJFHSA-N -1 0 327.424 3.799 20 0 EHADRM CC1(C)CCC[C@](NC(=O)CCc2ccc(Cl)s2)(C(=O)[O-])C1 ZINC001593891380 996736628 /nfs/dbraw/zinc/73/66/28/996736628.db2.gz JOEQNOCPWSLUBY-MRXNPFEDSA-N -1 0 343.876 3.874 20 0 EHADRM CC1(C)CCC[C@H]1C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001593896807 996755326 /nfs/dbraw/zinc/75/53/26/996755326.db2.gz BUIRYWAWUQCSMY-QWHCGFSZSA-N -1 0 343.345 3.931 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)NC[C@@H]1CCCC1(C)C)c1ccccc1 ZINC001593903417 996773270 /nfs/dbraw/zinc/77/32/70/996773270.db2.gz SREVFJLEAZNQBD-JKSUJKDBSA-N -1 0 346.471 3.964 20 0 EHADRM CC1(C)CCCC[C@@H]1CC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC001593904748 996783977 /nfs/dbraw/zinc/78/39/77/996783977.db2.gz JVYMMGSUVKSPGM-BDJLRTHQSA-N -1 0 339.382 3.813 20 0 EHADRM COc1ccc(C(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])cc1F ZINC001599486157 996852850 /nfs/dbraw/zinc/85/28/50/996852850.db2.gz VYCBCWRUQNTCFO-UHFFFAOYSA-N -1 0 337.734 3.747 20 0 EHADRM COc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCCC3)o1 ZINC001599487795 996883637 /nfs/dbraw/zinc/88/36/37/996883637.db2.gz FELDRSUDOOUQDD-UHFFFAOYSA-N -1 0 335.381 3.569 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)CCc2ccc(Cl)cc2)c1 ZINC001599491467 996946976 /nfs/dbraw/zinc/94/69/76/996946976.db2.gz XNQFWAIHRZSBGG-UHFFFAOYSA-N -1 0 334.755 3.585 20 0 EHADRM CC1(C)CN(Cc2cc(C(=O)[O-])c3n2CCCC3)[C@H]1c1ccncc1 ZINC001593942379 996964890 /nfs/dbraw/zinc/96/48/90/996964890.db2.gz HTSFSNRBSIWJDF-SFHVURJKSA-N -1 0 339.439 3.501 20 0 EHADRM COCc1cc(NC(=O)N[C@]2(C)CCCC[C@@H]2C)cc(C(=O)[O-])c1 ZINC001599286228 996983702 /nfs/dbraw/zinc/98/37/02/996983702.db2.gz OBTZZJJOMJJIDB-KPZWWZAWSA-N -1 0 334.416 3.622 20 0 EHADRM COc1cc(C)c([C@@H](C)OC(=O)c2cccc(C(=O)[O-])c2)cc1C ZINC001599390996 997036308 /nfs/dbraw/zinc/03/63/08/997036308.db2.gz UZKJKQLQDJEYDB-CYBMUJFWSA-N -1 0 328.364 3.928 20 0 EHADRM COc1ccc(C(=O)[O-])c2c1CN([C@@H](C)c1ccc(F)cc1F)CC2 ZINC001599498141 997056575 /nfs/dbraw/zinc/05/65/75/997056575.db2.gz VLPOGBPMTVRPMW-NSHDSACASA-N -1 0 347.361 3.791 20 0 EHADRM CO[C@@]1(C)C[C@H](N(C)C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)C1(C)C ZINC001599085194 997084512 /nfs/dbraw/zinc/08/45/12/997084512.db2.gz JNAXZCHEHHKLEP-KXBFYZLASA-N -1 0 348.443 3.669 20 0 EHADRM COc1ccc([C@H](CN=c2[n-]nc(C)o2)c2c[nH]c3ccccc32)cc1 ZINC000339975546 1016093797 /nfs/dbraw/zinc/09/37/97/1016093797.db2.gz KXEMLGOKXHXXJM-KRWDZBQOSA-N -1 0 348.406 3.534 20 0 EHADRM CO[C@]1(C)CCCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC001599088397 997143711 /nfs/dbraw/zinc/14/37/11/997143711.db2.gz UNNAQVLCSINFQE-DZGCQCFKSA-N -1 0 332.227 3.620 20 0 EHADRM CC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc2ccc(C)nc21 ZINC000084920043 1016095670 /nfs/dbraw/zinc/09/56/70/1016095670.db2.gz SDRVJLMUJMJSJB-UHFFFAOYSA-N -1 0 340.404 3.547 20 0 EHADRM COCc1ccccc1-c1noc(-c2cc(C(=O)[O-])ccc2Cl)n1 ZINC001599297170 997165363 /nfs/dbraw/zinc/16/53/63/997165363.db2.gz KGBAHXICOYSHHX-UHFFFAOYSA-N -1 0 344.754 3.902 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OCC(=O)CCC1CCCC1 ZINC001599398906 997179194 /nfs/dbraw/zinc/17/91/94/997179194.db2.gz MXXPJIMYZRKWAU-DHZHZOJOSA-N -1 0 332.396 3.711 20 0 EHADRM COCc1ccsc1C(=O)OCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001599298127 997182843 /nfs/dbraw/zinc/18/28/43/997182843.db2.gz YCGDSVDTJYAUIU-UHFFFAOYSA-N -1 0 340.784 3.603 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1cccc(C)c1Cl ZINC001599400807 997211231 /nfs/dbraw/zinc/21/12/31/997211231.db2.gz VIYLWKDTWYICOV-CLFYSBASSA-N -1 0 346.766 3.974 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)C1[C@@H]2CCCCCC[C@H]12 ZINC001599401681 997225179 /nfs/dbraw/zinc/22/51/79/997225179.db2.gz ZODYDYBSAWVVPF-VBIVLTFWSA-N -1 0 344.407 3.915 20 0 EHADRM COc1ccc(C(C)C)cc1CN[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001599507402 997234956 /nfs/dbraw/zinc/23/49/56/997234956.db2.gz ZKRJBYLQYYDAER-LLVKDONJSA-N -1 0 334.441 3.824 20 0 EHADRM COc1cc(CNC(=O)NCCCC2CCCCC2)ccc1C(=O)[O-] ZINC001599412335 997445053 /nfs/dbraw/zinc/44/50/53/997445053.db2.gz SAGHTFHJLSYZGI-UHFFFAOYSA-N -1 0 348.443 3.553 20 0 EHADRM CC1(CNC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CC(F)(F)C1 ZINC001594020450 997527811 /nfs/dbraw/zinc/52/78/11/997527811.db2.gz NDKCQSZUOUBHFC-UHFFFAOYSA-N -1 0 332.734 3.595 20 0 EHADRM CC1(CNC(=O)Nc2ccc(OCC(=O)[O-])cc2)CCCCCC1 ZINC001594021098 997537821 /nfs/dbraw/zinc/53/78/21/997537821.db2.gz AHMLEHAHZTWXGD-UHFFFAOYSA-N -1 0 334.416 3.632 20 0 EHADRM CON(Cc1cc(C(=O)[O-])sc1C)Cc1ccc(Cl)cc1 ZINC001599319026 997548476 /nfs/dbraw/zinc/54/84/76/997548476.db2.gz PJPOJLHJQAZCGJ-UHFFFAOYSA-N -1 0 325.817 3.972 20 0 EHADRM COc1cc(Cl)c(NC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1C ZINC001599419997 997576625 /nfs/dbraw/zinc/57/66/25/997576625.db2.gz TVOFOCMJCYIOSK-UHFFFAOYSA-N -1 0 337.734 3.747 20 0 EHADRM COc1cc(Cl)ccc1C(=O)Nc1ccc(C)c(C)c1C(=O)[O-] ZINC001599420583 997588103 /nfs/dbraw/zinc/58/81/03/997588103.db2.gz MJUQIXXWMNCAFZ-UHFFFAOYSA-N -1 0 333.771 3.916 20 0 EHADRM COc1cc(Cl)ccc1CNc1ccc(OCC(=O)[O-])cc1C ZINC001599420859 997592588 /nfs/dbraw/zinc/59/25/88/997592588.db2.gz LRRSOQXMWPMVSQ-UHFFFAOYSA-N -1 0 335.787 3.733 20 0 EHADRM C[C@]1(Cc2noc(-c3ccc(/C=C/C(=O)[O-])o3)n2)CC1(Cl)Cl ZINC001594043441 997678403 /nfs/dbraw/zinc/67/84/03/997678403.db2.gz LTRBMTJGQCKPAP-LQPUYASZSA-N -1 0 343.166 3.554 20 0 EHADRM COCCCC[C@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001599223972 997723407 /nfs/dbraw/zinc/72/34/07/997723407.db2.gz LPMQRSLLVXQFDO-SFHVURJKSA-N -1 0 341.407 3.673 20 0 EHADRM COc1cc(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc2ccccc21 ZINC001599431512 997767425 /nfs/dbraw/zinc/76/74/25/997767425.db2.gz IJCKXOWLTIVJAT-CLFYSBASSA-N -1 0 337.331 3.792 20 0 EHADRM COCCCOc1ccccc1NCc1ccc(C(=O)[O-])cc1F ZINC001599226585 997770410 /nfs/dbraw/zinc/77/04/10/997770410.db2.gz FZKXLEZOXSZKKB-UHFFFAOYSA-N -1 0 333.359 3.551 20 0 EHADRM C[C@@]1(NC(=O)c2cc(-c3ccccc3)ccn2)CCCC[C@H]1C(=O)[O-] ZINC001594055829 997790811 /nfs/dbraw/zinc/79/08/11/997790811.db2.gz JLWNDSAEQULQDX-OXJNMPFZSA-N -1 0 338.407 3.512 20 0 EHADRM COc1c(Cl)cccc1CNC(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001599333866 997796963 /nfs/dbraw/zinc/79/69/63/997796963.db2.gz AWRFAUYUSOAVPX-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM COc1c(CNCc2cc(C(=O)[O-])c(C(C)C)[nH]2)oc2ccccc21 ZINC001599333975 997798879 /nfs/dbraw/zinc/79/88/79/997798879.db2.gz SQARBBUOHZPPOO-UHFFFAOYSA-N -1 0 342.395 3.881 20 0 EHADRM COc1c(Cl)cc(NCc2cc(C(=O)[O-])n(C)c2)cc1Cl ZINC001599334436 997809715 /nfs/dbraw/zinc/80/97/15/997809715.db2.gz PXPLCKPGJSNUJA-UHFFFAOYSA-N -1 0 329.183 3.651 20 0 EHADRM COc1ccc([C@H]2CCCN2[C@@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC001599539655 997812473 /nfs/dbraw/zinc/81/24/73/997812473.db2.gz NTCRKJLIOCXVHF-SMDDNHRTSA-N -1 0 332.425 3.748 20 0 EHADRM C[C@@]1(NC(=O)Nc2ccc(C(=O)[O-])s2)CCCc2ccccc21 ZINC001594057774 997813830 /nfs/dbraw/zinc/81/38/30/997813830.db2.gz OPILWHPXFLMNIK-QGZVFWFLSA-N -1 0 330.409 3.820 20 0 EHADRM COc1cc(NC(=O)Cc2cccc(C(F)F)c2)ccc1C(=O)[O-] ZINC001599434896 997826548 /nfs/dbraw/zinc/82/65/48/997826548.db2.gz KMBUUFKHEHVEHC-UHFFFAOYSA-N -1 0 335.306 3.512 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)/C=C(\C)c1ccccc1 ZINC001599543200 997879312 /nfs/dbraw/zinc/87/93/12/997879312.db2.gz MJKWODIMGMBNRW-ZUJJVJDASA-N -1 0 338.359 3.802 20 0 EHADRM COC(=O)c1cc(NC(=O)C[C@H](C)CCC=C(C)C)cc(C(=O)[O-])c1 ZINC001598938016 997907672 /nfs/dbraw/zinc/90/76/72/997907672.db2.gz KYLOYMXGJOSSMK-CYBMUJFWSA-N -1 0 347.411 3.883 20 0 EHADRM COc1c(NC(=O)c2cc3sccc3s2)cccc1C(=O)[O-] ZINC001599343144 997955957 /nfs/dbraw/zinc/95/59/57/997955957.db2.gz RQPYOTWYXDAFTB-UHFFFAOYSA-N -1 0 333.390 3.922 20 0 EHADRM COc1c(NC[C@H]2CCCC[C@@H]2c2ccccc2)ncnc1C(=O)[O-] ZINC001599344612 997980913 /nfs/dbraw/zinc/98/09/13/997980913.db2.gz LJOGAGKYZUBVHO-HUUCEWRRSA-N -1 0 341.411 3.569 20 0 EHADRM COc1c(Nc2ccc3c(c2)C(C)(C)CC3(C)C)ncnc1C(=O)[O-] ZINC001599345236 997992902 /nfs/dbraw/zinc/99/29/02/997992902.db2.gz STTNXMUVILNLFD-UHFFFAOYSA-N -1 0 341.411 3.886 20 0 EHADRM COc1cc(OC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)ccc1C(=O)[O-] ZINC001599446218 998014252 /nfs/dbraw/zinc/01/42/52/998014252.db2.gz PRHWOLJYSZQZGP-VHSXEESVSA-N -1 0 346.301 3.668 20 0 EHADRM COc1cc(OC(=O)c2cscc2C(F)F)ccc1C(=O)[O-] ZINC001599446665 998020345 /nfs/dbraw/zinc/02/03/45/998020345.db2.gz CXPNBNPZINWVDJ-UHFFFAOYSA-N -1 0 328.292 3.612 20 0 EHADRM COc1ccc(CC[C@@H](C)Nc2cc(C)cc(C(=O)[O-])c2)cc1O ZINC001599553661 998052660 /nfs/dbraw/zinc/05/26/60/998052660.db2.gz PHKNGPQJQGCSGK-CYBMUJFWSA-N -1 0 329.396 3.841 20 0 EHADRM CO[C@H]1Cc2ccc(N[C@@H]3CCCc4ccc(C(=O)[O-])cc43)cc2C1 ZINC001599139024 998094573 /nfs/dbraw/zinc/09/45/73/998094573.db2.gz RHEAFZBCDRFIHO-AZUAARDMSA-N -1 0 337.419 3.988 20 0 EHADRM COc1cc(OC)cc([C@H](Sc2cc(F)ccc2F)C(=O)[O-])c1 ZINC001599451401 998108797 /nfs/dbraw/zinc/10/87/97/998108797.db2.gz DWDLOJYSRVKDIQ-HNNXBMFYSA-N -1 0 340.347 3.900 20 0 EHADRM COc1cc(C(=O)Nc2c(F)ccc(F)c2C(=O)[O-])ccc1Cl ZINC001599354777 998160392 /nfs/dbraw/zinc/16/03/92/998160392.db2.gz JIJMYUQMOWLDCK-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM CC1=C(C(=O)[O-])C[C@@H](COc2cc(C(F)(F)F)ccc2Cl)O1 ZINC001594105625 998162228 /nfs/dbraw/zinc/16/22/28/998162228.db2.gz FILPARAJHWXSIK-VIFPVBQESA-N -1 0 336.693 3.885 20 0 EHADRM Cc1[nH]nc(C(=O)N2CCC(c3cccc4ccccc43)CC2)c1[O-] ZINC001625845780 1016190011 /nfs/dbraw/zinc/19/00/11/1016190011.db2.gz ZYMKBTUSIYVRIO-UHFFFAOYSA-N -1 0 335.407 3.597 20 0 EHADRM CC1=C(C)C[C@@](C)(C(=O)N2C[C@H](C(=O)[O-])Cc3ccccc32)CC1 ZINC001594109152 998190738 /nfs/dbraw/zinc/19/07/38/998190738.db2.gz FRUNCSRSPYPAKJ-UZLBHIALSA-N -1 0 327.424 3.803 20 0 EHADRM CC1=C(c2ccco2)CN(C(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC001594110182 998206162 /nfs/dbraw/zinc/20/61/62/998206162.db2.gz RKZPYPJFJOWOGG-UHFFFAOYSA-N -1 0 326.352 3.689 20 0 EHADRM C[C@@H]1C(=O)CC[C@@H](C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C1(C)C ZINC001594121344 998278745 /nfs/dbraw/zinc/27/87/45/998278745.db2.gz FQSCWPMAPABJKO-DOMZBBRYSA-N -1 0 345.439 3.629 20 0 EHADRM COC(=O)c1cc2cc(N[C@@H]3CC[C@@H](CC(=O)[O-])[C@@H]3C)ccc2s1 ZINC001598958095 998281593 /nfs/dbraw/zinc/28/15/93/998281593.db2.gz VJXPGUCFNDXBFQ-COPLHBTASA-N -1 0 347.436 3.989 20 0 EHADRM COCCOc1ccc(N[C@@H](C(=O)[O-])c2ccccc2C)cc1Cl ZINC001599259520 998361584 /nfs/dbraw/zinc/36/15/84/998361584.db2.gz WIUKXWQYGOMEDR-QGZVFWFLSA-N -1 0 349.814 3.911 20 0 EHADRM COc1cc(C(=O)[O-])ccc1CCNC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001599368144 998367177 /nfs/dbraw/zinc/36/71/77/998367177.db2.gz ZERGVNWMJUDCIG-KOMQPUFPSA-N -1 0 347.455 3.515 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N1CCc2cc(Cl)ccc21 ZINC001599372440 998432538 /nfs/dbraw/zinc/43/25/38/998432538.db2.gz ITZJDNKGAYENQK-UHFFFAOYSA-N -1 0 346.770 3.641 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H](C)c1ccc(C)s1 ZINC001599372996 998440452 /nfs/dbraw/zinc/44/04/52/998440452.db2.gz UBXDVFZYQHVLDZ-JTQLQIEISA-N -1 0 334.397 3.646 20 0 EHADRM COc1ccc(-c2noc(-c3ccc(C(=O)[O-])cc3F)n2)cc1C ZINC001599471316 998455070 /nfs/dbraw/zinc/45/50/70/998455070.db2.gz DJPYKIYRFSKWKP-UHFFFAOYSA-N -1 0 328.299 3.558 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1c(C)occ1C(F)(F)F ZINC001599374600 998467725 /nfs/dbraw/zinc/46/77/25/998467725.db2.gz SKOINSPFEZEGCU-UHFFFAOYSA-N -1 0 343.257 3.566 20 0 EHADRM COc1cc(C(=O)[O-])ccc1N[C@@H](C)c1nnc(-c2cccs2)o1 ZINC001599374902 998470857 /nfs/dbraw/zinc/47/08/57/998470857.db2.gz CVBZGPMOWQAQRQ-VIFPVBQESA-N -1 0 345.380 3.678 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1cc2cccc(F)c2o1 ZINC001599374920 998471027 /nfs/dbraw/zinc/47/10/27/998471027.db2.gz YRFGFGGXLXYMRT-UHFFFAOYSA-N -1 0 329.283 3.531 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NCc1ccnc(Cl)c1Cl ZINC001599375432 998478111 /nfs/dbraw/zinc/47/81/11/998478111.db2.gz WYIAMFPTIHXLQG-UHFFFAOYSA-N -1 0 327.167 3.707 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NCc1ccc2ccc(F)c(F)c2n1 ZINC001599375434 998478193 /nfs/dbraw/zinc/47/81/93/998478193.db2.gz XANMSIFNAITKAG-UHFFFAOYSA-N -1 0 344.317 3.832 20 0 EHADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)CSCc1ccc(C(C)(C)C)cc1 ZINC001594146635 998485552 /nfs/dbraw/zinc/48/55/52/998485552.db2.gz CLXGVDYDJGEGIP-BBRMVZONSA-N -1 0 349.496 3.539 20 0 EHADRM COc1ccc(Cl)cc1C(=O)Nc1scc(C(=O)[O-])c1C ZINC001599579621 998506191 /nfs/dbraw/zinc/50/61/91/998506191.db2.gz QAKWRQNYBONONF-UHFFFAOYSA-N -1 0 325.773 3.669 20 0 EHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1Nc1ccc(N2CCSCC2)cc1 ZINC001594183902 998711705 /nfs/dbraw/zinc/71/17/05/998711705.db2.gz BVWNKVAQOLVDBM-CPUCHLNUSA-N -1 0 334.485 3.541 20 0 EHADRM C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1Nc1ccc(N2CCSCC2)cc1 ZINC001594183904 998711753 /nfs/dbraw/zinc/71/17/53/998711753.db2.gz BVWNKVAQOLVDBM-KEYYUXOJSA-N -1 0 334.485 3.541 20 0 EHADRM C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1Nc1ccc(F)cc1OCC(F)F ZINC001594185351 998718760 /nfs/dbraw/zinc/71/87/60/998718760.db2.gz OTGIZDHNXFTBET-SCVCMEIPSA-N -1 0 331.334 3.771 20 0 EHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1Nc1ccc(-n2cccn2)c(Cl)c1 ZINC001594185708 998719703 /nfs/dbraw/zinc/71/97/03/998719703.db2.gz RGVSFBGLPUMAJK-JMSVASOKSA-N -1 0 333.819 3.827 20 0 EHADRM COC(=O)c1ccc2c(c1)CCCCN2Cc1csc(C(=O)[O-])c1 ZINC001598990295 998730862 /nfs/dbraw/zinc/73/08/62/998730862.db2.gz USKAMWUQZRYNKN-UHFFFAOYSA-N -1 0 345.420 3.576 20 0 EHADRM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001594188483 998731712 /nfs/dbraw/zinc/73/17/12/998731712.db2.gz SQUMXVAUUHXQHK-SJLPKXTDSA-N -1 0 343.467 3.891 20 0 EHADRM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001594188482 998731717 /nfs/dbraw/zinc/73/17/17/998731717.db2.gz SQUMXVAUUHXQHK-FUHWJXTLSA-N -1 0 343.467 3.891 20 0 EHADRM COC(=O)c1cccc([C@@H](Sc2cc(F)ccc2F)C(=O)[O-])c1 ZINC001598993290 998756798 /nfs/dbraw/zinc/75/67/98/998756798.db2.gz UOGDIBURACQZOM-CQSZACIVSA-N -1 0 338.331 3.669 20 0 EHADRM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001594197418 998764144 /nfs/dbraw/zinc/76/41/44/998764144.db2.gz SDBCGGOCVMNTGS-SWLSCSKDSA-N -1 0 344.436 3.534 20 0 EHADRM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1C(=O)Cc1c(Cl)cccc1Cl ZINC001594205226 998786952 /nfs/dbraw/zinc/78/69/52/998786952.db2.gz AHRALVPJWSFHMH-UWVGGRQHSA-N -1 0 344.238 3.636 20 0 EHADRM Cc1ccc2cccc([N-]S(=O)(=O)c3cc(F)ccc3C)c2n1 ZINC000340092537 1016262866 /nfs/dbraw/zinc/26/28/66/1016262866.db2.gz RHEJZYVGOIBCCM-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM COc1c(Cl)cccc1[N-]S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000584338428 1032145207 /nfs/dbraw/zinc/14/52/07/1032145207.db2.gz OSZIDYQPYDYAON-SWLSCSKDSA-N -1 0 337.828 3.646 20 0 EHADRM C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C[C@@H](c2ccccc2)C1 ZINC001594254000 998977704 /nfs/dbraw/zinc/97/77/04/998977704.db2.gz VEXKEJGPWLKUCI-HXFGRODQSA-N -1 0 343.467 3.966 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)/C=C/c2cc(C(=O)[O-])co2)C1 ZINC001594269196 999040567 /nfs/dbraw/zinc/04/05/67/999040567.db2.gz GSNYVIAYYRPTAA-CIGRPSKPSA-N -1 0 325.364 3.601 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001594269599 999041853 /nfs/dbraw/zinc/04/18/53/999041853.db2.gz KYBIWPQEYCFGCC-IPYPFGDCSA-N -1 0 339.395 3.578 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2cc(F)cc(C(=O)[O-])c2)C1 ZINC001594270455 999044793 /nfs/dbraw/zinc/04/47/93/999044793.db2.gz UUVFVTARPXDMIR-PIGZYNQJSA-N -1 0 345.345 3.886 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CCC(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)o1 ZINC001594280457 999089391 /nfs/dbraw/zinc/08/93/91/999089391.db2.gz XWXMZVPPKLSWMH-KBRIMQKVSA-N -1 0 347.455 3.733 20 0 EHADRM CO[C@](C)(CNC(=O)Nc1cccc2cc(C(=O)[O-])sc21)C1CC1 ZINC001599037285 999091855 /nfs/dbraw/zinc/09/18/55/999091855.db2.gz VYBFDPDYESOLSJ-QGZVFWFLSA-N -1 0 348.424 3.536 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2ccc(C(=O)[O-])n2C)C[C@H]1C ZINC001594291252 999122096 /nfs/dbraw/zinc/12/20/96/999122096.db2.gz FMRUTINKRXFVNL-PNBKFKSVSA-N -1 0 346.471 3.849 20 0 EHADRM C[C@@H]1CC=C(C(=O)N[C@@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])CC1 ZINC001594291886 999125714 /nfs/dbraw/zinc/12/57/14/999125714.db2.gz HPDUUUZHKIITCJ-BJZITVGISA-N -1 0 341.451 3.812 20 0 EHADRM C[C@@H]1CC[C@](C)(/C=C/C(=O)NC(C)(C)c2cc(C(=O)[O-])on2)C1(C)C ZINC001594295578 999137719 /nfs/dbraw/zinc/13/77/19/999137719.db2.gz DDTODLPBVFGYGH-RVDNPBGGSA-N -1 0 348.443 3.743 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)C2(C)CCC(C)CC2)cc1F)C(=O)[O-] ZINC001594296854 999144046 /nfs/dbraw/zinc/14/40/46/999144046.db2.gz XOYPLWQHGZMHKC-LASWEOPPSA-N -1 0 337.391 3.833 20 0 EHADRM C[C@H]1CCC(C)(C)N1C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001594296961 999144569 /nfs/dbraw/zinc/14/45/69/999144569.db2.gz YZPYFNKQQOLPPR-DZGCQCFKSA-N -1 0 332.444 3.811 20 0 EHADRM C[C@H]1CCC(C)(C)N1C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001594296987 999144864 /nfs/dbraw/zinc/14/48/64/999144864.db2.gz ZKVAOLNALBKKKL-NSHDSACASA-N -1 0 327.384 3.728 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)Nc2ccc(Br)cc2C(=O)[O-])C1 ZINC001594297181 999146166 /nfs/dbraw/zinc/14/61/66/999146166.db2.gz SRJITWAJXFJMMV-BDAKNGLRSA-N -1 0 326.190 3.522 20 0 EHADRM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001594297682 999148410 /nfs/dbraw/zinc/14/84/10/999148410.db2.gz ASLLQZWROXSSBE-NWDGAFQWSA-N -1 0 335.366 3.601 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COc1cccc(C(=O)[O-])c1 ZINC001594297906 999149483 /nfs/dbraw/zinc/14/94/83/999149483.db2.gz BYTGFZUHUKXFLI-COXVUDFISA-N -1 0 334.412 3.768 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)[C@@H](C)C1 ZINC001594312333 999198620 /nfs/dbraw/zinc/19/86/20/999198620.db2.gz AAFWTKKCZHZKJD-ZETOZRRWSA-N -1 0 329.400 3.812 20 0 EHADRM C[C@@H]1CC[C@](NC(=O)C[C@H]2C=CCCC2)(C(=O)[O-])c2ccccc21 ZINC001594314116 999213680 /nfs/dbraw/zinc/21/36/80/999213680.db2.gz ONCUMFYEMAVZCQ-QEEYODRMSA-N -1 0 327.424 3.726 20 0 EHADRM C[C@H]1CC[C@](NC(=O)c2ccc3c(c2)CCC3)(C(=O)[O-])c2ccccc21 ZINC001594321427 999235798 /nfs/dbraw/zinc/23/57/98/999235798.db2.gz DFKCRSIQIPMROC-RCDICMHDSA-N -1 0 349.430 3.783 20 0 EHADRM CC(C)[C@@]1(C)C[C@@H]1C(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21 ZINC001594323745 999247564 /nfs/dbraw/zinc/24/75/64/999247564.db2.gz UNLLKBMJINPWBN-SFNSOECISA-N -1 0 329.440 3.662 20 0 EHADRM CC(C)[C@]1(C)C[C@H]1C(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21 ZINC001594323747 999247712 /nfs/dbraw/zinc/24/77/12/999247712.db2.gz UNLLKBMJINPWBN-UNGRWJMUSA-N -1 0 329.440 3.662 20 0 EHADRM C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)Cc2ccccc2C(=O)[O-])C1 ZINC001594330477 999270707 /nfs/dbraw/zinc/27/07/07/999270707.db2.gz RCDFZWGNJITOSU-DNVCBOLYSA-N -1 0 337.419 3.927 20 0 EHADRM C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)NCCCC(=O)[O-])c2)C1 ZINC001594356176 999344466 /nfs/dbraw/zinc/34/44/66/999344466.db2.gz SPOKKKVGLRBNDJ-RHSMWYFYSA-N -1 0 348.443 3.768 20 0 EHADRM C[C@H](NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-])[C@@H]1CCC[C@@H](C)C1 ZINC001594356315 999345310 /nfs/dbraw/zinc/34/53/10/999345310.db2.gz UOSWJWVVSZAZPB-HZSPNIEDSA-N -1 0 342.439 3.740 20 0 EHADRM C[C@@H]1CCC[C@@H]1CC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001594356655 999347833 /nfs/dbraw/zinc/34/78/33/999347833.db2.gz CRRVBRBILPXUAY-ZXYWRSMDSA-N -1 0 325.408 3.908 20 0 EHADRM C[C@@H]1CCC[C@@H]1CC(=O)N1CCCC[C@@H]1c1ccc(C(=O)[O-])n1C ZINC001594357080 999349934 /nfs/dbraw/zinc/34/99/34/999349934.db2.gz ITUZOVJSVCNXHC-IIAWOOMASA-N -1 0 332.444 3.603 20 0 EHADRM C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001594366486 999385048 /nfs/dbraw/zinc/38/50/48/999385048.db2.gz QHTUWTFSLSSXPY-PELKAZGASA-N -1 0 328.771 3.878 20 0 EHADRM C[C@H]1CCCc2ccccc2[C@H]1NC(=O)N1CCC(CC(=O)[O-])CC1 ZINC001594388812 999472085 /nfs/dbraw/zinc/47/20/85/999472085.db2.gz NSUYNAKFIMPBQJ-LIRRHRJNSA-N -1 0 344.455 3.596 20 0 EHADRM C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001594389397 999475538 /nfs/dbraw/zinc/47/55/38/999475538.db2.gz XPNSBMKIFHHODA-PBYMTVQHSA-N -1 0 344.455 3.643 20 0 EHADRM C[C@H]1CCN(C(=O)C2CCC(c3ccccc3)CC2)[C@H](C(=O)[O-])C1 ZINC001594395586 999489837 /nfs/dbraw/zinc/48/98/37/999489837.db2.gz BFDPYMZVYZRSHT-KUQKPQIMSA-N -1 0 329.440 3.672 20 0 EHADRM C[C@@H]1CCN(C(=O)/C=C\c2cc(C(=O)[O-])co2)CC12CCCCC2 ZINC001594396063 999492199 /nfs/dbraw/zinc/49/21/99/999492199.db2.gz HSUHUMQQNGGFFA-GEXIGZQTSA-N -1 0 331.412 3.810 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)CC1(C)C ZINC001594403041 999511439 /nfs/dbraw/zinc/51/14/39/999511439.db2.gz PBAYLXCRCIKPNG-GFCCVEGCSA-N -1 0 341.411 3.833 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2)[C@@H](c2ccco2)C1 ZINC001594404051 999513529 /nfs/dbraw/zinc/51/35/29/999513529.db2.gz XTVJUWKIAVGCEO-IUODEOHRSA-N -1 0 328.368 3.983 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CC1(C)C ZINC001594404515 999514252 /nfs/dbraw/zinc/51/42/52/999514252.db2.gz AJWPMGJUGYVKFN-VBNZEHGJSA-N -1 0 330.428 3.775 20 0 EHADRM CC(C)c1cc(C(=O)N2CC[C@H](C)C[C@H]2C(=O)[O-])c(O)c(C(C)C)c1 ZINC001594406649 999523399 /nfs/dbraw/zinc/52/33/99/999523399.db2.gz BKNMFGXTXFWSSU-GUYCJALGSA-N -1 0 347.455 3.964 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)[C@H](C(=O)[O-])C1 ZINC001594410054 999530249 /nfs/dbraw/zinc/53/02/49/999530249.db2.gz JVRBRTYMJNRCCL-FZMZJTMJSA-N -1 0 347.411 3.880 20 0 EHADRM CC1CCN(c2ccc(C(=O)Nc3cccc(C(=O)[O-])c3)cc2)CC1 ZINC001594434529 999613294 /nfs/dbraw/zinc/61/32/94/999613294.db2.gz SXLLUDPMJGEGCR-UHFFFAOYSA-N -1 0 338.407 3.873 20 0 EHADRM C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001594448710 999645044 /nfs/dbraw/zinc/64/50/44/999645044.db2.gz VZPWWSOPIHHBRQ-BBATYDOGSA-N -1 0 349.390 3.566 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655579954 1016452258 /nfs/dbraw/zinc/45/22/58/1016452258.db2.gz CFSJHXGHOWMOET-BSWAZPDLSA-N -1 0 331.456 3.507 20 0 EHADRM CC(C)(C)OCc1ccc([N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000084461101 1016503157 /nfs/dbraw/zinc/50/31/57/1016503157.db2.gz NRXVJGDFXQBZKN-UHFFFAOYSA-N -1 0 337.416 3.942 20 0 EHADRM Cc1cccc(C)c1[C@@H]1CCCN1C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000659411623 1016667635 /nfs/dbraw/zinc/66/76/35/1016667635.db2.gz OBVLRKAFJXXINF-CVEARBPZSA-N -1 0 332.444 3.507 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cc(C)n([C@@H](C)C3CC3)n2)s1 ZINC000544099520 1016694613 /nfs/dbraw/zinc/69/46/13/1016694613.db2.gz OVYUWYKZLBDZSY-NSHDSACASA-N -1 0 339.486 3.587 20 0 EHADRM CCCCC[C@H](C(=O)[N-]S(=O)(=O)Cc1cccc(F)c1)C(C)C ZINC000785245534 1016770429 /nfs/dbraw/zinc/77/04/29/1016770429.db2.gz JIGLNVWVTJQCEL-INIZCTEOSA-N -1 0 343.464 3.624 20 0 EHADRM Cc1cc(NC(=O)c2ccc([O-])c(Cl)c2)nn1-c1cccc(F)c1 ZINC000180962839 1016913397 /nfs/dbraw/zinc/91/33/97/1016913397.db2.gz DKAYRZRPWDEWQR-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM COC(=O)c1cccc2nc(Nc3ccc(C(=O)[O-])c(C)c3)sc21 ZINC001211647641 1016916120 /nfs/dbraw/zinc/91/61/20/1016916120.db2.gz AJWRLUVYRHGGGL-UHFFFAOYSA-N -1 0 342.376 3.833 20 0 EHADRM O=C(Nc1ccc2[nH]c(C3CCC3)nc2c1)c1ccc(O)cc1F ZINC000181196860 1016916156 /nfs/dbraw/zinc/91/61/56/1016916156.db2.gz LYVVASWLIQWUME-UHFFFAOYSA-N -1 0 325.343 3.927 20 0 EHADRM Cc1cncc(C(=O)Nc2cc(Cl)cc(Br)c2[O-])c1 ZINC000340334857 1016958777 /nfs/dbraw/zinc/95/87/77/1016958777.db2.gz OYTSCGLSLBYELS-UHFFFAOYSA-N -1 0 341.592 3.764 20 0 EHADRM O=C([O-])c1cc(/C=C/c2csnn2)nc(-c2ccc(Cl)cc2)n1 ZINC000376670639 1016966913 /nfs/dbraw/zinc/96/69/13/1016966913.db2.gz GSVVIJTYRRWLOZ-AATRIKPKSA-N -1 0 344.783 3.517 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655585487 1016976462 /nfs/dbraw/zinc/97/64/62/1016976462.db2.gz YDAKJVOTKPXXLB-BVUBDWEXSA-N -1 0 349.496 3.809 20 0 EHADRM COc1ncc(Nc2ccc(C(=O)[O-])c(C)c2)cc1Br ZINC001211648294 1016978203 /nfs/dbraw/zinc/97/82/03/1016978203.db2.gz ZSHFDIRUTNKCQU-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2ccc([C@@H](C)CC(=O)[O-])cc2)cc1C ZINC000181774141 1016985054 /nfs/dbraw/zinc/98/50/54/1016985054.db2.gz MLMNTDDBAKGOFP-AWEZNQCLSA-N -1 0 347.436 3.682 20 0 EHADRM Cc1cc(C)c(-c2noc(-c3ccc(Br)cc3[O-])n2)cn1 ZINC000397426771 1016985557 /nfs/dbraw/zinc/98/55/57/1016985557.db2.gz YKHAPYOYULUTHA-UHFFFAOYSA-N -1 0 346.184 3.884 20 0 EHADRM CCN(C(=O)c1cc(-c2ccc(F)cc2)c(C)s1)[C@H](C)C(=O)[O-] ZINC000659771388 1016993306 /nfs/dbraw/zinc/99/33/06/1016993306.db2.gz UYIWPMCYILOXIN-SNVBAGLBSA-N -1 0 335.400 3.798 20 0 EHADRM C[C@H](NC(=O)C1(c2cccc(Cl)c2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655586516 1017010234 /nfs/dbraw/zinc/01/02/34/1017010234.db2.gz UWMBFVYEEMRQAF-TUKIKUTGSA-N -1 0 349.858 3.623 20 0 EHADRM c1ccc([C@H]2CCC[C@@H]2N=c2[n-]nc(C3CCOCC3)s2)cc1 ZINC000549122373 1017053331 /nfs/dbraw/zinc/05/33/31/1017053331.db2.gz IBGXMMNOAZIIIP-CVEARBPZSA-N -1 0 329.469 3.602 20 0 EHADRM Cc1ccc([C@H]2CCCCN2C(=O)NCCCCCC(=O)[O-])cc1 ZINC000414618715 1017067507 /nfs/dbraw/zinc/06/75/07/1017067507.db2.gz ZILYEADVQDBEOL-QGZVFWFLSA-N -1 0 332.444 3.877 20 0 EHADRM Cc1nc(C2CCCCC2)sc1C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000538191195 1032209200 /nfs/dbraw/zinc/20/92/00/1032209200.db2.gz MLGVGDPMNTVLAS-UHFFFAOYSA-N -1 0 342.468 3.841 20 0 EHADRM N=c1[n-]nc(-c2ccc(OC/C=C/c3ccc(Cl)cc3)cc2)o1 ZINC000461067024 1032235474 /nfs/dbraw/zinc/23/54/74/1032235474.db2.gz KNIWOOKCPRAXLF-OWOJBTEDSA-N -1 0 327.771 3.895 20 0 EHADRM N=c1[n-]nc(-c2ccc(OCCCOc3cccc(Cl)c3)cc2)o1 ZINC000461093605 1032261157 /nfs/dbraw/zinc/26/11/57/1032261157.db2.gz SBGWKBMMCPMGJW-UHFFFAOYSA-N -1 0 345.786 3.650 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)Nc1cccc(C2CCOCC2)c1)C(=O)[O-] ZINC000905052989 1032326386 /nfs/dbraw/zinc/32/63/86/1032326386.db2.gz ATAGGOFBYYRMJG-GUYCJALGSA-N -1 0 348.443 3.592 20 0 EHADRM O=C([O-])c1cc(/C=C\c2ccc(Cl)c(Br)c2)ncn1 ZINC000538415379 1032342438 /nfs/dbraw/zinc/34/24/38/1032342438.db2.gz ONKLQJYMIWTDEA-IWQZZHSRSA-N -1 0 339.576 3.761 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)N[C@@H]1CCc2cccc3cccc1c32 ZINC000905126447 1032355865 /nfs/dbraw/zinc/35/58/65/1032355865.db2.gz PLIFWKLNUHCTMD-BFQNTYOBSA-N -1 0 343.448 3.538 20 0 EHADRM Cc1ccc(C)c(C(=O)NCCC2(c3ccccc3)CC2)c1C(=O)[O-] ZINC000905125893 1032356618 /nfs/dbraw/zinc/35/66/18/1032356618.db2.gz BBIHVTVJTGQABJ-UHFFFAOYSA-N -1 0 337.419 3.853 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)N[C@H](c1ccccn1)C1CC1)C1CCCCC1 ZINC000905131017 1032358091 /nfs/dbraw/zinc/35/80/91/1032358091.db2.gz MDUAERJAIXPTTG-ICSRJNTNSA-N -1 0 344.455 3.710 20 0 EHADRM Cc1csc(Nc2cccc(NC(=O)[C@H]3CCC[C@H]3C(=O)[O-])c2)n1 ZINC000905132026 1032358195 /nfs/dbraw/zinc/35/81/95/1032358195.db2.gz WMXXPCIHLATWLA-UONOGXRCSA-N -1 0 345.424 3.635 20 0 EHADRM O=S(=O)(N[C@@H](c1ccccn1)C1CCC1)c1cc2ccccc2o1 ZINC000528499342 1032359841 /nfs/dbraw/zinc/35/98/41/1032359841.db2.gz JKIHVVKLLSBSOK-GOSISDBHSA-N -1 0 342.420 3.648 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)C[C@H]2CCCC[C@H]2C)c1 ZINC000538474167 1032394610 /nfs/dbraw/zinc/39/46/10/1032394610.db2.gz VILADCDPQCMBDP-CPUCHLNUSA-N -1 0 333.428 3.544 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)C[C@H]2CCCC[C@@H]2C)c1 ZINC000538474169 1032395889 /nfs/dbraw/zinc/39/58/89/1032395889.db2.gz VILADCDPQCMBDP-VBQJREDUSA-N -1 0 333.428 3.544 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Cc1ccc2ccccc2c1)C1CCCCC1 ZINC000538505405 1032404223 /nfs/dbraw/zinc/40/42/23/1032404223.db2.gz UFOSCHDRWQBCOO-IBGZPJMESA-N -1 0 339.435 3.922 20 0 EHADRM CCC1(C(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)CCC1 ZINC000263057343 1032422807 /nfs/dbraw/zinc/42/28/07/1032422807.db2.gz QJOODCODRBEJPD-UHFFFAOYSA-N -1 0 329.440 3.746 20 0 EHADRM O=S(=O)([N-]c1cc(F)c(F)c(F)c1)c1cnc2ccsc2c1 ZINC000084460968 1032430451 /nfs/dbraw/zinc/43/04/51/1032430451.db2.gz GQBXDKYXQJSTKI-UHFFFAOYSA-N -1 0 344.339 3.514 20 0 EHADRM Cc1c(NS(=O)(=O)c2cccc3ccccc32)cccc1C(=O)[O-] ZINC000084460880 1032430601 /nfs/dbraw/zinc/43/06/01/1032430601.db2.gz BMCOOAPNNHGRBO-UHFFFAOYSA-N -1 0 341.388 3.647 20 0 EHADRM Cc1oc([N-]S(=O)(=O)c2cccc(C)c2Cl)nc1C1CC1 ZINC000562705757 1017088069 /nfs/dbraw/zinc/08/80/69/1017088069.db2.gz ZCAQHIJVCCWGSX-UHFFFAOYSA-N -1 0 326.805 3.623 20 0 EHADRM C[C@H](NC(=O)C1(C(=O)[O-])CC1)c1ccccc1Oc1ccccc1 ZINC000118956888 1032477662 /nfs/dbraw/zinc/47/76/62/1032477662.db2.gz MTQRFLACKWKQRJ-ZDUSSCGKSA-N -1 0 325.364 3.521 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])c1 ZINC000579911954 1017098018 /nfs/dbraw/zinc/09/80/18/1017098018.db2.gz LYPHMYNMBDQVLU-GUYCJALGSA-N -1 0 348.443 3.939 20 0 EHADRM CCSCc1ccnc([N-]S(=O)(=O)c2cccc(F)c2C)c1 ZINC000090367889 1032566079 /nfs/dbraw/zinc/56/60/79/1032566079.db2.gz SSWQTZUVISDEDI-UHFFFAOYSA-N -1 0 340.445 3.583 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)N(C1CC1)[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC000601990603 1032582816 /nfs/dbraw/zinc/58/28/16/1032582816.db2.gz DKPLXIHDUCWTOC-DCGLDWPTSA-N -1 0 347.480 3.650 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)[C@H](C)S[C@@H](C)C(=O)[O-])c1C ZINC000601989997 1032583141 /nfs/dbraw/zinc/58/31/41/1032583141.db2.gz FULWOZGLNGTOAA-DZKIICNBSA-N -1 0 335.469 3.562 20 0 EHADRM Cc1cccc([C@@H]2CCCCN2C(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])c1C ZINC000601990174 1032585320 /nfs/dbraw/zinc/58/53/20/1032585320.db2.gz GPANHMUGUSUTRN-VYDXJSESSA-N -1 0 349.496 3.952 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000606177443 1032588265 /nfs/dbraw/zinc/58/82/65/1032588265.db2.gz AJZZGQGOXLJXEV-GFCCVEGCSA-N -1 0 341.411 3.583 20 0 EHADRM CC(C)Nc1ccc(Cl)cc1NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-] ZINC000602003436 1032588099 /nfs/dbraw/zinc/58/80/99/1032588099.db2.gz HOYQJFXIVSBZJR-ZJUUUORDSA-N -1 0 344.864 3.694 20 0 EHADRM Cc1cccc(C)c1[C@@H]1CCCN1C(=O)[C@H](C)S[C@@H](C)C(=O)[O-] ZINC000602008668 1032590565 /nfs/dbraw/zinc/59/05/65/1032590565.db2.gz QKIGEGLPUBEUJX-KKUMJFAQSA-N -1 0 335.469 3.562 20 0 EHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000761375219 1032673821 /nfs/dbraw/zinc/67/38/21/1032673821.db2.gz FJXWLMLPVCRYQI-BENRWUELSA-N -1 0 329.783 3.758 20 0 EHADRM C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)NCCCCCC(=O)[O-])C1 ZINC000414629476 1017081690 /nfs/dbraw/zinc/08/16/90/1017081690.db2.gz RIKKASRNWXUVCW-NVXWUHKLSA-N -1 0 332.444 3.814 20 0 EHADRM Cc1ccc([C@@H]([N-]S(=O)(=O)CCC2CCCC2)C(F)(F)F)o1 ZINC000655660313 1017348793 /nfs/dbraw/zinc/34/87/93/1017348793.db2.gz UELNNDGVIFDVNJ-CYBMUJFWSA-N -1 0 339.379 3.691 20 0 EHADRM CN(CC(C)(C)C(=O)[O-])C(=O)N(c1ccccc1)c1ccccc1 ZINC000547927328 1017378845 /nfs/dbraw/zinc/37/88/45/1017378845.db2.gz HVLQJWHFLWXMPY-UHFFFAOYSA-N -1 0 326.396 3.987 20 0 EHADRM CC(C)(C)c1ncc(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)s1 ZINC000236644211 1017396921 /nfs/dbraw/zinc/39/69/21/1017396921.db2.gz KFSNMJKXNGFNBU-RMKNXTFCSA-N -1 0 330.409 3.791 20 0 EHADRM CCOc1ccc(OCC)c(NC(=O)CC(CC)(CC)C(=O)[O-])c1 ZINC000011263965 1017496594 /nfs/dbraw/zinc/49/65/94/1017496594.db2.gz IDORYNCUCWOVOE-UHFFFAOYSA-N -1 0 337.416 3.704 20 0 EHADRM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000683631669 1017812393 /nfs/dbraw/zinc/81/23/93/1017812393.db2.gz JJFHCXDSQNQZJL-CBAPKCEASA-N -1 0 339.716 3.988 20 0 EHADRM CCC[C@@H](NC(=O)NC[C@H](C)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000655865719 1017817877 /nfs/dbraw/zinc/81/78/77/1017817877.db2.gz JZVGIKQAYOPHJP-GXFFZTMASA-N -1 0 346.349 3.567 20 0 EHADRM C[C@@H](CNC(=O)N[C@@H](C)c1ccc(Cl)c2ccccc21)C(=O)[O-] ZINC000655874409 1017832940 /nfs/dbraw/zinc/83/29/40/1017832940.db2.gz OUPPKWCKEMEVRK-QWRGUYRKSA-N -1 0 334.803 3.574 20 0 EHADRM CCN(C(=O)NC[C@H](C(=O)[O-])C(C)C)[C@@H](C)c1cc2ccccc2o1 ZINC000655891426 1017859406 /nfs/dbraw/zinc/85/94/06/1017859406.db2.gz DKYRPLUXAUHQNO-ZFWWWQNUSA-N -1 0 346.427 3.882 20 0 EHADRM Cc1cccc(CN(C)C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1C ZINC000655900771 1017878001 /nfs/dbraw/zinc/87/80/01/1017878001.db2.gz WUYSQMPLJCUFLL-BHYGNILZSA-N -1 0 346.471 3.580 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c(OC)c1 ZINC000460453262 1017881515 /nfs/dbraw/zinc/88/15/15/1017881515.db2.gz IGNKQSLNCCVCLZ-UHFFFAOYSA-N -1 0 335.425 3.628 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)CC/C=C\c1ccccc1 ZINC000579977327 1017947261 /nfs/dbraw/zinc/94/72/61/1017947261.db2.gz FHQANNMWDDEAHE-UITAMQMPSA-N -1 0 348.406 3.918 20 0 EHADRM Cc1cc(Nc2ncc(Cl)nc2Br)ccc1C(=O)[O-] ZINC001211650065 1017973019 /nfs/dbraw/zinc/97/30/19/1017973019.db2.gz NOKMQIVAOAUWSY-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM Clc1cccc(-c2noc(=NCc3noc4ccccc43)[n-]2)c1 ZINC000580018473 1018132198 /nfs/dbraw/zinc/13/21/98/1018132198.db2.gz KJPWFBKORORKBQ-UHFFFAOYSA-N -1 0 326.743 3.565 20 0 EHADRM COCc1cc(NC(=O)C[C@@H]2CCc3ccccc32)cc(C(=O)[O-])c1 ZINC000644631682 1018132928 /nfs/dbraw/zinc/13/29/28/1018132928.db2.gz BUIMKOLSKDUYOM-HNNXBMFYSA-N -1 0 339.391 3.590 20 0 EHADRM O=C([O-])C[S@](=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000613676764 1018261068 /nfs/dbraw/zinc/26/10/68/1018261068.db2.gz UVODRVWLRHRXAR-NRFANRHFSA-N -1 0 343.231 3.916 20 0 EHADRM Cc1[nH]nc(C(=O)N2CCC(c3ccc(C(C)(C)C)cc3)CC2)c1[O-] ZINC000651015148 1018265618 /nfs/dbraw/zinc/26/56/18/1018265618.db2.gz CIOORUJHHJHOHU-UHFFFAOYSA-N -1 0 341.455 3.741 20 0 EHADRM CC(C)(C)CC(C)(C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000013076288 1018303813 /nfs/dbraw/zinc/30/38/13/1018303813.db2.gz LEPAVUBDEFYYPM-UHFFFAOYSA-N -1 0 347.864 3.531 20 0 EHADRM Cc1ccc(C[C@H](C)N(C)C(=O)N=c2nc(C(C)(C)C)[n-]s2)cc1 ZINC000606571701 1032755504 /nfs/dbraw/zinc/75/55/04/1032755504.db2.gz PULGYDQMFZGTLO-ZDUSSCGKSA-N -1 0 346.500 3.661 20 0 EHADRM CCc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1C(=O)[O-] ZINC000325506075 1032768472 /nfs/dbraw/zinc/76/84/72/1032768472.db2.gz NBDUANNGGUCFNP-UHFFFAOYSA-N -1 0 347.436 3.871 20 0 EHADRM CC(C)[C@H]1CN(Cc2c(C(=O)[O-])sc3cccc(F)c32)CCO1 ZINC000516656689 1018547090 /nfs/dbraw/zinc/54/70/90/1018547090.db2.gz JQTFYLJQNDTCTI-CYBMUJFWSA-N -1 0 337.416 3.595 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CC[C@]2(C1)CCc1ccccc1O2 ZINC000377974846 1018624696 /nfs/dbraw/zinc/62/46/96/1018624696.db2.gz PUQCDRAVSHSHBS-IBGZPJMESA-N -1 0 343.810 3.656 20 0 EHADRM O=C(C=Cc1ccnc(Cl)c1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000255169119 1018636386 /nfs/dbraw/zinc/63/63/86/1018636386.db2.gz ATFKVLYWNYYYSQ-RJRFIUFISA-N -1 0 331.784 3.817 20 0 EHADRM C[C@@H]1CC(F)(F)CCN1Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000528772603 1032789756 /nfs/dbraw/zinc/78/97/56/1032789756.db2.gz LZBQXWJECDLTOD-SECBINFHSA-N -1 0 343.757 3.772 20 0 EHADRM Cc1c2ccccc2nc(N2CC=C(C(F)(F)F)CC2)c1C(=O)[O-] ZINC000580315359 1019016130 /nfs/dbraw/zinc/01/61/30/1019016130.db2.gz FAJLZJBBRJYVFP-UHFFFAOYSA-N -1 0 336.313 3.940 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)c(C)n1 ZINC000340634730 1019034109 /nfs/dbraw/zinc/03/41/09/1019034109.db2.gz VHKMAGWTCSHGPO-UHFFFAOYSA-N -1 0 349.214 3.945 20 0 EHADRM Cc1ncc(-c2ccc(NC(=O)c3ccc(C(=O)[O-])s3)cc2)o1 ZINC000340637767 1019047784 /nfs/dbraw/zinc/04/77/84/1019047784.db2.gz IASYWQYAHXOAPQ-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM CNC(=O)c1ccc(F)c(Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC001210929122 1019079031 /nfs/dbraw/zinc/07/90/31/1019079031.db2.gz UCAGPTRNZDDTDM-UHFFFAOYSA-N -1 0 329.158 3.941 20 0 EHADRM Nc1ccc(Nc2cccc([S-])c2)c(I)c1 ZINC001210947546 1019104037 /nfs/dbraw/zinc/10/40/37/1019104037.db2.gz RMJGRWNSMWBRIY-UHFFFAOYSA-N -1 0 342.205 3.906 20 0 EHADRM O=C([N-]S(=O)(=O)Cc1ccccc1)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000050205095 1019263451 /nfs/dbraw/zinc/26/34/51/1019263451.db2.gz FDEAYKFATCPKOL-HZPDHXFCSA-N -1 0 349.839 3.930 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NCc1cnn(Cc2ccccc2)c1 ZINC000340688859 1019352725 /nfs/dbraw/zinc/35/27/25/1019352725.db2.gz GLQFGMPLVNISGV-UHFFFAOYSA-N -1 0 335.407 3.859 20 0 EHADRM CO[C@H](C)c1nc(=NC[C@H](Cc2ccccc2)C(F)(F)F)s[n-]1 ZINC000580493586 1019480161 /nfs/dbraw/zinc/48/01/61/1019480161.db2.gz KOAVDOANDMKVMY-PWSUYJOCSA-N -1 0 345.390 3.501 20 0 EHADRM CN(C(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1ccc(Oc2ccccc2)cc1 ZINC000262160265 1019551414 /nfs/dbraw/zinc/55/14/14/1019551414.db2.gz PUEPROBPVGNMOP-IAGOWNOFSA-N -1 0 325.364 3.553 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccc(C)n3)cc2)s1 ZINC000340720741 1019603523 /nfs/dbraw/zinc/60/35/23/1019603523.db2.gz KEWWLVLQGQCAGY-UHFFFAOYSA-N -1 0 347.465 3.605 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)C=C(C)c1cccc(OC)c1 ZINC000083769403 1019610465 /nfs/dbraw/zinc/61/04/65/1019610465.db2.gz DMOJEMDSEBDFLO-BENRWUELSA-N -1 0 325.430 3.573 20 0 EHADRM Cc1cc(OCc2ccccc2)ccc1NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000262657214 1019698238 /nfs/dbraw/zinc/69/82/38/1019698238.db2.gz LYUDZHJGHUGGII-SJORKVTESA-N -1 0 339.391 3.623 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)[C@H]2CCCC(C)(C)C2)c1OC ZINC000262944875 1019775405 /nfs/dbraw/zinc/77/54/05/1019775405.db2.gz CQORIFZGXUUQKU-NSHDSACASA-N -1 0 335.400 3.557 20 0 EHADRM Cc1cccc(OCCCCC(=O)N2CC[C@@](C(=O)[O-])(C(C)C)C2)c1 ZINC000262996623 1019784042 /nfs/dbraw/zinc/78/40/42/1019784042.db2.gz VXSRPGMCESSKKN-FQEVSTJZSA-N -1 0 347.455 3.503 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cccc(Cl)c2Cl)n[nH]c1C1CC1 ZINC000760321810 1032854519 /nfs/dbraw/zinc/85/45/19/1032854519.db2.gz JABRDWZVKBTXOU-UHFFFAOYSA-N -1 0 346.239 3.703 20 0 EHADRM C[C@H](C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1)c1c(F)cccc1F ZINC000263126478 1019823992 /nfs/dbraw/zinc/82/39/92/1019823992.db2.gz LCQQDZSWGLGXIT-LRDDRELGSA-N -1 0 347.361 3.791 20 0 EHADRM CN(C(=O)c1ccc(C(C)(C)C)cc1)c1ccc(OCC(=O)[O-])cc1 ZINC000263205867 1019838953 /nfs/dbraw/zinc/83/89/53/1019838953.db2.gz ZBQCNOYMVMOABV-UHFFFAOYSA-N -1 0 341.407 3.724 20 0 EHADRM CC(=O)c1cccc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)c1O ZINC000580775321 1020002020 /nfs/dbraw/zinc/00/20/20/1020002020.db2.gz CXVOFWLVDFFRIR-MNOVXSKESA-N -1 0 329.318 3.902 20 0 EHADRM C[C@@H](Oc1nc(Cl)cc(=O)[n-]1)c1cccc(Br)c1F ZINC001225563402 1020007965 /nfs/dbraw/zinc/00/79/65/1020007965.db2.gz UPXZZGILHYIANF-ZCFIWIBFSA-N -1 0 347.571 3.877 20 0 EHADRM Cc1c(NCC(C)(C)C)cccc1C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000574276447 1032875946 /nfs/dbraw/zinc/87/59/46/1032875946.db2.gz BYZCVKHHHOSUGD-OAHLLOKOSA-N -1 0 346.471 3.780 20 0 EHADRM CC[C@](C)(OC)C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000280130896 1020122941 /nfs/dbraw/zinc/12/29/41/1020122941.db2.gz BENBZNYAPCPHAU-LBPRGKRZSA-N -1 0 336.613 3.562 20 0 EHADRM Cc1nc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc(C2CC2)n1 ZINC000127487253 1020222848 /nfs/dbraw/zinc/22/28/48/1020222848.db2.gz COVCIDSLXSIDTE-UHFFFAOYSA-N -1 0 331.441 3.587 20 0 EHADRM O=S(=O)([N-]c1cncc2ccccc21)c1ccc2ncsc2c1 ZINC000548146071 1020236720 /nfs/dbraw/zinc/23/67/20/1020236720.db2.gz FRQLHRTYQXAPRX-UHFFFAOYSA-N -1 0 341.417 3.645 20 0 EHADRM O=C([O-])c1ccccc1C[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000581077259 1020409474 /nfs/dbraw/zinc/40/94/74/1020409474.db2.gz KJLUJPPIGBXQQE-MRXNPFEDSA-N -1 0 341.382 3.619 20 0 EHADRM O=C([O-])CSCc1ccc(-c2ccc(C3(CO)CC3)cc2)cc1F ZINC000581083741 1020411410 /nfs/dbraw/zinc/41/14/10/1020411410.db2.gz YZDDXMMCPRFGHO-UHFFFAOYSA-N -1 0 346.423 3.834 20 0 EHADRM CC(C)c1ccccc1S(=O)(=O)[N-]c1nnc(-c2ccco2)s1 ZINC000345687151 1020453033 /nfs/dbraw/zinc/45/30/33/1020453033.db2.gz YVXOZTBOTVVMIW-UHFFFAOYSA-N -1 0 349.437 3.722 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)Nc1ccc2[nH]ccc2c1 ZINC000581229224 1020558201 /nfs/dbraw/zinc/55/82/01/1020558201.db2.gz SDIJINWWPJUCCO-MRXNPFEDSA-N -1 0 329.400 3.713 20 0 EHADRM O=C(Nc1cccc(Br)c1)Nc1ccc(O)c(F)c1 ZINC000398464270 1020669408 /nfs/dbraw/zinc/66/94/08/1020669408.db2.gz MGEJREOEIADKEP-UHFFFAOYSA-N -1 0 325.137 3.938 20 0 EHADRM COc1cccc([C@H](C(=O)[O-])N(C)C(=O)Nc2cc(C)cc(C)c2)c1 ZINC000656475384 1020688267 /nfs/dbraw/zinc/68/82/67/1020688267.db2.gz TWIAVEMQZVACOT-QGZVFWFLSA-N -1 0 342.395 3.602 20 0 EHADRM O=C([O-])c1ccc2c(c1)[C@H](CNC(=O)CCc1ccccc1)CCC2 ZINC000656475453 1020695836 /nfs/dbraw/zinc/69/58/36/1020695836.db2.gz UVPFXLZHPNKDIW-SFHVURJKSA-N -1 0 337.419 3.554 20 0 EHADRM O=C([O-])C1(CC(=O)NCc2cc(Cl)cc(Cl)c2)CCCC1 ZINC000656484014 1020707297 /nfs/dbraw/zinc/70/72/97/1020707297.db2.gz JCNJCYNWUHQXDD-UHFFFAOYSA-N -1 0 330.211 3.645 20 0 EHADRM CN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2cccc(O)c2)C1 ZINC000048417808 1020814753 /nfs/dbraw/zinc/81/47/53/1020814753.db2.gz CSQLZECORAOGMQ-ZROIWOOFSA-N -1 0 346.386 3.625 20 0 EHADRM Cc1ccc(Cc2nnc([N-]C(=O)c3cc(C(C)C)no3)s2)cc1 ZINC000070859411 1020854795 /nfs/dbraw/zinc/85/47/95/1020854795.db2.gz BCUBQCMMMHEALV-UHFFFAOYSA-N -1 0 342.424 3.801 20 0 EHADRM Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H](CC(=O)[O-])c1ccncc1 ZINC000656567157 1020924163 /nfs/dbraw/zinc/92/41/63/1020924163.db2.gz FRKFFBCFFTXBJV-HNNXBMFYSA-N -1 0 338.329 3.714 20 0 EHADRM C[C@H]1CCN(c2nccc3cc(C(F)(F)F)ccc32)C[C@H]1C(=O)[O-] ZINC000581488654 1021011152 /nfs/dbraw/zinc/01/11/52/1021011152.db2.gz SJIRKBGHHWPEHA-IINYFYTJSA-N -1 0 338.329 3.801 20 0 EHADRM CSc1cc(Cl)ccc1[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000656632638 1021065828 /nfs/dbraw/zinc/06/58/28/1021065828.db2.gz HWAQCKOKBZANCM-UHFFFAOYSA-N -1 0 345.877 3.640 20 0 EHADRM O=C(Nc1ccc(F)c(F)c1[O-])c1ccccc1OC(F)(F)F ZINC001625987830 1032955266 /nfs/dbraw/zinc/95/52/66/1032955266.db2.gz FLSSACLIHKIGBG-UHFFFAOYSA-N -1 0 333.212 3.821 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)s1 ZINC000108440261 1021172300 /nfs/dbraw/zinc/17/23/00/1021172300.db2.gz QWUVDDYTDBYLDI-UHFFFAOYSA-N -1 0 340.445 3.597 20 0 EHADRM C[C@@H]1CCN(c2cc(C(=O)Nc3cc(Cl)c([O-])cc3F)ccn2)C1 ZINC000436775352 1021203589 /nfs/dbraw/zinc/20/35/89/1021203589.db2.gz WREGTEIWOLQNMC-SNVBAGLBSA-N -1 0 349.793 3.678 20 0 EHADRM CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(C3CCC3)cc2)c1C ZINC000518474928 1021219596 /nfs/dbraw/zinc/21/95/96/1021219596.db2.gz UPBUHUODZOTCHJ-UHFFFAOYSA-N -1 0 333.457 3.588 20 0 EHADRM Cn1cnc2cc(/C=C(/CC(=O)[O-])c3nc4ccccc4o3)ccc21 ZINC000341269542 1021243425 /nfs/dbraw/zinc/24/34/25/1021243425.db2.gz LOGQUZYRJODKTM-JYRVWZFOSA-N -1 0 333.347 3.730 20 0 EHADRM CC(C)(C)c1nnsc1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000436816948 1021244926 /nfs/dbraw/zinc/24/49/26/1021244926.db2.gz VACFMZLUEXXQPQ-UHFFFAOYSA-N -1 0 329.784 3.586 20 0 EHADRM O=C([O-])[C@H]1CC[C@H]1C(=O)Nc1cc(F)ccc1Oc1ccccc1 ZINC000507401909 1021253904 /nfs/dbraw/zinc/25/39/04/1021253904.db2.gz KBVFDYNMVUVZAA-KGLIPLIRSA-N -1 0 329.327 3.667 20 0 EHADRM CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(F)c(F)c1[O-] ZINC001625988303 1032968206 /nfs/dbraw/zinc/96/82/06/1032968206.db2.gz VACNHSCQSPYOKU-GFCCVEGCSA-N -1 0 325.286 3.606 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1cc(F)c([O-])c(F)c1)Cc1ccccc1 ZINC000436832760 1021265122 /nfs/dbraw/zinc/26/51/22/1021265122.db2.gz IKCAKZLBFMIDFX-OAHLLOKOSA-N -1 0 333.378 3.915 20 0 EHADRM O=C(c1cc(F)cc(Br)c1[O-])N1C[C@@H]2CCCC[C@@H]2C1 ZINC000436846676 1021291354 /nfs/dbraw/zinc/29/13/54/1021291354.db2.gz CLBMXDQZPZAAKC-AOOOYVTPSA-N -1 0 342.208 3.556 20 0 EHADRM C[C@@H]1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000656765406 1021295816 /nfs/dbraw/zinc/29/58/16/1021295816.db2.gz LEOHSYOYJZFAGW-BFVZDQMLSA-N -1 0 332.227 3.618 20 0 EHADRM O=C(Nc1ccc(F)c(F)c1[O-])c1cnn(-c2ccccc2Cl)c1 ZINC001625988104 1032965927 /nfs/dbraw/zinc/96/59/27/1032965927.db2.gz QDPJXPXTQSSBLJ-UHFFFAOYSA-N -1 0 349.724 3.762 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2csc(Br)c2)c1 ZINC000436860480 1021297788 /nfs/dbraw/zinc/29/77/88/1021297788.db2.gz GXTMQYDXZIVJKP-UHFFFAOYSA-N -1 0 340.198 3.671 20 0 EHADRM COc1cccc(/C=C/c2nc3cc(C(=O)[O-])ccc3o2)c1OC ZINC000439280746 1021318623 /nfs/dbraw/zinc/31/86/23/1021318623.db2.gz VPJCYLTUMSQWCV-VQHVLOKHSA-N -1 0 325.320 3.714 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CCOc2ccc(C)c(C)c2)c1 ZINC000436876218 1021319107 /nfs/dbraw/zinc/31/91/07/1021319107.db2.gz HFNOPNUMMQVUKV-UHFFFAOYSA-N -1 0 327.380 3.619 20 0 EHADRM Cc1c(C(=O)[O-])sc2ncnc(N3CCc4ccc(C)cc4C3)c12 ZINC000656781917 1021320406 /nfs/dbraw/zinc/32/04/06/1021320406.db2.gz CZSNWPBLHJYPNK-UHFFFAOYSA-N -1 0 339.420 3.569 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CCOc2ccc(C)cc2C)c1 ZINC000436879544 1021330026 /nfs/dbraw/zinc/33/00/26/1021330026.db2.gz XIBHCSIRLYGJKA-UHFFFAOYSA-N -1 0 327.380 3.619 20 0 EHADRM O=C(c1cccc(Br)c1[O-])N(Cc1ccccc1)C1CC1 ZINC000518574107 1021330773 /nfs/dbraw/zinc/33/07/73/1021330773.db2.gz NNVXWXOMTAHHKI-UHFFFAOYSA-N -1 0 346.224 3.960 20 0 EHADRM O=C(NC[C@H]1CCO[C@H]1c1ccccc1)c1cc(F)c([O-])c(Cl)c1 ZINC000436914015 1021368857 /nfs/dbraw/zinc/36/88/57/1021368857.db2.gz XRVVYLSZXAOUFT-PXAZEXFGSA-N -1 0 349.789 3.692 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CC(OCCCc2ccccc2)C1 ZINC000436924443 1021385042 /nfs/dbraw/zinc/38/50/42/1021385042.db2.gz GZLTVJUCOJJYRD-UHFFFAOYSA-N -1 0 345.826 3.519 20 0 EHADRM Cc1ccc(CC[C@@H](C)NC(=O)c2cc(F)c([O-])c(Cl)c2)o1 ZINC000436925029 1021385491 /nfs/dbraw/zinc/38/54/91/1021385491.db2.gz YXJQFAJRFKEUIG-SECBINFHSA-N -1 0 325.767 3.837 20 0 EHADRM C[C@H](NC(=O)c1cc(F)ccc1O)c1ccccc1OC(F)F ZINC000436929777 1021392931 /nfs/dbraw/zinc/39/29/31/1021392931.db2.gz WAJHDEGNBSJZGF-VIFPVBQESA-N -1 0 325.286 3.624 20 0 EHADRM CCc1noc(C)c1CNC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436950839 1021408627 /nfs/dbraw/zinc/40/86/27/1021408627.db2.gz WIUAYKZJTZFENI-UHFFFAOYSA-N -1 0 344.798 3.988 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000436976773 1021432790 /nfs/dbraw/zinc/43/27/90/1021432790.db2.gz APYTULARQWTFSK-UHFFFAOYSA-N -1 0 349.352 3.904 20 0 EHADRM COc1cccc(NC(=O)c2c([O-])cc(Cl)cc2Cl)c1O ZINC000436968509 1021438530 /nfs/dbraw/zinc/43/85/30/1021438530.db2.gz VSYNUBANWYWFDN-UHFFFAOYSA-N -1 0 328.151 3.666 20 0 EHADRM COc1ccccc1NC(=O)c1cc(F)cc(Br)c1[O-] ZINC000437007368 1021462779 /nfs/dbraw/zinc/46/27/79/1021462779.db2.gz ZZDQSYWYUIBTAC-UHFFFAOYSA-N -1 0 340.148 3.555 20 0 EHADRM CCN(CC)[C@H](CN=c1[n-]nc(C2CC2)o1)c1ccccc1Cl ZINC000341344503 1021474978 /nfs/dbraw/zinc/47/49/78/1021474978.db2.gz NZIRUVPYJYLYHC-OAHLLOKOSA-N -1 0 334.851 3.517 20 0 EHADRM O=C([O-])[C@]12CCC[C@@H]1CN(C(=O)c1ccccc1Cc1ccccc1)C2 ZINC000341341073 1021477243 /nfs/dbraw/zinc/47/72/43/1021477243.db2.gz AYOIIMSRHZKPGB-GCJKJVERSA-N -1 0 349.430 3.604 20 0 EHADRM CCCc1cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)sc1C ZINC000126704323 1021520974 /nfs/dbraw/zinc/52/09/74/1021520974.db2.gz IXZNCXVKHAVRIC-INIZCTEOSA-N -1 0 340.448 3.648 20 0 EHADRM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000439569023 1021562759 /nfs/dbraw/zinc/56/27/59/1021562759.db2.gz KEMXNJABLHWADJ-UHFFFAOYSA-N -1 0 337.404 3.825 20 0 EHADRM Cc1ccccc1COc1cccc([N-]S(=O)(=O)c2ccoc2)c1 ZINC000506631428 1021586306 /nfs/dbraw/zinc/58/63/06/1021586306.db2.gz IONFHGOUSLMXIK-UHFFFAOYSA-N -1 0 343.404 3.968 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2nnc(C(CC)CC)s2)cc1 ZINC000437175510 1021612248 /nfs/dbraw/zinc/61/22/48/1021612248.db2.gz HZGLVJWSPJHEIL-UHFFFAOYSA-N -1 0 339.486 3.805 20 0 EHADRM Cc1cc(CNC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)ccc1Cl ZINC000519681354 1021619522 /nfs/dbraw/zinc/61/95/22/1021619522.db2.gz LEPJXVCWQKZLIO-INIZCTEOSA-N -1 0 346.814 3.616 20 0 EHADRM Cc1coc(-c2cccc(NC(=O)N(CC(=O)[O-])C3CCCC3)c2)n1 ZINC000516705316 1021673207 /nfs/dbraw/zinc/67/32/07/1021673207.db2.gz LFSFNIMIQXNBCI-UHFFFAOYSA-N -1 0 343.383 3.511 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)Nc2nc(C3CC3)cs2)c1 ZINC000261679310 1033000950 /nfs/dbraw/zinc/00/09/50/1033000950.db2.gz IAJMIODLBSBCOA-UHFFFAOYSA-N -1 0 331.397 3.682 20 0 EHADRM Cc1cccc(S(=O)(=O)Nc2cc(C)c(C)c3ncccc23)c1 ZINC000437317244 1021726183 /nfs/dbraw/zinc/72/61/83/1021726183.db2.gz HBNDFKWOBYIEPE-UHFFFAOYSA-N -1 0 326.421 3.961 20 0 EHADRM CC(C)(C)c1cnc([N-]S(=O)(=O)c2cc(F)ccc2F)s1 ZINC000437318834 1021727473 /nfs/dbraw/zinc/72/74/73/1021727473.db2.gz PAGNDEDVNYZDHB-UHFFFAOYSA-N -1 0 332.397 3.520 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2F)c2cccnc2c1C ZINC000437325389 1021736506 /nfs/dbraw/zinc/73/65/06/1021736506.db2.gz OJVQLUKAMMKYTO-UHFFFAOYSA-N -1 0 348.374 3.931 20 0 EHADRM Cc1cc(C)c(CNC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)c(C)c1 ZINC000519893906 1021753665 /nfs/dbraw/zinc/75/36/65/1021753665.db2.gz JHIQYWHKSHIFCW-NRFANRHFSA-N -1 0 339.435 3.661 20 0 EHADRM COCc1ccccc1[N-]S(=O)(=O)c1csc2ccccc21 ZINC000506690894 1021758538 /nfs/dbraw/zinc/75/85/38/1021758538.db2.gz SFUJTTZVPZRDKP-UHFFFAOYSA-N -1 0 333.434 3.849 20 0 EHADRM CCc1nc(=N[C@H](C)c2ccc(OCC(C)C)c(OC)c2)s[n-]1 ZINC000426516955 1021784292 /nfs/dbraw/zinc/78/42/92/1021784292.db2.gz XNKYHWFOZVBYLO-GFCCVEGCSA-N -1 0 335.473 3.739 20 0 EHADRM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000909415133 1021786003 /nfs/dbraw/zinc/78/60/03/1021786003.db2.gz SBBROBIWIVBHNJ-ZIFSDGCESA-N -1 0 345.414 3.565 20 0 EHADRM CC[C@H]1CCCC[C@H]1NC(=O)c1cc(Br)c(F)cc1[O-] ZINC001141540384 1021795747 /nfs/dbraw/zinc/79/57/47/1021795747.db2.gz LIYQDMZYIWJZAR-TVQRCGJNSA-N -1 0 344.224 3.992 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)n1 ZINC000439885226 1021797963 /nfs/dbraw/zinc/79/79/63/1021797963.db2.gz XVZFNXCRDLTUAO-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM CCSc1ccc(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000439916172 1021823409 /nfs/dbraw/zinc/82/34/09/1021823409.db2.gz FEUYJULANGJCNQ-UHFFFAOYSA-N -1 0 341.432 3.695 20 0 EHADRM Cc1n[n-]c(=NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)s1 ZINC000607142716 1033009214 /nfs/dbraw/zinc/00/92/14/1033009214.db2.gz AERLTKRKOYSRML-BQBZGAKWSA-N -1 0 333.301 3.590 20 0 EHADRM Cc1cccc(C)c1CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000439927345 1021832427 /nfs/dbraw/zinc/83/24/27/1021832427.db2.gz FKOAMJKBEPVLAC-KRWDZBQOSA-N -1 0 345.826 3.832 20 0 EHADRM COc1ccc(C(=O)CSc2ccccc2Cl)c2occ([O-])c21 ZINC000519235134 1021950552 /nfs/dbraw/zinc/95/05/52/1021950552.db2.gz YLWKIPKEXKTFNY-UHFFFAOYSA-N -1 0 348.807 3.899 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)c1C ZINC000188237333 1021956173 /nfs/dbraw/zinc/95/61/73/1021956173.db2.gz NGNMXAIQNXRGIT-UHFFFAOYSA-N -1 0 339.420 3.561 20 0 EHADRM C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)c1cccc2ccccc21 ZINC000517028300 1021958111 /nfs/dbraw/zinc/95/81/11/1021958111.db2.gz AKEJEEALYHPDID-GLJUWKHASA-N -1 0 340.423 3.653 20 0 EHADRM CC(C)Cc1ccc(CC(=O)[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000048454029 1022009372 /nfs/dbraw/zinc/00/93/72/1022009372.db2.gz NQYIQDDOLUKVFE-UHFFFAOYSA-N -1 0 349.427 3.912 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N[C@H]2CCC[C@@H]2C)s1)c1ccccc1 ZINC000519340823 1022021097 /nfs/dbraw/zinc/02/10/97/1022021097.db2.gz IZLZSLNYVPYWIO-CFVMTHIKSA-N -1 0 344.484 3.812 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)N[C@H](c2ccccc2)C2CCC2)s1 ZINC000517115460 1022040819 /nfs/dbraw/zinc/04/08/19/1022040819.db2.gz QBQYIFKXIGRNQH-CQSZACIVSA-N -1 0 344.484 3.920 20 0 EHADRM CC(C)c1nccc(Sc2n[n-]c(=NC3CCCCC3)s2)n1 ZINC000520308315 1022116577 /nfs/dbraw/zinc/11/65/77/1022116577.db2.gz PGQCXCIBEWQCNN-UHFFFAOYSA-N -1 0 335.502 3.769 20 0 EHADRM Cc1oc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1C(=O)[O-] ZINC000581895668 1022212064 /nfs/dbraw/zinc/21/20/64/1022212064.db2.gz LRPKZLMVENVARR-MRXNPFEDSA-N -1 0 335.787 3.513 20 0 EHADRM CCc1cc2c([n-]c(-c3nnc(-c4ccccc4)s3)nc2=O)s1 ZINC000187764135 1022236448 /nfs/dbraw/zinc/23/64/48/1022236448.db2.gz UHXOVSFYKKITID-UHFFFAOYSA-N -1 0 340.433 3.733 20 0 EHADRM CCCc1n[n-]c(=NC(=O)c2ccc(-c3csc(C)n3)cc2)s1 ZINC000440421187 1022240167 /nfs/dbraw/zinc/24/01/67/1022240167.db2.gz ZDZVKFNAALGMQM-UHFFFAOYSA-N -1 0 344.465 3.597 20 0 EHADRM CC(C)[C@H](C(=O)N=c1nc(C(C)(C)C)[n-]s1)c1ccc(F)cc1 ZINC000550343379 1022290902 /nfs/dbraw/zinc/29/09/02/1022290902.db2.gz GWEQFPQCGUJRAF-ZDUSSCGKSA-N -1 0 335.448 3.775 20 0 EHADRM CCCCOc1ccc(C(=O)N=c2cc(C)c(C)n[n-]2)c(Cl)c1 ZINC000471805061 1022291944 /nfs/dbraw/zinc/29/19/44/1022291944.db2.gz QDYCVMVFRGXIMD-UHFFFAOYSA-N -1 0 333.819 3.600 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655574477 1022383781 /nfs/dbraw/zinc/38/37/81/1022383781.db2.gz AKAPRXNIOBGCQU-JQVOGXOBSA-N -1 0 335.488 3.845 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21)C1CC1 ZINC000581921713 1022406040 /nfs/dbraw/zinc/40/60/40/1022406040.db2.gz SIBSUEBDPJOYGZ-CABCVRRESA-N -1 0 348.443 3.639 20 0 EHADRM O=C(CCCc1cccc(C(F)(F)F)c1)N=c1ccc(C2CC2)n[n-]1 ZINC000471821876 1022421023 /nfs/dbraw/zinc/42/10/23/1022421023.db2.gz LSCZJJCYALQZBI-UHFFFAOYSA-N -1 0 349.356 3.756 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)CCc2cccc(Cl)c2)no1 ZINC000506847856 1022480777 /nfs/dbraw/zinc/48/07/77/1022480777.db2.gz BXHZXIUHTKPYKW-UHFFFAOYSA-N -1 0 342.848 3.610 20 0 EHADRM Fc1ccccc1Cc1n[n-]c(=NCc2ccc(Cl)cc2F)o1 ZINC000438246602 1022501866 /nfs/dbraw/zinc/50/18/66/1022501866.db2.gz HQGKJLUJEXHNSC-UHFFFAOYSA-N -1 0 335.741 3.626 20 0 EHADRM O=S(=O)([N-]c1cccc2n[nH]cc21)c1cccc(Cl)c1Cl ZINC000054293892 1022551197 /nfs/dbraw/zinc/55/11/97/1022551197.db2.gz NWCNOXNBNYSCRD-UHFFFAOYSA-N -1 0 342.207 3.671 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cccc(Cl)c2)[nH]nc1-c1ccccc1 ZINC000536308466 1022650011 /nfs/dbraw/zinc/65/00/11/1022650011.db2.gz IPEQNMQWANJYCD-UHFFFAOYSA-N -1 0 347.827 3.839 20 0 EHADRM C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000330879885 1022693502 /nfs/dbraw/zinc/69/35/02/1022693502.db2.gz YBAVMNIJXUNCBG-ONGXEEELSA-N -1 0 348.226 3.612 20 0 EHADRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(Cl)s2)c1C ZINC000331118201 1022749041 /nfs/dbraw/zinc/74/90/41/1022749041.db2.gz WLXAFHWRSRHLCT-QMMMGPOBSA-N -1 0 333.866 3.678 20 0 EHADRM NC(=O)CC[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000331239801 1022778226 /nfs/dbraw/zinc/77/82/26/1022778226.db2.gz OXWKVRZLANDQOM-SECBINFHSA-N -1 0 345.226 3.867 20 0 EHADRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc2ncccc12 ZINC000008697878 1022851653 /nfs/dbraw/zinc/85/16/53/1022851653.db2.gz NJWXWASGRPJFBQ-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM O=C(N[C@@H]1CC[C@H](Cc2ccccc2)C1)c1cc(F)c([O-])c(F)c1 ZINC000438686592 1022916218 /nfs/dbraw/zinc/91/62/18/1022916218.db2.gz OWKXBZVPVMIHCQ-UKRRQHHQSA-N -1 0 331.362 3.812 20 0 EHADRM Cc1noc(C)c1S(=O)(=O)N[C@@H](C)c1ccc(F)c2ccccc21 ZINC000341668472 1022922492 /nfs/dbraw/zinc/92/24/92/1022922492.db2.gz WZDADQDFTJWYEJ-JTQLQIEISA-N -1 0 348.399 3.623 20 0 EHADRM CC(C)Cn1cc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)cn1 ZINC000438755161 1022970362 /nfs/dbraw/zinc/97/03/62/1022970362.db2.gz RHWPNULQZVRPJA-UHFFFAOYSA-N -1 0 335.473 3.637 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 ZINC000237137980 1022970587 /nfs/dbraw/zinc/97/05/87/1022970587.db2.gz DXXHNJHURRKFHH-MPBGBICISA-N -1 0 342.439 3.666 20 0 EHADRM O=C([O-])C[C@H](NCc1coc(-c2ccccc2)n1)c1ccsc1 ZINC000426691886 1022979126 /nfs/dbraw/zinc/97/91/26/1022979126.db2.gz MGYSXRHQFPJZHH-HNNXBMFYSA-N -1 0 328.393 3.709 20 0 EHADRM Cc1cc(Cl)cc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c1O ZINC000438768534 1022983538 /nfs/dbraw/zinc/98/35/38/1022983538.db2.gz CUPJEHCYIMLFNR-UHFFFAOYSA-N -1 0 343.807 3.911 20 0 EHADRM Cc1cccc([C@H](NCc2c[nH]c(-c3ccccc3)n2)C(=O)[O-])c1C ZINC000426730881 1023000522 /nfs/dbraw/zinc/00/05/22/1023000522.db2.gz MVHWCIUFYOOAMM-SFHVURJKSA-N -1 0 335.407 3.609 20 0 EHADRM O=C([O-])[C@H](NCc1cccc(C(F)(F)F)c1)c1c(F)cccc1F ZINC000426741831 1023010644 /nfs/dbraw/zinc/01/06/44/1023010644.db2.gz HGLPJOHVYQOGII-CQSZACIVSA-N -1 0 345.267 3.899 20 0 EHADRM CC(C)n1cc(CN[C@H](C(=O)[O-])c2c(Cl)cccc2Cl)cn1 ZINC000426760666 1023031181 /nfs/dbraw/zinc/03/11/81/1023031181.db2.gz TWIOJKXVGOWRSU-AWEZNQCLSA-N -1 0 342.226 3.686 20 0 EHADRM CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000509575680 1023073207 /nfs/dbraw/zinc/07/32/07/1023073207.db2.gz XPUDOTCKZPGMFV-UHFFFAOYSA-N -1 0 341.379 3.863 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1ccccc1Oc1cc(F)cc(F)c1 ZINC000507312622 1023240761 /nfs/dbraw/zinc/24/07/61/1023240761.db2.gz UMWKFFJQGBOCQQ-UONOGXRCSA-N -1 0 347.317 3.806 20 0 EHADRM C[C@H](CSc1n[n-]c(=NC2CCCCC2)s1)C(F)(F)F ZINC000439052346 1023243350 /nfs/dbraw/zinc/24/33/50/1023243350.db2.gz CXKZNVCOWXIGDK-MRVPVSSYSA-N -1 0 325.425 3.995 20 0 EHADRM O=C([O-])[C@H]1CC[C@H]1C(=O)NCC1(c2ccc(Cl)cc2)CCCCC1 ZINC000507337042 1023245244 /nfs/dbraw/zinc/24/52/44/1023245244.db2.gz BANAADYJAIRRQY-CVEARBPZSA-N -1 0 349.858 3.769 20 0 EHADRM CN(Cc1csc(Br)c1)Cc1csc(C(=O)[O-])c1 ZINC000518387093 1023278612 /nfs/dbraw/zinc/27/86/12/1023278612.db2.gz XLIJIXTXFBEENR-UHFFFAOYSA-N -1 0 346.271 3.902 20 0 EHADRM C[C@@H](CC(=O)NCC1(CC(=O)[O-])CCCCC1)c1ccc(F)cc1 ZINC000537473867 1033121362 /nfs/dbraw/zinc/12/13/62/1033121362.db2.gz GDDLDJHIRCTNNR-AWEZNQCLSA-N -1 0 335.419 3.861 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2sc(C)cc2C)cc1F ZINC000431169604 1023372869 /nfs/dbraw/zinc/37/28/69/1023372869.db2.gz MNAUEMFNGSZBCC-UHFFFAOYSA-N -1 0 329.418 3.704 20 0 EHADRM CC(C)(C)[C@@H]1CCCN(C(=O)N=c2ccc(C(F)(F)F)n[n-]2)CC1 ZINC000471954753 1023414678 /nfs/dbraw/zinc/41/46/78/1023414678.db2.gz PUCDVSPPQPGMPA-LLVKDONJSA-N -1 0 344.381 3.597 20 0 EHADRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cccc(F)c2)c1C1CC1 ZINC000535686257 1023563942 /nfs/dbraw/zinc/56/39/42/1023563942.db2.gz PJGAGHVOHYCKLJ-LLVKDONJSA-N -1 0 337.420 3.671 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])NCc2ccccc2Cl)c1OC ZINC000277163418 1023889759 /nfs/dbraw/zinc/88/97/59/1023889759.db2.gz DIIAFQVZOLYSLC-OAHLLOKOSA-N -1 0 349.814 3.663 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2cccc(C(F)(F)F)c2)Cc2ccccc21 ZINC000326905357 1023959817 /nfs/dbraw/zinc/95/98/17/1023959817.db2.gz DNLCAJZBOQBALR-HNNXBMFYSA-N -1 0 349.308 3.530 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCC1CCC1)c1ccc(Cl)c(F)c1 ZINC000191091894 1024014012 /nfs/dbraw/zinc/01/40/12/1024014012.db2.gz WRPBBKPRBXMADO-AWEZNQCLSA-N -1 0 327.783 3.691 20 0 EHADRM CCC(CC)(C(=O)NC[C@@H](C)CC(=O)[O-])c1ccc(Cl)cc1 ZINC000262182262 1024021212 /nfs/dbraw/zinc/02/12/12/1024021212.db2.gz QVSCVQZEJZOCIA-LBPRGKRZSA-N -1 0 325.836 3.625 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000191205271 1024057469 /nfs/dbraw/zinc/05/74/69/1024057469.db2.gz OFOIBKJJVYDUDM-WMZOPIPTSA-N -1 0 331.456 3.749 20 0 EHADRM CC(C)c1ccc(OCCC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000236676094 1024060006 /nfs/dbraw/zinc/06/00/06/1024060006.db2.gz KOFLUIWJCMDPOG-MRXNPFEDSA-N -1 0 347.455 3.682 20 0 EHADRM O=C([O-])[C@]1(NCc2sccc2Cl)CCc2c1cccc2F ZINC000417571825 1024082528 /nfs/dbraw/zinc/08/25/28/1024082528.db2.gz UWMWJFBQSVXAIO-HNNXBMFYSA-N -1 0 325.792 3.557 20 0 EHADRM O=C([O-])[C@@H]1CCO[C@H]1c1cncc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000657204715 1024087081 /nfs/dbraw/zinc/08/70/81/1024087081.db2.gz PPSSKKPBYSNYDX-CABCVRRESA-N -1 0 337.297 3.930 20 0 EHADRM COCc1cc(-c2cccc(OCCCC(=O)[O-])c2)ccc1OC ZINC000657204496 1024102408 /nfs/dbraw/zinc/10/24/08/1024102408.db2.gz ZGBFKLYJRLTVKX-UHFFFAOYSA-N -1 0 330.380 3.752 20 0 EHADRM CC(C)(C(=O)[O-])c1ccccc1-c1ccc(O[C@H]2CCOC2)cc1 ZINC000657204430 1024102571 /nfs/dbraw/zinc/10/25/71/1024102571.db2.gz MGAISWMQJSAGDO-INIZCTEOSA-N -1 0 326.392 3.884 20 0 EHADRM CSc1cc(-c2ccc(O[C@@H]3CCOC3)cc2)ccc1C(=O)[O-] ZINC000657204439 1024103397 /nfs/dbraw/zinc/10/33/97/1024103397.db2.gz NTYYMMMIMGOYCX-OAHLLOKOSA-N -1 0 330.405 3.941 20 0 EHADRM Cc1n[n-]c(=NCc2ccc(Cl)c(C(F)(F)F)c2)n1C1CC1 ZINC000340702189 1024106867 /nfs/dbraw/zinc/10/68/67/1024106867.db2.gz UTXNHLWOGOPHDT-UHFFFAOYSA-N -1 0 330.741 3.628 20 0 EHADRM CC(C)c1ccc(S(=O)(=O)[N-]c2ncn(C3CCCCC3)n2)cc1 ZINC000182566331 1024110830 /nfs/dbraw/zinc/11/08/30/1024110830.db2.gz JVRWARQZNZQMCH-UHFFFAOYSA-N -1 0 348.472 3.708 20 0 EHADRM Cc1nc(CN[C@@]2(C(=O)[O-])C[C@@H](C(C)C)c3ccccc32)cs1 ZINC000417591054 1024118281 /nfs/dbraw/zinc/11/82/81/1024118281.db2.gz RRSAWAJDZXSHDF-YJBOKZPZSA-N -1 0 330.453 3.665 20 0 EHADRM COc1cc(C(=O)[O-])cc(NCc2ccc(C3CC3)cc2)c1OC ZINC000417592379 1024120589 /nfs/dbraw/zinc/12/05/89/1024120589.db2.gz UAEGJRKEPBWPPS-UHFFFAOYSA-N -1 0 327.380 3.892 20 0 EHADRM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C(=O)Nc1cccc(C)c1 ZINC000505432053 1024154158 /nfs/dbraw/zinc/15/41/58/1024154158.db2.gz DGGBQDGRMYNHOO-MRXNPFEDSA-N -1 0 341.798 3.626 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000520586941 1024161662 /nfs/dbraw/zinc/16/16/62/1024161662.db2.gz OYRNQKLPQWTIAI-ZBCRRDGASA-N -1 0 347.455 3.999 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)c1cccc2cnccc21 ZINC000075025011 1024181410 /nfs/dbraw/zinc/18/14/10/1024181410.db2.gz NSILZTQJRVZWLY-UHFFFAOYSA-N -1 0 346.795 3.582 20 0 EHADRM CC(C)c1ccc([C@@](C)(CC(=O)[O-])C(=O)Nc2ccc(O)cc2)cc1 ZINC000634816212 1024185700 /nfs/dbraw/zinc/18/57/00/1024185700.db2.gz FYGWTHXNCAGWQG-HXUWFJFHSA-N -1 0 341.407 3.887 20 0 EHADRM CC(C)=CCSC[C@H](NCc1cnc(CC(C)C)s1)C(=O)[O-] ZINC000417626682 1024189389 /nfs/dbraw/zinc/18/93/89/1024189389.db2.gz OOLAFJWKJKXBAL-AWEZNQCLSA-N -1 0 342.530 3.584 20 0 EHADRM CCOC1CC(CSc2n[n-]c(=Nc3cccc(F)c3)s2)C1 ZINC000505444896 1024202562 /nfs/dbraw/zinc/20/25/62/1024202562.db2.gz UQAQDJPCTCJDGB-UHFFFAOYSA-N -1 0 339.461 3.750 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)Cc2ccccc2Cl)cc1)C(=O)[O-] ZINC000191385252 1024206997 /nfs/dbraw/zinc/20/69/97/1024206997.db2.gz FUUMMKFSNYYBMS-LBPRGKRZSA-N -1 0 331.799 3.784 20 0 EHADRM Cc1cc(=NC(=O)Cc2coc3ccc4ccccc4c23)[n-]nc1C ZINC000522316377 1024223889 /nfs/dbraw/zinc/22/38/89/1024223889.db2.gz RFPITUAMCRQZNQ-UHFFFAOYSA-N -1 0 331.375 3.596 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@H]1CCN(C)c2ccccc21 ZINC000909513453 1024250645 /nfs/dbraw/zinc/25/06/45/1024250645.db2.gz RJLLXVBSXKKWJF-HNNXBMFYSA-N -1 0 338.407 3.564 20 0 EHADRM Cc1cc(Nc2nc(C)c(Br)c(C)n2)cc(C(=O)[O-])c1 ZINC001211534887 1024252081 /nfs/dbraw/zinc/25/20/81/1024252081.db2.gz ITEXPIAFLUZCBO-UHFFFAOYSA-N -1 0 336.189 3.606 20 0 EHADRM CC(C)(C)c1nsc([N-]C(=O)c2cc(-c3ccccc3F)on2)n1 ZINC000068072580 1024261844 /nfs/dbraw/zinc/26/18/44/1024261844.db2.gz HDFFOSNKZYWFKO-UHFFFAOYSA-N -1 0 346.387 3.882 20 0 EHADRM CCCN(Cc1ccccc1)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000520630121 1024291736 /nfs/dbraw/zinc/29/17/36/1024291736.db2.gz GNXCWVNUYJLENH-UHFFFAOYSA-N -1 0 332.473 3.702 20 0 EHADRM Cc1n[nH]cc1S(=O)(=O)[N-]c1ccccc1Oc1cccc(C)c1 ZINC000324226803 1024319198 /nfs/dbraw/zinc/31/91/98/1024319198.db2.gz TXZFHSQZQNXSKC-UHFFFAOYSA-N -1 0 343.408 3.620 20 0 EHADRM C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184267356 1024394890 /nfs/dbraw/zinc/39/48/90/1024394890.db2.gz FONZRXWSILFBFW-YGRLFVJLSA-N -1 0 329.799 3.510 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])[NH2+]Cc2ccccc2Cl)cc1OC ZINC000277278661 1024424651 /nfs/dbraw/zinc/42/46/51/1024424651.db2.gz LWLWBPABRWGBLU-OAHLLOKOSA-N -1 0 349.814 3.663 20 0 EHADRM CC[C@@H](CC(=O)[N-]S(=O)(=O)/C=C\c1ccccc1)c1ccccc1 ZINC000255445271 1024445179 /nfs/dbraw/zinc/44/51/79/1024445179.db2.gz CFKGCDYMSLLROJ-NJWFCXLTSA-N -1 0 343.448 3.687 20 0 EHADRM CC[C@H](CC(=O)[N-]S(=O)(=O)/C=C\c1ccccc1)c1ccccc1 ZINC000255445269 1024445399 /nfs/dbraw/zinc/44/53/99/1024445399.db2.gz CFKGCDYMSLLROJ-LKBMAGLMSA-N -1 0 343.448 3.687 20 0 EHADRM O=C(CCCc1ccc(O)c(F)c1)NCc1cccc2cc[nH]c21 ZINC000346162073 1024474452 /nfs/dbraw/zinc/47/44/52/1024474452.db2.gz OKOVDIJDOYHCFJ-UHFFFAOYSA-N -1 0 326.371 3.652 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccc(OC(F)F)c(F)c1 ZINC000607613661 1033218024 /nfs/dbraw/zinc/21/80/24/1033218024.db2.gz NNVJAQAOTBCUKN-UHFFFAOYSA-N -1 0 337.344 3.598 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)s1 ZINC000435077690 1024606242 /nfs/dbraw/zinc/60/62/42/1024606242.db2.gz DALKZLVTBRYVRD-DZGCQCFKSA-N -1 0 344.484 3.568 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)c2sccc2Cl)s[n-]1 ZINC000505603002 1024608089 /nfs/dbraw/zinc/60/80/89/1024608089.db2.gz AUQPCQNDCFNDGE-UHFFFAOYSA-N -1 0 341.870 3.964 20 0 EHADRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1noc2ccc(Cl)cc21 ZINC000427640512 1024615400 /nfs/dbraw/zinc/61/54/00/1024615400.db2.gz XNAHBKHIZGBSMD-UHFFFAOYSA-N -1 0 340.763 3.730 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000327270512 1024615765 /nfs/dbraw/zinc/61/57/65/1024615765.db2.gz XNFGLEQOMDGKDT-RMRDIRSESA-N -1 0 341.451 3.804 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)C[C@@H]1CCC[C@H](C)C1 ZINC000514683226 1024653641 /nfs/dbraw/zinc/65/36/41/1024653641.db2.gz ALIPKYLFDMBHMY-WCQYABFASA-N -1 0 328.416 3.641 20 0 EHADRM CCOc1c(Cl)cc(NC(=O)N(C)CCCC(=O)[O-])cc1Cl ZINC000417784569 1024666098 /nfs/dbraw/zinc/66/60/98/1024666098.db2.gz IMKBZOJBPGIBHL-UHFFFAOYSA-N -1 0 349.214 3.721 20 0 EHADRM O=S(=O)([N-]c1noc2ccc(Cl)cc21)c1ccc2c(c1)CCC2 ZINC000427649144 1024685977 /nfs/dbraw/zinc/68/59/77/1024685977.db2.gz VPBWTGFXYXZXLN-UHFFFAOYSA-N -1 0 348.811 3.771 20 0 EHADRM Cc1cccc(S([O-])=CC(=O)N[C@@H](c2ccccc2)C(C)C)c1 ZINC000108100680 1024748866 /nfs/dbraw/zinc/74/88/66/1024748866.db2.gz ZQMGAJXBCIKKKO-XXBNENTESA-N -1 0 329.465 3.616 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2nc3c(cccc3C)s2)cc1 ZINC000014229765 1024763780 /nfs/dbraw/zinc/76/37/80/1024763780.db2.gz CCUWTYIWXBQMBR-UHFFFAOYSA-N -1 0 332.450 3.968 20 0 EHADRM CC(C)(C)c1coc([N-]S(=O)(=O)c2csc3ccccc32)n1 ZINC000427779100 1024788418 /nfs/dbraw/zinc/78/84/18/1024788418.db2.gz CPLFUWAOLBBTDN-UHFFFAOYSA-N -1 0 336.438 3.988 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccccc2OCC(F)F)c1 ZINC000474388976 1024868928 /nfs/dbraw/zinc/86/89/28/1024868928.db2.gz GXYXERILNVVDKC-UHFFFAOYSA-N -1 0 345.342 3.579 20 0 EHADRM O=C([O-])CN(C(=O)N[C@@H]1CCSc2ccccc21)C1CCCCC1 ZINC000684711579 1024869701 /nfs/dbraw/zinc/86/97/01/1024869701.db2.gz NHEDXBBQFJHFER-OAHLLOKOSA-N -1 0 348.468 3.652 20 0 EHADRM Cc1cc(C)cc(C[C@@H](NCc2csc(C(C)(C)C)n2)C(=O)[O-])c1 ZINC000277386937 1024879880 /nfs/dbraw/zinc/87/98/80/1024879880.db2.gz RAYKCIGEFOPLLT-MRXNPFEDSA-N -1 0 346.496 3.843 20 0 EHADRM CCC1CCC(N(C(=O)Cc2ccccc2C(=O)[O-])C2CC2)CC1 ZINC000537479713 1033242895 /nfs/dbraw/zinc/24/28/95/1033242895.db2.gz OWUNIINCVBXTTP-UHFFFAOYSA-N -1 0 329.440 3.887 20 0 EHADRM COC(=O)c1cc(Nc2cc(C)cc(C(=O)[O-])c2)c(Cl)s1 ZINC001211537398 1024899630 /nfs/dbraw/zinc/89/96/30/1024899630.db2.gz ICHXTDWUCSBCKB-UHFFFAOYSA-N -1 0 325.773 3.938 20 0 EHADRM C[C@@H](NC(=O)N1CCCCC[C@H]1C(=O)[O-])c1cccc2ccccc21 ZINC000684714180 1024902953 /nfs/dbraw/zinc/90/29/53/1024902953.db2.gz UNOYGCVTYAXGBQ-KDOFPFPSSA-N -1 0 340.423 3.940 20 0 EHADRM O=S(=O)(NCC1CCCC1)c1c(Cl)cc(F)cc1Cl ZINC000435424398 1024912335 /nfs/dbraw/zinc/91/23/35/1024912335.db2.gz ZWXAPORIUMOVNC-UHFFFAOYSA-N -1 0 326.220 3.601 20 0 EHADRM Cc1c(COc2ccccc2)cccc1NC(=O)[C@H](C(=O)[O-])C(C)C ZINC000514942453 1024917399 /nfs/dbraw/zinc/91/73/99/1024917399.db2.gz ZZSHNTIJWXQLCQ-GOSISDBHSA-N -1 0 341.407 3.869 20 0 EHADRM CC[C@@H](NC(=O)N1CCCCC[C@@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000684718604 1024958889 /nfs/dbraw/zinc/95/88/89/1024958889.db2.gz ZFMHPGGUMGUZKJ-HUUCEWRRSA-N -1 0 338.835 3.830 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1csc([C@H]2CCCO2)n1 ZINC000157612330 1024960176 /nfs/dbraw/zinc/96/01/76/1024960176.db2.gz ZETISQDIBAMCCL-LLVKDONJSA-N -1 0 347.421 3.677 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1ccn(-c2ccccc2F)n1 ZINC000474438939 1024974041 /nfs/dbraw/zinc/97/40/41/1024974041.db2.gz YHVUEFFKPBZMGS-UHFFFAOYSA-N -1 0 349.724 3.762 20 0 EHADRM O=C([O-])CN(C(=O)NC1CCC(c2ccccc2)CC1)C1CCCC1 ZINC000684720132 1024981653 /nfs/dbraw/zinc/98/16/53/1024981653.db2.gz WQVUCJQFAUDUIU-UHFFFAOYSA-N -1 0 344.455 3.752 20 0 EHADRM O=C(C[C@@H]1CCc2sccc2C1=O)Nc1ccc(F)c(F)c1[O-] ZINC000897946163 1033256788 /nfs/dbraw/zinc/25/67/88/1033256788.db2.gz MWUNQLJCMUDKRE-QMMMGPOBSA-N -1 0 337.347 3.506 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000515312105 1025168130 /nfs/dbraw/zinc/16/81/30/1025168130.db2.gz CBAOLOGPVJXPHH-UHFFFAOYSA-N -1 0 349.434 3.716 20 0 EHADRM CC(C)CCc1cc(NC(=O)c2cccc(C(F)(F)F)c2[O-])n[nH]1 ZINC001143435046 1025185182 /nfs/dbraw/zinc/18/51/82/1025185182.db2.gz NZRYMZSWIYRZHV-UHFFFAOYSA-N -1 0 341.333 3.975 20 0 EHADRM CC(C)CC1(CNC(=O)N(CC(=O)[O-])[C@@H](C)c2ccccc2)CC1 ZINC000684742980 1025185504 /nfs/dbraw/zinc/18/55/04/1025185504.db2.gz YTUKJNSUWJAAPM-HNNXBMFYSA-N -1 0 332.444 3.670 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)Nc1ccc(OC2CCCC2)cc1)C1CC1 ZINC000684743598 1025190626 /nfs/dbraw/zinc/19/06/26/1025190626.db2.gz HSOYPLOBXGCSHJ-KRWDZBQOSA-N -1 0 346.427 3.868 20 0 EHADRM Cc1cc(Nc2nc(F)ccc2Br)cc(C(=O)[O-])c1 ZINC001211539477 1025210751 /nfs/dbraw/zinc/21/07/51/1025210751.db2.gz XEMKQSWCYZWUKH-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM Cc1ccccc1C1(CNC(=O)CC(C)(C)C(=O)[O-])CCCCC1 ZINC000582085632 1025213332 /nfs/dbraw/zinc/21/33/32/1025213332.db2.gz PBDFEJJEBVCOLB-UHFFFAOYSA-N -1 0 331.456 3.814 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc(C)c1Cl ZINC000442216948 1025215958 /nfs/dbraw/zinc/21/59/58/1025215958.db2.gz ICVFVQMMGUSDQB-UHFFFAOYSA-N -1 0 345.829 3.517 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)c2)oc1C ZINC000684747732 1025241857 /nfs/dbraw/zinc/24/18/57/1025241857.db2.gz VSUMSGSEMQSGCK-CQSZACIVSA-N -1 0 345.399 3.579 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)NC3(CC(=O)[O-])CC3)c(F)c2)cc1C ZINC000515489213 1025299150 /nfs/dbraw/zinc/29/91/50/1025299150.db2.gz CGJLBYPOEIXTAZ-UHFFFAOYSA-N -1 0 341.382 3.847 20 0 EHADRM CO[C@H](C)c1nc(C)c(C(=O)Nc2cc(F)cc(Cl)c2[O-])s1 ZINC000353884570 1025301329 /nfs/dbraw/zinc/30/13/29/1025301329.db2.gz ARKMKCGJYRNDHM-SSDOTTSWSA-N -1 0 344.795 3.909 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1cccc2c1OCCC2 ZINC000436027519 1025310024 /nfs/dbraw/zinc/31/00/24/1025310024.db2.gz MFXYGHUJTJVJDL-UHFFFAOYSA-N -1 0 335.450 3.534 20 0 EHADRM CC(C)Cc1n[n-]c(=NCc2cc(Cl)cc(C(F)(F)F)c2)o1 ZINC000436027606 1025310753 /nfs/dbraw/zinc/31/07/53/1025310753.db2.gz RKXZGZICRWGDJW-UHFFFAOYSA-N -1 0 333.741 3.974 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cc(Cl)ccc2C)cnn1CC(C)C ZINC000346477136 1025318892 /nfs/dbraw/zinc/31/88/92/1025318892.db2.gz JRTWLRXPASFMCG-UHFFFAOYSA-N -1 0 341.864 3.610 20 0 EHADRM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cc2[nH]ccc2cc1C ZINC000548686565 1025358514 /nfs/dbraw/zinc/35/85/14/1025358514.db2.gz UESJPXDWKGIUJV-UHFFFAOYSA-N -1 0 346.456 3.671 20 0 EHADRM COC(=O)c1cc(Br)c([O-])cc1O[C@@H]1CCCC[C@H]1F ZINC001227359245 1025366541 /nfs/dbraw/zinc/36/65/41/1025366541.db2.gz HDHDWQYEYLXXGK-ZYHUDNBSSA-N -1 0 347.180 3.601 20 0 EHADRM COc1cccc([C@H](C)NC(=O)CC2(C(=O)[O-])CCCCCC2)c1 ZINC000324374683 1025368273 /nfs/dbraw/zinc/36/82/73/1025368273.db2.gz LQNVDSLRUHXOPM-AWEZNQCLSA-N -1 0 333.428 3.688 20 0 EHADRM Cc1cc(C(=O)CCC(=O)Nc2ccc(C(=O)[O-])cc2)c(C)s1 ZINC000346989414 1025392087 /nfs/dbraw/zinc/39/20/87/1025392087.db2.gz WZNISJGRQWLDNU-UHFFFAOYSA-N -1 0 331.393 3.665 20 0 EHADRM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)N=c2[n-]nc(/C=C\c3ccco3)s2)C1 ZINC000474744415 1025412519 /nfs/dbraw/zinc/41/25/19/1025412519.db2.gz GXTXWTZRICNVTO-SYLYWLNWSA-N -1 0 346.456 3.622 20 0 EHADRM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000436163915 1025426593 /nfs/dbraw/zinc/42/65/93/1025426593.db2.gz SIEVTEVCTIFETQ-UHFFFAOYSA-N -1 0 337.404 3.825 20 0 EHADRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(CC)s1 ZINC000515633899 1025426618 /nfs/dbraw/zinc/42/66/18/1025426618.db2.gz HPUSMINIJSBCLM-UHFFFAOYSA-N -1 0 329.418 3.649 20 0 EHADRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2noc(C)c2C)c1 ZINC000451049550 1025469696 /nfs/dbraw/zinc/46/96/96/1025469696.db2.gz NJIUDYFXKDBTOA-UHFFFAOYSA-N -1 0 328.821 3.698 20 0 EHADRM C[C@@H](NC(=O)CC1(C(=O)[O-])CCC1)c1ccc(C(F)(F)F)cc1 ZINC000324388697 1025470108 /nfs/dbraw/zinc/47/01/08/1025470108.db2.gz MRBUNVDZHUWTDJ-SNVBAGLBSA-N -1 0 329.318 3.528 20 0 EHADRM COc1ccc(NC(=O)N(C)C2(C(=O)[O-])CCCCC2)cc1Cl ZINC000391821720 1025495566 /nfs/dbraw/zinc/49/55/66/1025495566.db2.gz ICTXQTPEXHNPCL-UHFFFAOYSA-N -1 0 340.807 3.600 20 0 EHADRM CCCc1ccccc1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442835245 1025524363 /nfs/dbraw/zinc/52/43/63/1025524363.db2.gz YEADDQZHPCKSQW-UHFFFAOYSA-N -1 0 344.358 3.854 20 0 EHADRM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000324627447 1025534406 /nfs/dbraw/zinc/53/44/06/1025534406.db2.gz PSKPQZIIGQLOEP-IAGOWNOFSA-N -1 0 329.440 3.610 20 0 EHADRM Cc1cscc1-c1noc(-c2nc[n-]c2C(=O)c2ccccc2)n1 ZINC000347136198 1025583228 /nfs/dbraw/zinc/58/32/28/1025583228.db2.gz KAAMGXIHAZHQEP-UHFFFAOYSA-N -1 0 336.376 3.728 20 0 EHADRM CSc1ccccc1[C@H](C)NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000521669433 1025586085 /nfs/dbraw/zinc/58/60/85/1025586085.db2.gz WWGWVOUYZZZSFZ-HSBZDZAISA-N -1 0 335.469 3.867 20 0 EHADRM Cc1ccc(C(=O)Nc2cc(Br)cc(Cl)c2[O-])o1 ZINC000342460422 1025627260 /nfs/dbraw/zinc/62/72/60/1025627260.db2.gz DQMHFVAUVVUHLW-UHFFFAOYSA-N -1 0 330.565 3.962 20 0 EHADRM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000347198235 1025637344 /nfs/dbraw/zinc/63/73/44/1025637344.db2.gz VNXBWRDFOFMLKF-QMMMGPOBSA-N -1 0 341.251 3.613 20 0 EHADRM CCCc1nc(=NC(=O)N2CCCCC[C@H]2c2ccc(C)o2)s[n-]1 ZINC000582269478 1025720708 /nfs/dbraw/zinc/72/07/08/1025720708.db2.gz IDXFEPYFGMGLJC-ZDUSSCGKSA-N -1 0 348.472 3.963 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000261601447 1025739192 /nfs/dbraw/zinc/73/91/92/1025739192.db2.gz BKQLVAGKPARMCQ-GOSISDBHSA-N -1 0 349.814 3.968 20 0 EHADRM CCCC[C@H](NC(=O)CCOc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000347256909 1025748479 /nfs/dbraw/zinc/74/84/79/1025748479.db2.gz HHDYOLGCXITPJB-NSHDSACASA-N -1 0 348.226 3.522 20 0 EHADRM Cc1c(F)cccc1[N-]S(=O)(=O)c1cnc2ccc(F)cc2c1 ZINC000436478347 1025753814 /nfs/dbraw/zinc/75/38/14/1025753814.db2.gz PRFWJVMPWDBANK-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM Cc1cc(F)ccc1[N-]S(=O)(=O)c1cnc2ccc(F)cc2c1 ZINC000436479888 1025756664 /nfs/dbraw/zinc/75/66/64/1025756664.db2.gz UEPIPAOBTZQPNR-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM C[C@H](N=c1nc(C(C)(C)C)o[n-]1)c1ccc(Br)s1 ZINC000436469399 1025761918 /nfs/dbraw/zinc/76/19/18/1025761918.db2.gz OZZIQAMUHIPMNH-ZETCQYMHSA-N -1 0 330.251 3.786 20 0 EHADRM CCCC[C@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000347264265 1025780211 /nfs/dbraw/zinc/78/02/11/1025780211.db2.gz SHLCYPBVTQFJOB-KOLCDFICSA-N -1 0 348.226 3.520 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CC(c2nc3ccccc3s2)C1 ZINC000436525840 1025828763 /nfs/dbraw/zinc/82/87/63/1025828763.db2.gz PBDPKEGMACLXEL-UHFFFAOYSA-N -1 0 346.358 3.520 20 0 EHADRM CCC[C@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CCO1 ZINC000436531837 1025838455 /nfs/dbraw/zinc/83/84/55/1025838455.db2.gz HXGMUBDJKUUNEI-LBPRGKRZSA-N -1 0 333.815 3.840 20 0 EHADRM Cc1ncc(NC(=O)c2cc(Cl)cc(Br)c2[O-])s1 ZINC000436517330 1025849895 /nfs/dbraw/zinc/84/98/95/1025849895.db2.gz XDYRYLLAUFNVEN-UHFFFAOYSA-N -1 0 347.621 3.825 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCC[C@@H]2COCC[C@@H]21 ZINC000436577115 1025878482 /nfs/dbraw/zinc/87/84/82/1025878482.db2.gz RIDFEQKAWKKXQS-PXAZEXFGSA-N -1 0 345.826 3.840 20 0 EHADRM O=S(=O)([O-])c1ccc(Cl)c(Nc2cc(Cl)ccc2O)c1 ZINC001216402782 1025887440 /nfs/dbraw/zinc/88/74/40/1025887440.db2.gz HVUUUUVOGZVPSZ-UHFFFAOYSA-N -1 0 334.180 3.689 20 0 EHADRM C[C@H](NC(=O)N=c1[n-]nc(C(C)(C)C)s1)c1ccccc1Cl ZINC000436563629 1025891271 /nfs/dbraw/zinc/89/12/71/1025891271.db2.gz HYKHFTVHGDMJQS-VIFPVBQESA-N -1 0 338.864 3.794 20 0 EHADRM CCOc1ccc(NC(=O)CC2(CC(=O)[O-])CCCC2)cc1OCC ZINC000326884905 1025895344 /nfs/dbraw/zinc/89/53/44/1025895344.db2.gz DESPTVLIFAZACZ-UHFFFAOYSA-N -1 0 349.427 3.848 20 0 EHADRM Cc1ncsc1NC(=O)c1cc(OCc2ccccc2)ccc1O ZINC000436588311 1025927783 /nfs/dbraw/zinc/92/77/83/1025927783.db2.gz SLFOAXYGJLBLQA-UHFFFAOYSA-N -1 0 340.404 3.988 20 0 EHADRM COCCc1ccnc(NC(=O)c2c([O-])cc(Cl)cc2Cl)c1 ZINC000436602003 1025934009 /nfs/dbraw/zinc/93/40/09/1025934009.db2.gz JILQSLJEPOOBHN-UHFFFAOYSA-N -1 0 341.194 3.535 20 0 EHADRM CN(C)c1cccc(CN(C)C(=O)c2cc3ccccc3cc2O)c1 ZINC000436604030 1025935926 /nfs/dbraw/zinc/93/59/26/1025935926.db2.gz NNEGUXAUCNKQSW-UHFFFAOYSA-N -1 0 334.419 3.884 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N(CC2CC2)C2CCCCC2)s1 ZINC000522073617 1025942305 /nfs/dbraw/zinc/94/23/05/1025942305.db2.gz SONCQKQLZIZRQA-UHFFFAOYSA-N -1 0 340.518 3.649 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)N[C@H]2CCC[C@H]2c2ccccc2)s1 ZINC000522087804 1025947222 /nfs/dbraw/zinc/94/72/22/1025947222.db2.gz VUYIGFQHGBCZGM-KBPBESRZSA-N -1 0 344.484 3.715 20 0 EHADRM CCC[C@@]1(COC)CCCN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436634808 1025965034 /nfs/dbraw/zinc/96/50/34/1025965034.db2.gz LUSBJQKDBKORHH-INIZCTEOSA-N -1 0 329.799 3.606 20 0 EHADRM CC(C)c1nc(CCNC(=O)c2cc(F)cc(Cl)c2[O-])cs1 ZINC000436636443 1025967232 /nfs/dbraw/zinc/96/72/32/1025967232.db2.gz YHEFPXHXFUZBCC-UHFFFAOYSA-N -1 0 342.823 3.737 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H](C)Cc2cccc(F)c2)c1 ZINC000436649173 1025975318 /nfs/dbraw/zinc/97/53/18/1025975318.db2.gz WFBZUAJBSINMOX-GFCCVEGCSA-N -1 0 329.371 3.941 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(C)n([C@@H](C)C3CC3)n2)c1 ZINC000436651973 1025976608 /nfs/dbraw/zinc/97/66/08/1025976608.db2.gz JJJCJCZCZDMFOV-LBPRGKRZSA-N -1 0 341.411 3.713 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc3cc(OC)ccc3[nH]2)c1 ZINC000436654010 1025979501 /nfs/dbraw/zinc/97/95/01/1025979501.db2.gz VZPYJWTURCKGBV-UHFFFAOYSA-N -1 0 338.363 3.727 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cnn(-c3ccccc3C)c2)c1 ZINC000436652628 1025979743 /nfs/dbraw/zinc/97/97/43/1025979743.db2.gz PBIZAVDRTZIAOY-UHFFFAOYSA-N -1 0 349.390 3.731 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)c1C ZINC000443396335 1025993735 /nfs/dbraw/zinc/99/37/35/1025993735.db2.gz AGYWCVXERABPHG-UHFFFAOYSA-N -1 0 331.437 3.818 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2coc(C3CCCC3)n2)c1 ZINC000436645826 1025994382 /nfs/dbraw/zinc/99/43/82/1025994382.db2.gz MWJULBXEVVWNKJ-UHFFFAOYSA-N -1 0 328.368 3.883 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2coc3ccc(OC)cc23)c1 ZINC000436647918 1025996315 /nfs/dbraw/zinc/99/63/15/1025996315.db2.gz RVZDUHMFSTUFPA-UHFFFAOYSA-N -1 0 339.347 3.992 20 0 EHADRM CC(C)c1ccc(C(=O)N2CCO[C@H](c3ccccc3)C2)c(O)c1 ZINC000436662175 1026001758 /nfs/dbraw/zinc/00/17/58/1026001758.db2.gz FSDCZQKUKJJYGT-IBGZPJMESA-N -1 0 325.408 3.729 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)N1CC2(CCCC2)c2ccccc21)C1CCC1 ZINC000665324195 1026012185 /nfs/dbraw/zinc/01/21/85/1026012185.db2.gz NLIKQXFBDRESIR-HNNXBMFYSA-N -1 0 342.439 3.529 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NC[C@@H](C(=O)[O-])C2CCC2)o1 ZINC000665324519 1026026444 /nfs/dbraw/zinc/02/64/44/1026026444.db2.gz UCAKOZOIMNYLJW-MAZHCROVSA-N -1 0 348.443 3.572 20 0 EHADRM CCc1ccc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)cc1F ZINC000443418213 1026029845 /nfs/dbraw/zinc/02/98/45/1026029845.db2.gz NFRQEBVZFDHIPC-LJQANCHMSA-N -1 0 329.371 3.759 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2c[nH]cc2-c2ccc(F)cc2)c1 ZINC000436681136 1026031629 /nfs/dbraw/zinc/03/16/29/1026031629.db2.gz PUZGKXUNXPLMCE-UHFFFAOYSA-N -1 0 338.338 3.981 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CCc2cn(C)c3ccccc23)c1 ZINC000436681548 1026033025 /nfs/dbraw/zinc/03/30/25/1026033025.db2.gz RNPQOMCTVOOJJI-UHFFFAOYSA-N -1 0 336.391 3.658 20 0 EHADRM C[C@@H]1CC(CCNC(=O)c2cc(F)c([O-])c(Cl)c2)C[C@@H](C)O1 ZINC000436706275 1026070328 /nfs/dbraw/zinc/07/03/28/1026070328.db2.gz CDHKZSISGMHVLC-NXEZZACHSA-N -1 0 329.799 3.508 20 0 EHADRM CC[C@]1(C)COCCN1C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436710346 1026078205 /nfs/dbraw/zinc/07/82/05/1026078205.db2.gz SKVKCZXITXKDIL-GOSISDBHSA-N -1 0 333.815 3.840 20 0 EHADRM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)c1ccc([O-])c(Cl)c1 ZINC000436727289 1026117557 /nfs/dbraw/zinc/11/75/57/1026117557.db2.gz YMTPFRXGTHIFCE-GJZGRUSLSA-N -1 0 325.836 3.711 20 0 EHADRM Cn1ccc2ccc(NC(=O)c3ccc4ccccc4c3O)cc2c1=O ZINC000436730806 1026120354 /nfs/dbraw/zinc/12/03/54/1026120354.db2.gz MTCUKAFFJZBWAC-UHFFFAOYSA-N -1 0 344.370 3.650 20 0 EHADRM O=C(N[C@H](c1ccccc1)[C@H]1CCOC1)c1ccc(Cl)cc1O ZINC000436751658 1026139065 /nfs/dbraw/zinc/13/90/65/1026139065.db2.gz UJKIZTXPRKFWMD-SUMWQHHRSA-N -1 0 331.799 3.553 20 0 EHADRM CCC(CC)(NC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000342531975 1026140676 /nfs/dbraw/zinc/14/06/76/1026140676.db2.gz UPUZUDBEQKXRBN-RYUDHWBXSA-N -1 0 343.345 3.569 20 0 EHADRM O=C(Nc1ccc2[nH]ccc2c1)c1ccc(Br)cc1[O-] ZINC000436754321 1026143900 /nfs/dbraw/zinc/14/39/00/1026143900.db2.gz IOBZMXIUGOMJLK-UHFFFAOYSA-N -1 0 331.169 3.888 20 0 EHADRM C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(SCc2ccccc2)cc1 ZINC000342538917 1026182864 /nfs/dbraw/zinc/18/28/64/1026182864.db2.gz CBBDBNBRFLTPBD-ZDUSSCGKSA-N -1 0 329.421 3.524 20 0 EHADRM O=C([O-])CN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000347358073 1026239266 /nfs/dbraw/zinc/23/92/66/1026239266.db2.gz FKCFIMUFUGAGKW-JKSUJKDBSA-N -1 0 343.810 3.557 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Br ZINC000128293828 1026250003 /nfs/dbraw/zinc/25/00/03/1026250003.db2.gz AYEKUZJTOZUGDC-DTWKUNHWSA-N -1 0 346.608 3.542 20 0 EHADRM CO[C@H](CNC(=O)c1ccc(C(F)(F)F)c(O)c1)c1ccccc1 ZINC000684874585 1026275424 /nfs/dbraw/zinc/27/54/24/1026275424.db2.gz RCGCAPPEHFMJOB-OAHLLOKOSA-N -1 0 339.313 3.529 20 0 EHADRM CCOc1ccccc1[N-]S(=O)(=O)c1cccc2ccc(C)nc21 ZINC000530770688 1026278972 /nfs/dbraw/zinc/27/89/72/1026278972.db2.gz WRFILSDRCAJDBA-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM Cc1ccc2c(c1)CCN2C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000091257626 1026293919 /nfs/dbraw/zinc/29/39/19/1026293919.db2.gz FLXPYLHRSSGRKV-UHFFFAOYSA-N -1 0 337.404 3.509 20 0 EHADRM CCn1cnc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2C)c1 ZINC000530994660 1026457840 /nfs/dbraw/zinc/45/78/40/1026457840.db2.gz SRHWAQPZHGAYMF-UHFFFAOYSA-N -1 0 341.436 3.679 20 0 EHADRM CC(C)(CNC(=O)CC1(C(=O)[O-])CCC1)Cc1cccc(Cl)c1 ZINC000262473959 1026507240 /nfs/dbraw/zinc/50/72/40/1026507240.db2.gz HBVOZZXGKCYKED-UHFFFAOYSA-N -1 0 337.847 3.670 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)c1ccc(OC2CCC2)cc1Cl)C(=O)[O-] ZINC000431439546 1026510990 /nfs/dbraw/zinc/51/09/90/1026510990.db2.gz DAYODOYWNSIRJH-MEBBXXQBSA-N -1 0 339.819 3.500 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)c1ccc(OC2CCC2)cc1Cl)C(=O)[O-] ZINC000431439544 1026511296 /nfs/dbraw/zinc/51/12/96/1026511296.db2.gz DAYODOYWNSIRJH-BMIGLBTASA-N -1 0 339.819 3.500 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)C[C@H](C)Cc1ccc(Cl)cc1 ZINC000431438161 1026516002 /nfs/dbraw/zinc/51/60/02/1026516002.db2.gz HMHRFJIYGBQNCR-CQSZACIVSA-N -1 0 339.863 3.868 20 0 EHADRM C[C@@H](NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC000325023170 1026524310 /nfs/dbraw/zinc/52/43/10/1026524310.db2.gz GOVYSONWFOOKLN-BFUOFWGJSA-N -1 0 345.826 3.950 20 0 EHADRM O=C(c1cc(Br)cc(Cl)c1[O-])N1CCCC2(CC2)C1 ZINC000184513002 1026712880 /nfs/dbraw/zinc/71/28/80/1026712880.db2.gz HNGYFRSUJFVYSH-UHFFFAOYSA-N -1 0 344.636 3.824 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)c1cc(F)c(Cl)cc1Cl)C(=O)[O-] ZINC000400463256 1026889842 /nfs/dbraw/zinc/88/98/42/1026889842.db2.gz UCCGCVMGFUFSIP-MADCSZMMSA-N -1 0 336.190 3.752 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cccc(C)c2Cl)cnn1CC(C)C ZINC000342781698 1027024835 /nfs/dbraw/zinc/02/48/35/1027024835.db2.gz MXHZYFINEOUCED-UHFFFAOYSA-N -1 0 341.864 3.610 20 0 EHADRM Cc1cc(=NC(=O)N([C@H](C)c2ccc(Cl)cc2)C2CC2)[n-]nc1C ZINC000531563500 1027049014 /nfs/dbraw/zinc/04/90/14/1027049014.db2.gz ZAAUCSLUUCMRIL-CYBMUJFWSA-N -1 0 344.846 3.926 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCOC2(CCC2)C1 ZINC000897283630 1027086997 /nfs/dbraw/zinc/08/69/97/1027086997.db2.gz HABINKAHJYJYMA-VIFPVBQESA-N -1 0 330.211 3.987 20 0 EHADRM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000074928130 1027088092 /nfs/dbraw/zinc/08/80/92/1027088092.db2.gz JHVBRFHHHIWJHS-UHFFFAOYSA-N -1 0 335.425 3.592 20 0 EHADRM CC(C)(C)c1nnc(NC(=O)c2csc(-c3ccccn3)n2)s1 ZINC000149920235 1027167487 /nfs/dbraw/zinc/16/74/87/1027167487.db2.gz LIHSZDLXPHTWAQ-UHFFFAOYSA-N -1 0 345.453 3.606 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N[C@H](CC(=O)[O-])c3ccc(F)cc3)cc2c1 ZINC000531740600 1027262435 /nfs/dbraw/zinc/26/24/35/1027262435.db2.gz BYVQRYDPDXJELB-MRXNPFEDSA-N -1 0 340.354 3.561 20 0 EHADRM Cc1n[nH]c(C)c1[C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000273187804 1027303951 /nfs/dbraw/zinc/30/39/51/1027303951.db2.gz GFNJMHQZUBFVIR-LURJTMIESA-N -1 0 328.199 3.781 20 0 EHADRM CC(C)(CC(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)C1CCCCC1 ZINC000475530437 1027569874 /nfs/dbraw/zinc/56/98/74/1027569874.db2.gz UUIOEJFQCYEHRV-UHFFFAOYSA-N -1 0 343.427 3.965 20 0 EHADRM c1ccc([C@H]2C[C@H](N=c3nc(C4CCCC4)[n-]s3)CCO2)cc1 ZINC000420608242 1027642660 /nfs/dbraw/zinc/64/26/60/1027642660.db2.gz CUWKUCGQQAIXLE-HZPDHXFCSA-N -1 0 329.469 3.950 20 0 EHADRM Cn1cc(-c2cccc(CN=c3nc(C4CCCC4)[n-]s3)c2)cn1 ZINC000420609712 1027643352 /nfs/dbraw/zinc/64/33/52/1027643352.db2.gz KTNGWBYRFFVUGB-UHFFFAOYSA-N -1 0 339.468 3.630 20 0 EHADRM O=C([O-])C1(CC(=O)NC[C@@H]2CSc3ccccc32)CCCCCC1 ZINC000582772620 1027643727 /nfs/dbraw/zinc/64/37/27/1027643727.db2.gz RIEJMZCIUVIZIR-CQSZACIVSA-N -1 0 347.480 3.807 20 0 EHADRM CC[C@H](NC(=O)N[C@@H](CC(C)C)C(=O)[O-])c1cccc(Cl)c1 ZINC000557778537 1027805578 /nfs/dbraw/zinc/80/55/78/1027805578.db2.gz MKFIFPVVICPNIL-KBPBESRZSA-N -1 0 326.824 3.590 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cccc(OC3CCCCC3)c2)C1 ZINC000422584160 1027810917 /nfs/dbraw/zinc/81/09/17/1027810917.db2.gz DUELNWZWJNYMBJ-GDBMZVCRSA-N -1 0 345.439 3.581 20 0 EHADRM Cc1cnc(Nc2cc(Cl)cc(C(=O)[O-])c2)c(Br)n1 ZINC001211958443 1028170345 /nfs/dbraw/zinc/17/03/45/1028170345.db2.gz RAPCFKWKRXLZMU-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM COC(=O)c1cc(Nc2cc(Cl)cc(C(=O)[O-])c2)cnc1Cl ZINC001211962420 1028213791 /nfs/dbraw/zinc/21/37/91/1028213791.db2.gz DAIQJJOFQYSAQA-UHFFFAOYSA-N -1 0 341.150 3.617 20 0 EHADRM Cc1cc(F)cc2c(O)c(C(=O)Nc3ccc4ccoc4c3)cnc12 ZINC000342932235 1028223073 /nfs/dbraw/zinc/22/30/73/1028223073.db2.gz YNRQKKUQNCGHKJ-UHFFFAOYSA-N -1 0 336.322 3.974 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccnc2Nc2ccc(C)cc2)o1 ZINC000502442127 1028229155 /nfs/dbraw/zinc/22/91/55/1028229155.db2.gz PANUJCNIIUGXKD-UHFFFAOYSA-N -1 0 343.408 3.836 20 0 EHADRM CC(C)NC(=O)c1cccc(Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC001211965182 1028271548 /nfs/dbraw/zinc/27/15/48/1028271548.db2.gz SKHJBSHURMWRCE-UHFFFAOYSA-N -1 0 332.787 3.920 20 0 EHADRM COC(=O)c1ccc(Nc2cc(Cl)cc(C(=O)[O-])c2)c(OC)c1 ZINC001211965089 1028271633 /nfs/dbraw/zinc/27/16/33/1028271633.db2.gz NPRZXIDOEAEBBT-UHFFFAOYSA-N -1 0 335.743 3.577 20 0 EHADRM O=C(N=c1[n-]nc(Cc2cccc(F)c2)s1)NC1CCCCCC1 ZINC000504190589 1028490125 /nfs/dbraw/zinc/49/01/25/1028490125.db2.gz NKWWFMLBDUXEEX-UHFFFAOYSA-N -1 0 348.447 3.534 20 0 EHADRM CCCc1n[n-]c(=NC(=O)Nc2cc(C)c(Cl)cc2OC)s1 ZINC000502673387 1028515185 /nfs/dbraw/zinc/51/51/85/1028515185.db2.gz ZTDATSCRYDUYSI-UHFFFAOYSA-N -1 0 340.836 3.527 20 0 EHADRM CC(C)C[C@H](NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000236595055 1028552366 /nfs/dbraw/zinc/55/23/66/1028552366.db2.gz WWWSJQIGCUYMKP-RISCZKNCSA-N -1 0 345.361 3.815 20 0 EHADRM CO[C@@H](C)c1nc(=Nc2cnn(-c3cc(C)ccc3C)c2C)s[n-]1 ZINC000509540757 1028588870 /nfs/dbraw/zinc/58/88/70/1028588870.db2.gz ISNSLLRZHBMETA-ZDUSSCGKSA-N -1 0 343.456 3.522 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC000431517410 1028612273 /nfs/dbraw/zinc/61/22/73/1028612273.db2.gz GDODEXRAALXYTP-ZDUSSCGKSA-N -1 0 339.391 3.840 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)CCCc1cccs1)C(=O)[O-] ZINC000237394141 1028650603 /nfs/dbraw/zinc/65/06/03/1028650603.db2.gz XRXAIQBSVPQGID-OAHLLOKOSA-N -1 0 345.464 3.820 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000237533630 1028653025 /nfs/dbraw/zinc/65/30/25/1028653025.db2.gz SLIWVZYPHQZEIZ-NSHDSACASA-N -1 0 349.333 3.740 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1cc2c(s1)CCCC2 ZINC000237612030 1028658216 /nfs/dbraw/zinc/65/82/16/1028658216.db2.gz VVAGZTFIKDUBJM-OAHLLOKOSA-N -1 0 343.448 3.881 20 0 EHADRM CCn1c2cc(F)ccc2nc1-c1ccc(OCCC(=O)[O-])cc1 ZINC000502771907 1028660166 /nfs/dbraw/zinc/66/01/66/1028660166.db2.gz COLVGVJDSUWSLZ-UHFFFAOYSA-N -1 0 328.343 3.716 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cccc(Cl)c2)Cc2ccccc2C1 ZINC000237917769 1028669875 /nfs/dbraw/zinc/66/98/75/1028669875.db2.gz AXMBVHZYWNHIDI-UHFFFAOYSA-N -1 0 329.783 3.538 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)CCn2ccc3ccccc32)c1 ZINC000238144971 1028679078 /nfs/dbraw/zinc/67/90/78/1028679078.db2.gz PHFKCVFQUICCAR-UHFFFAOYSA-N -1 0 326.327 3.507 20 0 EHADRM O=C([O-])CN(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1 ZINC000238144602 1028679577 /nfs/dbraw/zinc/67/95/77/1028679577.db2.gz XHHYGYZYJIOCRE-UHFFFAOYSA-N -1 0 349.839 3.546 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)NCC1(C(F)(F)F)CC1)C1CCCCC1 ZINC000504483566 1028685297 /nfs/dbraw/zinc/68/52/97/1028685297.db2.gz XTGNVZBFDNMFBP-CQSZACIVSA-N -1 0 335.366 3.506 20 0 EHADRM CC(C)[C@H](CNC(=O)CC(C)(C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000504489751 1028688048 /nfs/dbraw/zinc/68/80/48/1028688048.db2.gz ROOPNXAGWYRNFU-AWEZNQCLSA-N -1 0 325.836 3.697 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N=c3[n-]nc(-c4ccccc4)s3)cc2c1C ZINC000523893731 1028689813 /nfs/dbraw/zinc/68/98/13/1028689813.db2.gz WZVKSCCZLSTYKR-UHFFFAOYSA-N -1 0 348.431 3.977 20 0 EHADRM Cc1cccc(NC(=O)Cc2noc(-c3ccc([O-])c(Cl)c3)n2)c1 ZINC000445327240 1028705710 /nfs/dbraw/zinc/70/57/10/1028705710.db2.gz DYGIYZZLUZUHOL-UHFFFAOYSA-N -1 0 343.770 3.585 20 0 EHADRM COc1cc(/C=C/C(=O)c2cc(C)ccc2C)ccc1OCC(=O)[O-] ZINC000023165261 1028750386 /nfs/dbraw/zinc/75/03/86/1028750386.db2.gz DHRVQZXLRQMWOZ-SOFGYWHQSA-N -1 0 340.375 3.672 20 0 EHADRM Cc1cc(CN=c2[n-]nc(Cc3ccccc3F)o2)ccc1Cl ZINC000502853119 1028755412 /nfs/dbraw/zinc/75/54/12/1028755412.db2.gz RBXZFKLNZDSELU-UHFFFAOYSA-N -1 0 331.778 3.795 20 0 EHADRM CC(C)c1ncsc1[N-]S(=O)(=O)CCc1ccc(Cl)cc1 ZINC000424061255 1028781770 /nfs/dbraw/zinc/78/17/70/1028781770.db2.gz FEPYOSQGDHFFSJ-UHFFFAOYSA-N -1 0 344.889 3.904 20 0 EHADRM Oc1ccc(-c2noc(CCc3nc4ccccc4[nH]3)n2)c(Cl)c1 ZINC000445444854 1028799893 /nfs/dbraw/zinc/79/98/93/1028799893.db2.gz HHBSZKFNEFXSPI-UHFFFAOYSA-N -1 0 340.770 3.757 20 0 EHADRM O=S(=O)(CCC1CCCCC1)[N-]CC(F)(F)c1ccccc1 ZINC001212042500 1028814864 /nfs/dbraw/zinc/81/48/64/1028814864.db2.gz KBZCEXRGNCEKLC-UHFFFAOYSA-N -1 0 331.428 3.668 20 0 EHADRM CSCc1cccc(CNC(=O)CC2(C(=O)[O-])CCCCCC2)c1 ZINC000445486031 1028849105 /nfs/dbraw/zinc/84/91/05/1028849105.db2.gz HODGSUUHDGTZOI-UHFFFAOYSA-N -1 0 349.496 3.981 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC000424251172 1028911120 /nfs/dbraw/zinc/91/11/20/1028911120.db2.gz CDUNNPXKBAELEA-HNNXBMFYSA-N -1 0 346.471 3.642 20 0 EHADRM C[C@H]1CCCN(Cc2csc(CCc3ccccc3)n2)[C@@H]1C(=O)[O-] ZINC000424270442 1028941044 /nfs/dbraw/zinc/94/10/44/1028941044.db2.gz NLBKCKLKVVZVEN-KSSFIOAISA-N -1 0 344.480 3.613 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000421959819 1028968616 /nfs/dbraw/zinc/96/86/16/1028968616.db2.gz KFKVPQOPSYROGB-QMMMGPOBSA-N -1 0 339.716 3.989 20 0 EHADRM O=C([O-])C1(CC(=O)NCC2(c3cccs3)CCCCC2)CCC1 ZINC000262566263 1028978716 /nfs/dbraw/zinc/97/87/16/1028978716.db2.gz YAECBKCLFKTJSH-UHFFFAOYSA-N -1 0 335.469 3.711 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CN(C(=O)NCCC(C)(C)C(=O)[O-])C2CC2)o1 ZINC000424397968 1029049335 /nfs/dbraw/zinc/04/93/35/1029049335.db2.gz LXHAVULQSKLQOE-SWLSCSKDSA-N -1 0 348.443 3.578 20 0 EHADRM CC(C)(C)[C@H]1CN(C(=O)NCCC(C)(C)C(=O)[O-])c2ccccc21 ZINC000424408471 1029053316 /nfs/dbraw/zinc/05/33/16/1029053316.db2.gz VJFJNGWUKVDTLY-AWEZNQCLSA-N -1 0 332.444 3.847 20 0 EHADRM Cc1cc(CN2CCC[C@@H](C)[C@@H]2C(=O)[O-])sc1Br ZINC000424413854 1029059296 /nfs/dbraw/zinc/05/92/96/1029059296.db2.gz GFTKSFFFRZPGGM-LDYMZIIASA-N -1 0 332.263 3.504 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)NCCCCCCCC(=O)[O-] ZINC000271951696 1029244323 /nfs/dbraw/zinc/24/43/23/1029244323.db2.gz JISAOEKXOLNNCJ-OAHLLOKOSA-N -1 0 335.444 3.730 20 0 EHADRM Cc1cc(=NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)[n-]nc1C ZINC000524508917 1029255212 /nfs/dbraw/zinc/25/52/12/1029255212.db2.gz YYMDITKOWCALGF-VXGBXAGGSA-N -1 0 336.222 3.564 20 0 EHADRM COc1ccc(CCCC(=O)NCCCCCCCC(=O)[O-])cc1 ZINC000271986978 1029259701 /nfs/dbraw/zinc/25/97/01/1029259701.db2.gz YBIZWMOTVWYCIN-UHFFFAOYSA-N -1 0 335.444 3.559 20 0 EHADRM C[C@@H]1CCc2c(C(=O)N3CCCC[C@@H]3CCC(=O)[O-])csc2C1 ZINC000237435706 1029265806 /nfs/dbraw/zinc/26/58/06/1029265806.db2.gz PZODCMNDLGGMMG-CHWSQXEVSA-N -1 0 335.469 3.732 20 0 EHADRM CCCc1c(C(=O)Nc2cc(C(C)=O)ccc2[O-])[nH]c(C)c1C(C)=O ZINC000272024448 1029276871 /nfs/dbraw/zinc/27/68/71/1029276871.db2.gz AFMIBGUWFXDREL-UHFFFAOYSA-N -1 0 342.395 3.639 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@@H]2SCCc3sccc32)c1 ZINC000272036430 1029284010 /nfs/dbraw/zinc/28/40/10/1029284010.db2.gz BWXVDLUDYFRDGT-OAHLLOKOSA-N -1 0 333.434 3.625 20 0 EHADRM Cc1ccc(NC(=O)N(CC(=O)[O-])CC(C)C)cc1C(F)(F)F ZINC000320717193 1029323953 /nfs/dbraw/zinc/32/39/53/1029323953.db2.gz LLGXYULVOMUVGJ-UHFFFAOYSA-N -1 0 332.322 3.588 20 0 EHADRM COC(=O)c1cc(C)ccc1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000446048319 1029342100 /nfs/dbraw/zinc/34/21/00/1029342100.db2.gz TTWOMLUWNDXWKK-UHFFFAOYSA-N -1 0 337.734 3.532 20 0 EHADRM CC(C)(C)C1CCC(CC(=O)NCc2nc(C(=O)[O-])cs2)CC1 ZINC000431526098 1029349558 /nfs/dbraw/zinc/34/95/58/1029349558.db2.gz RSSHIZYTSZTIPV-UHFFFAOYSA-N -1 0 338.473 3.700 20 0 EHADRM CCc1noc(C)c1[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000533168800 1029422788 /nfs/dbraw/zinc/42/27/88/1029422788.db2.gz MTSCXTMRNPMPPL-UHFFFAOYSA-N -1 0 349.239 3.961 20 0 EHADRM CCSc1cccc([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000505287092 1029441535 /nfs/dbraw/zinc/44/15/35/1029441535.db2.gz HTLWBVKTMFSKBP-UHFFFAOYSA-N -1 0 329.393 3.878 20 0 EHADRM CCc1oc(C(=O)N(Cc2ccccc2)[C@@H](C)CC)cc1C(=O)[O-] ZINC000261619085 1029475483 /nfs/dbraw/zinc/47/54/83/1029475483.db2.gz HKHQRQXLSCLYKV-ZDUSSCGKSA-N -1 0 329.396 3.981 20 0 EHADRM CCc1oc(C(=O)N2CCC(c3ccccc3C)CC2)cc1C(=O)[O-] ZINC000261737851 1029493675 /nfs/dbraw/zinc/49/36/75/1029493675.db2.gz ZEEVUXHWXCNUAD-UHFFFAOYSA-N -1 0 341.407 3.868 20 0 EHADRM O=C(CSCc1ccc(Cl)cc1)[N-]OCCC(F)(F)F ZINC000162822472 1029519647 /nfs/dbraw/zinc/51/96/47/1029519647.db2.gz GZYYMWQHOWEHNW-UHFFFAOYSA-N -1 0 327.755 3.573 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1ccc(OCC(F)(F)F)cn1 ZINC000434247911 1029530627 /nfs/dbraw/zinc/53/06/27/1029530627.db2.gz HEASOMZCUWWOOM-UHFFFAOYSA-N -1 0 346.692 3.634 20 0 EHADRM COc1cccc([C@H]2CCCN2C(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000262418888 1029591130 /nfs/dbraw/zinc/59/11/30/1029591130.db2.gz QERPUVCIFZMHPX-QGZVFWFLSA-N -1 0 343.354 3.510 20 0 EHADRM CC(C)C(C)(C)CNC(=O)N=c1[n-]nc(/C=C\c2ccco2)s1 ZINC000446339626 1029596281 /nfs/dbraw/zinc/59/62/81/1029596281.db2.gz FPXMASZGLWCXIA-FPLPWBNLSA-N -1 0 334.445 3.527 20 0 EHADRM CCc1n[n-]c(=NC(=O)N(CC2CCC2)[C@@H](C)c2ccccc2)s1 ZINC000524923159 1029622499 /nfs/dbraw/zinc/62/24/99/1029622499.db2.gz DYRWPPARTNUTQG-ZDUSSCGKSA-N -1 0 344.484 3.918 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)CC1CCC(C(F)(F)F)CC1 ZINC000262854385 1029645022 /nfs/dbraw/zinc/64/50/22/1029645022.db2.gz CKMDNRGHRBHTHD-RUXDESIVSA-N -1 0 349.393 3.991 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)CCCC2CCCC2)C[C@@H]1c1ccccc1 ZINC000262874699 1029648152 /nfs/dbraw/zinc/64/81/52/1029648152.db2.gz JZBVDBPDLYSCKK-QZTJIDSGSA-N -1 0 329.440 3.674 20 0 EHADRM CC(C)CC1(C(=O)N=c2nc(-c3cccnc3)[n-]s2)CCCC1 ZINC000533727305 1029649358 /nfs/dbraw/zinc/64/93/58/1029649358.db2.gz COBOJQNGABQVIF-UHFFFAOYSA-N -1 0 330.457 3.567 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)CC3(C(=O)[O-])CCC3)cn2)cc1 ZINC000262902016 1029650702 /nfs/dbraw/zinc/65/07/02/1029650702.db2.gz XUNDPSQPJJBFGF-UHFFFAOYSA-N -1 0 340.379 3.766 20 0 EHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)CSCc1ccc(Cl)cc1 ZINC000262979430 1029654328 /nfs/dbraw/zinc/65/43/28/1029654328.db2.gz NHYJFSVEVHBBEJ-MRXNPFEDSA-N -1 0 343.876 3.579 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)c1[nH]c2ccccc2c1Cl)C(=O)[O-] ZINC000262987139 1029654341 /nfs/dbraw/zinc/65/43/41/1029654341.db2.gz PWBLNMAABQLWER-GFCCVEGCSA-N -1 0 336.819 3.831 20 0 EHADRM CC(C)(CCNC(=O)C1(c2cccc(Cl)c2)CCCC1)C(=O)[O-] ZINC000263033053 1029659576 /nfs/dbraw/zinc/65/95/76/1029659576.db2.gz OROLYQLRXWHCND-UHFFFAOYSA-N -1 0 337.847 3.769 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)CCCCCc2cccs2)C1 ZINC000263098620 1029666131 /nfs/dbraw/zinc/66/61/31/1029666131.db2.gz VVXCVOSYQNQSCQ-GOSISDBHSA-N -1 0 337.485 3.810 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@H]2CCCc3ccccc32)cc1F ZINC000263119440 1029667711 /nfs/dbraw/zinc/66/77/11/1029667711.db2.gz FBSUMIYMYVNMTM-INIZCTEOSA-N -1 0 327.355 3.511 20 0 EHADRM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000263212903 1029674383 /nfs/dbraw/zinc/67/43/83/1029674383.db2.gz NSCVCAPAXQEOID-STQMWFEESA-N -1 0 333.384 3.565 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000263208553 1029674406 /nfs/dbraw/zinc/67/44/06/1029674406.db2.gz ZJIXCEPLGDSCOU-PWSUYJOCSA-N -1 0 344.238 3.638 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@H]1CCSc2ccccc21 ZINC000263207857 1029674750 /nfs/dbraw/zinc/67/47/50/1029674750.db2.gz WCOAITJQAYTXAM-ZFWWWQNUSA-N -1 0 333.453 3.512 20 0 EHADRM C[C@H](CCC(=O)NC[C@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC000263221893 1029675556 /nfs/dbraw/zinc/67/55/56/1029675556.db2.gz ZAEGKEVRNAZPNV-APWZRJJASA-N -1 0 339.435 3.630 20 0 EHADRM CCC[C@@H](CNC(=O)C[C@@H](C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000263251924 1029680184 /nfs/dbraw/zinc/68/01/84/1029680184.db2.gz VHLKZPJTXZPJGM-JSGCOSHPSA-N -1 0 325.836 3.526 20 0 EHADRM CCC[C@@H](CNC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000263284120 1029683918 /nfs/dbraw/zinc/68/39/18/1029683918.db2.gz ZBTJNWQCDZFAMF-YPMHNXCESA-N -1 0 345.361 3.501 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1cccc(Cl)c1Cl ZINC000263293021 1029684867 /nfs/dbraw/zinc/68/48/67/1029684867.db2.gz MMYJZTUGNBDIBX-AEJSXWLSSA-N -1 0 330.211 3.672 20 0 EHADRM CCC(CC)CC(=O)Nc1cccc(-n2ncc(C(=O)[O-])c2C)c1 ZINC000263348524 1029690607 /nfs/dbraw/zinc/69/06/07/1029690607.db2.gz AECDDMBBEKIJNO-UHFFFAOYSA-N -1 0 329.400 3.644 20 0 EHADRM CCCOc1cccc(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c1 ZINC000263359172 1029690707 /nfs/dbraw/zinc/69/07/07/1029690707.db2.gz XWZDEUPECLLLQH-CYBMUJFWSA-N -1 0 327.380 3.916 20 0 EHADRM COc1ccc(CCCCCC(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)cc1 ZINC000263380046 1029692796 /nfs/dbraw/zinc/69/27/96/1029692796.db2.gz XCKBHOALGBCHID-YJBOKZPZSA-N -1 0 347.455 3.510 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1cc(C(=O)[O-])ccn1)C1CC1 ZINC000263398332 1029695120 /nfs/dbraw/zinc/69/51/20/1029695120.db2.gz IEURRVNGOJJULG-NSHDSACASA-N -1 0 344.798 3.799 20 0 EHADRM CCc1c(C)sc(NC(=O)Cc2ccccc2OC)c1C(=O)[O-] ZINC000263452826 1029699086 /nfs/dbraw/zinc/69/90/86/1029699086.db2.gz ONALCLOVURBKBJ-UHFFFAOYSA-N -1 0 333.409 3.507 20 0 EHADRM CO[C@H](C)c1nc(=NC(=O)C2=C(c3ccccc3)CCCC2)s[n-]1 ZINC000583367772 1029717854 /nfs/dbraw/zinc/71/78/54/1029717854.db2.gz OYMDENZJUFTADL-GFCCVEGCSA-N -1 0 343.452 3.634 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2[nH]c3ccc(F)cc3c2Cl)c1 ZINC000347400186 1029727918 /nfs/dbraw/zinc/72/79/18/1029727918.db2.gz GSFYMBQDNZBXHB-UHFFFAOYSA-N -1 0 332.718 3.911 20 0 EHADRM CC(C)c1cnc([N-]S(=O)(=O)Cc2ccccc2Cl)s1 ZINC000446823540 1029809358 /nfs/dbraw/zinc/80/93/58/1029809358.db2.gz NJSWHURRRXHDQW-UHFFFAOYSA-N -1 0 330.862 3.862 20 0 EHADRM Cc1ccc2[nH]c([N-]S(=O)(=O)c3ccc(C)c(Cl)c3)nc2c1 ZINC000427627217 1029827478 /nfs/dbraw/zinc/82/74/78/1029827478.db2.gz YIHBGHQSQANVJP-UHFFFAOYSA-N -1 0 335.816 3.634 20 0 EHADRM Cc1nc([C@H]2CCCN2c2cc(C(C)(C)C)nc(C(=O)[O-])n2)cs1 ZINC000565036336 1029855692 /nfs/dbraw/zinc/85/56/92/1029855692.db2.gz SVOVGKMYLJIRQJ-GFCCVEGCSA-N -1 0 346.456 3.579 20 0 EHADRM CCCCCc1n[n-]c(=NCc2cnc(C(F)(F)F)s2)s1 ZINC000446968283 1029867971 /nfs/dbraw/zinc/86/79/71/1029867971.db2.gz WSBBNMWHPMKKQR-UHFFFAOYSA-N -1 0 336.408 3.780 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cc(F)c(OC(F)F)cc2F)CCCC1 ZINC000447127015 1029964555 /nfs/dbraw/zinc/96/45/55/1029964555.db2.gz AYBVESIKRIZQIE-UHFFFAOYSA-N -1 0 349.280 3.540 20 0 EHADRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)c(C)c1 ZINC000447254219 1030045988 /nfs/dbraw/zinc/04/59/88/1030045988.db2.gz BAVRUWGBWDNZJA-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CCC(=O)Nc1ccc(NC(=O)c2cc(F)cc(Cl)c2[O-])cc1 ZINC000120565664 1030066112 /nfs/dbraw/zinc/06/61/12/1030066112.db2.gz ICGHPGKHVCECHC-UHFFFAOYSA-N -1 0 336.750 3.786 20 0 EHADRM CCSc1n[n-]c(=NC(=O)NCc2ccc3ccccc3c2)s1 ZINC000525738588 1030066990 /nfs/dbraw/zinc/06/69/90/1030066990.db2.gz QWEXGQZVACINOZ-UHFFFAOYSA-N -1 0 344.465 3.547 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ncc(-c3ccccc3)cn2)c(C)c1 ZINC000481874659 1030083248 /nfs/dbraw/zinc/08/32/48/1030083248.db2.gz MLXUEQFHTYCTJK-UHFFFAOYSA-N -1 0 339.420 3.561 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N3CC[C@H](C)[C@H]3C)s2)c1 ZINC000481944250 1030124749 /nfs/dbraw/zinc/12/47/49/1030124749.db2.gz KBHYESXVRYPDJG-QWHCGFSZSA-N -1 0 330.457 3.506 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2cc(C)c(F)cc2Cl)C1 ZINC000323630095 1030132210 /nfs/dbraw/zinc/13/22/10/1030132210.db2.gz PFCNIVJTDYQYJO-INIZCTEOSA-N -1 0 342.798 3.896 20 0 EHADRM CC[C@@H](N=c1nc(C(F)(F)F)[n-]s1)c1ccc(OC)c(OC)c1 ZINC000343293127 1030134404 /nfs/dbraw/zinc/13/44/04/1030134404.db2.gz UVBGXQHHVGZKHB-SECBINFHSA-N -1 0 347.362 3.559 20 0 EHADRM O=C(NCCCC1CC1)c1cc(Br)cc(Cl)c1[O-] ZINC000525823374 1030146777 /nfs/dbraw/zinc/14/67/77/1030146777.db2.gz AVMWPEPQJZAKPO-UHFFFAOYSA-N -1 0 332.625 3.728 20 0 EHADRM CCC1(C)CCN(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])CC1 ZINC000447446998 1030199217 /nfs/dbraw/zinc/19/92/17/1030199217.db2.gz ISKJBAOIPMSKQH-UHFFFAOYSA-N -1 0 347.846 3.884 20 0 EHADRM FC(F)(F)COc1cccc(CN=c2[n-]nc(-c3ccccc3)o2)c1 ZINC000508600432 1030223361 /nfs/dbraw/zinc/22/33/61/1030223361.db2.gz WWIJPLKRMNLYBF-UHFFFAOYSA-N -1 0 349.312 3.712 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)CC2(CCc3ccccc3)CCCC2)C1 ZINC000532008959 1030229966 /nfs/dbraw/zinc/22/99/66/1030229966.db2.gz CESDJJVVRTWWBX-HXUWFJFHSA-N -1 0 343.467 3.893 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N(C)[C@H]2CCC(C)(C)C2)n1 ZINC000482173336 1030243362 /nfs/dbraw/zinc/24/33/62/1030243362.db2.gz BDLDQAWDXWWZDI-HNNXBMFYSA-N -1 0 341.455 3.791 20 0 EHADRM CCC[C@@H]1CCCN(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])C1 ZINC000447510658 1030257787 /nfs/dbraw/zinc/25/77/87/1030257787.db2.gz ZPOFUCBVOIRDKL-CYBMUJFWSA-N -1 0 347.846 3.884 20 0 EHADRM C[C@H]1CN(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])CC(C)(C)C1 ZINC000447545987 1030277650 /nfs/dbraw/zinc/27/76/50/1030277650.db2.gz ZPFMNGRMCICNPS-GFCCVEGCSA-N -1 0 347.846 3.740 20 0 EHADRM COc1cc(OC)c(NC(=O)c2cc(F)cc(Cl)c2[O-])cc1F ZINC000158766089 1030408864 /nfs/dbraw/zinc/40/88/64/1030408864.db2.gz JTCHTKUPCJYLAH-UHFFFAOYSA-N -1 0 343.713 3.593 20 0 EHADRM O=C(NCc1cc(F)c(Cl)cc1F)c1ccc([O-])c(Cl)c1 ZINC000447729424 1030441549 /nfs/dbraw/zinc/44/15/49/1030441549.db2.gz OURKXSZYQUEMKW-UHFFFAOYSA-N -1 0 332.133 3.907 20 0 EHADRM Cc1ccc(Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1C(=O)[O-] ZINC001211594145 1030486508 /nfs/dbraw/zinc/48/65/08/1030486508.db2.gz NKNKECIIIYJZIA-VIFPVBQESA-N -1 0 344.436 3.722 20 0 EHADRM COc1ccc2c(c1)CCCN(C(=O)c1cc(F)cc(Cl)c1[O-])C2 ZINC000532278164 1030521813 /nfs/dbraw/zinc/52/18/13/1030521813.db2.gz IIMJJICBCBKLJE-UHFFFAOYSA-N -1 0 349.789 3.782 20 0 EHADRM CC(=O)c1cccc([N-]S(=O)(=O)c2csc3ccccc32)c1 ZINC000349920102 1030521658 /nfs/dbraw/zinc/52/16/58/1030521658.db2.gz WQNURDOZZGBXLA-UHFFFAOYSA-N -1 0 331.418 3.905 20 0 EHADRM CC(C)[C@@H](C)N(C(=O)c1cccc(Br)c1[O-])C1CC1 ZINC000537640582 1030539523 /nfs/dbraw/zinc/53/95/23/1030539523.db2.gz AKEJDZTVQVYUGV-SNVBAGLBSA-N -1 0 326.234 3.804 20 0 EHADRM CCc1n[n-]c(=NC(=O)N[C@@H]2C[C@H](C(C)C)c3ccccc32)s1 ZINC000447908040 1030580947 /nfs/dbraw/zinc/58/09/47/1030580947.db2.gz BAZDBVWWTWMIGD-ZIAGYGMSSA-N -1 0 330.457 3.529 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cccc2ccccc21 ZINC000583746871 1030619670 /nfs/dbraw/zinc/61/96/70/1030619670.db2.gz IZJLUTPYQZLDTR-YKTARERQSA-N -1 0 337.419 3.908 20 0 EHADRM Cc1cccc(N(C)C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])c1 ZINC000193997869 1030638192 /nfs/dbraw/zinc/63/81/92/1030638192.db2.gz BRVYQDNYOLDIKR-UHFFFAOYSA-N -1 0 341.798 3.816 20 0 EHADRM CCOc1cccc(NC(=O)N=c2nc(-c3ccsc3)[n-]s2)c1 ZINC000447994812 1030645777 /nfs/dbraw/zinc/64/57/77/1030645777.db2.gz WDQRRXHFBSISTE-UHFFFAOYSA-N -1 0 346.437 3.731 20 0 EHADRM Cc1cncc(CSc2n[n-]c(=NCCc3ccccc3)s2)c1 ZINC000527195297 1030720872 /nfs/dbraw/zinc/72/08/72/1030720872.db2.gz NLBWWWNFCBTDSL-UHFFFAOYSA-N -1 0 342.493 3.610 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccccc2Br)ccc1F ZINC000061122731 1030737862 /nfs/dbraw/zinc/73/78/62/1030737862.db2.gz GGPSYNQRIJKERL-UHFFFAOYSA-N -1 0 344.205 3.697 20 0 EHADRM CN(C(=O)c1cccc(Br)c1[O-])[C@H]1CCC(C)(C)C1 ZINC000527274029 1030760208 /nfs/dbraw/zinc/76/02/08/1030760208.db2.gz PSVJCLJMHDERAU-JTQLQIEISA-N -1 0 326.234 3.805 20 0 EHADRM Fc1cc(F)cc(CN=c2[n-]nc(-c3ccc4c(c3)CCC4)o2)c1 ZINC000550960777 1030834619 /nfs/dbraw/zinc/83/46/19/1030834619.db2.gz MGYTVPRRQZABAJ-UHFFFAOYSA-N -1 0 327.334 3.538 20 0 EHADRM Cc1cccc(S([O-])=CC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)c1 ZINC000194533738 1030838966 /nfs/dbraw/zinc/83/89/66/1030838966.db2.gz OFNOEERDCUDLKQ-NTKDMRAZSA-N -1 0 347.455 3.755 20 0 EHADRM C[C@H](CC(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1)c1ccccc1 ZINC000262830809 1030926502 /nfs/dbraw/zinc/92/65/02/1030926502.db2.gz FUAWEUCMDLCKSB-MNEFBYGVSA-N -1 0 337.419 3.507 20 0 EHADRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2ccnn2CCC)c1 ZINC000551019656 1030938335 /nfs/dbraw/zinc/93/83/35/1030938335.db2.gz PFUVBVDBCDDPML-UHFFFAOYSA-N -1 0 341.864 3.700 20 0 EHADRM O=C([O-])c1ccc(CN2CCO[C@@H](c3cccs3)C2)cc1Cl ZINC000583877595 1031035881 /nfs/dbraw/zinc/03/58/81/1031035881.db2.gz QWCLQBWLAKCUPI-CQSZACIVSA-N -1 0 337.828 3.673 20 0 EHADRM CC(=CC(=O)[N-]S(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000065642981 1031079134 /nfs/dbraw/zinc/07/91/34/1031079134.db2.gz XPOXEHLIEOKEQI-KHPPLWFESA-N -1 0 337.347 3.714 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)on2)cc(C)c1F ZINC000476917372 1031082322 /nfs/dbraw/zinc/08/23/22/1031082322.db2.gz UMPMSUDZYFMSJY-UHFFFAOYSA-N -1 0 326.393 3.529 20 0 EHADRM CC[C@@](CNC(=O)c1ccc(SC)cc1)(C(=O)[O-])c1ccccc1 ZINC000262897704 1031098815 /nfs/dbraw/zinc/09/88/15/1031098815.db2.gz COKVVJZHQKLZMM-IBGZPJMESA-N -1 0 343.448 3.571 20 0 EHADRM CC(C)c1nc(=N[C@H]2C[C@@H]2c2ccccc2OC(F)F)s[n-]1 ZINC000583909596 1031104494 /nfs/dbraw/zinc/10/44/94/1031104494.db2.gz AAYHAHSNUIRQNO-MNOVXSKESA-N -1 0 325.384 3.653 20 0 EHADRM CC(C)(C)c1nnc([N-]C(=O)c2cc(-c3ccc(F)cc3)no2)s1 ZINC000666971683 1031143032 /nfs/dbraw/zinc/14/30/32/1031143032.db2.gz CYQJOAFLJDELFC-UHFFFAOYSA-N -1 0 346.387 3.882 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N2CCc3cc(C)ccc3C2)s1 ZINC000483539399 1031211188 /nfs/dbraw/zinc/21/11/88/1031211188.db2.gz PEDJXGXWMXQTQI-UHFFFAOYSA-N -1 0 344.484 3.591 20 0 EHADRM Cc1nc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)ccc1C(=O)[O-] ZINC000448545695 1031234987 /nfs/dbraw/zinc/23/49/87/1031234987.db2.gz JQNKDPIHSQILIH-UHFFFAOYSA-N -1 0 344.370 3.912 20 0 EHADRM CC(C)c1ccsc1C(=O)N[C@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC000455891090 1031243190 /nfs/dbraw/zinc/24/31/90/1031243190.db2.gz YRSIYOYRGXKUDH-GFCCVEGCSA-N -1 0 347.436 3.826 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@@H](c2ccccc2C)C(C)C)s1 ZINC000483637602 1031261564 /nfs/dbraw/zinc/26/15/64/1031261564.db2.gz YRUXNHWDMMTSDW-OAHLLOKOSA-N -1 0 332.473 3.740 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)N[C@@H](C)c1c(F)cccc1Cl)C1CCC1 ZINC000583972653 1031279945 /nfs/dbraw/zinc/27/99/45/1031279945.db2.gz SOAJYGCORHSOHV-VHSXEESVSA-N -1 0 342.798 3.577 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)C1=C(C)CC(C)(C)CC1 ZINC000564736846 1031304245 /nfs/dbraw/zinc/30/42/45/1031304245.db2.gz BRRSYLLLNCBMPL-UHFFFAOYSA-N -1 0 340.427 3.951 20 0 EHADRM Cc1ccc([C@@H](C)N(C)C(=O)c2nn(-c3ccccc3)cc2[O-])cc1 ZINC000175274379 1031317368 /nfs/dbraw/zinc/31/73/68/1031317368.db2.gz BTWWVMKTHYKKKQ-OAHLLOKOSA-N -1 0 335.407 3.720 20 0 EHADRM COCc1n[n-]c(=NCC(C)(C)c2cccc(C(F)(F)F)c2)s1 ZINC000477188037 1031328890 /nfs/dbraw/zinc/32/88/90/1031328890.db2.gz OMVNXJADKOVVBO-UHFFFAOYSA-N -1 0 345.390 3.515 20 0 EHADRM COc1ccc(CNC(=O)c2ccc([O-])c(Cl)c2)cc1Cl ZINC000151329826 1031354107 /nfs/dbraw/zinc/35/41/07/1031354107.db2.gz VOILZGSKUCYQGB-UHFFFAOYSA-N -1 0 326.179 3.638 20 0 EHADRM CC(C)C[C@H](NC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1)C(=O)[O-] ZINC000668267970 1031355436 /nfs/dbraw/zinc/35/54/36/1031355436.db2.gz BVIPCRHRAUWVEY-ZDUSSCGKSA-N -1 0 345.361 3.756 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000668281092 1031377038 /nfs/dbraw/zinc/37/70/38/1031377038.db2.gz MJIIHNSGWAJTMP-JTQLQIEISA-N -1 0 331.334 3.510 20 0 EHADRM C[C@H](NC(=O)C(C)(C)c1ccc(-c2ccccc2)cc1)[C@H](C)C(=O)[O-] ZINC000668287081 1031395559 /nfs/dbraw/zinc/39/55/59/1031395559.db2.gz WQHYIYXAWYTFOH-GJZGRUSLSA-N -1 0 339.435 3.857 20 0 EHADRM Cc1ccc(N(C)c2c(N)cccc2Br)cc1C(=O)[O-] ZINC001211606628 1031398665 /nfs/dbraw/zinc/39/86/65/1031398665.db2.gz UZYMNODSNPEOGT-UHFFFAOYSA-N -1 0 335.201 3.806 20 0 EHADRM CC(C)(c1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])cc1)C(F)(F)F ZINC000668289435 1031405549 /nfs/dbraw/zinc/40/55/49/1031405549.db2.gz XQKIOBFSAAPPFA-QWHCGFSZSA-N -1 0 343.345 3.510 20 0 EHADRM O=C(CSc1n[n-]c(=S)s1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000176315647 1031426555 /nfs/dbraw/zinc/42/65/55/1031426555.db2.gz VJVJWVYCRFRAJZ-AWEZNQCLSA-N -1 0 341.527 3.642 20 0 EHADRM Cc1ccccc1-c1nc(=N[C@H](C)C[C@H](O)c2cccs2)s[n-]1 ZINC000527937103 1031461281 /nfs/dbraw/zinc/46/12/81/1031461281.db2.gz BNRZHUWZKCPRRV-OCCSQVGLSA-N -1 0 345.493 3.921 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1cc(-c2ncco2)ccc1C ZINC000536197025 1031476954 /nfs/dbraw/zinc/47/69/54/1031476954.db2.gz HDGVKNUXHSKDFV-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM CCOCCOc1cc(C)ccc1CN=c1nc(C(C)(C)C)[n-]s1 ZINC000477358229 1031477765 /nfs/dbraw/zinc/47/77/65/1031477765.db2.gz ZRQBKOIUXYPQIM-UHFFFAOYSA-N -1 0 349.500 3.593 20 0 EHADRM CC(C)[C@H](CNC(=O)c1cc(F)c([O-])c(Cl)c1)c1cccnc1 ZINC000194816198 1031543825 /nfs/dbraw/zinc/54/38/25/1031543825.db2.gz HJLZTOPCUUAYIR-ZDUSSCGKSA-N -1 0 336.794 3.749 20 0 EHADRM COC(=O)c1ccc(NC(=O)CC2(CC(=O)[O-])CCCCC2)cc1C ZINC000343600854 1031573919 /nfs/dbraw/zinc/57/39/19/1031573919.db2.gz PQSFQKBHVUAMSP-UHFFFAOYSA-N -1 0 347.411 3.535 20 0 EHADRM O=C([O-])C[C@@H]1CSCCN1Cc1nc(C2CCCCC2)cs1 ZINC000565100807 1031579822 /nfs/dbraw/zinc/57/98/22/1031579822.db2.gz FDZKDHROOQPPPC-CYBMUJFWSA-N -1 0 340.514 3.583 20 0 EHADRM CCCc1ccc(C(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)cc1 ZINC000262925874 1031589981 /nfs/dbraw/zinc/58/99/81/1031589981.db2.gz OLRLZYDVWAMOFE-OALUTQOASA-N -1 0 337.419 3.580 20 0 EHADRM O=C([O-])c1csc(Cc2ccc(NC[C@H]3CCSC3)cc2)n1 ZINC000904015826 1031604053 /nfs/dbraw/zinc/60/40/53/1031604053.db2.gz YJFZBKGMKPYWEN-GFCCVEGCSA-N -1 0 334.466 3.597 20 0 EHADRM Cc1cc(C[NH2+][C@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)sn1 ZINC000904010902 1031629000 /nfs/dbraw/zinc/62/90/00/1031629000.db2.gz RYNYCMHTFBEBQP-CYBMUJFWSA-N -1 0 344.358 3.776 20 0 EHADRM COC(=O)c1ccc(CNc2ccc(CCCC(=O)[O-])cc2)c(F)c1 ZINC000904011880 1031631500 /nfs/dbraw/zinc/63/15/00/1031631500.db2.gz KINMFYHKLMVTMD-UHFFFAOYSA-N -1 0 345.370 3.632 20 0 EHADRM O=C([O-])CCCc1ccc(NCc2cccc3c2CCOC3)cc1 ZINC000904012102 1031632029 /nfs/dbraw/zinc/63/20/29/1031632029.db2.gz OSFZQYDICZUHJB-UHFFFAOYSA-N -1 0 325.408 3.779 20 0 EHADRM CCn1nc(CN[C@H](CC(=O)[O-])c2ccccc2F)c2ccccc21 ZINC000904045884 1031664011 /nfs/dbraw/zinc/66/40/11/1031664011.db2.gz QPUMHCOHZNWBHV-MRXNPFEDSA-N -1 0 341.386 3.501 20 0 EHADRM COC1([C@@H](NCc2ccc(-c3ccc(F)cc3C)o2)C(=O)[O-])CCC1 ZINC000904051499 1031674291 /nfs/dbraw/zinc/67/42/91/1031674291.db2.gz WFUABKVASVPVNJ-KRWDZBQOSA-N -1 0 347.386 3.506 20 0 EHADRM CC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(-c2nc(C)cc(=O)[nH]2)cc1 ZINC000448796066 1031703325 /nfs/dbraw/zinc/70/33/25/1031703325.db2.gz QLGAGJJUJOJAPR-BBRMVZONSA-N -1 0 325.412 3.510 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N(CC2CC2)C2CCC2)n1 ZINC000551937853 1031794327 /nfs/dbraw/zinc/79/43/27/1031794327.db2.gz HKCCBPXFSFOMLR-UHFFFAOYSA-N -1 0 339.439 3.545 20 0 EHADRM Cc1coc(-c2cccc(N[C@H]3C[C@@H](NC(=O)[O-])C34CCC4)c2)n1 ZINC000904199567 1031844447 /nfs/dbraw/zinc/84/44/47/1031844447.db2.gz LTVKSFADEUBQKF-LSDHHAIUSA-N -1 0 327.384 3.641 20 0 EHADRM Cc1coc(-c2ccc(C)c(N[C@H]3C[C@@H](NC(=O)[O-])C34CCC4)c2)n1 ZINC000904199462 1031844575 /nfs/dbraw/zinc/84/45/75/1031844575.db2.gz KIUQKTRLOAIDSS-JKSUJKDBSA-N -1 0 341.411 3.949 20 0 EHADRM O=C([O-])N[C@H]1C[C@H](Nc2ccccc2N2CCCCC2)C12CCC2 ZINC000904199244 1031844878 /nfs/dbraw/zinc/84/48/78/1031844878.db2.gz NPVHWQJDNXSJDB-IRXDYDNUSA-N -1 0 329.444 3.668 20 0 EHADRM Cc1ccc(NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)c(C)c1 ZINC000904198405 1031845055 /nfs/dbraw/zinc/84/50/55/1031845055.db2.gz COATUMIHLGVTAN-UHFFFAOYSA-N -1 0 328.412 3.810 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1noc2c1CCCC2 ZINC000537728805 1031858624 /nfs/dbraw/zinc/85/86/24/1031858624.db2.gz VASVGDHODHRRKT-UHFFFAOYSA-N -1 0 327.167 3.818 20 0 EHADRM O=C(N=c1nc(-c2ccccc2)[n-]s1)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000537735537 1031877261 /nfs/dbraw/zinc/87/72/61/1031877261.db2.gz GLCZBOGAANCWRW-HUUCEWRRSA-N -1 0 339.395 3.508 20 0 EHADRM CC[C@H](C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)C1CCC(C)CC1 ZINC000460666015 1031942823 /nfs/dbraw/zinc/94/28/23/1031942823.db2.gz DPLDCFLWONIHNI-ZUEPYMLJSA-N -1 0 343.427 3.821 20 0 EHADRM C[C@@H]1CN(C(=O)c2cccc(OC3CCCCC3)c2)C[C@@]1(C)C(=O)[O-] ZINC000584234651 1031991030 /nfs/dbraw/zinc/99/10/30/1031991030.db2.gz NQJJJNYLKJDXGA-JLTOFOAXSA-N -1 0 345.439 3.581 20 0 EHADRM CC(C)c1cc(C(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])nn1C(C)(C)C ZINC000448991533 1032001172 /nfs/dbraw/zinc/00/11/72/1032001172.db2.gz JYQYTROEMAJJRE-KGLIPLIRSA-N -1 0 349.475 3.525 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)NC[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000666111504 1032014087 /nfs/dbraw/zinc/01/40/87/1032014087.db2.gz ONUQJIFBAGDUOV-ZSYWTGECSA-N -1 0 341.451 3.744 20 0 EHADRM O=C(Nc1cccc(OC(F)(F)F)c1)c1c(F)ccc(O)c1F ZINC000537974475 1032052640 /nfs/dbraw/zinc/05/26/40/1032052640.db2.gz CQXNWJPZJGLAQX-UHFFFAOYSA-N -1 0 333.212 3.821 20 0 EHADRM CC(C)SCC(=O)N1CCC([C@@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000598661748 1033360368 /nfs/dbraw/zinc/36/03/68/1033360368.db2.gz MJWOWIOQELBRLE-KRWDZBQOSA-N -1 0 349.496 3.625 20 0 EHADRM CCCSCC(=O)N1CCC([C@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000598662604 1033361204 /nfs/dbraw/zinc/36/12/04/1033361204.db2.gz RXBJSFYGMFJTJQ-QGZVFWFLSA-N -1 0 349.496 3.627 20 0 EHADRM C[C@]1(C(=O)Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)CC=CCC1 ZINC001142548210 1033426281 /nfs/dbraw/zinc/42/62/81/1033426281.db2.gz OBHVLNTZOXENEP-SFHVURJKSA-N -1 0 345.420 3.771 20 0 EHADRM CCCCc1n[n-]c(=NCc2ccc(Br)cc2Cl)o1 ZINC000537506347 1033511711 /nfs/dbraw/zinc/51/17/11/1033511711.db2.gz QSEMGRCNIOHPHI-UHFFFAOYSA-N -1 0 344.640 3.862 20 0 EHADRM CC1(C)Cc2cc(CN=c3[n-]nc(C4CCCCC4)o3)ccc2O1 ZINC000537505715 1033513155 /nfs/dbraw/zinc/51/31/55/1033513155.db2.gz AGXUMFZNUQLRTH-UHFFFAOYSA-N -1 0 327.428 3.865 20 0 EHADRM O=C(Cc1cccc(C(F)(F)F)c1)[N-]S(=O)(=O)c1ccccc1 ZINC000046708586 1033561964 /nfs/dbraw/zinc/56/19/64/1033561964.db2.gz JEMWPDOZHFXZRS-UHFFFAOYSA-N -1 0 343.326 3.593 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1ccc2c(c1)C(C)(C)NC(=O)N2 ZINC001211626564 1033587341 /nfs/dbraw/zinc/58/73/41/1033587341.db2.gz LVCVAFASEANGKS-UHFFFAOYSA-N -1 0 325.368 3.807 20 0 EHADRM O=C([O-])[C@@H](CC(=O)N[C@@H](CC1CC1)c1ccccc1)c1ccccc1 ZINC000608340170 1033612301 /nfs/dbraw/zinc/61/23/01/1033612301.db2.gz GDOZJRQXLQCNEH-OALUTQOASA-N -1 0 337.419 3.903 20 0 EHADRM Cc1cccc([C@H](NC(=O)N2CCC[C@H](CC(=O)[O-])C2)C(C)C)c1 ZINC000529224326 1033625353 /nfs/dbraw/zinc/62/53/53/1033625353.db2.gz ATKVIYNSGRWMRV-CRAIPNDOSA-N -1 0 332.444 3.588 20 0 EHADRM CC[C@@H](CNC(=O)c1nn(-c2ccccc2)cc1[O-])c1ccccc1 ZINC000603553418 1033746268 /nfs/dbraw/zinc/74/62/68/1033746268.db2.gz JWOKQNHHRZGVKA-HNNXBMFYSA-N -1 0 335.407 3.502 20 0 EHADRM O=C(c1cc(O)c2ccccc2c1)N1CCN(c2ccccc2)CC1 ZINC000349300956 1033797671 /nfs/dbraw/zinc/79/76/71/1033797671.db2.gz VJMNMOQGOJGLDF-UHFFFAOYSA-N -1 0 332.403 3.508 20 0 EHADRM CCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000174258277 1033867467 /nfs/dbraw/zinc/86/74/67/1033867467.db2.gz XNOZHNUEUHGJDJ-CQSZACIVSA-N -1 0 331.437 3.595 20 0 EHADRM O=c1nc(CCCCO)[n-]c2cc(-c3ccccc3Cl)sc21 ZINC000603740324 1033890490 /nfs/dbraw/zinc/89/04/90/1033890490.db2.gz WHOVNZICZGIXDO-UHFFFAOYSA-N -1 0 334.828 3.620 20 0 EHADRM Cc1ccc2nc(C)c(C(=O)NCCc3ccc(C(=O)[O-])cc3)cc2c1 ZINC000237899519 1033900949 /nfs/dbraw/zinc/90/09/49/1033900949.db2.gz UATIGSFKVWZRHS-UHFFFAOYSA-N -1 0 348.402 3.522 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C(C)(C)C)c1 ZINC000612013633 1033913350 /nfs/dbraw/zinc/91/33/50/1033913350.db2.gz AGNUBECKLHSTJK-HNNXBMFYSA-N -1 0 339.395 3.754 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1c(N)ccc(F)c1Br ZINC001211628702 1033914627 /nfs/dbraw/zinc/91/46/27/1033914627.db2.gz GANKWBGOEMRBRG-UHFFFAOYSA-N -1 0 339.164 3.921 20 0 EHADRM CC(C)c1n[n-]c(=NCc2ccccc2COCc2ccccc2)o1 ZINC000450256260 1033975379 /nfs/dbraw/zinc/97/53/79/1033975379.db2.gz GFSLQUXAOWKVOD-UHFFFAOYSA-N -1 0 337.423 3.944 20 0 EHADRM CCc1cc2c([nH]c(-c3cc(Cl)c([O-])c(OC)c3)nc2=O)s1 ZINC000055494670 1033976514 /nfs/dbraw/zinc/97/65/14/1033976514.db2.gz FRUPVFWBCJHYRL-UHFFFAOYSA-N -1 0 336.800 3.582 20 0 EHADRM COc1cc([C@@H](C)N=c2[n-]c(C3CCC3)no2)ccc1OC(C)C ZINC000450249657 1033989382 /nfs/dbraw/zinc/98/93/82/1033989382.db2.gz BKWBLVHNQPBGCU-GFCCVEGCSA-N -1 0 331.416 3.728 20 0 EHADRM CCOCCOCc1cccc(NC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000057060188 1034090664 /nfs/dbraw/zinc/09/06/64/1034090664.db2.gz YFLPKAGNKPSPHN-UHFFFAOYSA-N -1 0 349.814 3.851 20 0 EHADRM Cc1n[nH]c(C)c1[N-]S(=O)(=O)c1ccc2oc3ccccc3c2c1 ZINC000534173888 1034207537 /nfs/dbraw/zinc/20/75/37/1034207537.db2.gz UFCNMZAPTBIXLE-UHFFFAOYSA-N -1 0 341.392 3.727 20 0 EHADRM O=C([O-])C1(CNC(=O)CC2CCC(C(F)(F)F)CC2)CCCCC1 ZINC000191499087 1034229561 /nfs/dbraw/zinc/22/95/61/1034229561.db2.gz ANJGSRPPVRMMIW-UHFFFAOYSA-N -1 0 349.393 3.897 20 0 EHADRM CCN(CC(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2)cc1C ZINC000780569535 1034262272 /nfs/dbraw/zinc/26/22/72/1034262272.db2.gz XIQHIQCXIWVVAF-UHFFFAOYSA-N -1 0 328.368 3.726 20 0 EHADRM CCc1c2ccccc2oc1C(=O)N=c1[nH][n-]c(C(F)(F)F)c1C ZINC000648215734 1034331352 /nfs/dbraw/zinc/33/13/52/1034331352.db2.gz XRRLBEZKXACQEG-UHFFFAOYSA-N -1 0 337.301 3.720 20 0 EHADRM O=C([O-])C[C@H]1CCCN1Cc1cc(Br)c(Cl)s1 ZINC000227979336 1034400897 /nfs/dbraw/zinc/40/08/97/1034400897.db2.gz ZTEYZKQKKCORGN-SSDOTTSWSA-N -1 0 338.654 3.603 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2sccc2-n2cccc2)c1 ZINC000193448390 1034465976 /nfs/dbraw/zinc/46/59/76/1034465976.db2.gz ASVNRJNCVZCCJF-UHFFFAOYSA-N -1 0 330.340 3.628 20 0 EHADRM Cn1ccc2c1cccc2[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000604692592 1034466555 /nfs/dbraw/zinc/46/65/55/1034466555.db2.gz SSASDUHNFSDHTL-UHFFFAOYSA-N -1 0 337.404 3.527 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-] ZINC000450524135 1034477394 /nfs/dbraw/zinc/47/73/94/1034477394.db2.gz LUUVWWKTESCSBF-HIFRSBDPSA-N -1 0 328.412 3.548 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000450530622 1034489051 /nfs/dbraw/zinc/48/90/51/1034489051.db2.gz DSKJPZKOPUEPHN-KXBFYZLASA-N -1 0 337.419 3.722 20 0 EHADRM CC1(C)CN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)C[C@@H]1c1ccccc1 ZINC000450537933 1034510819 /nfs/dbraw/zinc/51/08/19/1034510819.db2.gz DWULKWVHKSFOLK-BRWVUGGUSA-N -1 0 329.440 3.530 20 0 EHADRM Fc1cc(F)c2c(c1)[C@@H](N=c1[n-]nc(C(F)(F)F)s1)CCC2 ZINC000450551605 1034530726 /nfs/dbraw/zinc/53/07/26/1034530726.db2.gz GATMCBCYGMGFNM-JTQLQIEISA-N -1 0 335.301 3.747 20 0 EHADRM CC[C@H]1CC[C@@H](C)N1C(=O)c1cc(Br)c(F)cc1[O-] ZINC000450580076 1034545708 /nfs/dbraw/zinc/54/57/08/1034545708.db2.gz FCVKLXACDJQXQR-BDAKNGLRSA-N -1 0 330.197 3.697 20 0 EHADRM FC(F)(F)C[C@@H]1CCCC[C@@H]1N=c1[n-]nc(C(F)(F)F)s1 ZINC000450659144 1034653121 /nfs/dbraw/zinc/65/31/21/1034653121.db2.gz GLSUEYLCKLNYNQ-BQBZGAKWSA-N -1 0 333.301 3.902 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N[C@H]2CSc3ccccc32)s1 ZINC000605189276 1034668766 /nfs/dbraw/zinc/66/87/66/1034668766.db2.gz ITGAYRNBXGXURU-LBPRGKRZSA-N -1 0 348.497 3.661 20 0 EHADRM CCc1nc(=N[C@@H](CCOC)c2cccc(C(F)(F)F)c2)s[n-]1 ZINC000450808680 1034819571 /nfs/dbraw/zinc/81/95/71/1034819571.db2.gz VAQZJTDYGFGMPR-LBPRGKRZSA-N -1 0 345.390 3.731 20 0 EHADRM OCC1(CCN=c2[n-]nc(-c3cc(Cl)cc(Cl)c3)s2)CC1 ZINC000450824818 1034829519 /nfs/dbraw/zinc/82/95/19/1034829519.db2.gz UPLFLHFBVLSNAE-UHFFFAOYSA-N -1 0 344.267 3.508 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])c1cccs1 ZINC000601983017 1034847270 /nfs/dbraw/zinc/84/72/70/1034847270.db2.gz FEDNDFRXTSTQAM-SRVKXCTJSA-N -1 0 329.487 3.546 20 0 EHADRM Cc1c(C(=O)Nc2cccc(F)c2O)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000530006362 1034852808 /nfs/dbraw/zinc/85/28/08/1034852808.db2.gz OTTWJNUYILFZJL-UHFFFAOYSA-N -1 0 330.359 3.575 20 0 EHADRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2SC(F)F)s1 ZINC000230332981 1034865941 /nfs/dbraw/zinc/86/59/41/1034865941.db2.gz LLRZYAPJNWKCGY-UHFFFAOYSA-N -1 0 346.405 3.735 20 0 EHADRM C[C@@H](c1ccccc1F)N(C)C(=O)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000326848466 1034877016 /nfs/dbraw/zinc/87/70/16/1034877016.db2.gz NWGMXQVDHDOIBD-XOBRGWDASA-N -1 0 343.398 3.778 20 0 EHADRM O=C([O-])C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)cc2)CC1 ZINC000584480692 1034930641 /nfs/dbraw/zinc/93/06/41/1034930641.db2.gz KKLZPOXTHLCEJX-UHFFFAOYSA-N -1 0 343.810 3.944 20 0 EHADRM Cc1csc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)c1 ZINC000451022639 1035020598 /nfs/dbraw/zinc/02/05/98/1035020598.db2.gz DBNJUTMIIKRWRS-UHFFFAOYSA-N -1 0 334.422 3.876 20 0 EHADRM Cc1csc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)c1 ZINC000451023925 1035022657 /nfs/dbraw/zinc/02/26/57/1035022657.db2.gz MGZTZOPDCJLIFG-UHFFFAOYSA-N -1 0 328.434 3.817 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)nc1n2CCCCC1)c1cccs1 ZINC000008720181 1035039245 /nfs/dbraw/zinc/03/92/45/1035039245.db2.gz JBKZCUVYXYDMKD-UHFFFAOYSA-N -1 0 347.465 3.625 20 0 EHADRM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1ccc(Br)cc1F ZINC000530175497 1035048617 /nfs/dbraw/zinc/04/86/17/1035048617.db2.gz HKDUFQPCDWBFOQ-UWVGGRQHSA-N -1 0 344.224 3.662 20 0 EHADRM Cc1cc(NC(=O)[C@H]2CCOc3ccc(Cl)cc32)ccc1C(=O)[O-] ZINC000431664848 1035131692 /nfs/dbraw/zinc/13/16/92/1035131692.db2.gz ZJQZFGALIMJWIO-AWEZNQCLSA-N -1 0 345.782 3.851 20 0 EHADRM Cc1ccc(Cl)c(NC(=O)CSc2n[n-]c(=S)s2)c1 ZINC000162267263 1035244100 /nfs/dbraw/zinc/24/41/00/1035244100.db2.gz YGKKKQMAMMHIRO-UHFFFAOYSA-N -1 0 331.875 3.519 20 0 EHADRM O=S(=O)([N-]c1ccnn1C1CCCCC1)c1ccccc1Cl ZINC000066241895 1035314021 /nfs/dbraw/zinc/31/40/21/1035314021.db2.gz ZTTJCJGUGPDCJQ-UHFFFAOYSA-N -1 0 339.848 3.843 20 0 EHADRM O=S(=O)([N-]c1ccnn1C1CCCCC1)c1ccc(Cl)s1 ZINC000066248248 1035326025 /nfs/dbraw/zinc/32/60/25/1035326025.db2.gz CYAWDUKRZBJOOC-UHFFFAOYSA-N -1 0 345.877 3.904 20 0 EHADRM Cn1cc2c(n1)CCC[C@H]2N=c1[n-]nc(-c2ccccc2Cl)s1 ZINC000548972922 1035348495 /nfs/dbraw/zinc/34/84/95/1035348495.db2.gz OZNJTQXSFXQQCA-CYBMUJFWSA-N -1 0 345.859 3.503 20 0 EHADRM CO[C@@H](C)c1nc(=NCC2(c3ccc(F)cc3)CCCC2)s[n-]1 ZINC000509707173 1035518033 /nfs/dbraw/zinc/51/80/33/1035518033.db2.gz FLCPDANZVGYBND-LBPRGKRZSA-N -1 0 335.448 3.730 20 0 EHADRM Cc1cc(Cl)cc(NC(=O)CC(C)(C)C(=O)[O-])c1Br ZINC000414104567 1035520490 /nfs/dbraw/zinc/52/04/90/1035520490.db2.gz ZDAKRUAKBAYYPJ-UHFFFAOYSA-N -1 0 348.624 3.850 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)N[C@@H](CC(=O)[O-])C1CCCCC1 ZINC000540706228 1035585966 /nfs/dbraw/zinc/58/59/66/1035585966.db2.gz JRRADELFIYWMHL-DYVFJYSZSA-N -1 0 335.419 3.544 20 0 EHADRM CC(C)(C)C(=O)Nc1ccc(-c2ccc(C3(C(=O)[O-])CC3)cc2)cn1 ZINC000520611035 1035590313 /nfs/dbraw/zinc/59/03/13/1035590313.db2.gz DVDOFTHEWVXHJJ-UHFFFAOYSA-N -1 0 338.407 3.849 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N(C)[C@H](C)c1ccccc1Cl)C(=O)[O-] ZINC000321296007 1035619713 /nfs/dbraw/zinc/61/97/13/1035619713.db2.gz BCMBONVPFXIPAA-OLZOCXBDSA-N -1 0 340.851 3.789 20 0 EHADRM CC[C@](C)(NC(=O)Nc1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000571758246 1035621536 /nfs/dbraw/zinc/62/15/36/1035621536.db2.gz JNYKQAGZCAKXJB-AWEZNQCLSA-N -1 0 332.322 3.556 20 0 EHADRM COCC[C@H](Sc1n[n-]c(=NCC(C)C)s1)c1ccccc1 ZINC000534803502 1035634564 /nfs/dbraw/zinc/63/45/64/1035634564.db2.gz NFIPKUYOVQODJG-AWEZNQCLSA-N -1 0 337.514 3.898 20 0 EHADRM CCC[C@H](CNC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000263092639 1035654353 /nfs/dbraw/zinc/65/43/53/1035654353.db2.gz DUEYTJCUPGQSTJ-DGCLKSJQSA-N -1 0 345.361 3.501 20 0 EHADRM Fc1cccc(Cc2n[n-]c(=NCc3ccc(F)c(Cl)c3)o2)c1 ZINC000540791141 1035687356 /nfs/dbraw/zinc/68/73/56/1035687356.db2.gz IGORMILQBWGRCM-UHFFFAOYSA-N -1 0 335.741 3.626 20 0 EHADRM CCn1c(CN=c2[n-]nc(CC3CCCCC3)o2)nc2ccccc21 ZINC000540792910 1035687453 /nfs/dbraw/zinc/68/74/53/1035687453.db2.gz LDAVYARUUZJLPB-UHFFFAOYSA-N -1 0 339.443 3.596 20 0 EHADRM CC(C)Cc1n[n-]c(=NCc2cccc(OCC(F)(F)F)c2)s1 ZINC000540807749 1035698176 /nfs/dbraw/zinc/69/81/76/1035698176.db2.gz HURVOYQSGAPAIT-UHFFFAOYSA-N -1 0 345.390 3.712 20 0 EHADRM Cc1cc2cc(NC(=O)c3cc(=O)n(-c4ccc(C)cc4)[n-]3)ccc2[nH]1 ZINC000173903296 1035704013 /nfs/dbraw/zinc/70/40/13/1035704013.db2.gz IVDGWLPRWDSIDG-UHFFFAOYSA-N -1 0 346.390 3.516 20 0 EHADRM CCC1(C)CN(C(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)C1 ZINC000463661535 1035719801 /nfs/dbraw/zinc/71/98/01/1035719801.db2.gz CWDTVFNJPZLFMC-UHFFFAOYSA-N -1 0 336.848 3.544 20 0 EHADRM FC(F)(F)COc1ccccc1CN=c1[n-]c(-c2ccccc2)no1 ZINC000588162019 1035733805 /nfs/dbraw/zinc/73/38/05/1035733805.db2.gz WNMJDQMHKDFIMA-UHFFFAOYSA-N -1 0 349.312 3.712 20 0 EHADRM CCOc1cc(C(=O)N2CCc3ccc(F)cc3C2)cc(Cl)c1O ZINC000186884694 1035734044 /nfs/dbraw/zinc/73/40/44/1035734044.db2.gz GKKXLEOHHLTUGO-UHFFFAOYSA-N -1 0 349.789 3.782 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2cccc(-c3ccccc3)c2)C1 ZINC000263098745 1035762136 /nfs/dbraw/zinc/76/21/36/1035762136.db2.gz JRRKQOXBZRFZPL-YOEHRIQHSA-N -1 0 338.407 3.928 20 0 EHADRM CCn1cc(S(=O)(=O)[N-]c2ccc(SC(C)(C)C)cc2)cn1 ZINC000066584910 1035815649 /nfs/dbraw/zinc/81/56/49/1035815649.db2.gz KMABYXGGHAHZCT-UHFFFAOYSA-N -1 0 339.486 3.594 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2O)cc1Cl ZINC000463790125 1035835190 /nfs/dbraw/zinc/83/51/90/1035835190.db2.gz OREPZAPZMPMRDF-UHFFFAOYSA-N -1 0 343.857 3.877 20 0 EHADRM CC[C@H]1CCCC[C@H]1NC(=O)c1cnc2cc(F)c(F)cc2c1O ZINC000892546098 1035878815 /nfs/dbraw/zinc/87/88/15/1035878815.db2.gz BBGZKIRFVRXAJB-ZUZCIYMTSA-N -1 0 334.366 3.505 20 0 EHADRM CC1(C)C[C@H](CNC(=O)c2c([O-])cc(Cl)cc2Cl)CCO1 ZINC000457222897 1035881826 /nfs/dbraw/zinc/88/18/26/1035881826.db2.gz XUASQNQJAQFLIJ-SECBINFHSA-N -1 0 332.227 3.634 20 0 EHADRM C[C@@H]1[C@@H](C(=O)Nc2ccc(F)c(F)c2[O-])CCN1c1ccccc1 ZINC000457284275 1035940374 /nfs/dbraw/zinc/94/03/74/1035940374.db2.gz BLQJBICBFLXAGG-YPMHNXCESA-N -1 0 332.350 3.524 20 0 EHADRM C[C@@H](Oc1ccc(-c2ccccc2OC[C@@H]2CCOC2)cc1)C(=O)[O-] ZINC000572015350 1035949735 /nfs/dbraw/zinc/94/97/35/1035949735.db2.gz LQQHZUJZMCCRJH-HUUCEWRRSA-N -1 0 342.391 3.621 20 0 EHADRM C[C@H](C(=O)Nc1ccc(F)c(F)c1[O-])[C@@H]1OCCc2sccc21 ZINC000457319165 1035950221 /nfs/dbraw/zinc/95/02/21/1035950221.db2.gz WCMRECOAYIPFCD-AYVTZFPOSA-N -1 0 339.363 3.621 20 0 EHADRM CCOCc1ccc(-c2cccc(C3(C(=O)[O-])CC(=O)C3)c2)cc1F ZINC000572060453 1035961987 /nfs/dbraw/zinc/96/19/87/1035961987.db2.gz WSUKMJGFVAAYEV-UHFFFAOYSA-N -1 0 342.366 3.715 20 0 EHADRM O=C([O-])c1cccnc1NCc1cccc(NC(=O)c2ccccc2)c1 ZINC000613487140 1036053778 /nfs/dbraw/zinc/05/37/78/1036053778.db2.gz YITPYRXFEVTGIZ-UHFFFAOYSA-N -1 0 347.374 3.644 20 0 EHADRM O=C([O-])c1ccccc1CCN1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000572371011 1036090759 /nfs/dbraw/zinc/09/07/59/1036090759.db2.gz JLAUESIXKYCGPZ-SFHVURJKSA-N -1 0 345.826 3.654 20 0 EHADRM CSCc1cccc(-c2cc3c(cc2CC(=O)[O-])OCCO3)c1 ZINC000572379669 1036093871 /nfs/dbraw/zinc/09/38/71/1036093871.db2.gz NBWKFECIVBZXGT-UHFFFAOYSA-N -1 0 330.405 3.615 20 0 EHADRM CCCOc1ccc(S(=O)(=O)Nc2cccc3c2ccn3C)cc1 ZINC000588833833 1036132807 /nfs/dbraw/zinc/13/28/07/1036132807.db2.gz SNUDCAWPCZVUHO-UHFFFAOYSA-N -1 0 344.436 3.768 20 0 EHADRM CC[C@H](CC(F)F)C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000457554036 1036252016 /nfs/dbraw/zinc/25/20/16/1036252016.db2.gz JDIPGJGEOKTSLN-MRVPVSSYSA-N -1 0 345.802 3.900 20 0 EHADRM Cc1[nH]c2ccccc2c1CC(=O)Nc1cc(C)c(C)c(C(=O)[O-])c1 ZINC000392920911 1036264922 /nfs/dbraw/zinc/26/49/22/1036264922.db2.gz ACOXKIJUZBLUMG-UHFFFAOYSA-N -1 0 336.391 3.973 20 0 EHADRM CCn1nccc1[N-]S(=O)(=O)c1c(C)cc(C(C)(C)C)cc1C ZINC000589265624 1036326444 /nfs/dbraw/zinc/32/64/44/1036326444.db2.gz UATPBDGHSGBGKP-UHFFFAOYSA-N -1 0 335.473 3.618 20 0 EHADRM CC(=C([O-])c1ccccc1C(F)(F)F)S(=O)(=O)c1ccccc1 ZINC000191225893 1036350806 /nfs/dbraw/zinc/35/08/06/1036350806.db2.gz QIRKITDQGKOCLW-NSHDSACASA-N -1 0 342.338 3.751 20 0 EHADRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)c1ccoc1C1CC1 ZINC000572527413 1036404668 /nfs/dbraw/zinc/40/46/68/1036404668.db2.gz WEATYGYNCKWHNO-UHFFFAOYSA-N -1 0 333.771 3.537 20 0 EHADRM Cc1ccc2c(c1)CC[C@@H](C(=O)Nc1cc(Cl)c([O-])cc1F)O2 ZINC000376380921 1036413835 /nfs/dbraw/zinc/41/38/35/1036413835.db2.gz JJCKCXGFWQOUJK-INIZCTEOSA-N -1 0 335.762 3.825 20 0 EHADRM CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000589437378 1036413975 /nfs/dbraw/zinc/41/39/75/1036413975.db2.gz JJRZWRGYSOCKME-UHFFFAOYSA-N -1 0 345.342 3.692 20 0 EHADRM COc1ccc([C@@H](C)N=c2[n-]nc(Cc3ccc(F)cc3)s2)cc1 ZINC000541578934 1036451253 /nfs/dbraw/zinc/45/12/53/1036451253.db2.gz XTCMVBCDUPEWAF-GFCCVEGCSA-N -1 0 343.427 3.872 20 0 EHADRM CC(C)n1cc([C@H](C)N=c2[n-]nc(Cc3ccc(F)cc3)s2)cn1 ZINC000541579252 1036451690 /nfs/dbraw/zinc/45/16/90/1036451690.db2.gz TXDAURGIVZQBIY-LBPRGKRZSA-N -1 0 345.447 3.640 20 0 EHADRM C/C=C/C[C@@H](NC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1)C(=O)[O-] ZINC000572702898 1036458986 /nfs/dbraw/zinc/45/89/86/1036458986.db2.gz DZDOXSLDTWNEDU-BTDICHCPSA-N -1 0 345.399 3.666 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(C)[C@H]2CCCC[C@H]2C)n1 ZINC000176267931 1036592683 /nfs/dbraw/zinc/59/26/83/1036592683.db2.gz LVGPTCJDHALHRB-DOMZBBRYSA-N -1 0 345.418 3.676 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H]1C(=O)Nc1ccccc1SCC(F)(F)F ZINC000391199060 1036597870 /nfs/dbraw/zinc/59/78/70/1036597870.db2.gz PETAILYGMSWMES-NXEZZACHSA-N -1 0 347.358 3.780 20 0 EHADRM CCC[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000263204050 1036635041 /nfs/dbraw/zinc/63/50/41/1036635041.db2.gz OBIIRXYWMJIMFQ-FHLIZLRMSA-N -1 0 325.408 3.560 20 0 EHADRM CC(C)(NC(=O)N=c1nc(-c2ccccc2Cl)[n-]s1)C1CC1 ZINC000541796919 1036653781 /nfs/dbraw/zinc/65/37/81/1036653781.db2.gz CDNGMCOKKSTHNS-UHFFFAOYSA-N -1 0 336.848 3.591 20 0 EHADRM Cc1ccc(S[C@@H](C)C(=O)N=c2nc(C(C)(C)C)[n-]s2)cc1 ZINC000589936265 1036667089 /nfs/dbraw/zinc/66/70/89/1036667089.db2.gz MYSQICZEGRSYPY-NSHDSACASA-N -1 0 335.498 3.685 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCCC2(CCCCC2)C1 ZINC000186322603 1036707584 /nfs/dbraw/zinc/70/75/84/1036707584.db2.gz KTFPGQLVGZHOCY-UHFFFAOYSA-N -1 0 327.346 3.996 20 0 EHADRM CCC(CC)N(C(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C1CC1 ZINC000541856246 1036714735 /nfs/dbraw/zinc/71/47/35/1036714735.db2.gz ZHOAABUHLIKFDQ-UHFFFAOYSA-N -1 0 331.391 3.510 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2ccnc3cc(Br)ccc32)C1 ZINC000263281311 1036746001 /nfs/dbraw/zinc/74/60/01/1036746001.db2.gz XHMSWFHGJRMKQJ-GHMZBOCLSA-N -1 0 349.228 3.544 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N(C2CC2)[C@H]2CCCc3ccccc32)cc1 ZINC000263325735 1036777934 /nfs/dbraw/zinc/77/79/34/1036777934.db2.gz KJWLNIQKLZZQSW-FQEVSTJZSA-N -1 0 349.430 3.996 20 0 EHADRM CC(C)[C@H](C)N(C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1)C1CC1 ZINC000263377831 1036826248 /nfs/dbraw/zinc/82/62/48/1036826248.db2.gz CFFUBSATHVFGKL-RDJZCZTQSA-N -1 0 346.471 3.681 20 0 EHADRM CC[C@H](CC(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-])c1ccc(OC)cc1 ZINC000263396933 1036853776 /nfs/dbraw/zinc/85/37/76/1036853776.db2.gz DPZGLNQSDGBFCC-OLMNPRSZSA-N -1 0 347.455 3.729 20 0 EHADRM COc1ccc(C)cc1[C@H](C)NC(=O)c1c(C)ccc(C)c1C(=O)[O-] ZINC000327999547 1036865845 /nfs/dbraw/zinc/86/58/45/1036865845.db2.gz PRBGDARAPHZEAA-AWEZNQCLSA-N -1 0 341.407 3.810 20 0 EHADRM CC(=O)N(c1ccc(NCc2cccc(C(=O)[O-])c2)cc1)[C@@H]1C[C@H]1C ZINC000263405928 1036870856 /nfs/dbraw/zinc/87/08/56/1036870856.db2.gz JSBMNPHFIGMAHC-BFUOFWGJSA-N -1 0 338.407 3.758 20 0 EHADRM O=S(=O)(Cc1ccccc1F)[N-]c1scnc1-c1ccccc1 ZINC000186637125 1036918076 /nfs/dbraw/zinc/91/80/76/1036918076.db2.gz DKDFERMGMYNSCH-UHFFFAOYSA-N -1 0 348.424 3.891 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2O)cc1C(F)(F)F ZINC000176398764 1036921508 /nfs/dbraw/zinc/92/15/08/1036921508.db2.gz DXKQYVNJYNLBKP-UHFFFAOYSA-N -1 0 331.315 3.520 20 0 EHADRM Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(OCCC(C)C)cc1 ZINC000539596813 1036949725 /nfs/dbraw/zinc/94/97/25/1036949725.db2.gz GNPSIKCHDPCBNH-UHFFFAOYSA-N -1 0 349.452 3.926 20 0 EHADRM CCCS(=O)(=O)[N-]c1nc(C)c(Cc2ccccc2Cl)s1 ZINC000539599142 1036952826 /nfs/dbraw/zinc/95/28/26/1036952826.db2.gz GMONVAZJPQNUSR-UHFFFAOYSA-N -1 0 344.889 3.847 20 0 EHADRM CCOc1ccc(CCC(=O)N[C@@H](CC(=O)[O-])C2CCCCC2)cc1 ZINC000539617055 1036985543 /nfs/dbraw/zinc/98/55/43/1036985543.db2.gz XOYKSRPFLIINPC-SFHVURJKSA-N -1 0 347.455 3.558 20 0 EHADRM CCCOc1cccc(CN=c2[n-]nc(CCc3ccccc3)o2)c1 ZINC000539693369 1037081824 /nfs/dbraw/zinc/08/18/24/1037081824.db2.gz DJJWYJZQFSYZCP-UHFFFAOYSA-N -1 0 337.423 3.678 20 0 EHADRM c1ccc(CCc2n[n-]c(=NCc3ccccc3OCC3CC3)o2)cc1 ZINC000539692833 1037084068 /nfs/dbraw/zinc/08/40/68/1037084068.db2.gz DUGNXAAYUGANAU-UHFFFAOYSA-N -1 0 349.434 3.678 20 0 EHADRM O=C([O-])c1coc(C(=O)N2CCCC[C@@H]2CCCc2ccccc2)c1 ZINC000263580101 1037172182 /nfs/dbraw/zinc/17/21/82/1037172182.db2.gz VMUVRKRQELIBGU-QGZVFWFLSA-N -1 0 341.407 3.995 20 0 EHADRM O=C([O-])CCCCNC(=O)N1CCCC[C@H]1CCCc1ccccc1 ZINC000666557177 1037209697 /nfs/dbraw/zinc/20/96/97/1037209697.db2.gz BDGAZOHFMQEGKP-SFHVURJKSA-N -1 0 346.471 3.828 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)NCCCc1cccs1)C1CCCCC1 ZINC000539828061 1037255063 /nfs/dbraw/zinc/25/50/63/1037255063.db2.gz DRARCXOYKQLBPM-SFHVURJKSA-N -1 0 337.485 3.858 20 0 EHADRM COc1ccc(CNC(=O)[C@H]2CC[C@H](C3CCC3)CC2)cc1C(=O)[O-] ZINC000659117068 1037277351 /nfs/dbraw/zinc/27/73/51/1037277351.db2.gz PSKGGIHOOFMRLZ-WKILWMFISA-N -1 0 345.439 3.616 20 0 EHADRM O=C(Nc1nccs1)c1cc(Cl)cc(Br)c1[O-] ZINC000176947226 1037295501 /nfs/dbraw/zinc/29/55/01/1037295501.db2.gz ODVLVBHOHMLXAA-UHFFFAOYSA-N -1 0 333.594 3.517 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)Cc2ccccc2C(=O)[O-])c2ccccc21 ZINC000347370054 1037299221 /nfs/dbraw/zinc/29/92/21/1037299221.db2.gz OIWGAUHBNWHYAD-GOSISDBHSA-N -1 0 337.419 3.856 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1cc2cc(Cl)ccc2s1 ZINC000659125402 1037326962 /nfs/dbraw/zinc/32/69/62/1037326962.db2.gz AHBHNWHLEUXKNE-UHFFFAOYSA-N -1 0 325.817 3.880 20 0 EHADRM Cc1noc(C)c1CNC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000177113070 1037375974 /nfs/dbraw/zinc/37/59/74/1037375974.db2.gz LXZGGSVKPSPJFR-UHFFFAOYSA-N -1 0 330.771 3.734 20 0 EHADRM C[C@H](NC(=O)C1CC2(C1)CCCCC2)c1ccc(OCC(=O)[O-])cc1 ZINC000659158269 1037383812 /nfs/dbraw/zinc/38/38/12/1037383812.db2.gz ZJSDTORNABLYFE-AWEZNQCLSA-N -1 0 345.439 3.688 20 0 EHADRM O=C(c1cccc2n[nH]nc21)N(CCc1ccccc1)c1ccccc1 ZINC000187524826 1037386226 /nfs/dbraw/zinc/38/62/26/1037386226.db2.gz QTKXPORQSCICGZ-UHFFFAOYSA-N -1 0 342.402 3.847 20 0 EHADRM Cc1cccc(C)c1[C@H]1CCCN1C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000659165617 1037396870 /nfs/dbraw/zinc/39/68/70/1037396870.db2.gz ATCXOGCWPZMMJD-GOSISDBHSA-N -1 0 337.419 3.908 20 0 EHADRM Cc1cccc(C(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)c1C ZINC000058040307 1037398013 /nfs/dbraw/zinc/39/80/13/1037398013.db2.gz FNOPKRRACHRJQK-UHFFFAOYSA-N -1 0 341.432 3.925 20 0 EHADRM CCCN(CCc1cccc(F)c1)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000177162547 1037404440 /nfs/dbraw/zinc/40/44/40/1037404440.db2.gz ZMEGOAMGHJTZGL-UHFFFAOYSA-N -1 0 337.341 3.904 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)[C@H](CC)c2ccc(F)cc2)n1 ZINC000659183229 1037436068 /nfs/dbraw/zinc/43/60/68/1037436068.db2.gz RDEQOHOSFCEDBH-CABCVRRESA-N -1 0 347.390 3.580 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3ccccc3o2)[C@H]2CCCC[C@H]12 ZINC000659190898 1037442728 /nfs/dbraw/zinc/44/27/28/1037442728.db2.gz VNVQCDPHWYDJQP-KFWWJZLASA-N -1 0 327.380 3.538 20 0 EHADRM O=C(C=Cc1ccccc1Cl)[N-]S(=O)(=O)C1CCCCC1 ZINC000058072509 1037449727 /nfs/dbraw/zinc/44/97/27/1037449727.db2.gz IHGJTEMCCQFVFQ-ZHACJKMWSA-N -1 0 327.833 3.972 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)CC(C)(C)c2ccccc2)n1 ZINC000659187468 1037452215 /nfs/dbraw/zinc/45/22/15/1037452215.db2.gz POCHDAXKKPSPIK-OAHLLOKOSA-N -1 0 343.427 3.615 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cccc(C(F)F)c2)[C@@H]2CCCC[C@H]12 ZINC000659195452 1037454718 /nfs/dbraw/zinc/45/47/18/1037454718.db2.gz XRCVYBYBIFNKLF-RBSFLKMASA-N -1 0 337.366 3.730 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(Cl)s2)[C@H]2CCCC[C@@H]12 ZINC000659192784 1037459503 /nfs/dbraw/zinc/45/95/03/1037459503.db2.gz HDVNRPAYQIRWFY-AXFHLTTASA-N -1 0 327.833 3.507 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(C3CC3)cc2)[C@@H]2CCCC[C@@H]12 ZINC000659193801 1037462298 /nfs/dbraw/zinc/46/22/98/1037462298.db2.gz QOUQNEPUOPVNBN-RCCFBDPRSA-N -1 0 327.424 3.670 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)NC[C@H](CC(=O)[O-])C2CC2)cc1 ZINC000659209938 1037479989 /nfs/dbraw/zinc/47/99/89/1037479989.db2.gz RCQDDJFRVLUVNC-JXCVUKRWSA-N -1 0 329.440 3.830 20 0 EHADRM C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)CC[C@@H]1C(=O)[O-] ZINC000659224245 1037520189 /nfs/dbraw/zinc/52/01/89/1037520189.db2.gz GCFRCYLTCSBQAT-RPTUDFQQSA-N -1 0 337.419 3.513 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000659224665 1037520814 /nfs/dbraw/zinc/52/08/14/1037520814.db2.gz YDCMWKQWKZWVDE-HYVNUMGLSA-N -1 0 347.455 3.537 20 0 EHADRM O=C([O-])c1cc(Br)cc(C(=O)Nc2ccc(F)cc2)c1 ZINC000462899019 1037527569 /nfs/dbraw/zinc/52/75/69/1037527569.db2.gz VWXMUGLFNSZZAQ-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)CCCc1csc2ccccc12 ZINC000659239036 1037556580 /nfs/dbraw/zinc/55/65/80/1037556580.db2.gz QPDLVGUCVXCGQW-VQIMIIECSA-N -1 0 345.464 3.984 20 0 EHADRM CCC[C@@H](NC(=O)CC1(C(=O)[O-])CCCCCC1)c1ccccn1 ZINC000591689762 1037559152 /nfs/dbraw/zinc/55/91/52/1037559152.db2.gz CJRKNTMBTMHXJP-MRXNPFEDSA-N -1 0 332.444 3.854 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N[C@H]3CCC[C@]3(C)C(=O)[O-])s2)o1 ZINC000659239347 1037563947 /nfs/dbraw/zinc/56/39/47/1037563947.db2.gz LAFPQMUUOFVQCV-YOEHRIQHSA-N -1 0 333.409 3.690 20 0 EHADRM Cc1ccsc1CCNC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1 ZINC000540156594 1037633765 /nfs/dbraw/zinc/63/37/65/1037633765.db2.gz UFGIEKFQRYEWRA-SFHVURJKSA-N -1 0 337.485 3.777 20 0 EHADRM CC(C)[C@@H]1CCCC[C@H]1NC(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000491755735 1037667518 /nfs/dbraw/zinc/66/75/18/1037667518.db2.gz GSDWTWNMOCUQLZ-NWDGAFQWSA-N -1 0 334.445 3.556 20 0 EHADRM CO[C@@H](C)c1nsc(=NCCCCOc2ccc(Cl)cc2)[n-]1 ZINC000509664542 1037747286 /nfs/dbraw/zinc/74/72/86/1037747286.db2.gz AIGULCOACVHBDJ-NSHDSACASA-N -1 0 341.864 3.592 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000669434089 1037814909 /nfs/dbraw/zinc/81/49/09/1037814909.db2.gz INTKJBYTPWZQIN-ZNMIVQPWSA-N -1 0 341.432 3.765 20 0 EHADRM O=C([N-]c1c(F)cccc1F)c1nc(-c2cccc(Cl)c2)no1 ZINC001212170951 1037838008 /nfs/dbraw/zinc/83/80/08/1037838008.db2.gz NMCHVSNLQDUHHR-UHFFFAOYSA-N -1 0 335.697 3.921 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)Cc2cccc3ccccc32)c2ccccc21 ZINC000669436701 1037862543 /nfs/dbraw/zinc/86/25/43/1037862543.db2.gz BWCOKHJNPLQGRF-IBGZPJMESA-N -1 0 345.398 3.987 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)/C=C\SCc1ccco1 ZINC000492031066 1037887426 /nfs/dbraw/zinc/88/74/26/1037887426.db2.gz LIWGYDQOHCYSNC-ALCCZGGFSA-N -1 0 331.393 3.980 20 0 EHADRM CN(C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1)C1CCCCC1 ZINC000669448626 1037982995 /nfs/dbraw/zinc/98/29/95/1037982995.db2.gz AJQQSHCGQHUVSH-UHFFFAOYSA-N -1 0 344.455 3.949 20 0 EHADRM O=C(NCc1ccccc1Cl)c1cccc(Br)c1[O-] ZINC000592448199 1037985802 /nfs/dbraw/zinc/98/58/02/1037985802.db2.gz WRMYDWFPAGRFIM-UHFFFAOYSA-N -1 0 340.604 3.738 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Nc1ccccc1C(F)(F)F ZINC000324238714 1037990846 /nfs/dbraw/zinc/99/08/46/1037990846.db2.gz AGZMLNXJQZWCBZ-NSHDSACASA-N -1 0 344.333 3.957 20 0 EHADRM CCSc1n[n-]c(=NC(=O)Nc2cccc(OC(C)C)c2)s1 ZINC000454201884 1038029961 /nfs/dbraw/zinc/02/99/61/1038029961.db2.gz KYBSRDADIIVRNH-UHFFFAOYSA-N -1 0 338.458 3.503 20 0 EHADRM CC(C)Oc1ccc(/C=C\C(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000492212969 1038108775 /nfs/dbraw/zinc/10/87/75/1038108775.db2.gz FOULVSXROLFBIA-XFXZXTDPSA-N -1 0 339.391 3.753 20 0 EHADRM C[C@H]1CC[C@H](C)N(C(=O)c2cc(F)cc(Br)c2[O-])C1 ZINC000416171288 1038260422 /nfs/dbraw/zinc/26/04/22/1038260422.db2.gz PENIBVQOSSLXNQ-IUCAKERBSA-N -1 0 330.197 3.554 20 0 EHADRM COc1cccc(Cc2nnc(NC(=O)c3ccc(Cl)o3)s2)c1 ZINC000107177628 1038306267 /nfs/dbraw/zinc/30/62/67/1038306267.db2.gz WVJKJXAWYXHALC-UHFFFAOYSA-N -1 0 349.799 3.636 20 0 EHADRM CC(C)c1n[n-]c(=NCc2ccc(F)c(Br)c2)s1 ZINC000538608656 1038435614 /nfs/dbraw/zinc/43/56/14/1038435614.db2.gz AHTXSZRYUPJKIY-UHFFFAOYSA-N -1 0 330.226 3.597 20 0 EHADRM CC(C)Oc1cc(F)ccc1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000538707115 1038483028 /nfs/dbraw/zinc/48/30/28/1038483028.db2.gz OIGSQWXOMSECLV-UHFFFAOYSA-N -1 0 337.391 3.977 20 0 EHADRM O=C(Nc1ccc2[nH]ccc2c1)c1cccc(Br)c1[O-] ZINC000538747535 1038511019 /nfs/dbraw/zinc/51/10/19/1038511019.db2.gz IWUVCELYMIOPEX-UHFFFAOYSA-N -1 0 331.169 3.888 20 0 EHADRM CC(C)(C(=O)[N-]OCc1ncc(Cl)cc1Cl)c1ccccc1 ZINC000183202457 1038681273 /nfs/dbraw/zinc/68/12/73/1038681273.db2.gz MWHQUJQSHNCQGD-UHFFFAOYSA-N -1 0 339.222 3.914 20 0 EHADRM CCCc1nc(=N[C@H](CC)c2nc(C(F)(F)F)cs2)s[n-]1 ZINC000461964717 1038699568 /nfs/dbraw/zinc/69/95/68/1038699568.db2.gz KZHUGCWFNQTXID-SSDOTTSWSA-N -1 0 336.408 3.951 20 0 EHADRM C/C(=C/C(=O)Nc1ccccc1-n1ccc(C(=O)[O-])n1)C(C)(C)C ZINC000236678313 1038739035 /nfs/dbraw/zinc/73/90/35/1038739035.db2.gz JWOZROPKFXQTKC-QXMHVHEDSA-N -1 0 327.384 3.501 20 0 EHADRM Fc1ccc(-c2nc(CN=c3[n-]nc(C4CC4)s3)cs2)cc1 ZINC000554007727 1038781625 /nfs/dbraw/zinc/78/16/25/1038781625.db2.gz MNLVPZGPIFQYMB-UHFFFAOYSA-N -1 0 332.429 3.712 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CC[C@@H]2CCc3ccccc32)[C@@H]2CCC[C@@H]21 ZINC000910249434 1038786281 /nfs/dbraw/zinc/78/62/81/1038786281.db2.gz WGPGUTSDUBQDGJ-JCHJZTRSSA-N -1 0 341.451 3.598 20 0 EHADRM CC[C@H]1C[C@@H](C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CCO1 ZINC000910247974 1038787716 /nfs/dbraw/zinc/78/77/16/1038787716.db2.gz QFNKCDCZPXPJJC-STQMWFEESA-N -1 0 327.380 3.682 20 0 EHADRM CC1=C(c2ccco2)CN(C(=O)c2ccccc2CCC(=O)[O-])CC1 ZINC000910252626 1038789055 /nfs/dbraw/zinc/78/90/55/1038789055.db2.gz VOFUHABNZDRQRN-UHFFFAOYSA-N -1 0 339.391 3.616 20 0 EHADRM Cc1nc(C(F)(F)F)c(CN(C)[C@@H](C(=O)[O-])c2ccccc2)s1 ZINC000905372214 1038849246 /nfs/dbraw/zinc/84/92/46/1038849246.db2.gz IHMNDYJHAFMBEA-GFCCVEGCSA-N -1 0 344.358 3.728 20 0 EHADRM CCCc1ccc([C@H](NC(=O)CCC(=O)[O-])c2cccs2)cc1 ZINC000554070260 1038853558 /nfs/dbraw/zinc/85/35/58/1038853558.db2.gz NWCSOPBPMJSSFW-SFHVURJKSA-N -1 0 331.437 3.771 20 0 EHADRM Cc1cccc([C@@H](NCc2nc(C(F)(F)F)cs2)C(=O)[O-])c1C ZINC000905401399 1038857614 /nfs/dbraw/zinc/85/76/14/1038857614.db2.gz RKWCWBYFDYWCMG-CYBMUJFWSA-N -1 0 344.358 3.694 20 0 EHADRM COc1ccccc1[C@@H]1CCCN(C(=O)C(C)(C)CCC(=O)[O-])CC1 ZINC000910364745 1038861800 /nfs/dbraw/zinc/86/18/00/1038861800.db2.gz MRUFJSUXBZOAIW-OAHLLOKOSA-N -1 0 347.455 3.682 20 0 EHADRM CC[C@@H](C)CS(=O)(=O)[N-][C@H](CCc1ccccc1)C(F)(F)F ZINC000479892922 1038871883 /nfs/dbraw/zinc/87/18/83/1038871883.db2.gz OUHKFGHHCULOOV-TZMCWYRMSA-N -1 0 337.407 3.516 20 0 EHADRM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1ccccc1Cl)c1ccsc1 ZINC000910404680 1038886467 /nfs/dbraw/zinc/88/64/67/1038886467.db2.gz YIOFWMKKPVKDKH-QMTHXVAHSA-N -1 0 337.828 3.837 20 0 EHADRM O=C([O-])C1CCC(Nc2ccnc(CSc3ccccc3)n2)CC1 ZINC000910411118 1038900267 /nfs/dbraw/zinc/90/02/67/1038900267.db2.gz QPSKFIFEUXBCBB-UHFFFAOYSA-N -1 0 343.452 3.824 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(C3CC3)c2)c1 ZINC000568900936 1038923100 /nfs/dbraw/zinc/92/31/00/1038923100.db2.gz HRZZJMUHXVAFKE-GOSISDBHSA-N -1 0 339.391 3.518 20 0 EHADRM COc1cc(Br)cc(NC2CCC(C(=O)[O-])CC2)c1 ZINC000261651462 1038939355 /nfs/dbraw/zinc/93/93/55/1038939355.db2.gz YEULCJIIHOGFHK-UHFFFAOYSA-N -1 0 328.206 3.513 20 0 EHADRM CCCCOc1ccc(F)cc1Nc1cccc(S(=O)(=O)[O-])c1 ZINC001211718791 1038987594 /nfs/dbraw/zinc/98/75/94/1038987594.db2.gz HJUOHPQBCHMHER-UHFFFAOYSA-N -1 0 339.388 3.995 20 0 EHADRM CCCCN(C(=O)c1cncc(C(=O)[O-])c1)[C@@H](C)c1ccc(C)o1 ZINC000910624052 1038990212 /nfs/dbraw/zinc/99/02/12/1038990212.db2.gz NEHHTUGJGULRRX-ZDUSSCGKSA-N -1 0 330.384 3.685 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)Nc1cc(C)n(C2CCCCC2)n1 ZINC000910666262 1039009350 /nfs/dbraw/zinc/00/93/50/1039009350.db2.gz RUMPWDVJNYKLMD-UHFFFAOYSA-N -1 0 331.372 3.549 20 0 EHADRM O=S(=O)([N-]c1cccc2c1OCO2)c1ccc(Cl)cc1Cl ZINC000485394567 1039020860 /nfs/dbraw/zinc/02/08/60/1039020860.db2.gz IODZCJDTTZWIFY-UHFFFAOYSA-N -1 0 346.191 3.523 20 0 EHADRM CCO[C@H](C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1)c1ccccc1 ZINC000910699862 1039024892 /nfs/dbraw/zinc/02/48/92/1039024892.db2.gz SICWAMHQBHAAMR-ZDUSSCGKSA-N -1 0 348.424 3.681 20 0 EHADRM CCOCCC1(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)CCC1 ZINC000910706261 1039026984 /nfs/dbraw/zinc/02/69/84/1039026984.db2.gz QLDLLKCUUGZIQM-UHFFFAOYSA-N -1 0 340.445 3.500 20 0 EHADRM CN(C(=O)N=c1[n-]nc(C(C)(C)c2ccccc2)s1)[C@H]1CC1(C)C ZINC000488284299 1039036706 /nfs/dbraw/zinc/03/67/06/1039036706.db2.gz VNHKUXPAMIINLN-ZDUSSCGKSA-N -1 0 344.484 3.548 20 0 EHADRM Cc1cccc(CCC(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)c1 ZINC000910734631 1039041558 /nfs/dbraw/zinc/04/15/58/1039041558.db2.gz HYTHNYFQAFYOSA-UHFFFAOYSA-N -1 0 330.409 3.598 20 0 EHADRM CCC(CC)n1ccc(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)n1 ZINC000910739995 1039049214 /nfs/dbraw/zinc/04/92/14/1039049214.db2.gz FOQPLXHUHCJVFG-UHFFFAOYSA-N -1 0 348.428 3.529 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)/C=C\C2CCCC2)nc1C(=O)[O-] ZINC000910717686 1039055045 /nfs/dbraw/zinc/05/50/45/1039055045.db2.gz FSEVOVVZMVUTIS-YXVBKTCISA-N -1 0 334.441 3.560 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)C2CCC=CCC2)nc1C(=O)[O-] ZINC000910718615 1039055918 /nfs/dbraw/zinc/05/59/18/1039055918.db2.gz AKHIJDAPRLAFAK-CYBMUJFWSA-N -1 0 334.441 3.560 20 0 EHADRM CC(C)Oc1ccccc1CNc1ccc2cnn(CC(=O)[O-])c2c1 ZINC000905751052 1039057681 /nfs/dbraw/zinc/05/76/81/1039057681.db2.gz IANRNJNWULOYLS-UHFFFAOYSA-N -1 0 339.395 3.520 20 0 EHADRM CC(C)[C@@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])CC1 ZINC000500613730 1039063177 /nfs/dbraw/zinc/06/31/77/1039063177.db2.gz WUQFXQFXVATTMA-CQSZACIVSA-N -1 0 345.418 3.615 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1oc(CC(C)C)nc1C ZINC000910957527 1039156900 /nfs/dbraw/zinc/15/69/00/1039156900.db2.gz AUSZXCKNYFADMU-UHFFFAOYSA-N -1 0 330.384 3.694 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1oc2c(c1C)C(=O)CCC2 ZINC000910961078 1039160384 /nfs/dbraw/zinc/16/03/84/1039160384.db2.gz RAPLJZNOAIUBDP-UHFFFAOYSA-N -1 0 341.363 3.620 20 0 EHADRM CCN(C(=O)C[C@@]12CCCC[C@@H]1C2(F)F)c1cccc(C(=O)[O-])c1 ZINC000910966673 1039164363 /nfs/dbraw/zinc/16/43/63/1039164363.db2.gz HSNXPMSDIMGBAB-YOEHRIQHSA-N -1 0 337.366 3.953 20 0 EHADRM CCN(C(=O)c1noc2c1CC(C)(C)CC2)c1cccc(C(=O)[O-])c1 ZINC000910968599 1039172155 /nfs/dbraw/zinc/17/21/55/1039172155.db2.gz FNVBAVOWOCPRMQ-UHFFFAOYSA-N -1 0 342.395 3.554 20 0 EHADRM CCNc1ccc(C(=O)[O-])cc1NC(=O)c1sc(C(C)C)nc1C ZINC000911082231 1039213917 /nfs/dbraw/zinc/21/39/17/1039213917.db2.gz FBLDEBQBYBFQFL-UHFFFAOYSA-N -1 0 347.440 3.957 20 0 EHADRM Cc1c(Cl)cccc1N=c1[n-]nc(SCC(C)(C)O)s1 ZINC000488495525 1039215007 /nfs/dbraw/zinc/21/50/07/1039215007.db2.gz QSPRHWBZNPKCNP-UHFFFAOYSA-N -1 0 329.878 3.528 20 0 EHADRM O=C(c1cccc(Br)c1[O-])N1CCC2(CCCC2)CC1 ZINC000552371952 1039232636 /nfs/dbraw/zinc/23/26/36/1039232636.db2.gz GCHPXHDURPYPGI-UHFFFAOYSA-N -1 0 338.245 3.951 20 0 EHADRM CCCCC[C@H](NC(=O)c1cc(Br)ccc1C)C(=O)[O-] ZINC000236666677 1039235446 /nfs/dbraw/zinc/23/54/46/1039235446.db2.gz JRQAGGNWNXRYRL-ZDUSSCGKSA-N -1 0 342.233 3.521 20 0 EHADRM CCCCCC[C@](C)(NC(=O)Cc1c(C)[nH]c2ccccc21)C(=O)[O-] ZINC000236722257 1039243848 /nfs/dbraw/zinc/24/38/48/1039243848.db2.gz JNQFKEUUPRHHKM-FQEVSTJZSA-N -1 0 344.455 3.949 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCC=C(c2ccccn2)C1 ZINC000552386841 1039255562 /nfs/dbraw/zinc/25/55/62/1039255562.db2.gz INVIISPCADLEHK-UHFFFAOYSA-N -1 0 332.762 3.509 20 0 EHADRM CCC(CC)(CC(=O)Nc1cc(-c2ncco2)ccc1C)C(=O)[O-] ZINC000236880865 1039273419 /nfs/dbraw/zinc/27/34/19/1039273419.db2.gz AULRKXLKSXPKMI-UHFFFAOYSA-N -1 0 330.384 3.870 20 0 EHADRM O=C(Nc1ccc2oc(CO)cc2c1)c1cc(F)cc(Cl)c1[O-] ZINC000552424541 1039274871 /nfs/dbraw/zinc/27/48/71/1039274871.db2.gz FPFWEFFVDBMDMZ-UHFFFAOYSA-N -1 0 335.718 3.676 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000237002694 1039292274 /nfs/dbraw/zinc/29/22/74/1039292274.db2.gz NPIBJWOAKKLXPY-RTGRKSDTSA-N -1 0 331.412 3.851 20 0 EHADRM CN(C(=O)N=c1[n-]nc(-c2cc3ccccc3o2)s1)[C@H]1CC1(C)C ZINC000488705490 1039339375 /nfs/dbraw/zinc/33/93/75/1039339375.db2.gz VYOGHOIHFKVTIE-ZDUSSCGKSA-N -1 0 342.424 3.635 20 0 EHADRM O=C([O-])c1cc(NC(CCC(F)(F)F)CCC(F)(F)F)ncn1 ZINC000906148610 1039342626 /nfs/dbraw/zinc/34/26/26/1039342626.db2.gz LMKPIJPHLUYMIW-UHFFFAOYSA-N -1 0 345.243 3.640 20 0 EHADRM CCO[C@H](CCNC(=O)c1cccc(Cl)c1[O-])C1CCCC1 ZINC001126835220 1039351970 /nfs/dbraw/zinc/35/19/70/1039351970.db2.gz ZSSOZEKJQQYFFT-OAHLLOKOSA-N -1 0 325.836 3.761 20 0 EHADRM Cc1cc(F)ccc1[C@H]1CCCN1C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000911400740 1039353594 /nfs/dbraw/zinc/35/35/94/1039353594.db2.gz YOSDLIUBRKJGKP-CXOKCQFOSA-N -1 0 343.354 3.802 20 0 EHADRM Cc1ccccc1C(NC(=O)[C@@H](C)CC(=O)[O-])c1ccccc1C ZINC000911489408 1039387662 /nfs/dbraw/zinc/38/76/62/1039387662.db2.gz BXPRPRODGNQPBW-HNNXBMFYSA-N -1 0 325.408 3.620 20 0 EHADRM Cc1ccc(CCC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000324362124 1039396593 /nfs/dbraw/zinc/39/65/93/1039396593.db2.gz IJMLKABRFAMPIY-UHFFFAOYSA-N -1 0 345.826 3.938 20 0 EHADRM CC(C)c1csc(CNC(=O)c2cc(C(=O)[O-])ccc2Cl)n1 ZINC000911512845 1039400593 /nfs/dbraw/zinc/40/05/93/1039400593.db2.gz VTZPMPVBZDUCDN-UHFFFAOYSA-N -1 0 338.816 3.548 20 0 EHADRM Cc1cc(C)n(Cc2ccc(-c3cn(C(C)C)nc3C(=O)[O-])cc2)n1 ZINC000906245907 1039405854 /nfs/dbraw/zinc/40/58/54/1039405854.db2.gz OGWFRXZTMNEKOH-UHFFFAOYSA-N -1 0 338.411 3.691 20 0 EHADRM Cc1ccc(CC(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC000237670951 1039407426 /nfs/dbraw/zinc/40/74/26/1039407426.db2.gz XXPALQYIIFQFOW-INIZCTEOSA-N -1 0 349.789 3.662 20 0 EHADRM Cc1c2cccc(Cl)c2oc1C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000237813372 1039445821 /nfs/dbraw/zinc/44/58/21/1039445821.db2.gz OWUGESMWLZTPOX-UHFFFAOYSA-N -1 0 333.727 3.616 20 0 EHADRM CCCc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccncc2)ccc1Cl ZINC000911665223 1039447041 /nfs/dbraw/zinc/44/70/41/1039447041.db2.gz ZZCWOALCYNDJNW-MRXNPFEDSA-N -1 0 346.814 3.633 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccnn2CCC(C)C)sc1Cl ZINC000570273123 1039448970 /nfs/dbraw/zinc/44/89/70/1039448970.db2.gz HYGIGWYAUJWAAX-UHFFFAOYSA-N -1 0 347.893 3.753 20 0 EHADRM CC(C)Sc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccncc2)cc1 ZINC000911658582 1039452431 /nfs/dbraw/zinc/45/24/31/1039452431.db2.gz FCBUIQODHWGIJW-MRXNPFEDSA-N -1 0 344.436 3.528 20 0 EHADRM Cc1cc(F)c(NC(=O)CCO[C@@H](C)CC(C)C)cc1C(=O)[O-] ZINC000911680731 1039455524 /nfs/dbraw/zinc/45/55/24/1039455524.db2.gz FVTHFEPWCNNSNJ-LBPRGKRZSA-N -1 0 325.380 3.612 20 0 EHADRM Cn1ccnc1[C@@H](N=c1nc(-c2ccccc2)[n-]s1)c1ccccc1 ZINC000552697137 1039460745 /nfs/dbraw/zinc/46/07/45/1039460745.db2.gz SYPPBEJKUVNEFJ-INIZCTEOSA-N -1 0 347.447 3.562 20 0 EHADRM CC(C)Oc1c(NC(=O)[C@@H](C)Cc2ccccc2)cccc1C(=O)[O-] ZINC000911738088 1039479218 /nfs/dbraw/zinc/47/92/18/1039479218.db2.gz ODSDZPNHBZMYQG-AWEZNQCLSA-N -1 0 341.407 3.989 20 0 EHADRM O=C([O-])CCCCCCNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000238120942 1039494106 /nfs/dbraw/zinc/49/41/06/1039494106.db2.gz LJALPTPCQFFHBR-VXGBXAGGSA-N -1 0 341.810 3.734 20 0 EHADRM CC(C)n1ccc(CNC(=O)c2cc(Cc3ccccc3)ccc2O)n1 ZINC000554586091 1039495829 /nfs/dbraw/zinc/49/58/29/1039495829.db2.gz QJRMEZUZSSQOOR-UHFFFAOYSA-N -1 0 349.434 3.690 20 0 EHADRM O=C([O-])C1(CNC(=O)CSc2ccccc2Cl)CCCCC1 ZINC000318918781 1039497339 /nfs/dbraw/zinc/49/73/39/1039497339.db2.gz MWTCFUJNZNKLEX-UHFFFAOYSA-N -1 0 341.860 3.583 20 0 EHADRM Fc1cccc(N=c2[n-]nc(SCCOC3CCCC3)s2)c1 ZINC000431929296 1039522925 /nfs/dbraw/zinc/52/29/25/1039522925.db2.gz YLTNVFUQDYUZQI-UHFFFAOYSA-N -1 0 339.461 3.894 20 0 EHADRM CCCc1cccc(CN=c2[n-]nc(CCOc3ccccc3)o2)c1 ZINC000478622792 1039577664 /nfs/dbraw/zinc/57/76/64/1039577664.db2.gz NLTLZDNVHCETQH-UHFFFAOYSA-N -1 0 337.423 3.678 20 0 EHADRM CO[C@@H](C)c1nc(=NCc2ccc(-c3csc(C)n3)cc2)s[n-]1 ZINC000554686563 1039586983 /nfs/dbraw/zinc/58/69/83/1039586983.db2.gz KZHRUNMDVZJYMP-JTQLQIEISA-N -1 0 346.481 3.711 20 0 EHADRM CC(C)(C)OC1CC(CC(=O)N=c2nc(-c3ccccc3)[n-]s2)C1 ZINC000489058626 1039598777 /nfs/dbraw/zinc/59/87/77/1039598777.db2.gz FCVSHZKHVFRAFI-UHFFFAOYSA-N -1 0 345.468 3.549 20 0 EHADRM COc1cc(C)cc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])c1 ZINC001211729781 1039635014 /nfs/dbraw/zinc/63/50/14/1039635014.db2.gz GSDWZZSZMYIFPO-UHFFFAOYSA-N -1 0 327.789 3.647 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c(C)cc1C ZINC000478709651 1039647604 /nfs/dbraw/zinc/64/76/04/1039647604.db2.gz HXGZMZQYHWHQSN-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM CC[C@H](C)c1ncc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cn1 ZINC000478712267 1039649533 /nfs/dbraw/zinc/64/95/33/1039649533.db2.gz WUNWXLWJLZKCJO-LBPRGKRZSA-N -1 0 333.457 3.716 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c(C)cc1C ZINC000478715847 1039651391 /nfs/dbraw/zinc/65/13/91/1039651391.db2.gz AWDUXCYZYKXRRB-UHFFFAOYSA-N -1 0 345.342 3.530 20 0 EHADRM CC[C@@H](C(=O)[O-])[S@@](=O)Cc1nc(-c2ccccc2Cl)cs1 ZINC000570375561 1039717576 /nfs/dbraw/zinc/71/75/76/1039717576.db2.gz AEVPWRDWRVVKAK-QKVFXAPYSA-N -1 0 343.857 3.575 20 0 EHADRM CCOc1ccc(CN=c2[n-]nc(CC3CCCCC3)o2)cc1F ZINC000485955325 1039736676 /nfs/dbraw/zinc/73/66/76/1039736676.db2.gz KLEVSINUICXCLB-UHFFFAOYSA-N -1 0 333.407 3.764 20 0 EHADRM O=C([O-])c1ccc2oc(/C=C/c3cc(-n4ccnc4)cs3)nc2c1 ZINC000485974371 1039739668 /nfs/dbraw/zinc/73/96/68/1039739668.db2.gz HJARVMSSDIGFNQ-DUXPYHPUSA-N -1 0 337.360 3.944 20 0 EHADRM Cc1cccc(CO[N-]C(=O)[C@H](OC2CCCC2)c2ccccc2)n1 ZINC000898935069 1039739856 /nfs/dbraw/zinc/73/98/56/1039739856.db2.gz DNNHHNBMABOJJN-LJQANCHMSA-N -1 0 340.423 3.638 20 0 EHADRM CO[C@@H](C)c1nsc(NC(=O)c2cc(Cl)cc(Cl)c2[O-])n1 ZINC000898937975 1039745263 /nfs/dbraw/zinc/74/52/63/1039745263.db2.gz BBKIWSPHWCVWLU-YFKPBYRVSA-N -1 0 348.211 3.510 20 0 EHADRM O=C([O-])c1cccc2oc(/C=C/c3ccnn3-c3ccccc3)nc21 ZINC000485982943 1039749770 /nfs/dbraw/zinc/74/97/70/1039749770.db2.gz LHUCPMJMJKBKON-MDZDMXLPSA-N -1 0 331.331 3.882 20 0 EHADRM O=C(N=c1nc(-c2ccccc2)[n-]s1)N(CC1CC1)CC1CCC1 ZINC000478931960 1039838722 /nfs/dbraw/zinc/83/87/22/1039838722.db2.gz USXZJXWAKQBNGB-UHFFFAOYSA-N -1 0 342.468 3.671 20 0 EHADRM O=C(Nc1nc(Cl)ccc1O)c1sccc1Br ZINC000188351553 1039932121 /nfs/dbraw/zinc/93/21/21/1039932121.db2.gz LCUBYZGNORXILA-UHFFFAOYSA-N -1 0 333.594 3.517 20 0 EHADRM C[C@H](OCc1ccccc1)C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000163612721 1039935846 /nfs/dbraw/zinc/93/58/46/1039935846.db2.gz WHSGCWHVDBRTMC-NSHDSACASA-N -1 0 328.393 3.660 20 0 EHADRM C[C@H](Cc1ccc(NCc2cnc([C@@H]3CCCO3)s2)cc1)C(=O)[O-] ZINC000417610887 1040064789 /nfs/dbraw/zinc/06/47/89/1040064789.db2.gz ODDKNYMVSJVEDB-WBMJQRKESA-N -1 0 346.452 3.870 20 0 EHADRM CCCOc1ccc(C(=O)[O-])cc1NCc1ccc([S@@](C)=O)cc1 ZINC000417617237 1040068344 /nfs/dbraw/zinc/06/83/44/1040068344.db2.gz ZZGPOMKYRFVPMI-XMMPIXPASA-N -1 0 347.436 3.523 20 0 EHADRM O=C(Nc1ccnn1-c1cccc(Cl)c1)c1cccc(F)c1[O-] ZINC001125910325 1040074997 /nfs/dbraw/zinc/07/49/97/1040074997.db2.gz DHYNSGLWFZLGJE-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM C[C@H](N=c1nc(C(C)(C)C)[n-]s1)c1ccc(Br)cn1 ZINC000480848635 1040088154 /nfs/dbraw/zinc/08/81/54/1040088154.db2.gz DIZBHRLUQCMXPL-QMMMGPOBSA-N -1 0 341.278 3.588 20 0 EHADRM CC(C)(C)c1cnc(CN[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC000417631884 1040092107 /nfs/dbraw/zinc/09/21/07/1040092107.db2.gz SJFSAAUWHQLYLS-ZIAGYGMSSA-N -1 0 330.453 3.843 20 0 EHADRM CCC1(CN=c2[n-]nc(-c3ccccc3Cl)s2)CCOCC1 ZINC000555047924 1040092533 /nfs/dbraw/zinc/09/25/33/1040092533.db2.gz ZXAOXXBDBZUNFE-UHFFFAOYSA-N -1 0 337.876 3.899 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1cc(C2CC2)oc1C1CC1 ZINC000907549948 1040094423 /nfs/dbraw/zinc/09/44/23/1040094423.db2.gz JXSXTGTZWOBCFD-UHFFFAOYSA-N -1 0 337.375 3.936 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)c2cc(C3CC3)oc2C2CC2)c1 ZINC000907581603 1040102109 /nfs/dbraw/zinc/10/21/09/1040102109.db2.gz LTGKSPBJNDGVQK-UHFFFAOYSA-N -1 0 341.363 3.750 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccnc(-c3ccccc3)c2)c1 ZINC000479303478 1040105905 /nfs/dbraw/zinc/10/59/05/1040105905.db2.gz BAFJWYRQBARLFK-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM CCOc1cccc(CNc2ccc(S[C@@H](C)C(=O)[O-])cc2)n1 ZINC000417644274 1040107103 /nfs/dbraw/zinc/10/71/03/1040107103.db2.gz BTECOJVJHACGJO-LBPRGKRZSA-N -1 0 332.425 3.658 20 0 EHADRM CC1(CCC(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)(F)F)CC1 ZINC000907716185 1040143704 /nfs/dbraw/zinc/14/37/04/1040143704.db2.gz AVIWFKUAHLOYTQ-UHFFFAOYSA-N -1 0 345.317 3.845 20 0 EHADRM Cc1oc(C(C)(C)C)cc1C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC000907735506 1040152624 /nfs/dbraw/zinc/15/26/24/1040152624.db2.gz KIFMTWKNEPQJCK-IPYPFGDCSA-N -1 0 333.428 3.601 20 0 EHADRM O=C([O-])[C@]1(C(=O)N2C[C@@H]3CC[C@H]2c2ccccc23)C[C@H]1c1ccccc1 ZINC000907760161 1040156939 /nfs/dbraw/zinc/15/69/39/1040156939.db2.gz FTHVASWYRFMLAC-SXTKRDDTSA-N -1 0 347.414 3.706 20 0 EHADRM CCCCc1nc(=O)c2sc(-c3ccc4c(c3)OCO4)cc2[n-]1 ZINC000614113284 1040165026 /nfs/dbraw/zinc/16/50/26/1040165026.db2.gz MXEUKBPQMMGRCT-UHFFFAOYSA-N -1 0 328.393 3.723 20 0 EHADRM Fc1cc(CN=c2[n-]nc(C(F)(F)F)s2)c(F)cc1Cl ZINC000432917338 1040186736 /nfs/dbraw/zinc/18/67/36/1040186736.db2.gz KRGAIAPBYARHRA-UHFFFAOYSA-N -1 0 329.681 3.523 20 0 EHADRM CCc1nc(=N[C@H]2CSc3ccc(Br)cc32)s[n-]1 ZINC000486499202 1040192660 /nfs/dbraw/zinc/19/26/60/1040192660.db2.gz PDWMYSMUCWNTIQ-VIFPVBQESA-N -1 0 342.287 3.544 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@H]23)cc1 ZINC000907951551 1040244051 /nfs/dbraw/zinc/24/40/51/1040244051.db2.gz GQYZZGKHFRSQKN-NUBKLNGGSA-N -1 0 343.467 3.604 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2cc(-c3ccoc3C)on2)cc1 ZINC000486565267 1040249162 /nfs/dbraw/zinc/24/91/62/1040249162.db2.gz WHBROWNQRRBWDF-UHFFFAOYSA-N -1 0 346.408 3.996 20 0 EHADRM Cc1ccccc1[C@H](CC(C)C)NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000668642267 1040268924 /nfs/dbraw/zinc/26/89/24/1040268924.db2.gz UDKGMZXGGZNSMW-HNNXBMFYSA-N -1 0 339.395 3.754 20 0 EHADRM O=C([O-])c1ccc2c(c1)N(C(=O)c1coc(C3CCCCC3)n1)CC2 ZINC000908064096 1040283282 /nfs/dbraw/zinc/28/32/82/1040283282.db2.gz VTEPSIIMBAXQEC-UHFFFAOYSA-N -1 0 340.379 3.623 20 0 EHADRM CCCc1cc(C(=O)N(C)c2cccc(CC(=O)[O-])c2)sc1C ZINC000908074225 1040287643 /nfs/dbraw/zinc/28/76/43/1040287643.db2.gz UDXMGQCNFKAFGN-UHFFFAOYSA-N -1 0 331.437 3.913 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)N(C)c1cccc(CC(=O)[O-])c1 ZINC000908079279 1040290490 /nfs/dbraw/zinc/29/04/90/1040290490.db2.gz WRJHCTSCKYFEIZ-UHFFFAOYSA-N -1 0 346.452 3.653 20 0 EHADRM CCOc1cc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])ccc1C ZINC000899310192 1040296223 /nfs/dbraw/zinc/29/62/23/1040296223.db2.gz CDVDOPXFAKENCO-HNNXBMFYSA-N -1 0 334.416 3.645 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)Cc1cccc(C(=O)[O-])c1)C(C)(C)C ZINC000908118824 1040298157 /nfs/dbraw/zinc/29/81/57/1040298157.db2.gz FLKNJFMQBJDLQP-GOSISDBHSA-N -1 0 340.423 3.534 20 0 EHADRM CCCC[C@@H](CC)CC(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC000908165190 1040313802 /nfs/dbraw/zinc/31/38/02/1040313802.db2.gz LUZPZTRNQKDVJW-XYSPPFBYSA-N -1 0 341.517 3.838 20 0 EHADRM CCCC[C@H](CC)CC(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC000908165191 1040314681 /nfs/dbraw/zinc/31/46/81/1040314681.db2.gz LUZPZTRNQKDVJW-YOFIQYCBSA-N -1 0 341.517 3.838 20 0 EHADRM COc1cc(C)c(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c(C)c1C ZINC000899313612 1040314821 /nfs/dbraw/zinc/31/48/21/1040314821.db2.gz OAHVKFNTVMLUSW-OAHLLOKOSA-N -1 0 348.443 3.872 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cnc(-c3ccsc3)s2)c(F)c1 ZINC000479488455 1040319967 /nfs/dbraw/zinc/31/99/67/1040319967.db2.gz QCRRAOHHWQONRI-UHFFFAOYSA-N -1 0 348.380 3.961 20 0 EHADRM CSCCc1ccc([N-]S(=O)(=O)c2c(C)cccc2F)cc1 ZINC000479516290 1040336299 /nfs/dbraw/zinc/33/62/99/1040336299.db2.gz KBPCYFATHZKGDP-UHFFFAOYSA-N -1 0 339.457 3.840 20 0 EHADRM Fc1ccccc1[C@H]1CC[C@@H](N=c2[n-]nc(C(F)(F)F)s2)C1 ZINC000481090167 1040343773 /nfs/dbraw/zinc/34/37/73/1040343773.db2.gz LYMOUOWNETYOFT-DTWKUNHWSA-N -1 0 331.338 3.866 20 0 EHADRM CO[C@@H](C)c1nc(=NCC(F)(F)c2ccc(Cl)cc2)s[n-]1 ZINC000553724508 1040370753 /nfs/dbraw/zinc/37/07/53/1040370753.db2.gz PSPAZDXSWIXYDJ-QMMMGPOBSA-N -1 0 333.791 3.525 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)[C@H]2CCSc3ccccc32)CCC1 ZINC000908337050 1040399336 /nfs/dbraw/zinc/39/93/36/1040399336.db2.gz SPYBRZHBXSVOPN-HNNXBMFYSA-N -1 0 347.480 3.807 20 0 EHADRM Cc1cc2c(CC(=O)N[C@@H]3CC[C@H](CC(=O)[O-])C3)csc2s1 ZINC000908376853 1040420542 /nfs/dbraw/zinc/42/05/42/1040420542.db2.gz WYFZZUORPKPMGS-CMPLNLGQSA-N -1 0 337.466 3.573 20 0 EHADRM CCOc1ccc2ccccc2c1C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1 ZINC000908387132 1040420706 /nfs/dbraw/zinc/42/07/06/1040420706.db2.gz IJNNBRUHAVHYRY-DZGCQCFKSA-N -1 0 341.407 3.612 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c(F)c1 ZINC000479593937 1040433588 /nfs/dbraw/zinc/43/35/88/1040433588.db2.gz NGHHQRBROQCOHO-NWDGAFQWSA-N -1 0 333.746 3.920 20 0 EHADRM CCCc1c(C)[n-]n(-c2nc(C(F)(F)F)nc3ccccc32)c1=O ZINC000614186218 1040444795 /nfs/dbraw/zinc/44/47/95/1040444795.db2.gz WEAHONCUXGHPTM-JTQLQIEISA-N -1 0 336.317 3.787 20 0 EHADRM CCc1cc(C(=O)N=c2[n-]nc(/C=C/c3ccco3)s2)oc1CC ZINC000490278041 1040473594 /nfs/dbraw/zinc/47/35/94/1040473594.db2.gz XFRXHYUDVREYMP-BQYQJAHWSA-N -1 0 343.408 3.694 20 0 EHADRM CC(C)(CC(=O)N(CCC(=O)[O-])Cc1ccccc1)CC(F)F ZINC000908580163 1040510506 /nfs/dbraw/zinc/51/05/06/1040510506.db2.gz UVSSMVISPLSERY-UHFFFAOYSA-N -1 0 327.371 3.561 20 0 EHADRM COc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1C1CC1 ZINC000908642213 1040550431 /nfs/dbraw/zinc/55/04/31/1040550431.db2.gz QESGGLUAIPFSIV-AWEZNQCLSA-N -1 0 345.420 3.580 20 0 EHADRM C[C@@H]1CCC[C@@H](N(C)C(=O)N=c2[n-]nc(/C=C/c3ccco3)s2)C1 ZINC000486922415 1040555431 /nfs/dbraw/zinc/55/54/31/1040555431.db2.gz AWWFGXBBOBXZOK-RYYBZQDPSA-N -1 0 346.456 3.766 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Cc1cccc(C(F)F)c1)c1cccs1 ZINC000908641659 1040569716 /nfs/dbraw/zinc/56/97/16/1040569716.db2.gz JREXETWYVGKBSC-LBPRGKRZSA-N -1 0 339.363 3.560 20 0 EHADRM Cc1cnc(C(=O)Nc2cnn(CCC(C)C)c2C(C)C)c([O-])c1 ZINC000490531740 1040582787 /nfs/dbraw/zinc/58/27/87/1040582787.db2.gz QKUUWCPDISIJIA-UHFFFAOYSA-N -1 0 330.432 3.714 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)N[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000486970980 1040593188 /nfs/dbraw/zinc/59/31/88/1040593188.db2.gz RVYHGOZZRSTGAV-SJORKVTESA-N -1 0 336.439 3.624 20 0 EHADRM CN(Cc1ccc(Cl)s1)C(=O)c1ccccc1CCC(=O)[O-] ZINC000908700197 1040595705 /nfs/dbraw/zinc/59/57/05/1040595705.db2.gz JCFIOUWQYNIIHG-UHFFFAOYSA-N -1 0 337.828 3.691 20 0 EHADRM CC(C)C[C@@H]1CCCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000500153701 1040611350 /nfs/dbraw/zinc/61/13/50/1040611350.db2.gz ZEIJDIRHERBPHD-INIZCTEOSA-N -1 0 345.418 3.758 20 0 EHADRM O=C([O-])C12CCC(C(=O)NCCc3csc4ccccc34)(CC1)C2 ZINC000908742002 1040621553 /nfs/dbraw/zinc/62/15/53/1040621553.db2.gz KIJZVUOXNPZFJO-UHFFFAOYSA-N -1 0 343.448 3.595 20 0 EHADRM COc1cccc(Cc2n[n-]c(=NCc3ccc(C)c(Cl)c3)o2)c1 ZINC000479788777 1040626285 /nfs/dbraw/zinc/62/62/85/1040626285.db2.gz ZXQHZCORPBHDGR-UHFFFAOYSA-N -1 0 343.814 3.665 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@H](CC)c2ccc(Cl)s2)s1 ZINC000512715973 1040628417 /nfs/dbraw/zinc/62/84/17/1040628417.db2.gz LBYNMOPBDGUREQ-MRVPVSSYSA-N -1 0 344.893 3.900 20 0 EHADRM O=C([O-])Cc1occc1C(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000908772743 1040630004 /nfs/dbraw/zinc/63/00/04/1040630004.db2.gz UWQLARVAAJUIIQ-UHFFFAOYSA-N -1 0 342.395 3.904 20 0 EHADRM O=C(c1cc(Br)cc(F)c1[O-])N1CC=CC12CCCC2 ZINC000913195978 1040637952 /nfs/dbraw/zinc/63/79/52/1040637952.db2.gz JTLZIULCGJKLIP-UHFFFAOYSA-N -1 0 340.192 3.619 20 0 EHADRM CCC[C@H]1[C@@H](C)CCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000500159443 1040640173 /nfs/dbraw/zinc/64/01/73/1040640173.db2.gz UXRLOUFITDMDCR-BBRMVZONSA-N -1 0 345.418 3.758 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000908782966 1040647354 /nfs/dbraw/zinc/64/73/54/1040647354.db2.gz KULJXTKIPFVBGJ-KRWDZBQOSA-N -1 0 347.798 3.831 20 0 EHADRM O=C([O-])Cc1c[nH]c2cc(Cl)c(NC3(C4CCOCC4)CC3)cc12 ZINC001167748338 1040657936 /nfs/dbraw/zinc/65/79/36/1040657936.db2.gz JSEAAELLABIAIT-UHFFFAOYSA-N -1 0 348.830 3.820 20 0 EHADRM CC(C)(C)CCOC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC000913247403 1040678188 /nfs/dbraw/zinc/67/81/88/1040678188.db2.gz UWDGKCVMLUMROO-UHFFFAOYSA-N -1 0 349.452 3.804 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)NC[C@@H]2CCCCC(F)(F)C2)s1 ZINC000490743611 1040717558 /nfs/dbraw/zinc/71/75/58/1040717558.db2.gz NLWSMCHGSHFBKU-SNVBAGLBSA-N -1 0 346.447 3.595 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]c1cc(-c2ccco2)nn1C(C)C ZINC000433115409 1040777669 /nfs/dbraw/zinc/77/76/69/1040777669.db2.gz JOKFAQWHGBPOLT-UHFFFAOYSA-N -1 0 345.424 3.833 20 0 EHADRM Cc1nc(CC(C)C)oc1C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000909097259 1040800886 /nfs/dbraw/zinc/80/08/86/1040800886.db2.gz PHHSMLSYGNWWBG-RMKNXTFCSA-N -1 0 328.368 3.532 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)c(F)c2)c1 ZINC000487253352 1040854124 /nfs/dbraw/zinc/85/41/24/1040854124.db2.gz UXZSLBGELPGGMH-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CC(C)(C)c1cnc([N-]S(=O)(=O)Cc2cccc(F)c2)s1 ZINC000481425264 1040872495 /nfs/dbraw/zinc/87/24/95/1040872495.db2.gz QPNWDPHQDAOGRE-UHFFFAOYSA-N -1 0 328.434 3.522 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)NC[C@H](C)CC(F)F ZINC000909242919 1040877410 /nfs/dbraw/zinc/87/74/10/1040877410.db2.gz ANDPCCMXRFZOTD-OCCSQVGLSA-N -1 0 342.386 3.525 20 0 EHADRM CCO[C@H](CNC(=O)c1ccc2[n-]c(=S)oc2c1)c1ccccc1 ZINC000192767150 1040900119 /nfs/dbraw/zinc/90/01/19/1040900119.db2.gz PPAXWSRWTKGDQD-MRXNPFEDSA-N -1 0 342.420 3.624 20 0 EHADRM CC1(C)Cc2cc(-c3ccc4c(c3)[C@H](CC(=O)[O-])C(=O)N4)ccc2O1 ZINC000899638404 1040905104 /nfs/dbraw/zinc/90/51/04/1040905104.db2.gz HAXLFWXEKLYQLP-HNNXBMFYSA-N -1 0 337.375 3.578 20 0 EHADRM Cc1ccc(NC(=O)C[C@@H]2CCc3sccc3C2=O)cc1C(=O)[O-] ZINC000909294197 1040912413 /nfs/dbraw/zinc/91/24/13/1040912413.db2.gz GNZZTFMUHDTXOD-NSHDSACASA-N -1 0 343.404 3.529 20 0 EHADRM Cc1ccc(F)c(CC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000909295531 1040914984 /nfs/dbraw/zinc/91/49/84/1040914984.db2.gz ABCDFURNUAZFBN-UHFFFAOYSA-N -1 0 329.371 3.678 20 0 EHADRM Cc1ccsc1CCCC(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000909702861 1040941079 /nfs/dbraw/zinc/94/10/79/1040941079.db2.gz LRWLUNWTAAZHOZ-OAHLLOKOSA-N -1 0 349.427 3.503 20 0 EHADRM O=C(COC/C=C/c1ccccc1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000163654267 1040982783 /nfs/dbraw/zinc/98/27/83/1040982783.db2.gz SMPFWKLTAITWSA-QPJJXVBHSA-N -1 0 340.404 3.785 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc(=O)[nH]c3ccccc32)ccc1Cl ZINC000325100482 1040994690 /nfs/dbraw/zinc/99/46/90/1040994690.db2.gz RWFLJTYRUVXELA-UHFFFAOYSA-N -1 0 342.738 3.544 20 0 EHADRM COc1cccc2c1[C@H](C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1)CC2 ZINC000909834698 1041032179 /nfs/dbraw/zinc/03/21/79/1041032179.db2.gz NIAPVABBXNBIMH-BLLLJJGKSA-N -1 0 339.391 3.552 20 0 EHADRM C[C@@H](C(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1)c1ccncc1 ZINC000909843809 1041036216 /nfs/dbraw/zinc/03/62/16/1041036216.db2.gz JFUIPWVWQBBNCZ-RHSMWYFYSA-N -1 0 332.444 3.505 20 0 EHADRM O=C([O-])CC[C@@H](CC1CCCCC1)NC(=O)C=C1CCSCC1 ZINC000909842878 1041036840 /nfs/dbraw/zinc/03/68/40/1041036840.db2.gz FWMPCAQPIOTSFL-INIZCTEOSA-N -1 0 339.501 3.760 20 0 EHADRM O=C([O-])c1cccc2c1CN(C(=O)[C@@H]1CCC[C@@H]1c1ccccc1)CC2 ZINC000909868421 1041040243 /nfs/dbraw/zinc/04/02/43/1041040243.db2.gz HORAVHQFZZZWKP-QZTJIDSGSA-N -1 0 349.430 3.853 20 0 EHADRM CCOC(=O)c1ccc(NC)c(Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001211657225 1041066029 /nfs/dbraw/zinc/06/60/29/1041066029.db2.gz GZENDXDTLUNGDY-UHFFFAOYSA-N -1 0 328.368 3.655 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000899769324 1041080962 /nfs/dbraw/zinc/08/09/62/1041080962.db2.gz AITHTTXDXZFQBB-AWEZNQCLSA-N -1 0 342.395 3.949 20 0 EHADRM CCOc1ccc(OCC)c(NC(=O)[C@@H](CC(=O)[O-])CC(C)C)c1 ZINC000899760924 1041088322 /nfs/dbraw/zinc/08/83/22/1041088322.db2.gz ASGPMONIQKMFOY-CYBMUJFWSA-N -1 0 337.416 3.560 20 0 EHADRM C[C@@]1(C(=O)[O-])[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N[C@H](c1ccccc1)C1CCC1 ZINC000899764638 1041093704 /nfs/dbraw/zinc/09/37/04/1041093704.db2.gz AIKXPUUBDAMNEG-AAWZQNATSA-N -1 0 339.435 3.557 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)C2CCC(C(F)(F)F)CC2)c(F)c1 ZINC000909986982 1041097020 /nfs/dbraw/zinc/09/70/20/1041097020.db2.gz YERURKCJSURFPO-UHFFFAOYSA-N -1 0 347.308 3.509 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])C[C@H]1C(=O)Nc1cccc(C(F)F)c1Cl ZINC000899779871 1041103624 /nfs/dbraw/zinc/10/36/24/1041103624.db2.gz FRQIYFRDINKEHV-BJOHPYRUSA-N -1 0 331.746 3.963 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(F)cc1OCC(F)F ZINC000899776482 1041115524 /nfs/dbraw/zinc/11/55/24/1041115524.db2.gz WAFOYUPHPIRBQK-JTQLQIEISA-N -1 0 347.333 3.545 20 0 EHADRM CC(=O)c1cc(NC(=O)C[C@@H](C(=O)[O-])c2ccc(C)cc2)ccc1C ZINC000899792439 1041118089 /nfs/dbraw/zinc/11/80/89/1041118089.db2.gz PTJAXWUGSLPABV-GOSISDBHSA-N -1 0 339.391 3.703 20 0 EHADRM Cc1ccccc1NC(=O)N1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000555767918 1041122299 /nfs/dbraw/zinc/12/22/99/1041122299.db2.gz JPSJVVPHJGFTSZ-RDJZCZTQSA-N -1 0 330.428 3.882 20 0 EHADRM Cc1cc(Cl)c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C(=O)[O-])cc1C ZINC000899787752 1041127426 /nfs/dbraw/zinc/12/74/26/1041127426.db2.gz AXFOFTNHJWLINV-XHUUTOEUSA-N -1 0 333.815 3.808 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N([C@@H](C)c2ccco2)C2CC2)C(=O)[O-])cc1 ZINC000899802619 1041141172 /nfs/dbraw/zinc/14/11/72/1041141172.db2.gz GCLZDSHGOSVTOI-WMLDXEAASA-N -1 0 341.407 3.899 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N[C@@H](c2cccs2)C2CC2)C(=O)[O-])cc1 ZINC000899796660 1041148727 /nfs/dbraw/zinc/14/87/27/1041148727.db2.gz NVWHFDNPTGTUCC-CRAIPNDOSA-N -1 0 343.448 3.882 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)C34CCC(C(=O)[O-])(CC3)C4)C2)cc1 ZINC000910013423 1041150139 /nfs/dbraw/zinc/15/01/39/1041150139.db2.gz ZEZLVHMSQXOVTQ-NQQMIMOSSA-N -1 0 341.451 3.735 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000910019092 1041151424 /nfs/dbraw/zinc/15/14/24/1041151424.db2.gz YLSHMXWERBPFCQ-DLBZAZTESA-N -1 0 343.810 3.643 20 0 EHADRM Cc1ccc([C@H](CC(=O)NC[C@H](C)Cc2cccs2)C(=O)[O-])cc1 ZINC000899821209 1041163649 /nfs/dbraw/zinc/16/36/49/1041163649.db2.gz ZHUIPBMLBJBLIS-PBHICJAKSA-N -1 0 345.464 3.610 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])C[C@H]1C(=O)Nc1ccccc1COC(C)(C)C ZINC000899833491 1041178465 /nfs/dbraw/zinc/17/84/65/1041178465.db2.gz DHLAGRNPFLZCAU-IFXJQAMLSA-N -1 0 333.428 3.687 20 0 EHADRM Cc1ncoc1-c1ccc(NC(=O)[C@H](CC(=O)[O-])CC(C)C)cc1 ZINC000899834788 1041179346 /nfs/dbraw/zinc/17/93/46/1041179346.db2.gz KWXKDBGEUIXELA-AWEZNQCLSA-N -1 0 330.384 3.726 20 0 EHADRM Cc1ccccc1[C@H](C)C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])cs1 ZINC000910103879 1041192778 /nfs/dbraw/zinc/19/27/78/1041192778.db2.gz OYTNIJUNWFTATL-WFASDCNBSA-N -1 0 344.436 3.617 20 0 EHADRM Cc1ccc(NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])c(C)c1 ZINC000555839496 1041223130 /nfs/dbraw/zinc/22/31/30/1041223130.db2.gz MEHKEDUXUJSEQC-UHFFFAOYSA-N -1 0 325.343 3.586 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000647689957 1041244876 /nfs/dbraw/zinc/24/48/76/1041244876.db2.gz ZONXFPLUPXLOMN-TZMCWYRMSA-N -1 0 348.443 3.567 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)Nc1ccc(OC2CCCC2)cc1)C1CCC1 ZINC000571265471 1041249315 /nfs/dbraw/zinc/24/93/15/1041249315.db2.gz SLAHIMQZKZYRBA-CYBMUJFWSA-N -1 0 346.427 3.868 20 0 EHADRM Cc1ccc(Cl)c(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])c1 ZINC000500366427 1041251315 /nfs/dbraw/zinc/25/13/15/1041251315.db2.gz ZSIOCKOYNZSITO-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM O=C([N-]OCCC(F)(F)F)[C@H](OC1CCCC1)c1ccccc1 ZINC000162748094 1041315711 /nfs/dbraw/zinc/31/57/11/1041315711.db2.gz YQJLMPVVQYYGRH-CQSZACIVSA-N -1 0 331.334 3.687 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)c1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000652080002 1041319625 /nfs/dbraw/zinc/31/96/25/1041319625.db2.gz WTNIDHHSBQGVFD-CYBMUJFWSA-N -1 0 345.361 3.801 20 0 EHADRM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC000511699407 1041476784 /nfs/dbraw/zinc/47/67/84/1041476784.db2.gz SPECDNFGLSHXSN-NSHDSACASA-N -1 0 341.379 3.943 20 0 EHADRM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000511727375 1041483527 /nfs/dbraw/zinc/48/35/27/1041483527.db2.gz ATGZMWKDKBIMGF-NSHDSACASA-N -1 0 341.379 3.943 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCc3cc(-c4ccccc4)ccc32)o1 ZINC000432097903 1041588585 /nfs/dbraw/zinc/58/85/85/1041588585.db2.gz XJSFKQYWPASCMH-UHFFFAOYSA-N -1 0 333.343 3.848 20 0 EHADRM CC(C)N(C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])C1CCC1 ZINC000194178303 1041613993 /nfs/dbraw/zinc/61/39/93/1041613993.db2.gz OSQIUAUVXPFSRJ-UHFFFAOYSA-N -1 0 333.819 3.634 20 0 EHADRM Cc1ccc(SCCC(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])cc1 ZINC000432137966 1041640728 /nfs/dbraw/zinc/64/07/28/1041640728.db2.gz HNHGCLSZBOPPRA-MAUKXSAKSA-N -1 0 335.469 3.627 20 0 EHADRM CCCc1nnc([N-]S(=O)(=O)c2ccc(C(C)(C)CC)cc2)o1 ZINC000194745687 1041654256 /nfs/dbraw/zinc/65/42/56/1041654256.db2.gz NSWPBBSWLUMNLZ-UHFFFAOYSA-N -1 0 337.445 3.511 20 0 EHADRM O=C([O-])C1CCC(CC(=O)NCc2cc(Cl)cc(Cl)c2)CC1 ZINC000659166818 1041665333 /nfs/dbraw/zinc/66/53/33/1041665333.db2.gz VEGMAWSLPFBSTO-UHFFFAOYSA-N -1 0 344.238 3.891 20 0 EHADRM C[C@@]1(CN=c2[n-]nc(C3CCOCC3)s2)CCCc2ccccc21 ZINC000549521136 1041692555 /nfs/dbraw/zinc/69/25/55/1041692555.db2.gz DKUSRZLCNQEINK-IBGZPJMESA-N -1 0 343.496 3.560 20 0 EHADRM O=C(Nc1c(F)cccc1-n1cccn1)c1cccc(Cl)c1[O-] ZINC001126021145 1041898898 /nfs/dbraw/zinc/89/88/98/1041898898.db2.gz LAQFLLKJUUKQIY-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM CCCCCC[C@](C)(NC(=O)c1ccn(C2CCCC2)n1)C(=O)[O-] ZINC000236736240 1042186062 /nfs/dbraw/zinc/18/60/62/1042186062.db2.gz VOOVGAXCUVTQKW-SFHVURJKSA-N -1 0 335.448 3.542 20 0 EHADRM C[C@@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1ccc(F)cc1F ZINC000184186849 1042203140 /nfs/dbraw/zinc/20/31/40/1042203140.db2.gz CQNWBWXTGCWOIR-SSDOTTSWSA-N -1 0 329.705 3.954 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1c1ccnc2ccc(Br)cc21 ZINC000662894983 1042203971 /nfs/dbraw/zinc/20/39/71/1042203971.db2.gz YIDNQIGIATVMBC-QWRGUYRKSA-N -1 0 349.228 3.687 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)CC(C)(C)CC(F)F ZINC000909371885 1042265021 /nfs/dbraw/zinc/26/50/21/1042265021.db2.gz WSTHSXBEYHXZRZ-CYBMUJFWSA-N -1 0 327.371 3.699 20 0 EHADRM C[C@@H](NC(=O)C1(C(=O)[O-])CCCCCC1)c1cccc(F)c1F ZINC000663049606 1042395899 /nfs/dbraw/zinc/39/58/99/1042395899.db2.gz GOVZVCPOBGFAQR-LLVKDONJSA-N -1 0 325.355 3.567 20 0 EHADRM CCCCCCNC(=O)C(C#N)=C([O-])c1csc2c1CCCC2 ZINC000125600551 1042414250 /nfs/dbraw/zinc/41/42/50/1042414250.db2.gz UDYUDORRGOMJHG-CQSZACIVSA-N -1 0 332.469 3.646 20 0 EHADRM Cc1ccc(-c2csc(NC(=O)C3(C(=O)[O-])CC=CC3)n2)cc1C ZINC000663074909 1042424357 /nfs/dbraw/zinc/42/43/57/1042424357.db2.gz DSJOUZSKVIAGJM-UHFFFAOYSA-N -1 0 342.420 3.786 20 0 EHADRM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC000663109419 1042461282 /nfs/dbraw/zinc/46/12/82/1042461282.db2.gz ZRZQQFDBXXKDPE-XOBRGWDASA-N -1 0 344.455 3.813 20 0 EHADRM Cc1nc2c(F)cccc2cc1C(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC000663139797 1042487621 /nfs/dbraw/zinc/48/76/21/1042487621.db2.gz PDZYAPAHURWXFY-ZDUSSCGKSA-N -1 0 346.402 3.549 20 0 EHADRM Cc1c(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)sc2cccc(F)c12 ZINC000663146623 1042491869 /nfs/dbraw/zinc/49/18/69/1042491869.db2.gz HIRWTDBMAPQDOL-LLVKDONJSA-N -1 0 335.400 3.580 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1ccccc1Cc1ccccc1)C1CCC1 ZINC000663147761 1042492762 /nfs/dbraw/zinc/49/27/62/1042492762.db2.gz OHCCZDPWZZRREA-LJQANCHMSA-N -1 0 337.419 3.508 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663149728 1042495017 /nfs/dbraw/zinc/49/50/17/1042495017.db2.gz CIIUNIUMAMXLBX-ZDUSSCGKSA-N -1 0 335.400 3.580 20 0 EHADRM C[C@@H](C(=O)NC[C@H](C(=O)[O-])C1CCC1)c1ccc(Cl)c(Cl)c1 ZINC000663153133 1042497014 /nfs/dbraw/zinc/49/70/14/1042497014.db2.gz ILIGZYVUAZHWFI-SKDRFNHKSA-N -1 0 344.238 3.714 20 0 EHADRM COc1cc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)ccc1C(=O)[O-] ZINC000249388198 1042537302 /nfs/dbraw/zinc/53/73/02/1042537302.db2.gz XIFFEEDOFNUNDN-HRCADAONSA-N -1 0 345.439 3.616 20 0 EHADRM O=C(N[C@H](Cc1ccccc1)C1CC1)c1cc(F)c([O-])c(Cl)c1 ZINC000184425069 1042539989 /nfs/dbraw/zinc/53/99/89/1042539989.db2.gz OMOWNDBVZPZPKK-MRXNPFEDSA-N -1 0 333.790 3.936 20 0 EHADRM C[C@H](NC(=O)CC1(C(=O)[O-])CCCCC1)c1ccc2c(c1)CCCO2 ZINC000663229089 1042574277 /nfs/dbraw/zinc/57/42/77/1042574277.db2.gz MRMLAMHBJZFNFN-AWEZNQCLSA-N -1 0 345.439 3.614 20 0 EHADRM S=c1[n-]nc(-c2ccco2)n1N=Cc1ccccc1Br ZINC000254393580 1042576383 /nfs/dbraw/zinc/57/63/83/1042576383.db2.gz JLYJUYRSZRYBID-UHFFFAOYSA-N -1 0 349.213 3.845 20 0 EHADRM CCCOc1ccc(S(=O)(=O)[N-]c2cnoc2C)cc1C(C)C ZINC000663255672 1042604904 /nfs/dbraw/zinc/60/49/04/1042604904.db2.gz GODMXSOSYTVJNM-UHFFFAOYSA-N -1 0 338.429 3.696 20 0 EHADRM Cc1ccc(NC(=O)c2cc(F)c([O-])c(F)c2)cc1Br ZINC000186446237 1042661866 /nfs/dbraw/zinc/66/18/66/1042661866.db2.gz PSUVQXQEIDIFPI-UHFFFAOYSA-N -1 0 342.139 3.994 20 0 EHADRM C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000186571409 1042671604 /nfs/dbraw/zinc/67/16/04/1042671604.db2.gz VFWHSRYXBJJITR-MRVPVSSYSA-N -1 0 327.277 3.782 20 0 EHADRM CC(C)C[C@H](CO)N(C)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000186644357 1042680287 /nfs/dbraw/zinc/68/02/87/1042680287.db2.gz CTUQRWMHXKUJBU-GFCCVEGCSA-N -1 0 335.831 3.678 20 0 EHADRM C[C@@H](CNC(=O)c1cc(F)c([O-])c(F)c1)Oc1cccc(Cl)c1 ZINC000186837041 1042712586 /nfs/dbraw/zinc/71/25/86/1042712586.db2.gz HHGIBTVRITYPTE-VIFPVBQESA-N -1 0 341.741 3.521 20 0 EHADRM CCCn1ccc2cc(NC(=O)NC[C@H](C(=O)[O-])C3CCC3)ccc21 ZINC000663346153 1042730515 /nfs/dbraw/zinc/73/05/15/1042730515.db2.gz RZVLZOWAKOHWMY-INIZCTEOSA-N -1 0 343.427 3.674 20 0 EHADRM Cc1ccc(-c2ccc(C)c(NC(=O)NCC3(C(=O)[O-])CCC3)c2)o1 ZINC000663353945 1042746007 /nfs/dbraw/zinc/74/60/07/1042746007.db2.gz HYHPEZFCQTVCFJ-UHFFFAOYSA-N -1 0 342.395 3.940 20 0 EHADRM CC(C)(C)c1nc(=NCc2ccc(OC(F)F)c(F)c2)s[n-]1 ZINC000549605389 1042770465 /nfs/dbraw/zinc/77/04/65/1042770465.db2.gz UZIBJGSLQQTZLB-UHFFFAOYSA-N -1 0 331.363 3.610 20 0 EHADRM O=C([O-])[C@@H]1CCCCCN1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000321387083 1042810538 /nfs/dbraw/zinc/81/05/38/1042810538.db2.gz AJILGYINVRVRIO-LBPRGKRZSA-N -1 0 330.306 3.567 20 0 EHADRM CSc1ccc(C)c(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000653334092 1043034885 /nfs/dbraw/zinc/03/48/85/1043034885.db2.gz XNRHPVNRZMUIIZ-IRXDYDNUSA-N -1 0 341.432 3.760 20 0 EHADRM COc1c(Cl)cc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1Cl ZINC000585810466 1043087234 /nfs/dbraw/zinc/08/72/34/1043087234.db2.gz SWMVXGTUQJFDED-ZJUUUORDSA-N -1 0 344.194 3.608 20 0 EHADRM O=C([O-])[C@]1(CC(=O)Nc2cccc(-c3cccs3)c2)CCSC1 ZINC000585810294 1043087967 /nfs/dbraw/zinc/08/79/67/1043087967.db2.gz JWOVUQXCUCCNAH-KRWDZBQOSA-N -1 0 347.461 3.952 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cc1Nc1ccccc1)c1c[nH]cn1 ZINC000432497197 1043544278 /nfs/dbraw/zinc/54/42/78/1043544278.db2.gz XGXZQDSSXDJEHJ-UHFFFAOYSA-N -1 0 348.815 3.608 20 0 EHADRM COc1ccccc1Oc1ccc(NC(=O)CC(C)(C)C(=O)[O-])cc1 ZINC000327501154 1043548621 /nfs/dbraw/zinc/54/86/21/1043548621.db2.gz KWXFTCHPKWHDGR-UHFFFAOYSA-N -1 0 343.379 3.927 20 0 EHADRM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)[C@@H]1CCC[C@@H](O)C1 ZINC000473222038 1043757573 /nfs/dbraw/zinc/75/75/73/1043757573.db2.gz WANAKEFACJBALD-RNFRBKRXSA-N -1 0 338.618 3.842 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)CCc2c(Cl)cccc2Cl)C1 ZINC000655535184 1043839057 /nfs/dbraw/zinc/83/90/57/1043839057.db2.gz VBSLMYWFOVKOLC-NSHDSACASA-N -1 0 344.238 3.639 20 0 EHADRM CSc1ccc(Cl)c(C(=O)Nc2ccc(CC(=O)[O-])cc2)c1 ZINC000013439750 1043911083 /nfs/dbraw/zinc/91/10/83/1043911083.db2.gz CKQKUJBNKCHXHW-UHFFFAOYSA-N -1 0 335.812 3.941 20 0 EHADRM O=S(=O)([N-]c1nccc(-c2ccccc2)n1)c1ccccc1Cl ZINC000163220385 1043917412 /nfs/dbraw/zinc/91/74/12/1043917412.db2.gz ZVWAUPUMBCTQRE-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM Cc1ccc(CCC(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1Cl ZINC000324150910 1044200143 /nfs/dbraw/zinc/20/01/43/1044200143.db2.gz YILAXIZGZMPIJX-PVAVHDDUSA-N -1 0 349.858 3.825 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000261601383 1044506598 /nfs/dbraw/zinc/50/65/98/1044506598.db2.gz BHZCHVKJNCBGLE-CQDKDKBSSA-N -1 0 345.370 3.738 20 0 EHADRM Cc1cccc2sc(NC(=O)c3cc(=O)c4ccccc4[n-]3)nc21 ZINC000344842093 1044509260 /nfs/dbraw/zinc/50/92/60/1044509260.db2.gz UPATZESEYOYQIT-UHFFFAOYSA-N -1 0 335.388 3.699 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N2CC3(CCC3)[C@@H]2C(C)C)s1 ZINC000432642875 1044571794 /nfs/dbraw/zinc/57/17/94/1044571794.db2.gz NWVUWMCQFIBMSF-ZDUSSCGKSA-N -1 0 336.505 3.906 20 0 EHADRM O=C1NC(=S)S/C1=C/c1ccc(Cl)c(Br)c1 ZINC000183386666 1125550510 /nfs/dbraw/zinc/55/05/10/1125550510.db2.gz VPOOIJQFZFMWHB-XBXARRHUSA-N -1 0 334.647 3.591 20 0 EHADRM c1sc(Nc2ncnc3ncccc32)nc1-c1ccc2c(c1)CCO2 ZINC000163184568 1125564830 /nfs/dbraw/zinc/56/48/30/1125564830.db2.gz BXBNFLLVKOLSSD-UHFFFAOYSA-N -1 0 347.403 3.827 20 0 EHADRM CC[C@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000183557896 1125604099 /nfs/dbraw/zinc/60/40/99/1125604099.db2.gz SSBHTBWYRQGHJO-WDEREUQCSA-N -1 0 331.503 3.533 20 0 EHADRM O=C(Cc1cn2ccsc2n1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000154696395 1125746304 /nfs/dbraw/zinc/74/63/04/1125746304.db2.gz MBIDBQZENVFCAF-UHFFFAOYSA-N -1 0 342.207 3.589 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CC(c2cccc(C(F)(F)F)c2)C1 ZINC000622661485 1126741295 /nfs/dbraw/zinc/74/12/95/1126741295.db2.gz GPLZIVGYULKTIY-UHFFFAOYSA-N -1 0 339.288 3.790 20 0 EHADRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000172198457 1126784360 /nfs/dbraw/zinc/78/43/60/1126784360.db2.gz QWSUKLGTTKOJNY-UHFFFAOYSA-N -1 0 346.383 3.573 20 0 EHADRM Cc1cc(C([O-])=CS(=O)(=O)c2ccccc2Cl)c(C)s1 ZINC000081906579 1126786265 /nfs/dbraw/zinc/78/62/65/1126786265.db2.gz JDQCKNGICFKJMB-UHFFFAOYSA-N -1 0 328.842 3.675 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1cccnc1OCC(F)(F)F ZINC000172357607 1126790983 /nfs/dbraw/zinc/79/09/83/1126790983.db2.gz LELCRZXJLLDGSB-UHFFFAOYSA-N -1 0 346.692 3.634 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1ccn(-c2c(F)cccc2F)n1 ZINC000175272908 1126869588 /nfs/dbraw/zinc/86/95/88/1126869588.db2.gz MYMGUKRXLGKHAL-UHFFFAOYSA-N -1 0 349.724 3.762 20 0 EHADRM CNC(=O)c1ccc(-c2csc3ccc(C(=O)[O-])cc32)cc1C ZINC000623329274 1126917529 /nfs/dbraw/zinc/91/75/29/1126917529.db2.gz IXNRHCVSPLXDBW-UHFFFAOYSA-N -1 0 325.389 3.935 20 0 EHADRM Cc1c(Br)scc1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000185628544 1126962966 /nfs/dbraw/zinc/96/29/66/1126962966.db2.gz FZZBRXLZAQNOBT-UHFFFAOYSA-N -1 0 337.198 3.649 20 0 EHADRM CCCOc1ncccc1CNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000073078600 1126998574 /nfs/dbraw/zinc/99/85/74/1126998574.db2.gz HTRIOJWTLVJAOW-UHFFFAOYSA-N -1 0 343.408 3.604 20 0 EHADRM CCOCc1cccc([N-]S(=O)(=O)c2cccc(C)c2Cl)c1 ZINC000179989601 1127107057 /nfs/dbraw/zinc/10/70/57/1127107057.db2.gz BJLDBLXXYHQVCA-UHFFFAOYSA-N -1 0 339.844 3.986 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2nc(C(C)C)cs2)c(C)c1F ZINC000181315945 1127273309 /nfs/dbraw/zinc/27/33/09/1127273309.db2.gz RJYNNWOVCFSWSO-UHFFFAOYSA-N -1 0 344.433 3.523 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cn2)cc(C)c1F ZINC000182754713 1127346082 /nfs/dbraw/zinc/34/60/82/1127346082.db2.gz OEIJMYWSNBLWCW-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM CCCCN1Cc2cccc([N-]S(=O)(=O)c3cc(C)oc3C)c2C1 ZINC000182794088 1127348489 /nfs/dbraw/zinc/34/84/89/1127348489.db2.gz XEQQAMDURZWUEF-UHFFFAOYSA-N -1 0 348.468 3.813 20 0 EHADRM Fc1ccc(-c2noc(=N[C@@H]3CCO[C@@H](c4cccs4)C3)[n-]2)cc1 ZINC000624259797 1127354589 /nfs/dbraw/zinc/35/45/89/1127354589.db2.gz WTNFDGUCXRYUMG-ZIAGYGMSSA-N -1 0 345.399 3.691 20 0 EHADRM CSCc1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000184030233 1127393106 /nfs/dbraw/zinc/39/31/06/1127393106.db2.gz GHPZDPGRKIFVCD-UHFFFAOYSA-N -1 0 325.430 3.798 20 0 EHADRM CCSc1ccc([C@@H](C)[N-]S(=O)(=O)[C@@H](C)C(F)(F)F)cc1 ZINC000184416246 1127404378 /nfs/dbraw/zinc/40/43/78/1127404378.db2.gz UFNLMNITBXRNAH-ZJUUUORDSA-N -1 0 341.420 3.730 20 0 EHADRM Cc1cc(C)c(C[N@H+](C)Cc2nc(=O)c3sccc3[n-]2)c(C)c1 ZINC000194970104 1127470738 /nfs/dbraw/zinc/47/07/38/1127470738.db2.gz HVLUXQXELCVSND-UHFFFAOYSA-N -1 0 327.453 3.542 20 0 EHADRM CCSc1cccc(C(=O)[N-]S(=O)(=O)/C=C/c2ccccc2)c1 ZINC000764563423 1127508047 /nfs/dbraw/zinc/50/80/47/1127508047.db2.gz YYPLPPYOGBPOAG-VAWYXSNFSA-N -1 0 347.461 3.529 20 0 EHADRM CC[C@@H](C(=O)[N-]S(=O)(=O)/C=C/c1ccccc1)C1CCC(C)CC1 ZINC000764754014 1127528736 /nfs/dbraw/zinc/52/87/36/1127528736.db2.gz MHAVYMYNBPZHDE-COMYJIMISA-N -1 0 349.496 3.956 20 0 EHADRM Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1cccc(C(F)F)c1 ZINC000386300105 1127658499 /nfs/dbraw/zinc/65/84/99/1127658499.db2.gz KBRBYOQSFAZLMH-UHFFFAOYSA-N -1 0 332.759 3.782 20 0 EHADRM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)/N=c1\[n-]nc2ccccn21 ZINC000077703243 1127877442 /nfs/dbraw/zinc/87/74/42/1127877442.db2.gz CJIAADXTXGBVSQ-HNNXBMFYSA-N -1 0 349.438 3.546 20 0 EHADRM Clc1cccc2c1CC[C@H]2N=c1[n-]nc(C2CCOCC2)s1 ZINC000338658332 1128007978 /nfs/dbraw/zinc/00/79/78/1128007978.db2.gz YSEYQAXZPZHHIO-CQSZACIVSA-N -1 0 335.860 3.607 20 0 EHADRM Cc1sc(C(=O)N[C@@H](CC2CC2)C(=O)[O-])cc1-c1ccc(F)cc1 ZINC000347522126 1128037169 /nfs/dbraw/zinc/03/71/69/1128037169.db2.gz PXXAGVJXUDIUPZ-HNNXBMFYSA-N -1 0 347.411 3.846 20 0 EHADRM Cc1noc(C)c1[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000347618425 1128147659 /nfs/dbraw/zinc/14/76/59/1128147659.db2.gz XIWPXVUFLBKPGX-UHFFFAOYSA-N -1 0 340.788 3.800 20 0 EHADRM CCNc1nc(SCC(=O)c2ccc(O)cc2)nc2ccccc21 ZINC000031766669 1128229631 /nfs/dbraw/zinc/22/96/31/1128229631.db2.gz QZEHQIMVRVQCKV-UHFFFAOYSA-N -1 0 339.420 3.742 20 0 EHADRM CCC(CC)c1nnc(NC(=O)c2cc(=O)c3ccccc3[n-]2)s1 ZINC000066969071 1128231005 /nfs/dbraw/zinc/23/10/05/1128231005.db2.gz XZHJBBTUADSEQD-UHFFFAOYSA-N -1 0 342.424 3.948 20 0 EHADRM Cc1n[nH]c(C)c1S(=O)(=O)Oc1cc(C)c(C(C)(C)C)cc1C ZINC001671015726 1128441119 /nfs/dbraw/zinc/44/11/19/1128441119.db2.gz TUZNRYKCHTXWEJ-UHFFFAOYSA-N -1 0 336.457 3.709 20 0 EHADRM CC(C)[C@H](NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655858934 1128509065 /nfs/dbraw/zinc/50/90/65/1128509065.db2.gz BPXDJZDVKHAPSY-XBVQOTNRSA-N -1 0 346.471 3.818 20 0 EHADRM CC(C)Oc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000055590403 1128524223 /nfs/dbraw/zinc/52/42/23/1128524223.db2.gz VAPKZAQDVUWWOS-UHFFFAOYSA-N -1 0 327.352 3.553 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c(C)c1O ZINC000055616366 1128525129 /nfs/dbraw/zinc/52/51/29/1128525129.db2.gz BXQUSOFOENWUDC-UHFFFAOYSA-N -1 0 329.780 3.602 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000268480561 1128540311 /nfs/dbraw/zinc/54/03/11/1128540311.db2.gz YQLAGHLZFRSBHH-VNHYZAJKSA-N -1 0 343.402 3.510 20 0 EHADRM O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1cccc(Cl)c1[O-] ZINC000765844418 1128543692 /nfs/dbraw/zinc/54/36/92/1128543692.db2.gz WHEXZXHUMYRNNW-CZUORRHYSA-N -1 0 331.799 3.696 20 0 EHADRM Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000227942788 1128683703 /nfs/dbraw/zinc/68/37/03/1128683703.db2.gz PWYUPHWZKYUKLE-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)cc1F ZINC000303847167 1128702016 /nfs/dbraw/zinc/70/20/16/1128702016.db2.gz NVHRESXMZPVKSY-UHFFFAOYSA-N -1 0 335.400 3.724 20 0 EHADRM CSc1ccc([C@H](C)N=c2[n-]nc(C3CCOCC3)s2)cc1 ZINC000338714162 1128737566 /nfs/dbraw/zinc/73/75/66/1128737566.db2.gz RMXWPVYWBOSMFB-NSHDSACASA-N -1 0 335.498 3.749 20 0 EHADRM c1ccc(C[C@@H]2CC[C@H](N=c3[n-]nc(C4CCOCC4)s3)C2)cc1 ZINC000338717018 1128745806 /nfs/dbraw/zinc/74/58/06/1128745806.db2.gz ZJVQUSHBJTZJKL-RDJZCZTQSA-N -1 0 343.496 3.677 20 0 EHADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000007402564 1128864762 /nfs/dbraw/zinc/86/47/62/1128864762.db2.gz QWGOGHBEVGEZJW-UHFFFAOYSA-N -1 0 337.828 3.638 20 0 EHADRM CN(C)c1cc(F)cc(NC(=O)c2cc(F)cc(Cl)c2[O-])c1 ZINC001648900204 1120063517 /nfs/dbraw/zinc/06/35/17/1120063517.db2.gz NIYSIAFYYMAJTC-UHFFFAOYSA-N -1 0 326.730 3.642 20 0 EHADRM NC(=O)c1ccc(Cl)cc1Nc1ccc(C(=O)[O-])cc1Cl ZINC000071393309 1120066543 /nfs/dbraw/zinc/06/65/43/1120066543.db2.gz WVMUPRFYIPLESS-UHFFFAOYSA-N -1 0 325.151 3.534 20 0 EHADRM O=S(=O)([N-][C@H](C(F)F)C1CCCCC1)c1cc2ccccc2o1 ZINC001670482853 1120077983 /nfs/dbraw/zinc/07/79/83/1120077983.db2.gz YVLRYHGJNHQOQQ-HNNXBMFYSA-N -1 0 343.395 3.925 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-][C@@H](C(F)F)C2CCCCC2)c(F)c1 ZINC001670481855 1120078084 /nfs/dbraw/zinc/07/80/84/1120078084.db2.gz HKNAGJFUGFABHS-OAHLLOKOSA-N -1 0 349.418 3.768 20 0 EHADRM O=C([O-])CCCCCNC(=O)/C=C\c1cc(Cl)cc(Cl)c1 ZINC000208457633 1120218838 /nfs/dbraw/zinc/21/88/38/1120218838.db2.gz JMDXVCLWBPECMX-WAYWQWQTSA-N -1 0 330.211 3.768 20 0 EHADRM CC[C@@H](NCc1cc(Cl)cc(Cl)c1)c1nc(C(=O)[O-])c[nH]1 ZINC000904065488 1120351493 /nfs/dbraw/zinc/35/14/93/1120351493.db2.gz RZSIHKUHYUOGMY-LLVKDONJSA-N -1 0 328.199 3.656 20 0 EHADRM CCOc1ccccc1[N-]S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000185167986 1120402260 /nfs/dbraw/zinc/40/22/60/1120402260.db2.gz BUYIZHKRHTYFNW-UHFFFAOYSA-N -1 0 334.372 3.507 20 0 EHADRM Cc1ncc(S(=O)(=O)[N-]c2cccc(-c3nc(C)c(C)o3)c2)s1 ZINC000494493251 1120572516 /nfs/dbraw/zinc/57/25/16/1120572516.db2.gz IKTDPDXKSHYJGM-UHFFFAOYSA-N -1 0 349.437 3.524 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000064409966 1128929104 /nfs/dbraw/zinc/92/91/04/1128929104.db2.gz DRWCWQMBQBZKKN-WDEREUQCSA-N -1 0 325.817 3.667 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cc(C)c(Cl)s2)c(OC)c1 ZINC000190188252 1120628997 /nfs/dbraw/zinc/62/89/97/1120628997.db2.gz DGQRHYFFWFYSHQ-UHFFFAOYSA-N -1 0 347.845 3.528 20 0 EHADRM Cc1csc([C@H](C)CNC(=O)c2cc(O)c3ccccc3c2)n1 ZINC000355798674 1128936894 /nfs/dbraw/zinc/93/68/94/1128936894.db2.gz BRDJHABWOXKHSK-LLVKDONJSA-N -1 0 326.421 3.844 20 0 EHADRM CO[C@H](C)CS(=O)(=O)[N-]c1ccccc1O[C@H](C)c1ccccc1 ZINC000193328456 1120771110 /nfs/dbraw/zinc/77/11/10/1120771110.db2.gz RWPDOWQNLIWYSR-HUUCEWRRSA-N -1 0 349.452 3.603 20 0 EHADRM C[C@H](CCCC(F)(F)F)NC(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000494764316 1120782241 /nfs/dbraw/zinc/78/22/41/1120782241.db2.gz CTYBOMSJIMACFR-MRVPVSSYSA-N -1 0 338.399 3.500 20 0 EHADRM Cc1cnc(C(=O)N(CCc2ccccc2F)C2CCCC2)c(O)c1 ZINC000494833877 1120878527 /nfs/dbraw/zinc/87/85/27/1120878527.db2.gz NQDFLKLFYYFNDX-UHFFFAOYSA-N -1 0 342.414 3.862 20 0 EHADRM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1nc(C(C)C)cs1 ZINC000229349904 1120959745 /nfs/dbraw/zinc/95/97/45/1120959745.db2.gz YTJOWXDEURPALF-UHFFFAOYSA-N -1 0 328.434 3.823 20 0 EHADRM CCc1n[n-]c(=NC(=O)N2CCC[C@@H]2CCCc2ccccc2)s1 ZINC000495130648 1120964474 /nfs/dbraw/zinc/96/44/74/1120964474.db2.gz SPNZFNZQRIROKF-HNNXBMFYSA-N -1 0 344.484 3.542 20 0 EHADRM CCCCCCC(=O)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000762166181 1121140110 /nfs/dbraw/zinc/14/01/10/1121140110.db2.gz MXHHHEDCGVPNLB-UHFFFAOYSA-N -1 0 335.828 3.563 20 0 EHADRM CC(C)([N-]C(=O)C(F)(F)F)c1nc(-c2cccc3ccccc32)no1 ZINC000762566333 1121360616 /nfs/dbraw/zinc/36/06/16/1121360616.db2.gz OSOVBRAQMRCADN-UHFFFAOYSA-N -1 0 349.312 3.803 20 0 EHADRM CC(C)Oc1ccc(C(=O)COC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000762822011 1121448850 /nfs/dbraw/zinc/44/88/50/1121448850.db2.gz HPQUIGJQLCMHFI-UHFFFAOYSA-N -1 0 348.782 3.873 20 0 EHADRM COC(=O)c1cc(COC(=O)c2ccc([O-])c(Cl)c2)c(C)s1 ZINC000762828105 1121451769 /nfs/dbraw/zinc/45/17/69/1121451769.db2.gz CZTRWFOBXGFZKV-UHFFFAOYSA-N -1 0 340.784 3.559 20 0 EHADRM O=C(OCc1nnc(-c2cccc(F)c2)o1)c1ccc([O-])c(Cl)c1 ZINC000762832077 1121452721 /nfs/dbraw/zinc/45/27/21/1121452721.db2.gz WHXXTWYNFGJXOU-UHFFFAOYSA-N -1 0 348.717 3.592 20 0 EHADRM CC(C)C[C@@H](NC(=O)[C@H](c1cccc(Cl)c1)C(C)C)C(=O)[O-] ZINC000236781282 1121463391 /nfs/dbraw/zinc/46/33/91/1121463391.db2.gz WOWCWFABSFQPPN-CABCVRRESA-N -1 0 325.836 3.695 20 0 EHADRM CCCc1cc(C(=O)NC[C@@H](Cc2ccccc2)C(=O)[O-])sc1C ZINC000236901339 1121467774 /nfs/dbraw/zinc/46/77/74/1121467774.db2.gz DQJBWPFOUWHTHI-MRXNPFEDSA-N -1 0 345.464 3.682 20 0 EHADRM CCC[C@@](C)(NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000236978748 1121470718 /nfs/dbraw/zinc/47/07/18/1121470718.db2.gz FTBLBEBLSCOPJQ-LJQANCHMSA-N -1 0 327.380 3.852 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cccc(Cl)c1Cl ZINC000237059751 1121472121 /nfs/dbraw/zinc/47/21/21/1121472121.db2.gz DYXPWOQVTQGNTR-UHFFFAOYSA-N -1 0 338.190 3.964 20 0 EHADRM COc1cc(CNC(=O)C[C@H](C)c2ccccc2C)ccc1C(=O)[O-] ZINC000237343274 1121481093 /nfs/dbraw/zinc/48/10/93/1121481093.db2.gz AJYZMFMRCWHCOL-AWEZNQCLSA-N -1 0 341.407 3.512 20 0 EHADRM Cc1ccc(C(C)(C)CC(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000237636575 1121489896 /nfs/dbraw/zinc/48/98/96/1121489896.db2.gz ZMCJYSGAMWPXOR-UHFFFAOYSA-N -1 0 325.408 3.929 20 0 EHADRM Cc1ccc(CCC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c(C)c1 ZINC000237738488 1121492632 /nfs/dbraw/zinc/49/26/32/1121492632.db2.gz NPTJHIIVZHUKAQ-UZLBHIALSA-N -1 0 339.435 3.814 20 0 EHADRM Cc1ccc(SCCC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000237765619 1121493861 /nfs/dbraw/zinc/49/38/61/1121493861.db2.gz XMWBFALZPSZKAP-HNNXBMFYSA-N -1 0 335.469 3.723 20 0 EHADRM O=C([O-])c1cccc(NC(=O)Cc2csc(-c3cccs3)n2)c1 ZINC000238222775 1121506709 /nfs/dbraw/zinc/50/67/09/1121506709.db2.gz BMEGTZFEEQZIDO-UHFFFAOYSA-N -1 0 344.417 3.751 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cccc(F)c2)c(C(F)(F)F)c1 ZINC000054293448 1121751152 /nfs/dbraw/zinc/75/11/52/1121751152.db2.gz UNNSRRDDDPYUPE-UHFFFAOYSA-N -1 0 349.305 3.654 20 0 EHADRM CCCCc1ccc(-c2csc(NC(=O)c3cn[nH]n3)n2)cc1 ZINC000194048232 1121763811 /nfs/dbraw/zinc/76/38/11/1121763811.db2.gz ZVNZASUZAMEMBB-UHFFFAOYSA-N -1 0 327.413 3.523 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]C(=O)c1cc2cc(Cl)ccc2o1 ZINC000916753651 1122346280 /nfs/dbraw/zinc/34/62/80/1122346280.db2.gz VFBZLISECJIIQT-UHFFFAOYSA-N -1 0 349.795 3.513 20 0 EHADRM CCSc1ccccc1C(=O)[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC000916782492 1122347820 /nfs/dbraw/zinc/34/78/20/1122347820.db2.gz KFBGOLXJKGTHRR-OUKQBFOZSA-N -1 0 347.461 3.529 20 0 EHADRM CCSc1ccccc1C(=O)[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000916782493 1122347941 /nfs/dbraw/zinc/34/79/41/1122347941.db2.gz KFBGOLXJKGTHRR-SEYXRHQNSA-N -1 0 347.461 3.529 20 0 EHADRM O=C(CCCC1CCCCC1)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000916810615 1122353121 /nfs/dbraw/zinc/35/31/21/1122353121.db2.gz KCTQCGKIUUYRTN-UHFFFAOYSA-N -1 0 349.496 3.731 20 0 EHADRM O=S(=O)([N-]c1cc(F)c(F)c(F)c1)c1c(F)cccc1Cl ZINC000126150021 1122388092 /nfs/dbraw/zinc/38/80/92/1122388092.db2.gz WRVCMFRAKRAZKL-UHFFFAOYSA-N -1 0 339.697 3.697 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cc1O)c1c(F)cccc1Cl ZINC000126330753 1122401614 /nfs/dbraw/zinc/40/16/14/1122401614.db2.gz KTFBHZGEQIDYOX-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM CC(=O)c1ccc(NC(=O)c2ccc(Br)c([O-])c2)cc1C ZINC000497383481 1122529163 /nfs/dbraw/zinc/52/91/63/1122529163.db2.gz HVSWYPFCYNHJTN-UHFFFAOYSA-N -1 0 348.196 3.918 20 0 EHADRM Cc1nn(C)c([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)c1C ZINC000128161753 1122534641 /nfs/dbraw/zinc/53/46/41/1122534641.db2.gz WNXFFABQGVNAPH-UHFFFAOYSA-N -1 0 349.843 3.644 20 0 EHADRM O=S(=O)([N-][C@@H](c1ccccc1)C1CC1)c1c(F)cc(F)cc1F ZINC000497758735 1122663178 /nfs/dbraw/zinc/66/31/78/1122663178.db2.gz WDQGWOKRQAQZOO-HNNXBMFYSA-N -1 0 341.354 3.534 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)/C=C/c1ccccc1Cl ZINC000324740941 1122718538 /nfs/dbraw/zinc/71/85/38/1122718538.db2.gz MEWVHUREWGHWLX-BBVFFXRHSA-N -1 0 341.794 3.564 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2cc(C)ccc2Br)c1 ZINC000498006011 1122729336 /nfs/dbraw/zinc/72/93/36/1122729336.db2.gz NNZUVWJPPWPHRY-UHFFFAOYSA-N -1 0 340.242 3.867 20 0 EHADRM Cc1ccc(C)c([C@@H]2CCCN2C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c1 ZINC000262713305 1122772837 /nfs/dbraw/zinc/77/28/37/1122772837.db2.gz MLGUMZARNQMTNY-BQFCYCMXSA-N -1 0 329.440 3.858 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)cc2)cs1 ZINC000262730563 1122793754 /nfs/dbraw/zinc/79/37/54/1122793754.db2.gz AWODRZDNSXEZTK-HDJSIYSDSA-N -1 0 344.436 3.948 20 0 EHADRM Cc1ccc2oc(C(=O)[N-]S(=O)(=O)c3cccc(Cl)c3)cc2c1 ZINC000918479510 1122818098 /nfs/dbraw/zinc/81/80/98/1122818098.db2.gz JZUQULVSLAIMCE-UHFFFAOYSA-N -1 0 349.795 3.513 20 0 EHADRM COc1ccc(C)cc1COC(=O)c1cc(-c2ccc(C)o2)[nH]n1 ZINC000919329273 1123022179 /nfs/dbraw/zinc/02/21/79/1123022179.db2.gz WATTZCNQOIJGHA-UHFFFAOYSA-N -1 0 326.352 3.652 20 0 EHADRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1-n1cccn1 ZINC000071975881 1123030525 /nfs/dbraw/zinc/03/05/25/1123030525.db2.gz ROQWOFVSUDSOEW-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM COc1cccc(C2CCN(C(=O)c3c([O-])cc(F)cc3F)CC2)c1 ZINC000194935991 1123079978 /nfs/dbraw/zinc/07/99/78/1123079978.db2.gz FIAAXBBPUQVKJA-UHFFFAOYSA-N -1 0 347.361 3.699 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000237539321 1123136716 /nfs/dbraw/zinc/13/67/16/1123136716.db2.gz ZKGPDLSKBNHCJZ-ZETCQYMHSA-N -1 0 344.845 3.508 20 0 EHADRM C[C@@H](c1ccccc1)N(C(=O)N=c1[n-]nc(C2CC2)s1)C1CC1 ZINC000556861760 1123156844 /nfs/dbraw/zinc/15/68/44/1123156844.db2.gz LVVWFHGLNTUMQY-NSHDSACASA-N -1 0 328.441 3.595 20 0 EHADRM CN(CC1CCC1)C(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000072913498 1123176354 /nfs/dbraw/zinc/17/63/54/1123176354.db2.gz UUNWWFQJDJQRKT-UHFFFAOYSA-N -1 0 332.625 3.680 20 0 EHADRM CC(C)(CC[N-]S(=O)(=O)c1c(F)cccc1F)c1ccccc1 ZINC000919950269 1123243136 /nfs/dbraw/zinc/24/31/36/1123243136.db2.gz CRKLAFGARRGXGW-UHFFFAOYSA-N -1 0 339.407 3.611 20 0 EHADRM CC(C)(C)[C@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000263008969 1123313615 /nfs/dbraw/zinc/31/36/15/1123313615.db2.gz YKAZYFDHQQUMEJ-IIAWOOMASA-N -1 0 335.419 3.920 20 0 EHADRM O=C(Nc1ccc(N2CCCCC2)nc1)c1c([O-])cccc1Cl ZINC000920436838 1123373494 /nfs/dbraw/zinc/37/34/94/1123373494.db2.gz BSKFASMBRSABPC-UHFFFAOYSA-N -1 0 331.803 3.683 20 0 EHADRM C[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1ccc(-n2cccn2)cc1 ZINC000075544551 1123401677 /nfs/dbraw/zinc/40/16/77/1123401677.db2.gz FGPDOJMUVJVSEU-LBPRGKRZSA-N -1 0 341.798 3.722 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000920789337 1123423782 /nfs/dbraw/zinc/42/37/82/1123423782.db2.gz OAARLOJPTZOZAJ-GDBMZVCRSA-N -1 0 345.464 3.861 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)N2CCc3cccc(C(=O)[O-])c3C2)C1(C)C ZINC000649257288 1123454523 /nfs/dbraw/zinc/45/45/23/1123454523.db2.gz DNBYSUNIJPIPSM-SJORKVTESA-N -1 0 327.424 3.508 20 0 EHADRM CC[C@@H](CNC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1)C(=O)[O-] ZINC000649264199 1123492589 /nfs/dbraw/zinc/49/25/89/1123492589.db2.gz UZGFQTRJSSCTFC-JTQLQIEISA-N -1 0 344.238 3.642 20 0 EHADRM CCCCCc1nnc(NC(=O)c2c([O-])cc(F)cc2F)s1 ZINC000066044083 1129125508 /nfs/dbraw/zinc/12/55/08/1129125508.db2.gz XMIFVWFAGSTMQS-UHFFFAOYSA-N -1 0 327.356 3.507 20 0 EHADRM Cc1ccc(OCCCCNC(=O)c2c([O-])cc(F)cc2F)cc1 ZINC000066046764 1129127633 /nfs/dbraw/zinc/12/76/33/1129127633.db2.gz RCBROSCBTYGPDR-UHFFFAOYSA-N -1 0 335.350 3.568 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(C)c2O)cc1C ZINC000135091624 1123581223 /nfs/dbraw/zinc/58/12/23/1123581223.db2.gz KVZKSDSBQLAZTA-UHFFFAOYSA-N -1 0 325.817 3.772 20 0 EHADRM CN(CCC1CCCCC1)C(=O)CSc1n[n-]c(=S)s1 ZINC000175096809 1123593017 /nfs/dbraw/zinc/59/30/17/1123593017.db2.gz KFBPFJIJWYQFGU-UHFFFAOYSA-N -1 0 331.532 3.722 20 0 EHADRM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000135391974 1123607723 /nfs/dbraw/zinc/60/77/23/1123607723.db2.gz OYKQIGPWEFXKNO-UHFFFAOYSA-N -1 0 329.830 3.795 20 0 EHADRM CC(C)n1cnc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)c1 ZINC000135641780 1123634904 /nfs/dbraw/zinc/63/49/04/1123634904.db2.gz YWMYHRXWGBRLSX-UHFFFAOYSA-N -1 0 334.228 3.572 20 0 EHADRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc3ncccc3c2)cc1F ZINC000135918024 1123653476 /nfs/dbraw/zinc/65/34/76/1123653476.db2.gz GPWWXBMNAUZIMK-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM Cc1ccc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000064690927 1123716912 /nfs/dbraw/zinc/71/69/12/1123716912.db2.gz WGKUVCDISFIMGH-UHFFFAOYSA-N -1 0 341.791 3.789 20 0 EHADRM O=C(NCCc1nccs1)c1cc(Cl)c2ccccc2c1[O-] ZINC000080022521 1123734980 /nfs/dbraw/zinc/73/49/80/1123734980.db2.gz PRXCIHFXJFIATJ-UHFFFAOYSA-N -1 0 332.812 3.628 20 0 EHADRM CC(C)Cn1nccc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000066249878 1129142389 /nfs/dbraw/zinc/14/23/89/1129142389.db2.gz RMCNEZXYGIYWNS-UHFFFAOYSA-N -1 0 348.255 3.647 20 0 EHADRM CCc1nc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)sc1C ZINC000615297005 1123778439 /nfs/dbraw/zinc/77/84/39/1123778439.db2.gz UKAPOIONRRLDJK-UHFFFAOYSA-N -1 0 334.825 3.607 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)CCCc1ccccc1 ZINC000237581321 1123780063 /nfs/dbraw/zinc/78/00/63/1123780063.db2.gz SZSQYYQVWRHYJX-GOSISDBHSA-N -1 0 325.408 3.650 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)N3CC[C@@H](C)c4ccccc43)cc2=O)cc1 ZINC000081265579 1123783772 /nfs/dbraw/zinc/78/37/72/1123783772.db2.gz GTLZTDRXHNNHSX-OAHLLOKOSA-N -1 0 347.418 3.628 20 0 EHADRM O=C([O-])CCCCC(=O)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000263318479 1123797315 /nfs/dbraw/zinc/79/73/15/1123797315.db2.gz QVFKECQXDFRHQC-LJQANCHMSA-N -1 0 337.419 3.958 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)CCCc1ccccc1 ZINC000237645761 1123798865 /nfs/dbraw/zinc/79/88/65/1123798865.db2.gz SZSQYYQVWRHYJX-SFHVURJKSA-N -1 0 325.408 3.650 20 0 EHADRM Cc1cccc2c(CC(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)c[nH]c21 ZINC000237758936 1123847231 /nfs/dbraw/zinc/84/72/31/1123847231.db2.gz MENMBQTWDZWZPN-JXMROGBWSA-N -1 0 334.375 3.755 20 0 EHADRM Cc1ccc2c(CC(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)c[nH]c2c1 ZINC000237878258 1123903524 /nfs/dbraw/zinc/90/35/24/1123903524.db2.gz QIQYOTDFZWLMKZ-WEVVVXLNSA-N -1 0 334.375 3.755 20 0 EHADRM Cc1cc2occ(CC(=O)N3CCCC[C@@H]3CCC(=O)[O-])c2cc1C ZINC000237913762 1123915693 /nfs/dbraw/zinc/91/56/93/1123915693.db2.gz AXDIHGPDOKHVKX-MRXNPFEDSA-N -1 0 343.423 3.838 20 0 EHADRM C[C@H]1CN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CC[C@@H]1c1ccccc1 ZINC000180023854 1123921081 /nfs/dbraw/zinc/92/10/81/1123921081.db2.gz VXAKKFYYSPUQHW-RANZSIQMSA-N -1 0 329.440 3.530 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2ccc(O)c(F)c2F)cc1 ZINC000616101071 1123943155 /nfs/dbraw/zinc/94/31/55/1123943155.db2.gz MBZAHGMCVYMAQT-AAEUAGOBSA-N -1 0 333.334 3.811 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2OC2CCCC2)cc1 ZINC000238043703 1123956739 /nfs/dbraw/zinc/95/67/39/1123956739.db2.gz CAOUGXXPXSSGSQ-UHFFFAOYSA-N -1 0 325.364 3.959 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nc(Cl)ccc2Cl)c(F)c1 ZINC000180275176 1123975341 /nfs/dbraw/zinc/97/53/41/1123975341.db2.gz OGKYHLKZLWPAHS-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CC(C)CCc1n[n-]c(=NC(=O)c2ccc(C(F)F)cc2)s1 ZINC000617096154 1124083981 /nfs/dbraw/zinc/08/39/81/1124083981.db2.gz IIHONIWISWLCBA-UHFFFAOYSA-N -1 0 325.384 3.739 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000681230055 1129174051 /nfs/dbraw/zinc/17/40/51/1129174051.db2.gz YUCSHSVQODABNA-UHFFFAOYSA-N -1 0 335.325 3.829 20 0 EHADRM CC(C)CC[C@@H](NC(=O)c1n[n-]c2ccccc2c1=O)C(C)(C)C ZINC000734554445 1131252168 /nfs/dbraw/zinc/25/21/68/1131252168.db2.gz BXHZIJHSPZJROZ-OAHLLOKOSA-N -1 0 329.444 3.916 20 0 EHADRM Cc1sc(NC(=O)c2cc(F)c(F)c([O-])c2F)nc1C(C)C ZINC000617246655 1124455581 /nfs/dbraw/zinc/45/55/81/1124455581.db2.gz KYIDHUCXQDIIFR-UHFFFAOYSA-N -1 0 330.331 3.950 20 0 EHADRM CC(=O)Nc1cc([N-]S(=O)(=O)c2cc3ccccc3o2)ccc1C ZINC000084920229 1124604569 /nfs/dbraw/zinc/60/45/69/1124604569.db2.gz FOBQGAGPHYHYPT-UHFFFAOYSA-N -1 0 344.392 3.500 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N1CC2(CCC2)c2ccccc21 ZINC000263573364 1124618756 /nfs/dbraw/zinc/61/87/56/1124618756.db2.gz MGMKSFCFRJGYSH-UHFFFAOYSA-N -1 0 335.403 3.786 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)[N-]S(=O)(=O)c1ccccc1C ZINC000069524531 1124845708 /nfs/dbraw/zinc/84/57/08/1124845708.db2.gz JMRPMMNJGKOJBC-UHFFFAOYSA-N -1 0 338.454 3.577 20 0 EHADRM CCCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000735203559 1131316319 /nfs/dbraw/zinc/31/63/19/1131316319.db2.gz SPGTWVXWQQKCDK-ZDUSSCGKSA-N -1 0 329.437 3.627 20 0 EHADRM CCCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000735204344 1131316471 /nfs/dbraw/zinc/31/64/71/1131316471.db2.gz UCCWDVGFHWIAOP-LBPRGKRZSA-N -1 0 347.427 3.766 20 0 EHADRM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)/C=C/C(C)(C)C ZINC000735203246 1131316928 /nfs/dbraw/zinc/31/69/28/1131316928.db2.gz OKLAUPJXIRDLNI-ZHACJKMWSA-N -1 0 337.485 3.700 20 0 EHADRM O=C(Nc1c(=O)[nH][n-]c1-c1ccccc1)C1[C@@H]2CCCCCC[C@@H]12 ZINC000615281516 1124985470 /nfs/dbraw/zinc/98/54/70/1124985470.db2.gz QOWMRWLADSXBOK-ZIAGYGMSSA-N -1 0 325.412 3.937 20 0 EHADRM O=C(c1cc(Br)c(F)cc1[O-])N1CCC[C@@H](CCF)C1 ZINC000618700674 1125169194 /nfs/dbraw/zinc/16/91/94/1125169194.db2.gz XHQCLPODCOEVBK-VIFPVBQESA-N -1 0 348.187 3.506 20 0 EHADRM Cc1cc([C@@H]2CCN(C(=O)c3ccc(F)cc3[O-])C2)c(O)cc1Cl ZINC000619375369 1125342681 /nfs/dbraw/zinc/34/26/81/1125342681.db2.gz WPLSWCFAFURHRT-LLVKDONJSA-N -1 0 349.789 3.828 20 0 EHADRM O=C(N[C@@H](c1ccccc1)C1CCCC1)c1n[n-]c2ccccc2c1=O ZINC000735519570 1131352413 /nfs/dbraw/zinc/35/24/13/1131352413.db2.gz DGVKBVSWWUJITD-SFHVURJKSA-N -1 0 347.418 3.997 20 0 EHADRM Cc1ccc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c(O)c1O ZINC000182960393 1125407896 /nfs/dbraw/zinc/40/78/96/1125407896.db2.gz FPFBAQPWZYRMCP-UHFFFAOYSA-N -1 0 328.151 3.671 20 0 EHADRM COc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])cc1 ZINC000262251079 1125416761 /nfs/dbraw/zinc/41/67/61/1125416761.db2.gz WWIUQONQFSNPBG-CABCVRRESA-N -1 0 341.363 3.537 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N2CC[C@@](C(=O)[O-])(C(C)C)C2)c1 ZINC000262585570 1125435044 /nfs/dbraw/zinc/43/50/44/1125435044.db2.gz ZRQWBGAPCHHTOM-INIZCTEOSA-N -1 0 341.860 3.635 20 0 EHADRM O=C([O-])c1c[nH]c2ccc(-c3cccc(CO[C@H]4CCOC4)c3)cc21 ZINC000657203548 1129200736 /nfs/dbraw/zinc/20/07/36/1129200736.db2.gz BGWHQASIOVINSE-INIZCTEOSA-N -1 0 337.375 3.839 20 0 EHADRM O=C([O-])c1cnc(C=Cc2ccc(OCc3ccccc3)cc2)[nH]c1=O ZINC000670369895 1129210439 /nfs/dbraw/zinc/21/04/39/1129210439.db2.gz IGTUDUVNSDZVJW-DHZHZOJOSA-N -1 0 348.358 3.630 20 0 EHADRM O=C([O-])c1cnc(C=Cc2cccc(OCc3ccccc3)c2)[nH]c1=O ZINC000670369935 1129211011 /nfs/dbraw/zinc/21/10/11/1129211011.db2.gz LRHAVWKSBJAPER-KTKRTIGZSA-N -1 0 348.358 3.630 20 0 EHADRM C[C@H]1C[C@H](C(=O)Nc2cc(Br)cc(Cl)c2[O-])CCO1 ZINC000272118539 1129423163 /nfs/dbraw/zinc/42/31/63/1129423163.db2.gz ZBCGETSPKAVOBR-JGVFFNPUSA-N -1 0 348.624 3.562 20 0 EHADRM CSCc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000013388661 1129519700 /nfs/dbraw/zinc/51/97/00/1129519700.db2.gz ZXOVNFNHUGZEIZ-ZDUSSCGKSA-N -1 0 335.450 3.557 20 0 EHADRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1cccc(SC)c1 ZINC000509063571 1129710260 /nfs/dbraw/zinc/71/02/60/1129710260.db2.gz GIZXZJRRUIVUAD-UHFFFAOYSA-N -1 0 343.857 3.871 20 0 EHADRM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1)c1c(F)cccc1F ZINC000021316492 1129713778 /nfs/dbraw/zinc/71/37/78/1129713778.db2.gz NQSVKNAKBMCJRN-UHFFFAOYSA-N -1 0 337.269 3.784 20 0 EHADRM O=C([O-])c1ccc2nc(/C=C\c3cn(-c4ccccc4)nn3)ccc2c1 ZINC000766009282 1129729288 /nfs/dbraw/zinc/72/92/88/1129729288.db2.gz YXPWPIXIBDDELE-KTKRTIGZSA-N -1 0 342.358 3.684 20 0 EHADRM Cc1ccc(C(=O)[C@H](C)OC(=O)c2c(F)cc([O-])cc2F)cc1C ZINC000735950917 1131393802 /nfs/dbraw/zinc/39/38/02/1131393802.db2.gz QIAGRPNLBCSTME-NSHDSACASA-N -1 0 334.318 3.715 20 0 EHADRM CO[C@H](C)CS(=O)(=O)[N-]c1cc(C)ccc1Oc1ccccc1 ZINC000509085726 1129732042 /nfs/dbraw/zinc/73/20/42/1129732042.db2.gz VSIRMBSBJOETAJ-CQSZACIVSA-N -1 0 335.425 3.564 20 0 EHADRM CCC(CC)c1n[n-]c(=NCc2cccc(OCCOC)c2)s1 ZINC000347807744 1129836973 /nfs/dbraw/zinc/83/69/73/1129836973.db2.gz JESYLZVDVRHPTC-UHFFFAOYSA-N -1 0 335.473 3.501 20 0 EHADRM Cc1cc(Sc2n[n-]c(=Nc3cccc(C)c3C)s2)nc(C)n1 ZINC000492098942 1129855619 /nfs/dbraw/zinc/85/56/19/1129855619.db2.gz ADQVRIAIPKOKPA-UHFFFAOYSA-N -1 0 343.481 3.878 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])C1CC(OCc2ccccc2)C1 ZINC000673809998 1129856180 /nfs/dbraw/zinc/85/61/80/1129856180.db2.gz TZCHZDJXBSERBO-UHFFFAOYSA-N -1 0 331.799 3.980 20 0 EHADRM Cc1ccc(C)c(NC(=O)N=c2[n-]nc(/C=C\c3ccco3)s2)c1 ZINC000466547618 1129893521 /nfs/dbraw/zinc/89/35/21/1129893521.db2.gz GALBRGLBSQEFKW-FPLPWBNLSA-N -1 0 340.408 3.984 20 0 EHADRM CC(C)c1nc(S(=O)(=O)[N-]c2ccc3oc(C(C)C)nc3c2)c[nH]1 ZINC000673883707 1129894683 /nfs/dbraw/zinc/89/46/83/1129894683.db2.gz SJDQJMCDNGSZLL-UHFFFAOYSA-N -1 0 348.428 3.599 20 0 EHADRM Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)c2c([O-])cc(F)cc2F)cc1 ZINC000673917305 1129906647 /nfs/dbraw/zinc/90/66/47/1129906647.db2.gz BSQCZUXTBDERGC-QAPCUYQASA-N -1 0 347.361 3.629 20 0 EHADRM CC(C)(C)c1ccc([C@@H]([N-]S(=O)(=O)CC2CC2)C(F)(F)F)cc1 ZINC000673927792 1129908858 /nfs/dbraw/zinc/90/88/58/1129908858.db2.gz OPJULXYQSVESDH-CQSZACIVSA-N -1 0 349.418 3.917 20 0 EHADRM Cc1c(Br)cncc1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212512078 1129919692 /nfs/dbraw/zinc/91/96/92/1129919692.db2.gz UJISSQHLDQVBCR-UHFFFAOYSA-N -1 0 343.127 3.873 20 0 EHADRM CC(=O)c1oc2cccnc2c1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212512108 1129920382 /nfs/dbraw/zinc/92/03/82/1129920382.db2.gz VVTJQOBVLAKNRJ-UHFFFAOYSA-N -1 0 332.262 3.750 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(Br)cc2O)c(F)c1F ZINC001212513616 1129925225 /nfs/dbraw/zinc/92/52/25/1129925225.db2.gz ZRWHBJDLZDUYHL-UHFFFAOYSA-N -1 0 344.111 3.875 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(O)ccc2Br)c(F)c1F ZINC001212513578 1129925337 /nfs/dbraw/zinc/92/53/37/1129925337.db2.gz YENMHJWGSMHBTN-UHFFFAOYSA-N -1 0 344.111 3.875 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(OC3CCOCC3)cc2)c(F)c1F ZINC001212515034 1129928991 /nfs/dbraw/zinc/92/89/91/1129928991.db2.gz OONDSEPVDZLKMK-UHFFFAOYSA-N -1 0 349.333 3.964 20 0 EHADRM O=C([O-])c1ccc(Nc2ccccc2CN2CCCC2=O)c(F)c1F ZINC001212514899 1129929026 /nfs/dbraw/zinc/92/90/26/1129929026.db2.gz MDESUYOODLFQON-UHFFFAOYSA-N -1 0 346.333 3.529 20 0 EHADRM O=C(N[C@H]1CCC[C@@H]1c1ccccc1)c1cc(F)c(F)c([O-])c1F ZINC000544560804 1129965716 /nfs/dbraw/zinc/96/57/16/1129965716.db2.gz IVQMNNKFCKPZKT-RISCZKNCSA-N -1 0 335.325 3.876 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1O ZINC000674054691 1129985433 /nfs/dbraw/zinc/98/54/33/1129985433.db2.gz YSZOUONRLFROIP-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM CN(CCc1ccc(Cl)cc1)C(=O)c1c([O-])cc(F)cc1F ZINC000172164913 1130111179 /nfs/dbraw/zinc/11/11/79/1130111179.db2.gz TWMMGJNHLIOLHG-UHFFFAOYSA-N -1 0 325.742 3.639 20 0 EHADRM CCOC(=O)c1cnc(NC(=O)CC=Cc2ccc(C(C)C)cc2)[n-]1 ZINC001128846766 1130206624 /nfs/dbraw/zinc/20/66/24/1130206624.db2.gz GXKXKZHFQGHOPO-WAYWQWQTSA-N -1 0 341.411 3.752 20 0 EHADRM O=C(c1c([O-])cc(Cl)cc1Cl)N1CC(CC(F)(F)F)C1 ZINC000675414625 1130361217 /nfs/dbraw/zinc/36/12/17/1130361217.db2.gz CQIKGACPSZJKEA-UHFFFAOYSA-N -1 0 328.117 3.723 20 0 EHADRM Cc1c(C(=O)N(CCC(=O)[O-])CC2CC2)sc2cccc(F)c12 ZINC000675971282 1130511814 /nfs/dbraw/zinc/51/18/14/1130511814.db2.gz HDDRGILTXXSBTQ-UHFFFAOYSA-N -1 0 335.400 3.676 20 0 EHADRM O=C([O-])CN(C(=O)[C@H]1C[C@H]1c1ccccc1Cl)C1CCCCC1 ZINC000675994263 1130515024 /nfs/dbraw/zinc/51/50/24/1130515024.db2.gz XVNXVKAWROPNMB-GJZGRUSLSA-N -1 0 335.831 3.689 20 0 EHADRM O=C([O-])C1(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)CCCC1 ZINC000676024489 1130518292 /nfs/dbraw/zinc/51/82/92/1130518292.db2.gz GVJFPYDVSDSJAK-UHFFFAOYSA-N -1 0 349.858 3.913 20 0 EHADRM CC/C=C(/C)C(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000729886319 1130652878 /nfs/dbraw/zinc/65/28/78/1130652878.db2.gz AUCIJPBGMLNCCJ-AUWJEWJLSA-N -1 0 335.469 3.896 20 0 EHADRM CO[N-]C(=O)[C@@H](Oc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000730209539 1130688323 /nfs/dbraw/zinc/68/83/23/1130688323.db2.gz YILSKOKRIZJGPV-AWEZNQCLSA-N -1 0 326.179 3.791 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3Cl)c2)c1 ZINC000730204150 1130688871 /nfs/dbraw/zinc/68/88/71/1130688871.db2.gz UIXDMBMMQQANBL-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2F)ccc1N(C)C ZINC000731782580 1130846854 /nfs/dbraw/zinc/84/68/54/1130846854.db2.gz HAAMHMJVAKGQGF-UHFFFAOYSA-N -1 0 342.823 3.654 20 0 EHADRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1cc2ccc(F)cc2s1 ZINC000732906169 1130969290 /nfs/dbraw/zinc/96/92/90/1130969290.db2.gz NLHMGIOZWRAZPK-JTQLQIEISA-N -1 0 343.445 3.536 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000733714290 1131073714 /nfs/dbraw/zinc/07/37/14/1131073714.db2.gz ZVWPSFUPOOIOTO-UHFFFAOYSA-N -1 0 343.448 3.506 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000733712981 1131074004 /nfs/dbraw/zinc/07/40/04/1131074004.db2.gz OKODVRVCJAVDFV-UHFFFAOYSA-N -1 0 345.464 3.531 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)cc1C ZINC000347993425 1131113396 /nfs/dbraw/zinc/11/33/96/1131113396.db2.gz HTSQGNNHGJGQQZ-UHFFFAOYSA-N -1 0 333.438 3.556 20 0 EHADRM CCCCCC[C@](C)(NC(=O)c1coc(Br)c1)C(=O)[O-] ZINC000737816028 1131455951 /nfs/dbraw/zinc/45/59/51/1131455951.db2.gz FUGOSUPQSOBFHK-AWEZNQCLSA-N -1 0 346.221 3.586 20 0 EHADRM CCCCS(=O)(=O)[N-]C(=O)C[C@@H](C)c1ccc(C(C)C)cc1 ZINC000739137411 1131493171 /nfs/dbraw/zinc/49/31/71/1131493171.db2.gz ALIWJFCVOLLHAN-CQSZACIVSA-N -1 0 325.474 3.550 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000739139172 1131493323 /nfs/dbraw/zinc/49/33/23/1131493323.db2.gz YLOQJCCAUFBIRG-OAHLLOKOSA-N -1 0 345.464 3.556 20 0 EHADRM CC(=O)N1CCCc2ccc(Nc3cc(F)c(C(=O)[O-])c(F)c3)cc21 ZINC001203330214 1131798095 /nfs/dbraw/zinc/79/80/95/1131798095.db2.gz POVREBUMXQAPOB-UHFFFAOYSA-N -1 0 346.333 3.706 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCCC2)C1CCCCCCC1 ZINC000744016194 1132007810 /nfs/dbraw/zinc/00/78/10/1132007810.db2.gz HDVLFHPTAZRBAB-UHFFFAOYSA-N -1 0 349.496 3.731 20 0 EHADRM O=C([O-])CNC(=O)c1ccc(Nc2ccc(-c3ccccc3)cc2)cc1 ZINC001173811345 1132143706 /nfs/dbraw/zinc/14/37/06/1132143706.db2.gz QFUJNTRPHPSSHE-UHFFFAOYSA-N -1 0 346.386 3.912 20 0 EHADRM CCOc1ccccc1Nc1cc(S(=O)(=O)[O-])ccc1Cl ZINC001173850092 1132154962 /nfs/dbraw/zinc/15/49/62/1132154962.db2.gz HZYBZEVDAVCYRO-UHFFFAOYSA-N -1 0 327.789 3.729 20 0 EHADRM FC(F)(F)c1ccccc1[N-]c1nonc1-c1cn2ccncc2n1 ZINC001173842233 1132164576 /nfs/dbraw/zinc/16/45/76/1132164576.db2.gz GWHYLDWBCVUDNC-UHFFFAOYSA-N -1 0 346.272 3.542 20 0 EHADRM COc1cc(F)ccc1Nc1cccc2cc(S(=O)(=O)[O-])ccc21 ZINC001174131792 1132247305 /nfs/dbraw/zinc/24/73/05/1132247305.db2.gz YQBVDGPEZVVQCF-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM O=S(=O)([O-])c1cccc(Nc2cccc(N3CCCCC3)c2)c1 ZINC001174302148 1132302881 /nfs/dbraw/zinc/30/28/81/1132302881.db2.gz FHGRYTWDAZBMEP-UHFFFAOYSA-N -1 0 332.425 3.667 20 0 EHADRM COc1cc(Nc2ccc(S(=O)(=O)C(C)C)cc2)ccc1[S-] ZINC001174271897 1132307807 /nfs/dbraw/zinc/30/78/07/1132307807.db2.gz ALVAMFVOADNNCJ-UHFFFAOYSA-N -1 0 337.466 3.910 20 0 EHADRM COc1ccc(Br)c(Nc2cccc(/C=C/C(=O)[O-])c2)n1 ZINC001174495236 1132370742 /nfs/dbraw/zinc/37/07/42/1132370742.db2.gz PBPBZJLEXIUUIS-VMPITWQZSA-N -1 0 349.184 3.694 20 0 EHADRM Cc1cnc(Br)c(Nc2cccc(/C=C/C(=O)[O-])c2)c1 ZINC001174495274 1132370781 /nfs/dbraw/zinc/37/07/81/1132370781.db2.gz PAPOQBYIGKKOBS-AATRIKPKSA-N -1 0 333.185 3.994 20 0 EHADRM CCOC(=O)c1cnc(Nc2cccc(/C=C/C(=O)[O-])c2)c(Cl)c1 ZINC001174495769 1132371925 /nfs/dbraw/zinc/37/19/25/1132371925.db2.gz WYJOLPIJROCSOS-VOTSOKGWSA-N -1 0 346.770 3.753 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2cnc(-c3ccc(O)cc3)nc2)c1 ZINC001174495311 1132372099 /nfs/dbraw/zinc/37/20/99/1132372099.db2.gz LIIWYGIDPRSZBW-RUDMXATFSA-N -1 0 333.347 3.691 20 0 EHADRM COC(=O)c1cc(F)c(F)cc1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174496984 1132372239 /nfs/dbraw/zinc/37/22/39/1132372239.db2.gz YHTKWNAGHIOFEH-AATRIKPKSA-N -1 0 333.290 3.593 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CNC(=O)c2ccc3[n-]c(=S)oc3c2)o1 ZINC000746135860 1132381847 /nfs/dbraw/zinc/38/18/47/1132381847.db2.gz VTQURHGFXBQIJK-JOYOIKCWSA-N -1 0 328.393 3.763 20 0 EHADRM Cc1ccc(CCNC(=O)c2ccc3[n-]c(=S)oc3c2)c(C)c1 ZINC000746168292 1132389710 /nfs/dbraw/zinc/38/97/10/1132389710.db2.gz LSTIVJKZEGPVIB-UHFFFAOYSA-N -1 0 326.421 3.706 20 0 EHADRM O=S(=O)([O-])c1c(Nc2cc(F)ccc2O)ccc2ccccc21 ZINC001174628010 1132419921 /nfs/dbraw/zinc/41/99/21/1132419921.db2.gz OCCXJMKYDIYVLQ-UHFFFAOYSA-N -1 0 333.340 3.675 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cc(C)cnc1Br ZINC001174671494 1132432103 /nfs/dbraw/zinc/43/21/03/1132432103.db2.gz WQNIFNYLXHOJCJ-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM COC(=O)c1ccc(Nc2ccc(C(=O)[O-])cc2OC)c(Cl)c1 ZINC001174675621 1132432895 /nfs/dbraw/zinc/43/28/95/1132432895.db2.gz PUMPNECIKXNJIS-UHFFFAOYSA-N -1 0 335.743 3.577 20 0 EHADRM COc1cc(Nc2cc(CCc3ccccc3)no2)ccc1C(=O)[O-] ZINC001174681717 1132434626 /nfs/dbraw/zinc/43/46/26/1132434626.db2.gz XHJLMPFSOHJESY-UHFFFAOYSA-N -1 0 338.363 3.910 20 0 EHADRM COc1cc(Nc2cc(OC(F)(F)F)ccc2N)ccc1C(=O)[O-] ZINC001174685879 1132435606 /nfs/dbraw/zinc/43/56/06/1132435606.db2.gz BUBYRNQRRYGBGX-UHFFFAOYSA-N -1 0 342.273 3.618 20 0 EHADRM COc1cc(F)c(Cl)cc1Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001174686083 1132436982 /nfs/dbraw/zinc/43/69/82/1132436982.db2.gz JWDYCORYUUYJFX-UHFFFAOYSA-N -1 0 325.723 3.938 20 0 EHADRM CC[C@@H](CNC(=O)CC(C)(C)CC(=O)[O-])Oc1ccccc1Cl ZINC000190662116 1132454603 /nfs/dbraw/zinc/45/46/03/1132454603.db2.gz ACRPTUVNUVVWDX-LBPRGKRZSA-N -1 0 341.835 3.505 20 0 EHADRM Cc1nc(Nc2ccc(C(=O)[O-])s2)nc(Cl)c1Br ZINC001174805350 1132477793 /nfs/dbraw/zinc/47/77/93/1132477793.db2.gz AFXHVNFAJRELTG-UHFFFAOYSA-N -1 0 348.609 3.704 20 0 EHADRM O=C([O-])c1ccc(Nc2cccc(-c3nc(CO)cs3)c2)s1 ZINC001174812610 1132480067 /nfs/dbraw/zinc/48/00/67/1132480067.db2.gz MESWCSXZKUTFQR-UHFFFAOYSA-N -1 0 332.406 3.806 20 0 EHADRM CC(C)(CC(=O)Nc1ccccc1SCC(F)(F)F)C(=O)[O-] ZINC000387700514 1132507441 /nfs/dbraw/zinc/50/74/41/1132507441.db2.gz LXZUFFBVPIULJG-UHFFFAOYSA-N -1 0 335.347 3.780 20 0 EHADRM CCOC(=O)c1coc2cc(Nc3ccc(CC(=O)[O-])cc3)ccc12 ZINC001174956571 1132518444 /nfs/dbraw/zinc/51/84/44/1132518444.db2.gz OSCWSWNHOAZDJO-UHFFFAOYSA-N -1 0 339.347 3.980 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1c(N)ccc(Br)c1F ZINC001174986714 1132535924 /nfs/dbraw/zinc/53/59/24/1132535924.db2.gz USPBUMAMHYXTPW-UHFFFAOYSA-N -1 0 339.164 3.921 20 0 EHADRM CCOC(=O)CCc1ccc(Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC001174985001 1132536203 /nfs/dbraw/zinc/53/62/03/1132536203.db2.gz YSQSOGBQMNVPNE-UHFFFAOYSA-N -1 0 327.380 3.933 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1ccc2c(c1)C(C)(C)NC(=O)N2 ZINC001174985708 1132536406 /nfs/dbraw/zinc/53/64/06/1132536406.db2.gz FJKZDKYADVLCRL-UHFFFAOYSA-N -1 0 325.368 3.807 20 0 EHADRM O=S(=O)([O-])c1ccc(Cl)c(Nc2c(F)ccc(F)c2F)c1 ZINC001175030822 1132543183 /nfs/dbraw/zinc/54/31/83/1132543183.db2.gz LAAMTPAZWHDONY-UHFFFAOYSA-N -1 0 337.706 3.748 20 0 EHADRM COC(=O)c1cccc2nc(Nc3ccc(C(=O)[O-])c(F)c3)sc21 ZINC001175155572 1132569699 /nfs/dbraw/zinc/56/96/99/1132569699.db2.gz YMHBYRSYAAICSR-UHFFFAOYSA-N -1 0 346.339 3.664 20 0 EHADRM Cc1nc(Br)ccc1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175215582 1132597761 /nfs/dbraw/zinc/59/77/61/1132597761.db2.gz MOIQDJMYHIDBBO-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM Cc1nc(Nc2ccc(F)c(C(=O)[O-])c2)ccc1Br ZINC001175216118 1132597996 /nfs/dbraw/zinc/59/79/96/1132597996.db2.gz YVMPKMHRWQFTSW-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM CCOc1cccc(F)c1Nc1ccc(Cl)cc1S(=O)(=O)[O-] ZINC001175225348 1132600702 /nfs/dbraw/zinc/60/07/02/1132600702.db2.gz VKDNIWNDNQNXRS-UHFFFAOYSA-N -1 0 345.779 3.868 20 0 EHADRM O=C([O-])c1cccc(Nc2ccc(OC[C@H]3CCCO3)c(F)c2)c1 ZINC001175328673 1132640162 /nfs/dbraw/zinc/64/01/62/1132640162.db2.gz AVLWQRWELOTHCM-OAHLLOKOSA-N -1 0 331.343 3.825 20 0 EHADRM O=C([O-])c1cccc(Nc2ccc3nc(-c4cccc(F)c4)nn3c2)c1 ZINC001175330794 1132640878 /nfs/dbraw/zinc/64/08/78/1132640878.db2.gz QTXBUANCZKFJAO-UHFFFAOYSA-N -1 0 348.337 3.977 20 0 EHADRM O=C(Nc1nccc(Br)c1[O-])[C@H]1CCCc2ccccc21 ZINC001169374012 1132736591 /nfs/dbraw/zinc/73/65/91/1132736591.db2.gz SNQFNUKISBBJJE-LBPRGKRZSA-N -1 0 347.212 3.608 20 0 EHADRM Cc1cc(N[C@@H](CCO)c2cccc3ccccc32)cnc1C(=O)[O-] ZINC001169424181 1132751004 /nfs/dbraw/zinc/75/10/04/1132751004.db2.gz MGMBVTSWVWQFSY-SFHVURJKSA-N -1 0 336.391 3.777 20 0 EHADRM O=S(=O)([O-])c1ccc(Cl)c(Nc2cnn(-c3ccccc3)c2)c1 ZINC001175797127 1132756674 /nfs/dbraw/zinc/75/66/74/1132756674.db2.gz JRNPKCXICYGMOC-UHFFFAOYSA-N -1 0 349.799 3.516 20 0 EHADRM O=C([O-])c1cncc(Nc2ccc3c(cnn3[C@H]3CCCCO3)c2)c1 ZINC001175841791 1132772393 /nfs/dbraw/zinc/77/23/93/1132772393.db2.gz XDUJHTVCOWAGNS-QGZVFWFLSA-N -1 0 338.367 3.572 20 0 EHADRM CCOc1ccc2ccccc2c1[N-]S(=O)(=O)c1cccc(N)c1 ZINC001175979943 1132806111 /nfs/dbraw/zinc/80/61/11/1132806111.db2.gz JXKKWZYSCDNRGU-UHFFFAOYSA-N -1 0 342.420 3.622 20 0 EHADRM O=S(=O)(c1ccccc1Nc1ccc([S-])cc1)N1CCCCC1 ZINC001176027565 1132823138 /nfs/dbraw/zinc/82/31/38/1132823138.db2.gz XNZGOVSWFGPCKD-UHFFFAOYSA-N -1 0 348.493 3.894 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2cccc3c2OCC3)c2ccccc21 ZINC001176075875 1132830438 /nfs/dbraw/zinc/83/04/38/1132830438.db2.gz ZBXWNPLOUKUUJK-UHFFFAOYSA-N -1 0 341.388 3.765 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC001176046682 1132834606 /nfs/dbraw/zinc/83/46/06/1132834606.db2.gz RRJKLSMWOZJOOF-SFHVURJKSA-N -1 0 335.325 3.961 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000766812954 1132852263 /nfs/dbraw/zinc/85/22/63/1132852263.db2.gz BTIMPKGIPZLUOU-OAHLLOKOSA-N -1 0 343.398 3.508 20 0 EHADRM O=C([O-])Cn1cc(Nc2ccccc2Oc2ccc(F)cc2)cn1 ZINC001176269886 1132899989 /nfs/dbraw/zinc/89/99/89/1132899989.db2.gz QFPHYPYAYSYXKM-UHFFFAOYSA-N -1 0 327.315 3.643 20 0 EHADRM CC(=O)OCc1cccc(Cl)c1[N-]c1nnc(-c2ccco2)o1 ZINC001212774352 1132901402 /nfs/dbraw/zinc/90/14/02/1132901402.db2.gz OFVDHJZCRVQNJP-UHFFFAOYSA-N -1 0 333.731 3.790 20 0 EHADRM Cc1cc(Nc2csc(C(=O)[O-])c2)n(Cc2cccc(F)c2)n1 ZINC001176437426 1132929098 /nfs/dbraw/zinc/92/90/98/1132929098.db2.gz ZMSKUYQTASPKGK-UHFFFAOYSA-N -1 0 331.372 3.882 20 0 EHADRM O=C([O-])c1cc(Nc2c(F)cccc2OC2CCOCC2)cs1 ZINC001176440899 1132929614 /nfs/dbraw/zinc/92/96/14/1132929614.db2.gz RJAISSFERLLUKG-UHFFFAOYSA-N -1 0 337.372 3.887 20 0 EHADRM CC(C)(C)c1ccc(CCCC(=O)N[C@H](CC(=O)[O-])C2CC2)cc1 ZINC000767069316 1132941584 /nfs/dbraw/zinc/94/15/84/1132941584.db2.gz LCSPNFKJKHYNSV-QGZVFWFLSA-N -1 0 331.456 3.676 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000767092352 1132947478 /nfs/dbraw/zinc/94/74/78/1132947478.db2.gz RBDIQRZJIOUYCZ-TUOYRWMMSA-N -1 0 327.355 3.741 20 0 EHADRM COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000767089123 1132947710 /nfs/dbraw/zinc/94/77/10/1132947710.db2.gz UQWLWZIYEWXOHA-BEBBCNLGSA-N -1 0 337.375 3.535 20 0 EHADRM Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000767089612 1132947812 /nfs/dbraw/zinc/94/78/12/1132947812.db2.gz AJDPWFLMDSRVGZ-DHZHZOJOSA-N -1 0 341.411 3.605 20 0 EHADRM O=C([O-])CCCCNC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 ZINC000767137444 1132956034 /nfs/dbraw/zinc/95/60/34/1132956034.db2.gz IKEOQZLFCYKJQH-NTCAYCPXSA-N -1 0 347.411 3.799 20 0 EHADRM CC(C)C[C@@H](C)OCCC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000767179958 1132958426 /nfs/dbraw/zinc/95/84/26/1132958426.db2.gz MWHBGTUQSDQDBR-LLVKDONJSA-N -1 0 327.808 3.818 20 0 EHADRM Cc1c(Nc2ccc(C3(C(=O)[O-])CC3)cc2)ccc2c1OCCO2 ZINC001176588580 1132961619 /nfs/dbraw/zinc/96/16/19/1132961619.db2.gz OVOPCDWKADZLRN-UHFFFAOYSA-N -1 0 325.364 3.626 20 0 EHADRM CCOC(=O)c1cnc(Nc2ccc(/C=C/C(=O)[O-])cc2)c(Cl)c1 ZINC001176588311 1132962013 /nfs/dbraw/zinc/96/20/13/1132962013.db2.gz BFINJUFEJWNQHZ-VMPITWQZSA-N -1 0 346.770 3.753 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2c(F)c(F)nc(F)c2Cl)cc1 ZINC001176591445 1132963184 /nfs/dbraw/zinc/96/31/84/1132963184.db2.gz JAUDGAZKOIMRRW-ZZXKWVIFSA-N -1 0 328.677 3.994 20 0 EHADRM Nc1ccc2nc(C(F)(F)F)n(-c3ccc(/C=C/C(=O)[O-])cc3)c2c1 ZINC001176592799 1132963380 /nfs/dbraw/zinc/96/33/80/1132963380.db2.gz PDEJSUKRKAYYTC-FPYGCLRLSA-N -1 0 347.296 3.724 20 0 EHADRM COCCOc1c(F)cc(Nc2ccc(/C=C/C(=O)[O-])cc2)cc1F ZINC001176597454 1132976169 /nfs/dbraw/zinc/97/61/69/1132976169.db2.gz PMCWIFRCMYJBIX-QPJJXVBHSA-N -1 0 349.333 3.831 20 0 EHADRM Cc1cc(Nc2ccc(C(=O)[O-])cc2)n(Cc2ccccc2F)n1 ZINC001176710084 1132995096 /nfs/dbraw/zinc/99/50/96/1132995096.db2.gz DIFNWMHHSMRNPC-UHFFFAOYSA-N -1 0 325.343 3.821 20 0 EHADRM O=C(CCc1cncc(C(F)(F)F)c1)Nc1ccccc1[S-] ZINC001178459100 1133170657 /nfs/dbraw/zinc/17/06/57/1133170657.db2.gz HJDHGAVRZNMZRO-UHFFFAOYSA-N -1 0 326.343 3.960 20 0 EHADRM O=S(=O)(C=Cc1cccc(Cl)c1)[N-]c1n[nH]c2ccccc21 ZINC000768862234 1133199256 /nfs/dbraw/zinc/19/92/56/1133199256.db2.gz JIMUMSYMTSKKRG-CMDGGOBGSA-N -1 0 333.800 3.629 20 0 EHADRM Cc1cc([C@@H]2CCCCN2C(=O)c2ccc3[n-]c(=S)oc3c2)[nH]n1 ZINC001179151609 1133231983 /nfs/dbraw/zinc/23/19/83/1133231983.db2.gz DIYGYLDZSACOCS-AWEZNQCLSA-N -1 0 342.424 3.515 20 0 EHADRM CC(C)(C)OC(=O)N1C[C@H]2CC[C@]2(C(=O)Nc2ccccc2[S-])C1 ZINC001179278952 1133242740 /nfs/dbraw/zinc/24/27/40/1133242740.db2.gz RKJSHLAGCKENCI-XIKOKIGWSA-N -1 0 348.468 3.561 20 0 EHADRM CCNc1nc(C)c(C(=O)Nc2ccc3[n-]c(=S)oc3c2)s1 ZINC000769245977 1133250674 /nfs/dbraw/zinc/25/06/74/1133250674.db2.gz QWEYVVIWSBANLW-UHFFFAOYSA-N -1 0 334.426 3.566 20 0 EHADRM Cc1ccccc1NCCC(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000769299661 1133256299 /nfs/dbraw/zinc/25/62/99/1133256299.db2.gz FSGSIGLJFPHQOM-UHFFFAOYSA-N -1 0 327.409 3.866 20 0 EHADRM Cc1cc(=O)[nH]c(-c2cccc(OC(=O)C[C@H]3CCC[C@@H]3C)c2)n1 ZINC000769300782 1133256541 /nfs/dbraw/zinc/25/65/41/1133256541.db2.gz UJXHQJMQGZQMPL-GXTWGEPZSA-N -1 0 326.396 3.889 20 0 EHADRM C[C@H]1CCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000769304896 1133256852 /nfs/dbraw/zinc/25/68/52/1133256852.db2.gz HAKQGJQJHUHEDH-NWDGAFQWSA-N -1 0 343.514 3.677 20 0 EHADRM CC(C)C[C@H]([N-]C(=O)C(F)(F)C(F)(F)Cl)c1ccccn1 ZINC001179781616 1133278777 /nfs/dbraw/zinc/27/87/77/1133278777.db2.gz JEEBTBYYYPDATF-JTQLQIEISA-N -1 0 326.721 3.752 20 0 EHADRM CC1(C[N-]C(=O)C(F)(F)C(F)(F)Cl)CCC(F)(F)CC1 ZINC001179781402 1133278835 /nfs/dbraw/zinc/27/88/35/1133278835.db2.gz AFPYYNHTHLHPGX-UHFFFAOYSA-N -1 0 325.680 3.785 20 0 EHADRM CCC[C@H](C(=O)N[C@@H](C)c1nn(C)cc1[O-])c1cccc(Cl)c1 ZINC001179926197 1133299777 /nfs/dbraw/zinc/29/97/77/1133299777.db2.gz CQGODPBOOXNDJH-FZMZJTMJSA-N -1 0 335.835 3.540 20 0 EHADRM COCc1ccc(NC(=O)c2cccc(Br)c2[O-])cc1 ZINC000769523489 1133308419 /nfs/dbraw/zinc/30/84/19/1133308419.db2.gz ZQCMSDZHFDMKDD-UHFFFAOYSA-N -1 0 336.185 3.553 20 0 EHADRM CC(C)(C)c1ccc(/C=C/C(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000769530156 1133309582 /nfs/dbraw/zinc/30/95/82/1133309582.db2.gz GYMHZWRHAGBQMM-KXKDPZRNSA-N -1 0 329.440 3.711 20 0 EHADRM Cc1nccn1-c1ncccc1NC(=O)c1cc2ccccc2cc1O ZINC000769706306 1133332381 /nfs/dbraw/zinc/33/23/81/1133332381.db2.gz PKCSEWKUPBWDNH-UHFFFAOYSA-N -1 0 344.374 3.687 20 0 EHADRM O=C(Nc1ccc(F)c(Br)c1[O-])[C@H](F)c1ccccc1 ZINC001180148861 1133338383 /nfs/dbraw/zinc/33/83/83/1133338383.db2.gz MAJNWQWFKUUWCX-GFCCVEGCSA-N -1 0 342.139 3.943 20 0 EHADRM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)C1=CCCCC1 ZINC000798247446 1133345438 /nfs/dbraw/zinc/34/54/38/1133345438.db2.gz AJRPAYOQKHVHRJ-UHFFFAOYSA-N -1 0 329.805 3.546 20 0 EHADRM CCn1nccc1S(=O)(=O)[N-]c1ccc(SC(C)(C)C)cc1 ZINC000769864162 1133352876 /nfs/dbraw/zinc/35/28/76/1133352876.db2.gz CJLZBTPLDBWHMT-UHFFFAOYSA-N -1 0 339.486 3.594 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cc(F)c(Cl)nc2Cl)CCCCC1 ZINC001180435319 1133369823 /nfs/dbraw/zinc/36/98/23/1133369823.db2.gz YVDGRHHFGRNZKB-UHFFFAOYSA-N -1 0 335.162 3.501 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc3sc(Cl)nc3c2)CCCCC1 ZINC001180436633 1133369855 /nfs/dbraw/zinc/36/98/55/1133369855.db2.gz PBFODBDTMWPMMU-UHFFFAOYSA-N -1 0 338.816 3.923 20 0 EHADRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(SC(F)F)nc1 ZINC000771132285 1133516354 /nfs/dbraw/zinc/51/63/54/1133516354.db2.gz XTKWPIIQESBFNE-UHFFFAOYSA-N -1 0 348.371 3.645 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])[C@H](O)c1ccccc1Cl ZINC000771506523 1133568364 /nfs/dbraw/zinc/56/83/64/1133568364.db2.gz VMHIENLGVTXUHA-GFCCVEGCSA-N -1 0 330.142 3.510 20 0 EHADRM CC(C)(CNC(=O)CSc1n[n-]c(=S)s1)C1=CCCCC1 ZINC000774534968 1133722750 /nfs/dbraw/zinc/72/27/50/1133722750.db2.gz BQHBVOLICJZHLF-UHFFFAOYSA-N -1 0 343.543 3.562 20 0 EHADRM Cc1cc(=O)c2cc(NC(=O)c3cc(F)cc(Cl)c3[O-])ccc2[nH]1 ZINC001183176516 1133775589 /nfs/dbraw/zinc/77/55/89/1133775589.db2.gz PDYABRHMCJMDLG-UHFFFAOYSA-N -1 0 346.745 3.587 20 0 EHADRM Nc1cc(F)c(C(F)(F)F)cc1NC(=O)Cc1ccc([S-])cc1 ZINC001183188217 1133776455 /nfs/dbraw/zinc/77/64/55/1133776455.db2.gz JEZYIJJGOQUFLO-UHFFFAOYSA-N -1 0 344.333 3.897 20 0 EHADRM CC/C=C/NC(=O)c1ccccc1COc1ccc(CC(=O)[O-])cc1 ZINC001183742589 1133851872 /nfs/dbraw/zinc/85/18/72/1133851872.db2.gz XJYAVYYABUJZGM-KGVSQERTSA-N -1 0 339.391 3.546 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H](CC)CC1CCCC1 ZINC000786653149 1133880880 /nfs/dbraw/zinc/88/08/80/1133880880.db2.gz LCAJLBHWZDBJTF-INIZCTEOSA-N -1 0 337.485 3.660 20 0 EHADRM O=C(N[C@@H](CO)C1CCC1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC001183977752 1133884635 /nfs/dbraw/zinc/88/46/35/1133884635.db2.gz QNMCVUPRTGVAJR-KRWDZBQOSA-N -1 0 345.826 3.603 20 0 EHADRM O=C([N-]CCCSCc1ccc(F)c(Cl)c1)C(F)(F)F ZINC000786808526 1133909524 /nfs/dbraw/zinc/90/95/24/1133909524.db2.gz WGJBSMZUHOUEHK-UHFFFAOYSA-N -1 0 329.746 3.781 20 0 EHADRM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)cn1 ZINC001185193102 1134054425 /nfs/dbraw/zinc/05/44/25/1134054425.db2.gz POTOEHWMAJZYQT-UHFFFAOYSA-N -1 0 343.408 3.661 20 0 EHADRM O=S(=O)([N-]c1cc(F)ccc1C(F)(F)F)c1ccsc1 ZINC001185391783 1134078053 /nfs/dbraw/zinc/07/80/53/1134078053.db2.gz QMBKPVWRRCOKFL-UHFFFAOYSA-N -1 0 325.308 3.707 20 0 EHADRM O=S(=O)([N-]c1ccc(F)c(F)c1)c1cc2ccccc2s1 ZINC001185421121 1134081507 /nfs/dbraw/zinc/08/15/07/1134081507.db2.gz IZXFOCXNLPKCEP-UHFFFAOYSA-N -1 0 325.361 3.980 20 0 EHADRM O=S(=O)([N-]c1cccc(F)c1F)c1cc2ccccc2s1 ZINC001185421317 1134082535 /nfs/dbraw/zinc/08/25/35/1134082535.db2.gz OKGINOSCSSAVSK-UHFFFAOYSA-N -1 0 325.361 3.980 20 0 EHADRM Cc1onc(OC(F)F)c1[N-]C(=O)c1ccc(F)c(Cl)c1F ZINC000788111949 1134085729 /nfs/dbraw/zinc/08/57/29/1134085729.db2.gz OBUYMIBKSHJNMR-UHFFFAOYSA-N -1 0 338.644 3.768 20 0 EHADRM CN(Cc1nc2ccccc2o1)C(=O)C=C([O-])c1ccccc1Cl ZINC001185436736 1134086102 /nfs/dbraw/zinc/08/61/02/1134086102.db2.gz VPHNRFVUFGNQSZ-UHFFFAOYSA-N -1 0 342.782 3.713 20 0 EHADRM O=C(C=C([O-])c1ccccc1Cl)NC[C@H]1CCCC(F)(F)C1 ZINC001185444043 1134087080 /nfs/dbraw/zinc/08/70/80/1134087080.db2.gz LJQUDCVAOFCTSF-NSHDSACASA-N -1 0 329.774 3.855 20 0 EHADRM Cn1cnc2ccc([N-]S(=O)(=O)c3cc4ccccc4s3)cc21 ZINC001185458868 1134091182 /nfs/dbraw/zinc/09/11/82/1134091182.db2.gz AWSNPZSETUXFRP-UHFFFAOYSA-N -1 0 343.433 3.589 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)[C@H](O)CC2)c1cc2ccccc2s1 ZINC001185463752 1134092865 /nfs/dbraw/zinc/09/28/65/1134092865.db2.gz CMSREZWXNRRTQS-OAHLLOKOSA-N -1 0 345.445 3.682 20 0 EHADRM CC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1 ZINC001185531924 1134104599 /nfs/dbraw/zinc/10/45/99/1134104599.db2.gz HNWBGQXATMCPFG-UHFFFAOYSA-N -1 0 337.828 3.960 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2sccc21 ZINC001185914212 1134151465 /nfs/dbraw/zinc/15/14/65/1134151465.db2.gz MPWXPTZSSJVOPL-UHFFFAOYSA-N -1 0 347.417 3.709 20 0 EHADRM CC1(C)COC(c2ccccc2NC(=O)c2cccc([S-])c2)=N1 ZINC001186156305 1134176117 /nfs/dbraw/zinc/17/61/17/1134176117.db2.gz MPAXHFIJFYYQKH-UHFFFAOYSA-N -1 0 326.421 3.783 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2csc3ccccc32)n(C(C)C)n1 ZINC001186451308 1134214597 /nfs/dbraw/zinc/21/45/97/1134214597.db2.gz GQSSMTQANUPXIP-UHFFFAOYSA-N -1 0 335.454 3.788 20 0 EHADRM COc1cccc(OC)c1[N-]S(=O)(=O)c1csc2ccccc21 ZINC001186494456 1134221967 /nfs/dbraw/zinc/22/19/67/1134221967.db2.gz WYPYVLOWOZKYBL-UHFFFAOYSA-N -1 0 349.433 3.719 20 0 EHADRM CC(C)Oc1ccc([N-]S(=O)(=O)c2csc3ccccc32)cn1 ZINC001186463476 1134224917 /nfs/dbraw/zinc/22/49/17/1134224917.db2.gz BEIFEIYDQBAMBL-UHFFFAOYSA-N -1 0 348.449 3.884 20 0 EHADRM Cc1cccc2ncc([N-]S(=O)(=O)c3csc4ccccc43)n21 ZINC001186463813 1134225025 /nfs/dbraw/zinc/22/50/25/1134225025.db2.gz JDWDPRARQCZZSA-UHFFFAOYSA-N -1 0 343.433 3.658 20 0 EHADRM Cn1cnc([N-]S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)c1 ZINC001186605691 1134239474 /nfs/dbraw/zinc/23/94/74/1134239474.db2.gz ININTIQDEQLWQU-UHFFFAOYSA-N -1 0 347.827 3.541 20 0 EHADRM Cn1cc([N-]S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)cn1 ZINC001186606244 1134239711 /nfs/dbraw/zinc/23/97/11/1134239711.db2.gz VVAARYUPRQINAP-UHFFFAOYSA-N -1 0 347.827 3.541 20 0 EHADRM Cc1ccc(CCCNC(=O)c2cc(F)c(F)c([O-])c2F)s1 ZINC001186787804 1134257982 /nfs/dbraw/zinc/25/79/82/1134257982.db2.gz IOPAGLLNFPTRMK-UHFFFAOYSA-N -1 0 329.343 3.542 20 0 EHADRM O=S(=O)([N-]c1cc(F)c(OCC2CCC2)c(F)c1)c1ccco1 ZINC001186863846 1134270338 /nfs/dbraw/zinc/27/03/38/1134270338.db2.gz XFTHXRXDHIPXKI-UHFFFAOYSA-N -1 0 343.351 3.538 20 0 EHADRM CCc1ccc(O)c([N-]S(=O)(=O)c2cc3c(s2)CCCC3)c1 ZINC001187208461 1134314512 /nfs/dbraw/zinc/31/45/12/1134314512.db2.gz BZFCYLVMEGKDTJ-UHFFFAOYSA-N -1 0 337.466 3.696 20 0 EHADRM O=S(=O)([N-]c1ccc2cnoc2c1)c1cc2c(s1)CCCC2 ZINC001187215249 1134315991 /nfs/dbraw/zinc/31/59/91/1134315991.db2.gz MXWKHCLIABJMMI-UHFFFAOYSA-N -1 0 334.422 3.569 20 0 EHADRM Cc1oncc1S(=O)(=O)[N-]c1ccc(C2CC2)c2ccccc12 ZINC001187379018 1134329367 /nfs/dbraw/zinc/32/93/67/1134329367.db2.gz BZQVVQQFLQALBU-UHFFFAOYSA-N -1 0 328.393 3.814 20 0 EHADRM CC(C)(C)Nc1ccccc1NC(=O)c1n[n-]c2ccccc2c1=O ZINC000789923393 1134344155 /nfs/dbraw/zinc/34/41/55/1134344155.db2.gz UTBYCXAWBHXEPK-UHFFFAOYSA-N -1 0 336.395 3.798 20 0 EHADRM CCCOc1ccc(CNc2cc3c(c(C(=O)[O-])c2)OCCO3)cc1 ZINC000789903986 1134347755 /nfs/dbraw/zinc/34/77/55/1134347755.db2.gz NGYIQBSVXFMJHJ-UHFFFAOYSA-N -1 0 343.379 3.557 20 0 EHADRM Cc1csc([N-]S(=O)(=O)CCc2cccc3ccccc32)n1 ZINC001187609004 1134355778 /nfs/dbraw/zinc/35/57/78/1134355778.db2.gz ZUTWEPPCAHYVOF-UHFFFAOYSA-N -1 0 332.450 3.589 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)c(-c2ccccc2)c1)c1c[nH]cn1 ZINC001187772366 1134376699 /nfs/dbraw/zinc/37/66/99/1134376699.db2.gz WLMRMBHYCHHTFG-UHFFFAOYSA-N -1 0 333.800 3.531 20 0 EHADRM COc1ccc(-c2ccccc2)cc1[N-]S(=O)(=O)c1nccs1 ZINC001187848027 1134389768 /nfs/dbraw/zinc/38/97/68/1134389768.db2.gz PUBRNFUTGMSADH-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM O=S(=O)([N-]c1ccc2oc3ccccc3c2c1)c1nccs1 ZINC001187892149 1134399778 /nfs/dbraw/zinc/39/97/78/1134399778.db2.gz VJTJICJEDIJNLR-UHFFFAOYSA-N -1 0 330.390 3.843 20 0 EHADRM O=S(=O)([N-]c1cccc(-c2ccc(F)cc2)c1)c1nccs1 ZINC001187891311 1134399801 /nfs/dbraw/zinc/39/98/01/1134399801.db2.gz USBUDODJJSUOPR-UHFFFAOYSA-N -1 0 334.397 3.750 20 0 EHADRM Cc1c(=O)[n-]n(-c2ccccc2)c1NC(=O)Nc1ccc(C)c(F)c1 ZINC001188012030 1134415828 /nfs/dbraw/zinc/41/58/28/1134415828.db2.gz WAXAREUSXYWKFB-UHFFFAOYSA-N -1 0 340.358 3.978 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)ccc1C ZINC001188069098 1134423153 /nfs/dbraw/zinc/42/31/53/1134423153.db2.gz NNWHVGVDFULDOO-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CCc1cc([N-]S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)on1 ZINC001188431071 1134462346 /nfs/dbraw/zinc/46/23/46/1134462346.db2.gz QPHNWVMLQCRRCH-UHFFFAOYSA-N -1 0 346.383 3.844 20 0 EHADRM O=C(N[C@@H]1CCc2c1cccc2O)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188598758 1134480606 /nfs/dbraw/zinc/48/06/06/1134480606.db2.gz YPDAJHDRKQJHJR-CYBMUJFWSA-N -1 0 337.297 3.534 20 0 EHADRM O=C(NCc1nccc2ccccc21)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188588715 1134485809 /nfs/dbraw/zinc/48/58/09/1134485809.db2.gz HBZXLFASFNHWNY-UHFFFAOYSA-N -1 0 346.308 3.889 20 0 EHADRM O=C(Nc1cc(-c2ccccc2)nn1C1CCC1)c1ccncc1[O-] ZINC001188628611 1134490558 /nfs/dbraw/zinc/49/05/58/1134490558.db2.gz GJFMSAZKKCNDHL-UHFFFAOYSA-N -1 0 334.379 3.628 20 0 EHADRM CC(C)(C)c1nc(COC(=O)c2c(F)cc([O-])cc2F)cs1 ZINC000746986824 1134516439 /nfs/dbraw/zinc/51/64/39/1134516439.db2.gz OQFOGUVGULREGS-UHFFFAOYSA-N -1 0 327.352 3.781 20 0 EHADRM Cc1ccc(-c2cnc(COC(=O)c3c(F)cc([O-])cc3F)o2)cc1 ZINC000746988421 1134518112 /nfs/dbraw/zinc/51/81/12/1134518112.db2.gz ZNIKNGXEPVUPMP-UHFFFAOYSA-N -1 0 345.301 3.991 20 0 EHADRM Cc1c(F)cccc1NC(=O)Nc1ncc(Br)cc1[O-] ZINC001189018550 1134533164 /nfs/dbraw/zinc/53/31/64/1134533164.db2.gz IHMXPRKYOYVIOZ-UHFFFAOYSA-N -1 0 340.152 3.641 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cc1O)c1ccc(F)c2ccccc21 ZINC001189390011 1134578972 /nfs/dbraw/zinc/57/89/72/1134578972.db2.gz OYIRHSFZANZNLN-UHFFFAOYSA-N -1 0 335.331 3.624 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cn1)c1ccc(F)c2ccccc21 ZINC001189349076 1134579271 /nfs/dbraw/zinc/57/92/71/1134579271.db2.gz UFIAAHQNNCBYMZ-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM O=S(=O)(Cc1cccc(F)c1F)[N-]c1c(O)ccc2ccccc21 ZINC001189453967 1134589613 /nfs/dbraw/zinc/58/96/13/1134589613.db2.gz ZZDJWTSPNAAWOT-UHFFFAOYSA-N -1 0 349.358 3.766 20 0 EHADRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000775296026 1134616872 /nfs/dbraw/zinc/61/68/72/1134616872.db2.gz ZAEUDKFNEZJIRR-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000775296645 1134617492 /nfs/dbraw/zinc/61/74/92/1134617492.db2.gz HYEMBPQDHLRQOY-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)Cc2ccc(F)cc2F)on1 ZINC001189781057 1134626823 /nfs/dbraw/zinc/62/68/23/1134626823.db2.gz WNBRLBIJHHVIKV-SNVBAGLBSA-N -1 0 344.383 3.798 20 0 EHADRM CC[C@@H](NC(=O)c1cc(Br)ccc1[S-])C(F)(F)F ZINC001189969519 1134637990 /nfs/dbraw/zinc/63/79/90/1134637990.db2.gz KKKFPPNDOUZFKT-SECBINFHSA-N -1 0 342.180 3.809 20 0 EHADRM C[C@H](CC(=O)[N-]S(=O)(=O)c1cnc2ccccc2c1)CC(C)(C)C ZINC000791958521 1134638837 /nfs/dbraw/zinc/63/88/37/1134638837.db2.gz QJJGLTKYRQRJQG-CYBMUJFWSA-N -1 0 348.468 3.502 20 0 EHADRM Cc1cc(Br)ncc1Nc1ccc(C(=O)[O-])cc1F ZINC001203286617 1134641626 /nfs/dbraw/zinc/64/16/26/1134641626.db2.gz WPHKYNYQZTVDSY-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM CCn1nc(C(=O)[N-]c2c(SC)cc(C)nc2SC)cc1C ZINC001190109782 1134661380 /nfs/dbraw/zinc/66/13/80/1134661380.db2.gz ZURUQKXFJMCQKC-UHFFFAOYSA-N -1 0 336.486 3.611 20 0 EHADRM CCCCc1ccccc1[N-]S(=O)(=O)c1ncc(F)cc1F ZINC001190184784 1134663852 /nfs/dbraw/zinc/66/38/52/1134663852.db2.gz WGIOKEFHLBFRBB-UHFFFAOYSA-N -1 0 326.368 3.503 20 0 EHADRM Cc1c(C)c([N-]S(=O)(=O)c2cc(F)cc(F)c2F)ccc1F ZINC001190392165 1134690257 /nfs/dbraw/zinc/69/02/57/1134690257.db2.gz MIYFUYHEHPZOLG-UHFFFAOYSA-N -1 0 333.306 3.661 20 0 EHADRM COCCC[C@@H](Cc1ccccc1)NC(=O)c1cccc(Cl)c1[O-] ZINC000792550591 1134697103 /nfs/dbraw/zinc/69/71/03/1134697103.db2.gz HUUKJQBTTSRXMU-HNNXBMFYSA-N -1 0 347.842 3.813 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cnccc2C(C)=O)cc1 ZINC001190423439 1134698552 /nfs/dbraw/zinc/69/85/52/1134698552.db2.gz GSEOLTBFJUQCRD-UHFFFAOYSA-N -1 0 346.452 3.773 20 0 EHADRM O=S(=O)([N-]c1ncccc1C(F)(F)F)c1ccc(C2CC2)cc1 ZINC001190468552 1134705764 /nfs/dbraw/zinc/70/57/64/1134705764.db2.gz ZYODRNYNKIILFT-UHFFFAOYSA-N -1 0 342.342 3.779 20 0 EHADRM O=S(=O)([N-]c1ccnn1-c1ccccc1)c1ccc(C2CC2)cc1 ZINC001190468924 1134705923 /nfs/dbraw/zinc/70/59/23/1134705923.db2.gz BPKRCKSIEBTPEF-UHFFFAOYSA-N -1 0 339.420 3.551 20 0 EHADRM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190500133 1134706936 /nfs/dbraw/zinc/70/69/36/1134706936.db2.gz NTDPXRZBGONBRH-UHFFFAOYSA-N -1 0 345.420 3.542 20 0 EHADRM [O-]c1cc(CN2CCCC(F)(F)[C@H](F)C2)c(F)c(F)c1Cl ZINC001250388160 1134729258 /nfs/dbraw/zinc/72/92/58/1134729258.db2.gz VGUZKDHPNBNSFN-SECBINFHSA-N -1 0 329.696 3.893 20 0 EHADRM CCC(CC)Oc1ccc(F)cc1[N-]S(=O)(=O)c1ccncc1 ZINC001190898699 1134764927 /nfs/dbraw/zinc/76/49/27/1134764927.db2.gz YQURXILZLGXASK-UHFFFAOYSA-N -1 0 338.404 3.589 20 0 EHADRM CSc1cc(C)nc(SC)c1[N-]C(=O)c1cc(Cl)ncn1 ZINC001191445840 1134868884 /nfs/dbraw/zinc/86/88/84/1134868884.db2.gz PDJNPEYUDVJCCU-UHFFFAOYSA-N -1 0 340.861 3.530 20 0 EHADRM COc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)CC1CCCC1 ZINC001191529579 1134880746 /nfs/dbraw/zinc/88/07/46/1134880746.db2.gz IXYOKKOXEHLDRM-UHFFFAOYSA-N -1 0 338.256 3.934 20 0 EHADRM COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccccc1[S-] ZINC001191694250 1134907758 /nfs/dbraw/zinc/90/77/58/1134907758.db2.gz FGTBCZKULVUSLH-UHFFFAOYSA-N -1 0 337.466 3.908 20 0 EHADRM CC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000793353491 1134907986 /nfs/dbraw/zinc/90/79/86/1134907986.db2.gz PUWFANYHWZJZAT-MRVPVSSYSA-N -1 0 338.256 3.543 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]C(=O)CC(C)(C)C)c1Cl ZINC000793361645 1134910630 /nfs/dbraw/zinc/91/06/30/1134910630.db2.gz UDDXLVBCOFLJBZ-UHFFFAOYSA-N -1 0 338.256 3.543 20 0 EHADRM Cc1cc(C)c(NC(=O)c2nc(Br)ccc2[O-])cc1C ZINC001191742680 1134915947 /nfs/dbraw/zinc/91/59/47/1134915947.db2.gz UXINIXFLHCTBGC-UHFFFAOYSA-N -1 0 335.201 3.727 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1csc(Cl)c1 ZINC001191788028 1134923968 /nfs/dbraw/zinc/92/39/68/1134923968.db2.gz JIZPQRXFSWOEHK-UHFFFAOYSA-N -1 0 331.846 3.909 20 0 EHADRM CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000747130803 1134948969 /nfs/dbraw/zinc/94/89/69/1134948969.db2.gz JUSUFKIWAWFAAI-GFCCVEGCSA-N -1 0 331.865 3.670 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(-c3ccc(C)cc3)cc2)cnn1C ZINC001192063864 1134963790 /nfs/dbraw/zinc/96/37/90/1134963790.db2.gz DQLUKANMWIHGGG-UHFFFAOYSA-N -1 0 341.436 3.505 20 0 EHADRM O=C(Nc1ccc(OC(F)F)cc1)Nc1ncc(Cl)cc1[O-] ZINC001192147149 1134970722 /nfs/dbraw/zinc/97/07/22/1134970722.db2.gz FZDIXHSXXSDCQA-UHFFFAOYSA-N -1 0 329.690 3.686 20 0 EHADRM C[C@H]1CCCC[C@@H]1OCC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000747149092 1134996565 /nfs/dbraw/zinc/99/65/65/1134996565.db2.gz FTPDPYIMMCYVSA-WFASDCNBSA-N -1 0 345.361 3.849 20 0 EHADRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1cnc(Cl)cc1C ZINC001192302899 1135002408 /nfs/dbraw/zinc/00/24/08/1135002408.db2.gz DHGJKFSYZPPJDH-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM Cc1ccc2cccc([N-]S(=O)(=O)c3cnc(Cl)cc3C)c2n1 ZINC001192356668 1135005384 /nfs/dbraw/zinc/00/53/84/1135005384.db2.gz WNPFUKMHLZOTHH-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1cccc(OC(C)C)c1 ZINC001192356674 1135005545 /nfs/dbraw/zinc/00/55/45/1135005545.db2.gz WXLWQIRVLOXUGI-UHFFFAOYSA-N -1 0 340.832 3.631 20 0 EHADRM COCc1cc(NC(=O)/C(C)=C\c2ccc(F)cc2)cc(C(=O)[O-])c1 ZINC000794002453 1135012532 /nfs/dbraw/zinc/01/25/32/1135012532.db2.gz KIXGBYJJJFTWGU-GHXNOFRVSA-N -1 0 343.354 3.712 20 0 EHADRM O=C(Nc1cncc(-c2ccccc2)c1)c1c([O-])ccc(F)c1F ZINC001192729880 1135048513 /nfs/dbraw/zinc/04/85/13/1135048513.db2.gz NGSZWKADUOLFFR-UHFFFAOYSA-N -1 0 326.302 3.985 20 0 EHADRM Cc1cnn(-c2ccc(C)cc2)c1NC(=O)c1c([O-])ccc(F)c1F ZINC001192729883 1135048587 /nfs/dbraw/zinc/04/85/87/1135048587.db2.gz NISCBBWTBNHGNY-UHFFFAOYSA-N -1 0 343.333 3.725 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Cl)s2)c1 ZINC001192775928 1135053370 /nfs/dbraw/zinc/05/33/70/1135053370.db2.gz UBSFSIJJNJPDNF-UHFFFAOYSA-N -1 0 331.846 3.773 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cnc3ccsc3c2)c1 ZINC001192775155 1135053697 /nfs/dbraw/zinc/05/36/97/1135053697.db2.gz JEZOPTLWMCPJGG-UHFFFAOYSA-N -1 0 348.449 3.668 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)c1 ZINC001192805869 1135057371 /nfs/dbraw/zinc/05/73/71/1135057371.db2.gz SMTBCKKHPRCJQV-UHFFFAOYSA-N -1 0 343.807 3.851 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2c(C)cccc2CC)c1 ZINC001192821603 1135058677 /nfs/dbraw/zinc/05/86/77/1135058677.db2.gz QMYMXLSAYWLRMK-UHFFFAOYSA-N -1 0 333.453 3.929 20 0 EHADRM O=C(NCc1nc(-c2ccccc2)cs1)c1cc(F)c([O-])cc1F ZINC001192875537 1135062711 /nfs/dbraw/zinc/06/27/11/1135062711.db2.gz BUXWRDHBNGMGOU-UHFFFAOYSA-N -1 0 346.358 3.724 20 0 EHADRM O=C(Nc1cc(OC(F)(F)F)ccc1O)c1ccc([O-])c(F)c1F ZINC001192841121 1135063609 /nfs/dbraw/zinc/06/36/09/1135063609.db2.gz IRGKZVDRLNKQTE-UHFFFAOYSA-N -1 0 349.211 3.527 20 0 EHADRM O=C(Nc1cccc(C(F)(F)F)c1O)c1cc(F)c([O-])cc1F ZINC001192879202 1135074063 /nfs/dbraw/zinc/07/40/63/1135074063.db2.gz APSZPOWXIOBEJQ-UHFFFAOYSA-N -1 0 333.212 3.647 20 0 EHADRM O=C(Nc1ccc(C(F)F)cn1)c1cc(Cl)nc(Cl)c1[O-] ZINC001193083071 1135096960 /nfs/dbraw/zinc/09/69/60/1135096960.db2.gz NXMAEMVTWJGCLD-UHFFFAOYSA-N -1 0 334.109 3.679 20 0 EHADRM O=C(Nc1ccccc1-c1cc[nH]n1)c1cc(Cl)nc(Cl)c1[O-] ZINC001193094423 1135106626 /nfs/dbraw/zinc/10/66/26/1135106626.db2.gz ZVNSFFZEEPUNJI-UHFFFAOYSA-N -1 0 349.177 3.736 20 0 EHADRM CCOC(=O)c1c(C(C)C)csc1[N-]S(=O)(=O)CC1CCC1 ZINC001193480136 1135141462 /nfs/dbraw/zinc/14/14/62/1135141462.db2.gz VSLYLZDKISPSFZ-UHFFFAOYSA-N -1 0 345.486 3.590 20 0 EHADRM CCCC[C@@H](CC)COC(=O)Nc1ccc(S(=O)(=O)[O-])cc1 ZINC001193969158 1135207497 /nfs/dbraw/zinc/20/74/97/1135207497.db2.gz UZQSBUVCJJQVIP-GFCCVEGCSA-N -1 0 329.418 3.698 20 0 EHADRM Cc1ccc(C)c(-n2ccnc2SCC(=O)[N-]OC2CCCC2)c1 ZINC000775602010 1135227124 /nfs/dbraw/zinc/22/71/24/1135227124.db2.gz ZSVIMTSFOJOSND-UHFFFAOYSA-N -1 0 345.468 3.572 20 0 EHADRM CCn1nccc1[N-]S(=O)(=O)c1ccc2c(Cl)cccc2c1 ZINC001194215417 1135245324 /nfs/dbraw/zinc/24/53/24/1135245324.db2.gz BWMSDBDGYJYVCS-UHFFFAOYSA-N -1 0 335.816 3.510 20 0 EHADRM O=S(=O)([N-]c1ccccc1O)c1ccc2c(Cl)cccc2c1 ZINC001194243478 1135250004 /nfs/dbraw/zinc/25/00/04/1135250004.db2.gz UDGMBZIMZWCVKG-UHFFFAOYSA-N -1 0 333.796 4.000 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cccnc1Br ZINC000805255750 1135253600 /nfs/dbraw/zinc/25/36/00/1135253600.db2.gz CRMYXPHEDFJLLU-UHFFFAOYSA-N -1 0 345.555 3.595 20 0 EHADRM CC(C)(C)COC(=O)Nc1ccc(S(=O)(=O)[O-])c2ccccc12 ZINC001194386212 1135262621 /nfs/dbraw/zinc/26/26/21/1135262621.db2.gz FJASXZZIIPEFQN-UHFFFAOYSA-N -1 0 337.397 3.681 20 0 EHADRM C[C@@H](OC(=O)c1c(F)cc([O-])cc1F)c1nccn1-c1ccccc1 ZINC000805456280 1135274508 /nfs/dbraw/zinc/27/45/08/1135274508.db2.gz LEEZZERJEZTCRB-LLVKDONJSA-N -1 0 344.317 3.774 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cccc3c(Cl)nccc32)c(O)c1 ZINC001194490770 1135278296 /nfs/dbraw/zinc/27/82/96/1135278296.db2.gz JLXWXSDDELPBFZ-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM CCCC[C@H](CC)CNS(=O)(=O)c1ncccc1C(F)(F)F ZINC001194587264 1135288735 /nfs/dbraw/zinc/28/87/35/1135288735.db2.gz ZDPNKDPDICJKNI-NSHDSACASA-N -1 0 338.395 3.595 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Oc2ccc(Br)cc2)cc1 ZINC001194598781 1135290231 /nfs/dbraw/zinc/29/02/31/1135290231.db2.gz FOSZNSSFMWMUPQ-UHFFFAOYSA-N -1 0 336.141 3.758 20 0 EHADRM O=C([O-])c1ccc(CO[C@H]2Cc3ccc(Br)cc3C2)cc1 ZINC001205671282 1135294485 /nfs/dbraw/zinc/29/44/85/1135294485.db2.gz ACLANUAFBKMGJP-INIZCTEOSA-N -1 0 347.208 3.831 20 0 EHADRM CC(C)CCOC(=O)Nc1ccc2ccccc2c1S(=O)(=O)[O-] ZINC001194874921 1135334093 /nfs/dbraw/zinc/33/40/93/1135334093.db2.gz ORRUMTZMEOXEIN-UHFFFAOYSA-N -1 0 337.397 3.681 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cccc3nccnc32)c(C)cc1Cl ZINC001194977045 1135349131 /nfs/dbraw/zinc/34/91/31/1135349131.db2.gz QLYXYJMXLLXCHN-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cccc3nccnc32)ccc1C(C)C ZINC001194976611 1135349744 /nfs/dbraw/zinc/34/97/44/1135349744.db2.gz JVPNVJSKMSSJRD-UHFFFAOYSA-N -1 0 341.436 3.862 20 0 EHADRM C[Si](C)(C)CCS(=O)(=O)[N-]c1nc2cc(Cl)ccc2o1 ZINC001195031562 1135356035 /nfs/dbraw/zinc/35/60/35/1135356035.db2.gz FKVQQOORJXQRDK-UHFFFAOYSA-N -1 0 332.885 3.561 20 0 EHADRM C[Si](C)(C)CCS(=O)(=O)Nc1ccc2[n-]c(=S)sc2c1 ZINC001195072253 1135363980 /nfs/dbraw/zinc/36/39/80/1135363980.db2.gz KOIOGQRAAHGSIT-UHFFFAOYSA-N -1 0 346.575 3.665 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCC(OCc2ccccc2)CC1 ZINC000775644287 1135384892 /nfs/dbraw/zinc/38/48/92/1135384892.db2.gz DUSLUEASFVSOPW-UHFFFAOYSA-N -1 0 345.826 3.867 20 0 EHADRM CCn1cc2cc([N-]S(=O)(=O)c3c(C)cccc3Cl)ccc2n1 ZINC001195309098 1135410752 /nfs/dbraw/zinc/41/07/52/1135410752.db2.gz GJCWGAPJNZQNGP-UHFFFAOYSA-N -1 0 349.843 3.819 20 0 EHADRM CC(=O)Nc1ccc(C(=O)Nc2cc(Cl)c([O-])cc2F)cc1F ZINC000805258615 1135426714 /nfs/dbraw/zinc/42/67/14/1135426714.db2.gz JWFXYDKBZVFLQB-UHFFFAOYSA-N -1 0 340.713 3.535 20 0 EHADRM C[C@@H]1CN(C(=O)c2cccc(F)c2[O-])CCc2ccc(Cl)cc21 ZINC001130724971 1135484814 /nfs/dbraw/zinc/48/48/14/1135484814.db2.gz ZETJYCCOVRJVEO-LLVKDONJSA-N -1 0 333.790 3.987 20 0 EHADRM C[C@H]1CN(C(=O)c2cccc(F)c2[O-])CCc2ccc(Cl)cc21 ZINC001130724972 1135485073 /nfs/dbraw/zinc/48/50/73/1135485073.db2.gz ZETJYCCOVRJVEO-NSHDSACASA-N -1 0 333.790 3.987 20 0 EHADRM O=C([N-]c1noc2cccnc12)c1c(Cl)cc(Cl)nc1Cl ZINC001195909450 1135489337 /nfs/dbraw/zinc/48/93/37/1135489337.db2.gz RRVDKIQHSHQZGT-UHFFFAOYSA-N -1 0 343.557 3.830 20 0 EHADRM [O-]c1cc(NC(=S)NCc2cccc(Cl)c2)cc(F)c1F ZINC001195982518 1135497253 /nfs/dbraw/zinc/49/72/53/1135497253.db2.gz ZOELTQOWBFEEIE-UHFFFAOYSA-N -1 0 328.771 3.810 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cccc3c2CCCC3)cc1C ZINC000775678120 1135503900 /nfs/dbraw/zinc/50/39/00/1135503900.db2.gz AAXKCLGULNXMBB-CYBMUJFWSA-N -1 0 347.484 3.842 20 0 EHADRM CC(=O)N1CCCc2cc(NC(=O)c3cccc(Cl)c3[O-])ccc21 ZINC000775685633 1135516159 /nfs/dbraw/zinc/51/61/59/1135516159.db2.gz ROMWHEQLCHWWHV-UHFFFAOYSA-N -1 0 344.798 3.597 20 0 EHADRM CCN(Cc1c(F)cccc1F)C(=O)c1cccc(Cl)c1[O-] ZINC000775690765 1135530065 /nfs/dbraw/zinc/53/00/65/1135530065.db2.gz SQCZITVHBJVMJD-UHFFFAOYSA-N -1 0 325.742 3.986 20 0 EHADRM O=C(NCc1cccc(OCC(F)F)c1)c1cccc(Cl)c1[O-] ZINC000775696094 1135532373 /nfs/dbraw/zinc/53/23/73/1135532373.db2.gz WNVAJPKYTRGHIV-UHFFFAOYSA-N -1 0 341.741 3.620 20 0 EHADRM O=S(=O)([N-]c1cccc(-c2ccncc2)c1)c1ccc(Cl)cn1 ZINC001196244007 1135539974 /nfs/dbraw/zinc/53/99/74/1135539974.db2.gz DULCYGGABCACJV-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM Cc1cc(F)cc(Cl)c1NS(=O)(=O)c1ccc(Cl)cn1 ZINC001196244993 1135540081 /nfs/dbraw/zinc/54/00/81/1135540081.db2.gz JEZQUPVXLPKPDL-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N(Cc1cc[nH]n1)Cc1ccccc1 ZINC000775707932 1135545852 /nfs/dbraw/zinc/54/58/52/1135545852.db2.gz ZTUNUSHTQGNVHA-UHFFFAOYSA-N -1 0 341.798 3.611 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2c(C)ccc3cccnc32)c(F)c1 ZINC001196379955 1135552357 /nfs/dbraw/zinc/55/23/57/1135552357.db2.gz GISAAZNUOIFWIJ-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c3cccnc23)c(F)c1 ZINC001196382102 1135552935 /nfs/dbraw/zinc/55/29/35/1135552935.db2.gz AADDTCMOXPTASB-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM Cc1cccc([C@@H](NC(=O)C(=O)[N-]OC2CCCCC2)C(C)(C)C)c1 ZINC000807703112 1135563501 /nfs/dbraw/zinc/56/35/01/1135563501.db2.gz SGKQRFFLNCSGEO-QGZVFWFLSA-N -1 0 346.471 3.579 20 0 EHADRM O=C(c1cc(Cl)c(F)cc1[O-])N1CCC[C@H]1c1nccs1 ZINC001196466276 1135563933 /nfs/dbraw/zinc/56/39/33/1135563933.db2.gz GKGPKBWMOITWCO-NSHDSACASA-N -1 0 326.780 3.619 20 0 EHADRM O=C(Nc1cc(-c2ccccc2O)no1)c1cc(Cl)c(F)cc1[O-] ZINC001196458122 1135569629 /nfs/dbraw/zinc/56/96/29/1135569629.db2.gz DXTNNHQUSWASTB-UHFFFAOYSA-N -1 0 348.717 3.798 20 0 EHADRM Cc1nnc(-c2ccc(NC(=O)c3cccc(Cl)c3[O-])cc2)o1 ZINC000775753767 1135635855 /nfs/dbraw/zinc/63/58/55/1135635855.db2.gz MZMHZBMMBPKUNB-UHFFFAOYSA-N -1 0 329.743 3.656 20 0 EHADRM COc1ccc([C@@H](C)N(C)C(=S)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001197096833 1135645415 /nfs/dbraw/zinc/64/54/15/1135645415.db2.gz NHDXYPUZLHVKKO-GFCCVEGCSA-N -1 0 344.436 3.783 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2cc(Cl)cnc2Cl)cc1 ZINC001197075409 1135647616 /nfs/dbraw/zinc/64/76/16/1135647616.db2.gz MNOSTQCBFXTCKB-UHFFFAOYSA-N -1 0 342.207 3.896 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2cnc3ccsc3c2)cc1 ZINC001197083967 1135647922 /nfs/dbraw/zinc/64/79/22/1135647922.db2.gz QVHRGNWNYJWXOW-UHFFFAOYSA-N -1 0 329.406 3.803 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NCc2cccc(Cl)c2F)cc1 ZINC001197129415 1135648152 /nfs/dbraw/zinc/64/81/52/1135648152.db2.gz XMHIMAJZKCFNQT-UHFFFAOYSA-N -1 0 338.791 3.664 20 0 EHADRM CN(C(=S)Nc1ccc(C(=O)[O-])cc1)[C@@H](C1CCC1)C(F)(F)F ZINC001197103930 1135649960 /nfs/dbraw/zinc/64/99/60/1135649960.db2.gz XYFSGWSHLXLYIQ-LBPRGKRZSA-N -1 0 346.374 3.744 20 0 EHADRM CN(C(=S)Nc1ccc(C(=O)[O-])cc1)[C@H](C1CCC1)C(F)(F)F ZINC001197103929 1135650087 /nfs/dbraw/zinc/65/00/87/1135650087.db2.gz XYFSGWSHLXLYIQ-GFCCVEGCSA-N -1 0 346.374 3.744 20 0 EHADRM Cc1cccnc1[C@@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)C1CC1 ZINC001197127335 1135652543 /nfs/dbraw/zinc/65/25/43/1135652543.db2.gz RJCYZBWESBCCMH-INIZCTEOSA-N -1 0 341.436 3.526 20 0 EHADRM CN(Cc1nc2c(s1)CCCC2)C(=O)c1cccc(Cl)c1[O-] ZINC000775767445 1135672137 /nfs/dbraw/zinc/67/21/37/1135672137.db2.gz AULXHCNPIFNWAS-UHFFFAOYSA-N -1 0 336.844 3.653 20 0 EHADRM CC(C)Cc1cc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)on1 ZINC001197643072 1135715252 /nfs/dbraw/zinc/71/52/52/1135715252.db2.gz QTNGJTYXEFFDMT-UHFFFAOYSA-N -1 0 346.811 3.608 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2ccccc2OC2CCCC2)c1 ZINC001197999239 1135760360 /nfs/dbraw/zinc/76/03/60/1135760360.db2.gz OBDYWEBGZQDCLY-UHFFFAOYSA-N -1 0 332.425 3.512 20 0 EHADRM CCC[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(C)cc1)c1ccccc1 ZINC000809064895 1135770500 /nfs/dbraw/zinc/77/05/00/1135770500.db2.gz PVUGAWOFMCMMAC-SFHVURJKSA-N -1 0 345.464 3.525 20 0 EHADRM CC(C)c1cccc(F)c1[N-]S(=O)(=O)c1cccc(Cl)n1 ZINC001198241489 1135791336 /nfs/dbraw/zinc/79/13/36/1135791336.db2.gz FNRWIOYOFSJKNV-UHFFFAOYSA-N -1 0 328.796 3.798 20 0 EHADRM CC(C)Cn1cnc(C(=O)Nc2ccc3[n-]c(=S)sc3c2)c1 ZINC001198574395 1135832862 /nfs/dbraw/zinc/83/28/62/1135832862.db2.gz AQGPVSMLADYPDG-UHFFFAOYSA-N -1 0 332.454 3.690 20 0 EHADRM CCOC(=O)c1c(NC(=S)NC2=CC=C[CH]2)sc2c1CCCC2 ZINC001199392541 1135899741 /nfs/dbraw/zinc/89/97/41/1135899741.db2.gz SVRVYPSVZUSYMS-UHFFFAOYSA-N -1 0 347.485 3.748 20 0 EHADRM COc1ccc(-c2nsc(N=C([O-])NOC3CCCCC3)n2)cc1 ZINC000809927988 1135901054 /nfs/dbraw/zinc/90/10/54/1135901054.db2.gz LCKBZPXJHKYFGE-UHFFFAOYSA-N -1 0 348.428 3.600 20 0 EHADRM COc1ncc(Nc2cc(F)c(C(=O)[O-])c(F)c2)cc1C(F)(F)F ZINC001203322188 1135911459 /nfs/dbraw/zinc/91/14/59/1135911459.db2.gz VVOVOZPAUMMGGA-UHFFFAOYSA-N -1 0 348.227 3.829 20 0 EHADRM CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1cccc(Cl)c1[O-] ZINC000776011396 1135919803 /nfs/dbraw/zinc/91/98/03/1135919803.db2.gz VBHIBUBUIVOMSJ-QFYYESIMSA-N -1 0 337.778 3.691 20 0 EHADRM O=C([N-][C@H]1CCCOc2c(Cl)cccc21)C(F)(F)C(F)F ZINC000776017059 1135921928 /nfs/dbraw/zinc/92/19/28/1135921928.db2.gz ZJPXHFHVYGQOAS-VIFPVBQESA-N -1 0 325.689 3.570 20 0 EHADRM CCC/C(C)=C/C(=O)Nc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC001132103759 1135927385 /nfs/dbraw/zinc/92/73/85/1135927385.db2.gz ATLWFUJXLVJHGM-BJMVGYQFSA-N -1 0 346.324 3.689 20 0 EHADRM CCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000776069693 1135947018 /nfs/dbraw/zinc/94/70/18/1135947018.db2.gz NHDNKPWTWOXWGW-OAHLLOKOSA-N -1 0 325.474 3.715 20 0 EHADRM O=c1cc(NC(=S)Nc2cc(Cl)ccc2Cl)nc(Cl)[n-]1 ZINC001201075856 1135985347 /nfs/dbraw/zinc/98/53/47/1135985347.db2.gz SODMWZGHAOMERT-UHFFFAOYSA-N -1 0 349.630 3.951 20 0 EHADRM Cc1nc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)cs1 ZINC001201254657 1135997365 /nfs/dbraw/zinc/99/73/65/1135997365.db2.gz XQHGFCMEUWSHIB-UHFFFAOYSA-N -1 0 341.216 3.698 20 0 EHADRM O=S(=O)([N-]c1ccccc1O)c1cc(Cl)c(Cl)cc1F ZINC001201270804 1136002511 /nfs/dbraw/zinc/00/25/11/1136002511.db2.gz YGYRKPKQVSFUQU-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1cccnc1C1CCC1 ZINC001201735649 1136062374 /nfs/dbraw/zinc/06/23/74/1136062374.db2.gz ICHPVZJIOLLQOV-UHFFFAOYSA-N -1 0 343.861 3.568 20 0 EHADRM Cc1ccc(OCCCNC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000811817804 1136144973 /nfs/dbraw/zinc/14/49/73/1136144973.db2.gz STPASHCZICNMSI-UHFFFAOYSA-N -1 0 347.798 3.546 20 0 EHADRM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811820165 1136145401 /nfs/dbraw/zinc/14/54/01/1136145401.db2.gz PYESNYWQWWXXTP-MGPLVRAMSA-N -1 0 329.783 3.702 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)c2cc(C(=O)[O-])ccc2Cl)s1 ZINC000811819201 1136145584 /nfs/dbraw/zinc/14/55/84/1136145584.db2.gz JNDWNAQUYFLWPL-VIFPVBQESA-N -1 0 337.828 3.769 20 0 EHADRM CCCOc1ccc(CNC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000811822290 1136145843 /nfs/dbraw/zinc/14/58/43/1136145843.db2.gz DEGTVALCGWZMJW-UHFFFAOYSA-N -1 0 347.798 3.757 20 0 EHADRM Cc1ccc(NC(=O)Nc2c(C)cc(C)cc2S(=O)(=O)[O-])cc1 ZINC001202430414 1136147520 /nfs/dbraw/zinc/14/75/20/1136147520.db2.gz UDDLXZCESFNQJI-UHFFFAOYSA-N -1 0 334.397 3.503 20 0 EHADRM CC(C)c1scnc1C(=O)Nc1cccc(O)c1Br ZINC001158831954 1136213493 /nfs/dbraw/zinc/21/34/93/1136213493.db2.gz MWULTFNDMYKSFX-UHFFFAOYSA-N -1 0 341.230 3.987 20 0 EHADRM Cc1cc(Cl)c2ccccc2c1NC(=O)C(=O)[N-]OCC1CCC1 ZINC000850719395 1136297785 /nfs/dbraw/zinc/29/77/85/1136297785.db2.gz HTUIPAVUQUCZJH-UHFFFAOYSA-N -1 0 346.814 3.588 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H]1CCCC2(CC2)C1 ZINC000851043475 1136331667 /nfs/dbraw/zinc/33/16/67/1136331667.db2.gz OLISFKAPTLSNNY-HZPDHXFCSA-N -1 0 335.469 3.554 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]C(=O)C2CC3(C2)CCCCC3)s1 ZINC000851054399 1136333058 /nfs/dbraw/zinc/33/30/58/1136333058.db2.gz XEPRYOXUVLFXNO-UHFFFAOYSA-N -1 0 341.498 3.530 20 0 EHADRM Cc1ccc(N(C)C(=O)c2nn(-c3ccccc3)cc2[O-])cc1Cl ZINC000813452548 1136334508 /nfs/dbraw/zinc/33/45/08/1136334508.db2.gz MZGNDCWLIMLVCC-UHFFFAOYSA-N -1 0 341.798 3.816 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(/C=C/C(=O)[O-])o2)[C@@H]1c1cccc(F)c1 ZINC000851599719 1136395297 /nfs/dbraw/zinc/39/52/97/1136395297.db2.gz AXVDCIWSSSYOMI-UULLWKHXSA-N -1 0 343.354 3.740 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851597209 1136395475 /nfs/dbraw/zinc/39/54/75/1136395475.db2.gz ZYTDYZZTNMAMTK-HZRUHFOJSA-N -1 0 343.379 3.722 20 0 EHADRM CC(C)c1ccccc1C(=O)N[C@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC000851604721 1136395652 /nfs/dbraw/zinc/39/56/52/1136395652.db2.gz ADBAFHWKUJODEO-CQSZACIVSA-N -1 0 341.407 3.764 20 0 EHADRM O=C([O-])C[C@H](CNC(=O)c1sccc1-c1ccc(F)cc1)C1CC1 ZINC000851620906 1136396939 /nfs/dbraw/zinc/39/69/39/1136396939.db2.gz VTGPRGILNUGVBF-CYBMUJFWSA-N -1 0 347.411 3.785 20 0 EHADRM Cc1cc(F)c(C[N-]C(=O)C(F)(F)c2cc(F)cc(F)c2)c(F)c1 ZINC001134276436 1136441458 /nfs/dbraw/zinc/44/14/58/1136441458.db2.gz WRMMCKBVMXXBOW-UHFFFAOYSA-N -1 0 347.258 3.960 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1 ZINC000776628763 1136491714 /nfs/dbraw/zinc/49/17/14/1136491714.db2.gz LESMJLHEVKWSPM-SOGBHIHOSA-N -1 0 343.345 3.868 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1ccc(SC(F)(F)F)cc1)C1CCC1 ZINC000852961404 1136494089 /nfs/dbraw/zinc/49/40/89/1136494089.db2.gz MVBJEIHPYHYNND-GFCCVEGCSA-N -1 0 347.358 3.529 20 0 EHADRM Cn1cc(CCC(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)c2ccccc21 ZINC000776631649 1136494438 /nfs/dbraw/zinc/49/44/38/1136494438.db2.gz ORNRKRHVXSAETF-JYRVWZFOSA-N -1 0 348.402 3.847 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)n1 ZINC001135308692 1136656606 /nfs/dbraw/zinc/65/66/06/1136656606.db2.gz JXLRVDWCTBKVHF-CORIIIEPSA-N -1 0 345.418 3.580 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H]1CCCC1(C)C ZINC000816109997 1136677273 /nfs/dbraw/zinc/67/72/73/1136677273.db2.gz QKBNKCJCFXJWLV-CVEARBPZSA-N -1 0 337.485 3.656 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C1(C)CCCCC1 ZINC000816110549 1136677495 /nfs/dbraw/zinc/67/74/95/1136677495.db2.gz CCZGVPNPGNQLQE-MRXNPFEDSA-N -1 0 337.485 3.800 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C=C(C1CC1)C1CC1 ZINC000816110376 1136677514 /nfs/dbraw/zinc/67/75/14/1136677514.db2.gz XZZUIKHQMHGMER-LJQANCHMSA-N -1 0 347.480 3.576 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H](F)c1ccccc1 ZINC000816113602 1136677951 /nfs/dbraw/zinc/67/79/51/1136677951.db2.gz WSJOXFCAGFVPDO-DLBZAZTESA-N -1 0 349.427 3.541 20 0 EHADRM CCC[C@H](C(=O)[N-]S(=O)(=O)[C@H](c1ccccc1)C(C)C)C(C)C ZINC000816112311 1136678079 /nfs/dbraw/zinc/67/80/79/1136678079.db2.gz QSWYAGRMMWYHJG-IRXDYDNUSA-N -1 0 339.501 3.902 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)Nc3ccc(F)cc3F)c([O-])c2)o1 ZINC001135412564 1136679836 /nfs/dbraw/zinc/67/98/36/1136679836.db2.gz QNNGMYWWPICGFK-UHFFFAOYSA-N -1 0 343.285 3.995 20 0 EHADRM COc1ccc([C@@H](NC(=O)c2cc(F)cc(F)c2[O-])C2CC2)cc1 ZINC001135403748 1136681764 /nfs/dbraw/zinc/68/17/64/1136681764.db2.gz VINHLVVNGIUVDB-INIZCTEOSA-N -1 0 333.334 3.560 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000113696738 1136734435 /nfs/dbraw/zinc/73/44/35/1136734435.db2.gz QXPNMDYWMGDJSA-QZTJIDSGSA-N -1 0 345.464 3.578 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)Nc2cccc(F)c2)n1 ZINC001135687289 1136751760 /nfs/dbraw/zinc/75/17/60/1136751760.db2.gz OIRWFYWUFICMHX-UHFFFAOYSA-N -1 0 325.343 3.532 20 0 EHADRM C[C@H](NC(=O)c1ccc2oc(=S)[n-]c2c1)c1ccc(F)c(F)c1 ZINC000816813211 1136757311 /nfs/dbraw/zinc/75/73/11/1136757311.db2.gz KDMKMLODYIHBMV-QMMMGPOBSA-N -1 0 334.347 3.886 20 0 EHADRM CCC(CC)c1cc(CNC(=O)c2ccc3oc(=S)[n-]c3c2)on1 ZINC000816936074 1136767652 /nfs/dbraw/zinc/76/76/52/1136767652.db2.gz CXDPQCOAQXGDCR-UHFFFAOYSA-N -1 0 345.424 3.938 20 0 EHADRM O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccc(Cl)c([O-])c1 ZINC001135808376 1136775283 /nfs/dbraw/zinc/77/52/83/1136775283.db2.gz YEKCSGVMKCUECR-UHFFFAOYSA-N -1 0 327.670 3.619 20 0 EHADRM O=C(Nc1cnc(-c2ccccc2)nc1)c1cc(Cl)ccc1[O-] ZINC001135942256 1136820203 /nfs/dbraw/zinc/82/02/03/1136820203.db2.gz RPBWBIFEKFDNFQ-UHFFFAOYSA-N -1 0 325.755 3.755 20 0 EHADRM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CCc2sccc2C1 ZINC001135988784 1136832739 /nfs/dbraw/zinc/83/27/39/1136832739.db2.gz PTDZLSUZXDGKOG-UHFFFAOYSA-N -1 0 328.220 3.959 20 0 EHADRM CC1(C)C[C@H]1c1nc(-c2cc(F)c([O-])c(Br)c2)no1 ZINC000857093453 1136844202 /nfs/dbraw/zinc/84/42/02/1136844202.db2.gz NFQUZARBRZOZRQ-ZETCQYMHSA-N -1 0 327.153 3.857 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC(CC3CC3)C2)c(O)c1 ZINC000857408587 1136868719 /nfs/dbraw/zinc/86/87/19/1136868719.db2.gz MHBWNSXAOOYKRJ-UHFFFAOYSA-N -1 0 346.427 3.611 20 0 EHADRM CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)[N-]OCc1ccccc1 ZINC000857432733 1136870247 /nfs/dbraw/zinc/87/02/47/1136870247.db2.gz JVVHVGXQCQHRPD-KRWDZBQOSA-N -1 0 333.815 3.991 20 0 EHADRM O=C([N-][C@@H](c1nccs1)C(F)(F)F)C(F)(F)c1ccccc1 ZINC000818322307 1136870702 /nfs/dbraw/zinc/87/07/02/1136870702.db2.gz MRVOXURHCLULHU-VIFPVBQESA-N -1 0 336.285 3.655 20 0 EHADRM Cc1cc(OCC(=O)[N-]OCc2ccc(F)cc2)ccc1C(C)C ZINC000857485055 1136876518 /nfs/dbraw/zinc/87/65/18/1136876518.db2.gz PQKQQRSLQRTONR-UHFFFAOYSA-N -1 0 331.387 3.884 20 0 EHADRM O=C(N[C@@H]1CCSc2c(F)cccc21)c1cc(F)cc(F)c1[O-] ZINC001136193699 1136914608 /nfs/dbraw/zinc/91/46/08/1136914608.db2.gz DEHNPGWOAUDQOO-CYBMUJFWSA-N -1 0 339.338 3.776 20 0 EHADRM CC[C@@H](c1nnc(NC([O-])=NOCC2CCC2)s1)c1ccccc1 ZINC000820955227 1137011808 /nfs/dbraw/zinc/01/18/08/1137011808.db2.gz UEAYFDCXGBXOLT-CQSZACIVSA-N -1 0 346.456 3.933 20 0 EHADRM CC1CCC(CNC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])CC1 ZINC001136405949 1137013840 /nfs/dbraw/zinc/01/38/40/1137013840.db2.gz BVYRNAMXKFVQIH-UHFFFAOYSA-N -1 0 347.846 3.787 20 0 EHADRM CC(C)c1nc(/C=C/c2ccc(C(F)(F)F)[nH]2)ncc1C(=O)[O-] ZINC000821038324 1137014828 /nfs/dbraw/zinc/01/48/28/1137014828.db2.gz IDBHRXSSXPYFOQ-GQCTYLIASA-N -1 0 325.290 3.816 20 0 EHADRM O=C([N-]O[C@H]1CCCCO1)/C(F)=C\c1ccc(C(F)(F)F)cc1 ZINC001136460288 1137031059 /nfs/dbraw/zinc/03/10/59/1137031059.db2.gz XRXPQVYIVAQUSA-SRXBQZRASA-N -1 0 333.281 3.590 20 0 EHADRM CCCC[C@@H](NC(=O)/C=C/c1ccc2cc(OC)ccc2c1)C(=O)[O-] ZINC000821748572 1137037060 /nfs/dbraw/zinc/03/70/60/1137037060.db2.gz SLXNOANAFIDKJP-JGZYNSJSSA-N -1 0 341.407 3.621 20 0 EHADRM CSCCc1ccc(NC(=O)c2s[n-]c(=O)c2Cl)cc1 ZINC001136588729 1137063253 /nfs/dbraw/zinc/06/32/53/1137063253.db2.gz MPQGTSLLRGCZHP-UHFFFAOYSA-N -1 0 328.846 3.660 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)N3CCC[C@H](C4CC4)C3)c([O-])c2)o1 ZINC000822978009 1137079794 /nfs/dbraw/zinc/07/97/94/1137079794.db2.gz CJYRASUCKNDASG-HNNXBMFYSA-N -1 0 339.391 3.727 20 0 EHADRM Cc1nc(C(=O)N2CCc3cc(C(C)(C)C)ccc32)ccc1C(=O)[O-] ZINC000823328433 1137095260 /nfs/dbraw/zinc/09/52/60/1137095260.db2.gz SLHRZIUZHSQNMQ-UHFFFAOYSA-N -1 0 338.407 3.589 20 0 EHADRM CN(C(=O)CC1CC(c2ccccc2)C1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000823328492 1137095359 /nfs/dbraw/zinc/09/53/59/1137095359.db2.gz CDZOOYCZNVXEMZ-PKUWUEBNSA-N -1 0 337.419 3.855 20 0 EHADRM CCn1cc(N(CC(C)C)C(=O)c2ccc3oc(=S)[n-]c3c2)cn1 ZINC000823425959 1137101349 /nfs/dbraw/zinc/10/13/49/1137101349.db2.gz IAHZBJFMHKWCKO-UHFFFAOYSA-N -1 0 344.440 3.636 20 0 EHADRM CC(C)(C)C1CN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])C1 ZINC000823498822 1137102777 /nfs/dbraw/zinc/10/27/77/1137102777.db2.gz BIPSQOWZFIWAOK-UHFFFAOYSA-N -1 0 327.380 3.583 20 0 EHADRM O=C([N-]OCC1CCC1)c1ccc(-c2cccc(Cl)c2)[nH]c1=O ZINC000862233018 1137133690 /nfs/dbraw/zinc/13/36/90/1137133690.db2.gz PLOKWCBSAPYEIB-UHFFFAOYSA-N -1 0 332.787 3.569 20 0 EHADRM O=C(Nc1cc([C@H]2CCCO2)[nH]n1)c1cc(Cl)cc(Cl)c1[O-] ZINC000824456629 1137140044 /nfs/dbraw/zinc/14/00/44/1137140044.db2.gz ULYWUCJTXDBBMA-LLVKDONJSA-N -1 0 342.182 3.526 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)Nc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000824963923 1137159556 /nfs/dbraw/zinc/15/95/56/1137159556.db2.gz YCYUVWMVGPCVAH-STQMWFEESA-N -1 0 329.421 3.887 20 0 EHADRM CCCc1ccc(CCCC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC000844155077 1137199971 /nfs/dbraw/zinc/19/99/71/1137199971.db2.gz HSEUVIOXQLCPAI-MAUKXSAKSA-N -1 0 331.456 3.531 20 0 EHADRM CN(Cc1cccc(Cl)c1Cl)C(=O)C1(C(=O)[O-])CCCC1 ZINC000844155417 1137199998 /nfs/dbraw/zinc/19/99/98/1137199998.db2.gz QBUIKJJMDWRJJF-UHFFFAOYSA-N -1 0 330.211 3.597 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000864099187 1137214880 /nfs/dbraw/zinc/21/48/80/1137214880.db2.gz CZCJSNFVJNEFIP-YLJYHZDGSA-N -1 0 343.467 3.605 20 0 EHADRM O=C([O-])c1coc(/C=C/C(=O)N2CCCC[C@H]2Cc2ccccc2)c1 ZINC000864107791 1137215473 /nfs/dbraw/zinc/21/54/73/1137215473.db2.gz YCHVXRAQXBMWID-FVNWOWOISA-N -1 0 339.391 3.615 20 0 EHADRM Cc1ncc(C(=O)[O-])cc1C(=O)N1CCc2cc(C(C)(C)C)ccc21 ZINC000864108066 1137215479 /nfs/dbraw/zinc/21/54/79/1137215479.db2.gz KNRGEPQQPHVWKX-UHFFFAOYSA-N -1 0 338.407 3.589 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc(-c2ccccc2OC)s1 ZINC000864124320 1137216211 /nfs/dbraw/zinc/21/62/11/1137216211.db2.gz MYKJCOPTPOFUDG-GFCCVEGCSA-N -1 0 347.436 3.749 20 0 EHADRM CCCCC[C@H](NC(=O)CCc1ccc(C(F)F)cc1)C(=O)[O-] ZINC000864127255 1137216376 /nfs/dbraw/zinc/21/63/76/1137216376.db2.gz ZYUJTPDRVFHNHC-AWEZNQCLSA-N -1 0 327.371 3.707 20 0 EHADRM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000864129003 1137216475 /nfs/dbraw/zinc/21/64/75/1137216475.db2.gz CGJPLBIZFMJLMP-ODAKQPGBSA-N -1 0 343.354 3.535 20 0 EHADRM CCC(CC)(CNC(=O)Cc1csc2sc(C)cc12)C(=O)[O-] ZINC000864127359 1137216559 /nfs/dbraw/zinc/21/65/59/1137216559.db2.gz UHYBGYZPAHLABV-UHFFFAOYSA-N -1 0 339.482 3.821 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)/C=C\c1ccsc1C(F)(F)F ZINC000864133545 1137216722 /nfs/dbraw/zinc/21/67/22/1137216722.db2.gz RXHOVGXFVZYVLI-WYGGZMRJSA-N -1 0 347.358 3.636 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)CCc1cccc2ccccc21 ZINC000864140903 1137216839 /nfs/dbraw/zinc/21/68/39/1137216839.db2.gz DUNNGCGAKZEVMH-FQEVSTJZSA-N -1 0 327.424 3.778 20 0 EHADRM O=C([O-])c1coc(/C=C/C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000864143095 1137217206 /nfs/dbraw/zinc/21/72/06/1137217206.db2.gz BJMAEUVIARZWSW-OGWZURKVSA-N -1 0 343.354 3.583 20 0 EHADRM O=C([O-])[C@H]1CCCCCN1C(=O)c1cc2c(cccc2C2CC2)[nH]1 ZINC000864158520 1137217678 /nfs/dbraw/zinc/21/76/78/1137217678.db2.gz MVTRWVMABMEZSV-QGZVFWFLSA-N -1 0 326.396 3.515 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)/C=C\c2ccc(C(=O)[O-])o2)c(C)c1 ZINC000864177470 1137217842 /nfs/dbraw/zinc/21/78/42/1137217842.db2.gz FJOFANXLGZFQJR-YHAOYDPOSA-N -1 0 327.380 3.827 20 0 EHADRM CC(C)(CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21)c1ccc(F)cc1 ZINC000864174252 1137217892 /nfs/dbraw/zinc/21/78/92/1137217892.db2.gz DTAQJUKQBKUMJA-IKGGRYGDSA-N -1 0 347.430 3.595 20 0 EHADRM CCCCN(C(=O)/C=C/c1ccc(C(=O)[O-])o1)[C@@H]1CCCC[C@H]1OC ZINC000864179497 1137218156 /nfs/dbraw/zinc/21/81/56/1137218156.db2.gz XZOAJQFMSKBSHP-CJDUSVOKSA-N -1 0 349.427 3.577 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N[C@@](C)(CC(=O)[O-])C3CC3)[nH]c2c1 ZINC000864198873 1137218805 /nfs/dbraw/zinc/21/88/05/1137218805.db2.gz OBSXJYWERSKYMT-IBGZPJMESA-N -1 0 328.412 3.665 20 0 EHADRM Cc1cccc2sc(C(=O)N[C@@H]3C[C@H]4C[C@@]4(C(=O)[O-])C3)c(Cl)c21 ZINC000864210167 1137218859 /nfs/dbraw/zinc/21/88/59/1137218859.db2.gz RYPHANFDFSCXCS-YAXFVEMYSA-N -1 0 349.839 3.846 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)c1ccc(Oc2ccccc2)cc1)C1CC1 ZINC000864198590 1137218873 /nfs/dbraw/zinc/21/88/73/1137218873.db2.gz YBNWHMUOAIIILG-FQEVSTJZSA-N -1 0 339.391 3.852 20 0 EHADRM CC1(C)[C@@H](c2ccccc2F)CCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000864216783 1137219089 /nfs/dbraw/zinc/21/90/89/1137219089.db2.gz IXFXAAINFOEGAV-MRXNPFEDSA-N -1 0 341.382 3.932 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CC[C@@H](c2ccccc2F)C1(C)C ZINC000864218609 1137219156 /nfs/dbraw/zinc/21/91/56/1137219156.db2.gz YEINULQCFHNLTB-AWEZNQCLSA-N -1 0 335.419 3.811 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)[C@H]2C[C@]23CCc2ccccc23)c1 ZINC000864231565 1137219495 /nfs/dbraw/zinc/21/94/95/1137219495.db2.gz HWYTYKGKGNIVBV-DXIQSLLYSA-N -1 0 349.430 3.531 20 0 EHADRM O=C([O-])[C@H]1CCCCCN1C(=O)Nc1ccc(F)c(C(F)F)c1 ZINC000864585121 1137235655 /nfs/dbraw/zinc/23/56/55/1137235655.db2.gz RCEMGFBNUZTNJQ-GFCCVEGCSA-N -1 0 330.306 3.624 20 0 EHADRM C/C(=C\c1ccc(-c2cc(F)ccc2OC[C@H]2CCOC2)o1)C(=O)[O-] ZINC000864608492 1137236310 /nfs/dbraw/zinc/23/63/10/1137236310.db2.gz JOVWHSLLDNZKLP-RPHSKFLZSA-N -1 0 346.354 3.989 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(C2CC2)cc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000864607499 1137236535 /nfs/dbraw/zinc/23/65/35/1137236535.db2.gz SWDPPVSUPAUSTB-LEWSCRJBSA-N -1 0 348.418 3.960 20 0 EHADRM CCc1c(Cl)nc(C)nc1N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000844931768 1137263538 /nfs/dbraw/zinc/26/35/38/1137263538.db2.gz VWMPFPXAKVLBOG-KBPBESRZSA-N -1 0 331.803 3.726 20 0 EHADRM O=C([O-])CC1(Nc2nc(-c3cccnc3)nc3ccccc32)CCC1 ZINC000844931346 1137263832 /nfs/dbraw/zinc/26/38/32/1137263832.db2.gz QNMSQUIEGOUSDW-UHFFFAOYSA-N -1 0 334.379 3.501 20 0 EHADRM O=C(Cc1ccc(O)c(F)c1)Nc1ccc2[n-]c(=S)sc2c1 ZINC001144631319 1137320949 /nfs/dbraw/zinc/32/09/49/1137320949.db2.gz NPLOUTBUKBHIOM-UHFFFAOYSA-N -1 0 334.397 3.611 20 0 EHADRM O=C([O-])c1ccc(OCCN2CCc3c(F)cccc3C2)c(Cl)c1 ZINC000846245391 1137342714 /nfs/dbraw/zinc/34/27/14/1137342714.db2.gz FIDDMDAOMFFZEB-UHFFFAOYSA-N -1 0 349.789 3.614 20 0 EHADRM C[C@@]1(CCNC(=O)c2ccc3[n-]c(=S)oc3c2)C[C@]1(F)Cl ZINC000846406730 1137350813 /nfs/dbraw/zinc/35/08/13/1137350813.db2.gz OMENEPRGIRNVNY-ZIAGYGMSSA-N -1 0 328.796 3.551 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000846968063 1137379957 /nfs/dbraw/zinc/37/99/57/1137379957.db2.gz POSJXTVLXUHBLX-DAXOMENPSA-N -1 0 337.847 3.591 20 0 EHADRM Cc1n[nH]c(C(=O)NCC2(c3ccc(C(C)C)cc3)CCCC2)c1[O-] ZINC001145104031 1137385503 /nfs/dbraw/zinc/38/55/03/1137385503.db2.gz VSCYCJHICYUHDV-UHFFFAOYSA-N -1 0 341.455 3.789 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)NC[C@@H]3CCC[C@H]4C[C@H]43)c([O-])c2)o1 ZINC001147564137 1137410058 /nfs/dbraw/zinc/41/00/58/1137410058.db2.gz NSKFOZHEKYKHGM-RVSPLBMKSA-N -1 0 339.391 3.631 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cnn(CC3CCCC3)c2)c1 ZINC000868488617 1137411485 /nfs/dbraw/zinc/41/14/85/1137411485.db2.gz YRFDGJVQVWNFIR-UHFFFAOYSA-N -1 0 341.411 3.624 20 0 EHADRM C[C@H]1c2ccccc2OCCN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC001148120699 1137418566 /nfs/dbraw/zinc/41/85/66/1137418566.db2.gz UTBBSJYPMLUDPB-JTQLQIEISA-N -1 0 335.762 3.781 20 0 EHADRM COc1ccc(C(=O)Nc2ccc3[n-]c(=S)sc3c2)cc1O ZINC001148265663 1137421095 /nfs/dbraw/zinc/42/10/95/1137421095.db2.gz BGOJMSOSLJHYLT-UHFFFAOYSA-N -1 0 332.406 3.552 20 0 EHADRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N(C)c3ccccc3C)n2)c1 ZINC001148580977 1137429024 /nfs/dbraw/zinc/42/90/24/1137429024.db2.gz XDVIBLSOORULJZ-UHFFFAOYSA-N -1 0 339.370 3.610 20 0 EHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCC[C@H](c2cccnc2)C1 ZINC000869044486 1137434508 /nfs/dbraw/zinc/43/45/08/1137434508.db2.gz OLBYYVIYHZUNQJ-AWEZNQCLSA-N -1 0 339.420 3.531 20 0 EHADRM Cc1ccc2c(n[nH]c2NC(=O)c2cc(Cl)cc(Cl)c2[O-])n1 ZINC001148805830 1137435263 /nfs/dbraw/zinc/43/52/63/1137435263.db2.gz WETMHTFQNFXIRR-UHFFFAOYSA-N -1 0 337.166 3.531 20 0 EHADRM O=C(Nc1cnc2ccccc2n1)c1cc(Cl)cc(Cl)c1[O-] ZINC001148806042 1137435362 /nfs/dbraw/zinc/43/53/62/1137435362.db2.gz YKSQSMFVVHRVSD-UHFFFAOYSA-N -1 0 334.162 3.895 20 0 EHADRM O=C(Nc1ccnn1CC1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC001148805478 1137435399 /nfs/dbraw/zinc/43/53/99/1137435399.db2.gz OCHDYAWLPMHHNT-UHFFFAOYSA-N -1 0 326.183 3.558 20 0 EHADRM O=C(Nc1ccc2ncncc2c1)c1cc(Cl)cc(Cl)c1[O-] ZINC001148811345 1137435519 /nfs/dbraw/zinc/43/55/19/1137435519.db2.gz HOGXNWSBEWVZAC-UHFFFAOYSA-N -1 0 334.162 3.895 20 0 EHADRM COc1ccc(S[C@@H](C)C(=O)[N-]OCCCC(F)(F)F)cc1 ZINC000871212142 1137527588 /nfs/dbraw/zinc/52/75/88/1137527588.db2.gz YUTHHPWIBLTWIM-JTQLQIEISA-N -1 0 337.363 3.566 20 0 EHADRM CC(C)(C)O[C@@H](C(=O)[N-]OCCCC(F)(F)F)c1ccccc1 ZINC000871214601 1137527745 /nfs/dbraw/zinc/52/77/45/1137527745.db2.gz OPWIHMKVGQNGOM-CYBMUJFWSA-N -1 0 333.350 3.933 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCC[C@](F)(c2ccccc2)C1 ZINC000871372221 1137539854 /nfs/dbraw/zinc/53/98/54/1137539854.db2.gz OYAVQFSGEYWAQO-GOSISDBHSA-N -1 0 335.325 3.771 20 0 EHADRM O=c1c(F)c(C(F)(F)F)[n-]n1Cc1ccc(Cl)cc1Cl ZINC000871944298 1137563651 /nfs/dbraw/zinc/56/36/51/1137563651.db2.gz JZTAGVINNODJGL-QMMMGPOBSA-N -1 0 329.080 3.592 20 0 EHADRM O=c1cc(C2CCCC2)[n-]n1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000871951106 1137563656 /nfs/dbraw/zinc/56/36/56/1137563656.db2.gz JYOIYLRRAWKWAX-UHFFFAOYSA-N -1 0 330.775 3.673 20 0 EHADRM CC(C)c1cc([N-]S(=O)(=O)Cc2ccc(F)cc2Cl)no1 ZINC000872002705 1137564252 /nfs/dbraw/zinc/56/42/52/1137564252.db2.gz AFHVWAZCFYSKDO-UHFFFAOYSA-N -1 0 332.784 3.532 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2c(C)cccc2F)noc1C(C)(C)C ZINC000872007293 1137564338 /nfs/dbraw/zinc/56/43/38/1137564338.db2.gz OEVBAZFTOKLEBY-UHFFFAOYSA-N -1 0 326.393 3.529 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cnccc2C(F)(F)F)c(C)c1 ZINC000872011100 1137564514 /nfs/dbraw/zinc/56/45/14/1137564514.db2.gz XDLOAHHXMYUMGR-UHFFFAOYSA-N -1 0 344.358 3.826 20 0 EHADRM COCC1(N(C)Cc2csc(-c3cccc(C(=O)[O-])c3)n2)CCC1 ZINC000872170499 1137575063 /nfs/dbraw/zinc/57/50/63/1137575063.db2.gz CRJUGBKNLVVVJO-UHFFFAOYSA-N -1 0 346.452 3.509 20 0 EHADRM CCC(F)(F)c1ccccc1[N-]S(=O)(=O)C[C@@H](OC)C(C)C ZINC000872410164 1137579548 /nfs/dbraw/zinc/57/95/48/1137579548.db2.gz KLNDMZREYFOWPL-CQSZACIVSA-N -1 0 335.416 3.601 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)c1sccc1C(F)F ZINC000872727178 1137583252 /nfs/dbraw/zinc/58/32/52/1137583252.db2.gz ZFWBSWTXLSMVIB-NSHDSACASA-N -1 0 331.384 3.839 20 0 EHADRM O=C([O-])C1CCC(CC(=O)NCc2ccc(C(F)(F)F)s2)CC1 ZINC000872755492 1137583915 /nfs/dbraw/zinc/58/39/15/1137583915.db2.gz KUUGTIKWVUVYNM-UHFFFAOYSA-N -1 0 349.374 3.664 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)Nc1ccccc1CCC(F)(F)F ZINC000872847696 1137585431 /nfs/dbraw/zinc/58/54/31/1137585431.db2.gz BFYGLIAXKQZVAP-UHFFFAOYSA-N -1 0 349.374 3.716 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])C(=O)N[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000872851147 1137585589 /nfs/dbraw/zinc/58/55/89/1137585589.db2.gz QERKJETWNVOBBH-BMIGLBTASA-N -1 0 347.333 3.653 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)NCc1ccc(-c2cccs2)cc1 ZINC000872878642 1137585930 /nfs/dbraw/zinc/58/59/30/1137585930.db2.gz WFJDVYPKLBSYCH-UHFFFAOYSA-N -1 0 349.477 3.628 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000873000928 1137587697 /nfs/dbraw/zinc/58/76/97/1137587697.db2.gz AZLAMDZVUTZMTP-IUCAKERBSA-N -1 0 332.158 3.738 20 0 EHADRM C[C@H](NC(=O)CC1(CC(=O)[O-])CCCCC1)c1cc2cnccc2o1 ZINC000873001146 1137587745 /nfs/dbraw/zinc/58/77/45/1137587745.db2.gz GCXNNDNZAHZQHM-ZDUSSCGKSA-N -1 0 344.411 3.820 20 0 EHADRM C[C@@H](CC(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1F)c1ccccc1 ZINC000873567689 1137602642 /nfs/dbraw/zinc/60/26/42/1137602642.db2.gz UCTQQHOOFCODJA-KBPBESRZSA-N -1 0 349.427 3.527 20 0 EHADRM CCO[C@@H]1C[C@H](N(C)C(=O)c2c([O-])cccc2F)C12CCCCC2 ZINC001137083289 1137626061 /nfs/dbraw/zinc/62/60/61/1137626061.db2.gz HCEYVHHBTIOZJV-JKSUJKDBSA-N -1 0 335.419 3.731 20 0 EHADRM O=Cc1cc(-c2cccc(OC3CCCC3)c2)ccc1OCC(=O)[O-] ZINC000874969212 1137627207 /nfs/dbraw/zinc/62/72/07/1137627207.db2.gz KFOCCZBZHYSGJE-UHFFFAOYSA-N -1 0 340.375 3.951 20 0 EHADRM O=Cc1ccc(-c2cccc(C(=O)Nc3ccc(CC(=O)[O-])cc3)c2)o1 ZINC000874971345 1137627343 /nfs/dbraw/zinc/62/73/43/1137627343.db2.gz CKMLWZQPKMNKGH-UHFFFAOYSA-N -1 0 349.342 3.639 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)Nc3ccsc3C(=O)[O-])cc2)o1 ZINC000874971542 1137627386 /nfs/dbraw/zinc/62/73/86/1137627386.db2.gz LUYOPAOZAHMOIV-UHFFFAOYSA-N -1 0 341.344 3.771 20 0 EHADRM CCOC(=O)CCCCCCCNC(=O)c1ccc(Cl)c([O-])c1 ZINC001137115880 1137670926 /nfs/dbraw/zinc/67/09/26/1137670926.db2.gz JGNQDMUPNYJBQD-UHFFFAOYSA-N -1 0 341.835 3.679 20 0 EHADRM CN(Cc1cc(C(F)(F)F)co1)Cc1nc(=O)c2sccc2[n-]1 ZINC000878443410 1137716243 /nfs/dbraw/zinc/71/62/43/1137716243.db2.gz QBVJJOZVYRZFFI-UHFFFAOYSA-N -1 0 343.330 3.641 20 0 EHADRM O=C(Nc1cccc(O)c1F)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000127291427 1137726010 /nfs/dbraw/zinc/72/60/10/1137726010.db2.gz PSPAACZWYSAUPN-ZDUSSCGKSA-N -1 0 330.142 3.510 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@@]2(c3ccccc3)C[C@H](F)C2)c1 ZINC000879395506 1137746620 /nfs/dbraw/zinc/74/66/20/1137746620.db2.gz MRAZEVALODCMOH-RHDGDCLCSA-N -1 0 327.355 3.603 20 0 EHADRM Cc1ccsc1-c1nsc([N-]C(=O)c2cnc(C3CC3)o2)n1 ZINC000879517443 1137749710 /nfs/dbraw/zinc/74/97/10/1137749710.db2.gz RJXYWZAUSVLVAR-UHFFFAOYSA-N -1 0 332.410 3.693 20 0 EHADRM CC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc2cc(C)cnc21 ZINC000023371479 1137750062 /nfs/dbraw/zinc/75/00/62/1137750062.db2.gz CLFHYIOYQSTFHY-UHFFFAOYSA-N -1 0 340.404 3.547 20 0 EHADRM Cc1cc(NC(=O)c2c([O-])cnc3c(F)cccc32)cnc1Cl ZINC001137156841 1137780047 /nfs/dbraw/zinc/78/00/47/1137780047.db2.gz ZGTTZIJZFIIRHQ-UHFFFAOYSA-N -1 0 331.734 3.689 20 0 EHADRM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000130380106 1137836588 /nfs/dbraw/zinc/83/65/88/1137836588.db2.gz JGBCFVZZOVFGCO-UHFFFAOYSA-N -1 0 337.828 3.960 20 0 EHADRM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2C)c1 ZINC000130433976 1137837181 /nfs/dbraw/zinc/83/71/81/1137837181.db2.gz QVWYRJHRCLPQKB-UHFFFAOYSA-N -1 0 341.791 3.791 20 0 EHADRM CCc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)[C@@H](C)c2ccccc2)cc1 ZINC000131489182 1137854537 /nfs/dbraw/zinc/85/45/37/1137854537.db2.gz XAHOHOOPQZWWRN-GJZGRUSLSA-N -1 0 345.464 3.560 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)[nH][n-]2)o1 ZINC000332007828 1137928392 /nfs/dbraw/zinc/92/83/92/1137928392.db2.gz YTUBTISNMJFSNN-MNOVXSKESA-N -1 0 341.333 3.707 20 0 EHADRM CCCc1nc(=NC(=O)N2CCC(c3ccccc3C)CC2)s[n-]1 ZINC000332182828 1137934865 /nfs/dbraw/zinc/93/48/65/1137934865.db2.gz ZIHCGRQQKUZKNR-UHFFFAOYSA-N -1 0 344.484 3.632 20 0 EHADRM CO[N-]C(=O)C(=O)Nc1ccc(Sc2ccc(C(C)C)cc2)cc1 ZINC000134758662 1137960707 /nfs/dbraw/zinc/96/07/07/1137960707.db2.gz METZNILGGWRECN-UHFFFAOYSA-N -1 0 344.436 3.577 20 0 EHADRM CC[C@@H](C)c1ccc(NC(=O)Cc2nc(=O)c3sccc3[n-]2)cc1 ZINC000053847760 1138048172 /nfs/dbraw/zinc/04/81/72/1138048172.db2.gz LEXVZWPPYUAPPP-LLVKDONJSA-N -1 0 341.436 3.679 20 0 EHADRM CC[C@H](C)c1ccc(NC(=O)Cc2nc(=O)c3sccc3[n-]2)cc1 ZINC000053847761 1138048236 /nfs/dbraw/zinc/04/82/36/1138048236.db2.gz LEXVZWPPYUAPPP-NSHDSACASA-N -1 0 341.436 3.679 20 0 EHADRM CC(C)c1ccc(-c2nc(CS(=O)(=O)c3ncc[n-]3)cs2)cc1 ZINC000078818388 1138153098 /nfs/dbraw/zinc/15/30/98/1138153098.db2.gz AIDAUWWZDSYDIA-UHFFFAOYSA-N -1 0 347.465 3.631 20 0 EHADRM CC1(C)C(NC(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])C1(C)C ZINC001137231552 1138181784 /nfs/dbraw/zinc/18/17/84/1138181784.db2.gz WIQAXZNIESHNQD-UHFFFAOYSA-N -1 0 327.380 3.629 20 0 EHADRM CC(C)c1ccc(N2Cc3ccc(NC(=O)c4cn[nH]n4)cc3C2)cc1 ZINC000093026768 1138233419 /nfs/dbraw/zinc/23/34/19/1138233419.db2.gz JSQAILGJJSYCFL-UHFFFAOYSA-N -1 0 347.422 3.701 20 0 EHADRM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000887306113 1138260006 /nfs/dbraw/zinc/26/00/06/1138260006.db2.gz JNBMPERXHIHOSH-FVTGEYKSSA-N -1 0 345.826 3.526 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])C(=O)N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000887315036 1138262482 /nfs/dbraw/zinc/26/24/82/1138262482.db2.gz KUQXUCANGKWSCV-ZENOOKHLSA-N -1 0 343.345 3.569 20 0 EHADRM CC(C)(CCC(=O)[O-])C(=O)N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000887314906 1138262564 /nfs/dbraw/zinc/26/25/64/1138262564.db2.gz HVZZEJCMQCCJRW-QWHCGFSZSA-N -1 0 343.345 3.569 20 0 EHADRM O=C([O-])c1c(F)cc(Nc2ccc3c(c2)CCCC(=O)N3)cc1F ZINC001203329618 1138275073 /nfs/dbraw/zinc/27/50/73/1138275073.db2.gz GFWWRTONHXXWIQ-UHFFFAOYSA-N -1 0 332.306 3.681 20 0 EHADRM C[C@H]1c2cccn2CCN1Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000263875371 1138384396 /nfs/dbraw/zinc/38/43/96/1138384396.db2.gz IPWWDPWKMSDIDF-NSHDSACASA-N -1 0 344.798 3.530 20 0 EHADRM Cc1noc(C)c1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1F ZINC000337150521 1138480130 /nfs/dbraw/zinc/48/01/30/1138480130.db2.gz IXNHHQPKEDTBHX-UHFFFAOYSA-N -1 0 339.175 3.538 20 0 EHADRM CCc1nc([C@@H](C)NC(=O)CC2(CC(=O)[O-])CCCCC2)cs1 ZINC000264784535 1138638664 /nfs/dbraw/zinc/63/86/64/1138638664.db2.gz VNOOTRONXZLART-GFCCVEGCSA-N -1 0 338.473 3.698 20 0 EHADRM CC[C@@H](Oc1ccccc1Cl)C(=O)N(CC(=O)[O-])c1ccccc1 ZINC000337758033 1138660733 /nfs/dbraw/zinc/66/07/33/1138660733.db2.gz UPAWEPNJJMXPSH-OAHLLOKOSA-N -1 0 347.798 3.615 20 0 EHADRM CO[C@H](C)c1nc(=N[C@@H](C)c2nc(-c3ccccc3)cs2)s[n-]1 ZINC000337911215 1138696925 /nfs/dbraw/zinc/69/69/25/1138696925.db2.gz IZXNOUAZPBZWHZ-WDEREUQCSA-N -1 0 346.481 3.964 20 0 EHADRM CCC[C@@H](C)C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000265060024 1138715661 /nfs/dbraw/zinc/71/56/61/1138715661.db2.gz SWCVUIWMCALRJU-CQSZACIVSA-N -1 0 346.452 3.862 20 0 EHADRM Cc1c(F)nccc1Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1 ZINC001212843930 1138753849 /nfs/dbraw/zinc/75/38/49/1138753849.db2.gz OMHOCHUFFUIFQN-UHFFFAOYSA-N -1 0 332.356 3.673 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)c2nc(-c3ccccc3)cs2)s1 ZINC000338163895 1138771372 /nfs/dbraw/zinc/77/13/72/1138771372.db2.gz WMGWMBDTUCEWTP-UHFFFAOYSA-N -1 0 344.465 3.534 20 0 EHADRM COc1ccccc1[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000348475537 1138829204 /nfs/dbraw/zinc/82/92/04/1138829204.db2.gz OBSOPFJHCSFYMH-UHFFFAOYSA-N -1 0 335.356 3.690 20 0 EHADRM C[C@@H]1C[C@@H](CCNC(=O)CC2(CC(=O)[O-])CCCCC2)C[C@H](C)O1 ZINC000338411503 1138901031 /nfs/dbraw/zinc/90/10/31/1138901031.db2.gz POJSHAUVEDSJMD-MUJYYYPQSA-N -1 0 339.476 3.512 20 0 EHADRM Cc1ccc(C)c(NC(=O)Nc2c(C)cc(C)cc2S(=O)(=O)[O-])c1 ZINC001202768175 1139446300 /nfs/dbraw/zinc/44/63/00/1139446300.db2.gz NGMBRDAKNQCPRR-UHFFFAOYSA-N -1 0 348.424 3.811 20 0 EHADRM C[C@H](OCCCNC(=O)c1cc(F)c([O-])c(F)c1)c1ccccc1 ZINC000177020151 1139593602 /nfs/dbraw/zinc/59/36/02/1139593602.db2.gz KMMAWIONCPYNRG-LBPRGKRZSA-N -1 0 335.350 3.568 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N2CCC[C@@H]2c2ccccc2Cl)C1 ZINC000180112297 1139810345 /nfs/dbraw/zinc/81/03/45/1139810345.db2.gz XRAXPBBDGFSUNR-HEHGZKQESA-N -1 0 335.831 3.895 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)C[C@H]2CCCC[C@@H]2C)c1Cl ZINC000777356863 1139820764 /nfs/dbraw/zinc/82/07/64/1139820764.db2.gz YZVGLIUQKWOIRI-WCQYABFASA-N -1 0 343.876 3.670 20 0 EHADRM O=C(N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1cc(F)c([O-])c(F)c1 ZINC000186933261 1140228853 /nfs/dbraw/zinc/22/88/53/1140228853.db2.gz FDEHFPQBRUBQJW-YVEFUNNKSA-N -1 0 347.361 3.568 20 0 EHADRM CC[C@H](C)n1ncc(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1C1CC1 ZINC000191035170 1140432064 /nfs/dbraw/zinc/43/20/64/1140432064.db2.gz QXKMZKSVIYFNRS-LBPRGKRZSA-N -1 0 341.411 3.990 20 0 EHADRM C[C@@H](c1nc2ccccc2s1)N(C)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000191572935 1140473390 /nfs/dbraw/zinc/47/33/90/1140473390.db2.gz MROALCHEDGPBSQ-AVGNSLFASA-N -1 0 346.452 3.707 20 0 EHADRM C[C@@H](CN(C)C(=O)c1cc(F)c([O-])c(Cl)c1)c1nccs1 ZINC000192480291 1140535398 /nfs/dbraw/zinc/53/53/98/1140535398.db2.gz PBLHZZCOSNZNJL-QMMMGPOBSA-N -1 0 328.796 3.517 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000194261738 1140603841 /nfs/dbraw/zinc/60/38/41/1140603841.db2.gz FFBOHCNKGZHUHZ-ZDUSSCGKSA-N -1 0 344.377 3.760 20 0 EHADRM O=C([O-])[C@H]1CC[C@@H](NC(=O)CCCc2csc3ccccc23)C1 ZINC000194491187 1140611689 /nfs/dbraw/zinc/61/16/89/1140611689.db2.gz LEBMLWSTTLXPDA-GXTWGEPZSA-N -1 0 331.437 3.594 20 0 EHADRM O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)c1cc(F)c([O-])c(Cl)c1 ZINC000194547496 1140613386 /nfs/dbraw/zinc/61/33/86/1140613386.db2.gz HDFPQLUANUZWRD-JKSUJKDBSA-N -1 0 349.789 3.835 20 0 EHADRM CCc1nc([C@H](C)NC(=O)c2cc(F)c([O-])c(Cl)c2)cs1 ZINC000194693964 1140619257 /nfs/dbraw/zinc/61/92/57/1140619257.db2.gz HAHRHRVLKVPRTR-ZETCQYMHSA-N -1 0 328.796 3.695 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCS[C@H]2CCCC[C@H]21 ZINC000194819000 1140623571 /nfs/dbraw/zinc/62/35/71/1140623571.db2.gz LUWCWPKFBSJJJC-OLZOCXBDSA-N -1 0 329.824 3.685 20 0 EHADRM Cc1cc(NC(=O)CC(C)(C)C(=O)[O-])ccc1Oc1ccncc1 ZINC000195218240 1140634270 /nfs/dbraw/zinc/63/42/70/1140634270.db2.gz OIUKOCZBQNUFEB-UHFFFAOYSA-N -1 0 328.368 3.622 20 0 EHADRM CO[C@H](C)c1nc(=NC(=O)N(C)[C@H](C)c2ccc(C)cc2C)s[n-]1 ZINC000350655854 1140692326 /nfs/dbraw/zinc/69/23/26/1140692326.db2.gz XVMQDUBOMJHVAX-CHWSQXEVSA-N -1 0 348.472 3.509 20 0 EHADRM CC(C)CN(C(=O)CSc1n[n-]c(=S)s1)c1ccccc1 ZINC000267032472 1140752520 /nfs/dbraw/zinc/75/25/20/1140752520.db2.gz SALFCQVUFQNNRY-UHFFFAOYSA-N -1 0 339.511 3.608 20 0 EHADRM CC1(C)CN(Cc2nc(=O)c3sccc3[n-]2)Cc2ccccc21 ZINC000270362873 1141213034 /nfs/dbraw/zinc/21/30/34/1141213034.db2.gz KTISMHWUECOPAC-UHFFFAOYSA-N -1 0 325.437 3.690 20 0 EHADRM CC(C)OCCC(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000270671289 1141254367 /nfs/dbraw/zinc/25/43/67/1141254367.db2.gz RLIKCLFMNFVUDN-UHFFFAOYSA-N -1 0 336.613 3.562 20 0 EHADRM C[C@](O)(CC(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl)C1CC1 ZINC000270963238 1141287309 /nfs/dbraw/zinc/28/73/09/1141287309.db2.gz APQOEISYQHKYEW-ZDUSSCGKSA-N -1 0 338.618 3.842 20 0 EHADRM CC(C)(C)C(=O)NCCCC(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000271288501 1141339844 /nfs/dbraw/zinc/33/98/44/1141339844.db2.gz LVEGBBZIZSCTJF-UHFFFAOYSA-N -1 0 347.242 3.580 20 0 EHADRM Cc1ncc(-c2ccc(NC(=O)c3s[n-]c(=O)c3Cl)cc2)o1 ZINC000339244242 1141539050 /nfs/dbraw/zinc/53/90/50/1141539050.db2.gz ZRRUZJZKYPGYPO-UHFFFAOYSA-N -1 0 335.772 3.718 20 0 EHADRM O=C(CCc1cc2ccccc2[nH]c1=O)Nc1ccc(Cl)cc1O ZINC000348684099 1141566459 /nfs/dbraw/zinc/56/64/59/1141566459.db2.gz AZTCUAXKFZZATO-UHFFFAOYSA-N -1 0 342.782 3.871 20 0 EHADRM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1s[n-]c(=O)c1Cl ZINC000283227091 1141576275 /nfs/dbraw/zinc/57/62/75/1141576275.db2.gz BCUCUIGWPZHTEL-JVXZTZIISA-N -1 0 340.807 3.695 20 0 EHADRM CC(=O)c1cc(NC(=O)CC2(CC(=O)[O-])CCCCC2)ccc1F ZINC000348995741 1141619263 /nfs/dbraw/zinc/61/92/63/1141619263.db2.gz NZOMMQGMKBNCOF-UHFFFAOYSA-N -1 0 335.375 3.782 20 0 EHADRM C[C@H](Cc1n[n-]c(=NCc2ncc(Cl)s2)o1)CC(C)(C)C ZINC000349081177 1141634956 /nfs/dbraw/zinc/63/49/56/1141634956.db2.gz NCEAMISIJXDNCT-SECBINFHSA-N -1 0 328.869 3.828 20 0 EHADRM Cc1c(NS(=O)(=O)c2ccc(C(C)C)cc2)cccc1C(=O)[O-] ZINC000068182771 215287285 /nfs/dbraw/zinc/28/72/85/215287285.db2.gz IKVVWMNCGHCYMJ-UHFFFAOYSA-N -1 0 333.409 3.617 20 0 EHADRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000037985248 213183348 /nfs/dbraw/zinc/18/33/48/213183348.db2.gz GXVQGLPPBHQARZ-UHFFFAOYSA-N -1 0 341.216 3.698 20 0 EHADRM Cc1ccc(O)c([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000037746337 213164509 /nfs/dbraw/zinc/16/45/09/213164509.db2.gz BQCDXKKNSIYRIG-UHFFFAOYSA-N -1 0 338.237 3.870 20 0 EHADRM Cc1cc(Br)ccc1C(=O)NCCCCCCC(=O)[O-] ZINC000036829368 526163647 /nfs/dbraw/zinc/16/36/47/526163647.db2.gz HDRXBNFZWWFUMY-UHFFFAOYSA-N -1 0 342.233 3.522 20 0 EHADRM C[C@@H]1C[C@H](c2cccnc2)N(C(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000192481383 564090232 /nfs/dbraw/zinc/09/02/32/564090232.db2.gz INYRTSFDJDOTSR-MEBBXXQBSA-N -1 0 334.778 3.803 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)Nc2ccc(SC3CCCC3)cc2)C1 ZINC000263511635 596909067 /nfs/dbraw/zinc/90/90/67/596909067.db2.gz YAMFNUYOTNSHET-GFCCVEGCSA-N -1 0 334.441 3.660 20 0 EHADRM CC[C@@H](C)Sc1ccc(NC(=O)N2CC[C@@H](C(=O)[O-])C2)c(C)c1 ZINC000263511639 596910842 /nfs/dbraw/zinc/91/08/42/596910842.db2.gz YAQOOQYJVMOBCH-CHWSQXEVSA-N -1 0 336.457 3.824 20 0 EHADRM CC(C)[C@H](NC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000262931870 596940002 /nfs/dbraw/zinc/94/00/02/596940002.db2.gz GMUGSJIQGIXYCV-HNNXBMFYSA-N -1 0 338.835 3.543 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000054296650 597049481 /nfs/dbraw/zinc/04/94/81/597049481.db2.gz CEUWQZMANVBXDL-SECBINFHSA-N -1 0 331.199 3.712 20 0 EHADRM C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)CSCC(=O)[O-] ZINC000581270151 597086380 /nfs/dbraw/zinc/08/63/80/597086380.db2.gz JSTZAMLHBZBPKK-ZDUSSCGKSA-N -1 0 349.477 3.656 20 0 EHADRM CC[C@H](C)Sc1ccc(NC(=O)CSCC(=O)[O-])c(C)c1 ZINC000573488235 597090690 /nfs/dbraw/zinc/09/06/90/597090690.db2.gz HYXLTBLJINSWLD-NSHDSACASA-N -1 0 327.471 3.642 20 0 EHADRM C[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737720814 597182571 /nfs/dbraw/zinc/18/25/71/597182571.db2.gz KKWCWSVELUYSQK-GFCCVEGCSA-N -1 0 330.359 3.678 20 0 EHADRM CCOc1cccc([C@H](C)NC(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000737887139 597201658 /nfs/dbraw/zinc/20/16/58/597201658.db2.gz VDDUIMPGUPDLCB-ZDUSSCGKSA-N -1 0 342.395 3.595 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2ccccc2CCC(F)(F)F)CCCC1 ZINC000819220067 597211167 /nfs/dbraw/zinc/21/11/67/597211167.db2.gz YKTHAIFWUNTUTA-UHFFFAOYSA-N -1 0 344.333 3.700 20 0 EHADRM Cc1cc(C[S@](=O)Cc2ccc(C(=O)[O-])cc2)c2ccccc2n1 ZINC000818820455 597285921 /nfs/dbraw/zinc/28/59/21/597285921.db2.gz LDFOPTFMGYFKKC-XMMPIXPASA-N -1 0 339.416 3.690 20 0 EHADRM CC(C)N(Cc1cccs1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000320107130 597329342 /nfs/dbraw/zinc/32/93/42/597329342.db2.gz GFDXWMANVPIHTG-UHFFFAOYSA-N -1 0 332.425 3.818 20 0 EHADRM Cc1c2ccccc2oc1CNC(=O)Nc1ccccc1CC(=O)[O-] ZINC000818772642 597330189 /nfs/dbraw/zinc/33/01/89/597330189.db2.gz BOCONZQSSJGKCL-UHFFFAOYSA-N -1 0 338.363 3.690 20 0 EHADRM CCc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2CC(=O)[O-])o1 ZINC000818335789 597333046 /nfs/dbraw/zinc/33/30/46/597333046.db2.gz HWBAMBQVLIHYMO-MRXNPFEDSA-N -1 0 342.395 3.838 20 0 EHADRM CCc1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2CC(=O)[O-])o1 ZINC000818335788 597333446 /nfs/dbraw/zinc/33/34/46/597333446.db2.gz HWBAMBQVLIHYMO-INIZCTEOSA-N -1 0 342.395 3.838 20 0 EHADRM CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818143668 597335009 /nfs/dbraw/zinc/33/50/09/597335009.db2.gz KKNXPLPFCMBQKQ-KRWDZBQOSA-N -1 0 341.411 3.714 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N1CCC[C@@H]1c1ccsc1 ZINC000819610811 597340552 /nfs/dbraw/zinc/34/05/52/597340552.db2.gz VAUXTSKCLAJHON-OAHLLOKOSA-N -1 0 330.409 3.744 20 0 EHADRM CCC[C@@H](Cc1ccccc1)NC(=O)Nc1ccccc1CC(=O)[O-] ZINC000818156999 597343457 /nfs/dbraw/zinc/34/34/57/597343457.db2.gz HTZIXASQFQUNQG-KRWDZBQOSA-N -1 0 340.423 3.847 20 0 EHADRM CN(Cc1cc2ccccc2o1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000818473639 597411295 /nfs/dbraw/zinc/41/12/95/597411295.db2.gz ZPWBJVBOOUPPMH-UHFFFAOYSA-N -1 0 338.363 3.724 20 0 EHADRM O=C([O-])c1ccnc(N2CCC[C@H]2c2nc3ccccc3s2)c1 ZINC000821553238 598218896 /nfs/dbraw/zinc/21/88/96/598218896.db2.gz HWCCNFHRPFUQDB-ZDUSSCGKSA-N -1 0 325.393 3.731 20 0 EHADRM Cc1c(Br)cccc1C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000088440230 600966448 /nfs/dbraw/zinc/96/64/48/600966448.db2.gz SRDSLXYTXAASSN-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000321412270 599703467 /nfs/dbraw/zinc/70/34/67/599703467.db2.gz RLBTYEQBFUYVMR-SECBINFHSA-N -1 0 337.734 3.583 20 0 EHADRM C[C@@H](SCC(=O)[O-])C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000736709445 599705366 /nfs/dbraw/zinc/70/53/66/599705366.db2.gz QWWDXCJHEMWDTO-ZCFIWIBFSA-N -1 0 341.738 3.504 20 0 EHADRM Cc1ccc(OCCCCNC(=O)c2ccccc2NC(=O)[O-])cc1 ZINC000738643907 599709533 /nfs/dbraw/zinc/70/95/33/599709533.db2.gz REJMTMKINXFAJU-UHFFFAOYSA-N -1 0 342.395 3.674 20 0 EHADRM CCCC[C@@H](Sc1nncn1-c1cccc(Cl)c1)C(=O)[O-] ZINC000736984411 599710053 /nfs/dbraw/zinc/71/00/53/599710053.db2.gz HGOFLZJCRCNLIK-GFCCVEGCSA-N -1 0 325.821 3.656 20 0 EHADRM C[C@@H](CCc1ccco1)NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736560608 599716104 /nfs/dbraw/zinc/71/61/04/599716104.db2.gz HCGUIMUBKUJPFQ-JTQLQIEISA-N -1 0 335.335 3.651 20 0 EHADRM CCOc1ccccc1CNC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000737210194 599718011 /nfs/dbraw/zinc/71/80/11/599718011.db2.gz BZFAXFSIJBAXRM-UHFFFAOYSA-N -1 0 347.346 3.636 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)Cc1ccccc1C(F)(F)F ZINC000128690250 599723902 /nfs/dbraw/zinc/72/39/02/599723902.db2.gz QRWBNNBHCIRLJE-UHFFFAOYSA-N -1 0 337.297 3.893 20 0 EHADRM O=C([O-])NCCCC(=O)N[C@H](CCc1ccccc1)c1ccccc1 ZINC000739961740 599724321 /nfs/dbraw/zinc/72/43/21/599724321.db2.gz BYQOTXZIZUIPPH-GOSISDBHSA-N -1 0 340.423 3.525 20 0 EHADRM Cc1c(NC(=O)c2ccc(-n3cccc3)c(F)c2)cccc1C(=O)[O-] ZINC000675966074 599730228 /nfs/dbraw/zinc/73/02/28/599730228.db2.gz IDAKGPSMIPKPBI-UHFFFAOYSA-N -1 0 338.338 3.875 20 0 EHADRM CCC[C@H](NC(=O)CCCNC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000736969960 599730808 /nfs/dbraw/zinc/73/08/08/599730808.db2.gz KHAHUDVENQOAJI-ZDUSSCGKSA-N -1 0 346.349 3.711 20 0 EHADRM O=C([O-])NCCCC(=O)N[C@H](CC1CCCCC1)c1ccccc1 ZINC000739965525 599731010 /nfs/dbraw/zinc/73/10/10/599731010.db2.gz WLZKIFANWVLFHR-QGZVFWFLSA-N -1 0 332.444 3.862 20 0 EHADRM CN(CCCC(=O)Nc1ccc(-c2ccccc2)cc1F)C(=O)[O-] ZINC000737429975 599731849 /nfs/dbraw/zinc/73/18/49/599731849.db2.gz SHRBFNFYVZTGHU-UHFFFAOYSA-N -1 0 330.359 3.821 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)/C=C/c1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000736870112 599732270 /nfs/dbraw/zinc/73/22/70/599732270.db2.gz JIJNWZTVQHZUBZ-GBGXESKGSA-N -1 0 345.439 3.637 20 0 EHADRM C[C@H](SCCOc1cccc(C(=O)[O-])c1)c1nc(C2CC2)no1 ZINC000736708545 599734560 /nfs/dbraw/zinc/73/45/60/599734560.db2.gz IVZPQKUFGFROMK-JTQLQIEISA-N -1 0 334.397 3.518 20 0 EHADRM CCc1cccc2c1OCC[C@H]2NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000737273069 599736443 /nfs/dbraw/zinc/73/64/43/599736443.db2.gz WMCGDBBMHXHRFO-MRXNPFEDSA-N -1 0 340.379 3.593 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C)C(=O)[O-] ZINC000737234657 599744499 /nfs/dbraw/zinc/74/44/99/599744499.db2.gz WGRJHFXRNKJTMH-ZQIUZPCESA-N -1 0 335.444 3.501 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N(CCC(=O)[O-])Cc2ccccc2)cc1 ZINC000675946743 599745099 /nfs/dbraw/zinc/74/50/99/599745099.db2.gz JCIPCPGCJZZLJG-INIZCTEOSA-N -1 0 339.435 3.856 20 0 EHADRM O=C([O-])CSCCC(=O)Nc1ccc(-c2ccccc2)cc1F ZINC000739849606 599745590 /nfs/dbraw/zinc/74/55/90/599745590.db2.gz NTCRCAIZBMYAHI-UHFFFAOYSA-N -1 0 333.384 3.639 20 0 EHADRM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1cccc(-c2ccc3ccccc3c2)n1 ZINC000739553838 599750034 /nfs/dbraw/zinc/75/00/34/599750034.db2.gz RZSMEGNGCASTKP-CVEARBPZSA-N -1 0 332.359 3.561 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)cc1 ZINC000238026920 599753864 /nfs/dbraw/zinc/75/38/64/599753864.db2.gz UMAHLQPLBOEBJA-KRWDZBQOSA-N -1 0 327.355 3.795 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)NCc2ccc(F)c(Cl)c2)c1 ZINC000320467493 599755815 /nfs/dbraw/zinc/75/58/15/599755815.db2.gz MBXINLIZCWTCHB-UHFFFAOYSA-N -1 0 340.713 3.638 20 0 EHADRM CN(CCc1cccc2ccccc21)C(=O)NCCCCCC(=O)[O-] ZINC000414625114 599761932 /nfs/dbraw/zinc/76/19/32/599761932.db2.gz JXZYXKADCQOTJL-UHFFFAOYSA-N -1 0 342.439 3.669 20 0 EHADRM Cc1nc(-c2ccsc2)ccc1C(=O)OCc1ccc(C(=O)[O-])o1 ZINC000738839467 599765202 /nfs/dbraw/zinc/76/52/02/599765202.db2.gz LBACZTZUPGXCQC-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000738838469 599765296 /nfs/dbraw/zinc/76/52/96/599765296.db2.gz YDVYFNBPKMBBAD-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2csc3c2CCCC3)cc1 ZINC000238059566 599767994 /nfs/dbraw/zinc/76/79/94/599767994.db2.gz NHFCOVWSCFCFJI-UHFFFAOYSA-N -1 0 329.421 3.896 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000238064361 599768084 /nfs/dbraw/zinc/76/80/84/599768084.db2.gz FVADGGXSDOPYDT-UHFFFAOYSA-N -1 0 327.424 3.859 20 0 EHADRM Cc1nc(-c2ccco2)ccc1C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000738336232 599769562 /nfs/dbraw/zinc/76/95/62/599769562.db2.gz CTANSSLLQPQWTQ-UHFFFAOYSA-N -1 0 338.319 3.959 20 0 EHADRM Cc1nc(CN(C)[C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)oc1C ZINC000738854037 599770814 /nfs/dbraw/zinc/77/08/14/599770814.db2.gz CEFSEFMXHGVPTF-AWEZNQCLSA-N -1 0 343.210 3.856 20 0 EHADRM CC(C)(C)c1csc(CCNc2nc(Cl)c(C(=O)[O-])s2)n1 ZINC000736300082 599778300 /nfs/dbraw/zinc/77/83/00/599778300.db2.gz SRQJMKLZRLUZOV-UHFFFAOYSA-N -1 0 345.877 3.903 20 0 EHADRM CCCC[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC000736986089 599781638 /nfs/dbraw/zinc/78/16/38/599781638.db2.gz STGCHMFDDBRKBS-HOCLYGCPSA-N -1 0 348.443 3.552 20 0 EHADRM CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000736904504 599789237 /nfs/dbraw/zinc/78/92/37/599789237.db2.gz COQAUQMKYAQQIH-AWEZNQCLSA-N -1 0 330.359 3.667 20 0 EHADRM O=C([O-])c1ccccc1C(=O)OCCOc1cccc2ccccc21 ZINC000740240766 599789470 /nfs/dbraw/zinc/78/94/70/599789470.db2.gz FXXCWTHCGCIEJD-UHFFFAOYSA-N -1 0 336.343 3.774 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)c1ccc(-c2ccco2)nc1C ZINC000738838001 599790194 /nfs/dbraw/zinc/79/01/94/599790194.db2.gz IYUMUEKUNHRBFQ-UHFFFAOYSA-N -1 0 341.319 3.607 20 0 EHADRM Cc1ccccc1[C@H](OC(=O)CCCNC(=O)[O-])c1cccs1 ZINC000738758907 599801026 /nfs/dbraw/zinc/80/10/26/599801026.db2.gz SRNRNWXTZIZRND-INIZCTEOSA-N -1 0 333.409 3.737 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccs2)c(OCC(F)(F)F)c1 ZINC000740157126 599801057 /nfs/dbraw/zinc/80/10/57/599801057.db2.gz MLWWOXCNDYZAHT-UHFFFAOYSA-N -1 0 345.298 3.640 20 0 EHADRM O=C([O-])c1coc(CSc2nnc3sc4ccccc4n23)c1 ZINC000740269244 599803342 /nfs/dbraw/zinc/80/33/42/599803342.db2.gz LHQFTLAQPAXYNR-UHFFFAOYSA-N -1 0 331.378 3.528 20 0 EHADRM COc1ccc(OC)c(NC(=S)Nc2cccc(NC(=O)[O-])c2)c1 ZINC000738047284 599806610 /nfs/dbraw/zinc/80/66/10/599806610.db2.gz FYYHZOZKLHJXNR-UHFFFAOYSA-N -1 0 347.396 3.603 20 0 EHADRM Cc1cccc2c1CCN(C(=O)Nc1cc(C(=O)[O-])c(F)cc1F)C2 ZINC000738747530 599817182 /nfs/dbraw/zinc/81/71/82/599817182.db2.gz IZVWAGVAGPMYIV-UHFFFAOYSA-N -1 0 346.333 3.562 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(C)c1)c1nc(C)cs1 ZINC000736914900 599821192 /nfs/dbraw/zinc/82/11/92/599821192.db2.gz WOUUHMRTBFCSLZ-ZDUSSCGKSA-N -1 0 333.413 3.731 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CNC(=O)Nc2ccc(CCC(=O)[O-])cc2)o1 ZINC000736766321 599824732 /nfs/dbraw/zinc/82/47/32/599824732.db2.gz RGWIEZVKQKFFRO-MLGOLLRUSA-N -1 0 342.395 3.742 20 0 EHADRM CN(C(=O)c1ccc(OCC2CCCCC2)cc1)C(C)(C)C(=O)[O-] ZINC000362338390 599824931 /nfs/dbraw/zinc/82/49/31/599824931.db2.gz DDYQXDNAAJRGAV-UHFFFAOYSA-N -1 0 333.428 3.581 20 0 EHADRM CN(Cc1ccc(F)cc1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000325568730 599825615 /nfs/dbraw/zinc/82/56/15/599825615.db2.gz YKLPMUHSRCRDFP-UHFFFAOYSA-N -1 0 330.359 3.507 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000737229464 599828830 /nfs/dbraw/zinc/82/88/30/599828830.db2.gz MIMSJVAQIHYSTK-LBPRGKRZSA-N -1 0 330.837 3.683 20 0 EHADRM COc1ccc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)c(Cl)c1 ZINC000737923595 599829625 /nfs/dbraw/zinc/82/96/25/599829625.db2.gz YNTCVTOEGGWOGF-MRXNPFEDSA-N -1 0 347.798 3.685 20 0 EHADRM O=C([O-])c1c(NC(=O)CCCc2ccccc2)sc2c1CCC2 ZINC000320343485 599834340 /nfs/dbraw/zinc/83/43/40/599834340.db2.gz OSICVCYORBQKRW-UHFFFAOYSA-N -1 0 329.421 3.896 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)c1csc(C3CC3)n1)CCC2 ZINC000739489847 599835459 /nfs/dbraw/zinc/83/54/59/599835459.db2.gz KAKKLAWUUXEMOD-UHFFFAOYSA-N -1 0 334.422 3.521 20 0 EHADRM CCn1cc(CC(=O)N(C)c2ccccc2C(=O)[O-])c2ccccc21 ZINC000737302458 599836544 /nfs/dbraw/zinc/83/65/44/599836544.db2.gz USZRLQPSNIGGTO-UHFFFAOYSA-N -1 0 336.391 3.565 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)/C=C/c1cncc(F)c1)CCCC2 ZINC000738455238 599840849 /nfs/dbraw/zinc/84/08/49/599840849.db2.gz WOUYCLWRJCOWRN-AATRIKPKSA-N -1 0 346.383 3.511 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)CCSc1ccc(F)cc1 ZINC000319691199 599845895 /nfs/dbraw/zinc/84/58/95/599845895.db2.gz WNIOBVYYWRQTIX-UHFFFAOYSA-N -1 0 337.347 3.784 20 0 EHADRM CCC[C@@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)C1CCCCC1 ZINC000736972588 599850090 /nfs/dbraw/zinc/85/00/90/599850090.db2.gz HOHHUNKMXYKAHC-QGZVFWFLSA-N -1 0 333.428 3.629 20 0 EHADRM Cc1ccccc1CC(C)(C)NC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000738766451 599863054 /nfs/dbraw/zinc/86/30/54/599863054.db2.gz DLUCJTUUWWYBSH-UHFFFAOYSA-N -1 0 340.423 3.765 20 0 EHADRM Cc1ccccc1CC(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000676018693 599873308 /nfs/dbraw/zinc/87/33/08/599873308.db2.gz DJUGUITVAGCYJT-UHFFFAOYSA-N -1 0 339.416 3.767 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)Nc2ccccc2)cc1 ZINC000738201135 599880648 /nfs/dbraw/zinc/88/06/48/599880648.db2.gz MTKINMYXFLPKSQ-HNNXBMFYSA-N -1 0 330.409 3.746 20 0 EHADRM COc1cccc(C2(C(=O)Nc3cccc(C(=O)[O-])c3)CCCC2)c1 ZINC000237346215 599888168 /nfs/dbraw/zinc/88/81/68/599888168.db2.gz QGJMQVGAVNSKQB-UHFFFAOYSA-N -1 0 339.391 3.844 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cccc(OC3CCCC3)c2)o1 ZINC000740290464 599893512 /nfs/dbraw/zinc/89/35/12/599893512.db2.gz NDDATDYXPDBCHO-UHFFFAOYSA-N -1 0 330.336 3.656 20 0 EHADRM O=C([O-])N1CCC[C@@H](NC(=O)Nc2cccc(-c3cccs3)c2)C1 ZINC000739481411 599893664 /nfs/dbraw/zinc/89/36/64/599893664.db2.gz XFVBYQMAAIXGPG-CQSZACIVSA-N -1 0 345.424 3.679 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000237250857 599900487 /nfs/dbraw/zinc/90/04/87/599900487.db2.gz QHTKJUMXVLEKCF-LLVKDONJSA-N -1 0 331.343 3.665 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N(Cc2cccc(F)c2)C2CC2)c1 ZINC000740027394 599902431 /nfs/dbraw/zinc/90/24/31/599902431.db2.gz RSBLFFFCWPVDIZ-UHFFFAOYSA-N -1 0 328.343 3.720 20 0 EHADRM CCc1ccc([C@@H]2NC(=O)N(CC3CC3)C(CC)=C2C(=O)[O-])s1 ZINC000736931058 599905381 /nfs/dbraw/zinc/90/53/81/599905381.db2.gz CEKZVOJAEMWRJG-HNNXBMFYSA-N -1 0 334.441 3.536 20 0 EHADRM Cc1ccc(C(C)(C)C(=O)Nc2ccc(OCC(=O)[O-])cc2C)cc1 ZINC000237634221 599907198 /nfs/dbraw/zinc/90/71/98/599907198.db2.gz PYUUENLKWHWXQN-UHFFFAOYSA-N -1 0 341.407 3.683 20 0 EHADRM CC[C@@H](COC(=O)c1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000736904579 599913505 /nfs/dbraw/zinc/91/35/05/599913505.db2.gz MFHLBTXGRYYJDP-AWEZNQCLSA-N -1 0 328.364 3.501 20 0 EHADRM Cc1cc(NC(=O)c2cc(Br)cs2)ccc1C(=O)[O-] ZINC000120314765 599914825 /nfs/dbraw/zinc/91/48/25/599914825.db2.gz NESBSHSEGVBKES-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM O=C([O-])CC1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)CC1 ZINC000262161565 599915226 /nfs/dbraw/zinc/91/52/26/599915226.db2.gz PQQXRYMAYMGUSJ-RTBURBONSA-N -1 0 337.419 3.657 20 0 EHADRM Cc1cc(NC(=O)CCSc2ccccc2F)ccc1C(=O)[O-] ZINC000237700922 599916934 /nfs/dbraw/zinc/91/69/34/599916934.db2.gz DCNKGEVMRGFRLM-UHFFFAOYSA-N -1 0 333.384 3.953 20 0 EHADRM Cc1ccc(C)c(CC(=O)Nc2cccc(CSCC(=O)[O-])c2)c1 ZINC000237645947 599919970 /nfs/dbraw/zinc/91/99/70/599919970.db2.gz MDOBJWZIZCGLKS-UHFFFAOYSA-N -1 0 343.448 3.802 20 0 EHADRM C[C@H](CN(C(=O)c1ccc2c(c1)-c1ccccc1C2)C1CC1)C(=O)[O-] ZINC000736566079 599920829 /nfs/dbraw/zinc/92/08/29/599920829.db2.gz HQYSBCOYPSMUBU-CYBMUJFWSA-N -1 0 335.403 3.583 20 0 EHADRM C[C@H](NC(=S)N[C@H](CCC(=O)[O-])c1ccccc1)c1cccs1 ZINC000736660068 599926685 /nfs/dbraw/zinc/92/66/85/599926685.db2.gz DHAUKECDASEXRA-GXTWGEPZSA-N -1 0 348.493 3.879 20 0 EHADRM C[C@@H](NC(=S)N[C@@H](CCC(=O)[O-])c1ccccc1)c1cccs1 ZINC000736660073 599926745 /nfs/dbraw/zinc/92/67/45/599926745.db2.gz DHAUKECDASEXRA-OCCSQVGLSA-N -1 0 348.493 3.879 20 0 EHADRM CC[C@@](C)(NC(=O)c1ccc(-c2ccc(F)cc2)cc1F)C(=O)[O-] ZINC000736861636 599928714 /nfs/dbraw/zinc/92/87/14/599928714.db2.gz RCNAJZUBJHJBIJ-GOSISDBHSA-N -1 0 333.334 3.615 20 0 EHADRM Cn1cccc1[C@H]1CCCCCN1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000739043475 599929265 /nfs/dbraw/zinc/92/92/65/599929265.db2.gz PSDVWBRZOFUNRS-QGZVFWFLSA-N -1 0 341.411 3.873 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)CCc1cccc(F)c1F)c1ccccc1 ZINC000139355694 599930248 /nfs/dbraw/zinc/93/02/48/599930248.db2.gz WKVZDORCZNGMPU-MRXNPFEDSA-N -1 0 347.361 3.620 20 0 EHADRM Cc1ccc(C)c(CC(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000194696064 599930754 /nfs/dbraw/zinc/93/07/54/599930754.db2.gz NSGDNNJEBSGJIR-SFHVURJKSA-N -1 0 325.408 3.568 20 0 EHADRM CC(C)(C)c1ncc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)s1 ZINC000139387440 599931294 /nfs/dbraw/zinc/93/12/94/599931294.db2.gz DWWZIWUQAPVOMO-CYBMUJFWSA-N -1 0 346.452 3.777 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)c1cncc2ccccc21)c1ccccc1 ZINC000431441660 599931579 /nfs/dbraw/zinc/93/15/79/599931579.db2.gz BQOFKKYZNWVPNV-SFHVURJKSA-N -1 0 334.375 3.571 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)c1cccc2ncccc21)c1ccccc1 ZINC000193457720 599934038 /nfs/dbraw/zinc/93/40/38/599934038.db2.gz YFSCJTHDNCVGBM-QGZVFWFLSA-N -1 0 334.375 3.571 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccccc1 ZINC000327349492 599935079 /nfs/dbraw/zinc/93/50/79/599935079.db2.gz DPAOPNKAYIJUCC-IBGZPJMESA-N -1 0 337.419 3.901 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccccc1 ZINC000193451997 599937759 /nfs/dbraw/zinc/93/77/59/599937759.db2.gz BQPJDIOSIBEXGC-INIZCTEOSA-N -1 0 331.799 3.605 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)CCSc1ccccc1)c1ccccc1 ZINC000261851440 599937990 /nfs/dbraw/zinc/93/79/90/599937990.db2.gz JLRBRBIXAATJCO-QGZVFWFLSA-N -1 0 343.448 3.891 20 0 EHADRM O=C([O-])c1sc2ccccc2c1COC(=O)CC[C@@H]1CCCO1 ZINC000739237125 599944764 /nfs/dbraw/zinc/94/47/64/599944764.db2.gz ZFUGYIYUTGUQQD-NSHDSACASA-N -1 0 334.393 3.602 20 0 EHADRM Cc1oc(-c2ccsc2)nc1CN(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000516187913 599946509 /nfs/dbraw/zinc/94/65/09/599946509.db2.gz MIZDRBJHTMIUJW-UHFFFAOYSA-N -1 0 346.408 3.943 20 0 EHADRM O=C([O-])CSCc1cccc(Nc2ncnc3sccc32)c1 ZINC000739874587 599960307 /nfs/dbraw/zinc/96/03/07/599960307.db2.gz RLIAJAGJPQGIKS-UHFFFAOYSA-N -1 0 331.422 3.753 20 0 EHADRM Cc1cc(NCC(=O)N(Cc2ccccc2)C(C)C)ccc1C(=O)[O-] ZINC000738461810 599961164 /nfs/dbraw/zinc/96/11/64/599961164.db2.gz XNKGEDBLCFGMOP-UHFFFAOYSA-N -1 0 340.423 3.542 20 0 EHADRM Cc1cccc(Oc2ccc(NC(=O)CCSCC(=O)[O-])cc2)c1 ZINC000738737901 599964678 /nfs/dbraw/zinc/96/46/78/599964678.db2.gz QLWYLFDYKZVTDN-UHFFFAOYSA-N -1 0 345.420 3.934 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)OCCCc1c(F)cccc1Cl ZINC000736427346 599966392 /nfs/dbraw/zinc/96/63/92/599966392.db2.gz SBIYQDAQQHTYRU-CQSZACIVSA-N -1 0 345.798 3.637 20 0 EHADRM C[C@H](C(=O)N[C@H](CCC(=O)[O-])c1ccccc1)c1ccccc1F ZINC000139390591 599972005 /nfs/dbraw/zinc/97/20/05/599972005.db2.gz IOKNSMWPPGLGPB-SUMWQHHRSA-N -1 0 329.371 3.652 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1sccc1C(C)C ZINC000236815701 599985853 /nfs/dbraw/zinc/98/58/53/599985853.db2.gz AMNULXXSNRKPPB-UHFFFAOYSA-N -1 0 333.409 3.896 20 0 EHADRM CC(C)[C@H](CNC(=O)c1cccc(NC(=O)[O-])c1)Nc1ccccc1 ZINC000736359341 599988289 /nfs/dbraw/zinc/98/82/89/599988289.db2.gz ZHWNYTXEEYVPLO-KRWDZBQOSA-N -1 0 341.411 3.643 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cccc2ccccc21)c1cc(F)ccc1F ZINC000739370709 599991119 /nfs/dbraw/zinc/99/11/19/599991119.db2.gz GLUVOXKIVBCWQJ-QGZVFWFLSA-N -1 0 341.313 3.674 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000236914416 599993031 /nfs/dbraw/zinc/99/30/31/599993031.db2.gz KHBJUJTYOMFOKB-NSHDSACASA-N -1 0 331.334 3.522 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000238152986 599995561 /nfs/dbraw/zinc/99/55/61/599995561.db2.gz ZROJSZYKVFZODX-MNOVXSKESA-N -1 0 335.281 3.544 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c1 ZINC000737732145 600000317 /nfs/dbraw/zinc/00/03/17/600000317.db2.gz BUYJXAYRCMGADH-DYVFJYSZSA-N -1 0 342.395 3.732 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cc3ccc(F)cc3s2)c1 ZINC000325373663 600000634 /nfs/dbraw/zinc/00/06/34/600000634.db2.gz KZARQQZLTIXJAM-UHFFFAOYSA-N -1 0 345.351 4.000 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)c1 ZINC000737931160 600001449 /nfs/dbraw/zinc/00/14/49/600001449.db2.gz IQUKUENXIXVBNV-HUUCEWRRSA-N -1 0 345.782 3.789 20 0 EHADRM Cc1cccc(C[C@@H](CNC(=O)Nc2cccc(Cl)c2)C(=O)[O-])c1 ZINC000738707374 600009605 /nfs/dbraw/zinc/00/96/05/600009605.db2.gz FZWUJDIITCRXBH-AWEZNQCLSA-N -1 0 346.814 3.713 20 0 EHADRM Cc1ccc2c(c1C)OC[C@H]2NC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000738440238 600012576 /nfs/dbraw/zinc/01/25/76/600012576.db2.gz GFQPEZUPYOIGSQ-MRXNPFEDSA-N -1 0 340.379 3.565 20 0 EHADRM Cc1cc(NC(=O)NCCc2csc(C(C)C)n2)ccc1C(=O)[O-] ZINC000738439332 600013494 /nfs/dbraw/zinc/01/34/94/600013494.db2.gz DRRFCVIRVHWHGW-UHFFFAOYSA-N -1 0 347.440 3.637 20 0 EHADRM Cc1cc(NC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)ccc1C(=O)[O-] ZINC000738443814 600017082 /nfs/dbraw/zinc/01/70/82/600017082.db2.gz YWZOIGYMBCHXHP-GHMZBOCLSA-N -1 0 344.333 3.936 20 0 EHADRM COc1ccc(C(=O)[O-])c(NCC(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000737942837 600018562 /nfs/dbraw/zinc/01/85/62/600018562.db2.gz PJSICBUTXPUKEY-UHFFFAOYSA-N -1 0 342.395 3.567 20 0 EHADRM CCCCN(C(=O)Nc1cccc(CSCC(=O)[O-])c1)C1CC1 ZINC000736991592 600018725 /nfs/dbraw/zinc/01/87/25/600018725.db2.gz NDRDVMPKJVLJPO-UHFFFAOYSA-N -1 0 336.457 3.801 20 0 EHADRM C[C@H]1CCCN(C(=O)Nc2cccc(CSCC(=O)[O-])c2)CC1 ZINC000736789933 600019470 /nfs/dbraw/zinc/01/94/70/600019470.db2.gz RVRZSTMDHWUVTJ-ZDUSSCGKSA-N -1 0 336.457 3.658 20 0 EHADRM CC(C)CN(C(=O)Nc1cccc(CSCC(=O)[O-])c1)C1CC1 ZINC000736437492 600019648 /nfs/dbraw/zinc/01/96/48/600019648.db2.gz HTJSHIJHWDDZBM-UHFFFAOYSA-N -1 0 336.457 3.657 20 0 EHADRM CC[C@@H]1CCCN(C(=O)Nc2cccc(CSCC(=O)[O-])c2)C1 ZINC000736938240 600020870 /nfs/dbraw/zinc/02/08/70/600020870.db2.gz GEHSHYJLOYGRJY-CYBMUJFWSA-N -1 0 336.457 3.658 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)C2(c3cccc(Cl)c3)CCCCC2)C1 ZINC000238067639 600021483 /nfs/dbraw/zinc/02/14/83/600021483.db2.gz FVQNEHABSCRCDJ-AWEZNQCLSA-N -1 0 349.858 3.865 20 0 EHADRM O=C([O-])C1CCC(NC(=O)N[C@H](c2ccc(F)cc2)C2CCC2)CC1 ZINC000263226579 600023356 /nfs/dbraw/zinc/02/33/56/600023356.db2.gz LWQNQQDZKLLMKL-PREGVCBESA-N -1 0 348.418 3.610 20 0 EHADRM CC(C)COc1cccc(C(=O)Oc2cccc(CC(=O)[O-])c2)c1 ZINC000736448689 600023517 /nfs/dbraw/zinc/02/35/17/600023517.db2.gz NRNPGZOUUHVZAS-UHFFFAOYSA-N -1 0 328.364 3.568 20 0 EHADRM CCC1CCC(N(C)C(=O)Nc2cccc(OCC(=O)[O-])c2)CC1 ZINC000391922773 600031603 /nfs/dbraw/zinc/03/16/03/600031603.db2.gz UZWRHZARXRBNNA-UHFFFAOYSA-N -1 0 334.416 3.583 20 0 EHADRM C[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000237580046 600033648 /nfs/dbraw/zinc/03/36/48/600033648.db2.gz OXTDLGLHVNDYCV-GFCCVEGCSA-N -1 0 331.799 3.848 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Nc2ccc(N3CCCC3)cc2)cc1 ZINC000238075687 600033857 /nfs/dbraw/zinc/03/38/57/600033857.db2.gz PFBOWYBYXDOWRS-UHFFFAOYSA-N -1 0 338.407 3.556 20 0 EHADRM CC[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc(OC)cc1 ZINC000236895094 600034838 /nfs/dbraw/zinc/03/48/38/600034838.db2.gz ZNZFMMVENFJZRY-GOSISDBHSA-N -1 0 341.407 3.594 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Nc2ccccc2N2CCCC2)cc1 ZINC000238074309 600034954 /nfs/dbraw/zinc/03/49/54/600034954.db2.gz AUUORYDWRQOAPH-UHFFFAOYSA-N -1 0 338.407 3.556 20 0 EHADRM COc1ccccc1C/C(C)=C/C(=O)Nc1ccsc1C(=O)[O-] ZINC000738123784 600035755 /nfs/dbraw/zinc/03/57/55/600035755.db2.gz ILTFTAXPKRQPRO-ZHACJKMWSA-N -1 0 331.393 3.582 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N(Cc2cccc(F)c2)C2CC2)cc1 ZINC000191566708 600037480 /nfs/dbraw/zinc/03/74/80/600037480.db2.gz IHWCDPYATKNKFP-UHFFFAOYSA-N -1 0 341.382 3.648 20 0 EHADRM COc1c(Cl)cccc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237316247 600040700 /nfs/dbraw/zinc/04/07/00/600040700.db2.gz OEUKTAKZBTZKMX-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM CC(C)(NC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000236656815 600043514 /nfs/dbraw/zinc/04/35/14/600043514.db2.gz GHNYXMSYFGVAIE-UHFFFAOYSA-N -1 0 329.371 3.508 20 0 EHADRM CSCCc1ccc(NC(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000600881241 600043777 /nfs/dbraw/zinc/04/37/77/600043777.db2.gz OMUQNSWOWXWQBZ-UHFFFAOYSA-N -1 0 343.448 3.862 20 0 EHADRM Cc1ccc(SCC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c(C)c1 ZINC000621557361 600044943 /nfs/dbraw/zinc/04/49/43/600044943.db2.gz FFAPEZRGZAFUQY-UHFFFAOYSA-N -1 0 341.432 3.636 20 0 EHADRM C[C@H](CC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000621556826 600047521 /nfs/dbraw/zinc/04/75/21/600047521.db2.gz SLONSRDHVFUQGU-GFCCVEGCSA-N -1 0 327.355 3.560 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000120263710 600059215 /nfs/dbraw/zinc/05/92/15/600059215.db2.gz HMBLPTLJLNKAAQ-JLHYYAGUSA-N -1 0 325.364 3.744 20 0 EHADRM CC[C@@H](C(=O)Nc1cc(C(=O)[O-])ccc1Cl)c1c(C)noc1C ZINC000736848119 600061259 /nfs/dbraw/zinc/06/12/59/600061259.db2.gz MMDGUBJEECPEML-LLVKDONJSA-N -1 0 336.775 3.775 20 0 EHADRM CC[C@@H](CC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000236911465 600061694 /nfs/dbraw/zinc/06/16/94/600061694.db2.gz WITRCNUMMKRANA-INIZCTEOSA-N -1 0 325.408 3.927 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000262601056 600062003 /nfs/dbraw/zinc/06/20/03/600062003.db2.gz JUNSFMCOWLPGMP-LJQANCHMSA-N -1 0 337.419 3.990 20 0 EHADRM CC/C(=C/C(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000736834842 600062344 /nfs/dbraw/zinc/06/23/44/600062344.db2.gz KBZKPVSYAXWIOK-OWBHPGMISA-N -1 0 325.364 3.582 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ccccc1Oc1ccccc1Cl ZINC000485664764 600063445 /nfs/dbraw/zinc/06/34/45/600063445.db2.gz CWENJCLSLAULSB-GHMZBOCLSA-N -1 0 331.755 3.792 20 0 EHADRM C/C(=C/C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)c1ccccc1Cl ZINC000736117418 600072265 /nfs/dbraw/zinc/07/22/65/600072265.db2.gz JFPJXEIWYMZLOZ-HIJJTNJNSA-N -1 0 347.842 3.988 20 0 EHADRM CCCc1c(C(=O)N[C@@H]2CCc3ccc(C)cc32)[nH]c(C)c1C(=O)[O-] ZINC000737040633 600075504 /nfs/dbraw/zinc/07/55/04/600075504.db2.gz LPPXPJVKOJLUDN-MRXNPFEDSA-N -1 0 340.423 3.700 20 0 EHADRM CCc1[nH]c(C(=O)Nc2cccc3ccc(C)nc32)c(C)c1C(=O)[O-] ZINC000737245181 600085711 /nfs/dbraw/zinc/08/57/11/600085711.db2.gz IBFAWHMLGRNCDQ-UHFFFAOYSA-N -1 0 337.379 3.693 20 0 EHADRM Cc1cc(NC(=O)NCCCc2cccc(F)c2)ccc1C(=O)[O-] ZINC000738439283 600096114 /nfs/dbraw/zinc/09/61/14/600096114.db2.gz BVOGTMPTACRGIR-UHFFFAOYSA-N -1 0 330.359 3.587 20 0 EHADRM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000570851698 600102194 /nfs/dbraw/zinc/10/21/94/600102194.db2.gz MTVXYYWRMXMQLQ-ZBEGNZNMSA-N -1 0 335.787 3.766 20 0 EHADRM O=C([O-])c1ccc2c(c1)nc(-c1ccc(-c3ccccc3)cc1)[nH]c2=O ZINC000740191189 600105329 /nfs/dbraw/zinc/10/53/29/600105329.db2.gz TYMIVLNYWHBLSN-UHFFFAOYSA-N -1 0 342.354 3.955 20 0 EHADRM O=C([O-])c1ccc(CCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000238103472 600106181 /nfs/dbraw/zinc/10/61/81/600106181.db2.gz KYYLSHLUAGTVBI-UHFFFAOYSA-N -1 0 328.755 3.873 20 0 EHADRM Cc1ccc(S[C@H](C(=O)OCC(=O)[O-])c2ccccc2)c(C)c1 ZINC000738660723 600108030 /nfs/dbraw/zinc/10/80/30/600108030.db2.gz UNBFETIOVLRMOW-KRWDZBQOSA-N -1 0 330.405 3.765 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)CCSc1ccccc1 ZINC000739252860 600111195 /nfs/dbraw/zinc/11/11/95/600111195.db2.gz VSIFVJWCQZACNW-UHFFFAOYSA-N -1 0 334.368 3.750 20 0 EHADRM Cc1cc(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)c2ccccc2n1 ZINC000326601324 600113508 /nfs/dbraw/zinc/11/35/08/600113508.db2.gz FYYBQUUNHDLNSB-UHFFFAOYSA-N -1 0 331.331 3.958 20 0 EHADRM CN(C)c1ccc([C@@H]2C[C@H]2c2nc(-c3ccc(C(=O)[O-])cc3)no2)cc1 ZINC000737377318 600114448 /nfs/dbraw/zinc/11/44/48/600114448.db2.gz LGPJBETZDJZYFX-DLBZAZTESA-N -1 0 349.390 3.772 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000736627540 600116573 /nfs/dbraw/zinc/11/65/73/600116573.db2.gz RHRQWSUNTAQRIZ-NSHDSACASA-N -1 0 334.318 3.585 20 0 EHADRM CC(C)CC(CC(C)C)NC(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000736403198 600120481 /nfs/dbraw/zinc/12/04/81/600120481.db2.gz BNVZIJRMLUFNAI-UHFFFAOYSA-N -1 0 336.432 3.732 20 0 EHADRM CCOc1ccc(OCCNc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000737204196 600127332 /nfs/dbraw/zinc/12/73/32/600127332.db2.gz SMVGOTOIVRVYMX-UHFFFAOYSA-N -1 0 334.347 3.805 20 0 EHADRM CC[C@@](NC(=O)C[C@@H](C)c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000485383588 600132691 /nfs/dbraw/zinc/13/26/91/600132691.db2.gz NMFHWGJGJDEXPS-QRWLVFNGSA-N -1 0 325.408 3.687 20 0 EHADRM Cc1ccc(OC(=O)CCCOCc2ccccc2)c(C(=O)[O-])c1 ZINC000738640787 600132843 /nfs/dbraw/zinc/13/28/43/600132843.db2.gz MPJWJGPJEIPCGN-UHFFFAOYSA-N -1 0 328.364 3.596 20 0 EHADRM Cc1ccc(OC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(C(=O)[O-])c1 ZINC000738642177 600132846 /nfs/dbraw/zinc/13/28/46/600132846.db2.gz ZFOLPIGGFJVFMA-GHMZBOCLSA-N -1 0 330.302 3.967 20 0 EHADRM CC[C@@](NC(=O)C[C@@H](C)c1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC000485370077 600133062 /nfs/dbraw/zinc/13/30/62/600133062.db2.gz ADRQNIKXQOYHEU-VLIAUNLRSA-N -1 0 343.398 3.826 20 0 EHADRM CC[C@](NC(=O)/C=C/Sc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000736907828 600133530 /nfs/dbraw/zinc/13/35/30/600133530.db2.gz STVRSCGOVUANIG-JKIKYLSZSA-N -1 0 341.432 3.799 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000238034231 600141409 /nfs/dbraw/zinc/14/14/09/600141409.db2.gz WUEYQVUMWJUTGC-BZPMIXESSA-N -1 0 342.222 3.563 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000262693707 600141591 /nfs/dbraw/zinc/14/15/91/600141591.db2.gz WUEYQVUMWJUTGC-OBJOEFQTSA-N -1 0 342.222 3.563 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)Nc1sccc1C(=O)[O-] ZINC000738126455 600145249 /nfs/dbraw/zinc/14/52/49/600145249.db2.gz UPSVCHMFVHFXON-NSHDSACASA-N -1 0 333.409 3.662 20 0 EHADRM CSc1ccsc1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000738211679 600146573 /nfs/dbraw/zinc/14/65/73/600146573.db2.gz YOKAFQOSMLIWEU-UHFFFAOYSA-N -1 0 337.422 3.576 20 0 EHADRM COc1ccc(NC(=S)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000738041192 600149349 /nfs/dbraw/zinc/14/93/49/600149349.db2.gz YGFVHJFRNAHBLT-UHFFFAOYSA-N -1 0 330.409 3.521 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)[C@H]1CCc3ccccc31)CCC2 ZINC000740068498 600150841 /nfs/dbraw/zinc/15/08/41/600150841.db2.gz IIYWUKXGQTXPML-LBPRGKRZSA-N -1 0 327.405 3.604 20 0 EHADRM CCCC[C@@H](Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)C(=O)[O-] ZINC000736983311 600154952 /nfs/dbraw/zinc/15/49/52/600154952.db2.gz ZAECDEVIKVBXSL-UONOGXRCSA-N -1 0 341.835 3.953 20 0 EHADRM O=C([O-])CCC(=O)N(Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC000580836919 600161071 /nfs/dbraw/zinc/16/10/71/600161071.db2.gz MKIGHHKAGMQNMA-UHFFFAOYSA-N -1 0 343.345 3.841 20 0 EHADRM O=C([O-])c1cccc(COC(=O)c2cc(F)c(Cl)nc2Cl)c1 ZINC000740221547 600164924 /nfs/dbraw/zinc/16/49/24/600164924.db2.gz QLCXPFVGSNMCJB-UHFFFAOYSA-N -1 0 344.125 3.583 20 0 EHADRM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc(C(=O)[O-])s1 ZINC000237480003 600169958 /nfs/dbraw/zinc/16/99/58/600169958.db2.gz MGFDANKZEGGRES-GFCCVEGCSA-N -1 0 329.421 3.887 20 0 EHADRM O=C([O-])CCCNC(=O)NCc1ccccc1Sc1ccccc1 ZINC000738576568 600173247 /nfs/dbraw/zinc/17/32/47/600173247.db2.gz DVUFKRQQZLKASI-UHFFFAOYSA-N -1 0 344.436 3.502 20 0 EHADRM CSc1cccc(NC(=O)NC[C@H](C(=O)[O-])c2ccc(C)cc2)c1 ZINC000738213270 600176545 /nfs/dbraw/zinc/17/65/45/600176545.db2.gz AKONQYAXHNEQIU-INIZCTEOSA-N -1 0 344.436 3.707 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)C[C@H]1CCc2ccccc21 ZINC000739222404 600178408 /nfs/dbraw/zinc/17/84/08/600178408.db2.gz LYEMPVJZKDPHNN-CYBMUJFWSA-N -1 0 328.339 3.687 20 0 EHADRM C[C@@H](SCc1noc(CCC(=O)[O-])n1)c1ccccc1Cl ZINC000736710083 600187255 /nfs/dbraw/zinc/18/72/55/600187255.db2.gz YZGAFRPHJVPKRJ-SECBINFHSA-N -1 0 326.805 3.735 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000236769806 600188698 /nfs/dbraw/zinc/18/86/98/600188698.db2.gz XMXIVPQYIPFAPR-UHFFFAOYSA-N -1 0 342.351 3.500 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC000736928485 600189707 /nfs/dbraw/zinc/18/97/07/600189707.db2.gz JWEISKJRGFWMRE-INIZCTEOSA-N -1 0 330.405 3.790 20 0 EHADRM CCCCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000325024909 600199763 /nfs/dbraw/zinc/19/97/63/600199763.db2.gz JWWWEUBWNYLVDW-UHFFFAOYSA-N -1 0 331.343 3.955 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000324810277 600199841 /nfs/dbraw/zinc/19/98/41/600199841.db2.gz SCKXIPHCJDKUNM-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(-c3cccc(F)c3)no2)c(F)c1 ZINC000551679750 600201635 /nfs/dbraw/zinc/20/16/35/600201635.db2.gz KOPGESGSIDCMGN-UHFFFAOYSA-N -1 0 344.273 3.570 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000736617903 600202078 /nfs/dbraw/zinc/20/20/78/600202078.db2.gz IRYJCXBDCFIKRA-LLVKDONJSA-N -1 0 333.384 3.891 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000237398627 600206281 /nfs/dbraw/zinc/20/62/81/600206281.db2.gz LJQYIYULHICJTA-CRAIPNDOSA-N -1 0 325.408 3.821 20 0 EHADRM COc1ccc(CNC(=O)C[C@H](C)c2ccccc2C)cc1C(=O)[O-] ZINC000237291429 600206741 /nfs/dbraw/zinc/20/67/41/600206741.db2.gz YGWIACBVQBPFBY-AWEZNQCLSA-N -1 0 341.407 3.512 20 0 EHADRM CCN(C(=O)CNc1cc(Cl)cc(C(=O)[O-])c1)c1ccccc1 ZINC000737060922 600207017 /nfs/dbraw/zinc/20/70/17/600207017.db2.gz YGDAOQIMLGGESY-UHFFFAOYSA-N -1 0 332.787 3.503 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C[C@H](C)c1cccc(F)c1 ZINC000237599315 600207484 /nfs/dbraw/zinc/20/74/84/600207484.db2.gz ABPSVPBVCGOBSS-LBPRGKRZSA-N -1 0 345.370 3.730 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1)c1cccc(F)c1 ZINC000262629934 600207622 /nfs/dbraw/zinc/20/76/22/600207622.db2.gz OCVUCSDSVVJHSL-SJCJKPOMSA-N -1 0 347.361 3.791 20 0 EHADRM CCSc1ccccc1C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000737228736 600215852 /nfs/dbraw/zinc/21/58/52/600215852.db2.gz FRBRVHWGRPYVOP-CQSZACIVSA-N -1 0 327.405 3.627 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000177479632 600218829 /nfs/dbraw/zinc/21/88/29/600218829.db2.gz AKGIQMMUTBEUNP-ZDUSSCGKSA-N -1 0 335.281 3.534 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc(-c3ccccc3)[nH]2)c2ccccc21 ZINC000192957530 600218936 /nfs/dbraw/zinc/21/89/36/600218936.db2.gz FGAPAPUDYAZIBL-OAHLLOKOSA-N -1 0 332.359 3.510 20 0 EHADRM COc1cc2ccccc2cc1C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000737908478 600220592 /nfs/dbraw/zinc/22/05/92/600220592.db2.gz VKQISABJPSCNRB-QGZVFWFLSA-N -1 0 347.370 3.677 20 0 EHADRM CC(C)c1ccc(NC(=O)Nc2cccc(OCC(=O)[O-])c2)cc1 ZINC000324671838 600224911 /nfs/dbraw/zinc/22/49/11/600224911.db2.gz KXNLIAADXIVOFD-UHFFFAOYSA-N -1 0 328.368 3.917 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)/C=C\Sc2ccccc2)c2ccccc21 ZINC000739603518 600226034 /nfs/dbraw/zinc/22/60/34/600226034.db2.gz DINJCQXNPOKWDA-WOLCWHLNSA-N -1 0 325.389 3.507 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CC2)c2ccccc21 ZINC000391680164 600227397 /nfs/dbraw/zinc/22/73/97/600227397.db2.gz VTFHBGVFCHWHST-HNNXBMFYSA-N -1 0 341.794 3.587 20 0 EHADRM COc1cc(C)c(NC(=O)Nc2cccc(C(=O)[O-])c2C)cc1OC ZINC000737867332 600228998 /nfs/dbraw/zinc/22/89/98/600228998.db2.gz IXONKGQGZUGIFI-UHFFFAOYSA-N -1 0 344.367 3.663 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)cc1 ZINC000740132159 600239310 /nfs/dbraw/zinc/23/93/10/600239310.db2.gz DCEOBEHOROVCLM-STQMWFEESA-N -1 0 332.302 3.510 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cccc(Oc3nccs3)c2)o1 ZINC000740291928 600248032 /nfs/dbraw/zinc/24/80/32/600248032.db2.gz ZCDCLIPOHJLKQP-UHFFFAOYSA-N -1 0 345.332 3.584 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)ccc2Cl)C1 ZINC000340196742 600248681 /nfs/dbraw/zinc/24/86/81/600248681.db2.gz HVXRMWSNXCUANU-CQSZACIVSA-N -1 0 329.783 3.554 20 0 EHADRM Cc1cc(NC(=O)c2cccc(Oc3cnccn3)c2)ccc1C(=O)[O-] ZINC000341210464 600251617 /nfs/dbraw/zinc/25/16/17/600251617.db2.gz GMHIHXRNBIGZDJ-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM Cc1cc(F)cc2[nH]c(C(=O)N[C@@H](CC(=O)[O-])c3cccs3)cc21 ZINC000237663924 600254448 /nfs/dbraw/zinc/25/44/48/600254448.db2.gz SYVDBXFEPCOGOE-ZDUSSCGKSA-N -1 0 346.383 3.623 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N3C[C@H](C(=O)[O-])c4ccccc43)cc2c1C ZINC000192956150 600257062 /nfs/dbraw/zinc/25/70/62/600257062.db2.gz JWQAPJQSUVVLOC-HNNXBMFYSA-N -1 0 334.375 3.613 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N3CCC4(C[C@H]4C(=O)[O-])CC3)[nH]c2c1 ZINC000736521126 600269112 /nfs/dbraw/zinc/26/91/12/600269112.db2.gz KFYSXSSWMTWAMY-HNNXBMFYSA-N -1 0 340.423 3.618 20 0 EHADRM Cc1[nH]c(C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)c(C)c1C(=O)[O-] ZINC000738160485 600275676 /nfs/dbraw/zinc/27/56/76/600275676.db2.gz OWLPDOMYQLDUED-CYBMUJFWSA-N -1 0 346.814 3.613 20 0 EHADRM C[C@@H](Sc1nc2ccc(C(=O)[O-])cc2o1)C(=O)Nc1ccccc1 ZINC000736716353 600276202 /nfs/dbraw/zinc/27/62/02/600276202.db2.gz KXQSBLWAMPOCSP-SNVBAGLBSA-N -1 0 342.376 3.645 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@@H](Cc2ccccc2)C2CC2)ccc1F ZINC000739470044 600276975 /nfs/dbraw/zinc/27/69/75/600276975.db2.gz AGLHZHPNUGVMFK-KRWDZBQOSA-N -1 0 342.370 3.667 20 0 EHADRM CCc1cccc(NC(=S)Nc2ccc(CNC(=O)[O-])cc2)c1 ZINC000737269951 600279549 /nfs/dbraw/zinc/27/95/49/600279549.db2.gz LMFCCBHLNGQFNM-UHFFFAOYSA-N -1 0 329.425 3.826 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2cc3cc(F)ccc3s2)c2ccccc21 ZINC000177482144 600279994 /nfs/dbraw/zinc/27/99/94/600279994.db2.gz FJAOLVFTEIOOCY-CYBMUJFWSA-N -1 0 341.363 3.869 20 0 EHADRM Cc1cccc2c1CCN(C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)C2 ZINC000738747017 600281315 /nfs/dbraw/zinc/28/13/15/600281315.db2.gz CWEPODCNTVBWHY-UHFFFAOYSA-N -1 0 344.798 3.937 20 0 EHADRM O=C([O-])CCCc1nc(COc2ccc(-c3ccccc3)cc2)no1 ZINC000739701443 600281489 /nfs/dbraw/zinc/28/14/89/600281489.db2.gz DWJQOBBOZMUXDN-UHFFFAOYSA-N -1 0 338.363 3.723 20 0 EHADRM CN(Cc1ccc(NC(=O)CSc2ccc(F)cc2)cc1)C(=O)[O-] ZINC000737478869 600282771 /nfs/dbraw/zinc/28/27/71/600282771.db2.gz NHYANUQBQOARTQ-UHFFFAOYSA-N -1 0 348.399 3.666 20 0 EHADRM CN(Cc1ccc(NC(=O)Cc2cccc(Cl)c2)cc1)C(=O)[O-] ZINC000737478276 600283609 /nfs/dbraw/zinc/28/36/09/600283609.db2.gz HKYWBCJSPKEYGQ-UHFFFAOYSA-N -1 0 332.787 3.631 20 0 EHADRM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)c1 ZINC000738734154 600283828 /nfs/dbraw/zinc/28/38/28/600283828.db2.gz JIZMOSBHULKETI-AWEZNQCLSA-N -1 0 342.395 3.511 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N[C@@H]2CCCc3occc32)c1 ZINC000739463200 600287111 /nfs/dbraw/zinc/28/71/11/600287111.db2.gz NSSZVCKJUJDNKQ-CYBMUJFWSA-N -1 0 334.759 3.830 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N2CCC[C@@H]2c2cccnc2)c1 ZINC000740073989 600290149 /nfs/dbraw/zinc/29/01/49/600290149.db2.gz CCGCQBADBMVEQA-OAHLLOKOSA-N -1 0 345.786 3.802 20 0 EHADRM C[C@H](Nc1ccc(CNC(=O)[O-])cc1)C(=O)Nc1ccccc1Cl ZINC000736670668 600327879 /nfs/dbraw/zinc/32/78/79/600327879.db2.gz GKKXKYAASALLKX-NSHDSACASA-N -1 0 347.802 3.547 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1c(O)cccc1Cl)c1cccc(Cl)c1 ZINC000740293018 600327988 /nfs/dbraw/zinc/32/79/88/600327988.db2.gz SUSJTEMMRJFDAL-ZDUSSCGKSA-N -1 0 341.146 3.682 20 0 EHADRM Cc1oc(CN2[C@H](C)CO[C@H](c3ccccc3)[C@@H]2C)cc1C(=O)[O-] ZINC000738981838 600332114 /nfs/dbraw/zinc/33/21/14/600332114.db2.gz ZSOJAWZVODFEOL-VBHSOAQHSA-N -1 0 329.396 3.637 20 0 EHADRM CN(Cc1ccc(NC(=O)Nc2cc(F)ccc2F)cc1)C(=O)[O-] ZINC000737480244 600334336 /nfs/dbraw/zinc/33/43/36/600334336.db2.gz KBBXKMQMDNMSNK-UHFFFAOYSA-N -1 0 335.310 3.719 20 0 EHADRM Cc1noc(C)c1[C@H](C)NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000390176204 600335150 /nfs/dbraw/zinc/33/51/50/600335150.db2.gz PJZBJYYQDYUUJX-ZETCQYMHSA-N -1 0 337.763 3.526 20 0 EHADRM CC[C@H]1CCCN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)CC1 ZINC000736940008 600337568 /nfs/dbraw/zinc/33/75/68/600337568.db2.gz PVSPPSJAAVTAGR-AWEZNQCLSA-N -1 0 334.416 3.584 20 0 EHADRM C[C@H]1CCCC[C@@H]1CNC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736781539 600342738 /nfs/dbraw/zinc/34/27/38/600342738.db2.gz PUVLUWDSLUNNPW-DZGCQCFKSA-N -1 0 333.432 3.744 20 0 EHADRM Cc1ccc(CN(C(=O)Nc2ccc(CNC(=O)[O-])cc2)C2CC2)o1 ZINC000738592778 600349388 /nfs/dbraw/zinc/34/93/88/600349388.db2.gz PFKSLPSGHWQARF-UHFFFAOYSA-N -1 0 343.383 3.552 20 0 EHADRM CC[C@H](CNC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccccc1 ZINC000736905964 600351401 /nfs/dbraw/zinc/35/14/01/600351401.db2.gz WAMRLTHKYWSRAN-OAHLLOKOSA-N -1 0 341.411 3.770 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)N2CCC[C@H]2C2CCCC2)cc1 ZINC000739988254 600351709 /nfs/dbraw/zinc/35/17/09/600351709.db2.gz MCMAWJKAGDHSTG-INIZCTEOSA-N -1 0 331.416 3.641 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000736648785 600351914 /nfs/dbraw/zinc/35/19/14/600351914.db2.gz KSYLTFCFETZNQX-SNVBAGLBSA-N -1 0 349.337 3.615 20 0 EHADRM C[C@H](SCc1noc(CCCC(=O)[O-])n1)c1ccc(F)cc1F ZINC000736714013 600351937 /nfs/dbraw/zinc/35/19/37/600351937.db2.gz WTJNOBMFJUKWDN-VIFPVBQESA-N -1 0 342.367 3.750 20 0 EHADRM C[C@H]1CCCC[C@@H]1CCNC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736778552 600355104 /nfs/dbraw/zinc/35/51/04/600355104.db2.gz GPPAOXNIOTWSQP-DZGCQCFKSA-N -1 0 333.432 3.792 20 0 EHADRM Cc1ccc2c(c1)[C@H](NC(=O)Nc1ccc(CNC(=O)[O-])cc1)CC2 ZINC000738669199 600357054 /nfs/dbraw/zinc/35/70/54/600357054.db2.gz CTCJSRCJKCYEOK-QGZVFWFLSA-N -1 0 339.395 3.572 20 0 EHADRM O=C([O-])Nc1ccc(Nc2ccc(C(=O)Nc3ccccc3)nn2)cc1 ZINC000738667206 600362280 /nfs/dbraw/zinc/36/22/80/600362280.db2.gz LTOOQEHHVLQTQA-UHFFFAOYSA-N -1 0 349.350 3.562 20 0 EHADRM O=C([O-])Nc1ccc(CCNc2ccc(C(F)(F)F)cn2)cc1 ZINC000740024648 600364899 /nfs/dbraw/zinc/36/48/99/600364899.db2.gz IOSHTGQRWKOXDE-UHFFFAOYSA-N -1 0 325.290 3.845 20 0 EHADRM Cc1oc(-c2ccccc2F)nc1C(=O)Oc1ccc(C(=O)[O-])cc1 ZINC000738389108 600367491 /nfs/dbraw/zinc/36/74/91/600367491.db2.gz VGGBSZAGWRSHFE-UHFFFAOYSA-N -1 0 341.294 3.707 20 0 EHADRM Cc1cc(NC(=O)c2cc(Cl)c(Cl)n2C)sc1C(=O)[O-] ZINC000037404762 600369582 /nfs/dbraw/zinc/36/95/82/600369582.db2.gz BCCJZCFZAMRVJU-UHFFFAOYSA-N -1 0 333.196 3.652 20 0 EHADRM CCOc1ccc(CCC(=O)Nc2cc(C)c(C(=O)[O-])s2)cc1 ZINC000737205214 600372631 /nfs/dbraw/zinc/37/26/31/600372631.db2.gz GWTDOHFMMNYPRP-UHFFFAOYSA-N -1 0 333.409 3.725 20 0 EHADRM CC[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccccc1)c1ccc(C)cc1 ZINC000236926603 600376132 /nfs/dbraw/zinc/37/61/32/600376132.db2.gz CTIHCSVPGXUKLP-HNAYVOBHSA-N -1 0 325.408 3.821 20 0 EHADRM COc1ccc(NC(=O)CC/C=C\c2ccccc2)c(C(=O)[O-])c1 ZINC000738027653 600377132 /nfs/dbraw/zinc/37/71/32/600377132.db2.gz ATMPGVHGFOMGKN-UITAMQMPSA-N -1 0 325.364 3.826 20 0 EHADRM CCNc1nnc(S[C@@H](C(=O)[O-])c2cccc(Cl)c2)s1 ZINC000737128885 600377867 /nfs/dbraw/zinc/37/78/67/600377867.db2.gz CZRFWMBNUGPGCR-SECBINFHSA-N -1 0 329.834 3.541 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1ccccc1OC(F)F)c1ccccc1 ZINC000736852034 600379290 /nfs/dbraw/zinc/37/92/90/600379290.db2.gz VLYJBTKTDBAEHO-AWEZNQCLSA-N -1 0 349.333 3.798 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736628140 600379468 /nfs/dbraw/zinc/37/94/68/600379468.db2.gz WBGLRWREDSCSNC-ZDUSSCGKSA-N -1 0 344.386 3.753 20 0 EHADRM CCc1ccc(OCC(=O)N(c2ccccc2)[C@H](CC)C(=O)[O-])cc1 ZINC000737267767 600379617 /nfs/dbraw/zinc/37/96/17/600379617.db2.gz IULLXUFWWYGRMR-GOSISDBHSA-N -1 0 341.407 3.524 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc2cc(F)ccc2o1)c1ccccc1 ZINC000238002053 600380870 /nfs/dbraw/zinc/38/08/70/600380870.db2.gz BBVGCPSISKONJE-AWEZNQCLSA-N -1 0 327.311 3.518 20 0 EHADRM Cc1c(NC(=O)/C=C\c2ccnc3ccccc23)cccc1C(=O)[O-] ZINC000738300236 600381991 /nfs/dbraw/zinc/38/19/91/600381991.db2.gz SCPZTBJIWADCGO-KTKRTIGZSA-N -1 0 332.359 3.893 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)/C=C\c1ccnc2ccccc12 ZINC000739215760 600383294 /nfs/dbraw/zinc/38/32/94/600383294.db2.gz LJPQJXLSECTMCC-HJWRWDBZSA-N -1 0 336.322 3.724 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)/C=C/Sc2ccccc2)cc1 ZINC000740017673 600387286 /nfs/dbraw/zinc/38/72/86/600387286.db2.gz SLCKVGIIJKNUIW-ACCUITESSA-N -1 0 342.420 3.741 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CCCc3sccc3C2)ccc1F ZINC000740090412 600388407 /nfs/dbraw/zinc/38/84/07/600388407.db2.gz MXJJCAVWBGNKQQ-UHFFFAOYSA-N -1 0 334.372 3.566 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)c2ccc(F)cc2Cl)cc1 ZINC000740021087 600388525 /nfs/dbraw/zinc/38/85/25/600388525.db2.gz USFHZWKWMHREJA-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM CCc1[nH]c(C(=O)N(C)[C@H](C)Cc2ccc(C)cc2)c(C)c1C(=O)[O-] ZINC000737237759 600389397 /nfs/dbraw/zinc/38/93/97/600389397.db2.gz OSBGJAISKQBGMW-CYBMUJFWSA-N -1 0 342.439 3.595 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)Cc2cccs2)cc1 ZINC000236611013 600392044 /nfs/dbraw/zinc/39/20/44/600392044.db2.gz UHODYDCKUSQZQS-INIZCTEOSA-N -1 0 345.464 3.920 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000739466777 600399921 /nfs/dbraw/zinc/39/99/21/600399921.db2.gz JXURCSFYBYQVSX-ZJUUUORDSA-N -1 0 348.296 3.767 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)CCOc1cccc(Cl)c1Cl ZINC000236824655 600415926 /nfs/dbraw/zinc/41/59/26/600415926.db2.gz ZVXDISRLQNVVNS-UHFFFAOYSA-N -1 0 348.226 3.522 20 0 EHADRM Cc1c[nH]cc1C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000262496440 600416261 /nfs/dbraw/zinc/41/62/61/600416261.db2.gz HFQMPMJCONWKKQ-MRXNPFEDSA-N -1 0 328.412 3.566 20 0 EHADRM CCCc1c(C(=O)N2CCC3(CCCC3)CC2)[nH]c(C)c1C(=O)[O-] ZINC000737041883 600417091 /nfs/dbraw/zinc/41/70/91/600417091.db2.gz REGZWJHQAHKIGP-UHFFFAOYSA-N -1 0 332.444 3.770 20 0 EHADRM C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC(C)(C)CCC(=O)[O-] ZINC000237459575 600417278 /nfs/dbraw/zinc/41/72/78/600417278.db2.gz MSCCLTYSPNJTDF-SECBINFHSA-N -1 0 348.226 3.520 20 0 EHADRM Cc1ccc(OC(=O)c2ccc3[nH]c(C(F)F)nc3c2)c(C(=O)[O-])c1 ZINC000738640365 600422116 /nfs/dbraw/zinc/42/21/16/600422116.db2.gz YOHDOPLUZMEOTR-UHFFFAOYSA-N -1 0 346.289 3.726 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N2CCC[C@@]3(CC=CCC3)C2)cc1 ZINC000238061031 600423862 /nfs/dbraw/zinc/42/38/62/600423862.db2.gz IKUFZGRSXHZYFD-FQEVSTJZSA-N -1 0 327.424 3.666 20 0 EHADRM CCO[C@@H]1CCCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000652395035 600434531 /nfs/dbraw/zinc/43/45/31/600434531.db2.gz XJEZYWFIFDPLRE-MRXNPFEDSA-N -1 0 346.452 3.509 20 0 EHADRM COc1ccc(N[C@@H](C(=O)[O-])c2ccccc2)cc1Br ZINC000234974258 600436296 /nfs/dbraw/zinc/43/62/96/600436296.db2.gz YSLIZJLHFQXELX-CQSZACIVSA-N -1 0 336.185 3.696 20 0 EHADRM Cc1ccc2[nH]c(C(=O)O[C@H](C(=O)[O-])c3ccc(F)cc3)cc2c1 ZINC000738667137 600447659 /nfs/dbraw/zinc/44/76/59/600447659.db2.gz CYEMJHKGVKXEEP-INIZCTEOSA-N -1 0 327.311 3.598 20 0 EHADRM Cc1cccc(OCCC(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)c1C ZINC000738734731 600450468 /nfs/dbraw/zinc/45/04/68/600450468.db2.gz OVMRQPWFQMXNRI-SFHVURJKSA-N -1 0 346.354 3.581 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)C2c3ccccc3Oc3ccccc32)c1 ZINC000740244076 600452685 /nfs/dbraw/zinc/45/26/85/600452685.db2.gz CNLRRWPTHBVLAV-UHFFFAOYSA-N -1 0 346.342 3.656 20 0 EHADRM CCOc1ccc(CCC(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000737205588 600452934 /nfs/dbraw/zinc/45/29/34/600452934.db2.gz MPLLMWWDDWDZTA-SFHVURJKSA-N -1 0 346.354 3.526 20 0 EHADRM Cc1cc(N[C@H](C(=O)[O-])c2ccccc2)ccc1OC1CCOCC1 ZINC000738240532 600453685 /nfs/dbraw/zinc/45/36/85/600453685.db2.gz OBWPEDZDCUHUGY-IBGZPJMESA-N -1 0 341.407 3.791 20 0 EHADRM Cc1[nH]c(C(=O)[C@@H](C)OC(=O)[C@@H](C)CC2CCCC2)c(C)c1C(=O)[O-] ZINC000738238818 600453819 /nfs/dbraw/zinc/45/38/19/600453819.db2.gz ZGDFDRZPVVUCIC-GXFFZTMASA-N -1 0 349.427 3.661 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)Nc2ccccn2)cc1 ZINC000736297925 600454789 /nfs/dbraw/zinc/45/47/89/600454789.db2.gz XCWZXLOUZURHRS-HNNXBMFYSA-N -1 0 341.411 3.717 20 0 EHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)Nc2nccs2)cc1 ZINC000736297143 600454877 /nfs/dbraw/zinc/45/48/77/600454877.db2.gz PCPNJXONUYYKFF-CYBMUJFWSA-N -1 0 347.440 3.778 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccc(-c2ccccc2)[nH]1)c1ccc(F)cc1 ZINC000740294256 600457184 /nfs/dbraw/zinc/45/71/84/600457184.db2.gz XBIFHNUXPYSFRV-QGZVFWFLSA-N -1 0 339.322 3.804 20 0 EHADRM Cc1cc(COC(=O)/C=C\c2ccnc3ccccc23)oc1C(=O)[O-] ZINC000738393741 600457544 /nfs/dbraw/zinc/45/75/44/600457544.db2.gz XUQQTBXZRJTXRV-SREVYHEPSA-N -1 0 337.331 3.591 20 0 EHADRM CC(C)c1ccc2c(Cl)c(C(=O)N(C)CC(=O)[O-])sc2c1 ZINC000736521216 600459195 /nfs/dbraw/zinc/45/91/95/600459195.db2.gz MJBFVZRJBVIWHZ-UHFFFAOYSA-N -1 0 325.817 3.835 20 0 EHADRM Cc1ccccc1[C@@H](C)NC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000738757094 600463657 /nfs/dbraw/zinc/46/36/57/600463657.db2.gz VLDYZLDFQBKUCK-CQSZACIVSA-N -1 0 341.411 3.688 20 0 EHADRM Cc1cc(C)c(NC(=S)NCc2ccc(C(=O)[O-])o2)c(Cl)c1 ZINC000738357200 600467323 /nfs/dbraw/zinc/46/73/23/600467323.db2.gz AZIRCFYIBQPZSS-UHFFFAOYSA-N -1 0 338.816 3.735 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](NC(=O)NCCCC(=O)[O-])C(C)C ZINC000263235042 600468901 /nfs/dbraw/zinc/46/89/01/600468901.db2.gz MZSVDNYJERCSHQ-INIZCTEOSA-N -1 0 332.400 3.602 20 0 EHADRM CC[C@@H](C)[C@@H](C(=O)N(C)c1nc(CC(=O)[O-])cs1)c1ccccc1 ZINC000736868884 600470343 /nfs/dbraw/zinc/47/03/43/600470343.db2.gz BWHMRWXSIWQOHS-MLGOLLRUSA-N -1 0 346.452 3.563 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccccc2OC2CCC2)c(F)c1 ZINC000677848151 600475927 /nfs/dbraw/zinc/47/59/27/600475927.db2.gz QNBYHOQOPGIJQA-UHFFFAOYSA-N -1 0 329.327 3.708 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@H]1CSc2ccccc21)c1ccccc1 ZINC000736850334 600476387 /nfs/dbraw/zinc/47/63/87/600476387.db2.gz VRKGYEKKJJDSEN-JKSUJKDBSA-N -1 0 341.432 3.772 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)CCc2ccc(Cl)cc2Cl)o1 ZINC000336853774 600477626 /nfs/dbraw/zinc/47/76/26/600477626.db2.gz JYPUJEIUCBWBSL-UHFFFAOYSA-N -1 0 342.178 3.534 20 0 EHADRM Cc1ncc(/C=C/C(=O)Nc2cc3ccccc3cc2C(=O)[O-])s1 ZINC000738884232 600478499 /nfs/dbraw/zinc/47/84/99/600478499.db2.gz VDRUQSHVKQAEFN-VOTSOKGWSA-N -1 0 338.388 3.955 20 0 EHADRM Cc1ncc(/C=C\C(=O)Nc2cc3ccccc3cc2C(=O)[O-])s1 ZINC000738884231 600478519 /nfs/dbraw/zinc/47/85/19/600478519.db2.gz VDRUQSHVKQAEFN-SREVYHEPSA-N -1 0 338.388 3.955 20 0 EHADRM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000237375359 600479186 /nfs/dbraw/zinc/47/91/86/600479186.db2.gz PMEJJMWTRVXGRD-YGRLFVJLSA-N -1 0 325.792 3.572 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)N3CCC[C@H](C(=O)[O-])C3)ccc21 ZINC000263515061 600480278 /nfs/dbraw/zinc/48/02/78/600480278.db2.gz ZILHPJTVXGMKPT-HNNXBMFYSA-N -1 0 343.427 3.626 20 0 EHADRM CC(C)(C)c1ccc(CCC(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000236581229 600480405 /nfs/dbraw/zinc/48/04/05/600480405.db2.gz PQXYGUTXLQUZFO-UHFFFAOYSA-N -1 0 329.396 3.524 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000320474036 600481169 /nfs/dbraw/zinc/48/11/69/600481169.db2.gz REQILSHRIOFAFK-UHFFFAOYSA-N -1 0 336.285 3.611 20 0 EHADRM Cc1cc(NC(=O)NCCc2ccc(NC(=O)[O-])cc2)ccc1F ZINC000738442348 600481531 /nfs/dbraw/zinc/48/15/31/600481531.db2.gz VOUNOODYTUYCBK-UHFFFAOYSA-N -1 0 331.347 3.588 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000238006224 600482107 /nfs/dbraw/zinc/48/21/07/600482107.db2.gz KKLOAROQSSDHLE-UHFFFAOYSA-N -1 0 333.771 3.836 20 0 EHADRM C[C@@H]1[C@H](C)SCCN1Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000514729062 600489107 /nfs/dbraw/zinc/48/91/07/600489107.db2.gz HQDFEVZKNNEUKF-NEPJUHHUSA-N -1 0 348.493 3.834 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(F)c(NC(=O)[O-])c1)C(=O)c1ccccc1 ZINC000736547890 600492122 /nfs/dbraw/zinc/49/21/22/600492122.db2.gz FXCAPOZSMLCDHT-LLVKDONJSA-N -1 0 344.342 3.763 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000736904120 600493827 /nfs/dbraw/zinc/49/38/27/600493827.db2.gz PWWCFHARMORJCJ-PKOBYXMFSA-N -1 0 339.435 3.548 20 0 EHADRM CCCCC[C@@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000736983244 600495049 /nfs/dbraw/zinc/49/50/49/600495049.db2.gz CETMBMMPLQCKEM-IAGOWNOFSA-N -1 0 332.444 3.814 20 0 EHADRM CC[C@@H](C)[C@@H]1CCCCN1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736881108 600498366 /nfs/dbraw/zinc/49/83/66/600498366.db2.gz WJNKOFYBPOCFAU-PBHICJAKSA-N -1 0 347.459 3.929 20 0 EHADRM C[C@H]1CCCC[C@@H]1N(C)C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736784341 600498510 /nfs/dbraw/zinc/49/85/10/600498510.db2.gz IDLQYFZMIDBLJE-BBRMVZONSA-N -1 0 333.432 3.539 20 0 EHADRM C[C@@H]1CCCC[C@@H]1N(C)C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736784345 600498597 /nfs/dbraw/zinc/49/85/97/600498597.db2.gz IDLQYFZMIDBLJE-CJNGLKHVSA-N -1 0 333.432 3.539 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCCCOc2ccccc2)cc1Cl ZINC000324358942 600506295 /nfs/dbraw/zinc/50/62/95/600506295.db2.gz QLVNECXTPCRFPC-UHFFFAOYSA-N -1 0 348.786 3.629 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N(Cc2ccncc2)C2CC2)cc1Cl ZINC000740147696 600508843 /nfs/dbraw/zinc/50/88/43/600508843.db2.gz OEMPMCBKRYEEMY-UHFFFAOYSA-N -1 0 345.786 3.630 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)Oc1ccccc1 ZINC000736598075 600515064 /nfs/dbraw/zinc/51/50/64/600515064.db2.gz GKKXTZNKPJBJMI-NSHDSACASA-N -1 0 348.786 3.627 20 0 EHADRM COc1cccc([C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000738091601 600516836 /nfs/dbraw/zinc/51/68/36/600516836.db2.gz KUXPXOXHXOCLBC-SNVBAGLBSA-N -1 0 348.786 3.930 20 0 EHADRM Cc1ccc(NC(=S)NCCCC(=O)[O-])cc1OCCC(C)C ZINC000738627575 600520802 /nfs/dbraw/zinc/52/08/02/600520802.db2.gz HYOAHWQZZROUBZ-UHFFFAOYSA-N -1 0 338.473 3.571 20 0 EHADRM Cc1oc(COC(=O)[C@@H](Cc2ccccc2)C(C)C)cc1C(=O)[O-] ZINC000738984474 600522088 /nfs/dbraw/zinc/52/20/88/600522088.db2.gz VOVROCKRIROPIZ-INIZCTEOSA-N -1 0 330.380 3.844 20 0 EHADRM Cc1ccc(NC(=O)CCCN(C)C(=O)[O-])cc1OCCC(C)C ZINC000738617222 600530638 /nfs/dbraw/zinc/53/06/38/600530638.db2.gz URWNTXDSIQVOKJ-UHFFFAOYSA-N -1 0 336.432 3.748 20 0 EHADRM C[C@]1(NC(=O)Nc2ccc(CC(=O)[O-])cc2)CCCc2ccccc21 ZINC000736738874 600542652 /nfs/dbraw/zinc/54/26/52/600542652.db2.gz SPFRJLZZMRBSTJ-FQEVSTJZSA-N -1 0 338.407 3.687 20 0 EHADRM CCC(CC)[C@@H](NC(=O)NCc1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000736895118 600544852 /nfs/dbraw/zinc/54/48/52/600544852.db2.gz MWASBEBQPYQKMZ-QGZVFWFLSA-N -1 0 344.411 3.955 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000736928923 600550909 /nfs/dbraw/zinc/55/09/09/600550909.db2.gz MKMSRDLHJUVJJJ-LBPRGKRZSA-N -1 0 325.430 3.739 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1ncc(-c2ccccc2)o1 ZINC000237515450 600551127 /nfs/dbraw/zinc/55/11/27/600551127.db2.gz UWBXXOHYBDFZBY-GFCCVEGCSA-N -1 0 336.347 3.531 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)CO[C@H]1CCCC[C@@H]1C ZINC000262440536 600554130 /nfs/dbraw/zinc/55/41/30/600554130.db2.gz UNPBXTLWWBBFBE-BBRMVZONSA-N -1 0 349.427 3.706 20 0 EHADRM C[C@@H](C(=O)N(C[C@H](C)C(=O)[O-])C1CC1)c1c(Cl)cccc1Cl ZINC000666364250 600554855 /nfs/dbraw/zinc/55/48/55/600554855.db2.gz FPDFPGBBAQFSRD-VHSXEESVSA-N -1 0 344.238 3.809 20 0 EHADRM O=C([O-])C1CCN(C(=O)Nc2ccccc2SC(F)(F)F)CC1 ZINC000263470990 600556985 /nfs/dbraw/zinc/55/69/85/600556985.db2.gz HSDHFQGTTNQLOF-UHFFFAOYSA-N -1 0 348.346 3.627 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)N1CCC(C(=O)[O-])CC1 ZINC000263479322 600558173 /nfs/dbraw/zinc/55/81/73/600558173.db2.gz KGJAXINZVWQESK-UHFFFAOYSA-N -1 0 342.848 3.781 20 0 EHADRM O=C([O-])Nc1ccc(CCNc2ccc(Br)cn2)cc1 ZINC000740025252 600560743 /nfs/dbraw/zinc/56/07/43/600560743.db2.gz PGDBWTHXRZARMH-UHFFFAOYSA-N -1 0 336.189 3.589 20 0 EHADRM CC(C)c1ccc(CCNC(=O)c2ccccc2NC(=O)[O-])cc1 ZINC000736514078 600565671 /nfs/dbraw/zinc/56/56/71/600565671.db2.gz KTRYKGWUMOKUMP-UHFFFAOYSA-N -1 0 326.396 3.872 20 0 EHADRM CCc1nc2cc(NC(=O)c3ccccc3NC(=O)[O-])ccc2o1 ZINC000737285174 600571798 /nfs/dbraw/zinc/57/17/98/600571798.db2.gz XKZCKYAVDNMCEW-UHFFFAOYSA-N -1 0 325.324 3.732 20 0 EHADRM Cc1ccc(CCC(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)cc1Cl ZINC000738589009 600591140 /nfs/dbraw/zinc/59/11/40/600591140.db2.gz JPRWMVWLTSSJLY-GOSISDBHSA-N -1 0 345.826 3.865 20 0 EHADRM C[C@@H](CS[C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000736621165 600596300 /nfs/dbraw/zinc/59/63/00/600596300.db2.gz ZHYUJCNESHPYNI-JGVFFNPUSA-N -1 0 336.240 3.774 20 0 EHADRM CN(C(=O)c1cc2c(s1)CCCCC2)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737333109 600596388 /nfs/dbraw/zinc/59/63/88/600596388.db2.gz HKSKNIZDJSUXBU-QGZVFWFLSA-N -1 0 343.448 3.915 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N1CCc2c(Cl)cccc2C1 ZINC000740239667 600600900 /nfs/dbraw/zinc/60/09/00/600600900.db2.gz JVEICTXYFMIMGB-UHFFFAOYSA-N -1 0 330.771 3.628 20 0 EHADRM COc1cc2ccccc2cc1C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737908708 600601094 /nfs/dbraw/zinc/60/10/94/600601094.db2.gz YMGYJHMGELBITR-LJQANCHMSA-N -1 0 349.386 3.746 20 0 EHADRM CC(C)[C@H](SC[C@@H](C)C(=O)[O-])C(=O)Nc1ccc2c(c1)CCC2 ZINC000736606798 600604754 /nfs/dbraw/zinc/60/47/54/600604754.db2.gz IMCNJGFSYAYBQM-WBMJQRKESA-N -1 0 335.469 3.592 20 0 EHADRM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000237220460 600608552 /nfs/dbraw/zinc/60/85/52/600608552.db2.gz CTQQVIWMXXMBAA-BDJLRTHQSA-N -1 0 347.798 3.544 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N(C)[C@@H](C)c3ccccn3)c12 ZINC000564658631 600610796 /nfs/dbraw/zinc/61/07/96/600610796.db2.gz HQCAOISUVMQDNC-JTQLQIEISA-N -1 0 342.424 3.599 20 0 EHADRM CCc1[nH]c(C(=O)N[C@@H](C)c2cccc(C)c2C)c(C)c1C(=O)[O-] ZINC000737241384 600611404 /nfs/dbraw/zinc/61/14/04/600611404.db2.gz NUAHJKCRMWLMGY-ZDUSSCGKSA-N -1 0 328.412 3.692 20 0 EHADRM C[C@@](NC(=O)c1cc(-c2ccccc2)ccc1Cl)(C(=O)[O-])C1CC1 ZINC000237726854 600613259 /nfs/dbraw/zinc/61/32/59/600613259.db2.gz IEHYGCYWCVTLSO-IBGZPJMESA-N -1 0 343.810 3.990 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C[C@H](C)c1cccnc1 ZINC000736486860 600615780 /nfs/dbraw/zinc/61/57/80/600615780.db2.gz GTLFGNVZQUQMSO-ZDUSSCGKSA-N -1 0 342.395 3.699 20 0 EHADRM C[C@@H](OC(=O)Cc1c[nH]c2ccc(Cl)cc12)c1ccc(C(=O)[O-])o1 ZINC000736694209 600619045 /nfs/dbraw/zinc/61/90/45/600619045.db2.gz TYKAOPQVIBRSSI-SECBINFHSA-N -1 0 347.754 3.959 20 0 EHADRM CCc1ocnc1C(=O)OCc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000737290347 600619706 /nfs/dbraw/zinc/61/97/06/600619706.db2.gz MRROUHOLDZKWTA-UHFFFAOYSA-N -1 0 349.339 3.646 20 0 EHADRM Cc1c(NC(=O)NC2(c3cccc(F)c3)CC2)cccc1C(=O)[O-] ZINC000738304351 600624710 /nfs/dbraw/zinc/62/47/10/600624710.db2.gz OYBKTOWILLIZGD-UHFFFAOYSA-N -1 0 328.343 3.643 20 0 EHADRM CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000736928884 600625544 /nfs/dbraw/zinc/62/55/44/600625544.db2.gz HANRNJOUOSGTQA-MRXNPFEDSA-N -1 0 345.374 3.924 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2c[nH]c(-c3ccccc3)n2)ccc1Cl ZINC000738511438 600638910 /nfs/dbraw/zinc/63/89/10/600638910.db2.gz NAGWGXUKNXYHMO-UHFFFAOYSA-N -1 0 341.754 3.681 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@@H](c1ncccc1C)C(C)C ZINC000738532728 600640860 /nfs/dbraw/zinc/64/08/60/600640860.db2.gz IBENRNFAIYFKDY-MRXNPFEDSA-N -1 0 341.411 3.915 20 0 EHADRM CCCCC[C@H](NC(=O)Nc1nc(CC(=O)[O-])cs1)C(C)(C)C ZINC000736984931 600641695 /nfs/dbraw/zinc/64/16/95/600641695.db2.gz QMRZUVCIUZPJBL-LBPRGKRZSA-N -1 0 341.477 3.887 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc3oc(C4CC4)nc3c2)C1 ZINC000179964691 600655215 /nfs/dbraw/zinc/65/52/15/600655215.db2.gz INYXRBAEOJYRRH-NEPJUHHUSA-N -1 0 328.368 3.535 20 0 EHADRM C[C@@H](CC(=O)O[C@@H](C(=O)[O-])c1ccccc1F)c1ccccc1F ZINC000827391600 600656649 /nfs/dbraw/zinc/65/66/49/600656649.db2.gz GUPQXBBIKSDPDI-APPDUMDISA-N -1 0 334.318 3.828 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000832589525 600660407 /nfs/dbraw/zinc/66/04/07/600660407.db2.gz QJKUBOWVFCSAFV-KZULUSFZSA-N -1 0 346.354 3.697 20 0 EHADRM CSc1ccc(O[C@H](C)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000738210973 600661033 /nfs/dbraw/zinc/66/10/33/600661033.db2.gz FFUZWIYSRCWFIY-SNVBAGLBSA-N -1 0 349.383 3.652 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC000236804945 600661219 /nfs/dbraw/zinc/66/12/19/600661219.db2.gz TXTAXGAANMOFIF-JEBQAFNWSA-N -1 0 329.440 3.625 20 0 EHADRM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000262049544 600661982 /nfs/dbraw/zinc/66/19/82/600661982.db2.gz IGLDSMOPNPGVCI-HIEASXQVSA-N -1 0 329.440 3.673 20 0 EHADRM CC1(C)CC[C@H](NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c2ccccc21 ZINC000353953821 600662628 /nfs/dbraw/zinc/66/26/28/600662628.db2.gz ZQEHUTRQVNLMNR-CPUCHLNUSA-N -1 0 329.440 3.806 20 0 EHADRM Cc1csc(-c2ccc(NC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)cc2)n1 ZINC000179987334 600664042 /nfs/dbraw/zinc/66/40/42/600664042.db2.gz HWPXOKXQSYLLBV-UONOGXRCSA-N -1 0 344.436 3.948 20 0 EHADRM Cc1cc(C(=O)COC(=O)c2ccccc2NC(=O)[O-])cc(C)c1F ZINC000832860043 600664837 /nfs/dbraw/zinc/66/48/37/600664837.db2.gz YBCSOZCNTCPMGP-UHFFFAOYSA-N -1 0 345.326 3.572 20 0 EHADRM O=C([O-])[C@H](OC(=O)C[C@@H]1CCc2ccccc2C1)c1ccccc1F ZINC000833097545 600668403 /nfs/dbraw/zinc/66/84/03/600668403.db2.gz OKBBZXRJGIJTIC-BFUOFWGJSA-N -1 0 342.366 3.690 20 0 EHADRM COc1ccc(NCc2csc(Br)c2)c(C(=O)[O-])c1 ZINC000738038288 600676919 /nfs/dbraw/zinc/67/69/19/600676919.db2.gz DGLZORSWHJKSEY-UHFFFAOYSA-N -1 0 342.214 3.830 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC[C@H](O)c1cc(C)cc(C)c1 ZINC000831976628 600682575 /nfs/dbraw/zinc/68/25/75/600682575.db2.gz NJECKFDAQUZELZ-UABRLCRWSA-N -1 0 342.391 3.522 20 0 EHADRM CCC(=CC(=O)OCC(=O)c1cc(C(=O)[O-])co1)c1ccc(C)cc1 ZINC000828549622 600685419 /nfs/dbraw/zinc/68/54/19/600685419.db2.gz NDLFGISLQKDZBA-LCYFTJDESA-N -1 0 342.347 3.506 20 0 EHADRM CC1CCN(c2cc(C(=O)[O-])nc3ccc(Br)cc32)CC1 ZINC000736798734 600686668 /nfs/dbraw/zinc/68/66/68/600686668.db2.gz DHJFODHTTHXQLN-UHFFFAOYSA-N -1 0 349.228 3.932 20 0 EHADRM O=C([O-])c1cccc(-c2noc(-c3ccc(OC(F)F)cc3)n2)c1 ZINC000324656496 600692288 /nfs/dbraw/zinc/69/22/88/600692288.db2.gz DINNIGCVXCNVRD-UHFFFAOYSA-N -1 0 332.262 3.703 20 0 EHADRM CCCN(C(=O)c1ccc(NC(=O)[O-])cc1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000737008161 600692647 /nfs/dbraw/zinc/69/26/47/600692647.db2.gz DOCPBWNEBFZJRQ-HZPDHXFCSA-N -1 0 348.443 3.832 20 0 EHADRM Cc1ccc2c(Cc3nc(-c4cccc(C(=O)[O-])c4)no3)c[nH]c2c1 ZINC000832961582 600694179 /nfs/dbraw/zinc/69/41/79/600694179.db2.gz GVCBKAMDOYZAPG-UHFFFAOYSA-N -1 0 333.347 3.815 20 0 EHADRM COc1cccc([C@@H]2C[C@@H]2c2nc(-c3cccc(C(=O)[O-])c3)no2)c1 ZINC000832541118 600694418 /nfs/dbraw/zinc/69/44/18/600694418.db2.gz ZYZKGPHFNSVGOK-HOTGVXAUSA-N -1 0 336.347 3.715 20 0 EHADRM C[C@H](OC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)c1ccc(C(=O)[O-])o1 ZINC000827816960 600695817 /nfs/dbraw/zinc/69/58/17/600695817.db2.gz FHRXVXQKJRXCJZ-XRNSZHNASA-N -1 0 336.290 3.664 20 0 EHADRM O=C([O-])c1cccc(-c2noc([C@H]3C[C@@H]3c3c(F)cccc3F)n2)c1 ZINC000833327534 600697141 /nfs/dbraw/zinc/69/71/41/600697141.db2.gz BDDJITXUOVTYTD-RYUDHWBXSA-N -1 0 342.301 3.984 20 0 EHADRM C[C@@H](Oc1cccc(F)c1)c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000827896239 600701278 /nfs/dbraw/zinc/70/12/78/600701278.db2.gz QZECBVJSARLWDO-SNVBAGLBSA-N -1 0 328.299 3.714 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)[C@@H]2C[C@]23CCc2ccccc23)cc1 ZINC000830508582 600704382 /nfs/dbraw/zinc/70/43/82/600704382.db2.gz XANPKAVJNKKFDX-PXNSSMCTSA-N -1 0 336.391 3.643 20 0 EHADRM CCC[C@@H]1[C@@H](C)CCCN1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000829244853 600709224 /nfs/dbraw/zinc/70/92/24/600709224.db2.gz BZMBHPMZBIMXRQ-WMLDXEAASA-N -1 0 332.444 3.538 20 0 EHADRM CCC(CC)[C@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000263050278 600715033 /nfs/dbraw/zinc/71/50/33/600715033.db2.gz RASOVWMEKPYMNJ-IRXDYDNUSA-N -1 0 332.444 3.670 20 0 EHADRM CC(C)C(=O)Nc1ccc(N[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000826658181 600732358 /nfs/dbraw/zinc/73/23/58/600732358.db2.gz KNHOGECKACPKQO-INIZCTEOSA-N -1 0 330.359 3.658 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)OCc2ccoc2C(=O)[O-])cc1 ZINC000736512637 600734321 /nfs/dbraw/zinc/73/43/21/600734321.db2.gz KLFLSRKMLXYAIV-JKSUJKDBSA-N -1 0 328.364 3.948 20 0 EHADRM Cc1cc(COC(=O)/C=C/c2cnc(C(C)(C)C)s2)oc1C(=O)[O-] ZINC000832886185 600735999 /nfs/dbraw/zinc/73/59/99/600735999.db2.gz VOATXYRDLSCWCM-AATRIKPKSA-N -1 0 349.408 3.797 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccc(OC2CCC2)cc1)c1ccccc1 ZINC000833349709 600736385 /nfs/dbraw/zinc/73/63/85/600736385.db2.gz FIVDIJCCISRMMG-KRWDZBQOSA-N -1 0 326.348 3.601 20 0 EHADRM O=C([O-])[C@H](Nc1cccc(N2CCCCC2=O)c1)c1ccccc1F ZINC000833168438 600737387 /nfs/dbraw/zinc/73/73/87/600737387.db2.gz AYVJURARPLLJCX-GOSISDBHSA-N -1 0 342.370 3.580 20 0 EHADRM O=C([O-])[C@H](NCc1cc(Br)cs1)c1ccccc1F ZINC000354358922 600738896 /nfs/dbraw/zinc/73/88/96/600738896.db2.gz XBHIBANCJFXDIW-GFCCVEGCSA-N -1 0 344.205 3.565 20 0 EHADRM O=C([O-])[C@@H](Nc1ccc(OC(F)F)c(F)c1)c1ccccc1F ZINC000833170219 600741609 /nfs/dbraw/zinc/74/16/09/600741609.db2.gz OICXZUJNYXJDHS-ZDUSSCGKSA-N -1 0 329.249 3.804 20 0 EHADRM CCOC(=O)N(C)c1ccc(N[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000829857959 600742182 /nfs/dbraw/zinc/74/21/82/600742182.db2.gz VWLWZSHCKSCBDB-MRXNPFEDSA-N -1 0 346.358 3.656 20 0 EHADRM O=C([O-])CCCCNC(=O)N(Cc1ccccc1)C1CCCCC1 ZINC000666561766 600743814 /nfs/dbraw/zinc/74/38/14/600743814.db2.gz DMQAOFLQRIUVJR-UHFFFAOYSA-N -1 0 332.444 3.786 20 0 EHADRM Cc1cc(OS(=O)(=O)c2cccc(C(C)C)c2)c(C(=O)[O-])s1 ZINC000832901167 600748770 /nfs/dbraw/zinc/74/87/70/600748770.db2.gz YAPADWOLINUDPR-UHFFFAOYSA-N -1 0 340.422 3.646 20 0 EHADRM Cc1ccc(N[C@@H](C(=O)[O-])c2ccccc2F)cc1OC(F)F ZINC000832949075 600750616 /nfs/dbraw/zinc/75/06/16/600750616.db2.gz NYPWMFUXMBRKGT-CQSZACIVSA-N -1 0 325.286 3.973 20 0 EHADRM CC(C)(CC(=O)[O-])NC(=O)CCCSc1ccc(Cl)cc1 ZINC000084144379 600781367 /nfs/dbraw/zinc/78/13/67/600781367.db2.gz QJSIABXXJLBZDE-UHFFFAOYSA-N -1 0 329.849 3.582 20 0 EHADRM CC(C)(CC(=O)[O-])NC(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000736311070 600782622 /nfs/dbraw/zinc/78/26/22/600782622.db2.gz HCKRTRULHQUVAH-UHFFFAOYSA-N -1 0 331.343 3.601 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)ccc1F ZINC000833283338 600786095 /nfs/dbraw/zinc/78/60/95/600786095.db2.gz HIUCDWKUANFCKH-IFXJQAMLSA-N -1 0 340.354 3.758 20 0 EHADRM O=C([O-])C[C@H](NC(=O)/C=C\c1ccccc1F)c1cccc(Cl)c1 ZINC000776675134 600800504 /nfs/dbraw/zinc/80/05/04/600800504.db2.gz PPWNXCAKWYPFAZ-QWGSZXSUSA-N -1 0 347.773 3.825 20 0 EHADRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])cc1)c1ncc(-c2ccccc2)o1 ZINC000736687842 600803098 /nfs/dbraw/zinc/80/30/98/600803098.db2.gz FDKMWLLZTVVSBM-GFCCVEGCSA-N -1 0 337.331 3.958 20 0 EHADRM COc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)c(C)c1 ZINC000776679763 600805778 /nfs/dbraw/zinc/80/57/78/600805778.db2.gz XUBHNONVGGASCG-MRXNPFEDSA-N -1 0 347.798 3.603 20 0 EHADRM Cc1cccc([C@H](C)CNC(=O)Nc2cccc(C(=O)[O-])c2C)c1 ZINC000738690468 600810049 /nfs/dbraw/zinc/81/00/49/600810049.db2.gz KHRZJWCMPPTHPR-CYBMUJFWSA-N -1 0 326.396 3.927 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N3C4CCCC3CCC4)c12 ZINC000833001566 600820385 /nfs/dbraw/zinc/82/03/85/600820385.db2.gz ITEMSDKYTNNURO-UHFFFAOYSA-N -1 0 331.441 3.918 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=S)Nc2ccc(Cl)nc2)c2ccccc21 ZINC000739653738 600820888 /nfs/dbraw/zinc/82/08/88/600820888.db2.gz NSSKFDJLKRUSTR-SNVBAGLBSA-N -1 0 347.827 3.510 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000738542474 600832843 /nfs/dbraw/zinc/83/28/43/600832843.db2.gz ZIHMVUDQHBAPAW-OLZOCXBDSA-N -1 0 332.302 3.681 20 0 EHADRM CC(C)c1nn(C)c(Cl)c1C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000736533433 600833994 /nfs/dbraw/zinc/83/39/94/600833994.db2.gz XDVXILAWPFFGFS-UHFFFAOYSA-N -1 0 336.779 3.539 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)c1 ZINC000740042412 600834501 /nfs/dbraw/zinc/83/45/01/600834501.db2.gz IJUQRLRUFHJABG-TZMCWYRMSA-N -1 0 332.306 3.797 20 0 EHADRM CC/C(=C/C(=O)N[C@H](C(=O)[O-])c1cccs1)c1ccc(C)cc1 ZINC000736833400 600837509 /nfs/dbraw/zinc/83/75/09/600837509.db2.gz CKRUHPLJKJPKNE-MOJYJUKOSA-N -1 0 329.421 3.792 20 0 EHADRM COC(=O)[C@@H](C)CS[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000831058801 600840102 /nfs/dbraw/zinc/84/01/02/600840102.db2.gz AWDLDLGLOMLJRU-CPCISQLKSA-N -1 0 337.224 3.661 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000767095228 600851777 /nfs/dbraw/zinc/85/17/77/600851777.db2.gz GPBDHGIGEZAKHY-LLVKDONJSA-N -1 0 333.334 3.870 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000237352690 600853807 /nfs/dbraw/zinc/85/38/07/600853807.db2.gz PKFJIOXRDUOVML-SWLSCSKDSA-N -1 0 349.427 3.788 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)c2ccccc2OC(F)F)c2ccccc21 ZINC000393049984 600854027 /nfs/dbraw/zinc/85/40/27/600854027.db2.gz NVQIGPSMAVAKND-LLVKDONJSA-N -1 0 347.317 3.507 20 0 EHADRM CCCOc1ccc(CCC(=O)NC2(C(=O)[O-])CCCCCC2)cc1 ZINC000829532339 600854550 /nfs/dbraw/zinc/85/45/50/600854550.db2.gz DPRXETNGLCFSGD-UHFFFAOYSA-N -1 0 347.455 3.702 20 0 EHADRM CC(C)(C)c1ccc(-c2ccc(C(=O)NC(C)(C)C(=O)[O-])o2)cc1 ZINC000826627214 600860435 /nfs/dbraw/zinc/86/04/35/600860435.db2.gz LLIDDAKRJXFGIF-UHFFFAOYSA-N -1 0 329.396 3.837 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)/C=C\Sc2ccccc2)c2ccccc21 ZINC000739640705 600860850 /nfs/dbraw/zinc/86/08/50/600860850.db2.gz GUGQNBBFHHKWMY-IWMPZKFUSA-N -1 0 339.416 3.898 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)CCc2ccccc2Cl)c2ccccc21 ZINC000325369511 600862909 /nfs/dbraw/zinc/86/29/09/600862909.db2.gz RYHOIWOHIHJDDW-AWEZNQCLSA-N -1 0 343.810 3.878 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000326577419 600870537 /nfs/dbraw/zinc/87/05/37/600870537.db2.gz AFCTYOGQCDVWGU-QWHCGFSZSA-N -1 0 333.428 3.822 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000171789457 600873590 /nfs/dbraw/zinc/87/35/90/600873590.db2.gz FIQAUUIVFPBVGB-ROUUACIJSA-N -1 0 337.419 3.783 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2SCCc3sccc32)c(C(=O)[O-])c1 ZINC000544407191 600877036 /nfs/dbraw/zinc/87/70/36/600877036.db2.gz QVTSXEWAGHNPCV-CQSZACIVSA-N -1 0 333.434 3.724 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(OC3CCC3)cc2)c(F)c1 ZINC000479571064 600877113 /nfs/dbraw/zinc/87/71/13/600877113.db2.gz ZDBYFTRMWVKFTH-UHFFFAOYSA-N -1 0 329.327 3.708 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc3cc[nH]c32)c(OC(F)F)c1 ZINC000833319989 600883430 /nfs/dbraw/zinc/88/34/30/600883430.db2.gz UGUUJRYLDPJXTO-UHFFFAOYSA-N -1 0 346.289 3.720 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)CSc2ccc(F)cc2)cc1 ZINC000325292806 600883653 /nfs/dbraw/zinc/88/36/53/600883653.db2.gz NGUJUULDCVHOOF-UHFFFAOYSA-N -1 0 347.411 3.919 20 0 EHADRM CN(Cc1csc2ccccc12)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000179971395 600890356 /nfs/dbraw/zinc/89/03/56/600890356.db2.gz CMCDQCVXDLXFIZ-QWHCGFSZSA-N -1 0 331.437 3.751 20 0 EHADRM CN(Cc1csc2ccccc12)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000179971379 600890452 /nfs/dbraw/zinc/89/04/52/600890452.db2.gz CMCDQCVXDLXFIZ-CHWSQXEVSA-N -1 0 331.437 3.751 20 0 EHADRM CC(C)[C@H](C(=O)NCCc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000826677127 600891023 /nfs/dbraw/zinc/89/10/23/600891023.db2.gz PRXFNLMRWGYBON-SFHVURJKSA-N -1 0 340.423 3.875 20 0 EHADRM CCCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])s2)cc1OCC ZINC000829527956 600900717 /nfs/dbraw/zinc/90/07/17/600900717.db2.gz NONZCXYXLSPAPK-UHFFFAOYSA-N -1 0 349.408 3.886 20 0 EHADRM C[C@H](CNC(=O)CCc1ccc(C(=O)[O-])cc1)Sc1ccccc1 ZINC000237399786 600903076 /nfs/dbraw/zinc/90/30/76/600903076.db2.gz HEZHHEJJJYZPMZ-CQSZACIVSA-N -1 0 343.448 3.614 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c1ccccc1C(F)(F)F ZINC000675986069 600906359 /nfs/dbraw/zinc/90/63/59/600906359.db2.gz GVBQBZQBGYLBKJ-HZMBPMFUSA-N -1 0 345.361 3.815 20 0 EHADRM Cc1cccc(C2(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CCCC2)c1 ZINC000486297248 600925636 /nfs/dbraw/zinc/92/56/36/600925636.db2.gz UMSGDULNPPHUKJ-MRXNPFEDSA-N -1 0 331.456 3.670 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc(N3CCCCCC3)cc2)C1 ZINC000328087950 600928392 /nfs/dbraw/zinc/92/83/92/600928392.db2.gz YJGDKIZEFOLAPO-CVEARBPZSA-N -1 0 344.455 3.897 20 0 EHADRM CCC(CC)(NC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3)C(=O)[O-] ZINC000828841980 600928568 /nfs/dbraw/zinc/92/85/68/600928568.db2.gz JUCVDQOVFORUDW-GFCCVEGCSA-N -1 0 342.439 3.666 20 0 EHADRM CCC(CC)(NC(=O)CCc1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000342529195 600928777 /nfs/dbraw/zinc/92/87/77/600928777.db2.gz QDNVUVFUNLWMAU-UHFFFAOYSA-N -1 0 347.455 3.700 20 0 EHADRM CCCC[C@H](Sc1nc2sc(C)c(C)c2c(N)n1)C(=O)[O-] ZINC000736986404 600937360 /nfs/dbraw/zinc/93/73/60/600937360.db2.gz VUEMPAMBXKYOQQ-VIFPVBQESA-N -1 0 325.459 3.626 20 0 EHADRM C[C@H](CC(=O)N(CCC(=O)[O-])c1cccc(F)c1)c1ccccc1 ZINC000736546476 600938910 /nfs/dbraw/zinc/93/89/10/600938910.db2.gz ZHVLQFZHYVPIQZ-CQSZACIVSA-N -1 0 329.371 3.827 20 0 EHADRM O=C([O-])c1ccc(Cl)cc1OC(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000833317538 600939942 /nfs/dbraw/zinc/93/99/42/600939942.db2.gz URCMVKATZRZAFS-BEFAXECRSA-N -1 0 342.778 3.848 20 0 EHADRM CCOc1c(F)cccc1C(=O)O[C@@H](C)c1ccc(C(=O)[O-])cc1 ZINC000830026978 600943829 /nfs/dbraw/zinc/94/38/29/600943829.db2.gz KXGUJRPRCNFEEA-NSHDSACASA-N -1 0 332.327 3.841 20 0 EHADRM COC(=O)c1ccc(NC(=O)c2sccc2C(C)C)cc1C(=O)[O-] ZINC000831430989 600947965 /nfs/dbraw/zinc/94/79/65/600947965.db2.gz PHHNOXVQLCPLSH-UHFFFAOYSA-N -1 0 347.392 3.609 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccnc(Oc3ccccc3)c2)C1 ZINC000833188579 600948594 /nfs/dbraw/zinc/94/85/94/600948594.db2.gz ZKMVMTSVFTXVET-ZIAGYGMSSA-N -1 0 340.379 3.703 20 0 EHADRM CC(C)C[C@H](OC(=O)[C@@H](C)c1ccc(Br)s1)C(=O)[O-] ZINC000826814200 600949044 /nfs/dbraw/zinc/94/90/44/600949044.db2.gz QYCZNPOZTKQASV-IUCAKERBSA-N -1 0 349.246 3.657 20 0 EHADRM CC(C)C[C@H](OC(=O)C[C@@H](c1ccccc1)C(F)(F)F)C(=O)[O-] ZINC000826813255 600949776 /nfs/dbraw/zinc/94/97/76/600949776.db2.gz NEUDATYSZLDOLR-STQMWFEESA-N -1 0 332.318 3.765 20 0 EHADRM CC(C)C[C@H](OC(=O)c1cc(-c2ccccc2Cl)on1)C(=O)[O-] ZINC000826821128 600952497 /nfs/dbraw/zinc/95/24/97/600952497.db2.gz XUVLTISAWLDBLT-AWEZNQCLSA-N -1 0 337.759 3.651 20 0 EHADRM CC(C)C[C@H](OC(=O)CSCc1cccc(Cl)c1)C(=O)[O-] ZINC000826812827 600955447 /nfs/dbraw/zinc/95/54/47/600955447.db2.gz LXPIFYLYNYPCMA-ZDUSSCGKSA-N -1 0 330.833 3.616 20 0 EHADRM CC(C)C[C@H](OC(=O)CSCc1ccc(Cl)cc1)C(=O)[O-] ZINC000826811150 600956121 /nfs/dbraw/zinc/95/61/21/600956121.db2.gz AMMORIQLUJSEPB-ZDUSSCGKSA-N -1 0 330.833 3.616 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2cc(C3CCCCCC3)[nH]n2)C1 ZINC000833185654 600960246 /nfs/dbraw/zinc/96/02/46/600960246.db2.gz HYPUCSQHMKOHPN-KBPBESRZSA-N -1 0 333.432 3.677 20 0 EHADRM CCO[C@@H]1C[C@H](OC(=O)c2ccc(C(=O)[O-])cc2)C12CCCCC2 ZINC000829930925 600961169 /nfs/dbraw/zinc/96/11/69/600961169.db2.gz FRGSPVWIZDGGOL-CVEARBPZSA-N -1 0 332.396 3.670 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1ccsc1C(=O)[O-] ZINC000829009804 600965659 /nfs/dbraw/zinc/96/56/59/600965659.db2.gz QYPRXPPPJPIIEA-LOWVWBTDSA-N -1 0 325.430 3.759 20 0 EHADRM CCO[C@H](C)c1ncc(C(=O)Nc2cc(C)c(C(=O)[O-])s2)s1 ZINC000829907195 600965793 /nfs/dbraw/zinc/96/57/93/600965793.db2.gz DACWEHQSVSNRDM-MRVPVSSYSA-N -1 0 340.426 3.561 20 0 EHADRM CCOc1cccc(NC(=S)Nc2cc(C)c(C(=O)[O-])s2)c1 ZINC000830104288 600969829 /nfs/dbraw/zinc/96/98/29/600969829.db2.gz DWILQDWZVMOAPP-UHFFFAOYSA-N -1 0 336.438 3.962 20 0 EHADRM CCOc1cccc(NC(=S)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC000830104638 600970932 /nfs/dbraw/zinc/97/09/32/600970932.db2.gz KKTVKSSJLKEEQE-UHFFFAOYSA-N -1 0 344.436 3.911 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2cccc(Oc3ccccn3)c2)C1 ZINC000191589388 600977426 /nfs/dbraw/zinc/97/74/26/600977426.db2.gz UXDIJDZZSVNXNA-KGLIPLIRSA-N -1 0 340.379 3.703 20 0 EHADRM CC(C)c1noc(OCc2csc(-c3cccc(C(=O)[O-])c3)n2)n1 ZINC000736537967 600985162 /nfs/dbraw/zinc/98/51/62/600985162.db2.gz MXDBYPWHXDPSKZ-UHFFFAOYSA-N -1 0 345.380 3.594 20 0 EHADRM Cc1nc(S[C@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)sc1C ZINC000738869637 600992393 /nfs/dbraw/zinc/99/23/93/600992393.db2.gz XFFQINBHYXMREG-SNVBAGLBSA-N -1 0 338.454 3.767 20 0 EHADRM O=C([O-])[C@H](N[C@@H](c1nccs1)c1ccccc1)c1ccccc1F ZINC000833168705 600993623 /nfs/dbraw/zinc/99/36/23/600993623.db2.gz ZITUCDJZCNCTML-HZPDHXFCSA-N -1 0 342.395 3.787 20 0 EHADRM O=C([O-])[C@H](CNC(=O)Nc1ccc2ccccc2c1)c1ccccc1 ZINC000393088666 600994656 /nfs/dbraw/zinc/99/46/56/600994656.db2.gz KKGFMRAXNGVHTF-GOSISDBHSA-N -1 0 334.375 3.830 20 0 EHADRM COc1cccc(NC(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000832561924 600995172 /nfs/dbraw/zinc/99/51/72/600995172.db2.gz GLEPRKKZMJXLDK-HNNXBMFYSA-N -1 0 348.786 3.686 20 0 EHADRM Cn1c(C(=O)Oc2ccc(CC(=O)[O-])cc2)ccc1-c1ccccc1 ZINC000739012614 600995562 /nfs/dbraw/zinc/99/55/62/600995562.db2.gz KJDTYNAFKFHMRW-UHFFFAOYSA-N -1 0 335.359 3.538 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1cc(C(=O)[O-])ccc1C)c1nc(C)cs1 ZINC000828685054 600998115 /nfs/dbraw/zinc/99/81/15/600998115.db2.gz DAKWDEAPZOATGP-QGZVFWFLSA-N -1 0 347.440 3.905 20 0 EHADRM Cc1oc(COC(=O)[C@H]2CCSc3ccccc32)cc1C(=O)[O-] ZINC000738980379 600998306 /nfs/dbraw/zinc/99/83/06/600998306.db2.gz FTSVYSDKSJUUOF-ZDUSSCGKSA-N -1 0 332.377 3.609 20 0 EHADRM Cc1ccc(Br)cc1C(=O)NCCCCCCC(=O)[O-] ZINC000087741836 600998544 /nfs/dbraw/zinc/99/85/44/600998544.db2.gz CZJRQPMRXQMFHC-UHFFFAOYSA-N -1 0 342.233 3.522 20 0 EHADRM CC[C@@H](C)C[C@H](C)NC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000828739596 601001723 /nfs/dbraw/zinc/00/17/23/601001723.db2.gz RRFSVYDLYINQHJ-KGLIPLIRSA-N -1 0 347.459 3.931 20 0 EHADRM COc1ccc(NC(=O)c2cc3cccc(F)c3o2)c(C(=O)[O-])c1 ZINC000738034172 601005562 /nfs/dbraw/zinc/00/55/62/601005562.db2.gz HSPZKHOZKDKMDI-UHFFFAOYSA-N -1 0 329.283 3.531 20 0 EHADRM Cc1ccc(-c2ocnc2C(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000237699792 601008991 /nfs/dbraw/zinc/00/89/91/601008991.db2.gz SRMIFYLEUSQXOK-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM C[C@@H](NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)C1CCCCC1 ZINC000320570113 601012125 /nfs/dbraw/zinc/01/21/25/601012125.db2.gz VSTCJFFLLSWFLU-SECBINFHSA-N -1 0 326.343 3.753 20 0 EHADRM CCC[C@@H]1[C@H](C)CCCN1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000829246193 601018755 /nfs/dbraw/zinc/01/87/55/601018755.db2.gz WLTBILFZVYQRNG-CZUORRHYSA-N -1 0 334.416 3.583 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)c2cc3cccc(F)c3o2)cc1 ZINC000740020361 601021282 /nfs/dbraw/zinc/02/12/82/601021282.db2.gz OZVSDDZWLZISNJ-UHFFFAOYSA-N -1 0 342.326 3.634 20 0 EHADRM CCOc1ccc(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc1Cl ZINC000830084412 601022034 /nfs/dbraw/zinc/02/20/34/601022034.db2.gz CIQYLPWEHBXMNU-LLVKDONJSA-N -1 0 342.823 3.607 20 0 EHADRM CC(C)COc1ccc(C(=O)Oc2ccccc2CC(=O)[O-])cc1 ZINC000736445750 601023233 /nfs/dbraw/zinc/02/32/33/601023233.db2.gz HOAIYTWFQKYBFQ-UHFFFAOYSA-N -1 0 328.364 3.568 20 0 EHADRM CO[C@@H](C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000737737890 601033510 /nfs/dbraw/zinc/03/35/10/601033510.db2.gz VHCWKGJYBFNUOG-JTQLQIEISA-N -1 0 349.770 3.804 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)cc1 ZINC000833239345 601035430 /nfs/dbraw/zinc/03/54/30/601035430.db2.gz PGHDXJRCHGQQJR-IJEWVQPXSA-N -1 0 346.427 3.630 20 0 EHADRM Cc1ccc(CC[C@@H](C)NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)o1 ZINC000832929636 601038086 /nfs/dbraw/zinc/03/80/86/601038086.db2.gz BFUWREJUJJBAEN-SNVBAGLBSA-N -1 0 349.362 3.960 20 0 EHADRM C[C@H](CC(=O)N(c1ncc(C(=O)[O-])s1)C1CC1)c1ccc(F)cc1 ZINC000736544378 601040322 /nfs/dbraw/zinc/04/03/22/601040322.db2.gz DZZHQNOASYSAOL-SNVBAGLBSA-N -1 0 348.399 3.670 20 0 EHADRM Cc1cc(NC(=O)N2CC[C@H](Cc3ccccc3)C2)ccc1C(=O)[O-] ZINC000832894842 601041728 /nfs/dbraw/zinc/04/17/28/601041728.db2.gz OLMMLBXUUSRPNT-MRXNPFEDSA-N -1 0 338.407 3.790 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N[C@H]2C[C@H]2C2CCCCC2)cc1 ZINC000833238986 601046946 /nfs/dbraw/zinc/04/69/46/601046946.db2.gz WBMMLJPNSJKWSP-IRXDYDNUSA-N -1 0 330.428 3.794 20 0 EHADRM C[C@@H]1CCC[C@H](C)CN1C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000828238485 601050277 /nfs/dbraw/zinc/05/02/77/601050277.db2.gz HULMSEKQPHVWLG-UONOGXRCSA-N -1 0 333.432 3.839 20 0 EHADRM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000828151291 601060633 /nfs/dbraw/zinc/06/06/33/601060633.db2.gz UXIQCHKGUKITLW-GDBMZVCRSA-N -1 0 338.407 3.870 20 0 EHADRM CC/C(=C\C(=O)N(C[C@@H](C)C(=O)[O-])C1CC1)c1cccc(Cl)c1 ZINC000828549590 601065636 /nfs/dbraw/zinc/06/56/36/601065636.db2.gz MTZKDAQMFAYWHH-GMCKNXKJSA-N -1 0 335.831 3.845 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(C(=O)[O-])s2)CC[C@@H]1c1ccccc1 ZINC000237643643 601066608 /nfs/dbraw/zinc/06/66/08/601066608.db2.gz GPJFNFAMPQOHSE-JSGCOSHPSA-N -1 0 329.421 3.712 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccc(Cl)cc1F)c1ccccc1F ZINC000833352219 601070613 /nfs/dbraw/zinc/07/06/13/601070613.db2.gz UEIRJXNBGVTBGX-CYBMUJFWSA-N -1 0 326.682 3.601 20 0 EHADRM Cc1nc2ccccc2cc1C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000833006715 601070707 /nfs/dbraw/zinc/07/07/07/601070707.db2.gz UNAAFEWJJMBQPI-QGZVFWFLSA-N -1 0 339.322 3.665 20 0 EHADRM CC[C@H](CC(=O)NC[C@@H](C(=O)[O-])c1ccccc1)c1ccc(C)cc1 ZINC000262405229 601074511 /nfs/dbraw/zinc/07/45/11/601074511.db2.gz APYNIZOAFOCUBV-VQIMIIECSA-N -1 0 339.435 3.863 20 0 EHADRM CSc1ccc(Cl)c(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000320219138 601076918 /nfs/dbraw/zinc/07/69/18/601076918.db2.gz YZVPHPJMLVHSKG-AWEZNQCLSA-N -1 0 349.839 3.660 20 0 EHADRM C[C@@H](CC(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1)c1cccnc1 ZINC000827241267 601077378 /nfs/dbraw/zinc/07/73/78/601077378.db2.gz UJIOPMOLFKWJKN-JTQLQIEISA-N -1 0 347.440 3.666 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1cc2c(cccc2F)s1)c1ccccc1 ZINC000392223726 601078791 /nfs/dbraw/zinc/07/87/91/601078791.db2.gz UKNLWNVOWMDBDE-ZDUSSCGKSA-N -1 0 343.379 3.639 20 0 EHADRM CC(C)Sc1ccc(C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000262225069 601081363 /nfs/dbraw/zinc/08/13/63/601081363.db2.gz ULWSFNSYXHEMDX-QGZVFWFLSA-N -1 0 343.448 3.785 20 0 EHADRM CC[C@@H](CC1CCCCC1)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000486341200 601081630 /nfs/dbraw/zinc/08/16/30/601081630.db2.gz AHXNASWTBGDIDQ-FUHWJXTLSA-N -1 0 331.456 3.968 20 0 EHADRM C[C@H](C(=O)N1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-])c1cccc(F)c1 ZINC000825977215 601082361 /nfs/dbraw/zinc/08/23/61/601082361.db2.gz AWYLDSBPEYSYAS-FDQGKXFDSA-N -1 0 347.430 3.811 20 0 EHADRM CCCc1c(C(=O)N2Cc3ccccc3[C@@H]2C)[nH]c(C)c1C(=O)[O-] ZINC000829557049 601084610 /nfs/dbraw/zinc/08/46/10/601084610.db2.gz WMUBGPSHMVULDW-LBPRGKRZSA-N -1 0 326.396 3.691 20 0 EHADRM C[C@@H]1CCC[C@H](CNC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C1 ZINC000392520995 601092005 /nfs/dbraw/zinc/09/20/05/601092005.db2.gz ZVTBIKCQXIZPLY-KGLIPLIRSA-N -1 0 332.444 3.997 20 0 EHADRM C/C(=C/CSc1nc2ccccc2c(=O)n1CCC(C)C)C(=O)[O-] ZINC000736120648 601096806 /nfs/dbraw/zinc/09/68/06/601096806.db2.gz CDBSMTTVRZWVLW-LCYFTJDESA-N -1 0 346.452 3.566 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccccc2N2CCCCC2)C1 ZINC000392151547 601125704 /nfs/dbraw/zinc/12/57/04/601125704.db2.gz LIDSBDREXFLFSY-HUUCEWRRSA-N -1 0 330.428 3.506 20 0 EHADRM CN(Cc1ccc2ccccc2c1)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000261694207 601125987 /nfs/dbraw/zinc/12/59/87/601125987.db2.gz NZKISUUZEJDVQF-ROUUACIJSA-N -1 0 325.408 3.689 20 0 EHADRM CN(Cc1cc2ccccc2o1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000830810704 601129801 /nfs/dbraw/zinc/12/98/01/601129801.db2.gz HMZJEYVFGYTIDU-UHFFFAOYSA-N -1 0 342.326 3.934 20 0 EHADRM Cc1cnc([C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)s1 ZINC000316852246 601130152 /nfs/dbraw/zinc/13/01/52/601130152.db2.gz HRPIYYZHYVABHP-MRVPVSSYSA-N -1 0 339.804 3.686 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000128698344 601134137 /nfs/dbraw/zinc/13/41/37/601134137.db2.gz SXPYXQODQNTALX-UHFFFAOYSA-N -1 0 348.358 3.505 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000325889185 601136762 /nfs/dbraw/zinc/13/67/62/601136762.db2.gz QFKDNCZIPTWVSD-GFCCVEGCSA-N -1 0 328.368 3.585 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)CCC3)c1 ZINC000833287796 601139101 /nfs/dbraw/zinc/13/91/01/601139101.db2.gz HYKIUKZICRLNPY-UHFFFAOYSA-N -1 0 339.351 3.940 20 0 EHADRM Cc1cccc2cc(C(=O)N(CC(=O)[O-])c3cccc(F)c3)oc21 ZINC000832975420 601142449 /nfs/dbraw/zinc/14/24/49/601142449.db2.gz VGMOGFDVZDQUOY-UHFFFAOYSA-N -1 0 327.311 3.612 20 0 EHADRM O=C([O-])c1ccc(C(=O)Oc2ccc(Oc3nccs3)cc2)cc1 ZINC000833312238 601143901 /nfs/dbraw/zinc/14/39/01/601143901.db2.gz NBJMBUCHTMLLKO-UHFFFAOYSA-N -1 0 341.344 3.853 20 0 EHADRM O=C([O-])CN(Cc1cnc(Cl)s1)Cc1ccc(Cl)cc1 ZINC000833249119 601145054 /nfs/dbraw/zinc/14/50/54/601145054.db2.gz CLXUVXFZTGVGMY-UHFFFAOYSA-N -1 0 331.224 3.537 20 0 EHADRM C[C@H](CC(=O)N(CC(=O)[O-])c1cccc(F)c1)c1ccccc1F ZINC000827217748 601146527 /nfs/dbraw/zinc/14/65/27/601146527.db2.gz IQEVHODCFHRCRJ-GFCCVEGCSA-N -1 0 333.334 3.576 20 0 EHADRM Cc1ccc(N(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C2CCCCC2)nc1 ZINC000832936075 601155450 /nfs/dbraw/zinc/15/54/50/601155450.db2.gz WNAKEBMPXPTRPZ-CVEARBPZSA-N -1 0 344.455 3.947 20 0 EHADRM Cc1ccc(N(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)C2CCCCC2)nc1 ZINC000832936080 601155581 /nfs/dbraw/zinc/15/55/81/601155581.db2.gz WNAKEBMPXPTRPZ-HZPDHXFCSA-N -1 0 344.455 3.947 20 0 EHADRM CC(C)Oc1ccc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000675998275 601161824 /nfs/dbraw/zinc/16/18/24/601161824.db2.gz HDLKUUJQFIDRMT-RDTXWAMCSA-N -1 0 341.407 3.666 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000237733507 601162861 /nfs/dbraw/zinc/16/28/61/601162861.db2.gz IDYSZBKRJXHERY-CNTUIPAMSA-N -1 0 341.382 3.807 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)C/C=C/c1ccc(F)cc1)c1ccccc1 ZINC000237494168 601167366 /nfs/dbraw/zinc/16/73/66/601167366.db2.gz XTCOBMFYIOLANJ-WQYQBZSFSA-N -1 0 341.382 3.807 20 0 EHADRM Cc1cccc2cc(C(=O)N[C@@H](c3ccccc3)[C@@H](C)C(=O)[O-])oc21 ZINC000486043819 601169385 /nfs/dbraw/zinc/16/93/85/601169385.db2.gz WZRCRZACKJLEDC-CXAGYDPISA-N -1 0 337.375 3.933 20 0 EHADRM COc1ccc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c(Cl)c1 ZINC000832169718 601169896 /nfs/dbraw/zinc/16/98/96/601169896.db2.gz DVCQPBAXSJOICJ-MEDUHNTESA-N -1 0 347.798 3.540 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)Cc1cc2ccccc2o1)c1ccccc1 ZINC000826031512 601170637 /nfs/dbraw/zinc/17/06/37/601170637.db2.gz OXUVBNOJZARZMA-ORAYPTAESA-N -1 0 337.375 3.554 20 0 EHADRM Cc1ccccc1CCC(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000237658064 601171732 /nfs/dbraw/zinc/17/17/32/601171732.db2.gz OZHBJFOTGOXVCA-DNVCBOLYSA-N -1 0 325.408 3.506 20 0 EHADRM C[C@H]1Sc2ccccc2N(C(=O)c2ccc(C(=O)[O-])cc2)[C@H]1C ZINC000828521228 601174088 /nfs/dbraw/zinc/17/40/88/601174088.db2.gz IZPFDSIZYLPXGS-NWDGAFQWSA-N -1 0 327.405 3.914 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@@H]1CCCS1)c1ccc(Cl)cc1Cl ZINC000833351412 601175364 /nfs/dbraw/zinc/17/53/64/601175364.db2.gz QXMIYMAGJJDJRE-WDEREUQCSA-N -1 0 335.208 3.558 20 0 EHADRM CCO[C@H](CCNC(=O)Nc1cccc(C(=O)[O-])c1C)C1CCCC1 ZINC000829919172 601176664 /nfs/dbraw/zinc/17/66/64/601176664.db2.gz WYXXBSFSLKXEEY-QGZVFWFLSA-N -1 0 348.443 3.800 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cc(Cl)ccc2Cl)CCCCC1 ZINC000084146480 601184725 /nfs/dbraw/zinc/18/47/25/601184725.db2.gz WKONMNUITZHPJS-UHFFFAOYSA-N -1 0 330.211 3.901 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)NC3(CC(=O)[O-])CCCCC3)c2c1 ZINC000537401215 601186147 /nfs/dbraw/zinc/18/61/47/601186147.db2.gz OMONSDNQLQRGRM-UHFFFAOYSA-N -1 0 342.439 3.703 20 0 EHADRM O=C([O-])CC1(NC(=O)Cc2ccccc2C(F)(F)F)CCCCC1 ZINC000537403111 601186173 /nfs/dbraw/zinc/18/61/73/601186173.db2.gz MQCZBHZGDSZOFS-UHFFFAOYSA-N -1 0 343.345 3.542 20 0 EHADRM CCOc1ccccc1Oc1ccccc1C(=O)O[C@@H](C)C(=O)[O-] ZINC000830116831 601188998 /nfs/dbraw/zinc/18/89/98/601188998.db2.gz FICSKQNUSWZBRX-LBPRGKRZSA-N -1 0 330.336 3.508 20 0 EHADRM O=C([O-])c1occc1COC(=O)c1cc(Cl)ccc1OC(F)F ZINC000833353041 601189587 /nfs/dbraw/zinc/18/95/87/601189587.db2.gz MGGFPOROKLWXLM-UHFFFAOYSA-N -1 0 346.669 3.590 20 0 EHADRM CCS[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000830157691 601192664 /nfs/dbraw/zinc/19/26/64/601192664.db2.gz LUYJYLBIOMNFMQ-AAEUAGOBSA-N -1 0 341.408 3.711 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)OCc1cc(C(=O)[O-])oc1C ZINC000832992454 601194602 /nfs/dbraw/zinc/19/46/02/601194602.db2.gz KYUKKFKXYDBDRS-UHFFFAOYSA-N -1 0 341.319 3.607 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](c2nc(Cc3cccc4cccnc43)no2)C1 ZINC000833188377 601207882 /nfs/dbraw/zinc/20/78/82/601207882.db2.gz YGNMIPCTELKITD-LSDHHAIUSA-N -1 0 337.379 3.567 20 0 EHADRM C[C@@H](NC(=O)COc1ccccc1NC(=O)[O-])c1ccccc1Cl ZINC000827637315 601228403 /nfs/dbraw/zinc/22/84/03/601228403.db2.gz RUFZWACUBJDWGK-LLVKDONJSA-N -1 0 348.786 3.686 20 0 EHADRM Cc1ccc(OCc2nc(Cc3ccccc3C)no2)c(C(=O)[O-])c1 ZINC000832951734 601228630 /nfs/dbraw/zinc/22/86/30/601228630.db2.gz NBCVGMNRENCZJN-UHFFFAOYSA-N -1 0 338.363 3.554 20 0 EHADRM CCCC[C@H](Cc1ccccn1)OC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000829287124 601239168 /nfs/dbraw/zinc/23/91/68/601239168.db2.gz YMYWOCCUNLLGTA-ZMSDIMECSA-N -1 0 333.428 3.617 20 0 EHADRM O=C([O-])c1cc(C(=O)N(Cc2ccccc2)c2ccccc2)ccn1 ZINC000238159134 601244566 /nfs/dbraw/zinc/24/45/66/601244566.db2.gz APIMBKIERQLXMP-UHFFFAOYSA-N -1 0 332.359 3.627 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCc1ccc(C(F)(F)F)cc1 ZINC000013420519 601245621 /nfs/dbraw/zinc/24/56/21/601245621.db2.gz VRRMGKIRDVTRKC-UHFFFAOYSA-N -1 0 326.270 3.991 20 0 EHADRM O=C([O-])c1cc(Br)ccc1OC(=O)[C@H]1CC12CCCC2 ZINC000833295858 601270187 /nfs/dbraw/zinc/27/01/87/601270187.db2.gz HDFUDCKDZXWTAP-LLVKDONJSA-N -1 0 339.185 3.633 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1c(Cl)cccc1Cl)C2 ZINC000317402255 601283091 /nfs/dbraw/zinc/28/30/91/601283091.db2.gz WQVNMEFRQJLERO-UHFFFAOYSA-N -1 0 336.174 3.848 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000588388013 601283522 /nfs/dbraw/zinc/28/35/22/601283522.db2.gz ILFRZVWJHBIORR-KAUXGEHWSA-N -1 0 341.382 3.951 20 0 EHADRM C[C@@]1(CCc2ccccc2)CCN(C(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000262415467 601294600 /nfs/dbraw/zinc/29/46/00/601294600.db2.gz PAZZHIRDNASPEG-LJQANCHMSA-N -1 0 343.448 3.931 20 0 EHADRM Cc1ccc(SCC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000237661750 601298182 /nfs/dbraw/zinc/29/81/82/601298182.db2.gz JKWKSGCQFUMRKQ-RDTXWAMCSA-N -1 0 343.448 3.665 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1cc(Cl)ccc1F)c1ccccc1 ZINC000237622577 601298971 /nfs/dbraw/zinc/29/89/71/601298971.db2.gz GKVYZMLNQHFKNR-BONVTDFDSA-N -1 0 335.762 3.671 20 0 EHADRM CO[C@H](C)c1nc(CN(Cc2ccccc2)C[C@H](C)C(=O)[O-])cs1 ZINC000570168045 601304720 /nfs/dbraw/zinc/30/47/20/601304720.db2.gz FSEBECCOYNKEGC-UONOGXRCSA-N -1 0 348.468 3.573 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1nc(-c2ccccc2F)oc1C ZINC000761919617 601308083 /nfs/dbraw/zinc/30/80/83/601308083.db2.gz HENLKJMYBCSBBF-UHFFFAOYSA-N -1 0 348.374 3.552 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Cc1coc2c1ccc(C)c2C ZINC000540710714 601309047 /nfs/dbraw/zinc/30/90/47/601309047.db2.gz JCZNTUBZIBXZHV-UHFFFAOYSA-N -1 0 331.412 3.742 20 0 EHADRM CSc1ccc(NC(=O)N2CCC(CC(=O)[O-])CC2)cc1Cl ZINC000832781010 601315812 /nfs/dbraw/zinc/31/58/12/601315812.db2.gz OEUGVWFFKCTZRU-UHFFFAOYSA-N -1 0 342.848 3.781 20 0 EHADRM CCCc1ccc(NS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1 ZINC000324059468 601318701 /nfs/dbraw/zinc/31/87/01/601318701.db2.gz WHZISFHBIPHRAT-JYRVWZFOSA-N -1 0 345.420 3.538 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000828201931 601334356 /nfs/dbraw/zinc/33/43/56/601334356.db2.gz XTDUCAVHRMZKKM-IQMDTDKHSA-N -1 0 338.354 3.848 20 0 EHADRM Cc1cccc([C@@H](NC(=O)N2CCC(C(=O)[O-])CC2)C(C)(C)C)c1 ZINC000263207510 601337242 /nfs/dbraw/zinc/33/72/42/601337242.db2.gz IHEYYKHOZPTZJM-MRXNPFEDSA-N -1 0 332.444 3.588 20 0 EHADRM Cc1cccc([C@H](NC(=O)N2CCC(C(=O)[O-])CC2)C(C)(C)C)c1 ZINC000263207508 601337252 /nfs/dbraw/zinc/33/72/52/601337252.db2.gz IHEYYKHOZPTZJM-INIZCTEOSA-N -1 0 332.444 3.588 20 0 EHADRM Cc1cccc([C@H](NC(=O)N2CCC[C@H](C(=O)[O-])C2)C(C)(C)C)c1 ZINC000263226797 601337260 /nfs/dbraw/zinc/33/72/60/601337260.db2.gz LYLAUKOEQSPZQX-HOTGVXAUSA-N -1 0 332.444 3.588 20 0 EHADRM C[C@H](SCc1ncc(-c2cccc(Br)c2)o1)C(=O)[O-] ZINC000827908820 601344638 /nfs/dbraw/zinc/34/46/38/601344638.db2.gz NJGSMMOOCCACOM-QMMMGPOBSA-N -1 0 342.214 3.810 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OCc1csc([C@H](C)OC)n1 ZINC000831975270 601344715 /nfs/dbraw/zinc/34/47/15/601344715.db2.gz DGAFTEFMNUUKLL-XOIDGJRKSA-N -1 0 349.408 3.536 20 0 EHADRM CO[C@@H](C)c1nc(CN2CCCc3c(C(=O)[O-])cccc32)cs1 ZINC000557334309 601353272 /nfs/dbraw/zinc/35/32/72/601353272.db2.gz DHCGSAZTEMWNDJ-NSHDSACASA-N -1 0 332.425 3.502 20 0 EHADRM CO[C@H](C)c1nc(CN2CCCc3c(C(=O)[O-])cccc32)cs1 ZINC000557334305 601353298 /nfs/dbraw/zinc/35/32/98/601353298.db2.gz DHCGSAZTEMWNDJ-LLVKDONJSA-N -1 0 332.425 3.502 20 0 EHADRM O=C([O-])CCc1nc(CS[C@@H]2CCCCc3ccccc32)no1 ZINC000833241294 601356804 /nfs/dbraw/zinc/35/68/04/601356804.db2.gz FNLCODTUWKDMCG-CQSZACIVSA-N -1 0 332.425 3.788 20 0 EHADRM Cc1cc(C)c(NC(=O)COc2ccccc2NC(=O)[O-])c(C)c1 ZINC000832874942 601369261 /nfs/dbraw/zinc/36/92/61/601369261.db2.gz QDRQEILJWVVITH-UHFFFAOYSA-N -1 0 328.368 3.719 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)Nc1cccnc1Cl)C(=O)[O-] ZINC000827921904 601370548 /nfs/dbraw/zinc/37/05/48/601370548.db2.gz KRTLFXQGIWQWKW-SECBINFHSA-N -1 0 336.800 3.553 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1cccc(OC[C@H]2CCCO2)c1 ZINC000830378895 601390088 /nfs/dbraw/zinc/39/00/88/601390088.db2.gz ARTVDTCPRAFHSH-MRXNPFEDSA-N -1 0 345.395 3.710 20 0 EHADRM Cc1cc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c(C)n1C(C)C ZINC000236709917 601394150 /nfs/dbraw/zinc/39/41/50/601394150.db2.gz KUDBRLXSENYJCJ-RDTXWAMCSA-N -1 0 342.439 3.878 20 0 EHADRM Cc1nc(NC(=O)NC2(CC(=O)[O-])CCC2)sc1-c1ccccc1 ZINC000833002360 601403816 /nfs/dbraw/zinc/40/38/16/601403816.db2.gz VSHLTBVHQAIOKJ-UHFFFAOYSA-N -1 0 345.424 3.637 20 0 EHADRM C[C@@H](C(=O)OCc1csc(-c2ccc(C(=O)[O-])cc2)n1)C1CC1 ZINC000826070752 601404271 /nfs/dbraw/zinc/40/42/71/601404271.db2.gz DORXNONETAJRRK-SNVBAGLBSA-N -1 0 331.393 3.598 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CSc1ccc2c(c1)OCCCO2 ZINC000830394948 601405238 /nfs/dbraw/zinc/40/52/38/601405238.db2.gz RYUGGPFBCIZHGY-UHFFFAOYSA-N -1 0 334.393 3.994 20 0 EHADRM Cc1oc(COc2ccc(-c3noc(C4CC4)n3)cc2)cc1C(=O)[O-] ZINC000833028077 601407942 /nfs/dbraw/zinc/40/79/42/601407942.db2.gz ZZRCWCOLSJPWMO-UHFFFAOYSA-N -1 0 340.335 3.793 20 0 EHADRM C/C(=C/COC(=O)c1ccc(C2SCCCS2)cc1)C(=O)[O-] ZINC000825774953 601408666 /nfs/dbraw/zinc/40/86/66/601408666.db2.gz IQVCNQSNTIHBPK-XFFZJAGNSA-N -1 0 338.450 3.743 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000830374415 601417243 /nfs/dbraw/zinc/41/72/43/601417243.db2.gz GCLRJVNJCPFDMW-UHFFFAOYSA-N -1 0 342.370 3.719 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])s1)c1c(F)cccc1Cl ZINC000827695457 601426446 /nfs/dbraw/zinc/42/64/46/601426446.db2.gz UKJQTJTYPXJUFS-SSDOTTSWSA-N -1 0 327.764 3.730 20 0 EHADRM O=C([O-])[C@@H](CNc1ncc(Cl)cn1)Cc1ccc2ccccc2c1 ZINC000833164779 601434971 /nfs/dbraw/zinc/43/49/71/601434971.db2.gz YZZNHXHGMUXJRW-OAHLLOKOSA-N -1 0 341.798 3.639 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cccc(Oc3ccccc3)c2)CCC1 ZINC000262552366 601435259 /nfs/dbraw/zinc/43/52/59/601435259.db2.gz XLVHEWLDXLWFFC-UHFFFAOYSA-N -1 0 325.364 3.606 20 0 EHADRM Cc1nc(NC(=O)c2c[nH]cc2-c2ccc(F)cc2)sc1C(=O)[O-] ZINC000833002383 601435565 /nfs/dbraw/zinc/43/55/65/601435565.db2.gz WQIDRXQFYUFWIM-UHFFFAOYSA-N -1 0 345.355 3.536 20 0 EHADRM Cc1nc(NC(=O)c2cccc3c(C)c(C)[nH]c32)sc1C(=O)[O-] ZINC000833002456 601435644 /nfs/dbraw/zinc/43/56/44/601435644.db2.gz ZTRUABGRRKRSFZ-UHFFFAOYSA-N -1 0 329.381 3.500 20 0 EHADRM Cc1nc(NC(=O)CCCCC(=O)c2ccccc2)sc1C(=O)[O-] ZINC000833004251 601436786 /nfs/dbraw/zinc/43/67/86/601436786.db2.gz SVCXOUGDGGDTTP-UHFFFAOYSA-N -1 0 346.408 3.532 20 0 EHADRM O=C([O-])CC1(NC(=O)CCCSc2ccc(Cl)cc2)CCC1 ZINC000262348766 601438169 /nfs/dbraw/zinc/43/81/69/601438169.db2.gz VBXNJDIPPAAMAD-UHFFFAOYSA-N -1 0 341.860 3.726 20 0 EHADRM Cc1ccc(CCC(=O)Oc2ccc3c(c2)c(C(=O)[O-])c(C)n3C)o1 ZINC000832929732 601451019 /nfs/dbraw/zinc/45/10/19/601451019.db2.gz DAVRENLCRQKUCC-UHFFFAOYSA-N -1 0 341.363 3.625 20 0 EHADRM COc1ccc(NC(=O)[C@H](C)SCc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000832388100 601456004 /nfs/dbraw/zinc/45/60/04/601456004.db2.gz BMJLVRPXGZZIAW-NSHDSACASA-N -1 0 349.408 3.555 20 0 EHADRM Cc1ccc(CNC(=O)[C@@H](C)SCc2cccc(C(=O)[O-])c2)cc1 ZINC000832932883 601456983 /nfs/dbraw/zinc/45/69/83/601456983.db2.gz ZITDFFBCCIRPKD-CQSZACIVSA-N -1 0 343.448 3.631 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1cc2ccccc2s1 ZINC000324771796 601473662 /nfs/dbraw/zinc/47/36/62/601473662.db2.gz ZKULXIUFAKGNNQ-QGZVFWFLSA-N -1 0 337.400 3.726 20 0 EHADRM COc1ccc([C@H](C)CC(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000832220713 601474386 /nfs/dbraw/zinc/47/43/86/601474386.db2.gz DIXFESFUIKQFGB-KZULUSFZSA-N -1 0 346.354 3.697 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000832220709 601474489 /nfs/dbraw/zinc/47/44/89/601474489.db2.gz DEPVCQAYIJMBHT-ZDUSSCGKSA-N -1 0 328.364 3.630 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)Nc2ccc(Cl)c(F)c2)CC1 ZINC000315926528 601485122 /nfs/dbraw/zinc/48/51/22/601485122.db2.gz PARFFXIZKAEFLX-UHFFFAOYSA-N -1 0 328.771 3.588 20 0 EHADRM CCCOc1ccc(NC(=O)N2CCC(CCC(=O)[O-])CC2)c(C)c1 ZINC000656602255 601485619 /nfs/dbraw/zinc/48/56/19/601485619.db2.gz ZTLMBOJXCUTAGX-UHFFFAOYSA-N -1 0 348.443 3.893 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC000327319327 601486093 /nfs/dbraw/zinc/48/60/93/601486093.db2.gz BDPIRTGNBQJQCN-CQSZACIVSA-N -1 0 348.443 3.973 20 0 EHADRM CCC1CCC(NCc2ncc(-c3ccccc3F)o2)(C(=O)[O-])CC1 ZINC000829107487 601495443 /nfs/dbraw/zinc/49/54/43/601495443.db2.gz LZQFMTBYUOVPDS-UHFFFAOYSA-N -1 0 346.402 3.994 20 0 EHADRM C[C@@H](C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-])c1ccc(Cl)s1 ZINC000262841950 601496879 /nfs/dbraw/zinc/49/68/79/601496879.db2.gz ZXASGLYFYCBCRR-MEBBXXQBSA-N -1 0 349.839 3.716 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)/C=C2/CC[C@H](C)C2)cc1 ZINC000832777444 601501463 /nfs/dbraw/zinc/50/14/63/601501463.db2.gz MYTBBJJMFYRKRY-BXFRSGEWSA-N -1 0 333.453 3.787 20 0 EHADRM O=C([O-])c1cccc(NC(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000833137537 601529044 /nfs/dbraw/zinc/52/90/44/601529044.db2.gz BNLGHNCOBDSMTF-ZYHUDNBSSA-N -1 0 344.333 3.875 20 0 EHADRM O=C([O-])c1cc(NC(=O)C2(Cc3ccccc3)CC2)ccc1Cl ZINC000678980317 601531942 /nfs/dbraw/zinc/53/19/42/601531942.db2.gz XIFDAGBGGDBWPM-UHFFFAOYSA-N -1 0 329.783 4.000 20 0 EHADRM Cc1ccnc(Oc2ccc(NC(=O)c3cccc(C(=O)[O-])c3)cc2)n1 ZINC000821131245 601543295 /nfs/dbraw/zinc/54/32/95/601543295.db2.gz WLONVJGVYJHWBO-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM CC1CC(C(=O)OCc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000828156977 601568098 /nfs/dbraw/zinc/56/80/98/601568098.db2.gz WEXAQENYWVTKRL-UHFFFAOYSA-N -1 0 331.393 3.598 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000776650783 601582192 /nfs/dbraw/zinc/58/21/92/601582192.db2.gz QSCULMQMNHJRNV-OFAQMXQXSA-N -1 0 347.773 3.825 20 0 EHADRM O=C([O-])[C@@H](NC(=O)C1(Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000833168274 601583059 /nfs/dbraw/zinc/58/30/59/601583059.db2.gz WLXLHNKECSLVEJ-INIZCTEOSA-N -1 0 343.810 3.605 20 0 EHADRM C/C(=C/C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccccc1 ZINC000776650959 601585237 /nfs/dbraw/zinc/58/52/37/601585237.db2.gz PQCRWNHZEKVYKE-WFTPILKQSA-N -1 0 329.783 3.685 20 0 EHADRM CC(C)c1csc(NC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])n1 ZINC000827144930 601603770 /nfs/dbraw/zinc/60/37/70/601603770.db2.gz XHYGDYBCBOBQCC-FZMZJTMJSA-N -1 0 347.440 3.850 20 0 EHADRM CSc1cccc(NC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000832790810 601614303 /nfs/dbraw/zinc/61/43/03/601614303.db2.gz VLABTDLNJOLWHX-LRDDRELGSA-N -1 0 344.436 3.992 20 0 EHADRM C[C@@H]1CCc2c(C(=O)Nc3ccccc3CC(=O)[O-])csc2C1 ZINC000237439167 601615142 /nfs/dbraw/zinc/61/51/42/601615142.db2.gz LLPWAHGHBKQNDM-LLVKDONJSA-N -1 0 329.421 3.752 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1ccc(-c2ccccc2F)o1 ZINC000238098950 601615766 /nfs/dbraw/zinc/61/57/66/601615766.db2.gz JKLZTQQATFQVHL-UHFFFAOYSA-N -1 0 339.322 3.965 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Nc1ccc2c(c1)oc1ccccc12)C1CC1 ZINC000833198808 601619259 /nfs/dbraw/zinc/61/92/59/601619259.db2.gz LITGVWFYKYKIOZ-HNNXBMFYSA-N -1 0 338.363 3.961 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(F)c(F)c1)c1ccc(Cl)cc1 ZINC000833264611 601621673 /nfs/dbraw/zinc/62/16/73/601621673.db2.gz CGXPEVFWTNIIGL-AWEZNQCLSA-N -1 0 339.725 3.564 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCCC[C@H]2c2ccc(F)cc2)C1 ZINC000647167630 601623479 /nfs/dbraw/zinc/62/34/79/601623479.db2.gz MWCSMLQBBMJAHL-UXLLHSPISA-N -1 0 333.403 3.770 20 0 EHADRM O=C([O-])[C@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000136476153 601627761 /nfs/dbraw/zinc/62/77/61/601627761.db2.gz WUEYQVUMWJUTGC-MBNYWOFBSA-N -1 0 342.222 3.563 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2c[nH]nc2-c2cccc(Cl)c2)c1 ZINC000833329846 601637286 /nfs/dbraw/zinc/63/72/86/601637286.db2.gz HXEVJPHLHAUFMU-UHFFFAOYSA-N -1 0 341.754 3.681 20 0 EHADRM CCO[C@H]1C[C@@H](N(C)C(=O)c2cccc(NC(=O)[O-])c2)C1(CC)CC ZINC000829917826 601663018 /nfs/dbraw/zinc/66/30/18/601663018.db2.gz JGZIVTZNJPELLS-CVEARBPZSA-N -1 0 348.443 3.832 20 0 EHADRM CC(C)Sc1ccc([C@H](C)NC(=O)NCC(C)(C)C(=O)[O-])cc1 ZINC000827072849 601670950 /nfs/dbraw/zinc/67/09/50/601670950.db2.gz KDWYPQQVYLXWOF-LBPRGKRZSA-N -1 0 338.473 3.658 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)[C@@H]2C[C@@H]2Cc2ccccc2)ccc1F ZINC000833284219 601674742 /nfs/dbraw/zinc/67/47/42/601674742.db2.gz RELBSUFQYDFJSZ-GXTWGEPZSA-N -1 0 328.343 3.733 20 0 EHADRM CC(C)OC(=O)O[C@H](C)Sc1nc2ccc(C(=O)[O-])cc2o1 ZINC000826990154 601676744 /nfs/dbraw/zinc/67/67/44/601676744.db2.gz OHMCRDQGJXUKPH-QMMMGPOBSA-N -1 0 325.342 3.526 20 0 EHADRM Cc1ccc(NC(=O)CCC(=O)c2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC000832942917 601688438 /nfs/dbraw/zinc/68/84/38/601688438.db2.gz UZDVXCJOHMKORZ-UHFFFAOYSA-N -1 0 347.317 3.573 20 0 EHADRM CC(C)CC1(CNC(=O)c2ccccc2S[C@H](C)C(=O)[O-])CC1 ZINC000236672630 601688695 /nfs/dbraw/zinc/68/86/95/601688695.db2.gz WDOPJHHOJXYZBP-CYBMUJFWSA-N -1 0 335.469 3.808 20 0 EHADRM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000245709013 601689494 /nfs/dbraw/zinc/68/94/94/601689494.db2.gz MZPZDIXFMQQLLZ-HRCADAONSA-N -1 0 347.455 3.680 20 0 EHADRM Cc1ccc(SC2(C(=O)N3C[C@H](C)[C@H](C(=O)[O-])C3)CCCC2)cc1 ZINC000832958249 601696362 /nfs/dbraw/zinc/69/63/62/601696362.db2.gz XZZZAZHLRZHVIW-GOEBONIOSA-N -1 0 347.480 3.579 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1ccnc2ccccc21 ZINC000833033528 601711523 /nfs/dbraw/zinc/71/15/23/601711523.db2.gz XAIYUJVFGHXSRR-UHFFFAOYSA-N -1 0 327.361 3.660 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1cnc(Cl)c(Cl)c1 ZINC000833031266 601720465 /nfs/dbraw/zinc/72/04/65/601720465.db2.gz KEJOHFKJLPVWQH-UHFFFAOYSA-N -1 0 346.191 3.814 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2c[nH]c3cc(F)ccc23)cc1F ZINC000833315773 601725595 /nfs/dbraw/zinc/72/55/95/601725595.db2.gz DNINOYIKZZBXIU-UHFFFAOYSA-N -1 0 331.274 3.501 20 0 EHADRM O=C([O-])c1ccc(COC(=O)C[C@H]2CCOc3ccccc32)cc1F ZINC000833097738 601730197 /nfs/dbraw/zinc/73/01/97/601730197.db2.gz RBEFMMOOTQTQRB-CYBMUJFWSA-N -1 0 344.338 3.524 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)NCC1(C(=O)[O-])CCCC1 ZINC000325894055 601731255 /nfs/dbraw/zinc/73/12/55/601731255.db2.gz UJAOFZZRBNNNPJ-UHFFFAOYSA-N -1 0 344.333 3.780 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1cc(C)c(F)cc1F ZINC000832869920 601733069 /nfs/dbraw/zinc/73/30/69/601733069.db2.gz USENJEWPOLTWCO-UHFFFAOYSA-N -1 0 326.320 3.698 20 0 EHADRM C[C@H](C(=O)N[C@H](C(=O)[O-])c1ccccc1F)c1cccc(Cl)c1 ZINC000678987336 601742095 /nfs/dbraw/zinc/74/20/95/601742095.db2.gz SRZMDRBBIQROMW-BONVTDFDSA-N -1 0 335.762 3.525 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CCCc1c[nH]c2ccccc12)C1CCCCC1 ZINC000392307618 601752936 /nfs/dbraw/zinc/75/29/36/601752936.db2.gz JTUQBSDEWOALGX-IBGZPJMESA-N -1 0 342.439 3.640 20 0 EHADRM CC[C@@H](NC(=O)C(CC)(CC)Cc1nc2ccccc2s1)C(=O)[O-] ZINC000577929264 601753408 /nfs/dbraw/zinc/75/34/08/601753408.db2.gz GGSWLKCCVMGILN-GFCCVEGCSA-N -1 0 348.468 3.625 20 0 EHADRM CC[C@H]1CCC[C@H]1NC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000829118251 601755536 /nfs/dbraw/zinc/75/55/36/601755536.db2.gz FVINAULETZIFCN-DZGCQCFKSA-N -1 0 336.457 3.705 20 0 EHADRM Cc1ccc(Cl)c(NC(=S)N2C[C@H](C)[C@@H](C(=O)[O-])C2)c1Cl ZINC000832935852 601765342 /nfs/dbraw/zinc/76/53/42/601765342.db2.gz ZRFWBHVEESBMKJ-IUCAKERBSA-N -1 0 347.267 3.651 20 0 EHADRM Cc1nn(Cc2ccc(C(F)(F)F)cc2)c(C)c1[C@@H](C)C(=O)[O-] ZINC000833017070 601779732 /nfs/dbraw/zinc/77/97/32/601779732.db2.gz VAZQVPGYRGCCMJ-SECBINFHSA-N -1 0 326.318 3.755 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1F ZINC000325238909 601780846 /nfs/dbraw/zinc/78/08/46/601780846.db2.gz QYPYCMUOFHUZBW-JTQLQIEISA-N -1 0 334.322 3.854 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000833288295 601781867 /nfs/dbraw/zinc/78/18/67/601781867.db2.gz KNEUQXDESIRNIA-CYBMUJFWSA-N -1 0 343.358 3.937 20 0 EHADRM COc1cccc([C@H](C)CC(=O)OCc2cc(C(=O)[O-])c(C)o2)c1 ZINC000832529016 601800282 /nfs/dbraw/zinc/80/02/82/601800282.db2.gz UXINXCNQGNMOBE-LLVKDONJSA-N -1 0 332.352 3.532 20 0 EHADRM Cc1cc(CCCC(=O)Oc2ccc(CC(=O)[O-])cc2)c(C)s1 ZINC000832881743 601800643 /nfs/dbraw/zinc/80/06/43/601800643.db2.gz LNZZVZHOEQAVTG-UHFFFAOYSA-N -1 0 332.421 3.920 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000832529058 601801374 /nfs/dbraw/zinc/80/13/74/601801374.db2.gz VHAQKLDYTQOCHL-JTQLQIEISA-N -1 0 349.333 3.804 20 0 EHADRM C[C@@H](C(=O)NC1CCC(C(=O)[O-])CC1)c1ccc2ccccc2c1 ZINC000237463110 601803081 /nfs/dbraw/zinc/80/30/81/601803081.db2.gz BPIYSVXZJUMCMS-MJJDPTRDSA-N -1 0 325.408 3.703 20 0 EHADRM CCN(C(=O)C[C@H](C)c1cccc(OC)c1)c1ccccc1C(=O)[O-] ZINC000829590938 601803959 /nfs/dbraw/zinc/80/39/59/601803959.db2.gz KCZZOUXTCQQQOA-AWEZNQCLSA-N -1 0 341.407 3.940 20 0 EHADRM COc1ccc(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])c(F)c1 ZINC000832179253 601807355 /nfs/dbraw/zinc/80/73/55/601807355.db2.gz YEKLJAIASFCXEN-UHFFFAOYSA-N -1 0 335.356 3.724 20 0 EHADRM O=C([O-])c1ccccc1NCc1nnc(-c2ccccc2Cl)o1 ZINC000833335320 601811922 /nfs/dbraw/zinc/81/19/22/601811922.db2.gz NTJJZZZDPLOPNV-UHFFFAOYSA-N -1 0 329.743 3.700 20 0 EHADRM CC[C@H](CNC(=O)c1ccccc1NC(=O)[O-])Oc1cccc(F)c1 ZINC000828884336 601813150 /nfs/dbraw/zinc/81/31/50/601813150.db2.gz VAYAATZOVYBITR-CYBMUJFWSA-N -1 0 346.358 3.503 20 0 EHADRM Cc1nn(C)c(Cl)c1CSCc1ccc(C(=O)[O-])c(F)c1 ZINC000833013855 601813312 /nfs/dbraw/zinc/81/33/12/601813312.db2.gz FZVKTBQSOBAIBV-UHFFFAOYSA-N -1 0 328.796 3.653 20 0 EHADRM Cc1ccc(C(C)C)cc1OCC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000539683101 601821040 /nfs/dbraw/zinc/82/10/40/601821040.db2.gz GZDIPAGQFFOKPP-UHFFFAOYSA-N -1 0 347.455 3.601 20 0 EHADRM CC[C@@](NCc1nc(C(C)(C)C)cs1)(C(=O)[O-])c1ccccc1 ZINC000828988851 601823873 /nfs/dbraw/zinc/82/38/73/601823873.db2.gz HKTBRNMGCTUIMI-SFHVURJKSA-N -1 0 332.469 3.920 20 0 EHADRM CCC[C@@H](Cc1ccccc1)NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000659397245 601826875 /nfs/dbraw/zinc/82/68/75/601826875.db2.gz XAUBLXQYSUFKFP-SFHVURJKSA-N -1 0 346.471 3.684 20 0 EHADRM C[C@@H]1CCC[C@H](NC(=O)CSCc2ccc(C(=O)[O-])s2)[C@H]1C ZINC000828240200 601846808 /nfs/dbraw/zinc/84/68/08/601846808.db2.gz SZULBCRTOGAKTD-MDZLAQPJSA-N -1 0 341.498 3.620 20 0 EHADRM COC(=O)c1ccc(CSCc2ccc(C(=O)[O-])s2)s1 ZINC000831385570 601847256 /nfs/dbraw/zinc/84/72/56/601847256.db2.gz YTGQRAQFXCCJAZ-UHFFFAOYSA-N -1 0 328.436 3.728 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(c2nc3ccccc3c(-c3ccccc3)n2)C1 ZINC000263434649 601864846 /nfs/dbraw/zinc/86/48/46/601864846.db2.gz UTHDXZBAJDARBN-HXUWFJFHSA-N -1 0 333.391 3.598 20 0 EHADRM C[C@H](NC(=O)NCc1cccc(C(=O)[O-])c1)C(C)(C)c1ccccc1 ZINC000827665516 601867038 /nfs/dbraw/zinc/86/70/38/601867038.db2.gz UIFJTDWCCCZUMG-AWEZNQCLSA-N -1 0 340.423 3.550 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)C2(c3ccc(F)cc3)CC2)cc1 ZINC000833263661 601871132 /nfs/dbraw/zinc/87/11/32/601871132.db2.gz PXIQAJJWCWYPSM-UHFFFAOYSA-N -1 0 346.379 3.640 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)CCc2ccc(F)cc2)cc1 ZINC000833264316 601874265 /nfs/dbraw/zinc/87/42/65/601874265.db2.gz MHBDLXYLJLNWDW-UHFFFAOYSA-N -1 0 334.368 3.541 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)c2ccc3ccccc3n2)cc1 ZINC000833264357 601874359 /nfs/dbraw/zinc/87/43/59/601874359.db2.gz NYYLELQJQYVWOJ-UHFFFAOYSA-N -1 0 339.372 3.631 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)c2cc(Cl)ccc2F)cc1 ZINC000833264104 601874387 /nfs/dbraw/zinc/87/43/87/601874387.db2.gz FOXXRTZUKSUJOI-UHFFFAOYSA-N -1 0 340.759 3.875 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)CSc2ccccc2)cc1 ZINC000833264493 601880526 /nfs/dbraw/zinc/88/05/26/601880526.db2.gz TUUDGNVUAWFYFG-UHFFFAOYSA-N -1 0 334.418 3.561 20 0 EHADRM CC1(CNC(=O)NCCc2ccc(NC(=O)[O-])cc2)CCCCC1 ZINC000828102016 601881131 /nfs/dbraw/zinc/88/11/31/601881131.db2.gz FNPQCEADKCJLQE-UHFFFAOYSA-N -1 0 333.432 3.589 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000392032379 601884659 /nfs/dbraw/zinc/88/46/59/601884659.db2.gz DKLGLDQNMHZGMB-UHFFFAOYSA-N -1 0 338.285 3.725 20 0 EHADRM CC(C)N(C(=O)CNc1ccc(F)c(NC(=O)[O-])c1)C1CCCC1 ZINC000826924811 601906701 /nfs/dbraw/zinc/90/67/01/601906701.db2.gz PFMFQHOATQMHFZ-UHFFFAOYSA-N -1 0 337.395 3.507 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2ccnc(Oc3ccccc3)c2)c1 ZINC000561501914 601918567 /nfs/dbraw/zinc/91/85/67/601918567.db2.gz SHIKBMNIGLXIPF-UHFFFAOYSA-N -1 0 348.358 3.502 20 0 EHADRM Cc1cccc(OCCCCC(=O)NCc2cccc(C(=O)[O-])c2)c1 ZINC000237709416 601919143 /nfs/dbraw/zinc/91/91/43/601919143.db2.gz OXDLLAYQRJTHRF-UHFFFAOYSA-N -1 0 341.407 3.559 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)[C@H]2C[C@H]2c2cccc3ccccc32)c1 ZINC000238064900 601925238 /nfs/dbraw/zinc/92/52/38/601925238.db2.gz OBUJZGTYXQOTOV-PMACEKPBSA-N -1 0 345.398 3.958 20 0 EHADRM Cc1cc2nc(NCc3cccc(C(=O)[O-])c3)c3ccccc3n2n1 ZINC000832906480 601934990 /nfs/dbraw/zinc/93/49/90/601934990.db2.gz HOQRRECOYXUYJH-UHFFFAOYSA-N -1 0 332.363 3.501 20 0 EHADRM O=C([O-])c1ccc2[nH]c3c(c2c1)CN(C(=O)C(F)=C1CCCC1)CC3 ZINC000833323978 601940840 /nfs/dbraw/zinc/94/08/40/601940840.db2.gz GVUHQZMUMWCRRX-UHFFFAOYSA-N -1 0 342.370 3.548 20 0 EHADRM Cc1ccc(Br)c(C(=O)Nc2ccc(CC(=O)[O-])cc2)c1 ZINC000161388953 601958727 /nfs/dbraw/zinc/95/87/27/601958727.db2.gz ZADULGSGXWHPAQ-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM O=C([O-])c1cc(CNC2(c3c(Cl)cccc3Cl)CC2)c[nH]1 ZINC000833296359 601977012 /nfs/dbraw/zinc/97/70/12/601977012.db2.gz BDONOKXBXBFGRY-UHFFFAOYSA-N -1 0 325.195 3.799 20 0 EHADRM COc1ccccc1C(C)=CC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739954706 601978727 /nfs/dbraw/zinc/97/87/27/601978727.db2.gz KQJBLROYHGPCKJ-LUAWRHEFSA-N -1 0 344.342 3.966 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)Nc2ccc(-c3ccccc3)cc2F)C1 ZINC000828008629 601987085 /nfs/dbraw/zinc/98/70/85/601987085.db2.gz ZXMXVBNJZKFIFU-IBGZPJMESA-N -1 0 342.370 3.821 20 0 EHADRM O=C([O-])c1ccc(COC(=O)Cc2cccc3ccccc32)s1 ZINC000833118997 601997088 /nfs/dbraw/zinc/99/70/88/601997088.db2.gz SDOGTVDDUJJGPJ-UHFFFAOYSA-N -1 0 326.373 3.885 20 0 EHADRM O=C([O-])c1ccc(COC(=O)COc2cccc3ccccc32)s1 ZINC000833115006 601997339 /nfs/dbraw/zinc/99/73/39/601997339.db2.gz SOQDGXQUCITVPC-UHFFFAOYSA-N -1 0 342.372 3.722 20 0 EHADRM CCC(CC)CNC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000828858939 602002054 /nfs/dbraw/zinc/00/20/54/602002054.db2.gz IHTQMGMRINXJOG-UHFFFAOYSA-N -1 0 332.322 3.961 20 0 EHADRM O=C([O-])c1ccc(COC(=O)Cc2ccc(-n3cccc3)cc2)s1 ZINC000833116750 602002873 /nfs/dbraw/zinc/00/28/73/602002873.db2.gz DFFASKIKDBNWKO-UHFFFAOYSA-N -1 0 341.388 3.523 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000236737576 602005786 /nfs/dbraw/zinc/00/57/86/602005786.db2.gz GUNWPEXXGYWCOD-SFHVURJKSA-N -1 0 333.453 3.682 20 0 EHADRM COc1ccccc1CC(C)(C)C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000832602708 602009775 /nfs/dbraw/zinc/00/97/75/602009775.db2.gz VTVZYGXEOATGIX-UHFFFAOYSA-N -1 0 348.420 3.767 20 0 EHADRM O=C([O-])Cc1cccc(Nc2ncnc3sc4c(c32)CCC4)c1 ZINC000738630246 602011771 /nfs/dbraw/zinc/01/17/71/602011771.db2.gz HVVCDYYKYMULAV-UHFFFAOYSA-N -1 0 325.393 3.551 20 0 EHADRM COc1cccc([C@H](C)CC(=O)OCc2ccc(C(=O)[O-])s2)c1 ZINC000832533303 602012857 /nfs/dbraw/zinc/01/28/57/602012857.db2.gz KZEPXWQOBQLDDX-LLVKDONJSA-N -1 0 334.393 3.692 20 0 EHADRM CCOCCC1(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)CCCC1 ZINC000829989364 602017281 /nfs/dbraw/zinc/01/72/81/602017281.db2.gz AGEIDNMOBJOWKA-HNNXBMFYSA-N -1 0 345.439 3.579 20 0 EHADRM CCOCCC1(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CCCC1 ZINC000262060495 602018181 /nfs/dbraw/zinc/01/81/81/602018181.db2.gz BCKUOCQQZMUHJS-UHFFFAOYSA-N -1 0 347.455 3.974 20 0 EHADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCCN1C(=O)c1cc2ccccc2s1 ZINC000739000249 602018939 /nfs/dbraw/zinc/01/89/39/602018939.db2.gz HJCSFEKWGXTNPU-YPMHNXCESA-N -1 0 332.425 3.552 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)CNc2ccccc2Cl)c1 ZINC000740706404 602026341 /nfs/dbraw/zinc/02/63/41/602026341.db2.gz KARDGKPZVDCCMI-UHFFFAOYSA-N -1 0 337.738 3.620 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)c1cccc(Cl)c1F ZINC000825942059 602035796 /nfs/dbraw/zinc/03/57/96/602035796.db2.gz KCZZSZZTHFZSLH-UHFFFAOYSA-N -1 0 336.702 3.599 20 0 EHADRM COC[C@H](OC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1)C(C)C ZINC000831660715 602038799 /nfs/dbraw/zinc/03/87/99/602038799.db2.gz PBVHAKZQCBNUKU-LBPRGKRZSA-N -1 0 349.305 3.623 20 0 EHADRM O=C([O-])Nc1cc(C(=O)OCCOC2CCC2)cc(C(F)(F)F)c1 ZINC000833283852 602041350 /nfs/dbraw/zinc/04/13/50/602041350.db2.gz NNPHZZHMJPKGNY-UHFFFAOYSA-N -1 0 347.289 3.521 20 0 EHADRM C[C@H](CCNC(=O)Nc1cccc(-c2cccs2)c1)NC(=O)[O-] ZINC000738899326 602051025 /nfs/dbraw/zinc/05/10/25/602051025.db2.gz BUGNXDXQFZNAJV-LLVKDONJSA-N -1 0 333.413 3.583 20 0 EHADRM CC(C)c1cc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)c(O)c(C(C)C)c1 ZINC000263447203 602052671 /nfs/dbraw/zinc/05/26/71/602052671.db2.gz RHJXTGIUNFJGFP-IBGZPJMESA-N -1 0 333.428 3.576 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)N[C@H]1CCc2cc(F)ccc21 ZINC000833225371 602063641 /nfs/dbraw/zinc/06/36/41/602063641.db2.gz SIGLXMSVTPZSLE-INIZCTEOSA-N -1 0 336.407 3.537 20 0 EHADRM Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCCCCCCCC(=O)[O-] ZINC000832962279 602063910 /nfs/dbraw/zinc/06/39/10/602063910.db2.gz SABFKTHAWOYDPV-KRWDZBQOSA-N -1 0 332.444 3.707 20 0 EHADRM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)NCCCCCCCC(=O)[O-] ZINC000828516865 602069935 /nfs/dbraw/zinc/06/99/35/602069935.db2.gz VRTXQNNIJGRJMU-KDOFPFPSSA-N -1 0 332.444 3.644 20 0 EHADRM COc1ccc(CCC(=O)Nc2cccc(CC(=O)[O-])c2)cc1Cl ZINC000325673820 602070400 /nfs/dbraw/zinc/07/04/00/602070400.db2.gz GUDOCYGGUSLFJD-UHFFFAOYSA-N -1 0 347.798 3.547 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000345868365 602072867 /nfs/dbraw/zinc/07/28/67/602072867.db2.gz LJSBMZXLEALNSE-INIZCTEOSA-N -1 0 329.421 3.823 20 0 EHADRM C[C@H](NC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1cccc(Cl)c1Cl ZINC000263261093 602082114 /nfs/dbraw/zinc/08/21/14/602082114.db2.gz QHYDDOAWIYLSQZ-BJOHPYRUSA-N -1 0 345.226 3.561 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N[C@H](CCCc1ccccc1)c1ccccc1 ZINC000827270637 602083845 /nfs/dbraw/zinc/08/38/45/602083845.db2.gz BTWINIUAHQXGFK-QFBILLFUSA-N -1 0 339.435 3.978 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Nc2ccccc2OC(F)F)c1 ZINC000325462542 602085819 /nfs/dbraw/zinc/08/58/19/602085819.db2.gz AOCBAZNYNWAOHJ-UHFFFAOYSA-N -1 0 336.294 3.559 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)N1CCC[C@H]1c1ccccc1 ZINC000833224584 602093726 /nfs/dbraw/zinc/09/37/26/602093726.db2.gz CNIDSKUOBCVQIE-KRWDZBQOSA-N -1 0 332.444 3.958 20 0 EHADRM CC(C)Oc1ccc(F)cc1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737644451 602099996 /nfs/dbraw/zinc/09/99/96/602099996.db2.gz VKRFYQZITYCNGD-UHFFFAOYSA-N -1 0 346.358 3.884 20 0 EHADRM C[C@@H](SCc1ccc(C(=O)[O-])cc1)c1cn(-c2ccccc2)nn1 ZINC000827907953 602100014 /nfs/dbraw/zinc/10/00/14/602100014.db2.gz DAPNEEJEGPOJSM-CYBMUJFWSA-N -1 0 339.420 3.960 20 0 EHADRM C[C@H](SCc1cccc(C(=O)[O-])c1)c1cn(-c2ccccc2)nn1 ZINC000827909263 602100121 /nfs/dbraw/zinc/10/01/21/602100121.db2.gz VNHZZZAHLZYPKT-ZDUSSCGKSA-N -1 0 339.420 3.960 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cccc(Cl)c1F)c1ccccc1F ZINC000833351912 602101060 /nfs/dbraw/zinc/10/10/60/602101060.db2.gz QHGSCEUQAWAVNH-ZDUSSCGKSA-N -1 0 326.682 3.601 20 0 EHADRM CSCCc1ccc(NC(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000738147062 602101298 /nfs/dbraw/zinc/10/12/98/602101298.db2.gz QOJOQQUBDHGBDU-UHFFFAOYSA-N -1 0 344.436 3.863 20 0 EHADRM CCc1nc2cc(NC(=O)Nc3cccc(CC(=O)[O-])c3)ccc2o1 ZINC000737911403 602104015 /nfs/dbraw/zinc/10/40/15/602104015.db2.gz KXNDCFKSVPRVMS-UHFFFAOYSA-N -1 0 339.351 3.661 20 0 EHADRM CCc1oc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)cc1C ZINC000830355595 602106443 /nfs/dbraw/zinc/10/64/43/602106443.db2.gz RBIHQLIEQWXKFO-UHFFFAOYSA-N -1 0 342.395 3.701 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)c2ccc3sccc3c2)cc1 ZINC000386200481 602107371 /nfs/dbraw/zinc/10/73/71/602107371.db2.gz DYUULNJGUACOPC-UHFFFAOYSA-N -1 0 325.389 3.572 20 0 EHADRM CCC[C@@](C)(NC(=O)[O-])C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000739289309 602107393 /nfs/dbraw/zinc/10/73/93/602107393.db2.gz LHRWXQHSXDSGMX-MEBBXXQBSA-N -1 0 346.349 3.709 20 0 EHADRM CCCCN1C(=O)N[C@H](c2cnc(C3CCC3)s2)C(C(=O)[O-])=C1C ZINC000829389894 602109352 /nfs/dbraw/zinc/10/93/52/602109352.db2.gz XMQLXMNUIDTBCI-CQSZACIVSA-N -1 0 349.456 3.636 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1 ZINC000827309775 602109623 /nfs/dbraw/zinc/10/96/23/602109623.db2.gz DGIMFUPVEUSDMG-GFCCVEGCSA-N -1 0 336.407 3.644 20 0 EHADRM CCC[C@](C)(NC(=O)[O-])C(=O)N(CC)Cc1ccc(Cl)s1 ZINC000739288762 602114518 /nfs/dbraw/zinc/11/45/18/602114518.db2.gz GVHGREDNNSTOQL-AWEZNQCLSA-N -1 0 332.853 3.576 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2CC3(CCC3)c3c2cccc3F)c1 ZINC000740026767 602114646 /nfs/dbraw/zinc/11/46/46/602114646.db2.gz BYQIMGAZBAXXDG-UHFFFAOYSA-N -1 0 340.354 3.998 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N([C@@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000827247057 602118881 /nfs/dbraw/zinc/11/88/81/602118881.db2.gz ICEOPIVKMPGOOD-MNOVXSKESA-N -1 0 343.345 3.868 20 0 EHADRM CCc1oc(C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)cc1C ZINC000431431200 602120437 /nfs/dbraw/zinc/12/04/37/602120437.db2.gz OFGOBYKZRIAOOM-UHFFFAOYSA-N -1 0 335.787 3.531 20 0 EHADRM O=C([O-])c1ccccc1NCc1nnc(-c2cccc(Cl)c2)o1 ZINC000833334376 602127516 /nfs/dbraw/zinc/12/75/16/602127516.db2.gz DGAGXRIORZGNLL-UHFFFAOYSA-N -1 0 329.743 3.700 20 0 EHADRM COc1ccc(Sc2ccc(NC(=O)[C@@H](C)CC(=O)[O-])cc2)cc1 ZINC000832476006 602147193 /nfs/dbraw/zinc/14/71/93/602147193.db2.gz BOMTXHYSCFAALK-LBPRGKRZSA-N -1 0 345.420 3.896 20 0 EHADRM CN(C(=O)c1ccc2sccc2c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000776620048 602149309 /nfs/dbraw/zinc/14/93/09/602149309.db2.gz CVCLYZNBXLMDQL-MRXNPFEDSA-N -1 0 325.389 3.799 20 0 EHADRM O=C([O-])c1ccoc1Cn1ccc(-c2ccc(Br)cc2)n1 ZINC000833336381 602161390 /nfs/dbraw/zinc/16/13/90/602161390.db2.gz PCHBODJZXIVQJS-UHFFFAOYSA-N -1 0 347.168 3.652 20 0 EHADRM CCS[C@@H](C)c1noc(CNc2ccc(F)c(NC(=O)[O-])c2)n1 ZINC000830149051 602161860 /nfs/dbraw/zinc/16/18/60/602161860.db2.gz COWLDZARRXVSMA-QMMMGPOBSA-N -1 0 340.380 3.725 20 0 EHADRM CSc1cc(C(=O)N2C[C@H](C(=O)[O-])[C@H](C)C2)c(Cl)cc1Cl ZINC000832770806 602169299 /nfs/dbraw/zinc/16/92/99/602169299.db2.gz HVETYRNTBPZZAD-APPZFPTMSA-N -1 0 348.251 3.508 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)Cc1ccc(Br)cc1 ZINC000740713952 602178760 /nfs/dbraw/zinc/17/87/60/602178760.db2.gz FUCWWMDSRXCSDV-UHFFFAOYSA-N -1 0 349.184 3.720 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)COc1ccc(F)cc1Cl ZINC000740713946 602178762 /nfs/dbraw/zinc/17/87/62/602178762.db2.gz FSUJYAJCJYDAEW-UHFFFAOYSA-N -1 0 338.722 3.587 20 0 EHADRM COc1cc(NC(=O)c2ccc(Cl)cc2C)c(C(=O)[O-])cc1OC ZINC000325972883 602184161 /nfs/dbraw/zinc/18/41/61/602184161.db2.gz WRWWEMMXKZYRJX-UHFFFAOYSA-N -1 0 349.770 3.616 20 0 EHADRM O=C([O-])c1csc(NC(=O)Cc2cc(Cl)ccc2Cl)c1 ZINC000191372889 602184548 /nfs/dbraw/zinc/18/45/48/602184548.db2.gz OYLZFQGBIYQJPO-UHFFFAOYSA-N -1 0 330.192 3.934 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1ccc(-c2ccco2)s1 ZINC000830819520 602185589 /nfs/dbraw/zinc/18/55/89/602185589.db2.gz SLLXJEUEVDTWTG-UHFFFAOYSA-N -1 0 341.388 3.979 20 0 EHADRM COc1ccc(S[C@@H](C)C(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000570117062 602186063 /nfs/dbraw/zinc/18/60/63/602186063.db2.gz PZKMZVBMJPZMNG-VIFPVBQESA-N -1 0 337.422 3.574 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000832958929 602186987 /nfs/dbraw/zinc/18/69/87/602186987.db2.gz WBUIPSUZQGLFEI-UHFFFAOYSA-N -1 0 338.363 3.500 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2cccc(-c3cscn3)c2)c1 ZINC000833342694 602186990 /nfs/dbraw/zinc/18/69/90/602186990.db2.gz MACSTRLAFGKVIX-UHFFFAOYSA-N -1 0 330.390 3.822 20 0 EHADRM Cc1nc(-c2ccccc2)sc1[C@@H](C)OC(=O)[C@H](C)CC(=O)[O-] ZINC000832992202 602192943 /nfs/dbraw/zinc/19/29/43/602192943.db2.gz BLJXYTLEXDIBIJ-ZYHUDNBSSA-N -1 0 333.409 3.834 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N1CCc2cc(Cl)cc(Cl)c2[C@@H]1C ZINC000827262263 602196968 /nfs/dbraw/zinc/19/69/68/602196968.db2.gz HGYUUSRCCFPJMP-IUCAKERBSA-N -1 0 330.211 3.550 20 0 EHADRM Cc1ccc(SC2(CNC(=O)[C@H](C)CC(=O)[O-])CCCC2)cc1 ZINC000832957234 602197409 /nfs/dbraw/zinc/19/74/09/602197409.db2.gz GOLDDNNAKXMGRO-CQSZACIVSA-N -1 0 335.469 3.627 20 0 EHADRM CCC[C@H](C)NC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000829215974 602221203 /nfs/dbraw/zinc/22/12/03/602221203.db2.gz GQLUOPKBSHAMOX-LBPRGKRZSA-N -1 0 330.384 3.613 20 0 EHADRM CCCN(CCC)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000829491972 602224160 /nfs/dbraw/zinc/22/41/60/602224160.db2.gz LDMGYQSNMZHWRK-UHFFFAOYSA-N -1 0 344.411 3.957 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=S)Nc3ccccc3F)ccc21 ZINC000740529139 602235286 /nfs/dbraw/zinc/23/52/86/602235286.db2.gz IFSZQOBEEZJDAC-UHFFFAOYSA-N -1 0 331.372 3.675 20 0 EHADRM Cc1nc2ccccc2cc1C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000740231657 602240163 /nfs/dbraw/zinc/24/01/63/602240163.db2.gz OIOMJWRANXKELQ-UHFFFAOYSA-N -1 0 347.374 3.836 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)CCc3cccc(Cl)c3)ccc21 ZINC000740358713 602240770 /nfs/dbraw/zinc/24/07/70/602240770.db2.gz CEGHWKYOISYZDJ-UHFFFAOYSA-N -1 0 344.798 3.952 20 0 EHADRM O=C(/C=C/Sc1ccccc1)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000740350278 602241903 /nfs/dbraw/zinc/24/19/03/602241903.db2.gz PCCIFLOMQKYNQG-PKNBQFBNSA-N -1 0 340.404 3.972 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)CCc3c[nH]c4ccccc34)ccc21 ZINC000740360844 602242609 /nfs/dbraw/zinc/24/26/09/602242609.db2.gz ZGZNWBTYJBRUQT-UHFFFAOYSA-N -1 0 349.390 3.780 20 0 EHADRM C[C@@H](NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000237572292 602247624 /nfs/dbraw/zinc/24/76/24/602247624.db2.gz PTFJYXBONIAJOP-SNVBAGLBSA-N -1 0 337.297 3.575 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1ccc(-c3ccco3)s1)C2 ZINC000833325006 602249977 /nfs/dbraw/zinc/24/99/77/602249977.db2.gz KITWQAPDZXQSQV-UHFFFAOYSA-N -1 0 339.372 3.862 20 0 EHADRM Cc1nc(CC(C)C)c(NC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)s1 ZINC000832999359 602254606 /nfs/dbraw/zinc/25/46/06/602254606.db2.gz UUHVDOHKXXSZQD-UHFFFAOYSA-N -1 0 335.429 3.545 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12)C1CC1 ZINC000767068522 602258155 /nfs/dbraw/zinc/25/81/55/602258155.db2.gz LXHVTKSIFMRDMR-GFCCVEGCSA-N -1 0 327.380 3.678 20 0 EHADRM CCCN(Cc1ccccc1)C(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000739358296 602258740 /nfs/dbraw/zinc/25/87/40/602258740.db2.gz BKYCZBNJLQNLFP-UHFFFAOYSA-N -1 0 326.396 3.507 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)CC2CCCC2)c2ccccc12 ZINC000237956041 602259232 /nfs/dbraw/zinc/25/92/32/602259232.db2.gz DEIAKOIMVNLJSG-UHFFFAOYSA-N -1 0 327.380 3.822 20 0 EHADRM CCc1ccc([C@@H](C)NC(=O)c2ccc(CNC(=O)[O-])cc2)cc1 ZINC000739542103 602259715 /nfs/dbraw/zinc/25/97/15/602259715.db2.gz HWLZAPJBTVHDKJ-CYBMUJFWSA-N -1 0 326.396 3.508 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)O[C@@H](c2ncccn2)C2CCCC2)c1 ZINC000833292003 602268190 /nfs/dbraw/zinc/26/81/90/602268190.db2.gz YJDOXKXEYWCZND-OAHLLOKOSA-N -1 0 341.367 3.655 20 0 EHADRM CCC(=O)c1ccc(C(=O)OCc2cc(C(=O)[O-])sc2C)cc1 ZINC000828573777 602270739 /nfs/dbraw/zinc/27/07/39/602270739.db2.gz AWOPIJOYYLMXBW-UHFFFAOYSA-N -1 0 332.377 3.704 20 0 EHADRM C[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739100491 602277510 /nfs/dbraw/zinc/27/75/10/602277510.db2.gz QSKXVOUIQSBFDF-IUODEOHRSA-N -1 0 331.416 3.770 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)NCc3cccc(Cl)c3)ccc21 ZINC000740448489 602280654 /nfs/dbraw/zinc/28/06/54/602280654.db2.gz NAWYQVIVLNYUDA-UHFFFAOYSA-N -1 0 345.786 3.702 20 0 EHADRM Cc1nc(CC(C)C)c(NC(=O)NCc2cccc(C(=O)[O-])c2)s1 ZINC000669501070 602282908 /nfs/dbraw/zinc/28/29/08/602282908.db2.gz DJQPCURGNDJZCQ-UHFFFAOYSA-N -1 0 347.440 3.670 20 0 EHADRM CC(C)[C@H](NC(=O)c1ccc(CNC(=O)[O-])cc1)c1ccccc1 ZINC000738796968 602283828 /nfs/dbraw/zinc/28/38/28/602283828.db2.gz IOOTVCKLZDAQSJ-KRWDZBQOSA-N -1 0 326.396 3.581 20 0 EHADRM CC(C)(C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])c1ccc(F)cc1 ZINC000738663124 602294459 /nfs/dbraw/zinc/29/44/59/602294459.db2.gz ZCVLXZHBKDKHDG-UHFFFAOYSA-N -1 0 342.370 3.783 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)C[C@H]2CC[C@@H](C)C2)cc1 ZINC000832777564 602311811 /nfs/dbraw/zinc/31/18/11/602311811.db2.gz SFGHBUYQOLUIGM-WWGRRREGSA-N -1 0 335.469 3.867 20 0 EHADRM Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)[C@H](C)CC(=O)[O-] ZINC000832992589 602323668 /nfs/dbraw/zinc/32/36/68/602323668.db2.gz NKMYZUOOQJJKAU-DGCLKSJQSA-N -1 0 346.452 3.749 20 0 EHADRM Cc1nc2sccn2c1CN(C)[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000833007482 602325136 /nfs/dbraw/zinc/32/51/36/602325136.db2.gz TVWZLULMZQUAJH-AWEZNQCLSA-N -1 0 349.843 3.615 20 0 EHADRM CC[C@H](Cc1ccccc1)N(CC)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000828901159 602329540 /nfs/dbraw/zinc/32/95/40/602329540.db2.gz QGWDJKRPQWDMQF-MRXNPFEDSA-N -1 0 342.439 3.813 20 0 EHADRM Cc1ccc(CCCCC(=O)N(C)c2ncc(C(=O)[O-])s2)cc1 ZINC000832929761 602334429 /nfs/dbraw/zinc/33/44/29/602334429.db2.gz DQVSXFAZLXYEIM-UHFFFAOYSA-N -1 0 332.425 3.526 20 0 EHADRM CN(C(=O)C1CCC(c2ccccc2)CC1)c1ncc(C(=O)[O-])s1 ZINC000830456870 602337320 /nfs/dbraw/zinc/33/73/20/602337320.db2.gz IIVNAZPKLDOGHE-UHFFFAOYSA-N -1 0 344.436 3.778 20 0 EHADRM C[C@H](NC(=O)[C@H](NC(=O)[O-])c1ccccc1)c1ccc(Cl)cc1 ZINC000739022164 602341933 /nfs/dbraw/zinc/34/19/33/602341933.db2.gz SWNUHQFFXZPWOG-XHDPSFHLSA-N -1 0 332.787 3.526 20 0 EHADRM O=C([O-])NCCCNC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000740650929 602349679 /nfs/dbraw/zinc/34/96/79/602349679.db2.gz BKPQPQAUZAKMGA-UHFFFAOYSA-N -1 0 347.223 3.596 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)cc1F ZINC000776645753 602353863 /nfs/dbraw/zinc/35/38/63/602353863.db2.gz AZNVVCKTQFQSIA-RYUDHWBXSA-N -1 0 335.281 3.544 20 0 EHADRM CCc1ccc(C(=O)CCC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000799243466 602353910 /nfs/dbraw/zinc/35/39/10/602353910.db2.gz BIQMBNDAKGKMBJ-UHFFFAOYSA-N -1 0 343.354 3.688 20 0 EHADRM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000830819593 602354959 /nfs/dbraw/zinc/35/49/59/602354959.db2.gz ZGVQIGUTFXOROE-UHFFFAOYSA-N -1 0 343.427 3.685 20 0 EHADRM CC(C)[C@H](CC(=O)N1CCC(CN(C)C(=O)[O-])CC1)c1ccccc1 ZINC000738776144 602364275 /nfs/dbraw/zinc/36/42/75/602364275.db2.gz UNIUYHBJFBHQNE-SFHVURJKSA-N -1 0 346.471 3.665 20 0 EHADRM CCCN(Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000383594893 602372574 /nfs/dbraw/zinc/37/25/74/602372574.db2.gz SLSDOZGCNDWQSE-UHFFFAOYSA-N -1 0 330.359 3.968 20 0 EHADRM CC(C)N(CCC(=O)N(Cc1ccco1)Cc1ccccc1)C(=O)[O-] ZINC000738838583 602374173 /nfs/dbraw/zinc/37/41/73/602374173.db2.gz PDRJTTRMGPKDQV-UHFFFAOYSA-N -1 0 344.411 3.587 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccccc1F ZINC000826586174 602376914 /nfs/dbraw/zinc/37/69/14/602376914.db2.gz YQEVTBHOFQJQDZ-UHFFFAOYSA-N -1 0 348.349 3.762 20 0 EHADRM C[C@@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000828528733 602379628 /nfs/dbraw/zinc/37/96/28/602379628.db2.gz ZYBVBIKYSQAPKA-SNVBAGLBSA-N -1 0 346.333 3.814 20 0 EHADRM CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000830149625 602381389 /nfs/dbraw/zinc/38/13/89/602381389.db2.gz JEHARAQKUOXBSK-NEPJUHHUSA-N -1 0 340.420 3.662 20 0 EHADRM Cc1ccc([C@@H](C)N(C)C(=O)C2CCC(NC(=O)[O-])CC2)c(C)c1 ZINC000740109974 602381609 /nfs/dbraw/zinc/38/16/09/602381609.db2.gz LCMAFZFTOIPQPY-QQFBHYJXSA-N -1 0 332.444 3.649 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCC[C@]3(CC=CCC3)C2)cc1F ZINC000833320542 602385125 /nfs/dbraw/zinc/38/51/25/602385125.db2.gz YFCSRLOXFUFPLO-GOSISDBHSA-N -1 0 332.375 3.878 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)o1 ZINC000828200991 602386845 /nfs/dbraw/zinc/38/68/45/602386845.db2.gz MWZCEDRRAQXGNY-TVQRCGJNSA-N -1 0 332.331 3.562 20 0 EHADRM O=C([O-])CN(C(=O)[C@H]1C[C@H]1c1cccc2ccccc21)C1CCCC1 ZINC000833241971 602399642 /nfs/dbraw/zinc/39/96/42/602399642.db2.gz NOMYPIVTSSAHCM-OALUTQOASA-N -1 0 337.419 3.799 20 0 EHADRM Cc1ccc2cc(-c3nc([C@H](CC(C)C)NC(=O)[O-])no3)[nH]c2c1 ZINC000740152733 602408008 /nfs/dbraw/zinc/40/80/08/602408008.db2.gz GWMHBYMZCXWUFR-ZDUSSCGKSA-N -1 0 328.372 3.881 20 0 EHADRM COc1ccccc1/C(C)=C\c1nc([C@H](CC(C)C)NC(=O)[O-])no1 ZINC000739954014 602408139 /nfs/dbraw/zinc/40/81/39/602408139.db2.gz FVPWSFPONOBZKQ-HCYCVZQXSA-N -1 0 345.399 3.994 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(Cc2cn(C)c3ccccc23)n1 ZINC000738825941 602408140 /nfs/dbraw/zinc/40/81/40/602408140.db2.gz ZZMCMIQAPSNDQX-AWEZNQCLSA-N -1 0 342.399 3.507 20 0 EHADRM CC(C)c1ccc(CCC(=O)N2CCC([C@H](C)NC(=O)[O-])CC2)cc1 ZINC000738882590 602408210 /nfs/dbraw/zinc/40/82/10/602408210.db2.gz LWHIKDOWABWZDM-HNNXBMFYSA-N -1 0 346.471 3.637 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(-c2ccc(Cl)cc2F)n1 ZINC000738817008 602408968 /nfs/dbraw/zinc/40/89/68/602408968.db2.gz NTBCKZFJAGXWTD-NSHDSACASA-N -1 0 327.743 3.884 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(-c2csc(-c3ccoc3)n2)n1 ZINC000738816545 602409580 /nfs/dbraw/zinc/40/95/80/602409580.db2.gz MCNVBKOPSJJOTJ-SNVBAGLBSA-N -1 0 348.384 3.808 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(CCc2ccc(Cl)cc2)n1 ZINC000738824599 602409722 /nfs/dbraw/zinc/40/97/22/602409722.db2.gz RFFWLEVTVFZZKX-ZDUSSCGKSA-N -1 0 337.807 3.863 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(C[C@@H](C)c2ccc(F)cc2)n1 ZINC000738817962 602409782 /nfs/dbraw/zinc/40/97/82/602409782.db2.gz WDECVQXUTPKDMZ-RISCZKNCSA-N -1 0 335.379 3.910 20 0 EHADRM Cc1cc2ccccc2n1Cc1nc([C@H](CC(C)C)NC(=O)[O-])no1 ZINC000740098623 602410043 /nfs/dbraw/zinc/41/00/43/602410043.db2.gz ZWNYPQNYJXLGRH-AWEZNQCLSA-N -1 0 342.399 3.736 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(-c2cccc(OC(F)F)c2)n1 ZINC000738816872 602410355 /nfs/dbraw/zinc/41/03/55/602410355.db2.gz NBMVYMDHSAYYTN-LLVKDONJSA-N -1 0 341.314 3.693 20 0 EHADRM CCOc1ccc(C(C)=O)cc1COc1cccc(CNC(=O)[O-])c1 ZINC000739498136 602425607 /nfs/dbraw/zinc/42/56/07/602425607.db2.gz QRGGAUUCCHABMY-UHFFFAOYSA-N -1 0 343.379 3.635 20 0 EHADRM CN(CCCc1ccccc1)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739683655 602450550 /nfs/dbraw/zinc/45/05/50/602450550.db2.gz BFSWZPSRMUXPTB-UHFFFAOYSA-N -1 0 341.411 3.551 20 0 EHADRM CN(C(=O)Nc1cccc(CNC(=O)[O-])c1)[C@@H]1CCc2ccccc21 ZINC000739574277 602452548 /nfs/dbraw/zinc/45/25/48/602452548.db2.gz DVQPTUANPLRMPA-QGZVFWFLSA-N -1 0 339.395 3.605 20 0 EHADRM COc1cc(C)ccc1OC(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000739856578 602455609 /nfs/dbraw/zinc/45/56/09/602455609.db2.gz MHGMMMYIUDDTHW-HNNXBMFYSA-N -1 0 343.379 3.698 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N[C@@H]2CCCc3ccccc32)ccc1F ZINC000740696486 602481286 /nfs/dbraw/zinc/48/12/86/602481286.db2.gz RNZUDNRYVAQAFM-OAHLLOKOSA-N -1 0 328.343 3.723 20 0 EHADRM CC[C@H](NC(=O)c1ccc(F)c(NC(=O)[O-])c1)c1ccc(OC)cc1 ZINC000739273556 602481560 /nfs/dbraw/zinc/48/15/60/602481560.db2.gz UMALMZBZFRQDNU-HNNXBMFYSA-N -1 0 346.358 3.805 20 0 EHADRM CC(C)(C)c1csc(NC(=O)c2ccc(F)c(NC(=O)[O-])c2)n1 ZINC000738727049 602481701 /nfs/dbraw/zinc/48/17/01/602481701.db2.gz DPYHHUBMNZGCIJ-UHFFFAOYSA-N -1 0 337.376 3.922 20 0 EHADRM O=C([O-])Nc1cc(C(=O)NC[C@H]2CCCc3ccccc32)ccc1F ZINC000740694834 602483650 /nfs/dbraw/zinc/48/36/50/602483650.db2.gz BDNPGDOKBOXJJT-CQSZACIVSA-N -1 0 342.370 3.766 20 0 EHADRM CCN(Cc1ccccc1C)C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739444994 602483991 /nfs/dbraw/zinc/48/39/91/602483991.db2.gz RBJFJLQWTDUPIC-UHFFFAOYSA-N -1 0 330.359 3.886 20 0 EHADRM CC(C)(CNC(=O)[O-])NC(=O)c1cc(-c2ccccc2)ccc1Cl ZINC000738749744 602496225 /nfs/dbraw/zinc/49/62/25/602496225.db2.gz SOJNILMLUFYQIE-UHFFFAOYSA-N -1 0 346.814 3.783 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)ccc1F ZINC000740695250 602496327 /nfs/dbraw/zinc/49/63/27/602496327.db2.gz GURJKJZWUHLHOP-NXEZZACHSA-N -1 0 348.296 3.767 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)ccc1F ZINC000740697158 602506017 /nfs/dbraw/zinc/50/60/17/602506017.db2.gz GCMLFMMCYWKKDK-UHFFFAOYSA-N -1 0 340.314 3.558 20 0 EHADRM C[C@H]1CCCC[C@]1(CNC(=O)[O-])NC(=O)c1ccc(C(F)F)cc1 ZINC000739097635 602509864 /nfs/dbraw/zinc/50/98/64/602509864.db2.gz GFJAXNMUZCWUNX-APPDUMDISA-N -1 0 340.370 3.571 20 0 EHADRM Cc1csc(-c2ccc(NC(=O)[C@H]3CCCCN3C(=O)[O-])cc2)n1 ZINC000740201201 602511241 /nfs/dbraw/zinc/51/12/41/602511241.db2.gz QTDCGJWPHFQBKA-CQSZACIVSA-N -1 0 345.424 3.590 20 0 EHADRM CC(C)c1ccc(C(C)(C)NC(=O)C2CCN(C(=O)[O-])CC2)cc1 ZINC000737652971 602519897 /nfs/dbraw/zinc/51/98/97/602519897.db2.gz WNQVHNVANFCKKT-UHFFFAOYSA-N -1 0 332.444 3.551 20 0 EHADRM Cc1cccnc1CNC(=O)c1cc2ccccc2cc1NC(=O)[O-] ZINC000740193514 602520531 /nfs/dbraw/zinc/52/05/31/602520531.db2.gz MOEKNTQDIIAYHY-UHFFFAOYSA-N -1 0 335.363 3.563 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC000738662890 602522107 /nfs/dbraw/zinc/52/21/07/602522107.db2.gz YVJXLQFNXRQKMK-CQSZACIVSA-N -1 0 328.343 3.545 20 0 EHADRM CCN(C(=O)NCC[C@H](C)NC(=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000739379470 602556349 /nfs/dbraw/zinc/55/63/49/602556349.db2.gz CBNCCEPWKZMMRV-QWHCGFSZSA-N -1 0 347.415 3.572 20 0 EHADRM CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000739281541 602562837 /nfs/dbraw/zinc/56/28/37/602562837.db2.gz XIKOJCOJBOGGLW-HNNXBMFYSA-N -1 0 344.436 3.665 20 0 EHADRM CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000739281542 602562880 /nfs/dbraw/zinc/56/28/80/602562880.db2.gz XIKOJCOJBOGGLW-OAHLLOKOSA-N -1 0 344.436 3.665 20 0 EHADRM COc1ccc([C@@H](C)C(=O)Nc2cccc(CN(C)C(=O)[O-])c2)cc1 ZINC000739896997 602567886 /nfs/dbraw/zinc/56/78/86/602567886.db2.gz PLQJMGMZKXSKQA-CYBMUJFWSA-N -1 0 342.395 3.547 20 0 EHADRM CCOC(=O)Nc1ccc(OC(=O)c2ccc(NC(=O)[O-])cc2)cc1 ZINC000737146873 602568106 /nfs/dbraw/zinc/56/81/06/602568106.db2.gz RWYMQJQYEIGMPD-UHFFFAOYSA-N -1 0 344.323 3.564 20 0 EHADRM CCc1ccc(NC(=O)N2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)cc1 ZINC000739540595 602580532 /nfs/dbraw/zinc/58/05/32/602580532.db2.gz CMNGIYBPLLROHO-DOTOQJQBSA-N -1 0 345.443 3.635 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](CNC(=O)[O-])C1 ZINC000740159571 602581036 /nfs/dbraw/zinc/58/10/36/602581036.db2.gz QWBWSNXSJWJZFS-AWEZNQCLSA-N -1 0 333.432 3.630 20 0 EHADRM CCc1ccccc1NC(=O)N1CCC[C@H]([C@@H]2CCCN2C(=O)[O-])C1 ZINC000739549959 602581432 /nfs/dbraw/zinc/58/14/32/602581432.db2.gz OTUDRIWTCCRVNZ-RDJZCZTQSA-N -1 0 345.443 3.635 20 0 EHADRM Cc1c(Cl)cc(NC(=O)NC2CCN(C(=O)[O-])CC2)cc1Cl ZINC000740053422 602593831 /nfs/dbraw/zinc/59/38/31/602593831.db2.gz QMGKSALRZMLOAQ-UHFFFAOYSA-N -1 0 346.214 3.566 20 0 EHADRM O=C([O-])NC1(CNC(=O)Nc2cccc3[nH]ccc32)CCCCCC1 ZINC000740548791 602595508 /nfs/dbraw/zinc/59/55/08/602595508.db2.gz WBECHBYSVJWAJB-UHFFFAOYSA-N -1 0 344.415 3.650 20 0 EHADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)Nc1ccc2oc3ccccc3c2c1 ZINC000738933200 602597123 /nfs/dbraw/zinc/59/71/23/602597123.db2.gz MGOYTODPJGXRLU-NSHDSACASA-N -1 0 341.367 3.706 20 0 EHADRM CC(C)[C@@H](C)NC(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000738773856 602598210 /nfs/dbraw/zinc/59/82/10/602598210.db2.gz LEBNRLWSTOMXIE-MRVPVSSYSA-N -1 0 333.310 3.961 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NCc2ccc(Cl)s2)cc1 ZINC000740710376 602600334 /nfs/dbraw/zinc/60/03/34/602600334.db2.gz CJKLUVNQICVYDI-UHFFFAOYSA-N -1 0 325.777 3.813 20 0 EHADRM C[C@@H](CCc1ccccc1)NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738904988 602601995 /nfs/dbraw/zinc/60/19/95/602601995.db2.gz GBEANKIUOMTHPC-ZDUSSCGKSA-N -1 0 327.384 3.919 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NCCSc2ccccc2)cc1 ZINC000740710678 602602914 /nfs/dbraw/zinc/60/29/14/602602914.db2.gz ISWDYLVODBMUSA-UHFFFAOYSA-N -1 0 331.397 3.690 20 0 EHADRM Cc1ccc(CCNC(=O)Nc2ccc(NC(=O)[O-])cc2)c(C)c1 ZINC000740124078 602603723 /nfs/dbraw/zinc/60/37/23/602603723.db2.gz FEDIZVKRFQFLIF-UHFFFAOYSA-N -1 0 327.384 3.758 20 0 EHADRM C[C@H]1CCCC[C@H]1NC(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739099141 602605732 /nfs/dbraw/zinc/60/57/32/602605732.db2.gz LFYSPDISENHEMT-SWLSCSKDSA-N -1 0 331.416 3.817 20 0 EHADRM C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739099140 602605944 /nfs/dbraw/zinc/60/59/44/602605944.db2.gz LFYSPDISENHEMT-IUODEOHRSA-N -1 0 331.416 3.817 20 0 EHADRM Cc1ccsc1CNC(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000740198197 602606215 /nfs/dbraw/zinc/60/62/15/602606215.db2.gz NIQINQOQWCJRIN-UHFFFAOYSA-N -1 0 345.424 3.809 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)CC[C@@H]2CCCO2)c(C(F)(F)F)c1 ZINC000740709307 602644247 /nfs/dbraw/zinc/64/42/47/602644247.db2.gz XBZJZWFBKQRZOV-JTQLQIEISA-N -1 0 346.305 3.693 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)OC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000738952322 602651575 /nfs/dbraw/zinc/65/15/75/602651575.db2.gz SBKVMMUCCVKGQM-JKXDFHQYSA-N -1 0 349.452 3.631 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)OC[C@H]1CC1(Cl)Cl)c1ccccc1 ZINC000740540569 602657575 /nfs/dbraw/zinc/65/75/75/602657575.db2.gz RZXLPPCQTFCVTQ-VXGBXAGGSA-N -1 0 346.210 3.513 20 0 EHADRM CC(=O)Nc1cc(Cl)ccc1NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736157212 602673381 /nfs/dbraw/zinc/67/33/81/602673381.db2.gz GDNZSQXIPRSAKP-UHFFFAOYSA-N -1 0 347.758 3.641 20 0 EHADRM Cc1ccc(NC(=O)N2CCC([C@H](C)NC(=O)[O-])CC2)cc1Cl ZINC000740138553 602689520 /nfs/dbraw/zinc/68/95/20/602689520.db2.gz LBPJYNXWXSLFNH-NSHDSACASA-N -1 0 339.823 3.548 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)Nc1cc(OC)ccc1NC(=O)[O-] ZINC000739261340 602699455 /nfs/dbraw/zinc/69/94/55/602699455.db2.gz UULYSNPPCSDYRT-CQSZACIVSA-N -1 0 342.395 3.993 20 0 EHADRM Cc1ccc(C)c(N(C(=O)c2csc(CNC(=O)[O-])n2)C(C)C)c1 ZINC000740116368 602703159 /nfs/dbraw/zinc/70/31/59/602703159.db2.gz UPOBZXVZXMGWFE-UHFFFAOYSA-N -1 0 347.440 3.583 20 0 EHADRM Cc1ncc(/C=C/C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])s1 ZINC000740233174 602703819 /nfs/dbraw/zinc/70/38/19/602703819.db2.gz IKQBXKHHIGHOMM-FNORWQNLSA-N -1 0 343.408 3.534 20 0 EHADRM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2cc(NC(=O)[O-])ccc2F)c1 ZINC000739951982 602726423 /nfs/dbraw/zinc/72/64/23/602726423.db2.gz XLQSGQRHESMUPH-KBPBESRZSA-N -1 0 344.342 3.666 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(CCc2cc(Cl)cs2)n1 ZINC000738822678 602778798 /nfs/dbraw/zinc/77/87/98/602778798.db2.gz JPWYGAHONAHGDT-NSHDSACASA-N -1 0 343.836 3.925 20 0 EHADRM CC(C)(CCC(=O)Nc1nc(-c2ccccc2)cs1)NC(=O)[O-] ZINC000738743378 602781989 /nfs/dbraw/zinc/78/19/89/602781989.db2.gz IWWACLXDDCOSOP-UHFFFAOYSA-N -1 0 333.413 3.575 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739956703 602783574 /nfs/dbraw/zinc/78/35/74/602783574.db2.gz VKVAXLKBGUXWFK-UHFFFAOYSA-N -1 0 346.358 3.841 20 0 EHADRM CC[C@H](NC(=O)CCC(C)(C)NC(=O)[O-])c1ccc(Cl)cc1 ZINC000739264333 602788329 /nfs/dbraw/zinc/78/83/29/602788329.db2.gz SHAXSTSCWQYNRD-ZDUSSCGKSA-N -1 0 326.824 3.734 20 0 EHADRM CC(C)C[C@@H](NC(=O)CCC(C)(C)NC(=O)[O-])c1cccs1 ZINC000738812238 602795244 /nfs/dbraw/zinc/79/52/44/602795244.db2.gz QAEICLVKLISCHW-GFCCVEGCSA-N -1 0 326.462 3.778 20 0 EHADRM CC(C)(CCC(=O)N(Cc1cscn1)c1ccccc1)NC(=O)[O-] ZINC000738740582 602805082 /nfs/dbraw/zinc/80/50/82/602805082.db2.gz UUWFOIIYPOQINR-UHFFFAOYSA-N -1 0 347.440 3.503 20 0 EHADRM Cc1sc(CN(C)C(=O)[O-])nc1-c1ccc(OC(F)F)cc1 ZINC000740279446 602810713 /nfs/dbraw/zinc/81/07/13/602810713.db2.gz HYUDVXDSLWIGKY-UHFFFAOYSA-N -1 0 328.340 3.830 20 0 EHADRM CC(C)c1ccc([C@H](C)NC(=O)N2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)cc1 ZINC000738879137 602812206 /nfs/dbraw/zinc/81/22/06/602812206.db2.gz TWELUHOFLATDRS-GRDNDAEWSA-N -1 0 347.459 3.559 20 0 EHADRM CC(C)[C@H](NC(=O)C[C@@H](C)NC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000824615494 602817211 /nfs/dbraw/zinc/81/72/11/602817211.db2.gz UPJPGZWLXUCZDH-YGRLFVJLSA-N -1 0 346.349 3.565 20 0 EHADRM CCC[C@H](CC1CCCC1)C(=O)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000739307504 602848035 /nfs/dbraw/zinc/84/80/35/602848035.db2.gz VKOKBLUIJVMTLS-QGZVFWFLSA-N -1 0 338.492 3.831 20 0 EHADRM CCSc1ccc([C@@H](C)NC(=O)C[C@H]2CCCN2C(=O)[O-])cc1 ZINC000827508624 602851630 /nfs/dbraw/zinc/85/16/30/602851630.db2.gz PFJSCQVSRZBTFQ-TZMCWYRMSA-N -1 0 336.457 3.508 20 0 EHADRM C[C@H]1C[C@H]1c1cc(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)n[nH]1 ZINC000739082436 602856098 /nfs/dbraw/zinc/85/60/98/602856098.db2.gz MKSMRDZVBBQEHI-OIBJUYFYSA-N -1 0 334.763 3.529 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=S)NC(C3CC3)C3CC3)ccc21 ZINC000740523210 602877440 /nfs/dbraw/zinc/87/74/40/602877440.db2.gz FYWOAUPLTLCRQN-UHFFFAOYSA-N -1 0 345.468 3.592 20 0 EHADRM CC(C)(C)[C@@H]1CCCN(C(=O)c2ccc(CNC(=O)[O-])cc2)CC1 ZINC000738676539 602879769 /nfs/dbraw/zinc/87/97/69/602879769.db2.gz RYJSXNTYLYYOGR-MRXNPFEDSA-N -1 0 332.444 3.743 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)Nc2cccc(CNC(=O)[O-])c2)s1 ZINC000740123033 602900825 /nfs/dbraw/zinc/90/08/25/602900825.db2.gz YUIRYGGUYMIEGF-LLVKDONJSA-N -1 0 347.440 3.577 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cccc(Cl)c2Cl)CC[C@@H]1NC(=O)[O-] ZINC000739144172 602908168 /nfs/dbraw/zinc/90/81/68/602908168.db2.gz INVJSRQWCRJVIP-SCZZXKLOSA-N -1 0 346.214 3.503 20 0 EHADRM Cc1cc(C)c(NC(=O)N2C[C@@H](C)N(C(=O)[O-])[C@H](C)C2)c(Cl)c1 ZINC000740064844 602939851 /nfs/dbraw/zinc/93/98/51/602939851.db2.gz BOXIDZUZPGUJIO-VXGBXAGGSA-N -1 0 339.823 3.561 20 0 EHADRM Cc1cc(OCc2ccccc2)ccc1NC(=O)C[C@H](C)NC(=O)[O-] ZINC000830128785 602956120 /nfs/dbraw/zinc/95/61/20/602956120.db2.gz HPGZOHJRQMJXON-AWEZNQCLSA-N -1 0 342.395 3.559 20 0 EHADRM CC[C@H](C)[C@H](C(=O)N1CCC([C@@H](C)NC(=O)[O-])CC1)c1ccccc1 ZINC000739230809 602956914 /nfs/dbraw/zinc/95/69/14/602956914.db2.gz ZNMUXZGZKNQZBQ-DAYGRLMNSA-N -1 0 346.471 3.711 20 0 EHADRM Cc1ccc(C)c(C(=O)CCC(=O)Oc2ccc(NC(=O)[O-])cc2)c1 ZINC000738262694 602960546 /nfs/dbraw/zinc/96/05/46/602960546.db2.gz PYUWWZNRIFNSGR-UHFFFAOYSA-N -1 0 341.363 3.962 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)COc2ccc(F)c(Cl)c2)cc1 ZINC000738671085 602961420 /nfs/dbraw/zinc/96/14/20/602961420.db2.gz ZIJXFSVSFFJFIS-UHFFFAOYSA-N -1 0 339.706 3.553 20 0 EHADRM Cc1ccc([C@H]2CCCCCN2C(=O)c2ccc(CNC(=O)[O-])o2)o1 ZINC000830283523 602975579 /nfs/dbraw/zinc/97/55/79/602975579.db2.gz WYFVZNDPBHHKSS-CQSZACIVSA-N -1 0 346.383 3.706 20 0 EHADRM CC(C)[C@H]1CCCCN1C(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000738802941 602979863 /nfs/dbraw/zinc/97/98/63/602979863.db2.gz ZLTZEZKQLPHKQU-DLBZAZTESA-N -1 0 332.444 3.813 20 0 EHADRM CC(C)N(CCC(=O)Nc1ccccc1CC(F)(F)F)C(=O)[O-] ZINC000738843914 602994185 /nfs/dbraw/zinc/99/41/85/602994185.db2.gz MOVWKKMWHIAEAE-UHFFFAOYSA-N -1 0 332.322 3.508 20 0 EHADRM CC(C)C1CCN(C(=O)CC[C@H](NC(=O)[O-])c2ccccc2)CC1 ZINC000738799741 602996238 /nfs/dbraw/zinc/99/62/38/602996238.db2.gz AMDNYFBNVLFAQE-KRWDZBQOSA-N -1 0 332.444 3.670 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)OCc2ccc3ncccc3c2)cc1 ZINC000740702600 602996241 /nfs/dbraw/zinc/99/62/41/602996241.db2.gz CXGYAXLQLSCBPQ-UHFFFAOYSA-N -1 0 336.347 3.611 20 0 EHADRM CC(C)(CC(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl)NC(=O)[O-] ZINC000738733315 602999134 /nfs/dbraw/zinc/99/91/34/602999134.db2.gz UGHIRUGWHVDKGU-LLVKDONJSA-N -1 0 345.226 3.533 20 0 EHADRM O=C([O-])Nc1cc(-c2nc(CCc3ccccc3)no2)ccc1F ZINC000740692739 603007640 /nfs/dbraw/zinc/00/76/40/603007640.db2.gz GAVJXLZRMAOSFS-UHFFFAOYSA-N -1 0 327.315 3.751 20 0 EHADRM CCc1ccc([C@@H]2CCCCCN2C(=O)CC(C)(C)NC(=O)[O-])o1 ZINC000739543513 603008627 /nfs/dbraw/zinc/00/86/27/603008627.db2.gz NXHVGMSXYOYMRJ-AWEZNQCLSA-N -1 0 336.432 3.722 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc([C@@H](C)Oc2ccccc2Cl)n1 ZINC000738908160 603009170 /nfs/dbraw/zinc/00/91/70/603009170.db2.gz NKXZMZSZDRNXEA-NXEZZACHSA-N -1 0 339.779 3.576 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc(CSc2ccc3c(c2)CCC3)n1 ZINC000738915402 603009702 /nfs/dbraw/zinc/00/97/02/603009702.db2.gz XCZTYMGDSZZHGI-LLVKDONJSA-N -1 0 347.440 3.564 20 0 EHADRM Cc1ccc(C)c(SCc2nc([C@H](C)CN(C)C(=O)[O-])no2)c1 ZINC000740119811 603017945 /nfs/dbraw/zinc/01/79/45/603017945.db2.gz UBYVCJMHVMSKIS-GFCCVEGCSA-N -1 0 335.429 3.692 20 0 EHADRM CC(C)c1ccsc1C(=O)NC[C@H](NC(=O)[O-])c1ccccc1 ZINC000738878771 603019817 /nfs/dbraw/zinc/01/98/17/603019817.db2.gz YVNQKXPLZAQPSO-AWEZNQCLSA-N -1 0 332.425 3.610 20 0 EHADRM CC(C)n1ncc2cc(CNc3cc(NC(=O)[O-])ccc3F)cnc21 ZINC000738887663 603019798 /nfs/dbraw/zinc/01/97/98/603019798.db2.gz JRCUWOUUONFKCB-UHFFFAOYSA-N -1 0 343.362 3.853 20 0 EHADRM CC(=O)Nc1ccc(NC(=O)Nc2cc(NC(=O)[O-])ccc2F)cc1 ZINC000738575261 603037470 /nfs/dbraw/zinc/03/74/70/603037470.db2.gz UPFIJOHTMIPNTI-UHFFFAOYSA-N -1 0 346.318 3.518 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)Cc2csc(C(C)(C)C)n2)cc1 ZINC000827914240 603043015 /nfs/dbraw/zinc/04/30/15/603043015.db2.gz JDPVZWDZKPDLDU-UHFFFAOYSA-N -1 0 348.424 3.703 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)N2CC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000740671737 603043310 /nfs/dbraw/zinc/04/33/10/603043310.db2.gz SIBRLINJUVINMG-INIZCTEOSA-N -1 0 344.798 3.695 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)CCOc2ccc(Cl)cc2)cc1 ZINC000827909083 603048099 /nfs/dbraw/zinc/04/80/99/603048099.db2.gz WTLXTFOFMNOSIE-UHFFFAOYSA-N -1 0 349.770 3.829 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)CCc2c[nH]c3ccccc23)cc1 ZINC000827908058 603049557 /nfs/dbraw/zinc/04/95/57/603049557.db2.gz HORSKNFZIHKZAI-UHFFFAOYSA-N -1 0 338.363 3.820 20 0 EHADRM Cc1ccccc1NCCC(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000830587047 603050808 /nfs/dbraw/zinc/05/08/08/603050808.db2.gz RWABKTDOUQWOMR-UHFFFAOYSA-N -1 0 328.368 3.517 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)CCN(C(=O)[O-])C(C)C ZINC000738864382 603060508 /nfs/dbraw/zinc/06/05/08/603060508.db2.gz VLCKQCFANHVFHS-UHFFFAOYSA-N -1 0 342.823 3.844 20 0 EHADRM CCN(Cc1nc(-c2ccc(OC)cc2OC)c(C)s1)C(=O)[O-] ZINC000739451959 603070973 /nfs/dbraw/zinc/07/09/73/603070973.db2.gz NLSZJMUXNGJVOY-UHFFFAOYSA-N -1 0 336.413 3.636 20 0 EHADRM Cc1csc([C@H]2CCCN(C(=O)c3ccc(NC(=O)[O-])cc3)C2)n1 ZINC000738336483 603073410 /nfs/dbraw/zinc/07/34/10/603073410.db2.gz HIWYMTQUSQWNEG-ZDUSSCGKSA-N -1 0 345.424 3.561 20 0 EHADRM CC[C@@H]1c2ccccc2CCN1C(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000739280177 603103000 /nfs/dbraw/zinc/10/30/00/603103000.db2.gz QTZHHOQBGDLYSK-GOSISDBHSA-N -1 0 338.407 3.855 20 0 EHADRM CN(Cc1ccccc1NC(=O)NC1(c2ccccc2)CC1)C(=O)[O-] ZINC000739712711 603140534 /nfs/dbraw/zinc/14/05/34/603140534.db2.gz IGTZOVKSQYTBMM-UHFFFAOYSA-N -1 0 339.395 3.607 20 0 EHADRM C[C@H](CNC(=O)Nc1ccccc1CN(C)C(=O)[O-])c1ccccc1 ZINC000738920252 603141105 /nfs/dbraw/zinc/14/11/05/603141105.db2.gz MYYVAPPLUAMVMX-CQSZACIVSA-N -1 0 341.411 3.722 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739883680 603151827 /nfs/dbraw/zinc/15/18/27/603151827.db2.gz CSYODFYHXWABDH-TZMCWYRMSA-N -1 0 348.443 3.758 20 0 EHADRM Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)Oc1ccc(NC(=O)[O-])cc1 ZINC000830555160 603155778 /nfs/dbraw/zinc/15/57/78/603155778.db2.gz QXAAMQDLNJMGML-KGLIPLIRSA-N -1 0 342.395 3.730 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739056086 603164633 /nfs/dbraw/zinc/16/46/33/603164633.db2.gz ZNTMKWCAUGXGFJ-ZLDLUXBVSA-N -1 0 338.835 3.686 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@H](C(=O)Nc2ncc(-c3ccccc3)s2)C1 ZINC000740561415 603168405 /nfs/dbraw/zinc/16/84/05/603168405.db2.gz CNPCPLKAKMHZNK-STQMWFEESA-N -1 0 345.424 3.575 20 0 EHADRM O=C([O-])N1CCc2c(cccc2NC(=S)Nc2ccccc2F)C1 ZINC000740529133 603174268 /nfs/dbraw/zinc/17/42/68/603174268.db2.gz IACLVVDHALRWOG-UHFFFAOYSA-N -1 0 345.399 3.671 20 0 EHADRM Cc1ccccc1NC(=S)Nc1cccc2c1CCN(C(=O)[O-])C2 ZINC000740186909 603174276 /nfs/dbraw/zinc/17/42/76/603174276.db2.gz VIYGODCIQZQIDA-UHFFFAOYSA-N -1 0 341.436 3.840 20 0 EHADRM CCOc1ccc(NC(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)cc1Cl ZINC000739506581 603174395 /nfs/dbraw/zinc/17/43/95/603174395.db2.gz MIJKDWGXFVNSHS-GHMZBOCLSA-N -1 0 340.807 3.504 20 0 EHADRM Cc1c(Cl)cccc1OCC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738201954 603174776 /nfs/dbraw/zinc/17/47/76/603174776.db2.gz LGZSILZSUWTJGD-UHFFFAOYSA-N -1 0 334.759 3.756 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)N2CCCCC[C@@H]2c2ccccc2)C1 ZINC000740565537 603175010 /nfs/dbraw/zinc/17/50/10/603175010.db2.gz RCZSTSLHHGXOTI-RCCFBDPRSA-N -1 0 344.455 3.957 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)[C@@H](C)Cc2ccccc2F)cc1 ZINC000825021832 603176577 /nfs/dbraw/zinc/17/65/77/603176577.db2.gz BEBTXGFPMOGQCF-QWHCGFSZSA-N -1 0 344.386 3.972 20 0 EHADRM CCCOc1ccc(NC(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)c(C)c1 ZINC000739363909 603177223 /nfs/dbraw/zinc/17/72/23/603177223.db2.gz LVGWQIROTREDSO-KGLIPLIRSA-N -1 0 334.416 3.549 20 0 EHADRM CSc1ccc(O[C@H](C)C(=O)Nc2ccccc2NC(=O)[O-])cc1 ZINC000740018300 603178334 /nfs/dbraw/zinc/17/83/34/603178334.db2.gz BDDLEOGHPONNKK-LLVKDONJSA-N -1 0 346.408 3.904 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 ZINC000825616695 603179311 /nfs/dbraw/zinc/17/93/11/603179311.db2.gz IQRAYWRJKNBIKG-VXGBXAGGSA-N -1 0 346.358 3.560 20 0 EHADRM Cc1ccc(CN(C(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)C(C)C)s1 ZINC000740122627 603182062 /nfs/dbraw/zinc/18/20/62/603182062.db2.gz QTHWFAABUIPUQG-ZIAGYGMSSA-N -1 0 338.473 3.620 20 0 EHADRM CN(Cc1ccccc1NC(=O)[C@H]1C[C@H]1C1CCCCC1)C(=O)[O-] ZINC000739710596 603184596 /nfs/dbraw/zinc/18/45/96/603184596.db2.gz OGRPOIWBTXNEMB-HOTGVXAUSA-N -1 0 330.428 3.951 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2cc(Cl)c(Cl)[nH]2)cc1 ZINC000825442575 603191186 /nfs/dbraw/zinc/19/11/86/603191186.db2.gz KMFOZUZXFUTRMF-SSDOTTSWSA-N -1 0 342.182 3.902 20 0 EHADRM Cc1cccc(CCC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)c1 ZINC000830491346 603192604 /nfs/dbraw/zinc/19/26/04/603192604.db2.gz BMGCIQHNTFWQEB-AWEZNQCLSA-N -1 0 326.396 3.895 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)Nc2ccc(F)cc2C(F)(F)F)C1 ZINC000740572364 603194265 /nfs/dbraw/zinc/19/42/65/603194265.db2.gz LPWSFNNJEDAJQC-PSASIEDQSA-N -1 0 348.296 3.609 20 0 EHADRM O=C([O-])N[C@@H](CNc1ncccc1C(F)(F)F)c1ccccc1 ZINC000832140286 603202377 /nfs/dbraw/zinc/20/23/77/603202377.db2.gz IVURITWPVJRIIS-LBPRGKRZSA-N -1 0 325.290 3.521 20 0 EHADRM CN(C(=O)c1ccc(NC(=O)[O-])cc1Cl)c1nc2ccccc2o1 ZINC000739593855 603211710 /nfs/dbraw/zinc/21/17/10/603211710.db2.gz QBFMPGARFNKKJI-UHFFFAOYSA-N -1 0 345.742 3.848 20 0 EHADRM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000739051713 603215191 /nfs/dbraw/zinc/21/51/91/603215191.db2.gz FASGQWQMCVVFIY-ONGXEEELSA-N -1 0 345.226 3.513 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2C(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)cc1 ZINC000740116565 603216485 /nfs/dbraw/zinc/21/64/85/603216485.db2.gz ABELORDYNNIMLJ-BZSNNMDCSA-N -1 0 344.455 3.875 20 0 EHADRM O=C([O-])N1CC[C@H](C(=O)Nc2cc(F)ccc2Oc2ccccc2)C1 ZINC000740457669 603241555 /nfs/dbraw/zinc/24/15/55/603241555.db2.gz PZFQPMRFXDQWIL-LBPRGKRZSA-N -1 0 344.342 3.556 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000830472625 603252706 /nfs/dbraw/zinc/25/27/06/603252706.db2.gz RFFGMCVJPVUACK-CQSZACIVSA-N -1 0 333.432 3.725 20 0 EHADRM CC(C)[C@H](NC(=O)c1ccc(NC(=O)[O-])cc1Cl)c1ccccn1 ZINC000738798667 603252827 /nfs/dbraw/zinc/25/28/27/603252827.db2.gz VXFXYHBCCKSMDI-HNNXBMFYSA-N -1 0 347.802 3.952 20 0 EHADRM C[C@H](NC(=O)[C@@H](NC(=O)[O-])c1cccc(Cl)c1)c1cccs1 ZINC000738954573 603265438 /nfs/dbraw/zinc/26/54/38/603265438.db2.gz YQZCOMVJEWYBCU-ZANVPECISA-N -1 0 338.816 3.588 20 0 EHADRM Cc1ccc(F)c(NC(=O)[C@H](NC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000740126350 603269083 /nfs/dbraw/zinc/26/90/83/603269083.db2.gz AVICZZITJMKPPM-CQSZACIVSA-N -1 0 336.750 3.735 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NCc2ccc(Cl)o2)c(Cl)c1 ZINC000740699090 603276327 /nfs/dbraw/zinc/27/63/27/603276327.db2.gz RYCFHUUTRUMMCP-UHFFFAOYSA-N -1 0 329.139 3.606 20 0 EHADRM COc1ccc([C@H](C)N(C)C(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1 ZINC000829303512 603284720 /nfs/dbraw/zinc/28/47/20/603284720.db2.gz PPAFBBQETUSZRZ-ZDUSSCGKSA-N -1 0 342.395 3.927 20 0 EHADRM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736759351 603294020 /nfs/dbraw/zinc/29/40/20/603294020.db2.gz IRSBITNPBPAEAO-DOMZBBRYSA-N -1 0 342.370 3.934 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@H]2CCc3c2cccc3O)c(Cl)c1 ZINC000740699696 603315839 /nfs/dbraw/zinc/31/58/39/603315839.db2.gz XBBNZTFZUANRJZ-AWEZNQCLSA-N -1 0 346.770 3.553 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cccc(CNC(=O)[O-])c2)c2ccccc21 ZINC000739145604 603323107 /nfs/dbraw/zinc/32/31/07/603323107.db2.gz NXSNKNPVGQYLQC-GFCCVEGCSA-N -1 0 325.368 3.610 20 0 EHADRM C[C@@H]1Cc2ccccc2CN1C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000826093664 603328142 /nfs/dbraw/zinc/32/81/42/603328142.db2.gz JMVPCNUKJNBTLG-LLVKDONJSA-N -1 0 343.358 3.894 20 0 EHADRM CCCOc1ccccc1NC(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739372716 603330729 /nfs/dbraw/zinc/33/07/29/603330729.db2.gz QUEUCDCTZDZMKM-UHFFFAOYSA-N -1 0 343.383 3.887 20 0 EHADRM CCN(Cc1cccc(NC(=O)N2C[C@H](C)C[C@@H](C)C2)c1)C(=O)[O-] ZINC000739441017 603344148 /nfs/dbraw/zinc/34/41/48/603344148.db2.gz CRLYTEVAYXRZCJ-ZIAGYGMSSA-N -1 0 333.432 3.696 20 0 EHADRM CCN(Cc1cccc(NC(=O)N2CCC[C@@H]2C2CCC2)c1)C(=O)[O-] ZINC000739444980 603344856 /nfs/dbraw/zinc/34/48/56/603344856.db2.gz ZWZRFOLVGDHUIV-QGZVFWFLSA-N -1 0 345.443 3.983 20 0 EHADRM Cc1ccc(C(=O)NCCc2ccc(Cl)s2)cc1NC(=O)[O-] ZINC000830220552 603345491 /nfs/dbraw/zinc/34/54/91/603345491.db2.gz XTYUSPRWWUJGJY-UHFFFAOYSA-N -1 0 338.816 3.772 20 0 EHADRM CCN(Cc1ccccc1NC(=O)NCc1ccccc1C)C(=O)[O-] ZINC000739444024 603349628 /nfs/dbraw/zinc/34/96/28/603349628.db2.gz SQURIWHRDOUCDP-UHFFFAOYSA-N -1 0 341.411 3.817 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N[C@@H](C)Cc1ccco1)C(=O)[O-] ZINC000739447739 603351905 /nfs/dbraw/zinc/35/19/05/603351905.db2.gz ODPSJKUJUJKPPL-ZDUSSCGKSA-N -1 0 345.399 3.532 20 0 EHADRM Cc1ccc(CN(C)C(=O)Nc2cccc(CN(C)C(=O)[O-])c2)cc1 ZINC000740122018 603359422 /nfs/dbraw/zinc/35/94/22/603359422.db2.gz OMNOCRIHXKSWQE-UHFFFAOYSA-N -1 0 341.411 3.769 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1ccc(CNC(=O)[O-])o1)c1ccccc1 ZINC000823759768 603359454 /nfs/dbraw/zinc/35/94/54/603359454.db2.gz KSQJUJCFGPVEIA-HNNXBMFYSA-N -1 0 330.384 3.564 20 0 EHADRM C[C@@H]1CN(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)CC[C@@H]1NC(=O)[O-] ZINC000739130724 603363012 /nfs/dbraw/zinc/36/30/12/603363012.db2.gz VZHJTQWRACQUKJ-IYKWBQJMSA-N -1 0 344.455 3.502 20 0 EHADRM Cc1cccc(CN(C)C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)c1 ZINC000830497424 603369724 /nfs/dbraw/zinc/36/97/24/603369724.db2.gz GRKBEIUAFPKCSU-CQSZACIVSA-N -1 0 341.411 3.988 20 0 EHADRM Cc1nc([C@H](C)NC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)cs1 ZINC000830709713 603375386 /nfs/dbraw/zinc/37/53/86/603375386.db2.gz PFVMLNVBNDWCQC-UWVGGRQHSA-N -1 0 348.428 3.663 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000825426328 603375786 /nfs/dbraw/zinc/37/57/86/603375786.db2.gz BXJWJCKWDOWFQT-VUCTXSBTSA-N -1 0 339.395 3.693 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(OC(C)C)nc2)cc1NC(=O)[O-] ZINC000830230844 603376776 /nfs/dbraw/zinc/37/67/76/603376776.db2.gz SYXUACKEAAZTNR-UHFFFAOYSA-N -1 0 329.356 3.519 20 0 EHADRM CC(C)(C(=O)N1CCN(C(=O)[O-])Cc2ccccc21)c1cccs1 ZINC000738650922 603387982 /nfs/dbraw/zinc/38/79/82/603387982.db2.gz WXILZWBGWCYSSU-UHFFFAOYSA-N -1 0 344.436 3.553 20 0 EHADRM CCN(CC(=O)Nc1ccccc1O[C@@H](C)c1ccccc1)C(=O)[O-] ZINC000739398419 603398458 /nfs/dbraw/zinc/39/84/58/603398458.db2.gz WHDNWXVCXWXDAI-AWEZNQCLSA-N -1 0 342.395 3.765 20 0 EHADRM Cc1ccc(NC(=O)C[C@@H](Cc2ccccc2)NC(=O)[O-])c(C)c1 ZINC000830364235 603426596 /nfs/dbraw/zinc/42/65/96/603426596.db2.gz OKLMSNPFIVQZBC-MRXNPFEDSA-N -1 0 326.396 3.511 20 0 EHADRM CCOc1cccc(C(=O)N2CCCN(C(=O)[O-])c3ccccc32)c1 ZINC000739502414 603431830 /nfs/dbraw/zinc/43/18/30/603431830.db2.gz AFZHTVFCCMSBHH-UHFFFAOYSA-N -1 0 340.379 3.620 20 0 EHADRM Cc1ccc(C(=O)OCc2cnc3ccccc3c2)cc1NC(=O)[O-] ZINC000830246104 603439229 /nfs/dbraw/zinc/43/92/29/603439229.db2.gz ZZFJUNHFLQWZHM-UHFFFAOYSA-N -1 0 336.347 3.990 20 0 EHADRM Cc1cccc(C)c1NC(=O)N1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000830489158 603452046 /nfs/dbraw/zinc/45/20/46/603452046.db2.gz QQJMYTQIEXVSTJ-UHFFFAOYSA-N -1 0 345.443 3.690 20 0 EHADRM COc1ccc(F)c(NC(=O)Nc2cccc3c2CCN3C(=O)[O-])c1 ZINC000829413905 603478195 /nfs/dbraw/zinc/47/81/95/603478195.db2.gz GLHOBNWEKGNQTR-UHFFFAOYSA-N -1 0 345.330 3.519 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)Nc2ccc3c(c2)oc2ccccc23)C1 ZINC000832289563 603478582 /nfs/dbraw/zinc/47/85/82/603478582.db2.gz ZASLPGQAIUYPRI-VXGBXAGGSA-N -1 0 338.363 3.961 20 0 EHADRM Cc1ccc(NC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)c(C)n1 ZINC000830390018 603480609 /nfs/dbraw/zinc/48/06/09/603480609.db2.gz ASTQWGXCXQMZIO-NSHDSACASA-N -1 0 328.372 3.671 20 0 EHADRM Cc1cc(C)c(NC(=O)C[C@H](Cc2ccccc2)NC(=O)[O-])c(C)c1 ZINC000829991655 603524996 /nfs/dbraw/zinc/52/49/96/603524996.db2.gz VVKWRGQOAPFSNU-KRWDZBQOSA-N -1 0 340.423 3.819 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N[C@H]1CCCC[C@H]1C ZINC000829174170 603526540 /nfs/dbraw/zinc/52/65/40/603526540.db2.gz QLHVWKGLIMBNQF-SKDRFNHKSA-N -1 0 340.807 3.747 20 0 EHADRM C[C@H](c1ncc(C(C)(C)C)o1)N1CCC[C@@H]([C@H]2CCCN2C(=O)[O-])C1 ZINC000825644362 603538716 /nfs/dbraw/zinc/53/87/16/603538716.db2.gz BTXQWPBWGNVLLV-RBSFLKMASA-N -1 0 349.475 3.888 20 0 EHADRM COc1ccc(NC(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)cc1NC(=O)[O-] ZINC000829458858 603581188 /nfs/dbraw/zinc/58/11/88/603581188.db2.gz BLBGCQDKBGPHNX-JMSVASOKSA-N -1 0 347.415 3.970 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000825861883 603584674 /nfs/dbraw/zinc/58/46/74/603584674.db2.gz ZNYLOUXMHHQQLT-IVMMDQJWSA-N -1 0 331.416 3.639 20 0 EHADRM CC[C@H]1C[C@H](C)CN1C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000826661124 603593860 /nfs/dbraw/zinc/59/38/60/603593860.db2.gz PKAJGSUSHMKZOU-WFASDCNBSA-N -1 0 331.416 3.770 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(-c2ccccc2)cc1)NC(=O)[O-] ZINC000823941665 603601934 /nfs/dbraw/zinc/60/19/34/603601934.db2.gz VEZCRFNYILHLTD-UHFFFAOYSA-N -1 0 327.384 3.521 20 0 EHADRM Cc1c(F)cccc1NC(=O)N1CCC([C@H]2CCCN2C(=O)[O-])CC1 ZINC000829871539 603609897 /nfs/dbraw/zinc/60/98/97/603609897.db2.gz CGNXNYSICYHBMR-MRXNPFEDSA-N -1 0 349.406 3.520 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)N(C)C2CCC(NC(=O)[O-])CC2)c(C)c1 ZINC000830250455 603631831 /nfs/dbraw/zinc/63/18/31/603631831.db2.gz CVCGHAQGLUXHIM-FHERZECASA-N -1 0 347.459 3.585 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)c1cccc(Cl)c1Cl ZINC000825081169 603632754 /nfs/dbraw/zinc/63/27/54/603632754.db2.gz AFMUWCQZGKSJBN-IVZWLZJFSA-N -1 0 345.226 3.607 20 0 EHADRM CCCC[C@@H](CCC)NC(=O)N(C)C1CCC(NC(=O)[O-])CC1 ZINC000826782013 603673210 /nfs/dbraw/zinc/67/32/10/603673210.db2.gz UHNKYBBNYQZGCO-WLYUNCDWSA-N -1 0 327.469 3.566 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CCc3c2cccc3Cl)ccc1F ZINC000832818038 603729400 /nfs/dbraw/zinc/72/94/00/603729400.db2.gz RIULHUQYQIVIAP-UHFFFAOYSA-N -1 0 334.734 3.772 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(NC(=O)[O-])cc1)C(=O)c1cccc(F)c1 ZINC000824696154 603755344 /nfs/dbraw/zinc/75/53/44/603755344.db2.gz QVMLKRYQMSJFFB-LLVKDONJSA-N -1 0 344.342 3.763 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(C2(c3ccccc3F)CC2)n1 ZINC000824219475 603767931 /nfs/dbraw/zinc/76/79/31/603767931.db2.gz UPTCHXFDHJLPRJ-ZDUSSCGKSA-N -1 0 333.363 3.643 20 0 EHADRM C[C@H](NC(=O)c1ccc(F)c(NC(=O)[O-])c1)c1ccc(F)cc1F ZINC000739021472 603768759 /nfs/dbraw/zinc/76/87/59/603768759.db2.gz DKLSYTGCEIMEMD-QMMMGPOBSA-N -1 0 338.285 3.685 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000830329281 603827339 /nfs/dbraw/zinc/82/73/39/603827339.db2.gz QCVVICNDWFXIEY-QXMXGUDHSA-N -1 0 336.819 3.898 20 0 EHADRM O=C([O-])NC1CCC(C(=O)N(CC2CCC2)c2ccccc2)CC1 ZINC000832239373 603833949 /nfs/dbraw/zinc/83/39/49/603833949.db2.gz FSMOIWSBRMJNES-UHFFFAOYSA-N -1 0 330.428 3.646 20 0 EHADRM CC1CCC(N(C)C(=O)Nc2cccc3c2CCN3C(=O)[O-])CC1 ZINC000825879845 603980915 /nfs/dbraw/zinc/98/09/15/603980915.db2.gz DFNNGMYSYBMNAS-UHFFFAOYSA-N -1 0 331.416 3.770 20 0 EHADRM CCC1(C)CCN(C(=O)Nc2cccc3c2CCN3C(=O)[O-])CC1 ZINC000826645749 603984573 /nfs/dbraw/zinc/98/45/73/603984573.db2.gz STVXZKCRNLWNBM-UHFFFAOYSA-N -1 0 331.416 3.771 20 0 EHADRM O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)Nc1cccc(C(F)F)c1)C2 ZINC000831307595 603995668 /nfs/dbraw/zinc/99/56/68/603995668.db2.gz CNFMSRFASAPOQX-FTNCPSPGSA-N -1 0 338.354 3.874 20 0 EHADRM Cc1cnc([C@H](C)NC(=O)c2ccc(NC(=O)[O-])cc2Cl)s1 ZINC000830624565 604014184 /nfs/dbraw/zinc/01/41/84/604014184.db2.gz JMOYXJLYMADWKT-QMMMGPOBSA-N -1 0 339.804 3.686 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)c2c(F)c(F)cc(F)c2F)cc1 ZINC000827914276 604020399 /nfs/dbraw/zinc/02/03/99/604020399.db2.gz LCDGFKVAXZBJCD-UHFFFAOYSA-N -1 0 343.232 3.576 20 0 EHADRM Cc1ccc(-c2cnc(CN3CCCC[C@H]3[C@@H](C)NC(=O)[O-])o2)cc1 ZINC000830149566 604048547 /nfs/dbraw/zinc/04/85/47/604048547.db2.gz RPCFUPJYKGAYKE-ZBFHGGJFSA-N -1 0 343.427 3.661 20 0 EHADRM Cc1ccccc1-c1cnc(CN2CCCC[C@H]2[C@H](C)NC(=O)[O-])o1 ZINC000830546803 604048962 /nfs/dbraw/zinc/04/89/62/604048962.db2.gz ZDSMRYRMANEOFS-HOCLYGCPSA-N -1 0 343.427 3.661 20 0 EHADRM C[C@H](c1cc2ccccc2o1)N(C)C(=O)CC1(NC(=O)[O-])CCC1 ZINC000825624505 604082519 /nfs/dbraw/zinc/08/25/19/604082519.db2.gz XJCVCKZTKKMTGU-GFCCVEGCSA-N -1 0 330.384 3.533 20 0 EHADRM COc1ccc(NC(=O)c2scnc2C(C)(C)C)cc1NC(=O)[O-] ZINC000829474633 604091974 /nfs/dbraw/zinc/09/19/74/604091974.db2.gz LGWYEFIWXKHUEA-UHFFFAOYSA-N -1 0 349.412 3.791 20 0 EHADRM CN(C[C@H]1CCCN1Cc1coc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000828229257 604108907 /nfs/dbraw/zinc/10/89/07/604108907.db2.gz AOXBMIRBYQEXMF-OAHLLOKOSA-N -1 0 349.818 3.569 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)N3CCC[C@@H]4CCC[C@@H]43)ccc21 ZINC000832080071 604135924 /nfs/dbraw/zinc/13/59/24/604135924.db2.gz QMFCDTPVHYRADM-WFASDCNBSA-N -1 0 329.400 3.524 20 0 EHADRM C[C@H](c1ccco1)N(C(=O)Nc1cccc(CNC(=O)[O-])c1)C1CC1 ZINC000825645254 604136828 /nfs/dbraw/zinc/13/68/28/604136828.db2.gz MZFIGSDGBWYBFM-GFCCVEGCSA-N -1 0 343.383 3.805 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000832069614 604138517 /nfs/dbraw/zinc/13/85/17/604138517.db2.gz MXAGMCQWKHRDSX-SWLSCSKDSA-N -1 0 329.400 3.524 20 0 EHADRM CC(C)(C)c1ncsc1C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000823869011 604139510 /nfs/dbraw/zinc/13/95/10/604139510.db2.gz GONGXJBBIJYIKN-UHFFFAOYSA-N -1 0 345.424 3.733 20 0 EHADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000825247593 604184609 /nfs/dbraw/zinc/18/46/09/604184609.db2.gz ZCOIPPFGHFSANN-MWLCHTKSSA-N -1 0 345.226 3.502 20 0 EHADRM CO[C@@H](C)c1nc(CNc2ccc([C@@H](C)NC(=O)[O-])cc2)cs1 ZINC000828835789 604201941 /nfs/dbraw/zinc/20/19/41/604201941.db2.gz ICPSQBFDGKJQTP-MNOVXSKESA-N -1 0 335.429 3.791 20 0 EHADRM C[C@@H](NC(=O)Cc1ccc(NC(=O)[O-])cc1)[C@@H](C)c1ccccc1 ZINC000825125697 604210710 /nfs/dbraw/zinc/21/07/10/604210710.db2.gz BFYLQADMMALIPK-ZIAGYGMSSA-N -1 0 326.396 3.627 20 0 EHADRM Cc1nc2ccccc2nc1CNc1cccc2c1CCN(C(=O)[O-])C2 ZINC000830793076 604216796 /nfs/dbraw/zinc/21/67/96/604216796.db2.gz LZACTEWZRXAUKB-UHFFFAOYSA-N -1 0 348.406 3.586 20 0 EHADRM Cc1ccc(NC(=O)N(C)C2CCC(NC(=O)[O-])CC2)cc1Cl ZINC000830377973 604240031 /nfs/dbraw/zinc/24/00/31/604240031.db2.gz ZXIZLFAQRIBCRY-UHFFFAOYSA-N -1 0 339.823 3.691 20 0 EHADRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)c2cccc(Cl)c2Cl)C1 ZINC000825243198 604259440 /nfs/dbraw/zinc/25/94/40/604259440.db2.gz CXUGLURVFHQMJY-ZJUUUORDSA-N -1 0 345.226 3.502 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CC[C@@H]2c2ccc(Cl)cc2)cc1F ZINC000833308539 604293918 /nfs/dbraw/zinc/29/39/18/604293918.db2.gz ALAXJHZXLPKHDJ-OAHLLOKOSA-N -1 0 333.746 3.765 20 0 EHADRM COc1ccc(C(C)(C)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000237160303 604300545 /nfs/dbraw/zinc/30/05/45/604300545.db2.gz LBGUVVHZRIVVSU-UHFFFAOYSA-N -1 0 327.380 3.618 20 0 EHADRM CCOc1cc(Cl)ccc1NC(=O)CCC(C)(C)NC(=O)[O-] ZINC000827417967 604315305 /nfs/dbraw/zinc/31/53/05/604315305.db2.gz HETKWDGOCPGKSV-UHFFFAOYSA-N -1 0 328.796 3.504 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NC(C1CCCC1)C1CCCC1 ZINC000738164847 604317741 /nfs/dbraw/zinc/31/77/41/604317741.db2.gz ZGUMJXTUUCARDP-UHFFFAOYSA-N -1 0 332.444 3.809 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)Nc2cc(C(=O)[O-])ccc2F)n1 ZINC000832967041 604321517 /nfs/dbraw/zinc/32/15/17/604321517.db2.gz AHVRJEYMNLQDLW-MRXNPFEDSA-N -1 0 343.358 3.596 20 0 EHADRM CCc1cc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)oc1CC ZINC000439895071 604329879 /nfs/dbraw/zinc/32/98/79/604329879.db2.gz AKPIBTWNICEAQF-HNNXBMFYSA-N -1 0 335.787 3.614 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)Nc2ccc(C(=O)[O-])cc2F)n1 ZINC000821112227 604335300 /nfs/dbraw/zinc/33/53/00/604335300.db2.gz KNZMYSCDOCZVCA-MRXNPFEDSA-N -1 0 343.358 3.596 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1cncc2ccccc21 ZINC000431793691 604351826 /nfs/dbraw/zinc/35/18/26/604351826.db2.gz HPXVHYVIXNBSPQ-UHFFFAOYSA-N -1 0 348.402 3.742 20 0 EHADRM C[C@H](CC(=O)NC(C)(C)c1cccs1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824605884 604357668 /nfs/dbraw/zinc/35/76/68/604357668.db2.gz LOICWWNRKZYOMA-OLZOCXBDSA-N -1 0 338.473 3.516 20 0 EHADRM CC(=O)c1ccc(Br)cc1OCc1ccoc1C(=O)[O-] ZINC000825946672 604369237 /nfs/dbraw/zinc/36/92/37/604369237.db2.gz KGCNEWRRVHYFDM-UHFFFAOYSA-N -1 0 339.141 3.522 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)/C=C/c1ccsc1)c1ccccc1 ZINC000826091103 604372752 /nfs/dbraw/zinc/37/27/52/604372752.db2.gz ZWFSLFJXQBYEFK-FDMDGMSGSA-N -1 0 329.421 3.730 20 0 EHADRM C[C@H](CC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])c1cccnc1 ZINC000827226732 604373492 /nfs/dbraw/zinc/37/34/92/604373492.db2.gz PPTIHHZCKKRPLU-KDOFPFPSSA-N -1 0 340.423 3.544 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000827593017 604375095 /nfs/dbraw/zinc/37/50/95/604375095.db2.gz YLQWXEZNFFEQJW-QAPCUYQASA-N -1 0 339.435 3.834 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)Cc1cccc(Cl)c1)c1ccccc1 ZINC000826089410 604382393 /nfs/dbraw/zinc/38/23/93/604382393.db2.gz KWDBMKWIUNJVPS-KRWDZBQOSA-N -1 0 345.826 3.851 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1cccc2ncccc21)c1ccccc1 ZINC000826106012 604385564 /nfs/dbraw/zinc/38/55/64/604385564.db2.gz PIPSQHZCHYXLFB-SFHVURJKSA-N -1 0 348.402 3.817 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1ccnn1C1CCCC1)c1ccccc1 ZINC000828594576 604389750 /nfs/dbraw/zinc/38/97/50/604389750.db2.gz DPGUHCYVTKHPCJ-INIZCTEOSA-N -1 0 341.411 3.508 20 0 EHADRM C[C@@H]1CCC[C@@H](OCC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000828244819 604392185 /nfs/dbraw/zinc/39/21/85/604392185.db2.gz DFRPNQFFPSPQMM-KYJSFNMBSA-N -1 0 347.455 3.550 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)Nc1ccc(CNc2ccccc2)cc1 ZINC000824144042 604412578 /nfs/dbraw/zinc/41/25/78/604412578.db2.gz RCHFFQINPCLBDG-KRWDZBQOSA-N -1 0 341.411 3.529 20 0 EHADRM Cc1cccc(C)c1CNC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000832964049 604420101 /nfs/dbraw/zinc/42/01/01/604420101.db2.gz DRPVLSFFNRNLRM-AWEZNQCLSA-N -1 0 343.448 3.799 20 0 EHADRM C[C@H](CCSc1ccccc1)OC(=O)c1ccc(C(=O)[O-])cn1 ZINC000827422070 604423824 /nfs/dbraw/zinc/42/38/24/604423824.db2.gz JSJMHVOXRHLIFC-GFCCVEGCSA-N -1 0 331.393 3.508 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)Cc1ccc(C)cc1 ZINC000829025681 604427739 /nfs/dbraw/zinc/42/77/39/604427739.db2.gz FEZSTTKHKLTEPN-GOSISDBHSA-N -1 0 325.408 3.602 20 0 EHADRM CC1(C)C[C@@H](NC(=O)Nc2ccc(CC(=O)[O-])cc2)c2ccccc21 ZINC000828055964 604451291 /nfs/dbraw/zinc/45/12/91/604451291.db2.gz KRYVEJGTUCZKBV-QGZVFWFLSA-N -1 0 338.407 3.858 20 0 EHADRM Cc1cc(F)c(C(=O)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1F ZINC000830054469 604455565 /nfs/dbraw/zinc/45/55/65/604455565.db2.gz BXZJERKNVBGOSQ-LLVKDONJSA-N -1 0 348.349 3.532 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(Nc2ccc(C(F)(F)F)nn2)cc1 ZINC000833418459 604460196 /nfs/dbraw/zinc/46/01/96/604460196.db2.gz IMOKKRGUQHKWRM-UHFFFAOYSA-N -1 0 325.290 3.601 20 0 EHADRM C/C(=C/CN(Cc1nnc(-c2ccccc2Cl)o1)C(C)C)C(=O)[O-] ZINC000833385697 604477550 /nfs/dbraw/zinc/47/75/50/604477550.db2.gz XDKHXHTVJCOOFI-WQLSENKSSA-N -1 0 349.818 3.631 20 0 EHADRM C[C@@H]1CSc2ccccc2N(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000833631983 604485073 /nfs/dbraw/zinc/48/50/73/604485073.db2.gz IAPRSZCEWSQJQS-BFHYXJOUSA-N -1 0 333.453 3.652 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000827653552 604486047 /nfs/dbraw/zinc/48/60/47/604486047.db2.gz QAWGSRGVKHXXQX-XJKSGUPXSA-N -1 0 332.444 3.694 20 0 EHADRM C[C@H](NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])c1ccccc1 ZINC000827659808 604493977 /nfs/dbraw/zinc/49/39/77/604493977.db2.gz UTMLBPLHKYDTDQ-WMLDXEAASA-N -1 0 340.423 3.899 20 0 EHADRM O=C([O-])c1csc(NC(=O)N[C@H]2CCc3c2cccc3Cl)c1 ZINC000833150682 604512641 /nfs/dbraw/zinc/51/26/41/604512641.db2.gz JLDDHTNEGBDHOV-LBPRGKRZSA-N -1 0 336.800 3.909 20 0 EHADRM CCS[C@@H]1CCCCN(C(=O)Nc2cc(C(=O)[O-])cs2)C1 ZINC000830164068 604514215 /nfs/dbraw/zinc/51/42/15/604514215.db2.gz PAWDKCSTNVIJAO-LLVKDONJSA-N -1 0 328.459 3.586 20 0 EHADRM CCS[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000830157978 604520952 /nfs/dbraw/zinc/52/09/52/604520952.db2.gz PYAAAPXWIOOYHQ-WDEREUQCSA-N -1 0 328.459 3.632 20 0 EHADRM CCN(Cc1ccoc1)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000829734460 604525125 /nfs/dbraw/zinc/52/51/25/604525125.db2.gz BRCWXMDKHOIMTC-MRXNPFEDSA-N -1 0 344.411 3.663 20 0 EHADRM CCOCCC1(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CCC1 ZINC000683312767 604527780 /nfs/dbraw/zinc/52/77/80/604527780.db2.gz JAWPMPRKTSGAEI-UHFFFAOYSA-N -1 0 325.792 3.574 20 0 EHADRM Cc1cccc(Oc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])c1[N+](=O)[O-] ZINC000327368391 604528433 /nfs/dbraw/zinc/52/84/33/604528433.db2.gz KRKCCHNUEJIQPJ-SOFGYWHQSA-N -1 0 344.279 3.702 20 0 EHADRM CC(C)c1ccc(NC(=O)N2CC[C@@H](NC(=O)[O-])C2)c(C(C)C)c1 ZINC000738874899 604532477 /nfs/dbraw/zinc/53/24/77/604532477.db2.gz DWQZZZKMHQBJBG-CQSZACIVSA-N -1 0 333.432 3.807 20 0 EHADRM O=C([O-])c1ccc(OC[C@H](O)c2cccc(Cl)c2)c(Cl)c1 ZINC000833781916 604534080 /nfs/dbraw/zinc/53/40/80/604534080.db2.gz JYXOPWZNXVUYOX-ZDUSSCGKSA-N -1 0 327.163 3.804 20 0 EHADRM C[C@@H]1CCCCCN1C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000828251357 604536145 /nfs/dbraw/zinc/53/61/45/604536145.db2.gz HUFVIAYBZQASDQ-GDBMZVCRSA-N -1 0 332.444 3.813 20 0 EHADRM CC(C)[C@H](C(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000833465193 604542058 /nfs/dbraw/zinc/54/20/58/604542058.db2.gz HYPPDBRHYQYRRA-SFHVURJKSA-N -1 0 329.371 3.831 20 0 EHADRM Cc1cc([C@H](C)OC(=O)CSc2ccccc2C)oc1C(=O)[O-] ZINC000832981426 604542842 /nfs/dbraw/zinc/54/28/42/604542842.db2.gz HDUDBDVLMNXKPB-LBPRGKRZSA-N -1 0 334.393 3.991 20 0 EHADRM CCCCn1ncc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1C ZINC000829447300 604544634 /nfs/dbraw/zinc/54/46/34/604544634.db2.gz LONKDBIZFKDNRI-UHFFFAOYSA-N -1 0 335.791 3.596 20 0 EHADRM CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(NC(=O)[O-])cc2)C12CCC2 ZINC000827378322 604548708 /nfs/dbraw/zinc/54/87/08/604548708.db2.gz GHCQPWBCYXLERW-HUUCEWRRSA-N -1 0 347.415 3.588 20 0 EHADRM Cc1cc([C@H](C)OC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)oc1C(=O)[O-] ZINC000832877543 604552944 /nfs/dbraw/zinc/55/29/44/604552944.db2.gz UKZHBRWSSPPIII-LEWSCRJBSA-N -1 0 332.327 3.833 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2cc(Cl)c(Cl)n2C)oc1C(=O)[O-] ZINC000832874745 604563245 /nfs/dbraw/zinc/56/32/45/604563245.db2.gz LBQLMQFJPNDOBF-SSDOTTSWSA-N -1 0 346.166 3.850 20 0 EHADRM CCc1c(C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)[nH]c(C)c1C(C)=O ZINC000830208854 604570032 /nfs/dbraw/zinc/57/00/32/604570032.db2.gz BAMPAUFBQMMMOX-LLVKDONJSA-N -1 0 347.367 3.606 20 0 EHADRM CCOc1ccc(CCC(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC000830071426 604571514 /nfs/dbraw/zinc/57/15/14/604571514.db2.gz VXBRINRKNBAXCM-CYBMUJFWSA-N -1 0 346.379 3.922 20 0 EHADRM COCc1cccc(C(=O)Nc2cccc(SCCC(=O)[O-])c2)c1 ZINC000833725668 604575476 /nfs/dbraw/zinc/57/54/76/604575476.db2.gz FFGYBUYLBANTNO-UHFFFAOYSA-N -1 0 345.420 3.652 20 0 EHADRM CCCn1c2ccccc2nc1CN(C)Cc1ccc(C(=O)[O-])cc1 ZINC000833653268 604576710 /nfs/dbraw/zinc/57/67/10/604576710.db2.gz XVHRVUPZDIEGHR-UHFFFAOYSA-N -1 0 337.423 3.777 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)c1cccc(Oc2ccccc2)c1 ZINC000263005744 604576985 /nfs/dbraw/zinc/57/69/85/604576985.db2.gz RPDNCRBKZLEYQJ-OAHLLOKOSA-N -1 0 325.364 3.558 20 0 EHADRM C[C@@H]1CCCN(C(=O)Nc2cccc(CSCC(=O)[O-])c2)[C@@H]1C ZINC000833614611 604587936 /nfs/dbraw/zinc/58/79/36/604587936.db2.gz QNJDSQRFDHWLKG-CHWSQXEVSA-N -1 0 336.457 3.657 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)C[C@H]2OCCc3ccccc32)oc1C(=O)[O-] ZINC000832874496 604587965 /nfs/dbraw/zinc/58/79/65/604587965.db2.gz KNNQDZUTMWNCJK-MLGOLLRUSA-N -1 0 344.363 3.595 20 0 EHADRM C[C@H]1CC[C@H](C)N(C(=O)Nc2cccc(SCCC(=O)[O-])c2)C1 ZINC000833601990 604590200 /nfs/dbraw/zinc/59/02/00/604590200.db2.gz GKUCIBLEFVYZSG-STQMWFEESA-N -1 0 336.457 3.906 20 0 EHADRM C[C@H](C(=O)Oc1cc2ccccc2cc1C(=O)[O-])C1CCOCC1 ZINC000833409290 604604189 /nfs/dbraw/zinc/60/41/89/604604189.db2.gz KTSGUDKLURSBPX-LBPRGKRZSA-N -1 0 328.364 3.506 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)c1 ZINC000833289204 604621873 /nfs/dbraw/zinc/62/18/73/604621873.db2.gz QHORZUNRWXMJIV-GVDBMIGSSA-N -1 0 337.379 3.626 20 0 EHADRM O=C([O-])c1cc(NC(=O)NCC2(Cc3ccccc3)CC2)ccc1F ZINC000833140586 604623623 /nfs/dbraw/zinc/62/36/23/604623623.db2.gz QQSUCKYJZSBTCJ-UHFFFAOYSA-N -1 0 342.370 3.668 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)Nc1ccccc1SC(F)(F)F ZINC000833214399 604624687 /nfs/dbraw/zinc/62/46/87/604624687.db2.gz SCDYJCXQALOXOZ-SECBINFHSA-N -1 0 348.346 3.770 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1-n1cccc1 ZINC000833214777 604631366 /nfs/dbraw/zinc/63/13/66/604631366.db2.gz WOICISCAFJHEHP-ZDUSSCGKSA-N -1 0 347.802 3.602 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000833214664 604634290 /nfs/dbraw/zinc/63/42/90/604634290.db2.gz VARWTZFKLYWAHO-INIZCTEOSA-N -1 0 346.427 3.617 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000833209182 604638534 /nfs/dbraw/zinc/63/85/34/604638534.db2.gz CDFJJQRQLSCPDX-SECBINFHSA-N -1 0 332.734 3.749 20 0 EHADRM O=C([O-])Nc1cccc(NCc2nc(-c3ccc(F)c(F)c3)no2)c1 ZINC000833288283 604644139 /nfs/dbraw/zinc/64/41/39/604644139.db2.gz BXOQUHGRFLKMOR-UHFFFAOYSA-N -1 0 346.293 3.717 20 0 EHADRM O=C([O-])Nc1cccc(NCc2cnc(-c3ccncc3)s2)c1 ZINC000833288296 604645521 /nfs/dbraw/zinc/64/55/21/604645521.db2.gz CIYCLZWEXCIOBP-UHFFFAOYSA-N -1 0 326.381 3.907 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000830518598 604646099 /nfs/dbraw/zinc/64/60/99/604646099.db2.gz GGDCLFHOUXPBSO-HNNXBMFYSA-N -1 0 349.431 3.612 20 0 EHADRM COc1ccc2oc(CN(C)[C@@H](C(=O)[O-])c3ccccc3)cc2c1 ZINC000833735137 604648551 /nfs/dbraw/zinc/64/85/51/604648551.db2.gz RKCZWVVIWHGLBN-GOSISDBHSA-N -1 0 325.364 3.699 20 0 EHADRM Cc1ccc(OCc2nc(-c3ccc(F)c(F)c3)no2)c(C(=O)[O-])c1 ZINC000832951478 604650095 /nfs/dbraw/zinc/65/00/95/604650095.db2.gz LKBIXGZLPQSTMJ-UHFFFAOYSA-N -1 0 346.289 3.600 20 0 EHADRM O=C([O-])CCCc1nc(CSCc2cc3ccccc3o2)no1 ZINC000833230651 604650256 /nfs/dbraw/zinc/65/02/56/604650256.db2.gz OLCRNECQXPTDPJ-UHFFFAOYSA-N -1 0 332.381 3.657 20 0 EHADRM CCS[C@H](C)c1noc(CNc2cccc3c2CCN3C(=O)[O-])n1 ZINC000827495779 604661224 /nfs/dbraw/zinc/66/12/24/604661224.db2.gz MQNKFYWFLGSBED-SNVBAGLBSA-N -1 0 348.428 3.536 20 0 EHADRM CCc1ccccc1C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000830276291 604667808 /nfs/dbraw/zinc/66/78/08/604667808.db2.gz FGMQFDOEJGVODM-QGZVFWFLSA-N -1 0 325.408 3.831 20 0 EHADRM CC(C)(C)c1ncc(CN2CCc3ccccc3[C@@H]2C(=O)[O-])s1 ZINC000833450790 604673340 /nfs/dbraw/zinc/67/33/40/604673340.db2.gz JHKWRRQUPXAZSY-OAHLLOKOSA-N -1 0 330.453 3.625 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000262104642 604676721 /nfs/dbraw/zinc/67/67/21/604676721.db2.gz DWMQQKBTPJBDKL-CHWSQXEVSA-N -1 0 343.345 3.555 20 0 EHADRM Cc1ccccc1[C@H](CC(C)C)NC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000832977115 604685265 /nfs/dbraw/zinc/68/52/65/604685265.db2.gz MPLCOKPFTYXNSU-RDJZCZTQSA-N -1 0 332.444 3.731 20 0 EHADRM CCc1cc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)oc1CC ZINC000192862515 604687577 /nfs/dbraw/zinc/68/75/77/604687577.db2.gz FAMRWKPBYWBHMP-HNNXBMFYSA-N -1 0 329.396 3.740 20 0 EHADRM O=C([O-])[C@H](OC(=O)Cc1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000833118063 604692453 /nfs/dbraw/zinc/69/24/53/604692453.db2.gz HEKLIVOMLONWGK-OAHLLOKOSA-N -1 0 340.709 3.530 20 0 EHADRM C[C@H](C(=O)OCC(=O)c1cccc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC000833409005 604707691 /nfs/dbraw/zinc/70/76/91/604707691.db2.gz HKBAXYXWCVJDCC-NSHDSACASA-N -1 0 346.766 3.568 20 0 EHADRM COCCn1c(C)c(C)nc1S[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000831800453 604710363 /nfs/dbraw/zinc/71/03/63/604710363.db2.gz OFNICFJRLMCOEU-GFCCVEGCSA-N -1 0 338.429 3.599 20 0 EHADRM C[C@H](Nc1cccc(C(=O)[O-])n1)c1cccc(OC(F)(F)F)c1 ZINC000833526827 604716600 /nfs/dbraw/zinc/71/66/00/604716600.db2.gz VZOZFOVEJVHIIK-VIFPVBQESA-N -1 0 326.274 3.852 20 0 EHADRM C[C@H](C(=O)N(C)C1(C(=O)[O-])CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000825972090 604717598 /nfs/dbraw/zinc/71/75/98/604717598.db2.gz KEWNRSGNRIFLLY-JTQLQIEISA-N -1 0 344.238 3.953 20 0 EHADRM C[C@H](CC(=O)N(C)[C@@H](C)c1cccs1)C1CCN(C(=O)[O-])CC1 ZINC000824551515 604720060 /nfs/dbraw/zinc/72/00/60/604720060.db2.gz LBTKJPFOJHOESG-OLZOCXBDSA-N -1 0 338.473 3.684 20 0 EHADRM C/C(=C\c1cccc(Cl)c1)C(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC000833386761 604725650 /nfs/dbraw/zinc/72/56/50/604725650.db2.gz RTQAUQOQUZPSPI-QSYFUGGGSA-N -1 0 335.812 3.747 20 0 EHADRM O=C([O-])CCc1csc(NC(=O)c2ccc3ccccc3c2)n1 ZINC000833244171 604735703 /nfs/dbraw/zinc/73/57/03/604735703.db2.gz VGIROYXCOCDLRY-UHFFFAOYSA-N -1 0 326.377 3.566 20 0 EHADRM CC(C)(NC(=O)CCc1ccccc1C(=O)[O-])c1cccc(F)c1 ZINC000262209117 604753339 /nfs/dbraw/zinc/75/33/39/604753339.db2.gz PMOJCMJZUJSXGZ-UHFFFAOYSA-N -1 0 329.371 3.508 20 0 EHADRM C[C@H]1CN(Cc2ccc(C(=O)[O-])cc2F)C[C@@H](c2ccsc2)O1 ZINC000833630341 604762017 /nfs/dbraw/zinc/76/20/17/604762017.db2.gz ROYKBOHZJKDHLM-ZBEGNZNMSA-N -1 0 335.400 3.547 20 0 EHADRM CCC(CC)CC(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000828854508 604782658 /nfs/dbraw/zinc/78/26/58/604782658.db2.gz ISQAZDGKLMTKDD-UHFFFAOYSA-N -1 0 332.444 3.614 20 0 EHADRM Cc1c(Cl)c(C(=O)[O-])nn1CN1CC=C(c2cccc(C)c2)CC1 ZINC000833752712 604796442 /nfs/dbraw/zinc/79/64/42/604796442.db2.gz SZTJYEBEQRWJLV-UHFFFAOYSA-N -1 0 345.830 3.598 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1F ZINC000833156277 604806948 /nfs/dbraw/zinc/80/69/48/604806948.db2.gz FTCBMFRMYMALGT-UHFFFAOYSA-N -1 0 343.232 3.675 20 0 EHADRM CSCCc1ccc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000832766467 604819468 /nfs/dbraw/zinc/81/94/68/604819468.db2.gz AARBCYDISUKRAB-UHFFFAOYSA-N -1 0 333.384 3.682 20 0 EHADRM CC(C)c1ncc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])s1 ZINC000190669200 604821599 /nfs/dbraw/zinc/82/15/99/604821599.db2.gz UCQSSINSPCFRSB-ZDUSSCGKSA-N -1 0 346.452 3.630 20 0 EHADRM Cc1ccc2cc(C(=O)N[C@@H](c3ccccc3)[C@@H](C)C(=O)[O-])ccc2n1 ZINC000832961739 604828968 /nfs/dbraw/zinc/82/89/68/604828968.db2.gz AWSRUSFBZAITQG-AUUYWEPGSA-N -1 0 348.402 3.735 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1F ZINC000833141713 604832339 /nfs/dbraw/zinc/83/23/39/604832339.db2.gz XXVZVGZEBCHSOY-MWLCHTKSSA-N -1 0 347.308 3.622 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CC[C@H](C)C2(CCC2)C1)C(=O)[O-] ZINC000833545074 604836296 /nfs/dbraw/zinc/83/62/96/604836296.db2.gz CZOCGOJTRXDPLA-KBPBESRZSA-N -1 0 347.480 3.904 20 0 EHADRM CCCCn1ncc(NC(=O)Nc2ccc(CCC(=O)[O-])cc2)c1C ZINC000829446941 604848709 /nfs/dbraw/zinc/84/87/09/604848709.db2.gz IMJFOQPUFZSQPA-UHFFFAOYSA-N -1 0 344.415 3.653 20 0 EHADRM CCc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000830228731 604856520 /nfs/dbraw/zinc/85/65/20/604856520.db2.gz CINWXQHQQAAADC-NSHDSACASA-N -1 0 344.338 3.515 20 0 EHADRM CC(C)c1ccc([C@H]2CCCN2C(=O)c2cccc(C(=O)[O-])n2)cc1 ZINC000833509762 604864571 /nfs/dbraw/zinc/86/45/71/604864571.db2.gz FKSHZCIVTAQCGT-GOSISDBHSA-N -1 0 338.407 3.881 20 0 EHADRM C/C(=C/C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1)C(C)(C)C ZINC000776688208 604870600 /nfs/dbraw/zinc/87/06/00/604870600.db2.gz MWXPJPMYBCMJQB-IUCKJTJTSA-N -1 0 327.783 3.713 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000387735242 604874222 /nfs/dbraw/zinc/87/42/22/604874222.db2.gz XBYXGLDFZMTKJN-SNVBAGLBSA-N -1 0 326.780 3.575 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)C1 ZINC000679105377 604878980 /nfs/dbraw/zinc/87/89/80/604878980.db2.gz NPAXHVKCLPJQLZ-VNQPRFMTSA-N -1 0 349.858 3.793 20 0 EHADRM Cc1cccc(-c2cncc(C(=O)Oc3ccc(CC(=O)[O-])cc3)c2)c1 ZINC000832961227 604879644 /nfs/dbraw/zinc/87/96/44/604879644.db2.gz PYGXXXUXBITLQQ-UHFFFAOYSA-N -1 0 347.370 3.903 20 0 EHADRM O=C([O-])c1ccc(C(=O)Oc2cccc(Br)c2)cc1F ZINC000833352940 604879694 /nfs/dbraw/zinc/87/96/94/604879694.db2.gz FGNGOMAPIYRMGB-UHFFFAOYSA-N -1 0 339.116 3.506 20 0 EHADRM O=C([O-])c1ccc(C(=O)Oc2ccc(Br)cc2)cc1F ZINC000833353507 604880394 /nfs/dbraw/zinc/88/03/94/604880394.db2.gz MWFYGEGFTPBHOF-UHFFFAOYSA-N -1 0 339.116 3.506 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cc3c(s2)CCCCC3)C1 ZINC000325342492 604883927 /nfs/dbraw/zinc/88/39/27/604883927.db2.gz JBBWPFGZHNQNEZ-CQSZACIVSA-N -1 0 349.496 3.980 20 0 EHADRM O=C([O-])[C@@H](OC(=O)[C@@H]1CCCc2sccc21)c1ccc(F)cc1 ZINC000833350398 604888227 /nfs/dbraw/zinc/88/82/27/604888227.db2.gz LCSOQOPCRDFHCG-HIFRSBDPSA-N -1 0 334.368 3.676 20 0 EHADRM Cc1cc(NC(=O)N2Cc3ccccc3C(F)(F)C2)ccc1C(=O)[O-] ZINC000832894592 604895676 /nfs/dbraw/zinc/89/56/76/604895676.db2.gz FCEBCXMGWNGZRH-UHFFFAOYSA-N -1 0 346.333 3.833 20 0 EHADRM CC(C)(C)c1ccc(CC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000833448633 604898382 /nfs/dbraw/zinc/89/83/82/604898382.db2.gz AKLJEQSPDTUIOB-KRWDZBQOSA-N -1 0 345.483 3.876 20 0 EHADRM Cc1c(C(=O)Nc2cncc(C(=O)[O-])c2)sc2cccc(F)c12 ZINC000390041142 604898776 /nfs/dbraw/zinc/89/87/76/604898776.db2.gz JVYHHFPBKWOMLH-UHFFFAOYSA-N -1 0 330.340 3.694 20 0 EHADRM CC(C)CC1(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)CCC1 ZINC000236666463 604900875 /nfs/dbraw/zinc/90/08/75/604900875.db2.gz LAZSLOWALORZHO-UHFFFAOYSA-N -1 0 339.819 3.958 20 0 EHADRM C[C@@H](CC(=O)N1CCCC[C@H]1CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000683325096 604910401 /nfs/dbraw/zinc/91/04/01/604910401.db2.gz MGAVDMXSBAYMPU-CJNGLKHVSA-N -1 0 337.847 3.765 20 0 EHADRM C[C@H](c1cccs1)N(C)C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC000833549207 604923556 /nfs/dbraw/zinc/92/35/56/604923556.db2.gz CHDCTFSCMNSWMV-SECBINFHSA-N -1 0 344.396 3.548 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)c1ccccc1 ZINC000833643620 604924239 /nfs/dbraw/zinc/92/42/39/604924239.db2.gz ZFPCPUXHUZSPSC-CQSZACIVSA-N -1 0 338.367 3.534 20 0 EHADRM Cc1ccc([C@@H](NC(=O)c2ccc(C(=O)[O-])c(F)c2)C2CC2)cc1 ZINC000832924543 604924542 /nfs/dbraw/zinc/92/45/42/604924542.db2.gz LTCWCQSLAHGHIE-QGZVFWFLSA-N -1 0 327.355 3.713 20 0 EHADRM CCC[C@@H](C)[C@H]1CCCN1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000829207988 604944664 /nfs/dbraw/zinc/94/46/64/604944664.db2.gz HERGDLVFARIDAP-CZUORRHYSA-N -1 0 334.416 3.583 20 0 EHADRM CCC[C@H](C)[C@H]1CCCN1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000829209894 604947040 /nfs/dbraw/zinc/94/70/40/604947040.db2.gz YDDSTBSCZLLAJF-XJKSGUPXSA-N -1 0 334.416 3.583 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N[C@H]2CCOC3(CCCCC3)C2)cc1 ZINC000833290192 604949567 /nfs/dbraw/zinc/94/95/67/604949567.db2.gz PMXUCPYCKBBSLC-HNNXBMFYSA-N -1 0 347.415 3.780 20 0 EHADRM C[C@@H]1C[C@H](C(=O)OCc2c3ccccc3sc2C(=O)[O-])CCC1=O ZINC000833588712 604952227 /nfs/dbraw/zinc/95/22/27/604952227.db2.gz JISSRIYONAAPDW-GHMZBOCLSA-N -1 0 346.404 3.648 20 0 EHADRM C[C@]1(NC(=O)c2ccc(F)cc2C(F)(F)F)CCCC[C@@H]1C(=O)[O-] ZINC000833566807 604958234 /nfs/dbraw/zinc/95/82/34/604958234.db2.gz AIXYXSJDCFNCNZ-ABAIWWIYSA-N -1 0 347.308 3.608 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccn2)cc1 ZINC000833494404 604971546 /nfs/dbraw/zinc/97/15/46/604971546.db2.gz PJPZOJGLEXYDHA-ZDUSSCGKSA-N -1 0 326.396 3.721 20 0 EHADRM CC(C)CCC[C@H](C)NC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000391116857 604973245 /nfs/dbraw/zinc/97/32/45/604973245.db2.gz GJDWJMMLGCMMBF-LSDHHAIUSA-N -1 0 326.481 3.734 20 0 EHADRM C[C@@H](CCNC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC000392686599 604982929 /nfs/dbraw/zinc/98/29/29/604982929.db2.gz OCKFZLCYHSWVNY-DOTOQJQBSA-N -1 0 346.471 3.713 20 0 EHADRM CC(C)CC1(CNC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)CCC1 ZINC000833479513 604988169 /nfs/dbraw/zinc/98/81/69/604988169.db2.gz HKGMGBIPOLPSKU-HNNXBMFYSA-N -1 0 338.492 3.735 20 0 EHADRM CCc1nc(NC(=O)CCCc2ccc(C)s2)sc1C(=O)[O-] ZINC000833675062 604996254 /nfs/dbraw/zinc/99/62/54/604996254.db2.gz ASOGGYTUOOCBDB-UHFFFAOYSA-N -1 0 338.454 3.735 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cc(-c3ccccc3F)no2)cc1F ZINC000833149996 604997274 /nfs/dbraw/zinc/99/72/74/604997274.db2.gz FNIHATQZOSAQNX-UHFFFAOYSA-N -1 0 344.273 3.570 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3)[nH]2)C1 ZINC000679102759 604997562 /nfs/dbraw/zinc/99/75/62/604997562.db2.gz GETXEXJDBSLCKR-HNNXBMFYSA-N -1 0 340.423 3.645 20 0 EHADRM CC(C)Sc1ccc([C@H](C)NC(=O)c2cncc(C(=O)[O-])c2)cc1 ZINC000630116582 605029933 /nfs/dbraw/zinc/02/99/33/605029933.db2.gz SMJRQGMORLAIII-LBPRGKRZSA-N -1 0 344.436 3.771 20 0 EHADRM CCC[C@@H](C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)C(C)C ZINC000833648597 605030530 /nfs/dbraw/zinc/03/05/30/605030530.db2.gz UPIBGRAKBHTJOP-GFCCVEGCSA-N -1 0 327.808 3.814 20 0 EHADRM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)c1cncc(C(=O)[O-])c1 ZINC000630121941 605030715 /nfs/dbraw/zinc/03/07/15/605030715.db2.gz VJXCBTRJODSCGR-AWEZNQCLSA-N -1 0 338.407 3.783 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)OCc1cnc(-c2ccccc2)s1 ZINC000833455160 605032692 /nfs/dbraw/zinc/03/26/92/605032692.db2.gz LKGFODDCIZGIIX-UHFFFAOYSA-N -1 0 333.409 3.744 20 0 EHADRM C[C@H](OC(=O)CC(C)(C)CC(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000833530904 605034898 /nfs/dbraw/zinc/03/48/98/605034898.db2.gz VONCBWULZDYOOL-JTQLQIEISA-N -1 0 330.327 3.783 20 0 EHADRM CC(C)c1cc(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)no1 ZINC000833509265 605046409 /nfs/dbraw/zinc/04/64/09/605046409.db2.gz IFBMJFSDJDABNT-UHFFFAOYSA-N -1 0 337.401 3.503 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)O[C@H](C)c1ccc(F)cc1Cl ZINC000833485044 605054961 /nfs/dbraw/zinc/05/49/61/605054961.db2.gz XJVICJUBTIQNSK-RNCFNFMXSA-N -1 0 331.771 3.766 20 0 EHADRM CCCN(C(=O)C1CCC(C(=O)[O-])CC1)[C@H](C)c1ccccc1OC ZINC000833651576 605085061 /nfs/dbraw/zinc/08/50/61/605085061.db2.gz QEQIPLAITXRJKF-QQFBHYJXSA-N -1 0 347.455 3.886 20 0 EHADRM CC(C)CC(=O)Nc1ccc(NC(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000194388594 605098076 /nfs/dbraw/zinc/09/80/76/605098076.db2.gz UOTVXFDTOZIJBU-UHFFFAOYSA-N -1 0 346.427 3.501 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2ccc(OC3CCCC3)cc2)CC1 ZINC000194390398 605101840 /nfs/dbraw/zinc/10/18/40/605101840.db2.gz HNBSFJRPMKJNJT-UHFFFAOYSA-N -1 0 331.412 3.838 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc2nc(C3CC3)oc2c1)C(=O)[O-] ZINC000424385847 605102815 /nfs/dbraw/zinc/10/28/15/605102815.db2.gz UZBDESYLYCHURY-UHFFFAOYSA-N -1 0 345.399 3.718 20 0 EHADRM C[C@H]1CC[C@H](NC(=O)N2CCC(CC(=O)[O-])CC2)c2ccccc21 ZINC000833604043 605127440 /nfs/dbraw/zinc/12/74/40/605127440.db2.gz PWCYOUMAVKGZEW-GUYCJALGSA-N -1 0 330.428 3.521 20 0 EHADRM C[C@@H](C(=O)Oc1ccccc1C(=O)[O-])c1ccc(Br)cc1 ZINC000833409895 605147115 /nfs/dbraw/zinc/14/71/15/605147115.db2.gz TUESVBKGXKYKAY-SNVBAGLBSA-N -1 0 349.180 3.856 20 0 EHADRM Cc1nc(C2CCCCC2)sc1C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000833755417 605147708 /nfs/dbraw/zinc/14/77/08/605147708.db2.gz MDRRQLYQTSNRLB-ZDUSSCGKSA-N -1 0 336.457 3.579 20 0 EHADRM CC(C)(C)C[C@H](Sc1n[nH]c(C=Cc2ccccc2)n1)C(=O)[O-] ZINC000833429847 605149964 /nfs/dbraw/zinc/14/99/64/605149964.db2.gz PPHWRLRZAZYRER-LXKVQUBZSA-N -1 0 331.441 3.957 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1Cl)C(=O)[O-] ZINC000833424321 605150399 /nfs/dbraw/zinc/15/03/99/605150399.db2.gz QZVABXMXSJIVLL-JTQLQIEISA-N -1 0 337.725 3.588 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C(=O)[O-])c2ccccc2)c1C(C)C ZINC000833400684 605159246 /nfs/dbraw/zinc/15/92/46/605159246.db2.gz MTZHPPYEVDXDBA-QGZVFWFLSA-N -1 0 343.379 3.632 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2cccc([C@@H]3CCCOC3)c2)c1 ZINC000668283837 605165962 /nfs/dbraw/zinc/16/59/62/605165962.db2.gz YSFNFOXOGUPYJI-CYBMUJFWSA-N -1 0 331.393 3.593 20 0 EHADRM CC1(CNC(=O)Nc2ccc(CNC(=O)[O-])cc2)CCCCCC1 ZINC000833564251 605167260 /nfs/dbraw/zinc/16/72/60/605167260.db2.gz VTRMOEFNHSRHHL-UHFFFAOYSA-N -1 0 333.432 3.936 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NCc1nc(C2CCCC2)no1)c1ccccc1 ZINC000833412488 605184670 /nfs/dbraw/zinc/18/46/70/605184670.db2.gz AMVSODZSIRGROF-MRXNPFEDSA-N -1 0 343.427 3.669 20 0 EHADRM CC[C@H](C)Oc1cc(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)ccn1 ZINC000833641295 605204831 /nfs/dbraw/zinc/20/48/31/605204831.db2.gz UMDAPNHELRQOPI-NSHDSACASA-N -1 0 339.351 3.674 20 0 EHADRM COc1ccc(CC[C@H](C)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000833731529 605219673 /nfs/dbraw/zinc/21/96/73/605219673.db2.gz HQJMMHCVHDZVMX-AWEZNQCLSA-N -1 0 328.412 3.896 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1 ZINC000190628266 605222865 /nfs/dbraw/zinc/22/28/65/605222865.db2.gz AMXXOWRTKMERGN-UHFFFAOYSA-N -1 0 329.400 3.660 20 0 EHADRM O=C([O-])N1CCc2cccc(CNc3ccc(-n4cccn4)cc3)c21 ZINC000832087746 605238407 /nfs/dbraw/zinc/23/84/07/605238407.db2.gz ZJFNRSMMERPGFG-UHFFFAOYSA-N -1 0 334.379 3.525 20 0 EHADRM O=C([O-])N1CCC(Nc2ccccc2COCc2ccccc2)CC1 ZINC000831969314 605238502 /nfs/dbraw/zinc/23/85/02/605238502.db2.gz LFQBNGVFTNPIEZ-UHFFFAOYSA-N -1 0 340.423 3.958 20 0 EHADRM CCCOc1cccc(CC(=O)Nc2cc(NC(=O)[O-])ccc2F)c1 ZINC000826939527 605239132 /nfs/dbraw/zinc/23/91/32/605239132.db2.gz NQVVAKKFFPJCHT-UHFFFAOYSA-N -1 0 346.358 3.886 20 0 EHADRM CC(C)C[C@@H]1C[C@H](NC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)CCO1 ZINC000833484251 605239367 /nfs/dbraw/zinc/23/93/67/605239367.db2.gz UREUXOOIKGXRLA-GDBMZVCRSA-N -1 0 349.431 3.516 20 0 EHADRM CCC(CC)n1ccc(C(=O)Nc2ccc(NC(=O)[O-])c(OC)c2)n1 ZINC000826576629 605240538 /nfs/dbraw/zinc/24/05/38/605240538.db2.gz VZKCOCDIHOXDON-UHFFFAOYSA-N -1 0 346.387 3.595 20 0 EHADRM Cc1nc(-c2ccc(NC[C@H]3CCCN(C(=O)[O-])C3)cc2)oc1C ZINC000830685614 605248612 /nfs/dbraw/zinc/24/86/12/605248612.db2.gz IRCRATAKOPVXHR-CQSZACIVSA-N -1 0 329.400 3.760 20 0 EHADRM C[C@H]1CCC[C@H](OCCCCCC(=O)Nc2ccc(C(=O)[O-])nc2)C1 ZINC000833607847 605250540 /nfs/dbraw/zinc/25/05/40/605250540.db2.gz JFDLLFKXKXSEII-HOCLYGCPSA-N -1 0 348.443 3.874 20 0 EHADRM CC(C)COc1ccc([C@@H](C)NC(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000236648402 605264168 /nfs/dbraw/zinc/26/41/68/605264168.db2.gz WLKVNNOQFBTSSM-CQSZACIVSA-N -1 0 335.444 3.790 20 0 EHADRM Cc1nc(C)c(CN[C@@H](C(=O)[O-])c2ccc3ccccc3c2)s1 ZINC000833754973 605273008 /nfs/dbraw/zinc/27/30/08/605273008.db2.gz SCHMQYPKOFXPQS-QGZVFWFLSA-N -1 0 326.421 3.829 20 0 EHADRM CC(C)Oc1ccccc1CC(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833507240 605275115 /nfs/dbraw/zinc/27/51/15/605275115.db2.gz CPWHWEIMJDLQRH-UHFFFAOYSA-N -1 0 346.358 3.884 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)Nc2ccc(NC(=O)[O-])c(F)c2)o1 ZINC000833603739 605283939 /nfs/dbraw/zinc/28/39/39/605283939.db2.gz HRGIJFHMBHAMOQ-SKDRFNHKSA-N -1 0 347.346 3.954 20 0 EHADRM COCCC[C@@H](C)C(=O)Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1 ZINC000833724275 605287902 /nfs/dbraw/zinc/28/79/02/605287902.db2.gz AQYVOEPBAPSWNW-LLVKDONJSA-N -1 0 348.424 3.510 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)CCCc1ccsc1)c1ccccc1 ZINC000833413306 605298623 /nfs/dbraw/zinc/29/86/23/605298623.db2.gz ZCIDTEKBLWKPIJ-SUMWQHHRSA-N -1 0 331.437 3.649 20 0 EHADRM C[C@@]1(NC(=O)CC2CCC(C(F)(F)F)CC2)CCCC[C@H]1C(=O)[O-] ZINC000262920822 605299686 /nfs/dbraw/zinc/29/96/86/605299686.db2.gz ZHYSJQKHYMTLRF-GAWYNMALSA-N -1 0 349.393 3.895 20 0 EHADRM CC(C)Oc1ccccc1C(=O)OCc1ccc(NC(=O)[O-])cc1 ZINC000833507615 605303788 /nfs/dbraw/zinc/30/37/88/605303788.db2.gz XJTZDVVMYWZBAP-UHFFFAOYSA-N -1 0 329.352 3.921 20 0 EHADRM C[C@@H](SCc1ccc(Br)c2cccnc12)C(=O)[O-] ZINC000833543853 605335920 /nfs/dbraw/zinc/33/59/20/605335920.db2.gz XLQKSXVGMJJWIL-MRVPVSSYSA-N -1 0 326.215 3.704 20 0 EHADRM Cc1cc(NC(=O)c2cccc(NC(=O)[O-])c2)nn1[C@H](C)C1CC1 ZINC000833900447 605342423 /nfs/dbraw/zinc/34/24/23/605342423.db2.gz KSZARWUSBOLSMC-LLVKDONJSA-N -1 0 328.372 3.505 20 0 EHADRM CCc1nc([C@H](C)N[C@@H](C(=O)[O-])c2c(F)cccc2Cl)cs1 ZINC000833673222 605359118 /nfs/dbraw/zinc/35/91/18/605359118.db2.gz IKIQCTTUDJISSP-RMLUDKJBSA-N -1 0 342.823 3.975 20 0 EHADRM COc1ccc(NC(=O)[C@@H]2CCCc3sccc32)cc1NC(=O)[O-] ZINC000829446709 605365398 /nfs/dbraw/zinc/36/53/98/605365398.db2.gz BSLGZXOWHVMXMN-GFCCVEGCSA-N -1 0 346.408 3.905 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)Nc1ccnc(Cl)c1)c1ccccc1 ZINC000833411476 605399279 /nfs/dbraw/zinc/39/92/79/605399279.db2.gz CFYSHQCYWBRIOZ-CQSZACIVSA-N -1 0 347.802 3.709 20 0 EHADRM COc1cccc2[nH]cc(Cc3nc(-c4cccc(C(=O)[O-])c4)no3)c21 ZINC000833735513 605418508 /nfs/dbraw/zinc/41/85/08/605418508.db2.gz DVXVJHKFMREAAB-UHFFFAOYSA-N -1 0 349.346 3.516 20 0 EHADRM CN(Cc1cc2ccccc2o1)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000833694233 605441860 /nfs/dbraw/zinc/44/18/60/605441860.db2.gz LNBBMXPJJAYFNR-UHFFFAOYSA-N -1 0 344.411 3.609 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000833748218 605450675 /nfs/dbraw/zinc/45/06/75/605450675.db2.gz DYAGRGQWPCIQDG-DOTOQJQBSA-N -1 0 337.419 3.779 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000192869736 605454982 /nfs/dbraw/zinc/45/49/82/605454982.db2.gz DLPSFCMOGHHLDU-FRQCXROJSA-N -1 0 339.435 3.752 20 0 EHADRM CN(C(=O)c1ccccc1C(C)(C)C)c1ccc(OCC(=O)[O-])cc1 ZINC000263022082 605462345 /nfs/dbraw/zinc/46/23/45/605462345.db2.gz MGDTVYSFPVBBIZ-UHFFFAOYSA-N -1 0 341.407 3.724 20 0 EHADRM C[C@@H](OC(=O)[C@H](C)NC(=O)[O-])c1ccc(SC(F)(F)F)cc1 ZINC000833531898 605488461 /nfs/dbraw/zinc/48/84/61/605488461.db2.gz FZNOMCLSKBEAJV-JGVFFNPUSA-N -1 0 337.319 3.559 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)cc1 ZINC000833748605 605498296 /nfs/dbraw/zinc/49/82/96/605498296.db2.gz PMDRDONSNVYOOC-LBPRGKRZSA-N -1 0 344.436 3.524 20 0 EHADRM CN(C(=O)[O-])c1ccc(NCC(C)(C)NC(=O)OC(C)(C)C)cc1 ZINC000833686128 605508114 /nfs/dbraw/zinc/50/81/14/605508114.db2.gz YIOLDIQUKKNZEP-UHFFFAOYSA-N -1 0 337.420 3.516 20 0 EHADRM CC(C)c1ncc(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])s1 ZINC000824495666 605529543 /nfs/dbraw/zinc/52/95/43/605529543.db2.gz PENVRSVBCPLZQW-UHFFFAOYSA-N -1 0 331.397 3.559 20 0 EHADRM O=C([O-])Nc1ccc(Cc2nc(C(=O)OCC3CCC3)cs2)cc1 ZINC000834260803 605591651 /nfs/dbraw/zinc/59/16/51/605591651.db2.gz ZOAVQKMNCMTZLU-UHFFFAOYSA-N -1 0 346.408 3.781 20 0 EHADRM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000833606785 605631841 /nfs/dbraw/zinc/63/18/41/605631841.db2.gz VULMQDTYURPOLJ-ONGXEEELSA-N -1 0 330.306 3.580 20 0 EHADRM O=C([O-])N1[C@@H]2CC[C@H]1CN(C(=O)Nc1csc3ccccc13)CC2 ZINC000834059011 605635140 /nfs/dbraw/zinc/63/51/40/605635140.db2.gz SELFMHPXGCIYMN-NEPJUHHUSA-N -1 0 345.424 3.650 20 0 EHADRM Cc1csc(C2(NC(=O)c3ccc(NC(=O)[O-])c(C)c3)CCC2)n1 ZINC000830661128 605693709 /nfs/dbraw/zinc/69/37/09/605693709.db2.gz REMSZSOWMNYQIV-UHFFFAOYSA-N -1 0 345.424 3.659 20 0 EHADRM Cc1cc(C(=O)N2CC[C@@H](Cc3ccccc3)C2)ccc1NC(=O)[O-] ZINC000829919508 605699669 /nfs/dbraw/zinc/69/96/69/605699669.db2.gz MLTLYQMLVBQJAR-INIZCTEOSA-N -1 0 338.407 3.790 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N1CCC(c2ccccc2F)CC1 ZINC000740041528 605701047 /nfs/dbraw/zinc/70/10/47/605701047.db2.gz RXHOHDQRFPVCBW-UHFFFAOYSA-N -1 0 342.370 3.935 20 0 EHADRM Cc1ccc(NC(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)c(C)c1O ZINC000833904425 605708989 /nfs/dbraw/zinc/70/89/89/605708989.db2.gz DGKWDCCESAFVLS-MRXNPFEDSA-N -1 0 342.395 3.737 20 0 EHADRM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000833605808 605711355 /nfs/dbraw/zinc/71/13/55/605711355.db2.gz LCFRMYGTAMHDST-WCBMZHEXSA-N -1 0 348.296 3.719 20 0 EHADRM COc1ccc(CNC(=O)c2ccc(NC(=O)[O-])c(C)c2)cc1Cl ZINC000829388878 605713621 /nfs/dbraw/zinc/71/36/21/605713621.db2.gz DFMUXUFBTHHGIZ-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000833604090 605716033 /nfs/dbraw/zinc/71/60/33/605716033.db2.gz CVQJGTFKUFXWEP-RKDXNWHRSA-N -1 0 348.296 3.719 20 0 EHADRM Cc1noc(C)c1[C@H](C)Cc1nc([C@@H]2CCCCCN2C(=O)[O-])no1 ZINC000833926974 605719930 /nfs/dbraw/zinc/71/99/30/605719930.db2.gz AKKHCZHYDWVQJY-MFKMUULPSA-N -1 0 348.403 3.616 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000834265424 605770058 /nfs/dbraw/zinc/77/00/58/605770058.db2.gz OJRCULYGHBAEDH-IBGZPJMESA-N -1 0 328.412 3.668 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)Nc2ccc(F)cc2NC2CC2)cc1 ZINC000832841841 605787247 /nfs/dbraw/zinc/78/72/47/605787247.db2.gz PBXUPVCRWZZMMA-UHFFFAOYSA-N -1 0 343.358 3.671 20 0 EHADRM COc1ccc2sc(C(=O)N3CCCCC[C@@H]3C(=O)[O-])c(C)c2c1 ZINC000833735348 605794637 /nfs/dbraw/zinc/79/46/37/605794637.db2.gz WWIRQHNMVUMHNL-CQSZACIVSA-N -1 0 347.436 3.688 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC000833385078 605803185 /nfs/dbraw/zinc/80/31/85/605803185.db2.gz FXPNCSSDTHHCRR-FLIBITNWSA-N -1 0 332.302 3.601 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)[C@H]2CCCc3sccc32)c(F)c1 ZINC000833777008 605803198 /nfs/dbraw/zinc/80/31/98/605803198.db2.gz WFVDFQVEZCXRDC-LBPRGKRZSA-N -1 0 334.368 3.540 20 0 EHADRM C/C(=C\C(=O)Oc1ccc(CC(=O)[O-])cc1F)c1ccc(F)cc1 ZINC000833381442 605803589 /nfs/dbraw/zinc/80/35/89/605803589.db2.gz BVZOJSMOPICVPX-DHZHZOJOSA-N -1 0 332.302 3.601 20 0 EHADRM CN(CCOC(C)(C)C)C(=O)c1cc2ccccc2cc1NC(=O)[O-] ZINC000828337187 605803810 /nfs/dbraw/zinc/80/38/10/605803810.db2.gz OCPNIQIRCQGIHC-UHFFFAOYSA-N -1 0 344.411 3.817 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)Nc2ccc3ncsc3c2)c1 ZINC000834266577 605804033 /nfs/dbraw/zinc/80/40/33/605804033.db2.gz OXVRCMHLTRNMOK-UHFFFAOYSA-N -1 0 327.365 3.567 20 0 EHADRM CC(C)[C@@H](C(=O)Oc1ccc(CC(=O)[O-])cc1F)c1ccccc1 ZINC000833466033 605804306 /nfs/dbraw/zinc/80/43/06/605804306.db2.gz PZZYIWPRCBJZMR-GOSISDBHSA-N -1 0 330.355 3.798 20 0 EHADRM O=C([O-])c1ccc(F)c(COC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)c1 ZINC000833781059 605810105 /nfs/dbraw/zinc/81/01/05/605810105.db2.gz OSTCTBFSLOYXLI-CABCVRRESA-N -1 0 332.302 3.510 20 0 EHADRM C[C@@H](OCc1ccccc1)C(=O)OCc1cc(C(=O)[O-])ccc1Cl ZINC000833535245 605810622 /nfs/dbraw/zinc/81/06/22/605810622.db2.gz FJLWWRNOZFUUEG-GFCCVEGCSA-N -1 0 348.782 3.687 20 0 EHADRM Cc1cc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)ccc1NC(=O)[O-] ZINC000829939684 605876327 /nfs/dbraw/zinc/87/63/27/605876327.db2.gz GOYQMYQSVQKRER-NWDGAFQWSA-N -1 0 344.333 3.936 20 0 EHADRM Cn1nc(C2CCCC2)cc1NCc1cccc2c1N(C(=O)[O-])CC2 ZINC000833959477 605897485 /nfs/dbraw/zinc/89/74/85/605897485.db2.gz WJTIDCGVXJHVGC-UHFFFAOYSA-N -1 0 340.427 3.730 20 0 EHADRM O=C([O-])NCCCCC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000834236304 605917712 /nfs/dbraw/zinc/91/77/12/605917712.db2.gz MWHUCQQETSNNDH-QGZVFWFLSA-N -1 0 336.407 3.611 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)c1cc(F)c(Cl)cc1F ZINC000834273897 605924139 /nfs/dbraw/zinc/92/41/39/605924139.db2.gz CIRLCKVXHIFWIN-UHFFFAOYSA-N -1 0 326.686 3.960 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N2CC[C@@H]2Cc2ccccc2)cc1 ZINC000834262997 605927859 /nfs/dbraw/zinc/92/78/59/605927859.db2.gz PHSMADYAZAINSS-MRXNPFEDSA-N -1 0 325.368 3.625 20 0 EHADRM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)CCCCNC(=O)[O-] ZINC000833912319 605928335 /nfs/dbraw/zinc/92/83/35/605928335.db2.gz GWUDYXXHDRNIMX-GFCCVEGCSA-N -1 0 341.477 3.532 20 0 EHADRM O=C([O-])NC1CCC(NC(=O)Nc2cccc3ccsc32)CC1 ZINC000834162631 605941170 /nfs/dbraw/zinc/94/11/70/605941170.db2.gz ALYPSAJURGSJEH-UHFFFAOYSA-N -1 0 333.413 3.602 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N2CC=C(c3ccccc3)C2)c1 ZINC000834262067 605972056 /nfs/dbraw/zinc/97/20/56/605972056.db2.gz QIVKAFCZAOTWAG-UHFFFAOYSA-N -1 0 341.342 3.847 20 0 EHADRM O=C([O-])N1CCC(CCC(=O)N2CCC[C@@H]2c2ccsc2)CC1 ZINC000834073369 606012831 /nfs/dbraw/zinc/01/28/31/606012831.db2.gz CTCJPEYAVRIQFM-OAHLLOKOSA-N -1 0 336.457 3.582 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCCC[C@@H]1CCCC[C@H]1O ZINC000833907174 606012832 /nfs/dbraw/zinc/01/28/32/606012832.db2.gz YZLVUEFLYLVJID-XJKSGUPXSA-N -1 0 349.431 3.538 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)Nc1nc2ccccc2s1 ZINC000834274607 606043173 /nfs/dbraw/zinc/04/31/73/606043173.db2.gz UTHRKSJRHYSACV-UHFFFAOYSA-N -1 0 327.365 3.567 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)Nc1ccccc1OC(F)F ZINC000834272794 606044785 /nfs/dbraw/zinc/04/47/85/606044785.db2.gz FTTHQVWNQBVVST-UHFFFAOYSA-N -1 0 336.294 3.559 20 0 EHADRM O=C([O-])Nc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(F)n1 ZINC000834255428 606054752 /nfs/dbraw/zinc/05/47/52/606054752.db2.gz JFFLRGSGNGYTQO-UHFFFAOYSA-N -1 0 343.236 3.582 20 0 EHADRM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000834162529 606070752 /nfs/dbraw/zinc/07/07/52/606070752.db2.gz ZDDQJTYQYRFXBK-AWPSPAQISA-N -1 0 348.487 3.773 20 0 EHADRM Cc1ccc(Oc2snc(Cl)c2-c2nnn[n-]2)c(Cl)c1 ZINC000826292581 608185348 /nfs/dbraw/zinc/18/53/48/608185348.db2.gz BMTUMUSZPXCOHD-UHFFFAOYSA-N -1 0 328.184 3.731 20 0 EHADRM O=C(/C=C/c1cccs1)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000191487653 939038464 /nfs/dbraw/zinc/03/84/64/939038464.db2.gz XUWKXKZDNPANHH-QZEKMECESA-N -1 0 337.400 3.857 20 0 EHADRM CCO[C@H]1C[C@](NC(=O)CCCC2CCCCC2)(C(=O)[O-])C1(C)C ZINC000193049179 939041277 /nfs/dbraw/zinc/04/12/77/939041277.db2.gz VUVIYLWQYQPEHH-KXBFYZLASA-N -1 0 339.476 3.512 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)NC1(C(=O)[O-])CCC(C)CC1 ZINC000236824413 939044884 /nfs/dbraw/zinc/04/48/84/939044884.db2.gz TVXCUUCZNTVKIE-UHFFFAOYSA-N -1 0 329.396 3.813 20 0 EHADRM O=C([O-])[C@H](NC(=O)CSCc1ccc(Cl)cc1)c1ccccc1 ZINC000238017310 939054542 /nfs/dbraw/zinc/05/45/42/939054542.db2.gz STADZBDYQQIECR-MRXNPFEDSA-N -1 0 349.839 3.515 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000238019844 939055175 /nfs/dbraw/zinc/05/51/75/939055175.db2.gz WQSBZBAETDZJJK-IBGZPJMESA-N -1 0 331.371 3.909 20 0 EHADRM Cc1cc(/C=C\C(=O)N[C@@H](C(=O)[O-])C2CC2)c(C)n1C1CCCCC1 ZINC000767041822 939086351 /nfs/dbraw/zinc/08/63/51/939086351.db2.gz QGNIKSSXNKCQHK-OEIFXAAASA-N -1 0 344.455 3.603 20 0 EHADRM C[C@@H](CC(=O)N[C@](C)(C(=O)[O-])c1ccc(F)cc1)c1ccccc1F ZINC000263124566 939101883 /nfs/dbraw/zinc/10/18/83/939101883.db2.gz GZXRRWSKSSUNNI-BUXKBTBVSA-N -1 0 347.361 3.575 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2cc(F)ccc2s1)c1ccccc1 ZINC000321935310 939124065 /nfs/dbraw/zinc/12/40/65/939124065.db2.gz DEPMBNPGOLUPAU-OAHLLOKOSA-N -1 0 329.352 3.596 20 0 EHADRM O=C([O-])C1(NC(=O)N[C@H]2CCCc3sccc32)CCCCCC1 ZINC000321254700 939124306 /nfs/dbraw/zinc/12/43/06/939124306.db2.gz RBDMWXUFXRJGGD-ZDUSSCGKSA-N -1 0 336.457 3.602 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2cccc(Oc3ccccc3)c2)CCCC1 ZINC000326666421 939126915 /nfs/dbraw/zinc/12/69/15/939126915.db2.gz JCEOIFWSBJQLFE-UHFFFAOYSA-N -1 0 340.379 3.998 20 0 EHADRM Cc1[nH]c2ccc(C(=O)N[C@](C)(C(=O)[O-])c3ccccc3)cc2c1C ZINC000327416862 939127470 /nfs/dbraw/zinc/12/74/70/939127470.db2.gz NPENWDNHEYNAGC-FQEVSTJZSA-N -1 0 336.391 3.515 20 0 EHADRM C[C@](NC(=O)Nc1cccc(C(F)F)c1)(C(=O)[O-])c1ccccc1 ZINC000386246249 939132637 /nfs/dbraw/zinc/13/26/37/939132637.db2.gz QFTDTAVEQUHVBE-QGZVFWFLSA-N -1 0 334.322 3.746 20 0 EHADRM CC[C@H](NC(=O)NC1(C(=O)[O-])CCCCC1)c1ccc(Cl)s1 ZINC000780573054 939135275 /nfs/dbraw/zinc/13/52/75/939135275.db2.gz IFZCXZBIUNPCRR-JTQLQIEISA-N -1 0 344.864 3.939 20 0 EHADRM C[C@](NC(=O)c1cc2c(cccc2F)s1)(C(=O)[O-])c1ccccc1 ZINC000392050054 939136855 /nfs/dbraw/zinc/13/68/55/939136855.db2.gz UJQXJMJISUUATQ-GOSISDBHSA-N -1 0 343.379 3.770 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC000425245105 939141764 /nfs/dbraw/zinc/14/17/64/939141764.db2.gz TYEJVGJTELVCHV-XJKSGUPXSA-N -1 0 331.437 3.567 20 0 EHADRM CC1CCC(NC(=O)c2cccc(-c3ccoc3)c2)(C(=O)[O-])CC1 ZINC000431790853 939158259 /nfs/dbraw/zinc/15/82/59/939158259.db2.gz ZTVDLNNSUIKISS-UHFFFAOYSA-N -1 0 327.380 3.710 20 0 EHADRM Cc1ccccc1CC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000431862760 939163612 /nfs/dbraw/zinc/16/36/12/939163612.db2.gz BRPDJAGQHOMJRM-HXUWFJFHSA-N -1 0 333.387 3.633 20 0 EHADRM CC[C@H](CC(=O)N[C@@H](C(=O)[O-])c1cccs1)c1ccc(OC)cc1 ZINC000448994725 939206244 /nfs/dbraw/zinc/20/62/44/939206244.db2.gz PEHSUQZJKIHEDA-SJKOYZFVSA-N -1 0 347.436 3.583 20 0 EHADRM O=C([O-])[C@@H](NC(=O)C[C@@H]1C=CCC1)c1ccc(Cl)cc1Cl ZINC000449001372 939207351 /nfs/dbraw/zinc/20/73/51/939207351.db2.gz KQRPCCCZCQQALB-OTYXRUKQSA-N -1 0 328.195 3.592 20 0 EHADRM CC[C@@](NC(=O)CCc1ccccc1Cl)(C(=O)[O-])c1ccccc1 ZINC000485358000 939225781 /nfs/dbraw/zinc/22/57/81/939225781.db2.gz MUGFGYZHVXYXHX-IBGZPJMESA-N -1 0 345.826 3.779 20 0 EHADRM CC[C@](NC(=O)Nc1ccc(C)c(F)c1)(C(=O)[O-])c1ccccc1 ZINC000515411516 939241442 /nfs/dbraw/zinc/24/14/42/939241442.db2.gz YCQHCOBBOMPWIQ-GOSISDBHSA-N -1 0 330.359 3.646 20 0 EHADRM O=C([O-])C1(NC(=O)Cc2coc3ccc4ccccc4c23)CCCC1 ZINC000531996030 939259701 /nfs/dbraw/zinc/25/97/01/939259701.db2.gz VUQWOCIJVWODJV-UHFFFAOYSA-N -1 0 337.375 3.642 20 0 EHADRM Cc1cc([C@H](NC(=O)N(C)Cc2ccccc2)C(=O)[O-])ccc1Cl ZINC000548217877 939296060 /nfs/dbraw/zinc/29/60/60/939296060.db2.gz UOOKPEODWSCWNV-INIZCTEOSA-N -1 0 346.814 3.616 20 0 EHADRM Cc1cc(C)cc([C@@H](NC(=O)Nc2ccc(F)c(F)c2)C(=O)[O-])c1 ZINC000555771596 939302673 /nfs/dbraw/zinc/30/26/73/939302673.db2.gz JSFYWXCNRWXIEE-OAHLLOKOSA-N -1 0 334.322 3.529 20 0 EHADRM CCc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)cc1 ZINC000559428156 939312501 /nfs/dbraw/zinc/31/25/01/939312501.db2.gz SCAARQLXIANAFZ-QGZVFWFLSA-N -1 0 326.396 3.813 20 0 EHADRM Cc1cc(C)cc([C@@H](NC(=O)Nc2ccc(F)c(C)c2)C(=O)[O-])c1 ZINC000559587585 939317806 /nfs/dbraw/zinc/31/78/06/939317806.db2.gz VYOMGHXKUJUOSO-MRXNPFEDSA-N -1 0 330.359 3.698 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)N[C@H](C(=O)[O-])c2cccc(O)c2)cc1 ZINC000562434306 939329801 /nfs/dbraw/zinc/32/98/01/939329801.db2.gz LZLWIGVCFZWZDL-INIZCTEOSA-N -1 0 342.395 3.637 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1cccc(F)c1)c1ccc2ccccc2c1 ZINC000564770782 939346098 /nfs/dbraw/zinc/34/60/98/939346098.db2.gz XHDGAHPSEGMEGW-QGZVFWFLSA-N -1 0 338.338 3.926 20 0 EHADRM Cc1cc(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)sc1-c1ccccc1 ZINC000568246039 939365296 /nfs/dbraw/zinc/36/52/96/939365296.db2.gz DIJGUXXQLNFGRF-GOSISDBHSA-N -1 0 329.421 3.707 20 0 EHADRM CC(C)(C)c1ccc(CNC(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000570423441 939383410 /nfs/dbraw/zinc/38/34/10/939383410.db2.gz BSPIYMGKDYZBHO-KRWDZBQOSA-N -1 0 340.423 3.609 20 0 EHADRM O=C([O-])[C@H](NC(=O)CC1CC(c2ccccc2)C1)c1ccsc1 ZINC000574100955 939723865 /nfs/dbraw/zinc/72/38/65/939723865.db2.gz BGFYBSFVVGILOR-MWHAMWOXSA-N -1 0 329.421 3.574 20 0 EHADRM Cc1cc([C@@H](NC(=O)Nc2ccc3[nH]ccc3c2)C(=O)[O-])ccc1F ZINC000577046080 939743814 /nfs/dbraw/zinc/74/38/14/939743814.db2.gz QJJFEAGIUJPUTN-MRXNPFEDSA-N -1 0 341.342 3.563 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1ccc(Oc2cccc(F)c2)cc1)C1CC1 ZINC000578949270 939758653 /nfs/dbraw/zinc/75/86/53/939758653.db2.gz ITNMLLIQZSROQR-INIZCTEOSA-N -1 0 344.342 3.603 20 0 EHADRM O=C([O-])[C@@H](NC(=O)N[C@@H]1CCSc2ccccc21)C1CCCCC1 ZINC000579994392 939766957 /nfs/dbraw/zinc/76/69/57/939766957.db2.gz FANQEJBOKNLGAF-ZBFHGGJFSA-N -1 0 348.468 3.556 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1sccc1C(F)F)C1CCCCCC1 ZINC000911781500 939782333 /nfs/dbraw/zinc/78/23/33/939782333.db2.gz OYWNBTHJYOPCBB-LLVKDONJSA-N -1 0 331.384 3.839 20 0 EHADRM Cc1cc(C(F)F)oc1C(=O)N[C@@H](C(=O)[O-])C1CCCCCC1 ZINC000911782629 939782580 /nfs/dbraw/zinc/78/25/80/939782580.db2.gz WUKZPDKWMPXPKR-GFCCVEGCSA-N -1 0 329.343 3.679 20 0 EHADRM O=C([O-])[C@H](NC(=O)NCc1csc2ccccc12)c1cccs1 ZINC000583849325 939793566 /nfs/dbraw/zinc/79/35/66/939793566.db2.gz DUMQRTZIPKAGHP-CQSZACIVSA-N -1 0 346.433 3.588 20 0 EHADRM CC[C@@](NC(=O)CC1CCC(F)(F)CC1)(C(=O)[O-])c1ccccc1 ZINC000630126593 939811643 /nfs/dbraw/zinc/81/16/43/939811643.db2.gz JOQFITPEEWUKKG-SFHVURJKSA-N -1 0 339.382 3.708 20 0 EHADRM C[C@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1)C(F)(F)F ZINC000630162705 939813137 /nfs/dbraw/zinc/81/31/37/939813137.db2.gz OOUMMTUURCRNKZ-MEBBXXQBSA-N -1 0 339.313 3.670 20 0 EHADRM CCC[C@H](C(=O)N[C@H](C(=O)[O-])c1cccc(C)c1C)c1ccccn1 ZINC000630191691 939816169 /nfs/dbraw/zinc/81/61/69/939816169.db2.gz TYDBITINMOQIQA-WMZOPIPTSA-N -1 0 340.423 3.524 20 0 EHADRM O=C([O-])C1(NC(=O)c2ccc(Oc3ccc(F)cc3)cc2)CCCC1 ZINC000642146502 939825091 /nfs/dbraw/zinc/82/50/91/939825091.db2.gz OUHYBIQVHPTWTF-UHFFFAOYSA-N -1 0 343.354 3.745 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)Nc2cccc(C(F)F)c2)(C(=O)[O-])CC1 ZINC000656505467 939843883 /nfs/dbraw/zinc/84/38/83/939843883.db2.gz GNLFYEWWTWQSRA-HZRBXJLLSA-N -1 0 326.343 3.779 20 0 EHADRM CCC1CCC(NC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)(C(=O)[O-])CC1 ZINC000659137272 939847629 /nfs/dbraw/zinc/84/76/29/939847629.db2.gz IQEBDLIEBLQZBK-MITNXELNSA-N -1 0 343.414 3.742 20 0 EHADRM O=C([O-])[C@H](NC(=O)C1CCC2(CC2)CC1)c1ccc(Cl)c(F)c1 ZINC000659140301 939847766 /nfs/dbraw/zinc/84/77/66/939847766.db2.gz MYVXVDZOISMMIZ-CQSZACIVSA-N -1 0 339.794 3.691 20 0 EHADRM COc1ccc([C@H](NC(=O)c2cccc(C(C)C)c2)C(=O)[O-])cc1F ZINC000659160990 939848353 /nfs/dbraw/zinc/84/83/53/939848353.db2.gz NQHZVFSGJYSHQH-KRWDZBQOSA-N -1 0 345.370 3.513 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1nc(-c2ccccc2Cl)cs1)C1CC1 ZINC000663076444 939852884 /nfs/dbraw/zinc/85/28/84/939852884.db2.gz PXSMPOZRPAWQGL-LBPRGKRZSA-N -1 0 336.800 3.513 20 0 EHADRM CCCC(=O)Nc1cccc(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)c1C ZINC000663090257 939854088 /nfs/dbraw/zinc/85/40/88/939854088.db2.gz CJNXWQXJGHFWFK-KRWDZBQOSA-N -1 0 346.427 3.563 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)N[C@@]1(C(=O)[O-])CCc2ccccc21 ZINC000675988489 939866858 /nfs/dbraw/zinc/86/68/58/939866858.db2.gz KPIWXXWFEOUMFI-BTYIYWSLSA-N -1 0 337.419 3.531 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2c(s1)CCCCC2)c1ccccc1F ZINC000678989132 939869463 /nfs/dbraw/zinc/86/94/63/939869463.db2.gz WQFZONSBPUIUOJ-MRXNPFEDSA-N -1 0 347.411 3.712 20 0 EHADRM CCCc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)sc1C ZINC000678990177 939869551 /nfs/dbraw/zinc/86/95/51/939869551.db2.gz SHEBJBLIVIXTFZ-OAHLLOKOSA-N -1 0 335.400 3.704 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000683307197 939870307 /nfs/dbraw/zinc/87/03/07/939870307.db2.gz IMOKHRZUESSRRP-ORAYPTAESA-N -1 0 345.826 3.635 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)s1 ZINC000321750024 970802928 /nfs/dbraw/zinc/80/29/28/970802928.db2.gz XGLQOOXPWHIILZ-CHWSQXEVSA-N -1 0 338.473 3.650 20 0 EHADRM COc1ccc(NC(=O)NCC2(C(=O)[O-])CCCCC2)cc1Cl ZINC000321763043 970804475 /nfs/dbraw/zinc/80/44/75/970804475.db2.gz OBRKTZGUVQKRBD-UHFFFAOYSA-N -1 0 340.807 3.505 20 0 EHADRM Cc1cccc2c1CC(C)(C)N(C(=O)Cc1ccccc1C(=O)[O-])C2 ZINC001600557383 970826569 /nfs/dbraw/zinc/82/65/69/970826569.db2.gz UAPWYZSMHXXLRH-UHFFFAOYSA-N -1 0 337.419 3.599 20 0 EHADRM Cc1ccccc1Oc1cccc(NC(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC001600587006 970830773 /nfs/dbraw/zinc/83/07/73/970830773.db2.gz UFXMHDARPFBJNH-AWEZNQCLSA-N -1 0 340.379 3.726 20 0 EHADRM COc1ccc(N[C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)cc1 ZINC000321963978 970831351 /nfs/dbraw/zinc/83/13/51/970831351.db2.gz JFWWKWSONXFAKL-CQSZACIVSA-N -1 0 325.286 3.952 20 0 EHADRM Cc1nc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])c(-c2ccccc2)s1 ZINC001600684138 970846970 /nfs/dbraw/zinc/84/69/70/970846970.db2.gz TUEZFXKCTGIROZ-CQSZACIVSA-N -1 0 346.452 3.595 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000322400876 970882725 /nfs/dbraw/zinc/88/27/25/970882725.db2.gz UYPRGCZFBABNGU-HUUCEWRRSA-N -1 0 330.771 3.716 20 0 EHADRM O=C([O-])c1ccc(-c2nc(Cc3cccc(Cl)c3F)no2)cc1 ZINC000322403867 970884057 /nfs/dbraw/zinc/88/40/57/970884057.db2.gz UUPMOONWXUCMNR-UHFFFAOYSA-N -1 0 332.718 3.818 20 0 EHADRM COc1ccc(N(C)C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000322602408 970909660 /nfs/dbraw/zinc/90/96/60/970909660.db2.gz MMBJVUCPHOGONK-UHFFFAOYSA-N -1 0 334.759 3.715 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)c1ccc(Cl)c(F)c1 ZINC000322824410 970932706 /nfs/dbraw/zinc/93/27/06/970932706.db2.gz GRZNCKSVAOUKDF-UHFFFAOYSA-N -1 0 333.746 3.770 20 0 EHADRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1 ZINC000323224806 970979203 /nfs/dbraw/zinc/97/92/03/970979203.db2.gz RKHLARGEKGMQKX-UHFFFAOYSA-N -1 0 338.659 3.647 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)c1cc(C)nc2ccccc21 ZINC000323385253 970997722 /nfs/dbraw/zinc/99/77/22/970997722.db2.gz HSMWKEJMXWYNTP-UHFFFAOYSA-N -1 0 326.377 3.864 20 0 EHADRM COc1ccc(CCC(=O)Nc2ccc(CC(=O)[O-])cc2)cc1Cl ZINC000323842380 971045938 /nfs/dbraw/zinc/04/59/38/971045938.db2.gz ABUHIXSKLLEXPS-UHFFFAOYSA-N -1 0 347.798 3.547 20 0 EHADRM O=C([O-])/C=C/c1ccc(Oc2ccc3c(c2)CCC3)c([N+](=O)[O-])c1 ZINC000323898797 971054549 /nfs/dbraw/zinc/05/45/49/971054549.db2.gz PGEMIRDRPJIIEZ-WEVVVXLNSA-N -1 0 325.320 3.974 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCCC1 ZINC000323999899 971072450 /nfs/dbraw/zinc/07/24/50/971072450.db2.gz IPVOQABYPMVRJR-UHFFFAOYSA-N -1 0 340.763 3.612 20 0 EHADRM CC(C)(C)[C@@H]1CCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000324047607 971077246 /nfs/dbraw/zinc/07/72/46/971077246.db2.gz XPSCHNJWDGDCNC-SECBINFHSA-N -1 0 326.343 3.563 20 0 EHADRM CC(C)C1CCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC000324488196 971125860 /nfs/dbraw/zinc/12/58/60/971125860.db2.gz DAXFPAVYDDXTIS-UHFFFAOYSA-N -1 0 326.343 3.563 20 0 EHADRM Cc1c(Cl)cccc1C(=O)N1C[C@@H](C(=O)[O-])Cc2ccccc21 ZINC000324508350 971127018 /nfs/dbraw/zinc/12/70/18/971127018.db2.gz MTPVLOTZPXHVLP-ZDUSSCGKSA-N -1 0 329.783 3.552 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)NC[C@@H]2CCC[C@@H]2C2CC2)c1 ZINC001602043061 971127478 /nfs/dbraw/zinc/12/74/78/971127478.db2.gz NHRXPMHDEPSLOU-DOTOQJQBSA-N -1 0 330.428 3.652 20 0 EHADRM COc1ccccc1CN(C)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000324555508 971132759 /nfs/dbraw/zinc/13/27/59/971132759.db2.gz WVHLPMNYZPBWTI-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM Cc1cc(C)c(NC(=O)NCCc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000324541968 971130451 /nfs/dbraw/zinc/13/04/51/971130451.db2.gz KBXBWTOXKLSHGP-UHFFFAOYSA-N -1 0 326.396 3.674 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000325004466 971175168 /nfs/dbraw/zinc/17/51/68/971175168.db2.gz ALMZGIQQCUROHG-LBPRGKRZSA-N -1 0 346.452 3.503 20 0 EHADRM CC[C@@H](NC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC000325241999 971195934 /nfs/dbraw/zinc/19/59/34/971195934.db2.gz DRYIIOJFFREWJT-HZPDHXFCSA-N -1 0 332.444 3.670 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000325253401 971198356 /nfs/dbraw/zinc/19/83/56/971198356.db2.gz HXWNJOYKEUDIOS-OAHLLOKOSA-N -1 0 330.428 3.530 20 0 EHADRM CCCOc1ccc(NC(=O)NCC2(C(=O)[O-])CCCCC2)cc1 ZINC000325391608 971211178 /nfs/dbraw/zinc/21/11/78/971211178.db2.gz CSFHLLDQVSBQCM-UHFFFAOYSA-N -1 0 334.416 3.632 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(Cc1ccccc1OC(F)F)CC2 ZINC000325401865 971212604 /nfs/dbraw/zinc/21/26/04/971212604.db2.gz YOWZALNFBBRGGE-UHFFFAOYSA-N -1 0 333.334 3.545 20 0 EHADRM COc1ccc(NC(=O)CCSc2ccc(F)cc2)c(C(=O)[O-])c1 ZINC000325402730 971212645 /nfs/dbraw/zinc/21/26/45/971212645.db2.gz HIOJAMQDJIHIOD-UHFFFAOYSA-N -1 0 349.383 3.653 20 0 EHADRM O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc(F)cc1 ZINC000325679329 971234728 /nfs/dbraw/zinc/23/47/28/971234728.db2.gz QHMUNPARGYBZFL-UHFFFAOYSA-N -1 0 341.260 3.724 20 0 EHADRM Cc1ccc(NC(=O)N2CCC(CC(=O)[O-])CC2)cc1C(F)(F)F ZINC000325776161 971243031 /nfs/dbraw/zinc/24/30/31/971243031.db2.gz IAULKEVBBKDOGK-UHFFFAOYSA-N -1 0 344.333 3.732 20 0 EHADRM CC[C@@H](CNC(=O)Nc1ccccc1Cc1ccccc1)C(=O)[O-] ZINC000325798808 971243694 /nfs/dbraw/zinc/24/36/94/971243694.db2.gz NSKGZFBLHVQJOU-HNNXBMFYSA-N -1 0 326.396 3.510 20 0 EHADRM O=C([O-])c1ccc2c(c1)N(C(=O)C1(c3ccc(Cl)cc3)CC1)CC2 ZINC000326186591 971273077 /nfs/dbraw/zinc/27/30/77/971273077.db2.gz RYAXUSLTHGFOFM-UHFFFAOYSA-N -1 0 341.794 3.659 20 0 EHADRM Cc1c(NC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)cccc1C(=O)[O-] ZINC000326422788 971291730 /nfs/dbraw/zinc/29/17/30/971291730.db2.gz RNHYOSCYOVHIJD-LBPRGKRZSA-N -1 0 344.333 3.888 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 ZINC000326615857 971309756 /nfs/dbraw/zinc/30/97/56/971309756.db2.gz PVIGHISOCOPPAB-LBPRGKRZSA-N -1 0 334.322 3.936 20 0 EHADRM CC(C)Oc1ccc(C(=O)N2CCCc3c(C(=O)[O-])cccc32)cc1 ZINC000326639711 971311576 /nfs/dbraw/zinc/31/15/76/971311576.db2.gz VVKVOBRIZMTFAD-UHFFFAOYSA-N -1 0 339.391 3.765 20 0 EHADRM CCCCc1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cc1 ZINC000326711104 971319502 /nfs/dbraw/zinc/31/95/02/971319502.db2.gz YWPCQYRLCOWACZ-IBGZPJMESA-N -1 0 337.419 3.681 20 0 EHADRM CCc1ccc(NC(=O)COc2ccc(C)c(C)c2)c(C(=O)[O-])c1 ZINC000326711870 971320163 /nfs/dbraw/zinc/32/01/63/971320163.db2.gz ASFLYCBACHDTAU-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H]1NC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000327118756 971368846 /nfs/dbraw/zinc/36/88/46/971368846.db2.gz RBOLRUXZXAKVOE-IRXDYDNUSA-N -1 0 340.379 3.854 20 0 EHADRM CC[C@H](C)[C@H](C(=O)NCCc1ccccc1C(=O)[O-])c1ccccc1 ZINC000327178978 971375120 /nfs/dbraw/zinc/37/51/20/971375120.db2.gz AGQONGQOQLBBRZ-KXBFYZLASA-N -1 0 339.435 3.873 20 0 EHADRM C/C(=C\C(=O)N[C@H](CC(C)C)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001602736282 971423495 /nfs/dbraw/zinc/42/34/95/971423495.db2.gz OJKQOEQJOHPAGF-CFRMROPGSA-N -1 0 343.345 3.724 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC001589561474 948816964 /nfs/dbraw/zinc/81/69/64/948816964.db2.gz WEIMAEVDODGAAP-ROUUACIJSA-N -1 0 348.487 3.704 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccccc2Cc2ccccc2)n1 ZINC000336892646 971516566 /nfs/dbraw/zinc/51/65/66/971516566.db2.gz SCYSTFRGWVCFSM-UHFFFAOYSA-N -1 0 332.359 3.623 20 0 EHADRM Cc1ccc(-c2n[nH]cc2CNc2cc(C(=O)[O-])c(C)cc2C)o1 ZINC000340697562 971517719 /nfs/dbraw/zinc/51/77/19/971517719.db2.gz KZCCWRDNWNHQGO-UHFFFAOYSA-N -1 0 325.368 3.905 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccccc2COc2ccccc2)n1 ZINC000345816126 971519965 /nfs/dbraw/zinc/51/99/65/971519965.db2.gz XKBUSSBEGFFAOY-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM Cc1oc(CN(C)C(=O)CC23CC4CC(CC(C4)C2)C3)cc1C(=O)[O-] ZINC000346031457 971520737 /nfs/dbraw/zinc/52/07/37/971520737.db2.gz VNRXXVAYOIVOKE-UHFFFAOYSA-N -1 0 345.439 3.851 20 0 EHADRM CCCC[C@@H](NC(=O)C[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000347254777 971521775 /nfs/dbraw/zinc/52/17/75/971521775.db2.gz BOJOQCRIGWNDJW-SMDDNHRTSA-N -1 0 345.361 3.959 20 0 EHADRM CCCC[C@H](NC(=O)c1cccc(N[C@H](C)C(C)C)c1C)C(=O)[O-] ZINC000347257679 971521993 /nfs/dbraw/zinc/52/19/93/971521993.db2.gz IIDCEPLYUUDCRJ-PBHICJAKSA-N -1 0 334.460 3.825 20 0 EHADRM Cc1ccn(-c2ccc(C(=O)Nc3cc(C(=O)[O-])c(C)cc3C)cc2)n1 ZINC000349454333 971527034 /nfs/dbraw/zinc/52/70/34/971527034.db2.gz DTISYQCLJUDNKY-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM COc1c(Cl)cc(NC(=O)c2cc(C(=O)[O-])co2)cc1Cl ZINC000352398088 971528705 /nfs/dbraw/zinc/52/87/05/971528705.db2.gz NHWBDCYXSLRVPV-UHFFFAOYSA-N -1 0 330.123 3.546 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2c2cccc(F)c2)c(F)c1 ZINC000358585211 971531581 /nfs/dbraw/zinc/53/15/81/971531581.db2.gz FMKSFLRBVMYYFF-MRXNPFEDSA-N -1 0 331.318 3.640 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)[C@@H](C)c1cccs1)C(=O)[O-] ZINC000362530220 971536254 /nfs/dbraw/zinc/53/62/54/971536254.db2.gz VZUKBPLVAMJRKD-KGLIPLIRSA-N -1 0 331.437 3.601 20 0 EHADRM Cc1ccc2cc(C(=O)N[C@@H](CC(=O)[O-])c3ccc(F)cc3)[nH]c2c1 ZINC000347851196 971526126 /nfs/dbraw/zinc/52/61/26/971526126.db2.gz NZGBLGZTKXOIAK-INIZCTEOSA-N -1 0 340.354 3.561 20 0 EHADRM O=C([O-])[C@H]1CN(Cc2cccc(Br)c2)Cc2ccccc21 ZINC000087612601 949094809 /nfs/dbraw/zinc/09/48/09/949094809.db2.gz ONXBBHNVUHAWFH-INIZCTEOSA-N -1 0 346.224 3.633 20 0 EHADRM Cc1cc(C)cc([C@H]2CCN(C(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)C2)c1 ZINC000369167908 971552250 /nfs/dbraw/zinc/55/22/50/971552250.db2.gz QPVXQIRBRYPLBG-ULQDDVLXSA-N -1 0 329.440 3.510 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)N1CCC[C@]1(C)Cc1ccc(C(C)(C)C)cc1 ZINC001602796751 971562744 /nfs/dbraw/zinc/56/27/44/971562744.db2.gz FOINZFNOEFMESZ-VBKZILBWSA-N -1 0 331.456 3.628 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCCc2cc3ccccc3s2)cc1 ZINC001595220422 949233804 /nfs/dbraw/zinc/23/38/04/949233804.db2.gz JETFCUPEYBXIQX-UHFFFAOYSA-N -1 0 325.389 3.572 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2nc3cc(F)c(F)cc3s2)cc1 ZINC001595221922 949261664 /nfs/dbraw/zinc/26/16/64/949261664.db2.gz AFNWKWOWMFOVBM-UHFFFAOYSA-N -1 0 334.303 3.525 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N(CC(F)(F)F)c2ccccc2)o1 ZINC001595224779 949278076 /nfs/dbraw/zinc/27/80/76/949278076.db2.gz AKBRJEDEBQZEGC-VQHVLOKHSA-N -1 0 339.269 3.587 20 0 EHADRM O=C([O-])c1ccc(C(=O)Oc2ccc(Br)cc2F)cc1 ZINC001595225566 949287967 /nfs/dbraw/zinc/28/79/67/949287967.db2.gz NNPRIUAOTXTXHC-UHFFFAOYSA-N -1 0 339.116 3.506 20 0 EHADRM CCC1=C(C(=O)N2C[C@H](CCC(=O)[O-])Cc3ccccc32)CCCO1 ZINC001589613384 949346706 /nfs/dbraw/zinc/34/67/06/949346706.db2.gz LYEUCWTYAHCZRW-CQSZACIVSA-N -1 0 343.423 3.531 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)[C@H]2CCC(F)(F)C2)CC1 ZINC001595251578 949561917 /nfs/dbraw/zinc/56/19/17/949561917.db2.gz LGEQEOYSJBUPEL-ZDUSSCGKSA-N -1 0 337.366 3.526 20 0 EHADRM CCC[C@H](NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C(C)(C)C ZINC001589633520 949574815 /nfs/dbraw/zinc/57/48/15/949574815.db2.gz BQZGEHLYJKGOIQ-FQUUOJAGSA-N -1 0 326.481 3.636 20 0 EHADRM CCC[C@@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)C(C)(C)C ZINC001589633933 949585040 /nfs/dbraw/zinc/58/50/40/949585040.db2.gz JKERCELETRCZBO-GVDBMIGSSA-N -1 0 346.471 3.711 20 0 EHADRM O=C([O-])c1ccccc1CNc1ccnc(Cc2ccc(F)cc2)n1 ZINC001595255639 949603178 /nfs/dbraw/zinc/60/31/78/949603178.db2.gz UTEDTBYXHVOKGI-UHFFFAOYSA-N -1 0 337.354 3.517 20 0 EHADRM CCCCOC(=O)c1ccc(OC(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC001589652782 949789766 /nfs/dbraw/zinc/78/97/66/949789766.db2.gz JMEMNGIHKQBIGE-UHFFFAOYSA-N -1 0 342.347 3.561 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)O[C@@H]1CCC[C@@H]1Cc1cccc(Cl)c1 ZINC001595274646 949897582 /nfs/dbraw/zinc/89/75/82/949897582.db2.gz FAWOJQQPMUOADI-DMRZNYOFSA-N -1 0 336.815 3.705 20 0 EHADRM Cc1cc(C)c(C)c(OCCC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000237806590 949978474 /nfs/dbraw/zinc/97/84/74/949978474.db2.gz WJOLJUCPJZTSDA-QGZVFWFLSA-N -1 0 347.455 3.627 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000262248816 950097121 /nfs/dbraw/zinc/09/71/21/950097121.db2.gz VEWSNXMAZSTWEF-LJQANCHMSA-N -1 0 335.403 3.606 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000262916365 950188537 /nfs/dbraw/zinc/18/85/37/950188537.db2.gz JBRGFHXXCCNLKE-PWSUYJOCSA-N -1 0 341.860 3.635 20 0 EHADRM CCN(C(=O)Cc1coc2c1ccc(Cl)c2Cl)[C@@H](C)C(=O)[O-] ZINC001589703802 950258274 /nfs/dbraw/zinc/25/82/74/950258274.db2.gz PXKDDAUJCPKNRM-QMMMGPOBSA-N -1 0 344.194 3.604 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCC(C)(C)C(=O)[O-])c1 ZINC000263123015 950277454 /nfs/dbraw/zinc/27/74/54/950277454.db2.gz VKIWEHPRIBGUFQ-CQSZACIVSA-N -1 0 335.444 3.503 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C)C1 ZINC000263157792 950300722 /nfs/dbraw/zinc/30/07/22/950300722.db2.gz FXDBDVMZGULONR-BMFZPTHFSA-N -1 0 332.444 3.526 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000263216119 950330406 /nfs/dbraw/zinc/33/04/06/950330406.db2.gz ODCVZYJLGATICN-DTWKUNHWSA-N -1 0 349.736 3.684 20 0 EHADRM C[C@H](c1ccc2ccccc2c1)N(C(=O)NCCC(=O)[O-])C1CC1 ZINC000263394238 950434508 /nfs/dbraw/zinc/43/45/08/950434508.db2.gz QYUXOZGEIZAGBT-CYBMUJFWSA-N -1 0 326.396 3.550 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000263515766 950500333 /nfs/dbraw/zinc/50/03/33/950500333.db2.gz DQNDYALCXGOKPT-RHSMWYFYSA-N -1 0 341.382 3.519 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000263535143 950504224 /nfs/dbraw/zinc/50/42/24/950504224.db2.gz YTFJAVPATAOINN-SRVKXCTJSA-N -1 0 341.860 3.532 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CC[C@H](CC(C)(C)C)C1)CC(=O)[O-] ZINC000307839106 950622279 /nfs/dbraw/zinc/62/22/79/950622279.db2.gz YGRDNZONICRMIY-CABCVRRESA-N -1 0 326.481 3.591 20 0 EHADRM Cc1ccc(Br)cc1C[N@@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000313610581 950791907 /nfs/dbraw/zinc/79/19/07/950791907.db2.gz KRHOWHVACKHLQH-AWEZNQCLSA-N -1 0 326.234 3.587 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)CCc1ccc(Cl)cc1Cl ZINC000317702439 950913541 /nfs/dbraw/zinc/91/35/41/950913541.db2.gz HAKCOBQGUMMYLL-UHFFFAOYSA-N -1 0 339.178 3.658 20 0 EHADRM Cc1nc(Cl)c(Cl)cc1C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000319434603 950960572 /nfs/dbraw/zinc/96/05/72/950960572.db2.gz KLGBIAHSDGHBNA-UHFFFAOYSA-N -1 0 345.226 3.604 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)/C=C\c2ccc(Cl)s2)Cc2ccccc21 ZINC000321089968 951010774 /nfs/dbraw/zinc/01/07/74/951010774.db2.gz SXYRJPTWNZWVFR-IQCBXXCUSA-N -1 0 347.823 3.625 20 0 EHADRM Cc1c(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)sc2cccc(F)c12 ZINC000321289772 951014843 /nfs/dbraw/zinc/01/48/43/951014843.db2.gz XMLYSZWZQUONKM-NSHDSACASA-N -1 0 335.400 3.676 20 0 EHADRM COc1ccc(Cl)cc1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000322361465 951029005 /nfs/dbraw/zinc/02/90/05/951029005.db2.gz BLOLGSOAZYXVDR-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2ccc3ncsc3c2)c1 ZINC000322449689 951030533 /nfs/dbraw/zinc/03/05/33/951030533.db2.gz UGRKGVHRPJWSIE-UHFFFAOYSA-N -1 0 326.377 3.566 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCc2nc3ccccc3s2)c(F)c1 ZINC000325073644 951081020 /nfs/dbraw/zinc/08/10/20/951081020.db2.gz CYNAUKROXICUKL-UHFFFAOYSA-N -1 0 344.367 3.705 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)/C=C/c2ccc(Cl)cc2)Cc2ccccc21 ZINC000325651856 951089788 /nfs/dbraw/zinc/08/97/88/951089788.db2.gz YQVXFWAVDIKAMO-PYUISTEWSA-N -1 0 341.794 3.564 20 0 EHADRM CCCN(Cc1ccc(C)cc1)C(=O)Cc1ccccc1C(=O)[O-] ZINC000325837092 951094274 /nfs/dbraw/zinc/09/42/74/951094274.db2.gz VMHMEMHFECTRAW-UHFFFAOYSA-N -1 0 325.408 3.675 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)c2ccc(OC(F)F)cc2)c2ccccc21 ZINC000327364471 951113919 /nfs/dbraw/zinc/11/39/19/951113919.db2.gz JOHBPBHHLCJJMJ-AWEZNQCLSA-N -1 0 347.317 3.507 20 0 EHADRM C[C@@H](CC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000368311875 951144037 /nfs/dbraw/zinc/14/40/37/951144037.db2.gz FUAWEUCMDLCKSB-ZYSHUDEJSA-N -1 0 337.419 3.507 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)c1ccccc1OC1CCC1)C(=O)[O-] ZINC001602861494 971721532 /nfs/dbraw/zinc/72/15/32/971721532.db2.gz ZHIFZSCRCRWSKP-HNNXBMFYSA-N -1 0 333.428 3.627 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)NC[C@@H](c1ccccc1)C1CC1 ZINC001595011152 951241675 /nfs/dbraw/zinc/24/16/75/951241675.db2.gz HPJCJHLURGKZKN-ROUUACIJSA-N -1 0 344.455 3.609 20 0 EHADRM CCOc1c(Cl)cccc1CC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001592009801 951294250 /nfs/dbraw/zinc/29/42/50/951294250.db2.gz ZNMFONMILDCGJN-UHFFFAOYSA-N -1 0 347.798 3.547 20 0 EHADRM CCOc1ccc2cc(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])[nH]c2c1 ZINC001592816346 951371055 /nfs/dbraw/zinc/37/10/55/951371055.db2.gz WGFOKALRQSNLMR-CQSZACIVSA-N -1 0 346.427 3.576 20 0 EHADRM O=C([O-])CCCCC(=O)NCC1(c2cccc(F)c2F)CCCC1 ZINC001595034359 951386399 /nfs/dbraw/zinc/38/63/99/951386399.db2.gz LMEBYSJGMPUJSK-UHFFFAOYSA-N -1 0 339.382 3.538 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1nc2ccccc2n1-c1ccccc1 ZINC001595034728 951392671 /nfs/dbraw/zinc/39/26/71/951392671.db2.gz KSQDJRPVRUEKFC-UHFFFAOYSA-N -1 0 337.379 3.609 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)cs1 ZINC000381222808 971747056 /nfs/dbraw/zinc/74/70/56/971747056.db2.gz ZPUCVMCQXOHAQN-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM O=C([O-])COc1cccc(C(=O)Nc2ccc3c(c2)CCCCC3)c1 ZINC001595123355 951983767 /nfs/dbraw/zinc/98/37/67/951983767.db2.gz UCIADVAOIMUZGQ-UHFFFAOYSA-N -1 0 339.391 3.671 20 0 EHADRM O=C([O-])Cn1cc(NCc2cccc(Oc3ccc(F)cc3)c2)cn1 ZINC001595148767 952130192 /nfs/dbraw/zinc/13/01/92/952130192.db2.gz YQQVBILLFNLAOT-UHFFFAOYSA-N -1 0 341.342 3.511 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CC2(CCCC2)c2cccc(Cl)c21 ZINC001595172154 952224518 /nfs/dbraw/zinc/22/45/18/952224518.db2.gz FORXNPLNMILOLR-NWDGAFQWSA-N -1 0 333.815 3.609 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1ncc(-c2ccc(Cl)cc2)s1 ZINC001595180690 952251068 /nfs/dbraw/zinc/25/10/68/952251068.db2.gz RTDMOHZFLJINBE-GHMZBOCLSA-N -1 0 336.800 3.513 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)N2C[C@@H]3CCCC[C@@H]32)c1Cl ZINC001595206890 952334108 /nfs/dbraw/zinc/33/41/08/952334108.db2.gz QIJJBEPLGSSIHI-KWQFWETISA-N -1 0 326.755 3.584 20 0 EHADRM CCCN(Cc1ccccc1)C(=O)Nc1cc(OC)ccc1C(=O)[O-] ZINC000383618503 971881377 /nfs/dbraw/zinc/88/13/77/971881377.db2.gz BBTRCZOWVLRAKH-UHFFFAOYSA-N -1 0 342.395 3.838 20 0 EHADRM O=C([O-])CCCCCNC(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000414619632 953400605 /nfs/dbraw/zinc/40/06/05/953400605.db2.gz BRNIDHAUSZIUBS-KZNAEPCWSA-N -1 0 344.455 3.609 20 0 EHADRM CC[C@@H](NC(=O)N1CCC[C@@](CC)(C(=O)[O-])C1)c1ccc(F)cc1 ZINC001593602651 953412636 /nfs/dbraw/zinc/41/26/36/953412636.db2.gz AVOUNEACHVUHDC-CRAIPNDOSA-N -1 0 336.407 3.563 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NCC[C@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC001589274410 953447784 /nfs/dbraw/zinc/44/77/84/953447784.db2.gz SQBMNMOSUSYDLY-WCVJEAGWSA-N -1 0 338.492 3.591 20 0 EHADRM CCC(CC)(CNC(=O)Nc1c(F)cc(Cl)cc1F)C(=O)[O-] ZINC000424380068 953453194 /nfs/dbraw/zinc/45/31/94/953453194.db2.gz JNTDSXCPYVTYRI-UHFFFAOYSA-N -1 0 334.750 3.631 20 0 EHADRM CCC(CC)(CNC(=O)N[C@H](C)c1ccc(SC)cc1)C(=O)[O-] ZINC000424453682 953488305 /nfs/dbraw/zinc/48/83/05/953488305.db2.gz RPPKSNUZMAWPQM-GFCCVEGCSA-N -1 0 338.473 3.660 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)c1ccc(Cl)c(N)c1Cl)C(=O)[O-] ZINC000455781864 953515692 /nfs/dbraw/zinc/51/56/92/953515692.db2.gz GYCFDKKSRFEJMY-JTQLQIEISA-N -1 0 347.242 3.585 20 0 EHADRM O=C([O-])C1CCC(NC(=O)N2CCC[C@@H]2/C=C\c2ccccc2)CC1 ZINC000516421933 953539708 /nfs/dbraw/zinc/53/97/08/953539708.db2.gz MVRXPLUFEBQCTJ-LAIJKELQSA-N -1 0 342.439 3.517 20 0 EHADRM O=C([O-])[C@H]1CCN1C(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000384610792 971939988 /nfs/dbraw/zinc/93/99/88/971939988.db2.gz BTYSNHMUGBNLGJ-MRVPVSSYSA-N -1 0 330.192 3.507 20 0 EHADRM CCc1c(NC(=O)CCCCC(=O)[O-])cnn1-c1ccc(Cl)cc1 ZINC001593627486 953564832 /nfs/dbraw/zinc/56/48/32/953564832.db2.gz NJJUUNRGWUXNQS-UHFFFAOYSA-N -1 0 349.818 3.672 20 0 EHADRM C[C@@H]1C[C@@H](CCNC(=O)C2(C(=O)[O-])CCSCC2)CC(C)(C)C1 ZINC001589285880 953569846 /nfs/dbraw/zinc/56/98/46/953569846.db2.gz IQAZMPKJAHVXRK-ZIAGYGMSSA-N -1 0 341.517 3.553 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(C(=O)[O-])c2)c2c(n1)onc2C(C)C ZINC000557338455 953585487 /nfs/dbraw/zinc/58/54/87/953585487.db2.gz MIHAUUKNRRFRBJ-UHFFFAOYSA-N -1 0 339.351 3.605 20 0 EHADRM CCc1ccc(NC(=O)c2ccc(OCC(=O)[O-])cc2)cc1Cl ZINC001593638692 953629629 /nfs/dbraw/zinc/62/96/29/953629629.db2.gz BOSRAEPKMRWWLW-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM O=C([O-])CC1(NC(=O)CCCc2cc(F)ccc2F)CCCCC1 ZINC000568182744 953642874 /nfs/dbraw/zinc/64/28/74/953642874.db2.gz CRFOIXGVUGZMGT-UHFFFAOYSA-N -1 0 339.382 3.581 20 0 EHADRM CC[C@H](NC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)c1ccc(Cl)s1 ZINC000571759555 953663781 /nfs/dbraw/zinc/66/37/81/953663781.db2.gz XHNHIESVQVSJEN-AXFHLTTASA-N -1 0 344.864 3.605 20 0 EHADRM CC[C@H](NC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000582604301 953724547 /nfs/dbraw/zinc/72/45/47/953724547.db2.gz WWXDSOFKEVWTHI-UGFHNGPFSA-N -1 0 338.835 3.543 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000591562778 953743423 /nfs/dbraw/zinc/74/34/23/953743423.db2.gz XGHQLTMIUVEBIA-RYUDHWBXSA-N -1 0 347.436 3.621 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1ccccc1COC(C)(C)C ZINC001589306886 953752528 /nfs/dbraw/zinc/75/25/28/953752528.db2.gz YNWQAAUGSFSAAY-UONOGXRCSA-N -1 0 348.443 3.719 20 0 EHADRM CSCc1ccc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000593924522 953759571 /nfs/dbraw/zinc/75/95/71/953759571.db2.gz XGYDJTWOVHOQNY-SJORKVTESA-N -1 0 341.432 3.593 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1CNC(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001589310486 953786629 /nfs/dbraw/zinc/78/66/29/953786629.db2.gz PLLDXWAPGOURMH-IPYPFGDCSA-N -1 0 333.432 3.610 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)NCCCCCC(=O)[O-] ZINC001589310437 953786914 /nfs/dbraw/zinc/78/69/14/953786914.db2.gz NNBSDSYWZOMXQY-BZUAXINKSA-N -1 0 326.481 3.639 20 0 EHADRM CCn1cc(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c2ccccc21 ZINC001593665213 953829855 /nfs/dbraw/zinc/82/98/55/953829855.db2.gz NIMUEIJSOKGZLY-SJLPKXTDSA-N -1 0 348.402 3.704 20 0 EHADRM C[C@@H]1CCC[C@H](N(C)C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)C1 ZINC001589315234 953831197 /nfs/dbraw/zinc/83/11/97/953831197.db2.gz CXYKCJJYMUPTCZ-DLTLXFJOSA-N -1 0 330.428 3.520 20 0 EHADRM Cc1ccc(CO[C@@H](C)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000630138234 953839943 /nfs/dbraw/zinc/83/99/43/953839943.db2.gz FTIVHUMLXIAWDD-AWEZNQCLSA-N -1 0 327.380 3.545 20 0 EHADRM CCCn1ccc2ccc(NC(=O)N3CC[C@H](C(=O)[O-])[C@H](C)C3)cc21 ZINC000630563300 953861731 /nfs/dbraw/zinc/86/17/31/953861731.db2.gz WOVKQMVVONVJHQ-CJNGLKHVSA-N -1 0 343.427 3.626 20 0 EHADRM C[C@H]1CC[C@H](CC(=O)Nc2scc(-c3cnn(C)c3)c2C(=O)[O-])C1 ZINC001589323014 953881814 /nfs/dbraw/zinc/88/18/14/953881814.db2.gz DEEKTQUNPWLTEE-QWRGUYRKSA-N -1 0 347.440 3.612 20 0 EHADRM CN(C(=O)C1(C(=O)[O-])CCC1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001593676873 953938071 /nfs/dbraw/zinc/93/80/71/953938071.db2.gz XKTLYJDKAMJDKO-UHFFFAOYSA-N -1 0 335.709 3.577 20 0 EHADRM C[C@@H](NC(=O)N1CCC(C)(C(=O)[O-])CC1)c1cccc(C2CC2)c1 ZINC000646159846 953939623 /nfs/dbraw/zinc/93/96/23/953939623.db2.gz WEAWHDVMRAMADO-CYBMUJFWSA-N -1 0 330.428 3.521 20 0 EHADRM O=C([O-])c1cc(NC(=O)NC2(c3ccc(Cl)cc3)CCC2)ccn1 ZINC001594826394 953942438 /nfs/dbraw/zinc/94/24/38/953942438.db2.gz OVGKJAOGDPATLI-UHFFFAOYSA-N -1 0 345.786 3.634 20 0 EHADRM CC(C)(C)[C@H](Cc1ccccc1C(F)(F)F)NC(=O)CCC(=O)[O-] ZINC000649255504 953988080 /nfs/dbraw/zinc/98/80/80/953988080.db2.gz KWDFUEOLYGRVBW-ZDUSSCGKSA-N -1 0 345.361 3.644 20 0 EHADRM C[C@@H]1CCN(C(=O)C2=C(c3ccccc3)CCCC2)C[C@@H]1C(=O)[O-] ZINC001589336998 954002423 /nfs/dbraw/zinc/00/24/23/954002423.db2.gz RLLMMXGLWIBHNH-KDOFPFPSSA-N -1 0 327.424 3.583 20 0 EHADRM C[C@@H]1CCN(C(=O)/C=C\c2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)[O-] ZINC001589337168 954003877 /nfs/dbraw/zinc/00/38/77/954003877.db2.gz JXKQFMUTYXNWKE-HAZJURQKSA-N -1 0 329.440 3.567 20 0 EHADRM O=C([O-])[C@H](C(=O)NC[C@H]1CCC[C@@H]1c1ccccc1)C1CCCC1 ZINC001594834038 954013380 /nfs/dbraw/zinc/01/33/80/954013380.db2.gz VDTNOXQZMNDWSL-KURKYZTESA-N -1 0 329.440 3.578 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)NC(=O)Nc1cncc(C(=O)[O-])c1 ZINC001602975450 971986784 /nfs/dbraw/zinc/98/67/84/971986784.db2.gz WZSZEVQGNLMSII-IBGZPJMESA-N -1 0 341.411 3.559 20 0 EHADRM Cc1c(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)sc2cccc(F)c12 ZINC000652129401 954082700 /nfs/dbraw/zinc/08/27/00/954082700.db2.gz CFUHDZBJNPFHSV-NWDGAFQWSA-N -1 0 347.411 3.532 20 0 EHADRM CC(C)Oc1ccccc1CN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000652471134 954090254 /nfs/dbraw/zinc/09/02/54/954090254.db2.gz UTGVPBBOXONDTA-SFHVURJKSA-N -1 0 325.408 3.658 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N(CCc2ccccc2F)C2CCCC2)C1 ZINC000653296422 954104366 /nfs/dbraw/zinc/10/43/66/954104366.db2.gz QBFGMPIASVJHIZ-JKSUJKDBSA-N -1 0 347.430 3.640 20 0 EHADRM O=C([O-])[C@H](NCc1coc(-c2ccccc2F)n1)c1ccc(F)cc1 ZINC001594843611 954106582 /nfs/dbraw/zinc/10/65/82/954106582.db2.gz MPLKLMNPIOHXHT-MRXNPFEDSA-N -1 0 344.317 3.535 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)[C@@H]2CCCc3ccccc32)c2ccccc21 ZINC000653330865 954159700 /nfs/dbraw/zinc/15/97/00/954159700.db2.gz LAEBNCYESKRDRV-CEXWTWQISA-N -1 0 335.403 3.536 20 0 EHADRM C[C@]1(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)CCc2ccccc2C1 ZINC000653332884 954163822 /nfs/dbraw/zinc/16/38/22/954163822.db2.gz JOTCXKSQXSCVRZ-IPJJNNNSSA-N -1 0 349.430 3.611 20 0 EHADRM CC(C)c1cnc(NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)s1 ZINC000653544295 954192243 /nfs/dbraw/zinc/19/22/43/954192243.db2.gz SMMCIINEYSXEOU-OUAUKWLOSA-N -1 0 339.461 3.523 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000653545074 954192672 /nfs/dbraw/zinc/19/26/72/954192672.db2.gz UYZZKHDDGFYCSW-SECBINFHSA-N -1 0 349.736 3.686 20 0 EHADRM CC(C)[C@@H](CNC(=O)[C@H](c1cccc(Cl)c1)C(C)C)C(=O)[O-] ZINC000655573477 954210934 /nfs/dbraw/zinc/21/09/34/954210934.db2.gz SVROOCXTEAMRJG-CABCVRRESA-N -1 0 325.836 3.553 20 0 EHADRM C[C@H](CC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1F ZINC000655580021 954219775 /nfs/dbraw/zinc/21/97/75/954219775.db2.gz FANYVTGRXXQIPT-RJZRQDKASA-N -1 0 335.419 3.571 20 0 EHADRM CC[C@H](NC(=O)NC[C@H](C(=O)[O-])C(C)C)c1ccc(Cl)s1 ZINC000655870044 954257664 /nfs/dbraw/zinc/25/76/64/954257664.db2.gz NYHQKIOKRUWYAO-UWVGGRQHSA-N -1 0 332.853 3.509 20 0 EHADRM CN(CC1CCCCC1)C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001593726804 954281577 /nfs/dbraw/zinc/28/15/77/954281577.db2.gz ZCORASSQAQPJSC-DLBZAZTESA-N -1 0 330.428 3.521 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2F)Cc2ccccc21 ZINC001589386311 954307187 /nfs/dbraw/zinc/30/71/87/954307187.db2.gz FQRLETVFXVFMTM-LLVKDONJSA-N -1 0 328.343 3.675 20 0 EHADRM COc1c(Cl)cc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc1Cl ZINC000656851618 954308154 /nfs/dbraw/zinc/30/81/54/954308154.db2.gz DEWQQMFEGDRWMI-SNVBAGLBSA-N -1 0 334.199 3.687 20 0 EHADRM Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])cc1C ZINC000659128990 954310274 /nfs/dbraw/zinc/31/02/74/954310274.db2.gz YSBVZPWKCSMZSV-XUVXKRRUSA-N -1 0 349.430 3.618 20 0 EHADRM Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1C ZINC000659144038 954310548 /nfs/dbraw/zinc/31/05/48/954310548.db2.gz AVWRBSCWODBPKB-FGTMMUONSA-N -1 0 329.440 3.653 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cccc(COC(C)(C)C)c2)CC[C@H]1C(=O)[O-] ZINC001589387103 954311641 /nfs/dbraw/zinc/31/16/41/954311641.db2.gz KFIRLLSRRCHQKH-CZUORRHYSA-N -1 0 348.443 3.576 20 0 EHADRM C[C@](CNC(=O)C1CC2(C1)CCCCC2)(C(=O)[O-])c1ccccc1 ZINC000659147874 954311493 /nfs/dbraw/zinc/31/14/93/954311493.db2.gz DXQPHSZCUOKSKJ-LJQANCHMSA-N -1 0 329.440 3.506 20 0 EHADRM Cc1ccc([C@@H]2C[C@H]2C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1C ZINC000659766592 954366083 /nfs/dbraw/zinc/36/60/83/954366083.db2.gz KFVKRGKCCNLJHA-QRIFCXAISA-N -1 0 343.467 3.659 20 0 EHADRM O=C([O-])C1(c2noc(CCc3ccc(Cl)c(Cl)c3)n2)CCC1 ZINC001594886658 954471311 /nfs/dbraw/zinc/47/13/11/954471311.db2.gz DPGXRKMOEYHFBO-UHFFFAOYSA-N -1 0 341.194 3.668 20 0 EHADRM C[C@@H]1CSc2ccccc2N(C(=O)Cc2ccccc2C(=O)[O-])C1 ZINC001589408578 954490603 /nfs/dbraw/zinc/49/06/03/954490603.db2.gz JVVKMIRRKIABBC-ZDUSSCGKSA-N -1 0 341.432 3.702 20 0 EHADRM C[C@H]1N(C(=O)/C=C/c2ccc(C(=O)[O-])o2)c2ccccc2C1(C)C ZINC001589413137 954536377 /nfs/dbraw/zinc/53/63/77/954536377.db2.gz QCQPETZJPFTJSR-LMMOQWNQSA-N -1 0 325.364 3.704 20 0 EHADRM O=C([O-])CCCCNC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000666513663 954545985 /nfs/dbraw/zinc/54/59/85/954545985.db2.gz NURUEODAMGWJJD-GOSISDBHSA-N -1 0 340.423 3.525 20 0 EHADRM CC1(C)CCc2ccccc2[C@@H](NC(=O)NCCCCC(=O)[O-])C1 ZINC000666544920 954554373 /nfs/dbraw/zinc/55/43/73/954554373.db2.gz BXTYZGYUROPPFG-INIZCTEOSA-N -1 0 332.444 3.644 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)NCCCCC(=O)[O-] ZINC000666562207 954559949 /nfs/dbraw/zinc/55/99/49/954559949.db2.gz IOYJNIWKAGPNOY-KRWDZBQOSA-N -1 0 334.460 3.603 20 0 EHADRM Cc1ccccc1[C@@H](C)N(C)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000666566824 954561754 /nfs/dbraw/zinc/56/17/54/954561754.db2.gz WYWRFJMOJBRDBV-CQSZACIVSA-N -1 0 326.396 3.596 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1sc2cccc(F)c2c1Cl ZINC001589441191 954720995 /nfs/dbraw/zinc/72/09/95/954720995.db2.gz XQNJDTMBUISREX-QMMMGPOBSA-N -1 0 329.780 3.629 20 0 EHADRM COc1cc(NC(=O)c2ccc3sccc3c2)ccc1C(=O)[O-] ZINC000386239552 972038957 /nfs/dbraw/zinc/03/89/57/972038957.db2.gz OKCXPJBEDCDQOH-UHFFFAOYSA-N -1 0 327.361 3.860 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)CCn2ccc3ccccc32)c2ccccc21 ZINC001594919892 954798753 /nfs/dbraw/zinc/79/87/53/954798753.db2.gz GTGKJKAXBJHGHA-KRWDZBQOSA-N -1 0 348.402 3.637 20 0 EHADRM CCC(C)(C)c1ccc(C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)cc1 ZINC001589451965 954806925 /nfs/dbraw/zinc/80/69/25/954806925.db2.gz NYVHNRRTOCTIKV-UHFFFAOYSA-N -1 0 343.427 3.643 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1c2ccccc2C(C)(C)[C@H]1C)C(=O)[O-] ZINC001603009002 972059254 /nfs/dbraw/zinc/05/92/54/972059254.db2.gz NXXQGNKIUWSSJE-ZIAGYGMSSA-N -1 0 332.444 3.629 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Oc1cc(Br)c(F)cc1C ZINC001589483638 954990204 /nfs/dbraw/zinc/99/02/04/954990204.db2.gz OKRHDFOGGCILNO-UHFFFAOYSA-N -1 0 347.180 3.693 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1cccc(C(F)F)c1F ZINC001594962368 955023365 /nfs/dbraw/zinc/02/33/65/955023365.db2.gz CASCGWFDSYAVKO-OAHLLOKOSA-N -1 0 349.308 3.588 20 0 EHADRM CCC(CC)(CNC(=O)c1ccc(OC(F)(F)F)c(C)c1)C(=O)[O-] ZINC001589500291 955028681 /nfs/dbraw/zinc/02/86/81/955028681.db2.gz CGNJSWFBUPRHNU-UHFFFAOYSA-N -1 0 347.333 3.514 20 0 EHADRM CCC(CC)[C@H](NC(=O)NCC1(C(=O)[O-])CCC1)c1ccccc1 ZINC001589510419 955047378 /nfs/dbraw/zinc/04/73/78/955047378.db2.gz OSZFETBPTHGENO-INIZCTEOSA-N -1 0 332.444 3.718 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)Nc2ccc3c(c2)C(=O)CCCC3)co1 ZINC001594967532 955071242 /nfs/dbraw/zinc/07/12/42/955071242.db2.gz ADZBMQJDIMPZEW-BQYQJAHWSA-N -1 0 339.347 3.539 20 0 EHADRM CC[C@H](CNC(=O)Nc1ccccc1C(=O)[O-])Oc1ccccc1F ZINC001589546585 955201931 /nfs/dbraw/zinc/20/19/31/955201931.db2.gz RIIGMYGFOQKEPA-GFCCVEGCSA-N -1 0 346.358 3.503 20 0 EHADRM CC[C@@H](CNC(=O)c1cc(C)cc(C(=O)[O-])c1)Oc1cccc(C)c1 ZINC001589549036 955208318 /nfs/dbraw/zinc/20/83/18/955208318.db2.gz FWZUHACELREXTN-KRWDZBQOSA-N -1 0 341.407 3.589 20 0 EHADRM CCN(c1ccccc1)c1ccc(CNC(=O)CCCC(=O)[O-])cc1 ZINC000753966585 955263112 /nfs/dbraw/zinc/26/31/12/955263112.db2.gz BGNBLDXATRXYRV-UHFFFAOYSA-N -1 0 340.423 3.716 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000769528521 955321361 /nfs/dbraw/zinc/32/13/61/955321361.db2.gz VAVKKMCCWARBQS-PTVNLRSFSA-N -1 0 345.439 3.590 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001589007221 955370804 /nfs/dbraw/zinc/37/08/04/955370804.db2.gz KUVNERABMALJHJ-CYBMUJFWSA-N -1 0 341.411 3.658 20 0 EHADRM CC(C)C[C@@H](NC(=O)/C=C\c1ccc(F)c2ccccc12)C(=O)[O-] ZINC001603036280 972095923 /nfs/dbraw/zinc/09/59/23/972095923.db2.gz BWZKLLGOGQGNPJ-SECOEOQKSA-N -1 0 329.371 3.608 20 0 EHADRM O=C([O-])c1cccc(NC(=O)NC[C@H]2SCCc3ccccc32)c1 ZINC000833138375 955554809 /nfs/dbraw/zinc/55/48/09/955554809.db2.gz GISDKHRPVIJPTR-MRXNPFEDSA-N -1 0 342.420 3.537 20 0 EHADRM C[C@@H]1CN(c2ccc(NCc3cccc(C(=O)[O-])c3)cc2)C[C@@H](C)O1 ZINC000840994503 955580744 /nfs/dbraw/zinc/58/07/44/955580744.db2.gz YRMBCTFSACYIED-HUUCEWRRSA-N -1 0 340.423 3.611 20 0 EHADRM C[C@H](CNC(=O)NCc1ccccc1-c1ccc(Cl)cc1)C(=O)[O-] ZINC001589056146 955695016 /nfs/dbraw/zinc/69/50/16/955695016.db2.gz IFCRTFZOIULVPF-GFCCVEGCSA-N -1 0 346.814 3.527 20 0 EHADRM Cn1ccc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])c1-c1ccccc1 ZINC001594549438 955711207 /nfs/dbraw/zinc/71/12/07/955711207.db2.gz KRRWJCUREOYVMI-INIZCTEOSA-N -1 0 340.423 3.552 20 0 EHADRM C/C(=C/C(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-])c1ccccc1C(F)(F)F ZINC000846713471 955721528 /nfs/dbraw/zinc/72/15/28/955721528.db2.gz PHYRMOLBCASGOW-RHWCBERRSA-N -1 0 341.329 3.573 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(Cl)cc3ccccc32)CC[C@H]1C(=O)[O-] ZINC000851606923 955788502 /nfs/dbraw/zinc/78/85/02/955788502.db2.gz ZEDNBRJONORFMW-SMDDNHRTSA-N -1 0 331.799 3.676 20 0 EHADRM CC(C)N(Cc1cccc(F)c1)C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001603066045 972131210 /nfs/dbraw/zinc/13/12/10/972131210.db2.gz WZXNJRWKSDNPAU-VOTSOKGWSA-N -1 0 331.343 3.567 20 0 EHADRM C[C@@H](NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c1ccccc1C(F)(F)F ZINC000852947592 955865122 /nfs/dbraw/zinc/86/51/22/955865122.db2.gz PDESABTXNCHTMR-SKDRFNHKSA-N -1 0 331.334 3.630 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)[C@@]3(C(=O)[O-])CC3(C)C)cc2)nc1 ZINC000852951126 955873345 /nfs/dbraw/zinc/87/33/45/955873345.db2.gz OJICVCRZCYOSNW-LJQANCHMSA-N -1 0 340.379 3.622 20 0 EHADRM O=C(/C=C/c1ccc(C(=O)[O-])o1)Nc1cccc(COCC2CC2)c1 ZINC000864106056 955936061 /nfs/dbraw/zinc/93/60/61/955936061.db2.gz GZMUWRYSISZDBC-VQHVLOKHSA-N -1 0 341.363 3.556 20 0 EHADRM CC(C)C[C@H](CNC(=O)/C=C/c1csc(C(F)(F)F)c1)C(=O)[O-] ZINC000864122996 955950688 /nfs/dbraw/zinc/95/06/88/955950688.db2.gz ZKGBSRDWMDJQCJ-PGLGOXFNSA-N -1 0 349.374 3.643 20 0 EHADRM CC(C)(CC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccc(F)cc1 ZINC000864129931 955953503 /nfs/dbraw/zinc/95/35/03/955953503.db2.gz JRNXOMQOHBQSOX-UHFFFAOYSA-N -1 0 335.419 3.597 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000864131394 955954990 /nfs/dbraw/zinc/95/49/90/955954990.db2.gz VNHGRBKGIWKDKU-HXUWFJFHSA-N -1 0 331.456 3.605 20 0 EHADRM CC1(C)C[C@H](NC(=O)/C=C\c2ccc(C(=O)[O-])o2)c2ccccc21 ZINC000864143126 955964301 /nfs/dbraw/zinc/96/43/01/955964301.db2.gz BVGUSLMFXCWRBG-WWRUEGTHSA-N -1 0 325.364 3.530 20 0 EHADRM CCCOc1ccc(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1C ZINC000864604361 956004666 /nfs/dbraw/zinc/00/46/66/956004666.db2.gz CQKFPNWWRXOKTQ-AWEZNQCLSA-N -1 0 334.416 3.502 20 0 EHADRM C[C@@H](NC(=O)Nc1nsc2ccccc21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589113988 956073722 /nfs/dbraw/zinc/07/37/22/956073722.db2.gz VQMAYLUBPCHMNX-ADEWGFFLSA-N -1 0 347.440 3.553 20 0 EHADRM C[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1(c2ccccc2)CCCC1 ZINC001589114290 956079272 /nfs/dbraw/zinc/07/92/72/956079272.db2.gz IXDAUKQYMYKACA-OWCLPIDISA-N -1 0 329.440 3.504 20 0 EHADRM CC(C)Oc1ccc2ccccc2c1CNC(=O)[C@@H](C(=O)[O-])C(C)C ZINC001603081784 972157540 /nfs/dbraw/zinc/15/75/40/972157540.db2.gz SBHMSVTZDNEUKG-SFHVURJKSA-N -1 0 343.423 3.600 20 0 EHADRM Cc1cc(N(C)C)cc(C)c1NC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000899310843 956279910 /nfs/dbraw/zinc/27/99/10/956279910.db2.gz HLMKVANRJVGQHB-HNNXBMFYSA-N -1 0 347.459 3.621 20 0 EHADRM COc1cc(NC(=O)NC2CCC(C(=O)[O-])CC2)cc2ccccc21 ZINC000899316357 956287349 /nfs/dbraw/zinc/28/73/49/956287349.db2.gz DZVLARKCRYPDAC-UHFFFAOYSA-N -1 0 342.395 3.613 20 0 EHADRM COc1cc(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc2ccccc21 ZINC000899318554 956287950 /nfs/dbraw/zinc/28/79/50/956287950.db2.gz VLPWBEXOVYHCKV-ZDUSSCGKSA-N -1 0 342.395 3.567 20 0 EHADRM CC1(c2ccccc2)CCN(C(=O)c2coc(/C=C\C(=O)[O-])c2)CC1 ZINC000901604362 956367012 /nfs/dbraw/zinc/36/70/12/956367012.db2.gz NWYBFQBEXHARFF-FPLPWBNLSA-N -1 0 339.391 3.571 20 0 EHADRM C[C@H](Sc1nnc(-c2ccccc2)cc1C(F)(F)F)C(=O)[O-] ZINC001589173207 956475474 /nfs/dbraw/zinc/47/54/74/956475474.db2.gz UUHIKGUBMDSMMQ-QMMMGPOBSA-N -1 0 328.315 3.728 20 0 EHADRM C[C@H](c1ccc(Cl)cc1Cl)N(C)Cc1cc(C(=O)[O-])nn1C ZINC001589174893 956486137 /nfs/dbraw/zinc/48/61/37/956486137.db2.gz TXTODTBMESQKJJ-SECBINFHSA-N -1 0 342.226 3.618 20 0 EHADRM CCCN(C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1)[C@@H](CC)c1ccccc1 ZINC000901858541 956505726 /nfs/dbraw/zinc/50/57/26/956505726.db2.gz ITLVPYBXXJUBPX-BZSNNMDCSA-N -1 0 347.455 3.646 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C ZINC000388916915 972198510 /nfs/dbraw/zinc/19/85/10/972198510.db2.gz CPNUFNDYDHRRCI-GWCFXTLKSA-N -1 0 343.876 3.826 20 0 EHADRM Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000902018070 956609460 /nfs/dbraw/zinc/60/94/60/956609460.db2.gz SSWFCNBLVUXDBI-MANSERQUSA-N -1 0 335.403 3.528 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N[C@H](c2ccc(F)cc2F)C2CC2)o1 ZINC001594670205 956612399 /nfs/dbraw/zinc/61/23/99/956612399.db2.gz OFEKFFSPICOQGG-AFCDSYGPSA-N -1 0 347.317 3.537 20 0 EHADRM O=C(/C=C/c1ccc(C(=O)[O-])o1)Nc1ccc(-c2ccccc2)cn1 ZINC001594674358 956644760 /nfs/dbraw/zinc/64/47/60/956644760.db2.gz PMPIXBYVKLLQOV-DHZHZOJOSA-N -1 0 334.331 3.692 20 0 EHADRM CCCCC(=O)N1CC[C@H](C(=O)[O-])c2cc(Br)ccc21 ZINC000902331087 956705513 /nfs/dbraw/zinc/70/55/13/956705513.db2.gz CYISTMARAXUJNP-NSHDSACASA-N -1 0 340.217 3.544 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCc2ccc(-c3ccccc3)cc2C1 ZINC001589213618 956717674 /nfs/dbraw/zinc/71/76/74/956717674.db2.gz SQGNERWTXXLWFD-QFIPXVFZSA-N -1 0 349.430 3.739 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1cccc(Cl)c1Br ZINC001589218149 956742313 /nfs/dbraw/zinc/74/23/13/956742313.db2.gz OQFNROSUXDULDO-CYBMUJFWSA-N -1 0 346.608 3.542 20 0 EHADRM Cc1csc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)c1Cl ZINC000389165193 972209711 /nfs/dbraw/zinc/20/97/11/972209711.db2.gz URJKYXBWAUIUQN-NSHDSACASA-N -1 0 335.812 3.929 20 0 EHADRM Cc1c(Cl)cccc1C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC000389175509 972210576 /nfs/dbraw/zinc/21/05/76/972210576.db2.gz ZZCDIUATZYPBEJ-UHFFFAOYSA-N -1 0 338.816 3.765 20 0 EHADRM CC1(C)[C@@H](c2cccc(Cl)c2)CCN1C(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC000902647732 956759303 /nfs/dbraw/zinc/75/93/03/956759303.db2.gz VCAWAQOJRMEADR-RBSFLKMASA-N -1 0 335.831 3.545 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1ccc(Br)cc1Cl ZINC001589219673 956759719 /nfs/dbraw/zinc/75/97/19/956759719.db2.gz QCCILNAXTKCGDE-ZDUSSCGKSA-N -1 0 346.608 3.542 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)NCCCC(=O)[O-])[C@H](c2ccccc2)C1 ZINC001589224003 956780564 /nfs/dbraw/zinc/78/05/64/956780564.db2.gz GFLNIJYLDQIYAX-JKSUJKDBSA-N -1 0 332.444 3.513 20 0 EHADRM CC1(C)CCC[C@@H]1CCNC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001589225884 956793618 /nfs/dbraw/zinc/79/36/18/956793618.db2.gz NKFGVFHKHVYXIG-NVXWUHKLSA-N -1 0 344.455 3.596 20 0 EHADRM CC1(C)[C@@H](c2ccc(Cl)cc2)CCN1C(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC000902839234 956823072 /nfs/dbraw/zinc/82/30/72/956823072.db2.gz PCLDRSHNMJOEGZ-RBSFLKMASA-N -1 0 335.831 3.545 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC001594705597 956840122 /nfs/dbraw/zinc/84/01/22/956840122.db2.gz VWAWOBQUBFQGIH-UHFFFAOYSA-N -1 0 332.359 3.628 20 0 EHADRM COCCCC[C@H](NC(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001593993603 956862355 /nfs/dbraw/zinc/86/23/55/956862355.db2.gz YUADYCUZLAXGRY-SFHVURJKSA-N -1 0 341.407 3.673 20 0 EHADRM CC[C@H](C)c1ccccc1OS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000013068000 956923722 /nfs/dbraw/zinc/92/37/22/956923722.db2.gz VYBGLRDEJJQUAW-LBPRGKRZSA-N -1 0 334.393 3.666 20 0 EHADRM CCN(Cc1ccc(N2CCC(C(=O)[O-])CC2)o1)c1ccccc1 ZINC000904230599 956926066 /nfs/dbraw/zinc/92/60/66/956926066.db2.gz DSRLIJHCHOJKIF-UHFFFAOYSA-N -1 0 328.412 3.607 20 0 EHADRM CC[C@@H](C)c1ccc(NC(=O)COc2ccc(C(=O)[O-])cc2)cc1 ZINC000013079806 956930965 /nfs/dbraw/zinc/93/09/65/956930965.db2.gz SLQMXTSKTYVUSQ-CYBMUJFWSA-N -1 0 327.380 3.916 20 0 EHADRM COc1ccc(C(=O)[O-])c(OCC(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000013084019 956931989 /nfs/dbraw/zinc/93/19/89/956931989.db2.gz DFECTINVHAYIQP-UHFFFAOYSA-N -1 0 343.379 3.534 20 0 EHADRM CCc1cccc(C)c1NC(=O)COc1ccc(Cl)cc1C(=O)[O-] ZINC000013083620 956932246 /nfs/dbraw/zinc/93/22/46/956932246.db2.gz ZBZHVMBZJSUZSG-UHFFFAOYSA-N -1 0 347.798 3.927 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC001594716560 956936770 /nfs/dbraw/zinc/93/67/70/956936770.db2.gz XGAYWJJTCZAKEK-CYBMUJFWSA-N -1 0 342.153 3.688 20 0 EHADRM CCOc1ccc(OCCCC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000013166624 956947200 /nfs/dbraw/zinc/94/72/00/956947200.db2.gz GVMQLRYMJCBZKD-UHFFFAOYSA-N -1 0 343.379 3.581 20 0 EHADRM O=C([O-])c1cc(C(=O)N[C@H](CC2CCCCC2)c2ccccc2)[nH]n1 ZINC001594718945 956948610 /nfs/dbraw/zinc/94/86/10/956948610.db2.gz FIRMWXWFECJGMZ-OAHLLOKOSA-N -1 0 341.411 3.549 20 0 EHADRM C[C@]1(Cc2ccccc2)SCCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC001589248009 956950682 /nfs/dbraw/zinc/95/06/82/956950682.db2.gz WHIQKVZWXYMGEP-LJQANCHMSA-N -1 0 341.432 3.533 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccc(F)cc1 ZINC000013177108 956957462 /nfs/dbraw/zinc/95/74/62/956957462.db2.gz GRAOGGHQTGLTLN-SFHVURJKSA-N -1 0 341.382 3.650 20 0 EHADRM C[C@H](c1ccc(C(=O)NC(C)(C)CCC(=O)[O-])cc1)C(F)(F)F ZINC000908946022 956996228 /nfs/dbraw/zinc/99/62/28/956996228.db2.gz GQKKINUDNDWFFU-SNVBAGLBSA-N -1 0 331.334 3.726 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)c1csc(-c2cccs2)n1 ZINC000013261443 956999927 /nfs/dbraw/zinc/99/99/27/956999927.db2.gz CKSZKGDDBVJJDW-UHFFFAOYSA-N -1 0 330.390 3.822 20 0 EHADRM COCC[N@H+](Cc1cccc(C(=O)[O-])c1)Cc1ccc(C)cc1C ZINC001594012726 957011386 /nfs/dbraw/zinc/01/13/86/957011386.db2.gz XWHOOJBGHZQLJZ-UHFFFAOYSA-N -1 0 327.424 3.650 20 0 EHADRM C[C@@H](CCOCc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000389608880 972234379 /nfs/dbraw/zinc/23/43/79/972234379.db2.gz GITZEQKHRBKEMO-AWEZNQCLSA-N -1 0 342.395 3.502 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2ccc(F)c3occc32)c2ccccc21 ZINC001594727718 957020497 /nfs/dbraw/zinc/02/04/97/957020497.db2.gz UGHVAVAZLHDZMQ-GDBMZVCRSA-N -1 0 339.322 3.615 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)c2ccccc2-n2cccc2)c2ccccc21 ZINC001594728109 957021632 /nfs/dbraw/zinc/02/16/32/957021632.db2.gz WTPWQIXPUMFWDH-ZWKOTPCHSA-N -1 0 346.386 3.520 20 0 EHADRM O=C([O-])c1ccc(OCC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000013412274 957053717 /nfs/dbraw/zinc/05/37/17/957053717.db2.gz QSCKTHQVGBODJY-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)Cc1ccc2c(c1)CCO2 ZINC000013426476 957066928 /nfs/dbraw/zinc/06/69/28/957066928.db2.gz XFVMRYOOBIVGMH-UHFFFAOYSA-N -1 0 347.370 3.654 20 0 EHADRM Cc1ccc(SCCC(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC000013441397 957081715 /nfs/dbraw/zinc/08/17/15/957081715.db2.gz MKGUEZGWBCXQNA-UHFFFAOYSA-N -1 0 329.421 3.838 20 0 EHADRM COc1ccc(C(=O)NCCc2ccc(C(=O)[O-])cc2)c2ccccc12 ZINC000013443514 957084562 /nfs/dbraw/zinc/08/45/62/957084562.db2.gz BGQONHNCKWPWFR-UHFFFAOYSA-N -1 0 349.386 3.519 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCc1ccccc1Br ZINC000019514296 957115693 /nfs/dbraw/zinc/11/56/93/957115693.db2.gz SLOASTHIWUERDW-UHFFFAOYSA-N -1 0 337.169 3.735 20 0 EHADRM O=C([O-])c1ccc(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000020362523 957139494 /nfs/dbraw/zinc/13/94/94/957139494.db2.gz XCEMQXOCQSMCMV-UHFFFAOYSA-N -1 0 345.203 3.666 20 0 EHADRM CC(C)(C)[C@H](NC(=O)/C=C/c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000035389892 957207524 /nfs/dbraw/zinc/20/75/24/957207524.db2.gz COGCRXINLURMHA-MUBLQREKSA-N -1 0 330.211 3.622 20 0 EHADRM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1sccc1C(=O)[O-] ZINC000037450554 957292830 /nfs/dbraw/zinc/29/28/30/957292830.db2.gz GJMVRATXEUDDTE-MRVPVSSYSA-N -1 0 325.773 3.506 20 0 EHADRM C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccsc1C(=O)[O-] ZINC000037451961 957298341 /nfs/dbraw/zinc/29/83/41/957298341.db2.gz QNRQPJCTHMZUPU-QMMMGPOBSA-N -1 0 325.773 3.506 20 0 EHADRM CN(Cc1ccccc1Br)[C@@H](C(=O)[O-])c1ccccc1 ZINC000048892598 957469312 /nfs/dbraw/zinc/46/93/12/957469312.db2.gz XQOGZKPVNGFLQO-OAHLLOKOSA-N -1 0 334.213 3.707 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000062873378 957617330 /nfs/dbraw/zinc/61/73/30/957617330.db2.gz OBLPXMNIOPHBRM-AWEZNQCLSA-N -1 0 331.199 3.712 20 0 EHADRM CC(C)Oc1ccc(C#N)cc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000067456265 957644722 /nfs/dbraw/zinc/64/47/22/957644722.db2.gz KJHBEGPAHNKSEI-UHFFFAOYSA-N -1 0 344.411 3.709 20 0 EHADRM Cc1cc(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)c(C)cc1Cl ZINC001594275890 957716475 /nfs/dbraw/zinc/71/64/75/957716475.db2.gz JUNJTMXKSXNDNO-SFHVURJKSA-N -1 0 331.799 3.687 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])nc2ccccc12 ZINC001594277914 957727326 /nfs/dbraw/zinc/72/73/26/957727326.db2.gz PNLUZWZHZGRUMO-HNNXBMFYSA-N -1 0 328.412 3.553 20 0 EHADRM C[C@H](Oc1cccc(F)c1)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000390485484 972288267 /nfs/dbraw/zinc/28/82/67/972288267.db2.gz GIQHZHFCSJGUBT-VIFPVBQESA-N -1 0 337.734 3.583 20 0 EHADRM Cc1cc(C(=O)Nc2scc(-c3ccsc3)c2C(=O)[O-])on1 ZINC001594281477 957750673 /nfs/dbraw/zinc/75/06/73/957750673.db2.gz PNWDORKHGABACW-UHFFFAOYSA-N -1 0 334.378 3.724 20 0 EHADRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)NC1(C(=O)[O-])CCCCC1 ZINC001332557463 957766859 /nfs/dbraw/zinc/76/68/59/957766859.db2.gz CEGUIMZGXUSKHB-UHFFFAOYSA-N -1 0 334.803 3.647 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)C2Cc3ccccc3C2)c1Cl ZINC001574788380 957795762 /nfs/dbraw/zinc/79/57/62/957795762.db2.gz QGVXCVVAQCWHAG-UHFFFAOYSA-N -1 0 333.746 3.531 20 0 EHADRM CSC[C@H]1CCCN(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000390568933 972294029 /nfs/dbraw/zinc/29/40/29/972294029.db2.gz VJYPJHCKSJGXSB-JTQLQIEISA-N -1 0 342.848 3.645 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)O[C@@H]2c3ccccc3OC[C@H]2C)c1 ZINC001594289691 957818788 /nfs/dbraw/zinc/81/87/88/957818788.db2.gz YFXQSYWCXCQLGJ-PXAZEXFGSA-N -1 0 326.348 3.620 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2CCC[C@@H](c3ccccc3)CC2)nc1 ZINC001574796093 957819634 /nfs/dbraw/zinc/81/96/34/957819634.db2.gz LOTUQAPGEWBHNX-WBVHZDCISA-N -1 0 338.407 3.626 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)nc1 ZINC001574804609 957851290 /nfs/dbraw/zinc/85/12/90/957851290.db2.gz JRVUFUJLDQILCC-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2cc3n[nH]cc3c(C(F)(F)F)c2)c1 ZINC001574806984 957859028 /nfs/dbraw/zinc/85/90/28/957859028.db2.gz BMHMRZXGWBHQGP-UHFFFAOYSA-N -1 0 349.268 3.532 20 0 EHADRM O=C([O-])c1cccc(NC(=O)C2(c3ccnc4ccccc43)CC2)c1 ZINC001574809058 957866761 /nfs/dbraw/zinc/86/67/61/957866761.db2.gz FMXKGNKRLMIEAE-UHFFFAOYSA-N -1 0 332.359 3.603 20 0 EHADRM CC[C@H](NC(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1ccccc1OC ZINC001339813730 957883796 /nfs/dbraw/zinc/88/37/96/957883796.db2.gz WWKGKMLBAMXEFA-ZBFHGGJFSA-N -1 0 348.443 3.575 20 0 EHADRM Cc1c(NC(=O)CSCc2ccc(F)cc2)cccc1C(=O)[O-] ZINC000390713036 972300580 /nfs/dbraw/zinc/30/05/80/972300580.db2.gz JIJSTKLHTKUDJB-UHFFFAOYSA-N -1 0 333.384 3.704 20 0 EHADRM COc1ccc(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1Cl ZINC000391011021 972311750 /nfs/dbraw/zinc/31/17/50/972311750.db2.gz WHFQONWWACMDGC-OAHLLOKOSA-N -1 0 331.799 3.533 20 0 EHADRM Cc1cc(NC(=O)N2C[C@@H](C)OC3(CCCCC3)C2)ccc1C(=O)[O-] ZINC001594318491 958099426 /nfs/dbraw/zinc/09/94/26/958099426.db2.gz YGOHPLOXCGBXEV-CQSZACIVSA-N -1 0 346.427 3.649 20 0 EHADRM CC(F)(F)c1cc(F)ccc1NC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001603211084 972325801 /nfs/dbraw/zinc/32/58/01/972325801.db2.gz UBBKVLYWGIXMQM-MRXNPFEDSA-N -1 0 327.302 3.687 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc3c(o2)c(F)ccc3C)C1 ZINC001355043483 958170686 /nfs/dbraw/zinc/17/06/86/958170686.db2.gz QFQARCQVIOEJNX-SFHVURJKSA-N -1 0 333.359 3.597 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@@H]2CCSc3ccccc32)C1 ZINC001356547328 958175569 /nfs/dbraw/zinc/17/55/69/958175569.db2.gz FRXXJPRGRLBWMS-RDTXWAMCSA-N -1 0 348.468 3.510 20 0 EHADRM Cc1cc2ccccc2nc1C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001594332317 958238262 /nfs/dbraw/zinc/23/82/62/958238262.db2.gz RBNVQTHZOXICEA-SJLPKXTDSA-N -1 0 346.386 3.586 20 0 EHADRM Cc1ccc(-c2ncccc2NC(=O)NC[C@@H](C(=O)[O-])C(C)C)s1 ZINC001594337303 958274335 /nfs/dbraw/zinc/27/43/35/958274335.db2.gz HXQSBGBUBXQMFE-GFCCVEGCSA-N -1 0 347.440 3.597 20 0 EHADRM Cc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])C[C@H](C)O[C@H]3C)o1 ZINC001594347771 958331154 /nfs/dbraw/zinc/33/11/54/958331154.db2.gz UEBPCTVBBSJZEB-IUCAKERBSA-N -1 0 335.381 3.622 20 0 EHADRM COc1ccc(CN(C)C(=O)c2cc(C)cc(C(=O)[O-])c2)cc1Cl ZINC001594091988 958353596 /nfs/dbraw/zinc/35/35/96/958353596.db2.gz FMKLNDZTBSUGAM-UHFFFAOYSA-N -1 0 347.798 3.627 20 0 EHADRM Cc1ccc(C)n1-c1sccc1C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001594353520 958384067 /nfs/dbraw/zinc/38/40/67/958384067.db2.gz QNIOLSAZGYLEIE-UHFFFAOYSA-N -1 0 341.392 3.501 20 0 EHADRM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001594354024 958393419 /nfs/dbraw/zinc/39/34/19/958393419.db2.gz KLFAEYMXFMYCTB-OWSLCNJRSA-N -1 0 344.455 3.526 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)COc1ccc(C(C)C)cc1 ZINC000391548222 972345719 /nfs/dbraw/zinc/34/57/19/972345719.db2.gz IYKDEXHYIDBJFQ-UHFFFAOYSA-N -1 0 333.409 3.896 20 0 EHADRM Cc1ccc(CN(C(=O)c2ccc(C(=O)[O-])cn2)C(C)(C)C)cc1 ZINC001594359021 958434730 /nfs/dbraw/zinc/43/47/30/958434730.db2.gz PWYMZVQUZPKOBR-UHFFFAOYSA-N -1 0 326.396 3.529 20 0 EHADRM O=C([O-])CCCC(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000124343103 958527146 /nfs/dbraw/zinc/52/71/46/958527146.db2.gz BUGQCTHIEAZUKX-UHFFFAOYSA-N -1 0 336.185 3.796 20 0 EHADRM C=COc1ccc(NC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC001588474682 958558500 /nfs/dbraw/zinc/55/85/00/958558500.db2.gz NADQLRNDIJKIHE-IRXDYDNUSA-N -1 0 338.363 3.644 20 0 EHADRM COc1ccc2cc(/C=C/C(=O)Nc3ccnc(C(=O)[O-])c3)ccc2c1 ZINC001594118408 958579794 /nfs/dbraw/zinc/57/97/94/958579794.db2.gz LOJBRJCRAKQYFF-XVNBXDOJSA-N -1 0 348.358 3.594 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC001594123220 958609236 /nfs/dbraw/zinc/60/92/36/958609236.db2.gz FQHKFNXZDLJUFH-RKVPGOIHSA-N -1 0 347.455 3.538 20 0 EHADRM Cc1ccc(Sc2ccc(NC(=O)NCC(=O)[O-])cc2)c(C)c1 ZINC001594378270 958610198 /nfs/dbraw/zinc/61/01/98/958610198.db2.gz VFWJAENTCVYRRW-UHFFFAOYSA-N -1 0 330.409 3.661 20 0 EHADRM C[C@@H](C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)c1cc2ccccc2o1 ZINC001573364315 958614413 /nfs/dbraw/zinc/61/44/13/958614413.db2.gz RBZWQGSJIBMZEG-ZUOKHONESA-N -1 0 337.375 3.653 20 0 EHADRM Cc1ccc2cc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])ccc2n1 ZINC001594382309 958646130 /nfs/dbraw/zinc/64/61/30/958646130.db2.gz ZHCUBCKCHJFFJE-INIZCTEOSA-N -1 0 328.412 3.553 20 0 EHADRM Cc1ccc2nc(NC(=O)/C=C/c3ccc(C(=O)[O-])o3)sc2c1 ZINC001594385468 958657676 /nfs/dbraw/zinc/65/76/76/958657676.db2.gz PWIXPVRFSRBJFA-QPJJXVBHSA-N -1 0 328.349 3.548 20 0 EHADRM Cc1ccc(NC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)c(C(=O)[O-])c1 ZINC000391776895 972370155 /nfs/dbraw/zinc/37/01/55/972370155.db2.gz NVFIOJAFNWKHGO-TZMCWYRMSA-N -1 0 327.380 3.981 20 0 EHADRM O=C([O-])c1ccccc1COc1cc(Br)ccc1F ZINC000132021305 958761407 /nfs/dbraw/zinc/76/14/07/958761407.db2.gz MWANFMPQKIZNTI-UHFFFAOYSA-N -1 0 325.133 3.865 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000391829438 972380544 /nfs/dbraw/zinc/38/05/44/972380544.db2.gz FPLJOGRWKOGNSG-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM CC(C)(C)c1ccc(OCCCC(=O)N2CCC[C@]2(C)C(=O)[O-])cc1 ZINC001573462507 958918563 /nfs/dbraw/zinc/91/85/63/958918563.db2.gz CSEFVOGCMXVAOI-HXUWFJFHSA-N -1 0 347.455 3.609 20 0 EHADRM Cc1cccc2c(CC(=O)N3CCCc4cc(C(=O)[O-])ccc43)c[nH]c21 ZINC001594411380 958951223 /nfs/dbraw/zinc/95/12/23/958951223.db2.gz TTXUTBMNGHJNES-UHFFFAOYSA-N -1 0 348.402 3.696 20 0 EHADRM CC(C)(CNC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccc(Cl)cc1 ZINC001573474858 958958476 /nfs/dbraw/zinc/95/84/76/958958476.db2.gz OLXCNYWDSASDSN-NTMALXAHSA-N -1 0 347.798 3.738 20 0 EHADRM Cc1ccccc1[C@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])COCC2 ZINC001594416039 959005158 /nfs/dbraw/zinc/00/51/58/959005158.db2.gz ZXASUMQSRKGNLT-NSHDSACASA-N -1 0 345.420 3.570 20 0 EHADRM C[C@H](C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC001588549134 959009572 /nfs/dbraw/zinc/00/95/72/959009572.db2.gz SFZSQZLHPPTJPZ-GVXVVHGQSA-N -1 0 343.345 3.521 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)C2(C(=O)[O-])CCCCC2)C1 ZINC001594416980 959012993 /nfs/dbraw/zinc/01/29/93/959012993.db2.gz QDLIHNYVEPLEJR-HZPDHXFCSA-N -1 0 329.440 3.735 20 0 EHADRM Cc1ccccc1[C@]1(F)CCN(C(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)C1 ZINC001594417124 959015394 /nfs/dbraw/zinc/01/53/94/959015394.db2.gz UHJCEMQBYKHRFF-IBGZPJMESA-N -1 0 347.430 3.529 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1ccc(C(C)(C)C)c(Cl)c1)C(=O)[O-] ZINC001573497881 959035510 /nfs/dbraw/zinc/03/55/10/959035510.db2.gz CMZRKBAAGMRTIS-GFCCVEGCSA-N -1 0 325.836 3.724 20 0 EHADRM C[C@H](NC(=O)C1(C(=O)[O-])CC1)c1ccc(Oc2ccccc2)cc1 ZINC000154847023 959039209 /nfs/dbraw/zinc/03/92/09/959039209.db2.gz IESMDXCBSDLVOY-ZDUSSCGKSA-N -1 0 325.364 3.521 20 0 EHADRM Cc1oc(COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000391983838 972397243 /nfs/dbraw/zinc/39/72/43/972397243.db2.gz CLTRDTJLUJJKBE-UHFFFAOYSA-N -1 0 345.229 3.792 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)Cc1ccccc1C(=O)[O-])C(C)(C)C ZINC001594420547 959057656 /nfs/dbraw/zinc/05/76/56/959057656.db2.gz LCGFZVVRZRAOTC-GOSISDBHSA-N -1 0 340.423 3.534 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)cc1 ZINC001573539469 959184965 /nfs/dbraw/zinc/18/49/65/959184965.db2.gz LTTMWIFFLWASIH-CRAIPNDOSA-N -1 0 331.456 3.529 20 0 EHADRM Cc1cnccc1/C=C\C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001594433721 959203839 /nfs/dbraw/zinc/20/38/39/959203839.db2.gz PYHXFHPBAVPLKB-DJWKRKHSSA-N -1 0 334.734 3.533 20 0 EHADRM CSc1ccccc1[C@H](C)NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001594197919 959213456 /nfs/dbraw/zinc/21/34/56/959213456.db2.gz LLCCKFKAWFRVNA-UQSGXBNBSA-N -1 0 331.393 3.590 20 0 EHADRM Cc1ccc(Br)c(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000164171844 959255300 /nfs/dbraw/zinc/25/53/00/959255300.db2.gz FUCLBOKVHSOKDW-GHMZBOCLSA-N -1 0 340.217 3.587 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)O[C@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC001588586973 959318955 /nfs/dbraw/zinc/31/89/55/959318955.db2.gz UZKQMAANXPUJJZ-HZGVNTEJSA-N -1 0 344.207 3.573 20 0 EHADRM C[C@H](C(=O)[O-])c1noc(COc2ccc(Cl)c3ccccc23)n1 ZINC001588601610 959426853 /nfs/dbraw/zinc/42/68/53/959426853.db2.gz GKWHGETWFQDZMP-VIFPVBQESA-N -1 0 332.743 3.643 20 0 EHADRM C[C@@H](C(=O)[O-])c1noc(COC(c2ccccc2)c2ccccc2)n1 ZINC001588604139 959465473 /nfs/dbraw/zinc/46/54/73/959465473.db2.gz ZTMOQTLCMCCUIK-CYBMUJFWSA-N -1 0 338.363 3.564 20 0 EHADRM C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)C1(CC(=O)[O-])CCC1 ZINC001573608677 959468995 /nfs/dbraw/zinc/46/89/95/959468995.db2.gz WFPFHIDPBXVZGK-CQSZACIVSA-N -1 0 347.455 3.513 20 0 EHADRM Cc1nc2cc(NC(=O)N3CCC[C@H](CCC(=O)[O-])C3)ccc2s1 ZINC001594463111 959475248 /nfs/dbraw/zinc/47/52/48/959475248.db2.gz NSAFVKYLTPYZAV-GFCCVEGCSA-N -1 0 347.440 3.713 20 0 EHADRM C[C@H](NC(=O)C1(C(=O)[O-])CC=CC1)c1cc(Cl)cc(Cl)c1F ZINC001573611703 959487331 /nfs/dbraw/zinc/48/73/31/959487331.db2.gz XUKKEFWFAWTTQV-QMMMGPOBSA-N -1 0 346.185 3.731 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)Nc1nc2ccccn2c1C(=O)[O-] ZINC001594233534 959492896 /nfs/dbraw/zinc/49/28/96/959492896.db2.gz TWTHGKDTWAUNTM-GFCCVEGCSA-N -1 0 329.400 3.578 20 0 EHADRM COc1ccccc1C1(CNC(=O)CC(C)(C)CC(=O)[O-])CCCC1 ZINC000190622181 959514234 /nfs/dbraw/zinc/51/42/34/959514234.db2.gz VDTZWASKTGWXJN-UHFFFAOYSA-N -1 0 347.455 3.514 20 0 EHADRM Cc1ncc(CC(=O)Nc2scc(-c3ccsc3)c2C(=O)[O-])o1 ZINC001594468283 959523047 /nfs/dbraw/zinc/52/30/47/959523047.db2.gz RHZFDNHDZAACEK-UHFFFAOYSA-N -1 0 348.405 3.652 20 0 EHADRM CC[C@@H](C)n1ncc(C(=O)Nc2cc(C(=O)[O-])ccc2F)c1C1CC1 ZINC000191059170 959538919 /nfs/dbraw/zinc/53/89/19/959538919.db2.gz ZGZBVGNKECVKGS-SNVBAGLBSA-N -1 0 345.374 3.821 20 0 EHADRM C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)CC(C)(C)CC(=O)[O-] ZINC000191141196 959542261 /nfs/dbraw/zinc/54/22/61/959542261.db2.gz MOQYHMVMUNZJBB-SNVBAGLBSA-N -1 0 346.254 3.932 20 0 EHADRM CCCC[C@@H](NC(=O)c1cc(-c2ccccn2)ccc1Cl)C(=O)[O-] ZINC000191233837 959547702 /nfs/dbraw/zinc/54/77/02/959547702.db2.gz ZXCWULTYDRBOQW-MRXNPFEDSA-N -1 0 346.814 3.775 20 0 EHADRM Cc1cc(F)c(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1F ZINC000191410289 959562039 /nfs/dbraw/zinc/56/20/39/959562039.db2.gz VLQCUJXTMIORAM-NSHDSACASA-N -1 0 333.334 3.789 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)c3ccc(C(=O)[O-])o3)c2)cs1 ZINC000191557724 959583625 /nfs/dbraw/zinc/58/36/25/959583625.db2.gz WNBSGCJXZCNZLP-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM Cc1cc(C)cc(C2=CCN(C(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)CC2)c1 ZINC000193022294 959606737 /nfs/dbraw/zinc/60/67/37/959606737.db2.gz SYDWJVLYAZIWDW-ROUUACIJSA-N -1 0 341.451 3.810 20 0 EHADRM Cc1cc(C)cc(C2=CCN(C(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)CC2)c1 ZINC000193022282 959607936 /nfs/dbraw/zinc/60/79/36/959607936.db2.gz SYDWJVLYAZIWDW-MSOLQXFVSA-N -1 0 341.451 3.810 20 0 EHADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001573641183 959610592 /nfs/dbraw/zinc/61/05/92/959610592.db2.gz AWHZCALKRSHRQK-SNVBAGLBSA-N -1 0 333.775 3.658 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C(=O)COCC(=O)[O-])c1ccccc1 ZINC001573642913 959625331 /nfs/dbraw/zinc/62/53/31/959625331.db2.gz LDYKXPGWUBVHAI-CYBMUJFWSA-N -1 0 347.798 3.535 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000199944611 959636929 /nfs/dbraw/zinc/63/69/29/959636929.db2.gz JBRGMFYOKDTSDL-BAQGIRSFSA-N -1 0 346.726 3.598 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N[C@@H]1CCc2cccc3cccc1c32 ZINC001588636132 959662411 /nfs/dbraw/zinc/66/24/11/959662411.db2.gz XABVLWRMCJGDLQ-NVXWUHKLSA-N -1 0 325.408 3.690 20 0 EHADRM CC1(C)C[C@H](NC(=O)c2cccc(C(=O)[O-])c2)c2cc(F)ccc2O1 ZINC001573663974 959680335 /nfs/dbraw/zinc/68/03/35/959680335.db2.gz CIKCWXKTSXUYLD-HNNXBMFYSA-N -1 0 343.354 3.556 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Oc1ccc(Oc2ccccn2)cc1 ZINC001588641138 959696726 /nfs/dbraw/zinc/69/67/26/959696726.db2.gz XJRNVMZPOPLSSQ-HNNXBMFYSA-N -1 0 329.352 3.526 20 0 EHADRM CC1(C)CCN(C(=O)C2(CC(=O)[O-])CCC2)C[C@@H]1c1ccccc1 ZINC001573667509 959702404 /nfs/dbraw/zinc/70/24/04/959702404.db2.gz MWEVFTFCIWGEDJ-MRXNPFEDSA-N -1 0 329.440 3.674 20 0 EHADRM CC(C)(C)[C@H]1Cc2ccccc2N(C(=O)C2(C(=O)[O-])CC=CC2)C1 ZINC001588642695 959704202 /nfs/dbraw/zinc/70/42/02/959704202.db2.gz JIJJWTWZOPFAOY-HNNXBMFYSA-N -1 0 327.424 3.659 20 0 EHADRM Cc1c(F)cccc1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001594263512 959727502 /nfs/dbraw/zinc/72/75/02/959727502.db2.gz ZBOFNLMSAYXKRJ-CJNGLKHVSA-N -1 0 328.343 3.569 20 0 EHADRM Cc1c(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])noc1C(C)(C)C ZINC001594266224 959739342 /nfs/dbraw/zinc/73/93/42/959739342.db2.gz DTOXEFSRHMUDRM-LBPRGKRZSA-N -1 0 337.420 3.532 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)Nc1cccnc1C(=O)[O-] ZINC001594268551 959772270 /nfs/dbraw/zinc/77/22/70/959772270.db2.gz GPMKCUPPTITJEU-NSHDSACASA-N -1 0 339.351 3.717 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)OC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001594269154 959782078 /nfs/dbraw/zinc/78/20/78/959782078.db2.gz YGICYGBJBFDOTP-BFHYXJOUSA-N -1 0 346.379 3.615 20 0 EHADRM Cc1cc(Br)c(NC(=O)[C@H](C(=O)[O-])C(C)C)cc1Cl ZINC001594269895 959789954 /nfs/dbraw/zinc/78/99/54/959789954.db2.gz CWFLGMMVTJPYPQ-LLVKDONJSA-N -1 0 348.624 3.706 20 0 EHADRM CC1CC(C(=O)Nc2ccc(C(=O)[O-])cn2)(c2cccc(Cl)c2)C1 ZINC001573698180 959800370 /nfs/dbraw/zinc/80/03/70/959800370.db2.gz IQECYAYNRDRHPY-UHFFFAOYSA-N -1 0 344.798 3.740 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc(C(C)(C)C)c(F)c2)C1 ZINC001573700721 959830333 /nfs/dbraw/zinc/83/03/33/959830333.db2.gz ZDLUEIAXRUPNNC-NWDGAFQWSA-N -1 0 336.407 3.698 20 0 EHADRM C[C@H]1CCCN(C(=O)CCc2ccc(-c3ccccc3)o2)[C@@H]1C(=O)[O-] ZINC001573725147 959891653 /nfs/dbraw/zinc/89/16/53/959891653.db2.gz BTXVRNUZWFJLBV-LIRRHRJNSA-N -1 0 341.407 3.591 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC[C@H]1CCC2(CCCC2)O1 ZINC000392514234 972492439 /nfs/dbraw/zinc/49/24/39/972492439.db2.gz FODHRADWBUUJHO-KEDPEKRHSA-N -1 0 332.396 3.664 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)c1cc(Cl)c(F)cc1Cl ZINC001588654040 960407510 /nfs/dbraw/zinc/40/75/10/960407510.db2.gz SLRIXQWXICRSHL-UHFFFAOYSA-N -1 0 336.190 3.705 20 0 EHADRM COc1cccc(C[C@H](C)CC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC001574231775 960408663 /nfs/dbraw/zinc/40/86/63/960408663.db2.gz AOCYYIQABGMYEL-YOEHRIQHSA-N -1 0 349.471 3.660 20 0 EHADRM O=C([O-])c1ccc(CN2CCc3cc(Cl)cc(Cl)c3C2)o1 ZINC001140948429 960508263 /nfs/dbraw/zinc/50/82/63/960508263.db2.gz GYOWNPAMDJNJAY-UHFFFAOYSA-N -1 0 326.179 3.843 20 0 EHADRM Cc1cccc(C(=O)Nc2ccsc2C(=O)[O-])c1Br ZINC000235916150 960531481 /nfs/dbraw/zinc/53/14/81/960531481.db2.gz FRYFPMOQGGEJNH-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM C[C@@H](SCC(=O)[O-])c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC001603281200 972510131 /nfs/dbraw/zinc/51/01/31/972510131.db2.gz HIMRKMNSOMAEFZ-SSDOTTSWSA-N -1 0 332.303 3.634 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)N[C@H]1CCCC12CCCCC2 ZINC001605806474 972518681 /nfs/dbraw/zinc/51/86/81/972518681.db2.gz HFQJXYXIYVGVNZ-INIZCTEOSA-N -1 0 330.428 3.687 20 0 EHADRM C[C@@H]1Cc2ccccc2N1Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001573757020 960563775 /nfs/dbraw/zinc/56/37/75/960563775.db2.gz FOKXHYOWCGFPIM-ZBFHGGJFSA-N -1 0 340.423 3.532 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000392729731 972514318 /nfs/dbraw/zinc/51/43/18/972514318.db2.gz YIGBUXHGMXZJEI-CQSZACIVSA-N -1 0 348.443 3.829 20 0 EHADRM CC[C@@](C)(NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccc(F)cc1 ZINC001573770285 960661038 /nfs/dbraw/zinc/66/10/38/960661038.db2.gz OIWWNTYAHMENCG-SXAWMYDMSA-N -1 0 331.343 3.572 20 0 EHADRM CC[C@@H](CC(F)F)C(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21 ZINC001573776578 960692922 /nfs/dbraw/zinc/69/29/22/960692922.db2.gz VDGBVTDWXGGILV-STQMWFEESA-N -1 0 339.382 3.738 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001574297856 960704276 /nfs/dbraw/zinc/70/42/76/960704276.db2.gz JUFSPDGNNZMQFF-UHFFFAOYSA-N -1 0 330.340 3.694 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000236617877 960717552 /nfs/dbraw/zinc/71/75/52/960717552.db2.gz FHARJDSUPZPQJT-SQNIBIBYSA-N -1 0 325.408 3.559 20 0 EHADRM C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001603286862 972527600 /nfs/dbraw/zinc/52/76/00/972527600.db2.gz NEWRBBPLDNVFNM-CXAGYDPISA-N -1 0 339.395 3.580 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)/C=C/c1ccccc1 ZINC000236633134 960720289 /nfs/dbraw/zinc/72/02/89/960720289.db2.gz MFYHJOFEMVZBIT-DHZHZOJOSA-N -1 0 325.364 3.824 20 0 EHADRM CC(C)(C)c1ncc(/C=C/C(=O)Nc2ccc(C(=O)[O-])cc2)s1 ZINC000236638645 960721656 /nfs/dbraw/zinc/72/16/56/960721656.db2.gz ZIYVWYAOEVUINY-CMDGGOBGSA-N -1 0 330.409 3.791 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)c1cc2ccc(F)cc2s1 ZINC001605808757 972528086 /nfs/dbraw/zinc/52/80/86/972528086.db2.gz ZEDCKGHAIVKAEL-UHFFFAOYSA-N -1 0 329.352 3.669 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(c2nc(-c3ccccc3)nc3ccccc32)C1 ZINC001261372559 960729211 /nfs/dbraw/zinc/72/92/11/960729211.db2.gz AKMDMXYZUQYAID-FQEVSTJZSA-N -1 0 333.391 3.598 20 0 EHADRM CC(C)Oc1ccc(CC[C@H](C)NC(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000236706644 960738352 /nfs/dbraw/zinc/73/83/52/960738352.db2.gz OJEBOIMEBJKUEM-ZDUSSCGKSA-N -1 0 345.395 3.516 20 0 EHADRM CCCCCOc1ccc(C(=O)Nc2nc(CC(=O)[O-])cs2)cc1 ZINC000236774079 960755944 /nfs/dbraw/zinc/75/59/44/960755944.db2.gz HDLROFKKXIHSFO-UHFFFAOYSA-N -1 0 348.424 3.592 20 0 EHADRM CC(C)(C)c1ncsc1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000236771684 960756702 /nfs/dbraw/zinc/75/67/02/960756702.db2.gz ZFGBXYUDTIEUEO-UHFFFAOYSA-N -1 0 348.424 3.546 20 0 EHADRM CCCCC[C@@H](NC(=O)c1ccc(Oc2ccccc2)o1)C(=O)[O-] ZINC000236845063 960772391 /nfs/dbraw/zinc/77/23/91/960772391.db2.gz LUKQQQQNOAKXDZ-CQSZACIVSA-N -1 0 331.368 3.835 20 0 EHADRM CC[C@@H](C)[N@H+](CC(=O)[O-])Cc1c(C)nn(-c2ccccc2)c1Cl ZINC000236857697 960777840 /nfs/dbraw/zinc/77/78/40/960777840.db2.gz ZHEGLVWRZJVLPX-GFCCVEGCSA-N -1 0 335.835 3.519 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N(CCc2ccc(F)cc2)C2CC2)c1 ZINC001574315414 960779962 /nfs/dbraw/zinc/77/99/62/960779962.db2.gz MJQBJJJZYLOJAR-UHFFFAOYSA-N -1 0 341.382 3.680 20 0 EHADRM CCCCc1ccc(CC(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000236897092 960791811 /nfs/dbraw/zinc/79/18/11/960791811.db2.gz VVKGEHFIFLUQDU-INIZCTEOSA-N -1 0 345.464 3.965 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)NCc1ccc(C(=O)[O-])c(OC)c1 ZINC000236939525 960805875 /nfs/dbraw/zinc/80/58/75/960805875.db2.gz JIROIAJSJHJLMY-HNNXBMFYSA-N -1 0 333.428 3.616 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000236949410 960808019 /nfs/dbraw/zinc/80/80/19/960808019.db2.gz POIYINLDWONXHV-RDJZCZTQSA-N -1 0 331.456 3.846 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000237021816 960840043 /nfs/dbraw/zinc/84/00/43/960840043.db2.gz XEJUVAACUKTDNT-HWPZZCPQSA-N -1 0 346.254 3.932 20 0 EHADRM CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(CC)[C@H](C)C(=O)[O-] ZINC001573809150 960869921 /nfs/dbraw/zinc/86/99/21/960869921.db2.gz LQJBUIJWKHAREZ-DGCLKSJQSA-N -1 0 345.361 3.596 20 0 EHADRM CCc1ccc(CCC(=O)Nc2ccc(OCC(=O)[O-])cc2C)cc1 ZINC000237167560 960880660 /nfs/dbraw/zinc/88/06/60/960880660.db2.gz RZLREGSYEMHWJV-UHFFFAOYSA-N -1 0 341.407 3.592 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000237237990 960894618 /nfs/dbraw/zinc/89/46/18/960894618.db2.gz OGAHDWKQULLGKI-CYBMUJFWSA-N -1 0 327.380 3.834 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000237270528 960898748 /nfs/dbraw/zinc/89/87/48/960898748.db2.gz ANSZGGRYZUAXFI-UHFFFAOYSA-N -1 0 327.424 3.560 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)CCc2cccc(Cl)c2)cc1 ZINC001319217152 960923882 /nfs/dbraw/zinc/92/38/82/960923882.db2.gz IBGYQWATXCIKJC-KRWDZBQOSA-N -1 0 345.826 3.913 20 0 EHADRM COc1ccc(N(C(=O)c2ccc(C(=O)[O-])s2)[C@@H](C)C2CC2)cc1 ZINC000237457202 960937028 /nfs/dbraw/zinc/93/70/28/960937028.db2.gz OCYYVXYECFQJAR-NSHDSACASA-N -1 0 345.420 3.900 20 0 EHADRM C[C@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC000237477370 960941037 /nfs/dbraw/zinc/94/10/37/960941037.db2.gz BNCFKVJAHLBDCD-NSHDSACASA-N -1 0 349.839 3.835 20 0 EHADRM Cc1cc2c(CC(=O)N3CCC[C@H](C)[C@H]3C(=O)[O-])csc2s1 ZINC001574344168 960957119 /nfs/dbraw/zinc/95/71/19/960957119.db2.gz DWABYCSCPWGIQO-XPTSAGLGSA-N -1 0 337.466 3.525 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cnn(C2CCCCC2)c1 ZINC001319794358 960957010 /nfs/dbraw/zinc/95/70/10/960957010.db2.gz XCSQHEGGMRUAIR-UHFFFAOYSA-N -1 0 327.384 3.647 20 0 EHADRM Cc1ccsc1[C@H]1C[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001319850960 960962223 /nfs/dbraw/zinc/96/22/23/960962223.db2.gz ISKZYAQJBMTRNC-XHSDSOJGSA-N -1 0 343.448 3.801 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])o1)c1cccc(Cl)c1Cl ZINC000237600559 960969703 /nfs/dbraw/zinc/96/97/03/960969703.db2.gz ZVKZJLLRHDAMKC-ZETCQYMHSA-N -1 0 328.151 3.776 20 0 EHADRM Cc1cc(O[C@@H](C)C(=O)Nc2cccc(C(=O)[O-])c2)ccc1Cl ZINC000237614351 960974407 /nfs/dbraw/zinc/97/44/07/960974407.db2.gz FWMSBJPQEBPWAF-NSHDSACASA-N -1 0 333.771 3.753 20 0 EHADRM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C(=O)[O-])c1 ZINC000237661027 960989845 /nfs/dbraw/zinc/98/98/45/960989845.db2.gz QYWBYSMEXGCVPM-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2Cl)cc1C(=O)[O-] ZINC000237691194 960997343 /nfs/dbraw/zinc/99/73/43/960997343.db2.gz JMSCVAXBNVMLES-NSHDSACASA-N -1 0 333.771 3.753 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N[C@H]3CCC[C@@H]3C(=O)[O-])c(F)c2)cc1 ZINC000237716015 961007160 /nfs/dbraw/zinc/00/71/60/961007160.db2.gz RXVJIVMWVNXQGI-WMZOPIPTSA-N -1 0 341.382 3.784 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc3cccc(F)c3o2)cc1 ZINC001322656335 961008629 /nfs/dbraw/zinc/00/86/29/961008629.db2.gz IVYSYJCBGZPDJR-OAHLLOKOSA-N -1 0 341.338 3.826 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc3cc(F)ccc3o2)cc1 ZINC001324011645 961024507 /nfs/dbraw/zinc/02/45/07/961024507.db2.gz OAENDCOXIUSECI-HNNXBMFYSA-N -1 0 341.338 3.826 20 0 EHADRM O=C([O-])CNC(=O)c1oc2ccccc2c1CSC1CCCCC1 ZINC000237935343 961044278 /nfs/dbraw/zinc/04/42/78/961044278.db2.gz VVMMYANDCMFMDT-UHFFFAOYSA-N -1 0 347.436 3.813 20 0 EHADRM Cc1ccc(CNC(=O)c2ccc(OCC(=O)[O-])cc2)c2ccccc12 ZINC001574367478 961049525 /nfs/dbraw/zinc/04/95/25/961049525.db2.gz ILYZBLKWKKFKGV-UHFFFAOYSA-N -1 0 349.386 3.542 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)nc1 ZINC000237971962 961060544 /nfs/dbraw/zinc/06/05/44/961060544.db2.gz JPKSPXFZQHWAPT-UHFFFAOYSA-N -1 0 346.386 3.622 20 0 EHADRM CCCC[C@H](C)C(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)[O-] ZINC001573840639 961067215 /nfs/dbraw/zinc/06/72/15/961067215.db2.gz FZDZCNAFWFUYDH-VIFPVBQESA-N -1 0 341.429 3.696 20 0 EHADRM Cc1ccc(NC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)c2cccnc12 ZINC001574374442 961082370 /nfs/dbraw/zinc/08/23/70/961082370.db2.gz USCDWIUVININBO-UHFFFAOYSA-N -1 0 326.396 3.619 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCCSc2ccc(Cl)cc2)cc1 ZINC000238042187 961084586 /nfs/dbraw/zinc/08/45/86/961084586.db2.gz YRXCVPGJHMCQID-UHFFFAOYSA-N -1 0 335.812 3.560 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000238052980 961088494 /nfs/dbraw/zinc/08/84/94/961088494.db2.gz XMNPRSWFXSKWCV-VHSXEESVSA-N -1 0 333.281 3.674 20 0 EHADRM Cc1ccc2c(c1C)N(C(=O)c1coc(/C=C\C(=O)[O-])c1)CCC2 ZINC001574383764 961126939 /nfs/dbraw/zinc/12/69/39/961126939.db2.gz KIKWUMRJSHRWTD-FPLPWBNLSA-N -1 0 325.364 3.587 20 0 EHADRM CC(C)(C)OCc1cccc(CNC(=O)C2(C(=O)[O-])CCCCC2)c1 ZINC001588735007 961134547 /nfs/dbraw/zinc/13/45/47/961134547.db2.gz XWSOJWUWIABWHN-UHFFFAOYSA-N -1 0 347.455 3.653 20 0 EHADRM CC(C)(C)OCc1cccc(CNC(=O)[C@@H](C(=O)[O-])C2CCCC2)c1 ZINC001588735038 961136034 /nfs/dbraw/zinc/13/60/34/961136034.db2.gz ZMMWZAFZAVJCDI-KRWDZBQOSA-N -1 0 347.455 3.509 20 0 EHADRM Cc1cccc([C@@H](NC(=O)C[C@@H](C)c2ccc(F)cc2F)C(=O)[O-])c1 ZINC001574387099 961136128 /nfs/dbraw/zinc/13/61/28/961136128.db2.gz DMGVGTVLPQXXJI-KZULUSFZSA-N -1 0 347.361 3.709 20 0 EHADRM O=C([O-])CCCCNC(=O)C1(c2cccc(Cl)c2)CCCCC1 ZINC000238169817 961141841 /nfs/dbraw/zinc/14/18/41/961141841.db2.gz OXEMJQMEBOSJGQ-UHFFFAOYSA-N -1 0 337.847 3.913 20 0 EHADRM CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cc1 ZINC001588739749 961159348 /nfs/dbraw/zinc/15/93/48/961159348.db2.gz RHNYJZAIFOZXKM-XIRDDKMYSA-N -1 0 344.455 3.694 20 0 EHADRM Cc1cccc([C@H](NC(=O)/C=C\c2ccc(Cl)cc2)C(=O)[O-])c1 ZINC001574389613 961161359 /nfs/dbraw/zinc/16/13/59/961161359.db2.gz OHWSYUMFLZMZEJ-JEZWAEDTSA-N -1 0 329.783 3.604 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC001327819991 961182233 /nfs/dbraw/zinc/18/22/33/961182233.db2.gz WHZALGGRPCEMFI-MGPUTAFESA-N -1 0 339.391 3.828 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2cc3c(cc(C)cc3C)[nH]2)C(=O)[O-])c1 ZINC001574392135 961188646 /nfs/dbraw/zinc/18/86/46/961188646.db2.gz PMNBDDOYSMQWKE-SFHVURJKSA-N -1 0 336.391 3.649 20 0 EHADRM Cc1cccc(C2=CCN(C(=O)C3(C(=O)[O-])CCCCC3)CC2)c1 ZINC001574394984 961204960 /nfs/dbraw/zinc/20/49/60/961204960.db2.gz LZGRTRWSEYIHDK-UHFFFAOYSA-N -1 0 327.424 3.646 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001574401278 961229233 /nfs/dbraw/zinc/22/92/33/961229233.db2.gz DQJOZYODOYSNGC-UGSOOPFHSA-N -1 0 329.371 3.570 20 0 EHADRM CC(C)c1ccc(C[C@@H]2CCN(C(=O)c3ccc(C(=O)[O-])o3)C2)cc1 ZINC001329655571 961287102 /nfs/dbraw/zinc/28/71/02/961287102.db2.gz FOLYPMJTJSFPGR-HNNXBMFYSA-N -1 0 341.407 3.806 20 0 EHADRM CC(C)(CNC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)C1CCCC1 ZINC001588779167 961292736 /nfs/dbraw/zinc/29/27/36/961292736.db2.gz JXVIZILZTOXPFG-KRWDZBQOSA-N -1 0 344.455 3.596 20 0 EHADRM CC(C)(Oc1ccccc1)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001329658064 961293954 /nfs/dbraw/zinc/29/39/54/961293954.db2.gz ZVKWKDWSFYXDPH-DLBZAZTESA-N -1 0 339.391 3.671 20 0 EHADRM Cc1nc2c(Cl)cccc2cc1C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC001574424551 961363511 /nfs/dbraw/zinc/36/35/11/961363511.db2.gz ZWUHZADQXFZOKE-ZDUSSCGKSA-N -1 0 348.830 3.673 20 0 EHADRM CC(C)(NC(=O)c1ccc(-c2ccccc2C(F)(F)F)o1)C(=O)[O-] ZINC001588791151 961363989 /nfs/dbraw/zinc/36/39/89/961363989.db2.gz HNFDIXSWFQZEHT-UHFFFAOYSA-N -1 0 341.285 3.558 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cc(C(F)(F)F)ccc2F)C1 ZINC000261624827 961383855 /nfs/dbraw/zinc/38/38/55/961383855.db2.gz GOKJXXNFGZNHDM-JTQLQIEISA-N -1 0 347.308 3.562 20 0 EHADRM C[C@H](NC(=O)CCc1ccccc1C(=O)[O-])[C@@H](C)c1ccccc1 ZINC000262071125 961432323 /nfs/dbraw/zinc/43/23/23/961432323.db2.gz CXOSBCNUPSISIC-CABCVRRESA-N -1 0 325.408 3.626 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)N[C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC001588803444 961446643 /nfs/dbraw/zinc/44/66/43/961446643.db2.gz AAFZXKSBIDDSBL-GJZGRUSLSA-N -1 0 348.830 3.672 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](CC1CC1)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000262095796 961454842 /nfs/dbraw/zinc/45/48/42/961454842.db2.gz BLOCUBKXUAAMNV-HZMBPMFUSA-N -1 0 343.345 3.569 20 0 EHADRM Cc1nc(C)c([C@H](C)N(C)C(=O)CCc2ccccc2C(=O)[O-])s1 ZINC000262203112 961550544 /nfs/dbraw/zinc/55/05/44/961550544.db2.gz OWNMRANBAGADOR-LBPRGKRZSA-N -1 0 346.452 3.610 20 0 EHADRM CCCCOc1ccccc1NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000262222965 961566948 /nfs/dbraw/zinc/56/69/48/961566948.db2.gz RFIXRWNNZMAZFQ-UHFFFAOYSA-N -1 0 327.380 3.745 20 0 EHADRM O=C([O-])CC1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1 ZINC000262291576 961622633 /nfs/dbraw/zinc/62/26/33/961622633.db2.gz HNYUPZSLMSCVFG-UHFFFAOYSA-N -1 0 347.798 3.927 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000262301100 961632535 /nfs/dbraw/zinc/63/25/35/961632535.db2.gz XMSUSMUYUKHHJB-UHFFFAOYSA-N -1 0 339.391 3.887 20 0 EHADRM CC(C)[C@H](CNC(=O)NC[C@@H]1CCCC[C@H]1c1ccccc1)C(=O)[O-] ZINC001588824972 961661472 /nfs/dbraw/zinc/66/14/72/961661472.db2.gz IYIQIQXSEGRYDN-BZSNNMDCSA-N -1 0 346.471 3.616 20 0 EHADRM CCc1ccc(C2CCN(C(=O)[C@@H](C(=O)[O-])C(C)(C)C)CC2)cc1 ZINC001573954151 961662454 /nfs/dbraw/zinc/66/24/54/961662454.db2.gz JSRXQADHKMTSQD-KRWDZBQOSA-N -1 0 331.456 3.702 20 0 EHADRM Cc1ccccc1C1CCN(C(=O)c2ccc(C(=O)[O-])cc2F)CC1 ZINC000262360369 961669130 /nfs/dbraw/zinc/66/91/30/961669130.db2.gz IMFXEZJECRZVDE-UHFFFAOYSA-N -1 0 341.382 3.852 20 0 EHADRM COc1ccc(C(C)(C)C(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC000262417104 961707022 /nfs/dbraw/zinc/70/70/22/961707022.db2.gz QJFPLYHALCOPLS-UHFFFAOYSA-N -1 0 341.407 3.629 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)c(F)c1 ZINC000262417624 961707603 /nfs/dbraw/zinc/70/76/03/961707603.db2.gz QBGHIXOCVCHXLT-UHFFFAOYSA-N -1 0 341.382 3.619 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@@H](C)CCc2ccccc2F)cc1C(=O)[O-] ZINC000262431672 961715960 /nfs/dbraw/zinc/71/59/60/961715960.db2.gz DWVDHSRTBBUUBZ-LBPRGKRZSA-N -1 0 347.386 3.653 20 0 EHADRM CN(C(=O)C1(C(=O)[O-])CCSCC1)c1ccc(C(C)(C)C)cc1 ZINC001573979032 961749174 /nfs/dbraw/zinc/74/91/74/961749174.db2.gz ANMWYVIANWBCHN-UHFFFAOYSA-N -1 0 335.469 3.545 20 0 EHADRM Cc1oc(CN(C)C(=O)CCCCc2ccc(C)cc2)cc1C(=O)[O-] ZINC000262540804 961763933 /nfs/dbraw/zinc/76/39/33/961763933.db2.gz VBPDDPYRLCAZEW-UHFFFAOYSA-N -1 0 343.423 3.966 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000262717355 961822643 /nfs/dbraw/zinc/82/26/43/961822643.db2.gz DAJDTHUCKLHOHY-NRXGSXMXSA-N -1 0 335.419 3.544 20 0 EHADRM CC(C)C[C@@H](CNC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001588847458 961901808 /nfs/dbraw/zinc/90/18/08/961901808.db2.gz RWNPOBYMPFBTRX-YPMHNXCESA-N -1 0 345.361 3.672 20 0 EHADRM Cc1cc(C(=O)N2CCC(Cc3ccc(C)cc3)CC2)oc1C(=O)[O-] ZINC001335429477 961924802 /nfs/dbraw/zinc/92/48/02/961924802.db2.gz CGEQSNRGNZAZGP-UHFFFAOYSA-N -1 0 341.407 3.690 20 0 EHADRM CN(CCOc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)[O-] ZINC001574014093 961936199 /nfs/dbraw/zinc/93/61/99/961936199.db2.gz PDGSMGOWNLTDFE-UHFFFAOYSA-N -1 0 348.786 3.581 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)/C=C/SCc2ccco2)cc1 ZINC001337289669 961980234 /nfs/dbraw/zinc/98/02/34/961980234.db2.gz ROTYNFFEYJXNDX-XAVKZTDYSA-N -1 0 345.420 3.667 20 0 EHADRM CC[C@H](C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC000262916121 961997190 /nfs/dbraw/zinc/99/71/90/961997190.db2.gz IAMYSFOWBDITCQ-FUHWJXTLSA-N -1 0 341.382 3.530 20 0 EHADRM CS[C@H](C)CC(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000262932277 962015328 /nfs/dbraw/zinc/01/53/28/962015328.db2.gz GAXROKCDGTVDTQ-MLGOLLRUSA-N -1 0 331.437 3.613 20 0 EHADRM CC(C)CCOc1ccccc1NC(=O)NCCC(C)(C)C(=O)[O-] ZINC001588867901 962035255 /nfs/dbraw/zinc/03/52/55/962035255.db2.gz NQXJYCIYMDSUOF-UHFFFAOYSA-N -1 0 336.432 3.734 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2CCCCCC2)c2ccccc21 ZINC001574567200 962042148 /nfs/dbraw/zinc/04/21/48/962042148.db2.gz CVIHUDXXIJSQSM-DLBZAZTESA-N -1 0 330.428 3.569 20 0 EHADRM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(C(=O)[O-])ccn1 ZINC000262965702 962052135 /nfs/dbraw/zinc/05/21/35/962052135.db2.gz AMTDSNFZABWEMW-FUHWJXTLSA-N -1 0 338.407 3.578 20 0 EHADRM CCCCO[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000262984101 962074891 /nfs/dbraw/zinc/07/48/91/962074891.db2.gz JSJYGOZZLSUMOD-KDOFPFPSSA-N -1 0 343.423 3.677 20 0 EHADRM Cc1oc(CNC(=O)C2CCC(c3ccccc3)CC2)cc1C(=O)[O-] ZINC000262994444 962086039 /nfs/dbraw/zinc/08/60/39/962086039.db2.gz OWEZGKFXXZNZLN-UHFFFAOYSA-N -1 0 341.407 3.876 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])C2)c(Sc2ccccc2)c1 ZINC000263001685 962095678 /nfs/dbraw/zinc/09/56/78/962095678.db2.gz VCFWZJPCKPEZKC-AWEZNQCLSA-N -1 0 341.432 3.693 20 0 EHADRM CCCc1nc(C)c(C(=O)N(Cc2ccccc2)[C@H](C)C(=O)[O-])s1 ZINC000263002103 962097141 /nfs/dbraw/zinc/09/71/41/962097141.db2.gz RHHUOCHWMDNCLF-CYBMUJFWSA-N -1 0 346.452 3.520 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(OC(C)C)cc2)cc1 ZINC001340572910 962107425 /nfs/dbraw/zinc/10/74/25/962107425.db2.gz KINKXQOHDQBITE-GOSISDBHSA-N -1 0 341.407 3.728 20 0 EHADRM CC(C)[C@H](CNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)Cc1ccccc1 ZINC000263008626 962107272 /nfs/dbraw/zinc/10/72/72/962107272.db2.gz PLGJOEOKLWTARW-SQNIBIBYSA-N -1 0 331.456 3.509 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1cc(Br)cs1 ZINC001341821014 962142774 /nfs/dbraw/zinc/14/27/74/962142774.db2.gz RTMOZKIDEYIKFB-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2F)c(F)c1 ZINC001574600189 962159812 /nfs/dbraw/zinc/15/98/12/962159812.db2.gz UPEZUEAFQJCNSQ-BBRMVZONSA-N -1 0 346.333 3.671 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)CCCOCc2ccccc2)cc1 ZINC000263039063 962162265 /nfs/dbraw/zinc/16/22/65/962162265.db2.gz CVCVIRIXCVDSKT-OAHLLOKOSA-N -1 0 341.407 3.810 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)CC1CCC(c2ccccc2)CC1 ZINC000263066216 962206608 /nfs/dbraw/zinc/20/66/08/962206608.db2.gz BSPIDKBTZKQXMP-RYKRPPSOSA-N -1 0 329.440 3.672 20 0 EHADRM C[C@@H]1CC/C(=C/C(=O)N2CCCC[C@@H]2c2ccc(C(=O)[O-])n2C)C1 ZINC001344592532 962214554 /nfs/dbraw/zinc/21/45/54/962214554.db2.gz ODPOXSAPBHNTBY-NQFXDVJWSA-N -1 0 330.428 3.523 20 0 EHADRM O=C([O-])[C@H](C(=O)NCCc1ccc(Cl)c(Cl)c1)C1CCCC1 ZINC001574616307 962224232 /nfs/dbraw/zinc/22/42/32/962224232.db2.gz HDTCOFLPWJDYFA-AWEZNQCLSA-N -1 0 344.238 3.543 20 0 EHADRM CC(C)(CCNC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000263099887 962249529 /nfs/dbraw/zinc/24/95/29/962249529.db2.gz UATPMXALHCGWCM-IAGOWNOFSA-N -1 0 325.408 3.560 20 0 EHADRM CC(C)c1cccc2c1CCN(C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)C2 ZINC000263126568 962281274 /nfs/dbraw/zinc/28/12/74/962281274.db2.gz XKPBDSVXLWVKAI-LSDHHAIUSA-N -1 0 329.440 3.586 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])s2)o1 ZINC000263149036 962301548 /nfs/dbraw/zinc/30/15/48/962301548.db2.gz YYSUFOQAAYRMKO-MQIPJXDCSA-N -1 0 345.420 3.642 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2scnc2C(C)(C)C)c1 ZINC000263165777 962318809 /nfs/dbraw/zinc/31/88/09/962318809.db2.gz FIFJNYLRGQNUNR-JTQLQIEISA-N -1 0 332.425 3.881 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)NCc1ccc(C(=O)[O-])s1 ZINC000263180328 962334798 /nfs/dbraw/zinc/33/47/98/962334798.db2.gz KFIIECJYJSNXLZ-JTQLQIEISA-N -1 0 337.828 3.595 20 0 EHADRM C[C@H](CCC(=O)N(C)c1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000263182850 962337893 /nfs/dbraw/zinc/33/78/93/962337893.db2.gz XCFCKAGICLSGIC-OAHLLOKOSA-N -1 0 341.407 3.697 20 0 EHADRM Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000263188757 962344281 /nfs/dbraw/zinc/34/42/81/962344281.db2.gz IGBYBXCVMKHWMS-MNOVXSKESA-N -1 0 330.384 3.612 20 0 EHADRM C[C@H](CN(C)C(=O)c1ccc(O[C@H](C)c2ccccc2)cc1)C(=O)[O-] ZINC000263248352 962390928 /nfs/dbraw/zinc/39/09/28/962390928.db2.gz SMQOZBVMDVLFMP-HUUCEWRRSA-N -1 0 341.407 3.619 20 0 EHADRM CCC[C@@H](C(=O)N[C@](C)(CC(=O)[O-])c1cccc(OC)c1)C(C)C ZINC000263271381 962409656 /nfs/dbraw/zinc/40/96/56/962409656.db2.gz XNJVGZSSJWLPFE-VQIMIIECSA-N -1 0 335.444 3.574 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)CCCCCc2cccs2)s1 ZINC000263274059 962412028 /nfs/dbraw/zinc/41/20/28/962412028.db2.gz WIXXFZCLAMLCKW-UHFFFAOYSA-N -1 0 337.466 3.927 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC[C@H](CCCc3ccccc3)C2)C1 ZINC000263292274 962431492 /nfs/dbraw/zinc/43/14/92/962431492.db2.gz MIXXIOMBAMHFJF-GBESFXJTSA-N -1 0 343.467 3.749 20 0 EHADRM CCCOc1cccc(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c1 ZINC000263295844 962436798 /nfs/dbraw/zinc/43/67/98/962436798.db2.gz MZUDZWJOGLXFNF-CYBMUJFWSA-N -1 0 327.380 3.916 20 0 EHADRM CC(C)Sc1ccc(C(=O)NCc2ccc(C(=O)[O-])s2)cc1 ZINC000263297591 962439689 /nfs/dbraw/zinc/43/96/89/962439689.db2.gz ZSJJKZIYTYLCMN-UHFFFAOYSA-N -1 0 335.450 3.877 20 0 EHADRM C[C@@]1(NC(=O)CC2CC(c3ccccc3)C2)CCCC[C@@H]1C(=O)[O-] ZINC000263299602 962441337 /nfs/dbraw/zinc/44/13/37/962441337.db2.gz CYRNFESFQKRZHD-KIJVLWJYSA-N -1 0 329.440 3.720 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001348492542 962449049 /nfs/dbraw/zinc/44/90/49/962449049.db2.gz MBPZMHCCJAYOPC-MRXNPFEDSA-N -1 0 327.380 3.798 20 0 EHADRM Cc1c(C(=O)N2CCC[C@](C)(C(=O)[O-])C2)oc2c1c(C)ccc2C ZINC000263319563 962461850 /nfs/dbraw/zinc/46/18/50/962461850.db2.gz NFMPYZPRKROZGP-IBGZPJMESA-N -1 0 329.396 3.685 20 0 EHADRM Cc1nc2c(s1)[C@H](N(C)C(=O)c1cc(C)cc(C(=O)[O-])c1)CCC2 ZINC000263321819 962463216 /nfs/dbraw/zinc/46/32/16/962463216.db2.gz NSUKZWJYJCXNFE-OAHLLOKOSA-N -1 0 344.436 3.608 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2cccc(Cl)c2)C1 ZINC000263327351 962472976 /nfs/dbraw/zinc/47/29/76/962472976.db2.gz PAAPPXCHQHMCNI-LZWOXQAQSA-N -1 0 335.831 3.895 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)NCCCCC2CCCC2)Cc2ccccc21 ZINC001574657677 962476166 /nfs/dbraw/zinc/47/61/66/962476166.db2.gz DPMRKAIEYKYNNN-SFHVURJKSA-N -1 0 344.455 3.741 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2ccc(C(F)F)c(F)c2)Cc2ccccc21 ZINC001574657847 962477748 /nfs/dbraw/zinc/47/77/48/962477748.db2.gz IVMBKMSPPMAYPC-AWEZNQCLSA-N -1 0 349.308 3.588 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2ccccc2OCC2CC2)cc1 ZINC000263344014 962494693 /nfs/dbraw/zinc/49/46/93/962494693.db2.gz STVINZGRUOACRM-ZDUSSCGKSA-N -1 0 339.391 3.916 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccc(F)c2ccccc21 ZINC000263350271 962503365 /nfs/dbraw/zinc/50/33/65/962503365.db2.gz HPURIIVVEGKSDG-STQMWFEESA-N -1 0 344.386 3.546 20 0 EHADRM CCCC[C@H](C(=O)N1CCC(c2cc(C(=O)[O-])on2)CC1)C(C)C ZINC001349954835 962506418 /nfs/dbraw/zinc/50/64/18/962506418.db2.gz UZHSZOMNTUCRJT-AWEZNQCLSA-N -1 0 336.432 3.541 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@](C)(C(=O)[O-])C2)c(C)n1C1CCCCC1 ZINC000263354141 962507354 /nfs/dbraw/zinc/50/73/54/962507354.db2.gz WKQVQGNTNZNLGI-FQEVSTJZSA-N -1 0 346.471 3.937 20 0 EHADRM COc1ccc(C(C)(C)C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cc1 ZINC000263353680 962508197 /nfs/dbraw/zinc/50/81/97/962508197.db2.gz WIKVFCHFYJCMEM-ZDUSSCGKSA-N -1 0 341.407 3.800 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)CC2CC(c3ccccc3)C2)cc1 ZINC000263358815 962515454 /nfs/dbraw/zinc/51/54/54/962515454.db2.gz SRDBJCNJGQBPFV-UHFFFAOYSA-N -1 0 339.391 3.672 20 0 EHADRM CCOc1ccc(CCC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cc1 ZINC000263363661 962521908 /nfs/dbraw/zinc/52/19/08/962521908.db2.gz ZDFKHRYXKMLFFH-AWEZNQCLSA-N -1 0 341.407 3.845 20 0 EHADRM COc1ccc(CCCC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cc1 ZINC000263364996 962523462 /nfs/dbraw/zinc/52/34/62/962523462.db2.gz ZORYYPQMPNKMPR-AWEZNQCLSA-N -1 0 341.407 3.845 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)CC[C@@H]1CCc2ccccc21 ZINC001574668838 962538872 /nfs/dbraw/zinc/53/88/72/962538872.db2.gz LYGFDBQKUXFSAB-LAUBAEHRSA-N -1 0 349.430 3.707 20 0 EHADRM C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000263391191 962550907 /nfs/dbraw/zinc/55/09/07/962550907.db2.gz FGXKCBBAJFSFLB-MRVPVSSYSA-N -1 0 330.331 3.711 20 0 EHADRM Cc1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c(F)c1Cl ZINC000263398448 962559214 /nfs/dbraw/zinc/55/92/14/962559214.db2.gz FYWPDQHBRWVKRZ-NSHDSACASA-N -1 0 327.783 3.505 20 0 EHADRM O=C([O-])C1CCC(N[C@H](CCc2ccccc2)C(F)(F)F)CC1 ZINC000263440368 962621192 /nfs/dbraw/zinc/62/11/92/962621192.db2.gz WERIJEUYGVVQFA-YMAMQOFZSA-N -1 0 329.362 3.783 20 0 EHADRM CCOc1cccc(CCC(=O)Nc2ccc(C(=O)[O-])cc2C)c1 ZINC001351729034 962621100 /nfs/dbraw/zinc/62/11/00/962621100.db2.gz LGBNTLPLIKNFDE-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM CC(C)c1cccc(-c2ccc(C(=O)N3CCC[C@H]3C(=O)[O-])o2)c1 ZINC000263464326 962651491 /nfs/dbraw/zinc/65/14/91/962651491.db2.gz QQQCROLNTASDJY-HNNXBMFYSA-N -1 0 327.380 3.759 20 0 EHADRM CCCCOCCNC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000263470417 962657876 /nfs/dbraw/zinc/65/78/76/962657876.db2.gz XRTQLVMCZAGLET-UHFFFAOYSA-N -1 0 341.407 3.598 20 0 EHADRM O=C([O-])C1(CNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)CC1 ZINC000263472099 962658262 /nfs/dbraw/zinc/65/82/62/962658262.db2.gz SCOZDWAIUYHZBK-INIZCTEOSA-N -1 0 341.432 3.501 20 0 EHADRM CC(C)c1ccc(OCCNC(=O)C2(C(=O)[O-])CCCCCC2)cc1 ZINC001588968894 962658989 /nfs/dbraw/zinc/65/89/89/962658989.db2.gz SRPRZFSRYALOON-UHFFFAOYSA-N -1 0 347.455 3.730 20 0 EHADRM O=C([O-])CCCCCNC(=O)C1(c2ccccc2)CC2(CCC2)C1 ZINC001574699314 962672667 /nfs/dbraw/zinc/67/26/67/962672667.db2.gz BJICQZYBUUNHTF-UHFFFAOYSA-N -1 0 329.440 3.650 20 0 EHADRM Cc1ccc(C)c(NC(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000263506417 962689719 /nfs/dbraw/zinc/68/97/19/962689719.db2.gz VVLINHIEQICMDP-KRWDZBQOSA-N -1 0 340.423 3.901 20 0 EHADRM O=C([O-])CCc1cccc(NCc2ncc(C(F)(F)F)s2)c1 ZINC000263509116 962691540 /nfs/dbraw/zinc/69/15/40/962691540.db2.gz MWDNESFPMPTRFY-UHFFFAOYSA-N -1 0 330.331 3.791 20 0 EHADRM Cc1sc(CC(=O)Nc2ccc(C(=O)[O-])cc2C)nc1C(C)C ZINC001354046992 962698017 /nfs/dbraw/zinc/69/80/17/962698017.db2.gz IMOFBSDQPWBZTI-UHFFFAOYSA-N -1 0 332.425 3.763 20 0 EHADRM CCC(CC)(CNC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000263516754 962698476 /nfs/dbraw/zinc/69/84/76/962698476.db2.gz FADCBSLFYNSTAT-LBPRGKRZSA-N -1 0 349.324 3.723 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)NCc2cccc3[nH]ccc32)c1 ZINC001574710304 962705453 /nfs/dbraw/zinc/70/54/53/962705453.db2.gz QGPATVQJTZJBGN-UHFFFAOYSA-N -1 0 337.379 3.507 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)s1 ZINC000263532842 962714760 /nfs/dbraw/zinc/71/47/60/962714760.db2.gz NFRQKLLTCIBUCZ-YPMHNXCESA-N -1 0 333.384 3.652 20 0 EHADRM CCOc1ccccc1[C@H](CC)NC(=O)c1ccc(C(=O)[O-])s1 ZINC000263543144 962719866 /nfs/dbraw/zinc/71/98/66/962719866.db2.gz RWEXKVHSCTYILR-LBPRGKRZSA-N -1 0 333.409 3.726 20 0 EHADRM CCOc1ccccc1[C@@H](CC)NC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000263545435 962721056 /nfs/dbraw/zinc/72/10/56/962721056.db2.gz TWALSHUIBVLOKW-QGZVFWFLSA-N -1 0 341.407 3.594 20 0 EHADRM COc1cc(NC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)cc2ccccc21 ZINC001574186039 962833927 /nfs/dbraw/zinc/83/39/27/962833927.db2.gz IAYWKAJDPHTTEP-GXTWGEPZSA-N -1 0 342.395 3.565 20 0 EHADRM COc1cc(OC)cc([C@H](C)OC(=O)c2cc(C)cc(C(=O)[O-])c2)c1 ZINC001574194689 962865073 /nfs/dbraw/zinc/86/50/73/962865073.db2.gz ALCPKNHLWZUXJY-LBPRGKRZSA-N -1 0 344.363 3.628 20 0 EHADRM COc1ccc2oc(C(=O)NCC3(CC(=O)[O-])CCCC3)c(C)c2c1 ZINC001526744783 962892135 /nfs/dbraw/zinc/89/21/35/962892135.db2.gz BJROWVCLMPXHFG-UHFFFAOYSA-N -1 0 345.395 3.515 20 0 EHADRM C/C(=C/c1ccccn1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001573340225 962898794 /nfs/dbraw/zinc/89/87/94/962898794.db2.gz NBAIQDIWFPJLMZ-HJWRWDBZSA-N -1 0 334.734 3.614 20 0 EHADRM Cc1c(NC2CCN(C(=O)OC(C)(C)C)CC2)cccc1C(=O)[O-] ZINC000309895157 963377538 /nfs/dbraw/zinc/37/75/38/963377538.db2.gz FKYNISMRLSODSB-UHFFFAOYSA-N -1 0 334.416 3.505 20 0 EHADRM CC(=O)c1cc(Br)ccc1OCc1occc1C(=O)[O-] ZINC000312458001 963564600 /nfs/dbraw/zinc/56/46/00/963564600.db2.gz YFPIKRQQZUQILH-UHFFFAOYSA-N -1 0 339.141 3.522 20 0 EHADRM O=C([O-])c1c(NC(=O)Cc2ccc(Cl)cc2)sc2c1CCC2 ZINC000314065257 963706968 /nfs/dbraw/zinc/70/69/68/963706968.db2.gz BEQHLJLSKPHZSS-UHFFFAOYSA-N -1 0 335.812 3.770 20 0 EHADRM O=C([O-])c1cc(NC(=O)COc2cccc(Cl)c2)ccc1Cl ZINC000314292465 963737211 /nfs/dbraw/zinc/73/72/11/963737211.db2.gz MPPKIYJDLQFMOA-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM Cc1cc(NC(=O)CSCc2ccc(F)cc2)sc1C(=O)[O-] ZINC000314306850 963738387 /nfs/dbraw/zinc/73/83/87/963738387.db2.gz VSICMNGDGZNYGM-UHFFFAOYSA-N -1 0 339.413 3.766 20 0 EHADRM O=C([O-])c1ccc(COc2cc(F)c([N+](=O)[O-])cc2Cl)s1 ZINC000314380450 963746576 /nfs/dbraw/zinc/74/65/76/963746576.db2.gz SXGSQEYSQSSPBO-UHFFFAOYSA-N -1 0 331.708 3.726 20 0 EHADRM C[C@H](N[C@H]1CCSc2ccc(F)cc21)c1ncc(C(=O)[O-])s1 ZINC000314633952 963781913 /nfs/dbraw/zinc/78/19/13/963781913.db2.gz JKCZLXBLQFOUAJ-KWQFWETISA-N -1 0 338.429 3.868 20 0 EHADRM C[C@@H](N[C@H](C)c1ccccc1OC(F)F)c1ncc(C(=O)[O-])s1 ZINC000314734328 963800858 /nfs/dbraw/zinc/80/08/58/963800858.db2.gz BBYPBUDHHWYWFB-RKDXNWHRSA-N -1 0 342.367 3.855 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCSc2ccc(Cl)cc2)nc1 ZINC000314864187 963822955 /nfs/dbraw/zinc/82/29/55/963822955.db2.gz ZKARJRQFHLVETC-UHFFFAOYSA-N -1 0 336.800 3.554 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc2sccc2s1 ZINC000316126178 963980153 /nfs/dbraw/zinc/98/01/53/963980153.db2.gz CNRMQAKZIQWAMQ-DCAQKATOSA-N -1 0 335.450 3.821 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2ccc(Cl)cc2OC)s1 ZINC000316230593 963992287 /nfs/dbraw/zinc/99/22/87/963992287.db2.gz FRFLPMNETVOXAP-UHFFFAOYSA-N -1 0 339.800 3.923 20 0 EHADRM COc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1-c1ccccn1 ZINC000190873440 967680737 /nfs/dbraw/zinc/68/07/37/967680737.db2.gz LEQGFVKZZOSIQA-UHFFFAOYSA-N -1 0 348.358 3.708 20 0 EHADRM CC(C)(CCNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000263002719 967836065 /nfs/dbraw/zinc/83/60/65/967836065.db2.gz MKVZDNAVMURKNP-VXGBXAGGSA-N -1 0 344.238 3.714 20 0 EHADRM CC[C@H](NC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1)c1ccc(Cl)cc1 ZINC000263357303 967878882 /nfs/dbraw/zinc/87/88/82/967878882.db2.gz RDXCIICTKLYONO-LNSITVRQSA-N -1 0 338.835 3.543 20 0 EHADRM Cc1c(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)sc2nccc(C)c12 ZINC000263420396 967890861 /nfs/dbraw/zinc/89/08/61/967890861.db2.gz LAFIIVFGFCCZKL-CYBMUJFWSA-N -1 0 346.452 3.630 20 0 EHADRM COc1ccc(Cl)cc1NC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000321280898 968013077 /nfs/dbraw/zinc/01/30/77/968013077.db2.gz GAALOSLVEZUIMK-GFCCVEGCSA-N -1 0 340.807 3.600 20 0 EHADRM CCCC1CCC(NC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)CC1 ZINC000327512375 968049288 /nfs/dbraw/zinc/04/92/88/968049288.db2.gz MLTJALZYEYIFFX-PVARCSIZSA-N -1 0 344.455 3.739 20 0 EHADRM CSC1(CNC(=O)Nc2ccccc2CC(=O)[O-])CCCCC1 ZINC000391102271 968187001 /nfs/dbraw/zinc/18/70/01/968187001.db2.gz AUUAMMCVJVMOQI-UHFFFAOYSA-N -1 0 336.457 3.501 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)c1cccc2ncccc21 ZINC000392326432 968200395 /nfs/dbraw/zinc/20/03/95/968200395.db2.gz ZIMPQGOBEXPIAO-UHFFFAOYSA-N -1 0 332.359 3.526 20 0 EHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)NCCC(C)(C)C(=O)[O-])o1 ZINC000424410806 968364790 /nfs/dbraw/zinc/36/47/90/968364790.db2.gz ZXPKVTNVPYFIAY-AWEZNQCLSA-N -1 0 336.432 3.716 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cccc(-c2cscn2)c1 ZINC000449137768 968377094 /nfs/dbraw/zinc/37/70/94/968377094.db2.gz GQMLCQONQSEPNA-HNNXBMFYSA-N -1 0 344.436 3.670 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@H]2[C@@H]3c4cccc(Cl)c4C[C@H]23)CCCCC1 ZINC000630131966 968527283 /nfs/dbraw/zinc/52/72/83/968527283.db2.gz QXHGDIFUYAXVMT-IAOVAPTHSA-N -1 0 347.842 3.520 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655579706 968685921 /nfs/dbraw/zinc/68/59/21/968685921.db2.gz WZAAQXIBACAMIF-OSRSDYAFSA-N -1 0 349.446 3.646 20 0 EHADRM C[C@@H](CNC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000655888409 968705964 /nfs/dbraw/zinc/70/59/64/968705964.db2.gz KNKFXZFYJPQOIX-TVQRCGJNSA-N -1 0 345.226 3.561 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1c1ccc(-c2ccc(Cl)s2)nn1 ZINC000662893580 968760582 /nfs/dbraw/zinc/76/05/82/968760582.db2.gz LYOUONYPBQBPJM-NXEZZACHSA-N -1 0 337.832 3.548 20 0 EHADRM CC(C)c1ccc(SCC(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000676215205 968860410 /nfs/dbraw/zinc/86/04/10/968860410.db2.gz KSHUXSRVYHVGSH-AWEZNQCLSA-N -1 0 335.469 3.615 20 0 EHADRM O=C([O-])CCCC(=O)N1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000843331251 969237400 /nfs/dbraw/zinc/23/74/00/969237400.db2.gz LDZQENCIQDVKHK-LJQANCHMSA-N -1 0 337.419 3.610 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC000864132128 969320400 /nfs/dbraw/zinc/32/04/00/969320400.db2.gz KXJOKMLWYDXPCN-YESZJQIVSA-N -1 0 333.403 3.565 20 0 EHADRM C[C@]1(Cc2ccccc2)CCCN1C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000864144533 969322978 /nfs/dbraw/zinc/32/29/78/969322978.db2.gz YKMZQYQPCRIMIU-YBNHLDJLSA-N -1 0 339.391 3.615 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Nc1ccccc1N1CCCC1 ZINC000899309007 969417957 /nfs/dbraw/zinc/41/79/57/969417957.db2.gz OCBGASXCCMZMBV-OAHLLOKOSA-N -1 0 345.443 3.538 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000901704205 969463401 /nfs/dbraw/zinc/46/34/01/969463401.db2.gz GXNTZIFXYPTEEQ-IAGOWNOFSA-N -1 0 329.440 3.674 20 0 EHADRM CCSc1ccccc1CC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000902026333 969508445 /nfs/dbraw/zinc/50/84/45/969508445.db2.gz LOZSUYXZWKCNOP-VHDGCEQUSA-N -1 0 349.496 3.593 20 0 EHADRM C[N@H+](CCC1(C(=O)[O-])CCC1)Cc1cc(Br)ccc1F ZINC000903696462 969590788 /nfs/dbraw/zinc/59/07/88/969590788.db2.gz XHWVUOMYVXVUNY-UHFFFAOYSA-N -1 0 344.224 3.665 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1ccccc1COCc1ccccc1 ZINC001588809897 969899450 /nfs/dbraw/zinc/89/94/50/969899450.db2.gz ZZIQEPOSPZOSGH-SFHVURJKSA-N -1 0 341.407 3.699 20 0 EHADRM COc1ccc(Cl)cc1CC(=O)Nc1c(C)csc1C(=O)[O-] ZINC000317541515 970368188 /nfs/dbraw/zinc/36/81/88/970368188.db2.gz IBNQPXNKZOGMSC-UHFFFAOYSA-N -1 0 339.800 3.598 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)c1ccc(OC(F)F)cc1 ZINC000317903520 970395434 /nfs/dbraw/zinc/39/54/34/970395434.db2.gz MMRVQZNKGFYQKH-UHFFFAOYSA-N -1 0 327.308 3.608 20 0 EHADRM Cc1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc1C(=O)[O-] ZINC000318782409 970472233 /nfs/dbraw/zinc/47/22/33/970472233.db2.gz XXIZZZADWDBGBK-UHFFFAOYSA-N -1 0 340.744 3.569 20 0 EHADRM CCc1cc(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])cc(Cl)n1 ZINC000318910931 970486669 /nfs/dbraw/zinc/48/66/69/970486669.db2.gz UGKQQERGZOADCO-UHFFFAOYSA-N -1 0 339.178 3.901 20 0 EHADRM CCc1ccc(NC(=O)c2nc(Cl)ccc2Cl)c(C(=O)[O-])c1 ZINC000319412293 970533448 /nfs/dbraw/zinc/53/34/48/970533448.db2.gz DJODTWRFLDMNBY-UHFFFAOYSA-N -1 0 339.178 3.901 20 0 EHADRM Cc1cccc(O[C@H](C)C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000319571352 970549808 /nfs/dbraw/zinc/54/98/08/970549808.db2.gz MCIMINWOGQWCAD-LLVKDONJSA-N -1 0 333.771 3.753 20 0 EHADRM O=C([O-])c1cccc(OCc2cc(Cl)c3c(c2)OCCCO3)c1 ZINC000319689511 970560967 /nfs/dbraw/zinc/56/09/67/970560967.db2.gz KRPVOOZFJFCNKL-UHFFFAOYSA-N -1 0 334.755 3.779 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCSc2ccccc2F)ccc1F ZINC000319793145 970572175 /nfs/dbraw/zinc/57/21/75/970572175.db2.gz NIUQKRJQCBHCDU-UHFFFAOYSA-N -1 0 337.347 3.784 20 0 EHADRM Cc1cc(NC(=O)Cc2ccc(OC(F)F)cc2)sc1C(=O)[O-] ZINC000320078760 970610577 /nfs/dbraw/zinc/61/05/77/970610577.db2.gz VUACKNSJQVHPIS-UHFFFAOYSA-N -1 0 341.335 3.537 20 0 EHADRM Cc1c(NC(=O)c2cc(F)c(F)c(F)c2F)cccc1C(=O)[O-] ZINC000320213212 970631663 /nfs/dbraw/zinc/63/16/63/970631663.db2.gz YDPBVHWUIRLCFD-UHFFFAOYSA-N -1 0 327.233 3.502 20 0 EHADRM CN(C(=O)CSc1ccccc1Cl)C1(C(=O)[O-])CCCCC1 ZINC000320246938 970637076 /nfs/dbraw/zinc/63/70/76/970637076.db2.gz WBHWKCLBUVTCCH-UHFFFAOYSA-N -1 0 341.860 3.678 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2cccc3cccnc32)s1 ZINC000320421451 970662088 /nfs/dbraw/zinc/66/20/88/970662088.db2.gz PZGLVVXECKOMIL-UHFFFAOYSA-N -1 0 326.377 3.809 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)c1cccc2ncccc21 ZINC000320688711 970699863 /nfs/dbraw/zinc/69/98/63/970699863.db2.gz PZOQNWOLYGGZFN-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM Cc1nc(=O)[nH]c(SCc2cccc3ccccc32)c1C(=O)[O-] ZINC000320702047 970702671 /nfs/dbraw/zinc/70/26/71/970702671.db2.gz RYEQGKWKRSILHX-UHFFFAOYSA-N -1 0 326.377 3.634 20 0 EHADRM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000320887741 970727209 /nfs/dbraw/zinc/72/72/09/970727209.db2.gz CERWSHCIXMSLQH-LBPRGKRZSA-N -1 0 334.803 3.514 20 0 EHADRM COc1ccc(COc2ccc(C(=O)[O-])cc2Cl)cc1[N+](=O)[O-] ZINC000320928356 970729477 /nfs/dbraw/zinc/72/94/77/970729477.db2.gz CJEJTVJGYIYZFN-UHFFFAOYSA-N -1 0 337.715 3.534 20 0 EHADRM O=C([O-])c1cc(NC(=O)NCc2ccc(F)cc2F)ccc1Cl ZINC000321005545 970735627 /nfs/dbraw/zinc/73/56/27/970735627.db2.gz LJSHMVMDNPINTB-UHFFFAOYSA-N -1 0 340.713 3.638 20 0 EHADRM C[C@@H]1CC[C@@H](NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C[C@H]1C ZINC000321056922 970739406 /nfs/dbraw/zinc/73/94/06/970739406.db2.gz YLWOWLHFOAJHOE-OPRDCNLKSA-N -1 0 326.343 3.609 20 0 EHADRM CSCc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001604958477 972539472 /nfs/dbraw/zinc/53/94/72/972539472.db2.gz QLSHIHMWDHQALY-OAHLLOKOSA-N -1 0 348.399 3.636 20 0 EHADRM C[C@@H](CC1CCCCC1)NC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001604979147 972570828 /nfs/dbraw/zinc/57/08/28/972570828.db2.gz PGCJKRHTWSSLKO-MGPUTAFESA-N -1 0 346.471 3.687 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc3ccnc(Cl)c3s2)ccc1O ZINC001605854989 972602054 /nfs/dbraw/zinc/60/20/54/972602054.db2.gz GYKFWRJYXMUACV-UHFFFAOYSA-N -1 0 348.767 3.606 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)CCCOc1ccc(C(C)(C)C)cc1 ZINC001605005046 972610058 /nfs/dbraw/zinc/61/00/58/972610058.db2.gz NXKWQQHRDFMUDA-RHSMWYFYSA-N -1 0 347.455 3.607 20 0 EHADRM CC1(C)C[C@H](O)c2cccc(NCc3ccc(C(=O)[O-])cc3)c2O1 ZINC001603316522 972630557 /nfs/dbraw/zinc/63/05/57/972630557.db2.gz SNJCMVAWAMPNAY-INIZCTEOSA-N -1 0 327.380 3.591 20 0 EHADRM CC1(C)C[C@@H](c2ccccc2)CN1C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001603322022 972646393 /nfs/dbraw/zinc/64/63/93/972646393.db2.gz FGDDVBCDIILORD-CQSZACIVSA-N -1 0 339.395 3.580 20 0 EHADRM C[C@H](NC(=O)C1(C(=O)[O-])CCCCCC1)c1ccc(F)cc1F ZINC001605040951 972649234 /nfs/dbraw/zinc/64/92/34/972649234.db2.gz BEZMHWSXLRODTA-NSHDSACASA-N -1 0 325.355 3.567 20 0 EHADRM Cc1c2occ(CC(=O)N3C[C@@H](C)C[C@H](C(=O)[O-])C3)c2ccc1Cl ZINC001605081973 972722232 /nfs/dbraw/zinc/72/22/32/972722232.db2.gz SAQRSIOZXVLMJP-JQWIXIFHSA-N -1 0 349.814 3.506 20 0 EHADRM Cc1cc(C)cc(C[C@@H](C)NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC001605151652 972836655 /nfs/dbraw/zinc/83/66/55/972836655.db2.gz SEULYHSDZSBVJZ-SJORKVTESA-N -1 0 346.471 3.521 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)cc1 ZINC000396515994 972911267 /nfs/dbraw/zinc/91/12/67/972911267.db2.gz TTYGXNFYUDYGEF-SSDOTTSWSA-N -1 0 341.260 3.683 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000396641821 972928874 /nfs/dbraw/zinc/92/88/74/972928874.db2.gz QJPHNNSKEVSBDV-RYUDHWBXSA-N -1 0 342.351 3.525 20 0 EHADRM C[C@@H]1C[C@H](CC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC(C)(C)C1 ZINC001603375814 972929357 /nfs/dbraw/zinc/92/93/57/972929357.db2.gz HPUCGCADFCVTDV-OIISXLGYSA-N -1 0 331.456 3.651 20 0 EHADRM Cc1cc(NC(=O)NC2CCC3(CCOCC3)CC2)ccc1C(=O)[O-] ZINC001605202008 972938328 /nfs/dbraw/zinc/93/83/28/972938328.db2.gz FDSDUPNQTQEBPO-UHFFFAOYSA-N -1 0 346.427 3.554 20 0 EHADRM Cc1ccc(C)c([C@@H](C)NC(=O)NCc2ccccc2C(=O)[O-])c1 ZINC001605254429 973017833 /nfs/dbraw/zinc/01/78/33/973017833.db2.gz FNWZVYLTCUPSSZ-CQSZACIVSA-N -1 0 326.396 3.562 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1ccc2c(c1)OC(C)(C)C2 ZINC001605321331 973158916 /nfs/dbraw/zinc/15/89/16/973158916.db2.gz HLPBJIZOVJJTJH-UHFFFAOYSA-N -1 0 325.364 3.659 20 0 EHADRM Cc1cccc([C@@H](NC(=O)OCc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC001605327778 973172769 /nfs/dbraw/zinc/17/27/69/973172769.db2.gz GLVOUPMPXDYKNX-OAHLLOKOSA-N -1 0 333.771 3.701 20 0 EHADRM Cc1cccc([C@H](NC(=O)CCCCc2ccccc2)C(=O)[O-])c1 ZINC001605329667 973200478 /nfs/dbraw/zinc/20/04/78/973200478.db2.gz XVDXHAJWIJUQSE-IBGZPJMESA-N -1 0 325.408 3.650 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC001605347109 973243099 /nfs/dbraw/zinc/24/30/99/973243099.db2.gz DNMDSVKLWMBGOP-KKXDTOCCSA-N -1 0 338.407 3.668 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)c1ccc(C(=O)[O-])cc1)C(C)(C)C ZINC001605360700 973296335 /nfs/dbraw/zinc/29/63/35/973296335.db2.gz YYMPQMNJDBNMFK-INIZCTEOSA-N -1 0 326.396 3.605 20 0 EHADRM C[C@@H]1CO[C@H](C(=O)Nc2scc(-c3ccsc3)c2C(=O)[O-])C1 ZINC001603473482 973351194 /nfs/dbraw/zinc/35/11/94/973351194.db2.gz MYXLQFCPEJSQQC-KWQFWETISA-N -1 0 337.422 3.538 20 0 EHADRM Cc1nc(-c2ccccc2)oc1COC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001605393352 973366456 /nfs/dbraw/zinc/36/64/56/973366456.db2.gz HYYWXIDKCNGSIM-INIZCTEOSA-N -1 0 343.379 3.584 20 0 EHADRM O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)C=C2CCSCC2)C1 ZINC001606135838 973385332 /nfs/dbraw/zinc/38/53/32/973385332.db2.gz VFSBFYLXKNVOIH-OAHLLOKOSA-N -1 0 345.464 3.510 20 0 EHADRM O=C([O-])CCCCC(=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 ZINC001606146414 973403564 /nfs/dbraw/zinc/40/35/64/973403564.db2.gz XVGGEMNRIPBXFY-UHFFFAOYSA-N -1 0 344.338 3.607 20 0 EHADRM O=C([O-])CCCc1nc(-c2ccc(COc3ccccc3)cc2)no1 ZINC001606183145 973433247 /nfs/dbraw/zinc/43/32/47/973433247.db2.gz VLCXAIFJXSEEGB-UHFFFAOYSA-N -1 0 338.363 3.723 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)N[C@@H]2CCc3c2cccc3F)c1 ZINC001606215492 973463192 /nfs/dbraw/zinc/46/31/92/973463192.db2.gz DIJHTSLVHPYUPB-QGZVFWFLSA-N -1 0 342.370 3.652 20 0 EHADRM CC[C@H](CNC(=O)N1CCC[C@H](CCCc2ccccc2)C1)C(=O)[O-] ZINC001603557227 973644402 /nfs/dbraw/zinc/64/44/02/973644402.db2.gz ROULRRJGWRFEOZ-ZWKOTPCHSA-N -1 0 346.471 3.542 20 0 EHADRM CC[C@H](CNC(=O)N1CCC[C@@]1(CC)CCc1ccccc1)C(=O)[O-] ZINC001603557442 973646012 /nfs/dbraw/zinc/64/60/12/973646012.db2.gz VDWDCKXJZQSKFP-XLIONFOSSA-N -1 0 346.471 3.684 20 0 EHADRM CC[C@H](CNC(=O)c1ccccc1Nc1ccc(C)cc1)C(=O)[O-] ZINC001603567580 973698160 /nfs/dbraw/zinc/69/81/60/973698160.db2.gz FCCKPEJNDKGOKH-CQSZACIVSA-N -1 0 326.396 3.579 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)NC[C@@H](c2ccccc2)C2CC2)c1 ZINC001606311363 973724170 /nfs/dbraw/zinc/72/41/70/973724170.db2.gz PSTATCDSWKOAHP-SFHVURJKSA-N -1 0 338.407 3.629 20 0 EHADRM CC[C@@H](NC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C)c1ccc(F)cc1F ZINC001603579048 973736745 /nfs/dbraw/zinc/73/67/45/973736745.db2.gz UQRVHTGXZMWCFL-CYBMUJFWSA-N -1 0 339.382 3.669 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2ccc3c(c2)CCCCC3)C1 ZINC000404696860 973742633 /nfs/dbraw/zinc/74/26/33/973742633.db2.gz LWCUQXOYAKLHIF-LJQANCHMSA-N -1 0 330.428 3.674 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)Nc1ccc3c(c1)CCCC3)C2 ZINC000404689303 973742705 /nfs/dbraw/zinc/74/27/05/973742705.db2.gz ODEBZCUMQLXMPB-UHFFFAOYSA-N -1 0 336.391 3.811 20 0 EHADRM Cn1nc(C2CCCCC2)cc1NC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C ZINC001605545741 973758093 /nfs/dbraw/zinc/75/80/93/973758093.db2.gz UKRZEBQUIDRUEF-UHFFFAOYSA-N -1 0 347.459 3.543 20 0 EHADRM Cc1sc(NC(=O)N2CCC3(CC3(F)F)CC2)c(C(=O)[O-])c1C ZINC000405074614 973761219 /nfs/dbraw/zinc/76/12/19/973761219.db2.gz AQVCNANSRUPHSO-UHFFFAOYSA-N -1 0 344.383 3.716 20 0 EHADRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)/C=C\c1cc(Cl)cc(Cl)c1 ZINC000405241329 973798236 /nfs/dbraw/zinc/79/82/36/973798236.db2.gz CBDILBLJTAODDC-WUPXAJODSA-N -1 0 342.222 3.766 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)[C@@H](c2ccc(F)cc2)C(C)C)C1 ZINC001603594270 973819931 /nfs/dbraw/zinc/81/99/31/973819931.db2.gz SKNNTHYIQOAYMU-VQIMIIECSA-N -1 0 335.419 3.669 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2ccc3c(c2)CC(C)(C)O3)C1 ZINC001603600740 973843002 /nfs/dbraw/zinc/84/30/02/973843002.db2.gz PGKPULDLQXGXDN-LJQANCHMSA-N -1 0 346.427 3.509 20 0 EHADRM O=C([O-])[C@@H]1CN(c2nc3c(cc(Cl)cc3F)s2)C[C@H]1C1CC1 ZINC001606433026 973878430 /nfs/dbraw/zinc/87/84/30/973878430.db2.gz ZCXSOXHCKNDNRE-VHSXEESVSA-N -1 0 340.807 3.636 20 0 EHADRM COc1cc(C)c(NC(=O)c2coc(/C=C/C(=O)[O-])c2)c(C)c1C ZINC001604695218 973890742 /nfs/dbraw/zinc/89/07/42/973890742.db2.gz AKZSJGWDGLIEIH-AATRIKPKSA-N -1 0 329.352 3.564 20 0 EHADRM O=C([O-])c1c(-c2ccsc2)csc1NC(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC001606458507 973899660 /nfs/dbraw/zinc/89/96/60/973899660.db2.gz DQDLTAKSEPYXNB-IRUJWGPZSA-N -1 0 349.433 3.538 20 0 EHADRM O=C([O-])c1c(-c2ccsc2)csc1NC(=O)[C@@H]1CCCOC1 ZINC001606459099 973906964 /nfs/dbraw/zinc/90/69/64/973906964.db2.gz VTOMDANUYBJNBG-SECBINFHSA-N -1 0 337.422 3.540 20 0 EHADRM CC[C@H]1CCCC[C@H]1C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001603620172 973922914 /nfs/dbraw/zinc/92/29/14/973922914.db2.gz YKRVQQRNEUAMPN-WDEREUQCSA-N -1 0 337.441 3.674 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)C[C@H]2CCOc3ccccc32)c1 ZINC000414459477 973941148 /nfs/dbraw/zinc/94/11/48/973941148.db2.gz XINSMXLCSLOOOV-UKRRQHHQSA-N -1 0 339.391 3.770 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)NCCCCCC(=O)[O-] ZINC000414626126 973942857 /nfs/dbraw/zinc/94/28/57/973942857.db2.gz LCUTZKDCUPAZGH-UHFFFAOYSA-N -1 0 332.853 3.578 20 0 EHADRM CCOc1ccc(CNc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1OC ZINC000417607269 973965349 /nfs/dbraw/zinc/96/53/49/973965349.db2.gz GDROEFICCANWLK-CQSZACIVSA-N -1 0 343.423 3.969 20 0 EHADRM CC(C)(C)c1nc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)cs1 ZINC000417702697 973967711 /nfs/dbraw/zinc/96/77/11/973967711.db2.gz KRJCGOQPVQPIGY-UHFFFAOYSA-N -1 0 345.468 3.701 20 0 EHADRM O=C([O-])c1cccc(C(=O)O[C@@H](c2ccccc2)c2ccccn2)c1 ZINC001606509374 974000323 /nfs/dbraw/zinc/00/03/23/974000323.db2.gz CDXLCHHZSYYKDV-SFHVURJKSA-N -1 0 333.343 3.726 20 0 EHADRM Cc1nc(-c2ccc(C(=O)NC[C@H](CC(C)C)C(=O)[O-])cc2)cs1 ZINC000424237436 974020769 /nfs/dbraw/zinc/02/07/69/974020769.db2.gz CVGHJKRFQBJWRC-HNNXBMFYSA-N -1 0 346.452 3.595 20 0 EHADRM CCC(CC)(CNC(=O)N[C@H](C)c1cc2ccccc2o1)C(=O)[O-] ZINC000424385438 974023960 /nfs/dbraw/zinc/02/39/60/974023960.db2.gz GEDJUXOIJWLGJD-GFCCVEGCSA-N -1 0 332.400 3.684 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC001606523344 974029400 /nfs/dbraw/zinc/02/94/00/974029400.db2.gz LLZPNRYLNRFYTF-MRXNPFEDSA-N -1 0 344.798 3.695 20 0 EHADRM C[C@@H](NC(=O)NCCC(C)(C)C(=O)[O-])c1ccccc1C(F)(F)F ZINC000424416546 974030519 /nfs/dbraw/zinc/03/05/19/974030519.db2.gz VADHSHQQLPWCOL-SNVBAGLBSA-N -1 0 346.349 3.567 20 0 EHADRM COCc1cc(NC(=O)Cc2ccc3ccccc3c2)cc(C(=O)[O-])c1 ZINC000427673881 974054253 /nfs/dbraw/zinc/05/42/53/974054253.db2.gz XQNIANUGZHJSTQ-UHFFFAOYSA-N -1 0 349.386 3.866 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)Cc1cc2c(ccc3ccccc23)o1)C(=O)[O-] ZINC000431466242 974066410 /nfs/dbraw/zinc/06/64/10/974066410.db2.gz UIWBVQLCRHLQGV-CWTRNNRKSA-N -1 0 339.391 3.744 20 0 EHADRM O=C([O-])c1cc(NC(=O)CC2CC(c3ccccc3)C2)ccc1O ZINC001605669816 974076951 /nfs/dbraw/zinc/07/69/51/974076951.db2.gz QJGKWECMOZZYLW-UHFFFAOYSA-N -1 0 325.364 3.613 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])cc1 ZINC000432090385 974085300 /nfs/dbraw/zinc/08/53/00/974085300.db2.gz RHXAKCSYYSSQBT-HNAYVOBHSA-N -1 0 333.428 3.627 20 0 EHADRM C[C@H]1CCc2ccccc2[C@H]1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000432100929 974086635 /nfs/dbraw/zinc/08/66/35/974086635.db2.gz WGOAEALNINIKJE-GTNSWQLSSA-N -1 0 327.355 3.577 20 0 EHADRM CC(C)c1ccc(C[C@@H](C)NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000439808778 974110307 /nfs/dbraw/zinc/11/03/07/974110307.db2.gz WMZJJMSMOLJBSN-ZTFGCOKTSA-N -1 0 331.456 3.748 20 0 EHADRM CCN(C(=O)c1ccc(Oc2ccccc2)cc1C)[C@@H](C)C(=O)[O-] ZINC001603714506 974125882 /nfs/dbraw/zinc/12/58/82/974125882.db2.gz LUCQITYRBNMVNZ-AWEZNQCLSA-N -1 0 327.380 3.723 20 0 EHADRM Cc1cc(C(=O)N[C@](C)(CC(=O)[O-])c2cccc(F)c2)sc1C ZINC000448994147 974133096 /nfs/dbraw/zinc/13/30/96/974133096.db2.gz NZUXCUXYTVZWTL-QGZVFWFLSA-N -1 0 335.400 3.624 20 0 EHADRM C[C@H](NC(=O)c1sccc1C1CC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000455930982 974172085 /nfs/dbraw/zinc/17/20/85/974172085.db2.gz INWMNCATTXXHCE-LRDDRELGSA-N -1 0 343.448 3.687 20 0 EHADRM Cc1c(Cl)cccc1C(=O)N[C@@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000455939503 974174568 /nfs/dbraw/zinc/17/45/68/974174568.db2.gz ZCRMZDVFUXBOHW-BBRMVZONSA-N -1 0 345.826 3.710 20 0 EHADRM Cc1c(Cl)cccc1C(=O)N[C@@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000455939509 974174642 /nfs/dbraw/zinc/17/46/42/974174642.db2.gz ZCRMZDVFUXBOHW-XJKSGUPXSA-N -1 0 345.826 3.710 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)COc1cccc(Cl)c1 ZINC000471991715 974199142 /nfs/dbraw/zinc/19/91/42/974199142.db2.gz KKVZLCBOENNKAD-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@H](C)Oc1ccccc1F ZINC000472017676 974200576 /nfs/dbraw/zinc/20/05/76/974200576.db2.gz KWAQORIRQCRNRO-LBPRGKRZSA-N -1 0 331.343 3.547 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCCc2cccc3ccccc32)c(F)c1 ZINC000478821472 974208222 /nfs/dbraw/zinc/20/82/22/974208222.db2.gz BBWDETWVWAZFIH-UHFFFAOYSA-N -1 0 337.350 3.650 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCC2(c3cccc(Cl)c3)CC2)c(F)c1 ZINC000478836185 974209211 /nfs/dbraw/zinc/20/92/11/974209211.db2.gz BNXBCEUAVNWTFM-UHFFFAOYSA-N -1 0 347.773 3.639 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)CCc2ccc3ccccc3c2)cc1 ZINC000485449748 974228337 /nfs/dbraw/zinc/22/83/37/974228337.db2.gz JUAKEVRNQIMCDA-UHFFFAOYSA-N -1 0 347.414 3.830 20 0 EHADRM Cc1ccc(NC(=O)CCCOc2ccc(F)cc2F)cc1C(=O)[O-] ZINC000486355055 974247819 /nfs/dbraw/zinc/24/78/19/974247819.db2.gz GREZXPKSUNMZIO-UHFFFAOYSA-N -1 0 349.333 3.769 20 0 EHADRM O=C([O-])CC1(CNC(=O)/C=C/SCc2ccco2)CCCCC1 ZINC000492389662 974258687 /nfs/dbraw/zinc/25/86/87/974258687.db2.gz GPCZMSFBWDTKAY-UXBLZVDNSA-N -1 0 337.441 3.568 20 0 EHADRM O=C([O-])CC1(CNC(=O)/C=C\SCc2ccco2)CCCCC1 ZINC000492389661 974258749 /nfs/dbraw/zinc/25/87/49/974258749.db2.gz GPCZMSFBWDTKAY-POHAHGRESA-N -1 0 337.441 3.568 20 0 EHADRM CC(C)c1ccc(OCCNC(=O)CC2(CC(=O)[O-])CCCC2)cc1 ZINC000515431799 974299075 /nfs/dbraw/zinc/29/90/75/974299075.db2.gz QFNDFENKMZQLIT-UHFFFAOYSA-N -1 0 347.455 3.730 20 0 EHADRM CCO[C@@H](C)c1nc(CN(C)[C@@H](C(=O)[O-])c2ccccc2C)cs1 ZINC000515491481 974299181 /nfs/dbraw/zinc/29/91/81/974299181.db2.gz GPZDWZGWDUJROO-XJKSGUPXSA-N -1 0 348.468 3.807 20 0 EHADRM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000515672590 974301599 /nfs/dbraw/zinc/30/15/99/974301599.db2.gz FIULKWOYHNTKDK-DOTOQJQBSA-N -1 0 333.428 3.628 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CN1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000515855897 974302707 /nfs/dbraw/zinc/30/27/07/974302707.db2.gz LYCWLFSUTMABSM-ZBEGNZNMSA-N -1 0 349.427 3.856 20 0 EHADRM Cc1ccc(Nc2ccccc2C(=O)NCCCCC(=O)[O-])cc1 ZINC000516500665 974306897 /nfs/dbraw/zinc/30/68/97/974306897.db2.gz YQUIGOLJICDICH-UHFFFAOYSA-N -1 0 326.396 3.723 20 0 EHADRM Cc1ccc(CC(=O)[O-])cc1-c1cc(F)ccc1OC[C@@H]1CCOC1 ZINC000516981291 974312987 /nfs/dbraw/zinc/31/29/87/974312987.db2.gz IHMIMXDAEKCDKS-OAHLLOKOSA-N -1 0 344.382 3.844 20 0 EHADRM COc1ccc(-c2nc(CN3CC[C@@H](C)C[C@H]3C(=O)[O-])cs2)cc1 ZINC000517381625 974317167 /nfs/dbraw/zinc/31/71/67/974317167.db2.gz NLNFCQPCEZOVQD-WBMJQRKESA-N -1 0 346.452 3.504 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000517962130 974319951 /nfs/dbraw/zinc/31/99/51/974319951.db2.gz RJKXIJFUTCZJPH-CVEARBPZSA-N -1 0 339.435 3.824 20 0 EHADRM C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1c1ccc(C(=O)[O-])nn1 ZINC000521629541 974345750 /nfs/dbraw/zinc/34/57/50/974345750.db2.gz PPLUXDCZTGAFDZ-MRVPVSSYSA-N -1 0 338.194 3.605 20 0 EHADRM CCOc1ccc([C@H](C)OC(=O)c2coc(/C=C/C(=O)[O-])c2)cc1 ZINC001603869522 974372133 /nfs/dbraw/zinc/37/21/33/974372133.db2.gz KKBUUQKEWNDXSK-BCPZQOPPSA-N -1 0 330.336 3.694 20 0 EHADRM O=C([O-])CC1(NC(=O)c2ccc(-c3ccccc3)[nH]2)CCCCC1 ZINC000532602903 974376129 /nfs/dbraw/zinc/37/61/29/974376129.db2.gz VLXRAEMSLKBTQS-UHFFFAOYSA-N -1 0 326.396 3.589 20 0 EHADRM CCSc1ccccc1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000539571987 974395726 /nfs/dbraw/zinc/39/57/26/974395726.db2.gz IUBPVCHVKFXLAK-UHFFFAOYSA-N -1 0 331.393 3.514 20 0 EHADRM CCSc1cccc(CNC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)c1 ZINC001603896178 974401008 /nfs/dbraw/zinc/40/10/08/974401008.db2.gz XWKCRWAQFIHQJP-UHFFFAOYSA-N -1 0 335.469 3.552 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)COc1cc(Cl)ccc1Cl ZINC000540670780 974404436 /nfs/dbraw/zinc/40/44/36/974404436.db2.gz DGXIRBQAPZRSNL-UHFFFAOYSA-N -1 0 348.226 3.522 20 0 EHADRM CSCc1cc(C(=O)Nc2ccc(C)cc2C(=O)[O-])ccc1F ZINC000544407265 974420928 /nfs/dbraw/zinc/42/09/28/974420928.db2.gz AZTCPQFTOFJERE-UHFFFAOYSA-N -1 0 333.384 3.948 20 0 EHADRM Cc1cc(N2CCSCC2)ccc1NC(=O)c1ccc(F)cc1[O-] ZINC000123583175 1014194716 /nfs/dbraw/zinc/19/47/16/1014194716.db2.gz LPEUYDYVKPOOFT-UHFFFAOYSA-N -1 0 346.427 3.645 20 0 EHADRM CCN(C(=O)Cc1cccc(C(=O)[O-])c1)[C@@H](C)c1ccc(F)cc1 ZINC000554278583 974482519 /nfs/dbraw/zinc/48/25/19/974482519.db2.gz MOFXALOPNQAEMS-ZDUSSCGKSA-N -1 0 329.371 3.676 20 0 EHADRM Cc1csc2nc(C)nc(N3CCc4c(cccc4C(=O)[O-])C3)c12 ZINC000565041877 974565517 /nfs/dbraw/zinc/56/55/17/974565517.db2.gz XPVXAFYQSVBQBO-UHFFFAOYSA-N -1 0 339.420 3.569 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)c1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000566288746 974602079 /nfs/dbraw/zinc/60/20/79/974602079.db2.gz MKEMSRPQKZRHJF-FZMZJTMJSA-N -1 0 345.361 3.801 20 0 EHADRM O=C([O-])c1ccc(CN2CCSC[C@@H]2c2ccc(Cl)cc2)nc1 ZINC000566361431 974609326 /nfs/dbraw/zinc/60/93/26/974609326.db2.gz JXCASWKMZPNCHF-MRXNPFEDSA-N -1 0 348.855 3.723 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)NC(C)(C)Cc1ccc(Cl)cc1Cl ZINC000566484876 974612773 /nfs/dbraw/zinc/61/27/73/974612773.db2.gz ZDWWFFXSLDSUHL-JTQLQIEISA-N -1 0 346.254 3.932 20 0 EHADRM CCc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2Br)o1 ZINC000567822230 974646005 /nfs/dbraw/zinc/64/60/05/974646005.db2.gz SYBABTVYYOHBKC-CQSZACIVSA-N -1 0 338.201 3.520 20 0 EHADRM CC(C)CO[C@H]1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC000568066744 974659241 /nfs/dbraw/zinc/65/92/41/974659241.db2.gz BDGPCFOOZFWWSA-NHYWBVRUSA-N -1 0 346.254 3.866 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@H](c1ccccc1)c1cccc(F)c1 ZINC000568294782 974668065 /nfs/dbraw/zinc/66/80/65/974668065.db2.gz BVCJJINAWCGNOU-ORAYPTAESA-N -1 0 329.371 3.532 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(C(=O)NC2(CC(=O)[O-])CC2)cc1F ZINC000568522314 974673095 /nfs/dbraw/zinc/67/30/95/974673095.db2.gz VOSUGLHAXNUQMB-UHFFFAOYSA-N -1 0 345.345 3.677 20 0 EHADRM CC(C)(c1ccccc1)C1(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)CC1 ZINC000569123498 974684608 /nfs/dbraw/zinc/68/46/08/974684608.db2.gz WXYNJYVVUKNWHH-SHTZXODSSA-N -1 0 329.440 3.504 20 0 EHADRM O=C([O-])[C@@H](c1cccnc1)N1CC2(CCCC2)c2c1cccc2F ZINC000570808707 974719228 /nfs/dbraw/zinc/71/92/28/974719228.db2.gz XFMQKXVBNLAELM-QGZVFWFLSA-N -1 0 326.371 3.678 20 0 EHADRM CC(C)[C@H](C(=O)NC[C@@H](CC1CC1)C(=O)[O-])c1cccc(Cl)c1 ZINC000571051929 974722922 /nfs/dbraw/zinc/72/29/22/974722922.db2.gz DPEVDEVOCFKBHO-ZBFHGGJFSA-N -1 0 337.847 3.697 20 0 EHADRM Cc1cc(C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)sc1-c1ccccc1 ZINC000571895024 974738121 /nfs/dbraw/zinc/73/81/21/974738121.db2.gz OVEXRRILHDSFSR-TZMCWYRMSA-N -1 0 329.421 3.659 20 0 EHADRM CCCN(Cc1oncc1C(=O)[O-])Cc1c(F)cccc1Cl ZINC000572772773 974754431 /nfs/dbraw/zinc/75/44/31/974754431.db2.gz NNNHEEIZVROHSI-UHFFFAOYSA-N -1 0 326.755 3.578 20 0 EHADRM Cc1cc([C@@H](NC(=O)Cc2cccc(C(=O)[O-])c2)C2CC2)ccc1F ZINC000573221554 974762170 /nfs/dbraw/zinc/76/21/70/974762170.db2.gz HQJJXRDXRFCACN-IBGZPJMESA-N -1 0 341.382 3.642 20 0 EHADRM COc1cc2c(cc1Cl)CN([C@@H](C(=O)[O-])c1ccsc1)CC2 ZINC000573505812 974767415 /nfs/dbraw/zinc/76/74/15/974767415.db2.gz BTBAMAWTULYRRW-OAHLLOKOSA-N -1 0 337.828 3.594 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCC[C@H](CCCc2ccccc2)C1 ZINC000573623967 974769232 /nfs/dbraw/zinc/76/92/32/974769232.db2.gz GUGQXOYHMOCINZ-WMZOPIPTSA-N -1 0 331.456 3.749 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)NCCSCc1cccc2ccccc21 ZINC000575935482 974804048 /nfs/dbraw/zinc/80/40/48/974804048.db2.gz USTRHXWZIIGPOF-AWEZNQCLSA-N -1 0 345.464 3.690 20 0 EHADRM CSc1ccc(CCCC(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000577952837 974845302 /nfs/dbraw/zinc/84/53/02/974845302.db2.gz FGBPDOSFEAHYDS-UHFFFAOYSA-N -1 0 343.448 3.997 20 0 EHADRM COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1cc(C(=O)[O-])ccc1Cl ZINC000578329466 974853052 /nfs/dbraw/zinc/85/30/52/974853052.db2.gz FAMFPHAXTQUSJU-QGZVFWFLSA-N -1 0 347.842 3.728 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)c2ccccc12 ZINC000584345198 974953814 /nfs/dbraw/zinc/95/38/14/974953814.db2.gz QTBRHSKHKLPRPD-MGPQQGTHSA-N -1 0 339.391 3.678 20 0 EHADRM Cc1c(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)cccc1C(=O)[O-] ZINC000614630961 975021316 /nfs/dbraw/zinc/02/13/16/975021316.db2.gz PBGFCFIGHYKFCC-UHFFFAOYSA-N -1 0 341.411 3.774 20 0 EHADRM Cc1nc(-c2ccccc2)ccc1C(=O)N1CCCCC[C@@H]1C(=O)[O-] ZINC000621568429 975035590 /nfs/dbraw/zinc/03/55/90/975035590.db2.gz WBTNMYUWFLSMHU-GOSISDBHSA-N -1 0 338.407 3.526 20 0 EHADRM Cc1cccc(C2(C(=O)N3CCc4c(cccc4C(=O)[O-])C3)CCC2)c1 ZINC000621579057 975040099 /nfs/dbraw/zinc/04/00/99/975040099.db2.gz SBUFTYHODSSXAX-UHFFFAOYSA-N -1 0 349.430 3.700 20 0 EHADRM CC(C)CCOc1ccc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])cc1 ZINC000621619563 975062832 /nfs/dbraw/zinc/06/28/32/975062832.db2.gz RPNPOBAIJYAZPB-MRXNPFEDSA-N -1 0 333.428 3.581 20 0 EHADRM Cc1cc(C(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)oc1C(=O)[O-] ZINC000630122554 975110707 /nfs/dbraw/zinc/11/07/07/975110707.db2.gz ROXGMYPATUIMQK-UKRRQHHQSA-N -1 0 327.380 3.552 20 0 EHADRM CC[C@H]1CCCC[C@@H]1C(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC000630132734 975117959 /nfs/dbraw/zinc/11/79/59/975117959.db2.gz VFGUPNLEROKHLY-AAEUAGOBSA-N -1 0 335.400 3.557 20 0 EHADRM CCc1ccc(F)cc1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000630143465 975127155 /nfs/dbraw/zinc/12/71/55/975127155.db2.gz GBDJCOIGVIYFDP-UHFFFAOYSA-N -1 0 345.370 3.884 20 0 EHADRM Cc1ccccc1C[C@H](C)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000630156517 975133324 /nfs/dbraw/zinc/13/33/24/975133324.db2.gz HOOHTFIYNXNJEX-DOTOQJQBSA-N -1 0 331.456 3.523 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCCC23CC3)C[C@H]1c1ccc(Cl)cc1 ZINC000630172801 975142143 /nfs/dbraw/zinc/14/21/43/975142143.db2.gz FHVRSNVFIMXEFZ-XHSDSOJGSA-N -1 0 347.842 3.547 20 0 EHADRM Cc1cc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)oc1C(=O)[O-] ZINC000630181774 975145282 /nfs/dbraw/zinc/14/52/82/975145282.db2.gz NWOQBFNQWYIODP-XHSDSOJGSA-N -1 0 339.391 3.695 20 0 EHADRM Cc1cccc(CO[C@@H](C)C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c1 ZINC000630193068 975151906 /nfs/dbraw/zinc/15/19/06/975151906.db2.gz AUEKLCWRMHAQFY-CABCVRRESA-N -1 0 341.407 3.727 20 0 EHADRM CC(C)CN(Cc1cccc(Cl)c1)C(=O)c1cncc(C(=O)[O-])c1 ZINC000630219448 975165799 /nfs/dbraw/zinc/16/57/99/975165799.db2.gz LHUREOFQBPXXKO-UHFFFAOYSA-N -1 0 346.814 3.732 20 0 EHADRM O=C([O-])Cc1ccc(CNC(=O)CC2CC(c3ccccc3)C2)cc1 ZINC000630232663 975180063 /nfs/dbraw/zinc/18/00/63/975180063.db2.gz LZARBNDWCCAACR-UHFFFAOYSA-N -1 0 337.419 3.514 20 0 EHADRM CC(C)(C(=O)NCc1ccc(CC(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000630234008 975181341 /nfs/dbraw/zinc/18/13/41/975181341.db2.gz ZVGFFGFDULNWPN-UHFFFAOYSA-N -1 0 345.826 3.561 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)C1(C)C ZINC000630237594 975182763 /nfs/dbraw/zinc/18/27/63/975182763.db2.gz CLTJUNIWLUNRKN-WBVHZDCISA-N -1 0 345.414 3.647 20 0 EHADRM C[C@@H](CC(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1)c1ccccc1 ZINC000630238353 975183717 /nfs/dbraw/zinc/18/37/17/975183717.db2.gz JYFSKFGXQIGACL-ZDUSSCGKSA-N -1 0 341.382 3.602 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCC2CCC2)c(OCC(F)F)c1 ZINC000630255462 975198830 /nfs/dbraw/zinc/19/88/30/975198830.db2.gz ITKBOKKDDGUKRH-UHFFFAOYSA-N -1 0 327.327 3.548 20 0 EHADRM CC[C@@H](C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1)c1ccccc1 ZINC000630260148 975204238 /nfs/dbraw/zinc/20/42/38/975204238.db2.gz UEEMPRQOCUCINB-SWLSCSKDSA-N -1 0 345.370 3.810 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)C2CCC(C3CC3)CC2)cc1F)C(=O)[O-] ZINC000630260585 975204701 /nfs/dbraw/zinc/20/47/01/975204701.db2.gz LBBYEJOWXWAMMI-XGNXJENSSA-N -1 0 349.402 3.833 20 0 EHADRM COc1cccc([C@H](C)CC(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)c1 ZINC000630265425 975209151 /nfs/dbraw/zinc/20/91/51/975209151.db2.gz OIFPDIJPONVXLM-RDTXWAMCSA-N -1 0 347.455 3.586 20 0 EHADRM C[C@H](C(=O)NC[C@H](C(=O)[O-])C1CCCCC1)c1ccc(Cl)s1 ZINC000630265924 975209892 /nfs/dbraw/zinc/20/98/92/975209892.db2.gz SVAQVIZOXHWJHQ-JQWIXIFHSA-N -1 0 343.876 3.902 20 0 EHADRM Cc1cc(C(=O)N2CC[C@@H](c3ccc(F)cc3)C2(C)C)oc1C(=O)[O-] ZINC000630267212 975211016 /nfs/dbraw/zinc/21/10/16/975211016.db2.gz HWCPQPJUWYJCJB-AWEZNQCLSA-N -1 0 345.370 3.834 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000630286182 975230200 /nfs/dbraw/zinc/23/02/00/975230200.db2.gz VEFSURRQWWLZLF-FQBWVUSXSA-N -1 0 341.451 3.672 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)cc1 ZINC000630287203 975231683 /nfs/dbraw/zinc/23/16/83/975231683.db2.gz XANLZTRRDMBUGH-FCLVOEFKSA-N -1 0 343.467 3.844 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)NC1CCC2(CC2)CC1)C(=O)[O-] ZINC000630294286 975234944 /nfs/dbraw/zinc/23/49/44/975234944.db2.gz KIXXNXPFUNSQBE-GFCCVEGCSA-N -1 0 333.453 3.704 20 0 EHADRM Cc1c(C(=O)N2C3CCC2(C(=O)[O-])CC3)sc2cccc(F)c12 ZINC000630324221 975252255 /nfs/dbraw/zinc/25/22/55/975252255.db2.gz HOYAMSDDCPRHTJ-UHFFFAOYSA-N -1 0 333.384 3.571 20 0 EHADRM Cn1cc(CNc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c(C(C)(C)C)n1 ZINC000630468065 975266217 /nfs/dbraw/zinc/26/62/17/975266217.db2.gz PGSQASAKSZWNCZ-JKSUJKDBSA-N -1 0 327.428 3.518 20 0 EHADRM CC[C@](C)(NC(=O)CC1(CC(=O)[O-])CCCC1)c1nc(C)cs1 ZINC000634888016 975280374 /nfs/dbraw/zinc/28/03/74/975280374.db2.gz SKQWWUDOTDSRGF-INIZCTEOSA-N -1 0 338.473 3.618 20 0 EHADRM O=C([O-])c1ccc(NCC2(c3ccccc3Cl)CCOCC2)nc1 ZINC000647449626 975362344 /nfs/dbraw/zinc/36/23/44/975362344.db2.gz LUGZWTRMBJIRJR-UHFFFAOYSA-N -1 0 346.814 3.594 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)C2CC3(CCC3)C2)c2ccccc12 ZINC000649244858 975385076 /nfs/dbraw/zinc/38/50/76/975385076.db2.gz YVJHMUJWGZBZCO-UHFFFAOYSA-N -1 0 339.391 3.822 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCC(c2cccc(F)c2F)CC1 ZINC000649256024 975395307 /nfs/dbraw/zinc/39/53/07/975395307.db2.gz KONRBRFVUWYQOX-UHFFFAOYSA-N -1 0 339.382 3.562 20 0 EHADRM CC1(C)C[C@H](c2ccccc2)N(C(=O)c2cccc(CC(=O)[O-])c2)C1 ZINC000649265903 975406452 /nfs/dbraw/zinc/40/64/52/975406452.db2.gz RULZLXJUZWHICL-GOSISDBHSA-N -1 0 337.419 3.927 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N(CCC(F)(F)F)Cc1ccccc1 ZINC000649371288 975408334 /nfs/dbraw/zinc/40/83/34/975408334.db2.gz CHHSFSKHUMCSIW-UHFFFAOYSA-N -1 0 345.361 3.859 20 0 EHADRM CC(C)Nc1cccc(F)c1NC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001591672073 975432764 /nfs/dbraw/zinc/43/27/64/975432764.db2.gz LBTNTYGEECWACQ-SREVYHEPSA-N -1 0 332.331 3.589 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)[C@H]2C[C@@H]2C2CCCC2)cc1 ZINC000652062369 975463152 /nfs/dbraw/zinc/46/31/52/975463152.db2.gz HLDYEAMFBRVVNV-SJORKVTESA-N -1 0 331.412 3.695 20 0 EHADRM C[C@@H](C(=O)N1CCc2ccc(C(=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000652066148 975465098 /nfs/dbraw/zinc/46/50/98/975465098.db2.gz ZXFIRAXBRYBDJY-GFCCVEGCSA-N -1 0 343.810 3.727 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC000652066447 975465300 /nfs/dbraw/zinc/46/53/00/975465300.db2.gz KQMIKKGLSQPGQL-QZTJIDSGSA-N -1 0 329.440 3.706 20 0 EHADRM CC(C)O[C@H](CN1CCc2ccc(C(=O)[O-])cc21)c1ccccc1 ZINC001591686599 975496496 /nfs/dbraw/zinc/49/64/96/975496496.db2.gz PXYDYLPOBJPJTF-LJQANCHMSA-N -1 0 325.408 3.914 20 0 EHADRM CC(C)O[C@H](COC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001591686610 975497966 /nfs/dbraw/zinc/49/79/66/975497966.db2.gz QDMYDGWCNHFGBF-GVDBMIGSSA-N -1 0 334.412 3.587 20 0 EHADRM Cc1oc(CN2CC[C@@H](Oc3ccccc3Cl)C2)cc1C(=O)[O-] ZINC000652435143 975530928 /nfs/dbraw/zinc/53/09/28/975530928.db2.gz QOOFMVIBSDUNDQ-GFCCVEGCSA-N -1 0 335.787 3.593 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1cccc(CC(=O)[O-])c1 ZINC000653642888 975611048 /nfs/dbraw/zinc/61/10/48/975611048.db2.gz BAAFXRQDODJZPJ-IBGZPJMESA-N -1 0 339.435 3.797 20 0 EHADRM CCOc1ccc(-c2csc(NC(=O)CCCCC(=O)[O-])n2)cc1 ZINC000655553267 975627674 /nfs/dbraw/zinc/62/76/74/975627674.db2.gz GPINKDVCDASYDJ-UHFFFAOYSA-N -1 0 348.424 3.792 20 0 EHADRM CN(Cc1ccccc1)c1ccccc1NC(=O)CCCCC(=O)[O-] ZINC000655554657 975628019 /nfs/dbraw/zinc/62/80/19/975628019.db2.gz YCVVVOZUUSHQHO-UHFFFAOYSA-N -1 0 340.423 3.907 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 ZINC000655550740 975628072 /nfs/dbraw/zinc/62/80/72/975628072.db2.gz ZWJQJNSDIIFODH-UHFFFAOYSA-N -1 0 344.436 3.882 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000656233007 975649266 /nfs/dbraw/zinc/64/92/66/975649266.db2.gz KSVGGIZFEVOMPT-ORAYPTAESA-N -1 0 329.371 3.532 20 0 EHADRM Cc1cc(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])sc1-c1ccccc1 ZINC000656242734 975654708 /nfs/dbraw/zinc/65/47/08/975654708.db2.gz UGMZCJHKQZVELW-KGLIPLIRSA-N -1 0 329.421 3.707 20 0 EHADRM C[C@@]1(C2CC2)CN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CCO1 ZINC000656757407 975684790 /nfs/dbraw/zinc/68/47/90/975684790.db2.gz NDBPVXLSTWEARW-HOCLYGCPSA-N -1 0 344.238 3.620 20 0 EHADRM CN(Cc1noc(CCCC(=O)[O-])n1)C1CC(C)(C)CC(C)(C)C1 ZINC000656760568 975688105 /nfs/dbraw/zinc/68/81/05/975688105.db2.gz DORGWPVVBLWSGV-UHFFFAOYSA-N -1 0 337.464 3.514 20 0 EHADRM O=C([O-])[C@@H]1CCN(Cc2noc(C3CCCCC3)n2)[C@@H]2CCCC[C@H]12 ZINC000656768577 975703892 /nfs/dbraw/zinc/70/38/92/975703892.db2.gz VTOVJNSUSMVIKE-BZUAXINKSA-N -1 0 347.459 3.583 20 0 EHADRM COc1ccc([C@@H]2CCCN2c2nc(C(=O)[O-])c(C)s2)cc1F ZINC000656784170 975707236 /nfs/dbraw/zinc/70/72/36/975707236.db2.gz ZHSYTOBFEWYUHK-LBPRGKRZSA-N -1 0 336.388 3.639 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000659120813 975718521 /nfs/dbraw/zinc/71/85/21/975718521.db2.gz BXEWSRAKUUIOHA-CQSZACIVSA-N -1 0 333.771 3.917 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)NCC(C)(C)c1cccc(Cl)c1 ZINC000659122566 975723187 /nfs/dbraw/zinc/72/31/87/975723187.db2.gz WZMZPRYEDITLSO-UHFFFAOYSA-N -1 0 335.787 3.647 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000659122654 975723517 /nfs/dbraw/zinc/72/35/17/975723517.db2.gz FZPLAXFVWMVAFE-UHFFFAOYSA-N -1 0 347.342 3.999 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)Cc1ccco1 ZINC000659124491 975724730 /nfs/dbraw/zinc/72/47/30/975724730.db2.gz QHOAPDWYYWAZKR-GFCCVEGCSA-N -1 0 331.368 3.582 20 0 EHADRM CN(C(=O)c1cc2cc(C(F)(F)F)ccc2s1)C(C)(C)C(=O)[O-] ZINC000659125008 975725741 /nfs/dbraw/zinc/72/57/41/975725741.db2.gz NXMJQJKSROUDAR-UHFFFAOYSA-N -1 0 345.342 3.855 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)[C@@H]2CCC[C@H]3C[C@H]32)c2ccccc12 ZINC000659129191 975727858 /nfs/dbraw/zinc/72/78/58/975727858.db2.gz HHIIFEWVNVYLNF-APHBMKBZSA-N -1 0 339.391 3.678 20 0 EHADRM CC(C)C[C@@H](C(=O)N(C)C[C@H](C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000659131059 975731888 /nfs/dbraw/zinc/73/18/88/975731888.db2.gz OAWIZYMTSLERPG-SWLSCSKDSA-N -1 0 325.836 3.649 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NCc1nc(C(=O)[O-])cs1 ZINC001591737191 975733654 /nfs/dbraw/zinc/73/36/54/975733654.db2.gz LJWCMHUHTILRQQ-UHFFFAOYSA-N -1 0 326.805 3.894 20 0 EHADRM CC(C)Oc1c(NC(=O)C[C@H]2CCCC2(F)F)cccc1C(=O)[O-] ZINC001591741492 975754725 /nfs/dbraw/zinc/75/47/25/975754725.db2.gz JICLDBNZPCJYPH-LLVKDONJSA-N -1 0 341.354 3.936 20 0 EHADRM CC[C@@](CNC(=O)[C@]1(C)CC=C(C)CC1)(C(=O)[O-])c1ccccc1 ZINC000659160204 975759627 /nfs/dbraw/zinc/75/96/27/975759627.db2.gz GXSCCEGUJGDZER-UXHICEINSA-N -1 0 329.440 3.672 20 0 EHADRM CC(C)Oc1c(NC(=O)CCCC(=O)C(C)(C)C)cccc1C(=O)[O-] ZINC001591742213 975760346 /nfs/dbraw/zinc/76/03/46/975760346.db2.gz WQAIFBCOVVPTAS-UHFFFAOYSA-N -1 0 349.427 3.896 20 0 EHADRM Cc1cc(F)ccc1C[C@H](C)NC(=O)CCc1ccccc1C(=O)[O-] ZINC000659166447 975765661 /nfs/dbraw/zinc/76/56/61/975765661.db2.gz KKKBKNLSFJHJAE-AWEZNQCLSA-N -1 0 343.398 3.512 20 0 EHADRM C[C@@]1(Cc2ccccc2Cl)CCCN1C(=O)CCCCC(=O)[O-] ZINC000659175108 975773121 /nfs/dbraw/zinc/77/31/21/975773121.db2.gz YNXWSSLXTRVYNS-SFHVURJKSA-N -1 0 337.847 3.909 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3c(s2)CCCC3)[C@H]2CCCC[C@H]12 ZINC000659194604 975795755 /nfs/dbraw/zinc/79/57/55/975795755.db2.gz MFCCZYUACZNRHE-KFWWJZLASA-N -1 0 347.480 3.732 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2csc3c2CCCC3)[C@H]2CCCC[C@H]12 ZINC000659195877 975799541 /nfs/dbraw/zinc/79/95/41/975799541.db2.gz RTBQMQUYBUGQMR-XPKDYRNWSA-N -1 0 347.480 3.732 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cccc(F)c2Cl)[C@@H]2CCCC[C@H]12 ZINC000659196711 975801269 /nfs/dbraw/zinc/80/12/69/975801269.db2.gz XLHXJVYOMHPDRD-JTNHKYCSSA-N -1 0 339.794 3.585 20 0 EHADRM C[C@H](CC(=O)N[C@](C)(CCF)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000659217052 975827358 /nfs/dbraw/zinc/82/73/58/975827358.db2.gz WWVGPCSNWFJQQD-MEBBXXQBSA-N -1 0 349.324 3.518 20 0 EHADRM CCc1cc(C(=O)N[C@](C)(CCF)C(=O)[O-])sc1-c1ccccc1 ZINC000659216421 975827845 /nfs/dbraw/zinc/82/78/45/975827845.db2.gz WZHGOZBJRVQLLU-GOSISDBHSA-N -1 0 349.427 3.910 20 0 EHADRM CCCN(CC(F)F)[C@@H](C(=O)[O-])c1ccccc1Br ZINC000659786899 975873281 /nfs/dbraw/zinc/87/32/81/975873281.db2.gz NRQYHKJFQRXVBH-GFCCVEGCSA-N -1 0 336.176 3.552 20 0 EHADRM CCN(Cc1ccoc1)[C@H](C(=O)[O-])c1ccccc1Br ZINC000659786760 975873616 /nfs/dbraw/zinc/87/36/16/975873616.db2.gz BTUIJPIYNQFELC-AWEZNQCLSA-N -1 0 338.201 3.690 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NCCCc1ccco1 ZINC001591769547 975893741 /nfs/dbraw/zinc/89/37/41/975893741.db2.gz NRFJPHGDPNPIAF-UHFFFAOYSA-N -1 0 346.383 3.519 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N[C@H]1CC[C@H](C)CC1 ZINC001591769761 975897455 /nfs/dbraw/zinc/89/74/55/975897455.db2.gz ZSNVJQZRXTWHPY-MQMHXKEQSA-N -1 0 334.416 3.872 20 0 EHADRM CC(C)Oc1ccc(N(C)C(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC001591778080 975936405 /nfs/dbraw/zinc/93/64/05/975936405.db2.gz MFBDEVCXFNIJHK-UHFFFAOYSA-N -1 0 334.397 3.902 20 0 EHADRM Cc1ccc(-c2ccc(C)c(NC(=O)NCC3(C(=O)[O-])CC3)c2)o1 ZINC000663354754 975948026 /nfs/dbraw/zinc/94/80/26/975948026.db2.gz XKFGDYSFBIEGHF-UHFFFAOYSA-N -1 0 328.368 3.550 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000666361657 975960792 /nfs/dbraw/zinc/96/07/92/975960792.db2.gz NENMFSSBVUEGCH-KBPBESRZSA-N -1 0 349.477 3.951 20 0 EHADRM Cc1c(NC(=O)c2ccc([C@H]3CCCOC3)cc2)cccc1C(=O)[O-] ZINC000668268695 975977891 /nfs/dbraw/zinc/97/78/91/975977891.db2.gz YPPYKEHTASWGLL-INIZCTEOSA-N -1 0 339.391 3.840 20 0 EHADRM CC(C)Oc1ccc(NC(=O)c2occ3c2CCC3)c(C(=O)[O-])c1 ZINC001591788856 975978258 /nfs/dbraw/zinc/97/82/58/975978258.db2.gz YFQZZBYVJAIXLB-UHFFFAOYSA-N -1 0 329.352 3.506 20 0 EHADRM CC[C@@H](C)[C@@H](OC)C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000668290641 975986607 /nfs/dbraw/zinc/98/66/07/975986607.db2.gz UZWDFMYEUSWAIV-XVGQJIODSA-N -1 0 343.423 3.533 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N[C@@H](C2CCCCC2)C(F)(F)F)cc1 ZINC000668301152 975990828 /nfs/dbraw/zinc/99/08/28/975990828.db2.gz FFOCCSOYJIRJPI-HNNXBMFYSA-N -1 0 343.345 3.555 20 0 EHADRM CC(C)Oc1cccc(CC(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC001591792103 975993775 /nfs/dbraw/zinc/99/37/75/975993775.db2.gz FLPGXZFPHOYGJY-LBPRGKRZSA-N -1 0 332.352 3.612 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000669435888 976003159 /nfs/dbraw/zinc/00/31/59/976003159.db2.gz TXPBRTSUIFFSDT-GUYCJALGSA-N -1 0 341.382 3.609 20 0 EHADRM CC(C)Oc1cccc(NC(=O)N[C@@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC001591797015 976012069 /nfs/dbraw/zinc/01/20/69/976012069.db2.gz UMKGGIKQWSNVNF-JTQLQIEISA-N -1 0 349.412 3.511 20 0 EHADRM O=C([O-])CN(C(=O)c1cc2ccc(Cl)cc2[nH]1)C1CCCCC1 ZINC000675993510 976024073 /nfs/dbraw/zinc/02/40/73/976024073.db2.gz GMWLKVXKEGEXDQ-UHFFFAOYSA-N -1 0 334.803 3.681 20 0 EHADRM COc1ccccc1C1(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CC1 ZINC000676002699 976026999 /nfs/dbraw/zinc/02/69/99/976026999.db2.gz UZSHUNMKSOMYPL-UHFFFAOYSA-N -1 0 345.782 3.717 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC001591804415 976029599 /nfs/dbraw/zinc/02/95/99/976029599.db2.gz IUOYLWAUQZAMGI-OAHLLOKOSA-N -1 0 348.443 3.876 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001591804826 976032452 /nfs/dbraw/zinc/03/24/52/976032452.db2.gz ZRXQGEDHQBHRNU-AUUYWEPGSA-N -1 0 346.427 3.583 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)c1ccccc1SCc1ccco1 ZINC000678975746 976033179 /nfs/dbraw/zinc/03/31/79/976033179.db2.gz NHJBVKSEUROLJJ-UHFFFAOYSA-N -1 0 333.409 3.509 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2[nH]c3ccccc3c2Cl)C1 ZINC000679100704 976043213 /nfs/dbraw/zinc/04/32/13/976043213.db2.gz JQWLQAVUTXTBRO-NSHDSACASA-N -1 0 334.803 3.538 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000679105147 976046883 /nfs/dbraw/zinc/04/68/83/976046883.db2.gz KTNPFYBJZWLWBM-RDJZCZTQSA-N -1 0 347.455 3.502 20 0 EHADRM CC(C)SCC(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001591823129 976072513 /nfs/dbraw/zinc/07/25/13/976072513.db2.gz CCLAOLNTIQERDE-UHFFFAOYSA-N -1 0 347.889 3.987 20 0 EHADRM CC(C)Sc1c(Cl)cccc1NC(=O)NC1(CC(=O)[O-])CC1 ZINC001591828479 976086657 /nfs/dbraw/zinc/08/66/57/976086657.db2.gz QNOIGISWNVEXKN-UHFFFAOYSA-N -1 0 342.848 3.969 20 0 EHADRM CC(C)Sc1c(Cl)cccc1NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001591828848 976089099 /nfs/dbraw/zinc/08/90/99/976089099.db2.gz ZEIUUTJIPKUODH-AOOOYVTPSA-N -1 0 327.833 3.890 20 0 EHADRM CC(C)c1[nH]ccc1C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001591918884 976386805 /nfs/dbraw/zinc/38/68/05/976386805.db2.gz ZIPKNGLXEHWGRH-INIZCTEOSA-N -1 0 328.412 3.720 20 0 EHADRM CCOC(=O)c1cnc(NC(=O)c2oc3c(c2C)c(C)ccc3C)[n-]1 ZINC000339391911 1014327277 /nfs/dbraw/zinc/32/72/77/1014327277.db2.gz RGXIJWAQTCHOLE-UHFFFAOYSA-N -1 0 341.367 3.510 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)c(O)c1 ZINC001591942481 976470189 /nfs/dbraw/zinc/47/01/89/976470189.db2.gz RLRSTBWSZNMGET-CYBMUJFWSA-N -1 0 333.409 3.523 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)nc1 ZINC001591943578 976480692 /nfs/dbraw/zinc/48/06/92/976480692.db2.gz WJOMEOROQFAJEB-UHFFFAOYSA-N -1 0 335.363 3.704 20 0 EHADRM CC(C)c1ccc(C[S@](=O)CCc2ccccc2C(=O)[O-])cc1 ZINC001591957231 976527423 /nfs/dbraw/zinc/52/74/23/976527423.db2.gz FKDHHPILYOELJY-HSZRJFAPSA-N -1 0 330.449 4.000 20 0 EHADRM CC(C)c1ccc(CN[C@@H](C(=O)[O-])c2ccnn2C)c(C(C)C)c1 ZINC001591957081 976527815 /nfs/dbraw/zinc/52/78/15/976527815.db2.gz BEYILWZHXVMSIV-GOSISDBHSA-N -1 0 329.444 3.582 20 0 EHADRM CC(C)c1ccc(NC(=O)[C@@H]2C[C@H]2C2CCOCC2)c(C(=O)[O-])c1 ZINC001591965216 976555826 /nfs/dbraw/zinc/55/58/26/976555826.db2.gz HVXCCGHKRAKBMK-LSDHHAIUSA-N -1 0 331.412 3.509 20 0 EHADRM CC(C)c1ccc(NC(=O)CNc2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC001591966006 976562428 /nfs/dbraw/zinc/56/24/28/976562428.db2.gz XKOGTHJSPQGDNY-UHFFFAOYSA-N -1 0 348.349 3.837 20 0 EHADRM CC(C)c1ccc(OCCC(=O)OCc2ccoc2C(=O)[O-])cc1 ZINC001591972853 976572806 /nfs/dbraw/zinc/57/28/06/976572806.db2.gz POWIDVWEHFDFFH-UHFFFAOYSA-N -1 0 332.352 3.614 20 0 EHADRM CC(C)c1ccc(S[C@H](CNC(=O)c2ccccc2)C(=O)[O-])cc1 ZINC001591974059 976585040 /nfs/dbraw/zinc/58/50/40/976585040.db2.gz PZYBDOAFYATZJD-QGZVFWFLSA-N -1 0 343.448 3.785 20 0 EHADRM CC(C)c1ccc2occ(C(=O)NCC3(C(=O)[O-])CCCC3)c2c1 ZINC001591981128 976595911 /nfs/dbraw/zinc/59/59/11/976595911.db2.gz NXTSGTXRVUCGRS-UHFFFAOYSA-N -1 0 329.396 3.931 20 0 EHADRM CC(C)c1cccc(-c2ccc(C(=O)N[C@H]3CC[C@H]3C(=O)[O-])o2)c1 ZINC001591984047 976605320 /nfs/dbraw/zinc/60/53/20/976605320.db2.gz XMJANXQOKPMKRR-CABCVRRESA-N -1 0 327.380 3.663 20 0 EHADRM CC(C)c1ccccc1OCCC(=O)NCC1(C(=O)[O-])CCCCC1 ZINC001592003639 976664161 /nfs/dbraw/zinc/66/41/61/976664161.db2.gz CPLGCGWFKNTYSX-UHFFFAOYSA-N -1 0 347.455 3.730 20 0 EHADRM CC(C)c1nc(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)c[nH]1 ZINC001592011836 976691088 /nfs/dbraw/zinc/69/10/88/976691088.db2.gz XNGPFRYYGAPSBW-UHFFFAOYSA-N -1 0 329.381 3.698 20 0 EHADRM CC(C)c1nc(NC(=O)CCc2ccccc2F)sc1C(=O)[O-] ZINC001592023096 976725331 /nfs/dbraw/zinc/72/53/31/976725331.db2.gz ZRYOHHUDYQQUNU-UHFFFAOYSA-N -1 0 336.388 3.675 20 0 EHADRM CC(C)c1nc2ccccc2c(SCC(=O)C(C)(C)C(=O)[O-])n1 ZINC001592030520 976737635 /nfs/dbraw/zinc/73/76/35/976737635.db2.gz ROJZSGDQKIWTLJ-UHFFFAOYSA-N -1 0 332.425 3.525 20 0 EHADRM CC(C)c1sc(NC(=O)Cc2ccc3c(c2)CCC3)nc1C(=O)[O-] ZINC001592111776 976903381 /nfs/dbraw/zinc/90/33/81/976903381.db2.gz PBNGGOBDQGAYKL-UHFFFAOYSA-N -1 0 344.436 3.635 20 0 EHADRM CC(C)c1scnc1NC(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001592117624 976921686 /nfs/dbraw/zinc/92/16/86/976921686.db2.gz UQEVIVRLPLSAND-LBPRGKRZSA-N -1 0 339.461 3.669 20 0 EHADRM CC(C)c1scnc1C(=O)NC[C@H](C(=O)[O-])C1CCCCCC1 ZINC001592118011 976923034 /nfs/dbraw/zinc/92/30/34/976923034.db2.gz WEMQYSMAMWTCFQ-ZDUSSCGKSA-N -1 0 338.473 3.668 20 0 EHADRM CC(C)n1cc2c(n1)[C@@H](N[C@H](C(=O)[O-])c1ccccc1Cl)CCC2 ZINC001592130737 976960384 /nfs/dbraw/zinc/96/03/84/976960384.db2.gz HTAVSXJJBOJICG-RDJZCZTQSA-N -1 0 347.846 3.910 20 0 EHADRM CC(C)n1ncc2cc(NC(=O)C34CCC(C(=O)[O-])(CC3)C4)ccc21 ZINC001592162957 977046750 /nfs/dbraw/zinc/04/67/50/977046750.db2.gz MKBBBBTZRPNGPR-UHFFFAOYSA-N -1 0 341.411 3.591 20 0 EHADRM CC(C)n1ncc2cc(CNc3cc(C(=O)[O-])c(F)cc3F)cnc21 ZINC001592163124 977049226 /nfs/dbraw/zinc/04/92/26/977049226.db2.gz QLXBKWQCPNHCRB-UHFFFAOYSA-N -1 0 346.337 3.601 20 0 EHADRM C[C@H](/C=C/C(=O)[O-])NC(=O)[C@H](C)Sc1cc(Cl)ccc1Cl ZINC001592195736 977183518 /nfs/dbraw/zinc/18/35/18/977183518.db2.gz XSHFPWLXEIWFRK-CTXMHQRVSA-N -1 0 348.251 3.620 20 0 EHADRM C[C@H](/C=C/C(=O)[O-])NC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC001592205031 977236432 /nfs/dbraw/zinc/23/64/32/977236432.db2.gz NQXHWMSBDGVXDT-XPDZNBDNSA-N -1 0 335.469 3.658 20 0 EHADRM C[C@@H](/C=C\C(=O)[O-])NC(=O)c1ccccc1SCc1cccs1 ZINC001592218161 977290963 /nfs/dbraw/zinc/29/09/63/977290963.db2.gz PEQJJBRFBXANIJ-LAUAKBEESA-N -1 0 347.461 3.800 20 0 EHADRM C[C@H](CC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])c1ccccc1F ZINC001592242479 977461436 /nfs/dbraw/zinc/46/14/36/977461436.db2.gz JFVRTHXFDKMFEI-DYVFJYSZSA-N -1 0 335.419 3.859 20 0 EHADRM C[C@H](CC(=O)NC[C@H](CC1CCCC1)C(=O)[O-])c1cccc(F)c1 ZINC001592254345 977489508 /nfs/dbraw/zinc/48/95/08/977489508.db2.gz FUZJAVLMBAPUSE-CJNGLKHVSA-N -1 0 335.419 3.717 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C)c1ccccc1 ZINC001592261600 977503023 /nfs/dbraw/zinc/50/30/23/977503023.db2.gz FATUHDPLCCXDMQ-ZDUSSCGKSA-N -1 0 326.396 3.583 20 0 EHADRM C[C@@H](CC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)c1cccc(F)c1 ZINC001592262063 977506084 /nfs/dbraw/zinc/50/60/84/977506084.db2.gz NBZQDACFAYGFNO-VIFPVBQESA-N -1 0 337.297 3.934 20 0 EHADRM C[C@H](CC(=O)Nc1cc(CCC(=O)[O-])ccc1O)c1ccccc1F ZINC001592262693 977510139 /nfs/dbraw/zinc/51/01/39/977510139.db2.gz YJVWBGQRWGLHIO-GFCCVEGCSA-N -1 0 345.370 3.681 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)[C@@H](c1ccncc1)C1CCCCC1)C1CC1 ZINC001592277480 977554600 /nfs/dbraw/zinc/55/46/00/977554600.db2.gz CBYFJFQLLZRIRT-UYAOXDASSA-N -1 0 344.455 3.505 20 0 EHADRM CC(C)(CC(=O)N[C@@](C)(CC(=O)[O-])c1ccccn1)C1CCCCC1 ZINC001592280285 977568231 /nfs/dbraw/zinc/56/82/31/977568231.db2.gz DCJBFWOASWMJDX-FQEVSTJZSA-N -1 0 346.471 3.884 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)Nc1ccc(F)cc1C(F)(F)F)C1CC1 ZINC001592297752 977640413 /nfs/dbraw/zinc/64/04/13/977640413.db2.gz NZKXDQDYXBDKJN-AWEZNQCLSA-N -1 0 348.296 3.609 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)Nc1ccnc(-c2ccccc2)c1)C1CC1 ZINC001592298138 977644987 /nfs/dbraw/zinc/64/49/87/977644987.db2.gz VNEPBIYPRORGEI-IBGZPJMESA-N -1 0 339.395 3.514 20 0 EHADRM Cc1oc2ccc(NC(=O)N3C[C@@H]4CCC[C@@H]4[C@H]3C(=O)[O-])cc2c1C ZINC000654798508 1014419598 /nfs/dbraw/zinc/41/95/98/1014419598.db2.gz XTWYUWLWVCUSKL-JDFRZJQESA-N -1 0 342.395 3.767 20 0 EHADRM CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)C[C@@H](C)CC(=O)[O-] ZINC001592371181 977890881 /nfs/dbraw/zinc/89/08/81/977890881.db2.gz OUZJPZJSFBZBTH-GFCCVEGCSA-N -1 0 345.361 3.943 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC001592381985 977922300 /nfs/dbraw/zinc/92/23/00/977922300.db2.gz SPZGHKKELLWDIY-XXFAHNHDSA-N -1 0 327.783 3.547 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1cccc(CSc2ccccn2)c1 ZINC001592394471 977945113 /nfs/dbraw/zinc/94/51/13/977945113.db2.gz GXERAFCIXGPNAY-ZDUSSCGKSA-N -1 0 344.436 3.813 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Oc1ccc(Sc2ccncc2)cc1 ZINC001592401270 977966766 /nfs/dbraw/zinc/96/67/66/977966766.db2.gz JMOPOIFXZBMCIQ-GFCCVEGCSA-N -1 0 331.393 3.639 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Oc1ccc(N2CCCCC2)c(Cl)c1 ZINC001592402542 977969720 /nfs/dbraw/zinc/96/97/20/977969720.db2.gz POPUJGZVYKSXCC-GFCCVEGCSA-N -1 0 339.819 3.737 20 0 EHADRM C[C@@H](OC(=O)C[C@H](C)C(=O)c1cccc(F)c1)c1cc(C(=O)[O-])co1 ZINC001592429616 978056748 /nfs/dbraw/zinc/05/67/48/978056748.db2.gz ODKQQPYGLFBGQB-WDEREUQCSA-N -1 0 348.326 3.630 20 0 EHADRM C[C@H](CC(=O)O[C@H]1CCCC[C@H]1C(=O)[O-])c1c[nH]c2ccccc21 ZINC001592430253 978061725 /nfs/dbraw/zinc/06/17/25/978061725.db2.gz WXJWBDASZWKQAN-MRRJBJDNSA-N -1 0 329.396 3.848 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1ccsc1CC(=O)[O-] ZINC001592451342 978135668 /nfs/dbraw/zinc/13/56/68/978135668.db2.gz BBKSZPHXHCDIKZ-CYBMUJFWSA-N -1 0 345.464 3.861 20 0 EHADRM C[C@@H](CC(F)(F)F)C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001592451937 978141071 /nfs/dbraw/zinc/14/10/71/978141071.db2.gz IDVJZIAJDPGEAP-YFKPBYRVSA-N -1 0 327.661 3.704 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001592454421 978164094 /nfs/dbraw/zinc/16/40/94/978164094.db2.gz WZFPRDRINWQBBC-HBWSCVEGSA-N -1 0 341.407 3.864 20 0 EHADRM C[C@@H](CC1CCCCC1)C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-] ZINC001592466346 978212120 /nfs/dbraw/zinc/21/21/20/978212120.db2.gz WQPDRLXWZPFMPN-YOEHRIQHSA-N -1 0 349.446 3.792 20 0 EHADRM O=C([O-])c1ccc(Nc2cccc(-n3nccn3)c2)cc1C(F)(F)F ZINC001211490218 1014467282 /nfs/dbraw/zinc/46/72/82/1014467282.db2.gz PWISLEDPZMIYHO-UHFFFAOYSA-N -1 0 348.284 3.728 20 0 EHADRM C[C@H](CCC(=O)OCc1ccccc1CC(=O)[O-])c1ccccc1 ZINC001592470200 978218965 /nfs/dbraw/zinc/21/89/65/978218965.db2.gz HTVKFEIQLZGWJV-OAHLLOKOSA-N -1 0 326.392 3.941 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC001592492704 978288317 /nfs/dbraw/zinc/28/83/17/978288317.db2.gz XVFLNKXNKZQFEY-INIZCTEOSA-N -1 0 331.456 3.891 20 0 EHADRM CCC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000736969431 978370117 /nfs/dbraw/zinc/37/01/17/978370117.db2.gz GHFPRZIFPZGJEX-SFHVURJKSA-N -1 0 340.423 3.847 20 0 EHADRM CCN(C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)c1ccccc1C(=O)[O-] ZINC000737051701 978376896 /nfs/dbraw/zinc/37/68/96/978376896.db2.gz BBAJWPGDLYWQKZ-ZFWWWQNUSA-N -1 0 345.345 3.820 20 0 EHADRM Cc1ccc(C[C@@H](C)N(C)C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000738267070 978508963 /nfs/dbraw/zinc/50/89/63/978508963.db2.gz CSNACWXINDGALR-CQSZACIVSA-N -1 0 326.396 3.788 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)c1nc(C(C)(C)C)ns1)C(=O)[O-] ZINC001592610006 978559440 /nfs/dbraw/zinc/55/94/40/978559440.db2.gz ONJQPINJSLRZLG-LBPRGKRZSA-N -1 0 333.457 3.563 20 0 EHADRM Cc1ccc(OC(=O)c2ccc(COC(C)C)cc2)c(C(=O)[O-])c1 ZINC000738640415 978579658 /nfs/dbraw/zinc/57/96/58/978579658.db2.gz ZKCKKQVDWWYNCY-UHFFFAOYSA-N -1 0 328.364 3.837 20 0 EHADRM Cc1nc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)sc1-c1ccccc1 ZINC000738864606 978605919 /nfs/dbraw/zinc/60/59/19/978605919.db2.gz OADLBEFRFLWLHB-UONOGXRCSA-N -1 0 344.436 3.948 20 0 EHADRM C[C@@](CNC(=O)CCC1CCCCCC1)(C(=O)[O-])c1ccccc1 ZINC001592646075 978624664 /nfs/dbraw/zinc/62/46/64/978624664.db2.gz PZDXPZHTVIHZGT-FQEVSTJZSA-N -1 0 331.456 3.896 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@@H](c2cccs2)C2CC2)c(F)c1 ZINC000739466330 978641826 /nfs/dbraw/zinc/64/18/26/978641826.db2.gz BVAXPLGHZSBRDW-CQSZACIVSA-N -1 0 334.372 3.858 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ncc(-c3ccccc3)s2)C1 ZINC000739574469 978646242 /nfs/dbraw/zinc/64/62/42/978646242.db2.gz YXSWHJYUIRCKIB-OLZOCXBDSA-N -1 0 330.409 3.640 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)OCc2cc(Cl)nc(Cl)c2)c1 ZINC000740040326 978664610 /nfs/dbraw/zinc/66/46/10/978664610.db2.gz UKVQDWNARHXAQD-UHFFFAOYSA-N -1 0 341.150 3.835 20 0 EHADRM Cc1ccc2nc(-c3ccccc3)cc(C(=O)NCCCC(=O)[O-])c2c1 ZINC000746338504 978682253 /nfs/dbraw/zinc/68/22/53/978682253.db2.gz XJFJULHPQPZAFL-UHFFFAOYSA-N -1 0 348.402 3.805 20 0 EHADRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)/C=C/c1cccs1 ZINC000746376742 978684801 /nfs/dbraw/zinc/68/48/01/978684801.db2.gz LJOYFORQIMNJMO-BQYQJAHWSA-N -1 0 335.812 3.528 20 0 EHADRM CCOc1ccccc1C(F)(F)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000761707015 978714535 /nfs/dbraw/zinc/71/45/35/978714535.db2.gz LAZWXCSPSNNYNS-UHFFFAOYSA-N -1 0 349.333 3.822 20 0 EHADRM CCOc1ccccc1C(F)(F)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000761746283 978715350 /nfs/dbraw/zinc/71/53/50/978715350.db2.gz QHQFKBMFAWWQMC-UHFFFAOYSA-N -1 0 349.333 3.822 20 0 EHADRM C/C(=C\C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-])c1ccccc1 ZINC000766899358 978728688 /nfs/dbraw/zinc/72/86/88/978728688.db2.gz WYBXZRNFZZXDSP-MAUBAPBLSA-N -1 0 337.419 3.839 20 0 EHADRM Cc1ccc(NC(=O)/C=C\c2nc3ccccc3s2)cc1C(=O)[O-] ZINC000767201250 978736545 /nfs/dbraw/zinc/73/65/45/978736545.db2.gz FLGGSCMUQWYUJQ-HJWRWDBZSA-N -1 0 338.388 3.955 20 0 EHADRM O=C([O-])[C@H]1CCCN1C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1 ZINC000769513274 978741573 /nfs/dbraw/zinc/74/15/73/978741573.db2.gz QUBLYIGQWXJCDS-WKTRQSJXSA-N -1 0 345.395 3.643 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@H](C)Cc1ccc(F)cc1 ZINC000788090846 978796783 /nfs/dbraw/zinc/79/67/83/978796783.db2.gz VJYSMGCWUPPFON-CYBMUJFWSA-N -1 0 329.371 3.958 20 0 EHADRM CC(C)Oc1ccccc1CNC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811820207 978864756 /nfs/dbraw/zinc/86/47/56/978864756.db2.gz RKAMOPKODKYHOT-UHFFFAOYSA-N -1 0 347.798 3.755 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000811821579 978865504 /nfs/dbraw/zinc/86/55/04/978865504.db2.gz JTYPINFHSYFMOX-KBPBESRZSA-N -1 0 339.844 3.538 20 0 EHADRM O=C([O-])c1cn(CC(=O)NC2CCCCCCC2)c2ccccc12 ZINC000818804418 978923530 /nfs/dbraw/zinc/92/35/30/978923530.db2.gz TVXPFPHJSTWMRO-UHFFFAOYSA-N -1 0 328.412 3.569 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(CC(=O)[O-])cc1)[C@@H](C)c1ccccc1 ZINC000827672285 978963348 /nfs/dbraw/zinc/96/33/48/978963348.db2.gz SBYHLQXVXHIPEA-ZIAGYGMSSA-N -1 0 326.396 3.627 20 0 EHADRM C[C@H](c1ccccc1)[C@](C)(O)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000827942201 978967728 /nfs/dbraw/zinc/96/77/28/978967728.db2.gz RDUNRSBEEJOAED-ZMZPIMSZSA-N -1 0 347.798 3.531 20 0 EHADRM C[C@H]1CSc2ccccc2N1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828516812 978984950 /nfs/dbraw/zinc/98/49/50/978984950.db2.gz SDGMBPZNKXQHTN-JTQLQIEISA-N -1 0 331.368 3.665 20 0 EHADRM CCC(CC)[C@@H](NC(=O)N1CCC[C@H]1CC(=O)[O-])c1ccccc1 ZINC000828854838 978989019 /nfs/dbraw/zinc/98/90/19/978989019.db2.gz WLRWGBCOWDKREU-FUHWJXTLSA-N -1 0 332.444 3.813 20 0 EHADRM CCS[C@@H](C)c1noc(CNc2cc(Cl)cc(C(=O)[O-])c2)n1 ZINC000830150434 979014132 /nfs/dbraw/zinc/01/41/32/979014132.db2.gz ONHIHNMICWFRTR-QMMMGPOBSA-N -1 0 341.820 3.847 20 0 EHADRM Cc1cccc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])c1F ZINC000832963865 979061959 /nfs/dbraw/zinc/06/19/59/979061959.db2.gz TVXADDIDUZNSDO-MRXNPFEDSA-N -1 0 329.371 3.716 20 0 EHADRM Cc1occc1C(=O)Nc1c(C)c(Br)ccc1C(=O)[O-] ZINC000833029962 979070547 /nfs/dbraw/zinc/07/05/47/979070547.db2.gz NAFOEFUNDYLUMC-UHFFFAOYSA-N -1 0 338.157 3.609 20 0 EHADRM CC[C@@H](C)n1nc(C(=O)Oc2ccc(SCC(=O)[O-])cc2)cc1C ZINC001595022203 979102470 /nfs/dbraw/zinc/10/24/70/979102470.db2.gz ICALLPDFZJXUEU-LLVKDONJSA-N -1 0 348.424 3.558 20 0 EHADRM CC[C@@H](C)n1nc(NCc2cc(C(=O)[O-])c3n2CCCC3)cc1C ZINC001595023677 979118282 /nfs/dbraw/zinc/11/82/82/979118282.db2.gz KVPJZVRXHFBTCL-GFCCVEGCSA-N -1 0 330.432 3.611 20 0 EHADRM CC[C@@H](CC(=O)N[C@](C)(Cc1ccc(F)cc1)C(=O)[O-])C(C)(C)C ZINC001595033274 979174122 /nfs/dbraw/zinc/17/41/22/979174122.db2.gz HWPXUDUJQRPRPB-IFXJQAMLSA-N -1 0 337.435 3.790 20 0 EHADRM CC[C@H](CC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)c1ccc(OC)cc1 ZINC001595033990 979180167 /nfs/dbraw/zinc/18/01/67/979180167.db2.gz XDMPUDMIUAVCSB-CJNGLKHVSA-N -1 0 335.444 3.585 20 0 EHADRM CCC(CC)(C(=O)Nc1ccc(C(=O)[O-])s1)C(=O)OC(C)(C)C ZINC001595041533 979225773 /nfs/dbraw/zinc/22/57/73/979225773.db2.gz PXQVVJNPLRTFBC-UHFFFAOYSA-N -1 0 341.429 3.533 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)CCOc1ccc(C(C)C)cc1 ZINC001595049468 979273019 /nfs/dbraw/zinc/27/30/19/979273019.db2.gz LBTVOKKDCNCEEB-UHFFFAOYSA-N -1 0 335.444 3.729 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cc(Cl)ccc1OC(C)C ZINC001595053315 979286407 /nfs/dbraw/zinc/28/64/07/979286407.db2.gz GPAIGVSTDANGDB-UHFFFAOYSA-N -1 0 341.835 3.891 20 0 EHADRM O=C([O-])CCCCNC(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000840984272 979287166 /nfs/dbraw/zinc/28/71/66/979287166.db2.gz BRAUEZCFIFKWMI-GOSISDBHSA-N -1 0 332.444 3.862 20 0 EHADRM O=C([O-])c1ccc(CNc2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)cc1 ZINC000840994747 979293600 /nfs/dbraw/zinc/29/36/00/979293600.db2.gz CCMJFMQFAMDWSY-RBUKOAKNSA-N -1 0 341.407 3.679 20 0 EHADRM CCC(CC)(CC)CNC(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC001595057706 979301799 /nfs/dbraw/zinc/30/17/99/979301799.db2.gz FKNDUNGGQYCYQW-UHFFFAOYSA-N -1 0 347.459 3.673 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000841774167 979309307 /nfs/dbraw/zinc/30/93/07/979309307.db2.gz RGWHXNZWXREFFM-GUYCJALGSA-N -1 0 341.382 3.609 20 0 EHADRM Cc1noc(C)c1CN(C)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000846240142 979418521 /nfs/dbraw/zinc/41/85/21/979418521.db2.gz VHWGXPAFNKLOSH-AWEZNQCLSA-N -1 0 343.210 3.856 20 0 EHADRM CCC(CC)[C@@H](CCNC(=O)Nc1ccc(C(=O)[O-])c(C)c1)OC ZINC001595106190 979429478 /nfs/dbraw/zinc/42/94/78/979429478.db2.gz HGOSEDBGRGAHFK-MRXNPFEDSA-N -1 0 336.432 3.656 20 0 EHADRM CCC(CC)CC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001595109938 979449037 /nfs/dbraw/zinc/44/90/37/979449037.db2.gz UQNSRUFHVWDOLG-UHFFFAOYSA-N -1 0 328.206 3.912 20 0 EHADRM CCC(CC)N(C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)c1ccc(C)c(C)c1 ZINC001595114668 979467717 /nfs/dbraw/zinc/46/77/17/979467717.db2.gz XUCTWDXVCJHNIG-ZTFGCOKTSA-N -1 0 347.455 3.703 20 0 EHADRM CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851594063 979504285 /nfs/dbraw/zinc/50/42/85/979504285.db2.gz FPSRNKGTUIAWRN-BPJJOFIESA-N -1 0 331.393 3.589 20 0 EHADRM CCC(CC)n1nc(-c2nc(-c3cccc(C(=O)[O-])c3)no2)cc1C ZINC001595124869 979506421 /nfs/dbraw/zinc/50/64/21/979506421.db2.gz SLIYQBUKUKLSOU-UHFFFAOYSA-N -1 0 340.383 3.968 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)o1 ZINC000851594875 979506907 /nfs/dbraw/zinc/50/69/07/979506907.db2.gz MHQGSYQLKNXEBS-XLNAKTSKSA-N -1 0 337.375 3.670 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N(Cc2ccc(F)cc2)CC2CC2)o1 ZINC000851595278 979507991 /nfs/dbraw/zinc/50/79/91/979507991.db2.gz NXCFIBLXCWXGFF-CSKARUKUSA-N -1 0 343.354 3.569 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C1CCC2(CC2)CC1)c1cccc(Cl)c1 ZINC000851602504 979523331 /nfs/dbraw/zinc/52/33/31/979523331.db2.gz VRBGMAMZUYEADX-HNNXBMFYSA-N -1 0 335.831 3.942 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851603207 979525285 /nfs/dbraw/zinc/52/52/85/979525285.db2.gz LMGDJTIZQHJUSV-OBBGCOQJSA-N -1 0 343.354 3.665 20 0 EHADRM CC[C@H](CCc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001595129645 979535726 /nfs/dbraw/zinc/53/57/26/979535726.db2.gz NBRLJVZYFZKFSC-MRXNPFEDSA-N -1 0 326.396 3.918 20 0 EHADRM C[C@@H](CSCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)C(=O)[O-] ZINC001592830435 979554668 /nfs/dbraw/zinc/55/46/68/979554668.db2.gz UMNZGULBAMWMQX-QMMMGPOBSA-N -1 0 346.239 3.528 20 0 EHADRM C[C@@H](CSc1ccccc1)N(C)C(=O)c1ccc(C(=O)[O-])cc1 ZINC001592831512 979557730 /nfs/dbraw/zinc/55/77/30/979557730.db2.gz CBMZTXFZOZTXKI-ZDUSSCGKSA-N -1 0 329.421 3.638 20 0 EHADRM CC[C@@](CNC(=O)CCC1CCCCC1)(C(=O)[O-])c1ccccc1 ZINC001595140897 979603266 /nfs/dbraw/zinc/60/32/66/979603266.db2.gz VZHACUWPVDOHPS-FQEVSTJZSA-N -1 0 331.456 3.896 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)OC1CC(CC(=O)[O-])C1 ZINC001592840384 979606084 /nfs/dbraw/zinc/60/60/84/979606084.db2.gz ZCNJFCYFYXRAGF-TTXORMCVSA-N -1 0 345.222 3.969 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001592853262 979643346 /nfs/dbraw/zinc/64/33/46/979643346.db2.gz FMNIWXKFPTYQIF-DJJJIMSYSA-N -1 0 335.419 3.544 20 0 EHADRM CC[C@H](CNC(=O)[C@@H]1CCCC[C@H]1c1cccc(Cl)c1)C(=O)[O-] ZINC001595155064 979663177 /nfs/dbraw/zinc/66/31/77/979663177.db2.gz VHEJKPLMGUWBOF-UHOFOFEASA-N -1 0 337.847 3.841 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)Cc2cncc3ccccc32)cc1)C(=O)[O-] ZINC001592858168 979669933 /nfs/dbraw/zinc/66/99/33/979669933.db2.gz DIVHNVUZISWJCE-AWEZNQCLSA-N -1 0 348.402 3.679 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N(C)[C@H]2CCC(C)(C)C2)cc1)C(=O)[O-] ZINC001592859881 979685352 /nfs/dbraw/zinc/68/53/52/979685352.db2.gz ZMUTYEPJOKOACD-CJNGLKHVSA-N -1 0 332.444 3.992 20 0 EHADRM CC(C)Oc1ccc([C@H](C)NC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC000864107044 979694803 /nfs/dbraw/zinc/69/48/03/979694803.db2.gz ZWWKRKFZRNRPEA-STRFDMGBSA-N -1 0 343.379 3.656 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@@H](C)C2)cc1C(=O)[O-] ZINC000864113907 979705795 /nfs/dbraw/zinc/70/57/95/979705795.db2.gz WZSPWGGAHCMKDR-YJBOKZPZSA-N -1 0 337.419 3.959 20 0 EHADRM COc1cc(C)cc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1C ZINC000864120615 979716440 /nfs/dbraw/zinc/71/64/40/979716440.db2.gz ZJRMJRUJYBYELI-KDOFPFPSSA-N -1 0 341.407 3.504 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)NC2(C)C(C)(C)C2(C)C)cc1)C(=O)[O-] ZINC001592868395 979719782 /nfs/dbraw/zinc/71/97/82/979719782.db2.gz YINDMMXRFWHPAP-GFCCVEGCSA-N -1 0 332.444 3.896 20 0 EHADRM CN(C(=O)/C=C/c1ccc(C(=O)[O-])o1)[C@H]1CCCc2ccccc21 ZINC000864125275 979725128 /nfs/dbraw/zinc/72/51/28/979725128.db2.gz QUEBDVQVXJOCGW-TYZQSYOASA-N -1 0 325.364 3.527 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)/C=C\c1csc(C(F)(F)F)c1 ZINC000864126012 979726068 /nfs/dbraw/zinc/72/60/68/979726068.db2.gz CRZHRIYVHFOHKV-WAYWQWQTSA-N -1 0 349.374 3.930 20 0 EHADRM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000864140655 979745333 /nfs/dbraw/zinc/74/53/33/979745333.db2.gz CGSMRMDIQHAPDZ-WYIQVNFWSA-N -1 0 337.419 3.764 20 0 EHADRM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000864140653 979745582 /nfs/dbraw/zinc/74/55/82/979745582.db2.gz CGSMRMDIQHAPDZ-QUVDLZNZSA-N -1 0 337.419 3.764 20 0 EHADRM C[C@@H](Cc1ccc(NCCC(=O)Nc2cccc(F)c2)cc1)C(=O)[O-] ZINC001592878231 979749288 /nfs/dbraw/zinc/74/92/88/979749288.db2.gz XYEUHMACNKYUST-ZDUSSCGKSA-N -1 0 344.386 3.530 20 0 EHADRM CC[C@](CNc1ncncc1-c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC001595175799 979761617 /nfs/dbraw/zinc/76/16/17/979761617.db2.gz FWEMZYFTGVRCOJ-OAQYLSRUSA-N -1 0 347.418 3.988 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)/C=C/c3cc(C(=O)[O-])co3)C2)cc1 ZINC000864157249 979769252 /nfs/dbraw/zinc/76/92/52/979769252.db2.gz ITOPDVLBDYACLF-XIHNBGGYSA-N -1 0 339.391 3.704 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC001592891058 979781661 /nfs/dbraw/zinc/78/16/61/979781661.db2.gz LWXUKXROGRGJLY-MEDUHNTESA-N -1 0 349.789 3.600 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001592891443 979783410 /nfs/dbraw/zinc/78/34/10/979783410.db2.gz PHGXPXZMENDRSQ-NSHDSACASA-N -1 0 349.789 3.924 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC001592891578 979784123 /nfs/dbraw/zinc/78/41/23/979784123.db2.gz QPQCKWQGASGGLS-AWEZNQCLSA-N -1 0 345.826 3.632 20 0 EHADRM C[C@H](Cc1ccccc1)NC(=S)Nc1cccc(C(=O)[O-])c1Cl ZINC001592892087 979789033 /nfs/dbraw/zinc/78/90/33/979789033.db2.gz RZDLZUBLKBBVTO-LLVKDONJSA-N -1 0 348.855 3.956 20 0 EHADRM O=C([O-])C1=CC[C@@H](NC(=O)c2cc(Cl)ccc2OC2CCCC2)C1 ZINC000864166068 979790456 /nfs/dbraw/zinc/79/04/56/979790456.db2.gz SNGXMGZCOLIWOI-CYBMUJFWSA-N -1 0 349.814 3.565 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC001592892286 979791228 /nfs/dbraw/zinc/79/12/28/979791228.db2.gz ZFNSVKWUHWSGBN-GFCCVEGCSA-N -1 0 343.810 3.806 20 0 EHADRM CC(C)C[C@@H](C(=O)N[C@@H]1CC=C(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000864167091 979792707 /nfs/dbraw/zinc/79/27/07/979792707.db2.gz BLDZZKNTWUKQLX-HZPDHXFCSA-N -1 0 335.831 3.759 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001592896269 979795672 /nfs/dbraw/zinc/79/56/72/979795672.db2.gz KFZNVMBXRVEQSF-JTQLQIEISA-N -1 0 336.746 3.962 20 0 EHADRM C[C@H](Cc1ccco1)C(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)F ZINC001592899203 979813518 /nfs/dbraw/zinc/81/35/18/979813518.db2.gz DNSASFZMSUXWJT-YGRLFVJLSA-N -1 0 338.306 3.706 20 0 EHADRM CC(C)(C)c1ccc(CNC(=O)c2cc(C(=O)[O-])ccc2Cl)o1 ZINC000864216680 979904604 /nfs/dbraw/zinc/90/46/04/979904604.db2.gz KPSVRTSUKLHTGJ-UHFFFAOYSA-N -1 0 335.787 3.859 20 0 EHADRM CC[C@@H](CSc1ccccc1)NC(=O)c1ccc(C(=O)[O-])cc1F ZINC001595203685 979967406 /nfs/dbraw/zinc/96/74/06/979967406.db2.gz RQCIEQIWZJQKME-ZDUSSCGKSA-N -1 0 347.411 3.825 20 0 EHADRM CC[C@@H](CSC)NC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001595204104 979972902 /nfs/dbraw/zinc/97/29/02/979972902.db2.gz ZTJRPKVTUSKTOP-JTQLQIEISA-N -1 0 338.454 3.863 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001595210069 979982499 /nfs/dbraw/zinc/98/24/99/979982499.db2.gz BBXJCGSXVHLKOI-HNNXBMFYSA-N -1 0 341.407 3.909 20 0 EHADRM COc1ccc([C@H](NCc2cnc(C3CCCC3)s2)C(=O)[O-])cc1 ZINC000871883312 979982856 /nfs/dbraw/zinc/98/28/56/979982856.db2.gz JGIPKAVSQAOPGV-INIZCTEOSA-N -1 0 346.452 3.725 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001595210117 979983350 /nfs/dbraw/zinc/98/33/50/979983350.db2.gz CKQKCQJAHNAZAO-QGZVFWFLSA-N -1 0 331.456 3.858 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N(CC1CC1)[C@](C)(CC)C(=O)[O-] ZINC001595210695 979985217 /nfs/dbraw/zinc/98/52/17/979985217.db2.gz JJEHMMMYYKOBTQ-YLJYHZDGSA-N -1 0 331.456 3.747 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)Nc1cccc(C(=O)[O-])c1OC ZINC001595211330 979990729 /nfs/dbraw/zinc/99/07/29/979990729.db2.gz SHNMQDRSGKHGCC-HNNXBMFYSA-N -1 0 341.407 3.909 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC001595212242 979997733 /nfs/dbraw/zinc/99/77/33/979997733.db2.gz YPLKOADUHSVKEZ-MJGOQNOKSA-N -1 0 339.435 3.548 20 0 EHADRM CC[C@H](Cc1ccccc1)N(CC)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001595213378 980006338 /nfs/dbraw/zinc/00/63/38/980006338.db2.gz QBTCEBFIUZKTPI-LJQANCHMSA-N -1 0 339.435 3.797 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001595219275 980037452 /nfs/dbraw/zinc/03/74/52/980037452.db2.gz NJYIUSQGCLRZKS-INIZCTEOSA-N -1 0 325.408 3.578 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)N(CC(C)C)C(C)(C)C(=O)[O-] ZINC001595219283 980037775 /nfs/dbraw/zinc/03/77/75/980037775.db2.gz NKGWOIYHBYYMGZ-MRXNPFEDSA-N -1 0 333.472 3.912 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC001595219691 980041334 /nfs/dbraw/zinc/04/13/34/980041334.db2.gz QCVMJPIWLIWEJM-INIZCTEOSA-N -1 0 331.456 3.858 20 0 EHADRM CCc1ccc([C@H]2CN(Cc3ccc(C)c(C(=O)[O-])c3)CCO2)cc1 ZINC000872159130 980042098 /nfs/dbraw/zinc/04/20/98/980042098.db2.gz ODEDRTMOKZSHHI-HXUWFJFHSA-N -1 0 339.435 3.829 20 0 EHADRM CCC(F)(F)c1ccccc1NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001595226922 980079506 /nfs/dbraw/zinc/07/95/06/980079506.db2.gz YPOPKINAXONHIO-WCQYABFASA-N -1 0 340.370 3.953 20 0 EHADRM CC[C@](NC(=O)/C=C1/CC[C@H](C)C1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595237407 980144960 /nfs/dbraw/zinc/14/49/60/980144960.db2.gz GCFGSRMOLNCQGX-JRSJBJMTSA-N -1 0 335.831 3.893 20 0 EHADRM CC[C@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1cccc(Cl)c1 ZINC001595237440 980145824 /nfs/dbraw/zinc/14/58/24/980145824.db2.gz HLPZPYZAKOCEGB-KGXGESDWSA-N -1 0 333.771 3.912 20 0 EHADRM CC[C@](NC(=O)C/C=C\Cc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC001595238132 980153228 /nfs/dbraw/zinc/15/32/28/980153228.db2.gz BXIKYIOMTKRNPY-VFCOFNOGSA-N -1 0 337.419 3.682 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1CCC(c3ccccc3)CC1)CC2 ZINC000872766416 980153952 /nfs/dbraw/zinc/15/39/52/980153952.db2.gz FKSFXIZVICJTMZ-PKZBPHAMSA-N -1 0 341.451 3.816 20 0 EHADRM CC[C@](NC(=O)C[C@@H]1C[C@H]1C1CC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595243068 980171234 /nfs/dbraw/zinc/17/12/34/980171234.db2.gz RQSHVNHGESEOPC-XLWVJDPXSA-N -1 0 335.831 3.582 20 0 EHADRM CC[C@@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1cc(C)ccc1C ZINC001595247607 980192506 /nfs/dbraw/zinc/19/25/06/980192506.db2.gz QKAGKEUMJVIKQR-ZMSDIMECSA-N -1 0 332.444 3.507 20 0 EHADRM CC[C@H](NC(=O)Nc1cc(C(=O)[O-])sc1C)c1nc(C)cs1 ZINC001595256368 980236726 /nfs/dbraw/zinc/23/67/26/980236726.db2.gz BGIHSTAFBPVFDZ-VIFPVBQESA-N -1 0 339.442 3.792 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc(OC)cc1 ZINC001595256901 980241472 /nfs/dbraw/zinc/24/14/72/980241472.db2.gz KHRRZPFBUTWGJN-INIZCTEOSA-N -1 0 328.368 3.666 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1C)c1ccc(OC)cc1 ZINC001595257627 980247528 /nfs/dbraw/zinc/24/75/28/980247528.db2.gz SGYGPHLQJXMAEZ-INIZCTEOSA-N -1 0 342.395 3.975 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1C)c1ccc(OC)cc1 ZINC001595257629 980247666 /nfs/dbraw/zinc/24/76/66/980247666.db2.gz SGYGPHLQJXMAEZ-MRXNPFEDSA-N -1 0 342.395 3.975 20 0 EHADRM CC[C@](NC(=O)OCc1ccc(Cl)cc1)(C(=O)[O-])c1ccccc1 ZINC001595258619 980256841 /nfs/dbraw/zinc/25/68/41/980256841.db2.gz VLGNNMNRGYFAEQ-GOSISDBHSA-N -1 0 347.798 3.956 20 0 EHADRM CCN(Cc1ccc(C(=O)[O-])c(Br)c1)CC(F)(F)F ZINC000901422104 980267895 /nfs/dbraw/zinc/26/78/95/980267895.db2.gz MMMFPKLWXWURPG-UHFFFAOYSA-N -1 0 340.139 3.532 20 0 EHADRM C[C@H](NC(=O)CCC[Si](C)(C)C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593019375 980270195 /nfs/dbraw/zinc/27/01/95/980270195.db2.gz RPWCLVOODWEUKK-GOEBONIOSA-N -1 0 335.520 3.553 20 0 EHADRM CCC[C@H]1CN(Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CCO1 ZINC000901434831 980282366 /nfs/dbraw/zinc/28/23/66/980282366.db2.gz YVSDJEHAVSZPBB-INIZCTEOSA-N -1 0 329.396 3.646 20 0 EHADRM CC[C@H](NC(=O)c1cccc(CC(=O)[O-])c1)c1cccc(Cl)c1 ZINC001595270163 980285191 /nfs/dbraw/zinc/28/51/91/980285191.db2.gz AKHUBRIAYKDFJN-INIZCTEOSA-N -1 0 331.799 3.848 20 0 EHADRM Cc1cnc(CN[C@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])s1 ZINC000901849457 980574845 /nfs/dbraw/zinc/57/48/45/980574845.db2.gz WBHIYRTZGPDZJI-GOEBONIOSA-N -1 0 330.453 3.505 20 0 EHADRM CC[C@H](OC(=O)c1ccc(Oc2ccccc2)cn1)[C@@H](C)C(=O)[O-] ZINC001595351759 980660766 /nfs/dbraw/zinc/66/07/66/980660766.db2.gz LGSSXUSMTINBPW-WBMJQRKESA-N -1 0 329.352 3.530 20 0 EHADRM CC[C@@H](OC(=O)c1cccc(C(=O)[O-])c1)c1cc(OC)cc(OC)c1 ZINC001595351893 980662311 /nfs/dbraw/zinc/66/23/11/980662311.db2.gz NVGDMGKFDOOSQD-QGZVFWFLSA-N -1 0 344.363 3.710 20 0 EHADRM CC[C@@H](OC(=O)c1oc(C(=O)[O-])cc1C)c1cc(C)ccc1OC ZINC001595353359 980680840 /nfs/dbraw/zinc/68/08/40/980680840.db2.gz BPMAMXRJLHKRHN-CYBMUJFWSA-N -1 0 332.352 3.911 20 0 EHADRM C[C@@H]1CCN(Cc2cnc(CCc3ccccc3)s2)[C@H](C(=O)[O-])C1 ZINC000902011544 980690592 /nfs/dbraw/zinc/69/05/92/980690592.db2.gz KPZOHUYYZFTAOI-PBHICJAKSA-N -1 0 344.480 3.613 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)c2sccc2C(F)F)c2ccccc21 ZINC000902016472 980693314 /nfs/dbraw/zinc/69/33/14/980693314.db2.gz LCOJVKBYWAKLNW-NEPJUHHUSA-N -1 0 337.347 3.729 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)N1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC001595356366 980711417 /nfs/dbraw/zinc/71/14/17/980711417.db2.gz CLQAHLGGKAOHFF-PVAVHDDUSA-N -1 0 347.455 3.679 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC001595356362 980711549 /nfs/dbraw/zinc/71/15/49/980711549.db2.gz CGXOGYBOZCVLFK-OAHLLOKOSA-N -1 0 331.343 3.628 20 0 EHADRM CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001595357599 980724055 /nfs/dbraw/zinc/72/40/55/980724055.db2.gz GUTZWDAWIBYKSG-CQSZACIVSA-N -1 0 349.333 3.768 20 0 EHADRM CNC(=O)c1cccc(N[C@@H]2CCC[C@H](CCCC(=O)[O-])C2)c1C ZINC000902104169 980735661 /nfs/dbraw/zinc/73/56/61/980735661.db2.gz JDENIMNBGUTXOK-HUUCEWRRSA-N -1 0 332.444 3.580 20 0 EHADRM CC[C@@H](NCc1cc(C(=O)[O-])co1)c1ccccc1OC(F)F ZINC000902120353 980744025 /nfs/dbraw/zinc/74/40/25/980744025.db2.gz SAEPZWZLEBEGGA-CYBMUJFWSA-N -1 0 325.311 3.820 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1cn2cccc(C)c2n1 ZINC001595362586 980772524 /nfs/dbraw/zinc/77/25/24/980772524.db2.gz KRYIXVBVPWXDOA-GOSISDBHSA-N -1 0 337.423 3.681 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC)C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1 ZINC001595364591 980795339 /nfs/dbraw/zinc/79/53/39/980795339.db2.gz SVDXRCSBNXFLDX-UAGQMJEPSA-N -1 0 332.444 3.813 20 0 EHADRM CC[C@@H](c1ccccc1OC)N(C)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC001595364647 980796081 /nfs/dbraw/zinc/79/60/81/980796081.db2.gz ZHUOKCJMQDCYBL-AWEZNQCLSA-N -1 0 345.399 3.645 20 0 EHADRM CC[C@@H](c1nnc(NC(=O)C[C@H](C)CC(=O)[O-])s1)c1ccccc1 ZINC001595364648 980796196 /nfs/dbraw/zinc/79/61/96/980796196.db2.gz UOPSDUVJMXQGHP-WCQYABFASA-N -1 0 347.440 3.519 20 0 EHADRM CCC1(C(=O)Oc2ccc(C(=O)[O-])cc2OC)CCC(F)(F)CC1 ZINC001595368465 980827191 /nfs/dbraw/zinc/82/71/91/980827191.db2.gz CZVXWRJBFRDJGD-UHFFFAOYSA-N -1 0 342.338 3.905 20 0 EHADRM CCOc1ccccc1[C@@H](CC(C)C)NCc1cc(C(=O)[O-])no1 ZINC000902349514 980845029 /nfs/dbraw/zinc/84/50/29/980845029.db2.gz DZFLKMZPGFFTTK-OAHLLOKOSA-N -1 0 332.400 3.649 20 0 EHADRM Cc1cc(CNC(C)(C)c2nc3ccccc3s2)oc1C(=O)[O-] ZINC000902360933 980852184 /nfs/dbraw/zinc/85/21/84/980852184.db2.gz YBPIPYXVHVAVEH-UHFFFAOYSA-N -1 0 330.409 3.921 20 0 EHADRM COCCOc1c(Cl)cc(N[C@H](C)[C@@H]2C[C@H]2C(=O)[O-])cc1Cl ZINC000902380004 980862761 /nfs/dbraw/zinc/86/27/61/980862761.db2.gz FYRXANQFDBQOBI-DVVUODLYSA-N -1 0 348.226 3.540 20 0 EHADRM CCC1(CC)Oc2ccc(NCc3cc(C(=O)[O-])c(C)n3C)cc2O1 ZINC001595376695 980907658 /nfs/dbraw/zinc/90/76/58/980907658.db2.gz IVTHVDGISPBZQG-UHFFFAOYSA-N -1 0 344.411 3.931 20 0 EHADRM CSc1ccc(N[C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1C(=O)[O-] ZINC000902571273 980938806 /nfs/dbraw/zinc/93/88/06/980938806.db2.gz VRXPWZJQNMMGDS-RCBQFDQVSA-N -1 0 333.453 3.866 20 0 EHADRM Cc1nc(-c2ccc(C(=O)NC3(CC(=O)[O-])CCCC3)cc2)cs1 ZINC000902769414 980944135 /nfs/dbraw/zinc/94/41/35/980944135.db2.gz XKHIVMBXSKKDJV-UHFFFAOYSA-N -1 0 344.436 3.636 20 0 EHADRM CCC1(c2ccccc2)CN(C(=O)Nc2cccc(F)c2C(=O)[O-])C1 ZINC001595397388 980965275 /nfs/dbraw/zinc/96/52/75/980965275.db2.gz MOMTYFCSOZBEPC-UHFFFAOYSA-N -1 0 342.370 3.719 20 0 EHADRM CCC1=C(C(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)CCCO1 ZINC001595399662 980972730 /nfs/dbraw/zinc/97/27/30/980972730.db2.gz VXMNNVBDLXBJEQ-OAHLLOKOSA-N -1 0 337.460 3.781 20 0 EHADRM CC[C@H]1[C@H](C)CCN1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001595404931 980984201 /nfs/dbraw/zinc/98/42/01/980984201.db2.gz NCOLXJFKBXIYQV-CJNGLKHVSA-N -1 0 345.443 3.637 20 0 EHADRM CC[C@@H]1C[C@@H](CNc2ccc(N3CCCCC3)c(C(=O)[O-])c2)CCO1 ZINC001595412257 981009724 /nfs/dbraw/zinc/00/97/24/981009724.db2.gz BISRZYKGELNHIB-DOTOQJQBSA-N -1 0 346.471 3.992 20 0 EHADRM CC[N@H+](Cc1cc(C(=O)[O-])ccc1Br)C1CCCC1 ZINC000903886549 981020458 /nfs/dbraw/zinc/02/04/58/981020458.db2.gz GRCOIWKVQGQECV-UHFFFAOYSA-N -1 0 326.234 3.912 20 0 EHADRM CCC1CCC(NC(=O)CC[C@@H]2CC2(Cl)Cl)(C(=O)[O-])CC1 ZINC001595420731 981037868 /nfs/dbraw/zinc/03/78/68/981037868.db2.gz GLKFRKRMSFCMQJ-IQLKVPPVSA-N -1 0 336.259 3.500 20 0 EHADRM CCC1CCC(NC(=O)c2cc3c(cccc3C)o2)(C(=O)[O-])CC1 ZINC001595425148 981044474 /nfs/dbraw/zinc/04/44/74/981044474.db2.gz YSYVHNJCXBFUSG-UHFFFAOYSA-N -1 0 329.396 3.895 20 0 EHADRM CCC1CCC(NC(=O)c2csc(C(F)(F)F)c2)(C(=O)[O-])CC1 ZINC001595425215 981045216 /nfs/dbraw/zinc/04/52/16/981045216.db2.gz IQVRDYOPKQGUGU-UHFFFAOYSA-N -1 0 349.374 3.920 20 0 EHADRM CC[C@@H]1CCC[C@@H]1C(=O)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001595435722 981066383 /nfs/dbraw/zinc/06/63/83/981066383.db2.gz MAIAKWQECITUHG-DDTOSNHZSA-N -1 0 343.345 3.774 20 0 EHADRM CC[C@H]1CCCC[C@H]1CNC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001595440446 981077105 /nfs/dbraw/zinc/07/71/05/981077105.db2.gz KFLPKWNJRTZTPN-RDJZCZTQSA-N -1 0 332.444 3.743 20 0 EHADRM CC[C@@H](CNC(=O)Nc1cccc(-c2ccccc2OC)c1)C(=O)[O-] ZINC000905054434 981087556 /nfs/dbraw/zinc/08/75/56/981087556.db2.gz NKFPCFJOORNOKT-ZDUSSCGKSA-N -1 0 342.395 3.595 20 0 EHADRM CC[C@@H]1CCC[C@H]1NC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001595459240 981137015 /nfs/dbraw/zinc/13/70/15/981137015.db2.gz XYUGOTSXRQCHTR-MLGOLLRUSA-N -1 0 344.411 3.551 20 0 EHADRM CC(C)(C)n1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000654977499 1014709742 /nfs/dbraw/zinc/70/97/42/1014709742.db2.gz ZXCFIXSUMQPEOU-UHFFFAOYSA-N -1 0 328.199 3.903 20 0 EHADRM COc1c(NC(=O)[C@H](C)CCc2ccc(F)cc2)cccc1C(=O)[O-] ZINC000906499997 981170092 /nfs/dbraw/zinc/17/00/92/981170092.db2.gz ISWDDFBDOMSCBI-GFCCVEGCSA-N -1 0 345.370 3.740 20 0 EHADRM CC[C@H]1CN(C(=O)CC2(CC(=O)[O-])CCCC2)c2ccccc2O1 ZINC001595470848 981170932 /nfs/dbraw/zinc/17/09/32/981170932.db2.gz DOCPVTKZLKAXSY-AWEZNQCLSA-N -1 0 331.412 3.616 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)c1 ZINC000907590363 981198161 /nfs/dbraw/zinc/19/81/61/981198161.db2.gz XSVGHIFPZCYSRF-NOAKMGFQSA-N -1 0 345.464 3.625 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc(C2CC2)oc1C1CC1)c1ccccc1F ZINC000907609044 981199498 /nfs/dbraw/zinc/19/94/98/981199498.db2.gz NLNOJCJCLBTMMZ-INIZCTEOSA-N -1 0 343.354 3.729 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2ccccc2C2CCC2)C1 ZINC000907629758 981201917 /nfs/dbraw/zinc/20/19/17/981201917.db2.gz SSMBUFSMASUJOI-OAHLLOKOSA-N -1 0 329.440 3.917 20 0 EHADRM CC[C@@H]1Cc2ccccc2CN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001595499494 981264465 /nfs/dbraw/zinc/26/44/65/981264465.db2.gz KDMYZBUZRMQHEJ-OAHLLOKOSA-N -1 0 342.370 3.893 20 0 EHADRM COc1c(NC(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)cccc1C(=O)[O-] ZINC000908506169 981319185 /nfs/dbraw/zinc/31/91/85/981319185.db2.gz AAUQZWIUAJKXNA-FZMZJTMJSA-N -1 0 343.379 3.681 20 0 EHADRM CC/C=C/[C@@H](OC(=O)c1csc(-c2ccccc2C)n1)C(=O)[O-] ZINC001595515211 981322000 /nfs/dbraw/zinc/32/20/00/981322000.db2.gz QFAHBYDURUOJPG-CEOUIICOSA-N -1 0 331.393 3.695 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1Cl ZINC000908652887 981334257 /nfs/dbraw/zinc/33/42/57/981334257.db2.gz BORAUAZMPUSUJU-AWEZNQCLSA-N -1 0 349.858 3.964 20 0 EHADRM O=C([O-])C12CCC(C(=O)N(Cc3ccc(F)cc3)CC3CC3)(CC1)C2 ZINC000908808414 981366635 /nfs/dbraw/zinc/36/66/35/981366635.db2.gz FQDVNQZGTNCVCJ-UHFFFAOYSA-N -1 0 345.414 3.599 20 0 EHADRM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)C23CCC(C(=O)[O-])(CC2)C3)C1 ZINC000908820379 981368210 /nfs/dbraw/zinc/36/82/10/981368210.db2.gz MHJLQIBHEYLWGK-RKAKKKFESA-N -1 0 341.451 3.735 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N[C@H](C)c1ccccc1C(F)(F)F ZINC000908825258 981368694 /nfs/dbraw/zinc/36/86/94/981368694.db2.gz NTMHAGTZIDUHMX-SECBINFHSA-N -1 0 341.285 3.796 20 0 EHADRM CCC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC001595532434 981371646 /nfs/dbraw/zinc/37/16/46/981371646.db2.gz JNYUJXZGMVVHCQ-KCXAZCMYSA-N -1 0 337.847 3.935 20 0 EHADRM CCC[C@H](C(=O)Nc1cc(C(=O)[O-])c[nH]c1=O)c1cccc(Cl)c1 ZINC001595538874 981394828 /nfs/dbraw/zinc/39/48/28/981394828.db2.gz WZHLJVKEPYCXLZ-ZDUSSCGKSA-N -1 0 348.786 3.661 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)C2=CCCCC2)c2ccccc12 ZINC000909072985 981413758 /nfs/dbraw/zinc/41/37/58/981413758.db2.gz DCFYLFZSUWQPIJ-UHFFFAOYSA-N -1 0 325.364 3.742 20 0 EHADRM CCC[C@](C)(NC(=O)c1cc2c(ccc3ccccc23)o1)C(=O)[O-] ZINC001595553037 981426327 /nfs/dbraw/zinc/42/63/27/981426327.db2.gz KKGKMUJKWBGYCK-IBGZPJMESA-N -1 0 325.364 3.959 20 0 EHADRM CCC[C@](C)(NC(=O)c1cc(F)cc(C(=O)[O-])c1)c1ccccc1 ZINC001595554115 981434615 /nfs/dbraw/zinc/43/46/15/981434615.db2.gz ZYECJYKSFFQQHE-IBGZPJMESA-N -1 0 329.371 3.969 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)[C@H]2CCOC3(CCCC3)C2)c1 ZINC000909271425 981455771 /nfs/dbraw/zinc/45/57/71/981455771.db2.gz FKODJRBZUWLSSM-NSHDSACASA-N -1 0 337.803 3.716 20 0 EHADRM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1ccoc1CC(=O)[O-] ZINC000909412758 981488085 /nfs/dbraw/zinc/48/80/85/981488085.db2.gz KNVBLBLZYSKMSI-VXGBXAGGSA-N -1 0 349.814 3.824 20 0 EHADRM Cc1ccc2sc(C(=O)N3CCC(CCC(=O)[O-])CC3)cc2c1 ZINC000909436800 981492671 /nfs/dbraw/zinc/49/26/71/981492671.db2.gz BJTUNQBQMYFGBP-UHFFFAOYSA-N -1 0 331.437 3.927 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)CCCc2ccccc2Cl)CC1 ZINC000909439021 981493323 /nfs/dbraw/zinc/49/33/23/981493323.db2.gz XRFSMMAPTABTRA-UHFFFAOYSA-N -1 0 337.847 3.766 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)C1 ZINC000909490197 981508042 /nfs/dbraw/zinc/50/80/42/981508042.db2.gz INZCLHDSFBGEJM-YLFCFFPRSA-N -1 0 335.488 3.942 20 0 EHADRM Cc1ccc2cc(C(=O)N3CCC[C@H](C(C)(C)C(=O)[O-])C3)ccc2n1 ZINC000909495780 981511599 /nfs/dbraw/zinc/51/15/99/981511599.db2.gz VGZFFFLHWVVFJP-INIZCTEOSA-N -1 0 340.423 3.506 20 0 EHADRM CCCC(CCC)C(=O)N[C@@](C)(CC(=O)[O-])c1cccc(OC)c1 ZINC001595586851 981536751 /nfs/dbraw/zinc/53/67/51/981536751.db2.gz RUPIRCDFURFFPH-IBGZPJMESA-N -1 0 335.444 3.718 20 0 EHADRM CCOc1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c(C)c1 ZINC000909576620 981546322 /nfs/dbraw/zinc/54/63/22/981546322.db2.gz HABKFPZCOAKLFW-UHFFFAOYSA-N -1 0 331.412 3.757 20 0 EHADRM CCC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001595593486 981557238 /nfs/dbraw/zinc/55/72/38/981557238.db2.gz AYTVWIXZENGLHI-KRWDZBQOSA-N -1 0 326.396 3.918 20 0 EHADRM CCC[C@@H](NC(=O)N1CCc2ccc(C(=O)[O-])cc2C1)C(C)(C)C ZINC001595597744 981565382 /nfs/dbraw/zinc/56/53/82/981565382.db2.gz BPKKSSVCXLTOHN-MRXNPFEDSA-N -1 0 332.444 3.667 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)CCc2ccc(N(C)C)cc2)c1 ZINC000909833737 981651574 /nfs/dbraw/zinc/65/15/74/981651574.db2.gz JPFMOCZURMWHBB-CQSZACIVSA-N -1 0 340.423 3.512 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N[C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC001594750001 981653069 /nfs/dbraw/zinc/65/30/69/981653069.db2.gz ZDVXCVAKSNVKPR-HOTGVXAUSA-N -1 0 349.789 3.796 20 0 EHADRM C[C@@H](C(=O)N1CCC[C@](C)(C(=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC000909839600 981660203 /nfs/dbraw/zinc/66/02/03/981660203.db2.gz IKBNWRLIEXQZAJ-BZNIZROVSA-N -1 0 343.345 3.522 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)c(Cl)c1 ZINC000909863777 981688997 /nfs/dbraw/zinc/68/89/97/981688997.db2.gz WKHDRCBOIZXJTI-LJQANCHMSA-N -1 0 343.810 3.517 20 0 EHADRM CCC[C@H]1C[C@H](C(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)CCO1 ZINC001595620541 981690753 /nfs/dbraw/zinc/69/07/53/981690753.db2.gz LJYWMLRKDBOSAK-MNOVXSKESA-N -1 0 326.776 3.539 20 0 EHADRM O=C([O-])Cc1c2ccccc2[nH]c1C(=O)N1CCCC[C@H]1C1CCC1 ZINC000909872466 981693622 /nfs/dbraw/zinc/69/36/22/981693622.db2.gz XGRXZPSSLIGTDM-KRWDZBQOSA-N -1 0 340.423 3.590 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1 ZINC001594761834 981694173 /nfs/dbraw/zinc/69/41/73/981694173.db2.gz ICTVTBCYVZBGPI-JTQLQIEISA-N -1 0 337.297 3.820 20 0 EHADRM CC[C@@H](CC(=O)NC(C)(C)c1cc(C(=O)[O-])on1)c1ccc(C)cc1 ZINC000909924906 981702851 /nfs/dbraw/zinc/70/28/51/981702851.db2.gz CXNAVBWRKSHPEX-ZDUSSCGKSA-N -1 0 344.411 3.616 20 0 EHADRM CCC[C@H]1CCCC[C@@H]1CNC(=O)NCc1cc(C)c(C(=O)[O-])o1 ZINC001595621811 981703822 /nfs/dbraw/zinc/70/38/22/981703822.db2.gz PDIGAYFLAQNUSZ-UONOGXRCSA-N -1 0 336.432 3.692 20 0 EHADRM CCC[C@H]1CCCN1C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001595622753 981713526 /nfs/dbraw/zinc/71/35/26/981713526.db2.gz XDFFRWOYKXIIQS-JKSUJKDBSA-N -1 0 332.444 3.813 20 0 EHADRM CCC[C@@H]1CCc2ccccc2N1CC(=O)c1cc(C(=O)[O-])[nH]c1C ZINC001595623136 981718215 /nfs/dbraw/zinc/71/82/15/981718215.db2.gz DHDNCLZESBRKEF-OAHLLOKOSA-N -1 0 340.423 3.826 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@H]1CCCC(F)(F)C1)c1ccccc1 ZINC001594768233 981728725 /nfs/dbraw/zinc/72/87/25/981728725.db2.gz RMFRQBMJYYDSCZ-JSGCOSHPSA-N -1 0 325.355 3.708 20 0 EHADRM CC1=C(C(=O)Nc2cc(Br)cc(C(=O)[O-])c2C)CCC1 ZINC000910086447 981755417 /nfs/dbraw/zinc/75/54/17/981755417.db2.gz HESZUAIEMIFASY-UHFFFAOYSA-N -1 0 338.201 3.895 20 0 EHADRM C[C@@H](NC(=O)CC[C@@H]1CCc2ccccc21)c1ncc(C(=O)[O-])s1 ZINC000910156438 981767405 /nfs/dbraw/zinc/76/74/05/981767405.db2.gz LVRJCDCGDQQGCT-YPMHNXCESA-N -1 0 344.436 3.529 20 0 EHADRM CC[C@@H](C(=O)Oc1ccc(C(=O)[O-])c(OC)c1)c1ccc(OC)cc1 ZINC001594778041 981772654 /nfs/dbraw/zinc/77/26/54/981772654.db2.gz HWZTWXKDRBPGKG-OAHLLOKOSA-N -1 0 344.363 3.501 20 0 EHADRM O=C([O-])Cc1ccc(CNC(=O)[C@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC000910193078 981777775 /nfs/dbraw/zinc/77/77/75/981777775.db2.gz CNQOTPTZJRCXBK-MOPGFXCFSA-N -1 0 337.419 3.514 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)Cc1cccc2ccccc21 ZINC001594779584 981782026 /nfs/dbraw/zinc/78/20/26/981782026.db2.gz BFAYMVKSZMENGK-NRFANRHFSA-N -1 0 339.435 3.874 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)C/C=C\c1ccc(C)cc1 ZINC001594780843 981784972 /nfs/dbraw/zinc/78/49/72/981784972.db2.gz IAGVSZJPWAZOMG-KKHYBRAUSA-N -1 0 329.440 3.890 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)Cc1c(C)oc2ccccc21 ZINC001594782460 981790363 /nfs/dbraw/zinc/79/03/63/981790363.db2.gz PYVXXDAFSXVTTD-FQEVSTJZSA-N -1 0 343.423 3.776 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1scc(C)c1Cl ZINC001594785447 981805493 /nfs/dbraw/zinc/80/54/93/981805493.db2.gz MBQUBTAOGQMDEJ-HNNXBMFYSA-N -1 0 329.849 3.815 20 0 EHADRM O=C([O-])C12CCC(C(=O)Nc3cccc(CC(F)(F)F)c3)(CC1)C2 ZINC000910242474 981810213 /nfs/dbraw/zinc/81/02/13/981810213.db2.gz RIBYVPPYNKAUCY-UHFFFAOYSA-N -1 0 341.329 3.765 20 0 EHADRM CCCC[C@@H](C)C(=O)N(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001595631061 981833021 /nfs/dbraw/zinc/83/30/21/981833021.db2.gz ZWTBJINVAAARTB-YMTOWFKASA-N -1 0 331.334 3.514 20 0 EHADRM Cc1nc(N2CCC[C@@H](c3nc4ccccc4o3)C2)ccc1C(=O)[O-] ZINC000910277339 981839511 /nfs/dbraw/zinc/83/95/11/981839511.db2.gz TUCRUAQZWROSCP-CYBMUJFWSA-N -1 0 337.379 3.613 20 0 EHADRM CCCC[C@@H](C)C(=O)Nc1cc(C(=O)[O-])c(NC(C)=O)cc1Cl ZINC001595631516 981839917 /nfs/dbraw/zinc/83/99/17/981839917.db2.gz SDXCWEIGQLKNAT-SECBINFHSA-N -1 0 340.807 3.761 20 0 EHADRM CCCC[C@H](C)C(=O)OCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001595631607 981841271 /nfs/dbraw/zinc/84/12/71/981841271.db2.gz WOSQPSURTKNGFO-LBPRGKRZSA-N -1 0 331.368 3.909 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(-n2cccc2)cc1 ZINC001594790154 981841206 /nfs/dbraw/zinc/84/12/06/981841206.db2.gz CWKJKSCZOORNHX-HXUWFJFHSA-N -1 0 340.423 3.583 20 0 EHADRM CCCC[C@H](CC)CNC(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001595632658 981858976 /nfs/dbraw/zinc/85/89/76/981858976.db2.gz MHQMAUUJKRFXLH-AWEZNQCLSA-N -1 0 332.444 3.669 20 0 EHADRM CCCC[C@@H](CC)CNC(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001595632659 981859108 /nfs/dbraw/zinc/85/91/08/981859108.db2.gz MHQMAUUJKRFXLH-CQSZACIVSA-N -1 0 332.444 3.669 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cc(C)c2ccccc2n1 ZINC001594794217 981868812 /nfs/dbraw/zinc/86/88/12/981868812.db2.gz XKEPVOQYPALQGS-FQEVSTJZSA-N -1 0 340.423 3.649 20 0 EHADRM CCCC[C@@H](NC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001595634211 981884007 /nfs/dbraw/zinc/88/40/07/981884007.db2.gz KQJYNGMWZCAVGV-ZWNOBZJWSA-N -1 0 331.334 3.569 20 0 EHADRM CCCC[C@@H](NC(=O)c1cc(C)c(C(=O)[O-])o1)c1ccc(OC)cc1 ZINC001595636525 981918805 /nfs/dbraw/zinc/91/88/05/981918805.db2.gz YXMGQCHJKNPTBW-OAHLLOKOSA-N -1 0 345.395 3.956 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(C(F)(F)F)cc1Cl ZINC001594821768 981972631 /nfs/dbraw/zinc/97/26/31/981972631.db2.gz JKLYJPLIZPMQPY-ZDUSSCGKSA-N -1 0 337.725 3.732 20 0 EHADRM C[C@H](C(=O)N[C@@H](CC(=O)[O-])C1CCCC1)c1ccc(Cl)s1 ZINC000910566387 981992624 /nfs/dbraw/zinc/99/26/24/981992624.db2.gz YXGYHHAXEXJBBE-ONGXEEELSA-N -1 0 329.849 3.655 20 0 EHADRM CCCC[C@H](S[C@@H](C(=O)OC)c1ccccc1Cl)C(=O)[O-] ZINC001595651256 982019474 /nfs/dbraw/zinc/01/94/74/982019474.db2.gz DNKAVPPDMLDJQP-QWHCGFSZSA-N -1 0 330.833 3.931 20 0 EHADRM CCCC[C@H](S[C@@H](C)C(=O)N(C)Cc1cccc(F)c1)C(=O)[O-] ZINC001595651869 982027941 /nfs/dbraw/zinc/02/79/41/982027941.db2.gz LXTKPYRLBLZDNF-WFASDCNBSA-N -1 0 341.448 3.549 20 0 EHADRM CCCC[C@@H](SCC(=O)N[C@@H](c1ccccc1)C1CC1)C(=O)[O-] ZINC001595655123 982042862 /nfs/dbraw/zinc/04/28/62/982042862.db2.gz HHYLSVCYKOVRIL-WBVHZDCISA-N -1 0 335.469 3.631 20 0 EHADRM CC[C@@](C)(NC(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC001594837184 982043107 /nfs/dbraw/zinc/04/31/07/982043107.db2.gz NHEHMBUHKZSJMB-LECLMCCNSA-N -1 0 347.411 3.937 20 0 EHADRM Cc1c(NC(=O)CCc2ccccc2C(=O)[O-])cnn1C1CCCC1 ZINC000910657110 982044542 /nfs/dbraw/zinc/04/45/42/982044542.db2.gz XJGCZZSLNUMIGX-UHFFFAOYSA-N -1 0 341.411 3.576 20 0 EHADRM CCCC[C@H](Sc1cc(Cl)nc([C@@H]2CCCO2)n1)C(=O)[O-] ZINC001595656874 982057027 /nfs/dbraw/zinc/05/70/27/982057027.db2.gz FLQCOJIHDHQXEQ-UWVGGRQHSA-N -1 0 330.837 3.717 20 0 EHADRM CCCCC1(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)CC1 ZINC001595657481 982063416 /nfs/dbraw/zinc/06/34/16/982063416.db2.gz UOBKLKFTFTYLKP-JKSUJKDBSA-N -1 0 349.858 3.937 20 0 EHADRM CCCCC1CCC(c2cc(NC(=O)[C@H]3C[C@H]3C(=O)[O-])n[nH]2)CC1 ZINC001595661098 982074243 /nfs/dbraw/zinc/07/42/43/982074243.db2.gz PIFRBLDMFXTGFO-CLRIEMFWSA-N -1 0 333.432 3.533 20 0 EHADRM CC(C)c1sc(NC(=O)c2ccc(C(C)C)cn2)nc1C(=O)[O-] ZINC000910705148 982074942 /nfs/dbraw/zinc/07/49/42/982074942.db2.gz CWKVUMQMEHHCPQ-UHFFFAOYSA-N -1 0 333.413 3.735 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)c2ccc(C)c(F)c2)nc1C(=O)[O-] ZINC000910721865 982085182 /nfs/dbraw/zinc/08/51/82/982085182.db2.gz NTFSAJBSKHXLMX-CYBMUJFWSA-N -1 0 348.399 3.575 20 0 EHADRM CSc1ccccc1C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910730842 982093155 /nfs/dbraw/zinc/09/31/55/982093155.db2.gz COIFLKWMDCEBNQ-UHFFFAOYSA-N -1 0 334.422 3.693 20 0 EHADRM O=C([O-])c1nc(NC(=O)C2(Cc3ccccc3)CC2)sc1C1CC1 ZINC000910732873 982094128 /nfs/dbraw/zinc/09/41/28/982094128.db2.gz FODVQBWYBKYNAZ-UHFFFAOYSA-N -1 0 342.420 3.680 20 0 EHADRM CC[C@@H](CC(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1)C(C)C ZINC000910735654 982097434 /nfs/dbraw/zinc/09/74/34/982097434.db2.gz ZEQKORHKOGCJGS-STQMWFEESA-N -1 0 338.473 3.886 20 0 EHADRM CCCCC[C@H](NC(=O)[C@@H](C)Oc1cccc(C(C)C)c1)C(=O)[O-] ZINC001595668903 982110952 /nfs/dbraw/zinc/11/09/52/982110952.db2.gz DLPGHFXJGRVBAN-PBHICJAKSA-N -1 0 335.444 3.727 20 0 EHADRM CCCCC[C@@H](NC(=O)[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC001595670024 982116027 /nfs/dbraw/zinc/11/60/27/982116027.db2.gz MEQLWGCBJYABGT-BXUZGUMPSA-N -1 0 345.361 3.959 20 0 EHADRM O=C([O-])CC1CC(NC(=O)c2ccc(-c3ccccc3Cl)o2)C1 ZINC000910813644 982134244 /nfs/dbraw/zinc/13/42/44/982134244.db2.gz WVRHNYRUYDHGQU-UHFFFAOYSA-N -1 0 333.771 3.583 20 0 EHADRM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000910837072 982143487 /nfs/dbraw/zinc/14/34/87/982143487.db2.gz GXFHFVUMMHPLHU-GBRSUSRYSA-N -1 0 335.403 3.826 20 0 EHADRM CCCCC[C@@H](NC(=O)c1cc(Cl)c(Cl)cc1OC)C(=O)[O-] ZINC001595675874 982145008 /nfs/dbraw/zinc/14/50/08/982145008.db2.gz CAASBHVPKYXPMM-GFCCVEGCSA-N -1 0 348.226 3.765 20 0 EHADRM C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000910936240 982169704 /nfs/dbraw/zinc/16/97/04/982169704.db2.gz RBIWZXGZYCJQBX-GQPKTWTLSA-N -1 0 339.391 3.786 20 0 EHADRM CSc1ccc(NC(=O)c2ccc(C)nc2C2CC2)cc1C(=O)[O-] ZINC000910944514 982170841 /nfs/dbraw/zinc/17/08/41/982170841.db2.gz NGITYEBRZNITGG-UHFFFAOYSA-N -1 0 342.420 3.940 20 0 EHADRM CCCCC[C@H](Nc1nn2cc(C3CCCC3)nc2s1)C(=O)[O-] ZINC001595686456 982174496 /nfs/dbraw/zinc/17/44/96/982174496.db2.gz AFOKDTQOPVETNF-LBPRGKRZSA-N -1 0 336.461 3.894 20 0 EHADRM CCCCCC[C@H](C)C(=O)N1CCOc2ccccc2[C@H]1C(=O)[O-] ZINC001595694902 982215176 /nfs/dbraw/zinc/21/51/76/982215176.db2.gz KNVAUPWJOQOFAK-YOEHRIQHSA-N -1 0 333.428 3.640 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C)[C@@H]2OCCc3sccc32)cc(C(=O)[O-])c1 ZINC000911073675 982227357 /nfs/dbraw/zinc/22/73/57/982227357.db2.gz STNVEKJIGLPFPI-ZBEGNZNMSA-N -1 0 345.420 3.643 20 0 EHADRM CC[C@@H](C)[C@H](C)C(=O)Oc1ccc(C(=O)[O-])cc1Br ZINC001594881084 982234232 /nfs/dbraw/zinc/23/42/32/982234232.db2.gz MNCRXVNAUUYFEY-BDAKNGLRSA-N -1 0 329.190 3.735 20 0 EHADRM CC[C@H](C)[C@@H](CNc1ccc(N2CCCCC2)c(C(=O)[O-])c1)OC ZINC001594884310 982262364 /nfs/dbraw/zinc/26/23/64/982262364.db2.gz PNQXZKUNUFSYNY-KBXCAEBGSA-N -1 0 334.460 3.848 20 0 EHADRM CCCCCC[C@@H](O)CCC(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001595702856 982266800 /nfs/dbraw/zinc/26/68/00/982266800.db2.gz NHFDOFFSBDXUND-CYBMUJFWSA-N -1 0 339.407 3.882 20 0 EHADRM CCCCCCN(Cc1ccc(C)o1)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001595708763 982286783 /nfs/dbraw/zinc/28/67/83/982286783.db2.gz GLKCSQYMAFEQRH-MRXNPFEDSA-N -1 0 348.443 3.853 20 0 EHADRM CCCCCCO[C@H](C)C(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001595711592 982300579 /nfs/dbraw/zinc/30/05/79/982300579.db2.gz YERPSWFGWYOUHB-SNVBAGLBSA-N -1 0 327.446 3.987 20 0 EHADRM O=C([O-])CC1(CC(=O)N2CCCCC[C@H]2c2ccncc2)CCCC1 ZINC000911233443 982303961 /nfs/dbraw/zinc/30/39/61/982303961.db2.gz CIJLALASTANKRX-KRWDZBQOSA-N -1 0 344.455 3.951 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCCC[C@H]2c2ccncc2)c(F)c1 ZINC000911233662 982304912 /nfs/dbraw/zinc/30/49/12/982304912.db2.gz HOPANFHWTUOZFV-KRWDZBQOSA-N -1 0 342.370 3.676 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N2CCCCC[C@H]2c2ccncc2)o1 ZINC000911235023 982306244 /nfs/dbraw/zinc/30/62/44/982306244.db2.gz VDKQGBLKILHAKT-IOBAAEILSA-N -1 0 340.379 3.530 20 0 EHADRM C[C@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)CC(C)(C)C ZINC000911328920 982353449 /nfs/dbraw/zinc/35/34/49/982353449.db2.gz WRJABXBKLXZWRV-CYBMUJFWSA-N -1 0 344.411 3.899 20 0 EHADRM CCCCCc1ccc(NC(=O)CCc2ocnc2C(=O)[O-])cc1 ZINC001595727688 982353788 /nfs/dbraw/zinc/35/37/88/982353788.db2.gz HZEYOGOGPXNFPP-UHFFFAOYSA-N -1 0 330.384 3.677 20 0 EHADRM CCCCN(C)C(=O)Nc1cc(-c2ccncc2)sc1C(=O)[O-] ZINC001595734556 982373885 /nfs/dbraw/zinc/37/38/85/982373885.db2.gz RVCWFPLGXIMBTF-UHFFFAOYSA-N -1 0 333.413 3.772 20 0 EHADRM CCCCN(C)C(=O)CSCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001595736163 982383006 /nfs/dbraw/zinc/38/30/06/982383006.db2.gz XDZXBIYDAZJYIM-UHFFFAOYSA-N -1 0 329.849 3.530 20 0 EHADRM Cn1ccc2cccc(NC(=O)C34CCC(C(=O)[O-])(CC3)CC4)c21 ZINC000911407183 982419452 /nfs/dbraw/zinc/41/94/52/982419452.db2.gz ZNQLGDHENQNKCF-UHFFFAOYSA-N -1 0 326.396 3.542 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)c1cccc2c1ccn2CC(C)C)C(=O)[O-] ZINC001594912408 982422738 /nfs/dbraw/zinc/42/27/38/982422738.db2.gz KFAWMIGWOBYALO-SUMWQHHRSA-N -1 0 330.428 3.526 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000911452177 982437280 /nfs/dbraw/zinc/43/72/80/982437280.db2.gz KNDHEWUJKGHBEV-SQWLQELKSA-N -1 0 335.831 3.895 20 0 EHADRM CC1(c2ccc(Cl)cc2)CCN(C(=O)CCCCC(=O)[O-])CC1 ZINC000911536965 982481046 /nfs/dbraw/zinc/48/10/46/982481046.db2.gz DRKYHSDYVIIUJU-UHFFFAOYSA-N -1 0 337.847 3.865 20 0 EHADRM CCCCOC(=O)c1ccc(NC(=O)c2ccsc2C(=O)[O-])cc1 ZINC001595765270 982489509 /nfs/dbraw/zinc/48/95/09/982489509.db2.gz JWRFGGGDAZNASM-UHFFFAOYSA-N -1 0 347.392 3.656 20 0 EHADRM CC(C)CCCC(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000911597551 982528866 /nfs/dbraw/zinc/52/88/66/982528866.db2.gz IIKRMIWHKHPNRP-UHFFFAOYSA-N -1 0 332.444 3.614 20 0 EHADRM CC[C@H](C)[C@@H](Sc1nccn1-c1ccc(N(C)C)cc1)C(=O)[O-] ZINC001594929798 982549111 /nfs/dbraw/zinc/54/91/11/982549111.db2.gz VCUOAZYWVDRZSY-SWLSCSKDSA-N -1 0 333.457 3.530 20 0 EHADRM CC[C@@H](C)[C@H](Sc1nnc(-c2ccc(F)cc2)n1CC)C(=O)[O-] ZINC001594930390 982551460 /nfs/dbraw/zinc/55/14/60/982551460.db2.gz WILJDRHXSYOCOB-MFKMUULPSA-N -1 0 337.420 3.696 20 0 EHADRM CCCCOc1cccc(NC(=O)N[C@@](C)(CC(=O)[O-])C2CC2)c1 ZINC001595781143 982559895 /nfs/dbraw/zinc/55/98/95/982559895.db2.gz RXRRUOBFTMLGHM-SFHVURJKSA-N -1 0 334.416 3.630 20 0 EHADRM O=C([O-])CC1(CC(=O)N2C[C@H]3CCC(=O)c4cccc2c43)CCCC1 ZINC000911646038 982583321 /nfs/dbraw/zinc/58/33/21/982583321.db2.gz QBYAXOJOWGBGRB-CYBMUJFWSA-N -1 0 341.407 3.519 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)[C@H](C)c1cccc(CC(C)C)c1)C(=O)[O-] ZINC001594935883 982589325 /nfs/dbraw/zinc/58/93/25/982589325.db2.gz CEOSPDMLNQORGH-HDMKZQKVSA-N -1 0 333.472 3.994 20 0 EHADRM CCCCSc1ccc(Cl)cc1C(=O)N[C@@H](C)/C=C\C(=O)[O-] ZINC001595791855 982590825 /nfs/dbraw/zinc/59/08/25/982590825.db2.gz HPIDMWBUVWEEBY-OFSNVTPPSA-N -1 0 341.860 3.991 20 0 EHADRM CCCCc1ccc(C(=O)COC(=O)c2cscc2C(=O)[O-])cc1 ZINC001595794049 982598177 /nfs/dbraw/zinc/59/81/77/982598177.db2.gz XHDWPIPDLQXGTD-UHFFFAOYSA-N -1 0 346.404 3.829 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(C(C)C)c(C)c1)C(=O)[O-] ZINC001594937187 982598402 /nfs/dbraw/zinc/59/84/02/982598402.db2.gz RUQFMIVQCJYGJE-JCKWVBRZSA-N -1 0 349.471 3.891 20 0 EHADRM O=C([O-])CCCC(=O)N1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000911674340 982598727 /nfs/dbraw/zinc/59/87/27/982598727.db2.gz OJQXBELTTGVTEF-UHFFFAOYSA-N -1 0 344.238 3.954 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)CCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC001594938009 982604309 /nfs/dbraw/zinc/60/43/09/982604309.db2.gz CQSAXNGPLFWJGE-IINYFYTJSA-N -1 0 346.254 3.932 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)CCc1ccc(F)c2ccccc12)C(=O)[O-] ZINC001594938448 982607139 /nfs/dbraw/zinc/60/71/39/982607139.db2.gz KZELTUJNIBUTJJ-ACJLOTCBSA-N -1 0 345.414 3.917 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)CCc1ccc(F)c2ccccc12)C(=O)[O-] ZINC001594938449 982607232 /nfs/dbraw/zinc/60/72/32/982607232.db2.gz KZELTUJNIBUTJJ-FZKQIMNGSA-N -1 0 345.414 3.917 20 0 EHADRM CCCCc1ccc(NC(=O)NCc2ncc(C(=O)[O-])s2)cc1 ZINC001595797551 982607506 /nfs/dbraw/zinc/60/75/06/982607506.db2.gz ZNRGAKAZSQVHSA-UHFFFAOYSA-N -1 0 333.413 3.506 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)CCCOc1ccccc1Cl)C(=O)[O-] ZINC001594939517 982610554 /nfs/dbraw/zinc/61/05/54/982610554.db2.gz TYYJVXWHUMCFGW-GXTWGEPZSA-N -1 0 341.835 3.505 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)c1c(C)[nH]c2ccc(Cl)cc21)C(=O)[O-] ZINC001594944627 982627711 /nfs/dbraw/zinc/62/77/11/982627711.db2.gz GQGWOXZTXPBXNP-XPTSAGLGSA-N -1 0 336.819 3.749 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)N[C@@H](C[C@@H](C)CC)C(=O)[O-])cc1 ZINC001594947011 982645884 /nfs/dbraw/zinc/64/58/84/982645884.db2.gz WNJBGZZLXLKBLL-GUYCJALGSA-N -1 0 335.444 3.873 20 0 EHADRM O=C([O-])c1cc(NC(=O)/C=C/c2ccc3ccccc3n2)ccc1F ZINC000914729310 982654418 /nfs/dbraw/zinc/65/44/18/982654418.db2.gz BZZDCMLNNKKQGN-CSKARUKUSA-N -1 0 336.322 3.724 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)c1cncc(-c2ccc(C)cc2)c1)C(=O)[O-] ZINC001594950017 982656164 /nfs/dbraw/zinc/65/61/64/982656164.db2.gz QGDOCGQWVQJUEV-FZKQIMNGSA-N -1 0 340.423 3.676 20 0 EHADRM CC[C@@H](C)C[C@H](Nc1ncnc2sc3c(c21)CCCC3)C(=O)[O-] ZINC001594952925 982675446 /nfs/dbraw/zinc/67/54/46/982675446.db2.gz OLJOHANNELKPMK-PWSUYJOCSA-N -1 0 333.457 3.871 20 0 EHADRM CCCN(C(=O)/C=C/c1cccc(OC2CCCC2)c1)[C@@H](C)C(=O)[O-] ZINC001595817223 982679157 /nfs/dbraw/zinc/67/91/57/982679157.db2.gz PVVZWQHLDMOMQE-RUMSDORHSA-N -1 0 345.439 3.733 20 0 EHADRM CCCN(C(=O)CCC(=O)c1ccc2ccccc2c1)[C@H](C)C(=O)[O-] ZINC001595817552 982681214 /nfs/dbraw/zinc/68/12/14/982681214.db2.gz UZDBBSJZWRREPC-CQSZACIVSA-N -1 0 341.407 3.514 20 0 EHADRM CC[C@@H](C)CCCCC(=O)N1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC001594958950 982702040 /nfs/dbraw/zinc/70/20/40/982702040.db2.gz IJSGPAJIFFADCA-CQSZACIVSA-N -1 0 347.455 3.885 20 0 EHADRM CCCN(C(=O)c1c(C)coc1CC(=O)[O-])c1ccc(CC)cc1 ZINC001595824802 982707371 /nfs/dbraw/zinc/70/73/71/982707371.db2.gz WKTYJJIZULVDDF-UHFFFAOYSA-N -1 0 329.396 3.834 20 0 EHADRM CCc1ccc(C(=O)CCC(=O)Nc2cc(C(=O)[O-])sc2C)cc1 ZINC000923094737 982719766 /nfs/dbraw/zinc/71/97/66/982719766.db2.gz NUTLSBSCFHKXEL-UHFFFAOYSA-N -1 0 345.420 3.919 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)C(C)(C)COCc1ccccc1 ZINC000923095613 982720284 /nfs/dbraw/zinc/72/02/84/982720284.db2.gz TXDXTBIDMNDFGL-UHFFFAOYSA-N -1 0 347.436 3.936 20 0 EHADRM CCCN(C(=O)c1sc(C2CCCCC2)nc1C)[C@H](C)C(=O)[O-] ZINC001595831688 982723115 /nfs/dbraw/zinc/72/31/15/982723115.db2.gz OYOCAZIFNSCSSI-GFCCVEGCSA-N -1 0 338.473 3.825 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1NC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000923132935 982745755 /nfs/dbraw/zinc/74/57/55/982745755.db2.gz HNLOLYPJNCHNBH-SJORKVTESA-N -1 0 341.432 3.572 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc(C(C)(C)C)c(Cl)c1 ZINC001594977429 982756251 /nfs/dbraw/zinc/75/62/51/982756251.db2.gz MLXQSMGCQUBOQU-LLVKDONJSA-N -1 0 325.836 3.963 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000923151267 982761968 /nfs/dbraw/zinc/76/19/68/982761968.db2.gz QULJVKPMJCSAFR-DGCLKSJQSA-N -1 0 347.411 3.880 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCc1c(Cl)cccc1Cl ZINC000923152985 982766198 /nfs/dbraw/zinc/76/61/98/982766198.db2.gz LPKJBMOLNRBVCU-GHMZBOCLSA-N -1 0 344.238 3.638 20 0 EHADRM CC(C)(C)n1c2ccccc2nc1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001116507195 982933037 /nfs/dbraw/zinc/93/30/37/982933037.db2.gz HPKJCLPFDZWDJY-OLZOCXBDSA-N -1 0 343.427 3.621 20 0 EHADRM CC[C@@H](C)c1ccc(C(=O)N[C@@](C)(CC(=O)[O-])c2ccncc2)cc1 ZINC001595010199 982939572 /nfs/dbraw/zinc/93/95/72/982939572.db2.gz OKUJKOJGPNMDKR-VLIAUNLRSA-N -1 0 340.423 3.715 20 0 EHADRM CC[C@H](C)c1ccc(OS(=O)(=O)c2ccsc2C(=O)[O-])cc1 ZINC001595010414 982940170 /nfs/dbraw/zinc/94/01/70/982940170.db2.gz QGLXPZDNKMXDAO-JTQLQIEISA-N -1 0 340.422 3.728 20 0 EHADRM CC[C@H](C)c1ccc([C@@H](NC(=O)NC[C@H](F)C(=O)[O-])C(C)C)cc1 ZINC001595010759 982943398 /nfs/dbraw/zinc/94/33/98/982943398.db2.gz WZFBHKCREHSLPH-RCBQFDQVSA-N -1 0 338.423 3.619 20 0 EHADRM CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)C(C)(C)CC(=O)[O-] ZINC001595014350 982951687 /nfs/dbraw/zinc/95/16/87/982951687.db2.gz RNIWYJBMQPJJAY-CHWSQXEVSA-N -1 0 349.427 3.571 20 0 EHADRM Cc1cccc(CO[C@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2C)c1 ZINC001118913465 982967103 /nfs/dbraw/zinc/96/71/03/982967103.db2.gz ICUXSASRHXSQEL-CQSZACIVSA-N -1 0 327.380 3.545 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC(Cc3ccc(Cl)cc3)CC2)o1 ZINC001118915599 982967904 /nfs/dbraw/zinc/96/79/04/982967904.db2.gz XAMJMKBUHBAZJC-UHFFFAOYSA-N -1 0 347.798 3.726 20 0 EHADRM CCCOc1ccc(NC(=O)N2CCC(CC(=O)[O-])CC2)cc1C ZINC001595961856 983161183 /nfs/dbraw/zinc/16/11/83/983161183.db2.gz QVTLPNMEPMAMAR-UHFFFAOYSA-N -1 0 334.416 3.502 20 0 EHADRM CCCOc1cccc(CCNC(=O)CC2(CC(=O)[O-])CCCC2)c1 ZINC001595969232 983189249 /nfs/dbraw/zinc/18/92/49/983189249.db2.gz MVYHIMUZMOHFIG-UHFFFAOYSA-N -1 0 347.455 3.559 20 0 EHADRM CCCc1c(C(=O)N2CC[C@]3(CC[C@H](C)C3)C2)[nH]c(C)c1C(=O)[O-] ZINC001596032359 983309837 /nfs/dbraw/zinc/30/98/37/983309837.db2.gz UHDZIVUSTKYLOZ-BUXKBTBVSA-N -1 0 332.444 3.626 20 0 EHADRM CCCc1c(C(=O)N[C@@H](C)c2ccc(F)cc2C)[nH]c(C)c1C(=O)[O-] ZINC001596045640 983335517 /nfs/dbraw/zinc/33/55/17/983335517.db2.gz JBPRQQJVSBQYAG-NSHDSACASA-N -1 0 346.402 3.912 20 0 EHADRM CCCc1cc(=O)[nH]c(C(=Cc2ccc(C=CC(=O)[O-])o2)CC)n1 ZINC001596049981 983348145 /nfs/dbraw/zinc/34/81/45/983348145.db2.gz BQIUPNMKWXKBPJ-ZLNDROGTSA-N -1 0 328.368 3.776 20 0 EHADRM CCCc1cc(C(=O)Oc2ccc(CC(=O)[O-])cc2F)sc1C ZINC001596056795 983360604 /nfs/dbraw/zinc/36/06/04/983360604.db2.gz GJONWTBXWXAEJV-UHFFFAOYSA-N -1 0 336.384 3.994 20 0 EHADRM CCCc1ccc([C@H](NC(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)C(C)C)cc1 ZINC001596062326 983371568 /nfs/dbraw/zinc/37/15/68/983371568.db2.gz FIKBGGPHEYBLOO-JCGIZDLHSA-N -1 0 346.471 3.841 20 0 EHADRM CCCc1ccc(CCCC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])cc1 ZINC001596062837 983372773 /nfs/dbraw/zinc/37/27/73/983372773.db2.gz KPOJSGKSXHMMQE-ZWKOTPCHSA-N -1 0 331.456 3.721 20 0 EHADRM CCCc1cccc(CN2C[C@H](C(=O)[O-])Oc3cc(F)ccc32)c1 ZINC001596069457 983384145 /nfs/dbraw/zinc/38/41/45/983384145.db2.gz XZXPOWRTZPZVNQ-GOSISDBHSA-N -1 0 329.371 3.630 20 0 EHADRM CCCn1c(C(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)cc2ccccc21 ZINC001596107232 983431414 /nfs/dbraw/zinc/43/14/14/983431414.db2.gz BLXWUVKYXQIBGJ-OYOVHJISSA-N -1 0 342.439 3.815 20 0 EHADRM CCCn1nccc1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1Cl ZINC001596121524 983458918 /nfs/dbraw/zinc/45/89/18/983458918.db2.gz ATUURPOYATWBEV-UHFFFAOYSA-N -1 0 342.182 3.550 20 0 EHADRM CCN(C(=O)c1cc2c(Cl)cccc2nc1C)C(C)(C)C(=O)[O-] ZINC001596165642 983530351 /nfs/dbraw/zinc/53/03/51/983530351.db2.gz YJMHPYUEJCNFSQ-UHFFFAOYSA-N -1 0 334.803 3.522 20 0 EHADRM CCN(C(=O)c1ccc(C(=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 ZINC001596165618 983530411 /nfs/dbraw/zinc/53/04/11/983530411.db2.gz WPIBJMCNPYNVFE-UHFFFAOYSA-N -1 0 327.424 3.816 20 0 EHADRM CCN(C(=O)c1ccc2c(c1)CCCC2=O)c1ccccc1C(=O)[O-] ZINC001596169668 983533653 /nfs/dbraw/zinc/53/36/53/983533653.db2.gz LBNCAAQVMRRLFZ-UHFFFAOYSA-N -1 0 337.375 3.571 20 0 EHADRM CCN(C(=O)c1scc(C)c1Cl)c1ncc(C(=O)[O-])s1 ZINC001596175107 983542469 /nfs/dbraw/zinc/54/24/69/983542469.db2.gz UFCUHZXVXLHXKI-UHFFFAOYSA-N -1 0 330.818 3.531 20 0 EHADRM CCN(CC)c1ccc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001596288106 983707758 /nfs/dbraw/zinc/70/77/58/983707758.db2.gz HXDGEBYBJJKZNM-UHFFFAOYSA-N -1 0 326.396 3.792 20 0 EHADRM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001596359283 983832863 /nfs/dbraw/zinc/83/28/63/983832863.db2.gz BEVVSFHINZKCJC-NWDGAFQWSA-N -1 0 344.238 3.843 20 0 EHADRM CCN(c1ccc(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)cc1)C(C)C ZINC001596383231 983907600 /nfs/dbraw/zinc/90/76/00/983907600.db2.gz YMDMEBPXZNNJLY-INIZCTEOSA-N -1 0 334.460 3.541 20 0 EHADRM CCN1CCN(Cc2ccc(C(=O)[O-])c(Cl)c2)c2ccccc21 ZINC001596436302 984118235 /nfs/dbraw/zinc/11/82/35/984118235.db2.gz MTSWBTUFAJUPGT-UHFFFAOYSA-N -1 0 330.815 3.885 20 0 EHADRM CCNc1nc(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)cs1 ZINC001596505231 984262864 /nfs/dbraw/zinc/26/28/64/984262864.db2.gz OVKXMCDUVMFCHB-UHFFFAOYSA-N -1 0 347.421 3.740 20 0 EHADRM O=C(Nc1ccc(N2CCCC2)c(F)c1)c1c([O-])cc(F)cc1F ZINC000066048055 1015021724 /nfs/dbraw/zinc/02/17/24/1015021724.db2.gz KVVDDLPYYAGPQK-UHFFFAOYSA-N -1 0 336.313 3.662 20 0 EHADRM C/C(=C(\F)C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1)C1CC1 ZINC001588932180 984606451 /nfs/dbraw/zinc/60/64/51/984606451.db2.gz BJWCOGNMKYSAPA-VQHVLOKHSA-N -1 0 326.393 3.731 20 0 EHADRM C/C(=C(/F)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12)C1CC1 ZINC001588932430 984608296 /nfs/dbraw/zinc/60/82/96/984608296.db2.gz DDETVFGXXKDBSL-WQRHYEAKSA-N -1 0 343.354 3.895 20 0 EHADRM C/C(=C/C(=O)N(CC(=O)[O-])CC(C)C)c1ccccc1C(F)(F)F ZINC001588933479 984612817 /nfs/dbraw/zinc/61/28/17/984612817.db2.gz UJYRBFMVGZYWGM-WQLSENKSSA-N -1 0 343.345 3.678 20 0 EHADRM C/C(=C/C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)c1cccs1 ZINC001588944105 984644476 /nfs/dbraw/zinc/64/44/76/984644476.db2.gz PBCNXRSXSXLKIO-YFHOEESVSA-N -1 0 326.377 3.970 20 0 EHADRM C/C(=C/C(=O)Nc1nc(CCCC(=O)[O-])cs1)c1ccccc1C ZINC001588945781 984654476 /nfs/dbraw/zinc/65/44/76/984654476.db2.gz MZXHFOZHSKPSGP-RAXLEYEMSA-N -1 0 344.436 3.901 20 0 EHADRM C/C(=C\C(=O)OCc1csc(-c2ccc(C(=O)[O-])cc2)n1)C1CC1 ZINC001588953650 984697901 /nfs/dbraw/zinc/69/79/01/984697901.db2.gz YCOWOELNPQKXKM-DHZHZOJOSA-N -1 0 343.404 3.908 20 0 EHADRM C/C(=C/C1CCC(C)CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001588955963 984700383 /nfs/dbraw/zinc/70/03/83/984700383.db2.gz FEJGEMJYWQZQAS-FHVGPTMXSA-N -1 0 329.440 3.571 20 0 EHADRM C/C(=C/C1CCC(C)CC1)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001588956585 984706309 /nfs/dbraw/zinc/70/63/09/984706309.db2.gz USPFMELQMRGQPJ-UVTDQMKNSA-N -1 0 331.412 3.861 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)C1CCCCCC1 ZINC001599894605 984737225 /nfs/dbraw/zinc/73/72/25/984737225.db2.gz QFMCHMDQNQVVGV-HOCLYGCPSA-N -1 0 338.492 3.878 20 0 EHADRM C[C@H](OC(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccc2c(c1)CCO2 ZINC001599904244 984902211 /nfs/dbraw/zinc/90/22/11/984902211.db2.gz QFAQRRPLOCYSOL-JTQLQIEISA-N -1 0 346.766 3.891 20 0 EHADRM C[C@H](OC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccccc1Br ZINC001599904477 984904819 /nfs/dbraw/zinc/90/48/19/984904819.db2.gz NOASIOLMXWADSH-AXFHLTTASA-N -1 0 341.201 3.554 20 0 EHADRM C[C@H](OC(=O)C12CCC(C(=O)[O-])(CC1)CC2)c1c(F)cccc1F ZINC001599905132 984911629 /nfs/dbraw/zinc/91/16/29/984911629.db2.gz UCFWQNAZNVHFIZ-NVWNAPEYSA-N -1 0 338.350 3.994 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001599905816 984921186 /nfs/dbraw/zinc/92/11/86/984921186.db2.gz XMSNADRDPMFMPZ-BXUZGUMPSA-N -1 0 338.835 3.543 20 0 EHADRM C/C(=C/c1c(Cl)cccc1Cl)C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC001588995432 984923745 /nfs/dbraw/zinc/92/37/45/984923745.db2.gz JUOOCEHHONMPKV-FNOHHLHBSA-N -1 0 330.211 3.622 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC001588995801 984928128 /nfs/dbraw/zinc/92/81/28/984928128.db2.gz SBFYIJILDBFGJK-FCZFYOHZSA-N -1 0 327.424 3.643 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC001588998409 984935026 /nfs/dbraw/zinc/93/50/26/984935026.db2.gz KPADXEIWJQOASN-BLSFAOBESA-N -1 0 341.382 3.788 20 0 EHADRM C[C@H]1CC[C@@](NCc2ncc(-c3ccccc3F)o2)(C(=O)[O-])CC1 ZINC001599908841 984958438 /nfs/dbraw/zinc/95/84/38/984958438.db2.gz HMHNFRLWHNIGRB-KSMLVUNXSA-N -1 0 332.375 3.604 20 0 EHADRM C/C(=C\c1cccnc1)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001589005497 984964380 /nfs/dbraw/zinc/96/43/80/984964380.db2.gz HIDUMFJXNLPIAF-ACCUITESSA-N -1 0 332.359 3.975 20 0 EHADRM C/C(=C/c1ccccn1)C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001589006861 984972023 /nfs/dbraw/zinc/97/20/23/984972023.db2.gz XDKGPRLSSCJDTE-RAXLEYEMSA-N -1 0 340.379 3.609 20 0 EHADRM C[C@H]1CN(C(=O)NCC2CC(C)(C)CC(C)(C)C2)C[C@]1(C)C(=O)[O-] ZINC001599919210 985106355 /nfs/dbraw/zinc/10/63/55/985106355.db2.gz IUPOOCLMYRNIEN-DJJJIMSYSA-N -1 0 338.492 3.591 20 0 EHADRM CC(=O)N(c1ccc(NCc2ccsc2C(=O)[O-])cc1)[C@@H]1C[C@H]1C ZINC001589051473 985139596 /nfs/dbraw/zinc/13/95/96/985139596.db2.gz ILBVQEDKWRVMQI-BDJLRTHQSA-N -1 0 344.436 3.820 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cccc(F)c2C(C)(F)F)C[C@]1(C)C(=O)[O-] ZINC001599922873 985160970 /nfs/dbraw/zinc/16/09/70/985160970.db2.gz GZRWRHNJRYHXMB-VFZGTOFNSA-N -1 0 344.333 3.512 20 0 EHADRM C[C@H]1Cc2ccccc2N(C(=O)c2cccc3cccnc32)[C@H]1C(=O)[O-] ZINC001599936883 985406965 /nfs/dbraw/zinc/40/69/65/985406965.db2.gz GZHRKIQSQIXSOQ-ORAYPTAESA-N -1 0 346.386 3.527 20 0 EHADRM CCO[C@@H]1C[C@@H](NC(=O)Nc2cc(C)cc(C(=O)[O-])c2)C12CCCC2 ZINC001596823556 985425316 /nfs/dbraw/zinc/42/53/16/985425316.db2.gz QTSWZKSTXWNXHF-HZPDHXFCSA-N -1 0 346.427 3.553 20 0 EHADRM C[Si](C)(C)CCCC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001599939419 985436257 /nfs/dbraw/zinc/43/62/57/985436257.db2.gz GGQZTSASVVVPEW-AWEZNQCLSA-N -1 0 345.874 3.839 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)N2Cc3ccccc3[C@H](C)C2)c(C)c1C(=O)[O-] ZINC001599946563 985538819 /nfs/dbraw/zinc/53/88/19/985538819.db2.gz VLPPVRFAETZIAL-RISCZKNCSA-N -1 0 340.423 3.520 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cccc(CCC(=O)[O-])c2)[C@@H]2CCCC[C@@H]21 ZINC001594482403 985539545 /nfs/dbraw/zinc/53/95/45/985539545.db2.gz OFIKRRTVEHNBAJ-KBRIMQKVSA-N -1 0 330.428 3.746 20 0 EHADRM C[C@@H]1CN(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])Cc2ccccc21 ZINC001594484819 985549170 /nfs/dbraw/zinc/54/91/70/985549170.db2.gz DCPMMRLZVRRSHH-CYBMUJFWSA-N -1 0 348.402 3.555 20 0 EHADRM Cc1[nH]c(C(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)c(C)c1C(=O)[O-] ZINC001599953204 985645767 /nfs/dbraw/zinc/64/57/67/985645767.db2.gz RZJJQSPSROSWCX-LBPRGKRZSA-N -1 0 344.411 3.608 20 0 EHADRM Cc1[nH]c(C(=O)Nc2nc3ccccc3n2C(C)C)c(C)c1C(=O)[O-] ZINC001599956323 985695651 /nfs/dbraw/zinc/69/56/51/985695651.db2.gz SMYGEAFDIKWMIX-UHFFFAOYSA-N -1 0 340.383 3.513 20 0 EHADRM Cc1[nH]c(CN(C)Cc2ccc(Cl)cc2Cl)cc1C(=O)[O-] ZINC001599962099 985804447 /nfs/dbraw/zinc/80/44/47/985804447.db2.gz KXZYWLMLYVNELC-UHFFFAOYSA-N -1 0 327.211 3.960 20 0 EHADRM Cc1[nH]c2ccccc2c1CC(=O)OCCc1ccccc1C(=O)[O-] ZINC001599965774 985901381 /nfs/dbraw/zinc/90/13/81/985901381.db2.gz XKDZLUKRTUFJKF-UHFFFAOYSA-N -1 0 337.375 3.503 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])[nH]c1NC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001589262021 985925829 /nfs/dbraw/zinc/92/58/29/985925829.db2.gz OVXHXEQOJVCZCG-PWSUYJOCSA-N -1 0 334.416 3.707 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCCC3)o1 ZINC001589278627 986000076 /nfs/dbraw/zinc/00/00/76/986000076.db2.gz FWWRVWMBRKOGAE-UHFFFAOYSA-N -1 0 347.392 3.763 20 0 EHADRM Cc1cc2c(cc1NC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1)OCO2 ZINC000510112716 1015179377 /nfs/dbraw/zinc/17/93/77/1015179377.db2.gz ADUNJPIHOWSFBW-LJQANCHMSA-N -1 0 347.411 3.724 20 0 EHADRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)[C@@H]1CC[C@H](C)C1 ZINC001599971666 986016720 /nfs/dbraw/zinc/01/67/20/986016720.db2.gz ZYROBCZAOLSHJX-WCBMZHEXSA-N -1 0 340.217 3.830 20 0 EHADRM CCOCc1ccc(-c2noc(C34CCC(C(=O)[O-])(CC3)C4)n2)cc1 ZINC001596946540 986097701 /nfs/dbraw/zinc/09/77/01/986097701.db2.gz WBHHMHZVOIFVTG-UHFFFAOYSA-N -1 0 342.395 3.560 20 0 EHADRM CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ccc(C(=O)[O-])cc2)c1 ZINC001589311784 986100374 /nfs/dbraw/zinc/10/03/74/986100374.db2.gz XCZZXGOVIXJCRK-GFCCVEGCSA-N -1 0 343.404 3.707 20 0 EHADRM CCON1CCC(CC(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])CC1 ZINC001596968144 986180736 /nfs/dbraw/zinc/18/07/36/986180736.db2.gz BJLLBWASXJDIPZ-UHFFFAOYSA-N -1 0 348.443 3.500 20 0 EHADRM CCON(Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001596969046 986188525 /nfs/dbraw/zinc/18/85/25/986188525.db2.gz STXNDLUKDLZBED-UHFFFAOYSA-N -1 0 328.368 3.679 20 0 EHADRM C[C@@H]1CN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)[C@H](C)[C@H](C)O1 ZINC001594547385 986225318 /nfs/dbraw/zinc/22/53/18/986225318.db2.gz JYSDKUCYHUEPMV-UPJWGTAASA-N -1 0 346.452 3.506 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)[C@H]3C[C@@H]3C(F)F)ccc2n1C1CC1 ZINC001599986367 986231429 /nfs/dbraw/zinc/23/14/29/986231429.db2.gz ZHSIJUBKZOFOAI-RYUDHWBXSA-N -1 0 349.333 3.789 20 0 EHADRM C[C@@H](C(=O)N([C@@H](C)C(=O)[O-])C1CCC1)c1ccc(C(F)(F)F)cc1 ZINC001589341621 986253909 /nfs/dbraw/zinc/25/39/09/986253909.db2.gz JEDXILMEXAOZLY-MNOVXSKESA-N -1 0 343.345 3.663 20 0 EHADRM C[C@@H](C(=O)N(CCc1ccccc1)CC(=O)[O-])c1ccc(Cl)cc1 ZINC001589343674 986275360 /nfs/dbraw/zinc/27/53/60/986275360.db2.gz WRNJABRPVFHXAF-CQSZACIVSA-N -1 0 345.826 3.599 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CCC(C(C)C)CC1 ZINC001597015438 986366519 /nfs/dbraw/zinc/36/65/19/986366519.db2.gz QBWAMNSJQMBUOA-UHFFFAOYSA-N -1 0 334.416 3.683 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NC(C1CCC1)C1CCC1 ZINC001597016433 986379948 /nfs/dbraw/zinc/37/99/48/986379948.db2.gz BBNNFBPMBUCACR-UHFFFAOYSA-N -1 0 346.427 3.874 20 0 EHADRM C[C@@H](C(=O)N1CCc2cc(C(=O)[O-])ccc2C1)c1cccc(Cl)c1 ZINC001589364174 986382840 /nfs/dbraw/zinc/38/28/40/986382840.db2.gz DAIDEIYKABEKPD-GFCCVEGCSA-N -1 0 343.810 3.727 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)Nc1cc(F)cc(OC)c1 ZINC001597022045 986418027 /nfs/dbraw/zinc/41/80/27/986418027.db2.gz JLDAHUBWDFPQMU-UHFFFAOYSA-N -1 0 348.330 3.575 20 0 EHADRM C[C@@H](C(=O)N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1)C1CCCC1 ZINC001589373535 986422035 /nfs/dbraw/zinc/42/20/35/986422035.db2.gz DXNLJJMLJUJREJ-YGRLFVJLSA-N -1 0 343.345 3.774 20 0 EHADRM C[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccccc1F)c1cc2ccccc2o1 ZINC001589378255 986440595 /nfs/dbraw/zinc/44/05/95/986440595.db2.gz GCZAZQDJTJDWKV-APPDUMDISA-N -1 0 341.338 3.618 20 0 EHADRM CCOc1cc(C)ccc1NC(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001597033446 986462789 /nfs/dbraw/zinc/46/27/89/986462789.db2.gz WAZIBNAVFMJXLG-OAHLLOKOSA-N -1 0 348.443 3.796 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC001597038477 986485297 /nfs/dbraw/zinc/48/52/97/986485297.db2.gz OWJAVNTUFPZZSS-CXAGYDPISA-N -1 0 339.819 3.502 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC001597038725 986488634 /nfs/dbraw/zinc/48/86/34/986488634.db2.gz YWSYGZWDRACZQF-UHFFFAOYSA-N -1 0 334.755 3.585 20 0 EHADRM CCOc1ccc([C@@H](Nc2cc(C(=O)[O-])ncn2)c2ccccc2)cc1 ZINC001597073712 986594450 /nfs/dbraw/zinc/59/44/50/986594450.db2.gz AMZMDXRKZXNJSJ-IBGZPJMESA-N -1 0 349.390 3.775 20 0 EHADRM C[C@@H]1Cc2cccc(C(=O)Nc3ccc(C(=O)[O-])c(Cl)c3)c2O1 ZINC001594622050 986664455 /nfs/dbraw/zinc/66/44/55/986664455.db2.gz ZGRPAQWMSLAFFI-SECBINFHSA-N -1 0 331.755 3.614 20 0 EHADRM C[C@H](C(=O)Nc1cc(F)cc(C(=O)[O-])c1F)c1ccc(F)cc1F ZINC001589428522 986703100 /nfs/dbraw/zinc/70/31/00/986703100.db2.gz HSLASCNDNAARSB-ZETCQYMHSA-N -1 0 341.260 3.683 20 0 EHADRM CCOc1ccc(N(CC)C(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC001597105754 986741893 /nfs/dbraw/zinc/74/18/93/986741893.db2.gz KLELYCVKLZUSLD-UHFFFAOYSA-N -1 0 346.358 3.981 20 0 EHADRM C[C@H](C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC001589439470 986773550 /nfs/dbraw/zinc/77/35/50/986773550.db2.gz VQDFOTWECVHJMR-NZVBXONLSA-N -1 0 345.345 3.895 20 0 EHADRM CCOc1ccc(NC(=O)NCCCCC2(C(=O)[O-])CCC2)cc1 ZINC001597120305 986810230 /nfs/dbraw/zinc/81/02/30/986810230.db2.gz IKOVSZULONPXOJ-UHFFFAOYSA-N -1 0 334.416 3.632 20 0 EHADRM CCOc1ccc(NC(=S)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001597122672 986818526 /nfs/dbraw/zinc/81/85/26/986818526.db2.gz FWYCIJYXAOKHPY-UHFFFAOYSA-N -1 0 334.372 3.732 20 0 EHADRM CCOc1ccc(NCc2ccc(C(=O)[O-])o2)cc1Br ZINC001597124081 986829807 /nfs/dbraw/zinc/82/98/07/986829807.db2.gz VIPYZSHKFHSSSC-UHFFFAOYSA-N -1 0 340.173 3.751 20 0 EHADRM CCOc1cccc(-c2cccc(NC(=O)C[C@H](C)CC(=O)[O-])n2)c1 ZINC001597145664 986907182 /nfs/dbraw/zinc/90/71/82/986907182.db2.gz KOSKMUPCUKNXAJ-ZDUSSCGKSA-N -1 0 342.395 3.587 20 0 EHADRM CCOc1ccc2[nH]c(SC[C@H]3CCCC[C@@H]3C(=O)[O-])nc2c1 ZINC001597145974 986909177 /nfs/dbraw/zinc/90/91/77/986909177.db2.gz QCFCXUOAOUCVJN-YPMHNXCESA-N -1 0 334.441 3.945 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1sccc1C1CC1)c1ccccc1 ZINC001589469927 986950327 /nfs/dbraw/zinc/95/03/27/986950327.db2.gz RBILTWXQIVTIJG-NHYWBVRUSA-N -1 0 329.421 3.817 20 0 EHADRM C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC001594665972 986963110 /nfs/dbraw/zinc/96/31/10/986963110.db2.gz PKLHOCZCTXSYOK-SECBINFHSA-N -1 0 349.308 3.562 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)c1ccc(-c2cccs2)s1)C1CCC1 ZINC001589476404 986975633 /nfs/dbraw/zinc/97/56/33/986975633.db2.gz BTEFNWSZAOPNTB-SNVBAGLBSA-N -1 0 335.450 3.944 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)Cc1ccc(-c2ccccc2)cc1)C1CCC1 ZINC001589478465 986995715 /nfs/dbraw/zinc/99/57/15/986995715.db2.gz ZCSLYWSEXPQUCU-HNNXBMFYSA-N -1 0 337.419 3.750 20 0 EHADRM C/C=C/COc1cccc(CC(=O)Nc2cccc(F)c2C(=O)[O-])c1 ZINC001594689601 987076548 /nfs/dbraw/zinc/07/65/48/987076548.db2.gz SSIKSLTWUMDCAA-NSCUHMNNSA-N -1 0 343.354 3.660 20 0 EHADRM CC/C(=C\C(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccc(C)cc1 ZINC001594690555 987080251 /nfs/dbraw/zinc/08/02/51/987080251.db2.gz AZANRLZZIRFATG-SAPNQHFASA-N -1 0 337.419 3.846 20 0 EHADRM CC/C(=C/C(=O)N[C@H](C(=O)[O-])c1ccsc1)c1ccc(C)cc1 ZINC001594690642 987081782 /nfs/dbraw/zinc/08/17/82/987081782.db2.gz GAJCPDFUXYFHDK-QFSNBGPKSA-N -1 0 329.421 3.792 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)C2CC(O)(CCC(C)(C)C)C2)cc1 ZINC001589502333 987104694 /nfs/dbraw/zinc/10/46/94/987104694.db2.gz FJMBFMMINMWYDO-LMVFOVOHSA-N -1 0 347.455 3.781 20 0 EHADRM CC/C(=C/C(=O)OCc1nc(C)c(C(=O)[O-])s1)c1ccc(C)cc1 ZINC001594693937 987105115 /nfs/dbraw/zinc/10/51/15/987105115.db2.gz IRNOPBYZWMMTDT-LCYFTJDESA-N -1 0 345.420 3.995 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)/C=C/SCc2ccco2)cc1 ZINC001589503268 987107035 /nfs/dbraw/zinc/10/70/35/987107035.db2.gz LQTLZLWOLANMGX-OANVXVOSSA-N -1 0 331.393 3.853 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)Cc2nsc3ccccc32)cc1 ZINC001589504874 987116343 /nfs/dbraw/zinc/11/63/43/987116343.db2.gz OSGHAHMCUXVLSE-LLVKDONJSA-N -1 0 340.404 3.666 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cn[nH]c2-c2ccsc2)cc1 ZINC001589511431 987139855 /nfs/dbraw/zinc/13/98/55/987139855.db2.gz CKQGVIVRXAVRJW-SNVBAGLBSA-N -1 0 341.392 3.579 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cccc3scnc32)cc1 ZINC001589521482 987166981 /nfs/dbraw/zinc/16/69/81/987166981.db2.gz PZGLIFOVWSCCEH-SNVBAGLBSA-N -1 0 326.377 3.737 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 ZINC001589531232 987200431 /nfs/dbraw/zinc/20/04/31/987200431.db2.gz CBLGUBNNYBVIJI-NEPJUHHUSA-N -1 0 347.798 3.934 20 0 EHADRM C[C@@H](C(=O)O[C@H](C(=O)[O-])c1ccccc1Cl)c1cccc(F)c1 ZINC001589538859 987232799 /nfs/dbraw/zinc/23/27/99/987232799.db2.gz AHWGROLISRBPGF-BMIGLBTASA-N -1 0 336.746 3.952 20 0 EHADRM C[C@@H](C(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F)C1CCC1 ZINC001589539259 987234409 /nfs/dbraw/zinc/23/44/09/987234409.db2.gz BVWBMHPJNXCIBS-NOZJJQNGSA-N -1 0 330.302 3.968 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001594728697 987236440 /nfs/dbraw/zinc/23/64/40/987236440.db2.gz IYUPLXFJFYIASF-SWHYSGLUSA-N -1 0 345.361 3.815 20 0 EHADRM C[C@H](C(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F)C(C)(F)F ZINC001589540627 987245980 /nfs/dbraw/zinc/24/59/80/987245980.db2.gz NEVTYZHTOKBVFC-GMSGAONNSA-N -1 0 340.244 3.823 20 0 EHADRM CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2scc(C)c2C(=O)[O-])C1 ZINC001597255249 987253322 /nfs/dbraw/zinc/25/33/22/987253322.db2.gz AVUYIMWRNAQTAS-WDEREUQCSA-N -1 0 342.486 3.893 20 0 EHADRM CCSCC[C@H](C)N(C)C(=O)Nc1ccc(CC)cc1C(=O)[O-] ZINC001597259198 987278748 /nfs/dbraw/zinc/27/87/48/987278748.db2.gz KQEAQEGTZJRGMS-LBPRGKRZSA-N -1 0 338.473 3.943 20 0 EHADRM CCSCCS[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001597263107 987287249 /nfs/dbraw/zinc/28/72/49/987287249.db2.gz ARLLSOANSFQNAR-LLVKDONJSA-N -1 0 327.471 3.507 20 0 EHADRM CCSCc1ccccc1C(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-] ZINC001597265412 987296493 /nfs/dbraw/zinc/29/64/93/987296493.db2.gz UGJBRNQWAIQIFY-YJBOKZPZSA-N -1 0 335.469 3.703 20 0 EHADRM CCSc1cc(C(=O)N(CCC(=O)[O-])c2ccccc2C)ccn1 ZINC001597267408 987301818 /nfs/dbraw/zinc/30/18/18/987301818.db2.gz GQXASEVHNGYCBT-UHFFFAOYSA-N -1 0 344.436 3.624 20 0 EHADRM CCSc1cc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)ccn1 ZINC001597268474 987310423 /nfs/dbraw/zinc/31/04/23/987310423.db2.gz VCSQCVLLLAORMD-NSHDSACASA-N -1 0 330.409 3.634 20 0 EHADRM CC(C)(C(=O)COC(=O)CC1(CC(=O)[O-])CCCC1)c1ccccc1 ZINC001589560640 987315649 /nfs/dbraw/zinc/31/56/49/987315649.db2.gz KTAZYTSGLDONFO-UHFFFAOYSA-N -1 0 346.423 3.502 20 0 EHADRM CCSc1cccc(C(=O)Oc2c(OC)cccc2C(=O)[O-])c1 ZINC001597273726 987330810 /nfs/dbraw/zinc/33/08/10/987330810.db2.gz ZJGZDNRDCDPKHA-UHFFFAOYSA-N -1 0 332.377 3.725 20 0 EHADRM CC(C)(C(=O)NC[C@H](C(=O)[O-])C1CCCCCC1)c1ccc(F)cc1 ZINC001589567343 987333652 /nfs/dbraw/zinc/33/36/52/987333652.db2.gz OKNAIULRUSEJGY-KRWDZBQOSA-N -1 0 349.446 3.891 20 0 EHADRM CCSc1ccccc1CCNC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001597279624 987343327 /nfs/dbraw/zinc/34/33/27/987343327.db2.gz MNLNNUOOMFOYMI-UHFFFAOYSA-N -1 0 344.436 3.861 20 0 EHADRM CCSc1ccccc1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001597279869 987346077 /nfs/dbraw/zinc/34/60/77/987346077.db2.gz QOJYWRCNFXRUNJ-UHFFFAOYSA-N -1 0 345.420 3.904 20 0 EHADRM CC(C)(C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)c1ccccc1F ZINC001589576023 987353628 /nfs/dbraw/zinc/35/36/28/987353628.db2.gz FRFIFAQQLKOJBU-UHFFFAOYSA-N -1 0 337.297 3.718 20 0 EHADRM CC(C)(C(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1)C1CC1 ZINC001589581102 987362841 /nfs/dbraw/zinc/36/28/41/987362841.db2.gz ZUBIMQNAEUKCLV-UHFFFAOYSA-N -1 0 344.180 3.661 20 0 EHADRM CC[C@@H]1CC[C@@H](C)N(C(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)C1 ZINC001597293441 987390385 /nfs/dbraw/zinc/39/03/85/987390385.db2.gz JDIAPNKILSNWRR-GHMZBOCLSA-N -1 0 339.461 3.548 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)NCCC[C@@H]1C=CCC1)c1ccccc1 ZINC001589595130 987412243 /nfs/dbraw/zinc/41/22/43/987412243.db2.gz SVXWFBFKHRQHSZ-WBVHZDCISA-N -1 0 344.455 3.884 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1ccc(CF)cc1)c1ccccc1 ZINC001589599020 987421018 /nfs/dbraw/zinc/42/10/18/987421018.db2.gz RXWZGSPZUUAKEX-INIZCTEOSA-N -1 0 329.371 3.738 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]([NH2+]Cc1ccc([O-])c(F)c1F)c1ccccc1 ZINC001589602265 987431023 /nfs/dbraw/zinc/43/10/23/987431023.db2.gz WIRLNHUCWCUJQQ-INIZCTEOSA-N -1 0 335.350 3.612 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2c(F)ccc(F)c2Cl)C1 ZINC001589611669 987466660 /nfs/dbraw/zinc/46/66/60/987466660.db2.gz RQMKPZIXXABMQI-VIFPVBQESA-N -1 0 345.773 3.581 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NC[C@H]2CCC[C@H]2C2CC2)cc1 ZINC001589637791 987557255 /nfs/dbraw/zinc/55/72/55/987557255.db2.gz LXYMTNVWGLVDEB-PBHICJAKSA-N -1 0 344.455 3.997 20 0 EHADRM CCc1[nH]c(C(=O)Nc2ccc(C(C)(C)C)nc2)c(C)c1C(=O)[O-] ZINC001597373730 987559246 /nfs/dbraw/zinc/55/92/46/987559246.db2.gz ZKIBLUMXDNVIIY-UHFFFAOYSA-N -1 0 329.400 3.529 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(NC(=O)CC2CCC(F)(F)CC2)n1 ZINC001589649142 987586102 /nfs/dbraw/zinc/58/61/02/987586102.db2.gz JRLPYBOJQBNMNV-UHFFFAOYSA-N -1 0 346.399 3.659 20 0 EHADRM CCc1[nH]c(C(=O)N[C@@H]2CCCc3ccc(C)cc32)c(C)c1C(=O)[O-] ZINC001597384856 987590414 /nfs/dbraw/zinc/59/04/14/987590414.db2.gz KIEVPNAGFJDQDV-MRXNPFEDSA-N -1 0 340.423 3.700 20 0 EHADRM CCc1[nH]c(CN2Cc3ccccc3OC3(CCC3)C2)cc1C(=O)[O-] ZINC001597391309 987620392 /nfs/dbraw/zinc/62/03/92/987620392.db2.gz JWPQDLJIBLFGPL-UHFFFAOYSA-N -1 0 340.423 3.593 20 0 EHADRM CCc1c2ccccc2oc1C(=O)N1C[C@H](C(=O)[O-])Cc2ccccc21 ZINC001597402589 987673133 /nfs/dbraw/zinc/67/31/33/987673133.db2.gz PTBDZUCPBFMUEW-CQSZACIVSA-N -1 0 349.386 3.899 20 0 EHADRM CCc1c2ccccc2oc1C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC001597402678 987673290 /nfs/dbraw/zinc/67/32/90/987673290.db2.gz RQDYYKRDTMOUIJ-HNNXBMFYSA-N -1 0 335.359 3.824 20 0 EHADRM CCc1c(C(=O)Nc2ccc(C(=O)[O-])cc2C)cnn1C1CCCC1 ZINC001597411605 987700826 /nfs/dbraw/zinc/70/08/26/987700826.db2.gz GRTSGDBXRPPJRH-UHFFFAOYSA-N -1 0 341.411 3.820 20 0 EHADRM CC(C)(C(=O)OCCCC(=O)[O-])c1csc(-c2cccs2)n1 ZINC001589680732 987706470 /nfs/dbraw/zinc/70/64/70/987706470.db2.gz CAUQANLAUYZEPD-UHFFFAOYSA-N -1 0 339.438 3.557 20 0 EHADRM CCc1c(NCc2cc(C(=O)[O-])oc2C)cnn1-c1ccccc1C ZINC001597419670 987724875 /nfs/dbraw/zinc/72/48/75/987724875.db2.gz INNKHPFFJJNQRP-UHFFFAOYSA-N -1 0 339.395 3.955 20 0 EHADRM CC(C)(C)C(=O)CCCC(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001589686295 987732751 /nfs/dbraw/zinc/73/27/51/987732751.db2.gz XLIBBDADQNVFRN-UHFFFAOYSA-N -1 0 342.395 3.657 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])cc1 ZINC001589696607 987775777 /nfs/dbraw/zinc/77/57/77/987775777.db2.gz IAWHHKPDDRINGD-DZGCQCFKSA-N -1 0 346.427 3.680 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)Nc1ccc2c3c(cccc31)CC2 ZINC001589702314 987797308 /nfs/dbraw/zinc/79/73/08/987797308.db2.gz BWISEZLIVDXIHN-INIZCTEOSA-N -1 0 340.423 3.949 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)[C@H](C)Cc2cccc(F)c2)s1 ZINC001597440143 987797636 /nfs/dbraw/zinc/79/76/36/987797636.db2.gz ABXLHOKTDHAGMH-SNVBAGLBSA-N -1 0 335.400 3.965 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)c1ccc(Oc2ccccc2)o1 ZINC001589704228 987809112 /nfs/dbraw/zinc/80/91/12/987809112.db2.gz GEFJGBPNRJWLPR-AWEZNQCLSA-N -1 0 331.368 3.691 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2cccc(C(F)(F)F)n2)s1 ZINC001597445164 987815842 /nfs/dbraw/zinc/81/58/42/987815842.db2.gz GWKJLKTYINWAHJ-UHFFFAOYSA-N -1 0 344.314 3.675 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCC(F)(C2CC2)CC1 ZINC001597454071 987859456 /nfs/dbraw/zinc/85/94/56/987859456.db2.gz YCMJJHFPSJORLK-UHFFFAOYSA-N -1 0 334.391 3.693 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@H](CC)CC(F)(F)F ZINC001597456637 987863976 /nfs/dbraw/zinc/86/39/76/987863976.db2.gz JMIYPNUGUUTLRM-LLVKDONJSA-N -1 0 332.322 3.800 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC001597457549 987874920 /nfs/dbraw/zinc/87/49/20/987874920.db2.gz VYSZJKMHUBYXNI-LBPRGKRZSA-N -1 0 344.333 3.753 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCc1cccc2[nH]ccc21 ZINC001597459614 987886802 /nfs/dbraw/zinc/88/68/02/987886802.db2.gz KNSWGRYNKXVLBX-UHFFFAOYSA-N -1 0 337.379 3.750 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(OC(C)C)cc1 ZINC001597465609 987906916 /nfs/dbraw/zinc/90/69/16/987906916.db2.gz XYFNLZJIHXFIDD-UHFFFAOYSA-N -1 0 327.380 3.987 20 0 EHADRM CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001589727943 987926133 /nfs/dbraw/zinc/92/61/33/987926133.db2.gz COTMJXFQJOKNIQ-MFKMUULPSA-N -1 0 340.370 3.999 20 0 EHADRM CS[C@@H]1CC[C@@H](NC(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)C1 ZINC001599787945 987955687 /nfs/dbraw/zinc/95/56/87/987955687.db2.gz JMLACPKEQGYQMD-VXNVDRBHSA-N -1 0 346.811 3.583 20 0 EHADRM CC(C)(C)[C@H]1CN(C(=O)Nc2cccc(C(=O)[O-])n2)c2ccccc21 ZINC001589735340 987985626 /nfs/dbraw/zinc/98/56/26/987985626.db2.gz SCLUFLVABNUNNJ-ZDUSSCGKSA-N -1 0 339.395 3.962 20 0 EHADRM CC(C)(C)[C@H]1Cc2ccccc2N(C(=O)c2cc(C(=O)[O-])co2)C1 ZINC001589737567 987994721 /nfs/dbraw/zinc/99/47/21/987994721.db2.gz ATSVMSKJVLJDFL-AWEZNQCLSA-N -1 0 327.380 3.843 20 0 EHADRM CCc1cc2c(nc(C)nc2NC[C@@H](C(=O)[O-])c2ccccc2)s1 ZINC001597489227 988009953 /nfs/dbraw/zinc/00/99/53/988009953.db2.gz DXSOGWJBFVNJLD-OAHLLOKOSA-N -1 0 341.436 3.842 20 0 EHADRM CS/C=C/C(=O)Nc1c(OCc2ccccc2)cccc1C(=O)[O-] ZINC001599791358 988014503 /nfs/dbraw/zinc/01/45/03/988014503.db2.gz SZWVLKSIOJCJRW-ZHACJKMWSA-N -1 0 343.404 3.779 20 0 EHADRM CCc1cc2c(ncnc2NC[C@@H](C(=O)[O-])c2ccc(F)cc2)s1 ZINC001597490043 988015166 /nfs/dbraw/zinc/01/51/66/988015166.db2.gz YLHVPOSKFKTZBE-CQSZACIVSA-N -1 0 345.399 3.673 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)CCCCCc1ccc(F)cc1)C(=O)[O-] ZINC001589743039 988020092 /nfs/dbraw/zinc/02/00/92/988020092.db2.gz AWLALJONWSYQIH-INIZCTEOSA-N -1 0 337.435 3.934 20 0 EHADRM CSCC1(CCNC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)CC1 ZINC001599792148 988028891 /nfs/dbraw/zinc/02/88/91/988028891.db2.gz HMEUVHVWHGAMEM-UHFFFAOYSA-N -1 0 336.457 3.656 20 0 EHADRM CCc1ccc(Br)cc1C(=O)Oc1cccc(C(=O)[O-])c1 ZINC001597494754 988038009 /nfs/dbraw/zinc/03/80/09/988038009.db2.gz INQCUFMZYHXQHJ-UHFFFAOYSA-N -1 0 349.180 3.929 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)c1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC001589761914 988093230 /nfs/dbraw/zinc/09/32/30/988093230.db2.gz RANYMXXVXZPGGM-ZDUSSCGKSA-N -1 0 333.409 3.856 20 0 EHADRM CCc1ccc([C@@H](NC(=O)N2CCC(CC(=O)[O-])CC2)C(C)C)cc1 ZINC001597514414 988121162 /nfs/dbraw/zinc/12/11/62/988121162.db2.gz OBQIIHNWEZXCDF-IBGZPJMESA-N -1 0 346.471 3.842 20 0 EHADRM CC(C)(C)CC[C@H](NCc1ccoc1C(=O)[O-])C(=O)OC(C)(C)C ZINC001589767206 988121488 /nfs/dbraw/zinc/12/14/88/988121488.db2.gz YKXBOBIAVVVXJO-ZDUSSCGKSA-N -1 0 339.432 3.604 20 0 EHADRM CSCC[C@H](OC(=O)c1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC001599798754 988140428 /nfs/dbraw/zinc/14/04/28/988140428.db2.gz VZXAVLRKSGHLMP-INIZCTEOSA-N -1 0 346.404 3.842 20 0 EHADRM CC(C)(C)CN(C(=O)CCc1ccccc1C(=O)[O-])c1ccccn1 ZINC001589780074 988146635 /nfs/dbraw/zinc/14/66/35/988146635.db2.gz ISJYEOLGAFYDJO-UHFFFAOYSA-N -1 0 340.423 3.792 20 0 EHADRM CSCCCN(C)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001599799235 988147647 /nfs/dbraw/zinc/14/76/47/988147647.db2.gz YYSQOTFNTAEADI-UHFFFAOYSA-N -1 0 336.482 3.693 20 0 EHADRM CSCCCCCCNC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001599799707 988155339 /nfs/dbraw/zinc/15/53/39/988155339.db2.gz QHNFYEKTDUKMOA-UHFFFAOYSA-N -1 0 329.849 3.691 20 0 EHADRM CC(C)(C)Cc1ccccc1C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001589788976 988174056 /nfs/dbraw/zinc/17/40/56/988174056.db2.gz KNLLGBBDRRXUCX-WTTBNOFXSA-N -1 0 329.440 3.504 20 0 EHADRM CC(C)(C)Cc1ccccc1C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001589789006 988174244 /nfs/dbraw/zinc/17/42/44/988174244.db2.gz MMQKUBBHEUHQFX-UZLBHIALSA-N -1 0 329.440 3.745 20 0 EHADRM CCc1ccc(NC(=O)C[C@H]2OCCc3ccccc32)c(C(=O)[O-])c1 ZINC001597542448 988231075 /nfs/dbraw/zinc/23/10/75/988231075.db2.gz CDUYHJGUWLDBTK-GOSISDBHSA-N -1 0 339.391 3.590 20 0 EHADRM CSCc1cccnc1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001599804580 988233731 /nfs/dbraw/zinc/23/37/31/988233731.db2.gz NQIFVOOJESXIAO-UHFFFAOYSA-N -1 0 336.800 3.549 20 0 EHADRM CCc1ccc(NC(=O)[C@@H]2SCCc3sccc32)c(C(=O)[O-])c1 ZINC001597543272 988240130 /nfs/dbraw/zinc/24/01/30/988240130.db2.gz ZFSWCUBKWIUDMV-OAHLLOKOSA-N -1 0 347.461 3.978 20 0 EHADRM CCc1ccc(NC(=O)COC[C@H](C)c2ccccc2)c(C(=O)[O-])c1 ZINC001597545595 988248957 /nfs/dbraw/zinc/24/89/57/988248957.db2.gz YOTTXYQCBZMWFR-AWEZNQCLSA-N -1 0 341.407 3.706 20 0 EHADRM CCc1ccc(NC(=O)c2cc(C)n([C@@H](C)C3CC3)n2)c(C(=O)[O-])c1 ZINC001597550519 988268291 /nfs/dbraw/zinc/26/82/91/988268291.db2.gz GWEXDNIRMYNNOE-LBPRGKRZSA-N -1 0 341.411 3.675 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)NCc1ccoc1C(=O)[O-] ZINC001599808337 988292487 /nfs/dbraw/zinc/29/24/87/988292487.db2.gz CQSZZSHKAGIZMH-UHFFFAOYSA-N -1 0 340.788 3.675 20 0 EHADRM CSc1cc(NC(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)ccc1Cl ZINC001599808884 988300309 /nfs/dbraw/zinc/30/03/09/988300309.db2.gz OVGAYOUJUWGAIU-NXEZZACHSA-N -1 0 342.848 3.636 20 0 EHADRM CSc1ccc(/C=C\C(=O)NC2(CC(=O)[O-])CCCCC2)s1 ZINC001599811820 988350178 /nfs/dbraw/zinc/35/01/78/988350178.db2.gz CBLGSRVNBZSDPX-ALCCZGGFSA-N -1 0 339.482 3.777 20 0 EHADRM CSc1ccc(CCCC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)cc1 ZINC001599812593 988363003 /nfs/dbraw/zinc/36/30/03/988363003.db2.gz HYJDZWLPWDUETF-HNNXBMFYSA-N -1 0 337.485 3.737 20 0 EHADRM CCc1cccc(C(=O)O[C@@H](c2ccc(C(=O)[O-])cc2)C(F)F)n1 ZINC001597578588 988374681 /nfs/dbraw/zinc/37/46/81/988374681.db2.gz HYWXKDRKBXPRFX-AWEZNQCLSA-N -1 0 335.306 3.505 20 0 EHADRM CCc1cccc(C)c1NC(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001597579084 988377755 /nfs/dbraw/zinc/37/77/55/988377755.db2.gz QKZCIHPNGDCUNL-UHFFFAOYSA-N -1 0 338.407 3.846 20 0 EHADRM CSc1ccc(Cl)c(C(=O)OCc2ccc(C(=O)[O-])cn2)c1 ZINC001599813944 988386745 /nfs/dbraw/zinc/38/67/45/988386745.db2.gz CGOHXFRSMGLUKZ-UHFFFAOYSA-N -1 0 337.784 3.512 20 0 EHADRM CSc1ccc(NC(=O)C(C)(C)Nc2ccccc2)cc1C(=O)[O-] ZINC001599815441 988415507 /nfs/dbraw/zinc/41/55/07/988415507.db2.gz AEGGKGOAEXBFMY-UHFFFAOYSA-N -1 0 344.436 3.936 20 0 EHADRM CSc1ccc(NC(=O)c2ccc(C)c(C(C)=O)c2)cc1C(=O)[O-] ZINC001599817563 988453834 /nfs/dbraw/zinc/45/38/34/988453834.db2.gz NGIQMMSNTOXGDH-UHFFFAOYSA-N -1 0 343.404 3.870 20 0 EHADRM CSc1ccc(NC(=O)c2cccc(C(C)C)n2)cc1C(=O)[O-] ZINC001599817889 988458729 /nfs/dbraw/zinc/45/87/29/988458729.db2.gz UEDRTAAURGVBBR-UHFFFAOYSA-N -1 0 330.409 3.877 20 0 EHADRM CSc1ccc(NC(=O)NC[C@@H]2CCCCS2)cc1C(=O)[O-] ZINC001599818403 988469415 /nfs/dbraw/zinc/46/94/15/988469415.db2.gz FRHUGFRCOFKIHN-NSHDSACASA-N -1 0 340.470 3.514 20 0 EHADRM CSc1ccc(NC(=O)Nc2cnn(C3CCC3)c2)cc1C(=O)[O-] ZINC001599819027 988479037 /nfs/dbraw/zinc/47/90/37/988479037.db2.gz HJHREHLJZJELKL-UHFFFAOYSA-N -1 0 346.412 3.672 20 0 EHADRM CSc1ccc(NCc2nc3ccccc3nc2C)cc1C(=O)[O-] ZINC001599820643 988507565 /nfs/dbraw/zinc/50/75/65/988507565.db2.gz GQRXENKPZNRHRK-UHFFFAOYSA-N -1 0 339.420 3.970 20 0 EHADRM CSc1ccc([C@H](C)NC(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC001599821232 988517257 /nfs/dbraw/zinc/51/72/57/988517257.db2.gz QCEMUVIKXVJMQK-ZDUSSCGKSA-N -1 0 343.448 3.917 20 0 EHADRM CCc1ccnc(C(=O)Nc2cc(C(=O)[O-])cc(Cl)c2Cl)c1 ZINC001597623033 988567649 /nfs/dbraw/zinc/56/76/49/988567649.db2.gz KOULCQVNDLGKNF-UHFFFAOYSA-N -1 0 339.178 3.901 20 0 EHADRM CSc1cccc(NC(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)c1 ZINC001599824767 988579638 /nfs/dbraw/zinc/57/96/38/988579638.db2.gz OUOUWQODWXQDIJ-HNNXBMFYSA-N -1 0 344.436 3.616 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@@](C)(C(=O)[O-])C1)c1cccc2ccccc21 ZINC001599838511 988784119 /nfs/dbraw/zinc/78/41/19/988784119.db2.gz IXTSRMOABOPCNU-JLTOFOAXSA-N -1 0 340.423 3.797 20 0 EHADRM C[C@@H](NC(=O)NCC(C)(C)CC(=O)[O-])c1ccc(Cl)cc1Cl ZINC001599839319 988797232 /nfs/dbraw/zinc/79/72/32/988797232.db2.gz ACHHJUWSNKJGRK-SECBINFHSA-N -1 0 347.242 3.855 20 0 EHADRM CCc1nc(NC(=O)c2cc(C)ccc2NC2CC2)sc1C(=O)[O-] ZINC001597682251 988821691 /nfs/dbraw/zinc/82/16/91/988821691.db2.gz VJWSWWSDBGUKOC-UHFFFAOYSA-N -1 0 345.424 3.539 20 0 EHADRM C[C@@H](NCc1nc2cc(C(=O)[O-])ccc2[nH]1)c1ccc(Cl)s1 ZINC001599841654 988847627 /nfs/dbraw/zinc/84/76/27/988847627.db2.gz AUXWXAPIUKZVFA-MRVPVSSYSA-N -1 0 335.816 3.827 20 0 EHADRM CCc1nc(S[C@@H](Cc2ccc(F)cc2)C(=O)[O-])sc1C ZINC001597689012 988855008 /nfs/dbraw/zinc/85/50/08/988855008.db2.gz BAOZBKYIOQZUHV-ZDUSSCGKSA-N -1 0 325.430 3.941 20 0 EHADRM CCc1ncc(CNc2ccc(N3CCCCC3)c(C(=O)[O-])c2)o1 ZINC001597700429 988921264 /nfs/dbraw/zinc/92/12/64/988921264.db2.gz OKJIAKDNOAMMKQ-UHFFFAOYSA-N -1 0 329.400 3.538 20 0 EHADRM CCc1ncnc(N[C@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])c1F ZINC001597709173 988958012 /nfs/dbraw/zinc/95/80/12/988958012.db2.gz JJPSCCJZMCSKEA-XJKSGUPXSA-N -1 0 343.402 3.553 20 0 EHADRM C[C@@H]1CN(C(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)C[C@H]1CC(=O)[O-] ZINC001599852383 989033948 /nfs/dbraw/zinc/03/39/48/989033948.db2.gz ABUCJWZWRKMILZ-HUUCEWRRSA-N -1 0 343.467 3.585 20 0 EHADRM CCc1nnc(CSCc2cc(C(=O)[O-])ccc2Cl)s1 ZINC001597731147 989052848 /nfs/dbraw/zinc/05/28/48/989052848.db2.gz WQMCHEPTUKSRSM-UHFFFAOYSA-N -1 0 328.846 3.886 20 0 EHADRM CC(C)(C)OC(=O)N1CCN(CCC(C)(C)C(=O)[O-])c2ccccc21 ZINC001590059085 989105989 /nfs/dbraw/zinc/10/59/89/989105989.db2.gz WENPFMQSZRTGNE-UHFFFAOYSA-N -1 0 348.443 3.749 20 0 EHADRM CCc1nocc1CN(C)[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001597756491 989172408 /nfs/dbraw/zinc/17/24/08/989172408.db2.gz JOWNFCOGGWEMJE-CQSZACIVSA-N -1 0 342.317 3.514 20 0 EHADRM CC(C)(C)OC(=O)NC(C)(C)c1ccc(NC2CC(C(=O)[O-])C2)cc1 ZINC001590113650 989298825 /nfs/dbraw/zinc/29/88/25/989298825.db2.gz UXCARVZOBAUSFU-UHFFFAOYSA-N -1 0 348.443 3.722 20 0 EHADRM CCc1oc(CNCc2csc(-c3ccccc3)n2)cc1C(=O)[O-] ZINC001597806063 989417961 /nfs/dbraw/zinc/41/79/61/989417961.db2.gz VVKJKVQQCDMTGK-UHFFFAOYSA-N -1 0 342.420 3.954 20 0 EHADRM C[C@@H]1C[C@H](C(=O)Oc2cccc(C3CCCCC3)c2)O[C@H]1C(=O)[O-] ZINC001599879528 989465841 /nfs/dbraw/zinc/46/58/41/989465841.db2.gz VUZHAZBVLHCUNY-CSMYWGQOSA-N -1 0 332.396 3.518 20 0 EHADRM CCn1c(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])cc2ccccc21 ZINC001597837417 989529096 /nfs/dbraw/zinc/52/90/96/989529096.db2.gz YJXRIGFEHAOFNB-INIZCTEOSA-N -1 0 342.439 3.815 20 0 EHADRM CCn1c(N[C@@H](C)c2ncc(C(=O)[O-])s2)nc2cc(F)ccc21 ZINC001597860518 989635459 /nfs/dbraw/zinc/63/54/59/989635459.db2.gz SMQINJFUSRUBGU-QMMMGPOBSA-N -1 0 334.376 3.523 20 0 EHADRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc(C3CC3)[nH]n2)cc1Cl ZINC000339679232 1015496234 /nfs/dbraw/zinc/49/62/34/1015496234.db2.gz ABVRUKLJEUSOES-UHFFFAOYSA-N -1 0 346.239 3.703 20 0 EHADRM CCn1ccnc1[C@@H]1CCCCN1Cc1ccc(C(=O)[O-])c(C)c1 ZINC001597916544 989835827 /nfs/dbraw/zinc/83/58/27/989835827.db2.gz OVFAFLSXUYIWPK-KRWDZBQOSA-N -1 0 327.428 3.637 20 0 EHADRM CC(C)(C)OCc1ccc(NC(=O)Nc2cccc(C(=O)[O-])n2)cc1 ZINC001590396441 989922219 /nfs/dbraw/zinc/92/22/19/989922219.db2.gz TWGFLWASGBSUPG-UHFFFAOYSA-N -1 0 343.383 3.739 20 0 EHADRM CC(C)(C)O[C@@H]1C[C@H]1C(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001590397679 989927855 /nfs/dbraw/zinc/92/78/55/989927855.db2.gz WBKFCRXPLZHCTF-BZUAXINKSA-N -1 0 332.396 3.509 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)Nc2c(F)cccc2C(=O)[O-])cc1 ZINC001590409916 989949805 /nfs/dbraw/zinc/94/98/05/989949805.db2.gz PFYOIUXCHFPORA-UHFFFAOYSA-N -1 0 331.343 3.954 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)Nc2cccc(CCC(=O)[O-])c2)n1 ZINC001590415924 989953775 /nfs/dbraw/zinc/95/37/75/989953775.db2.gz AWNAFHLJUZTIBF-UHFFFAOYSA-N -1 0 342.395 3.528 20 0 EHADRM CC(C)(C)Oc1cccc(COC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC001590419848 989961887 /nfs/dbraw/zinc/96/18/87/989961887.db2.gz JBFVIRNIDIMSGU-LSDHHAIUSA-N -1 0 334.412 3.798 20 0 EHADRM CC(C)(C)Oc1cccc(NC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)c1 ZINC001590420140 989962889 /nfs/dbraw/zinc/96/28/89/989962889.db2.gz NVHSYYBHVKANBA-DJJJIMSYSA-N -1 0 346.427 3.583 20 0 EHADRM CC(C)(C)c1ccc(C(=O)COc2cnc(Cl)cc2C(=O)[O-])cc1 ZINC001590472071 990042451 /nfs/dbraw/zinc/04/24/51/990042451.db2.gz HRFRWJRMWVPKSI-UHFFFAOYSA-N -1 0 347.798 3.992 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])cc1Cl ZINC001590472140 990043671 /nfs/dbraw/zinc/04/36/71/990043671.db2.gz KJUHGLNTUNSFLD-LBPRGKRZSA-N -1 0 345.773 3.572 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)OCCCF)cc1 ZINC001590479579 990053767 /nfs/dbraw/zinc/05/37/67/990053767.db2.gz BMCZQHNWKGHGJR-AWEZNQCLSA-N -1 0 325.380 3.586 20 0 EHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H]2CCCSC2)cc1 ZINC001590481471 990072755 /nfs/dbraw/zinc/07/27/55/990072755.db2.gz DDDCULACHINXIX-GOEBONIOSA-N -1 0 349.496 3.759 20 0 EHADRM CN(C(=O)[C@H](c1ccncc1)C1CCCCC1)C1(C(=O)[O-])CCCC1 ZINC001597991525 990095209 /nfs/dbraw/zinc/09/52/09/990095209.db2.gz OTJADKUAJWPOPG-KRWDZBQOSA-N -1 0 344.455 3.601 20 0 EHADRM CC(C)(C)c1ccc(O)c(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)c1 ZINC001590494369 990101465 /nfs/dbraw/zinc/10/14/65/990101465.db2.gz ZQVKGHGETGPZIS-UHFFFAOYSA-N -1 0 331.412 3.663 20 0 EHADRM CC(C)(C)c1cccc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])c1 ZINC001590498801 990110222 /nfs/dbraw/zinc/11/02/22/990110222.db2.gz JCQCLDJBZXDNAU-KRWDZBQOSA-N -1 0 343.398 3.549 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCN2C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001590500071 990113912 /nfs/dbraw/zinc/11/39/12/990113912.db2.gz AUOFWVGPWZICST-CJNGLKHVSA-N -1 0 344.455 3.700 20 0 EHADRM CN(C(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)c1ccccc1C(=O)[O-] ZINC001597998418 990124334 /nfs/dbraw/zinc/12/43/34/990124334.db2.gz MFFYGQPAUMMXID-VXGBXAGGSA-N -1 0 349.308 3.569 20 0 EHADRM CN(C(=O)C[C@@H]1C=CCC1)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598008332 990170773 /nfs/dbraw/zinc/17/07/73/990170773.db2.gz VQDRBNVXXKFOSM-BMIGLBTASA-N -1 0 342.222 3.934 20 0 EHADRM CC(C)(C)c1nc(NC(=O)[C@H]2C[C@@H]2C2CCCC2)sc1C(=O)[O-] ZINC001590542528 990173609 /nfs/dbraw/zinc/17/36/09/990173609.db2.gz YWEPFRPIANPAHQ-MNOVXSKESA-N -1 0 336.457 3.904 20 0 EHADRM CC(C)(C)c1nc(NC(=O)[C@@H]2Cc3ccc(F)cc32)sc1C(=O)[O-] ZINC001590545498 990182448 /nfs/dbraw/zinc/18/24/48/990182448.db2.gz YDBBLJRYZZPQJI-LLVKDONJSA-N -1 0 348.399 3.556 20 0 EHADRM CC(C)(C)c1ncc(CN2CCCCc3cc(C(=O)[O-])ccc32)cn1 ZINC001590556383 990196704 /nfs/dbraw/zinc/19/67/04/990196704.db2.gz QDIIUPWNYRQZSZ-UHFFFAOYSA-N -1 0 339.439 3.815 20 0 EHADRM CC(C)(C)c1ncc(/C=C/C(=O)Oc2ccc(CC(=O)[O-])cc2)s1 ZINC001590556568 990197684 /nfs/dbraw/zinc/19/76/84/990197684.db2.gz VSUCLNNCPWABRY-CMDGGOBGSA-N -1 0 345.420 3.687 20 0 EHADRM CC(C)(C)c1ncsc1C(=O)OCc1ccc(C(=O)[O-])cc1F ZINC001590571495 990207969 /nfs/dbraw/zinc/20/79/69/990207969.db2.gz BGSLALQMBQFCJK-UHFFFAOYSA-N -1 0 337.372 3.635 20 0 EHADRM CN(C(=O)Cc1ccc(C(=O)[O-])cc1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC001598034306 990259188 /nfs/dbraw/zinc/25/91/88/990259188.db2.gz JAKNNUJNMDHEAO-KGLIPLIRSA-N -1 0 343.345 3.507 20 0 EHADRM CN(C(=O)Nc1ccc(C(=O)[O-])cn1)[C@H]1CCC[C@H]1c1ccccc1 ZINC001598057112 990322757 /nfs/dbraw/zinc/32/27/57/990322757.db2.gz OAHOEDOMMDUUFK-HOTGVXAUSA-N -1 0 339.395 3.580 20 0 EHADRM CN(C(=O)Nc1cccc(CCC(F)(F)F)c1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598061488 990334117 /nfs/dbraw/zinc/33/41/17/990334117.db2.gz IDODHCKGLNSVIU-BJHJDKERSA-N -1 0 344.333 3.508 20 0 EHADRM CN(C(=O)c1ccc(C(C)(F)F)cc1)[C@H](C(=O)[O-])c1ccccc1 ZINC001598083485 990411913 /nfs/dbraw/zinc/41/19/13/990411913.db2.gz ZWEDYKUIUKJTIB-HNNXBMFYSA-N -1 0 333.334 3.696 20 0 EHADRM CC(C)(CCS(=O)(=O)Oc1ccc(C(=O)[O-])cc1Cl)C1CC1 ZINC001590694611 990413908 /nfs/dbraw/zinc/41/39/08/990413908.db2.gz UUMLBMVWUAUDLU-UHFFFAOYSA-N -1 0 346.832 3.573 20 0 EHADRM CC(C)(CNC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)CC(=O)[O-] ZINC001590708366 990458733 /nfs/dbraw/zinc/45/87/33/990458733.db2.gz XNNKUKUMGBOFRS-OLZOCXBDSA-N -1 0 344.238 3.714 20 0 EHADRM CC(C)(CNC(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1)CC(=O)[O-] ZINC001590723754 990506327 /nfs/dbraw/zinc/50/63/27/990506327.db2.gz CYPTZCZFDQDZDI-IRXDYDNUSA-N -1 0 346.471 3.588 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1)C1CCC1 ZINC001590738186 990531418 /nfs/dbraw/zinc/53/14/18/990531418.db2.gz GGJPPANAOLRVSB-UHFFFAOYSA-N -1 0 329.400 3.814 20 0 EHADRM CC(C)(CNc1cc(C(F)(F)F)c(C(=O)[O-])cn1)c1ccccn1 ZINC001590774369 990578291 /nfs/dbraw/zinc/57/82/91/990578291.db2.gz UGHDHNKVXAVPQT-UHFFFAOYSA-N -1 0 339.317 3.583 20 0 EHADRM CC(C)(Cc1ccccc1Cl)NC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001590827767 990677965 /nfs/dbraw/zinc/67/79/65/990677965.db2.gz ZFZRMOMXLSNORK-BQYQJAHWSA-N -1 0 347.798 3.782 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)C1(C)C ZINC001590914241 990897120 /nfs/dbraw/zinc/89/71/20/990897120.db2.gz CPWDDGLMVRKRCB-NCOADZHNSA-N -1 0 327.424 3.654 20 0 EHADRM COc1cccc2c1CC[C@H](Nc1ccc(C[C@H](C)C(=O)[O-])cc1)C2 ZINC001599689719 991047445 /nfs/dbraw/zinc/04/74/45/991047445.db2.gz LTHQYYLZAZHWBY-KSSFIOAISA-N -1 0 339.435 3.928 20 0 EHADRM CC(C)C(C)(C)Cn1c(C2CCC2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001590963559 991065286 /nfs/dbraw/zinc/06/52/86/991065286.db2.gz HYGCGJSNZCLWAJ-UHFFFAOYSA-N -1 0 348.491 3.529 20 0 EHADRM COc1cccc2c1CC[C@@H]2OC(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001599690784 991065919 /nfs/dbraw/zinc/06/59/19/991065919.db2.gz SUVKYNWQNDOSMV-KRWDZBQOSA-N -1 0 326.348 3.546 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001590967798 991086512 /nfs/dbraw/zinc/08/65/12/991086512.db2.gz IBLVHVQNKUWWRP-OHHNFCFSSA-N -1 0 343.467 3.507 20 0 EHADRM COc1cccc2cc(C(=O)Nc3cc(C(=O)[O-])c(F)cc3F)oc21 ZINC001599692581 991093810 /nfs/dbraw/zinc/09/38/10/991093810.db2.gz NEDGOCAHJCVLEF-UHFFFAOYSA-N -1 0 347.273 3.670 20 0 EHADRM COc1cccc2cc(C(=O)Nc3ccc(F)c(C(=O)[O-])c3F)oc21 ZINC001599693612 991111749 /nfs/dbraw/zinc/11/17/49/991111749.db2.gz XSUCRVUOOPQESB-UHFFFAOYSA-N -1 0 347.273 3.670 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001599696602 991158144 /nfs/dbraw/zinc/15/81/44/991158144.db2.gz FDRIFPVNZMTSDP-UHFFFAOYSA-N -1 0 349.333 3.588 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)O[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001599696756 991160127 /nfs/dbraw/zinc/16/01/27/991160127.db2.gz ARAPWMMCRJZLKX-RYUDHWBXSA-N -1 0 332.352 3.784 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001590993052 991210078 /nfs/dbraw/zinc/21/00/78/991210078.db2.gz FOZUGSCEPLIEDS-QGZVFWFLSA-N -1 0 344.386 3.913 20 0 EHADRM COc1ccccc1[C@@H](Nc1nc(C)cc(C(=O)[O-])n1)c1ccccc1 ZINC001599700692 991213732 /nfs/dbraw/zinc/21/37/32/991213732.db2.gz ZBJJOJQPRYJNJD-SFHVURJKSA-N -1 0 349.390 3.693 20 0 EHADRM COc1ccccc1C1(c2noc([C@H]3CCC[C@@H](C(=O)[O-])C3)n2)CC1 ZINC001599704233 991268958 /nfs/dbraw/zinc/26/89/58/991268958.db2.gz MYVXCAWFNFCTPG-QWHCGFSZSA-N -1 0 342.395 3.517 20 0 EHADRM CC(C)C(NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])C(C)C ZINC001591008054 991275628 /nfs/dbraw/zinc/27/56/28/991275628.db2.gz UUGWLMXYFMVIQE-MRXNPFEDSA-N -1 0 334.460 3.818 20 0 EHADRM COc1ccccc1CCCN1C[C@H](CC(=O)[O-])c2ccccc21 ZINC001599708479 991329537 /nfs/dbraw/zinc/32/95/37/991329537.db2.gz DWFSMBNUOWQIJG-INIZCTEOSA-N -1 0 325.408 3.706 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)Nc1scc(C)c1C(=O)[O-] ZINC001599708942 991338035 /nfs/dbraw/zinc/33/80/35/991338035.db2.gz MYPYWKRIDAFFDY-NSHDSACASA-N -1 0 347.436 3.971 20 0 EHADRM CN(C)c1ccc(NCc2c3ccccc3[nH]c2C(=O)[O-])cc1F ZINC001598325579 991343666 /nfs/dbraw/zinc/34/36/66/991343666.db2.gz OZFZOLXAHQBYPQ-UHFFFAOYSA-N -1 0 327.359 3.683 20 0 EHADRM CC(C)[C@H]1C[C@H](CC(=O)Nc2cccc(C(=O)[O-])c2Cl)CCO1 ZINC001591073361 991541395 /nfs/dbraw/zinc/54/13/95/991541395.db2.gz WURFPTIHSLKAIU-BXUZGUMPSA-N -1 0 339.819 3.818 20 0 EHADRM CC(C)[C@H]1C[C@@H](CNc2ncc(C(=O)[O-])cc2C(F)(F)F)CCO1 ZINC001591074331 991549994 /nfs/dbraw/zinc/54/99/94/991549994.db2.gz IOBRWYPQKUBIKH-GXFFZTMASA-N -1 0 346.349 3.662 20 0 EHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)CC1 ZINC001591080713 991585126 /nfs/dbraw/zinc/58/51/26/991585126.db2.gz BKMHBYMRZJAIMB-ZACQAIPSSA-N -1 0 338.492 3.878 20 0 EHADRM CC(C)[C@H]1CCCN1C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001591086679 991602113 /nfs/dbraw/zinc/60/21/13/991602113.db2.gz AYDPWACOPSVBIC-GFCCVEGCSA-N -1 0 328.771 3.830 20 0 EHADRM CC(C)[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])cc2N(C)C)CC1 ZINC001591087361 991607109 /nfs/dbraw/zinc/60/71/09/991607109.db2.gz JTBXNQXZWZYBJO-CQSZACIVSA-N -1 0 347.459 3.741 20 0 EHADRM COc1cnc2ccccc2c1C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001599725294 991611219 /nfs/dbraw/zinc/61/12/19/991611219.db2.gz DKGCURMBXXXBJI-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM COc1cncc(/C=C/CCNc2cccc([C@H](C)C(=O)[O-])c2)c1 ZINC001599726754 991640598 /nfs/dbraw/zinc/64/05/98/991640598.db2.gz SRECUVYDURCNLQ-ZRFDWSJLSA-N -1 0 326.396 3.794 20 0 EHADRM CC(C)[C@H]1CN(C(=O)c2cc(F)cc(C(=O)[O-])c2)c2ccccc21 ZINC001591093204 991654576 /nfs/dbraw/zinc/65/45/76/991654576.db2.gz LUFKWXIYOLSEDS-MRXNPFEDSA-N -1 0 327.355 3.924 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)Nc2cc(C(=O)[O-])cnc2Cl)[C@@H]1C(C)C ZINC001591093708 991662195 /nfs/dbraw/zinc/66/21/95/991662195.db2.gz ZKGJLIHQSKHHFM-WCQYABFASA-N -1 0 339.823 3.578 20 0 EHADRM CC(C)[C@H]1N(C(=O)Nc2cccc(CCC(=O)[O-])c2)CC12CC=CC2 ZINC001591098654 991703581 /nfs/dbraw/zinc/70/35/81/991703581.db2.gz HOVXINDTEWFABB-GOSISDBHSA-N -1 0 342.439 3.912 20 0 EHADRM CC(C)[C@H]1N(C(=O)c2ccoc2CC(=O)[O-])CC12CCCCCC2 ZINC001591100172 991720552 /nfs/dbraw/zinc/72/05/52/991720552.db2.gz UXJQJBUXUILBKN-QGZVFWFLSA-N -1 0 333.428 3.728 20 0 EHADRM CC(C)[C@@H]1OCCC[C@@H]1CNc1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001591105587 991734263 /nfs/dbraw/zinc/73/42/63/991734263.db2.gz VFJDIWGAUBAPLK-YGRLFVJLSA-N -1 0 346.349 3.662 20 0 EHADRM CC(C)C[C@@H](C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)c1ccccc1 ZINC001591117532 991775583 /nfs/dbraw/zinc/77/55/83/991775583.db2.gz CJJXHGKHCCHOMO-HLIPFELVSA-N -1 0 329.440 3.672 20 0 EHADRM CN(CC(F)(F)F)C(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001598430186 991791853 /nfs/dbraw/zinc/79/18/53/991791853.db2.gz WDDVHQWXHLAZPR-UHFFFAOYSA-N -1 0 337.297 3.686 20 0 EHADRM CC(C)C[C@@H](C)C(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001591130504 991822913 /nfs/dbraw/zinc/82/29/13/991822913.db2.gz IYHRCTATFDXPSX-GFCCVEGCSA-N -1 0 346.452 3.807 20 0 EHADRM CC(C)C[C@H](C)C(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC001591131218 991825987 /nfs/dbraw/zinc/82/59/87/991825987.db2.gz RTTUJXVWRZCIFM-LBPRGKRZSA-N -1 0 345.361 3.801 20 0 EHADRM CC(C)CC1(CNC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)CCCC1 ZINC001591196779 992014127 /nfs/dbraw/zinc/01/41/27/992014127.db2.gz MOAJHRXFVJHEOQ-DYESRHJHSA-N -1 0 343.467 3.968 20 0 EHADRM CN(CCC(C)(C)C)S(=O)(=O)c1cccc2c(C(=O)[O-])cccc21 ZINC001598471928 992039151 /nfs/dbraw/zinc/03/91/51/992039151.db2.gz DKOCMPFSAPAQFD-UHFFFAOYSA-N -1 0 349.452 3.595 20 0 EHADRM CC(C)CC[C@@H](C)NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001591217004 992071642 /nfs/dbraw/zinc/07/16/42/992071642.db2.gz CEPJBSPVWPHKRM-GDBMZVCRSA-N -1 0 334.460 3.962 20 0 EHADRM CC(C)CCC[NH+]1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC001591238722 992126058 /nfs/dbraw/zinc/12/60/58/992126058.db2.gz QWFUXWRGGQSPMH-KRWDZBQOSA-N -1 0 338.879 3.520 20 0 EHADRM CC(C)CN(C(=O)[C@H]1CC[C@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001591280148 992206182 /nfs/dbraw/zinc/20/61/82/992206182.db2.gz CRONKWWYFARCAX-UONOGXRCSA-N -1 0 343.345 3.805 20 0 EHADRM CN(CCN(C)[C@@H](C(=O)[O-])c1ccccc1Cl)c1ccccc1 ZINC001598485969 992207502 /nfs/dbraw/zinc/20/75/02/992207502.db2.gz IBEPBSLMOMRNRL-QGZVFWFLSA-N -1 0 332.831 3.534 20 0 EHADRM CC(C)CN(C(=O)c1ccc(-c2ccco2)s1)C(C)(C)C(=O)[O-] ZINC001591284600 992219705 /nfs/dbraw/zinc/21/97/05/992219705.db2.gz AZAOXBMEVBQLEJ-UHFFFAOYSA-N -1 0 335.425 3.970 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)CCc1ccc(-c2ccccc2F)o1 ZINC001591294338 992243689 /nfs/dbraw/zinc/24/36/89/992243689.db2.gz GVWPXSBTCUZVCR-UHFFFAOYSA-N -1 0 347.386 3.588 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)Cc1cc2ccccc2o1 ZINC001591309376 992266130 /nfs/dbraw/zinc/26/61/30/992266130.db2.gz UVPVFBUUMOOWBA-UHFFFAOYSA-N -1 0 331.412 3.571 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C1CCc2ccccc2CC1 ZINC001591309667 992268144 /nfs/dbraw/zinc/26/81/44/992268144.db2.gz DNEOEJMHLUCAID-UHFFFAOYSA-N -1 0 345.483 3.777 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001591310418 992272234 /nfs/dbraw/zinc/27/22/34/992272234.db2.gz YXSBQTQFEUZQMT-IAGOWNOFSA-N -1 0 349.446 3.915 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1ccc(F)c2ccncc12 ZINC001591313047 992274440 /nfs/dbraw/zinc/27/44/40/992274440.db2.gz JKXGIPDXXFNATF-UHFFFAOYSA-N -1 0 346.402 3.583 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1cc(O)c2ccccc2c1 ZINC001591313319 992276253 /nfs/dbraw/zinc/27/62/53/992276253.db2.gz VSYCTZCDVUXYHB-UHFFFAOYSA-N -1 0 343.423 3.754 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)/C=C/Sc1cc(F)ccc1F ZINC001591323516 992296156 /nfs/dbraw/zinc/29/61/56/992296156.db2.gz KRXANEQPMGYROI-SOFGYWHQSA-N -1 0 343.395 3.530 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)c1cc2c(s1)CCCCCC2 ZINC001591324156 992298179 /nfs/dbraw/zinc/29/81/79/992298179.db2.gz DIQJVGVWLLOKMO-UHFFFAOYSA-N -1 0 337.485 3.980 20 0 EHADRM CS[C@@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC001599780318 992356247 /nfs/dbraw/zinc/35/62/47/992356247.db2.gz HZHBPWYILKAVGU-NVXWUHKLSA-N -1 0 347.411 3.562 20 0 EHADRM CS[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1)c1ccccc1 ZINC001599781221 992366419 /nfs/dbraw/zinc/36/64/19/992366419.db2.gz NQRVRILHVQMFTH-FUHWJXTLSA-N -1 0 343.448 3.731 20 0 EHADRM CS[C@H](C)CC(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1 ZINC001599782553 992384389 /nfs/dbraw/zinc/38/43/89/992384389.db2.gz FICTUQPTWRZGRK-MRVPVSSYSA-N -1 0 328.459 3.579 20 0 EHADRM CN(CCOc1ccccc1Cl)c1ncc(C(=O)[O-])cc1Cl ZINC001598499070 992405295 /nfs/dbraw/zinc/40/52/95/992405295.db2.gz GEQUWHBKUOTYEJ-UHFFFAOYSA-N -1 0 341.194 3.602 20 0 EHADRM CC(C)CO[C@H](C)C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)[O-] ZINC001591384623 992433719 /nfs/dbraw/zinc/43/37/19/992433719.db2.gz KCICJDYNQVCWTD-MRVPVSSYSA-N -1 0 334.199 3.691 20 0 EHADRM CC(C)CO[C@@H]1CCN([C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1 ZINC001591391240 992450834 /nfs/dbraw/zinc/45/08/34/992450834.db2.gz ICMRAVKQJVJLOQ-CABCVRRESA-N -1 0 345.361 3.578 20 0 EHADRM CC(C)COc1ccc(C(=O)Nc2c(F)ccc(F)c2C(=O)[O-])cc1 ZINC001591396843 992462175 /nfs/dbraw/zinc/46/21/75/992462175.db2.gz VATIEYRJIRLNOU-UHFFFAOYSA-N -1 0 349.333 3.950 20 0 EHADRM CC(C)COc1ccccc1-c1noc(-c2cc(C(=O)[O-])co2)n1 ZINC001591401828 992478241 /nfs/dbraw/zinc/47/82/41/992478241.db2.gz COHONFYYNUEFEF-UHFFFAOYSA-N -1 0 328.324 3.730 20 0 EHADRM CC(C)C[C@@H]1C[C@H]1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001591444641 992542063 /nfs/dbraw/zinc/54/20/63/992542063.db2.gz LFDWYXXXWXCAEF-HUUCEWRRSA-N -1 0 330.428 3.606 20 0 EHADRM CC(C)Cc1ccc(C(=O)N(CCc2ccccc2)CC(=O)[O-])cc1 ZINC001591477198 992597038 /nfs/dbraw/zinc/59/70/38/992597038.db2.gz KTIARDCHLQDNBI-UHFFFAOYSA-N -1 0 339.435 3.655 20 0 EHADRM CC(C)Cc1ccc(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)cc1 ZINC001591477173 992597140 /nfs/dbraw/zinc/59/71/40/992597140.db2.gz KEFZFWFJEHVWSK-UHFFFAOYSA-N -1 0 337.419 3.782 20 0 EHADRM CC(C)Cc1ccc(CCCC(=O)NCc2ccoc2C(=O)[O-])cc1 ZINC001591484147 992608358 /nfs/dbraw/zinc/60/83/58/992608358.db2.gz SMNOBIULDGIRMP-UHFFFAOYSA-N -1 0 343.423 3.815 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)N2CCCC[C@H]2CC(=O)[O-])c1 ZINC001591489332 992619789 /nfs/dbraw/zinc/61/97/89/992619789.db2.gz QGNKRQAWWPNVMM-QAPCUYQASA-N -1 0 331.456 3.844 20 0 EHADRM CC(C)Cc1ccccc1CNC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001591490586 992622646 /nfs/dbraw/zinc/62/26/46/992622646.db2.gz BHVAXSUIHXFPAX-UHFFFAOYSA-N -1 0 326.396 3.905 20 0 EHADRM CC(C)Cc1ccccc1CN1CCOc2ccccc2[C@H]1C(=O)[O-] ZINC001591490823 992624226 /nfs/dbraw/zinc/62/42/26/992624226.db2.gz IALCMZLMHYYZPE-FQEVSTJZSA-N -1 0 339.435 3.905 20 0 EHADRM CN(Cc1ccc(F)cn1)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598519007 992655826 /nfs/dbraw/zinc/65/58/26/992655826.db2.gz CJOBWDVWAMZRGL-CQSZACIVSA-N -1 0 343.185 3.785 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)ccc21 ZINC001591521698 992692259 /nfs/dbraw/zinc/69/22/59/992692259.db2.gz PWGCZKLEGAHYKI-CABCVRRESA-N -1 0 343.427 3.672 20 0 EHADRM CN(Cc1ccccc1NC[C@H]1[C@H](C(=O)[O-])C1(F)F)c1ccccc1 ZINC001598530429 992773274 /nfs/dbraw/zinc/77/32/74/992773274.db2.gz GPAVKDZLTPKUIX-DOTOQJQBSA-N -1 0 346.377 3.701 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@H]1CC(C)(C)C)c1ncc(C(=O)[O-])s1 ZINC001593061813 993571625 /nfs/dbraw/zinc/57/16/25/993571625.db2.gz DLZHPKDZKQCSBG-QWRGUYRKSA-N -1 0 339.461 3.513 20 0 EHADRM COc1ccc(N(CC(C)C)C(=O)c2cccc(CC(=O)[O-])c2)cc1 ZINC001599584124 993590365 /nfs/dbraw/zinc/59/03/65/993590365.db2.gz HRPNUGPWHWCLFX-UHFFFAOYSA-N -1 0 341.407 3.625 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000134792808 1015795095 /nfs/dbraw/zinc/79/50/95/1015795095.db2.gz HUXZHENSMICQSE-UHFFFAOYSA-N -1 0 348.255 3.815 20 0 EHADRM C[C@@H](NC(=O)NCC(C)(C)CC(=O)[O-])c1ccccc1C(F)(F)F ZINC001593082769 993674352 /nfs/dbraw/zinc/67/43/52/993674352.db2.gz OYPMHEVVWGFHSZ-SNVBAGLBSA-N -1 0 346.349 3.567 20 0 EHADRM C[C@H](NC(=O)NCC(C)(C)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001593085021 993691880 /nfs/dbraw/zinc/69/18/80/993691880.db2.gz ZARVAMLWKWBDMK-JTQLQIEISA-N -1 0 346.349 3.567 20 0 EHADRM COc1ccc(NC(=O)c2cc3sccc3c(O)c2)c(C(=O)[O-])c1 ZINC001599593588 993720093 /nfs/dbraw/zinc/72/00/93/993720093.db2.gz FFMYQGCQTYZSOV-UHFFFAOYSA-N -1 0 343.360 3.566 20 0 EHADRM COc1ccc(N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1OC(C)C ZINC001599596484 993755662 /nfs/dbraw/zinc/75/56/62/993755662.db2.gz DUZGJPPNJMDHGM-QGZVFWFLSA-N -1 0 333.359 3.859 20 0 EHADRM C[C@@H](NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1)c1cccc2ccccc21 ZINC001593108312 993763482 /nfs/dbraw/zinc/76/34/82/993763482.db2.gz IOTCUTVFKWMJFT-FMKPAKJESA-N -1 0 340.423 3.843 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(OCCC(=O)[O-])cc1)[C@@]12C[C@@H]1CCCC2 ZINC001593115905 993803739 /nfs/dbraw/zinc/80/37/39/993803739.db2.gz SAJKZBOWWZGRQC-CKFHNAJUSA-N -1 0 346.427 3.630 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)c1ccccn1 ZINC001593118256 993826076 /nfs/dbraw/zinc/82/60/76/993826076.db2.gz HFRBJQQQYFERBX-SNVBAGLBSA-N -1 0 341.392 3.877 20 0 EHADRM COc1ccc(OCCS[C@@H](Cc2ccc(C)cc2)C(=O)[O-])cc1 ZINC001599607076 993900848 /nfs/dbraw/zinc/90/08/48/993900848.db2.gz VHHRMMGUMYCEPC-SFHVURJKSA-N -1 0 346.448 3.812 20 0 EHADRM C[C@@H](NC(=O)[C@]1(C)CC[C@H](C)C1(C)C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593140884 993924986 /nfs/dbraw/zinc/92/49/86/993924986.db2.gz RWPZMWVUACVDPI-GAPZROTKSA-N -1 0 345.483 3.897 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)N[C@@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC001593142077 993935832 /nfs/dbraw/zinc/93/58/32/993935832.db2.gz QTFNUMQUVDMHEU-DSLXNQLJSA-N -1 0 345.483 3.897 20 0 EHADRM C[C@@H](NC(=O)c1cc(F)cc(C(=O)[O-])c1)c1nc2ccccc2s1 ZINC001593156287 993973655 /nfs/dbraw/zinc/97/36/55/993973655.db2.gz RAKIAINMFMRLAV-SECBINFHSA-N -1 0 344.367 3.625 20 0 EHADRM C[C@](NC(=O)c1cc2ccccc2cc1F)(C(=O)[O-])c1ccccc1 ZINC001593156835 993979820 /nfs/dbraw/zinc/97/98/20/993979820.db2.gz OURGVBYUDOWIMG-HXUWFJFHSA-N -1 0 337.350 3.709 20 0 EHADRM C[C@H](NC(=O)c1ccc(Cl)cc1F)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593163791 994003525 /nfs/dbraw/zinc/00/35/25/994003525.db2.gz UHLJGQXSNWOZMB-NHYWBVRUSA-N -1 0 349.789 3.541 20 0 EHADRM COc1ccc([C@H](C)NC(=O)Nc2cccc(C(=O)[O-])c2)cc1C ZINC001599621487 994089587 /nfs/dbraw/zinc/08/95/87/994089587.db2.gz UFSCPUSXYLGTQM-LBPRGKRZSA-N -1 0 328.368 3.585 20 0 EHADRM C[C@H](NC(=O)c1cncc(C(=O)[O-])c1)c1ccc(F)c2ccccc21 ZINC001593185555 994099220 /nfs/dbraw/zinc/09/92/20/994099220.db2.gz ZSCWCCDHYKPZIP-NSHDSACASA-N -1 0 338.338 3.563 20 0 EHADRM C[C@H](N[C@@H](C(=O)[O-])c1ccccc1Cl)c1cc2cnccc2o1 ZINC001593195618 994148864 /nfs/dbraw/zinc/14/88/64/994148864.db2.gz RZFYZSAEDOLMSI-MGPLVRAMSA-N -1 0 330.771 3.958 20 0 EHADRM C[C@H](N[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl)c1cscn1 ZINC001593196979 994159636 /nfs/dbraw/zinc/15/96/36/994159636.db2.gz XMBCACSSEYLMCM-MADCSZMMSA-N -1 0 331.224 3.926 20 0 EHADRM C[C@H](N[C@@H](C)c1ccc(Br)cn1)c1ccc(C(=O)[O-])o1 ZINC001593198444 994171433 /nfs/dbraw/zinc/17/14/33/994171433.db2.gz REAQMYUFCKSVKM-IUCAKERBSA-N -1 0 339.189 3.547 20 0 EHADRM COc1ccc2c(c1)CCC[C@H]2CNc1ncc(C(=O)[O-])cc1Cl ZINC001599628553 994183874 /nfs/dbraw/zinc/18/38/74/994183874.db2.gz NUBIFGCMHFWOAU-LBPRGKRZSA-N -1 0 346.814 3.974 20 0 EHADRM COc1ccc2c(c1)CN(C(=O)Nc1c(C)sc(C)c1C(=O)[O-])C2 ZINC001599629923 994202315 /nfs/dbraw/zinc/20/23/15/994202315.db2.gz FKBOSNCEVVYNFT-UHFFFAOYSA-N -1 0 346.408 3.619 20 0 EHADRM COc1ccc2c(c1)CN([C@@H](C(=O)[O-])c1c(F)cccc1Cl)CC2 ZINC001599631007 994218121 /nfs/dbraw/zinc/21/81/21/994218121.db2.gz SNLAPJFCSHYVNV-QGZVFWFLSA-N -1 0 349.789 3.672 20 0 EHADRM C[C@H](N[C@H]1CC(C)(C)Oc2ccc(N)cc21)c1cc(C(=O)[O-])co1 ZINC001593208846 994232676 /nfs/dbraw/zinc/23/26/76/994232676.db2.gz GRIPBUDVSLAZLK-HZMBPMFUSA-N -1 0 330.384 3.513 20 0 EHADRM COc1ccc2c(c1)[C@H](NCc1cc(C(=O)[O-])ccc1Cl)CCO2 ZINC001599632269 994235754 /nfs/dbraw/zinc/23/57/54/994235754.db2.gz WIVFUIZKMPYNOL-MRXNPFEDSA-N -1 0 347.798 3.660 20 0 EHADRM COc1ccc2[nH]c(SCCc3ccccc3C(=O)[O-])nc2c1 ZINC001599635298 994277657 /nfs/dbraw/zinc/27/76/57/994277657.db2.gz TVYDZYGZAFIRRG-UHFFFAOYSA-N -1 0 328.393 3.605 20 0 EHADRM COc1ccc2cccc(CC(=O)N(C)c3ccccc3C(=O)[O-])c2c1 ZINC001599635577 994282544 /nfs/dbraw/zinc/28/25/44/994282544.db2.gz AAAIAXKNKSFDLL-UHFFFAOYSA-N -1 0 349.386 3.752 20 0 EHADRM COc1ccc2cc(C(=O)OCc3cc(C(=O)[O-])c(C)o3)ccc2c1 ZINC001599635536 994282898 /nfs/dbraw/zinc/28/28/98/994282898.db2.gz RGFKUOQBNOBBAN-UHFFFAOYSA-N -1 0 340.331 3.805 20 0 EHADRM COc1ccc2occ(C(=O)Nc3cc(C(=O)[O-])c(F)cc3F)c2c1 ZINC001599637705 994313097 /nfs/dbraw/zinc/31/30/97/994313097.db2.gz QRXIQEGQGOZOSI-UHFFFAOYSA-N -1 0 347.273 3.670 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC001599643632 994393093 /nfs/dbraw/zinc/39/30/93/994393093.db2.gz MHNLZXJZIQRGGC-SNVBAGLBSA-N -1 0 346.404 3.799 20 0 EHADRM COc1cccc(C(=O)[O-])c1CSC[C@@H]1OCCc2ccccc21 ZINC001599645751 994423009 /nfs/dbraw/zinc/42/30/09/994423009.db2.gz ZMDWWDWYCJJIOO-SFHVURJKSA-N -1 0 344.432 3.941 20 0 EHADRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)OCC2CCCCC2)c1 ZINC001599654432 994554778 /nfs/dbraw/zinc/55/47/78/994554778.db2.gz YRQGOAZDXFSYJY-IBGZPJMESA-N -1 0 349.427 3.692 20 0 EHADRM COc1cccc([C@H](C)C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)c1 ZINC001599654576 994556830 /nfs/dbraw/zinc/55/68/30/994556830.db2.gz RPYPCWVJELZNED-NSHDSACASA-N -1 0 345.420 3.858 20 0 EHADRM COc1cccc(/C(C)=C/C(=O)Nc2c(F)ccc(F)c2C(=O)[O-])c1 ZINC001599654617 994558453 /nfs/dbraw/zinc/55/84/53/994558453.db2.gz UWWPPBPXHFLBDK-CSKARUKUSA-N -1 0 347.317 3.714 20 0 EHADRM COc1cccc(/C(C)=C/C(=O)Nc2c(F)cccc2C(=O)[O-])c1 ZINC001599654662 994559108 /nfs/dbraw/zinc/55/91/08/994559108.db2.gz WQZCRBZMNPLFBI-PKNBQFBNSA-N -1 0 329.327 3.575 20 0 EHADRM COc1cccc([C@H](C)CC(=O)O[C@H](C)c2cc(C(=O)[O-])co2)c1 ZINC001599654984 994563229 /nfs/dbraw/zinc/56/32/29/994563229.db2.gz GLEKPGAEKFBYPH-VXGBXAGGSA-N -1 0 332.352 3.784 20 0 EHADRM COc1cccc(C(F)F)c1C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001599659055 994627747 /nfs/dbraw/zinc/62/77/47/994627747.db2.gz WALZNRGXSRHFQO-UHFFFAOYSA-N -1 0 335.306 3.892 20 0 EHADRM COc1cccc([C@@H](Sc2ncnc3ccccc32)C(=O)[O-])c1 ZINC001599660089 994642400 /nfs/dbraw/zinc/64/24/00/994642400.db2.gz BCBWTNFWQAIKFL-OAHLLOKOSA-N -1 0 326.377 3.556 20 0 EHADRM COc1cccc([C@H](Sc2nnc(-c3cccs3)o2)C(=O)[O-])c1 ZINC001599662394 994676378 /nfs/dbraw/zinc/67/63/78/994676378.db2.gz ZNWQVVMUJOVYOT-LBPRGKRZSA-N -1 0 348.405 3.725 20 0 EHADRM C[C@H](NCc1ccc(C(=O)[O-])[nH]1)c1ccc(C(F)(F)F)nc1Cl ZINC001593293763 994686595 /nfs/dbraw/zinc/68/65/95/994686595.db2.gz XVOHFLDJUKTAFX-ZETCQYMHSA-N -1 0 347.724 3.631 20 0 EHADRM C[C@](NCc1ncc(-c2ccccc2)s1)(C(=O)[O-])c1ccccc1 ZINC001593317882 994823899 /nfs/dbraw/zinc/82/38/99/994823899.db2.gz WEIYDXJTCVJIPO-LJQANCHMSA-N -1 0 338.432 3.900 20 0 EHADRM C[C@@H](N[C@@H](C)c1ccc(C(F)(F)F)nc1)c1cc(C(=O)[O-])co1 ZINC001593353102 994972966 /nfs/dbraw/zinc/97/29/66/994972966.db2.gz MWVIGGYSRITEAI-DTWKUNHWSA-N -1 0 328.290 3.803 20 0 EHADRM CO/C(=C\c1ccccc1)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC001598684328 994983249 /nfs/dbraw/zinc/98/32/49/994983249.db2.gz JFNAXWSATGSWIC-IGWPVBGESA-N -1 0 325.364 3.501 20 0 EHADRM C[C@@H](Nc1ccccc1OC(F)F)c1ccccc1OCC(=O)[O-] ZINC001593367478 995058945 /nfs/dbraw/zinc/05/89/45/995058945.db2.gz OFKSWJNAFBYTFR-LLVKDONJSA-N -1 0 337.322 3.925 20 0 EHADRM C[C@H](Nc1ncnc2c(F)cccc12)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593373941 995070231 /nfs/dbraw/zinc/07/02/31/995070231.db2.gz LITKXOGCNOFKNA-WFASDCNBSA-N -1 0 339.370 3.513 20 0 EHADRM C[C@H](c1ccccc1C(F)(F)F)[C@H](C)Nc1ncc(C(=O)[O-])cn1 ZINC001593374666 995075215 /nfs/dbraw/zinc/07/52/15/995075215.db2.gz UYQXZUHNEJIXFQ-UWVGGRQHSA-N -1 0 339.317 3.798 20 0 EHADRM Cc1[nH]c2ccc(C(=O)N3CCC[C@H](C(C)(C)C(=O)[O-])C3)cc2c1C ZINC000327065134 1015930783 /nfs/dbraw/zinc/93/07/83/1015930783.db2.gz PMCGDHORZIJJJH-HNNXBMFYSA-N -1 0 342.439 3.748 20 0 EHADRM CCCCOc1ccc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000327048361 1015933392 /nfs/dbraw/zinc/93/33/92/1015933392.db2.gz MGKYOWLTEQOTJK-MRXNPFEDSA-N -1 0 347.455 3.829 20 0 EHADRM COC(=O)[C@H](N[C@@H](c1ccccc1)C(C)C)c1cccc(C(=O)[O-])c1 ZINC001598708593 995319781 /nfs/dbraw/zinc/31/97/81/995319781.db2.gz NVBKIKUZCSMCTO-QZTJIDSGSA-N -1 0 341.407 3.586 20 0 EHADRM C[C@@H](OC(=O)C(C)(C)CC(=O)[O-])c1cccc(Br)c1 ZINC001593484537 995442383 /nfs/dbraw/zinc/44/23/83/995442383.db2.gz JSXIYVMCKLMZKN-SECBINFHSA-N -1 0 329.190 3.554 20 0 EHADRM C[C@@H](OC(=O)[C@H](C)c1cn(C)c2ccccc12)c1cc(C(=O)[O-])co1 ZINC001593484766 995444420 /nfs/dbraw/zinc/44/44/20/995444420.db2.gz LOESHQOHJUOZER-VXGBXAGGSA-N -1 0 341.363 3.877 20 0 EHADRM C[C@H](OC(=O)[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12)c1cc(C(=O)[O-])co1 ZINC001593499645 995492872 /nfs/dbraw/zinc/49/28/72/995492872.db2.gz LFEYLKVLIPORRR-USTWMWSDSA-N -1 0 346.766 3.821 20 0 EHADRM C[C@H](OC(=O)C1CCC(C(F)(F)F)CC1)c1ccc(C(=O)[O-])o1 ZINC001593500133 995497202 /nfs/dbraw/zinc/49/72/02/995497202.db2.gz FAUHVAWSKHBGKY-IDKOKCKLSA-N -1 0 334.290 3.951 20 0 EHADRM C[C@@H](OC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ncc(C(C)(C)C)o1 ZINC001593512784 995518138 /nfs/dbraw/zinc/51/81/38/995518138.db2.gz BKTDAEXOUCQYIR-QEHWCHDUSA-N -1 0 333.340 3.581 20 0 EHADRM C[C@@H](OC(=O)CC1CC(c2ccccc2)C1)c1nc(C(=O)[O-])co1 ZINC001593515293 995539258 /nfs/dbraw/zinc/53/92/58/995539258.db2.gz MVBCNGHMSUGDPM-LKSINWNRSA-N -1 0 329.352 3.561 20 0 EHADRM C[C@H](OC(=O)C[C@]12CCCC[C@H]1C2(F)F)c1cc(C(=O)[O-])co1 ZINC001593517129 995552446 /nfs/dbraw/zinc/55/24/46/995552446.db2.gz UYFPXCQFOSYTJZ-TURKWSHLSA-N -1 0 328.311 3.798 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)c1F ZINC000180484253 1015956582 /nfs/dbraw/zinc/95/65/82/1015956582.db2.gz YMKGBVAQXFDAEK-UHFFFAOYSA-N -1 0 349.305 3.675 20 0 EHADRM C[C@H](OC(=O)c1ccc(OC(F)F)c(F)c1)c1cc(C(=O)[O-])co1 ZINC001593584146 995696742 /nfs/dbraw/zinc/69/67/42/995696742.db2.gz DUPICNTZLGQCAS-ZETCQYMHSA-N -1 0 344.241 3.636 20 0 EHADRM C[C@H](OC(=O)c1cccc(-n2cccc2)c1)c1ccc(C(=O)[O-])o1 ZINC001593585853 995704912 /nfs/dbraw/zinc/70/49/12/995704912.db2.gz MLQZHFGTOCZTSP-LBPRGKRZSA-N -1 0 325.320 3.687 20 0 EHADRM C[C@H](OC(=O)c1cccc(-n2cccc2)c1)c1cc(C(=O)[O-])co1 ZINC001593586101 995706196 /nfs/dbraw/zinc/70/61/96/995706196.db2.gz OIWTZIMFPLODFU-LBPRGKRZSA-N -1 0 325.320 3.687 20 0 EHADRM C[C@H](OC1CCCCC1)C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001593602432 995763404 /nfs/dbraw/zinc/76/34/04/995763404.db2.gz FHARULULCXKMLL-JTQLQIEISA-N -1 0 326.776 3.681 20 0 EHADRM C[C@H](OC1CCCCC1)C(=O)Nc1ncc(C(=O)[O-])c2ccccc21 ZINC001593603112 995767569 /nfs/dbraw/zinc/76/75/69/995767569.db2.gz PTHULEOGNHAZDS-LBPRGKRZSA-N -1 0 342.395 3.609 20 0 EHADRM C[C@H](OC1CCCCC1)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001593603616 995771431 /nfs/dbraw/zinc/77/14/31/995771431.db2.gz XXEYCQBDCVUKLO-VIFPVBQESA-N -1 0 343.782 3.854 20 0 EHADRM C[C@@H](OC1CCCCC1)C(=O)Nc1cccc(C(=O)[O-])c1Cl ZINC001593603670 995772172 /nfs/dbraw/zinc/77/21/72/995772172.db2.gz ZCDGEWSMKQVMFT-SNVBAGLBSA-N -1 0 325.792 3.715 20 0 EHADRM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001593611479 995808005 /nfs/dbraw/zinc/80/80/05/995808005.db2.gz CCPCKVVCDANTBF-LZWOXQAQSA-N -1 0 347.455 3.511 20 0 EHADRM C[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001593640772 995947745 /nfs/dbraw/zinc/94/77/45/995947745.db2.gz PWGMFPJUMOYDLX-CQSZACIVSA-N -1 0 349.386 3.873 20 0 EHADRM C[C@@H](Oc1ccccc1)C(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1 ZINC001593641152 995949007 /nfs/dbraw/zinc/94/90/07/995949007.db2.gz WOOOWQNJBTWLFB-NVXWUHKLSA-N -1 0 347.455 3.774 20 0 EHADRM C[C@@H](SCc1ccc(C(=O)[O-])c(Cl)c1)C(=O)N1CCCCC1 ZINC001593661644 996038989 /nfs/dbraw/zinc/03/89/89/996038989.db2.gz JWCHTVBTVNNBHE-LLVKDONJSA-N -1 0 341.860 3.672 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC001593663607 996045270 /nfs/dbraw/zinc/04/52/70/996045270.db2.gz PUXZZJBBAHAJNI-NSHDSACASA-N -1 0 333.384 3.784 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)O[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593664024 996048415 /nfs/dbraw/zinc/04/84/15/996048415.db2.gz WQHFWQQVTIOWFG-YOEHRIQHSA-N -1 0 344.432 3.547 20 0 EHADRM C[C@@H](Sc1ccc(F)cc1)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC001593667053 996055081 /nfs/dbraw/zinc/05/50/81/996055081.db2.gz JJMWIWRCKDMBQZ-ABAIWWIYSA-N -1 0 345.395 3.521 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)Nc1ccc2cc[nH]c2c1)C(=O)[O-] ZINC001593672546 996077150 /nfs/dbraw/zinc/07/71/50/996077150.db2.gz VQXRSFHOVPPPBG-LLVKDONJSA-N -1 0 340.404 3.985 20 0 EHADRM CC(C)[C@@H]1CCCCN1C(=O)c1cccc(Br)c1[O-] ZINC000536689404 1032134807 /nfs/dbraw/zinc/13/48/07/1032134807.db2.gz ONRHFASOPICQBW-ZDUSSCGKSA-N -1 0 326.234 3.805 20 0 EHADRM C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001593687262 996126570 /nfs/dbraw/zinc/12/65/70/996126570.db2.gz OYDJXCLAGXCQKT-LLVKDONJSA-N -1 0 348.349 3.817 20 0 EHADRM C[C@H](c1cc(F)ccc1F)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001593687907 996128784 /nfs/dbraw/zinc/12/87/84/996128784.db2.gz WAOIFQIPQCDLBH-SNVBAGLBSA-N -1 0 335.325 3.921 20 0 EHADRM C[C@H](c1ccc(C(=O)[O-])o1)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC001593691117 996138548 /nfs/dbraw/zinc/13/85/48/996138548.db2.gz ZVHAOAFIANZOQU-CYBMUJFWSA-N -1 0 348.830 3.510 20 0 EHADRM C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001593705706 996192321 /nfs/dbraw/zinc/19/23/21/996192321.db2.gz KJQWSRSHCXZXJX-BZZMCLGOSA-N -1 0 329.440 3.672 20 0 EHADRM C[C@@H](c1ccccc1F)N(C)Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001593717775 996236851 /nfs/dbraw/zinc/23/68/51/996236851.db2.gz RVJUHUUBHFOOPJ-NSHDSACASA-N -1 0 327.359 3.593 20 0 EHADRM C[C@@]1(Br)C[C@H]1C(=O)Oc1cc2ccccc2cc1C(=O)[O-] ZINC001593739126 996351622 /nfs/dbraw/zinc/35/16/22/996351622.db2.gz DEMTVBGVZIUFNS-BLLLJJGKSA-N -1 0 349.180 3.617 20 0 EHADRM COC(=O)CC(C)(C)C[C@H](C)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001598834225 996468100 /nfs/dbraw/zinc/46/81/00/996468100.db2.gz RADVYTVDVHZHBQ-KGLIPLIRSA-N -1 0 335.444 3.730 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC001593772921 996469828 /nfs/dbraw/zinc/46/98/28/996469828.db2.gz MUCBLCKNPXOJRE-CQSZACIVSA-N -1 0 349.736 3.686 20 0 EHADRM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001593825974 996570712 /nfs/dbraw/zinc/57/07/12/996570712.db2.gz OYMMNYJMSIKBAY-QMMMGPOBSA-N -1 0 336.335 3.641 20 0 EHADRM CC1(C)CC(=O)c2cnc(SCc3cccc(C(=O)[O-])c3)nc2C1 ZINC001593847353 996613749 /nfs/dbraw/zinc/61/37/49/996613749.db2.gz LCFWSPFZSYSMBW-UHFFFAOYSA-N -1 0 342.420 3.622 20 0 EHADRM CC1(C)C[C@H](c2ccccc2)CN1C(=O)Cc1cccc(C(=O)[O-])c1 ZINC001593863577 996663320 /nfs/dbraw/zinc/66/33/20/996663320.db2.gz JPPIOJYPDMSWSX-SFHVURJKSA-N -1 0 337.419 3.722 20 0 EHADRM CC1(C)CCC(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2O)CC1 ZINC001593874571 996691005 /nfs/dbraw/zinc/69/10/05/996691005.db2.gz MXWVMAUTTYYJMD-UHFFFAOYSA-N -1 0 325.792 3.899 20 0 EHADRM CC1(C)CCC(CNC(=O)NCCCCC2(C(=O)[O-])CCC2)CC1 ZINC001593878443 996703826 /nfs/dbraw/zinc/70/38/26/996703826.db2.gz RDMNSTJLEJKYSZ-UHFFFAOYSA-N -1 0 338.492 3.927 20 0 EHADRM CC1(C)CC[C@H](NC(=O)Nc2cc(C(=O)[O-])cc3cccnc32)C1 ZINC001593882050 996712958 /nfs/dbraw/zinc/71/29/58/996712958.db2.gz LZWGBXOLBBVING-ZDUSSCGKSA-N -1 0 327.384 3.633 20 0 EHADRM CC1(C)CC[C@@H]1C(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC001593883635 996717443 /nfs/dbraw/zinc/71/74/43/996717443.db2.gz NZQUMVRXMXWZSD-CYBMUJFWSA-N -1 0 343.345 3.555 20 0 EHADRM CC1(C)CCC[C@](NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)(C(=O)[O-])C1 ZINC001593890975 996734635 /nfs/dbraw/zinc/73/46/35/996734635.db2.gz HOSBYYQXZKWGJO-BFQNTYOBSA-N -1 0 349.393 3.895 20 0 EHADRM CC1(C)CCC[C@](NC(=O)[C@@H]2Cc3ccc(Cl)cc32)(C(=O)[O-])C1 ZINC001593891830 996738125 /nfs/dbraw/zinc/73/81/25/996738125.db2.gz OCHCZBMENHXVEY-RDTXWAMCSA-N -1 0 335.831 3.520 20 0 EHADRM CC1(C)CCC[C@@](NC(=O)Cc2ccc(F)c(Cl)c2)(C(=O)[O-])C1 ZINC001593892992 996745077 /nfs/dbraw/zinc/74/50/77/996745077.db2.gz ZTXBXCZFUIPOOO-KRWDZBQOSA-N -1 0 341.810 3.561 20 0 EHADRM CC1(C)CCC[C@@H]1[C@@H]1CCN(C(=O)Cc2ccccc2C(=O)[O-])C1 ZINC001593898789 996761659 /nfs/dbraw/zinc/76/16/59/996761659.db2.gz WUKKNGPSYLUECA-NVXWUHKLSA-N -1 0 329.440 3.602 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)NC[C@H]1CCCC1(C)C)c1ccccc1 ZINC001593903414 996773348 /nfs/dbraw/zinc/77/33/48/996773348.db2.gz SREVFJLEAZNQBD-CVEARBPZSA-N -1 0 346.471 3.964 20 0 EHADRM CC1(C)CCCC[C@H]1C(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001593905042 996784617 /nfs/dbraw/zinc/78/46/17/996784617.db2.gz MZKVQXCHTWQIAQ-HOTGVXAUSA-N -1 0 343.423 3.761 20 0 EHADRM CC1(C)CCCc2sc(NC(=O)/C=C/c3cc(C(=O)[O-])co3)nc21 ZINC001593911130 996800051 /nfs/dbraw/zinc/80/00/51/996800051.db2.gz XUQIMLSKBZABMZ-AATRIKPKSA-N -1 0 346.408 3.700 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC[C@H]1CC[C@H](c2ccccc2)O1 ZINC001599379574 996810864 /nfs/dbraw/zinc/81/08/64/996810864.db2.gz LBMNEDFNJUJKQL-HZPDHXFCSA-N -1 0 328.364 3.693 20 0 EHADRM CC1(C)CCc2onc(CNc3cccc(CCC(=O)[O-])c3)c2C1 ZINC001593924394 996848125 /nfs/dbraw/zinc/84/81/25/996848125.db2.gz GYHBWGQGWFUYJS-UHFFFAOYSA-N -1 0 328.412 3.819 20 0 EHADRM COc1ccc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)[O-])cc1C ZINC001599486199 996853928 /nfs/dbraw/zinc/85/39/28/996853928.db2.gz YKMJDUDJLKIICW-UHFFFAOYSA-N -1 0 333.771 3.916 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)/C=C/C2CCCCCC2)c1F ZINC001599486967 996867803 /nfs/dbraw/zinc/86/78/03/996867803.db2.gz BBDOZJKDWPFXGE-DHZHZOJOSA-N -1 0 335.375 3.998 20 0 EHADRM CC1(C)CN(C(=O)CCc2ccc(C(=O)[O-])cc2)[C@@H]1c1cccs1 ZINC001593928733 996878476 /nfs/dbraw/zinc/87/84/76/996878476.db2.gz NYQBFFCDRBENKR-QGZVFWFLSA-N -1 0 343.448 3.989 20 0 EHADRM COC[C@@H](NCc1cc(C(=O)[O-])ccc1Cl)c1ccc(F)cc1 ZINC001599177602 996880283 /nfs/dbraw/zinc/88/02/83/996880283.db2.gz QSWVGGJVGGOUDK-MRXNPFEDSA-N -1 0 337.778 3.655 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)CC(C)(C)C1 ZINC001593934579 996901743 /nfs/dbraw/zinc/90/17/43/996901743.db2.gz DWHLJUPXEHIHFH-UHFFFAOYSA-N -1 0 344.415 3.551 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cccc(C(F)F)c2F)c1 ZINC001599489834 996919411 /nfs/dbraw/zinc/91/94/11/996919411.db2.gz HZOFUXQCPMASIL-UHFFFAOYSA-N -1 0 339.269 3.722 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cccc(C3CC3)c2)c1F ZINC001599490867 996936137 /nfs/dbraw/zinc/93/61/37/996936137.db2.gz YZRIRLOVXVYUEK-UHFFFAOYSA-N -1 0 329.327 3.662 20 0 EHADRM COCc1ccc(S(=O)(=O)[N-]c2cccc3ccsc32)cc1 ZINC000538094646 1032138173 /nfs/dbraw/zinc/13/81/73/1032138173.db2.gz BOEPKGBTCSQAOQ-UHFFFAOYSA-N -1 0 333.434 3.849 20 0 EHADRM COC1(C(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)CCCCCC1 ZINC001599081586 997010311 /nfs/dbraw/zinc/01/03/11/997010311.db2.gz PUBYXYLLDNEWRQ-UHFFFAOYSA-N -1 0 326.776 3.683 20 0 EHADRM COCc1cc(NCc2c[nH]nc2-c2cccs2)cc(C(=O)[O-])c1 ZINC001599289981 997047861 /nfs/dbraw/zinc/04/78/61/997047861.db2.gz VACJSBPSBMTDNB-UHFFFAOYSA-N -1 0 343.408 3.595 20 0 EHADRM COc1cc(C)cc(NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1C ZINC001599391880 997051761 /nfs/dbraw/zinc/05/17/61/997051761.db2.gz FQXYTSJOIJOXLP-UHFFFAOYSA-N -1 0 340.379 3.558 20 0 EHADRM COc1ccc(C(=O)[O-])cc1CN(C)[C@@H](C)c1cc(F)ccc1F ZINC001599498300 997059722 /nfs/dbraw/zinc/05/97/22/997059722.db2.gz IAKHJYBIDQZZCA-NSHDSACASA-N -1 0 335.350 3.865 20 0 EHADRM CC1(C)COc2ccc(C(=O)Nc3ccc(Cl)c(C(=O)[O-])c3)cc21 ZINC001593960658 997078446 /nfs/dbraw/zinc/07/84/46/997078446.db2.gz IOKNQGVEMYPQFG-UHFFFAOYSA-N -1 0 345.782 3.961 20 0 EHADRM COCc1ccc(CN[C@H](C(=O)[O-])c2c(F)cccc2Cl)cc1 ZINC001599293607 997099556 /nfs/dbraw/zinc/09/95/56/997099556.db2.gz KQJWOEIAGNFVSU-INIZCTEOSA-N -1 0 337.778 3.541 20 0 EHADRM COCc1ccc(CN2CCC[C@@H]2c2nc(C(=O)[O-])c(C)s2)cc1 ZINC001599294721 997119308 /nfs/dbraw/zinc/11/93/08/997119308.db2.gz WXRPHPUKUSVDRJ-OAHLLOKOSA-N -1 0 346.452 3.633 20 0 EHADRM COc1cc(C)sc1C(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC001599395598 997120866 /nfs/dbraw/zinc/12/08/66/997120866.db2.gz PYHHHIQECAVIOW-UHFFFAOYSA-N -1 0 337.422 3.738 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1c(F)ccc(C)c1F ZINC001599396168 997130207 /nfs/dbraw/zinc/13/02/07/997130207.db2.gz KANYEADOOCCUEK-VMPITWQZSA-N -1 0 348.301 3.599 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1c(F)ccc(C)c1F ZINC001599396169 997130234 /nfs/dbraw/zinc/13/02/34/997130234.db2.gz KANYEADOOCCUEK-YVMONPNESA-N -1 0 348.301 3.599 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)C(C)(C)C1CCCC1 ZINC001599397466 997153671 /nfs/dbraw/zinc/15/36/71/997153671.db2.gz CGRTUXOXZLKKOY-LUAWRHEFSA-N -1 0 332.396 3.915 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)C[C@@H]1CCC[C@H](C)C1 ZINC001599398208 997167402 /nfs/dbraw/zinc/16/74/02/997167402.db2.gz ZIQMQYNJSBLPDO-LRGSNQRWSA-N -1 0 332.396 3.915 20 0 EHADRM COc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccccc2)cc1C1CC1 ZINC001599503385 997167751 /nfs/dbraw/zinc/16/77/51/997167751.db2.gz LKYUWBUIAMDMDC-KRWDZBQOSA-N -1 0 326.348 3.555 20 0 EHADRM COCc1ccccc1/C=C(\C)COC(=O)c1ccc(C(=O)[O-])s1 ZINC001599298182 997185102 /nfs/dbraw/zinc/18/51/02/997185102.db2.gz VZWHYYPVBOZSGP-FMIVXFBMSA-N -1 0 346.404 3.853 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Nc2cnc(C(=O)[O-])c(Cl)c2)cc1 ZINC001599506210 997215372 /nfs/dbraw/zinc/21/53/72/997215372.db2.gz CDHCIDBQDDHHKG-JTQLQIEISA-N -1 0 348.786 3.574 20 0 EHADRM CC1(C)[C@H](C(=O)Nc2nc(CCC(=O)[O-])cs2)[C@H]1c1ccccc1 ZINC001593987365 997229362 /nfs/dbraw/zinc/22/93/62/997229362.db2.gz UTFMLDWEOSVMQU-CABCVRRESA-N -1 0 344.436 3.539 20 0 EHADRM CC1(C)[C@@H](CNC(=O)C23CCC(C(=O)[O-])(CC2)C3)[C@@H]1c1ccccc1 ZINC001593987858 997234163 /nfs/dbraw/zinc/23/41/63/997234163.db2.gz GZTILENTHPBYOI-RKAKKKFESA-N -1 0 341.451 3.578 20 0 EHADRM COc1ccc([C@H](C)N(C)C(=O)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC001599507618 997238888 /nfs/dbraw/zinc/23/88/88/997238888.db2.gz UNWAEOGOQKUXAG-ZDUSSCGKSA-N -1 0 342.395 3.927 20 0 EHADRM CC1(C)[C@@H](c2ccccc2)[C@@H]1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001593988465 997241609 /nfs/dbraw/zinc/24/16/09/997241609.db2.gz PTZMDZUGNBPHCY-OALUTQOASA-N -1 0 337.419 3.626 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)C[C@@H]2CCCCC2(C)C)cc1 ZINC001599509686 997274812 /nfs/dbraw/zinc/27/48/12/997274812.db2.gz IGWWPOPWBITPSA-RDJZCZTQSA-N -1 0 347.455 3.934 20 0 EHADRM CC(C)c1cc(C(=O)NCC2(C(=O)[O-])CCCC2)c2ccccc2n1 ZINC000683315505 1016111528 /nfs/dbraw/zinc/11/15/28/1016111528.db2.gz AGNNQZLVMOALDZ-UHFFFAOYSA-N -1 0 340.423 3.733 20 0 EHADRM C[C@@]1(CCNC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CC1(F)F ZINC001594008370 997433925 /nfs/dbraw/zinc/43/39/25/997433925.db2.gz UYKJXWUHZATAFH-CYBMUJFWSA-N -1 0 332.734 3.595 20 0 EHADRM COc1cc(CNC(=O)Nc2cc(C)ccc2Cl)ccc1C(=O)[O-] ZINC001599412149 997442182 /nfs/dbraw/zinc/44/21/82/997442182.db2.gz YMWABROJUCIOSM-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM C[C@@]1(CNC(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)CCCCO1 ZINC001594020270 997527068 /nfs/dbraw/zinc/52/70/68/997527068.db2.gz LIJFSTBBJVCSKV-IBGZPJMESA-N -1 0 342.395 3.619 20 0 EHADRM CON(CCOc1ccc(/C=C\C(=O)[O-])cc1)C[C@@H]1CCC[C@H](C)C1 ZINC001599318254 997536363 /nfs/dbraw/zinc/53/63/63/997536363.db2.gz GBAPERHLZWYCCN-FHFUJXRGSA-N -1 0 347.455 3.853 20 0 EHADRM COc1cc(Cl)c(Cl)cc1C(=O)Nc1ccccc1C(=O)[O-] ZINC001599418692 997556918 /nfs/dbraw/zinc/55/69/18/997556918.db2.gz NFOFOMNERZNGSL-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM CO[C@H]1CCC[C@@H](CC(=O)Nc2ccc(OC(C)C)cc2C(=O)[O-])C1 ZINC001599111146 997571223 /nfs/dbraw/zinc/57/12/23/997571223.db2.gz ARWFKXGDPZRDEQ-KGLIPLIRSA-N -1 0 349.427 3.706 20 0 EHADRM COc1cc(Cl)cc(C(=O)Oc2ccc(C(=O)[O-])cc2Cl)c1 ZINC001599420689 997588850 /nfs/dbraw/zinc/58/88/50/997588850.db2.gz OZQYUBURXQJHFK-UHFFFAOYSA-N -1 0 341.146 3.919 20 0 EHADRM COc1cc(Cl)ccc1C(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1 ZINC001599421158 997597146 /nfs/dbraw/zinc/59/71/46/997597146.db2.gz OKFDTIGDALGQDO-UHFFFAOYSA-N -1 0 348.782 3.930 20 0 EHADRM COc1cc(Cl)ccc1C(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC001599421523 997602961 /nfs/dbraw/zinc/60/29/61/997602961.db2.gz VTWPBTWCQCDFFB-UHFFFAOYSA-N -1 0 341.146 3.919 20 0 EHADRM COc1ccc([C@H](NCc2cccc(C(=O)[O-])c2)C(F)(F)F)cc1 ZINC001599530415 997640422 /nfs/dbraw/zinc/64/04/22/997640422.db2.gz BTHPVBPMGYQMJJ-HNNXBMFYSA-N -1 0 339.313 3.787 20 0 EHADRM COCC[C@@H]1CCN(Cc2cc(C(=O)[O-])oc2C)c2ccccc21 ZINC001599220872 997665946 /nfs/dbraw/zinc/66/59/46/997665946.db2.gz QRLPUMWFNLCNQO-AWEZNQCLSA-N -1 0 329.396 3.817 20 0 EHADRM CO[C@H]1C[C@@H](CNc2ccc(Cl)cc2SCCC(=O)[O-])C1 ZINC001599326382 997671276 /nfs/dbraw/zinc/67/12/76/997671276.db2.gz VVRRZAXFSVEKFL-KLPPZKSPSA-N -1 0 329.849 3.744 20 0 EHADRM CC(=O)Nc1cc(C(=O)Nc2cc(F)cc(Cl)c2[O-])ccc1C ZINC000547778886 1016145350 /nfs/dbraw/zinc/14/53/50/1016145350.db2.gz NSYYHRCZYYBWHO-UHFFFAOYSA-N -1 0 336.750 3.704 20 0 EHADRM CC1(F)CCN(C(=O)Nc2cccc(SCCC(=O)[O-])c2)CC1 ZINC001594044761 997689553 /nfs/dbraw/zinc/68/95/53/997689553.db2.gz DHWFJIXQWLVXEM-UHFFFAOYSA-N -1 0 340.420 3.609 20 0 EHADRM C[C@]1(NC(=O)Cc2cc3cc(Cl)ccc3[nH]2)CCCC[C@H]1C(=O)[O-] ZINC001594052002 997750849 /nfs/dbraw/zinc/75/08/49/997750849.db2.gz CCAWWMUFGYNLQN-KSSFIOAISA-N -1 0 348.830 3.514 20 0 EHADRM COc1ccc(C2(C(=O)Nc3ccc(C(=O)[O-])cc3C)CCC2)cc1 ZINC001599537202 997764976 /nfs/dbraw/zinc/76/49/76/997764976.db2.gz SVJARFAYDZNAQC-UHFFFAOYSA-N -1 0 339.391 3.762 20 0 EHADRM COc1c(C)ccc(NC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c1C ZINC001599333176 997783902 /nfs/dbraw/zinc/78/39/02/997783902.db2.gz XZKOAFYYIGCVHE-FOIQADDNSA-N -1 0 339.391 3.509 20 0 EHADRM C[C@]1(NC(=O)c2cc(-c3ccccc3)ccn2)CCCC[C@H]1C(=O)[O-] ZINC001594055828 997790964 /nfs/dbraw/zinc/79/09/64/997790964.db2.gz JLWNDSAEQULQDX-JXFKEZNVSA-N -1 0 338.407 3.512 20 0 EHADRM COc1cc(NC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)c(C(=O)[O-])cc1OC ZINC001599433202 997796728 /nfs/dbraw/zinc/79/67/28/997796728.db2.gz JILYAKLDABYQMO-MLGOLLRUSA-N -1 0 347.411 3.579 20 0 EHADRM COc1cc(NC(=O)N(C)c2cccc3cc[nH]c32)ccc1C(=O)[O-] ZINC001599433770 997806085 /nfs/dbraw/zinc/80/60/85/997806085.db2.gz JDVHTDRLYINNAH-UHFFFAOYSA-N -1 0 339.351 3.543 20 0 EHADRM COC(=O)c1cc(CNc2ccc(C(C)(C)C(=O)[O-])cc2)cs1 ZINC001598933636 997819374 /nfs/dbraw/zinc/81/93/74/997819374.db2.gz PLXRPWJAMUEVLQ-UHFFFAOYSA-N -1 0 333.409 3.509 20 0 EHADRM COc1cc(NC(=O)N2CCC[C@H]2c2cccs2)ccc1C(=O)[O-] ZINC001599435934 997846477 /nfs/dbraw/zinc/84/64/77/997846477.db2.gz RKMHTWKOOUASLC-ZDUSSCGKSA-N -1 0 346.408 3.824 20 0 EHADRM COc1ccc(/C=C\C(=O)Nc2c(C)sc(C)c2C(=O)[O-])cc1 ZINC001599541306 997847784 /nfs/dbraw/zinc/84/77/84/997847784.db2.gz FEPFGNHXLAALJQ-TWGQIWQCSA-N -1 0 331.393 3.724 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)c1ccc(C)cc1C ZINC001599541786 997856344 /nfs/dbraw/zinc/85/63/44/997856344.db2.gz FPEXHUKJDQQMEZ-TWGQIWQCSA-N -1 0 326.348 3.629 20 0 EHADRM COC(=O)c1cc(COc2cc(Cl)ccc2F)cc(C(=O)[O-])c1 ZINC001598935494 997856988 /nfs/dbraw/zinc/85/69/88/997856988.db2.gz XKMXQPQXGZOWIM-UHFFFAOYSA-N -1 0 338.718 3.543 20 0 EHADRM CCOc1ccc([C@@H](C)NC(=O)c2ccc([O-])c(Cl)c2)cc1OC ZINC000047545492 1016162142 /nfs/dbraw/zinc/16/21/42/1016162142.db2.gz ZUFCDVHIYGEBBV-LLVKDONJSA-N -1 0 349.814 3.944 20 0 EHADRM COc1c(NC(=O)N(C)Cc2ccccc2Cl)cccc1C(=O)[O-] ZINC001599338871 997886727 /nfs/dbraw/zinc/88/67/27/997886727.db2.gz YRBXRHOCCFDVKZ-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM COc1cc(NC(=O)NCCCCc2ccccc2)ccc1C(=O)[O-] ZINC001599439634 997909868 /nfs/dbraw/zinc/90/98/68/997909868.db2.gz MQKJTCJJDNEERN-UHFFFAOYSA-N -1 0 342.395 3.538 20 0 EHADRM COc1c(NC(=O)c2ccccc2C(F)(F)F)cccc1C(=O)[O-] ZINC001599342984 997952627 /nfs/dbraw/zinc/95/26/27/997952627.db2.gz XDRCOHWKVNATRM-UHFFFAOYSA-N -1 0 339.269 3.665 20 0 EHADRM COc1cc(N[C@H](C)c2ccccc2OCC(=O)[O-])cc(OC)c1C ZINC001599443067 997962305 /nfs/dbraw/zinc/96/23/05/997962305.db2.gz NSNBPJGDIGVSEQ-CYBMUJFWSA-N -1 0 345.395 3.649 20 0 EHADRM COc1cc(NCc2cc(C(=O)[O-])oc2C)c(Cl)c(OC)c1 ZINC001599444317 997982891 /nfs/dbraw/zinc/98/28/91/997982891.db2.gz RRBCAITZGMBRME-UHFFFAOYSA-N -1 0 325.748 3.569 20 0 EHADRM COc1cc(NCc2c(F)c(F)c(F)c(F)c2F)ccc1C(=O)[O-] ZINC001599444508 997984782 /nfs/dbraw/zinc/98/47/82/997984782.db2.gz YYQBCFSARASRAY-UHFFFAOYSA-N -1 0 347.239 3.701 20 0 EHADRM COc1cc(OC(=O)Cc2ccc(CC(C)C)cc2)ccc1C(=O)[O-] ZINC001599445162 997996994 /nfs/dbraw/zinc/99/69/94/997996994.db2.gz COZYBEZUUHYJIL-UHFFFAOYSA-N -1 0 342.391 3.740 20 0 EHADRM COc1cc(OC(=O)CCSc2ccc(C)cc2)ccc1C(=O)[O-] ZINC001599445358 998001043 /nfs/dbraw/zinc/00/10/43/998001043.db2.gz FQLWOTIEHHDWMY-UHFFFAOYSA-N -1 0 346.404 3.790 20 0 EHADRM COc1cc(OC(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)ccc1C(=O)[O-] ZINC001599445495 998001425 /nfs/dbraw/zinc/00/14/25/998001425.db2.gz DJUVEATXMTVNHP-CABCVRRESA-N -1 0 344.338 3.632 20 0 EHADRM COc1cc(OC(=O)[C@@H](c2ccc(F)cc2)C(C)C)ccc1C(=O)[O-] ZINC001599445857 998008325 /nfs/dbraw/zinc/00/83/25/998008325.db2.gz IZSBDYUVIAGAHC-QGZVFWFLSA-N -1 0 346.354 3.878 20 0 EHADRM COc1ccc(CCCC(=O)Nc2c(C)csc2C(=O)[O-])cc1 ZINC001599554103 998060114 /nfs/dbraw/zinc/06/01/14/998060114.db2.gz VCNCALCHCUSFIL-UHFFFAOYSA-N -1 0 333.409 3.725 20 0 EHADRM COc1cc(C(=O)N2CCCc3c(C(=O)[O-])cccc32)ccc1Cl ZINC001599350888 998091772 /nfs/dbraw/zinc/09/17/72/998091772.db2.gz DOKYPUSFQQPOLT-UHFFFAOYSA-N -1 0 345.782 3.640 20 0 EHADRM Cc1cc(C)c(CC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)c(C)c1 ZINC000683323862 1016183337 /nfs/dbraw/zinc/18/33/37/1016183337.db2.gz DPTQFZIKXAFMMP-INIZCTEOSA-N -1 0 331.456 3.504 20 0 EHADRM COc1cc(OC)cc([C@@H](Sc2cc(F)ccc2F)C(=O)[O-])c1 ZINC001599451402 998108747 /nfs/dbraw/zinc/10/87/47/998108747.db2.gz DWDLOJYSRVKDIQ-OAHLLOKOSA-N -1 0 340.347 3.900 20 0 EHADRM COc1cc(OC)cc([C@H](Sc2ccc3c(c2)CCO3)C(=O)[O-])c1 ZINC001599452248 998124529 /nfs/dbraw/zinc/12/45/29/998124529.db2.gz ZQUAYVFFODTTIO-KRWDZBQOSA-N -1 0 346.404 3.557 20 0 EHADRM COc1cc(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])ccc1Cl ZINC001599355777 998177026 /nfs/dbraw/zinc/17/70/26/998177026.db2.gz KWJPJZBBKKPKEN-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM CC1=C(C)CN(C(=O)Nc2cccc(SCCC(=O)[O-])c2)CC1 ZINC001594109470 998194852 /nfs/dbraw/zinc/19/48/52/998194852.db2.gz JNJMXLSAZIAAPY-UHFFFAOYSA-N -1 0 334.441 3.827 20 0 EHADRM COc1ccc(CNC(=O)/C(C)=C/C2CCC(C)CC2)cc1C(=O)[O-] ZINC001599562893 998233098 /nfs/dbraw/zinc/23/30/98/998233098.db2.gz DBUPPIREULWUOK-GXDHUFHOSA-N -1 0 345.439 3.782 20 0 EHADRM COCCOCc1cccc(N[C@H](C)c2cc(C(=O)[O-])cs2)c1 ZINC001599252764 998261303 /nfs/dbraw/zinc/26/13/03/998261303.db2.gz NXECXYNAIIMFPE-GFCCVEGCSA-N -1 0 335.425 3.782 20 0 EHADRM COC[C@H](C)[C@@H](C)C(=O)Nc1scc(-c2ccccc2)c1C(=O)[O-] ZINC001599157212 998393090 /nfs/dbraw/zinc/39/30/90/998393090.db2.gz BBAHZUPTMNKUGZ-NWDGAFQWSA-N -1 0 347.436 3.970 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)CCc1cccc(Cl)c1 ZINC001599370646 998403932 /nfs/dbraw/zinc/40/39/32/998403932.db2.gz ZWNXROUJMDTMPC-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM COc1ccc(Cl)c(NC(=O)NCC2(CC(=O)[O-])CCCC2)c1 ZINC001599576750 998455999 /nfs/dbraw/zinc/45/59/99/998455999.db2.gz GYQIPCRJHNXCRO-UHFFFAOYSA-N -1 0 340.807 3.505 20 0 EHADRM COc1ccc(Cl)c(CN2CCc3ccc(C(=O)[O-])cc3C2)c1 ZINC001599576767 998457523 /nfs/dbraw/zinc/45/75/23/998457523.db2.gz HTQHRLFFDQKCKV-UHFFFAOYSA-N -1 0 331.799 3.605 20 0 EHADRM COc1ccc(-c2noc(CCc3ccc(C(=O)[O-])cc3)n2)cc1C ZINC001599472225 998468881 /nfs/dbraw/zinc/46/88/81/998468881.db2.gz WQNSUSRPXKXSIY-UHFFFAOYSA-N -1 0 338.363 3.537 20 0 EHADRM COc1ccc(Br)c(OCc2ccccc2C(=O)[O-])c1 ZINC001599475738 998529751 /nfs/dbraw/zinc/52/97/51/998529751.db2.gz GAQVVXFUFOUCCV-UHFFFAOYSA-N -1 0 337.169 3.735 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC001599378782 998532455 /nfs/dbraw/zinc/53/24/55/998532455.db2.gz OLTNITUZDZKMRM-GHMZBOCLSA-N -1 0 346.301 3.668 20 0 EHADRM COC(=O)c1ccc(CNc2cc3ccccc3c(C(=O)[O-])c2)o1 ZINC001598976102 998601664 /nfs/dbraw/zinc/60/16/64/998601664.db2.gz VPNKIGKPUCPFIK-UHFFFAOYSA-N -1 0 325.320 3.530 20 0 EHADRM C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccsc1C(=O)[O-] ZINC001594173161 998665521 /nfs/dbraw/zinc/66/55/21/998665521.db2.gz LYCDCYBGDWZSTA-YUMQZZPRSA-N -1 0 336.335 3.641 20 0 EHADRM C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(C(=O)[O-])s1 ZINC001594174677 998670094 /nfs/dbraw/zinc/67/00/94/998670094.db2.gz SNRQPAMIFZWHPG-YUMQZZPRSA-N -1 0 336.335 3.641 20 0 EHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@H]1Nc1ccc(-n2cccn2)c(Cl)c1 ZINC001594185714 998719814 /nfs/dbraw/zinc/71/98/14/998719814.db2.gz RGVSFBGLPUMAJK-LALPHHSUSA-N -1 0 333.819 3.827 20 0 EHADRM C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1Nc1ccccc1OCC(F)(F)F ZINC001594186526 998721221 /nfs/dbraw/zinc/72/12/21/998721221.db2.gz WIXZWWDBOYJWLL-WOPDTQHZSA-N -1 0 331.334 3.929 20 0 EHADRM COC(=O)c1cccc([C@H](SC[C@@H]2CC2(Cl)Cl)C(=O)[O-])c1 ZINC001598993644 998759537 /nfs/dbraw/zinc/75/95/37/998759537.db2.gz CEGITAFCZBGNDF-QWRGUYRKSA-N -1 0 349.235 3.526 20 0 EHADRM COC(=O)c1cccc([C@H](SCCCc2ccccc2)C(=O)[O-])c1 ZINC001598993714 998760282 /nfs/dbraw/zinc/76/02/82/998760282.db2.gz XTBZJHULCKDMDB-KRWDZBQOSA-N -1 0 344.432 3.965 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1C(=O)C[C@H]1CCCc2ccccc21 ZINC001594205942 998792344 /nfs/dbraw/zinc/79/23/44/998792344.db2.gz MTIGTTPWZAZOEE-YALNPMBYSA-N -1 0 329.440 3.597 20 0 EHADRM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001594206627 998794887 /nfs/dbraw/zinc/79/48/87/998794887.db2.gz RRJAVRUXZJBZFC-CNVPUSNMSA-N -1 0 341.860 3.605 20 0 EHADRM C[C@@H]1CC(C(=O)[O-])C[C@H](C)N1C(=O)/C=C\c1ccc(Cl)s1 ZINC001594207167 998797149 /nfs/dbraw/zinc/79/71/49/998797149.db2.gz XHHPHGJIMXNOBR-VHMIAOFCSA-N -1 0 327.833 3.515 20 0 EHADRM COC(=O)c1ccccc1CS[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001599001967 998827413 /nfs/dbraw/zinc/82/74/13/998827413.db2.gz ANHOFUGYLISQOU-OAHLLOKOSA-N -1 0 334.368 3.671 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N2C[C@H](C)C[C@H](C)[C@@H]2C)cc1)C(=O)[O-] ZINC001594219215 998841227 /nfs/dbraw/zinc/84/12/27/998841227.db2.gz FNCZPLWRPDWSAR-BARDWOONSA-N -1 0 332.444 3.848 20 0 EHADRM C[C@@H]1CC(C(=O)N2c3ccccc3C[C@H](C)[C@@H]2C(=O)[O-])C[C@@H](C)C1 ZINC001594219314 998841794 /nfs/dbraw/zinc/84/17/94/998841794.db2.gz GWCSYDYQWSAWPI-WZTLGTBRSA-N -1 0 329.440 3.737 20 0 EHADRM C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)C1CC(C(=O)[O-])C1 ZINC000683338242 1016257537 /nfs/dbraw/zinc/25/75/37/1016257537.db2.gz OZQDAKYQBMETLY-FTXHTYHOSA-N -1 0 337.419 3.984 20 0 EHADRM CC[C@H](C)Sc1ccc([N-]S(=O)(=O)c2c[nH]c(C)n2)c(C)c1 ZINC000340093167 1016265862 /nfs/dbraw/zinc/26/58/62/1016265862.db2.gz UYJXVLGFAGNBNS-NSHDSACASA-N -1 0 339.486 3.718 20 0 EHADRM COC(=O)c1oc(CNc2ccc3sc(C(=O)[O-])cc3c2)cc1C ZINC001599020028 998970881 /nfs/dbraw/zinc/97/08/81/998970881.db2.gz XOIXTQOBMVVCBE-UHFFFAOYSA-N -1 0 345.376 3.900 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C[C@H](c2ccccc2)C1 ZINC001594259426 998998915 /nfs/dbraw/zinc/99/89/15/998998915.db2.gz FQOISQRVRHZSHV-GPFWEFOESA-N -1 0 343.467 3.966 20 0 EHADRM CO[C@H](C(=O)[O-])c1ccccc1OCc1coc(-c2cccs2)n1 ZINC001599028217 999031532 /nfs/dbraw/zinc/03/15/32/999031532.db2.gz YVNUYLUXCLUSGS-HNNXBMFYSA-N -1 0 345.376 3.754 20 0 EHADRM C[C@H]1C[C@H]1c1cc(NC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)n[nH]1 ZINC001594277665 999074340 /nfs/dbraw/zinc/07/43/40/999074340.db2.gz QWLLYGZLDBDAOF-IONNQARKSA-N -1 0 334.763 3.529 20 0 EHADRM C[C@@H]1C[C@H]1c1cc(NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)n[nH]1 ZINC001594277948 999075199 /nfs/dbraw/zinc/07/51/99/999075199.db2.gz SUWJEODQSHKKAN-GMSGAONNSA-N -1 0 334.763 3.529 20 0 EHADRM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001594278535 999078857 /nfs/dbraw/zinc/07/88/57/999078857.db2.gz PCKAPIUGTQDNEC-DEKFOEGESA-N -1 0 340.782 3.591 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CCC(=O)NC[C@H](C(=O)[O-])C2CCCCC2)o1 ZINC001594280459 999089208 /nfs/dbraw/zinc/08/92/08/999089208.db2.gz XWXMZVPPKLSWMH-XYPHTWIQSA-N -1 0 347.455 3.733 20 0 EHADRM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1 ZINC001594285197 999104682 /nfs/dbraw/zinc/10/46/82/999104682.db2.gz OOPYTVLAJSEOKZ-FGTAOJJYSA-N -1 0 335.488 3.989 20 0 EHADRM CO[C@@H](C)CN(C(=O)Nc1ccc(C(=O)[O-])c2ccccc12)C(C)C ZINC001599039673 999108578 /nfs/dbraw/zinc/10/85/78/999108578.db2.gz FQCBUSYYXWYBMW-ZDUSSCGKSA-N -1 0 344.411 3.815 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001594291922 999125780 /nfs/dbraw/zinc/12/57/80/999125780.db2.gz IDMWBFKKRBKQQQ-ISTVAULSSA-N -1 0 338.354 3.848 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)N[C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)C1 ZINC001594297133 999145759 /nfs/dbraw/zinc/14/57/59/999145759.db2.gz RYADPSQEIODIAN-ICCXJUOJSA-N -1 0 329.318 3.541 20 0 EHADRM CO[C@@H](Cc1ccccc1)CN1CCCCc2cc(C(=O)[O-])ccc21 ZINC001599057775 999242694 /nfs/dbraw/zinc/24/26/94/999242694.db2.gz HRRYWGLJHXJBOZ-IBGZPJMESA-N -1 0 339.435 3.785 20 0 EHADRM C[C@H]1CCC[C@@H](C2CN(C(=O)CCc3ccccc3C(=O)[O-])C2)C1 ZINC001594345468 999307096 /nfs/dbraw/zinc/30/70/96/999307096.db2.gz VIWBXJOMVZEYAV-GOEBONIOSA-N -1 0 329.440 3.602 20 0 EHADRM C[C@@H]1CCC[C@H](N(C)C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)C1 ZINC001594348018 999317670 /nfs/dbraw/zinc/31/76/70/999317670.db2.gz FACPWJDOTVBCJU-DOMZBBRYSA-N -1 0 341.411 3.975 20 0 EHADRM C[C@@H]1CCC[C@H](NC(=O)NCCc2cc3ccc(C(=O)[O-])cc3o2)C1 ZINC001594352278 999333504 /nfs/dbraw/zinc/33/35/04/999333504.db2.gz CGLHNAJKLLDBSK-DOMZBBRYSA-N -1 0 344.411 3.551 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC001594352882 999336704 /nfs/dbraw/zinc/33/67/04/999336704.db2.gz TXVWTEDNNMAPEJ-TZMCWYRMSA-N -1 0 334.416 3.872 20 0 EHADRM C[C@H]1CCC[C@@H]1CC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001594358263 999355115 /nfs/dbraw/zinc/35/51/15/999355115.db2.gz WNSBFLWCPDNQGK-JSQNDZKTSA-N -1 0 349.858 3.793 20 0 EHADRM C[C@@H]1CCC[C@H]1CC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001594359817 999360710 /nfs/dbraw/zinc/36/07/10/999360710.db2.gz OJSKQKVWJHDLAV-ZJUUUORDSA-N -1 0 340.217 3.912 20 0 EHADRM C[C@H]1CCC[C@H]1CC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001594360478 999363077 /nfs/dbraw/zinc/36/30/77/999363077.db2.gz VRRPGBYSGYWWNU-UWVGGRQHSA-N -1 0 327.327 3.751 20 0 EHADRM C[C@@H]1CCCC[C@@H]1C(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001594363933 999374598 /nfs/dbraw/zinc/37/45/98/999374598.db2.gz OZMGDOASNVJWKP-WBMJQRKESA-N -1 0 329.396 3.616 20 0 EHADRM C[C@@H]1CCCC[C@H]1C(=O)N[C@@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001594363939 999374748 /nfs/dbraw/zinc/37/47/48/999374748.db2.gz PFKGRLJKGOMGNS-DWQUBVKVSA-N -1 0 337.847 3.668 20 0 EHADRM C[C@H]1CCCC[C@H]1CNC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001594366593 999385693 /nfs/dbraw/zinc/38/56/93/999385693.db2.gz LOVFPCGHAHTXGH-RYUDHWBXSA-N -1 0 329.400 3.814 20 0 EHADRM C[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001594367599 999389359 /nfs/dbraw/zinc/38/93/59/999389359.db2.gz VSAMCDJSZKYTTH-UFBFGSQYSA-N -1 0 328.771 3.878 20 0 EHADRM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001594370722 999396992 /nfs/dbraw/zinc/39/69/92/999396992.db2.gz JNLXLSKWQCVPOJ-ZANVPECISA-N -1 0 343.782 3.711 20 0 EHADRM C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001594389114 999473469 /nfs/dbraw/zinc/47/34/69/999473469.db2.gz RINRGNSTGIDAJF-KPZWWZAWSA-N -1 0 341.382 3.967 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2cccc(CC(=O)[O-])n2)CC12CCCCC2 ZINC001594406166 999520693 /nfs/dbraw/zinc/52/06/93/999520693.db2.gz SMVMHMNTUNRWNV-AWEZNQCLSA-N -1 0 345.443 3.533 20 0 EHADRM C[C@@H]1CCc2nc(CN(C)[C@@H](C(=O)[O-])c3ccccc3)sc2C1 ZINC001594450306 999647174 /nfs/dbraw/zinc/64/71/74/999647174.db2.gz DMQYUOQEMZOXSU-SJKOYZFVSA-N -1 0 330.453 3.526 20 0 EHADRM C[C@H]1CCc2sc(C(=O)NC[C@H](CC3CCCC3)C(=O)[O-])cc2C1 ZINC001594450998 999649244 /nfs/dbraw/zinc/64/92/44/999649244.db2.gz RILZWYINDPZUDB-WFASDCNBSA-N -1 0 349.496 3.884 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)cnn1CC(C)C ZINC000655574191 1016364231 /nfs/dbraw/zinc/36/42/31/1016364231.db2.gz LCDFXZITQJAXJA-UHFFFAOYSA-N -1 0 341.864 3.610 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2cnc3ccsc3c2)cc1C ZINC000340127522 1016371739 /nfs/dbraw/zinc/37/17/39/1016371739.db2.gz INTRFLDKDPPZOZ-UHFFFAOYSA-N -1 0 346.433 3.608 20 0 EHADRM CC(C)c1ccc([C@H]2CCCN2C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000653291357 1016529480 /nfs/dbraw/zinc/52/94/80/1016529480.db2.gz AKYPQLXRVBHSDS-FGTMMUONSA-N -1 0 329.440 3.974 20 0 EHADRM CCc1oc(C(=O)N=c2[n-]nc(Cc3ccc(C)cc3)s2)cc1C ZINC000471280787 1016539049 /nfs/dbraw/zinc/53/90/49/1016539049.db2.gz YTWUHUUOHOMCJI-UHFFFAOYSA-N -1 0 341.436 3.575 20 0 EHADRM CC[C@H](CNC(=O)N=c1[n-]nc(-c2ccco2)s1)c1ccccc1 ZINC000510231093 1016544750 /nfs/dbraw/zinc/54/47/50/1016544750.db2.gz WTIORPBKVKCYLR-GFCCVEGCSA-N -1 0 342.424 3.535 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CC2(CCc3ccccc3)CCCC2)C1 ZINC000340198017 1016679812 /nfs/dbraw/zinc/67/98/12/1016679812.db2.gz YUCVLLFBANQSJJ-QGZVFWFLSA-N -1 0 329.440 3.503 20 0 EHADRM Cc1cc(Br)c(O)c(NC(=O)[C@H](C)c2cccnc2)c1 ZINC000182917884 1032149592 /nfs/dbraw/zinc/14/95/92/1032149592.db2.gz HEOHQIIIEASXOC-SNVBAGLBSA-N -1 0 335.201 3.600 20 0 EHADRM CCc1cc(=O)c2cc(NC(=O)c3cc(Cl)ccc3[O-])ccc2[nH]1 ZINC000180988374 1016913457 /nfs/dbraw/zinc/91/34/57/1016913457.db2.gz FPBMFXFECVLXBP-UHFFFAOYSA-N -1 0 342.782 3.702 20 0 EHADRM C[C@H](c1cnn(C)c1)N(C)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000181383530 1016920233 /nfs/dbraw/zinc/92/02/33/1016920233.db2.gz KNWUHPLQMAWSQV-LLVKDONJSA-N -1 0 343.814 3.766 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H](CC(F)(F)F)c2ccccc2)s1 ZINC000340340426 1016976115 /nfs/dbraw/zinc/97/61/15/1016976115.db2.gz SHSCVQRYGIDVCF-JTQLQIEISA-N -1 0 343.326 3.870 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N(C)[C@@H](C)C2(C)CC2)s1 ZINC000471312540 1017020124 /nfs/dbraw/zinc/02/01/24/1017020124.db2.gz ASZJPHXKLNXFIP-NSHDSACASA-N -1 0 348.447 3.727 20 0 EHADRM C[C@@H](NC(=O)NCCCCCC(=O)[O-])c1cc(Cl)ccc1Cl ZINC000414614327 1017035754 /nfs/dbraw/zinc/03/57/54/1017035754.db2.gz OINJCAPPKMHKFI-SNVBAGLBSA-N -1 0 347.242 3.999 20 0 EHADRM Cc1ccc2c(c1Br)CN(Cc1cc(C(=O)[O-])co1)C2 ZINC000659804473 1017048554 /nfs/dbraw/zinc/04/85/54/1017048554.db2.gz XQNOVRUUDNASBP-UHFFFAOYSA-N -1 0 336.185 3.565 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)c2cc(Cl)sc2Cl)C1 ZINC000261659523 1032178359 /nfs/dbraw/zinc/17/83/59/1032178359.db2.gz YJXMYJRXIGNTLD-ZDUSSCGKSA-N -1 0 336.240 3.628 20 0 EHADRM Cc1ccc2c(c1F)N(Cc1nc(=O)c3sccc3[n-]1)CCC2 ZINC000459528873 1032247577 /nfs/dbraw/zinc/24/75/77/1032247577.db2.gz RECDXBFBHUZGDR-UHFFFAOYSA-N -1 0 329.400 3.797 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1ncc(Br)nc1Cl ZINC001211616538 1032282120 /nfs/dbraw/zinc/28/21/20/1032282120.db2.gz NFZGXLKKEWLKCZ-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM C[C@H](CC(=O)N[C@@H](C)[C@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC000455917138 1032296802 /nfs/dbraw/zinc/29/68/02/1032296802.db2.gz DEKXJWFXDZGEAG-GJYPPUQNSA-N -1 0 339.435 3.628 20 0 EHADRM CC(C)(/C=C/Cl)NC(=O)[C@H](CC(=O)[O-])c1c(F)cccc1Cl ZINC000905134647 1032360021 /nfs/dbraw/zinc/36/00/21/1032360021.db2.gz ASGCRBGGXYKLLG-XCODYQFDSA-N -1 0 348.201 3.685 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cc(F)cc(F)c2F)CCCCCC1 ZINC000321164518 1032364121 /nfs/dbraw/zinc/36/41/21/1032364121.db2.gz XDEYTVGRVIBICZ-UHFFFAOYSA-N -1 0 329.318 3.858 20 0 EHADRM O=S(=O)(N[C@H](c1ccccc1)C1CC1)c1cccc(Cl)c1F ZINC000032410589 1032428980 /nfs/dbraw/zinc/42/89/80/1032428980.db2.gz POWGHEDJNOFGSK-MRXNPFEDSA-N -1 0 339.819 3.909 20 0 EHADRM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cncc3ccccc32)c1 ZINC000396474166 1032430356 /nfs/dbraw/zinc/43/03/56/1032430356.db2.gz DEGSSHKJDBEUEQ-UHFFFAOYSA-N -1 0 340.404 3.628 20 0 EHADRM Cc1cc(N2CCSCC2)ccc1NCc1ccc(C(=O)[O-])cc1 ZINC000414635973 1017086151 /nfs/dbraw/zinc/08/61/51/1017086151.db2.gz JKYOLKOFPDPEBM-UHFFFAOYSA-N -1 0 342.464 3.859 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)CCCO2)c1cc2ccccc2o1 ZINC000084920435 1032467970 /nfs/dbraw/zinc/46/79/70/1032467970.db2.gz LMZBJNDSQVFRMB-UHFFFAOYSA-N -1 0 329.377 3.559 20 0 EHADRM COc1cc(Nc2ccc(C(=O)[O-])cc2C)cnc1Br ZINC001211618774 1032465038 /nfs/dbraw/zinc/46/50/38/1032465038.db2.gz QOFPSQZBLKVFLQ-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM Cc1cccc([C@H]2CCCCN2S(=O)(=O)c2ccccc2[O-])c1C ZINC001210151758 1017296320 /nfs/dbraw/zinc/29/63/20/1017296320.db2.gz RNLPSOPITBMTEQ-QGZVFWFLSA-N -1 0 345.464 3.925 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)N(C)CCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000414634109 1017096671 /nfs/dbraw/zinc/09/66/71/1017096671.db2.gz WUESYJOOKBJBTQ-LRDDRELGSA-N -1 0 340.851 3.933 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000601992611 1032585443 /nfs/dbraw/zinc/58/54/43/1032585443.db2.gz HWFNCYZTGDPWSW-WWGRRREGSA-N -1 0 335.469 3.629 20 0 EHADRM CC(C)Sc1ccccc1NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-] ZINC000601998822 1032586696 /nfs/dbraw/zinc/58/66/96/1032586696.db2.gz IQKGFJQTCRGFKT-GHMZBOCLSA-N -1 0 327.471 3.720 20 0 EHADRM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cncc3ccccc32)cc1 ZINC000091019268 1032617760 /nfs/dbraw/zinc/61/77/60/1032617760.db2.gz OQGHNNKYQNXXFU-UHFFFAOYSA-N -1 0 342.420 3.823 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N2C3CCC2CC3)s1)c1ccccc1 ZINC000592937909 1032624639 /nfs/dbraw/zinc/62/46/39/1032624639.db2.gz MAWLTXOQYAIRIR-YMAMQOFZSA-N -1 0 342.468 3.661 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)sc1C ZINC000091051363 1032628108 /nfs/dbraw/zinc/62/81/08/1032628108.db2.gz XOYJNBINJVEVAI-UHFFFAOYSA-N -1 0 336.482 3.766 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2cc(Cl)ccc2Cl)[C@@H](C(=O)[O-])C1 ZINC000125598445 1017132887 /nfs/dbraw/zinc/13/28/87/1017132887.db2.gz YIQZJQQGKTYELK-QPUJVOFHSA-N -1 0 331.199 3.710 20 0 EHADRM O=C([O-])[C@H](CCCc1ccccc1)NCc1nc2c(s1)CCCC2 ZINC000669471863 1032700513 /nfs/dbraw/zinc/70/05/13/1032700513.db2.gz YSJQAWMCNPGOKK-INIZCTEOSA-N -1 0 344.480 3.588 20 0 EHADRM O=C([O-])c1cnc(/C=C/c2cc(Br)ccc2F)s1 ZINC000109850095 1017591860 /nfs/dbraw/zinc/59/18/60/1017591860.db2.gz AUPAJFAYPJSLJP-DAFODLJHSA-N -1 0 328.162 3.913 20 0 EHADRM C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000545366582 1017647526 /nfs/dbraw/zinc/64/75/26/1017647526.db2.gz QBFUCMHJCITNDJ-YUELXQCFSA-N -1 0 349.418 3.658 20 0 EHADRM CCCOc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1Cl ZINC000048382472 1017679335 /nfs/dbraw/zinc/67/93/35/1017679335.db2.gz KKPIBEGSRUECQC-OLZOCXBDSA-N -1 0 337.803 3.734 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000139395603 1017683995 /nfs/dbraw/zinc/68/39/95/1017683995.db2.gz HFCKIVMQZYZBBZ-OTWHNJEPSA-N -1 0 337.419 3.821 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C[NH2+]Cc1c(F)cccc1Br ZINC000394765311 1017808206 /nfs/dbraw/zinc/80/82/06/1017808206.db2.gz ASZHJBIUIKOPRH-GHMZBOCLSA-N -1 0 344.224 3.569 20 0 EHADRM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2c([O-])cc(F)cc2F)C1 ZINC000606534373 1032742551 /nfs/dbraw/zinc/74/25/51/1032742551.db2.gz KNTIVFRJKFVREH-OLZOCXBDSA-N -1 0 331.362 3.997 20 0 EHADRM O=C([O-])[C@]1(CC(=O)Nc2ccc(-c3ccco3)cc2F)CCSC1 ZINC000683728678 1018222166 /nfs/dbraw/zinc/22/21/66/1018222166.db2.gz HKTDCMFMSKZYRB-KRWDZBQOSA-N -1 0 349.383 3.622 20 0 EHADRM COc1c(C)ccc([N-]S(=O)(=O)c2ccc(Cl)s2)c1C ZINC000031722659 1032752973 /nfs/dbraw/zinc/75/29/73/1032752973.db2.gz WQJSPLHQENQOMO-UHFFFAOYSA-N -1 0 331.846 3.828 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H](C)Cc2ccco2)cc1 ZINC000659137986 1018350902 /nfs/dbraw/zinc/35/09/02/1018350902.db2.gz PAGURBPGSMRZJN-MLGOLLRUSA-N -1 0 347.436 3.512 20 0 EHADRM Cc1[nH]nc(C(=O)Nc2cc(C)ccc2OCc2ccccc2)c1[O-] ZINC000669635252 1032761813 /nfs/dbraw/zinc/76/18/13/1032761813.db2.gz GOBMJXBXHSCOFW-UHFFFAOYSA-N -1 0 337.379 3.563 20 0 EHADRM C[C@H](Nc1ncnc2cc(Cl)ccc21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656091654 1018520922 /nfs/dbraw/zinc/52/09/22/1018520922.db2.gz GSDUJHVUMDKSED-TVYUQYBPSA-N -1 0 333.819 3.831 20 0 EHADRM C[C@H](Nc1cnc(-c2ccccc2)cn1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656093875 1018522713 /nfs/dbraw/zinc/52/27/13/1018522713.db2.gz ZWDTVBBJXIAJLW-AEGPPILISA-N -1 0 325.412 3.691 20 0 EHADRM COc1cc(-c2nc(=O)c3c4c(sc3[nH]2)CCC4)cc(Cl)c1[O-] ZINC000046702730 1018575880 /nfs/dbraw/zinc/57/58/80/1018575880.db2.gz YOXMYMXZSOVMLK-UHFFFAOYSA-N -1 0 348.811 3.508 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000580201425 1018778254 /nfs/dbraw/zinc/77/82/54/1018778254.db2.gz MQNCCLGRIVQXIZ-GMNCBBECSA-N -1 0 343.467 3.795 20 0 EHADRM CCc1ccc(C2CCN(C(=O)CC(C)(C)CC(=O)[O-])CC2)cc1 ZINC000630303055 1018833918 /nfs/dbraw/zinc/83/39/18/1018833918.db2.gz KNDREFLBNHOQCM-UHFFFAOYSA-N -1 0 331.456 3.846 20 0 EHADRM C[C@@H](COc1ccc(F)cc1F)NC(=O)c1cccc(Cl)c1[O-] ZINC001125436438 1018971516 /nfs/dbraw/zinc/97/15/16/1018971516.db2.gz JATVBBJXLXORIV-VIFPVBQESA-N -1 0 341.741 3.521 20 0 EHADRM O=C([N-]NC(=O)C1CCCC1)c1sc2cc(F)ccc2c1Cl ZINC000047451063 1018998114 /nfs/dbraw/zinc/99/81/14/1018998114.db2.gz SHUZJHSYOOFAAL-UHFFFAOYSA-N -1 0 340.807 3.645 20 0 EHADRM O=S(=O)(NCCc1ccsc1)c1cccc(Cl)c1Cl ZINC000513111098 1019023451 /nfs/dbraw/zinc/02/34/51/1019023451.db2.gz YDSKBHLZFPRJIE-UHFFFAOYSA-N -1 0 336.265 3.576 20 0 EHADRM Cc1cncc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)c1 ZINC000340634017 1019028162 /nfs/dbraw/zinc/02/81/62/1019028162.db2.gz XQEZZWYVJWZXRH-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM COC(=O)c1cc(C)cnc1Nc1cc(Cl)c([O-])c(Cl)c1 ZINC001210923976 1019040706 /nfs/dbraw/zinc/04/07/06/1019040706.db2.gz APIGROZGOOMDEB-UHFFFAOYSA-N -1 0 327.167 3.933 20 0 EHADRM COC(=O)c1ncc(Cl)nc1Nc1cc(Cl)c([O-])c(Cl)c1 ZINC001210925971 1019054717 /nfs/dbraw/zinc/05/47/17/1019054717.db2.gz FLYFPFVQPMLHNX-UHFFFAOYSA-N -1 0 348.573 3.673 20 0 EHADRM O=C(c1ccc(Nc2cccc([S-])c2)cc1)N1CCC(=O)CC1 ZINC001210950243 1019115717 /nfs/dbraw/zinc/11/57/17/1019115717.db2.gz VQOJUCTWHMLZKW-UHFFFAOYSA-N -1 0 326.421 3.524 20 0 EHADRM C[C@H]1CN(C(=O)c2sc3ccccc3c2Cl)CC[C@@H]1C(=O)[O-] ZINC000319572454 1019192072 /nfs/dbraw/zinc/19/20/72/1019192072.db2.gz RBYQMBZWGXUCDY-UWVGGRQHSA-N -1 0 337.828 3.738 20 0 EHADRM CC(C)[C@H](c1ccc(F)cc1)N(C)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000433575187 1019404252 /nfs/dbraw/zinc/40/42/52/1019404252.db2.gz MEESSMPRDPMWLA-GOSISDBHSA-N -1 0 342.418 3.776 20 0 EHADRM C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)N=c2[n-]nc(C3CC3)s2)C1 ZINC000580460899 1019404556 /nfs/dbraw/zinc/40/45/56/1019404556.db2.gz PFSQAGXDERUXKF-IUODEOHRSA-N -1 0 342.468 3.843 20 0 EHADRM CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000433575188 1019405243 /nfs/dbraw/zinc/40/52/43/1019405243.db2.gz MEESSMPRDPMWLA-SFHVURJKSA-N -1 0 342.418 3.776 20 0 EHADRM Cc1c(NCc2cnc(-c3ccccn3)s2)cccc1C(=O)[O-] ZINC000340697745 1019438612 /nfs/dbraw/zinc/43/86/12/1019438612.db2.gz MFXZRTCFPUDOSB-UHFFFAOYSA-N -1 0 325.393 3.824 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)NC[C@@H](C)c1c(Cl)cccc1Cl ZINC000656233545 1019481029 /nfs/dbraw/zinc/48/10/29/1019481029.db2.gz DOLWZBPDMMMJIK-VHSXEESVSA-N -1 0 332.227 3.714 20 0 EHADRM CCc1cccc(C)c1N=c1[n-]nc(SCCn2ccnc2)s1 ZINC000513251954 1019482728 /nfs/dbraw/zinc/48/27/28/1019482728.db2.gz VEAGHWQDLFYVHI-UHFFFAOYSA-N -1 0 345.497 3.563 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)N=c1[n-]nc(C3CC3)s1)CC2 ZINC000580511994 1019522844 /nfs/dbraw/zinc/52/28/44/1019522844.db2.gz OQSXEOFBKZKYPO-OAHLLOKOSA-N -1 0 342.468 3.770 20 0 EHADRM O=C(Cc1cc2ccccc2[nH]c1=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000548106800 1019539931 /nfs/dbraw/zinc/53/99/31/1019539931.db2.gz BWMXSNKBPCXVBM-UHFFFAOYSA-N -1 0 346.745 3.620 20 0 EHADRM CC(C)(CC(=O)Nc1cccc(C2SCCS2)c1)C(=O)[O-] ZINC000262212685 1019564002 /nfs/dbraw/zinc/56/40/02/1019564002.db2.gz JCVWFHMURUSPJQ-UHFFFAOYSA-N -1 0 325.455 3.605 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(C)c(OC(F)F)c2)c1 ZINC000513356839 1019578283 /nfs/dbraw/zinc/57/82/83/1019578283.db2.gz ISRVGOQXXOBOJO-UHFFFAOYSA-N -1 0 345.342 3.845 20 0 EHADRM Cc1cc(F)c(S(=O)(=O)[N-]c2nc(C(C)(C)C)cs2)cc1F ZINC000476093001 1032842000 /nfs/dbraw/zinc/84/20/00/1032842000.db2.gz ZDILAGGAYRNIQU-UHFFFAOYSA-N -1 0 346.424 3.828 20 0 EHADRM O=C([N-]S(=O)(=O)c1cccc2ccccc21)C1CCCCCC1 ZINC000408487965 1019640527 /nfs/dbraw/zinc/64/05/27/1019640527.db2.gz MRLAOUKHVNWQFD-UHFFFAOYSA-N -1 0 331.437 3.615 20 0 EHADRM CC[C@@H](C)c1ncc([N-]S(=O)(=O)c2cc(Cl)ccc2F)cn1 ZINC000340727555 1019645264 /nfs/dbraw/zinc/64/52/64/1019645264.db2.gz YTAVDGBJANGIBG-SECBINFHSA-N -1 0 343.811 3.583 20 0 EHADRM CC(C)(CCNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000262864536 1019750300 /nfs/dbraw/zinc/75/03/00/1019750300.db2.gz AYEYDILRQKMESQ-DLBZAZTESA-N -1 0 325.408 3.560 20 0 EHADRM CCC[C@H](C(=O)N(C)c1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000263023673 1019793944 /nfs/dbraw/zinc/79/39/44/1019793944.db2.gz MIOBKAWHWGFLEU-SFHVURJKSA-N -1 0 341.407 3.697 20 0 EHADRM COc1ccc(-c2cccc(C(=O)C[C@@H](C)C(=O)[O-])c2)cc1OC ZINC000580659231 1019804165 /nfs/dbraw/zinc/80/41/65/1019804165.db2.gz JAUPXIDKSYAFMN-GFCCVEGCSA-N -1 0 328.364 3.664 20 0 EHADRM CC[C@H](C(=O)NCCC(C)(C)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000263080772 1019809002 /nfs/dbraw/zinc/80/90/02/1019809002.db2.gz RZXPFFMXQDSDTE-ZDUSSCGKSA-N -1 0 345.361 3.816 20 0 EHADRM Cc1ccccc1C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC000263162759 1019829801 /nfs/dbraw/zinc/82/98/01/1019829801.db2.gz YXBDJBWBMURUTR-DLBZAZTESA-N -1 0 343.810 3.589 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1ccccc1COc1ccccc1 ZINC000263249710 1019851476 /nfs/dbraw/zinc/85/14/76/1019851476.db2.gz DPSSWDAZOOSJFJ-UHFFFAOYSA-N -1 0 327.380 3.849 20 0 EHADRM Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccc(CC(=O)[O-])cc2)c1 ZINC000263247559 1019852895 /nfs/dbraw/zinc/85/28/95/1019852895.db2.gz GLSPLVNWYYXEEX-UHFFFAOYSA-N -1 0 339.391 3.532 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000263419022 1019901459 /nfs/dbraw/zinc/90/14/59/1019901459.db2.gz IJQSSTLIKSFXOY-KEYYUXOJSA-N -1 0 343.448 3.745 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N[C@@H]1CCC[C@@H](C)CC1)C(=O)[O-] ZINC000263525453 1019923775 /nfs/dbraw/zinc/92/37/75/1019923775.db2.gz JNYMVZFPMLLLJD-MGPQQGTHSA-N -1 0 335.469 3.950 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000263526562 1019924588 /nfs/dbraw/zinc/92/45/88/1019924588.db2.gz KEISTTKIXXSCLD-FKSLSLAPSA-N -1 0 341.451 3.672 20 0 EHADRM CCc1ccc(S(=O)(=O)C(C)=C([O-])c2cc(F)ccc2F)cc1 ZINC000340774615 1019978433 /nfs/dbraw/zinc/97/84/33/1019978433.db2.gz GQFIDNVSHNDEGY-LLVKDONJSA-N -1 0 338.375 3.572 20 0 EHADRM Cc1cccc2cc(S(=O)(=O)[N-]c3cn(C)nc3C(C)C)sc21 ZINC000647132149 1020009176 /nfs/dbraw/zinc/00/91/76/1020009176.db2.gz VADNGOVTJKVKNA-UHFFFAOYSA-N -1 0 349.481 3.867 20 0 EHADRM Cc1ccc(-c2n[n-]c(=NCc3ccccc3OC(F)F)o2)c(C)c1 ZINC000580807179 1020038138 /nfs/dbraw/zinc/03/81/38/1020038138.db2.gz OQFOTKFPPLIGKQ-UHFFFAOYSA-N -1 0 345.349 3.989 20 0 EHADRM O=C(c1c([O-])cc(F)cc1F)N1CCC(F)(c2ccccc2)CC1 ZINC000684065383 1020039375 /nfs/dbraw/zinc/03/93/75/1020039375.db2.gz FPYWHYNWKMFGRO-UHFFFAOYSA-N -1 0 335.325 3.771 20 0 EHADRM Cc1oc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)nc1C1CC1 ZINC000580814972 1020058522 /nfs/dbraw/zinc/05/85/22/1020058522.db2.gz GHPCCFTYRGVAAX-UHFFFAOYSA-N -1 0 343.408 3.518 20 0 EHADRM Cc1c(NCC(C)(C)C)cccc1C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000574276446 1032875151 /nfs/dbraw/zinc/87/51/51/1032875151.db2.gz BYZCVKHHHOSUGD-HNNXBMFYSA-N -1 0 346.471 3.780 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl)c1cccs1 ZINC000237967310 1032880303 /nfs/dbraw/zinc/88/03/03/1032880303.db2.gz HGQPSTYCDWXMGQ-DYEKYZERSA-N -1 0 349.839 3.837 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CCCC3=O)s1 ZINC000580934707 1020264403 /nfs/dbraw/zinc/26/44/03/1020264403.db2.gz BGJKGWBBDBAWSO-UHFFFAOYSA-N -1 0 335.450 3.685 20 0 EHADRM CC(C)(C)c1ccc(C2(CNC(=O)CCC(=O)[O-])CCCC2)cc1 ZINC000513692907 1020325251 /nfs/dbraw/zinc/32/52/51/1020325251.db2.gz WRPRTYVXAGJRPF-UHFFFAOYSA-N -1 0 331.456 3.777 20 0 EHADRM C[C@@H](Sc1ccccn1)C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000345665129 1020436667 /nfs/dbraw/zinc/43/66/67/1020436667.db2.gz WVLBQHORLQXZGK-MRVPVSSYSA-N -1 0 326.780 3.699 20 0 EHADRM C[C@H](CC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-])Cc1cccc(F)c1 ZINC000345771240 1020501289 /nfs/dbraw/zinc/50/12/89/1020501289.db2.gz FTONFDXLQIQAGM-NZPGVSJUSA-N -1 0 347.430 3.639 20 0 EHADRM CCN(CC(=O)[O-])C(=O)Nc1ccc(Oc2cccc(C)c2)cc1 ZINC000581209945 1020519934 /nfs/dbraw/zinc/51/99/34/1020519934.db2.gz BCUDCTLKGCFAIQ-UHFFFAOYSA-N -1 0 328.368 3.726 20 0 EHADRM C[C@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)cc1)c1cccc(F)c1 ZINC000345918243 1020591481 /nfs/dbraw/zinc/59/14/81/1020591481.db2.gz YZSCDOFATBFSLA-MEDUHNTESA-N -1 0 349.789 3.915 20 0 EHADRM CC[C@@H](C)c1ccc(C([O-])=CS(=O)(=O)Cc2ccccc2)cc1 ZINC000647154978 1020737053 /nfs/dbraw/zinc/73/70/53/1020737053.db2.gz OUWQBDQRTMNCKA-OAHLLOKOSA-N -1 0 330.449 3.998 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000581373446 1020757700 /nfs/dbraw/zinc/75/77/00/1020757700.db2.gz WFLZIMSIMNDZOW-OAHLLOKOSA-N -1 0 328.368 3.514 20 0 EHADRM COc1cc(/C=C\C(=O)c2ccccc2Cl)cc([N+](=O)[O-])c1[O-] ZINC000211373049 1020870116 /nfs/dbraw/zinc/87/01/16/1020870116.db2.gz ROWBHDGAYNEKLU-SREVYHEPSA-N -1 0 333.727 3.859 20 0 EHADRM CCCCOc1ccc(C[NH2+][C@H](CC(=O)[O-])c2ccncc2)cc1 ZINC000656567339 1020923940 /nfs/dbraw/zinc/92/39/40/1020923940.db2.gz NJMYRCZOZASOOV-GOSISDBHSA-N -1 0 328.412 3.566 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NCc1ccc(O[C@@H]2CCOC2)cc1 ZINC000656573370 1020943269 /nfs/dbraw/zinc/94/32/69/1020943269.db2.gz NYSJBXGHAHVQFE-QGZVFWFLSA-N -1 0 341.407 3.781 20 0 EHADRM Cc1ccc(-c2ncc(CN[C@@H](CC(=O)[O-])c3ccc(C)o3)s2)o1 ZINC000426768998 1021058418 /nfs/dbraw/zinc/05/84/18/1021058418.db2.gz FAEHULKJWAVIJR-ZDUSSCGKSA-N -1 0 346.408 3.919 20 0 EHADRM CO[C@H](CS(=O)(=O)Nc1cccc(C(C)(F)F)c1)C1CCCC1 ZINC000656629396 1021062916 /nfs/dbraw/zinc/06/29/16/1021062916.db2.gz UXQUTPVXKFANNL-OAHLLOKOSA-N -1 0 347.427 3.745 20 0 EHADRM COCc1ccc([N-]S(=O)(=O)c2ccc(C)o2)cc1C(F)(F)F ZINC000656635178 1021064818 /nfs/dbraw/zinc/06/48/18/1021064818.db2.gz RCSZVPIVHUHUOT-UHFFFAOYSA-N -1 0 349.330 3.554 20 0 EHADRM CCc1ncc(S(=O)(=O)[N-]c2cc(SC)ccc2Cl)s1 ZINC000656633327 1021066300 /nfs/dbraw/zinc/06/63/00/1021066300.db2.gz CJLRQVJZVKSKHM-UHFFFAOYSA-N -1 0 348.902 3.882 20 0 EHADRM CCC[C@H]1CCC[C@@H]1C(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1 ZINC000581560022 1021088165 /nfs/dbraw/zinc/08/81/65/1021088165.db2.gz SELXYOFCZUYOLK-DKIMLUQUSA-N -1 0 329.440 3.530 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(Cl)cc(Br)c2[O-])C[C@H]1C ZINC000439116561 1021161795 /nfs/dbraw/zinc/16/17/95/1021161795.db2.gz PNKNMTVQBBWTOT-HTQZYQBOSA-N -1 0 332.625 3.536 20 0 EHADRM CCCC(CCC)C(=O)[N-]S(=O)(=O)c1c(C)ccc2cccnc21 ZINC000785051393 1021174742 /nfs/dbraw/zinc/17/47/42/1021174742.db2.gz FKNPUFDAECKGJG-UHFFFAOYSA-N -1 0 348.468 3.565 20 0 EHADRM CCc1ccc(C(=O)Nc2cc(-c3ccnn3C)ccc2C)c(O)c1 ZINC000436779172 1021206899 /nfs/dbraw/zinc/20/68/99/1021206899.db2.gz UKEMUBCWXLRKJQ-UHFFFAOYSA-N -1 0 335.407 3.916 20 0 EHADRM O=C(NCC1(c2ccncc2)CCCC1)c1ccc([O-])c(Cl)c1 ZINC000436763259 1021211753 /nfs/dbraw/zinc/21/17/53/1021211753.db2.gz JGPIQIGCXQXXDG-UHFFFAOYSA-N -1 0 330.815 3.682 20 0 EHADRM COc1c(F)cc(F)cc1NC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436798622 1021220536 /nfs/dbraw/zinc/22/05/36/1021220536.db2.gz UTDOBJJBJGWPKE-UHFFFAOYSA-N -1 0 331.677 3.724 20 0 EHADRM FC(F)(F)c1n[n-]c(=NC[C@H]2CCCC[C@H]2C(F)(F)F)s1 ZINC000436784863 1021225386 /nfs/dbraw/zinc/22/53/86/1021225386.db2.gz ZBZVAYSFLCENJL-RNFRBKRXSA-N -1 0 333.301 3.759 20 0 EHADRM CCc1ccc(C)nc1[N-]S(=O)(=O)c1c(C)n(C)c2ccccc21 ZINC000656737377 1021231549 /nfs/dbraw/zinc/23/15/49/1021231549.db2.gz CKNRAIIDQKCYPS-UHFFFAOYSA-N -1 0 343.452 3.553 20 0 EHADRM C[C@@H]1CCN(C(=O)N=c2nc(-c3ccccc3)[n-]s2)CC1(C)C ZINC000546131811 1021240822 /nfs/dbraw/zinc/24/08/22/1021240822.db2.gz LZLQOJHMXULWEB-GFCCVEGCSA-N -1 0 330.457 3.527 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(Cl)cc(F)c2N)c1 ZINC000436837970 1021271123 /nfs/dbraw/zinc/27/11/23/1021271123.db2.gz PJCKSULLFKPZCN-UHFFFAOYSA-N -1 0 336.750 3.612 20 0 EHADRM COC(=O)c1ccc(C(C)C)c(NC(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000436842343 1021286045 /nfs/dbraw/zinc/28/60/45/1021286045.db2.gz VILARHNHIDRGEW-UHFFFAOYSA-N -1 0 349.333 3.833 20 0 EHADRM CCCC[C@H](C(=O)[O-])N1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000518546304 1021288256 /nfs/dbraw/zinc/28/82/56/1021288256.db2.gz DWOWKKMHCYEHER-CABCVRRESA-N -1 0 345.361 3.722 20 0 EHADRM CC1(C)CO[C@@H](c2cccc(F)c2)CN1Cc1csc(C(=O)[O-])c1 ZINC000656764626 1021290993 /nfs/dbraw/zinc/29/09/93/1021290993.db2.gz CZNVCFDCOAYHDJ-OAHLLOKOSA-N -1 0 349.427 3.938 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc(F)cc(Br)c2[O-])C[C@@H](C)C1 ZINC000436862756 1021299589 /nfs/dbraw/zinc/29/95/89/1021299589.db2.gz IBXATZNYAISVKO-UWVGGRQHSA-N -1 0 344.224 3.802 20 0 EHADRM CCN(Cc1cccc(F)c1)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436861451 1021300947 /nfs/dbraw/zinc/30/09/47/1021300947.db2.gz BENIUCMSRMWCIO-UHFFFAOYSA-N -1 0 325.742 3.986 20 0 EHADRM O=C(NCc1cccc(-c2ncc[nH]2)c1)c1cc(F)cc(Cl)c1[O-] ZINC000436864508 1021304364 /nfs/dbraw/zinc/30/43/64/1021304364.db2.gz ZJYACTGSLCGUDI-UHFFFAOYSA-N -1 0 345.761 3.505 20 0 EHADRM COc1ccc(/C=C/c2nc3c(cccc3C(=O)[O-])o2)c(OC)c1 ZINC000439273685 1021308955 /nfs/dbraw/zinc/30/89/55/1021308955.db2.gz KUBXLCOUYYGHNQ-VQHVLOKHSA-N -1 0 325.320 3.714 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CCCOc2ccc(F)cc2)c1 ZINC000436869779 1021312387 /nfs/dbraw/zinc/31/23/87/1021312387.db2.gz LIDHBNWDTWSZLS-UHFFFAOYSA-N -1 0 331.343 3.532 20 0 EHADRM COc1ccc(/C=C/c2nc3cc(C(=O)[O-])ccc3o2)cc1OC ZINC000439277084 1021313012 /nfs/dbraw/zinc/31/30/12/1021313012.db2.gz RRDLHDSQIIJVJU-XBXARRHUSA-N -1 0 325.320 3.714 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2nccs2)cc1)c1ccccc1F ZINC000096743689 1032974371 /nfs/dbraw/zinc/97/43/71/1032974371.db2.gz POINEXPBQMSYTK-UHFFFAOYSA-N -1 0 334.397 3.750 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)c1 ZINC000436877385 1021328052 /nfs/dbraw/zinc/32/80/52/1021328052.db2.gz OUHAJZISLQAFJX-KBPBESRZSA-N -1 0 331.318 3.615 20 0 EHADRM O=C(Nc1cccc(-c2c[nH]nn2)c1)c1c([O-])cc(Cl)cc1Cl ZINC000436883382 1021335868 /nfs/dbraw/zinc/33/58/68/1021335868.db2.gz FEEUIMKNZQZEMN-UHFFFAOYSA-N -1 0 349.177 3.736 20 0 EHADRM CCn1nc(C(C)C)cc1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000436906475 1021350844 /nfs/dbraw/zinc/35/08/44/1021350844.db2.gz QMWLNEUSHRBFSB-UHFFFAOYSA-N -1 0 325.771 3.777 20 0 EHADRM CCC(CC)n1ccc(C(=O)Nc2cc(F)cc(Cl)c2[O-])n1 ZINC000436909225 1021352791 /nfs/dbraw/zinc/35/27/91/1021352791.db2.gz XZYJUGWGVDDLPD-UHFFFAOYSA-N -1 0 325.771 3.995 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1ccc(CC(F)(F)F)cc1 ZINC000157865115 1021360194 /nfs/dbraw/zinc/36/01/94/1021360194.db2.gz ZJRLZCUYCOMDAR-UHFFFAOYSA-N -1 0 345.342 3.601 20 0 EHADRM Cn1nccc1/C=C(/CC(=O)[O-])c1nc2cc(Cl)ccc2s1 ZINC000518602827 1021364226 /nfs/dbraw/zinc/36/42/26/1021364226.db2.gz NYZVKISNFNOJPG-TWGQIWQCSA-N -1 0 333.800 3.699 20 0 EHADRM C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc([O-])c(Cl)c1 ZINC000436916251 1021371171 /nfs/dbraw/zinc/37/11/71/1021371171.db2.gz VIRXWKRNMOAHKD-PIGZYNQJSA-N -1 0 331.799 3.510 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1cc(C)c(F)cc1Cl ZINC000507581304 1021371265 /nfs/dbraw/zinc/37/12/65/1021371265.db2.gz IUJFJFDXQWNXRQ-UHFFFAOYSA-N -1 0 335.809 3.658 20 0 EHADRM O=S(=O)([N-]c1ccc2nc(C(F)F)sc2c1)c1ccco1 ZINC000507584600 1021375648 /nfs/dbraw/zinc/37/56/48/1021375648.db2.gz SAFIZPHHXXSCHM-UHFFFAOYSA-N -1 0 330.337 3.628 20 0 EHADRM Cc1c(NC(=O)CC2(C(=O)[O-])CCCC2)cccc1-c1ncco1 ZINC000427438228 1021402261 /nfs/dbraw/zinc/40/22/61/1021402261.db2.gz DQWQRPRTBHBPIG-UHFFFAOYSA-N -1 0 328.368 3.624 20 0 EHADRM CC(C)(C)c1csc([N-]S(=O)(=O)c2cccc(F)c2F)n1 ZINC000516435645 1021423078 /nfs/dbraw/zinc/42/30/78/1021423078.db2.gz VARVBYUIBHQPGL-UHFFFAOYSA-N -1 0 332.397 3.520 20 0 EHADRM Cc1ccccc1C1(CNC(=O)c2cc(F)c([O-])c(Cl)c2)CC1 ZINC000436971769 1021425324 /nfs/dbraw/zinc/42/53/24/1021425324.db2.gz LGZKEDZNUKMRNM-UHFFFAOYSA-N -1 0 333.790 3.955 20 0 EHADRM COc1cccc([C@H]2C[C@@H](C)CN2C(=O)c2c([O-])cccc2F)c1 ZINC000436975393 1021430803 /nfs/dbraw/zinc/43/08/03/1021430803.db2.gz KERKVFRGXIZIRM-MLGOLLRUSA-N -1 0 329.371 3.763 20 0 EHADRM CCOc1cccc([C@@H]2C[C@@H]2NC(=O)c2cc(F)c([O-])c(Cl)c2)c1 ZINC000436994506 1021450908 /nfs/dbraw/zinc/45/09/08/1021450908.db2.gz DGDTVVFLCWKMAU-BBRMVZONSA-N -1 0 349.789 3.869 20 0 EHADRM CC(C)[C@H](Sc1ccccc1)C(=O)N1C[C@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000341346480 1021480637 /nfs/dbraw/zinc/48/06/37/1021480637.db2.gz GRJSSOZQFVHPFI-SIXWZSSISA-N -1 0 347.480 3.517 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2csc3ccccc32)cc(OC)c1 ZINC000506591786 1021481679 /nfs/dbraw/zinc/48/16/79/1021481679.db2.gz CZYDPHYLAVXUJZ-UHFFFAOYSA-N -1 0 349.433 3.719 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccsc2)n(C(C)(C)C)n1 ZINC000506623391 1021579087 /nfs/dbraw/zinc/57/90/87/1021579087.db2.gz JWLVWXWEUGREBJ-UHFFFAOYSA-N -1 0 341.502 3.798 20 0 EHADRM O=S(=O)(CCC1CCCC1)[N-]c1nnc(-c2ccccc2)s1 ZINC000519625242 1021579884 /nfs/dbraw/zinc/57/98/84/1021579884.db2.gz QIXRTRYYVLYWKR-UHFFFAOYSA-N -1 0 337.470 3.527 20 0 EHADRM O=C([O-])[C@H](CC1CC1)NC(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000581710872 1021592964 /nfs/dbraw/zinc/59/29/64/1021592964.db2.gz UXCYMHNWELYSNT-ZDUSSCGKSA-N -1 0 344.333 3.556 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)N(C)C2(C(=O)[O-])CCCCC2)c1C ZINC000519741894 1021653674 /nfs/dbraw/zinc/65/36/74/1021653674.db2.gz OWSNIYQRVNSUDK-HNNXBMFYSA-N -1 0 332.444 3.793 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ncc(-c2ccccc2)s1 ZINC000437301865 1021714164 /nfs/dbraw/zinc/71/41/64/1021714164.db2.gz BGSWHVRLODEGCC-UHFFFAOYSA-N -1 0 336.463 3.981 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000516770547 1021716459 /nfs/dbraw/zinc/71/64/59/1021716459.db2.gz NRHBAFYRLLGIQU-ZANVPECISA-N -1 0 335.400 3.532 20 0 EHADRM CCCc1ccc(C(=O)N=c2[n-]nc(-c3ccsc3)s2)cc1 ZINC000516781046 1021724942 /nfs/dbraw/zinc/72/49/42/1021724942.db2.gz FINVLYHAXCOKBS-UHFFFAOYSA-N -1 0 329.450 3.893 20 0 EHADRM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C1CCCCC1)c1ccc(OC)cc1 ZINC000439904882 1021803353 /nfs/dbraw/zinc/80/33/53/1021803353.db2.gz STRBFRIHMBJVIN-MSOLQXFVSA-N -1 0 347.455 3.729 20 0 EHADRM Cc1c(C(=O)[O-])sc2ncnc(N3CCc4ccccc4[C@@H]3C)c12 ZINC000581826749 1021828365 /nfs/dbraw/zinc/82/83/65/1021828365.db2.gz OIDMWKNMNNFBQV-NSHDSACASA-N -1 0 339.420 3.822 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1ccc(C2CCC2)cc1)Cc1ccccc1 ZINC000439924841 1021831558 /nfs/dbraw/zinc/83/15/58/1021831558.db2.gz PNDZEENUFRLSPI-LJQANCHMSA-N -1 0 337.419 3.627 20 0 EHADRM CC(C)c1ccc(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])s1 ZINC000439941613 1021836665 /nfs/dbraw/zinc/83/66/65/1021836665.db2.gz GCXDZOFVHSXNHL-ZDUSSCGKSA-N -1 0 349.427 3.684 20 0 EHADRM Clc1cccc(OCCCSc2n[n-]c(=NC3CC3)s2)c1 ZINC000519989744 1021848244 /nfs/dbraw/zinc/84/82/44/1021848244.db2.gz KSJLKOJREVKKFV-UHFFFAOYSA-N -1 0 341.889 3.749 20 0 EHADRM COc1ccc([C@H](C)[C@H](C)Nc2cccc(CC(=O)[O-])c2)cc1OC ZINC000516914440 1021848700 /nfs/dbraw/zinc/84/87/00/1021848700.db2.gz NTEUAPJGMQHPKY-KGLIPLIRSA-N -1 0 343.423 3.935 20 0 EHADRM Cc1n[n-]c(=NC(=O)N2CCCCC[C@H]2/C=C\c2ccccc2)s1 ZINC000440922899 1021873310 /nfs/dbraw/zinc/87/33/10/1021873310.db2.gz ZQGRBHDDIBYVJC-JNSOCZORSA-N -1 0 342.468 3.758 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1Cl)C1CCCCC1 ZINC000516988549 1021925561 /nfs/dbraw/zinc/92/55/61/1021925561.db2.gz YAFZQLBLDLVUHH-ZOBUZTSGSA-N -1 0 349.858 3.983 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N[C@H](c1ccccc1F)C1CCCC1 ZINC000909416105 1021940870 /nfs/dbraw/zinc/94/08/70/1021940870.db2.gz VGPADJGQJHHKRL-SFHVURJKSA-N -1 0 345.370 3.707 20 0 EHADRM CC[C@@H](C)[C@@H](C(=O)NCCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000327775148 1033018348 /nfs/dbraw/zinc/01/83/48/1033018348.db2.gz WZXBKNLCPAFQGD-DNVCBOLYSA-N -1 0 339.435 3.873 20 0 EHADRM C=Cc1ccc(S(=O)(=O)[N-]c2cc(C)n([C@@H](C)C3CC3)n2)cc1 ZINC000519347406 1022026395 /nfs/dbraw/zinc/02/63/95/1022026395.db2.gz NOFTWGXLULTGEN-ZDUSSCGKSA-N -1 0 331.441 3.606 20 0 EHADRM Cc1cc(CN2CCO[C@H](c3cccc(Cl)c3)C2)oc1C(=O)[O-] ZINC000520242089 1022051848 /nfs/dbraw/zinc/05/18/48/1022051848.db2.gz YXVZQQSONBTLSI-HNNXBMFYSA-N -1 0 335.787 3.513 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2nccn2-c2ccccc2)c1Cl ZINC000430672498 1022118361 /nfs/dbraw/zinc/11/83/61/1022118361.db2.gz UONHFGZHFDFUCA-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM Cc1ccc([C@H]2CCCN2Cc2c([O-])nnn2-c2ccccc2)cc1C ZINC000520354620 1022156461 /nfs/dbraw/zinc/15/64/61/1022156461.db2.gz JYFSFAWXMGFANY-LJQANCHMSA-N -1 0 348.450 3.927 20 0 EHADRM CC[C@H]1CCC[C@H](NC(=O)N=c2[n-]nc(Cc3ccccc3)s2)C1 ZINC000607193994 1033034447 /nfs/dbraw/zinc/03/44/47/1033034447.db2.gz FANDBEWJQFYPFR-ZFWWWQNUSA-N -1 0 344.484 3.641 20 0 EHADRM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000128654306 1033036021 /nfs/dbraw/zinc/03/60/21/1033036021.db2.gz JWVXYSCFLHKKDY-GZBFAFLISA-N -1 0 341.411 3.575 20 0 EHADRM C[C@H](N=c1nc(C(C)(C)C)[n-]s1)c1nccn1-c1ccccc1 ZINC000581905436 1022257508 /nfs/dbraw/zinc/25/75/08/1022257508.db2.gz FISJCENPHTXMAI-LBPRGKRZSA-N -1 0 327.457 3.616 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)c1[nH]c2ccc(F)cc2c1Cl)C(=O)[O-] ZINC000517376607 1022294257 /nfs/dbraw/zinc/29/42/57/1022294257.db2.gz CHVCPWCEYFSIDR-UFBFGSQYSA-N -1 0 340.782 3.580 20 0 EHADRM Cc1nc(CNCc2csc(-c3ccsc3)n2)ccc1C(=O)[O-] ZINC000426660074 1022396650 /nfs/dbraw/zinc/39/66/50/1022396650.db2.gz LHHYPIPIPACYSK-UHFFFAOYSA-N -1 0 345.449 3.563 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2O)sc1Cl ZINC000188450104 1022422045 /nfs/dbraw/zinc/42/20/45/1022422045.db2.gz HRDFTGNRLNVUIL-UHFFFAOYSA-N -1 0 338.237 3.870 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nsc(-c3ccccc3)n2)cc1C ZINC000476197215 1033051319 /nfs/dbraw/zinc/05/13/19/1033051319.db2.gz QRPKLMYLQZNOFZ-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM O=C(c1cc(Cl)ccc1O)N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000085650483 1022451515 /nfs/dbraw/zinc/45/15/15/1022451515.db2.gz ASKBTWXILQKYEV-UHFFFAOYSA-N -1 0 337.753 3.639 20 0 EHADRM Cc1ccccc1CS(=O)(=O)[N-][C@@H](c1ccccc1)C(F)(F)F ZINC000111329793 1022481922 /nfs/dbraw/zinc/48/19/22/1022481922.db2.gz HYHYSMZPTLYZNV-HNNXBMFYSA-N -1 0 343.370 3.718 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)C[C@H]3CC3(C)C)n2)cc1 ZINC001167973593 1022490868 /nfs/dbraw/zinc/49/08/68/1022490868.db2.gz UOPSFPZVSRRXOC-OAHLLOKOSA-N -1 0 341.455 3.819 20 0 EHADRM CO[C@H](C)c1nc(CN=c2nc(C3CCCCC3)[n-]s2)cs1 ZINC000517728235 1022616596 /nfs/dbraw/zinc/61/65/96/1022616596.db2.gz VBOJYWZEKUUBIB-SNVBAGLBSA-N -1 0 338.502 3.784 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N2CCC[C@@H]2CC(C)(C)C)s1 ZINC000330705673 1022656471 /nfs/dbraw/zinc/65/64/71/1022656471.db2.gz KYFYGADFBSXLJN-SNVBAGLBSA-N -1 0 328.507 3.505 20 0 EHADRM C[C@H](CN(C)C(=O)Nc1cc(Cl)ccc1C(C)(C)C)C(=O)[O-] ZINC000669505865 1033077237 /nfs/dbraw/zinc/07/72/37/1033077237.db2.gz MXNAUBGJDIKKSH-SNVBAGLBSA-N -1 0 326.824 3.822 20 0 EHADRM CCc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2)s1 ZINC000048518082 1022760478 /nfs/dbraw/zinc/76/04/78/1022760478.db2.gz RQZPDRROCQVSEA-UHFFFAOYSA-N -1 0 329.830 3.657 20 0 EHADRM CCC[C@@H](C(=O)[O-])[S@](=O)Cc1ccccc1OCc1ccccc1 ZINC000593931901 1033080062 /nfs/dbraw/zinc/08/00/62/1033080062.db2.gz PGIWMBHTMWGWBS-MHECFPHRSA-N -1 0 346.448 3.768 20 0 EHADRM CCc1nc([N-]S(=O)(=O)c2ccc(SC)cc2)sc1C ZINC000171155579 1033082934 /nfs/dbraw/zinc/08/29/34/1033082934.db2.gz NJOFSUDGFHEPJV-UHFFFAOYSA-N -1 0 328.484 3.537 20 0 EHADRM CCSc1ccccc1C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655586309 1022831101 /nfs/dbraw/zinc/83/11/01/1022831101.db2.gz QLWCFECTTNAZIP-KWCYVHTRSA-N -1 0 335.469 3.664 20 0 EHADRM CC(C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1)=C1CCCC1 ZINC000370698025 1033087093 /nfs/dbraw/zinc/08/70/93/1033087093.db2.gz MODOZBTZCWQMTR-UHFFFAOYSA-N -1 0 327.424 3.981 20 0 EHADRM CC[C@@H](C)CN(CC)C(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000473817425 1022879438 /nfs/dbraw/zinc/87/94/38/1022879438.db2.gz JNBOREVVLJCLPZ-SNVBAGLBSA-N -1 0 338.502 3.897 20 0 EHADRM O=C(Nc1ccc2ncccc2c1)c1cccc(Br)c1[O-] ZINC000518030832 1022942356 /nfs/dbraw/zinc/94/23/56/1022942356.db2.gz XHHHRBBXNNLLSS-UHFFFAOYSA-N -1 0 343.180 3.955 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)[C@@H]1CCCc2ccccc21 ZINC000262057952 1022943066 /nfs/dbraw/zinc/94/30/66/1022943066.db2.gz GOTWSHLCDSIUDL-RTBURBONSA-N -1 0 337.419 3.747 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)c2ccc(F)cc2)s1)c1ccccc1 ZINC000518040549 1022951972 /nfs/dbraw/zinc/95/19/72/1022951972.db2.gz IPFCDPICGFJTOW-OAHLLOKOSA-N -1 0 341.411 3.893 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2nc3cc(Cl)ccc3n2C)c1 ZINC000518062183 1022966199 /nfs/dbraw/zinc/96/61/99/1022966199.db2.gz PCWGWBDYNVLYAZ-UHFFFAOYSA-N -1 0 349.843 3.644 20 0 EHADRM CC(C)c1nn(-c2ccccc2)cc1CNCc1cc(C(=O)[O-])co1 ZINC000426699382 1022970276 /nfs/dbraw/zinc/97/02/76/1022970276.db2.gz INPLMHFYVIZQFM-UHFFFAOYSA-N -1 0 339.395 3.577 20 0 EHADRM CC[C@]1(CO)CCCN1C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000189153343 1022980812 /nfs/dbraw/zinc/98/08/12/1022980812.db2.gz HKKSHTMKBFOYRT-GOSISDBHSA-N -1 0 333.815 3.576 20 0 EHADRM COc1cc(Cl)c(CNCc2cc(C(=O)[O-])co2)cc1Cl ZINC000426714629 1022982166 /nfs/dbraw/zinc/98/21/66/1022982166.db2.gz NLJRQUDGEJAAJM-UHFFFAOYSA-N -1 0 330.167 3.583 20 0 EHADRM Cc1cc(Cl)ccc1CN[C@H](C(=O)[O-])c1c(F)cccc1F ZINC000426737824 1023006183 /nfs/dbraw/zinc/00/61/83/1023006183.db2.gz QPDZJERSTJOLJP-HNNXBMFYSA-N -1 0 325.742 3.842 20 0 EHADRM Cc1cc(C)cc([C@H](NCc2csc(C(C)(C)C)n2)C(=O)[O-])c1 ZINC000426761984 1023030585 /nfs/dbraw/zinc/03/05/85/1023030585.db2.gz GBRBXGUYRPPZHU-HNNXBMFYSA-N -1 0 332.469 3.973 20 0 EHADRM CC[C@@H](C)c1ncc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cn1 ZINC000340979769 1023044604 /nfs/dbraw/zinc/04/46/04/1023044604.db2.gz YEMLYZGYHBEPMY-SNVBAGLBSA-N -1 0 341.383 3.729 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cc(C)cc3cccnc32)cc1 ZINC000507001611 1023059503 /nfs/dbraw/zinc/05/95/03/1023059503.db2.gz JZLTVNTZYCOOIV-UHFFFAOYSA-N -1 0 326.421 3.906 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccnn2C2CCCCC2)sc1C ZINC000091016485 1023065669 /nfs/dbraw/zinc/06/56/69/1023065669.db2.gz BGAADOVBCHZQEF-UHFFFAOYSA-N -1 0 339.486 3.867 20 0 EHADRM O=C([O-])[C@@H](NCc1sccc1Br)c1cccc(F)c1 ZINC000426820650 1023067155 /nfs/dbraw/zinc/06/71/55/1023067155.db2.gz MFSRJXHHTNBOLI-LBPRGKRZSA-N -1 0 344.205 3.565 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N[C@@H](C)Cc2ccsc2)s1 ZINC000518177486 1023085495 /nfs/dbraw/zinc/08/54/95/1023085495.db2.gz RHNUVYYTIGAHNS-JTQLQIEISA-N -1 0 338.502 3.678 20 0 EHADRM O=C(c1nn(-c2ccc(F)cc2)cc1[O-])N1CCCC12CCCCC2 ZINC000536375575 1023091475 /nfs/dbraw/zinc/09/14/75/1023091475.db2.gz XSJLIYSKSCMJJP-UHFFFAOYSA-N -1 0 343.402 3.656 20 0 EHADRM CO[C@@H](CNC(=O)c1cccc(Cl)c1[O-])c1ccc(Cl)cc1 ZINC001126462829 1023097418 /nfs/dbraw/zinc/09/74/18/1023097418.db2.gz ZQRDIIBNODHFHQ-AWEZNQCLSA-N -1 0 340.206 3.817 20 0 EHADRM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1c([O-])cc(F)cc1F ZINC000127390396 1023166758 /nfs/dbraw/zinc/16/67/58/1023166758.db2.gz DRWBTVNYSLHKCD-MRVPVSSYSA-N -1 0 327.277 3.782 20 0 EHADRM Cc1ccccc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000427106428 1023219866 /nfs/dbraw/zinc/21/98/66/1023219866.db2.gz FYQZWHRSOYZKCT-UHFFFAOYSA-N -1 0 349.305 3.834 20 0 EHADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000439045514 1023231214 /nfs/dbraw/zinc/23/12/14/1023231214.db2.gz KFNIIZMLPKPJFT-UHFFFAOYSA-N -1 0 325.455 3.855 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)Nc1cc(C(C)=O)ccc1[O-] ZINC000476296858 1033116268 /nfs/dbraw/zinc/11/62/68/1033116268.db2.gz PNCIXIKPFGOOPQ-QGZVFWFLSA-N -1 0 327.380 3.699 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)Nc1cc(C(C)=O)ccc1[O-] ZINC000476321231 1033118313 /nfs/dbraw/zinc/11/83/13/1033118313.db2.gz LVSZTMFPVYDOLZ-CYBMUJFWSA-N -1 0 341.407 3.811 20 0 EHADRM CCOCc1ccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)cc1 ZINC000471960395 1023438468 /nfs/dbraw/zinc/43/84/68/1023438468.db2.gz HHURDLMDXBIMEO-UHFFFAOYSA-N -1 0 348.399 3.644 20 0 EHADRM COc1cccc(-c2nc(=NC(=O)c3cc(C)cc(C)c3)s[n-]2)c1 ZINC000476318243 1033132530 /nfs/dbraw/zinc/13/25/30/1033132530.db2.gz AGWBGOMVLGKXMB-UHFFFAOYSA-N -1 0 339.420 3.505 20 0 EHADRM CCC(CC)N(C(=O)N=c1[n-]nc(-c2ccccc2)s1)C1CC1 ZINC000548482635 1023472886 /nfs/dbraw/zinc/47/28/86/1023472886.db2.gz NPLNLWBDNWPAAL-UHFFFAOYSA-N -1 0 330.457 3.812 20 0 EHADRM O=C(Nc1ccc2ncccc2c1)c1ccc(Br)c([O-])c1 ZINC000133245707 1023482768 /nfs/dbraw/zinc/48/27/68/1023482768.db2.gz JSRSNVZEWFMIOB-UHFFFAOYSA-N -1 0 343.180 3.955 20 0 EHADRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)nn1-c1ccccc1 ZINC000471977538 1023689260 /nfs/dbraw/zinc/68/92/60/1023689260.db2.gz IAMLVQUWWLJMGS-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM CSc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C)c(F)c1 ZINC000471979923 1023738216 /nfs/dbraw/zinc/73/82/16/1023738216.db2.gz QFCQLGDOTQMPPX-UHFFFAOYSA-N -1 0 325.430 3.965 20 0 EHADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)CC1CCC(c2ccccc2)CC1 ZINC000785086153 1023861690 /nfs/dbraw/zinc/86/16/90/1023861690.db2.gz REWNBMAGKREDBE-UQPPLGOBSA-N -1 0 337.485 3.595 20 0 EHADRM Cc1ccc(-c2cc(C(=O)Nc3cc(C(=O)[O-])c(C)cc3C)n[nH]2)cc1 ZINC000471990994 1023948160 /nfs/dbraw/zinc/94/81/60/1023948160.db2.gz ZOVYJVKJUXFUEL-UHFFFAOYSA-N -1 0 349.390 3.952 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)F)cc1F ZINC000443460331 1023953788 /nfs/dbraw/zinc/95/37/88/1023953788.db2.gz KXJMWYWZFMNEQU-UHFFFAOYSA-N -1 0 345.342 3.790 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccccc2Oc2ccccc2)n1 ZINC000326881449 1023954775 /nfs/dbraw/zinc/95/47/75/1023954775.db2.gz CGYCRDOGAPPRGQ-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM COc1ccc(Oc2ccc(CN=c3[n-]nc(C(F)F)o3)cc2)cc1 ZINC000346057759 1023980003 /nfs/dbraw/zinc/98/00/03/1023980003.db2.gz HMOCKCAVONJCFN-UHFFFAOYSA-N -1 0 347.321 3.842 20 0 EHADRM Cc1noc2ncc(S(=O)(=O)[N-]c3cccc4ccsc43)cc12 ZINC000443479418 1024023502 /nfs/dbraw/zinc/02/35/02/1024023502.db2.gz XNHJTTLHDYTPDN-UHFFFAOYSA-N -1 0 345.405 3.547 20 0 EHADRM O=C([O-])CCc1cc(-c2ccccc2OC[C@H]2CCOC2)ccc1F ZINC000657204037 1024081719 /nfs/dbraw/zinc/08/17/19/1024081719.db2.gz FXXZYDJFVHBHKN-AWEZNQCLSA-N -1 0 344.382 3.925 20 0 EHADRM CCCOCCOc1cccc(-c2cn(C(C)(C)C)nc2C(=O)[O-])c1 ZINC000657203724 1024083401 /nfs/dbraw/zinc/08/34/01/1024083401.db2.gz WOJQUUQZRVLJFF-UHFFFAOYSA-N -1 0 346.427 3.809 20 0 EHADRM Cc1cc(-c2ccc(C3(C(=O)[O-])CC3)cc2)ccc1O[C@@H]1CCOC1 ZINC000657204875 1024087910 /nfs/dbraw/zinc/08/79/10/1024087910.db2.gz WFSIHSJEEAEFMJ-GOSISDBHSA-N -1 0 338.403 3.946 20 0 EHADRM C[C@H](Sc1ccc(-c2cc(C(F)(F)F)nn2C)cc1)C(=O)[O-] ZINC000657205814 1024092973 /nfs/dbraw/zinc/09/29/73/1024092973.db2.gz LVBOPUDNIWJOLI-QMMMGPOBSA-N -1 0 330.331 3.671 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N2CCC[C@H](C(C)(C)C)CC2)s1 ZINC000522625736 1024113951 /nfs/dbraw/zinc/11/39/51/1024113951.db2.gz YDJBPPHSLDBDQU-NSHDSACASA-N -1 0 342.534 3.752 20 0 EHADRM Cc1cccc(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c1Cl ZINC000191526730 1024117820 /nfs/dbraw/zinc/11/78/20/1024117820.db2.gz WAQZRCFLEQHQSK-HNNXBMFYSA-N -1 0 345.826 3.854 20 0 EHADRM COc1cc(OC)cc(-c2cccc(C(=O)C[C@@H](C)C(=O)[O-])c2)c1 ZINC000657208101 1024128961 /nfs/dbraw/zinc/12/89/61/1024128961.db2.gz OVWDWQJZUNASKT-GFCCVEGCSA-N -1 0 328.364 3.664 20 0 EHADRM O=C([O-])CCCOc1ccccc1-c1cccc2c1OCCCO2 ZINC000657207401 1024130267 /nfs/dbraw/zinc/13/02/67/1024130267.db2.gz KSZGUJFBRFAIIH-UHFFFAOYSA-N -1 0 328.364 3.759 20 0 EHADRM CC[C@@H]1CCc2nc([N-]S(=O)(=O)Cc3ccccc3)sc2C1 ZINC000536500876 1024174805 /nfs/dbraw/zinc/17/48/05/1024174805.db2.gz BHLZXVKWJVGQFY-GFCCVEGCSA-N -1 0 336.482 3.600 20 0 EHADRM Cc1[n-]n(-c2ccccc2Cl)c(=O)c1C(=O)Nc1ccc(C)cc1 ZINC000505445123 1024200949 /nfs/dbraw/zinc/20/09/49/1024200949.db2.gz WFVGRYCVDNEEMG-MRXNPFEDSA-N -1 0 341.798 3.626 20 0 EHADRM C[C@H](Sc1ccc(NCc2ccc3c(c2)OCCO3)cc1)C(=O)[O-] ZINC000417643797 1024239532 /nfs/dbraw/zinc/23/95/32/1024239532.db2.gz AXMWTANTKBNACY-LBPRGKRZSA-N -1 0 345.420 3.635 20 0 EHADRM CC(C)C[C@H]1OCCC[C@H]1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000192548114 1024256625 /nfs/dbraw/zinc/25/66/25/1024256625.db2.gz NRXNMQTUKKYCLV-ZIAGYGMSSA-N -1 0 329.799 3.508 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2cc(Cl)ccc2F)cc1)C(=O)[O-] ZINC000191393683 1024292701 /nfs/dbraw/zinc/29/27/01/1024292701.db2.gz CCVXSECFCJMAHN-SNVBAGLBSA-N -1 0 335.762 3.995 20 0 EHADRM C[C@H](NC(=O)CC1(CC(=O)[O-])CCCCC1)c1ccc(F)cc1F ZINC000324199319 1024299250 /nfs/dbraw/zinc/29/92/50/1024299250.db2.gz LPCVGXHQMHXCRF-LBPRGKRZSA-N -1 0 339.382 3.957 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC000191406993 1024306191 /nfs/dbraw/zinc/30/61/91/1024306191.db2.gz BOOGNDJDCWEQNG-GFCCVEGCSA-N -1 0 331.799 3.784 20 0 EHADRM COc1cccc(Cl)c1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000191444658 1024324389 /nfs/dbraw/zinc/32/43/89/1024324389.db2.gz LSPRMUXRJOLZEX-NSHDSACASA-N -1 0 347.798 3.864 20 0 EHADRM Fc1ccc(-c2ccc(CN=c3[n-]nc(C(F)(F)F)o3)o2)cc1 ZINC000428320624 1024335460 /nfs/dbraw/zinc/33/54/60/1024335460.db2.gz UXPUMCXYLLJHBW-UHFFFAOYSA-N -1 0 327.237 3.522 20 0 EHADRM Cc1cc(NC(=O)CSc2ccc(F)cc2)cc(C(=O)[O-])c1C ZINC000320497477 1024348948 /nfs/dbraw/zinc/34/89/48/1024348948.db2.gz CAIBZFFKOQCIME-UHFFFAOYSA-N -1 0 333.384 3.872 20 0 EHADRM CC1(C)Cc2cccc(CSc3n[n-]c(=NC4CC4)s3)c2O1 ZINC000430101280 1024365358 /nfs/dbraw/zinc/36/53/58/1024365358.db2.gz NHRJLJZOCBMSEA-UHFFFAOYSA-N -1 0 333.482 3.540 20 0 EHADRM CC(=O)Nc1ccc(C)c(NC(=O)CC2(CC(=O)[O-])CCCCC2)c1 ZINC000327129568 1024396137 /nfs/dbraw/zinc/39/61/37/1024396137.db2.gz QKTFEDGVOSBDTO-UHFFFAOYSA-N -1 0 346.427 3.707 20 0 EHADRM Cc1ccc(-c2nc(C(=O)N3CCCC[C@@H]3C(=O)[O-])cs2)c(C)c1 ZINC000136532386 1024403868 /nfs/dbraw/zinc/40/38/68/1024403868.db2.gz PPBJZCHSLNTSAC-OAHLLOKOSA-N -1 0 344.436 3.506 20 0 EHADRM COc1ccc(Cl)cc1C(=O)Nc1cc(C)c(C)c(C(=O)[O-])c1 ZINC000320546250 1024442189 /nfs/dbraw/zinc/44/21/89/1024442189.db2.gz LHOACGVAIUYRBK-UHFFFAOYSA-N -1 0 333.771 3.916 20 0 EHADRM CC(C)CN=c1[n-]nc(SCCO[C@@H]2CCCC[C@@H]2C)s1 ZINC000514434818 1024467860 /nfs/dbraw/zinc/46/78/60/1024467860.db2.gz RVMSLKDNHKFIBR-QWHCGFSZSA-N -1 0 329.535 3.715 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2sccc2C)cc1OCC ZINC000607611689 1033213971 /nfs/dbraw/zinc/21/39/71/1033213971.db2.gz SSTRTTICWDRGKA-UHFFFAOYSA-N -1 0 341.454 3.655 20 0 EHADRM CCCOc1ccc([N-]S(=O)(=O)c2sccc2C)c(C)c1 ZINC000607613703 1033216086 /nfs/dbraw/zinc/21/60/86/1033216086.db2.gz QHVWPZPVSAZYEY-UHFFFAOYSA-N -1 0 325.455 3.955 20 0 EHADRM COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2sccc2C)c1 ZINC000607615321 1033216569 /nfs/dbraw/zinc/21/65/69/1033216569.db2.gz ORELIPZSLULGBO-UHFFFAOYSA-N -1 0 341.454 3.653 20 0 EHADRM O=S(=O)([N-]c1noc2ccc(Cl)cc21)c1ccc(Cl)cc1 ZINC000427631589 1024544049 /nfs/dbraw/zinc/54/40/49/1024544049.db2.gz RQFUUFQBWZOVOV-UHFFFAOYSA-N -1 0 343.191 3.935 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2noc3ccc(Cl)cc32)s1 ZINC000427638235 1024602483 /nfs/dbraw/zinc/60/24/83/1024602483.db2.gz JUUABJYHCQMIFC-UHFFFAOYSA-N -1 0 342.829 3.906 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2noc3ccc(Cl)cc32)cc1F ZINC000427639658 1024603717 /nfs/dbraw/zinc/60/37/17/1024603717.db2.gz QEHNQNATABMPOQ-UHFFFAOYSA-N -1 0 340.763 3.730 20 0 EHADRM Cc1cccc([C@@H](NC(=O)NC(C)(C)CCC(=O)[O-])C(F)(F)F)c1 ZINC000417780480 1024651489 /nfs/dbraw/zinc/65/14/89/1024651489.db2.gz XBFOGSREFCFXQK-CYBMUJFWSA-N -1 0 346.349 3.541 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2nc3cc(Cl)ccc3n2C)c1 ZINC000435196927 1024693722 /nfs/dbraw/zinc/69/37/22/1024693722.db2.gz OVDNIEQRJIJOMT-UHFFFAOYSA-N -1 0 349.843 3.590 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2ccnn2[C@@H](C)CC(C)C)c1 ZINC000435202183 1024697597 /nfs/dbraw/zinc/69/75/97/1024697597.db2.gz QMZMBMCREWDIES-AWEZNQCLSA-N -1 0 335.473 3.853 20 0 EHADRM COCc1cc(NC(=O)c2cccn2C2CCCC2)cc(C(=O)[O-])c1 ZINC000427684540 1024732949 /nfs/dbraw/zinc/73/29/49/1024732949.db2.gz GRDZFKQFPVOPIY-UHFFFAOYSA-N -1 0 342.395 3.700 20 0 EHADRM COCc1cc(NC(=O)[C@H]2CCCc3sccc32)cc(C(=O)[O-])c1 ZINC000427704672 1024744670 /nfs/dbraw/zinc/74/46/70/1024744670.db2.gz DVXYKESCNMTYHP-HNNXBMFYSA-N -1 0 345.420 3.651 20 0 EHADRM O=C([N-]OCc1ccccn1)C1(c2cccc(F)c2)CCCCC1 ZINC000909527676 1024752245 /nfs/dbraw/zinc/75/22/45/1024752245.db2.gz ICKAWEUGRAZNAU-UHFFFAOYSA-N -1 0 328.387 3.671 20 0 EHADRM CO[C@H](C)c1nc(=NC(=O)N[C@H](C)CCC2CCCCC2)s[n-]1 ZINC000514818928 1024775828 /nfs/dbraw/zinc/77/58/28/1024775828.db2.gz QNGJIAWQCSYNNL-VXGBXAGGSA-N -1 0 340.493 3.538 20 0 EHADRM FC(F)(F)CCSc1n[n-]c(=NCCc2ccccc2)s1 ZINC000514840786 1024780796 /nfs/dbraw/zinc/78/07/96/1024780796.db2.gz YOUIPEPIIKTCPS-UHFFFAOYSA-N -1 0 333.404 3.659 20 0 EHADRM CC(C)(C)c1coc([N-]S(=O)(=O)c2c(F)cccc2Cl)n1 ZINC000427791159 1024782992 /nfs/dbraw/zinc/78/29/92/1024782992.db2.gz CRNATLKZQBMRRB-UHFFFAOYSA-N -1 0 332.784 3.565 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2noc3cc(OC)ccc32)cc1 ZINC000427794297 1024787203 /nfs/dbraw/zinc/78/72/03/1024787203.db2.gz STRNMXAYRAELAD-UHFFFAOYSA-N -1 0 346.408 3.590 20 0 EHADRM CN(CCC1CCCCC1)C(=O)N=c1ncn(C2CCCCC2)[n-]1 ZINC000514893363 1024842426 /nfs/dbraw/zinc/84/24/26/1024842426.db2.gz PDOVMZKXNBOCMR-UHFFFAOYSA-N -1 0 333.480 3.639 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)N[C@@H](C)c1cc2ccccc2o1)C1CC1 ZINC000684712535 1024882094 /nfs/dbraw/zinc/88/20/94/1024882094.db2.gz BHYUYGIQJAHOOI-FZMZJTMJSA-N -1 0 330.384 3.531 20 0 EHADRM C[C@@H](NC(=O)N(CC(=O)[O-])C1CCCC1)c1cc2ccccc2o1 ZINC000684713829 1024889593 /nfs/dbraw/zinc/88/95/93/1024889593.db2.gz IANWHPDUQPTNQO-GFCCVEGCSA-N -1 0 330.384 3.533 20 0 EHADRM CC(C)Cc1cc([N-]S(=O)(=O)c2cccc3ccccc32)n[nH]1 ZINC000474425350 1024942433 /nfs/dbraw/zinc/94/24/33/1024942433.db2.gz HVXDNRVTPJJUQF-UHFFFAOYSA-N -1 0 329.425 3.562 20 0 EHADRM CC[C@@H](NC(=O)N1CCCCC[C@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000684718602 1024957699 /nfs/dbraw/zinc/95/76/99/1024957699.db2.gz ZFMHPGGUMGUZKJ-CABCVRRESA-N -1 0 338.835 3.830 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2nnc(-c3ccccc3)s2)c1 ZINC000474438936 1024974391 /nfs/dbraw/zinc/97/43/91/1024974391.db2.gz YHLQSYODUHRVIZ-UHFFFAOYSA-N -1 0 345.449 3.568 20 0 EHADRM CCCN(C(=O)N[C@@H](C)c1cc(C)sc1C)[C@@H](CC)C(=O)[O-] ZINC000684720854 1024978960 /nfs/dbraw/zinc/97/89/60/1024978960.db2.gz MRSYZTPAIYAKHR-FZMZJTMJSA-N -1 0 326.462 3.711 20 0 EHADRM CCCC[C@H](C)N(C)C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000428142270 1025006020 /nfs/dbraw/zinc/00/60/20/1025006020.db2.gz QOHYRYUGWZKCGV-LBPRGKRZSA-N -1 0 335.835 3.882 20 0 EHADRM O=C(N=c1nc(-c2cccc(Cl)c2)[n-]s1)N1CC2(C1)CCCC2 ZINC000548648920 1025009290 /nfs/dbraw/zinc/00/92/90/1025009290.db2.gz HPAUEBRYQMLRCF-UHFFFAOYSA-N -1 0 348.859 3.688 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)N1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC000684724665 1025041653 /nfs/dbraw/zinc/04/16/53/1025041653.db2.gz CLLMXGQNKQPDDG-HLLBOEOZSA-N -1 0 346.471 3.638 20 0 EHADRM CC[C@@H]1CCC[C@@H](NC(=O)N(CC(=O)[O-])[C@H](C)c2ccccc2)C1 ZINC000684733786 1025090968 /nfs/dbraw/zinc/09/09/68/1025090968.db2.gz DJVREYZIXLMYGN-BFYDXBDKSA-N -1 0 332.444 3.813 20 0 EHADRM Cc1sc(C(=O)NC[C@H](C)CC(=O)[O-])cc1-c1ccc(F)cc1 ZINC000262155948 1025093808 /nfs/dbraw/zinc/09/38/08/1025093808.db2.gz CFKJLVITVDCLHL-SNVBAGLBSA-N -1 0 335.400 3.703 20 0 EHADRM Cc1cccc([C@@H](C)CNC(=O)N(CC(=O)[O-])C2CCCCC2)c1 ZINC000684737964 1025137373 /nfs/dbraw/zinc/13/73/73/1025137373.db2.gz YGNIZOBJSQUXKZ-HNNXBMFYSA-N -1 0 332.444 3.527 20 0 EHADRM COCCCSc1n[n-]c(=Nc2ccc(C)c(Cl)c2)s1 ZINC000515288847 1025142316 /nfs/dbraw/zinc/14/23/16/1025142316.db2.gz CRRXJHHQMDDROU-UHFFFAOYSA-N -1 0 329.878 3.794 20 0 EHADRM CCc1cc(C(=O)N=c2nc(-c3ccsc3)[n-]s2)sc1C ZINC000520966376 1025143786 /nfs/dbraw/zinc/14/37/86/1025143786.db2.gz HTGUFRQPILBLQN-UHFFFAOYSA-N -1 0 335.479 3.873 20 0 EHADRM CCCN(C(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C)[C@@H](CC)C(=O)[O-] ZINC000684739900 1025149425 /nfs/dbraw/zinc/14/94/25/1025149425.db2.gz GIAJUFXZGNTRNE-JQFCIGGWSA-N -1 0 332.444 3.513 20 0 EHADRM Cc1noc(C)c1C(C)(C)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000435815234 1025149938 /nfs/dbraw/zinc/14/99/38/1025149938.db2.gz BDVAKZJKSNIYIQ-UHFFFAOYSA-N -1 0 326.755 3.706 20 0 EHADRM O=C([O-])C1(CC(=O)NCc2c(F)cccc2Cl)CCCCC1 ZINC000521162841 1025239158 /nfs/dbraw/zinc/23/91/58/1025239158.db2.gz FEVNBJDHCMXRIC-UHFFFAOYSA-N -1 0 327.783 3.521 20 0 EHADRM CCc1cc(C(=O)N=c2[n-]nc(-c3ccsc3)s2)sc1C ZINC000515459658 1025257683 /nfs/dbraw/zinc/25/76/83/1025257683.db2.gz NYDRBROCYIIEQR-UHFFFAOYSA-N -1 0 335.479 3.873 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)CCSc1ccccc1 ZINC000648044342 1025272255 /nfs/dbraw/zinc/27/22/55/1025272255.db2.gz PWFLUPPDGSXKBH-UHFFFAOYSA-N -1 0 343.448 3.672 20 0 EHADRM O=S(=O)([N-]c1cccc(F)c1)c1ccc(C(F)(F)F)cc1F ZINC000436003642 1025301084 /nfs/dbraw/zinc/30/10/84/1025301084.db2.gz BGEXFNZZEOAIIK-UHFFFAOYSA-N -1 0 337.269 3.784 20 0 EHADRM CC(C)(C)c1nc2ccc(NC(=O)N(CC(=O)[O-])C3CC3)cc2s1 ZINC000515534266 1025327575 /nfs/dbraw/zinc/32/75/75/1025327575.db2.gz NMFVWARZXKINCP-UHFFFAOYSA-N -1 0 347.440 3.675 20 0 EHADRM CCSCc1ccc(C(=O)N=c2[n-]nc(SCC)s2)cc1 ZINC000515608387 1025405461 /nfs/dbraw/zinc/40/54/61/1025405461.db2.gz KMOUOGRUWKHCAE-UHFFFAOYSA-N -1 0 339.511 3.577 20 0 EHADRM Cc1n[nH]cc1-c1n[n-]c(=NCc2ccc(-c3ccccc3)cc2)s1 ZINC000436154626 1025421232 /nfs/dbraw/zinc/42/12/32/1025421232.db2.gz RUOLQSLDWXBXHV-UHFFFAOYSA-N -1 0 347.447 3.938 20 0 EHADRM CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000515630010 1025423501 /nfs/dbraw/zinc/42/35/01/1025423501.db2.gz OVGATPZDWFTZEA-UHFFFAOYSA-N -1 0 341.379 3.863 20 0 EHADRM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000436171499 1025433556 /nfs/dbraw/zinc/43/35/56/1025433556.db2.gz DCTYCFYRLOTRKF-UHFFFAOYSA-N -1 0 336.363 3.864 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(-c3cc(C)ccc3F)[nH]n2)c(C)o1 ZINC000436178851 1025449366 /nfs/dbraw/zinc/44/93/66/1025449366.db2.gz UILOWWBVENFURN-UHFFFAOYSA-N -1 0 349.387 3.535 20 0 EHADRM C[C@H](CNC(=O)c1sc2cccc(F)c2c1Cl)CC(=O)[O-] ZINC000909488907 1025468214 /nfs/dbraw/zinc/46/82/14/1025468214.db2.gz SSPKOZMAXJZFRF-ZETCQYMHSA-N -1 0 329.780 3.534 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc1 ZINC000442815842 1025512413 /nfs/dbraw/zinc/51/24/13/1025512413.db2.gz CYAVDDYLZVOSQQ-UHFFFAOYSA-N -1 0 348.371 3.623 20 0 EHADRM C[C@H](CC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000262385826 1025517974 /nfs/dbraw/zinc/51/79/74/1025517974.db2.gz MBMQUENVQXJNSQ-UOJCXKCYSA-N -1 0 333.403 3.564 20 0 EHADRM CCOc1ccc(Cl)c([N-]S(=O)(=O)c2cnc(CC)s2)c1 ZINC000451093669 1025538733 /nfs/dbraw/zinc/53/87/33/1025538733.db2.gz OFZPLRQBBCABOA-UHFFFAOYSA-N -1 0 346.861 3.558 20 0 EHADRM CC(C)c1ncsc1[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000451106247 1025540762 /nfs/dbraw/zinc/54/07/62/1025540762.db2.gz XHKIBJYXXYZCDQ-UHFFFAOYSA-N -1 0 344.889 3.904 20 0 EHADRM Cc1ccc(F)c(NC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])c1 ZINC000436315168 1025577915 /nfs/dbraw/zinc/57/79/15/1025577915.db2.gz DRBHUKZLFLAKLE-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM CCc1cccc(C)c1N=c1[n-]nc(SCCC2(O)CC2)s1 ZINC000442909540 1025578716 /nfs/dbraw/zinc/57/87/16/1025578716.db2.gz TULLURNWERBQSW-UHFFFAOYSA-N -1 0 335.498 3.582 20 0 EHADRM O=C(Nc1ccc(OC(F)(F)F)cc1O)c1ccc([O-])c(Cl)c1 ZINC000442950418 1025602848 /nfs/dbraw/zinc/60/28/48/1025602848.db2.gz ZBGAGCVNBMSLDS-UHFFFAOYSA-N -1 0 347.676 3.902 20 0 EHADRM CC[C@@H](NC(=O)NC[C@H](C(=O)[O-])C1CCC1)c1ccc(Cl)cc1 ZINC000665301931 1025642390 /nfs/dbraw/zinc/64/23/90/1025642390.db2.gz ILFILOYGVQLWQI-LSDHHAIUSA-N -1 0 338.835 3.591 20 0 EHADRM C[C@H](CC(=O)N=c1nc(-c2ccccc2)[n-]s1)c1ccc(F)cc1 ZINC000515849180 1025675791 /nfs/dbraw/zinc/67/57/91/1025675791.db2.gz CNLHQKRILYWNQI-GFCCVEGCSA-N -1 0 341.411 3.898 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N[C@@H](C)c2ccc(OC)cc2)s1 ZINC000521819600 1025705485 /nfs/dbraw/zinc/70/54/85/1025705485.db2.gz BWONWEXKKVNHBX-NSHDSACASA-N -1 0 348.472 3.755 20 0 EHADRM CC[C@H](NC(=O)c1cc(Cl)c2ccccc2c1[O-])c1ncc[nH]1 ZINC000443127229 1025741958 /nfs/dbraw/zinc/74/19/58/1025741958.db2.gz IIMWPNNSRQIRIY-AWEZNQCLSA-N -1 0 329.787 3.803 20 0 EHADRM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1occc1-c1ccccc1 ZINC000342477250 1025759489 /nfs/dbraw/zinc/75/94/89/1025759489.db2.gz QQKMBUGLFAFIPD-UHFFFAOYSA-N -1 0 347.330 3.542 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CC(=O)N=c1nc(Cc2ccccc2)[n-]s1 ZINC000521909049 1025777509 /nfs/dbraw/zinc/77/75/09/1025777509.db2.gz CQRGHCCNNAEUCO-UKRRQHHQSA-N -1 0 329.469 3.706 20 0 EHADRM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H](F)CC1CCCCC1 ZINC000796718303 1025778310 /nfs/dbraw/zinc/77/83/10/1025778310.db2.gz ITOHMPAXJJOPMH-BBRMVZONSA-N -1 0 341.448 3.502 20 0 EHADRM C[C@@H]1CCCC[C@H]1CC(=O)N=c1nc(Cc2ccccc2)[n-]s1 ZINC000521909048 1025778563 /nfs/dbraw/zinc/77/85/63/1025778563.db2.gz CQRGHCCNNAEUCO-HIFRSBDPSA-N -1 0 329.469 3.706 20 0 EHADRM CCCC[C@H](NC(=O)CCc1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000347264386 1025781830 /nfs/dbraw/zinc/78/18/30/1025781830.db2.gz HSVIOCGZNCUYPP-SFHVURJKSA-N -1 0 347.455 3.700 20 0 EHADRM COC1CCC(C)(CN=c2[n-]nc(Cc3ccc(F)cc3)s2)CC1 ZINC000530429189 1025799795 /nfs/dbraw/zinc/79/97/95/1025799795.db2.gz GVSRCCOVQFJELU-UHFFFAOYSA-N -1 0 349.475 3.697 20 0 EHADRM Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2c(O)cccc2F)cc1 ZINC000436511340 1025808229 /nfs/dbraw/zinc/80/82/29/1025808229.db2.gz IGZIBAHAVDSJBP-DNVCBOLYSA-N -1 0 343.398 3.737 20 0 EHADRM O=C(N=c1nc(-c2cccc(Cl)c2)[n-]s1)N1C[C@@H]2CCC[C@H]2C1 ZINC000329433595 1025845850 /nfs/dbraw/zinc/84/58/50/1025845850.db2.gz LDTVOFOZEFTNBV-RYUDHWBXSA-N -1 0 348.859 3.544 20 0 EHADRM CC(C)(O)CCNC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436544521 1025877322 /nfs/dbraw/zinc/87/73/22/1025877322.db2.gz DAQLMPPMTXQBIT-UHFFFAOYSA-N -1 0 333.815 3.603 20 0 EHADRM CC(C)(C)[C@H]1CCCN1C(=O)c1ccc(Br)cc1O ZINC000436569304 1025900433 /nfs/dbraw/zinc/90/04/33/1025900433.db2.gz CIYHJDWJLLHWRH-CYBMUJFWSA-N -1 0 326.234 3.805 20 0 EHADRM CC[C@H]1CO[C@H](C)CN1C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436580148 1025921701 /nfs/dbraw/zinc/92/17/01/1025921701.db2.gz AJFQKHXLDJMRJM-NEPJUHHUSA-N -1 0 333.815 3.838 20 0 EHADRM Cc1nc([C@H](C)NC(=O)C[C@H](C)C2CCCCC2)sc1C(=O)[O-] ZINC000237504477 1025937313 /nfs/dbraw/zinc/93/73/13/1025937313.db2.gz KUGNBDYBAORTKQ-JQWIXIFHSA-N -1 0 338.473 3.933 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N[C@H]2CCC[C@@H]2c2ccccc2)s1 ZINC000522072403 1025939383 /nfs/dbraw/zinc/93/93/83/1025939383.db2.gz LVLBRGMEOIEFPB-CABCVRRESA-N -1 0 344.484 3.616 20 0 EHADRM CC(C)(C)NS(=O)(=O)c1ccc(Nc2ccc([S-])cc2)cc1 ZINC001203205009 1025942506 /nfs/dbraw/zinc/94/25/06/1025942506.db2.gz LEEDJBAVCFEZLD-UHFFFAOYSA-N -1 0 336.482 3.796 20 0 EHADRM COCCN(C[C@@H]1CC=CCC1)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436612902 1025946845 /nfs/dbraw/zinc/94/68/45/1025946845.db2.gz ZTIPKCFZGMUDLT-GFCCVEGCSA-N -1 0 341.810 3.630 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)cc(C)c1F ZINC000443361881 1025957949 /nfs/dbraw/zinc/95/79/49/1025957949.db2.gz WDCMUVIMUZKRLU-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cc(C(C)(C)C)no1 ZINC000388911689 1025965857 /nfs/dbraw/zinc/96/58/57/1025965857.db2.gz NXTLXXFRFMVNSP-UHFFFAOYSA-N -1 0 326.393 3.529 20 0 EHADRM CCO[C@@H]1C[C@H](NC(=O)c2ccc([O-])c(Cl)c2)C12CCCCC2 ZINC000436637971 1025967675 /nfs/dbraw/zinc/96/76/75/1025967675.db2.gz DAHMBNCDNQHJSB-JKSUJKDBSA-N -1 0 337.847 3.903 20 0 EHADRM C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436621441 1025972111 /nfs/dbraw/zinc/97/21/11/1025972111.db2.gz DITNXGFAKJEYHU-OIBJUYFYSA-N -1 0 339.716 3.988 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)c1 ZINC000436649349 1025975389 /nfs/dbraw/zinc/97/53/89/1025975389.db2.gz PCYHTGUHOOPSEW-LSDHHAIUSA-N -1 0 327.355 3.866 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)Cc2cc(F)c(F)cc2F)c1 ZINC000436651569 1025978679 /nfs/dbraw/zinc/97/86/79/1025978679.db2.gz GPFKXZSWCQQNFP-UHFFFAOYSA-N -1 0 337.297 3.583 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2csc(C(C)(C)C)n2)c1 ZINC000436652467 1025980122 /nfs/dbraw/zinc/98/01/22/1025980122.db2.gz NNRUMICUTDOVLD-UHFFFAOYSA-N -1 0 332.425 3.991 20 0 EHADRM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1sccc1Cl ZINC000451437674 1025988104 /nfs/dbraw/zinc/98/81/04/1025988104.db2.gz OSWVEPVEHFNNTP-QMMMGPOBSA-N -1 0 335.800 3.657 20 0 EHADRM O=C(Nc1ccc2c(c1)C(=O)CCC2)c1cc(F)cc(Cl)c1[O-] ZINC000436640609 1025988387 /nfs/dbraw/zinc/98/83/87/1025988387.db2.gz YDLXTPLPRKQFIQ-UHFFFAOYSA-N -1 0 333.746 3.956 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(-c3ccccc3)no2)c1 ZINC000436642925 1025988965 /nfs/dbraw/zinc/98/89/65/1025988965.db2.gz CWYSYFYQXMRUAS-UHFFFAOYSA-N -1 0 336.347 3.892 20 0 EHADRM O=C(NCCc1ccc2[nH]ccc2c1)c1cc(F)c([O-])c(Cl)c1 ZINC000436641374 1025989444 /nfs/dbraw/zinc/98/94/44/1025989444.db2.gz VDBIMZZLSLAPCN-UHFFFAOYSA-N -1 0 332.762 3.639 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(Cc3ccccc3)[nH]n2)c1 ZINC000436645855 1025992932 /nfs/dbraw/zinc/99/29/32/1025992932.db2.gz FHIVGDLYVWOJNA-UHFFFAOYSA-N -1 0 349.390 3.551 20 0 EHADRM COc1cc(C)ccc1[N-]S(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000443399263 1025996447 /nfs/dbraw/zinc/99/64/47/1025996447.db2.gz MBRWQHIGJFPEDO-UHFFFAOYSA-N -1 0 347.436 3.518 20 0 EHADRM CC1(C)Cc2cccc(S(=O)(=O)[N-]c3cccc4[nH]ccc43)c2O1 ZINC000443402152 1025998062 /nfs/dbraw/zinc/99/80/62/1025998062.db2.gz XQJICQBLGWQITO-UHFFFAOYSA-N -1 0 342.420 3.682 20 0 EHADRM C[C@H](NC(=O)c1c(F)ccc(O)c1F)c1ccccc1OC(F)F ZINC000516115967 1026002457 /nfs/dbraw/zinc/00/24/57/1026002457.db2.gz ANXORGQINPPGPY-QMMMGPOBSA-N -1 0 343.276 3.763 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1cccc(OCC)c1 ZINC000443406205 1026003335 /nfs/dbraw/zinc/00/33/35/1026003335.db2.gz LDWZUGYQFDGUNS-UHFFFAOYSA-N -1 0 335.425 3.675 20 0 EHADRM CCOc1cccc(S(=O)(=O)[N-]c2cc(Cl)cc(C)c2O)c1 ZINC000443406411 1026004182 /nfs/dbraw/zinc/00/41/82/1026004182.db2.gz DVOVQRVSQHYGRI-UHFFFAOYSA-N -1 0 341.816 3.554 20 0 EHADRM O=C(COc1ccc(-c2ccccc2)cc1Cl)[N-]OCC(F)F ZINC000760141067 1026018609 /nfs/dbraw/zinc/01/86/09/1026018609.db2.gz GCWPDIMXAUFDPX-UHFFFAOYSA-N -1 0 341.741 3.699 20 0 EHADRM O=C(NCC(F)(F)c1ccc(Cl)cc1)c1cc(F)c([O-])c(F)c1 ZINC000436680487 1026031124 /nfs/dbraw/zinc/03/11/24/1026031124.db2.gz JXQKJIMWTVBRMS-UHFFFAOYSA-N -1 0 347.695 3.846 20 0 EHADRM O=C(Nc1c(F)cc(Br)cc1F)c1cccc(F)c1[O-] ZINC001126565656 1026033077 /nfs/dbraw/zinc/03/30/77/1026033077.db2.gz XXBAELLMNNSXOY-UHFFFAOYSA-N -1 0 346.102 3.824 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2nc(-c3ccccc3)oc2C)c1 ZINC000436681586 1026035194 /nfs/dbraw/zinc/03/51/94/1026035194.db2.gz RYCBABAPORATED-UHFFFAOYSA-N -1 0 336.347 3.811 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cc(C3CCCCC3)[nH]n2)c1 ZINC000436682545 1026038063 /nfs/dbraw/zinc/03/80/63/1026038063.db2.gz WFMGGMRSEKSQPY-UHFFFAOYSA-N -1 0 327.384 3.618 20 0 EHADRM CC(C)Oc1ncccc1-c1noc(-c2ccc(Cl)cc2[O-])n1 ZINC000436689936 1026045307 /nfs/dbraw/zinc/04/53/07/1026045307.db2.gz SUYSRDNSHGFRCQ-UHFFFAOYSA-N -1 0 331.759 3.945 20 0 EHADRM [O-]c1c(F)cc(-c2noc(C3(C4CC4)CC3)n2)cc1Br ZINC000896928124 1026075620 /nfs/dbraw/zinc/07/56/20/1026075620.db2.gz PXFIWCQGOVFDCC-UHFFFAOYSA-N -1 0 339.164 3.785 20 0 EHADRM CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000436716083 1026084500 /nfs/dbraw/zinc/08/45/00/1026084500.db2.gz RTQHKASSVNNWII-QFYYESIMSA-N -1 0 337.778 3.691 20 0 EHADRM Cc1nc2ccc(NC(=O)c3ccc(Br)cc3[O-])cc2o1 ZINC000436757705 1026127429 /nfs/dbraw/zinc/12/74/29/1026127429.db2.gz WQQFFCMGWRTJDI-UHFFFAOYSA-N -1 0 347.168 3.857 20 0 EHADRM O=C(Nc1ccc2nnc(C3CCC3)n2c1)c1ccc(Cl)cc1[O-] ZINC000436746678 1026135663 /nfs/dbraw/zinc/13/56/63/1026135663.db2.gz GZCUBUSZKXDZHK-UHFFFAOYSA-N -1 0 342.786 3.608 20 0 EHADRM CCOC(=O)c1ccc(NC)c(Nc2cc(C)cc(C(=O)[O-])c2)c1 ZINC001211544448 1026186907 /nfs/dbraw/zinc/18/69/07/1026186907.db2.gz AEGZRCOCJHYGFV-UHFFFAOYSA-N -1 0 328.368 3.655 20 0 EHADRM COC(=O)[C@H](C)Cc1ccc(NC(=O)c2c([O-])cccc2Cl)cc1 ZINC000760142600 1026211663 /nfs/dbraw/zinc/21/16/63/1026211663.db2.gz PZTMYYOCNGFOGG-LLVKDONJSA-N -1 0 347.798 3.650 20 0 EHADRM CC(C)(C)[C@H](NC(=O)CC1(C(=O)[O-])CCC1)c1ccc(F)cc1F ZINC000262429858 1026220190 /nfs/dbraw/zinc/22/01/90/1026220190.db2.gz BNFGVJKIKZJMNG-OAHLLOKOSA-N -1 0 339.382 3.813 20 0 EHADRM O=C(c1ccc(C(F)(F)F)c(O)c1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000684871929 1026263640 /nfs/dbraw/zinc/26/36/40/1026263640.db2.gz NPBOLHZSULTBQG-LBPRGKRZSA-N -1 0 339.317 3.502 20 0 EHADRM COc1cccc(CNc2ccc(F)c(C(=O)[O-])c2)c1OC(F)F ZINC000324850041 1026362158 /nfs/dbraw/zinc/36/21/58/1026362158.db2.gz LZPHZYFJPUNUBO-UHFFFAOYSA-N -1 0 341.285 3.746 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1cc(Cl)ccc1SC ZINC000064374959 1026410868 /nfs/dbraw/zinc/41/08/68/1026410868.db2.gz QHUPYMMRCQAEOF-UHFFFAOYSA-N -1 0 343.857 3.871 20 0 EHADRM CC(C)C[C@H](NC(=O)c1ccc(OC2CCC2)cc1Cl)C(=O)[O-] ZINC000431436141 1026492682 /nfs/dbraw/zinc/49/26/82/1026492682.db2.gz TUGMBDGORNFMEE-HNNXBMFYSA-N -1 0 339.819 3.500 20 0 EHADRM O=C(c1cc(Br)c(F)cc1[O-])N1CC[C@H](CC2CC2)C1 ZINC000452165461 1026533858 /nfs/dbraw/zinc/53/38/58/1026533858.db2.gz QUVWCQADJPBLKR-SNVBAGLBSA-N -1 0 342.208 3.556 20 0 EHADRM C[C@@H]1CC(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)C[C@@H](C)O1 ZINC000192874644 1026549353 /nfs/dbraw/zinc/54/93/53/1026549353.db2.gz XSCNOWDFTCYVMJ-NXEZZACHSA-N -1 0 333.409 3.742 20 0 EHADRM Cc1cc(CNC(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])no1 ZINC000531116534 1026607933 /nfs/dbraw/zinc/60/79/33/1026607933.db2.gz HZTRNDIAWUCQOT-UHFFFAOYSA-N -1 0 342.782 3.939 20 0 EHADRM CCC[C@](C)(NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000431461842 1026692624 /nfs/dbraw/zinc/69/26/24/1026692624.db2.gz VZXSGXKQUTZTLI-SJCJKPOMSA-N -1 0 325.836 3.668 20 0 EHADRM CCn1c2ccccc2nc1[C@H](C)NC(=O)c1c([O-])cc(F)cc1F ZINC000128054814 1026892396 /nfs/dbraw/zinc/89/23/96/1026892396.db2.gz ASLLFILLIVLXJT-JTQLQIEISA-N -1 0 345.349 3.531 20 0 EHADRM O=S(=O)([N-]c1cccc2ccncc21)c1cccc(Cl)c1F ZINC000531527384 1027007508 /nfs/dbraw/zinc/00/75/08/1027007508.db2.gz QWXSWUVNRZBJMT-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM Cc1cc(=NC(=O)N(Cc2cccc(F)c2)C2CCCC2)[n-]nc1C ZINC000531559970 1027046723 /nfs/dbraw/zinc/04/67/23/1027046723.db2.gz HGUPBHFBYQSETL-UHFFFAOYSA-N -1 0 342.418 3.631 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)cn1 ZINC000531603488 1027096106 /nfs/dbraw/zinc/09/61/06/1027096106.db2.gz JIVOOCHCFBJTFH-UHFFFAOYSA-N -1 0 346.836 3.705 20 0 EHADRM CC[C@H]1[C@H](C)CCN1C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000501186589 1027129555 /nfs/dbraw/zinc/12/95/55/1027129555.db2.gz NFFFRRIXMPIJRJ-PBHICJAKSA-N -1 0 341.455 3.962 20 0 EHADRM CCCCN1CCc2ccc(N=c3nc([C@@H](C)OC)[n-]s3)cc21 ZINC000509542890 1027220876 /nfs/dbraw/zinc/22/08/76/1027220876.db2.gz NRJUYOMVGSCKPB-GFCCVEGCSA-N -1 0 332.473 3.574 20 0 EHADRM CCn1cccc1CN=c1[n-]nc(SCc2ccccc2)s1 ZINC000453044394 1027254144 /nfs/dbraw/zinc/25/41/44/1027254144.db2.gz FWBACNZAQURMFT-UHFFFAOYSA-N -1 0 330.482 3.686 20 0 EHADRM Cc1occc1-c1n[n-]c(=NCc2ccccc2OCC(C)C)o1 ZINC000453048277 1027260341 /nfs/dbraw/zinc/26/03/41/1027260341.db2.gz ULICQCZBNQYWLV-UHFFFAOYSA-N -1 0 327.384 3.707 20 0 EHADRM CCCCOc1ccc(CN=c2[n-]nc(C3CCOCC3)s2)cc1 ZINC000453052050 1027292393 /nfs/dbraw/zinc/29/23/93/1027292393.db2.gz NMWOHJGYSZTIGI-UHFFFAOYSA-N -1 0 347.484 3.645 20 0 EHADRM COc1cc(S(=O)(=O)[N-]c2ncc(C(C)C)s2)ccc1Cl ZINC000414438362 1027295560 /nfs/dbraw/zinc/29/55/60/1027295560.db2.gz IYOUMRDZSKQOBS-UHFFFAOYSA-N -1 0 346.861 3.729 20 0 EHADRM FC(F)Oc1ccc(CN=c2nc(-c3ccccc3)[n-]s2)cc1 ZINC000501567145 1027357305 /nfs/dbraw/zinc/35/73/05/1027357305.db2.gz MYNASQHZMIZBHQ-UHFFFAOYSA-N -1 0 333.363 3.841 20 0 EHADRM CSc1cc(C)ccc1CNC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000531791210 1027391221 /nfs/dbraw/zinc/39/12/21/1027391221.db2.gz GPGABESGYJVJMO-UHFFFAOYSA-N -1 0 335.469 3.758 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)C1 ZINC000414444807 1027391191 /nfs/dbraw/zinc/39/11/91/1027391191.db2.gz GBMGEZSTVSROKN-UMNHJUIQSA-N -1 0 349.736 3.561 20 0 EHADRM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)N=c2cc(C)c(C)n[n-]2)cc1 ZINC000531813654 1027414218 /nfs/dbraw/zinc/41/42/18/1027414218.db2.gz HTGJVCOXKSDGJQ-IFXJQAMLSA-N -1 0 338.455 3.829 20 0 EHADRM Cc1ccc(S[C@H](C)C(=O)N(CC(=O)[O-])Cc2ccccc2)cc1 ZINC000347360953 1027466041 /nfs/dbraw/zinc/46/60/41/1027466041.db2.gz ICFKWUBNSHJSTJ-OAHLLOKOSA-N -1 0 343.448 3.589 20 0 EHADRM CC[C@@H](NC(=O)N(CC(=O)[O-])CC(C)C)c1ccc(Cl)cc1 ZINC000582744466 1027534771 /nfs/dbraw/zinc/53/47/71/1027534771.db2.gz NPOPTOMHOFLVRO-CQSZACIVSA-N -1 0 326.824 3.543 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000261863733 1027546994 /nfs/dbraw/zinc/54/69/94/1027546994.db2.gz GIBVJESGYFDVHZ-MEDUHNTESA-N -1 0 341.860 3.534 20 0 EHADRM CCO[C@H](CC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1)C1=CCCC1 ZINC000414456573 1027552252 /nfs/dbraw/zinc/55/22/52/1027552252.db2.gz UCZMEOPCIRUIEX-CXAGYDPISA-N -1 0 331.412 3.719 20 0 EHADRM COc1ccc2nc(C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2c1 ZINC000237302487 1027626375 /nfs/dbraw/zinc/62/63/75/1027626375.db2.gz HUJRVAIIWBGTRL-NYYWCZLTSA-N -1 0 348.358 3.594 20 0 EHADRM CCc1nc([C@H](C)N=c2[n-]nc(-c3ccc(OC)cc3)s2)cs1 ZINC000420601137 1027639167 /nfs/dbraw/zinc/63/91/67/1027639167.db2.gz MUPLXHMWDSJTLP-JTQLQIEISA-N -1 0 346.481 3.828 20 0 EHADRM CCS[C@@H](C(=O)N=c1nc(-c2sccc2C)[n-]s1)C(C)C ZINC000472260450 1027713881 /nfs/dbraw/zinc/71/38/81/1027713881.db2.gz HXQAEIYGGUQWRZ-SNVBAGLBSA-N -1 0 341.527 3.713 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(OC2CCCCC2)cc1 ZINC000422576944 1027807183 /nfs/dbraw/zinc/80/71/83/1027807183.db2.gz ADIPEIIBXRSSBO-GDBMZVCRSA-N -1 0 345.439 3.723 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CC[C@H]2OCCC[C@@H]2C1 ZINC000132064485 1027855394 /nfs/dbraw/zinc/85/53/94/1027855394.db2.gz ZGJALVHBQSGQSZ-SJKOYZFVSA-N -1 0 345.826 3.840 20 0 EHADRM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000533444796 1027907278 /nfs/dbraw/zinc/90/72/78/1027907278.db2.gz PFMHDRTVABLWIL-UHFFFAOYSA-N -1 0 338.455 3.737 20 0 EHADRM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCCCCc2ccccc21 ZINC000444455074 1027911999 /nfs/dbraw/zinc/91/19/99/1027911999.db2.gz RNTZPUAKPCNYGC-UHFFFAOYSA-N -1 0 332.403 3.901 20 0 EHADRM CC(=O)c1ccc(C(=O)N=c2nc(-c3sccc3C)[n-]s2)s1 ZINC000472267912 1027933157 /nfs/dbraw/zinc/93/31/57/1027933157.db2.gz CVVREYUATXDZQW-UHFFFAOYSA-N -1 0 349.462 3.513 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1ccccc1SC(F)(F)F ZINC000321864538 1028011758 /nfs/dbraw/zinc/01/17/58/1028011758.db2.gz GEYRYMOKVABWEF-FZMZJTMJSA-N -1 0 347.358 3.672 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]c1cnc(-c2ccccc2)s1 ZINC000536629334 1028035052 /nfs/dbraw/zinc/03/50/52/1028035052.db2.gz FDQZHKZRXFLYIG-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N2CC(C(C)(C)C)C2)s1 ZINC000455368535 1028076200 /nfs/dbraw/zinc/07/62/00/1028076200.db2.gz TUWAUEKHFDQQLN-UHFFFAOYSA-N -1 0 348.447 3.584 20 0 EHADRM Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccccc3)cn2)cc1 ZINC000614831674 1028080791 /nfs/dbraw/zinc/08/07/91/1028080791.db2.gz UZAFMDQLAYNJPK-UHFFFAOYSA-N -1 0 340.404 3.983 20 0 EHADRM CCc1cccc(CC)c1[N-]S(=O)(=O)c1cccc2c1OCC2 ZINC000421160784 1028140601 /nfs/dbraw/zinc/14/06/01/1028140601.db2.gz VYNUHQUXOHLTCD-UHFFFAOYSA-N -1 0 331.437 3.547 20 0 EHADRM CC(C)C[C@@H]1C[C@H](N=c2[n-]nc(Cc3ccc(F)cc3)s2)CCO1 ZINC000544393041 1028153716 /nfs/dbraw/zinc/15/37/16/1028153716.db2.gz PMEIOBKAULKTHU-HZPDHXFCSA-N -1 0 349.475 3.696 20 0 EHADRM Cc1cc([C@H]2CN(C(=O)c3ccc([O-])c(Cl)c3)CCO2)ccc1F ZINC000135265986 1028178355 /nfs/dbraw/zinc/17/83/55/1028178355.db2.gz VPNCDXDEUWEGFB-QGZVFWFLSA-N -1 0 349.789 3.707 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1cccnc1Nc1ccccc1 ZINC000502426200 1028210616 /nfs/dbraw/zinc/21/06/16/1028210616.db2.gz RDFMABPLQIPDNX-UHFFFAOYSA-N -1 0 345.449 3.996 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2cnc(-c3ccc(O)cc3)nc2)c1 ZINC001211962383 1028214523 /nfs/dbraw/zinc/21/45/23/1028214523.db2.gz BAJLKIAVCCBNNO-UHFFFAOYSA-N -1 0 341.754 3.944 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2ccc(CN3CCOCC3)cc2)c1 ZINC001211965236 1028271829 /nfs/dbraw/zinc/27/18/29/1028271829.db2.gz VKPMVZLYTAIGGS-UHFFFAOYSA-N -1 0 346.814 3.614 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000237348679 1028388919 /nfs/dbraw/zinc/38/89/19/1028388919.db2.gz QCOALDJYTOQYAK-GOEBONIOSA-N -1 0 335.419 3.640 20 0 EHADRM Cc1ccc(SCC(F)(F)F)c(NC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])c1 ZINC000262682591 1028404854 /nfs/dbraw/zinc/40/48/54/1028404854.db2.gz WYNQKLDLVZSCEZ-ZJUUUORDSA-N -1 0 347.358 3.699 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000025528166 1028499254 /nfs/dbraw/zinc/49/92/54/1028499254.db2.gz RQZACTBDACAQHM-UHFFFAOYSA-N -1 0 344.773 3.865 20 0 EHADRM Cc1cc(OCC(=O)N2CCC[C@H](CCC(=O)[O-])C2)ccc1C(C)C ZINC000236669977 1028559658 /nfs/dbraw/zinc/55/96/58/1028559658.db2.gz QZSNLIFCKQYYBS-MRXNPFEDSA-N -1 0 347.455 3.601 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000236617402 1028560322 /nfs/dbraw/zinc/56/03/22/1028560322.db2.gz QXYZDXUDDYBFGE-DYEKYZERSA-N -1 0 344.238 3.712 20 0 EHADRM Cc1cc(C)c(C(=O)Nc2ccc3c(ccn3CC(=O)[O-])c2)c(C)c1 ZINC000533711379 1028567216 /nfs/dbraw/zinc/56/72/16/1028567216.db2.gz QSIXFHRVLWLOCQ-UHFFFAOYSA-N -1 0 336.391 3.903 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)CSCc1cccc(Cl)c1 ZINC000236715224 1028575012 /nfs/dbraw/zinc/57/50/12/1028575012.db2.gz RHNAFRHSACIXDZ-UHFFFAOYSA-N -1 0 343.876 3.533 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)c1C ZINC000523737533 1028579634 /nfs/dbraw/zinc/57/96/34/1028579634.db2.gz BXNLWEDRMVEJCG-HRAATJIYSA-N -1 0 339.435 3.913 20 0 EHADRM CCc1cc(C(=O)Nc2ccc(OCC(=O)[O-])cc2C)sc1C ZINC000237124044 1028642626 /nfs/dbraw/zinc/64/26/26/1028642626.db2.gz XAQSYWAATLSJFC-UHFFFAOYSA-N -1 0 333.409 3.643 20 0 EHADRM COc1ccc(CNC(=O)c2csc3ccccc23)cc1C(=O)[O-] ZINC000237329419 1028647519 /nfs/dbraw/zinc/64/75/19/1028647519.db2.gz CDGQPSWEHFCKKN-UHFFFAOYSA-N -1 0 341.388 3.538 20 0 EHADRM COc1csc(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)c1 ZINC000237375567 1028649156 /nfs/dbraw/zinc/64/91/56/1028649156.db2.gz SZIVPDXIDYTQPS-UHFFFAOYSA-N -1 0 333.390 3.922 20 0 EHADRM Cc1cccc([C@H](C)C(=O)N[C@H](CC(=O)[O-])c2ccccc2C)c1 ZINC000237446266 1028649199 /nfs/dbraw/zinc/64/91/99/1028649199.db2.gz NXDHYMBUBOEZHC-MAUKXSAKSA-N -1 0 325.408 3.739 20 0 EHADRM C[C@@H](C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])c1cc2ccccc2o1 ZINC000237460161 1028650242 /nfs/dbraw/zinc/65/02/42/1028650242.db2.gz DGRLFLVSOJOQBR-CXAGYDPISA-N -1 0 349.386 3.574 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@H](C)c1ccccc1F ZINC000237478587 1028653583 /nfs/dbraw/zinc/65/35/83/1028653583.db2.gz BTKPXRWQGNZSIH-DYVFJYSZSA-N -1 0 329.371 3.570 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)CC(C)(C)c1ccccc1 ZINC000237579116 1028656392 /nfs/dbraw/zinc/65/63/92/1028656392.db2.gz RNQZGFPZJWHWCK-GOSISDBHSA-N -1 0 339.435 3.995 20 0 EHADRM Cc1ccc2oc(C(=O)Nc3ccc(OCC(=O)[O-])cc3C)cc2c1 ZINC000237911454 1028671188 /nfs/dbraw/zinc/67/11/88/1028671188.db2.gz HXSNVOHARUGGCQ-UHFFFAOYSA-N -1 0 339.347 3.765 20 0 EHADRM CC(C)[C@@H](CNC(=O)CC(C)(C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000504489752 1028687304 /nfs/dbraw/zinc/68/73/04/1028687304.db2.gz ROOPNXAGWYRNFU-CQSZACIVSA-N -1 0 325.836 3.697 20 0 EHADRM CC(C)n1ccc(CSc2n[n-]c(=Nc3cccc(F)c3)s2)n1 ZINC000523878149 1028696367 /nfs/dbraw/zinc/69/63/67/1028696367.db2.gz CFZMRSZIIHSJEI-UHFFFAOYSA-N -1 0 349.460 3.912 20 0 EHADRM CCCc1cc(C(=O)N=c2[n-]nc(-c3ccccn3)s2)sc1C ZINC000502828547 1028732537 /nfs/dbraw/zinc/73/25/37/1028732537.db2.gz PFPYFLOQSAFIBP-UHFFFAOYSA-N -1 0 344.465 3.597 20 0 EHADRM Cc1cc(CN=c2[n-]nc(Cc3cccc(F)c3)o2)ccc1Cl ZINC000502852488 1028752962 /nfs/dbraw/zinc/75/29/62/1028752962.db2.gz GURJQRSLHNDYRE-UHFFFAOYSA-N -1 0 331.778 3.795 20 0 EHADRM Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)C[C@H](C)CC(=O)[O-] ZINC000634831520 1028776553 /nfs/dbraw/zinc/77/65/53/1028776553.db2.gz AOGWYVIEPKFQGM-GXFFZTMASA-N -1 0 331.334 3.606 20 0 EHADRM C[C@H](NC(=O)C[C@@]1(C(=O)[O-])CCCc2ccccc21)c1ccsc1 ZINC000634834927 1028811046 /nfs/dbraw/zinc/81/10/46/1028811046.db2.gz PBVIHDJOJGEOGV-DJJJIMSYSA-N -1 0 343.448 3.674 20 0 EHADRM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccnn2CC(C)C)cc1 ZINC000524050176 1028822894 /nfs/dbraw/zinc/82/28/94/1028822894.db2.gz LBSYMNBGJVYJJB-UHFFFAOYSA-N -1 0 335.473 3.538 20 0 EHADRM Cc1ccnn1-c1ccc(-c2nc(-c3ccc(O)cc3F)no2)cc1 ZINC000445462911 1028831249 /nfs/dbraw/zinc/83/12/49/1028831249.db2.gz GIWXKJNLTMVCCF-UHFFFAOYSA-N -1 0 336.326 3.742 20 0 EHADRM CC(C)c1noc(=NCc2ccc(OCc3cccc(F)c3)cc2)[n-]1 ZINC000524241157 1029017251 /nfs/dbraw/zinc/01/72/51/1029017251.db2.gz SPOAPHCNNUUTSC-UHFFFAOYSA-N -1 0 341.386 3.945 20 0 EHADRM O=C(c1cc(-c2ccccc2)cc(Cl)c1[O-])N1CC[C@@]12CCOC2 ZINC000422064688 1029055341 /nfs/dbraw/zinc/05/53/41/1029055341.db2.gz FNGAGDSSQWBWFY-IBGZPJMESA-N -1 0 343.810 3.718 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N[C@@H](c2ccccc2)C(C)C)s1 ZINC000503119086 1029062692 /nfs/dbraw/zinc/06/26/92/1029062692.db2.gz MDIGSQRZXCEWFN-OAHLLOKOSA-N -1 0 332.473 3.677 20 0 EHADRM COc1ccc(C2(CNC(=O)CC(C)(C)C(=O)[O-])CCCCC2)cc1 ZINC000583167659 1029084513 /nfs/dbraw/zinc/08/45/13/1029084513.db2.gz ZLDFVXWNNRHTGM-UHFFFAOYSA-N -1 0 347.455 3.514 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)nc2)c1 ZINC000178798584 1029086237 /nfs/dbraw/zinc/08/62/37/1029086237.db2.gz DDYZQUGQNRFNCS-UHFFFAOYSA-N -1 0 330.381 3.506 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)NCc2ccccc2Cl)s1 ZINC000503160077 1029096817 /nfs/dbraw/zinc/09/68/17/1029096817.db2.gz BXFJJVGLDHENAJ-UHFFFAOYSA-N -1 0 338.864 3.839 20 0 EHADRM Cc1cc(F)cc(Nc2cc(S(C)(=O)=O)ccc2O)c1Cl ZINC001214076389 1029099767 /nfs/dbraw/zinc/09/97/67/1029099767.db2.gz QPQYMKMHGAPLFA-UHFFFAOYSA-N -1 0 329.780 3.640 20 0 EHADRM CSc1ccc(C)c(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1 ZINC000237383530 1029108842 /nfs/dbraw/zinc/10/88/42/1029108842.db2.gz IXTZKRDEEWOHTE-KCXAZCMYSA-N -1 0 333.453 3.575 20 0 EHADRM N#Cc1ccc(C(=O)[O-])nc1/C=C/c1ccc(F)c(Br)c1 ZINC000031732857 1029117297 /nfs/dbraw/zinc/11/72/97/1029117297.db2.gz HDWGLWGXQLKUOK-GORDUTHDSA-N -1 0 347.143 3.723 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CC[N@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000319758314 1029119579 /nfs/dbraw/zinc/11/95/79/1029119579.db2.gz PYLFCTAKSQDIGN-MRXNPFEDSA-N -1 0 336.482 3.804 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)n[nH]c1C(C)C ZINC000647279091 1029176055 /nfs/dbraw/zinc/17/60/55/1029176055.db2.gz LGSWURTVGRVWBZ-UHFFFAOYSA-N -1 0 348.255 3.949 20 0 EHADRM CC(C)CCc1n[n-]c(=NCc2ccc(C(=O)OC(C)(C)C)cc2)o1 ZINC000428420061 1029181014 /nfs/dbraw/zinc/18/10/14/1029181014.db2.gz HQOITFIXFAKPGV-UHFFFAOYSA-N -1 0 345.443 3.648 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)c1ccc(SCc2ccccc2)cc1 ZINC000237424260 1029218064 /nfs/dbraw/zinc/21/80/64/1029218064.db2.gz BXALBTHMCKBPFH-CQSZACIVSA-N -1 0 343.448 3.962 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)NCCCCCCCC(=O)[O-] ZINC000271939273 1029237566 /nfs/dbraw/zinc/23/75/66/1029237566.db2.gz FFZIMJTUPNKGNZ-UHFFFAOYSA-N -1 0 335.444 3.514 20 0 EHADRM CC[C@@H](c1n[n-]c(=NCc2cncn2C(C)C)s1)c1ccccc1 ZINC000424710307 1029260795 /nfs/dbraw/zinc/26/07/95/1029260795.db2.gz BDUFBRMUGLMWMU-MRXNPFEDSA-N -1 0 341.484 3.891 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)/C=C\c1ccc(Cl)s1)CC2 ZINC000321929708 1029352288 /nfs/dbraw/zinc/35/22/88/1029352288.db2.gz SCRJANPHDJNQLG-XQRVVYSFSA-N -1 0 347.823 3.698 20 0 EHADRM CC(C)c1nc(/C=C\c2ccn(-c3ccccc3)n2)ncc1C(=O)[O-] ZINC000255463815 1029369105 /nfs/dbraw/zinc/36/91/05/1029369105.db2.gz LEFZLVITVZPKHH-HJWRWDBZSA-N -1 0 334.379 3.654 20 0 EHADRM CCO[C@@H](CNC(=O)CC1(CC(=O)[O-])CCCCC1)c1ccccc1 ZINC000446062248 1029374741 /nfs/dbraw/zinc/37/47/41/1029374741.db2.gz MYLGDWBNMTWTPI-KRWDZBQOSA-N -1 0 347.455 3.696 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)Nc1cc(C(C)=O)ccc1[O-] ZINC000272276374 1029392827 /nfs/dbraw/zinc/39/28/27/1029392827.db2.gz TWFQOLWAXBRAEU-LBPRGKRZSA-N -1 0 327.380 3.736 20 0 EHADRM CSCc1cccc([N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000524691494 1029446720 /nfs/dbraw/zinc/44/67/20/1029446720.db2.gz ISTRMYKMJQRXHX-UHFFFAOYSA-N -1 0 329.393 3.629 20 0 EHADRM CCC(CC)(CC(=O)N1CCC(COc2ccccc2)CC1)C(=O)[O-] ZINC000634896651 1029474578 /nfs/dbraw/zinc/47/45/78/1029474578.db2.gz NBVMHZQQHCARBL-UHFFFAOYSA-N -1 0 347.455 3.585 20 0 EHADRM CC(C)(C)OC1CCN(C(=O)CC2(C(=O)[O-])CCCCCC2)CC1 ZINC000634896653 1029475402 /nfs/dbraw/zinc/47/54/02/1029475402.db2.gz NDDMWSBIHYPLBV-UHFFFAOYSA-N -1 0 339.476 3.608 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)N1CCCCC[C@H]1c1ccccc1 ZINC000634895837 1029477393 /nfs/dbraw/zinc/47/73/93/1029477393.db2.gz OLCLRRUTGUMVHG-KSZLIROESA-N -1 0 327.424 3.797 20 0 EHADRM O=C([O-])Cc1sccc1-c1ccc(OC[C@H]2CCCCO2)cc1 ZINC000583273801 1029490004 /nfs/dbraw/zinc/49/00/04/1029490004.db2.gz BNVUAEZEYINKMJ-OAHLLOKOSA-N -1 0 332.421 3.990 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)cc1 ZINC000513817027 1029520055 /nfs/dbraw/zinc/52/00/55/1029520055.db2.gz ZJORQEDWGYBRAG-UHFFFAOYSA-N -1 0 329.830 3.568 20 0 EHADRM CC(C)C[C@](C)(CC(=O)[O-])C(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000634900069 1029529515 /nfs/dbraw/zinc/52/95/15/1029529515.db2.gz BYCKRGZZTNVITB-CRAIPNDOSA-N -1 0 339.476 3.512 20 0 EHADRM C[C@H](O)C[C@H]1CCCCCN1C(=O)c1cc2ccccc2cc1O ZINC000286675372 1029533368 /nfs/dbraw/zinc/53/33/68/1029533368.db2.gz FRJIMULRXUQNLM-WMLDXEAASA-N -1 0 327.424 3.701 20 0 EHADRM O=C([O-])CC1CCN(C(=O)CCSc2ccc(Cl)cc2)CC1 ZINC000261828318 1029563307 /nfs/dbraw/zinc/56/33/07/1029563307.db2.gz BEGFJKHOLZMDIA-UHFFFAOYSA-N -1 0 341.860 3.536 20 0 EHADRM O=S(=O)([N-]c1ccccc1OCC1CC1)c1ccc(F)c(F)c1 ZINC000524853233 1029566863 /nfs/dbraw/zinc/56/68/63/1029566863.db2.gz AUCYPSICRMGJIO-UHFFFAOYSA-N -1 0 339.363 3.554 20 0 EHADRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000162381330 1029591928 /nfs/dbraw/zinc/59/19/28/1029591928.db2.gz HGTBNOSZHDPFMW-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCCC[C@@H]2c2ccco2)c(F)c1 ZINC000262385757 1029592148 /nfs/dbraw/zinc/59/21/48/1029592148.db2.gz MAJUHEHARRHRRB-OAHLLOKOSA-N -1 0 331.343 3.874 20 0 EHADRM CC[C@@H](Cc1ccccc1)NC(=O)c1c(C)ccc(C)c1C(=O)[O-] ZINC000634911514 1029607412 /nfs/dbraw/zinc/60/74/12/1029607412.db2.gz AKLVOBQTNDEJLV-INIZCTEOSA-N -1 0 325.408 3.753 20 0 EHADRM C[C@H](O)C[C@@H](CN=c1nc(C2CCCC2)[n-]s1)c1ccccc1 ZINC000420604736 1029618042 /nfs/dbraw/zinc/61/80/42/1029618042.db2.gz SWWLDORXPKWSOS-BBRMVZONSA-N -1 0 331.485 3.584 20 0 EHADRM Cc1cccc(C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1Cl ZINC000262858887 1029646407 /nfs/dbraw/zinc/64/64/07/1029646407.db2.gz IORORRBVCACOOV-CVEARBPZSA-N -1 0 343.810 3.589 20 0 EHADRM CC1(C(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)CCCC1 ZINC000263004344 1029655369 /nfs/dbraw/zinc/65/53/69/1029655369.db2.gz MQYUEKWYCARULK-UHFFFAOYSA-N -1 0 329.440 3.746 20 0 EHADRM Cc1ccc(-c2ccc(C)c(NC(=O)N3CCC(C(=O)[O-])CC3)c2)o1 ZINC000263071364 1029662781 /nfs/dbraw/zinc/66/27/81/1029662781.db2.gz PZWDLVSWDSAMFG-UHFFFAOYSA-N -1 0 342.395 3.892 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)CC(C)(C)C(F)(F)F)c1ccccc1 ZINC000263097028 1029666066 /nfs/dbraw/zinc/66/60/66/1029666066.db2.gz ILIXPZSYBHNVNP-GXFFZTMASA-N -1 0 331.334 3.543 20 0 EHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)[C@@H](C)CSc1ccc(F)cc1 ZINC000263129333 1029668894 /nfs/dbraw/zinc/66/88/94/1029668894.db2.gz XQTXQTAYJVFMBZ-YVEFUNNKSA-N -1 0 341.448 3.560 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)C1(c2ccccc2)CCCC1 ZINC000263193571 1029673226 /nfs/dbraw/zinc/67/32/26/1029673226.db2.gz IXDAUKQYMYKACA-XHSDSOJGSA-N -1 0 329.440 3.504 20 0 EHADRM Cc1noc(C(C)C)c1NC(=O)c1cccc(Br)c1[O-] ZINC000928785887 1029677322 /nfs/dbraw/zinc/67/73/22/1029677322.db2.gz JFSSYVYUPSQYRN-UHFFFAOYSA-N -1 0 339.189 3.827 20 0 EHADRM CCCc1nc(=NC(=O)N(C)[C@H](C)c2ccc(C)cc2C)s[n-]1 ZINC000583350333 1029685596 /nfs/dbraw/zinc/68/55/96/1029685596.db2.gz VRRVXBTZQJNWCN-CYBMUJFWSA-N -1 0 332.473 3.754 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)N[C@@H](c2cccc(F)c2)C2CCCC2)C1 ZINC000263314318 1029687318 /nfs/dbraw/zinc/68/73/18/1029687318.db2.gz ZHCNGADMHPHYBZ-DOTOQJQBSA-N -1 0 348.418 3.563 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)N[C@H](CC2CCC2)c2ccccc2)C1 ZINC000263319967 1029687551 /nfs/dbraw/zinc/68/75/51/1029687551.db2.gz JIQDQADGLLVFMQ-FHLIZLRMSA-N -1 0 344.455 3.670 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)cc1 ZINC000263383694 1029693110 /nfs/dbraw/zinc/69/31/10/1029693110.db2.gz XTIHAXZBAZWNTH-XDKFSHSGSA-N -1 0 329.440 3.625 20 0 EHADRM Cc1sc(C(=O)N[C@@H](C)[C@H](C)C(=O)[O-])cc1-c1ccc(F)cc1 ZINC000263391988 1029693803 /nfs/dbraw/zinc/69/38/03/1029693803.db2.gz CYZYCDRFHJVAAN-UWVGGRQHSA-N -1 0 335.400 3.702 20 0 EHADRM CCc1c(C)sc(NC(=O)c2ccc(OC)cc2C)c1C(=O)[O-] ZINC000263426127 1029696373 /nfs/dbraw/zinc/69/63/73/1029696373.db2.gz JSOZFRWIWBCFCV-UHFFFAOYSA-N -1 0 333.409 3.886 20 0 EHADRM Cc1ccccc1C1(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)CCC1 ZINC000263426495 1029696797 /nfs/dbraw/zinc/69/67/97/1029696797.db2.gz MHLQPOIASHWUOQ-MRXNPFEDSA-N -1 0 329.440 3.520 20 0 EHADRM CCc1c(C)sc(NC(=O)c2cc(OC)cc(OC)c2)c1C(=O)[O-] ZINC000263450289 1029698673 /nfs/dbraw/zinc/69/86/73/1029698673.db2.gz NYBIJIJLQMRKOT-UHFFFAOYSA-N -1 0 349.408 3.587 20 0 EHADRM Cc1cnc(NC2CCC(C(=O)[O-])CC2)nc1-c1ccccc1F ZINC000263425006 1029704662 /nfs/dbraw/zinc/70/46/62/1029704662.db2.gz QUEKXCABGGGDFJ-UHFFFAOYSA-N -1 0 329.375 3.646 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ncccc2OC)cc1 ZINC000525312704 1029789914 /nfs/dbraw/zinc/78/99/14/1029789914.db2.gz JXIGBZPCTKTHLW-UHFFFAOYSA-N -1 0 334.441 3.579 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cc1OCC1CC1)c1ccc(F)cc1 ZINC000525368685 1029815747 /nfs/dbraw/zinc/81/57/47/1029815747.db2.gz HJPLGKDVGNPLIZ-UHFFFAOYSA-N -1 0 339.363 3.554 20 0 EHADRM CC[C@@H](NC(=O)c1cccc(C(F)(F)F)c1[O-])c1nccs1 ZINC000583449711 1029848071 /nfs/dbraw/zinc/84/80/71/1029848071.db2.gz TZVDSDISAKRJQR-SNVBAGLBSA-N -1 0 330.331 3.749 20 0 EHADRM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cn(C(C)C)cn2)c1C ZINC000446962309 1029866807 /nfs/dbraw/zinc/86/68/07/1029866807.db2.gz JXBRJMOOFPJOPA-UHFFFAOYSA-N -1 0 327.837 3.535 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1cc(F)ccc1OC(C)C ZINC000525535694 1029884453 /nfs/dbraw/zinc/88/44/53/1029884453.db2.gz LYOSVJMZZVGHLX-UHFFFAOYSA-N -1 0 329.418 3.784 20 0 EHADRM C[C@@H](Cc1ccc2ccccc2n1)Sc1n[n-]c(=NC2CC2)s1 ZINC000481734171 1029894717 /nfs/dbraw/zinc/89/47/17/1029894717.db2.gz JUOREOTWMGDYJZ-NSHDSACASA-N -1 0 342.493 3.806 20 0 EHADRM COc1cc(C)c(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)cc1C ZINC000278276656 1029910486 /nfs/dbraw/zinc/91/04/86/1029910486.db2.gz OPRVGBYAPDFIMP-HXUWFJFHSA-N -1 0 341.407 3.683 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N=c1nc(Cc2ccccc2)[n-]s1 ZINC000481753860 1029921068 /nfs/dbraw/zinc/92/10/68/1029921068.db2.gz WAQZBIVFHLQAMT-UHFFFAOYSA-N -1 0 343.839 3.765 20 0 EHADRM Fc1cc(Br)ccc1CN=c1[n-]nc(-c2ccccc2)o1 ZINC000508586048 1029944609 /nfs/dbraw/zinc/94/46/09/1029944609.db2.gz DSKDMXJCPCKGJE-UHFFFAOYSA-N -1 0 348.175 3.672 20 0 EHADRM CO[C@H](C)c1nc(=Nc2ccc(Nc3ccccc3)nc2)s[n-]1 ZINC000509652247 1029947067 /nfs/dbraw/zinc/94/70/67/1029947067.db2.gz WYKQNMOYOFMNSQ-LLVKDONJSA-N -1 0 327.413 3.550 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]C(=O)CCC(C)C)cc1OCC ZINC000042300675 1030004152 /nfs/dbraw/zinc/00/41/52/1030004152.db2.gz VFGVQQGNFOEACZ-UHFFFAOYSA-N -1 0 343.445 3.565 20 0 EHADRM FC(F)Oc1ccc(CCN=c2nc(-c3ccccc3)[n-]s2)cc1 ZINC000525684330 1030017073 /nfs/dbraw/zinc/01/70/73/1030017073.db2.gz XNLOVSRGHCOUKR-UHFFFAOYSA-N -1 0 347.390 3.883 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)Nc2cccc(C(C)C)c2)cc1C(=O)[O-] ZINC000058519071 1030042089 /nfs/dbraw/zinc/04/20/89/1030042089.db2.gz ZMXCTWJISDZDMT-UHFFFAOYSA-N -1 0 347.436 3.926 20 0 EHADRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2ccoc2c1 ZINC000447260883 1030050628 /nfs/dbraw/zinc/05/06/28/1030050628.db2.gz OZESARVYISXJQX-UHFFFAOYSA-N -1 0 337.784 3.896 20 0 EHADRM Cc1cccc(N=c2[n-]nc(SCC(=O)CC3CC3)s2)c1C ZINC000447291326 1030074235 /nfs/dbraw/zinc/07/42/35/1030074235.db2.gz DNYCVPNTPPNAPS-UHFFFAOYSA-N -1 0 333.482 3.782 20 0 EHADRM CCSCc1ccnc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000090367899 1030105605 /nfs/dbraw/zinc/10/56/05/1030105605.db2.gz CUQIZWOUUWGKIE-UHFFFAOYSA-N -1 0 342.873 3.789 20 0 EHADRM Cc1sc([C@@H](C)NCc2cc(Cl)ccc2F)nc1C(=O)[O-] ZINC000900075456 1030119419 /nfs/dbraw/zinc/11/94/19/1030119419.db2.gz URHXLCZNYBWJHC-SSDOTTSWSA-N -1 0 328.796 3.793 20 0 EHADRM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000447343055 1030123825 /nfs/dbraw/zinc/12/38/25/1030123825.db2.gz WOVMWRBDWGAOAK-UHFFFAOYSA-N -1 0 349.843 3.644 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N3CCC(C)(C)C3)s2)c1 ZINC000481979166 1030142607 /nfs/dbraw/zinc/14/26/07/1030142607.db2.gz JFLHLFQSFVXODJ-UHFFFAOYSA-N -1 0 330.457 3.508 20 0 EHADRM CCCCCOc1ccc(S(=O)(=O)[N-]c2nc(C)c(C)o2)cc1 ZINC000481985073 1030148640 /nfs/dbraw/zinc/14/86/40/1030148640.db2.gz BTUDPJNBGNVMHC-UHFFFAOYSA-N -1 0 338.429 3.661 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1c[nH]nc1-c1ccoc1 ZINC000447545024 1030280558 /nfs/dbraw/zinc/28/05/58/1030280558.db2.gz QJFBYKBZOQDCHH-UHFFFAOYSA-N -1 0 338.150 3.934 20 0 EHADRM O=S(=O)([N-]c1cccc2ccncc21)c1cc(F)ccc1Cl ZINC000532038013 1030302428 /nfs/dbraw/zinc/30/24/28/1030302428.db2.gz XZYZFOSQFFCKRH-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM O=C([O-])c1ccc(CN2CCO[C@@H](c3ccccc3F)C2)cc1Cl ZINC000583636379 1030321859 /nfs/dbraw/zinc/32/18/59/1030321859.db2.gz UJBGCVXAVBQNBR-QGZVFWFLSA-N -1 0 349.789 3.751 20 0 EHADRM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)N=c2cc(C)c(C)n[n-]2)cc1 ZINC000532070597 1030359631 /nfs/dbraw/zinc/35/96/31/1030359631.db2.gz NEGZHZXXZCBEGU-MSOLQXFVSA-N -1 0 338.455 3.624 20 0 EHADRM O=C(NCc1ccc(OC(F)F)cc1)c1cc(F)c([O-])c(Cl)c1 ZINC000194368881 1030468503 /nfs/dbraw/zinc/46/85/03/1030468503.db2.gz HNVLCMMNQJQTHA-UHFFFAOYSA-N -1 0 345.704 3.716 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccsc2)ccc1Br ZINC000349918004 1030477552 /nfs/dbraw/zinc/47/75/52/1030477552.db2.gz USZBIAZDRRKNGA-UHFFFAOYSA-N -1 0 332.244 3.620 20 0 EHADRM CCOC(=O)c1ccc(NC(=O)c2cc(C)n(C3CC3)c2C)c(O)c1 ZINC000092551947 1030477956 /nfs/dbraw/zinc/47/79/56/1030477956.db2.gz IJTMFDVNQMGGDT-UHFFFAOYSA-N -1 0 342.395 3.574 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)[C@@H](C)CC2CCCC2)c1 ZINC000532260199 1030525426 /nfs/dbraw/zinc/52/54/26/1030525426.db2.gz UVOLGQZSDJJNHG-GUYCJALGSA-N -1 0 333.428 3.544 20 0 EHADRM CC(C)n1nc(-c2ccco2)cc1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000447860743 1030552543 /nfs/dbraw/zinc/55/25/43/1030552543.db2.gz JIHIXOLALPXVPN-UHFFFAOYSA-N -1 0 347.321 3.960 20 0 EHADRM CC[C@@H](C(=O)Nc1ccccc1-n1ccc(C(=O)[O-])n1)c1ccccc1 ZINC000447892927 1030573409 /nfs/dbraw/zinc/57/34/09/1030573409.db2.gz JYEFWGKSDCKYPD-OAHLLOKOSA-N -1 0 349.390 3.703 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCCC(C)(C)C3)n2)c1 ZINC000527063570 1030597274 /nfs/dbraw/zinc/59/72/74/1030597274.db2.gz PXZVQIAZJNQRMD-UHFFFAOYSA-N -1 0 341.455 3.964 20 0 EHADRM CCSc1n[n-]c(=NCc2ccc(F)c(C(F)(F)F)c2)s1 ZINC000447965467 1030613287 /nfs/dbraw/zinc/61/32/87/1030613287.db2.gz PAUKEGDUFXNOOI-UHFFFAOYSA-N -1 0 337.367 3.842 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)CC(C)(C)c2ccccc2)sc1C(=O)[O-] ZINC000237516890 1030641127 /nfs/dbraw/zinc/64/11/27/1030641127.db2.gz LNRDADZJHBZNJS-GFCCVEGCSA-N -1 0 346.452 3.695 20 0 EHADRM COc1ccc(Br)c(Nc2ccc(C)c(C(=O)[O-])c2)n1 ZINC001211596345 1030645842 /nfs/dbraw/zinc/64/58/42/1030645842.db2.gz CSQZWTQRXKKEAA-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2cc3ccccc3o2)c(C)cc1C ZINC000527280798 1030749444 /nfs/dbraw/zinc/74/94/44/1030749444.db2.gz AOKBCGVORPAQSI-UHFFFAOYSA-N -1 0 331.393 3.859 20 0 EHADRM CC(C)(CNC(=O)N=c1ccc(C2CC2)n[n-]1)c1cccc(Cl)c1 ZINC000448152406 1030775114 /nfs/dbraw/zinc/77/51/14/1030775114.db2.gz ZBQOILDTBVHTCF-UHFFFAOYSA-N -1 0 344.846 3.529 20 0 EHADRM O=S(=O)(Cc1ccc(F)cc1)[N-]c1nc(-c2ccccc2)cs1 ZINC000192611483 1030776835 /nfs/dbraw/zinc/77/68/35/1030776835.db2.gz LDXLDKJCIRLHLF-UHFFFAOYSA-N -1 0 348.424 3.891 20 0 EHADRM CCC[C@H](NC(=O)N=c1ccc(C2CC2)n[n-]1)c1ccc(F)cc1F ZINC000448159464 1030778920 /nfs/dbraw/zinc/77/89/20/1030778920.db2.gz YYLCXAHMNVIZDU-INIZCTEOSA-N -1 0 346.381 3.717 20 0 EHADRM O=C([O-])CCCCNc1ccnc2cc(F)c(Br)cc21 ZINC000668160585 1030815479 /nfs/dbraw/zinc/81/54/79/1030815479.db2.gz VDIVZKAWNBYMJH-UHFFFAOYSA-N -1 0 341.180 3.803 20 0 EHADRM CC(C)c1nnc(N2CCC(c3ccccc3C(=O)[O-])CC2)s1 ZINC000668168703 1030830142 /nfs/dbraw/zinc/83/01/42/1030830142.db2.gz VGIDOBATKUEAAQ-UHFFFAOYSA-N -1 0 331.441 3.744 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(c2ncnc3sccc32)CC1 ZINC000668168576 1030830835 /nfs/dbraw/zinc/83/08/35/1030830835.db2.gz HQHVWEVDYPLURS-UHFFFAOYSA-N -1 0 339.420 3.774 20 0 EHADRM Cc1ccc(Nc2ccn3c(Br)cnc3c2)cc1C(=O)[O-] ZINC001211599118 1030831637 /nfs/dbraw/zinc/83/16/37/1030831637.db2.gz BDABPGCCEDEWHC-UHFFFAOYSA-N -1 0 346.184 3.847 20 0 EHADRM CC(C)c1ccc(C(=O)N=c2[nH]n(CC(F)(F)F)cc2Cl)cc1 ZINC000648433947 1030908635 /nfs/dbraw/zinc/90/86/35/1030908635.db2.gz WAQVGFGAFVKEMR-UHFFFAOYSA-N -1 0 345.752 3.896 20 0 EHADRM COc1ccc2c(c1)CCCN(C(=O)c1cc(SC)ccc1O)C2 ZINC000668192979 1030910797 /nfs/dbraw/zinc/91/07/97/1030910797.db2.gz RVJFTNUSWFZFAY-UHFFFAOYSA-N -1 0 343.448 3.711 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1cccc(Cl)c1Br ZINC000235078789 1030921313 /nfs/dbraw/zinc/92/13/13/1030921313.db2.gz MGVGBIDNRBIFBL-SSDOTTSWSA-N -1 0 334.597 3.542 20 0 EHADRM CCCc1nc(=NC(=O)N(C)[C@H](CC)Cc2ccc(C)cc2)s[n-]1 ZINC000583864424 1030979523 /nfs/dbraw/zinc/97/95/23/1030979523.db2.gz KOSKVFFUQSXYRW-OAHLLOKOSA-N -1 0 346.500 3.706 20 0 EHADRM Cc1ccc(Nc2cc(Cl)ccc2N2CCOCC2)cc1C(=O)[O-] ZINC001211601823 1031048709 /nfs/dbraw/zinc/04/87/09/1031048709.db2.gz MZJCNZHBQUKDNX-UHFFFAOYSA-N -1 0 346.814 3.927 20 0 EHADRM CCCc1nc(=NC(=O)C[C@H](c2ccccc2)C(F)(F)F)s[n-]1 ZINC000483695127 1031289885 /nfs/dbraw/zinc/28/98/85/1031289885.db2.gz FOZRUWWAHDZXIM-LLVKDONJSA-N -1 0 343.374 3.587 20 0 EHADRM CCc1c(C(=O)N=c2nc(C(C)(C)C)[n-]s2)cnn1C(CC)CC ZINC000483825240 1031355591 /nfs/dbraw/zinc/35/55/91/1031355591.db2.gz VRFFKVKPPDRJAS-UHFFFAOYSA-N -1 0 349.504 3.630 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2CCCC[C@@H]2c2ccc(F)cc2)s1 ZINC000483840692 1031371103 /nfs/dbraw/zinc/37/11/03/1031371103.db2.gz VCLRIIKQCRVWJK-CQSZACIVSA-N -1 0 348.447 3.811 20 0 EHADRM CC(C)(c1ccc(C(=O)N2CCC[C@H]2CC(=O)[O-])cc1)C(F)(F)F ZINC000668289017 1031397150 /nfs/dbraw/zinc/39/71/50/1031397150.db2.gz MSQSKQVYCYSGPZ-ZDUSSCGKSA-N -1 0 343.345 3.606 20 0 EHADRM Cc1cccc2cc(C(=O)N3CC[C@](C(=O)[O-])(C(C)C)C3)sc21 ZINC000668288456 1031398306 /nfs/dbraw/zinc/39/83/06/1031398306.db2.gz YCEMDJCMWKJIHY-GOSISDBHSA-N -1 0 331.437 3.783 20 0 EHADRM Cc1[nH]nc([N-]S(=O)(=O)c2csc3ccc(Cl)cc32)c1C ZINC000151417428 1031413003 /nfs/dbraw/zinc/41/30/03/1031413003.db2.gz OPUKNUZBYMVBGD-UHFFFAOYSA-N -1 0 341.845 3.695 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCCC[C@H]3C)n2)c1 ZINC000176263606 1031448443 /nfs/dbraw/zinc/44/84/43/1031448443.db2.gz ONIDSANLHAADCF-CQSZACIVSA-N -1 0 327.428 3.716 20 0 EHADRM COc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1O ZINC000484068286 1031449963 /nfs/dbraw/zinc/44/99/63/1031449963.db2.gz FJQKOGGASAWLLX-UHFFFAOYSA-N -1 0 348.207 3.508 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CNC(=O)CC2(C(=O)[O-])CCC2)c2ccccc21 ZINC000668322055 1031482186 /nfs/dbraw/zinc/48/21/86/1031482186.db2.gz IOMOGZSSXNIATG-YOEHRIQHSA-N -1 0 329.440 3.675 20 0 EHADRM CN(CCC(=O)OC(C)(C)C)C(=O)c1c([O-])cc(Cl)cc1Cl ZINC000163488703 1031491467 /nfs/dbraw/zinc/49/14/67/1031491467.db2.gz CSCSPSRMNSTDSD-UHFFFAOYSA-N -1 0 348.226 3.503 20 0 EHADRM O=C(Nc1nnc(-c2ccsc2)s1)c1cc(F)c([O-])c(F)c1 ZINC000177148646 1031516263 /nfs/dbraw/zinc/51/62/63/1031516263.db2.gz FLJXTBVBWUTESO-UHFFFAOYSA-N -1 0 339.348 3.503 20 0 EHADRM C[C@@H](CC(=O)[O-])c1ccc(NCc2c(Cl)nc(Cl)n2C)cc1 ZINC000904015751 1031602603 /nfs/dbraw/zinc/60/26/03/1031602603.db2.gz WIFLFCJOZYEHTK-VIFPVBQESA-N -1 0 342.226 3.917 20 0 EHADRM C/C(=C/c1ccccc1C(F)(F)F)CNCc1nocc1C(=O)[O-] ZINC000904023060 1031617437 /nfs/dbraw/zinc/61/74/37/1031617437.db2.gz GGHDBSTVZVZAGC-POHAHGRESA-N -1 0 340.301 3.585 20 0 EHADRM CC(C)[C@@H]1C[C@](NCc2nccn2C(C)C)(C(=O)[O-])c2ccccc21 ZINC000904011051 1031627805 /nfs/dbraw/zinc/62/78/05/1031627805.db2.gz WTWUQPNEWHGWQL-OXJNMPFZSA-N -1 0 341.455 3.677 20 0 EHADRM CC(C)c1c[nH]c(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)n1 ZINC000904026668 1031669758 /nfs/dbraw/zinc/66/97/58/1031669758.db2.gz XVHDCJWTHWFDOP-CQSZACIVSA-N -1 0 342.226 3.755 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cncc3ccccc32)c1 ZINC000533934052 1031717277 /nfs/dbraw/zinc/71/72/77/1031717277.db2.gz JAHUTODEKLPDBV-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM Cc1cccc([C@@H](C)C(=O)NCc2ccc(O)c(Br)c2)c1 ZINC000151612035 1031744996 /nfs/dbraw/zinc/74/49/96/1031744996.db2.gz ICFYWCVQNBRXDN-GFCCVEGCSA-N -1 0 348.240 3.883 20 0 EHADRM Cc1cc(C)c(NC(=O)CC(C)(C)C(=O)[O-])c(Br)c1 ZINC000134032039 1031785073 /nfs/dbraw/zinc/78/50/73/1031785073.db2.gz HZZSPSQROQNIDW-UHFFFAOYSA-N -1 0 328.206 3.505 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCc2c(Cl)cccc2C1 ZINC000180048894 1031833767 /nfs/dbraw/zinc/83/37/67/1031833767.db2.gz FVEFYEBCAQVUHL-UHFFFAOYSA-N -1 0 341.716 3.661 20 0 EHADRM O=C([O-])N[C@H]1C[C@@H](Nc2ccccc2CC(F)(F)F)C12CCC2 ZINC000904198598 1031845612 /nfs/dbraw/zinc/84/56/12/1031845612.db2.gz BTPWBOOKIBNBPE-OLZOCXBDSA-N -1 0 328.334 3.782 20 0 EHADRM Cc1nc(-c2ccc(N[C@@H]3C[C@@H](NC(=O)[O-])C34CCC4)cc2)oc1C ZINC000904201016 1031846826 /nfs/dbraw/zinc/84/68/26/1031846826.db2.gz YNZXJXZFYAJFFR-HZPDHXFCSA-N -1 0 341.411 3.949 20 0 EHADRM O=C([O-])N[C@@H]1C[C@H](Nc2ccc(SC(F)F)cc2)C12CCC2 ZINC000904199658 1031848412 /nfs/dbraw/zinc/84/84/12/1031848412.db2.gz QPISSESBRJQYNA-NWDGAFQWSA-N -1 0 328.384 3.992 20 0 EHADRM COc1c(Cl)cc(N[C@H]2C[C@H](NC(=O)[O-])C23CCC3)cc1Cl ZINC000904200059 1031848444 /nfs/dbraw/zinc/84/84/44/1031848444.db2.gz PWJRRQHQAQVTBX-RYUDHWBXSA-N -1 0 345.226 3.993 20 0 EHADRM Cc1ccc(N[C@@H]2C[C@@H](NC(=O)[O-])C23CCC3)cc1OC(F)F ZINC000904200702 1031848800 /nfs/dbraw/zinc/84/88/00/1031848800.db2.gz ZVDVASXTZNTIRE-CHWSQXEVSA-N -1 0 326.343 3.587 20 0 EHADRM C[C@H](NC(=O)C[C@H](C(=O)[O-])c1ccccc1)c1cccc(C2CC2)c1 ZINC000666105989 1031867820 /nfs/dbraw/zinc/86/78/20/1031867820.db2.gz XVLHJTUZSWNAKI-LIRRHRJNSA-N -1 0 337.419 4.000 20 0 EHADRM C[C@@H](NC(=O)C[C@H](C(=O)[O-])c1ccccc1)c1cccc(C2CC2)c1 ZINC000666105988 1031869341 /nfs/dbraw/zinc/86/93/41/1031869341.db2.gz XVLHJTUZSWNAKI-KUHUBIRLSA-N -1 0 337.419 4.000 20 0 EHADRM O=C([O-])N[C@H]1C[C@H](Nc2cccc(C3CCOCC3)c2)C12CCC2 ZINC000904252525 1031874320 /nfs/dbraw/zinc/87/43/20/1031874320.db2.gz BRZAWKKZYAFJAE-IRXDYDNUSA-N -1 0 330.428 3.571 20 0 EHADRM COc1ccc2cc(N[C@@H]3C[C@@H](NC(=O)[O-])C34CCC4)ccc2c1 ZINC000904239967 1031886815 /nfs/dbraw/zinc/88/68/15/1031886815.db2.gz QXZDTDPJYMKGMB-IAGOWNOFSA-N -1 0 326.396 3.839 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nc(C)c(Cl)cc2Cl)s1 ZINC000537751987 1031890070 /nfs/dbraw/zinc/89/00/70/1031890070.db2.gz NYDWNKAETWWARH-UHFFFAOYSA-N -1 0 337.253 3.868 20 0 EHADRM Cc1ncoc1-c1ccc(N[C@@H]2C[C@H](NC(=O)[O-])C23CCC3)cc1 ZINC000904257718 1031905175 /nfs/dbraw/zinc/90/51/75/1031905175.db2.gz CHHGBLWWEGQRIT-CABCVRRESA-N -1 0 327.384 3.641 20 0 EHADRM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc(C(F)(F)F)nc1 ZINC000181196094 1031951874 /nfs/dbraw/zinc/95/18/74/1031951874.db2.gz ZYWIFOQUNBRFGC-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM Cc1ccc(C)c([C@@H](C)N(C)C(=O)c2ccc(C(=O)[O-])c(C)n2)c1 ZINC000448990181 1031998403 /nfs/dbraw/zinc/99/84/03/1031998403.db2.gz IAVBQOMYOSANLB-CQSZACIVSA-N -1 0 326.396 3.538 20 0 EHADRM C[C@H](NC(=O)C(C)(C)C(=O)[O-])c1ccc(Oc2ccccc2)cc1 ZINC000574574041 1033300741 /nfs/dbraw/zinc/30/07/41/1033300741.db2.gz AACAUXLRZSXDAU-ZDUSSCGKSA-N -1 0 327.380 3.767 20 0 EHADRM O=C(Nc1nccc(Br)c1[O-])c1ccc(Cl)c(F)c1 ZINC001150031726 1131732584 /nfs/dbraw/zinc/73/25/84/1131732584.db2.gz DUTPEZFJZBZRIW-UHFFFAOYSA-N -1 0 345.555 3.595 20 0 EHADRM CSCCCC(=O)N1CCC([C@@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000598663394 1033362159 /nfs/dbraw/zinc/36/21/59/1033362159.db2.gz YBHGTULQZKACMA-KRWDZBQOSA-N -1 0 349.496 3.627 20 0 EHADRM CC[C@@H](NC(=O)N=c1nc([C@@H](C)OC)[n-]s1)c1cc(C)ccc1C ZINC000529100743 1033398566 /nfs/dbraw/zinc/39/85/66/1033398566.db2.gz DSOLZXADWYCGQS-TZMCWYRMSA-N -1 0 348.472 3.557 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@H]2CCSc3ccc(F)cc32)CCCC1 ZINC000390380363 1033519318 /nfs/dbraw/zinc/51/93/18/1033519318.db2.gz UYGKLQJOMFJIGD-ZDUSSCGKSA-N -1 0 337.416 3.514 20 0 EHADRM COCCCOc1ccc(-c2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000594874480 1033529066 /nfs/dbraw/zinc/52/90/66/1033529066.db2.gz QVIJWJDWRBXQRU-AWEZNQCLSA-N -1 0 330.380 3.621 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N[C@H](CC2CC2)c2ccccc2)s1 ZINC000608264079 1033558578 /nfs/dbraw/zinc/55/85/78/1033558578.db2.gz LJKURMFMGMEBBY-OAHLLOKOSA-N -1 0 344.484 3.966 20 0 EHADRM O=C(N=c1[n-]nc(C2CC2)s1)N[C@@H](CC1CC1)c1ccccc1 ZINC000608263429 1033559244 /nfs/dbraw/zinc/55/92/44/1033559244.db2.gz RJXRZYHEBURJQA-AWEZNQCLSA-N -1 0 328.441 3.500 20 0 EHADRM CC(C)Oc1ccc(=NC(=O)N(C)[C@H](C)c2ccccc2Cl)[n-]n1 ZINC000476358097 1033566684 /nfs/dbraw/zinc/56/66/84/1033566684.db2.gz YYXHAOGJMCVXBV-GFCCVEGCSA-N -1 0 348.834 3.564 20 0 EHADRM CCc1cc(Sc2n[n-]c(=Nc3cccc(C)c3)s2)ncn1 ZINC000603369512 1033577346 /nfs/dbraw/zinc/57/73/46/1033577346.db2.gz LJUIMXHOKIGQJE-UHFFFAOYSA-N -1 0 329.454 3.516 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](c2ccccc2)C(C)C)cc1C ZINC000173884034 1033591670 /nfs/dbraw/zinc/59/16/70/1033591670.db2.gz UYARSBRXJHTJBJ-GOSISDBHSA-N -1 0 345.464 3.548 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])ccc1C(F)(F)F ZINC000608340736 1033645540 /nfs/dbraw/zinc/64/55/40/1033645540.db2.gz VIBLQBLNJXHMLU-NEPJUHHUSA-N -1 0 327.302 3.619 20 0 EHADRM COc1ccc([C@H](NC(=O)c2c([O-])cc(F)cc2F)C(C)C)cc1 ZINC000608421559 1033677068 /nfs/dbraw/zinc/67/70/68/1033677068.db2.gz GMMNFAJZDSBJAI-QGZVFWFLSA-N -1 0 335.350 3.806 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)c1 ZINC000476376695 1033678063 /nfs/dbraw/zinc/67/80/63/1033678063.db2.gz KWXHLQLVSFDBMQ-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)/C=C\c1ccc(Cl)cc1 ZINC000692453564 1033757784 /nfs/dbraw/zinc/75/77/84/1033757784.db2.gz AJKRAXPHGMMNFO-FLIBITNWSA-N -1 0 343.810 3.857 20 0 EHADRM COc1cc(CNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)ccc1C(=O)[O-] ZINC000191054806 1033858995 /nfs/dbraw/zinc/85/89/95/1033858995.db2.gz XIFFEEDOFNUNDN-BZUAXINKSA-N -1 0 345.439 3.616 20 0 EHADRM COc1ccc([C@@H](C)N=c2[n-]nc(C(C)C)o2)cc1Br ZINC000450231838 1033950400 /nfs/dbraw/zinc/95/04/00/1033950400.db2.gz USXDZFKZZWZGRK-SECBINFHSA-N -1 0 340.221 3.559 20 0 EHADRM CC(C)c1n[n-]c(=N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)o1 ZINC000450273580 1033994071 /nfs/dbraw/zinc/99/40/71/1033994071.db2.gz COALZMFVWHATSG-JTQLQIEISA-N -1 0 329.322 3.729 20 0 EHADRM COCCCOc1ccccc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000057121004 1034096350 /nfs/dbraw/zinc/09/63/50/1034096350.db2.gz KLHXVUOLJPFPNZ-UHFFFAOYSA-N -1 0 349.452 3.520 20 0 EHADRM Cc1cnc(CCCC(=O)Nc2cc(Cl)cc(Cl)c2[O-])o1 ZINC000450341734 1034144851 /nfs/dbraw/zinc/14/48/51/1034144851.db2.gz MNHAEBHUZCZZJI-UHFFFAOYSA-N -1 0 329.183 3.957 20 0 EHADRM CSc1ccccc1[C@@H](C)NC(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000669774866 1034171928 /nfs/dbraw/zinc/17/19/28/1034171928.db2.gz INBHSMKRWCMTST-CZUORRHYSA-N -1 0 343.448 3.844 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)s1 ZINC000534206444 1034232874 /nfs/dbraw/zinc/23/28/74/1034232874.db2.gz AFNPABRIRLHQLG-UHFFFAOYSA-N -1 0 344.461 3.843 20 0 EHADRM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(Cl)c(F)c1 ZINC000604304257 1034317696 /nfs/dbraw/zinc/31/76/96/1034317696.db2.gz XIHUEPHSWQSKAO-UHFFFAOYSA-N -1 0 345.827 3.674 20 0 EHADRM CC[C@H](NC(=O)C(C#N)=C([O-])c1ccc(C)c(C)c1)c1ccccc1 ZINC000191799223 1034355808 /nfs/dbraw/zinc/35/58/08/1034355808.db2.gz TWCPOXANEGDIKQ-MOPGFXCFSA-N -1 0 334.419 3.893 20 0 EHADRM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000534332261 1034406586 /nfs/dbraw/zinc/40/65/86/1034406586.db2.gz ZIJIDLUZNNUPHE-UHFFFAOYSA-N -1 0 340.832 3.631 20 0 EHADRM COc1cc(CNC(=O)CC[C@H](C)c2ccccc2)ccc1C(=O)[O-] ZINC000450512722 1034449920 /nfs/dbraw/zinc/44/99/20/1034449920.db2.gz SGZBCRVOPUXNMN-AWEZNQCLSA-N -1 0 341.407 3.594 20 0 EHADRM CCc1oc(C(=O)N2CC[C@H](c3ccccc3)C[C@@H]2C)cc1C(=O)[O-] ZINC000450532029 1034465492 /nfs/dbraw/zinc/46/54/92/1034465492.db2.gz LWQAHECFPWAXRZ-ZFWWWQNUSA-N -1 0 341.407 3.949 20 0 EHADRM CCc1oc(C(=O)N(C)[C@@H](C)Cc2ccccc2C)cc1C(=O)[O-] ZINC000450544368 1034500940 /nfs/dbraw/zinc/50/09/40/1034500940.db2.gz OBGIFSHCEWMIII-ZDUSSCGKSA-N -1 0 329.396 3.552 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)N[C@H]2CCC[C@@H]2c2ccccc2)s[n-]1 ZINC000604800627 1034508693 /nfs/dbraw/zinc/50/86/93/1034508693.db2.gz AFIYKVZMENRFHI-KGLIPLIRSA-N -1 0 344.484 3.715 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)N2CC(C)(C)[C@@H]2c2ccccc2)s[n-]1 ZINC000604801434 1034511010 /nfs/dbraw/zinc/51/10/10/1034511010.db2.gz IVFDPARPLZYELP-ZDUSSCGKSA-N -1 0 344.484 3.873 20 0 EHADRM COCCSc1ccc([C@@H](C)Nc2ncccc2C(=O)[O-])cc1 ZINC000647449759 1034581107 /nfs/dbraw/zinc/58/11/07/1034581107.db2.gz QKATXJZFSLSPMD-GFCCVEGCSA-N -1 0 332.425 3.691 20 0 EHADRM CC1(C(=O)[O-])CCN(c2nc3cc(Cl)cc(Cl)c3o2)CC1 ZINC000647457539 1034594141 /nfs/dbraw/zinc/59/41/41/1034594141.db2.gz NDQBOOLFHZITBD-UHFFFAOYSA-N -1 0 329.183 3.826 20 0 EHADRM COCCc1nc(=N[C@@H](c2ccc(F)c(Cl)c2)C2CC2)s[n-]1 ZINC000450681822 1034680250 /nfs/dbraw/zinc/68/02/50/1034680250.db2.gz NCOUSHSFUREGDY-CQSZACIVSA-N -1 0 341.839 3.505 20 0 EHADRM CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccccc1C#N ZINC000076759277 1034769249 /nfs/dbraw/zinc/76/92/49/1034769249.db2.gz YWEHKJMZXTZGNX-AWEZNQCLSA-N -1 0 336.457 3.951 20 0 EHADRM CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1C#N ZINC000076759367 1034770685 /nfs/dbraw/zinc/77/06/85/1034770685.db2.gz JIQVSTNTFCSYRV-AWEZNQCLSA-N -1 0 336.457 3.951 20 0 EHADRM CSc1ccc(O)c(C(=O)N2CCC[C@H]2CC(=O)c2ccco2)c1 ZINC000612321589 1034773594 /nfs/dbraw/zinc/77/35/94/1034773594.db2.gz FNOGAHSDTFBGKZ-LBPRGKRZSA-N -1 0 345.420 3.585 20 0 EHADRM O=C(CCCC1CCCC1)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000076767047 1034816513 /nfs/dbraw/zinc/81/65/13/1034816513.db2.gz MSGJELFTPUUOTQ-UHFFFAOYSA-N -1 0 331.384 3.971 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)N[C@@H](C)c1cc2ccccc2s1 ZINC000601983352 1034846954 /nfs/dbraw/zinc/84/69/54/1034846954.db2.gz KZTXSBJTKIFNJW-AXFHLTTASA-N -1 0 337.466 3.673 20 0 EHADRM COc1cccc(OCCCN=c2[n-]nc(-c3ccccc3)s2)c1 ZINC000606156111 1034877964 /nfs/dbraw/zinc/87/79/64/1034877964.db2.gz YZKNEIRWEUOIBH-UHFFFAOYSA-N -1 0 341.436 3.517 20 0 EHADRM CCn1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(C)C)nc1C ZINC000530147030 1035006276 /nfs/dbraw/zinc/00/62/76/1035006276.db2.gz WXPXDBHLLAAOOB-UHFFFAOYSA-N -1 0 341.864 3.789 20 0 EHADRM Cc1csc(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)c1 ZINC000450996616 1035008664 /nfs/dbraw/zinc/00/86/64/1035008664.db2.gz VKNRJEHOBMUCTG-UHFFFAOYSA-N -1 0 325.455 3.782 20 0 EHADRM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1sccc1Cl)C(F)(F)F ZINC000451012716 1035032019 /nfs/dbraw/zinc/03/20/19/1035032019.db2.gz XIYZBPUAFJWCDE-SVRRBLITSA-N -1 0 335.800 3.657 20 0 EHADRM C[C@@H](C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1cc2ccccc2o1 ZINC000347355345 1035041522 /nfs/dbraw/zinc/04/15/22/1035041522.db2.gz WHUAABDVTXXMMR-DYVFJYSZSA-N -1 0 349.386 3.747 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)cc1 ZINC000570121969 1035065595 /nfs/dbraw/zinc/06/55/95/1035065595.db2.gz ROCGFEGXNKOIPJ-HNNXBMFYSA-N -1 0 343.370 3.718 20 0 EHADRM Cc1ccccc1-c1n[n-]c(=NCc2cnc(-c3ccccc3)nc2)o1 ZINC000570443048 1035263748 /nfs/dbraw/zinc/26/37/48/1035263748.db2.gz RPCAJCMCQYADDB-UHFFFAOYSA-N -1 0 343.390 3.536 20 0 EHADRM O=S(=O)([N-]c1ccnn1C1CCCC1)c1ccc(F)cc1Cl ZINC000066248845 1035326797 /nfs/dbraw/zinc/32/67/97/1035326797.db2.gz UHUGWKJEMNXRIS-UHFFFAOYSA-N -1 0 343.811 3.592 20 0 EHADRM CC(C)CN(CC(C)C)C(=O)N=c1[n-]nc(Cc2ccccc2)s1 ZINC000612990013 1035340320 /nfs/dbraw/zinc/34/03/20/1035340320.db2.gz MWGKDQDVVHLKEU-UHFFFAOYSA-N -1 0 346.500 3.697 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1cc(C)c2ccccc2n1 ZINC000431777890 1035470709 /nfs/dbraw/zinc/47/07/09/1035470709.db2.gz DRSHKOLIZAHMJI-SFHVURJKSA-N -1 0 348.402 3.797 20 0 EHADRM CC[C@@H](C)NC(=O)C[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000414100254 1035495693 /nfs/dbraw/zinc/49/56/93/1035495693.db2.gz RHVYCTDRHNYDMF-RFAUZJTJSA-N -1 0 332.227 3.641 20 0 EHADRM COCCOc1ccc(-c2ccccc2SCCC(=O)[O-])cc1 ZINC000571464106 1035501777 /nfs/dbraw/zinc/50/17/77/1035501777.db2.gz OZVNKRMIIWLCAU-UHFFFAOYSA-N -1 0 332.421 3.946 20 0 EHADRM CO[C@@H](C)c1nc(=NCc2ccc(-c3ccccc3)cc2)s[n-]1 ZINC000509711375 1035519318 /nfs/dbraw/zinc/51/93/18/1035519318.db2.gz IJVWYVUMALLEGE-ZDUSSCGKSA-N -1 0 325.437 3.947 20 0 EHADRM CCCOc1ccc(S(=O)(=O)[N-]c2ncc(CCC)s2)cc1 ZINC000540652858 1035528624 /nfs/dbraw/zinc/52/86/24/1035528624.db2.gz ILLNFSGFMMGYLE-UHFFFAOYSA-N -1 0 340.470 3.685 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(Cl)c(F)c1)C1CCCCC1 ZINC000431796994 1035545862 /nfs/dbraw/zinc/54/58/62/1035545862.db2.gz BSIDSKXJBRBCKP-CQSZACIVSA-N -1 0 327.783 3.633 20 0 EHADRM CCc1oc(C(=O)N(C)[C@H]2CCCc3ccccc32)cc1C(=O)[O-] ZINC000571541892 1035550355 /nfs/dbraw/zinc/55/03/55/1035550355.db2.gz OXYIQLLIKVHCAO-HNNXBMFYSA-N -1 0 327.380 3.690 20 0 EHADRM COc1cc(C)c(NC(=O)c2cc(F)c(F)c([O-])c2F)cc1F ZINC000186044794 1035572226 /nfs/dbraw/zinc/57/22/26/1035572226.db2.gz NHFZWYBFHPGCOG-UHFFFAOYSA-N -1 0 329.249 3.518 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2c(F)cccc2Cl)cc1F ZINC000463523527 1035582409 /nfs/dbraw/zinc/58/24/09/1035582409.db2.gz BZSZVLLUOSDEMT-UHFFFAOYSA-N -1 0 347.770 3.818 20 0 EHADRM CCOc1ccc(CN=c2[n-]nc(CCCc3ccccc3)o2)cc1 ZINC000540705583 1035586193 /nfs/dbraw/zinc/58/61/93/1035586193.db2.gz UYWYLLOKMXSZJQ-UHFFFAOYSA-N -1 0 337.423 3.678 20 0 EHADRM Cc1ccc(S(=O)(=O)C(=C([O-])c2ccccc2)C(C)C)cc1C ZINC000492315907 1035603743 /nfs/dbraw/zinc/60/37/43/1035603743.db2.gz ZRDNPUYLWPOGRW-LJQANCHMSA-N -1 0 330.449 3.985 20 0 EHADRM COc1ccc(Cl)cc1Nc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC001213187322 1035668574 /nfs/dbraw/zinc/66/85/74/1035668574.db2.gz JNZDNGHAFXPHOI-UHFFFAOYSA-N -1 0 348.786 3.896 20 0 EHADRM CC(C)N(C(=O)c1nn(-c2cccc(F)c2)cc1[O-])C1CC(C)(C)C1 ZINC000457063646 1035675601 /nfs/dbraw/zinc/67/56/01/1035675601.db2.gz ANTVVZDSUDYYMC-UHFFFAOYSA-N -1 0 345.418 3.756 20 0 EHADRM Cc1cc(CN=c2[n-]nc(CC(C)(C)C)o2)sc1Br ZINC000540792108 1035687350 /nfs/dbraw/zinc/68/73/50/1035687350.db2.gz XELJLQCSTLNXRS-UHFFFAOYSA-N -1 0 344.278 3.825 20 0 EHADRM Cc1cc(NC(=O)[C@H]2CSc3ccccc32)cc(C(=O)[O-])c1C ZINC000321400072 1035735283 /nfs/dbraw/zinc/73/52/83/1035735283.db2.gz LCOINHJPDGJUET-HNNXBMFYSA-N -1 0 327.405 3.830 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2cccc(-c3ccccc3)c2)C1 ZINC000263098742 1035761789 /nfs/dbraw/zinc/76/17/89/1035761789.db2.gz JRRKQOXBZRFZPL-WMLDXEAASA-N -1 0 338.407 3.928 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)cc1 ZINC000588176610 1035801570 /nfs/dbraw/zinc/80/15/70/1035801570.db2.gz JKLBPWSBSJOZHQ-VLIAUNLRSA-N -1 0 347.455 3.934 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N2CC(C)(CC)C2)s1)c1ccccc1 ZINC000463748383 1035806542 /nfs/dbraw/zinc/80/65/42/1035806542.db2.gz SDYMWHQOEIWYPY-CQSZACIVSA-N -1 0 344.484 3.766 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1c(C)noc1-c1ccccc1 ZINC000463785516 1035849698 /nfs/dbraw/zinc/84/96/98/1035849698.db2.gz ZJZPXUDIKNZGOW-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1O ZINC000174257314 1035862299 /nfs/dbraw/zinc/86/22/99/1035862299.db2.gz USMQRSVWNWHXFT-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM O=C(Nc1ccc(F)c(F)c1[O-])C1(CCOCc2ccccc2)CC1 ZINC000457288591 1035919517 /nfs/dbraw/zinc/91/95/17/1035919517.db2.gz HLIZVFORXUBFLY-UHFFFAOYSA-N -1 0 347.361 3.996 20 0 EHADRM CCCC[C@@H](NC(=O)N[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000572029201 1035950878 /nfs/dbraw/zinc/95/08/78/1035950878.db2.gz MYDWZNRLZKRUTC-GXFFZTMASA-N -1 0 346.349 3.709 20 0 EHADRM O=S(=O)([N-]c1cccc2c1OCO2)c1cc(Cl)ccc1Cl ZINC000541084590 1035970229 /nfs/dbraw/zinc/97/02/29/1035970229.db2.gz MUXBYEHAROEERA-UHFFFAOYSA-N -1 0 346.191 3.523 20 0 EHADRM Cc1cccc(-c2cccc(CNC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])c2)c1 ZINC000588689197 1035974776 /nfs/dbraw/zinc/97/47/76/1035974776.db2.gz ZRLRLBOVCDYELH-WOJBJXKFSA-N -1 0 349.430 3.945 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)N[C@H](C)c1cccc2ccccc21)C1CC1 ZINC000572194995 1036039606 /nfs/dbraw/zinc/03/96/06/1036039606.db2.gz OHYVDZUHKWWCLB-ACJLOTCBSA-N -1 0 340.423 3.938 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)Nc2cccc(C3CC3)n2)c1 ZINC000263111554 1036070082 /nfs/dbraw/zinc/07/00/82/1036070082.db2.gz VRXBNDCQIXKPNP-UHFFFAOYSA-N -1 0 325.368 3.620 20 0 EHADRM COc1c(C)cc(S(=O)(=O)Nc2cccc3c2ccn3C)cc1C ZINC000588834009 1036132759 /nfs/dbraw/zinc/13/27/59/1036132759.db2.gz ZBBFMAWXSWFIHM-UHFFFAOYSA-N -1 0 344.436 3.605 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cc3ccccc3o2)nn1[C@H](C)C1CC1 ZINC000541305805 1036174503 /nfs/dbraw/zinc/17/45/03/1036174503.db2.gz TYHWWSKZTXLZAL-GFCCVEGCSA-N -1 0 345.424 3.710 20 0 EHADRM O=S(=O)([N-]c1ccc(OC2CCC2)c(F)c1)c1ccccc1F ZINC000175040469 1036215321 /nfs/dbraw/zinc/21/53/21/1036215321.db2.gz MVBGZAVRUISGHL-UHFFFAOYSA-N -1 0 339.363 3.697 20 0 EHADRM CN(C[C@H]1CCCOC1)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000175225195 1036266366 /nfs/dbraw/zinc/26/63/66/1036266366.db2.gz PRXVHABVHWKISV-GFCCVEGCSA-N -1 0 333.815 3.697 20 0 EHADRM Cc1cc(Cl)ccc1CN=c1[n-]nc(Cc2cccc(F)c2)o1 ZINC000464333898 1036358442 /nfs/dbraw/zinc/35/84/42/1036358442.db2.gz FAYQFBIYLREKFO-UHFFFAOYSA-N -1 0 331.778 3.795 20 0 EHADRM O=C([O-])c1ccccc1COc1cccc(-c2nc3cc[nH]cc-3n2)c1 ZINC000535352713 1036381525 /nfs/dbraw/zinc/38/15/25/1036381525.db2.gz CEMWFCPTUGMILZ-UHFFFAOYSA-N -1 0 345.358 3.902 20 0 EHADRM Cc1nn(C)c(Cl)c1/C=C\c1nc2ccc(C(=O)[O-])cc2s1 ZINC000761485827 1036517826 /nfs/dbraw/zinc/51/78/26/1036517826.db2.gz JFNDXXZXHPPLIM-XQRVVYSFSA-N -1 0 333.800 3.860 20 0 EHADRM CCCCN([C@H](C)CC)S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000321355100 1036601198 /nfs/dbraw/zinc/60/11/98/1036601198.db2.gz YPGUNMNPPLDLFS-CQSZACIVSA-N -1 0 341.473 3.591 20 0 EHADRM Cc1oc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)nc1C1CC1 ZINC000584510851 1036621744 /nfs/dbraw/zinc/62/17/44/1036621744.db2.gz SJRXRQZELDDISP-UHFFFAOYSA-N -1 0 326.805 3.623 20 0 EHADRM C[C@@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1nc2c(s1)CCC2 ZINC000457910315 1036624102 /nfs/dbraw/zinc/62/41/02/1036624102.db2.gz FEGAVMPUSMEIRZ-SSDOTTSWSA-N -1 0 340.807 3.621 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NCc2ccc(Cl)c(Cl)c2)C1 ZINC000659198779 1036629050 /nfs/dbraw/zinc/62/90/50/1036629050.db2.gz NKGRDOKVTLIKFX-MNOVXSKESA-N -1 0 330.211 3.501 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)CCc2ccc(Cl)c(Cl)c2)C1 ZINC000263208848 1036633678 /nfs/dbraw/zinc/63/36/78/1036633678.db2.gz LCROPUMEPSQASP-MRXNPFEDSA-N -1 0 344.238 3.639 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccccc2OC(F)F)c1 ZINC000176675967 1036672193 /nfs/dbraw/zinc/67/21/93/1036672193.db2.gz LWHIJWDPSLSKKX-UHFFFAOYSA-N -1 0 331.315 3.536 20 0 EHADRM O=C(N=c1[n-]nc(-c2cccc(Cl)c2)s1)c1ccc(F)cc1 ZINC000589915648 1036674322 /nfs/dbraw/zinc/67/43/22/1036674322.db2.gz JNHMUCWRMMQYQV-UHFFFAOYSA-N -1 0 333.775 3.672 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)c2cc3ccc(F)cc3s2)s[n-]1 ZINC000589937620 1036687087 /nfs/dbraw/zinc/68/70/87/1036687087.db2.gz VIAARCJBQLTSDM-UHFFFAOYSA-N -1 0 335.429 3.864 20 0 EHADRM Cc1cccc(-c2ccc(CNC(=O)c3cc(C(=O)[O-])co3)cc2)c1 ZINC000541836459 1036704791 /nfs/dbraw/zinc/70/47/91/1036704791.db2.gz MNQAVZNMIPPLPL-UHFFFAOYSA-N -1 0 335.359 3.883 20 0 EHADRM COc1ccc(NC(=O)CCCCC(=O)[O-])cc1Cc1ccccc1 ZINC000263277389 1036741515 /nfs/dbraw/zinc/74/15/15/1036741515.db2.gz JBHQOIMMCSVGPH-UHFFFAOYSA-N -1 0 341.407 3.870 20 0 EHADRM C[C@@H](C1CC1)N(C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C1CC1 ZINC000666280475 1036748637 /nfs/dbraw/zinc/74/86/37/1036748637.db2.gz QCWVOCOEXNHERH-NSHDSACASA-N -1 0 345.830 3.634 20 0 EHADRM C[C@H]1CCC[C@H](CC(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)C1 ZINC000580074493 1036762099 /nfs/dbraw/zinc/76/20/99/1036762099.db2.gz VSXBUPLYTGTZGT-ONIAQPFYSA-N -1 0 329.440 3.530 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc(Br)cc(Cl)c2[O-])[C@@H]1C ZINC000177085446 1036763883 /nfs/dbraw/zinc/76/38/83/1036763883.db2.gz FXTQYTGUZKYWQK-HTQZYQBOSA-N -1 0 332.625 3.679 20 0 EHADRM CC(C)c1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1 ZINC000177090625 1036767158 /nfs/dbraw/zinc/76/71/58/1036767158.db2.gz PPFNJNZIQYHYSD-UHFFFAOYSA-N -1 0 327.409 3.554 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cc3ccccc3o2)cccc1N(C)C ZINC000539470300 1036786745 /nfs/dbraw/zinc/78/67/45/1036786745.db2.gz LRCIZWCPPVBWAT-UHFFFAOYSA-N -1 0 330.409 3.608 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)CC1CC(c2ccccc2)C1 ZINC000263359907 1036819324 /nfs/dbraw/zinc/81/93/24/1036819324.db2.gz SZJZNLIOMMOFGR-VMWRSERWSA-N -1 0 329.440 3.816 20 0 EHADRM Cc1ccc(C(=O)N[C@H](C)[C@@H](C)C(=O)[O-])c(Sc2ccccc2)c1 ZINC000263413411 1036880265 /nfs/dbraw/zinc/88/02/65/1036880265.db2.gz HJXXXGVMZKPPHR-ZIAGYGMSSA-N -1 0 343.448 3.985 20 0 EHADRM C[C@H](C(=O)N(CCC(=O)[O-])C1CC1)c1c(Cl)cccc1Cl ZINC000666362021 1036920494 /nfs/dbraw/zinc/92/04/94/1036920494.db2.gz AHXARYAQFDWOTI-VIFPVBQESA-N -1 0 330.211 3.563 20 0 EHADRM Cc1nc([C@H](C)NC(=O)[C@@H](c2ccccc2)C2CC2)sc1C(=O)[O-] ZINC000263526863 1037041424 /nfs/dbraw/zinc/04/14/24/1037041424.db2.gz KIYBZRJLEACBNP-FZMZJTMJSA-N -1 0 344.436 3.521 20 0 EHADRM Cc1ccc(S[C@H](C)C(=O)NCCc2cccc(C(=O)[O-])c2)cc1 ZINC000539675752 1037055168 /nfs/dbraw/zinc/05/51/68/1037055168.db2.gz ZNADUDCSHLTAKA-CQSZACIVSA-N -1 0 343.448 3.533 20 0 EHADRM COCc1nc(=NC(c2ccccc2C)c2ccccc2C)s[n-]1 ZINC000546887211 1037068761 /nfs/dbraw/zinc/06/87/61/1037068761.db2.gz GZSMEJUPRFOQLN-UHFFFAOYSA-N -1 0 339.464 3.925 20 0 EHADRM C[C@H](CCC(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1ccccc1 ZINC000178656035 1037071656 /nfs/dbraw/zinc/07/16/56/1037071656.db2.gz ZUFZGYWFMNLYJU-CYBMUJFWSA-N -1 0 337.379 3.552 20 0 EHADRM Fc1cccc(Cc2n[n-]c(=NCc3c(F)cccc3F)s2)c1 ZINC000539692738 1037082888 /nfs/dbraw/zinc/08/28/88/1037082888.db2.gz VFYYRNPGIFDCBI-UHFFFAOYSA-N -1 0 335.354 3.580 20 0 EHADRM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)C=C(C)c2ccccc2)c1 ZINC000054427632 1037094323 /nfs/dbraw/zinc/09/43/23/1037094323.db2.gz CRQXYRYURTVKTN-ACCUITESSA-N -1 0 343.404 3.638 20 0 EHADRM Cc1n[n-]c(=NCc2cc(C)c(OCc3cccc(C)c3)c(C)c2)o1 ZINC000539709170 1037096954 /nfs/dbraw/zinc/09/69/54/1037096954.db2.gz WHAHJGGCVRXTNF-UHFFFAOYSA-N -1 0 337.423 3.916 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC000262069439 1037111787 /nfs/dbraw/zinc/11/17/87/1037111787.db2.gz ILVZGXNROVQMBO-OTWHNJEPSA-N -1 0 337.419 3.739 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1ccc2oc(=O)nc-2[n-]1)c1ccc(F)cc1 ZINC000666512356 1037162773 /nfs/dbraw/zinc/16/27/73/1037162773.db2.gz ADILLBZQAGNRCH-AWEZNQCLSA-N -1 0 343.358 3.585 20 0 EHADRM CCc1ccc(/C=C(/C(=O)C(=O)[O-])c2ccc3ccccc3n2)cc1 ZINC000057826055 1037197311 /nfs/dbraw/zinc/19/73/11/1037197311.db2.gz QXPZIFVXZOTNHC-GHRIWEEISA-N -1 0 331.371 3.992 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)N2CCCCC[C@H]2c2ccco2)c1 ZINC000666561755 1037212794 /nfs/dbraw/zinc/21/27/94/1037212794.db2.gz DGCNGBHWDCNSCV-INIZCTEOSA-N -1 0 342.395 3.805 20 0 EHADRM CCCN(Cc1ccc(C)cc1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000666566253 1037213750 /nfs/dbraw/zinc/21/37/50/1037213750.db2.gz KSDARKPARQOVFR-UHFFFAOYSA-N -1 0 340.423 3.815 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC000666566154 1037214476 /nfs/dbraw/zinc/21/44/76/1037214476.db2.gz HXHOEGMHFJZCGJ-GOSISDBHSA-N -1 0 338.407 3.740 20 0 EHADRM O=S(=O)([N-]c1cnoc1C1CC1)c1c(Cl)cccc1Cl ZINC000414388212 1037224301 /nfs/dbraw/zinc/22/43/01/1037224301.db2.gz YGJGDOUDAWABFZ-UHFFFAOYSA-N -1 0 333.196 3.660 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC(Cc2cccc(F)c2)CC1 ZINC000659120285 1037310519 /nfs/dbraw/zinc/31/05/19/1037310519.db2.gz PCEWAHLKSTYVPF-UHFFFAOYSA-N -1 0 345.370 3.520 20 0 EHADRM CCSc1cccc([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000505318884 1037350441 /nfs/dbraw/zinc/35/04/41/1037350441.db2.gz WMLUNZZBKHEVMO-UHFFFAOYSA-N -1 0 329.393 3.878 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(-c2ccc(NC(=O)C(C)(C)C)nc2)c1 ZINC000519781711 1037351720 /nfs/dbraw/zinc/35/17/20/1037351720.db2.gz UMICLFNLIWPPIR-LBPRGKRZSA-N -1 0 326.396 3.921 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)Cc2ccc(C3CCCCC3)cc2)CC1 ZINC000659142776 1037363941 /nfs/dbraw/zinc/36/39/41/1037363941.db2.gz QBKFKEBLTOQUEL-UHFFFAOYSA-N -1 0 343.467 3.990 20 0 EHADRM O=C(Nc1ccccc1NCC(F)(F)F)c1cc(F)c([O-])c(F)c1 ZINC000177101634 1037378040 /nfs/dbraw/zinc/37/80/40/1037378040.db2.gz HTBARGSQGOKNML-UHFFFAOYSA-N -1 0 346.255 3.897 20 0 EHADRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ncccc1-c1ccccc1 ZINC000539947937 1037384577 /nfs/dbraw/zinc/38/45/77/1037384577.db2.gz IFCWTGQWZSCTIR-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM CC[C@H](Cc1ccc(F)cc1)NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000659166055 1037398830 /nfs/dbraw/zinc/39/88/30/1037398830.db2.gz DHNXHEOAXSWENH-VMBOVVBDSA-N -1 0 335.419 3.544 20 0 EHADRM COc1ccc(CN=c2[n-]nc(-c3ccc(C)cc3C)o2)cc1F ZINC000573261268 1037435304 /nfs/dbraw/zinc/43/53/04/1037435304.db2.gz ORATXPGIAGRTJV-UHFFFAOYSA-N -1 0 327.359 3.535 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)C[C@@H](C)c2ccccc2F)n1 ZINC000659186097 1037437466 /nfs/dbraw/zinc/43/74/66/1037437466.db2.gz FXWWGFJTKYMEBR-DOMZBBRYSA-N -1 0 347.390 3.580 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)C[C@@H](C)c2cccc(F)c2)n1 ZINC000659186093 1037437539 /nfs/dbraw/zinc/43/75/39/1037437539.db2.gz FWXRUKPWMGJAAY-DOMZBBRYSA-N -1 0 347.390 3.580 20 0 EHADRM CCn1cc(C(=O)[N-]S(=O)(=O)C2CCCCC2)c2ccccc21 ZINC000058070926 1037449015 /nfs/dbraw/zinc/44/90/15/1037449015.db2.gz NACJEOVYTLNZJP-UHFFFAOYSA-N -1 0 334.441 3.628 20 0 EHADRM C[C@H]1CCc2c(C(=O)[N-]S(=O)(=O)C3CCCCC3)csc2C1 ZINC000058070031 1037449353 /nfs/dbraw/zinc/44/93/53/1037449353.db2.gz IKYMUMCXGMQPTM-NSHDSACASA-N -1 0 341.498 3.840 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000659191577 1037459592 /nfs/dbraw/zinc/45/95/92/1037459592.db2.gz LXOYLDASXCSUOU-DZKIICNBSA-N -1 0 333.428 3.817 20 0 EHADRM CC[C@@H](CC(=O)NCc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000659226105 1037520450 /nfs/dbraw/zinc/52/04/50/1037520450.db2.gz UQIOSMYXDPYZJI-ZDUSSCGKSA-N -1 0 329.371 3.724 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000659234338 1037548637 /nfs/dbraw/zinc/54/86/37/1037548637.db2.gz RHMTYLQWDTXXGQ-NQIIRXRSSA-N -1 0 337.419 3.656 20 0 EHADRM O=S(=O)([N-]c1cccnc1OCc1ccccc1)c1cccs1 ZINC000591682510 1037556684 /nfs/dbraw/zinc/55/66/84/1037556684.db2.gz BZVOYUGLLNWQEV-UHFFFAOYSA-N -1 0 346.433 3.523 20 0 EHADRM CC(C)Oc1ccc(Cl)c(-c2nc3cccc(F)c3c(=O)[n-]2)n1 ZINC000591727057 1037568536 /nfs/dbraw/zinc/56/85/36/1037568536.db2.gz VDFNQNDVBKUODJ-UHFFFAOYSA-N -1 0 333.750 3.977 20 0 EHADRM Cc1cccc(CN(C)C(=O)N=c2[n-]nc(-c3ccccc3)s2)c1 ZINC000547504271 1037606438 /nfs/dbraw/zinc/60/64/38/1037606438.db2.gz BGCLFYGXCRJBRY-UHFFFAOYSA-N -1 0 338.436 3.599 20 0 EHADRM CCCC[C@H]1CCC[C@H]1NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000172760431 1037635069 /nfs/dbraw/zinc/63/50/69/1037635069.db2.gz YKBORLGWYFRUEK-DOTOQJQBSA-N -1 0 341.455 3.563 20 0 EHADRM CC[C@H]1CCN(C(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000153166551 1037651284 /nfs/dbraw/zinc/65/12/84/1037651284.db2.gz IKSZUGOJJTXITH-QMMMGPOBSA-N -1 0 332.625 3.680 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@@H](c2ccccc2)C(C)(C)C)s1 ZINC000509663630 1037738043 /nfs/dbraw/zinc/73/80/43/1037738043.db2.gz KQINHXQZNREUHT-AWEZNQCLSA-N -1 0 332.473 3.821 20 0 EHADRM CO[C@@H](C)c1nc(=NCCc2cccc(Cl)c2Cl)s[n-]1 ZINC000509664299 1037746712 /nfs/dbraw/zinc/74/67/12/1037746712.db2.gz IUWJNNSECRGUNV-QMMMGPOBSA-N -1 0 332.256 3.629 20 0 EHADRM C[C@@H](CN=c1nc(-c2ccccc2)[n-]s1)Oc1cccc(F)c1 ZINC000463079131 1037748289 /nfs/dbraw/zinc/74/82/89/1037748289.db2.gz WPGHLNOZOGXYAE-LBPRGKRZSA-N -1 0 329.400 3.646 20 0 EHADRM CCC1(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)CCC(F)(F)CC1 ZINC000659144254 1037898681 /nfs/dbraw/zinc/89/86/81/1037898681.db2.gz DDJHTYICJCYFKE-ZDUSSCGKSA-N -1 0 331.403 3.696 20 0 EHADRM CCOc1ccc(NC(=O)c2cccc(Br)c2[O-])cc1 ZINC000592447700 1037982835 /nfs/dbraw/zinc/98/28/35/1037982835.db2.gz DSNQUOUNUOEAPQ-UHFFFAOYSA-N -1 0 336.185 3.806 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N[C@@H]2CCc3ccc(F)cc32)s1 ZINC000592546539 1038033751 /nfs/dbraw/zinc/03/37/51/1038033751.db2.gz NYQPKWCAXZSLGL-CQSZACIVSA-N -1 0 348.447 3.641 20 0 EHADRM Cc1nc(-c2ccc([N-]S(=O)(=O)c3cccc(C)c3F)cc2)co1 ZINC000313223714 1038174280 /nfs/dbraw/zinc/17/42/80/1038174280.db2.gz ZEUGNCSGOLKQSD-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCC2(CC2)C1 ZINC000659146624 1038226765 /nfs/dbraw/zinc/22/67/65/1038226765.db2.gz ODBMHZUPEGMXFY-DLBZAZTESA-N -1 0 329.440 3.549 20 0 EHADRM C[C@@H]1CC[C@@H](C)N(C(=O)c2cc(F)cc(Br)c2[O-])C1 ZINC000416171289 1038259263 /nfs/dbraw/zinc/25/92/63/1038259263.db2.gz PENIBVQOSSLXNQ-RKDXNWHRSA-N -1 0 330.197 3.554 20 0 EHADRM Cc1nn(C)c2cc([N-]S(=O)(=O)c3cccc(C)c3Cl)ccc12 ZINC000461346183 1038342214 /nfs/dbraw/zinc/34/22/14/1038342214.db2.gz VZUPLEKENJUEDX-UHFFFAOYSA-N -1 0 349.843 3.644 20 0 EHADRM O=C(CCCc1ccc2ccccc2c1)[N-]S(=O)(=O)C1CCCC1 ZINC000181186621 1038355915 /nfs/dbraw/zinc/35/59/15/1038355915.db2.gz OWBXGTCKXLKCEG-UHFFFAOYSA-N -1 0 345.464 3.551 20 0 EHADRM COCc1ccc(CN=c2[n-]nc(C[C@H](C)CC(C)(C)C)o2)cc1 ZINC000538592529 1038421558 /nfs/dbraw/zinc/42/15/58/1038421558.db2.gz FKAZXURBQJOKIH-AWEZNQCLSA-N -1 0 331.460 3.865 20 0 EHADRM C[C@@H]1[C@@H](C(=O)Nc2cc(Cl)cc(Br)c2[O-])C1(F)F ZINC000461446860 1038429786 /nfs/dbraw/zinc/42/97/86/1038429786.db2.gz JYGFPZVIMNZTQI-VHWMUFPASA-N -1 0 340.551 3.648 20 0 EHADRM Clc1ccc(-c2nc(CN=c3[n-]nc(C4CC4)o3)cs2)cc1 ZINC000538608456 1038432902 /nfs/dbraw/zinc/43/29/02/1038432902.db2.gz ONSWYZXGGWPGNN-UHFFFAOYSA-N -1 0 332.816 3.758 20 0 EHADRM CCCc1nc(=NCc2ccc(Oc3ccccc3)nc2)s[n-]1 ZINC000461789767 1038610921 /nfs/dbraw/zinc/61/09/21/1038610921.db2.gz VTUQQDGZZNUXGK-UHFFFAOYSA-N -1 0 326.425 3.712 20 0 EHADRM Cc1nc2sc(-c3ccccc3)cc2c(N2CC[C@H](C(=O)[O-])C2)n1 ZINC000416393331 1038624857 /nfs/dbraw/zinc/62/48/57/1038624857.db2.gz UOGZTUQFJGHGQY-ZDUSSCGKSA-N -1 0 339.420 3.578 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@@H]3CCC[C@H](c4ccccc4)C3)(CC1)C2 ZINC000910240617 1038784415 /nfs/dbraw/zinc/78/44/15/1038784415.db2.gz BTKZBXHRXKSPRJ-ZGDXVETISA-N -1 0 341.451 3.864 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cccc(C3CCC3)c2)[C@H]2CCC[C@@H]21 ZINC000910243473 1038785305 /nfs/dbraw/zinc/78/53/05/1038785305.db2.gz XTHCOHFQWSKWFB-KURKYZTESA-N -1 0 327.424 3.670 20 0 EHADRM Cc1nc(C(F)(F)F)c(CN[C@H](C(=O)[O-])c2ccccc2F)s1 ZINC000905378324 1038852359 /nfs/dbraw/zinc/85/23/59/1038852359.db2.gz KBMKIYBTTBLULX-NSHDSACASA-N -1 0 348.321 3.525 20 0 EHADRM CCC(CC)n1ccc(CN[C@H](C(=O)[O-])c2cccc(C)c2C)n1 ZINC000905400325 1038857809 /nfs/dbraw/zinc/85/78/09/1038857809.db2.gz LQTAHHAOHFJINL-SFHVURJKSA-N -1 0 329.444 3.777 20 0 EHADRM O=C([O-])C1(CNC(=O)c2ccccc2Sc2ccccc2)CCC1 ZINC000554073611 1038860281 /nfs/dbraw/zinc/86/02/81/1038860281.db2.gz PJGYUXIXZPXUJY-UHFFFAOYSA-N -1 0 341.432 3.823 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N1CCC[C@@]1(C)c1ccc(C(F)(F)F)cc1 ZINC000910350437 1038874058 /nfs/dbraw/zinc/87/40/58/1038874058.db2.gz VEVNAMXSVSSPNX-BZNIZROVSA-N -1 0 343.345 3.654 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N1CCC[C@]1(C)c1ccc(C(F)(F)F)cc1 ZINC000910350438 1038875070 /nfs/dbraw/zinc/87/50/70/1038875070.db2.gz VEVNAMXSVSSPNX-MEDUHNTESA-N -1 0 343.345 3.654 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2cc(C)n([C@H](C)CC)n2)cc1 ZINC000539400095 1038890531 /nfs/dbraw/zinc/89/05/31/1038890531.db2.gz WRWOOFJFSWMQOS-CYBMUJFWSA-N -1 0 335.473 3.916 20 0 EHADRM CC(C)c1nnc(NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])o1 ZINC000910422544 1038904738 /nfs/dbraw/zinc/90/47/38/1038904738.db2.gz PHWVSUFZIPYBDK-MRXNPFEDSA-N -1 0 339.395 3.702 20 0 EHADRM CC(C)C[C@H](NC(=O)c1ccc(NCc2ccsc2)cc1)C(=O)[O-] ZINC000910462842 1038920172 /nfs/dbraw/zinc/92/01/72/1038920172.db2.gz DEQCEYALBQRBQI-INIZCTEOSA-N -1 0 346.452 3.589 20 0 EHADRM C[C@@H](Nc1ccnc(C(F)(F)F)c1)c1ccc(OCC(=O)[O-])cc1 ZINC000910465903 1038925717 /nfs/dbraw/zinc/92/57/17/1038925717.db2.gz GBJFNKGYINKFRM-SNVBAGLBSA-N -1 0 340.301 3.737 20 0 EHADRM O=C([O-])C1(C(F)(F)F)CCN(c2ccnc3ccsc32)CC1 ZINC000910471413 1038928498 /nfs/dbraw/zinc/92/84/98/1038928498.db2.gz MTLJDJFWZCEZCV-UHFFFAOYSA-N -1 0 330.331 3.530 20 0 EHADRM O=C([O-])CC1(CC(=O)N2C[C@@H]3CC[C@H]2c2ccccc23)CCCC1 ZINC000910519393 1038942279 /nfs/dbraw/zinc/94/22/79/1038942279.db2.gz KVQHPXICMDRYIV-YOEHRIQHSA-N -1 0 327.424 3.873 20 0 EHADRM CC(C)(C)SCCCC(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC000910501448 1038949292 /nfs/dbraw/zinc/94/92/92/1038949292.db2.gz SRKOHTCLURUEQK-UHFFFAOYSA-N -1 0 335.469 3.581 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN(C(=O)CC[C@@H]1CCc3ccccc31)C2 ZINC000910501248 1038949396 /nfs/dbraw/zinc/94/93/96/1038949396.db2.gz FZQRTVSZYSKLLH-INIZCTEOSA-N -1 0 349.430 3.780 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)C1CCCC1 ZINC000910567737 1038969517 /nfs/dbraw/zinc/96/95/17/1038969517.db2.gz MHXLGCWDSKXSPV-AGIUHOORSA-N -1 0 335.366 3.505 20 0 EHADRM CCOCCC1(CN=c2[n-]nc(-c3ccccc3Cl)s2)CC1 ZINC000545467422 1038975727 /nfs/dbraw/zinc/97/57/27/1038975727.db2.gz WYJQVDODYLCCAC-UHFFFAOYSA-N -1 0 337.876 3.899 20 0 EHADRM CCCCCC[C@H](CC)C(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC000910618495 1038990593 /nfs/dbraw/zinc/99/05/93/1038990593.db2.gz PPIWNZBSHMONBE-QCTRZYONSA-N -1 0 339.476 3.512 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2ncc(CC(=O)[O-])s2)cc1Cl ZINC000910668151 1039010942 /nfs/dbraw/zinc/01/09/42/1039010942.db2.gz IQSCRVKHBJYQTC-UHFFFAOYSA-N -1 0 338.816 3.799 20 0 EHADRM COc1cccc(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)c1C ZINC000910705053 1039027513 /nfs/dbraw/zinc/02/75/13/1039027513.db2.gz AMYLYRBFRNVAET-UHFFFAOYSA-N -1 0 334.397 3.534 20 0 EHADRM O=C([O-])c1ccc(CN[C@@H](CC(F)(F)F)c2ccc(F)cc2)nc1 ZINC000905725736 1039060685 /nfs/dbraw/zinc/06/06/85/1039060685.db2.gz XDTXEBQRAUHEOJ-AWEZNQCLSA-N -1 0 342.292 3.702 20 0 EHADRM Cc1ccccc1C1(C(=O)NC2CC(CC(=O)[O-])C2)CCCCC1 ZINC000910810428 1039087775 /nfs/dbraw/zinc/08/77/75/1039087775.db2.gz UPQQOUXQRSRXNG-UHFFFAOYSA-N -1 0 329.440 3.566 20 0 EHADRM C[C@H](C1CCCCC1)N(C)C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000552253343 1039132407 /nfs/dbraw/zinc/13/24/07/1039132407.db2.gz ZGPZBIBVEBTELL-CYBMUJFWSA-N -1 0 345.418 3.758 20 0 EHADRM CCOC(=O)c1coc(=N[C@H](C)c2cc(Cl)ccc2Cl)[n-]1 ZINC000418941724 1039149565 /nfs/dbraw/zinc/14/95/65/1039149565.db2.gz VWUVGJYTVYVAAL-MRVPVSSYSA-N -1 0 329.183 3.753 20 0 EHADRM CSc1ccc(NC(=O)CCO[C@@H](C)CC(C)C)cc1C(=O)[O-] ZINC000910950303 1039152619 /nfs/dbraw/zinc/15/26/19/1039152619.db2.gz WCDKVSXOGNTIEH-LBPRGKRZSA-N -1 0 339.457 3.887 20 0 EHADRM CC[C@H](C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)C1CCC(C)CC1 ZINC000552280051 1039153682 /nfs/dbraw/zinc/15/36/82/1039153682.db2.gz QGLYOHKHOGNHIN-ZUEPYMLJSA-N -1 0 342.443 3.968 20 0 EHADRM CC1(C(=O)N2CCC(c3c[nH]c4ccc(C(=O)[O-])cc43)CC2)CCC1 ZINC000910956846 1039158360 /nfs/dbraw/zinc/15/83/60/1039158360.db2.gz GWCPOJLTPMNAJE-UHFFFAOYSA-N -1 0 340.423 3.762 20 0 EHADRM CSc1ccc(NC(=O)c2oc(CC(C)C)nc2C)cc1C(=O)[O-] ZINC000910948387 1039169119 /nfs/dbraw/zinc/16/91/19/1039169119.db2.gz ZXBMJYANWWDAIM-UHFFFAOYSA-N -1 0 348.424 3.854 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2ccc(Oc3ccccc3)cc2)cn1 ZINC000910983333 1039179731 /nfs/dbraw/zinc/17/97/31/1039179731.db2.gz HQFHSTMVWXJKGF-UHFFFAOYSA-N -1 0 348.358 3.502 20 0 EHADRM CC1(C)CCCC[C@@H]1CC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)CC1 ZINC000911021353 1039188504 /nfs/dbraw/zinc/18/85/04/1039188504.db2.gz MWXRWWWQPOWECH-GFCCVEGCSA-N -1 0 349.393 3.849 20 0 EHADRM O=C([O-])c1cnc([C@@H]2CCN(C(=O)C3CCCCCCC3)C2)s1 ZINC000911034757 1039206533 /nfs/dbraw/zinc/20/65/33/1039206533.db2.gz BUHAERKFYCZCPA-CYBMUJFWSA-N -1 0 336.457 3.518 20 0 EHADRM O=C([N-]Cc1ccc(OCc2ccccc2F)cc1)C(F)(F)F ZINC000185790039 1039215027 /nfs/dbraw/zinc/21/50/27/1039215027.db2.gz PIRDBDMZTRNXBR-UHFFFAOYSA-N -1 0 327.277 3.583 20 0 EHADRM CCNc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1CCc2cc(F)ccc21 ZINC000911084148 1039217199 /nfs/dbraw/zinc/21/71/99/1039217199.db2.gz FXNFYOMCROFQTA-HNNXBMFYSA-N -1 0 342.370 3.624 20 0 EHADRM Cc1cc(C(=O)N2C[C@H](c3ccccc3)CC2(C)C)oc1C(=O)[O-] ZINC000911063572 1039221854 /nfs/dbraw/zinc/22/18/54/1039221854.db2.gz ZMOUEZNCZCOODJ-CQSZACIVSA-N -1 0 327.380 3.695 20 0 EHADRM CC(C)(C)CC(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000236589046 1039223777 /nfs/dbraw/zinc/22/37/77/1039223777.db2.gz YLQKLUNCNXUOBB-GFCCVEGCSA-N -1 0 342.233 3.517 20 0 EHADRM CC(C)Cc1ccccc1-c1noc(-c2cc(=O)[nH]c(C3CC3)n2)n1 ZINC000906128231 1039298802 /nfs/dbraw/zinc/29/88/02/1039298802.db2.gz IZYJVDLVTVSLBW-UHFFFAOYSA-N -1 0 336.395 3.975 20 0 EHADRM Cc1cnc(Br)cc1Nc1cc(F)c(F)c(C(=O)[O-])c1 ZINC001215457730 1039312776 /nfs/dbraw/zinc/31/27/76/1039312776.db2.gz KRBBXARCYCFPFK-UHFFFAOYSA-N -1 0 343.127 3.873 20 0 EHADRM COc1cc(F)c(NC(=O)CC2(CC(=O)[O-])CCCCC2)cc1F ZINC000237298947 1039336243 /nfs/dbraw/zinc/33/62/43/1039336243.db2.gz PASWHFYOPDZICO-UHFFFAOYSA-N -1 0 341.354 3.727 20 0 EHADRM Cc1ncc(C(=O)[O-])cc1C(=O)Nc1cccc(NC2CCCC2)c1 ZINC000911367825 1039341655 /nfs/dbraw/zinc/34/16/55/1039341655.db2.gz WPBFZVNBVJIWJF-UHFFFAOYSA-N -1 0 339.395 3.695 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(NC3CCCC3)c2)oc1C(=O)[O-] ZINC000911367739 1039342251 /nfs/dbraw/zinc/34/22/51/1039342251.db2.gz KTPUXEVPXMYIDM-UHFFFAOYSA-N -1 0 328.368 3.893 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000237397437 1039355442 /nfs/dbraw/zinc/35/54/42/1039355442.db2.gz UUKSPNHXDVLNQU-VHSXEESVSA-N -1 0 332.227 3.542 20 0 EHADRM CC(C)(C)[C@H](NC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000485655778 1039361600 /nfs/dbraw/zinc/36/16/00/1039361600.db2.gz XZDPDTPZVIFART-RWMBFGLXSA-N -1 0 343.345 3.630 20 0 EHADRM CCC(CC)(CNC(=O)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000236892372 1039370321 /nfs/dbraw/zinc/37/03/21/1039370321.db2.gz GKZACQHXPVFEPA-UHFFFAOYSA-N -1 0 325.408 3.974 20 0 EHADRM C/C(=C\C1CCC(C)CC1)C(=O)N(CCC(=O)[O-])Cc1ccncc1 ZINC000911524566 1039404765 /nfs/dbraw/zinc/40/47/65/1039404765.db2.gz HJDVGEQVHABMDP-DTQAZKPQSA-N -1 0 344.455 3.658 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)CCCC1CCCCC1)c1ccncc1 ZINC000911616690 1039437666 /nfs/dbraw/zinc/43/76/66/1039437666.db2.gz HKRCKZSYMGQEGX-IBGZPJMESA-N -1 0 332.444 3.638 20 0 EHADRM Cc1nc(C(C)C)oc1CNC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000615155211 1039451225 /nfs/dbraw/zinc/45/12/25/1039451225.db2.gz BRVOANAMHGSVIH-UHFFFAOYSA-N -1 0 342.317 3.761 20 0 EHADRM C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000911679901 1039455632 /nfs/dbraw/zinc/45/56/32/1039455632.db2.gz UMMRONXHNALWAI-NEPJUHHUSA-N -1 0 335.366 3.601 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)no2)cc1Cl ZINC000426207727 1039466783 /nfs/dbraw/zinc/46/67/83/1039466783.db2.gz XPHHZKDKAKXDJJ-UHFFFAOYSA-N -1 0 328.821 3.735 20 0 EHADRM CC(C)Oc1c(NC(=O)c2ccc(C(C)C)cn2)cccc1C(=O)[O-] ZINC000911734501 1039476498 /nfs/dbraw/zinc/47/64/98/1039476498.db2.gz TWCZBLCAHAGZHK-UHFFFAOYSA-N -1 0 342.395 3.943 20 0 EHADRM CC(C)Oc1c(NC(=O)C[C@@H](C)c2ccco2)cccc1C(=O)[O-] ZINC000911733606 1039490906 /nfs/dbraw/zinc/49/09/06/1039490906.db2.gz FQUSSYSBHRJHGU-GFCCVEGCSA-N -1 0 331.368 3.897 20 0 EHADRM CCC[C@](C)(NC(=O)N[C@@H](C)c1ccc(SCC)cc1)C(=O)[O-] ZINC000554603154 1039512410 /nfs/dbraw/zinc/51/24/10/1039512410.db2.gz JNLZFJKYAALWFW-SJCJKPOMSA-N -1 0 338.473 3.802 20 0 EHADRM C[C@H](CC(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-])c1ccccc1 ZINC000485750544 1039512945 /nfs/dbraw/zinc/51/29/45/1039512945.db2.gz GTYYYPFPRBYVTK-SJORKVTESA-N -1 0 339.435 3.930 20 0 EHADRM CCCCc1n[n-]c(=NCc2ccc(-c3cccc(F)c3F)o2)o1 ZINC000478572338 1039543296 /nfs/dbraw/zinc/54/32/96/1039543296.db2.gz LLPOWCPOYFBIBJ-UHFFFAOYSA-N -1 0 333.338 3.984 20 0 EHADRM c1ccc(CCc2n[n-]c(=NCc3ccc(OCC4CC4)cc3)o2)cc1 ZINC000478581504 1039549430 /nfs/dbraw/zinc/54/94/30/1039549430.db2.gz FXHWQURWNOLOIN-UHFFFAOYSA-N -1 0 349.434 3.678 20 0 EHADRM CCc1ccc(O)c(C(=O)Nc2ccc(C)c(NC(=O)N(C)C)c2)c1 ZINC000478668176 1039619948 /nfs/dbraw/zinc/61/99/48/1039619948.db2.gz TZFRWMVZUUIAMN-UHFFFAOYSA-N -1 0 341.411 3.609 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2ccc3oc(C4CC4)nc3c2)CCC1 ZINC000643341485 1039637179 /nfs/dbraw/zinc/63/71/79/1039637179.db2.gz TZSGXYZJLWVTKN-UHFFFAOYSA-N -1 0 328.368 3.679 20 0 EHADRM O=C(N=c1cccn[n-]1)N[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000478686729 1039638159 /nfs/dbraw/zinc/63/81/59/1039638159.db2.gz KRPWEBNQLGGETR-INIZCTEOSA-N -1 0 330.819 3.605 20 0 EHADRM O=C(CCSc1cccc(Cl)c1)N=c1ccc(C2CC2)n[n-]1 ZINC000554721859 1039645637 /nfs/dbraw/zinc/64/56/37/1039645637.db2.gz SBHVZLCMQHCVMG-UHFFFAOYSA-N -1 0 333.844 3.550 20 0 EHADRM CC(C)[C@@H]1N(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])CC1(C)C ZINC000480518849 1039645902 /nfs/dbraw/zinc/64/59/02/1039645902.db2.gz NQWQSOSZKVUFRI-INIZCTEOSA-N -1 0 347.846 3.738 20 0 EHADRM CC[C@@H](C)c1ncc([N-]S(=O)(=O)c2ccc3ccccc3c2)cn1 ZINC000478712682 1039648964 /nfs/dbraw/zinc/64/89/64/1039648964.db2.gz XPZMCPRTZFWVAZ-CYBMUJFWSA-N -1 0 341.436 3.944 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2cc(C)c(F)cc2F)c(C)cc1C ZINC000478700911 1039657229 /nfs/dbraw/zinc/65/72/29/1039657229.db2.gz HFHJGYOVPYFBIM-UHFFFAOYSA-N -1 0 341.379 3.699 20 0 EHADRM CC(C)(C[N-]S(=O)(=O)c1c(F)cccc1Cl)CC(F)(F)F ZINC000660197489 1039726390 /nfs/dbraw/zinc/72/63/90/1039726390.db2.gz DRWTXTCYIKTRSE-UHFFFAOYSA-N -1 0 347.761 3.736 20 0 EHADRM Cc1cccc(CO[N-]C(=O)[C@@H](c2cccnc2)C2CCCCC2)n1 ZINC000898931145 1039733870 /nfs/dbraw/zinc/73/38/70/1039733870.db2.gz OANXFDDVOLIZQF-LJQANCHMSA-N -1 0 339.439 3.697 20 0 EHADRM COc1cc(C)cc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)c1 ZINC001211732179 1039738065 /nfs/dbraw/zinc/73/80/65/1039738065.db2.gz WBMGEDNQYVKHDJ-UHFFFAOYSA-N -1 0 327.789 3.647 20 0 EHADRM O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1s[n-]c(=O)c1Cl ZINC000549751159 1039779824 /nfs/dbraw/zinc/77/98/24/1039779824.db2.gz SVPMLGBGGZPXRC-UHFFFAOYSA-N -1 0 340.685 3.912 20 0 EHADRM C[C@@H](NCc1ccc(F)cc1C(F)(F)F)c1ncc(C(=O)[O-])s1 ZINC000584781816 1039818610 /nfs/dbraw/zinc/81/86/10/1039818610.db2.gz RSAKYRHWRPVTMX-SSDOTTSWSA-N -1 0 348.321 3.850 20 0 EHADRM O=c1cc(/C=C/c2ccc(-c3ccc(Cl)cc3)cc2)nc2nc[nH]n21 ZINC000486142693 1039917652 /nfs/dbraw/zinc/91/76/52/1039917652.db2.gz BSCVPBGQIAHZMJ-XCVCLJGOSA-N -1 0 348.793 3.908 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1nc(C(C)(C)C)cs1 ZINC000479067510 1039930622 /nfs/dbraw/zinc/93/06/22/1039930622.db2.gz KSFPPWSVWIQIPN-UHFFFAOYSA-N -1 0 328.434 3.689 20 0 EHADRM O=C(N=c1ncn(C2CCCCC2)[n-]1)N[C@@H](c1cccs1)C1CC1 ZINC000554934569 1039951193 /nfs/dbraw/zinc/95/11/93/1039951193.db2.gz VAWICBGOEWQVRD-OAHLLOKOSA-N -1 0 345.472 3.540 20 0 EHADRM CCc1cc(C2CC2)nc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)n1 ZINC000479123746 1039995312 /nfs/dbraw/zinc/99/53/12/1039995312.db2.gz AXMVENDZRUMNFM-UHFFFAOYSA-N -1 0 345.468 3.642 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cn1 ZINC000479142052 1039996886 /nfs/dbraw/zinc/99/68/86/1039996886.db2.gz QBLKLABVLNSADH-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM Cc1cccc([C@H](NCc2ncc(C(F)(F)F)s2)C(=O)[O-])c1C ZINC000417572418 1040007696 /nfs/dbraw/zinc/00/76/96/1040007696.db2.gz YYQBYFAIBQFJPM-ZDUSSCGKSA-N -1 0 344.358 3.694 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NCc1ccc([S@](C)=O)cc1 ZINC000417566523 1040017061 /nfs/dbraw/zinc/01/70/61/1040017061.db2.gz MOVKEMCNXDWPPX-DEOSSOPVSA-N -1 0 347.436 3.522 20 0 EHADRM CC(C)Oc1c(NCc2ccc([S@](C)=O)cc2)cccc1C(=O)[O-] ZINC000417585964 1040034729 /nfs/dbraw/zinc/03/47/29/1040034729.db2.gz MOSBZQUEBIKXHI-DEOSSOPVSA-N -1 0 347.436 3.522 20 0 EHADRM Cc1ncsc1CN[C@]1(C(=O)[O-])C[C@H](C(C)C)c2ccccc21 ZINC000417575579 1040038294 /nfs/dbraw/zinc/03/82/94/1040038294.db2.gz GGAJVVPISBQXCE-RDTXWAMCSA-N -1 0 330.453 3.665 20 0 EHADRM CCO[C@H]1C[C@@H](N=c2[n-]c(C(F)(F)F)ns2)C12CCCCC2 ZINC000553410711 1040050253 /nfs/dbraw/zinc/05/02/53/1040050253.db2.gz NWGUKJCLHVZVIN-ZJUUUORDSA-N -1 0 335.395 3.519 20 0 EHADRM Cc1cccc(CONC(=O)CCOc2ccccc2C(C)C)n1 ZINC000912630901 1040050398 /nfs/dbraw/zinc/05/03/98/1040050398.db2.gz IRQDBTZMQQHJAG-UHFFFAOYSA-N -1 0 328.412 3.530 20 0 EHADRM CC[C@H](Cc1ccc(NCc2cccc3c2OCO3)cc1)C(=O)[O-] ZINC000417605692 1040056899 /nfs/dbraw/zinc/05/68/99/1040056899.db2.gz BWKIFJAOCHWGJL-CQSZACIVSA-N -1 0 327.380 3.681 20 0 EHADRM Clc1ccc(Cc2n[n-]c(=NCC3CCSCC3)s2)cc1 ZINC000489554301 1040070296 /nfs/dbraw/zinc/07/02/96/1040070296.db2.gz VSLRBFYXOBTLDA-UHFFFAOYSA-N -1 0 339.917 3.759 20 0 EHADRM O=C([O-])[C@@H](CCSc1ccccc1)NCc1csc(C2CC2)n1 ZINC000417612524 1040081530 /nfs/dbraw/zinc/08/15/30/1040081530.db2.gz BXYNCEBHAAPTNI-OAHLLOKOSA-N -1 0 348.493 3.746 20 0 EHADRM CC(C)(C)c1cnc(CN[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC000417631882 1040091427 /nfs/dbraw/zinc/09/14/27/1040091427.db2.gz SJFSAAUWHQLYLS-KGLIPLIRSA-N -1 0 330.453 3.843 20 0 EHADRM Cc1ccc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)c2ncccc12 ZINC000907629376 1040111344 /nfs/dbraw/zinc/11/13/44/1040111344.db2.gz QLUYZUSVTPJSSV-AWEZNQCLSA-N -1 0 340.423 3.506 20 0 EHADRM CSc1cccc(N(C)C(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)c1 ZINC000907611785 1040115144 /nfs/dbraw/zinc/11/51/44/1040115144.db2.gz JKXYUKXKQYRYMS-QFBILLFUSA-N -1 0 341.432 3.630 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2ccccc2C2CCC2)n1 ZINC000907704059 1040136779 /nfs/dbraw/zinc/13/67/79/1040136779.db2.gz LVKPDKKKBGKYFS-INIZCTEOSA-N -1 0 341.411 3.829 20 0 EHADRM Cc1cc(F)ccc1[C@@H](C)NC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC000907785461 1040170843 /nfs/dbraw/zinc/17/08/43/1040170843.db2.gz NAXSWPZXRFARMI-DUXSXAKTSA-N -1 0 341.382 3.570 20 0 EHADRM Clc1ccc([C@H]2C[C@H](N=c3[n-]nc(-c4ccon4)s3)C2)cc1 ZINC000553563411 1040180964 /nfs/dbraw/zinc/18/09/64/1040180964.db2.gz GYOVZVSTABOGCO-UMSPYCQHSA-N -1 0 332.816 3.627 20 0 EHADRM C[C@H](N=c1nc(-c2ccccc2)o[n-]1)c1nc(C(F)(F)F)cs1 ZINC000486491816 1040198176 /nfs/dbraw/zinc/19/81/76/1040198176.db2.gz VZVYTZZGPKCIBA-QMMMGPOBSA-N -1 0 340.330 3.807 20 0 EHADRM c1cc(-c2n[n-]c(=N[C@@H]3CCC[C@H](c4ccccc4)C3)s2)no1 ZINC000553580730 1040214632 /nfs/dbraw/zinc/21/46/32/1040214632.db2.gz SIFOVRVLHCSTLP-UONOGXRCSA-N -1 0 326.425 3.753 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)[C@H]3C[C@H]3c3cccc4ccccc43)[C@@H]2C1 ZINC000907941674 1040238785 /nfs/dbraw/zinc/23/87/85/1040238785.db2.gz UBYBUAVNQBHMRR-IXFQNSDBSA-N -1 0 349.430 3.559 20 0 EHADRM C[C@@H](CN=c1[n-]nc(Cc2ccc(Cl)cc2)s1)C(F)(F)F ZINC000489931741 1040242917 /nfs/dbraw/zinc/24/29/17/1040242917.db2.gz QFNQYDYUERZUAI-QMMMGPOBSA-N -1 0 335.782 3.815 20 0 EHADRM C[C@H](C(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@H]12)c1ccc2ccccc2c1 ZINC000907961740 1040247082 /nfs/dbraw/zinc/24/70/82/1040247082.db2.gz WETBLSQKSQRUMH-VFTKVEQISA-N -1 0 337.419 3.559 20 0 EHADRM CC[C@H](CNC(=O)c1ccc([O-])c(Cl)c1)Oc1ccccc1C ZINC000489994075 1040275003 /nfs/dbraw/zinc/27/50/03/1040275003.db2.gz PUHQDGCRAVGTCS-CQSZACIVSA-N -1 0 333.815 3.941 20 0 EHADRM Cc1cc(C(=O)N2CCc3ccc(C(=O)[O-])cc32)c(C)n1C(C)C ZINC000908050603 1040277390 /nfs/dbraw/zinc/27/73/90/1040277390.db2.gz QBTSOHOLQFFSJM-UHFFFAOYSA-N -1 0 326.396 3.587 20 0 EHADRM CC(C)N(Cc1cccs1)C(=O)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000391960149 1040277928 /nfs/dbraw/zinc/27/79/28/1040277928.db2.gz IVLIZZKJNBVKCY-IBGZPJMESA-N -1 0 345.464 3.918 20 0 EHADRM COc1c(C)ccc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1C ZINC000899308938 1040296725 /nfs/dbraw/zinc/29/67/25/1040296725.db2.gz KXOFULDFVRSOLS-CQSZACIVSA-N -1 0 334.416 3.563 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc(C2CC2)oc1C1CC1)C1CCCC1 ZINC000899299309 1040301907 /nfs/dbraw/zinc/30/19/07/1040301907.db2.gz VAHISQORISHNMB-HNNXBMFYSA-N -1 0 331.412 3.798 20 0 EHADRM Cc1nc2cc(NC(=O)N3CCCC[C@@H]3CCC(=O)[O-])ccc2s1 ZINC000899311455 1040310938 /nfs/dbraw/zinc/31/09/38/1040310938.db2.gz MZXPZTYEGSYDMV-CYBMUJFWSA-N -1 0 347.440 3.856 20 0 EHADRM CCCC[C@H](CC)CC(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC000908165187 1040314515 /nfs/dbraw/zinc/31/45/15/1040314515.db2.gz LUZPZTRNQKDVJW-CQDIZWNASA-N -1 0 341.517 3.838 20 0 EHADRM CC[C@H]1c2ccccc2CN1C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000908182046 1040340038 /nfs/dbraw/zinc/34/00/38/1040340038.db2.gz WGRRKJQWYKIWSL-DZIBYMRMSA-N -1 0 327.424 3.905 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@H]1CCOC2(CCCC2)C1 ZINC000908188225 1040342614 /nfs/dbraw/zinc/34/26/14/1040342614.db2.gz RAXYZDIGPSIPFU-JTQLQIEISA-N -1 0 327.783 3.863 20 0 EHADRM CC(C)c1ccc(O[C@H](C)CN=c2[n-]nc(-c3ccon3)s2)cc1 ZINC000553704975 1040343933 /nfs/dbraw/zinc/34/39/33/1040343933.db2.gz LNIAFNRZWMOUHU-GFCCVEGCSA-N -1 0 344.440 3.618 20 0 EHADRM Cc1c(C(=O)[O-])sc2ncnc(N[C@@H](C)CCc3ccco3)c12 ZINC000322008269 1040387763 /nfs/dbraw/zinc/38/77/63/1040387763.db2.gz ONXMRAXNBWATGL-VIFPVBQESA-N -1 0 331.397 3.724 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)CCc2ccc(Cl)s2)CCC1 ZINC000908340635 1040401257 /nfs/dbraw/zinc/40/12/57/1040401257.db2.gz FKMOHZGUAZCPJP-UHFFFAOYSA-N -1 0 343.876 3.876 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)c2c[nH]cc2-c2ccccc2)CCC1 ZINC000908343437 1040404404 /nfs/dbraw/zinc/40/44/04/1040404404.db2.gz XATLLCGNRKAINQ-UHFFFAOYSA-N -1 0 340.423 3.837 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)CCc2ccc(Cl)c(Cl)c2)C1 ZINC000908366908 1040414544 /nfs/dbraw/zinc/41/45/44/1040414544.db2.gz XRGQSBVGSXKIEL-NEPJUHHUSA-N -1 0 344.238 3.686 20 0 EHADRM CC[C@@H](CC(C)C)C(=O)Nc1ccc(-n2[n-]c(C3CC3)cc2=O)nc1 ZINC000912863681 1040417192 /nfs/dbraw/zinc/41/71/92/1040417192.db2.gz CEWDJSNQOVVHFX-ZDUSSCGKSA-N -1 0 342.443 3.595 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)c(F)c1 ZINC000479610369 1040429548 /nfs/dbraw/zinc/42/95/48/1040429548.db2.gz DTAAEPTXUMUSQI-UHFFFAOYSA-N -1 0 349.305 3.654 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2C[C@H](c3ccc(C)cc3)C[C@@H]2C)s1 ZINC000486792867 1040453234 /nfs/dbraw/zinc/45/32/34/1040453234.db2.gz VEEHTXQUDYBBCZ-DZGCQCFKSA-N -1 0 344.484 3.631 20 0 EHADRM COc1c(NC(=O)CCc2cc(C)cc(C)c2)cccc1C(=O)[O-] ZINC000908500520 1040484829 /nfs/dbraw/zinc/48/48/29/1040484829.db2.gz HVPDHLFNCYFEEI-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM Cc1ccc2[nH]c(NC(=O)c3ccc(Br)c([O-])c3)nc2c1 ZINC000553814289 1040490731 /nfs/dbraw/zinc/49/07/31/1040490731.db2.gz VIEYWOXVSXFZSH-UHFFFAOYSA-N -1 0 346.184 3.592 20 0 EHADRM CCC[C@]1(C(=O)[O-])CCCN1C(=O)Nc1cccc([C@H](C)OC)c1 ZINC000908620076 1040548599 /nfs/dbraw/zinc/54/85/99/1040548599.db2.gz DCJQIHRZFVXTIB-SCLBCKFNSA-N -1 0 334.416 3.645 20 0 EHADRM CSCCc1ccc(NC(=O)N[C@H](CC=C(C)C)C(=O)[O-])cc1 ZINC000908619329 1040549432 /nfs/dbraw/zinc/54/94/32/1040549432.db2.gz APMFRIBYUFRTNC-OAHLLOKOSA-N -1 0 336.457 3.523 20 0 EHADRM CC(C)Cn1ccc2c1cccc2C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000908681284 1040570971 /nfs/dbraw/zinc/57/09/71/1040570971.db2.gz JDVQDUISXFOBCO-UHFFFAOYSA-N -1 0 342.439 3.624 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N(C(C)C)C2CCC2)n1 ZINC000669064439 1040579620 /nfs/dbraw/zinc/57/96/20/1040579620.db2.gz CGNDKTZYIWGALT-UHFFFAOYSA-N -1 0 327.428 3.543 20 0 EHADRM CC[C@H](CNC(=O)c1ccccc1CCC(=O)[O-])c1ccccc1 ZINC000908704818 1040601392 /nfs/dbraw/zinc/60/13/92/1040601392.db2.gz MIKXPEHOLBBTER-OAHLLOKOSA-N -1 0 325.408 3.627 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@@H]3CC[C@H]4CCCC[C@H]4C3)(CC1)CC2 ZINC000908707166 1040601716 /nfs/dbraw/zinc/60/17/16/1040601716.db2.gz PXRLDWQJDUYJBF-GRGWGWTOSA-N -1 0 333.472 3.887 20 0 EHADRM FC(F)(F)Oc1ccccc1CN=c1[n-]nc(Cc2ccccc2)o1 ZINC000479768406 1040606031 /nfs/dbraw/zinc/60/60/31/1040606031.db2.gz SIGSRRXIHVYUAF-UHFFFAOYSA-N -1 0 349.312 3.593 20 0 EHADRM FC(F)(F)c1ccc(CN=c2[n-]nc(Cc3ccccc3)o2)s1 ZINC000479770230 1040607625 /nfs/dbraw/zinc/60/76/25/1040607625.db2.gz VGCQNEFPZISLSF-UHFFFAOYSA-N -1 0 339.342 3.775 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC000908771679 1040643818 /nfs/dbraw/zinc/64/38/18/1040643818.db2.gz HXRBEWWINYVGNG-XYJCDUHRSA-N -1 0 331.412 3.758 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000908788941 1040649082 /nfs/dbraw/zinc/64/90/82/1040649082.db2.gz NLQFRPCCIGXKHL-FZMZJTMJSA-N -1 0 346.452 3.715 20 0 EHADRM C[C@@H](c1ccc(C(=O)N(CCC(=O)[O-])CC2CC2)cc1)C(F)(F)F ZINC000908875796 1040699418 /nfs/dbraw/zinc/69/94/18/1040699418.db2.gz IMTYWCBRGZCFSL-NSHDSACASA-N -1 0 343.345 3.679 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1ccc(F)c2ccccc12 ZINC000909031666 1040756770 /nfs/dbraw/zinc/75/67/70/1040756770.db2.gz CVLQWYKAYCDUAX-LJQANCHMSA-N -1 0 349.361 3.803 20 0 EHADRM CC[C@H](C(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)ccc1C)c1ccccc1 ZINC000555533601 1040759334 /nfs/dbraw/zinc/75/93/34/1040759334.db2.gz IMRTUOJWEQLXDT-HNNXBMFYSA-N -1 0 336.395 3.618 20 0 EHADRM Cc1ccccc1[C@H](C)C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000909159525 1040834462 /nfs/dbraw/zinc/83/44/62/1040834462.db2.gz MNRNGWKGVCWLII-AWEZNQCLSA-N -1 0 327.380 3.509 20 0 EHADRM CC(C)OCc1cccc(-c2cccc3c2NC(=O)[C@H]3CC(=O)[O-])c1 ZINC000899633888 1040884225 /nfs/dbraw/zinc/88/42/25/1040884225.db2.gz NLYKSFWPBANYDO-KRWDZBQOSA-N -1 0 339.391 3.789 20 0 EHADRM O=C([O-])Cc1ccc(-c2cccc(CO[C@@H]3CCOC3)c2)c(Cl)c1 ZINC000899633436 1040884435 /nfs/dbraw/zinc/88/44/35/1040884435.db2.gz YCDGZKAQKRKNSU-MRXNPFEDSA-N -1 0 346.810 3.940 20 0 EHADRM COc1ccc(CCC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000390531420 1040893969 /nfs/dbraw/zinc/89/39/69/1040893969.db2.gz DTSPZLJRYYPBMD-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM CC(C)(O)C1CCC(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CC1 ZINC000909271499 1040894276 /nfs/dbraw/zinc/89/42/76/1040894276.db2.gz HQOZMXHZNMJURK-UHFFFAOYSA-N -1 0 339.819 3.554 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)C[C@H](C)c1c[nH]c2ccccc21 ZINC000909683077 1040929281 /nfs/dbraw/zinc/92/92/81/1040929281.db2.gz KTGFXVCWLXNXKR-DJJJIMSYSA-N -1 0 330.428 3.667 20 0 EHADRM CCC(CC)n1ccc(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)n1 ZINC000909834776 1041032557 /nfs/dbraw/zinc/03/25/57/1041032557.db2.gz AZLHDDAXQFZILL-GFCCVEGCSA-N -1 0 329.400 3.685 20 0 EHADRM O=C([O-])CC1(NC(=O)c2ccc3ccc(Cl)cc3n2)CCCCC1 ZINC000555724963 1041047750 /nfs/dbraw/zinc/04/77/50/1041047750.db2.gz CYGWUTOZJDZQJS-UHFFFAOYSA-N -1 0 346.814 3.796 20 0 EHADRM CC(C)[C@H](C)N(C)C(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1 ZINC000481566622 1041064822 /nfs/dbraw/zinc/06/48/22/1041064822.db2.gz RLZPTZDLCMADSH-JTQLQIEISA-N -1 0 338.864 3.789 20 0 EHADRM C[C@H](C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-])c1ccc(Cl)cc1 ZINC000652059308 1041068262 /nfs/dbraw/zinc/06/82/62/1041068262.db2.gz IOQNPUNPCAKCMW-XJKSGUPXSA-N -1 0 345.826 3.503 20 0 EHADRM CC(C)(CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21)CC(F)(F)F ZINC000909962548 1041082362 /nfs/dbraw/zinc/08/23/62/1041082362.db2.gz OXSNGWNPSZMRBH-AGIUHOORSA-N -1 0 349.393 3.847 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000899763614 1041091820 /nfs/dbraw/zinc/09/18/20/1041091820.db2.gz FQGSKTBHUJBSKI-YPMHNXCESA-N -1 0 343.370 3.602 20 0 EHADRM Cc1ccc(-c2ccncc2)cc1NC(=O)[C@H]1C[C@@]1(C(=O)[O-])C(C)C ZINC000899767438 1041097946 /nfs/dbraw/zinc/09/79/46/1041097946.db2.gz RHCZGHCEHPXMOP-OXQOHEQNSA-N -1 0 338.407 3.742 20 0 EHADRM Cc1ccc(NC(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)cc1 ZINC000555759982 1041100730 /nfs/dbraw/zinc/10/07/30/1041100730.db2.gz BCEZSGTWRGLAOO-UHFFFAOYSA-N -1 0 332.787 3.767 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(F)cc1OC(C)C ZINC000899776387 1041115240 /nfs/dbraw/zinc/11/52/40/1041115240.db2.gz VQQBXHLBPSFOQG-LBPRGKRZSA-N -1 0 325.380 3.688 20 0 EHADRM CC(C)Cc1ccc(CCCC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000909988516 1041121006 /nfs/dbraw/zinc/12/10/06/1041121006.db2.gz NUEDPUPTFZFRHC-APWZRJJASA-N -1 0 345.483 3.777 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])C[C@H]1C(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000899785184 1041121682 /nfs/dbraw/zinc/12/16/82/1041121682.db2.gz FIHWJMFLFXCTLY-QFBILLFUSA-N -1 0 340.379 3.559 20 0 EHADRM CC(C)c1ccccc1NC(=O)N(C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000555771631 1041124884 /nfs/dbraw/zinc/12/48/84/1041124884.db2.gz MTAFYVOLYMQXGX-GOSISDBHSA-N -1 0 340.423 3.970 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(C)C(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-] ZINC000899798387 1041134223 /nfs/dbraw/zinc/13/42/23/1041134223.db2.gz JFMMQLXBRBUEFC-UFFZPEBXSA-N -1 0 347.842 3.772 20 0 EHADRM O=C([O-])Cc1occc1C(=O)NC1CCC(c2ccc(F)cc2)CC1 ZINC000910023705 1041141504 /nfs/dbraw/zinc/14/15/04/1041141504.db2.gz SRSVCDPDQNNDQL-UHFFFAOYSA-N -1 0 345.370 3.502 20 0 EHADRM CN(C[C@@H]1CC=CCC1)C(=O)c1cc(Br)c(F)cc1[O-] ZINC000450549016 1041154583 /nfs/dbraw/zinc/15/45/83/1041154583.db2.gz ABDHEJYMXMDNNL-SNVBAGLBSA-N -1 0 342.208 3.722 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)n2)cc1 ZINC000187754702 1041160638 /nfs/dbraw/zinc/16/06/38/1041160638.db2.gz MVYQRLPUZVYCOQ-UHFFFAOYSA-N -1 0 349.264 3.911 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)CCCc1ccccc1Cl)C2 ZINC000910039795 1041160945 /nfs/dbraw/zinc/16/09/45/1041160945.db2.gz BAACUNSIWSICGO-UHFFFAOYSA-N -1 0 343.810 3.903 20 0 EHADRM COc1cccc(C2CCN(C(=O)[C@@H](CC(=O)[O-])CC(C)C)CC2)c1 ZINC000899820671 1041179044 /nfs/dbraw/zinc/17/90/44/1041179044.db2.gz WCQJHNQQYFLPKN-QGZVFWFLSA-N -1 0 347.455 3.538 20 0 EHADRM O=S(=O)([N-]c1cc2c(cn1)CCCC2)c1ccc(F)cc1Cl ZINC000571103504 1041184594 /nfs/dbraw/zinc/18/45/94/1041184594.db2.gz UBMNAXFNENSFPG-UHFFFAOYSA-N -1 0 340.807 3.554 20 0 EHADRM O=C([O-])[C@@]1(Cc2ccccc2)CCCN1C(=O)c1ccc(C(F)F)o1 ZINC000910107950 1041192118 /nfs/dbraw/zinc/19/21/18/1041192118.db2.gz PRESJSNNOYNYJW-SFHVURJKSA-N -1 0 349.333 3.519 20 0 EHADRM Cc1cc(-c2cc(F)ccc2OC[C@@H]2CCCO2)ccc1CC(=O)[O-] ZINC000571179161 1041194089 /nfs/dbraw/zinc/19/40/89/1041194089.db2.gz IDWHKOSRPWHFRR-KRWDZBQOSA-N -1 0 344.382 3.986 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cccc(-c3ccon3)c2)CCCCC1 ZINC000899846321 1041198025 /nfs/dbraw/zinc/19/80/25/1041198025.db2.gz KXUZBNRMPXJITG-UHFFFAOYSA-N -1 0 328.368 3.705 20 0 EHADRM CC(C)c1cccc(-c2ccc(C(=O)N3CC([C@@H](F)C(=O)[O-])C3)o2)c1 ZINC000910121264 1041205597 /nfs/dbraw/zinc/20/55/97/1041205597.db2.gz CFNYJFCJJIKHHQ-QGZVFWFLSA-N -1 0 345.370 3.565 20 0 EHADRM COc1cc(Cl)c(F)cc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000899850370 1041223181 /nfs/dbraw/zinc/22/31/81/1041223181.db2.gz FYINYOBPUYRZAF-UHFFFAOYSA-N -1 0 343.782 3.851 20 0 EHADRM O=C(c1nn(-c2ccc(Cl)cc2)cc1[O-])N1CCC2(CCCC2)C1 ZINC000194226620 1041238369 /nfs/dbraw/zinc/23/83/69/1041238369.db2.gz NHFMCGIDNBJZDM-UHFFFAOYSA-N -1 0 345.830 3.638 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)N(CC(=O)[O-])C2CCC2)c1 ZINC000555851707 1041241796 /nfs/dbraw/zinc/24/17/96/1041241796.db2.gz KROINCFTNIEAQF-UHFFFAOYSA-N -1 0 334.416 3.583 20 0 EHADRM CC(C)(C)c1nc(=NCc2ccsc2Br)s[n-]1 ZINC000388482595 1041294849 /nfs/dbraw/zinc/29/48/49/1041294849.db2.gz WDRRKWDSSKZSDV-UHFFFAOYSA-N -1 0 332.292 3.694 20 0 EHADRM OC[C@@H](N=c1[n-]nc(-c2ccccc2)s1)c1cccc(Cl)c1F ZINC000513042961 1041410308 /nfs/dbraw/zinc/41/03/08/1041410308.db2.gz WBBBEYFZOADTEK-CYBMUJFWSA-N -1 0 349.818 3.565 20 0 EHADRM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000392174901 1041470788 /nfs/dbraw/zinc/47/07/88/1041470788.db2.gz OVOXBRLLHMDVRU-KGLIPLIRSA-N -1 0 343.345 3.555 20 0 EHADRM CCc1ccc(NC(=O)c2cccc(OCC(=O)[O-])c2)cc1CC ZINC000432093444 1041586060 /nfs/dbraw/zinc/58/60/60/1041586060.db2.gz DNWQDUZVSQDKPW-UHFFFAOYSA-N -1 0 327.380 3.527 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)N[C@@H](CC1(OC)CCC1)C(=O)[O-] ZINC000652108852 1041618672 /nfs/dbraw/zinc/61/86/72/1041618672.db2.gz YRPIKSDUCJRTER-CVEARBPZSA-N -1 0 339.476 3.512 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)CC1(C(=O)[O-])CCC1)CCC2 ZINC000432128861 1041629281 /nfs/dbraw/zinc/62/92/81/1041629281.db2.gz HUEGYMLFNNXNLU-QGZVFWFLSA-N -1 0 329.440 3.949 20 0 EHADRM Cc1cc(Br)ccc1NC(=O)C1=C(C(=O)[O-])CCCC1 ZINC000312882330 1041638432 /nfs/dbraw/zinc/63/84/32/1041638432.db2.gz VLHREMRBDPBEDF-UHFFFAOYSA-N -1 0 338.201 3.651 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C2(c3cccs3)CCCCC2)C[C@H]1C1CC1 ZINC000652125765 1041673947 /nfs/dbraw/zinc/67/39/47/1041673947.db2.gz FEHDEEPJTOQJEZ-LSDHHAIUSA-N -1 0 347.480 3.519 20 0 EHADRM CO[C@H](C)c1nc(=NCC[C@H](c2ccccc2)C(F)(F)F)s[n-]1 ZINC000432162502 1041675079 /nfs/dbraw/zinc/67/50/79/1041675079.db2.gz NLEDBAJWTTXXEO-ZYHUDNBSSA-N -1 0 345.390 3.816 20 0 EHADRM CCOc1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1Cl ZINC000591796893 1041786315 /nfs/dbraw/zinc/78/63/15/1041786315.db2.gz ABTIAQPPSDERFR-UHFFFAOYSA-N -1 0 343.807 3.987 20 0 EHADRM CCCCCC[C@](C)(NC(=O)c1cccc(NC(=O)CC)c1)C(=O)[O-] ZINC000236732326 1042171393 /nfs/dbraw/zinc/17/13/93/1042171393.db2.gz NOQFOPYNLIJOOT-IBGZPJMESA-N -1 0 348.443 3.579 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1c1ccnc2c(Br)cccc12 ZINC000662893028 1042206525 /nfs/dbraw/zinc/20/65/25/1042206525.db2.gz JATNRUYRWWQHCI-QWRGUYRKSA-N -1 0 349.228 3.687 20 0 EHADRM COc1ccc2oc([C@H](C)NC(=O)[C@H](C(=O)[O-])C(C)(C)C)c(C)c2c1 ZINC000663035379 1042371104 /nfs/dbraw/zinc/37/11/04/1042371104.db2.gz MAGSRSGSMVPPLC-XHDPSFHLSA-N -1 0 347.411 3.674 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663151811 1042495636 /nfs/dbraw/zinc/49/56/36/1042495636.db2.gz FMNNAMNIJHJETQ-CYBMUJFWSA-N -1 0 341.860 3.683 20 0 EHADRM Cc1ccc(O[C@H](C)CNC(=O)c2cc(F)c([O-])c(Cl)c2)cc1 ZINC000184453982 1042549974 /nfs/dbraw/zinc/54/99/74/1042549974.db2.gz HZEKFJRNCOQVQN-LLVKDONJSA-N -1 0 337.778 3.690 20 0 EHADRM COc1cc(C)c([N-]S(=O)(=O)c2cc3ccccc3o2)cc1F ZINC000564784633 1042601929 /nfs/dbraw/zinc/60/19/29/1042601929.db2.gz MKTVHFYPMOGIOP-UHFFFAOYSA-N -1 0 335.356 3.690 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1oc2ccccc2c1Br ZINC000662214439 1042608196 /nfs/dbraw/zinc/60/81/96/1042608196.db2.gz MNGLFYNHCZVXHU-MWLCHTKSSA-N -1 0 338.201 3.633 20 0 EHADRM Cc1cc(Cl)cc(Cl)c1CNc1cccc(S(=O)(=O)[O-])n1 ZINC001167795274 1042644607 /nfs/dbraw/zinc/64/46/07/1042644607.db2.gz CBFRWUNJYVFCDG-UHFFFAOYSA-N -1 0 347.223 3.556 20 0 EHADRM CC[C@@H](CSc1ccccc1)NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000186927998 1042728982 /nfs/dbraw/zinc/72/89/82/1042728982.db2.gz NZNXTBQVUFDNTO-LBPRGKRZSA-N -1 0 337.391 3.971 20 0 EHADRM CC(C)[C@H](SCc1ccccc1)C(=O)[N-]OCCC(F)(F)F ZINC000162951764 1042866941 /nfs/dbraw/zinc/86/69/41/1042866941.db2.gz MIVTXCNTRNPQHR-ZDUSSCGKSA-N -1 0 335.391 3.945 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)c3cc(C(C)C)no3)s2)c1 ZINC000604264043 1042897001 /nfs/dbraw/zinc/89/70/01/1042897001.db2.gz PWYFQFGSZZYWIM-UHFFFAOYSA-N -1 0 342.424 3.608 20 0 EHADRM Cc1nc(C)c(S(=O)(=O)[N-]c2cnccc2-c2ccccc2)s1 ZINC000432351831 1042989437 /nfs/dbraw/zinc/98/94/37/1042989437.db2.gz RGNHESMTGGYZFT-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)NCc1nc(C)c(C(=O)[O-])s1)c1ccccc1 ZINC000324631545 1044488947 /nfs/dbraw/zinc/48/89/47/1044488947.db2.gz GBVXYAMCCXLZRK-XHDPSFHLSA-N -1 0 346.452 3.596 20 0 EHADRM CCSCc1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000236860456 1044766293 /nfs/dbraw/zinc/76/62/93/1044766293.db2.gz WVULYGKLBIJCHS-MRXNPFEDSA-N -1 0 335.469 3.799 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCC2(CCc3ccccc3O2)CC1 ZINC000620235286 1125524563 /nfs/dbraw/zinc/52/45/63/1125524563.db2.gz PVGSIUUJSRNNON-UHFFFAOYSA-N -1 0 341.382 3.531 20 0 EHADRM CO[C@H](CNC(=O)c1cc(F)c([O-])c(Cl)c1)C1CCCCC1 ZINC000620376087 1125561694 /nfs/dbraw/zinc/56/16/94/1125561694.db2.gz OWPAWMCKGQENKV-CQSZACIVSA-N -1 0 329.799 3.510 20 0 EHADRM O=C(NCc1coc(-c2ccccc2)n1)c1cc(F)cc(Cl)c1[O-] ZINC000154332964 1125712390 /nfs/dbraw/zinc/71/23/90/1125712390.db2.gz AADQDYZTHOOMHB-UHFFFAOYSA-N -1 0 346.745 3.770 20 0 EHADRM CNc1snc(C)c1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000154696964 1125747391 /nfs/dbraw/zinc/74/73/91/1125747391.db2.gz QEYGMROOVBGHTJ-UHFFFAOYSA-N -1 0 332.212 3.758 20 0 EHADRM Cc1cc(NC(=O)c2c([O-])cccc2F)cnc1N1CCCC[C@H]1C ZINC000622496363 1126711076 /nfs/dbraw/zinc/71/10/76/1126711076.db2.gz ZDLLJCONZKAMIL-CYBMUJFWSA-N -1 0 343.402 3.866 20 0 EHADRM COC1CCC(CCNC(=O)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000622508886 1126711918 /nfs/dbraw/zinc/71/19/18/1126711918.db2.gz KLZDEBDNBFLTSB-UHFFFAOYSA-N -1 0 345.361 3.736 20 0 EHADRM COc1ccc(N(C)C(=O)c2cccc(C(F)(F)F)c2[O-])cc1 ZINC000622740595 1126758611 /nfs/dbraw/zinc/75/86/11/1126758611.db2.gz HQVYGLTVJMTUEU-UHFFFAOYSA-N -1 0 325.286 3.696 20 0 EHADRM O=S(=O)([N-]c1ccc2scnc2c1)c1cc(F)ccc1Cl ZINC000171264433 1126758811 /nfs/dbraw/zinc/75/88/11/1126758811.db2.gz NZBNYLNRFJPYCQ-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cc1cccc2ccccc21 ZINC000336878774 1126814249 /nfs/dbraw/zinc/81/42/49/1126814249.db2.gz IOCZXTICOSAULA-UHOSZYNNSA-N -1 0 337.419 3.627 20 0 EHADRM C[C@H]1Cc2c[nH]nc2[C@H](C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC000623207634 1126896179 /nfs/dbraw/zinc/89/61/79/1126896179.db2.gz YQIBVHLZWAKMQR-OIBJUYFYSA-N -1 0 340.210 3.727 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CC[C@@H](C)[C@@H]3C)n2)c1 ZINC000176318870 1126910954 /nfs/dbraw/zinc/91/09/54/1126910954.db2.gz FAJYPAAKLNJTON-KGLIPLIRSA-N -1 0 327.428 3.572 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1c[nH]nc1-c1ccccc1F ZINC000176563880 1126937800 /nfs/dbraw/zinc/93/78/00/1126937800.db2.gz LVKUQHMSVFVOHY-UHFFFAOYSA-N -1 0 331.734 3.827 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000178231125 1127013678 /nfs/dbraw/zinc/01/36/78/1127013678.db2.gz DMEMNNIYCBAIHV-UHFFFAOYSA-N -1 0 340.766 3.857 20 0 EHADRM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)no2)cc1 ZINC000180137212 1127125194 /nfs/dbraw/zinc/12/51/94/1127125194.db2.gz PIEVDLRHQRCYLP-UHFFFAOYSA-N -1 0 338.429 3.560 20 0 EHADRM O=S(=O)([N-]c1nccc2sccc21)c1cccc2cccnc21 ZINC000182019672 1127308559 /nfs/dbraw/zinc/30/85/59/1127308559.db2.gz JLLDNFIDIRRGEL-UHFFFAOYSA-N -1 0 341.417 3.645 20 0 EHADRM CC[C@@H](C)N(Cc1ccccc1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000387350711 1127354877 /nfs/dbraw/zinc/35/48/77/1127354877.db2.gz YKPFIXJTFKKKCD-OAHLLOKOSA-N -1 0 340.423 3.895 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)CCCSc1ccc(Cl)cc1)C1CC1 ZINC000362336805 1127358395 /nfs/dbraw/zinc/35/83/95/1127358395.db2.gz XTCRRDNNQLJRKK-NSHDSACASA-N -1 0 341.860 3.676 20 0 EHADRM CCCCCS(=O)(=O)[N-][C@H](c1c(F)cccc1F)C(F)(F)F ZINC000184854730 1127414316 /nfs/dbraw/zinc/41/43/16/1127414316.db2.gz ZHWBYRUQSFOJDP-GFCCVEGCSA-N -1 0 345.333 3.678 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1c(C)noc1C(C)C ZINC000901760181 1127433622 /nfs/dbraw/zinc/43/36/22/1127433622.db2.gz CQYIPJKCJFLVBE-UHFFFAOYSA-N -1 0 326.443 3.629 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2cc3ccc(F)cc3s2)cc1 ZINC000325241293 1127453136 /nfs/dbraw/zinc/45/31/36/1127453136.db2.gz XNHRBKVCFVDODS-UHFFFAOYSA-N -1 0 345.351 3.756 20 0 EHADRM Cc1oc(-c2ccccc2)nc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000041574461 1127627677 /nfs/dbraw/zinc/62/76/77/1127627677.db2.gz ZKEOWYAGKIISBO-OAHLLOKOSA-N -1 0 332.363 3.547 20 0 EHADRM O=S(=O)([N-]c1ccccc1OCC(F)(F)F)c1ccccc1F ZINC000014205646 1127645779 /nfs/dbraw/zinc/64/57/79/1127645779.db2.gz FWSCOUICAMWWJM-UHFFFAOYSA-N -1 0 349.305 3.568 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccnn2C2CCCC2)c1 ZINC000765536527 1127648019 /nfs/dbraw/zinc/64/80/19/1127648019.db2.gz VWPBVMREOMCRHE-UHFFFAOYSA-N -1 0 339.848 3.761 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2cccc(C(F)F)c2)C1 ZINC000386263706 1127653842 /nfs/dbraw/zinc/65/38/42/1127653842.db2.gz WLZKPBROYDVVHQ-MRXNPFEDSA-N -1 0 326.343 3.733 20 0 EHADRM CCCOc1cccc([N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000032599837 1127854755 /nfs/dbraw/zinc/85/47/55/1127854755.db2.gz ASHOQLGSOJOVLE-UHFFFAOYSA-N -1 0 331.846 3.991 20 0 EHADRM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000671688335 1127904255 /nfs/dbraw/zinc/90/42/55/1127904255.db2.gz MHJXLUYIIQABGI-APHBMKBZSA-N -1 0 341.411 3.575 20 0 EHADRM Fc1ccc(C2(CN=c3[n-]nc(C4CCOCC4)s3)CCC2)cc1 ZINC000338662097 1128011434 /nfs/dbraw/zinc/01/14/34/1128011434.db2.gz NSEYRJCOJZYQEB-UHFFFAOYSA-N -1 0 347.459 3.527 20 0 EHADRM CSCCc1ccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000067933057 1128254007 /nfs/dbraw/zinc/25/40/07/1128254007.db2.gz ZQDGZXMAPBNGKY-UHFFFAOYSA-N -1 0 338.432 3.686 20 0 EHADRM C=C(C)C[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000186298635 1128381260 /nfs/dbraw/zinc/38/12/60/1128381260.db2.gz IJUVDKAWNVJFQQ-OAHLLOKOSA-N -1 0 343.448 3.761 20 0 EHADRM Fc1cc(-c2nc(-c3ccc4[n-]c(=S)sc4c3)no2)ccn1 ZINC001212389233 1128391390 /nfs/dbraw/zinc/39/13/90/1128391390.db2.gz FRJWONNNNFCJOS-UHFFFAOYSA-N -1 0 330.369 3.836 20 0 EHADRM Cc1n[n-]c(=N[C@H]2CCCSc3ccc(Br)cc32)o1 ZINC000624555502 1128392833 /nfs/dbraw/zinc/39/28/33/1128392833.db2.gz JMLKCFWCKDNVHD-NSHDSACASA-N -1 0 340.246 3.602 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)[O-] ZINC000387848541 1128433124 /nfs/dbraw/zinc/43/31/24/1128433124.db2.gz IDAXBNYWASTLJI-SNVBAGLBSA-N -1 0 343.807 3.780 20 0 EHADRM COCc1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000055595348 1128524541 /nfs/dbraw/zinc/52/45/41/1128524541.db2.gz ZNYYZMOCEIIOIH-UHFFFAOYSA-N -1 0 346.235 3.941 20 0 EHADRM CCCOc1ccc([N-]S(=O)(=O)c2ccc(C)s2)c(C)c1 ZINC000055687775 1128527438 /nfs/dbraw/zinc/52/74/38/1128527438.db2.gz YQBKEVKZHAMVMT-UHFFFAOYSA-N -1 0 325.455 3.955 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)c(F)c1 ZINC000404937368 1128703220 /nfs/dbraw/zinc/70/32/20/1128703220.db2.gz CRRKXXNHVKDDJM-UHFFFAOYSA-N -1 0 331.315 3.536 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccccc2)cn1)c1ccccc1F ZINC000109422394 1128731779 /nfs/dbraw/zinc/73/17/79/1128731779.db2.gz OMZVUCBTOSQEHH-UHFFFAOYSA-N -1 0 328.368 3.689 20 0 EHADRM CC[C@@H](NC(=O)c1cc(O)c2ccccc2c1)c1c(C)nn(C)c1C ZINC000354581314 1128757522 /nfs/dbraw/zinc/75/75/22/1128757522.db2.gz RUQOOFOOIXGNRC-QGZVFWFLSA-N -1 0 337.423 3.777 20 0 EHADRM O=C([O-])CC1(CC(=O)NCCCn2ccc3ccccc32)CCCC1 ZINC000327357112 1128818800 /nfs/dbraw/zinc/81/88/00/1128818800.db2.gz GWRYWTVLQKMWER-UHFFFAOYSA-N -1 0 342.439 3.573 20 0 EHADRM CC1(C(=O)Nc2cc(Br)cc(Cl)c2[O-])CCOCC1 ZINC000677802389 1128852127 /nfs/dbraw/zinc/85/21/27/1128852127.db2.gz PYEOLKCVLAMLMD-UHFFFAOYSA-N -1 0 348.624 3.563 20 0 EHADRM COc1cccc([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c1 ZINC000499491100 1128860925 /nfs/dbraw/zinc/86/09/25/1128860925.db2.gz GNRXJTUGLVSDLM-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM CO[C@@H](C)[C@@H](C)NC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC001648831692 1120050654 /nfs/dbraw/zinc/05/06/54/1120050654.db2.gz LPMBFDITANZCEX-NEPJUHHUSA-N -1 0 333.815 3.866 20 0 EHADRM C[C@@H](NS(=O)(=O)c1ccccc1[O-])c1ccc(Cl)cc1Cl ZINC000212104270 1120136706 /nfs/dbraw/zinc/13/67/06/1120136706.db2.gz VSOBAFIBIOCPKH-SECBINFHSA-N -1 0 346.235 3.739 20 0 EHADRM O=C([O-])c1cc(Br)cc(NCCOC2CCCCC2)c1 ZINC000227675654 1120162788 /nfs/dbraw/zinc/16/27/88/1120162788.db2.gz WSNNBZORMBUZBT-UHFFFAOYSA-N -1 0 342.233 3.909 20 0 EHADRM Cc1oc(-c2ccccc2)c(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1C ZINC000263187956 1120253979 /nfs/dbraw/zinc/25/39/79/1120253979.db2.gz SGNNYEOFMLGXOO-OAHLLOKOSA-N -1 0 327.380 3.500 20 0 EHADRM O=C(NC[C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccc(Cl)c([O-])c1 ZINC001648952528 1120254625 /nfs/dbraw/zinc/25/46/25/1120254625.db2.gz YOQRNUJNSGTOJT-WDEREUQCSA-N -1 0 333.737 3.920 20 0 EHADRM CC[C@@H](C)CN(CC)C(=O)N=c1[n-]nc(-c2ccccc2OC)s1 ZINC000455808865 1120337249 /nfs/dbraw/zinc/33/72/49/1120337249.db2.gz HXZGZYHVEIFXFP-GFCCVEGCSA-N -1 0 348.472 3.536 20 0 EHADRM CSc1cccc(C)c1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000185340248 1120410441 /nfs/dbraw/zinc/41/04/41/1120410441.db2.gz ZWHVYUBSCVWIIM-UHFFFAOYSA-N -1 0 329.393 3.796 20 0 EHADRM CC(C)(C)[C@H](NC(=O)Nc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000324262318 1120517067 /nfs/dbraw/zinc/51/70/67/1120517067.db2.gz HSHRMXGFLSXUFN-MRXNPFEDSA-N -1 0 326.396 3.974 20 0 EHADRM CC[C@@H](C)[C@H](C)N(C(=O)c1nn(-c2ccccc2)cc1[O-])C1CC1 ZINC000162977739 1120556885 /nfs/dbraw/zinc/55/68/85/1120556885.db2.gz RSGAILZIZASSJQ-KGLIPLIRSA-N -1 0 327.428 3.617 20 0 EHADRM Cn1ccc2cccc([N-]S(=O)(=O)c3cccc4ncccc43)c21 ZINC000190855460 1120652298 /nfs/dbraw/zinc/65/22/98/1120652298.db2.gz ADXGEJRRXZRKFO-UHFFFAOYSA-N -1 0 337.404 3.527 20 0 EHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000761744137 1120867515 /nfs/dbraw/zinc/86/75/15/1120867515.db2.gz KZPQNHDINIHSIV-MLFXKNMZSA-N -1 0 343.810 3.728 20 0 EHADRM CS[C@@H]1CCC[C@H](NC(=O)c2cc(Br)ccc2O)C1 ZINC000227355351 1120877397 /nfs/dbraw/zinc/87/73/97/1120877397.db2.gz PHMURVKOMLEAHR-WDEREUQCSA-N -1 0 344.274 3.559 20 0 EHADRM Cc1nc2ccccc2cc1C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000914731041 1120966769 /nfs/dbraw/zinc/96/67/69/1120966769.db2.gz XBFIAVPEQNZABW-FLIBITNWSA-N -1 0 332.359 3.893 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cc(F)ccc2Br)CCCC1 ZINC000229541297 1120967335 /nfs/dbraw/zinc/96/73/35/1120967335.db2.gz JAWRPIQIAMSFSF-UHFFFAOYSA-N -1 0 344.180 3.562 20 0 EHADRM [O-]c1c(Cl)cccc1-c1nc(-c2cccc(-n3cccn3)c2)no1 ZINC000762075664 1121092872 /nfs/dbraw/zinc/09/28/72/1121092872.db2.gz MATZOLFVHOVSCX-UHFFFAOYSA-N -1 0 338.754 3.948 20 0 EHADRM COc1ccc2c(c1)[C@H](C(=O)Nc1ccc3[n-]c(=S)oc3c1)CC2 ZINC000762074632 1121092938 /nfs/dbraw/zinc/09/29/38/1121092938.db2.gz NNOXXDCVNSBNJC-CYBMUJFWSA-N -1 0 340.404 3.794 20 0 EHADRM CN(C)c1ccc(-c2noc(-c3cccc(Cl)c3[O-])n2)cc1F ZINC000762249729 1121214043 /nfs/dbraw/zinc/21/40/43/1121214043.db2.gz CUANQKBEYCHELG-UHFFFAOYSA-N -1 0 333.750 3.968 20 0 EHADRM Cc1ccc(C(=O)Nc2cc(Br)cc(Cl)c2[O-])nc1 ZINC000762328461 1121256035 /nfs/dbraw/zinc/25/60/35/1121256035.db2.gz OEUQQWOANYTOJX-UHFFFAOYSA-N -1 0 341.592 3.764 20 0 EHADRM Cc1cc(F)c(C(=O)COC(=O)c2ccc([O-])c(Cl)c2)cc1F ZINC000762831904 1121452692 /nfs/dbraw/zinc/45/26/92/1121452692.db2.gz RILYFJWVFIYPBR-UHFFFAOYSA-N -1 0 340.709 3.672 20 0 EHADRM CCCCN(CC)c1ccc(C(=O)NC(C)(C)CCC(=O)[O-])cc1 ZINC000236728690 1121460976 /nfs/dbraw/zinc/46/09/76/1121460976.db2.gz SOQVVIWNBDBBRI-UHFFFAOYSA-N -1 0 334.460 3.686 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000236899944 1121468425 /nfs/dbraw/zinc/46/84/25/1121468425.db2.gz YIKXNRTXDMPIDI-RYUDHWBXSA-N -1 0 345.361 3.911 20 0 EHADRM C[C@H](NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1)C(=O)[O-] ZINC000237479751 1121485507 /nfs/dbraw/zinc/48/55/07/1121485507.db2.gz SKSLXTDPAGIBAQ-ZETCQYMHSA-N -1 0 344.219 3.925 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)/C=C/c1nc2ccccc2s1 ZINC000237936267 1121499003 /nfs/dbraw/zinc/49/90/03/1121499003.db2.gz AXHCBINGGACQJK-LXKVQUBZSA-N -1 0 344.436 3.555 20 0 EHADRM O=C(NCc1ccccc1OC(F)(F)F)C(F)(F)c1ccccc1 ZINC000915658068 1121574835 /nfs/dbraw/zinc/57/48/35/1121574835.db2.gz KADYVGTVILFXQS-UHFFFAOYSA-N -1 0 345.267 3.993 20 0 EHADRM CC(C)(C)c1csc(CN2CCc3c(cccc3C(=O)[O-])C2)n1 ZINC000322396354 1121646416 /nfs/dbraw/zinc/64/64/16/1121646416.db2.gz QIMSIFAKMMYILZ-UHFFFAOYSA-N -1 0 330.453 3.697 20 0 EHADRM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)cc3cccnc32)cc1 ZINC000074795450 1121713081 /nfs/dbraw/zinc/71/30/81/1121713081.db2.gz MBRPCBXWXJSZPE-UHFFFAOYSA-N -1 0 340.404 3.547 20 0 EHADRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cccc2cccnc21 ZINC000074937033 1121714319 /nfs/dbraw/zinc/71/43/19/1121714319.db2.gz LGKMLDQDPDFZJS-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM Cc1cc(-c2cnn(C(F)(F)F)c2)c(C)cc1SCC(=O)[O-] ZINC000901101088 1121874523 /nfs/dbraw/zinc/87/45/23/1121874523.db2.gz SVMSRAOKERVWPJ-UHFFFAOYSA-N -1 0 330.331 3.820 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc3n[nH]cc3cc2C)c1 ZINC000124421411 1122283836 /nfs/dbraw/zinc/28/38/36/1122283836.db2.gz RVDLBILOZLHGOT-UHFFFAOYSA-N -1 0 335.816 3.634 20 0 EHADRM CN(C)c1cccc([C@H]2CCCN2C(=O)c2c([O-])cccc2F)c1 ZINC000125178718 1122307643 /nfs/dbraw/zinc/30/76/43/1122307643.db2.gz PXILPVWHRUKNDQ-MRXNPFEDSA-N -1 0 328.387 3.575 20 0 EHADRM CCCCCC[C@@H](C)C(=O)Nc1nc2c(cccc2C(=O)OC)[nH]1 ZINC001127417915 1122327959 /nfs/dbraw/zinc/32/79/59/1122327959.db2.gz DEYDVDWFVLNIHL-GFCCVEGCSA-N -1 0 331.416 3.895 20 0 EHADRM O=C(CCCC1CCCCC1)[N-]S(=O)(=O)c1ccccc1Cl ZINC000916797120 1122354717 /nfs/dbraw/zinc/35/47/17/1122354717.db2.gz IDDDEFKYUYUIOP-UHFFFAOYSA-N -1 0 343.876 3.896 20 0 EHADRM CCC(C)(CC)NC(=O)NCc1ccc(O)c(Br)c1 ZINC000126225339 1122396356 /nfs/dbraw/zinc/39/63/56/1122396356.db2.gz UOGYYTWSZROSGB-UHFFFAOYSA-N -1 0 329.238 3.533 20 0 EHADRM COc1cc(F)c(NS(=O)(=O)c2ccc3ccccc3c2)cc1F ZINC000126517491 1122410853 /nfs/dbraw/zinc/41/08/53/1122410853.db2.gz RSCNVLWMRGUBOA-UHFFFAOYSA-N -1 0 349.358 3.927 20 0 EHADRM CCOc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000497518921 1122580008 /nfs/dbraw/zinc/58/00/08/1122580008.db2.gz FUBPMGDYJGSNES-UHFFFAOYSA-N -1 0 325.817 3.848 20 0 EHADRM COCc1c2ccccc2oc1C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000497615711 1122610356 /nfs/dbraw/zinc/61/03/56/1122610356.db2.gz UVFOFAIEFRYUQY-UHFFFAOYSA-N -1 0 339.347 3.838 20 0 EHADRM O=S(=O)(/C=C\c1ccccc1)[N-][C@H](c1ccccc1)C(F)(F)F ZINC000917905306 1122706354 /nfs/dbraw/zinc/70/63/54/1122706354.db2.gz DQYITWHCXFYCME-QYMJWVLRSA-N -1 0 341.354 3.880 20 0 EHADRM O=S(=O)([N-]c1ccc(OCC2CC2)cc1)c1ccc(F)cc1F ZINC000497958607 1122713294 /nfs/dbraw/zinc/71/32/94/1122713294.db2.gz HYTJQHLKSHWIFW-UHFFFAOYSA-N -1 0 339.363 3.554 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)/C=C/c1ccccc1Cl ZINC000324740944 1122718386 /nfs/dbraw/zinc/71/83/86/1122718386.db2.gz MEWVHUREWGHWLX-QZEKMECESA-N -1 0 341.794 3.564 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)c1 ZINC000498031008 1122734460 /nfs/dbraw/zinc/73/44/60/1122734460.db2.gz KCQDRRWBHRSKHH-UHFFFAOYSA-N -1 0 347.827 3.839 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2CCC[C@H]2Cc2ccccc2Cl)CC1 ZINC000262707559 1122744642 /nfs/dbraw/zinc/74/46/42/1122744642.db2.gz KBDWLJSIKDRGTF-DZKIICNBSA-N -1 0 349.858 3.765 20 0 EHADRM C/C=C\C[C@@H](NC(=O)CCCc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000556219416 1122884764 /nfs/dbraw/zinc/88/47/64/1122884764.db2.gz KRLJCBZWCNMEID-PYLYLYNFSA-N -1 0 343.345 3.564 20 0 EHADRM CCOC(=O)c1c(C)[nH]c(=O)nc1SCC1CCC2(CC2)CC1 ZINC000918699049 1122886301 /nfs/dbraw/zinc/88/63/01/1122886301.db2.gz FHMACHFXGKYJDH-UHFFFAOYSA-N -1 0 336.457 3.730 20 0 EHADRM O=C([O-])[C@]1([NH2+]Cc2cc(Cl)ccc2F)CCc2c1cccc2F ZINC000556320789 1122925187 /nfs/dbraw/zinc/92/51/87/1122925187.db2.gz DISLIYNUCJWFEY-KRWDZBQOSA-N -1 0 337.753 3.634 20 0 EHADRM COc1ccc([C@@H](C)N(C)C(=O)c2ccc3[n-]c(=S)oc3c2)cc1 ZINC000154830360 1122928082 /nfs/dbraw/zinc/92/80/82/1122928082.db2.gz YKPHRMYVMCXRQE-LLVKDONJSA-N -1 0 342.420 3.958 20 0 EHADRM CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)c1 ZINC000131434628 1123105777 /nfs/dbraw/zinc/10/57/77/1123105777.db2.gz HWFUAHPFLQPCJM-UHFFFAOYSA-N -1 0 334.228 3.572 20 0 EHADRM O=C(CSc1n[n-]c(=S)s1)Nc1ccc(OC(F)F)cc1 ZINC000174886978 1123216541 /nfs/dbraw/zinc/21/65/41/1123216541.db2.gz MSNFDIZCRRXIRS-UHFFFAOYSA-N -1 0 349.409 3.533 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)NCCCCC3CCCC3)cc2=O)cc1 ZINC000074158734 1123258073 /nfs/dbraw/zinc/25/80/73/1123258073.db2.gz LICYNHOBFIIYRL-UHFFFAOYSA-N -1 0 341.455 3.564 20 0 EHADRM CCOc1ccc(CCC(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)cc1 ZINC000920002121 1123260904 /nfs/dbraw/zinc/26/09/04/1123260904.db2.gz HFQDLLMURIMJBY-ZSOIEALJSA-N -1 0 339.391 3.754 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cnn1CC(C)C ZINC000499291795 1123339322 /nfs/dbraw/zinc/33/93/22/1123339322.db2.gz PQBZWVZNUPWAOU-UHFFFAOYSA-N -1 0 349.500 3.946 20 0 EHADRM Cc1cc(C)cc([N-]S(=O)(=O)c2ccccc2-c2ccno2)c1 ZINC000499333123 1123350982 /nfs/dbraw/zinc/35/09/82/1123350982.db2.gz BUDDBZFPMIEBSE-UHFFFAOYSA-N -1 0 328.393 3.759 20 0 EHADRM CCCCOc1cccc(CNC(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000236712565 1123456022 /nfs/dbraw/zinc/45/60/22/1123456022.db2.gz WMDWMTAHAWWHKI-UHFFFAOYSA-N -1 0 333.409 3.555 20 0 EHADRM COc1ccccc1CC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000237133411 1123494930 /nfs/dbraw/zinc/49/49/30/1123494930.db2.gz IWWJMYMEVSTXRE-UHFFFAOYSA-N -1 0 341.388 3.789 20 0 EHADRM O=C(Nc1cccc(OC(F)(F)F)c1)c1c([O-])cc(F)cc1F ZINC000066044071 1129125446 /nfs/dbraw/zinc/12/54/46/1129125446.db2.gz XCNBQMSVYBIZSL-UHFFFAOYSA-N -1 0 333.212 3.821 20 0 EHADRM CN(Cc1cccn1C)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000134341711 1123517698 /nfs/dbraw/zinc/51/76/98/1123517698.db2.gz KGKSJFZRKZAVLE-UHFFFAOYSA-N -1 0 328.799 3.810 20 0 EHADRM C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000237491273 1123521227 /nfs/dbraw/zinc/52/12/27/1123521227.db2.gz ZGEBRRACRCJQIO-NSHDSACASA-N -1 0 333.384 3.891 20 0 EHADRM CCOc1ncc(C(=O)Nc2cccc(Cl)c2[O-])cc1Cl ZINC000077011505 1123529624 /nfs/dbraw/zinc/52/96/24/1123529624.db2.gz VMQLBRHTFPBUFY-UHFFFAOYSA-N -1 0 327.167 3.745 20 0 EHADRM O=C(Nc1cccc(COCC2CC2)c1)c1c([O-])cc(F)cc1F ZINC000066054133 1129127695 /nfs/dbraw/zinc/12/76/95/1129127695.db2.gz VOTFLBQFFBHHMP-UHFFFAOYSA-N -1 0 333.334 3.849 20 0 EHADRM Cc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)oc1C ZINC000237768104 1123538148 /nfs/dbraw/zinc/53/81/48/1123538148.db2.gz CCZVVGDOLFXKCN-CYBMUJFWSA-N -1 0 339.750 3.635 20 0 EHADRM O=C([O-])c1cccc(NC(=O)CCc2ccc(Br)cc2)c1 ZINC000238140827 1123566128 /nfs/dbraw/zinc/56/61/28/1123566128.db2.gz KNVHYPZDMLEPRP-UHFFFAOYSA-N -1 0 348.196 3.719 20 0 EHADRM Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccccc2Cl)c1O ZINC000135091691 1123581231 /nfs/dbraw/zinc/58/12/31/1123581231.db2.gz NGVMDOIPESLZKF-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(C)c2O)c(C)c1 ZINC000135091279 1123581485 /nfs/dbraw/zinc/58/14/85/1123581485.db2.gz CGEUDJMNPTZUCV-UHFFFAOYSA-N -1 0 325.817 3.772 20 0 EHADRM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2C)o1 ZINC000135403644 1123609484 /nfs/dbraw/zinc/60/94/84/1123609484.db2.gz IJCZKDWUGUIZII-UHFFFAOYSA-N -1 0 349.387 3.535 20 0 EHADRM CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3cc(C)oc3C)cc2O1 ZINC000135571900 1123628499 /nfs/dbraw/zinc/62/84/99/1123628499.db2.gz SKRRXWAWYNFGOF-INIZCTEOSA-N -1 0 337.397 3.595 20 0 EHADRM COc1ccc(O)c(C(=O)Nc2ccc(-c3nccs3)cc2)c1 ZINC000078538076 1123636337 /nfs/dbraw/zinc/63/63/37/1123636337.db2.gz VHQPFDMJJDAEPA-UHFFFAOYSA-N -1 0 326.377 3.777 20 0 EHADRM CC[C@H]1CCCN(C(=O)c2ccc(Br)cc2O)CC1 ZINC000079055459 1123667145 /nfs/dbraw/zinc/66/71/45/1123667145.db2.gz UKJTWEFCWCHSJC-NSHDSACASA-N -1 0 326.234 3.807 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1ccc(OCc2ccccc2F)cc1 ZINC000263289480 1123734974 /nfs/dbraw/zinc/73/49/74/1123734974.db2.gz LFDMCSHZGWBUEY-UHFFFAOYSA-N -1 0 345.370 3.988 20 0 EHADRM COc1cc(C)ccc1NC(=O)c1ccc(Br)c([O-])c1 ZINC000137169750 1123753355 /nfs/dbraw/zinc/75/33/55/1123753355.db2.gz AORDWILITRDOEW-UHFFFAOYSA-N -1 0 336.185 3.724 20 0 EHADRM CCc1ccc(O)c([N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000080580647 1123758159 /nfs/dbraw/zinc/75/81/59/1123758159.db2.gz AZRXLNQDBKHKKV-UHFFFAOYSA-N -1 0 329.780 3.548 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000237661560 1123807005 /nfs/dbraw/zinc/80/70/05/1123807005.db2.gz BZTMFONBROXSPD-NSHDSACASA-N -1 0 341.194 3.576 20 0 EHADRM COc1ccc([C@@H]2CCCCCN2C(=O)CCCCC(=O)[O-])cc1 ZINC000263327020 1123810194 /nfs/dbraw/zinc/81/01/94/1123810194.db2.gz SZZLBBAPCFDKAX-KRWDZBQOSA-N -1 0 333.428 3.784 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)N=c2[n-]nc(C(C)(C)C)s2)c(C)s1 ZINC000615567906 1123827786 /nfs/dbraw/zinc/82/77/86/1123827786.db2.gz VZMCMWZSMVDTNY-SECBINFHSA-N -1 0 338.502 3.819 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cnc(Cl)c(C)c2)c1Cl ZINC000180003632 1123916262 /nfs/dbraw/zinc/91/62/62/1123916262.db2.gz DXXAACSNIUIJLJ-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)Cc1ccc2c(c1)CCCC2 ZINC000238097054 1123979280 /nfs/dbraw/zinc/97/92/80/1123979280.db2.gz UWJPIDOLHRIXCX-UHFFFAOYSA-N -1 0 331.456 3.649 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000238099419 1123979586 /nfs/dbraw/zinc/97/95/86/1123979586.db2.gz USQQPUJSZPRZDQ-DZGCQCFKSA-N -1 0 339.382 3.610 20 0 EHADRM CC(C)(C)C[C@H]1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1(C)C ZINC000616301761 1123980033 /nfs/dbraw/zinc/98/00/33/1123980033.db2.gz WDXVPIOIFFIXQR-LLVKDONJSA-N -1 0 331.416 3.605 20 0 EHADRM C[C@H](NC(=O)C[C@@H](Cc1ccccc1)c1ccccc1)[C@H](C)C(=O)[O-] ZINC000263499616 1123991217 /nfs/dbraw/zinc/99/12/17/1123991217.db2.gz YRESRWOLYPCHAO-TXPKVOOTSA-N -1 0 339.435 3.628 20 0 EHADRM COc1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c2ccccc12 ZINC000180371676 1123996721 /nfs/dbraw/zinc/99/67/21/1123996721.db2.gz MDBOGIKRYPJZAE-CQSZACIVSA-N -1 0 341.407 3.565 20 0 EHADRM Cc1ccc2oc(C(=O)N=c3[n-]nc(Cc4ccccc4)s3)cc2c1 ZINC000616990056 1124063849 /nfs/dbraw/zinc/06/38/49/1124063849.db2.gz CZJBMMOZPVYUAD-UHFFFAOYSA-N -1 0 349.415 3.858 20 0 EHADRM COc1ccc(-c2cc(C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])sc2C)cc1 ZINC000263548405 1124079116 /nfs/dbraw/zinc/07/91/16/1124079116.db2.gz VFBAHOBZTPPGHJ-MNOVXSKESA-N -1 0 347.436 3.571 20 0 EHADRM CC(C)[C@H](NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000263583110 1124734777 /nfs/dbraw/zinc/73/47/77/1124734777.db2.gz ZLWKUVBRGSZIQX-MCIONIFRSA-N -1 0 343.345 3.630 20 0 EHADRM O=C(c1s[n-]c(=O)c1Cl)N1CC2(CCCC2)[C@H]1c1ccco1 ZINC000617920518 1124838559 /nfs/dbraw/zinc/83/85/59/1124838559.db2.gz DQCCPPRFHZXMNC-GFCCVEGCSA-N -1 0 338.816 3.853 20 0 EHADRM CN(C(=O)c1ccc2oc(=O)nc-2[n-]1)C1CC(C)(C)CC(C)(C)C1 ZINC000618070517 1124955292 /nfs/dbraw/zinc/95/52/92/1124955292.db2.gz LWEYHWKLFHVYKG-UHFFFAOYSA-N -1 0 331.416 3.605 20 0 EHADRM CC(C)Cc1nc(=NC(=O)[C@@H](C)c2ccc(Cl)s2)s[n-]1 ZINC000618348708 1125058242 /nfs/dbraw/zinc/05/82/42/1125058242.db2.gz YOAKKORTWOXDNL-QMMMGPOBSA-N -1 0 329.878 3.616 20 0 EHADRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1sccc1-c1ccc(C)cc1 ZINC000181873123 1125065313 /nfs/dbraw/zinc/06/53/13/1125065313.db2.gz NPXBVCQMHKUJBS-GFCCVEGCSA-N -1 0 337.466 3.582 20 0 EHADRM CC[C@@H]1C[C@H](C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)CCO1 ZINC000182583916 1125338537 /nfs/dbraw/zinc/33/85/37/1125338537.db2.gz CWZJJANOXGQOKJ-IIAWOOMASA-N -1 0 338.407 3.573 20 0 EHADRM O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2CCN(c3ccc(Cl)cc3)C2)c1 ZINC000182698807 1125355737 /nfs/dbraw/zinc/35/57/37/1125355737.db2.gz FNBCAFYKWKDMPX-LEBHLANCSA-N -1 0 345.786 3.652 20 0 EHADRM O=S(=O)(CCCCF)[N-]c1nc2c(ccc3c2CCCC3)s1 ZINC000572558173 1125365319 /nfs/dbraw/zinc/36/53/19/1125365319.db2.gz VOLFPFJLONGDTH-UHFFFAOYSA-N -1 0 342.461 3.667 20 0 EHADRM C[C@]12CC3CC(C(=O)N4CCC[C@](C)(C(=O)[O-])C4)(C1)C[C@@](C)(C3)C2 ZINC000261723640 1125378990 /nfs/dbraw/zinc/37/89/90/1125378990.db2.gz QZVXWDOVFRAKPE-AOGGBWSVSA-N -1 0 333.472 3.696 20 0 EHADRM Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1cc(F)c(F)c([O-])c1F ZINC000183027009 1125421361 /nfs/dbraw/zinc/42/13/61/1125421361.db2.gz QCPLNGQATVSLIN-SECBINFHSA-N -1 0 337.297 3.546 20 0 EHADRM O=C(NCc1ccccc1N1CCCC1)c1ccc([O-])c(Cl)c1 ZINC000067138727 1129248242 /nfs/dbraw/zinc/24/82/42/1129248242.db2.gz KCKWWGFCYLWVSU-UHFFFAOYSA-N -1 0 330.815 3.576 20 0 EHADRM CC(C)(C)Oc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000478860892 1129281697 /nfs/dbraw/zinc/28/16/97/1129281697.db2.gz ZPLPHTJZTLWUBD-UHFFFAOYSA-N -1 0 331.343 3.954 20 0 EHADRM O=C([O-])CCc1ccc(-c2nc3cc4ccccc4cc3c(=O)[nH]2)cc1 ZINC000080128139 1129328838 /nfs/dbraw/zinc/32/88/38/1129328838.db2.gz ZOMYVBKAFOVVRA-UHFFFAOYSA-N -1 0 344.370 3.761 20 0 EHADRM O=C(c1c([O-])cc(F)cc1F)N1CCCn2c(cc3ccccc32)C1 ZINC000673397008 1129352672 /nfs/dbraw/zinc/35/26/72/1129352672.db2.gz UTASZVHTNQSLAP-UHFFFAOYSA-N -1 0 342.345 3.671 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N[C@@H](C)c2cc3ccccc3o2)s1 ZINC000466398058 1129424022 /nfs/dbraw/zinc/42/40/22/1129424022.db2.gz WHZJTNMCRFRGAA-VIFPVBQESA-N -1 0 348.453 3.701 20 0 EHADRM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000480693286 1129476407 /nfs/dbraw/zinc/47/64/07/1129476407.db2.gz BBXNXOOZCDVLHF-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM COC[C@H](N=c1nc(-c2ccccc2)[n-]s1)c1ccc(F)cc1 ZINC000499832046 1129527508 /nfs/dbraw/zinc/52/75/08/1129527508.db2.gz UBXCTMJVNITRTE-HNNXBMFYSA-N -1 0 329.400 3.566 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)[C@@H]1CC[C@H]3CCCC[C@H]3C1)C2 ZINC000328054380 1129545846 /nfs/dbraw/zinc/54/58/46/1129545846.db2.gz HVMUTHWWNOFOTO-OWCLPIDISA-N -1 0 341.451 3.876 20 0 EHADRM O=C([O-])C1(CC(=O)N(Cc2ccco2)Cc2cccs2)CCCC1 ZINC000391863368 1129689496 /nfs/dbraw/zinc/68/94/96/1129689496.db2.gz ZUPTYEVPDYHRKP-UHFFFAOYSA-N -1 0 347.436 3.905 20 0 EHADRM CSc1ccccc1[N-]C(=O)c1noc(-c2cccc(F)c2)n1 ZINC000673633842 1129719415 /nfs/dbraw/zinc/71/94/15/1129719415.db2.gz OLVHIVBVKKJWDE-UHFFFAOYSA-N -1 0 329.356 3.850 20 0 EHADRM CCN=c1[n-]nc(SC[C@H](OC)c2ccc(Cl)cc2)s1 ZINC000509096930 1129744502 /nfs/dbraw/zinc/74/45/02/1129744502.db2.gz HMGZMSBXIVXQRO-NSHDSACASA-N -1 0 329.878 3.525 20 0 EHADRM O=S(=O)([N-]c1nc2c(cccc2Cl)s1)c1cccs1 ZINC000002766720 1129830067 /nfs/dbraw/zinc/83/00/67/1129830067.db2.gz RFLDCJJJIOJLQZ-UHFFFAOYSA-N -1 0 330.843 3.812 20 0 EHADRM COC(=O)c1oc2ccccc2c1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212510871 1129870145 /nfs/dbraw/zinc/87/01/45/1129870145.db2.gz HFAMIBXWCARALM-UHFFFAOYSA-N -1 0 347.273 3.939 20 0 EHADRM O=C([O-])c1ccc(Nc2ccccc2OC2CCOCC2)c(F)c1F ZINC001212515824 1129928031 /nfs/dbraw/zinc/92/80/31/1129928031.db2.gz PYJNPTAUHTXSDC-UHFFFAOYSA-N -1 0 349.333 3.964 20 0 EHADRM CCOC(=O)Cc1ccccc1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212515670 1129929415 /nfs/dbraw/zinc/92/94/15/1129929415.db2.gz IWMRFSQXVPVFNI-UHFFFAOYSA-N -1 0 335.306 3.512 20 0 EHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)N=c2[n-]nc(-c3ccco3)s2)C1 ZINC000509199603 1129959067 /nfs/dbraw/zinc/95/90/67/1129959067.db2.gz YQWNIUXKFAVKOF-NEPJUHHUSA-N -1 0 334.445 3.556 20 0 EHADRM Cc1nc(-c2ccc([N-]S(=O)(=O)c3sc(C)nc3C)cc2)co1 ZINC000674335961 1130067344 /nfs/dbraw/zinc/06/73/44/1130067344.db2.gz XSJMXHDVIQQWRT-UHFFFAOYSA-N -1 0 349.437 3.524 20 0 EHADRM CC(C)(C)n1cc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)cn1 ZINC000485389237 1130169546 /nfs/dbraw/zinc/16/95/46/1130169546.db2.gz KHQZJWMFXHLCFO-UHFFFAOYSA-N -1 0 348.255 3.746 20 0 EHADRM CC(C)(CC(=O)NCCc1cccc(-c2ccccc2)c1)C(=O)[O-] ZINC000675000371 1130238227 /nfs/dbraw/zinc/23/82/27/1130238227.db2.gz CCKOTEFDHXAILV-UHFFFAOYSA-N -1 0 325.408 3.513 20 0 EHADRM CSc1ccncc1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000675124687 1130256855 /nfs/dbraw/zinc/25/68/55/1130256855.db2.gz QVHFTIOTQPOYBF-UHFFFAOYSA-N -1 0 349.264 3.911 20 0 EHADRM C[C@H](c1ccccc1)n1ccc(NC(=O)c2c([O-])cc(F)cc2F)n1 ZINC000675415612 1130360779 /nfs/dbraw/zinc/36/07/79/1130360779.db2.gz VYNYHFGGKSWIHA-LLVKDONJSA-N -1 0 343.333 3.729 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)[nH]n2)c(Cl)cc1F ZINC000675434789 1130372430 /nfs/dbraw/zinc/37/24/30/1130372430.db2.gz CFNPYIMSURQPAG-UHFFFAOYSA-N -1 0 345.827 3.609 20 0 EHADRM CCn1nc(C)cc1-c1nc(-c2ccc3[n-]c(=S)sc3c2)no1 ZINC001212564738 1130394936 /nfs/dbraw/zinc/39/49/36/1130394936.db2.gz WQUJSIFHOSWJHN-UHFFFAOYSA-N -1 0 343.437 3.827 20 0 EHADRM CCCc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(OC)cc2)cc1 ZINC000675947220 1130507833 /nfs/dbraw/zinc/50/78/33/1130507833.db2.gz VXCMIMUFYXTOID-SFHVURJKSA-N -1 0 341.407 3.594 20 0 EHADRM Cc1c(NC(=O)CCCOCc2ccccc2)cccc1C(=O)[O-] ZINC000675966843 1130511032 /nfs/dbraw/zinc/51/10/32/1130511032.db2.gz VCGDWGRYHQWAIS-UHFFFAOYSA-N -1 0 327.380 3.629 20 0 EHADRM CC(C)Cn1cc(C(=O)N(CCC(=O)[O-])CC2CC2)c2ccccc21 ZINC000675972589 1130511903 /nfs/dbraw/zinc/51/19/03/1130511903.db2.gz WGESSAJAVDQXDX-UHFFFAOYSA-N -1 0 342.439 3.624 20 0 EHADRM Cc1ccc(-c2ncc(C(=O)N3CCCC[C@H]3C(=O)[O-])s2)c(C)c1 ZINC000675952221 1130512916 /nfs/dbraw/zinc/51/29/16/1130512916.db2.gz XBYIUMXJHSNFRH-AWEZNQCLSA-N -1 0 344.436 3.506 20 0 EHADRM CC[C@H](c1ccccc1)N(CC)C(=O)c1n[n-]c2ccccc2c1=O ZINC000732278600 1130905607 /nfs/dbraw/zinc/90/56/07/1130905607.db2.gz QJDMHRNTTPAOKI-QGZVFWFLSA-N -1 0 335.407 3.949 20 0 EHADRM CCCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000732615210 1130941885 /nfs/dbraw/zinc/94/18/85/1130941885.db2.gz AUPNAHSZTYRVKB-UHFFFAOYSA-N -1 0 331.437 3.739 20 0 EHADRM CCc1ccc(C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)cc1 ZINC000347993572 1131113091 /nfs/dbraw/zinc/11/30/91/1131113091.db2.gz IBDYJMSHCNVQDW-UHFFFAOYSA-N -1 0 331.799 3.629 20 0 EHADRM C[C@@H]1CCCC[C@H]1CCNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000734017157 1131183962 /nfs/dbraw/zinc/18/39/62/1131183962.db2.gz CXGJBGWYLMUAFI-NEPJUHHUSA-N -1 0 345.468 3.570 20 0 EHADRM CC[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1ccccc1F ZINC000734079205 1131194035 /nfs/dbraw/zinc/19/40/35/1131194035.db2.gz NMDJIOAZRFZENL-AWEZNQCLSA-N -1 0 341.448 3.627 20 0 EHADRM C[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000734079642 1131194249 /nfs/dbraw/zinc/19/42/49/1131194249.db2.gz SULIQYNVXBZJKF-CQSZACIVSA-N -1 0 349.496 3.587 20 0 EHADRM C[C@H](NC(=O)c1c([O-])cc(F)cc1F)c1nc2ccccc2s1 ZINC000734179424 1131207904 /nfs/dbraw/zinc/20/79/04/1131207904.db2.gz WNDLAIYNODRQQR-QMMMGPOBSA-N -1 0 334.347 3.771 20 0 EHADRM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cccc2ccccc21 ZINC000737352037 1131511176 /nfs/dbraw/zinc/51/11/76/1131511176.db2.gz AKDMMXPVGJRLGO-AWEZNQCLSA-N -1 0 339.416 3.661 20 0 EHADRM Cc1nc(-c2ccc(CNc3ncccc3C(=O)[O-])cc2)cs1 ZINC000742374141 1131717141 /nfs/dbraw/zinc/71/71/41/1131717141.db2.gz ZUVBBGUMSCZEQS-UHFFFAOYSA-N -1 0 325.393 3.824 20 0 EHADRM CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000743249878 1131882358 /nfs/dbraw/zinc/88/23/58/1131882358.db2.gz QSOLMUQFIAKTBG-UHFFFAOYSA-N -1 0 345.420 3.529 20 0 EHADRM O=C([N-]S(=O)(=O)C1CCCCC1)C1CCC(c2ccccc2)CC1 ZINC000744080265 1132016680 /nfs/dbraw/zinc/01/66/80/1132016680.db2.gz MHZRWKQRNJRXQO-UHFFFAOYSA-N -1 0 349.496 3.739 20 0 EHADRM Cc1nocc1Nc1cc(Br)c(O)c(Br)c1 ZINC001212722177 1132060849 /nfs/dbraw/zinc/06/08/49/1132060849.db2.gz PWLDILKNYWIMHA-UHFFFAOYSA-N -1 0 347.994 3.957 20 0 EHADRM Fc1cccc(-c2nc(-c3ccc4[n-]c(=S)sc4c3)no2)n1 ZINC001212745016 1132107286 /nfs/dbraw/zinc/10/72/86/1132107286.db2.gz GOTWLGGJWGKKNN-UHFFFAOYSA-N -1 0 330.369 3.836 20 0 EHADRM COc1ccc(C(C)C)cc1Nc1nc[n-]c(=O)c1Br ZINC001173917753 1132173781 /nfs/dbraw/zinc/17/37/81/1132173781.db2.gz UMYSJTUXVGIQOI-UHFFFAOYSA-N -1 0 338.205 3.820 20 0 EHADRM COc1ccc(F)cc1Nc1cc(Cl)c(C)cc1S(=O)(=O)[O-] ZINC001173956189 1132183477 /nfs/dbraw/zinc/18/34/77/1132183477.db2.gz YWAAJGBYIAHDHZ-UHFFFAOYSA-N -1 0 345.779 3.786 20 0 EHADRM Cc1cc(S(=O)(=O)[O-])c(Nc2ccnc3ccccc32)cc1Cl ZINC001174040201 1132222495 /nfs/dbraw/zinc/22/24/95/1132222495.db2.gz XRAVWPZKJYIHGG-UHFFFAOYSA-N -1 0 348.811 3.609 20 0 EHADRM COCc1ccccc1Nc1ccc2c(cccc2S(=O)(=O)[O-])c1 ZINC001174105178 1132229335 /nfs/dbraw/zinc/22/93/35/1132229335.db2.gz JZBZJPDDZVSPAU-UHFFFAOYSA-N -1 0 343.404 3.977 20 0 EHADRM COc1ccc(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)c(F)c1 ZINC001174146070 1132253890 /nfs/dbraw/zinc/25/38/90/1132253890.db2.gz VBNYLJCFSZQSCA-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM O=C([O-])c1ccc(Nc2cccc(C(=O)NCc3ccco3)c2)cc1 ZINC001174201078 1132281540 /nfs/dbraw/zinc/28/15/40/1132281540.db2.gz MQTSZFAKWNIKRJ-UHFFFAOYSA-N -1 0 336.347 3.651 20 0 EHADRM O=S(=O)([O-])c1ccc2ccc(Nc3ccc4n[nH]cc4c3)cc2c1 ZINC001174271997 1132307580 /nfs/dbraw/zinc/30/75/80/1132307580.db2.gz DDNAXAIYCFFWSO-UHFFFAOYSA-N -1 0 339.376 3.706 20 0 EHADRM O=S(=O)([O-])c1c(Nc2cnc3[nH]ccc3c2)ccc2ccccc21 ZINC001174399131 1132332740 /nfs/dbraw/zinc/33/27/40/1132332740.db2.gz PFNDJWPMJYGVRF-UHFFFAOYSA-N -1 0 339.376 3.658 20 0 EHADRM O=C(NCCSCc1ccccc1)c1ccc2[n-]c(=S)oc2c1 ZINC000746098158 1132365896 /nfs/dbraw/zinc/36/58/96/1132365896.db2.gz AJKVDWRUOCMYMZ-UHFFFAOYSA-N -1 0 344.461 3.780 20 0 EHADRM O=C([O-])C=Cc1cccc(Nc2cc(-c3ccncc3)c[nH]c2=O)c1 ZINC001174494861 1132370733 /nfs/dbraw/zinc/37/07/33/1132370733.db2.gz JQDXSLYOKDHGCP-SNAWJCMRSA-N -1 0 333.347 3.691 20 0 EHADRM Cc1cc(Nc2cccc(/C=C/C(=O)[O-])c2)ncc1Br ZINC001174494346 1132371017 /nfs/dbraw/zinc/37/10/17/1132371017.db2.gz CTDXFRXOAGWHBQ-AATRIKPKSA-N -1 0 333.185 3.994 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2ccccc2CN2CCCC2=O)c1 ZINC001174499264 1132372571 /nfs/dbraw/zinc/37/25/71/1132372571.db2.gz CYFNFWYFLDCITG-ZHACJKMWSA-N -1 0 336.391 3.650 20 0 EHADRM O=C(NCc1cc2c(s1)CCCC2)c1ccc2[n-]c(=S)oc2c1 ZINC000746132239 1132381031 /nfs/dbraw/zinc/38/10/31/1132381031.db2.gz SNHBEJYCMKXNLS-UHFFFAOYSA-N -1 0 344.461 3.987 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cc(C(C)=O)cc(C(C)=O)c1 ZINC001174675244 1132432839 /nfs/dbraw/zinc/43/28/39/1132432839.db2.gz JXFVGTJRTNFPAR-UHFFFAOYSA-N -1 0 327.336 3.542 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cc(OC(F)(F)F)ccc1N ZINC001174674997 1132432885 /nfs/dbraw/zinc/43/28/85/1132432885.db2.gz CYRMNFSHZBPEMD-UHFFFAOYSA-N -1 0 342.273 3.618 20 0 EHADRM COC(=O)c1cc(C)c(Nc2ccc(C(=O)[O-])cc2OC)c(C)c1 ZINC001174677320 1132433759 /nfs/dbraw/zinc/43/37/59/1132433759.db2.gz VWMUNVCWZRBFEV-UHFFFAOYSA-N -1 0 329.352 3.540 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc(N)cc1C(F)(F)F ZINC001174677642 1132434281 /nfs/dbraw/zinc/43/42/81/1132434281.db2.gz OHNGIJZTLGVLRD-UHFFFAOYSA-N -1 0 326.274 3.738 20 0 EHADRM COC(=O)c1oc2ccccc2c1Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001174682480 1132434928 /nfs/dbraw/zinc/43/49/28/1132434928.db2.gz KYGVZBJLFOIMIJ-UHFFFAOYSA-N -1 0 341.319 3.670 20 0 EHADRM COc1cc(Nc2cc(C(F)(F)F)ccc2N)ccc1C(=O)[O-] ZINC001174685111 1132435807 /nfs/dbraw/zinc/43/58/07/1132435807.db2.gz ORQZVLLEDXTEDQ-UHFFFAOYSA-N -1 0 326.274 3.738 20 0 EHADRM COc1cc(Nc2cccc(F)c2N2CCCC2)ccc1C(=O)[O-] ZINC001174685984 1132435908 /nfs/dbraw/zinc/43/59/08/1132435908.db2.gz FYXKFJMLCIYPQY-UHFFFAOYSA-N -1 0 330.359 3.876 20 0 EHADRM COc1cc(Nc2csc(-c3ccncc3)n2)ccc1C(=O)[O-] ZINC001174683000 1132435994 /nfs/dbraw/zinc/43/59/94/1132435994.db2.gz KHKWQTBWXUESPE-UHFFFAOYSA-N -1 0 327.365 3.656 20 0 EHADRM CC(C)CCC[C@H](C)NC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000746327929 1132446289 /nfs/dbraw/zinc/44/62/89/1132446289.db2.gz MWKXHKHJLFJNJB-AWEZNQCLSA-N -1 0 330.428 3.671 20 0 EHADRM O=C(c1c([O-])cc(F)cc1F)N(Cc1c(F)cccc1F)C1CC1 ZINC000189986406 1132449940 /nfs/dbraw/zinc/44/99/40/1132449940.db2.gz HXOKKENDWDXYTM-UHFFFAOYSA-N -1 0 339.288 3.753 20 0 EHADRM CCOc1n[nH]c(NC(=O)C(C)=Cc2c(Cl)cccc2Cl)n1 ZINC001174746092 1132464523 /nfs/dbraw/zinc/46/45/23/1132464523.db2.gz ZPUCZYWKOQXHOV-FPLPWBNLSA-N -1 0 341.198 3.552 20 0 EHADRM CCOC(=O)c1ccc2ccc(Nc3ccc(C(=O)[O-])s3)cc2n1 ZINC001174807367 1132478759 /nfs/dbraw/zinc/47/87/59/1132478759.db2.gz JLVXUQRYNPGHML-UHFFFAOYSA-N -1 0 342.376 3.915 20 0 EHADRM O=C(c1nn(-c2ccc(Cl)cc2)cc1[O-])N1CCC[C@H]1C1CCC1 ZINC000194023138 1132484478 /nfs/dbraw/zinc/48/44/78/1132484478.db2.gz LAPOFOUAEJYCIE-HNNXBMFYSA-N -1 0 345.830 3.636 20 0 EHADRM CCc1c(C)sc(Nc2ccc(CC(=O)[O-])cc2)c1C(=O)OC ZINC001174949464 1132515507 /nfs/dbraw/zinc/51/55/07/1132515507.db2.gz MOAORQLYHXXCOW-UHFFFAOYSA-N -1 0 333.409 3.776 20 0 EHADRM O=C([O-])Cc1ccc(Nc2cccc(F)c2OC[C@@H]2CCCO2)cc1 ZINC001174957272 1132518270 /nfs/dbraw/zinc/51/82/70/1132518270.db2.gz YKZMRXIERYSBAE-HNNXBMFYSA-N -1 0 345.370 3.754 20 0 EHADRM O=S(=O)([O-])c1cc(Cl)ccc1Nc1ccc(F)c(F)c1F ZINC001174968882 1132521695 /nfs/dbraw/zinc/52/16/95/1132521695.db2.gz UEDLATFNNPJGLY-UHFFFAOYSA-N -1 0 337.706 3.748 20 0 EHADRM COc1cc(Nc2cc(C(=O)[O-])ccc2C)ccc1-n1cnc(C)c1 ZINC001174985011 1132536072 /nfs/dbraw/zinc/53/60/72/1132536072.db2.gz YVHLYECIDRYOLB-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM CCOc1ccc(F)c([N-]c2nnc(Br)s2)c1F ZINC001175040619 1132546727 /nfs/dbraw/zinc/54/67/27/1132546727.db2.gz OLVGRAUHCMNEJD-UHFFFAOYSA-N -1 0 336.161 3.721 20 0 EHADRM C[C@@]([N-]C(=O)C(F)(F)c1ccccc1F)(C1CC1)C(F)(F)F ZINC000766483510 1132557685 /nfs/dbraw/zinc/55/76/85/1132557685.db2.gz MIHHGLNBOBFALD-GFCCVEGCSA-N -1 0 325.252 3.765 20 0 EHADRM Cc1ccc(Nc2ccc(C(=O)[O-])c(F)c2)c(Br)n1 ZINC001175154779 1132568626 /nfs/dbraw/zinc/56/86/26/1132568626.db2.gz DCEYCZZIVWWVFN-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM COc1ccccc1-n1ncc(C)c1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175159016 1132570470 /nfs/dbraw/zinc/57/04/70/1132570470.db2.gz WBDPZRWAAOEGGU-UHFFFAOYSA-N -1 0 341.342 3.770 20 0 EHADRM COc1cc(Nc2ccc(C(=O)[O-])c(F)c2)ccc1-c1cnco1 ZINC001175160658 1132571746 /nfs/dbraw/zinc/57/17/46/1132571746.db2.gz QYODETCYDWQCOA-UHFFFAOYSA-N -1 0 328.299 3.931 20 0 EHADRM O=S(=O)([O-])c1cccc(Nc2cccc(O[C@@H]3CCCCO3)c2)c1 ZINC001175184517 1132591610 /nfs/dbraw/zinc/59/16/10/1132591610.db2.gz BVIBKMXOWVINAG-QGZVFWFLSA-N -1 0 349.408 3.582 20 0 EHADRM CC(C)(C)c1nnc2ccc(Nc3ccc(F)c(C(=O)[O-])c3)cn21 ZINC001175220022 1132598644 /nfs/dbraw/zinc/59/86/44/1132598644.db2.gz JCNSDBAQVBAYBE-UHFFFAOYSA-N -1 0 328.347 3.608 20 0 EHADRM Cc1cnn(-c2ccc(F)cc2)c1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175219745 1132598749 /nfs/dbraw/zinc/59/87/49/1132598749.db2.gz FSRLDZNIUGFGDI-UHFFFAOYSA-N -1 0 329.306 3.901 20 0 EHADRM COc1ccc(Nc2ccc(CC(C)C)cc2)c(S(=O)(=O)[O-])c1 ZINC001175297260 1132616850 /nfs/dbraw/zinc/61/68/50/1132616850.db2.gz ZVFALONFSKVDSH-UHFFFAOYSA-N -1 0 335.425 3.884 20 0 EHADRM COc1ccc(-n2nccc2Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001175316228 1132636091 /nfs/dbraw/zinc/63/60/91/1132636091.db2.gz VBAQPAYDOHHDHB-UHFFFAOYSA-N -1 0 343.770 3.976 20 0 EHADRM O=C([O-])c1ccc(Nc2cccc3c2C(=O)N=NC3=O)cc1Cl ZINC001175320418 1132638232 /nfs/dbraw/zinc/63/82/32/1132638232.db2.gz QGIQIXRTIDTBLQ-UHFFFAOYSA-N -1 0 329.699 3.528 20 0 EHADRM O=C([O-])c1cccc(Nc2ccc3nccnc3c2Br)c1 ZINC001175329120 1132639975 /nfs/dbraw/zinc/63/99/75/1132639975.db2.gz IXAGKTXQFXXCOE-UHFFFAOYSA-N -1 0 344.168 3.834 20 0 EHADRM COc1cc(Br)c(O)c(Nc2cccc(C(=O)[O-])c2)c1 ZINC001175329042 1132640527 /nfs/dbraw/zinc/64/05/27/1132640527.db2.gz GWEQDXWMSPTYAH-UHFFFAOYSA-N -1 0 338.157 3.605 20 0 EHADRM O=C([O-])c1cccc(Nc2cccc(C(=O)Nc3cccnc3)c2)c1 ZINC001175331352 1132641310 /nfs/dbraw/zinc/64/13/10/1132641310.db2.gz LDPSKQKEECGOBJ-UHFFFAOYSA-N -1 0 333.347 3.776 20 0 EHADRM O=S(=O)([O-])c1cc(Cl)ccc1Nc1ccc(-n2cccn2)cc1 ZINC001175370359 1132652025 /nfs/dbraw/zinc/65/20/25/1132652025.db2.gz AAYOJGJNXHYJFJ-UHFFFAOYSA-N -1 0 349.799 3.516 20 0 EHADRM CC(C)(C)OC(=O)NCc1cccc(Nc2cncc(C(=O)[O-])c2)c1 ZINC001175844050 1132773244 /nfs/dbraw/zinc/77/32/44/1132773244.db2.gz YPJOWQULXOXSIZ-UHFFFAOYSA-N -1 0 343.383 3.548 20 0 EHADRM CC(C)(C)OC(=O)c1ccc(Nc2cncc(C(=O)[O-])c2)c(F)c1 ZINC001175843711 1132773711 /nfs/dbraw/zinc/77/37/11/1132773711.db2.gz XWTRILVWJVNCBX-UHFFFAOYSA-N -1 0 332.331 3.618 20 0 EHADRM O=C([O-])Cn1cc(Nc2cn(Cc3ccccc3)c3ccccc23)cn1 ZINC001176267296 1132897672 /nfs/dbraw/zinc/89/76/72/1132897672.db2.gz NJAGAQLWXKCZHK-UHFFFAOYSA-N -1 0 346.390 3.714 20 0 EHADRM COc1ccc(/C=C/c2ccc(Nc3cnn(CC(=O)[O-])c3)cc2)cc1 ZINC001176273329 1132899476 /nfs/dbraw/zinc/89/94/76/1132899476.db2.gz YZHYFDWSMIIYHX-NSCUHMNNSA-N -1 0 349.390 3.890 20 0 EHADRM COC(=O)c1ccc(Nc2csc(C(=O)[O-])c2)c(C(F)(F)F)c1 ZINC001176435407 1132928316 /nfs/dbraw/zinc/92/83/16/1132928316.db2.gz CZXFIOSRQYGJPQ-UHFFFAOYSA-N -1 0 345.298 3.995 20 0 EHADRM Nc1cc(Br)cc2c1ccn2-c1csc(C(=O)[O-])c1 ZINC001176437741 1132928966 /nfs/dbraw/zinc/92/89/66/1132928966.db2.gz ZUPZWGVVXOALCA-UHFFFAOYSA-N -1 0 337.198 3.735 20 0 EHADRM O=C([O-])c1cc(Nc2ccccc2-c2nc(CO)cs2)cs1 ZINC001176441251 1132929565 /nfs/dbraw/zinc/92/95/65/1132929565.db2.gz YHSVAOGFKCWLRL-UHFFFAOYSA-N -1 0 332.406 3.806 20 0 EHADRM Cc1cc(/C=C\C(=O)N(C)[C@@H](C)C(=O)[O-])c(C)n1C1CCCCC1 ZINC000767018076 1132931083 /nfs/dbraw/zinc/93/10/83/1132931083.db2.gz LPCDVQHMZXEWLM-WOLCWHLNSA-N -1 0 332.444 3.555 20 0 EHADRM CCN(CC)C(=O)c1cc(Nc2ccc(C(=O)[O-])cc2)ccc1F ZINC001176517608 1132954981 /nfs/dbraw/zinc/95/49/81/1132954981.db2.gz DKFAQLIZRBQWKO-UHFFFAOYSA-N -1 0 330.359 3.750 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3ccnn3-c3ccccc3F)cc2)CC1 ZINC001176586196 1132960441 /nfs/dbraw/zinc/96/04/41/1132960441.db2.gz DQAYALWTSQTKHF-UHFFFAOYSA-N -1 0 337.354 3.871 20 0 EHADRM COC(=O)c1cc(F)c(C)c(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1 ZINC001176588178 1132961440 /nfs/dbraw/zinc/96/14/40/1132961440.db2.gz JXBDIYGMBVJDHV-UHFFFAOYSA-N -1 0 343.354 3.781 20 0 EHADRM CC1(C)C(=O)Nc2cc(Nc3ccc(C4(C(=O)[O-])CC4)cc3)ccc21 ZINC001176589788 1132962361 /nfs/dbraw/zinc/96/23/61/1132962361.db2.gz YHNTYIIHETYABV-UHFFFAOYSA-N -1 0 336.391 3.776 20 0 EHADRM COC(=O)c1c(F)cc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cc1F ZINC001176590262 1132962464 /nfs/dbraw/zinc/96/24/64/1132962464.db2.gz NGYXHZKNOHFIMP-UHFFFAOYSA-N -1 0 347.317 3.611 20 0 EHADRM CC1(C)Oc2cc(Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2NC1=O ZINC001176595729 1132964635 /nfs/dbraw/zinc/96/46/35/1132964635.db2.gz UPAVZBBTZUPHBY-BJMVGYQFSA-N -1 0 338.363 3.638 20 0 EHADRM C[C@@H]1Cc2cc(Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2N(C)C1=O ZINC001176597545 1132970418 /nfs/dbraw/zinc/97/04/18/1132970418.db2.gz KBOKLTLJSWYPLG-ZQNFCJTASA-N -1 0 336.391 3.683 20 0 EHADRM COc1cccc(Cn2nc(C)cc2Nc2ccc(C(=O)[O-])cc2)c1 ZINC001176709885 1132994983 /nfs/dbraw/zinc/99/49/83/1132994983.db2.gz ACGYXINDIFGPFK-UHFFFAOYSA-N -1 0 337.379 3.690 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(Br)cn3ccnc23)cc1 ZINC001176711639 1132995150 /nfs/dbraw/zinc/99/51/50/1132995150.db2.gz QXPWJQZAHFDADW-UHFFFAOYSA-N -1 0 332.157 3.539 20 0 EHADRM O=C(NCc1cccc2ncccc12)c1cccc(C(F)(F)F)c1[O-] ZINC001177272375 1133051205 /nfs/dbraw/zinc/05/12/05/1133051205.db2.gz YZKIQJVRCBIRDW-UHFFFAOYSA-N -1 0 346.308 3.889 20 0 EHADRM Cc1ccc(F)c(CN(C)C(=O)c2ccc3[n-]c(=S)oc3c2)c1 ZINC000768333843 1133125728 /nfs/dbraw/zinc/12/57/28/1133125728.db2.gz WHALZTLGILZTKV-UHFFFAOYSA-N -1 0 330.384 3.836 20 0 EHADRM O=C([N-]Cc1nc2c(s1)C[C@@H](c1ccccc1)CC2)C(F)(F)F ZINC000768592659 1133161177 /nfs/dbraw/zinc/16/11/77/1133161177.db2.gz XMDFEQOALHXBGU-NSHDSACASA-N -1 0 340.370 3.594 20 0 EHADRM O=C(N[C@H]1C[C@H](c2ccc(F)cc2F)C1)c1ccc([O-])c(Cl)c1 ZINC001179004222 1133220750 /nfs/dbraw/zinc/22/07/50/1133220750.db2.gz YCXGILCXVHREAO-UMSPYCQHSA-N -1 0 337.753 4.000 20 0 EHADRM C[C@H](C(=O)Nc1ccc2[n-]c(=S)oc2c1)N1CCc2ccccc21 ZINC000769244847 1133250416 /nfs/dbraw/zinc/25/04/16/1133250416.db2.gz SMWCNOVNNNORSU-LLVKDONJSA-N -1 0 339.420 3.506 20 0 EHADRM CC[C@@H](C(=O)Nc1ccc2[n-]c(=S)oc2c1)c1c(C)noc1C ZINC000769300850 1133257190 /nfs/dbraw/zinc/25/71/90/1133257190.db2.gz UASHPCHUKNJRSQ-LLVKDONJSA-N -1 0 331.397 3.854 20 0 EHADRM Cc1ccc(-c2cc(C(=O)N(C)CCC(=O)[O-])c3ccccc3n2)cc1 ZINC000769541059 1133311366 /nfs/dbraw/zinc/31/13/66/1133311366.db2.gz MHTQYDBXTIUJLZ-UHFFFAOYSA-N -1 0 348.402 3.757 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(F)c(Br)c1[O-])C(F)(F)F ZINC001180087748 1133328216 /nfs/dbraw/zinc/32/82/16/1133328216.db2.gz FGTOWMLJDAYTDI-RXMQYKEDSA-N -1 0 344.102 3.821 20 0 EHADRM O=C(N[C@@H]1CCOC12CCCC2)c1cc(Cl)cc(Cl)c1[O-] ZINC001180189327 1133335705 /nfs/dbraw/zinc/33/57/05/1133335705.db2.gz NCYJRAVXYUUQAJ-GFCCVEGCSA-N -1 0 330.211 3.531 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ncc(-c3ccccc3)s2)CCCCC1 ZINC001180434139 1133369795 /nfs/dbraw/zinc/36/97/95/1133369795.db2.gz JIVGLMKCSLGXAJ-UHFFFAOYSA-N -1 0 330.409 3.784 20 0 EHADRM O=C([O-])C1(C(=O)N[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2c2ccccc2)CCCCC1 ZINC001180440710 1133370435 /nfs/dbraw/zinc/37/04/35/1133370435.db2.gz RHXFVGCIFVMBFY-XWTMOSNGSA-N -1 0 341.451 3.720 20 0 EHADRM O=C([O-])C1(C(=O)N2CCC[C@H]2c2ccc(F)cc2F)CCCCC1 ZINC001180438605 1133370786 /nfs/dbraw/zinc/37/07/86/1133370786.db2.gz QFSPMDAAYIMXSI-HNNXBMFYSA-N -1 0 337.366 3.663 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@@H](C)[C@@H](O)c2ccc(F)cc2)c(O)c1 ZINC000770039198 1133381121 /nfs/dbraw/zinc/38/11/21/1133381121.db2.gz PEIXDFWVPXIHLM-KPZWWZAWSA-N -1 0 331.387 3.507 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1scc2c1OCCO2 ZINC001151054809 1133515259 /nfs/dbraw/zinc/51/52/59/1133515259.db2.gz BKHBIRFWJQJHEU-UHFFFAOYSA-N -1 0 346.191 3.784 20 0 EHADRM CC(=O)Nc1ccc(C(=O)CCC(=O)Nc2ccccc2[S-])cc1 ZINC001182075543 1133572278 /nfs/dbraw/zinc/57/22/78/1133572278.db2.gz RDUPFVUYHIRQGF-UHFFFAOYSA-N -1 0 342.420 3.535 20 0 EHADRM O=C([O-])c1ccccc1NC[C@@H](O)c1c(Cl)cccc1Cl ZINC001170029853 1133579547 /nfs/dbraw/zinc/57/95/47/1133579547.db2.gz DZHIHSGCLJDWDW-CYBMUJFWSA-N -1 0 326.179 3.837 20 0 EHADRM Cc1ccc(OC[C@H](C)NC(=O)c2cc(F)c([O-])c(Cl)c2)cc1 ZINC000772153230 1133652094 /nfs/dbraw/zinc/65/20/94/1133652094.db2.gz URKIGGZAAXGBCQ-NSHDSACASA-N -1 0 337.778 3.690 20 0 EHADRM CC(C)Oc1cc(O)ccc1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000772656339 1133712755 /nfs/dbraw/zinc/71/27/55/1133712755.db2.gz JIGXXNIOSYIMDV-UHFFFAOYSA-N -1 0 339.750 3.930 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2c(C)nc3ccc(Cl)cn32)cc1 ZINC000785552104 1133720403 /nfs/dbraw/zinc/72/04/03/1133720403.db2.gz PNISIMMFUFOTSP-UHFFFAOYSA-N -1 0 349.843 3.659 20 0 EHADRM CC(C)C[C@@H](C)NC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC001183059062 1133764281 /nfs/dbraw/zinc/76/42/81/1133764281.db2.gz YYTRAHYAWZCYCM-MRVPVSSYSA-N -1 0 334.641 3.973 20 0 EHADRM CCC1(CC)[C@H](NC(=O)c2cc(F)cc(Cl)c2[O-])[C@H](C)[C@H]1OC ZINC001183093152 1133767974 /nfs/dbraw/zinc/76/79/74/1133767974.db2.gz LIWDTKQDHOCKSL-TZTCFGBESA-N -1 0 343.826 3.754 20 0 EHADRM CC1(C)COC(c2ccccc2NC(=O)Cc2ccc([S-])cc2)=N1 ZINC001183187823 1133776672 /nfs/dbraw/zinc/77/66/72/1133776672.db2.gz PTYBCGIXALHMMT-UHFFFAOYSA-N -1 0 340.448 3.712 20 0 EHADRM O=C(Cc1ccc([S-])cc1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC001183191270 1133777863 /nfs/dbraw/zinc/77/78/63/1133777863.db2.gz VVQCDIDSPKKFHQ-UHFFFAOYSA-N -1 0 340.423 3.723 20 0 EHADRM CCCCS(=O)(=O)[N-]C(=O)C[C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000786273723 1133825278 /nfs/dbraw/zinc/82/52/78/1133825278.db2.gz UKULBEXRYWMACK-YOEHRIQHSA-N -1 0 337.485 3.550 20 0 EHADRM O=C([N-]CCCSCCc1c(F)cccc1Cl)C(F)(F)F ZINC000774679916 1133853070 /nfs/dbraw/zinc/85/30/70/1133853070.db2.gz LDKSAHOIAJAEDZ-UHFFFAOYSA-N -1 0 343.773 3.823 20 0 EHADRM CSc1ncc([O-])c(C(=O)N(C(C)C)[C@@H](C)c2ccccc2)n1 ZINC001185176816 1134044409 /nfs/dbraw/zinc/04/44/09/1134044409.db2.gz OAFBCBBSDABRHF-LBPRGKRZSA-N -1 0 331.441 3.516 20 0 EHADRM O=S(=O)([N-]c1cccc(CCc2ccccn2)c1)c1ccsc1 ZINC001185341248 1134074732 /nfs/dbraw/zinc/07/47/32/1134074732.db2.gz MNJUDJGWSZZFCF-UHFFFAOYSA-N -1 0 344.461 3.729 20 0 EHADRM O=S(=O)([N-]c1ccc2sc(Cl)nc2c1)c1ccsc1 ZINC001185384265 1134075970 /nfs/dbraw/zinc/07/59/70/1134075970.db2.gz SAMFVNLEVPBNGT-UHFFFAOYSA-N -1 0 330.843 3.812 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1c(Cl)nc2ccccn21 ZINC000788088877 1134078912 /nfs/dbraw/zinc/07/89/12/1134078912.db2.gz FJGIIIPFYIKRRG-UHFFFAOYSA-N -1 0 343.770 3.555 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cc3ccccc3s2)cc1F ZINC001185421077 1134081446 /nfs/dbraw/zinc/08/14/46/1134081446.db2.gz GVAWJFYALBNMOM-UHFFFAOYSA-N -1 0 337.397 3.850 20 0 EHADRM O=S(=O)([N-]c1csc2nccnc12)c1cc2ccccc2s1 ZINC001185425293 1134082632 /nfs/dbraw/zinc/08/26/32/1134082632.db2.gz MJCUFPGYWNEIQE-UHFFFAOYSA-N -1 0 347.446 3.707 20 0 EHADRM O=C(C=C([O-])c1ccccc1Cl)N1CCC[C@H]1Cc1ccccn1 ZINC001185429164 1134084791 /nfs/dbraw/zinc/08/47/91/1134084791.db2.gz QPHQESBYUBORHX-HNNXBMFYSA-N -1 0 342.826 3.542 20 0 EHADRM CC(C)c1nccnc1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185432870 1134085323 /nfs/dbraw/zinc/08/53/23/1134085323.db2.gz GVOCGVNVTHFQMR-UHFFFAOYSA-N -1 0 333.438 3.616 20 0 EHADRM Cc1onc(OC(F)F)c1[N-]C(=O)c1csc(-c2ccoc2)n1 ZINC000788111858 1134085570 /nfs/dbraw/zinc/08/55/70/1134085570.db2.gz PJRBQYVYDCPBLQ-UHFFFAOYSA-N -1 0 341.295 3.553 20 0 EHADRM Cc1cccc(C(C)(C)CNC(=O)C=C([O-])c2ccccc2Cl)n1 ZINC001185444348 1134086708 /nfs/dbraw/zinc/08/67/08/1134086708.db2.gz UGVQWUQJNHAJBS-UHFFFAOYSA-N -1 0 344.842 3.710 20 0 EHADRM COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1 ZINC001185524857 1134103090 /nfs/dbraw/zinc/10/30/90/1134103090.db2.gz NXMNPBKONHHWPB-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)c1O ZINC001185530146 1134104491 /nfs/dbraw/zinc/10/44/91/1134104491.db2.gz VNNOIURBAVNTHY-UHFFFAOYSA-N -1 0 329.780 3.602 20 0 EHADRM O=C(Nc1cccnc1)Nc1c(Cl)ccc(Br)c1[O-] ZINC001185702300 1134121903 /nfs/dbraw/zinc/12/19/03/1134121903.db2.gz ARFCXORJIXKZBK-UHFFFAOYSA-N -1 0 342.580 3.847 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccncc2)cc1)c1ccc(Cl)nc1 ZINC001185679629 1134124492 /nfs/dbraw/zinc/12/44/92/1134124492.db2.gz IVBWSQPYPVWGKG-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM CCC[C@@H](NC(=O)c1cccc([S-])c1)C(=O)OCc1ccccc1 ZINC001186163199 1134172212 /nfs/dbraw/zinc/17/22/12/1134172212.db2.gz LAFQZHQKCXZYQM-QGZVFWFLSA-N -1 0 343.448 3.617 20 0 EHADRM O=C(c1cccc([S-])c1)N1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC001186149747 1134175407 /nfs/dbraw/zinc/17/54/07/1134175407.db2.gz UGUJTABTQFXMOZ-MRXNPFEDSA-N -1 0 333.840 3.842 20 0 EHADRM CC(=O)C1(c2ccccc2)CCN(C(=O)c2cccc([S-])c2)CC1 ZINC001186149805 1134175799 /nfs/dbraw/zinc/17/57/99/1134175799.db2.gz VNMCSHYYKLWRBD-UHFFFAOYSA-N -1 0 339.460 3.738 20 0 EHADRM Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc2[nH][nH]c(=O)c2c1 ZINC001186273491 1134191019 /nfs/dbraw/zinc/19/10/19/1134191019.db2.gz YGGHOMMMJVLHAA-UHFFFAOYSA-N -1 0 346.390 3.615 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2csc3ccccc32)cc1CO ZINC001186498305 1134222407 /nfs/dbraw/zinc/22/24/07/1134222407.db2.gz MKGXQMJQXPCGGD-UHFFFAOYSA-N -1 0 333.434 3.503 20 0 EHADRM COCOc1cccc([N-]S(=O)(=O)c2csc3ccccc32)c1 ZINC001186497913 1134222608 /nfs/dbraw/zinc/22/26/08/1134222608.db2.gz KEZCROKPSMCQNJ-UHFFFAOYSA-N -1 0 349.433 3.685 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2csc3ccccc32)n(CC2CC2)n1 ZINC001186464397 1134226031 /nfs/dbraw/zinc/22/60/31/1134226031.db2.gz SCMNBBFUEOIPJV-UHFFFAOYSA-N -1 0 347.465 3.617 20 0 EHADRM O=S(=O)(N[C@@H]1[CH]CC=C1)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC001186627866 1134238197 /nfs/dbraw/zinc/23/81/97/1134238197.db2.gz GNVMQXGEBYDCOJ-INIZCTEOSA-N -1 0 332.832 3.818 20 0 EHADRM C[C@H](C(=O)[N-]C#N)N(C(=O)OC(C)(C)C)c1cccc2ccccc21 ZINC001186741655 1134250480 /nfs/dbraw/zinc/25/04/80/1134250480.db2.gz WKEUBJGYKVHISM-CYBMUJFWSA-N -1 0 339.395 3.567 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCc2c3ccccc3oc2C1 ZINC001186780414 1134257369 /nfs/dbraw/zinc/25/73/69/1134257369.db2.gz WWBTWEURPULMLO-UHFFFAOYSA-N -1 0 347.292 3.754 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2ccco2)cc1Br ZINC001186863136 1134270450 /nfs/dbraw/zinc/27/04/50/1134270450.db2.gz JWUJDGANRIVQLB-UHFFFAOYSA-N -1 0 348.243 3.565 20 0 EHADRM Cc1cnc(Cl)cc1[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187181701 1134306107 /nfs/dbraw/zinc/30/61/07/1134306107.db2.gz XZMBVLRPFSDYJU-UHFFFAOYSA-N -1 0 342.873 3.785 20 0 EHADRM COc1cc(C)c(CNc2cc(C(=O)[O-])c(C)cc2C)cc1OC ZINC000789902497 1134347449 /nfs/dbraw/zinc/34/74/49/1134347449.db2.gz PIOKQLXOWAPJKW-UHFFFAOYSA-N -1 0 329.396 3.939 20 0 EHADRM O=C([O-])c1cc(NCc2ccc(F)cc2Cl)cc2c1OCCO2 ZINC000789902553 1134348018 /nfs/dbraw/zinc/34/80/18/1134348018.db2.gz BQDAUEIXCIXFKN-UHFFFAOYSA-N -1 0 337.734 3.561 20 0 EHADRM CC(=O)c1cccc(O)c1NC(=O)c1ccccc1-c1cccnc1 ZINC001188040997 1134412665 /nfs/dbraw/zinc/41/26/65/1134412665.db2.gz FVPHRMQAUJUKGR-UHFFFAOYSA-N -1 0 332.359 3.909 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000746938243 1134450248 /nfs/dbraw/zinc/45/02/48/1134450248.db2.gz JWKISRFPJGYVFI-OAHLLOKOSA-N -1 0 345.361 3.991 20 0 EHADRM O=S(=O)(/C=C\c1ccccc1Cl)[N-]c1nccc2ccncc21 ZINC000790645022 1134450655 /nfs/dbraw/zinc/45/06/55/1134450655.db2.gz RGHHKEKJPFUSOB-YFHOEESVSA-N -1 0 345.811 3.696 20 0 EHADRM Cc1c(Cl)cc(NC(=O)c2cc(C3CC3)[nH]n2)c([O-])c1Cl ZINC001188395412 1134457261 /nfs/dbraw/zinc/45/72/61/1134457261.db2.gz NJPAZVIBVCXLKG-UHFFFAOYSA-N -1 0 326.183 3.860 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)on1 ZINC001188420613 1134460944 /nfs/dbraw/zinc/46/09/44/1134460944.db2.gz YSBJCFGNHOHLAX-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccoc2)n(-c2ccccc2)n1 ZINC001188570640 1134478122 /nfs/dbraw/zinc/47/81/22/1134478122.db2.gz BIHMYZSVGZPIAV-UHFFFAOYSA-N -1 0 345.424 3.564 20 0 EHADRM Cc1cc(C)c(C(=O)COC(=O)c2c(F)cc([O-])cc2F)c(C)c1C ZINC000746987338 1134516286 /nfs/dbraw/zinc/51/62/86/1134516286.db2.gz PLGAPMGUPYBAOM-UHFFFAOYSA-N -1 0 348.345 3.944 20 0 EHADRM O=C(Nc1ccccc1[S-])c1ccn(-c2ccc3ccccn32)n1 ZINC001188930057 1134520157 /nfs/dbraw/zinc/52/01/57/1134520157.db2.gz JBLBVOFPALXSPR-UHFFFAOYSA-N -1 0 334.404 3.666 20 0 EHADRM CC(C)Cc1cc([N-]S(=O)(=O)CCc2ccc(Cl)cc2)on1 ZINC001189067729 1134539407 /nfs/dbraw/zinc/53/94/07/1134539407.db2.gz UBTLFVHVKSXFLA-UHFFFAOYSA-N -1 0 342.848 3.511 20 0 EHADRM C[C@@H]([N-]S(=O)(=O)c1onc(C2CC2)c1Cl)C1CCCCCC1 ZINC001189072516 1134541573 /nfs/dbraw/zinc/54/15/73/1134541573.db2.gz YCEAXMZKGCICPU-SNVBAGLBSA-N -1 0 346.880 3.843 20 0 EHADRM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(F)c3ccccc32)cn1 ZINC001189355422 1134579924 /nfs/dbraw/zinc/57/99/24/1134579924.db2.gz HGYYBPYUMBQWBS-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)C[C@H](C)C2CCCCC2)sc1C ZINC000775289292 1134614464 /nfs/dbraw/zinc/61/44/64/1134614464.db2.gz MCXVCBRUKWSCAP-LBPRGKRZSA-N -1 0 343.514 3.776 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCC(C)(C)C2)sc1C ZINC000775297181 1134619848 /nfs/dbraw/zinc/61/98/48/1134619848.db2.gz PEAPOYXWRHRVGH-ZDUSSCGKSA-N -1 0 343.514 3.776 20 0 EHADRM O=C(Nc1ccccc1[S-])c1cccc(OC(F)(F)F)c1O ZINC001189765534 1134623905 /nfs/dbraw/zinc/62/39/05/1134623905.db2.gz DVRYPPHIYTXOJF-UHFFFAOYSA-N -1 0 329.299 3.832 20 0 EHADRM CCC[C@H](C)c1cc([N-]S(=O)(=O)Cc2ccc(F)cc2F)on1 ZINC001189781055 1134626770 /nfs/dbraw/zinc/62/67/70/1134626770.db2.gz WNBRLBIJHHVIKV-JTQLQIEISA-N -1 0 344.383 3.798 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)Cc2ccc(F)cc2F)sn1 ZINC001189789543 1134627334 /nfs/dbraw/zinc/62/73/34/1134627334.db2.gz ZGTWXXLMKPQRMB-UHFFFAOYSA-N -1 0 346.424 3.661 20 0 EHADRM Cc1ccc2cccc([N-]S(=O)(=O)Cc3ccc(F)cc3F)c2n1 ZINC001189824211 1134630456 /nfs/dbraw/zinc/63/04/56/1134630456.db2.gz RUFNTYFGQHNROJ-UHFFFAOYSA-N -1 0 348.374 3.763 20 0 EHADRM O=S(=O)(Cc1ccc(F)cc1F)Nc1ccc(Cl)cc1[S-] ZINC001189827034 1134631195 /nfs/dbraw/zinc/63/11/95/1134631195.db2.gz JHQZTTDZCMHGIC-UHFFFAOYSA-N -1 0 349.811 3.849 20 0 EHADRM O=S(=O)(CCCF)[N-]c1cc(-c2ccccc2)cc(Cl)n1 ZINC001189873796 1134632803 /nfs/dbraw/zinc/63/28/03/1134632803.db2.gz GPNJQJPCAYYROY-UHFFFAOYSA-N -1 0 328.796 3.503 20 0 EHADRM CCCCC(=O)[N-]S(=O)(=O)[C@H](C)c1ccc(Cl)cc1Cl ZINC000772787437 1134633015 /nfs/dbraw/zinc/63/30/15/1134633015.db2.gz UVYSITDPCNYYPK-SECBINFHSA-N -1 0 338.256 3.691 20 0 EHADRM O=S(=O)(CCCF)[N-]c1cc(F)ccc1OC1CCCCC1 ZINC001189920134 1134635730 /nfs/dbraw/zinc/63/57/30/1134635730.db2.gz SQWGZFBAWWLJLW-UHFFFAOYSA-N -1 0 333.400 3.639 20 0 EHADRM O=C(NC1(c2ccccn2)CC1)c1cc(Br)ccc1[S-] ZINC001189970607 1134638202 /nfs/dbraw/zinc/63/82/02/1134638202.db2.gz YHMKXGGNBZTJCI-UHFFFAOYSA-N -1 0 349.253 3.552 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NS(=O)(=O)c1cc([O-])cc(F)c1 ZINC001190032990 1134650538 /nfs/dbraw/zinc/65/05/38/1134650538.db2.gz RZOOVSBEWFBVSK-NSHDSACASA-N -1 0 349.383 3.625 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1nc(Br)ccc1F ZINC000792275014 1134675998 /nfs/dbraw/zinc/67/59/98/1134675998.db2.gz AZIGBFQWVQNDHP-UHFFFAOYSA-N -1 0 345.555 3.595 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)cc(C)c1F ZINC001190388879 1134689199 /nfs/dbraw/zinc/68/91/99/1134689199.db2.gz BNKKDLHGBCAUML-UHFFFAOYSA-N -1 0 333.306 3.661 20 0 EHADRM Cc1ccc(Cl)c(CNS(=O)(=O)c2cc(F)cc(F)c2F)c1 ZINC001190413166 1134695842 /nfs/dbraw/zinc/69/58/42/1134695842.db2.gz OAAUJUYOXGFEOX-UHFFFAOYSA-N -1 0 349.761 3.544 20 0 EHADRM O=S(=O)([N-]c1cn2c(cccc2Cl)n1)c1ccc(C2CC2)cc1 ZINC001190472800 1134706139 /nfs/dbraw/zinc/70/61/39/1134706139.db2.gz XTQWDUCTZXLKCV-UHFFFAOYSA-N -1 0 347.827 3.666 20 0 EHADRM CC1(C)c2ccccc2-c2ccc([N-]S(=O)(=O)c3ncc[nH]3)cc21 ZINC001190728117 1134743943 /nfs/dbraw/zinc/74/39/43/1134743943.db2.gz CRQHXLUDCKKDOV-UHFFFAOYSA-N -1 0 339.420 3.517 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cc(F)cc(C)c2O)cc1 ZINC001191249374 1134836270 /nfs/dbraw/zinc/83/62/70/1134836270.db2.gz RZWBSROITOMLGD-UHFFFAOYSA-N -1 0 337.416 3.983 20 0 EHADRM COCOc1ccc(C(=O)Nc2c(Cl)ccc([O-])c2Cl)cc1 ZINC001191273648 1134838486 /nfs/dbraw/zinc/83/84/86/1134838486.db2.gz OZPKRLIVCMWXGY-UHFFFAOYSA-N -1 0 342.178 3.934 20 0 EHADRM Cc1ccc(Cl)c(NC(=O)Nc2cccc(S(=O)(=O)[O-])c2)c1 ZINC001191704520 1134902626 /nfs/dbraw/zinc/90/26/26/1134902626.db2.gz JWRCDVAFABMIEK-UHFFFAOYSA-N -1 0 340.788 3.539 20 0 EHADRM O=C1CCCCCN1CCC/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000005292095 1134921204 /nfs/dbraw/zinc/92/12/04/1134921204.db2.gz QBKOBVSSOWKIBG-YBFXNURJSA-N -1 0 343.254 3.911 20 0 EHADRM Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC001192064706 1134963494 /nfs/dbraw/zinc/96/34/94/1134963494.db2.gz IVHWUDOKSVLMKS-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM Cc1cnc([N-]S(=O)(=O)c2ccc(-c3ccc(C)cc3)cc2)o1 ZINC001192064420 1134963862 /nfs/dbraw/zinc/96/38/62/1134963862.db2.gz FKNJZZJHESUCEN-UHFFFAOYSA-N -1 0 328.393 3.759 20 0 EHADRM Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)nc3)cc2)cc1 ZINC001192063119 1134963941 /nfs/dbraw/zinc/96/39/41/1134963941.db2.gz GDUANXOGRBVDMI-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM COC(=O)[C@H]1C[C@@H]1c1ccc(C(=O)Nc2ccccc2[S-])cc1 ZINC001192191106 1134976660 /nfs/dbraw/zinc/97/66/60/1134976660.db2.gz SSSBFRTWUNPRTD-KGLIPLIRSA-N -1 0 327.405 3.504 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cnc(Cl)cc2C)cc(C)c1F ZINC001192358145 1135005637 /nfs/dbraw/zinc/00/56/37/1135005637.db2.gz YJZHPQBVAMCTFH-UHFFFAOYSA-N -1 0 328.796 3.600 20 0 EHADRM CC(C)(C)/C=C\C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC000794001683 1135011719 /nfs/dbraw/zinc/01/17/19/1135011719.db2.gz HGDBNFKRDWOSJS-STUIXMSNSA-N -1 0 335.831 3.569 20 0 EHADRM Cc1cc(=O)oc(C)c1C(=O)Nc1c(Cl)ccc([O-])c1Cl ZINC001192522725 1135026251 /nfs/dbraw/zinc/02/62/51/1135026251.db2.gz VMBSKZHDPIUXCP-UHFFFAOYSA-N -1 0 328.151 3.521 20 0 EHADRM Cc1ccccc1-c1cc(NC(=O)c2cc(F)c([O-])cc2F)n(C)n1 ZINC001192860087 1135068014 /nfs/dbraw/zinc/06/80/14/1135068014.db2.gz OORVNDCTSRXEJU-UHFFFAOYSA-N -1 0 343.333 3.632 20 0 EHADRM Cc1ccc2c(cccc2[N-]S(=O)(=O)c2cnccc2Cl)c1 ZINC001192902848 1135070781 /nfs/dbraw/zinc/07/07/81/1135070781.db2.gz SZURVMSEEFTINN-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM COc1cc2c(cc1NC(=O)c1cc(=O)[nH][n-]1)C(C)(C)CCC2(C)C ZINC001193473692 1135140580 /nfs/dbraw/zinc/14/05/80/1135140580.db2.gz RNJGVCVALCAPSC-UHFFFAOYSA-N -1 0 343.427 3.725 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(-c3cccs3)cc2)sn1 ZINC001194141386 1135239813 /nfs/dbraw/zinc/23/98/13/1135239813.db2.gz FNEOWAMOMZEVGD-UHFFFAOYSA-N -1 0 336.463 3.981 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc3c(Cl)cccc3c2)nc1 ZINC001194216009 1135245165 /nfs/dbraw/zinc/24/51/65/1135245165.db2.gz QUQLTPSOUWIFKH-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1ccc(-n2cccc2)nc1 ZINC000805256333 1135253251 /nfs/dbraw/zinc/25/32/51/1135253251.db2.gz LRWRNRPRVGQVQY-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1ccc2c(ccn2C)c1 ZINC001194268834 1135253782 /nfs/dbraw/zinc/25/37/82/1135253782.db2.gz DJOMEMRGJPLOKM-UHFFFAOYSA-N -1 0 346.390 3.630 20 0 EHADRM COc1ccc(OC(=O)N=c2s[n-]nc2-c2ccccc2)cc1 ZINC001194496811 1135278072 /nfs/dbraw/zinc/27/80/72/1135278072.db2.gz DTGNKMZAUQCLNP-UHFFFAOYSA-N -1 0 327.365 3.825 20 0 EHADRM C=Cc1cccc([N-]S(=O)(=O)c2ncccc2C(F)(F)F)c1 ZINC001194569449 1135287116 /nfs/dbraw/zinc/28/71/16/1135287116.db2.gz LTQMQVXQQZCOCI-UHFFFAOYSA-N -1 0 328.315 3.544 20 0 EHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1cc(-c2ccccc2)no1 ZINC001194604821 1135291349 /nfs/dbraw/zinc/29/13/49/1135291349.db2.gz HPLGCLGHOFYAPV-UHFFFAOYSA-N -1 0 328.393 3.759 20 0 EHADRM COc1ncccc1S(=O)(=O)[N-]c1ccc(-c2cccs2)cc1 ZINC001194705582 1135306471 /nfs/dbraw/zinc/30/64/71/1135306471.db2.gz KCFVAQUORJFLIF-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM CC[C@@H](C)COC(=O)Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1 ZINC001194807204 1135323406 /nfs/dbraw/zinc/32/34/06/1135323406.db2.gz PPIOUVAJQZGKFX-LLVKDONJSA-N -1 0 337.397 3.681 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCc2sc(Cl)cc2C1 ZINC001130356510 1135323705 /nfs/dbraw/zinc/32/37/05/1135323705.db2.gz PZQXLPBHTHTQHK-UHFFFAOYSA-N -1 0 328.220 3.959 20 0 EHADRM O=S(=O)([N-]c1csc2ccccc12)c1cccc2nccnc21 ZINC001194943665 1135344787 /nfs/dbraw/zinc/34/47/87/1135344787.db2.gz ZZNLOXAEXBDKFB-UHFFFAOYSA-N -1 0 341.417 3.645 20 0 EHADRM CCc1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc2nccnc21 ZINC001194980360 1135350881 /nfs/dbraw/zinc/35/08/81/1135350881.db2.gz BPJOAMITRROQTH-UHFFFAOYSA-N -1 0 347.827 3.646 20 0 EHADRM CC(C)c1cccnc1NC(=O)c1c([O-])c(F)c(F)c(F)c1F ZINC001195290935 1135408329 /nfs/dbraw/zinc/40/83/29/1135408329.db2.gz OKSUWACQFIFEIQ-UHFFFAOYSA-N -1 0 328.265 3.719 20 0 EHADRM COc1cc(C)c(NC(=O)c2c([O-])c(F)c(F)c(F)c2F)cc1C ZINC001195303283 1135409784 /nfs/dbraw/zinc/40/97/84/1135409784.db2.gz UWCKWALTDSNKKM-UHFFFAOYSA-N -1 0 343.276 3.826 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cccc2c1OCCC2 ZINC001195309146 1135411014 /nfs/dbraw/zinc/41/10/14/1135411014.db2.gz ICQWXAQAWGBGFD-UHFFFAOYSA-N -1 0 337.828 3.774 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cccc2c1C(=O)CC2 ZINC001195310298 1135411903 /nfs/dbraw/zinc/41/19/03/1135411903.db2.gz XOEXTKUVGHXUPT-UHFFFAOYSA-N -1 0 335.812 3.578 20 0 EHADRM CC(C)NC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2[O-])cc1 ZINC000775650522 1135415996 /nfs/dbraw/zinc/41/59/96/1135415996.db2.gz FJGCIPRSCBHBFR-UHFFFAOYSA-N -1 0 347.802 3.828 20 0 EHADRM O=S(=O)(N[C@@H]1CCC[C@H](c2ccccc2)CC1)c1ccccc1[O-] ZINC001195398519 1135417919 /nfs/dbraw/zinc/41/79/19/1135417919.db2.gz VGBUVPVAERXQIK-DLBZAZTESA-N -1 0 345.464 3.787 20 0 EHADRM CC(=O)Nc1ccc(F)c(C(=O)Nc2cc(Cl)c([O-])cc2F)c1 ZINC000805261190 1135441936 /nfs/dbraw/zinc/44/19/36/1135441936.db2.gz UEXXGKRQOQAHRJ-UHFFFAOYSA-N -1 0 340.713 3.535 20 0 EHADRM Cc1nc(F)ccc1/C=C/c1cc(C(=O)[O-])c2cnn(C(C)C)c2n1 ZINC000806559644 1135459240 /nfs/dbraw/zinc/45/92/40/1135459240.db2.gz DFFYRJZVLNPFSS-GQCTYLIASA-N -1 0 340.358 3.723 20 0 EHADRM COCCCOc1ccccc1NC(=O)c1cccc(Cl)c1[O-] ZINC000775670198 1135462830 /nfs/dbraw/zinc/46/28/30/1135462830.db2.gz WDZXQLONGPOXNQ-UHFFFAOYSA-N -1 0 335.787 3.713 20 0 EHADRM CCCCCNS(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001196067413 1135509869 /nfs/dbraw/zinc/50/98/69/1135509869.db2.gz YGLLVAXOAKWRAX-UHFFFAOYSA-N -1 0 347.436 3.520 20 0 EHADRM CCC[C@H](NC(=O)CSc1n[n-]c(=S)s1)C1CCCCC1 ZINC000747380958 1135528951 /nfs/dbraw/zinc/52/89/51/1135528951.db2.gz BUWSJKRQYGPZFO-NSHDSACASA-N -1 0 345.559 3.784 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccc3)cc2)c(F)c1 ZINC001196344599 1135548722 /nfs/dbraw/zinc/54/87/22/1135548722.db2.gz QTBYEZIRMJIREW-UHFFFAOYSA-N -1 0 330.384 3.726 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccs3)no2)c(F)c1 ZINC001196353412 1135550125 /nfs/dbraw/zinc/55/01/25/1135550125.db2.gz QWASBJNZIDAOJB-UHFFFAOYSA-N -1 0 338.385 3.651 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)C(=O)[N-]OC1CCCCC1)C(C)(C)C ZINC000807678161 1135561458 /nfs/dbraw/zinc/56/14/58/1135561458.db2.gz GWZBNFDOLDURRC-QGZVFWFLSA-N -1 0 346.471 3.579 20 0 EHADRM CC(C)(NC(=O)c1cc(Cl)c(F)cc1[O-])C(=O)c1ccccc1 ZINC001196467761 1135564017 /nfs/dbraw/zinc/56/40/17/1135564017.db2.gz SSEKDXUEJCHOLU-UHFFFAOYSA-N -1 0 335.762 3.576 20 0 EHADRM O=C(NCc1cc(F)c(F)c(F)c1)c1cc(Cl)c(F)cc1[O-] ZINC001196466528 1135564284 /nfs/dbraw/zinc/56/42/84/1135564284.db2.gz JTVYCBHOCLWBTL-UHFFFAOYSA-N -1 0 333.668 3.532 20 0 EHADRM O=C(NCc1ccc(OC(F)F)cc1)c1cc(Cl)c(F)cc1[O-] ZINC001196468378 1135564803 /nfs/dbraw/zinc/56/48/03/1135564803.db2.gz YRNYNXUEBQTFOS-UHFFFAOYSA-N -1 0 345.704 3.716 20 0 EHADRM Cn1ccc2cc(CNC(=O)c3cc(Cl)c(F)cc3[O-])ccc21 ZINC001196452108 1135568926 /nfs/dbraw/zinc/56/89/26/1135568926.db2.gz ASFXQYPJLCXZSN-UHFFFAOYSA-N -1 0 332.762 3.606 20 0 EHADRM O=C(Nc1ccc(-n2ccnc2)cc1)c1cc(Cl)c(F)cc1[O-] ZINC001196453170 1135569144 /nfs/dbraw/zinc/56/91/44/1135569144.db2.gz KDNFAERSHODVGT-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM O=C(NCCCc1c[nH]c2ccccc12)c1cccc(Cl)c1[O-] ZINC000775724155 1135574887 /nfs/dbraw/zinc/57/48/87/1135574887.db2.gz LYLSPADZVOYRSU-UHFFFAOYSA-N -1 0 328.799 3.890 20 0 EHADRM Cc1nc2c(s1)[C@@H](N(C)C(=O)c1cccc(Cl)c1[O-])CCC2 ZINC000775735165 1135590160 /nfs/dbraw/zinc/59/01/60/1135590160.db2.gz JVIYCEZCTYHYTN-ZDUSSCGKSA-N -1 0 336.844 3.960 20 0 EHADRM COc1ccc(F)c(S(=O)(=O)[N-]c2cc(C)cc(Cl)c2)c1 ZINC001196762987 1135603722 /nfs/dbraw/zinc/60/37/22/1135603722.db2.gz KZJJIDYEHQXBOV-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM [O-]c1c(Cl)nccc1NC(=S)NCc1ccccc1Cl ZINC001196801194 1135611942 /nfs/dbraw/zinc/61/19/42/1135611942.db2.gz GFTPEWMXGCPNAP-UHFFFAOYSA-N -1 0 328.224 3.581 20 0 EHADRM COc1cc(C)c(S(=O)(=O)Nc2cncc(C(C)C)c2)c(C)c1 ZINC001196857391 1135623740 /nfs/dbraw/zinc/62/37/40/1135623740.db2.gz VTRHBILVKQVSEI-UHFFFAOYSA-N -1 0 334.441 3.631 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCS[C@@H](c2ccccc2)C1 ZINC000775748542 1135625341 /nfs/dbraw/zinc/62/53/41/1135625341.db2.gz DPWBHJSGISMDFP-OAHLLOKOSA-N -1 0 333.840 3.976 20 0 EHADRM COc1ccc([C@H](C)N(C)C(=S)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001197096834 1135645714 /nfs/dbraw/zinc/64/57/14/1135645714.db2.gz NHDXYPUZLHVKKO-LBPRGKRZSA-N -1 0 344.436 3.783 20 0 EHADRM C[C@@H]1CN(C(=S)Nc2ccc(C(=O)[O-])cc2)Cc2ccccc21 ZINC001197075221 1135647421 /nfs/dbraw/zinc/64/74/21/1135647421.db2.gz GCVHMHIEGIVCGE-GFCCVEGCSA-N -1 0 326.421 3.701 20 0 EHADRM C[C@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)c1c(F)cccc1F ZINC001197136881 1135648799 /nfs/dbraw/zinc/64/87/99/1135648799.db2.gz JQDZJAORHLCSHF-VIFPVBQESA-N -1 0 336.363 3.711 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NCC2(Cc3ccccc3)CC2)cc1 ZINC001197140738 1135649525 /nfs/dbraw/zinc/64/95/25/1135649525.db2.gz ZCHWJFVDAKVULK-UHFFFAOYSA-N -1 0 340.448 3.694 20 0 EHADRM CC(C)(Cc1ccc(F)cc1)NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197128145 1135653452 /nfs/dbraw/zinc/65/34/52/1135653452.db2.gz HBTKOJKEXQEKRB-UHFFFAOYSA-N -1 0 346.427 3.832 20 0 EHADRM C[C@H]1CN(C(=O)c2cccc(Cl)c2[O-])[C@@H](c2ccccc2)CO1 ZINC000775766543 1135668528 /nfs/dbraw/zinc/66/85/28/1135668528.db2.gz YYWFERIDEVOEHO-BLLLJJGKSA-N -1 0 331.799 3.648 20 0 EHADRM CC(C)n1cnc([N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)c1 ZINC001197507410 1135701692 /nfs/dbraw/zinc/70/16/92/1135701692.db2.gz DVNOAKRNQSYZCI-UHFFFAOYSA-N -1 0 348.255 3.713 20 0 EHADRM O=S(=O)(Cc1ccc(Cl)c(F)c1)[N-]c1cc(C2CCC2)no1 ZINC001197642567 1135715438 /nfs/dbraw/zinc/71/54/38/1135715438.db2.gz CGTSEBBFUORGDN-UHFFFAOYSA-N -1 0 344.795 3.677 20 0 EHADRM O=S(=O)(Cc1cccc(Cl)c1Cl)[N-]C1(C(F)(F)F)CC1 ZINC001197773408 1135736032 /nfs/dbraw/zinc/73/60/32/1135736032.db2.gz RRZCNCJLXBLIKF-UHFFFAOYSA-N -1 0 348.173 3.508 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2cc(C)c(Cl)c(Cl)c2)c1 ZINC001198012693 1135761400 /nfs/dbraw/zinc/76/14/00/1135761400.db2.gz VSKBPLRNRAZNST-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM Cc1cc(F)cc(Cl)c1[N-]S(=O)(=O)c1cccc(Cl)n1 ZINC001198233110 1135789969 /nfs/dbraw/zinc/78/99/69/1135789969.db2.gz IAEVAQCZRCWTQN-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CC(C)Oc1ncc(Cl)cc1Nc1ccc(S(=O)(=O)[O-])cc1 ZINC001203315248 1135791753 /nfs/dbraw/zinc/79/17/53/1135791753.db2.gz DQCDRDNYMSFCHU-UHFFFAOYSA-N -1 0 342.804 3.513 20 0 EHADRM Cc1cc(Nc2cc(F)c(C(=O)[O-])c(F)c2)ncc1Br ZINC001203316141 1135816351 /nfs/dbraw/zinc/81/63/51/1135816351.db2.gz JAKVZZVEUQADLF-UHFFFAOYSA-N -1 0 343.127 3.873 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)c2nccn2c1)c1ccc2occc2c1 ZINC001198826465 1135857174 /nfs/dbraw/zinc/85/71/74/1135857174.db2.gz MLKOKCDGXALHMQ-UHFFFAOYSA-N -1 0 347.783 3.535 20 0 EHADRM Cc1nc2sccc2c([N-]S(=O)(=O)c2ccc3occc3c2)n1 ZINC001198818908 1135859638 /nfs/dbraw/zinc/85/96/38/1135859638.db2.gz ULNUPFHHEGPQFE-UHFFFAOYSA-N -1 0 345.405 3.547 20 0 EHADRM COc1c([N-]S(=O)(=O)c2ccc3occc3c2)ccc(F)c1F ZINC001198869262 1135864269 /nfs/dbraw/zinc/86/42/69/1135864269.db2.gz CAWHKJUPZIDLIC-UHFFFAOYSA-N -1 0 339.319 3.520 20 0 EHADRM O=C1CCCc2cccc([N-]S(=O)(=O)c3ccc4occc4c3)c21 ZINC001198867847 1135864540 /nfs/dbraw/zinc/86/45/40/1135864540.db2.gz CGXMDRDJIRAALN-UHFFFAOYSA-N -1 0 341.388 3.753 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ccc3cccc(C)c3n2)c(C)c1 ZINC001198904970 1135868793 /nfs/dbraw/zinc/86/87/93/1135868793.db2.gz GZRHPMJGHJVDFN-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM O=C(Nc1c(Cl)ccc([O-])c1Cl)c1cccc(OC(F)F)n1 ZINC001199302685 1135893899 /nfs/dbraw/zinc/89/38/99/1135893899.db2.gz DILUQFIXJUAKPT-UHFFFAOYSA-N -1 0 349.120 3.948 20 0 EHADRM COc1ccccc1-c1ncc(C(=O)Nc2ccccc2[S-])cn1 ZINC001199326662 1135897906 /nfs/dbraw/zinc/89/79/06/1135897906.db2.gz RVZGPLIWIWZWMH-UHFFFAOYSA-N -1 0 337.404 3.693 20 0 EHADRM O=C([O-])c1c(F)cc(Nc2ccc(-c3ccccn3)nc2)cc1F ZINC001203322424 1135911842 /nfs/dbraw/zinc/91/18/42/1135911842.db2.gz DHZNBMBBCGITHF-UHFFFAOYSA-N -1 0 327.290 3.864 20 0 EHADRM Cc1cc(C)c(Nc2cc3ccccc3[nH]c2=O)c(S(=O)(=O)[O-])c1 ZINC001201759459 1136059984 /nfs/dbraw/zinc/05/99/84/1136059984.db2.gz YQWUTOKEZYMOBE-UHFFFAOYSA-N -1 0 344.392 3.548 20 0 EHADRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cccc3nccn32)c(C)c1C ZINC001201789708 1136066749 /nfs/dbraw/zinc/06/67/49/1136066749.db2.gz LXDQIQXXMKWRFA-UHFFFAOYSA-N -1 0 343.452 3.677 20 0 EHADRM O=C([O-])c1c(F)cc(Nc2cccc(Cn3cccn3)c2)cc1F ZINC001203325183 1136067142 /nfs/dbraw/zinc/06/71/42/1136067142.db2.gz YUIOHZCQJYADAJ-UHFFFAOYSA-N -1 0 329.306 3.651 20 0 EHADRM O=S(=O)([N-]c1cccs1)c1ncccc1OCc1ccccc1 ZINC001201886038 1136070197 /nfs/dbraw/zinc/07/01/97/1136070197.db2.gz ASOIERIAUXBXFA-UHFFFAOYSA-N -1 0 346.433 3.523 20 0 EHADRM O=C(Nc1ccccc1)Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1 ZINC001201955904 1136078266 /nfs/dbraw/zinc/07/82/66/1136078266.db2.gz UFEAGAOMXZVUJT-UHFFFAOYSA-N -1 0 342.376 3.731 20 0 EHADRM O=C(Nc1ccc(F)nc1)c1cc(Br)cc(Cl)c1[O-] ZINC000776232557 1136087170 /nfs/dbraw/zinc/08/71/70/1136087170.db2.gz QCHDLVNPUOIBQE-UHFFFAOYSA-N -1 0 345.555 3.595 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2ccc(Cl)c(N)c2Cl)c1 ZINC001152939659 1136091051 /nfs/dbraw/zinc/09/10/51/1136091051.db2.gz UGCSBJLZDCJIGX-UHFFFAOYSA-N -1 0 339.178 3.736 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccnc(Cl)c2C)c1 ZINC000811836491 1136143213 /nfs/dbraw/zinc/14/32/13/1136143213.db2.gz XXEVXIKEZWBKRG-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM C[C@H]1c2ccsc2CCN1C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811813730 1136144611 /nfs/dbraw/zinc/14/46/11/1136144611.db2.gz FCJNZUKJURMOQG-VIFPVBQESA-N -1 0 335.812 3.859 20 0 EHADRM CC(C)(C(=O)[N-]OC/C=C/Cl)c1ccccc1Br ZINC000812403826 1136202104 /nfs/dbraw/zinc/20/21/04/1136202104.db2.gz XFFHZYBPSIFGEU-VMPITWQZSA-N -1 0 332.625 3.527 20 0 EHADRM CC(C)COc1ccc(C(C)(C)C(=O)[N-]OC/C=C/Cl)cc1 ZINC000812405571 1136209035 /nfs/dbraw/zinc/20/90/35/1136209035.db2.gz BQVCKKKHUAZUCH-BJMVGYQFSA-N -1 0 325.836 3.799 20 0 EHADRM CCC(=O)Nc1ccccc1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000812575067 1136222956 /nfs/dbraw/zinc/22/29/56/1136222956.db2.gz OKPNJXJIWYVTAD-UHFFFAOYSA-N -1 0 336.750 3.786 20 0 EHADRM CC1=CC[C@](C)(C(=O)[N-]S(=O)(=O)c2csc3ccccc32)CC1 ZINC000851018217 1136329000 /nfs/dbraw/zinc/32/90/00/1136329000.db2.gz KHSYPTXMDBBMHH-KRWDZBQOSA-N -1 0 349.477 3.843 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@@H]1CCCC[C@@H]1C ZINC000814016397 1136386530 /nfs/dbraw/zinc/38/65/30/1136386530.db2.gz PAAVVSISQBPJRA-BHYGNILZSA-N -1 0 337.485 3.800 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)/C=C\C1CCCCC1 ZINC000814018903 1136386550 /nfs/dbraw/zinc/38/65/50/1136386550.db2.gz RYPLOWAZLTXBEV-NJWFCXLTSA-N -1 0 335.469 3.720 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCc1ccccc1C ZINC000814017725 1136386567 /nfs/dbraw/zinc/38/65/67/1136386567.db2.gz CPXHPXLMQVCXFE-GOSISDBHSA-N -1 0 345.464 3.525 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cccc(C)c1C ZINC000814018700 1136386687 /nfs/dbraw/zinc/38/66/87/1136386687.db2.gz BJGIVRPNWPPLFW-QGZVFWFLSA-N -1 0 331.437 3.514 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C(C)(C)CC(C)C ZINC000814015537 1136386767 /nfs/dbraw/zinc/38/67/67/1136386767.db2.gz FYQVSJOJRFZULS-HNNXBMFYSA-N -1 0 325.474 3.656 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000814015437 1136386788 /nfs/dbraw/zinc/38/67/88/1136386788.db2.gz FLOAVCSXLUBAGL-HZPDHXFCSA-N -1 0 337.485 3.800 20 0 EHADRM CCCCS[C@H](C)C(=O)[N-]S(=O)(=O)[C@H](CC)c1ccccc1 ZINC000814020950 1136387059 /nfs/dbraw/zinc/38/70/59/1136387059.db2.gz GCEPWUHSNBCEGP-UKRRQHHQSA-N -1 0 343.514 3.506 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)c1cccc(SC(F)(F)F)c1 ZINC000851594962 1136394889 /nfs/dbraw/zinc/39/48/89/1136394889.db2.gz DKKQEFLOILOBOI-UHFFFAOYSA-N -1 0 349.374 3.871 20 0 EHADRM Cc1ccc([C@@H](NC(=O)c2ccc(/C=C/C(=O)[O-])o2)C2CC2)cc1 ZINC000851594111 1136395044 /nfs/dbraw/zinc/39/50/44/1136395044.db2.gz GJNNQBBCKAMNAI-SXAWMYDMSA-N -1 0 325.364 3.567 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851597210 1136395227 /nfs/dbraw/zinc/39/52/27/1136395227.db2.gz ZYTDYZZTNMAMTK-VSKVDJIOSA-N -1 0 343.379 3.722 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N(Cc2ccccc2)CC2CCC2)o1 ZINC000851596267 1136395535 /nfs/dbraw/zinc/39/55/35/1136395535.db2.gz SXBAIZZXIDTJHL-ZRDIBKRKSA-N -1 0 339.391 3.820 20 0 EHADRM CC(C)Oc1ccccc1[C@@H](C)NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851602641 1136395607 /nfs/dbraw/zinc/39/56/07/1136395607.db2.gz XEIVFGYLBNKWPX-PRWOLLLXSA-N -1 0 343.379 3.656 20 0 EHADRM CCc1ccc(C(C)(C)NC(=O)c2ccc(/C=C\C(=O)[O-])o2)cc1 ZINC000851600176 1136395669 /nfs/dbraw/zinc/39/56/69/1136395669.db2.gz DBGIJXYGFLFGMK-BENRWUELSA-N -1 0 327.380 3.605 20 0 EHADRM CC(C)Oc1ccccc1[C@@H](C)NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851602643 1136395876 /nfs/dbraw/zinc/39/58/76/1136395876.db2.gz XEIVFGYLBNKWPX-YGNAEDSMSA-N -1 0 343.379 3.656 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851601305 1136395936 /nfs/dbraw/zinc/39/59/36/1136395936.db2.gz KPQKLXCZPMWDKZ-DMIOIOJGSA-N -1 0 341.407 3.779 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cccc(SC(F)(F)F)c2)CCCC1 ZINC000851605950 1136396292 /nfs/dbraw/zinc/39/62/92/1136396292.db2.gz OYBIGODDAFDEPL-UHFFFAOYSA-N -1 0 347.358 3.816 20 0 EHADRM CCN(C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)[C@H](C)C(=O)[O-] ZINC000851696865 1136399693 /nfs/dbraw/zinc/39/96/93/1136399693.db2.gz YNEWBCCPQUVKFA-YXYQAXARSA-N -1 0 349.736 3.607 20 0 EHADRM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC000851705013 1136400661 /nfs/dbraw/zinc/40/06/61/1136400661.db2.gz HSAAELYQTCVHGL-ZBFHGGJFSA-N -1 0 346.471 3.682 20 0 EHADRM O=C([O-])C1CCC(C(=O)N(Cc2cccc(F)c2)C2CCCC2)CC1 ZINC000852947769 1136493806 /nfs/dbraw/zinc/49/38/06/1136493806.db2.gz OBJRUNJHZQPJJV-UHFFFAOYSA-N -1 0 347.430 3.988 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cccc(SC(F)(F)F)c1 ZINC000852944566 1136493843 /nfs/dbraw/zinc/49/38/43/1136493843.db2.gz IWFSQDFLIDDELV-GXSJLCMTSA-N -1 0 347.358 3.624 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc2)nc1 ZINC000852950457 1136494130 /nfs/dbraw/zinc/49/41/30/1136494130.db2.gz KVPQAWKKMHFKMR-MRXNPFEDSA-N -1 0 342.395 3.868 20 0 EHADRM O=C([O-])[C@H]1Cc2nc3cc(Cl)ccc3c([C@H]3CCCOC3)c2C1 ZINC000853001795 1136496859 /nfs/dbraw/zinc/49/68/59/1136496859.db2.gz AELLLAYVEWIOAD-WDEREUQCSA-N -1 0 331.799 3.582 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C1CCCCCC1)c1ccc(F)cc1F ZINC000776658252 1136526881 /nfs/dbraw/zinc/52/68/81/1136526881.db2.gz HJBOWKCNXFLVSF-HNNXBMFYSA-N -1 0 325.355 3.567 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)/C=C\c1ccccc1Cl ZINC000776672490 1136528771 /nfs/dbraw/zinc/52/87/71/1136528771.db2.gz HGMRWQWKHGOAFJ-MQNTZWLQSA-N -1 0 343.810 3.994 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCCSC[C@H]1C(F)(F)F ZINC001135018952 1136592630 /nfs/dbraw/zinc/59/26/30/1136592630.db2.gz PIAKDFLHLMRJNU-JTQLQIEISA-N -1 0 339.766 3.556 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CCC[C@@H](O)c2ccccc2)c1 ZINC000854576085 1136628932 /nfs/dbraw/zinc/62/89/32/1136628932.db2.gz JIFQRWCERIRIIW-GOSISDBHSA-N -1 0 341.407 3.827 20 0 EHADRM CC[C@H](C)CO[N-]C(=O)C(=O)Nc1ccc(-c2ccccc2)cc1C ZINC000815710977 1136631806 /nfs/dbraw/zinc/63/18/06/1136631806.db2.gz AOACEIDDNMRQJA-AWEZNQCLSA-N -1 0 340.423 3.694 20 0 EHADRM CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000815711112 1136631856 /nfs/dbraw/zinc/63/18/56/1136631856.db2.gz FUYJHAJBVCPLLT-CQSZACIVSA-N -1 0 342.395 3.511 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccoc1C1CC1 ZINC000816108187 1136677216 /nfs/dbraw/zinc/67/72/16/1136677216.db2.gz ALPIUHMQBYRMGP-KRWDZBQOSA-N -1 0 347.436 3.614 20 0 EHADRM Cc1ccc(C(=O)[N-]S(=O)(=O)[C@H](c2ccccc2)C(C)C)c(F)c1 ZINC000816107121 1136677234 /nfs/dbraw/zinc/67/72/34/1136677234.db2.gz CRYUFCDKAQAGLU-KRWDZBQOSA-N -1 0 349.427 3.591 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)/C=C1/CC[C@@H](C)C1 ZINC000816113020 1136677484 /nfs/dbraw/zinc/67/74/84/1136677484.db2.gz IIBVGTRQDOIVFM-WBUVLBJKSA-N -1 0 335.469 3.576 20 0 EHADRM Cc1cccc(C(=O)[N-]S(=O)(=O)[C@H](c2ccccc2)C(C)C)c1C ZINC000816113081 1136677527 /nfs/dbraw/zinc/67/75/27/1136677527.db2.gz KBEACABBXQHQON-SFHVURJKSA-N -1 0 345.464 3.760 20 0 EHADRM Cc1ccsc1C(=O)[N-]S(=O)(=O)[C@@H](c1ccccc1)C(C)C ZINC000816109332 1136677747 /nfs/dbraw/zinc/67/77/47/1136677747.db2.gz AIXQEDPZPUQDIU-OAHLLOKOSA-N -1 0 337.466 3.513 20 0 EHADRM CC(C)Oc1ccccc1CNC(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000816894449 1136762015 /nfs/dbraw/zinc/76/20/15/1136762015.db2.gz CUVQKLNJOHCTFK-UHFFFAOYSA-N -1 0 342.420 3.834 20 0 EHADRM O=C(CCc1cc(Cl)cc(Cl)c1)N=c1ccc(C2CC2)n[n-]1 ZINC000429532645 1136786931 /nfs/dbraw/zinc/78/69/31/1136786931.db2.gz ZIHCTIKBPPOFFE-UHFFFAOYSA-N -1 0 336.222 3.654 20 0 EHADRM CC(C)(C)c1n[n-]c(=NCc2ccsc2Br)s1 ZINC000509495635 1136814032 /nfs/dbraw/zinc/81/40/32/1136814032.db2.gz OXJCHJYLKAHMSD-UHFFFAOYSA-N -1 0 332.292 3.694 20 0 EHADRM CCc1cccc(C(=O)N(OC)[C@@H]2CCCOc3ccccc32)c1O ZINC000857470537 1136874461 /nfs/dbraw/zinc/87/44/61/1136874461.db2.gz JNMFVIGRGLTKLV-QGZVFWFLSA-N -1 0 341.407 3.872 20 0 EHADRM CSc1ccc(O)c(C(=O)Nc2ccc(N3CCCC3)cc2)c1 ZINC001136154540 1136888546 /nfs/dbraw/zinc/88/85/46/1136888546.db2.gz DHZAZAKVBVFNKY-UHFFFAOYSA-N -1 0 328.437 3.967 20 0 EHADRM Cc1c(Cl)cccc1NC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000818788179 1136889555 /nfs/dbraw/zinc/88/95/55/1136889555.db2.gz NEOHLTWCLWYVRJ-UHFFFAOYSA-N -1 0 342.782 3.940 20 0 EHADRM O=c1cc(CC2CCC2)[n-]n1-c1cc(F)ccc1Br ZINC001245937005 1136951753 /nfs/dbraw/zinc/95/17/53/1136951753.db2.gz OBYYJCASOPXXTD-UHFFFAOYSA-N -1 0 325.181 3.822 20 0 EHADRM CCOc1ccc(NC(=O)c2cc(F)cc(F)c2[O-])cc1Cl ZINC001136292449 1136970009 /nfs/dbraw/zinc/97/00/09/1136970009.db2.gz KBBRXGVNXARAGZ-UHFFFAOYSA-N -1 0 327.714 3.975 20 0 EHADRM CCC1CCC(CNC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])CC1 ZINC001136346067 1136996760 /nfs/dbraw/zinc/99/67/60/1136996760.db2.gz VAPOJIYXHVHMRX-UHFFFAOYSA-N -1 0 345.418 3.663 20 0 EHADRM CCCCN(C(=O)Cc1cc(=O)n(CC(C)C)[n-]1)[C@@H]1CCC[C@@H](C)C1 ZINC000820708837 1137002407 /nfs/dbraw/zinc/00/24/07/1137002407.db2.gz XMQXFSDLDSKZJW-SJLPKXTDSA-N -1 0 349.519 3.582 20 0 EHADRM Cc1ccc(OCCNC(=O)c2ccc3ccccc3c2O)c(C)c1 ZINC001136515030 1137044316 /nfs/dbraw/zinc/04/43/16/1137044316.db2.gz BOQPIRLBBIRXNU-UHFFFAOYSA-N -1 0 335.403 3.971 20 0 EHADRM O=c1cc(CN2CCc3sccc3C2)c2cc(Cl)c([O-])cc2o1 ZINC000822093704 1137049494 /nfs/dbraw/zinc/04/94/94/1137049494.db2.gz GJQZOHGJRCHGOW-UHFFFAOYSA-N -1 0 347.823 3.772 20 0 EHADRM O=C(Nc1ccc(-n2cccn2)c(Cl)c1)c1cc(F)cc(F)c1[O-] ZINC001136582741 1137057336 /nfs/dbraw/zinc/05/73/36/1137057336.db2.gz SPTQVOWHQDLKNJ-UHFFFAOYSA-N -1 0 349.724 3.762 20 0 EHADRM Cc1cc(=O)c(COC(=O)C2(c3ccccc3)CCCCCC2)n[n-]1 ZINC000860667543 1137072078 /nfs/dbraw/zinc/07/20/78/1137072078.db2.gz FWFKNTZWXXEZLP-UHFFFAOYSA-N -1 0 340.423 3.826 20 0 EHADRM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000823025938 1137084851 /nfs/dbraw/zinc/08/48/51/1137084851.db2.gz VUNAXLPSVOTZTM-SJORKVTESA-N -1 0 349.390 3.552 20 0 EHADRM CCCCCCOc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000823340748 1137095798 /nfs/dbraw/zinc/09/57/98/1137095798.db2.gz RQPBVMDNJKABNG-CRAIPNDOSA-N -1 0 347.455 3.829 20 0 EHADRM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CCC[C@@H]1[C@H]1CCCOC1 ZINC000823417122 1137096957 /nfs/dbraw/zinc/09/69/57/1137096957.db2.gz HOLYUQCNOMOYND-IINYFYTJSA-N -1 0 344.238 3.730 20 0 EHADRM CCCCCN(Cc1ccc(Cl)cc1)C(=O)c1n[nH]c(C)c1[O-] ZINC001136860055 1137133270 /nfs/dbraw/zinc/13/32/70/1137133270.db2.gz IMCZFVIFLKNKQS-UHFFFAOYSA-N -1 0 335.835 3.910 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)N3CCCC(F)(F)CC3)c([O-])c2)o1 ZINC000824899251 1137156051 /nfs/dbraw/zinc/15/60/51/1137156051.db2.gz VOZKIEYPTUFRDI-UHFFFAOYSA-N -1 0 349.333 3.726 20 0 EHADRM CCCC(O)(CCC)CNC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001136963532 1137157459 /nfs/dbraw/zinc/15/74/59/1137157459.db2.gz AUYQZPVFMNIIJM-UHFFFAOYSA-N -1 0 334.243 3.760 20 0 EHADRM COc1ccc([C@@H]2CCCN2C(=O)c2cccc(F)c2[O-])cc1F ZINC000825250540 1137170663 /nfs/dbraw/zinc/17/06/63/1137170663.db2.gz ASZMOOCFTGPUFH-HNNXBMFYSA-N -1 0 333.334 3.656 20 0 EHADRM O=C(Nc1ccccc1[S-])[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC001143650022 1137186671 /nfs/dbraw/zinc/18/66/71/1137186671.db2.gz XYWVAIPQCVAPHS-ZDUSSCGKSA-N -1 0 327.327 3.666 20 0 EHADRM O=C([O-])c1nnc2ccccc2c1N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863480769 1137188770 /nfs/dbraw/zinc/18/87/70/1137188770.db2.gz RPZZHIQGKKONRT-BHYGNILZSA-N -1 0 345.402 3.568 20 0 EHADRM CC(C)(CC(=O)N[C@H](CC(=O)[O-])c1cccs1)c1ccc(F)cc1 ZINC000864100686 1137214995 /nfs/dbraw/zinc/21/49/95/1137214995.db2.gz VMPRWYMZGUTXHO-CQSZACIVSA-N -1 0 349.427 3.887 20 0 EHADRM C[C@H](CCc1ccc(F)cc1)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000864100692 1137215086 /nfs/dbraw/zinc/21/50/86/1137215086.db2.gz VNZBHKVRBMOQEK-IUODEOHRSA-N -1 0 349.427 3.788 20 0 EHADRM COc1ccc([C@H](C)N(C)C(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000864102943 1137215114 /nfs/dbraw/zinc/21/51/14/1137215114.db2.gz REOXVFDCIRUXSS-ZDUSSCGKSA-N -1 0 327.380 3.535 20 0 EHADRM CC(C)Oc1ccc([C@H](C)NC(=O)/C=C\c2cc(C(=O)[O-])co2)cc1 ZINC000864106523 1137215326 /nfs/dbraw/zinc/21/53/26/1137215326.db2.gz LZMYRTKRFBYSAF-YXVBKTCISA-N -1 0 343.379 3.656 20 0 EHADRM C[C@@H]1CCN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)[C@@H](c2ccco2)C1 ZINC000864113248 1137215668 /nfs/dbraw/zinc/21/56/68/1137215668.db2.gz NTQIKUPCNVZDJA-OJWNKBRNSA-N -1 0 329.352 3.584 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)/C=C/c2cc(C(=O)[O-])co2)c1C ZINC000864112370 1137215717 /nfs/dbraw/zinc/21/57/17/1137215717.db2.gz WSXXGLZDVBPUBD-BLGFXRMMSA-N -1 0 339.391 3.972 20 0 EHADRM O=C([O-])CCCCCCNC(=O)/C=C/c1ccsc1C(F)(F)F ZINC000864120523 1137216035 /nfs/dbraw/zinc/21/60/35/1137216035.db2.gz AFHJVKXGEOJVMY-VOTSOKGWSA-N -1 0 349.374 3.931 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)CCc1cccc2ccccc21 ZINC000864156294 1137217409 /nfs/dbraw/zinc/21/74/09/1137217409.db2.gz SOUBOFZBMFDDNA-XLIONFOSSA-N -1 0 325.408 3.532 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)CCc1ccc(F)c2ccccc12)CC1CC1 ZINC000864150466 1137217423 /nfs/dbraw/zinc/21/74/23/1137217423.db2.gz FUSJGOYNWFSNEI-OAHLLOKOSA-N -1 0 343.398 3.529 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)o1 ZINC000864177048 1137217942 /nfs/dbraw/zinc/21/79/42/1137217942.db2.gz DNYJMVRUYGONSC-WQHRRFGKSA-N -1 0 339.391 3.834 20 0 EHADRM Cc1ccc(C[C@]2(C)CCCN2C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000864195109 1137218611 /nfs/dbraw/zinc/21/86/11/1137218611.db2.gz XYEXFVKLDZJORT-OPYAIIAOSA-N -1 0 343.467 3.810 20 0 EHADRM C[C@]12CC3CC(C(=O)NCc4cc(C(=O)[O-])co4)(C1)C[C@@](C)(C3)C2 ZINC000864193892 1137218617 /nfs/dbraw/zinc/21/86/17/1137218617.db2.gz WYZMMPIYDSEGKC-CMXJYWLISA-N -1 0 331.412 3.591 20 0 EHADRM O=C([O-])C1CC(NC(=O)c2ccccc2SCc2cccs2)C1 ZINC000864204992 1137218769 /nfs/dbraw/zinc/21/87/69/1137218769.db2.gz YPECMFRQHAKMDE-UHFFFAOYSA-N -1 0 347.461 3.633 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)[C@H]1C[C@H]1c1cccc2ccccc21)C1CC1 ZINC000864200425 1137218847 /nfs/dbraw/zinc/21/88/47/1137218847.db2.gz XZLIHPNDGXAXNH-BBTUJRGHSA-N -1 0 337.419 3.703 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21)C1CC1 ZINC000864200427 1137218878 /nfs/dbraw/zinc/21/88/78/1137218878.db2.gz XZLIHPNDGXAXNH-LVCYWYKZSA-N -1 0 337.419 3.703 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)CC1CCC(C(F)(F)F)CC1)C1CC1 ZINC000864203726 1137218905 /nfs/dbraw/zinc/21/89/05/1137218905.db2.gz HQMMBERYGIYFMD-MBRGGSNBSA-N -1 0 335.366 3.505 20 0 EHADRM CC1(C)[C@H](c2ccccc2F)CCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000864216782 1137219114 /nfs/dbraw/zinc/21/91/14/1137219114.db2.gz IXFXAAINFOEGAV-INIZCTEOSA-N -1 0 341.382 3.932 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(OC(C)C)cc2)c1 ZINC000864230070 1137219581 /nfs/dbraw/zinc/21/95/81/1137219581.db2.gz ZXZMINKRRWDQLF-GOSISDBHSA-N -1 0 341.407 3.728 20 0 EHADRM Cc1sc(C)c2c1[n-]c(-c1cnc3c(c1)CCCC3=O)nc2=O ZINC000864354826 1137223087 /nfs/dbraw/zinc/22/30/87/1137223087.db2.gz IZILPYCQFLMACF-UHFFFAOYSA-N -1 0 325.393 3.595 20 0 EHADRM COc1ccc(CN[C@@H](C)c2nc(C(=O)[O-])cs2)cc1C(C)(C)C ZINC000864514832 1137231377 /nfs/dbraw/zinc/23/13/77/1137231377.db2.gz BHVLIOLUXATAJW-NSHDSACASA-N -1 0 348.468 3.998 20 0 EHADRM CCc1ccccc1[C@H](CC(=O)[O-])NCc1csc(C2CC2)n1 ZINC000864527508 1137232632 /nfs/dbraw/zinc/23/26/32/1137232632.db2.gz DREXERFBUNMJDG-INIZCTEOSA-N -1 0 330.453 3.889 20 0 EHADRM COc1ccc(-c2ccc(C3(O)CCC3)cc2)cc1C1(C(=O)[O-])CC1 ZINC000864612023 1137236664 /nfs/dbraw/zinc/23/66/64/1137236664.db2.gz IPMKBZGWCNHLEQ-UHFFFAOYSA-N -1 0 338.403 3.850 20 0 EHADRM CCc1nc(Cl)c(C)c(N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)n1 ZINC000844931738 1137263724 /nfs/dbraw/zinc/26/37/24/1137263724.db2.gz VMYJZBSPJZYUEQ-STQMWFEESA-N -1 0 331.803 3.726 20 0 EHADRM Cc1ccccc1[C@H](O)C(=O)Nc1ccc2[n-]c(=S)sc2c1 ZINC001144532826 1137306258 /nfs/dbraw/zinc/30/62/58/1137306258.db2.gz XLJSHOWVHHEHFW-AWEZNQCLSA-N -1 0 330.434 3.566 20 0 EHADRM C[C@H]1CCC[C@H](C)N1C(=O)c1cc(Br)cc(F)c1[O-] ZINC001144543959 1137307695 /nfs/dbraw/zinc/30/76/95/1137307695.db2.gz INENOCWIUARVKF-IUCAKERBSA-N -1 0 330.197 3.697 20 0 EHADRM CC(C)n1ccc([N-]S(=O)(=O)/C=C/c2cccc(Cl)c2)n1 ZINC000794880838 1137319933 /nfs/dbraw/zinc/31/99/33/1137319933.db2.gz AXNWYZKPURXAHD-VQHVLOKHSA-N -1 0 325.821 3.530 20 0 EHADRM O=C([O-])c1ccsc1CN1CCOC[C@H]1c1ccc(Cl)cc1 ZINC001144680983 1137328738 /nfs/dbraw/zinc/32/87/38/1137328738.db2.gz YQDSDXQTYCOADS-AWEZNQCLSA-N -1 0 337.828 3.673 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1C[C@H]1C1CCCC1)c1cccc(Cl)c1 ZINC000846117441 1137334220 /nfs/dbraw/zinc/33/42/20/1137334220.db2.gz PYTCCOLOCSKWJY-JYJNAYRXSA-N -1 0 335.831 3.798 20 0 EHADRM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2nn(-c3ccccc3F)cc2[O-])C1 ZINC001144745649 1137342009 /nfs/dbraw/zinc/34/20/09/1137342009.db2.gz IVEVBMWYLFYFML-ZIAGYGMSSA-N -1 0 345.418 3.662 20 0 EHADRM S=c1[n-]c2cc(NCCC3CCC4(CC3)OCCO4)ccc2o1 ZINC001171223679 1137349720 /nfs/dbraw/zinc/34/97/20/1137349720.db2.gz XAMFMFJNXXZMHV-UHFFFAOYSA-N -1 0 334.441 3.852 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc3[n-]c(=S)oc3c2)CCc2ccccc21 ZINC000846514836 1137354226 /nfs/dbraw/zinc/35/42/26/1137354226.db2.gz ZMUMAHRFPIAIAL-GFCCVEGCSA-N -1 0 338.432 3.919 20 0 EHADRM CO[C@@H](CNC(=O)c1cc(Cl)c2ccccc2c1[O-])C(F)(F)F ZINC001145060015 1137384318 /nfs/dbraw/zinc/38/43/18/1137384318.db2.gz VOGSSCHFXVHTSF-LBPRGKRZSA-N -1 0 347.720 3.506 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCS[C@@H](c2ccccc2)C1 ZINC001145094785 1137385849 /nfs/dbraw/zinc/38/58/49/1137385849.db2.gz OUVHKSLFFRNXMW-MRXNPFEDSA-N -1 0 333.840 3.976 20 0 EHADRM O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1ccc(Cl)c([O-])c1 ZINC001146398537 1137390055 /nfs/dbraw/zinc/39/00/55/1137390055.db2.gz IUPUVMJYMJHAGF-CQSZACIVSA-N -1 0 348.805 3.584 20 0 EHADRM CSc1cc(C)nc(SC)c1[N-]C(=O)c1cc(F)ncc1F ZINC001146963469 1137398110 /nfs/dbraw/zinc/39/81/10/1137398110.db2.gz VRPBVTOJSOGDEK-UHFFFAOYSA-N -1 0 341.408 3.759 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)C1([C@@H]2CCCCO2)CCC1 ZINC000868332728 1137406635 /nfs/dbraw/zinc/40/66/35/1137406635.db2.gz SEZKMFXZTGGPIP-AWEZNQCLSA-N -1 0 327.783 3.863 20 0 EHADRM CC1(C)CCC[C@](O)(CNC(=O)c2ccc3[n-]c(=S)oc3c2)CC1 ZINC001171304941 1137406890 /nfs/dbraw/zinc/40/68/90/1137406890.db2.gz DRIPASLDQYNVTQ-GOSISDBHSA-N -1 0 348.468 3.568 20 0 EHADRM CCc1oc(C(=O)Nc2ccc(-c3cnc(C)o3)cc2)cc1C(=O)[O-] ZINC000339086607 1137434318 /nfs/dbraw/zinc/43/43/18/1137434318.db2.gz CFMNQAFROYUJQG-UHFFFAOYSA-N -1 0 340.335 3.756 20 0 EHADRM O=C(Nc1ccc2c(c1)OCO2)c1cc(Cl)cc(Cl)c1[O-] ZINC001148805957 1137435398 /nfs/dbraw/zinc/43/53/98/1137435398.db2.gz JTALXBQQFJHVBG-UHFFFAOYSA-N -1 0 326.135 3.680 20 0 EHADRM Cc1ccc(NC(=O)N[C@H](CCF)C(=O)[O-])cc1-c1ccsc1 ZINC000871615684 1137549422 /nfs/dbraw/zinc/54/94/22/1137549422.db2.gz SNQOKXRYPPZGFO-CQSZACIVSA-N -1 0 336.388 3.658 20 0 EHADRM COc1c(F)cccc1S(=O)(=O)[N-]c1nc(C(C)C)c(C)s1 ZINC000872006586 1137564419 /nfs/dbraw/zinc/56/44/19/1137564419.db2.gz LFYRNKRRCSQNME-UHFFFAOYSA-N -1 0 344.433 3.523 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(Cl)c(F)c2)noc1C(C)(C)C ZINC000872009401 1137564430 /nfs/dbraw/zinc/56/44/30/1137564430.db2.gz XXIASRPQJFZPFU-UHFFFAOYSA-N -1 0 346.811 3.874 20 0 EHADRM O=C([O-])[C@H](c1cccc(Cl)c1Cl)[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000872163267 1137574661 /nfs/dbraw/zinc/57/46/61/1137574661.db2.gz BPPLJQSFVPYHDL-RULNRJAQSA-N -1 0 346.279 3.804 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2C(C)(F)F)sn1 ZINC000872405036 1137579392 /nfs/dbraw/zinc/57/93/92/1137579392.db2.gz IEFUKAYCAVXZOP-UHFFFAOYSA-N -1 0 336.360 3.503 20 0 EHADRM Cc1cc([C@H]2CCN(C(=O)c3cccc(F)c3[O-])C2)c(O)cc1Cl ZINC000825606157 1137580422 /nfs/dbraw/zinc/58/04/22/1137580422.db2.gz RSQXTFHPSXHHBE-NSHDSACASA-N -1 0 349.789 3.828 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)c1 ZINC000872740355 1137583648 /nfs/dbraw/zinc/58/36/48/1137583648.db2.gz WHFYUAHGZVFYNX-IKGGRYGDSA-N -1 0 345.439 3.579 20 0 EHADRM C[C@H](NC(=O)C(C)(C)CCC(=O)[O-])c1cccc(OC(F)(F)F)c1 ZINC000872849104 1137585479 /nfs/dbraw/zinc/58/54/79/1137585479.db2.gz AEQTYXFUEPAXGW-JTQLQIEISA-N -1 0 347.333 3.653 20 0 EHADRM CC(C)(CCC(=O)[O-])C(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1 ZINC000872920523 1137586567 /nfs/dbraw/zinc/58/65/67/1137586567.db2.gz XEKPQHOCPGDENQ-UHFFFAOYSA-N -1 0 329.400 3.660 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2C(=O)C(C)(C)SCC(=O)[O-])cc1 ZINC000872932142 1137586673 /nfs/dbraw/zinc/58/66/73/1137586673.db2.gz LTSJOIUXAPKPCM-HNNXBMFYSA-N -1 0 335.469 3.645 20 0 EHADRM Cc1cccc(OCCCNC(=O)c2c(C)ccc(C)c2C(=O)[O-])c1 ZINC000872943473 1137586771 /nfs/dbraw/zinc/58/67/71/1137586771.db2.gz GVVGYTFEOZMSHO-UHFFFAOYSA-N -1 0 341.407 3.509 20 0 EHADRM CC(C)(NC(=O)[C@@](C)(CC(=O)[O-])c1ccsc1)c1ccc(F)cc1 ZINC000872948421 1137586850 /nfs/dbraw/zinc/58/68/50/1137586850.db2.gz DJFPGVWFXVKHOS-SFHVURJKSA-N -1 0 349.427 3.671 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000873000927 1137587709 /nfs/dbraw/zinc/58/77/09/1137587709.db2.gz AZLAMDZVUTZMTP-DTWKUNHWSA-N -1 0 332.158 3.738 20 0 EHADRM CC(C)(CNC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1)C(C)(F)F ZINC000872999401 1137587748 /nfs/dbraw/zinc/58/77/48/1137587748.db2.gz HLHLIKCCVUDRKF-MRXNPFEDSA-N -1 0 333.419 3.845 20 0 EHADRM Cc1sc(N2CC[C@H](C(=O)[O-])[C@H](C)C2)nc1-c1ccc(F)cc1 ZINC000873061136 1137589228 /nfs/dbraw/zinc/58/92/28/1137589228.db2.gz HMLOTDLDYGUDNJ-YGRLFVJLSA-N -1 0 334.416 3.805 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)N(Cc1ccco1)C1CCCC1 ZINC000874410424 1137613768 /nfs/dbraw/zinc/61/37/68/1137613768.db2.gz TWWUSMJDWSDOIC-UHFFFAOYSA-N -1 0 342.395 3.632 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)NCCCCC2CC2)CC1 ZINC000874420056 1137613865 /nfs/dbraw/zinc/61/38/65/1137613865.db2.gz XNRPQGMOGDYEPK-UHFFFAOYSA-N -1 0 344.455 3.854 20 0 EHADRM O=Cc1cc(-c2ccc(Cl)cc2Cl)ccc1OCC(=O)[O-] ZINC000874969075 1137627221 /nfs/dbraw/zinc/62/72/21/1137627221.db2.gz BHHLQYJJQNDVFK-UHFFFAOYSA-N -1 0 325.147 3.936 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000825777637 1137631213 /nfs/dbraw/zinc/63/12/13/1137631213.db2.gz AAJGLHFPDDKVSF-KSSFIOAISA-N -1 0 338.407 3.724 20 0 EHADRM CC(C)CN(Cc1nc2c(c(=O)[nH]1)COCC2)c1ccc(Cl)cc1 ZINC000878271359 1137709289 /nfs/dbraw/zinc/70/92/89/1137709289.db2.gz GFJYIRVHOLEWOL-UHFFFAOYSA-N -1 0 347.846 3.571 20 0 EHADRM C[N@H+](CCCSC(C)(C)C)Cc1nc(=O)c2sccc2[n-]1 ZINC000878443861 1137716103 /nfs/dbraw/zinc/71/61/03/1137716103.db2.gz UHPYFBZKKQEDAZ-UHFFFAOYSA-N -1 0 325.503 3.751 20 0 EHADRM O=C(NO[C@H]1CCCCO1)Nc1ncc(-c2ccccc2F)s1 ZINC000888769146 1137743548 /nfs/dbraw/zinc/74/35/48/1137743548.db2.gz NHKORRSYIZLBOV-ZDUSSCGKSA-N -1 0 337.376 3.529 20 0 EHADRM O=C(CC[C@H]1CCc2ccccc21)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000879901048 1137762055 /nfs/dbraw/zinc/76/20/55/1137762055.db2.gz KXBZVMYUYWDVSA-CQSZACIVSA-N -1 0 348.406 3.626 20 0 EHADRM COc1ccc2c(c1)CC[C@@H](C(=O)Nc1cc(Cl)c([O-])cc1F)C2 ZINC000879983324 1137763841 /nfs/dbraw/zinc/76/38/41/1137763841.db2.gz ZAJOKVCACHEWGF-GFCCVEGCSA-N -1 0 349.789 3.937 20 0 EHADRM CC(C)c1ncsc1[N-]S(=O)(=O)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000882735811 1137832969 /nfs/dbraw/zinc/83/29/69/1137832969.db2.gz UZTNJFVCSSGQCF-QWHCGFSZSA-N -1 0 340.445 3.703 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]C(=O)[C@@H](C)c2ccccc2F)c1 ZINC000130016660 1137833410 /nfs/dbraw/zinc/83/34/10/1137833410.db2.gz GLNJUXJQSGPYFE-ZDUSSCGKSA-N -1 0 349.427 3.558 20 0 EHADRM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c1 ZINC000130399914 1137836931 /nfs/dbraw/zinc/83/69/31/1137836931.db2.gz JLKLRBWFBAFKTN-UHFFFAOYSA-N -1 0 345.754 3.622 20 0 EHADRM Cc1c2ccccc2oc1C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1 ZINC000131589300 1137856922 /nfs/dbraw/zinc/85/69/22/1137856922.db2.gz HHBWQPPZVGVNFK-ZDUSSCGKSA-N -1 0 343.404 3.562 20 0 EHADRM O=C([O-])[C@@H]1CCN(C[C@H]2CC[C@@H](c3ccccc3)O2)c2ccccc21 ZINC000883407158 1137859995 /nfs/dbraw/zinc/85/99/95/1137859995.db2.gz MRQGKTQDLBQQCO-POAQFYNOSA-N -1 0 337.419 3.985 20 0 EHADRM O=C(Nc1cccc2cc(S(=O)(=O)[O-])ccc21)NC1CCCCC1 ZINC001202615003 1137885459 /nfs/dbraw/zinc/88/54/59/1137885459.db2.gz ITDVJKSGMLMNDY-UHFFFAOYSA-N -1 0 348.424 3.541 20 0 EHADRM C[C@H](NC(=O)c1s[n-]c(=O)c1Cl)c1ccc2c(c1)CCCC2 ZINC000282882666 1137897318 /nfs/dbraw/zinc/89/73/18/1137897318.db2.gz FJXDJPZQALMZOV-VIFPVBQESA-N -1 0 336.844 3.872 20 0 EHADRM CCCCO[C@H]1C[C@H](N(C)C(=O)c2s[n-]c(=O)c2Cl)C1(C)C ZINC000331751682 1137919237 /nfs/dbraw/zinc/91/92/37/1137919237.db2.gz GCCGGOQOGOUYAV-UWVGGRQHSA-N -1 0 346.880 3.558 20 0 EHADRM CC1(C)CCCc2sc([N-]S(=O)(=O)c3ccsc3)nc21 ZINC000331818801 1137921876 /nfs/dbraw/zinc/92/18/76/1137921876.db2.gz YXGAQAXNUVAKGF-UHFFFAOYSA-N -1 0 328.484 3.619 20 0 EHADRM CCCn1nc(C)c(C(=O)Nc2ccc3[n-]c(=S)oc3c2)c1C ZINC000121122595 1137955234 /nfs/dbraw/zinc/95/52/34/1137955234.db2.gz HBDQTPNFTBXZCC-UHFFFAOYSA-N -1 0 330.413 3.592 20 0 EHADRM CC1(C)C[C@H](c2ccccc2)CN1C(=O)c1s[n-]c(=O)c1Cl ZINC000885235049 1137990473 /nfs/dbraw/zinc/99/04/73/1137990473.db2.gz VXZLEZCUDOPOEM-NSHDSACASA-N -1 0 336.844 3.910 20 0 EHADRM O=C(c1ccc(O)cc1)C1CCN(CCSC(F)(F)F)CC1 ZINC000886049031 1138035113 /nfs/dbraw/zinc/03/51/13/1138035113.db2.gz DPYQLYYYBIOIOT-UHFFFAOYSA-N -1 0 333.375 3.540 20 0 EHADRM CCSCc1cccnc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000886444846 1138078706 /nfs/dbraw/zinc/07/87/06/1138078706.db2.gz MJSYUJSGLAJWCD-UHFFFAOYSA-N -1 0 348.902 3.850 20 0 EHADRM O=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccc([O-])c(Cl)c1 ZINC000072622455 1138106516 /nfs/dbraw/zinc/10/65/16/1138106516.db2.gz CJENTEGYKHFYLR-OAHLLOKOSA-N -1 0 348.830 3.596 20 0 EHADRM Cc1ccc([C@H]2CCCCCN2C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])o1 ZINC000887306675 1138259922 /nfs/dbraw/zinc/25/99/22/1138259922.db2.gz YUUNEEVWSWNKPZ-SQDXWYPISA-N -1 0 343.423 3.555 20 0 EHADRM C[C@@](CC(=O)NC1(C2CC2)CCC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000887323838 1138265875 /nfs/dbraw/zinc/26/58/75/1138265875.db2.gz JHYZCJLMZZDEQP-KRWDZBQOSA-N -1 0 335.831 3.521 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1C(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1 ZINC000887382438 1138294577 /nfs/dbraw/zinc/29/45/77/1138294577.db2.gz IARSZTIUTPZQJI-RYUDHWBXSA-N -1 0 348.296 3.731 20 0 EHADRM Cc1cc(F)ncc1Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1 ZINC001212816604 1138390168 /nfs/dbraw/zinc/39/01/68/1138390168.db2.gz AOJHKFLOABYVSS-UHFFFAOYSA-N -1 0 332.356 3.673 20 0 EHADRM O=C(c1ccc2oc(=O)nc-2[n-]1)N1CCC(CC2CCCCC2)CC1 ZINC000887623277 1138563645 /nfs/dbraw/zinc/56/36/45/1138563645.db2.gz ANQADKVYJIRBFG-UHFFFAOYSA-N -1 0 343.427 3.751 20 0 EHADRM COc1ccccc1[C@H]1CCN(C(=O)c2ccc([O-])c(Cl)c2)C1 ZINC000133292717 1138631287 /nfs/dbraw/zinc/63/12/87/1138631287.db2.gz CPZRLYUDMYFKEQ-ZDUSSCGKSA-N -1 0 331.799 3.684 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)N(CC(=O)[O-])c2ccccc2)o1 ZINC000337699767 1138646422 /nfs/dbraw/zinc/64/64/22/1138646422.db2.gz BANTWZRHEBUXQE-SYAUCNOPSA-N -1 0 339.391 3.624 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2C)ccc1F ZINC000337790203 1138668720 /nfs/dbraw/zinc/66/87/20/1138668720.db2.gz ASKBYGRIAKSAML-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM Cc1ccc([C@H]2OCCC[C@@H]2N=c2[n-]nc(C(F)F)s2)cc1 ZINC000337870008 1138686527 /nfs/dbraw/zinc/68/65/27/1138686527.db2.gz NETBUFMMTFQTFE-NWDGAFQWSA-N -1 0 325.384 3.538 20 0 EHADRM CO[C@@H](C)c1nc(=NCCSc2ccc(Cl)cc2)s[n-]1 ZINC000337906429 1138695880 /nfs/dbraw/zinc/69/58/80/1138695880.db2.gz CRKLAFPEJZAKIP-VIFPVBQESA-N -1 0 329.878 3.525 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(Cl)cc2O)c1 ZINC000338222226 1138792398 /nfs/dbraw/zinc/79/23/98/1138792398.db2.gz ZPCLISPQOOMUPO-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000137292962 1138844270 /nfs/dbraw/zinc/84/42/70/1138844270.db2.gz APRHNJGADSXIOS-JTQLQIEISA-N -1 0 335.835 3.797 20 0 EHADRM O=c1nc(CN2CC3(CCC3)c3c2cccc3F)[n-]c2ccsc21 ZINC000338429533 1138910722 /nfs/dbraw/zinc/91/07/22/1138910722.db2.gz LTFDDDXBFMFFNB-UHFFFAOYSA-N -1 0 341.411 3.978 20 0 EHADRM CCCCC[C@H](C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1)C(C)C ZINC000152984911 1139117565 /nfs/dbraw/zinc/11/75/65/1139117565.db2.gz NXWZJYQAMGRQDD-ZDUSSCGKSA-N -1 0 349.500 3.796 20 0 EHADRM CC(C)Oc1ccc(NC(=O)CSc2n[n-]c(=S)s2)cc1 ZINC000175010050 1139456605 /nfs/dbraw/zinc/45/66/05/1139456605.db2.gz MZEZSWAUDGVWLG-UHFFFAOYSA-N -1 0 341.483 3.719 20 0 EHADRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(CCC(F)(F)F)cc1 ZINC000175776407 1139517835 /nfs/dbraw/zinc/51/78/35/1139517835.db2.gz YELJLPIJNBONCD-UHFFFAOYSA-N -1 0 348.346 3.587 20 0 EHADRM COc1c(C)ccc(NC(=O)CSc2n[n-]c(=S)s2)c1C ZINC000176002496 1139533845 /nfs/dbraw/zinc/53/38/45/1139533845.db2.gz HWNNQQVYPLZLCG-UHFFFAOYSA-N -1 0 341.483 3.557 20 0 EHADRM Cc1noc(C)c1[C@H](C)CNC(=O)c1ccc(C(F)(F)F)cc1O ZINC000180776995 1139862387 /nfs/dbraw/zinc/86/23/87/1139862387.db2.gz SUOSWGIGNFFGEO-MRVPVSSYSA-N -1 0 342.317 3.549 20 0 EHADRM CCCCCC[C@](C)(NC(=O)[C@H]1C[C@H]1c1ccccc1OC)C(=O)[O-] ZINC000777371290 1139913034 /nfs/dbraw/zinc/91/30/34/1139913034.db2.gz JGDOCEZLIWAYSP-FTRWYGJKSA-N -1 0 347.455 3.729 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2sccc2SC(F)F)C1 ZINC000777393541 1140027498 /nfs/dbraw/zinc/02/74/98/1140027498.db2.gz MRWBUQCRRUSAKY-VIFPVBQESA-N -1 0 349.424 3.780 20 0 EHADRM C[C@@H](CNC(=O)/C(=C\c1ccc(F)cc1)c1cccs1)CC(=O)[O-] ZINC000777396801 1140048663 /nfs/dbraw/zinc/04/86/63/1140048663.db2.gz RFMYLWZSEIVXMG-DYTQJMLRSA-N -1 0 347.411 3.655 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)C(C)C ZINC000183625629 1140050801 /nfs/dbraw/zinc/05/08/01/1140050801.db2.gz PPHXEIHUQNNSKZ-CQSZACIVSA-N -1 0 338.329 3.640 20 0 EHADRM CCN(C(=O)c1cc(F)c([O-])c(F)c1)[C@H](C)Cc1ccc(OC)cc1 ZINC000186795650 1140222512 /nfs/dbraw/zinc/22/25/12/1140222512.db2.gz WIXAGOOPDIYRMC-GFCCVEGCSA-N -1 0 349.377 3.772 20 0 EHADRM Cc1occc1S([O-])=CC(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000189626400 1140356211 /nfs/dbraw/zinc/35/62/11/1140356211.db2.gz RVQHPNPUFBVBQU-WAIKUNEKSA-N -1 0 333.453 3.599 20 0 EHADRM CCC(CC)n1nc(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)cc1C ZINC000190883441 1140422232 /nfs/dbraw/zinc/42/22/32/1140422232.db2.gz LGSOVKNYOVWVEV-DHZHZOJOSA-N -1 0 341.411 3.903 20 0 EHADRM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000194427532 1140609642 /nfs/dbraw/zinc/60/96/42/1140609642.db2.gz YLBHOPRYDZSVBO-UHFFFAOYSA-N -1 0 344.238 3.843 20 0 EHADRM C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000194561218 1140614718 /nfs/dbraw/zinc/61/47/18/1140614718.db2.gz CGFJJVVNEIUDRV-ZBEGNZNMSA-N -1 0 349.789 3.787 20 0 EHADRM CC(C)[C@H]1C[C@H](NC(=O)c2c([O-])cc(Cl)cc2Cl)CCO1 ZINC000271476396 1141376966 /nfs/dbraw/zinc/37/69/66/1141376966.db2.gz ZOLYXMJZYLGCJZ-ZWNOBZJWSA-N -1 0 332.227 3.632 20 0 EHADRM O=C([N-]OC1CCCC1)C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000271660835 1141414559 /nfs/dbraw/zinc/41/45/59/1141414559.db2.gz KKNNPNOTKBUVTN-UHFFFAOYSA-N -1 0 338.363 3.515 20 0 EHADRM CCc1ncsc1[N-]S(=O)(=O)c1ccc(SC)c(Cl)c1 ZINC000274312933 1141496617 /nfs/dbraw/zinc/49/66/17/1141496617.db2.gz RCEIKMXLZOJEEB-UHFFFAOYSA-N -1 0 348.902 3.882 20 0 EHADRM Cc1sc(C=Cc2c[nH]nc2-c2ccccc2F)nc1C(=O)[O-] ZINC000339114220 1141500999 /nfs/dbraw/zinc/50/09/99/1141500999.db2.gz PQIJKTCSETYWRY-SREVYHEPSA-N -1 0 329.356 3.849 20 0 EHADRM COc1cc(/C=C\c2nc(C(=O)[O-])c(C)s2)ccc1OC(F)F ZINC000339115378 1141501610 /nfs/dbraw/zinc/50/16/10/1141501610.db2.gz WJQWPXUUAIYUPE-XQRVVYSFSA-N -1 0 341.335 3.930 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000339167022 1141515705 /nfs/dbraw/zinc/51/57/05/1141515705.db2.gz BMJPFYWJEFNJKP-VBKZILBWSA-N -1 0 341.407 3.765 20 0 EHADRM Oc1cccc(CNCc2cccc(Cn3cccn3)c2)c1Cl ZINC000339199498 1141526045 /nfs/dbraw/zinc/52/60/45/1141526045.db2.gz QQOAOZCGPRCZOM-UHFFFAOYSA-N -1 0 327.815 3.580 20 0 EHADRM O=C(NCCSCc1cccc2ccccc21)c1cncc(O)c1 ZINC000348888518 1141604239 /nfs/dbraw/zinc/60/42/39/1141604239.db2.gz DLZHFIOGAGNVIO-UHFFFAOYSA-N -1 0 338.432 3.604 20 0 EHADRM Cc1cscc1-c1nc2cc(Br)c(F)cc2c(=O)[nH]1 ZINC000349007577 1141621628 /nfs/dbraw/zinc/62/16/28/1141621628.db2.gz OVUIMJHQRLGYLM-UHFFFAOYSA-N -1 0 339.189 3.862 20 0 EHADRM O=C([O-])COc1cccc(-c2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000022119944 212278123 /nfs/dbraw/zinc/27/81/23/212278123.db2.gz WWKDOHWRUFGTPE-UHFFFAOYSA-N -1 0 330.727 3.520 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)c1cc(Br)ccc1F ZINC000019483065 212032460 /nfs/dbraw/zinc/03/24/60/212032460.db2.gz UHWPWRDVHSCUQY-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N(Cc2ccccc2)C(C)C)cc1C ZINC000107962838 526091231 /nfs/dbraw/zinc/09/12/31/526091231.db2.gz JTXZOAKVKOOLSD-DEOSSOPVSA-N -1 0 343.492 3.848 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2nc3ccc(OC)cc3s2)cc1 ZINC000013948004 563732762 /nfs/dbraw/zinc/73/27/62/563732762.db2.gz IECQTAHQFADUIM-UHFFFAOYSA-N -1 0 348.449 3.668 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2ccccc2CC(=O)[O-])cc1F ZINC000325537619 596967531 /nfs/dbraw/zinc/96/75/31/596967531.db2.gz UULFEHKJSMRVJR-LBPRGKRZSA-N -1 0 330.359 3.644 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)C1 ZINC000676218498 597093511 /nfs/dbraw/zinc/09/35/11/597093511.db2.gz PXGZIDIULBQNSW-GDIGMMSISA-N -1 0 337.419 3.657 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2cc3c(cccc3Cl)s2)C1 ZINC000676216796 597104144 /nfs/dbraw/zinc/10/41/44/597104144.db2.gz UJJHDQOREIWLGN-JTQLQIEISA-N -1 0 337.828 3.882 20 0 EHADRM Cc1cc(OC(C)C)ccc1NC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000574666552 597118846 /nfs/dbraw/zinc/11/88/46/597118846.db2.gz NWLUTIOKEYOPBS-AWEZNQCLSA-N -1 0 334.416 3.501 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2ccccc2Oc2cccnc2)cc1 ZINC000238128618 597144831 /nfs/dbraw/zinc/14/48/31/597144831.db2.gz UUCCNUCOXVVBDW-UHFFFAOYSA-N -1 0 348.358 3.502 20 0 EHADRM CN(CCCCc1ccccc1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737990328 597183273 /nfs/dbraw/zinc/18/32/73/597183273.db2.gz ZUWKNROFBVWZFH-UHFFFAOYSA-N -1 0 340.423 3.800 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)Nc2cccc(CC(=O)[O-])c2)c1C ZINC000738306924 597192716 /nfs/dbraw/zinc/19/27/16/597192716.db2.gz HIKDLVGYLJGDGV-CQSZACIVSA-N -1 0 326.396 3.813 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000738262497 597196501 /nfs/dbraw/zinc/19/65/01/597196501.db2.gz ACPVEXZKPANLCJ-SFHVURJKSA-N -1 0 338.407 3.991 20 0 EHADRM CCOc1ccccc1[C@H](C)NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737886131 597201479 /nfs/dbraw/zinc/20/14/79/597201479.db2.gz HGUXQJAAODILDQ-ZDUSSCGKSA-N -1 0 342.395 3.595 20 0 EHADRM O=C([O-])c1ccc(C[S@@](=O)Cc2coc(-c3cccs3)n2)cc1 ZINC000819691544 597285465 /nfs/dbraw/zinc/28/54/65/597285465.db2.gz OZOBZROPRGTXIB-HSZRJFAPSA-N -1 0 347.417 3.550 20 0 EHADRM Cc1ccccc1[C@H](C)N(C)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818958710 597321888 /nfs/dbraw/zinc/32/18/88/597321888.db2.gz JBIHSJFACDLUCF-AWEZNQCLSA-N -1 0 326.396 3.847 20 0 EHADRM CC[C@](C)(NC(=O)Nc1ccccc1CC(=O)[O-])c1ccccc1 ZINC000818132375 597323053 /nfs/dbraw/zinc/32/30/53/597323053.db2.gz VLMUBRLEPYMOFV-IBGZPJMESA-N -1 0 326.396 3.761 20 0 EHADRM CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818149306 597324603 /nfs/dbraw/zinc/32/46/03/597324603.db2.gz WUKUNKSRGLHOBY-HNNXBMFYSA-N -1 0 344.436 3.917 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818090040 597325873 /nfs/dbraw/zinc/32/58/73/597325873.db2.gz KVDSZCJWRKXLJB-RHSMWYFYSA-N -1 0 338.407 3.724 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)Nc2ccccc2CC(=O)[O-])c(C)s1 ZINC000320135788 597327296 /nfs/dbraw/zinc/32/72/96/597327296.db2.gz LBIMAKDVWGGERB-LLVKDONJSA-N -1 0 332.425 3.875 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N(CCc1ccccc1)C1CC1 ZINC000819602821 597330153 /nfs/dbraw/zinc/33/01/53/597330153.db2.gz CCSWYRLFRNXAMP-UHFFFAOYSA-N -1 0 338.407 3.553 20 0 EHADRM CC(=O)Nc1ccc(C)c(NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000819788431 597471023 /nfs/dbraw/zinc/47/10/23/597471023.db2.gz GOYRQCLZQBZJJW-UHFFFAOYSA-N -1 0 341.367 3.604 20 0 EHADRM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000820228581 597651476 /nfs/dbraw/zinc/65/14/76/597651476.db2.gz PTVFIYSKYVSXMG-PWSUYJOCSA-N -1 0 344.333 3.508 20 0 EHADRM Cc1ccccc1C1=CCN(C(=O)Nc2cccc(CC(=O)[O-])c2)C1 ZINC000821119765 597723147 /nfs/dbraw/zinc/72/31/47/597723147.db2.gz BUKAUVNXTRGLRI-UHFFFAOYSA-N -1 0 336.391 3.553 20 0 EHADRM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)NCCCCC(=O)[O-] ZINC000666562208 598167548 /nfs/dbraw/zinc/16/75/48/598167548.db2.gz OUIYKDNKHDBIIY-LBPRGKRZSA-N -1 0 341.477 3.532 20 0 EHADRM O=C([O-])CCCCNC(=O)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000666558073 598170663 /nfs/dbraw/zinc/17/06/63/598170663.db2.gz IEUVJWMSJUBILE-UHFFFAOYSA-N -1 0 340.423 3.769 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(CC(=O)[O-])c2)nn1C1CCCCC1 ZINC000820963579 598194629 /nfs/dbraw/zinc/19/46/29/598194629.db2.gz DIAPYYSWTDKAIM-UHFFFAOYSA-N -1 0 341.411 3.576 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2(c3ccc(F)cc3)CCC2)c(F)c1 ZINC000677848244 599704755 /nfs/dbraw/zinc/70/47/55/599704755.db2.gz UXRNICDYVDUVDM-UHFFFAOYSA-N -1 0 331.318 3.723 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)cc1 ZINC000238035655 599705920 /nfs/dbraw/zinc/70/59/20/599705920.db2.gz OTRFGRXMUDARFY-WOJBJXKFSA-N -1 0 345.398 3.958 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)cc1 ZINC000238036657 599706160 /nfs/dbraw/zinc/70/61/60/599706160.db2.gz OTRFGRXMUDARFY-UXHICEINSA-N -1 0 345.398 3.958 20 0 EHADRM CCCCc1ccc2nc(NC(=O)CCCNC(=O)[O-])sc2c1 ZINC000737004601 599707029 /nfs/dbraw/zinc/70/70/29/599707029.db2.gz VGSWDXUOWGNTDK-UHFFFAOYSA-N -1 0 335.429 3.625 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(C(=O)[O-])c2)cc(C)c1OC(F)F ZINC000237793707 599708384 /nfs/dbraw/zinc/70/83/84/599708384.db2.gz YLETWLCWIWCNJC-UHFFFAOYSA-N -1 0 335.306 3.855 20 0 EHADRM CCCC[C@H](Sc1nnc(-c2ccccc2Cl)n1C)C(=O)[O-] ZINC000736983770 599709332 /nfs/dbraw/zinc/70/93/32/599709332.db2.gz CTIWNXCBFOCQHP-LBPRGKRZSA-N -1 0 339.848 3.871 20 0 EHADRM CCCC[C@@H](Sc1nnc(NCc2ccccc2)s1)C(=O)[O-] ZINC000736985712 599709859 /nfs/dbraw/zinc/70/98/59/599709859.db2.gz QOINDFXLKHIAJE-GFCCVEGCSA-N -1 0 337.470 3.886 20 0 EHADRM O=C([O-])NCCCC(=O)Nc1ccccc1Sc1ccccc1 ZINC000739966706 599714679 /nfs/dbraw/zinc/71/46/79/599714679.db2.gz OAYUWUCCZZGGFA-UHFFFAOYSA-N -1 0 330.409 3.824 20 0 EHADRM O=C([O-])[C@@H](N[C@H](c1nccs1)c1ccccc1)c1ccc(F)cc1 ZINC000739504563 599715041 /nfs/dbraw/zinc/71/50/41/599715041.db2.gz ZTWUHHHUHWSSLF-HOTGVXAUSA-N -1 0 342.395 3.787 20 0 EHADRM CCN(Cc1ccccc1)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000737103831 599715715 /nfs/dbraw/zinc/71/57/15/599715715.db2.gz KTXSSGGAQYBOMY-UHFFFAOYSA-N -1 0 331.347 3.970 20 0 EHADRM CC(C)c1cccc(O[C@H](C)C(=O)Nc2cccc(C(=O)[O-])c2O)c1 ZINC000736703240 599721346 /nfs/dbraw/zinc/72/13/46/599721346.db2.gz ABEOGEUILGVLDB-GFCCVEGCSA-N -1 0 343.379 3.620 20 0 EHADRM O=C([O-])NCCCC(=O)N(Cc1ccccc1)c1ccc(Cl)cc1 ZINC000739954462 599725078 /nfs/dbraw/zinc/72/50/78/599725078.db2.gz SEYHYZMGVRDINX-UHFFFAOYSA-N -1 0 346.814 3.921 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21)c1ccccc1 ZINC000238025037 599729238 /nfs/dbraw/zinc/72/92/38/599729238.db2.gz REDMFYXIKZKPGR-HSALFYBXSA-N -1 0 345.398 3.885 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)Cc1cccc(Cl)c1 ZINC000737870122 599733065 /nfs/dbraw/zinc/73/30/65/599733065.db2.gz DHLVQQDHVVIHPZ-SOFGYWHQSA-N -1 0 346.766 3.595 20 0 EHADRM CCc1[nH]c(C(=O)N[C@@](C)(CC)c2ccccc2)c(C)c1C(=O)[O-] ZINC000737240326 599734062 /nfs/dbraw/zinc/73/40/62/599734062.db2.gz IYUBHXSZVCRANS-IBGZPJMESA-N -1 0 328.412 3.639 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)c2sccc2OC(F)F)c1 ZINC000740041879 599736459 /nfs/dbraw/zinc/73/64/59/599736459.db2.gz XBGYDJJXPOPNAN-UHFFFAOYSA-N -1 0 328.296 3.692 20 0 EHADRM CN(CCCC(=O)Nc1cccc(COC2CCCCC2)c1)C(=O)[O-] ZINC000737430916 599741331 /nfs/dbraw/zinc/74/13/31/599741331.db2.gz NMLLICHWFMITEW-UHFFFAOYSA-N -1 0 348.443 3.864 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)CSc1ccc2ccccc2c1)C(=O)[O-] ZINC000236951385 599742004 /nfs/dbraw/zinc/74/20/04/599742004.db2.gz LGNUMQHWLBTRBT-SJCJKPOMSA-N -1 0 331.437 3.547 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000236971689 599745057 /nfs/dbraw/zinc/74/50/57/599745057.db2.gz LUJDMTRKHFKNBW-WFASDCNBSA-N -1 0 331.437 3.746 20 0 EHADRM O=C([O-])c1cc(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)ccc1F ZINC000739337854 599745437 /nfs/dbraw/zinc/74/54/37/599745437.db2.gz GTDFRXLAPZQVQB-UHFFFAOYSA-N -1 0 346.745 3.840 20 0 EHADRM Cc1ccccc1C1(CNC(=O)CCCN(C)C(=O)[O-])CCCCC1 ZINC000738760648 599748563 /nfs/dbraw/zinc/74/85/63/599748563.db2.gz JDTVNJZHTXEPDC-UHFFFAOYSA-N -1 0 346.471 3.703 20 0 EHADRM O=C([O-])CC1CCN(C(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)CC1 ZINC000262073561 599749697 /nfs/dbraw/zinc/74/96/97/599749697.db2.gz FVTZWADUZXDGDO-MOPGFXCFSA-N -1 0 337.419 3.657 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000236972438 599763203 /nfs/dbraw/zinc/76/32/03/599763203.db2.gz FEBXYIUQRWHIPY-AEHQLWAISA-N -1 0 344.238 3.712 20 0 EHADRM O=C([O-])CCCCCNC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000238153362 599764889 /nfs/dbraw/zinc/76/48/89/599764889.db2.gz XHJZCUKXOWICOR-RYUDHWBXSA-N -1 0 344.238 3.858 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000127076358 599765474 /nfs/dbraw/zinc/76/54/74/599765474.db2.gz HDGAUNUCRHCCTL-UHFFFAOYSA-N -1 0 348.196 3.719 20 0 EHADRM CC(C)(Oc1ccc(F)cc1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000236712444 599768907 /nfs/dbraw/zinc/76/89/07/599768907.db2.gz GNSHNQIXUXYNHH-UHFFFAOYSA-N -1 0 345.370 3.639 20 0 EHADRM Cc1ccc(CCCC(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000237699733 599770887 /nfs/dbraw/zinc/77/08/87/599770887.db2.gz OPDCEZWZXUIJHG-UHFFFAOYSA-N -1 0 325.408 3.974 20 0 EHADRM CCCC[C@H]1CCC[C@@H]1NC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000736986680 599781579 /nfs/dbraw/zinc/78/15/79/599781579.db2.gz YQLIJPVNBRFCJG-BBRMVZONSA-N -1 0 336.432 3.787 20 0 EHADRM CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000736908134 599789017 /nfs/dbraw/zinc/78/90/17/599789017.db2.gz WNKQUDCPJGNSTI-GFCCVEGCSA-N -1 0 348.349 3.806 20 0 EHADRM CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000736908135 599789276 /nfs/dbraw/zinc/78/92/76/599789276.db2.gz WNKQUDCPJGNSTI-LBPRGKRZSA-N -1 0 348.349 3.806 20 0 EHADRM COc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000738125437 599789525 /nfs/dbraw/zinc/78/95/25/599789525.db2.gz VVDWZNQYAMAMEJ-MRXNPFEDSA-N -1 0 340.379 3.762 20 0 EHADRM Cc1nc(-c2ccco2)ccc1C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000738838386 599789940 /nfs/dbraw/zinc/78/99/40/599789940.db2.gz QURYTWZCZRHNTI-NSHDSACASA-N -1 0 341.319 3.859 20 0 EHADRM O=C([O-])c1occc1COC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000740280585 599791492 /nfs/dbraw/zinc/79/14/92/599791492.db2.gz CSTAWXSVQAQAFM-DLBZAZTESA-N -1 0 336.343 3.978 20 0 EHADRM C[C@H](NC(=O)NCCCCC(=O)[O-])c1cc(Cl)ccc1Cl ZINC000666523712 599793136 /nfs/dbraw/zinc/79/31/36/599793136.db2.gz BANMJDWZIPSIBS-VIFPVBQESA-N -1 0 333.215 3.609 20 0 EHADRM O=C([O-])CCC(=O)N(Cc1cccc2ccccc21)C1CCCC1 ZINC000581610425 599798318 /nfs/dbraw/zinc/79/83/18/599798318.db2.gz NGORIAKNDNXMGP-UHFFFAOYSA-N -1 0 325.408 3.976 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)Oc2ccsc2C(=O)[O-])cc1 ZINC000736891626 599801777 /nfs/dbraw/zinc/80/17/77/599801777.db2.gz PJTGTPXZTDSPIX-SNVBAGLBSA-N -1 0 340.422 3.728 20 0 EHADRM C[C@@H](Cc1nnc(SCc2cc(C(=O)[O-])co2)o1)c1ccccc1 ZINC000736630505 599802724 /nfs/dbraw/zinc/80/27/24/599802724.db2.gz XNTWUZOGVMZSFP-NSHDSACASA-N -1 0 344.392 3.999 20 0 EHADRM O=C([O-])c1sccc1NC(=O)COc1cccc2ccccc21 ZINC000739337185 599803139 /nfs/dbraw/zinc/80/31/39/599803139.db2.gz OBEAQZMPRWDTJI-UHFFFAOYSA-N -1 0 327.361 3.617 20 0 EHADRM O=C([O-])c1coc(CSc2nncn2-c2cccc(Cl)c2)c1 ZINC000740268647 599803259 /nfs/dbraw/zinc/80/32/59/599803259.db2.gz CFVZBOOYCUZAQB-UHFFFAOYSA-N -1 0 335.772 3.504 20 0 EHADRM CCOc1ccccc1-c1nnc(SCc2cc(C(=O)[O-])co2)o1 ZINC000737212753 599803812 /nfs/dbraw/zinc/80/38/12/599803812.db2.gz KSQZCLRTCXFWNO-UHFFFAOYSA-N -1 0 346.364 3.719 20 0 EHADRM CC(C)[C@H](NC(=O)c1cc2sc3ccccc3c2s1)C(=O)[O-] ZINC000345999041 599814839 /nfs/dbraw/zinc/81/48/39/599814839.db2.gz RUSXOELUXMWHHP-ZDUSSCGKSA-N -1 0 333.434 3.955 20 0 EHADRM CC(C)Sc1ccc([C@H](C)NC(=O)[C@H](NC(=O)[O-])C(C)C)cc1 ZINC000736499319 599828966 /nfs/dbraw/zinc/82/89/66/599828966.db2.gz CSFFGIALISRFIQ-SWLSCSKDSA-N -1 0 338.473 3.657 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N2CCC[C@H]2C2CCCC2)cc1 ZINC000325868068 599830408 /nfs/dbraw/zinc/83/04/08/599830408.db2.gz KGZKGBFQVADBER-KRWDZBQOSA-N -1 0 330.428 3.890 20 0 EHADRM CCOc1cc(/C=C(/C(=O)[O-])c2ccncc2)cc(Cl)c1OC ZINC000737192714 599831045 /nfs/dbraw/zinc/83/10/45/599831045.db2.gz YJGGENSOVJSPSJ-MDWZMJQESA-N -1 0 333.771 3.768 20 0 EHADRM CN(C(=O)Nc1ccc(C(=O)[O-])cc1F)[C@H]1CCc2ccccc21 ZINC000737327694 599837116 /nfs/dbraw/zinc/83/71/16/599837116.db2.gz VEVQZUISFYRSRV-INIZCTEOSA-N -1 0 328.343 3.675 20 0 EHADRM Cc1sc(NC(=O)[C@@H](C)n2cnc3ccccc32)c(C(=O)[O-])c1C ZINC000391868118 599838720 /nfs/dbraw/zinc/83/87/20/599838720.db2.gz YJAIWEPZDYACOA-SNVBAGLBSA-N -1 0 343.408 3.613 20 0 EHADRM Cc1cccc(N(Cc2ccccc2)C(=O)CCCN(C)C(=O)[O-])c1 ZINC000738726364 599840196 /nfs/dbraw/zinc/84/01/96/599840196.db2.gz XSKOGRLYNLWVQS-UHFFFAOYSA-N -1 0 340.423 3.918 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2CCOc3ccccc32)ccc1Cl ZINC000390621156 599843414 /nfs/dbraw/zinc/84/34/14/599843414.db2.gz ZKXLUIFXGAOQBW-GFCCVEGCSA-N -1 0 331.755 3.543 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)Cc2cccc(C)c2)cc1 ZINC000237358600 599843802 /nfs/dbraw/zinc/84/38/02/599843802.db2.gz YQBUIWHRQHDUBL-KRWDZBQOSA-N -1 0 343.448 3.592 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)CSc1ccc(F)c(F)c1 ZINC000319521699 599845838 /nfs/dbraw/zinc/84/58/38/599845838.db2.gz JTPSDOZIOJOUNH-UHFFFAOYSA-N -1 0 341.310 3.533 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)CCc2cccs2)cc1 ZINC000237346153 599847789 /nfs/dbraw/zinc/84/77/89/599847789.db2.gz BADNYGBXHUKWDJ-OAHLLOKOSA-N -1 0 349.477 3.735 20 0 EHADRM O=C([O-])c1coc(CN2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000568061940 599848122 /nfs/dbraw/zinc/84/81/22/599848122.db2.gz XRGGSQKZWPUAMX-UHFFFAOYSA-N -1 0 347.798 3.726 20 0 EHADRM Cc1ccc(NC(=O)CNc2cccc(F)c2C(=O)[O-])c(Cl)c1 ZINC000738624938 599856820 /nfs/dbraw/zinc/85/68/20/599856820.db2.gz AUPVTCREGLMDOD-UHFFFAOYSA-N -1 0 336.750 3.536 20 0 EHADRM COc1ccccc1CNc1nc(-c2cc(C(=O)[O-])co2)cs1 ZINC000738132903 599859249 /nfs/dbraw/zinc/85/92/49/599859249.db2.gz GVJPJVDEIXYKOV-UHFFFAOYSA-N -1 0 330.365 3.722 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2Cc2ccccc2)s1 ZINC000740111460 599868126 /nfs/dbraw/zinc/86/81/26/599868126.db2.gz VXNRFFDSJDQODQ-HUUCEWRRSA-N -1 0 343.448 3.978 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)Cc1cccs1 ZINC000676018544 599871868 /nfs/dbraw/zinc/87/18/68/599871868.db2.gz LFEWGQMHILFYBM-UHFFFAOYSA-N -1 0 331.418 3.520 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)OCc1cc(C(=O)[O-])co1 ZINC000736714650 599880037 /nfs/dbraw/zinc/88/00/37/599880037.db2.gz YJARTXTVGMMGKE-VIFPVBQESA-N -1 0 340.784 3.855 20 0 EHADRM Cc1nc(-c2ccccc2)sc1C(=O)OCc1cc(C(=O)[O-])co1 ZINC000738832496 599881165 /nfs/dbraw/zinc/88/11/65/599881165.db2.gz QHRDAXQAGQOJFC-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM CC(C)[C@@H](NC(=O)[O-])C(=O)O[C@H](C)c1ccc(Cl)cc1Cl ZINC000736384502 599884878 /nfs/dbraw/zinc/88/48/78/599884878.db2.gz IKNNSHYVNWYAFE-PRHODGIISA-N -1 0 334.199 3.890 20 0 EHADRM O=C([O-])c1ccc(C(=O)O[C@@H](c2ccccc2)c2cccnc2)cc1 ZINC000740121419 599890537 /nfs/dbraw/zinc/89/05/37/599890537.db2.gz RLYPXHLPQIGWNN-SFHVURJKSA-N -1 0 333.343 3.726 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)o1 ZINC000740133631 599893524 /nfs/dbraw/zinc/89/35/24/599893524.db2.gz NTUNKFNGBAZMPR-IRXDYDNUSA-N -1 0 336.343 3.978 20 0 EHADRM Cc1sc(NC(=O)c2cccnc2OCC(C)C)c(C(=O)[O-])c1C ZINC000738995578 599894398 /nfs/dbraw/zinc/89/43/98/599894398.db2.gz GSFKIFKHSPCMSY-UHFFFAOYSA-N -1 0 348.424 3.745 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000679400381 599895293 /nfs/dbraw/zinc/89/52/93/599895293.db2.gz NFDYQECWXGJCOL-FHWLQOOXSA-N -1 0 337.419 3.799 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)C(C)(C)c1ccc(C)cc1 ZINC000737858042 599895432 /nfs/dbraw/zinc/89/54/32/599895432.db2.gz KBIAKNGENJULGI-UHFFFAOYSA-N -1 0 328.364 3.585 20 0 EHADRM CC(C)COc1ncccc1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000736449161 599901326 /nfs/dbraw/zinc/90/13/26/599901326.db2.gz CZCRCVZVCQGYLF-UHFFFAOYSA-N -1 0 348.786 3.720 20 0 EHADRM C[C@H](c1c(F)cccc1F)N(C)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736715320 599902025 /nfs/dbraw/zinc/90/20/25/599902025.db2.gz QAJHQBJXKXGYQQ-SNVBAGLBSA-N -1 0 334.322 3.888 20 0 EHADRM CC(C)[C@H](CC(=O)N[C@H](C(=O)[O-])c1cccs1)c1ccccc1 ZINC000448987290 599911538 /nfs/dbraw/zinc/91/15/38/599911538.db2.gz ASXZNWLFVUASPG-YOEHRIQHSA-N -1 0 331.437 3.820 20 0 EHADRM O=Cc1cc(C(=O)[O-])ccc1OCc1cccc(Br)c1 ZINC000740318314 599912244 /nfs/dbraw/zinc/91/22/44/599912244.db2.gz WVPKTUZODBAOQY-UHFFFAOYSA-N -1 0 335.153 3.539 20 0 EHADRM CN(CCCC(=O)O[C@@H](c1ccccc1)c1cccc(F)c1)C(=O)[O-] ZINC000737432661 599912572 /nfs/dbraw/zinc/91/25/72/599912572.db2.gz BKQUEQFXDKCWBU-SFHVURJKSA-N -1 0 345.370 3.848 20 0 EHADRM O=C([O-])CC1CCN(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)CC1 ZINC000262161562 599915134 /nfs/dbraw/zinc/91/51/34/599915134.db2.gz PQQXRYMAYMGUSJ-RBUKOAKNSA-N -1 0 337.419 3.657 20 0 EHADRM CCOc1ccc(SCC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000391973167 599916876 /nfs/dbraw/zinc/91/68/76/599916876.db2.gz XIUCJRKNTKCSJJ-UHFFFAOYSA-N -1 0 345.420 3.823 20 0 EHADRM Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000237610513 599917487 /nfs/dbraw/zinc/91/74/87/599917487.db2.gz UWBHWUHFEDGMPT-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM C[C@H](CN(C(=O)/C=C\c1ccc(C(C)(C)C)cc1)C1CC1)C(=O)[O-] ZINC000736563176 599919486 /nfs/dbraw/zinc/91/94/86/599919486.db2.gz MDBFQZPRCVUUDC-YRBHFNIASA-N -1 0 329.440 3.709 20 0 EHADRM CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(C(=O)[O-])s1 ZINC000736300115 599919746 /nfs/dbraw/zinc/91/97/46/599919746.db2.gz UGQZSNLVKFYINE-UHFFFAOYSA-N -1 0 347.436 3.553 20 0 EHADRM Cc1ccc(C)c(C(=O)Nc2cccc(CSCC(=O)[O-])c2)c1 ZINC000237642873 599921916 /nfs/dbraw/zinc/92/19/16/599921916.db2.gz FEKSHIWNDHGPQN-UHFFFAOYSA-N -1 0 329.421 3.874 20 0 EHADRM CCC(CC)(C(=O)NCCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000236869112 599928361 /nfs/dbraw/zinc/92/83/61/599928361.db2.gz CUQIFMMRQIMGTN-UHFFFAOYSA-N -1 0 325.836 3.769 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000736929717 599928855 /nfs/dbraw/zinc/92/88/55/599928855.db2.gz SYOVMXBWUPNEIO-YOEHRIQHSA-N -1 0 347.455 3.679 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000740029995 599929380 /nfs/dbraw/zinc/92/93/80/599929380.db2.gz UVVSTVKURUCBJT-PWSUYJOCSA-N -1 0 330.306 3.627 20 0 EHADRM C/C(=C\C(=O)N[C@H](CCC(=O)[O-])c1ccccc1)c1ccc(F)cc1 ZINC000736120948 599931489 /nfs/dbraw/zinc/93/14/89/599931489.db2.gz MPBAVFQUKKOWLG-KAUXGEHWSA-N -1 0 341.382 3.951 20 0 EHADRM COc1cc2nc(C)sc2cc1NCc1cc(C(=O)[O-])c(C)o1 ZINC000737909976 599936334 /nfs/dbraw/zinc/93/63/34/599936334.db2.gz QLDLSQVYQMMRAI-UHFFFAOYSA-N -1 0 332.381 3.825 20 0 EHADRM Cc1oc(-c2ccsc2)nc1COc1ccc(CC(=O)[O-])cc1 ZINC000738956513 599936867 /nfs/dbraw/zinc/93/68/67/599936867.db2.gz BIUAUVSZCOUYMT-UHFFFAOYSA-N -1 0 329.377 3.918 20 0 EHADRM O=C([O-])CCCNC(=O)[C@H](Sc1ccccc1F)c1ccccc1 ZINC000428102248 599939258 /nfs/dbraw/zinc/93/92/58/599939258.db2.gz MMOSDHKENAWFMT-QGZVFWFLSA-N -1 0 347.411 3.640 20 0 EHADRM O=C(/C=C\c1ccco1)OCc1c2ccccc2sc1C(=O)[O-] ZINC000739214308 599943864 /nfs/dbraw/zinc/94/38/64/599943864.db2.gz CZZXHNIPHWRZBL-FPLPWBNLSA-N -1 0 328.345 3.949 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cn2)cc1 ZINC000740115358 599952637 /nfs/dbraw/zinc/95/26/37/599952637.db2.gz WBTQEKJMFGPRLS-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM CC(C)COc1ccccc1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000736447725 599971224 /nfs/dbraw/zinc/97/12/24/599971224.db2.gz FSNJZKXJWHTLJC-UHFFFAOYSA-N -1 0 327.380 3.601 20 0 EHADRM CC(C)(CC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F)c1ccccc1 ZINC000736310621 599971898 /nfs/dbraw/zinc/97/18/98/599971898.db2.gz QJLVJPWUZZUZBN-QGZVFWFLSA-N -1 0 347.361 3.575 20 0 EHADRM Cc1nn(C)c(Cl)c1[C@H]1CCCN1[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000738915617 599974904 /nfs/dbraw/zinc/97/49/04/599974904.db2.gz QNNKTHKTOFAKQC-WDEREUQCSA-N -1 0 337.807 3.571 20 0 EHADRM CCN(C(=O)c1ccc(C(=O)[O-])s1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000237022049 599976076 /nfs/dbraw/zinc/97/60/76/599976076.db2.gz YIXQGXNKQLGMKN-LBPRGKRZSA-N -1 0 347.436 3.548 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000736297147 599979093 /nfs/dbraw/zinc/97/90/93/599979093.db2.gz PDLXYDSJOVKSQW-INIZCTEOSA-N -1 0 347.361 3.818 20 0 EHADRM O=C([O-])[C@H](NCc1coc(-c2ccc(F)c(F)c2)n1)c1ccccc1 ZINC000739505556 599991427 /nfs/dbraw/zinc/99/14/27/599991427.db2.gz RMFKHAKIVCJQOZ-MRXNPFEDSA-N -1 0 344.317 3.535 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)Cc2cccc3ccccc32)c1 ZINC000327404749 599998610 /nfs/dbraw/zinc/99/86/10/599998610.db2.gz VNLWJVXLFPHBLC-UHFFFAOYSA-N -1 0 335.359 3.728 20 0 EHADRM O=C([O-])c1occc1COC(=O)[C@H](OC1CCCC1)c1ccccc1 ZINC000740280657 599999239 /nfs/dbraw/zinc/99/92/39/599999239.db2.gz DTDRYZJZCFWULE-QGZVFWFLSA-N -1 0 344.363 3.722 20 0 EHADRM Cc1cc(C)c(C(=O)COC(=O)c2cccc(NC(=O)[O-])c2)c(C)c1 ZINC000738351305 600001990 /nfs/dbraw/zinc/00/19/90/600001990.db2.gz GKKMHYLGMAOQPG-UHFFFAOYSA-N -1 0 341.363 3.741 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)C[C@H](C)c2ccccc2F)c1 ZINC000737935894 600004081 /nfs/dbraw/zinc/00/40/81/600004081.db2.gz UWXFOSPOXNJSAT-NSHDSACASA-N -1 0 331.343 3.665 20 0 EHADRM COc1ccccc1C(C)(C)NC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000738120220 600008024 /nfs/dbraw/zinc/00/80/24/600008024.db2.gz LIDUMPXTYPSWAA-UHFFFAOYSA-N -1 0 346.358 3.589 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CCC[C@@H]1C1CC1 ZINC000736488554 600010349 /nfs/dbraw/zinc/01/03/49/600010349.db2.gz SYIROFLECGVVEG-OAHLLOKOSA-N -1 0 332.400 3.578 20 0 EHADRM Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2cc(C(=O)[O-])ccc2C)s1 ZINC000738844575 600011604 /nfs/dbraw/zinc/01/16/04/600011604.db2.gz NEDHJLNWOMGOSS-LLVKDONJSA-N -1 0 347.440 3.991 20 0 EHADRM C[C@@H](NC(=O)NC1CCC(C(=O)[O-])CC1)c1ccc2ccccc2c1 ZINC000263015968 600012749 /nfs/dbraw/zinc/01/27/49/600012749.db2.gz OBMLAGYOPNMSMF-MJJDPTRDSA-N -1 0 340.423 3.843 20 0 EHADRM O=C([O-])c1ccc(CSCc2noc(Cc3ccccc3)n2)cc1 ZINC000740136956 600029965 /nfs/dbraw/zinc/02/99/65/600029965.db2.gz UTQHJHGOZQNHOE-UHFFFAOYSA-N -1 0 340.404 3.792 20 0 EHADRM O=C([O-])c1cc(NC(=O)N(Cc2cccnc2)C2CC2)ccc1Cl ZINC000738671706 600031056 /nfs/dbraw/zinc/03/10/56/600031056.db2.gz DZILENURCNYELK-UHFFFAOYSA-N -1 0 345.786 3.630 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N[C@H](c2cccs2)C2CC2)cc1 ZINC000262620927 600035806 /nfs/dbraw/zinc/03/58/06/600035806.db2.gz MRUAXDODSUCQQZ-KRWDZBQOSA-N -1 0 329.421 3.646 20 0 EHADRM CC(C)COc1ccc(CC(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC000736445770 600036542 /nfs/dbraw/zinc/03/65/42/600036542.db2.gz IVJLDSDIYQIGMW-UHFFFAOYSA-N -1 0 341.407 3.625 20 0 EHADRM COc1ccccc1C/C(C)=C\C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000738123388 600036577 /nfs/dbraw/zinc/03/65/77/600036577.db2.gz GHMZKDCNXLIRRX-BENRWUELSA-N -1 0 343.354 3.660 20 0 EHADRM CC[C@H]1c2ccsc2CCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000236958506 600038140 /nfs/dbraw/zinc/03/81/40/600038140.db2.gz KUHMFUXRWDPPKI-INIZCTEOSA-N -1 0 343.448 3.915 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)CC2=CCCCC2)cc1 ZINC000237356268 600040111 /nfs/dbraw/zinc/04/01/11/600040111.db2.gz PHFZOVDDCIPTHP-INIZCTEOSA-N -1 0 333.453 3.931 20 0 EHADRM C[C@H](CCNC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000675962184 600043074 /nfs/dbraw/zinc/04/30/74/600043074.db2.gz TVYHDVKXMGOWDT-OAHLLOKOSA-N -1 0 325.408 3.627 20 0 EHADRM CC(C)(CCc1ccccc1)NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000263548123 600043902 /nfs/dbraw/zinc/04/39/02/600043902.db2.gz VAEADSRIQDQMJR-UHFFFAOYSA-N -1 0 339.435 3.845 20 0 EHADRM Cc1cc(C(=O)[O-])c2sc(NC(=O)c3ccc(Cl)cc3)nc2n1 ZINC000738346352 600048839 /nfs/dbraw/zinc/04/88/39/600048839.db2.gz REJWMOWQIIQLJD-UHFFFAOYSA-N -1 0 347.783 3.604 20 0 EHADRM CC(C)[C@H](Sc1ccccc1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000507288637 600049161 /nfs/dbraw/zinc/04/91/61/600049161.db2.gz FSFDDGCNTIAMQA-XUJLQICISA-N -1 0 335.469 3.563 20 0 EHADRM Cc1cc(C(=O)Nc2nc3nc(C)cc(C(=O)[O-])c3s2)sc1C ZINC000738345092 600049570 /nfs/dbraw/zinc/04/95/70/600049570.db2.gz CEUUAHGETGHUTG-UHFFFAOYSA-N -1 0 347.421 3.629 20 0 EHADRM C/C(=C/C(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1Cl ZINC000236652777 600057580 /nfs/dbraw/zinc/05/75/80/600057580.db2.gz QBXUEBOINQEGKW-BENRWUELSA-N -1 0 329.783 3.758 20 0 EHADRM O=C([O-])c1cc(F)ccc1COc1cc(Cl)ccc1[N+](=O)[O-] ZINC000387760817 600059161 /nfs/dbraw/zinc/05/91/61/600059161.db2.gz CXEXRWZDRBRODG-UHFFFAOYSA-N -1 0 325.679 3.665 20 0 EHADRM CCOc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])cc2)cc1 ZINC000485662623 600059766 /nfs/dbraw/zinc/05/97/66/600059766.db2.gz FGVZAAQLVOOMFA-SJORKVTESA-N -1 0 341.363 3.537 20 0 EHADRM Cc1ccccc1C1CCN(C(=O)c2ccc(C(=O)[O-])s2)CC1 ZINC000237701188 600060581 /nfs/dbraw/zinc/06/05/81/600060581.db2.gz QIAPDCKATWZRDX-UHFFFAOYSA-N -1 0 329.421 3.775 20 0 EHADRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)ccc1F ZINC000738335240 600061201 /nfs/dbraw/zinc/06/12/01/600061201.db2.gz GGWOUOIIKYHYJJ-UHFFFAOYSA-N -1 0 342.370 3.685 20 0 EHADRM CC[C@@H](C(=O)Oc1ccc(C(=O)[O-])cc1Cl)c1c(C)noc1C ZINC000736859832 600061293 /nfs/dbraw/zinc/06/12/93/600061293.db2.gz IOPJTDYCOLDHSK-LLVKDONJSA-N -1 0 337.759 3.742 20 0 EHADRM CC/C(=C/C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000736834261 600062393 /nfs/dbraw/zinc/06/23/93/600062393.db2.gz HOMQXFUWTVWDLQ-JRCBWWJBSA-N -1 0 327.424 3.724 20 0 EHADRM CC/C(=C\C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000736834820 600062985 /nfs/dbraw/zinc/06/29/85/600062985.db2.gz JVNQQXWYSDFALK-SZEUEKNRSA-N -1 0 341.382 3.951 20 0 EHADRM Cc1ccc(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)cc1 ZINC000237626971 600067463 /nfs/dbraw/zinc/06/74/63/600067463.db2.gz AMFPENSMFYAZIA-UHFFFAOYSA-N -1 0 329.421 3.955 20 0 EHADRM CCC(CC)(C(=O)N(C)CC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000427776578 600069572 /nfs/dbraw/zinc/06/95/72/600069572.db2.gz ILCUQCIEDGVGOJ-UHFFFAOYSA-N -1 0 332.227 3.594 20 0 EHADRM O=C([O-])CCCNC(=O)c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000237987101 600069587 /nfs/dbraw/zinc/06/95/87/600069587.db2.gz BXASOUKWRILIJF-UHFFFAOYSA-N -1 0 347.798 3.514 20 0 EHADRM CC(C)c1sc(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])nc1-c1ccccc1 ZINC000736531295 600071788 /nfs/dbraw/zinc/07/17/88/600071788.db2.gz YKIAYXOWGPSDIL-RYUDHWBXSA-N -1 0 330.409 3.593 20 0 EHADRM O=C([O-])CSCCC(=O)N(Cc1ccccc1)C1CCCCC1 ZINC000739842177 600071840 /nfs/dbraw/zinc/07/18/40/600071840.db2.gz BJNMTSIJEHLXBG-UHFFFAOYSA-N -1 0 335.469 3.556 20 0 EHADRM COc1cc(C(=O)Nc2ccc(C)cc2C(=O)[O-])ccc1OC(C)C ZINC000544407177 600073888 /nfs/dbraw/zinc/07/38/88/600073888.db2.gz PLVIYSGAAQOFEH-UHFFFAOYSA-N -1 0 343.379 3.741 20 0 EHADRM Cc1cc(Sc2ccccc2)ccc1NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000738482975 600076906 /nfs/dbraw/zinc/07/69/06/600076906.db2.gz SXZXWBJFPHSKRS-GJZGRUSLSA-N -1 0 327.405 3.805 20 0 EHADRM C/C(=C\C(=O)N[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1Cl ZINC000736120761 600079312 /nfs/dbraw/zinc/07/93/12/600079312.db2.gz KLGQSCYMXNORKT-FMQWLBJXSA-N -1 0 329.783 3.685 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(CCOc1ccc3ccccc3c1)C2 ZINC000392613322 600080463 /nfs/dbraw/zinc/08/04/63/600080463.db2.gz YTZDUSIUVXKLFN-UHFFFAOYSA-N -1 0 333.387 3.933 20 0 EHADRM Cc1ccc(N(C(C)C)S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1 ZINC000738606698 600084432 /nfs/dbraw/zinc/08/44/32/600084432.db2.gz LBUHXRDKNUKROW-UHFFFAOYSA-N -1 0 347.436 3.605 20 0 EHADRM CCc1ccc2c(CN3Cc4ccc(C(=O)[O-])cc4C3)cc(=O)oc2c1 ZINC000737267712 600086343 /nfs/dbraw/zinc/08/63/43/600086343.db2.gz HSJSORLDBVIHJF-UHFFFAOYSA-N -1 0 349.386 3.569 20 0 EHADRM COc1cccc([C@H](C)C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000738093174 600086413 /nfs/dbraw/zinc/08/64/13/600086413.db2.gz WBLWTOBKVPFBAJ-JTQLQIEISA-N -1 0 332.331 3.666 20 0 EHADRM C[C@@H](c1nc(-c2cccs2)no1)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736725188 600087849 /nfs/dbraw/zinc/08/78/49/600087849.db2.gz QEDSYFBABGWWKM-JTQLQIEISA-N -1 0 341.392 3.573 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)ccc1F ZINC000740005340 600088397 /nfs/dbraw/zinc/08/83/97/600088397.db2.gz GTVBYBYUCRKLGN-QWHCGFSZSA-N -1 0 332.306 3.797 20 0 EHADRM Cc1ccc(OCC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c(C)c1 ZINC000738638007 600089728 /nfs/dbraw/zinc/08/97/28/600089728.db2.gz CYVHPRKUKJMHOG-UHFFFAOYSA-N -1 0 332.331 3.550 20 0 EHADRM Cc1cccc(O[C@H](C)C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000738735239 600091296 /nfs/dbraw/zinc/09/12/96/600091296.db2.gz TYGPCYOSYZVVNG-LLVKDONJSA-N -1 0 332.331 3.630 20 0 EHADRM COc1ccc(C2(NC(=O)Nc3cccc(C(=O)[O-])c3C)CC2)cc1 ZINC000737982398 600096332 /nfs/dbraw/zinc/09/63/32/600096332.db2.gz OAEIFAXYCURDAZ-UHFFFAOYSA-N -1 0 340.379 3.513 20 0 EHADRM O=C([O-])c1ccc(-c2noc(CCOc3ccccc3Cl)n2)cc1 ZINC000740101298 600110950 /nfs/dbraw/zinc/11/09/50/600110950.db2.gz GCJWGEXMLLSMDA-UHFFFAOYSA-N -1 0 344.754 3.710 20 0 EHADRM CCCOc1cccc(NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000737034528 600112386 /nfs/dbraw/zinc/11/23/86/600112386.db2.gz MQCAIANXLFRCIB-UHFFFAOYSA-N -1 0 340.379 3.721 20 0 EHADRM O=C([O-])c1ccc(-c2noc(-c3nc(Cl)ccc3Cl)n2)cc1 ZINC000740098572 600113932 /nfs/dbraw/zinc/11/39/32/600113932.db2.gz AZHYOCCQIOJDRH-UHFFFAOYSA-N -1 0 336.134 3.804 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)c1c[nH]c2cc(F)ccc12 ZINC000740078893 600116084 /nfs/dbraw/zinc/11/60/84/600116084.db2.gz WMELAYMQSGKPIF-UHFFFAOYSA-N -1 0 331.274 3.501 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N[C@@H]2CCc3ccc(F)cc32)cc1 ZINC000738599854 600116401 /nfs/dbraw/zinc/11/64/01/600116401.db2.gz UKGVCPMVSVIJCA-QGZVFWFLSA-N -1 0 342.370 3.652 20 0 EHADRM Cc1[nH]c(C(=O)N2CCCc3c(C)cc(C)cc32)c(C)c1C(=O)[O-] ZINC000738225572 600122268 /nfs/dbraw/zinc/12/22/68/600122268.db2.gz IRZAOPASKUQVML-UHFFFAOYSA-N -1 0 326.396 3.540 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H](c3ccccc3)CC2)s1 ZINC000237991140 600123490 /nfs/dbraw/zinc/12/34/90/600123490.db2.gz CUGHRVVAFDFDIR-AWEZNQCLSA-N -1 0 329.421 3.856 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)c1sc(C(C)C)nc1C ZINC000736185935 600123787 /nfs/dbraw/zinc/12/37/87/600123787.db2.gz SFSZZXYJSWESMY-UHFFFAOYSA-N -1 0 347.392 3.695 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000320364450 600125341 /nfs/dbraw/zinc/12/53/41/600125341.db2.gz CIBPIKWYNCVFBO-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)CCCc1ccc(C)cc1 ZINC000736187712 600125937 /nfs/dbraw/zinc/12/59/37/600125937.db2.gz YNRHRPXSVMZJOU-UHFFFAOYSA-N -1 0 340.375 3.824 20 0 EHADRM CCc1sc(C(=O)Oc2ccc(C(=O)[O-])cc2C(C)=O)cc1C ZINC000737291865 600126145 /nfs/dbraw/zinc/12/61/45/600126145.db2.gz ICKHTZVAKMOMBT-UHFFFAOYSA-N -1 0 332.377 3.739 20 0 EHADRM CC[C@@](NC(=O)c1ccc(C(F)F)cc1)(C(=O)[O-])c1ccccc1 ZINC000736917183 600133715 /nfs/dbraw/zinc/13/37/15/600133715.db2.gz QEIAKHXQZSZTRJ-SFHVURJKSA-N -1 0 333.334 3.744 20 0 EHADRM Cc1c(C)c(C)c(C(=O)OCC(=O)c2cc(C(=O)[O-])co2)c(C)c1C ZINC000738289420 600140052 /nfs/dbraw/zinc/14/00/52/600140052.db2.gz QHKNZPPPKNZUHD-UHFFFAOYSA-N -1 0 344.363 3.560 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1 ZINC000738525685 600140826 /nfs/dbraw/zinc/14/08/26/600140826.db2.gz NDQXOYLAAKLHLX-DLBZAZTESA-N -1 0 338.407 3.501 20 0 EHADRM CSc1ccsc1C(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000738207495 600142047 /nfs/dbraw/zinc/14/20/47/600142047.db2.gz DWDBDFXUOWZRNB-UHFFFAOYSA-N -1 0 335.450 3.587 20 0 EHADRM CSc1ccsc1C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000738147254 600146502 /nfs/dbraw/zinc/14/65/02/600146502.db2.gz ZQETZXHJWUEWHM-LLVKDONJSA-N -1 0 339.413 3.555 20 0 EHADRM COc1cccc(NC(=S)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC000738107117 600149633 /nfs/dbraw/zinc/14/96/33/600149633.db2.gz VOPVBPVUFVPFFS-UHFFFAOYSA-N -1 0 330.409 3.521 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000736871070 600151373 /nfs/dbraw/zinc/15/13/73/600151373.db2.gz OOKUDFAPAJKCPQ-RBZYPMLTSA-N -1 0 346.254 3.788 20 0 EHADRM Cc1ccc([C@H](CNC(=O)C(C)(C)c2ccccc2C)C(=O)[O-])cc1 ZINC000486385082 600156731 /nfs/dbraw/zinc/15/67/31/600156731.db2.gz GKVYEDZRQDSFOZ-KRWDZBQOSA-N -1 0 339.435 3.566 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)/C=C/c2ccccc2Cl)C(=O)[O-])cc1 ZINC000738553598 600163035 /nfs/dbraw/zinc/16/30/35/600163035.db2.gz FHGMNULPEHFDLV-SIFUEBAJSA-N -1 0 343.810 3.646 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)C[C@@H](C)C2CCCCC2)C(=O)[O-])cc1 ZINC000486381356 600164878 /nfs/dbraw/zinc/16/48/78/600164878.db2.gz QYBFUJXQYZEDHH-CRAIPNDOSA-N -1 0 331.456 3.886 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)CC(C)(C)c2ccccc2)C(=O)[O-])cc1 ZINC000486400917 600165285 /nfs/dbraw/zinc/16/52/85/600165285.db2.gz JDEAKRUERVXPID-GOSISDBHSA-N -1 0 339.435 3.647 20 0 EHADRM O=C([O-])c1sc(N2CC[C@@H](c3ccccc3F)C2)nc1Cl ZINC000740278972 600167858 /nfs/dbraw/zinc/16/78/58/600167858.db2.gz LXWMZZVWGQGWDE-MRVPVSSYSA-N -1 0 326.780 3.628 20 0 EHADRM COc1ccc2oc(C(=O)Nc3ccc(C(=O)[O-])cc3F)c(C)c2c1 ZINC000568422853 600168662 /nfs/dbraw/zinc/16/86/62/600168662.db2.gz SQTAEMSKHIBFIR-UHFFFAOYSA-N -1 0 343.310 3.839 20 0 EHADRM CC[C@@](NC(=O)c1cc(SC)ccc1C)(C(=O)[O-])c1ccccc1 ZINC000262385610 600169815 /nfs/dbraw/zinc/16/98/15/600169815.db2.gz DQTBUVRDXWELSY-IBGZPJMESA-N -1 0 343.448 3.837 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)OCc1cc(C)c(C(=O)[O-])o1 ZINC000738125492 600175793 /nfs/dbraw/zinc/17/57/93/600175793.db2.gz DRVFOEISSZEFIC-GFCCVEGCSA-N -1 0 346.379 3.607 20 0 EHADRM CC(C)[C@H](NC(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1Cl ZINC000263261870 600188504 /nfs/dbraw/zinc/18/85/04/600188504.db2.gz QLRYWQSBQCZPBJ-HNNXBMFYSA-N -1 0 338.835 3.543 20 0 EHADRM CCCCC[C@H](NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)C(C)(C)C ZINC000736984899 600189569 /nfs/dbraw/zinc/18/95/69/600189569.db2.gz QDTNAMGAGWBGNX-GJZGRUSLSA-N -1 0 338.492 3.878 20 0 EHADRM C[C@@H](OC(=O)c1ccccc1S[C@H](C)C(=O)[O-])c1cccnc1 ZINC000736717960 600189938 /nfs/dbraw/zinc/18/99/38/600189938.db2.gz RVMMFLZWGWTJNG-VXGBXAGGSA-N -1 0 331.393 3.565 20 0 EHADRM C/C(=C/C(=O)N[C@H](CC(=O)[O-])c1ccccc1)c1cccc(F)c1 ZINC000236663308 600191055 /nfs/dbraw/zinc/19/10/55/600191055.db2.gz YJCPINJQQLCMET-OJNOIJSXSA-N -1 0 327.355 3.561 20 0 EHADRM Cc1oc(COC(=O)[C@@H](C)CSc2ccccc2)cc1C(=O)[O-] ZINC000738982545 600191549 /nfs/dbraw/zinc/19/15/49/600191549.db2.gz QARHOQQLKNFATB-NSHDSACASA-N -1 0 334.393 3.758 20 0 EHADRM C/C(=C/C(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1cccc(F)c1 ZINC000237050360 600193333 /nfs/dbraw/zinc/19/33/33/600193333.db2.gz PSBHIIKKYPSERA-RAXLEYEMSA-N -1 0 327.355 3.586 20 0 EHADRM CC(C)[C@@H](OC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000736558004 600193970 /nfs/dbraw/zinc/19/39/70/600193970.db2.gz YNVBPAXQZJUDAV-QMTHXVAHSA-N -1 0 332.318 3.851 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000358610242 600194163 /nfs/dbraw/zinc/19/41/63/600194163.db2.gz PXMMZGZKYBMGSF-JHNDHUHGSA-N -1 0 347.480 3.659 20 0 EHADRM C/C(=C/C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1)c1cccc(F)c1 ZINC000736120801 600195819 /nfs/dbraw/zinc/19/58/19/600195819.db2.gz LNGSYWNBUXEXBU-QJWNTBNXSA-N -1 0 345.345 3.700 20 0 EHADRM COc1ccc(NC(=O)c2ccc(-c3ccccc3)[nH]2)c(C(=O)[O-])c1 ZINC000738034746 600195852 /nfs/dbraw/zinc/19/58/52/600195852.db2.gz ROUKIVOHKDFQIY-UHFFFAOYSA-N -1 0 336.347 3.641 20 0 EHADRM C[C@@H]1CCc2c(C(=O)Nc3ccc(C(=O)[O-])cc3F)csc2C1 ZINC000320591733 600199301 /nfs/dbraw/zinc/19/93/01/600199301.db2.gz VUPOLDIFYKZZEQ-SECBINFHSA-N -1 0 333.384 3.963 20 0 EHADRM Cc1nc(CC(C)C)sc1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000343094438 600199578 /nfs/dbraw/zinc/19/95/78/600199578.db2.gz GIHQKGNHVBREOT-UHFFFAOYSA-N -1 0 336.388 3.740 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C[C@H]2CCCc3ccccc32)c(F)c1 ZINC000479540024 600200155 /nfs/dbraw/zinc/20/01/55/600200155.db2.gz ISRBLAZGVYAXLZ-CYBMUJFWSA-N -1 0 327.355 3.973 20 0 EHADRM C[C@H](CC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-])c1cccc(F)c1 ZINC000262333634 600207146 /nfs/dbraw/zinc/20/71/46/600207146.db2.gz FHPNARJHRHZZQC-UOJCXKCYSA-N -1 0 333.403 3.564 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NCc2nc(-c3cccs3)no2)c1 ZINC000740072496 600207964 /nfs/dbraw/zinc/20/79/64/600207964.db2.gz QIHCRYJEOIVFPU-UHFFFAOYSA-N -1 0 335.772 3.762 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)c(F)c1 ZINC000479403597 600208050 /nfs/dbraw/zinc/20/80/50/600208050.db2.gz BKMPUTZLIGETIF-NXEZZACHSA-N -1 0 335.281 3.544 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2CCc3ccccc32)c(OC(F)F)c1 ZINC000740146519 600210805 /nfs/dbraw/zinc/21/08/05/600210805.db2.gz SAKWYRDZZVIYCA-ZDUSSCGKSA-N -1 0 347.317 3.655 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccccc2Cl)c(OC(F)F)c1 ZINC000740157216 600212593 /nfs/dbraw/zinc/21/25/93/600212593.db2.gz VZMAIYAWLOFJFS-UHFFFAOYSA-N -1 0 341.697 3.892 20 0 EHADRM Cc1ccc(CC(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)s1 ZINC000738584055 600213442 /nfs/dbraw/zinc/21/34/42/600213442.db2.gz CSQQURGRVSZDDM-UHFFFAOYSA-N -1 0 341.335 3.537 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2C[C@H](C(=O)[O-])c3ccccc32)o1 ZINC000393051084 600216624 /nfs/dbraw/zinc/21/66/24/600216624.db2.gz LGUQNFIDNLTJAJ-WQVCFCJDSA-N -1 0 339.391 3.551 20 0 EHADRM O=C([O-])c1ccc(CN2CCSC[C@H]2c2ccc(Cl)cc2)o1 ZINC000740125904 600218614 /nfs/dbraw/zinc/21/86/14/600218614.db2.gz VIXSBDIWCRHZDS-AWEZNQCLSA-N -1 0 337.828 3.921 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2ccc(SC(F)F)cc2)c2ccccc21 ZINC000192947638 600225720 /nfs/dbraw/zinc/22/57/20/600225720.db2.gz AKYXVYQOTUFWEM-ZDUSSCGKSA-N -1 0 349.358 3.830 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCc1cc(Cl)cs1)c1cccs1 ZINC000238112778 600246460 /nfs/dbraw/zinc/24/64/60/600246460.db2.gz SOADDLQFLVCHJS-LLVKDONJSA-N -1 0 343.857 3.728 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)C(C)(C)c1cccc(Cl)c1 ZINC000737859015 600246718 /nfs/dbraw/zinc/24/67/18/600246718.db2.gz SLISDWNZDZIZJU-UHFFFAOYSA-N -1 0 348.782 3.930 20 0 EHADRM CC(C)(C(=O)Nc1cccc(OCC(=O)[O-])c1)c1cccc(Cl)c1 ZINC000236729618 600247396 /nfs/dbraw/zinc/24/73/96/600247396.db2.gz XTRFNUHWECEOFL-UHFFFAOYSA-N -1 0 347.798 3.720 20 0 EHADRM CC(C)c1cc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)on1 ZINC000736515268 600249112 /nfs/dbraw/zinc/24/91/12/600249112.db2.gz KNORUCKVJNSDMP-UHFFFAOYSA-N -1 0 334.397 3.689 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)C[C@H](C)c1ccccc1F ZINC000738085235 600251099 /nfs/dbraw/zinc/25/10/99/600251099.db2.gz LNLYGOTVGUJQCA-NSHDSACASA-N -1 0 332.327 3.632 20 0 EHADRM Cc1cc(NC(=O)CCOc2ccc3ccccc3c2)c(C(=O)[O-])[nH]1 ZINC000738422106 600251196 /nfs/dbraw/zinc/25/11/96/600251196.db2.gz XNYMULLMBFFZKT-UHFFFAOYSA-N -1 0 338.363 3.582 20 0 EHADRM O=C([O-])CCC(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]1 ZINC000738566123 600252115 /nfs/dbraw/zinc/25/21/15/600252115.db2.gz VCRIXSKPHUREBH-UHFFFAOYSA-N -1 0 343.770 3.687 20 0 EHADRM O=C([O-])COc1ccc(C(=O)N2CCCCC[C@@H]2c2ccco2)cc1 ZINC000621534696 600253328 /nfs/dbraw/zinc/25/33/28/600253328.db2.gz KJRSRFKIXVOEDZ-MRXNPFEDSA-N -1 0 343.379 3.501 20 0 EHADRM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000237542589 600253687 /nfs/dbraw/zinc/25/36/87/600253687.db2.gz MNUXFUAKXMCEDR-BLLLJJGKSA-N -1 0 327.355 3.542 20 0 EHADRM Cc1cc(NC(=O)C[C@@H](c2ccccc2)C(F)(F)F)c(C(=O)[O-])[nH]1 ZINC000738426341 600253936 /nfs/dbraw/zinc/25/39/36/600253936.db2.gz YNSOAQDKXINTIF-NSHDSACASA-N -1 0 340.301 3.696 20 0 EHADRM C/C(=C\C(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1)c1cccc(F)c1 ZINC000736121446 600260075 /nfs/dbraw/zinc/26/00/75/600260075.db2.gz QWSQSGDFVWNXCD-MDNBWPLSSA-N -1 0 341.382 3.522 20 0 EHADRM Cc1ccc2[nH]c(C(=O)O[C@@H](C)c3ccc(C(=O)[O-])o3)cc2c1C ZINC000738667876 600268425 /nfs/dbraw/zinc/26/84/25/600268425.db2.gz VLRJOMXFJAPSCV-NSHDSACASA-N -1 0 327.336 3.994 20 0 EHADRM Cc1[nH]c(C(=O)Nc2ccnc(-c3ccccc3)c2)c(C)c1C(=O)[O-] ZINC000738157497 600273528 /nfs/dbraw/zinc/27/35/28/600273528.db2.gz RYXPKXAYUPMFJP-UHFFFAOYSA-N -1 0 335.363 3.644 20 0 EHADRM C[C@@H](Sc1nc2ccc(C(=O)[O-])cc2o1)c1nc(C2CC2)no1 ZINC000736719673 600276652 /nfs/dbraw/zinc/27/66/52/600276652.db2.gz ZIOSEJPHWYCCBY-SSDOTTSWSA-N -1 0 331.353 3.640 20 0 EHADRM CC(C)Sc1ccccc1C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000262413712 600277027 /nfs/dbraw/zinc/27/70/27/600277027.db2.gz JQCVEXHAAIAAST-CQSZACIVSA-N -1 0 333.453 3.514 20 0 EHADRM CSCC[C@@H](C)N(C)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000161786698 600279207 /nfs/dbraw/zinc/27/92/07/600279207.db2.gz WNBYEPOWLIMJIH-SECBINFHSA-N -1 0 330.837 3.644 20 0 EHADRM O=C([O-])c1ccc2nc(SCC(=O)c3ccccc3F)oc2c1 ZINC000740212400 600279965 /nfs/dbraw/zinc/27/99/65/600279965.db2.gz KOPWPXFTLXHGOB-UHFFFAOYSA-N -1 0 331.324 3.640 20 0 EHADRM CN(Cc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C(=O)[O-] ZINC000737477084 600283637 /nfs/dbraw/zinc/28/36/37/600283637.db2.gz GKAJVMWFOAWIHO-UHFFFAOYSA-N -1 0 342.439 3.951 20 0 EHADRM CN(Cc1ccc(NC(=O)c2ccc(C(F)F)cc2)cc1)C(=O)[O-] ZINC000737485131 600283980 /nfs/dbraw/zinc/28/39/80/600283980.db2.gz ARSLLCMBIVZFQG-UHFFFAOYSA-N -1 0 334.322 3.986 20 0 EHADRM CSCC[C@H](C)N(C)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000161751712 600284697 /nfs/dbraw/zinc/28/46/97/600284697.db2.gz MYLRPMRRPGXADH-VIFPVBQESA-N -1 0 330.837 3.644 20 0 EHADRM CSCc1ccc(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cc1 ZINC000738195519 600284779 /nfs/dbraw/zinc/28/47/79/600284779.db2.gz VHHCVKFKYLOGJV-UHFFFAOYSA-N -1 0 344.436 3.912 20 0 EHADRM CN(Cc1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cc1)C(=O)[O-] ZINC000737476556 600287585 /nfs/dbraw/zinc/28/75/85/600287585.db2.gz BWISIBREHITRIE-UHFFFAOYSA-N -1 0 342.370 3.606 20 0 EHADRM Cc1ccc(SCC(=O)Nc2ccc(CNC(=O)[O-])cc2)c(C)c1 ZINC000738668234 600293155 /nfs/dbraw/zinc/29/31/55/600293155.db2.gz RMSHUEGLYADINJ-UHFFFAOYSA-N -1 0 344.436 3.802 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)/C=C\c2ccc(Cl)cc2)cc1 ZINC000739986592 600295569 /nfs/dbraw/zinc/29/55/69/600295569.db2.gz PQSPAFVFDMKAIG-YHYXMXQVSA-N -1 0 330.771 3.760 20 0 EHADRM Cc1cc(Nc2ccc(CN(C)C(=O)[O-])cc2)nc(-c2cccnc2)n1 ZINC000738463771 600313853 /nfs/dbraw/zinc/31/38/53/600313853.db2.gz KZSUBZCOKJLVBP-UHFFFAOYSA-N -1 0 349.394 3.700 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000740292242 600321698 /nfs/dbraw/zinc/32/16/98/600321698.db2.gz OOGCSKIBSYIZGM-ZDUSSCGKSA-N -1 0 325.147 3.976 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cccc(F)c1F)c1cccc(Cl)c1 ZINC000740299022 600329074 /nfs/dbraw/zinc/32/90/74/600329074.db2.gz MKRLIHHQAIOFPJ-ZDUSSCGKSA-N -1 0 326.682 3.601 20 0 EHADRM O=C([O-])[C@@H](OC(=O)[C@H]1CCc2ccccc21)c1cccc(Cl)c1 ZINC000740291005 600329813 /nfs/dbraw/zinc/32/98/13/600329813.db2.gz KZXVUYOMHUCBBZ-HOTGVXAUSA-N -1 0 330.767 3.739 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cc(F)c(F)c(F)c1)c1cccc(Cl)c1 ZINC000740290424 600330043 /nfs/dbraw/zinc/33/00/43/600330043.db2.gz JDCXGGVUANNWGO-CYBMUJFWSA-N -1 0 344.672 3.740 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccc2c(c1)CCCN2)c1cccc(Cl)c1 ZINC000740300858 600330486 /nfs/dbraw/zinc/33/04/86/600330486.db2.gz XAFBNHSZPHZUNO-MRXNPFEDSA-N -1 0 345.782 3.681 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000739990521 600334980 /nfs/dbraw/zinc/33/49/80/600334980.db2.gz FKOJXUYGJVGJEJ-UHFFFAOYSA-N -1 0 339.273 3.516 20 0 EHADRM CC(C)C[C@H](NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccccc1 ZINC000736414011 600340738 /nfs/dbraw/zinc/34/07/38/600340738.db2.gz FSWIAJXPPBVHKB-SJORKVTESA-N -1 0 344.455 3.670 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccccc1Cl ZINC000736650077 600353473 /nfs/dbraw/zinc/35/34/73/600353473.db2.gz YXKXWZGNTDIFNR-NSHDSACASA-N -1 0 347.802 3.990 20 0 EHADRM CCCCc1oc2ccccc2c1/C=C/C(=O)OCCNC(=O)[O-] ZINC000737002947 600354748 /nfs/dbraw/zinc/35/47/48/600354748.db2.gz DTLCXPBITUPNJC-MDZDMXLPSA-N -1 0 331.368 3.599 20 0 EHADRM C[C@H](SCC(=O)Nc1ccsc1C(=O)[O-])c1cccs1 ZINC000736706628 600362358 /nfs/dbraw/zinc/36/23/58/600362358.db2.gz BTKYSFPDCSVHOD-QMMMGPOBSA-N -1 0 327.452 3.941 20 0 EHADRM O=C([O-])c1sc2ccccc2c1COC(=O)CC[C@@H]1CCCCO1 ZINC000739236286 600370404 /nfs/dbraw/zinc/37/04/04/600370404.db2.gz QLFCUOPLRDCPSE-LBPRGKRZSA-N -1 0 348.420 3.992 20 0 EHADRM Cc1cc(NC(=O)Cc2csc(-c3ccoc3)n2)sc1C(=O)[O-] ZINC000738237464 600371606 /nfs/dbraw/zinc/37/16/06/600371606.db2.gz IPTFBRRVMFTZFW-UHFFFAOYSA-N -1 0 348.405 3.652 20 0 EHADRM CCCN(C)c1ccc(C(=O)Nc2cc(C)c(C(=O)[O-])s2)cc1 ZINC000737007021 600372358 /nfs/dbraw/zinc/37/23/58/600372358.db2.gz ABQKHJGSPXQUHJ-UHFFFAOYSA-N -1 0 332.425 3.853 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CC/C=C\c1ccccc1 ZINC000531997503 600375252 /nfs/dbraw/zinc/37/52/52/600375252.db2.gz KNAJEGPWUQEAFK-FRMMMJKHSA-N -1 0 327.424 3.724 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000236975765 600377146 /nfs/dbraw/zinc/37/71/46/600377146.db2.gz VPGUMSHMZWZGKX-AUUYWEPGSA-N -1 0 325.408 3.685 20 0 EHADRM C[C@@H](CC(=O)N(C)C(C)(C)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000262497152 600378494 /nfs/dbraw/zinc/37/84/94/600378494.db2.gz XRDHTXZABOFJJV-JTQLQIEISA-N -1 0 331.334 3.521 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)/C=C\c2ccnc3ccccc23)c1 ZINC000493497096 600381388 /nfs/dbraw/zinc/38/13/88/600381388.db2.gz QCXHEKCRNBCUNW-VURMDHGXSA-N -1 0 336.322 3.724 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)C2C3CC4CC(C3)CC2C4)cc1 ZINC000740015812 600383431 /nfs/dbraw/zinc/38/34/31/600383431.db2.gz YMNYUFDDURWBCS-UHFFFAOYSA-N -1 0 342.439 3.508 20 0 EHADRM CCOc1cccc([C@H](C)NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC000737211942 600385036 /nfs/dbraw/zinc/38/50/36/600385036.db2.gz YJTNLRQPIXYPDT-NSHDSACASA-N -1 0 346.358 3.805 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1ccc(Cl)cc1OC)c1ccccc1 ZINC000736854553 600386869 /nfs/dbraw/zinc/38/68/69/600386869.db2.gz XSJVROWUSTXILE-HNNXBMFYSA-N -1 0 347.798 3.859 20 0 EHADRM O=C([O-])c1cc(NC(=O)NC[C@@H]2CCCc3ccccc32)ccc1F ZINC000739415331 600386941 /nfs/dbraw/zinc/38/69/41/600386941.db2.gz ROBOFWNHQVIWSB-ZDUSSCGKSA-N -1 0 342.370 3.766 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)c2cccc3ccccc32)cc1 ZINC000740019689 600387370 /nfs/dbraw/zinc/38/73/70/600387370.db2.gz GYSFCRQYFRNEIX-UHFFFAOYSA-N -1 0 334.375 3.902 20 0 EHADRM Cc1ccc(SCCNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000738667889 600387822 /nfs/dbraw/zinc/38/78/22/600387822.db2.gz KIWUBLCFWPFAPL-UHFFFAOYSA-N -1 0 348.399 3.746 20 0 EHADRM C[C@@H](NC(=O)c1cccc(C(=O)[O-])n1)c1cccc(Cl)c1Cl ZINC000362532990 600390551 /nfs/dbraw/zinc/39/05/51/600390551.db2.gz KNPSFZRZISLCOK-MRVPVSSYSA-N -1 0 339.178 3.578 20 0 EHADRM O=C([O-])COc1ccc(C(=O)NC(C2CCCC2)C2CCCC2)cc1 ZINC000739824491 600390804 /nfs/dbraw/zinc/39/08/04/600390804.db2.gz OTOGCLOGXBXDSB-UHFFFAOYSA-N -1 0 345.439 3.629 20 0 EHADRM CSC[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000237366559 600393248 /nfs/dbraw/zinc/39/32/48/600393248.db2.gz MYHVZMWEHHHQRK-WFASDCNBSA-N -1 0 337.485 3.615 20 0 EHADRM Cc1cccc([C@@H]2CCCCCN2C(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC000237787975 600396235 /nfs/dbraw/zinc/39/62/35/600396235.db2.gz WUVIWKYESQEJHW-SFHVURJKSA-N -1 0 338.407 3.846 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])cc2F)c(C)c1 ZINC000738589787 600396362 /nfs/dbraw/zinc/39/63/62/600396362.db2.gz XKOOMMXEAYHZES-CYBMUJFWSA-N -1 0 344.386 3.893 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H](c2ccccc2)C2CC2)c(F)c1 ZINC000739466338 600397776 /nfs/dbraw/zinc/39/77/76/600397776.db2.gz CAFCBBUGEWTTSE-MRXNPFEDSA-N -1 0 328.343 3.797 20 0 EHADRM O=C([O-])c1n[nH]c2ccc(NC(=O)CC/C=C\c3ccccc3)cc21 ZINC000739233373 600397989 /nfs/dbraw/zinc/39/79/89/600397989.db2.gz BPSFOFNDDFVUSW-YWEYNIOJSA-N -1 0 335.363 3.693 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NC2CC(c3ccccc3)C2)c(F)c1 ZINC000739466689 600399882 /nfs/dbraw/zinc/39/98/82/600399882.db2.gz FIGDMNHYAINROL-UHFFFAOYSA-N -1 0 328.343 3.592 20 0 EHADRM CCC[C@H](C)N(C)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736965257 600404442 /nfs/dbraw/zinc/40/44/42/600404442.db2.gz NYYYFEKONMPYKL-VIFPVBQESA-N -1 0 330.331 3.639 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)[C@@H](C)CC1CCCC1)C(=O)[O-] ZINC000237483409 600407509 /nfs/dbraw/zinc/40/75/09/600407509.db2.gz LUTXIFOAEKANFE-JKSUJKDBSA-N -1 0 331.456 3.952 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)N2CCCC3(CCCCC3)C2)cc1 ZINC000740121754 600410173 /nfs/dbraw/zinc/41/01/73/600410173.db2.gz JFPVZOMDUNBIFP-UHFFFAOYSA-N -1 0 344.455 3.683 20 0 EHADRM O=C([O-])[C@@H](NCc1ccc(Cl)o1)c1ccc(Br)cc1 ZINC000739499829 600417480 /nfs/dbraw/zinc/41/74/80/600417480.db2.gz KGYZBXFFVWCOQW-LBPRGKRZSA-N -1 0 344.592 3.611 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1ccc(C2SCCS2)cc1 ZINC000262655911 600417941 /nfs/dbraw/zinc/41/79/41/600417941.db2.gz SQHRSCQEAVFTDU-UHFFFAOYSA-N -1 0 339.482 3.538 20 0 EHADRM COCCOc1ccc(N[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000737822638 600422646 /nfs/dbraw/zinc/42/26/46/600422646.db2.gz XGXSCQVSVGJCAZ-INIZCTEOSA-N -1 0 335.787 3.603 20 0 EHADRM CC(C)(C)c1ccc2cc(C(=O)Nc3cc(C(=O)[O-])ccn3)[nH]c2c1 ZINC000736299511 600425781 /nfs/dbraw/zinc/42/57/81/600425781.db2.gz MQXOXRDXILESDE-UHFFFAOYSA-N -1 0 337.379 3.811 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)CCc2ccc(-c3ccccc3)o2)c1 ZINC000739251811 600427291 /nfs/dbraw/zinc/42/72/91/600427291.db2.gz NWDFJMZYVBTVLA-UHFFFAOYSA-N -1 0 336.347 3.611 20 0 EHADRM C[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736624752 600427482 /nfs/dbraw/zinc/42/74/82/600427482.db2.gz AFPAWWLGUOBKAN-NSHDSACASA-N -1 0 349.333 3.804 20 0 EHADRM C[C@@H](Cc1ccccc1)C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000237484758 600427497 /nfs/dbraw/zinc/42/74/97/600427497.db2.gz PILFHYWLPBANJJ-IRXDYDNUSA-N -1 0 339.435 3.615 20 0 EHADRM CC(C)(C)c1ccc(CCC(=O)Nc2cc(C(=O)[O-])ccn2)cc1 ZINC000736297906 600428847 /nfs/dbraw/zinc/42/88/47/600428847.db2.gz KZYMIBIFHWQRPO-UHFFFAOYSA-N -1 0 326.396 3.649 20 0 EHADRM Cc1c2ccccc2oc1C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738289151 600442017 /nfs/dbraw/zinc/44/20/17/600442017.db2.gz FHBFIYXTFIFMPB-INIZCTEOSA-N -1 0 328.295 3.863 20 0 EHADRM Cc1[nH]c(C(=O)[C@@H](C)N2CCC3(CCCC3)CC2)c(C)c1C(=O)[O-] ZINC000738237807 600442842 /nfs/dbraw/zinc/44/28/42/600442842.db2.gz XAYSWYYEZNIIBC-CQSZACIVSA-N -1 0 332.444 3.557 20 0 EHADRM O=C(/C=C\C1CCOCC1)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC000738454912 600447870 /nfs/dbraw/zinc/44/78/70/600447870.db2.gz SVCAGFARJUTMFQ-SREVYHEPSA-N -1 0 349.452 3.637 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccc2ccccc2c1O)c1ccc(F)cc1 ZINC000740291660 600448042 /nfs/dbraw/zinc/44/80/42/600448042.db2.gz NFYSBLKZSGCJIE-QGZVFWFLSA-N -1 0 340.306 3.667 20 0 EHADRM CC(C)(CC(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000736317209 600453296 /nfs/dbraw/zinc/45/32/96/600453296.db2.gz KRQOIERCZMXSTB-QGZVFWFLSA-N -1 0 330.355 3.863 20 0 EHADRM CC(C)(CC(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000736317208 600453448 /nfs/dbraw/zinc/45/34/48/600453448.db2.gz KRQOIERCZMXSTB-KRWDZBQOSA-N -1 0 330.355 3.863 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)OCC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000736906138 600453811 /nfs/dbraw/zinc/45/38/11/600453811.db2.gz YCJIVHBNNCWOPU-AWEZNQCLSA-N -1 0 349.427 3.662 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1c[nH]c2cc(Cl)ccc21)c1ccc(F)cc1 ZINC000740288129 600454277 /nfs/dbraw/zinc/45/42/77/600454277.db2.gz AOIAIOUAMLBWQU-HNNXBMFYSA-N -1 0 347.729 3.943 20 0 EHADRM C[C@]1(C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)CCCc2ccccc21 ZINC000736728153 600454720 /nfs/dbraw/zinc/45/47/20/600454720.db2.gz JMJIFRSRLDDZEM-PXNSSMCTSA-N -1 0 342.366 3.789 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)N[C@@H]2CSc3ccccc32)cc1 ZINC000737330723 600463215 /nfs/dbraw/zinc/46/32/15/600463215.db2.gz FLVAQBSOTPVTAO-CQSZACIVSA-N -1 0 343.408 3.769 20 0 EHADRM C[C@H](NC(=O)N1CCC(C(=O)[O-])CC1)c1cccc(Cl)c1Cl ZINC000263251945 600466198 /nfs/dbraw/zinc/46/61/98/600466198.db2.gz PBFKOWKRGUHGKY-VIFPVBQESA-N -1 0 345.226 3.561 20 0 EHADRM CCCCc1ccc(NC(=S)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000737005011 600466896 /nfs/dbraw/zinc/46/68/96/600466896.db2.gz YTVOAQMXTWTJQO-UHFFFAOYSA-N -1 0 332.425 3.807 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)[C@H]1CSc2ccccc21)c1ccccc1 ZINC000173955454 600475311 /nfs/dbraw/zinc/47/53/11/600475311.db2.gz JCYGPGKQXDYSIA-HOTGVXAUSA-N -1 0 341.432 3.598 20 0 EHADRM CC[C@H](C)[C@H]1CCCCN1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000736880364 600476352 /nfs/dbraw/zinc/47/63/52/600476352.db2.gz OWNAQRRNQPSCOZ-XJKSGUPXSA-N -1 0 334.416 3.583 20 0 EHADRM CSc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)o1 ZINC000738199444 600477773 /nfs/dbraw/zinc/47/77/73/600477773.db2.gz LCRKNDWOMCHFPY-UHFFFAOYSA-N -1 0 346.408 3.552 20 0 EHADRM CCN(CC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000737069824 600479652 /nfs/dbraw/zinc/47/96/52/600479652.db2.gz WCNTUDXQKLMGLA-UHFFFAOYSA-N -1 0 332.787 3.503 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000263097540 600488413 /nfs/dbraw/zinc/48/84/13/600488413.db2.gz WDQNHQWCQIRICR-HOTGVXAUSA-N -1 0 332.444 3.670 20 0 EHADRM O=C([O-])[C@H](Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1)c1ccccc1 ZINC000738523325 600502656 /nfs/dbraw/zinc/50/26/56/600502656.db2.gz AWZNQLUUWAHZCO-CEXWTWQISA-N -1 0 341.407 3.607 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)C1CC1 ZINC000263242119 600503763 /nfs/dbraw/zinc/50/37/63/600503763.db2.gz NWEMSLJPJCQOST-SFHVURJKSA-N -1 0 338.407 3.644 20 0 EHADRM Cc1ccc(OC(=O)Cc2csc(-c3ccoc3)n2)c(C(=O)[O-])c1 ZINC000738637100 600510924 /nfs/dbraw/zinc/51/09/24/600510924.db2.gz AJBXUDKQTVJFLK-UHFFFAOYSA-N -1 0 343.360 3.558 20 0 EHADRM COc1cc(CNC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)ccc1C ZINC000737887641 600511253 /nfs/dbraw/zinc/51/12/53/600511253.db2.gz XQAKURCHCPYGJY-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM Cc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCC(CC(=O)[O-])CC1 ZINC000738320548 600515661 /nfs/dbraw/zinc/51/56/61/600515661.db2.gz ISDWMFHTOQSDCN-GOSISDBHSA-N -1 0 346.471 3.979 20 0 EHADRM COC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000737745498 600516738 /nfs/dbraw/zinc/51/67/38/600516738.db2.gz FRMREDCTHWBSNA-OAHLLOKOSA-N -1 0 348.786 3.547 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)Cc2c[nH]c3ccc(Cl)cc23)cc1 ZINC000739883036 600521575 /nfs/dbraw/zinc/52/15/75/600521575.db2.gz CELVMLDDLPRSAW-UHFFFAOYSA-N -1 0 343.766 3.597 20 0 EHADRM Cc1oc(COC(=O)[C@H](Cc2ccccc2)C(C)C)cc1C(=O)[O-] ZINC000738984477 600522068 /nfs/dbraw/zinc/52/20/68/600522068.db2.gz VOVROCKRIROPIZ-MRXNPFEDSA-N -1 0 330.380 3.844 20 0 EHADRM Cc1cccc([C@@H](C)C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)c1 ZINC000362525059 600524694 /nfs/dbraw/zinc/52/46/94/600524694.db2.gz KUAGCVGNOSYKJM-CQSZACIVSA-N -1 0 345.826 3.865 20 0 EHADRM O=C([O-])c1cc(Oc2ccccc2)ccc1NC(=O)C[C@@H]1CCOC1 ZINC000739220701 600525475 /nfs/dbraw/zinc/52/54/75/600525475.db2.gz BOKNFSJDTCXOOH-ZDUSSCGKSA-N -1 0 341.363 3.542 20 0 EHADRM CCN(C(=O)c1cc(Cl)c(Cl)n1C)c1ccccc1C(=O)[O-] ZINC000737057509 600531718 /nfs/dbraw/zinc/53/17/18/600531718.db2.gz GCYYEAYFJMVNKA-UHFFFAOYSA-N -1 0 341.194 3.697 20 0 EHADRM CCCCN(CC)c1ccc(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)cc1 ZINC000736993970 600531959 /nfs/dbraw/zinc/53/19/59/600531959.db2.gz LYPFAZQQWYTZMH-MRXNPFEDSA-N -1 0 334.460 3.542 20 0 EHADRM C[C@@H](CC(=O)N[C@H](C(=O)[O-])C(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC000675986489 600533410 /nfs/dbraw/zinc/53/34/10/600533410.db2.gz JNDCOUSSAFYGOM-IINYFYTJSA-N -1 0 345.361 3.815 20 0 EHADRM CC(C)(C)[C@H](NC(=O)CCCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000736241133 600534250 /nfs/dbraw/zinc/53/42/50/600534250.db2.gz GIJYPPBEKXMTSM-CQSZACIVSA-N -1 0 346.254 3.932 20 0 EHADRM CC1(C)CCCN(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC000736732365 600546804 /nfs/dbraw/zinc/54/68/04/600546804.db2.gz HYEMYUHAUZTOGL-UHFFFAOYSA-N -1 0 345.443 3.639 20 0 EHADRM C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccsc1C(=O)[O-] ZINC000736703105 600551692 /nfs/dbraw/zinc/55/16/92/600551692.db2.gz MMEVRBVWDBTRHX-ZETCQYMHSA-N -1 0 343.763 3.645 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1OC(=O)CCCc1ccccn1 ZINC000739236557 600552326 /nfs/dbraw/zinc/55/23/26/600552326.db2.gz NIDFZECWPLIDPG-UHFFFAOYSA-N -1 0 335.359 3.861 20 0 EHADRM CC(C)[C@@H](C)C(=O)N(C)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000736350470 600555007 /nfs/dbraw/zinc/55/50/07/600555007.db2.gz YALVWEMYSQXCQT-RNCFNFMXSA-N -1 0 332.227 3.870 20 0 EHADRM CCC[C@@H](C)C(=O)N(Cc1ccoc1C(=O)[O-])[C@H](C)c1ccccn1 ZINC000736960081 600555528 /nfs/dbraw/zinc/55/55/28/600555528.db2.gz VFQGLRMHFJPHDF-ZIAGYGMSSA-N -1 0 344.411 3.899 20 0 EHADRM Cc1cc(NC(=O)NCc2ccc3ccccc3n2)ccc1C(=O)[O-] ZINC000738444381 600558655 /nfs/dbraw/zinc/55/86/55/600558655.db2.gz OQCKCDTZBMXHTA-UHFFFAOYSA-N -1 0 335.363 3.563 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)N(CCC(=O)[O-])C(C)C)ccc1C(C)C ZINC000236743489 600559599 /nfs/dbraw/zinc/55/95/99/600559599.db2.gz PEOMBRFMOGIFTB-OAHLLOKOSA-N -1 0 335.444 3.597 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000740045239 600567882 /nfs/dbraw/zinc/56/78/82/600567882.db2.gz GBZLUHSWCFLPLU-CQSZACIVSA-N -1 0 346.383 3.883 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N[C@@H]1CCc2c1cccc2Cl ZINC000740048130 600574631 /nfs/dbraw/zinc/57/46/31/600574631.db2.gz YSLXCSGZKBNQBZ-OAHLLOKOSA-N -1 0 330.771 3.847 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cc(Cl)cc3cccnc32)cc1 ZINC000740133543 600580129 /nfs/dbraw/zinc/58/01/29/600580129.db2.gz LHNMVUPULUYDQM-UHFFFAOYSA-N -1 0 341.750 3.943 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)c1cc3occc3s1)CCC2 ZINC000739491079 600582877 /nfs/dbraw/zinc/58/28/77/600582877.db2.gz WCAHWHAHHQPOHC-UHFFFAOYSA-N -1 0 333.390 3.995 20 0 EHADRM CC(C)[C@@H](S[C@H](C)CC(=O)[O-])C(=O)N1CCCc2ccccc21 ZINC000736549038 600583580 /nfs/dbraw/zinc/58/35/80/600583580.db2.gz GZLGWMWCFZPMBH-CXAGYDPISA-N -1 0 335.469 3.587 20 0 EHADRM C[C@H](CC(=O)[O-])SCc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000736557145 600584474 /nfs/dbraw/zinc/58/44/74/600584474.db2.gz RJAPZLWANIBPBK-LLVKDONJSA-N -1 0 334.416 3.597 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)c2cc3occc3s2)cc1 ZINC000739738547 600586145 /nfs/dbraw/zinc/58/61/45/600586145.db2.gz JDBBTTAMTHUFER-UHFFFAOYSA-N -1 0 331.349 3.600 20 0 EHADRM CN(Cc1ccc(NC(=O)c2cc3occc3s2)cc1)C(=O)[O-] ZINC000737485360 600589082 /nfs/dbraw/zinc/58/90/82/600589082.db2.gz KEJXZTKVZFBZRB-UHFFFAOYSA-N -1 0 330.365 3.856 20 0 EHADRM CC[C@@H](Nc1ccccc1)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000736924837 600589071 /nfs/dbraw/zinc/58/90/71/600589071.db2.gz PQQDJSZNNOYGRX-MSOLQXFVSA-N -1 0 340.423 3.599 20 0 EHADRM C[C@@H](CC(=O)[O-])SCC(=O)NCC1(c2ccccc2)CCCCC1 ZINC000736554311 600592211 /nfs/dbraw/zinc/59/22/11/600592211.db2.gz YGDLHUASMOQEMX-HNNXBMFYSA-N -1 0 349.496 3.601 20 0 EHADRM Cc1ccc(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)cc1-n1cccc1 ZINC000738505213 600592848 /nfs/dbraw/zinc/59/28/48/600592848.db2.gz YBLPMPNRTFHVML-IBGZPJMESA-N -1 0 348.402 3.684 20 0 EHADRM O=C([O-])Nc1ccc(N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)cc1 ZINC000738668152 600595129 /nfs/dbraw/zinc/59/51/29/600595129.db2.gz WIVKFAIKIYEFFQ-HNNXBMFYSA-N -1 0 345.786 3.647 20 0 EHADRM C[C@H](CC(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-])C1CC1 ZINC000736541882 600598854 /nfs/dbraw/zinc/59/88/54/600598854.db2.gz POLIIMFSGAOPOV-RDTXWAMCSA-N -1 0 339.435 3.636 20 0 EHADRM Cc1cc(C)c(NC(=O)[C@H](C)SC[C@H](C)C(=O)[O-])c(Cl)c1 ZINC000738357196 600599245 /nfs/dbraw/zinc/59/92/45/600599245.db2.gz AVZYXCKLRDVNLL-QWRGUYRKSA-N -1 0 329.849 3.738 20 0 EHADRM CC(C)Cc1ccc([C@@H](C)NC(=O)CSC[C@H](C)C(=O)[O-])cc1 ZINC000736454819 600602826 /nfs/dbraw/zinc/60/28/26/600602826.db2.gz XCSFGTJKUZJAIY-UONOGXRCSA-N -1 0 337.485 3.516 20 0 EHADRM O=C([O-])[C@H](CNC(=O)CC1CCCC1)Cc1ccc2ccccc2c1 ZINC000486367525 600604888 /nfs/dbraw/zinc/60/48/88/600604888.db2.gz DLNFPTIAJXVHGA-IBGZPJMESA-N -1 0 339.435 3.780 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc2c(c1)Cc1ccccc1-2)c1ccccc1 ZINC000337764601 600605061 /nfs/dbraw/zinc/60/50/61/600605061.db2.gz YQUFKRYGRGURPD-UHFFFAOYSA-N -1 0 343.382 3.989 20 0 EHADRM C[C@@H](SC[C@@H](C)C(=O)[O-])C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000736615145 600605098 /nfs/dbraw/zinc/60/50/98/600605098.db2.gz FZMWNAFOAQKTQV-MGPQQGTHSA-N -1 0 349.496 3.585 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)N(CC(=O)[O-])c1ccccc1 ZINC000337751403 600606782 /nfs/dbraw/zinc/60/67/82/600606782.db2.gz QEPVDASWEWGBQH-GFCCVEGCSA-N -1 0 349.839 3.938 20 0 EHADRM CCN(CCC(F)(F)F)c1nc(C)nc2sc(C(=O)[O-])c(C)c21 ZINC000737101179 600611280 /nfs/dbraw/zinc/61/12/80/600611280.db2.gz XKZRGKKMTGCYCL-UHFFFAOYSA-N -1 0 347.362 3.785 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1OC(=O)[C@@H]1COc2ccccc21 ZINC000740096690 600616355 /nfs/dbraw/zinc/61/63/55/600616355.db2.gz KWKWTNUQVRCIHO-MRXNPFEDSA-N -1 0 334.327 3.620 20 0 EHADRM O=C([O-])[C@@H](OC(=O)Cc1c[nH]c2ccc(Cl)cc12)c1ccccc1 ZINC000739339557 600619984 /nfs/dbraw/zinc/61/99/84/600619984.db2.gz ZUNQKLMSLUMAND-KRWDZBQOSA-N -1 0 343.766 3.733 20 0 EHADRM C[C@H](OCc1ccccc1)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000379459433 600623607 /nfs/dbraw/zinc/62/36/07/600623607.db2.gz QTLGHSCLENAHAH-NSHDSACASA-N -1 0 333.771 3.582 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2ccccc2OC(F)F)c1 ZINC000178255755 600624432 /nfs/dbraw/zinc/62/44/32/600624432.db2.gz LCEDBJPRINLAFM-UHFFFAOYSA-N -1 0 341.697 3.892 20 0 EHADRM Cc1cc(OCc2cc3c(c(Cl)c2)OCO3)c(C(=O)[O-])s1 ZINC000070428608 600638653 /nfs/dbraw/zinc/63/86/53/600638653.db2.gz UPLIACYAUFPAEC-UHFFFAOYSA-N -1 0 326.757 3.716 20 0 EHADRM CC(C)(C)[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000678978858 600642455 /nfs/dbraw/zinc/64/24/55/600642455.db2.gz LUXAHTATAMGQCH-GVDBMIGSSA-N -1 0 325.408 3.559 20 0 EHADRM CC(C)(C)[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000678978859 600642554 /nfs/dbraw/zinc/64/25/54/600642554.db2.gz LUXAHTATAMGQCH-IXDOHACOSA-N -1 0 325.408 3.559 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000179976679 600660943 /nfs/dbraw/zinc/66/09/43/600660943.db2.gz AVTCBHDKTRWHSG-MJBXVCDLSA-N -1 0 329.396 3.809 20 0 EHADRM CC(C)(CNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000179984004 600662198 /nfs/dbraw/zinc/66/21/98/600662198.db2.gz DZBYNCCVYZMIJU-STQMWFEESA-N -1 0 337.847 3.625 20 0 EHADRM CSC[C@@H](C)C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000832753126 600665778 /nfs/dbraw/zinc/66/57/78/600665778.db2.gz FLXFVTZKOXYTLM-HQJQHLMTSA-N -1 0 337.224 3.661 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCC[C@H](c3ccccc3)CC2)C1 ZINC000245668113 600665783 /nfs/dbraw/zinc/66/57/83/600665783.db2.gz GXYWTNVGYUBCHP-OKZBNKHCSA-N -1 0 329.440 3.674 20 0 EHADRM Cc1ncccc1C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000833009545 600666179 /nfs/dbraw/zinc/66/61/79/600666179.db2.gz ZSLCVTLFQUZULC-ZDUSSCGKSA-N -1 0 340.162 3.680 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000828900741 600667811 /nfs/dbraw/zinc/66/78/11/600667811.db2.gz KYHRPOIYBQIYFM-YOEHRIQHSA-N -1 0 330.355 3.764 20 0 EHADRM C[C@@H](CC(=O)O[C@H](C(=O)[O-])c1ccccc1F)c1ccc(F)cc1 ZINC000827391840 600669032 /nfs/dbraw/zinc/66/90/32/600669032.db2.gz LSOZGBPFNIIKST-GTNSWQLSSA-N -1 0 334.318 3.828 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)Oc1ccccc1CC(=O)[O-] ZINC000736710105 600676088 /nfs/dbraw/zinc/67/60/88/600676088.db2.gz ZKQFJTMWCQBORH-CYBMUJFWSA-N -1 0 330.405 3.541 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)/C=C/c1nc2ccccc2s1 ZINC000739892403 600676195 /nfs/dbraw/zinc/67/61/95/600676195.db2.gz PMNMWNKWYKAQIM-MDZDMXLPSA-N -1 0 339.372 3.542 20 0 EHADRM CCN(C(=O)CNc1ccc(C(C)(C)C(=O)[O-])cc1)c1ccccc1 ZINC000737060427 600679847 /nfs/dbraw/zinc/67/98/47/600679847.db2.gz LDCYAOMWBAUQEZ-UHFFFAOYSA-N -1 0 340.423 3.514 20 0 EHADRM CS[C@@H](C(=O)O[C@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000832736211 600679998 /nfs/dbraw/zinc/67/99/98/600679998.db2.gz SHHMXCALSRMXNC-LSDHHAIUSA-N -1 0 334.368 3.599 20 0 EHADRM CS[C@@H](C(=O)O[C@@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000832736210 600680095 /nfs/dbraw/zinc/68/00/95/600680095.db2.gz SHHMXCALSRMXNC-HUUCEWRRSA-N -1 0 334.368 3.599 20 0 EHADRM CC(C)C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000427973049 600687640 /nfs/dbraw/zinc/68/76/40/600687640.db2.gz NLSRPVXHLJEPBN-SFHVURJKSA-N -1 0 325.408 3.831 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2Cl)c1 ZINC000740028974 600690327 /nfs/dbraw/zinc/69/03/27/600690327.db2.gz MJNJEZLJXZJPNS-FZMZJTMJSA-N -1 0 348.761 3.855 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@H]2C[C@H]2c2c(F)cccc2Cl)cc1 ZINC000738662450 600690464 /nfs/dbraw/zinc/69/04/64/600690464.db2.gz VHFBNASPDMWWIF-RISCZKNCSA-N -1 0 348.761 3.855 20 0 EHADRM O=C([O-])c1ccc(-c2noc([C@H]3SCCc4ccccc43)n2)cc1 ZINC000833307320 600692980 /nfs/dbraw/zinc/69/29/80/600692980.db2.gz FGFILUJFUUTAHJ-HNNXBMFYSA-N -1 0 338.388 3.814 20 0 EHADRM O=C([O-])CCC(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000738566099 600693199 /nfs/dbraw/zinc/69/31/99/600693199.db2.gz ULEQUIIRXSTVHZ-UHFFFAOYSA-N -1 0 341.738 3.798 20 0 EHADRM COc1ccc(-c2nc(-c3cccc(C(=O)[O-])c3)no2)c(Cl)c1 ZINC000832124287 600696677 /nfs/dbraw/zinc/69/66/77/600696677.db2.gz OOKGBFOFLQOENQ-UHFFFAOYSA-N -1 0 330.727 3.764 20 0 EHADRM Cc1cc(OCc2nc(-c3cccc(C(=O)[O-])c3)no2)ccc1Cl ZINC000832900694 600699153 /nfs/dbraw/zinc/69/91/53/600699153.db2.gz KANOCXOZLQZZIJ-UHFFFAOYSA-N -1 0 344.754 3.976 20 0 EHADRM Cc1cccc(C)c1NCC(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000832966039 600701881 /nfs/dbraw/zinc/70/18/81/600701881.db2.gz YCMONCZIKDOZEB-KRWDZBQOSA-N -1 0 347.798 3.738 20 0 EHADRM C[C@@H](OC(=O)[C@@H](C)CCc1cccc(F)c1)c1ccc(C(=O)[O-])o1 ZINC000827427353 600721637 /nfs/dbraw/zinc/72/16/37/600721637.db2.gz GORAVLAZLNQPMB-NWDGAFQWSA-N -1 0 334.343 3.990 20 0 EHADRM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000823966687 600722429 /nfs/dbraw/zinc/72/24/29/600722429.db2.gz ZROPDCXSXQTVMD-CYBMUJFWSA-N -1 0 344.411 3.673 20 0 EHADRM C/C(=C\C(=O)O[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C)C(C)(C)C ZINC000825723965 600723316 /nfs/dbraw/zinc/72/33/16/600723316.db2.gz FVRIKGAFINFRQZ-CNELAYHGSA-N -1 0 347.411 3.556 20 0 EHADRM C[C@@H]1CCN(C(=O)NCCCCCCC(=O)[O-])[C@H](c2ccco2)C1 ZINC000828279408 600724457 /nfs/dbraw/zinc/72/44/57/600724457.db2.gz ZQMITJKBDCPPIY-CABCVRRESA-N -1 0 336.432 3.797 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2C(=O)NCCCCCCC(=O)[O-])o1 ZINC000832928661 600725036 /nfs/dbraw/zinc/72/50/36/600725036.db2.gz GCJZFHGXRPNXPV-HNNXBMFYSA-N -1 0 336.432 3.860 20 0 EHADRM CSc1ccc(O[C@@H](C)C(=O)OCc2cccc(C(=O)[O-])c2)cc1 ZINC000738213469 600734763 /nfs/dbraw/zinc/73/47/63/600734763.db2.gz YNUGTJZLIJVRJD-LBPRGKRZSA-N -1 0 346.404 3.617 20 0 EHADRM C[C@H]1CC[C@@H](CCC(=O)OCc2c3ccccc3sc2C(=O)[O-])O1 ZINC000828226197 600736799 /nfs/dbraw/zinc/73/67/99/600736799.db2.gz PVDCDWZHQZYDLQ-RYUDHWBXSA-N -1 0 348.420 3.990 20 0 EHADRM C[C@H](OC(=O)[C@@H]1C[C@]12CCCc1ccccc12)c1ccc(C(=O)[O-])o1 ZINC000827818663 600737167 /nfs/dbraw/zinc/73/71/67/600737167.db2.gz VLYAADZHODIXAJ-LCMPSIMXSA-N -1 0 340.375 3.876 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Nc2ccccc2OCC2CC2)cc1 ZINC000739467393 600742734 /nfs/dbraw/zinc/74/27/34/600742734.db2.gz RYBLVHKIIPBNRG-UHFFFAOYSA-N -1 0 326.352 3.818 20 0 EHADRM C[C@H](N[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl)c1ccccn1 ZINC000832840231 600744415 /nfs/dbraw/zinc/74/44/15/600744415.db2.gz UMKSOEBNIUWNJX-LKFCYVNXSA-N -1 0 325.195 3.865 20 0 EHADRM CCC(CC)(CNC(=O)NC1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000263233732 600747857 /nfs/dbraw/zinc/74/78/57/600747857.db2.gz MTKVVDGKDYXXLV-UHFFFAOYSA-N -1 0 346.471 3.687 20 0 EHADRM O=C([O-])CCCCCCNC(=O)NC1(c2cccc(Cl)c2)CC1 ZINC000739666266 600751091 /nfs/dbraw/zinc/75/10/91/600751091.db2.gz KSYXORXWNTXAEX-UHFFFAOYSA-N -1 0 338.835 3.663 20 0 EHADRM CC(C)(CC(=O)[O-])NC(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000736311824 600774244 /nfs/dbraw/zinc/77/42/44/600774244.db2.gz DQIJEPNBHSRCLT-UHFFFAOYSA-N -1 0 333.334 3.615 20 0 EHADRM CCC(CC)(C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC000357031664 600784581 /nfs/dbraw/zinc/78/45/81/600784581.db2.gz RGJMMAUXTKLUEM-SFHVURJKSA-N -1 0 339.435 3.557 20 0 EHADRM CCC(CC)(C(=O)NC[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000262488913 600787201 /nfs/dbraw/zinc/78/72/01/600787201.db2.gz LSOTYYDIHISGES-GOSISDBHSA-N -1 0 339.435 3.729 20 0 EHADRM CCN(C(=O)Cc1c[nH]c2c1cccc2C)c1ccccc1C(=O)[O-] ZINC000737060271 600787992 /nfs/dbraw/zinc/78/79/92/600787992.db2.gz PFNBCRRXRIWRQQ-UHFFFAOYSA-N -1 0 336.391 3.770 20 0 EHADRM CC(C)C[C@H](OC(=O)c1cc(Oc2ccccc2)ccn1)C(=O)[O-] ZINC000826820721 600801552 /nfs/dbraw/zinc/80/15/52/600801552.db2.gz TVHJSQVCHHJBQV-INIZCTEOSA-N -1 0 329.352 3.530 20 0 EHADRM Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)c(C)c1 ZINC000776676221 600801830 /nfs/dbraw/zinc/80/18/30/600801830.db2.gz DPJDISJUQLCQEG-MRXNPFEDSA-N -1 0 331.799 3.903 20 0 EHADRM O=C([O-])c1ccc(OCCOc2ccc(F)c(F)c2)c(Cl)c1 ZINC000833322340 600802582 /nfs/dbraw/zinc/80/25/82/600802582.db2.gz KXKHGLOWNFQEJY-UHFFFAOYSA-N -1 0 328.698 3.774 20 0 EHADRM COc1ccc2cc([C@@H](C)OC(=O)[C@H](NC(=O)[O-])C(C)C)ccc2c1 ZINC000832504218 600802808 /nfs/dbraw/zinc/80/28/08/600802808.db2.gz INISAZXFJYLRPT-SJKOYZFVSA-N -1 0 345.395 3.745 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cccc2cc[nH]c21)c1cccc(Cl)c1 ZINC000776674943 600802960 /nfs/dbraw/zinc/80/29/60/600802960.db2.gz NVPMTCYDLMAUSQ-OAHLLOKOSA-N -1 0 342.782 3.767 20 0 EHADRM C[C@@H](OC(=O)c1cccc(C(=O)[O-])c1)c1ncc(-c2ccccc2)o1 ZINC000736700886 600803096 /nfs/dbraw/zinc/80/30/96/600803096.db2.gz ZWBKZPIRBKPRMT-GFCCVEGCSA-N -1 0 337.331 3.958 20 0 EHADRM Cc1ccccc1S[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000832982023 600805945 /nfs/dbraw/zinc/80/59/45/600805945.db2.gz VFNUROWNTDOKBR-CYBMUJFWSA-N -1 0 333.434 3.652 20 0 EHADRM O=C([O-])c1ccoc1COc1cccc(NC(=O)c2cccs2)c1 ZINC000833159709 600806342 /nfs/dbraw/zinc/80/63/42/600806342.db2.gz JVVNNJHNMZIFSU-UHFFFAOYSA-N -1 0 343.360 3.871 20 0 EHADRM COc1cc(CNc2nc(Cl)c(C(=O)[O-])s2)c2ccccc2n1 ZINC000831999961 600821627 /nfs/dbraw/zinc/82/16/27/600821627.db2.gz GJWNYSOSBWETRB-UHFFFAOYSA-N -1 0 349.799 3.664 20 0 EHADRM Cc1cccc2c(CCC(=O)Nc3ccc(CC(=O)[O-])cc3)c[nH]c21 ZINC000347139633 600829341 /nfs/dbraw/zinc/82/93/41/600829341.db2.gz SBLOOARQCJFOEW-UHFFFAOYSA-N -1 0 336.391 3.675 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)c(C(=O)[O-])c1 ZINC000543446152 600833329 /nfs/dbraw/zinc/83/33/29/600833329.db2.gz CPARFAJPQQYWDC-DGCLKSJQSA-N -1 0 331.318 3.714 20 0 EHADRM CCn1cnnc1S[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000830435313 600835090 /nfs/dbraw/zinc/83/50/90/600835090.db2.gz NVOQACJTMJTMNB-JTQLQIEISA-N -1 0 332.212 3.523 20 0 EHADRM Cc1ccc(C)c([C@H]2CN(Cc3occc3C(=O)[O-])[C@@H](C)CO2)c1 ZINC000577760736 600835579 /nfs/dbraw/zinc/83/55/79/600835579.db2.gz ONXJNHVNHRUIJZ-KBXCAEBGSA-N -1 0 329.396 3.557 20 0 EHADRM CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000179962980 600838848 /nfs/dbraw/zinc/83/88/48/600838848.db2.gz VCPANEHVNKXMDS-GJZGRUSLSA-N -1 0 337.847 3.968 20 0 EHADRM C[C@@H](CC(=O)N(C)C(C)(C)C(=O)[O-])c1ccccc1C(F)(F)F ZINC000262501851 600838996 /nfs/dbraw/zinc/83/89/96/600838996.db2.gz YPCLRZIFUSARED-JTQLQIEISA-N -1 0 331.334 3.521 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)ccc1C(=O)[O-] ZINC000237814299 600839048 /nfs/dbraw/zinc/83/90/48/600839048.db2.gz MVZOYJMQLBNBMW-UKRRQHHQSA-N -1 0 331.318 3.714 20 0 EHADRM CCc1ccc(CC(=O)Nc2ccc(OCCCC(=O)[O-])cc2)cc1 ZINC000237160302 600841514 /nfs/dbraw/zinc/84/15/14/600841514.db2.gz WINKHWITLNJURN-UHFFFAOYSA-N -1 0 341.407 3.674 20 0 EHADRM CC[C@@H]1C[C@H](C)CN1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000829075097 600842856 /nfs/dbraw/zinc/84/28/56/600842856.db2.gz MJTFJVLOXMRHDT-SWLSCSKDSA-N -1 0 336.457 3.657 20 0 EHADRM CC[C@H]1C[C@@H](C)CN1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000829074786 600842970 /nfs/dbraw/zinc/84/29/70/600842970.db2.gz JEKAUWIQFXGIOA-KOLCDFICSA-N -1 0 342.342 3.639 20 0 EHADRM O=C([O-])c1ccc(CSc2nnc(CCCc3ccccc3)o2)o1 ZINC000833317279 600844995 /nfs/dbraw/zinc/84/49/95/600844995.db2.gz QUWCFWOQMZCGRM-UHFFFAOYSA-N -1 0 344.392 3.828 20 0 EHADRM CSc1ccccc1C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000390859196 600847715 /nfs/dbraw/zinc/84/77/15/600847715.db2.gz LGVPPTFKKFODKU-LBPRGKRZSA-N -1 0 327.405 3.627 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(OC2CCC2)cc1 ZINC000832915084 600848024 /nfs/dbraw/zinc/84/80/24/600848024.db2.gz HBLYMOSPRAQHIM-UHFFFAOYSA-N -1 0 325.364 3.877 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000237352633 600851208 /nfs/dbraw/zinc/85/12/08/600851208.db2.gz IQXLDZKPGCXJRU-KBXCAEBGSA-N -1 0 343.398 3.727 20 0 EHADRM CC(C)Oc1ccc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000327129978 600862690 /nfs/dbraw/zinc/86/26/90/600862690.db2.gz ABHNHBRXZWBXIJ-HNNXBMFYSA-N -1 0 339.391 3.693 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)[C@@H]2SCCc3sccc32)cc1 ZINC000833290874 600862813 /nfs/dbraw/zinc/86/28/13/600862813.db2.gz XFPYATQAUJLRMD-CYBMUJFWSA-N -1 0 335.406 3.774 20 0 EHADRM COc1ccc([C@H](C)Nc2ccc(CN(C)C(=O)[O-])cc2)cc1OC ZINC000832227046 600864606 /nfs/dbraw/zinc/86/46/06/600864606.db2.gz VZAQMNXOLLNVGA-ZDUSSCGKSA-N -1 0 344.411 3.987 20 0 EHADRM CCC[C@@](C)(NC(=O)/C=C(\C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000766913684 600866930 /nfs/dbraw/zinc/86/69/30/600866930.db2.gz FSOVVKMFYIIMLC-PXUDHTSWSA-N -1 0 343.345 3.868 20 0 EHADRM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000326615777 600871056 /nfs/dbraw/zinc/87/10/56/600871056.db2.gz LCPUIOUEMVDFCX-JKSUJKDBSA-N -1 0 331.456 3.834 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C[C@@H](C)C(=O)c1cccc(F)c1 ZINC000832914318 600871844 /nfs/dbraw/zinc/87/18/44/600871844.db2.gz BSNPPCWQVBUVFW-GFCCVEGCSA-N -1 0 343.354 3.680 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)C[C@H]2CCC[C@H](C)C2)c1OC ZINC000262460640 600875561 /nfs/dbraw/zinc/87/55/61/600875561.db2.gz IKINKGNNBIABII-RYUDHWBXSA-N -1 0 335.400 3.557 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000479520398 600877999 /nfs/dbraw/zinc/87/79/99/600877999.db2.gz WPBIEHLVHIZPBA-NSHDSACASA-N -1 0 333.334 3.870 20 0 EHADRM Cn1c(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc2ccccc21 ZINC000531753075 600879399 /nfs/dbraw/zinc/87/93/99/600879399.db2.gz BVEZXWXNRNGRQL-UHFFFAOYSA-N -1 0 336.391 3.793 20 0 EHADRM Cc1ccc(C)c(CC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000261741342 600879906 /nfs/dbraw/zinc/87/99/06/600879906.db2.gz SVQRWTFTJCYPLH-UHFFFAOYSA-N -1 0 325.408 3.847 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000621557855 600880135 /nfs/dbraw/zinc/88/01/35/600880135.db2.gz QYRVWORQWFIXOR-KKXDTOCCSA-N -1 0 345.439 3.601 20 0 EHADRM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC000262297529 600880853 /nfs/dbraw/zinc/88/08/53/600880853.db2.gz WYVFHJWNKNZFJC-CQSZACIVSA-N -1 0 341.407 3.763 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C(=O)c2ccc(Cl)cc2)cc1 ZINC000736230644 600881578 /nfs/dbraw/zinc/88/15/78/600881578.db2.gz NXUXTRKCLQQFNF-UHFFFAOYSA-N -1 0 345.782 3.524 20 0 EHADRM CCc1cccc(OCC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000327233793 600882295 /nfs/dbraw/zinc/88/22/95/600882295.db2.gz RXTPJXTZNLLKGU-UHFFFAOYSA-N -1 0 341.407 3.629 20 0 EHADRM CC(C)Oc1cccc([C@H](C)NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000245749123 600891573 /nfs/dbraw/zinc/89/15/73/600891573.db2.gz TUCBCLYFXXFLNT-NUEKZKHPSA-N -1 0 333.428 3.542 20 0 EHADRM COc1cc(C(=O)[O-])cc(N[C@@H](C)CCc2ccccc2)c1OC ZINC000831913728 600894781 /nfs/dbraw/zinc/89/47/81/600894781.db2.gz VFDDURDUNDWOTN-ZDUSSCGKSA-N -1 0 329.396 3.835 20 0 EHADRM Cc1cncc(C(=O)O[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)c1 ZINC000832986291 600895723 /nfs/dbraw/zinc/89/57/23/600895723.db2.gz HHMYUZZTOOFCEF-ZDUSSCGKSA-N -1 0 340.162 3.680 20 0 EHADRM Cc1ccncc1C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000832984662 600895757 /nfs/dbraw/zinc/89/57/57/600895757.db2.gz CLCYKKCFMRDNOL-ZDUSSCGKSA-N -1 0 340.162 3.680 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)C[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000236953814 600904047 /nfs/dbraw/zinc/90/40/47/600904047.db2.gz PSYADGPNWKZKDQ-PGUXBMHVSA-N -1 0 345.361 3.815 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)cc2)oc1C ZINC000679390175 600904817 /nfs/dbraw/zinc/90/48/17/600904817.db2.gz YMYULCAMGFQAGQ-LSDHHAIUSA-N -1 0 342.395 3.788 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccccc1C(F)(F)F ZINC000353960685 600908880 /nfs/dbraw/zinc/90/88/80/600908880.db2.gz QBMAQAZQQKWPSR-QJPTWQEYSA-N -1 0 343.345 3.774 20 0 EHADRM COc1cccc(CN(CC(C)C)C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000630226078 600914849 /nfs/dbraw/zinc/91/48/49/600914849.db2.gz ACBCGPKTFIAVIA-IAGOWNOFSA-N -1 0 347.455 3.571 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N[C@@H](C(=O)[O-])c2ccccn2)cc1 ZINC000827117990 600915726 /nfs/dbraw/zinc/91/57/26/600915726.db2.gz OZZQFDSOYQGQQN-AUUYWEPGSA-N -1 0 340.423 3.641 20 0 EHADRM CC(C)C[C@@H](CNC(=O)CCSc1ccc(Cl)cc1)C(=O)[O-] ZINC000316365340 600918821 /nfs/dbraw/zinc/91/88/21/600918821.db2.gz ASSPAFGUTWBPAM-LBPRGKRZSA-N -1 0 343.876 3.685 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NCc2ccc(OC3CCCC3)cc2)C1 ZINC000679393119 600919092 /nfs/dbraw/zinc/91/90/92/600919092.db2.gz GCLBFAWGOZEDCH-JKSUJKDBSA-N -1 0 345.439 3.515 20 0 EHADRM COc1c(Cl)cc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1Cl ZINC000262567840 600921210 /nfs/dbraw/zinc/92/12/10/600921210.db2.gz MEXKGSFMOPJZOG-BDAKNGLRSA-N -1 0 346.210 3.832 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2cc(F)ccc2N2CCCCC2)C1 ZINC000833185980 600924550 /nfs/dbraw/zinc/92/45/50/600924550.db2.gz JJSOTLUNNSHFJT-UONOGXRCSA-N -1 0 348.418 3.646 20 0 EHADRM CCC(CC)(NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000342545002 600926249 /nfs/dbraw/zinc/92/62/49/600926249.db2.gz KUHHTYRIVFKJIO-MNOVXSKESA-N -1 0 344.238 3.857 20 0 EHADRM CCC(CC)(NC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000342544997 600926256 /nfs/dbraw/zinc/92/62/56/600926256.db2.gz KTIPGIGXXGOXFA-DLBZAZTESA-N -1 0 325.408 3.703 20 0 EHADRM CCC(CC)(NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000316723827 600926842 /nfs/dbraw/zinc/92/68/42/600926842.db2.gz JUASLIZZJHWGEC-VIFPVBQESA-N -1 0 348.226 3.520 20 0 EHADRM CCC(CC)(NC(=O)c1sc2ccccc2c1Cl)C(=O)[O-] ZINC000094239664 600927195 /nfs/dbraw/zinc/92/71/95/600927195.db2.gz MPQAOUNDTMRNQE-UHFFFAOYSA-N -1 0 325.817 3.928 20 0 EHADRM CC[C@H](Nc1ccccc1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000736923379 600933288 /nfs/dbraw/zinc/93/32/88/600933288.db2.gz GBWVXPKBFCPPMG-KRWDZBQOSA-N -1 0 340.423 3.878 20 0 EHADRM CCCc1c(C(=O)NC[C@H](C)Cc2cccs2)[nH]c(C)c1C(=O)[O-] ZINC000737040641 600934397 /nfs/dbraw/zinc/93/43/97/600934397.db2.gz LSROQYYBRFOYSN-LLVKDONJSA-N -1 0 348.468 3.644 20 0 EHADRM O=C([O-])c1cccc(OC(=O)c2cccc(-c3cscn3)c2)c1 ZINC000833331476 600938438 /nfs/dbraw/zinc/93/84/38/600938438.db2.gz KJCJXEASTXJJHJ-UHFFFAOYSA-N -1 0 325.345 3.728 20 0 EHADRM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)c1ccc(C(=O)[O-])s1 ZINC000826688473 600939012 /nfs/dbraw/zinc/93/90/12/600939012.db2.gz ZXBPDCXEKWXSQR-CQSZACIVSA-N -1 0 349.427 3.925 20 0 EHADRM CC(C)C[C@H](OC(=O)COc1ccccc1-c1ccccc1)C(=O)[O-] ZINC000826811975 600955312 /nfs/dbraw/zinc/95/53/12/600955312.db2.gz GKQWNASSLIEVEI-SFHVURJKSA-N -1 0 342.391 3.775 20 0 EHADRM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000826694292 600955671 /nfs/dbraw/zinc/95/56/71/600955671.db2.gz SUMJGOUFVYDDLZ-QGZVFWFLSA-N -1 0 344.386 3.913 20 0 EHADRM CC(C)C[C@H](OC(=O)[C@H](C)Oc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000826812606 600956640 /nfs/dbraw/zinc/95/66/40/600956640.db2.gz KRQRGZWQIVWMHI-GWCFXTLKSA-N -1 0 348.317 3.515 20 0 EHADRM Cc1ccc(-c2nc(C)c(C(=O)O[C@@H](CC(C)C)C(=O)[O-])s2)o1 ZINC000832907046 600957435 /nfs/dbraw/zinc/95/74/35/600957435.db2.gz FQYIOOVVSAYESH-LBPRGKRZSA-N -1 0 337.397 3.676 20 0 EHADRM Cc1noc(C(F)F)c1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000833019483 600962857 /nfs/dbraw/zinc/96/28/57/600962857.db2.gz MQLVZHNSSNKFLF-UHFFFAOYSA-N -1 0 330.674 3.525 20 0 EHADRM Cc1ccc(CN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)C2CC2)cc1C ZINC000180019386 600966816 /nfs/dbraw/zinc/96/68/16/600966816.db2.gz GTZOBCZCHBRBNR-IAGOWNOFSA-N -1 0 329.440 3.685 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000776595834 600968312 /nfs/dbraw/zinc/96/83/12/600968312.db2.gz SJIPMYITQWULCS-GCJKJVERSA-N -1 0 347.414 3.568 20 0 EHADRM Cc1nc(CSCc2csc(-c3cccc(C(=O)[O-])c3)n2)no1 ZINC000833000608 600969282 /nfs/dbraw/zinc/96/92/82/600969282.db2.gz MLXAZDCLAPOHGC-UHFFFAOYSA-N -1 0 347.421 3.633 20 0 EHADRM C[C@H]1CN(Cc2ccc(F)cc2C(=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000565662929 600971590 /nfs/dbraw/zinc/97/15/90/600971590.db2.gz RNRFSTNQVYNOGC-KPZWWZAWSA-N -1 0 347.361 3.625 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000827427514 600972426 /nfs/dbraw/zinc/97/24/26/600972426.db2.gz IATTXRJXVLUWGQ-LLVKDONJSA-N -1 0 333.334 3.870 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000827427134 600972533 /nfs/dbraw/zinc/97/25/33/600972533.db2.gz BXIICSHZDUBEEM-NSHDSACASA-N -1 0 333.334 3.870 20 0 EHADRM CCOc1c(F)cccc1C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000830027168 600972906 /nfs/dbraw/zinc/97/29/06/600972906.db2.gz OZHWCRBCOVQEPN-MRXNPFEDSA-N -1 0 345.370 3.560 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1cc(OC)ccc1C(=O)[O-] ZINC000829009778 600973652 /nfs/dbraw/zinc/97/36/52/600973652.db2.gz PSWDKRRNGVIFEM-QEORTHHSSA-N -1 0 349.427 3.706 20 0 EHADRM Cc1ccccc1-c1cnc(COc2ccc(C(=O)[O-])cc2C=O)o1 ZINC000738750747 600985759 /nfs/dbraw/zinc/98/57/59/600985759.db2.gz ZRIIVDRIWHNAHS-UHFFFAOYSA-N -1 0 337.331 3.740 20 0 EHADRM O=C([O-])c1ccc2nc(SCCc3ccc4c(c3)CCO4)oc2c1 ZINC000740212691 600987317 /nfs/dbraw/zinc/98/73/17/600987317.db2.gz PQIAUKXPDNUVAP-UHFFFAOYSA-N -1 0 341.388 3.796 20 0 EHADRM Cc1ccc(Br)cc1C(=O)Nc1ccccc1C(=O)[O-] ZINC000087741784 600992825 /nfs/dbraw/zinc/99/28/25/600992825.db2.gz LLBKYVZHSNYGTK-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2CCSc3ccccc32)sc1C(=O)[O-] ZINC000738229530 600996843 /nfs/dbraw/zinc/99/68/43/600996843.db2.gz CKVQGKVPKKWPQD-LLVKDONJSA-N -1 0 333.434 3.973 20 0 EHADRM Cc1cccc(O[C@@H](C)CNC(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000832973214 600997476 /nfs/dbraw/zinc/99/74/76/600997476.db2.gz QSGDFSUIDFSDBA-AWEZNQCLSA-N -1 0 342.395 3.591 20 0 EHADRM Cc1cc(C)c(NC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)c(Cl)c1 ZINC000832874407 600998474 /nfs/dbraw/zinc/99/84/74/600998474.db2.gz KGNATYDHXYHYRW-CQSZACIVSA-N -1 0 346.814 3.947 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)[C@H](C)c1cccc(F)c1 ZINC000737871283 601001058 /nfs/dbraw/zinc/00/10/58/601001058.db2.gz JLZFQNJZTZERSB-YPUOHESYSA-N -1 0 344.338 3.641 20 0 EHADRM CC[C@H](C)C[C@H](C)NC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000828739595 601001696 /nfs/dbraw/zinc/00/16/96/601001696.db2.gz RRFSVYDLYINQHJ-KBPBESRZSA-N -1 0 347.459 3.931 20 0 EHADRM C[C@H](C(=O)N1CCCC[C@@H]1CC(=O)[O-])c1ccccc1C(F)(F)F ZINC000653320829 601004875 /nfs/dbraw/zinc/00/48/75/601004875.db2.gz XBALEFGVMUKOOY-NWDGAFQWSA-N -1 0 343.345 3.665 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@H]1CCSc3ccccc31)C2 ZINC000740189845 601010297 /nfs/dbraw/zinc/01/02/97/601010297.db2.gz ZXRVDAAEPQBWJH-INIZCTEOSA-N -1 0 339.416 3.507 20 0 EHADRM Cc1cccc(CN(Cc2ccc(C(=O)[O-])o2)Cc2ccccn2)c1 ZINC000832968100 601010707 /nfs/dbraw/zinc/01/07/07/601010707.db2.gz RAOOPBPIEIXULK-UHFFFAOYSA-N -1 0 336.391 3.884 20 0 EHADRM Cc1cccc(CN(Cc2occc2C(=O)[O-])Cc2ccccn2)c1 ZINC000832968547 601010753 /nfs/dbraw/zinc/01/07/53/601010753.db2.gz ZTZQJQVZXOGFFO-UHFFFAOYSA-N -1 0 336.391 3.884 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c(F)cc1F ZINC000833150659 601013056 /nfs/dbraw/zinc/01/30/56/601013056.db2.gz HWZXTJBWTKLNOE-QMTHXVAHSA-N -1 0 338.354 3.753 20 0 EHADRM CC[C@H](CC(=O)N(CC(=O)[O-])c1cccc(C)n1)c1ccc(C)cc1 ZINC000736893050 601013879 /nfs/dbraw/zinc/01/38/79/601013879.db2.gz TVHXFXNTEOWVRD-MRXNPFEDSA-N -1 0 340.423 3.700 20 0 EHADRM CN(C(=O)[C@H]1CCSc2ccccc21)[C@H](C(=O)[O-])c1ccccc1 ZINC000737314781 601019038 /nfs/dbraw/zinc/01/90/38/601019038.db2.gz SDOSVOZEGMXYKF-RDJZCZTQSA-N -1 0 341.432 3.550 20 0 EHADRM CN(C(=O)c1ccc(-c2ccccc2)n1C)[C@H](C(=O)[O-])c1ccccc1 ZINC000737336990 601019230 /nfs/dbraw/zinc/01/92/30/601019230.db2.gz RSIXYEJLWJETCR-IBGZPJMESA-N -1 0 348.402 3.590 20 0 EHADRM C/C(=C/C(=O)N[C@H](C(=O)[O-])C(C)(C)C)c1ccccc1C(F)(F)F ZINC000736122381 601024641 /nfs/dbraw/zinc/02/46/41/601024641.db2.gz ZRNLGJXWXIBELU-CFYYFVFUSA-N -1 0 343.345 3.724 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC000736626924 601026769 /nfs/dbraw/zinc/02/67/69/601026769.db2.gz PQQUCJAGRMSQNL-ZDUSSCGKSA-N -1 0 347.361 3.651 20 0 EHADRM O=C([O-])CCN(C(=O)c1cc2cc(F)ccc2o1)c1cccc(F)c1 ZINC000739711493 601027799 /nfs/dbraw/zinc/02/77/99/601027799.db2.gz MEFYZXZTNNPKGS-UHFFFAOYSA-N -1 0 345.301 3.833 20 0 EHADRM CCCOc1cccc(C(=O)N(CCC(=O)[O-])c2cccc(F)c2)c1 ZINC000737035142 601028534 /nfs/dbraw/zinc/02/85/34/601028534.db2.gz XINXFBKQJGYWOU-UHFFFAOYSA-N -1 0 345.370 3.736 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N[C@@H](CC2CC2)c2ccccc2)cc1 ZINC000739251646 601033049 /nfs/dbraw/zinc/03/30/49/601033049.db2.gz JIXCSIBGXVYCSR-IBGZPJMESA-N -1 0 337.419 3.975 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1)C(=O)[O-] ZINC000736712238 601034054 /nfs/dbraw/zinc/03/40/54/601034054.db2.gz LTWFNQHFCYHRLH-GBJTYRQASA-N -1 0 347.480 3.950 20 0 EHADRM Cc1c2ccccc2oc1C(=O)N(c1ncc(C(=O)[O-])s1)C1CC1 ZINC000738259046 601036084 /nfs/dbraw/zinc/03/60/84/601036084.db2.gz ZBPOGFCGRYRFJU-UHFFFAOYSA-N -1 0 342.376 3.705 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1F)Cc1cccs1 ZINC000827486701 601042989 /nfs/dbraw/zinc/04/29/89/601042989.db2.gz RTUGMKVWHCRARG-JTQLQIEISA-N -1 0 336.388 3.586 20 0 EHADRM Cc1noc(C)c1N(C)Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833020880 601047195 /nfs/dbraw/zinc/04/71/95/601047195.db2.gz DEVXILLDPVIDGW-UHFFFAOYSA-N -1 0 343.408 3.750 20 0 EHADRM CSCc1cccc(NC(=O)NC[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000832770981 601048216 /nfs/dbraw/zinc/04/82/16/601048216.db2.gz ROAYTLCVXJOMIM-INIZCTEOSA-N -1 0 344.436 3.540 20 0 EHADRM C[C@@H](C(=O)N1CCCC[C@H]1C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000262646855 601056211 /nfs/dbraw/zinc/05/62/11/601056211.db2.gz IQGUFLKXNLYPPJ-RNCFNFMXSA-N -1 0 330.211 3.563 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1C ZINC000479560804 601058290 /nfs/dbraw/zinc/05/82/90/601058290.db2.gz ZTQBEPZTPGNEBR-UHFFFAOYSA-N -1 0 345.370 3.938 20 0 EHADRM C[C@@H](C(=O)NC(C)(C)CCC(=O)[O-])c1ccccc1C(F)(F)F ZINC000676213877 601061491 /nfs/dbraw/zinc/06/14/91/601061491.db2.gz RSRORKSBLPONCV-SNVBAGLBSA-N -1 0 331.334 3.569 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccc(O)cc1)c1ccc(Cl)cc1Cl ZINC000833350019 601062248 /nfs/dbraw/zinc/06/22/48/601062248.db2.gz HTDQTGRDKZJPAF-ZDUSSCGKSA-N -1 0 341.146 3.682 20 0 EHADRM Cc1ccc(NC(=O)/C=C/c2ccnc3ccccc23)cc1C(=O)[O-] ZINC000191032835 601062643 /nfs/dbraw/zinc/06/26/43/601062643.db2.gz SUNLXITVOSTOAC-VQHVLOKHSA-N -1 0 332.359 3.893 20 0 EHADRM Cc1ccc(NC(=O)CSc2nc3ccccc3o2)cc1C(=O)[O-] ZINC000324802491 601064183 /nfs/dbraw/zinc/06/41/83/601064183.db2.gz NHWDZPJRGIMEFX-UHFFFAOYSA-N -1 0 342.376 3.565 20 0 EHADRM CCc1ccc(CCC(=O)O[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000830245012 601066611 /nfs/dbraw/zinc/06/66/11/601066611.db2.gz OBIRVCPOTASCGI-SFHVURJKSA-N -1 0 330.355 3.690 20 0 EHADRM C[C@H](CCOc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000479613431 601066697 /nfs/dbraw/zinc/06/66/97/601066697.db2.gz QDADSLMROSEZLW-GFCCVEGCSA-N -1 0 331.343 3.568 20 0 EHADRM Cc1ccc(-c2cnc(COC(=O)c3ccc(C(=O)[O-])s3)o2)cc1 ZINC000832907188 601071802 /nfs/dbraw/zinc/07/18/02/601071802.db2.gz OOVYGCLFXOIVEA-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM CCCN(CC)C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000829481839 601075213 /nfs/dbraw/zinc/07/52/13/601075213.db2.gz BHFOFNXFUNGETK-UHFFFAOYSA-N -1 0 347.184 3.550 20 0 EHADRM O=C([O-])[C@H](OC(=O)Cc1c(F)cccc1Cl)c1ccccc1F ZINC000833116573 601078699 /nfs/dbraw/zinc/07/86/99/601078699.db2.gz GBSLXXSZRLFGNT-OAHLLOKOSA-N -1 0 340.709 3.530 20 0 EHADRM Cc1ccccc1CCC(=O)N1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000832980930 601080675 /nfs/dbraw/zinc/08/06/75/601080675.db2.gz PZTPVIAAABJCMD-RBUKOAKNSA-N -1 0 343.467 3.810 20 0 EHADRM C[C@H](C(=O)N1CCC(CC(=O)[O-])CC1)c1ccc(Cl)c(Cl)c1 ZINC000262426538 601081093 /nfs/dbraw/zinc/08/10/93/601081093.db2.gz LTRPXOYZMCYEEN-JTQLQIEISA-N -1 0 344.238 3.810 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)NC[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000262130268 601083962 /nfs/dbraw/zinc/08/39/62/601083962.db2.gz JQPZGVDSVYHHRE-BEFAXECRSA-N -1 0 339.435 3.727 20 0 EHADRM C[C@H](C(=O)N1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-])c1ccccc1F ZINC000825977210 601084123 /nfs/dbraw/zinc/08/41/23/601084123.db2.gz ARZAXNGHFDDMTR-JCKWVBRZSA-N -1 0 347.430 3.811 20 0 EHADRM C[C@H](CCc1ccco1)NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000327252160 601086723 /nfs/dbraw/zinc/08/67/23/601086723.db2.gz WKGQLUCUOOWRHY-CYBMUJFWSA-N -1 0 344.411 3.785 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1ccncc1 ZINC000828952141 601087807 /nfs/dbraw/zinc/08/78/07/601087807.db2.gz VVPXTFRNEUATHV-INIZCTEOSA-N -1 0 341.411 3.717 20 0 EHADRM C[C@H]1CCC[C@H](CNC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C1 ZINC000392520992 601091655 /nfs/dbraw/zinc/09/16/55/601091655.db2.gz ZVTBIKCQXIZPLY-KBPBESRZSA-N -1 0 332.444 3.997 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1cccs1 ZINC000321244587 601092630 /nfs/dbraw/zinc/09/26/30/601092630.db2.gz JIJIQDUKKLMUSY-NSHDSACASA-N -1 0 332.425 3.993 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)c1cccc2cc[nH]c21 ZINC000833180032 601095514 /nfs/dbraw/zinc/09/55/14/601095514.db2.gz SIOICJROMSMQNJ-RDJZCZTQSA-N -1 0 340.423 3.664 20 0 EHADRM CCN(CCC(F)(F)F)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000829705119 601095930 /nfs/dbraw/zinc/09/59/30/601095930.db2.gz QBTSRJVOXBAFRV-UHFFFAOYSA-N -1 0 346.349 3.855 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000830815222 601098120 /nfs/dbraw/zinc/09/81/20/601098120.db2.gz XIDRGFLDOYHQHT-UHFFFAOYSA-N -1 0 337.379 3.540 20 0 EHADRM CC(C)SCC(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000827072508 601099899 /nfs/dbraw/zinc/09/98/99/601099899.db2.gz CKJAAEVEXRGLAY-GFCCVEGCSA-N -1 0 337.224 3.804 20 0 EHADRM Cc1cc(NC(=O)NC2CCC(C(=O)[O-])CC2)ccc1C(F)(F)F ZINC000263010890 601100006 /nfs/dbraw/zinc/10/00/06/601100006.db2.gz HMHIYCVSGGJJAC-UHFFFAOYSA-N -1 0 344.333 3.779 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000827908149 601111920 /nfs/dbraw/zinc/11/19/20/601111920.db2.gz FPNRBLBFUYJNRY-LRDDRELGSA-N -1 0 348.395 3.817 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)OCCSc1ccc(Cl)cc1 ZINC000826806419 601120631 /nfs/dbraw/zinc/12/06/31/601120631.db2.gz FUCVPXLUWQAGMO-CYBMUJFWSA-N -1 0 345.848 3.658 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1 ZINC000739573951 601126112 /nfs/dbraw/zinc/12/61/12/601126112.db2.gz QOLKAUJCNPSYAI-CHWSQXEVSA-N -1 0 345.395 3.558 20 0 EHADRM CC(C)c1ccc([C@H](C)NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000324860428 601138390 /nfs/dbraw/zinc/13/83/90/601138390.db2.gz NVKVMVIUAJUMAB-ZDUSSCGKSA-N -1 0 347.436 3.548 20 0 EHADRM Cc1ccc(NC(=O)Nc2cccc(OC(F)F)c2)cc1C(=O)[O-] ZINC000832948349 601143694 /nfs/dbraw/zinc/14/36/94/601143694.db2.gz HMEANEUERFLCFA-UHFFFAOYSA-N -1 0 336.294 3.939 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](c2ncccc2C)C(C)C)cc1C(=O)[O-] ZINC000832945916 601144259 /nfs/dbraw/zinc/14/42/59/601144259.db2.gz AWOBAFNIVPXEOL-MRXNPFEDSA-N -1 0 341.411 3.915 20 0 EHADRM CC(C)COc1cccc(C(=O)N(CC(=O)[O-])c2cccc(F)c2)c1 ZINC000826905090 601144446 /nfs/dbraw/zinc/14/44/46/601144446.db2.gz AKVFIHPPZYSIGG-UHFFFAOYSA-N -1 0 345.370 3.592 20 0 EHADRM O=C([O-])CCN(Cc1cnc(Cl)s1)Cc1ccc(F)c(F)c1 ZINC000833233382 601145182 /nfs/dbraw/zinc/14/51/82/601145182.db2.gz VLYQRTBLRGYFTO-UHFFFAOYSA-N -1 0 346.786 3.552 20 0 EHADRM O=C([O-])c1cccc(OC(=O)c2cccc(C(F)(F)F)c2F)c1 ZINC000833331918 601147001 /nfs/dbraw/zinc/14/70/01/601147001.db2.gz UFRCMRLHEQAGFP-UHFFFAOYSA-N -1 0 328.217 3.762 20 0 EHADRM CCCCCn1nc(C)cc1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000829373250 601148495 /nfs/dbraw/zinc/14/84/95/601148495.db2.gz NRKFYUGAUWBJOL-UHFFFAOYSA-N -1 0 330.388 3.724 20 0 EHADRM CC[C@@H](C)[C@@H](C)N(C(=O)NCCc1ccc(NC(=O)[O-])cc1)C1CC1 ZINC000828710519 601150777 /nfs/dbraw/zinc/15/07/77/601150777.db2.gz ZOABTYQOKSWPHU-ZIAGYGMSSA-N -1 0 347.459 3.928 20 0 EHADRM CC[C@@H](Oc1ccccc1Cl)C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC000829020632 601150948 /nfs/dbraw/zinc/15/09/48/601150948.db2.gz IVWOYUBMCCVMMB-OAHLLOKOSA-N -1 0 348.782 3.730 20 0 EHADRM Cc1ccc(CCCC(=O)Nc2ccc(OCCC(=O)[O-])cc2)s1 ZINC000237700229 601151937 /nfs/dbraw/zinc/15/19/37/601151937.db2.gz ZFKMJPRMONWZLR-UHFFFAOYSA-N -1 0 347.436 3.871 20 0 EHADRM CCOc1cc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])ccc1C ZINC000236894417 601162334 /nfs/dbraw/zinc/16/23/34/601162334.db2.gz UCKYLDXYDVWSTG-KSSFIOAISA-N -1 0 341.407 3.586 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cnc(C(C)(C)C)s1)c1ccccc1 ZINC000237756942 601165614 /nfs/dbraw/zinc/16/56/14/601165614.db2.gz RPRRFXLGCPDLNP-RISCZKNCSA-N -1 0 346.452 3.632 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cccc(C(F)F)c1)c1ccccc1 ZINC000826044021 601166036 /nfs/dbraw/zinc/16/60/36/601166036.db2.gz AZLBLEJKSCHVTB-XHDPSFHLSA-N -1 0 333.334 3.816 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)C[C@H]1CCc2ccccc21)c1ccccc1 ZINC000675997865 601169417 /nfs/dbraw/zinc/16/94/17/601169417.db2.gz CEEAUXRSLZTQIA-JNAXZKDPSA-N -1 0 337.419 3.685 20 0 EHADRM Cc1oc(-c2cccs2)nc1COC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833024395 601190581 /nfs/dbraw/zinc/19/05/81/601190581.db2.gz CXTPNBSHJYIWOK-NEPJUHHUSA-N -1 0 349.408 3.646 20 0 EHADRM CCCCO[C@H]1C[C@@H](NC(=O)Nc2cccc(NC(=O)[O-])c2)C1(C)C ZINC000829413879 601191739 /nfs/dbraw/zinc/19/17/39/601191739.db2.gz ZFHWIZAJNFYDSS-CABCVRRESA-N -1 0 349.431 3.882 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C/C=C/c1ccc(F)cc1 ZINC000237749892 601197978 /nfs/dbraw/zinc/19/79/78/601197978.db2.gz WMEGEXVZIVATGL-NSCUHMNNSA-N -1 0 343.354 3.640 20 0 EHADRM Cc1cnc(C(C)(C)NC(=O)Nc2ccc(C)c(C(=O)[O-])c2)s1 ZINC000832985727 601199048 /nfs/dbraw/zinc/19/90/48/601199048.db2.gz ZWQWCUWKXALTPV-UHFFFAOYSA-N -1 0 333.413 3.515 20 0 EHADRM COc1ccc(-c2ccc(CNc3ccc(C(=O)[O-])nn3)s2)cc1 ZINC000832116097 601202651 /nfs/dbraw/zinc/20/26/51/601202651.db2.gz IGBDUISCHCVULT-UHFFFAOYSA-N -1 0 341.392 3.524 20 0 EHADRM Cc1nc(N2Cc3ccc(C(=O)[O-])cc3C2)nc(C)c1CC(C)C ZINC000833004240 601213957 /nfs/dbraw/zinc/21/39/57/601213957.db2.gz SJESIKBNDRUIRR-UHFFFAOYSA-N -1 0 325.412 3.510 20 0 EHADRM CC(C)c1ccccc1NC(=O)COc1ccccc1NC(=O)[O-] ZINC000827134105 601228974 /nfs/dbraw/zinc/22/89/74/601228974.db2.gz DJUAGQQCJMOLJA-UHFFFAOYSA-N -1 0 328.368 3.917 20 0 EHADRM CCCCCN(Cc1ccc(F)cc1)C(=O)c1ccnc(C(=O)[O-])c1 ZINC000236742825 601243097 /nfs/dbraw/zinc/24/30/97/601243097.db2.gz RUEMKJZQJYFKDK-UHFFFAOYSA-N -1 0 344.386 3.752 20 0 EHADRM O=C([O-])c1cc(C(=O)N2Cc3ccccc3-c3ccccc3C2)ccn1 ZINC000237984056 601245700 /nfs/dbraw/zinc/24/57/00/601245700.db2.gz VOPDKXPTMAVJJS-UHFFFAOYSA-N -1 0 344.370 3.603 20 0 EHADRM COc1cccc(/C(C)=C/C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC000776630760 601253226 /nfs/dbraw/zinc/25/32/26/601253226.db2.gz XFKIMHLISNWJGM-DHZHZOJOSA-N -1 0 329.327 3.575 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)CCCN(C)C(=O)[O-] ZINC000827934031 601271144 /nfs/dbraw/zinc/27/11/44/601271144.db2.gz AUCACSHATQZKLR-STQMWFEESA-N -1 0 340.851 3.680 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C/C=C/c1ccc(F)cc1)c1ccccc1 ZINC000238091294 601273434 /nfs/dbraw/zinc/27/34/34/601273434.db2.gz RDIKIHFZVNBJGK-LAQIPUCWSA-N -1 0 327.355 3.561 20 0 EHADRM COc1cc(Cl)c(Cl)cc1C(=O)NCCCCCCC(=O)[O-] ZINC000262714151 601276317 /nfs/dbraw/zinc/27/63/17/601276317.db2.gz QYVWSVQQTIJQHW-UHFFFAOYSA-N -1 0 348.226 3.767 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)C/C=C\c2cccc(F)c2)cc1 ZINC000830507284 601280844 /nfs/dbraw/zinc/28/08/44/601280844.db2.gz HJWCRJVIZYYDHX-HYXAFXHYSA-N -1 0 328.343 3.982 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000479528616 601283597 /nfs/dbraw/zinc/28/35/97/601283597.db2.gz NXMZAJOBKVTXAJ-HNNXBMFYSA-N -1 0 331.343 3.628 20 0 EHADRM CC(C)Sc1ccc([C@@H](C)NC(=O)c2ccnc(C(=O)[O-])c2)cc1 ZINC000236633108 601284012 /nfs/dbraw/zinc/28/40/12/601284012.db2.gz GLJDISPCUWURFK-GFCCVEGCSA-N -1 0 344.436 3.771 20 0 EHADRM Cc1c2ccccc2oc1C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000237685531 601295737 /nfs/dbraw/zinc/29/57/37/601295737.db2.gz GIDVBYBZBNJZDD-CXAGYDPISA-N -1 0 337.375 3.933 20 0 EHADRM Cc1ccccc1SCC(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000237661904 601296060 /nfs/dbraw/zinc/29/60/60/601296060.db2.gz IIXIFTSIAUNCAC-RDTXWAMCSA-N -1 0 343.448 3.665 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)CCc1ccccc1Cl)c1ccccc1 ZINC000237658099 601296598 /nfs/dbraw/zinc/29/65/98/601296598.db2.gz MWJJRMNRKQFNJL-FZKQIMNGSA-N -1 0 345.826 3.851 20 0 EHADRM O=C([O-])[C@H]1CCCN(Cn2c(-c3ccccc3)csc2=S)C1 ZINC000833188863 601300864 /nfs/dbraw/zinc/30/08/64/601300864.db2.gz GBHXZBOXXUHTQP-ZDUSSCGKSA-N -1 0 334.466 3.700 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000828790187 601305959 /nfs/dbraw/zinc/30/59/59/601305959.db2.gz QDAPDFMHZZKERP-UHFFFAOYSA-N -1 0 335.297 3.608 20 0 EHADRM CCOc1ccc(NC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000830085419 601307940 /nfs/dbraw/zinc/30/79/40/601307940.db2.gz WIMRUBOZDTYRAS-MRXNPFEDSA-N -1 0 346.358 3.562 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1sc(C(C)(C)C)nc1C ZINC000262040057 601309025 /nfs/dbraw/zinc/30/90/25/601309025.db2.gz CNTCBEIKCGOBFY-UHFFFAOYSA-N -1 0 326.462 3.512 20 0 EHADRM Cn1cc(NC(=O)c2ccc(SC(F)(F)F)cc2)cc1C(=O)[O-] ZINC000833052489 601312813 /nfs/dbraw/zinc/31/28/13/601312813.db2.gz XLCOFOYHITXOME-UHFFFAOYSA-N -1 0 344.314 3.588 20 0 EHADRM CC(C)c1cc(C(=O)Nc2cc(C(=O)[O-])n(C)c2)c2ccccc2n1 ZINC000827107251 601322488 /nfs/dbraw/zinc/32/24/88/601322488.db2.gz VWILDGJJWVJDOJ-UHFFFAOYSA-N -1 0 337.379 3.647 20 0 EHADRM CC(C)[C@H](SCc1ccccc1)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000826722376 601323431 /nfs/dbraw/zinc/32/34/31/601323431.db2.gz HILBJCFLMPVJNA-INIZCTEOSA-N -1 0 346.452 3.620 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000828200346 601335450 /nfs/dbraw/zinc/33/54/50/601335450.db2.gz FJDPMJTUEOUUIS-WWGRRREGSA-N -1 0 331.416 3.986 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000828200342 601335594 /nfs/dbraw/zinc/33/55/94/601335594.db2.gz FJDPMJTUEOUUIS-DVOMOZLQSA-N -1 0 331.416 3.986 20 0 EHADRM O=C([O-])c1cccc(OCc2noc(-c3cc4occc4s3)n2)c1 ZINC000833332312 601366752 /nfs/dbraw/zinc/36/67/52/601366752.db2.gz LHKXYBKKXBGHQX-UHFFFAOYSA-N -1 0 342.332 3.822 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000237174575 601391604 /nfs/dbraw/zinc/39/16/04/601391604.db2.gz QRSOSWINWOIMBV-KSSFIOAISA-N -1 0 341.407 3.521 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)CC2CCCCCC2)cc1 ZINC000678974178 601391675 /nfs/dbraw/zinc/39/16/75/601391675.db2.gz VJPSOMYVOKNAEL-KRWDZBQOSA-N -1 0 333.428 3.688 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000263131237 601392547 /nfs/dbraw/zinc/39/25/47/601392547.db2.gz GZMLDWDRHPHGGI-LSZYVWPRSA-N -1 0 341.382 3.507 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC000678975469 601393075 /nfs/dbraw/zinc/39/30/75/601393075.db2.gz GIIBQNXLWUHTCO-LBPRGKRZSA-N -1 0 327.380 3.834 20 0 EHADRM O=C([O-])c1nn(CN2CC[C@H]2c2ccc(Cl)cc2)c2ccccc21 ZINC000833347071 601402210 /nfs/dbraw/zinc/40/22/10/601402210.db2.gz TZMSOYKZEOFHJB-HNNXBMFYSA-N -1 0 341.798 3.792 20 0 EHADRM CC(C)(c1nc(-c2ccc(C(=O)[O-])cc2)no1)c1ccccc1F ZINC000826642017 601402259 /nfs/dbraw/zinc/40/22/59/601402259.db2.gz LNFATTGKRZKFFZ-UHFFFAOYSA-N -1 0 326.327 3.900 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000828758297 601402819 /nfs/dbraw/zinc/40/28/19/601402819.db2.gz JTMADQYSAJKCRF-ZDUSSCGKSA-N -1 0 339.391 3.718 20 0 EHADRM CCS[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000830158359 601403926 /nfs/dbraw/zinc/40/39/26/601403926.db2.gz VLHLMKLIEZRKBL-DZGCQCFKSA-N -1 0 336.457 3.879 20 0 EHADRM C/C(=C/COC(=O)c1ccccc1SCc1cscn1)C(=O)[O-] ZINC000825780880 601414427 /nfs/dbraw/zinc/41/44/27/601414427.db2.gz KFOIYAWHVDHCKP-WDZFZDKYSA-N -1 0 349.433 3.623 20 0 EHADRM C/C(=C/COC(=O)c1c[nH]cc1-c1ccc(Cl)s1)C(=O)[O-] ZINC000825769097 601419714 /nfs/dbraw/zinc/41/97/14/601419714.db2.gz HRBWZEZTMIRDKT-YWEYNIOJSA-N -1 0 325.773 3.584 20 0 EHADRM O=C([O-])C1(CNC(=O)N(Cc2ccccc2)CC2CCC2)CCCC1 ZINC000833134419 601424285 /nfs/dbraw/zinc/42/42/85/601424285.db2.gz UUASQLDTVLJNFF-UHFFFAOYSA-N -1 0 344.455 3.643 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)ccc1F ZINC000832872158 601426069 /nfs/dbraw/zinc/42/60/69/601426069.db2.gz ZAZPVTLEWDGNBS-CYBMUJFWSA-N -1 0 344.386 3.735 20 0 EHADRM C/C(=C\COC(=O)c1cc(C2CC2)nc2ccc(C)cc21)C(=O)[O-] ZINC000825770151 601429449 /nfs/dbraw/zinc/42/94/49/601429449.db2.gz VKMBSENADAKYFM-KPKJPENVSA-N -1 0 325.364 3.608 20 0 EHADRM O=C([O-])c1cccc(COC(=O)Cc2coc3cc(F)ccc23)c1 ZINC000833119788 601431243 /nfs/dbraw/zinc/43/12/43/601431243.db2.gz JLSNNMHPTMFHKH-UHFFFAOYSA-N -1 0 328.295 3.556 20 0 EHADRM C/C(=C/C(=O)NC1(CC(=O)[O-])CCC1)c1ccccc1C(F)(F)F ZINC000776628928 601434857 /nfs/dbraw/zinc/43/48/57/601434857.db2.gz RFBDWJDAUQQVLY-LUAWRHEFSA-N -1 0 341.329 3.622 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2ccc(OCC(F)F)cc2)c1 ZINC000833292020 601444502 /nfs/dbraw/zinc/44/45/02/601444502.db2.gz ZIXQXVYWQYPJQA-UHFFFAOYSA-N -1 0 336.294 3.673 20 0 EHADRM C[C@H](C(=O)N1CCc2cc(C(=O)[O-])ccc21)c1ccc(Cl)s1 ZINC000761421690 601445553 /nfs/dbraw/zinc/44/55/53/601445553.db2.gz RCXJALXTNPJJEV-VIFPVBQESA-N -1 0 335.812 3.793 20 0 EHADRM CCCCOC(=O)c1ccc(NCc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000829401089 601447479 /nfs/dbraw/zinc/44/74/79/601447479.db2.gz CMRBHKICTOEUHB-UHFFFAOYSA-N -1 0 331.368 3.855 20 0 EHADRM C/C(=C\C(=O)N(CC(=O)[O-])c1cccc(C)n1)c1cccc(Cl)c1 ZINC000825716728 601448428 /nfs/dbraw/zinc/44/84/28/601448428.db2.gz NOMBIKNSPNDSNB-FMIVXFBMSA-N -1 0 344.798 3.565 20 0 EHADRM O=C([O-])c1cnc(N(C(=O)C/C=C\c2cccc(F)c2)C2CC2)s1 ZINC000833338787 601449200 /nfs/dbraw/zinc/44/92/00/601449200.db2.gz ZPTLTXAYAIHWNO-RQOWECAXSA-N -1 0 346.383 3.579 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(C)n(C2CCCCC2)c1C ZINC000237041674 601459052 /nfs/dbraw/zinc/45/90/52/601459052.db2.gz ZMFUVHXBOCZIDX-IBGZPJMESA-N -1 0 334.460 3.983 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000237113790 601464960 /nfs/dbraw/zinc/46/49/60/601464960.db2.gz GBMNSTBVQJBJRX-BJOHPYRUSA-N -1 0 348.226 3.520 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H](C)Oc1cccc(Cl)c1Cl ZINC000237114205 601468181 /nfs/dbraw/zinc/46/81/81/601468181.db2.gz SBKJJJVZNIKITN-BJOHPYRUSA-N -1 0 348.226 3.520 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)/C=C\c1ccc2cc(OC)ccc2c1 ZINC000776629747 601471515 /nfs/dbraw/zinc/47/15/15/601471515.db2.gz UBKLOBILHOLXID-ATYVUACHSA-N -1 0 341.407 3.621 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1csc2ccccc12 ZINC000324368077 601473720 /nfs/dbraw/zinc/47/37/20/601473720.db2.gz IXNUGNBBJCBPRK-KRWDZBQOSA-N -1 0 337.400 3.726 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC000832527822 601483692 /nfs/dbraw/zinc/48/36/92/601483692.db2.gz BGIDJCVLKYTWBX-NWDGAFQWSA-N -1 0 332.352 3.784 20 0 EHADRM CCCCC[C@H](NC(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1)c1ccccc1 ZINC000829327145 601497420 /nfs/dbraw/zinc/49/74/20/601497420.db2.gz VWYWHZGMRXUYOQ-PVAVHDDUSA-N -1 0 332.444 3.670 20 0 EHADRM Cc1ccc(/C=C\CC(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1 ZINC000520269400 601499966 /nfs/dbraw/zinc/49/99/66/601499966.db2.gz RAWKPLZHYZUPFI-ROISDPOOSA-N -1 0 327.424 3.643 20 0 EHADRM O=C([O-])c1cccc(COC(=O)c2ccc3ccc(Cl)cc3n2)c1 ZINC000833329658 601500659 /nfs/dbraw/zinc/50/06/59/601500659.db2.gz QKROWHNLRGKYKO-UHFFFAOYSA-N -1 0 341.750 3.943 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)C/C=C\c1ccc(C)cc1 ZINC000832523770 601505792 /nfs/dbraw/zinc/50/57/92/601505792.db2.gz MBRGPWDZOJIZDS-HYXAFXHYSA-N -1 0 326.348 3.711 20 0 EHADRM O=C([O-])CCN(Cc1ccncc1)C(=O)CCCC1CCCCC1 ZINC000833234989 601513124 /nfs/dbraw/zinc/51/31/24/601513124.db2.gz ZPMXBZWJTAWXTR-UHFFFAOYSA-N -1 0 332.444 3.636 20 0 EHADRM O=C([O-])c1cccc(NC(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000833137534 601529246 /nfs/dbraw/zinc/52/92/46/601529246.db2.gz BNLGHNCOBDSMTF-CMPLNLGQSA-N -1 0 344.333 3.875 20 0 EHADRM Cc1nc(NC(=O)c2ccc3ccc(Cl)cc3n2)sc1C(=O)[O-] ZINC000833001868 601529328 /nfs/dbraw/zinc/52/93/28/601529328.db2.gz AEZSKLGGECWTMH-UHFFFAOYSA-N -1 0 347.783 3.604 20 0 EHADRM Cc1cc(C(=O)N2C[C@@H](C)c3ccccc32)cc(C)c1OCC(=O)[O-] ZINC000237469773 601533690 /nfs/dbraw/zinc/53/36/90/601533690.db2.gz VQJGCUZVMBKURW-CQSZACIVSA-N -1 0 339.391 3.531 20 0 EHADRM CN(CCCC(=O)N1CCCCC[C@@H]1/C=C\c1ccccc1)C(=O)[O-] ZINC000830759305 601544776 /nfs/dbraw/zinc/54/47/76/601544776.db2.gz PSMLUHXSULLZAI-SWNWVQGVSA-N -1 0 344.455 3.861 20 0 EHADRM CCn1c2ccccc2nc1[C@H]1CCCN1Cc1ccc(C(=O)[O-])o1 ZINC000652405595 601567954 /nfs/dbraw/zinc/56/79/54/601567954.db2.gz XUHQEFSDFHWOCJ-MRXNPFEDSA-N -1 0 339.395 3.685 20 0 EHADRM CN(Cc1ccc(NC(=O)/C=C/SCc2ccco2)cc1)C(=O)[O-] ZINC000830831462 601572449 /nfs/dbraw/zinc/57/24/49/601572449.db2.gz YSJZYMXVHSMOKZ-CSKARUKUSA-N -1 0 346.408 3.775 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000318931276 601597801 /nfs/dbraw/zinc/59/78/01/601597801.db2.gz OYWRRHBVDYLREV-LLVKDONJSA-N -1 0 341.860 3.582 20 0 EHADRM O=C([O-])C1(CNC(=O)c2ccc(SC(F)(F)F)cc2)CCCC1 ZINC000321797151 601603805 /nfs/dbraw/zinc/60/38/05/601603805.db2.gz WTBOCKKQGLIJAC-UHFFFAOYSA-N -1 0 347.358 3.673 20 0 EHADRM C[C@H](CSc1ccc(F)cc1)C(=O)OCc1cc(C(=O)[O-])co1 ZINC000827580331 601609844 /nfs/dbraw/zinc/60/98/44/601609844.db2.gz ABVIBBGKWQJBBC-SNVBAGLBSA-N -1 0 338.356 3.589 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)Nc1cccc(F)c1F)c1ccccc1 ZINC000826039320 601621804 /nfs/dbraw/zinc/62/18/04/601621804.db2.gz QTBNGBVLHDPIIW-ZUZCIYMTSA-N -1 0 334.322 3.548 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)Nc1ccc2[nH]ccc2c1)c1ccccc1 ZINC000826038755 601622362 /nfs/dbraw/zinc/62/23/62/601622362.db2.gz HAFQBVRZBIBJIJ-SJCJKPOMSA-N -1 0 337.379 3.751 20 0 EHADRM C[C@@H](c1ccco1)N(C(=O)Nc1ccc(C(=O)[O-])cc1F)C1CC1 ZINC000827956578 601623892 /nfs/dbraw/zinc/62/38/92/601623892.db2.gz IETKQSLKWPHKBJ-JTQLQIEISA-N -1 0 332.331 3.874 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N(CC2CCC2)CC(F)(F)F)c1 ZINC000833290435 601625243 /nfs/dbraw/zinc/62/52/43/601625243.db2.gz PMFWOSHIKNVQJY-UHFFFAOYSA-N -1 0 330.306 3.581 20 0 EHADRM NC(=NOCc1ccc(C(=O)[O-])c(F)c1)c1cccc2ccccc21 ZINC000833079485 601634331 /nfs/dbraw/zinc/63/43/31/601634331.db2.gz ZBTJVBAGLCPRNM-UHFFFAOYSA-N -1 0 338.338 3.724 20 0 EHADRM Cc1sc(NC(=O)CNc2c(C)cccc2C)c(C(=O)[O-])c1C ZINC000832964448 601634819 /nfs/dbraw/zinc/63/48/19/601634819.db2.gz DZRXKLGWXFORRB-UHFFFAOYSA-N -1 0 332.425 3.731 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CCc1cn(C)c2ccccc12 ZINC000128684124 601636165 /nfs/dbraw/zinc/63/61/65/601636165.db2.gz ALGJTAPCMDMOQB-UHFFFAOYSA-N -1 0 336.391 3.756 20 0 EHADRM C[C@H](CSc1ccc(F)cc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000237440764 601636358 /nfs/dbraw/zinc/63/63/58/601636358.db2.gz KAOCOBNEGPXDPA-GFCCVEGCSA-N -1 0 347.411 3.569 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc(Oc2cccc(Cl)c2)cc1)C1CC1 ZINC000833245679 601637403 /nfs/dbraw/zinc/63/74/03/601637403.db2.gz FVEUWSCDJUKHGV-UHFFFAOYSA-N -1 0 345.782 3.822 20 0 EHADRM Cc1nc(C(=O)[O-])cn1CC/C=C\c1ccc(Br)cc1 ZINC000832996518 601639927 /nfs/dbraw/zinc/63/99/27/601639927.db2.gz TZCWUVUXIMGGSG-RQOWECAXSA-N -1 0 335.201 3.756 20 0 EHADRM CCCCC[C@H](NC(=O)Cc1c[nH]c2ccc(Cl)cc12)C(=O)[O-] ZINC000829321588 601640423 /nfs/dbraw/zinc/64/04/23/601640423.db2.gz SNPZYDFUVJVVLE-HNNXBMFYSA-N -1 0 336.819 3.514 20 0 EHADRM CCCCC[C@@H](NC(=O)c1cccc(-c2nc(C)cs2)c1)C(=O)[O-] ZINC000236846428 601644532 /nfs/dbraw/zinc/64/45/32/601644532.db2.gz ACIRNZXRTITJNT-OAHLLOKOSA-N -1 0 346.452 3.882 20 0 EHADRM Cc1nc(CC(C)C)c(C(=O)Nc2cccc(C(=O)[O-])c2C)s1 ZINC000832998653 601662203 /nfs/dbraw/zinc/66/22/03/601662203.db2.gz LYYRYOMWBUTFLH-UHFFFAOYSA-N -1 0 332.425 3.909 20 0 EHADRM CC[C@H](C)c1ccc(C(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1 ZINC000828764664 601664752 /nfs/dbraw/zinc/66/47/52/601664752.db2.gz KZCREVPRZQRYDD-ZDUSSCGKSA-N -1 0 327.380 3.916 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)c1 ZINC000833290813 601665429 /nfs/dbraw/zinc/66/54/29/601665429.db2.gz SMUXTUCXPUAKLT-LBPRGKRZSA-N -1 0 330.306 3.627 20 0 EHADRM C[C@@H](CSc1ccc(F)cc1)C(=O)OCc1ccc(C(=O)[O-])o1 ZINC000827582128 601669436 /nfs/dbraw/zinc/66/94/36/601669436.db2.gz ZBZYIYRFVDUJDO-JTQLQIEISA-N -1 0 338.356 3.589 20 0 EHADRM O=C(C[C@H]1CCCCO1)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC000833093284 601669521 /nfs/dbraw/zinc/66/95/21/601669521.db2.gz ADFRJCOCEBNCSP-LLVKDONJSA-N -1 0 337.441 3.613 20 0 EHADRM CC(C)C[C@H](C)OCCC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000826764183 601673990 /nfs/dbraw/zinc/67/39/90/601673990.db2.gz QSZZCVIAHUYDDQ-NSHDSACASA-N -1 0 326.368 3.695 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000833289059 601674141 /nfs/dbraw/zinc/67/41/41/601674141.db2.gz DQLNHKRZECQOHB-ZYHUDNBSSA-N -1 0 344.333 3.875 20 0 EHADRM CC(C)C[C@@H](C)OCCC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000826763773 601678278 /nfs/dbraw/zinc/67/82/78/601678278.db2.gz HYKRMQAFRGAOGV-CQSZACIVSA-N -1 0 336.432 3.576 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(c1nc(-c3ccc(F)cc3)cs1)CC2 ZINC000517377883 601679730 /nfs/dbraw/zinc/67/97/30/601679730.db2.gz XEIOEUMZHVNAPH-ZDUSSCGKSA-N -1 0 332.400 3.640 20 0 EHADRM O=C([O-])[C@H](OC(=O)C1(Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000833171387 601684693 /nfs/dbraw/zinc/68/46/93/601684693.db2.gz WSQRXHVPROGHIT-MRXNPFEDSA-N -1 0 328.339 3.518 20 0 EHADRM CCN(c1ccc(NC(=O)NCC2(C(=O)[O-])CCCC2)cc1)C(C)C ZINC000829740665 601685009 /nfs/dbraw/zinc/68/50/09/601685009.db2.gz PBTLFDNNJLQVQH-UHFFFAOYSA-N -1 0 347.459 3.688 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N2CCc3c(F)ccc(F)c3C2)cc1 ZINC000833289817 601695902 /nfs/dbraw/zinc/69/59/02/601695902.db2.gz MIWLVXHWCVMTAB-UHFFFAOYSA-N -1 0 347.321 3.645 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)CCc1c[nH]c2ccccc12 ZINC000833031489 601702645 /nfs/dbraw/zinc/70/26/45/601702645.db2.gz MDJWHOQROZMHDM-UHFFFAOYSA-N -1 0 343.404 3.912 20 0 EHADRM CCC(CC)(C(=O)NCC(C)(C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000236868553 601709939 /nfs/dbraw/zinc/70/99/39/601709939.db2.gz NEQOGKQDCVXVCV-UHFFFAOYSA-N -1 0 325.836 3.625 20 0 EHADRM COc1cccc2cc(C(=O)OCc3ccc(C(=O)[O-])c(F)c3)oc21 ZINC000832577329 601722008 /nfs/dbraw/zinc/72/20/08/601722008.db2.gz GORUSODYCJLNRZ-UHFFFAOYSA-N -1 0 344.294 3.636 20 0 EHADRM Cc1cc(NC(=O)NCC2(C(=O)[O-])CCCC2)ccc1OC(C)C ZINC000832894540 601726654 /nfs/dbraw/zinc/72/66/54/601726654.db2.gz HHGDRJCHXRQJQV-UHFFFAOYSA-N -1 0 334.416 3.549 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1[nH]c2ccccc2c1Cl ZINC000738630704 601730627 /nfs/dbraw/zinc/73/06/27/601730627.db2.gz JUFKFDSYPVASMB-UHFFFAOYSA-N -1 0 328.755 3.701 20 0 EHADRM C[C@H](CCOc1ccccc1)C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000827422058 601732682 /nfs/dbraw/zinc/73/26/82/601732682.db2.gz JKYYSRHZAAIWIE-CYBMUJFWSA-N -1 0 346.354 3.672 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Cc1csc2ccccc12)c1ccccc1F ZINC000678984837 601739038 /nfs/dbraw/zinc/73/90/38/601739038.db2.gz GPUWFMMISGISCX-KRWDZBQOSA-N -1 0 343.379 3.525 20 0 EHADRM CC(C)Sc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000678988571 601741489 /nfs/dbraw/zinc/74/14/89/601741489.db2.gz NAAWFFWJZOYJIQ-INIZCTEOSA-N -1 0 347.411 3.882 20 0 EHADRM Cc1cc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c(C)n1C1CCCCC1 ZINC000237682311 601743318 /nfs/dbraw/zinc/74/33/18/601743318.db2.gz VIYAUEUETUDSHG-QGZVFWFLSA-N -1 0 332.444 3.689 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1F ZINC000678985132 601744310 /nfs/dbraw/zinc/74/43/10/601744310.db2.gz BFLNEGYQSPIJIS-OAHLLOKOSA-N -1 0 346.745 3.516 20 0 EHADRM CSc1cc(C)ccc1CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000832774712 601753506 /nfs/dbraw/zinc/75/35/06/601753506.db2.gz ZZXYAGFCGYNZNC-UHFFFAOYSA-N -1 0 348.399 3.876 20 0 EHADRM CC[C@H](NC(=O)c1ccc(CSc2ccccc2)cc1)C(=O)[O-] ZINC000237060103 601753730 /nfs/dbraw/zinc/75/37/30/601753730.db2.gz KYFPVMHHHZBURW-INIZCTEOSA-N -1 0 329.421 3.572 20 0 EHADRM C[C@H](C(=O)N[C@@H](C(=O)[O-])C1CCCCC1)c1ccc(Cl)s1 ZINC000621585505 601755567 /nfs/dbraw/zinc/75/55/67/601755567.db2.gz BYWIDVCDJAZITI-TVQRCGJNSA-N -1 0 329.849 3.655 20 0 EHADRM C[C@@H]1CN(C(=S)Nc2ccccc2-c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000828414266 601765268 /nfs/dbraw/zinc/76/52/68/601765268.db2.gz YMSINBTWONHEDD-CJNGLKHVSA-N -1 0 340.448 3.703 20 0 EHADRM O=C([O-])c1cc(C(=O)N[C@H](c2ccccc2F)C2CCCC2)ccn1 ZINC000238175945 601774535 /nfs/dbraw/zinc/77/45/35/601774535.db2.gz CXJJVKBJHGZSIJ-KRWDZBQOSA-N -1 0 342.370 3.580 20 0 EHADRM Cc1cc(F)ccc1CCNC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000832889843 601781618 /nfs/dbraw/zinc/78/16/18/601781618.db2.gz QORROEDISXGSMK-UHFFFAOYSA-N -1 0 331.347 3.588 20 0 EHADRM CN(C)C(=O)Sc1ccc(CSc2ncccc2C(=O)[O-])cc1 ZINC000830569634 601782483 /nfs/dbraw/zinc/78/24/83/601782483.db2.gz QUMIOJVHKKXSPG-UHFFFAOYSA-N -1 0 348.449 3.846 20 0 EHADRM CN(C)C(=O)Sc1ccc(CNc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000830563319 601787427 /nfs/dbraw/zinc/78/74/27/601787427.db2.gz IAKLWIDIFZHNIK-UHFFFAOYSA-N -1 0 348.399 3.910 20 0 EHADRM Cc1cc(CCCC(=O)Nc2nc(C)c(C(=O)[O-])s2)c(C)s1 ZINC000832881436 601800601 /nfs/dbraw/zinc/80/06/01/601800601.db2.gz CWKOFTBNDUZVAF-UHFFFAOYSA-N -1 0 338.454 3.789 20 0 EHADRM Cc1cc(O)c(C(C)C)cc1NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC000832899154 601802178 /nfs/dbraw/zinc/80/21/78/601802178.db2.gz NVCXVBVSTYTTOZ-UHFFFAOYSA-N -1 0 343.379 3.540 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC000237305351 601802931 /nfs/dbraw/zinc/80/29/31/601802931.db2.gz OULBRQHAFJGICP-AWEZNQCLSA-N -1 0 341.407 3.845 20 0 EHADRM CC(=O)Nc1ccc(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])cc1 ZINC000825890479 601808640 /nfs/dbraw/zinc/80/86/40/601808640.db2.gz MOULIIWQBVVSLV-UHFFFAOYSA-N -1 0 344.392 3.534 20 0 EHADRM CCOc1cccc(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])c1 ZINC000830099511 601810077 /nfs/dbraw/zinc/81/00/77/601810077.db2.gz HANBFDOCNREXCE-UHFFFAOYSA-N -1 0 331.393 3.975 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2ccc(Oc3ccccc3)o2)CC1 ZINC000538583437 601813372 /nfs/dbraw/zinc/81/33/72/601813372.db2.gz HRNMTODJXGCZLD-UHFFFAOYSA-N -1 0 343.379 3.789 20 0 EHADRM O=C([O-])c1ccc(CSCC(=O)NC2CCCCCC2)cc1F ZINC000833116280 601814503 /nfs/dbraw/zinc/81/45/03/601814503.db2.gz ZEHSHVLNNKFTBF-UHFFFAOYSA-N -1 0 339.432 3.596 20 0 EHADRM O=C([O-])c1cc(C(=O)Nc2ccc(CCC(F)(F)F)cc2)ccn1 ZINC000833158399 601814562 /nfs/dbraw/zinc/81/45/62/601814562.db2.gz VTKYQTNUUVXNKG-UHFFFAOYSA-N -1 0 338.285 3.527 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)CSc2ccc(Cl)cc2)CC1 ZINC000315041658 601820640 /nfs/dbraw/zinc/82/06/40/601820640.db2.gz KXRVDVOPZDSLBM-UHFFFAOYSA-N -1 0 341.860 3.536 20 0 EHADRM CC(C)c1ccc(OCCC(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000679096601 601821881 /nfs/dbraw/zinc/82/18/81/601821881.db2.gz UXXICIPCQSXJHK-UHFFFAOYSA-N -1 0 347.455 3.682 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)N2CCC(CCC(=O)[O-])CC2)c(C)c1 ZINC000659394438 601825356 /nfs/dbraw/zinc/82/53/56/601825356.db2.gz TVCQNZJLFIDAOB-HNNXBMFYSA-N -1 0 332.444 3.651 20 0 EHADRM Cc1cc(C)cc(C[C@H](C)NC(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC000659398811 601828051 /nfs/dbraw/zinc/82/80/51/601828051.db2.gz HDABKAIOXFMJBB-INIZCTEOSA-N -1 0 346.471 3.521 20 0 EHADRM O=C([O-])c1ccc(CSCc2cc(F)cc3c2OCOC3)s1 ZINC000833316396 601846548 /nfs/dbraw/zinc/84/65/48/601846548.db2.gz DCLNKFSYMBFTKB-UHFFFAOYSA-N -1 0 340.397 3.885 20 0 EHADRM COc1cccc2c1CC[C@H]2NC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000832573578 601859971 /nfs/dbraw/zinc/85/99/71/601859971.db2.gz WMGKCOJJZUAZGQ-OAHLLOKOSA-N -1 0 340.379 3.511 20 0 EHADRM CC(C)(C(=O)Oc1ccc(SCC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000826127417 601871748 /nfs/dbraw/zinc/87/17/48/601871748.db2.gz SSMHUCKMYOYVEK-UHFFFAOYSA-N -1 0 348.395 3.886 20 0 EHADRM O=C([O-])NC1CCC(C(=O)N[C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000740554304 601876258 /nfs/dbraw/zinc/87/62/58/601876258.db2.gz UMSMKNADLRBUFW-ABHNRTSZSA-N -1 0 344.455 3.861 20 0 EHADRM Cc1cccc(O[C@@H](C)C(=O)Oc2ccc(SCC(=O)[O-])cc2)c1 ZINC000832972794 601878654 /nfs/dbraw/zinc/87/86/54/601878654.db2.gz IMUHXLNCVNKPMO-ZDUSSCGKSA-N -1 0 346.404 3.545 20 0 EHADRM O=C([O-])c1sccc1COc1ccc(F)cc1Br ZINC000110952599 601890495 /nfs/dbraw/zinc/89/04/95/601890495.db2.gz DCICWDMGMZAYHG-UHFFFAOYSA-N -1 0 331.162 3.927 20 0 EHADRM CC[C@@H](S[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000829020618 601896541 /nfs/dbraw/zinc/89/65/41/601896541.db2.gz IABKVOUDYALHCW-XJKSGUPXSA-N -1 0 335.469 3.583 20 0 EHADRM CN(Cc1ccc(F)cc1F)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830825475 601905214 /nfs/dbraw/zinc/90/52/14/601905214.db2.gz YETHZJNHRGSLFP-OAHLLOKOSA-N -1 0 345.267 3.640 20 0 EHADRM O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)C(F)=C1CCCC1 ZINC000833233344 601944894 /nfs/dbraw/zinc/94/48/94/601944894.db2.gz RTGASKMPMYRGDK-UHFFFAOYSA-N -1 0 341.329 3.566 20 0 EHADRM CC1(C)C(=O)Nc2ccc(C(=O)c3cc4cc(C(=O)[O-])ccc4o3)cc21 ZINC000828046401 601949856 /nfs/dbraw/zinc/94/98/56/601949856.db2.gz VWHQSJSCWQNGAG-UHFFFAOYSA-N -1 0 349.342 3.592 20 0 EHADRM C[C@@H]1CC[C@H](C)N1CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000828215109 601971197 /nfs/dbraw/zinc/97/11/97/601971197.db2.gz ZPEQKOMSZLIMHD-DTORHVGOSA-N -1 0 345.226 3.503 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OC(=O)/C=C/SCc1ccco1 ZINC000833093211 601973054 /nfs/dbraw/zinc/97/30/54/601973054.db2.gz VVODQLHTNQHVHX-FNORWQNLSA-N -1 0 338.768 3.984 20 0 EHADRM Cc1cc(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)c(Cl)cc1F ZINC000621586046 601976789 /nfs/dbraw/zinc/97/67/89/601976789.db2.gz QCGMZZYBIRQGAS-AWEZNQCLSA-N -1 0 327.783 3.551 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cccc(OC(F)(F)F)c2)cc1 ZINC000167281131 601980722 /nfs/dbraw/zinc/98/07/22/601980722.db2.gz MINPJJFYWWBKEG-UHFFFAOYSA-N -1 0 340.257 3.927 20 0 EHADRM Cc1cc(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)c(Cl)cc1F ZINC000832867665 601985041 /nfs/dbraw/zinc/98/50/41/601985041.db2.gz AWTNZTISTUUVGM-QMMMGPOBSA-N -1 0 326.707 3.997 20 0 EHADRM Cc1cccc(C2(C(=O)Nc3ccc(NC(=O)[O-])nc3)CCC2)c1 ZINC000740166257 601994533 /nfs/dbraw/zinc/99/45/33/601994533.db2.gz NGNGZELBXIMSAY-UHFFFAOYSA-N -1 0 325.368 3.540 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)Nc2ccc(OC3CCCCC3)cc2)C1 ZINC000573308512 601995494 /nfs/dbraw/zinc/99/54/94/601995494.db2.gz PMLHOIMYBYRQCM-IBGZPJMESA-N -1 0 346.427 3.727 20 0 EHADRM CC(C)OCc1ccc(C(=O)OCc2ccc(C(=O)[O-])s2)cc1 ZINC000827033783 602000471 /nfs/dbraw/zinc/00/04/71/602000471.db2.gz RQAPICFWDOKDSL-UHFFFAOYSA-N -1 0 334.393 3.728 20 0 EHADRM C[C@H](CC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC000237541892 602004126 /nfs/dbraw/zinc/00/41/26/602004126.db2.gz HKVAHENTOCVWRS-BDJLRTHQSA-N -1 0 343.345 3.522 20 0 EHADRM C[C@@H](CC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC000237338731 602004400 /nfs/dbraw/zinc/00/44/00/602004400.db2.gz HKVAHENTOCVWRS-MEDUHNTESA-N -1 0 343.345 3.522 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2csc(-c3ccoc3)n2)s1 ZINC000833352672 602009000 /nfs/dbraw/zinc/00/90/00/602009000.db2.gz HECRROOXHHAYAB-UHFFFAOYSA-N -1 0 335.362 3.520 20 0 EHADRM CC[C@@H](C)CN(C)C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000828746989 602009410 /nfs/dbraw/zinc/00/94/10/602009410.db2.gz KRNLZAPRMGJZSW-SECBINFHSA-N -1 0 332.322 3.913 20 0 EHADRM CC[C@H](C)CN(C)C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000828746993 602009468 /nfs/dbraw/zinc/00/94/68/602009468.db2.gz KRNLZAPRMGJZSW-VIFPVBQESA-N -1 0 332.322 3.913 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)s1 ZINC000833314916 602011744 /nfs/dbraw/zinc/01/17/44/602011744.db2.gz LWXXQGHHOYKCNQ-ZYHUDNBSSA-N -1 0 338.331 3.571 20 0 EHADRM CC(C)(NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000826627195 602016423 /nfs/dbraw/zinc/01/64/23/602016423.db2.gz HXDOCJJQZNPNCO-UHFFFAOYSA-N -1 0 330.306 3.714 20 0 EHADRM C[C@]1(C(=O)NCCCCCCCC(=O)[O-])CCCc2ccccc21 ZINC000237752973 602022262 /nfs/dbraw/zinc/02/22/62/602022262.db2.gz MFUXQUSUSCCDIW-FQEVSTJZSA-N -1 0 331.456 3.822 20 0 EHADRM CCC[C@@H]1C[C@@H]1NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000829256417 602023866 /nfs/dbraw/zinc/02/38/66/602023866.db2.gz OWPKRRWMQAGHGK-PELKAZGASA-N -1 0 330.306 3.714 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)Nc1ccc(F)c(F)c1F ZINC000833158226 602025796 /nfs/dbraw/zinc/02/57/96/602025796.db2.gz WBOZRQMTFXBDSQ-MWLCHTKSSA-N -1 0 344.333 3.649 20 0 EHADRM Cc1ccc(Nc2ccccc2C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000583399049 602036858 /nfs/dbraw/zinc/03/68/58/602036858.db2.gz VGKPIFZDLKUVLC-FQEVSTJZSA-N -1 0 338.407 3.675 20 0 EHADRM O=C([O-])NC1(C(=O)Nc2cccc(SC(F)F)c2)CCCC1 ZINC000740542804 602039757 /nfs/dbraw/zinc/03/97/57/602039757.db2.gz LAWAXUHVSCXFRR-UHFFFAOYSA-N -1 0 330.356 3.520 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CCC3(CCC3)C2)cc(C(F)(F)F)c1 ZINC000833282598 602044285 /nfs/dbraw/zinc/04/42/85/602044285.db2.gz ZYSIHEIMLHKMRH-UHFFFAOYSA-N -1 0 342.317 3.812 20 0 EHADRM O=C([O-])c1ccc2nc(SCc3cnc(Cl)s3)oc2c1 ZINC000833326594 602052695 /nfs/dbraw/zinc/05/26/95/602052695.db2.gz SPCXIUXHDUMECF-UHFFFAOYSA-N -1 0 326.786 3.928 20 0 EHADRM Cc1ccc(Br)c(C(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000161408365 602074227 /nfs/dbraw/zinc/07/42/27/602074227.db2.gz QTBNJZASZGLTCR-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM CC(C)(C(=O)Nc1cccc(CC(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000533197320 602074376 /nfs/dbraw/zinc/07/43/76/602074376.db2.gz HVHXBAZBWATTJA-UHFFFAOYSA-N -1 0 331.799 3.883 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000532695848 602074779 /nfs/dbraw/zinc/07/47/79/602074779.db2.gz GRWRIJOUIWCWAJ-FHLIZLRMSA-N -1 0 347.455 3.730 20 0 EHADRM C[C@H](NC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1cccc(Cl)c1Cl ZINC000263261097 602082001 /nfs/dbraw/zinc/08/20/01/602082001.db2.gz QHYDDOAWIYLSQZ-VFZGTOFNSA-N -1 0 345.226 3.561 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)OC/C(Cl)=C/Cl)C(=O)[O-] ZINC000827922765 602084654 /nfs/dbraw/zinc/08/46/54/602084654.db2.gz YDAUWIVKZTUBCF-WSQKDGNHSA-N -1 0 335.208 3.728 20 0 EHADRM Cc1ncccc1C(=O)O[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000833009451 602086456 /nfs/dbraw/zinc/08/64/56/602086456.db2.gz VSKADUAZIOYCNJ-CYBMUJFWSA-N -1 0 340.162 3.680 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@H]1CCCS1)c1cc(Cl)cc(Cl)c1 ZINC000833348284 602088449 /nfs/dbraw/zinc/08/84/49/602088449.db2.gz RQMOKQVNTNKQMW-GHMZBOCLSA-N -1 0 335.208 3.558 20 0 EHADRM CO[C@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccccc1Cl ZINC000831512036 602092047 /nfs/dbraw/zinc/09/20/47/602092047.db2.gz VJWKQVZKWGSION-OAHLLOKOSA-N -1 0 348.786 3.547 20 0 EHADRM CN(C)c1c(Cl)cccc1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737956291 602094534 /nfs/dbraw/zinc/09/45/34/602094534.db2.gz BUOXWNRAWCSUHR-UHFFFAOYSA-N -1 0 347.802 3.677 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Nc2ccnn2C2CCCCC2)c1 ZINC000738622691 602100220 /nfs/dbraw/zinc/10/02/20/602100220.db2.gz GOMVTNYHZURHBM-UHFFFAOYSA-N -1 0 342.399 3.659 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cccc(Cl)c2F)cc1F ZINC000833316111 602101048 /nfs/dbraw/zinc/10/10/48/602101048.db2.gz QCEKSJPWHIONAU-UHFFFAOYSA-N -1 0 326.682 3.673 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)Nc1cc(C)c(C(=O)[O-])s1 ZINC000829009349 602102524 /nfs/dbraw/zinc/10/25/24/602102524.db2.gz BZPHKMFBBOMVRD-GFCCVEGCSA-N -1 0 325.430 3.821 20 0 EHADRM CC(C)C1CCC(NC(=O)Nc2ccc(CNC(=O)[O-])cc2)CC1 ZINC000826728090 602104107 /nfs/dbraw/zinc/10/41/07/602104107.db2.gz ZPFJBQYDSQZLKM-UHFFFAOYSA-N -1 0 333.432 3.791 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc2sccc2c1)c1cccs1 ZINC000678976774 602107709 /nfs/dbraw/zinc/10/77/09/602107709.db2.gz GYRATJQYVUOFSG-GFCCVEGCSA-N -1 0 331.418 3.909 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)COC/C=C/c1ccccc1 ZINC000833112478 602116232 /nfs/dbraw/zinc/11/62/32/602116232.db2.gz MVVLTZYKEFEAIE-QPJJXVBHSA-N -1 0 345.782 3.707 20 0 EHADRM CCC(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])cc1 ZINC000828573827 602120169 /nfs/dbraw/zinc/12/01/69/602120169.db2.gz CXVUWKXVEWDQOB-UHFFFAOYSA-N -1 0 331.755 3.883 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)Nc1ccc(-c2nc(C)c(C)o2)cc1 ZINC000739229454 602134172 /nfs/dbraw/zinc/13/41/72/602134172.db2.gz GLJMFSVRIXZJMN-BMIGLBTASA-N -1 0 345.399 3.579 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(C)c2F)cc1 ZINC000832777517 602138532 /nfs/dbraw/zinc/13/85/32/602138532.db2.gz PTVKPMJIJMQVGD-OAHLLOKOSA-N -1 0 347.411 3.802 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000263357815 602140278 /nfs/dbraw/zinc/14/02/78/602140278.db2.gz XOSQASZQGVEYNF-ROUUACIJSA-N -1 0 347.455 3.837 20 0 EHADRM CCc1oc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)cc1C ZINC000761897419 602157174 /nfs/dbraw/zinc/15/71/74/602157174.db2.gz KVJWXENOQGYUKY-ZDUSSCGKSA-N -1 0 335.787 3.750 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000263166970 602159102 /nfs/dbraw/zinc/15/91/02/602159102.db2.gz FMXXDFFBFOUUGH-FHLIZLRMSA-N -1 0 347.455 3.693 20 0 EHADRM Cc1cc(OCc2ccccc2)ccc1NC(=O)[C@@H](C)CC(=O)[O-] ZINC000832901097 602166464 /nfs/dbraw/zinc/16/64/64/602166464.db2.gz UNGMAHSAWHRHIP-AWEZNQCLSA-N -1 0 327.380 3.623 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)Nc1ccccc1OCc1cccc(Cl)c1 ZINC000827318528 602167476 /nfs/dbraw/zinc/16/74/76/602167476.db2.gz XQAWDZCCNYBRMY-GFCCVEGCSA-N -1 0 347.798 3.968 20 0 EHADRM Cc1ccc(SCC(F)(F)F)c(NC(=O)[C@@H](C)CC(=O)[O-])c1 ZINC000832957585 602168240 /nfs/dbraw/zinc/16/82/40/602168240.db2.gz MVXYHQXHEZMDSM-VIFPVBQESA-N -1 0 335.347 3.699 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)Cc1cccc(Br)c1 ZINC000740716699 602174534 /nfs/dbraw/zinc/17/45/34/602174534.db2.gz ZWFYMOLDLYHEFT-UHFFFAOYSA-N -1 0 349.184 3.720 20 0 EHADRM Cc1oc(-c2ccsc2)nc1CC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000191373137 602178643 /nfs/dbraw/zinc/17/86/43/602178643.db2.gz NBFFQSLOCWXORF-UHFFFAOYSA-N -1 0 348.405 3.652 20 0 EHADRM CCOc1ccccc1OCCCC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000559377013 602179729 /nfs/dbraw/zinc/17/97/29/602179729.db2.gz DCHLEFSTKAFWKZ-UHFFFAOYSA-N -1 0 349.408 3.643 20 0 EHADRM COc1ccc2c(CC(=O)Nc3ccccc3NC(=O)[O-])coc2c1 ZINC000739935904 602179827 /nfs/dbraw/zinc/17/98/27/602179827.db2.gz YBZVHNFTUBZBTB-UHFFFAOYSA-N -1 0 340.335 3.713 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)c1cccc(Br)c1 ZINC000740714877 602180638 /nfs/dbraw/zinc/18/06/38/602180638.db2.gz ANJOTGKKWRHXQE-UHFFFAOYSA-N -1 0 335.157 3.791 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000569301076 602187639 /nfs/dbraw/zinc/18/76/39/602187639.db2.gz RPEOMVGGFHXHLM-LLVKDONJSA-N -1 0 333.409 3.977 20 0 EHADRM O=C([O-])c1csc(NC(=O)CCOc2ccc(F)c(Cl)c2)c1 ZINC000833103217 602188384 /nfs/dbraw/zinc/18/83/84/602188384.db2.gz QPKGSUPIPRJKEG-UHFFFAOYSA-N -1 0 343.763 3.646 20 0 EHADRM Cc1c(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cccc1C(F)(F)F ZINC000191563611 602189696 /nfs/dbraw/zinc/18/96/96/602189696.db2.gz IIMAMPBZVIKMCE-WDEREUQCSA-N -1 0 329.318 3.843 20 0 EHADRM CC[C@@H](OC(=O)[C@H](C)CC(=O)[O-])c1cccc(Br)c1 ZINC000829004655 602189863 /nfs/dbraw/zinc/18/98/63/602189863.db2.gz OCCZZRWCMFYSOQ-BXKDBHETSA-N -1 0 329.190 3.554 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)O[C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000827333077 602193984 /nfs/dbraw/zinc/19/39/84/602193984.db2.gz GZWJHNKKYVYUNR-SMDDNHRTSA-N -1 0 345.420 3.842 20 0 EHADRM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739055532 602200096 /nfs/dbraw/zinc/20/00/96/602200096.db2.gz PMMUDJCQWPTCPV-LLVKDONJSA-N -1 0 348.786 3.514 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N1CCc2c(Cl)cc(Cl)cc2[C@H]1C ZINC000827263722 602203505 /nfs/dbraw/zinc/20/35/05/602203505.db2.gz SVYOURWNULHTEV-DTWKUNHWSA-N -1 0 330.211 3.550 20 0 EHADRM Cc1cccc(NC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])c1 ZINC000832970058 602234749 /nfs/dbraw/zinc/23/47/49/602234749.db2.gz ALXYMWAPZXDEKY-MRXNPFEDSA-N -1 0 326.396 3.969 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)c3cc(-c4ccccc4)no3)ccc21 ZINC000740470188 602239528 /nfs/dbraw/zinc/23/95/28/602239528.db2.gz KXOHLJAASKRJDV-UHFFFAOYSA-N -1 0 349.346 3.634 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)c3cc(-c4ccccc4)on3)ccc21 ZINC000740470263 602240732 /nfs/dbraw/zinc/24/07/32/602240732.db2.gz OGQQQTMATPUHMT-UHFFFAOYSA-N -1 0 349.346 3.634 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000832886757 602241327 /nfs/dbraw/zinc/24/13/27/602241327.db2.gz VBDZJCGZZKUKHY-UHFFFAOYSA-N -1 0 333.771 3.754 20 0 EHADRM CCn1c(SCc2occc2C(=O)[O-])nnc1-c1ccc(C)cc1 ZINC000830416150 602242463 /nfs/dbraw/zinc/24/24/63/602242463.db2.gz ILLABYPTUIDYJD-UHFFFAOYSA-N -1 0 343.408 3.857 20 0 EHADRM O=C([O-])N1CCN(C(=O)CCCc2cccs2)c2ccccc2C1 ZINC000740524619 602245795 /nfs/dbraw/zinc/24/57/95/602245795.db2.gz GTFZVEBACDJMBV-UHFFFAOYSA-N -1 0 344.436 3.598 20 0 EHADRM COc1ccc(NC(=O)c2ccc(-c3ccco3)s2)c(C(=O)[O-])c1 ZINC000832403970 602246116 /nfs/dbraw/zinc/24/61/16/602246116.db2.gz DGUJIMLDPHYRGR-UHFFFAOYSA-N -1 0 343.360 3.967 20 0 EHADRM CN(Cc1ccccc1NC(=O)c1ccc(C(F)F)cc1)C(=O)[O-] ZINC000739718740 602248388 /nfs/dbraw/zinc/24/83/88/602248388.db2.gz WDRMRDMDHIOYAY-UHFFFAOYSA-N -1 0 334.322 3.986 20 0 EHADRM Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)CN(C)C(=O)[O-] ZINC000738464286 602258817 /nfs/dbraw/zinc/25/88/17/602258817.db2.gz FECGPRRVEDSUIG-AWEZNQCLSA-N -1 0 342.395 3.683 20 0 EHADRM C[C@H](NC(=O)c1ccc(CNC(=O)[O-])cc1)c1ccccc1Cl ZINC000739023382 602259532 /nfs/dbraw/zinc/25/95/32/602259532.db2.gz LYHHPPHXVQBQMQ-NSHDSACASA-N -1 0 332.787 3.599 20 0 EHADRM COCCC1(CNC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)CCCC1 ZINC000831684918 602276398 /nfs/dbraw/zinc/27/63/98/602276398.db2.gz VWUZVLYPHUMUIQ-UHFFFAOYSA-N -1 0 349.431 3.519 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)NCc3ccccc3Cl)ccc21 ZINC000740448536 602280856 /nfs/dbraw/zinc/28/08/56/602280856.db2.gz DCIRJCXGJRAVJB-UHFFFAOYSA-N -1 0 345.786 3.702 20 0 EHADRM Cc1nc(CC(C)C)c(NC(=O)NCc2ccc(C(=O)[O-])cc2)s1 ZINC000263022001 602283121 /nfs/dbraw/zinc/28/31/21/602283121.db2.gz JGLYFCDVKKIWRL-UHFFFAOYSA-N -1 0 347.440 3.670 20 0 EHADRM O=C([O-])Nc1cc2ccccc2cc1C(=O)Nc1ccc(F)cn1 ZINC000740694428 602297179 /nfs/dbraw/zinc/29/71/79/602297179.db2.gz CQHLQGNMDGJWOA-UHFFFAOYSA-N -1 0 325.299 3.716 20 0 EHADRM Cc1ccc(CC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c(Cl)c1 ZINC000832929220 602309672 /nfs/dbraw/zinc/30/96/72/602309672.db2.gz NNRPHCBYLJNHHH-INIZCTEOSA-N -1 0 331.799 3.523 20 0 EHADRM C[C@@H]1CC[C@H](CC(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)C1 ZINC000828221507 602312689 /nfs/dbraw/zinc/31/26/89/602312689.db2.gz QWQPSUZFDZPHIO-OLZOCXBDSA-N -1 0 339.382 3.594 20 0 EHADRM CN(C(=O)c1ccc(-c2ccc(F)cc2)o1)c1ncc(C(=O)[O-])s1 ZINC000830524050 602335064 /nfs/dbraw/zinc/33/50/64/602335064.db2.gz SJUWHJJFRXFFGH-UHFFFAOYSA-N -1 0 346.339 3.517 20 0 EHADRM C[C@H](Sc1ccccn1)C(=O)Oc1ccc(Cl)cc1C(=O)[O-] ZINC000827922815 602346700 /nfs/dbraw/zinc/34/67/00/602346700.db2.gz ZPBVSBNVFFIBDT-VIFPVBQESA-N -1 0 337.784 3.519 20 0 EHADRM CCC[C@H](NC(=O)[O-])C(=O)Nc1cccc(C2SCCS2)c1 ZINC000739323434 602347197 /nfs/dbraw/zinc/34/71/97/602347197.db2.gz VQMUKTAJXIJQLY-LBPRGKRZSA-N -1 0 340.470 3.540 20 0 EHADRM CC(C)Sc1ccc([C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[O-])cc1 ZINC000738870513 602352866 /nfs/dbraw/zinc/35/28/66/602352866.db2.gz ZLBUYQOOHCDEBU-WFASDCNBSA-N -1 0 336.457 3.507 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)cc1F ZINC000767199994 602354568 /nfs/dbraw/zinc/35/45/68/602354568.db2.gz BQOBWSJEELTXGB-NEPJUHHUSA-N -1 0 335.281 3.544 20 0 EHADRM COCc1c2ccccc2oc1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000767200975 602355279 /nfs/dbraw/zinc/35/52/79/602355279.db2.gz JYKGEDQSUVTZSS-UHFFFAOYSA-N -1 0 343.310 3.669 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc(C(F)(F)F)c2F)cc1F ZINC000325940386 602355944 /nfs/dbraw/zinc/35/59/44/602355944.db2.gz XUDDUUJXHHLYGM-UHFFFAOYSA-N -1 0 345.223 3.934 20 0 EHADRM Cn1cc(NC(=O)N[C@@H](c2ccccc2)C2CCCC2)cc1C(=O)[O-] ZINC000833048195 602357499 /nfs/dbraw/zinc/35/74/99/602357499.db2.gz FFUYTAWVFFZRRX-KRWDZBQOSA-N -1 0 341.411 3.776 20 0 EHADRM Cn1cc(CCC(=O)Nc2ccc(C(=O)[O-])c(F)c2)c2ccccc21 ZINC000776646710 602359845 /nfs/dbraw/zinc/35/98/45/602359845.db2.gz LVOGJOAJGFYMAE-UHFFFAOYSA-N -1 0 340.354 3.587 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)C1CCC(NC(=O)[O-])CC1 ZINC000739440003 602366668 /nfs/dbraw/zinc/36/66/68/602366668.db2.gz RVRHGRJFLBBLHW-UHFFFAOYSA-N -1 0 344.864 3.576 20 0 EHADRM Cc1ccc(Cl)c(NC(=O)N[C@H](CC(=O)[O-])c2ccccc2)c1 ZINC000323016745 602367650 /nfs/dbraw/zinc/36/76/50/602367650.db2.gz HOLCNTBEPRFYLD-CQSZACIVSA-N -1 0 332.787 3.986 20 0 EHADRM CC[C@H](NC(=O)C1CCC(NC(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000739261341 602380565 /nfs/dbraw/zinc/38/05/65/602380565.db2.gz UUMCDXRJQKBQBQ-KWCHVYNWSA-N -1 0 338.835 3.734 20 0 EHADRM C[C@@H](c1ccccc1F)N(C)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000325683460 602381427 /nfs/dbraw/zinc/38/14/27/602381427.db2.gz FTSUDAXGJZAKDZ-JTQLQIEISA-N -1 0 334.322 3.888 20 0 EHADRM CN(c1ccccc1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)C1CCCC1 ZINC000830888301 602393121 /nfs/dbraw/zinc/39/31/21/602393121.db2.gz JVWVBYFOZCXRGV-LSDHHAIUSA-N -1 0 344.455 3.895 20 0 EHADRM Cn1c2ccccc2c(Cl)c1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000767200665 602393687 /nfs/dbraw/zinc/39/36/87/602393687.db2.gz GQNVNGPWJPOUCO-UHFFFAOYSA-N -1 0 346.745 3.921 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccc(C(=O)[O-])c(F)c2)o1 ZINC000326064648 602393807 /nfs/dbraw/zinc/39/38/07/602393807.db2.gz FTNUQUNCLAWIDI-HZMBPMFUSA-N -1 0 331.343 3.812 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000740033580 602406654 /nfs/dbraw/zinc/40/66/54/602406654.db2.gz VOHVJXDDDQIKQB-ZDUSSCGKSA-N -1 0 344.411 3.558 20 0 EHADRM Cc1c(-c2nc([C@@H](CC(C)C)NC(=O)[O-])no2)oc2c1C(=O)CCC2 ZINC000740033064 602407207 /nfs/dbraw/zinc/40/72/07/602407207.db2.gz XCLIIRUDKGTSSZ-SNVBAGLBSA-N -1 0 347.371 3.512 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc([C@@H](C)Cc2cccc(F)c2)n1 ZINC000738815489 602407402 /nfs/dbraw/zinc/40/74/02/602407402.db2.gz GVHNCQOARAUATA-SMDDNHRTSA-N -1 0 335.379 3.910 20 0 EHADRM Cc1ccc(C)c(OCc2nc([C@@H](CC(C)C)NC(=O)[O-])no2)c1 ZINC000740119807 602407491 /nfs/dbraw/zinc/40/74/91/602407491.db2.gz UBUAGZMFPLFXFE-CYBMUJFWSA-N -1 0 333.388 3.620 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(C[C@@H](C)c2ccccc2F)n1 ZINC000738817667 602408890 /nfs/dbraw/zinc/40/88/90/602408890.db2.gz RYDOPLMRULJFES-RISCZKNCSA-N -1 0 335.379 3.910 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(Cc2c[nH]c3cc(F)ccc23)n1 ZINC000738824081 602409809 /nfs/dbraw/zinc/40/98/09/602409809.db2.gz OMTFQZGKTQIKJI-CQSZACIVSA-N -1 0 346.362 3.636 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(COc2cccc(Cl)c2)n1 ZINC000738825270 602409866 /nfs/dbraw/zinc/40/98/66/602409866.db2.gz WHNMSIUWHXUVTD-GFCCVEGCSA-N -1 0 339.779 3.657 20 0 EHADRM O=C([O-])NC1(c2noc(-c3cccc(C(F)(F)F)c3)n2)CCCC1 ZINC000740548772 602411604 /nfs/dbraw/zinc/41/16/04/602411604.db2.gz JORGYMDTYZLGBS-UHFFFAOYSA-N -1 0 341.289 3.792 20 0 EHADRM O=C([O-])NC1(c2noc(CCc3ccc(Cl)s3)n2)CCCC1 ZINC000740550048 602412489 /nfs/dbraw/zinc/41/24/89/602412489.db2.gz NMOHVMIGZOAIPA-UHFFFAOYSA-N -1 0 341.820 3.607 20 0 EHADRM O=C([O-])N[C@H](CCc1nc(-c2cccc(F)c2)no1)c1ccccc1 ZINC000740539351 602415718 /nfs/dbraw/zinc/41/57/18/602415718.db2.gz IPYBPDKJMLCEGC-OAHLLOKOSA-N -1 0 341.342 3.817 20 0 EHADRM Cc1c2cccc(C)c2oc1-c1nc(C2(NC(=O)[O-])CCC2)no1 ZINC000740032531 602417807 /nfs/dbraw/zinc/41/78/07/602417807.db2.gz UDCQCLXCEKZCHG-UHFFFAOYSA-N -1 0 327.340 3.746 20 0 EHADRM CC(C)(C)c1ccc(OCc2nc(C3(NC(=O)[O-])CCC3)no2)cc1 ZINC000738726555 602418093 /nfs/dbraw/zinc/41/80/93/602418093.db2.gz USTRXZLXDMOLJF-UHFFFAOYSA-N -1 0 345.399 3.593 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2CCCC[C@@H]2c2nccs2)c1 ZINC000740027211 602448808 /nfs/dbraw/zinc/44/88/08/602448808.db2.gz PLNSTPOQUPJRDK-CYBMUJFWSA-N -1 0 331.397 3.600 20 0 EHADRM Cc1cc(F)ccc1NC(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000740082846 602454287 /nfs/dbraw/zinc/45/42/87/602454287.db2.gz QEOMWOGPGUXOSK-INIZCTEOSA-N -1 0 330.359 3.862 20 0 EHADRM Cc1ccccc1[C@@H](C)NC(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000740186021 602455368 /nfs/dbraw/zinc/45/53/68/602455368.db2.gz XNZPRRXGXJBNPI-CRAIPNDOSA-N -1 0 340.423 3.961 20 0 EHADRM CCCc1ccc(NC(=O)N2CCC([C@H](C)NC(=O)[O-])CC2)cc1 ZINC000739374322 602465508 /nfs/dbraw/zinc/46/55/08/602465508.db2.gz PWXKSAYAKVMVOH-ZDUSSCGKSA-N -1 0 333.432 3.539 20 0 EHADRM CCN(C(=O)CC[C@H](NC(=O)[O-])c1ccccc1)c1ccccc1F ZINC000739382843 602466704 /nfs/dbraw/zinc/46/67/04/602466704.db2.gz WSBVFPHBSUNSQA-INIZCTEOSA-N -1 0 344.386 3.968 20 0 EHADRM C[C@H](NC(=O)[O-])C1CCN(C(=O)Nc2cccc(C(F)F)c2)CC1 ZINC000739010433 602469765 /nfs/dbraw/zinc/46/97/65/602469765.db2.gz UHHZWHQXYBUYBP-JTQLQIEISA-N -1 0 341.358 3.524 20 0 EHADRM CC[C@@H](CNC(=O)c1ccc(F)c(NC(=O)[O-])c1)c1ccccc1 ZINC000739257449 602481692 /nfs/dbraw/zinc/48/16/92/602481692.db2.gz GRNLXUMORSVRJA-LBPRGKRZSA-N -1 0 330.359 3.839 20 0 EHADRM CCN(C(=O)c1ccc(F)c(NC(=O)[O-])c1)c1ccccc1OC ZINC000739380079 602483935 /nfs/dbraw/zinc/48/39/35/602483935.db2.gz JHNRIDLWZVEELH-UHFFFAOYSA-N -1 0 332.331 3.591 20 0 EHADRM C[C@@H](NC(=O)c1ccc(F)c(NC(=O)[O-])c1)c1c(F)cccc1F ZINC000739023394 602484007 /nfs/dbraw/zinc/48/40/07/602484007.db2.gz MBIXYMBZZHVATQ-MRVPVSSYSA-N -1 0 338.285 3.685 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CCCc3ccc(F)cc32)ccc1F ZINC000740695231 602484875 /nfs/dbraw/zinc/48/48/75/602484875.db2.gz FVQIDUAWKZTJMW-UHFFFAOYSA-N -1 0 332.306 3.648 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)c2ccc(F)c(NC(=O)[O-])c2)o1 ZINC000739086024 602485197 /nfs/dbraw/zinc/48/51/97/602485197.db2.gz DENJUAIBRYSSHE-SKDRFNHKSA-N -1 0 332.331 3.562 20 0 EHADRM CCOc1cccc([C@H](C)NC(=O)c2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000739502906 602486771 /nfs/dbraw/zinc/48/67/71/602486771.db2.gz DWIBVKAWAMPJMV-NSHDSACASA-N -1 0 346.358 3.805 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)c2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000739795543 602487776 /nfs/dbraw/zinc/48/77/76/602487776.db2.gz GQGNOCCBTOOLIV-SNVBAGLBSA-N -1 0 332.331 3.875 20 0 EHADRM C[C@H]1c2ccccc2CCN1C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739206567 602488427 /nfs/dbraw/zinc/48/84/27/602488427.db2.gz JRUGRCFWEMJCNT-NSHDSACASA-N -1 0 328.343 3.675 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Oc2ccccc2OC(F)F)ccc1F ZINC000740696037 602488601 /nfs/dbraw/zinc/48/86/01/602488601.db2.gz XYWBIVJTKOFKAP-UHFFFAOYSA-N -1 0 341.241 3.736 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000740710054 602499545 /nfs/dbraw/zinc/49/95/45/602499545.db2.gz WZTNVGAIOKLDHM-UHFFFAOYSA-N -1 0 338.285 3.977 20 0 EHADRM Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000740241507 602502917 /nfs/dbraw/zinc/50/29/17/602502917.db2.gz DFNJOEALIALAPQ-UHFFFAOYSA-N -1 0 330.388 3.597 20 0 EHADRM CCOc1ccc2cc(C(=O)Nc3ccc(NC(=O)[O-])cc3)[nH]c2c1 ZINC000739506168 602503319 /nfs/dbraw/zinc/50/33/19/602503319.db2.gz XPGSBLUTKJHFHV-UHFFFAOYSA-N -1 0 339.351 3.909 20 0 EHADRM CC(C)CCO[C@@H](C)C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000738822617 602509091 /nfs/dbraw/zinc/50/90/91/602509091.db2.gz PLIMTSAFASQUTQ-ZDUSSCGKSA-N -1 0 334.416 3.507 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)c1 ZINC000740673764 602514507 /nfs/dbraw/zinc/51/45/07/602514507.db2.gz HKRFMDGXXSGZNU-UHFFFAOYSA-N -1 0 344.798 3.778 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(CNC(=O)[O-])c2)c(C)n1C(C)C ZINC000740058433 602516070 /nfs/dbraw/zinc/51/60/70/602516070.db2.gz JSDDODKIZYBDOA-UHFFFAOYSA-N -1 0 329.400 3.706 20 0 EHADRM CCCN(C(=O)c1cc2sccc2s1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739344752 602517466 /nfs/dbraw/zinc/51/74/66/602517466.db2.gz LSHXSYOCHAXHNL-SNVBAGLBSA-N -1 0 338.454 3.567 20 0 EHADRM Cc1[nH]c2ccccc2c1C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2 ZINC000740034933 602543192 /nfs/dbraw/zinc/54/31/92/602543192.db2.gz OJTLNHQLNXRBAT-UHFFFAOYSA-N -1 0 349.390 3.765 20 0 EHADRM Cc1ccc(C(=O)COC(=O)c2ccc(F)c(NC(=O)[O-])c2)cc1C ZINC000740104572 602551190 /nfs/dbraw/zinc/55/11/90/602551190.db2.gz VUPCNKBFVYNYFU-UHFFFAOYSA-N -1 0 345.326 3.572 20 0 EHADRM COc1ccc([C@H](C)C(=O)Nc2ccc(OC)c(NC(=O)[O-])c2)cc1 ZINC000739893508 602567755 /nfs/dbraw/zinc/56/77/55/602567755.db2.gz AFNATCDNQRSIHI-NSHDSACASA-N -1 0 344.367 3.536 20 0 EHADRM CC[C@@](C)(NC(=O)Cc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000739217067 602568435 /nfs/dbraw/zinc/56/84/35/602568435.db2.gz BVDDTIZSRDAYOP-LJQANCHMSA-N -1 0 326.396 3.761 20 0 EHADRM CN(C(=O)[O-])[C@H]1CCCN(C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000739583238 602580070 /nfs/dbraw/zinc/58/00/70/602580070.db2.gz LCWUIXRLAURJPM-VIFPVBQESA-N -1 0 346.214 3.600 20 0 EHADRM CCc1ccc(NC(=O)N2CCC[C@H]([C@@H]3CCCN3C(=O)[O-])C2)cc1 ZINC000739540599 602580444 /nfs/dbraw/zinc/58/04/44/602580444.db2.gz CMNGIYBPLLROHO-RDJZCZTQSA-N -1 0 345.443 3.635 20 0 EHADRM CCCCCc1ccc(NC(=O)N2CCC[C@H](CNC(=O)[O-])C2)cc1 ZINC000739327718 602582072 /nfs/dbraw/zinc/58/20/72/602582072.db2.gz XPBKLZSKRUVPNW-MRXNPFEDSA-N -1 0 347.459 3.931 20 0 EHADRM Cc1cc(NC(=O)N2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)ccc1F ZINC000740086086 602597531 /nfs/dbraw/zinc/59/75/31/602597531.db2.gz JWWRAQWDPQWUNR-XJKSGUPXSA-N -1 0 349.406 3.520 20 0 EHADRM Cc1cccc(OCCN(C)C(=O)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000740174690 602601029 /nfs/dbraw/zinc/60/10/29/602601029.db2.gz WWWUHAURPXWHOI-UHFFFAOYSA-N -1 0 343.383 3.628 20 0 EHADRM CN(CC1CCCC1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739632319 602605151 /nfs/dbraw/zinc/60/51/51/602605151.db2.gz BORYINKEQISGEF-UHFFFAOYSA-N -1 0 331.416 3.771 20 0 EHADRM CCCSCC(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000739376248 602643467 /nfs/dbraw/zinc/64/34/67/602643467.db2.gz MGXGTMPAXNIOQN-UHFFFAOYSA-N -1 0 336.335 3.877 20 0 EHADRM Cc1nc(C)c(COC(=O)CC[C@H](NC(=O)[O-])c2ccccc2)s1 ZINC000740217847 602643554 /nfs/dbraw/zinc/64/35/54/602643554.db2.gz NGMAQTYUTSEVMT-AWEZNQCLSA-N -1 0 348.424 3.592 20 0 EHADRM CC(C)Oc1ccccc1C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000738865357 602673675 /nfs/dbraw/zinc/67/36/75/602673675.db2.gz KJBLTYFJQSSGKD-UHFFFAOYSA-N -1 0 340.379 3.767 20 0 EHADRM CC[C@@H](C)N(Cc1ccccc1)C(=O)C1CCC(NC(=O)[O-])CC1 ZINC000739243251 602675176 /nfs/dbraw/zinc/67/51/76/602675176.db2.gz FQSURVBFFYNSTH-ODIFPOPNSA-N -1 0 332.444 3.640 20 0 EHADRM CSC[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1NC(=O)[O-] ZINC000739996768 602685266 /nfs/dbraw/zinc/68/52/66/602685266.db2.gz GDJKTWQCTXEWQE-ZETCQYMHSA-N -1 0 336.335 3.733 20 0 EHADRM O=C([O-])N1CC[C@H](CCNC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000740425141 602690137 /nfs/dbraw/zinc/69/01/37/602690137.db2.gz DEJIQQLQLIALJK-VIFPVBQESA-N -1 0 346.214 3.505 20 0 EHADRM CCC[C@H](NC(=O)N1CCC([C@H](C)NC(=O)[O-])CC1)c1ccccc1 ZINC000739301321 602692890 /nfs/dbraw/zinc/69/28/90/602692890.db2.gz DNHZNGWOLVFLLH-YOEHRIQHSA-N -1 0 347.459 3.606 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)Nc1cc(OC)ccc1NC(=O)[O-] ZINC000739261338 602699596 /nfs/dbraw/zinc/69/95/96/602699596.db2.gz UULYSNPPCSDYRT-AWEZNQCLSA-N -1 0 342.395 3.993 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1NC(=O)C(C)(C)NC(=O)[O-] ZINC000738475123 602700937 /nfs/dbraw/zinc/70/09/37/602700937.db2.gz XWXZIQDNNGINOW-UHFFFAOYSA-N -1 0 328.368 3.772 20 0 EHADRM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)C1CCC(NC(=O)[O-])CC1 ZINC000740183187 602716961 /nfs/dbraw/zinc/71/69/61/602716961.db2.gz NKYXVCSTDJKWJC-HTWSVDAQSA-N -1 0 346.471 3.977 20 0 EHADRM CCC(C)(C)c1ccc(OC(=O)c2csc(CNC(=O)[O-])n2)cc1 ZINC000739219954 602727890 /nfs/dbraw/zinc/72/78/90/602727890.db2.gz RXKIYAPGKWTGGI-UHFFFAOYSA-N -1 0 348.424 3.818 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)Nc1ccc2[nH]ccc2c1)c1ccccc1 ZINC000740541102 602776886 /nfs/dbraw/zinc/77/68/86/602776886.db2.gz WHHIVOXRHVASQZ-KRWDZBQOSA-N -1 0 337.379 3.896 20 0 EHADRM Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000740243883 602784564 /nfs/dbraw/zinc/78/45/64/602784564.db2.gz QYZDPZPRNIXFGK-UHFFFAOYSA-N -1 0 348.378 3.736 20 0 EHADRM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CCC(C)(C)NC(=O)[O-] ZINC000738893338 602788967 /nfs/dbraw/zinc/78/89/67/602788967.db2.gz XZPFCBKQAZKTTN-AWEZNQCLSA-N -1 0 332.444 3.640 20 0 EHADRM CC[C@H](CC(=O)N[C@H](C)[C@H]1CCCN(C(=O)[O-])C1)c1ccc(C)cc1 ZINC000739248138 602800557 /nfs/dbraw/zinc/80/05/57/602800557.db2.gz CIJUQHYOHVLBPV-NUJGCVRESA-N -1 0 346.471 3.773 20 0 EHADRM CCSc1ccc([C@@H](C)NC(=O)CCC(C)(C)NC(=O)[O-])cc1 ZINC000739519840 602802969 /nfs/dbraw/zinc/80/29/69/602802969.db2.gz ZAMWTROCBAZQBK-GFCCVEGCSA-N -1 0 338.473 3.802 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000736522442 602818629 /nfs/dbraw/zinc/81/86/29/602818629.db2.gz FUZYAFUUONUOJM-UHFFFAOYSA-N -1 0 334.397 3.701 20 0 EHADRM COc1ccc(NC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c2ccccc2)c(C)c1 ZINC000829441409 602823822 /nfs/dbraw/zinc/82/38/22/602823822.db2.gz HRKGDLJQAURBDN-SUMWQHHRSA-N -1 0 342.395 3.587 20 0 EHADRM CC(C)(CCC(=O)Nc1ccnc(-c2ccccc2)c1)NC(=O)[O-] ZINC000738744003 602836440 /nfs/dbraw/zinc/83/64/40/602836440.db2.gz LVYNVGYBBDXKTR-UHFFFAOYSA-N -1 0 327.384 3.514 20 0 EHADRM O=C([O-])N1CCN(C(=O)c2cccc(F)c2Cl)c2ccccc2C1 ZINC000832030914 602838304 /nfs/dbraw/zinc/83/83/04/602838304.db2.gz CQXCKSKQKWFMET-UHFFFAOYSA-N -1 0 348.761 3.620 20 0 EHADRM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)C2CCC(NC(=O)[O-])CC2)C1 ZINC000740181768 602842268 /nfs/dbraw/zinc/84/22/68/602842268.db2.gz SPAOXUMPXGGSTJ-GYXIZQIFSA-N -1 0 344.455 3.526 20 0 EHADRM CC(C)CC[C@H](NC(=O)N1CCC[C@@H](CNC(=O)[O-])C1)C(C)(C)C ZINC000738820984 602842753 /nfs/dbraw/zinc/84/27/53/602842753.db2.gz TUXMVYCTNKFNKX-GJZGRUSLSA-N -1 0 341.496 3.527 20 0 EHADRM CCC[C@H](CC1CCCC1)C(=O)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000739308880 602849385 /nfs/dbraw/zinc/84/93/85/602849385.db2.gz ZRHHVTTWHQNEMG-WMLDXEAASA-N -1 0 338.492 3.878 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)[C@@H]2CCSc3ccccc32)c1 ZINC000740674463 602900448 /nfs/dbraw/zinc/90/04/48/602900448.db2.gz QVSNWYUGGDIEDL-OAHLLOKOSA-N -1 0 342.420 3.672 20 0 EHADRM CCCCCc1ccc(NC(=O)N2CC[C@H](NC(=O)[O-])[C@H](C)C2)cc1 ZINC000739327683 602910354 /nfs/dbraw/zinc/91/03/54/602910354.db2.gz WKPVCPLXDVRNGJ-PBHICJAKSA-N -1 0 347.459 3.929 20 0 EHADRM CC[C@@H](NC(=O)C[C@@H]1CCCN1C(=O)[O-])c1ccc(Cl)s1 ZINC000826598964 602938233 /nfs/dbraw/zinc/93/82/33/602938233.db2.gz AZTBYKFZUGUJDG-VHSXEESVSA-N -1 0 330.837 3.501 20 0 EHADRM CC[C@@H](NC(=O)C[C@H]1CCCN1C(=O)[O-])c1ccc(Cl)s1 ZINC000826598956 602938328 /nfs/dbraw/zinc/93/83/28/602938328.db2.gz AZTBYKFZUGUJDG-NXEZZACHSA-N -1 0 330.837 3.501 20 0 EHADRM C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)CC(C)(C)NC(=O)[O-] ZINC000739055588 602950020 /nfs/dbraw/zinc/95/00/20/602950020.db2.gz GEEJZUDPIAYBIB-SNVBAGLBSA-N -1 0 346.349 3.661 20 0 EHADRM COc1ccc(NC(=O)[C@@H](C)c2cccc(C)c2)cc1NC(=O)[O-] ZINC000739913995 602954789 /nfs/dbraw/zinc/95/47/89/602954789.db2.gz AGZIOINCBJQCJB-LBPRGKRZSA-N -1 0 328.368 3.836 20 0 EHADRM C[C@H](Oc1cccc(Cl)c1)C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000737725070 602958985 /nfs/dbraw/zinc/95/89/85/602958985.db2.gz BFICWGYJDOPENX-JTQLQIEISA-N -1 0 335.743 3.803 20 0 EHADRM CCc1ccc(CCNC(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1 ZINC000827582907 602964056 /nfs/dbraw/zinc/96/40/56/602964056.db2.gz CMRWUDVCNKMCEU-UHFFFAOYSA-N -1 0 326.396 3.620 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)c2sccc2OC(F)F)cc1 ZINC000738669866 602966005 /nfs/dbraw/zinc/96/60/05/602966005.db2.gz VGAOMMNMQARZNV-UHFFFAOYSA-N -1 0 329.280 3.659 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)CC(C)(C)NC(=O)[O-] ZINC000739516482 602988480 /nfs/dbraw/zinc/98/84/80/602988480.db2.gz DREAUTUKURXERK-UHFFFAOYSA-N -1 0 330.837 3.827 20 0 EHADRM CC(C)n1ncc2cc(NC(=O)c3cccc(NC(=O)[O-])c3)ccc21 ZINC000736539211 602990014 /nfs/dbraw/zinc/99/00/14/602990014.db2.gz BSLLNDVHLDAFEF-UHFFFAOYSA-N -1 0 338.367 3.959 20 0 EHADRM CC(C)c1cnc(NC(=O)[C@@H](C)[C@H](NC(=O)[O-])c2ccccc2)s1 ZINC000824476002 603010316 /nfs/dbraw/zinc/01/03/16/603010316.db2.gz FMGGMPQPOMVSEO-FZMZJTMJSA-N -1 0 347.440 3.850 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc([C@H]2C[C@@H]2c2cccc(Cl)c2)n1 ZINC000738906631 603016081 /nfs/dbraw/zinc/01/60/81/603016081.db2.gz JILNZNBLTLEBCN-WQAKAFBOSA-N -1 0 335.791 3.707 20 0 EHADRM CSc1ccc(Cl)c(-c2nc([C@H](C)CN(C)C(=O)[O-])no2)c1 ZINC000740015476 603018114 /nfs/dbraw/zinc/01/81/14/603018114.db2.gz AUWOCFAZUNCACI-MRVPVSSYSA-N -1 0 341.820 3.825 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000740572762 603018258 /nfs/dbraw/zinc/01/82/58/603018258.db2.gz RRQUVPBOSBCBRL-IAGOWNOFSA-N -1 0 339.395 3.805 20 0 EHADRM C[C@@H](CN(C)C(=O)[O-])c1noc(/C=C\c2ccc(Cl)s2)n1 ZINC000738911721 603020604 /nfs/dbraw/zinc/02/06/04/603020604.db2.gz WZTKGOISLXKIES-HORMHSFOSA-N -1 0 327.793 3.668 20 0 EHADRM Cn1cccc1[C@@H]1CCCN1C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000740295888 603033064 /nfs/dbraw/zinc/03/30/64/603033064.db2.gz TXSQMHXQJLBMMD-HNNXBMFYSA-N -1 0 346.362 3.623 20 0 EHADRM CSc1ccc(CNC(=O)Nc2cc(NC(=O)[O-])ccc2F)cc1 ZINC000740015998 603033131 /nfs/dbraw/zinc/03/31/31/603033131.db2.gz JQKZDNDTWFVXSK-UHFFFAOYSA-N -1 0 349.387 3.959 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)NCc2cc3ccccc3[nH]2)c1 ZINC000740703602 603036557 /nfs/dbraw/zinc/03/65/57/603036557.db2.gz BYFFXDNZVXVGHE-UHFFFAOYSA-N -1 0 342.330 3.719 20 0 EHADRM Cc1ccc(CCNC(=O)Nc2cc(NC(=O)[O-])ccc2F)cc1 ZINC000740125785 603038001 /nfs/dbraw/zinc/03/80/01/603038001.db2.gz XCVMLIQNOQSOJM-UHFFFAOYSA-N -1 0 331.347 3.588 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000740707087 603042152 /nfs/dbraw/zinc/04/21/52/603042152.db2.gz MJXAJUWVAJPDNV-ZDUSSCGKSA-N -1 0 333.319 3.878 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)c2cc(-c3ccccc3)on2)cc1 ZINC000827914398 603043118 /nfs/dbraw/zinc/04/31/18/603043118.db2.gz RHYABBGYQVFXEQ-UHFFFAOYSA-N -1 0 338.319 3.675 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)cc1 ZINC000827898988 603047666 /nfs/dbraw/zinc/04/76/66/603047666.db2.gz BUOLMRGVEPQTMS-ZFWWWQNUSA-N -1 0 347.317 3.788 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)C2(c3ccccc3F)CC2)cc1 ZINC000827901118 603054259 /nfs/dbraw/zinc/05/42/59/603054259.db2.gz VMNHTIWBQDCDCJ-UHFFFAOYSA-N -1 0 329.327 3.577 20 0 EHADRM Cc1cccc([C@@H]2CCCCN2C(=O)C2CCN(C(=O)[O-])CC2)c1C ZINC000830492211 603098103 /nfs/dbraw/zinc/09/81/03/603098103.db2.gz HMQWRVMWOXJEMB-SFHVURJKSA-N -1 0 344.455 3.747 20 0 EHADRM CC(C)[C@H](C)N(CC(F)(F)F)C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736355585 603100463 /nfs/dbraw/zinc/10/04/63/603100463.db2.gz OZGMGXUWLWJLHP-JTQLQIEISA-N -1 0 332.322 3.826 20 0 EHADRM Cc1cccc(C)c1NC(=O)CNc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000740166136 603105961 /nfs/dbraw/zinc/10/59/61/603105961.db2.gz KTUUORAZNMYBHT-CQSZACIVSA-N -1 0 341.411 3.683 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CCC[C@]3(CC=CCC3)C2)ccc1F ZINC000740692734 603135230 /nfs/dbraw/zinc/13/52/30/603135230.db2.gz GARIQTHXIGNUEQ-GOSISDBHSA-N -1 0 332.375 3.878 20 0 EHADRM CC[C@H]1CCCCCN1C(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000739273686 603141893 /nfs/dbraw/zinc/14/18/93/603141893.db2.gz UXNCZQPKVLMZKA-INIZCTEOSA-N -1 0 333.432 3.983 20 0 EHADRM Cc1ccccc1[C@H](C)NC(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000740182861 603142260 /nfs/dbraw/zinc/14/22/60/603142260.db2.gz JFJBNHYQYSYAER-AWEZNQCLSA-N -1 0 341.411 3.988 20 0 EHADRM CSc1ccc(NC(=O)[C@H](C)Oc2ccc(NC(=O)[O-])cc2)cc1 ZINC000829766926 603157246 /nfs/dbraw/zinc/15/72/46/603157246.db2.gz UWLCBYJBPJOAKY-NSHDSACASA-N -1 0 346.408 3.904 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)Nc2ncc(-c3ccccc3)s2)C1 ZINC000740561408 603168489 /nfs/dbraw/zinc/16/84/89/603168489.db2.gz CNPCPLKAKMHZNK-CHWSQXEVSA-N -1 0 345.424 3.575 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)CSc2ccccc2)cc1 ZINC000825421550 603171029 /nfs/dbraw/zinc/17/10/29/603171029.db2.gz AFYLHLOZVYYMTF-LBPRGKRZSA-N -1 0 330.409 3.746 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2cc(C(C)(C)C)on2)cc1 ZINC000825443108 603173325 /nfs/dbraw/zinc/17/33/25/603173325.db2.gz XYSDUNRWCUTLCG-JTQLQIEISA-N -1 0 331.372 3.553 20 0 EHADRM CCN(C(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1)[C@@H](C)c1ccc(F)cc1 ZINC000739378397 603174313 /nfs/dbraw/zinc/17/43/13/603174313.db2.gz UDUYLWLBHXBCSK-BJJXKVORSA-N -1 0 336.407 3.562 20 0 EHADRM C[C@@H](Oc1cccc(F)c1)C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000825617505 603175460 /nfs/dbraw/zinc/17/54/60/603175460.db2.gz QGRTXBCIOABBHI-NWDGAFQWSA-N -1 0 346.358 3.560 20 0 EHADRM COc1ccc(CCC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1 ZINC000829340564 603176046 /nfs/dbraw/zinc/17/60/46/603176046.db2.gz GZAYAZFGDJQYKE-CYBMUJFWSA-N -1 0 342.395 3.595 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1)c1cccs1 ZINC000738806125 603178937 /nfs/dbraw/zinc/17/89/37/603178937.db2.gz CIOBGLQEDBZMJZ-MJBXVCDLSA-N -1 0 338.473 3.778 20 0 EHADRM O=C([O-])N1CCc2c(cccc2NC(=O)Cc2ccc(Cl)cc2)C1 ZINC000740391554 603180057 /nfs/dbraw/zinc/18/00/57/603180057.db2.gz ZCLYFPQEBTYMLA-UHFFFAOYSA-N -1 0 344.798 3.557 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1 ZINC000825414963 603182734 /nfs/dbraw/zinc/18/27/34/603182734.db2.gz CODWRTGQMDNQPG-MZPVMMEZSA-N -1 0 342.370 3.897 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)CCc2ccccc2F)cc1 ZINC000825416382 603184654 /nfs/dbraw/zinc/18/46/54/603184654.db2.gz KCWOVRJAQASORT-LBPRGKRZSA-N -1 0 330.359 3.726 20 0 EHADRM Cc1cccc(CCC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)c1 ZINC000830491347 603192749 /nfs/dbraw/zinc/19/27/49/603192749.db2.gz BMGCIQHNTFWQEB-CQSZACIVSA-N -1 0 326.396 3.895 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)[C@H](C)Oc2ccccc2F)cc1 ZINC000825619541 603195787 /nfs/dbraw/zinc/19/57/87/603195787.db2.gz ZZBKDPKEHSVZIS-NEPJUHHUSA-N -1 0 346.358 3.560 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)cc1 ZINC000738664450 603196256 /nfs/dbraw/zinc/19/62/56/603196256.db2.gz OVPZJYVKLFRFJR-JSGCOSHPSA-N -1 0 332.306 3.797 20 0 EHADRM Cc1cc(C(F)(F)F)c(Nc2ccc([C@H](C)NC(=O)[O-])cc2)nn1 ZINC000829981234 603205431 /nfs/dbraw/zinc/20/54/31/603205431.db2.gz WCRFUEDNLJKUBA-VIFPVBQESA-N -1 0 340.305 3.876 20 0 EHADRM CC(C)[C@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2Cl)CCS1 ZINC000824164140 603205841 /nfs/dbraw/zinc/20/58/41/603205841.db2.gz GMTBBLDKZXJCDR-CYBMUJFWSA-N -1 0 342.848 3.644 20 0 EHADRM C[C@@H](C(=O)Nc1ccccc1Cl)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823725021 603211221 /nfs/dbraw/zinc/21/12/21/603211221.db2.gz WAIAXZZGRAXNNK-ABAIWWIYSA-N -1 0 332.787 3.924 20 0 EHADRM C[C@H](C(=O)Nc1ccc(F)c(F)c1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823716057 603216282 /nfs/dbraw/zinc/21/62/82/603216282.db2.gz WGVVXULLVCRZBQ-ZUZCIYMTSA-N -1 0 334.322 3.548 20 0 EHADRM C[C@@H](C(=O)Nc1cccc2ncccc21)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823723466 603224874 /nfs/dbraw/zinc/22/48/74/603224874.db2.gz KWWZMWQVIMEZSU-ACJLOTCBSA-N -1 0 349.390 3.818 20 0 EHADRM CC(C)N(Cc1ccccn1)C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000738852963 603226244 /nfs/dbraw/zinc/22/62/44/603226244.db2.gz MTNPYVKDVLTJKR-UHFFFAOYSA-N -1 0 347.802 3.876 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2)c(Cl)c1 ZINC000740698435 603231074 /nfs/dbraw/zinc/23/10/74/603231074.db2.gz LFJXJAAJGQFRFJ-DZGCQCFKSA-N -1 0 330.771 3.716 20 0 EHADRM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)C2CCN(C(=O)[O-])CC2)o1 ZINC000827585110 603232442 /nfs/dbraw/zinc/23/24/42/603232442.db2.gz ZRAVKVYYJIAUOB-XJKSGUPXSA-N -1 0 348.443 3.532 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)Nc2ccc(N(C)C)cc2)cc1 ZINC000825443127 603245066 /nfs/dbraw/zinc/24/50/66/603245066.db2.gz YIZCWQAVNSZHKK-LBPRGKRZSA-N -1 0 342.399 3.725 20 0 EHADRM CC(C)c1ccccc1NC(=O)NC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000824476158 603249262 /nfs/dbraw/zinc/24/92/62/603249262.db2.gz GSTWESMOLYHGGY-QGZVFWFLSA-N -1 0 341.411 3.940 20 0 EHADRM Cc1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1NC(=O)[O-] ZINC000830234607 603253641 /nfs/dbraw/zinc/25/36/41/603253641.db2.gz WKSSKLKKRNHLRZ-UHFFFAOYSA-N -1 0 331.397 3.673 20 0 EHADRM CCc1cccc(CC)c1NC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000827596277 603253650 /nfs/dbraw/zinc/25/36/50/603253650.db2.gz UNRZNLQTXZHYLQ-MQVJKMGUSA-N -1 0 345.443 3.606 20 0 EHADRM Cc1ccc(F)c(NC(=O)[C@H](C)[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000830329135 603255877 /nfs/dbraw/zinc/25/58/77/603255877.db2.gz MYOJRXZGZRPMAD-WBMJQRKESA-N -1 0 330.359 3.718 20 0 EHADRM CC(C)(CC(=O)Nc1nc2ccccc2n1C1CCCC1)NC(=O)[O-] ZINC000738737997 603260900 /nfs/dbraw/zinc/26/09/00/603260900.db2.gz IIKVHGQUOOWQCW-UHFFFAOYSA-N -1 0 344.415 3.526 20 0 EHADRM CCO[C@@H]1C[C@H](N(C)C(=O)c2cccc(NC(=O)[O-])c2)C12CCCC2 ZINC000737158894 603260975 /nfs/dbraw/zinc/26/09/75/603260975.db2.gz USQZWYIIXMDGGK-JKSUJKDBSA-N -1 0 346.427 3.586 20 0 EHADRM Cc1ccc(NC(=O)[C@@H](NC(=O)[O-])c2cccc(Cl)c2)c(C)c1 ZINC000740137508 603262710 /nfs/dbraw/zinc/26/27/10/603262710.db2.gz ZWDQHBYSIAWHSC-HNNXBMFYSA-N -1 0 332.787 3.904 20 0 EHADRM CO[C@@H](CNC(=O)c1ccc(NC(=O)[O-])cc1Cl)c1ccccc1 ZINC000739795328 603272826 /nfs/dbraw/zinc/27/28/26/603272826.db2.gz FCNYNZIMESYNMW-HNNXBMFYSA-N -1 0 348.786 3.547 20 0 EHADRM CC(=O)Nc1cccc(NC(=O)c2ccc(C)c(NC(=O)[O-])c2)c1C ZINC000823624048 603288644 /nfs/dbraw/zinc/28/86/44/603288644.db2.gz YEXRCYDNECYUKE-UHFFFAOYSA-N -1 0 341.367 3.604 20 0 EHADRM Cc1cccc(C(=O)N(c2ccc(CNC(=O)[O-])cc2C)C2CC2)c1 ZINC000740154797 603297647 /nfs/dbraw/zinc/29/76/47/603297647.db2.gz GVUVUWRQSUNOSJ-UHFFFAOYSA-N -1 0 338.407 3.880 20 0 EHADRM Cc1ccc(C(=O)N(c2ccc(CNC(=O)[O-])cc2C)C2CC2)cc1 ZINC000740104298 603297652 /nfs/dbraw/zinc/29/76/52/603297652.db2.gz CCCLIWRUCOGJMQ-UHFFFAOYSA-N -1 0 338.407 3.880 20 0 EHADRM O=C([O-])N1CCCN(C(=O)c2ccc(Cl)cc2)c2ccccc21 ZINC000740515895 603298907 /nfs/dbraw/zinc/29/89/07/603298907.db2.gz NZKGKKDVVKERHO-UHFFFAOYSA-N -1 0 330.771 3.875 20 0 EHADRM C[C@@H](CC(=O)N(C)[C@@H](C)c1ccc(Cl)c(Cl)c1)NC(=O)[O-] ZINC000824549688 603302183 /nfs/dbraw/zinc/30/21/83/603302183.db2.gz BYVBOJBHPKNIAH-IUCAKERBSA-N -1 0 333.215 3.559 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NC2CCC(NC(=O)[O-])CC2)cc1 ZINC000738882186 603319418 /nfs/dbraw/zinc/31/94/18/603319418.db2.gz JVZBHRFOGKTKCB-FOIPXRHGSA-N -1 0 344.455 3.609 20 0 EHADRM CC(C)c1ccc([C@H]2C[C@H]2C(=O)NC2CCC(NC(=O)[O-])CC2)cc1 ZINC000738882188 603319650 /nfs/dbraw/zinc/31/96/50/603319650.db2.gz JVZBHRFOGKTKCB-OPQOLIRYSA-N -1 0 344.455 3.609 20 0 EHADRM CN(Cc1ccccc1NC(=O)N(C)CC1CCCCC1)C(=O)[O-] ZINC000739716550 603336357 /nfs/dbraw/zinc/33/63/57/603336357.db2.gz XBLUSBDPDGBSQW-UHFFFAOYSA-N -1 0 333.432 3.840 20 0 EHADRM CC(C)c1cccc(NC(=S)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])c1 ZINC000738875159 603376141 /nfs/dbraw/zinc/37/61/41/603376141.db2.gz BIKYCWRJIQFRHH-UKRRQHHQSA-N -1 0 335.473 3.533 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N(C)[C@@H](C)c2cccnc2)cc1 ZINC000825423805 603376191 /nfs/dbraw/zinc/37/61/91/603376191.db2.gz VHCSGEIMLYXDEM-STQMWFEESA-N -1 0 342.399 3.635 20 0 EHADRM C[C@H](C1CC1)N(C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1)C1CC1 ZINC000825423593 603379984 /nfs/dbraw/zinc/37/99/84/603379984.db2.gz SGSSCEJXQXLQRZ-NWDGAFQWSA-N -1 0 331.416 3.810 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N2CCC3(CCCC3)C2)cc1 ZINC000825427033 603384258 /nfs/dbraw/zinc/38/42/58/603384258.db2.gz NROIQPYENAQMEF-ZDUSSCGKSA-N -1 0 331.416 3.813 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000739085005 603393077 /nfs/dbraw/zinc/39/30/77/603393077.db2.gz SMXCSIKHWJEJRQ-WMLDXEAASA-N -1 0 338.407 3.724 20 0 EHADRM Cc1c2ccccc2oc1CNC(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000740048564 603393610 /nfs/dbraw/zinc/39/36/10/603393610.db2.gz LNMOERVGFRUPAO-UHFFFAOYSA-N -1 0 338.363 3.690 20 0 EHADRM C[C@@H](c1nc(-c2ccc(F)cc2)no1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000825644560 603406545 /nfs/dbraw/zinc/40/65/45/603406545.db2.gz GVNLBHWSQRTFNO-ABAIWWIYSA-N -1 0 341.342 3.988 20 0 EHADRM CC(C)(C)c1cc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])no1 ZINC000738731949 603413282 /nfs/dbraw/zinc/41/32/82/603413282.db2.gz UVUMMFMVBVTQOK-UHFFFAOYSA-N -1 0 343.383 3.655 20 0 EHADRM C[C@@H](C(=O)NC(C)(C)c1ccccc1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823677742 603418977 /nfs/dbraw/zinc/41/89/77/603418977.db2.gz NFZVMZAYMACWEQ-PBHICJAKSA-N -1 0 340.423 3.683 20 0 EHADRM CC(C)[C@H](CC1CCCCC1)C(=O)N1CCC(CNC(=O)[O-])CC1 ZINC000738776514 603428364 /nfs/dbraw/zinc/42/83/64/603428364.db2.gz WIVVQYIAZWCJMO-KRWDZBQOSA-N -1 0 338.492 3.735 20 0 EHADRM Cc1ccc(CC(=O)N2CCCN(C(=O)[O-])c3ccccc32)cc1C ZINC000740124137 603431853 /nfs/dbraw/zinc/43/18/53/603431853.db2.gz POSQPHALWPDYNX-UHFFFAOYSA-N -1 0 338.407 3.767 20 0 EHADRM O=C([O-])N1CCCN(C(=O)C(F)(F)c2ccccc2)c2ccccc21 ZINC000740515609 603432157 /nfs/dbraw/zinc/43/21/57/603432157.db2.gz IQGVMWSTXFKYDZ-UHFFFAOYSA-N -1 0 346.333 3.700 20 0 EHADRM O=C([O-])N1CCCN(C(=O)c2cncc3ccccc32)c2ccccc21 ZINC000740516311 603432187 /nfs/dbraw/zinc/43/21/87/603432187.db2.gz XEOKFEZVYWQMGM-UHFFFAOYSA-N -1 0 347.374 3.770 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(CNC(=O)[O-])cc2)c2ccccc2S1 ZINC000826034066 603442588 /nfs/dbraw/zinc/44/25/88/603442588.db2.gz FAPNFBCEOROUIO-GFCCVEGCSA-N -1 0 342.420 3.595 20 0 EHADRM COc1nc(C(=O)Oc2cccc(NC(=O)[O-])c2)cc2ccccc21 ZINC000829655270 603480646 /nfs/dbraw/zinc/48/06/46/603480646.db2.gz TZRNAKWWBXVSEY-UHFFFAOYSA-N -1 0 338.319 3.553 20 0 EHADRM CCCCOc1ccc(NC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)c(C)c1 ZINC000826842072 603508206 /nfs/dbraw/zinc/50/82/06/603508206.db2.gz IEZJKWTUHSMVNL-UONOGXRCSA-N -1 0 334.416 3.549 20 0 EHADRM CCN(C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)[C@@H](C)c1cc2ccccc2o1 ZINC000826970204 603513634 /nfs/dbraw/zinc/51/36/34/603513634.db2.gz OTHVKMMXOZQAIG-NWANDNLSSA-N -1 0 344.411 3.779 20 0 EHADRM O=C([O-])N1CC(CC(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)C1 ZINC000831366252 603572017 /nfs/dbraw/zinc/57/20/17/603572017.db2.gz FTOVZEVYTCOIPS-UHFFFAOYSA-N -1 0 346.333 3.570 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1)c1cc2ccccc2s1 ZINC000825083344 603579569 /nfs/dbraw/zinc/57/95/69/603579569.db2.gz PNNLQBGPVVVSNP-WCFLWFBJSA-N -1 0 332.425 3.515 20 0 EHADRM C[C@H](OC(=O)Cc1ccc(NC(=O)[O-])cc1)c1ncc(C(C)(C)C)o1 ZINC000825592054 603583390 /nfs/dbraw/zinc/58/33/90/603583390.db2.gz FSXMHPARPSPTSN-NSHDSACASA-N -1 0 346.383 3.909 20 0 EHADRM CC(C)C[C@@H]1CCN(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)C1 ZINC000824233508 603604472 /nfs/dbraw/zinc/60/44/72/603604472.db2.gz ZIQMCKHGIHJRPK-KBPBESRZSA-N -1 0 333.432 3.915 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000832253827 603633761 /nfs/dbraw/zinc/63/37/61/603633761.db2.gz HVIIQGUNJFYWHH-USXIJHARSA-N -1 0 348.418 3.610 20 0 EHADRM CC(C)CC1(C(=O)N2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)CCC1 ZINC000824223572 603649763 /nfs/dbraw/zinc/64/97/63/603649763.db2.gz GJYFSCPPZQLLCY-HZPDHXFCSA-N -1 0 336.476 3.584 20 0 EHADRM CCC[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccccc1 ZINC000826745840 603683493 /nfs/dbraw/zinc/68/34/93/603683493.db2.gz ZPCAYUYUPSYFGS-NPYXIHBLSA-N -1 0 345.443 3.500 20 0 EHADRM CC(C)Sc1ccc(Cl)cc1NC(=O)CC1CN(C(=O)[O-])C1 ZINC000824431242 603755555 /nfs/dbraw/zinc/75/55/55/603755555.db2.gz KCMVSPLMLOOJIZ-UHFFFAOYSA-N -1 0 342.848 3.779 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@H]2CCSc3ccc(F)cc32)cc1 ZINC000832832734 603780570 /nfs/dbraw/zinc/78/05/70/603780570.db2.gz BWWNQPKWTQXJAO-AWEZNQCLSA-N -1 0 346.383 3.883 20 0 EHADRM CCC[C@@](C)(NC(=O)[O-])C(=O)OCc1ncc(-c2ccc(C)cc2)o1 ZINC000826729085 603803063 /nfs/dbraw/zinc/80/30/63/603803063.db2.gz RDFFNHHXOMBUCA-GOSISDBHSA-N -1 0 346.383 3.520 20 0 EHADRM CC(C)Nc1cc(F)ccc1NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000824380779 603829721 /nfs/dbraw/zinc/82/97/21/603829721.db2.gz CFINWJKNLWLBLM-UHFFFAOYSA-N -1 0 331.347 3.988 20 0 EHADRM COc1ccc(Cl)cc1CNCc1cccc2c1N(C(=O)[O-])CC2 ZINC000829404398 603854338 /nfs/dbraw/zinc/85/43/38/603854338.db2.gz MUKZHGNYTOFWBZ-UHFFFAOYSA-N -1 0 346.814 3.679 20 0 EHADRM COc1cccc([C@H](C)Cc2nc([C@@H](CC(C)C)NC(=O)[O-])no2)c1 ZINC000829543520 603878003 /nfs/dbraw/zinc/87/80/03/603878003.db2.gz LSXSIMQKFTUDRS-IUODEOHRSA-N -1 0 347.415 3.779 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)c1nc([C@H](C)CN(C)C(=O)[O-])no1 ZINC000826631562 603880381 /nfs/dbraw/zinc/88/03/81/603880381.db2.gz KUXULPSDBKRPDB-TZMCWYRMSA-N -1 0 333.388 3.621 20 0 EHADRM Cc1ccc(C)c(NC(=O)C[C@H](Cc2ccccc2)NC(=O)[O-])c1 ZINC000830275628 603935972 /nfs/dbraw/zinc/93/59/72/603935972.db2.gz VJURTLKIFWZUSD-INIZCTEOSA-N -1 0 326.396 3.511 20 0 EHADRM Cc1ccc(C)c(NC(=O)C[C@@H](Cc2ccccc2)NC(=O)[O-])c1 ZINC000830275629 603936061 /nfs/dbraw/zinc/93/60/61/603936061.db2.gz VJURTLKIFWZUSD-MRXNPFEDSA-N -1 0 326.396 3.511 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)c1cncc2ccccc21 ZINC000831797738 603949434 /nfs/dbraw/zinc/94/94/34/603949434.db2.gz SHBJKHRJWUCRAG-UHFFFAOYSA-N -1 0 333.347 3.528 20 0 EHADRM CC[C@@H](Nc1ccccc1)C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000826618847 603951972 /nfs/dbraw/zinc/95/19/72/603951972.db2.gz GYBMUVZYNUPWQV-OAHLLOKOSA-N -1 0 339.395 3.556 20 0 EHADRM Cc1cc(C(=O)COC(=O)c2ccc(C)c(NC(=O)[O-])c2)c(C)s1 ZINC000829909405 603954863 /nfs/dbraw/zinc/95/48/63/603954863.db2.gz QXWYIFQOJVMNTL-UHFFFAOYSA-N -1 0 347.392 3.803 20 0 EHADRM CS[C@@H](C(=O)Nc1cccc2c1CCN2C(=O)[O-])c1ccccc1 ZINC000829704171 603955113 /nfs/dbraw/zinc/95/51/13/603955113.db2.gz PTTKYKVQUATQCH-MRXNPFEDSA-N -1 0 342.420 3.770 20 0 EHADRM CCc1ccccc1NC(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000827603932 603967188 /nfs/dbraw/zinc/96/71/88/603967188.db2.gz AAQCDGMTTGTTHH-UHFFFAOYSA-N -1 0 325.368 3.934 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000824404727 603983727 /nfs/dbraw/zinc/98/37/27/603983727.db2.gz MADWDNNJONBIDL-GHMZBOCLSA-N -1 0 340.807 3.502 20 0 EHADRM C[C@@H]1CCN(C(=O)Cc2ccc(NC(=O)[O-])cc2)[C@H](c2ccco2)C1 ZINC000825938144 604024629 /nfs/dbraw/zinc/02/46/29/604024629.db2.gz MFRCOCXCSYKBNN-CJNGLKHVSA-N -1 0 342.395 3.912 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CCCc3c(F)cccc32)ccc1F ZINC000832818042 604029868 /nfs/dbraw/zinc/02/98/68/604029868.db2.gz RNZDMXHAUQCRQD-UHFFFAOYSA-N -1 0 332.306 3.648 20 0 EHADRM CN(C[C@H]1CCCN1Cc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000828230519 604109225 /nfs/dbraw/zinc/10/92/25/604109225.db2.gz QNFQLZLLDGOHCX-CQSZACIVSA-N -1 0 349.818 3.569 20 0 EHADRM CC(C)c1ccccc1NC(=O)N(C)C1CCC(NC(=O)[O-])CC1 ZINC000824475893 604118566 /nfs/dbraw/zinc/11/85/66/604118566.db2.gz CFCYVSBQORNSCW-UHFFFAOYSA-N -1 0 333.432 3.853 20 0 EHADRM O=C([O-])N1CCc2ccc(NC(=O)N3CCC[C@H]4CCC[C@@H]43)cc2C1 ZINC000832079037 604138284 /nfs/dbraw/zinc/13/82/84/604138284.db2.gz BTNHZPXDTSUJQU-PBHICJAKSA-N -1 0 343.427 3.519 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N[C@@H]2CCCc3[nH]ccc32)cc1 ZINC000825427008 604147431 /nfs/dbraw/zinc/14/74/31/604147431.db2.gz NLDOUKZECXNIGK-MEDUHNTESA-N -1 0 342.399 3.542 20 0 EHADRM O=C([O-])Nc1ccc(C(F)(F)F)cc1NC(=O)C[C@H]1CCCCO1 ZINC000832839371 604174168 /nfs/dbraw/zinc/17/41/68/604174168.db2.gz VZRXKAQGGZBAFZ-SNVBAGLBSA-N -1 0 346.305 3.693 20 0 EHADRM C[C@H](c1ccccc1)N(C)C(=O)CNc1cc(NC(=O)[O-])ccc1F ZINC000825638285 604215801 /nfs/dbraw/zinc/21/58/01/604215801.db2.gz MCIPWDNRQSICBC-GFCCVEGCSA-N -1 0 345.374 3.547 20 0 EHADRM C[C@H](OC(=O)c1ccc(CNC(=O)[O-])o1)c1nc2ccccc2s1 ZINC000825601944 604230295 /nfs/dbraw/zinc/23/02/95/604230295.db2.gz FDVIMLAXJIBDOA-VIFPVBQESA-N -1 0 346.364 3.575 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)NCc1ccc(-c2ccc(Cl)cc2)cc1F ZINC000827296463 604274950 /nfs/dbraw/zinc/27/49/50/604274950.db2.gz UMBUOTPDFNVRTR-LLVKDONJSA-N -1 0 349.789 3.873 20 0 EHADRM C[C@H](CC(=O)N(C)[C@H]1CCc2ccccc21)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824550470 604297609 /nfs/dbraw/zinc/29/76/09/604297609.db2.gz GOYHRRZAFJNKEA-HFTRVMKXSA-N -1 0 344.455 3.549 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NCc2ccn(C3CCCC3)n2)cc1 ZINC000825448031 604299566 /nfs/dbraw/zinc/29/95/66/604299566.db2.gz AGEUXRLIFTWSSH-CYBMUJFWSA-N -1 0 328.416 3.939 20 0 EHADRM O=C([O-])N1CCc2ccc(NCc3ccn(C4CCCC4)n3)cc2C1 ZINC000832079512 604300223 /nfs/dbraw/zinc/30/02/23/604300223.db2.gz JZNAWDIAKRRKRW-UHFFFAOYSA-N -1 0 340.427 3.646 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1ccc2cnn(C(C)C)c2c1 ZINC000738169401 604301823 /nfs/dbraw/zinc/30/18/23/604301823.db2.gz YYBQOGGTYWTBDD-UHFFFAOYSA-N -1 0 340.383 3.513 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@@H]1CCCCc2ccccc21 ZINC000738164886 604301924 /nfs/dbraw/zinc/30/19/24/604301924.db2.gz ZVWPPBWHJHXDPC-OAHLLOKOSA-N -1 0 326.396 3.527 20 0 EHADRM O=C([O-])c1csc(NC(=O)CCC(=O)c2ccc(Cl)cc2)c1 ZINC000833096246 604316551 /nfs/dbraw/zinc/31/65/51/604316551.db2.gz JKOSFLMXALRJKC-UHFFFAOYSA-N -1 0 337.784 3.701 20 0 EHADRM Cc1cc(F)cc2c1N(C(=O)c1ccc(C(=O)[O-])c(F)c1)CCC2 ZINC000832889238 604318983 /nfs/dbraw/zinc/31/89/83/604318983.db2.gz GBYLFRNAHFGJPY-UHFFFAOYSA-N -1 0 331.318 3.564 20 0 EHADRM CC[C@H](c1ccncc1)N(CC)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000829033026 604319867 /nfs/dbraw/zinc/31/98/67/604319867.db2.gz HBAAADNITRYYTE-MRXNPFEDSA-N -1 0 330.359 3.532 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(F)cc2OCC2CC2)cc1F ZINC000833156256 604321630 /nfs/dbraw/zinc/32/16/30/604321630.db2.gz DZALHEFJTBVITL-UHFFFAOYSA-N -1 0 347.317 3.704 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(CNc2ncnc3ccsc32)cc1 ZINC000825403241 604345802 /nfs/dbraw/zinc/34/58/02/604345802.db2.gz VUKIHKYPLXIPCO-JTQLQIEISA-N -1 0 328.397 3.632 20 0 EHADRM Cc1cc(NCc2ccc([C@H](C)NC(=O)[O-])cc2)nc(C2CC2)n1 ZINC000830121617 604346434 /nfs/dbraw/zinc/34/64/34/604346434.db2.gz FYKCCLGTZWYONB-LBPRGKRZSA-N -1 0 326.400 3.603 20 0 EHADRM COc1ccc(CNC(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1Cl ZINC000832336470 604351688 /nfs/dbraw/zinc/35/16/88/604351688.db2.gz SMHLZCZMULUBAX-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)C[C@@H](C)[C@H]2CCCN(C(=O)[O-])C2)o1 ZINC000830283517 604356917 /nfs/dbraw/zinc/35/69/17/604356917.db2.gz WYAPLHAYCGCROY-KBMXLJTQSA-N -1 0 348.443 3.668 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)/C=C\c1ccsc1)c1ccccc1 ZINC000826091105 604372633 /nfs/dbraw/zinc/37/26/33/604372633.db2.gz ZWFSLFJXQBYEFK-QWGSZXSUSA-N -1 0 329.421 3.730 20 0 EHADRM COc1ccc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c(C)c1 ZINC000832169869 604380331 /nfs/dbraw/zinc/38/03/31/604380331.db2.gz UPTZOJMRWSBIBK-KRWDZBQOSA-N -1 0 341.407 3.586 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)CCc1ccccc1F)c1ccccc1 ZINC000826088810 604380943 /nfs/dbraw/zinc/38/09/43/604380943.db2.gz BYIBOPXLXGRQSQ-GOSISDBHSA-N -1 0 343.398 3.727 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1ccc(F)cc1F)c1ccccc1 ZINC000826102830 604383128 /nfs/dbraw/zinc/38/31/28/604383128.db2.gz JLEQRXCWYJWRGW-HNNXBMFYSA-N -1 0 333.334 3.547 20 0 EHADRM CC(=O)c1ccc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])s1 ZINC000825946811 604389259 /nfs/dbraw/zinc/38/92/59/604389259.db2.gz RCDHJVSMBYRHNO-OAHLLOKOSA-N -1 0 345.420 3.533 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)O[C@@H]2CCc3sc(Cl)cc32)C1 ZINC000833190027 604415522 /nfs/dbraw/zinc/41/55/22/604415522.db2.gz VQZKPJLIGLYUKF-FXPVBKGRSA-N -1 0 328.817 3.823 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@@H](C)Oc1ccccc1 ZINC000829020966 604428791 /nfs/dbraw/zinc/42/87/91/604428791.db2.gz ODSKDKREWVNFSX-CRAIPNDOSA-N -1 0 341.407 3.518 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)N1CCc2cc(-c3ccccc3)ccc21 ZINC000826705093 604429095 /nfs/dbraw/zinc/42/90/95/604429095.db2.gz CJFMTTIWQCNGQA-SFHVURJKSA-N -1 0 338.407 3.535 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)Cc2cccc(Cl)c2)cc1 ZINC000825378202 604447748 /nfs/dbraw/zinc/44/77/48/604447748.db2.gz SNPQHYFKMFXGIY-LBPRGKRZSA-N -1 0 346.814 3.528 20 0 EHADRM CN(Cc1csc(Cc2ccccc2)n1)C1(C(=O)[O-])CCCC1 ZINC000577296908 604460632 /nfs/dbraw/zinc/46/06/32/604460632.db2.gz SBJSRBHIDLYVBG-UHFFFAOYSA-N -1 0 330.453 3.563 20 0 EHADRM CC(C)c1ccc(-c2noc(CN(C)C3(C(=O)[O-])CCCC3)n2)cc1 ZINC000827113245 604461077 /nfs/dbraw/zinc/46/10/77/604461077.db2.gz YZMWDISQRHKDHY-UHFFFAOYSA-N -1 0 343.427 3.689 20 0 EHADRM CC(C)[C@@H](NC(=O)N1CCC[C@H]1CC(=O)[O-])c1ccc(Cl)cc1 ZINC000826698893 604479952 /nfs/dbraw/zinc/47/99/52/604479952.db2.gz ASODWSXUUUFYTR-GOEBONIOSA-N -1 0 338.835 3.686 20 0 EHADRM C[C@@H]1CSc2ccccc2N(C(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000833633058 604485127 /nfs/dbraw/zinc/48/51/27/604485127.db2.gz RVJJLIIWOHJCPP-LBPRGKRZSA-N -1 0 327.405 3.773 20 0 EHADRM CC(C)CCc1nc(COC(=O)Cc2ccccc2C(=O)[O-])cs1 ZINC000833483527 604494047 /nfs/dbraw/zinc/49/40/47/604494047.db2.gz ALEDHNODIBRHSO-UHFFFAOYSA-N -1 0 347.436 3.716 20 0 EHADRM COc1ccc(CC[C@H](C)NC(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000832292901 604500134 /nfs/dbraw/zinc/50/01/34/604500134.db2.gz USZOJSGAPDHMJH-NSHDSACASA-N -1 0 348.424 3.598 20 0 EHADRM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000828151666 604509302 /nfs/dbraw/zinc/50/93/02/604509302.db2.gz XXGIEQPTGSOCLR-RISCZKNCSA-N -1 0 330.409 3.856 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000826249461 607700508 /nfs/dbraw/zinc/70/05/08/607700508.db2.gz DRHOFRMCLZELRI-UHFFFAOYSA-N -1 0 335.411 3.859 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)N1CCC[C@H]2CCC[C@H]21)c1ccccc1 ZINC000826096542 604524474 /nfs/dbraw/zinc/52/44/74/604524474.db2.gz WYCRBWIOTJWNOA-DJIMGWMZSA-N -1 0 344.455 3.813 20 0 EHADRM C[C@@H]1CCCN(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])[C@H]1C ZINC000828266122 604529973 /nfs/dbraw/zinc/52/99/73/604529973.db2.gz PNPCBFPJPDNJKS-IJEWVQPXSA-N -1 0 332.444 3.669 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cn1 ZINC000827118359 604544549 /nfs/dbraw/zinc/54/45/49/604544549.db2.gz SVEODZQLGJDERZ-UHFFFAOYSA-N -1 0 327.384 3.567 20 0 EHADRM Cc1cc([C@H](C)OC(=O)COc2c(C)cccc2C)oc1C(=O)[O-] ZINC000832872766 604548427 /nfs/dbraw/zinc/54/84/27/604548427.db2.gz VTQFLMHYWVZFOA-ZDUSSCGKSA-N -1 0 332.352 3.586 20 0 EHADRM CC(C)[C@@H](C(=O)N1C[C@H](C(=O)[O-])c2ccccc21)c1ccc(F)cc1 ZINC000833466951 604556230 /nfs/dbraw/zinc/55/62/30/604556230.db2.gz PNPIEKIIQFGQLP-FUHWJXTLSA-N -1 0 341.382 3.780 20 0 EHADRM CC1=CCN(c2cc(C(=O)[O-])nc3ccc(Br)cc32)CC1 ZINC000833583757 604560626 /nfs/dbraw/zinc/56/06/26/604560626.db2.gz KSVHWRDQFDSPNS-UHFFFAOYSA-N -1 0 347.212 3.852 20 0 EHADRM C/C(=C/C(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccccc1C(F)(F)F ZINC000825716291 604564532 /nfs/dbraw/zinc/56/45/32/604564532.db2.gz BOPYJUFASXOJBJ-UCQJPZFISA-N -1 0 341.329 3.574 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@@H]2CC(=O)[O-])sc1-c1ccc(F)cc1 ZINC000263071925 604564824 /nfs/dbraw/zinc/56/48/24/604564824.db2.gz YJAWNJDTZZKBKM-CQSZACIVSA-N -1 0 347.411 3.942 20 0 EHADRM CSc1cc(C(=O)N2CCC[C@H]2CC(=O)[O-])c(Cl)cc1Cl ZINC000262953936 604574390 /nfs/dbraw/zinc/57/43/90/604574390.db2.gz NBWPKBMCWYWBRF-QMMMGPOBSA-N -1 0 348.251 3.795 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)C1(c2cccc(Cl)c2)CCCC1 ZINC000262952846 604578387 /nfs/dbraw/zinc/57/83/87/604578387.db2.gz MYRUIRLQTGCWPW-OAHLLOKOSA-N -1 0 335.831 3.618 20 0 EHADRM Cc1cccc2sc(C(=O)N3CCC[C@@H]3CC(=O)[O-])c(Cl)c21 ZINC000653646714 604582980 /nfs/dbraw/zinc/58/29/80/604582980.db2.gz XJAMAJNFKHINSY-SNVBAGLBSA-N -1 0 337.828 3.942 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2cc(Cl)nc(Cl)c2)oc1C(=O)[O-] ZINC000832877400 604586482 /nfs/dbraw/zinc/58/64/82/604586482.db2.gz YHNBCAIURFVOAO-ZETCQYMHSA-N -1 0 344.150 3.906 20 0 EHADRM Cc1cc([C@H](C)OC(=O)[C@H]2C[C@]23CCc2ccccc23)oc1C(=O)[O-] ZINC000832878962 604594147 /nfs/dbraw/zinc/59/41/47/604594147.db2.gz ZOFXYBBKECNNSI-VHPWJVAPSA-N -1 0 340.375 3.795 20 0 EHADRM CN(c1ccccc1)c1ccccc1C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000455886065 604598798 /nfs/dbraw/zinc/59/87/98/604598798.db2.gz YETJVVGKVCSUEF-INIZCTEOSA-N -1 0 338.407 3.534 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)/C=C\SCc1ccco1 ZINC000833092340 604601109 /nfs/dbraw/zinc/60/11/09/604601109.db2.gz CYWFDZMBWPYSQR-ALCCZGGFSA-N -1 0 336.340 3.607 20 0 EHADRM CC1(C)C[C@H](NC(=O)NCc2cccc(C(=O)[O-])c2)c2ccccc21 ZINC000828055308 604625900 /nfs/dbraw/zinc/62/59/00/604625900.db2.gz AMBFRDYBTCLHNP-KRWDZBQOSA-N -1 0 338.407 3.607 20 0 EHADRM O=C([O-])CCOc1ccc(Nc2nc(C(F)(F)F)cs2)cc1 ZINC000833239500 604630241 /nfs/dbraw/zinc/63/02/41/604630241.db2.gz RIQCESHDXGCUCG-UHFFFAOYSA-N -1 0 332.303 3.759 20 0 EHADRM O=C([O-])c1cccc(NC2CCN(c3nc4ccccc4o3)CC2)c1 ZINC000575320520 604636446 /nfs/dbraw/zinc/63/64/46/604636446.db2.gz XMBYQNCLPFEHNW-UHFFFAOYSA-N -1 0 337.379 3.607 20 0 EHADRM COc1ccc(NCc2cc(C)c(OCC(=O)[O-])c(C)c2)c(C)c1 ZINC000832413221 604649676 /nfs/dbraw/zinc/64/96/76/604649676.db2.gz KOHHHBWBUFKQEW-UHFFFAOYSA-N -1 0 329.396 3.696 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NCC23CCC(CC2)C3)cc1 ZINC000833418320 604658494 /nfs/dbraw/zinc/65/84/94/604658494.db2.gz GVZWRLZWSPGHIU-UHFFFAOYSA-N -1 0 330.428 3.751 20 0 EHADRM CC(C)c1ccc(CN(C)C(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC000630291625 604664348 /nfs/dbraw/zinc/66/43/48/604664348.db2.gz WGCAQITUJQDQBD-UHFFFAOYSA-N -1 0 325.408 3.709 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@@H]1CC(=O)[O-])c1cc2ccccc2s1 ZINC000827652047 604684112 /nfs/dbraw/zinc/68/41/12/604684112.db2.gz AKYBXKYPENJOSC-DGCLKSJQSA-N -1 0 332.425 3.611 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)N[C@H](c1ccccc1F)C1CCCC1 ZINC000833209394 604690364 /nfs/dbraw/zinc/69/03/64/604690364.db2.gz DKMFSCOSGALLMB-KDOFPFPSSA-N -1 0 348.418 3.706 20 0 EHADRM O=C([O-])[C@@H](OC(=O)Cc1ccc(F)cc1Cl)c1ccccc1F ZINC000833118890 604692535 /nfs/dbraw/zinc/69/25/35/604692535.db2.gz UDCXOJCUIXTGMB-HNNXBMFYSA-N -1 0 340.709 3.530 20 0 EHADRM CC(C)Oc1cccc(CC(=O)OCc2ccc(C(=O)[O-])cc2F)c1 ZINC000833507286 604701044 /nfs/dbraw/zinc/70/10/44/604701044.db2.gz XYONWKWFQACDHB-UHFFFAOYSA-N -1 0 346.354 3.597 20 0 EHADRM Cc1cc([C@H](C)Sc2nnc(-c3cccs3)n2C)oc1C(=O)[O-] ZINC000832873049 604710019 /nfs/dbraw/zinc/71/00/19/604710019.db2.gz FCLVAATZCKQQOZ-VIFPVBQESA-N -1 0 349.437 3.997 20 0 EHADRM Cc1cc([C@H](C)Sc2ncn(-c3ccccc3)n2)oc1C(=O)[O-] ZINC000832876733 604710998 /nfs/dbraw/zinc/71/09/98/604710998.db2.gz YDDSMIGGELTSJA-NSHDSACASA-N -1 0 329.381 3.720 20 0 EHADRM CC(C)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000833496743 604725086 /nfs/dbraw/zinc/72/50/86/604725086.db2.gz RLJSBSZIABGRKE-UHFFFAOYSA-N -1 0 329.371 3.504 20 0 EHADRM C[C@@H](OC(=O)Cc1cccc(C(=O)[O-])c1)c1ncc(C(C)(C)C)o1 ZINC000833533518 604731673 /nfs/dbraw/zinc/73/16/73/604731673.db2.gz XUKPCJBBOQXZTI-LLVKDONJSA-N -1 0 331.368 3.517 20 0 EHADRM C/C(=C\c1cccc(Cl)c1)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000761579594 604736054 /nfs/dbraw/zinc/73/60/54/604736054.db2.gz ZPWQQISJZJWYGA-YBHKSSGVSA-N -1 0 329.783 3.685 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000262157363 604775674 /nfs/dbraw/zinc/77/56/74/604775674.db2.gz NQOACXNMDSSHAU-YJBOKZPZSA-N -1 0 337.419 3.722 20 0 EHADRM O=C([O-])c1occc1CNc1ccc(OC(F)F)cc1OC(F)F ZINC000833785339 604778174 /nfs/dbraw/zinc/77/81/74/604778174.db2.gz QAMCNIOIHAMJNB-UHFFFAOYSA-N -1 0 349.236 3.793 20 0 EHADRM CCCOc1cc(F)ccc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000262175245 604784243 /nfs/dbraw/zinc/78/42/43/604784243.db2.gz PKXJKAZOXRIUJU-UHFFFAOYSA-N -1 0 345.370 3.884 20 0 EHADRM C[C@H](SCCc1cn(CC(=O)[O-])nn1)c1ccc2ccccc2c1 ZINC000827908230 604802867 /nfs/dbraw/zinc/80/28/67/604802867.db2.gz HHHPPVACHGLIPR-ZDUSSCGKSA-N -1 0 341.436 3.553 20 0 EHADRM C[C@@H](CC(=O)N1CCc2ccc(C(=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000262229199 604812625 /nfs/dbraw/zinc/81/26/25/604812625.db2.gz SDZBTEMAYLIEDL-ZDUSSCGKSA-N -1 0 341.382 3.602 20 0 EHADRM CC(C)c1ncc(C(=O)Oc2ccc(Cl)cc2C(=O)[O-])s1 ZINC000827158539 604812942 /nfs/dbraw/zinc/81/29/42/604812942.db2.gz KUWAIFANEMLALM-UHFFFAOYSA-N -1 0 325.773 3.837 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(OC(F)F)c(F)c2)cc1F ZINC000833157225 604813819 /nfs/dbraw/zinc/81/38/19/604813819.db2.gz UABNMJQTIWIPAD-UHFFFAOYSA-N -1 0 343.232 3.517 20 0 EHADRM C[C@@H](CSCc1ccccc1)C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000827576492 604815977 /nfs/dbraw/zinc/81/59/77/604815977.db2.gz XRHCQTVECJZLBV-AWEZNQCLSA-N -1 0 343.448 3.917 20 0 EHADRM CC(C)C(=O)Nc1ccc(Nc2nc(Cl)c(C(=O)[O-])s2)cc1 ZINC000833466467 604821271 /nfs/dbraw/zinc/82/12/71/604821271.db2.gz GOJVRUIABSVOEF-UHFFFAOYSA-N -1 0 339.804 3.833 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC(c3ccccc3F)CC2)cc1F ZINC000833309129 604825417 /nfs/dbraw/zinc/82/54/17/604825417.db2.gz KSHXLIAXZMLZSR-UHFFFAOYSA-N -1 0 345.345 3.683 20 0 EHADRM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828151365 604828223 /nfs/dbraw/zinc/82/82/23/604828223.db2.gz WEIMCJDHKZNBAS-ZFWWWQNUSA-N -1 0 341.382 3.617 20 0 EHADRM C[C@H](CSCc1ccccc1)C(=O)OCc1occc1C(=O)[O-] ZINC000827580530 604841659 /nfs/dbraw/zinc/84/16/59/604841659.db2.gz DFRVJESFXBBQEA-GFCCVEGCSA-N -1 0 334.393 3.591 20 0 EHADRM C[C@@H](OC(=O)Cc1cccc(C(=O)[O-])c1)c1c(F)cc(F)cc1F ZINC000833533690 604842856 /nfs/dbraw/zinc/84/28/56/604842856.db2.gz ZEJIYGCDCWMNDK-SECBINFHSA-N -1 0 338.281 3.649 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1cnc(C(C)C)s1 ZINC000833030880 604843355 /nfs/dbraw/zinc/84/33/55/604843355.db2.gz FPQKODXGIHJHTM-UHFFFAOYSA-N -1 0 325.411 3.692 20 0 EHADRM Cc1ccc(CCC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)cc1 ZINC000237688314 604845628 /nfs/dbraw/zinc/84/56/28/604845628.db2.gz JYTXYHPVXWSJOK-UHFFFAOYSA-N -1 0 347.798 3.683 20 0 EHADRM Cc1ccc(F)c(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)c1 ZINC000237767822 604845790 /nfs/dbraw/zinc/84/57/90/604845790.db2.gz HQUWXSRXFYEXNZ-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM CC(C)C[C@H](C)CC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000236735639 604846582 /nfs/dbraw/zinc/84/65/82/604846582.db2.gz SFMIPMFXOWSZOQ-NSHDSACASA-N -1 0 327.808 3.814 20 0 EHADRM CCC(CC)n1ccc(COC(=O)c2ccc(NC(=O)[O-])cc2)n1 ZINC000828869728 604862726 /nfs/dbraw/zinc/86/27/26/604862726.db2.gz FXVULJQOPXCIBT-UHFFFAOYSA-N -1 0 331.372 3.691 20 0 EHADRM CN(C(=O)c1cc2ccc(F)cc2s1)C1(C(=O)[O-])CCCCC1 ZINC000324114362 604863595 /nfs/dbraw/zinc/86/35/95/604863595.db2.gz LUSLGMIJTLAXNM-UHFFFAOYSA-N -1 0 335.400 3.900 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)Cc2cccc3ccccc32)C1 ZINC000392611110 604878527 /nfs/dbraw/zinc/87/85/27/604878527.db2.gz DVGLZNXUKIQWTA-KRWDZBQOSA-N -1 0 339.435 3.732 20 0 EHADRM O=C([O-])C[C@H](NC(=O)/C=C\c1ccc2ccccc2n1)c1ccccc1 ZINC000769516159 604881104 /nfs/dbraw/zinc/88/11/04/604881104.db2.gz UBIILUDADHTIKU-HSNDNRACSA-N -1 0 346.386 3.580 20 0 EHADRM CC(C)(C)SCCCC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833447501 604883279 /nfs/dbraw/zinc/88/32/79/604883279.db2.gz SHTDJCCUAJXNMX-CYBMUJFWSA-N -1 0 329.506 3.648 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)o1 ZINC000326829716 604886559 /nfs/dbraw/zinc/88/65/59/604886559.db2.gz KSRQXNXXHBNTIC-YCPHGPKFSA-N -1 0 347.455 3.685 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2ccccc2C(F)(F)F)C1 ZINC000325499257 604886745 /nfs/dbraw/zinc/88/67/45/604886745.db2.gz ZWFUBICOYRVVGG-NSHDSACASA-N -1 0 343.345 3.668 20 0 EHADRM CC1=C(C(=O)[O-])C[C@H](CSc2ncc(-c3ccc(F)cc3)o2)O1 ZINC000833580754 604887686 /nfs/dbraw/zinc/88/76/86/604887686.db2.gz IXQXLSDYZACWEG-GFCCVEGCSA-N -1 0 335.356 3.720 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000392069455 604888113 /nfs/dbraw/zinc/88/81/13/604888113.db2.gz PMGBOXQVORHAQG-OCABNYQQSA-N -1 0 333.472 3.552 20 0 EHADRM C[C@@]1(NC(=O)c2cnc(-c3ccccc3)s2)CCCC[C@@H]1C(=O)[O-] ZINC000262868655 604891380 /nfs/dbraw/zinc/89/13/80/604891380.db2.gz UTWHELUHIOXOCA-FZKQIMNGSA-N -1 0 344.436 3.573 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CCc3ccc(F)cc3C2)ccc1Cl ZINC000833300343 604894252 /nfs/dbraw/zinc/89/42/52/604894252.db2.gz MOEJDSSPCWNXKR-UHFFFAOYSA-N -1 0 348.761 3.768 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@H]2CCSc3ccccc32)C1 ZINC000833414504 604895785 /nfs/dbraw/zinc/89/57/85/604895785.db2.gz AHEJGDIVSZCYII-HIFRSBDPSA-N -1 0 347.480 3.615 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)CCc2cc(Cl)cs2)C1 ZINC000679105632 604896419 /nfs/dbraw/zinc/89/64/19/604896419.db2.gz KVCJJQPZCZFJAD-LLVKDONJSA-N -1 0 343.876 3.684 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)sc1C ZINC000237791156 604900745 /nfs/dbraw/zinc/90/07/45/604900745.db2.gz HRFAGUDSEQDIMU-UHFFFAOYSA-N -1 0 339.800 3.734 20 0 EHADRM Cc1ccc(C)c(OCCCCC(=O)Nc2cncc(C(=O)[O-])c2)c1 ZINC000832926102 604902066 /nfs/dbraw/zinc/90/20/66/604902066.db2.gz GFKKYLYEXBCOJM-UHFFFAOYSA-N -1 0 342.395 3.584 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000832851235 604904340 /nfs/dbraw/zinc/90/43/40/604904340.db2.gz HFCHNONEQFMPNQ-UHFFFAOYSA-N -1 0 330.340 3.694 20 0 EHADRM O=C([O-])c1cncc(NC(=O)c2sc3ccccc3c2Cl)c1 ZINC000316373786 604909197 /nfs/dbraw/zinc/90/91/97/604909197.db2.gz IBQXKPBAWSBUAW-UHFFFAOYSA-N -1 0 332.768 3.900 20 0 EHADRM C[C@@H](CC(=O)N[C@H](C(=O)[O-])C(C)(C)C)Cc1ccc(Cl)cc1 ZINC000683307770 604912379 /nfs/dbraw/zinc/91/23/79/604912379.db2.gz LTJIJQZGFDXVLZ-IAQYHMDHSA-N -1 0 325.836 3.524 20 0 EHADRM Cc1sc(NC(=O)N2CCc3ccsc3C2)c(C(=O)[O-])c1C ZINC000833758039 604916549 /nfs/dbraw/zinc/91/65/49/604916549.db2.gz JLBAKUBMCKPCJS-UHFFFAOYSA-N -1 0 336.438 3.715 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1ccc(F)c(Cl)c1 ZINC000833226621 604933023 /nfs/dbraw/zinc/93/30/23/604933023.db2.gz LLPYCTAZEIIQLZ-UHFFFAOYSA-N -1 0 349.789 3.986 20 0 EHADRM Cc1ccc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)cc1C ZINC000237844697 604935262 /nfs/dbraw/zinc/93/52/62/604935262.db2.gz WRSCDWYASTWAHD-UHFFFAOYSA-N -1 0 325.408 3.811 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2CCc2ccccc2)cc1F ZINC000833309155 604944056 /nfs/dbraw/zinc/94/40/56/604944056.db2.gz MBFUIMSQTUXOGU-INIZCTEOSA-N -1 0 341.382 3.761 20 0 EHADRM C[C@H](CC(=O)N1C[C@@H](C)[C@H]1c1ccccc1)C1CCN(C(=O)[O-])CC1 ZINC000824565043 604969042 /nfs/dbraw/zinc/96/90/42/604969042.db2.gz LAWLUOWUAXIVCE-CLCXKQKWSA-N -1 0 344.455 3.622 20 0 EHADRM CC[C@@H](C)[C@H]1CCCCN1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000828737699 604987019 /nfs/dbraw/zinc/98/70/19/604987019.db2.gz LWADYQIAZZUEIP-DGCLKSJQSA-N -1 0 339.461 3.593 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)Nc2cc(C(F)F)ccc2Cl)C1 ZINC000263058147 604992714 /nfs/dbraw/zinc/99/27/14/604992714.db2.gz ODWCUKVAJSBGGE-VIFPVBQESA-N -1 0 332.734 3.606 20 0 EHADRM CCc1nc(NC(=O)CC/C=C\c2ccccc2)sc1C(=O)[O-] ZINC000833676103 604995409 /nfs/dbraw/zinc/99/54/09/604995409.db2.gz KCSPKCLBJNWXIU-POHAHGRESA-N -1 0 330.409 3.836 20 0 EHADRM CCc1nc(NC(=O)C[C@@H](C)c2cccc(OC)c2)sc1C(=O)[O-] ZINC000833676159 604996007 /nfs/dbraw/zinc/99/60/07/604996007.db2.gz LISCQWAFSLCJTB-SNVBAGLBSA-N -1 0 348.424 3.545 20 0 EHADRM CC1=C(C(=O)[O-])C[C@H](CSc2nnc(-c3ccc(C)cc3C)o2)O1 ZINC000833581504 604998636 /nfs/dbraw/zinc/99/86/36/604998636.db2.gz OXGDZDMMIHRUBC-GFCCVEGCSA-N -1 0 346.408 3.593 20 0 EHADRM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000833616243 605020132 /nfs/dbraw/zinc/02/01/32/605020132.db2.gz AMIROBGLPVSSBR-YJYMSZOUSA-N -1 0 338.407 3.759 20 0 EHADRM CCN(c1cccc(C)c1C)S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC000833655068 605021401 /nfs/dbraw/zinc/02/14/01/605021401.db2.gz WBTTUXOFNURSEW-UHFFFAOYSA-N -1 0 347.436 3.525 20 0 EHADRM CCCN(C(=O)c1cncc(C(=O)[O-])c1)[C@H](CC)c1ccccc1 ZINC000833651470 605029714 /nfs/dbraw/zinc/02/97/14/605029714.db2.gz LNYBYPNMVKLWKT-QGZVFWFLSA-N -1 0 326.396 3.783 20 0 EHADRM C[C@H](CC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21)c1ccc(F)cc1F ZINC000192939719 605062268 /nfs/dbraw/zinc/06/22/68/605062268.db2.gz JBSGCGFUUMQBLT-IAQYHMDHSA-N -1 0 345.345 3.673 20 0 EHADRM CC(C)(C)SCC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000128128970 605063728 /nfs/dbraw/zinc/06/37/28/605063728.db2.gz OPFPCTNQBSJQOA-UHFFFAOYSA-N -1 0 346.246 3.618 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000833456647 605066205 /nfs/dbraw/zinc/06/62/05/605066205.db2.gz TUQZPUJFGCVKAA-UHFFFAOYSA-N -1 0 336.388 3.779 20 0 EHADRM CC(=O)c1c(C)cc(C)c(COC(=O)C2CCC(C(=O)[O-])CC2)c1C ZINC000833400188 605073575 /nfs/dbraw/zinc/07/35/75/605073575.db2.gz DJGRWMPJEYTXIG-UHFFFAOYSA-N -1 0 346.423 3.749 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CC(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)CCO1 ZINC000833469561 605075124 /nfs/dbraw/zinc/07/51/24/605075124.db2.gz BJJQPIPAGANDSO-SZMVWBNQSA-N -1 0 347.455 3.550 20 0 EHADRM CC(C)Cn1cc(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])cn1 ZINC000833494927 605075728 /nfs/dbraw/zinc/07/57/28/605075728.db2.gz UCPUSBIAUSMDED-UHFFFAOYSA-N -1 0 329.400 3.613 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)C1CCC(C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000194392869 605082374 /nfs/dbraw/zinc/08/23/74/605082374.db2.gz YKAZYFDHQQUMEJ-XUJLQICISA-N -1 0 335.419 3.920 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccccc1OC(F)(F)F)C(=O)[O-] ZINC000336877260 605091042 /nfs/dbraw/zinc/09/10/42/605091042.db2.gz PGMJZOCMTCPXFV-UHFFFAOYSA-N -1 0 348.321 3.598 20 0 EHADRM CCC(CC)(CNC(=O)N(C)Cc1ccc(F)cc1Cl)C(=O)[O-] ZINC000424430447 605098308 /nfs/dbraw/zinc/09/83/08/605098308.db2.gz MMTIWDWRMKCGMQ-UHFFFAOYSA-N -1 0 344.814 3.512 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cccc(-c2ncc(C)o2)c1)C(=O)[O-] ZINC000424386765 605100457 /nfs/dbraw/zinc/10/04/57/605100457.db2.gz WGTRRNYRJXLBAT-UHFFFAOYSA-N -1 0 345.399 3.663 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Oc1ccccc1Oc1ccccn1 ZINC000833455860 605106226 /nfs/dbraw/zinc/10/62/26/605106226.db2.gz BCKQSNAMZFAIKA-UHFFFAOYSA-N -1 0 329.352 3.670 20 0 EHADRM C[C@@H]1CC[C@@H](NC(=O)c2cccc(OCC(=O)[O-])c2)c2ccccc21 ZINC000262885226 605108268 /nfs/dbraw/zinc/10/82/68/605108268.db2.gz YGYDCXUQGGGFBX-FZKQIMNGSA-N -1 0 339.391 3.518 20 0 EHADRM CC(C)(C)c1ccc(C(C)(C)NC(=O)NCCCCC(=O)[O-])cc1 ZINC000666557812 605122612 /nfs/dbraw/zinc/12/26/12/605122612.db2.gz XZXHXAGOKGUHKI-UHFFFAOYSA-N -1 0 334.460 3.773 20 0 EHADRM CC1(C)CCc2ccccc2[C@@H]1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263270013 605124239 /nfs/dbraw/zinc/12/42/39/605124239.db2.gz RMNGRDLXJLEDCW-DQPZFDDXSA-N -1 0 344.455 3.643 20 0 EHADRM O=C([O-])c1cc(NC(=O)NC2CCCCC2)ccc1Br ZINC000132363929 605128146 /nfs/dbraw/zinc/12/81/46/605128146.db2.gz AYQHJLVRLFCQFT-UHFFFAOYSA-N -1 0 341.205 3.602 20 0 EHADRM CC[C@H](C)[C@@H](C)NC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000132521902 605129195 /nfs/dbraw/zinc/12/91/95/605129195.db2.gz DJXVQVQJEPVBHP-DTWKUNHWSA-N -1 0 343.221 3.703 20 0 EHADRM CCCN(C(=O)Nc1ccc(Br)cc1C(=O)[O-])C1CC1 ZINC000050208773 605130249 /nfs/dbraw/zinc/13/02/49/605130249.db2.gz AKBNAUAMUZADDG-UHFFFAOYSA-N -1 0 341.205 3.554 20 0 EHADRM C[C@@H]1CSC(S[C@@H](C(=O)[O-])c2cccc(Br)c2)=N1 ZINC000833631132 605149612 /nfs/dbraw/zinc/14/96/12/605149612.db2.gz HPBNWWDMUUGHSJ-GMSGAONNSA-N -1 0 346.271 3.799 20 0 EHADRM CC(C)(C)C[C@@H](Sc1nc2ccccc2c(=O)n1C1CC1)C(=O)[O-] ZINC000833430600 605150224 /nfs/dbraw/zinc/15/02/24/605150224.db2.gz XQBBDTVEAOSQOR-CQSZACIVSA-N -1 0 346.452 3.713 20 0 EHADRM C[C@H](SCCOc1ccccc1C(=O)[O-])c1nc(C2CC2)no1 ZINC000833542197 605158783 /nfs/dbraw/zinc/15/87/83/605158783.db2.gz GMQQVPALKYCWGR-JTQLQIEISA-N -1 0 334.397 3.518 20 0 EHADRM CCC(CC)n1nc(C(=O)OCc2cc(C)c(C(=O)[O-])o2)cc1C ZINC000833641730 605165892 /nfs/dbraw/zinc/16/58/92/605165892.db2.gz NPVXUBWJCNJGBK-UHFFFAOYSA-N -1 0 334.372 3.509 20 0 EHADRM C[C@@H]1CCC[C@@H](OCCCCCC(=O)N2CCC[C@H]2CC(=O)[O-])C1 ZINC000833606957 605173493 /nfs/dbraw/zinc/17/34/93/605173493.db2.gz BBYOGMJNZYTJQQ-IXDOHACOSA-N -1 0 339.476 3.608 20 0 EHADRM CC1(C)Cc2ccc(Cl)cc2[C@H]1OC(=O)CCSCC(=O)[O-] ZINC000833562549 605175222 /nfs/dbraw/zinc/17/52/22/605175222.db2.gz TYLVZWALZYOHMA-OAHLLOKOSA-N -1 0 342.844 3.715 20 0 EHADRM C[C@@H]1CC[C@@H](CC(=O)OCc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000833605467 605191046 /nfs/dbraw/zinc/19/10/46/605191046.db2.gz ZRWQBIWJSIZDNE-CHWSQXEVSA-N -1 0 343.379 3.909 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2(c3ccc(F)cc3F)CCC2)s1 ZINC000833782404 605203166 /nfs/dbraw/zinc/20/31/66/605203166.db2.gz FXLDCGDFTPCUQQ-UHFFFAOYSA-N -1 0 337.347 3.785 20 0 EHADRM CCC(CC)n1ccc(C(=O)Nc2cccc3c2CCN3C(=O)[O-])n1 ZINC000826575887 605218158 /nfs/dbraw/zinc/21/81/58/605218158.db2.gz NHOHOVOHLWIDFS-UHFFFAOYSA-N -1 0 342.399 3.537 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)c1ccc2[nH]c(C(F)F)nc2c1)C(=O)[O-] ZINC000833428991 605229594 /nfs/dbraw/zinc/22/95/94/605229594.db2.gz DRTKHIGHKAZIJN-LLVKDONJSA-N -1 0 340.326 3.547 20 0 EHADRM CC(C)C[C@@H](NC(=O)Cc1ccccc1C(=O)[O-])c1cccs1 ZINC000539676676 605237694 /nfs/dbraw/zinc/23/76/94/605237694.db2.gz HDZINLRQHIFOOI-OAHLLOKOSA-N -1 0 331.437 3.892 20 0 EHADRM CC(C)CN(Cc1ccccc1F)C(=O)Cc1ccccc1C(=O)[O-] ZINC000630227813 605240218 /nfs/dbraw/zinc/24/02/18/605240218.db2.gz URFYZMBGWIXSIW-UHFFFAOYSA-N -1 0 343.398 3.751 20 0 EHADRM COc1ccc(NCc2occc2Br)cc1NC(=O)[O-] ZINC000829479079 605244649 /nfs/dbraw/zinc/24/46/49/605244649.db2.gz COWJUXPVWADLPZ-UHFFFAOYSA-N -1 0 341.161 3.753 20 0 EHADRM O=C([O-])NCC(=O)Nc1cc(Cl)ccc1NCC1CCCCC1 ZINC000833776941 605244979 /nfs/dbraw/zinc/24/49/79/605244979.db2.gz CXHWVQNHQNQQFT-UHFFFAOYSA-N -1 0 339.823 3.538 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000826581890 605245151 /nfs/dbraw/zinc/24/51/51/605245151.db2.gz RAMUTQSVHRTNMZ-UHFFFAOYSA-N -1 0 344.415 3.606 20 0 EHADRM O=C([O-])N1CCc2cccc(CNc3cccc(-c4cnco4)c3)c21 ZINC000832086269 605245256 /nfs/dbraw/zinc/24/52/56/605245256.db2.gz DCQGASQQMJNYFZ-UHFFFAOYSA-N -1 0 335.363 3.994 20 0 EHADRM C[C@H](C(=O)Nc1ccc(C(=O)[O-])nc1)c1ccccc1C(F)(F)F ZINC000833407278 605252961 /nfs/dbraw/zinc/25/29/61/605252961.db2.gz AUJPZCZQDGWQMN-VIFPVBQESA-N -1 0 338.285 3.541 20 0 EHADRM Cc1ccc(NCc2ccc(NC(=O)[O-])nc2)cc1OCC(F)F ZINC000830395868 605253763 /nfs/dbraw/zinc/25/37/63/605253763.db2.gz MHHYZQWYAMFDHT-UHFFFAOYSA-N -1 0 337.326 3.736 20 0 EHADRM CCOc1ccc(C(F)(F)F)cc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000191129878 605256078 /nfs/dbraw/zinc/25/60/78/605256078.db2.gz YEYVPHTYEHSARC-UHFFFAOYSA-N -1 0 347.333 3.934 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)c2c[nH]c3cc(F)ccc32)cc1 ZINC000833686022 605263952 /nfs/dbraw/zinc/26/39/52/605263952.db2.gz VJMDGSWFKQPBPZ-UHFFFAOYSA-N -1 0 327.315 3.674 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CC[C@@](C)(CCc2ccccc2)C1 ZINC000683304364 605264292 /nfs/dbraw/zinc/26/42/92/605264292.db2.gz VQTAZAFKGLSCQP-HXUWFJFHSA-N -1 0 331.456 3.749 20 0 EHADRM CC(C)[C@@H]1C[C@H](CC(=O)Nc2ccc(NC(=O)[O-])c(F)c2)CCO1 ZINC000833472489 605275118 /nfs/dbraw/zinc/27/51/18/605275118.db2.gz STBRQVHKBOTGRI-ABAIWWIYSA-N -1 0 338.379 3.695 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)CCc1ccc2[nH]ccc2c1 ZINC000833681307 605276265 /nfs/dbraw/zinc/27/62/65/605276265.db2.gz XMUVVNGNSRLZGK-UHFFFAOYSA-N -1 0 341.363 3.698 20 0 EHADRM C[C@@H]1Cc2ccccc2CN1C(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833632886 605284000 /nfs/dbraw/zinc/28/40/00/605284000.db2.gz QRTMZGDGHNOBPD-LLVKDONJSA-N -1 0 343.358 3.894 20 0 EHADRM CCc1cc(N[C@H](C(=O)[O-])c2cccc(C(=O)OC)c2)ccc1C ZINC000833671682 605290338 /nfs/dbraw/zinc/29/03/38/605290338.db2.gz OLZVBGFOMLWOLN-KRWDZBQOSA-N -1 0 327.380 3.582 20 0 EHADRM Cc1cc(C(=O)N2CC[C@H]2c2cccc(F)c2)ccc1NC(=O)[O-] ZINC000829924992 605321194 /nfs/dbraw/zinc/32/11/94/605321194.db2.gz MUIVFYLWOYLQAJ-INIZCTEOSA-N -1 0 328.343 3.811 20 0 EHADRM C[C@@H](Cc1noc(Cc2cc(Cl)ccc2Cl)n1)N(C)C(=O)[O-] ZINC000825047647 605331137 /nfs/dbraw/zinc/33/11/37/605331137.db2.gz ILOXZAZAPKUVPD-QMMMGPOBSA-N -1 0 344.198 3.508 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1ccccc1-n1nccc1C ZINC000833680215 605335980 /nfs/dbraw/zinc/33/59/80/605335980.db2.gz FEBHHFOTLZNFQV-UHFFFAOYSA-N -1 0 325.368 3.646 20 0 EHADRM CCc1cc(C(=O)N2CCCN(C(=O)[O-])c3ccccc32)oc1CC ZINC000827556342 605358061 /nfs/dbraw/zinc/35/80/61/605358061.db2.gz HDBLKNNULYLYEQ-UHFFFAOYSA-N -1 0 342.395 3.939 20 0 EHADRM Cc1ccc(C[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000685018980 605419745 /nfs/dbraw/zinc/41/97/45/605419745.db2.gz OCEGVKQRABCSGE-UKRRQHHQSA-N -1 0 331.437 3.567 20 0 EHADRM CC(C)CC[C@@H]1CCCN1C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000824231389 605423287 /nfs/dbraw/zinc/42/32/87/605423287.db2.gz HXKPSQWQVWVQSW-YNBOMUFVSA-N -1 0 336.476 3.725 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N2CCc3cccc(F)c3C2)c1 ZINC000834261786 605443440 /nfs/dbraw/zinc/44/34/40/605443440.db2.gz OLALXXYAXCCXLC-UHFFFAOYSA-N -1 0 347.321 3.645 20 0 EHADRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)Nc1cc(Cl)ccc1Cl ZINC000825829604 605468421 /nfs/dbraw/zinc/46/84/21/605468421.db2.gz CDYVXRYRNBFDJH-PSASIEDQSA-N -1 0 346.214 3.646 20 0 EHADRM CC(C)(C)Oc1ccccc1NC(=O)CC[C@H]1CCN(C(=O)[O-])C1 ZINC000833790852 605471318 /nfs/dbraw/zinc/47/13/18/605471318.db2.gz OZIJKKSQCYCMIP-ZDUSSCGKSA-N -1 0 334.416 3.583 20 0 EHADRM CC(C)(C)c1nc(CC(=O)OCc2cccc(NC(=O)[O-])c2)cs1 ZINC000823864191 605546281 /nfs/dbraw/zinc/54/62/81/605546281.db2.gz ILCNAYYGPFJBOM-UHFFFAOYSA-N -1 0 348.424 3.816 20 0 EHADRM O=C([O-])Nc1ccc(CNc2ccc(F)cc2OC(F)F)cn1 ZINC000834259644 605585372 /nfs/dbraw/zinc/58/53/72/605585372.db2.gz CZGVYXJDDNJQSM-UHFFFAOYSA-N -1 0 327.262 3.524 20 0 EHADRM Cc1cc(C(=O)Nc2cnc(-c3ccccc3)nc2)ccc1NC(=O)[O-] ZINC000829969737 605585934 /nfs/dbraw/zinc/58/59/34/605585934.db2.gz AYDWMYOLKSBPJI-UHFFFAOYSA-N -1 0 348.362 3.794 20 0 EHADRM O=C([O-])N[C@@H](CC(=O)Nc1cccc(C(F)F)c1)c1ccccc1 ZINC000834126403 605602012 /nfs/dbraw/zinc/60/20/12/605602012.db2.gz BLGRDNFLOQADGO-AWEZNQCLSA-N -1 0 334.322 3.962 20 0 EHADRM C[C@H]1CC[C@@H](C(F)(F)F)CN1c1nc(Cl)c(C(=O)[O-])s1 ZINC000833605303 605609081 /nfs/dbraw/zinc/60/90/81/605609081.db2.gz IYOATGYTZGILMT-NTSWFWBYSA-N -1 0 328.743 3.662 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(NC(=O)[O-])c(C)c1)c1ccccc1OC ZINC000826612955 605611163 /nfs/dbraw/zinc/61/11/63/605611163.db2.gz DEMPKJGNHWWDAN-OAHLLOKOSA-N -1 0 342.395 3.975 20 0 EHADRM CC(C)c1ccsc1C(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC000649253546 605622713 /nfs/dbraw/zinc/62/27/13/605622713.db2.gz HDPNTCLZELFJTE-UHFFFAOYSA-N -1 0 344.436 3.772 20 0 EHADRM CCOc1cc(NC(=O)c2ccc(NC(=O)[O-])c(C)c2)ccc1OC ZINC000827417618 605627475 /nfs/dbraw/zinc/62/74/75/605627475.db2.gz BLCDVUARUUHXDX-UHFFFAOYSA-N -1 0 344.367 3.745 20 0 EHADRM CC(C)CC1(C(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)CCCC1 ZINC000833480165 605639338 /nfs/dbraw/zinc/63/93/38/605639338.db2.gz NEBYHCXQLIKMQV-UHFFFAOYSA-N -1 0 344.455 3.880 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N1CCc2ccc(Cl)cc2C1 ZINC000834271035 605639735 /nfs/dbraw/zinc/63/97/35/605639735.db2.gz DMNIGGRBDCQKAF-UHFFFAOYSA-N -1 0 344.798 3.557 20 0 EHADRM Cc1cc(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)ccc1NC(=O)[O-] ZINC000829939355 605653008 /nfs/dbraw/zinc/65/30/08/605653008.db2.gz CZIODPCRNBYPQP-HOCLYGCPSA-N -1 0 328.343 3.510 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)O[C@@H](c2ccccn2)C(F)(F)F)c1 ZINC000834265142 605658621 /nfs/dbraw/zinc/65/86/21/605658621.db2.gz QRBNOQWBHYNZDU-LBPRGKRZSA-N -1 0 340.257 3.632 20 0 EHADRM Cc1cccc2c1OCC[C@@H]2NC(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000829939468 605661017 /nfs/dbraw/zinc/66/10/17/605661017.db2.gz FSBOJYFKMDHUHT-INIZCTEOSA-N -1 0 340.379 3.647 20 0 EHADRM Cc1cc(C(=O)N(C)C[C@@H](C)c2ccccc2)ccc1NC(=O)[O-] ZINC000829914317 605671585 /nfs/dbraw/zinc/67/15/85/605671585.db2.gz FWCIYYQCWRGQRB-CQSZACIVSA-N -1 0 326.396 3.961 20 0 EHADRM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000833603458 605675529 /nfs/dbraw/zinc/67/55/29/605675529.db2.gz BEDPNPXQTRWJCP-WCQYABFASA-N -1 0 343.345 3.507 20 0 EHADRM COc1ccccc1C(C)(C)NC(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000829591617 605675742 /nfs/dbraw/zinc/67/57/42/605675742.db2.gz GEVJGYQLSFEBKS-UHFFFAOYSA-N -1 0 342.395 3.759 20 0 EHADRM Cc1ccc2c(c1C)OC[C@H]2NC(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000829944807 605675762 /nfs/dbraw/zinc/67/57/62/605675762.db2.gz GDEMNZZVBAISRV-MRXNPFEDSA-N -1 0 340.379 3.565 20 0 EHADRM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000833604811 605675782 /nfs/dbraw/zinc/67/57/82/605675782.db2.gz GWVIHOIDVRKBHP-FZMZJTMJSA-N -1 0 343.345 3.507 20 0 EHADRM O=C([O-])NC1CCC(Nc2cccc(OCc3cscn3)c2)CC1 ZINC000834169052 605697929 /nfs/dbraw/zinc/69/79/29/605697929.db2.gz RHCGOQPPJIJUBC-UHFFFAOYSA-N -1 0 347.440 3.713 20 0 EHADRM Cc1cc(C(=O)Nc2ccnn2-c2ccccc2)ccc1NC(=O)[O-] ZINC000829972336 605704821 /nfs/dbraw/zinc/70/48/21/605704821.db2.gz YYUUEBSBQXPQGX-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000833606821 605709645 /nfs/dbraw/zinc/70/96/45/605709645.db2.gz WKICYDWILKMNDU-RKDXNWHRSA-N -1 0 348.296 3.719 20 0 EHADRM Cc1cc(C(=O)N2CC[C@@H](c3ccc(F)cc3)C2)ccc1NC(=O)[O-] ZINC000829924173 605709651 /nfs/dbraw/zinc/70/96/51/605709651.db2.gz DVCRSRAOCQEIPS-OAHLLOKOSA-N -1 0 342.370 3.854 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(O)c2)cc1 ZINC000833450563 605754788 /nfs/dbraw/zinc/75/47/88/605754788.db2.gz VKWBMBVZRXZXTG-KRWDZBQOSA-N -1 0 341.407 3.636 20 0 EHADRM C[C@](O)(CC(=O)Nc1cc2ccccc2cc1C(=O)[O-])c1ccccc1 ZINC000833523915 605755591 /nfs/dbraw/zinc/75/55/91/605755591.db2.gz AHJICWQEVNCXIZ-NRFANRHFSA-N -1 0 349.386 3.774 20 0 EHADRM O=C([O-])Nc1cccc(Cc2nc(-c3nccc4ccccc43)no2)c1 ZINC000834267904 605755896 /nfs/dbraw/zinc/75/58/96/605755896.db2.gz FBXUKXCXKATTFA-UHFFFAOYSA-N -1 0 346.346 3.966 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)Nc2ncccc2-c2ccccc2)C1 ZINC000834167921 605762177 /nfs/dbraw/zinc/76/21/77/605762177.db2.gz DTAKTUGOORUXIV-LSDHHAIUSA-N -1 0 339.395 3.514 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)Nc2ccc3cccc(Cl)c3n2)o1 ZINC000834248219 605771541 /nfs/dbraw/zinc/77/15/41/605771541.db2.gz BTPWZKRQFDYAGA-UHFFFAOYSA-N -1 0 345.742 3.501 20 0 EHADRM CC(C)NC(=O)c1ccccc1NCc1cc(C(=O)[O-])ccc1Cl ZINC000833502766 605783342 /nfs/dbraw/zinc/78/33/42/605783342.db2.gz UXBRSCIAKXUGBG-UHFFFAOYSA-N -1 0 346.814 3.789 20 0 EHADRM COCc1nc(CSCc2cc(C(=O)[O-])ccc2F)cs1 ZINC000833725895 605789226 /nfs/dbraw/zinc/78/92/26/605789226.db2.gz HTWNXCACFPFGAT-UHFFFAOYSA-N -1 0 327.402 3.560 20 0 EHADRM O=C([O-])N1CCC2(C[C@H]2c2nc(Cc3ccccc3Cl)no2)CC1 ZINC000834087739 605793221 /nfs/dbraw/zinc/79/32/21/605793221.db2.gz HXFVHKUKMIRSQU-LBPRGKRZSA-N -1 0 347.802 3.561 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)c(F)c1 ZINC000833776720 605798206 /nfs/dbraw/zinc/79/82/06/605798206.db2.gz PEYGQUGQVQLSMH-KBPBESRZSA-N -1 0 348.757 3.815 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)[C@@H]2CCCc3sccc32)c(F)c1 ZINC000833777007 605803519 /nfs/dbraw/zinc/80/35/19/605803519.db2.gz WFVDFQVEZCXRDC-GFCCVEGCSA-N -1 0 334.368 3.540 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)C/C=C/c2ccc(F)cc2)c(F)c1 ZINC000833775951 605804878 /nfs/dbraw/zinc/80/48/78/605804878.db2.gz DJZDAZNEFRVWQL-OWOJBTEDSA-N -1 0 332.302 3.601 20 0 EHADRM O=C([O-])c1ccc(F)c(COC(=O)[C@H]2SCCc3ccccc32)c1 ZINC000833781291 605819293 /nfs/dbraw/zinc/81/92/93/605819293.db2.gz YVSODVIKOSTURY-INIZCTEOSA-N -1 0 346.379 3.598 20 0 EHADRM CCCN(C(=O)c1oc2ccccc2c1C)C1CCN(C(=O)[O-])CC1 ZINC000826886919 605820795 /nfs/dbraw/zinc/82/07/95/605820795.db2.gz DDNJRYNCGIQXQV-UHFFFAOYSA-N -1 0 344.411 3.736 20 0 EHADRM C[C@H](C(=O)Nc1cccc2c1CCN2C(=O)[O-])c1c(F)cccc1F ZINC000833789216 605841219 /nfs/dbraw/zinc/84/12/19/605841219.db2.gz HRUHWNMKTQCOFA-JTQLQIEISA-N -1 0 346.333 3.748 20 0 EHADRM O=C([O-])c1ccc(F)c(CNC2(c3ccc(F)cc3F)CCC2)c1 ZINC000833781316 605845410 /nfs/dbraw/zinc/84/54/10/605845410.db2.gz ZZIAKOBVOFFUBY-UHFFFAOYSA-N -1 0 335.325 3.971 20 0 EHADRM O=C([O-])NCCCCC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000834233310 605918238 /nfs/dbraw/zinc/91/82/38/605918238.db2.gz AIJTUTWYQWBWDJ-UHFFFAOYSA-N -1 0 326.396 3.658 20 0 EHADRM Cc1nc(NC(=O)[O-])sc1-c1nc(-c2ccc(F)c(F)c2)no1 ZINC000833913964 605941562 /nfs/dbraw/zinc/94/15/62/605941562.db2.gz NTDDKFPNGXNORD-UHFFFAOYSA-N -1 0 338.295 3.537 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)c1cc(-c2cccs2)[nH]n1 ZINC000833905915 606005378 /nfs/dbraw/zinc/00/53/78/606005378.db2.gz FLRYPZBPCFJOTA-UHFFFAOYSA-N -1 0 342.380 3.789 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N[C@@H]1CCSc2ccccc21 ZINC000834272088 606042731 /nfs/dbraw/zinc/04/27/31/606042731.db2.gz MYXIGCXMOBGCOR-OAHLLOKOSA-N -1 0 342.420 3.672 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)Nc1cccc(-c2ncco2)c1 ZINC000834274747 606073821 /nfs/dbraw/zinc/07/38/21/606073821.db2.gz WMJODDAHNIFGKF-UHFFFAOYSA-N -1 0 337.335 3.613 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@H]2CCCOc3cc(F)ccc32)cc1 ZINC000834258343 606094567 /nfs/dbraw/zinc/09/45/67/606094567.db2.gz WETPZPOAUZOFIE-HNNXBMFYSA-N -1 0 344.342 3.559 20 0 EHADRM Cc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)sc1C ZINC000181890324 939033452 /nfs/dbraw/zinc/03/34/52/939033452.db2.gz OXVAEGJDWQMYDY-CYBMUJFWSA-N -1 0 341.791 3.713 20 0 EHADRM CCCOc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000684743529 939045450 /nfs/dbraw/zinc/04/54/50/939045450.db2.gz HFNHJMAKIXVCPS-MRXNPFEDSA-N -1 0 346.358 3.562 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)NC3(C(=O)[O-])CCC3)cc2)cc1 ZINC000684744649 939046406 /nfs/dbraw/zinc/04/64/06/939046406.db2.gz CPDBNCXQJMJQSX-UHFFFAOYSA-N -1 0 340.379 3.916 20 0 EHADRM C[C@H](CC(=O)NC1(C(=O)[O-])CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000237592322 939047282 /nfs/dbraw/zinc/04/72/82/939047282.db2.gz VWQXWARJDIVHJC-LLVKDONJSA-N -1 0 343.345 3.713 20 0 EHADRM Cc1c2cccc(Cl)c2oc1C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000237771524 939049775 /nfs/dbraw/zinc/04/97/75/939049775.db2.gz VNVMANYVXJNMMN-UHFFFAOYSA-N -1 0 335.787 3.912 20 0 EHADRM Cc1c(C(=O)N[C@H](C(=O)[O-])c2ccccc2)sc2cccc(F)c12 ZINC000237838420 939050656 /nfs/dbraw/zinc/05/06/56/939050656.db2.gz SMXREPAILGNFKR-HNNXBMFYSA-N -1 0 343.379 3.905 20 0 EHADRM Cc1c2cccc(Cl)c2oc1C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000237817621 939050881 /nfs/dbraw/zinc/05/08/81/939050881.db2.gz XDJSIXXLLBLMHJ-CQSZACIVSA-N -1 0 343.766 3.950 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CCCc1ccc(Cl)cc1)c1ccccc1 ZINC000237987642 939053246 /nfs/dbraw/zinc/05/32/46/939053246.db2.gz ORUCPBRRUJLSKA-KRWDZBQOSA-N -1 0 331.799 3.605 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl)c1ccccc1 ZINC000238021282 939055309 /nfs/dbraw/zinc/05/53/09/939055309.db2.gz UXPSNGODODBESG-HWWQOWPSSA-N -1 0 347.773 3.525 20 0 EHADRM Cc1oc(-c2cccs2)nc1C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000746365119 939061084 /nfs/dbraw/zinc/06/10/84/939061084.db2.gz DQAQYVPAUJYDQV-UHFFFAOYSA-N -1 0 348.424 3.619 20 0 EHADRM C[C@@](NC(=O)C[C@H]1C=CCC1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000262925337 939087090 /nfs/dbraw/zinc/08/70/90/939087090.db2.gz GOJXIHCLHYJQSN-QFYYESIMSA-N -1 0 342.222 3.766 20 0 EHADRM CC1=C(C(=O)N[C@](C)(C(=O)[O-])c2ccc(Cl)c(Cl)c2)CCC1 ZINC000263061750 939096503 /nfs/dbraw/zinc/09/65/03/939096503.db2.gz QPJCFGLPAJHQNZ-INIZCTEOSA-N -1 0 342.222 3.910 20 0 EHADRM C[C@@H](CC(=O)N[C@@](C)(C(=O)[O-])c1ccc(F)cc1)c1ccccc1F ZINC000263124573 939101907 /nfs/dbraw/zinc/10/19/07/939101907.db2.gz GZXRRWSKSSUNNI-HXPMCKFVSA-N -1 0 347.361 3.575 20 0 EHADRM COc1ccc([C@@H](NC(=O)CC2CCCCC2)C(=O)[O-])cc1Cl ZINC000263155288 939104852 /nfs/dbraw/zinc/10/48/52/939104852.db2.gz VBERJWWUZGCUCS-MRXNPFEDSA-N -1 0 339.819 3.561 20 0 EHADRM Cc1ccc([C@H](NC(=O)Cc2ccc(Cl)s2)C(=O)[O-])cc1C ZINC000263548389 939115452 /nfs/dbraw/zinc/11/54/52/939115452.db2.gz VEQHCIAEJVJNEG-HNNXBMFYSA-N -1 0 337.828 3.503 20 0 EHADRM C[C@H]1CCc2c(C(=O)N[C@@](C)(C(=O)[O-])c3ccccc3)csc2C1 ZINC000324327426 939125385 /nfs/dbraw/zinc/12/53/85/939125385.db2.gz AOUKFNDGATVDMO-HXPMCKFVSA-N -1 0 343.448 3.603 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N[C@H](C(=O)[O-])C2CCCCC2)cc1 ZINC000325132490 939126163 /nfs/dbraw/zinc/12/61/63/939126163.db2.gz MWSGKZMOZMAAOM-INIZCTEOSA-N -1 0 334.416 3.629 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2ccc(Oc3ccccc3)cc2)CCC1 ZINC000325346962 939126233 /nfs/dbraw/zinc/12/62/33/939126233.db2.gz LULVZNCMQYPIIS-UHFFFAOYSA-N -1 0 326.352 3.608 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)NC1(C(=O)[O-])CCC(C)CC1 ZINC000336876876 939127557 /nfs/dbraw/zinc/12/75/57/939127557.db2.gz VOSIOVZPPVDVKS-UHFFFAOYSA-N -1 0 333.359 3.644 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2c(s1)CCCCC2)c1cccs1 ZINC000336855419 939127881 /nfs/dbraw/zinc/12/78/81/939127881.db2.gz WMMRHXKSNXTLKO-CQSZACIVSA-N -1 0 335.450 3.634 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N[C@@H](C(=O)[O-])c3ccccc3)s2)o1 ZINC000431426777 939149347 /nfs/dbraw/zinc/14/93/47/939149347.db2.gz JXRDCKBETOFXQV-MRXNPFEDSA-N -1 0 341.388 3.872 20 0 EHADRM CC[C@@](NC(=O)Nc1ccc(C)cc1C)(C(=O)[O-])c1ccccc1 ZINC000788320716 939149968 /nfs/dbraw/zinc/14/99/68/939149968.db2.gz DRSTVJYROJBSLS-IBGZPJMESA-N -1 0 326.396 3.815 20 0 EHADRM COc1cccc([C@@H](C)CCCC(=O)NC2(C(=O)[O-])CCCCC2)c1 ZINC000797432099 939158304 /nfs/dbraw/zinc/15/83/04/939158304.db2.gz LTXMGSXAVMQACF-HNNXBMFYSA-N -1 0 347.455 3.873 20 0 EHADRM O=C([O-])[C@H](NC(=O)NC[C@H]1CC=CCC1)c1cccc2ccccc21 ZINC000797711306 939170267 /nfs/dbraw/zinc/17/02/67/939170267.db2.gz JCJCPEBIQAERAN-KBXCAEBGSA-N -1 0 338.407 3.621 20 0 EHADRM O=C([O-])C1(NC(=O)c2cccc(-c3ccoc3)c2)CCCCCC1 ZINC000431987222 939170926 /nfs/dbraw/zinc/17/09/26/939170926.db2.gz PDTCZJMBIOWFQC-UHFFFAOYSA-N -1 0 327.380 3.854 20 0 EHADRM CC[C@](NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507309571 939233435 /nfs/dbraw/zinc/23/34/35/939233435.db2.gz DESPDPDHSJGYLM-LDDOYCOJSA-N -1 0 335.831 3.582 20 0 EHADRM C[C@@H](CCc1ccc(F)cc1)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000864114850 939246564 /nfs/dbraw/zinc/24/65/64/939246564.db2.gz FQPJUIHPGLUMLS-VBKZILBWSA-N -1 0 343.398 3.511 20 0 EHADRM CC(C)C[C@@H](C)CC(=O)N[C@H](C(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000537404320 939270543 /nfs/dbraw/zinc/27/05/43/939270543.db2.gz XZBFNAUCMLCTHY-ABAIWWIYSA-N -1 0 343.370 3.602 20 0 EHADRM O=C([O-])C1(NC(=O)c2sc3cccc(F)c3c2Cl)CCCC1 ZINC000901434081 939280287 /nfs/dbraw/zinc/28/02/87/939280287.db2.gz QFRWNXGGDAALJR-UHFFFAOYSA-N -1 0 341.791 3.821 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc(C2CC2)oc1C1CC1)c1ccccc1 ZINC000907576252 939299954 /nfs/dbraw/zinc/29/99/54/939299954.db2.gz CLHIFVLLXAOHCE-INIZCTEOSA-N -1 0 325.364 3.590 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1csc(C2CCCCC2)c1)c1ccccn1 ZINC000907831917 939301662 /nfs/dbraw/zinc/30/16/62/939301662.db2.gz MDJYSTXZNYFAJB-INIZCTEOSA-N -1 0 344.436 3.747 20 0 EHADRM CCC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C(=O)[O-])c1ccsc1 ZINC000555843604 939303494 /nfs/dbraw/zinc/30/34/94/939303494.db2.gz PGQUDFBWCQBICJ-HZPDHXFCSA-N -1 0 346.452 3.584 20 0 EHADRM CC(C)C[C@H](C)NC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000562459199 939332115 /nfs/dbraw/zinc/33/21/15/939332115.db2.gz MTOXISDOPHXVIG-SUMWQHHRSA-N -1 0 328.412 3.699 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2ccc(CCC(F)(F)F)cc2)CCCC1 ZINC000572749374 939401694 /nfs/dbraw/zinc/40/16/94/939401694.db2.gz KYWMLGMKTBDUFQ-UHFFFAOYSA-N -1 0 344.333 3.700 20 0 EHADRM Cc1cccc([C@@H](NC(=O)NCc2cccc(Cl)c2)C(=O)[O-])c1C ZINC000577616585 939748106 /nfs/dbraw/zinc/74/81/06/939748106.db2.gz BKCVAKBUIIUFTR-MRXNPFEDSA-N -1 0 346.814 3.582 20 0 EHADRM CCOc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)c1 ZINC000579072846 939759667 /nfs/dbraw/zinc/75/96/67/939759667.db2.gz PBMKUIFUXDGNDG-QGZVFWFLSA-N -1 0 342.395 3.650 20 0 EHADRM CN(CC(C)(C)C)C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000579811479 939765922 /nfs/dbraw/zinc/76/59/22/939765922.db2.gz YQIAKDPIRLWJRZ-INIZCTEOSA-N -1 0 328.412 3.653 20 0 EHADRM CC(C)(C)OC1CC(CC(=O)N[C@H](C(=O)[O-])C2CCCCCC2)C1 ZINC000911782656 939782643 /nfs/dbraw/zinc/78/26/43/939782643.db2.gz XCHOFIPQGQWLEF-PGEKIEPBSA-N -1 0 339.476 3.510 20 0 EHADRM O=C([O-])[C@H](NC(=O)NC1CCCCC1)c1ccc(Cl)cc1Cl ZINC000582583178 939785500 /nfs/dbraw/zinc/78/55/00/939785500.db2.gz LSABJNZRXCKDDB-CYBMUJFWSA-N -1 0 345.226 3.751 20 0 EHADRM CC[C@@](NC(=O)CCc1cccc(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC000583059913 939788467 /nfs/dbraw/zinc/78/84/67/939788467.db2.gz LIVMDBPRIMNUBJ-IBGZPJMESA-N -1 0 345.826 3.779 20 0 EHADRM C[C@H](NC(=O)N[C@H](C(=O)[O-])c1cccs1)c1cccc(C2CC2)c1 ZINC000929040246 939798100 /nfs/dbraw/zinc/79/81/00/939798100.db2.gz WEPJBJZQJQZRBX-ZBEGNZNMSA-N -1 0 344.436 3.812 20 0 EHADRM Cc1cc(C(F)F)oc1C(=O)N[C@@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC000630187947 939814374 /nfs/dbraw/zinc/81/43/74/939814374.db2.gz DYOZXDLZEOOFNF-CYBMUJFWSA-N -1 0 337.322 3.698 20 0 EHADRM CSc1ccc(CCCC(=O)N[C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC000659161975 939848522 /nfs/dbraw/zinc/84/85/22/939848522.db2.gz OEOSZMSURRRPKH-MRXNPFEDSA-N -1 0 349.477 3.735 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)(C(=O)[O-])CC1 ZINC000659179632 939849734 /nfs/dbraw/zinc/84/97/34/939849734.db2.gz JNXPIHQQTKMAEG-ASHKBJFXSA-N -1 0 335.366 3.505 20 0 EHADRM C[C@@H](NC(=O)[C@H](C(=O)[O-])C1CC1)c1ccc(Cl)c2ccccc21 ZINC000663046639 939851130 /nfs/dbraw/zinc/85/11/30/939851130.db2.gz ASUQIANOIVUATL-QLJPJBMISA-N -1 0 331.799 3.781 20 0 EHADRM Cc1cc(CCCC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)c(C)s1 ZINC000678977743 939868270 /nfs/dbraw/zinc/86/82/70/939868270.db2.gz OLJPWJUGKFQYBP-LJQANCHMSA-N -1 0 345.464 3.804 20 0 EHADRM O=C([O-])[C@@]1(NC(=O)Nc2ccc(F)c(Cl)c2)CCc2ccccc21 ZINC000683921803 939871247 /nfs/dbraw/zinc/87/12/47/939871247.db2.gz BYHXMKINGZTMQJ-QGZVFWFLSA-N -1 0 348.761 3.527 20 0 EHADRM O=C([O-])[C@]1(NC(=O)Nc2cccc3ccccc32)CCc2ccccc21 ZINC000683921542 939871287 /nfs/dbraw/zinc/87/12/87/939871287.db2.gz RSBINBRECZSQOL-NRFANRHFSA-N -1 0 346.386 3.888 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCc1ccc([N+](=O)[O-])cc1Cl ZINC000321425064 970770134 /nfs/dbraw/zinc/77/01/34/970770134.db2.gz KZIHJCXUDADAKW-UHFFFAOYSA-N -1 0 337.715 3.534 20 0 EHADRM Cc1onc(-c2cccc(F)c2)c1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001600862659 970873696 /nfs/dbraw/zinc/87/36/96/970873696.db2.gz VQFBTKFUOKCTGR-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM O=C([O-])c1cccc(-c2nc(Cc3cccc(Cl)c3F)no2)c1 ZINC000322389094 970881452 /nfs/dbraw/zinc/88/14/52/970881452.db2.gz QBRHFIXPCYDIEP-UHFFFAOYSA-N -1 0 332.718 3.818 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)Nc1ccccc1SC(F)F ZINC000322340691 970875114 /nfs/dbraw/zinc/87/51/14/970875114.db2.gz CXLWCCPEKWXGMD-UHFFFAOYSA-N -1 0 337.347 3.881 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)Nc1ccc(Cl)cc1)C2 ZINC000322351798 970875799 /nfs/dbraw/zinc/87/57/99/970875799.db2.gz DSCGGPLOPXRGKK-UHFFFAOYSA-N -1 0 330.771 3.628 20 0 EHADRM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1sc2ccccc2c1Cl ZINC000322635367 970913311 /nfs/dbraw/zinc/91/33/11/970913311.db2.gz SFIDLBWNDJOSIJ-BFVZDQMLSA-N -1 0 349.839 3.880 20 0 EHADRM CCCC[C@H](CC)CNC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000322749585 970926018 /nfs/dbraw/zinc/92/60/18/970926018.db2.gz BSYMFHYXBFZSJP-GJZGRUSLSA-N -1 0 326.481 3.735 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)Cc1cccc(Cl)c1Cl ZINC001601367051 970981663 /nfs/dbraw/zinc/98/16/63/970981663.db2.gz UGQKYIUFGOVWRP-UHFFFAOYSA-N -1 0 338.190 3.551 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000323886405 971051827 /nfs/dbraw/zinc/05/18/27/971051827.db2.gz VSGGPKVXWWQOCH-UHFFFAOYSA-N -1 0 342.738 3.544 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000323972170 971069251 /nfs/dbraw/zinc/06/92/51/971069251.db2.gz WCYPJDIFPSHTFW-UHFFFAOYSA-N -1 0 341.260 3.724 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc(CC(=O)[O-])cc2)o1 ZINC000324003220 971072640 /nfs/dbraw/zinc/07/26/40/971072640.db2.gz GQEFMGOKMSOZDT-BLLLJJGKSA-N -1 0 327.380 3.601 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)[C@H]2CCc3ccccc3C2)c1 ZINC000324128455 971087315 /nfs/dbraw/zinc/08/73/15/971087315.db2.gz VARQJQMJXLGKEQ-ZDUSSCGKSA-N -1 0 329.783 3.782 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)c1cc(Cl)c(F)cc1Cl ZINC001601949417 971092459 /nfs/dbraw/zinc/09/24/59/971092459.db2.gz YSIRJYQKIYLCDI-QMMMGPOBSA-N -1 0 334.174 3.602 20 0 EHADRM Cc1ccc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c(Cl)c1 ZINC000324207034 971096709 /nfs/dbraw/zinc/09/67/09/971096709.db2.gz ZFERHVKLDIRAMA-GFCCVEGCSA-N -1 0 329.783 3.867 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)Nc2cccc(F)c2Cl)C1 ZINC001601976003 971098504 /nfs/dbraw/zinc/09/85/04/971098504.db2.gz AZTRWKNTQFKNIK-JTQLQIEISA-N -1 0 328.771 3.588 20 0 EHADRM C[C@@H]1CCC[C@@H](CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000324230036 971098872 /nfs/dbraw/zinc/09/88/72/971098872.db2.gz GZASVOIEFNOJOB-NXEZZACHSA-N -1 0 326.343 3.611 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)[C@H](C)C1 ZINC000324273920 971104568 /nfs/dbraw/zinc/10/45/68/971104568.db2.gz OKGSIZXYNVZDST-KKZNHRDASA-N -1 0 326.343 3.609 20 0 EHADRM C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)[C@@H](C)C1 ZINC000324273922 971104732 /nfs/dbraw/zinc/10/47/32/971104732.db2.gz OKGSIZXYNVZDST-WCABBAIRSA-N -1 0 326.343 3.609 20 0 EHADRM Cc1ccc(CCC(=O)N(C)C2(C(=O)[O-])CCCCC2)cc1Cl ZINC000324391820 971115857 /nfs/dbraw/zinc/11/58/57/971115857.db2.gz NECCCNSEIQWBBK-UHFFFAOYSA-N -1 0 337.847 3.827 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000324556329 971132587 /nfs/dbraw/zinc/13/25/87/971132587.db2.gz GYBIECGVAZZLGO-UHFFFAOYSA-N -1 0 346.770 3.899 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)c1ccc2ncsc2c1 ZINC000324658412 971144511 /nfs/dbraw/zinc/14/45/11/971144511.db2.gz ZPUWNKJHSZUQEK-UHFFFAOYSA-N -1 0 338.388 3.588 20 0 EHADRM CN(Cc1cccc(C#N)c1)C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000324802619 971158076 /nfs/dbraw/zinc/15/80/76/971158076.db2.gz PUTGIWYYZMZSIB-UHFFFAOYSA-N -1 0 343.770 3.574 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@]2(C(F)(F)F)CCc3ccccc32)cc1 ZINC001602319479 971179027 /nfs/dbraw/zinc/17/90/27/971179027.db2.gz GGSWYLVKHUHJHT-KRWDZBQOSA-N -1 0 349.308 3.519 20 0 EHADRM Cc1ccc2oc(C(=O)N3CCC[C@H](C(C)(C)C(=O)[O-])C3)cc2c1 ZINC000325445875 971217266 /nfs/dbraw/zinc/21/72/66/971217266.db2.gz MXSLBUXCGIOSBL-AWEZNQCLSA-N -1 0 329.396 3.704 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)N2CC[C@@H]3CCCC[C@@H]3C2)cc1F ZINC000325538857 971225108 /nfs/dbraw/zinc/22/51/08/971225108.db2.gz GORPFEVCEXOFEG-WDEREUQCSA-N -1 0 338.354 3.707 20 0 EHADRM Cc1cccc(Cl)c1NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000325732133 971239104 /nfs/dbraw/zinc/23/91/04/971239104.db2.gz WMGVUPUXBNPAGL-AWEZNQCLSA-N -1 0 344.798 3.864 20 0 EHADRM C[C@@H](C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000326145364 971270797 /nfs/dbraw/zinc/27/07/97/971270797.db2.gz QNFXQZRNGMMHLD-SECBINFHSA-N -1 0 348.742 3.689 20 0 EHADRM Cc1ccc(NC(=O)c2cccc(OC(F)(F)F)c2)c(C(=O)[O-])c1 ZINC000326523278 971300202 /nfs/dbraw/zinc/30/02/02/971300202.db2.gz MPXRUYMYDIFWPJ-UHFFFAOYSA-N -1 0 339.269 3.844 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccc2ccccc2c1 ZINC000326577465 971304898 /nfs/dbraw/zinc/30/48/98/971304898.db2.gz AGCWWPAQLPFQEG-UHFFFAOYSA-N -1 0 341.388 3.647 20 0 EHADRM CCCc1ccccc1NC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000327117666 971368680 /nfs/dbraw/zinc/36/86/80/971368680.db2.gz IDRCVAQVRXSNEH-UHFFFAOYSA-N -1 0 338.407 3.928 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1cccc(C(F)(F)F)c1)CC2 ZINC000327260590 971380676 /nfs/dbraw/zinc/38/06/76/971380676.db2.gz VQDXDXKBEGVHGG-UHFFFAOYSA-N -1 0 349.308 3.602 20 0 EHADRM CCCOc1ccc(NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000327340820 971389861 /nfs/dbraw/zinc/38/98/61/971389861.db2.gz GJPGNMIIVWNOLF-UHFFFAOYSA-N -1 0 342.395 3.838 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001602736036 971418972 /nfs/dbraw/zinc/41/89/72/971418972.db2.gz BKUOWLFETOOXEI-GJMATORSSA-N -1 0 329.440 3.650 20 0 EHADRM CC[C@@H](CNc1nc(C)nc2sc3c(c21)CC[C@@H](C)C3)C(=O)[O-] ZINC001589555469 948789224 /nfs/dbraw/zinc/78/92/24/948789224.db2.gz TVHVJDWJZGQQOO-KOLCDFICSA-N -1 0 333.457 3.647 20 0 EHADRM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC001589560941 948808029 /nfs/dbraw/zinc/80/80/29/948808029.db2.gz CVHLEKYTOHOBDS-YJBOKZPZSA-N -1 0 335.831 3.588 20 0 EHADRM Cc1oc(CNC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)cc1C(=O)[O-] ZINC000345882372 971520113 /nfs/dbraw/zinc/52/01/13/971520113.db2.gz ANGZEOZXHHIJRA-MOPGFXCFSA-N -1 0 349.386 3.859 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)N(CCC(=O)[O-])CC(C)C ZINC000346032378 971521087 /nfs/dbraw/zinc/52/10/87/971521087.db2.gz WJIBTLUVPGHINQ-HNNXBMFYSA-N -1 0 335.444 3.538 20 0 EHADRM CCC[C@H](NC(=O)c1ccc(-c2ccc(F)cc2C)c(F)c1)C(=O)[O-] ZINC000347391972 971524905 /nfs/dbraw/zinc/52/49/05/971524905.db2.gz XZYCCDSRUUEFGT-KRWDZBQOSA-N -1 0 347.361 3.923 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)[C@H](C)Cc2cccc(Cl)c2)C1 ZINC001589583834 949020397 /nfs/dbraw/zinc/02/03/97/949020397.db2.gz FECLACSDSHBUSO-FZKQIMNGSA-N -1 0 337.847 3.622 20 0 EHADRM CC(C)COc1ccc(C2(C(=O)NCCCCC(=O)[O-])CCC2)cc1 ZINC000358653786 971532799 /nfs/dbraw/zinc/53/27/99/971532799.db2.gz ICOMKIHFBWORGT-UHFFFAOYSA-N -1 0 347.455 3.514 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001589587055 949063986 /nfs/dbraw/zinc/06/39/86/949063986.db2.gz LJOINOUYNWWKIX-TWMKSMIVSA-N -1 0 341.492 3.614 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)NCc2cccc(C(C)C)c2)C1 ZINC001589595424 949138388 /nfs/dbraw/zinc/13/83/88/949138388.db2.gz XESMWBVXEPVGAD-LJQANCHMSA-N -1 0 332.444 3.596 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2coc3ccc(Cl)cc23)cc1 ZINC001595230856 949345099 /nfs/dbraw/zinc/34/50/99/949345099.db2.gz OLHQSNFGOVQKLN-UHFFFAOYSA-N -1 0 329.739 3.714 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2(Cc3ccc(F)cc3)CC2)c(F)c1 ZINC001595236178 949407461 /nfs/dbraw/zinc/40/74/61/949407461.db2.gz POGBKHVSYBGIOP-UHFFFAOYSA-N -1 0 331.318 3.624 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1CNC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001589621594 949416896 /nfs/dbraw/zinc/41/68/96/949416896.db2.gz LQAPITXIINCXLG-IIDMSEBBSA-N -1 0 344.455 3.596 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)nc1 ZINC001595236982 949418717 /nfs/dbraw/zinc/41/87/17/949418717.db2.gz PFUUBVSTFBAVRE-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM CC[C@@H]1CCc2c(sc(NC(=O)c3ccncc3)c2C(=O)[O-])C1 ZINC001589622640 949436717 /nfs/dbraw/zinc/43/67/17/949436717.db2.gz KGNXUWBKEKUVJV-SNVBAGLBSA-N -1 0 330.409 3.609 20 0 EHADRM CC[C@H]1CCCc2sc(NC(=O)[C@@]3(C(=O)[O-])CC=CCC3)nc21 ZINC001589623760 949450045 /nfs/dbraw/zinc/45/00/45/949450045.db2.gz YTVIBMPHZMROTM-APPDUMDISA-N -1 0 334.441 3.723 20 0 EHADRM CC[C@@H]1CN(C(=O)[C@]2(C(=O)[O-])CC2(C)C)CC[C@H]1c1ccccc1 ZINC001589624089 949452559 /nfs/dbraw/zinc/45/25/59/949452559.db2.gz ACDBXHPMSZYIRF-KKVAFCGZSA-N -1 0 329.440 3.530 20 0 EHADRM C[C@](CNC(=O)Cc1cccc2ccccc21)(C(=O)[O-])c1ccccc1 ZINC000193062152 949513326 /nfs/dbraw/zinc/51/33/26/949513326.db2.gz AHCBWVJGKWYXIV-JOCHJYFZSA-N -1 0 347.414 3.541 20 0 EHADRM CCC[C@H](C(=O)NC[C@@H](C(=O)[O-])C(C)C)c1cccc(Cl)c1 ZINC001589630542 949530426 /nfs/dbraw/zinc/53/04/26/949530426.db2.gz HPJUUPZLWDQFQJ-LSDHHAIUSA-N -1 0 325.836 3.697 20 0 EHADRM O=C([O-])[C@@H]1CCCN1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000222460543 949565718 /nfs/dbraw/zinc/56/57/18/949565718.db2.gz JSJAYSXXOWKNSW-HNNXBMFYSA-N -1 0 326.352 3.560 20 0 EHADRM CCC[C@@H](NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C(C)(C)C ZINC001589633523 949574857 /nfs/dbraw/zinc/57/48/57/949574857.db2.gz BQZGEHLYJKGOIQ-XJFOESAGSA-N -1 0 326.481 3.636 20 0 EHADRM CCC[C@@H]1CCC[C@H]1C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001589637564 949631525 /nfs/dbraw/zinc/63/15/25/949631525.db2.gz KRIHFZUQTXOCPG-GHMZBOCLSA-N -1 0 337.441 3.674 20 0 EHADRM CCCCCCO[C@H](C)C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC001589645813 949733419 /nfs/dbraw/zinc/73/34/19/949733419.db2.gz SCVPPVGQNSKLBT-GDBMZVCRSA-N -1 0 333.428 3.577 20 0 EHADRM Cc1sc(NC(=O)c2coc(Br)c2)c(C(=O)[O-])c1C ZINC000379168906 971608179 /nfs/dbraw/zinc/60/81/79/971608179.db2.gz NLFUPCCAVPMPCZ-UHFFFAOYSA-N -1 0 344.186 3.671 20 0 EHADRM CCCCO[C@H]1C[C@@H](NC(=O)C2(C(=O)[O-])CCCCCC2)C1(C)C ZINC001589652970 949791935 /nfs/dbraw/zinc/79/19/35/949791935.db2.gz OTYGZEUGKDHTGI-CABCVRRESA-N -1 0 339.476 3.512 20 0 EHADRM CCCCOc1ccc(C(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])c(Cl)c1 ZINC001589654531 949806025 /nfs/dbraw/zinc/80/60/25/949806025.db2.gz QPYXGLKNBJSWLE-IAQYHMDHSA-N -1 0 339.819 3.597 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)c1ccc(OCC2CCCCC2)cc1)C1CC1 ZINC001602815410 971617600 /nfs/dbraw/zinc/61/76/00/971617600.db2.gz TWSJCIFCAJICQF-AWEZNQCLSA-N -1 0 345.439 3.723 20 0 EHADRM Cc1cc2occ(CC(=O)N[C@@H](C(=O)[O-])C(C)C)c2cc1C(C)C ZINC000236621514 949926051 /nfs/dbraw/zinc/92/60/51/949926051.db2.gz XGDDOXBIVLNGBQ-GOSISDBHSA-N -1 0 331.412 3.633 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCc1ccccc1-c1ccc(Cl)cc1 ZINC000262081704 950060849 /nfs/dbraw/zinc/06/08/49/950060849.db2.gz KUEGXVOGKIRFKN-DLBZAZTESA-N -1 0 343.810 3.734 20 0 EHADRM CCCSc1ccc(COC(=O)c2ccc(C(=O)[O-])cn2)cc1 ZINC001589686438 950079149 /nfs/dbraw/zinc/07/91/49/950079149.db2.gz GPGDXGYIKJIHPT-UHFFFAOYSA-N -1 0 331.393 3.639 20 0 EHADRM CCCc1nc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)co1 ZINC001589691595 950119393 /nfs/dbraw/zinc/11/93/93/950119393.db2.gz PQRCFUHXJXWRHX-UHFFFAOYSA-N -1 0 334.397 3.518 20 0 EHADRM CC(C)(CCNC(=O)c1ccc(SC(F)(F)F)cc1)C(=O)[O-] ZINC000262418282 950120534 /nfs/dbraw/zinc/12/05/34/950120534.db2.gz DTVGCYICSPBXCN-UHFFFAOYSA-N -1 0 335.347 3.529 20 0 EHADRM CC(C)(CCNC(=O)c1ccccc1CCc1ccccc1)C(=O)[O-] ZINC000262891324 950181318 /nfs/dbraw/zinc/18/13/18/950181318.db2.gz CXMORBDISUVTIP-UHFFFAOYSA-N -1 0 339.435 3.703 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)s2)CC[C@H]1C(=O)[O-] ZINC000262943292 950196336 /nfs/dbraw/zinc/19/63/36/950196336.db2.gz KVXZJYODLITBJP-BXUZGUMPSA-N -1 0 347.411 3.737 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)C(=O)[O-] ZINC000263037779 950226963 /nfs/dbraw/zinc/22/69/63/950226963.db2.gz DIGYBYIHWFGSSF-CYBMUJFWSA-N -1 0 349.475 3.525 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000263040422 950227821 /nfs/dbraw/zinc/22/78/21/950227821.db2.gz CFOXMNMGNMFXNK-IUCAKERBSA-N -1 0 331.199 3.568 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc3c4c(cccc42)CC3)C1 ZINC000263048311 950231955 /nfs/dbraw/zinc/23/19/55/950231955.db2.gz DEVPKTOCJPRWMZ-WFASDCNBSA-N -1 0 338.407 3.513 20 0 EHADRM C[C@@H](C(=O)NCCC(C)(C)C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000263088421 950257547 /nfs/dbraw/zinc/25/75/47/950257547.db2.gz SMBNKYAZXSCNJU-SECBINFHSA-N -1 0 332.227 3.714 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccccc2OC2CCCC2)C1 ZINC000263175794 950311364 /nfs/dbraw/zinc/31/13/64/950311364.db2.gz SSKLHYFGFDBUTC-KGLIPLIRSA-N -1 0 346.427 3.583 20 0 EHADRM COc1ccc(CCCCCC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)cc1 ZINC000263178135 950312069 /nfs/dbraw/zinc/31/20/69/950312069.db2.gz JZQOTYREVNALKW-DOTOQJQBSA-N -1 0 347.455 3.510 20 0 EHADRM Cc1oc2ccc(NC(=O)N3C[C@H](C)C[C@@H](C(=O)[O-])C3)cc2c1C ZINC000263195937 950320691 /nfs/dbraw/zinc/32/06/91/950320691.db2.gz WMHBWSDAWFDKBO-ZWNOBZJWSA-N -1 0 330.384 3.624 20 0 EHADRM Cc1oc2ccc(NC(=O)N3C[C@H](C(=O)[O-])C[C@H](C)C3)cc2c1C ZINC000263195931 950321398 /nfs/dbraw/zinc/32/13/98/950321398.db2.gz WMHBWSDAWFDKBO-GXFFZTMASA-N -1 0 330.384 3.624 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000263249212 950339906 /nfs/dbraw/zinc/33/99/06/950339906.db2.gz SOQRWGADNUIETI-BXUZGUMPSA-N -1 0 343.345 3.507 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263302527 950357718 /nfs/dbraw/zinc/35/77/18/950357718.db2.gz GTOHFZUCHXQPHN-MRVWCRGKSA-N -1 0 344.411 3.554 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2sccc2-c2ccccc2)C1 ZINC000263326339 950373705 /nfs/dbraw/zinc/37/37/05/950373705.db2.gz KPXMLODQTBHFQA-TZMCWYRMSA-N -1 0 329.421 3.598 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263369744 950409778 /nfs/dbraw/zinc/40/97/78/950409778.db2.gz VADRRTLTFAHOFI-KOLCDFICSA-N -1 0 335.400 3.532 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000263522422 950501990 /nfs/dbraw/zinc/50/19/90/950501990.db2.gz RRXTUYGVWFZVMY-ONGXEEELSA-N -1 0 335.787 3.720 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)Oc2cccc(-c3ccncc3)c2)co1 ZINC001594972855 950875400 /nfs/dbraw/zinc/87/54/00/950875400.db2.gz ZHGCJMIDVMHPJP-PLNGDYQASA-N -1 0 335.315 3.659 20 0 EHADRM CC[C@@H](CNC(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)[O-] ZINC000319278653 950953018 /nfs/dbraw/zinc/95/30/18/950953018.db2.gz MIMCJUBPOJEWII-ZETCQYMHSA-N -1 0 338.713 3.591 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cc(Cl)nc(C3CC3)c2)CCCCC1 ZINC001594980093 950979972 /nfs/dbraw/zinc/97/99/72/950979972.db2.gz IDJONAYEBVLWLD-UHFFFAOYSA-N -1 0 336.819 3.520 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)c(C)s1 ZINC000320513520 950993262 /nfs/dbraw/zinc/99/32/62/950993262.db2.gz LAUSAHSJAQTZAK-TZMCWYRMSA-N -1 0 338.473 3.712 20 0 EHADRM O=C([O-])CC1(c2nc(-c3ccc(C(F)(F)F)s3)no2)CCC1 ZINC001594984718 951014269 /nfs/dbraw/zinc/01/42/69/951014269.db2.gz MTJFCWDOOMUPCL-UHFFFAOYSA-N -1 0 332.303 3.713 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)s1 ZINC000325724225 951090646 /nfs/dbraw/zinc/09/06/46/951090646.db2.gz NVYRIQQVQYHZPW-SWLSCSKDSA-N -1 0 344.436 3.511 20 0 EHADRM Cc1cc(C(=O)N2CCCc3cc(C(=O)[O-])ccc32)c(F)cc1F ZINC000326226470 951097204 /nfs/dbraw/zinc/09/72/04/951097204.db2.gz BPSQSTHGYZIANS-UHFFFAOYSA-N -1 0 331.318 3.564 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)c1 ZINC000326568305 951101092 /nfs/dbraw/zinc/10/10/92/951101092.db2.gz FBJOGGMVSXOGQM-UHFFFAOYSA-N -1 0 349.730 3.519 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2sccc2OC(F)F)c1 ZINC000344045981 951132703 /nfs/dbraw/zinc/13/27/03/951132703.db2.gz LTJNRGIRMVGTBD-UHFFFAOYSA-N -1 0 341.335 3.619 20 0 EHADRM O=C([O-])c1ccc(Br)c(NC(=O)C(C2CC2)C2CC2)c1 ZINC000380389929 951188550 /nfs/dbraw/zinc/18/85/50/951188550.db2.gz XSGBIPDATFKRSW-UHFFFAOYSA-N -1 0 338.201 3.522 20 0 EHADRM O=C([O-])CC[C@H]1C[C@@H](C(=O)Oc2ccc(-c3ccccc3)cc2)CO1 ZINC001595007855 951225645 /nfs/dbraw/zinc/22/56/45/951225645.db2.gz ZDOULSUHXUTXIC-AEFFLSMTSA-N -1 0 340.375 3.529 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)CCSCc1ccccc1 ZINC001595008115 951228297 /nfs/dbraw/zinc/22/82/97/951228297.db2.gz DNAQYKBGHIDRRI-INIZCTEOSA-N -1 0 335.469 3.556 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccc(F)c(C(F)F)c1 ZINC001595012160 951255373 /nfs/dbraw/zinc/25/53/73/951255373.db2.gz QUZOHLGNFDEZMV-LLVKDONJSA-N -1 0 329.318 3.623 20 0 EHADRM O=C([O-])CCCCNc1ncc(Br)cc1C(F)(F)F ZINC000386752275 951303377 /nfs/dbraw/zinc/30/33/77/951303377.db2.gz GODRASJEXDEQBK-UHFFFAOYSA-N -1 0 341.127 3.530 20 0 EHADRM O=C([O-])C1(NC(=O)CSc2ccc(Cl)cc2)CCCCCC1 ZINC000386822250 951304989 /nfs/dbraw/zinc/30/49/89/951304989.db2.gz QLNGQJTYNDORFD-UHFFFAOYSA-N -1 0 341.860 3.726 20 0 EHADRM C[C@H]1CN(Cc2ccc(Br)c(Cl)c2)CC[C@@H]1C(=O)[O-] ZINC000388376834 951330388 /nfs/dbraw/zinc/33/03/88/951330388.db2.gz MZBPTDATYZIFFJ-ONGXEEELSA-N -1 0 346.652 3.645 20 0 EHADRM Cn1c(Cl)c(Cl)cc1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000388516650 951331778 /nfs/dbraw/zinc/33/17/78/951331778.db2.gz PUGXYRUMRJSAQV-UHFFFAOYSA-N -1 0 341.194 3.601 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2nc(C(C)(C)C)cs2)C1 ZINC000389982192 951365407 /nfs/dbraw/zinc/36/54/07/951365407.db2.gz YDRKJGBOEKRBDY-MRXNPFEDSA-N -1 0 339.461 3.549 20 0 EHADRM O=C([O-])CCCNC(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC001595050290 951467646 /nfs/dbraw/zinc/46/76/46/951467646.db2.gz UDMZRBJGQHCJDK-UHFFFAOYSA-N -1 0 349.774 3.514 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)N2CC=C(c3ccccc3)C2)c1 ZINC001595065094 951538751 /nfs/dbraw/zinc/53/87/51/951538751.db2.gz BQMOPANYQFYDJA-UHFFFAOYSA-N -1 0 336.391 3.635 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3)C1CCC1 ZINC001595068280 951578696 /nfs/dbraw/zinc/57/86/96/951578696.db2.gz NPMMPQJYOGUIPS-UHFFFAOYSA-N -1 0 340.423 3.516 20 0 EHADRM CC[C@H](CC(F)(F)F)C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000402538849 953355897 /nfs/dbraw/zinc/35/58/97/953355897.db2.gz ZJBWQVSOIMKLFA-ZYHUDNBSSA-N -1 0 329.318 3.570 20 0 EHADRM O=C([O-])C1(CNC(=O)c2cccc(-c3c(F)cccc3F)c2)CCC1 ZINC001594741174 953362924 /nfs/dbraw/zinc/36/29/24/953362924.db2.gz GLFJSMGPLPNWGB-UHFFFAOYSA-N -1 0 345.345 3.617 20 0 EHADRM O=C([O-])c1ccc(Br)c(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000403254432 953367698 /nfs/dbraw/zinc/36/76/98/953367698.db2.gz VQSUNTBBXYKBJL-NGZCFLSTSA-N -1 0 338.201 3.522 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCC[C@H]2c2ccccc2)C1 ZINC001594752082 953453645 /nfs/dbraw/zinc/45/36/45/953453645.db2.gz WEOZRMKUURUKID-MHORFTMASA-N -1 0 329.440 3.578 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)NCCC(C)(C)C(=O)[O-])c1C ZINC000424409703 953473822 /nfs/dbraw/zinc/47/38/22/953473822.db2.gz XONYWBMXCZQPKS-MRXNPFEDSA-N -1 0 332.444 3.651 20 0 EHADRM CCC(CC)(CNC(=O)N1C[C@H](C)C[C@H]1c1ccccc1)C(=O)[O-] ZINC000424435046 953487078 /nfs/dbraw/zinc/48/70/78/953487078.db2.gz URFYXSMEBWUDSE-ZBFHGGJFSA-N -1 0 332.444 3.670 20 0 EHADRM CC(C)C[C@H](NC(=O)C[C@@H](C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000431447911 953500954 /nfs/dbraw/zinc/50/09/54/953500954.db2.gz WKGUONBYOMVXPC-WFASDCNBSA-N -1 0 325.836 3.524 20 0 EHADRM CC(C)(CCNC(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)C(=O)[O-] ZINC000455897216 953518034 /nfs/dbraw/zinc/51/80/34/953518034.db2.gz LZCGCSLYTCMENP-UHFFFAOYSA-N -1 0 343.210 3.705 20 0 EHADRM CC[C@H](NC(=O)Nc1nc(C2CCCCCC2)cs1)C(=O)[O-] ZINC001593620584 953526116 /nfs/dbraw/zinc/52/61/16/953526116.db2.gz IRDPEAGBZRHLTI-NSHDSACASA-N -1 0 325.434 3.566 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2ccc(OCC(F)(F)F)cc2)c1 ZINC000481966139 953527727 /nfs/dbraw/zinc/52/77/27/953527727.db2.gz TUAUYYTZZXUTCY-UHFFFAOYSA-N -1 0 339.269 3.578 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000516866953 953542678 /nfs/dbraw/zinc/54/26/78/953542678.db2.gz BTYKYTSKXNPGPA-MFKMUULPSA-N -1 0 341.860 3.635 20 0 EHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1 ZINC001593642369 953658693 /nfs/dbraw/zinc/65/86/93/953658693.db2.gz IRZVKGACOZVOIG-IPMKNSEASA-N -1 0 337.419 3.603 20 0 EHADRM C[C@H]1CC/C(=C/C(=O)Nc2scc(-c3cnn(C)c3)c2C(=O)[O-])C1 ZINC001589299415 953681041 /nfs/dbraw/zinc/68/10/41/953681041.db2.gz KGGUJMMNMCBDDL-OYUORYAFSA-N -1 0 345.424 3.532 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccccc1CCC(F)(F)F ZINC001589305360 953733538 /nfs/dbraw/zinc/73/35/38/953733538.db2.gz NSRHPIQKJCFQRH-YPMHNXCESA-N -1 0 343.345 3.507 20 0 EHADRM O=C(Nc1cccc(COC2CCCCC2)c1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594810576 953812819 /nfs/dbraw/zinc/81/28/19/953812819.db2.gz KSZNSTLMARIISF-KOMQPUFPSA-N -1 0 346.427 3.521 20 0 EHADRM C[C@H]1CN(C(=O)NC2CCC3(CCCCC3)CC2)CC[C@@H]1C(=O)[O-] ZINC000626760688 953814250 /nfs/dbraw/zinc/81/42/50/953814250.db2.gz NKVMHRSQGPGNDT-HOCLYGCPSA-N -1 0 336.476 3.632 20 0 EHADRM CC(C)(CCNC(=O)N[C@H]1CCCc2ccc(Cl)cc21)C(=O)[O-] ZINC000626768698 953816799 /nfs/dbraw/zinc/81/67/99/953816799.db2.gz NTEXUCQKEHVSJF-AWEZNQCLSA-N -1 0 338.835 3.518 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 ZINC001602969621 971961975 /nfs/dbraw/zinc/96/19/75/971961975.db2.gz ADMJKLGNYNOTQI-HNNXBMFYSA-N -1 0 344.436 3.594 20 0 EHADRM O=C([O-])CCCCC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000630288739 953850317 /nfs/dbraw/zinc/85/03/17/953850317.db2.gz DMKGOMSLHKUWHZ-LBPRGKRZSA-N -1 0 335.297 3.580 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])cn1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000630294852 953850463 /nfs/dbraw/zinc/85/04/63/953850463.db2.gz ONSLMAYETXBZGC-AEFFLSMTSA-N -1 0 338.407 3.578 20 0 EHADRM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001589320754 953869175 /nfs/dbraw/zinc/86/91/75/953869175.db2.gz AWUNWRHNEITIDO-BXKDBHETSA-N -1 0 343.782 3.711 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2ccc(OCc3cccnc3)cc2)c1 ZINC000643157398 953901489 /nfs/dbraw/zinc/90/14/89/953901489.db2.gz LSJGEIJDWVPENQ-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM C[C@H](C(=O)N1CCC[C@H](C)[C@@H]1C(=O)[O-])c1ccccc1C(F)(F)F ZINC000643865963 953913256 /nfs/dbraw/zinc/91/32/56/953913256.db2.gz LIHINWNMLVDCIB-COPLHBTASA-N -1 0 343.345 3.521 20 0 EHADRM C[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3)s2)[C@H]1C(=O)[O-] ZINC001589329629 953943195 /nfs/dbraw/zinc/94/31/95/953943195.db2.gz NWYPOXFTJRUVTH-BLLLJJGKSA-N -1 0 329.421 3.740 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)Nc2ccccc2OC2CCCC2)CC1 ZINC000647693022 953963803 /nfs/dbraw/zinc/96/38/03/953963803.db2.gz LLHLESQOEPZMDJ-UHFFFAOYSA-N -1 0 346.427 3.727 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1cc(Br)c2ccccc2c1)C1CC1 ZINC001594835301 954021443 /nfs/dbraw/zinc/02/14/43/954021443.db2.gz CXTPLPYYBKHNDC-CQSZACIVSA-N -1 0 348.196 3.652 20 0 EHADRM C[C@@H]1CCN(C(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)C[C@@H]1C(=O)[O-] ZINC001589343552 954033161 /nfs/dbraw/zinc/03/31/61/954033161.db2.gz HUYICUXUTZFQME-DDBAPUKQSA-N -1 0 329.440 3.530 20 0 EHADRM O=C([O-])[C@@H](C(=O)O[C@@H]1CCc2c1cc(Cl)cc2Cl)C1CC1 ZINC001594837916 954044891 /nfs/dbraw/zinc/04/48/91/954044891.db2.gz KAFNCQBKIBXTCS-OLZOCXBDSA-N -1 0 329.179 3.635 20 0 EHADRM Cc1ccc(CCCC(=O)NC[C@H](CC(=O)[O-])CC(C)C)s1 ZINC000652088424 954046461 /nfs/dbraw/zinc/04/64/61/954046461.db2.gz OTVAWCHCBIJGQH-AWEZNQCLSA-N -1 0 325.474 3.632 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@@H](C)c1ccc(Cl)cc1)CC(=O)[O-] ZINC000652089919 954047972 /nfs/dbraw/zinc/04/79/72/954047972.db2.gz OWXODZYSXHYTOC-STQMWFEESA-N -1 0 325.836 3.697 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc3cc(C(C)(C)C)ccc3[nH]2)C[C@H]1C(=O)[O-] ZINC001589348287 954066931 /nfs/dbraw/zinc/06/69/31/954066931.db2.gz RNWQLYKQBBVWAN-IUODEOHRSA-N -1 0 342.439 3.648 20 0 EHADRM O=C([O-])[C@@H](Sc1n[nH]c(-c2cc(Cl)cc(Cl)c2)n1)C1CC1 ZINC001594842347 954090154 /nfs/dbraw/zinc/09/01/54/954090154.db2.gz CPFFESYWWPCSMO-JTQLQIEISA-N -1 0 344.223 3.734 20 0 EHADRM O=C([O-])[C@H](Sc1n[nH]c(-c2cc(Cl)cc(Cl)c2)n1)C1CC1 ZINC001594842348 954090191 /nfs/dbraw/zinc/09/01/91/954090191.db2.gz CPFFESYWWPCSMO-SNVBAGLBSA-N -1 0 344.223 3.734 20 0 EHADRM Cc1[nH]c2c(cc(C)cc2CNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)c1C ZINC000653302412 954112067 /nfs/dbraw/zinc/11/20/67/954112067.db2.gz QSNGHLMCXJDPRC-HXUWFJFHSA-N -1 0 340.423 3.520 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000653328739 954157504 /nfs/dbraw/zinc/15/75/04/954157504.db2.gz MGVLFAPWFBPJKC-UONOGXRCSA-N -1 0 344.436 3.618 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000653328876 954158583 /nfs/dbraw/zinc/15/85/83/954158583.db2.gz OICFQNDTDQXQKH-UGUYLWEFSA-N -1 0 341.432 3.589 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653328875 954158651 /nfs/dbraw/zinc/15/86/51/954158651.db2.gz OICFQNDTDQXQKH-QXSJWSMHSA-N -1 0 341.432 3.589 20 0 EHADRM CCOc1cc(C)ccc1NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653535795 954182130 /nfs/dbraw/zinc/18/21/30/954182130.db2.gz DKTHPXSDCFFCMU-HZSPNIEDSA-N -1 0 348.443 3.651 20 0 EHADRM Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC(CCC(=O)[O-])CC2)cc1C ZINC000659142550 954311086 /nfs/dbraw/zinc/31/10/86/954311086.db2.gz DWQUQQHXOGSBGU-ZWKOTPCHSA-N -1 0 329.440 3.510 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccccc2COC(C)(C)C)CC[C@@H]1C(=O)[O-] ZINC001589387573 954312187 /nfs/dbraw/zinc/31/21/87/954312187.db2.gz NAHDPRMUHPUZKY-HIFRSBDPSA-N -1 0 348.443 3.576 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)Cc2cccc(Cl)c2Cl)CC1 ZINC000659774527 954370295 /nfs/dbraw/zinc/37/02/95/954370295.db2.gz MIIBMBJFPIQQEB-UHFFFAOYSA-N -1 0 344.238 3.639 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Oc2ccc(F)c(C(F)(F)F)c2)CC=CCC1 ZINC001594879310 954405372 /nfs/dbraw/zinc/40/53/72/954405372.db2.gz WDYJOJSQUCIGNK-CQSZACIVSA-N -1 0 332.249 3.561 20 0 EHADRM O=C([O-])C1(c2noc(-c3ccc(Oc4ccccc4)o3)n2)CCC1 ZINC001594887926 954481110 /nfs/dbraw/zinc/48/11/10/954481110.db2.gz YNFPITBUJKLKAG-UHFFFAOYSA-N -1 0 326.308 3.628 20 0 EHADRM C[C@@H](NC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000663120845 954514058 /nfs/dbraw/zinc/51/40/58/954514058.db2.gz ABDYGGZSYVAFBT-NJMOYASZSA-N -1 0 349.393 3.607 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000663121294 954515553 /nfs/dbraw/zinc/51/55/53/954515553.db2.gz XODOPJPEHWASEV-ZSYWTGECSA-N -1 0 335.403 3.528 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ncsc1C(C)C)CC(=O)[O-] ZINC000663358009 954542264 /nfs/dbraw/zinc/54/22/64/954542264.db2.gz LTVYPYQAEUILSK-NSHDSACASA-N -1 0 327.450 3.525 20 0 EHADRM CC(C)C1(CNC(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)CC1 ZINC000666534457 954550615 /nfs/dbraw/zinc/55/06/15/954550615.db2.gz PHBSMQMRSYKAPL-UHFFFAOYSA-N -1 0 344.455 3.710 20 0 EHADRM COC[C@@H](Nc1cccc(C(=O)[O-])n1)c1cccc(C(F)(F)F)c1 ZINC000668140058 954565739 /nfs/dbraw/zinc/56/57/39/954565739.db2.gz FVMSNOWMICCCOA-CYBMUJFWSA-N -1 0 340.301 3.598 20 0 EHADRM Cc1ccc(-c2ncc(C(=O)N([C@H](C)C(=O)[O-])C3CC3)s2)c(C)c1 ZINC000675982511 954581181 /nfs/dbraw/zinc/58/11/81/954581181.db2.gz MKYOEGSRYITJFZ-GFCCVEGCSA-N -1 0 344.436 3.505 20 0 EHADRM Cc1cccc2sc(C(=O)N[C@@H](C(=O)[O-])C(C)C)c(Cl)c21 ZINC000676208962 954582719 /nfs/dbraw/zinc/58/27/19/954582719.db2.gz MHTBZIGEOIBWJB-GFCCVEGCSA-N -1 0 325.817 3.702 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)C2(c3cccs3)CCCCC2)C1 ZINC000676216055 954584228 /nfs/dbraw/zinc/58/42/28/954584228.db2.gz DVBGBALLQGUHPM-CQSZACIVSA-N -1 0 335.469 3.663 20 0 EHADRM CC/C(=C/C(=O)NCc1cccc(C(=O)[O-])c1)c1ccc(OC)cc1 ZINC001589419709 954586839 /nfs/dbraw/zinc/58/68/39/954586839.db2.gz GLHBKCXMNSTFPM-QINSGFPZSA-N -1 0 339.391 3.503 20 0 EHADRM Cc1ccc(/C=C\CC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000685025287 954608241 /nfs/dbraw/zinc/60/82/41/954608241.db2.gz ZRCAOCXCEFWGPU-NGXITPROSA-N -1 0 337.419 3.557 20 0 EHADRM CC(C)C1(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)CC1 ZINC001602993041 972028778 /nfs/dbraw/zinc/02/87/78/972028778.db2.gz FFCFYTKZQVOUDQ-UHFFFAOYSA-N -1 0 328.771 3.735 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)C(C)(C)c1ccc(Cl)c(Cl)c1 ZINC001589430919 954647634 /nfs/dbraw/zinc/64/76/34/954647634.db2.gz RMGBAKMXJPCVRY-LBPRGKRZSA-N -1 0 332.227 3.593 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2cccc(Cl)c2F)CCCCC1 ZINC000386171938 972032926 /nfs/dbraw/zinc/03/29/26/972032926.db2.gz SPDHYWXIMBMXCV-UHFFFAOYSA-N -1 0 328.771 3.778 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)c2ccccc21 ZINC001594914554 954730985 /nfs/dbraw/zinc/73/09/85/954730985.db2.gz KLVSDNOFENQBIF-NTZNESFSSA-N -1 0 341.329 3.570 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)[C@@H]2Cc3ccccc3S2)c1 ZINC000386251223 972039134 /nfs/dbraw/zinc/03/91/34/972039134.db2.gz VUNDDJALANNZOB-AWEZNQCLSA-N -1 0 333.796 3.694 20 0 EHADRM CC[C@](C)(NC(=O)NCc1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001589450798 954797430 /nfs/dbraw/zinc/79/74/30/954797430.db2.gz IKGLOWGJXVHRJF-IBGZPJMESA-N -1 0 344.386 3.649 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)c2ccccc21 ZINC001594925980 954818090 /nfs/dbraw/zinc/81/80/90/954818090.db2.gz YHOHZAHZPFPZLI-AWEZNQCLSA-N -1 0 338.338 3.526 20 0 EHADRM CC[C@H](C)[C@H]1CCCCN1C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001589457057 954836116 /nfs/dbraw/zinc/83/61/16/954836116.db2.gz CTWRFXNAGXOULI-XAUMDUMWSA-N -1 0 346.471 3.639 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001589463647 954876593 /nfs/dbraw/zinc/87/65/93/954876593.db2.gz GYLSVQHIBOAMGO-YXVBKTCISA-N -1 0 340.379 3.609 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N(C)[C@H](CCc1ccccc1)C(F)F ZINC001589467011 954911521 /nfs/dbraw/zinc/91/15/21/954911521.db2.gz NDYVCRBSHJWIIU-CQSZACIVSA-N -1 0 341.398 3.602 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N1CCC(c2ccc(F)cc2C)CC1 ZINC001589470203 954917512 /nfs/dbraw/zinc/91/75/12/954917512.db2.gz BPIASQLBFOCJNZ-UHFFFAOYSA-N -1 0 335.419 3.731 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)OCc1cccc(Br)c1C ZINC001589481035 954972280 /nfs/dbraw/zinc/97/22/80/954972280.db2.gz GJRZSAYNERKNAZ-UHFFFAOYSA-N -1 0 343.217 3.692 20 0 EHADRM O=C([O-])[C@H]1CN(c2nc3cccc(F)c3s2)Cc2ccccc21 ZINC001594954515 954976456 /nfs/dbraw/zinc/97/64/56/954976456.db2.gz HPTOECMCSVDREU-LBPRGKRZSA-N -1 0 328.368 3.624 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)O[C@H](C)c1ccc(C(F)(F)F)nc1 ZINC001589484522 954991402 /nfs/dbraw/zinc/99/14/02/954991402.db2.gz WEQWZQAVKRRAQZ-SECBINFHSA-N -1 0 333.306 3.596 20 0 EHADRM CC(C)C[C@@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC001603011671 972064262 /nfs/dbraw/zinc/06/42/62/972064262.db2.gz BNGCLIARORSQLX-NSHDSACASA-N -1 0 347.242 3.540 20 0 EHADRM CCC(CC)[C@@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001589510756 955049412 /nfs/dbraw/zinc/04/94/12/955049412.db2.gz ZRZLTKADQFTVOY-SECBINFHSA-N -1 0 325.430 3.530 20 0 EHADRM CC[C@@H](CNC(=O)C1(C(=O)[O-])CCCCCC1)Oc1cccc(C)c1 ZINC001589519143 955084985 /nfs/dbraw/zinc/08/49/85/955084985.db2.gz WFUPFSUNNATXGP-INIZCTEOSA-N -1 0 347.455 3.694 20 0 EHADRM CC[C@H](CNC(=O)N1CCCC[C@H]1c1cccc(Cl)c1)C(=O)[O-] ZINC001589528360 955136576 /nfs/dbraw/zinc/13/65/76/955136576.db2.gz IRZSWWPAXXWWPT-DOMZBBRYSA-N -1 0 338.835 3.687 20 0 EHADRM CC[C@@H](CNC(=O)N1CCCC[C@H]1c1cccc(C)c1C)C(=O)[O-] ZINC001589529440 955143947 /nfs/dbraw/zinc/14/39/47/955143947.db2.gz VFJAPXHHOOKRQM-RDJZCZTQSA-N -1 0 332.444 3.651 20 0 EHADRM CC[C@H](CNC(=O)NCC1(c2cccc(C)c2)CCCCC1)C(=O)[O-] ZINC001589535210 955156115 /nfs/dbraw/zinc/15/61/15/955156115.db2.gz OAEAEWRLGIDPKX-MRXNPFEDSA-N -1 0 346.471 3.607 20 0 EHADRM Cc1sc(-n2cccc2)c(C(=O)Nc2ccnc(C(=O)[O-])c2)c1C ZINC001594510593 955386937 /nfs/dbraw/zinc/38/69/37/955386937.db2.gz KJWGALMUKHUWMC-UHFFFAOYSA-N -1 0 341.392 3.501 20 0 EHADRM CC(C)C[C@H](NC(=O)/C=C/c1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC001603048067 972112557 /nfs/dbraw/zinc/11/25/57/972112557.db2.gz BXWQHTVEZPCMKR-ZGKFYVQTSA-N -1 0 345.439 3.637 20 0 EHADRM O=C([O-])CCCC(=O)Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000844246519 955660898 /nfs/dbraw/zinc/66/08/98/955660898.db2.gz IMMXLBGGGJIIOQ-ZDUSSCGKSA-N -1 0 344.436 3.609 20 0 EHADRM C[C@@H](NC(=O)c1ccoc1CC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000387550013 972127012 /nfs/dbraw/zinc/12/70/12/972127012.db2.gz BKXCHNVDZQVAFR-MRVPVSSYSA-N -1 0 342.178 3.705 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)c1cc2sccc2nc1Cl ZINC000851702631 955822083 /nfs/dbraw/zinc/82/20/83/955822083.db2.gz HZFMIUPCSQWAHY-UHFFFAOYSA-N -1 0 340.832 3.523 20 0 EHADRM Cn1nc(C(=O)[O-])cc1CNc1cc(Cl)ccc1OCC1CCC1 ZINC001594572308 955904175 /nfs/dbraw/zinc/90/41/75/955904175.db2.gz SQJPLSCEZJDKSI-UHFFFAOYSA-N -1 0 349.818 3.563 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC001589088302 955917173 /nfs/dbraw/zinc/91/71/73/955917173.db2.gz PDYJFYKIUWABDD-JMCQJSRRSA-N -1 0 336.190 3.667 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC000864102439 955932582 /nfs/dbraw/zinc/93/25/82/955932582.db2.gz AUXGPMRFEQKRPS-SLWQEBJJSA-N -1 0 325.364 3.663 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)o1 ZINC000864106045 955936070 /nfs/dbraw/zinc/93/60/70/955936070.db2.gz TZRLRPVCXZGJQH-QJWNTBNXSA-N -1 0 337.375 3.670 20 0 EHADRM C[C@H](NC(=O)Nc1ccnc(C(=O)[O-])c1)c1cccc(C2CC2)c1 ZINC001589108172 956040122 /nfs/dbraw/zinc/04/01/22/956040122.db2.gz FLJZUJOUWUUNFW-NSHDSACASA-N -1 0 325.368 3.540 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC001589108606 956047080 /nfs/dbraw/zinc/04/70/80/956047080.db2.gz LHDJDOFHVVIESD-ZIAGYGMSSA-N -1 0 326.396 3.627 20 0 EHADRM C[C@](NCc1cc2cc(Cl)cnc2o1)(C(=O)[O-])c1ccccc1 ZINC001589128675 956183017 /nfs/dbraw/zinc/18/30/17/956183017.db2.gz LIPYDTSOKSZKFK-QGZVFWFLSA-N -1 0 330.771 3.571 20 0 EHADRM C[C@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@@H](C(=O)[O-])C1 ZINC000388310527 972164951 /nfs/dbraw/zinc/16/49/51/972164951.db2.gz DURGRMBHIZJIPA-GXSJLCMTSA-N -1 0 337.828 3.880 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1c1nc(-c2cccnc2)nc2ccccc21 ZINC000886916227 956247917 /nfs/dbraw/zinc/24/79/17/956247917.db2.gz QSESBYFCVLZLMD-HNNXBMFYSA-N -1 0 348.406 3.525 20 0 EHADRM CC(C)c1ccc(CC2CCN(C(=O)[C@]3(C(=O)[O-])C[C@H]3C)CC2)cc1 ZINC001603100577 972177077 /nfs/dbraw/zinc/17/70/77/972177077.db2.gz UCCBNGRLRFMZNP-VFNWGFHPSA-N -1 0 343.467 3.702 20 0 EHADRM CC(C)c1cnc(NC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC001603105761 972178398 /nfs/dbraw/zinc/17/83/98/972178398.db2.gz LASWBXAVYRNNOX-CHWSQXEVSA-N -1 0 345.424 3.701 20 0 EHADRM Cc1ccccc1C1CCN(C(=O)c2coc(/C=C\C(=O)[O-])c2)CC1 ZINC000901613033 956374757 /nfs/dbraw/zinc/37/47/57/956374757.db2.gz GEQYIGSPIOLFFR-SREVYHEPSA-N -1 0 339.391 3.706 20 0 EHADRM C[C@@H](Oc1cccc(Cl)c1)C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001589167470 956432452 /nfs/dbraw/zinc/43/24/52/956432452.db2.gz NTGDZNJWDPUEBW-LLVKDONJSA-N -1 0 334.755 3.549 20 0 EHADRM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC1(C(=O)[O-])CCCCC1 ZINC001589167591 956433991 /nfs/dbraw/zinc/43/39/91/956433991.db2.gz HRKFGZKKKNTRMM-AWEZNQCLSA-N -1 0 347.455 3.655 20 0 EHADRM CC(C)(CCc1ccccc1)NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC000901747534 956451603 /nfs/dbraw/zinc/45/16/03/956451603.db2.gz IJAOFWZJXIWQLK-CMDGGOBGSA-N -1 0 327.380 3.519 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)Nc1ncccc1C(=O)[O-] ZINC001589173403 956477150 /nfs/dbraw/zinc/47/71/50/956477150.db2.gz XQDSUFJTBFCOEO-SECBINFHSA-N -1 0 336.800 3.553 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)Nc2csnc2-c2ccccc2)CC1 ZINC001589193593 956604392 /nfs/dbraw/zinc/60/43/92/956604392.db2.gz FRQNPMGIZVQMIG-UHFFFAOYSA-N -1 0 345.424 3.529 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CC2(CCC2)c2c1cccc2F ZINC001589201412 956637120 /nfs/dbraw/zinc/63/71/20/956637120.db2.gz QOSRJMHWOFYHBL-UHFFFAOYSA-N -1 0 345.414 3.731 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001589204951 956658059 /nfs/dbraw/zinc/65/80/59/956658059.db2.gz BSEXHJWCDDDXMP-HUUCEWRRSA-N -1 0 329.440 3.576 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)Nc1cscc1Br ZINC001589207355 956675181 /nfs/dbraw/zinc/67/51/81/956675181.db2.gz ZDVFEBMCLLJFFG-UHFFFAOYSA-N -1 0 346.246 3.586 20 0 EHADRM O=C([O-])c1c(NC(=O)CC2CC(F)(F)C2)sc2c1CCCC2 ZINC001594678406 956678801 /nfs/dbraw/zinc/67/88/01/956678801.db2.gz PKPQPEDBDROUAR-UHFFFAOYSA-N -1 0 329.368 3.699 20 0 EHADRM CC1(C)C[C@@H](NC(=O)c2coc(/C=C/C(=O)[O-])c2)c2ccccc21 ZINC001589211030 956687861 /nfs/dbraw/zinc/68/78/61/956687861.db2.gz DDMNMUVULPQCJK-KXPUMZMLSA-N -1 0 325.364 3.530 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC001589218561 956744792 /nfs/dbraw/zinc/74/47/92/956744792.db2.gz SEJFMHMGZYDJHG-IBGZPJMESA-N -1 0 345.395 3.558 20 0 EHADRM O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)[C@@H]2CCCC23CC3)C1 ZINC000902818840 956806691 /nfs/dbraw/zinc/80/66/91/956806691.db2.gz BVTTWMNKYQFHMG-ZBFHGGJFSA-N -1 0 327.424 3.637 20 0 EHADRM Cc1ccccc1CSCC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000008906307 956887150 /nfs/dbraw/zinc/88/71/50/956887150.db2.gz BHFBEMMONUFHNC-UHFFFAOYSA-N -1 0 329.421 3.874 20 0 EHADRM CC1(NC(=O)Nc2ccc(C(=O)[O-])cc2F)CCC(F)(F)CC1 ZINC001589246022 956919546 /nfs/dbraw/zinc/91/95/46/956919546.db2.gz DAGORYPASJFCFY-UHFFFAOYSA-N -1 0 330.306 3.613 20 0 EHADRM Cc1cc(C(C)(C)C)ccc1OS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000013067286 956923790 /nfs/dbraw/zinc/92/37/90/956923790.db2.gz WXIWKDWGLKNSJA-UHFFFAOYSA-N -1 0 348.420 3.758 20 0 EHADRM Cc1ccc(OCC(=O)Nc2ccccc2C(C)C)c(C(=O)[O-])c1 ZINC000013085662 956937818 /nfs/dbraw/zinc/93/78/18/956937818.db2.gz HVNPYFHFYAYOJY-UHFFFAOYSA-N -1 0 327.380 3.834 20 0 EHADRM COc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)ccc1OCC(C)C ZINC000013166659 956946917 /nfs/dbraw/zinc/94/69/17/956946917.db2.gz WVMFCEXRDNZMRB-UHFFFAOYSA-N -1 0 343.379 3.681 20 0 EHADRM CCOc1ccccc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000013173732 956955087 /nfs/dbraw/zinc/95/50/87/956955087.db2.gz OLVCTVLARDESHU-HNNXBMFYSA-N -1 0 347.798 3.685 20 0 EHADRM CSCc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000013177519 956957319 /nfs/dbraw/zinc/95/73/19/956957319.db2.gz QWHMAFXQBYRWCD-INIZCTEOSA-N -1 0 347.411 3.635 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2ccccc2Cl)cc1 ZINC000013180061 956963714 /nfs/dbraw/zinc/96/37/14/956963714.db2.gz NJVMSLCAXSSGHU-MRXNPFEDSA-N -1 0 331.799 3.523 20 0 EHADRM Cc1c2ccccc2oc1C(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1 ZINC000013180466 956965703 /nfs/dbraw/zinc/96/57/03/956965703.db2.gz DTWTUQUMZWKICX-MRXNPFEDSA-N -1 0 337.375 3.995 20 0 EHADRM CCc1cccc(OCC(=O)Nc2ccc(Cl)cc2C(=O)[O-])c1 ZINC000013187559 956971486 /nfs/dbraw/zinc/97/14/86/956971486.db2.gz IRLFQWYALFDAPM-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)c1ccccc1OC(F)F ZINC000013187648 956972854 /nfs/dbraw/zinc/97/28/54/956972854.db2.gz SDIIQVCGJHGOMJ-UHFFFAOYSA-N -1 0 341.697 3.892 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC000013225139 956982917 /nfs/dbraw/zinc/98/29/17/956982917.db2.gz SYKLLBZSPGBCFX-XIRDDKMYSA-N -1 0 329.440 3.842 20 0 EHADRM Cc1nc(NC(=O)N([C@@H](C)C(=O)[O-])C2CC2)ccc1-c1ccccc1 ZINC000908675435 956993662 /nfs/dbraw/zinc/99/36/62/956993662.db2.gz PHGMJBPAYHRZIF-ZDUSSCGKSA-N -1 0 339.395 3.526 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)NC2CCCCCCC2)c2ccccc21 ZINC001594732834 957054302 /nfs/dbraw/zinc/05/43/02/957054302.db2.gz XJZQDKJUVBRWQC-IRXDYDNUSA-N -1 0 330.428 3.712 20 0 EHADRM O=C([O-])Cc1sc(NC(=O)C2CCCCC2)nc1-c1ccccc1 ZINC000031976180 957170222 /nfs/dbraw/zinc/17/02/22/957170222.db2.gz GTLPJOVKXOHIRQ-UHFFFAOYSA-N -1 0 344.436 3.956 20 0 EHADRM C[C@@H](NC(=O)c1ccccc1C(=O)[O-])c1ccc(Br)cc1 ZINC000035135343 957200173 /nfs/dbraw/zinc/20/01/73/957200173.db2.gz OGRLISYITRDQQM-SNVBAGLBSA-N -1 0 348.196 3.638 20 0 EHADRM Cc1ccc(Br)cc1NC(=O)c1ccc(C(=O)[O-])s1 ZINC000037368834 957270146 /nfs/dbraw/zinc/27/01/46/957270146.db2.gz XCTKWIZJLFRYGP-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM COc1ccc2cc(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)ccc2c1 ZINC001324647431 957309708 /nfs/dbraw/zinc/30/97/08/957309708.db2.gz WJAUTWMFDSGQPB-CQSZACIVSA-N -1 0 341.407 3.565 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@H](C)Sc1ccc(Cl)cc1 ZINC000037589916 957311686 /nfs/dbraw/zinc/31/16/86/957311686.db2.gz XIYSWDFYMJVAPG-MNOVXSKESA-N -1 0 329.849 3.532 20 0 EHADRM Cc1nc(CN[C@@](C)(C(=O)[O-])c2ccc(Cl)c(Cl)c2)cs1 ZINC000041836001 957400081 /nfs/dbraw/zinc/40/00/81/957400081.db2.gz ZEAQZELMUVUCCJ-CQSZACIVSA-N -1 0 345.251 3.848 20 0 EHADRM CC(C)(C)OC(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000069550081 957651541 /nfs/dbraw/zinc/65/15/41/957651541.db2.gz GBKJFECNCPZQCM-CQSZACIVSA-N -1 0 334.199 3.818 20 0 EHADRM O=C([O-])COc1cccc(C(=O)Oc2c(Cl)cccc2Cl)c1 ZINC001574739267 957685567 /nfs/dbraw/zinc/68/55/67/957685567.db2.gz SCBWNCPDWAVGFN-UHFFFAOYSA-N -1 0 341.146 3.676 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)CCCc2ccc(Cl)cc2)cc1 ZINC000075288862 957744078 /nfs/dbraw/zinc/74/40/78/957744078.db2.gz IRKCJSMXIUBRHV-UHFFFAOYSA-N -1 0 331.799 3.929 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N(C)CCc2ccc(Cl)cc2)c1 ZINC001594281485 957750391 /nfs/dbraw/zinc/75/03/91/957750391.db2.gz PYMFTBJFJIPEJI-UHFFFAOYSA-N -1 0 331.799 3.661 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1 ZINC001333317902 957776996 /nfs/dbraw/zinc/77/69/96/957776996.db2.gz KGXGAXHYSNKXOZ-UHFFFAOYSA-N -1 0 342.317 3.562 20 0 EHADRM O=C([O-])[C@H]1C[C@H](Nc2oc(-c3ccccc3)nc2C(F)(F)F)C1 ZINC001574788111 957793906 /nfs/dbraw/zinc/79/39/06/957793906.db2.gz MUMXAQGORHCQEU-MGCOHNPYSA-N -1 0 326.274 3.636 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC001339845557 957892431 /nfs/dbraw/zinc/89/24/31/957892431.db2.gz NBWMDKLEKLLAQE-KKXDTOCCSA-N -1 0 338.407 3.668 20 0 EHADRM CON(CC(C)(C)C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001594043353 957899784 /nfs/dbraw/zinc/89/97/84/957899784.db2.gz CSEOAEQTSHYCEY-UHFFFAOYSA-N -1 0 332.759 3.619 20 0 EHADRM Cc1c2ccccc2oc1CNC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001341244921 957956945 /nfs/dbraw/zinc/95/69/45/957956945.db2.gz RUWWVBMFRUTAHR-CQSZACIVSA-N -1 0 344.411 3.528 20 0 EHADRM Cc1cc(Cl)cc(C)c1NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001594307699 957982850 /nfs/dbraw/zinc/98/28/50/957982850.db2.gz VDRVMSDQOGHYAT-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM CC(F)(F)c1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC001603210928 972325038 /nfs/dbraw/zinc/32/50/38/972325038.db2.gz PVUAOQPNVHPDNY-QGZVFWFLSA-N -1 0 333.334 3.528 20 0 EHADRM O=C([O-])CC1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000093679160 958247405 /nfs/dbraw/zinc/24/74/05/958247405.db2.gz IKIZAFSHGAEPBC-UHFFFAOYSA-N -1 0 331.199 3.712 20 0 EHADRM COc1ccc([C@H](C)CCNC(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC001594081685 958272758 /nfs/dbraw/zinc/27/27/58/958272758.db2.gz PYLORJNAROHNCQ-CYBMUJFWSA-N -1 0 342.395 3.709 20 0 EHADRM Cc1ccc(Br)cc1CC(=O)Nc1ccccc1C(=O)[O-] ZINC001594342783 958308409 /nfs/dbraw/zinc/30/84/09/958308409.db2.gz VKPFANCRSPUPTG-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM C[C@H](NC(=O)C1(CCc2ccccc2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603219437 972338201 /nfs/dbraw/zinc/33/82/01/972338201.db2.gz VUVBYPJGDWVEBA-BHYGNILZSA-N -1 0 343.467 3.651 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ncccc2C(=O)[O-])c1 ZINC001594349094 958333282 /nfs/dbraw/zinc/33/32/82/958333282.db2.gz DNJJVQJLNQCPBC-CYBMUJFWSA-N -1 0 342.395 3.618 20 0 EHADRM Cc1sc(NC(=O)[C@@H](C)C(=O)[O-])c(C(=O)c2ccc(C)cc2)c1C ZINC001594349720 958339905 /nfs/dbraw/zinc/33/99/05/958339905.db2.gz MTEBWHYKOHVZLR-LLVKDONJSA-N -1 0 345.420 3.564 20 0 EHADRM Cc1ccc(C2(CNC(=O)[C@@H](C(=O)[O-])C3CCCC3)CCC2)cc1C ZINC001594353906 958391882 /nfs/dbraw/zinc/39/18/82/958391882.db2.gz ZTOHXYDIIBFBPO-SFHVURJKSA-N -1 0 343.467 3.732 20 0 EHADRM Cc1ccc([C@H]2CCC[C@H]2OC(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC001594354980 958406751 /nfs/dbraw/zinc/40/67/51/958406751.db2.gz YYRJNCAYWKIALR-NVXWUHKLSA-N -1 0 325.364 3.581 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)Cc1cccc(OC(C)C)c1 ZINC000120216424 958469577 /nfs/dbraw/zinc/46/95/77/958469577.db2.gz NTMBTGKVUZUWBU-UHFFFAOYSA-N -1 0 327.380 3.662 20 0 EHADRM N#Cc1ccc(Br)cc1NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000122929257 958490594 /nfs/dbraw/zinc/49/05/94/958490594.db2.gz YABXQHKDWRRFEU-CQSZACIVSA-N -1 0 345.196 3.601 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2ncccc2C(=O)[O-])c(Cl)c1 ZINC001594375670 958583364 /nfs/dbraw/zinc/58/33/64/958583364.db2.gz JGSUWEAIQWNDDL-UHFFFAOYSA-N -1 0 348.786 3.539 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)N(C)CCC(=O)[O-])cc2)cc1 ZINC001594375940 958587752 /nfs/dbraw/zinc/58/77/52/958587752.db2.gz LRJWWJJJHUXGGV-UHFFFAOYSA-N -1 0 328.368 3.726 20 0 EHADRM C/C(=C\c1ccccc1)CN(C)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001588488568 958638168 /nfs/dbraw/zinc/63/81/68/958638168.db2.gz QEHJAQOAJNXTJB-ZUJJVJDASA-N -1 0 325.364 3.553 20 0 EHADRM Cc1ccc2cccc(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c2n1 ZINC001594382518 958645689 /nfs/dbraw/zinc/64/56/89/958645689.db2.gz AISREBRPBUERMT-OAHLLOKOSA-N -1 0 328.412 3.553 20 0 EHADRM C[C@](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)(C(=O)[O-])c1ccccc1 ZINC001603234643 972364831 /nfs/dbraw/zinc/36/48/31/972364831.db2.gz RNTCMDXKWZGTOE-PSTGCABASA-N -1 0 349.839 3.621 20 0 EHADRM COc1cccc(N(CC(C)C)C(=O)/C=C\c2ccc(C(=O)[O-])o2)c1 ZINC001594130685 958662663 /nfs/dbraw/zinc/66/26/63/958662663.db2.gz OLNYMSBVEGMEGA-NTMALXAHSA-N -1 0 343.379 3.689 20 0 EHADRM Cc1nn(CC(=O)Nc2c(C)cccc2C(=O)[O-])cc1-c1ccccc1 ZINC001594391037 958720398 /nfs/dbraw/zinc/72/03/98/958720398.db2.gz PILUONRICGKCOX-UHFFFAOYSA-N -1 0 349.390 3.504 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC001573406174 958724733 /nfs/dbraw/zinc/72/47/33/958724733.db2.gz BZSKPIABCNGXFP-UHFFFAOYSA-N -1 0 349.761 3.514 20 0 EHADRM Cc1ccsc1CCCC(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1 ZINC001594391717 958733724 /nfs/dbraw/zinc/73/37/24/958733724.db2.gz KIIITDFCWCPSAA-QGZVFWFLSA-N -1 0 331.437 3.630 20 0 EHADRM Cc1ccc(CCCC(=O)N[C@H](C(=O)[O-])c2cccc(C)c2)s1 ZINC001594393342 958750604 /nfs/dbraw/zinc/75/06/04/958750604.db2.gz RYXFZZATPUHNIC-KRWDZBQOSA-N -1 0 331.437 3.630 20 0 EHADRM Cc1ccc(CC(=O)Nc2ccc(Br)c(C(=O)[O-])c2)cc1 ZINC000132350844 958782818 /nfs/dbraw/zinc/78/28/18/958782818.db2.gz SRCHQMDYPWKKBM-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM O=C([O-])C1(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)CCCCCC1 ZINC001605736037 972376223 /nfs/dbraw/zinc/37/62/23/972376223.db2.gz QZFXBJDOYGLQOS-LSDHHAIUSA-N -1 0 335.831 3.737 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)/C=C\c1ccsc1C(F)(F)F ZINC001573424441 958785173 /nfs/dbraw/zinc/78/51/73/958785173.db2.gz IVVNPCHAZGZDOB-PLNGDYQASA-N -1 0 349.374 3.739 20 0 EHADRM Cc1cccc([C@H](NC(=O)Nc2c(F)cccc2Cl)C(=O)[O-])c1 ZINC001594398225 958798086 /nfs/dbraw/zinc/79/80/86/958798086.db2.gz SGHDADSLEUJLPN-ZDUSSCGKSA-N -1 0 336.750 3.735 20 0 EHADRM Cc1cccc(NC(=O)NCCCC(=O)[O-])c1OCc1ccccc1 ZINC001594407743 958912634 /nfs/dbraw/zinc/91/26/34/958912634.db2.gz NILYKTQEUDREHG-UHFFFAOYSA-N -1 0 342.395 3.560 20 0 EHADRM Cc1cccc2c(C(=O)N3Cc4ccccc4[C@@H](C(=O)[O-])C3)coc21 ZINC001594411582 958955679 /nfs/dbraw/zinc/95/56/79/958955679.db2.gz ZCUYNHFBKWFFGM-INIZCTEOSA-N -1 0 335.359 3.565 20 0 EHADRM Cc1cccc2cc(C(=O)NCCCCCC(=O)[O-])c(Cl)nc12 ZINC001594413266 958965506 /nfs/dbraw/zinc/96/55/06/958965506.db2.gz BOPOSEWGDQNKJM-UHFFFAOYSA-N -1 0 334.803 3.571 20 0 EHADRM CC(C)=C[C@H]1[C@@H](C(=O)Nc2sc3c(c2C(=O)[O-])COCC3)C1(C)C ZINC001573484328 958984452 /nfs/dbraw/zinc/98/44/52/958984452.db2.gz HBJZMCDEKWTPKY-FZMZJTMJSA-N -1 0 349.452 3.696 20 0 EHADRM Cc1ccccc1-c1cnc(NC(=O)NC[C@@H](C(=O)[O-])C(C)C)s1 ZINC001594414193 958985823 /nfs/dbraw/zinc/98/58/23/958985823.db2.gz WFTXUFLKYVUOHQ-CYBMUJFWSA-N -1 0 347.440 3.597 20 0 EHADRM Cc1ccccc1[C@@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])COCC2 ZINC001594416037 959005964 /nfs/dbraw/zinc/00/59/64/959005964.db2.gz ZXASUMQSRKGNLT-LLVKDONJSA-N -1 0 345.420 3.570 20 0 EHADRM Cc1ccccc1CN(Cc1cc(C(=O)[O-])nn1C)Cc1ccccc1 ZINC001594417973 959027765 /nfs/dbraw/zinc/02/77/65/959027765.db2.gz HCNWROMKHRFSQK-UHFFFAOYSA-N -1 0 349.434 3.629 20 0 EHADRM Cc1ccn2cc(-c3ccc(NC(=O)C4(C(=O)[O-])CCC4)cc3)nc2c1 ZINC001594421384 959075807 /nfs/dbraw/zinc/07/58/07/959075807.db2.gz GHLODNIUFVNCJD-UHFFFAOYSA-N -1 0 349.390 3.503 20 0 EHADRM CC(C)C[C@H](CNC(=O)N(C)C[C@H](C)C1CCCCC1)C(=O)[O-] ZINC001573509391 959081516 /nfs/dbraw/zinc/08/15/16/959081516.db2.gz FGWJQVJSOQSMMR-GOEBONIOSA-N -1 0 326.481 3.591 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC001573517793 959112917 /nfs/dbraw/zinc/11/29/17/959112917.db2.gz GXKFENASMOPMGK-INIZCTEOSA-N -1 0 336.432 3.732 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)N1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC001588564123 959119984 /nfs/dbraw/zinc/11/99/84/959119984.db2.gz CKVAQVCGQUPRJB-JTQLQIEISA-N -1 0 342.222 3.720 20 0 EHADRM CSc1cc(NC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)ccc1Cl ZINC001594190036 959165828 /nfs/dbraw/zinc/16/58/28/959165828.db2.gz NVHVNMDXDKJLDD-ONGXEEELSA-N -1 0 342.848 3.636 20 0 EHADRM Cc1cnc2c(NC(=O)N3CC[C@](C)(C(=O)[O-])C3)cccc2c1Cl ZINC001594430059 959167855 /nfs/dbraw/zinc/16/78/55/959167855.db2.gz NECYXFYNCWIOPW-KRWDZBQOSA-N -1 0 347.802 3.525 20 0 EHADRM CSc1cc(NC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)ccc1Cl ZINC001594190378 959168788 /nfs/dbraw/zinc/16/87/88/959168788.db2.gz YCGJIENATFYSMU-GXSJLCMTSA-N -1 0 342.848 3.636 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)N[C@@H](CCCc1ccccc1)c1ccccc1 ZINC001588568995 959169266 /nfs/dbraw/zinc/16/92/66/959169266.db2.gz YNIQAWWMLBVCSA-QAPCUYQASA-N -1 0 325.408 3.588 20 0 EHADRM CCc1ccccc1C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000161714205 959191415 /nfs/dbraw/zinc/19/14/15/959191415.db2.gz RRIBGHHJEDXAML-UHFFFAOYSA-N -1 0 348.196 3.962 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])c1 ZINC001573543718 959196929 /nfs/dbraw/zinc/19/69/29/959196929.db2.gz KSCXSSSCRVLVOG-RVKKMQEKSA-N -1 0 331.456 3.700 20 0 EHADRM C[C@@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccc(F)cc1Cl ZINC001594200829 959249189 /nfs/dbraw/zinc/24/91/89/959249189.db2.gz OVPCZTZMRZVKDJ-ILFKPUCNSA-N -1 0 337.734 3.661 20 0 EHADRM CC(C)Oc1cc(F)ccc1NC(=O)NCc1ccccc1C(=O)[O-] ZINC001573554966 959252731 /nfs/dbraw/zinc/25/27/31/959252731.db2.gz QGUSOBOTGMFKMF-UHFFFAOYSA-N -1 0 346.358 3.633 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC001588583513 959278417 /nfs/dbraw/zinc/27/84/17/959278417.db2.gz BPYJSMDBSDNDOF-RKDXNWHRSA-N -1 0 348.251 3.632 20 0 EHADRM CC(C)c1ccc(C2(C(=O)N3CCC[C@@H](C(=O)[O-])C3)CCC2)cc1 ZINC001573566493 959289978 /nfs/dbraw/zinc/28/99/78/959289978.db2.gz HYEVPHBNRZBGCB-MRXNPFEDSA-N -1 0 329.440 3.555 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)[C@@H](c1ccncc1)C1CCCCC1 ZINC001594212670 959302087 /nfs/dbraw/zinc/30/20/87/959302087.db2.gz RPWFXDRTQQYLDA-ZTFGCOKTSA-N -1 0 344.455 3.600 20 0 EHADRM CC(C)n1ncc2ccc(NC(=O)/C=C/c3ccc(C(=O)[O-])o3)cc21 ZINC001573576945 959334674 /nfs/dbraw/zinc/33/46/74/959334674.db2.gz RABXNKDZSQVPOM-SOFGYWHQSA-N -1 0 339.351 3.560 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)Cc1ccc(C2CCCCC2)cc1 ZINC001594217850 959344461 /nfs/dbraw/zinc/34/44/61/959344461.db2.gz HHSNYNSMOVPAEZ-RDTXWAMCSA-N -1 0 329.440 3.741 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC000179089917 959431606 /nfs/dbraw/zinc/43/16/06/959431606.db2.gz KLIKBBNHXWBDTI-RRFJBIMHSA-N -1 0 331.412 3.695 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1nc(C(C)(C)C)cs1 ZINC000180001792 959435537 /nfs/dbraw/zinc/43/55/37/959435537.db2.gz XJQNWLWTWZSBQZ-TUAOUCFPSA-N -1 0 338.473 3.509 20 0 EHADRM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000180109566 959438686 /nfs/dbraw/zinc/43/86/86/959438686.db2.gz CAOHLHTUUSWJFE-RYUDHWBXSA-N -1 0 344.238 3.843 20 0 EHADRM C[C@@H](C(=O)[O-])c1noc(CCCOc2cccc(Cl)c2Cl)n1 ZINC001588602578 959442875 /nfs/dbraw/zinc/44/28/75/959442875.db2.gz NOHUZIDGLRHLMD-MRVPVSSYSA-N -1 0 345.182 3.576 20 0 EHADRM Cc1cc(-n2cccn2)ccc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000189660615 959510692 /nfs/dbraw/zinc/51/06/92/959510692.db2.gz ABZHOEZSEHUHEP-UHFFFAOYSA-N -1 0 341.411 3.544 20 0 EHADRM CCCCc1ccc(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])cc1 ZINC000392281156 972437451 /nfs/dbraw/zinc/43/74/51/972437451.db2.gz HVZQZMFUSZEOCF-IBGZPJMESA-N -1 0 337.419 3.853 20 0 EHADRM C[C@H](CC(=O)NCCc1cccc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC000191175055 959543370 /nfs/dbraw/zinc/54/33/70/959543370.db2.gz KHNOFAWCRHZBMB-GFCCVEGCSA-N -1 0 347.361 3.516 20 0 EHADRM C[C@H](OC(=O)C1(C(=O)[O-])CCSCC1)c1ccc(Cl)s1 ZINC001594242917 959545011 /nfs/dbraw/zinc/54/50/11/959545011.db2.gz OKEBOARKNJXIRB-QMMMGPOBSA-N -1 0 334.846 3.604 20 0 EHADRM CCCC[C@H](NC(=O)c1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000191235752 959547433 /nfs/dbraw/zinc/54/74/33/959547433.db2.gz GIHZFXDYPIPYHA-ZDUSSCGKSA-N -1 0 331.334 3.555 20 0 EHADRM Cc1ccccc1C1(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)CC1 ZINC000191409039 959561830 /nfs/dbraw/zinc/56/18/30/959561830.db2.gz GFFICJIXACIBPU-HNNXBMFYSA-N -1 0 337.419 3.929 20 0 EHADRM CC(C)c1ncc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)s1 ZINC000191416571 959564406 /nfs/dbraw/zinc/56/44/06/959564406.db2.gz IPJCCGJSJSGYSI-LLVKDONJSA-N -1 0 332.425 3.782 20 0 EHADRM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)CC(C)(C)CC(=O)[O-] ZINC000191648001 959586518 /nfs/dbraw/zinc/58/65/18/959586518.db2.gz RHWGRKGUCCDQTO-LBPRGKRZSA-N -1 0 340.489 3.985 20 0 EHADRM Cc1ccc(SC2CCCC2)c(C(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000192416232 959591225 /nfs/dbraw/zinc/59/12/25/959591225.db2.gz IKFCVBCERYWNKT-UHFFFAOYSA-N -1 0 347.480 3.967 20 0 EHADRM Cc1cc(Cl)c(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cc1C ZINC000192939798 959598108 /nfs/dbraw/zinc/59/81/08/959598108.db2.gz XEQPQLJDYKPCDM-CQSZACIVSA-N -1 0 329.783 3.785 20 0 EHADRM Cc1[nH]c2ccccc2c1C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001594250152 959603612 /nfs/dbraw/zinc/60/36/12/959603612.db2.gz POXSNDFXYGRTEQ-WBVHZDCISA-N -1 0 334.375 3.519 20 0 EHADRM C[C@H](Sc1ccc(F)cc1)C(=O)Nc1sccc1C(=O)[O-] ZINC001573641532 959614524 /nfs/dbraw/zinc/61/45/24/959614524.db2.gz DEXQJIHNTPVXTP-QMMMGPOBSA-N -1 0 325.386 3.705 20 0 EHADRM CCc1ccc(C(=O)CCC(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000195192483 959624098 /nfs/dbraw/zinc/62/40/98/959624098.db2.gz OLSAVHPAEOBVKF-UHFFFAOYSA-N -1 0 339.391 3.857 20 0 EHADRM O=C([O-])c1ccc(-c2nc(Cc3ccc(F)cc3Cl)no2)cc1 ZINC000200980690 959638462 /nfs/dbraw/zinc/63/84/62/959638462.db2.gz KMHQQVXIOISGQN-UHFFFAOYSA-N -1 0 332.718 3.818 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(Nc2ccccc2)nc1 ZINC001588635115 959650386 /nfs/dbraw/zinc/65/03/86/959650386.db2.gz ZEUQBDXUGNBRTP-OAHLLOKOSA-N -1 0 327.384 3.511 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N[C@H]1CCc2cccc3cccc1c32 ZINC001588636133 959662333 /nfs/dbraw/zinc/66/23/33/959662333.db2.gz XABVLWRMCJGDLQ-RDJZCZTQSA-N -1 0 325.408 3.690 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)Nc1ccc2c(c1)[C@@H](O)CCCC2 ZINC001573655490 959668248 /nfs/dbraw/zinc/66/82/48/959668248.db2.gz FIFWBQAVBYMVSV-HNNXBMFYSA-N -1 0 345.439 3.522 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1ccc(Br)c(Cl)c1 ZINC001573667655 959706657 /nfs/dbraw/zinc/70/66/57/959706657.db2.gz LALIAZYYSOETBA-ZDUSSCGKSA-N -1 0 346.608 3.542 20 0 EHADRM CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001588642985 959709984 /nfs/dbraw/zinc/70/99/84/959709984.db2.gz IMZABQRQHNKRAV-OWCLPIDISA-N -1 0 338.492 3.735 20 0 EHADRM Cc1c(Cl)cc(NC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)cc1Cl ZINC001594263151 959720131 /nfs/dbraw/zinc/72/01/31/959720131.db2.gz YDRLBUFENKJHLR-KOLCDFICSA-N -1 0 346.210 3.510 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)[C@]1(C)CCCc2ccccc21)C(=O)[O-] ZINC001588645613 959735272 /nfs/dbraw/zinc/73/52/72/959735272.db2.gz QKAGCWXWMQETCB-OXQOHEQNSA-N -1 0 331.456 3.676 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)Nc1cncc(C(=O)[O-])c1 ZINC001594268776 959776250 /nfs/dbraw/zinc/77/62/50/959776250.db2.gz PKADGHPBJBMZQV-NSHDSACASA-N -1 0 339.351 3.717 20 0 EHADRM CC(C)(C)CCN(CCc1ccccc1)C(=O)NCCCC(=O)[O-] ZINC001588651924 959776466 /nfs/dbraw/zinc/77/64/66/959776466.db2.gz ZLOGFBMTEKEWAS-UHFFFAOYSA-N -1 0 334.460 3.542 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2ccnc(C(=O)[O-])c2)C1 ZINC001573700977 959831276 /nfs/dbraw/zinc/83/12/76/959831276.db2.gz KBOIPFCIQRCBMC-BZNIZROVSA-N -1 0 343.358 3.534 20 0 EHADRM C[C@H]1CCCN(C(=O)C(c2ccccc2)c2ccccc2)[C@H]1C(=O)[O-] ZINC001573723802 959888521 /nfs/dbraw/zinc/88/85/21/959888521.db2.gz WGNWBXSRJBTSJK-HNAYVOBHSA-N -1 0 337.419 3.530 20 0 EHADRM Cc1nnc(SCc2ccc(C(=O)[O-])cc2Br)s1 ZINC000226700963 959893792 /nfs/dbraw/zinc/89/37/92/959893792.db2.gz VVEJOSURKMAHJC-UHFFFAOYSA-N -1 0 345.243 3.600 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)[C@H]1CCCc2ccccc21 ZINC000392289974 972465060 /nfs/dbraw/zinc/46/50/60/972465060.db2.gz QOGDLINFIZSASL-ROUUACIJSA-N -1 0 329.440 3.646 20 0 EHADRM N#Cc1ccc(NCc2ccc(C(=O)[O-])cc2)c(F)c1Br ZINC000231841930 960210894 /nfs/dbraw/zinc/21/08/94/960210894.db2.gz NHMZCUITGUJFRO-UHFFFAOYSA-N -1 0 349.159 3.770 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000232045369 960240068 /nfs/dbraw/zinc/24/00/68/960240068.db2.gz QIONZYZRMITLGT-UHFFFAOYSA-N -1 0 337.178 3.899 20 0 EHADRM O=C([O-])c1coc(/C=C\C(=O)N2CCC(c3cccc(F)c3)CC2)c1 ZINC001123383492 960464738 /nfs/dbraw/zinc/46/47/38/960464738.db2.gz BEHGMAAPUAXLKR-PLNGDYQASA-N -1 0 343.354 3.536 20 0 EHADRM C[C@H](CC(=O)N1CCCC[C@H]1c1ccc(C(=O)[O-])n1C)c1ccco1 ZINC001123398082 960481706 /nfs/dbraw/zinc/48/17/06/960481706.db2.gz KBSXFNCUECMNLN-HIFRSBDPSA-N -1 0 344.411 3.564 20 0 EHADRM C[C@@H]1Cc2cc(Cl)ccc2N1C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001573757588 960569144 /nfs/dbraw/zinc/56/91/44/960569144.db2.gz IPOBWKNQGKOVAL-LJJSCBMDSA-N -1 0 331.755 3.622 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000236436448 960599657 /nfs/dbraw/zinc/59/96/57/960599657.db2.gz RRIJTUSWWQIKLY-DTWKUNHWSA-N -1 0 334.174 3.962 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)CCc1ccc(-c2ccccc2)o1 ZINC001574267555 960601358 /nfs/dbraw/zinc/60/13/58/960601358.db2.gz ZUVSPQSMUUCGJO-RHSMWYFYSA-N -1 0 341.407 3.733 20 0 EHADRM CCC(C)(C)C1CCC(CC(=O)N(CCOC)CCC(=O)[O-])CC1 ZINC001573768327 960639641 /nfs/dbraw/zinc/63/96/41/960639641.db2.gz PWCLUQQSSUIELI-UHFFFAOYSA-N -1 0 341.492 3.569 20 0 EHADRM Cc1cc(C(=O)NC2(CC(=O)[O-])CCCCC2)c2ccc(F)cc2n1 ZINC001253139711 960643368 /nfs/dbraw/zinc/64/33/68/960643368.db2.gz XZEKOILXQCMASH-UHFFFAOYSA-N -1 0 344.386 3.590 20 0 EHADRM CC[C@@H](C)OCC(=O)Nc1sc2c(c1C(=O)[O-])CCC(C)(C)C2 ZINC001573776035 960679607 /nfs/dbraw/zinc/67/96/07/960679607.db2.gz DGZOIQZZCWOVFX-SNVBAGLBSA-N -1 0 339.457 3.715 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC001573776284 960685544 /nfs/dbraw/zinc/68/55/44/960685544.db2.gz JRYLYDUFFRJEKH-CYBMUJFWSA-N -1 0 343.379 3.580 20 0 EHADRM CCC(CC)(CNC(=O)N[C@@](C)(CC)c1ccc(F)cc1)C(=O)[O-] ZINC001573783768 960721188 /nfs/dbraw/zinc/72/11/88/960721188.db2.gz AAQOSGWHGYCYJN-KRWDZBQOSA-N -1 0 338.423 3.641 20 0 EHADRM CCCCC[C@H](NC(=O)C[C@@H](c1ccccc1)C(F)(F)F)C(=O)[O-] ZINC000236648472 960724050 /nfs/dbraw/zinc/72/40/50/960724050.db2.gz QXRZFAWGLDLUSH-KBPBESRZSA-N -1 0 345.361 3.872 20 0 EHADRM CC(C)COc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)c1 ZINC000236696287 960733656 /nfs/dbraw/zinc/73/36/56/960733656.db2.gz SFDHDFJYEAFLAZ-HNNXBMFYSA-N -1 0 347.436 3.729 20 0 EHADRM Cc1cc(Br)c(COC(=O)CCCC(=O)[O-])cc1Cl ZINC001574306359 960738814 /nfs/dbraw/zinc/73/88/14/960738814.db2.gz HQISDUVXFCOSCR-UHFFFAOYSA-N -1 0 349.608 3.709 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)c(C)n1C(C)C ZINC000236711025 960740328 /nfs/dbraw/zinc/74/03/28/960740328.db2.gz WSYBOPWAMACACG-UHFFFAOYSA-N -1 0 344.411 3.792 20 0 EHADRM CC(C)(C(=O)NCc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000236715095 960741970 /nfs/dbraw/zinc/74/19/70/960741970.db2.gz ALLLLKCKQCXNJD-UHFFFAOYSA-N -1 0 331.799 3.632 20 0 EHADRM CC(F)(F)C1(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)CC1 ZINC001261631436 960749951 /nfs/dbraw/zinc/74/99/51/960749951.db2.gz STDSNGSGXKZIFJ-UHFFFAOYSA-N -1 0 343.395 3.768 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001573791414 960755313 /nfs/dbraw/zinc/75/53/13/960755313.db2.gz OEBJNBXHRGRWKA-CQSZACIVSA-N -1 0 337.464 3.562 20 0 EHADRM CCC[C@](C)(NC(=O)CCCCOc1cc(C)ccc1C)C(=O)[O-] ZINC000236797712 960760088 /nfs/dbraw/zinc/76/00/88/960760088.db2.gz LDTPCUUMCZRINZ-IBGZPJMESA-N -1 0 335.444 3.612 20 0 EHADRM CCC[C@](C)(NC(=O)CCOc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000236801091 960760985 /nfs/dbraw/zinc/76/09/85/960760985.db2.gz GLDMJKSCHMWHQI-HNNXBMFYSA-N -1 0 348.226 3.522 20 0 EHADRM Cc1cc(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])nn1C1CCCCC1 ZINC001574312753 960770866 /nfs/dbraw/zinc/77/08/66/960770866.db2.gz VRVYAHMTAVYDAW-OAHLLOKOSA-N -1 0 349.475 3.706 20 0 EHADRM Cc1cc(C(=O)Nc2nc3ccccn3c2C(=O)[O-])c(C)cc1Cl ZINC001574315476 960782970 /nfs/dbraw/zinc/78/29/70/960782970.db2.gz OEIUBXAUAQXZQV-UHFFFAOYSA-N -1 0 343.770 3.555 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000236909021 960795599 /nfs/dbraw/zinc/79/55/99/960795599.db2.gz QMUXKHBLDYBNIR-KBPBESRZSA-N -1 0 343.423 3.664 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NCCOc2ccc3ccccc3c2)c1 ZINC001574318184 960806076 /nfs/dbraw/zinc/80/60/76/960806076.db2.gz QWEXSOVASALSFU-UHFFFAOYSA-N -1 0 349.386 3.655 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)N[C@@](C)(CC)CC(=O)[O-] ZINC000237017688 960837506 /nfs/dbraw/zinc/83/75/06/960837506.db2.gz LBSPRAFIEVYMPJ-HBBBSCFVSA-N -1 0 333.428 3.637 20 0 EHADRM Cc1sc(C(=O)N(C)CCCC(=O)[O-])cc1-c1ccc(F)cc1 ZINC000237022769 960840511 /nfs/dbraw/zinc/84/05/11/960840511.db2.gz RUSCRMPDOPOEFR-UHFFFAOYSA-N -1 0 335.400 3.799 20 0 EHADRM Cc1ccc(C)c(SCC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000237031443 960844453 /nfs/dbraw/zinc/84/44/53/960844453.db2.gz RNWSDPGRKPVESJ-UHFFFAOYSA-N -1 0 343.448 3.752 20 0 EHADRM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])o1 ZINC000237029956 960845539 /nfs/dbraw/zinc/84/55/39/960845539.db2.gz VLMCVMRYYSDSBC-LSDHHAIUSA-N -1 0 327.380 3.776 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)c3cc(Cl)ccn3)ccc2s1 ZINC001262670202 960855183 /nfs/dbraw/zinc/85/51/83/960855183.db2.gz ZACJKUKTFDAPNK-UHFFFAOYSA-N -1 0 332.768 3.900 20 0 EHADRM Cc1cc(NC(=O)C2(C(=O)[O-])CCCCCC2)nn1-c1ccccc1 ZINC001574332594 960892906 /nfs/dbraw/zinc/89/29/06/960892906.db2.gz BJRSKORZJOIGRW-UHFFFAOYSA-N -1 0 341.411 3.544 20 0 EHADRM CC[C@H](NC(=O)Nc1cccnc1C(=O)[O-])C(C)(C)c1ccccc1 ZINC001573811479 960904007 /nfs/dbraw/zinc/90/40/07/960904007.db2.gz ZRBXFXYQGTZEQX-HNNXBMFYSA-N -1 0 341.411 3.658 20 0 EHADRM Cc1cccc(Nc2ccccc2C(=O)N(C)CCCC(=O)[O-])c1C ZINC000237289754 960904853 /nfs/dbraw/zinc/90/48/53/960904853.db2.gz YPWNTGINEQOUOC-UHFFFAOYSA-N -1 0 340.423 3.984 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)Cc1ccccc1Cl)C(=O)[O-] ZINC000237483640 960943793 /nfs/dbraw/zinc/94/37/93/960943793.db2.gz AVHGIQJJVFOBIJ-AWEZNQCLSA-N -1 0 345.826 3.632 20 0 EHADRM C[C@H](CC(=O)N(C)CCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000237494624 960947922 /nfs/dbraw/zinc/94/79/22/960947922.db2.gz RIWRIFXBFHTIPF-LLVKDONJSA-N -1 0 331.334 3.522 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)N[C@H]2c3ccccc3CC[C@@H]2C)C1 ZINC001573820800 960952433 /nfs/dbraw/zinc/95/24/33/960952433.db2.gz UJAUBQQQEJBQOL-NQYLQCIDSA-N -1 0 344.455 3.596 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccccc1 ZINC000237521306 960952676 /nfs/dbraw/zinc/95/26/76/960952676.db2.gz OLHIRMJSKQKZBM-MXTOPGHLSA-N -1 0 343.810 3.931 20 0 EHADRM C[C@@H]1CCc2[nH]c3ccc(C(=O)NCCCCCC(=O)[O-])cc3c2C1 ZINC000237546214 960958870 /nfs/dbraw/zinc/95/88/70/960958870.db2.gz DTAAVWYRQUBHSQ-CYBMUJFWSA-N -1 0 342.439 3.668 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NC[C@@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000237581493 960967332 /nfs/dbraw/zinc/96/73/32/960967332.db2.gz ZDKARIPMKYFBDK-HZSPNIEDSA-N -1 0 335.469 3.808 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(c2nc(-c3ccccc3C)ns2)C1 ZINC001573822492 960973406 /nfs/dbraw/zinc/97/34/06/960973406.db2.gz NEULLWOAYKKGQM-QGZVFWFLSA-N -1 0 331.441 3.595 20 0 EHADRM Cc1ccc(-c2cccc(CNC(=O)[C@H](C(=O)[O-])C(C)C)c2)cc1 ZINC001574348533 960977135 /nfs/dbraw/zinc/97/71/35/960977135.db2.gz YUMWGVAZRBZCIN-GOSISDBHSA-N -1 0 325.408 3.635 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(C(=O)c1ccc(C(=O)[O-])nc1)C1CC1 ZINC000237622694 960977168 /nfs/dbraw/zinc/97/71/68/960977168.db2.gz LPVODILPWYAEAK-NSHDSACASA-N -1 0 344.798 3.799 20 0 EHADRM Cc1ccc(CCCCC(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000237703342 961001683 /nfs/dbraw/zinc/00/16/83/961001683.db2.gz LYQSVGPGPYOFLW-UHFFFAOYSA-N -1 0 325.408 3.722 20 0 EHADRM Cc1ccc(OCCC(=O)Nc2cc(C(=O)[O-])ccc2F)c(C)c1 ZINC000237709515 961003462 /nfs/dbraw/zinc/00/34/62/961003462.db2.gz WHOUHVNOWREIGH-UHFFFAOYSA-N -1 0 331.343 3.548 20 0 EHADRM CC[C@@H]1CCc2c(sc(NC(=O)c3nccs3)c2C(=O)[O-])C1 ZINC001573830353 961013739 /nfs/dbraw/zinc/01/37/39/961013739.db2.gz PVLXKUAMUOPTFK-MRVPVSSYSA-N -1 0 336.438 3.670 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(C)(C)c1ccccc1F ZINC000237749761 961015276 /nfs/dbraw/zinc/01/52/76/961015276.db2.gz VAIMNVNRALZAQL-UHFFFAOYSA-N -1 0 345.370 3.514 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)c(Cl)c2c1 ZINC001323507372 961019385 /nfs/dbraw/zinc/01/93/85/961019385.db2.gz ONUHNBZAKSANMN-GFCCVEGCSA-N -1 0 348.830 3.847 20 0 EHADRM Cc1ccc(SCCC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1C ZINC000237766772 961019742 /nfs/dbraw/zinc/01/97/42/961019742.db2.gz GCRMIQYCONVECE-MRXNPFEDSA-N -1 0 349.496 3.889 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3coc(/C=C\C(=O)[O-])c3)C2)cc1 ZINC001574361495 961028965 /nfs/dbraw/zinc/02/89/65/961028965.db2.gz LSJNVCQKQJELGI-LOWICHSDSA-N -1 0 339.391 3.704 20 0 EHADRM CCc1oc2ccccc2c1C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001324610938 961038215 /nfs/dbraw/zinc/03/82/15/961038215.db2.gz MMQDPBFOXQOWBY-HXUWFJFHSA-N -1 0 337.375 3.725 20 0 EHADRM Cc1ccc(CNC(=O)[C@@H](C(=O)[O-])C2CC2)c(Oc2ccccc2)c1 ZINC001574366410 961038875 /nfs/dbraw/zinc/03/88/75/961038875.db2.gz CHMBQACDUKUNLL-SFHVURJKSA-N -1 0 339.391 3.514 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(Cl)cc2C)cc1 ZINC001325142475 961052379 /nfs/dbraw/zinc/05/23/79/961052379.db2.gz DUYNJTHWXSFGHT-MRXNPFEDSA-N -1 0 331.799 3.903 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3)n2)C1 ZINC000237974960 961061800 /nfs/dbraw/zinc/06/18/00/961061800.db2.gz RZWNZWNHVNXMDL-ZDUSSCGKSA-N -1 0 344.436 3.527 20 0 EHADRM CCCCCC[C@H](O)CCC(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC001573840603 961067646 /nfs/dbraw/zinc/06/76/46/961067646.db2.gz ILNQPUZDZIIEFM-DOTOQJQBSA-N -1 0 347.455 3.703 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cnn(C3CCCCC3)c2)cc1 ZINC001326050221 961069231 /nfs/dbraw/zinc/06/92/31/961069231.db2.gz DAFCVKLSZRKHCH-CYBMUJFWSA-N -1 0 341.411 3.829 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCc2ccccc2OC2CCCC2)cc1 ZINC000238020630 961078214 /nfs/dbraw/zinc/07/82/14/961078214.db2.gz BSOUBHLITWAPIA-UHFFFAOYSA-N -1 0 339.391 3.636 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2ccc(OC3CCCC3)cc2)C1 ZINC000238019664 961078774 /nfs/dbraw/zinc/07/87/74/961078774.db2.gz HTBBZBKJZLIUQM-OAHLLOKOSA-N -1 0 345.439 3.725 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2COc2ccccc2)o1 ZINC000238043042 961083971 /nfs/dbraw/zinc/08/39/71/961083971.db2.gz DBTFUODPFLYUJQ-UHFFFAOYSA-N -1 0 337.331 3.809 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2CCC(F)(F)F)o1 ZINC000238059912 961089072 /nfs/dbraw/zinc/08/90/72/961089072.db2.gz SEPHRNLPCKHGOC-UHFFFAOYSA-N -1 0 327.258 3.725 20 0 EHADRM CCCCCCOC(=O)c1ccc(NC(=O)C2(C(=O)[O-])CCC2)cc1 ZINC001573842912 961093998 /nfs/dbraw/zinc/09/39/98/961093998.db2.gz LGHJQHSHEAYPOV-UHFFFAOYSA-N -1 0 347.411 3.617 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])c1 ZINC001588734285 961117661 /nfs/dbraw/zinc/11/76/61/961117661.db2.gz GMZYRBWPWOHYBU-HNNXBMFYSA-N -1 0 333.428 3.723 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1csc(-c2cccs2)n1 ZINC000238135629 961121505 /nfs/dbraw/zinc/12/15/05/961121505.db2.gz QMUUNJZQMJFSPA-UHFFFAOYSA-N -1 0 338.454 3.637 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)CCc2nc3ccccc3s2)c1 ZINC000238144630 961126758 /nfs/dbraw/zinc/12/67/58/961126758.db2.gz ZMBFHGQIJRJONL-UHFFFAOYSA-N -1 0 344.367 3.705 20 0 EHADRM Cc1cccc(-c2ccc(CNC(=O)[C@@H](C(=O)[O-])C(C)C)cc2)c1 ZINC001574383784 961127036 /nfs/dbraw/zinc/12/70/36/961127036.db2.gz LCRGWFXVYOHPOV-SFHVURJKSA-N -1 0 325.408 3.635 20 0 EHADRM CC(C)(C)OCc1ccccc1NC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001588735042 961136305 /nfs/dbraw/zinc/13/63/05/961136305.db2.gz ZNQABRYFOAXJHG-CQSZACIVSA-N -1 0 348.443 3.720 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1c(F)c(F)cc(F)c1F ZINC001574389011 961152380 /nfs/dbraw/zinc/15/23/80/961152380.db2.gz HNGUORZYRVFSMD-UHFFFAOYSA-N -1 0 327.233 3.502 20 0 EHADRM O=C([O-])c1cccc(C(=O)NC(c2ccccc2)c2ccccc2)c1 ZINC000238206943 961159911 /nfs/dbraw/zinc/15/99/11/961159911.db2.gz FJBAWMDIEMUZLJ-UHFFFAOYSA-N -1 0 331.371 3.904 20 0 EHADRM Cc1cccc([C@@H](NC(=O)/C=C\c2ccc(Cl)cc2)C(=O)[O-])c1 ZINC001574389611 961160998 /nfs/dbraw/zinc/16/09/98/961160998.db2.gz OHWSYUMFLZMZEJ-CGQZWFTASA-N -1 0 329.783 3.604 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)c2cc3c(s2)CCCC3)cc1 ZINC000238208701 961162082 /nfs/dbraw/zinc/16/20/82/961162082.db2.gz JIVRNKNIDCHGMB-UHFFFAOYSA-N -1 0 345.420 3.733 20 0 EHADRM CC(C)(C)c1ccc(CSCC(=O)N2CCC[C@]2(C)C(=O)[O-])cc1 ZINC001588741101 961166034 /nfs/dbraw/zinc/16/60/34/961166034.db2.gz MZZGXALLSXXHTC-LJQANCHMSA-N -1 0 349.496 3.683 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)ccc2o1 ZINC001588748023 961188187 /nfs/dbraw/zinc/18/81/87/961188187.db2.gz JDUQCDFZWNIOBY-WDEREUQCSA-N -1 0 330.384 3.565 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1 ZINC000245653173 961191791 /nfs/dbraw/zinc/19/17/91/961191791.db2.gz KLIKBBNHXWBDTI-SOUVJXGZSA-N -1 0 331.412 3.695 20 0 EHADRM Cc1ccccc1-n1nc(-c2ccccc2)cc1NC(=O)CCC(=O)[O-] ZINC001574402019 961238939 /nfs/dbraw/zinc/23/89/39/961238939.db2.gz RUOCOSGRTONIBT-UHFFFAOYSA-N -1 0 349.390 3.651 20 0 EHADRM CC(C)(NC(=O)NCC1(C(=O)[O-])CCC1)c1ccc2ccccc2c1 ZINC001588789193 961355310 /nfs/dbraw/zinc/35/53/10/961355310.db2.gz CNFXHVWKJFTBBH-UHFFFAOYSA-N -1 0 340.423 3.629 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)NC1(CC(=O)[O-])CCCC1 ZINC000261655579 961386026 /nfs/dbraw/zinc/38/60/26/961386026.db2.gz FUKIVVFPUDINID-UHFFFAOYSA-N -1 0 335.787 3.912 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)c1 ZINC000262104591 961461437 /nfs/dbraw/zinc/46/14/37/961461437.db2.gz DVTGEOIMJBQUFS-DLBZAZTESA-N -1 0 343.810 3.501 20 0 EHADRM O=C([O-])CC1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000262127645 961482928 /nfs/dbraw/zinc/48/29/28/961482928.db2.gz LFUXMDHLHANXTO-UHFFFAOYSA-N -1 0 344.238 3.639 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N(Cc2ccc(Cl)cc2)C2CC2)c1 ZINC000262145043 961498191 /nfs/dbraw/zinc/49/81/91/961498191.db2.gz IXSYOAJLGVJGDW-UHFFFAOYSA-N -1 0 343.810 3.772 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CCC[C@H]1CCc1ccccc1 ZINC000262159546 961509568 /nfs/dbraw/zinc/50/95/68/961509568.db2.gz KGRRVUNCLLIWSN-SFHVURJKSA-N -1 0 337.419 3.551 20 0 EHADRM CCOc1c(Cl)cc(NC(=O)C2(C(=O)[O-])CCC2)cc1Cl ZINC001573919058 961518936 /nfs/dbraw/zinc/51/89/36/961518936.db2.gz ZZNDCEUGDXRQEI-UHFFFAOYSA-N -1 0 332.183 3.586 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000262233189 961576010 /nfs/dbraw/zinc/57/60/10/961576010.db2.gz YUGVQWMHZZNDQS-QLFBSQMISA-N -1 0 347.411 3.631 20 0 EHADRM C[C@@H]1c2ccsc2CCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000262234753 961577883 /nfs/dbraw/zinc/57/78/83/961577883.db2.gz STFAOJKGWJCPBC-GFCCVEGCSA-N -1 0 329.421 3.525 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)CCc1ccc(-c2ccccc2)[nH]1 ZINC000262345222 961660125 /nfs/dbraw/zinc/66/01/25/961660125.db2.gz AGEMDPXZUQRMMM-UHFFFAOYSA-N -1 0 342.439 3.574 20 0 EHADRM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC000262383085 961685260 /nfs/dbraw/zinc/68/52/60/961685260.db2.gz LSLLTMYKQCDYJH-SMDDNHRTSA-N -1 0 345.345 3.681 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2CCc2ccccc2)c(F)c1 ZINC000262484378 961747282 /nfs/dbraw/zinc/74/72/82/961747282.db2.gz YLWVQACLGXOWLT-INIZCTEOSA-N -1 0 341.382 3.761 20 0 EHADRM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC000262495209 961750683 /nfs/dbraw/zinc/75/06/83/961750683.db2.gz ZYFVMEKLENPMSC-ZFWWWQNUSA-N -1 0 341.382 3.851 20 0 EHADRM CN(C(=O)NCc1ccc(C(=O)[O-])cc1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001573980194 961766824 /nfs/dbraw/zinc/76/68/24/961766824.db2.gz ZELGZHQQCLMGIV-JKSUJKDBSA-N -1 0 332.444 3.741 20 0 EHADRM CCSCc1ccc(C(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000262560201 961772544 /nfs/dbraw/zinc/77/25/44/961772544.db2.gz ZLMBOWJOQWKTBD-UHFFFAOYSA-N -1 0 347.436 3.812 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)C=C2CCSCC2)c1Cl ZINC001574512049 961801351 /nfs/dbraw/zinc/80/13/51/961801351.db2.gz BKZQXJDARQKHDM-UHFFFAOYSA-N -1 0 329.780 3.569 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N(Cc2ccoc2)C2CCCCC2)CC1 ZINC000262679668 961804849 /nfs/dbraw/zinc/80/48/49/961804849.db2.gz AECKJALUWITMGW-WKILWMFISA-N -1 0 333.428 3.832 20 0 EHADRM CCSc1ccc([C@@H](C)NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC000262705329 961815081 /nfs/dbraw/zinc/81/50/81/961815081.db2.gz JFFHHDWIYSOIHZ-BPLDGKMQSA-N -1 0 335.469 3.867 20 0 EHADRM Cc1ccc(CCCC(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)s1 ZINC000262777040 961860874 /nfs/dbraw/zinc/86/08/74/961860874.db2.gz ATLYQEBDCJSTAY-MRXNPFEDSA-N -1 0 349.427 3.503 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)CCCOc2ccc(F)cc2)c1 ZINC000262817652 961885107 /nfs/dbraw/zinc/88/51/07/961885107.db2.gz AQYPBJIZDYKHNA-ZDUSSCGKSA-N -1 0 345.370 3.812 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000262820811 961888012 /nfs/dbraw/zinc/88/80/12/961888012.db2.gz YGFMQSCIXQJAAR-NSHDSACASA-N -1 0 345.420 3.633 20 0 EHADRM C[C@H](CC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000262829606 961896265 /nfs/dbraw/zinc/89/62/65/961896265.db2.gz FUAWEUCMDLCKSB-ATZDWAIDSA-N -1 0 337.419 3.507 20 0 EHADRM CCC(CC)(C(=O)N[C@@H](CC(F)F)C(=O)[O-])c1ccc(Cl)cc1 ZINC000262856529 961921406 /nfs/dbraw/zinc/92/14/06/961921406.db2.gz AHIPJPAATUUTMR-LBPRGKRZSA-N -1 0 347.789 3.622 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000262881253 961955517 /nfs/dbraw/zinc/95/55/17/961955517.db2.gz XVEIIYWKLQIOII-APPDUMDISA-N -1 0 338.473 3.512 20 0 EHADRM Cc1ccc(C(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)cc1 ZINC000262885480 961959594 /nfs/dbraw/zinc/95/95/94/961959594.db2.gz CLSAQEUBUVSFLL-UHFFFAOYSA-N -1 0 337.419 3.788 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CCc2c(cccc2C(C)C)C1 ZINC000262888185 961962114 /nfs/dbraw/zinc/96/21/14/961962114.db2.gz HRNZEPHBBAYPPN-UHFFFAOYSA-N -1 0 341.407 3.537 20 0 EHADRM Cc1oc(CNC(=O)CCc2ccc(C(C)C)cc2)cc1C(=O)[O-] ZINC000262898792 961975540 /nfs/dbraw/zinc/97/55/40/961975540.db2.gz BCLMOJOBNMYVJK-UHFFFAOYSA-N -1 0 329.396 3.659 20 0 EHADRM CCn1c(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc2ccccc21 ZINC001337320630 961981846 /nfs/dbraw/zinc/98/18/46/961981846.db2.gz IOOMMCRMMGZAAH-HNNXBMFYSA-N -1 0 342.439 3.624 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H]2CCC[C@@H](c3ccccc3)CC2)C1 ZINC001574557024 961993707 /nfs/dbraw/zinc/99/37/07/961993707.db2.gz XQYQARVVJXZTHM-XMTFNYHQSA-N -1 0 329.440 3.720 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2cnc(C(C)C)s2)cc1 ZINC001339061834 961996288 /nfs/dbraw/zinc/99/62/88/961996288.db2.gz QSGNXIYNVONTIX-ZDUSSCGKSA-N -1 0 332.425 3.521 20 0 EHADRM C[C@H]1CN(C(=O)CSc2ccc(C(C)(C)C)cc2)CC[C@H]1C(=O)[O-] ZINC000262925636 962007311 /nfs/dbraw/zinc/00/73/11/962007311.db2.gz JQMLEHWSNVIFEA-XJKSGUPXSA-N -1 0 349.496 3.645 20 0 EHADRM CC(C)c1ccc([C@@H](NC(=O)N2CC[C@H](C(=O)[O-])C2)C(C)C)cc1 ZINC000262945324 962031054 /nfs/dbraw/zinc/03/10/54/962031054.db2.gz HRWWHOQSNAAWPM-IRXDYDNUSA-N -1 0 332.444 3.623 20 0 EHADRM Cc1ccc(NC(=O)C(C)C)cc1NCc1ccc(C(=O)[O-])cc1 ZINC000262947709 962032016 /nfs/dbraw/zinc/03/20/16/962032016.db2.gz ALQLPJBDKCWKLE-UHFFFAOYSA-N -1 0 326.396 3.900 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)N[C@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC000262985539 962076094 /nfs/dbraw/zinc/07/60/94/962076094.db2.gz JVOCOUPKNHOGTO-HUUCEWRRSA-N -1 0 347.455 3.934 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(-c3ccccc3)[nH]2)cc1 ZINC001340564183 962102948 /nfs/dbraw/zinc/10/29/48/962102948.db2.gz RKBNKGKMAOOWPY-LJQANCHMSA-N -1 0 348.402 3.936 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1)c1ccccc1 ZINC001574584713 962109846 /nfs/dbraw/zinc/10/98/46/962109846.db2.gz IMVITBKBOICQMA-QRVBRYPASA-N -1 0 337.419 3.588 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)[C@H]2C[C@H]2c2cccc3ccccc32)C1 ZINC000263022591 962130246 /nfs/dbraw/zinc/13/02/46/962130246.db2.gz OOWQNPGINCAGQC-WFXMLNOXSA-N -1 0 337.419 3.657 20 0 EHADRM CC(C)COc1ncc(C(=O)Nc2ccccc2C(=O)[O-])cc1Cl ZINC001588880314 962138109 /nfs/dbraw/zinc/13/81/09/962138109.db2.gz KHGARCIITPZDLC-UHFFFAOYSA-N -1 0 348.786 3.720 20 0 EHADRM CC(C)C[C@@H](NC(=O)[C@H](OCC1CCCC1)c1ccccc1)C(=O)[O-] ZINC001588880747 962144224 /nfs/dbraw/zinc/14/42/24/962144224.db2.gz HTNQVSNAQOJYTP-QZTJIDSGSA-N -1 0 347.455 3.550 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccccc2CCC(F)(F)F)C1 ZINC000263034826 962152162 /nfs/dbraw/zinc/15/21/62/962152162.db2.gz CKRONWXEDGNASD-NWDGAFQWSA-N -1 0 329.318 3.621 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1cccc2c1ccn2CC(C)C)C(=O)[O-] ZINC001588886076 962174789 /nfs/dbraw/zinc/17/47/89/962174789.db2.gz WFGXDPKYASTIGM-MRXNPFEDSA-N -1 0 330.428 3.526 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CC=C(c2ccc(C)cc2)CC1 ZINC001344511311 962182419 /nfs/dbraw/zinc/18/24/19/962182419.db2.gz GRVSPSNEROQMQG-UHFFFAOYSA-N -1 0 325.364 3.524 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)N1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001344541542 962193701 /nfs/dbraw/zinc/19/37/01/962193701.db2.gz JBYUOOFQAHRBOD-CQSZACIVSA-N -1 0 348.443 3.685 20 0 EHADRM CC(C)C[C@H](CNC(=O)NC[C@H]1CCCC(C)(C)C1)CC(=O)[O-] ZINC001588892420 962205655 /nfs/dbraw/zinc/20/56/55/962205655.db2.gz LCAPRWQNOQDWGN-GJZGRUSLSA-N -1 0 326.481 3.639 20 0 EHADRM O=C([O-])[C@H](C(=O)Oc1ccc(F)c(C(F)(F)F)c1)C1CCCC1 ZINC001574622361 962260873 /nfs/dbraw/zinc/26/08/73/962260873.db2.gz ZAWROJBDEXZDNX-GFCCVEGCSA-N -1 0 334.265 3.641 20 0 EHADRM O=C([O-])[C@@H](C(=O)Oc1cnc2ccc(Cl)cc2c1)C1CCCC1 ZINC001574622375 962261213 /nfs/dbraw/zinc/26/12/13/962261213.db2.gz ZHORXEOQXGXDLH-HNNXBMFYSA-N -1 0 333.771 3.685 20 0 EHADRM CCc1cc(C(=O)Nc2cc(COC)cc(C(=O)[O-])c2)oc1CC ZINC000263114239 962267113 /nfs/dbraw/zinc/26/71/13/962267113.db2.gz QCVXCLKVJTXLKT-UHFFFAOYSA-N -1 0 331.368 3.501 20 0 EHADRM CC(F)(F)c1cccc(NC(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC000263115620 962267794 /nfs/dbraw/zinc/26/77/94/962267794.db2.gz WEMFMTREHAFLRY-UHFFFAOYSA-N -1 0 326.343 3.563 20 0 EHADRM CC(C)Cc1ccc([C@H](NC(=O)NC[C@@H](C)C(=O)[O-])C(C)C)cc1 ZINC001588905930 962270661 /nfs/dbraw/zinc/27/06/61/962270661.db2.gz AMBTXTILBRTKDN-RHSMWYFYSA-N -1 0 334.460 3.602 20 0 EHADRM COCc1cc(NC(=O)[C@H](C)Cc2ccc(C)cc2)cc(C(=O)[O-])c1 ZINC000263137964 962289330 /nfs/dbraw/zinc/28/93/30/962289330.db2.gz UPYDXELQFFEZEV-CQSZACIVSA-N -1 0 341.407 3.657 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000263147638 962301235 /nfs/dbraw/zinc/30/12/35/962301235.db2.gz YVDIUEUXMGBSGB-WAPOTWQKSA-N -1 0 349.430 3.655 20 0 EHADRM CC(C)Cn1ccc2c1cccc2C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001588911614 962318699 /nfs/dbraw/zinc/31/86/99/962318699.db2.gz IKHNNFFQUDMONR-OAHLLOKOSA-N -1 0 342.439 3.624 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)C(C)(C)c2ccccc2F)c1 ZINC000263179270 962334711 /nfs/dbraw/zinc/33/47/11/962334711.db2.gz HBHVLIBUPYDVMN-GFCCVEGCSA-N -1 0 329.371 3.930 20 0 EHADRM C[C@H](CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000263202134 962357913 /nfs/dbraw/zinc/35/79/13/962357913.db2.gz NUNRGPQCLYPCOW-SUNKGSAMSA-N -1 0 343.345 3.521 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3CC[C@H](C(=O)[O-])[C@H]3C)c(F)c2)cc1 ZINC000263228351 962379611 /nfs/dbraw/zinc/37/96/11/962379611.db2.gz RTMJRXDOCKEYIJ-CJNGLKHVSA-N -1 0 341.382 3.736 20 0 EHADRM CCOc1ccc(C(F)(F)F)cc1NC(=O)CCCCC(=O)[O-] ZINC000263246343 962391661 /nfs/dbraw/zinc/39/16/61/962391661.db2.gz DBBHTGKSDXPNNJ-UHFFFAOYSA-N -1 0 333.306 3.688 20 0 EHADRM O=C([O-])CC1CCN(C(=O)CCCc2ccc3ccccc3c2)CC1 ZINC000263259975 962399269 /nfs/dbraw/zinc/39/92/69/962399269.db2.gz MEDYYPSEMBEPRB-UHFFFAOYSA-N -1 0 339.435 3.876 20 0 EHADRM CN(C(=O)c1ccc(-c2ccc(F)cc2)cc1F)C(C)(C)CC(=O)[O-] ZINC001347929651 962434728 /nfs/dbraw/zinc/43/47/28/962434728.db2.gz YHQNZRFVLUVCJH-UHFFFAOYSA-N -1 0 347.361 3.957 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001348492511 962449431 /nfs/dbraw/zinc/44/94/31/962449431.db2.gz MBPZMHCCJAYOPC-INIZCTEOSA-N -1 0 327.380 3.798 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2cccc(Cl)c2)C1 ZINC000263327352 962472768 /nfs/dbraw/zinc/47/27/68/962472768.db2.gz PAAPPXCHQHMCNI-SQWLQELKSA-N -1 0 335.831 3.895 20 0 EHADRM CC(C)OCC(C)(C)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001588933461 962480325 /nfs/dbraw/zinc/48/03/25/962480325.db2.gz PWLOSUBFOWLIJY-UHFFFAOYSA-N -1 0 346.786 3.502 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H](C)CC(F)(F)F)cc1 ZINC001349933039 962496465 /nfs/dbraw/zinc/49/64/65/962496465.db2.gz YHHUEPLYAGRUMU-SKDRFNHKSA-N -1 0 349.374 3.629 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 ZINC000263344064 962497068 /nfs/dbraw/zinc/49/70/68/962497068.db2.gz SUVIKIKZIOMHEG-GOSISDBHSA-N -1 0 347.798 3.927 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)CCCOc2cccc(F)c2)cc1 ZINC000263347383 962499780 /nfs/dbraw/zinc/49/97/80/962499780.db2.gz UMTAPVMBRNICCD-CYBMUJFWSA-N -1 0 345.370 3.812 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccc(COC3CCCC3)cc2)C1 ZINC000263360098 962516171 /nfs/dbraw/zinc/51/61/71/962516171.db2.gz YDQMGIJNAGNGDM-LSDHHAIUSA-N -1 0 331.412 3.585 20 0 EHADRM CC(C)Oc1ccccc1[C@@H](C)NC(=O)C1(C(=O)[O-])CCCCC1 ZINC001588940680 962528119 /nfs/dbraw/zinc/52/81/19/962528119.db2.gz STTYBFMAEVPDEI-CQSZACIVSA-N -1 0 333.428 3.686 20 0 EHADRM CCCOc1cc(C)ccc1NC(=O)c1c(C)coc1CC(=O)[O-] ZINC000263417842 962588124 /nfs/dbraw/zinc/58/81/24/962588124.db2.gz KKOYSBREMNVHNB-UHFFFAOYSA-N -1 0 331.368 3.565 20 0 EHADRM CC(C)(C(=O)N[C@@H](CC(=O)[O-])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC001352883141 962639889 /nfs/dbraw/zinc/63/98/89/962639889.db2.gz QYAZVNMZRWVMHU-ZDUSSCGKSA-N -1 0 344.238 3.641 20 0 EHADRM CCc1noc(-c2ccc(C)c(NC3CCC(C(=O)[O-])CC3)c2)n1 ZINC000263452571 962640994 /nfs/dbraw/zinc/64/09/94/962640994.db2.gz GOFKKPRJRLWEMW-UHFFFAOYSA-N -1 0 329.400 3.663 20 0 EHADRM CC(C)c1cc(C(=O)N([C@@H](C)C(=O)[O-])C2CC2)c(O)c(C(C)C)c1 ZINC001588964197 962644855 /nfs/dbraw/zinc/64/48/55/962644855.db2.gz WYRHPJPKHZKXSF-LBPRGKRZSA-N -1 0 333.428 3.717 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000263457596 962645499 /nfs/dbraw/zinc/64/54/99/962645499.db2.gz UYBCWABAQKCFTL-CVEARBPZSA-N -1 0 341.407 3.671 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)[C@H]1CCc2c1cccc2Cl ZINC001574692458 962651973 /nfs/dbraw/zinc/65/19/73/962651973.db2.gz RMCCBAWJSAXRGL-DOMZBBRYSA-N -1 0 335.831 3.616 20 0 EHADRM CC(C)c1ccc2occ(C(=O)N3CC[C@@H](C)[C@@H](C(=O)[O-])C3)c2c1 ZINC001588969387 962663356 /nfs/dbraw/zinc/66/33/56/962663356.db2.gz BWCXJFSOOJESPI-DOMZBBRYSA-N -1 0 329.396 3.739 20 0 EHADRM O=C([O-])CC1CC(Nc2cccc(C[S@@](=O)C3CCCCC3)c2)C1 ZINC001353922708 962680105 /nfs/dbraw/zinc/68/01/05/962680105.db2.gz QDUSZMWOBZPFPZ-NQVMDJNJSA-N -1 0 349.496 3.933 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001354047118 962698459 /nfs/dbraw/zinc/69/84/59/962698459.db2.gz MERBOCXUMOHAKX-UHFFFAOYSA-N -1 0 329.400 3.812 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H](c2ccccc2)C2CC2)C[C@H]1c1ccccc1 ZINC000263518332 962698585 /nfs/dbraw/zinc/69/85/85/962698585.db2.gz FVIIGRFLPJCGKS-ZCNNSNEGSA-N -1 0 349.430 3.507 20 0 EHADRM Cc1ccccc1[C@H](C)N(C)C(=O)CCc1ccccc1C(=O)[O-] ZINC000263519866 962701628 /nfs/dbraw/zinc/70/16/28/962701628.db2.gz GQGFOGVGUOOTGC-HNNXBMFYSA-N -1 0 325.408 3.845 20 0 EHADRM C[C@@H](CCC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000263520878 962702792 /nfs/dbraw/zinc/70/27/92/962702792.db2.gz HCMJSXDZSCEFJQ-KKSFZXQISA-N -1 0 339.435 3.729 20 0 EHADRM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC000263525863 962708417 /nfs/dbraw/zinc/70/84/17/962708417.db2.gz JSQGZFDMNLYJQS-DVVUODLYSA-N -1 0 330.211 3.624 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@H](C)Cc1ccccc1Cl ZINC000263535115 962714921 /nfs/dbraw/zinc/71/49/21/962714921.db2.gz OFPRIJQTJYLYCR-GFCCVEGCSA-N -1 0 325.836 3.668 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCC[C@@H]2CCCc2ccccc2)o1 ZINC000263569348 962734838 /nfs/dbraw/zinc/73/48/38/962734838.db2.gz HJOXJNVIBUWJLS-MRXNPFEDSA-N -1 0 341.407 3.995 20 0 EHADRM CC(C)(NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1cccc(Cl)c1F ZINC000263578429 962744176 /nfs/dbraw/zinc/74/41/76/962744176.db2.gz SQILPXPDNSOWAU-WDEREUQCSA-N -1 0 341.810 3.721 20 0 EHADRM C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2O)cc1 ZINC000153418035 1125484568 /nfs/dbraw/zinc/48/45/68/1125484568.db2.gz CUBAAPGITNTIAC-IINYFYTJSA-N -1 0 344.798 3.892 20 0 EHADRM COc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1-c1ccccn1 ZINC001574201965 962891557 /nfs/dbraw/zinc/89/15/57/962891557.db2.gz LNZGUJRACIZKJI-UHFFFAOYSA-N -1 0 348.358 3.708 20 0 EHADRM Cc1csc(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1Cl ZINC001549039769 962944075 /nfs/dbraw/zinc/94/40/75/962944075.db2.gz AOXDYQOMYDJLAG-CHWSQXEVSA-N -1 0 349.839 3.650 20 0 EHADRM CC(C)(C)Oc1ccc(CNC(=O)CC2(C(=O)[O-])CCCCC2)cc1 ZINC000620149385 1125485454 /nfs/dbraw/zinc/48/54/54/1125485454.db2.gz IIDJIZYRUWGCIA-UHFFFAOYSA-N -1 0 347.455 3.905 20 0 EHADRM CC(C)C[C@H]1CCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000307816671 963227794 /nfs/dbraw/zinc/22/77/94/963227794.db2.gz KVOCYGCIGDUXEQ-SNVBAGLBSA-N -1 0 326.343 3.563 20 0 EHADRM C[C@H]1CCCC[C@]1(C)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000308412768 963273405 /nfs/dbraw/zinc/27/34/05/963273405.db2.gz DZFBVRYRIQLWDW-FVMDXXJSSA-N -1 0 326.343 3.753 20 0 EHADRM O=C([O-])c1ccc(NCc2ccccc2OCc2ccccc2)nc1 ZINC000311230084 963469928 /nfs/dbraw/zinc/46/99/28/963469928.db2.gz ZKLSHELARHABDA-UHFFFAOYSA-N -1 0 334.375 3.971 20 0 EHADRM CC(C)C[C@H](NC(=O)CCCSc1ccc(Cl)cc1)C(=O)[O-] ZINC000314136211 963715919 /nfs/dbraw/zinc/71/59/19/963715919.db2.gz OMYVSNFEQCFGNP-AWEZNQCLSA-N -1 0 343.876 3.828 20 0 EHADRM CCN(C(=O)c1ccc(SC(F)(F)F)cc1)C(C)(C)C(=O)[O-] ZINC000315069860 963853572 /nfs/dbraw/zinc/85/35/72/963853572.db2.gz RPFQLTZJMNPGHM-UHFFFAOYSA-N -1 0 335.347 3.624 20 0 EHADRM O=C([O-])c1ccccc1CCNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000315694888 963926984 /nfs/dbraw/zinc/92/69/84/963926984.db2.gz XIKUJBQJAPHMAP-UHFFFAOYSA-N -1 0 338.190 3.664 20 0 EHADRM CCC(CC)(CNC(=O)c1cc(SC)ccc1Cl)C(=O)[O-] ZINC000164986617 967665439 /nfs/dbraw/zinc/66/54/39/967665439.db2.gz XYLRMUKUFICNST-UHFFFAOYSA-N -1 0 329.849 3.683 20 0 EHADRM Cc1ccc(CN(C(=O)Cc2ccccc2C(=O)[O-])C(C)C)s1 ZINC000262195378 967813026 /nfs/dbraw/zinc/81/30/26/967813026.db2.gz RMDGNKWYDVBSCC-UHFFFAOYSA-N -1 0 331.437 3.734 20 0 EHADRM C[C@@H](CC(=O)N([C@@H](C)C(=O)[O-])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000262679522 967824964 /nfs/dbraw/zinc/82/49/64/967824964.db2.gz ZJBIATYILNFMFD-QWRGUYRKSA-N -1 0 343.345 3.663 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccccc2Nc2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000262809027 967828615 /nfs/dbraw/zinc/82/86/15/967828615.db2.gz AXJXNCIUMZEMQR-ZBFHGGJFSA-N -1 0 338.407 3.613 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000263049611 967840948 /nfs/dbraw/zinc/84/09/48/967840948.db2.gz FJCWTSYSQJLCSR-GFCCVEGCSA-N -1 0 329.849 3.681 20 0 EHADRM Cc1c(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)sc2cccc(F)c12 ZINC000263533647 967899785 /nfs/dbraw/zinc/89/97/85/967899785.db2.gz XYMJHISPZDNTHF-GXSJLCMTSA-N -1 0 335.400 3.674 20 0 EHADRM CSc1cccc(NC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)c1 ZINC000325774940 968041342 /nfs/dbraw/zinc/04/13/42/968041342.db2.gz URCLNTGYKNRZQI-MRXNPFEDSA-N -1 0 342.420 3.624 20 0 EHADRM CC(C)(C)c1cc(C(=O)NCc2cccc(C(=O)[O-])c2)cc(Cl)n1 ZINC000326097604 968042638 /nfs/dbraw/zinc/04/26/38/968042638.db2.gz VYMNHQKBHMFBLI-UHFFFAOYSA-N -1 0 346.814 3.661 20 0 EHADRM CC(C)[C@H](NC(=O)N(C)CCCC(=O)[O-])c1ccccc1Cl ZINC000414633357 968340723 /nfs/dbraw/zinc/34/07/23/968340723.db2.gz ULLVMBXESULZJH-HNNXBMFYSA-N -1 0 326.824 3.543 20 0 EHADRM CCCCn1ncc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)c1C ZINC000417756510 968346555 /nfs/dbraw/zinc/34/65/55/968346555.db2.gz DMIJMUNBQZSKGJ-UHFFFAOYSA-N -1 0 344.415 3.653 20 0 EHADRM CSc1ccc(NC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1Cl ZINC000630561345 968536947 /nfs/dbraw/zinc/53/69/47/968536947.db2.gz FUBZGRLARRUCMV-ONGXEEELSA-N -1 0 342.848 3.636 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1nc(Cc2ccccc2)cs1 ZINC000653284450 968637934 /nfs/dbraw/zinc/63/79/34/968637934.db2.gz GHESIJBIRARSNB-UHFFFAOYSA-N -1 0 332.425 3.563 20 0 EHADRM CC(C)[C@@H](CNC(=O)Nc1cc(Cl)c(Cl)cc1F)C(=O)[O-] ZINC000653545214 968676455 /nfs/dbraw/zinc/67/64/55/968676455.db2.gz WUCZZUMCROGFPA-SSDOTTSWSA-N -1 0 337.178 3.611 20 0 EHADRM C[C@H](CNC(=O)N(Cc1ccccc1)[C@H](C)c1cccs1)C(=O)[O-] ZINC000655883176 968704472 /nfs/dbraw/zinc/70/44/72/968704472.db2.gz VJNCPBLTLMBCFT-ZIAGYGMSSA-N -1 0 346.452 3.742 20 0 EHADRM C[C@H](CNC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000655888912 968706334 /nfs/dbraw/zinc/70/63/34/968706334.db2.gz PEFYGQCKGUQVAU-CJNGLKHVSA-N -1 0 332.444 3.551 20 0 EHADRM Cc1ccnc(Oc2cc(NC(=O)C3(C(=O)[O-])CCC3)ccc2C)c1 ZINC000663101583 968806158 /nfs/dbraw/zinc/80/61/58/968806158.db2.gz KODGFQPTVYKGKL-UHFFFAOYSA-N -1 0 340.379 3.684 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)c2ccccc21 ZINC000663121316 968823315 /nfs/dbraw/zinc/82/33/15/968823315.db2.gz XZCNLVJUXMIGMU-ILOCAZANSA-N -1 0 327.424 3.632 20 0 EHADRM Cc1cc(N(C)C)cc(C)c1NC(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC000663350168 968836128 /nfs/dbraw/zinc/83/61/28/968836128.db2.gz RSAGWPJYXHPEOD-HNNXBMFYSA-N -1 0 349.475 3.628 20 0 EHADRM C[C@@H]1CN(C(=O)c2sccc2-c2ccc(F)cc2)CC[C@@H]1C(=O)[O-] ZINC000823340628 969204339 /nfs/dbraw/zinc/20/43/39/969204339.db2.gz KIJBOKIKNNKDBO-RISCZKNCSA-N -1 0 347.411 3.737 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(SC(F)F)cc2)CC[C@@H]1C(=O)[O-] ZINC000864586091 969331327 /nfs/dbraw/zinc/33/13/27/969331327.db2.gz OVZZJTCYKSUXIC-CABZTGNLSA-N -1 0 344.383 3.576 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N2CCC(c3ccccc3F)CC2)o1 ZINC000901776257 969473229 /nfs/dbraw/zinc/47/32/29/969473229.db2.gz UZHUDAAVPZQZKC-VURMDHGXSA-N -1 0 343.354 3.536 20 0 EHADRM C[C@]1(c2ccccc2)CCCN1C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC000902696414 969556691 /nfs/dbraw/zinc/55/66/91/969556691.db2.gz JVOYHGHRIFBPRT-OLHLWXQYSA-N -1 0 325.364 3.529 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N3CCCC[C@@H]3CC(=O)[O-])c(Cl)c2c1 ZINC001331883701 969718793 /nfs/dbraw/zinc/71/87/93/969718793.db2.gz VTLBZALHJRXJKK-LLVKDONJSA-N -1 0 334.803 3.599 20 0 EHADRM O=C([O-])c1cccc(NC(=O)Nc2ccc([C@@H]3CCOC3)cc2)c1 ZINC001574599838 969865807 /nfs/dbraw/zinc/86/58/07/969865807.db2.gz MGKGUOVEBBYSPL-CQSZACIVSA-N -1 0 326.352 3.533 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)c1cc(F)c(F)c(F)c1F ZINC000317710826 970380851 /nfs/dbraw/zinc/38/08/51/970380851.db2.gz FVJDTFNTOFDETP-UHFFFAOYSA-N -1 0 333.262 3.563 20 0 EHADRM Cc1sc(NC(=O)N2CCSC(C)(C)CC2)c(C(=O)[O-])c1C ZINC000317802329 970388396 /nfs/dbraw/zinc/38/83/96/970388396.db2.gz GKFABRZQUHMYED-UHFFFAOYSA-N -1 0 342.486 3.813 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000319367659 970529504 /nfs/dbraw/zinc/52/95/04/970529504.db2.gz XFKLJVBNTSAWHJ-JGVFFNPUSA-N -1 0 335.709 3.798 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)Nc2ccc(C(=O)[O-])cc2F)c1C ZINC001610133486 970681651 /nfs/dbraw/zinc/68/16/51/970681651.db2.gz RUACHSXIZKNBQP-VIFPVBQESA-N -1 0 334.351 3.644 20 0 EHADRM Cc1ccccc1SCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000320633880 970688952 /nfs/dbraw/zinc/68/89/52/970688952.db2.gz GTTSBCWOIYGFLJ-UHFFFAOYSA-N -1 0 347.461 3.974 20 0 EHADRM Cc1cc(NC(=O)CCc2c[nH]c3ccccc23)sc1C(=O)[O-] ZINC000320667972 970694903 /nfs/dbraw/zinc/69/49/03/970694903.db2.gz MQOAZXAULBLALC-UHFFFAOYSA-N -1 0 328.393 3.807 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)COc2ccc(C)cc2C)s1 ZINC000320664496 970694958 /nfs/dbraw/zinc/69/49/58/970694958.db2.gz KLWNYNMIOIDRLA-UHFFFAOYSA-N -1 0 333.409 3.643 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCc1coc(-c2cccs2)n1 ZINC000321198720 970751914 /nfs/dbraw/zinc/75/19/14/970751914.db2.gz VWZFOVBZPZYKDG-UHFFFAOYSA-N -1 0 331.349 3.689 20 0 EHADRM CSCc1ccc(CNC(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC001604958650 972541623 /nfs/dbraw/zinc/54/16/23/972541623.db2.gz ZYZDVHKAOBWZMG-UHFFFAOYSA-N -1 0 330.409 3.570 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)c1cccc(-n2cccc2)c1 ZINC000392995277 972554064 /nfs/dbraw/zinc/55/40/64/972554064.db2.gz HQRIDVBNPUQDHI-GOSISDBHSA-N -1 0 340.423 3.631 20 0 EHADRM CSc1cccc(C)c1NC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC001604971777 972565335 /nfs/dbraw/zinc/56/53/35/972565335.db2.gz PFDTXCAIZFWPFH-CQSZACIVSA-N -1 0 344.436 3.534 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2ccccc2OC2CCCC2)CCCC1 ZINC001605863032 972616494 /nfs/dbraw/zinc/61/64/94/972616494.db2.gz FQZCXBMSVVKVBV-UHFFFAOYSA-N -1 0 332.400 3.527 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N[C@@H]1CCCc2c(F)cccc21 ZINC001605863365 972618675 /nfs/dbraw/zinc/61/86/75/972618675.db2.gz PAWUTFHIYVTKDJ-OAHLLOKOSA-N -1 0 328.343 3.723 20 0 EHADRM Cc1c(CNC(=O)C2(C(=O)[O-])CCCCC2)oc2ccc(F)cc12 ZINC001605082566 972725985 /nfs/dbraw/zinc/72/59/85/972725985.db2.gz QOSFDCMSHSDQES-UHFFFAOYSA-N -1 0 333.359 3.532 20 0 EHADRM Cc1cc(-c2ncccc2NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cs1 ZINC001605091917 972739748 /nfs/dbraw/zinc/73/97/48/972739748.db2.gz GHSGCXWNCSISPK-NWDGAFQWSA-N -1 0 330.409 3.558 20 0 EHADRM C[C@]1(F)CCCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)C1 ZINC001603346190 972747775 /nfs/dbraw/zinc/74/77/75/972747775.db2.gz HKXCXABCZULWDE-AWEZNQCLSA-N -1 0 332.734 3.533 20 0 EHADRM C[C@@H](Nc1cccc(C(=O)[O-])c1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000395264909 972784091 /nfs/dbraw/zinc/78/40/91/972784091.db2.gz YZNSATYNEVBBHJ-CZUORRHYSA-N -1 0 348.443 3.975 20 0 EHADRM C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001603354405 972789671 /nfs/dbraw/zinc/78/96/71/972789671.db2.gz IMWQHEUFYKRGAN-ZWNOBZJWSA-N -1 0 344.333 3.508 20 0 EHADRM Cc1oc(Br)cc1C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000396484894 972902746 /nfs/dbraw/zinc/90/27/46/972902746.db2.gz ZSHFRXFYIFXRLW-UHFFFAOYSA-N -1 0 338.157 3.609 20 0 EHADRM Cc1cc(NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cnc1C(F)F ZINC001605202600 972943712 /nfs/dbraw/zinc/94/37/12/972943712.db2.gz QQSBECOPZYUAJZ-NSHDSACASA-N -1 0 343.374 3.729 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1cccc(SC(F)F)c1 ZINC001603388117 972987955 /nfs/dbraw/zinc/98/79/55/972987955.db2.gz FMXHYTOEEHEBEH-VHSXEESVSA-N -1 0 344.383 3.718 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)NCc2ccccc2C(=O)[O-])cc1 ZINC001605262585 973038805 /nfs/dbraw/zinc/03/88/05/973038805.db2.gz KEEUKBYBDWKKMO-SFHVURJKSA-N -1 0 338.407 3.740 20 0 EHADRM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)Nc2ccnc(C(=O)[O-])c2)o1 ZINC001605263581 973043141 /nfs/dbraw/zinc/04/31/41/973043141.db2.gz YGADGWDCMLCMNF-IAQYHMDHSA-N -1 0 343.383 3.686 20 0 EHADRM Cc1ccc(Cl)c2sc(NC(=O)[C@]3(C(=O)[O-])CC3(C)C)nc21 ZINC001605277398 973066266 /nfs/dbraw/zinc/06/62/66/973066266.db2.gz DJWNMKWIJPLOAP-HNNXBMFYSA-N -1 0 338.816 3.698 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCCC2)C1 ZINC001605997359 973067582 /nfs/dbraw/zinc/06/75/82/973067582.db2.gz HVQKKNZVEBLKQA-DOTOQJQBSA-N -1 0 348.418 3.563 20 0 EHADRM C[C@H]1CCCN(C(=O)CCCc2ccc(C3CC3)cc2)[C@@H]1C(=O)[O-] ZINC001603407694 973072809 /nfs/dbraw/zinc/07/28/09/973072809.db2.gz OLFYXJFXAXMYJM-LIRRHRJNSA-N -1 0 329.440 3.598 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)c2c[nH]c3cccc(F)c23)c2ccccc21 ZINC001606006598 973102354 /nfs/dbraw/zinc/10/23/54/973102354.db2.gz MPWXCFXGSYFWGM-LBPRGKRZSA-N -1 0 338.338 3.526 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001605320189 973152351 /nfs/dbraw/zinc/15/23/51/973152351.db2.gz CCTNYTSTAIFQNL-JQWIXIFHSA-N -1 0 345.317 3.522 20 0 EHADRM O=C([O-])/C=C\c1cc(-c2nc(Cc3ccccc3Cl)no2)co1 ZINC001606056333 973168872 /nfs/dbraw/zinc/16/88/72/973168872.db2.gz VHPJDUVAMMEDLO-WAYWQWQTSA-N -1 0 330.727 3.672 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)NC2(Cc3ccccc3)CCCC2)co1 ZINC001606062623 973182980 /nfs/dbraw/zinc/18/29/80/973182980.db2.gz GQVISUNNCDAABP-CMDGGOBGSA-N -1 0 339.391 3.663 20 0 EHADRM Cc1cccc([C@H](NC(=O)NCC2(C(=O)[O-])CCC2)C(C)(C)C)c1 ZINC001605328951 973191024 /nfs/dbraw/zinc/19/10/24/973191024.db2.gz RAPWUJABMKSENW-HNNXBMFYSA-N -1 0 332.444 3.636 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000401347111 973357892 /nfs/dbraw/zinc/35/78/92/973357892.db2.gz NGWMQWFAISRKDY-GFCCVEGCSA-N -1 0 332.227 3.542 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)CSCc1ccc(Cl)cc1)C(=O)[O-] ZINC000401417308 973363734 /nfs/dbraw/zinc/36/37/34/973363734.db2.gz CYZNAEJXLKODHJ-ZDUSSCGKSA-N -1 0 343.876 3.579 20 0 EHADRM O=C([O-])CCCC(=O)Nc1cccc(OCc2ccc(F)cc2)c1 ZINC001606136873 973387495 /nfs/dbraw/zinc/38/74/95/973387495.db2.gz LULWKVUWJVZRKD-UHFFFAOYSA-N -1 0 331.343 3.598 20 0 EHADRM COC1(CNC(=O)Nc2ccc(C(=O)[O-])c(C)c2)CCCCCC1 ZINC001604487154 973390126 /nfs/dbraw/zinc/39/01/26/973390126.db2.gz HCHOKXGCOOIZSQ-UHFFFAOYSA-N -1 0 334.416 3.554 20 0 EHADRM CCC(=O)c1ccc(NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001603486357 973410821 /nfs/dbraw/zinc/41/08/21/973410821.db2.gz PETFKLPQHJAJQZ-CQSZACIVSA-N -1 0 334.416 3.680 20 0 EHADRM CC[C@H](C(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1)c1ccc(F)cc1 ZINC001603488722 973421629 /nfs/dbraw/zinc/42/16/29/973421629.db2.gz RBOWBXHFUDYTKK-DLBZAZTESA-N -1 0 329.371 3.570 20 0 EHADRM Cc1nc2ccc(Cl)cn2c1NC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001605416583 973426742 /nfs/dbraw/zinc/42/67/42/973426742.db2.gz RFYXOMUKOYFEOB-UHFFFAOYSA-N -1 0 349.818 3.660 20 0 EHADRM CC[C@H](C)n1nc(NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc1C ZINC001603516805 973536042 /nfs/dbraw/zinc/53/60/42/973536042.db2.gz WZYLQQMBNBFMDG-AAEUAGOBSA-N -1 0 338.452 3.564 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)Nc1nc2ccccn2c1C(=O)[O-] ZINC001603549631 973611914 /nfs/dbraw/zinc/61/19/14/973611914.db2.gz UVBOFVVMMNEPTP-CYBMUJFWSA-N -1 0 329.400 3.578 20 0 EHADRM O=C([O-])c1ccc(OC[C@@H]2CC[C@H]3C[C@H]3C2)c(Br)c1 ZINC000403662640 973683593 /nfs/dbraw/zinc/68/35/93/973683593.db2.gz SXRBOPRHUPZDEX-JFGNBEQYSA-N -1 0 325.202 3.962 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N2CCCCC[C@H]2C(F)(F)F)c1 ZINC001606311398 973724128 /nfs/dbraw/zinc/72/41/28/973724128.db2.gz SBIGROQVWRUAJI-ZDUSSCGKSA-N -1 0 344.333 3.653 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)Nc2ccc3c(c2)CCCCC3)C1 ZINC000404696858 973742828 /nfs/dbraw/zinc/74/28/28/973742828.db2.gz LWCUQXOYAKLHIF-IBGZPJMESA-N -1 0 330.428 3.674 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(CC(=O)[O-])cc2)CCc2ccccc21 ZINC000404804162 973750941 /nfs/dbraw/zinc/75/09/41/973750941.db2.gz WSWSQAOYYJIGPA-CQSZACIVSA-N -1 0 338.407 3.507 20 0 EHADRM C[C@H]1CN(C(=O)CC2(CC(=O)[O-])CCCC2)CCc2ccccc21 ZINC000404813425 973752874 /nfs/dbraw/zinc/75/28/74/973752874.db2.gz JGBRLTYOWLBQMJ-HNNXBMFYSA-N -1 0 329.440 3.600 20 0 EHADRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000405188694 973774138 /nfs/dbraw/zinc/77/41/38/973774138.db2.gz NWWQLMBGRKXZBC-QPUJVOFHSA-N -1 0 331.199 3.758 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2COc2ccccc2)o1 ZINC000538011036 1032084275 /nfs/dbraw/zinc/08/42/75/1032084275.db2.gz ADTWNVKHFXGUQG-UHFFFAOYSA-N -1 0 343.404 3.968 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)NCc2ccc(C3CCC3)cc2)C1 ZINC001603602085 973863005 /nfs/dbraw/zinc/86/30/05/973863005.db2.gz ZWJKVWIKHUFREZ-HXUWFJFHSA-N -1 0 344.455 3.741 20 0 EHADRM COc1cc2ccccc2cc1C(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001604744925 973952071 /nfs/dbraw/zinc/95/20/71/973952071.db2.gz FQQDNSJAFXXTHM-AWEZNQCLSA-N -1 0 343.423 3.715 20 0 EHADRM CCCC1CCN(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)CC1 ZINC001603635723 973971213 /nfs/dbraw/zinc/97/12/13/973971213.db2.gz IYXAFUGGRKRGRN-DLBZAZTESA-N -1 0 330.428 3.521 20 0 EHADRM O=C([O-])c1ccc(CNc2cc(-c3ccccc3)nc3ccnn32)cc1 ZINC001606494789 973976838 /nfs/dbraw/zinc/97/68/38/973976838.db2.gz AYUVVEQETXRWDT-UHFFFAOYSA-N -1 0 344.374 3.707 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)c1ccnc(-c2ccco2)c1 ZINC001606504108 973994001 /nfs/dbraw/zinc/99/40/01/973994001.db2.gz CUNYXFINDUJUIY-UHFFFAOYSA-N -1 0 348.358 3.633 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2cc3c(ccnc3Cl)s2)c1 ZINC001606511738 974005478 /nfs/dbraw/zinc/00/54/78/974005478.db2.gz VICZRVRSNUQFEV-UHFFFAOYSA-N -1 0 346.795 3.578 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c1 ZINC001606516888 974009888 /nfs/dbraw/zinc/00/98/88/974009888.db2.gz WFRRWRFGKHCIPG-NHYWBVRUSA-N -1 0 342.317 3.581 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc(C(=O)C(C)(C)C)cc1)C(=O)[O-] ZINC000424377821 974022370 /nfs/dbraw/zinc/02/23/70/974022370.db2.gz FAIYPFDPMISHNW-UHFFFAOYSA-N -1 0 348.443 3.928 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cc(C)c(OC)cc1Cl)C(=O)[O-] ZINC000424382864 974023326 /nfs/dbraw/zinc/02/33/26/974023326.db2.gz BUVWGLGLRYAZKX-UHFFFAOYSA-N -1 0 342.823 3.670 20 0 EHADRM CCC(CC)(CNC(=O)Nc1c(C)c(C)ccc1Cl)C(=O)[O-] ZINC000424383961 974023516 /nfs/dbraw/zinc/02/35/16/974023516.db2.gz DEEOHMKLNOAPTL-UHFFFAOYSA-N -1 0 326.824 3.969 20 0 EHADRM CC(C)(CCNC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1)C(=O)[O-] ZINC000424390596 974025609 /nfs/dbraw/zinc/02/56/09/974025609.db2.gz OHBMEPLSAWPBAX-CQSZACIVSA-N -1 0 338.835 3.591 20 0 EHADRM Cc1cc(C)cc([C@H](NCc2coc(-c3ccccc3)n2)C(=O)[O-])c1 ZINC000426752219 974046503 /nfs/dbraw/zinc/04/65/03/974046503.db2.gz BKIFEKNTQHTBIL-SFHVURJKSA-N -1 0 336.391 3.874 20 0 EHADRM O=C([O-])[C@H](NCc1ccc(OC(F)(F)F)cc1)c1cccs1 ZINC000426785026 974047222 /nfs/dbraw/zinc/04/72/22/974047222.db2.gz OIJNOBTYPBEZCS-GFCCVEGCSA-N -1 0 331.315 3.562 20 0 EHADRM O=C([O-])[C@H](NCc1ncc(-c2ccccc2)s1)c1ccccc1F ZINC000426780411 974048207 /nfs/dbraw/zinc/04/82/07/974048207.db2.gz RLIWCCULKPPEJL-QGZVFWFLSA-N -1 0 342.395 3.865 20 0 EHADRM CCC[C@@](C)(NC(=O)Cc1csc2ccc(Cl)cc12)C(=O)[O-] ZINC000431452681 974065347 /nfs/dbraw/zinc/06/53/47/974065347.db2.gz XTSZCNHGPQZYIL-MRXNPFEDSA-N -1 0 339.844 3.857 20 0 EHADRM CCCc1ccc(CCCC(=O)Nc2cccnc2C(=O)[O-])cc1 ZINC001603691822 974080260 /nfs/dbraw/zinc/08/02/60/974080260.db2.gz MURASEKJTYGRPC-UHFFFAOYSA-N -1 0 326.396 3.694 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccccc2Nc2ccccc2)n1 ZINC000432106327 974087721 /nfs/dbraw/zinc/08/77/21/974087721.db2.gz HPWWSAQZWCGGPQ-UHFFFAOYSA-N -1 0 333.347 3.776 20 0 EHADRM Cc1ccc(Oc2ccccc2NC(=O)c2cnc(C(=O)[O-])cn2)cc1 ZINC000439899433 974111544 /nfs/dbraw/zinc/11/15/44/974111544.db2.gz HODCDUABRCFTTQ-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM C[C@]1(c2ccccc2)CCCN(C(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC000478825462 974208602 /nfs/dbraw/zinc/20/86/02/974208602.db2.gz IXQSNDSOTJDBBP-FQEVSTJZSA-N -1 0 341.382 3.718 20 0 EHADRM C[C@H](CC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-])C1CCCCC1 ZINC000486014561 974242810 /nfs/dbraw/zinc/24/28/10/974242810.db2.gz GPTCTWMJFBCJNR-AUUYWEPGSA-N -1 0 329.440 3.804 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)no2)cc1 ZINC000500623886 974267907 /nfs/dbraw/zinc/26/79/07/974267907.db2.gz KRFYJZOCZWFKDC-UHFFFAOYSA-N -1 0 342.738 3.946 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000514877383 974294519 /nfs/dbraw/zinc/29/45/19/974294519.db2.gz TUAKBWOMDRLSMW-LESCRADOSA-N -1 0 347.455 3.874 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2ccoc2C2CC2)cc1Cl ZINC000516472811 974306104 /nfs/dbraw/zinc/30/61/04/974306104.db2.gz JEKOXAWIAMIJCT-UHFFFAOYSA-N -1 0 335.743 3.526 20 0 EHADRM COc1ccc(-c2nc(CN3CC[C@H](C)C[C@H]3C(=O)[O-])cs2)cc1 ZINC000517381623 974317239 /nfs/dbraw/zinc/31/72/39/974317239.db2.gz NLNFCQPCEZOVQD-LRDDRELGSA-N -1 0 346.452 3.504 20 0 EHADRM CCc1ccc([C@@H]2CN([C@H](C(=O)[O-])c3ccc(F)cc3)CCO2)cc1 ZINC000519642648 974331920 /nfs/dbraw/zinc/33/19/20/974331920.db2.gz KSSUJVUEWPXNHY-OALUTQOASA-N -1 0 343.398 3.587 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cnc(-c2ccccc2)nc1 ZINC000526075608 974351468 /nfs/dbraw/zinc/35/14/68/974351468.db2.gz UQSKGSMMBBNLJQ-UHFFFAOYSA-N -1 0 347.374 3.711 20 0 EHADRM CCOc1ccc(C[C@@H](C)C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001603861156 974364678 /nfs/dbraw/zinc/36/46/78/974364678.db2.gz PBBMKKDOZLHAEG-PBHICJAKSA-N -1 0 349.471 3.660 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000537476602 974385536 /nfs/dbraw/zinc/38/55/36/974385536.db2.gz XDCCKMBZDDOLKT-UHFFFAOYSA-N -1 0 349.386 3.946 20 0 EHADRM Cc1ccc(NC(=O)CCCOCCc2ccccc2)c(C(=O)[O-])c1 ZINC000542517663 974415198 /nfs/dbraw/zinc/41/51/98/974415198.db2.gz IBXBEBUBQOBBMI-UHFFFAOYSA-N -1 0 341.407 3.671 20 0 EHADRM CC[C@H](NC(=O)Nc1ccnc(C(=O)[O-])c1)c1ccc(C)c(F)c1 ZINC001603951779 974431965 /nfs/dbraw/zinc/43/19/65/974431965.db2.gz VUOWAFOCQHWTCU-AWEZNQCLSA-N -1 0 331.347 3.500 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N[C@@H](c2ccccc2)C2CCCC2)c1 ZINC000553933541 974480100 /nfs/dbraw/zinc/48/01/00/974480100.db2.gz QQLHCPCIHSGCOK-FQEVSTJZSA-N -1 0 337.419 3.975 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N(C)c1ccccc1C(C)C ZINC000558055805 974493207 /nfs/dbraw/zinc/49/32/07/974493207.db2.gz SNWMWIVXMDYORM-UHFFFAOYSA-N -1 0 347.436 3.642 20 0 EHADRM COc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2C(=O)[O-])c1 ZINC000563277019 974524291 /nfs/dbraw/zinc/52/42/91/974524291.db2.gz BEGATPXKTVNIQH-SFHVURJKSA-N -1 0 329.371 3.870 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000563423934 974530755 /nfs/dbraw/zinc/53/07/55/974530755.db2.gz ORBGGOYFCMROSV-GUYCJALGSA-N -1 0 328.412 3.722 20 0 EHADRM O=C([O-])c1cccc(CN2CCO[C@@H](c3ccsc3)C2)c1Cl ZINC000563543267 974536204 /nfs/dbraw/zinc/53/62/04/974536204.db2.gz RMBOHQSTSYPFIT-CQSZACIVSA-N -1 0 337.828 3.673 20 0 EHADRM O=C([O-])C1CC[NH+](Cc2cccc3c(Br)cccc23)CC1 ZINC000564801226 974553376 /nfs/dbraw/zinc/55/33/76/974553376.db2.gz FDYHATLOEFTINR-UHFFFAOYSA-N -1 0 348.240 3.899 20 0 EHADRM COc1ccc(Cl)cc1CN(C)[C@H](C(=O)[O-])c1ccsc1 ZINC000565957500 974592495 /nfs/dbraw/zinc/59/24/95/974592495.db2.gz PDMXIQSLRDGBEW-AWEZNQCLSA-N -1 0 325.817 3.668 20 0 EHADRM C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NC1(CC(=O)[O-])CC1 ZINC000566346197 974606698 /nfs/dbraw/zinc/60/66/98/974606698.db2.gz QEAVBGVCOYHCOI-QMMMGPOBSA-N -1 0 348.251 3.598 20 0 EHADRM CCCc1cc(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)sc1C ZINC000566701879 974620083 /nfs/dbraw/zinc/62/00/83/974620083.db2.gz ODNVPGCKQAUSEF-IBGZPJMESA-N -1 0 345.464 3.781 20 0 EHADRM Cc1ccccc1-c1nc(C(=O)N(C)[C@@H](CC(C)C)C(=O)[O-])cs1 ZINC000567292569 974631497 /nfs/dbraw/zinc/63/14/97/974631497.db2.gz UBRUYXDQFIKMDG-HNNXBMFYSA-N -1 0 346.452 3.690 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1ccoc1C1CC1 ZINC000567970710 974650397 /nfs/dbraw/zinc/65/03/97/974650397.db2.gz TVDJFXDNJAQYCD-UHFFFAOYSA-N -1 0 329.352 3.895 20 0 EHADRM Cc1cc(CN(C)Cc2c(C(=O)[O-])sc3cccc(F)c32)no1 ZINC000568060683 974657142 /nfs/dbraw/zinc/65/71/42/974657142.db2.gz KOJCZCDSQXZWSW-UHFFFAOYSA-N -1 0 334.372 3.667 20 0 EHADRM CC[C@H]1CN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CCS1 ZINC000568098836 974662160 /nfs/dbraw/zinc/66/21/60/974662160.db2.gz VQVMFMAAISVUIO-TVQRCGJNSA-N -1 0 334.268 3.947 20 0 EHADRM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000568110334 974663018 /nfs/dbraw/zinc/66/30/18/974663018.db2.gz UTAJFBFWCNZDTD-CKEIUWERSA-N -1 0 333.428 3.799 20 0 EHADRM COC(=O)CCC[C@@H]1CCC[C@H](Nc2cccc(CC(=O)[O-])c2)C1 ZINC000569319014 974687831 /nfs/dbraw/zinc/68/78/31/974687831.db2.gz RZRPBRFTNSPXCB-HOCLYGCPSA-N -1 0 333.428 3.628 20 0 EHADRM C[C@H]1[C@H](C(=O)[O-])CCN1c1nc(-c2cccs2)nc2ccccc21 ZINC000569609383 974695666 /nfs/dbraw/zinc/69/56/66/974695666.db2.gz YUQHGVPDMPFECP-NWDGAFQWSA-N -1 0 339.420 3.658 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)CCCc1ccc(F)cc1 ZINC000572253875 974744547 /nfs/dbraw/zinc/74/45/47/974744547.db2.gz DIHZWJBXOJNBBP-UHFFFAOYSA-N -1 0 345.370 3.559 20 0 EHADRM CC(C)(c1ccccc1)C1(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000572424424 974747836 /nfs/dbraw/zinc/74/78/36/974747836.db2.gz GNBLQZWIWLQFFZ-HUUCEWRRSA-N -1 0 329.440 3.504 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)[C@@H]2C[C@H]2C2CCC2)c2ccccc12 ZINC000573008009 974758519 /nfs/dbraw/zinc/75/85/19/974758519.db2.gz OLXOAGCKSJIRHW-JKSUJKDBSA-N -1 0 339.391 3.678 20 0 EHADRM O=C([O-])[C@H](c1c(F)cccc1Cl)N1CCO[C@@H](c2ccccc2)C1 ZINC000576046184 974806811 /nfs/dbraw/zinc/80/68/11/974806811.db2.gz BXOFAQLMOHCWSG-WBVHZDCISA-N -1 0 349.789 3.678 20 0 EHADRM Cc1ccc(C[C@H]2CCCN(C(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)C2)cc1 ZINC000576454897 974814617 /nfs/dbraw/zinc/81/46/17/974814617.db2.gz PNQCABQICOVMDH-GUDVDZBRSA-N -1 0 343.467 3.667 20 0 EHADRM CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3CC(=O)[O-])cs2)cc1 ZINC000577642756 974840093 /nfs/dbraw/zinc/84/00/93/974840093.db2.gz UCPNHOLTJFNACI-HNNXBMFYSA-N -1 0 346.452 3.648 20 0 EHADRM CC(C)(C)c1nc(CN(CCc2ccccc2)CC(=O)[O-])cs1 ZINC000579067211 974867443 /nfs/dbraw/zinc/86/74/43/974867443.db2.gz FOIXJGJRQXUGDL-UHFFFAOYSA-N -1 0 332.469 3.570 20 0 EHADRM CCCN(CC(F)F)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000583147847 974936985 /nfs/dbraw/zinc/93/69/85/974936985.db2.gz QYQHBTDYLZRIFW-GFCCVEGCSA-N -1 0 336.176 3.552 20 0 EHADRM Cn1c(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc2ccccc21 ZINC000614630985 975021333 /nfs/dbraw/zinc/02/13/33/975021333.db2.gz SRDFIQHWMCDTNS-UHFFFAOYSA-N -1 0 328.755 3.782 20 0 EHADRM CC[C@H](C)CC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000621553860 975030843 /nfs/dbraw/zinc/03/08/43/975030843.db2.gz MYMGAVNZAILYET-VIFPVBQESA-N -1 0 333.306 3.701 20 0 EHADRM C[C@H](NC(=O)C1(c2ccccc2)CCCC1)c1ncc(C(=O)[O-])s1 ZINC000621610748 975060081 /nfs/dbraw/zinc/06/00/81/975060081.db2.gz OVPOAKZXFPXYNB-LBPRGKRZSA-N -1 0 344.436 3.531 20 0 EHADRM C[C@@H](NC(=O)[C@@H](C)CCCc1ccccc1)c1ncc(C(=O)[O-])s1 ZINC000621611463 975060616 /nfs/dbraw/zinc/06/06/16/975060616.db2.gz CVUMCVYDNGYXFZ-QWHCGFSZSA-N -1 0 346.452 3.678 20 0 EHADRM C[C@H](NC(=O)CCC(C)(C)c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC000621611504 975060685 /nfs/dbraw/zinc/06/06/85/975060685.db2.gz DPNGCXIWULVRQD-LBPRGKRZSA-N -1 0 346.452 3.777 20 0 EHADRM C[C@H]1CN(c2nccc3cc(Br)ccc32)CC[C@H]1C(=O)[O-] ZINC000629769006 975095937 /nfs/dbraw/zinc/09/59/37/975095937.db2.gz STGUCQMDLLOLOO-GXFFZTMASA-N -1 0 349.228 3.544 20 0 EHADRM Cc1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)oc1C(=O)[O-] ZINC000630103819 975102820 /nfs/dbraw/zinc/10/28/20/975102820.db2.gz DZYQPUHHBMITLC-CQSZACIVSA-N -1 0 333.771 3.821 20 0 EHADRM CCSc1ccc([C@@H](C)NC(=O)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC000630115570 975107562 /nfs/dbraw/zinc/10/75/62/975107562.db2.gz DZLYVBWXJQBJJR-LLVKDONJSA-N -1 0 333.409 3.889 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C[C@H](C)c1ccco1 ZINC000630127859 975113451 /nfs/dbraw/zinc/11/34/51/975113451.db2.gz VRSOVMFQLLEULK-LBPRGKRZSA-N -1 0 331.368 3.897 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)[C@H]1Cc2ccc(Cl)cc21)c1ccccc1 ZINC000630131115 975116534 /nfs/dbraw/zinc/11/65/34/975116534.db2.gz MCAVKBGTNHMOGW-MZPVMMEZSA-N -1 0 343.810 3.558 20 0 EHADRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000630147897 975129548 /nfs/dbraw/zinc/12/95/48/975129548.db2.gz WJRDRXIXSFVWDR-LSDHHAIUSA-N -1 0 349.839 3.618 20 0 EHADRM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2cncc(C(=O)[O-])c2)cc1 ZINC000630169720 975141130 /nfs/dbraw/zinc/14/11/30/975141130.db2.gz FHCMUCWPISKPGJ-KSSFIOAISA-N -1 0 338.407 3.702 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc3c(ccc4ccccc34)o2)[C@@H](C(=O)[O-])C1 ZINC000630187074 975147698 /nfs/dbraw/zinc/14/76/98/975147698.db2.gz HYXCMUZJPMEZIX-BLLLJJGKSA-N -1 0 337.375 3.911 20 0 EHADRM O=C([O-])c1ccc2c(c1)[C@@H](CNC(=O)[C@H]1CCCC13CC3)CCC2 ZINC000630206838 975159025 /nfs/dbraw/zinc/15/90/25/975159025.db2.gz MVRTVKNZSWLXQV-NVXWUHKLSA-N -1 0 327.424 3.501 20 0 EHADRM Cc1cc(C)c(C(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)s1 ZINC000630216406 975163451 /nfs/dbraw/zinc/16/34/51/975163451.db2.gz FCPSLKUVDLCIMD-GJZGRUSLSA-N -1 0 329.421 3.795 20 0 EHADRM CC(C)(NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1nc2ccccc2s1 ZINC000630232292 975179851 /nfs/dbraw/zinc/17/98/51/975179851.db2.gz IQCZSJOXECRXHS-VXGBXAGGSA-N -1 0 346.452 3.539 20 0 EHADRM CCC(CC)(C(=O)NCc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC000630232428 975179928 /nfs/dbraw/zinc/17/99/28/975179928.db2.gz KCNNXTKHMQTHJX-UHFFFAOYSA-N -1 0 339.435 3.688 20 0 EHADRM CCC[C@@H]1CCC[C@@H]1C(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000630242821 975188438 /nfs/dbraw/zinc/18/84/38/975188438.db2.gz UHTSSZJJNDVADR-OLZOCXBDSA-N -1 0 333.403 3.625 20 0 EHADRM C[C@@H](Oc1ccc(NC(=O)c2cccc(C3CC3)c2)cc1F)C(=O)[O-] ZINC000630260103 975204256 /nfs/dbraw/zinc/20/42/56/975204256.db2.gz HDKMXWHOLQWIFU-LLVKDONJSA-N -1 0 343.354 3.807 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1ccccc1C(F)(F)F)C1CCCCC1 ZINC000630263001 975205948 /nfs/dbraw/zinc/20/59/48/975205948.db2.gz SFUQHVUQJRIDQC-ZDUSSCGKSA-N -1 0 343.345 3.716 20 0 EHADRM CC1(C)[C@H](c2cccc(F)c2)CCN1C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000630274326 975219160 /nfs/dbraw/zinc/21/91/60/975219160.db2.gz MXIRCUWQFZHUJT-INMHGKMJSA-N -1 0 347.430 3.811 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]2CCC[C@@H]21 ZINC000630284489 975229100 /nfs/dbraw/zinc/22/91/00/975229100.db2.gz XBQBNGSHNGEKKU-JTNHKYCSSA-N -1 0 342.222 3.709 20 0 EHADRM Cn1ncc(C2CCC2)c1C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC000630287175 975231612 /nfs/dbraw/zinc/23/16/12/975231612.db2.gz KLWYSKGEQCACSR-UHFFFAOYSA-N -1 0 349.390 3.791 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000630294221 975235196 /nfs/dbraw/zinc/23/51/96/975235196.db2.gz HAIUVQJSHRNFBZ-WTNVTLLGSA-N -1 0 329.440 3.671 20 0 EHADRM CCCCN(C(=O)c1cccc(CC(=O)[O-])c1)[C@@H]1CCCC[C@H]1OC ZINC000630302956 975240313 /nfs/dbraw/zinc/24/03/13/975240313.db2.gz MVIMLWCVRFVSCY-QZTJIDSGSA-N -1 0 347.455 3.514 20 0 EHADRM CCCOc1ccc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)cc1OC ZINC000630304642 975241413 /nfs/dbraw/zinc/24/14/13/975241413.db2.gz CHADDJLTUGBNEC-UHFFFAOYSA-N -1 0 343.379 3.743 20 0 EHADRM Cc1ccc(C)c(S([O-])=CC(=O)N(C)[C@@H](C)c2ccccc2)c1 ZINC000107967296 1014246436 /nfs/dbraw/zinc/24/64/36/1014246436.db2.gz ZILFDPQSPQPZMD-QMHKHESXSA-N -1 0 329.465 3.631 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3C4CCC3(C(=O)[O-])CC4)s2)o1 ZINC000630323160 975251479 /nfs/dbraw/zinc/25/14/79/975251479.db2.gz BNOPNCFCTQYCRI-UHFFFAOYSA-N -1 0 331.393 3.538 20 0 EHADRM CCCOc1cccc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c1 ZINC000630327517 975254190 /nfs/dbraw/zinc/25/41/90/975254190.db2.gz KNYRJLMNUBWJKE-ZWKOTPCHSA-N -1 0 339.391 3.916 20 0 EHADRM Cc1cc(C(F)F)oc1C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000630331430 975259583 /nfs/dbraw/zinc/25/95/83/975259583.db2.gz ZPMAFZVLDIFTEH-NWDGAFQWSA-N -1 0 335.306 3.966 20 0 EHADRM O=C([O-])CC1(CC(=O)NCC2(C(F)(F)F)CCCC2)CCCC1 ZINC000634850452 975278880 /nfs/dbraw/zinc/27/88/80/975278880.db2.gz ZQAXIIGIZLRHHI-UHFFFAOYSA-N -1 0 335.366 3.651 20 0 EHADRM O=C([O-])c1cccc(CN2CCO[C@@H](c3c(F)cccc3Cl)C2)c1 ZINC000647377433 975358490 /nfs/dbraw/zinc/35/84/90/975358490.db2.gz JIUOBSFTYPJDKA-MRXNPFEDSA-N -1 0 349.789 3.751 20 0 EHADRM COc1cc([C@H](C)Nc2ccc(C(=O)[O-])cn2)ccc1OC(C)C ZINC000647448458 975361392 /nfs/dbraw/zinc/36/13/92/975361392.db2.gz KZQZXAOECKMDJZ-LBPRGKRZSA-N -1 0 330.384 3.749 20 0 EHADRM Cc1cnc(C2CCN(c3ncc(C(=O)[O-])cc3Cl)CC2)s1 ZINC000647453370 975364170 /nfs/dbraw/zinc/36/41/70/975364170.db2.gz DUJCWVNTSUAZRG-UHFFFAOYSA-N -1 0 337.832 3.582 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1cc2cccc(Cl)c2s1 ZINC000647727590 975375280 /nfs/dbraw/zinc/37/52/80/975375280.db2.gz RDPPPIPRZXULKY-UHFFFAOYSA-N -1 0 325.817 3.930 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCSc1ccccc1)c1cccs1 ZINC000648047716 975380064 /nfs/dbraw/zinc/38/00/64/975380064.db2.gz ADXYPEJPCCGLSY-CYBMUJFWSA-N -1 0 335.450 3.563 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@]2(C)CCc3ccccc32)cc1 ZINC000649245765 975385859 /nfs/dbraw/zinc/38/58/59/975385859.db2.gz WZGKHIPCIFHWLA-OAQYLSRUSA-N -1 0 337.419 3.891 20 0 EHADRM C[C@@H](CC(=O)N1CCc2cccc(C(=O)[O-])c2C1)c1ccc(F)cc1 ZINC000649258170 975399236 /nfs/dbraw/zinc/39/92/36/975399236.db2.gz JZWUNWWYXVLUCZ-ZDUSSCGKSA-N -1 0 341.382 3.602 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N(C)Cc3ccsc3)c12 ZINC000649383228 975409806 /nfs/dbraw/zinc/40/98/06/975409806.db2.gz GGLDUEACGYWAFV-UHFFFAOYSA-N -1 0 333.438 3.704 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@H](C)c2ccc(Cl)cc2)c(C)c1 ZINC000107971112 1014259120 /nfs/dbraw/zinc/25/91/20/1014259120.db2.gz ZKSUJGFWHACVSE-FATZIPQQSA-N -1 0 349.883 3.942 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)c(C)c1 ZINC000107971205 1014260935 /nfs/dbraw/zinc/26/09/35/1014260935.db2.gz DLDRUZPDFRAICR-HKARXFIJSA-N -1 0 333.497 3.592 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1Cc1cc(Br)cc(F)c1F ZINC000650507140 975449596 /nfs/dbraw/zinc/44/95/96/975449596.db2.gz IMVHUJLOJSUKGO-LLVKDONJSA-N -1 0 348.187 3.557 20 0 EHADRM C[C@H](C(=O)N(CCC(=O)[O-])Cc1ccccc1)c1ccc(Cl)cc1 ZINC000652050717 975458151 /nfs/dbraw/zinc/45/81/51/975458151.db2.gz KJACNLYUHDPRGH-AWEZNQCLSA-N -1 0 345.826 3.947 20 0 EHADRM CC(C)OC(=O)CS[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001591681974 975472787 /nfs/dbraw/zinc/47/27/87/975472787.db2.gz CTVHMFUTBYMXGW-LBPRGKRZSA-N -1 0 336.331 3.516 20 0 EHADRM Cc1c(CN(C)C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)oc2c1cccc2C ZINC000652121671 975508505 /nfs/dbraw/zinc/50/85/05/975508505.db2.gz QSZGDSQAYINPBQ-SHTZXODSSA-N -1 0 343.423 3.899 20 0 EHADRM Cc1ccc(CCCC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC000653331077 975591464 /nfs/dbraw/zinc/59/14/64/975591464.db2.gz MPDQUHHTVQJHIP-SJORKVTESA-N -1 0 343.448 3.809 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N2CCC[C@H]2CC2CCCCC2)c1 ZINC000653639222 975604179 /nfs/dbraw/zinc/60/41/79/975604179.db2.gz GEYBVYAAOKPJDM-SFHVURJKSA-N -1 0 329.440 3.889 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1cccc(CC(=O)[O-])c1 ZINC000653639393 975604487 /nfs/dbraw/zinc/60/44/87/975604487.db2.gz ONMYYGAUTYJQMD-HNNXBMFYSA-N -1 0 339.435 3.800 20 0 EHADRM CCN(C(=O)c1cccc(CC(=O)[O-])c1)[C@H](C)c1ccc(F)cc1 ZINC000653639012 975604583 /nfs/dbraw/zinc/60/45/83/975604583.db2.gz MSSDXFLNGVTIFT-CYBMUJFWSA-N -1 0 329.371 3.676 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2cccc(CC(=O)[O-])c2)C1 ZINC000653644591 975613835 /nfs/dbraw/zinc/61/38/35/975613835.db2.gz YEUBSAYOXZMNTB-FZKQIMNGSA-N -1 0 341.382 3.676 20 0 EHADRM C[C@@H](C(=O)NCCC(C)(C)C(=O)[O-])c1c(Cl)cccc1Cl ZINC000653651058 975616118 /nfs/dbraw/zinc/61/61/18/975616118.db2.gz HMWPKZFOXNGHTC-SECBINFHSA-N -1 0 332.227 3.714 20 0 EHADRM CC(C)(C)OC1CC(CC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])C1 ZINC000909664445 1032090258 /nfs/dbraw/zinc/09/02/58/1032090258.db2.gz GJNYEJCVIDMQLX-GPANFISMSA-N -1 0 339.476 3.510 20 0 EHADRM C[C@@H]1CN(Cc2cccc(C(=O)[O-])c2Cl)CC2(CCCCC2)O1 ZINC000656192535 975647632 /nfs/dbraw/zinc/64/76/32/975647632.db2.gz ZPIYXKUOSBQUFH-CYBMUJFWSA-N -1 0 337.847 3.962 20 0 EHADRM COc1ccc(-c2csc(CNC(=O)C[C@H](C)CC(=O)[O-])c2)cc1 ZINC000656234320 975648772 /nfs/dbraw/zinc/64/87/72/975648772.db2.gz ZKACPIDRACVSOY-LBPRGKRZSA-N -1 0 347.436 3.541 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)C[C@@H](C)CC(=O)[O-])cc1F ZINC000656249335 975658059 /nfs/dbraw/zinc/65/80/59/975658059.db2.gz VVZDRPCAMKRJJD-GFCCVEGCSA-N -1 0 325.380 3.690 20 0 EHADRM CC(C)OCCCC(=O)OCc1c2ccccc2sc1C(=O)[O-] ZINC001591722115 975658490 /nfs/dbraw/zinc/65/84/90/975658490.db2.gz HKMLAOGKJGKUDX-UHFFFAOYSA-N -1 0 336.409 3.848 20 0 EHADRM C[C@@H](NC(=O)C1(C(=O)[O-])CC2(CCC2)C1)c1cc2ccccc2o1 ZINC000659118556 975714834 /nfs/dbraw/zinc/71/48/34/975714834.db2.gz JPDPNOCQSFADPB-GFCCVEGCSA-N -1 0 327.380 3.645 20 0 EHADRM O=C([O-])CCCOc1ccc(CNC(=O)[C@@H]2CCCC3(CC3)C2)cc1 ZINC000659133825 975733110 /nfs/dbraw/zinc/73/31/10/975733110.db2.gz JOAAPTZEVLOGCV-MRXNPFEDSA-N -1 0 345.439 3.517 20 0 EHADRM CC(C)c1cccc(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000659147822 975747990 /nfs/dbraw/zinc/74/79/90/975747990.db2.gz DCZPPJGSYKPWEK-HXUWFJFHSA-N -1 0 325.408 3.582 20 0 EHADRM COc1cc(NC(=O)[C@]2(c3ccccc3)CC2(C)C)ccc1C(=O)[O-] ZINC000659152670 975752887 /nfs/dbraw/zinc/75/28/87/975752887.db2.gz CNCFOSPOGUZGLT-HXUWFJFHSA-N -1 0 339.391 3.700 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)NC(C)(C)c1cccc(Cl)c1F ZINC000659153514 975754155 /nfs/dbraw/zinc/75/41/55/975754155.db2.gz IYLMIHBGKUSRRO-UHFFFAOYSA-N -1 0 339.750 3.744 20 0 EHADRM C[C@H](NC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21)c1ccc(OCC(=O)[O-])cc1 ZINC000659155445 975755318 /nfs/dbraw/zinc/75/53/18/975755318.db2.gz COLUMGNWLKFEER-CKNFYHOISA-N -1 0 345.439 3.544 20 0 EHADRM Cc1cc([C@H](NC(=O)c2cccc(CC(=O)[O-])c2)C2CC2)ccc1F ZINC000659166753 975765501 /nfs/dbraw/zinc/76/55/01/975765501.db2.gz XDVKWNRKSKMFHT-LJQANCHMSA-N -1 0 341.382 3.642 20 0 EHADRM CC(C)Oc1c(NC(=O)N[C@@H]2C[C@]2(C)C(C)C)cccc1C(=O)[O-] ZINC001591744235 975766530 /nfs/dbraw/zinc/76/65/30/975766530.db2.gz KIZDIRUJJRDVBT-RDTXWAMCSA-N -1 0 334.416 3.728 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2csc3c2CCCC3)[C@@H]2CCCC[C@H]12 ZINC000659195876 975800185 /nfs/dbraw/zinc/80/01/85/975800185.db2.gz RTBQMQUYBUGQMR-XNRPHZJLSA-N -1 0 347.480 3.732 20 0 EHADRM O=C([O-])C[C@@H](CNC(=O)CCCc1csc2ccccc12)C1CC1 ZINC000659210413 975822156 /nfs/dbraw/zinc/82/21/56/975822156.db2.gz SSEJSOCDQUZTHF-HNNXBMFYSA-N -1 0 345.464 3.841 20 0 EHADRM Cc1sc(C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)cc1-c1ccc(F)cc1 ZINC000659230652 975841403 /nfs/dbraw/zinc/84/14/03/975841403.db2.gz WBZJEENESYRONE-XBXGTLAGSA-N -1 0 347.411 3.798 20 0 EHADRM CC(C)Oc1ccc(C(=O)NC2(C(=O)[O-])CCCCC2)c(Cl)c1 ZINC001591760986 975844445 /nfs/dbraw/zinc/84/44/45/975844445.db2.gz FTSWYVINNBSQCD-UHFFFAOYSA-N -1 0 339.819 3.645 20 0 EHADRM CC(C)Oc1ccc(C(=O)Nc2cc(F)cc(C(=O)[O-])c2F)cc1 ZINC001591762319 975858394 /nfs/dbraw/zinc/85/83/94/975858394.db2.gz ZTSQOJYGLAOHKK-UHFFFAOYSA-N -1 0 335.306 3.703 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N(CC1CC1)CC1CC1 ZINC001591763328 975866084 /nfs/dbraw/zinc/86/60/84/975866084.db2.gz NYABLINPOCCXQV-UHFFFAOYSA-N -1 0 346.427 3.826 20 0 EHADRM CC[C@H](OCCN1Cc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000659790543 975877567 /nfs/dbraw/zinc/87/75/67/975877567.db2.gz HOIGKXQBMFQGJM-IBGZPJMESA-N -1 0 325.408 3.868 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC[C@H]1C[C@@]1(C)Br ZINC001591771963 975902749 /nfs/dbraw/zinc/90/27/49/975902749.db2.gz SKPNYNNCAWDCBG-IAQYHMDHSA-N -1 0 342.233 3.757 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)C2[C@H]3CCCCCC[C@H]23)c2ccccc21 ZINC000663121317 975925703 /nfs/dbraw/zinc/92/57/03/975925703.db2.gz XZCNLVJUXMIGMU-NXOAAHMSSA-N -1 0 327.424 3.632 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1ccsc1Cl)C(=O)[O-] ZINC000668268746 975978112 /nfs/dbraw/zinc/97/81/12/975978112.db2.gz ZUHBWKZSVUWWTE-NSHDSACASA-N -1 0 337.828 3.765 20 0 EHADRM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)Cc1ccccc1C(=O)[O-] ZINC000668299139 975991169 /nfs/dbraw/zinc/99/11/69/975991169.db2.gz VPURRNTUVFMQKN-SFHVURJKSA-N -1 0 341.407 3.546 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H](C2CCCCC2)C(F)(F)F)c(F)c1 ZINC000668301651 975991294 /nfs/dbraw/zinc/99/12/94/975991294.db2.gz OXUVMZFVVHERAU-CYBMUJFWSA-N -1 0 347.308 3.765 20 0 EHADRM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1ccc(C(=O)[O-])s1 ZINC000668298972 975991713 /nfs/dbraw/zinc/99/17/13/975991713.db2.gz PEOMYMNADURBEE-ZDUSSCGKSA-N -1 0 333.409 3.678 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000669435095 976001897 /nfs/dbraw/zinc/00/18/97/976001897.db2.gz TWFYHSGETNMSFX-FUHWJXTLSA-N -1 0 337.419 3.860 20 0 EHADRM CC(C)Oc1cccc([C@H](C)OC(=O)c2ccoc2CC(=O)[O-])c1 ZINC001591795793 976002171 /nfs/dbraw/zinc/00/21/71/976002171.db2.gz LTQBSRQLCPKIJQ-LBPRGKRZSA-N -1 0 332.352 3.612 20 0 EHADRM CC(C)Oc1cccc(NC(=O)NC[C@H](C(=O)[O-])C2CCCCC2)c1 ZINC001591796502 976009245 /nfs/dbraw/zinc/00/92/45/976009245.db2.gz MDISSGNVWUZIBA-KRWDZBQOSA-N -1 0 348.443 3.876 20 0 EHADRM CC(C)Oc1cccc(NC(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)c1 ZINC001591796503 976009450 /nfs/dbraw/zinc/00/94/50/976009450.db2.gz MDISSGNVWUZIBA-QGZVFWFLSA-N -1 0 348.443 3.876 20 0 EHADRM Cc1oc(CN(C)C(=O)c2ccc(CC(C)C)cc2)cc1C(=O)[O-] ZINC000676003219 976026667 /nfs/dbraw/zinc/02/66/67/976026667.db2.gz VTRHCBUKRUSDED-UHFFFAOYSA-N -1 0 329.396 3.757 20 0 EHADRM CC(C)SCC(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001591823180 976073617 /nfs/dbraw/zinc/07/36/17/976073617.db2.gz GOUMGHIFUMAHLE-LBPRGKRZSA-N -1 0 337.224 3.804 20 0 EHADRM CC(C)Sc1c(Cl)cccc1NC(=O)NOCCCC(=O)[O-] ZINC001591828123 976083136 /nfs/dbraw/zinc/08/31/36/976083136.db2.gz BENUVUMOMKMRBP-UHFFFAOYSA-N -1 0 346.836 3.758 20 0 EHADRM O=C([O-])C1(CNC(=O)CC2CCC(C(F)(F)F)CC2)CCCC1 ZINC000683316546 976085883 /nfs/dbraw/zinc/08/58/83/976085883.db2.gz QVQXGGBXEMVVRO-UHFFFAOYSA-N -1 0 335.366 3.506 20 0 EHADRM Cc1ccc(Nc2cnc(Cl)c(Br)n2)cc1C(=O)[O-] ZINC001211599675 1030866864 /nfs/dbraw/zinc/86/68/64/1030866864.db2.gz SVJJYMNMYXMREU-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM CC(C)c1[nH]ccc1C(=O)N[C@]1(C(=O)[O-])CC[C@H](C)c2ccccc21 ZINC001591918797 976387026 /nfs/dbraw/zinc/38/70/26/976387026.db2.gz YTTNCRAKUOQHRC-RNODOKPDSA-N -1 0 340.423 3.745 20 0 EHADRM CC(C)c1cc(C(=O)N[C@H](CC(C)(C)C)C(=O)[O-])c2ccccc2n1 ZINC001591925447 976404945 /nfs/dbraw/zinc/40/49/45/976404945.db2.gz BCKKZWOKWGQBLG-QGZVFWFLSA-N -1 0 342.439 3.977 20 0 EHADRM CC(C)c1ccc(-c2noc([C@H]3CC[C@@H](CCC(=O)[O-])O3)n2)cc1 ZINC001591943487 976479635 /nfs/dbraw/zinc/47/96/35/976479635.db2.gz LWYYLAUMFPOFAW-LSDHHAIUSA-N -1 0 330.384 3.945 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)OCc2cnc(C(=O)[O-])cn2)cc1 ZINC001591948332 976499450 /nfs/dbraw/zinc/49/94/50/976499450.db2.gz FKKDUJFTNBXGGO-ZDUSSCGKSA-N -1 0 342.395 3.535 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)cc1 ZINC001591948778 976502074 /nfs/dbraw/zinc/50/20/74/976502074.db2.gz KDMZPQZJBWUROX-RKFDQTAWSA-N -1 0 341.451 3.829 20 0 EHADRM CC(C)c1ccc([C@H]2CCCN2C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cc1 ZINC001591949768 976510222 /nfs/dbraw/zinc/51/02/22/976510222.db2.gz ZNEKTIISLONYEK-IXDOHACOSA-N -1 0 330.428 3.520 20 0 EHADRM CC(C)c1ccc(CN(C)C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)cc1 ZINC001591954104 976521515 /nfs/dbraw/zinc/52/15/15/976521515.db2.gz JRFUOLCJLCZSDJ-WBVHZDCISA-N -1 0 332.444 3.595 20 0 EHADRM CC(C)c1ccc(CN(C)C(=O)c2ccsc2CC(=O)[O-])cc1 ZINC001591954209 976522844 /nfs/dbraw/zinc/52/28/44/976522844.db2.gz NPIYZTZMGWNQAV-UHFFFAOYSA-N -1 0 331.437 3.771 20 0 EHADRM CC(C)c1ccc(NC(=O)CSCc2cccnc2)c(C(=O)[O-])c1 ZINC001591964958 976553674 /nfs/dbraw/zinc/55/36/74/976553674.db2.gz ASAQVCMDAHWCQN-UHFFFAOYSA-N -1 0 344.436 3.775 20 0 EHADRM CC(C)c1ccc2c(c1)sc(C(=O)N[C@H](CF)C(=O)[O-])c2Cl ZINC001591973558 976577582 /nfs/dbraw/zinc/57/75/82/976577582.db2.gz FHWYDHAWDUFKEM-SNVBAGLBSA-N -1 0 343.807 3.831 20 0 EHADRM CC(C)c1cccc(OCC(=O)OCc2cccc(C(=O)[O-])c2)c1 ZINC001591994496 976632749 /nfs/dbraw/zinc/63/27/49/976632749.db2.gz NUYWNVALKCDGHY-UHFFFAOYSA-N -1 0 328.364 3.630 20 0 EHADRM CC(C)c1cccc2c1N(C(=O)c1csc(C(=O)[O-])n1)CCC2 ZINC001591995164 976640095 /nfs/dbraw/zinc/64/00/95/976640095.db2.gz ZLUYZALBLFTLDT-UHFFFAOYSA-N -1 0 330.409 3.558 20 0 EHADRM CC(C)c1cnc(COC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)s1 ZINC001592002541 976650284 /nfs/dbraw/zinc/65/02/84/976650284.db2.gz HNGDBVDBCBVQHN-SCLBCKFNSA-N -1 0 345.420 3.568 20 0 EHADRM CC(C)c1nc(NC(=O)[C@H]2CSc3ccccc32)sc1C(=O)[O-] ZINC001592021572 976716176 /nfs/dbraw/zinc/71/61/76/976716176.db2.gz FRPFWWRXZFCZTG-JTQLQIEISA-N -1 0 348.449 3.793 20 0 EHADRM CC(C)c1nc(N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc(C(C)(C)C)n1 ZINC001592023011 976723579 /nfs/dbraw/zinc/72/35/79/976723579.db2.gz WSEPJLLDIVSZQO-JLTOFOAXSA-N -1 0 345.487 3.979 20 0 EHADRM CC(C)c1ncsc1NC(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC001592042881 976772344 /nfs/dbraw/zinc/77/23/44/976772344.db2.gz XOVCJOQNBNVSHV-FZMZJTMJSA-N -1 0 347.440 3.850 20 0 EHADRM CC(C)c1sc(NC(=O)c2conc2C2CCCC2)nc1C(=O)[O-] ZINC001592115013 976911983 /nfs/dbraw/zinc/91/19/83/976911983.db2.gz QXIIXZTZPMFHBT-UHFFFAOYSA-N -1 0 349.412 3.863 20 0 EHADRM C[C@H](C1CCCCC1)N(C)C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001592181513 977107376 /nfs/dbraw/zinc/10/73/76/977107376.db2.gz OAAUZESXAPOFHR-LLVKDONJSA-N -1 0 344.415 3.694 20 0 EHADRM C[C@H](C1CC1)n1cc(NCc2ccnc3c(C(=O)[O-])cccc23)cn1 ZINC001592181593 977108885 /nfs/dbraw/zinc/10/88/85/977108885.db2.gz OXAKGTRIMWBCBZ-GFCCVEGCSA-N -1 0 336.395 3.713 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CC[C@H](c2ccco2)C1 ZINC000654769436 1014377624 /nfs/dbraw/zinc/37/76/24/1014377624.db2.gz HLGCRRKFISUENB-JTQLQIEISA-N -1 0 325.286 3.634 20 0 EHADRM C[C@H](/C=C/C(=O)[O-])NC(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC001592202734 977221621 /nfs/dbraw/zinc/22/16/21/977221621.db2.gz DNFIFJUMLVTWQW-YSKGHYERSA-N -1 0 329.440 3.795 20 0 EHADRM C[C@H](CC(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21)n1cccc1 ZINC001592239579 977449495 /nfs/dbraw/zinc/44/94/95/977449495.db2.gz CHTJQVZRSYXNSR-AUUYWEPGSA-N -1 0 336.391 3.535 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)C1CCCCC1 ZINC001592268896 977525581 /nfs/dbraw/zinc/52/55/81/977525581.db2.gz KVKOKNQGGJYAPT-NSHDSACASA-N -1 0 329.400 3.806 20 0 EHADRM C[C@@H](CC(=O)Nc1cccc(SCCC(=O)[O-])c1)c1ccco1 ZINC001592273999 977545537 /nfs/dbraw/zinc/54/55/37/977545537.db2.gz IILOAOIUJDKZIS-LBPRGKRZSA-N -1 0 333.409 3.979 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)Nc1ccc(C(F)F)cc1)c1ccncc1 ZINC001592297521 977637750 /nfs/dbraw/zinc/63/77/50/977637750.db2.gz NMKAXVAZKLBILA-KRWDZBQOSA-N -1 0 349.337 3.531 20 0 EHADRM C/C=C\C[C@@H](NC(=O)Nc1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000654798619 1014420111 /nfs/dbraw/zinc/42/01/11/1014420111.db2.gz MVBKLTBFXMBMIJ-XQJDBVBESA-N -1 0 344.333 3.722 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Oc1ccc(Cl)c(Br)c1 ZINC001592401193 977966772 /nfs/dbraw/zinc/96/67/72/977966772.db2.gz ISJBMQYFQQALIH-ZETCQYMHSA-N -1 0 335.581 3.509 20 0 EHADRM C[C@H](CC(=O)O[C@H](C(=O)[O-])c1ccccc1C(F)(F)F)C1CC1 ZINC001592424586 978046482 /nfs/dbraw/zinc/04/64/82/978046482.db2.gz UHAFZTMJENCBED-OTYXRUKQSA-N -1 0 330.302 3.811 20 0 EHADRM Cn1cccc1[C@H]1CCCN1Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000034872617 1014455791 /nfs/dbraw/zinc/45/57/91/1014455791.db2.gz IHVDWUHWQBMTSN-OAHLLOKOSA-N -1 0 348.406 3.757 20 0 EHADRM C[C@H](CC(F)(F)F)C(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-] ZINC001592452494 978144540 /nfs/dbraw/zinc/14/45/40/978144540.db2.gz LKTYFVUIYJKWOD-RXMQYKEDSA-N -1 0 327.661 3.704 20 0 EHADRM C[C@H](CCC(=O)Oc1ccc(N(C)C)c(C(=O)[O-])c1)c1ccccc1 ZINC001592471258 978230604 /nfs/dbraw/zinc/23/06/04/978230604.db2.gz WYYRFWLWPAZHGT-CQSZACIVSA-N -1 0 341.407 3.940 20 0 EHADRM C[C@H](CCCC(F)(F)F)NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001592476984 978239131 /nfs/dbraw/zinc/23/91/31/978239131.db2.gz GKNYVJVZOVEHSG-LLVKDONJSA-N -1 0 346.349 3.946 20 0 EHADRM C[C@@H](CCC(C)(C)C)NS(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001592477551 978244362 /nfs/dbraw/zinc/24/43/62/978244362.db2.gz KYRODTPVKXSXOB-JTQLQIEISA-N -1 0 347.864 3.531 20 0 EHADRM C[C@H](CCC(C)(C)C)C(=O)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001592477604 978245376 /nfs/dbraw/zinc/24/53/76/978245376.db2.gz LUTCHHAIYTVIOF-NEPJUHHUSA-N -1 0 338.473 3.620 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC001592492447 978286843 /nfs/dbraw/zinc/28/68/43/978286843.db2.gz UDXOKVWAXVCLAB-ZDUSSCGKSA-N -1 0 327.380 3.688 20 0 EHADRM CC(C)C(=O)Nc1cccc(N[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000736346924 978322489 /nfs/dbraw/zinc/32/24/89/978322489.db2.gz CURLQBDKEMLWAO-INIZCTEOSA-N -1 0 330.359 3.658 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1csc([C@H]2CCCO2)n1 ZINC000274661350 1014488560 /nfs/dbraw/zinc/48/85/60/1014488560.db2.gz GLDQHCLIJIQBFM-LLVKDONJSA-N -1 0 342.779 3.745 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001592540209 978422278 /nfs/dbraw/zinc/42/22/78/978422278.db2.gz HVYZBTXWABGTIT-CYBMUJFWSA-N -1 0 341.382 3.682 20 0 EHADRM Cc1nc(CCCC(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)cs1 ZINC000588592294 1032093074 /nfs/dbraw/zinc/09/30/74/1032093074.db2.gz ANVIXUGFMZZHJE-YFHOEESVSA-N -1 0 330.409 3.511 20 0 EHADRM Cc1ccc(OC(=O)COc2ccc(Cl)c(C)c2)c(C(=O)[O-])c1 ZINC000738640799 978579510 /nfs/dbraw/zinc/57/95/10/978579510.db2.gz NCSHFVGAKXTYGI-UHFFFAOYSA-N -1 0 334.755 3.639 20 0 EHADRM C[C@H](CNC(=O)CC1(CC(=O)[O-])CCCC1)c1ccc(F)cc1F ZINC001592646217 978625094 /nfs/dbraw/zinc/62/50/94/978625094.db2.gz UACFUSBMHKJKTR-GFCCVEGCSA-N -1 0 339.382 3.610 20 0 EHADRM O=C([O-])[C@H](Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc(F)cc1 ZINC000739511201 978643485 /nfs/dbraw/zinc/64/34/85/978643485.db2.gz DDLVKHZUSXGZCZ-QZTJIDSGSA-N -1 0 345.370 3.621 20 0 EHADRM O=C([O-])c1cn(CC(=O)Nc2ccc3ncccc3c2)c2ccccc12 ZINC000746330150 978681325 /nfs/dbraw/zinc/68/13/25/978681325.db2.gz DSVYYDXRTGJLIT-UHFFFAOYSA-N -1 0 345.358 3.526 20 0 EHADRM Cc1cc(C(=O)CCC(=O)Nc2ccc(F)c(C(=O)[O-])c2)c(C)s1 ZINC000746356482 978683136 /nfs/dbraw/zinc/68/31/36/978683136.db2.gz OKMPWNXLBRMSMM-UHFFFAOYSA-N -1 0 349.383 3.804 20 0 EHADRM CCC[C@](C)(NC(=O)c1oc2ccccc2c1CSC)C(=O)[O-] ZINC000746372033 978683938 /nfs/dbraw/zinc/68/39/38/978683938.db2.gz GHQBOHHRUVINMS-KRWDZBQOSA-N -1 0 335.425 3.669 20 0 EHADRM CC[C@H](C)CN(C)c1ccc(F)cc1CNCc1ccc(C(=O)[O-])o1 ZINC000756285729 978697203 /nfs/dbraw/zinc/69/72/03/978697203.db2.gz NMBYWNMKPPWXMO-ZDUSSCGKSA-N -1 0 348.418 3.889 20 0 EHADRM COc1cccc2cc(CN[C@H](C(=O)[O-])c3cc(F)ccc3F)oc21 ZINC000756358726 978699039 /nfs/dbraw/zinc/69/90/39/978699039.db2.gz CLCMGQUECBNHSM-INIZCTEOSA-N -1 0 347.317 3.635 20 0 EHADRM CCCCC[C@@H](C)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000766972147 978730645 /nfs/dbraw/zinc/73/06/45/978730645.db2.gz PHGCEPPYAQVNPT-RDTXWAMCSA-N -1 0 344.455 3.886 20 0 EHADRM CC/C(=C\C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccc(C)cc1 ZINC000777394669 978780515 /nfs/dbraw/zinc/78/05/15/978780515.db2.gz GBBVDBYOSGKKQR-YKBBIGDRSA-N -1 0 329.440 3.892 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCN2C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000779428884 978783213 /nfs/dbraw/zinc/78/32/13/978783213.db2.gz JFSRQBNLXSZBML-GJZGRUSLSA-N -1 0 329.440 3.764 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000786621364 978795108 /nfs/dbraw/zinc/79/51/08/978795108.db2.gz SMCLXOZHBDYGCI-QBFSEMIESA-N -1 0 327.355 3.885 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)Nc2ccccc2N2CCCC2)c1 ZINC000811814395 978857743 /nfs/dbraw/zinc/85/77/43/978857743.db2.gz XOUYRFLOADNRLU-UHFFFAOYSA-N -1 0 344.798 3.891 20 0 EHADRM Cc1ccccc1[C@H]1CCN(C(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000811818016 978861836 /nfs/dbraw/zinc/86/18/36/978861836.db2.gz DQVGANDAUNLXDY-AWEZNQCLSA-N -1 0 343.810 3.976 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)Nc2cccc3cccnc32)c1 ZINC000811821933 978866612 /nfs/dbraw/zinc/86/66/12/978866612.db2.gz WFZXPRDXPXDRCU-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM Cc1nc(CCCC(=O)Nc2cc(F)cc(Cl)c2[O-])cs1 ZINC000274680205 1014535863 /nfs/dbraw/zinc/53/58/63/1014535863.db2.gz JNEHUUYWJXMDSA-UHFFFAOYSA-N -1 0 328.796 3.911 20 0 EHADRM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000828149940 978971359 /nfs/dbraw/zinc/97/13/59/978971359.db2.gz OIDWSRQETHLVSN-RHSMWYFYSA-N -1 0 338.407 3.870 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)s1 ZINC000471117327 1014541146 /nfs/dbraw/zinc/54/11/46/1014541146.db2.gz UQKXRULDSJILMV-TZMCWYRMSA-N -1 0 348.447 3.509 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(C(=O)[O-])c2ccccc12)c1ccccn1 ZINC001592674382 979084551 /nfs/dbraw/zinc/08/45/51/979084551.db2.gz HZDPBLMTGPDBDL-CYBMUJFWSA-N -1 0 349.390 3.858 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1)c1ccccc1 ZINC001592682692 979105903 /nfs/dbraw/zinc/10/59/03/979105903.db2.gz PNWAVYFBFBXDDC-GFCCVEGCSA-N -1 0 337.379 3.791 20 0 EHADRM CC[C@@H](C)n1nccc1C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001595027962 979146549 /nfs/dbraw/zinc/14/65/49/979146549.db2.gz AOBZSDPFDDVRTD-GFCCVEGCSA-N -1 0 337.379 3.958 20 0 EHADRM CC[C@H](CC(=O)NC(C)(C)c1nocc1C(=O)[O-])c1ccc(C)cc1 ZINC001595033682 979178035 /nfs/dbraw/zinc/17/80/35/979178035.db2.gz PRXFGKVLGWKCDX-CYBMUJFWSA-N -1 0 344.411 3.616 20 0 EHADRM CC(C)(C)Sc1cc(C(=O)N(CC(=O)[O-])c2ccccc2)ccn1 ZINC000833446477 979186826 /nfs/dbraw/zinc/18/68/26/979186826.db2.gz DETFTWKHIUXSIU-UHFFFAOYSA-N -1 0 344.436 3.704 20 0 EHADRM CC[C@H](CC(F)(F)F)C(=O)N[C@@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC001595038712 979208399 /nfs/dbraw/zinc/20/83/99/979208399.db2.gz IFNCTCCJGIIDFE-DGCLKSJQSA-N -1 0 331.334 3.524 20 0 EHADRM CCc1ccc(C(=O)CCC(=O)OC2CCC(CC(=O)[O-])CC2)cc1 ZINC000833669986 979219669 /nfs/dbraw/zinc/21/96/69/979219669.db2.gz OFBZIEOZDSMVHI-UHFFFAOYSA-N -1 0 346.423 3.789 20 0 EHADRM Cc1ccc(-c2nc(C(=O)OC3CCC(CC(=O)[O-])CC3)cs2)o1 ZINC000833746730 979235781 /nfs/dbraw/zinc/23/57/81/979235781.db2.gz PCGQGMDIRLMNGF-UHFFFAOYSA-N -1 0 349.408 3.902 20 0 EHADRM CC(C)C(=O)c1ccc([C@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000836717929 979248421 /nfs/dbraw/zinc/24/84/21/979248421.db2.gz PPTDIISYOSXLLD-ZDUSSCGKSA-N -1 0 339.391 3.966 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1nc(C2CCC2)cs1 ZINC001595050753 979280638 /nfs/dbraw/zinc/28/06/38/979280638.db2.gz YBBNEEUERPVVBI-UHFFFAOYSA-N -1 0 325.434 3.566 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(-c2ccncc2)c(F)c1 ZINC001595053680 979288809 /nfs/dbraw/zinc/28/88/09/979288809.db2.gz PDNZOXDQPMSIKX-UHFFFAOYSA-N -1 0 344.386 3.651 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001595053775 979289869 /nfs/dbraw/zinc/28/98/69/979289869.db2.gz YEPXYSBLFLIOIN-NXEZZACHSA-N -1 0 329.849 3.655 20 0 EHADRM CCC(CC)(CC)C(=O)N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC001595057970 979305509 /nfs/dbraw/zinc/30/55/09/979305509.db2.gz XANDDGXTNMAOLU-UHFFFAOYSA-N -1 0 338.473 3.764 20 0 EHADRM CCC(CC)(CNC(=O)c1cc(Cl)c(Cl)cc1OC)C(=O)[O-] ZINC001595073203 979345826 /nfs/dbraw/zinc/34/58/26/979345826.db2.gz KZELZPYSWXVKEA-UHFFFAOYSA-N -1 0 348.226 3.623 20 0 EHADRM CCC(CC)(NC(=O)COc1ccc(Cl)c2ccccc12)C(=O)[O-] ZINC001595093488 979392375 /nfs/dbraw/zinc/39/23/75/979392375.db2.gz YHDGSBYYOFBWEU-UHFFFAOYSA-N -1 0 349.814 3.632 20 0 EHADRM C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)CCCC(=O)[O-] ZINC000844254314 979395688 /nfs/dbraw/zinc/39/56/88/979395688.db2.gz PZJNDSACTLEXLX-VIFPVBQESA-N -1 0 330.211 3.694 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)/C=C/C2CCCCCC2)nc1C1CC1 ZINC000846122677 979408804 /nfs/dbraw/zinc/40/88/04/979408804.db2.gz LCWYPPRTQBSSCB-KPKJPENVSA-N -1 0 342.439 3.800 20 0 EHADRM CCC(CC)[C@@H](C)C(=O)Nc1cc2c(cc1C(=O)[O-])OCCCO2 ZINC001595105331 979422528 /nfs/dbraw/zinc/42/25/28/979422528.db2.gz KENALFHHICEDHI-LLVKDONJSA-N -1 0 335.400 3.557 20 0 EHADRM CCC(CC)[C@H](CCNC(=O)Nc1ccc(C(=O)[O-])c(C)c1)OC ZINC001595106189 979429433 /nfs/dbraw/zinc/42/94/33/979429433.db2.gz HGOSEDBGRGAHFK-INIZCTEOSA-N -1 0 336.432 3.656 20 0 EHADRM Cc1ccc(C[C@H]2CCCN2C(=O)c2ccc(/C=C\C(=O)[O-])o2)cc1 ZINC000851597237 979513050 /nfs/dbraw/zinc/51/30/50/979513050.db2.gz WFHSDSHUJZHIDZ-HGPCXVNDSA-N -1 0 339.391 3.533 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000851597974 979515087 /nfs/dbraw/zinc/51/50/87/979515087.db2.gz GZABSPWMRQHNBE-WFASDCNBSA-N -1 0 343.354 3.665 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001595126237 979515972 /nfs/dbraw/zinc/51/59/72/979515972.db2.gz SSEBYKKFLAEXDF-GOSISDBHSA-N -1 0 331.456 3.927 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001595126284 979516250 /nfs/dbraw/zinc/51/62/50/979516250.db2.gz NAVGHUSUVVLNFH-MRXNPFEDSA-N -1 0 348.374 3.674 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1CCCC2(CC2)C1)c1cccc(Cl)c1 ZINC000851599729 979517807 /nfs/dbraw/zinc/51/78/07/979517807.db2.gz BGNXVPLZGHZUMP-ZFWWWQNUSA-N -1 0 335.831 3.942 20 0 EHADRM CN(C(=O)c1ccc(/C=C\C(=O)[O-])o1)[C@@H]1CCCc2ccccc21 ZINC000851602510 979523766 /nfs/dbraw/zinc/52/37/66/979523766.db2.gz VVXMSEQYJLMOIO-UILAEWCASA-N -1 0 325.364 3.527 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001592830424 979555159 /nfs/dbraw/zinc/55/51/59/979555159.db2.gz SBXVYVYASQWYDC-AWEZNQCLSA-N -1 0 335.469 3.566 20 0 EHADRM CC[C@](CNC(=O)[C@H](C)[C@H](C)C(C)(C)C)(C(=O)[O-])c1ccccc1 ZINC001595135612 979578217 /nfs/dbraw/zinc/57/82/17/979578217.db2.gz XMONPJIMXYEAMJ-QEEYODRMSA-N -1 0 333.472 3.854 20 0 EHADRM CC(C)c1ccc(C[C@@H](C)NC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1 ZINC001592834865 979581051 /nfs/dbraw/zinc/58/10/51/979581051.db2.gz YWMRPTXGPJJVSO-TVRCVXMWSA-N -1 0 343.467 3.892 20 0 EHADRM O=C([O-])[C@@H]1CN(Cc2cc(Cl)nc(Cl)c2)Cc2ccccc21 ZINC000852736193 979583192 /nfs/dbraw/zinc/58/31/92/979583192.db2.gz LMBSICSXOHFDIA-CYBMUJFWSA-N -1 0 337.206 3.572 20 0 EHADRM CC[C@H](CNC(=O)CC1(CC(=O)[O-])CCCC1)Oc1ccccc1C ZINC001595140595 979601930 /nfs/dbraw/zinc/60/19/30/979601930.db2.gz PTZKXIGDCOTWPT-MRXNPFEDSA-N -1 0 347.455 3.694 20 0 EHADRM O=C([O-])CN(C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)C1CCCC1 ZINC000856961479 979614791 /nfs/dbraw/zinc/61/47/91/979614791.db2.gz HYHYNZDJLHZWCX-CQSZACIVSA-N -1 0 347.308 3.572 20 0 EHADRM CC/C(=C\C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1)c1ccc(C)cc1 ZINC000856994204 979621614 /nfs/dbraw/zinc/62/16/14/979621614.db2.gz TUEQRMIJZGUBTM-AUWXEVLLSA-N -1 0 344.436 3.821 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)[C@@H]2C[C@@]2(F)c2ccccc2)cc1)C(=O)[O-] ZINC001592857736 979665911 /nfs/dbraw/zinc/66/59/11/979665911.db2.gz LIMBYPSNSCWSBU-ASUYLVSUSA-N -1 0 341.382 3.773 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)Cc2ccc3cccnc3c2)cc1)C(=O)[O-] ZINC001592858482 979672857 /nfs/dbraw/zinc/67/28/57/979672857.db2.gz HVYNQEFINQMMKT-AWEZNQCLSA-N -1 0 348.402 3.679 20 0 EHADRM CC[C@](CNC(=O)c1cc(C)cc(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC001595159436 979674263 /nfs/dbraw/zinc/67/42/63/979674263.db2.gz WFSXADYEYZDBHI-LJQANCHMSA-N -1 0 345.826 3.811 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N(C)CC2CCCCC2)cc1)C(=O)[O-] ZINC001592859353 979681610 /nfs/dbraw/zinc/68/16/10/979681610.db2.gz RGKIPYIAABKMGN-CQSZACIVSA-N -1 0 332.444 3.994 20 0 EHADRM CC[C@@](CNC(=O)c1cccc(C(C)C)c1)(C(=O)[O-])c1ccccc1 ZINC001595164553 979707535 /nfs/dbraw/zinc/70/75/35/979707535.db2.gz ZMNJVNFFYKIQIH-NRFANRHFSA-N -1 0 339.435 3.972 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CC(C)(C)c1ccc(F)cc1 ZINC000864122411 979719543 /nfs/dbraw/zinc/71/95/43/979719543.db2.gz RVVZFPKAFKGWJT-UHFFFAOYSA-N -1 0 343.398 3.850 20 0 EHADRM C[C@H](Cc1ccc(NC(=S)N[C@@H]2CCCC[C@H]2C)cc1)C(=O)[O-] ZINC001592878140 979747843 /nfs/dbraw/zinc/74/78/43/979747843.db2.gz VANOSAKUPBBCIR-XJKCOSOUSA-N -1 0 334.485 3.815 20 0 EHADRM CCOc1ccccc1[C@H](CC)NC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000864142982 979747949 /nfs/dbraw/zinc/74/79/49/979747949.db2.gz XXTFMONNKIEWNZ-YDZSZYSISA-N -1 0 343.379 3.657 20 0 EHADRM C[C@H](Cc1ccc(NCc2nc(-c3ccccc3)no2)cc1)C(=O)[O-] ZINC001592878232 979749505 /nfs/dbraw/zinc/74/95/05/979749505.db2.gz XZCULYTYVSSDGO-CYBMUJFWSA-N -1 0 337.379 3.612 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC001592883210 979757840 /nfs/dbraw/zinc/75/78/40/979757840.db2.gz NEMIXVCLDZLZET-BLLLJJGKSA-N -1 0 337.847 3.668 20 0 EHADRM CC[C@](CNc1nc2ccc(F)cc2o1)(C(=O)[O-])c1ccccc1 ZINC001595175690 979760883 /nfs/dbraw/zinc/76/08/83/979760883.db2.gz DKDKDWHPLRFVIX-GOSISDBHSA-N -1 0 328.343 3.811 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)N(C)c1ccccc1C(=O)[O-] ZINC001592883617 979761667 /nfs/dbraw/zinc/76/16/67/979761667.db2.gz USINEGHDXORXOJ-LBPRGKRZSA-N -1 0 331.799 3.880 20 0 EHADRM C[C@H](Cc1ccccc1)n1cccc1C(=O)OC1CC(CC(=O)[O-])C1 ZINC001592892393 979791945 /nfs/dbraw/zinc/79/19/45/979791945.db2.gz WWRHDTHYIDVELG-ODIFPOPNSA-N -1 0 341.407 3.702 20 0 EHADRM C[C@@H](Cc1cccs1)NC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001592902559 979828271 /nfs/dbraw/zinc/82/82/71/979828271.db2.gz KYUCQENKSPTJKZ-JTQLQIEISA-N -1 0 343.408 3.680 20 0 EHADRM CCCc1ccc(CCCC(=O)NCc2cc(C(=O)[O-])co2)cc1 ZINC000864192281 979849297 /nfs/dbraw/zinc/84/92/97/979849297.db2.gz UQPKVXUXZAWVDV-UHFFFAOYSA-N -1 0 329.396 3.569 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@](C)(CC(=O)[O-])C1CC1 ZINC000864197630 979865459 /nfs/dbraw/zinc/86/54/59/979865459.db2.gz HYCIQGLUGTTWFL-QFYYESIMSA-N -1 0 341.860 3.580 20 0 EHADRM C/C(Cl)=C/C(=O)N(Cc1ccoc1C(=O)[O-])[C@@H](C)c1ccccn1 ZINC001592913166 979886107 /nfs/dbraw/zinc/88/61/07/979886107.db2.gz XXZZHXZTQHXPEL-MMRAYRKESA-N -1 0 348.786 3.605 20 0 EHADRM C[C@@H](CC(=O)N[C@@](C)(CC(=O)[O-])C1CC1)Cc1ccc(Cl)cc1 ZINC000864204287 979886604 /nfs/dbraw/zinc/88/66/04/979886604.db2.gz VVFONMTYTFPZAN-XIKOKIGWSA-N -1 0 337.847 3.668 20 0 EHADRM COc1ccc(C2CC2)c(NC(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000864226114 979911805 /nfs/dbraw/zinc/91/18/05/979911805.db2.gz LKGMSSFFDMRNBU-UHFFFAOYSA-N -1 0 325.364 3.832 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)[C@H](c2ccccc2)C2CC2)c2ccccc21 ZINC000864227044 979914939 /nfs/dbraw/zinc/91/49/39/979914939.db2.gz UIMNJLLMEJCETQ-OXJNMPFZSA-N -1 0 335.403 3.785 20 0 EHADRM Cc1cccc([C@@H]2C[C@H]2C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)c1 ZINC000864227592 979916957 /nfs/dbraw/zinc/91/69/57/979916957.db2.gz GANYNEYNFBNFIE-RYQLBKOJSA-N -1 0 335.403 3.704 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)c1csc(C(=O)[O-])n1 ZINC001595204159 979973172 /nfs/dbraw/zinc/97/31/72/979973172.db2.gz ALCWPXHQZAMNNV-CQSZACIVSA-N -1 0 346.452 3.633 20 0 EHADRM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001595204241 979975231 /nfs/dbraw/zinc/97/52/31/979975231.db2.gz CRFIIFJHNZPHOZ-KIUWMYQTSA-N -1 0 347.798 3.782 20 0 EHADRM CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@](C)(CC)C(=O)[O-] ZINC001595205093 979979133 /nfs/dbraw/zinc/97/91/33/979979133.db2.gz PWWUYQPDNPLVOR-BLLLJJGKSA-N -1 0 345.361 3.644 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)N(CC1CC1)[C@@](C)(CC)C(=O)[O-] ZINC001595210692 979985285 /nfs/dbraw/zinc/98/52/85/979985285.db2.gz JJEHMMMYYKOBTQ-PXNSSMCTSA-N -1 0 331.456 3.747 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC001595211132 979988970 /nfs/dbraw/zinc/98/89/70/979988970.db2.gz PZUXTPCIDSNUGX-YJBOKZPZSA-N -1 0 343.398 3.645 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC001595211794 979995183 /nfs/dbraw/zinc/99/51/83/979995183.db2.gz VOHRYKTWYXCMHD-MJGOQNOKSA-N -1 0 339.435 3.814 20 0 EHADRM CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001595212326 979998977 /nfs/dbraw/zinc/99/89/77/979998977.db2.gz BQAQICRSSSWTPG-AWEZNQCLSA-N -1 0 344.386 3.975 20 0 EHADRM CC(F)(F)c1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2F)cc1 ZINC001592943333 980013035 /nfs/dbraw/zinc/01/30/35/980013035.db2.gz GJFJFSNBVVOLIF-UHFFFAOYSA-N -1 0 337.297 3.566 20 0 EHADRM CC(F)(F)c1ccccc1NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001592944070 980019189 /nfs/dbraw/zinc/01/91/89/980019189.db2.gz IFZMWNHSPTYCSY-LBPRGKRZSA-N -1 0 338.354 3.517 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)NCCC[C@H]1C=CCC1)C(=O)[O-] ZINC000872756155 980141038 /nfs/dbraw/zinc/14/10/38/980141038.db2.gz PQRGHYFEAOVBAV-KGLIPLIRSA-N -1 0 333.453 3.728 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(C(F)(F)F)ccc2Cl)nc1 ZINC001595237240 980142824 /nfs/dbraw/zinc/14/28/24/980142824.db2.gz XONWWDIUVQVLPL-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM CC[C@](NC(=O)C/C=C/Cc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC001595238130 980153433 /nfs/dbraw/zinc/15/34/33/980153433.db2.gz BXIKYIOMTKRNPY-LCCNJJIFSA-N -1 0 337.419 3.682 20 0 EHADRM CC[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C)c1cccc2ccccc21 ZINC001595246584 980184583 /nfs/dbraw/zinc/18/45/83/980184583.db2.gz BGLLXLOUWSOBMR-SIIHOXLZSA-N -1 0 340.423 3.796 20 0 EHADRM C[C@H](NC(=O)C1CCCCCCC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593007388 980226831 /nfs/dbraw/zinc/22/68/31/980226831.db2.gz TXXIWVYXPBJCBU-YJBOKZPZSA-N -1 0 331.456 3.795 20 0 EHADRM CC[C@H](NC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)[C@H]1CC1(C)C ZINC001595253104 980227153 /nfs/dbraw/zinc/22/71/53/980227153.db2.gz UGZIQXRERHEMJS-KGLIPLIRSA-N -1 0 329.400 3.812 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)c1nc2ccccc2cc1Cl ZINC001595255685 980235773 /nfs/dbraw/zinc/23/57/73/980235773.db2.gz FMSGKSBTZZUFHF-UHFFFAOYSA-N -1 0 340.766 3.516 20 0 EHADRM C[C@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1c(F)cccc1Cl ZINC001593009430 980236828 /nfs/dbraw/zinc/23/68/28/980236828.db2.gz QWVOZFLLJWJABR-ORZBULNSSA-N -1 0 337.734 3.661 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1)c1ccncc1 ZINC001595256575 980237693 /nfs/dbraw/zinc/23/76/93/980237693.db2.gz CNALIFSDHMRDRH-SUMWQHHRSA-N -1 0 341.411 3.618 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1C)c1c(C)noc1C ZINC001595256606 980237964 /nfs/dbraw/zinc/23/79/64/980237964.db2.gz DGPUZUYFHKFQTN-ZDUSSCGKSA-N -1 0 331.372 3.571 20 0 EHADRM CC[C@@](NC(=O)c1cc(C)cs1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595264959 980272537 /nfs/dbraw/zinc/27/25/37/980272537.db2.gz FZXAEMUWILUNNU-INIZCTEOSA-N -1 0 337.828 3.830 20 0 EHADRM C[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)[C@@H]1CC2CCC1CC2 ZINC001593019877 980275264 /nfs/dbraw/zinc/27/52/64/980275264.db2.gz KGJRUKBJXXUFFR-VTCYXGNWSA-N -1 0 329.440 3.648 20 0 EHADRM CC[C@](NC(=O)c1ccc(F)c2occc21)(C(=O)[O-])c1ccccc1 ZINC001595269008 980282358 /nfs/dbraw/zinc/28/23/58/980282358.db2.gz DPGPOCUUMFYGLZ-LJQANCHMSA-N -1 0 341.338 3.692 20 0 EHADRM CC[C@@H](NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-])C1CCCC1 ZINC001595272126 980290416 /nfs/dbraw/zinc/29/04/16/980290416.db2.gz HYXWREVQMUNFAN-SWLSCSKDSA-N -1 0 335.469 3.950 20 0 EHADRM FC(F)(F)CN=c1[n-]nc(SC[C@@H]2C[C@H]2c2ccccc2)s1 ZINC000460867555 1032099217 /nfs/dbraw/zinc/09/92/17/1032099217.db2.gz AOUCBENJBKUIHW-QWRGUYRKSA-N -1 0 345.415 3.830 20 0 EHADRM CC[C@@H](N[C@@H](C(=O)[O-])c1ccsc1)c1cccc(OC)c1OC ZINC001595277111 980304723 /nfs/dbraw/zinc/30/47/23/980304723.db2.gz PJXQMIQSEQHQTK-UKRRQHHQSA-N -1 0 335.425 3.632 20 0 EHADRM C[C@@H](NC(=O)CSCc1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001593035963 980310190 /nfs/dbraw/zinc/31/01/90/980310190.db2.gz BPZWGHOETBUXAY-GFCCVEGCSA-N -1 0 347.411 3.635 20 0 EHADRM CC[C@H](N[C@@H](C)c1nc(C(=O)[O-])co1)c1nc(C(F)(F)F)cs1 ZINC001595282245 980341819 /nfs/dbraw/zinc/34/18/19/980341819.db2.gz VQANKPISRAKFRI-BQBZGAKWSA-N -1 0 349.334 3.650 20 0 EHADRM CC(C)(CC(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21)CC(F)(F)F ZINC000901636513 980416308 /nfs/dbraw/zinc/41/63/08/980416308.db2.gz KLEHCIVTZXWUIS-GFCCVEGCSA-N -1 0 343.345 3.960 20 0 EHADRM CC[C@@](NCc1sc(C)nc1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595304853 980441193 /nfs/dbraw/zinc/44/11/93/980441193.db2.gz ALEAYWKZHHTNKM-INIZCTEOSA-N -1 0 338.860 3.893 20 0 EHADRM CC[C@](NCc1nc2ccccc2o1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595305672 980450039 /nfs/dbraw/zinc/45/00/39/980450039.db2.gz LTKUOOCOHUDGQI-GOSISDBHSA-N -1 0 344.798 3.961 20 0 EHADRM CC[C@@H](NCc1occc1C(=O)[O-])c1ccccc1OC(F)F ZINC001595305854 980451793 /nfs/dbraw/zinc/45/17/93/980451793.db2.gz OAXRGRVUJVZYOB-GFCCVEGCSA-N -1 0 325.311 3.820 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000901698545 980453959 /nfs/dbraw/zinc/45/39/59/980453959.db2.gz HKBLNSWWHXIZSU-LJQANCHMSA-N -1 0 344.386 3.700 20 0 EHADRM CC[C@](NCc1nc2c(o1)CCCC2)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595306029 980454263 /nfs/dbraw/zinc/45/42/63/980454263.db2.gz QRVWBJOFFDSWRD-GOSISDBHSA-N -1 0 348.830 3.687 20 0 EHADRM CC[C@@H](Nc1cccc2c1CCN2C(C)=O)c1ccc(C(=O)[O-])cc1 ZINC001595317892 980496467 /nfs/dbraw/zinc/49/64/67/980496467.db2.gz CQMBZPWPXABDDK-QGZVFWFLSA-N -1 0 338.407 3.857 20 0 EHADRM COc1ccc(C[C@@H](C)Nc2cccc([C@@H](C)C(=O)[O-])c2)cc1OC ZINC000901813862 980535227 /nfs/dbraw/zinc/53/52/27/980535227.db2.gz FFLBMBYUCDPREM-ZIAGYGMSSA-N -1 0 343.423 3.935 20 0 EHADRM CC(C)Sc1cccc(Cl)c1CN1CCOC[C@H]1CC(=O)[O-] ZINC000902001402 980678577 /nfs/dbraw/zinc/67/85/77/980678577.db2.gz GTPVRRJBBIPNBG-GFCCVEGCSA-N -1 0 343.876 3.516 20 0 EHADRM C[C@H]1CCN(Cc2ccc(Sc3ccccn3)o2)[C@@H](C(=O)[O-])C1 ZINC000902016978 980694244 /nfs/dbraw/zinc/69/42/44/980694244.db2.gz NRGCSYYMMRPNQK-GXTWGEPZSA-N -1 0 332.425 3.511 20 0 EHADRM C[C@H]1CCN(Cc2ccc(Sc3ccccn3)o2)[C@H](C(=O)[O-])C1 ZINC000902016980 980694256 /nfs/dbraw/zinc/69/42/56/980694256.db2.gz NRGCSYYMMRPNQK-JSGCOSHPSA-N -1 0 332.425 3.511 20 0 EHADRM O=C([O-])[C@@H]1CCCCCN1Cc1csc(-c2ccc(F)cc2)n1 ZINC000902039240 980709522 /nfs/dbraw/zinc/70/95/22/980709522.db2.gz PMEVHAWLFDNBFX-HNNXBMFYSA-N -1 0 334.416 3.778 20 0 EHADRM C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000902091483 980728498 /nfs/dbraw/zinc/72/84/98/980728498.db2.gz GZWXMLVZBIYGJL-WWGRRREGSA-N -1 0 342.395 3.833 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1coc(C2CCC2)n1 ZINC001595360601 980753190 /nfs/dbraw/zinc/75/31/90/980753190.db2.gz JDNNTGFSWABRGQ-INIZCTEOSA-N -1 0 342.395 3.620 20 0 EHADRM O=C([O-])/C=C/c1ccc(CNc2ccc(OC[C@@H]3CCCO3)cc2)o1 ZINC000902147094 980757419 /nfs/dbraw/zinc/75/74/19/980757419.db2.gz HOAPMEBTVJOWDM-BBVFFXRHSA-N -1 0 343.379 3.547 20 0 EHADRM C[C@H](CC(C)(C)CC(=O)[O-])Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000902147569 980757454 /nfs/dbraw/zinc/75/74/54/980757454.db2.gz JQDNAMDNVOAPJN-PBHICJAKSA-N -1 0 335.444 3.936 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@@H]1CCCC(F)(F)C1 ZINC001595361974 980767118 /nfs/dbraw/zinc/76/71/18/980767118.db2.gz SOPMPIFHUQTMRW-HUUCEWRRSA-N -1 0 339.382 3.876 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1cn2c(cccc2C)n1 ZINC001595362652 980773749 /nfs/dbraw/zinc/77/37/49/980773749.db2.gz MAOXYBLVDHQWRP-GOSISDBHSA-N -1 0 337.423 3.681 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)OC)Cc1ccsc1C(=O)[O-] ZINC001595362814 980775024 /nfs/dbraw/zinc/77/50/24/980775024.db2.gz PVNLBBJHIBLSBW-HNNXBMFYSA-N -1 0 347.436 3.573 20 0 EHADRM CC[C@H](c1nnc(NCc2cc(C(=O)[O-])co2)s1)c1ccccc1 ZINC001595363839 980787742 /nfs/dbraw/zinc/78/77/42/980787742.db2.gz JYVKOZAGOYIHNS-AWEZNQCLSA-N -1 0 343.408 3.983 20 0 EHADRM CC[C@@]1(C)Oc2ccc(NC(=O)c3ccc(/C=C\C(=O)[O-])o3)cc2O1 ZINC001595372679 980864699 /nfs/dbraw/zinc/86/46/99/980864699.db2.gz QSJVJLLZXCTQHC-KKMIYCERSA-N -1 0 343.335 3.527 20 0 EHADRM O=C([O-])/C=C\c1ccc(CNc2cccc(C3CCOCC3)c2)o1 ZINC000902396101 980869616 /nfs/dbraw/zinc/86/96/16/980869616.db2.gz HHGUZHBQBHHMOU-SREVYHEPSA-N -1 0 327.380 3.884 20 0 EHADRM CCC1(CC)CCC(NC(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC001595374351 980883187 /nfs/dbraw/zinc/88/31/87/980883187.db2.gz DNLXWLUBOBRMGA-UHFFFAOYSA-N -1 0 332.444 3.933 20 0 EHADRM CC[C@]1(CCc2ccccc2)CCCN1c1cncc(C(=O)[O-])n1 ZINC001595376630 980907213 /nfs/dbraw/zinc/90/72/13/980907213.db2.gz FQFPBPGAJDKVCT-LJQANCHMSA-N -1 0 325.412 3.557 20 0 EHADRM O=C([O-])c1cc(CN2CCc3sccc3[C@H]2c2cccs2)on1 ZINC000902528333 980922586 /nfs/dbraw/zinc/92/25/86/980922586.db2.gz CFXRHYDEAKXAKN-HNNXBMFYSA-N -1 0 346.433 3.644 20 0 EHADRM CSc1ccc(N[C@H]2CCO[C@H](C(F)(F)F)C2)cc1C(=O)[O-] ZINC000902570084 980938392 /nfs/dbraw/zinc/93/83/92/980938392.db2.gz NCEUYLOMXJPGAX-CABZTGNLSA-N -1 0 335.347 3.629 20 0 EHADRM COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccc(C)cc1Cl ZINC000471134658 1014699250 /nfs/dbraw/zinc/69/92/50/1014699250.db2.gz XNUDAQKYIPUVSZ-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM CC[C@@H]1C[C@H](CC(=O)OCc2ccc(C(=O)[O-])c(Cl)c2)CCO1 ZINC001595413458 981014427 /nfs/dbraw/zinc/01/44/27/981014427.db2.gz MSBPMOWCJXJCEV-DGCLKSJQSA-N -1 0 340.803 3.677 20 0 EHADRM CC[C@@H]1C[C@H](CC(=O)OCc2cccc(C(=O)[O-])c2Cl)CCO1 ZINC001595414200 981020374 /nfs/dbraw/zinc/02/03/74/981020374.db2.gz ZKWHJYNLKQEGMX-DGCLKSJQSA-N -1 0 340.803 3.677 20 0 EHADRM CCN(Cc1cc(C(=O)[O-])ccc1Br)CC(F)(F)F ZINC000903887857 981021725 /nfs/dbraw/zinc/02/17/25/981021725.db2.gz HESPVSQHIIZQBJ-UHFFFAOYSA-N -1 0 340.139 3.532 20 0 EHADRM CCC1CCC(NC(=O)/C(C)=C\c2ccc(C)cc2)(C(=O)[O-])CC1 ZINC001595420769 981038540 /nfs/dbraw/zinc/03/85/40/981038540.db2.gz ZENHCYZJXGJUMU-SQFISAMPSA-N -1 0 329.440 3.938 20 0 EHADRM CCC1CCC(NC(=O)C[C@@]2(C)CC2(Cl)Cl)(C(=O)[O-])CC1 ZINC001595420947 981039569 /nfs/dbraw/zinc/03/95/69/981039569.db2.gz RUDJZWJTTGIZFE-AWAWDMARSA-N -1 0 336.259 3.500 20 0 EHADRM CCC1CCC(NC(=O)c2ncc(Cl)cc2Cl)(C(=O)[O-])CC1 ZINC001595425048 981044189 /nfs/dbraw/zinc/04/41/89/981044189.db2.gz BCDCYJMZYVMYOW-UHFFFAOYSA-N -1 0 345.226 3.542 20 0 EHADRM CC[C@@H]1CCCC[C@H]1CNC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001595439041 981073809 /nfs/dbraw/zinc/07/38/09/981073809.db2.gz BNHWMYRXBNIJSG-OWCLPIDISA-N -1 0 338.492 3.735 20 0 EHADRM CC[C@H]1CCCC[C@H]1CNC(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001595441230 981078967 /nfs/dbraw/zinc/07/89/67/981078967.db2.gz OWANVAIIQKZYAV-KBPBESRZSA-N -1 0 342.439 3.741 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1C(=O)N[C@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001595441265 981079553 /nfs/dbraw/zinc/07/95/53/981079553.db2.gz PHJZVGCYZUOZTG-BGTYHANMSA-N -1 0 331.456 3.651 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1CCc2cc(F)ccc21 ZINC000905006449 981085910 /nfs/dbraw/zinc/08/59/10/981085910.db2.gz OORBMACFTSASOJ-INIZCTEOSA-N -1 0 327.355 3.755 20 0 EHADRM CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001595448500 981099104 /nfs/dbraw/zinc/09/91/04/981099104.db2.gz RNHVAONYKPCIDN-STQMWFEESA-N -1 0 339.457 3.987 20 0 EHADRM CC[C@@H]1CCCCN1C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001595451000 981105183 /nfs/dbraw/zinc/10/51/83/981105183.db2.gz GDVMTPNPJWVBHN-CYBMUJFWSA-N -1 0 334.416 3.968 20 0 EHADRM CC[C@H]1CCC[C@@H]1NC(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001595452714 981115710 /nfs/dbraw/zinc/11/57/10/981115710.db2.gz JABHVUWHWCQXLP-JSGCOSHPSA-N -1 0 334.416 3.872 20 0 EHADRM CCC1CCN(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)CC1 ZINC001595458931 981133971 /nfs/dbraw/zinc/13/39/71/981133971.db2.gz AFIPBCMKZZURNY-UHFFFAOYSA-N -1 0 345.443 3.639 20 0 EHADRM CO[C@H]1C[C@H]2C[C@H](Nc3cc(C(=O)[O-])cc4cccnc43)C[C@H]2C1 ZINC000905756920 981143606 /nfs/dbraw/zinc/14/36/06/981143606.db2.gz AKLCKHMIEVWCTH-WBIXOSHYSA-N -1 0 326.396 3.549 20 0 EHADRM CC[C@H]1CCCc2sc(NC(=O)c3ccc(C(=O)[O-])cc3)nc21 ZINC001595460390 981143845 /nfs/dbraw/zinc/14/38/45/981143845.db2.gz VNAXGZYKZAFKIH-JTQLQIEISA-N -1 0 330.409 3.924 20 0 EHADRM COc1c(NC(=O)c2cc(C3CC3)oc2C2CC2)cccc1C(=O)[O-] ZINC000906501742 981169954 /nfs/dbraw/zinc/16/99/54/981169954.db2.gz PCBGYHOLWZCKTI-UHFFFAOYSA-N -1 0 341.363 3.994 20 0 EHADRM COc1c(NC(=O)[C@@H](C)Cc2ccccc2C)cccc1C(=O)[O-] ZINC000906498862 981169985 /nfs/dbraw/zinc/16/99/85/981169985.db2.gz FPVMKQKGQUMMAF-ZDUSSCGKSA-N -1 0 327.380 3.519 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)cc1 ZINC000907557274 981188847 /nfs/dbraw/zinc/18/88/47/981188847.db2.gz LKTBZEXTVOTFFT-XLIONFOSSA-N -1 0 339.391 3.671 20 0 EHADRM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000907588103 981198129 /nfs/dbraw/zinc/19/81/29/981198129.db2.gz HXGWLUJIXBZPBF-MEWXFMAXSA-N -1 0 333.453 3.625 20 0 EHADRM CC[C@H]1CN(Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)c2ccccc2O1 ZINC001595488448 981235638 /nfs/dbraw/zinc/23/56/38/981235638.db2.gz ODIVYRMGZMKAJG-HOCLYGCPSA-N -1 0 341.407 3.716 20 0 EHADRM CC[C@@H]1CN(Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)C[C@H](C)O1 ZINC001595489887 981239758 /nfs/dbraw/zinc/23/97/58/981239758.db2.gz WLGMCEKLENGFQU-XJKSGUPXSA-N -1 0 329.396 3.644 20 0 EHADRM CC[C@@H]1c2ccccc2CN1C(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001595505172 981282031 /nfs/dbraw/zinc/28/20/31/981282031.db2.gz ZTDGFCPQRGTZCF-MRXNPFEDSA-N -1 0 340.379 3.892 20 0 EHADRM CC[C@H](C(=O)NCCCCC1(C(=O)[O-])CCC1)c1ccc(OC)cc1 ZINC000908337845 981302923 /nfs/dbraw/zinc/30/29/23/981302923.db2.gz CWHQUXXJVBTSQW-KRWDZBQOSA-N -1 0 347.455 3.730 20 0 EHADRM CC(C)(CC(=O)NCCCCC1(C(=O)[O-])CCC1)c1ccccc1 ZINC000908343037 981305763 /nfs/dbraw/zinc/30/57/63/981305763.db2.gz UTWGFGRUAAOFOV-UHFFFAOYSA-N -1 0 331.456 3.896 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)Cc2cccc3ccccc32)CCC1 ZINC000908355080 981307778 /nfs/dbraw/zinc/30/77/78/981307778.db2.gz RVPZQNNKOWPLBX-UHFFFAOYSA-N -1 0 339.435 3.924 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)C2(Sc3ccccc3)CCCC2)C1 ZINC000908372721 981309604 /nfs/dbraw/zinc/30/96/04/981309604.db2.gz KYMSHBXSSKHDDG-CABCVRRESA-N -1 0 347.480 3.851 20 0 EHADRM CC/C(C)=C\C(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000908420764 981317262 /nfs/dbraw/zinc/31/72/62/981317262.db2.gz XWNLKKXLQRIGJL-CHOZFAJLSA-N -1 0 329.318 3.694 20 0 EHADRM CC/C=C\[C@H](OC(=O)c1csc(-c2ccccc2C)n1)C(=O)[O-] ZINC001595515212 981322024 /nfs/dbraw/zinc/32/20/24/981322024.db2.gz QFAHBYDURUOJPG-DFGFTWQDSA-N -1 0 331.393 3.695 20 0 EHADRM CCSc1ccc(CC(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000908641455 981331591 /nfs/dbraw/zinc/33/15/91/981331591.db2.gz GZLAKEDDBWJAOC-CQSZACIVSA-N -1 0 349.477 3.735 20 0 EHADRM C[C@H](Cc1ccccc1Cl)NC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000908739303 981350917 /nfs/dbraw/zinc/35/09/17/981350917.db2.gz WWKDXUALXUWRGA-XYJCDUHRSA-N -1 0 349.858 3.812 20 0 EHADRM CC(C)Sc1ccc([C@H](C)NC(=O)c2ccoc2CC(=O)[O-])cc1 ZINC000908781163 981361351 /nfs/dbraw/zinc/36/13/51/981361351.db2.gz MRQYAUCBYXJJDN-LBPRGKRZSA-N -1 0 347.436 3.898 20 0 EHADRM CCCC(=O)Nc1cccc(N[C@H](C)c2cncc(C(=O)[O-])c2)c1C ZINC001595531864 981369007 /nfs/dbraw/zinc/36/90/07/981369007.db2.gz USRAOTDBCWMBGA-CYBMUJFWSA-N -1 0 341.411 4.000 20 0 EHADRM CCC[C@H](C(=O)OCc1cc(C(=O)[O-])no1)c1cccc(Cl)c1 ZINC001595538940 981395226 /nfs/dbraw/zinc/39/52/26/981395226.db2.gz SVVYUEJNDLCRPY-ZDUSSCGKSA-N -1 0 337.759 3.653 20 0 EHADRM Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000909111786 981419938 /nfs/dbraw/zinc/41/99/38/981419938.db2.gz WUFREDNVVWDESY-MRVPVSSYSA-N -1 0 335.791 3.510 20 0 EHADRM CCC[C@@](C)(NC(=O)c1nc(-c2ccccc2)oc1C1CC1)C(=O)[O-] ZINC001595553206 981427874 /nfs/dbraw/zinc/42/78/74/981427874.db2.gz CQZVTWWHOHIMHV-LJQANCHMSA-N -1 0 342.395 3.592 20 0 EHADRM Cc1cc(NC(=O)c2ccn(C3CCCCC3)n2)ccc1C(=O)[O-] ZINC000909221877 981434881 /nfs/dbraw/zinc/43/48/81/981434881.db2.gz AGYMVANXFFSCQQ-UHFFFAOYSA-N -1 0 327.384 3.647 20 0 EHADRM CSC1(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)CCC1 ZINC000909224013 981435466 /nfs/dbraw/zinc/43/54/66/981435466.db2.gz BBRSCMHWHSIRRM-UHFFFAOYSA-N -1 0 339.482 3.619 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C)[C@@H]2OCCc3sccc32)ccc1C(=O)[O-] ZINC000909222232 981435560 /nfs/dbraw/zinc/43/55/60/981435560.db2.gz DXYYSHRKINHXFA-ZBEGNZNMSA-N -1 0 345.420 3.643 20 0 EHADRM CCC/C(C)=C/C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001595564919 981453932 /nfs/dbraw/zinc/45/39/32/981453932.db2.gz CKRVHUCPOGFMOA-JXMROGBWSA-N -1 0 327.327 3.714 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccn2C(C)C)cc1 ZINC000909327336 981469395 /nfs/dbraw/zinc/46/93/95/981469395.db2.gz CHPNUWHNUFKCAG-OAHLLOKOSA-N -1 0 346.452 3.737 20 0 EHADRM CCC[C@@H](C)CC(=O)N[C@@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001595571500 981479421 /nfs/dbraw/zinc/47/94/21/981479421.db2.gz RVAJUWLPHGLBLC-PXAZEXFGSA-N -1 0 325.836 3.668 20 0 EHADRM CCC[C@@H](C)CC(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC001595571465 981479497 /nfs/dbraw/zinc/47/94/97/981479497.db2.gz RCQJOCRZQGHVFT-SECBINFHSA-N -1 0 328.206 3.912 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@@H]3CCc4c3cccc4Cl)(CC1)CC2 ZINC000909402633 981484575 /nfs/dbraw/zinc/48/45/75/981484575.db2.gz ZSNGGQUDCNSIPQ-VNCLNFNDSA-N -1 0 347.842 3.869 20 0 EHADRM CCC[C@@H](C)C(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001595573072 981486600 /nfs/dbraw/zinc/48/66/00/981486600.db2.gz QRAJESKWNYYZMD-SSDOTTSWSA-N -1 0 332.169 3.661 20 0 EHADRM Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2ccoc2CC(=O)[O-])c1 ZINC000909412744 981487676 /nfs/dbraw/zinc/48/76/76/981487676.db2.gz KGSSVYQSEJPDFM-INIZCTEOSA-N -1 0 327.380 3.501 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)CC[C@H]2CCc3ccccc32)C1 ZINC000909486330 981506405 /nfs/dbraw/zinc/50/64/05/981506405.db2.gz FJYUJIPTACFIQW-IAGOWNOFSA-N -1 0 343.467 3.846 20 0 EHADRM CCC[C@@H](C)c1cc(NC(=O)Nc2cccc(C(=O)[O-])c2OC)n[nH]1 ZINC001595579512 981508247 /nfs/dbraw/zinc/50/82/47/981508247.db2.gz QLJKEJTWKXDXNK-SNVBAGLBSA-N -1 0 346.387 3.664 20 0 EHADRM CC[N@H+](C)[C@H](C(=O)Nc1cc(C(=O)[O-])c(C)cc1C)c1ccccc1 ZINC000909512778 981519613 /nfs/dbraw/zinc/51/96/13/981519613.db2.gz JJEXGIDNSHDHPY-SFHVURJKSA-N -1 0 340.423 3.633 20 0 EHADRM CCC[C@@H](CC)NC(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001595587390 981541310 /nfs/dbraw/zinc/54/13/10/981541310.db2.gz KPTDKUDWKRXRFB-CHWSQXEVSA-N -1 0 346.349 3.866 20 0 EHADRM CC[C@H](C)Oc1cc(C[NH2+][C@H](C(=O)[O-])c2ccccc2)ccc1OC ZINC000683174696 1014742353 /nfs/dbraw/zinc/74/23/53/1014742353.db2.gz QCPCSNOJSPHEJU-LIRRHRJNSA-N -1 0 343.423 3.788 20 0 EHADRM CCC[C@@H](CCc1ccccc1)NC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001595590688 981546247 /nfs/dbraw/zinc/54/62/47/981546247.db2.gz CKNJSFDSXGAXFJ-NXHRZFHOSA-N -1 0 346.471 3.540 20 0 EHADRM O=C([O-])C12CCC(C(=O)NCC3CC(c4ccccc4)C3)(CC1)CC2 ZINC000909708625 981578529 /nfs/dbraw/zinc/57/85/29/981578529.db2.gz CWWCHJRYLRRCFC-UHFFFAOYSA-N -1 0 341.451 3.722 20 0 EHADRM CC(C)(C)[C@@H]1CN(C(=O)c2csc(C(=O)[O-])n2)c2ccccc21 ZINC000909730491 981584113 /nfs/dbraw/zinc/58/41/13/981584113.db2.gz OQRKWJQZEVYSMI-LLVKDONJSA-N -1 0 330.409 3.631 20 0 EHADRM Cc1coc(C)c1C(=O)N[C@@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC000909789182 981626709 /nfs/dbraw/zinc/62/67/09/981626709.db2.gz HYZGJXCFFQQOLW-RDJZCZTQSA-N -1 0 341.407 3.590 20 0 EHADRM CCC[C@@]1(C)CCCN(C(=O)Nc2ccc(C(=O)[O-])cc2OC)C1 ZINC001595615502 981636751 /nfs/dbraw/zinc/63/67/51/981636751.db2.gz BVXAEPFJLNRNLL-SFHVURJKSA-N -1 0 334.416 3.828 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(F)F)cc1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000909817514 981639151 /nfs/dbraw/zinc/63/91/51/981639151.db2.gz CELGGLONUAFDSU-MLGOLLRUSA-N -1 0 347.361 3.686 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)CC2CC(OC(C)(C)C)C2)c1 ZINC000909832235 981649723 /nfs/dbraw/zinc/64/97/23/981649723.db2.gz RCVSIMPDZGXXDD-VEAWUBTESA-N -1 0 333.428 3.797 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@H]2CCCc3c(O)cccc32)cc1 ZINC000909833671 981651655 /nfs/dbraw/zinc/65/16/55/981651655.db2.gz OTDVSNPSBVJACW-SJCJKPOMSA-N -1 0 339.391 3.639 20 0 EHADRM CCC[C@H]1CCC[C@H]1C(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC001595620370 981688601 /nfs/dbraw/zinc/68/86/01/981688601.db2.gz FQSIWSQKHNUKLL-GOEBONIOSA-N -1 0 337.847 3.970 20 0 EHADRM CCC[C@@H]1C[C@H](C(=O)O[C@H](C(=O)[O-])c2ccc(Cl)cc2)CCO1 ZINC001595620364 981688621 /nfs/dbraw/zinc/68/86/21/981688621.db2.gz FMRNQFMNKZSJON-YUELXQCFSA-N -1 0 340.803 3.604 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1ccc(OCc2cccc(C)c2)cc1C ZINC001594759646 981689200 /nfs/dbraw/zinc/68/92/00/981689200.db2.gz PWLZLTGKLYBXCB-QGZVFWFLSA-N -1 0 341.407 3.932 20 0 EHADRM CCC[C@H]1C[C@@H](C(=O)Oc2cc(Cl)ccc2C(=O)[O-])CCO1 ZINC001595620424 981689265 /nfs/dbraw/zinc/68/92/65/981689265.db2.gz HRTFPKQSQJSBFU-JQWIXIFHSA-N -1 0 326.776 3.539 20 0 EHADRM CCCC1CCC(NC(=O)Nc2cc(C(=O)[O-])cnc2Cl)CC1 ZINC001595620546 981690802 /nfs/dbraw/zinc/69/08/02/981690802.db2.gz LNAMWUTWRLEPHA-UHFFFAOYSA-N -1 0 339.823 3.914 20 0 EHADRM CCC[C@@H]1CCCC[C@@H]1NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001595622461 981710384 /nfs/dbraw/zinc/71/03/84/981710384.db2.gz TZYDCMJTKLWGPL-OAFZBRQQSA-N -1 0 336.476 3.632 20 0 EHADRM Cc1oc2ccccc2c1CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000910015495 981735046 /nfs/dbraw/zinc/73/50/46/981735046.db2.gz KMUTZQINGQJDHX-UHFFFAOYSA-N -1 0 341.407 3.783 20 0 EHADRM C[C@H](CC(=O)N1CCCCC[C@H]1C(=O)[O-])c1c[nH]c2ccccc21 ZINC000910043695 981741385 /nfs/dbraw/zinc/74/13/85/981741385.db2.gz IEHVPVDRSZMPRB-DYVFJYSZSA-N -1 0 328.412 3.517 20 0 EHADRM Cc1c(NC(=O)C2(C)CCC2)cc(Br)cc1C(=O)[O-] ZINC000910086359 981755517 /nfs/dbraw/zinc/75/55/17/981755517.db2.gz DQVXKMZNICWPJF-UHFFFAOYSA-N -1 0 326.190 3.584 20 0 EHADRM C/C(=C\C(=O)Nc1cc(Br)cc(C(=O)[O-])c1C)C1CC1 ZINC000910089300 981756374 /nfs/dbraw/zinc/75/63/74/981756374.db2.gz VXWHGDMVIYJUJM-VMPITWQZSA-N -1 0 338.201 3.751 20 0 EHADRM CC[C@H](C(=O)OCc1ccsc1C(=O)[O-])c1ccc(OC)cc1 ZINC001594776061 981763661 /nfs/dbraw/zinc/76/36/61/981763661.db2.gz QHDVQFYQRGQVTE-AWEZNQCLSA-N -1 0 334.393 3.692 20 0 EHADRM C[C@@H](NC(=O)c1cccc(C2CCC2)c1)c1ncc(C(=O)[O-])s1 ZINC000910152763 981766849 /nfs/dbraw/zinc/76/68/49/981766849.db2.gz NVQZFXPSTJNAMS-SNVBAGLBSA-N -1 0 330.409 3.600 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)C[C@@H]1CCc2ccccc21 ZINC001594782612 981792283 /nfs/dbraw/zinc/79/22/83/981792283.db2.gz SCFWDILWLXCVRT-OXJNMPFZSA-N -1 0 329.440 3.598 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)COc1cccc(C(C)C)c1 ZINC001594783076 981792803 /nfs/dbraw/zinc/79/28/03/981792803.db2.gz USZOEGLVGUHCGX-FQEVSTJZSA-N -1 0 347.455 3.681 20 0 EHADRM CC(C)(CC(=O)NC[C@H](C(=O)[O-])C1CCCCC1)CC(F)(F)F ZINC000910231493 981795530 /nfs/dbraw/zinc/79/55/30/981795530.db2.gz PZYFKMPSBHUSMU-LBPRGKRZSA-N -1 0 337.382 3.752 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1cscc1C(F)F)C1CCCCC1 ZINC000910233177 981796577 /nfs/dbraw/zinc/79/65/77/981796577.db2.gz ZROPDFZVNDVBDB-JTQLQIEISA-N -1 0 331.384 3.697 20 0 EHADRM CN(C(=O)c1csc(C(=O)[O-])n1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000910250487 981824691 /nfs/dbraw/zinc/82/46/91/981824691.db2.gz LOSRBKOXIOFUII-DZGCQCFKSA-N -1 0 344.436 3.640 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001594790688 981842644 /nfs/dbraw/zinc/84/26/44/981842644.db2.gz FKFUVSDLQLNAOM-FCEWJHQRSA-N -1 0 349.858 3.935 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(C)c2c1CCC2 ZINC001594791252 981847497 /nfs/dbraw/zinc/84/74/97/981847497.db2.gz HPIXYDJMWSFQJH-FQEVSTJZSA-N -1 0 329.440 3.589 20 0 EHADRM CCCC[C@@H](CC)CNC(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001595632175 981850700 /nfs/dbraw/zinc/85/07/00/981850700.db2.gz BRRVNBIJAZCDQR-SNVBAGLBSA-N -1 0 327.812 3.771 20 0 EHADRM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N[C@H](CC2CC2)C(=O)[O-])CC1 ZINC001594797098 981884880 /nfs/dbraw/zinc/88/48/80/981884880.db2.gz UOAGZGHORHKDOM-KMFGOTIKSA-N -1 0 335.488 3.989 20 0 EHADRM CN(Cc1ccc2cc[nH]c2c1)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000910363587 981893334 /nfs/dbraw/zinc/89/33/34/981893334.db2.gz FHXMVKUEDOGFPV-UHFFFAOYSA-N -1 0 328.412 3.552 20 0 EHADRM O=C([O-])CCCCCNc1ccnc(CSc2ccccc2)n1 ZINC000910397975 981917291 /nfs/dbraw/zinc/91/72/91/981917291.db2.gz UZUQRJQXXCWGQR-UHFFFAOYSA-N -1 0 331.441 3.826 20 0 EHADRM CCCC[C@@H](NC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1)C(=O)[O-] ZINC001595636733 981922035 /nfs/dbraw/zinc/92/20/35/981922035.db2.gz NTNIRYWBYWZDLI-CQSZACIVSA-N -1 0 330.428 3.839 20 0 EHADRM CCCC[C@@H](NC(=O)c1cc(Oc2ccccc2)ccc1O)C(=O)[O-] ZINC001595636839 981923025 /nfs/dbraw/zinc/92/30/25/981923025.db2.gz UKBYDOBMDVINQU-MRXNPFEDSA-N -1 0 343.379 3.558 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N[C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)[O-] ZINC000910503566 981969058 /nfs/dbraw/zinc/96/90/58/981969058.db2.gz DFOKHASWKQQHQQ-UKTARXLSSA-N -1 0 333.453 3.560 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1nc(-c2ccccc2)oc1C1CC1 ZINC001594823885 981978832 /nfs/dbraw/zinc/97/88/32/981978832.db2.gz PDQGMYSWNKJIQT-LJQANCHMSA-N -1 0 342.395 3.592 20 0 EHADRM C[C@@H]1CCN(C(=O)CCc2ccc(C(=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000910545494 981988416 /nfs/dbraw/zinc/98/84/16/981988416.db2.gz WFMQYRGKXYFELL-QRWLVFNGSA-N -1 0 337.419 3.927 20 0 EHADRM COc1ccc2oc(C)c(C(=O)N[C@@H](CC(=O)[O-])C3CCCC3)c2c1 ZINC000910569065 981996226 /nfs/dbraw/zinc/99/62/26/981996226.db2.gz KIBFLYHVNOCFGM-HNNXBMFYSA-N -1 0 345.395 3.513 20 0 EHADRM CCCC[C@H](S[C@H](C(=O)[O-])c1ccccc1Cl)C(=O)OC ZINC001595651955 982028954 /nfs/dbraw/zinc/02/89/54/982028954.db2.gz MXKHAJSUQUHZKV-STQMWFEESA-N -1 0 330.833 3.931 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000910622911 982031239 /nfs/dbraw/zinc/03/12/39/982031239.db2.gz YUZMEULFISRYNC-CABCVRRESA-N -1 0 343.354 3.665 20 0 EHADRM Cc1nc(NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])sc1C ZINC000910624733 982033793 /nfs/dbraw/zinc/03/37/93/982033793.db2.gz DXIUJHLOOMCSAY-SNVBAGLBSA-N -1 0 336.438 3.577 20 0 EHADRM CCCC[C@@H](SCc1ccc(OCC(F)(F)F)nc1)C(=O)[O-] ZINC001595657752 982065698 /nfs/dbraw/zinc/06/56/98/982065698.db2.gz RKKACHROFYDEDH-LLVKDONJSA-N -1 0 337.363 3.899 20 0 EHADRM CCCC[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001595661107 982074235 /nfs/dbraw/zinc/07/42/35/982074235.db2.gz PJJKRHJBXKOKCU-LRDDRELGSA-N -1 0 336.407 3.682 20 0 EHADRM CCCCC1CCC(c2cc(NC(=O)[C@H](CC)C(=O)[O-])n[nH]2)CC1 ZINC001595661475 982076068 /nfs/dbraw/zinc/07/60/68/982076068.db2.gz UWNMYIAAWXROOB-RUXDESIVSA-N -1 0 335.448 3.923 20 0 EHADRM CCCCCC(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC001595663240 982083113 /nfs/dbraw/zinc/08/31/13/982083113.db2.gz RWZHPNKOWGFOLD-UHFFFAOYSA-N -1 0 328.206 3.975 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)[C@@H]2CCCC2(C)C)nc1C(=O)[O-] ZINC000910721402 982083916 /nfs/dbraw/zinc/08/39/16/982083916.db2.gz KJNCMBBJTJEDCH-RYUDHWBXSA-N -1 0 336.457 3.640 20 0 EHADRM CCCCC[C@H](C)NC(=O)CNc1cccc(C(=O)[O-])c1Cl ZINC001595666596 982105952 /nfs/dbraw/zinc/10/59/52/982105952.db2.gz OFJADKHBXDPBQE-NSHDSACASA-N -1 0 326.824 3.535 20 0 EHADRM CCCCC[C@H](NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001595669250 982113125 /nfs/dbraw/zinc/11/31/25/982113125.db2.gz GOLCFTNFIFABNH-YOEHRIQHSA-N -1 0 349.471 3.901 20 0 EHADRM CCCCC[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C)C(=O)[O-] ZINC001595670450 982118136 /nfs/dbraw/zinc/11/81/36/982118136.db2.gz PUNFQYGLKYZOGY-TZMCWYRMSA-N -1 0 341.835 3.565 20 0 EHADRM CCCCC[C@H](NC(=O)C[C@H]1CCC[C@H](C(F)(F)F)C1)C(=O)[O-] ZINC001595671856 982126748 /nfs/dbraw/zinc/12/67/48/982126748.db2.gz GXGPYBPLPUGIBE-AVGNSLFASA-N -1 0 337.382 3.895 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)NCc2ncc(C(=O)[O-])s2)cc1 ZINC000910818400 982136866 /nfs/dbraw/zinc/13/68/66/982136866.db2.gz FJULHUUEAOGLBG-ONEGZZNKSA-N -1 0 344.436 3.684 20 0 EHADRM CCCCC[C@H](NC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1)C(=O)[O-] ZINC001595673209 982139452 /nfs/dbraw/zinc/13/94/52/982139452.db2.gz WDMIOCOPIGZEEA-SQNIBIBYSA-N -1 0 331.456 3.795 20 0 EHADRM COc1ccccc1-c1ccc(C(=O)NCC(C)(C)CC(=O)[O-])s1 ZINC000910831357 982142641 /nfs/dbraw/zinc/14/26/41/982142641.db2.gz LXEBKGLKNAKWIA-UHFFFAOYSA-N -1 0 347.436 3.654 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1CCc2ccc(OC)cc21 ZINC000910958212 982176903 /nfs/dbraw/zinc/17/69/03/982176903.db2.gz FWWOEPRRRYPRFP-MRXNPFEDSA-N -1 0 339.391 3.624 20 0 EHADRM C/C=C(/C)C(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC000910957177 982177086 /nfs/dbraw/zinc/17/70/86/982177086.db2.gz LNVZSIMYCGXRIJ-BASWHVEKSA-N -1 0 326.396 3.538 20 0 EHADRM O=C([O-])c1cnc([C@H]2CCN(C(=O)C3(C4CCCCC4)CC3)C2)s1 ZINC000911046521 982211157 /nfs/dbraw/zinc/21/11/57/982211157.db2.gz PLHGHMFNDACCKH-LBPRGKRZSA-N -1 0 348.468 3.518 20 0 EHADRM Cc1cc(NC(=O)c2cn(C)nc2C2CCCCC2)cc(C(=O)[O-])c1 ZINC000911069638 982224165 /nfs/dbraw/zinc/22/41/65/982224165.db2.gz CJCNHFQMOUCTMS-UHFFFAOYSA-N -1 0 341.411 3.727 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1Oc1ccccn1 ZINC000911082295 982229609 /nfs/dbraw/zinc/22/96/09/982229609.db2.gz JUGJZAXQIQOBKB-UONOGXRCSA-N -1 0 340.379 3.703 20 0 EHADRM CCCCCC[C@@H](C)CC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001595698372 982250626 /nfs/dbraw/zinc/25/06/26/982250626.db2.gz RNCWGFAJMSMMKK-KGLIPLIRSA-N -1 0 335.448 3.529 20 0 EHADRM O=C([O-])c1nc(C(=O)N(Cc2cccc(F)c2)C2CCCC2)cs1 ZINC000911221118 982290443 /nfs/dbraw/zinc/29/04/43/982290443.db2.gz NGTKWDGXYYPOHW-UHFFFAOYSA-N -1 0 348.399 3.565 20 0 EHADRM CCCCCCOc1ccc(CC(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC001595715109 982312211 /nfs/dbraw/zinc/31/22/11/982312211.db2.gz MZXKABQGRYYHFP-FQEVSTJZSA-N -1 0 347.455 3.511 20 0 EHADRM CC[C@H](Cc1ccc(NCc2ccc3nccnc3c2)cc1)C(=O)[O-] ZINC000634575439 1014827414 /nfs/dbraw/zinc/82/74/14/1014827414.db2.gz PPLMGNHBHNTSDX-MRXNPFEDSA-N -1 0 335.407 3.895 20 0 EHADRM CC[C@@H](C)C(=O)N(Cc1ccoc1C(=O)[O-])[C@H](C)c1ccccn1 ZINC000911330262 982355319 /nfs/dbraw/zinc/35/53/19/982355319.db2.gz HALICPCKCRAHAR-CHWSQXEVSA-N -1 0 330.384 3.509 20 0 EHADRM CCCCN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[C@@H](C)c1ccccc1 ZINC001595731795 982365044 /nfs/dbraw/zinc/36/50/44/982365044.db2.gz IBRAAFBYHMXQKM-UAGQMJEPSA-N -1 0 332.444 3.813 20 0 EHADRM CCCCN([C@@H](C)CC)S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001595735387 982377620 /nfs/dbraw/zinc/37/76/20/982377620.db2.gz DIFSKDDDMSTAOA-NSHDSACASA-N -1 0 347.864 3.628 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1cccc(NC2CCCC2)c1 ZINC000911367743 982385833 /nfs/dbraw/zinc/38/58/33/982385833.db2.gz LBFIBKXARJHBKZ-UHFFFAOYSA-N -1 0 328.368 3.893 20 0 EHADRM O=C([O-])CC1(CC(=O)N2CC[C@H](c3cccc(F)c3)C2)CCCC1 ZINC000911371897 982389644 /nfs/dbraw/zinc/38/96/44/982389644.db2.gz TYYOBIPLYIGNDA-HNNXBMFYSA-N -1 0 333.403 3.567 20 0 EHADRM CC[C@@H](c1ccncc1)N(CC)C(=O)CCc1ccccc1C(=O)[O-] ZINC000911416687 982423149 /nfs/dbraw/zinc/42/31/49/982423149.db2.gz RAGJSNPRVGKCIB-SFHVURJKSA-N -1 0 340.423 3.712 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)[O-] ZINC001594912777 982425603 /nfs/dbraw/zinc/42/56/03/982425603.db2.gz UJLFONLVHKQRPE-HQJQHLMTSA-N -1 0 337.725 3.588 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000911565025 982506063 /nfs/dbraw/zinc/50/60/63/982506063.db2.gz SPTCTZZZZDJXEI-YCRPNKLZSA-N -1 0 337.419 3.662 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000911574498 982512393 /nfs/dbraw/zinc/51/23/93/982512393.db2.gz UNLIFNOZLDQMDS-MAUKXSAKSA-N -1 0 341.382 3.519 20 0 EHADRM CCCCOc1ccc(C(=O)N(CC2CC2)[C@](C)(CC)C(=O)[O-])cc1 ZINC001595774105 982527990 /nfs/dbraw/zinc/52/79/90/982527990.db2.gz HSWMTSKYEMBMQW-HXUWFJFHSA-N -1 0 347.455 3.971 20 0 EHADRM CC[C@H](C)[C@@H]1CCCCN1C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001594929257 982546406 /nfs/dbraw/zinc/54/64/06/982546406.db2.gz RGQPWLPUFHPHAJ-TUAOUCFPSA-N -1 0 339.461 3.513 20 0 EHADRM CC[C@@H](C)[C@H](Sc1nnc(NCc2cccs2)s1)C(=O)[O-] ZINC001594930373 982551382 /nfs/dbraw/zinc/55/13/82/982551382.db2.gz WFPJJJKGCGFKBA-SCZZXKLOSA-N -1 0 343.499 3.803 20 0 EHADRM CCCCOc1cccc(NC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)c1 ZINC001595781275 982562199 /nfs/dbraw/zinc/56/21/99/982562199.db2.gz XCXCPLHSBFEURZ-OAHLLOKOSA-N -1 0 336.432 3.876 20 0 EHADRM CCCCS[C@@H](C)C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001595786396 982576844 /nfs/dbraw/zinc/57/68/44/982576844.db2.gz VRWDVYJDQLOFOP-BBRMVZONSA-N -1 0 349.496 3.843 20 0 EHADRM CC[C@H](C)CC(=O)Nc1c(C)c(Br)ccc1C(=O)[O-] ZINC001594934996 982585009 /nfs/dbraw/zinc/58/50/09/982585009.db2.gz TZUFVCDMSZXFPY-QMMMGPOBSA-N -1 0 328.206 3.830 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3CCC[C@@H](CC(F)(F)F)C3)(CC1)CC2 ZINC000911655145 982585334 /nfs/dbraw/zinc/58/53/34/982585334.db2.gz KYRQMNPRCWZEPW-JQRITLKVSA-N -1 0 347.377 3.603 20 0 EHADRM CCCCSc1ccc(Cl)cc1C(=O)N[C@H]1CC[C@H]1C(=O)[O-] ZINC001595791580 982590126 /nfs/dbraw/zinc/59/01/26/982590126.db2.gz DEVDPSFZWGSUAM-YPMHNXCESA-N -1 0 341.860 3.825 20 0 EHADRM CCCCc1cc(NC(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)n[nH]1 ZINC001595791590 982590211 /nfs/dbraw/zinc/59/02/11/982590211.db2.gz DMFSIFNRJFCPRE-UHFFFAOYSA-N -1 0 341.371 3.576 20 0 EHADRM CCCCc1cc(N[C@@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])ncn1 ZINC001595791931 982591999 /nfs/dbraw/zinc/59/19/99/982591999.db2.gz MHNGWOCHAMJYAL-WMLDXEAASA-N -1 0 327.428 3.563 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N[C@@H]2CC=C(c3ccc(F)cc3)CC2)C1 ZINC000911664175 982593175 /nfs/dbraw/zinc/59/31/75/982593175.db2.gz KPFRLUNPQKKDQN-JFIYKMOQSA-N -1 0 345.414 3.769 20 0 EHADRM CCCCc1ccc(CC(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])cc1 ZINC001595796246 982601407 /nfs/dbraw/zinc/60/14/07/982601407.db2.gz LBRRGETVDVNQJK-PXNSSMCTSA-N -1 0 331.456 3.721 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)CCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC001594938010 982604236 /nfs/dbraw/zinc/60/42/36/982604236.db2.gz CQSAXNGPLFWJGE-QMTHXVAHSA-N -1 0 346.254 3.932 20 0 EHADRM CCCN(C(=O)c1ccc([C@@H](C)C(F)(F)F)cc1)[C@@H](C)C(=O)[O-] ZINC000911706015 982606549 /nfs/dbraw/zinc/60/65/49/982606549.db2.gz FSCCKQNZNWLGMU-MNOVXSKESA-N -1 0 331.334 3.678 20 0 EHADRM CSCC1(CC(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)CC1 ZINC000911734515 982619307 /nfs/dbraw/zinc/61/93/07/982619307.db2.gz UGPQEPNDNJNHJK-UHFFFAOYSA-N -1 0 337.441 3.644 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)c1ccc(OCCC(C)C)cc1)C(=O)[O-] ZINC001594945532 982633466 /nfs/dbraw/zinc/63/34/66/982633466.db2.gz BSCQGMQMIPUYHH-RHSMWYFYSA-N -1 0 335.444 3.731 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)c1ccc(-c2csc(C)n2)cc1)C(=O)[O-] ZINC001594945899 982636848 /nfs/dbraw/zinc/63/68/48/982636848.db2.gz IITLRFRVZNKILJ-NHYWBVRUSA-N -1 0 346.452 3.738 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)c1sc2ccc(F)cc2c1C)C(=O)[O-] ZINC001594949480 982648763 /nfs/dbraw/zinc/64/87/63/982648763.db2.gz BKUPBSMXSAJENU-NOZJJQNGSA-N -1 0 337.416 3.968 20 0 EHADRM CCCN(C(=O)/C=C(\C)C12CC3CC(CC(C3)C1)C2)[C@@H](C)C(=O)[O-] ZINC001595817987 982683311 /nfs/dbraw/zinc/68/33/11/982683311.db2.gz ZCHJGTFJYQMRSL-PIMREGRSSA-N -1 0 333.472 3.861 20 0 EHADRM O=C([O-])C[C@H](NC(=O)/C=C\c1ccccc1Cl)c1ccc(F)cc1 ZINC000920938681 982694561 /nfs/dbraw/zinc/69/45/61/982694561.db2.gz UNHRCVSOJORBFH-BJIFSAINSA-N -1 0 347.773 3.825 20 0 EHADRM Cc1cc(NC(=O)C[C@@H]2CCC[C@@H](C(F)(F)F)O2)ccc1C(=O)[O-] ZINC000923055561 982699685 /nfs/dbraw/zinc/69/96/85/982699685.db2.gz DDMAOWVQQFLYJM-AAEUAGOBSA-N -1 0 345.317 3.522 20 0 EHADRM CC[C@@H](C)CCCCC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001594958931 982701544 /nfs/dbraw/zinc/70/15/44/982701544.db2.gz IGQDBFNWQBJTMJ-GFCCVEGCSA-N -1 0 335.400 3.716 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)c1ccc([C@H]2CCCOC2)cc1 ZINC000923091157 982717295 /nfs/dbraw/zinc/71/72/95/982717295.db2.gz AVRUQUFOTJJLLW-AWEZNQCLSA-N -1 0 345.420 3.901 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)[C@H]1CCCc2c(O)cccc21 ZINC000923093429 982717986 /nfs/dbraw/zinc/71/79/86/982717986.db2.gz BFXFQTWPWCSIPM-LBPRGKRZSA-N -1 0 331.393 3.519 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000923093358 982717998 /nfs/dbraw/zinc/71/79/98/982717998.db2.gz LOSHMDPMWLJAHL-NXEZZACHSA-N -1 0 337.347 3.775 20 0 EHADRM CC[C@@H](C)N(C)C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001594966901 982724534 /nfs/dbraw/zinc/72/45/34/982724534.db2.gz HNBBDEWXBODMGM-CYBMUJFWSA-N -1 0 333.432 3.637 20 0 EHADRM CC(C)c1ccc(CCC(=O)NCCc2ccccc2C(=O)[O-])cc1 ZINC000923120940 982740334 /nfs/dbraw/zinc/74/03/34/982740334.db2.gz BVXGNHLGEOTLDS-UHFFFAOYSA-N -1 0 339.435 3.800 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)Cc1coc2c1ccc(Cl)c2C ZINC001594974614 982746046 /nfs/dbraw/zinc/74/60/46/982746046.db2.gz IJQQLEGKVGAQCU-SNVBAGLBSA-N -1 0 337.803 3.649 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cccn1[C@H](C)Cc1ccccc1 ZINC001594977279 982755391 /nfs/dbraw/zinc/75/53/91/982755391.db2.gz IOVCQOTWYYFCLT-JKSUJKDBSA-N -1 0 342.439 3.617 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC000923152014 982763997 /nfs/dbraw/zinc/76/39/97/982763997.db2.gz CYGFRAMZWHNJDC-MWLCHTKSSA-N -1 0 335.400 3.674 20 0 EHADRM CCCN(CC(=O)[O-])Cn1c(C)c(C)n(C2CCCCC2)c1=S ZINC001595858629 982788936 /nfs/dbraw/zinc/78/89/36/982788936.db2.gz CKQBDPXLDJPLOI-UHFFFAOYSA-N -1 0 339.505 3.895 20 0 EHADRM CCCN(CC(C)C)S(=O)(=O)c1cc2ccccc2cc1C(=O)[O-] ZINC001595862688 982798019 /nfs/dbraw/zinc/79/80/19/982798019.db2.gz FNAIXETYQOZZMG-UHFFFAOYSA-N -1 0 349.452 3.595 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N(CCc1ccccc1)C1CC1 ZINC000923213786 982844454 /nfs/dbraw/zinc/84/44/54/982844454.db2.gz MKOJVHBLMSVHSD-UHFFFAOYSA-N -1 0 337.419 3.551 20 0 EHADRM CCCN(C[C@H]1CCCCO1)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001595870528 982853983 /nfs/dbraw/zinc/85/39/83/982853983.db2.gz OHRKAKORMMVRLR-OAHLLOKOSA-N -1 0 334.416 3.506 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)Nc2c(F)cccc2C(=O)[O-])cc1 ZINC001594999391 982906190 /nfs/dbraw/zinc/90/61/90/982906190.db2.gz FLCLOWSIHFLPAX-NSHDSACASA-N -1 0 331.343 3.954 20 0 EHADRM CC[C@@H](C)Oc1cc(N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)nc(C)n1 ZINC001594999723 982910358 /nfs/dbraw/zinc/91/03/58/982910358.db2.gz OSFLVNSCOSYILX-LYRGGWFBSA-N -1 0 341.411 3.687 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)Nc2cc(C)c(C(=O)[O-])cn2)cc1 ZINC001594999817 982911203 /nfs/dbraw/zinc/91/12/03/982911203.db2.gz QBTQKJMULVZFRL-LBPRGKRZSA-N -1 0 328.368 3.518 20 0 EHADRM CC[C@@H](C)Oc1cccc(NCc2ccccc2O[C@@H](C)C(=O)[O-])n1 ZINC001595007649 982925596 /nfs/dbraw/zinc/92/55/96/982925596.db2.gz DYMVVKDECIHICV-KGLIPLIRSA-N -1 0 344.411 3.723 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)N[C@@](C)(CC(=O)[O-])C2CC2)c1 ZINC001595008282 982927926 /nfs/dbraw/zinc/92/79/26/982927926.db2.gz NHVVJPKLSDTZAL-SGTLLEGYSA-N -1 0 334.416 3.629 20 0 EHADRM Cc1oc(-c2cccs2)nc1C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001116325949 982929076 /nfs/dbraw/zinc/92/90/76/982929076.db2.gz PSOQEAOKYAYDGR-UHFFFAOYSA-N -1 0 342.376 3.970 20 0 EHADRM CC[C@@H](C)c1ccc(C(=O)NCCc2ccc(C(=O)[O-])cc2)cc1 ZINC001595009226 982932728 /nfs/dbraw/zinc/93/27/28/982932728.db2.gz GUSZMQIUWNPEKX-CQSZACIVSA-N -1 0 325.408 3.871 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)n1 ZINC001595009393 982934546 /nfs/dbraw/zinc/93/45/46/982934546.db2.gz WSKQMRKBWKEPNH-GFCCVEGCSA-N -1 0 328.368 3.518 20 0 EHADRM CC[C@H](C)c1ccc(C(=O)NCc2ccc(C(=O)[O-])c(OC)c2)cc1 ZINC001595009548 982935202 /nfs/dbraw/zinc/93/52/02/982935202.db2.gz IPXBGCUHNAXNKU-ZDUSSCGKSA-N -1 0 341.407 3.837 20 0 EHADRM CC[C@@H](C)c1ccc(COC(=O)CCCn2ccc(C(=O)[O-])n2)cc1 ZINC001595009594 982935331 /nfs/dbraw/zinc/93/53/31/982935331.db2.gz JWSJJYLEIGQAAU-CQSZACIVSA-N -1 0 344.411 3.618 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)CCc2ccc(C(=O)[O-])cc2)n1 ZINC001595009781 982937157 /nfs/dbraw/zinc/93/71/57/982937157.db2.gz YXXNVXBQMIOUOX-ZDUSSCGKSA-N -1 0 342.395 3.528 20 0 EHADRM CC[C@H](C)c1cccc(NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1 ZINC001595014244 982950975 /nfs/dbraw/zinc/95/09/75/982950975.db2.gz PTKREZYZQBATJL-AFAVFJNCSA-N -1 0 330.428 3.775 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 ZINC001118541816 982958690 /nfs/dbraw/zinc/95/86/90/982958690.db2.gz LLRKGWSAGDJSHJ-MRVPVSSYSA-N -1 0 336.413 3.531 20 0 EHADRM CCCN1CCN(Cc2ccsc2C(=O)[O-])c2cc(F)ccc21 ZINC001595912472 983008258 /nfs/dbraw/zinc/00/82/58/983008258.db2.gz RRORZTDHHBOQJA-UHFFFAOYSA-N -1 0 334.416 3.822 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C[C@@H]1C=CCC1)c1ccc(C(F)(F)F)cc1 ZINC001120312406 983026756 /nfs/dbraw/zinc/02/67/56/983026756.db2.gz ZEKDMMANIMRLSI-BXUZGUMPSA-N -1 0 341.329 3.694 20 0 EHADRM CCCOc1cc(C)ccc1CNC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001595950365 983120256 /nfs/dbraw/zinc/12/02/56/983120256.db2.gz QRBKYRXDKRULMK-UHFFFAOYSA-N -1 0 342.395 3.804 20 0 EHADRM CCCOc1cc(OC)ccc1C(=O)Nc1cccc(C(=O)[O-])c1C ZINC001595951926 983124862 /nfs/dbraw/zinc/12/48/62/983124862.db2.gz GZFAJTVVZAMMDH-UHFFFAOYSA-N -1 0 343.379 3.743 20 0 EHADRM CCCOc1ccc(CNc2cncc(C(=O)[O-])c2)cc1OCC ZINC001595960712 983154212 /nfs/dbraw/zinc/15/42/12/983154212.db2.gz MXQPBZFUQUBHQV-UHFFFAOYSA-N -1 0 330.384 3.579 20 0 EHADRM CCCOc1cccc(CC(=O)Nc2sc(C)cc2C(=O)[O-])c1 ZINC001595968351 983182124 /nfs/dbraw/zinc/18/21/24/983182124.db2.gz BLNKHSARTXNHDB-UHFFFAOYSA-N -1 0 333.409 3.725 20 0 EHADRM CCCOc1ccnc(Nc2cccc(CSCCC(=O)[O-])c2)n1 ZINC001595975959 983214641 /nfs/dbraw/zinc/21/46/41/983214641.db2.gz XZSRTTDAILNPAS-UHFFFAOYSA-N -1 0 347.440 3.717 20 0 EHADRM CCCc1c(C(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)[nH]c(C)c1C(=O)[O-] ZINC001596031193 983302958 /nfs/dbraw/zinc/30/29/58/983302958.db2.gz TUYYPJMYWHMIRU-DGKWVBSXSA-N -1 0 344.455 3.625 20 0 EHADRM CCCc1nc(C)c(C(=O)OC[C@@](C)(C(=O)[O-])c2ccccc2)s1 ZINC001596082336 983400041 /nfs/dbraw/zinc/40/00/41/983400041.db2.gz UURVDEUMRNJZRK-GOSISDBHSA-N -1 0 347.436 3.603 20 0 EHADRM CCCn1c2ccc(Cl)cc2nc1Sc1ncc(C(=O)[O-])cn1 ZINC001596111174 983438206 /nfs/dbraw/zinc/43/82/06/983438206.db2.gz ITOQKYXEHVPYKB-UHFFFAOYSA-N -1 0 348.815 3.739 20 0 EHADRM CCN(C(=O)Nc1ccc(C(=O)[O-])cc1F)c1cccc(OC)c1 ZINC001596150356 983509907 /nfs/dbraw/zinc/50/99/07/983509907.db2.gz HWTCNMFQKHFWQV-UHFFFAOYSA-N -1 0 332.331 3.591 20 0 EHADRM CCN(C(=O)c1ccc(-c2csc(C)n2)s1)C(C)(C)C(=O)[O-] ZINC001596165257 983529147 /nfs/dbraw/zinc/52/91/47/983529147.db2.gz NIFSZAPVADNHQJ-UHFFFAOYSA-N -1 0 338.454 3.505 20 0 EHADRM CCN(C(=O)c1coc2c1cccc2OC)c1ccccc1C(=O)[O-] ZINC001596172680 983537128 /nfs/dbraw/zinc/53/71/28/983537128.db2.gz BRAUFFNBZFSKLF-UHFFFAOYSA-N -1 0 339.347 3.806 20 0 EHADRM CCN(CC(=O)Nc1ccc(C(=O)[O-])cc1)[C@H](C)c1ccc(F)cc1 ZINC001596208347 983597558 /nfs/dbraw/zinc/59/75/58/983597558.db2.gz QWMPOAMNLSHZDT-CYBMUJFWSA-N -1 0 344.386 3.546 20 0 EHADRM CCN(CCSC)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001596347104 983797221 /nfs/dbraw/zinc/79/72/21/983797221.db2.gz CTQFLTHMBYWUQA-UHFFFAOYSA-N -1 0 332.425 3.755 20 0 EHADRM CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001596365028 983857512 /nfs/dbraw/zinc/85/75/12/983857512.db2.gz XKNGMSGJGKFJTL-UHFFFAOYSA-N -1 0 346.358 3.587 20 0 EHADRM CCN(Cc1ccccc1)C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001596371638 983871395 /nfs/dbraw/zinc/87/13/95/983871395.db2.gz VKPDCXFWFJHKRI-UHFFFAOYSA-N -1 0 337.379 3.920 20 0 EHADRM CCN(Cc1ccoc1C(=O)[O-])Cc1nc2c(s1)C[C@H](C)CC2 ZINC001596378684 983897523 /nfs/dbraw/zinc/89/75/23/983897523.db2.gz ZHRUCOYUMKBMMY-LLVKDONJSA-N -1 0 334.441 3.581 20 0 EHADRM CCN1CCc2ccc(NC(=O)c3cc(C(=O)[O-])ccc3Cl)cc21 ZINC001596445046 984146853 /nfs/dbraw/zinc/14/68/53/984146853.db2.gz XXZCWSIXEAVKHS-UHFFFAOYSA-N -1 0 344.798 3.673 20 0 EHADRM CCOC(=O)C(C)(C)CCC[C@@H](C)Nc1cccc(CC(=O)[O-])c1 ZINC001596512287 984284826 /nfs/dbraw/zinc/28/48/26/984284826.db2.gz LEGSVQWUUJFHAK-CQSZACIVSA-N -1 0 335.444 3.874 20 0 EHADRM CCOC(=O)[C@]12CCC[C@H]1C[C@H](Nc1ccc(CCC(=O)[O-])cc1)C2 ZINC001596562946 984441655 /nfs/dbraw/zinc/44/16/55/984441655.db2.gz FYSIJIIVAUWMBH-KNBMTAEXSA-N -1 0 345.439 3.628 20 0 EHADRM C=Cc1ccc(CCNC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)cc1 ZINC001588921444 984578597 /nfs/dbraw/zinc/57/85/97/984578597.db2.gz FVPVTWSNDLULIL-UHFFFAOYSA-N -1 0 346.333 3.670 20 0 EHADRM C/C(=C/C(=O)N[C@@H](C(=O)[O-])c1ccc(C)c(C)c1)c1ccccc1C ZINC001588938400 984621516 /nfs/dbraw/zinc/62/15/16/984621516.db2.gz AIMFQJBJCVCYKY-VMTBQTDASA-N -1 0 337.419 3.957 20 0 EHADRM C/C(=C\C(=O)NCC(C)(C)CC(=O)[O-])c1ccccc1C(F)(F)F ZINC001588938940 984625846 /nfs/dbraw/zinc/62/58/46/984625846.db2.gz NQWDJLVHWALEQK-DHZHZOJOSA-N -1 0 343.345 3.726 20 0 EHADRM C/C(=C\C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)c1ccccc1Cl ZINC001588939002 984626241 /nfs/dbraw/zinc/62/62/41/984626241.db2.gz JRGIVPDYBJXIDK-IHUUNXMQSA-N -1 0 333.815 3.599 20 0 EHADRM C/C(=C\C(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1)c1cccs1 ZINC001588939633 984630091 /nfs/dbraw/zinc/63/00/91/984630091.db2.gz QSWUGHGIAMKFQD-VOMSXAGXSA-N -1 0 329.421 3.792 20 0 EHADRM C/C(=C\C(=O)NCc1ccc(C(=O)[O-])s1)c1cccc(Cl)c1 ZINC001588942213 984634141 /nfs/dbraw/zinc/63/41/41/984634141.db2.gz BGDLBWCCOHOEAZ-JXMROGBWSA-N -1 0 335.812 3.819 20 0 EHADRM C/C(=C\C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1)c1ccccc1 ZINC001588943951 984642842 /nfs/dbraw/zinc/64/28/42/984642842.db2.gz KAPLIUTWAZEKGK-XSNHNAGMSA-N -1 0 343.354 3.720 20 0 EHADRM C[C@H](C(=O)[O-])N(C)c1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC001599886689 984644811 /nfs/dbraw/zinc/64/48/11/984644811.db2.gz WQAOUHVXSVGDDM-LLVKDONJSA-N -1 0 341.798 3.860 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)C/C=C/c1cccc(F)c1 ZINC001599886863 984646663 /nfs/dbraw/zinc/64/66/63/984646663.db2.gz AHOHHWQAXBCRDK-WCLQSUPFSA-N -1 0 341.382 3.731 20 0 EHADRM C[C@H](C(=O)Oc1ccc(C(=O)[O-])cc1Br)c1ccccc1 ZINC001599888388 984664734 /nfs/dbraw/zinc/66/47/34/984664734.db2.gz PCNZYLVJXVBPRB-JTQLQIEISA-N -1 0 349.180 3.856 20 0 EHADRM C/C(=C\C(C)(C)C)C(=O)O[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001588956505 984705642 /nfs/dbraw/zinc/70/56/42/984705642.db2.gz RILFTXPUKUFAIJ-RSKUSDAESA-N -1 0 347.411 3.556 20 0 EHADRM CCOC(=O)c1c(CS[C@H](C)CC(=O)[O-])occ1C(F)(F)F ZINC001596693724 984815754 /nfs/dbraw/zinc/81/57/54/984815754.db2.gz FALPIQCJBZLTNX-SSDOTTSWSA-N -1 0 340.319 3.572 20 0 EHADRM C[C@H](NCc1nc(C(=O)[O-])cs1)c1ccc(OC(F)(F)F)cc1 ZINC001599901886 984849297 /nfs/dbraw/zinc/84/92/97/984849297.db2.gz TVKPBIFPDKGFTN-QMMMGPOBSA-N -1 0 346.330 3.591 20 0 EHADRM C[C@H]1C[C@H](NC(C)(C)c2cc(C(=O)[O-])on2)c2ccsc2S1 ZINC001599905860 984921676 /nfs/dbraw/zinc/92/16/76/984921676.db2.gz ZMOSFHMKUBAWST-WPRPVWTQSA-N -1 0 338.454 3.885 20 0 EHADRM C[C@H]1C[C@@H](NC(C)(C)c2cc(C(=O)[O-])on2)c2ccsc2S1 ZINC001599905859 984921959 /nfs/dbraw/zinc/92/19/59/984921959.db2.gz ZMOSFHMKUBAWST-WCBMZHEXSA-N -1 0 338.454 3.885 20 0 EHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC001588997711 984931835 /nfs/dbraw/zinc/93/18/35/984931835.db2.gz ATMSGXLIUOGFNE-KMXNNKBCSA-N -1 0 347.842 3.988 20 0 EHADRM C/C(=C\c1cccc(Cl)c1)C(=O)Nc1cccc(C(=O)[O-])c1N ZINC001589000759 984941761 /nfs/dbraw/zinc/94/17/61/984941761.db2.gz DGOKUXZKITWEAD-CSKARUKUSA-N -1 0 330.771 3.662 20 0 EHADRM C/C(=C\c1cccc(Cl)c1)C(=O)NCCc1ccccc1C(=O)[O-] ZINC001589001825 984945441 /nfs/dbraw/zinc/94/54/41/984945441.db2.gz LQYKNTMUZBXUGB-ACCUITESSA-N -1 0 343.810 3.800 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)c2cccc(-c3ccoc3)c2)(C(=O)[O-])CC1 ZINC001599908142 984949829 /nfs/dbraw/zinc/94/98/29/984949829.db2.gz ZTVDLNNSUIKISS-HJGJAMNPSA-N -1 0 327.380 3.710 20 0 EHADRM C/C(=C/c1ccco1)C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001589010135 984975479 /nfs/dbraw/zinc/97/54/79/984975479.db2.gz CJXSTZNCURXDSS-BENRWUELSA-N -1 0 329.352 3.807 20 0 EHADRM CC(=O)[C@@H](C)CCCCC(=O)Oc1cc(Cl)ccc1C(=O)[O-] ZINC001589022914 985019789 /nfs/dbraw/zinc/01/97/89/985019789.db2.gz HMUJBRSGADHWPR-JTQLQIEISA-N -1 0 326.776 3.729 20 0 EHADRM CCO[C@@H](C)c1noc(CSc2cc(Cl)ccc2C(=O)[O-])n1 ZINC001596775655 985208381 /nfs/dbraw/zinc/20/83/81/985208381.db2.gz RLAYGKNWQPLLIK-QMMMGPOBSA-N -1 0 342.804 3.811 20 0 EHADRM CCO[C@H](c1noc(-c2ccc(/C=C/C(=O)[O-])o2)n1)C1CCCC1 ZINC001596790400 985265357 /nfs/dbraw/zinc/26/53/57/985265357.db2.gz MTEWMNAPGCOBON-HQPKTYMTSA-N -1 0 332.356 3.695 20 0 EHADRM C[C@]1(C(=O)Nc2cc(F)cc(C(=O)[O-])c2F)C[C@@H]1c1ccccc1 ZINC001599937647 985416286 /nfs/dbraw/zinc/41/62/86/985416286.db2.gz DLYNKEXCNZLLTJ-ACJLOTCBSA-N -1 0 331.318 3.795 20 0 EHADRM Cc1[nH]c(C(=O)[C@@H](C)N(C)Cc2ccccc2Cl)c(C)c1C(=O)[O-] ZINC001599942548 985473249 /nfs/dbraw/zinc/47/32/49/985473249.db2.gz ONYRQJBXZAECMK-GFCCVEGCSA-N -1 0 348.830 3.686 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC001594481223 985525681 /nfs/dbraw/zinc/52/56/81/985525681.db2.gz UNVKZBYPYFDUOE-MEDUHNTESA-N -1 0 328.343 3.749 20 0 EHADRM CCO[C@@H]1C[C@H](Nc2ccc(C(=O)[O-])cc2OC)C12CCCCC2 ZINC001596842806 985531879 /nfs/dbraw/zinc/53/18/79/985531879.db2.gz MXVYISVZHRXPCY-DLBZAZTESA-N -1 0 333.428 3.933 20 0 EHADRM CCOC1CC2(C[C@H]2C(=O)Nc2c(C(=O)[O-])ccc3ccccc32)C1 ZINC001596851461 985580639 /nfs/dbraw/zinc/58/06/39/985580639.db2.gz YACHTLRDGDIFAN-FOCKTWCOSA-N -1 0 339.391 3.682 20 0 EHADRM CCOC1CCC(OC(=O)c2cc(C(=O)[O-])ccc2Cl)CC1 ZINC001596853342 985593436 /nfs/dbraw/zinc/59/34/36/985593436.db2.gz TUDJESTWOCSDIC-UHFFFAOYSA-N -1 0 326.776 3.543 20 0 EHADRM Cc1[nH]c(C(=O)Nc2ccc3cnn(C(C)C)c3c2)c(C)c1C(=O)[O-] ZINC001599954356 985662037 /nfs/dbraw/zinc/66/20/37/985662037.db2.gz ASUFMSZNBHVCCQ-UHFFFAOYSA-N -1 0 340.383 3.513 20 0 EHADRM Cc1[nH]c(C(=O)Nc2ccccc2NC(C)(C)C)c(C)c1C(=O)[O-] ZINC001599954968 985673179 /nfs/dbraw/zinc/67/31/79/985673179.db2.gz WJSGXBVKVQCJLS-UHFFFAOYSA-N -1 0 329.400 3.792 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1C[C@@H](C(C)C)c2ccccc21 ZINC001599955662 985685080 /nfs/dbraw/zinc/68/50/80/985685080.db2.gz AXJWVQOEBZILPV-AWEZNQCLSA-N -1 0 326.396 3.730 20 0 EHADRM CCOC[C@@H](C(=O)[O-])N(C)Cc1c(OC(C)C)ccc2ccccc21 ZINC001596884483 985771429 /nfs/dbraw/zinc/77/14/29/985771429.db2.gz MNZCWCODDQFKOD-SFHVURJKSA-N -1 0 345.439 3.549 20 0 EHADRM CC(=O)c1cc(C(=O)NC[C@@H](C(=O)[O-])C2CCCCCC2)ccc1C ZINC001589258216 985906994 /nfs/dbraw/zinc/90/69/94/985906994.db2.gz UFZLETUIGUEEEL-GOSISDBHSA-N -1 0 345.439 3.599 20 0 EHADRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1 ZINC001599966148 985910547 /nfs/dbraw/zinc/91/05/47/985910547.db2.gz IDDQIPSBLUCVIZ-QHKAPQIGSA-N -1 0 348.830 3.893 20 0 EHADRM Cc1[nH]c2ccccc2c1SCCNC(=O)CC(C)(C)CC(=O)[O-] ZINC001599967020 985925437 /nfs/dbraw/zinc/92/54/37/985925437.db2.gz RDQODBDMZGPIEQ-UHFFFAOYSA-N -1 0 348.468 3.576 20 0 EHADRM CC(=O)c1ccc2ccccc2c1NC(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001589305241 986070071 /nfs/dbraw/zinc/07/00/71/986070071.db2.gz JHVQJLBNOQSRGK-UHFFFAOYSA-N -1 0 337.331 3.894 20 0 EHADRM CC(=O)c1cccc(CNC(=O)Nc2c(C)sc(C)c2C(=O)[O-])c1 ZINC001589310028 986085108 /nfs/dbraw/zinc/08/51/08/986085108.db2.gz XOFYIJHCLCTGHW-UHFFFAOYSA-N -1 0 346.408 3.587 20 0 EHADRM CC(=O)c1ccccc1C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001589318063 986115458 /nfs/dbraw/zinc/11/54/58/986115458.db2.gz GIFNFOFHHYQMFS-UHFFFAOYSA-N -1 0 333.343 3.993 20 0 EHADRM CC(=O)c1nn(C(C)C)c(C)c1OCc1cc(C(=O)[O-])sc1C ZINC001589322324 986129856 /nfs/dbraw/zinc/12/98/56/986129856.db2.gz BNMGUZQDUGWIAF-UHFFFAOYSA-N -1 0 336.413 3.622 20 0 EHADRM CC(=O)c1csc(C(=O)N2CCCc3ccc(C)c(C(=O)[O-])c32)c1 ZINC001589322421 986132154 /nfs/dbraw/zinc/13/21/54/986132154.db2.gz AVDIPAXQAHYGRR-UHFFFAOYSA-N -1 0 343.404 3.550 20 0 EHADRM CCON(CC1CCCCC1)C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001596963391 986158980 /nfs/dbraw/zinc/15/89/80/986158980.db2.gz HLHSLGJDEGMYDV-UHFFFAOYSA-N -1 0 337.460 3.772 20 0 EHADRM CCON(CC1CCCCC1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001596964053 986165974 /nfs/dbraw/zinc/16/59/74/986165974.db2.gz PUVVPXJOXAXIFV-UHFFFAOYSA-N -1 0 334.416 3.679 20 0 EHADRM Cc1c(F)c(C(F)(F)F)ccc1C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001599981598 986170732 /nfs/dbraw/zinc/17/07/32/986170732.db2.gz GZYMJNULGQFRQI-JOYOIKCWSA-N -1 0 347.308 3.526 20 0 EHADRM CCOCc1ccc(N[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC001596966185 986174890 /nfs/dbraw/zinc/17/48/90/986174890.db2.gz PTVWVNHMEBPGAP-QGZVFWFLSA-N -1 0 333.815 3.984 20 0 EHADRM CCOCc1ccc(NC(=O)NC[C@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001596966492 986175943 /nfs/dbraw/zinc/17/59/43/986175943.db2.gz VJYBFFOTPPZCAU-KRWDZBQOSA-N -1 0 348.443 3.626 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)[C@H](C)Cc3ccco3)ccc2n1C ZINC001599985501 986221875 /nfs/dbraw/zinc/22/18/75/986221875.db2.gz UUFJRHQPNOTFDY-LLVKDONJSA-N -1 0 341.363 3.562 20 0 EHADRM CCOc1cc(-c2ccccc2)sc1C(=O)N[C@H](C)/C=C\C(=O)[O-] ZINC001596991537 986270245 /nfs/dbraw/zinc/27/02/45/986270245.db2.gz MYWBQHOHHNBBEM-ZWLSGLHFSA-N -1 0 345.420 3.573 20 0 EHADRM C[C@H](C(=O)N(CCC(=O)[O-])Cc1ccccc1)c1ccc(F)c(F)c1 ZINC001589342669 986272201 /nfs/dbraw/zinc/27/22/01/986272201.db2.gz PWFBMISCSJGXJW-ZDUSSCGKSA-N -1 0 347.361 3.572 20 0 EHADRM CCOc1c(Cl)cccc1NC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001596992847 986279228 /nfs/dbraw/zinc/27/92/28/986279228.db2.gz QRGASDVUBFBXPS-VOTSOKGWSA-N -1 0 335.743 3.682 20 0 EHADRM C[C@H](C(=O)N1C[C@H](C(=O)[O-])c2ccccc21)c1ccc(Cl)cc1 ZINC001589346843 986291577 /nfs/dbraw/zinc/29/15/77/986291577.db2.gz WODZFADTNFSNCC-NHYWBVRUSA-N -1 0 329.783 3.659 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)c1c(F)cccc1F ZINC001597010132 986349041 /nfs/dbraw/zinc/34/90/41/986349041.db2.gz VOWGLKXTSCJTTK-SNVBAGLBSA-N -1 0 349.333 3.804 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1CCCC[C@@H]1C1CC1 ZINC001597010313 986350181 /nfs/dbraw/zinc/35/01/81/986350181.db2.gz YIPDXYGDFOGQBJ-CABCVRRESA-N -1 0 331.412 3.938 20 0 EHADRM CCOc1cc(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)ccc1C ZINC001597011283 986355185 /nfs/dbraw/zinc/35/51/85/986355185.db2.gz PMTVWYVFWSBDJU-UHFFFAOYSA-N -1 0 348.424 3.924 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1C[C@@H](C)CCC[C@@H]1C ZINC001597015118 986364182 /nfs/dbraw/zinc/36/41/82/986364182.db2.gz MBXRCKYCQWUHDC-STQMWFEESA-N -1 0 334.416 3.826 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)Cc1cccc(Cl)c1 ZINC001597015542 986369072 /nfs/dbraw/zinc/36/90/72/986369072.db2.gz DJFCZATZWRKONL-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM C[C@@H](C(=O)N1CCc2cccc(C(=O)[O-])c2C1)c1cc2ccccc2o1 ZINC001589369343 986413098 /nfs/dbraw/zinc/41/30/98/986413098.db2.gz WBICFGBAUUUDKJ-CYBMUJFWSA-N -1 0 349.386 3.819 20 0 EHADRM CCC[C@@](C)(NC(=O)CCSc1ccccc1Cl)C(=O)[O-] ZINC000036338109 1015217949 /nfs/dbraw/zinc/21/79/49/1015217949.db2.gz XZRCPAYJHLBHTK-OAHLLOKOSA-N -1 0 329.849 3.582 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(C)c(F)c1F ZINC001597024822 986430083 /nfs/dbraw/zinc/43/00/83/986430083.db2.gz DPHFSPOMNMHCEN-UHFFFAOYSA-N -1 0 335.306 3.622 20 0 EHADRM CCOc1cc(CNc2ccc(C(C)(C)C(=O)[O-])cc2)ccc1O ZINC001597038543 986486417 /nfs/dbraw/zinc/48/64/17/986486417.db2.gz UATZWRKKMDHGFP-UHFFFAOYSA-N -1 0 329.396 3.765 20 0 EHADRM CCOc1cc(CNc2ccc(C(=O)[O-])cc2)ccc1OC(=O)CC ZINC001597038685 986487593 /nfs/dbraw/zinc/48/75/93/986487593.db2.gz WRYBOFNSTAVRNY-UHFFFAOYSA-N -1 0 343.379 3.711 20 0 EHADRM CCOc1cc(N[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])ccc1OC ZINC001597043509 986500320 /nfs/dbraw/zinc/50/03/20/986500320.db2.gz XDUJSCISBRBORC-HNNXBMFYSA-N -1 0 349.814 3.855 20 0 EHADRM C[C@@H](C(=O)NC[C@H](C(=O)[O-])C1CCCCCC1)c1ccccc1F ZINC001589401961 986575881 /nfs/dbraw/zinc/57/58/81/986575881.db2.gz ZKCLOXAFBZLJHT-CJNGLKHVSA-N -1 0 335.419 3.717 20 0 EHADRM C[C@H]1Cc2cc(C(=O)Nc3cc(C(=O)[O-])ccc3Cl)ccc2O1 ZINC001594615084 986631180 /nfs/dbraw/zinc/63/11/80/986631180.db2.gz KKEZIHWPTYEXRG-VIFPVBQESA-N -1 0 331.755 3.614 20 0 EHADRM CCOc1ccc(C=O)c(OCc2c(Cl)cccc2C(=O)[O-])c1 ZINC001597082224 986633646 /nfs/dbraw/zinc/63/36/46/986633646.db2.gz AQMBNZFNVGZCHZ-UHFFFAOYSA-N -1 0 334.755 3.828 20 0 EHADRM CC(C)c1nc(NC(=O)c2cccc3c2O[C@H](C)C3)sc1C(=O)[O-] ZINC001594620730 986658887 /nfs/dbraw/zinc/65/88/87/986658887.db2.gz QOORPQGABLKKDY-SECBINFHSA-N -1 0 346.408 3.540 20 0 EHADRM C[C@H](C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21)C(C)(F)F ZINC001589422573 986665799 /nfs/dbraw/zinc/66/57/99/986665799.db2.gz KKYGCLMPKHFICQ-IAQYHMDHSA-N -1 0 335.350 3.763 20 0 EHADRM C[C@@H]1Cc2ccccc2N1C(=O)CSCc1cccc(C(=O)[O-])c1 ZINC001594622379 986666181 /nfs/dbraw/zinc/66/61/81/986666181.db2.gz DCOROEGZEWRJQX-CYBMUJFWSA-N -1 0 341.432 3.596 20 0 EHADRM CCOc1ccc(CN(C(=O)c2cccc(C(=O)[O-])c2)C(C)C)cc1 ZINC001597095227 986687736 /nfs/dbraw/zinc/68/77/36/986687736.db2.gz SZSOKICVFLPPEY-UHFFFAOYSA-N -1 0 341.407 3.834 20 0 EHADRM C[C@H]1N(C(=O)Nc2cccc3cc(C(=O)[O-])sc32)CCOC1(C)C ZINC001594626896 986695860 /nfs/dbraw/zinc/69/58/60/986695860.db2.gz PUVLTEUJPKRNKV-SNVBAGLBSA-N -1 0 348.424 3.631 20 0 EHADRM C[C@@H](C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O)c1ccsc1 ZINC001589429355 986708549 /nfs/dbraw/zinc/70/85/49/986708549.db2.gz NVNUGGSNIQROPO-SSDOTTSWSA-N -1 0 325.773 3.548 20 0 EHADRM C[C@H](C(=O)Nc1ccc(C(=O)[O-])c(O)c1)c1cc2ccccc2o1 ZINC001589431061 986723980 /nfs/dbraw/zinc/72/39/80/986723980.db2.gz CYMMDHOMHJLDRV-JTQLQIEISA-N -1 0 325.320 3.579 20 0 EHADRM CCOc1ccc(Cl)cc1CN1CCc2cc(C(=O)[O-])ccc21 ZINC001597105307 986736499 /nfs/dbraw/zinc/73/64/99/986736499.db2.gz FEJXOHLQXFIZNM-UHFFFAOYSA-N -1 0 331.799 4.000 20 0 EHADRM CCOc1ccc(NC(=O)c2ccc(SC)cc2)c(C(=O)[O-])c1F ZINC001597122211 986814623 /nfs/dbraw/zinc/81/46/23/986814623.db2.gz CNMKTSMVSJMJIA-UHFFFAOYSA-N -1 0 349.383 3.897 20 0 EHADRM CCOc1ccc(N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1Br ZINC001597123746 986826393 /nfs/dbraw/zinc/82/63/93/986826393.db2.gz QUMZQLLARJEYFS-VHSXEESVSA-N -1 0 328.206 3.513 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)/C=C/CCc1ccccc1)c1ccccc1 ZINC001589454307 986876387 /nfs/dbraw/zinc/87/63/87/986876387.db2.gz NGESZARXKYGVAY-FWWSWWNRSA-N -1 0 337.419 3.754 20 0 EHADRM CCOc1cccc(/C=C\C(=O)Nc2ccc(C(=O)[O-])cc2CC)c1 ZINC001597148506 986911865 /nfs/dbraw/zinc/91/18/65/986911865.db2.gz CHUMTCUOBDNLLV-FLIBITNWSA-N -1 0 339.391 3.998 20 0 EHADRM CCOc1cccc(CCC(=O)Nc2cc(C)cc(C(=O)[O-])c2)c1 ZINC001597153759 986939496 /nfs/dbraw/zinc/93/94/96/986939496.db2.gz NPPJJUWFKROALW-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)Cc1ccc(-c2ccccc2)cc1)C1CCC1 ZINC001589478467 986995249 /nfs/dbraw/zinc/99/52/49/986995249.db2.gz ZCSLYWSEXPQUCU-OAHLLOKOSA-N -1 0 337.419 3.750 20 0 EHADRM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000153477089 1125498062 /nfs/dbraw/zinc/49/80/62/1125498062.db2.gz CETBIIMHXQDUIY-UHFFFAOYSA-N -1 0 342.823 3.654 20 0 EHADRM C/C=C(\CC)C(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001594677283 987013435 /nfs/dbraw/zinc/01/34/35/987013435.db2.gz YYBDUBYXZMSBFE-ULYATVDSSA-N -1 0 330.211 3.766 20 0 EHADRM C/C=C(\CC)C(=O)N(C)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001594677538 987015168 /nfs/dbraw/zinc/01/51/68/987015168.db2.gz NWVANXASJLXGEO-QGQQYVBWSA-N -1 0 330.211 3.934 20 0 EHADRM CCOc1ccccc1[C@H](CC(C)C)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001597173553 987018975 /nfs/dbraw/zinc/01/89/75/987018975.db2.gz YAAYGOSGSJNTAP-UXLLHSPISA-N -1 0 347.455 3.790 20 0 EHADRM C/C=C\C[C@H]1CCCN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C1 ZINC001594686412 987065361 /nfs/dbraw/zinc/06/53/61/987065361.db2.gz VOUHGRLSYJVDJQ-QUCGXOGASA-N -1 0 338.354 3.873 20 0 EHADRM CC/C(=C/C(=O)N[C@H](CC(=O)[O-])C1CCCC1)c1ccc(OC)cc1 ZINC001594691037 987086931 /nfs/dbraw/zinc/08/69/31/987086931.db2.gz OEBQFNJHTMRYRD-RXXLQFRUSA-N -1 0 345.439 3.638 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CC(C)(C)[C@@H]3CCC[C@@H]32)cc1 ZINC001589509244 987132305 /nfs/dbraw/zinc/13/23/05/987132305.db2.gz OXUWDZBPMKRODZ-WQVCFCJDSA-N -1 0 330.428 3.917 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)C23CC(c4ccccc4)(C2)C3)c1 ZINC001589521593 987168120 /nfs/dbraw/zinc/16/81/20/987168120.db2.gz BPDXTHJPIBEDKT-YJPTXTSQSA-N -1 0 335.403 3.935 20 0 EHADRM Cc1ccc(NC(=O)c2c3c(nc4ccccc42)CCC3)cc1C(=O)[O-] ZINC000431546950 1032114581 /nfs/dbraw/zinc/11/45/81/1032114581.db2.gz SASRLESVAQHWMD-UHFFFAOYSA-N -1 0 346.386 3.982 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2c(F)ccc3ccncc32)c1 ZINC001589531349 987202159 /nfs/dbraw/zinc/20/21/59/987202159.db2.gz DNWDSFVJSUZJRA-LLVKDONJSA-N -1 0 338.338 3.814 20 0 EHADRM CCC(=O)c1ccc(OC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1 ZINC001594721095 987202532 /nfs/dbraw/zinc/20/25/32/987202532.db2.gz OCDYRZYIYNSQAR-UHFFFAOYSA-N -1 0 330.380 3.610 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2ncc(C(F)(F)F)s2)c1 ZINC001589531407 987203000 /nfs/dbraw/zinc/20/30/00/987203000.db2.gz DZWFXQXDNQFZIZ-ZETCQYMHSA-N -1 0 344.314 3.602 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2c[nH]c(-c3ccccc3)n2)c1 ZINC001589531414 987203045 /nfs/dbraw/zinc/20/30/45/987203045.db2.gz FRWWZRLWTARKKO-LBPRGKRZSA-N -1 0 335.363 3.517 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cccnc2C(F)(F)F)c1 ZINC001589531474 987203770 /nfs/dbraw/zinc/20/37/70/987203770.db2.gz FJQUPVAMUSVIBS-VIFPVBQESA-N -1 0 338.285 3.541 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@H](CC)c1cccc(C(F)(F)F)c1 ZINC001594725105 987226018 /nfs/dbraw/zinc/22/60/18/987226018.db2.gz LGWDUQZFUKXLPK-BXUZGUMPSA-N -1 0 345.361 3.911 20 0 EHADRM CC[C@@H](C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21)C1CCC(C)CC1 ZINC001594729649 987244331 /nfs/dbraw/zinc/24/43/31/987244331.db2.gz JRWOEHQSDPNSDY-PPPKJHQXSA-N -1 0 345.439 3.718 20 0 EHADRM C[C@@H](C(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21)c1cccnc1 ZINC001589543630 987261364 /nfs/dbraw/zinc/26/13/64/987261364.db2.gz RAQLBTSQCSGGEG-SJKOYZFVSA-N -1 0 325.364 3.504 20 0 EHADRM C[C@H](C(=O)OCc1csc(C(=O)[O-])c1)c1ccc(F)c(F)c1 ZINC001589545923 987266277 /nfs/dbraw/zinc/26/62/77/987266277.db2.gz DLXYNDDWDZQBCV-QMMMGPOBSA-N -1 0 326.320 3.571 20 0 EHADRM CC[C@@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1F)c1ccc(F)cc1 ZINC001594735138 987267039 /nfs/dbraw/zinc/26/70/39/987267039.db2.gz IOLWHOMGBSCUCC-LLVKDONJSA-N -1 0 337.297 3.934 20 0 EHADRM C[C@H](C(=O)OCc1oncc1C(=O)[O-])c1c(Cl)cccc1Cl ZINC001589547983 987272988 /nfs/dbraw/zinc/27/29/88/987272988.db2.gz WASFXZJPRUJHSX-ZETCQYMHSA-N -1 0 344.150 3.527 20 0 EHADRM CCSCc1cccc(NC(=O)N2CCC[C@@](C)(C(=O)[O-])C2)c1 ZINC001597265264 987294804 /nfs/dbraw/zinc/29/48/04/987294804.db2.gz LHTMPYKYUJPMJL-QGZVFWFLSA-N -1 0 336.457 3.658 20 0 EHADRM CCSCc1ccc(C(=O)Nc2cc(C)c(C(=O)[O-])c(C)n2)cc1 ZINC001597265468 987297347 /nfs/dbraw/zinc/29/73/47/987297347.db2.gz YGJWIGXLWHIPMV-UHFFFAOYSA-N -1 0 344.436 3.902 20 0 EHADRM CCSc1cccc(C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001597272424 987320981 /nfs/dbraw/zinc/32/09/81/987320981.db2.gz CMNJZPDPHGEZRH-MRXNPFEDSA-N -1 0 347.411 3.536 20 0 EHADRM CC(C)(C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)c1ccccc1Cl ZINC001589563510 987324577 /nfs/dbraw/zinc/32/45/77/987324577.db2.gz DJKSEWJHBQQCBX-BFUOFWGJSA-N -1 0 349.858 3.721 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC001597273004 987324912 /nfs/dbraw/zinc/32/49/12/987324912.db2.gz NVZVLTHYPQVLRD-KOLCDFICSA-N -1 0 342.848 3.779 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)NC1CC(CC(=O)[O-])C1 ZINC001597273165 987327099 /nfs/dbraw/zinc/32/70/99/987327099.db2.gz RKTTVQGIXAHVCT-UHFFFAOYSA-N -1 0 342.848 3.827 20 0 EHADRM CCSc1cccc(NC(=O)NC(C)(C)c2nocc2C(=O)[O-])c1 ZINC001597277179 987333193 /nfs/dbraw/zinc/33/31/93/987333193.db2.gz IVZAAEXBHMXJGE-UHFFFAOYSA-N -1 0 349.412 3.542 20 0 EHADRM CC(C)(C(=O)NCC1(C(=O)[O-])CCCC1)c1cccc(Cl)c1F ZINC001589570508 987339220 /nfs/dbraw/zinc/33/92/20/987339220.db2.gz MDPZSGDRLCYPQQ-UHFFFAOYSA-N -1 0 341.810 3.518 20 0 EHADRM CC(C)(C(=O)NCc1ccc(C(=O)[O-])cc1F)c1ccccc1Cl ZINC001589572947 987345997 /nfs/dbraw/zinc/34/59/97/987345997.db2.gz YNJAVLXAQSBBDR-UHFFFAOYSA-N -1 0 349.789 3.771 20 0 EHADRM CC(C)(C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)c1ccc(F)cc1 ZINC001589575786 987352733 /nfs/dbraw/zinc/35/27/33/987352733.db2.gz ANJWTZKLDNRVDB-UHFFFAOYSA-N -1 0 337.297 3.718 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)[C@@H]1CCCCC1(F)F)c1ccccc1 ZINC001589591547 987397917 /nfs/dbraw/zinc/39/79/17/987397917.db2.gz LDOFQPPPAOTBJA-UONOGXRCSA-N -1 0 339.382 3.780 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)CC(C1CC1)C1CC1)c1ccccc1 ZINC001589593096 987406316 /nfs/dbraw/zinc/40/63/16/987406316.db2.gz ZMGPJWLYPMMOFN-SFHVURJKSA-N -1 0 329.440 3.781 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)NCCC[C@H]1C=CCC1)c1ccccc1 ZINC001589595128 987412188 /nfs/dbraw/zinc/41/21/88/987412188.db2.gz SVXWFBFKHRQHSZ-RDJZCZTQSA-N -1 0 344.455 3.884 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(OC)c1)c1ccc(F)cc1 ZINC001597336664 987475274 /nfs/dbraw/zinc/47/52/74/987475274.db2.gz RLBFFCLTFCIYLD-HNNXBMFYSA-N -1 0 346.358 3.805 20 0 EHADRM CCc1[nH]c(C(=O)N(C)[C@@H]2CCC[C@@H]2C(C)(C)C)c(C)c1C(=O)[O-] ZINC001597354801 987499096 /nfs/dbraw/zinc/49/90/96/987499096.db2.gz QBHJGVJQVUVLRP-GXTWGEPZSA-N -1 0 334.460 3.871 20 0 EHADRM CC[C@H]1CC[C@H](C(=O)N[C@@](C)(CC(=O)[O-])c2cccc(OC)c2)CC1 ZINC001597355929 987504316 /nfs/dbraw/zinc/50/43/16/987504316.db2.gz OCIKECBNBDVIRN-AVYPCKFXSA-N -1 0 347.455 3.718 20 0 EHADRM CCc1[nH]c(C(=O)NCCCc2cccc(Cl)c2)c(C)c1C(=O)[O-] ZINC001597367985 987545628 /nfs/dbraw/zinc/54/56/28/987545628.db2.gz HWUUQBITZSTZSX-UHFFFAOYSA-N -1 0 348.830 3.600 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N2CCCc3occc3C2)cc1 ZINC001589636514 987555187 /nfs/dbraw/zinc/55/51/87/987555187.db2.gz XGSQIAXWSDSTEN-UHFFFAOYSA-N -1 0 342.395 3.622 20 0 EHADRM CCc1[nH]c(C(=O)Nc2cccc3c2OC(C)(C)C3)c(C)c1C(=O)[O-] ZINC001597374511 987562440 /nfs/dbraw/zinc/56/24/40/987562440.db2.gz QJJOSJJCLOYMLH-UHFFFAOYSA-N -1 0 342.395 3.550 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(NC(=O)NCCC2=CCCCC2)n1 ZINC001589654349 987607289 /nfs/dbraw/zinc/60/72/89/987607289.db2.gz HSWVBDBJLPHSIT-UHFFFAOYSA-N -1 0 337.445 3.517 20 0 EHADRM CCc1[nH]c(CN[C@@H](CCc2ccccc2)C(F)F)cc1C(=O)[O-] ZINC001597392804 987627978 /nfs/dbraw/zinc/62/79/78/987627978.db2.gz XNWVZWCPNDOKJS-INIZCTEOSA-N -1 0 336.382 3.631 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(NC(=O)c2ccc(Cl)c(F)c2)n1 ZINC001589657315 987630538 /nfs/dbraw/zinc/63/05/38/987630538.db2.gz ZCXIRIGPWKDQST-UHFFFAOYSA-N -1 0 342.779 3.550 20 0 EHADRM CCc1c2ccccc2oc1C(=O)OCc1nc(C)c(C(=O)[O-])s1 ZINC001597415247 987715301 /nfs/dbraw/zinc/71/53/01/987715301.db2.gz ONWDPWDBKJLCMN-UHFFFAOYSA-N -1 0 345.376 3.815 20 0 EHADRM CCc1c(NC(=O)c2cc(F)cc(C(=O)[O-])c2)cnn1C(CC)CC ZINC001597420465 987735992 /nfs/dbraw/zinc/73/59/92/987735992.db2.gz WWJBJKZRBAFUNM-UHFFFAOYSA-N -1 0 347.390 3.896 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC001589699883 987788605 /nfs/dbraw/zinc/78/86/05/987788605.db2.gz HRGOVBSEHBBHRE-IKGGRYGDSA-N -1 0 331.456 3.651 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)CCCc1ccccc1Cl ZINC001589701070 987795678 /nfs/dbraw/zinc/79/56/78/987795678.db2.gz UAXVFUMIQJNOKF-AWEZNQCLSA-N -1 0 325.836 3.668 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)/C=C/c1csc(C(F)(F)F)c1 ZINC001589701368 987796364 /nfs/dbraw/zinc/79/63/64/987796364.db2.gz YLTBMOMPMGIQLA-YEZKRMTDSA-N -1 0 349.374 3.786 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2ccc3c(c2)CCCC3=O)s1 ZINC001597444754 987813754 /nfs/dbraw/zinc/81/37/54/987813754.db2.gz ADXXEZXQVAOLIA-UHFFFAOYSA-N -1 0 343.404 3.780 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC001597449700 987834395 /nfs/dbraw/zinc/83/43/95/987834395.db2.gz IOFZXDANHWVFEV-STQMWFEESA-N -1 0 345.345 3.968 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)CCOc1ccccc1 ZINC001597450587 987840760 /nfs/dbraw/zinc/84/07/60/987840760.db2.gz XSKYTNSIVZEWIW-CQSZACIVSA-N -1 0 341.407 3.991 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001597451826 987844560 /nfs/dbraw/zinc/84/45/60/987844560.db2.gz AOCLANLXQWXBNP-SJORKVTESA-N -1 0 346.427 3.513 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)Nc1ccc(C(=O)[O-])nc1)c1ccccc1 ZINC001589716225 987857300 /nfs/dbraw/zinc/85/73/00/987857300.db2.gz LUSHIUWLCJWLIO-HNNXBMFYSA-N -1 0 327.384 3.689 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@H](C)CNc1ccccc1 ZINC001597456440 987860969 /nfs/dbraw/zinc/86/09/69/987860969.db2.gz CKNKOPFOATVHOJ-CYBMUJFWSA-N -1 0 341.411 3.569 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1C[C@]1(F)c1ccccc1 ZINC001597456910 987867372 /nfs/dbraw/zinc/86/73/72/987867372.db2.gz DTKWRPBLEPREGU-APWZRJJASA-N -1 0 342.370 3.706 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC001597457337 987872840 /nfs/dbraw/zinc/87/28/40/987872840.db2.gz JFINQGUQGHAYNF-RDJZCZTQSA-N -1 0 342.370 3.764 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC001597459759 987887709 /nfs/dbraw/zinc/88/77/09/987887709.db2.gz LWGGZDVQKADGNT-IRXDYDNUSA-N -1 0 338.407 3.872 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)Nc1cnn([C@H](C)C2CC2)c1 ZINC001597465056 987902422 /nfs/dbraw/zinc/90/24/22/987902422.db2.gz PTIUZBXIFCIYIN-LLVKDONJSA-N -1 0 342.399 3.759 20 0 EHADRM CC(C)(C)C1CC(NC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC001589727029 987918137 /nfs/dbraw/zinc/91/81/37/987918137.db2.gz WNCADTWWCVFDNY-DISOXQEGSA-N -1 0 330.428 3.821 20 0 EHADRM CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001589728254 987928881 /nfs/dbraw/zinc/92/88/81/987928881.db2.gz GZIBLSQGMZRTMK-ODLGNMLASA-N -1 0 333.428 3.960 20 0 EHADRM CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001589728508 987934087 /nfs/dbraw/zinc/93/40/87/987934087.db2.gz MZVQHENITHHXEK-BZUAXINKSA-N -1 0 338.492 3.639 20 0 EHADRM CS[C@@H]1CC[C@H](N(C)C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC001599787790 987953520 /nfs/dbraw/zinc/95/35/20/987953520.db2.gz HWWDVPKNYTUSNR-WDEREUQCSA-N -1 0 342.848 3.786 20 0 EHADRM CS[C@H]1CCC[C@H](NC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)C1 ZINC001599788756 987970755 /nfs/dbraw/zinc/97/07/55/987970755.db2.gz FYMQNHPKZPXYIR-JQWIXIFHSA-N -1 0 347.440 3.662 20 0 EHADRM CCc1cc(NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)nc(CC)n1 ZINC001597483213 987985039 /nfs/dbraw/zinc/98/50/39/987985039.db2.gz IOHOQBGSZXPLSX-OAHLLOKOSA-N -1 0 339.439 3.832 20 0 EHADRM CS[C@@H]1CCC[C@H](Nc2cc(C(F)(F)F)c(C(=O)[O-])cn2)C1 ZINC001599789983 987990408 /nfs/dbraw/zinc/99/04/08/987990408.db2.gz YMVXFUHPDZSOGI-DTWKUNHWSA-N -1 0 334.363 3.885 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001589743379 988025697 /nfs/dbraw/zinc/02/56/97/988025697.db2.gz LTJFDWWAHWRCTE-NWDGAFQWSA-N -1 0 349.324 3.722 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N3CC[C@@H](C)C[C@@H]3C(=O)[O-])o2)cc1 ZINC001597492786 988032169 /nfs/dbraw/zinc/03/21/69/988032169.db2.gz WHNLATLMWGQYOH-CZUORRHYSA-N -1 0 341.407 3.834 20 0 EHADRM CCc1ccc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1CC ZINC001597498393 988044919 /nfs/dbraw/zinc/04/49/19/988044919.db2.gz AWGLKKUIDCPFAR-QGZVFWFLSA-N -1 0 331.456 3.774 20 0 EHADRM CC(C)(C)C[C@@H](Nc1ccnc(Cc2ccc(F)cc2)n1)C(=O)[O-] ZINC001589757314 988072928 /nfs/dbraw/zinc/07/29/28/988072928.db2.gz SGWTZCJALDUIII-CQSZACIVSA-N -1 0 331.391 3.508 20 0 EHADRM CCc1ccc(C(=O)[O-])c(OC(=O)/C=C\c2ccc(Cl)nc2)c1 ZINC001597506392 988075742 /nfs/dbraw/zinc/07/57/42/988075742.db2.gz CXNWHQMYINXXSM-YVMONPNESA-N -1 0 331.755 3.614 20 0 EHADRM CSC[C@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001599795491 988090371 /nfs/dbraw/zinc/09/03/71/988090371.db2.gz ZWOURVLFSWLMTJ-GFCCVEGCSA-N -1 0 344.436 3.897 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)Nc2cccc(C(=O)[O-])c2N)cc1 ZINC001597512008 988095452 /nfs/dbraw/zinc/09/54/52/988095452.db2.gz OGXNRYFSDCRILW-LBPRGKRZSA-N -1 0 326.396 3.662 20 0 EHADRM CSCCCCCCC(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC001599797361 988119274 /nfs/dbraw/zinc/11/92/74/988119274.db2.gz GQCUXIYOOVPEGP-UHFFFAOYSA-N -1 0 327.421 3.557 20 0 EHADRM CSCCCCC(=O)OCc1ccc(C(=O)[O-])c2cccnc12 ZINC001599797733 988124835 /nfs/dbraw/zinc/12/48/35/988124835.db2.gz XAYGCQSRQHSZDU-UHFFFAOYSA-N -1 0 333.409 3.510 20 0 EHADRM CCc1ccc([C@H](NC(=O)[C@H](C)CC(=O)[O-])c2cccc(F)c2)cc1 ZINC001597514896 988125112 /nfs/dbraw/zinc/12/51/12/988125112.db2.gz XSXDZAUGRZYJDO-YJYMSZOUSA-N -1 0 343.398 3.705 20 0 EHADRM CSCCCC(=O)Nc1ccc(Br)c(C(=O)[O-])c1C ZINC001599797809 988125596 /nfs/dbraw/zinc/12/55/96/988125596.db2.gz PQDMDCJDWNZRCS-UHFFFAOYSA-N -1 0 346.246 3.537 20 0 EHADRM CCc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)o1 ZINC001597516576 988128696 /nfs/dbraw/zinc/12/86/96/988128696.db2.gz DRSMLBQRLWXGOV-LZWOXQAQSA-N -1 0 333.428 3.787 20 0 EHADRM CC(C)(C)CCCCNC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001589772005 988129001 /nfs/dbraw/zinc/12/90/01/988129001.db2.gz UCGGFCUTKOHKPX-HXUWFJFHSA-N -1 0 346.471 3.641 20 0 EHADRM CC(C)(C)CCN(CCc1ccccc1)C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001589774728 988135344 /nfs/dbraw/zinc/13/53/44/988135344.db2.gz VKRURHWZFGCVGM-CALCHBBNSA-N -1 0 331.456 3.605 20 0 EHADRM CC(C)(C)CCN(CCc1ccccc1)c1cnc(C(=O)[O-])cn1 ZINC001589774771 988136408 /nfs/dbraw/zinc/13/64/08/988136408.db2.gz WXVHSBBGYAZCET-UHFFFAOYSA-N -1 0 327.428 3.660 20 0 EHADRM CC(C)(C)CN(CC(=O)Nc1ccccc1C(=O)[O-])c1ccccc1 ZINC001589780265 988150761 /nfs/dbraw/zinc/15/07/61/988150761.db2.gz WAHWLSGBYLIFJV-UHFFFAOYSA-N -1 0 340.423 3.876 20 0 EHADRM CCc1ccc(CC(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)nc1 ZINC001597521258 988154347 /nfs/dbraw/zinc/15/43/47/988154347.db2.gz LUVBKSUQJLNVDT-SFHVURJKSA-N -1 0 346.471 3.507 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)c1ccoc1CC(=O)[O-] ZINC001597530802 988189032 /nfs/dbraw/zinc/18/90/32/988189032.db2.gz PHKPEWWQPRAFPA-UHFFFAOYSA-N -1 0 335.787 3.937 20 0 EHADRM CSCCc1ccc(NC(=O)NCc2cc(C)c(C(=O)[O-])o2)cc1 ZINC001599802291 988196758 /nfs/dbraw/zinc/19/67/58/988196758.db2.gz VEDKKDHHJRZAFB-UHFFFAOYSA-N -1 0 348.424 3.513 20 0 EHADRM CSCc1cccc(CNC(=O)Nc2ccc(C(=O)[O-])s2)c1 ZINC001599803238 988212259 /nfs/dbraw/zinc/21/22/59/988212259.db2.gz RMWLPDMIJZFVRN-UHFFFAOYSA-N -1 0 336.438 3.631 20 0 EHADRM CCc1ccc(NC(=O)[C@H](C)OCc2ccc(C)cc2)c(C(=O)[O-])c1 ZINC001597543237 988240503 /nfs/dbraw/zinc/24/05/03/988240503.db2.gz XTSQFEYECKPITB-AWEZNQCLSA-N -1 0 341.407 3.799 20 0 EHADRM CCc1ccc(NC(=O)Nc2ccc(CC(=O)[O-])cc2)cc1OC ZINC001597547006 988254698 /nfs/dbraw/zinc/25/46/98/988254698.db2.gz QAZIHQOPFCSGCX-UHFFFAOYSA-N -1 0 328.368 3.529 20 0 EHADRM CSc1c(F)cccc1NC(=O)NCC1(C(=O)[O-])CCCCC1 ZINC001599805869 988255163 /nfs/dbraw/zinc/25/51/63/988255163.db2.gz BBUYTHNNENIXLM-UHFFFAOYSA-N -1 0 340.420 3.704 20 0 EHADRM CSc1cc(C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])ccc1F ZINC001599806707 988267571 /nfs/dbraw/zinc/26/75/71/988267571.db2.gz RJNSBXMFKGYQAE-CYBMUJFWSA-N -1 0 339.432 3.559 20 0 EHADRM CCc1ccc(NCc2noc(-c3cccs3)n2)c(C(=O)[O-])c1 ZINC001597551070 988271351 /nfs/dbraw/zinc/27/13/51/988271351.db2.gz AMGOCNCZKRLKBW-UHFFFAOYSA-N -1 0 329.381 3.671 20 0 EHADRM CSc1cc(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)ccc1F ZINC001599807105 988273663 /nfs/dbraw/zinc/27/36/63/988273663.db2.gz HFVKSKPMLDLPCF-UHFFFAOYSA-N -1 0 349.383 3.653 20 0 EHADRM CSc1cc(C(=O)Nc2ccc(OC(C)C)cc2C(=O)[O-])ccn1 ZINC001599807488 988279544 /nfs/dbraw/zinc/27/95/44/988279544.db2.gz QCGIJZWBBUYZQE-UHFFFAOYSA-N -1 0 346.408 3.541 20 0 EHADRM CC(C)(C)NC(=S)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC001589832085 988304762 /nfs/dbraw/zinc/30/47/62/988304762.db2.gz OJJGSERBSCPVMH-UHFFFAOYSA-N -1 0 326.487 3.800 20 0 EHADRM CSc1cc2c(cc1NCc1ccc(C(=O)[O-])c(F)c1)OCCO2 ZINC001599809762 988314463 /nfs/dbraw/zinc/31/44/63/988314463.db2.gz PONRODJMLYCFGD-UHFFFAOYSA-N -1 0 349.383 3.629 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)CO[C@@H]1CCCC[C@@H]1CC ZINC001597572931 988355419 /nfs/dbraw/zinc/35/54/19/988355419.db2.gz OXSWUAWQKYHXIC-XJKSGUPXSA-N -1 0 333.428 3.871 20 0 EHADRM CSc1ccc(/C=C\C(=O)N(C)c2ccccc2C(=O)[O-])s1 ZINC001599812551 988362432 /nfs/dbraw/zinc/36/24/32/988362432.db2.gz NAAAXUJXSHCXEF-CLFYSBASSA-N -1 0 333.434 3.844 20 0 EHADRM CSc1ccc(/C=C\C(=O)N(C)C2(C(=O)[O-])CCCCC2)s1 ZINC001599813153 988373758 /nfs/dbraw/zinc/37/37/58/988373758.db2.gz SVHDZTQTAWNDKF-VURMDHGXSA-N -1 0 339.482 3.729 20 0 EHADRM CSc1ccc(/C=C\C(=O)Nc2cnc(C)c(C(=O)[O-])c2)s1 ZINC001599813577 988380700 /nfs/dbraw/zinc/38/07/00/988380700.db2.gz XSZGNGULITXQQC-HYXAFXHYSA-N -1 0 334.422 3.524 20 0 EHADRM CSc1ccc(/C=C/C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC001599813630 988382377 /nfs/dbraw/zinc/38/23/77/988382377.db2.gz YQAFUDQJTOCJOD-STMXVASLSA-N -1 0 345.445 3.698 20 0 EHADRM CCc1cccc(C)c1Nc1nnc(SC[C@H](F)C(=O)[O-])s1 ZINC001597581037 988384976 /nfs/dbraw/zinc/38/49/76/988384976.db2.gz MYGNMYUHGAIVEW-JTQLQIEISA-N -1 0 341.433 3.667 20 0 EHADRM CSc1ccc(Cl)c(C(=O)O[C@H](C)c2nc(C(=O)[O-])co2)c1 ZINC001599814463 988396865 /nfs/dbraw/zinc/39/68/65/988396865.db2.gz MAMGMWOPMNPHFU-SSDOTTSWSA-N -1 0 341.772 3.666 20 0 EHADRM CSc1ccc(Cl)c(NC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])c1 ZINC001599814669 988401303 /nfs/dbraw/zinc/40/13/03/988401303.db2.gz MKYDDNOPNLFTNY-JOYOIKCWSA-N -1 0 342.848 3.827 20 0 EHADRM CSc1ccc(NC(=O)[C@H]2CCc3cc(F)ccc32)cc1C(=O)[O-] ZINC001599816288 988430474 /nfs/dbraw/zinc/43/04/74/988430474.db2.gz SYZCTFYFHFDEOG-AWEZNQCLSA-N -1 0 345.395 3.914 20 0 EHADRM CCc1cccc(OC)c1COC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001597597592 988445894 /nfs/dbraw/zinc/44/58/94/988445894.db2.gz BKISXTHFXOZXOV-UHFFFAOYSA-N -1 0 328.364 3.621 20 0 EHADRM CSc1ccc(NC(=O)NCCc2ccc(F)cc2)cc1C(=O)[O-] ZINC001599818190 988465462 /nfs/dbraw/zinc/46/54/62/988465462.db2.gz AOEZYIZXPFBNQF-UHFFFAOYSA-N -1 0 348.399 3.610 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)n1 ZINC000127317108 1015392109 /nfs/dbraw/zinc/39/21/09/1015392109.db2.gz GEUYMDFWKQRLKA-UHFFFAOYSA-N -1 0 346.861 3.558 20 0 EHADRM CSc1cccc(NC(=O)CCc2ccc(C(=O)[O-])cc2)c1C ZINC001599824886 988581140 /nfs/dbraw/zinc/58/11/40/988581140.db2.gz VHOZZYPKEQZESX-UHFFFAOYSA-N -1 0 329.421 3.986 20 0 EHADRM CSc1ccsc1C(=O)Nc1ncc(C(=O)[O-])c2ccccc12 ZINC001599825875 988597698 /nfs/dbraw/zinc/59/76/98/988597698.db2.gz AWEJLQRARXCPMD-UHFFFAOYSA-N -1 0 344.417 3.969 20 0 EHADRM CC(C)c1ccc(CCN=c2[n-]nc(C3CCOCC3)s2)cc1 ZINC000579863248 1015408134 /nfs/dbraw/zinc/40/81/34/1015408134.db2.gz HYGBBDXNYQHPLC-UHFFFAOYSA-N -1 0 331.485 3.632 20 0 EHADRM C[C@@H](CC1CCCCC1)NC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001599834609 988722898 /nfs/dbraw/zinc/72/28/98/988722898.db2.gz HQQPPWWODNPQBR-AWEZNQCLSA-N -1 0 342.439 3.815 20 0 EHADRM CCc1nc([C@@H]2CCCCN2Cc2c(Cl)cccc2C(=O)[O-])no1 ZINC001597663475 988743145 /nfs/dbraw/zinc/74/31/45/988743145.db2.gz OPJGCBMDALZSFT-AWEZNQCLSA-N -1 0 349.818 3.711 20 0 EHADRM C[C@@H](NC(=O)CCc1ccccc1C(=O)[O-])c1cc(Cl)ccc1F ZINC001599838995 988792730 /nfs/dbraw/zinc/79/27/30/988792730.db2.gz JYGSDXYGGOXFLM-LLVKDONJSA-N -1 0 349.789 3.987 20 0 EHADRM C[C@@H](NC(=O)c1ccccc1-c1ccccc1C(=O)[O-])C(F)(F)F ZINC001599840797 988825760 /nfs/dbraw/zinc/82/57/60/988825760.db2.gz AVLIMCRTIOYANA-SNVBAGLBSA-N -1 0 337.297 3.732 20 0 EHADRM CCc1ncnc(N[C@@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])c1F ZINC001597709168 988958103 /nfs/dbraw/zinc/95/81/03/988958103.db2.gz JJPSCCJZMCSKEA-CJNGLKHVSA-N -1 0 343.402 3.553 20 0 EHADRM CCc1nocc1CN(C)[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001597756589 989174210 /nfs/dbraw/zinc/17/42/10/989174210.db2.gz NJTOKBVTBZWDAH-CQSZACIVSA-N -1 0 342.317 3.514 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN[C@@H](Cc1ccccc1)c1ncco1 ZINC001597767304 989218578 /nfs/dbraw/zinc/21/85/78/989218578.db2.gz JEONNUOWWFAQBO-HNNXBMFYSA-N -1 0 340.379 3.602 20 0 EHADRM CCc1oc(CN[C@H](c2ccccc2)c2cccnc2)cc1C(=O)[O-] ZINC001597799243 989379461 /nfs/dbraw/zinc/37/94/61/989379461.db2.gz PDHSBZZRENWGDF-LJQANCHMSA-N -1 0 336.391 3.814 20 0 EHADRM CCc1oc(CNc2ccc(C(=O)NCC(C)C)cc2)cc1C(=O)[O-] ZINC001597804450 989405626 /nfs/dbraw/zinc/40/56/26/989405626.db2.gz BEPFJNYHJTUFTE-UHFFFAOYSA-N -1 0 344.411 3.538 20 0 EHADRM CCc1oc2ccccc2c1CC(=O)NCC1(C(=O)[O-])CCCCC1 ZINC001597807539 989419180 /nfs/dbraw/zinc/41/91/80/989419180.db2.gz BHEJRHNCZXEYDJ-UHFFFAOYSA-N -1 0 343.423 3.689 20 0 EHADRM CCc1sc(C(=O)[O-])cc1-c1cccc([C@H](O)C(F)(F)F)n1 ZINC001597820598 989461129 /nfs/dbraw/zinc/46/11/29/989461129.db2.gz PIKBWQZAZBKNJN-LBPRGKRZSA-N -1 0 331.315 3.666 20 0 EHADRM CCn1cc(CN2Cc3ccc(C(=O)[O-])cc3C2)c(-c2ccccc2)n1 ZINC001597887125 989730295 /nfs/dbraw/zinc/73/02/95/989730295.db2.gz CMNPPHQWVQYGRI-UHFFFAOYSA-N -1 0 347.418 3.784 20 0 EHADRM CCn1cc(Cl)cc1C(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC001597895494 989757093 /nfs/dbraw/zinc/75/70/93/989757093.db2.gz MNDAURGJCGKPLX-UHFFFAOYSA-N -1 0 339.800 3.557 20 0 EHADRM CC(C)(C)OC1CC(CC(=O)Nc2cc(C(=O)[O-])ccc2Cl)C1 ZINC001590373989 989864639 /nfs/dbraw/zinc/86/46/39/989864639.db2.gz ALOZEUALFJCIGH-UHFFFAOYSA-N -1 0 339.819 3.961 20 0 EHADRM CC(C)(C)OCCCC(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001590382268 989897662 /nfs/dbraw/zinc/89/76/62/989897662.db2.gz NSFGBZNLUTUGDM-AWEZNQCLSA-N -1 0 328.792 3.604 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)N[C@@](C)(CC(=O)[O-])C2CC2)c1 ZINC001590398575 989930645 /nfs/dbraw/zinc/93/06/45/989930645.db2.gz HDAHWTULZJEWAD-IBGZPJMESA-N -1 0 348.443 3.767 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)Nc2cc(C(=O)[O-])cnc2Cl)cc1 ZINC001590410450 989952800 /nfs/dbraw/zinc/95/28/00/989952800.db2.gz XADSIXLFINIVAY-UHFFFAOYSA-N -1 0 348.786 3.863 20 0 EHADRM CC(C)(C)SCC(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1 ZINC001590429621 989985115 /nfs/dbraw/zinc/98/51/15/989985115.db2.gz QPRFWRRJFBXSNB-AWEZNQCLSA-N -1 0 329.506 3.838 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)c2cc3n(n2)CCCC3)s1 ZINC001590464230 990041287 /nfs/dbraw/zinc/04/12/87/990041287.db2.gz YQDWUCXVYHGJCY-UHFFFAOYSA-N -1 0 347.440 3.529 20 0 EHADRM CC(C)(C)c1ccc(CCCCC(=O)NOCCCC(=O)[O-])cc1 ZINC001590484701 990078741 /nfs/dbraw/zinc/07/87/41/990078741.db2.gz BYFSSKNNJWHMQY-UHFFFAOYSA-N -1 0 335.444 3.610 20 0 EHADRM CN(C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)C1(C(=O)[O-])CCCC1 ZINC001597991606 990096291 /nfs/dbraw/zinc/09/62/91/990096291.db2.gz QRTIMPHNMWXEPV-LBPRGKRZSA-N -1 0 347.308 3.572 20 0 EHADRM CC(C)(C)c1ccc(O)c(NC(=O)Cc2ccc(C(=O)[O-])cc2)c1 ZINC001590494014 990099618 /nfs/dbraw/zinc/09/96/18/990099618.db2.gz UFVUGCDSJWTTJW-UHFFFAOYSA-N -1 0 327.380 3.569 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCN2C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001590500142 990114182 /nfs/dbraw/zinc/11/41/82/990114182.db2.gz CFTXBYPJSMXGKG-UHFFFAOYSA-N -1 0 341.451 3.908 20 0 EHADRM CC(C)(C)c1ccccc1OCC(=O)Nc1sccc1C(=O)[O-] ZINC001590505551 990120297 /nfs/dbraw/zinc/12/02/97/990120297.db2.gz HZZJVZJIQYNBNY-UHFFFAOYSA-N -1 0 333.409 3.761 20 0 EHADRM CN(C(=O)C1CC=CC1)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001597998686 990128092 /nfs/dbraw/zinc/12/80/92/990128092.db2.gz RYULLULBGIKDLG-ZDUSSCGKSA-N -1 0 328.195 3.544 20 0 EHADRM CC(C)(C)c1cnc(COC(=O)C2(C(=O)[O-])CC3(CCC3)C2)s1 ZINC001590515895 990133061 /nfs/dbraw/zinc/13/30/61/990133061.db2.gz NSMGAQLLLKPTKC-UHFFFAOYSA-N -1 0 337.441 3.519 20 0 EHADRM CC(C)(C)c1cnc(SCc2cn3cccc(C(=O)[O-])c3n2)o1 ZINC001590527221 990141525 /nfs/dbraw/zinc/14/15/25/990141525.db2.gz XRMOMFARWASVHU-UHFFFAOYSA-N -1 0 331.397 3.610 20 0 EHADRM CC(C)(C)c1nc(C(=O)OCc2csc(C(=O)[O-])c2)cs1 ZINC001590537169 990152446 /nfs/dbraw/zinc/15/24/46/990152446.db2.gz CMDYUWXJGHXKLM-UHFFFAOYSA-N -1 0 325.411 3.557 20 0 EHADRM CC(C)(C)c1nc(CN2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)co1 ZINC001590539048 990164261 /nfs/dbraw/zinc/16/42/61/990164261.db2.gz XXPGHMOTCBIFDU-NSHDSACASA-N -1 0 349.456 3.506 20 0 EHADRM CC(C)(CC(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccc(F)cc1 ZINC001590621934 990304938 /nfs/dbraw/zinc/30/49/38/990304938.db2.gz UZACGHRODYWANW-UHFFFAOYSA-N -1 0 333.334 3.969 20 0 EHADRM CN(C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)C(C1CC1)C1CC1 ZINC001598056834 990319561 /nfs/dbraw/zinc/31/95/61/990319561.db2.gz VXLYJQVZMKNCIS-UHFFFAOYSA-N -1 0 327.384 3.518 20 0 EHADRM CN(C(=O)Nc1ccc(OC2CCCCC2)cc1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598060535 990328969 /nfs/dbraw/zinc/32/89/69/990328969.db2.gz OFWTWJOKVIMQST-OTVXOJSOSA-N -1 0 346.427 3.725 20 0 EHADRM CN(C(=O)c1cc(Cl)cc(Cl)c1F)C1(C(=O)[O-])CCCC1 ZINC001598077320 990382738 /nfs/dbraw/zinc/38/27/38/990382738.db2.gz ILRYRRMWXZWLEX-UHFFFAOYSA-N -1 0 334.174 3.602 20 0 EHADRM CN(C(=O)c1ccc(C(C)(F)F)cc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598083487 990411864 /nfs/dbraw/zinc/41/18/64/990411864.db2.gz ZWEDYKUIUKJTIB-OAHLLOKOSA-N -1 0 333.334 3.696 20 0 EHADRM CN(C(=O)c1cncc(C(=O)[O-])c1)c1ccc(-c2ccccc2)cc1 ZINC001598098084 990459910 /nfs/dbraw/zinc/45/99/10/990459910.db2.gz MDXDWBCCPUQAEN-UHFFFAOYSA-N -1 0 332.359 3.723 20 0 EHADRM CC(C)(CNC(=O)CCc1ccc(-c2ccccc2F)o1)CC(=O)[O-] ZINC001590708708 990462470 /nfs/dbraw/zinc/46/24/70/990462470.db2.gz WRLMWMKYOHDOOL-UHFFFAOYSA-N -1 0 347.386 3.635 20 0 EHADRM CC(C)(CNC(=O)Cc1ccc(-c2ccccc2)cc1)CC(=O)[O-] ZINC001590713578 990469129 /nfs/dbraw/zinc/46/91/29/990469129.db2.gz RJBOEJDFTOYCLA-UHFFFAOYSA-N -1 0 325.408 3.513 20 0 EHADRM CC(C)(C)c1ccc2cc(C(=O)NCC(C)(C)CC(=O)[O-])[nH]c2c1 ZINC001590749362 990548422 /nfs/dbraw/zinc/54/84/22/990548422.db2.gz OGFSAEFJDGACCZ-UHFFFAOYSA-N -1 0 330.428 3.696 20 0 EHADRM CC(C)(CNC(=O)c1ccccc1NCc1ccccc1)CC(=O)[O-] ZINC001590757432 990557354 /nfs/dbraw/zinc/55/73/54/990557354.db2.gz WFGQINYDSXFEKR-UHFFFAOYSA-N -1 0 340.423 3.529 20 0 EHADRM CC(C)(Cc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC001590822055 990662699 /nfs/dbraw/zinc/66/26/99/990662699.db2.gz RGFXDNOEBVHRFL-UHFFFAOYSA-N -1 0 347.798 3.951 20 0 EHADRM CC(C)(NCc1nc2cc(C(=O)[O-])ccc2[nH]1)c1ccc(F)cc1F ZINC001590875124 990787330 /nfs/dbraw/zinc/78/73/30/990787330.db2.gz UWJWRJXMAVFEEK-UHFFFAOYSA-N -1 0 345.349 3.564 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)C1(C)C ZINC001590914539 990898906 /nfs/dbraw/zinc/89/89/06/990898906.db2.gz JDRVFGXKHDYVHO-ZACQAIPSSA-N -1 0 329.440 3.784 20 0 EHADRM CC(C)=CCC[C@H](C)CC(=O)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001590915590 990904350 /nfs/dbraw/zinc/90/43/50/990904350.db2.gz XXVIUIMDJABRPB-HNNXBMFYSA-N -1 0 345.439 3.878 20 0 EHADRM CC(C)=CCN(Cc1ccc(Cl)cc1)Cc1cnc(C(=O)[O-])cn1 ZINC001590921618 990911732 /nfs/dbraw/zinc/91/17/32/990911732.db2.gz RWDXCDCILZZJRP-UHFFFAOYSA-N -1 0 345.830 3.797 20 0 EHADRM CC(C)=CCC[C@@H](C)CC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001590921757 990913255 /nfs/dbraw/zinc/91/32/55/990913255.db2.gz JZZJHMYSGXWSIX-UZLBHIALSA-N -1 0 331.456 3.918 20 0 EHADRM CC(C)=CCC[C@@H](C)NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001590921738 990913348 /nfs/dbraw/zinc/91/33/48/990913348.db2.gz JLURDWCXEBTKSD-CYBMUJFWSA-N -1 0 328.412 3.660 20 0 EHADRM COc1cccc([C@H](NCc2cc3c(cccc3O)s2)C(=O)[O-])c1 ZINC001599687782 991015016 /nfs/dbraw/zinc/01/50/16/991015016.db2.gz CDMRGRVIZDMWPJ-KRWDZBQOSA-N -1 0 343.404 3.531 20 0 EHADRM COc1cccc2c(C(=O)Nc3cc(C)c(C(=O)[O-])s3)coc21 ZINC001599689043 991035717 /nfs/dbraw/zinc/03/57/17/991035717.db2.gz AELSFOZJNGPYCI-UHFFFAOYSA-N -1 0 331.349 3.762 20 0 EHADRM COc1cccc2c1[C@@H](C(=O)Nc1c(C)sc(C)c1C(=O)[O-])CC2 ZINC001599689175 991038520 /nfs/dbraw/zinc/03/85/20/991038520.db2.gz CFSPNAQIFKJSMR-LBPRGKRZSA-N -1 0 345.420 3.740 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001590967642 991082911 /nfs/dbraw/zinc/08/29/11/991082911.db2.gz CICHYBVCMYVYCD-FUHIMQAGSA-N -1 0 331.456 3.651 20 0 EHADRM CC(C)C(C)(C)[S@](=O)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001590967873 991087811 /nfs/dbraw/zinc/08/78/11/991087811.db2.gz KTRHTNMYSBDVCV-HSZRJFAPSA-N -1 0 335.425 3.723 20 0 EHADRM COc1cccc2c1CN(Cc1cccc(C(=O)[O-])c1Cl)CC2 ZINC001599692938 991099797 /nfs/dbraw/zinc/09/97/97/991099797.db2.gz RYCNNAHAYRAALM-UHFFFAOYSA-N -1 0 331.799 3.605 20 0 EHADRM CC(C)[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1N)c1ccccc1 ZINC001590976734 991126905 /nfs/dbraw/zinc/12/69/05/991126905.db2.gz WRUFGIMINMEIGN-HNNXBMFYSA-N -1 0 326.396 3.735 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)O[C@H](C)c1cc(C(=O)[O-])co1 ZINC001599699159 991192661 /nfs/dbraw/zinc/19/26/61/991192661.db2.gz VFKPTZWARPNQSL-JATZPVMKSA-N -1 0 330.336 3.694 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)C(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001590993212 991210904 /nfs/dbraw/zinc/21/09/04/991210904.db2.gz HOAYQQFEKYRIGF-GOSISDBHSA-N -1 0 337.419 3.789 20 0 EHADRM CC(C)[C@@H](F)C(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001590996018 991223427 /nfs/dbraw/zinc/22/34/27/991223427.db2.gz GTRQFNBTVAVJLE-CYBMUJFWSA-N -1 0 333.812 3.839 20 0 EHADRM CC(C)[C@H](NC(=O)N1CC[C@H](C(=O)[O-])C1)c1ccc(C(C)(C)C)cc1 ZINC001591007401 991269503 /nfs/dbraw/zinc/26/95/03/991269503.db2.gz FFIXAVVACBYACO-RDJZCZTQSA-N -1 0 346.471 3.797 20 0 EHADRM CC(C)[C@H](NC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)C1CC1 ZINC001591012858 991278932 /nfs/dbraw/zinc/27/89/32/991278932.db2.gz AXVJKODWQMRTKM-KRWDZBQOSA-N -1 0 345.443 3.541 20 0 EHADRM COc1ccccc1C[C@H](CNC(=O)[C@@H](C)CCC(C)(C)C)C(=O)[O-] ZINC001599706227 991296599 /nfs/dbraw/zinc/29/65/99/991296599.db2.gz GKEXLYRSSRWGSC-GOEBONIOSA-N -1 0 349.471 3.517 20 0 EHADRM COc1ccccc1C/C(C)=C/C(=O)Nc1scc(C(=O)[O-])c1C ZINC001599709374 991345157 /nfs/dbraw/zinc/34/51/57/991345157.db2.gz QBIGJFVWXDEPEP-PKNBQFBNSA-N -1 0 345.420 3.891 20 0 EHADRM CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001591057767 991470147 /nfs/dbraw/zinc/47/01/47/991470147.db2.gz JAMDFXTWYFEEJK-AUUYWEPGSA-N -1 0 330.428 3.606 20 0 EHADRM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1cc(Br)ccc1C(=O)[O-] ZINC001591058405 991473759 /nfs/dbraw/zinc/47/37/59/991473759.db2.gz ORUFTSIGNQXMLZ-NHYWBVRUSA-N -1 0 340.217 3.768 20 0 EHADRM COc1ccccc1S[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001599718137 991491858 /nfs/dbraw/zinc/49/18/58/991491858.db2.gz JBYROYUPSHPBQI-GFCCVEGCSA-N -1 0 345.420 3.821 20 0 EHADRM CC(C)C1(C)CCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC001591060945 991495452 /nfs/dbraw/zinc/49/54/52/991495452.db2.gz BVMLNDVPRHIWLL-UHFFFAOYSA-N -1 0 340.370 3.953 20 0 EHADRM CC(C)[C@H]1C[C@H](COC(=O)c2cc(C(=O)[O-])ccc2Cl)CCO1 ZINC001591076557 991559116 /nfs/dbraw/zinc/55/91/16/991559116.db2.gz PZNZDTOTJKSVBD-IAQYHMDHSA-N -1 0 340.803 3.646 20 0 EHADRM COc1cncc(/C=C\CCNc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC001599726186 991629214 /nfs/dbraw/zinc/62/92/14/991629214.db2.gz GIOGHZBECIIZBR-UYWPIULCSA-N -1 0 340.423 3.869 20 0 EHADRM CC(C)[C@H]1CN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)[C@H]1C(C)C ZINC001591093261 991655787 /nfs/dbraw/zinc/65/57/87/991655787.db2.gz NGUDQUAYMCXKPW-AEFFLSMTSA-N -1 0 348.443 3.684 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)Nc2cccc(CCC(=O)[O-])c2)[C@@H]1C(C)C ZINC001591093370 991657456 /nfs/dbraw/zinc/65/74/56/991657456.db2.gz RJHHHTUKFUQBFS-FUHWJXTLSA-N -1 0 332.444 3.848 20 0 EHADRM COc1nc(CNc2cccc3cc(C(=O)[O-])sc32)ccc1C ZINC001599729972 991696379 /nfs/dbraw/zinc/69/63/79/991696379.db2.gz HIJZACQFEDGOEY-UHFFFAOYSA-N -1 0 328.393 3.924 20 0 EHADRM CC(C)[C@@H]1N(C(=O)CCc2ccc(C(=O)[O-])cc2)CC12CC=CC2 ZINC001591099052 991707379 /nfs/dbraw/zinc/70/73/79/991707379.db2.gz JUCWPWYHNKSAIA-SFHVURJKSA-N -1 0 327.424 3.521 20 0 EHADRM COc1nc(N[C@@H](C)c2cccc(OC(C)C)c2)ccc1C(=O)[O-] ZINC001599731651 991717944 /nfs/dbraw/zinc/71/79/44/991717944.db2.gz KJKHNOPYOBPICK-LBPRGKRZSA-N -1 0 330.384 3.749 20 0 EHADRM CC(C)C[C@@H](NC(=O)CSCc1cccc2ccccc21)C(=O)[O-] ZINC001591173640 991965481 /nfs/dbraw/zinc/96/54/81/991965481.db2.gz KDRQUDHNAOPBFK-QGZVFWFLSA-N -1 0 345.464 3.689 20 0 EHADRM CC(C)C[C@@H](NC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)c1ccccc1 ZINC001591178162 991975277 /nfs/dbraw/zinc/97/52/77/991975277.db2.gz NZWRWZDFWQHVGA-QKLQHJQFSA-N -1 0 344.455 3.670 20 0 EHADRM CC(C)C[C@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC001591178705 991977312 /nfs/dbraw/zinc/97/73/12/991977312.db2.gz UEVVJYVECXEHBJ-SFHVURJKSA-N -1 0 341.407 3.667 20 0 EHADRM CN(C[C@H]1CCc2ccccc21)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001598468764 991991051 /nfs/dbraw/zinc/99/10/51/991991051.db2.gz ZXEOSFASWOZPDJ-CQSZACIVSA-N -1 0 342.370 3.718 20 0 EHADRM CC(C)CC1(CNC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)CC1 ZINC001591196496 992012119 /nfs/dbraw/zinc/01/21/19/992012119.db2.gz DFCVGSXDLFKASO-UHFFFAOYSA-N -1 0 329.400 3.814 20 0 EHADRM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001591220779 992082146 /nfs/dbraw/zinc/08/21/46/992082146.db2.gz CHZVOUBXQFPMOE-ULQDDVLXSA-N -1 0 338.492 3.878 20 0 EHADRM CC(C)CC[C@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)C(C)(C)C ZINC001591221238 992085180 /nfs/dbraw/zinc/08/51/80/992085180.db2.gz IBXFRNXYZPBNAC-XHSDSOJGSA-N -1 0 338.492 3.590 20 0 EHADRM CC(C)CCCCC(=O)N(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001591229880 992115711 /nfs/dbraw/zinc/11/57/11/992115711.db2.gz ZGPCMQSPKZOPIO-INIZCTEOSA-N -1 0 345.361 3.904 20 0 EHADRM CC(C)CCCCCCNC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001591236488 992117822 /nfs/dbraw/zinc/11/78/22/992117822.db2.gz HLKLTGCWGHCILC-GFCCVEGCSA-N -1 0 341.477 3.808 20 0 EHADRM CC(C)CCNC(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC001591246736 992146246 /nfs/dbraw/zinc/14/62/46/992146246.db2.gz ZCFWVSIRUQHTGX-UHFFFAOYSA-N -1 0 347.440 3.605 20 0 EHADRM CC(C)CCOc1ccc(C(=O)N[C@H](CC(=O)[O-])C2CCCC2)cc1 ZINC001591260386 992168624 /nfs/dbraw/zinc/16/86/24/992168624.db2.gz WSFHJJZDLMLARJ-GOSISDBHSA-N -1 0 347.455 3.875 20 0 EHADRM CC(C)CCOc1ccc(NCc2cccc(C(=O)[O-])n2)cc1F ZINC001591261060 992171646 /nfs/dbraw/zinc/17/16/46/992171646.db2.gz SJVUVLDQJLGUEI-UHFFFAOYSA-N -1 0 332.375 3.956 20 0 EHADRM CC(C)CCOc1ccccc1NC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001591266117 992177287 /nfs/dbraw/zinc/17/72/87/992177287.db2.gz RMEAUBBBFIFFAU-HUUCEWRRSA-N -1 0 348.443 3.686 20 0 EHADRM CC(C)CCn1c2ccccc2nc1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001591274379 992193790 /nfs/dbraw/zinc/19/37/90/992193790.db2.gz KUCBGDZKYUVPRN-UONOGXRCSA-N -1 0 343.427 3.522 20 0 EHADRM CC(C)CN(C(=O)COc1cccc2ccccc21)C(C)(C)C(=O)[O-] ZINC001591280137 992206371 /nfs/dbraw/zinc/20/63/71/992206371.db2.gz CGNFQNIUWYJDJR-UHFFFAOYSA-N -1 0 343.423 3.566 20 0 EHADRM CC(C)CN(C(=O)[C@H](C)Oc1cccc(C(C)C)c1)C(C)(C)C(=O)[O-] ZINC001591281136 992213138 /nfs/dbraw/zinc/21/31/38/992213138.db2.gz IBKXELBLWCMTDK-HNNXBMFYSA-N -1 0 349.471 3.925 20 0 EHADRM CC(C)CN(C(=O)C1CC(c2ccc(F)cc2)C1)C(C)(C)C(=O)[O-] ZINC001591281554 992216787 /nfs/dbraw/zinc/21/67/87/992216787.db2.gz SBQZINMMZBVQGG-UHFFFAOYSA-N -1 0 335.419 3.667 20 0 EHADRM CC(C)CN(C(=O)c1cc(Cl)nc2ccccc21)C(C)(C)C(=O)[O-] ZINC001591284900 992221866 /nfs/dbraw/zinc/22/18/66/992221866.db2.gz HCIPFMVKAFZLFK-UHFFFAOYSA-N -1 0 348.830 3.850 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)[C@H]1CCC[C@H]1Cc1ccccc1 ZINC001591323923 992298733 /nfs/dbraw/zinc/29/87/33/992298733.db2.gz ZPZVDTXEEXONQR-ROUUACIJSA-N -1 0 331.456 3.605 20 0 EHADRM CC(C)CN(Cc1ccccn1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001591343811 992326307 /nfs/dbraw/zinc/32/63/07/992326307.db2.gz FQFBCSNVVWXPDB-UHFFFAOYSA-N -1 0 345.374 3.609 20 0 EHADRM CN(CCOCC1CCC1)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598498301 992392829 /nfs/dbraw/zinc/39/28/29/992392829.db2.gz VRMKTJWYHGZKFY-HNNXBMFYSA-N -1 0 346.254 3.868 20 0 EHADRM CC(C)COc1ccccc1NC(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001591409701 992485202 /nfs/dbraw/zinc/48/52/02/992485202.db2.gz KQUIJZHRSYRTFO-UHFFFAOYSA-N -1 0 348.443 3.878 20 0 EHADRM CC(C)C[C@H](NC(=O)CC(C)(C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001591450214 992556756 /nfs/dbraw/zinc/55/67/56/992556756.db2.gz IUUPAVCFFKOTLX-HNNXBMFYSA-N -1 0 339.863 3.914 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)N[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC001591488211 992615224 /nfs/dbraw/zinc/61/52/24/992615224.db2.gz BINXQTZGLAIBLT-GUYCJALGSA-N -1 0 345.464 3.992 20 0 EHADRM CC(C)Cc1ccccc1C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001591488264 992615805 /nfs/dbraw/zinc/61/58/05/992615805.db2.gz DZFVNJMHXXJOEW-KRWDZBQOSA-N -1 0 331.456 3.896 20 0 EHADRM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)C[C@@H]1CCCC(C)(C)C1 ZINC001598520468 992672017 /nfs/dbraw/zinc/67/20/17/992672017.db2.gz HDCYWQRGQXFJMD-INIZCTEOSA-N -1 0 347.455 3.715 20 0 EHADRM CC(C)N(CC(=O)Nc1ccc(C(=O)[O-])cc1)[C@@H](C)c1ccsc1 ZINC001591561656 992766514 /nfs/dbraw/zinc/76/65/14/992766514.db2.gz ZKSPOLOHXCQOFP-ZDUSSCGKSA-N -1 0 346.452 3.856 20 0 EHADRM CC(C)N(Cc1cccc(F)c1)C(=O)c1ccc(C(=O)[O-])cc1F ZINC001591600079 992828951 /nfs/dbraw/zinc/82/89/51/992828951.db2.gz BLNSKVWRCWUWDP-UHFFFAOYSA-N -1 0 333.334 3.714 20 0 EHADRM CC(C)N(Cc1ccccc1)C(=O)CSc1ccc(C(=O)[O-])cc1 ZINC001591600732 992832552 /nfs/dbraw/zinc/83/25/52/992832552.db2.gz UFYWOMOMSNJCIF-UHFFFAOYSA-N -1 0 343.448 3.914 20 0 EHADRM CC(C)Cc1nnc(NC(=O)c2cc(F)c(F)cc2Cl)s1 ZINC000014380564 1015761016 /nfs/dbraw/zinc/76/10/16/1015761016.db2.gz HQXHHPWOOHJQFF-UHFFFAOYSA-N -1 0 331.775 3.921 20 0 EHADRM O=C([O-])CCN(C(=O)CCCc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000238032993 1015777097 /nfs/dbraw/zinc/77/70/97/1015777097.db2.gz OMPNILMTNQTZSN-UHFFFAOYSA-N -1 0 344.238 3.782 20 0 EHADRM C[C@H](NC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1)c1cc2ccccc2s1 ZINC001593073053 993632256 /nfs/dbraw/zinc/63/22/56/993632256.db2.gz XKLSECXICYMLKL-MBNYWOFBSA-N -1 0 346.452 3.715 20 0 EHADRM C[C@H](NC(=O)NC1(C)CCC(C)(C)CC1)c1ncc(C(=O)[O-])s1 ZINC001593082532 993670420 /nfs/dbraw/zinc/67/04/20/993670420.db2.gz ISXQZQYFSQDNPG-JTQLQIEISA-N -1 0 339.461 3.560 20 0 EHADRM C[C@@H](NC(=O)NCCCCC1(C(=O)[O-])CCC1)C1CCC(F)CC1 ZINC001593088806 993702461 /nfs/dbraw/zinc/70/24/61/993702461.db2.gz LSCOJGVOKDVRTO-WLYUNCDWSA-N -1 0 342.455 3.628 20 0 EHADRM C[C@H](c1ccccc1)[C@H](C)NC(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001593089400 993706984 /nfs/dbraw/zinc/70/69/84/993706984.db2.gz VOQWMAMLVRHZTI-GJZGRUSLSA-N -1 0 332.444 3.513 20 0 EHADRM COc1ccc(NC(=O)c2cc(Cl)nc(C3CC3)c2)c(C(=O)[O-])c1 ZINC001599593788 993722222 /nfs/dbraw/zinc/72/22/22/993722222.db2.gz LIOBCVLYGACSQC-UHFFFAOYSA-N -1 0 346.770 3.572 20 0 EHADRM C[C@H](NC(=O)Nc1cccc2cc(C(=O)[O-])sc21)c1ccccn1 ZINC001593118199 993825349 /nfs/dbraw/zinc/82/53/49/993825349.db2.gz GFMIHNNJBANYRG-JTQLQIEISA-N -1 0 341.392 3.877 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc2sccc2c1)c1ncc(C(=O)[O-])s1 ZINC001593118748 993833359 /nfs/dbraw/zinc/83/33/59/993833359.db2.gz UNDPKXUGDFENSY-MRVPVSSYSA-N -1 0 347.421 3.939 20 0 EHADRM COc1ccc(OCc2ccccc2CC(=O)[O-])c(C(F)(F)F)c1 ZINC001599606862 993898192 /nfs/dbraw/zinc/89/81/92/993898192.db2.gz OJCQVXIQFBZKHF-UHFFFAOYSA-N -1 0 340.297 3.920 20 0 EHADRM C[C@@H](NC(=O)c1cc2sccc2s1)c1ncc(C(=O)[O-])s1 ZINC001593155531 993968934 /nfs/dbraw/zinc/96/89/34/993968934.db2.gz DPFKOPSDIAHDMN-ZCFIWIBFSA-N -1 0 338.435 3.609 20 0 EHADRM C[C@@H](NC(=O)c1ccc(F)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593161251 993991830 /nfs/dbraw/zinc/99/18/30/993991830.db2.gz AEHWMVVWUKSYPT-RISCZKNCSA-N -1 0 349.789 3.541 20 0 EHADRM C[C@H](NC(=O)c1ccc(/C=C\C(=O)[O-])o1)c1ccc(Cl)c(F)c1 ZINC001593163596 994002177 /nfs/dbraw/zinc/00/21/77/994002177.db2.gz SIZOASLANWCLIY-WYDVEAGSSA-N -1 0 337.734 3.661 20 0 EHADRM COc1ccc2[nH]c(C(=O)O[C@@H](C)c3cc(C)c(C(=O)[O-])o3)cc2c1 ZINC001599622877 994108932 /nfs/dbraw/zinc/10/89/32/994108932.db2.gz LOVYZJFVDOLCDN-JTQLQIEISA-N -1 0 343.335 3.694 20 0 EHADRM C[C@H](N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)c1cscn1 ZINC001593190501 994121949 /nfs/dbraw/zinc/12/19/49/994121949.db2.gz PDRDYPHUEPGXLA-UFBFGSQYSA-N -1 0 330.331 3.638 20 0 EHADRM COc1ccc2c(c1)C(C)(C)C[C@@H]2N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001599624394 994128285 /nfs/dbraw/zinc/12/82/85/994128285.db2.gz CVPXXGLIEFSSMP-HZMBPMFUSA-N -1 0 346.452 3.923 20 0 EHADRM C[C@H](NC(=S)Nc1cc(F)c(C(=O)[O-])c(F)c1)c1cccs1 ZINC001593190912 994128972 /nfs/dbraw/zinc/12/89/72/994128972.db2.gz YMVPHCMJSOUFOM-ZETCQYMHSA-N -1 0 342.392 3.772 20 0 EHADRM COc1ccc2c(c1)[C@H](C(=O)Nc1cccc(C(=O)[O-])c1Cl)CC2 ZINC001599626184 994151994 /nfs/dbraw/zinc/15/19/94/994151994.db2.gz WAFUYMHMXQDVDB-GFCCVEGCSA-N -1 0 345.782 3.715 20 0 EHADRM CN1c2ccccc2C(=O)N[C@@H]1c1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001598632531 994193060 /nfs/dbraw/zinc/19/30/60/994193060.db2.gz GYHOJJFSMCDMDK-SFHVURJKSA-N -1 0 348.358 3.523 20 0 EHADRM C[C@H](N[C@@H](C)c1nccn1-c1ccccc1)c1cc(C(=O)[O-])co1 ZINC001593204886 994208598 /nfs/dbraw/zinc/20/85/98/994208598.db2.gz WSZQDJHFYBENDN-STQMWFEESA-N -1 0 325.368 3.575 20 0 EHADRM COc1ccc2cc(C(=O)N(CC(=O)[O-])c3ccccc3)sc2c1 ZINC001599633889 994258033 /nfs/dbraw/zinc/25/80/33/994258033.db2.gz TVDNDZNTAJTCFG-UHFFFAOYSA-N -1 0 341.388 3.641 20 0 EHADRM COc1ccc2ccc(OC(=O)c3cc(C(=O)[O-])oc3C)cc2c1 ZINC001599635660 994284306 /nfs/dbraw/zinc/28/43/06/994284306.db2.gz CGKAIKDIWHBZMM-UHFFFAOYSA-N -1 0 326.304 3.667 20 0 EHADRM COc1ccc2sc(C(=O)N[C@H]3CC[C@@H](CC(=O)[O-])C3)c(C)c2c1 ZINC001599638299 994321478 /nfs/dbraw/zinc/32/14/78/994321478.db2.gz GYIIENPKZDNZKP-NEPJUHHUSA-N -1 0 347.436 3.592 20 0 EHADRM C[C@@H](N[C@@H]1CCCOc2c(F)cccc21)c1ncc(C(=O)[O-])s1 ZINC001593221195 994322000 /nfs/dbraw/zinc/32/20/00/994322000.db2.gz YGRWKXOXIWVJCE-BXKDBHETSA-N -1 0 336.388 3.545 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1ccc(C(F)F)cc1F ZINC001599643427 994390843 /nfs/dbraw/zinc/39/08/43/994390843.db2.gz HDMXIUXMVCPJME-UHFFFAOYSA-N -1 0 340.253 3.689 20 0 EHADRM CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(Cl)c1[O-] ZINC000077012381 1015860086 /nfs/dbraw/zinc/86/00/86/1015860086.db2.gz FQAKRGWJXVXEAS-GFCCVEGCSA-N -1 0 342.823 3.533 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)CCc1ccc(C)cc1C ZINC001599646548 994432185 /nfs/dbraw/zinc/43/21/85/994432185.db2.gz ZLDKWMIKKJIWJI-UHFFFAOYSA-N -1 0 341.407 3.606 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)Nc2ncc(C(=O)[O-])cc2Cl)c1 ZINC001599654957 994563794 /nfs/dbraw/zinc/56/37/94/994563794.db2.gz FFDLPBNKPZRDDC-JTQLQIEISA-N -1 0 348.786 3.574 20 0 EHADRM COc1cccc([C@@H](C)SCC(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC001599656892 994595838 /nfs/dbraw/zinc/59/58/38/994595838.db2.gz HONVTOAFHCTVCV-GFCCVEGCSA-N -1 0 345.420 3.826 20 0 EHADRM C[C@@H](NCc1csc(-c2ccc(C(=O)[O-])cc2)n1)c1ccns1 ZINC001593311299 994779866 /nfs/dbraw/zinc/77/98/66/994779866.db2.gz FFFTXKLEBBOXRG-SNVBAGLBSA-N -1 0 345.449 3.816 20 0 EHADRM C[C@@H](NCc1nc(C(=O)[O-])cs1)c1cccc(Cl)c1Cl ZINC001593312164 994795225 /nfs/dbraw/zinc/79/52/25/994795225.db2.gz PVCCJMUJATUVOX-SSDOTTSWSA-N -1 0 331.224 3.999 20 0 EHADRM COc1cccc(CN[C@H](C(=O)[O-])c2c(F)cccc2Cl)c1C ZINC001599673734 994859996 /nfs/dbraw/zinc/85/99/96/994859996.db2.gz ITZAKMVUMPUEDF-INIZCTEOSA-N -1 0 337.778 3.712 20 0 EHADRM CNc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c(Cl)c1 ZINC001598678852 994892790 /nfs/dbraw/zinc/89/27/90/994892790.db2.gz MXGMHWFALASVJC-UHFFFAOYSA-N -1 0 339.178 3.986 20 0 EHADRM C[C@@H](N[C@@H](C)c1ccccc1OCC(=O)[O-])c1ccc(F)cc1F ZINC001593354889 994998880 /nfs/dbraw/zinc/99/88/80/994998880.db2.gz ZZPZWISZAWTUPH-NEPJUHHUSA-N -1 0 335.350 3.840 20 0 EHADRM C[C@H](Nc1ccc(OC(F)(F)F)cc1)c1cncc(C(=O)[O-])c1 ZINC001593362432 995031760 /nfs/dbraw/zinc/03/17/60/995031760.db2.gz HLWGPJRBIVNCGD-VIFPVBQESA-N -1 0 326.274 3.852 20 0 EHADRM C[C@@H](Nc1nc(C2CCCC2)ns1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593373313 995065679 /nfs/dbraw/zinc/06/56/79/995065679.db2.gz BAEGXZAPKRZRTN-IUODEOHRSA-N -1 0 345.468 3.940 20 0 EHADRM COC(=O)[C@H](NCc1cccc(C(=O)[O-])c1)c1ccc2ccccc2c1 ZINC001598708801 995322111 /nfs/dbraw/zinc/32/21/11/995322111.db2.gz IQGAZALTPTZMRN-LJQANCHMSA-N -1 0 349.386 3.542 20 0 EHADRM C[C@H](OC(=O)Cc1ccc(C(=O)[O-])cc1)c1csc(C2CC2)n1 ZINC001593534577 995590161 /nfs/dbraw/zinc/59/01/61/995590161.db2.gz DOXCIONTWQIDNZ-JTQLQIEISA-N -1 0 331.393 3.566 20 0 EHADRM C[C@@H](OC(=O)c1cc(-c2ccccc2)ccn1)c1cc(C(=O)[O-])co1 ZINC001593552658 995630908 /nfs/dbraw/zinc/63/09/08/995630908.db2.gz DZPILIJHRPDEOP-GFCCVEGCSA-N -1 0 337.331 3.958 20 0 EHADRM C[C@@H](c1nc2ccccc2s1)[C@H](C)OC(=O)c1cc(C(=O)[O-])co1 ZINC001593556807 995646978 /nfs/dbraw/zinc/64/69/78/995646978.db2.gz YBGRFDVMVQZMRC-ZJUUUORDSA-N -1 0 345.376 3.937 20 0 EHADRM CC(C)c1nc(NC(=O)[C@@H](C)OC2CCCCC2)sc1C(=O)[O-] ZINC001593602273 995762085 /nfs/dbraw/zinc/76/20/85/995762085.db2.gz AVUFMSGDDYVGEN-SNVBAGLBSA-N -1 0 340.445 3.641 20 0 EHADRM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)OCc1occc1C(=O)[O-] ZINC001593612553 995816198 /nfs/dbraw/zinc/81/61/98/995816198.db2.gz VHDWFCCBDPUIRT-LBPRGKRZSA-N -1 0 346.379 3.786 20 0 EHADRM C[C@@H](Oc1ccc(NC(=O)C2(C)C(C)(C)C2(C)C)cc1F)C(=O)[O-] ZINC001593624238 995885412 /nfs/dbraw/zinc/88/54/12/995885412.db2.gz ILBZLWPHSAPELW-SNVBAGLBSA-N -1 0 337.391 3.688 20 0 EHADRM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N([C@H](C)C(=O)[O-])C1CCC1 ZINC001593635079 995930755 /nfs/dbraw/zinc/93/07/55/995930755.db2.gz LSIVNLYHSXWVBJ-ZIAGYGMSSA-N -1 0 347.455 3.606 20 0 EHADRM C[C@H](Oc1ccccc1)c1noc(-c2ccc(C(=O)[O-])c(F)c2)n1 ZINC001593641579 995952687 /nfs/dbraw/zinc/95/26/87/995952687.db2.gz SBRBKDKKDUQCOI-JTQLQIEISA-N -1 0 328.299 3.714 20 0 EHADRM C[C@H](Oc1ccccc1F)c1nnc(C23CCC(C(=O)[O-])(CC2)C3)o1 ZINC001593651104 996010135 /nfs/dbraw/zinc/01/01/35/996010135.db2.gz HQTBKRFZJZCPRN-NVWNAPEYSA-N -1 0 346.358 3.635 20 0 EHADRM C[C@@H](Oc1ccccc1Cl)C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC001593651901 996014789 /nfs/dbraw/zinc/01/47/89/996014789.db2.gz SFKUNIDAYLWXHP-NXEZZACHSA-N -1 0 338.743 3.703 20 0 EHADRM C[C@@H](Sc1ncccc1C(=O)[O-])c1nnc(-c2cccs2)o1 ZINC001593678148 996090225 /nfs/dbraw/zinc/09/02/25/996090225.db2.gz DJTREKKYOLUOOE-MRVPVSSYSA-N -1 0 333.394 3.745 20 0 EHADRM C[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001593697223 996155174 /nfs/dbraw/zinc/15/51/74/996155174.db2.gz HGUZSGULUUSSNJ-SNVBAGLBSA-N -1 0 334.322 3.888 20 0 EHADRM C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001593706254 996195476 /nfs/dbraw/zinc/19/54/76/996195476.db2.gz OPGDGXRSFSWDGN-UGSOOPFHSA-N -1 0 341.382 3.932 20 0 EHADRM C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001593707774 996203288 /nfs/dbraw/zinc/20/32/88/996203288.db2.gz ZTGUIJZTHLBBAB-SUMWQHHRSA-N -1 0 339.395 3.580 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C)C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001593713382 996220482 /nfs/dbraw/zinc/22/04/82/996220482.db2.gz MYEOKSDKOVAIGF-WSKFYRRCSA-N -1 0 333.771 3.864 20 0 EHADRM C[C@H](c1ccccc1)n1ccc(Nc2ncc(C(=O)[O-])cc2Cl)n1 ZINC001593713852 996225540 /nfs/dbraw/zinc/22/55/40/996225540.db2.gz OJFNULCOHLVMMS-LLVKDONJSA-N -1 0 342.786 3.983 20 0 EHADRM C[C@H](c1nc(C(=O)[O-])co1)N(C)Cc1cccc(C(F)(F)F)c1 ZINC001593724436 996265918 /nfs/dbraw/zinc/26/59/18/996265918.db2.gz GUSAMBQQOPPAOB-SECBINFHSA-N -1 0 328.290 3.585 20 0 EHADRM C[C@@H](c1cccs1)c1noc(CCc2ccccc2C(=O)[O-])n1 ZINC001593739723 996354342 /nfs/dbraw/zinc/35/43/42/996354342.db2.gz KMABZVDCSXSNKR-NSHDSACASA-N -1 0 328.393 3.766 20 0 EHADRM C[C@@]1(C(=O)Nc2cc(Br)c(F)c(C(=O)[O-])c2)C=CCC1 ZINC001593758509 996412698 /nfs/dbraw/zinc/41/26/98/996412698.db2.gz OOGGBYUXBRFSFY-CQSZACIVSA-N -1 0 342.164 3.581 20 0 EHADRM C[C@@]1(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CCCc2ccccc21 ZINC001593759934 996417647 /nfs/dbraw/zinc/41/76/47/996417647.db2.gz OLWVLMRPDSDHHE-LJQANCHMSA-N -1 0 345.345 3.896 20 0 EHADRM C[C@]1(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CCc2ccccc2C1 ZINC001593760109 996417789 /nfs/dbraw/zinc/41/77/89/996417789.db2.gz PDCOIEVSUPEDDO-FQEVSTJZSA-N -1 0 341.382 3.587 20 0 EHADRM C[C@@]1(C(=O)Nc2ccc(Oc3ccnc(C(=O)[O-])c3)cc2)CC1(F)F ZINC001593760153 996418276 /nfs/dbraw/zinc/41/82/76/996418276.db2.gz RMGVPABFSHDDBE-INIZCTEOSA-N -1 0 348.305 3.556 20 0 EHADRM C[C@@]1(C(=O)Nc2ncc(C(=O)[O-])cc2Cl)CCCc2ccccc21 ZINC001593762177 996427868 /nfs/dbraw/zinc/42/78/68/996427868.db2.gz HOZYWJNOWQTEFH-GOSISDBHSA-N -1 0 344.798 3.666 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)N[C@H](CC2CCC2)c2ccccc2)C1 ZINC001593767449 996449628 /nfs/dbraw/zinc/44/96/28/996449628.db2.gz BKXFLIABDPSAGR-XLIONFOSSA-N -1 0 344.455 3.814 20 0 EHADRM Cc1cccc(F)c1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000180743394 1016034619 /nfs/dbraw/zinc/03/46/19/1016034619.db2.gz RMPFRIKFGVSOLX-UHFFFAOYSA-N -1 0 333.306 3.954 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(-c3cccc(F)c3)s2)C1 ZINC001593772968 996469867 /nfs/dbraw/zinc/46/98/67/996469867.db2.gz OWMOJWJXJWMIQE-GOSISDBHSA-N -1 0 347.411 3.881 20 0 EHADRM CC1(C(=O)[O-])CN(C(=O)/C=C/c2ccc(-c3ccc(F)cc3)s2)C1 ZINC001593801409 996523336 /nfs/dbraw/zinc/52/33/36/996523336.db2.gz BEBSLWXKAUVQLL-VQHVLOKHSA-N -1 0 345.395 3.501 20 0 EHADRM CC1(C)C(C)(C)C1(C)NC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001593831295 996575587 /nfs/dbraw/zinc/57/55/87/996575587.db2.gz UMWNTJBFYBOVON-UHFFFAOYSA-N -1 0 329.400 3.812 20 0 EHADRM COC(=O)CCC[C@@H]1CCC[C@@H](Nc2ccc(C(=O)[O-])cc2OC)C1 ZINC001598850733 996601600 /nfs/dbraw/zinc/60/16/00/996601600.db2.gz GVASUPRFPKHEOJ-DZGCQCFKSA-N -1 0 349.427 3.707 20 0 EHADRM CC1(C)C[C@@H](c2ccccc2)CN1C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001593863085 996662274 /nfs/dbraw/zinc/66/22/74/996662274.db2.gz CBPBBLXFRRFFIK-SLZMIMFISA-N -1 0 339.391 3.786 20 0 EHADRM CC1(C)C[C@H](c2ccccc2)CN1C(=O)Cc1ccccc1C(=O)[O-] ZINC001593863574 996663273 /nfs/dbraw/zinc/66/32/73/996663273.db2.gz JOQAHZDJCCCSMX-KRWDZBQOSA-N -1 0 337.419 3.722 20 0 EHADRM CC1(C)C[C@@H](c2ccccc2)CN1C(=O)Cc1cccc(C(=O)[O-])c1 ZINC001593863576 996663539 /nfs/dbraw/zinc/66/35/39/996663539.db2.gz JPPIOJYPDMSWSX-GOSISDBHSA-N -1 0 337.419 3.722 20 0 EHADRM CC1(C)CCC(CC(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])CC1 ZINC001593873974 996686484 /nfs/dbraw/zinc/68/64/84/996686484.db2.gz HPJOEIXVZLVDCN-GOSISDBHSA-N -1 0 329.440 3.804 20 0 EHADRM CC1(C)CC[C@@H](C(=O)Nc2cc(C(=O)[O-])cc(Cl)c2Cl)O1 ZINC001593874023 996686770 /nfs/dbraw/zinc/68/67/70/996686770.db2.gz DIYTZZMJPYQOLA-JTQLQIEISA-N -1 0 332.183 3.588 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)Nc2cccc(C(=O)[O-])n2)c2ccccc21 ZINC001593882487 996713726 /nfs/dbraw/zinc/71/37/26/996713726.db2.gz UPBZPPCHGCOWJK-CQSZACIVSA-N -1 0 339.395 3.714 20 0 EHADRM CC1(C)CC[C@@H]1C(=O)N[C@@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC001593883796 996718621 /nfs/dbraw/zinc/71/86/21/996718621.db2.gz UOGKQGQFAMPEDJ-UAGQMJEPSA-N -1 0 329.440 3.502 20 0 EHADRM CC1(C)CCC[C@](NC(=O)C/C=C/Cc2ccccc2)(C(=O)[O-])C1 ZINC001593892482 996740950 /nfs/dbraw/zinc/74/09/50/996740950.db2.gz RTXJIMGFDJPITN-ROUKRRSUSA-N -1 0 329.440 3.715 20 0 EHADRM CC1(C)CCC[C@H](c2cccc(NC(=O)NCCOCC(=O)[O-])c2)C1 ZINC001593896838 996755586 /nfs/dbraw/zinc/75/55/86/996755586.db2.gz CVHCPXGKQWAOMG-HNNXBMFYSA-N -1 0 348.443 3.593 20 0 EHADRM COC(=O)N(C)c1ccc(NCc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC001598876480 996766243 /nfs/dbraw/zinc/76/62/43/996766243.db2.gz WINZYNUNQZXZIQ-UHFFFAOYSA-N -1 0 348.786 3.853 20 0 EHADRM CC1(C)CCCC[C@@H]1CC(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001593904575 996782419 /nfs/dbraw/zinc/78/24/19/996782419.db2.gz HFXGIYBUNKNCPK-GDBMZVCRSA-N -1 0 335.419 3.717 20 0 EHADRM CC1(C)CCCC[C@@H]1C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001593905088 996785339 /nfs/dbraw/zinc/78/53/39/996785339.db2.gz OUUHLUCELPBLKQ-BRWVUGGUSA-N -1 0 329.440 3.530 20 0 EHADRM COc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(C)c2)c(Cl)c1 ZINC001599484156 996817002 /nfs/dbraw/zinc/81/70/02/996817002.db2.gz WSNFOVNTROGJPD-MRXNPFEDSA-N -1 0 347.798 3.603 20 0 EHADRM COCc1c(Cl)cccc1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001599279546 996871055 /nfs/dbraw/zinc/87/10/55/996871055.db2.gz YWDAXJGVXBWYKG-UHFFFAOYSA-N -1 0 348.786 3.506 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccc(C(=O)[O-])cc2)Cc2ccccc2O1 ZINC001593933923 996894890 /nfs/dbraw/zinc/89/48/90/996894890.db2.gz CUDVEFTYTZDORF-UHFFFAOYSA-N -1 0 340.379 3.590 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cc(F)ccc2Cl)c1F ZINC001599490359 996927582 /nfs/dbraw/zinc/92/75/82/996927582.db2.gz ZJUTXESCWJOKBJ-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM COCc1cc(NC(=O)N[C@@H]2CCC(C)(C)C[C@@H]2C)cc(C(=O)[O-])c1 ZINC001599286865 996995119 /nfs/dbraw/zinc/99/51/19/996995119.db2.gz AEWYXXWVADJIJD-BLLLJJGKSA-N -1 0 348.443 3.868 20 0 EHADRM COc1cc([C@H](C)NC(=O)c2ccc(C(=O)[O-])o2)cc2ccccc21 ZINC001599389246 997002735 /nfs/dbraw/zinc/00/27/35/997002735.db2.gz MMFHAMUAGTXAKM-NSHDSACASA-N -1 0 339.347 3.631 20 0 EHADRM CC1(C)CO[C@H](CCC(=O)N(c2ccccc2C(=O)[O-])C2CCC2)C1 ZINC001593952656 997023445 /nfs/dbraw/zinc/02/34/45/997023445.db2.gz GOPAOFDLLBDQMW-OAHLLOKOSA-N -1 0 345.439 3.866 20 0 EHADRM CO[C@@]1(C)CCCN(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])CC1 ZINC001599087493 997126220 /nfs/dbraw/zinc/12/62/20/997126220.db2.gz JLOGRZWNPXDXJG-IBGZPJMESA-N -1 0 348.443 3.931 20 0 EHADRM CC1(C)Cc2nc(CN3C4CCC3(C(=O)[O-])CC4)sc2C(C)(C)C1 ZINC001593969091 997127754 /nfs/dbraw/zinc/12/77/54/997127754.db2.gz XOHZLPLYKGROIG-UHFFFAOYSA-N -1 0 348.512 3.975 20 0 EHADRM COC1(CCS[C@@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)CCC1 ZINC001599088000 997134860 /nfs/dbraw/zinc/13/48/60/997134860.db2.gz DSTGPDIRUJWHEB-LBPRGKRZSA-N -1 0 339.457 3.593 20 0 EHADRM COc1cc(C=CC(=O)[O-])ccc1OCC(=O)c1cc(C)ccc1C ZINC001599398075 997164697 /nfs/dbraw/zinc/16/46/97/997164697.db2.gz DAJCOQCTLJDZDS-VQHVLOKHSA-N -1 0 340.375 3.672 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1Oc1nc(CC(C)C)ns1 ZINC001599399920 997195910 /nfs/dbraw/zinc/19/59/10/997195910.db2.gz KLNNISZCLQBTPT-ALCCZGGFSA-N -1 0 334.397 3.635 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC[C@@H]1CC2(CO1)CCCCC2 ZINC001599400725 997209895 /nfs/dbraw/zinc/20/98/95/997209895.db2.gz RNIQOPUYTWAZPK-IOBAAEILSA-N -1 0 346.423 3.911 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)NC2(CCC(=O)[O-])CCCCC2)cc1 ZINC001599506579 997220440 /nfs/dbraw/zinc/22/04/40/997220440.db2.gz IYFJFIUJHRACOR-HNNXBMFYSA-N -1 0 347.455 3.873 20 0 EHADRM COCc1nc(NC(=O)CC[C@@H](C)c2ccccc2)sc1C(=O)[O-] ZINC001599302557 997257763 /nfs/dbraw/zinc/25/77/63/997257763.db2.gz BJQMUZAGWAHDQP-LLVKDONJSA-N -1 0 348.424 3.510 20 0 EHADRM COC1CC(Nc2cc(C(=O)[O-])ccc2OCc2ccccc2)C1 ZINC001599097365 997308394 /nfs/dbraw/zinc/30/83/94/997308394.db2.gz PBYRVGFTWSJLLB-UHFFFAOYSA-N -1 0 327.380 3.553 20 0 EHADRM COC[C@@H]1CCCCN1C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001599203606 997363199 /nfs/dbraw/zinc/36/31/99/997363199.db2.gz TZVIMMBZFSVWDU-HNNXBMFYSA-N -1 0 342.395 3.571 20 0 EHADRM CON(C(=O)c1ccc(C(=O)[O-])cc1F)[C@@H](C)c1ccccc1C ZINC001599310647 997409729 /nfs/dbraw/zinc/40/97/29/997409729.db2.gz FFCVJLGFKYLDQY-LBPRGKRZSA-N -1 0 331.343 3.597 20 0 EHADRM C[C@@]1(CCNC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C[C@]1(F)Cl ZINC001594007128 997421168 /nfs/dbraw/zinc/42/11/68/997421168.db2.gz HMNKCXRBGLYQBW-ZIAGYGMSSA-N -1 0 349.189 3.864 20 0 EHADRM CON(C(=O)c1cc2sc3ccccc3c2s1)[C@H](C)CC(=O)[O-] ZINC001599313285 997454242 /nfs/dbraw/zinc/45/42/42/997454242.db2.gz ZGUJKRCTSFSXAU-SECBINFHSA-N -1 0 349.433 3.983 20 0 EHADRM CC1(CNC(=O)NCCc2ccc(C(=O)[O-])cc2)CCCCCC1 ZINC001594019887 997522447 /nfs/dbraw/zinc/52/24/47/997522447.db2.gz MOHKWCYVUMQFLB-UHFFFAOYSA-N -1 0 332.444 3.587 20 0 EHADRM COc1cc(Cl)c(Cl)cc1N[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@H]12 ZINC001599419348 997566723 /nfs/dbraw/zinc/56/67/23/997566723.db2.gz FDGIXZOOPJDIOF-KIKITERTSA-N -1 0 330.211 3.913 20 0 EHADRM COc1cc(Cl)cc(C(=O)N[C@H](CC(=O)[O-])c2cccc(C)c2)c1 ZINC001599419993 997577127 /nfs/dbraw/zinc/57/71/27/997577127.db2.gz TUAYCJHZCHRKCT-MRXNPFEDSA-N -1 0 347.798 3.603 20 0 EHADRM CO[C@H]1CCCN(C(=O)Nc2cccc3cc(C(=O)[O-])sc32)CC1 ZINC001599114195 997623188 /nfs/dbraw/zinc/62/31/88/997623188.db2.gz CTWCPKVODDMCEN-LBPRGKRZSA-N -1 0 348.424 3.632 20 0 EHADRM COCCC1(C(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)CCCC1 ZINC001599218878 997630961 /nfs/dbraw/zinc/63/09/61/997630961.db2.gz QQNYUZXSYGLRLZ-UHFFFAOYSA-N -1 0 326.776 3.541 20 0 EHADRM CO[C@H]1CCCC[C@H]1C(=O)Oc1cccc2c(CC(=O)[O-])cccc12 ZINC001599115345 997642942 /nfs/dbraw/zinc/64/29/42/997642942.db2.gz MSVOVCHZMFOCNZ-SJORKVTESA-N -1 0 342.391 3.578 20 0 EHADRM C[C@@]1(Cc2cccc3ccccc32)CCCN1c1cncc(C(=O)[O-])n1 ZINC001594041176 997656945 /nfs/dbraw/zinc/65/69/45/997656945.db2.gz BLMSAHDPMPCQBT-NRFANRHFSA-N -1 0 347.418 3.930 20 0 EHADRM COc1ccc([C@@H](NCc2ccc(C)cc2Cl)C(=O)[O-])c(OC)c1 ZINC001599531666 997665749 /nfs/dbraw/zinc/66/57/49/997665749.db2.gz KUJOXNJYAXPTHA-QGZVFWFLSA-N -1 0 349.814 3.581 20 0 EHADRM CO[C@H]1CCN(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)[C@@H](C)C1 ZINC001599118028 997688408 /nfs/dbraw/zinc/68/84/08/997688408.db2.gz SPOBALHHBYBWBD-GWCFXTLKSA-N -1 0 348.424 3.631 20 0 EHADRM COc1ccc([C@H](OC(=O)CC(C)(C)CC(=O)[O-])C2CC2)c(C)c1 ZINC001599533766 997706702 /nfs/dbraw/zinc/70/67/02/997706702.db2.gz IOSUWAJTJBLRNE-GOSISDBHSA-N -1 0 334.412 3.889 20 0 EHADRM COCCCC[C@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccccc1 ZINC001599223337 997711828 /nfs/dbraw/zinc/71/18/28/997711828.db2.gz JVKDDOJCZUEJBY-BZSNNMDCSA-N -1 0 347.455 3.552 20 0 EHADRM C[C@]1(NC(=O)[C@@H]2CCC[C@@H]2Cc2ccccc2)CCCC[C@H]1C(=O)[O-] ZINC001594053038 997765328 /nfs/dbraw/zinc/76/53/28/997765328.db2.gz RXMQURSUVJLPBR-WIRSXHRWSA-N -1 0 343.467 3.795 20 0 EHADRM COc1ccc(C2CC2)c(NC(=O)c2ccc(/C=C\C(=O)[O-])o2)c1 ZINC001599537467 997770081 /nfs/dbraw/zinc/77/00/81/997770081.db2.gz NRYOBQLGKRPQCR-TWGQIWQCSA-N -1 0 327.336 3.516 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccccc2)n(-c2ccc(Cl)cc2)n1 ZINC000340036431 1016154241 /nfs/dbraw/zinc/15/42/41/1016154241.db2.gz LEIXHNFULIJJAL-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM CC1(NC(=O)Nc2ccc(Cl)cc2SCCC(=O)[O-])CCC1 ZINC001594057972 997814818 /nfs/dbraw/zinc/81/48/18/997814818.db2.gz SQLNKHCLVBJGHL-UHFFFAOYSA-N -1 0 342.848 3.971 20 0 EHADRM COc1c(NC(=O)CCc2cccc(Cl)c2)cccc1C(=O)[O-] ZINC001599336952 997853064 /nfs/dbraw/zinc/85/30/64/997853064.db2.gz BALJLZVDMODZML-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM CCOc1ccc([C@H](C)NC(=O)c2ccc([O-])c(Cl)c2)cc1OC ZINC000047545495 1016161830 /nfs/dbraw/zinc/16/18/30/1016161830.db2.gz ZUFCDVHIYGEBBV-NSHDSACASA-N -1 0 349.814 3.944 20 0 EHADRM COc1cc(NC(=O)N[C@H]2CCC[C@H]2C(C)(C)C)ccc1C(=O)[O-] ZINC001599438091 997884931 /nfs/dbraw/zinc/88/49/31/997884931.db2.gz KBSXRCIQCCADRB-KGLIPLIRSA-N -1 0 334.416 3.730 20 0 EHADRM COc1c(NC(=O)Cc2cccc(C(F)F)c2)cccc1C(=O)[O-] ZINC001599338899 997886861 /nfs/dbraw/zinc/88/68/61/997886861.db2.gz ZTMPFUCKAZVDAK-UHFFFAOYSA-N -1 0 335.306 3.512 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])c2)cs1 ZINC000013467660 1016164082 /nfs/dbraw/zinc/16/40/82/1016164082.db2.gz WGBXXIFLAXSGOQ-CABCVRRESA-N -1 0 342.420 3.724 20 0 EHADRM COc1ccc(C=CC(=O)[O-])cc1OCC(=O)c1cc(C)sc1C ZINC001599543842 997889672 /nfs/dbraw/zinc/88/96/72/997889672.db2.gz DYAWGEDSQLEMOB-FNORWQNLSA-N -1 0 346.404 3.733 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)C(C1CCC1)C1CCC1 ZINC001599544461 997900415 /nfs/dbraw/zinc/90/04/15/997900415.db2.gz SHTYTNVPRLFVEQ-PKNBQFBNSA-N -1 0 344.407 3.915 20 0 EHADRM COc1ccc(/C=C\C(=O)Oc2ccc(C(=O)[O-])cc2Cl)cc1 ZINC001599544804 997905930 /nfs/dbraw/zinc/90/59/30/997905930.db2.gz ZGXWFFQNNBLVKD-WTKPLQERSA-N -1 0 332.739 3.666 20 0 EHADRM COC(=O)c1cc(F)ccc1COc1ccc(C(=O)[O-])c(Cl)c1 ZINC001598938286 997912666 /nfs/dbraw/zinc/91/26/66/997912666.db2.gz ZTDHCQZSIVUQEC-UHFFFAOYSA-N -1 0 338.718 3.543 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)c1ccc2ncccc2c1 ZINC001599545743 997919978 /nfs/dbraw/zinc/91/99/78/997919978.db2.gz QACUUECCGUQPFB-UITAMQMPSA-N -1 0 349.342 3.560 20 0 EHADRM COc1cc(NC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)cc2ccccc21 ZINC001599441198 997931538 /nfs/dbraw/zinc/93/15/38/997931538.db2.gz UGQOSZTUKQCDFE-UHFFFAOYSA-N -1 0 338.363 3.744 20 0 EHADRM COc1ccc(CC(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)cc1 ZINC001599548756 997970418 /nfs/dbraw/zinc/97/04/18/997970418.db2.gz QHSLHFAFOOWBMV-UHFFFAOYSA-N -1 0 335.359 3.728 20 0 EHADRM COc1ccc(CC(=O)Nc2ccc(SC)c(C(=O)[O-])c2)c(C)c1 ZINC001599548994 997972181 /nfs/dbraw/zinc/97/21/81/997972181.db2.gz YWFRJXCGAWRHDK-UHFFFAOYSA-N -1 0 345.420 3.605 20 0 EHADRM COc1cc(N[C@H](C)[C@@H]2C[C@@H]2C(=O)[O-])c(Cl)cc1Br ZINC001599443690 997973081 /nfs/dbraw/zinc/97/30/81/997973081.db2.gz XMAJALIDEJFVKV-CSMHCCOUSA-N -1 0 348.624 3.632 20 0 EHADRM COc1c(NC[C@@H]2CCCC[C@H]2c2ccccc2)ncnc1C(=O)[O-] ZINC001599344611 997980937 /nfs/dbraw/zinc/98/09/37/997980937.db2.gz LJOGAGKYZUBVHO-GJZGRUSLSA-N -1 0 341.411 3.569 20 0 EHADRM COc1cc(OC(=O)C[C@H]2CCCc3ccccc32)ccc1C(=O)[O-] ZINC001599445127 997996013 /nfs/dbraw/zinc/99/60/13/997996013.db2.gz BKJPBJLFXLEJJR-CQSZACIVSA-N -1 0 340.375 3.809 20 0 EHADRM COc1cc(OC(=O)C(C)(C)c2ccccc2C)ccc1C(=O)[O-] ZINC001599445189 997997203 /nfs/dbraw/zinc/99/72/03/997997203.db2.gz AFLULIACDNRQQP-UHFFFAOYSA-N -1 0 328.364 3.585 20 0 EHADRM COc1cc(OC(=O)CCCSC(C)(C)C)ccc1C(=O)[O-] ZINC001599445877 998008298 /nfs/dbraw/zinc/00/82/98/998008298.db2.gz OBSQRHAIVGIBCJ-UHFFFAOYSA-N -1 0 326.414 3.611 20 0 EHADRM COc1cc(OC(=O)C2CCC(C(F)(F)F)CC2)ccc1C(=O)[O-] ZINC001599446298 998014943 /nfs/dbraw/zinc/01/49/43/998014943.db2.gz RKOZMYKXZOOZFM-UHFFFAOYSA-N -1 0 346.301 3.668 20 0 EHADRM COc1cc(OC(=O)c2c(F)ccc(F)c2Cl)ccc1C(=O)[O-] ZINC001599447147 998027397 /nfs/dbraw/zinc/02/73/97/998027397.db2.gz FPKZSSOHTNBKNS-UHFFFAOYSA-N -1 0 342.681 3.544 20 0 EHADRM COc1ccc(CCC(=O)Nc2ccc(SC)c(C(=O)[O-])c2)cc1 ZINC001599552458 998031865 /nfs/dbraw/zinc/03/18/65/998031865.db2.gz JBBKCFULJVULQB-UHFFFAOYSA-N -1 0 345.420 3.687 20 0 EHADRM COc1ccc(CCC(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)cc1 ZINC001599552959 998040694 /nfs/dbraw/zinc/04/06/94/998040694.db2.gz ROLIQWTZLQCQDT-UHFFFAOYSA-N -1 0 342.391 3.596 20 0 EHADRM C[C@H]1CCCC[C@H]1N(C)C(=O)c1cccc(Br)c1[O-] ZINC000536692396 1032142375 /nfs/dbraw/zinc/14/23/75/1032142375.db2.gz FGSLBKUTCXHLHQ-GXFFZTMASA-N -1 0 326.234 3.805 20 0 EHADRM COc1cc(C(=O)Nc2sc(C)cc2C(=O)[O-])c2ccccc2n1 ZINC001599356278 998184875 /nfs/dbraw/zinc/18/48/75/998184875.db2.gz FBEFBGDDYSAUKZ-UHFFFAOYSA-N -1 0 342.376 3.564 20 0 EHADRM CC1=C(C)C[C@@H](C(=O)N[C@@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])CC1 ZINC001594110255 998206898 /nfs/dbraw/zinc/20/68/98/998206898.db2.gz SGWUVWRZOJKWMK-KXBFYZLASA-N -1 0 349.858 3.979 20 0 EHADRM CC1=C(C)C[C@H](C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)CC1 ZINC001594110341 998208189 /nfs/dbraw/zinc/20/81/89/998208189.db2.gz UJVVIEQMKWUTMO-DOMZBBRYSA-N -1 0 339.794 3.858 20 0 EHADRM COc1cc(C(=O)[O-])cc(NCc2ccc(C)cc2Cl)c1OC ZINC001599362145 998277533 /nfs/dbraw/zinc/27/75/33/998277533.db2.gz BSXINKARKQMSIR-UHFFFAOYSA-N -1 0 335.787 3.976 20 0 EHADRM C[C@@H]1C(=O)CC[C@H](c2nc(-c3ccc(C(=O)[O-])cc3)no2)C1(C)C ZINC001594123322 998292363 /nfs/dbraw/zinc/29/23/63/998292363.db2.gz YNXWGHZBQYSKMQ-ZWNOBZJWSA-N -1 0 328.368 3.544 20 0 EHADRM C[C@H]1C(=O)CC[C@H](c2nc(-c3ccc(C(=O)[O-])cc3)no2)C1(C)C ZINC001594123320 998293035 /nfs/dbraw/zinc/29/30/35/998293035.db2.gz YNXWGHZBQYSKMQ-GXFFZTMASA-N -1 0 328.368 3.544 20 0 EHADRM COc1cc2c(cc1Cl)CN([C@H](C(=O)[O-])c1ccc(F)cc1)CC2 ZINC001599463621 998317938 /nfs/dbraw/zinc/31/79/38/998317938.db2.gz QHOYYTCZLDVHOI-KRWDZBQOSA-N -1 0 349.789 3.672 20 0 EHADRM COc1ccc(CNC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c(C)c1 ZINC001599570221 998352266 /nfs/dbraw/zinc/35/22/66/998352266.db2.gz WTQDKWAVUDWMGT-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM COc1ccc(CNC(=O)c2ccccc2CC(C)C)cc1C(=O)[O-] ZINC001599570653 998359044 /nfs/dbraw/zinc/35/90/44/998359044.db2.gz HQLQFXZOGPSWPT-UHFFFAOYSA-N -1 0 341.407 3.522 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)/C=C(\C)c1ccc(F)cc1 ZINC001599369429 998386802 /nfs/dbraw/zinc/38/68/02/998386802.db2.gz HZURLAHEKCAJHD-PKNBQFBNSA-N -1 0 329.327 3.575 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)/C=C(/C)c1ccc(F)cc1 ZINC001599369428 998387083 /nfs/dbraw/zinc/38/70/83/998387083.db2.gz HZURLAHEKCAJHD-LUAWRHEFSA-N -1 0 329.327 3.575 20 0 EHADRM C[C@@H]1[C@@H](C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)[C@H]1c1ccccc1 ZINC001594137897 998397258 /nfs/dbraw/zinc/39/72/58/998397258.db2.gz YVLMLXFHRQACBU-JBBXEZCESA-N -1 0 346.386 3.921 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N1CCCCc2ccccc21 ZINC001599370898 998407533 /nfs/dbraw/zinc/40/75/33/998407533.db2.gz JEKSDWDNLWGPSW-UHFFFAOYSA-N -1 0 340.379 3.768 20 0 EHADRM COc1ccc(CNc2ccnc3c(F)cccc23)cc1C(=O)[O-] ZINC001599574803 998425352 /nfs/dbraw/zinc/42/53/52/998425352.db2.gz QCEJCWJEWXALPO-UHFFFAOYSA-N -1 0 326.327 3.693 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1CCc2ccc(C)cc21 ZINC001599372336 998430689 /nfs/dbraw/zinc/43/06/89/998430689.db2.gz FVTCTSNMFVBPRI-OAHLLOKOSA-N -1 0 340.379 3.511 20 0 EHADRM COCCSc1ccc([C@@H](C)Nc2cc(C(=O)[O-])ccn2)cc1 ZINC001599266687 998480767 /nfs/dbraw/zinc/48/07/67/998480767.db2.gz WVTFTTPFWJVEOR-GFCCVEGCSA-N -1 0 332.425 3.691 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)C1(c2ccccc2C)CCC1 ZINC001599377623 998513675 /nfs/dbraw/zinc/51/36/75/998513675.db2.gz HHXJKCBJULCUIT-UHFFFAOYSA-N -1 0 340.375 3.729 20 0 EHADRM COC[C@H](CNc1nc(C(=O)[O-])c(C)s1)c1ccc(Cl)cc1 ZINC001599164811 998522813 /nfs/dbraw/zinc/52/28/13/998522813.db2.gz CEKCCBNAMIPASH-NSHDSACASA-N -1 0 340.832 3.645 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)c1cc2c(cccc2C)o1 ZINC001599378650 998531484 /nfs/dbraw/zinc/53/14/84/998531484.db2.gz CYBUVBHSYAJBTK-UHFFFAOYSA-N -1 0 326.304 3.667 20 0 EHADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC001594157421 998576441 /nfs/dbraw/zinc/57/64/41/998576441.db2.gz TVCUTENLYUXLJZ-GZMMTYOYSA-N -1 0 348.346 3.625 20 0 EHADRM COC(=O)c1ccc(CSCc2ccccc2C(=O)[O-])cc1F ZINC001598975884 998599599 /nfs/dbraw/zinc/59/95/99/998599599.db2.gz NBKUKMNUPRTRLS-UHFFFAOYSA-N -1 0 334.368 3.744 20 0 EHADRM COC(=O)c1ccc(Cl)cc1SCc1occc1C(=O)[O-] ZINC001598976636 998606332 /nfs/dbraw/zinc/60/63/32/998606332.db2.gz AYYQWYBCHWXIOK-UHFFFAOYSA-N -1 0 326.757 3.710 20 0 EHADRM C[C@@H]1[C@@H](C(=O)Oc2ccc(C(=O)[O-])cc2Cl)[C@@H]1c1ccccc1 ZINC001594174718 998670085 /nfs/dbraw/zinc/67/00/85/998670085.db2.gz TUOZEFKWDVCHRN-CIISACIHSA-N -1 0 330.767 3.993 20 0 EHADRM CSCc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC000340089965 1016249334 /nfs/dbraw/zinc/24/93/34/1016249334.db2.gz GNTMEYHISYZMJW-UHFFFAOYSA-N -1 0 329.393 3.629 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1C(=O)CCc1ccc(Cl)c(F)c1 ZINC001594205399 998788553 /nfs/dbraw/zinc/78/85/53/998788553.db2.gz COYZUKMSBIDSDM-PTEHBNRSSA-N -1 0 341.810 3.512 20 0 EHADRM COC(=O)c1cccc(Cl)c1CSc1nc(C(=O)[O-])cs1 ZINC001598998720 998804543 /nfs/dbraw/zinc/80/45/43/998804543.db2.gz BAXTVODYBXFJFV-UHFFFAOYSA-N -1 0 343.813 3.574 20 0 EHADRM C[C@H]1CC(C)(C)N(C(=O)c2ccc(C(=O)[O-])n2C)c2ccccc21 ZINC001594217480 998837956 /nfs/dbraw/zinc/83/79/56/998837956.db2.gz STQPVRBQPKPOKL-LBPRGKRZSA-N -1 0 326.396 3.656 20 0 EHADRM C[C@@H]1CC(C)(C)c2ccccc2N1C(=O)c1csc(C(=O)[O-])n1 ZINC001594217649 998838368 /nfs/dbraw/zinc/83/83/68/998838368.db2.gz VZZPGCIUBYTHCS-SNVBAGLBSA-N -1 0 330.409 3.558 20 0 EHADRM COC(=O)c1cccnc1SCc1c(Cl)cccc1C(=O)[O-] ZINC001599005401 998850401 /nfs/dbraw/zinc/85/04/01/998850401.db2.gz XUAFPBXGORQTAD-UHFFFAOYSA-N -1 0 337.784 3.512 20 0 EHADRM C[C@H]1C[C@@H](CC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC(C)(C)C1 ZINC001594231486 998879794 /nfs/dbraw/zinc/87/97/94/998879794.db2.gz BUQQCLOAOIXRPW-RYUDHWBXSA-N -1 0 337.382 3.705 20 0 EHADRM C[C@@H]1C[C@@H](CCNC(=O)Nc2cccc(C(=O)[O-])n2)CC(C)(C)C1 ZINC001594232675 998887533 /nfs/dbraw/zinc/88/75/33/998887533.db2.gz PINHBFBZMNAHBD-CHWSQXEVSA-N -1 0 333.432 3.754 20 0 EHADRM COC(=O)c1sccc1CNc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001599024299 999004962 /nfs/dbraw/zinc/00/49/62/999004962.db2.gz ZWPRAUXETXKWAN-UHFFFAOYSA-N -1 0 333.409 3.509 20 0 EHADRM CO[C@@H](C(=O)[O-])c1ccccc1OCc1cc(F)cc2cccnc21 ZINC001599026591 999020319 /nfs/dbraw/zinc/02/03/19/999020319.db2.gz MVQGPQXROGZXPO-GOSISDBHSA-N -1 0 341.338 3.725 20 0 EHADRM CO[C@@H](C(=O)Nc1c(C(=O)[O-])ccc2ccccc21)c1ccccc1 ZINC001599026944 999023050 /nfs/dbraw/zinc/02/30/50/999023050.db2.gz NWHNTMOMPPGMQF-GOSISDBHSA-N -1 0 335.359 3.864 20 0 EHADRM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001594265535 999027829 /nfs/dbraw/zinc/02/78/29/999027829.db2.gz DUDILLUBYIPSNA-IAQYHMDHSA-N -1 0 343.358 3.534 20 0 EHADRM CC(C)c1cc(Br)ccc1NC(=O)C1CC(C(=O)[O-])C1 ZINC000683342591 1016273889 /nfs/dbraw/zinc/27/38/89/1016273889.db2.gz WMLQHEYUNMOLQF-UHFFFAOYSA-N -1 0 340.217 3.622 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001594269624 999042119 /nfs/dbraw/zinc/04/21/19/999042119.db2.gz LGOLUKCRUCGMHY-JSGCOSHPSA-N -1 0 344.436 3.534 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001594269625 999042220 /nfs/dbraw/zinc/04/22/20/999042220.db2.gz LGOLUKCRUCGMHY-OCCSQVGLSA-N -1 0 344.436 3.534 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001594270105 999043696 /nfs/dbraw/zinc/04/36/96/999043696.db2.gz QDIRXRHWWUWIET-SNUQEOBHSA-N -1 0 341.382 3.931 20 0 EHADRM CO[C@H](C(=O)Oc1ccc(C(=O)[O-])cc1Cl)C1CCCCC1 ZINC001599032385 999059373 /nfs/dbraw/zinc/05/93/73/999059373.db2.gz ZPPRDYVLBWQWRZ-AWEZNQCLSA-N -1 0 326.776 3.539 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCc3c2cccc3C(=O)[O-])o1 ZINC001594277220 999072454 /nfs/dbraw/zinc/07/24/54/999072454.db2.gz OAJFPFHUZBHYCS-MLGOLLRUSA-N -1 0 339.391 3.623 20 0 EHADRM C[C@@H]1CC=C(C(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)CC1 ZINC001594290751 999119476 /nfs/dbraw/zinc/11/94/76/999119476.db2.gz DSPMPENTMNPRLL-GFCCVEGCSA-N -1 0 337.366 3.515 20 0 EHADRM C[C@@H]1CC[C@](NC(=O)C2=CC[C@@H](C)CC2)(C(=O)[O-])c2ccccc21 ZINC001594290724 999119680 /nfs/dbraw/zinc/11/96/80/999119680.db2.gz DLUSCFTZRYTPPD-ARGWCVDVSA-N -1 0 327.424 3.726 20 0 EHADRM CO[C@H](C)c1nc(CNc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)cs1 ZINC001599042804 999129813 /nfs/dbraw/zinc/12/98/13/999129813.db2.gz QGEGHFQSIAKQQJ-WKPIXPDZSA-N -1 0 332.425 3.651 20 0 EHADRM CC1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001594293405 999132268 /nfs/dbraw/zinc/13/22/68/999132268.db2.gz UBBYVOHWWMMCIR-SFESLNEESA-N -1 0 330.428 3.844 20 0 EHADRM C[C@@H](NC(=O)C1(C)CCC(C)CC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001594296425 999142287 /nfs/dbraw/zinc/14/22/87/999142287.db2.gz SCJIEDPZTALOGG-RHELOZEPSA-N -1 0 331.456 3.651 20 0 EHADRM C[C@H]1CC[C@H](C(=O)Nc2ccc(Br)cc2C(=O)[O-])C1 ZINC001594297183 999146206 /nfs/dbraw/zinc/14/62/06/999146206.db2.gz SRJITWAJXFJMMV-IUCAKERBSA-N -1 0 326.190 3.522 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001594298319 999150843 /nfs/dbraw/zinc/15/08/43/999150843.db2.gz HEWXWAQEDSRZBO-QGDIRPMESA-N -1 0 333.428 3.816 20 0 EHADRM C[C@@H]1CC[C@H](CC(=O)N[C@H](C(=O)[O-])c2cccc3ccccc32)C1 ZINC001594302869 999171621 /nfs/dbraw/zinc/17/16/21/999171621.db2.gz RYYHQIQXLUPBSL-TYILLQQXSA-N -1 0 325.408 3.908 20 0 EHADRM C[C@H]1CC[C@H](CNC(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC001594308560 999191371 /nfs/dbraw/zinc/19/13/71/999191371.db2.gz MBTQTHKGQLYNSO-UWVGGRQHSA-N -1 0 342.342 3.544 20 0 EHADRM C[C@H]1CC[C@H](C(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)CC1 ZINC001594312711 999201222 /nfs/dbraw/zinc/20/12/22/999201222.db2.gz DXPDETUKCNKZOP-KZDUYQQSSA-N -1 0 329.440 3.806 20 0 EHADRM C[C@@H]1CC[C@](NC(=O)CCCC(F)(F)F)(C(=O)[O-])c2ccccc21 ZINC001594312865 999202168 /nfs/dbraw/zinc/20/21/68/999202168.db2.gz DXKKRJVWAVZBLO-BDJLRTHQSA-N -1 0 343.345 3.713 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)[C@@H]2C[C@H]2c2ccccc2)(C(=O)[O-])c2ccccc21 ZINC001594313108 999203697 /nfs/dbraw/zinc/20/36/97/999203697.db2.gz JHPYZNYFWSUFAC-FDFFUELDSA-N -1 0 349.430 3.784 20 0 EHADRM CO[C@H](CS[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C)CC(C)C ZINC001599058642 999249052 /nfs/dbraw/zinc/24/90/52/999249052.db2.gz JNXDFOXPXFREJE-OLZOCXBDSA-N -1 0 341.473 3.695 20 0 EHADRM Cc1cc(O)c(C(C)C)cc1NC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001594325519 999252269 /nfs/dbraw/zinc/25/22/69/999252269.db2.gz YLIGJZQRTCIJOW-UHFFFAOYSA-N -1 0 329.356 3.561 20 0 EHADRM C[C@@H]1CC[C@@H](Nc2cccc(CC(=O)[O-])c2)CN1C(=O)OC(C)(C)C ZINC001594327341 999258278 /nfs/dbraw/zinc/25/82/78/999258278.db2.gz WOOIZOKYRWPXEH-CZUORRHYSA-N -1 0 348.443 3.514 20 0 EHADRM C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC001594329734 999267156 /nfs/dbraw/zinc/26/71/56/999267156.db2.gz CJWPFEDSOGASIV-KXBFYZLASA-N -1 0 337.419 3.927 20 0 EHADRM C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C1 ZINC001594330584 999271304 /nfs/dbraw/zinc/27/13/04/999271304.db2.gz VPVCTRNOLHMSOP-DKIMLUQUSA-N -1 0 329.440 3.877 20 0 EHADRM COC1(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2Cl)CCCCC1 ZINC001599067953 999311141 /nfs/dbraw/zinc/31/11/41/999311141.db2.gz IPGVCHCPYWRZCI-UHFFFAOYSA-N -1 0 346.210 3.979 20 0 EHADRM C[C@@H]1CCC[C@H](NC(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)CC1 ZINC001594352211 999333055 /nfs/dbraw/zinc/33/30/55/999333055.db2.gz AACRNERBRFZVED-MNOVXSKESA-N -1 0 339.461 3.596 20 0 EHADRM C[C@H](NC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1)[C@H]1CCC[C@@H](C)C1 ZINC001594355148 999340686 /nfs/dbraw/zinc/34/06/86/999340686.db2.gz ISTHSWONMBHRFH-ARALAYPOSA-N -1 0 329.440 3.576 20 0 EHADRM C[C@H](NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-])[C@H]1CCC[C@H](C)C1 ZINC001594356316 999345597 /nfs/dbraw/zinc/34/55/97/999345597.db2.gz UOSWJWVVSZAZPB-IHRRRGAJSA-N -1 0 342.439 3.740 20 0 EHADRM C[C@@H]1CCC[C@@]1(C)C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001594357474 999351669 /nfs/dbraw/zinc/35/16/69/999351669.db2.gz MLZPGDNBGFRIAY-BMHLXIAXSA-N -1 0 349.858 3.793 20 0 EHADRM C[C@@H]1CCC[C@@H]1CC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001594360477 999363097 /nfs/dbraw/zinc/36/30/97/999363097.db2.gz VRRPGBYSGYWWNU-NXEZZACHSA-N -1 0 327.327 3.751 20 0 EHADRM C[C@H]1CCCC[C@@H]1CC(=O)Nc1cc(C(F)(F)F)cnc1C(=O)[O-] ZINC001594363268 999371204 /nfs/dbraw/zinc/37/12/04/999371204.db2.gz BUVONSKKXALCBF-VHSXEESVSA-N -1 0 344.333 3.954 20 0 EHADRM C[C@H]1CCCC[C@H]1CC(=O)Nc1cc(C(F)(F)F)cnc1C(=O)[O-] ZINC001594363267 999371277 /nfs/dbraw/zinc/37/12/77/999371277.db2.gz BUVONSKKXALCBF-UWVGGRQHSA-N -1 0 344.333 3.954 20 0 EHADRM C[C@H]1CCCC[C@@H]1CC(=O)Nc1cccnc1SCCC(=O)[O-] ZINC001594363453 999371693 /nfs/dbraw/zinc/37/16/93/999371693.db2.gz DICXRDXJEJICDV-QWHCGFSZSA-N -1 0 336.457 3.803 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CC(=O)N[C@@](C)(Cc1ccc(F)cc1)C(=O)[O-] ZINC001594364255 999376434 /nfs/dbraw/zinc/37/64/34/999376434.db2.gz XCMRBFLBGFZCKY-MUKKUYKPSA-N -1 0 335.419 3.544 20 0 EHADRM C[C@@H]1CCCC[C@H]1OCC(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1 ZINC001594370785 999397626 /nfs/dbraw/zinc/39/76/26/999397626.db2.gz LSDBTFOCHCGXGA-CZUORRHYSA-N -1 0 334.412 3.550 20 0 EHADRM C[C@H]1CCN(C(=O)/C=C/c2cc(C(=O)[O-])co2)c2ccccc2S1 ZINC001594396386 999493867 /nfs/dbraw/zinc/49/38/67/999493867.db2.gz LHKICSDRGKJAEC-SYTKJHMZSA-N -1 0 343.404 3.909 20 0 EHADRM C[C@@H]1CCN(C(=O)CSc2ccc3ccccc3c2)[C@@H](C(=O)[O-])C1 ZINC001594401108 999501683 /nfs/dbraw/zinc/50/16/83/999501683.db2.gz SRSMQVJHJXRULL-CXAGYDPISA-N -1 0 343.448 3.644 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)C[C@H]1C ZINC001594402783 999509668 /nfs/dbraw/zinc/50/96/68/999509668.db2.gz INRUMDKCMAXVSV-RKDXNWHRSA-N -1 0 328.771 3.687 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)[C@@H](C(=O)[O-])C1 ZINC001594410436 999531776 /nfs/dbraw/zinc/53/17/76/999531776.db2.gz PQGUGCNZQBXUTP-QPUJVOFHSA-N -1 0 349.736 3.684 20 0 EHADRM CCn1nc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)cc1C1CC1 ZINC000655570438 1016341483 /nfs/dbraw/zinc/34/14/83/1016341483.db2.gz DOAKAYCXXXMOJW-UHFFFAOYSA-N -1 0 339.848 3.543 20 0 EHADRM CCn1cc(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c2ccccc21 ZINC000655576821 1016395561 /nfs/dbraw/zinc/39/55/61/1016395561.db2.gz VILHAKQDRGPWEB-UHOFOFEASA-N -1 0 342.439 3.526 20 0 EHADRM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1nccc2sccc21 ZINC000430352441 1016437199 /nfs/dbraw/zinc/43/71/99/1016437199.db2.gz KRVWICGPLYATMD-UHFFFAOYSA-N -1 0 336.413 3.853 20 0 EHADRM Cn1ccc(/C=C(\CCCC(=O)[O-])c2nc3ccccc3s2)n1 ZINC000557279235 1016487251 /nfs/dbraw/zinc/48/72/51/1016487251.db2.gz BKPCSGWFTIEQRW-VAWYXSNFSA-N -1 0 327.409 3.825 20 0 EHADRM C[C@@H]1C[C@H](C)[C@@H](C(=O)Nc2cc(Cl)cc(Br)c2[O-])O1 ZINC000407962856 1016513713 /nfs/dbraw/zinc/51/37/13/1016513713.db2.gz FZBSHDVEYIIVDK-KJNMHVQDSA-N -1 0 348.624 3.560 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2c(C)cnn2-c2ccccc2)s1 ZINC000084505180 1016587394 /nfs/dbraw/zinc/58/73/94/1016587394.db2.gz OKSWAKDGXYDJEM-UHFFFAOYSA-N -1 0 347.465 3.605 20 0 EHADRM Nc1ccc(OC(F)(F)F)c(Nc2cc(F)cc(C(=O)[O-])c2)c1 ZINC001209894240 1016643701 /nfs/dbraw/zinc/64/37/01/1016643701.db2.gz TZBSABAECNBVFS-UHFFFAOYSA-N -1 0 330.237 3.748 20 0 EHADRM Cc1cccc2sc(C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])c(Cl)c21 ZINC000648336376 1016651456 /nfs/dbraw/zinc/65/14/56/1016651456.db2.gz PPLGNOQYRCGQDA-BDAKNGLRSA-N -1 0 325.817 3.702 20 0 EHADRM CCCN(Cc1ccccc1F)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000659405563 1016661404 /nfs/dbraw/zinc/66/14/04/1016661404.db2.gz MMIXLXCQMCHVRP-UHFFFAOYSA-N -1 0 344.386 3.646 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CC2(CCC2)[C@@H]1c1ccco1)CC(=O)[O-] ZINC000659413955 1016669811 /nfs/dbraw/zinc/66/98/11/1016669811.db2.gz CBBPUSSOGIYSAL-YOEHRIQHSA-N -1 0 348.443 3.653 20 0 EHADRM COCc1cccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000026547528 1016709037 /nfs/dbraw/zinc/70/90/37/1016709037.db2.gz RNFXWGFCQFPXPE-UHFFFAOYSA-N -1 0 331.437 3.513 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1CCC[C@H](F)C1)c1ccc(Cl)c(F)c1 ZINC000425247458 1016740792 /nfs/dbraw/zinc/74/07/92/1016740792.db2.gz YIDDZUDUHSGPAD-MJVIPROJSA-N -1 0 345.773 3.639 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@@H]2N=c1[n-]nc(C2CCOCC2)s1 ZINC000549107689 1016750960 /nfs/dbraw/zinc/75/09/60/1016750960.db2.gz SGKJOCAIRSXMGV-AWEZNQCLSA-N -1 0 347.484 3.881 20 0 EHADRM CC(C)Oc1ccccc1[C@H](C)N=c1[n-]nc(C2CCOCC2)s1 ZINC000549109351 1016811451 /nfs/dbraw/zinc/81/14/51/1016811451.db2.gz QICHXLMYCLYNBP-ZDUSSCGKSA-N -1 0 347.484 3.814 20 0 EHADRM CN(Cc1cc(Cl)ccc1F)C(=O)c1c([O-])cc(F)cc1F ZINC000683421850 1016854650 /nfs/dbraw/zinc/85/46/50/1016854650.db2.gz UEUQKXWPZQZIBG-UHFFFAOYSA-N -1 0 329.705 3.735 20 0 EHADRM O=S(=O)([N-]c1cccc2cc[nH]c21)c1ccc2c(c1)CCCC2 ZINC000547822240 1016873641 /nfs/dbraw/zinc/87/36/41/1016873641.db2.gz OPHHFKUECMOUHY-UHFFFAOYSA-N -1 0 326.421 3.848 20 0 EHADRM CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(C3CC3)c(C)c2)c1C ZINC000547822569 1016885159 /nfs/dbraw/zinc/88/51/59/1016885159.db2.gz LUIQBRSXBKOBRG-UHFFFAOYSA-N -1 0 333.457 3.506 20 0 EHADRM COC(=O)c1ccc(-c2noc(-c3cc(Cl)ccc3[O-])n2)cc1 ZINC000180359298 1016896130 /nfs/dbraw/zinc/89/61/30/1016896130.db2.gz QYGNAHHJONFCBT-UHFFFAOYSA-N -1 0 330.727 3.549 20 0 EHADRM Cc1cc(Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)ccc1C(=O)[O-] ZINC001211647970 1016932503 /nfs/dbraw/zinc/93/25/03/1016932503.db2.gz NSMZIGDYEGDEJR-SECBINFHSA-N -1 0 344.436 3.722 20 0 EHADRM C[C@H](NC(=O)N(C)CCCC(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000414602611 1016995865 /nfs/dbraw/zinc/99/58/65/1016995865.db2.gz TZSZREZZTDFYHX-HNNXBMFYSA-N -1 0 340.423 3.921 20 0 EHADRM Cc1ccc([C@@H](NC(=O)N(C)CCCC(=O)[O-])c2ccccc2)cc1 ZINC000414599889 1017004491 /nfs/dbraw/zinc/00/44/91/1017004491.db2.gz NSJDLCVEHXZNOA-IBGZPJMESA-N -1 0 340.423 3.591 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000414620890 1017068095 /nfs/dbraw/zinc/06/80/95/1017068095.db2.gz FNAYNTWDXZSCGL-HNNXBMFYSA-N -1 0 342.386 3.558 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c(O)c1 ZINC000135578042 1017235097 /nfs/dbraw/zinc/23/50/97/1017235097.db2.gz DIKNDOLOIWEKAH-UHFFFAOYSA-N -1 0 348.207 3.508 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)CCCCC(=O)c1ccccc1 ZINC000449145318 1032247525 /nfs/dbraw/zinc/24/75/25/1032247525.db2.gz WXYJRSQRKZDVHX-QGZVFWFLSA-N -1 0 345.439 3.676 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)[C@@H]1CCSc2ccccc21)C(=O)[O-] ZINC000449147820 1032251478 /nfs/dbraw/zinc/25/14/78/1032251478.db2.gz RPVUEQQHQZYKJW-ZIAGYGMSSA-N -1 0 335.469 3.662 20 0 EHADRM O=C(Cc1nc(=O)c2snc(-c3ccc(F)cc3)c2[n-]1)C1CCC1 ZINC000905032144 1032320659 /nfs/dbraw/zinc/32/06/59/1032320659.db2.gz YDHCKWQWWGHQMD-UHFFFAOYSA-N -1 0 343.383 3.510 20 0 EHADRM C[C@H]1C[C@H](c2cccnc2)N(C(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000184764996 1032331691 /nfs/dbraw/zinc/33/16/91/1032331691.db2.gz VXBAVGYUTIOCIY-XHDPSFHLSA-N -1 0 339.420 3.735 20 0 EHADRM Cc1ccc(CN=c2[n-]nc(-c3cccc(OC(F)F)c3)o2)cc1 ZINC000461217052 1032336645 /nfs/dbraw/zinc/33/66/45/1032336645.db2.gz HCSHWZWFIDZCRO-UHFFFAOYSA-N -1 0 331.322 3.680 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000905124050 1032353001 /nfs/dbraw/zinc/35/30/01/1032353001.db2.gz NXEYPIJEUPGRQS-ILXRZTDVSA-N -1 0 335.831 3.547 20 0 EHADRM CCCCN(Cc1ccccc1F)C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000666129700 1032354008 /nfs/dbraw/zinc/35/40/08/1032354008.db2.gz LBRABXFHTIYMCB-UHFFFAOYSA-N -1 0 343.358 3.510 20 0 EHADRM CCC(CC)(CC(=O)Nc1ccc(-c2ocnc2C)cc1)C(=O)[O-] ZINC000905129728 1032357504 /nfs/dbraw/zinc/35/75/04/1032357504.db2.gz JGCAURXDSIFIGQ-UHFFFAOYSA-N -1 0 330.384 3.870 20 0 EHADRM COCCc1nc(=N[C@H]2C[C@@H]3CCC(C)(C)c4cccc2c43)s[n-]1 ZINC000538452510 1032378238 /nfs/dbraw/zinc/37/82/38/1032378238.db2.gz SDWLAFPCGGGLQM-WFASDCNBSA-N -1 0 343.496 3.861 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000538504128 1032401959 /nfs/dbraw/zinc/40/19/59/1032401959.db2.gz DXWGFUIFMCDOHT-OAHLLOKOSA-N -1 0 347.455 3.873 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)c1 ZINC000083955240 1032408499 /nfs/dbraw/zinc/40/84/99/1032408499.db2.gz ILRKZNCNDXMXHB-UHFFFAOYSA-N -1 0 333.306 3.954 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1 ZINC000263039401 1032416893 /nfs/dbraw/zinc/41/68/93/1032416893.db2.gz CFCDJXFTVLAIDC-HUUCEWRRSA-N -1 0 348.443 3.686 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)C(C)(C)c2ccc(F)cc2)cc1 ZINC000263050183 1032423185 /nfs/dbraw/zinc/42/31/85/1032423185.db2.gz DWBUGJWBBALEOJ-LBPRGKRZSA-N -1 0 329.371 3.930 20 0 EHADRM Cc1ccc2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3O)c2n1 ZINC000084920642 1032467448 /nfs/dbraw/zinc/46/74/48/1032467448.db2.gz LCNGAJYQJUIYHD-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000601992523 1032585588 /nfs/dbraw/zinc/58/55/88/1032585588.db2.gz QWRLCCWXBNJFNG-ZJUUUORDSA-N -1 0 349.374 3.715 20 0 EHADRM CC(C)[C@@H]1C[C@H](NC(=O)[C@H](C)S[C@H](C)C(=O)[O-])c2ccccc21 ZINC000602007636 1032591754 /nfs/dbraw/zinc/59/17/54/1032591754.db2.gz JSDHXJDVZJGUCU-VZAMPYOESA-N -1 0 335.469 3.582 20 0 EHADRM CSc1ccccc1[C@H](C)NC(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000669622582 1032596662 /nfs/dbraw/zinc/59/66/62/1032596662.db2.gz INBHSMKRWCMTST-XJKSGUPXSA-N -1 0 343.448 3.844 20 0 EHADRM CCc1ccccc1CNC(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000460128516 1032604649 /nfs/dbraw/zinc/60/46/49/1032604649.db2.gz FOXBUAOMDRNIEZ-UHFFFAOYSA-N -1 0 344.465 3.573 20 0 EHADRM CC(C(=O)N(C(C)C)C(C)C)=S([O-])c1ccc(Cl)c(F)c1 ZINC000593009597 1032641060 /nfs/dbraw/zinc/64/10/60/1032641060.db2.gz VMLWXJNFXCBBAM-WSVYEEACSA-N -1 0 333.856 3.621 20 0 EHADRM CC(C(=O)N(C(C)C)C(C)C)=S([O-])c1ccc(Cl)c(F)c1 ZINC000593009595 1032641319 /nfs/dbraw/zinc/64/13/19/1032641319.db2.gz VMLWXJNFXCBBAM-MQJDWESPSA-N -1 0 333.856 3.621 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nc(CC(C)(C)C)cs2)s1 ZINC000537353628 1032654129 /nfs/dbraw/zinc/65/41/29/1032654129.db2.gz UJWDMSCAQFZEKB-UHFFFAOYSA-N -1 0 330.500 3.902 20 0 EHADRM C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000326863350 1032662386 /nfs/dbraw/zinc/66/23/86/1032662386.db2.gz VQFSPBZJOPVABL-XOBRGWDASA-N -1 0 343.398 3.778 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2ccc(C)o2)c(C2CC2)cc1Cl ZINC000655602834 1017209366 /nfs/dbraw/zinc/20/93/66/1017209366.db2.gz NCSWLOOKMUPNGF-UHFFFAOYSA-N -1 0 341.816 3.928 20 0 EHADRM Cc1cccc(O)c1[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000537393484 1032690779 /nfs/dbraw/zinc/69/07/79/1032690779.db2.gz CVBDPHPSKFVWNV-UHFFFAOYSA-N -1 0 346.433 3.625 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NCc2ncc(C(C)C)s2)cc1 ZINC000669470494 1032692559 /nfs/dbraw/zinc/69/25/59/1032692559.db2.gz KQRNIXKQVDESJS-CQSZACIVSA-N -1 0 334.441 3.581 20 0 EHADRM Cc1cc(C)cc([C@@H](NCc2nc3c(s2)CCCC3)C(=O)[O-])c1 ZINC000669472380 1032695041 /nfs/dbraw/zinc/69/50/41/1032695041.db2.gz WILVHGHSBIFLCZ-QGZVFWFLSA-N -1 0 330.453 3.554 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)NCc1ccc(F)c(F)c1)C1CCCCC1 ZINC000549176520 1017521610 /nfs/dbraw/zinc/52/16/10/1017521610.db2.gz AGCFNQSOTNBABI-GOSISDBHSA-N -1 0 339.382 3.642 20 0 EHADRM CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655886969 1017858386 /nfs/dbraw/zinc/85/83/86/1017858386.db2.gz JDWYYHAHWYPBRY-SNVBAGLBSA-N -1 0 347.242 3.634 20 0 EHADRM CC(C)CC1(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)CCCC1 ZINC000325255994 1017877915 /nfs/dbraw/zinc/87/79/15/1017877915.db2.gz WRSNGSGRQJHZOP-KRWDZBQOSA-N -1 0 329.440 3.804 20 0 EHADRM Cc1cc(Nc2cc(F)cnc2Br)ccc1C(=O)[O-] ZINC001211649885 1017886768 /nfs/dbraw/zinc/88/67/68/1017886768.db2.gz DLFCZVTXSWTRQH-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM CCC1CCC(N(C)C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1 ZINC000655908550 1017902180 /nfs/dbraw/zinc/90/21/80/1017902180.db2.gz YLWLLAMDBZAJEK-NXSPZCGBSA-N -1 0 338.492 3.732 20 0 EHADRM O=C(c1cc2ccccc2cc1O)N1CCC2(C1)Oc1ccccc1O2 ZINC000377519822 1017941276 /nfs/dbraw/zinc/94/12/76/1017941276.db2.gz OBRSAXRHHKPPAS-UHFFFAOYSA-N -1 0 347.370 3.559 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1CCC(F)(F)F ZINC000089099207 1017941872 /nfs/dbraw/zinc/94/18/72/1017941872.db2.gz LUSNQJTXBTUNPL-QWHCGFSZSA-N -1 0 341.329 3.787 20 0 EHADRM O=C(Nc1nnc(-c2ccsc2)s1)c1cc(O)ccc1Cl ZINC000377670150 1018167392 /nfs/dbraw/zinc/16/73/92/1018167392.db2.gz JOGNUFSDSRSPLA-UHFFFAOYSA-N -1 0 337.813 3.878 20 0 EHADRM CC(C)(C)C(=O)NCCCC(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000155534847 1018207058 /nfs/dbraw/zinc/20/70/58/1018207058.db2.gz WLWVCGWNIAMOMV-UHFFFAOYSA-N -1 0 347.242 3.580 20 0 EHADRM CSc1ccc(CCCC(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])cc1 ZINC000518775829 1018380437 /nfs/dbraw/zinc/38/04/37/1018380437.db2.gz XBCBNZFHHLNTDY-LPHOPBHVSA-N -1 0 349.496 3.881 20 0 EHADRM O=C([O-])CCC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCC1 ZINC000340581605 1018579140 /nfs/dbraw/zinc/57/91/40/1018579140.db2.gz SPJCDQDVBKPVBF-HNNXBMFYSA-N -1 0 329.318 3.528 20 0 EHADRM CCOc1ccccc1/C=C/C(=O)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000062692793 1032788011 /nfs/dbraw/zinc/78/80/11/1032788011.db2.gz DNWNYURDSWQBAU-GETOMWPZSA-N -1 0 340.375 3.833 20 0 EHADRM CC[C@@H](Cc1ccc(NCc2nc3c(s2)CCC3)cc1)C(=O)[O-] ZINC000669478193 1032792122 /nfs/dbraw/zinc/79/21/22/1032792122.db2.gz SCVGOBBACOCXLZ-ZDUSSCGKSA-N -1 0 330.453 3.897 20 0 EHADRM CC(C)c1cccc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000047417996 1018897790 /nfs/dbraw/zinc/89/77/90/1018897790.db2.gz ONRFRCVNONEJHE-UHFFFAOYSA-N -1 0 338.360 3.658 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1sc2ccc(OC)cc2c1C ZINC000237071682 1018969193 /nfs/dbraw/zinc/96/91/93/1018969193.db2.gz HRHRGULLVCBYAL-SNVBAGLBSA-N -1 0 335.425 3.544 20 0 EHADRM C[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)C1CCC(F)(F)CC1 ZINC000655341855 1019012873 /nfs/dbraw/zinc/01/28/73/1019012873.db2.gz VPTLEQZNRANQIA-ZETCQYMHSA-N -1 0 337.288 3.753 20 0 EHADRM CCc1cccc(S(=O)(=O)Nc2cccc(COC(C)C)c2)c1 ZINC000433503589 1019024199 /nfs/dbraw/zinc/02/41/99/1019024199.db2.gz VUVLCXNUDQARNW-UHFFFAOYSA-N -1 0 333.453 3.975 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2cccc3ccc(C)nc32)c1 ZINC000433508611 1019029247 /nfs/dbraw/zinc/02/92/47/1019029247.db2.gz HBBDJSIDQYNCCT-UHFFFAOYSA-N -1 0 326.421 3.906 20 0 EHADRM CS(=O)(=O)c1ccccc1Nc1cc(Cl)c([O-])c(Cl)c1 ZINC001210927404 1019064058 /nfs/dbraw/zinc/06/40/58/1019064058.db2.gz LXODYRXWVXCNQY-UHFFFAOYSA-N -1 0 332.208 3.846 20 0 EHADRM COC(=O)c1cnc(Nc2cccc([S-])c2)c(Br)c1 ZINC001210945900 1019099162 /nfs/dbraw/zinc/09/91/62/1019099162.db2.gz YPVPOWJJCNMYRQ-UHFFFAOYSA-N -1 0 339.214 3.663 20 0 EHADRM Cn1ccc2cccc([N-]S(=O)(=O)c3c(F)cccc3Cl)c21 ZINC000471567834 1019214651 /nfs/dbraw/zinc/21/46/51/1019214651.db2.gz YHLKGQYOVDWHRK-UHFFFAOYSA-N -1 0 338.791 3.772 20 0 EHADRM CCC[C@@H](C(=O)[O-])[S@](=O)Cc1nc(C2CCCCC2)cs1 ZINC000580409756 1019315879 /nfs/dbraw/zinc/31/58/79/1019315879.db2.gz MAIZIUISAGSYHQ-YEJXKQKISA-N -1 0 329.487 3.693 20 0 EHADRM CSc1cncc(Nc2cc(Cl)c(C)cc2S(=O)(=O)[O-])c1 ZINC001211072467 1019373630 /nfs/dbraw/zinc/37/36/30/1019373630.db2.gz FDDQMDYPIGJZFY-UHFFFAOYSA-N -1 0 344.845 3.756 20 0 EHADRM CO[C@H](C)c1nc(=NC[C@@H](Cc2ccccc2)C(F)(F)F)s[n-]1 ZINC000580493587 1019479686 /nfs/dbraw/zinc/47/96/86/1019479686.db2.gz KOAVDOANDMKVMY-ZYHUDNBSSA-N -1 0 345.390 3.501 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)N[C@@H](C)c1cccc(OC(C)C)c1)C1CC1 ZINC000580514066 1019531739 /nfs/dbraw/zinc/53/17/39/1019531739.db2.gz WRUBSVYNPOMKNZ-SUMWQHHRSA-N -1 0 348.443 3.572 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2CC[C@@H]2C(=O)[O-])c(OCc2ccccc2)c1 ZINC000262148718 1019547880 /nfs/dbraw/zinc/54/78/80/1019547880.db2.gz PCUYXAKNDOCBNA-HOTGVXAUSA-N -1 0 339.391 3.623 20 0 EHADRM CC(C)(C)c1nc2cc(NS(=O)(=O)c3ccccc3)ccc2o1 ZINC000032097443 1032839043 /nfs/dbraw/zinc/83/90/43/1032839043.db2.gz QIPLMZIZMVPKMI-UHFFFAOYSA-N -1 0 330.409 3.926 20 0 EHADRM C[C@@H]1CCN(C(=O)Cc2cccc(C(=O)[O-])c2)[C@@H](c2ccco2)C1 ZINC000262240503 1019572875 /nfs/dbraw/zinc/57/28/75/1019572875.db2.gz XYOHBPQVXKICDQ-CZUORRHYSA-N -1 0 327.380 3.520 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)CN(CC(=O)[O-])c1ccccc1 ZINC000262264225 1019576873 /nfs/dbraw/zinc/57/68/73/1019576873.db2.gz HBWLSBQPIGEGRM-UHFFFAOYSA-N -1 0 340.423 3.648 20 0 EHADRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCCCCCC1 ZINC000172670276 1032837915 /nfs/dbraw/zinc/83/79/15/1032837915.db2.gz CVZZMVHAXMORSC-SFHVURJKSA-N -1 0 342.439 3.640 20 0 EHADRM C[C@@H]1CCCCN1C(=O)Nc1ccc(C(=O)[O-])cc1Br ZINC000071393653 1019657058 /nfs/dbraw/zinc/65/70/58/1019657058.db2.gz RUYHXJXBWHAQGW-SECBINFHSA-N -1 0 341.205 3.554 20 0 EHADRM O=C([N-]S(=O)(=O)c1sccc1Cl)C1CCCCCCC1 ZINC000408496595 1019661121 /nfs/dbraw/zinc/66/11/21/1019661121.db2.gz KJLZQUMCXONDKZ-UHFFFAOYSA-N -1 0 335.878 3.567 20 0 EHADRM CCC[C@@H](CNC(=O)CCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000656253284 1019678801 /nfs/dbraw/zinc/67/88/01/1019678801.db2.gz WLWSVTHODJAZDX-JTQLQIEISA-N -1 0 332.227 3.543 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)c1F ZINC000513446573 1019692981 /nfs/dbraw/zinc/69/29/81/1019692981.db2.gz GQODKBLWQUONGM-UHFFFAOYSA-N -1 0 345.342 3.579 20 0 EHADRM CCCc1cc(C(=O)N(C)c2ccc(OCC(=O)[O-])cc2)sc1C ZINC000262950504 1019774973 /nfs/dbraw/zinc/77/49/73/1019774973.db2.gz HFPWYTTZAFTDMY-UHFFFAOYSA-N -1 0 347.436 3.749 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000263176885 1019832966 /nfs/dbraw/zinc/83/29/66/1019832966.db2.gz GUFWFAKDQQIOFU-DYVFJYSZSA-N -1 0 333.428 3.941 20 0 EHADRM Cc1nc(C(=O)N2CC[C@H](C)C3(CCCCC3)C2)ccc1C(=O)[O-] ZINC000263349305 1019883584 /nfs/dbraw/zinc/88/35/84/1019883584.db2.gz OZPTXLXLSYTTIH-ZDUSSCGKSA-N -1 0 330.428 3.521 20 0 EHADRM C[C@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)[C@H](C)C(=O)[O-] ZINC000263419019 1019901355 /nfs/dbraw/zinc/90/13/55/1019901355.db2.gz IJQSSTLIKSFXOY-GRDNDAEWSA-N -1 0 343.448 3.745 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cc1)c1cccnc1C(F)(F)F ZINC000340776042 1019978328 /nfs/dbraw/zinc/97/83/28/1019978328.db2.gz HTBSXJXMUFFKSC-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)CC1 ZINC000375631451 1020013635 /nfs/dbraw/zinc/01/36/35/1020013635.db2.gz XCPUHQYEINXLNX-XJKCOSOUSA-N -1 0 335.831 3.895 20 0 EHADRM C[C@@H]1[C@H](C(=O)N=c2nc(-c3ccsc3)[n-]s2)[C@H]1c1ccccc1 ZINC000430520910 1020060032 /nfs/dbraw/zinc/06/00/32/1020060032.db2.gz CGUBFVSJIUAKPZ-GDLCADMTSA-N -1 0 341.461 3.677 20 0 EHADRM C[C@@H](NC(=O)N([C@H](C)C(=O)[O-])C1CC1)c1cccc(Cl)c1Cl ZINC000580871198 1020164117 /nfs/dbraw/zinc/16/41/17/1020164117.db2.gz SPCGMFBHSZNHSA-RKDXNWHRSA-N -1 0 345.226 3.702 20 0 EHADRM O=C([O-])CC1(NC(=O)CC2CC(c3ccccc3)C2)CCCCC1 ZINC000580992182 1020338924 /nfs/dbraw/zinc/33/89/24/1020338924.db2.gz VCZXNOJYGZJJHB-UHFFFAOYSA-N -1 0 329.440 3.864 20 0 EHADRM CC(C)Oc1ccccc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000340842281 1020400158 /nfs/dbraw/zinc/40/01/58/1020400158.db2.gz FVNQXZWIYMYSLT-UHFFFAOYSA-N -1 0 342.420 3.823 20 0 EHADRM Cc1ccn(-c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000345670797 1020419673 /nfs/dbraw/zinc/41/96/73/1020419673.db2.gz BAWHFHQAKOEFKJ-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)N([C@H](C)C(=O)[O-])C2CC2)cc1 ZINC000581169494 1020498828 /nfs/dbraw/zinc/49/88/28/1020498828.db2.gz UUBRPRHAZUCFOV-NWDGAFQWSA-N -1 0 336.457 3.507 20 0 EHADRM CC(C)C[C@@H]1CCCN1C(=O)N=c1[n-]nc(-c2ccccc2)s1 ZINC000548154679 1020505457 /nfs/dbraw/zinc/50/54/57/1020505457.db2.gz FZSBBUWRBALJJM-AWEZNQCLSA-N -1 0 330.457 3.669 20 0 EHADRM CCC[C@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC000780370803 1020546054 /nfs/dbraw/zinc/54/60/54/1020546054.db2.gz PFAPQRNZODQWML-ROUUACIJSA-N -1 0 340.423 3.523 20 0 EHADRM Cc1ccc(-c2noc(=NCc3nc(-c4cccs4)c[nH]3)[n-]2)cc1 ZINC000340920274 1020610309 /nfs/dbraw/zinc/61/03/09/1020610309.db2.gz LLUWIJKZRXYQBZ-UHFFFAOYSA-N -1 0 337.408 3.531 20 0 EHADRM CC(C)Cc1nc(=N[C@@H](C)c2nccn2-c2ccccc2)s[n-]1 ZINC000340920945 1020613228 /nfs/dbraw/zinc/61/32/28/1020613228.db2.gz TYKWBOOSIHZSAS-ZDUSSCGKSA-N -1 0 327.457 3.517 20 0 EHADRM CCc1cccc(NC(=O)c2ccc(-n3ncc(C(=O)[O-])c3C)cc2)c1 ZINC000237005721 1020613746 /nfs/dbraw/zinc/61/37/46/1020613746.db2.gz FKPGEOHNPDKINV-UHFFFAOYSA-N -1 0 349.390 3.694 20 0 EHADRM O=S(=O)([N-]c1ccsc1)c1c(F)cccc1OC(F)(F)F ZINC000340943168 1020654059 /nfs/dbraw/zinc/65/40/59/1020654059.db2.gz UHHADIINNSPLML-UHFFFAOYSA-N -1 0 341.307 3.587 20 0 EHADRM Cc1nc(Cl)ccc1NC(=O)c1ccc(Br)cc1[O-] ZINC000228675836 1032919068 /nfs/dbraw/zinc/91/90/68/1032919068.db2.gz DJLVYMIOOZTBNN-UHFFFAOYSA-N -1 0 341.592 3.764 20 0 EHADRM CC(C)[C@@H](NC(=O)C[C@H](C(=O)[O-])c1ccccc1)c1ccccc1F ZINC000656485700 1020707147 /nfs/dbraw/zinc/70/71/47/1020707147.db2.gz DNSJZZJZEBYPSM-QFBILLFUSA-N -1 0 343.398 3.898 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)NCc1ccc(-c2cccs2)cc1 ZINC000656485794 1020707159 /nfs/dbraw/zinc/70/71/59/1020707159.db2.gz HCBWSGUEQIDWDR-HOTGVXAUSA-N -1 0 341.432 3.698 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)Nc1ccc2c(c1)C=CCCC2)C1CC1 ZINC000656505661 1020766825 /nfs/dbraw/zinc/76/68/25/1020766825.db2.gz BOIQLMSDAULODM-KRWDZBQOSA-N -1 0 328.412 3.896 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)NCc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000656585684 1020969764 /nfs/dbraw/zinc/96/97/64/1020969764.db2.gz ZEICJRUQCNGRTQ-CYBMUJFWSA-N -1 0 345.226 3.531 20 0 EHADRM C[C@@H]1CCN(c2nccc3cc(C(F)(F)F)ccc32)C[C@@H]1C(=O)[O-] ZINC000581488656 1021011062 /nfs/dbraw/zinc/01/10/62/1021011062.db2.gz SJIRKBGHHWPEHA-YGRLFVJLSA-N -1 0 338.329 3.801 20 0 EHADRM CO[C@@H](CS(=O)(=O)[N-]c1cccc2cccnc21)C1CCCCC1 ZINC000656615140 1021032549 /nfs/dbraw/zinc/03/25/49/1021032549.db2.gz ACAYJJOAZNVSDF-KRWDZBQOSA-N -1 0 348.468 3.572 20 0 EHADRM COc1ccc(-c2cc(C(=O)[O-])ccc2CO)cc1COC1CCC1 ZINC000581559161 1021083625 /nfs/dbraw/zinc/08/36/25/1021083625.db2.gz OTUWVYCBZVHZDU-UHFFFAOYSA-N -1 0 342.391 3.622 20 0 EHADRM CC(=O)c1ccc(CC(=O)Nc2ccc(O)c(C(F)(F)F)c2)cc1 ZINC000476140861 1032953312 /nfs/dbraw/zinc/95/33/12/1032953312.db2.gz HIXIGQIGSYQGBE-UHFFFAOYSA-N -1 0 337.297 3.795 20 0 EHADRM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1nccn1-c1ccccc1 ZINC000430620716 1021193343 /nfs/dbraw/zinc/19/33/43/1021193343.db2.gz BNIUPHMZQSLQHS-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM CC(=O)Nc1ccc(O)c(-c2nc(-c3occc3C(C)C)no2)c1 ZINC000436777734 1021206188 /nfs/dbraw/zinc/20/61/88/1021206188.db2.gz DJWQSZAGDCUACW-UHFFFAOYSA-N -1 0 327.340 3.784 20 0 EHADRM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000427207390 1021213826 /nfs/dbraw/zinc/21/38/26/1021213826.db2.gz VQCNURLJQCRRGY-HIFRSBDPSA-N -1 0 345.418 3.758 20 0 EHADRM CCN(CCc1cccs1)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436768716 1021217648 /nfs/dbraw/zinc/21/76/48/1021217648.db2.gz FPOYZTMJNARCJJ-UHFFFAOYSA-N -1 0 327.808 3.951 20 0 EHADRM CCc1cccnc1[N-]S(=O)(=O)c1cccc(O[C@H](C)CC)c1 ZINC000656731113 1021222294 /nfs/dbraw/zinc/22/22/94/1021222294.db2.gz MRZXCPZSQCYBBG-CYBMUJFWSA-N -1 0 334.441 3.622 20 0 EHADRM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2cc(C)cnc2C)c1 ZINC000656734156 1021229155 /nfs/dbraw/zinc/22/91/55/1021229155.db2.gz BFCBGVJICFUHOH-CYBMUJFWSA-N -1 0 334.441 3.677 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2nccc(C)c2C2CC2)c(C)c1 ZINC000656738376 1021233725 /nfs/dbraw/zinc/23/37/25/1021233725.db2.gz JFIAIKNIHHCNND-UHFFFAOYSA-N -1 0 330.453 3.993 20 0 EHADRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1nccc(C)c1C1CC1 ZINC000656738735 1021235762 /nfs/dbraw/zinc/23/57/62/1021235762.db2.gz FXLZARYSSFKYHT-UHFFFAOYSA-N -1 0 346.452 3.694 20 0 EHADRM O=C(c1c([O-])cc(Cl)cc1Cl)N1CCOC[C@@H](C2CCC2)C1 ZINC000436790434 1021235635 /nfs/dbraw/zinc/23/56/35/1021235635.db2.gz HODLVNYUQKCPKE-NSHDSACASA-N -1 0 344.238 3.588 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])[C@H]1CCCN1c1ccccc1 ZINC000427213320 1021237681 /nfs/dbraw/zinc/23/76/81/1021237681.db2.gz QSSUYFFSKOEELC-OAHLLOKOSA-N -1 0 334.778 3.792 20 0 EHADRM Cc1[nH]c2ccc(C(=O)N=c3nc(-c4ccccc4)[n-]s3)cc2c1C ZINC000507424078 1021258527 /nfs/dbraw/zinc/25/85/27/1021258527.db2.gz NMNQYEDTHYJBNT-UHFFFAOYSA-N -1 0 348.431 3.977 20 0 EHADRM CSc1cccc(F)c1CNC(=O)c1ccc([O-])c(Cl)c1 ZINC000436826874 1021277608 /nfs/dbraw/zinc/27/76/08/1021277608.db2.gz LZDSKSOKCQHPAC-UHFFFAOYSA-N -1 0 325.792 3.837 20 0 EHADRM CC1(C)CC(=O)c2cc(NC(=O)c3ccc(F)cc3[O-])ccc2O1 ZINC000436840403 1021283859 /nfs/dbraw/zinc/28/38/59/1021283859.db2.gz QOPIKDHGGVZALT-UHFFFAOYSA-N -1 0 329.327 3.527 20 0 EHADRM COc1cccc([C@H]2C[C@@H](C)CN2C(=O)c2ccc(C)cc2O)c1 ZINC000436841280 1021284550 /nfs/dbraw/zinc/28/45/50/1021284550.db2.gz YNDPFGWJBUMQCF-RDTXWAMCSA-N -1 0 325.408 3.933 20 0 EHADRM Cc1cc(N(C)C)ccc1NC(=O)c1cccc(Br)c1[O-] ZINC000518544273 1021288054 /nfs/dbraw/zinc/28/80/54/1021288054.db2.gz DPDABMPLKQSAPV-UHFFFAOYSA-N -1 0 349.228 3.781 20 0 EHADRM CCCC[C@@H](C(=O)[O-])N1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000518546305 1021288428 /nfs/dbraw/zinc/28/84/28/1021288428.db2.gz DWOWKKMHCYEHER-GJZGRUSLSA-N -1 0 345.361 3.722 20 0 EHADRM CC1(C)CC(=O)c2cc(NC(=O)c3c([O-])cccc3F)ccc2O1 ZINC000436844975 1021288990 /nfs/dbraw/zinc/28/89/90/1021288990.db2.gz QRXNYMIZCFGJSA-UHFFFAOYSA-N -1 0 329.327 3.527 20 0 EHADRM CN(C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-])[C@@H]1CCCOC1 ZINC000436852654 1021295955 /nfs/dbraw/zinc/29/59/55/1021295955.db2.gz AXFYPMZJZOFTCK-OAHLLOKOSA-N -1 0 345.826 3.964 20 0 EHADRM CC(C)(C)[C@@H]1CCN(C(=O)c2c([O-])cc(Cl)cc2Cl)C[C@@H]1O ZINC000436861203 1021297976 /nfs/dbraw/zinc/29/79/76/1021297976.db2.gz JKGDGMBONBNARZ-MFKMUULPSA-N -1 0 346.254 3.568 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c1 ZINC000436860490 1021299068 /nfs/dbraw/zinc/29/90/68/1021299068.db2.gz HBBCKJFAVFQVRT-KBPBESRZSA-N -1 0 329.783 3.990 20 0 EHADRM CC(C)CCc1ccc(S(=O)(=O)Nc2ccc3c[nH]nc3c2)cc1 ZINC000032532038 1021304021 /nfs/dbraw/zinc/30/40/21/1021304021.db2.gz WZVIKHIHRQVCPE-UHFFFAOYSA-N -1 0 343.452 3.952 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)c1 ZINC000436868720 1021309333 /nfs/dbraw/zinc/30/93/33/1021309333.db2.gz IIMOKIWZGPLROX-JSGCOSHPSA-N -1 0 331.318 3.615 20 0 EHADRM Cc1ccc(-c2nnco2)cc1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436858201 1021322737 /nfs/dbraw/zinc/32/27/37/1021322737.db2.gz ZLBGKVNNWGCTAP-UHFFFAOYSA-N -1 0 347.733 3.795 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CCSCc2ccccc2)c1 ZINC000436879308 1021327257 /nfs/dbraw/zinc/32/72/57/1021327257.db2.gz GBBFPOQOMWCECM-UHFFFAOYSA-N -1 0 329.421 3.857 20 0 EHADRM C[C@@H]1CCC[C@H](C)N(C(=O)c2cc(F)cc(Br)c2[O-])C1 ZINC000436891407 1021345809 /nfs/dbraw/zinc/34/58/09/1021345809.db2.gz XTMZXLRLSVSJIS-ZJUUUORDSA-N -1 0 344.224 3.945 20 0 EHADRM O=C(Nc1csc(-c2ccncc2)n1)c1cc(F)c([O-])c(Cl)c1 ZINC000436910106 1021352905 /nfs/dbraw/zinc/35/29/05/1021352905.db2.gz QDHUTDPLRIFKTH-UHFFFAOYSA-N -1 0 349.774 3.956 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cc1C(F)(F)F)c1ccccc1F ZINC000107018072 1032973506 /nfs/dbraw/zinc/97/35/06/1032973506.db2.gz OFTPACDBOVZUNK-UHFFFAOYSA-N -1 0 337.269 3.784 20 0 EHADRM C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436913838 1021372445 /nfs/dbraw/zinc/37/24/45/1021372445.db2.gz HGRIBLMUSWWUSH-IONNQARKSA-N -1 0 339.716 3.988 20 0 EHADRM COc1cc(F)c(F)cc1NC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436940655 1021401873 /nfs/dbraw/zinc/40/18/73/1021401873.db2.gz XJGWDVMGALPXMH-UHFFFAOYSA-N -1 0 331.677 3.724 20 0 EHADRM COc1ccc2cc(CN(C)C(=O)c3c([O-])cccc3F)ccc2c1 ZINC000436947573 1021408682 /nfs/dbraw/zinc/40/86/82/1021408682.db2.gz ZGCWQAPXKBFJQW-UHFFFAOYSA-N -1 0 339.366 3.965 20 0 EHADRM CCC(CC)[C@H](CCNC(=O)c1cc(F)c([O-])c(Cl)c1)OC ZINC000436962248 1021409404 /nfs/dbraw/zinc/40/94/04/1021409404.db2.gz JBDTZKLMRXWZPM-AWEZNQCLSA-N -1 0 331.815 3.756 20 0 EHADRM Cc1ccc2c(CCNC(=O)c3cc(F)c([O-])c(Cl)c3)c[nH]c2c1 ZINC000436967717 1021414901 /nfs/dbraw/zinc/41/49/01/1021414901.db2.gz YJIGDRZXDYEDMA-UHFFFAOYSA-N -1 0 346.789 3.947 20 0 EHADRM CO[C@@H](c1noc(-c2cc(Cl)ccc2[O-])n1)c1ccc(F)cc1 ZINC000436953469 1021419381 /nfs/dbraw/zinc/41/93/81/1021419381.db2.gz PRZNCKVBJUVKKW-CQSZACIVSA-N -1 0 334.734 3.971 20 0 EHADRM O=S(=O)([N-]c1cc(F)cc(F)c1)c1csc2ccccc21 ZINC000506572417 1021425707 /nfs/dbraw/zinc/42/57/07/1021425707.db2.gz XZDJVTRSOSLRGZ-UHFFFAOYSA-N -1 0 325.361 3.980 20 0 EHADRM COc1ccccc1-n1nc(C)cc1Nc1ccc(C(=O)[O-])cc1C ZINC001211621076 1032978953 /nfs/dbraw/zinc/97/89/53/1032978953.db2.gz VQSVFINUOCFQPN-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C[C@@H](C2CC2)O1 ZINC000436983730 1021456273 /nfs/dbraw/zinc/45/62/73/1021456273.db2.gz KXMAYUWFCPCITG-GTNSWQLSSA-N -1 0 345.826 3.838 20 0 EHADRM O=C(c1cc(F)cc(Br)c1[O-])N1CCCC2(CCC2)C1 ZINC000436999034 1021468790 /nfs/dbraw/zinc/46/87/90/1021468790.db2.gz IJQDTBPIGXPXPQ-UHFFFAOYSA-N -1 0 342.208 3.700 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CCCC(=O)c2ccc(C)cc2)c1 ZINC000437002371 1021470148 /nfs/dbraw/zinc/47/01/48/1021470148.db2.gz XNTCGPQXAPSCSH-UHFFFAOYSA-N -1 0 339.391 3.895 20 0 EHADRM O=C(Nc1csc(-c2ccccn2)n1)c1cc(F)c([O-])c(Cl)c1 ZINC000437000741 1021471792 /nfs/dbraw/zinc/47/17/92/1021471792.db2.gz PHWHGRFWEWUJNM-UHFFFAOYSA-N -1 0 349.774 3.956 20 0 EHADRM CSc1cc(C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)c(Cl)cc1Cl ZINC000659230464 1021480194 /nfs/dbraw/zinc/48/01/94/1021480194.db2.gz NDOHMPODWMMEGC-OCAPTIKFSA-N -1 0 348.251 3.651 20 0 EHADRM Cc1ccc(-c2nc(NC(=O)C3(C(=O)[O-])CC=CC3)sc2C)s1 ZINC000656852561 1021485450 /nfs/dbraw/zinc/48/54/50/1021485450.db2.gz PTAOFSBWEMESCT-UHFFFAOYSA-N -1 0 348.449 3.848 20 0 EHADRM CSCCCCNC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000439537883 1021541326 /nfs/dbraw/zinc/54/13/26/1021541326.db2.gz VMTDAGXCXNFTGJ-UHFFFAOYSA-N -1 0 347.484 3.574 20 0 EHADRM CC[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000048617812 1021588734 /nfs/dbraw/zinc/58/87/34/1021588734.db2.gz OGAZLBNUBBSROM-CYBMUJFWSA-N -1 0 339.363 3.804 20 0 EHADRM CCCCCc1nnc([N-]S(=O)(=O)c2cc(C)ccc2F)s1 ZINC000437170507 1021607845 /nfs/dbraw/zinc/60/78/45/1021607845.db2.gz WWIYUYMWHVIQTM-UHFFFAOYSA-N -1 0 343.449 3.519 20 0 EHADRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1Cc1nc(C2CCCC2)no1 ZINC000516665302 1021648802 /nfs/dbraw/zinc/64/88/02/1021648802.db2.gz YRSANGRDRZITNG-JKSUJKDBSA-N -1 0 347.459 3.583 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)nc1 ZINC000437338521 1021744436 /nfs/dbraw/zinc/74/44/36/1021744436.db2.gz ROWFNKHKKCZPGL-UHFFFAOYSA-N -1 0 336.482 3.902 20 0 EHADRM CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(Br)c(F)cc1[O-] ZINC001141540382 1021794619 /nfs/dbraw/zinc/79/46/19/1021794619.db2.gz LIYQDMZYIWJZAR-NOZJJQNGSA-N -1 0 344.224 3.992 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1c(F)cccc1N1CCCC1 ZINC000437401098 1021797741 /nfs/dbraw/zinc/79/77/41/1021797741.db2.gz UOWRSKPUQUQRRV-UHFFFAOYSA-N -1 0 340.445 3.597 20 0 EHADRM CC(C)c1ccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2)cc1 ZINC000519060635 1021805284 /nfs/dbraw/zinc/80/52/84/1021805284.db2.gz GIQCUYYCXVVHJD-UHFFFAOYSA-N -1 0 341.436 3.797 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2sccc2C)n(-c2ccccc2C)n1 ZINC000437410780 1021805716 /nfs/dbraw/zinc/80/57/16/1021805716.db2.gz ZPOQXDIZIPAAIX-UHFFFAOYSA-N -1 0 347.465 3.660 20 0 EHADRM CCSc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC000439894969 1021809256 /nfs/dbraw/zinc/80/92/56/1021809256.db2.gz OYLTXOBMZMWPTA-BPUTZDHNSA-N -1 0 333.453 3.657 20 0 EHADRM CCc1cc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)oc1CC ZINC000439920227 1021825643 /nfs/dbraw/zinc/82/56/43/1021825643.db2.gz LVSHUMGEYICFNK-UHFFFAOYSA-N -1 0 343.423 3.912 20 0 EHADRM Cc1n[n-]c(=NC[C@@H]2CC3c4ccccc4C2c2ccccc23)s1 ZINC000607142255 1033011198 /nfs/dbraw/zinc/01/11/98/1033011198.db2.gz YMGAMTUVEGPATQ-MDAWKPQNSA-N -1 0 333.460 3.978 20 0 EHADRM Cc1ccsc1[C@H]1C[C@@H]1C(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000439984874 1021865503 /nfs/dbraw/zinc/86/55/03/1021865503.db2.gz DDISKXSHDXMUCG-GJZGRUSLSA-N -1 0 335.432 3.678 20 0 EHADRM CCC[C@]1(C)CCCN(C(=O)c2cnc3nc(C)ccc3c2O)C1 ZINC000440924606 1021871424 /nfs/dbraw/zinc/87/14/24/1021871424.db2.gz OHBXIJIELIMGPF-LJQANCHMSA-N -1 0 327.428 3.686 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2CCCC[C@H]2c2ccc(C)cc2)s1 ZINC000437551242 1021936519 /nfs/dbraw/zinc/93/65/19/1021936519.db2.gz UIZKFEYEQCFJND-HNNXBMFYSA-N -1 0 344.484 3.980 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)s1 ZINC000437552431 1021937450 /nfs/dbraw/zinc/93/74/50/1021937450.db2.gz AVHKUEQMDGBTFW-UKRRQHHQSA-N -1 0 344.484 3.570 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N(C)Cc1ccccc1 ZINC000548265964 1021942871 /nfs/dbraw/zinc/94/28/71/1021942871.db2.gz ODGJFVLAJHWRKL-UHFFFAOYSA-N -1 0 342.395 3.836 20 0 EHADRM CCCN(C(=O)Nc1ccc(OC(C)C)c(C)c1)[C@@H](CC)C(=O)[O-] ZINC000519288295 1021976611 /nfs/dbraw/zinc/97/66/11/1021976611.db2.gz RNEKPLBFJQJRDG-HNNXBMFYSA-N -1 0 336.432 3.889 20 0 EHADRM N#C/C(=C/c1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000216105994 1021980875 /nfs/dbraw/zinc/98/08/75/1021980875.db2.gz KNGPEBRHSVVWTC-LCYFTJDESA-N -1 0 326.739 3.584 20 0 EHADRM CCc1n[n-]c(=NCc2cnn(C3CCCC3)c2-c2ccccc2)o1 ZINC000520215529 1022031034 /nfs/dbraw/zinc/03/10/34/1022031034.db2.gz GFALLZFEZSLPOC-UHFFFAOYSA-N -1 0 337.427 3.645 20 0 EHADRM CC(C)Oc1cccc([C@H](C)N=c2[n-]nc(C3CCOCC3)s2)c1 ZINC000519430707 1022101284 /nfs/dbraw/zinc/10/12/84/1022101284.db2.gz AJALPUNXXAXSDF-ZDUSSCGKSA-N -1 0 347.484 3.814 20 0 EHADRM C[C@H](NC(=O)Cc1ccccc1C(=O)[O-])c1cccc2ccccc21 ZINC000327927677 1033035186 /nfs/dbraw/zinc/03/51/86/1033035186.db2.gz FIHKQHDZKQOTQJ-AWEZNQCLSA-N -1 0 333.387 3.958 20 0 EHADRM Cc1cc(C)c2c(c1)N(C(=O)CC1CCC(C(=O)[O-])CC1)CCC2 ZINC000520412041 1022214356 /nfs/dbraw/zinc/21/43/56/1022214356.db2.gz JSNAMKLPFUMJNM-UHFFFAOYSA-N -1 0 329.440 3.864 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)N3CCCC[C@@H]3C(=O)[O-])ccc21 ZINC000517347367 1022271891 /nfs/dbraw/zinc/27/18/91/1022271891.db2.gz NWVBQHKAZGJPMT-QGZVFWFLSA-N -1 0 343.427 3.768 20 0 EHADRM CC(C)[C@@H](C(=O)N=c1nc(C(C)(C)C)[n-]s1)c1ccc(F)cc1 ZINC000550343378 1022290980 /nfs/dbraw/zinc/29/09/80/1022290980.db2.gz GWEQFPQCGUJRAF-CYBMUJFWSA-N -1 0 335.448 3.775 20 0 EHADRM CC(C)[C@@H](CNC(=O)C1(Sc2ccccc2)CCCC1)C(=O)[O-] ZINC000655572838 1022357445 /nfs/dbraw/zinc/35/74/45/1022357445.db2.gz GWMPRYATMNHREI-OAHLLOKOSA-N -1 0 335.469 3.565 20 0 EHADRM O=S(=O)([O-])c1ccc2c(cccc2Nc2cc(F)nc(F)c2)c1 ZINC001213082387 1022438194 /nfs/dbraw/zinc/43/81/94/1022438194.db2.gz KGFYJLRFTPAUPW-UHFFFAOYSA-N -1 0 336.319 3.503 20 0 EHADRM CCCc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000007055797 1022529414 /nfs/dbraw/zinc/52/94/14/1022529414.db2.gz LZGMDTQMUABRPP-UHFFFAOYSA-N -1 0 329.343 3.857 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655579277 1022531709 /nfs/dbraw/zinc/53/17/09/1022531709.db2.gz LZBRLQJIOOUQSI-YQFWSFKMSA-N -1 0 331.456 3.740 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCc4ccccc43)n2)cc1 ZINC000303918208 1022625099 /nfs/dbraw/zinc/62/50/99/1022625099.db2.gz SWPZWSDUZFVWDF-UHFFFAOYSA-N -1 0 347.418 3.904 20 0 EHADRM CC(C)[C@@H]([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)c1ccc(Cl)cc1 ZINC000546094568 1022704609 /nfs/dbraw/zinc/70/46/09/1022704609.db2.gz DDFUPPWPTKBEFM-JOYOIKCWSA-N -1 0 343.798 3.907 20 0 EHADRM CCC[C@@H]1CCCCN1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000330897372 1022709764 /nfs/dbraw/zinc/70/97/64/1022709764.db2.gz UEJURLRXRAOXFE-CYBMUJFWSA-N -1 0 331.391 3.512 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655583158 1022741124 /nfs/dbraw/zinc/74/11/24/1022741124.db2.gz CVPLACLSZIIIKB-WCFLWFBJSA-N -1 0 347.386 3.746 20 0 EHADRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)sc1C ZINC000048518898 1022784906 /nfs/dbraw/zinc/78/49/06/1022784906.db2.gz UKANCMGHGPQONB-UHFFFAOYSA-N -1 0 329.830 3.712 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)NCC2(C(C)C)CC2)s[n-]1 ZINC000473826382 1022901638 /nfs/dbraw/zinc/90/16/38/1022901638.db2.gz RTUNMEKHJBYBCM-UHFFFAOYSA-N -1 0 336.486 3.555 20 0 EHADRM O=C(N[C@@H]1CC[C@@H](Cc2ccccc2)C1)c1cc(F)c([O-])c(F)c1 ZINC000438686588 1022914258 /nfs/dbraw/zinc/91/42/58/1022914258.db2.gz OWKXBZVPVMIHCQ-DZGCQCFKSA-N -1 0 331.362 3.812 20 0 EHADRM Cc1nc(CNCc2ccccc2OC2CCCC2)sc1C(=O)[O-] ZINC000426688807 1022977847 /nfs/dbraw/zinc/97/78/47/1022977847.db2.gz WYOUUTZMRFDHPG-UHFFFAOYSA-N -1 0 346.452 3.761 20 0 EHADRM CO[C@H](C)c1nc(=Nc2ccc(OCC(F)(F)F)c(C)c2)s[n-]1 ZINC000509547026 1023024785 /nfs/dbraw/zinc/02/47/85/1023024785.db2.gz XYFILLXABCFSIG-SECBINFHSA-N -1 0 347.362 3.661 20 0 EHADRM Cc1ccc(CN[C@@H](C(=O)[O-])c2c(Cl)cccc2Cl)nc1 ZINC000426761079 1023031293 /nfs/dbraw/zinc/03/12/93/1023031293.db2.gz XJIBVEZFNYFSLJ-CQSZACIVSA-N -1 0 325.195 3.612 20 0 EHADRM O=C([O-])[C@@H](NCc1csc(-c2cccs2)n1)c1ccsc1 ZINC000426783792 1023043116 /nfs/dbraw/zinc/04/31/16/1023043116.db2.gz NVIYXOVNCKAZID-LBPRGKRZSA-N -1 0 336.463 3.849 20 0 EHADRM O=C([O-])[C@@H](NCc1nc(-c2ccccc2)cs1)c1cccc(F)c1 ZINC000426799634 1023055978 /nfs/dbraw/zinc/05/59/78/1023055978.db2.gz JBPKDCLSQPNAEG-KRWDZBQOSA-N -1 0 342.395 3.865 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000471900417 1023056143 /nfs/dbraw/zinc/05/61/43/1023056143.db2.gz FEJGTRLTHQMHOV-UHFFFAOYSA-N -1 0 348.399 3.897 20 0 EHADRM Cc1cc2cccnc2c([N-]S(=O)(=O)c2cc(C)c(F)cc2F)c1 ZINC000506994089 1023069315 /nfs/dbraw/zinc/06/93/15/1023069315.db2.gz DXTNEDCUPSBLMI-UHFFFAOYSA-N -1 0 348.374 3.931 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@H](C)Cc2ccccc2C(F)(F)F)s[n-]1 ZINC000509577849 1023075339 /nfs/dbraw/zinc/07/53/39/1023075339.db2.gz CIHWULKGAMNFNV-ZJUUUORDSA-N -1 0 345.390 3.729 20 0 EHADRM O=C(Nc1cccc(-n2cccc2)c1)c1nn(-c2ccccc2)cc1[O-] ZINC000438930397 1023160736 /nfs/dbraw/zinc/16/07/36/1023160736.db2.gz LOZGZTOGTCTDOU-UHFFFAOYSA-N -1 0 344.374 3.621 20 0 EHADRM CN(C)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000438975529 1023186559 /nfs/dbraw/zinc/18/65/59/1023186559.db2.gz FKOPTFGAMXITKY-UHFFFAOYSA-N -1 0 345.251 3.860 20 0 EHADRM O=C(Nc1ccc2nnc(C3CCC3)n2c1)c1ccc([O-])c(Cl)c1 ZINC000190290529 1023190842 /nfs/dbraw/zinc/19/08/42/1023190842.db2.gz WYNYUFZWQSKJIU-UHFFFAOYSA-N -1 0 342.786 3.608 20 0 EHADRM Cn1cnc2cc([N-]S(=O)(=O)c3ccc(C(C)(C)C)s3)ccc21 ZINC000438996408 1023207951 /nfs/dbraw/zinc/20/79/51/1023207951.db2.gz FMYJILRLHJIJHM-UHFFFAOYSA-N -1 0 349.481 3.733 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc3[nH]cnc32)s1 ZINC000439017688 1023222548 /nfs/dbraw/zinc/22/25/48/1023222548.db2.gz IMIBEDNVISEKMI-UHFFFAOYSA-N -1 0 335.454 3.723 20 0 EHADRM CN(C)[C@H](CN=c1[n-]c(-c2cccc(Cl)c2)no1)c1ccsc1 ZINC000593994117 1033118262 /nfs/dbraw/zinc/11/82/62/1033118262.db2.gz BHXKBAPUBHUSEI-CQSZACIVSA-N -1 0 348.859 3.588 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)Nc2ccc(C(=O)[O-])c(OC)c2)cc1 ZINC000455863513 1033130341 /nfs/dbraw/zinc/13/03/41/1033130341.db2.gz PTGVDCHDDJXYNJ-GFCCVEGCSA-N -1 0 327.380 3.698 20 0 EHADRM Cc1ccc(C)c(C(=O)NCC[C@H](C)c2ccccc2)c1C(=O)[O-] ZINC000326028049 1033130911 /nfs/dbraw/zinc/13/09/11/1033130911.db2.gz VIAKWFPENFYYPX-ZDUSSCGKSA-N -1 0 325.408 3.925 20 0 EHADRM CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1N=c1nc(C2CC2)[n-]s1 ZINC000343800020 1033131258 /nfs/dbraw/zinc/13/12/58/1033131258.db2.gz BOBCIJSWAGYSFW-OWCLPIDISA-N -1 0 329.469 3.601 20 0 EHADRM O=S(=O)([N-]c1cccc2cc[nH]c21)c1ccccc1-c1ccno1 ZINC000548477628 1023445600 /nfs/dbraw/zinc/44/56/00/1023445600.db2.gz NIZQYDLLDVSISD-UHFFFAOYSA-N -1 0 339.376 3.624 20 0 EHADRM O=C(c1ccc(Br)c(O)c1)N1CCC[C@H]1C1CCCC1 ZINC000137693718 1023507316 /nfs/dbraw/zinc/50/73/16/1023507316.db2.gz BPZJVKOVFSUQOK-AWEZNQCLSA-N -1 0 338.245 3.950 20 0 EHADRM O=C(NCc1ccnc(OC2CCCCC2)c1)c1cccc(F)c1[O-] ZINC001125554101 1023526557 /nfs/dbraw/zinc/52/65/57/1023526557.db2.gz CVWVTMBIPLOFIS-UHFFFAOYSA-N -1 0 344.386 3.568 20 0 EHADRM CCOCCCSc1n[n-]c(=Nc2ccccc2OCC)s1 ZINC000607436754 1033141061 /nfs/dbraw/zinc/14/10/61/1033141061.db2.gz WRKGVKUJNPNINK-UHFFFAOYSA-N -1 0 339.486 3.621 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1ccc(S(=O)(=O)C(C)C)cc1 ZINC001211623098 1033158415 /nfs/dbraw/zinc/15/84/15/1033158415.db2.gz XLUAWBUTHQUMHZ-UHFFFAOYSA-N -1 0 333.409 3.619 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N(C)Cc2ccc(C)s2)s1 ZINC000342065127 1023815330 /nfs/dbraw/zinc/81/53/30/1023815330.db2.gz PLEWVYLHLHAJKV-UHFFFAOYSA-N -1 0 338.502 3.897 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)c2ccc3[n-]c(=S)oc3c2)n1 ZINC000167344344 1024010760 /nfs/dbraw/zinc/01/07/60/1024010760.db2.gz KHGOGXYJLBKCMM-OAHLLOKOSA-N -1 0 339.420 3.797 20 0 EHADRM CN(Cc1cc(F)c(F)c(F)c1)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000192455104 1024015307 /nfs/dbraw/zinc/01/53/07/1024015307.db2.gz JCIXDQSOBPKIJQ-UHFFFAOYSA-N -1 0 347.695 3.874 20 0 EHADRM Cc1nn(-c2ccccc2)cc1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000192458441 1024015914 /nfs/dbraw/zinc/01/59/14/1024015914.db2.gz DXUSLQMSITUOIW-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM O=S(=O)([N-]c1cccc2[nH]ccc21)c1ccccc1C(F)(F)F ZINC000508446871 1024034476 /nfs/dbraw/zinc/03/44/76/1024034476.db2.gz AXGKJFQTDQOTME-UHFFFAOYSA-N -1 0 340.326 3.988 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NCc1cccc2c1OCCO2 ZINC000417561462 1024044320 /nfs/dbraw/zinc/04/43/20/1024044320.db2.gz DIVOTWZBIKMSAN-UHFFFAOYSA-N -1 0 343.379 3.555 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1cc(C)n(C2CCCCC2)n1 ZINC000329705800 1024109254 /nfs/dbraw/zinc/10/92/54/1024109254.db2.gz JPNKUTYCOZQVFV-UHFFFAOYSA-N -1 0 339.486 3.867 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000191507971 1024114573 /nfs/dbraw/zinc/11/45/73/1024114573.db2.gz KREWGJZVKOEQOW-CQSZACIVSA-N -1 0 335.419 3.546 20 0 EHADRM COc1ccc(-c2cc(C)c(SCC(=O)[O-])cc2C)c(CO)c1 ZINC000657208025 1024128631 /nfs/dbraw/zinc/12/86/31/1024128631.db2.gz XAJWIZBFRZMXNV-UHFFFAOYSA-N -1 0 332.421 3.648 20 0 EHADRM COCCCOc1ccc(-c2ccc(F)c(C(=O)[O-])c2OC)cc1 ZINC000657207277 1024130787 /nfs/dbraw/zinc/13/07/87/1024130787.db2.gz LUDRYGIMUKVRCL-UHFFFAOYSA-N -1 0 334.343 3.615 20 0 EHADRM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(F)(F)F ZINC000443931824 1024139345 /nfs/dbraw/zinc/13/93/45/1024139345.db2.gz WYAZXRMTKIZHTB-RDDDGLTNSA-N -1 0 347.761 3.734 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)C=Cc2ccccc2Cl)c2n[nH]cc21 ZINC000727362852 1024139907 /nfs/dbraw/zinc/13/99/07/1024139907.db2.gz VMRDBXZYCWINSF-HJWRWDBZSA-N -1 0 347.827 3.937 20 0 EHADRM CC[C@H](C)[C@@H](NS(=O)(=O)c1cc(C)c(C)s1)C(F)(F)F ZINC000443946050 1024143272 /nfs/dbraw/zinc/14/32/72/1024143272.db2.gz XMODBULTFGNSAU-WRWORJQWSA-N -1 0 329.409 3.620 20 0 EHADRM Cc1cccc2[nH]cc(CC(=O)Nc3cc(C(=O)[O-])c(C)cc3C)c21 ZINC000472001928 1024211245 /nfs/dbraw/zinc/21/12/45/1024211245.db2.gz JTRTXGYTYMDSGQ-UHFFFAOYSA-N -1 0 336.391 3.973 20 0 EHADRM C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1cc(F)ccc1O ZINC000094130395 1024217428 /nfs/dbraw/zinc/21/74/28/1024217428.db2.gz YCOHQZXTBBSWPQ-GTNSWQLSSA-N -1 0 349.789 3.787 20 0 EHADRM CN=c1[n-]nc(SCc2nc(-c3ccc(C)cc3)cs2)s1 ZINC000505448543 1024225288 /nfs/dbraw/zinc/22/52/88/1024225288.db2.gz BJHDPFBYVBTTMC-UHFFFAOYSA-N -1 0 334.495 3.726 20 0 EHADRM CSc1ccccc1[N-]S(=O)(=O)c1c(C)nn(C(C)C)c1C ZINC000522360119 1024340766 /nfs/dbraw/zinc/34/07/66/1024340766.db2.gz XBCJKWHOARVMIK-UHFFFAOYSA-N -1 0 339.486 3.604 20 0 EHADRM CC[C@H](C(=O)[N-]OCc1ccccn1)c1ccc(Br)cc1 ZINC000909517906 1024341456 /nfs/dbraw/zinc/34/14/56/1024341456.db2.gz OTOKYRXBPVDREJ-HNNXBMFYSA-N -1 0 349.228 3.586 20 0 EHADRM FC(F)(F)c1cccc(CN=c2[n-]nc(Cc3ccsc3)o2)c1 ZINC000346104817 1024389323 /nfs/dbraw/zinc/38/93/23/1024389323.db2.gz MWJGEWOWLYAMAU-UHFFFAOYSA-N -1 0 339.342 3.775 20 0 EHADRM Cc1nc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)c[nH]1 ZINC000320502988 1024389326 /nfs/dbraw/zinc/38/93/26/1024389326.db2.gz XEQBQFVIOHARLC-UHFFFAOYSA-N -1 0 345.449 3.670 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cn(C)nc2C(C)C)c1C ZINC000280890482 1024403715 /nfs/dbraw/zinc/40/37/15/1024403715.db2.gz FAMYPQVTLWXGDY-UHFFFAOYSA-N -1 0 335.473 3.578 20 0 EHADRM Cc1cc(NC(=O)Cc2c(F)cccc2Cl)cc(C(=O)[O-])c1C ZINC000320592544 1024480101 /nfs/dbraw/zinc/48/01/01/1024480101.db2.gz VZLDEDAODIXCDQ-UHFFFAOYSA-N -1 0 335.762 3.975 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)NCc1ccc(C(=O)[O-])s1 ZINC000425240426 1024500493 /nfs/dbraw/zinc/50/04/93/1024500493.db2.gz AAPDPDXBCIMTMX-ZDUSSCGKSA-N -1 0 331.437 3.640 20 0 EHADRM Cc1ccc(C2CC2)c(C(=O)NC[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000425242625 1024507664 /nfs/dbraw/zinc/50/76/64/1024507664.db2.gz PECHZTGXAVXCBX-QGZVFWFLSA-N -1 0 337.419 3.546 20 0 EHADRM O=C(Nc1ccc2ccccc2n1)c1cccc(Br)c1[O-] ZINC000520716795 1024511747 /nfs/dbraw/zinc/51/17/47/1024511747.db2.gz BSAWKKFECGXXQZ-UHFFFAOYSA-N -1 0 343.180 3.955 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2F)ccc1OC(C)C ZINC000607616635 1033217053 /nfs/dbraw/zinc/21/70/53/1033217053.db2.gz BZUWDVDMNUBXMG-UHFFFAOYSA-N -1 0 341.379 3.861 20 0 EHADRM Cc1ccc(Oc2ccccc2)c([N-]S(=O)(=O)CCOC(C)C)c1 ZINC000441755149 1024539908 /nfs/dbraw/zinc/53/99/08/1024539908.db2.gz RRJHDOZSRAEKOO-UHFFFAOYSA-N -1 0 349.452 3.954 20 0 EHADRM O=S(=O)([N-]c1noc2ccc(Cl)cc21)c1ccc(F)cc1F ZINC000427633848 1024565627 /nfs/dbraw/zinc/56/56/27/1024565627.db2.gz NGCHCASRITYEBZ-UHFFFAOYSA-N -1 0 344.726 3.560 20 0 EHADRM CC[C@H](c1n[n-]c(=NC(=O)NCC(C)(C)C)s1)c1ccccc1 ZINC000520740222 1024583887 /nfs/dbraw/zinc/58/38/87/1024583887.db2.gz FEUSHGNRLDVDEF-ZDUSSCGKSA-N -1 0 332.473 3.670 20 0 EHADRM O=S(=O)([N-]c1cccc(CCC(F)(F)F)c1)c1cncc(F)c1 ZINC000441769537 1024591628 /nfs/dbraw/zinc/59/16/28/1024591628.db2.gz XUICSOMWRZFCFE-UHFFFAOYSA-N -1 0 348.321 3.516 20 0 EHADRM Cc1n[n-]c(=NCc2ccc(-c3ccc(F)cc3C)o2)n1C1CC1 ZINC000340701039 1024600224 /nfs/dbraw/zinc/60/02/24/1024600224.db2.gz RQKXIAKDHVLWRE-UHFFFAOYSA-N -1 0 326.375 3.663 20 0 EHADRM Cc1cc(-c2ncccc2NC(=O)NCCCCCC(=O)[O-])cs1 ZINC000417767182 1024603318 /nfs/dbraw/zinc/60/33/18/1024603318.db2.gz CRCPVPSSADYGNQ-UHFFFAOYSA-N -1 0 347.440 3.885 20 0 EHADRM CCCCOc1ccc(CN=c2[n-]nc(C)n2C2CC2)cc1OCC ZINC000340701955 1024606405 /nfs/dbraw/zinc/60/64/05/1024606405.db2.gz FNEAMEBHNUBNOL-UHFFFAOYSA-N -1 0 344.459 3.533 20 0 EHADRM CC(C)Oc1ccc(Cl)cc1NC(=O)NCCCCCC(=O)[O-] ZINC000417771139 1024627197 /nfs/dbraw/zinc/62/71/97/1024627197.db2.gz GIRWFIYJMLTXOW-UHFFFAOYSA-N -1 0 342.823 3.894 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)C[C@@H]2CCC3(CCC3)CO2)cc1)C(=O)[O-] ZINC000909525200 1024661920 /nfs/dbraw/zinc/66/19/20/1024661920.db2.gz WFPTWLKDCPHXNG-YOEHRIQHSA-N -1 0 345.439 3.628 20 0 EHADRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1cccc(F)c1C ZINC000548611684 1024709466 /nfs/dbraw/zinc/70/94/66/1024709466.db2.gz DEQARRGYDCVIMR-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM COCc1cc(NC(=O)c2sccc2SC)cc(C(=O)[O-])c1 ZINC000427664859 1024712482 /nfs/dbraw/zinc/71/24/82/1024712482.db2.gz UHJPJVIVQQZQSS-UHFFFAOYSA-N -1 0 337.422 3.567 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)CC2CCC(C(=O)[O-])CC2)c(C)c1 ZINC000563201664 1024767202 /nfs/dbraw/zinc/76/72/02/1024767202.db2.gz NDRCPOXCAGGXFA-GTPINHCMSA-N -1 0 331.456 3.632 20 0 EHADRM O=C([O-])CCC/C(=C/c1cnccn1)c1nc2ccccc2s1 ZINC000514816147 1024774820 /nfs/dbraw/zinc/77/48/20/1024774820.db2.gz ICTXOOWQQSIHSV-BENRWUELSA-N -1 0 325.393 3.882 20 0 EHADRM Cc1c(C(=O)[O-])sc2ncnc(N3CCc4cc(C)ccc4C3)c12 ZINC000563204227 1024805530 /nfs/dbraw/zinc/80/55/30/1024805530.db2.gz KMAXJSXQRVUDCM-UHFFFAOYSA-N -1 0 339.420 3.569 20 0 EHADRM C[C@@H](NC(=O)N([C@@H](C)C(=O)[O-])C1CCC1)c1cc2ccccc2o1 ZINC000684714090 1024895727 /nfs/dbraw/zinc/89/57/27/1024895727.db2.gz JIQPWNXIEVPMHO-NEPJUHHUSA-N -1 0 330.384 3.531 20 0 EHADRM C[C@]([N-]S(=O)(=O)c1ccsc1)(c1ccccc1)C(F)(F)F ZINC000508191956 1024945116 /nfs/dbraw/zinc/94/51/16/1024945116.db2.gz CWVCNDVBKYRFJQ-LBPRGKRZSA-N -1 0 335.372 3.504 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(C3CCCCC3)[nH]n2)c1 ZINC000474428135 1024961480 /nfs/dbraw/zinc/96/14/80/1024961480.db2.gz CUTJGHBKEKBCJH-UHFFFAOYSA-N -1 0 337.420 3.706 20 0 EHADRM CC(C)n1cc(S(=O)(=O)[N-]c2ccccc2SC(F)F)cn1 ZINC000157574987 1024962391 /nfs/dbraw/zinc/96/23/91/1024962391.db2.gz OHDCRMPQSFHPPN-UHFFFAOYSA-N -1 0 347.412 3.580 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)[nH]n2)cc1C ZINC000474433998 1024965858 /nfs/dbraw/zinc/96/58/58/1024965858.db2.gz PIHYWGYRBPCJDZ-UHFFFAOYSA-N -1 0 349.456 3.575 20 0 EHADRM CN(C)c1ccc(C(=O)Nc2cc(F)cc(Cl)c2[O-])c(F)c1 ZINC000474438215 1024972969 /nfs/dbraw/zinc/97/29/69/1024972969.db2.gz QWJSUSXPQOAIOI-UHFFFAOYSA-N -1 0 326.730 3.642 20 0 EHADRM COc1c(F)ccc(F)c1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474444063 1024978393 /nfs/dbraw/zinc/97/83/93/1024978393.db2.gz GIPJPXBKZPPFSY-UHFFFAOYSA-N -1 0 331.677 3.724 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1cc2c(c(Cl)c1)OCO2 ZINC000474446309 1024981255 /nfs/dbraw/zinc/98/12/55/1024981255.db2.gz OKURWBMGXWKGKB-UHFFFAOYSA-N -1 0 344.125 3.819 20 0 EHADRM Cc1ccc(Nc2ncccc2[N-]S(=O)(=O)c2ccsc2)cc1 ZINC000508237907 1024988745 /nfs/dbraw/zinc/98/87/45/1024988745.db2.gz FIGRJXSGCZAKFF-UHFFFAOYSA-N -1 0 345.449 3.996 20 0 EHADRM CC(C)Oc1ccc(NC(=O)c2c(F)ccc(O)c2F)c(F)c1 ZINC000515074930 1024996911 /nfs/dbraw/zinc/99/69/11/1024996911.db2.gz LSDFPJHIGRRFPV-UHFFFAOYSA-N -1 0 325.286 3.849 20 0 EHADRM COc1ccccc1[C@H](N=c1[n-]nc(C)o1)c1ccccc1Cl ZINC000342344929 1025000246 /nfs/dbraw/zinc/00/02/46/1025000246.db2.gz FMFZBYSYSUKFIZ-MRXNPFEDSA-N -1 0 329.787 3.663 20 0 EHADRM CCc1oc(C(=O)N[C@](C)(Cc2ccccc2)C2CC2)cc1C(=O)[O-] ZINC000515073907 1025011247 /nfs/dbraw/zinc/01/12/47/1025011247.db2.gz LUQHNRHLORBUTE-HXUWFJFHSA-N -1 0 341.407 3.681 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)N(C)[C@@H](CC(C)C)C(=O)[O-] ZINC000684724456 1025030236 /nfs/dbraw/zinc/03/02/36/1025030236.db2.gz ZTQJGGHTMHMEJW-HIFRSBDPSA-N -1 0 346.427 3.943 20 0 EHADRM CCN(CC(=O)[O-])C(=O)Nc1cccc(CSC2CCCC2)c1 ZINC000582022033 1025042919 /nfs/dbraw/zinc/04/29/19/1025042919.db2.gz ISGHRFLAASPUCT-UHFFFAOYSA-N -1 0 336.457 3.801 20 0 EHADRM C[C@@H](Sc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000013177500 1025071825 /nfs/dbraw/zinc/07/18/25/1025071825.db2.gz NLYICYKREBBQED-WBMJQRKESA-N -1 0 347.411 3.639 20 0 EHADRM COc1cc(C)c([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1C ZINC000435730519 1025098362 /nfs/dbraw/zinc/09/83/62/1025098362.db2.gz HNYBGAPBALJRGU-UHFFFAOYSA-N -1 0 345.342 3.530 20 0 EHADRM CC(C)CO[C@@H]1CCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000582067625 1025149419 /nfs/dbraw/zinc/14/94/19/1025149419.db2.gz BTJVNUAWJYWKRV-DOMZBBRYSA-N -1 0 346.254 3.866 20 0 EHADRM Cc1coc(-c2cccc(NC(=O)C34CCC(C(=O)[O-])(CC3)C4)c2)n1 ZINC000909551624 1025158759 /nfs/dbraw/zinc/15/87/59/1025158759.db2.gz JIGISKSVRQPFEG-UHFFFAOYSA-N -1 0 340.379 3.624 20 0 EHADRM O=C([O-])[C@H]1CCCCCN1C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000684745721 1025222325 /nfs/dbraw/zinc/22/23/25/1025222325.db2.gz LPVTYMRLZPRVRK-CQSZACIVSA-N -1 0 343.383 3.566 20 0 EHADRM O=C([O-])[C@@H]1CCCCCN1C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000684748427 1025254759 /nfs/dbraw/zinc/25/47/59/1025254759.db2.gz LQGSWBPBJLMRLV-ZDUSSCGKSA-N -1 0 344.333 3.653 20 0 EHADRM CCCN(C(=O)Nc1ccc(OCC2CC2)cc1)[C@@H](CC)C(=O)[O-] ZINC000684750340 1025271930 /nfs/dbraw/zinc/27/19/30/1025271930.db2.gz XXPZLWKGCYSPQI-INIZCTEOSA-N -1 0 334.416 3.583 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)c(O)c1 ZINC000436023468 1025306251 /nfs/dbraw/zinc/30/62/51/1025306251.db2.gz BHJATMGHONSWJJ-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM CCCCNc1ccc(C(F)(F)F)cc1NC(=O)CCC(=O)[O-] ZINC000582125556 1025345069 /nfs/dbraw/zinc/34/50/69/1025345069.db2.gz WTNYLJQZKURNNU-UHFFFAOYSA-N -1 0 332.322 3.721 20 0 EHADRM CC(C)(C)c1ccc(CNC(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC000262264119 1025350752 /nfs/dbraw/zinc/35/07/52/1025350752.db2.gz XELNLHVNEJPQIZ-UHFFFAOYSA-N -1 0 339.435 3.931 20 0 EHADRM O=c1nc(Cc2cccs2)[n-]c2c(-c3ccccc3)nsc21 ZINC000548685008 1025367340 /nfs/dbraw/zinc/36/73/40/1025367340.db2.gz ZCZRWFPUZVTFAL-UHFFFAOYSA-N -1 0 325.418 3.699 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)Nc1ccc(F)cc1OC1CCCC1 ZINC000909555894 1025382053 /nfs/dbraw/zinc/38/20/53/1025382053.db2.gz XRVQMWXHMKVTOW-UHFFFAOYSA-N -1 0 347.342 3.999 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]c1cccnc1C ZINC000346987178 1025387427 /nfs/dbraw/zinc/38/74/27/1025387427.db2.gz QGZYCILNJQLCAJ-UHFFFAOYSA-N -1 0 336.800 3.899 20 0 EHADRM CCSCCCc1nc(=O)c2snc(-c3ccccc3)c2[n-]1 ZINC000559543595 1025388853 /nfs/dbraw/zinc/38/88/53/1025388853.db2.gz REXVVHPFTHPCGO-UHFFFAOYSA-N -1 0 331.466 3.732 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000442746518 1025463766 /nfs/dbraw/zinc/46/37/66/1025463766.db2.gz ZZXVVQRRIABRTE-ZMLRMANQSA-N -1 0 344.238 3.809 20 0 EHADRM Cc1onc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c1C ZINC000451050725 1025471694 /nfs/dbraw/zinc/47/16/94/1025471694.db2.gz SIGWAKVTFJTDRU-UHFFFAOYSA-N -1 0 335.212 3.540 20 0 EHADRM Cc1onc([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)c1C ZINC000451050703 1025472023 /nfs/dbraw/zinc/47/20/23/1025472023.db2.gz SBTKLLTZBLHAMN-UHFFFAOYSA-N -1 0 335.212 3.540 20 0 EHADRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C)cc2)c1C1CC1 ZINC000536499567 1025478173 /nfs/dbraw/zinc/47/81/73/1025478173.db2.gz YZLHFHILKDYMRG-ZDUSSCGKSA-N -1 0 333.457 3.841 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nn(C3CCCCC3)cc2C)c(C)o1 ZINC000342441971 1025505869 /nfs/dbraw/zinc/50/58/69/1025505869.db2.gz UGMCSWYFMNNJHB-UHFFFAOYSA-N -1 0 337.445 3.707 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cc1-c1ccccc1)c1c[nH]cn1 ZINC000442845459 1025518054 /nfs/dbraw/zinc/51/80/54/1025518054.db2.gz XWAAFCQPWRUAGH-UHFFFAOYSA-N -1 0 333.800 3.531 20 0 EHADRM O=S(=O)([N-]c1cccc(Cl)c1)c1cnccc1C(F)(F)F ZINC000442840081 1025526546 /nfs/dbraw/zinc/52/65/46/1025526546.db2.gz VWBMGPSXCPMACL-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM C[C@H]1[C@@H](C(=O)[O-])CCN1c1ncnc2scc(-c3ccccc3)c21 ZINC000392024214 1025540391 /nfs/dbraw/zinc/54/03/91/1025540391.db2.gz VOESQCBLKFUETO-AAEUAGOBSA-N -1 0 339.420 3.658 20 0 EHADRM C[C@@H](CNC(=O)C[C@H](Cc1ccccc1)c1ccccc1)CC(=O)[O-] ZINC000262274440 1025557100 /nfs/dbraw/zinc/55/71/00/1025557100.db2.gz XGJMFYSOFIJIIM-APWZRJJASA-N -1 0 339.435 3.630 20 0 EHADRM C[C@H](c1ccccc1)N(C)C(=O)c1cccc(Br)c1[O-] ZINC000521648117 1025559816 /nfs/dbraw/zinc/55/98/16/1025559816.db2.gz LETKEUIPDGXPOL-LLVKDONJSA-N -1 0 334.213 3.988 20 0 EHADRM CCC[C@@H](NC(=O)Nc1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000582260172 1025700741 /nfs/dbraw/zinc/70/07/41/1025700741.db2.gz NHGSNDMFQZPUKG-GFCCVEGCSA-N -1 0 332.322 3.556 20 0 EHADRM CCCCOc1ccc(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)c(C)c1 ZINC000521841739 1025731606 /nfs/dbraw/zinc/73/16/06/1025731606.db2.gz IVPOQDRHVUWPBM-HNNXBMFYSA-N -1 0 348.443 3.893 20 0 EHADRM Cc1cccc(NC(=O)c2nn(-c3cccc(C(C)C)c3)cc2[O-])n1 ZINC000303837928 1025734196 /nfs/dbraw/zinc/73/41/96/1025734196.db2.gz BBPJFUNVWVADIK-UHFFFAOYSA-N -1 0 336.395 3.657 20 0 EHADRM CCCC[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000347265407 1025765080 /nfs/dbraw/zinc/76/50/80/1025765080.db2.gz JVJGHCIGKVYMDW-OBJOEFQTSA-N -1 0 343.345 3.569 20 0 EHADRM COC(=O)c1ccc(O)c(NC(=O)c2oc3c(cccc3C)c2C)c1 ZINC000436511428 1025807717 /nfs/dbraw/zinc/80/77/17/1025807717.db2.gz WBQUXRLXWNSGLR-UHFFFAOYSA-N -1 0 339.347 3.794 20 0 EHADRM COC[C@H](OC)c1noc(-c2cc(Cl)c3ccccc3c2[O-])n1 ZINC000896653631 1025810288 /nfs/dbraw/zinc/81/02/88/1025810288.db2.gz QSZQIIAHRYMEMH-ZDUSSCGKSA-N -1 0 334.759 3.583 20 0 EHADRM CN(C)c1cccc(CNC(=O)c2c([O-])cc(Cl)cc2Cl)c1 ZINC000436541909 1025871456 /nfs/dbraw/zinc/87/14/56/1025871456.db2.gz AKWCWKMABSNEGR-UHFFFAOYSA-N -1 0 339.222 3.695 20 0 EHADRM CC[C@@H](CCO)CNC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436571698 1025902763 /nfs/dbraw/zinc/90/27/63/1025902763.db2.gz BVZJXRXGLMJYCD-ZDUSSCGKSA-N -1 0 347.842 3.851 20 0 EHADRM COc1ccc(CNC(=O)c2c([O-])cc(Cl)cc2Cl)c(F)c1 ZINC000436571339 1025903763 /nfs/dbraw/zinc/90/37/63/1025903763.db2.gz AYTIRNHRJRYUJI-UHFFFAOYSA-N -1 0 344.169 3.777 20 0 EHADRM C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000522059417 1025928887 /nfs/dbraw/zinc/92/88/87/1025928887.db2.gz ANIHUXSNQVNXHO-DOMZBBRYSA-N -1 0 347.846 3.882 20 0 EHADRM CC(C)c1ccc(OCCNC(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000436637342 1025966694 /nfs/dbraw/zinc/96/66/94/1025966694.db2.gz XLUJUBJGOAYTTE-UHFFFAOYSA-N -1 0 335.350 3.603 20 0 EHADRM COc1c(C)cc(CN(C)C(=O)c2ccc([O-])c(Cl)c2)cc1C ZINC000436637517 1025967448 /nfs/dbraw/zinc/96/74/48/1025967448.db2.gz YVDOEOGOJIAIAA-UHFFFAOYSA-N -1 0 333.815 3.943 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2sc(C(F)(F)F)nc2C)c1 ZINC000436639636 1025970724 /nfs/dbraw/zinc/97/07/24/1025970724.db2.gz FDAPILMKFNKTEC-UHFFFAOYSA-N -1 0 344.314 3.631 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cncc(-c3ccccc3)c2)c1 ZINC000436674826 1026016837 /nfs/dbraw/zinc/01/68/37/1026016837.db2.gz JJVVAOQFUDSQPB-UHFFFAOYSA-N -1 0 332.359 3.909 20 0 EHADRM CC(C)n1cc(/C=C/c2nc(-c3ccccc3)ncc2C(=O)[O-])cn1 ZINC000443445161 1026050971 /nfs/dbraw/zinc/05/09/71/1026050971.db2.gz LVUNDXVVTNRJFO-CMDGGOBGSA-N -1 0 334.379 3.790 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000665327944 1026055991 /nfs/dbraw/zinc/05/59/91/1026055991.db2.gz AFPWTKRJYVACEK-BXUZGUMPSA-N -1 0 338.835 3.543 20 0 EHADRM Cc1nc([C@H](C)NC(=O)CCCSC(C)(C)C)sc1C(=O)[O-] ZINC000909504293 1026081262 /nfs/dbraw/zinc/08/12/62/1026081262.db2.gz ASISKGGSSLCNBB-JTQLQIEISA-N -1 0 344.502 3.639 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CC[C@](F)(c2ccccc2F)C1 ZINC000436716395 1026087921 /nfs/dbraw/zinc/08/79/21/1026087921.db2.gz AKSYNOLBLASHDS-QGZVFWFLSA-N -1 0 337.753 3.896 20 0 EHADRM O=C(Nc1ccc(Cn2cccn2)cc1)c1ccc(Cl)cc1[O-] ZINC000436721254 1026097045 /nfs/dbraw/zinc/09/70/45/1026097045.db2.gz IIIGLJKSJRXJKV-UHFFFAOYSA-N -1 0 327.771 3.543 20 0 EHADRM COc1cc(C)cnc1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000436724785 1026098558 /nfs/dbraw/zinc/09/85/58/1026098558.db2.gz UTPUSPUTUSRCPM-UHFFFAOYSA-N -1 0 327.167 3.663 20 0 EHADRM CC(C)Cn1ncc(NC(=O)c2cc(F)c([O-])c(F)c2)c1C1CC1 ZINC000436738167 1026103665 /nfs/dbraw/zinc/10/36/65/1026103665.db2.gz KSGMMDQMOPEAJY-UHFFFAOYSA-N -1 0 335.354 3.653 20 0 EHADRM c1cc(-c2nc3ccccc3s2)oc1CN=c1[n-]nc2ccccn21 ZINC000475083924 1026134587 /nfs/dbraw/zinc/13/45/87/1026134587.db2.gz XWAZLUNPDBUMCY-UHFFFAOYSA-N -1 0 347.403 3.633 20 0 EHADRM COc1cc(NC(=O)c2c([O-])cc(Cl)cc2Cl)cc(OC)c1 ZINC000436748784 1026137075 /nfs/dbraw/zinc/13/70/75/1026137075.db2.gz VLASGNVGQCUAAO-UHFFFAOYSA-N -1 0 342.178 3.969 20 0 EHADRM C[C@H](C(=O)[O-])N(C)C(=O)c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000342542204 1026213026 /nfs/dbraw/zinc/21/30/26/1026213026.db2.gz GIUSBUUOWAVEIG-LLVKDONJSA-N -1 0 333.771 3.677 20 0 EHADRM O=C(C[C@H](c1ncc[nH]1)c1ccccc1)Nc1cccc(Cl)c1[O-] ZINC000342556529 1026268169 /nfs/dbraw/zinc/26/81/69/1026268169.db2.gz MFXKUKMYKRSEKZ-ZDUSSCGKSA-N -1 0 341.798 3.929 20 0 EHADRM COc1ccc(CC(=O)Nc2cc(F)cc(Cl)c2[O-])c(F)c1 ZINC000444328511 1026317646 /nfs/dbraw/zinc/31/76/46/1026317646.db2.gz IFERRUNZHOJISX-UHFFFAOYSA-N -1 0 327.714 3.514 20 0 EHADRM C[C@@H](CCNC(=O)C[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000684881641 1026323001 /nfs/dbraw/zinc/32/30/01/1026323001.db2.gz NOCJUNBYCWEOCM-MAUKXSAKSA-N -1 0 325.408 3.555 20 0 EHADRM Cc1nn(CC(=O)Nc2cccc(Cl)c2[O-])cc1-c1ccccc1 ZINC000444333506 1026409108 /nfs/dbraw/zinc/40/91/08/1026409108.db2.gz ZFJPKXRTDAUZTM-UHFFFAOYSA-N -1 0 341.798 3.856 20 0 EHADRM CCCC[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000324880633 1026414379 /nfs/dbraw/zinc/41/43/79/1026414379.db2.gz QGSDIERTWZUOBR-KRWDZBQOSA-N -1 0 327.380 3.852 20 0 EHADRM CCC(C)(C)N(C)C(=O)N(CC(=O)[O-])Cc1c(F)cccc1Cl ZINC000684896335 1026453898 /nfs/dbraw/zinc/45/38/98/1026453898.db2.gz SVOALQDIPRMXCD-UHFFFAOYSA-N -1 0 344.814 3.606 20 0 EHADRM Cc1cc(NC(=O)c2ccc(OC(F)F)cc2)cc(C(=O)[O-])c1C ZINC000324917867 1026478549 /nfs/dbraw/zinc/47/85/49/1026478549.db2.gz RGOOEKQAWCKOEF-UHFFFAOYSA-N -1 0 335.306 3.855 20 0 EHADRM C[C@@H](NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)c1ccc(Cl)cc1 ZINC000324914002 1026486393 /nfs/dbraw/zinc/48/63/93/1026486393.db2.gz XZYPRUGVZKUNGQ-BFUOFWGJSA-N -1 0 345.826 3.950 20 0 EHADRM C[C@H](NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)c1ccccc1Cl ZINC000325011208 1026524607 /nfs/dbraw/zinc/52/46/07/1026524607.db2.gz BVUBFBZFLQFTQC-DJJJIMSYSA-N -1 0 345.826 3.950 20 0 EHADRM CC[C@H](C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-])c1ccccc1 ZINC000192888103 1026587809 /nfs/dbraw/zinc/58/78/09/1026587809.db2.gz GVMAJSGLCVMDIN-LPHOPBHVSA-N -1 0 339.435 3.930 20 0 EHADRM Cc1cc(C(=O)[O-])cc(N2CCc3cc(Br)cc(N)c32)c1 ZINC001211549019 1026597881 /nfs/dbraw/zinc/59/78/81/1026597881.db2.gz DMDKCECUITTYNG-UHFFFAOYSA-N -1 0 347.212 3.732 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(Cl)nc2C)c1 ZINC000193495594 1026664817 /nfs/dbraw/zinc/66/48/17/1026664817.db2.gz DTDSJKGIVOZSOC-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)c2occc2-c2ccccc2)C1 ZINC000261607882 1026668494 /nfs/dbraw/zinc/66/84/94/1026668494.db2.gz DAWHXLWJMHQVAM-LJQANCHMSA-N -1 0 327.380 3.520 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N(C)[C@H](C)C(C)(C)C)n1 ZINC000531228017 1026693171 /nfs/dbraw/zinc/69/31/71/1026693171.db2.gz PDCZISBQJIJZHE-CYBMUJFWSA-N -1 0 329.444 3.647 20 0 EHADRM CCCC[C@H](Sc1nnc(-c2ccc(OC)cc2)s1)C(=O)[O-] ZINC000563432709 1026928100 /nfs/dbraw/zinc/92/81/00/1026928100.db2.gz NUWOAWFYFGLFTC-LBPRGKRZSA-N -1 0 338.454 3.949 20 0 EHADRM CC(C)(C)n1cc(Nc2nn3cc(-c4cccnc4)nc3s2)cn1 ZINC000302064195 1027040898 /nfs/dbraw/zinc/04/08/98/1027040898.db2.gz CJIJGUOHXNFRFJ-UHFFFAOYSA-N -1 0 339.428 3.548 20 0 EHADRM CC(C)C(=O)Nc1cccc(NC(=O)CC2(C(=O)[O-])CCCCC2)c1 ZINC000027056567 1027195057 /nfs/dbraw/zinc/19/50/57/1027195057.db2.gz PKEVBZQIQSZBTB-UHFFFAOYSA-N -1 0 346.427 3.645 20 0 EHADRM Cc1cc(C(=O)N=c2[n-]nc(C(C)(C)c3ccccc3)s2)oc1C ZINC000531754270 1027279002 /nfs/dbraw/zinc/27/90/02/1027279002.db2.gz AETAEKQGCKWROY-UHFFFAOYSA-N -1 0 341.436 3.748 20 0 EHADRM CCOc1ccccc1N=c1[n-]nc(SCC(F)(F)F)s1 ZINC000501556502 1027366319 /nfs/dbraw/zinc/36/63/19/1027366319.db2.gz YXFIEUKBRRWEIT-UHFFFAOYSA-N -1 0 335.376 3.757 20 0 EHADRM O=C([O-])[C@@]1(C(F)(F)F)CCN(C(=O)CCCC2CCCCC2)C1 ZINC000261815669 1027378213 /nfs/dbraw/zinc/37/82/13/1027378213.db2.gz WEMCJPPMBUBGPF-OAHLLOKOSA-N -1 0 335.366 3.603 20 0 EHADRM CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1cc([S-])cc([S-])c1 ZINC001167944316 1027666524 /nfs/dbraw/zinc/66/65/24/1027666524.db2.gz DHAILIFLUWTUON-AWEZNQCLSA-N -1 0 342.530 3.515 20 0 EHADRM Cc1csc(N2CCC(Nc3cccc(CCC(=O)[O-])c3)CC2)n1 ZINC000414649916 1027697136 /nfs/dbraw/zinc/69/71/36/1027697136.db2.gz FDKOQFAAFGYTBR-UHFFFAOYSA-N -1 0 345.468 3.550 20 0 EHADRM CC[C@H](NC(=O)CC1(C(=O)[O-])CCCCC1)c1ccc(F)cc1F ZINC000523105151 1027706610 /nfs/dbraw/zinc/70/66/10/1027706610.db2.gz DRQLHGHYUHSMFB-HNNXBMFYSA-N -1 0 339.382 3.957 20 0 EHADRM O=C(CCC(=O)c1csc2ccccc12)Nc1ccncc1O ZINC000131989045 1027845711 /nfs/dbraw/zinc/84/57/11/1027845711.db2.gz ZKPKJQFLTWIPPS-UHFFFAOYSA-N -1 0 326.377 3.604 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@@H](c2ccccc2)c2cccc(F)c2)CCC1 ZINC000262549152 1027949960 /nfs/dbraw/zinc/94/99/60/1027949960.db2.gz SRZHMZWSLLLINB-SFHVURJKSA-N -1 0 341.382 3.676 20 0 EHADRM O=C(Cc1[nH]nc2ccccc21)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000503645836 1027996481 /nfs/dbraw/zinc/99/64/81/1027996481.db2.gz BWUNGSAQIJJXCM-UHFFFAOYSA-N -1 0 336.178 3.757 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)c1ccccc1SC(F)(F)F ZINC000321864539 1028012874 /nfs/dbraw/zinc/01/28/74/1028012874.db2.gz GEYRYMOKVABWEF-RISCZKNCSA-N -1 0 347.358 3.672 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)NCc1cc(F)cc(F)c1)C1CCCCC1 ZINC000523297630 1028120548 /nfs/dbraw/zinc/12/05/48/1028120548.db2.gz CWNWWKHFTMVOSE-SFHVURJKSA-N -1 0 339.382 3.642 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)nn1C(C)C ZINC000421180159 1028158416 /nfs/dbraw/zinc/15/84/16/1028158416.db2.gz FBLNXCMKOMCHEK-UHFFFAOYSA-N -1 0 345.827 3.674 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)nn1C(C)C ZINC000421188232 1028164582 /nfs/dbraw/zinc/16/45/82/1028164582.db2.gz XEXUVORRNKEOKI-UHFFFAOYSA-N -1 0 341.502 3.932 20 0 EHADRM CCOc1ncccc1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000614843469 1028170475 /nfs/dbraw/zinc/17/04/75/1028170475.db2.gz VPIFGYRCCOAGON-UHFFFAOYSA-N -1 0 334.441 3.515 20 0 EHADRM COC[C@@H](NC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1)c1ccccc1 ZINC000237173196 1028189946 /nfs/dbraw/zinc/18/99/46/1028189946.db2.gz ZCKTVNRGJVARIX-XLIONFOSSA-N -1 0 347.455 3.552 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2ccc(N3CCOCC3)cc2)c1 ZINC001211962727 1028215883 /nfs/dbraw/zinc/21/58/83/1028215883.db2.gz NQCMRCMPSPZRLW-UHFFFAOYSA-N -1 0 332.787 3.618 20 0 EHADRM CC(C)(C)c1ncc(/C=C(\CC(=O)[O-])c2nc3ccccc3o2)cn1 ZINC000560870973 1028217729 /nfs/dbraw/zinc/21/77/29/1028217729.db2.gz YIOYOJZWTAPWBX-MDWZMJQESA-N -1 0 337.379 3.931 20 0 EHADRM CCCCN(CC)c1ccc(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000532694911 1028223733 /nfs/dbraw/zinc/22/37/33/1028223733.db2.gz HGUJJWXVCWIBEV-INIZCTEOSA-N -1 0 346.471 3.640 20 0 EHADRM CCCOc1ccc([N-]S(=O)(=O)c2c(C)noc2C)cc1Cl ZINC000055652305 1028282930 /nfs/dbraw/zinc/28/29/30/1028282930.db2.gz HSKKSKMNEDFHJN-UHFFFAOYSA-N -1 0 344.820 3.534 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2ccc(-n3ccccc3=O)cc2)c1 ZINC001211967047 1028328101 /nfs/dbraw/zinc/32/81/01/1028328101.db2.gz SRDUTBLFJCCYHZ-UHFFFAOYSA-N -1 0 340.766 3.933 20 0 EHADRM COc1ccc(Br)c(Nc2cccc(C(=O)[O-])c2C)n1 ZINC001216657449 1028338369 /nfs/dbraw/zinc/33/83/69/1028338369.db2.gz ATHWYKNVUKIPCC-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM [O-]c1nnn(-c2ccccc2)c1CN1CCC[C@H]1/C=C/c1ccccc1 ZINC000504019341 1028340771 /nfs/dbraw/zinc/34/07/71/1028340771.db2.gz GKKHBMUUCMGBHI-JKGDOXCYSA-N -1 0 346.434 3.651 20 0 EHADRM CC(C)COc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000614863653 1028361634 /nfs/dbraw/zinc/36/16/34/1028361634.db2.gz QNUYHEANEIKJHX-UHFFFAOYSA-N -1 0 341.379 3.800 20 0 EHADRM c1ccc(-c2nc(=N[C@H](c3ccccc3)[C@H]3CCCO3)s[n-]2)cc1 ZINC000504060637 1028373432 /nfs/dbraw/zinc/37/34/32/1028373432.db2.gz SFKCBSPAPAGWQD-IAGOWNOFSA-N -1 0 337.448 3.959 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000237348754 1028378571 /nfs/dbraw/zinc/37/85/71/1028378571.db2.gz QCOALDJYTOQYAK-HOCLYGCPSA-N -1 0 335.419 3.640 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCCN(c2ccccc2)CC1 ZINC000121593397 1028403876 /nfs/dbraw/zinc/40/38/76/1028403876.db2.gz CKLMLFZTYNIWKF-UHFFFAOYSA-N -1 0 348.805 3.537 20 0 EHADRM C[C@@H]1C[C@@H](CC(F)(F)F)[C@@H](C)N1C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000630322408 1028434173 /nfs/dbraw/zinc/43/41/73/1028434173.db2.gz RYVNYXOUJRTIEL-AYZDXNEBSA-N -1 0 349.393 3.845 20 0 EHADRM Cc1ccc(F)cc1-c1nnc(NC(=O)c2cnc(C3CC3)o2)s1 ZINC000640248865 1028444412 /nfs/dbraw/zinc/44/44/12/1028444412.db2.gz LFFHJKIHOXLTGF-UHFFFAOYSA-N -1 0 344.371 3.770 20 0 EHADRM O=C([O-])C1(CNC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)CCCCC1 ZINC000261841462 1028513105 /nfs/dbraw/zinc/51/31/05/1028513105.db2.gz ITRNPCZOCPHLNQ-NWDGAFQWSA-N -1 0 335.366 3.506 20 0 EHADRM CN1CCCN(C(=O)c2cc(F)c([O-])c(Cl)c2)c2ccccc21 ZINC000194736788 1028546978 /nfs/dbraw/zinc/54/69/78/1028546978.db2.gz OKGCXGQOPFANIM-UHFFFAOYSA-N -1 0 334.778 3.671 20 0 EHADRM CC(C)COCCC(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000236610780 1028559513 /nfs/dbraw/zinc/55/95/13/1028559513.db2.gz FQQZYTQKQMGDND-QGZVFWFLSA-N -1 0 349.471 3.679 20 0 EHADRM CC(C)(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000523729368 1028572339 /nfs/dbraw/zinc/57/23/39/1028572339.db2.gz SAZGHJXUNRVBRN-UHFFFAOYSA-N -1 0 341.379 3.943 20 0 EHADRM CCC[C@](C)(NC(=O)CC(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000236796685 1028580031 /nfs/dbraw/zinc/58/00/31/1028580031.db2.gz ODOOIDVPAHNFMN-NRFANRHFSA-N -1 0 339.435 3.968 20 0 EHADRM CCC[C@](C)(NC(=O)[C@H](C)Oc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000236825268 1028589820 /nfs/dbraw/zinc/58/98/20/1028589820.db2.gz YMWOKVMFWAKYQN-VFZGTOFNSA-N -1 0 348.226 3.520 20 0 EHADRM Cn1ncc([N-]S(=O)(=O)c2ccccc2Cl)c1-c1ccccc1 ZINC000074563315 1028623624 /nfs/dbraw/zinc/62/36/24/1028623624.db2.gz IWRUMKFNJIYEOL-UHFFFAOYSA-N -1 0 347.827 3.541 20 0 EHADRM CCc1ccc(CCC(=O)N[C@H](CC(=O)[O-])c2ccccc2C)cc1 ZINC000237166256 1028641059 /nfs/dbraw/zinc/64/10/59/1028641059.db2.gz VBJDRCBUZQQSPT-LJQANCHMSA-N -1 0 339.435 3.822 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)Cc1cccc(Cl)c1 ZINC000237652776 1028658695 /nfs/dbraw/zinc/65/86/95/1028658695.db2.gz JEROEEVEZSNESN-INIZCTEOSA-N -1 0 331.799 3.523 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC2c3ccccc3Oc3ccccc32)o1 ZINC000238018277 1028673600 /nfs/dbraw/zinc/67/36/00/1028673600.db2.gz GJRANIYTHITNAT-UHFFFAOYSA-N -1 0 335.315 3.603 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000238086181 1028676120 /nfs/dbraw/zinc/67/61/20/1028676120.db2.gz HZYCYUQXVHPCAO-RYUDHWBXSA-N -1 0 347.773 3.848 20 0 EHADRM Cc1cc(=NC(=O)N2CCCC[C@@H]2c2ccc(F)cc2F)[n-]nc1C ZINC000532723382 1028744206 /nfs/dbraw/zinc/74/42/06/1028744206.db2.gz XGQGVQOZUAAHIW-MRXNPFEDSA-N -1 0 346.381 3.553 20 0 EHADRM O=C([O-])[C@H](Cc1ccco1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000583077546 1028747330 /nfs/dbraw/zinc/74/73/30/1028747330.db2.gz LABMOTAYWCVJIW-INIZCTEOSA-N -1 0 345.782 3.979 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1ccc2c3c(cccc31)CC2)c1ccccc1 ZINC000431522257 1028760679 /nfs/dbraw/zinc/76/06/79/1028760679.db2.gz UCBLOMRBUCMJTH-LJQANCHMSA-N -1 0 345.398 3.537 20 0 EHADRM CCC(CC)(CNC(=O)[C@H](C)c1ccc2ccccc2c1)C(=O)[O-] ZINC000424255242 1028912716 /nfs/dbraw/zinc/91/27/16/1028912716.db2.gz UOKPOGJZQSMUMQ-CQSZACIVSA-N -1 0 327.424 3.951 20 0 EHADRM C[C@H]1CCCC[C@@H]1N(C)C(=O)N=c1[n-]nc(-c2ccsc2)s1 ZINC000503003091 1028959842 /nfs/dbraw/zinc/95/98/42/1028959842.db2.gz FBQKNHKFBOBJOO-JQWIXIFHSA-N -1 0 336.486 3.731 20 0 EHADRM c1c2c(nn1C1CCCC1)[C@@H](N=c1[n-]nc(C3CC3)s1)CCC2 ZINC000445598593 1028980682 /nfs/dbraw/zinc/98/06/82/1028980682.db2.gz CSQWFUFBNXCHMP-AWEZNQCLSA-N -1 0 329.473 3.639 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2F)cc1F ZINC000614873876 1029010177 /nfs/dbraw/zinc/01/01/77/1029010177.db2.gz CWCHABOIEWFNAC-UHFFFAOYSA-N -1 0 347.770 3.818 20 0 EHADRM CC(=O)Oc1ccc(Nc2c(Cl)c(F)[n-]c(=O)c2Cl)cc1 ZINC001212071030 1029021136 /nfs/dbraw/zinc/02/11/36/1029021136.db2.gz RIBSOIYIVYAVHG-UHFFFAOYSA-N -1 0 331.130 3.902 20 0 EHADRM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)NCCC(C)(C)C(=O)[O-])cc1 ZINC000424409784 1029055677 /nfs/dbraw/zinc/05/56/77/1029055677.db2.gz XYGJPAFMYYRCAE-DLBZAZTESA-N -1 0 346.471 3.773 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cc(C)nn2-c2ccccc2)cc1 ZINC000524297545 1029060929 /nfs/dbraw/zinc/06/09/29/1029060929.db2.gz GAJQOSXUPJWTNY-UHFFFAOYSA-N -1 0 341.436 3.544 20 0 EHADRM O=C(Nc1n[nH]c(-c2ccco2)n1)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000076989441 1029068010 /nfs/dbraw/zinc/06/80/10/1029068010.db2.gz GQIJWSKWJUQRRT-IUCAKERBSA-N -1 0 346.749 3.599 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)c2cc3cc(Cl)ccc3o2)s[n-]1 ZINC000524319595 1029082613 /nfs/dbraw/zinc/08/26/13/1029082613.db2.gz NTPIMJVPWIRWLZ-UHFFFAOYSA-N -1 0 335.816 3.909 20 0 EHADRM COc1ccc2oc(C(=O)Nc3cccc(C(=O)[O-])c3)c(C)c2c1 ZINC000237311650 1029122976 /nfs/dbraw/zinc/12/29/76/1029122976.db2.gz DNCSRDLHZURVOA-UHFFFAOYSA-N -1 0 325.320 3.700 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000077589178 1029131768 /nfs/dbraw/zinc/13/17/68/1029131768.db2.gz GYUONIQHIHFVCG-ZDUSSCGKSA-N -1 0 329.396 3.954 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)C[C@@H](C)c1ccccc1 ZINC000237398818 1029156740 /nfs/dbraw/zinc/15/67/40/1029156740.db2.gz XZGKNUAZBUEBQA-CRAIPNDOSA-N -1 0 325.408 3.821 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(N3CCCC3)c(F)c2)c(F)c1 ZINC000343108228 1029213089 /nfs/dbraw/zinc/21/30/89/1029213089.db2.gz NWUOTPDXPNYTDR-UHFFFAOYSA-N -1 0 346.333 3.516 20 0 EHADRM CC(C)[C@H]1CCCN(C(=O)N=c2[n-]nc(-c3ccco3)s2)CC1 ZINC000524481158 1029242349 /nfs/dbraw/zinc/24/23/49/1029242349.db2.gz KWBQNHJPYPFNCQ-LBPRGKRZSA-N -1 0 334.445 3.510 20 0 EHADRM Cc1cc(=NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)[n-]nc1C ZINC000524508914 1029254937 /nfs/dbraw/zinc/25/49/37/1029254937.db2.gz YYMDITKOWCALGF-NWDGAFQWSA-N -1 0 336.222 3.564 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)Cc1ccccc1C(F)(F)F ZINC000271988414 1029260313 /nfs/dbraw/zinc/26/03/13/1029260313.db2.gz YYZGBEFRTFPKKU-UHFFFAOYSA-N -1 0 345.361 3.789 20 0 EHADRM CSc1cccc(NC(=O)CSc2n[n-]c(=S)s2)c1C ZINC000272145145 1029330530 /nfs/dbraw/zinc/33/05/30/1029330530.db2.gz WEHZDLQIMLJUKI-UHFFFAOYSA-N -1 0 343.524 3.588 20 0 EHADRM CSc1ccc(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])cc1 ZINC000324106081 1029394915 /nfs/dbraw/zinc/39/49/15/1029394915.db2.gz FEVXHJOAANLXIR-OAHLLOKOSA-N -1 0 336.457 3.954 20 0 EHADRM CC(C)(NC(=O)C[C@H](C(=O)[O-])c1ccccc1)c1ccc(F)c(F)c1 ZINC000634890973 1029405506 /nfs/dbraw/zinc/40/55/06/1029405506.db2.gz MBGVMQSSPOGTSW-AWEZNQCLSA-N -1 0 347.361 3.575 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)Cc3ccccc3)n2)c1 ZINC000524653860 1029414875 /nfs/dbraw/zinc/41/48/75/1029414875.db2.gz MEMGELYIVJBQKD-UHFFFAOYSA-N -1 0 349.434 3.974 20 0 EHADRM C[C@](CC(=O)N1CCCCC1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000634893012 1029421757 /nfs/dbraw/zinc/42/17/57/1029421757.db2.gz BFGAYRIJTBBEAT-MRXNPFEDSA-N -1 0 344.238 3.738 20 0 EHADRM CCc1oc(C(=O)N2CCCCc3cc(OC)ccc32)cc1C(=O)[O-] ZINC000261599202 1029458232 /nfs/dbraw/zinc/45/82/32/1029458232.db2.gz AWKHXQCIAIFXJV-UHFFFAOYSA-N -1 0 343.379 3.532 20 0 EHADRM CCc1oc(C(=O)N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)cc1C(=O)[O-] ZINC000261605414 1029460669 /nfs/dbraw/zinc/46/06/69/1029460669.db2.gz DITSXEKCZFMDKI-WCQYABFASA-N -1 0 345.370 3.698 20 0 EHADRM CCc1oc(C(=O)N2C[C@@H](c3ccccc3C)C[C@@H]2C)cc1C(=O)[O-] ZINC000261642143 1029467157 /nfs/dbraw/zinc/46/71/57/1029467157.db2.gz LBLZYZKLPSLSIG-KBPBESRZSA-N -1 0 341.407 3.867 20 0 EHADRM COCCN(C(=O)c1cccc(C(F)(F)F)c1[O-])[C@H]1CC[C@H](C)C1 ZINC000583272904 1029500976 /nfs/dbraw/zinc/50/09/76/1029500976.db2.gz YNPGGQNAOFUJGD-RYUDHWBXSA-N -1 0 345.361 3.688 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc(F)cc(Br)c2[O-])[C@H](C)C1 ZINC000425038558 1029501743 /nfs/dbraw/zinc/50/17/43/1029501743.db2.gz XYDRLZYSFSZIHS-RKDXNWHRSA-N -1 0 330.197 3.554 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2ccc(OC3CCC3)cc2)c1 ZINC000272681742 1029564023 /nfs/dbraw/zinc/56/40/23/1029564023.db2.gz NEVQXFMTOBFIJT-UHFFFAOYSA-N -1 0 325.364 3.778 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)N1CCc2ccsc2C1)C1CCCCC1 ZINC000634904929 1029566527 /nfs/dbraw/zinc/56/65/27/1029566527.db2.gz BJPGBTCBVHEYRH-SFHVURJKSA-N -1 0 335.469 3.694 20 0 EHADRM CCC(CC)n1ncc(C(=O)Nc2cc(C(C)=O)ccc2[O-])c1C ZINC000272694588 1029569852 /nfs/dbraw/zinc/56/98/52/1029569852.db2.gz QLCCUBVVPKGEIM-UHFFFAOYSA-N -1 0 329.400 3.713 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)c1 ZINC000262405638 1029590034 /nfs/dbraw/zinc/59/00/34/1029590034.db2.gz OKXSPFQIWNYRCR-HZPDHXFCSA-N -1 0 345.345 3.724 20 0 EHADRM COc1cccc([C@@H](C)C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000262468410 1029596670 /nfs/dbraw/zinc/59/66/70/1029596670.db2.gz GMLSRNYDNQIJNW-CYBMUJFWSA-N -1 0 327.380 3.752 20 0 EHADRM C/C(=C/C(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1)c1ccc(F)cc1 ZINC000237473851 1029611097 /nfs/dbraw/zinc/61/10/97/1029611097.db2.gz CPMKDEROCTVDOV-TYBABMIJSA-N -1 0 348.399 3.570 20 0 EHADRM CCc1n[n-]c(=NC(=O)N(CC2CCC2)[C@H](C)c2ccccc2)s1 ZINC000524923158 1029622695 /nfs/dbraw/zinc/62/26/95/1029622695.db2.gz DYRWPPARTNUTQG-CYBMUJFWSA-N -1 0 344.484 3.918 20 0 EHADRM CC[C@@H]1CCCCN1C(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000262697271 1029624586 /nfs/dbraw/zinc/62/45/86/1029624586.db2.gz XXDZTWQVPKFZKC-CYBMUJFWSA-N -1 0 340.217 3.552 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)CC2CCCCCC2)C[C@@H]1c1ccccc1 ZINC000262814870 1029638799 /nfs/dbraw/zinc/63/87/99/1029638799.db2.gz DQMCLVOCAJURGT-QZTJIDSGSA-N -1 0 329.440 3.674 20 0 EHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000262824335 1029640429 /nfs/dbraw/zinc/64/04/29/1029640429.db2.gz BVUYIIWDVXQJOL-OAHLLOKOSA-N -1 0 332.227 3.542 20 0 EHADRM CCc1ccc(CCC(=O)Nc2ccc(C(=O)[O-])cc2OC)cc1 ZINC000262850377 1029645307 /nfs/dbraw/zinc/64/53/07/1029645307.db2.gz DAUJTDKIGDGPIS-UHFFFAOYSA-N -1 0 327.380 3.527 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)CSCc1cccc(Cl)c1 ZINC000263037124 1029659528 /nfs/dbraw/zinc/65/95/28/1029659528.db2.gz RGYJDIHQRWWGLQ-INIZCTEOSA-N -1 0 343.876 3.579 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CSc1ccc2ccccc2c1 ZINC000263088806 1029664649 /nfs/dbraw/zinc/66/46/49/1029664649.db2.gz BYMJYPBTEGDSDX-BBRMVZONSA-N -1 0 343.448 3.644 20 0 EHADRM Cc1cc(C(=O)N[C@@H](C)CC(=O)[O-])sc1-c1cccc(Cl)c1 ZINC000263112569 1029667717 /nfs/dbraw/zinc/66/77/17/1029667717.db2.gz PYLYSYZYBKYONJ-JTQLQIEISA-N -1 0 337.828 3.970 20 0 EHADRM CC(C)(C(=O)NCc1ccc(C(=O)[O-])s1)c1ccccc1Cl ZINC000263147186 1029668721 /nfs/dbraw/zinc/66/87/21/1029668721.db2.gz HFFVUJWWNCSFCX-UHFFFAOYSA-N -1 0 337.828 3.694 20 0 EHADRM CCCC[C@@H](CC)CC(=O)N1CCC(n2ncc(C(=O)[O-])c2C)CC1 ZINC000263145279 1029668772 /nfs/dbraw/zinc/66/87/72/1029668772.db2.gz IMSWMSKBZAOLBU-OAHLLOKOSA-N -1 0 349.475 3.660 20 0 EHADRM CCc1oc(C(=O)N(CC)[C@@H](C)Cc2ccsc2)cc1C(=O)[O-] ZINC000263158369 1029670347 /nfs/dbraw/zinc/67/03/47/1029670347.db2.gz ZOBBNLLCLARJFQ-NSHDSACASA-N -1 0 335.425 3.695 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H](c2cccc(F)c2)C2CCCC2)C1 ZINC000263292287 1029684633 /nfs/dbraw/zinc/68/46/33/1029684633.db2.gz MJKSPEAMWQQWKR-UXLLHSPISA-N -1 0 333.403 3.674 20 0 EHADRM CN(C(=O)NCCC(=O)[O-])[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000263332814 1029689757 /nfs/dbraw/zinc/68/97/57/1029689757.db2.gz CSEWHOXLVFJADP-MRXNPFEDSA-N -1 0 338.835 3.687 20 0 EHADRM CC[C@H](C)C[C@H](C)NS(=O)(=O)c1ccc(Br)s1 ZINC000088310745 1029690348 /nfs/dbraw/zinc/69/03/48/1029690348.db2.gz JDQORBWLQZJKSC-IUCAKERBSA-N -1 0 340.308 3.614 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)C1CC1 ZINC000263354245 1029690468 /nfs/dbraw/zinc/69/04/68/1029690468.db2.gz WNHBRHAIERAPDE-XQQFMLRXSA-N -1 0 335.831 3.893 20 0 EHADRM C[C@H]1CCN(C(=O)NCc2ccc(C(=O)[O-])cc2)[C@H](c2ccco2)C1 ZINC000263485035 1029703794 /nfs/dbraw/zinc/70/37/94/1029703794.db2.gz PDXJOLDZOWHRHI-BBRMVZONSA-N -1 0 342.395 3.661 20 0 EHADRM COc1nc2ccc(NC(=O)c3cc(O)ccc3Cl)cc2s1 ZINC000508681927 1029730017 /nfs/dbraw/zinc/73/00/17/1029730017.db2.gz UYGIZKRYJJTJPE-UHFFFAOYSA-N -1 0 334.784 3.916 20 0 EHADRM COc1cc(SC)ccc1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000193241580 1029810897 /nfs/dbraw/zinc/81/08/97/1029810897.db2.gz JQKUORHUQWBWDX-UHFFFAOYSA-N -1 0 325.336 3.653 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cn(CC(C)C)c2ccccc12 ZINC000446902066 1029846149 /nfs/dbraw/zinc/84/61/49/1029846149.db2.gz IEGJEVDEGLRBCW-CQSZACIVSA-N -1 0 330.428 3.623 20 0 EHADRM CCS(=O)(=O)[N-]c1nc(C)c(Cc2ccc(Cl)cc2F)s1 ZINC000446943903 1029862203 /nfs/dbraw/zinc/86/22/03/1029862203.db2.gz LZLSOZFQACFJRZ-UHFFFAOYSA-N -1 0 348.852 3.596 20 0 EHADRM COc1cc(CN=c2[n-]nc(CCCc3ccccc3)o2)ccc1C ZINC000446947264 1029862366 /nfs/dbraw/zinc/86/23/66/1029862366.db2.gz XDRMSSHYOKGNTC-UHFFFAOYSA-N -1 0 337.423 3.596 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1cccc(-c2nccs2)c1 ZINC000525522383 1029880768 /nfs/dbraw/zinc/88/07/68/1029880768.db2.gz DKDCEZJEWOYNKR-UHFFFAOYSA-N -1 0 336.463 3.981 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])NC(=O)c2cc(Cl)ccc2C)c1 ZINC000555921080 1029908790 /nfs/dbraw/zinc/90/87/90/1029908790.db2.gz IZZPBXKGYGXGRT-MRXNPFEDSA-N -1 0 347.798 3.603 20 0 EHADRM C/C=C\C[C@H](NC(=O)c1ccccc1SCC=C(C)C)C(=O)[O-] ZINC000555915390 1029916951 /nfs/dbraw/zinc/91/69/51/1029916951.db2.gz QZVFRUCVFHYCKD-XVWMLYKFSA-N -1 0 333.453 3.894 20 0 EHADRM CO[C@H](C)c1nc(=Nc2cccc(COCc3ccco3)c2)s[n-]1 ZINC000509641525 1029958040 /nfs/dbraw/zinc/95/80/40/1029958040.db2.gz SXZCQCDGXBDQSI-GFCCVEGCSA-N -1 0 345.424 3.721 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@H](C)c2cccc(C(F)(F)F)c2)s[n-]1 ZINC000509694953 1029969078 /nfs/dbraw/zinc/96/90/78/1029969078.db2.gz VXJZQBNYJISBOJ-BDAKNGLRSA-N -1 0 331.363 3.859 20 0 EHADRM CO[C@@H](C)c1nc(=NCC(C)(C)c2ccccc2Cl)s[n-]1 ZINC000509697751 1029973551 /nfs/dbraw/zinc/97/35/51/1029973551.db2.gz KEQGEEDQGGAMQX-JTQLQIEISA-N -1 0 325.865 3.711 20 0 EHADRM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(OC)cc1Cl ZINC000074936134 1030059117 /nfs/dbraw/zinc/05/91/17/1030059117.db2.gz KJJTVSNJVKNIOL-UHFFFAOYSA-N -1 0 341.816 3.548 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N3CCC[C@@H](C)C3)s2)c1 ZINC000481977616 1030143725 /nfs/dbraw/zinc/14/37/25/1030143725.db2.gz FKNKSYGPXGSBPE-LLVKDONJSA-N -1 0 330.457 3.508 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc3ccccc3s2)s1 ZINC000042316935 1030145799 /nfs/dbraw/zinc/14/57/99/1030145799.db2.gz TXLUFFBXBXHREI-UHFFFAOYSA-N -1 0 337.447 3.965 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1cc(Cl)ccc1SC ZINC000121009573 1030157690 /nfs/dbraw/zinc/15/76/90/1030157690.db2.gz HINUOPPFDNWRCD-UHFFFAOYSA-N -1 0 349.886 3.933 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)ccn1)c1cccc(C(F)(F)F)c1 ZINC000088329884 1030207576 /nfs/dbraw/zinc/20/75/76/1030207576.db2.gz MXDWUHBCFOUMQR-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM CCOc1ccccc1C1=CCN(C(=O)c2c([O-])cccc2F)CC1 ZINC000121237822 1030218463 /nfs/dbraw/zinc/21/84/63/1030218463.db2.gz XVVYFVXVJOFYEZ-UHFFFAOYSA-N -1 0 341.382 3.860 20 0 EHADRM Cc1cc2occ(CC(=O)NC3(CC(=O)[O-])CCCCC3)c2cc1C ZINC000532004524 1030220714 /nfs/dbraw/zinc/22/07/14/1030220714.db2.gz KESTWBDPXNIGRY-UHFFFAOYSA-N -1 0 343.423 3.886 20 0 EHADRM CC(C)CN1Cc2cccc([N-]S(=O)(=O)c3cccs3)c2C1 ZINC000128653701 1030235591 /nfs/dbraw/zinc/23/55/91/1030235591.db2.gz UPAFGHPCOFCBFY-UHFFFAOYSA-N -1 0 336.482 3.521 20 0 EHADRM C[C@H]1CCN(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])CC1(C)C ZINC000447527974 1030247565 /nfs/dbraw/zinc/24/75/65/1030247565.db2.gz HMJCMWWOQNNSQO-LBPRGKRZSA-N -1 0 347.846 3.740 20 0 EHADRM Cc1nc2ccc(C(=O)Nc3cccc(CCC(=O)[O-])c3)cc2nc1C ZINC000525979292 1030296914 /nfs/dbraw/zinc/29/69/14/1030296914.db2.gz HBXSEEBJYYVVII-UHFFFAOYSA-N -1 0 349.390 3.516 20 0 EHADRM Cc1cc(Nc2ccc(C)c(C(=O)[O-])c2)n(C(=O)OC(C)(C)C)n1 ZINC001211591819 1030335997 /nfs/dbraw/zinc/33/59/97/1030335997.db2.gz DDGOKKIHSGTOSU-UHFFFAOYSA-N -1 0 331.372 3.725 20 0 EHADRM Cc1ccc(Nc2ncc(Cl)nc2Br)cc1C(=O)[O-] ZINC001211593822 1030460331 /nfs/dbraw/zinc/46/03/31/1030460331.db2.gz AUFCBOBDMXWMIK-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM COc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c1 ZINC000447788487 1030489829 /nfs/dbraw/zinc/48/98/29/1030489829.db2.gz OWBLZGNCRHRVDQ-UHFFFAOYSA-N -1 0 349.305 3.654 20 0 EHADRM COC(=O)c1csc(NC(=O)c2c([O-])cc(Cl)cc2Cl)c1 ZINC000532266976 1030515464 /nfs/dbraw/zinc/51/54/64/1030515464.db2.gz FSBCDUWNAXQOQR-UHFFFAOYSA-N -1 0 346.191 3.799 20 0 EHADRM C[C@]1(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC=CCC1 ZINC001212125678 1030519195 /nfs/dbraw/zinc/51/91/95/1030519195.db2.gz CXMPZSYFKFNWRN-ZDUSSCGKSA-N -1 0 338.231 3.910 20 0 EHADRM Cc1ccc(C(C)C)c(OCC(=O)NC2(CC(=O)[O-])CCCCC2)c1 ZINC000532255538 1030522058 /nfs/dbraw/zinc/52/20/58/1030522058.db2.gz GUISLKANLLSLJE-UHFFFAOYSA-N -1 0 347.455 3.791 20 0 EHADRM CCC(CC)N(C(=O)c1cccc(Br)c1[O-])C1CC1 ZINC000537638829 1030526698 /nfs/dbraw/zinc/52/66/98/1030526698.db2.gz XIICVOZQZXHPKL-UHFFFAOYSA-N -1 0 326.234 3.948 20 0 EHADRM COc1cc(Cl)c(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)cc1C ZINC000685187639 1030529058 /nfs/dbraw/zinc/52/90/58/1030529058.db2.gz ZLSJRUDQSCALMI-CYBMUJFWSA-N -1 0 347.798 3.854 20 0 EHADRM CC(C)n1nc(-c2ccco2)cc1NC(=O)c1c([O-])cccc1F ZINC000447859531 1030552490 /nfs/dbraw/zinc/55/24/90/1030552490.db2.gz WWQMFVYPJJTRIV-UHFFFAOYSA-N -1 0 329.331 3.821 20 0 EHADRM CCCc1nc(=NC(=O)N2C[C@H](c3ccc(C)cc3)C[C@@H]2C)s[n-]1 ZINC000583721854 1030563226 /nfs/dbraw/zinc/56/32/26/1030563226.db2.gz TXYFKZTUEIRXJE-DZGCQCFKSA-N -1 0 344.484 3.631 20 0 EHADRM CCc1cccc(CC(=O)N=c2nc(-c3sccc3C)[n-]s2)c1 ZINC000472300999 1030611497 /nfs/dbraw/zinc/61/14/97/1030611497.db2.gz ZFFSRLGZMLAYBR-UHFFFAOYSA-N -1 0 343.477 3.741 20 0 EHADRM Cc1ccc(Oc2ccccc2[N-]S(=O)(=O)CCOC(C)C)cc1 ZINC000482690424 1030644760 /nfs/dbraw/zinc/64/47/60/1030644760.db2.gz IGGWJRZILGZJQR-UHFFFAOYSA-N -1 0 349.452 3.954 20 0 EHADRM C[C@@H]1CN(C(=O)N=c2nc(-c3ccsc3)[n-]s2)[C@H]2CCCC[C@@H]12 ZINC000448000760 1030650290 /nfs/dbraw/zinc/65/02/90/1030650290.db2.gz OLSLWLLJBOJWLB-WXHSDQCUSA-N -1 0 348.497 3.731 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2ccc(CC(=O)[O-])cc2)cc1C ZINC000170569540 1030690809 /nfs/dbraw/zinc/69/08/09/1030690809.db2.gz XAWZCTDGNKLSIM-UHFFFAOYSA-N -1 0 339.391 3.532 20 0 EHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000194214583 1030695157 /nfs/dbraw/zinc/69/51/57/1030695157.db2.gz XTXUMAKRSGZBRB-UHFFFAOYSA-N -1 0 345.342 3.823 20 0 EHADRM CSc1nc(=NC(=O)N[C@@H](C)c2cccc3ccccc32)s[n-]1 ZINC000476619081 1030749737 /nfs/dbraw/zinc/74/97/37/1030749737.db2.gz RWZHBEKBCVGTKM-JTQLQIEISA-N -1 0 344.465 3.718 20 0 EHADRM CSc1nc(=NC(=O)N[C@@H](c2ccccc2C)C(C)C)s[n-]1 ZINC000476637612 1030755767 /nfs/dbraw/zinc/75/57/67/1030755767.db2.gz UZYUKJIWMVLSLH-GFCCVEGCSA-N -1 0 336.486 3.509 20 0 EHADRM Cc1nc(CC(C)C)oc1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000476702317 1030823110 /nfs/dbraw/zinc/82/31/10/1030823110.db2.gz VGOUXQRUJHWJPU-UHFFFAOYSA-N -1 0 326.755 3.932 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(c2nc(-c3ccccc3)no2)CC1 ZINC000668169935 1030836578 /nfs/dbraw/zinc/83/65/78/1030836578.db2.gz RAUFLUWYHNIOOT-UHFFFAOYSA-N -1 0 349.390 3.819 20 0 EHADRM O=C([O-])c1cc(CNc2cccc(CN3CCCCC3=O)c2)cs1 ZINC000902199117 1030837870 /nfs/dbraw/zinc/83/78/70/1030837870.db2.gz MISDSGLVNUIXIP-UHFFFAOYSA-N -1 0 344.436 3.571 20 0 EHADRM O=C(Cc1ccc(Cl)c(F)c1)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000448256123 1030875177 /nfs/dbraw/zinc/87/51/77/1030875177.db2.gz MUGACLLPJNMLII-UHFFFAOYSA-N -1 0 341.773 3.539 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000262835086 1030922524 /nfs/dbraw/zinc/92/25/24/1030922524.db2.gz SIBMCVLAERIEPA-BLLLJJGKSA-N -1 0 343.810 3.734 20 0 EHADRM CCSCc1cccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)c1 ZINC000157873102 1030925749 /nfs/dbraw/zinc/92/57/49/1030925749.db2.gz CKEDFWCJYZESFE-UHFFFAOYSA-N -1 0 347.465 3.617 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)[C@H](C)CCCc2ccccc2)C1 ZINC000262868177 1030937676 /nfs/dbraw/zinc/93/76/76/1030937676.db2.gz FXDREPAEXHYXFI-OXQOHEQNSA-N -1 0 331.456 3.605 20 0 EHADRM Cc1ccc2nc(CN=c3[n-]nc(C[C@H](C)CC(C)(C)C)o3)cn2c1 ZINC000551070940 1031017593 /nfs/dbraw/zinc/01/75/93/1031017593.db2.gz JIFFVBORQACBNQ-AWEZNQCLSA-N -1 0 341.459 3.675 20 0 EHADRM COc1cc(Nc2ccc(C)c(C(=O)[O-])c2)c(C(C)=O)cc1OC ZINC001211602113 1031061734 /nfs/dbraw/zinc/06/17/34/1031061734.db2.gz ZGKDRDFWVOLYCN-UHFFFAOYSA-N -1 0 329.352 3.657 20 0 EHADRM Cc1c(F)ccc(Cl)c1C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000483462117 1031181470 /nfs/dbraw/zinc/18/14/70/1031181470.db2.gz LMRIKUVGRNKFNP-UHFFFAOYSA-N -1 0 327.812 3.611 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nc(C3CC3)cs2)cc(C)c1F ZINC000173997429 1031190513 /nfs/dbraw/zinc/19/05/13/1031190513.db2.gz RFXFBBFRPFEFNE-UHFFFAOYSA-N -1 0 326.418 3.577 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)Nc3ccc(Cl)cc3F)cc2=O)cc1 ZINC000174380144 1031206487 /nfs/dbraw/zinc/20/64/87/1031206487.db2.gz IUXZBADTPMSZCF-UHFFFAOYSA-N -1 0 345.761 3.519 20 0 EHADRM O=C([O-])c1sc2ccsc2c1CNC(=O)CC1CC(F)(F)C1 ZINC000668274773 1031362085 /nfs/dbraw/zinc/36/20/85/1031362085.db2.gz LDCLMKABGUIWOR-UHFFFAOYSA-N -1 0 345.392 3.713 20 0 EHADRM CCc1ccc(O)c([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c1 ZINC000551466935 1031366653 /nfs/dbraw/zinc/36/66/53/1031366653.db2.gz JNXTWLMJPUZEQV-UHFFFAOYSA-N -1 0 347.770 3.687 20 0 EHADRM CSc1cc(C)c(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)o1 ZINC000668281276 1031381706 /nfs/dbraw/zinc/38/17/06/1031381706.db2.gz QWXPGRMOSXCIEG-UHFFFAOYSA-N -1 0 347.436 3.817 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)Cc2cccc(C3CC3)c2)[C@@H]2CCCC[C@H]12 ZINC000668295255 1031414508 /nfs/dbraw/zinc/41/45/08/1031414508.db2.gz NIEWIDZBLSPGSK-GUDVDZBRSA-N -1 0 341.451 3.598 20 0 EHADRM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000668298691 1031422929 /nfs/dbraw/zinc/42/29/29/1031422929.db2.gz HLCBCYYCIHUBFN-KRWDZBQOSA-N -1 0 345.370 3.756 20 0 EHADRM C[C@@H]1CCC[C@H](C)N(C(=O)N=c2[n-]nc(/C=C/c3ccco3)s2)C1 ZINC000484092914 1031453648 /nfs/dbraw/zinc/45/36/48/1031453648.db2.gz BUIYFGUBXCCTEZ-VSONXHSHSA-N -1 0 346.456 3.766 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccc(F)cc1OC(C)C ZINC000484235440 1031499602 /nfs/dbraw/zinc/49/96/02/1031499602.db2.gz RXHRTHLMDBPPFC-UHFFFAOYSA-N -1 0 329.418 3.784 20 0 EHADRM CCC(CC)c1nnc([N-]S(=O)(=O)c2c(F)cccc2F)s1 ZINC000083955994 1031539226 /nfs/dbraw/zinc/53/92/26/1031539226.db2.gz QIXMUNXOGHTCAL-UHFFFAOYSA-N -1 0 347.412 3.521 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CCCOc1cccc(F)c1 ZINC000484382740 1031560104 /nfs/dbraw/zinc/56/01/04/1031560104.db2.gz HBFRETFKJPSTBG-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM Cc1ccc(Nc2c(N)ccc(F)c2Br)cc1C(=O)[O-] ZINC001211608394 1031565229 /nfs/dbraw/zinc/56/52/29/1031565229.db2.gz UKRNDLCYRAGLPO-UHFFFAOYSA-N -1 0 339.164 3.921 20 0 EHADRM C[C@H](CC(=O)[O-])c1ccc(NCc2c(Cl)nc(Cl)n2C)cc1 ZINC000904015750 1031603378 /nfs/dbraw/zinc/60/33/78/1031603378.db2.gz WIFLFCJOZYEHTK-SECBINFHSA-N -1 0 342.226 3.917 20 0 EHADRM CC(C)[C@H]1C[C@](NCc2cnc(C3CC3)o2)(C(=O)[O-])c2ccccc21 ZINC000904010892 1031629055 /nfs/dbraw/zinc/62/90/55/1031629055.db2.gz ROIVGCWBQNDYOL-OXQOHEQNSA-N -1 0 340.423 3.765 20 0 EHADRM COCc1ccccc1/C=C(/C)CNc1ccc(CC(=O)[O-])cc1 ZINC000904010772 1031629111 /nfs/dbraw/zinc/62/91/11/1031629111.db2.gz OKSVEPUSBWNDQR-PTNGSMBKSA-N -1 0 325.408 3.976 20 0 EHADRM CC(C)[C@H](NC(=O)CC1(C(=O)[O-])CCCC1)c1ccc(F)cc1F ZINC000343616426 1031645609 /nfs/dbraw/zinc/64/56/09/1031645609.db2.gz TVGBVYROYLWGSE-INIZCTEOSA-N -1 0 339.382 3.813 20 0 EHADRM COC1([C@@H](NCc2ccc(-c3ccc(Cl)cc3)o2)C(=O)[O-])CCC1 ZINC000904047065 1031694689 /nfs/dbraw/zinc/69/46/89/1031694689.db2.gz AMGNFBLTAJDCDE-INIZCTEOSA-N -1 0 349.814 3.712 20 0 EHADRM Cc1ccc([C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C(=O)[O-])cc1 ZINC000431541086 1031712548 /nfs/dbraw/zinc/71/25/48/1031712548.db2.gz ZSMUBKWMUGOTSZ-AITUJVMLSA-N -1 0 343.467 3.886 20 0 EHADRM Cc1ccc(CCC(=O)[O-])c(-c2ccc(O[C@H]3CCOC3)cc2)c1 ZINC000584124951 1031765787 /nfs/dbraw/zinc/76/57/87/1031765787.db2.gz WKULRFHGZVRBIG-SFHVURJKSA-N -1 0 326.392 3.847 20 0 EHADRM Cn1cc2ccc(CN=c3nc(C4CCCCC4)[n-]s3)cc2n1 ZINC000528127932 1031776989 /nfs/dbraw/zinc/77/69/89/1031776989.db2.gz SVMRTQCFOWHIJQ-UHFFFAOYSA-N -1 0 327.457 3.507 20 0 EHADRM CCc1ccccc1NCc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904194761 1031843781 /nfs/dbraw/zinc/84/37/81/1031843781.db2.gz FGZQZWMJTCGSBW-UHFFFAOYSA-N -1 0 328.412 3.755 20 0 EHADRM Cc1ccc(N[C@H]2C[C@@H](NC(=O)[O-])C23CCC3)cc1OC(F)F ZINC000904200704 1031847842 /nfs/dbraw/zinc/84/78/42/1031847842.db2.gz ZVDVASXTZNTIRE-QWHCGFSZSA-N -1 0 326.343 3.587 20 0 EHADRM CC(C)c1n[n-]c(=N[C@@H]2CCC[C@H](c3nc4ccccc4[nH]3)C2)o1 ZINC000584169549 1031862603 /nfs/dbraw/zinc/86/26/03/1031862603.db2.gz CYDVUFKNAPCBDF-QWHCGFSZSA-N -1 0 325.416 3.630 20 0 EHADRM CCc1c([N-]S(=O)(=O)c2cccc(CC)c2)onc1C(F)(F)F ZINC000460573212 1031872457 /nfs/dbraw/zinc/87/24/57/1031872457.db2.gz KRVKSQFJJRCXJQ-UHFFFAOYSA-N -1 0 348.346 3.619 20 0 EHADRM O=C(CCCC(F)(F)F)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000537740053 1031882423 /nfs/dbraw/zinc/88/24/23/1031882423.db2.gz WJYMFXFYBTVTAZ-UHFFFAOYSA-N -1 0 349.765 3.952 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c(O)c1 ZINC000537741464 1031882940 /nfs/dbraw/zinc/88/29/40/1031882940.db2.gz UCZVSWXRQZOUQR-UHFFFAOYSA-N -1 0 335.425 3.597 20 0 EHADRM Cc1cc(C)c(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])c(C)c1 ZINC000180687465 1031896907 /nfs/dbraw/zinc/89/69/07/1031896907.db2.gz RCAJVSHFBGZEHC-UHFFFAOYSA-N -1 0 339.370 3.895 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)ccc1F ZINC000666107378 1031932889 /nfs/dbraw/zinc/93/28/89/1031932889.db2.gz BIXYRNROICYDSL-CZUORRHYSA-N -1 0 329.371 3.570 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)c1 ZINC000181196292 1031953042 /nfs/dbraw/zinc/95/30/42/1031953042.db2.gz NBIVMZGVJLXKNB-UHFFFAOYSA-N -1 0 348.371 3.623 20 0 EHADRM CC(C)(C)c1ccc(C(C)(C)CNC(=O)CC(C)(C)C(=O)[O-])cc1 ZINC000584224100 1031983217 /nfs/dbraw/zinc/98/32/17/1031983217.db2.gz HAXTXPKXKJSOSS-UHFFFAOYSA-N -1 0 333.472 3.879 20 0 EHADRM C[C@H](NC(=O)CC1CCC(C(=O)[O-])CC1)C(C)(C)c1ccccc1 ZINC000584234743 1031991569 /nfs/dbraw/zinc/99/15/69/1031991569.db2.gz RHKDOQKUIOJUKG-FHERZECASA-N -1 0 331.456 3.750 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2sccc2C2CC2)C[C@H]1c1ccccc1 ZINC000448992142 1031998249 /nfs/dbraw/zinc/99/82/49/1031998249.db2.gz KPCSYJCCZTUGSL-HOTGVXAUSA-N -1 0 341.432 3.566 20 0 EHADRM Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N[C@H](C)[C@H](C)C(=O)[O-] ZINC000448989631 1031998787 /nfs/dbraw/zinc/99/87/87/1031998787.db2.gz HBANKAVOXAYDFL-NWDGAFQWSA-N -1 0 346.452 3.574 20 0 EHADRM Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N[C@@H](C)[C@H](C)C(=O)[O-] ZINC000448989632 1031999341 /nfs/dbraw/zinc/99/93/41/1031999341.db2.gz HBANKAVOXAYDFL-RYUDHWBXSA-N -1 0 346.452 3.574 20 0 EHADRM CCc1c(C)sc(NC(=O)c2cn(C(C)C)nc2C)c1C(=O)[O-] ZINC000568646461 1032009605 /nfs/dbraw/zinc/00/96/05/1032009605.db2.gz GSAYEFUQUXXIQA-UHFFFAOYSA-N -1 0 335.429 3.655 20 0 EHADRM Cc1nc(C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)ccc1C(=O)[O-] ZINC000448986703 1032018824 /nfs/dbraw/zinc/01/88/24/1032018824.db2.gz QMPLAQKJPUBYIM-MRXNPFEDSA-N -1 0 344.798 3.719 20 0 EHADRM CS[C@H](C)CC(=O)N1CCC([C@@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000598662638 1033361257 /nfs/dbraw/zinc/36/12/57/1033361257.db2.gz SLFOUCXTSYTDBZ-PBHICJAKSA-N -1 0 349.496 3.625 20 0 EHADRM Cc1cc(C)c(CN=c2[n-]nc(Cc3cccc(F)c3)o2)cc1C ZINC000537490648 1033379444 /nfs/dbraw/zinc/37/94/44/1033379444.db2.gz QXMCXIJKDHHYFU-UHFFFAOYSA-N -1 0 325.387 3.759 20 0 EHADRM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c1 ZINC000603168396 1033412237 /nfs/dbraw/zinc/41/22/37/1033412237.db2.gz ASCNJGRTSQDFMB-UHFFFAOYSA-N -1 0 337.404 3.825 20 0 EHADRM CC(C)c1nc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)c[nH]1 ZINC000608007060 1033434898 /nfs/dbraw/zinc/43/48/98/1033434898.db2.gz GETUYBPFCYDAOV-UHFFFAOYSA-N -1 0 334.228 3.641 20 0 EHADRM c1oc(-c2ccccc2)nc1CN=c1[n-]nc(-c2ccccc2)s1 ZINC000608087737 1033483563 /nfs/dbraw/zinc/48/35/63/1033483563.db2.gz VQIBKTFITHPVBB-UHFFFAOYSA-N -1 0 334.404 3.894 20 0 EHADRM CCCCCN(C(=O)N=c1[n-]nc(Cc2ccccc2)s1)C(C)C ZINC000608263435 1033558603 /nfs/dbraw/zinc/55/86/03/1033558603.db2.gz FGCIHAJIEUYWAN-UHFFFAOYSA-N -1 0 346.500 3.983 20 0 EHADRM Clc1cccc(-c2noc(=NC[C@H]3OCCc4ccccc43)[n-]2)c1 ZINC000603397666 1033586208 /nfs/dbraw/zinc/58/62/08/1033586208.db2.gz JWIXEIVFLNBDBL-MRXNPFEDSA-N -1 0 341.798 3.538 20 0 EHADRM COC(=O)c1cc(Cl)c(Nc2ccc(C(=O)[O-])cc2C)cc1OC ZINC001211626591 1033587779 /nfs/dbraw/zinc/58/77/79/1033587779.db2.gz MWVIRROHTQEEAE-UHFFFAOYSA-N -1 0 349.770 3.885 20 0 EHADRM Cc1cccc([C@@H](NC(=O)N2CCC[C@H](CC(=O)[O-])C2)C(C)C)c1 ZINC000529224328 1033625303 /nfs/dbraw/zinc/62/53/03/1033625303.db2.gz ATKVIYNSGRWMRV-QAPCUYQASA-N -1 0 332.444 3.588 20 0 EHADRM C[C@@H]1CC[C@@H](C)N(C(=O)c2cc(Br)c(F)cc2[O-])C1 ZINC000450054019 1033637708 /nfs/dbraw/zinc/63/77/08/1033637708.db2.gz UZKMSIDLCCYWBI-RKDXNWHRSA-N -1 0 330.197 3.554 20 0 EHADRM COc1ccc([C@@H](NC(=O)c2c([O-])cc(F)cc2F)C(C)C)cc1 ZINC000608421558 1033677518 /nfs/dbraw/zinc/67/75/18/1033677518.db2.gz GMMNFAJZDSBJAI-KRWDZBQOSA-N -1 0 335.350 3.806 20 0 EHADRM COc1ncc(C)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000476395661 1033732576 /nfs/dbraw/zinc/73/25/76/1033732576.db2.gz GHUFVMZZNGQQES-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CCC(CC)(CNC(=O)[C@@H](C)Cc1cccc(Cl)c1)C(=O)[O-] ZINC000262656806 1033865921 /nfs/dbraw/zinc/86/59/21/1033865921.db2.gz ACDMPJWNTSASAP-LBPRGKRZSA-N -1 0 325.836 3.526 20 0 EHADRM CO[C@@H](C)c1nc(=Nc2cccc(N3CCC(C)CC3)c2)s[n-]1 ZINC000575130210 1033869117 /nfs/dbraw/zinc/86/91/17/1033869117.db2.gz OCGAMPRDIUUFIV-ZDUSSCGKSA-N -1 0 332.473 3.647 20 0 EHADRM CC(C)c1cc(Sc2n[n-]c(=NCc3ccccc3)s2)ncn1 ZINC000599445583 1033929486 /nfs/dbraw/zinc/92/94/86/1033929486.db2.gz XRVQLIFEVVYYCJ-UHFFFAOYSA-N -1 0 343.481 3.637 20 0 EHADRM CC[C@@H](CC1CCCCC1)C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000603832054 1033957478 /nfs/dbraw/zinc/95/74/78/1033957478.db2.gz YNROPXPBBQHIHR-AWEZNQCLSA-N -1 0 343.427 3.965 20 0 EHADRM Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1c([O-])cccc1F ZINC000118992733 1034050564 /nfs/dbraw/zinc/05/05/64/1034050564.db2.gz FKNZXCJXHVSUGW-UHFFFAOYSA-N -1 0 325.343 3.586 20 0 EHADRM Cc1cc(=NC(=O)c2cc3c(s2)-c2ccccc2CC3)[n-]nc1C ZINC000604234626 1034287692 /nfs/dbraw/zinc/28/76/92/1034287692.db2.gz XHZLVYSTMLZUTI-UHFFFAOYSA-N -1 0 335.432 3.595 20 0 EHADRM Cc1ccc2c(c1)sc(C(=O)N=c1cc(C)c(C)n[n-]1)c2Cl ZINC000604233741 1034289122 /nfs/dbraw/zinc/28/91/22/1034289122.db2.gz NFCUQONLPULCPJ-UHFFFAOYSA-N -1 0 331.828 3.944 20 0 EHADRM COc1ccc([C@@H](Cc2ccc(F)cc2)[N-]C(=O)C(F)(F)F)cc1 ZINC000171277733 1034291920 /nfs/dbraw/zinc/29/19/20/1034291920.db2.gz QDYOBBIEIWDGJJ-OAHLLOKOSA-N -1 0 341.304 3.797 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)CC1(C(=O)[O-])CCCCC1)C(C)C ZINC000604413631 1034370385 /nfs/dbraw/zinc/37/03/85/1034370385.db2.gz WPWHQCPVKBUSFF-INIZCTEOSA-N -1 0 332.444 3.629 20 0 EHADRM CCO[C@@H]1CCCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C1 ZINC000081957501 1034426704 /nfs/dbraw/zinc/42/67/04/1034426704.db2.gz RGZBTKMXRHTBJO-GFCCVEGCSA-N -1 0 333.815 3.840 20 0 EHADRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N=c1nc(C2(C)CC2)[n-]s1 ZINC000529699545 1034447673 /nfs/dbraw/zinc/44/76/73/1034447673.db2.gz SCDZIOSKWSORSQ-UHFFFAOYSA-N -1 0 346.843 3.707 20 0 EHADRM CSc1cccc(NC(=O)c2ccc(Br)c([O-])c2)n1 ZINC000360236380 1034517454 /nfs/dbraw/zinc/51/74/54/1034517454.db2.gz UYYIRYGMUIXVSZ-UHFFFAOYSA-N -1 0 339.214 3.524 20 0 EHADRM CC[C@@H](C)N(Cc1ccccc1)C(=O)N=c1[n-]nc(CC(C)C)s1 ZINC000604903813 1034539555 /nfs/dbraw/zinc/53/95/55/1034539555.db2.gz HWMXRWOSARJCRF-CQSZACIVSA-N -1 0 346.500 3.991 20 0 EHADRM CC(C)[C@H](C(=O)[N-]S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000076757149 1034586443 /nfs/dbraw/zinc/58/64/43/1034586443.db2.gz GXLOHUKGVVEEKW-INIZCTEOSA-N -1 0 335.400 3.911 20 0 EHADRM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000076757154 1034587434 /nfs/dbraw/zinc/58/74/34/1034587434.db2.gz GXLOHUKGVVEEKW-MRXNPFEDSA-N -1 0 335.400 3.911 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2ccc(-c3cncnc3)cc2)CCCC1 ZINC000605165245 1034642554 /nfs/dbraw/zinc/64/25/54/1034642554.db2.gz VHZNIKAAMKKTDN-UHFFFAOYSA-N -1 0 339.395 3.507 20 0 EHADRM CC(C)c1n[n-]c(=N[C@H](CCO)c2cccc(C(F)(F)F)c2)s1 ZINC000450660548 1034654710 /nfs/dbraw/zinc/65/47/10/1034654710.db2.gz BHWCIYAOPYKZSE-GFCCVEGCSA-N -1 0 345.390 3.638 20 0 EHADRM CC[C@](C)([N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1)C(F)(F)F ZINC000569778490 1034700813 /nfs/dbraw/zinc/70/08/13/1034700813.db2.gz VBOAXEFYTGKKKX-NSHDSACASA-N -1 0 347.761 3.630 20 0 EHADRM CC/C=C(\C)C(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000171930989 1034713117 /nfs/dbraw/zinc/71/31/17/1034713117.db2.gz BHPWFICJZFDCCB-VGOFMYFVSA-N -1 0 329.421 3.515 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1cnnn1-c1ccccc1Cl ZINC000605888349 1034838511 /nfs/dbraw/zinc/83/85/11/1034838511.db2.gz SITUBGYDRVFZFB-UHFFFAOYSA-N -1 0 349.177 3.532 20 0 EHADRM O=C(N=c1[n-]nc(SCc2ccccc2)s1)NCCCC1CC1 ZINC000605905393 1034840948 /nfs/dbraw/zinc/84/09/48/1034840948.db2.gz GJVXJXRVTCMTSB-UHFFFAOYSA-N -1 0 348.497 3.564 20 0 EHADRM O=c1[n-]nc([C@H]2CCCN(Cc3cc(Cl)sc3Cl)C2)o1 ZINC000450907345 1034930263 /nfs/dbraw/zinc/93/02/63/1034930263.db2.gz QBRMNBAQZFMGIQ-ZETCQYMHSA-N -1 0 334.228 3.523 20 0 EHADRM O=S(=O)([N-]c1nc2c(s1)CCCC2)c1sccc1Cl ZINC000450956451 1034983775 /nfs/dbraw/zinc/98/37/75/1034983775.db2.gz IFTRDTNZCQUBIQ-UHFFFAOYSA-N -1 0 334.875 3.538 20 0 EHADRM Cc1ccc(O)cc1NS(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000530145116 1035004579 /nfs/dbraw/zinc/00/45/79/1035004579.db2.gz PINGACBRGPTFGA-UHFFFAOYSA-N -1 0 335.425 3.536 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2nccc(C3CC3)n2)cc1 ZINC000530157938 1035025170 /nfs/dbraw/zinc/02/51/70/1035025170.db2.gz YXSDCQQRCCYCDT-LBPRGKRZSA-N -1 0 331.441 3.668 20 0 EHADRM CC(C)(C)c1cccc([N-]S(=O)(=O)c2sccc2F)c1O ZINC000451032609 1035036473 /nfs/dbraw/zinc/03/64/73/1035036473.db2.gz QESNKQJZMOSSAR-UHFFFAOYSA-N -1 0 329.418 3.691 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1ccc(Br)cc1F ZINC000530175496 1035047139 /nfs/dbraw/zinc/04/71/39/1035047139.db2.gz HKDUFQPCDWBFOQ-PEGIJTEDSA-N -1 0 344.224 3.662 20 0 EHADRM COc1cc(C(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)ccc1Cl ZINC000431666990 1035157550 /nfs/dbraw/zinc/15/75/50/1035157550.db2.gz MHCHNNULVWVSPU-UHFFFAOYSA-N -1 0 333.771 3.916 20 0 EHADRM CCO[C@H](CC(=O)Nc1cc(C)c(C)c(C(=O)[O-])c1)C1=CCCC1 ZINC000431667823 1035168827 /nfs/dbraw/zinc/16/88/27/1035168827.db2.gz REKUQWGPHLAENZ-QGZVFWFLSA-N -1 0 331.412 3.846 20 0 EHADRM Cc1ccnc(Cl)c1NS(=O)(=O)c1cccc(Cl)c1C ZINC000235823187 1035206228 /nfs/dbraw/zinc/20/62/28/1035206228.db2.gz DZCFKVMXCFGBIY-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM CC(C)(C)c1nc(=NCC2(CCOCc3ccccc3)CC2)[n-]o1 ZINC000472471704 1035275302 /nfs/dbraw/zinc/27/53/02/1035275302.db2.gz RCBYESYKIFMCFO-UHFFFAOYSA-N -1 0 329.444 3.588 20 0 EHADRM C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)[N-]OCc1ccccc1 ZINC000782661485 1035293150 /nfs/dbraw/zinc/29/31/50/1035293150.db2.gz PGBNYPBUUZHBKV-GFCCVEGCSA-N -1 0 339.313 3.721 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)NCc2ccc([C@@H]3C[C@H]3C)o2)s1 ZINC000612991645 1035340438 /nfs/dbraw/zinc/34/04/38/1035340438.db2.gz ICLIOWOUMCXDQS-DGCLKSJQSA-N -1 0 348.472 3.731 20 0 EHADRM CC(C)[C@@H]1N(C(=O)N=c2[n-]nc(-c3ccccc3)s2)CC1(C)C ZINC000431715226 1035353054 /nfs/dbraw/zinc/35/30/54/1035353054.db2.gz JWTORFYKQFERJN-ZDUSSCGKSA-N -1 0 330.457 3.525 20 0 EHADRM FC(F)(F)c1nc(=NCc2ccc(-c3ccncc3)cc2)s[n-]1 ZINC000376210499 1035427820 /nfs/dbraw/zinc/42/78/20/1035427820.db2.gz ZOPFMNDZHCVNHP-UHFFFAOYSA-N -1 0 336.342 3.653 20 0 EHADRM C[C@H](N=c1nc(C(F)(F)F)[n-]s1)c1ncc(-c2ccccc2)o1 ZINC000376217874 1035447623 /nfs/dbraw/zinc/44/76/23/1035447623.db2.gz GYCABKMCXZKVHQ-QMMMGPOBSA-N -1 0 340.330 3.807 20 0 EHADRM C[C@](CC(=O)NCC1(C2CC2)CCC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000414092542 1035480861 /nfs/dbraw/zinc/48/08/61/1035480861.db2.gz LSBGMYKVUYYEFM-GOSISDBHSA-N -1 0 349.858 3.769 20 0 EHADRM C[C@](CC(=O)NCC1(C2CCC2)CCC1)(C(=O)[O-])c1ccccc1 ZINC000414101211 1035499415 /nfs/dbraw/zinc/49/94/15/1035499415.db2.gz WCLRVBPRPKBMMX-LJQANCHMSA-N -1 0 329.440 3.506 20 0 EHADRM CCCN(C(=O)Nc1ccc2cnn(C(C)C)c2c1)[C@H](CC)C(=O)[O-] ZINC000571503295 1035509686 /nfs/dbraw/zinc/50/96/86/1035509686.db2.gz RJDQPBRFRWVMIO-OAHLLOKOSA-N -1 0 346.431 3.724 20 0 EHADRM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000506994276 1035531730 /nfs/dbraw/zinc/53/17/30/1035531730.db2.gz HARMEJXHRCAOFK-LLVKDONJSA-N -1 0 340.832 3.713 20 0 EHADRM Cn1nccc1CCC(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000185936625 1035543835 /nfs/dbraw/zinc/54/38/35/1035543835.db2.gz FRCMVNLIXBIXNB-UHFFFAOYSA-N -1 0 348.617 3.657 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)N[C@@H](CC(=O)[O-])C1CCCCC1 ZINC000540713795 1035621183 /nfs/dbraw/zinc/62/11/83/1035621183.db2.gz WOLSYUMBNAYTBX-ZDUSSCGKSA-N -1 0 338.473 3.728 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N(C)[C@H](C)c1cccc(Cl)c1)C(=O)[O-] ZINC000321302234 1035626159 /nfs/dbraw/zinc/62/61/59/1035626159.db2.gz CAUCRCVPGCBYCP-OCCSQVGLSA-N -1 0 340.851 3.789 20 0 EHADRM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3c(C)cccc3F)c2C)o1 ZINC000186467193 1035639957 /nfs/dbraw/zinc/63/99/57/1035639957.db2.gz INONDTLYTIXBKY-UHFFFAOYSA-N -1 0 349.387 3.535 20 0 EHADRM CC(C)CCc1n[n-]c(=NCc2cccc(OC(F)(F)F)c2)o1 ZINC000540791464 1035683887 /nfs/dbraw/zinc/68/38/87/1035683887.db2.gz QSJRJDMWRBJBKP-UHFFFAOYSA-N -1 0 329.322 3.591 20 0 EHADRM Cc1cc(CN=c2[n-]nc(C(C)C)s2)sc1Br ZINC000540807697 1035698404 /nfs/dbraw/zinc/69/84/04/1035698404.db2.gz KFIIMRZFUPSEHB-UHFFFAOYSA-N -1 0 332.292 3.828 20 0 EHADRM CC(C)N(C(=O)c1nn(-c2ccccc2)cc1[O-])C1CC(C)(C)C1 ZINC000457078088 1035724361 /nfs/dbraw/zinc/72/43/61/1035724361.db2.gz PXZPPAKYWYGWTP-UHFFFAOYSA-N -1 0 327.428 3.617 20 0 EHADRM CCOc1cc(C(=O)N[C@H](C)c2cccc(O)c2)cc(Cl)c1O ZINC000186879761 1035732418 /nfs/dbraw/zinc/73/24/18/1035732418.db2.gz FSIOEECGTLBATB-SNVBAGLBSA-N -1 0 335.787 3.641 20 0 EHADRM CC(C)c1n[n-]c(=NC(=O)c2cc3c(ccc4ccccc34)[nH]2)s1 ZINC000491300743 1035733936 /nfs/dbraw/zinc/73/39/36/1035733936.db2.gz LSRZMLSLPKOBIU-UHFFFAOYSA-N -1 0 336.420 3.970 20 0 EHADRM O=C([O-])c1cc(/C=C/c2cccc(OCc3ccccc3)c2)ncn1 ZINC000534879062 1035736397 /nfs/dbraw/zinc/73/63/97/1035736397.db2.gz SFZUTSPBFCSNNJ-MDZDMXLPSA-N -1 0 332.359 3.924 20 0 EHADRM Cc1cccc(Oc2ccccc2C(=O)N(C)C[C@@H](C)C(=O)[O-])c1 ZINC000263096901 1035737624 /nfs/dbraw/zinc/73/76/24/1035737624.db2.gz ILDBLVCYXAMPHA-CQSZACIVSA-N -1 0 327.380 3.580 20 0 EHADRM O=C([O-])c1cc(/C=C\c2cccc(OCc3ccccc3)c2)ncn1 ZINC000534879061 1035737722 /nfs/dbraw/zinc/73/77/22/1035737722.db2.gz SFZUTSPBFCSNNJ-KTKRTIGZSA-N -1 0 332.359 3.924 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2cccc(-c3ccccc3)c2)C1 ZINC000263098740 1035763507 /nfs/dbraw/zinc/76/35/07/1035763507.db2.gz JRRKQOXBZRFZPL-RHSMWYFYSA-N -1 0 338.407 3.928 20 0 EHADRM CC(C)c1cnc([N-]S(=O)(=O)c2cccc3cccnc32)s1 ZINC000174012146 1035832124 /nfs/dbraw/zinc/83/21/24/1035832124.db2.gz JSSHMUXDFSPCJP-UHFFFAOYSA-N -1 0 333.438 3.616 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccccc2C)cc1 ZINC000045098389 1035844083 /nfs/dbraw/zinc/84/40/83/1035844083.db2.gz MSCQRYNANPFFII-UHFFFAOYSA-N -1 0 331.437 3.835 20 0 EHADRM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)CCC2CCCCC2)c1 ZINC000045098089 1035845856 /nfs/dbraw/zinc/84/58/56/1035845856.db2.gz FGZFJOGBRVGDKD-UHFFFAOYSA-N -1 0 337.441 3.895 20 0 EHADRM Cc1ccccc1[C@H]1CN(C(=O)c2ccc([O-])c(Cl)c2)[C@@H](C)CO1 ZINC000174346095 1035936390 /nfs/dbraw/zinc/93/63/90/1035936390.db2.gz FPINPSJPGPZCHH-SCLBCKFNSA-N -1 0 345.826 3.956 20 0 EHADRM CC[C@H](C)OC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000738616536 1035938623 /nfs/dbraw/zinc/93/86/23/1035938623.db2.gz LJACVCPSNTYKTQ-NSHDSACASA-N -1 0 339.438 3.504 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)Nc3cccc(C(C)C)c3)cc2=O)cc1 ZINC000174423849 1035940756 /nfs/dbraw/zinc/94/07/56/1035940756.db2.gz UIERCONTJDXLEK-UHFFFAOYSA-N -1 0 335.407 3.850 20 0 EHADRM CCc1c(C(=O)Nc2ccc(F)c(F)c2[O-])cnn1C1CCCC1 ZINC000457295854 1035952770 /nfs/dbraw/zinc/95/27/70/1035952770.db2.gz OSAHSFYWXIHYHH-UHFFFAOYSA-N -1 0 335.354 3.797 20 0 EHADRM C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000319668676 1035987711 /nfs/dbraw/zinc/98/77/11/1035987711.db2.gz SCCGJGQLTWVZGU-SECBINFHSA-N -1 0 337.734 3.583 20 0 EHADRM O=c1nc(-c2ccc(O)c(F)c2)[n-]c2c(-c3ccccc3)nsc21 ZINC000541159739 1036039410 /nfs/dbraw/zinc/03/94/10/1036039410.db2.gz IDZZGPRVZKWLFX-UHFFFAOYSA-N -1 0 339.351 3.558 20 0 EHADRM CCCOCCOc1cccc(-c2ccc(OC)cc2C(=O)[O-])c1 ZINC000572304438 1036060483 /nfs/dbraw/zinc/06/04/83/1036060483.db2.gz QHRCSBNJXMIUOQ-UHFFFAOYSA-N -1 0 330.380 3.866 20 0 EHADRM COCCc1ccc(-c2cccc(C(=O)C[C@@H](C)C(=O)[O-])c2)cc1 ZINC000572304678 1036061010 /nfs/dbraw/zinc/06/10/10/1036061010.db2.gz XGSCTPZKHJMOQS-CQSZACIVSA-N -1 0 326.392 3.836 20 0 EHADRM COc1cc(C(=O)[O-])sc1-c1ccc(O[C@@H]2CCOC2)c(C)c1 ZINC000572304746 1036062821 /nfs/dbraw/zinc/06/28/21/1036062821.db2.gz YWNZRAZRHVAPHL-GFCCVEGCSA-N -1 0 334.393 3.598 20 0 EHADRM O=C(N=c1nc(-c2ccccc2Cl)[n-]s1)[C@@H]1CCCCS1 ZINC000541219394 1036095724 /nfs/dbraw/zinc/09/57/24/1036095724.db2.gz LXHIUMQSEHGJHS-NSHDSACASA-N -1 0 339.873 3.505 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)c2ccc(-c3cccs3)o2)s[n-]1 ZINC000541236020 1036105614 /nfs/dbraw/zinc/10/56/14/1036105614.db2.gz MDTVHNWLCZIZPS-UHFFFAOYSA-N -1 0 333.438 3.831 20 0 EHADRM C[C@@H](CC(=O)N=c1nc(-c2cccnc2)[n-]s1)C1CCCCC1 ZINC000535170637 1036107952 /nfs/dbraw/zinc/10/79/52/1036107952.db2.gz BXXKGJXJDHGJFJ-LBPRGKRZSA-N -1 0 330.457 3.567 20 0 EHADRM Cc1cc(C(=O)Nc2cc(F)ccc2O)c2c(n1)onc2C(C)C ZINC000174873509 1036122617 /nfs/dbraw/zinc/12/26/17/1036122617.db2.gz WAQUJJHUCFDINQ-UHFFFAOYSA-N -1 0 329.331 3.752 20 0 EHADRM O=C([O-])[C@H](CC(=O)NCC1CC(c2ccccc2)C1)c1ccccc1 ZINC000669961189 1036219597 /nfs/dbraw/zinc/21/95/97/1036219597.db2.gz UGBMKTXNWOIKQW-XUJQIHCRSA-N -1 0 337.419 3.555 20 0 EHADRM O=C([O-])CCc1ccccc1-c1cccc(CO[C@H]2CCOC2)c1 ZINC000522013661 1036228259 /nfs/dbraw/zinc/22/82/59/1036228259.db2.gz LMVGHIVQAWBTAR-SFHVURJKSA-N -1 0 326.392 3.676 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2nc3ccccc3s2)c(C)c1 ZINC000589263745 1036325633 /nfs/dbraw/zinc/32/56/33/1036325633.db2.gz NEBVIOJNYIUPGT-UHFFFAOYSA-N -1 0 348.449 3.804 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(Cl)cc2O)[C@@H](c2ccccc2)CO1 ZINC000175435283 1036379838 /nfs/dbraw/zinc/37/98/38/1036379838.db2.gz QCZQFPGJTQZWJF-BLLLJJGKSA-N -1 0 331.799 3.648 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@@H+]1Cc1coc(-c2cccc(F)c2)n1 ZINC000572543654 1036409072 /nfs/dbraw/zinc/40/90/72/1036409072.db2.gz SOUGIKWHPDGPBB-WQGACYEGSA-N -1 0 332.375 3.554 20 0 EHADRM Cc1nc(=NC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)s[n-]1 ZINC000464418895 1036423345 /nfs/dbraw/zinc/42/33/45/1036423345.db2.gz LUWDDMXDDVISKK-UHFFFAOYSA-N -1 0 344.465 3.768 20 0 EHADRM COc1cccc(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)c1 ZINC000589429937 1036423696 /nfs/dbraw/zinc/42/36/96/1036423696.db2.gz OBJFXEAUNMMWCJ-UHFFFAOYSA-N -1 0 347.436 3.817 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cncc3ccccc32)c(C)c1 ZINC000535388444 1036433243 /nfs/dbraw/zinc/43/32/43/1036433243.db2.gz YHQBPAONRCFHJY-UHFFFAOYSA-N -1 0 326.421 3.961 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CCC[C@@H](C(F)(F)F)C1 ZINC000572732865 1036476386 /nfs/dbraw/zinc/47/63/86/1036476386.db2.gz SHNLXOHZCNGVSK-MRVPVSSYSA-N -1 0 341.251 3.826 20 0 EHADRM COc1ccc(-c2cc(C(=O)N(C)CCCC(=O)[O-])sc2C)cc1 ZINC000263167561 1036582019 /nfs/dbraw/zinc/58/20/19/1036582019.db2.gz ZXURWPHDPLCKPV-UHFFFAOYSA-N -1 0 347.436 3.669 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)Nc1cccc(Cl)c1 ZINC000013531014 1036605810 /nfs/dbraw/zinc/60/58/10/1036605810.db2.gz YCGYIMFLBZRZML-LBPRGKRZSA-N -1 0 332.787 3.847 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N(Cc1ccco1)Cc1cccs1 ZINC000324157377 1036611211 /nfs/dbraw/zinc/61/12/11/1036611211.db2.gz ATKWCNDBKYBYFK-JKSUJKDBSA-N -1 0 347.436 3.761 20 0 EHADRM CC[C@H](C)CC(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000263197652 1036616728 /nfs/dbraw/zinc/61/67/28/1036616728.db2.gz UMOYUWFUFTWGCW-GWCFXTLKSA-N -1 0 342.233 3.517 20 0 EHADRM CC(C)OC(=O)c1cc(NC(=O)c2ccccc2SC(C)C)[nH]n1 ZINC000888117495 1036630476 /nfs/dbraw/zinc/63/04/76/1036630476.db2.gz MGQGFHCRLAFKOD-UHFFFAOYSA-N -1 0 347.440 3.728 20 0 EHADRM CCC[C@@H](CNC(=O)CC(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000263223231 1036652578 /nfs/dbraw/zinc/65/25/78/1036652578.db2.gz RCNOPSOHTGPDMB-SFHVURJKSA-N -1 0 339.435 3.826 20 0 EHADRM CC(C)(C)c1n[n-]c(=NCc2ccc(-c3c(F)cccc3F)o2)o1 ZINC000541824888 1036680089 /nfs/dbraw/zinc/68/00/89/1036680089.db2.gz UGMVRVUTQYTTBH-UHFFFAOYSA-N -1 0 333.338 3.939 20 0 EHADRM Cc1cc(C)c(NS(=O)(=O)c2ccc3c(c2)C(=O)CCC3)c(C)c1 ZINC000685912619 1036702828 /nfs/dbraw/zinc/70/28/28/1036702828.db2.gz MCOFIJVOPVVUDA-UHFFFAOYSA-N -1 0 343.448 3.932 20 0 EHADRM COc1ccc(-c2nnc(NCc3c(O)cccc3Cl)o2)cc1 ZINC000161927819 1036705838 /nfs/dbraw/zinc/70/58/38/1036705838.db2.gz WMFOKFFVMLEJJG-UHFFFAOYSA-N -1 0 331.759 3.716 20 0 EHADRM CC[C@H](CC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-])c1ccc(OC)cc1 ZINC000263270510 1036743514 /nfs/dbraw/zinc/74/35/14/1036743514.db2.gz LYWIKJKYAAMCKA-WIBUTAKZSA-N -1 0 347.455 3.729 20 0 EHADRM CCCC[C@H]1CCC[C@H]1NC(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000590135736 1036784562 /nfs/dbraw/zinc/78/45/62/1036784562.db2.gz DLNQDJRDVPZBOG-NWDGAFQWSA-N -1 0 334.445 3.700 20 0 EHADRM CC(C)[C@@H](C)N(C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1)C1CC1 ZINC000263377830 1036826322 /nfs/dbraw/zinc/82/63/22/1036826322.db2.gz CFFUBSATHVFGKL-NVXWUHKLSA-N -1 0 346.471 3.681 20 0 EHADRM CC(=O)N(c1ccc(NCc2cccc(C(=O)[O-])c2)cc1)[C@@H]1C[C@@H]1C ZINC000263405935 1036869805 /nfs/dbraw/zinc/86/98/05/1036869805.db2.gz JSBMNPHFIGMAHC-ORAYPTAESA-N -1 0 338.407 3.758 20 0 EHADRM COCc1ccc(C(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)cc1 ZINC000263410626 1036878719 /nfs/dbraw/zinc/87/87/19/1036878719.db2.gz MFRYAXXMCVXLIV-GOSISDBHSA-N -1 0 347.455 3.767 20 0 EHADRM CCCCCc1nnc([N-]S(=O)(=O)Cc2cccc(C)c2)s1 ZINC000186602227 1036895029 /nfs/dbraw/zinc/89/50/29/1036895029.db2.gz YMVBFFKOCJMSAF-UHFFFAOYSA-N -1 0 339.486 3.521 20 0 EHADRM CSc1ccc(C)c(C(=O)N=c2nc(-c3ccccc3)[n-]s2)c1 ZINC000590502925 1036903251 /nfs/dbraw/zinc/90/32/51/1036903251.db2.gz YYQKKXYRFRUHKF-UHFFFAOYSA-N -1 0 341.461 3.910 20 0 EHADRM CCCCc1n[n-]c(=NCc2sccc2Br)s1 ZINC000462383069 1036907369 /nfs/dbraw/zinc/90/73/69/1036907369.db2.gz BPHLNWSDCFPTOA-UHFFFAOYSA-N -1 0 332.292 3.739 20 0 EHADRM C[C@H]1CC[C@@]2(CCN(C(=O)N=c3ccc(-c4ccccc4)n[n-]3)C2)C1 ZINC000541972582 1036925279 /nfs/dbraw/zinc/92/52/79/1036925279.db2.gz LLVVFAOTABBBPR-MGPUTAFESA-N -1 0 336.439 3.610 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)c(C)c1O ZINC000177844058 1036951359 /nfs/dbraw/zinc/95/13/59/1036951359.db2.gz YUKXOWIEIRQHAX-UHFFFAOYSA-N -1 0 343.807 3.911 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1nc2c(ccc(F)c2C)s1 ZINC000464892019 1036958571 /nfs/dbraw/zinc/95/85/71/1036958571.db2.gz KNTFEHAMEXAWJE-UHFFFAOYSA-N -1 0 342.442 3.915 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)C[C@@H]1C ZINC000648490550 1036964327 /nfs/dbraw/zinc/96/43/27/1036964327.db2.gz LYKQWKSPFDWZQO-VKJFTORMSA-N -1 0 343.467 3.886 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 ZINC000653281999 1036972574 /nfs/dbraw/zinc/97/25/74/1036972574.db2.gz HSUHPHYXLHVJLO-UHFFFAOYSA-N -1 0 344.289 3.676 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCc1ccc(Cl)s1)C1CCCCC1 ZINC000539612800 1036977867 /nfs/dbraw/zinc/97/78/67/1036977867.db2.gz BUZPDTLEOIIOOQ-CYBMUJFWSA-N -1 0 343.876 3.874 20 0 EHADRM C[C@@H](CNC(=O)c1ccc(-c2ccc(Cl)cc2)s1)CC(=O)[O-] ZINC000539687762 1037073484 /nfs/dbraw/zinc/07/34/84/1037073484.db2.gz AMYXWBITSDXICN-SNVBAGLBSA-N -1 0 337.828 3.909 20 0 EHADRM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)[N-]OCCC(F)(F)F ZINC000162936068 1037083811 /nfs/dbraw/zinc/08/38/11/1037083811.db2.gz HQYXBASPTICDMW-GFCCVEGCSA-N -1 0 339.741 3.744 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])[S@@](=O)Cc1nc(C2CCCCC2)cs1 ZINC000590900990 1037131221 /nfs/dbraw/zinc/13/12/21/1037131221.db2.gz OAIJTBMIAKGOGC-FPTDNZKUSA-N -1 0 343.514 3.939 20 0 EHADRM CCOc1ccccc1[C@@H](CC)NC(=O)c1cccc(CC(=O)[O-])c1 ZINC000653644544 1037147811 /nfs/dbraw/zinc/14/78/11/1037147811.db2.gz UBIISIJFWFGHQH-QGZVFWFLSA-N -1 0 341.407 3.594 20 0 EHADRM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000263581787 1037171217 /nfs/dbraw/zinc/17/12/17/1037171217.db2.gz XQIBBHXNCVVCCB-CSODTCANSA-N -1 0 343.467 3.981 20 0 EHADRM C[C@H](NC(=O)c1ccccc1O)c1noc(-c2ccc(Cl)cc2)n1 ZINC000176770801 1037180514 /nfs/dbraw/zinc/18/05/14/1037180514.db2.gz MKEJFDQDGUVDHE-JTQLQIEISA-N -1 0 343.770 3.587 20 0 EHADRM Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1ccccc1F ZINC000542232452 1037185427 /nfs/dbraw/zinc/18/54/27/1037185427.db2.gz RAVPSCVHVXSGDD-UHFFFAOYSA-N -1 0 337.420 3.637 20 0 EHADRM Cc1cc(/C=C(/C(=O)C(=O)[O-])c2ccc3ccccc3n2)cc(C)c1O ZINC000057826164 1037197835 /nfs/dbraw/zinc/19/78/35/1037197835.db2.gz WFTKSBWJIQAVIB-LFIBNONCSA-N -1 0 347.370 3.752 20 0 EHADRM Cc1cccc([C@H](NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)C(C)(C)C)c1 ZINC000666535212 1037209077 /nfs/dbraw/zinc/20/90/77/1037209077.db2.gz ZTPKGNNSVONZNZ-YJBOKZPZSA-N -1 0 346.471 3.979 20 0 EHADRM O=S(=O)([N-]c1ccncc1)c1c(Cl)cc(Cl)cc1Cl ZINC000105565085 1037213575 /nfs/dbraw/zinc/21/35/75/1037213575.db2.gz KKAYHUNIFUNVSU-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cccc(OC(F)(F)F)c2)CCCCC1 ZINC000024940693 1037252199 /nfs/dbraw/zinc/25/21/99/1037252199.db2.gz DFTUINWMHABZBO-UHFFFAOYSA-N -1 0 345.317 3.949 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000089288152 1037256886 /nfs/dbraw/zinc/25/68/86/1037256886.db2.gz XCOHLMMZJMDXND-JTQLQIEISA-N -1 0 335.347 3.671 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000089288176 1037259000 /nfs/dbraw/zinc/25/90/00/1037259000.db2.gz HYQBRFVDHDSIJG-UWVGGRQHSA-N -1 0 334.224 3.569 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000761417864 1037274040 /nfs/dbraw/zinc/27/40/40/1037274040.db2.gz DABNAQMFRQAWJY-OAHLLOKOSA-N -1 0 337.419 3.933 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc(-c3nccs3)c2)CC2(CCC2)C1 ZINC000659121425 1037298075 /nfs/dbraw/zinc/29/80/75/1037298075.db2.gz YNPABRNMQORHNA-UHFFFAOYSA-N -1 0 342.420 3.784 20 0 EHADRM CC(C)c1nc(/C=C\c2cncc(Br)c2)ncc1C(=O)[O-] ZINC000342439546 1037307567 /nfs/dbraw/zinc/30/75/67/1037307567.db2.gz WDSYPPBKPMQPTJ-ARJAWSKDSA-N -1 0 348.200 3.626 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)C2CCC(C3CC3)CC2)c1 ZINC000659126812 1037312858 /nfs/dbraw/zinc/31/28/58/1037312858.db2.gz PJDOXRWFHLMQLQ-JMLCCBQJSA-N -1 0 345.439 3.544 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)c1cc(Cl)cc2ccccc21 ZINC000659142686 1037364326 /nfs/dbraw/zinc/36/43/26/1037364326.db2.gz ITWCXAAVGFJNCN-CQSZACIVSA-N -1 0 331.799 3.963 20 0 EHADRM CC(C)C[C@@H](C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000659146037 1037369643 /nfs/dbraw/zinc/36/96/43/1037369643.db2.gz QVMJMOLONSHOQY-NUEKZKHPSA-N -1 0 337.847 3.839 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000659145090 1037370466 /nfs/dbraw/zinc/37/04/66/1037370466.db2.gz MPXZVVVFTNNDRZ-FHWLQOOXSA-N -1 0 343.467 3.891 20 0 EHADRM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc2cc(Cl)ccc2s1 ZINC000659151957 1037373707 /nfs/dbraw/zinc/37/37/07/1037373707.db2.gz NBUSREIFOXCKFJ-FMSQNYNMSA-N -1 0 349.839 3.880 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CC[C@@H](c2ccccc2)C1(C)C ZINC000659158450 1037382995 /nfs/dbraw/zinc/38/29/95/1037382995.db2.gz CMAFFBDVKKXWCE-HNNXBMFYSA-N -1 0 327.380 3.695 20 0 EHADRM C[C@H](NC(=O)c1ccc(C2CC2)cc1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000659159177 1037383029 /nfs/dbraw/zinc/38/30/29/1037383029.db2.gz LCZKETTWVJXDFI-IFXJQAMLSA-N -1 0 337.419 3.626 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCC[C@@H]2Cc2ccccc2)C1 ZINC000659153465 1037386659 /nfs/dbraw/zinc/38/66/59/1037386659.db2.gz YPMSBXLVNJSXMW-OPYAIIAOSA-N -1 0 343.467 3.605 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)C[C@]12CCCC[C@H]1C2(F)F ZINC000659154623 1037386939 /nfs/dbraw/zinc/38/69/39/1037386939.db2.gz TZYCXUOYNWUQAN-CZUORRHYSA-N -1 0 339.338 3.548 20 0 EHADRM O=C(C=Cc1ccccc1)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000058035284 1037387808 /nfs/dbraw/zinc/38/78/08/1037387808.db2.gz KPWHJSLDCUVCOX-JLHYYAGUSA-N -1 0 339.416 3.973 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(C(=O)CCC2CCCCCC2)C1 ZINC000659166418 1037400812 /nfs/dbraw/zinc/40/08/12/1037400812.db2.gz KASPGCWXYUPSSO-KGLIPLIRSA-N -1 0 349.393 3.849 20 0 EHADRM Cc1cccc(C)c1[C@@H]1CCCN1C(=O)C1CCC(C(=O)[O-])CC1 ZINC000659168520 1037407723 /nfs/dbraw/zinc/40/77/23/1037407723.db2.gz XDOMXNPKYLIJFT-JCYILVPMSA-N -1 0 329.440 3.858 20 0 EHADRM CC(C)c1occc1C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC000659183047 1037433055 /nfs/dbraw/zinc/43/30/55/1037433055.db2.gz UVRIFUDGXJKNPB-HNNXBMFYSA-N -1 0 341.407 3.951 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)CCc2ccc(Cl)cc2)n1 ZINC000659185467 1037446905 /nfs/dbraw/zinc/44/69/05/1037446905.db2.gz PPEMZNNENUEVQF-AWEZNQCLSA-N -1 0 349.818 3.534 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cccc(C(F)F)c2)[C@H]2CCCC[C@@H]12 ZINC000659195454 1037454746 /nfs/dbraw/zinc/45/47/46/1037454746.db2.gz XRCVYBYBIFNKLF-ZNMIVQPWSA-N -1 0 337.366 3.730 20 0 EHADRM Cc1ccc(CCCC(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)s1 ZINC000659191586 1037459552 /nfs/dbraw/zinc/45/95/52/1037459552.db2.gz DKRHWXKVORIEGG-ULQDDVLXSA-N -1 0 349.496 3.871 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cnn([C@@H](C)C3CC3)c2)c(C)c1 ZINC000187719585 1037477677 /nfs/dbraw/zinc/47/76/77/1037477677.db2.gz VJTRWIXGBOAXSF-AWEZNQCLSA-N -1 0 333.457 3.580 20 0 EHADRM Cc1ccc(-c2cc(CSc3n[n-]c(=NC4CC4)s3)on2)cc1 ZINC000508865035 1037540339 /nfs/dbraw/zinc/54/03/39/1037540339.db2.gz NNWJYQLFHNXICC-UHFFFAOYSA-N -1 0 344.465 3.790 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H](CC)Oc2ccccc2F)c1 ZINC000462926498 1037553445 /nfs/dbraw/zinc/55/34/45/1037553445.db2.gz QLVCELAGCCLFBR-KRWDZBQOSA-N -1 0 345.370 3.920 20 0 EHADRM CCOc1c(F)cccc1C(=O)Nc1cc(C(=O)CC)ccc1[O-] ZINC000462931420 1037556273 /nfs/dbraw/zinc/55/62/73/1037556273.db2.gz MJHVGFZNTVMDCH-UHFFFAOYSA-N -1 0 331.343 3.775 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000591690203 1037558865 /nfs/dbraw/zinc/55/88/65/1037558865.db2.gz GOMRZQHAKHGBBX-BRWVUGGUSA-N -1 0 347.842 3.964 20 0 EHADRM O=C([O-])[C@@H](CC(=O)N[C@@H](c1ccccc1)C1CCC1)c1ccccc1 ZINC000591689737 1037559134 /nfs/dbraw/zinc/55/91/34/1037559134.db2.gz BGMRLOXNKQNOHT-ICSRJNTNSA-N -1 0 337.419 3.903 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)C1(c2ccccc2Cl)CCC1 ZINC000659241662 1037566716 /nfs/dbraw/zinc/56/67/16/1037566716.db2.gz JLZPKVRHCSWVJW-PBHICJAKSA-N -1 0 335.831 3.521 20 0 EHADRM Cc1cc(S(=O)(=O)Nc2ccccc2N2CCCCC2)ccc1F ZINC000591795766 1037607029 /nfs/dbraw/zinc/60/70/29/1037607029.db2.gz FMZAZKXYADCYGC-UHFFFAOYSA-N -1 0 348.443 3.925 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCc1cccc(Cl)c1 ZINC000532556395 1037625743 /nfs/dbraw/zinc/62/57/43/1037625743.db2.gz KTTDHZHMRRWUCZ-BMFZPTHFSA-N -1 0 335.831 3.517 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)CCCC1 ZINC000573806065 1037753792 /nfs/dbraw/zinc/75/37/92/1037753792.db2.gz XDFMNUUCXLYVJL-UHFFFAOYSA-N -1 0 337.375 3.501 20 0 EHADRM COCc1nc(=NCc2cccc(-c3ccc(C)cc3)c2)s[n-]1 ZINC000463247137 1037933647 /nfs/dbraw/zinc/93/36/47/1037933647.db2.gz GYHPISYIGFTXRN-UHFFFAOYSA-N -1 0 325.437 3.694 20 0 EHADRM COC[C@@H](C)Sc1n[n-]c(=Nc2ccc(C)c(Cl)c2)s1 ZINC000463279656 1037963191 /nfs/dbraw/zinc/96/31/91/1037963191.db2.gz QCZRJABNXWRNEU-SECBINFHSA-N -1 0 329.878 3.792 20 0 EHADRM CCC[C@H](NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C1CCC1 ZINC001299213207 1038112217 /nfs/dbraw/zinc/11/22/17/1038112217.db2.gz QUGYXOLSIOBYRA-HNNXBMFYSA-N -1 0 347.846 3.930 20 0 EHADRM CCCCCc1cc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)n[nH]1 ZINC000659146447 1038184973 /nfs/dbraw/zinc/18/49/73/1038184973.db2.gz HNUGHTSWLHFAHE-UHFFFAOYSA-N -1 0 329.400 3.710 20 0 EHADRM O=C(c1cc(F)cc(Br)c1[O-])N1CCC[C@@H]1C1CCC1 ZINC000416148408 1038227881 /nfs/dbraw/zinc/22/78/81/1038227881.db2.gz DAHQUGKDYNVHIA-CYBMUJFWSA-N -1 0 342.208 3.699 20 0 EHADRM C/C(=C/C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000236669330 1038260011 /nfs/dbraw/zinc/26/00/11/1038260011.db2.gz IYEBBEXKFVBJRR-NEFRPEFFSA-N -1 0 325.339 3.966 20 0 EHADRM Fc1ccc(Cc2n[n-]c(=NCc3ccc(F)cc3F)s2)cc1 ZINC000538506791 1038347882 /nfs/dbraw/zinc/34/78/82/1038347882.db2.gz ZLHLLPIUIHANIR-UHFFFAOYSA-N -1 0 335.354 3.580 20 0 EHADRM C[C@@H](CNC(=O)C1(c2cccc(Cl)c2)CCCCC1)CC(=O)[O-] ZINC000538588302 1038390141 /nfs/dbraw/zinc/39/01/41/1038390141.db2.gz OPYJSACFZYHYIB-CYBMUJFWSA-N -1 0 337.847 3.769 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000538575146 1038399594 /nfs/dbraw/zinc/39/95/94/1038399594.db2.gz NRULVBOKYYJALV-HXUWFJFHSA-N -1 0 337.419 3.975 20 0 EHADRM COc1ccc(NC(=O)c2ccc(F)cc2[O-])cc1Br ZINC000228310329 1038525250 /nfs/dbraw/zinc/52/52/50/1038525250.db2.gz QIXIZZLOQXSLFJ-UHFFFAOYSA-N -1 0 340.148 3.555 20 0 EHADRM CCCc1nc(=N[C@@H](C)c2ccc(OCC)c(OCC)c2)s[n-]1 ZINC000461732773 1038582452 /nfs/dbraw/zinc/58/24/52/1038582452.db2.gz RQSCUPOVALQUTR-LBPRGKRZSA-N -1 0 335.473 3.883 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)C[C@H](C)O1 ZINC000416416135 1038651384 /nfs/dbraw/zinc/65/13/84/1038651384.db2.gz KEXKJKIRSWQUCL-FSDCSDTHSA-N -1 0 339.476 3.510 20 0 EHADRM CCCc1nc(=NCc2ccnc(Oc3ccccc3F)c2)s[n-]1 ZINC000461963131 1038698656 /nfs/dbraw/zinc/69/86/56/1038698656.db2.gz QZQJIOXVDINNHR-UHFFFAOYSA-N -1 0 344.415 3.851 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)N[C@@H](c3ccccc3)C(C)C)cc2=O)cc1 ZINC000462042681 1038728011 /nfs/dbraw/zinc/72/80/11/1038728011.db2.gz YNNZAEPRQOXMJV-HXUWFJFHSA-N -1 0 349.434 3.601 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1C ZINC000539195212 1038730583 /nfs/dbraw/zinc/73/05/83/1038730583.db2.gz XIHADFGJVIDVBW-UHFFFAOYSA-N -1 0 347.383 3.935 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cccc(C3CCC3)c2)[C@@H]2CCC[C@H]21 ZINC000910243478 1038783733 /nfs/dbraw/zinc/78/37/33/1038783733.db2.gz XTHCOHFQWSKWFB-RCCFBDPRSA-N -1 0 327.424 3.670 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCCCc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000910248813 1038786590 /nfs/dbraw/zinc/78/65/90/1038786590.db2.gz SELHJWZSMZQAOJ-KURKYZTESA-N -1 0 329.440 3.501 20 0 EHADRM CCCOc1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1F ZINC000910254620 1038792513 /nfs/dbraw/zinc/79/25/13/1038792513.db2.gz JRDKQTMVTWRYDY-UHFFFAOYSA-N -1 0 349.402 3.978 20 0 EHADRM Cc1cccc(C)c1NCC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000910299004 1038812727 /nfs/dbraw/zinc/81/27/27/1038812727.db2.gz PJJRVFDRURSKJK-DLBZAZTESA-N -1 0 338.407 3.542 20 0 EHADRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@@](C)(CC(=O)[O-])C1CC1 ZINC000910319586 1038824604 /nfs/dbraw/zinc/82/46/04/1038824604.db2.gz SQCYKMQLJRNLOU-KRWDZBQOSA-N -1 0 334.803 3.503 20 0 EHADRM COc1ccc([C@H]2CCCN2c2ccc(C(=O)[O-])c(C)n2)cc1F ZINC000910318873 1038824993 /nfs/dbraw/zinc/82/49/93/1038824993.db2.gz WSTZIDMXWATOOC-OAHLLOKOSA-N -1 0 330.359 3.577 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)C[C@@H]2CCC3(CCC3)CO2)cc1 ZINC000910295125 1038827230 /nfs/dbraw/zinc/82/72/30/1038827230.db2.gz CLETYNYGOWYJOM-YESZJQIVSA-N -1 0 343.423 3.553 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)CC(C)(C)CC(F)F)c1 ZINC000910368338 1038866790 /nfs/dbraw/zinc/86/67/90/1038866790.db2.gz FTXMQWKIDPLFIF-CYBMUJFWSA-N -1 0 327.371 3.699 20 0 EHADRM Cc1cc(C(C)C)nc(N[C@H](C)c2ccc(OCC(=O)[O-])cc2)n1 ZINC000910467636 1038926067 /nfs/dbraw/zinc/92/60/67/1038926067.db2.gz ZWQNCLMEHXPZSF-CYBMUJFWSA-N -1 0 329.400 3.545 20 0 EHADRM CC(C)c1cc(N[C@@H]2CCOC3(CC(C(=O)[O-])C3)C2)nc(C(C)C)n1 ZINC000910488017 1038938356 /nfs/dbraw/zinc/93/83/56/1038938356.db2.gz OPCTYXWSFBQSES-SHYRYGCCSA-N -1 0 347.459 3.548 20 0 EHADRM C[C@@H](CC(=O)Nc1ccccc1-n1ccc(C(=O)[O-])n1)C(C)(C)C ZINC000485343559 1038942683 /nfs/dbraw/zinc/94/26/83/1038942683.db2.gz HPRAFSILRJSKKO-LBPRGKRZSA-N -1 0 329.400 3.581 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)NC[C@H]1CCC(F)(F)C1)C1CCCCC1 ZINC000485365175 1038970273 /nfs/dbraw/zinc/97/02/73/1038970273.db2.gz JSKQQGKDYHMKON-BLLLJJGKSA-N -1 0 331.403 3.599 20 0 EHADRM Cc1ccc(C(=O)NC[C@@H]2C[C@@H]2C(=O)[O-])c(Sc2ccccc2)c1 ZINC000910601336 1038988345 /nfs/dbraw/zinc/98/83/45/1038988345.db2.gz CLDKUTYCEBWJHI-BBRMVZONSA-N -1 0 341.432 3.597 20 0 EHADRM C[C@@H](C(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccc(Cl)cc1 ZINC000910645210 1039003437 /nfs/dbraw/zinc/00/34/37/1039003437.db2.gz CWHCONUOGVHFFK-SECBINFHSA-N -1 0 338.816 3.556 20 0 EHADRM CC(C)(C)C[C@H]1CCN(C(=O)N=c2[n-]nc(C(F)F)s2)C1(C)C ZINC000416779062 1039025569 /nfs/dbraw/zinc/02/55/69/1039025569.db2.gz PBYHHNAZBPQDGU-SECBINFHSA-N -1 0 346.447 3.966 20 0 EHADRM Cc1ccc(O[C@H](C)C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)cc1 ZINC000910699809 1039026454 /nfs/dbraw/zinc/02/64/54/1039026454.db2.gz FUWMMXGUKJRFKP-LLVKDONJSA-N -1 0 348.424 3.679 20 0 EHADRM Cc1nc(C2CC2)ccc1C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC000910703793 1039028246 /nfs/dbraw/zinc/02/82/46/1039028246.db2.gz PTJZTMPVAVNNJJ-UHFFFAOYSA-N -1 0 345.424 3.798 20 0 EHADRM CCCOc1cccc(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)c1 ZINC000910737820 1039043648 /nfs/dbraw/zinc/04/36/48/1039043648.db2.gz VVPJQONAUJRQCL-UHFFFAOYSA-N -1 0 346.408 3.760 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)C2CCC=CCC2)nc1C(=O)[O-] ZINC000910718618 1039054025 /nfs/dbraw/zinc/05/40/25/1039054025.db2.gz AKHIJDAPRLAFAK-ZDUSSCGKSA-N -1 0 334.441 3.560 20 0 EHADRM O=S(=O)([N-][C@@H](CCc1ccccc1)C(F)(F)F)C1CCCCC1 ZINC000480051472 1039060902 /nfs/dbraw/zinc/06/09/02/1039060902.db2.gz PQRWMCSASQTGIP-HNNXBMFYSA-N -1 0 349.418 3.802 20 0 EHADRM C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cn1 ZINC000488387518 1039136049 /nfs/dbraw/zinc/13/60/49/1039136049.db2.gz IODRFJIHBCELHD-ZDUSSCGKSA-N -1 0 347.484 3.952 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1cncnc1-c1ccccc1 ZINC000488420561 1039158124 /nfs/dbraw/zinc/15/81/24/1039158124.db2.gz WOZDSFNABNLVMD-UHFFFAOYSA-N -1 0 339.420 3.507 20 0 EHADRM CSc1ccc(NC(=O)c2oc(C3CC3)nc2C)cc1C(=O)[O-] ZINC000910947879 1039169635 /nfs/dbraw/zinc/16/96/35/1039169635.db2.gz QJDGTHKETJAASA-UHFFFAOYSA-N -1 0 332.381 3.533 20 0 EHADRM CC(C)(C)[C@@H]1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)c2ccccc21 ZINC000614054843 1039180334 /nfs/dbraw/zinc/18/03/34/1039180334.db2.gz HTBOXMGQWWZBCH-GFCCVEGCSA-N -1 0 337.379 3.719 20 0 EHADRM Cc1cccc(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)CC2)c1Cl ZINC000911018025 1039187601 /nfs/dbraw/zinc/18/76/01/1039187601.db2.gz PBOCQYOFRGYFHN-UHFFFAOYSA-N -1 0 349.736 3.518 20 0 EHADRM CCCOc1cc(CN=c2[n-]nc(C(C)(C)C)s2)ccc1OC ZINC000554319963 1039205469 /nfs/dbraw/zinc/20/54/69/1039205469.db2.gz QKBZCGULTKHPHN-UHFFFAOYSA-N -1 0 335.473 3.667 20 0 EHADRM CCCCC[C@@H](C)CC(=O)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC000911036423 1039209339 /nfs/dbraw/zinc/20/93/39/1039209339.db2.gz YKWGYERQLZRAKY-CHWSQXEVSA-N -1 0 338.473 3.764 20 0 EHADRM O=C([O-])c1cnc([C@@H]2CCN(C(=O)C3CC4(C3)CCCCC4)C2)s1 ZINC000911045766 1039212649 /nfs/dbraw/zinc/21/26/49/1039212649.db2.gz DUUCIZKKBVLLNZ-GFCCVEGCSA-N -1 0 348.468 3.518 20 0 EHADRM CCNc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(C(C)C)nc1 ZINC000911085308 1039240319 /nfs/dbraw/zinc/24/03/19/1039240319.db2.gz QWJCGUBLPMGFHK-UHFFFAOYSA-N -1 0 327.384 3.587 20 0 EHADRM CC(C)(CCC(=O)[O-])C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000911319555 1039328028 /nfs/dbraw/zinc/32/80/28/1039328028.db2.gz IGLJXLRVFKHVEX-UHFFFAOYSA-N -1 0 338.835 3.770 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)CC(c1ccccc1)c1ccccc1 ZINC000237255005 1039330896 /nfs/dbraw/zinc/33/08/96/1039330896.db2.gz ZMVATQVZTSRWBU-UHFFFAOYSA-N -1 0 325.408 3.532 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000237364929 1039351295 /nfs/dbraw/zinc/35/12/95/1039351295.db2.gz HSOCKFAUBCPQQM-YKWSONSWSA-N -1 0 327.355 3.741 20 0 EHADRM Cc1ccccc1CCNC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000237375412 1039353873 /nfs/dbraw/zinc/35/38/73/1039353873.db2.gz WAFHRDGXLYJTED-CQSZACIVSA-N -1 0 343.448 3.533 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H](C(=O)[O-])C1 ZINC000326169607 1039354185 /nfs/dbraw/zinc/35/41/85/1039354185.db2.gz GSWYJJXQDFSQRB-QPUJVOFHSA-N -1 0 348.296 3.562 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccc3c(c2)CCCC3=O)c1 ZINC000552549848 1039365061 /nfs/dbraw/zinc/36/50/61/1039365061.db2.gz BBMASEKRJSMBMC-UHFFFAOYSA-N -1 0 337.375 3.756 20 0 EHADRM CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000236892407 1039369194 /nfs/dbraw/zinc/36/91/94/1039369194.db2.gz ZQJZYAYBFIFAQT-ONOODXEBSA-N -1 0 343.354 3.720 20 0 EHADRM Cc1cccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000237609170 1039369910 /nfs/dbraw/zinc/36/99/10/1039369910.db2.gz DSSWZBZELNBDHV-OAHLLOKOSA-N -1 0 335.762 3.733 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000237507057 1039377679 /nfs/dbraw/zinc/37/76/79/1039377679.db2.gz NZQSOGRRLBCNSX-QWRGUYRKSA-N -1 0 331.334 3.569 20 0 EHADRM O=C([O-])CSCCC(=O)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000911452028 1039377742 /nfs/dbraw/zinc/37/77/42/1039377742.db2.gz JMLGCMPMXWPUNQ-AWEZNQCLSA-N -1 0 341.860 3.602 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1-c1ccccc1OC[C@H]1CCOC1 ZINC000906237929 1039422920 /nfs/dbraw/zinc/42/29/20/1039422920.db2.gz AKOQBQHCOLUHAV-HNNXBMFYSA-N -1 0 342.391 3.541 20 0 EHADRM CCN(C)C(=O)N(CCCC(=O)[O-])Cc1ccc(C(C)(C)C)cc1 ZINC000554533211 1039439490 /nfs/dbraw/zinc/43/94/90/1039439490.db2.gz PGAMGKYDONINEZ-UHFFFAOYSA-N -1 0 334.460 3.723 20 0 EHADRM CC[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccncc1)c1ccc(C)cc1 ZINC000911660070 1039442780 /nfs/dbraw/zinc/44/27/80/1039442780.db2.gz UMZROGSYWDHVKR-QAPCUYQASA-N -1 0 340.423 3.606 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)N1CCC[C@H](CC(F)(F)F)C1 ZINC000911654621 1039451746 /nfs/dbraw/zinc/45/17/46/1039451746.db2.gz HITOOEQCVQNWBT-GFCCVEGCSA-N -1 0 343.345 3.508 20 0 EHADRM CC(C)(C)[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1onc(C2CC2)c1Cl ZINC001212132039 1039464814 /nfs/dbraw/zinc/46/48/14/1039464814.db2.gz OVPZEIYISMEGHF-WDEREUQCSA-N -1 0 346.880 3.699 20 0 EHADRM CSCCCCC(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC000911737410 1039478927 /nfs/dbraw/zinc/47/89/27/1039478927.db2.gz BOUWKZXADVADGY-UHFFFAOYSA-N -1 0 325.430 3.644 20 0 EHADRM Cc1c(NC(=O)CC2CCC(C(=O)[O-])CC2)cccc1-c1ncco1 ZINC000911750798 1039485850 /nfs/dbraw/zinc/48/58/50/1039485850.db2.gz SMTUXFXFVXRCQL-UHFFFAOYSA-N -1 0 342.395 3.870 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)c2ccc(SCc3ccccc3)cc2)C1 ZINC000238100041 1039491181 /nfs/dbraw/zinc/49/11/81/1039491181.db2.gz WAANLYLXZSIQPH-INIZCTEOSA-N -1 0 341.432 3.526 20 0 EHADRM COC1(CSc2n[n-]c(=NC3CCCCC3)s2)CCCC1 ZINC000478518670 1039504209 /nfs/dbraw/zinc/50/42/09/1039504209.db2.gz DOKLIMNNLIJTRL-UHFFFAOYSA-N -1 0 327.519 3.756 20 0 EHADRM CCCCN(C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)[C@H](C)c1ccc(C)o1 ZINC000898847058 1039600789 /nfs/dbraw/zinc/60/07/89/1039600789.db2.gz UXYCXOHFCCJYKG-QLFBSQMISA-N -1 0 336.432 3.714 20 0 EHADRM Cc1ccc(SC[C@H](C)NC(=O)CC2(CC(=O)[O-])CCC2)cc1 ZINC000643342858 1039647554 /nfs/dbraw/zinc/64/75/54/1039647554.db2.gz IWSDAZDYDGZQQE-AWEZNQCLSA-N -1 0 335.469 3.627 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2cc(F)ccc2Cl)c(C)cc1C ZINC000478712859 1039649235 /nfs/dbraw/zinc/64/92/35/1039649235.db2.gz SQZGGEVAIKZSDS-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM C[C@H]1CCC[C@H](C)N1C(=O)c1c[nH]c(=NC(=O)OC(C)(C)C)s1 ZINC000906565504 1039649640 /nfs/dbraw/zinc/64/96/40/1039649640.db2.gz BKBOEPSFLRFJHO-QWRGUYRKSA-N -1 0 339.461 3.893 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)n1 ZINC000554734719 1039650248 /nfs/dbraw/zinc/65/02/48/1039650248.db2.gz PHBYCLZZGQIDKK-UHFFFAOYSA-N -1 0 328.846 3.566 20 0 EHADRM Cc1cc(NC(=O)c2coc(-c3ccccc3)n2)cc(C(=O)[O-])c1C ZINC000485933406 1039701255 /nfs/dbraw/zinc/70/12/55/1039701255.db2.gz JTPHFTCXZBAAOI-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM CCCc1nc(=N[C@@H](COC)c2cccc(C(F)(F)F)c2)s[n-]1 ZINC000643141569 1039724922 /nfs/dbraw/zinc/72/49/22/1039724922.db2.gz SFKMUTAMYCJKRV-LBPRGKRZSA-N -1 0 345.390 3.731 20 0 EHADRM CCO[C@@H](CC)C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000533969792 1039734516 /nfs/dbraw/zinc/73/45/16/1039734516.db2.gz QQTQQKFMBVBQJQ-JTQLQIEISA-N -1 0 336.613 3.562 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCCc1ccc(Cl)cc1 ZINC000478835614 1039745328 /nfs/dbraw/zinc/74/53/28/1039745328.db2.gz HHDAMURPGXTJAK-OIISXLGYSA-N -1 0 349.858 3.907 20 0 EHADRM Cc1nc([C@H](C)NC(=O)C[C@H](C)c2ccccc2C)sc1C(=O)[O-] ZINC000237504644 1039745452 /nfs/dbraw/zinc/74/54/52/1039745452.db2.gz SYSUMZYXDLZMTL-AAEUAGOBSA-N -1 0 346.452 3.829 20 0 EHADRM Cc1ccc(C(C)(C)CC(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1 ZINC000478870871 1039774715 /nfs/dbraw/zinc/77/47/15/1039774715.db2.gz TUYHAUQEZREFCQ-JQHSSLGASA-N -1 0 343.467 3.907 20 0 EHADRM C[C@H](C1CCCCC1)N(C)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000554841281 1039795974 /nfs/dbraw/zinc/79/59/74/1039795974.db2.gz ZSYMHGSHMZZZGI-CQSZACIVSA-N -1 0 327.428 3.619 20 0 EHADRM O=C([O-])c1cc(/C=C\c2cocn2)nc2ccc(Br)cc21 ZINC000478921304 1039815747 /nfs/dbraw/zinc/81/57/47/1039815747.db2.gz JFWNIADWAFSHLR-IHWYPQMZSA-N -1 0 345.152 3.854 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)c1Cl ZINC000553149570 1039819073 /nfs/dbraw/zinc/81/90/73/1039819073.db2.gz DHYVTKKJNYTEHH-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM O=C(NCCc1cccc2ccccc21)c1s[n-]c(=O)c1Cl ZINC000549772403 1039826841 /nfs/dbraw/zinc/82/68/41/1039826841.db2.gz WHJDSERCEKGWIW-UHFFFAOYSA-N -1 0 332.812 3.628 20 0 EHADRM Cc1c2cc(C)ccc2sc1C(=O)N=c1ncn(C(C)(C)C)[n-]1 ZINC000486116755 1039882621 /nfs/dbraw/zinc/88/26/21/1039882621.db2.gz GDPVZIZBNTYBBN-UHFFFAOYSA-N -1 0 328.441 3.539 20 0 EHADRM CCCc1nc(C)c([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)s1 ZINC000486109797 1039891846 /nfs/dbraw/zinc/89/18/46/1039891846.db2.gz OXHPZBGITNKQIY-UHFFFAOYSA-N -1 0 348.852 3.997 20 0 EHADRM Cc1nc(=N[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)s[n-]1 ZINC000553264708 1039918598 /nfs/dbraw/zinc/91/85/98/1039918598.db2.gz PHLRDEILOCUBNA-LBPRGKRZSA-N -1 0 329.347 3.730 20 0 EHADRM CC[C@@H](N=c1nc(CC(C)C)[n-]s1)c1ccc(OC)c(OC)c1 ZINC000553264545 1039920050 /nfs/dbraw/zinc/92/00/50/1039920050.db2.gz MPGWOHDESKOJFQ-CYBMUJFWSA-N -1 0 335.473 3.739 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)Nc2ccc(O)c(Cl)c2)s1 ZINC000486189600 1039952198 /nfs/dbraw/zinc/95/21/98/1039952198.db2.gz NSUWKCDVUYQPTM-UHFFFAOYSA-N -1 0 340.836 3.696 20 0 EHADRM COc1cc(C)cc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)c1 ZINC001211732984 1039970531 /nfs/dbraw/zinc/97/05/31/1039970531.db2.gz BYHDVAFSOJLMRO-UHFFFAOYSA-N -1 0 327.789 3.647 20 0 EHADRM Cc1nc(CNCc2cc(Cl)sc2Cl)sc1C(=O)[O-] ZINC000417550670 1039989674 /nfs/dbraw/zinc/98/96/74/1039989674.db2.gz WNOOCALYBCKTBT-UHFFFAOYSA-N -1 0 337.253 3.808 20 0 EHADRM CCc1cnc(CN[C@@]2(C(=O)[O-])C[C@@H](C(C)C)c3ccccc32)s1 ZINC000417562163 1040010139 /nfs/dbraw/zinc/01/01/39/1040010139.db2.gz BPMYSVKPHWYSIQ-KXBFYZLASA-N -1 0 344.480 3.919 20 0 EHADRM Cc1cccc([C@H](NCc2cnc([C@@H]3CCCO3)s2)C(=O)[O-])c1C ZINC000417565088 1040012455 /nfs/dbraw/zinc/01/24/55/1040012455.db2.gz PESGZDHXEFFLKY-HOTGVXAUSA-N -1 0 346.452 3.527 20 0 EHADRM CC(C)c1cnc(CN[C@H](Cc2cccc(Cl)c2)C(=O)[O-])s1 ZINC000417564214 1040013035 /nfs/dbraw/zinc/01/30/35/1040013035.db2.gz OGPFPXBTEKRRKA-CYBMUJFWSA-N -1 0 338.860 3.705 20 0 EHADRM CCOCc1cc(CNc2cc(C(=O)[O-])ccc2C)ccc1OC ZINC000417576993 1040037742 /nfs/dbraw/zinc/03/77/42/1040037742.db2.gz KZTZFZAFFAKIAU-UHFFFAOYSA-N -1 0 329.396 3.850 20 0 EHADRM COc1ccc(F)c(NC(=O)c2ccc(Br)c([O-])c2)c1 ZINC000153648346 1040042243 /nfs/dbraw/zinc/04/22/43/1040042243.db2.gz BWWUQZITPLGBOG-UHFFFAOYSA-N -1 0 340.148 3.555 20 0 EHADRM COc1cccc(CNc2ccccc2CCCC(=O)[O-])c1OC ZINC000417615560 1040086292 /nfs/dbraw/zinc/08/62/92/1040086292.db2.gz CPJOIGYBIKZZOC-UHFFFAOYSA-N -1 0 329.396 3.723 20 0 EHADRM CC(C)=CCSC[C@@H](NCc1coc(-c2ccccc2)n1)C(=O)[O-] ZINC000417631581 1040090235 /nfs/dbraw/zinc/09/02/35/1040090235.db2.gz VVQMWRIZFXKXLT-MRXNPFEDSA-N -1 0 346.452 3.584 20 0 EHADRM Cc1c(NC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)cccc1C(=O)[O-] ZINC000324770943 1040092741 /nfs/dbraw/zinc/09/27/41/1040092741.db2.gz DJIQABCWOHTLCG-IAQYHMDHSA-N -1 0 327.380 3.981 20 0 EHADRM COCC[C@H](Cc1cccc(-c2ccc(C(C)=O)cc2F)c1)C(=O)[O-] ZINC000584851580 1040099854 /nfs/dbraw/zinc/09/98/54/1040099854.db2.gz XGTCQLALIKXZSJ-QGZVFWFLSA-N -1 0 344.382 3.975 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccn2)s1 ZINC000295309599 1040113068 /nfs/dbraw/zinc/11/30/68/1040113068.db2.gz NDJMMFRPAYNCRN-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM C[C@@H](Sc1ccc(NCc2ccc3c(c2)CCO3)cc1)C(=O)[O-] ZINC000417659463 1040124989 /nfs/dbraw/zinc/12/49/89/1040124989.db2.gz PFVUVQPOSIJYAP-GFCCVEGCSA-N -1 0 329.421 3.799 20 0 EHADRM CCOC[C@@H]([NH2+]Cc1ccc(-c2cccc(Cl)c2)s1)C(=O)[O-] ZINC000417662682 1040127408 /nfs/dbraw/zinc/12/74/08/1040127408.db2.gz VIZIXDHHXJBQLY-CQSZACIVSA-N -1 0 339.844 3.648 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc(C3CC3)oc2C2CC2)[C@@H]2CCC[C@H]21 ZINC000907736964 1040151570 /nfs/dbraw/zinc/15/15/70/1040151570.db2.gz VRILMYMRPNUNAE-SQWLQELKSA-N -1 0 343.423 3.750 20 0 EHADRM C[C@H]1c2ccsc2CCN1C(=O)N=c1[nH]sc2ccccc21 ZINC000640341909 1040201820 /nfs/dbraw/zinc/20/18/20/1040201820.db2.gz KRYASOPHJTXOAB-JTQLQIEISA-N -1 0 329.450 3.931 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000417769322 1040226778 /nfs/dbraw/zinc/22/67/78/1040226778.db2.gz DGRIOBFYCHQXIA-UHFFFAOYSA-N -1 0 343.355 3.562 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)c3cc4c(ccc5ccccc45)[nH]3)[C@@H]2C1 ZINC000907940774 1040236147 /nfs/dbraw/zinc/23/61/47/1040236147.db2.gz MKCOJTDZXUDHIA-GGKPKWOWSA-N -1 0 348.402 3.550 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@H]23)cc1 ZINC000907936842 1040236460 /nfs/dbraw/zinc/23/64/60/1040236460.db2.gz UVJHTCPMZDRGPB-AUEKSGIPSA-N -1 0 343.467 3.919 20 0 EHADRM CC(C)(CCCc1ccccc1)C(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@H]12 ZINC000907935130 1040250641 /nfs/dbraw/zinc/25/06/41/1040250641.db2.gz FSNYQLCXHJJKLW-XWTMOSNGSA-N -1 0 343.467 3.651 20 0 EHADRM CC(C)OCc1ccc(C(=O)N2CCc3c2cccc3C(=O)[O-])cc1 ZINC000907984348 1040256657 /nfs/dbraw/zinc/25/66/57/1040256657.db2.gz PRIJZEBUUBBQPC-UHFFFAOYSA-N -1 0 339.391 3.513 20 0 EHADRM Cc1cccc(CS(=O)(=O)[N-]c2cc(C3(C)CCCC3)on2)c1 ZINC000432958820 1040273796 /nfs/dbraw/zinc/27/37/96/1040273796.db2.gz IKFDUDRZCOPCRP-UHFFFAOYSA-N -1 0 334.441 3.757 20 0 EHADRM CN(C(=O)c1csc2c1CCCC2)c1cccc(CC(=O)[O-])c1 ZINC000908074122 1040287154 /nfs/dbraw/zinc/28/71/54/1040287154.db2.gz RZYBNPZDHJHPDW-UHFFFAOYSA-N -1 0 329.421 3.531 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc2nn(C(C)C)cc2c1 ZINC000479498380 1040303434 /nfs/dbraw/zinc/30/34/34/1040303434.db2.gz QYRZNESMUNNJSR-UHFFFAOYSA-N -1 0 347.415 3.866 20 0 EHADRM CN(C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C1(C)CCCC1 ZINC000614158655 1040305200 /nfs/dbraw/zinc/30/52/00/1040305200.db2.gz XSEQYGWWFKAFSB-UHFFFAOYSA-N -1 0 333.819 3.636 20 0 EHADRM CC(C)c1cnc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])s1 ZINC000899313693 1040315318 /nfs/dbraw/zinc/31/53/18/1040315318.db2.gz POMDDFCINCWGNN-LLVKDONJSA-N -1 0 325.434 3.518 20 0 EHADRM CC[C@H](CC(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1)C(C)(C)C ZINC000908176736 1040319844 /nfs/dbraw/zinc/31/98/44/1040319844.db2.gz ZQYHWVXTCCXTCL-NTXUUIFSSA-N -1 0 341.517 3.694 20 0 EHADRM O=C(COC/C=C\c1ccccc1)Nc1cc(Cl)c([O-])cc1F ZINC000553699437 1040325758 /nfs/dbraw/zinc/32/57/58/1040325758.db2.gz RDRGGPDAKKSJMV-DAXSKMNVSA-N -1 0 335.762 3.853 20 0 EHADRM COc1ccc2[nH]cc(CC(=O)Nc3cc(Cl)c([O-])cc3F)c2c1 ZINC000553682471 1040326227 /nfs/dbraw/zinc/32/62/27/1040326227.db2.gz HNRMBILLZUYIBG-UHFFFAOYSA-N -1 0 348.761 3.856 20 0 EHADRM CC(C)(C)CC(C)(C)C(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC000908179899 1040328907 /nfs/dbraw/zinc/32/89/07/1040328907.db2.gz KUBAIJNMSDDBSE-XYEKJYRLSA-N -1 0 341.517 3.694 20 0 EHADRM CO[C@@](C)(C(=O)Nc1cc(Cl)c([O-])cc1F)c1ccccc1F ZINC000553687459 1040334242 /nfs/dbraw/zinc/33/42/42/1040334242.db2.gz BCZRAIPXJLMSCO-MRXNPFEDSA-N -1 0 341.741 3.824 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000364178764 1040355592 /nfs/dbraw/zinc/35/55/92/1040355592.db2.gz DRSLPHDAMYTMRD-UHFFFAOYSA-N -1 0 337.419 3.532 20 0 EHADRM Cc1oc(C)c(C(=O)NCCc2cc3ccc(C(=O)[O-])cc3o2)c1C ZINC000908218889 1040356082 /nfs/dbraw/zinc/35/60/82/1040356082.db2.gz QUEBBUCHWZNJTA-UHFFFAOYSA-N -1 0 341.363 3.622 20 0 EHADRM CC(C)(C)c1cccc([N-]S(=O)(=O)c2c(F)cccc2F)c1O ZINC000479547142 1040358876 /nfs/dbraw/zinc/35/88/76/1040358876.db2.gz XPINGUCXOQVHEQ-UHFFFAOYSA-N -1 0 341.379 3.769 20 0 EHADRM CC1(C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])CCC(F)(F)CC1 ZINC000908288954 1040382725 /nfs/dbraw/zinc/38/27/25/1040382725.db2.gz GNBYETZVCWDTML-CYBMUJFWSA-N -1 0 331.403 3.599 20 0 EHADRM CC(C)c1ccc([C@@H](C)n2[n-]c3c(c2=O)CC2(CC3)OCCO2)cc1 ZINC000899360610 1040384366 /nfs/dbraw/zinc/38/43/66/1040384366.db2.gz MPVSTHHSEJPOSE-RHSMWYFYSA-N -1 0 342.439 3.612 20 0 EHADRM Cc1c(C(=O)N[C@@H]2CC[C@H](CC(=O)[O-])C2)oc2c1c(C)ccc2C ZINC000908367468 1040415596 /nfs/dbraw/zinc/41/55/96/1040415596.db2.gz SZJRGKFMEULHES-UONOGXRCSA-N -1 0 329.396 3.731 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1 ZINC000908374784 1040419612 /nfs/dbraw/zinc/41/96/12/1040419612.db2.gz VSVWGMJDMSEGBB-CMPLNLGQSA-N -1 0 335.400 3.722 20 0 EHADRM CC[C@H]1CCCCCN1C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000669041193 1040420496 /nfs/dbraw/zinc/42/04/96/1040420496.db2.gz BXZWZEASEFIIFY-ZDUSSCGKSA-N -1 0 349.381 3.651 20 0 EHADRM CCC(CC)[C@H](C)C(=O)Nc1ccc(-n2[n-]c(C3CC3)cc2=O)nc1 ZINC000912865186 1040421051 /nfs/dbraw/zinc/42/10/51/1040421051.db2.gz BMJLUBSUVODJON-LBPRGKRZSA-N -1 0 342.443 3.595 20 0 EHADRM O=c1c2c([n-]n1-c1nc(C(F)(F)F)nc3ccccc31)CCCCC2 ZINC000614184402 1040429351 /nfs/dbraw/zinc/42/93/51/1040429351.db2.gz AOIUEUQNDLFWDY-LLVKDONJSA-N -1 0 348.328 3.932 20 0 EHADRM CC(C)C[C@@H]1CCCN1C(=O)N=c1[n-]nc(/C=C\c2ccco2)s1 ZINC000486881877 1040509815 /nfs/dbraw/zinc/50/98/15/1040509815.db2.gz RSIZCIVKULCRAJ-WSROAFLRSA-N -1 0 346.456 3.766 20 0 EHADRM CSc1nc(=NC(=O)N[C@H]2CCC[C@H](c3ccccc3)C2)s[n-]1 ZINC000486916504 1040546440 /nfs/dbraw/zinc/54/64/40/1040546440.db2.gz UIIPGHAVKNWOBM-STQMWFEESA-N -1 0 348.497 3.530 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)NC1(c2ccccc2)CCCCC1 ZINC000553934229 1040608865 /nfs/dbraw/zinc/60/88/65/1040608865.db2.gz ANXDHEMZXFOGRL-UHFFFAOYSA-N -1 0 337.419 3.903 20 0 EHADRM COc1cc(/C=C/c2nc(C(=O)[O-])c(C)s2)cc(Cl)c1O ZINC000555463266 1040625299 /nfs/dbraw/zinc/62/52/99/1040625299.db2.gz DJDOTQFCYQYXJX-ONEGZZNKSA-N -1 0 325.773 3.688 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3CCC[C@H](c4ccccc4)CC3)(CC1)C2 ZINC000908775796 1040633362 /nfs/dbraw/zinc/63/33/62/1040633362.db2.gz KHGGMCCOCHGIRF-RPCJCACASA-N -1 0 341.451 3.818 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N2CCC[C@@]3(CC=CCC3)C2)s1 ZINC000512719309 1040636076 /nfs/dbraw/zinc/63/60/76/1040636076.db2.gz BGBAEKVTASECLT-KRWDZBQOSA-N -1 0 334.489 3.657 20 0 EHADRM CCc1n[n-]c(=NC(=O)N(CC)C[C@H](CC)c2ccccc2)s1 ZINC000479820546 1040644438 /nfs/dbraw/zinc/64/44/38/1040644438.db2.gz CGPULINPZAKCKM-ZDUSSCGKSA-N -1 0 332.473 3.570 20 0 EHADRM Cc1cc(/C=C/c2nc3ccc(C(=O)[O-])cc3o2)ccc1-n1cncn1 ZINC000555468355 1040663498 /nfs/dbraw/zinc/66/34/98/1040663498.db2.gz ZPTBOAWOVPUNSP-XVNBXDOJSA-N -1 0 346.346 3.586 20 0 EHADRM Cc1cccc([C@H]2CCCCN2C(=O)c2ccoc2CC(=O)[O-])c1C ZINC000908832377 1040680252 /nfs/dbraw/zinc/68/02/52/1040680252.db2.gz BIJWMSSRJAHJNN-QGZVFWFLSA-N -1 0 341.407 3.891 20 0 EHADRM Cc1cc(C)c(CC(=O)N[C@H](CCC(=O)[O-])c2ccccc2)s1 ZINC000908936926 1040714134 /nfs/dbraw/zinc/71/41/34/1040714134.db2.gz PTJYHVZHOAVCKL-OAHLLOKOSA-N -1 0 331.437 3.630 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 ZINC000908962616 1040724363 /nfs/dbraw/zinc/72/43/63/1040724363.db2.gz MWMPFYPMDDDDQQ-LLVKDONJSA-N -1 0 331.334 3.678 20 0 EHADRM CCCN(CCC)C(=O)c1ccc(Nc2cc(=O)[n-]c(Cl)n2)cc1 ZINC001211762300 1040757265 /nfs/dbraw/zinc/75/72/65/1040757265.db2.gz JOMKMOGEGUFOHL-UHFFFAOYSA-N -1 0 348.834 3.841 20 0 EHADRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(C2CCC2)cc1 ZINC000192196316 1040763727 /nfs/dbraw/zinc/76/37/27/1040763727.db2.gz RAZOEULADLQZNA-IBGZPJMESA-N -1 0 332.403 3.593 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(NCc2ccsc2)cc1 ZINC000909054400 1040779754 /nfs/dbraw/zinc/77/97/54/1040779754.db2.gz NPSGMUDJCQVHLR-SFHVURJKSA-N -1 0 346.452 3.733 20 0 EHADRM Cc1ccccc1[C@H](C)C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000909065134 1040788019 /nfs/dbraw/zinc/78/80/19/1040788019.db2.gz IYNFFDHPFMBUAY-HDMKZQKVSA-N -1 0 325.408 3.677 20 0 EHADRM CC(C)OCc1cccc(-c2ccc3c(c2)[C@H](CC(=O)[O-])C(=O)N3)c1 ZINC000899633695 1040884126 /nfs/dbraw/zinc/88/41/26/1040884126.db2.gz HFEBJVUWMDXSRY-KRWDZBQOSA-N -1 0 339.391 3.789 20 0 EHADRM Cc1ccc(CCC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)s1 ZINC000909297884 1040914683 /nfs/dbraw/zinc/91/46/83/1040914683.db2.gz QFPPNMFKUCFYDF-UHFFFAOYSA-N -1 0 331.437 3.990 20 0 EHADRM C[C@@H](Cc1ccco1)C(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1 ZINC000659158857 1040930148 /nfs/dbraw/zinc/93/01/48/1040930148.db2.gz PCRBVLAHEZABQO-HOCLYGCPSA-N -1 0 335.444 3.778 20 0 EHADRM C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000481484564 1040958010 /nfs/dbraw/zinc/95/80/10/1040958010.db2.gz KSUHSYYVZBNZSJ-QWRGUYRKSA-N -1 0 344.381 3.596 20 0 EHADRM COc1ccc2c(c1)CCN(Cc1ccc(Cl)cc1C(=O)[O-])C2 ZINC001142643014 1040987920 /nfs/dbraw/zinc/98/79/20/1040987920.db2.gz ADORPMCSKOCZLU-UHFFFAOYSA-N -1 0 331.799 3.605 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cccc(C)c2)noc1-c1ccccc1F ZINC000433179103 1041024397 /nfs/dbraw/zinc/02/43/97/1041024397.db2.gz XONOPWCYUNBGPB-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM CC[C@@](CNC(=O)CC(C)(C)CC(F)F)(C(=O)[O-])c1ccccc1 ZINC000909842517 1041036498 /nfs/dbraw/zinc/03/64/98/1041036498.db2.gz DFQKBXLQCWRJIX-SFHVURJKSA-N -1 0 341.398 3.607 20 0 EHADRM O=C([O-])c1cccc2c1CN(C(=O)[C@@H]1CCC[C@H]1c1ccccc1)CC2 ZINC000909868423 1041040199 /nfs/dbraw/zinc/04/01/99/1041040199.db2.gz HORAVHQFZZZWKP-ZWKOTPCHSA-N -1 0 349.430 3.853 20 0 EHADRM Cc1ccc([C@H](CC(=O)N[C@@H](C)c2ccc(F)cc2F)C(=O)[O-])cc1 ZINC000899758684 1041063628 /nfs/dbraw/zinc/06/36/28/1041063628.db2.gz JJDCJHBJEFDPAQ-LRDDRELGSA-N -1 0 347.361 3.709 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N[C@H](C)c2ccc(F)cc2F)C(=O)[O-])cc1 ZINC000899758685 1041063876 /nfs/dbraw/zinc/06/38/76/1041063876.db2.gz JJDCJHBJEFDPAQ-MLGOLLRUSA-N -1 0 347.361 3.709 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)ccc1Cl ZINC000193487502 1041068482 /nfs/dbraw/zinc/06/84/82/1041068482.db2.gz RUHVVOGEIURTQO-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CCOc1ccccc1NC(=O)C[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000899760921 1041088297 /nfs/dbraw/zinc/08/82/97/1041088297.db2.gz APQRZTATLPLDJZ-OAHLLOKOSA-N -1 0 327.380 3.591 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000899762026 1041088601 /nfs/dbraw/zinc/08/86/01/1041088601.db2.gz MLSNOHOCRJTCSJ-MAUKXSAKSA-N -1 0 329.396 3.622 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000899762990 1041090609 /nfs/dbraw/zinc/09/06/09/1041090609.db2.gz YGSCBMIYFGOSST-GFCCVEGCSA-N -1 0 330.384 3.781 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3CC[C@@H](C4CCCCC4)C3)(CC1)CC2 ZINC000909956465 1041096233 /nfs/dbraw/zinc/09/62/33/1041096233.db2.gz BJJAHEHAHNTCOC-PBPGXSGUSA-N -1 0 333.472 3.840 20 0 EHADRM COc1ccc(NC(=O)C[C@@H](C(=O)[O-])c2ccc(C)cc2)c(C)c1 ZINC000899767894 1041096981 /nfs/dbraw/zinc/09/69/81/1041096981.db2.gz UTHWQZBHWIUOQT-MRXNPFEDSA-N -1 0 327.380 3.509 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])C[C@@H]1C(=O)Nc1ccccc1CCC(F)(F)F ZINC000899773742 1041110912 /nfs/dbraw/zinc/11/09/12/1041110912.db2.gz NHQJARGJAJPCOD-MLGOLLRUSA-N -1 0 343.345 3.867 20 0 EHADRM Cc1ccc([C@H](CC(=O)N[C@@H]2C[C@H]2c2ccccc2C)C(=O)[O-])cc1 ZINC000899789298 1041126691 /nfs/dbraw/zinc/12/66/91/1041126691.db2.gz RQLNTAAUMVBLTH-GBESFXJTSA-N -1 0 337.419 3.534 20 0 EHADRM Cc1ccc([C@@H](CC(=O)Nc2ccccc2OCCF)C(=O)[O-])cc1 ZINC000899789427 1041127439 /nfs/dbraw/zinc/12/74/39/1041127439.db2.gz NFQOQWBUOIHMLN-OAHLLOKOSA-N -1 0 345.370 3.540 20 0 EHADRM Cc1cc(NC(=O)CCCCC(=O)[O-])ccc1Oc1ccncc1 ZINC000655544338 1041135987 /nfs/dbraw/zinc/13/59/87/1041135987.db2.gz ORWWCHCBDNMDNU-UHFFFAOYSA-N -1 0 328.368 3.766 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)NCc1ccnc(-c2ccccc2)c1 ZINC000899795049 1041146618 /nfs/dbraw/zinc/14/66/18/1041146618.db2.gz RVSWUNFIIHHSNC-KRWDZBQOSA-N -1 0 340.423 3.502 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)C[C@@H](C(=O)[O-])c2ccc(C)cc2)s1 ZINC000899810981 1041155827 /nfs/dbraw/zinc/15/58/27/1041155827.db2.gz YVLHNOATKAWDEB-SUMWQHHRSA-N -1 0 345.464 3.671 20 0 EHADRM C/C=C(/CC)C(=O)N1CCC([C@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000910034608 1041156938 /nfs/dbraw/zinc/15/69/38/1041156938.db2.gz VYTBPPHBEPKZCV-TUEGSCMLSA-N -1 0 329.440 3.840 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000899813877 1041159591 /nfs/dbraw/zinc/15/95/91/1041159591.db2.gz VWRJOTTXSRCFTJ-MRVPVSSYSA-N -1 0 333.215 3.651 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N(C)[C@H](C)c2ccccc2F)C(=O)[O-])cc1 ZINC000899814629 1041159824 /nfs/dbraw/zinc/15/98/24/1041159824.db2.gz RPZLHYNUXNZTCP-RHSMWYFYSA-N -1 0 343.398 3.912 20 0 EHADRM Cc1ncoc1-c1ccc(NC(=O)[C@@H](CC(=O)[O-])CC(C)C)cc1 ZINC000899834789 1041179562 /nfs/dbraw/zinc/17/95/62/1041179562.db2.gz KWXKDBGEUIXELA-CQSZACIVSA-N -1 0 330.384 3.726 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)C[C@@H](C(=O)[O-])c1ccc(C)cc1)C(F)(F)F ZINC000899829499 1041188375 /nfs/dbraw/zinc/18/83/75/1041188375.db2.gz CSAALWCYPNPIRQ-NJZAAPMLSA-N -1 0 345.361 3.647 20 0 EHADRM Cc1ccc(CC[C@@H](C)NC(=O)C[C@@H](C(=O)[O-])c2ccc(C)cc2)o1 ZINC000899831776 1041193126 /nfs/dbraw/zinc/19/31/26/1041193126.db2.gz YVZCVQFCVLIORV-RDTXWAMCSA-N -1 0 343.423 3.592 20 0 EHADRM CCC[C@@]1(C(=O)[O-])CCCN1C(=O)c1cc(C)n(C2CCCCC2)n1 ZINC000910116669 1041195324 /nfs/dbraw/zinc/19/53/24/1041195324.db2.gz XWOPZPUFFWEGGL-IBGZPJMESA-N -1 0 347.459 3.556 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1ccccc1Oc1ccccn1 ZINC000899842617 1041204589 /nfs/dbraw/zinc/20/45/89/1041204589.db2.gz LEDNKSXUXOXJAL-CQSZACIVSA-N -1 0 342.395 3.949 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)Nc1cccc(COC(C)(C)C)c1)C(=O)[O-] ZINC000899843640 1041205371 /nfs/dbraw/zinc/20/53/71/1041205371.db2.gz VABCRZWSLBOGNM-NWDGAFQWSA-N -1 0 339.457 3.535 20 0 EHADRM CC1(C)C[C@H](CNC(=O)CC2(CC(=O)[O-])CCCCC2)C(C)(C)O1 ZINC000899847523 1041206922 /nfs/dbraw/zinc/20/69/22/1041206922.db2.gz OOZKWFNLXCBHSU-CQSZACIVSA-N -1 0 339.476 3.512 20 0 EHADRM Cc1ccc(C)c(C(=O)NCC[C@H]2CCC(F)(F)C2)c1C(=O)[O-] ZINC000899852674 1041211359 /nfs/dbraw/zinc/21/13/59/1041211359.db2.gz INFSWCVPBKMWEI-GFCCVEGCSA-N -1 0 325.355 3.557 20 0 EHADRM CC[C@H](CCc1ccccc1)NC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000910205046 1041226501 /nfs/dbraw/zinc/22/65/01/1041226501.db2.gz IROQFWSQPLCQPZ-MDMXATFFSA-N -1 0 343.467 3.939 20 0 EHADRM Cc1cccc([C@H](NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)C(F)(F)F)c1 ZINC000432101155 1041595462 /nfs/dbraw/zinc/59/54/62/1041595462.db2.gz YKWTYVBAFKMDPG-MCIONIFRSA-N -1 0 343.345 3.606 20 0 EHADRM O=C([O-])c1coc(C(=O)NC2(c3cccc(Cl)c3)CCCC2)c1 ZINC000432122645 1041618512 /nfs/dbraw/zinc/61/85/12/1041618512.db2.gz OETGKPARISPGJX-UHFFFAOYSA-N -1 0 333.771 3.831 20 0 EHADRM CCOc1ccc([C@@H](C)N=c2[n-]nc(C3CC3)s2)cc1OCC ZINC000432122671 1041618782 /nfs/dbraw/zinc/61/87/82/1041618782.db2.gz OMFKCVVOUCNVAV-LLVKDONJSA-N -1 0 333.457 3.808 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000659165675 1041623739 /nfs/dbraw/zinc/62/37/39/1041623739.db2.gz BNOLBGPLOPSQPS-ZJUUUORDSA-N -1 0 327.833 3.891 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2O)cc1 ZINC000468818580 1041634207 /nfs/dbraw/zinc/63/42/07/1041634207.db2.gz DBZJMUDIVSGVQC-LBPRGKRZSA-N -1 0 335.425 3.715 20 0 EHADRM Cc1ccc([C@@H]2CCCN2Cc2c([O-])nnn2-c2ccccc2)cc1 ZINC000511815448 1041651515 /nfs/dbraw/zinc/65/15/15/1041651515.db2.gz XNECNIAMPYQKOI-SFHVURJKSA-N -1 0 334.423 3.618 20 0 EHADRM Cc1cccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)c1C ZINC000013173709 1041667148 /nfs/dbraw/zinc/66/71/48/1041667148.db2.gz IBNXOJKNSTYRQL-MRXNPFEDSA-N -1 0 331.799 3.903 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1cccc(OC2CCCC2)c1 ZINC000044830920 1041993459 /nfs/dbraw/zinc/99/34/59/1041993459.db2.gz NJIZEKHTCPTXSV-IAGOWNOFSA-N -1 0 329.396 3.614 20 0 EHADRM Cc1cc(-c2cccc(F)c2)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC000662883288 1042183565 /nfs/dbraw/zinc/18/35/65/1042183565.db2.gz LCAPEXFSIHOCOI-UHFFFAOYSA-N -1 0 343.402 3.672 20 0 EHADRM O=C(NCCCn1ccc2ccccc21)c1cc(F)c([O-])c(Cl)c1 ZINC000184188286 1042209553 /nfs/dbraw/zinc/20/95/53/1042209553.db2.gz HSDMGTQXAGBGGF-UHFFFAOYSA-N -1 0 346.789 3.960 20 0 EHADRM COc1ccccc1C1(NC(=O)c2cccc(Cl)c2[O-])CCC1 ZINC001126142534 1042314893 /nfs/dbraw/zinc/31/48/93/1042314893.db2.gz GFRQJONQJKKORU-UHFFFAOYSA-N -1 0 331.799 3.863 20 0 EHADRM CCOCc1ccccc1CNC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184244319 1042361300 /nfs/dbraw/zinc/36/13/00/1042361300.db2.gz OEYKNCONZMOSLL-UHFFFAOYSA-N -1 0 337.778 3.651 20 0 EHADRM O=C(NCCOc1cccc(Cl)c1)c1cc(F)c([O-])c(Cl)c1 ZINC000184267843 1042390330 /nfs/dbraw/zinc/39/03/30/1042390330.db2.gz BMDGGLTZIHDDOK-UHFFFAOYSA-N -1 0 344.169 3.647 20 0 EHADRM Cc1csc(Sc2ccc(NC(=O)C3(C(=O)[O-])CCC3)cc2)n1 ZINC000663074100 1042422337 /nfs/dbraw/zinc/42/23/37/1042422337.db2.gz IPRKIDYAFKGTSJ-UHFFFAOYSA-N -1 0 348.449 3.796 20 0 EHADRM O=C(Nc1ccc(N2CCCCC2)cn1)c1cc(F)c([O-])c(Cl)c1 ZINC000184305582 1042440211 /nfs/dbraw/zinc/44/02/11/1042440211.db2.gz IFFKLVJGOIOLJJ-UHFFFAOYSA-N -1 0 349.793 3.822 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2sccc2C2CC2)n1 ZINC000659184647 1042456618 /nfs/dbraw/zinc/45/66/18/1042456618.db2.gz HMKBLOAHZMMQPV-LBPRGKRZSA-N -1 0 333.413 3.500 20 0 EHADRM Cc1ccccc1[C@@H](C(=O)[O-])N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000652434885 1042474676 /nfs/dbraw/zinc/47/46/76/1042474676.db2.gz GXWGRSXOWZTYHQ-KDOFPFPSSA-N -1 0 345.826 3.927 20 0 EHADRM Cc1ccccc1[C@@H](C(=O)[O-])N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000652434886 1042474787 /nfs/dbraw/zinc/47/47/87/1042474787.db2.gz GXWGRSXOWZTYHQ-KSSFIOAISA-N -1 0 345.826 3.927 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(OC(F)(F)F)cc2Cl)CC=CC1 ZINC000663146531 1042491632 /nfs/dbraw/zinc/49/16/32/1042491632.db2.gz DNUWEOIARORVNI-UHFFFAOYSA-N -1 0 349.692 3.598 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1sccc1-c1ccccc1)C1CCC1 ZINC000663147308 1042494308 /nfs/dbraw/zinc/49/43/08/1042494308.db2.gz MRNARLNEKIYKNK-OAHLLOKOSA-N -1 0 329.421 3.646 20 0 EHADRM C[C@@H](CC(=O)NC[C@@H](C(=O)[O-])C1CCC1)Cc1ccc(Cl)cc1 ZINC000663154008 1042496545 /nfs/dbraw/zinc/49/65/45/1042496545.db2.gz VGOMEEANRSMQCR-MLGOLLRUSA-N -1 0 337.847 3.526 20 0 EHADRM O=C([O-])[C@H](CNC(=O)CCCc1ccc2ccccc2c1)C1CCC1 ZINC000663153340 1042496691 /nfs/dbraw/zinc/49/66/91/1042496691.db2.gz OEOACZUKMSYPIK-LJQANCHMSA-N -1 0 339.435 3.780 20 0 EHADRM O=C([O-])CN(Cc1csc(Nc2ccccc2)n1)C1CCCCC1 ZINC000652482778 1042500385 /nfs/dbraw/zinc/50/03/85/1042500385.db2.gz UQWDBGQNQMWWCW-UHFFFAOYSA-N -1 0 345.468 3.528 20 0 EHADRM C[C@@H](c1cc(Cl)ccc1Cl)N1CCSC[C@H]1CC(=O)[O-] ZINC000251231455 1042541052 /nfs/dbraw/zinc/54/10/52/1042541052.db2.gz BHWVLQXYQXWOIA-GXSJLCMTSA-N -1 0 334.268 3.947 20 0 EHADRM Cc1cccc2c1CCC[C@@H]2NC(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC000663228566 1042574099 /nfs/dbraw/zinc/57/40/99/1042574099.db2.gz JPARYCBIQDDNLI-OALUTQOASA-N -1 0 337.419 3.747 20 0 EHADRM CCc1nc(CN[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)cs1 ZINC000663260947 1042609819 /nfs/dbraw/zinc/60/98/19/1042609819.db2.gz FFEPDGIUWUDNQP-ZDUSSCGKSA-N -1 0 344.358 3.640 20 0 EHADRM CCc1nc(CN[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)cs1 ZINC000663260946 1042610133 /nfs/dbraw/zinc/61/01/33/1042610133.db2.gz FFEPDGIUWUDNQP-CYBMUJFWSA-N -1 0 344.358 3.640 20 0 EHADRM O=C([O-])c1ccc(NN=Cc2cc(Br)cs2)cc1 ZINC000254792993 1042619566 /nfs/dbraw/zinc/61/95/66/1042619566.db2.gz UZUDFVMVQQIRSJ-UHFFFAOYSA-N -1 0 325.187 3.655 20 0 EHADRM COC(=O)[C@H](C)Cc1ccc(NC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000185100311 1042624889 /nfs/dbraw/zinc/62/48/89/1042624889.db2.gz NNRLMJPPZJPGBB-LLVKDONJSA-N -1 0 347.798 3.650 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000328321494 1042636000 /nfs/dbraw/zinc/63/60/00/1042636000.db2.gz CRRUADCFMNTCJX-GDLCADMTSA-N -1 0 341.329 3.550 20 0 EHADRM CCOc1ccc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)cc1F ZINC000055151291 1042695743 /nfs/dbraw/zinc/69/57/43/1042695743.db2.gz AQXGZBMAZXNTAG-LJQANCHMSA-N -1 0 345.370 3.596 20 0 EHADRM O=C([O-])[C@H](CNC(=O)Nc1cc(C(F)F)ccc1Cl)C1CCC1 ZINC000663349056 1042739167 /nfs/dbraw/zinc/73/91/67/1042739167.db2.gz CBNWFHVMUUNZAJ-SNVBAGLBSA-N -1 0 346.761 3.900 20 0 EHADRM O=S(=O)([N-]c1nc2c(ccc3c2CCCC3)s1)c1ccoc1 ZINC000350117107 1042775206 /nfs/dbraw/zinc/77/52/06/1042775206.db2.gz DAEGLWJWDLWXOV-UHFFFAOYSA-N -1 0 334.422 3.569 20 0 EHADRM C[C@H](NCc1sccc1Br)c1ncc(C(=O)[O-])s1 ZINC000314712660 1042980794 /nfs/dbraw/zinc/98/07/94/1042980794.db2.gz WRIHBEZPTVPJIE-LURJTMIESA-N -1 0 347.259 3.516 20 0 EHADRM C[C@]1(CNC(=O)c2ccc(C(=O)[O-])cc2F)CCCc2ccccc21 ZINC000432132523 1043013482 /nfs/dbraw/zinc/01/34/82/1043013482.db2.gz DEELYPRYCSWZPF-HXUWFJFHSA-N -1 0 341.382 3.548 20 0 EHADRM Cc1ccc(SCCC(=O)NCC2(C(=O)[O-])CCCC2)cc1C ZINC000322117835 1043017485 /nfs/dbraw/zinc/01/74/85/1043017485.db2.gz WEHNWIRRYGHNPJ-UHFFFAOYSA-N -1 0 335.469 3.547 20 0 EHADRM Cn1cccc1[C@H]1CCCCCN1C(=O)c1s[n-]c(=O)c1Cl ZINC000283043688 1043111299 /nfs/dbraw/zinc/11/12/99/1043111299.db2.gz SAZDJXKRFAFNHM-LLVKDONJSA-N -1 0 339.848 3.598 20 0 EHADRM Cc1ccnc(Cl)c1NS(=O)(=O)c1cccc2ccccc21 ZINC000318378764 1043339585 /nfs/dbraw/zinc/33/95/85/1043339585.db2.gz BMYPEBZYXGIHTL-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2cccc3ccncc32)CCCCC1 ZINC000325394998 1043353867 /nfs/dbraw/zinc/35/38/67/1043353867.db2.gz NKISKZCEFKOEBG-UHFFFAOYSA-N -1 0 326.396 3.989 20 0 EHADRM O=S(=O)([N-]c1nc(/C=C\c2ccccc2)cs1)c1cccnc1 ZINC000344237184 1043499845 /nfs/dbraw/zinc/49/98/45/1043499845.db2.gz AUEDIRLFBIYTFO-HJWRWDBZSA-N -1 0 343.433 3.509 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N[C@H]2CCCc3ccc(C)cc32)s1 ZINC000344255331 1043543888 /nfs/dbraw/zinc/54/38/88/1043543888.db2.gz PJFRIJCFEPXMGF-ZDUSSCGKSA-N -1 0 348.497 3.580 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000327654132 1043587341 /nfs/dbraw/zinc/58/73/41/1043587341.db2.gz WQGSWDVWPQYMDK-INIZCTEOSA-N -1 0 339.435 3.826 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N[C@H]2c3ccccc3O[C@H]2C)s1 ZINC000344298472 1043620138 /nfs/dbraw/zinc/62/01/38/1043620138.db2.gz DUYAYTRYHGPVDH-IINYFYTJSA-N -1 0 346.456 3.507 20 0 EHADRM O=C([N-]c1nnc(-c2ccsc2)s1)c1c(F)ccc(F)c1F ZINC000163150282 1043911737 /nfs/dbraw/zinc/91/17/37/1043911737.db2.gz ASZDWKUNJMDBLY-UHFFFAOYSA-N -1 0 341.339 3.936 20 0 EHADRM CC[C@H](NC(=O)c1nn(-c2ccccc2F)cc1[O-])c1cccs1 ZINC000344806452 1044453206 /nfs/dbraw/zinc/45/32/06/1044453206.db2.gz GIVKHIWFMAONOL-LBPRGKRZSA-N -1 0 345.399 3.660 20 0 EHADRM O=C(Nc1cccc(Cl)c1)c1nn(-c2ccccc2F)cc1[O-] ZINC000344862946 1044542664 /nfs/dbraw/zinc/54/26/64/1044542664.db2.gz LFNQSQUQTFMHHB-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM CCCC(CCC)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000236768847 1044870734 /nfs/dbraw/zinc/87/07/34/1044870734.db2.gz OJCDVPBJPBYJAT-UHFFFAOYSA-N -1 0 342.439 3.967 20 0 EHADRM CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000620427632 1125569847 /nfs/dbraw/zinc/56/98/47/1125569847.db2.gz BGGPAWPOMRDEBF-PHTAMDTFSA-N -1 0 345.830 3.634 20 0 EHADRM Cc1ccc(C)c([N-]S(=O)(=O)c2onc(C3CC3)c2Cl)c1 ZINC000634784810 1125586060 /nfs/dbraw/zinc/58/60/60/1125586060.db2.gz GKHVTGJNIHRVQU-UHFFFAOYSA-N -1 0 326.805 3.623 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)c2cc3ccc(F)cc3s2)s1 ZINC000620651831 1125622653 /nfs/dbraw/zinc/62/26/53/1125622653.db2.gz SAPKGYMNZNZTTK-UHFFFAOYSA-N -1 0 335.429 3.909 20 0 EHADRM C[C@H]1CCN(C(=O)c2s[n-]c(=O)c2Cl)CC12CCCCC2 ZINC000622514334 1126713518 /nfs/dbraw/zinc/71/35/18/1126713518.db2.gz QRKZOLBISLLBBW-JTQLQIEISA-N -1 0 328.865 3.935 20 0 EHADRM CC(C)(C)C1CCN(C(=O)c2nn(-c3ccccc3F)cc2[O-])CC1 ZINC000172131194 1126782181 /nfs/dbraw/zinc/78/21/81/1126782181.db2.gz DZDGJKJEQVVCAO-UHFFFAOYSA-N -1 0 345.418 3.615 20 0 EHADRM CCCCOc1ccc(OC)cc1NC(=O)c1cccc(F)c1[O-] ZINC001124976363 1126820537 /nfs/dbraw/zinc/82/05/37/1126820537.db2.gz WJSVOGPLYVCKIB-UHFFFAOYSA-N -1 0 333.359 3.971 20 0 EHADRM C[C@](CC(=O)Nc1cccc(C(F)F)c1)(C(=O)[O-])c1ccccc1 ZINC000337724616 1126826322 /nfs/dbraw/zinc/82/63/22/1126826322.db2.gz YTCVDTNMDLRTRN-GOSISDBHSA-N -1 0 333.334 3.995 20 0 EHADRM O=C(N=c1ccc(-c2ccc(Cl)s2)n[n-]1)C1(C(F)(F)F)CC1 ZINC000622929314 1126834815 /nfs/dbraw/zinc/83/48/15/1126834815.db2.gz LQIMVCBJIGUZCQ-UHFFFAOYSA-N -1 0 347.749 3.561 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1cc(F)c(Cl)cc1Cl ZINC000164615304 1126852096 /nfs/dbraw/zinc/85/20/96/1126852096.db2.gz GQPMJRLJKIZZMY-SMDDNHRTSA-N -1 0 334.174 3.506 20 0 EHADRM CCOCCCC(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000174913549 1126863263 /nfs/dbraw/zinc/86/32/63/1126863263.db2.gz SAWWPYQLTAPTCQ-UHFFFAOYSA-N -1 0 336.613 3.563 20 0 EHADRM CCCSCC(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000174919941 1126863616 /nfs/dbraw/zinc/86/36/16/1126863616.db2.gz NLHLAGHRVOZAAW-UHFFFAOYSA-N -1 0 338.654 3.890 20 0 EHADRM Cc1ncsc1C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000174921643 1126863770 /nfs/dbraw/zinc/86/37/70/1126863770.db2.gz XTAVWCQAWQNJJW-UHFFFAOYSA-N -1 0 347.621 3.825 20 0 EHADRM CCOc1cc(-c2noc(-c3ccc(C(C)=O)o3)n2)cc(Cl)c1[O-] ZINC000350565739 1127086953 /nfs/dbraw/zinc/08/69/53/1127086953.db2.gz ASKWBQSIVJKGKH-UHFFFAOYSA-N -1 0 348.742 3.957 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)c1Cl ZINC000180002890 1127108496 /nfs/dbraw/zinc/10/84/96/1127108496.db2.gz WOAKHKRXRXZOFR-UHFFFAOYSA-N -1 0 349.839 3.968 20 0 EHADRM Cc1cccc(Oc2ccc(S(=O)(=O)[N-]c3cnoc3)cc2)c1 ZINC000623946497 1127219847 /nfs/dbraw/zinc/21/98/47/1127219847.db2.gz LIBINEJSERGDRX-UHFFFAOYSA-N -1 0 330.365 3.576 20 0 EHADRM O=C(Nc1nc(-c2ccc[nH]2)cs1)c1ccc2[n-]c(=S)oc2c1 ZINC000073304783 1127238600 /nfs/dbraw/zinc/23/86/00/1127238600.db2.gz QBZAIIUZRHHWHY-UHFFFAOYSA-N -1 0 342.405 3.820 20 0 EHADRM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)c(C)c1 ZINC000181195842 1127269534 /nfs/dbraw/zinc/26/95/34/1127269534.db2.gz CIKHRQQQUPFRPA-UHFFFAOYSA-N -1 0 344.358 3.826 20 0 EHADRM Cc1cccc(CS(=O)(=O)[N-][C@@H](C2CCCC2)C(F)(F)F)c1 ZINC000182792160 1127347701 /nfs/dbraw/zinc/34/77/01/1127347701.db2.gz IYEXDLCKEZAGJF-AWEZNQCLSA-N -1 0 335.391 3.536 20 0 EHADRM CCc1noc2ncc(S(=O)(=O)[N-]c3ccccc3C(C)C)cc12 ZINC000185567180 1127428134 /nfs/dbraw/zinc/42/81/34/1127428134.db2.gz JFJLRDFKBIRPRI-UHFFFAOYSA-N -1 0 345.424 3.709 20 0 EHADRM O=S(=O)([N-]c1cnn(C2CCCC2)c1)c1cc(F)cc(Cl)c1 ZINC000901767785 1127442771 /nfs/dbraw/zinc/44/27/71/1127442771.db2.gz SZIMYJIHBFHSIL-UHFFFAOYSA-N -1 0 343.811 3.592 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2nnc(C3CCCCC3)o2)c(C)c1 ZINC000194783536 1127466995 /nfs/dbraw/zinc/46/69/95/1127466995.db2.gz QSKYEDBVOQVNTE-UHFFFAOYSA-N -1 0 349.456 3.843 20 0 EHADRM CCSc1ccc(Cl)cc1[N-]C(=S)NCc1ccon1 ZINC000764476220 1127497856 /nfs/dbraw/zinc/49/78/56/1127497856.db2.gz BNLYKZLZZPEDHD-UHFFFAOYSA-N -1 0 327.862 3.927 20 0 EHADRM CC[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1)c1ccc(F)cc1 ZINC000764785312 1127535703 /nfs/dbraw/zinc/53/57/03/1127535703.db2.gz ZITCDQUDWBABBA-DYVFJYSZSA-N -1 0 349.427 3.527 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000387130676 1127727120 /nfs/dbraw/zinc/72/71/20/1127727120.db2.gz NIDIPPFRDGYFTA-UHFFFAOYSA-N -1 0 338.190 3.664 20 0 EHADRM CCOc1ccc(NC(=O)c2cccc(F)c2[O-])c2ncccc12 ZINC001127936281 1127735221 /nfs/dbraw/zinc/73/52/21/1127735221.db2.gz SWNZEARLYILVFZ-UHFFFAOYSA-N -1 0 326.327 3.731 20 0 EHADRM CCCc1ccccc1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000387391982 1127758062 /nfs/dbraw/zinc/75/80/62/1127758062.db2.gz CLOIJLHDZGQWED-UHFFFAOYSA-N -1 0 328.796 3.627 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cc1OC1CCCC1)c1ccoc1 ZINC000671660650 1127769169 /nfs/dbraw/zinc/76/91/69/1127769169.db2.gz OWNUVMLVQROMTF-UHFFFAOYSA-N -1 0 325.361 3.541 20 0 EHADRM O=S(=O)([N-]c1csc(-c2ccccc2)n1)c1cccc(F)c1 ZINC000671663482 1127773525 /nfs/dbraw/zinc/77/35/25/1127773525.db2.gz PDSOUVRDWOTTBQ-UHFFFAOYSA-N -1 0 334.397 3.750 20 0 EHADRM N#Cc1ccc(C(=O)[O-])nc1/C=C/c1ccccc1Br ZINC000031732917 1127839835 /nfs/dbraw/zinc/83/98/35/1127839835.db2.gz XGASDVZKNYIXIA-FNORWQNLSA-N -1 0 329.153 3.584 20 0 EHADRM O=S(=O)([N-]c1ccccc1O)c1ccc(Cl)c2ccccc21 ZINC000032601976 1127854644 /nfs/dbraw/zinc/85/46/44/1127854644.db2.gz WRXLHYFLFOJIQS-UHFFFAOYSA-N -1 0 333.796 4.000 20 0 EHADRM Cc1ccc(S[C@H](C)C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000347506074 1128022891 /nfs/dbraw/zinc/02/28/91/1128022891.db2.gz AHCDBFAGSRUXMM-CABCVRRESA-N -1 0 335.469 3.579 20 0 EHADRM Cc1ccc(S[C@@H](C)C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000347506077 1128022901 /nfs/dbraw/zinc/02/29/01/1128022901.db2.gz AHCDBFAGSRUXMM-GJZGRUSLSA-N -1 0 335.469 3.579 20 0 EHADRM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)[C@@H]1CCCc2ccccc21 ZINC000060347129 1128097612 /nfs/dbraw/zinc/09/76/12/1128097612.db2.gz VBGQMZGZJUXFMX-MRXNPFEDSA-N -1 0 335.363 3.501 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1 ZINC000060436738 1128101544 /nfs/dbraw/zinc/10/15/44/1128101544.db2.gz PDORWJMVSZDRNQ-UHFFFAOYSA-N -1 0 333.356 3.627 20 0 EHADRM O=S(=O)([N-]c1ccccc1Oc1ccccc1)c1cncc(F)c1 ZINC000063476355 1128145707 /nfs/dbraw/zinc/14/57/07/1128145707.db2.gz VMJSIUSAZPDLQZ-UHFFFAOYSA-N -1 0 344.367 3.814 20 0 EHADRM O=C(CCc1ccc(-c2ccccc2)o1)[N-]S(=O)(=O)CC1CC1 ZINC000073537944 1128395580 /nfs/dbraw/zinc/39/55/80/1128395580.db2.gz LVSXRKXVFRLYRH-UHFFFAOYSA-N -1 0 333.409 3.576 20 0 EHADRM CCC[C@@H](CNC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)[O-] ZINC000387882297 1128453281 /nfs/dbraw/zinc/45/32/81/1128453281.db2.gz PKKBNZXILVZIKZ-QMMMGPOBSA-N -1 0 343.807 3.925 20 0 EHADRM C[C@H](NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)c1csc2ccccc21 ZINC000780566181 1128473906 /nfs/dbraw/zinc/47/39/06/1128473906.db2.gz PZRKINAKSNMNEN-IINYFYTJSA-N -1 0 334.441 3.761 20 0 EHADRM O=C(Nc1nc(Cc2ccccc2)ns1)c1ccc([O-])c(Cl)c1 ZINC000107356584 1128534471 /nfs/dbraw/zinc/53/44/71/1128534471.db2.gz KQPXMZQJXSSQPF-UHFFFAOYSA-N -1 0 345.811 3.740 20 0 EHADRM O=S(=O)([N-]c1nc2ccccc2s1)c1ccc(F)c(Cl)c1 ZINC000057724340 1128662436 /nfs/dbraw/zinc/66/24/36/1128662436.db2.gz GDHLWTDBFDTJAT-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM O=S(=O)([N-]c1ccccc1OCC1CC1)c1cc(F)cc(F)c1 ZINC000303854839 1128703178 /nfs/dbraw/zinc/70/31/78/1128703178.db2.gz OTSVIVXEPOGVTC-UHFFFAOYSA-N -1 0 339.363 3.554 20 0 EHADRM Cc1cc(C)c(Nc2cc(Cl)ccc2N)c(S(=O)(=O)[O-])c1 ZINC001212439747 1128792377 /nfs/dbraw/zinc/79/23/77/1128792377.db2.gz YLUIADSJMSIZBG-UHFFFAOYSA-N -1 0 326.805 3.529 20 0 EHADRM CN(C1CC(C)(C)CC(C)(C)C1)S(=O)(=O)c1ccccc1[O-] ZINC001212442355 1128808486 /nfs/dbraw/zinc/80/84/86/1128808486.db2.gz JEGXAFXLVJFZEY-UHFFFAOYSA-N -1 0 325.474 3.618 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)CC2(C(=O)[O-])CCC2)c(F)c1 ZINC000656249373 1128834231 /nfs/dbraw/zinc/83/42/31/1128834231.db2.gz WEFFLQWSKUKOKD-UHFFFAOYSA-N -1 0 337.391 3.834 20 0 EHADRM CC(C)CCN(C(=O)c1cc(Br)ccc1O)C1CC1 ZINC000224647680 1120172541 /nfs/dbraw/zinc/17/25/41/1120172541.db2.gz UMPXVANVFARGJJ-UHFFFAOYSA-N -1 0 326.234 3.805 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000236727229 1120206468 /nfs/dbraw/zinc/20/64/68/1120206468.db2.gz WIBVVNCZDANDKK-NWDGAFQWSA-N -1 0 341.810 3.542 20 0 EHADRM C[C@@H](c1ccccc1)S(=O)(=O)c1nnc(-c2ccc(Cl)cc2)[n-]1 ZINC000195115457 1120226896 /nfs/dbraw/zinc/22/68/96/1120226896.db2.gz LTOMKTSUNIUCNV-NSHDSACASA-N -1 0 347.827 3.660 20 0 EHADRM CN(C/C=C/c1ccc(Cl)cc1)Cc1nc(=O)c2sccc2[n-]1 ZINC000185634707 1120423178 /nfs/dbraw/zinc/42/31/78/1120423178.db2.gz OPDYCLVOGCFMSD-NSCUHMNNSA-N -1 0 345.855 3.783 20 0 EHADRM CC[C@H](C)CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000190751703 1120649475 /nfs/dbraw/zinc/64/94/75/1120649475.db2.gz IBJCAZKUEXZVDV-AWEZNQCLSA-N -1 0 346.452 3.862 20 0 EHADRM CC(C)Oc1ccc(/C=C/C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000192913248 1120752928 /nfs/dbraw/zinc/75/29/28/1120752928.db2.gz XVOFIOVFJTZJGZ-VDZSZVPASA-N -1 0 345.439 3.590 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)Nc2cc(C3CCCCC3)[nH]n2)s[n-]1 ZINC000494764860 1120782212 /nfs/dbraw/zinc/78/22/12/1120782212.db2.gz JRHUBDCWJUQORT-UHFFFAOYSA-N -1 0 348.476 3.672 20 0 EHADRM CCc1cccc([N-]S(=O)(=O)c2ccccc2OC(F)F)c1 ZINC000195439150 1120784287 /nfs/dbraw/zinc/78/42/87/1120784287.db2.gz QVIVEFWHOQNUHJ-UHFFFAOYSA-N -1 0 327.352 3.651 20 0 EHADRM O=S(=O)([N-]c1cccc(C(F)F)c1)c1ccc(F)c(F)c1F ZINC000195452100 1120785261 /nfs/dbraw/zinc/78/52/61/1120785261.db2.gz PHGCZSRTCQPLJE-UHFFFAOYSA-N -1 0 337.269 3.842 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(Cl)cc1Cl ZINC000226599875 1120823120 /nfs/dbraw/zinc/82/31/20/1120823120.db2.gz AIDAUSDRIWCEAD-IIMNLJJBSA-N -1 0 342.222 3.851 20 0 EHADRM COc1ccccc1CNc1cc(Br)cc(C(=O)[O-])c1 ZINC000227668113 1120902115 /nfs/dbraw/zinc/90/21/15/1120902115.db2.gz DXAVWAIYFODHCM-UHFFFAOYSA-N -1 0 336.185 3.768 20 0 EHADRM Cc1c[nH]c(=O)n1-c1ccc(-c2noc(-c3ccc(C)cc3O)n2)cc1 ZINC000761824874 1120970807 /nfs/dbraw/zinc/97/08/07/1120970807.db2.gz MLRKRPKRALVTJK-UHFFFAOYSA-N -1 0 348.362 3.617 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000262392513 1120981331 /nfs/dbraw/zinc/98/13/31/1120981331.db2.gz NALNZYQRFPVUBR-PRIPBFSGSA-N -1 0 347.842 3.688 20 0 EHADRM CCSc1cccc([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)c1 ZINC000761954336 1121015833 /nfs/dbraw/zinc/01/58/33/1121015833.db2.gz OXLGXMXKSWGTPG-UHFFFAOYSA-N -1 0 346.836 3.787 20 0 EHADRM CCc1ccc(O)c([N-]S(=O)(=O)c2cc(C)c(Cl)s2)c1 ZINC000231809152 1121058156 /nfs/dbraw/zinc/05/81/56/1121058156.db2.gz ZNCCVUBARYZWEE-UHFFFAOYSA-N -1 0 331.846 3.779 20 0 EHADRM COc1ccc2c(c1)[C@@H](C(=O)Nc1ccc3[n-]c(=S)oc3c1)CC2 ZINC000762074634 1121092590 /nfs/dbraw/zinc/09/25/90/1121092590.db2.gz NNOXXDCVNSBNJC-ZDUSSCGKSA-N -1 0 340.404 3.794 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)cn2)c2ccccc12 ZINC000303333569 1121137026 /nfs/dbraw/zinc/13/70/26/1121137026.db2.gz DEHKKHKJKLLHHG-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)C(C)(C)CC(C)C)c(Cl)cc1F ZINC000762174072 1121145974 /nfs/dbraw/zinc/14/59/74/1121145974.db2.gz VQZHXQPMKXNDRZ-UHFFFAOYSA-N -1 0 349.855 3.665 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(Cl)sc2Cl)C1 ZINC000232764566 1121150511 /nfs/dbraw/zinc/15/05/11/1121150511.db2.gz YJXMYJRXIGNTLD-CYBMUJFWSA-N -1 0 336.240 3.628 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)/C=C/c2ccccc2F)cc1)C(=O)[O-] ZINC000762172820 1121151318 /nfs/dbraw/zinc/15/13/18/1121151318.db2.gz WPLBBDJZMMNCEJ-RUNBWSAHSA-N -1 0 327.355 3.741 20 0 EHADRM O=S(=O)([N-][C@@H]1CCCC1(F)F)c1cc(Cl)sc1Cl ZINC000672431049 1128975333 /nfs/dbraw/zinc/97/53/33/1128975333.db2.gz QWLMHZVJBRELMQ-ZCFIWIBFSA-N -1 0 336.212 3.521 20 0 EHADRM O=S(=O)([N-]c1cnccc1-c1ccccc1)c1cccnc1Cl ZINC000762502228 1121328929 /nfs/dbraw/zinc/32/89/29/1121328929.db2.gz LIWRPPCHRTWKFO-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM Cc1cc(F)c(Br)cc1NC(=O)c1c([O-])cccc1F ZINC000235852485 1121431044 /nfs/dbraw/zinc/43/10/44/1121431044.db2.gz FSGWJXMCAWSHDY-UHFFFAOYSA-N -1 0 342.139 3.994 20 0 EHADRM CCC1(C(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])CCC1 ZINC000236649055 1121458794 /nfs/dbraw/zinc/45/87/94/1121458794.db2.gz IDTQZSLCCRYOLH-SFHVURJKSA-N -1 0 339.435 3.780 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NCc1ccc(Oc2ccccc2)cc1 ZINC000236808264 1121464797 /nfs/dbraw/zinc/46/47/97/1121464797.db2.gz PFMMUBMHPMXOPX-UHFFFAOYSA-N -1 0 341.407 3.986 20 0 EHADRM C[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000237512430 1121486268 /nfs/dbraw/zinc/48/62/68/1121486268.db2.gz UOMIRXMJIWDPBV-SNVBAGLBSA-N -1 0 331.334 3.774 20 0 EHADRM O=C([O-])[C@H]1CC[C@@H](NC(=O)C2(c3cccc(Cl)c3)CCCCC2)C1 ZINC000238105097 1121502493 /nfs/dbraw/zinc/50/24/93/1121502493.db2.gz AGAFCQYYYSVQJG-XJKSGUPXSA-N -1 0 349.858 3.911 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)/C=C/c1ccc(OC(F)F)cc1 ZINC000238089624 1121502657 /nfs/dbraw/zinc/50/26/57/1121502657.db2.gz RKMHUZZUGKRVDP-JXMROGBWSA-N -1 0 347.317 3.567 20 0 EHADRM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(C)C ZINC000316021568 1121522078 /nfs/dbraw/zinc/52/20/78/1121522078.db2.gz CQQGXBLGIZCQHY-UHFFFAOYSA-N -1 0 339.438 3.679 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]c1ccccc1OC(F)(F)F ZINC000316628174 1121593500 /nfs/dbraw/zinc/59/35/00/1121593500.db2.gz NEEQCMJYWWARIN-UHFFFAOYSA-N -1 0 331.315 3.694 20 0 EHADRM CCC(=O)Nc1cccc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)c1 ZINC000762963446 1121615085 /nfs/dbraw/zinc/61/50/85/1121615085.db2.gz RFMSXZDCBIHWSS-UHFFFAOYSA-N -1 0 341.392 3.717 20 0 EHADRM Cc1ccc(OCC(=O)Nc2ccc3[n-]c(=S)oc3c2)cc1C ZINC000762965180 1121617316 /nfs/dbraw/zinc/61/73/16/1121617316.db2.gz ZUGKVLSIDGAZMW-UHFFFAOYSA-N -1 0 328.393 3.751 20 0 EHADRM O=C(Cc1cccc2cccnc21)Nc1ccc2[n-]c(=S)oc2c1 ZINC000762999557 1121647632 /nfs/dbraw/zinc/64/76/32/1121647632.db2.gz FGCMXSFEOMYFMW-UHFFFAOYSA-N -1 0 335.388 3.846 20 0 EHADRM Cc1ccc(SCC(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC000322633413 1121662595 /nfs/dbraw/zinc/66/25/95/1121662595.db2.gz WFSGSLJJHGSILP-UHFFFAOYSA-N -1 0 329.421 3.743 20 0 EHADRM O=C([O-])c1cc(/C=C\c2nccn2CC(F)(F)F)nc2ccccc21 ZINC000255074584 1129005845 /nfs/dbraw/zinc/00/58/45/1129005845.db2.gz VHOWKEDLGVYIEB-WAYWQWQTSA-N -1 0 347.296 3.862 20 0 EHADRM Cc1c(Br)cccc1-c1cncc(C2(C(=O)[O-])CC2)c1 ZINC000901096283 1121829918 /nfs/dbraw/zinc/82/99/18/1121829918.db2.gz BBWXKPLQBOIFML-UHFFFAOYSA-N -1 0 332.197 3.936 20 0 EHADRM CC(C)COc1ccc(C2(C(=O)N[C@@H](C)CCC(=O)[O-])CCC2)cc1 ZINC000347466437 1121883597 /nfs/dbraw/zinc/88/35/97/1121883597.db2.gz QEAZFONMPFVCHA-HNNXBMFYSA-N -1 0 347.455 3.513 20 0 EHADRM Oc1c(F)cc(Nc2c(F)cccc2OC2COC2)cc1Cl ZINC001214494520 1129024901 /nfs/dbraw/zinc/02/49/01/1129024901.db2.gz SBGFSZJVJZSSJF-UHFFFAOYSA-N -1 0 327.714 3.845 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCc1ccc(Cl)cc1)c1cccs1 ZINC000013390012 1129030924 /nfs/dbraw/zinc/03/09/24/1129030924.db2.gz BTFOGLPQVVQSCZ-CYBMUJFWSA-N -1 0 337.828 3.666 20 0 EHADRM COc1cc(CN(C)C(=O)c2ccc(F)cc2[O-])ccc1SC ZINC000123567213 1122257238 /nfs/dbraw/zinc/25/72/38/1122257238.db2.gz NTJFXNCHKYUUPH-UHFFFAOYSA-N -1 0 335.400 3.534 20 0 EHADRM Cc1ccc([C@@H]([N-]S(=O)(=O)CCCC(C)(F)F)C(F)(F)F)o1 ZINC000916829793 1122358198 /nfs/dbraw/zinc/35/81/98/1122358198.db2.gz SVCZYRVYSJFJKH-SNVBAGLBSA-N -1 0 349.321 3.546 20 0 EHADRM CCc1n[n-]c(=NC(=O)N2CCCC[C@@H]2CCc2ccccc2)s1 ZINC000497672047 1122628160 /nfs/dbraw/zinc/62/81/60/1122628160.db2.gz LWEDABXHXAWYGL-OAHLLOKOSA-N -1 0 344.484 3.542 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)C[C@@H](C(=O)[O-])c1ccccc1)CCC2 ZINC000672774446 1129067703 /nfs/dbraw/zinc/06/77/03/1129067703.db2.gz ZQGBKMMWQJNHIW-MOPGFXCFSA-N -1 0 337.419 3.747 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c(C)n1 ZINC000128676469 1122645808 /nfs/dbraw/zinc/64/58/08/1122645808.db2.gz QMBCLWHOGNKSDP-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2c[nH]nc2-c2ccccc2)c1 ZINC000497845724 1122681632 /nfs/dbraw/zinc/68/16/32/1122681632.db2.gz CFMCCIFOCVCZBY-UHFFFAOYSA-N -1 0 347.827 3.839 20 0 EHADRM O=C(Nc1cccc(OCc2ccccn2)c1)c1c([O-])cccc1F ZINC000128997132 1122712576 /nfs/dbraw/zinc/71/25/76/1122712576.db2.gz GDEGAVUIQJBXSS-UHFFFAOYSA-N -1 0 338.338 3.758 20 0 EHADRM O=C(Nc1cccc(OCC(F)(F)F)c1)c1c([O-])cccc1F ZINC000129120404 1122741263 /nfs/dbraw/zinc/74/12/63/1122741263.db2.gz AMNNMYGTRKSAMT-UHFFFAOYSA-N -1 0 329.249 3.725 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cn1)c1ccccc1-c1ccccc1 ZINC000069675285 1122810343 /nfs/dbraw/zinc/81/03/43/1122810343.db2.gz DSKGGQJNWWLOJS-UHFFFAOYSA-N -1 0 328.368 3.689 20 0 EHADRM Cc1nc(SC[C@H]2CC[C@@H](C(F)(F)F)O2)[nH]c(=O)c1C1CC1 ZINC000918464324 1122813860 /nfs/dbraw/zinc/81/38/60/1122813860.db2.gz ZHTHCGNVNSHPQJ-ZJUUUORDSA-N -1 0 334.363 3.570 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)NCC2(c3cccs3)CCCCC2)CC1 ZINC000262757145 1122842188 /nfs/dbraw/zinc/84/21/88/1122842188.db2.gz ZEKWKANHSSZKCN-SHTZXODSSA-N -1 0 349.496 3.957 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)CCCOc2cccc(F)c2)cc1 ZINC000918594163 1122860559 /nfs/dbraw/zinc/86/05/59/1122860559.db2.gz CAIBNFAHOXRKDE-FLIBITNWSA-N -1 0 343.354 3.721 20 0 EHADRM Cc1nc(NC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])sc1C ZINC000918759241 1122908195 /nfs/dbraw/zinc/90/81/95/1122908195.db2.gz OWZXSHCEMMVCTF-UHFFFAOYSA-N -1 0 348.815 3.557 20 0 EHADRM O=C([O-])c1cccc(NCc2ccc(OC[C@@H]3CCCO3)cc2)c1 ZINC000556323388 1122929242 /nfs/dbraw/zinc/92/92/42/1122929242.db2.gz IKHBYOBHJMXTJR-SFHVURJKSA-N -1 0 327.380 3.555 20 0 EHADRM C[C@H]1C[N@H+](Cc2ccc(Cl)cc2Br)CC[C@@H]1C(=O)[O-] ZINC000311381177 1129098676 /nfs/dbraw/zinc/09/86/76/1129098676.db2.gz NBCUUCRFDKTIBJ-CABZTGNLSA-N -1 0 346.652 3.645 20 0 EHADRM CCN(C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)c1cc(C)cc(C)c1 ZINC000072885516 1123172619 /nfs/dbraw/zinc/17/26/19/1123172619.db2.gz OSXFZJWEPVZLNM-UHFFFAOYSA-N -1 0 349.434 3.758 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)c1 ZINC000132805691 1123302217 /nfs/dbraw/zinc/30/22/17/1123302217.db2.gz RPNRZKYUAXFIBP-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM CC[C@@H](CC(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1ccccc1 ZINC000557084293 1123318989 /nfs/dbraw/zinc/31/89/89/1123318989.db2.gz AIJDKSGVTVZDJJ-ZDUSSCGKSA-N -1 0 336.395 3.700 20 0 EHADRM CCC(CC)(CC(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1)C(=O)[O-] ZINC000133175859 1123355555 /nfs/dbraw/zinc/35/55/55/1123355555.db2.gz ZDNOMBIGHBSQSD-DOTOQJQBSA-N -1 0 347.455 3.552 20 0 EHADRM CC(C)[C@@H](NC(=O)C[C@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1 ZINC000013468984 1129127404 /nfs/dbraw/zinc/12/74/04/1129127404.db2.gz BMQLZFVPFNTLDB-PKOBYXMFSA-N -1 0 343.398 3.898 20 0 EHADRM Cc1ccc2c(CC(=O)Nc3cc(C(=O)[O-])ccc3F)coc2c1 ZINC000237878034 1123545325 /nfs/dbraw/zinc/54/53/25/1123545325.db2.gz NPHLCARHSCUUGV-UHFFFAOYSA-N -1 0 327.311 3.760 20 0 EHADRM O=C([O-])c1cccc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2Cl)c1 ZINC000238225016 1123571465 /nfs/dbraw/zinc/57/14/65/1123571465.db2.gz HSEIESMBXKXZBK-NEPJUHHUSA-N -1 0 333.746 3.920 20 0 EHADRM O=C(CC/C=C/c1ccccc1)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000078103314 1123599583 /nfs/dbraw/zinc/59/95/83/1123599583.db2.gz LBZVXFHYUYNIKI-XBXARRHUSA-N -1 0 335.363 3.874 20 0 EHADRM CCC[C@H](NC(=O)CC1CCC(c2ccccc2)CC1)c1nnn[n-]1 ZINC000136672774 1123716873 /nfs/dbraw/zinc/71/68/73/1123716873.db2.gz YNCAVPARONKEJY-PREGVCBESA-N -1 0 341.459 3.521 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)C1(C)C ZINC000615280623 1123770934 /nfs/dbraw/zinc/77/09/34/1123770934.db2.gz GUUOTTDKXFGQFY-ZIAGYGMSSA-N -1 0 325.412 3.959 20 0 EHADRM C[C@H](CN(C)C(=O)c1ccc(-c2ccc(Cl)cc2)s1)C(=O)[O-] ZINC000237580137 1123780010 /nfs/dbraw/zinc/78/00/10/1123780010.db2.gz VDISWJOAADGEOU-SNVBAGLBSA-N -1 0 337.828 3.861 20 0 EHADRM Cc1cccc(CCC(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)c1 ZINC000237625869 1123794082 /nfs/dbraw/zinc/79/40/82/1123794082.db2.gz XSRSJKVXNDAPIJ-SFHVURJKSA-N -1 0 325.408 3.568 20 0 EHADRM CC(C)(C)c1ccccc1C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000263322217 1123799325 /nfs/dbraw/zinc/79/93/25/1123799325.db2.gz RRQBXCLLRMBRSM-NRFANRHFSA-N -1 0 339.435 3.756 20 0 EHADRM CCN(C[C@@H]1CCCO1)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000138239928 1123871720 /nfs/dbraw/zinc/87/17/20/1123871720.db2.gz WPCZPFFGZCFQIO-LBPRGKRZSA-N -1 0 333.815 3.840 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cccc(C(F)(F)F)c1 ZINC000237937399 1123916796 /nfs/dbraw/zinc/91/67/96/1123916796.db2.gz RBJSNNKTJHZJOC-ZDUSSCGKSA-N -1 0 329.318 3.565 20 0 EHADRM Cc1ccc(-c2[n-][nH]c(=NC(=O)[C@@H]3CCc4cc(F)ccc43)c2C)o1 ZINC000616251354 1123969428 /nfs/dbraw/zinc/96/94/28/1123969428.db2.gz RWTUUDHOGFIWAY-OAHLLOKOSA-N -1 0 339.370 3.516 20 0 EHADRM O=C([O-])CCCCCCNC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000238116197 1123982313 /nfs/dbraw/zinc/98/23/13/1123982313.db2.gz UXZYHIZNGVRVEY-UHFFFAOYSA-N -1 0 348.226 3.524 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1ccc(OC2CCCC2)cc1 ZINC000238131811 1123989467 /nfs/dbraw/zinc/98/94/67/1123989467.db2.gz ZMDLWZQANUOPTB-UHFFFAOYSA-N -1 0 333.428 3.773 20 0 EHADRM CN(CCC(C)(C)C)C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000616473318 1124001482 /nfs/dbraw/zinc/00/14/82/1124001482.db2.gz RCAXVEUQLRACFY-UHFFFAOYSA-N -1 0 335.835 3.740 20 0 EHADRM COc1ccc(-c2cc(C(=O)N[C@@H](C)CCC(=O)[O-])sc2C)cc1 ZINC000263533475 1124015855 /nfs/dbraw/zinc/01/58/55/1124015855.db2.gz NMAUHMITFSNCFY-NSHDSACASA-N -1 0 347.436 3.715 20 0 EHADRM CCCc1nc(=NC(=O)N(C)[C@@H](c2ccccc2)C(C)C)s[n-]1 ZINC000564388091 1124615942 /nfs/dbraw/zinc/61/59/42/1124615942.db2.gz TWWUESRSWZOILZ-OAHLLOKOSA-N -1 0 332.473 3.774 20 0 EHADRM CCC/C=C/C(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000735217336 1131322846 /nfs/dbraw/zinc/32/28/46/1131322846.db2.gz YNILNPCWQVOUIN-BJMVGYQFSA-N -1 0 329.421 3.515 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC000181882271 1125076594 /nfs/dbraw/zinc/07/65/94/1125076594.db2.gz FORYUAJNZSRDQF-KBXCAEBGSA-N -1 0 343.398 3.645 20 0 EHADRM CCCC[C@H](CC)CC(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000735395952 1131339433 /nfs/dbraw/zinc/33/94/33/1131339433.db2.gz JOACEFWCIJVGES-HNNXBMFYSA-N -1 0 325.474 3.715 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c1 ZINC000182496630 1125316696 /nfs/dbraw/zinc/31/66/96/1125316696.db2.gz MJZKULNMPWSOHR-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM COc1cc(C(=O)N[C@@H]2CC[C@@H]2c2ccccc2)cc(Cl)c1O ZINC000619218061 1125320042 /nfs/dbraw/zinc/32/00/42/1125320042.db2.gz KXTIWLLBBPHTQL-UKRRQHHQSA-N -1 0 331.799 3.730 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000261972466 1125393498 /nfs/dbraw/zinc/39/34/98/1125393498.db2.gz ZDXUXUCUCDLWQF-WCBMZHEXSA-N -1 0 333.281 3.831 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000261972461 1125393692 /nfs/dbraw/zinc/39/36/92/1125393692.db2.gz ZDXUXUCUCDLWQF-PSASIEDQSA-N -1 0 333.281 3.831 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N(C)Cc1ccc2cc(OC)ccc2c1 ZINC000619964790 1125439985 /nfs/dbraw/zinc/43/99/85/1125439985.db2.gz VLUJJUSPQRIFLA-UHFFFAOYSA-N -1 0 343.423 3.698 20 0 EHADRM O=S(=O)([N-]c1ccccc1SCC(F)(F)F)c1ccco1 ZINC000682151778 1129212031 /nfs/dbraw/zinc/21/20/31/1129212031.db2.gz VFNPKSYGUZYVEV-UHFFFAOYSA-N -1 0 337.344 3.735 20 0 EHADRM O=C(NC[C@H]1CCCC[C@H]1C(F)(F)F)c1c([O-])cc(F)cc1F ZINC000673364956 1129327354 /nfs/dbraw/zinc/32/73/54/1129327354.db2.gz BXKVWTBHOTVPNC-PSASIEDQSA-N -1 0 337.288 3.769 20 0 EHADRM CC(C)(NC(=O)c1n[n-]c2ccccc2c1=O)c1ccc(Cl)cc1 ZINC000735657007 1131369904 /nfs/dbraw/zinc/36/99/04/1131369904.db2.gz VUZAAIYFGJJUHE-UHFFFAOYSA-N -1 0 341.798 3.654 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000358613725 1129405798 /nfs/dbraw/zinc/40/57/98/1129405798.db2.gz XGSUNKOKFSZCHK-KRWDZBQOSA-N -1 0 327.355 3.810 20 0 EHADRM Cc1c(CNC(=O)CC2(CC(=O)[O-])CCCC2)oc2ccc(F)cc12 ZINC000735676459 1131372961 /nfs/dbraw/zinc/37/29/61/1131372961.db2.gz XXCZLDGWBRYOPM-UHFFFAOYSA-N -1 0 347.386 3.922 20 0 EHADRM COc1ccc2c(c1)[C@@H](N=c1nc(-c3ccccc3)[n-]s1)CCO2 ZINC000466492630 1129487689 /nfs/dbraw/zinc/48/76/89/1129487689.db2.gz HMNQPCLSMZIXKQ-HNNXBMFYSA-N -1 0 339.420 3.571 20 0 EHADRM O=C([O-])c1ccc(-c2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000379182346 1129519673 /nfs/dbraw/zinc/51/96/73/1129519673.db2.gz SHIJRWFDVZURPW-UHFFFAOYSA-N -1 0 327.214 3.859 20 0 EHADRM CCC(CC)c1n[n-]c(=NCc2ccc(-c3cnn(C)c3)s2)s1 ZINC000509043240 1129693359 /nfs/dbraw/zinc/69/33/59/1129693359.db2.gz GKJKJOBEJFBPGR-UHFFFAOYSA-N -1 0 347.513 3.938 20 0 EHADRM C[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccccc1Cl)CC(C)(C)C ZINC000751871473 1131392634 /nfs/dbraw/zinc/39/26/34/1131392634.db2.gz DMASQLKPIXGPGZ-LBPRGKRZSA-N -1 0 345.892 3.748 20 0 EHADRM CCOc1ccccc1[N-]S(=O)(=O)c1cc(C)cc(C)c1OC ZINC000509103777 1129751101 /nfs/dbraw/zinc/75/11/01/1129751101.db2.gz RQVXRXOSAAYPCN-UHFFFAOYSA-N -1 0 335.425 3.512 20 0 EHADRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000509104073 1129751113 /nfs/dbraw/zinc/75/11/13/1129751113.db2.gz TTWWWONLDADBPY-UHFFFAOYSA-N -1 0 349.452 3.900 20 0 EHADRM O=C([N-]c1nnc(CC2CCCCC2)s1)c1ocnc1C(F)F ZINC000625263283 1129793925 /nfs/dbraw/zinc/79/39/25/1129793925.db2.gz ZBEVNSTXCQOWCJ-UHFFFAOYSA-N -1 0 342.371 3.839 20 0 EHADRM Cc1noc(C(F)F)c1C(=O)[N-]c1nc(-c2ccccc2)ns1 ZINC000673698013 1129804054 /nfs/dbraw/zinc/80/40/54/1129804054.db2.gz LYDQVUYAXJHDRE-UHFFFAOYSA-N -1 0 336.323 3.691 20 0 EHADRM CC(C)c1nn(-c2ccccc2)cc1CN=c1[n-]nc(-c2ccco2)o1 ZINC000347811383 1129858474 /nfs/dbraw/zinc/85/84/74/1129858474.db2.gz IVICZGUCOMFMMQ-UHFFFAOYSA-N -1 0 349.394 3.673 20 0 EHADRM CCC(CC)c1n[n-]c(=NCc2cnc(-c3ccccn3)s2)s1 ZINC000347827793 1129891665 /nfs/dbraw/zinc/89/16/65/1129891665.db2.gz VHNXAAFZFDYBRR-UHFFFAOYSA-N -1 0 345.497 3.994 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(-c3cc(CO)on3)cc2)c(F)c1F ZINC001212515795 1129927847 /nfs/dbraw/zinc/92/78/47/1129927847.db2.gz OSVISRRXBGEHTL-UHFFFAOYSA-N -1 0 346.289 3.554 20 0 EHADRM COC(=O)[C@H](C)c1ccc(Nc2ccc(C(=O)[O-])c(F)c2F)cc1 ZINC001212515891 1129927960 /nfs/dbraw/zinc/92/79/60/1129927960.db2.gz UHFNDLUFWUHDDL-SECBINFHSA-N -1 0 335.306 3.683 20 0 EHADRM COc1ccc(Nc2ccc(C(=O)[O-])c(F)c2F)c2ncccc12 ZINC001212515391 1129929109 /nfs/dbraw/zinc/92/91/09/1129929109.db2.gz VKXCKNMJVLUYAQ-UHFFFAOYSA-N -1 0 330.290 3.963 20 0 EHADRM CC(C)Oc1cccc(CN=c2[n-]nc(Cc3ccsc3)o2)c1 ZINC000347865973 1129947706 /nfs/dbraw/zinc/94/77/06/1129947706.db2.gz BZLOJGYNXLTOMW-UHFFFAOYSA-N -1 0 329.425 3.543 20 0 EHADRM COc1c(Cl)cc(Cl)cc1CN=c1[n-]nc(CC(C)C)o1 ZINC000347879840 1129969720 /nfs/dbraw/zinc/96/97/20/1129969720.db2.gz LXBNEFAHWNLBEO-UHFFFAOYSA-N -1 0 330.215 3.618 20 0 EHADRM CC(C)Cc1ncc(CN=c2[n-]nc(CC3CCCCC3)o2)s1 ZINC000347890377 1129988340 /nfs/dbraw/zinc/98/83/40/1129988340.db2.gz XFAOWPVKNVLPRQ-UHFFFAOYSA-N -1 0 334.489 3.881 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccnn2[C@@H](C)C2CC2)cc1Cl ZINC000171342005 1130046951 /nfs/dbraw/zinc/04/69/51/1130046951.db2.gz UEGDADCLKFBECB-NSHDSACASA-N -1 0 339.848 3.617 20 0 EHADRM CC(C)c1nc(/C=C/C=C/c2ccccc2[N+](=O)[O-])ncc1C(=O)[O-] ZINC000172555104 1130143719 /nfs/dbraw/zinc/14/37/19/1130143719.db2.gz QHHBWDTUACTGOY-GZFKCFCKSA-N -1 0 339.351 3.933 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)nc1 ZINC000674845059 1130207265 /nfs/dbraw/zinc/20/72/65/1130207265.db2.gz DSVRSVPMMAWBGO-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1c(O)cccc1F ZINC000675439245 1130374204 /nfs/dbraw/zinc/37/42/04/1130374204.db2.gz UVZSTAYGGOOFJA-UHFFFAOYSA-N -1 0 339.319 3.526 20 0 EHADRM O=C(CCCc1cccc(Br)c1)Nc1ncccc1O ZINC000675510989 1130419718 /nfs/dbraw/zinc/41/97/18/1130419718.db2.gz NHPNKTVKBQRLOU-UHFFFAOYSA-N -1 0 335.201 3.511 20 0 EHADRM CCc1cccc([N-]S(=O)(=O)c2c(OC)cccc2OC)c1CC ZINC000486095768 1130440450 /nfs/dbraw/zinc/44/04/50/1130440450.db2.gz XKQNHVVZLBHPAV-UHFFFAOYSA-N -1 0 349.452 3.629 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC000675993302 1130513783 /nfs/dbraw/zinc/51/37/83/1130513783.db2.gz GVRJEXJWHRJQPX-UHFFFAOYSA-N -1 0 329.396 3.909 20 0 EHADRM Cc1cccc2sc(C(=O)N[C@H](C(=O)[O-])C(C)C)c(Cl)c21 ZINC000676208963 1130544765 /nfs/dbraw/zinc/54/47/65/1130544765.db2.gz MHTBZIGEOIBWJB-LBPRGKRZSA-N -1 0 325.817 3.702 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2cccc(Oc3ccccc3)c2)C1 ZINC000676215790 1130549250 /nfs/dbraw/zinc/54/92/50/1130549250.db2.gz CLMUWXIKZFQYLJ-HNNXBMFYSA-N -1 0 339.391 3.806 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)C[C@H](C)CC(C)C)cc1 ZINC000727951929 1130613250 /nfs/dbraw/zinc/61/32/50/1130613250.db2.gz PVCVCVXIWXXNAG-CQSZACIVSA-N -1 0 325.474 3.516 20 0 EHADRM CO[N-]C(=O)[C@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000730522260 1130716999 /nfs/dbraw/zinc/71/69/99/1130716999.db2.gz HPZZGYREAWQPAL-CQSZACIVSA-N -1 0 326.179 3.791 20 0 EHADRM C[C@H](Oc1nc[n-]c(=O)c1Cl)c1ccc(F)c(Br)c1 ZINC001230015784 1130740363 /nfs/dbraw/zinc/74/03/63/1130740363.db2.gz BXYHENVKULRUSJ-LURJTMIESA-N -1 0 347.571 3.877 20 0 EHADRM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)/C=C\c1ccccc1Cl ZINC000737355497 1131447537 /nfs/dbraw/zinc/44/75/37/1131447537.db2.gz SIUODIICEXIIOK-YLGBQOPLSA-N -1 0 349.839 3.560 20 0 EHADRM CCCCc1oc2ccccc2c1/C=C/C(=O)[N-]S(=O)(=O)C(C)C ZINC000743495893 1131933243 /nfs/dbraw/zinc/93/32/43/1131933243.db2.gz MXUVOFREKYTUBC-VAWYXSNFSA-N -1 0 349.452 3.643 20 0 EHADRM CCCCc1oc2ccccc2c1/C=C\C(=O)[N-]S(=O)(=O)C(C)C ZINC000743495892 1131933343 /nfs/dbraw/zinc/93/33/43/1131933343.db2.gz MXUVOFREKYTUBC-QXMHVHEDSA-N -1 0 349.452 3.643 20 0 EHADRM CCCCCC[C@@](C)(CC)C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000744001803 1132001613 /nfs/dbraw/zinc/00/16/13/1132001613.db2.gz LTUXQDADWDFYBJ-OAHLLOKOSA-N -1 0 331.503 3.940 20 0 EHADRM Cc1n[nH]c(C)c1-c1nc(-c2ccc3[n-]c(=S)sc3c2)no1 ZINC001212716694 1132020137 /nfs/dbraw/zinc/02/01/37/1132020137.db2.gz NQXYTUXOXXKQRT-UHFFFAOYSA-N -1 0 329.410 3.642 20 0 EHADRM O=C(Nc1nnc(C2CCCCC2)s1)c1c([O-])cc(F)cc1F ZINC000744320340 1132066251 /nfs/dbraw/zinc/06/62/51/1132066251.db2.gz OJTTXFPEZQTQFP-UHFFFAOYSA-N -1 0 339.367 3.822 20 0 EHADRM CCOc1ccccc1Nc1ccc(Cl)cc1S(=O)(=O)[O-] ZINC001173851094 1132155001 /nfs/dbraw/zinc/15/50/01/1132155001.db2.gz ZQHFZHQXARNVMK-UHFFFAOYSA-N -1 0 327.789 3.729 20 0 EHADRM CC(C)(C)NC(=O)c1ccc([N-]c2nnc(-c3ccco3)o2)cc1 ZINC001174124343 1132244301 /nfs/dbraw/zinc/24/43/01/1132244301.db2.gz NFOLSPWMMGSQTK-UHFFFAOYSA-N -1 0 326.356 3.602 20 0 EHADRM COc1cc(Nc2cc(C(F)(F)F)ccc2[S-])c(OC)nn1 ZINC001174352606 1132311606 /nfs/dbraw/zinc/31/16/06/1132311606.db2.gz LDUJSXYEIVSGHI-UHFFFAOYSA-N -1 0 331.319 3.545 20 0 EHADRM O=C(NCCc1ccc(Cl)cc1)c1ccc2[n-]c(=S)oc2c1 ZINC000746092052 1132369774 /nfs/dbraw/zinc/36/97/74/1132369774.db2.gz ANTQJIYELNBWOM-UHFFFAOYSA-N -1 0 332.812 3.742 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2ncc(Br)cc2F)c1 ZINC001174495234 1132371047 /nfs/dbraw/zinc/37/10/47/1132371047.db2.gz OXLMXDCQHJNOCV-SNAWJCMRSA-N -1 0 337.148 3.825 20 0 EHADRM Nc1c(-c2cccc(Cl)c2)cnn1-c1cccc(/C=C/C(=O)[O-])c1 ZINC001174494316 1132371214 /nfs/dbraw/zinc/37/12/14/1132371214.db2.gz CHAUFLLHZLMIKZ-BQYQJAHWSA-N -1 0 339.782 3.873 20 0 EHADRM CCOC(=O)c1ncc(Cl)cc1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174495060 1132371423 /nfs/dbraw/zinc/37/14/23/1132371423.db2.gz IZFNKLJXQRYYRE-VOTSOKGWSA-N -1 0 346.770 3.753 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2ccc(Br)cc2O)c1 ZINC001174496681 1132371650 /nfs/dbraw/zinc/37/16/50/1132371650.db2.gz PTFUFYWBFUCBOM-QPJJXVBHSA-N -1 0 334.169 3.996 20 0 EHADRM COc1nccc(Nc2cccc(/C=C/C(=O)[O-])c2)c1Br ZINC001174495700 1132372014 /nfs/dbraw/zinc/37/20/14/1132372014.db2.gz VBHLVVJZQSDHAR-AATRIKPKSA-N -1 0 349.184 3.694 20 0 EHADRM COC(=O)c1cc(Nc2cccc(/C=C/C(=O)[O-])c2)c(F)cc1F ZINC001174496678 1132372277 /nfs/dbraw/zinc/37/22/77/1132372277.db2.gz RWNHMXBJSAMZEJ-AATRIKPKSA-N -1 0 333.290 3.593 20 0 EHADRM CC1(C)CNC(=O)c2ccc(Nc3cccc(/C=C/C(=O)[O-])c3)cc21 ZINC001174497087 1132373353 /nfs/dbraw/zinc/37/33/53/1132373353.db2.gz DPMVZSYGLOHLSM-RMKNXTFCSA-N -1 0 336.391 3.549 20 0 EHADRM O=C(Nc1ccc(N2CCCC2)cc1)c1ccc2[n-]c(=S)oc2c1 ZINC000746109318 1132375968 /nfs/dbraw/zinc/37/59/68/1132375968.db2.gz MZZBWDICEPCUIK-UHFFFAOYSA-N -1 0 339.420 3.969 20 0 EHADRM CCOC(=O)c1ccc(Nc2cccc(/C=C/C(=O)[O-])c2)c(OC)c1 ZINC001174499923 1132379863 /nfs/dbraw/zinc/37/98/63/1132379863.db2.gz LHIRHUHKVZAQFQ-JXMROGBWSA-N -1 0 341.363 3.713 20 0 EHADRM CSc1ccc(CNC(=O)c2ccc3[n-]c(=S)oc3c2)cc1 ZINC000746159892 1132386985 /nfs/dbraw/zinc/38/69/85/1132386985.db2.gz POWGILVGYXCMEP-UHFFFAOYSA-N -1 0 330.434 3.768 20 0 EHADRM CCN(C(=O)c1ccc2[n-]c(=S)oc2c1)c1ccccc1OC ZINC000746177504 1132387331 /nfs/dbraw/zinc/38/73/31/1132387331.db2.gz FQPNOHCKAURXLN-UHFFFAOYSA-N -1 0 328.393 3.792 20 0 EHADRM COc1cc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)cc(F)c1F ZINC001174585849 1132408449 /nfs/dbraw/zinc/40/84/49/1132408449.db2.gz HFTDYZKMPWQCCU-UHFFFAOYSA-N -1 0 349.742 3.617 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1nc(C)ccc1Br ZINC001174671061 1132432324 /nfs/dbraw/zinc/43/23/24/1132432324.db2.gz QNOFVTQNNYHATL-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1c(O)cccc1Br ZINC001174677700 1132434301 /nfs/dbraw/zinc/43/43/01/1132434301.db2.gz PKUGJEBOXAPKQO-UHFFFAOYSA-N -1 0 338.157 3.605 20 0 EHADRM CCc1cc(C(=O)OC)c(Nc2ccc(C(=O)[O-])c(OC)c2)s1 ZINC001174680863 1132434875 /nfs/dbraw/zinc/43/48/75/1132434875.db2.gz FKOXHBIEYJDLQL-UHFFFAOYSA-N -1 0 335.381 3.548 20 0 EHADRM COc1cc(Nc2ccnn2-c2ccccc2Cl)ccc1C(=O)[O-] ZINC001174684737 1132435851 /nfs/dbraw/zinc/43/58/51/1132435851.db2.gz XJTXDIKTSXAFSO-UHFFFAOYSA-N -1 0 343.770 3.976 20 0 EHADRM COc1cc(Nc2nc(Br)ccc2C)ccc1C(=O)[O-] ZINC001174683571 1132436036 /nfs/dbraw/zinc/43/60/36/1132436036.db2.gz QMLDGAYOHJBJON-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM COc1cccc(-n2nc(C)cc2Nc2ccc(C(=O)[O-])s2)c1 ZINC001174807072 1132478073 /nfs/dbraw/zinc/47/80/73/1132478073.db2.gz HHYSRHLCNNTHNK-UHFFFAOYSA-N -1 0 329.381 3.693 20 0 EHADRM CCOc1cnc(Br)c(Nc2ccc(C(=O)[O-])s2)c1 ZINC001174804923 1132478248 /nfs/dbraw/zinc/47/82/48/1132478248.db2.gz FZHGCCQVBGMBDU-UHFFFAOYSA-N -1 0 343.202 3.746 20 0 EHADRM COC(=O)c1sc2ccncc2c1Nc1ccc(C(=O)[O-])s1 ZINC001174807797 1132479506 /nfs/dbraw/zinc/47/95/06/1132479506.db2.gz NDLDYHPSUHNCKP-UHFFFAOYSA-N -1 0 334.378 3.586 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(Cl)ccc2N2CCOCC2)s1 ZINC001174810470 1132480502 /nfs/dbraw/zinc/48/05/02/1132480502.db2.gz OTEWJSHQVPIMFB-UHFFFAOYSA-N -1 0 338.816 3.680 20 0 EHADRM O=C(c1nn(-c2ccc(Cl)cc2)cc1[O-])N1CCC[C@@H]1C1CCC1 ZINC000194023123 1132484221 /nfs/dbraw/zinc/48/42/21/1132484221.db2.gz LAPOFOUAEJYCIE-OAHLLOKOSA-N -1 0 345.830 3.636 20 0 EHADRM COc1ccc(-c2ccccn2)nc1Nc1ccc(CC(=O)[O-])cc1 ZINC001174949195 1132515832 /nfs/dbraw/zinc/51/58/32/1132515832.db2.gz FSLHUIHBVUIFIZ-UHFFFAOYSA-N -1 0 335.363 3.523 20 0 EHADRM Nc1ccc(F)c(Br)c1Nc1ccc(CC(=O)[O-])cc1 ZINC001174954477 1132517891 /nfs/dbraw/zinc/51/78/91/1132517891.db2.gz GTOGCFOMIYQDPP-UHFFFAOYSA-N -1 0 339.164 3.541 20 0 EHADRM CC1(C)Cc2cccc(C[NH2+][C@H](CC(=O)[O-])c3cccs3)c2O1 ZINC000391327487 1132518393 /nfs/dbraw/zinc/51/83/93/1132518393.db2.gz UWYQXSXISRNOGR-CQSZACIVSA-N -1 0 331.437 3.767 20 0 EHADRM C[C@@H]1CCCC[C@H]1CC(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000746423923 1132520301 /nfs/dbraw/zinc/52/03/01/1132520301.db2.gz SYXBCAHHGGMFHN-ZBFHGGJFSA-N -1 0 347.480 3.636 20 0 EHADRM COc1cccc(F)c1Nc1cccc2cc(S(=O)(=O)[O-])ccc21 ZINC001174993618 1132524939 /nfs/dbraw/zinc/52/49/39/1132524939.db2.gz DGOYTGDYRRVNPX-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1cc(Br)cnc1F ZINC001174981215 1132534161 /nfs/dbraw/zinc/53/41/61/1132534161.db2.gz GBQCCDMBNWKYMH-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM COCCCOc1ccc(F)cc1Nc1cc(C(=O)[O-])ccc1C ZINC001174981532 1132534342 /nfs/dbraw/zinc/53/43/42/1132534342.db2.gz FODZLLWJIMGROC-UHFFFAOYSA-N -1 0 333.359 3.991 20 0 EHADRM O=C([N-]S(=O)(=O)CC1CCCCC1)c1csc2ccccc12 ZINC000746445038 1132534691 /nfs/dbraw/zinc/53/46/91/1132534691.db2.gz QNJICSDWTNHRMD-UHFFFAOYSA-N -1 0 337.466 3.541 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1ccccc1C(=O)NC(C)(C)C ZINC001174982755 1132535294 /nfs/dbraw/zinc/53/52/94/1132535294.db2.gz XLUDCWVHNIMZRF-UHFFFAOYSA-N -1 0 326.396 3.965 20 0 EHADRM CON(C)C(=O)c1c(Cl)cccc1Nc1cc(C(=O)[O-])ccc1C ZINC001174984971 1132536163 /nfs/dbraw/zinc/53/61/63/1132536163.db2.gz XSSLXSLHJVLUOW-UHFFFAOYSA-N -1 0 348.786 3.724 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1-n1cc(Br)c2cccc(N)c21 ZINC001174985987 1132536535 /nfs/dbraw/zinc/53/65/35/1132536535.db2.gz JCJWARIMLWQKOC-UHFFFAOYSA-N -1 0 345.196 3.982 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1ccccc1OC1CCOCC1 ZINC001174985009 1132536621 /nfs/dbraw/zinc/53/66/21/1132536621.db2.gz YUOVKGCLLMQRHD-UHFFFAOYSA-N -1 0 327.380 3.995 20 0 EHADRM CCOc1ccc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)cc1F ZINC001175070101 1132559037 /nfs/dbraw/zinc/55/90/37/1132559037.db2.gz XTOGMGPXFYNIHV-UHFFFAOYSA-N -1 0 345.779 3.868 20 0 EHADRM COc1ccc(-c2cc(Nc3ccc(C(=O)[O-])c(F)c3)n(C)n2)cc1 ZINC001175154391 1132568921 /nfs/dbraw/zinc/56/89/21/1132568921.db2.gz LNJPSMPRTFINHO-UHFFFAOYSA-N -1 0 341.342 3.677 20 0 EHADRM CC(C)(C(=O)[N-]Oc1ccccc1)c1ccc(Br)cc1 ZINC000773464536 1132576121 /nfs/dbraw/zinc/57/61/21/1132576121.db2.gz ICNWAZGYONMXJD-UHFFFAOYSA-N -1 0 334.213 3.837 20 0 EHADRM O=C([O-])c1cc(Nc2cn3cc(C(F)(F)F)ccc3n2)ccc1F ZINC001175219778 1132598894 /nfs/dbraw/zinc/59/88/94/1132598894.db2.gz GGINLYZJBZDOAU-UHFFFAOYSA-N -1 0 339.248 3.934 20 0 EHADRM Nc1ccc(OC(F)(F)F)c(Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC001175221137 1132599062 /nfs/dbraw/zinc/59/90/62/1132599062.db2.gz ISMDAAKPLLXNSU-UHFFFAOYSA-N -1 0 330.237 3.748 20 0 EHADRM CC(=O)N1CC(C)(C)c2ccc(Nc3ccc(F)c(C(=O)[O-])c3)cc21 ZINC001175219832 1132599170 /nfs/dbraw/zinc/59/91/70/1132599170.db2.gz FQAXWIWWGDGXJQ-UHFFFAOYSA-N -1 0 342.370 3.912 20 0 EHADRM COC(=O)Cc1ccc(Cl)c(Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC001175223100 1132599832 /nfs/dbraw/zinc/59/98/32/1132599832.db2.gz BDMLGSRXUCDWHX-UHFFFAOYSA-N -1 0 337.734 3.636 20 0 EHADRM CCOC(=O)c1nc(Nc2ccc(C(=O)[O-])c(Cl)c2)sc1C ZINC001175314223 1132634643 /nfs/dbraw/zinc/63/46/43/1132634643.db2.gz QXICYKOWTJOJTL-UHFFFAOYSA-N -1 0 340.788 3.723 20 0 EHADRM COC(=O)c1ccnc(Cl)c1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175315888 1132636187 /nfs/dbraw/zinc/63/61/87/1132636187.db2.gz HFYQZGBYWGRWRY-UHFFFAOYSA-N -1 0 341.150 3.617 20 0 EHADRM O=C([O-])c1ccc(Nc2cccc(CN3CCOCC3)c2)cc1Cl ZINC001175319470 1132636855 /nfs/dbraw/zinc/63/68/55/1132636855.db2.gz ZYIJBKGQAWXERN-UHFFFAOYSA-N -1 0 346.814 3.614 20 0 EHADRM COC(=O)/C=C/c1cccc(Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001175320644 1132637704 /nfs/dbraw/zinc/63/77/04/1132637704.db2.gz IAXLYLIOQUKTCK-VMPITWQZSA-N -1 0 331.755 3.968 20 0 EHADRM COC(=O)c1c(Nc2ccc(C(=O)[O-])c(Cl)c2)cccc1OC ZINC001175321270 1132637966 /nfs/dbraw/zinc/63/79/66/1132637966.db2.gz JIOSHGYJAVZBSN-UHFFFAOYSA-N -1 0 335.743 3.577 20 0 EHADRM COC(=O)c1cccc(Nc2ccc(C(=O)[O-])c(Cl)c2)c1OC ZINC001175321483 1132638259 /nfs/dbraw/zinc/63/82/59/1132638259.db2.gz SEGAEQKHZZQCCF-UHFFFAOYSA-N -1 0 335.743 3.577 20 0 EHADRM O=C([O-])c1cccc(Nc2cc(Cl)ccc2N2CCOCC2)c1 ZINC001175329615 1132640174 /nfs/dbraw/zinc/64/01/74/1132640174.db2.gz QGRGFJBLOOLJMG-UHFFFAOYSA-N -1 0 332.787 3.618 20 0 EHADRM COc1ccc(CNC(=O)c2ccc3[n-]c(=S)oc3c2)cc1Cl ZINC000766608782 1132672868 /nfs/dbraw/zinc/67/28/68/1132672868.db2.gz RAIGDQLESVLCFS-UHFFFAOYSA-N -1 0 348.811 3.709 20 0 EHADRM O=S(=O)([O-])c1cccc2cc(Nc3cccc4c[nH]nc43)ccc21 ZINC001175639673 1132720587 /nfs/dbraw/zinc/72/05/87/1132720587.db2.gz VBMYSGVMPIUKIX-UHFFFAOYSA-N -1 0 339.376 3.706 20 0 EHADRM CCCOc1c(Br)cc(F)cc1NCc1cc(=O)[n-]o1 ZINC001169493618 1132770086 /nfs/dbraw/zinc/77/00/86/1132770086.db2.gz ZDDMTAATCVZFSF-UHFFFAOYSA-N -1 0 345.168 3.683 20 0 EHADRM O=C([O-])c1cncc(Nc2ccc(Br)cc2Cl)c1 ZINC001175842087 1132773799 /nfs/dbraw/zinc/77/37/99/1132773799.db2.gz NPPXKIHTWQKUCJ-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM COc1cccc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)c1Cl ZINC001175900500 1132793578 /nfs/dbraw/zinc/79/35/78/1132793578.db2.gz VCGDVLZITMZTBG-UHFFFAOYSA-N -1 0 348.207 3.992 20 0 EHADRM CCN(CC)C(=O)c1ccc(F)c([N-]c2noc(C(C)(C)C)n2)c1 ZINC001176069463 1132842418 /nfs/dbraw/zinc/84/24/18/1132842418.db2.gz AMBUYFOXKYDWDV-UHFFFAOYSA-N -1 0 334.395 3.732 20 0 EHADRM Cn1c(C(=O)Nc2ccc(C(=O)[O-])cc2)ccc1-c1ccc(F)cc1 ZINC000766858933 1132874293 /nfs/dbraw/zinc/87/42/93/1132874293.db2.gz PHHVMQCSCXFPPL-UHFFFAOYSA-N -1 0 338.338 3.782 20 0 EHADRM CCN(CC)C(=O)c1cc(F)cc([N-]c2nnc(-c3ccco3)o2)c1 ZINC001176294983 1132893265 /nfs/dbraw/zinc/89/32/65/1132893265.db2.gz FCNZALCLCGTMLL-UHFFFAOYSA-N -1 0 344.346 3.694 20 0 EHADRM O=C([O-])CCN(CC1CC1)C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000766914500 1132913681 /nfs/dbraw/zinc/91/36/81/1132913681.db2.gz SKYYYOGQOFUZNZ-UHFFFAOYSA-N -1 0 347.358 3.625 20 0 EHADRM O=C([O-])c1cc(Nc2cc(Br)cn3ccnc23)cs1 ZINC001176436089 1132929031 /nfs/dbraw/zinc/92/90/31/1132929031.db2.gz ITJJVJKWLZSTNB-UHFFFAOYSA-N -1 0 338.186 3.600 20 0 EHADRM O=C([O-])c1cc(Nc2ccc(C(=O)N3CCCCC3)cc2)cs1 ZINC001176438891 1132929114 /nfs/dbraw/zinc/92/91/14/1132929114.db2.gz FNBJZJWQNCQOGB-UHFFFAOYSA-N -1 0 330.409 3.816 20 0 EHADRM CCOC(=O)c1sc(SC)nc1Nc1csc(C(=O)[O-])c1 ZINC001176436591 1132929255 /nfs/dbraw/zinc/92/92/55/1132929255.db2.gz WWWCFYPZQZGRKX-UHFFFAOYSA-N -1 0 344.439 3.545 20 0 EHADRM COc1cccc(-n2nc(C)cc2Nc2csc(C(=O)[O-])c2)c1 ZINC001176435499 1132929263 /nfs/dbraw/zinc/92/92/63/1132929263.db2.gz DEOCZEPOHMUJMS-UHFFFAOYSA-N -1 0 329.381 3.693 20 0 EHADRM O=C([O-])c1cc(Nc2ccc(F)c(Br)c2O)cs1 ZINC001176441921 1132930875 /nfs/dbraw/zinc/93/08/75/1132930875.db2.gz YDHVGBMIYUNMOX-UHFFFAOYSA-N -1 0 332.150 3.797 20 0 EHADRM CC(C)(C)c1ccc(CCCC(=O)N[C@@H](CC(=O)[O-])C2CC2)cc1 ZINC000767069315 1132941544 /nfs/dbraw/zinc/94/15/44/1132941544.db2.gz LCSPNFKJKHYNSV-KRWDZBQOSA-N -1 0 331.456 3.676 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 ZINC000767053569 1132942996 /nfs/dbraw/zinc/94/29/96/1132942996.db2.gz DNVSDDKICAYMTP-IBGZPJMESA-N -1 0 330.428 3.839 20 0 EHADRM C/C(=C/C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000767091397 1132947718 /nfs/dbraw/zinc/94/77/18/1132947718.db2.gz IYEBBEXKFVBJRR-UXEWOMCISA-N -1 0 325.339 3.966 20 0 EHADRM CCc1c(C)sc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1C(N)=O ZINC001176582378 1132959712 /nfs/dbraw/zinc/95/97/12/1132959712.db2.gz XHQMRUAIPVOHLR-UHFFFAOYSA-N -1 0 344.436 3.578 20 0 EHADRM COC(=O)c1ccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cc1Cl ZINC001176587019 1132961026 /nfs/dbraw/zinc/96/10/26/1132961026.db2.gz POJJYKARXNVJOO-UHFFFAOYSA-N -1 0 345.782 3.986 20 0 EHADRM Cc1cnc(Nc2ccc(/C=C/C(=O)[O-])cc2)c(Br)c1 ZINC001176587710 1132961444 /nfs/dbraw/zinc/96/14/44/1132961444.db2.gz AUEUERFGQAXZJJ-QPJJXVBHSA-N -1 0 333.185 3.994 20 0 EHADRM Cc1cnn(CC2CCC2)c1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176587473 1132961514 /nfs/dbraw/zinc/96/15/14/1132961514.db2.gz ZWFKFMFBTRJTPX-UHFFFAOYSA-N -1 0 325.412 3.851 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3ccc4c(c3)CCCC(=O)N4)cc2)CC1 ZINC001176588713 1132961614 /nfs/dbraw/zinc/96/16/14/1132961614.db2.gz BZGZFQHBTWZHRD-UHFFFAOYSA-N -1 0 336.391 3.821 20 0 EHADRM COC(=O)c1cc(F)c(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cc1F ZINC001176587809 1132962001 /nfs/dbraw/zinc/96/20/01/1132962001.db2.gz CJGWKHRUGUBDCZ-UHFFFAOYSA-N -1 0 347.317 3.611 20 0 EHADRM COC(=O)c1ccc(Cl)c(Nc2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC001176593261 1132963783 /nfs/dbraw/zinc/96/37/83/1132963783.db2.gz XMXUULBBOYICOX-RUDMXATFSA-N -1 0 331.755 3.968 20 0 EHADRM CCOC(=O)c1sc(Nc2ccc(C(=O)[O-])cc2)nc1C1CC1 ZINC001176710009 1132995183 /nfs/dbraw/zinc/99/51/83/1132995183.db2.gz BTWGQIWHWUQFLQ-UHFFFAOYSA-N -1 0 332.381 3.639 20 0 EHADRM CC[C@H](C)[C@@H]([N-]S(=O)(=O)/C=C/c1ccc(F)cc1)C(F)(F)F ZINC000767604044 1133024507 /nfs/dbraw/zinc/02/45/07/1133024507.db2.gz IWZYANALMCTAMJ-NBICGZMJSA-N -1 0 339.354 3.693 20 0 EHADRM CSC1(CNC(=O)c2cc(F)c([O-])c(Cl)c2)CCCCC1 ZINC001178012818 1133123700 /nfs/dbraw/zinc/12/37/00/1133123700.db2.gz ANXGPNIZWCSSPH-UHFFFAOYSA-N -1 0 331.840 3.980 20 0 EHADRM COc1ccc(C)cc1CC(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000769248321 1133251106 /nfs/dbraw/zinc/25/11/06/1133251106.db2.gz WSYSNBDKLVJKBE-UHFFFAOYSA-N -1 0 328.393 3.615 20 0 EHADRM CCC[C@H](C(=O)N[C@@H](C)c1nn(C)cc1[O-])c1ccc(Cl)cc1 ZINC001179926454 1133300497 /nfs/dbraw/zinc/30/04/97/1133300497.db2.gz FRUDGWQKBRCNOF-FZMZJTMJSA-N -1 0 335.835 3.540 20 0 EHADRM O=C(CCc1ccccc1)C(=O)Nc1c(Cl)ccc([O-])c1Cl ZINC001180966097 1133436975 /nfs/dbraw/zinc/43/69/75/1133436975.db2.gz WDYSAOQMKJKOBS-UHFFFAOYSA-N -1 0 338.190 3.839 20 0 EHADRM O=C(Nc1c(Cl)ccc([O-])c1Cl)C1(c2ccccc2)COC1 ZINC001181560159 1133500840 /nfs/dbraw/zinc/50/08/40/1133500840.db2.gz WTCGYNCUQLUPAO-UHFFFAOYSA-N -1 0 338.190 3.606 20 0 EHADRM O=C(N[C@H]1CSc2ccccc21)c1ccc2[n-]c(=S)oc2c1 ZINC000746283022 1133504754 /nfs/dbraw/zinc/50/47/54/1133504754.db2.gz ZHUDAZPXDCOEDZ-LBPRGKRZSA-N -1 0 328.418 3.693 20 0 EHADRM Cc1ccc2nc(-c3ccccc3)cc(C(=O)N(C)CCC(=O)[O-])c2c1 ZINC000746374542 1133513848 /nfs/dbraw/zinc/51/38/48/1133513848.db2.gz FSHMVQMHTMCCQF-UHFFFAOYSA-N -1 0 348.402 3.757 20 0 EHADRM Cn1c2ccccc2nc1C(C)(C)NC(=O)c1cccc(Cl)c1[O-] ZINC000771506242 1133567304 /nfs/dbraw/zinc/56/73/04/1133567304.db2.gz XXQPCRMROREFOL-UHFFFAOYSA-N -1 0 343.814 3.597 20 0 EHADRM COC(=Cc1ccccc1)C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000774067679 1133601274 /nfs/dbraw/zinc/60/12/74/1133601274.db2.gz OFLJUIHGYHOZIZ-OQLLNIDSSA-N -1 0 326.377 3.743 20 0 EHADRM O=C(Cc1ccc([S-])cc1)NCc1cc(Cl)nc(Cl)c1 ZINC001183187959 1133776935 /nfs/dbraw/zinc/77/69/35/1133776935.db2.gz RCDVNZLGJAHUTP-UHFFFAOYSA-N -1 0 327.236 3.536 20 0 EHADRM CN(C(=O)c1nn(-c2cccc(F)c2)cc1[O-])C1CCCCCCC1 ZINC000786033162 1133793967 /nfs/dbraw/zinc/79/39/67/1133793967.db2.gz JXDKQLZMTHKSMB-UHFFFAOYSA-N -1 0 345.418 3.902 20 0 EHADRM CCCC(C)(C)CC(=O)[N-]S(=O)(=O)c1cccc2cc(C)cnc21 ZINC000786272561 1133825452 /nfs/dbraw/zinc/82/54/52/1133825452.db2.gz JUBQFBRSLHJQAV-UHFFFAOYSA-N -1 0 348.468 3.565 20 0 EHADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)C[C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000786488727 1133854596 /nfs/dbraw/zinc/85/45/96/1133854596.db2.gz NTFLISKCIHADNR-ZQIUZPCESA-N -1 0 337.485 3.548 20 0 EHADRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)C[C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000786488723 1133854771 /nfs/dbraw/zinc/85/47/71/1133854771.db2.gz NTFLISKCIHADNR-KEYYUXOJSA-N -1 0 337.485 3.548 20 0 EHADRM COc1cccc(/C(C)=C/C(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC000786615986 1133878719 /nfs/dbraw/zinc/87/87/19/1133878719.db2.gz YUQIPBHCYOQMBE-SDNWHVSQSA-N -1 0 339.391 3.754 20 0 EHADRM CC(=O)c1ccnc(C(=O)Nc2cc(Cl)c(C)c(Cl)c2[O-])c1 ZINC001184854067 1133993773 /nfs/dbraw/zinc/99/37/73/1133993773.db2.gz RMEXOVUJCPBWES-UHFFFAOYSA-N -1 0 339.178 3.857 20 0 EHADRM Cc1ccc(O[C@@H](C)C(=O)[N-]OC2CCCC2)c(Br)c1 ZINC000774866309 1134077224 /nfs/dbraw/zinc/07/72/24/1134077224.db2.gz AZPMKDUWTMFNLG-NSHDSACASA-N -1 0 342.233 3.515 20 0 EHADRM O=S(=O)([N-]c1ccc(C2CC2)nc1)c1cc2ccccc2s1 ZINC001185428615 1134084355 /nfs/dbraw/zinc/08/43/55/1134084355.db2.gz AFBJAQWQMIHZMW-UHFFFAOYSA-N -1 0 330.434 3.975 20 0 EHADRM Cn1nc(C2CCC2)cc1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185429107 1134084921 /nfs/dbraw/zinc/08/49/21/1134084921.db2.gz KNNDQQOGYXINTL-UHFFFAOYSA-N -1 0 347.465 3.703 20 0 EHADRM O=C(C=C([O-])c1ccccc1Cl)NCc1cccc2ncccc12 ZINC001185436965 1134085812 /nfs/dbraw/zinc/08/58/12/1134085812.db2.gz VGPWMTGFUJZWBI-UHFFFAOYSA-N -1 0 338.794 3.777 20 0 EHADRM O=C(C=C([O-])c1ccccc1Cl)N[C@H](c1ccnc(F)c1)C1CC1 ZINC001185443903 1134087251 /nfs/dbraw/zinc/08/72/51/1134087251.db2.gz GKPIKODTLPFVOY-SFHVURJKSA-N -1 0 346.789 3.714 20 0 EHADRM CC(C)C[C@H](C(=O)[O-])N(C)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000788320110 1134113117 /nfs/dbraw/zinc/11/31/17/1134113117.db2.gz DBDYRZWKRRAREA-GFCCVEGCSA-N -1 0 333.215 3.956 20 0 EHADRM CCCCC[C@@H](NC(=O)Nc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000788320775 1134113488 /nfs/dbraw/zinc/11/34/88/1134113488.db2.gz FUVYQGDUARGDKB-GFCCVEGCSA-N -1 0 332.322 3.860 20 0 EHADRM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2ccc(Cl)nc2C)c1 ZINC000788495469 1134131887 /nfs/dbraw/zinc/13/18/87/1134131887.db2.gz LUHNGTPKTXVMFC-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(F)cc2cccnc21 ZINC001185836000 1134139007 /nfs/dbraw/zinc/13/90/07/1134139007.db2.gz BMGUPBIWWIIKPW-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(F)cc1OC(C)C ZINC001185837026 1134139291 /nfs/dbraw/zinc/13/92/91/1134139291.db2.gz QJQOTHMAGFTJET-UHFFFAOYSA-N -1 0 341.379 3.861 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(Cl)n2)cc1Cl ZINC000788553202 1134142314 /nfs/dbraw/zinc/14/23/14/1134142314.db2.gz XZBBDJUBULFAOG-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM O=S(=O)([N-]c1ccccc1-c1ccco1)c1ccc2n[nH]cc2c1 ZINC001185998660 1134164043 /nfs/dbraw/zinc/16/40/43/1134164043.db2.gz BGLBLRDLGJZSQT-UHFFFAOYSA-N -1 0 339.376 3.624 20 0 EHADRM Cc1ccc(C)c(N2CCN(C(=O)c3cccc([S-])c3)CC2)c1 ZINC001186131467 1134173169 /nfs/dbraw/zinc/17/31/69/1134173169.db2.gz GAJXYLWJKPEGQE-UHFFFAOYSA-N -1 0 326.465 3.555 20 0 EHADRM O=C(Nc1ccc(OC[C@@H]2CCCO2)c(F)c1)c1cccc([S-])c1 ZINC001186153149 1134176361 /nfs/dbraw/zinc/17/63/61/1134176361.db2.gz WVAWQXWTSCFKDU-AWEZNQCLSA-N -1 0 347.411 3.925 20 0 EHADRM O=S(=O)([N-]c1ccc2ncncc2c1)c1csc2ccccc21 ZINC001186499029 1134222494 /nfs/dbraw/zinc/22/24/94/1134222494.db2.gz RWFVVFIWHFSKGJ-UHFFFAOYSA-N -1 0 341.417 3.645 20 0 EHADRM Cn1cnc2cccc([N-]S(=O)(=O)c3csc4ccccc43)c21 ZINC001186498368 1134222853 /nfs/dbraw/zinc/22/28/53/1134222853.db2.gz NPMLAJUCDBNWMS-UHFFFAOYSA-N -1 0 343.433 3.589 20 0 EHADRM Cc1cc(CO)cc([N-]S(=O)(=O)c2csc3ccccc32)c1 ZINC001186497800 1134222997 /nfs/dbraw/zinc/22/29/97/1134222997.db2.gz HFOWQCZUHGVJHZ-UHFFFAOYSA-N -1 0 333.434 3.503 20 0 EHADRM O=S(=O)([N-]c1ccc2nnsc2c1)c1csc2ccccc21 ZINC001186499316 1134223745 /nfs/dbraw/zinc/22/37/45/1134223745.db2.gz WEAYXHQBXOPAMX-UHFFFAOYSA-N -1 0 347.446 3.707 20 0 EHADRM Cc1cnn(CC2CC2)c1[N-]S(=O)(=O)c1csc2ccccc21 ZINC001186463749 1134225271 /nfs/dbraw/zinc/22/52/71/1134225271.db2.gz GDHTVAHTJZKYDN-UHFFFAOYSA-N -1 0 347.465 3.617 20 0 EHADRM O=S(=O)([N-]c1ccnc2cc(C(F)(F)F)ccc12)c1ccco1 ZINC001186805029 1134254964 /nfs/dbraw/zinc/25/49/64/1134254964.db2.gz FBXWOGIWTQOFQC-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM O=C(NCCc1c(F)cccc1Cl)c1cc(F)c(F)c([O-])c1F ZINC001186766629 1134255160 /nfs/dbraw/zinc/25/51/60/1134255160.db2.gz GUOCCRNCAFHLLJ-UHFFFAOYSA-N -1 0 347.695 3.575 20 0 EHADRM O=S(=O)([N-]c1ccc(CCc2ccccc2)cc1)c1ccco1 ZINC001186851643 1134260189 /nfs/dbraw/zinc/26/01/89/1134260189.db2.gz IKMRWPFDCFPQRW-UHFFFAOYSA-N -1 0 327.405 3.866 20 0 EHADRM O=C(NCc1ccc(C(F)(F)F)cc1)Nc1c(O)cccc1F ZINC001186810531 1134261360 /nfs/dbraw/zinc/26/13/60/1134261360.db2.gz VYVRZSBKFPKWGV-UHFFFAOYSA-N -1 0 328.265 3.872 20 0 EHADRM O=S(=O)([N-]c1ncc(F)cc1Cl)c1cc2c(s1)CCCC2 ZINC001187184340 1134306786 /nfs/dbraw/zinc/30/67/86/1134306786.db2.gz AXMCRHLOHAHXLI-UHFFFAOYSA-N -1 0 346.836 3.615 20 0 EHADRM Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187173576 1134310701 /nfs/dbraw/zinc/31/07/01/1134310701.db2.gz GEMOJQKHAGSCDT-UHFFFAOYSA-N -1 0 325.430 3.875 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)cc1F ZINC001187174259 1134311317 /nfs/dbraw/zinc/31/13/17/1134311317.db2.gz ZKOVZZSUPRCXER-UHFFFAOYSA-N -1 0 325.430 3.875 20 0 EHADRM Cc1oncc1S(=O)(=O)[N-]c1ccc(-c2ccc(C)cc2)cc1 ZINC001187375891 1134329804 /nfs/dbraw/zinc/32/98/04/1134329804.db2.gz GEMQKFZRZIMRIZ-UHFFFAOYSA-N -1 0 328.393 3.759 20 0 EHADRM O=S(=O)([N-]c1cccc(OCc2ccccc2)c1)c1nccs1 ZINC001187847403 1134390094 /nfs/dbraw/zinc/39/00/94/1134390094.db2.gz JFBJYJYOVLEQQI-UHFFFAOYSA-N -1 0 346.433 3.523 20 0 EHADRM C=Cc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC001187969636 1134405544 /nfs/dbraw/zinc/40/55/44/1134405544.db2.gz RGWGTLIUOURMQG-UHFFFAOYSA-N -1 0 329.208 3.832 20 0 EHADRM Cc1c(C)c([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)ccc1F ZINC001187969857 1134405683 /nfs/dbraw/zinc/40/56/83/1134405683.db2.gz XBZIJRBWFSUSIG-UHFFFAOYSA-N -1 0 349.214 3.945 20 0 EHADRM COc1cccc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c1C ZINC001188068996 1134423015 /nfs/dbraw/zinc/42/30/15/1134423015.db2.gz KQCOWOUPQQVIAI-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM O=S(=O)([N-]c1cnc2ccccc2c1C(F)(F)F)c1ccoc1 ZINC001188579735 1134484089 /nfs/dbraw/zinc/48/40/89/1134484089.db2.gz IKRKILYFYCLRBW-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM Cc1coc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)n1 ZINC001188803297 1134510534 /nfs/dbraw/zinc/51/05/34/1134510534.db2.gz SGTVVYVBAJYTRL-UHFFFAOYSA-N -1 0 328.349 3.683 20 0 EHADRM O=C(OCc1cc(F)cc2cccnc21)c1c(F)cc([O-])cc1F ZINC000746986559 1134516118 /nfs/dbraw/zinc/51/61/18/1134516118.db2.gz KPQHYSMPRCPYPN-UHFFFAOYSA-N -1 0 333.265 3.715 20 0 EHADRM Cc1cccc(NS(=O)(=O)c2ccc(Oc3cccnc3)cc2)c1 ZINC001188846811 1134516654 /nfs/dbraw/zinc/51/66/54/1134516654.db2.gz KWOBNFZHDXFXRB-UHFFFAOYSA-N -1 0 340.404 3.983 20 0 EHADRM C[C@H](CC(=O)c1ccccc1)NC(=O)c1cc2sccc2c(O)c1 ZINC000791389435 1134542311 /nfs/dbraw/zinc/54/23/11/1134542311.db2.gz OHMVILFUDBPQOF-GFCCVEGCSA-N -1 0 339.416 3.998 20 0 EHADRM CCCCCc1ccc(C(=O)Nc2ccccc2-c2nn[nH]n2)cc1 ZINC001189194625 1134550998 /nfs/dbraw/zinc/55/09/98/1134550998.db2.gz DMHXOVYHBMKTOD-UHFFFAOYSA-N -1 0 335.411 3.852 20 0 EHADRM O=S(=O)(Cc1ccc(F)c(F)c1)Nc1cc2ccccc2cc1O ZINC001189309739 1134568561 /nfs/dbraw/zinc/56/85/61/1134568561.db2.gz MMDOVHSRSBOJSU-UHFFFAOYSA-N -1 0 349.358 3.766 20 0 EHADRM Cc1ccc2cccnc2c1[N-]S(=O)(=O)Cc1ccc(F)c(F)c1 ZINC001189312437 1134569017 /nfs/dbraw/zinc/56/90/17/1134569017.db2.gz ZGYRKXKHTAAKMM-UHFFFAOYSA-N -1 0 348.374 3.763 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)ncc2C)c1 ZINC001189576794 1134602664 /nfs/dbraw/zinc/60/26/64/1134602664.db2.gz GITWXZQQULWFNX-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000775297580 1134619711 /nfs/dbraw/zinc/61/97/11/1134619711.db2.gz SRYFMVXYWYPNKX-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1c(O)ccc2ccccc21 ZINC001189827015 1134631301 /nfs/dbraw/zinc/63/13/01/1134631301.db2.gz IFRIYYOKQDMPAK-UHFFFAOYSA-N -1 0 349.358 3.766 20 0 EHADRM C[C@]1(c2ccccc2)CCCN(S(=O)(=O)c2ccccc2[O-])CC1 ZINC001190188170 1134663774 /nfs/dbraw/zinc/66/37/74/1134663774.db2.gz FUBOWOUWNQZHPN-IBGZPJMESA-N -1 0 345.464 3.525 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cnc(C)c(C)n2)cc1 ZINC001190424272 1134698501 /nfs/dbraw/zinc/69/85/01/1134698501.db2.gz XGKIPDBZKXPOKF-UHFFFAOYSA-N -1 0 333.457 3.582 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2nc(C)ccc2OC)cc1 ZINC001190431341 1134699182 /nfs/dbraw/zinc/69/91/82/1134699182.db2.gz IZZZKVBLKKONIL-UHFFFAOYSA-N -1 0 348.468 3.887 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cn(C(C)C)cn2)cc1 ZINC001190432723 1134700261 /nfs/dbraw/zinc/70/02/61/1134700261.db2.gz WTXBJIVXSRAENM-UHFFFAOYSA-N -1 0 335.473 3.952 20 0 EHADRM Cn1c([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc2ccccc21 ZINC001190471715 1134705348 /nfs/dbraw/zinc/70/53/48/1134705348.db2.gz IEKDAEQSLJCDPT-UHFFFAOYSA-N -1 0 326.421 3.857 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)n(C2CCC2)n1 ZINC001190471770 1134705947 /nfs/dbraw/zinc/70/59/47/1134705947.db2.gz KYMVYKGCEMMEGG-UHFFFAOYSA-N -1 0 331.441 3.595 20 0 EHADRM Cc1cccc(Oc2ccccc2)c1[N-]S(=O)(=O)c1ccncc1 ZINC001190890168 1134764343 /nfs/dbraw/zinc/76/43/43/1134764343.db2.gz WBZJKUYTEAZAMP-UHFFFAOYSA-N -1 0 340.404 3.983 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cc(OC)c(C)cn2)cc1 ZINC001191233074 1134832975 /nfs/dbraw/zinc/83/29/75/1134832975.db2.gz OKDWEVUEGVIUIX-UHFFFAOYSA-N -1 0 334.441 3.542 20 0 EHADRM CCC[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1c(F)cccc1F ZINC001191339516 1134845409 /nfs/dbraw/zinc/84/54/09/1134845409.db2.gz COJXPOBXVIBLTC-CHWSQXEVSA-N -1 0 331.428 3.850 20 0 EHADRM Cc1cc2ccc(NC(=O)c3nc(Br)ccc3[O-])cc2[nH]1 ZINC001191749108 1134916097 /nfs/dbraw/zinc/91/60/97/1134916097.db2.gz QXGSOBUDYUOENM-UHFFFAOYSA-N -1 0 346.184 3.592 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2ncccc2c1 ZINC001191780328 1134920368 /nfs/dbraw/zinc/92/03/68/1134920368.db2.gz OHYMMDMMCPULNI-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cccc2c1CCC2 ZINC001191780774 1134920995 /nfs/dbraw/zinc/92/09/95/1134920995.db2.gz UKYMJDWMYUVJNC-UHFFFAOYSA-N -1 0 331.437 3.683 20 0 EHADRM COc1ccc2cc(S(=O)(=O)[N-]c3nc(C)ccc3C)ccc2c1 ZINC001191941232 1134944639 /nfs/dbraw/zinc/94/46/39/1134944639.db2.gz WLCBIPFZBMGHDE-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM CCCCCCNC(=O)Nc1cc(Br)cc(F)c1[O-] ZINC001191977875 1134954731 /nfs/dbraw/zinc/95/47/31/1134954731.db2.gz INPSUOZIXQJABU-UHFFFAOYSA-N -1 0 333.201 3.996 20 0 EHADRM O=C(C[C@H]1CCCOC1)Nc1cc(Br)cc(Cl)c1[O-] ZINC000793749274 1134988402 /nfs/dbraw/zinc/98/84/02/1134988402.db2.gz IUJCYQKJEXXWLL-MRVPVSSYSA-N -1 0 348.624 3.563 20 0 EHADRM Cc1cc(Cl)ncc1S(=O)(=O)Nc1ccc(Cl)cc1F ZINC001192355922 1135004524 /nfs/dbraw/zinc/00/45/24/1135004524.db2.gz LCPJRBNWITZZCC-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM COC(=O)c1ccc([O-])c(C(=O)Nc2c(C)ccc3ccccc32)c1 ZINC001192380780 1135008989 /nfs/dbraw/zinc/00/89/89/1135008989.db2.gz KWJVIULFQKEHPG-UHFFFAOYSA-N -1 0 335.359 3.893 20 0 EHADRM Cc1c(Cl)cc(NC(=O)c2cnc(C(F)F)cn2)c([O-])c1Cl ZINC001192565843 1135030858 /nfs/dbraw/zinc/03/08/58/1135030858.db2.gz FHZFRQWIIQZDDF-UHFFFAOYSA-N -1 0 348.136 3.987 20 0 EHADRM Cc1cc(S(=O)(=O)Nc2c([S-])cccc2Cl)cnc1Cl ZINC001192576123 1135033938 /nfs/dbraw/zinc/03/39/38/1135033938.db2.gz ALRANJBZTPGNRF-UHFFFAOYSA-N -1 0 349.264 3.786 20 0 EHADRM Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2[S-])cnc1Cl ZINC001192572540 1135038745 /nfs/dbraw/zinc/03/87/45/1135038745.db2.gz ZNUMZKNGSBCEIP-UHFFFAOYSA-N -1 0 349.264 3.786 20 0 EHADRM O=C(Nc1cccc(C(F)(F)F)c1O)c1c([O-])c(F)ccc1F ZINC001192716716 1135051308 /nfs/dbraw/zinc/05/13/08/1135051308.db2.gz ZVEXADPYISJJCM-UHFFFAOYSA-N -1 0 333.212 3.647 20 0 EHADRM O=C(Nc1ccc(C2CCOCC2)cc1)c1c([O-])ccc(F)c1F ZINC001192765213 1135052618 /nfs/dbraw/zinc/05/26/18/1135052618.db2.gz UVSRBXGEQIFXJC-UHFFFAOYSA-N -1 0 333.334 3.817 20 0 EHADRM Cc1cc(NC(=O)c2cc(F)c([O-])cc2F)n(-c2ccccc2F)n1 ZINC001192852666 1135066252 /nfs/dbraw/zinc/06/62/52/1135066252.db2.gz JOJRZEWMGCAMLI-UHFFFAOYSA-N -1 0 347.296 3.556 20 0 EHADRM O=S(=O)([N-]c1cccnc1-c1ccccc1)c1cnccc1Cl ZINC001192854938 1135066715 /nfs/dbraw/zinc/06/67/15/1135066715.db2.gz PNTVSKNPXOPOCD-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]CC(F)(F)C(C)(C)C)sc1Cl ZINC001192896416 1135069871 /nfs/dbraw/zinc/06/98/71/1135069871.db2.gz WYZZELWWDXGIOK-UHFFFAOYSA-N -1 0 331.837 3.670 20 0 EHADRM O=C(N[C@H](c1ccccc1)c1ccncc1)c1cc(F)c([O-])cc1F ZINC001192879917 1135074570 /nfs/dbraw/zinc/07/45/70/1135074570.db2.gz RRAZCIICVQKNQC-GOSISDBHSA-N -1 0 340.329 3.585 20 0 EHADRM O=C(Nc1nc2ccccc2s1)c1cc(Cl)nc(Cl)c1[O-] ZINC001193084130 1135097567 /nfs/dbraw/zinc/09/75/67/1135097567.db2.gz LZPPXZIZQPXNHR-UHFFFAOYSA-N -1 0 340.191 3.956 20 0 EHADRM O=C(NC[C@@H]1CCCC(F)(F)C1)c1cc(Cl)nc(Cl)c1[O-] ZINC001193101736 1135101874 /nfs/dbraw/zinc/10/18/74/1135101874.db2.gz ZNRUXBZTNCBGFS-SSDOTTSWSA-N -1 0 339.169 3.649 20 0 EHADRM CC(=O)c1c(F)cccc1NC(=O)c1cc(Cl)nc(Cl)c1[O-] ZINC001193092856 1135106107 /nfs/dbraw/zinc/10/61/07/1135106107.db2.gz DQFIPHDHIIRXGD-UHFFFAOYSA-N -1 0 343.141 3.688 20 0 EHADRM Cc1ccccc1Oc1ccccc1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC001193265252 1135120085 /nfs/dbraw/zinc/12/00/85/1135120085.db2.gz RTPNZDZSKDVBEO-OAHLLOKOSA-N -1 0 347.436 3.708 20 0 EHADRM Cc1cc(C)cc(-n2ccnc2SCC(=O)[N-]OC2CCCC2)c1 ZINC000775599205 1135139556 /nfs/dbraw/zinc/13/95/56/1135139556.db2.gz TYIAXCMUAFOZFM-UHFFFAOYSA-N -1 0 345.468 3.572 20 0 EHADRM O=S(=O)(CC1CCC1)[N-][C@@H](c1cccc(Cl)c1)C(F)(F)F ZINC001193533190 1135144844 /nfs/dbraw/zinc/14/48/44/1135144844.db2.gz REUMKTFIKSRROE-LBPRGKRZSA-N -1 0 341.782 3.663 20 0 EHADRM Cn1ccnc1S(=O)(=O)[N-]c1c(Cl)cccc1-c1ccccc1 ZINC001193604056 1135164913 /nfs/dbraw/zinc/16/49/13/1135164913.db2.gz MAYFYXIIVSUCTB-UHFFFAOYSA-N -1 0 347.827 3.541 20 0 EHADRM O=C(Nc1nc2ccccc2nc1Cl)c1ccc(F)c([O-])c1F ZINC001193769953 1135184702 /nfs/dbraw/zinc/18/47/02/1135184702.db2.gz KATPFKQIRMAGEH-UHFFFAOYSA-N -1 0 335.697 3.519 20 0 EHADRM O=C(N[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1)c1ccc(F)c([O-])c1F ZINC001193800711 1135186346 /nfs/dbraw/zinc/18/63/46/1135186346.db2.gz OMDPPAMEVAVWIB-VLWCASSMSA-N -1 0 343.373 3.983 20 0 EHADRM COc1ccc(C)nc1[N-]S(=O)(=O)c1ccc(C)c2ccccc21 ZINC001193835018 1135191655 /nfs/dbraw/zinc/19/16/55/1135191655.db2.gz ZGANTSKCBFGSBN-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM C[C@@H](O)c1cc(NC(=O)c2cc(F)c([O-])c(Cl)c2)ccc1F ZINC000804797076 1135194243 /nfs/dbraw/zinc/19/42/43/1135194243.db2.gz IWPFLVQZPMFGCA-SSDOTTSWSA-N -1 0 327.714 3.629 20 0 EHADRM C[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1ccc(Br)cc1F ZINC000804891908 1135215338 /nfs/dbraw/zinc/21/53/38/1135215338.db2.gz KKACNJKRKNGENR-RXMQYKEDSA-N -1 0 346.093 3.666 20 0 EHADRM O=S(=O)([N-]c1ccnc(F)c1)c1ccc(-c2cccs2)cc1 ZINC001194142729 1135239895 /nfs/dbraw/zinc/23/98/95/1135239895.db2.gz XJGDDKDNOPOQFX-UHFFFAOYSA-N -1 0 334.397 3.750 20 0 EHADRM CCc1cnc([N-]S(=O)(=O)c2ccc3c(Cl)cccc3c2)cn1 ZINC001194217613 1135246443 /nfs/dbraw/zinc/24/64/43/1135246443.db2.gz QTYIIEPBNFDSQJ-UHFFFAOYSA-N -1 0 347.827 3.646 20 0 EHADRM O=S(=O)([N-]c1nonc1C1CC1)c1ccc2c(Cl)cccc2c1 ZINC001194225719 1135246700 /nfs/dbraw/zinc/24/67/00/1135246700.db2.gz FBNCJLIHXSOIPH-UHFFFAOYSA-N -1 0 349.799 3.554 20 0 EHADRM O=S(=O)([N-]c1csc(Cl)c1)c1ccc(C(F)(F)F)cn1 ZINC001194268325 1135252866 /nfs/dbraw/zinc/25/28/66/1135252866.db2.gz GIZTXPLPOBMQQP-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1ccc(-n2ccnc2)cc1 ZINC000805256512 1135253311 /nfs/dbraw/zinc/25/33/11/1135253311.db2.gz PDVPAMJSLGZWKR-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM CCOc1nc2cc(C(=O)Nc3cc(Cl)c([O-])cc3F)ccc2[nH]1 ZINC000805260782 1135254717 /nfs/dbraw/zinc/25/47/17/1135254717.db2.gz YFOVTHCETMXMAQ-UHFFFAOYSA-N -1 0 349.749 3.712 20 0 EHADRM Cc1cncc([N-]S(=O)(=O)c2cccc3c(Cl)cccc32)c1 ZINC001194402904 1135264993 /nfs/dbraw/zinc/26/49/93/1135264993.db2.gz BJZAQWSHBWYRRD-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM COc1ccncc1[N-]S(=O)(=O)c1cccc2c(Cl)cccc21 ZINC001194410895 1135266101 /nfs/dbraw/zinc/26/61/01/1135266101.db2.gz GHNSIWUGVMKBJN-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM Cc1cc(F)cc(C)c1[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC001194576194 1135287869 /nfs/dbraw/zinc/28/78/69/1135287869.db2.gz HVVICVXAYNMAFM-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM CC(=O)c1c(F)cc(F)cc1[N-]S(=O)(=O)c1c(C)cccc1C ZINC001194643275 1135296458 /nfs/dbraw/zinc/29/64/58/1135296458.db2.gz JZLOFQKLDAACIC-UHFFFAOYSA-N -1 0 339.363 3.585 20 0 EHADRM O=C(Nc1c(Cl)ccc([O-])c1Cl)c1c[nH]c(C(F)(F)F)n1 ZINC001194782103 1135315631 /nfs/dbraw/zinc/31/56/31/1135315631.db2.gz NLLNERUUCYBKKT-UHFFFAOYSA-N -1 0 340.088 3.693 20 0 EHADRM CC(C)CCOC(=O)Nc1cccc2cc(S(=O)(=O)[O-])ccc21 ZINC001194874680 1135333806 /nfs/dbraw/zinc/33/38/06/1135333806.db2.gz JXGBDJIKDVSPPW-UHFFFAOYSA-N -1 0 337.397 3.681 20 0 EHADRM O=S(=O)([N-]c1cc2cccccc-2c1)c1cccc2nccnc21 ZINC001194945975 1135344884 /nfs/dbraw/zinc/34/48/84/1135344884.db2.gz RGAZXJNGHWRSJZ-UHFFFAOYSA-N -1 0 335.388 3.535 20 0 EHADRM CC(C)Cc1cccc([N-]S(=O)(=O)c2cccc3nccnc32)c1 ZINC001194986097 1135350339 /nfs/dbraw/zinc/35/03/39/1135350339.db2.gz OLGNFSKFNNVMEE-UHFFFAOYSA-N -1 0 341.436 3.629 20 0 EHADRM Cc1ccc2nc([N-]S(=O)(=O)CC[Si](C)(C)C)sc2c1 ZINC001195041184 1135358172 /nfs/dbraw/zinc/35/81/72/1135358172.db2.gz QWRZXMJQZMFCKT-UHFFFAOYSA-N -1 0 328.535 3.685 20 0 EHADRM Cc1cn2c(cccc2[N-]S(=O)(=O)c2cccc(C(C)C)c2)n1 ZINC001195107792 1135369497 /nfs/dbraw/zinc/36/94/97/1135369497.db2.gz JBGUXKXETWCREQ-UHFFFAOYSA-N -1 0 329.425 3.567 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2nsc3ncccc23)c1 ZINC001195119847 1135372548 /nfs/dbraw/zinc/37/25/48/1135372548.db2.gz BLPAQMXOGJFGNU-UHFFFAOYSA-N -1 0 333.438 3.616 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(C(F)F)cn2)c1 ZINC001195120180 1135372769 /nfs/dbraw/zinc/37/27/69/1135372769.db2.gz DDMLRABAOYJQRB-UHFFFAOYSA-N -1 0 326.368 3.943 20 0 EHADRM Cc1cccc(N2CCN(C(=O)c3cccc(Cl)c3[O-])CC2)c1C ZINC000775638217 1135378769 /nfs/dbraw/zinc/37/87/69/1135378769.db2.gz CEJCUPCFHONXPN-UHFFFAOYSA-N -1 0 344.842 3.625 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cnc2ccccc2c1 ZINC001195267706 1135401574 /nfs/dbraw/zinc/40/15/74/1135401574.db2.gz IPBZCJCLRNWGAE-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1nc2ccc(F)cc2o1 ZINC001195268099 1135402778 /nfs/dbraw/zinc/40/27/78/1135402778.db2.gz OQFQJHGGZGUINN-UHFFFAOYSA-N -1 0 340.763 3.730 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(OC(C)C)nc1 ZINC001195277106 1135404627 /nfs/dbraw/zinc/40/46/27/1135404627.db2.gz DMAOJUCFFDPGCV-UHFFFAOYSA-N -1 0 340.832 3.631 20 0 EHADRM CSc1cc([N-]S(=O)(=O)c2c(C)cccc2Cl)ccn1 ZINC001195283788 1135407493 /nfs/dbraw/zinc/40/74/93/1135407493.db2.gz GCGCOTKDGBYZOF-UHFFFAOYSA-N -1 0 328.846 3.566 20 0 EHADRM Cc1cc(O)cc(C)c1NC(=O)c1c([O-])c(F)c(F)c(F)c1F ZINC001195303316 1135409609 /nfs/dbraw/zinc/40/96/09/1135409609.db2.gz VFTSIFKWKHDQHO-UHFFFAOYSA-N -1 0 329.249 3.523 20 0 EHADRM CC(=O)c1cc([N-]S(=O)(=O)c2c(C)cccc2Cl)ccc1F ZINC001195310135 1135411706 /nfs/dbraw/zinc/41/17/06/1135411706.db2.gz ULBPKHLEBUNUER-UHFFFAOYSA-N -1 0 341.791 3.791 20 0 EHADRM Cc1nn(C)c2ccc([N-]S(=O)(=O)c3c(C)cccc3Cl)cc12 ZINC001195309951 1135412117 /nfs/dbraw/zinc/41/21/17/1135412117.db2.gz QLTLBNPHAIYOAG-UHFFFAOYSA-N -1 0 349.843 3.644 20 0 EHADRM CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC001195317108 1135413449 /nfs/dbraw/zinc/41/34/49/1135413449.db2.gz OWHJSHIKRGNKJJ-UHFFFAOYSA-N -1 0 341.791 3.791 20 0 EHADRM CON(CC(C)(C)C)C(=O)N=c1[n-]nc(C=Cc2ccco2)s1 ZINC000806377665 1135431265 /nfs/dbraw/zinc/43/12/65/1135431265.db2.gz OKWXKNCFNYIQDG-BQYQJAHWSA-N -1 0 336.417 3.743 20 0 EHADRM CCOC1CC2(C[C@H]2C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC000867118708 1135431415 /nfs/dbraw/zinc/43/14/15/1135431415.db2.gz WYSJSLFTVGCAPV-VOZQYIJBSA-N -1 0 330.211 3.843 20 0 EHADRM O=C(NCc1ccccc1N1CCCC1)c1cccc(Cl)c1[O-] ZINC000775667818 1135454078 /nfs/dbraw/zinc/45/40/78/1135454078.db2.gz NSKOSASLESLROS-UHFFFAOYSA-N -1 0 330.815 3.576 20 0 EHADRM COc1ccc(/C=C/c2ncc(/C=C/C(=O)[O-])s2)c(C)c1OC ZINC000806573534 1135463769 /nfs/dbraw/zinc/46/37/69/1135463769.db2.gz LWWZHHKYRGVZBP-XVYDYJIPSA-N -1 0 331.393 3.737 20 0 EHADRM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc(Cl)cn1 ZINC001196197490 1135530108 /nfs/dbraw/zinc/53/01/08/1135530108.db2.gz NOAIUZBZNQNHTM-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM COc1cc(C(F)(F)F)ccc1NC(=O)c1cc(Cl)ncc1[O-] ZINC001196395884 1135554287 /nfs/dbraw/zinc/55/42/87/1135554287.db2.gz KRSKXSFVMLJBRS-UHFFFAOYSA-N -1 0 346.692 3.720 20 0 EHADRM CC(=O)c1ccc(NC(=O)c2cc(Cl)c(F)cc2[O-])c(F)c1 ZINC001196467808 1135563845 /nfs/dbraw/zinc/56/38/45/1135563845.db2.gz UODWXMDYGVGVJE-UHFFFAOYSA-N -1 0 325.698 3.779 20 0 EHADRM C[C@H]1C(=O)CCN(C(=O)c2cc(Cl)c(F)cc2[O-])C12CCCC2 ZINC001196465798 1135564266 /nfs/dbraw/zinc/56/42/66/1135564266.db2.gz CYXWSINNMSEGCT-JTQLQIEISA-N -1 0 339.794 3.549 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)c1cc(Cl)c(F)cc1[O-])C1CC1 ZINC001196478237 1135565591 /nfs/dbraw/zinc/56/55/91/1135565591.db2.gz QEWUPPGIBWGIJQ-MRXNPFEDSA-N -1 0 334.778 3.769 20 0 EHADRM O=C(N[C@@H](c1ccnc(F)c1)C1CC1)c1cc(Cl)c(F)cc1[O-] ZINC001196477758 1135566054 /nfs/dbraw/zinc/56/60/54/1135566054.db2.gz GIXIFYQNOZCSSQ-OAHLLOKOSA-N -1 0 338.741 3.600 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCCO[C@@H](c2ccccc2)C1 ZINC000775718722 1135566924 /nfs/dbraw/zinc/56/69/24/1135566924.db2.gz NPJPWZOGVRPQIU-MRXNPFEDSA-N -1 0 331.799 3.649 20 0 EHADRM CN(CCc1ccc(F)cc1)C(=O)c1cc(Cl)c(F)cc1[O-] ZINC001196461494 1135570042 /nfs/dbraw/zinc/57/00/42/1135570042.db2.gz BNIMTRLVFUIJMS-UHFFFAOYSA-N -1 0 325.742 3.639 20 0 EHADRM CSCc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2C)c1 ZINC000808090644 1135616786 /nfs/dbraw/zinc/61/67/86/1135616786.db2.gz NQFWSONOSYXFIK-UHFFFAOYSA-N -1 0 342.873 3.707 20 0 EHADRM CCCc1nc(C)c([N-]S(=O)(=O)c2ccc(Cl)nc2C)s1 ZINC000808109730 1135618577 /nfs/dbraw/zinc/61/85/77/1135618577.db2.gz CIVHPFPGUPMUGP-UHFFFAOYSA-N -1 0 345.877 3.562 20 0 EHADRM Cn1cnc(S(=O)(=O)[N-]c2cccc(-c3ccccc3)c2)c1Cl ZINC000808115549 1135619504 /nfs/dbraw/zinc/61/95/04/1135619504.db2.gz IOLNBHBEYMNNRC-UHFFFAOYSA-N -1 0 347.827 3.541 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2ncc(Cl)cc2Cl)cc1 ZINC001197075369 1135647570 /nfs/dbraw/zinc/64/75/70/1135647570.db2.gz LMBIEKPXFGPYST-UHFFFAOYSA-N -1 0 342.207 3.896 20 0 EHADRM Cc1ccc2c(c1)CC[C@H]2NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197129855 1135647981 /nfs/dbraw/zinc/64/79/81/1135647981.db2.gz JMTOLPPXWPDELV-MRXNPFEDSA-N -1 0 326.421 3.667 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2ccnc(C3CCC3)c2)cc1 ZINC001197082819 1135648217 /nfs/dbraw/zinc/64/82/17/1135648217.db2.gz JBUDGPVTFUVREE-UHFFFAOYSA-N -1 0 327.409 3.856 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2cncc(C3CCC3)c2)cc1 ZINC001197083976 1135648232 /nfs/dbraw/zinc/64/82/32/1135648232.db2.gz RFUHBBDPTALMBS-UHFFFAOYSA-N -1 0 327.409 3.856 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NC2(c3ccc(F)cc3)CCC2)cc1 ZINC001197138259 1135648961 /nfs/dbraw/zinc/64/89/61/1135648961.db2.gz HQLASKUVLFKZMC-UHFFFAOYSA-N -1 0 344.411 3.890 20 0 EHADRM C[C@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)c1cc(F)ccc1F ZINC001197139982 1135649268 /nfs/dbraw/zinc/64/92/68/1135649268.db2.gz MEEATXVMEHBEBQ-VIFPVBQESA-N -1 0 336.363 3.711 20 0 EHADRM CN(C/C=C/c1ccccc1)C(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197102356 1135649614 /nfs/dbraw/zinc/64/96/14/1135649614.db2.gz ATOHXFGCVWJIJR-VMPITWQZSA-N -1 0 326.421 3.727 20 0 EHADRM CCCOc1ccccc1NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197114466 1135651434 /nfs/dbraw/zinc/65/14/34/1135651434.db2.gz BULWEDPSDVMEPW-UHFFFAOYSA-N -1 0 330.409 3.983 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2cc(Cl)cc3ncoc32)cc1 ZINC001197119550 1135652132 /nfs/dbraw/zinc/65/21/32/1135652132.db2.gz NDSNDQCXEDDRRN-UHFFFAOYSA-N -1 0 347.783 3.988 20 0 EHADRM CCOc1c(F)cccc1NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197119226 1135652189 /nfs/dbraw/zinc/65/21/89/1135652189.db2.gz GAIUNIJYTMWZTH-UHFFFAOYSA-N -1 0 334.372 3.732 20 0 EHADRM CC[C@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)c1ccccc1F ZINC001197129451 1135653435 /nfs/dbraw/zinc/65/34/35/1135653435.db2.gz ABJMDNSENSAQIF-HNNXBMFYSA-N -1 0 332.400 3.962 20 0 EHADRM O=C(C[C@H]1CCCN1C(=O)c1cccc(Cl)c1[O-])c1cccs1 ZINC000775772283 1135686705 /nfs/dbraw/zinc/68/67/05/1135686705.db2.gz TZSWKGIPZWUVMV-LLVKDONJSA-N -1 0 349.839 3.985 20 0 EHADRM CCOC(=O)CCc1cccc(C(=O)Nc2ccccc2[S-])c1 ZINC001197541567 1135703003 /nfs/dbraw/zinc/70/30/03/1135703003.db2.gz XPSFVAQFFVBTQP-UHFFFAOYSA-N -1 0 329.421 3.723 20 0 EHADRM CC(C)(C(=O)[N-]OCc1cc(-c2ccccc2)on1)c1ccccc1 ZINC000104054088 1135747060 /nfs/dbraw/zinc/74/70/60/1135747060.db2.gz PTJPTZMHKSADTR-UHFFFAOYSA-N -1 0 336.391 3.867 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2cccc(-c3ccc(F)cc3)c2)c1 ZINC001197998739 1135760246 /nfs/dbraw/zinc/76/02/46/1135760246.db2.gz HQZUDZOOFFZCNE-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2ccc(-c3cccc(O)c3)cc2)c1 ZINC001198012904 1135761745 /nfs/dbraw/zinc/76/17/45/1135761745.db2.gz ZHNCSQPCJKLOMV-UHFFFAOYSA-N -1 0 340.404 3.563 20 0 EHADRM O=S(=O)(Nc1ccc2ccccc2c1)c1ccc2nccnc2c1 ZINC001198148678 1135779066 /nfs/dbraw/zinc/77/90/66/1135779066.db2.gz RCFVQZIAIXPNLX-UHFFFAOYSA-N -1 0 335.388 3.584 20 0 EHADRM COc1cccc(C2(NC(=O)c3cccc(Cl)c3[O-])CCC2)c1 ZINC001131579295 1135781789 /nfs/dbraw/zinc/78/17/89/1135781789.db2.gz ZOYAUSBFQWFQNK-UHFFFAOYSA-N -1 0 331.799 3.863 20 0 EHADRM Cc1ccc(Br)c(Nc2cc(F)c(C(=O)[O-])c(F)c2)n1 ZINC001203315819 1135806493 /nfs/dbraw/zinc/80/64/93/1135806493.db2.gz CBKLNPCZEXJDKP-UHFFFAOYSA-N -1 0 343.127 3.873 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccccc2Oc2ccccc2)on1 ZINC001198432977 1135815070 /nfs/dbraw/zinc/81/50/70/1135815070.db2.gz XMLHOEMSNXEVPY-UHFFFAOYSA-N -1 0 330.365 3.576 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc3occc3c2)n(CC2CCC2)n1 ZINC001198828998 1135857188 /nfs/dbraw/zinc/85/71/88/1135857188.db2.gz MXCABOWFUOTLSC-UHFFFAOYSA-N -1 0 345.424 3.539 20 0 EHADRM Cc1ncc(Nc2cc(F)c(C(=O)[O-])c(F)c2)cc1Br ZINC001203318633 1135876444 /nfs/dbraw/zinc/87/64/44/1135876444.db2.gz GZSQUYGZGJMWLB-UHFFFAOYSA-N -1 0 343.127 3.873 20 0 EHADRM O=C([N-]c1cc(Cl)cc2ncoc21)c1cnoc1C(F)(F)F ZINC001199060901 1135876700 /nfs/dbraw/zinc/87/67/00/1135876700.db2.gz ZRIQRCWYAZIPEJ-UHFFFAOYSA-N -1 0 331.637 3.740 20 0 EHADRM C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000775943072 1135887534 /nfs/dbraw/zinc/88/75/34/1135887534.db2.gz PKCLSUSCQMYYLN-PSASIEDQSA-N -1 0 344.358 3.920 20 0 EHADRM COc1ccc2cc(Nc3cc(F)c(C(=O)[O-])c(F)c3)cnc2c1 ZINC001203321386 1135906557 /nfs/dbraw/zinc/90/65/57/1135906557.db2.gz CGPJHECWWYMXJD-UHFFFAOYSA-N -1 0 330.290 3.963 20 0 EHADRM O=C([O-])c1c(F)cc(Nc2ccnn2-c2ccc(F)cc2)cc1F ZINC001203322110 1135911500 /nfs/dbraw/zinc/91/15/00/1135911500.db2.gz SARBKFLCADUKEB-UHFFFAOYSA-N -1 0 333.269 3.731 20 0 EHADRM O=C([N-][C@@H]1CCCOc2c(Cl)cccc21)C(F)(F)C(F)F ZINC000776017058 1135921937 /nfs/dbraw/zinc/92/19/37/1135921937.db2.gz ZJPXHFHVYGQOAS-SECBINFHSA-N -1 0 325.689 3.570 20 0 EHADRM CCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000776068701 1135947291 /nfs/dbraw/zinc/94/72/91/1135947291.db2.gz FZOJGQNCUVIGJD-OAHLLOKOSA-N -1 0 325.474 3.715 20 0 EHADRM CNc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000048854036 1135992800 /nfs/dbraw/zinc/99/28/00/1135992800.db2.gz PKWZDMQHQRZBHL-OAHLLOKOSA-N -1 0 346.346 3.675 20 0 EHADRM O=C(OCCc1c(F)cccc1Cl)c1c(F)cc([O-])cc1F ZINC000747701909 1136078532 /nfs/dbraw/zinc/07/85/32/1136078532.db2.gz DFDSSGNHPMUJFK-UHFFFAOYSA-N -1 0 330.689 3.862 20 0 EHADRM Cc1c(=O)[n-]n(-c2ccccc2)c1NC(=O)Nc1ccc(F)cc1 ZINC001202363904 1136133800 /nfs/dbraw/zinc/13/38/00/1136133800.db2.gz VDTSFBLNBVLIKL-UHFFFAOYSA-N -1 0 326.331 3.669 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccnc(Cl)c2C)c1Cl ZINC000811836304 1136142964 /nfs/dbraw/zinc/14/29/64/1136142964.db2.gz NGYWOFBACMQPCG-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM O=S(=O)(N[C@H]1C[C@H]1c1c(F)cccc1Cl)c1sccc1F ZINC000338909110 1136145536 /nfs/dbraw/zinc/14/55/36/1136145536.db2.gz XLLOKGLPCGCZSD-HQJQHLMTSA-N -1 0 349.811 3.514 20 0 EHADRM O=C(CCCC1CC1)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000813068253 1136285300 /nfs/dbraw/zinc/28/53/00/1136285300.db2.gz WVLVRRNSRIGGCO-UHFFFAOYSA-N -1 0 343.448 3.739 20 0 EHADRM CCSc1cccc(Br)c1[N-]C(=O)c1cnsn1 ZINC000813284833 1136314119 /nfs/dbraw/zinc/31/41/19/1136314119.db2.gz HJCZSEXGCITEFN-UHFFFAOYSA-N -1 0 344.259 3.665 20 0 EHADRM O=C(CC1CCC1)O[C@@H]1C[C@H]([N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000851175007 1136346266 /nfs/dbraw/zinc/34/62/66/1136346266.db2.gz COJIIEQJIVPAOH-UONOGXRCSA-N -1 0 341.329 3.584 20 0 EHADRM CC[C@@H](CC(=O)[N-]S(=O)(=O)[C@@H](CC)c1ccccc1)C(C)C ZINC000814022937 1136387603 /nfs/dbraw/zinc/38/76/03/1136387603.db2.gz SQWSALQICHJXKU-HOCLYGCPSA-N -1 0 325.474 3.656 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)o1 ZINC000851593921 1136395030 /nfs/dbraw/zinc/39/50/30/1136395030.db2.gz DRLACNWISZVSNN-KORIGIIASA-N -1 0 339.391 3.834 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(/C=C\C(=O)[O-])o2)[C@H]1c1cccc(F)c1 ZINC000851599717 1136395269 /nfs/dbraw/zinc/39/52/69/1136395269.db2.gz AXVDCIWSSSYOMI-MWSHKUMGSA-N -1 0 343.354 3.740 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)c2ccccc2C(C)C)C(=O)[O-])cc1 ZINC000851599400 1136395359 /nfs/dbraw/zinc/39/53/59/1136395359.db2.gz OEDPSXCKYBJRNZ-GOSISDBHSA-N -1 0 325.408 3.717 20 0 EHADRM O=C([O-])C1(CNC(=O)c2cccc(SC(F)(F)F)c2)CCCC1 ZINC000851599426 1136395418 /nfs/dbraw/zinc/39/54/18/1136395418.db2.gz OTBLIEZIBJTZDK-UHFFFAOYSA-N -1 0 347.358 3.673 20 0 EHADRM CCCC[C@@](C)(F)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000851598643 1136395515 /nfs/dbraw/zinc/39/55/15/1136395515.db2.gz AJDQOMPAUJWISI-MRXNPFEDSA-N -1 0 327.421 3.861 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC(CCc2ccccc2)CC1 ZINC000851601737 1136395642 /nfs/dbraw/zinc/39/56/42/1136395642.db2.gz MVOFCVXFAAWBSK-UHFFFAOYSA-N -1 0 341.407 3.771 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N[C@@H](c2ccccc2)C2CCC2)o1 ZINC000851602482 1136395781 /nfs/dbraw/zinc/39/57/81/1136395781.db2.gz VKTLRIGPHOVPAS-KSEUIEODSA-N -1 0 325.364 3.649 20 0 EHADRM CC[C@@H](C)c1ccc(NC(=O)CN(CC(=O)[O-])CC(C)(C)C)cc1 ZINC000852740596 1136482298 /nfs/dbraw/zinc/48/22/98/1136482298.db2.gz SLSAYQCALGEWDQ-CQSZACIVSA-N -1 0 334.460 3.571 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cccc(SC(F)(F)F)c1 ZINC000852944568 1136493845 /nfs/dbraw/zinc/49/38/45/1136493845.db2.gz IWFSQDFLIDDELV-MWLCHTKSSA-N -1 0 347.358 3.624 20 0 EHADRM CC(C)Nc1nc(C2([N-]C(=O)C(F)(F)F)CCCCC2)cs1 ZINC000853000257 1136496623 /nfs/dbraw/zinc/49/66/23/1136496623.db2.gz HTICZNGCSPVEKB-UHFFFAOYSA-N -1 0 335.395 3.801 20 0 EHADRM CN(c1nc(C2([N-]C(=O)C(F)(F)F)CCCCC2)cs1)C1CC1 ZINC000853003231 1136496759 /nfs/dbraw/zinc/49/67/59/1136496759.db2.gz GLHAAIGLRXPOEU-UHFFFAOYSA-N -1 0 347.406 3.580 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCC1CCCC1)c1ccc(F)cc1F ZINC000776662073 1136530090 /nfs/dbraw/zinc/53/00/90/1136530090.db2.gz SNHGFIUIAUCQPX-HNNXBMFYSA-N -1 0 325.355 3.567 20 0 EHADRM CC(C)(C)/C=C\C(=O)N[C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000776683087 1136545333 /nfs/dbraw/zinc/54/53/33/1136545333.db2.gz JBOIXPHXCJJEGY-DSYXLKISSA-N -1 0 344.238 3.708 20 0 EHADRM O=C(NCC1CCC(F)(F)CC1)c1ccc2oc(=S)[n-]c2c1 ZINC000854346329 1136609574 /nfs/dbraw/zinc/60/95/74/1136609574.db2.gz ATXNVMTXNQJFRV-UHFFFAOYSA-N -1 0 326.368 3.672 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@]1(C)C(C)C ZINC000816108858 1136677167 /nfs/dbraw/zinc/67/71/67/1136677167.db2.gz PVEMANUQVYMFSK-JZXOWHBKSA-N -1 0 337.485 3.512 20 0 EHADRM CCCC[C@H](C)C(=O)[N-]S(=O)(=O)[C@H](c1ccccc1)C(C)C ZINC000816110991 1136677723 /nfs/dbraw/zinc/67/77/23/1136677723.db2.gz MXBSBWVHVWGZFX-HOCLYGCPSA-N -1 0 325.474 3.656 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C1(F)CCCCC1 ZINC000816112237 1136678153 /nfs/dbraw/zinc/67/81/53/1136678153.db2.gz PILQNKWPDRKANL-OAHLLOKOSA-N -1 0 341.448 3.502 20 0 EHADRM CCCOC(=O)c1ccc(NC(=O)c2c([O-])cccc2Cl)cc1 ZINC001135569426 1136715324 /nfs/dbraw/zinc/71/53/24/1136715324.db2.gz AYQFUFSIMJAAQE-UHFFFAOYSA-N -1 0 333.771 3.865 20 0 EHADRM Cc1cc(C=O)c([O-])c(C(=O)Nc2ccc(Br)cc2)c1 ZINC001135660954 1136747847 /nfs/dbraw/zinc/74/78/47/1136747847.db2.gz IPVNQJYFGSXLCN-UHFFFAOYSA-N -1 0 334.169 3.528 20 0 EHADRM Cc1c(NC(=O)c2n[n-]c3ccccc3c2=O)cccc1-c1ncco1 ZINC000816720076 1136750753 /nfs/dbraw/zinc/75/07/53/1136750753.db2.gz UYCNFCXFEHAGTO-UHFFFAOYSA-N -1 0 346.346 3.551 20 0 EHADRM CCN(Cc1ccc(OC)cc1)C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000816890498 1136761626 /nfs/dbraw/zinc/76/16/26/1136761626.db2.gz NITOFGIRRKWGKR-UHFFFAOYSA-N -1 0 342.420 3.787 20 0 EHADRM CCO[C@@H]1C[C@H](NC(=O)c2ccc3oc(=S)[n-]c3c2)C12CCCC2 ZINC000816941218 1136768094 /nfs/dbraw/zinc/76/80/94/1136768094.db2.gz ZNWCFEGFQFDJKP-LSDHHAIUSA-N -1 0 346.452 3.584 20 0 EHADRM CC[C@H](C)CO[N-]C(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000816980631 1136769802 /nfs/dbraw/zinc/76/98/02/1136769802.db2.gz PISIYLHIKJTMRD-JTQLQIEISA-N -1 0 333.325 3.970 20 0 EHADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1ccc2sccc2c1 ZINC001135859904 1136792578 /nfs/dbraw/zinc/79/25/78/1136792578.db2.gz HNPMPYNBBQBOLR-LBPRGKRZSA-N -1 0 344.358 3.543 20 0 EHADRM Cc1cc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)nn1C(C)C ZINC000817357881 1136798289 /nfs/dbraw/zinc/79/82/89/1136798289.db2.gz OOCXORMMIQJSEL-CMDGGOBGSA-N -1 0 339.848 3.838 20 0 EHADRM Cc1cc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)nn1C(C)C ZINC000817358209 1136798485 /nfs/dbraw/zinc/79/84/85/1136798485.db2.gz UCSRNVUOBZRVAJ-UHFFFAOYSA-N -1 0 331.441 3.501 20 0 EHADRM C/C(=C/C(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1)c1cccs1 ZINC000856979786 1136829773 /nfs/dbraw/zinc/82/97/73/1136829773.db2.gz DTQCKCQZGLXFLM-WOWTTXDGSA-N -1 0 341.432 3.968 20 0 EHADRM Cc1cccc(NC(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])c1C ZINC001136103230 1136857165 /nfs/dbraw/zinc/85/71/65/1136857165.db2.gz WYIYRDSPOGGFOI-UHFFFAOYSA-N -1 0 343.333 3.725 20 0 EHADRM C=CC(=O)Nc1cc(NC(=O)c2ccc([O-])c(Cl)c2)ccc1F ZINC000857462814 1136873563 /nfs/dbraw/zinc/87/35/63/1136873563.db2.gz OIVRZQFTBQBWFY-UHFFFAOYSA-N -1 0 334.734 3.562 20 0 EHADRM COc1cccc([C@@H](C)NC(=O)c2ccc3oc(=S)[n-]c3c2)c1 ZINC001136178578 1136899772 /nfs/dbraw/zinc/89/97/72/1136899772.db2.gz ZJNOOILJZSEJLM-SNVBAGLBSA-N -1 0 328.393 3.616 20 0 EHADRM C[C@H]1CCC[C@H](NC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])C1 ZINC001136204134 1136929212 /nfs/dbraw/zinc/92/92/12/1136929212.db2.gz FLIXJVJANXFSEF-AAEUAGOBSA-N -1 0 333.819 3.540 20 0 EHADRM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)C(F)=C2CCC2)c1 ZINC000819557864 1136952314 /nfs/dbraw/zinc/95/23/14/1136952314.db2.gz GPOFLPKAXWEHRQ-UHFFFAOYSA-N -1 0 344.308 3.520 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2csnc2-c2ccccc2)cc1 ZINC000821116818 1137017411 /nfs/dbraw/zinc/01/74/11/1137017411.db2.gz WMLMQCSAMJEBER-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM CCN(Cc1ccoc1)C(=O)c1cc(Br)cc(F)c1[O-] ZINC001136562036 1137053124 /nfs/dbraw/zinc/05/31/24/1137053124.db2.gz FJBGBTBNTTZCSA-UHFFFAOYSA-N -1 0 342.164 3.549 20 0 EHADRM Cc1cc(C(F)(F)C(=O)[N-][C@@H](C(C)C)C(F)(F)F)cnc1Cl ZINC000822769765 1137074827 /nfs/dbraw/zinc/07/48/27/1137074827.db2.gz QLZGRZWWHSNVLQ-VIFPVBQESA-N -1 0 344.711 3.838 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N[C@@](C)(CC(=O)[O-])C(C)C ZINC000823341320 1137095711 /nfs/dbraw/zinc/09/57/11/1137095711.db2.gz ANMIDEAQMJMYOD-SFHVURJKSA-N -1 0 349.452 3.915 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N[C@](C)(CC(=O)[O-])C(C)C ZINC000823341319 1137095780 /nfs/dbraw/zinc/09/57/80/1137095780.db2.gz ANMIDEAQMJMYOD-GOSISDBHSA-N -1 0 349.452 3.915 20 0 EHADRM O=C(O[C@H]1CCC=CCCC1)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC000861229007 1137097745 /nfs/dbraw/zinc/09/77/45/1137097745.db2.gz CCZRUAOFFHLIGB-NSHDSACASA-N -1 0 345.317 3.504 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)c1c[n-]ncc1=O)[C@@H]1CCC[C@@H](C)C1 ZINC001136731810 1137103970 /nfs/dbraw/zinc/10/39/70/1137103970.db2.gz HRQIQPUBASKSBW-ZXYWRSMDSA-N -1 0 339.439 3.788 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)N3CCCC4(CC4)CC3)c([O-])c2)o1 ZINC000825064861 1137164045 /nfs/dbraw/zinc/16/40/45/1137164045.db2.gz MILQTZXTAHOUEJ-UHFFFAOYSA-N -1 0 339.391 3.871 20 0 EHADRM O=C([N-]OCCCC(F)(F)F)C1=C(c2ccccc2)SCCO1 ZINC000825361916 1137174710 /nfs/dbraw/zinc/17/47/10/1137174710.db2.gz XHNRFWLHDQAKRR-UHFFFAOYSA-N -1 0 347.358 3.509 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)Nc2cc(C(C)C)on2)n1 ZINC001137047073 1137181022 /nfs/dbraw/zinc/18/10/22/1137181022.db2.gz CDLNPUOUMGYWAB-UHFFFAOYSA-N -1 0 340.383 3.504 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc([O-])c(Cl)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000173524480 1137197948 /nfs/dbraw/zinc/19/79/48/1137197948.db2.gz LXITYZROAPBYCZ-GTNSWQLSSA-N -1 0 349.789 3.787 20 0 EHADRM O=C([O-])CCCC(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC000844245205 1137204919 /nfs/dbraw/zinc/20/49/19/1137204919.db2.gz CNAUYWGPLSDBDE-KRWDZBQOSA-N -1 0 345.826 3.995 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000864098580 1137214667 /nfs/dbraw/zinc/21/46/67/1137214667.db2.gz NUGQXRDEQOHUJR-GOSISDBHSA-N -1 0 346.452 3.614 20 0 EHADRM COc1ccc(CN(C(=O)c2ccc(C)c(C(=O)[O-])c2)C2CC2)cc1 ZINC000864100960 1137215104 /nfs/dbraw/zinc/21/51/04/1137215104.db2.gz CEUQKNQOBBLHET-UHFFFAOYSA-N -1 0 339.391 3.507 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1C ZINC000864105646 1137215368 /nfs/dbraw/zinc/21/53/68/1137215368.db2.gz KHVCZKHVRGJLBO-PXAMLJHWSA-N -1 0 339.391 3.972 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)Cc1cc(Cl)cc2ccccc21 ZINC000864119235 1137216073 /nfs/dbraw/zinc/21/60/73/1137216073.db2.gz YFSVYZUVRZDUDS-GOSISDBHSA-N -1 0 333.815 3.795 20 0 EHADRM CC(C)(CC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccc(F)cc1 ZINC000864132301 1137216668 /nfs/dbraw/zinc/21/66/68/1137216668.db2.gz PBSBNISCDWNFET-HNNXBMFYSA-N -1 0 349.446 3.843 20 0 EHADRM Cc1cc(C)cc([C@@H]2CCN(C(=O)/C=C\c3ccc(C(=O)[O-])o3)C2)c1 ZINC000864137494 1137216905 /nfs/dbraw/zinc/21/69/05/1137216905.db2.gz ZIPYTFFPTKHAOZ-ZDTYVGOBSA-N -1 0 339.391 3.624 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)/C=C/c2cc(C(=O)[O-])co2)C1 ZINC000864138194 1137216961 /nfs/dbraw/zinc/21/69/61/1137216961.db2.gz YMQTUJSGYIQVPH-GLNQTNNCSA-N -1 0 343.354 3.740 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)/C=C\c1csc(C(F)(F)F)c1 ZINC000864141969 1137216982 /nfs/dbraw/zinc/21/69/82/1137216982.db2.gz UJXYZTKZEDOSHP-WSNITJDQSA-N -1 0 349.374 3.786 20 0 EHADRM CSCCCCCCC(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000864149768 1137217100 /nfs/dbraw/zinc/21/71/00/1137217100.db2.gz NYHATWDNBOERFD-IBGZPJMESA-N -1 0 349.496 3.555 20 0 EHADRM COc1cc(C)cc(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c1C ZINC000864148826 1137217210 /nfs/dbraw/zinc/21/72/10/1137217210.db2.gz KHEUFHKVIKUFJE-LBPRGKRZSA-N -1 0 327.380 3.752 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)/C=C/c1csc(C(F)(F)F)c1 ZINC000864155259 1137217416 /nfs/dbraw/zinc/21/74/16/1137217416.db2.gz KAQAVMZSGCWJPJ-IMXYWRDFSA-N -1 0 347.358 3.540 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC000864165120 1137217677 /nfs/dbraw/zinc/21/76/77/1137217677.db2.gz UBSHAAYBKWRSRV-CQSZACIVSA-N -1 0 331.437 3.648 20 0 EHADRM CC[C@@H](c1ccccc1OC)N(C)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000864176952 1137217895 /nfs/dbraw/zinc/21/78/95/1137217895.db2.gz AHUZGEOQYZDKMD-WQTVUKCASA-N -1 0 343.379 3.609 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000864188041 1137218435 /nfs/dbraw/zinc/21/84/35/1137218435.db2.gz BZLPNNAYESZZOW-XETPZZHUSA-N -1 0 341.407 3.765 20 0 EHADRM Cc1c[nH]c(-c2ccc(NC(=O)c3cccc(Cl)c3[O-])cc2)n1 ZINC001143956894 1137218524 /nfs/dbraw/zinc/21/85/24/1137218524.db2.gz BSEAGPXWDZRCQZ-UHFFFAOYSA-N -1 0 327.771 3.996 20 0 EHADRM CC1(C)[C@H](c2ccccc2F)CCN1C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000864217081 1137219179 /nfs/dbraw/zinc/21/91/79/1137219179.db2.gz MIPNVPQJTZQEOD-LZWOXQAQSA-N -1 0 347.430 3.811 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)C[C@]23CCCC[C@H]2C3(F)F)c2ccccc21 ZINC000864226637 1137219340 /nfs/dbraw/zinc/21/93/40/1137219340.db2.gz MFXBTZCZHNZKJP-CDHAZOANSA-N -1 0 349.377 3.807 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)c2cnc(C(C)C)s2)c1 ZINC000864229861 1137219371 /nfs/dbraw/zinc/21/93/71/1137219371.db2.gz NWZSJBWNLKOZBN-ZDUSSCGKSA-N -1 0 332.425 3.521 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)C2CC3(C2)CCCCC3)c2ccccc21 ZINC000864227065 1137219400 /nfs/dbraw/zinc/21/94/00/1137219400.db2.gz URIXUZBQNQPFSN-CQSZACIVSA-N -1 0 327.424 3.952 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)C[C@H](C)c2cccc(F)c2)c1 ZINC000864230441 1137219512 /nfs/dbraw/zinc/21/95/12/1137219512.db2.gz XOOSKPUYXKIRSV-KSSFIOAISA-N -1 0 343.398 3.960 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)CCCc2ccc(F)cc2)c1 ZINC000864231134 1137219544 /nfs/dbraw/zinc/21/95/44/1137219544.db2.gz FRTMGCWFPWCHRL-GOSISDBHSA-N -1 0 343.398 3.789 20 0 EHADRM Cc1sc(C)c2c1[n-]c(CC(=O)Nc1cccc(C)c1C)nc2=O ZINC000864355620 1137223098 /nfs/dbraw/zinc/22/30/98/1137223098.db2.gz NPPKXRIVMXKANA-UHFFFAOYSA-N -1 0 341.436 3.812 20 0 EHADRM Cc1nc(C2CCN(c3nccc4occc43)CC2)sc1C(=O)[O-] ZINC000864514860 1137231384 /nfs/dbraw/zinc/23/13/84/1137231384.db2.gz CEVALVFQLKMNLF-UHFFFAOYSA-N -1 0 343.408 3.675 20 0 EHADRM CC(C)OC[C@H](NCc1ccc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000864516884 1137231704 /nfs/dbraw/zinc/23/17/04/1137231704.db2.gz PYYWHKSXQSJFAK-HNNXBMFYSA-N -1 0 337.803 3.568 20 0 EHADRM C/C(=C/c1ccc(-c2cc(F)ccc2OC[C@H]2CCOC2)o1)C(=O)[O-] ZINC000864608489 1137236431 /nfs/dbraw/zinc/23/64/31/1137236431.db2.gz JOVWHSLLDNZKLP-FSBNRTBOSA-N -1 0 346.354 3.989 20 0 EHADRM C[C@H](CC(=O)Nc1nc(Br)ccc1O)c1ccccc1 ZINC001144415653 1137288097 /nfs/dbraw/zinc/28/80/97/1137288097.db2.gz UNYZPDSNLGYQNA-SNVBAGLBSA-N -1 0 335.201 3.682 20 0 EHADRM COC(C)(C)c1nsc([N-]c2cnn(CC(C)C)c2C(F)F)n1 ZINC000865648156 1137301763 /nfs/dbraw/zinc/30/17/63/1137301763.db2.gz VOQBLAGELKMYEK-UHFFFAOYSA-N -1 0 345.419 3.953 20 0 EHADRM O=C(NCCC[C@@H]1CC1(Cl)Cl)c1cc(F)c(F)c([O-])c1F ZINC000846589005 1137357957 /nfs/dbraw/zinc/35/79/57/1137357957.db2.gz VOAWMNFRWDFXFL-ZCFIWIBFSA-N -1 0 342.144 3.513 20 0 EHADRM C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000121111007 1137361314 /nfs/dbraw/zinc/36/13/14/1137361314.db2.gz JKOBUFLOGJYPBI-BBATYDOGSA-N -1 0 342.420 3.610 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(SC(C)(C)C)c(F)c1)C(=O)[O-] ZINC000846799074 1137368038 /nfs/dbraw/zinc/36/80/38/1137368038.db2.gz WDJLKMGCFONDTG-VIFPVBQESA-N -1 0 328.409 3.559 20 0 EHADRM CCCN(C(=O)c1cc(F)cc(F)c1[O-])[C@@H]1C[C@@H](OCC)C1(C)C ZINC001147227714 1137403115 /nfs/dbraw/zinc/40/31/15/1137403115.db2.gz VDTZFYMXSNNXFG-HUUCEWRRSA-N -1 0 341.398 3.726 20 0 EHADRM CC[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1)c1ccccc1 ZINC000103634680 1137424144 /nfs/dbraw/zinc/42/41/44/1137424144.db2.gz NTXITRZOMARIKG-INIZCTEOSA-N -1 0 345.464 3.692 20 0 EHADRM O=C(Nc1cccc2nccnc21)c1cc(Cl)cc(Cl)c1[O-] ZINC001148815694 1137435856 /nfs/dbraw/zinc/43/58/56/1137435856.db2.gz VTGKROBPECQLJU-UHFFFAOYSA-N -1 0 334.162 3.895 20 0 EHADRM CCc1oc(C(=O)N[C@@H](C)c2ccc(Cl)s2)cc1C(=O)[O-] ZINC000339088497 1137437171 /nfs/dbraw/zinc/43/71/71/1137437171.db2.gz QZSQIGSHMRMZSG-ZETCQYMHSA-N -1 0 327.789 3.746 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)CCCSC(C)(C)C ZINC000773315309 1137489392 /nfs/dbraw/zinc/48/93/92/1137489392.db2.gz JSRVPHZTADVVQS-UHFFFAOYSA-N -1 0 348.472 3.736 20 0 EHADRM Cc1oc(-c2ccsc2)nc1CC(=O)[N-]OCCCC(F)(F)F ZINC000871210945 1137527257 /nfs/dbraw/zinc/52/72/57/1137527257.db2.gz HWHWDMDBNAXSCT-UHFFFAOYSA-N -1 0 348.346 3.644 20 0 EHADRM Cc1ccc(NC(=S)[N-]c2ccccc2SCC(N)=O)cc1F ZINC000018943140 1137540683 /nfs/dbraw/zinc/54/06/83/1137540683.db2.gz CGCRVDMXGLNKRN-UHFFFAOYSA-N -1 0 349.456 3.520 20 0 EHADRM O=c1cc(CCc2ccccc2)[n-]n1[C@H]1CCOC2(CCCC2)C1 ZINC000871963267 1137563870 /nfs/dbraw/zinc/56/38/70/1137563870.db2.gz FUPOSOIOTYMNKJ-SFHVURJKSA-N -1 0 326.440 3.699 20 0 EHADRM CC(C)c1ccc(S(=O)(=O)[N-]c2cncc(C(F)F)c2)cc1 ZINC000872009887 1137564437 /nfs/dbraw/zinc/56/44/37/1137564437.db2.gz ALBFOHPUOASZIK-UHFFFAOYSA-N -1 0 326.368 3.943 20 0 EHADRM C[C@]1(Cc2ccc(F)c(F)c2)CCC[N@@H+]1Cc1cc(C(=O)[O-])co1 ZINC000872163190 1137574787 /nfs/dbraw/zinc/57/47/87/1137574787.db2.gz ZJUGNRXGMJFEPY-GOSISDBHSA-N -1 0 335.350 3.853 20 0 EHADRM CCc1noc(C)c1[N-]S(=O)(=O)c1ccc2c3c(cccc31)CC2 ZINC000872358028 1137578929 /nfs/dbraw/zinc/57/89/29/1137578929.db2.gz OEGPIVFVOQHJOW-UHFFFAOYSA-N -1 0 342.420 3.598 20 0 EHADRM Cc1ncc(S(=O)(=O)[N-]c2cccc(F)c2C(C)(F)F)s1 ZINC000872405084 1137579411 /nfs/dbraw/zinc/57/94/11/1137579411.db2.gz IOZXQEVNPNADAF-UHFFFAOYSA-N -1 0 336.360 3.503 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)c2ccc(-c3cccc(F)c3)s2)CC1 ZINC000872718009 1137583181 /nfs/dbraw/zinc/58/31/81/1137583181.db2.gz DTXIJUFJHGKIPZ-UHFFFAOYSA-N -1 0 347.411 3.881 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)[C@@H]1C[C@H]1c1cccc3ccccc31)CC2 ZINC000872767145 1137584062 /nfs/dbraw/zinc/58/40/62/1137584062.db2.gz MSOPEWNSSHWFEI-JYLXEMOASA-N -1 0 349.430 3.799 20 0 EHADRM C[C@@H](S[C@H](C)C(=O)Nc1cccc(SC(F)F)c1)C(=O)[O-] ZINC000872844513 1137585498 /nfs/dbraw/zinc/58/54/98/1137585498.db2.gz UTLFQKHBOMYCJS-HTQZYQBOSA-N -1 0 335.397 3.535 20 0 EHADRM COc1cc(C)c(C)cc1NC(=O)c1c(C)ccc(C)c1C(=O)[O-] ZINC000872878842 1137585998 /nfs/dbraw/zinc/58/59/98/1137585998.db2.gz XULWFIOWIVGBRG-UHFFFAOYSA-N -1 0 327.380 3.879 20 0 EHADRM O=C([O-])C1(CC(=O)N2CCC[C@H]2c2ccccc2)Cc2ccccc2C1 ZINC000872889619 1137586088 /nfs/dbraw/zinc/58/60/88/1137586088.db2.gz AGEGETDFRQLTFJ-IBGZPJMESA-N -1 0 349.430 3.610 20 0 EHADRM CC[C@H](NC(=O)C[C@H](C(=O)[O-])c1ccccc1)c1ccccc1OC ZINC000872896716 1137586149 /nfs/dbraw/zinc/58/61/49/1137586149.db2.gz SZIVNOIKGWHOMB-IRXDYDNUSA-N -1 0 341.407 3.521 20 0 EHADRM O=C([O-])C1=C(C(=O)Nc2ccccc2OC2CCCC2)CCCC1 ZINC000872907017 1137586349 /nfs/dbraw/zinc/58/63/49/1137586349.db2.gz IHBUJVHRZINLKK-UHFFFAOYSA-N -1 0 329.396 3.902 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)N1CCCC[C@@H]1CCc1ccccc1 ZINC000872958722 1137586967 /nfs/dbraw/zinc/58/69/67/1137586967.db2.gz CXZLUGLPIQXRAY-MRXNPFEDSA-N -1 0 349.496 3.597 20 0 EHADRM Cc1cccc(C)c1[C@H]1CCCN1C(=O)C(C)(C)SCC(=O)[O-] ZINC000872980946 1137587411 /nfs/dbraw/zinc/58/74/11/1137587411.db2.gz MNSNJDBJJROSJT-CQSZACIVSA-N -1 0 335.469 3.563 20 0 EHADRM O=C([O-])[C@@H]1CCN(Cc2c(Cl)cncc2Cl)c2ccccc21 ZINC000873642109 1137605640 /nfs/dbraw/zinc/60/56/40/1137605640.db2.gz NDHSOAAYDUSZFB-LLVKDONJSA-N -1 0 337.206 3.967 20 0 EHADRM COc1cc(C=O)cc(-c2ccc(C(=O)[O-])cc2F)c1OC(F)F ZINC000874970635 1137627286 /nfs/dbraw/zinc/62/72/86/1137627286.db2.gz UMTPCFANTQSJLS-UHFFFAOYSA-N -1 0 340.253 3.613 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3)cc2)o1 ZINC000874971447 1137627365 /nfs/dbraw/zinc/62/73/65/1137627365.db2.gz HKAKIKPBHXBUQI-UHFFFAOYSA-N -1 0 335.315 3.710 20 0 EHADRM Cc1noc(C2CC2)c1[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000126809934 1137697240 /nfs/dbraw/zinc/69/72/40/1137697240.db2.gz RHKVWKVALDLDKA-UHFFFAOYSA-N -1 0 330.409 3.589 20 0 EHADRM Cc1ccc(NC(=O)COC(=O)c2cc3ccsc3[nH]2)cc1Cl ZINC000023345607 1137748778 /nfs/dbraw/zinc/74/87/78/1137748778.db2.gz JQUIAPAAXFKVMC-UHFFFAOYSA-N -1 0 348.811 3.987 20 0 EHADRM O=C([N-]Oc1ccccc1F)C1(c2cccnc2)CC2(CCC2)C1 ZINC000881467314 1137808154 /nfs/dbraw/zinc/80/81/54/1137808154.db2.gz WYRHQHWHUHUSHF-UHFFFAOYSA-N -1 0 326.371 3.533 20 0 EHADRM COc1cccc(O)c1C(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC001137184131 1137844201 /nfs/dbraw/zinc/84/42/01/1137844201.db2.gz UHUBDLNTUZKORZ-AWEZNQCLSA-N -1 0 348.402 3.954 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)c(C)c1 ZINC000107972008 1137888376 /nfs/dbraw/zinc/88/83/76/1137888376.db2.gz XUTHDYOBNCKZQP-IZHWHUGBSA-N -1 0 347.455 3.770 20 0 EHADRM O=S(=O)(/C=C\c1ccccc1F)[N-]c1nc2ccsc2s1 ZINC000800038670 1137895302 /nfs/dbraw/zinc/89/53/02/1137895302.db2.gz YJAHBBBQMVAVOE-VURMDHGXSA-N -1 0 340.426 3.910 20 0 EHADRM Cc1cc([C@H](C)NC(=O)N=c2[n-]nc(CC(C)C)s2)c(C)s1 ZINC000348288772 1137902493 /nfs/dbraw/zinc/90/24/93/1137902493.db2.gz RGRWQJAIVMLZSC-JTQLQIEISA-N -1 0 338.502 3.720 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2C[C@H](C)C[C@H]2c2ccccc2F)s1 ZINC000331469965 1137909591 /nfs/dbraw/zinc/90/95/91/1137909591.db2.gz CNTFXLSQQXEZNT-RISCZKNCSA-N -1 0 348.447 3.667 20 0 EHADRM CCc1ccc([C@H]2CCCN2C(=O)N=c2[n-]nc(CC(C)C)s2)o1 ZINC000331534601 1137911756 /nfs/dbraw/zinc/91/17/56/1137911756.db2.gz HJJVYGTXFIJZGM-CYBMUJFWSA-N -1 0 348.472 3.683 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2C[C@H](C)C[C@@H]2c2cccc(F)c2)s1 ZINC000331566071 1137912854 /nfs/dbraw/zinc/91/28/54/1137912854.db2.gz QGMSIWYIKRODBY-BXUZGUMPSA-N -1 0 348.447 3.667 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2nc3c(s2)CCCC3)s1 ZINC000331822891 1137922043 /nfs/dbraw/zinc/92/20/43/1137922043.db2.gz ZOXJZXWUSQFIMD-UHFFFAOYSA-N -1 0 328.484 3.501 20 0 EHADRM CC[C@H]1CCCN1C(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000332152082 1137933580 /nfs/dbraw/zinc/93/35/80/1137933580.db2.gz HKHQITSBMCJLHC-JTQLQIEISA-N -1 0 336.848 3.687 20 0 EHADRM COC(=O)c1cccc(Cl)c1Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203328626 1137949418 /nfs/dbraw/zinc/94/94/18/1137949418.db2.gz XZXNWOGJCKVVRB-UHFFFAOYSA-N -1 0 341.697 3.847 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)C2CCCCCC2)c(Cl)cc1F ZINC000135423948 1137968984 /nfs/dbraw/zinc/96/89/84/1137968984.db2.gz SEIKTSSXVDIHTQ-UHFFFAOYSA-N -1 0 347.839 3.563 20 0 EHADRM C[C@@H](CCc1cccn1C)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000074055705 1138117848 /nfs/dbraw/zinc/11/78/48/1138117848.db2.gz NFIACPOLUSASHN-NSHDSACASA-N -1 0 329.425 3.580 20 0 EHADRM O=C([O-])c1ccc(F)c(Oc2cc(Cl)nc([C@@H]3CCCO3)n2)c1 ZINC000886917575 1138172402 /nfs/dbraw/zinc/17/24/02/1138172402.db2.gz FBEDCOAOFCSJDN-JTQLQIEISA-N -1 0 338.722 3.611 20 0 EHADRM CCCCO[C@H]1C[C@@H](N(C)C(=O)c2cc(F)cc(F)c2[O-])C1(C)C ZINC001137234594 1138185323 /nfs/dbraw/zinc/18/53/23/1138185323.db2.gz NXXANKCHCHGWOW-CABCVRRESA-N -1 0 341.398 3.726 20 0 EHADRM Cc1ccc(C[C@H]2CCCN2C(=O)c2s[n-]c(=O)c2Cl)cc1 ZINC000282975360 1138240317 /nfs/dbraw/zinc/24/03/17/1138240317.db2.gz GOJDCWHJZGBCEX-GFCCVEGCSA-N -1 0 336.844 3.658 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000887297227 1138258294 /nfs/dbraw/zinc/25/82/94/1138258294.db2.gz XDFUTUFPGDXWJK-VQSQSKOLSA-N -1 0 337.828 3.523 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)CCC2 ZINC000826560585 1138259398 /nfs/dbraw/zinc/25/93/98/1138259398.db2.gz UIOFWHRWMVHZMH-RYRKJORJSA-N -1 0 329.440 3.805 20 0 EHADRM CC[C@H](c1n[n-]c(=NC(=O)N2CCC23CCC3)s1)c1ccccc1 ZINC000333362187 1138281418 /nfs/dbraw/zinc/28/14/18/1138281418.db2.gz UOCQZLUUCISSAE-AWEZNQCLSA-N -1 0 342.468 3.662 20 0 EHADRM C[C@H](NCc1cccc(O)c1Br)c1cncc(F)c1 ZINC001202759288 1138315379 /nfs/dbraw/zinc/31/53/79/1138315379.db2.gz BIEQWHQAJSDIEG-VIFPVBQESA-N -1 0 325.181 3.540 20 0 EHADRM c1csc(N2CCC(N=c3nc(C4CCCCC4)[n-]s3)CC2)n1 ZINC000333886522 1138343522 /nfs/dbraw/zinc/34/35/22/1138343522.db2.gz WAHGKQSJNMRZHT-UHFFFAOYSA-N -1 0 349.529 3.545 20 0 EHADRM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cncc(C)c3)c2)n1 ZINC000337132723 1138474807 /nfs/dbraw/zinc/47/48/07/1138474807.db2.gz KLOQNUWHAGGWST-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM CCCc1nc(C)c([N-]S(=O)(=O)c2cccc(SC)c2)s1 ZINC000337853337 1138682710 /nfs/dbraw/zinc/68/27/10/1138682710.db2.gz KCNZWLPNDJQNGD-UHFFFAOYSA-N -1 0 342.511 3.927 20 0 EHADRM CC[C@@H](C)c1ncc([N-]S(=O)(=O)c2cccc(SC)c2)cn1 ZINC000337870131 1138686564 /nfs/dbraw/zinc/68/65/64/1138686564.db2.gz QPPRYTVIQZENAK-LLVKDONJSA-N -1 0 337.470 3.513 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)N3CCCC[C@@H]3CC(C)C)cc2=O)cc1 ZINC000138377638 1138895163 /nfs/dbraw/zinc/89/51/63/1138895163.db2.gz VTNDDHMGZOGQBS-QGZVFWFLSA-N -1 0 341.455 3.515 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)c1cc(F)c([O-])c(F)c1)C(C)(C)C ZINC000889888822 1139281731 /nfs/dbraw/zinc/28/17/31/1139281731.db2.gz CRBKVWGIABZTNJ-INIZCTEOSA-N -1 0 334.366 3.891 20 0 EHADRM O=S(=O)([N-]c1ccc(OC2CCC2)c(F)c1)c1cccs1 ZINC000175039948 1139459239 /nfs/dbraw/zinc/45/92/39/1139459239.db2.gz OKEIACWZFUSLNA-UHFFFAOYSA-N -1 0 327.402 3.619 20 0 EHADRM CC(C)c1cnc(NC(=O)CSc2n[n-]c(=S)s2)s1 ZINC000176458202 1139557981 /nfs/dbraw/zinc/55/79/81/1139557981.db2.gz GEBXSDDFVNYBSK-UHFFFAOYSA-N -1 0 332.501 3.511 20 0 EHADRM CC(C)[C@H](CNC(=O)c1ccc2[n-]c(=S)oc2c1)c1cccnc1 ZINC000176602973 1139568291 /nfs/dbraw/zinc/56/82/91/1139568291.db2.gz CVBSWVANRQSRIS-AWEZNQCLSA-N -1 0 341.436 3.681 20 0 EHADRM COc1cccc([C@H]2CCCN2C(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000177002754 1139592595 /nfs/dbraw/zinc/59/25/95/1139592595.db2.gz DFNOBHGRXXYCNJ-MRXNPFEDSA-N -1 0 333.334 3.656 20 0 EHADRM COc1ccc([C@H](NC(=O)c2cc(F)c([O-])c(F)c2)C2CC2)cc1 ZINC000177033474 1139593438 /nfs/dbraw/zinc/59/34/38/1139593438.db2.gz OHPYAJMJCFETHQ-MRXNPFEDSA-N -1 0 333.334 3.560 20 0 EHADRM CSc1nc(C2CC2)nc(C)c1C(=O)Nc1cccc(Cl)c1[O-] ZINC000179724044 1139778361 /nfs/dbraw/zinc/77/83/61/1139778361.db2.gz XIVIZWZEGUMAAF-UHFFFAOYSA-N -1 0 349.843 3.996 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)/C=C/C2CCCCC2)c1Cl ZINC000777352290 1139800106 /nfs/dbraw/zinc/80/01/06/1139800106.db2.gz YRXHBEKQDZIFIX-ZHACJKMWSA-N -1 0 341.860 3.590 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C1 ZINC000180017061 1139802350 /nfs/dbraw/zinc/80/23/50/1139802350.db2.gz PDYVGDZPNDMVAK-WCXIOVBPSA-N -1 0 329.440 3.590 20 0 EHADRM Cn1cccc1[C@@H]1CCCCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000180110670 1139810049 /nfs/dbraw/zinc/81/00/49/1139810049.db2.gz UYRYSZBPPSGPSX-ZDUSSCGKSA-N -1 0 338.329 3.515 20 0 EHADRM CC1(C)CO[C@H](c2ccccc2Cl)CN1CCCCC(=O)[O-] ZINC000181562821 1139915651 /nfs/dbraw/zinc/91/56/51/1139915651.db2.gz URWDQRZLEHYWTL-HNNXBMFYSA-N -1 0 325.836 3.747 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)/C(=C\c1ccc(F)cc1)c1cccs1 ZINC000777377440 1139934148 /nfs/dbraw/zinc/93/41/48/1139934148.db2.gz WLLSYCRFFQAWBX-QJMZJAKPSA-N -1 0 347.411 3.797 20 0 EHADRM Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184523047 1140107309 /nfs/dbraw/zinc/10/73/09/1140107309.db2.gz BKLIWCKGVGPSEW-ZDUSSCGKSA-N -1 0 337.782 3.502 20 0 EHADRM C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000185469748 1140151026 /nfs/dbraw/zinc/15/10/26/1140151026.db2.gz VPGYUGQMYORGFX-ONGXEEELSA-N -1 0 348.226 3.612 20 0 EHADRM CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1c([O-])cccc1F ZINC000185591032 1140157461 /nfs/dbraw/zinc/15/74/61/1140157461.db2.gz AUISHHCXINNWQX-UHFFFAOYSA-N -1 0 345.370 3.668 20 0 EHADRM C[C@@H](NC(=O)CC(C)(C)C)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000187451768 1140256203 /nfs/dbraw/zinc/25/62/03/1140256203.db2.gz RAWNCJPHYNIKSO-MRVPVSSYSA-N -1 0 347.242 3.578 20 0 EHADRM Cc1occc1S([O-])=CC(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000189626383 1140355502 /nfs/dbraw/zinc/35/55/02/1140355502.db2.gz RVQHPNPUFBVBQU-MWTRTKDXSA-N -1 0 333.453 3.599 20 0 EHADRM CCC(CC)n1ncc(C(=O)Nc2cc(C(=O)[O-])ccc2C)c1C ZINC000190872386 1140422435 /nfs/dbraw/zinc/42/24/35/1140422435.db2.gz ZPWBFGXXUZZVRZ-UHFFFAOYSA-N -1 0 329.400 3.812 20 0 EHADRM Cc1cc(=O)[nH]c([C@H](C)N[C@@H](C)c2ccc(-c3cccnc3)cc2)n1 ZINC000192762071 1140549127 /nfs/dbraw/zinc/54/91/27/1140549127.db2.gz DLNPJBHBNBXEJF-GJZGRUSLSA-N -1 0 334.423 3.964 20 0 EHADRM C[C@H](CC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccccc1C(F)(F)F ZINC000194447785 1140609503 /nfs/dbraw/zinc/60/95/03/1140609503.db2.gz JEPAIOFVQBCLOX-GRYCIOLGSA-N -1 0 343.345 3.569 20 0 EHADRM O=S(=O)([N-]c1nnc(C2CCCCC2)o1)c1cccc(Cl)c1 ZINC000194784360 1140621966 /nfs/dbraw/zinc/62/19/66/1140621966.db2.gz DGZUNYVEOQBDCU-UHFFFAOYSA-N -1 0 341.820 3.572 20 0 EHADRM Cc1ccc(CC(C)(C)NS(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000096743613 1140786594 /nfs/dbraw/zinc/78/65/94/1140786594.db2.gz JYONXHXEKZSBHA-UHFFFAOYSA-N -1 0 339.407 3.573 20 0 EHADRM O=C(CC[C@H]1CCOC1)Nc1cc(Br)cc(Cl)c1[O-] ZINC000270650011 1141250136 /nfs/dbraw/zinc/25/01/36/1141250136.db2.gz LOPNWPUAAZOCGY-QMMMGPOBSA-N -1 0 348.624 3.563 20 0 EHADRM CN(C(=O)Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1)C1CCCC1 ZINC000283125056 1141556981 /nfs/dbraw/zinc/55/69/81/1141556981.db2.gz ZJRAMTGQFHELFT-UHFFFAOYSA-N -1 0 330.306 3.810 20 0 EHADRM CCc1oc2ccccc2c1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[nH]1 ZINC000349106365 1141640176 /nfs/dbraw/zinc/64/01/76/1141640176.db2.gz IGHOMKPOIYOXAN-CMDGGOBGSA-N -1 0 338.363 3.597 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1F ZINC000055678500 214337415 /nfs/dbraw/zinc/33/74/15/214337415.db2.gz UYFLTAOJDBXFBU-UHFFFAOYSA-N -1 0 335.809 3.740 20 0 EHADRM COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccccc1F ZINC000003581581 210058567 /nfs/dbraw/zinc/05/85/67/210058567.db2.gz DRFPVQQVRGFJSG-UHFFFAOYSA-N -1 0 337.416 3.933 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1cccc(Br)c1 ZINC000013432457 211557879 /nfs/dbraw/zinc/55/78/79/211557879.db2.gz HTMLDRWEEJLMEZ-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM COc1nc(N[C@@H](C)c2cccc(N3CCCC3)c2)ccc1C(=O)[O-] ZINC000518985039 478202454 /nfs/dbraw/zinc/20/24/54/478202454.db2.gz MBBAYAIOHABZCZ-ZDUSSCGKSA-N -1 0 341.411 3.562 20 0 EHADRM Cc1nc(C)c(S(=O)(=O)[N-]c2cccc(C(C)(F)F)c2)s1 ZINC000188556932 526739025 /nfs/dbraw/zinc/73/90/25/526739025.db2.gz NCHIAADJHJCLPQ-UHFFFAOYSA-N -1 0 332.397 3.672 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)C(c2ccccc2)c2ccccc2)C1 ZINC000533189356 597101591 /nfs/dbraw/zinc/10/15/91/597101591.db2.gz PZGNDZGUHLEBDY-INIZCTEOSA-N -1 0 337.419 3.532 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)CCc2ccc(Cl)c(Cl)c2)C1 ZINC000533190223 597102010 /nfs/dbraw/zinc/10/20/10/597102010.db2.gz UPWLRMOEILKTNT-GFCCVEGCSA-N -1 0 344.238 3.639 20 0 EHADRM Cc1cn2nc(NCc3c4ccccc4sc3C(=O)[O-])sc2n1 ZINC000738798877 599874829 /nfs/dbraw/zinc/87/48/29/599874829.db2.gz RAVGGVQAFCDTHZ-UHFFFAOYSA-N -1 0 344.421 3.624 20 0 EHADRM CC(C)c1noc(-c2ccnc(NCc3ccc(C(=O)[O-])cc3)c2)n1 ZINC000817990738 597140561 /nfs/dbraw/zinc/14/05/61/597140561.db2.gz ZEGIAZOFYSTARO-UHFFFAOYSA-N -1 0 338.367 3.565 20 0 EHADRM Cc1ccc(SCCNC(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000738295676 597194324 /nfs/dbraw/zinc/19/43/24/597194324.db2.gz NREKFGLQZASKLU-UHFFFAOYSA-N -1 0 344.436 3.536 20 0 EHADRM C[C@H](c1cc2ccccc2o1)N(C)C(=O)NCCCCCC(=O)[O-] ZINC000414626844 597235636 /nfs/dbraw/zinc/23/56/36/597235636.db2.gz MMNUWBMCJUBGSC-CYBMUJFWSA-N -1 0 332.400 3.780 20 0 EHADRM C[C@H](c1ncc(C(C)(C)C)o1)[S@@](=O)Cc1ccc(C(=O)[O-])cc1 ZINC000818075838 597287456 /nfs/dbraw/zinc/28/74/56/597287456.db2.gz OYNNVWFZLCCYRQ-BGJPBQGDSA-N -1 0 335.425 3.680 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)NCCCc1ccc(Cl)cc1 ZINC000819617748 597337461 /nfs/dbraw/zinc/33/74/61/597337461.db2.gz APSKEKYGXQPKRD-UHFFFAOYSA-N -1 0 346.814 3.721 20 0 EHADRM CC(C)[C@H](NC(=O)Nc1ccccc1CC(=O)[O-])c1ccccc1 ZINC000817853550 597338196 /nfs/dbraw/zinc/33/81/96/597338196.db2.gz WIZJDCRRSAFYCH-SFHVURJKSA-N -1 0 326.396 3.833 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)Nc2ccccc2CC(=O)[O-])c1C ZINC000818939250 597342081 /nfs/dbraw/zinc/34/20/81/597342081.db2.gz GNGJUNYSMSUWBS-CQSZACIVSA-N -1 0 326.396 3.813 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000818879235 597342386 /nfs/dbraw/zinc/34/23/86/597342386.db2.gz QLYOBUYSLKVUDY-AWEZNQCLSA-N -1 0 326.396 3.847 20 0 EHADRM C[C@@H](C(=O)[O-])N(C)C(=S)Nc1ccccc1Oc1ccccc1 ZINC000817768910 597479104 /nfs/dbraw/zinc/47/91/04/597479104.db2.gz NVYYLNXVBUVZPR-LBPRGKRZSA-N -1 0 330.409 3.581 20 0 EHADRM Cc1c(Cl)cc(F)c(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1F ZINC000561181384 597486973 /nfs/dbraw/zinc/48/69/73/597486973.db2.gz JZOWIHSKPSESQG-VIFPVBQESA-N -1 0 346.761 3.645 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(CSc3ccccc3)cc2)C1 ZINC000261773100 597495588 /nfs/dbraw/zinc/49/55/88/597495588.db2.gz IWWHPUZNPJPBPZ-MRXNPFEDSA-N -1 0 341.432 3.526 20 0 EHADRM CCN(C(=O)NCCCCC(=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000666558061 598167715 /nfs/dbraw/zinc/16/77/15/598167715.db2.gz HPXSJKWXJLPLSN-CYBMUJFWSA-N -1 0 332.400 3.780 20 0 EHADRM CCN(C(=O)Nc1ccccc1C(=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC000820332707 598176876 /nfs/dbraw/zinc/17/68/76/598176876.db2.gz DZCCWHQDCLHAJX-LBPRGKRZSA-N -1 0 328.368 3.705 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)[C@@H]1CCc2c1cccc2Cl ZINC000821539033 598183678 /nfs/dbraw/zinc/18/36/78/598183678.db2.gz DEEVFIWXTSONAW-CQSZACIVSA-N -1 0 329.783 3.636 20 0 EHADRM C[C@H](C(=O)[O-])N(C)C(=O)c1csc(-c2cccc3ccccc32)n1 ZINC000819889172 598202127 /nfs/dbraw/zinc/20/21/27/598202127.db2.gz MMOZBUYLSOAYPW-LLVKDONJSA-N -1 0 340.404 3.508 20 0 EHADRM O=C([O-])c1cccc(CNc2cccc(NC(=O)c3ccoc3)c2)c1 ZINC000821552136 598204791 /nfs/dbraw/zinc/20/47/91/598204791.db2.gz IKAQPNNWLZRFBG-UHFFFAOYSA-N -1 0 336.347 3.842 20 0 EHADRM COc1ccccc1[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccccn1 ZINC000820876453 598205070 /nfs/dbraw/zinc/20/50/70/598205070.db2.gz JRHVEBNUCSVMQQ-HXUWFJFHSA-N -1 0 348.402 3.668 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N[C@H]2CCc3cc(F)ccc32)ccc1F ZINC000740004736 599713792 /nfs/dbraw/zinc/71/37/92/599713792.db2.gz DWLYOAHJTIYALA-AWEZNQCLSA-N -1 0 347.321 3.864 20 0 EHADRM Cc1cc([C@H]2CCCN2C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)no1 ZINC000738377924 599717341 /nfs/dbraw/zinc/71/73/41/599717341.db2.gz ANOCICXSQQJRPX-CQSZACIVSA-N -1 0 348.334 3.581 20 0 EHADRM Cc1ccc(CCNC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c(C)c1 ZINC000738591275 599718153 /nfs/dbraw/zinc/71/81/53/599718153.db2.gz AFQOXHUQIIUMGS-UHFFFAOYSA-N -1 0 345.374 3.897 20 0 EHADRM O=C([O-])NCCCC(=O)N[C@@H](CCc1ccccc1)c1ccccc1 ZINC000739961742 599724258 /nfs/dbraw/zinc/72/42/58/599724258.db2.gz BYQOTXZIZUIPPH-SFHVURJKSA-N -1 0 340.423 3.525 20 0 EHADRM O=C([O-])NCCCC(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000739959790 599726345 /nfs/dbraw/zinc/72/63/45/599726345.db2.gz ANZZAHHZSLQOTD-UHFFFAOYSA-N -1 0 340.807 3.648 20 0 EHADRM C[C@H](NC(=O)CCCNC(=O)[O-])c1ccccc1Oc1ccccc1 ZINC000736635648 599729920 /nfs/dbraw/zinc/72/99/20/599729920.db2.gz HZZBVZMIDCUQKK-AWEZNQCLSA-N -1 0 342.395 3.704 20 0 EHADRM C[C@H](CN(C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21)C1CC1)C(=O)[O-] ZINC000237611077 599730405 /nfs/dbraw/zinc/73/04/05/599730405.db2.gz IQYDKSYPTLCOPS-UPRAQXHNSA-N -1 0 337.419 3.655 20 0 EHADRM COc1ccc([C@@H](C)C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000737951436 599731653 /nfs/dbraw/zinc/73/16/53/599731653.db2.gz VFBCWRBCWHJNGP-SNVBAGLBSA-N -1 0 332.331 3.666 20 0 EHADRM O=C([O-])c1cccc(CSc2nnc(Cc3cccc(F)c3)o2)c1 ZINC000740225838 599731713 /nfs/dbraw/zinc/73/17/13/599731713.db2.gz PUSFKLQLDJYJRE-UHFFFAOYSA-N -1 0 344.367 3.790 20 0 EHADRM Cc1oc(COC(=O)Cc2c[nH]c3cc(Cl)ccc23)cc1C(=O)[O-] ZINC000738979646 599745019 /nfs/dbraw/zinc/74/50/19/599745019.db2.gz CEKLVTWPDALDCA-UHFFFAOYSA-N -1 0 347.754 3.707 20 0 EHADRM Cc1nc(CC(C)C)sc1C(=O)OCc1cc(C(=O)[O-])c(C)o1 ZINC000738851399 599745031 /nfs/dbraw/zinc/74/50/31/599745031.db2.gz LSGCQZXZYAULDB-UHFFFAOYSA-N -1 0 337.397 3.607 20 0 EHADRM CC(C)Cc1ccc(CS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000736452567 599751122 /nfs/dbraw/zinc/75/11/22/599751122.db2.gz AFKXLQIYZIVZIO-UHFFFAOYSA-N -1 0 346.448 3.698 20 0 EHADRM C[C@H](OC(=O)[C@@]1(C)CCCc2ccccc21)c1ccc(C(=O)[O-])o1 ZINC000736687126 599751408 /nfs/dbraw/zinc/75/14/08/599751408.db2.gz UWGCRYCSSXVVPB-BUXKBTBVSA-N -1 0 328.364 3.876 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000238035497 599765873 /nfs/dbraw/zinc/76/58/73/599765873.db2.gz GHPMMKFOMRMOQC-SUNKGSAMSA-N -1 0 342.222 3.563 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000736622701 599771891 /nfs/dbraw/zinc/77/18/91/599771891.db2.gz UVKQHIOWNDDURX-CYBMUJFWSA-N -1 0 329.371 3.660 20 0 EHADRM CC(C)(C)c1nc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)cs1 ZINC000262224002 599772411 /nfs/dbraw/zinc/77/24/11/599772411.db2.gz UKOFRUUQNYHHSV-UHFFFAOYSA-N -1 0 332.425 3.710 20 0 EHADRM C[C@@H]1Cc2ccccc2N(C(=O)Cn2cc(C(=O)[O-])c3ccccc32)C1 ZINC000736824806 599774004 /nfs/dbraw/zinc/77/40/04/599774004.db2.gz IPTLHBBUKSKWJB-CQSZACIVSA-N -1 0 348.402 3.565 20 0 EHADRM CCCCc1ccc(C(=O)COC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000737001343 599787865 /nfs/dbraw/zinc/78/78/65/599787865.db2.gz SEAUVDDAKQHNOH-UHFFFAOYSA-N -1 0 340.375 3.767 20 0 EHADRM O=C([O-])CSCCC(=O)OCc1ccc(-c2ccccc2)cc1 ZINC000739851986 599799630 /nfs/dbraw/zinc/79/96/30/599799630.db2.gz IVBAEBTTZPKZMO-UHFFFAOYSA-N -1 0 330.405 3.605 20 0 EHADRM Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000262662319 599800402 /nfs/dbraw/zinc/80/04/02/599800402.db2.gz UTBHBMOSAHSSBS-XYPHTWIQSA-N -1 0 339.391 3.794 20 0 EHADRM O=C([O-])c1ccc2c(=O)[nH]c(C=Cc3ccc(O)c(Cl)c3)nc2c1 ZINC000740188583 599801476 /nfs/dbraw/zinc/80/14/76/599801476.db2.gz COHQMETYECGZSD-QHHAFSJGSA-N -1 0 342.738 3.563 20 0 EHADRM Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccsc1C(=O)[O-] ZINC000738957037 599803985 /nfs/dbraw/zinc/80/39/85/599803985.db2.gz QQMKGUFPFVWWKS-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)NCc2ccc(Cl)cc2)cc1 ZINC000322879496 599804349 /nfs/dbraw/zinc/80/43/49/599804349.db2.gz AZBPBLVXQISBSR-UHFFFAOYSA-N -1 0 332.787 3.679 20 0 EHADRM C[C@H](NC(=S)N(C)Cc1ccc(C(=O)[O-])cc1)c1cccs1 ZINC000736661230 599806274 /nfs/dbraw/zinc/80/62/74/599806274.db2.gz UAUKQGPDWNHYIA-NSHDSACASA-N -1 0 334.466 3.514 20 0 EHADRM O=C([O-])c1ccc(N2CCCC2)c(NC(=O)c2cccc(F)c2F)c1 ZINC000740147045 599809596 /nfs/dbraw/zinc/80/95/96/599809596.db2.gz YMFUQYYBZWXKJH-UHFFFAOYSA-N -1 0 346.333 3.516 20 0 EHADRM CC(C)[C@@H](NC(=O)[O-])C(=O)OCc1sc2ccccc2c1Cl ZINC000736384433 599811403 /nfs/dbraw/zinc/81/14/03/599811403.db2.gz FNGHWGNJDHIRSZ-CYBMUJFWSA-N -1 0 341.816 3.890 20 0 EHADRM CC(C)(C)c1nc(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)cs1 ZINC000736299643 599811578 /nfs/dbraw/zinc/81/15/78/599811578.db2.gz OVKDXKMNENFLTC-UHFFFAOYSA-N -1 0 348.424 3.546 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C[C@H]1CCCc2ccccc21)c1cccs1 ZINC000238129419 599811651 /nfs/dbraw/zinc/81/16/51/599811651.db2.gz SWUGYKDSNHDXJV-GDBMZVCRSA-N -1 0 343.448 3.890 20 0 EHADRM Cc1cc(C(=O)N2CCCC[C@H]2C(=O)[O-])sc1-c1ccc(F)cc1 ZINC000128580579 599817579 /nfs/dbraw/zinc/81/75/79/599817579.db2.gz LGHQRTAMRNZJRQ-AWEZNQCLSA-N -1 0 347.411 3.942 20 0 EHADRM CCCCc1ccc(C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)cc1 ZINC000392287604 599821806 /nfs/dbraw/zinc/82/18/06/599821806.db2.gz YKRFKMZPMUQKBY-GOSISDBHSA-N -1 0 339.391 3.522 20 0 EHADRM C[C@@H](CCc1ccccc1)NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000326983239 599826931 /nfs/dbraw/zinc/82/69/31/599826931.db2.gz VOSHBHPLBSOCJA-HNNXBMFYSA-N -1 0 340.423 3.847 20 0 EHADRM O=C([O-])c1ccccc1C(=O)OCc1ccccc1Br ZINC000740242710 599829249 /nfs/dbraw/zinc/82/92/49/599829249.db2.gz QXKFPXDYGNHEKC-UHFFFAOYSA-N -1 0 335.153 3.504 20 0 EHADRM CCOc1c(Cl)cc(/C=C(\C(=O)[O-])c2ccncc2)cc1OC ZINC000737179768 599830983 /nfs/dbraw/zinc/83/09/83/599830983.db2.gz SOHAVXBPGWAYLI-JYRVWZFOSA-N -1 0 333.771 3.768 20 0 EHADRM CC(C)Oc1cccc(CNC(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC000736495301 599837130 /nfs/dbraw/zinc/83/71/30/599837130.db2.gz WEBDWGBPHISGIO-UHFFFAOYSA-N -1 0 346.358 3.633 20 0 EHADRM CN(CCCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000737429875 599839224 /nfs/dbraw/zinc/83/92/24/599839224.db2.gz OZPWAMHOCYBNPS-UHFFFAOYSA-N -1 0 338.713 3.687 20 0 EHADRM Cc1ccc(N(Cc2ccco2)C(=O)CCCN(C)C(=O)[O-])cc1C ZINC000738608738 599840814 /nfs/dbraw/zinc/84/08/14/599840814.db2.gz UYTVUOGRMUGYLR-UHFFFAOYSA-N -1 0 344.411 3.820 20 0 EHADRM COc1ccc(SCCC(=O)Nc2cccc(F)c2C(=O)[O-])cc1 ZINC000738068703 599845147 /nfs/dbraw/zinc/84/51/47/599845147.db2.gz OUVKXNYBCBGQBW-UHFFFAOYSA-N -1 0 349.383 3.653 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000325066397 599846091 /nfs/dbraw/zinc/84/60/91/599846091.db2.gz VRKZGYYPSFLDNR-UHFFFAOYSA-N -1 0 331.274 3.970 20 0 EHADRM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000390610719 599846497 /nfs/dbraw/zinc/84/64/97/599846497.db2.gz IIPRMOSZLZJRQR-VIFPVBQESA-N -1 0 337.734 3.583 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)/C=C/c2ccccc2)cc1 ZINC000237360529 599848606 /nfs/dbraw/zinc/84/86/06/599848606.db2.gz GEPQZCDMIRHPJA-CRVDFBCUSA-N -1 0 341.432 3.754 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)cn1 ZINC000190639211 599852443 /nfs/dbraw/zinc/85/24/43/599852443.db2.gz JFINDTHPUOWRLM-SFHVURJKSA-N -1 0 349.390 3.629 20 0 EHADRM O=C([O-])c1ccc(Cl)cc1OCc1ccn(-c2ccccc2)n1 ZINC000320319536 599855617 /nfs/dbraw/zinc/85/56/17/599855617.db2.gz WFKNLBYEKGQSKW-UHFFFAOYSA-N -1 0 328.755 3.803 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)OCCCOc1ccc(F)cc1 ZINC000740057700 599867446 /nfs/dbraw/zinc/86/74/46/599867446.db2.gz ZWGGRWSLGBFKCW-UHFFFAOYSA-N -1 0 333.315 3.542 20 0 EHADRM CCCc1ccc(C(=O)COC(=O)c2ccccc2NC(=O)[O-])cc1 ZINC000737045483 599870092 /nfs/dbraw/zinc/87/00/92/599870092.db2.gz SWJAWNSZJRJBHG-UHFFFAOYSA-N -1 0 341.363 3.769 20 0 EHADRM Cc1cc(C(=O)N(C)C[C@H](C)C(=O)[O-])sc1-c1ccc(F)cc1 ZINC000237408574 599875155 /nfs/dbraw/zinc/87/51/55/599875155.db2.gz YMXCEODDVFQVIV-NSHDSACASA-N -1 0 335.400 3.655 20 0 EHADRM O=C([O-])c1cccc(C(=O)OCc2ccccc2Oc2cccnc2)c1 ZINC000740220946 599883301 /nfs/dbraw/zinc/88/33/01/599883301.db2.gz KBIFYKZQILJTIU-UHFFFAOYSA-N -1 0 349.342 3.929 20 0 EHADRM CC(C)c1ccc(OCCC(=O)OCc2cc(C(=O)[O-])co2)cc1 ZINC000736515873 599884140 /nfs/dbraw/zinc/88/41/40/599884140.db2.gz WURJRWNRNHALFX-UHFFFAOYSA-N -1 0 332.352 3.614 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000736893134 599885158 /nfs/dbraw/zinc/88/51/58/599885158.db2.gz XPARUGKVPBEYGP-VTCQZUJXSA-N -1 0 345.439 3.733 20 0 EHADRM Cc1nc(-c2ccsc2)ccc1C(=O)OCc1cc(C(=O)[O-])co1 ZINC000738839456 599885424 /nfs/dbraw/zinc/88/54/24/599885424.db2.gz KLVFAMDBKDWALS-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM CCC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000736973739 599887290 /nfs/dbraw/zinc/88/72/90/599887290.db2.gz KJBNTEQMGPLYTL-CJNGLKHVSA-N -1 0 334.416 3.630 20 0 EHADRM CCCCCc1ccc(NC(=O)N[C@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000736991573 599889278 /nfs/dbraw/zinc/88/92/78/599889278.db2.gz MMYPSMSKBLSHRQ-INIZCTEOSA-N -1 0 333.432 3.683 20 0 EHADRM COc1ccc(C[C@H](C)OC(=O)c2ccc(NC(=O)[O-])cc2)cc1 ZINC000737984092 599890153 /nfs/dbraw/zinc/89/01/53/599890153.db2.gz IEINJPUEBRPNMN-LBPRGKRZSA-N -1 0 329.352 3.573 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)OCc2nc3ccccc3s2)c1 ZINC000740038860 599894387 /nfs/dbraw/zinc/89/43/87/599894387.db2.gz IZMLQQFDWZSRGC-UHFFFAOYSA-N -1 0 328.349 3.743 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)Nc1ccc(OCC2CCCCC2)cc1 ZINC000736377042 599896784 /nfs/dbraw/zinc/89/67/84/599896784.db2.gz RLAJCPKZZACTMO-KRWDZBQOSA-N -1 0 348.443 3.876 20 0 EHADRM Cc1cccc(-c2cccc(CNC(=O)[C@@H](NC(=O)[O-])C(C)C)c2)c1 ZINC000738679912 599898049 /nfs/dbraw/zinc/89/80/49/599898049.db2.gz FKBNPSZHYVRMEN-SFHVURJKSA-N -1 0 340.423 3.570 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)OCc1cc(C(=O)[O-])co1 ZINC000736890501 599904013 /nfs/dbraw/zinc/90/40/13/599904013.db2.gz CVQZGHFEDGYEET-XEHSLEBBSA-N -1 0 344.363 3.912 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N[C@@H]2CCCOc3ccc(F)cc32)c1 ZINC000740030180 599909080 /nfs/dbraw/zinc/90/90/80/599909080.db2.gz XHVAZBUKVCQOKN-OAHLLOKOSA-N -1 0 344.342 3.559 20 0 EHADRM O=Cc1cc(C(=O)[O-])ccc1OCCOc1cccc2ccccc21 ZINC000740315581 599909233 /nfs/dbraw/zinc/90/92/33/599909233.db2.gz DYFYPBXDUFYCKR-UHFFFAOYSA-N -1 0 336.343 3.808 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)NCc2cc3ccccc3s2)c1 ZINC000740031655 599909833 /nfs/dbraw/zinc/90/98/33/599909833.db2.gz SJKWAYMLNBRKSB-UHFFFAOYSA-N -1 0 326.377 3.921 20 0 EHADRM O=Cc1cc(C(=O)[O-])ccc1OCCCOc1ccc(Cl)cc1 ZINC000740316191 599910904 /nfs/dbraw/zinc/91/09/04/599910904.db2.gz JXMNXFCNDZTIKN-UHFFFAOYSA-N -1 0 334.755 3.699 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)c1ccccc1Nc1cccc(C)c1C ZINC000236821646 599913534 /nfs/dbraw/zinc/91/35/34/599913534.db2.gz KPBPHVOJHXWDPA-UHFFFAOYSA-N -1 0 340.423 3.984 20 0 EHADRM O=C([O-])CC1CCN(C(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)CC1 ZINC000262161559 599915233 /nfs/dbraw/zinc/91/52/33/599915233.db2.gz PQQXRYMAYMGUSJ-OALUTQOASA-N -1 0 337.419 3.657 20 0 EHADRM Cc1cc(NC(=O)[C@H](C)Oc2ccccc2Cl)ccc1C(=O)[O-] ZINC000237691126 599915745 /nfs/dbraw/zinc/91/57/45/599915745.db2.gz LPXXBRMRJLBJBU-NSHDSACASA-N -1 0 333.771 3.753 20 0 EHADRM Cc1cc(NC(=O)c2cc(F)c(F)cc2Cl)ccc1C(=O)[O-] ZINC000237728210 599917587 /nfs/dbraw/zinc/91/75/87/599917587.db2.gz GSWSXXTYAFNEOG-UHFFFAOYSA-N -1 0 325.698 3.877 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)CCc2ccc(F)cc2)c1 ZINC000238071124 599921983 /nfs/dbraw/zinc/92/19/83/599921983.db2.gz MOYZAFOCMCGKRL-UHFFFAOYSA-N -1 0 347.411 3.715 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000237389854 599922599 /nfs/dbraw/zinc/92/25/99/599922599.db2.gz HWUAXFARGYRCRO-SECBINFHSA-N -1 0 335.787 3.720 20 0 EHADRM CCC(CC)(C(=O)N1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000236865078 599926624 /nfs/dbraw/zinc/92/66/24/599926624.db2.gz KNMSFXDVJDZLHE-UHFFFAOYSA-N -1 0 337.847 3.721 20 0 EHADRM C[C@@H](OCCCNC(=O)c1cccc(NC(=O)[O-])c1)c1ccccc1 ZINC000736699489 599927893 /nfs/dbraw/zinc/92/78/93/599927893.db2.gz CUMRPVAJFPQPIN-CQSZACIVSA-N -1 0 342.395 3.674 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)N(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000736929714 599928767 /nfs/dbraw/zinc/92/87/67/599928767.db2.gz SYOVMXBWUPNEIO-PBHICJAKSA-N -1 0 347.455 3.679 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)CSc1ccc(F)cc1)c1ccccc1 ZINC000324257829 599936089 /nfs/dbraw/zinc/93/60/89/599936089.db2.gz UZNVJBFDSYFCIK-INIZCTEOSA-N -1 0 347.411 3.640 20 0 EHADRM COc1ccccc1[C@H]1CCCCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000738125818 599940555 /nfs/dbraw/zinc/94/05/55/599940555.db2.gz BLGOURZYKOXWGQ-CYBMUJFWSA-N -1 0 345.420 3.822 20 0 EHADRM Cn1cc(Cl)cc1C(=O)OCc1c2ccccc2sc1C(=O)[O-] ZINC000739034231 599943932 /nfs/dbraw/zinc/94/39/32/599943932.db2.gz PCBSRCOKHCEHCE-UHFFFAOYSA-N -1 0 349.795 3.948 20 0 EHADRM CC(C)[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1O)c1ccccc1 ZINC000736351350 599947652 /nfs/dbraw/zinc/94/76/52/599947652.db2.gz DTIAWYMDYOFDQD-HNNXBMFYSA-N -1 0 327.380 3.859 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cc3cc(F)ccc3s2)c1O ZINC000322228512 599948595 /nfs/dbraw/zinc/94/85/95/599948595.db2.gz XDFVZCHNPLSLLB-UHFFFAOYSA-N -1 0 331.324 3.697 20 0 EHADRM O=C([O-])c1ccoc1COC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000740252909 599953841 /nfs/dbraw/zinc/95/38/41/599953841.db2.gz OSEPUQCTELUXNN-SJORKVTESA-N -1 0 336.343 3.978 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2ccc(OC3CCCC3)nc2)cc1 ZINC000738661637 599980560 /nfs/dbraw/zinc/98/05/60/599980560.db2.gz XSAJGECMRAIGKZ-UHFFFAOYSA-N -1 0 341.367 3.745 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N2CCC[C@H](Cc3ccccc3)C2)c1 ZINC000740228063 599982954 /nfs/dbraw/zinc/98/29/54/599982954.db2.gz JUPXZOIJWQBEIE-MRXNPFEDSA-N -1 0 338.407 3.871 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000238149898 599995424 /nfs/dbraw/zinc/99/54/24/599995424.db2.gz ZROJSZYKVFZODX-GHMZBOCLSA-N -1 0 335.281 3.544 20 0 EHADRM CCSCc1ccc(C(=O)Nc2cc(OC)ccc2C(=O)[O-])cc1 ZINC000737232070 599998497 /nfs/dbraw/zinc/99/84/97/599998497.db2.gz WZXAZJKGVLWFFJ-UHFFFAOYSA-N -1 0 345.420 3.899 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000737734952 600000565 /nfs/dbraw/zinc/00/05/65/600000565.db2.gz QVKNFAMFKUNGBF-ZDUSSCGKSA-N -1 0 342.395 3.756 20 0 EHADRM CC[C@H](CC(=O)Nc1cc(OC)ccc1C(=O)[O-])c1ccccc1 ZINC000736891461 600004907 /nfs/dbraw/zinc/00/49/07/600004907.db2.gz BHBNMPUPXVNBCH-CYBMUJFWSA-N -1 0 327.380 3.916 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cc(SC)ccc2C)c1 ZINC000321802618 600012187 /nfs/dbraw/zinc/01/21/87/600012187.db2.gz YPNWAYBMBOPDRR-UHFFFAOYSA-N -1 0 331.393 3.676 20 0 EHADRM Cc1cc(NC(=O)NCc2cccc3cccnc32)ccc1C(=O)[O-] ZINC000327208168 600012224 /nfs/dbraw/zinc/01/22/24/600012224.db2.gz OQULQRBGZQTBSZ-UHFFFAOYSA-N -1 0 335.363 3.563 20 0 EHADRM Cc1cc(NC(=O)N[C@@H](C)Cc2ccccc2F)ccc1C(=O)[O-] ZINC000738443214 600012396 /nfs/dbraw/zinc/01/23/96/600012396.db2.gz VPGDVXFTVPEQCW-LBPRGKRZSA-N -1 0 330.359 3.585 20 0 EHADRM CC[C@@H](NC(=O)NC1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000263084321 600013775 /nfs/dbraw/zinc/01/37/75/600013775.db2.gz UYFMJKQKBWWYQJ-PESDSKBTSA-N -1 0 338.835 3.734 20 0 EHADRM CC[C@@H](NC(=O)NC1CCC(C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000262957332 600015683 /nfs/dbraw/zinc/01/56/83/600015683.db2.gz IRQSQADTNPQZJZ-WDIPEOLASA-N -1 0 338.835 3.734 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N(C)[C@@H](C)c1cccc(O)c1 ZINC000738528154 600016393 /nfs/dbraw/zinc/01/63/93/600016393.db2.gz KYMOUEUZDVJBQK-LBPRGKRZSA-N -1 0 328.368 3.624 20 0 EHADRM Cc1cc(NC(=O)N2CCc3sccc3[C@@H]2C)ccc1C(=O)[O-] ZINC000390665781 600016663 /nfs/dbraw/zinc/01/66/63/600016663.db2.gz QWXOSCKBHXSRMX-NSHDSACASA-N -1 0 330.409 3.906 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)N2CCC[C@H]2C2CCC2)c1 ZINC000739873947 600020380 /nfs/dbraw/zinc/02/03/80/600020380.db2.gz UWVAOAJAFUVGSG-INIZCTEOSA-N -1 0 348.468 3.801 20 0 EHADRM C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000736718590 600021879 /nfs/dbraw/zinc/02/18/79/600021879.db2.gz SOIIJOLFOLMABB-JTQLQIEISA-N -1 0 348.786 3.969 20 0 EHADRM C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000736719307 600022107 /nfs/dbraw/zinc/02/21/07/600022107.db2.gz XGVOAJHFWDMNEN-NSHDSACASA-N -1 0 329.356 3.707 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1C ZINC000738549801 600022126 /nfs/dbraw/zinc/02/21/26/600022126.db2.gz BIQIUMRWNMGUGE-CQSZACIVSA-N -1 0 338.407 3.788 20 0 EHADRM COc1ccc(C(=O)Oc2cccc(CC(=O)[O-])c2)c2ccccc12 ZINC000737947278 600025530 /nfs/dbraw/zinc/02/55/30/600025530.db2.gz KLKZQJGULXBXQD-UHFFFAOYSA-N -1 0 336.343 3.695 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000736762823 600026738 /nfs/dbraw/zinc/02/67/38/600026738.db2.gz MAYQZHOJCYBKTE-OLMNPRSZSA-N -1 0 348.439 3.697 20 0 EHADRM CCN(c1ccc(NC(=O)NC2CCC(C(=O)[O-])CC2)cc1)C(C)C ZINC000737108285 600029691 /nfs/dbraw/zinc/02/96/91/600029691.db2.gz JICQGOOUCYNXKS-UHFFFAOYSA-N -1 0 347.459 3.686 20 0 EHADRM Cc1ccccc1C1CCN(C(=O)NC2CCC(C(=O)[O-])CC2)CC1 ZINC000262947543 600031788 /nfs/dbraw/zinc/03/17/88/600031788.db2.gz AJAXJQQSNNNMDI-UHFFFAOYSA-N -1 0 344.455 3.527 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000238070833 600032111 /nfs/dbraw/zinc/03/21/11/600032111.db2.gz NCROCTQFSGRCDK-UHFFFAOYSA-N -1 0 348.196 3.719 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)Nc1ccc(N(C)C(=O)[O-])cc1)CC2 ZINC000738297537 600032596 /nfs/dbraw/zinc/03/25/96/600032596.db2.gz LOYQJPUTCDTIMY-KRWDZBQOSA-N -1 0 339.395 3.918 20 0 EHADRM Cc1ccc(NC(=S)N2Cc3ccc(C(=O)[O-])cc3C2)cc1F ZINC000738629070 600033890 /nfs/dbraw/zinc/03/38/90/600033890.db2.gz XVCOCRQDAZCKHV-UHFFFAOYSA-N -1 0 330.384 3.545 20 0 EHADRM COc1ccc(C)cc1[C@@H](C)NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000262588362 600034801 /nfs/dbraw/zinc/03/48/01/600034801.db2.gz HEVDDBYAHOZCSP-CQSZACIVSA-N -1 0 341.407 3.512 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC000485659931 600035872 /nfs/dbraw/zinc/03/58/72/600035872.db2.gz HAJPXYOSCRBAIW-BPQIPLTHSA-N -1 0 329.440 3.793 20 0 EHADRM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)c1 ZINC000738098069 600038877 /nfs/dbraw/zinc/03/88/77/600038877.db2.gz YJHGBECPPSSVAB-SJORKVTESA-N -1 0 340.379 3.552 20 0 EHADRM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)c1 ZINC000738098065 600038999 /nfs/dbraw/zinc/03/89/99/600038999.db2.gz YJHGBECPPSSVAB-DLBZAZTESA-N -1 0 340.379 3.552 20 0 EHADRM COc1ccccc1C/C(C)=C\C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000738124140 600039079 /nfs/dbraw/zinc/03/90/79/600039079.db2.gz LJEMATQYSOTXSJ-QBFSEMIESA-N -1 0 340.379 3.913 20 0 EHADRM CN(CCCCc1ccccc1)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237063509 600040029 /nfs/dbraw/zinc/04/00/29/600040029.db2.gz WMCFEGSBBGMBQO-UHFFFAOYSA-N -1 0 339.435 3.799 20 0 EHADRM C[C@@]1(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)CCCc2ccccc21 ZINC000621556829 600041972 /nfs/dbraw/zinc/04/19/72/600041972.db2.gz SLRRVAKNFKPWAN-OAQYLSRUSA-N -1 0 335.403 3.521 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000321784479 600043698 /nfs/dbraw/zinc/04/36/98/600043698.db2.gz TYZKVRKODBBEGZ-UHFFFAOYSA-N -1 0 347.823 3.916 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCc3cc(Cl)cc(F)c32)s1 ZINC000740108909 600045976 /nfs/dbraw/zinc/04/59/76/600045976.db2.gz AWLZXLSFHXHCHJ-UHFFFAOYSA-N -1 0 339.775 3.832 20 0 EHADRM Cc1cc(C(=O)[O-])c2sc(NC(=O)CC3CCCCC3)nc2n1 ZINC000738343205 600049454 /nfs/dbraw/zinc/04/94/54/600049454.db2.gz QMIIBQQSWLHRHP-UHFFFAOYSA-N -1 0 333.413 3.607 20 0 EHADRM CCCCCOc1ccc(C(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000262194930 600051018 /nfs/dbraw/zinc/05/10/18/600051018.db2.gz RWBCWWZHDHELPU-UHFFFAOYSA-N -1 0 333.428 3.629 20 0 EHADRM CC(C)c1cc(C(=O)NC2CCC(C(=O)[O-])CC2)c2ccccc2n1 ZINC000236684597 600052871 /nfs/dbraw/zinc/05/28/71/600052871.db2.gz AFSACXOZNNOVGI-UHFFFAOYSA-N -1 0 340.423 3.731 20 0 EHADRM CCn1c(SCc2ccc(F)cc2C(=O)[O-])nnc1-c1ccco1 ZINC000737300118 600057914 /nfs/dbraw/zinc/05/79/14/600057914.db2.gz WPDCPRDJOQUOQJ-UHFFFAOYSA-N -1 0 347.371 3.688 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000739553126 600059061 /nfs/dbraw/zinc/05/90/61/600059061.db2.gz MPTNWYAHYPVVDY-UONOGXRCSA-N -1 0 338.388 3.623 20 0 EHADRM C/C(=C/C(=O)Oc1ccc(CC(=O)[O-])cc1)c1ccccc1Cl ZINC000736121962 600059699 /nfs/dbraw/zinc/05/96/99/600059699.db2.gz QHXIEFJQUWJXHM-BENRWUELSA-N -1 0 330.767 3.976 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)NCCc2ccc3ccccc3c2)cc1 ZINC000238066945 600062370 /nfs/dbraw/zinc/06/23/70/600062370.db2.gz OYYLPQMOHHQVAM-UHFFFAOYSA-N -1 0 347.414 3.830 20 0 EHADRM CC(C)Sc1ccc([C@H](C)NC(=O)c2ccc(C(=O)[O-])cn2)cc1 ZINC000567056222 600063744 /nfs/dbraw/zinc/06/37/44/600063744.db2.gz BOVXXFSAQSHCFM-LBPRGKRZSA-N -1 0 344.436 3.771 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2cnc(-c3ccco3)s2)ccc1F ZINC000740012651 600063810 /nfs/dbraw/zinc/06/38/10/600063810.db2.gz QFLSTKCZSVZDHM-UHFFFAOYSA-N -1 0 347.327 3.884 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000237095069 600065840 /nfs/dbraw/zinc/06/58/40/600065840.db2.gz PPANZWPZJARUNA-PKNBQFBNSA-N -1 0 329.327 3.575 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)Cc2ccc(F)cc2)c1 ZINC000238212477 600067459 /nfs/dbraw/zinc/06/74/59/600067459.db2.gz PMHJPVKUOOCSDX-UHFFFAOYSA-N -1 0 347.411 3.715 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2ccsc2)c2ccccc2)nc1 ZINC000191131917 600071010 /nfs/dbraw/zinc/07/10/10/600071010.db2.gz SLQQPLMHYDVPJP-UHFFFAOYSA-N -1 0 338.388 3.688 20 0 EHADRM CC(C)c1ccc(NC(=O)c2cc(-c3ccoc3)[nH]n2)c(C(=O)[O-])c1 ZINC000736515812 600074549 /nfs/dbraw/zinc/07/45/49/600074549.db2.gz SJWPBYAYPLSUCB-UHFFFAOYSA-N -1 0 339.351 3.744 20 0 EHADRM Cc1cccc(C)c1Oc1ccccc1NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000432106862 600076390 /nfs/dbraw/zinc/07/63/90/600076390.db2.gz AICJKHMUIPMOFK-ZIAGYGMSSA-N -1 0 325.364 3.755 20 0 EHADRM Cc1c(Cl)cccc1NC(=O)[C@@H](C)Oc1ccc(C(=O)[O-])cc1 ZINC000013414020 600076851 /nfs/dbraw/zinc/07/68/51/600076851.db2.gz KPLVZIXCUOHIGI-LLVKDONJSA-N -1 0 333.771 3.753 20 0 EHADRM CCC[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000362489400 600078375 /nfs/dbraw/zinc/07/83/75/600078375.db2.gz OIECAASUVAHENF-CWSCBRNRSA-N -1 0 330.211 3.672 20 0 EHADRM COC(=O)c1cc(Cl)ccc1OCc1ccc(F)cc1C(=O)[O-] ZINC000737654788 600080653 /nfs/dbraw/zinc/08/06/53/600080653.db2.gz XLCYOBWOAVBCOG-UHFFFAOYSA-N -1 0 338.718 3.543 20 0 EHADRM CSCc1cccc(NC(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000738145854 600085522 /nfs/dbraw/zinc/08/55/22/600085522.db2.gz GQPWLVCYPROKBA-UHFFFAOYSA-N -1 0 330.409 3.570 20 0 EHADRM CCc1cccc2c(CC(=O)O[C@@H](C(=O)[O-])c3ccccc3)c[nH]c21 ZINC000737269515 600089297 /nfs/dbraw/zinc/08/92/97/600089297.db2.gz HDAGQSXVRWWLAF-LJQANCHMSA-N -1 0 337.375 3.642 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2cc(Cl)nc(Cl)c2)ccc1F ZINC000740007847 600090441 /nfs/dbraw/zinc/09/04/41/600090441.db2.gz KUWIVELTVUTMKR-UHFFFAOYSA-N -1 0 344.129 3.870 20 0 EHADRM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000738638442 600090849 /nfs/dbraw/zinc/09/08/49/600090849.db2.gz LRZALOGARMOPLE-LLVKDONJSA-N -1 0 332.331 3.630 20 0 EHADRM COc1ccc(C2(NC(=O)Nc3ccc(C(=O)[O-])c(C)c3)CC2)cc1 ZINC000737984592 600096160 /nfs/dbraw/zinc/09/61/60/600096160.db2.gz YTPLXVAKCPCSIS-UHFFFAOYSA-N -1 0 340.379 3.513 20 0 EHADRM CC1(C)CO[C@H](c2ccccc2)CN1Cc1ccc(F)cc1C(=O)[O-] ZINC000652408384 600100788 /nfs/dbraw/zinc/10/07/88/600100788.db2.gz GFFBUSURNBLPOZ-SFHVURJKSA-N -1 0 343.398 3.876 20 0 EHADRM COc1ccccc1C/C(C)=C/C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000738123765 600108704 /nfs/dbraw/zinc/10/87/04/600108704.db2.gz HWBDAIZYHJCTOW-XZHRJIJLSA-N -1 0 344.363 3.780 20 0 EHADRM Cc1ccc(C)c(OCCC(=O)OCc2ccc(F)cc2C(=O)[O-])c1 ZINC000738576814 600112056 /nfs/dbraw/zinc/11/20/56/600112056.db2.gz AULSPQFVGBSTFD-UHFFFAOYSA-N -1 0 346.354 3.653 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000740079244 600113283 /nfs/dbraw/zinc/11/32/83/600113283.db2.gz MKXUHTHMNHDXBN-ZBFHGGJFSA-N -1 0 332.302 3.510 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)N2CCCc3ccccc3C2)cc1 ZINC000737332073 600113557 /nfs/dbraw/zinc/11/35/57/600113557.db2.gz NSUUWPTYPXBPLA-UHFFFAOYSA-N -1 0 339.395 3.781 20 0 EHADRM Cc1cc(OCc2nc(-c3ccc(C(=O)[O-])cc3)no2)ccc1Cl ZINC000738475377 600115606 /nfs/dbraw/zinc/11/56/06/600115606.db2.gz YWJLTEPWYUFIIC-UHFFFAOYSA-N -1 0 344.754 3.976 20 0 EHADRM CN(CC(C)(C)C)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000737405973 600124149 /nfs/dbraw/zinc/12/41/49/600124149.db2.gz JVZJAYLLUUJURP-UHFFFAOYSA-N -1 0 338.473 3.904 20 0 EHADRM O=C([O-])Nc1cc(NCC(=O)NC2CCCCCCC2)ccc1F ZINC000740012007 600127502 /nfs/dbraw/zinc/12/75/02/600127502.db2.gz IKHAYOCNGZWJTL-UHFFFAOYSA-N -1 0 337.395 3.557 20 0 EHADRM CC[C@@](NC(=O)/C=C/Sc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000736907830 600133671 /nfs/dbraw/zinc/13/36/71/600133671.db2.gz STVRSCGOVUANIG-KQDNUWKFSA-N -1 0 341.432 3.799 20 0 EHADRM CCC[C@](C)(NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000362525445 600143473 /nfs/dbraw/zinc/14/34/73/600143473.db2.gz MOZLSFUNVOSSIX-MKBNYLNASA-N -1 0 344.238 3.857 20 0 EHADRM CCC[C@@](C)(NC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000736954267 600143908 /nfs/dbraw/zinc/14/39/08/600143908.db2.gz JIENDCDELKKCNV-QLJPJBMISA-N -1 0 346.254 3.932 20 0 EHADRM CN(C)c1ccc([C@@H]2C[C@H]2C(=O)Nc2cccc(NC(=O)[O-])c2)cc1 ZINC000737376381 600145218 /nfs/dbraw/zinc/14/52/18/600145218.db2.gz DHIDIPWYGSNZKC-DLBZAZTESA-N -1 0 339.395 3.585 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(N(C)C)cc2)c(C(=O)[O-])c1 ZINC000738617626 600145243 /nfs/dbraw/zinc/14/52/43/600145243.db2.gz YMPYNPNLPNFNIT-HOTGVXAUSA-N -1 0 338.407 3.501 20 0 EHADRM Cc1cc(SCC(=O)c2cc(C(=O)[O-])co2)nc2ccccc12 ZINC000738481687 600146224 /nfs/dbraw/zinc/14/62/24/600146224.db2.gz KQBFEFSQCOUYCH-UHFFFAOYSA-N -1 0 327.361 3.809 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)NC[C@H](C)C(=O)[O-])c(F)c2)cc1C ZINC000237317500 600152241 /nfs/dbraw/zinc/15/22/41/600152241.db2.gz JNUZMVPAWVIXDK-ZDUSSCGKSA-N -1 0 329.371 3.560 20 0 EHADRM CCCc1c(C(=O)N2CCCc3sccc3C2)[nH]c(C)c1C(=O)[O-] ZINC000737043382 600154342 /nfs/dbraw/zinc/15/43/42/600154342.db2.gz ZEBYFPQEFKYBKA-UHFFFAOYSA-N -1 0 346.452 3.624 20 0 EHADRM Cc1ccc(NC(=O)Cc2ccccc2Br)c(C(=O)[O-])c1 ZINC000543447773 600156167 /nfs/dbraw/zinc/15/61/67/600156167.db2.gz WFGPDUCMUCLAEL-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM O=C([O-])CCOc1ccc(Nc2ccnc(-c3ccccc3)n2)cc1 ZINC000739740607 600161363 /nfs/dbraw/zinc/16/13/63/600161363.db2.gz YOCBPTYOWCTWLC-UHFFFAOYSA-N -1 0 335.363 3.741 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)N[C@@H](C)c1cc2ccccc2s1 ZINC000736422106 600166387 /nfs/dbraw/zinc/16/63/87/600166387.db2.gz OZYJTZYKLFKGGS-WCQYABFASA-N -1 0 334.441 3.761 20 0 EHADRM Cc1ccc(C(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)cc1C ZINC000237843713 600166785 /nfs/dbraw/zinc/16/67/85/600166785.db2.gz PPVORJNFSGOFLA-UHFFFAOYSA-N -1 0 347.361 3.699 20 0 EHADRM O=C([O-])c1ccc(NC(=O)COc2ccc3ccccc3c2)c(F)c1 ZINC000479544451 600167551 /nfs/dbraw/zinc/16/75/51/600167551.db2.gz SFYCRYSQGDGCGL-UHFFFAOYSA-N -1 0 339.322 3.695 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)Nc2ccc(C)c(Cl)c2)C(=O)[O-])cc1 ZINC000738563269 600173242 /nfs/dbraw/zinc/17/32/42/600173242.db2.gz ZCLPNUOFOOCOFX-OAHLLOKOSA-N -1 0 346.814 3.947 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N(C)C[C@@H](C)C(=O)[O-])c(F)c2)cc1C ZINC000237580080 600173645 /nfs/dbraw/zinc/17/36/45/600173645.db2.gz WDZVWOIOJFDOAW-CQSZACIVSA-N -1 0 343.398 3.902 20 0 EHADRM Cc1ccc([C@H](CNC(=O)Nc2cccc(Cl)c2C)C(=O)[O-])cc1 ZINC000738559434 600176698 /nfs/dbraw/zinc/17/66/98/600176698.db2.gz IEMFFOPDBWTJCG-AWEZNQCLSA-N -1 0 346.814 3.947 20 0 EHADRM CCN(C(=O)Nc1cccc(C(=O)[O-])c1C)[C@H](C)c1cccnc1 ZINC000737058167 600180534 /nfs/dbraw/zinc/18/05/34/600180534.db2.gz MZAJLBGKJOFQGR-CYBMUJFWSA-N -1 0 327.384 3.703 20 0 EHADRM CC(C)(C)Oc1ccccc1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000262975212 600184255 /nfs/dbraw/zinc/18/42/55/600184255.db2.gz BAOBABGEKJWCAB-UHFFFAOYSA-N -1 0 342.395 3.884 20 0 EHADRM Cc1ccc(C)c(NC(=S)N2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000738573773 600188781 /nfs/dbraw/zinc/18/87/81/600188781.db2.gz KDDUNRGADXPTNB-CQSZACIVSA-N -1 0 326.421 3.689 20 0 EHADRM Cc1cc(C)cc(NC(=S)N2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000738364423 600188833 /nfs/dbraw/zinc/18/88/33/600188833.db2.gz QWWQAXBQLIZONK-HNNXBMFYSA-N -1 0 326.421 3.689 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1OC(=O)CC[C@H]1CCCCO1 ZINC000739233241 600191202 /nfs/dbraw/zinc/19/12/02/600191202.db2.gz AHJIUQSGCOIVJS-OAHLLOKOSA-N -1 0 328.364 3.793 20 0 EHADRM CC(=O)c1ccc(C(=O)Oc2c(C(=O)[O-])ccc3ccccc32)cc1 ZINC000736192643 600192858 /nfs/dbraw/zinc/19/28/58/600192858.db2.gz LOCOIIRXBJGAMS-UHFFFAOYSA-N -1 0 334.327 3.960 20 0 EHADRM CC(C)c1ccc(CS(=O)(=O)[C@H](C)CC(=O)[O-])c(C(C)C)c1 ZINC000736514456 600193379 /nfs/dbraw/zinc/19/33/79/600193379.db2.gz RYCRVVSYEFTMMF-CYBMUJFWSA-N -1 0 326.458 3.711 20 0 EHADRM CCCC1CCC(N(C(=O)CCSCC(=O)[O-])C(C)C)CC1 ZINC000736971356 600198898 /nfs/dbraw/zinc/19/88/98/600198898.db2.gz AVLIOWXDNSTFMU-UHFFFAOYSA-N -1 0 329.506 3.790 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(-n3cccc3)c(F)c2)c(F)c1 ZINC000740150538 600201199 /nfs/dbraw/zinc/20/11/99/600201199.db2.gz SVXPHBUPAJKXCG-UHFFFAOYSA-N -1 0 342.301 3.706 20 0 EHADRM Cc1nc(-c2ccccc2F)sc1[C@H](C)OC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000738833492 600204436 /nfs/dbraw/zinc/20/44/36/600204436.db2.gz YLXSECAVNUYGDY-WCQGTBRESA-N -1 0 349.383 3.583 20 0 EHADRM CC(C)C[C@H](C)CC(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000236729318 600204559 /nfs/dbraw/zinc/20/45/59/600204559.db2.gz ARRPYWVRFOXPNU-ZDUSSCGKSA-N -1 0 341.398 3.840 20 0 EHADRM Cc1cc(Cl)ccc1Oc1ccc(Cn2cnc(C(=O)[O-])n2)cc1 ZINC000738397683 600204911 /nfs/dbraw/zinc/20/49/11/600204911.db2.gz XSMUNBKDQJLJGZ-UHFFFAOYSA-N -1 0 343.770 3.779 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000738539158 600206966 /nfs/dbraw/zinc/20/69/66/600206966.db2.gz CKIHZYDWUNZCLM-RYUDHWBXSA-N -1 0 332.302 3.681 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000485728102 600207324 /nfs/dbraw/zinc/20/73/24/600207324.db2.gz ABCJSHOCUYDPBX-JKSUJKDBSA-N -1 0 345.782 3.578 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(OCCC(=O)[O-])cc1)c1cccc(F)c1 ZINC000237472724 600207480 /nfs/dbraw/zinc/20/74/80/600207480.db2.gz RMHVACQYKLSATG-CYBMUJFWSA-N -1 0 345.370 3.812 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000740066318 600208413 /nfs/dbraw/zinc/20/84/13/600208413.db2.gz RBPXODMTHPMEFN-RKDXNWHRSA-N -1 0 335.281 3.544 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N2CCCC[C@H]2c2ccco2)cc1 ZINC000740122409 600210931 /nfs/dbraw/zinc/21/09/31/600210931.db2.gz CDMBKQANYSRVQM-INIZCTEOSA-N -1 0 327.380 3.664 20 0 EHADRM CN(Cc1cc(-c2cccs2)on1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737454428 600211569 /nfs/dbraw/zinc/21/15/69/600211569.db2.gz PZYXLXJWORHAAG-MRXNPFEDSA-N -1 0 328.393 3.661 20 0 EHADRM Cc1cccc(CCC(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)c1 ZINC000738707138 600213279 /nfs/dbraw/zinc/21/32/79/600213279.db2.gz AUANQLPWXPVEGX-UHFFFAOYSA-N -1 0 349.333 3.866 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc3c(c2)CCC3)c(OC(F)F)c1 ZINC000740157122 600213288 /nfs/dbraw/zinc/21/32/88/600213288.db2.gz LZYZHEUIQKQPDA-UHFFFAOYSA-N -1 0 347.317 3.727 20 0 EHADRM Cc1ccc([C@H]2CSCCN2C(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000237659826 600213717 /nfs/dbraw/zinc/21/37/17/600213717.db2.gz CPGDJJJSOWNLTL-CYBMUJFWSA-N -1 0 347.461 3.685 20 0 EHADRM Cc1cccc(C2(C(=O)N3C[C@H](C(=O)[O-])c4ccccc43)CCC2)c1 ZINC000327226047 600218211 /nfs/dbraw/zinc/21/82/11/600218211.db2.gz QVFMPESKCVWHBH-KRWDZBQOSA-N -1 0 335.403 3.632 20 0 EHADRM Cc1ccc([C@@H]2CCCN2[C@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)o1 ZINC000738581914 600218675 /nfs/dbraw/zinc/21/86/75/600218675.db2.gz GSPDQTULBWYKLG-KGLIPLIRSA-N -1 0 344.411 3.639 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2)c2ccccc21 ZINC000177482416 600218857 /nfs/dbraw/zinc/21/88/57/600218857.db2.gz SETOODJFJNIXBT-CQSZACIVSA-N -1 0 347.823 3.647 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)[C@H](C)C1 ZINC000320694317 600227132 /nfs/dbraw/zinc/22/71/32/600227132.db2.gz ORUKVASHDJPWSF-KKFJDGPESA-N -1 0 326.343 3.609 20 0 EHADRM COC(=O)Nc1cccc(NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000737642826 600233720 /nfs/dbraw/zinc/23/37/20/600233720.db2.gz CJKQYYLQPSJONC-UHFFFAOYSA-N -1 0 343.339 3.516 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)Nc2cccc(C(=O)[O-])c2C)o1 ZINC000738581296 600240220 /nfs/dbraw/zinc/24/02/20/600240220.db2.gz DYBBCTFTHQQBFJ-OAHLLOKOSA-N -1 0 328.368 3.964 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc(CC(=O)[O-])cc2)o1 ZINC000738584489 600241495 /nfs/dbraw/zinc/24/14/95/600241495.db2.gz XMGUNUWVUCSLSE-OAHLLOKOSA-N -1 0 328.368 3.584 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NC2(c3nccs3)CCCC2)c(F)c1 ZINC000739467138 600242424 /nfs/dbraw/zinc/24/24/24/600242424.db2.gz LSOLMEXBKZQUDI-UHFFFAOYSA-N -1 0 349.387 3.571 20 0 EHADRM Cc1oc(COC(=O)C(C)(C)c2cccc(Cl)c2)cc1C(=O)[O-] ZINC000738985156 600247228 /nfs/dbraw/zinc/24/72/28/600247228.db2.gz ZUYDISQZKKMOOV-UHFFFAOYSA-N -1 0 336.771 3.961 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)C[C@@H]1CCCc2ccccc21 ZINC000738085335 600248336 /nfs/dbraw/zinc/24/83/36/600248336.db2.gz NVQDDFWXHDVTRI-AWEZNQCLSA-N -1 0 340.375 3.809 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)C[C@H](C)c1ccc(F)cc1 ZINC000738084288 600248514 /nfs/dbraw/zinc/24/85/14/600248514.db2.gz GEOZMKPPMDDTMK-NSHDSACASA-N -1 0 332.327 3.632 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N3[C@@H]4CCCC[C@H]4C[C@H]3C(=O)[O-])cc2c1C ZINC000262615095 600255438 /nfs/dbraw/zinc/25/54/38/600255438.db2.gz LTSQOHAVSPDYTK-VHSSKADRSA-N -1 0 340.423 3.643 20 0 EHADRM CCSc1cccc(NC(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000737229429 600256912 /nfs/dbraw/zinc/25/69/12/600256912.db2.gz LAGIQKDLNNIPFH-UHFFFAOYSA-N -1 0 331.393 3.514 20 0 EHADRM Cc1cc(NC(=O)CCc2ccc(Cl)c(Cl)c2)c(C(=O)[O-])[nH]1 ZINC000738428316 600256956 /nfs/dbraw/zinc/25/69/56/600256956.db2.gz QVVQVOCNLPPRRS-UHFFFAOYSA-N -1 0 341.194 3.899 20 0 EHADRM Cc1[nH]c(C(=O)N(C)[C@@H](C)Cc2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC000738156294 600259142 /nfs/dbraw/zinc/25/91/42/600259142.db2.gz SILGNBOULDPESR-JTQLQIEISA-N -1 0 348.830 3.686 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000738534669 600267096 /nfs/dbraw/zinc/26/70/96/600267096.db2.gz ZTPUMAWTOPSKLB-GOSISDBHSA-N -1 0 338.407 3.836 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(C(=O)[C@@H]1C[C@H]1c1cccc3ccccc31)CC2 ZINC000262158022 600268373 /nfs/dbraw/zinc/26/83/73/600268373.db2.gz PEIWYBROGQRXOI-OTWHNJEPSA-N -1 0 349.430 3.657 20 0 EHADRM Cc1cc(NC(=O)NC(C)(C)c2cccc(F)c2)ccc1C(=O)[O-] ZINC000738437023 600278770 /nfs/dbraw/zinc/27/87/70/600278770.db2.gz GCWAYKGFCWSKSL-UHFFFAOYSA-N -1 0 330.359 3.889 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N2CCc3sccc3C2)c1 ZINC000317117467 600283501 /nfs/dbraw/zinc/28/35/01/600283501.db2.gz CNVBKADKOSXVSH-UHFFFAOYSA-N -1 0 336.800 3.690 20 0 EHADRM CN(Cc1ccc(NC(=O)c2ccc3ncccc3c2)cc1)C(=O)[O-] ZINC000737485470 600285850 /nfs/dbraw/zinc/28/58/50/600285850.db2.gz PNGMNSLERQONBO-UHFFFAOYSA-N -1 0 335.363 3.597 20 0 EHADRM CC(=O)Nc1ccc(NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000325381225 600287538 /nfs/dbraw/zinc/28/75/38/600287538.db2.gz NKJFLQUAMMUEGO-UHFFFAOYSA-N -1 0 347.758 3.641 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000739983415 600292100 /nfs/dbraw/zinc/29/21/00/600292100.db2.gz AWRPXULSPMTZGV-NEPJUHHUSA-N -1 0 344.333 3.761 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000738121475 600297532 /nfs/dbraw/zinc/29/75/32/600297532.db2.gz QLZDHCKNFOBJTG-CYBMUJFWSA-N -1 0 342.395 3.595 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(C(=O)N(C)C[C@H](C)C(=O)[O-])cc1F ZINC000237414115 600304585 /nfs/dbraw/zinc/30/45/85/600304585.db2.gz OFIWTJKDQLCYCU-LBPRGKRZSA-N -1 0 347.361 3.733 20 0 EHADRM CN(Cc1ccc(NC(=O)c2cc3ccsc3[nH]2)cc1)C(=O)[O-] ZINC000737485288 600306813 /nfs/dbraw/zinc/30/68/13/600306813.db2.gz GVIHTQBIARMNBH-UHFFFAOYSA-N -1 0 329.381 3.592 20 0 EHADRM CC(C)c1ccc(C(C)(C)NCc2noc(CCCC(=O)[O-])n2)cc1 ZINC000736512325 600306942 /nfs/dbraw/zinc/30/69/42/600306942.db2.gz IDPVWUCMRSRHNC-UHFFFAOYSA-N -1 0 345.443 3.625 20 0 EHADRM Cc1ccc2[nH]c(C(=O)Nc3ccc(CNC(=O)[O-])cc3)cc2c1C ZINC000738668113 600307868 /nfs/dbraw/zinc/30/78/68/600307868.db2.gz YFXYIERUNCQLQN-UHFFFAOYSA-N -1 0 337.379 3.805 20 0 EHADRM CC(C)c1cccc(NC(=O)CNc2ccc(CNC(=O)[O-])cc2)c1 ZINC000736522228 600315792 /nfs/dbraw/zinc/31/57/92/600315792.db2.gz YRDPOKNSUIGMRG-UHFFFAOYSA-N -1 0 341.411 3.628 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1csc(C2CC2)n1)c1cccc(Cl)c1 ZINC000740300317 600329189 /nfs/dbraw/zinc/32/91/89/600329189.db2.gz WYNXHPCQQUMCJX-GFCCVEGCSA-N -1 0 337.784 3.657 20 0 EHADRM Cc1cc(OC(C)C)ccc1NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000738464140 600336572 /nfs/dbraw/zinc/33/65/72/600336572.db2.gz BTKYIFMZGZOLCM-HNNXBMFYSA-N -1 0 346.427 3.501 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)Nc2ccc(CNC(=O)[O-])cc2)c1 ZINC000737732000 600338409 /nfs/dbraw/zinc/33/84/09/600338409.db2.gz ACRVGAMBLOSGSX-LBPRGKRZSA-N -1 0 343.383 3.806 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)Nc2ccc3scnc3c2)cc1 ZINC000739990946 600338607 /nfs/dbraw/zinc/33/86/07/600338607.db2.gz FVDQZFUJCMKQNM-UHFFFAOYSA-N -1 0 342.380 3.708 20 0 EHADRM C[C@@H](SCc1noc(CCCC(=O)[O-])n1)c1cc(F)ccc1F ZINC000736713974 600351904 /nfs/dbraw/zinc/35/19/04/600351904.db2.gz WOSTXNGXZPJSTJ-SECBINFHSA-N -1 0 342.367 3.750 20 0 EHADRM Cc1nc2cc(NC(=O)Nc3ccc(CNC(=O)[O-])cc3)ccc2o1 ZINC000738873832 600352727 /nfs/dbraw/zinc/35/27/27/600352727.db2.gz BXDFARHCUXMZDX-UHFFFAOYSA-N -1 0 340.339 3.548 20 0 EHADRM Cc1cc(NC(=O)C[C@H]2CCc3ccccc3C2)sc1C(=O)[O-] ZINC000738424776 600370087 /nfs/dbraw/zinc/37/00/87/600370087.db2.gz JYYMHZRHBNVIGU-LBPRGKRZSA-N -1 0 329.421 3.888 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2coc(-c3ccccc3)n2)cc1 ZINC000124780418 600377988 /nfs/dbraw/zinc/37/79/88/600377988.db2.gz KGUORBWAPZNCLN-UHFFFAOYSA-N -1 0 336.347 3.611 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)CCc1ccc(OC)cc1)c1ccccc1 ZINC000736853904 600379801 /nfs/dbraw/zinc/37/98/01/600379801.db2.gz VQMZLSXEUKLCBB-GOSISDBHSA-N -1 0 341.407 3.524 20 0 EHADRM COC(=O)[C@@H](Sc1nc2ccc(C(=O)[O-])cc2o1)c1ccccc1 ZINC000737581410 600380206 /nfs/dbraw/zinc/38/02/06/600380206.db2.gz STMXPSVFZKBTFG-AWEZNQCLSA-N -1 0 343.360 3.532 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)C[C@@H]2CCOc3ccccc32)c1 ZINC000739223760 600380779 /nfs/dbraw/zinc/38/07/79/600380779.db2.gz SXNMQGCTLZPGEE-NSHDSACASA-N -1 0 345.782 3.933 20 0 EHADRM CC[C@@H](C)[C@H]1CCCCN1C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000736881121 600380877 /nfs/dbraw/zinc/38/08/77/600380877.db2.gz WMBWKYUYSXKVSX-RHSMWYFYSA-N -1 0 342.439 3.767 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1cncc2ccccc21)c1ccccc1 ZINC000736850465 600384391 /nfs/dbraw/zinc/38/43/91/600384391.db2.gz IXKGTXNKCPVTAN-GOSISDBHSA-N -1 0 334.375 3.745 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000236579727 600384505 /nfs/dbraw/zinc/38/45/05/600384505.db2.gz TWGIUFGLJSAFSU-UHFFFAOYSA-N -1 0 335.400 3.927 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)Cn1ccc2ccccc21)c1ccccc1 ZINC000736850565 600386374 /nfs/dbraw/zinc/38/63/74/600386374.db2.gz AVWGJCUPCHQELU-QGZVFWFLSA-N -1 0 336.391 3.538 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)Cn1ccc2ccccc21)c1ccccc1 ZINC000736850563 600386675 /nfs/dbraw/zinc/38/66/75/600386675.db2.gz AVWGJCUPCHQELU-KRWDZBQOSA-N -1 0 336.391 3.538 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)NCCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000737256808 600386921 /nfs/dbraw/zinc/38/69/21/600386921.db2.gz JYTMJVRCHDDISZ-CQSZACIVSA-N -1 0 340.423 3.801 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1cc2ccccc2n1C)c1ccccc1 ZINC000736851374 600389365 /nfs/dbraw/zinc/38/93/65/600389365.db2.gz IAJCSCZCKCQLNG-MRXNPFEDSA-N -1 0 336.391 3.688 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1cccc(Cl)c1Cl ZINC000237517973 600390582 /nfs/dbraw/zinc/39/05/82/600390582.db2.gz CFPLLNHVCZMZSS-MRVPVSSYSA-N -1 0 339.178 3.578 20 0 EHADRM Cc1cccc(-c2ccc(CNC(=O)c3cccc(C(=O)[O-])n3)cc2)c1 ZINC000738681648 600391282 /nfs/dbraw/zinc/39/12/82/600391282.db2.gz YJJIVGZSDWFOKG-UHFFFAOYSA-N -1 0 346.386 3.685 20 0 EHADRM Cc1cccc(-c2ccc(CNC(=O)[C@H](NC(=O)[O-])C(C)C)cc2)c1 ZINC000738680431 600391364 /nfs/dbraw/zinc/39/13/64/600391364.db2.gz HGEMXWUJWYLKQM-GOSISDBHSA-N -1 0 340.423 3.570 20 0 EHADRM CSC[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000237357536 600393510 /nfs/dbraw/zinc/39/35/10/600393510.db2.gz MYHVZMWEHHHQRK-IUODEOHRSA-N -1 0 337.485 3.615 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N2CC[C@H](c3ccco3)C2)ccc1F ZINC000740006688 600394259 /nfs/dbraw/zinc/39/42/59/600394259.db2.gz VTRMVQCVKNUDJM-JTQLQIEISA-N -1 0 333.319 3.530 20 0 EHADRM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCO[C@H](c2ccccc2)C1 ZINC000565103988 600395827 /nfs/dbraw/zinc/39/58/27/600395827.db2.gz MZEXZTFEKBVUBW-IRXDYDNUSA-N -1 0 331.799 3.539 20 0 EHADRM Cc1ccc2c(c1)[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)CC2 ZINC000738671404 600397258 /nfs/dbraw/zinc/39/72/58/600397258.db2.gz XUWXEEXCUMZQPK-OAHLLOKOSA-N -1 0 328.343 3.641 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)Nc2ccsc2C(=O)[O-])s1 ZINC000738465684 600404769 /nfs/dbraw/zinc/40/47/69/600404769.db2.gz YJANSXQNMPKMRL-UHFFFAOYSA-N -1 0 333.337 3.670 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)[C@H](C)CC1CCCC1 ZINC000737873156 600405178 /nfs/dbraw/zinc/40/51/78/600405178.db2.gz QMVMLURTHSXIBT-CHOZFAJLSA-N -1 0 332.396 3.915 20 0 EHADRM CN(C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)C1CCCCC1 ZINC000737327690 600405769 /nfs/dbraw/zinc/40/57/69/600405769.db2.gz VBVCEDGAPCWMKA-UHFFFAOYSA-N -1 0 342.342 3.783 20 0 EHADRM CC(C)(C)/C=C/C(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC000736252400 600407098 /nfs/dbraw/zinc/40/70/98/600407098.db2.gz ZCIABBCUIXUGKS-MDZDMXLPSA-N -1 0 344.436 3.978 20 0 EHADRM O=C([O-])[C@H](NCc1coc(-c2cccs2)n1)c1cccc(Cl)c1 ZINC000739506170 600420443 /nfs/dbraw/zinc/42/04/43/600420443.db2.gz UWWNBLVEWCDHCV-CQSZACIVSA-N -1 0 348.811 3.972 20 0 EHADRM O=C([O-])[C@H](Nc1cccc(OCc2cccnc2)c1)c1ccccc1 ZINC000738525311 600425712 /nfs/dbraw/zinc/42/57/12/600425712.db2.gz JTVCPYTZCSCJEQ-LJQANCHMSA-N -1 0 334.375 3.898 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC000736928503 600425765 /nfs/dbraw/zinc/42/57/65/600425765.db2.gz KJKSJGQZHCSRMM-OAHLLOKOSA-N -1 0 342.395 3.699 20 0 EHADRM CC(C)NC(=O)c1ccc(N[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000736476999 600426365 /nfs/dbraw/zinc/42/63/65/600426365.db2.gz AVQOXJZZXCDTMA-MRXNPFEDSA-N -1 0 346.814 3.716 20 0 EHADRM C[C@@H](OC(=O)C[C@H]1CCc2ccccc2C1)c1ccc(C(=O)[O-])o1 ZINC000736686579 600436433 /nfs/dbraw/zinc/43/64/33/600436433.db2.gz UXXCLXGCZPCEJP-OLZOCXBDSA-N -1 0 328.364 3.777 20 0 EHADRM O=C([O-])c1cc(OCc2c(F)cccc2Cl)ccc1[N+](=O)[O-] ZINC000318563893 600444653 /nfs/dbraw/zinc/44/46/53/600444653.db2.gz BFJFOVGSNANZFK-UHFFFAOYSA-N -1 0 325.679 3.665 20 0 EHADRM O=C([O-])[C@H](OC(=O)Cc1ccc2c(c1)CCCC2)c1ccc(F)cc1 ZINC000739345628 600445311 /nfs/dbraw/zinc/44/53/11/600445311.db2.gz JUTRIRHJGKHRRT-LJQANCHMSA-N -1 0 342.366 3.616 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)/C=C/c2cccnc2)s1 ZINC000736294695 600450744 /nfs/dbraw/zinc/45/07/44/600450744.db2.gz ODQPRLNVCHAOAX-VOTSOKGWSA-N -1 0 330.409 3.791 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)CC[C@H]2CCCO2)s1 ZINC000736294196 600451539 /nfs/dbraw/zinc/45/15/39/600451539.db2.gz KGBNSUUGFXZKAM-SNVBAGLBSA-N -1 0 325.430 3.642 20 0 EHADRM C[C@@H]1c2ccc(F)cc2CCN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000736839490 600454874 /nfs/dbraw/zinc/45/48/74/600454874.db2.gz AAKOKIDMTKHFGG-LLVKDONJSA-N -1 0 328.343 3.675 20 0 EHADRM CC[C@@H](c1ccncc1)N(C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000736929998 600454999 /nfs/dbraw/zinc/45/49/99/600454999.db2.gz SLQDDWLEGHLNNM-INIZCTEOSA-N -1 0 327.384 3.703 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)NCc2coc3ccccc23)c1 ZINC000740043804 600456019 /nfs/dbraw/zinc/45/60/19/600456019.db2.gz YAZAEDHEJDAECS-UHFFFAOYSA-N -1 0 325.324 3.844 20 0 EHADRM C[C@@H](CC(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1)c1cccc(F)c1 ZINC000736555125 600457157 /nfs/dbraw/zinc/45/71/57/600457157.db2.gz BHIVCIVPCFLIBG-APPDUMDISA-N -1 0 334.318 3.828 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC000236946042 600459288 /nfs/dbraw/zinc/45/92/88/600459288.db2.gz KJFSISXWCDUMTE-UHFFFAOYSA-N -1 0 349.333 3.694 20 0 EHADRM Cc1cc(NC(=O)N[C@@H]2CSc3ccccc32)ccc1C(=O)[O-] ZINC000738440165 600463540 /nfs/dbraw/zinc/46/35/40/600463540.db2.gz DWURXEPNXNDGRT-CQSZACIVSA-N -1 0 328.393 3.662 20 0 EHADRM O=C([O-])c1occc1COC(=O)C1(c2cccs2)CCCCC1 ZINC000740282375 600466989 /nfs/dbraw/zinc/46/69/89/600466989.db2.gz VKZPLJQBRJVODB-UHFFFAOYSA-N -1 0 334.393 3.985 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2ccccc2OC2CCC2)c1 ZINC000678982464 600474501 /nfs/dbraw/zinc/47/45/01/600474501.db2.gz GZNNKWLZHJBZQC-UHFFFAOYSA-N -1 0 329.327 3.708 20 0 EHADRM Cc1cc(C)c(OCC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c(C)c1 ZINC000392137505 600477101 /nfs/dbraw/zinc/47/71/01/600477101.db2.gz NZWBYDWBJJWAQD-UHFFFAOYSA-N -1 0 347.798 3.981 20 0 EHADRM CCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1OC ZINC000324452289 600477792 /nfs/dbraw/zinc/47/77/92/600477792.db2.gz ZGRBEDVJIUCHMH-UHFFFAOYSA-N -1 0 349.770 3.698 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)cc1Cl ZINC000238181201 600479059 /nfs/dbraw/zinc/47/90/59/600479059.db2.gz NJFUJXFXWHOOIK-KBPBESRZSA-N -1 0 333.746 3.920 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2sccc2OC(F)F)cc1Cl ZINC000238122912 600479243 /nfs/dbraw/zinc/47/92/43/600479243.db2.gz JXLAOZAYBDQYGB-UHFFFAOYSA-N -1 0 347.726 3.953 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)o1 ZINC000345910523 600479713 /nfs/dbraw/zinc/47/97/13/600479713.db2.gz UJVOIDCKSSUWQS-SJORKVTESA-N -1 0 335.359 3.551 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)Nc2cccc(-c3cccs3)c2)C1 ZINC000263502616 600480138 /nfs/dbraw/zinc/48/01/38/600480138.db2.gz UGZOQDXZQWGNCT-CYBMUJFWSA-N -1 0 330.409 3.744 20 0 EHADRM COc1ccc(C)cc1CC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000320313318 600481119 /nfs/dbraw/zinc/48/11/19/600481119.db2.gz DAYBPTUXKMNGSO-UHFFFAOYSA-N -1 0 333.771 3.536 20 0 EHADRM O=C([O-])C1(NC(=O)c2cccc(Nc3ccccc3)c2)CCCCC1 ZINC000739374460 600484731 /nfs/dbraw/zinc/48/47/31/600484731.db2.gz UWSRGXQYZVMNOK-UHFFFAOYSA-N -1 0 338.407 3.948 20 0 EHADRM O=C([O-])C1CCC(NC(=O)c2cccc(Nc3ccccc3)c2)CC1 ZINC000261997606 600484885 /nfs/dbraw/zinc/48/48/85/600484885.db2.gz OKLSALBMXWVPNB-UHFFFAOYSA-N -1 0 338.407 3.803 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccc(C(C)(C)C)cc1 ZINC000263143238 600489944 /nfs/dbraw/zinc/48/99/44/600489944.db2.gz ZZPOKSNDIOMMFS-UKRRQHHQSA-N -1 0 332.444 3.551 20 0 EHADRM Cc1ccc(NC(=O)C[C@@H](C)C(=O)c2ccccc2)c(C(=O)[O-])c1 ZINC000738617163 600493463 /nfs/dbraw/zinc/49/34/63/600493463.db2.gz TUTSUNICWXYLGY-CYBMUJFWSA-N -1 0 325.364 3.541 20 0 EHADRM Cc1oc(CN(C)C(=O)NC[C@H](C)c2ccc(C)cc2)cc1C(=O)[O-] ZINC000738550119 600501136 /nfs/dbraw/zinc/50/11/36/600501136.db2.gz FJRPOBHJTRKSNL-ZDUSSCGKSA-N -1 0 344.411 3.540 20 0 EHADRM Cc1ccc([C@H](C)CNC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000738551633 600501230 /nfs/dbraw/zinc/50/12/30/600501230.db2.gz LXXXBFREKANTCH-OAHLLOKOSA-N -1 0 340.423 3.638 20 0 EHADRM CC(=O)c1c(F)cccc1NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000736187248 600503848 /nfs/dbraw/zinc/50/38/48/600503848.db2.gz SUTHRGKKJPKOLM-UHFFFAOYSA-N -1 0 345.370 3.884 20 0 EHADRM C[C@H](OC(=O)c1ccccc1OC1CCC1)c1ccc(C(=O)[O-])o1 ZINC000736699045 600504527 /nfs/dbraw/zinc/50/45/27/600504527.db2.gz ZQPGTURGHYPZTN-NSHDSACASA-N -1 0 330.336 3.827 20 0 EHADRM Cc1cc([C@H]2CCCN2C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)no1 ZINC000738377990 600508354 /nfs/dbraw/zinc/50/83/54/600508354.db2.gz CFSUUPJTYBJNMO-CQSZACIVSA-N -1 0 349.774 3.704 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)SC2=Nc3ccccc3C2)c(C)c1C(=O)[O-] ZINC000738237279 600519636 /nfs/dbraw/zinc/51/96/36/600519636.db2.gz SVQNNSGZBMCMOI-NSHDSACASA-N -1 0 342.420 3.920 20 0 EHADRM CS[C@H](C(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1ccccc1 ZINC000738182521 600523692 /nfs/dbraw/zinc/52/36/92/600523692.db2.gz RHGFQLYUOWJICX-AWEZNQCLSA-N -1 0 337.347 3.706 20 0 EHADRM Cc1ccccc1C[C@H]1CCCN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000738767380 600526221 /nfs/dbraw/zinc/52/62/21/600526221.db2.gz GMRFYVMJEFYNNK-GOSISDBHSA-N -1 0 338.407 3.932 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000479405520 600526372 /nfs/dbraw/zinc/52/63/72/600526372.db2.gz IJANVQHRKBFGGN-HNNXBMFYSA-N -1 0 329.371 3.977 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@@H](C)c1cccc(C)c1)c1ccccc1 ZINC000736850129 600527102 /nfs/dbraw/zinc/52/71/02/600527102.db2.gz STQHUPIKTWFQGL-YJBOKZPZSA-N -1 0 325.408 3.995 20 0 EHADRM C[C@H]1CCC[C@H](OCC(=O)Oc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000736777938 600533077 /nfs/dbraw/zinc/53/30/77/600533077.db2.gz DXRVKAJBLHBEIF-JQWIXIFHSA-N -1 0 326.776 3.539 20 0 EHADRM Cc1ccccc1[C@H](CC(C)C)NC(=O)NCc1ccc(C(=O)[O-])o1 ZINC000738759457 600533583 /nfs/dbraw/zinc/53/35/83/600533583.db2.gz YFYSMIOFQXLZIW-INIZCTEOSA-N -1 0 344.411 3.873 20 0 EHADRM Cc1[nH]c(C(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)c(C)c1C(=O)[O-] ZINC000738158975 600538914 /nfs/dbraw/zinc/53/89/14/600538914.db2.gz KDABZMCOMKPSLV-CQSZACIVSA-N -1 0 348.349 3.585 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)Nc2ccc(OC3CCCC3)cc2)o1 ZINC000739437215 600541191 /nfs/dbraw/zinc/54/11/91/600541191.db2.gz BZWWQZDRJCMQQJ-UHFFFAOYSA-N -1 0 344.367 3.621 20 0 EHADRM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Oc1ccc(C(=O)[O-])cc1 ZINC000736703150 600550780 /nfs/dbraw/zinc/55/07/80/600550780.db2.gz NXTFMSHQJXDCRM-SECBINFHSA-N -1 0 338.718 3.550 20 0 EHADRM CC(C)[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000236626089 600553447 /nfs/dbraw/zinc/55/34/47/600553447.db2.gz IXLZVLAPZOGZKG-GWCFXTLKSA-N -1 0 347.333 3.509 20 0 EHADRM COc1ccc2cc(/C=C/C(=O)N(CCC(=O)[O-])C(C)C)ccc2c1 ZINC000738079782 600559141 /nfs/dbraw/zinc/55/91/41/600559141.db2.gz RWGJJXNZSPNHQB-WEVVVXLNSA-N -1 0 341.407 3.573 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000236746282 600560122 /nfs/dbraw/zinc/56/01/22/600560122.db2.gz UKWARILPYJWMMO-QZTJIDSGSA-N -1 0 325.408 3.655 20 0 EHADRM O=C([O-])c1ccc(OC(=O)C[C@H]2OCCc3ccccc32)c(Cl)c1 ZINC000739223826 600569823 /nfs/dbraw/zinc/56/98/23/600569823.db2.gz AURXSZQDBVZILP-MRXNPFEDSA-N -1 0 346.766 3.648 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)C2(c3cccc(F)c3)CC2)cc1 ZINC000737329903 600571582 /nfs/dbraw/zinc/57/15/82/600571582.db2.gz OWFRHCPBFWOYAH-UHFFFAOYSA-N -1 0 328.343 3.610 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000740055306 600573026 /nfs/dbraw/zinc/57/30/26/600573026.db2.gz AXHINKJTYBGDSP-UHFFFAOYSA-N -1 0 343.358 3.768 20 0 EHADRM Cc1nc(CCC(=O)O[C@H](CC(C)C)C(=O)[O-])oc1-c1ccccc1 ZINC000738854214 600574046 /nfs/dbraw/zinc/57/40/46/600574046.db2.gz GRUGLBRUVLOMCF-OAHLLOKOSA-N -1 0 345.395 3.625 20 0 EHADRM Cc1nc(Cc2ccccc2)sc1C(=O)O[C@H](CC(C)C)C(=O)[O-] ZINC000738859782 600575174 /nfs/dbraw/zinc/57/51/74/600575174.db2.gz UBXLTGPWNRQXLY-CQSZACIVSA-N -1 0 347.436 3.698 20 0 EHADRM COc1cccc2sc(NC(=O)c3ccccc3NC(=O)[O-])nc21 ZINC000738114271 600577454 /nfs/dbraw/zinc/57/74/54/600577454.db2.gz VNQCJNMRNFMPRL-UHFFFAOYSA-N -1 0 343.364 3.647 20 0 EHADRM C[C@@H](Sc1ncccc1Br)c1ccc(C(=O)[O-])o1 ZINC000091779527 600581607 /nfs/dbraw/zinc/58/16/07/600581607.db2.gz FDPYBCUOQAFVLG-SSDOTTSWSA-N -1 0 328.187 3.989 20 0 EHADRM C[C@H](CC(=O)[O-])SCC(=O)N(Cc1cccc(F)c1)C(C)(C)C ZINC000736550156 600581947 /nfs/dbraw/zinc/58/19/47/600581947.db2.gz BULYSSRWDWZVFH-GFCCVEGCSA-N -1 0 341.448 3.549 20 0 EHADRM C[C@@H](CC(=O)[O-])SCc1csc(COc2ccc(F)cc2)n1 ZINC000736556993 600586882 /nfs/dbraw/zinc/58/68/82/600586882.db2.gz PLRHPHMZDBWAKN-JTQLQIEISA-N -1 0 341.429 3.958 20 0 EHADRM C[C@@H](CC(=O)[O-])S[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000736551801 600589244 /nfs/dbraw/zinc/58/92/44/600589244.db2.gz KPJGOTKSCXFJGH-IUCAKERBSA-N -1 0 335.347 3.629 20 0 EHADRM C[C@H](CC(=O)[O-])SCC[S@](=O)c1cc(Cl)ccc1Cl ZINC000736551181 600591780 /nfs/dbraw/zinc/59/17/80/600591780.db2.gz ARPQBWDRCZPPFZ-YLVJLNSGSA-N -1 0 341.281 3.697 20 0 EHADRM Cc1cc(C(=O)N(C)C[C@H](C)C(=O)[O-])c(C)n1[C@H](C)c1ccccc1 ZINC000237408811 600592838 /nfs/dbraw/zinc/59/28/38/600592838.db2.gz MAKGDWHHZCCHJY-DZGCQCFKSA-N -1 0 342.439 3.507 20 0 EHADRM C[C@@H](NC(=O)[C@H](C)SC[C@@H](C)C(=O)[O-])c1ccc2ccccc2c1 ZINC000736614507 600597514 /nfs/dbraw/zinc/59/75/14/600597514.db2.gz DGIWOGDQWIHXCR-MCIONIFRSA-N -1 0 345.464 3.859 20 0 EHADRM C[C@@H](CC(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-])C1CC1 ZINC000736541879 600598901 /nfs/dbraw/zinc/59/89/01/600598901.db2.gz POLIIMFSGAOPOV-KBXCAEBGSA-N -1 0 339.435 3.636 20 0 EHADRM C[C@@H](CSCC(=O)N(C1CCCCC1)C1CCCCC1)C(=O)[O-] ZINC000736616811 600599513 /nfs/dbraw/zinc/59/95/13/600599513.db2.gz MEXSTPVZAKROHM-AWEZNQCLSA-N -1 0 341.517 3.934 20 0 EHADRM CC(F)(F)CCC(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000736629825 600602798 /nfs/dbraw/zinc/60/27/98/600602798.db2.gz PAKQYOOAFFPJEI-HNNXBMFYSA-N -1 0 349.377 3.635 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)N(CC(=O)[O-])c2ccccc2)ccc1Cl ZINC000738464296 600604122 /nfs/dbraw/zinc/60/41/22/600604122.db2.gz FLUFJMDQLGDKGA-CYBMUJFWSA-N -1 0 347.798 3.534 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1ccsc1)Cc1ccc2ccccc2c1 ZINC000362803796 600604537 /nfs/dbraw/zinc/60/45/37/600604537.db2.gz AHTVHKMDLXZKEF-KRWDZBQOSA-N -1 0 339.416 3.575 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)[C@H]1CC=CCC1)Cc1ccc2ccccc2c1 ZINC000238174657 600605707 /nfs/dbraw/zinc/60/57/07/600605707.db2.gz QPAWJRIAJSIWQB-PKOBYXMFSA-N -1 0 337.419 3.556 20 0 EHADRM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cccc(C(=O)[O-])c1 ZINC000237220604 600608763 /nfs/dbraw/zinc/60/87/63/600608763.db2.gz DXRWSWYWKNPSGC-BDJLRTHQSA-N -1 0 347.798 3.544 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2ccc(F)cc2)CC2CC2)cc1 ZINC000237965200 600609748 /nfs/dbraw/zinc/60/97/48/600609748.db2.gz CRZINIBKBAEBCY-UHFFFAOYSA-N -1 0 327.355 3.576 20 0 EHADRM Cc1cccc2sc(C(=O)N[C@@](C)(C(=O)[O-])C3CC3)c(Cl)c21 ZINC000678984098 600611794 /nfs/dbraw/zinc/61/17/94/600611794.db2.gz PRWPWSWUBRIVEM-MRXNPFEDSA-N -1 0 337.828 3.846 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C[C@@H](C)c1cccnc1 ZINC000736486859 600615720 /nfs/dbraw/zinc/61/57/20/600615720.db2.gz GTLFGNVZQUQMSO-CYBMUJFWSA-N -1 0 342.395 3.699 20 0 EHADRM C[C@H](Oc1cccc(F)c1)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000322873649 600619546 /nfs/dbraw/zinc/61/95/46/600619546.db2.gz ZCMYYLIKFYFAOT-VIFPVBQESA-N -1 0 337.734 3.583 20 0 EHADRM O=C([O-])[C@H](OC(=O)Cc1c[nH]c2ccc(Cl)cc12)c1ccccc1 ZINC000739339560 600619793 /nfs/dbraw/zinc/61/97/93/600619793.db2.gz ZUNQKLMSLUMAND-QGZVFWFLSA-N -1 0 343.766 3.733 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)CN(C)C(=O)[O-])[C@@H]1CCC[C@H](C)C1 ZINC000738758220 600623869 /nfs/dbraw/zinc/62/38/69/600623869.db2.gz LREFCFIKARGOCU-JCKWVBRZSA-N -1 0 332.444 3.588 20 0 EHADRM CC(C)(C)Oc1ccccc1NCC(=O)Nc1ccccc1C(=O)[O-] ZINC000736285297 600626653 /nfs/dbraw/zinc/62/66/53/600626653.db2.gz CDTRUWQXQFXVIZ-UHFFFAOYSA-N -1 0 342.395 3.613 20 0 EHADRM CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)c1ccc(C(=O)[O-])nc1 ZINC000236709780 600633763 /nfs/dbraw/zinc/63/37/63/600633763.db2.gz QXHYRBWQEQNVEV-INIZCTEOSA-N -1 0 346.814 3.903 20 0 EHADRM Cc1cc(OS(=O)(=O)c2ccc(CC(=O)[O-])cc2)ccc1C(C)C ZINC000738474076 600644756 /nfs/dbraw/zinc/64/47/56/600644756.db2.gz JMOILYLUODEKNU-UHFFFAOYSA-N -1 0 348.420 3.513 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c1 ZINC000675983003 600645150 /nfs/dbraw/zinc/64/51/50/600645150.db2.gz FITJWNCVHUNOBF-BBRMVZONSA-N -1 0 335.444 3.501 20 0 EHADRM CN(C(=O)[O-])c1ccccc1C(=O)OCc1ccc2c(c1)CCC2 ZINC000737335467 600648853 /nfs/dbraw/zinc/64/88/53/600648853.db2.gz ICNUBRKKWWYTRW-UHFFFAOYSA-N -1 0 325.364 3.647 20 0 EHADRM CCc1ccc([C@H]2CCCCCN2C(=O)NCCCCC(=O)[O-])o1 ZINC000666562382 600652847 /nfs/dbraw/zinc/65/28/47/600652847.db2.gz RHYXGYAJVXSBBQ-OAHLLOKOSA-N -1 0 336.432 3.724 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)ccc2o1 ZINC000179964790 600655283 /nfs/dbraw/zinc/65/52/83/600655283.db2.gz FQWLTUDSPUZBQR-VXGBXAGGSA-N -1 0 344.411 3.955 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000236803365 600659940 /nfs/dbraw/zinc/65/99/40/600659940.db2.gz XGCUNZVMBPTJDJ-OALUTQOASA-N -1 0 337.419 3.928 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)C1 ZINC000245698949 600664040 /nfs/dbraw/zinc/66/40/40/600664040.db2.gz LKLZKVFCUHQWNY-FRQCXROJSA-N -1 0 341.451 3.946 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCCC[C@H]2Cc2ccccc2)C1 ZINC000262532934 600664379 /nfs/dbraw/zinc/66/43/79/600664379.db2.gz ITNAEBXDVVJYTA-KSZLIROESA-N -1 0 329.440 3.501 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000736562989 600671682 /nfs/dbraw/zinc/67/16/82/600671682.db2.gz UPCLZSFCXRKQKX-RDTXWAMCSA-N -1 0 343.398 3.679 20 0 EHADRM COc1ccc(CNc2ccc3ccc(F)cc3n2)cc1C(=O)[O-] ZINC000738008833 600671884 /nfs/dbraw/zinc/67/18/84/600671884.db2.gz RDOMJRSPTOXROU-UHFFFAOYSA-N -1 0 326.327 3.693 20 0 EHADRM CC(C)COc1cccc(C(=O)Oc2ccccc2CC(=O)[O-])c1 ZINC000736448158 600675881 /nfs/dbraw/zinc/67/58/81/600675881.db2.gz ICKNQYOWWBWFLA-UHFFFAOYSA-N -1 0 328.364 3.568 20 0 EHADRM Cc1sc(-c2ccco2)nc1C(=O)Oc1ccccc1CC(=O)[O-] ZINC000738991049 600677013 /nfs/dbraw/zinc/67/70/13/600677013.db2.gz WVTLZSBVIRRACK-UHFFFAOYSA-N -1 0 343.360 3.558 20 0 EHADRM C[C@H](c1ccccc1)N(CC1CCC1)C(=S)NCCCC(=O)[O-] ZINC000736725576 600687639 /nfs/dbraw/zinc/68/76/39/600687639.db2.gz VFXGGENOYYAJCQ-CQSZACIVSA-N -1 0 334.485 3.589 20 0 EHADRM CC(C)C[C@@H](C(=O)N(C)c1nc(CC(=O)[O-])cs1)c1ccccc1 ZINC000736401107 600689336 /nfs/dbraw/zinc/68/93/36/600689336.db2.gz CATKWOIGOCIMGZ-OAHLLOKOSA-N -1 0 346.452 3.563 20 0 EHADRM CC[C@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1cc(F)ccc1F ZINC000236997430 600691189 /nfs/dbraw/zinc/69/11/89/600691189.db2.gz RDXLTYOZDUIKEE-KRWDZBQOSA-N -1 0 347.361 3.863 20 0 EHADRM Cc1ccc(C(=O)CCc2nc(-c3cccc(C(=O)[O-])c3)no2)cc1 ZINC000832911915 600695661 /nfs/dbraw/zinc/69/56/61/600695661.db2.gz RUBZBDSRBMXLAX-UHFFFAOYSA-N -1 0 336.347 3.559 20 0 EHADRM C[C@H](OC(=O)[C@H]1C[C@H]1c1cccc(F)c1F)c1ccc(C(=O)[O-])o1 ZINC000827818280 600695800 /nfs/dbraw/zinc/69/58/00/600695800.db2.gz RMOBMVASSBQNDN-LSJOCFKGSA-N -1 0 336.290 3.664 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)cc1 ZINC000833315688 600695821 /nfs/dbraw/zinc/69/58/21/600695821.db2.gz VPCOUZGCZPXGNU-ZFWWWQNUSA-N -1 0 332.302 3.510 20 0 EHADRM CC1=NN(c2ccc(-c3nc(-c4cccc(C(=O)[O-])c4)no3)cc2)CC1 ZINC000828142001 600696389 /nfs/dbraw/zinc/69/63/89/600696389.db2.gz DPIHDZXJCHCHIL-UHFFFAOYSA-N -1 0 348.362 3.688 20 0 EHADRM CN(C)c1ccc([C@H]2C[C@@H]2c2nc(-c3cccc(C(=O)[O-])c3)no2)cc1 ZINC000830634761 600700011 /nfs/dbraw/zinc/70/00/11/600700011.db2.gz AKRJFYNXULQGDZ-SJORKVTESA-N -1 0 349.390 3.772 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000740045683 600700482 /nfs/dbraw/zinc/70/04/82/600700482.db2.gz JKJVQYMKJPZMKZ-QMTHXVAHSA-N -1 0 348.761 3.855 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000827427322 600721527 /nfs/dbraw/zinc/72/15/27/600721527.db2.gz FJXUQYQYHFBDIP-PXAZEXFGSA-N -1 0 348.345 3.903 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000827427582 600721749 /nfs/dbraw/zinc/72/17/49/600721749.db2.gz LGLMFFGOKMXPCA-NEPJUHHUSA-N -1 0 334.343 3.990 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)OCc2c(F)cccc2Cl)cc1O ZINC000833283356 600729419 /nfs/dbraw/zinc/72/94/19/600729419.db2.gz FCHNIGPVVQSKRJ-UHFFFAOYSA-N -1 0 339.706 3.632 20 0 EHADRM COc1ccccc1CN[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000832618570 600732245 /nfs/dbraw/zinc/73/22/45/600732245.db2.gz YPBKYEULQJTGRA-HNNXBMFYSA-N -1 0 340.206 3.918 20 0 EHADRM C[C@@H](Nc1ccc(OCC(=O)[O-])cc1)c1ccc(OC(F)F)cc1 ZINC000827773427 600738001 /nfs/dbraw/zinc/73/80/01/600738001.db2.gz LOXQWRQHIZMIIU-LLVKDONJSA-N -1 0 337.322 3.925 20 0 EHADRM Cc1ccc2c(CCC(=O)O[C@@H](C(=O)[O-])c3ccccc3)c[nH]c2c1 ZINC000832959528 600741039 /nfs/dbraw/zinc/74/10/39/600741039.db2.gz HMBCOMKAXZYKGM-LJQANCHMSA-N -1 0 337.375 3.778 20 0 EHADRM C[C@@H](CCOc1ccccc1)C(=O)OCc1cccc(C(=O)[O-])c1 ZINC000827422140 600742145 /nfs/dbraw/zinc/74/21/45/600742145.db2.gz MLXNFRVJISIMLW-AWEZNQCLSA-N -1 0 328.364 3.533 20 0 EHADRM CC[C@H](NC(=O)NC1CCC(C(=O)[O-])CC1)C(C)(C)c1ccccc1 ZINC000263269184 600747013 /nfs/dbraw/zinc/74/70/13/600747013.db2.gz RJFSVBQCWQWCSC-PREGVCBESA-N -1 0 346.471 3.685 20 0 EHADRM CC[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C1 ZINC000736938913 600747502 /nfs/dbraw/zinc/74/75/02/600747502.db2.gz AMRQLKDVKZYAEC-CZUORRHYSA-N -1 0 333.432 3.887 20 0 EHADRM Cc1ccnc(-c2cccc(N[C@@H](C(=O)[O-])c3ccccc3F)c2)n1 ZINC000832983425 600750439 /nfs/dbraw/zinc/75/04/39/600750439.db2.gz VYNFNFNBDZCMND-QGZVFWFLSA-N -1 0 337.354 3.829 20 0 EHADRM CCCc1c(C(=O)Nc2cc([C@H](C)CCC)[nH]n2)[nH]c(C)c1C(=O)[O-] ZINC000829562638 600773777 /nfs/dbraw/zinc/77/37/77/600773777.db2.gz NPNFHHYULHGJHR-SNVBAGLBSA-N -1 0 346.431 3.853 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@@H]2C[C@]23CCc2ccccc23)cc1 ZINC000263239396 600776033 /nfs/dbraw/zinc/77/60/33/600776033.db2.gz DQOBTDZPAFWBMV-AVRDEDQJSA-N -1 0 349.430 3.891 20 0 EHADRM Cc1ccc(N(C(C)C)S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000832934669 600781606 /nfs/dbraw/zinc/78/16/06/600781606.db2.gz HIPRMFNSRKMOFB-UHFFFAOYSA-N -1 0 347.436 3.605 20 0 EHADRM Cc1c(NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)cccc1C(=O)[O-] ZINC000678975797 600784444 /nfs/dbraw/zinc/78/44/44/600784444.db2.gz OXUQPUDMMPYGPD-LAUBAEHRSA-N -1 0 335.403 3.926 20 0 EHADRM CCC(CC)(C(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000236875030 600785289 /nfs/dbraw/zinc/78/52/89/600785289.db2.gz VCOFDKLDMRFMSA-UHFFFAOYSA-N -1 0 341.407 3.847 20 0 EHADRM O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)C=C1CCCCC1 ZINC000767039243 600797287 /nfs/dbraw/zinc/79/72/87/600797287.db2.gz MYTRTNGHYUMXTR-UHFFFAOYSA-N -1 0 337.366 3.659 20 0 EHADRM C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1)c1cccc(F)c1 ZINC000776671974 600801309 /nfs/dbraw/zinc/80/13/09/600801309.db2.gz GOYPPOGYXLPUAX-ZBEGNZNMSA-N -1 0 349.789 3.915 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C=C(C1CC1)C1CC1)c1cccc(Cl)c1 ZINC000776676336 600805844 /nfs/dbraw/zinc/80/58/44/600805844.db2.gz FCIWXQQOTQRJOS-INIZCTEOSA-N -1 0 333.815 3.718 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)c2cccc3cnccc32)c1 ZINC000833316611 600807782 /nfs/dbraw/zinc/80/77/82/600807782.db2.gz AYOYYBUTPKGDKC-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM C[C@H]1CCN(C(=O)CCc2ccc(C(=O)[O-])cc2)[C@H](c2ccco2)C1 ZINC000237702933 600808849 /nfs/dbraw/zinc/80/88/49/600808849.db2.gz OUDIXIXUZMNGSX-YOEHRIQHSA-N -1 0 341.407 3.910 20 0 EHADRM Cc1cccc([C@H](C)CNC(=O)Nc2ccc(CC(=O)[O-])cc2)c1 ZINC000738691169 600809876 /nfs/dbraw/zinc/80/98/76/600809876.db2.gz MJLMNKTYXHEZIA-CQSZACIVSA-N -1 0 326.396 3.547 20 0 EHADRM Cc1cc(NC(=S)N[C@@H]2CCOc3ccccc32)sc1C(=O)[O-] ZINC000738241756 600819315 /nfs/dbraw/zinc/81/93/15/600819315.db2.gz ZJAMWVHNJOYXHB-LLVKDONJSA-N -1 0 348.449 3.565 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=S)Nc2ccccc2F)cc1 ZINC000736232222 600820937 /nfs/dbraw/zinc/82/09/37/600820937.db2.gz JLYAZLPVABBXOM-UHFFFAOYSA-N -1 0 332.400 3.997 20 0 EHADRM Cc1ccc(CS[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)cc1 ZINC000832934255 600825072 /nfs/dbraw/zinc/82/50/72/600825072.db2.gz MZQDGUMEUWBZBJ-AWEZNQCLSA-N -1 0 347.461 3.793 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)ccc1F ZINC000740082088 600829829 /nfs/dbraw/zinc/82/98/29/600829829.db2.gz UQTBDPQAZRUIMJ-QWRGUYRKSA-N -1 0 335.281 3.544 20 0 EHADRM C[C@H](CC(=O)NC1(C(=O)[O-])CCCC1)c1ccccc1C(F)(F)F ZINC000237592491 600830659 /nfs/dbraw/zinc/83/06/59/600830659.db2.gz QFVHPTLNIQTXNK-LLVKDONJSA-N -1 0 343.345 3.713 20 0 EHADRM Cc1cc(N)nc(S[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)n1 ZINC000832888458 600835357 /nfs/dbraw/zinc/83/53/57/600835357.db2.gz JGFRKQHHRFONHG-LLVKDONJSA-N -1 0 344.223 3.592 20 0 EHADRM Cc1cc(N)nc(S[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)n1 ZINC000832888466 600835462 /nfs/dbraw/zinc/83/54/62/600835462.db2.gz JGFRKQHHRFONHG-NSHDSACASA-N -1 0 344.223 3.592 20 0 EHADRM O=C([O-])[C@@H](Sc1nccc(C(F)(F)F)n1)c1ccccc1F ZINC000833169648 600836545 /nfs/dbraw/zinc/83/65/45/600836545.db2.gz LPSKOXBCVITBGU-JTQLQIEISA-N -1 0 332.278 3.553 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)ccc1C(=O)[O-] ZINC000237815320 600838999 /nfs/dbraw/zinc/83/89/99/600838999.db2.gz OXMUKBBODWNWLM-UONOGXRCSA-N -1 0 331.318 3.714 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)cc1 ZINC000238047499 600839609 /nfs/dbraw/zinc/83/96/09/600839609.db2.gz LFNHWBQBTPFPTO-ZBFHGGJFSA-N -1 0 345.345 3.724 20 0 EHADRM COC(=O)[C@H](SC[C@H](C)C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000831083768 600840122 /nfs/dbraw/zinc/84/01/22/600840122.db2.gz BVCAFVLPWNXSDM-WRWORJQWSA-N -1 0 337.224 3.661 20 0 EHADRM Cc1cccc2c(CCC(=O)N3C[C@@H](C(=O)[O-])c4ccccc43)c[nH]c21 ZINC000192945355 600841517 /nfs/dbraw/zinc/84/15/17/600841517.db2.gz GAJPTJJYGRUQEA-QGZVFWFLSA-N -1 0 348.402 3.624 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000740017066 600845071 /nfs/dbraw/zinc/84/50/71/600845071.db2.gz LVDLAEVAZBJFCG-IAGOWNOFSA-N -1 0 330.428 3.652 20 0 EHADRM O=C([O-])c1occc1CSc1nnc(CCCc2ccccc2)o1 ZINC000833345460 600845095 /nfs/dbraw/zinc/84/50/95/600845095.db2.gz AERWTZLMLDXIRZ-UHFFFAOYSA-N -1 0 344.392 3.828 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)c2cccc(C(F)F)c2)c2ccccc21 ZINC000739646281 600847414 /nfs/dbraw/zinc/84/74/14/600847414.db2.gz JAFOPYZTZWRAFN-CYBMUJFWSA-N -1 0 331.318 3.843 20 0 EHADRM CC(C)(CC(=O)N1C[C@H](CC(=O)[O-])c2ccccc21)c1ccccc1 ZINC000736310042 600848852 /nfs/dbraw/zinc/84/88/52/600848852.db2.gz KVKOHMDTLCCATN-HNNXBMFYSA-N -1 0 337.419 3.959 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)c2ccc3ncsc3c2)c2ccccc21 ZINC000325294727 600850052 /nfs/dbraw/zinc/85/00/52/600850052.db2.gz NVUQOQPCAXUPSU-LBPRGKRZSA-N -1 0 338.388 3.515 20 0 EHADRM COc1ccc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)c(Cl)c1 ZINC000737920920 600850786 /nfs/dbraw/zinc/85/07/86/600850786.db2.gz OUBNPLNGFIRXME-NSHDSACASA-N -1 0 345.782 3.567 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000262273801 600853659 /nfs/dbraw/zinc/85/36/59/600853659.db2.gz IYTYTXFZEXECNC-COXVUDFISA-N -1 0 333.428 3.626 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)C1(C)C ZINC000736344029 600855085 /nfs/dbraw/zinc/85/50/85/600855085.db2.gz QUWWZEWJMGWXIF-SIIHOXLZSA-N -1 0 327.424 3.830 20 0 EHADRM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)NCCCCCCC(=O)[O-])cc1 ZINC000262893623 600857311 /nfs/dbraw/zinc/85/73/11/600857311.db2.gz ANOJERXATKYVCF-PKOBYXMFSA-N -1 0 347.455 3.614 20 0 EHADRM C/C(=C/C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1)C(C)(C)C ZINC000236635248 600858737 /nfs/dbraw/zinc/85/87/37/600858737.db2.gz VOCMXMOZWPXCDM-XFXZXTDPSA-N -1 0 340.423 3.743 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)c2ccc(Cl)cc2F)c2ccccc21 ZINC000390841014 600860388 /nfs/dbraw/zinc/86/03/88/600860388.db2.gz AZYOIJPHLSTCKJ-JTQLQIEISA-N -1 0 333.746 3.698 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)/C=C/Sc2ccccc2)c2ccccc21 ZINC000739640707 600860844 /nfs/dbraw/zinc/86/08/44/600860844.db2.gz GUGQNBBFHHKWMY-VNDWYCCKSA-N -1 0 339.416 3.898 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000183953722 600868969 /nfs/dbraw/zinc/86/89/69/600868969.db2.gz OQCATLAZMGJTAH-VHSXEESVSA-N -1 0 329.368 3.831 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)/C=C(/C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000828710456 600869022 /nfs/dbraw/zinc/86/90/22/600869022.db2.gz YDNBBPVBQNAACL-ANYQOJIUSA-N -1 0 343.345 3.724 20 0 EHADRM C[C@H](CC(=O)O[C@H](C)c1ccc(C(=O)[O-])o1)C(=O)c1cccc(F)c1 ZINC000827391758 600869150 /nfs/dbraw/zinc/86/91/50/600869150.db2.gz JWHDPKAAPDTKBM-GHMZBOCLSA-N -1 0 348.326 3.630 20 0 EHADRM CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000320692647 600871075 /nfs/dbraw/zinc/87/10/75/600871075.db2.gz MUDUTGJQYBGMSB-QWRGUYRKSA-N -1 0 344.238 3.843 20 0 EHADRM CN(Cc1cccc(Cl)c1Cl)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000390268938 600871553 /nfs/dbraw/zinc/87/15/53/600871553.db2.gz JXXCZIGYBLCIKX-WDEREUQCSA-N -1 0 344.238 3.843 20 0 EHADRM C[C@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)CC1CCC1 ZINC000827956507 600871951 /nfs/dbraw/zinc/87/19/51/600871951.db2.gz HRHXENGGAVQJSC-CYBMUJFWSA-N -1 0 342.395 3.653 20 0 EHADRM CC1CCN(c2ccc(NC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)cc2)CC1 ZINC000327904590 600872263 /nfs/dbraw/zinc/87/22/63/600872263.db2.gz FDPDNODQALJKQQ-JKSUJKDBSA-N -1 0 344.455 3.752 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)c1OC ZINC000262512460 600874727 /nfs/dbraw/zinc/87/47/27/600874727.db2.gz PEAOFJAORNXWEZ-KGLIPLIRSA-N -1 0 347.411 3.557 20 0 EHADRM Cc1cc2cc(C(=O)N3C[C@@H](C(=O)[O-])c4ccccc43)oc2cc1C ZINC000192941164 600882183 /nfs/dbraw/zinc/88/21/83/600882183.db2.gz RRAXAAONVAHLCN-OAHLLOKOSA-N -1 0 335.359 3.878 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2ccc(OC3CCC3)cc2)c1 ZINC000832179023 600882984 /nfs/dbraw/zinc/88/29/84/600882984.db2.gz POHIMNYPXOLMPN-UHFFFAOYSA-N -1 0 341.363 3.577 20 0 EHADRM Cc1cc(F)cc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c1 ZINC000237660703 600883432 /nfs/dbraw/zinc/88/34/32/600883432.db2.gz MTVCMWXWEPCQOC-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM Cc1ccc(CCC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC000261617029 600883501 /nfs/dbraw/zinc/88/35/01/600883501.db2.gz FPTFEJVQIWUTPB-UHFFFAOYSA-N -1 0 325.408 3.929 20 0 EHADRM CN(Cc1ccc(NC(=O)c2cccc(F)c2Cl)cc1)C(=O)[O-] ZINC000830836548 600888375 /nfs/dbraw/zinc/88/83/75/600888375.db2.gz YPBGMMKSZPAPFK-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)N(CC(=O)[O-])c1ccccc1 ZINC000337738347 600888732 /nfs/dbraw/zinc/88/87/32/600888732.db2.gz JZIIERZKFBIOKG-CQSZACIVSA-N -1 0 329.371 3.512 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cc2c(Cl)cccc2Cl)s1 ZINC000035425657 600898346 /nfs/dbraw/zinc/89/83/46/600898346.db2.gz DBIHEZSHWJAHFO-UHFFFAOYSA-N -1 0 330.192 3.934 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)c2cc(Cl)c(Cl)[nH]2)c2ccccc21 ZINC000317172195 600908905 /nfs/dbraw/zinc/90/89/05/600908905.db2.gz WISIFHQLAZRMOF-QMMMGPOBSA-N -1 0 339.178 3.540 20 0 EHADRM Cc1[nH]c2ccccc2c1C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000327196524 600910053 /nfs/dbraw/zinc/91/00/53/600910053.db2.gz NWVWIAVRDFTGOU-CYBMUJFWSA-N -1 0 334.375 3.695 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)c2cc3c(cccc3F)[nH]2)c2ccccc21 ZINC000739645962 600912317 /nfs/dbraw/zinc/91/23/17/600912317.db2.gz IDIDCCBDJHRVPC-LLVKDONJSA-N -1 0 338.338 3.526 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2cc(F)ccc2N2CCCCC2)C1 ZINC000833185983 600924703 /nfs/dbraw/zinc/92/47/03/600924703.db2.gz JJSOTLUNNSHFJT-ZIAGYGMSSA-N -1 0 348.418 3.646 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CC[C@@H](CSc3ccccc3)C2)s1 ZINC000238000514 600930628 /nfs/dbraw/zinc/93/06/28/600930628.db2.gz WKGVBGVOPITMNK-GFCCVEGCSA-N -1 0 347.461 3.701 20 0 EHADRM Cc1cccc([C@@H]2CCCCN2C(=O)c2cccc(C(=O)[O-])n2)c1C ZINC000362538690 600932643 /nfs/dbraw/zinc/93/26/43/600932643.db2.gz YAZVWMKUCVLPIK-SFHVURJKSA-N -1 0 338.407 3.764 20 0 EHADRM O=C([O-])CCN(C(=O)CCc1ccc(Cl)cc1)c1cccc(F)c1 ZINC000739712074 600938694 /nfs/dbraw/zinc/93/86/94/600938694.db2.gz NRTUBNTYJMEBJQ-UHFFFAOYSA-N -1 0 349.789 3.920 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OC(=O)[C@@H]1SCCc2ccccc21 ZINC000832918489 600940620 /nfs/dbraw/zinc/94/06/20/600940620.db2.gz JEPXXISATSSYER-MRXNPFEDSA-N -1 0 328.389 3.629 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)N3C[C@@H](C(=O)[O-])c4ccccc43)c2c1 ZINC000192934717 600945725 /nfs/dbraw/zinc/94/57/25/600945725.db2.gz SBUOXTJECPWBHO-QGZVFWFLSA-N -1 0 348.402 3.624 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000829009793 600946130 /nfs/dbraw/zinc/94/61/30/600946130.db2.gz QFLFSLNRXBVWLW-QRTARXTBSA-N -1 0 334.412 3.593 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cnc2ccsc2c1)c1cccc(Cl)c1 ZINC000833349367 600948693 /nfs/dbraw/zinc/94/86/93/600948693.db2.gz CJACSEXZUGNDIY-AWEZNQCLSA-N -1 0 347.779 3.932 20 0 EHADRM Cc1cccc(-c2nc(CC(=O)O[C@H](CC(C)C)C(=O)[O-])cs2)c1 ZINC000832960248 600949783 /nfs/dbraw/zinc/94/97/83/600949783.db2.gz FDRRNFPQOSTAAS-OAHLLOKOSA-N -1 0 347.436 3.704 20 0 EHADRM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccc(C(=O)[O-])c1 ZINC000236712894 600954009 /nfs/dbraw/zinc/95/40/09/600954009.db2.gz BIULLNVDSMRGQK-QGZVFWFLSA-N -1 0 329.371 3.521 20 0 EHADRM CCOc1ccc(OCCN2C[C@@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000393038894 600960017 /nfs/dbraw/zinc/96/00/17/600960017.db2.gz KHNCMGXISBCGAT-OAHLLOKOSA-N -1 0 341.407 3.543 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(F)cc1Cl ZINC000180015776 600961663 /nfs/dbraw/zinc/96/16/63/600961663.db2.gz JILNLGWKJJQFPT-AXFHLTTASA-N -1 0 327.783 3.547 20 0 EHADRM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ccc(C(=O)[O-])s2)o1 ZINC000237704491 600962159 /nfs/dbraw/zinc/96/21/59/600962159.db2.gz UDEJXOZTJITCPW-CMPLNLGQSA-N -1 0 333.409 3.961 20 0 EHADRM O=C([O-])C[C@@H]1CN(Cc2cc(-c3cccs3)on2)c2ccccc21 ZINC000391675289 600964872 /nfs/dbraw/zinc/96/48/72/600964872.db2.gz RWONGHGONIKTTE-GFCCVEGCSA-N -1 0 340.404 3.982 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)sc1C(=O)[O-] ZINC000832892763 600965610 /nfs/dbraw/zinc/96/56/10/600965610.db2.gz DLAYYRRBTFVANF-SCLBCKFNSA-N -1 0 327.405 3.597 20 0 EHADRM Cc1cc(NC(=O)[C@H]2C[C@]23CCCc2ccccc23)sc1C(=O)[O-] ZINC000832892781 600965643 /nfs/dbraw/zinc/96/56/43/600965643.db2.gz DYKFVDXFENHFIQ-KUHUBIRLSA-N -1 0 341.432 3.987 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000766844491 600968230 /nfs/dbraw/zinc/96/82/30/600968230.db2.gz VJSZHHJZOKTEFG-CYBMUJFWSA-N -1 0 341.382 3.682 20 0 EHADRM CCC[C@H](CCc1ccccc1)NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000498648431 600968491 /nfs/dbraw/zinc/96/84/91/600968491.db2.gz GXOPSIVYIFMLAC-OKZBNKHCSA-N -1 0 331.456 3.795 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccc(CC(F)(F)F)cc2)C1 ZINC000180010611 600968517 /nfs/dbraw/zinc/96/85/17/600968517.db2.gz ZGOMIMQQLZOADJ-NWDGAFQWSA-N -1 0 329.318 3.621 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000829009299 600968577 /nfs/dbraw/zinc/96/85/77/600968577.db2.gz AXBYVLOIRYOGSY-HPBDAGMYSA-N -1 0 347.455 3.693 20 0 EHADRM Cc1oc(CSCC(=O)N(C)CC2CCCCC2)cc1C(=O)[O-] ZINC000833026304 600969120 /nfs/dbraw/zinc/96/91/20/600969120.db2.gz GBKIILBIYNCHLN-UHFFFAOYSA-N -1 0 339.457 3.558 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cccc(F)c2Cl)c(F)cc1F ZINC000316909234 600969188 /nfs/dbraw/zinc/96/91/88/600969188.db2.gz VFZAOOSYUTUJTN-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NC2CC(c3cccc(Cl)c3)C2)C1 ZINC000779430361 600971451 /nfs/dbraw/zinc/97/14/51/600971451.db2.gz PEEZDNKNPYSMHY-RNDNHVFHSA-N -1 0 335.831 3.593 20 0 EHADRM Cc1ccc(C(C)(C)CN(C)C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000192971496 600973377 /nfs/dbraw/zinc/97/33/77/600973377.db2.gz HKBVMDNYTIYOJW-HZPDHXFCSA-N -1 0 331.456 3.622 20 0 EHADRM CCOc1c(F)cccc1C(=O)N(c1ccccc1)[C@H](CC)C(=O)[O-] ZINC000830027210 600973635 /nfs/dbraw/zinc/97/36/35/600973635.db2.gz RANKSHLBCXGNDW-MRXNPFEDSA-N -1 0 345.370 3.734 20 0 EHADRM CN(Cc1ccc(OC(F)F)cc1)[C@H](C(=O)[O-])c1ccccc1F ZINC000830840106 600981669 /nfs/dbraw/zinc/98/16/69/600981669.db2.gz KMLTUYMPQJZPBP-HNNXBMFYSA-N -1 0 339.313 3.685 20 0 EHADRM Cc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000087741786 600992790 /nfs/dbraw/zinc/99/27/90/600992790.db2.gz BPIUNSXBRYZOEM-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM O=C([O-])[C@H](CNC(=O)Nc1cccc2ccccc21)c1ccccc1 ZINC000327523539 600994514 /nfs/dbraw/zinc/99/45/14/600994514.db2.gz SXDZYRNIPDURMF-QGZVFWFLSA-N -1 0 334.375 3.830 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000320178335 600995591 /nfs/dbraw/zinc/99/55/91/600995591.db2.gz RUXIDJVVFCBDGV-AWEZNQCLSA-N -1 0 332.787 3.638 20 0 EHADRM Cc1noc(C(F)F)c1C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000833019418 600995821 /nfs/dbraw/zinc/99/58/21/600995821.db2.gz KNSTZWNRUXFQRX-UHFFFAOYSA-N -1 0 330.674 3.525 20 0 EHADRM Cc1oc(COC(=O)c2ncoc2-c2ccc(C)cc2)cc1C(=O)[O-] ZINC000738493855 600997848 /nfs/dbraw/zinc/99/78/48/600997848.db2.gz HAIXPEXGCFSPEB-UHFFFAOYSA-N -1 0 341.319 3.607 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@H]2CCSc3ccccc32)cc1 ZINC000739877480 601000857 /nfs/dbraw/zinc/00/08/57/601000857.db2.gz PSHMKJLGIUGENR-HNNXBMFYSA-N -1 0 327.405 3.532 20 0 EHADRM CCC[C@](C)(NC(=O)[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000736955002 601002280 /nfs/dbraw/zinc/00/22/80/601002280.db2.gz WMVDXJQGUDJPSG-BMIGLBTASA-N -1 0 331.334 3.569 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)c2cnc3ccsc3c2)cc1 ZINC000737335835 601005711 /nfs/dbraw/zinc/00/57/11/601005711.db2.gz KKGSZKOTSVKWFQ-UHFFFAOYSA-N -1 0 327.365 3.663 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)c2cc3cccc(F)c3o2)cc1 ZINC000737335195 601005734 /nfs/dbraw/zinc/00/57/34/601005734.db2.gz DKZYGSBSMMAXPY-UHFFFAOYSA-N -1 0 328.299 3.938 20 0 EHADRM CC[C@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000828901549 601006455 /nfs/dbraw/zinc/00/64/55/601006455.db2.gz WFWBRGJJFKOLET-QGZVFWFLSA-N -1 0 326.396 3.870 20 0 EHADRM C[C@@H](C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-])c1cccc(F)c1 ZINC000485745005 601007238 /nfs/dbraw/zinc/00/72/38/601007238.db2.gz QPVGKLUZABDSQR-LSDHHAIUSA-N -1 0 343.398 3.679 20 0 EHADRM COc1ccc2sc(C(=O)Nc3cc(C)[nH]c3C(=O)[O-])c(C)c2c1 ZINC000738078364 601010221 /nfs/dbraw/zinc/01/02/21/601010221.db2.gz DPYTVZGHABMHKL-UHFFFAOYSA-N -1 0 344.392 3.805 20 0 EHADRM C[C@H](C(=O)Nc1ccc(OCCCC(=O)[O-])cc1)c1cccc(F)c1 ZINC000237457718 601011219 /nfs/dbraw/zinc/01/12/19/601011219.db2.gz OWKJTTMCWFAYBZ-ZDUSSCGKSA-N -1 0 345.370 3.812 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1ccc(OC)cc1C)c1ccccc1 ZINC000736850892 601011588 /nfs/dbraw/zinc/01/15/88/601011588.db2.gz MIRIDTCFDJAZQW-KRWDZBQOSA-N -1 0 327.380 3.514 20 0 EHADRM CCO[C@H]1C[C@@H](NC(=O)Nc2cccc(C(=O)[O-])c2C)C12CCCC2 ZINC000829926817 601015513 /nfs/dbraw/zinc/01/55/13/601015513.db2.gz ZXBHGTBSVPKIMF-CVEARBPZSA-N -1 0 346.427 3.553 20 0 EHADRM C[C@@H]1CN([C@@H](C(=O)[O-])c2ccccc2F)C[C@@H](c2ccc(F)cc2)O1 ZINC000568642085 601017044 /nfs/dbraw/zinc/01/70/44/601017044.db2.gz XEWQPNXNABPUGK-OCBCSQNSSA-N -1 0 347.361 3.553 20 0 EHADRM CC(C)c1cccc(O[C@H](C)C(=O)Oc2ccccc2CC(=O)[O-])c1 ZINC000736703313 601021811 /nfs/dbraw/zinc/02/18/11/601021811.db2.gz CPKPADWSQWFFSJ-CQSZACIVSA-N -1 0 342.391 3.810 20 0 EHADRM C[C@H](CNC(=O)Nc1cccc(NC(=O)[O-])c1)Oc1ccc(F)cc1 ZINC000827492884 601022976 /nfs/dbraw/zinc/02/29/76/601022976.db2.gz INGAHEIVTTYYCS-LLVKDONJSA-N -1 0 347.346 3.505 20 0 EHADRM C[C@@H](CC(=O)N(CCC(=O)[O-])c1cccc(F)c1)c1cccc(F)c1 ZINC000736545936 601025875 /nfs/dbraw/zinc/02/58/75/601025875.db2.gz STCCJYJMEWWOMQ-ZDUSSCGKSA-N -1 0 347.361 3.966 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC000736621922 601026124 /nfs/dbraw/zinc/02/61/24/601026124.db2.gz GFTVKSMHHNIMLG-CYBMUJFWSA-N -1 0 347.361 3.651 20 0 EHADRM Cc1c(CSC(C)C)cccc1NC(=O)CCSCC(=O)[O-] ZINC000738287846 601030254 /nfs/dbraw/zinc/03/02/54/601030254.db2.gz GYBLIVXUARHCSS-UHFFFAOYSA-N -1 0 341.498 3.783 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1)C(=O)[O-] ZINC000736712440 601034261 /nfs/dbraw/zinc/03/42/61/601034261.db2.gz LTWFNQHFCYHRLH-ZQDZILKHSA-N -1 0 347.480 3.950 20 0 EHADRM CC(C)c1cnc(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)s1 ZINC000736522388 601034534 /nfs/dbraw/zinc/03/45/34/601034534.db2.gz FDMQEDJRXSJBMP-UHFFFAOYSA-N -1 0 343.408 3.558 20 0 EHADRM Cc1ccc(C(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)cc1Cl ZINC000738503957 601036005 /nfs/dbraw/zinc/03/60/05/601036005.db2.gz DTFMFADRUIRUAD-UHFFFAOYSA-N -1 0 336.800 3.612 20 0 EHADRM CC[C@H](C)C[C@@H](C)NC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000828741135 601041537 /nfs/dbraw/zinc/04/15/37/601041537.db2.gz ZSMBFWZNYOZYKM-QWHCGFSZSA-N -1 0 338.473 3.951 20 0 EHADRM O=C([O-])CCCCCNC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000238147961 601051669 /nfs/dbraw/zinc/05/16/69/601051669.db2.gz FZRCODZYPIYJMM-UONOGXRCSA-N -1 0 344.238 3.858 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1nc(Cl)ccc1Cl)c1ccccc1F ZINC000833351295 601059038 /nfs/dbraw/zinc/05/90/38/601059038.db2.gz KQOFMIIAQRQGOX-LBPRGKRZSA-N -1 0 344.125 3.510 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cccc3cnccc32)ccc1Cl ZINC000833299704 601059609 /nfs/dbraw/zinc/05/96/09/601059609.db2.gz GCAYYAMXPNMALY-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM CCC(C)(C)CC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000828609032 601059987 /nfs/dbraw/zinc/05/99/87/601059987.db2.gz KGRDSIHLRNJXTR-UHFFFAOYSA-N -1 0 328.412 3.577 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000236838755 601060387 /nfs/dbraw/zinc/06/03/87/601060387.db2.gz JILUYWSCVIOXMD-STQMWFEESA-N -1 0 344.238 3.857 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1cccc2cnccc21)C(=O)[O-] ZINC000827456637 601063626 /nfs/dbraw/zinc/06/36/26/601063626.db2.gz ZSMIHJVQMLMZFL-HNNXBMFYSA-N -1 0 348.402 3.598 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(N(C)C)cc2)cc1C(=O)[O-] ZINC000832941289 601065120 /nfs/dbraw/zinc/06/51/20/601065120.db2.gz IWHPCRPLWCQUDF-MSOLQXFVSA-N -1 0 338.407 3.501 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C)CCOc2ccccc2)ccc1C(=O)[O-] ZINC000237579031 601066162 /nfs/dbraw/zinc/06/61/62/601066162.db2.gz ZJONQTVVNOICJN-ZDUSSCGKSA-N -1 0 327.380 3.737 20 0 EHADRM CCN(C(=O)[C@@H](C)CCOc1ccccc1)c1ccccc1C(=O)[O-] ZINC000829590910 601068688 /nfs/dbraw/zinc/06/86/88/601068688.db2.gz JJLLNTPKQFHWCD-HNNXBMFYSA-N -1 0 341.407 3.843 20 0 EHADRM Cc1ccc2c(CCC(=O)N(CC(=O)[O-])c3ccccc3)c[nH]c2c1 ZINC000832959897 601069038 /nfs/dbraw/zinc/06/90/38/601069038.db2.gz KPDQCMWZRMEXGM-UHFFFAOYSA-N -1 0 336.391 3.527 20 0 EHADRM CC(C)(C(=O)NC[C@@H](C(=O)[O-])c1ccccc1)c1ccc(Cl)cc1 ZINC000262870601 601073395 /nfs/dbraw/zinc/07/33/95/601073395.db2.gz XPNCOEPVCUHKOD-MRXNPFEDSA-N -1 0 345.826 3.602 20 0 EHADRM CC[C@@H](CC(=O)NC[C@H](C(=O)[O-])c1ccccc1)c1ccc(C)cc1 ZINC000262405221 601074629 /nfs/dbraw/zinc/07/46/29/601074629.db2.gz APYNIZOAFOCUBV-LPHOPBHVSA-N -1 0 339.435 3.863 20 0 EHADRM Cc1c(NC(=O)c2ccc(OCC(=O)[O-])cc2)sc2c1CCCC2 ZINC000659760067 601076587 /nfs/dbraw/zinc/07/65/87/601076587.db2.gz YVPLLTMCEDCYLB-UHFFFAOYSA-N -1 0 345.420 3.651 20 0 EHADRM CCn1cc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2F)c2ccccc21 ZINC000830419978 601076614 /nfs/dbraw/zinc/07/66/14/601076614.db2.gz LYFUBVHXHALRJF-QGZVFWFLSA-N -1 0 341.338 3.783 20 0 EHADRM C[C@@H](C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1)c1ccsc1 ZINC000826027138 601076903 /nfs/dbraw/zinc/07/69/03/601076903.db2.gz UHRQHYCTZVLAGL-MRVPVSSYSA-N -1 0 338.454 3.943 20 0 EHADRM Cc1ccc([C@H](C)C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)o1 ZINC000832923394 601077634 /nfs/dbraw/zinc/07/76/34/601077634.db2.gz IAOONNSIUGXKPA-VIFPVBQESA-N -1 0 336.413 3.782 20 0 EHADRM Cc1ccc(CC(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)cc1 ZINC000832929266 601078962 /nfs/dbraw/zinc/07/89/62/601078962.db2.gz PPMSORXCTYHRQJ-UHFFFAOYSA-N -1 0 332.425 3.628 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000827592471 601080377 /nfs/dbraw/zinc/08/03/77/601080377.db2.gz MMQMPSHCSOGWOH-LZQZEXGQSA-N -1 0 343.467 3.747 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1cccc(Cl)c1 ZINC000833179546 601081068 /nfs/dbraw/zinc/08/10/68/601081068.db2.gz ONGLGHRUSBQUJO-GDBMZVCRSA-N -1 0 335.831 3.836 20 0 EHADRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)c1cc2occc2s1 ZINC000833179357 601089708 /nfs/dbraw/zinc/08/97/08/601089708.db2.gz MZIBSCXPUJOSTK-QWHCGFSZSA-N -1 0 347.436 3.990 20 0 EHADRM Cc1ccsc1CNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000322353945 601089742 /nfs/dbraw/zinc/08/97/42/601089742.db2.gz UZDLSCDYSKJMPQ-UHFFFAOYSA-N -1 0 332.425 3.740 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NCc2ccc(F)cc2F)cc1 ZINC000393246263 601091729 /nfs/dbraw/zinc/09/17/29/601091729.db2.gz YIPKLZFYNOUZGT-UHFFFAOYSA-N -1 0 348.349 3.649 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NCCCOC2CCCC2)cc1 ZINC000826122684 601093350 /nfs/dbraw/zinc/09/33/50/601093350.db2.gz JRIRVXXBZRHFHH-UHFFFAOYSA-N -1 0 348.443 3.520 20 0 EHADRM Cc1[nH]c(C(=O)Nc2sc3c(c2C)CCCC3)c(C)c1C(=O)[O-] ZINC000738157540 601094401 /nfs/dbraw/zinc/09/44/01/601094401.db2.gz SUOCVIYREZNVQA-UHFFFAOYSA-N -1 0 332.425 3.831 20 0 EHADRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)c1cc2ccsc2[nH]1 ZINC000833178897 601094800 /nfs/dbraw/zinc/09/48/00/601094800.db2.gz KNBTXNUULUSSSN-DZGCQCFKSA-N -1 0 346.452 3.725 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)o1 ZINC000325369569 601095354 /nfs/dbraw/zinc/09/53/54/601095354.db2.gz SAHJJTUNHMLDOX-GFCCVEGCSA-N -1 0 330.384 3.833 20 0 EHADRM Cc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)cn1 ZINC000832918142 601096194 /nfs/dbraw/zinc/09/61/94/601096194.db2.gz GOVFINIVPCHVQT-ZDUSSCGKSA-N -1 0 340.162 3.680 20 0 EHADRM C/C(=C\CSc1nc2c(n1-c1ccccc1)CCCC2)C(=O)[O-] ZINC000736122523 601098084 /nfs/dbraw/zinc/09/80/84/601098084.db2.gz WIMOTJOEBDDVAT-ACCUITESSA-N -1 0 328.437 3.874 20 0 EHADRM C/C(=C/Cn1nc(C)nc1-c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000736121043 601099642 /nfs/dbraw/zinc/09/96/42/601099642.db2.gz IKRYGKGHAMTHHN-YVMONPNESA-N -1 0 326.183 3.591 20 0 EHADRM C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)[C@H]1c1cccc(F)c1 ZINC000245737740 601107672 /nfs/dbraw/zinc/10/76/72/601107672.db2.gz RBJIJOVBJQYGTI-DNNBLBMLSA-N -1 0 333.403 3.626 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cccc(C(=O)[O-])c2)[C@@H]1c1cccc(F)c1 ZINC000237376144 601107772 /nfs/dbraw/zinc/10/77/72/601107772.db2.gz UPOMINLHSIHJDT-PXAZEXFGSA-N -1 0 327.355 3.747 20 0 EHADRM Cc1[nH]c(C(=O)N2CC[C@H](C)[C@@H]2c2cccc(F)c2)c(C)c1C(=O)[O-] ZINC000832843212 601108303 /nfs/dbraw/zinc/10/83/03/601108303.db2.gz KGGFKJCFCUXYJZ-DYZYQPBXSA-N -1 0 344.386 3.692 20 0 EHADRM Cc1ccc(NC(=O)[C@@H](c2cccc(Cl)c2)N(C)C)cc1C(=O)[O-] ZINC000832941794 601110137 /nfs/dbraw/zinc/11/01/37/601110137.db2.gz NDOICMYWSJTBKO-MRXNPFEDSA-N -1 0 346.814 3.588 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000827586337 601122388 /nfs/dbraw/zinc/12/23/88/601122388.db2.gz KSDDBVHEBYPMBJ-BDJLRTHQSA-N -1 0 334.318 3.513 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1sc2ccccc2c1Cl)c1ccccn1 ZINC000739373101 601123654 /nfs/dbraw/zinc/12/36/54/601123654.db2.gz UPGQSYMCSFEIHH-CYBMUJFWSA-N -1 0 346.795 3.505 20 0 EHADRM CCN(C(=O)C[C@@H](C)c1ccccc1F)c1ncc(C(=O)[O-])s1 ZINC000737053395 601125014 /nfs/dbraw/zinc/12/50/14/601125014.db2.gz UJHFVYIDVBUIPB-SNVBAGLBSA-N -1 0 336.388 3.527 20 0 EHADRM CCN(C(=O)CC(C)(C)c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC000737053680 601125234 /nfs/dbraw/zinc/12/52/34/601125234.db2.gz VXCBOVMDLKYHLA-UHFFFAOYSA-N -1 0 332.425 3.562 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)NCc2ccc(Cl)cc2Cl)C1 ZINC000183961176 601125625 /nfs/dbraw/zinc/12/56/25/601125625.db2.gz APIFLWAOKDPLQG-UWVGGRQHSA-N -1 0 330.211 3.501 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)Cc1coc2cc(F)ccc12 ZINC000833120035 601127646 /nfs/dbraw/zinc/12/76/46/601127646.db2.gz MCJSBFQVUSQMHD-UHFFFAOYSA-N -1 0 331.274 3.590 20 0 EHADRM CCN(C(=O)c1c(F)c(F)cc(F)c1F)c1ccccc1C(=O)[O-] ZINC000829602491 601129230 /nfs/dbraw/zinc/12/92/30/601129230.db2.gz PGERQXHMEWPHRS-UHFFFAOYSA-N -1 0 341.260 3.608 20 0 EHADRM Cc1ccc(NC(=O)NC2(c3cccc(F)c3)CC2)cc1C(=O)[O-] ZINC000832946940 601137325 /nfs/dbraw/zinc/13/73/25/601137325.db2.gz MKAYZCRAJOUGEP-UHFFFAOYSA-N -1 0 328.343 3.643 20 0 EHADRM Cc1ccc(NC(=O)NC2(c3nccs3)CCCC2)cc1C(=O)[O-] ZINC000832947673 601146509 /nfs/dbraw/zinc/14/65/09/601146509.db2.gz URRUGMDOARUMOO-UHFFFAOYSA-N -1 0 345.424 3.741 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)O[C@@H](c2ccccc2)c2ccccn2)C1 ZINC000833189744 601149000 /nfs/dbraw/zinc/14/90/00/601149000.db2.gz UMNBTJLUFXQCHS-NUJGCVRESA-N -1 0 339.391 3.605 20 0 EHADRM Cc1ccc(CCCC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)s1 ZINC000832929652 601149004 /nfs/dbraw/zinc/14/90/04/601149004.db2.gz BNRQQCQEWOLEKU-UHFFFAOYSA-N -1 0 339.363 3.994 20 0 EHADRM Cc1ccc(CCCC(=O)N2C[C@H](C(=O)[O-])c3ccccc32)s1 ZINC000192952788 601155755 /nfs/dbraw/zinc/15/57/55/601155755.db2.gz IEUBYRVCNGSCSE-HNNXBMFYSA-N -1 0 329.421 3.594 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000237601888 601162811 /nfs/dbraw/zinc/16/28/11/601162811.db2.gz IDYSZBKRJXHERY-RMCBBKKWSA-N -1 0 341.382 3.807 20 0 EHADRM CCCc1nc(C)c(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])s1 ZINC000236936008 601164487 /nfs/dbraw/zinc/16/44/87/601164487.db2.gz DZODRLVPIALDJM-NHYWBVRUSA-N -1 0 346.452 3.596 20 0 EHADRM CSc1ccccc1C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000507318921 601170887 /nfs/dbraw/zinc/17/08/87/601170887.db2.gz NWYCRLBBTFDSTP-BLLLJJGKSA-N -1 0 329.421 3.600 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)OCc2cccc(C(F)(F)F)c2)C1 ZINC000833187788 601177994 /nfs/dbraw/zinc/17/79/94/601177994.db2.gz KMMUEMFJIOOVFD-NWDGAFQWSA-N -1 0 330.302 3.640 20 0 EHADRM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC000676213486 601179174 /nfs/dbraw/zinc/17/91/74/601179174.db2.gz NFNZHGVHNZZPNR-HNNXBMFYSA-N -1 0 345.782 3.822 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)OCc2cc3ccccc3nc2Cl)C1 ZINC000833190768 601185413 /nfs/dbraw/zinc/18/54/13/601185413.db2.gz YTACPKGDDXLHAF-STQMWFEESA-N -1 0 347.798 3.822 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000325531310 601186056 /nfs/dbraw/zinc/18/60/56/601186056.db2.gz JFUARDDQWAHFNT-UHFFFAOYSA-N -1 0 333.359 3.788 20 0 EHADRM O=C([O-])c1cccc(C(=O)N(Cc2cccs2)CC(F)(F)F)c1 ZINC000833327748 601193929 /nfs/dbraw/zinc/19/39/29/601193929.db2.gz YKGDVLBVUGUKAN-UHFFFAOYSA-N -1 0 343.326 3.651 20 0 EHADRM Cc1nc2sccn2c1-c1nc(-c2cc(C(=O)[O-])co2)cs1 ZINC000833006541 601200376 /nfs/dbraw/zinc/20/03/76/601200376.db2.gz FZXAMFFOFKPYIZ-UHFFFAOYSA-N -1 0 331.378 3.786 20 0 EHADRM O=C([O-])c1sc(N2CCC[C@H]2Cc2ccc(F)cc2)nc1Cl ZINC000833346210 601209240 /nfs/dbraw/zinc/20/92/40/601209240.db2.gz KCCCKUIXYOMPJU-NSHDSACASA-N -1 0 340.807 3.845 20 0 EHADRM CC[C@H](CNc1nc(Cl)c(C(=O)[O-])s1)Oc1ccccc1F ZINC000828890310 601209724 /nfs/dbraw/zinc/20/97/24/601209724.db2.gz BNMOHOAVLMXUPM-MRVPVSSYSA-N -1 0 344.795 3.903 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)NCc1ccc(C(=O)[O-])o1)C(C)(C)C ZINC000832981339 601213775 /nfs/dbraw/zinc/21/37/75/601213775.db2.gz HDJLRMXAKJOWRX-INIZCTEOSA-N -1 0 344.411 3.873 20 0 EHADRM C[C@H](OC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1cnc2ccccc2c1 ZINC000827828068 601238289 /nfs/dbraw/zinc/23/82/89/601238289.db2.gz VDOZMAQZINZPPX-CFVMTHIKSA-N -1 0 327.380 3.730 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)Nc1ccc(F)cc1F)c1ccccc1 ZINC000826039162 601246960 /nfs/dbraw/zinc/24/69/60/601246960.db2.gz OGQTUEXBKBUMSM-BONVTDFDSA-N -1 0 334.322 3.548 20 0 EHADRM C[C@H](Nc1cc(C(=O)[O-])nc2ccc(Br)cc21)C1CC1 ZINC000827768975 601247665 /nfs/dbraw/zinc/24/76/65/601247665.db2.gz YVYFWPMDUZWOPP-QMMMGPOBSA-N -1 0 335.201 3.906 20 0 EHADRM O=C([O-])Nc1cccc(NCc2ccc(C(=O)N3CCCC3)cc2)c1 ZINC000833288740 601247906 /nfs/dbraw/zinc/24/79/06/601247906.db2.gz GHLZIOSQZSMYGM-UHFFFAOYSA-N -1 0 339.395 3.625 20 0 EHADRM Cc1nc(C)c(NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])s1 ZINC000832995520 601271027 /nfs/dbraw/zinc/27/10/27/601271027.db2.gz BXJQBVAZNIIKDR-VIFPVBQESA-N -1 0 336.438 3.577 20 0 EHADRM CCC1CCC(NC(=O)[C@H]2CCSc3ccccc32)(C(=O)[O-])CC1 ZINC000829086487 601275173 /nfs/dbraw/zinc/27/51/73/601275173.db2.gz NKUWYHOULILXKT-BTUGKURYSA-N -1 0 347.480 3.806 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)C/C=C/c2cccc(F)c2)cc1 ZINC000830507283 601280834 /nfs/dbraw/zinc/28/08/34/601280834.db2.gz HJWCRJVIZYYDHX-HWKANZROSA-N -1 0 328.343 3.982 20 0 EHADRM CO[C@H](C)c1nc(C)c(C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)s1 ZINC000831499914 601280928 /nfs/dbraw/zinc/28/09/28/601280928.db2.gz HJAFEFFCGNYUFL-SNVBAGLBSA-N -1 0 349.412 3.525 20 0 EHADRM C[C@@H](C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1)C1CCCC1 ZINC000826026929 601284272 /nfs/dbraw/zinc/28/42/72/601284272.db2.gz RTEHHKKHUREEPW-SECBINFHSA-N -1 0 333.413 3.601 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)C/C=C\c2ccc(F)cc2)c2ccccc21 ZINC000833216165 601289638 /nfs/dbraw/zinc/28/96/38/601289638.db2.gz ITFPSKPTDHLCTA-ABCZVMIZSA-N -1 0 339.366 3.834 20 0 EHADRM Cc1ccc(CCC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000237738454 601294887 /nfs/dbraw/zinc/29/48/87/601294887.db2.gz PCBAFEAVKTUYCR-BEFAXECRSA-N -1 0 325.408 3.506 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1oc2ccc(OC)cc2c1C ZINC000539573616 601306256 /nfs/dbraw/zinc/30/62/56/601306256.db2.gz HUWAMQLRADGABN-UHFFFAOYSA-N -1 0 333.384 3.513 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)COc1c(Cl)cccc1Cl ZINC000828779642 601308651 /nfs/dbraw/zinc/30/86/51/601308651.db2.gz BLQWYTWNRRWPTK-UHFFFAOYSA-N -1 0 348.226 3.522 20 0 EHADRM CC(C)[C@H](CNC(=O)Nc1cccc(NC(=O)[O-])c1)c1cccnc1 ZINC000826688059 601334406 /nfs/dbraw/zinc/33/44/06/601334406.db2.gz SYAYNCYFCQGDNK-INIZCTEOSA-N -1 0 342.399 3.733 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)c1 ZINC000833327473 601335842 /nfs/dbraw/zinc/33/58/42/601335842.db2.gz MXELDDOEQCUQRO-QGZVFWFLSA-N -1 0 327.355 3.891 20 0 EHADRM O=C([O-])c1cccc(OCc2noc(-c3cccc4cnccc43)n2)c1 ZINC000833332784 601365668 /nfs/dbraw/zinc/36/56/68/601365668.db2.gz QJJYASZXXZALDA-UHFFFAOYSA-N -1 0 347.330 3.562 20 0 EHADRM O=C([O-])c1cccc(OCc2noc(-c3cc4ccccc4o3)n2)c1 ZINC000833332296 601368424 /nfs/dbraw/zinc/36/84/24/601368424.db2.gz KHJYEPCCIRCQHF-UHFFFAOYSA-N -1 0 336.303 3.760 20 0 EHADRM CN(C(=O)NCCCCC(=O)[O-])C1c2ccccc2-c2ccccc21 ZINC000666559496 601375076 /nfs/dbraw/zinc/37/50/76/601375076.db2.gz WTTRMGZQTPTGBX-UHFFFAOYSA-N -1 0 338.407 3.653 20 0 EHADRM CC(C)[C@H]1CN(C(=O)c2cccc(NC(=O)[O-])c2)c2ccccc2N1 ZINC000826741881 601383944 /nfs/dbraw/zinc/38/39/44/601383944.db2.gz RYNKXBRGWWPIAY-MRXNPFEDSA-N -1 0 339.395 3.873 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@H](C)c1ccc(Cl)s1 ZINC000831913012 601389734 /nfs/dbraw/zinc/38/97/34/601389734.db2.gz ITDPMWWSSLRFIG-MRVPVSSYSA-N -1 0 340.784 3.817 20 0 EHADRM C[C@H](CC(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-])c1ccc(F)cc1 ZINC000262471864 601392609 /nfs/dbraw/zinc/39/26/09/601392609.db2.gz JNDCIPVILCSBMK-TYILLQQXSA-N -1 0 343.398 3.898 20 0 EHADRM Cc1ccc2cc(C(=O)N[C@@H](c3ccccc3)[C@H](C)C(=O)[O-])[nH]c2c1 ZINC000237534347 601394347 /nfs/dbraw/zinc/39/43/47/601394347.db2.gz BYHRVARUYSBNAT-SCLBCKFNSA-N -1 0 336.391 3.668 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Nc2ccc(OC)cc2C(=O)[O-])cc1 ZINC000577556847 601400094 /nfs/dbraw/zinc/40/00/94/601400094.db2.gz KFJJEUKZFADFBI-LBPRGKRZSA-N -1 0 343.379 3.534 20 0 EHADRM Cc1nc(CCCC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cs1 ZINC000832999653 601400328 /nfs/dbraw/zinc/40/03/28/601400328.db2.gz YCLXAGCALPMQSM-UHFFFAOYSA-N -1 0 337.376 3.642 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@H](C)c2ccc(Cl)s2)c1 ZINC000832178631 601403807 /nfs/dbraw/zinc/40/38/07/601403807.db2.gz IFQAURZXSVSUHE-MRVPVSSYSA-N -1 0 339.800 3.851 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N3C[C@@H]4CCCC[C@H]4C3)c12 ZINC000833001662 601410577 /nfs/dbraw/zinc/41/05/77/601410577.db2.gz PSUFHDUYBIIFBU-RYUDHWBXSA-N -1 0 331.441 3.633 20 0 EHADRM C/C(=C\COC(=O)CCCC(=O)c1c(C)cc(C)cc1C)C(=O)[O-] ZINC000825758877 601418690 /nfs/dbraw/zinc/41/86/90/601418690.db2.gz RPPBBIIQZFDILN-MDWZMJQESA-N -1 0 332.396 3.539 20 0 EHADRM CCCN(C/C=C(/C)C(=O)[O-])Cc1nnc(-c2ccccc2Cl)o1 ZINC000829486301 601420441 /nfs/dbraw/zinc/42/04/41/601420441.db2.gz BCRNKTUVBGGAKS-WQLSENKSSA-N -1 0 349.818 3.633 20 0 EHADRM C/C(=C\COC(=O)c1csc(-c2ccc(Cl)s2)n1)C(=O)[O-] ZINC000825787051 601420671 /nfs/dbraw/zinc/42/06/71/601420671.db2.gz UMRWJOYVNCRDRI-QPJJXVBHSA-N -1 0 343.813 3.713 20 0 EHADRM CCc1nc(Cl)c(C)c(NCCc2ccc(NC(=O)[O-])cc2)n1 ZINC000830318019 601434490 /nfs/dbraw/zinc/43/44/90/601434490.db2.gz LHBXHPLMBLYSAF-UHFFFAOYSA-N -1 0 334.807 3.745 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CCC1 ZINC000262556572 601438197 /nfs/dbraw/zinc/43/81/97/601438197.db2.gz WRLFPKJPDKQXRN-QWHCGFSZSA-N -1 0 342.222 3.611 20 0 EHADRM CCCOc1ccc(Cl)cc1C(=O)Nc1ncc(C(=O)[O-])s1 ZINC000829532355 601441818 /nfs/dbraw/zinc/44/18/18/601441818.db2.gz FBNJPJCJXXHBMF-UHFFFAOYSA-N -1 0 340.788 3.536 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)C/C=C/c1cccc(F)c1 ZINC000832524100 601447089 /nfs/dbraw/zinc/44/70/89/601447089.db2.gz QBJZHNPAAULJQZ-ZZXKWVIFSA-N -1 0 330.311 3.541 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)CCc3ccsc3)ccc2n1C ZINC000832852194 601451087 /nfs/dbraw/zinc/45/10/87/601451087.db2.gz PUUUMFFGHZNIIY-UHFFFAOYSA-N -1 0 343.404 3.785 20 0 EHADRM Cc1nc(Cl)sc1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000833001208 601451973 /nfs/dbraw/zinc/45/19/73/601451973.db2.gz WYCYCXJKKQZLSZ-UHFFFAOYSA-N -1 0 338.816 3.719 20 0 EHADRM C[C@H](C(=O)NC1(CC(=O)[O-])CCC1)c1c(Cl)cccc1Cl ZINC000666364119 601452388 /nfs/dbraw/zinc/45/23/88/601452388.db2.gz NGLVNWMCICSGFJ-VIFPVBQESA-N -1 0 330.211 3.611 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000237014800 601457391 /nfs/dbraw/zinc/45/73/91/601457391.db2.gz JMQZNTNBVKXESW-ZBEGNZNMSA-N -1 0 345.361 3.644 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)Cc1cccc(OC(C)C)c1 ZINC000830389740 601464299 /nfs/dbraw/zinc/46/42/99/601464299.db2.gz UGSHOXBMXWLALO-UHFFFAOYSA-N -1 0 346.379 3.613 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000829014989 601471623 /nfs/dbraw/zinc/47/16/23/601471623.db2.gz WLAKAZPXSLEGIK-CHWSQXEVSA-N -1 0 332.352 3.748 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000832220714 601474436 /nfs/dbraw/zinc/47/44/36/601474436.db2.gz DIXFESFUIKQFGB-SGTLLEGYSA-N -1 0 346.354 3.697 20 0 EHADRM COc1ccc([C@H](C)CC(=O)O[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000832220815 601475293 /nfs/dbraw/zinc/47/52/93/601475293.db2.gz ICNWEKPFRCOCRR-XIKOKIGWSA-N -1 0 346.354 3.697 20 0 EHADRM COc1ccc([C@H](C)CC(=O)O[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000832220813 601475344 /nfs/dbraw/zinc/47/53/44/601475344.db2.gz ICNWEKPFRCOCRR-KZULUSFZSA-N -1 0 346.354 3.697 20 0 EHADRM C[C@@H](C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000262157397 601476018 /nfs/dbraw/zinc/47/60/18/601476018.db2.gz NRFNCGFDQONQRI-SJKOYZFVSA-N -1 0 343.810 3.654 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)/C=C\Sc1ccccc1 ZINC000833193954 601477554 /nfs/dbraw/zinc/47/75/54/601477554.db2.gz SOKROSSYQBOQPH-LVWOJMJRSA-N -1 0 339.416 3.503 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)Cc1cccc2ccccc21 ZINC000362683707 601479023 /nfs/dbraw/zinc/47/90/23/601479023.db2.gz MDJUAEYWYCPTSA-OAQYLSRUSA-N -1 0 345.398 3.593 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)Nc2ccccc2OCC2CC2)CC1 ZINC000656602170 601487092 /nfs/dbraw/zinc/48/70/92/601487092.db2.gz LHLXOHAEDPXJOT-UHFFFAOYSA-N -1 0 346.427 3.584 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1occc1CSc1ccccc1)C1CC1 ZINC000833201173 601541315 /nfs/dbraw/zinc/54/13/15/601541315.db2.gz SNXBNCOMTOPXLC-HNNXBMFYSA-N -1 0 345.420 3.555 20 0 EHADRM CC[C@@H](C(=O)N1CCC[C@@H](C(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC000128545110 601548105 /nfs/dbraw/zinc/54/81/05/601548105.db2.gz WLZPCDPHDGNJDK-TZMCWYRMSA-N -1 0 343.345 3.522 20 0 EHADRM C[C@@H](Sc1ccccn1)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000827920978 601572143 /nfs/dbraw/zinc/57/21/43/601572143.db2.gz AJARFGUICNHYBE-SECBINFHSA-N -1 0 336.800 3.553 20 0 EHADRM CCC1CCC(NC(=O)/C=C/SCc2ccco2)(C(=O)[O-])CC1 ZINC000776647848 601572820 /nfs/dbraw/zinc/57/28/20/601572820.db2.gz VWFNHOOAIDRCRS-YRNVUSSQSA-N -1 0 337.441 3.566 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000343376960 601581853 /nfs/dbraw/zinc/58/18/53/601581853.db2.gz RQWPNVGCXSWKLX-ARFHVFGLSA-N -1 0 347.773 3.525 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)N[C@H](c2ccccc2F)C2CCCC2)C1 ZINC000263210639 601586063 /nfs/dbraw/zinc/58/60/63/601586063.db2.gz IRSSSJWPVQMYJO-PBHICJAKSA-N -1 0 348.418 3.563 20 0 EHADRM Cc1ccccc1Cc1nc(CNc2ccc(C)c(C(=O)[O-])c2)no1 ZINC000832978193 601607312 /nfs/dbraw/zinc/60/73/12/601607312.db2.gz PSJVJXCWUCCZGX-UHFFFAOYSA-N -1 0 337.379 3.588 20 0 EHADRM C[C@@H](CSc1ccc(F)cc1)C(=O)OCc1ccoc1C(=O)[O-] ZINC000827581920 601609870 /nfs/dbraw/zinc/60/98/70/601609870.db2.gz UAJRFNVPKMKQDR-JTQLQIEISA-N -1 0 338.356 3.589 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)Nc1c(F)cccc1F)c1ccccc1 ZINC000826039306 601614349 /nfs/dbraw/zinc/61/43/49/601614349.db2.gz QNENHGQPZOAKOM-IINYFYTJSA-N -1 0 334.322 3.548 20 0 EHADRM Cc1ccc(C)c(NC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000832926461 601614388 /nfs/dbraw/zinc/61/43/88/601614388.db2.gz REQUCBBOJXTECC-PBHICJAKSA-N -1 0 326.396 3.887 20 0 EHADRM CCOc1ccccc1NC(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000830109685 601614936 /nfs/dbraw/zinc/61/49/36/601614936.db2.gz JHVSHRLOPVGUBG-DYVFJYSZSA-N -1 0 342.395 3.669 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)Nc1ccccc1Oc1ccccc1)C1CC1 ZINC000327065619 601615099 /nfs/dbraw/zinc/61/50/99/601615099.db2.gz YSMOAWOTYZCEGM-MRXNPFEDSA-N -1 0 340.379 3.854 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000013173667 601620885 /nfs/dbraw/zinc/62/08/85/601620885.db2.gz BLHNEKDUTKOACG-AWEZNQCLSA-N -1 0 338.190 3.939 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000262265772 601624815 /nfs/dbraw/zinc/62/48/15/601624815.db2.gz ZNCXCVGPURPQCS-NSHDSACASA-N -1 0 343.876 3.929 20 0 EHADRM CCC(C)(C)OCc1cccc(NC(=O)NC[C@@H](C)C(=O)[O-])c1C ZINC000828612036 601628451 /nfs/dbraw/zinc/62/84/51/601628451.db2.gz MKDQZQCDYVWYCU-GFCCVEGCSA-N -1 0 336.432 3.542 20 0 EHADRM O=Cc1cc(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)cs1 ZINC000833359202 601632266 /nfs/dbraw/zinc/63/22/66/601632266.db2.gz QDYRSJKRBCNBGB-UHFFFAOYSA-N -1 0 349.433 3.521 20 0 EHADRM CCN(CC)C(=O)c1cccc(OCc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000829658255 601637187 /nfs/dbraw/zinc/63/71/87/601637187.db2.gz AKYFJENYRWYIFO-UHFFFAOYSA-N -1 0 345.370 3.585 20 0 EHADRM CCCCC[C@H](NC(=O)CCc1c[nH]c2c1cccc2C)C(=O)[O-] ZINC000236643401 601639572 /nfs/dbraw/zinc/63/95/72/601639572.db2.gz RFGALIZBRYNUCX-INIZCTEOSA-N -1 0 330.428 3.559 20 0 EHADRM Cc1ccccc1[C@@H]1CN(Cc2ccc(C(=O)[O-])c(F)c2)[C@@H](C)CO1 ZINC000659787335 601644084 /nfs/dbraw/zinc/64/40/84/601644084.db2.gz FNPPGGXIVKDYRX-LIRRHRJNSA-N -1 0 343.398 3.794 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2C[C@@H]2Cc2ccccc2)ccc1Cl ZINC000833300157 601652707 /nfs/dbraw/zinc/65/27/07/601652707.db2.gz KXPHPPAWAYKETN-GXTWGEPZSA-N -1 0 329.783 3.856 20 0 EHADRM Cc1nc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)sc1C(=O)[O-] ZINC000833001893 601653436 /nfs/dbraw/zinc/65/34/36/601653436.db2.gz BEHYHWWHFQIYGF-UHFFFAOYSA-N -1 0 348.277 3.560 20 0 EHADRM CC[C@@](NC(=O)c1cc(F)cc(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC000828964947 601670252 /nfs/dbraw/zinc/67/02/52/601670252.db2.gz MHPZRAYPFVVZMP-KRWDZBQOSA-N -1 0 335.762 3.599 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000833311603 601674133 /nfs/dbraw/zinc/67/41/33/601674133.db2.gz WIDGGYZZIJLNHH-BDAKNGLRSA-N -1 0 335.347 3.545 20 0 EHADRM CC[C@@H](NC(=O)c1sc2cccc(Cl)c2c1Cl)C(=O)[O-] ZINC000676219033 601677544 /nfs/dbraw/zinc/67/75/44/601677544.db2.gz BOHJZHJRIVKDKP-SSDOTTSWSA-N -1 0 332.208 3.801 20 0 EHADRM CCOc1cc(C)ccc1CNc1nc(Cl)c(C(=O)[O-])s1 ZINC000830045113 601680987 /nfs/dbraw/zinc/68/09/87/601680987.db2.gz VNZPIHMZJPOGHK-UHFFFAOYSA-N -1 0 326.805 3.814 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Cc2ccc(F)cc2F)cc1 ZINC000325283306 601681125 /nfs/dbraw/zinc/68/11/25/601681125.db2.gz KSRLWFQDDKDBAI-UHFFFAOYSA-N -1 0 333.334 3.508 20 0 EHADRM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000832856749 601706974 /nfs/dbraw/zinc/70/69/74/601706974.db2.gz SPKOWGVCGVEYFT-OAHLLOKOSA-N -1 0 346.471 3.826 20 0 EHADRM CC(C)(CNC(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000767185760 601708708 /nfs/dbraw/zinc/70/87/08/601708708.db2.gz UIIHORORIVQBFJ-UTCJRWHESA-N -1 0 349.736 3.599 20 0 EHADRM Cc1cc(NC(=O)N[C@H](C)c2ccc(F)cc2F)ccc1C(=O)[O-] ZINC000738441238 601713246 /nfs/dbraw/zinc/71/32/46/601713246.db2.gz KIYWBHNAHQXRBE-SNVBAGLBSA-N -1 0 334.322 3.854 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1oc2c(c1C)C(=O)CCC2 ZINC000833031218 601722040 /nfs/dbraw/zinc/72/20/40/601722040.db2.gz HKRWQVHWDJBRBP-UHFFFAOYSA-N -1 0 348.376 3.532 20 0 EHADRM CCc1[nH]c(C(=O)N2C[C@@H](C)Sc3ccccc32)c(C)c1C(=O)[O-] ZINC000830184170 601726513 /nfs/dbraw/zinc/72/65/13/601726513.db2.gz VBAQDZCTUFLDST-SNVBAGLBSA-N -1 0 344.436 3.725 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2sccc2OC(F)F)cc1F ZINC000833315606 601728465 /nfs/dbraw/zinc/72/84/65/601728465.db2.gz WEBVZYXOGYYBOG-UHFFFAOYSA-N -1 0 346.282 3.544 20 0 EHADRM CS[C@@H](C(=O)OCc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000832735200 601730470 /nfs/dbraw/zinc/73/04/70/601730470.db2.gz BIKFLJQGBHOTSO-OAHLLOKOSA-N -1 0 334.368 3.671 20 0 EHADRM C[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccccc1F)c1ccc(Cl)s1 ZINC000683320676 601742068 /nfs/dbraw/zinc/74/20/68/601742068.db2.gz YQVHYEISFDCZEY-OQPBUACISA-N -1 0 341.791 3.586 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2cc(F)ccc2s1)c1ccccc1F ZINC000678986683 601744193 /nfs/dbraw/zinc/74/41/93/601744193.db2.gz RBLDONRTFOWGFP-OAHLLOKOSA-N -1 0 347.342 3.735 20 0 EHADRM CC[C@H](CC(=O)N[C@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000678989409 601746464 /nfs/dbraw/zinc/74/64/64/601746464.db2.gz PTFIWWSTCZSMOW-ACJLOTCBSA-N -1 0 329.371 3.652 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc(F)c(Cl)cc1Cl)C1CCCCC1 ZINC000315138112 601753630 /nfs/dbraw/zinc/75/36/30/601753630.db2.gz WAHNYAKDLVNMIN-ZDUSSCGKSA-N -1 0 348.201 3.896 20 0 EHADRM CC(C)CC1(CNC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CC1 ZINC000392175720 601757988 /nfs/dbraw/zinc/75/79/88/601757988.db2.gz SZRKDLQPGOTDSX-UHFFFAOYSA-N -1 0 332.444 3.997 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(SC(C)(C)C)cc2)C[C@H]1C(=O)[O-] ZINC000828378399 601790744 /nfs/dbraw/zinc/79/07/44/601790744.db2.gz QITHZXICTOJMBZ-SMDDNHRTSA-N -1 0 336.457 3.762 20 0 EHADRM Cc1sc(NC(=O)N2CCCC[C@H]2c2ncc[nH]2)c(C(=O)[O-])c1C ZINC000833036907 601791395 /nfs/dbraw/zinc/79/13/95/601791395.db2.gz QLNUGVZSIVZDAG-NSHDSACASA-N -1 0 348.428 3.545 20 0 EHADRM C[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccccc1)c1ccc2ccccc2c1 ZINC000237437771 601802313 /nfs/dbraw/zinc/80/23/13/601802313.db2.gz YULYQGPJLFGLSW-IFXJQAMLSA-N -1 0 333.387 3.885 20 0 EHADRM O=C([O-])c1c(C2CC2)csc1NC(=O)[C@H]1Cc2ccccc2S1 ZINC000833295666 601810455 /nfs/dbraw/zinc/81/04/55/601810455.db2.gz XVPCTSCPEFIWNO-CYBMUJFWSA-N -1 0 345.445 3.979 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000315033984 601815542 /nfs/dbraw/zinc/81/55/42/601815542.db2.gz KBNPKPDAZPWYFQ-UHFFFAOYSA-N -1 0 348.201 3.850 20 0 EHADRM C[C@@H]1CCc2c(C(=O)N3CCC(CCC(=O)[O-])CC3)csc2C1 ZINC000321425066 601819748 /nfs/dbraw/zinc/81/97/48/601819748.db2.gz KZIUKXSGVNCFSG-GFCCVEGCSA-N -1 0 335.469 3.590 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)NCCCCCc2ccccc2)CC1 ZINC000659397165 601827054 /nfs/dbraw/zinc/82/70/54/601827054.db2.gz UKPVTNDHVIYKDP-UHFFFAOYSA-N -1 0 346.471 3.686 20 0 EHADRM Cc1ccc(-c2noc(CNc3cc(F)c(F)cc3C(=O)[O-])n2)cc1 ZINC000832910088 601831225 /nfs/dbraw/zinc/83/12/25/601831225.db2.gz LZYZKOACPCZEBM-UHFFFAOYSA-N -1 0 345.305 3.634 20 0 EHADRM Cc1ccc(CNC(=O)[C@@H](C)SCc2ccc(C(=O)[O-])s2)cc1 ZINC000832932623 601847093 /nfs/dbraw/zinc/84/70/93/601847093.db2.gz RQVFUJDWWCECDS-GFCCVEGCSA-N -1 0 349.477 3.693 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1cc(F)c(C)cc1F ZINC000831975959 601847477 /nfs/dbraw/zinc/84/74/77/601847477.db2.gz JCPJHMDCJXSBRX-XQRVVYSFSA-N -1 0 348.301 3.599 20 0 EHADRM Cc1cc(F)c(-c2nc(COc3cccc(C(=O)[O-])c3)no2)cc1F ZINC000832886486 601848385 /nfs/dbraw/zinc/84/83/85/601848385.db2.gz DKLPEUUQFOLYGR-UHFFFAOYSA-N -1 0 346.289 3.600 20 0 EHADRM CC(C)[C@H](NC(=O)NCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000666514266 601848551 /nfs/dbraw/zinc/84/85/51/601848551.db2.gz NUUSNWCAZKHJQQ-KRWDZBQOSA-N -1 0 326.396 3.581 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(F)c(Cl)nc2Cl)cc1F ZINC000833320007 601851533 /nfs/dbraw/zinc/85/15/33/601851533.db2.gz UPZGHHPDJRTUNY-UHFFFAOYSA-N -1 0 347.104 3.617 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)C1CCC(NC(=O)[O-])CC1 ZINC000740096313 601852535 /nfs/dbraw/zinc/85/25/35/601852535.db2.gz CUOFMYOOAXRMCA-SSDMNJCBSA-N -1 0 348.443 3.544 20 0 EHADRM CC(C)COC[C@@H](NC(=O)c1ccc(NC(=O)[O-])cc1)c1ccco1 ZINC000738827248 601855407 /nfs/dbraw/zinc/85/54/07/601855407.db2.gz OJNPRXHQHAKMPE-OAHLLOKOSA-N -1 0 346.383 3.513 20 0 EHADRM Cc1cc(C(=O)NC2(C(=O)[O-])CCCCCC2)c(Cl)cc1F ZINC000191239707 601857778 /nfs/dbraw/zinc/85/77/78/601857778.db2.gz YVDVAHRKVOLOFK-UHFFFAOYSA-N -1 0 327.783 3.695 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000826947154 601864347 /nfs/dbraw/zinc/86/43/47/601864347.db2.gz REYYXOGBXDGGPL-UHFFFAOYSA-N -1 0 346.814 3.727 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(c2ncnc3sc(-c4ccccc4)cc32)C1 ZINC000263388391 601864358 /nfs/dbraw/zinc/86/43/58/601864358.db2.gz FNGJDUATCGZGAS-SFHVURJKSA-N -1 0 339.420 3.659 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cncc(-c3ccc(Cl)cc3)c2)CCC1 ZINC000653321449 601868946 /nfs/dbraw/zinc/86/89/46/601868946.db2.gz QBLBEYZGWZTQJG-UHFFFAOYSA-N -1 0 344.798 3.529 20 0 EHADRM CCCCC[C@H](NC(=O)c1cncc(-c2ccccc2)c1)C(=O)[O-] ZINC000829340446 601869565 /nfs/dbraw/zinc/86/95/65/601869565.db2.gz PKLROXIFYPTOMM-KRWDZBQOSA-N -1 0 326.396 3.512 20 0 EHADRM CC(C)(C(=O)Oc1ccc(SCC(=O)[O-])cc1)c1cccs1 ZINC000826126446 601871576 /nfs/dbraw/zinc/87/15/76/601871576.db2.gz BYVYNJREZINGEO-UHFFFAOYSA-N -1 0 336.434 3.808 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)Cc2ccccc2Cl)cc1 ZINC000833264039 601874382 /nfs/dbraw/zinc/87/43/82/601874382.db2.gz CSUQKPXUEMXHTC-UHFFFAOYSA-N -1 0 336.796 3.665 20 0 EHADRM CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000830150485 601881372 /nfs/dbraw/zinc/88/13/72/601881372.db2.gz PRVBJTOYBMFROG-ZIAGYGMSSA-N -1 0 336.457 3.831 20 0 EHADRM O=C([O-])Cc1sc(NC(=O)[C@H]2CC23CCC3)nc1-c1ccccc1 ZINC000833270578 601882662 /nfs/dbraw/zinc/88/26/62/601882662.db2.gz QPQRQNCTYIQMSY-GFCCVEGCSA-N -1 0 342.420 3.566 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000325139775 601884655 /nfs/dbraw/zinc/88/46/55/601884655.db2.gz YIBSWMANRFPEGL-UHFFFAOYSA-N -1 0 338.285 3.725 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)c1ccccc1C(F)(F)F ZINC000833130855 601902442 /nfs/dbraw/zinc/90/24/42/601902442.db2.gz ZRYKXZCLRDMGKO-TZMCWYRMSA-N -1 0 343.345 3.859 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)CCCOCc1ccccc1 ZINC000262052057 601903049 /nfs/dbraw/zinc/90/30/49/601903049.db2.gz AFQGBTRLLFJLQX-ROUUACIJSA-N -1 0 347.455 3.523 20 0 EHADRM CC(C)OCc1ccc(NC(=O)[C@@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000738864410 601903985 /nfs/dbraw/zinc/90/39/85/601903985.db2.gz VVXNPSQOJNSXCS-KRWDZBQOSA-N -1 0 342.395 3.559 20 0 EHADRM CCN(C(=O)CNc1ccc(C(=O)[O-])cc1)[C@@H](C)c1ccc(F)cc1 ZINC000829598068 601904548 /nfs/dbraw/zinc/90/45/48/601904548.db2.gz YVUNZRUFRWRJJF-ZDUSSCGKSA-N -1 0 344.386 3.546 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)C1(Cc2ccccc2)CC1 ZINC000833188394 601905837 /nfs/dbraw/zinc/90/58/37/601905837.db2.gz YUNLMFCSOADCIB-IRXDYDNUSA-N -1 0 329.440 3.549 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)N[C@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000537366207 601910532 /nfs/dbraw/zinc/91/05/32/601910532.db2.gz LIMOQWNRIFEUCB-STQMWFEESA-N -1 0 338.473 3.728 20 0 EHADRM Cc1cccc2[nH]cc(CC(=O)N[C@@H]3CCCCCC[C@@H]3C(=O)[O-])c21 ZINC000262084637 601911030 /nfs/dbraw/zinc/91/10/30/601911030.db2.gz HGGQPBFNRDNFHR-JKSUJKDBSA-N -1 0 342.439 3.559 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)c1ccc(Cl)cc1F ZINC000262064538 601914739 /nfs/dbraw/zinc/91/47/39/601914739.db2.gz BOFFKAOQPSYPFX-TZMCWYRMSA-N -1 0 327.783 3.633 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)C(=O)NCc2cccc(C(=O)[O-])c2)c1 ZINC000532594531 601917597 /nfs/dbraw/zinc/91/75/97/601917597.db2.gz AGRKKTWKNFWLEC-AWEZNQCLSA-N -1 0 341.407 3.592 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000237569114 601920012 /nfs/dbraw/zinc/92/00/12/601920012.db2.gz KNFBVDLEKIBJLC-NSHDSACASA-N -1 0 349.839 3.835 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2sccc2SC(F)F)c1 ZINC000767097287 601928584 /nfs/dbraw/zinc/92/85/84/601928584.db2.gz YWHIKYUZBLGRDZ-UHFFFAOYSA-N -1 0 343.376 3.691 20 0 EHADRM Cc1ccc(CCCCC(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC000237703393 601928609 /nfs/dbraw/zinc/92/86/09/601928609.db2.gz OZYVTRKDIDAUFZ-UHFFFAOYSA-N -1 0 325.408 3.722 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CNc1cc(F)cc(Cl)c1 ZINC000832918057 601963063 /nfs/dbraw/zinc/96/30/63/601963063.db2.gz ZGLZZBFYWVQPCB-UHFFFAOYSA-N -1 0 336.750 3.536 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000325688619 601987753 /nfs/dbraw/zinc/98/77/53/601987753.db2.gz ISWCNHGYPMJJCK-ZDUSSCGKSA-N -1 0 347.436 3.628 20 0 EHADRM CCSCc1ccc(C(=O)Nc2ccc(NC(=O)[O-])nc2)cc1 ZINC000739515779 601991308 /nfs/dbraw/zinc/99/13/08/601991308.db2.gz AICAMNZDVOYNRX-UHFFFAOYSA-N -1 0 331.397 3.677 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cc(Cl)cc3cccnc32)cn1 ZINC000740712497 601992093 /nfs/dbraw/zinc/99/20/93/601992093.db2.gz SFGHKCIKPTXROR-UHFFFAOYSA-N -1 0 342.742 3.625 20 0 EHADRM CN(C(=O)CC1CCCCC1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830464233 602004274 /nfs/dbraw/zinc/00/42/74/602004274.db2.gz GRMRBWCGJDWIBW-INIZCTEOSA-N -1 0 343.345 3.658 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000833314853 602004535 /nfs/dbraw/zinc/00/45/35/602004535.db2.gz KSKYFWPUSZGIOM-IUCAKERBSA-N -1 0 336.331 3.858 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cnc(-c3ccccc3)s2)s1 ZINC000833315596 602004568 /nfs/dbraw/zinc/00/45/68/602004568.db2.gz VOHBFQUENSTVLX-UHFFFAOYSA-N -1 0 345.401 3.927 20 0 EHADRM Cc1nc(-c2ccco2)ccc1C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000832992941 602007111 /nfs/dbraw/zinc/00/71/11/602007111.db2.gz DYHWAHKNIIWODQ-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM Cc1cc(C(=O)NCCCCCCCC(=O)[O-])c(Cl)cc1F ZINC000237587010 602021440 /nfs/dbraw/zinc/02/14/40/602021440.db2.gz RAOXBEKGPTWKNC-UHFFFAOYSA-N -1 0 329.799 3.943 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@H]1SCCc2sccc21 ZINC000238103081 602022396 /nfs/dbraw/zinc/02/23/96/602022396.db2.gz BQEJSJJSRGVCFJ-HNNXBMFYSA-N -1 0 341.498 3.620 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)Nc1cc(F)ccc1F ZINC000833152502 602025713 /nfs/dbraw/zinc/02/57/13/602025713.db2.gz DVCNBJXJZFWRAL-WCQYABFASA-N -1 0 326.343 3.510 20 0 EHADRM CCCCC[C@H](NC(=O)c1cc(C)ccc1Br)C(=O)[O-] ZINC000829326126 602027850 /nfs/dbraw/zinc/02/78/50/602027850.db2.gz FFAJRJBWOHLLJC-ZDUSSCGKSA-N -1 0 342.233 3.521 20 0 EHADRM CCS[C@H]1CC[C@H](N(C)C(=O)Nc2cccc(C(=O)[O-])c2C)C1 ZINC000830148854 602031845 /nfs/dbraw/zinc/03/18/45/602031845.db2.gz AMSRULPWBCDZSN-STQMWFEESA-N -1 0 336.457 3.831 20 0 EHADRM O=C([O-])NC[C@H]1CCCCN1Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000740624058 602046134 /nfs/dbraw/zinc/04/61/34/602046134.db2.gz PTNBHWBUKNGWHH-OAHLLOKOSA-N -1 0 349.818 3.617 20 0 EHADRM O=C([O-])NC[C@@H]1CCCCN1Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000740624056 602046537 /nfs/dbraw/zinc/04/65/37/602046537.db2.gz PTNBHWBUKNGWHH-HNNXBMFYSA-N -1 0 349.818 3.617 20 0 EHADRM CCC(CC)[C@@H](NC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1cccs1 ZINC000263072723 602062709 /nfs/dbraw/zinc/06/27/09/602062709.db2.gz TZYGETHWIPDQCP-PBHICJAKSA-N -1 0 338.473 3.732 20 0 EHADRM CC[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC000828700836 602062816 /nfs/dbraw/zinc/06/28/16/602062816.db2.gz SMICIXPRUNIVFY-CYBMUJFWSA-N -1 0 327.380 3.948 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC000833225373 602063971 /nfs/dbraw/zinc/06/39/71/602063971.db2.gz SIGLXMSVTPZSLE-MRXNPFEDSA-N -1 0 336.407 3.537 20 0 EHADRM CCc1nnc(Oc2ccc(C(=O)[O-])cc2Cl)c(C#N)c1CC ZINC000322320537 602068205 /nfs/dbraw/zinc/06/82/05/602068205.db2.gz GWMXXNZFBHUTCE-UHFFFAOYSA-N -1 0 331.759 3.617 20 0 EHADRM Cc1ccc2c(CC(=O)Nc3cccc(CC(=O)[O-])c3)coc2c1C ZINC000345783277 602071713 /nfs/dbraw/zinc/07/17/13/602071713.db2.gz QLXKNNYRNLLKDQ-UHFFFAOYSA-N -1 0 337.375 3.858 20 0 EHADRM Cc1nc([C@H](C)OC(=O)[C@H]2C[C@@H]2C(=O)[O-])oc1-c1ccc(Cl)cc1 ZINC000832994690 602086187 /nfs/dbraw/zinc/08/61/87/602086187.db2.gz WTVBMWRYLUFRRM-XDTLVQLUSA-N -1 0 349.770 3.628 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)N1CC[C@](C)(C(=O)[O-])C1)C(C)(C)C ZINC000263250294 602087405 /nfs/dbraw/zinc/08/74/05/602087405.db2.gz OVMKTTIFZQFMLA-BEFAXECRSA-N -1 0 332.444 3.588 20 0 EHADRM C[C@H](C(=O)O[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1)C(F)(F)F ZINC000826061310 602087398 /nfs/dbraw/zinc/08/73/98/602087398.db2.gz KGZSPFNFEXBSRR-ANLVUFKYSA-N -1 0 345.100 3.861 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)N1CCc2ccc(Cl)cc21 ZINC000833225267 602095841 /nfs/dbraw/zinc/09/58/41/602095841.db2.gz PQXAVAVDCNYMKQ-UHFFFAOYSA-N -1 0 338.835 3.837 20 0 EHADRM CCO[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)C12CCC2 ZINC000829917471 602101697 /nfs/dbraw/zinc/10/16/97/602101697.db2.gz GNTUWBHXSLUYKS-JKSUJKDBSA-N -1 0 346.427 3.505 20 0 EHADRM COc1cc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)ccc1F ZINC000325325485 602110192 /nfs/dbraw/zinc/11/01/92/602110192.db2.gz XOGLEDVKIWWUBK-UHFFFAOYSA-N -1 0 349.383 3.725 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000827272997 602114877 /nfs/dbraw/zinc/11/48/77/602114877.db2.gz PVEJPYKVKLMTNF-DYVFJYSZSA-N -1 0 345.826 3.851 20 0 EHADRM CCc1cccc2c(C3CCN(C(=O)[C@@H](C)CC(=O)[O-])CC3)c[nH]c21 ZINC000830270000 602115759 /nfs/dbraw/zinc/11/57/59/602115759.db2.gz ITQKDKJTTQTMFG-ZDUSSCGKSA-N -1 0 342.439 3.547 20 0 EHADRM CC(C)CC[C@H]1CCCCN1C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000826845006 602134974 /nfs/dbraw/zinc/13/49/74/602134974.db2.gz OWFAKQWKFVKDQY-CYBMUJFWSA-N -1 0 339.461 3.593 20 0 EHADRM CC(C)[C@@H](NC(=O)[C@H](C)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000827270887 602140938 /nfs/dbraw/zinc/14/09/38/602140938.db2.gz FEIJYBAMACLQPR-QMTHXVAHSA-N -1 0 331.334 3.630 20 0 EHADRM Cc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)c1F ZINC000832963418 602144754 /nfs/dbraw/zinc/14/47/54/602144754.db2.gz RSIQTVNRIXWHDW-UHFFFAOYSA-N -1 0 339.269 3.686 20 0 EHADRM CCN(C(=O)[C@@H](C)OC1CCCCCC1)c1ccccc1C(=O)[O-] ZINC000829591212 602148801 /nfs/dbraw/zinc/14/88/01/602148801.db2.gz PEJRPKATPKHOJL-CQSZACIVSA-N -1 0 333.428 3.866 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)Nc1cccc(SC(F)F)c1 ZINC000739239691 602153026 /nfs/dbraw/zinc/15/30/26/602153026.db2.gz SNHXEFCXPUEFPN-KCJUWKMLSA-N -1 0 332.372 3.622 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)[C@H](C)OC1CCCCCC1)c1ccccc1 ZINC000237559072 602159069 /nfs/dbraw/zinc/15/90/69/602159069.db2.gz VDHRTKNGXQKPHF-RVKKMQEKSA-N -1 0 347.455 3.693 20 0 EHADRM CCC(=O)c1ccc(C(=O)Oc2ccc(SCC(=O)[O-])cc2)cc1 ZINC000828574440 602169897 /nfs/dbraw/zinc/16/98/97/602169897.db2.gz RIVYCBSTUAGVSV-UHFFFAOYSA-N -1 0 344.388 3.675 20 0 EHADRM Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccccc1NC(=O)[O-] ZINC000740209373 602174639 /nfs/dbraw/zinc/17/46/39/602174639.db2.gz UWARAPSSRZZPFD-UHFFFAOYSA-N -1 0 337.335 3.992 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)CCOc1ccc(Cl)cc1 ZINC000740713964 602175790 /nfs/dbraw/zinc/17/57/90/602175790.db2.gz GDIVOUJXDKMQLG-UHFFFAOYSA-N -1 0 334.759 3.838 20 0 EHADRM Cc1nc(-c2ccco2)ccc1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000191355295 602178569 /nfs/dbraw/zinc/17/85/69/602178569.db2.gz QUJOZYBYGGBWDX-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM Cc1oc(-c2cccs2)nc1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000762158015 602181112 /nfs/dbraw/zinc/18/11/12/602181112.db2.gz ZBOKGANOOBPAEH-UHFFFAOYSA-N -1 0 334.378 3.724 20 0 EHADRM C[C@H](c1cccc(Cl)c1)S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000818070955 602181586 /nfs/dbraw/zinc/18/15/86/602181586.db2.gz HBHAZUFOYONGSW-LLVKDONJSA-N -1 0 338.812 3.714 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2csc(Cc3ccccc3)n2)c1 ZINC000191340469 602182056 /nfs/dbraw/zinc/18/20/56/602182056.db2.gz WWAXQVHHEFCFSZ-UHFFFAOYSA-N -1 0 344.417 3.746 20 0 EHADRM O=C([O-])c1csc(NC(=O)COc2cc(Cl)cc(Cl)c2)c1 ZINC000584566770 602183600 /nfs/dbraw/zinc/18/36/00/602183600.db2.gz WHRBKDLIGSXNTA-UHFFFAOYSA-N -1 0 346.191 3.771 20 0 EHADRM Cc1c(C(=O)Nc2cc(C(=O)[O-])cs2)cnn1-c1cccc(C)c1 ZINC000516920091 602185824 /nfs/dbraw/zinc/18/58/24/602185824.db2.gz AOYLZUPWWDVYQT-UHFFFAOYSA-N -1 0 341.392 3.501 20 0 EHADRM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000581921319 602187356 /nfs/dbraw/zinc/18/73/56/602187356.db2.gz KSYDSSCVXZDODT-GOEBONIOSA-N -1 0 345.420 3.861 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC000391481628 602187883 /nfs/dbraw/zinc/18/78/83/602187883.db2.gz TVKZUELZZJSGEO-UHFFFAOYSA-N -1 0 329.783 3.940 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)COc2ccc3c(c2)CCCC3)cc1 ZINC000833288950 602188899 /nfs/dbraw/zinc/18/88/99/602188899.db2.gz BQNJXXUYVIPDTM-UHFFFAOYSA-N -1 0 341.363 3.640 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)COc2ccc3c(c2)CCCC3)c1 ZINC000833287270 602190000 /nfs/dbraw/zinc/19/00/00/602190000.db2.gz AFHHRMSXYMFWAU-UHFFFAOYSA-N -1 0 340.379 3.673 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(-c2ccco2)s1 ZINC000833180352 602190058 /nfs/dbraw/zinc/19/00/58/602190058.db2.gz BZNLPTAVMHANHL-AVGNSLFASA-N -1 0 345.420 3.866 20 0 EHADRM CCC[C@](C)(NC(=O)[O-])C(=O)OCc1csc(C2CCCC2)n1 ZINC000739296416 602218207 /nfs/dbraw/zinc/21/82/07/602218207.db2.gz MKPZJYXCMUXLCG-INIZCTEOSA-N -1 0 340.445 3.670 20 0 EHADRM CN(C(=O)c1ccc(CNC(=O)[O-])cc1)[C@H]1CCCc2ccccc21 ZINC000739593983 602227085 /nfs/dbraw/zinc/22/70/85/602227085.db2.gz WKFMRUFPXFDRDK-SFHVURJKSA-N -1 0 338.407 3.604 20 0 EHADRM CC(C)(NC(=O)[O-])c1noc(CS[C@@H]2CCCc3ccccc32)n1 ZINC000738758093 602231621 /nfs/dbraw/zinc/23/16/21/602231621.db2.gz RMWKPPUOGNMOCH-CYBMUJFWSA-N -1 0 347.440 3.883 20 0 EHADRM COc1ccc(NC(=O)c2csc(C(C)(C)C)n2)cc1NC(=O)[O-] ZINC000739918455 602235283 /nfs/dbraw/zinc/23/52/83/602235283.db2.gz JFCMTQHWLUUBNT-UHFFFAOYSA-N -1 0 349.412 3.791 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)c3ccc4ccccc4n3)ccc21 ZINC000740469512 602243398 /nfs/dbraw/zinc/24/33/98/602243398.db2.gz GUVVRCCGVGBCNO-UHFFFAOYSA-N -1 0 333.347 3.528 20 0 EHADRM O=C([O-])c1cc(Oc2ccccc2)ccc1NC(=O)Cc1ccco1 ZINC000833118090 602249992 /nfs/dbraw/zinc/24/99/92/602249992.db2.gz HOAQJHXRVUVDGH-UHFFFAOYSA-N -1 0 337.331 3.951 20 0 EHADRM C[C@@H](NC(=O)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1)C(=O)[O-] ZINC000737674904 602253513 /nfs/dbraw/zinc/25/35/13/602253513.db2.gz FVETZBNAALCUAK-FFCYNSPCSA-N -1 0 347.773 3.609 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(CNC(=O)[O-])cc1)c1ccc(C)cc1 ZINC000739266484 602258833 /nfs/dbraw/zinc/25/88/33/602258833.db2.gz CHJFEELBCJAMHN-QGZVFWFLSA-N -1 0 326.396 3.644 20 0 EHADRM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)[C@H](NC(=O)[O-])C(C)C ZINC000832891712 602263874 /nfs/dbraw/zinc/26/38/74/602263874.db2.gz XFFYTGIPLOYQFT-RHSMWYFYSA-N -1 0 347.459 3.605 20 0 EHADRM CCC[C@H](NC(=O)c1ccc(CNC(=O)[O-])cc1)c1ccccc1 ZINC000739330021 602266679 /nfs/dbraw/zinc/26/66/79/602266679.db2.gz OWVVCDGDEDSHGH-KRWDZBQOSA-N -1 0 326.396 3.725 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000829009338 602271605 /nfs/dbraw/zinc/27/16/05/602271605.db2.gz BVBRXTIQBVENSB-HOTGVXAUSA-N -1 0 338.375 3.623 20 0 EHADRM C[C@H](c1ccco1)N(C)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739057976 602277541 /nfs/dbraw/zinc/27/75/41/602277541.db2.gz FPHMPRXXXJLLGB-LLVKDONJSA-N -1 0 329.356 3.545 20 0 EHADRM CC(C)CC1CCN(C(=O)Nc2ccc(CNC(=O)[O-])cc2)CC1 ZINC000826841244 602279196 /nfs/dbraw/zinc/27/91/96/602279196.db2.gz YYIRFSCUNZFPMQ-UHFFFAOYSA-N -1 0 333.432 3.744 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])c1ccccc1 ZINC000738920882 602281293 /nfs/dbraw/zinc/28/12/93/602281293.db2.gz QVDQGHOAALFPRR-CYBMUJFWSA-N -1 0 339.395 3.652 20 0 EHADRM COc1ccc(C)cc1[C@H](C)NC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000832252430 602290870 /nfs/dbraw/zinc/29/08/70/602290870.db2.gz NGOSDUCAGQEPDX-JTQLQIEISA-N -1 0 334.397 3.646 20 0 EHADRM Cc1oc(-c2ccsc2)nc1CN1CCCC[C@H]1[C@@H](C)NC(=O)[O-] ZINC000740274746 602293376 /nfs/dbraw/zinc/29/33/76/602293376.db2.gz RZXVKYUZZATXHC-ABAIWWIYSA-N -1 0 349.456 3.722 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C[C@@H](C)c1ccncc1 ZINC000827041990 602294357 /nfs/dbraw/zinc/29/43/57/602294357.db2.gz JKARIXMCSPZODX-CYBMUJFWSA-N -1 0 342.395 3.699 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(OCC(=O)[O-])cc2C)ccc1Cl ZINC000192880389 602306652 /nfs/dbraw/zinc/30/66/52/602306652.db2.gz SKKIEBOKLFAYOX-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM CN(C[C@@H]1CCCN(C(=O)Nc2ccccc2C(C)(C)C)C1)C(=O)[O-] ZINC000739637359 602327952 /nfs/dbraw/zinc/32/79/52/602327952.db2.gz JZMVSCTZJFMWKA-AWEZNQCLSA-N -1 0 347.459 3.838 20 0 EHADRM CCC[C@H](NC(=O)[O-])C(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000739315357 602355867 /nfs/dbraw/zinc/35/58/67/602355867.db2.gz RVCSCFUIWZIVEP-DLBZAZTESA-N -1 0 348.443 3.575 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1F ZINC000325876510 602356116 /nfs/dbraw/zinc/35/61/16/602356116.db2.gz ISLYVOBPOKUGSQ-UHFFFAOYSA-N -1 0 341.260 3.724 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(C(=O)[O-])c(F)c1)C(=O)c1cccc(F)c1 ZINC000827234907 602356408 /nfs/dbraw/zinc/35/64/08/602356408.db2.gz JJDMXZUMMLLISH-SNVBAGLBSA-N -1 0 347.317 3.511 20 0 EHADRM CCC[C@@H](NC(=O)[O-])C(=O)Nc1ccccc1Cc1ccccc1 ZINC000739326097 602359801 /nfs/dbraw/zinc/35/98/01/602359801.db2.gz MERHJMJTYASQSC-QGZVFWFLSA-N -1 0 326.396 3.652 20 0 EHADRM C[C@H](c1ccccc1)[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000827671820 602375613 /nfs/dbraw/zinc/37/56/13/602375613.db2.gz LFZPPNYEYXAOAE-RYUDHWBXSA-N -1 0 330.359 3.838 20 0 EHADRM C[C@H](c1ccccc1F)N(C)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000325683461 602381371 /nfs/dbraw/zinc/38/13/71/602381371.db2.gz FTSUDAXGJZAKDZ-SNVBAGLBSA-N -1 0 334.322 3.888 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(CC)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263445690 602385776 /nfs/dbraw/zinc/38/57/76/602385776.db2.gz FWEAOKPWDPGMHR-ABHNRTSZSA-N -1 0 346.471 3.683 20 0 EHADRM CCC[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccccn1 ZINC000829223262 602387459 /nfs/dbraw/zinc/38/74/59/602387459.db2.gz NXGAKEJLZMKQBI-HNNXBMFYSA-N -1 0 331.347 3.582 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCCc2ccccc2Cl)cc1F ZINC000833143592 602390382 /nfs/dbraw/zinc/39/03/82/602390382.db2.gz QZUGCHJZRPITTM-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CC1CCSCC1)c1ccc(Cl)cc1 ZINC000537412698 602391405 /nfs/dbraw/zinc/39/14/05/602391405.db2.gz YMSJGUBNCQYGDM-AWEZNQCLSA-N -1 0 341.860 3.505 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2CCSc3ccccc32)cc1F ZINC000833319430 602394228 /nfs/dbraw/zinc/39/42/28/602394228.db2.gz VJSCVTPERFIKSS-GFCCVEGCSA-N -1 0 331.368 3.742 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2sccc2-n2cccc2)cc1F ZINC000323030047 602394317 /nfs/dbraw/zinc/39/43/17/602394317.db2.gz WAQGIIVQPFERQY-UHFFFAOYSA-N -1 0 330.340 3.628 20 0 EHADRM CCC[C@@H](NC(=O)[O-])c1nc(-c2cccc(Br)c2)no1 ZINC000739329288 602405920 /nfs/dbraw/zinc/40/59/20/602405920.db2.gz MONYUQRSYONJND-SNVBAGLBSA-N -1 0 340.177 3.608 20 0 EHADRM O=C([O-])Nc1cccc(-c2nc(Cc3cccc4cccnc43)no2)c1 ZINC000740026752 602406296 /nfs/dbraw/zinc/40/62/96/602406296.db2.gz BKQYVXROGBBDCW-UHFFFAOYSA-N -1 0 346.346 3.966 20 0 EHADRM CCC[C@H](NC(=O)[O-])c1nc(-c2cc(Br)cs2)no1 ZINC000739323806 602406542 /nfs/dbraw/zinc/40/65/42/602406542.db2.gz ANPVAWBQOYKVNW-ZETCQYMHSA-N -1 0 346.206 3.669 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(-c2cn(C)c3ccccc23)n1 ZINC000738816903 602406811 /nfs/dbraw/zinc/40/68/11/602406811.db2.gz NHEDEJCIQWMZPF-CYBMUJFWSA-N -1 0 328.372 3.583 20 0 EHADRM CC[C@@H](CC(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccccc1 ZINC000739248434 602408024 /nfs/dbraw/zinc/40/80/24/602408024.db2.gz GIDBCXYMTJORLH-HNNXBMFYSA-N -1 0 326.396 3.977 20 0 EHADRM CN(CC1CCN(C(=O)Nc2ccc3ccccc3c2)CC1)C(=O)[O-] ZINC000739650739 602408841 /nfs/dbraw/zinc/40/88/41/602408841.db2.gz IPAMKDDQHSOMGG-UHFFFAOYSA-N -1 0 341.411 3.694 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(CNc2ccccc2Cl)n1 ZINC000738815208 602409605 /nfs/dbraw/zinc/40/96/05/602409605.db2.gz AUPRWZUHEISUFL-LBPRGKRZSA-N -1 0 338.795 3.690 20 0 EHADRM CC(C)c1cccc(OCc2nc(C3(NC(=O)[O-])CCCC3)no2)c1 ZINC000738876302 602411802 /nfs/dbraw/zinc/41/18/02/602411802.db2.gz JJNMNCFCZSXQEU-UHFFFAOYSA-N -1 0 345.399 3.809 20 0 EHADRM CCC[C@@H](NC(=O)N1CCC(CN(C)C(=O)[O-])CC1)c1ccccc1 ZINC000739301876 602413573 /nfs/dbraw/zinc/41/35/73/602413573.db2.gz GRUARFIISZXTJX-QGZVFWFLSA-N -1 0 347.459 3.559 20 0 EHADRM O=C([O-])Nc1ccc(Cc2nc(Cc3ccc(Cl)cc3)no2)cc1 ZINC000740704320 602415696 /nfs/dbraw/zinc/41/56/96/602415696.db2.gz LJMPOXVJDZNBLB-UHFFFAOYSA-N -1 0 343.770 3.995 20 0 EHADRM O=C([O-])NC1(c2noc(Cc3ccc(Cl)cc3Cl)n2)CCC1 ZINC000740549380 602418960 /nfs/dbraw/zinc/41/89/60/602418960.db2.gz UYKOHGZMRUEGKO-UHFFFAOYSA-N -1 0 342.182 3.614 20 0 EHADRM O=C([O-])N1CCCc2cc(Nc3nccc(C(F)(F)F)n3)ccc21 ZINC000740524526 602435402 /nfs/dbraw/zinc/43/54/02/602435402.db2.gz YHRBXAJRANGEES-UHFFFAOYSA-N -1 0 338.289 3.670 20 0 EHADRM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CC1CCN(C(=O)[O-])CC1 ZINC000738891185 602438116 /nfs/dbraw/zinc/43/81/16/602438116.db2.gz QGZPPUQLCNJXMJ-HNNXBMFYSA-N -1 0 344.455 3.594 20 0 EHADRM Cc1ccc(-c2nc(CN3CCC([C@H](C)NC(=O)[O-])CC3)co2)cc1 ZINC000740092594 602448158 /nfs/dbraw/zinc/44/81/58/602448158.db2.gz MZNBBLFJZOEFKV-AWEZNQCLSA-N -1 0 343.427 3.518 20 0 EHADRM C[C@H](NC(=O)Nc1cccc(CNC(=O)[O-])c1)c1cccc(Cl)c1 ZINC000738978965 602451433 /nfs/dbraw/zinc/45/14/33/602451433.db2.gz DZZOACIMTFHFPL-NSHDSACASA-N -1 0 347.802 3.990 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)NCCC1=CCCCC1)c1ccccc1 ZINC000740541018 602455361 /nfs/dbraw/zinc/45/53/61/602455361.db2.gz YNOANAVLFKWAEY-KRWDZBQOSA-N -1 0 330.428 3.782 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)CC[C@H](NC(=O)[O-])c2ccccc2)o1 ZINC000740112262 602459158 /nfs/dbraw/zinc/45/91/58/602459158.db2.gz BOFCCKDFOTYZKJ-ZFWWWQNUSA-N -1 0 330.384 3.554 20 0 EHADRM CCN(Cc1ccccc1NC(=O)[C@H]1CCc2ccccc21)C(=O)[O-] ZINC000739443987 602460544 /nfs/dbraw/zinc/46/05/44/602460544.db2.gz MFEAVPUPAGXCPY-KRWDZBQOSA-N -1 0 338.407 3.855 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000740133057 602465081 /nfs/dbraw/zinc/46/50/81/602465081.db2.gz NFQXSMCSYXCEOR-NSHDSACASA-N -1 0 339.823 3.548 20 0 EHADRM CC(C)(NC(=O)CC[C@H](NC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000738752290 602465544 /nfs/dbraw/zinc/46/55/44/602465544.db2.gz GIDABNDKVFOQCQ-KRWDZBQOSA-N -1 0 340.423 3.827 20 0 EHADRM Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000740153804 602486448 /nfs/dbraw/zinc/48/64/48/602486448.db2.gz NNXBIBXHXBZJJR-OAHLLOKOSA-N -1 0 328.343 3.641 20 0 EHADRM CN(C)c1ccc([C@H]2C[C@H]2C(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000737375973 602488350 /nfs/dbraw/zinc/48/83/50/602488350.db2.gz AJVXWMRNODIOLC-IAGOWNOFSA-N -1 0 339.395 3.585 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@@H]3CCCCN3C(=O)[O-])c2)cs1 ZINC000740209558 602493157 /nfs/dbraw/zinc/49/31/57/602493157.db2.gz MFGHPFZFAMOLDW-HNNXBMFYSA-N -1 0 345.424 3.590 20 0 EHADRM CCOc1ccc(SCC(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000739503010 602499739 /nfs/dbraw/zinc/49/97/39/602499739.db2.gz GGDZEMTVLYJHKV-UHFFFAOYSA-N -1 0 346.408 3.906 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cnc(-c3ccccn3)s2)cc1 ZINC000738667548 602504959 /nfs/dbraw/zinc/50/49/59/602504959.db2.gz RVIWHIIRSBAVDF-UHFFFAOYSA-N -1 0 340.364 3.547 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)Cc3c[nH]c4ccccc34)ccc21 ZINC000740382061 602506404 /nfs/dbraw/zinc/50/64/04/602506404.db2.gz YETBIEVLNXAPBO-UHFFFAOYSA-N -1 0 349.390 3.780 20 0 EHADRM COCc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])cc1 ZINC000739842255 602506669 /nfs/dbraw/zinc/50/66/69/602506669.db2.gz BOLCQKZMTVLPRM-UHFFFAOYSA-N -1 0 340.379 3.516 20 0 EHADRM CC(C)c1ccc([C@@H](C)NC(=O)N2CCC(N(C)C(=O)[O-])CC2)cc1 ZINC000737650639 602540182 /nfs/dbraw/zinc/54/01/82/602540182.db2.gz IJJSFYHCEAUBNW-CQSZACIVSA-N -1 0 347.459 3.655 20 0 EHADRM CN(C(=O)[O-])C1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1 ZINC000737930409 602558130 /nfs/dbraw/zinc/55/81/30/602558130.db2.gz UEMMBIHARHSTNH-UHFFFAOYSA-N -1 0 333.432 3.590 20 0 EHADRM O=C([O-])NC1CCN(C(=O)Nc2ccc(-c3ccccc3)cc2)CC1 ZINC000740587093 602580434 /nfs/dbraw/zinc/58/04/34/602580434.db2.gz ZBMFMVNHXOKPRP-UHFFFAOYSA-N -1 0 339.395 3.618 20 0 EHADRM Cc1cccc(C)c1NC(=O)N1CCC[C@H]([C@@H]2CCCN2C(=O)[O-])C1 ZINC000740165620 602581608 /nfs/dbraw/zinc/58/16/08/602581608.db2.gz GKMYHLQDUMSMEZ-HOTGVXAUSA-N -1 0 345.443 3.690 20 0 EHADRM CCCCCc1ccc(NC(=O)N2CC[C@H](CN(C)C(=O)[O-])C2)cc1 ZINC000739327042 602581913 /nfs/dbraw/zinc/58/19/13/602581913.db2.gz PJCXQQPHJQEZBX-MRXNPFEDSA-N -1 0 347.459 3.883 20 0 EHADRM O=C([O-])NC1CCN(C(=O)Nc2ccccc2-c2cccs2)CC1 ZINC000740588161 602584252 /nfs/dbraw/zinc/58/42/52/602584252.db2.gz DYWKHKGRJRPRFF-UHFFFAOYSA-N -1 0 345.424 3.679 20 0 EHADRM CC(C)CCc1ccc(NC(=O)N2CC[C@H](CN(C)C(=O)[O-])C2)cc1 ZINC000738820532 602593373 /nfs/dbraw/zinc/59/33/73/602593373.db2.gz GXDVYAKNIDUZSX-MRXNPFEDSA-N -1 0 347.459 3.739 20 0 EHADRM CCN(CCC(F)(F)F)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739414133 602595856 /nfs/dbraw/zinc/59/58/56/602595856.db2.gz DJBHVUDJYCYISY-UHFFFAOYSA-N -1 0 345.321 3.533 20 0 EHADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000738934106 602596695 /nfs/dbraw/zinc/59/66/95/602596695.db2.gz QBLWSFJFKWJEFP-ZDUSSCGKSA-N -1 0 343.383 3.599 20 0 EHADRM Cc1cccc2c1OCC[C@H]2NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000740182081 602599773 /nfs/dbraw/zinc/59/97/73/602599773.db2.gz VJKISKBKNBVPNB-OAHLLOKOSA-N -1 0 341.367 3.730 20 0 EHADRM CC(C)Oc1cccc(CNC(=O)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000738867465 602600606 /nfs/dbraw/zinc/60/06/06/602600606.db2.gz ZCSKLSFCEDNDSH-UHFFFAOYSA-N -1 0 343.383 3.885 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000740710562 602602591 /nfs/dbraw/zinc/60/25/91/602602591.db2.gz SNYGYJUMMWEDRP-MRXNPFEDSA-N -1 0 325.368 3.976 20 0 EHADRM O=C([O-])NC[C@@H](NC(=O)Nc1ccc2[nH]ccc2c1)C1CCCCC1 ZINC000740606910 602604201 /nfs/dbraw/zinc/60/42/01/602604201.db2.gz BNNDBKNAFUJORB-MRXNPFEDSA-N -1 0 344.415 3.506 20 0 EHADRM CC(C)c1ccc([C@H](C)NC(=O)N2CC[C@@H](CN(C)C(=O)[O-])C2)cc1 ZINC000738875404 602610010 /nfs/dbraw/zinc/61/00/10/602610010.db2.gz GKOGLSLMZJALIV-GJZGRUSLSA-N -1 0 347.459 3.512 20 0 EHADRM CC(=O)c1ccc(OC(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000738604971 602642635 /nfs/dbraw/zinc/64/26/35/602642635.db2.gz ZBOQYQUTVSLPBO-QGZVFWFLSA-N -1 0 341.363 3.584 20 0 EHADRM COCCCCC(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000739811718 602643549 /nfs/dbraw/zinc/64/35/49/602643549.db2.gz VXUYLHNYYUSXQD-UHFFFAOYSA-N -1 0 334.294 3.551 20 0 EHADRM COc1ccc(NC(=O)[C@H](C)Cc2ccccc2)cc1NC(=O)[O-] ZINC000739917877 602656995 /nfs/dbraw/zinc/65/69/95/602656995.db2.gz YKDJUQJUQLLEIB-GFCCVEGCSA-N -1 0 328.368 3.602 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)OC[C@H]1CC1(Cl)Cl)c1ccccc1 ZINC000740540566 602657487 /nfs/dbraw/zinc/65/74/87/602657487.db2.gz RZXLPPCQTFCVTQ-NEPJUHHUSA-N -1 0 346.210 3.513 20 0 EHADRM CC1(c2ccccc2)CC(NC(=O)Cc2ccc(NC(=O)[O-])cc2)C1 ZINC000739071406 602673623 /nfs/dbraw/zinc/67/36/23/602673623.db2.gz LLUNCWRABXGQHQ-UHFFFAOYSA-N -1 0 338.407 3.556 20 0 EHADRM CC[C@H](C)N(Cc1ccccc1)C(=O)CC1CCN(C(=O)[O-])CC1 ZINC000739238646 602675225 /nfs/dbraw/zinc/67/52/25/602675225.db2.gz AWPZVUNYZWYTLN-HNNXBMFYSA-N -1 0 332.444 3.594 20 0 EHADRM Cc1cnc(-c2cccc(NC(=O)C3(NC(=O)[O-])CCCCC3)c2)o1 ZINC000740197286 602686442 /nfs/dbraw/zinc/68/64/42/602686442.db2.gz SVWIAULDDCOOLA-UHFFFAOYSA-N -1 0 343.383 3.559 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)NC2(c3ccc(Cl)cc3)CC2)cc1 ZINC000740702593 602688432 /nfs/dbraw/zinc/68/84/32/602688432.db2.gz CSOXQYUAXHSJQG-UHFFFAOYSA-N -1 0 344.798 3.778 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000738663507 602695691 /nfs/dbraw/zinc/69/56/91/602695691.db2.gz INZBGQKLGIGBOS-QWHCGFSZSA-N -1 0 332.306 3.797 20 0 EHADRM CC1(C)CCCN(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])C1 ZINC000739065118 602739117 /nfs/dbraw/zinc/73/91/17/602739117.db2.gz LSVABMWZBYXUIU-UHFFFAOYSA-N -1 0 331.416 3.771 20 0 EHADRM CC(C)[C@H](NC(=O)C1CCN(C(=O)[O-])CC1)c1ccccc1Cl ZINC000737613684 602759095 /nfs/dbraw/zinc/75/90/95/602759095.db2.gz ZEKBSXGUAJUTSQ-HNNXBMFYSA-N -1 0 338.835 3.543 20 0 EHADRM CCN(Cc1ccc(Cl)cc1)C(=O)CCC(C)(C)NC(=O)[O-] ZINC000739439881 602789085 /nfs/dbraw/zinc/78/90/85/602789085.db2.gz QWTZJWDDYSIIML-UHFFFAOYSA-N -1 0 326.824 3.515 20 0 EHADRM C[C@H](NC(=O)CCC(C)(C)NC(=O)[O-])c1ccccc1C(F)(F)F ZINC000738960273 602796074 /nfs/dbraw/zinc/79/60/74/602796074.db2.gz KFOVJSMHNPDUFF-JTQLQIEISA-N -1 0 346.349 3.709 20 0 EHADRM CC(C)(CCC(=O)Nc1ccc2nc(C3CC3)sc2c1)NC(=O)[O-] ZINC000738744855 602796947 /nfs/dbraw/zinc/79/69/47/602796947.db2.gz SUOMSKKWAVXSAC-UHFFFAOYSA-N -1 0 347.440 3.939 20 0 EHADRM Cc1ccc(OCCCNC(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1 ZINC000830406400 602797686 /nfs/dbraw/zinc/79/76/86/602797686.db2.gz DTDBEOUJAVBAPQ-UHFFFAOYSA-N -1 0 342.395 3.592 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000738945565 602801212 /nfs/dbraw/zinc/80/12/12/602801212.db2.gz BRAMVYLOCMUYGW-GFCCVEGCSA-N -1 0 342.370 3.684 20 0 EHADRM C[C@@H](C(=O)Nc1cccc2[nH]ccc21)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823724205 602809922 /nfs/dbraw/zinc/80/99/22/602809922.db2.gz OLJHBWDMIAKGAR-PXAZEXFGSA-N -1 0 337.379 3.751 20 0 EHADRM CCN(Cc1cccc(NC(=O)[C@H](C)c2cccs2)c1)C(=O)[O-] ZINC000739441440 602823069 /nfs/dbraw/zinc/82/30/69/602823069.db2.gz MNYGNHHHNZOKBY-GFCCVEGCSA-N -1 0 332.425 3.990 20 0 EHADRM CCN(C(=O)Nc1ccc(NC(=O)[O-])cc1)[C@@H](C)c1cccnc1 ZINC000737058995 602824517 /nfs/dbraw/zinc/82/45/17/602824517.db2.gz YMKIHYZNZXOCNB-LBPRGKRZSA-N -1 0 328.372 3.787 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NCCc2ccc(F)cc2Cl)cc1 ZINC000738660563 602843591 /nfs/dbraw/zinc/84/35/91/602843591.db2.gz LPSCSYJEOARMPF-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM COc1ccccc1C(C)(C)NC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000829592512 602845515 /nfs/dbraw/zinc/84/55/15/602845515.db2.gz RPKZIQJXQPLCLU-UHFFFAOYSA-N -1 0 342.395 3.759 20 0 EHADRM CCC[C@@H](CC1CCCCC1)C(=O)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737804116 602848588 /nfs/dbraw/zinc/84/85/88/602848588.db2.gz VEUUJMGDEHXTHF-INIZCTEOSA-N -1 0 338.492 3.974 20 0 EHADRM CCSc1ccc([C@@H](C)NC(=O)C[C@@H]2CCCN2C(=O)[O-])cc1 ZINC000827508622 602851223 /nfs/dbraw/zinc/85/12/23/602851223.db2.gz PFJSCQVSRZBTFQ-OCCSQVGLSA-N -1 0 336.457 3.508 20 0 EHADRM CCO[C@@H](C)c1ncc(C(=O)Nc2ccc(NC(=O)[O-])cc2)s1 ZINC000827363111 602857546 /nfs/dbraw/zinc/85/75/46/602857546.db2.gz VZTIFVWKWXSKJZ-VIFPVBQESA-N -1 0 335.385 3.583 20 0 EHADRM CC(C)(C)[C@@H]1CCCN(C(=O)c2ccc(NC(=O)[O-])cc2O)CC1 ZINC000738674398 602866408 /nfs/dbraw/zinc/86/64/08/602866408.db2.gz DOQBBDOJFIJRBZ-GFCCVEGCSA-N -1 0 334.416 3.771 20 0 EHADRM CCCCCC[C@@H](C)C(=O)N1CCC([C@@H]2CCCN2C(=O)[O-])CC1 ZINC000739328978 602868117 /nfs/dbraw/zinc/86/81/17/602868117.db2.gz GUNRDIBIXJFQCF-WBVHZDCISA-N -1 0 338.492 3.974 20 0 EHADRM CC[C@@H](Cc1nc(C2(NC(=O)[O-])CCC2)no1)c1ccc(C)cc1 ZINC000739258505 602930186 /nfs/dbraw/zinc/93/01/86/602930186.db2.gz GCKHBHHTUMAQIP-ZDUSSCGKSA-N -1 0 329.400 3.761 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc([C@H](C)Cc2ccccc2F)n1 ZINC000738817121 602930211 /nfs/dbraw/zinc/93/02/11/602930211.db2.gz QDSOQTCYLNGEPX-BXUZGUMPSA-N -1 0 335.379 3.910 20 0 EHADRM CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)C[C@@H](C)NC(=O)[O-] ZINC000824552583 602930655 /nfs/dbraw/zinc/93/06/55/602930655.db2.gz RIWPJBGAKNKYOH-IAQYHMDHSA-N -1 0 326.824 3.542 20 0 EHADRM Cc1cc(C)c(NC(=O)N[C@H]2CCCCN(C(=O)[O-])C2)c(Cl)c1 ZINC000740067235 602941582 /nfs/dbraw/zinc/94/15/82/602941582.db2.gz VDTPHLRHEOYHNM-LBPRGKRZSA-N -1 0 339.823 3.611 20 0 EHADRM C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)CC(C)(C)NC(=O)[O-] ZINC000739053074 602951174 /nfs/dbraw/zinc/95/11/74/602951174.db2.gz JDRMQVRMQOZSEW-SNVBAGLBSA-N -1 0 346.349 3.661 20 0 EHADRM Cc1cc(F)cc2[nH]c(C(=O)Nc3ccc(NC(=O)[O-])cc3)cc21 ZINC000738230691 602956747 /nfs/dbraw/zinc/95/67/47/602956747.db2.gz SZOQQOREHXGPCX-UHFFFAOYSA-N -1 0 327.315 3.958 20 0 EHADRM C[C@@H](CC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1)NC(=O)[O-] ZINC000824583944 602957595 /nfs/dbraw/zinc/95/75/95/602957595.db2.gz WKJMBNDLJHTNCO-SWLSCSKDSA-N -1 0 338.835 3.830 20 0 EHADRM Cc1ccc(C(=O)N2CCc3cccc(F)c3[C@@H]2C)cc1NC(=O)[O-] ZINC000830198950 602973841 /nfs/dbraw/zinc/97/38/41/602973841.db2.gz PUSFRICLTPHYDO-LBPRGKRZSA-N -1 0 342.370 3.984 20 0 EHADRM Cc1ccc(C(=O)NC2(c3cccc(F)c3)CC2)cc1NC(=O)[O-] ZINC000830206230 602977611 /nfs/dbraw/zinc/97/76/11/602977611.db2.gz XZXKPUVDJISUKT-UHFFFAOYSA-N -1 0 328.343 3.643 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(-c2ccc3ncsc3c2)n1 ZINC000738815572 603000136 /nfs/dbraw/zinc/00/01/36/603000136.db2.gz HKJGPAJGKGTGCB-NSHDSACASA-N -1 0 332.385 3.701 20 0 EHADRM CC(C)c1ccccc1OCc1nc(C2(NC(=O)[O-])CCCC2)no1 ZINC000738875753 603002552 /nfs/dbraw/zinc/00/25/52/603002552.db2.gz HKEFHXYEOWUXCT-UHFFFAOYSA-N -1 0 345.399 3.809 20 0 EHADRM CC(C)(CC(=O)N[C@H](Cc1ccccc1)c1cccs1)NC(=O)[O-] ZINC000738731335 603002598 /nfs/dbraw/zinc/00/25/98/603002598.db2.gz DPMBIPIVTWGAHF-CQSZACIVSA-N -1 0 346.452 3.584 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-])c1cccc(Cl)c1Cl ZINC000738958024 603004989 /nfs/dbraw/zinc/00/49/89/603004989.db2.gz FMELYAMTTLQCCX-MKPLZMMCSA-N -1 0 345.226 3.607 20 0 EHADRM Cc1ccccc1-c1noc(CC[C@H](NC(=O)[O-])c2ccccc2)n1 ZINC000740178846 603006119 /nfs/dbraw/zinc/00/61/19/603006119.db2.gz NNVWWSRFTKQVAE-INIZCTEOSA-N -1 0 337.379 3.987 20 0 EHADRM C[C@@H](C(=O)N1C2CCCC1CCC2)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823662346 603006837 /nfs/dbraw/zinc/00/68/37/603006837.db2.gz NHVLJJLYHAVTPU-LHUBUQBQSA-N -1 0 330.428 3.565 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc(Cc2c[nH]c3cc(Cl)ccc23)n1 ZINC000738916105 603023081 /nfs/dbraw/zinc/02/30/81/603023081.db2.gz YQEWSWHMBBYJJW-SECBINFHSA-N -1 0 348.790 3.508 20 0 EHADRM C[C@@H](CN(C)C(=O)[O-])c1noc(Cc2c[nH]c3cc(Cl)ccc23)n1 ZINC000738916108 603023130 /nfs/dbraw/zinc/02/31/30/603023130.db2.gz YQEWSWHMBBYJJW-VIFPVBQESA-N -1 0 348.790 3.508 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)CCCOc2cccc(F)c2)cc1 ZINC000827908765 603037211 /nfs/dbraw/zinc/03/72/11/603037211.db2.gz ROKCULCKNKCOBI-UHFFFAOYSA-N -1 0 347.342 3.705 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)NC/C=C\c2ccccc2)c1 ZINC000740707073 603039926 /nfs/dbraw/zinc/03/99/26/603039926.db2.gz MJDFAWJOFTXAJH-DAXSKMNVSA-N -1 0 329.331 3.751 20 0 EHADRM COc1ccc(CN(C)C(=O)Nc2cc(NC(=O)[O-])ccc2F)cc1 ZINC000739910543 603042677 /nfs/dbraw/zinc/04/26/77/603042677.db2.gz XWWXTSUHSBOACS-UHFFFAOYSA-N -1 0 347.346 3.588 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)CCc2ccccc2Cl)cc1 ZINC000827908412 603042976 /nfs/dbraw/zinc/04/29/76/603042976.db2.gz JXNBZTFAHOSJTG-UHFFFAOYSA-N -1 0 333.771 3.992 20 0 EHADRM CC(C)(CNC(=O)c1cccc(NC(=O)[O-])c1)c1cccc(F)c1 ZINC000736324590 603054185 /nfs/dbraw/zinc/05/41/85/603054185.db2.gz UAJDBMDEPBLODV-UHFFFAOYSA-N -1 0 330.359 3.623 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)[C@@H]2CSc3ccccc32)c1 ZINC000740707443 603054323 /nfs/dbraw/zinc/05/43/23/603054323.db2.gz QIRUZDMVNNSGHX-LLVKDONJSA-N -1 0 332.356 3.744 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)C2CCC(NC(=O)[O-])CC2)C1 ZINC000825851321 603060983 /nfs/dbraw/zinc/06/09/83/603060983.db2.gz HMPAGWRTUNLRCV-VBRUCIBASA-N -1 0 348.418 3.562 20 0 EHADRM CC(C)(C)c1ccc(CCC(=O)NC2CCC(NC(=O)[O-])CC2)cc1 ZINC000738731957 603067479 /nfs/dbraw/zinc/06/74/79/603067479.db2.gz UWNDNOMVWGZHIB-UHFFFAOYSA-N -1 0 346.471 3.612 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)N2CCC(C3CCCC3)CC2)cc1 ZINC000832841588 603068533 /nfs/dbraw/zinc/06/85/33/603068533.db2.gz YWOCAAALRAEJCK-UHFFFAOYSA-N -1 0 330.428 3.748 20 0 EHADRM Cc1cccc([C@H]2CCCCN2C(=O)C2CCN(C(=O)[O-])CC2)c1C ZINC000830492209 603098308 /nfs/dbraw/zinc/09/83/08/603098308.db2.gz HMQWRVMWOXJEMB-GOSISDBHSA-N -1 0 344.455 3.747 20 0 EHADRM CN(Cc1cccc(NC(=O)CNc2cccc(Cl)c2)c1)C(=O)[O-] ZINC000739707620 603106705 /nfs/dbraw/zinc/10/67/05/603106705.db2.gz WGBLBIUBMASOPU-UHFFFAOYSA-N -1 0 347.802 3.500 20 0 EHADRM CN(Cc1ccccc1NC(=O)CNc1cccc(Cl)c1)C(=O)[O-] ZINC000739715671 603109297 /nfs/dbraw/zinc/10/92/97/603109297.db2.gz TZWGCLVHHCSETL-UHFFFAOYSA-N -1 0 347.802 3.500 20 0 EHADRM CCN(Cc1ccoc1)C(=O)Nc1cccc(CN(CC)C(=O)[O-])c1 ZINC000739441164 603142910 /nfs/dbraw/zinc/14/29/10/603142910.db2.gz DXTXEMANUNJXKX-UHFFFAOYSA-N -1 0 345.399 3.834 20 0 EHADRM CC[C@H](C)N(Cc1ccccc1)C(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000739242730 603153858 /nfs/dbraw/zinc/15/38/58/603153858.db2.gz DRPALENEAYSGMK-OOHWJJMZSA-N -1 0 347.459 3.576 20 0 EHADRM C[C@@H](NC(=O)COc1ccc(NC(=O)[O-])cc1)c1ccccc1Cl ZINC000737681682 603155864 /nfs/dbraw/zinc/15/58/64/603155864.db2.gz AADUAQLFLOPDQS-LLVKDONJSA-N -1 0 348.786 3.686 20 0 EHADRM CSc1ccccc1NC(=O)[C@H](C)Oc1ccc(NC(=O)[O-])cc1 ZINC000829771221 603157219 /nfs/dbraw/zinc/15/72/19/603157219.db2.gz BGVQRTGLNDGRPM-NSHDSACASA-N -1 0 346.408 3.904 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@H](C(=O)N(Cc2ccco2)c2ccccc2)C1 ZINC000740564019 603159158 /nfs/dbraw/zinc/15/91/58/603159158.db2.gz MCZNYLCQINTLFF-GJZGRUSLSA-N -1 0 342.395 3.639 20 0 EHADRM CCCn1c(C)cc(C(=O)COc2ccc(N(C)C(=O)[O-])cc2)c1C ZINC000826958594 603159681 /nfs/dbraw/zinc/15/96/81/603159681.db2.gz HNRUJVQXJKCOBZ-UHFFFAOYSA-N -1 0 344.411 3.891 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)Nc2ccc(Cl)c3ncccc23)C1 ZINC000740575954 603163589 /nfs/dbraw/zinc/16/35/89/603163589.db2.gz SNMPJHMVVQUQRZ-WDEREUQCSA-N -1 0 347.802 3.653 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000740714542 603172536 /nfs/dbraw/zinc/17/25/36/603172536.db2.gz RQVDPPTZOGBCRJ-QWRGUYRKSA-N -1 0 332.306 3.797 20 0 EHADRM COc1ccc(CCC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)cc1 ZINC000829340565 603175720 /nfs/dbraw/zinc/17/57/20/603175720.db2.gz GZAYAZFGDJQYKE-ZDUSSCGKSA-N -1 0 342.395 3.595 20 0 EHADRM COc1ccc([C@H](C)C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1 ZINC000829292333 603178225 /nfs/dbraw/zinc/17/82/25/603178225.db2.gz DRPOBRWDJFMRKQ-QWHCGFSZSA-N -1 0 342.395 3.766 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1 ZINC000825414965 603182607 /nfs/dbraw/zinc/18/26/07/603182607.db2.gz CODWRTGQMDNQPG-YMRXKLBXSA-N -1 0 342.370 3.897 20 0 EHADRM Cc1cc(Nc2ccc([C@@H](C)NC(=O)[O-])cc2)nc(-c2ccccn2)n1 ZINC000830123311 603206914 /nfs/dbraw/zinc/20/69/14/603206914.db2.gz UDPNIGFRMQMFTJ-CYBMUJFWSA-N -1 0 349.394 3.919 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NC1CCCCC1 ZINC000829173279 603210353 /nfs/dbraw/zinc/21/03/53/603210353.db2.gz GWAMLFGQILUHHZ-UHFFFAOYSA-N -1 0 326.780 3.501 20 0 EHADRM COc1cccc([C@H](C)NC(=O)c2ccc(NC(=O)[O-])cc2Cl)c1 ZINC000739946674 603214165 /nfs/dbraw/zinc/21/41/65/603214165.db2.gz XBUQREIRRCNPSF-JTQLQIEISA-N -1 0 348.786 3.930 20 0 EHADRM C[C@H](Cc1cccs1)NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000738951631 603217265 /nfs/dbraw/zinc/21/72/65/603217265.db2.gz SZIAQSINPZFLMW-SECBINFHSA-N -1 0 338.816 3.852 20 0 EHADRM CCCN(CC(F)(F)F)C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739353920 603219772 /nfs/dbraw/zinc/21/97/72/603219772.db2.gz NAXBHACWMORFOT-UHFFFAOYSA-N -1 0 338.713 3.844 20 0 EHADRM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)C2CCC(NC(=O)[O-])CC2)o1 ZINC000830284179 603230831 /nfs/dbraw/zinc/23/08/31/603230831.db2.gz ZQHQPLCCZFWLCU-HOJRLLLISA-N -1 0 348.443 3.714 20 0 EHADRM O=C([O-])NC[C@H]1CCCN1C(=O)Nc1ccccc1-c1ccccc1 ZINC000832561356 603252893 /nfs/dbraw/zinc/25/28/93/603252893.db2.gz HUPUBJYYQLGLMD-OAHLLOKOSA-N -1 0 339.395 3.618 20 0 EHADRM O=C([O-])N1CCC[C@H]1[C@H]1CCCN(C(=O)C2CCCCCCC2)C1 ZINC000740347685 603253246 /nfs/dbraw/zinc/25/32/46/603253246.db2.gz PSGQAZUPPVIKJM-IRXDYDNUSA-N -1 0 336.476 3.728 20 0 EHADRM COc1cc(C)ccc1OC(=O)[C@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000829101982 603253861 /nfs/dbraw/zinc/25/38/61/603253861.db2.gz PUDAZLNOFTWJPI-DYVFJYSZSA-N -1 0 343.379 3.554 20 0 EHADRM Cc1cc(C)c(NC(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[O-])c(Cl)c1 ZINC000829991548 603256434 /nfs/dbraw/zinc/25/64/34/603256434.db2.gz UVPQMYYLCBFXPZ-DGCLKSJQSA-N -1 0 339.823 3.515 20 0 EHADRM CCO[C@H]1C[C@@H](N(C)C(=O)c2cccc(NC(=O)[O-])c2)C12CCCC2 ZINC000737158888 603260934 /nfs/dbraw/zinc/26/09/34/603260934.db2.gz USQZWYIIXMDGGK-CVEARBPZSA-N -1 0 346.427 3.586 20 0 EHADRM C[C@@H](C(=O)Nc1cnc2ccccc2c1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823725150 603271356 /nfs/dbraw/zinc/27/13/56/603271356.db2.gz XCSUKEWGIHHQPU-ACJLOTCBSA-N -1 0 349.390 3.818 20 0 EHADRM CCN(Cc1ccccc1)C(=O)[C@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000827171084 603275485 /nfs/dbraw/zinc/27/54/85/603275485.db2.gz LYBGLIUXKAYABB-CRAIPNDOSA-N -1 0 340.423 3.680 20 0 EHADRM CCc1ccc([C@H]2CCCCN2C(=O)CC2CCN(C(=O)[O-])CC2)o1 ZINC000739544045 603278144 /nfs/dbraw/zinc/27/81/44/603278144.db2.gz QWWWHBNCQJCIFX-MRXNPFEDSA-N -1 0 348.443 3.676 20 0 EHADRM CCCCCCNC(=O)c1cc(Cl)c(NC(=O)[O-])cc1OC ZINC000826820332 603280885 /nfs/dbraw/zinc/28/08/85/603280885.db2.gz LKJRGEYASOSQIK-UHFFFAOYSA-N -1 0 328.796 3.749 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NCc1cccc(C)c1 ZINC000829188637 603290902 /nfs/dbraw/zinc/29/09/02/603290902.db2.gz XZBWTALYGOGEJT-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM O=C([O-])N1CCc2c(cccc2NC(=O)N2CCC[C@H]2C2CCC2)C1 ZINC000740530426 603293101 /nfs/dbraw/zinc/29/31/01/603293101.db2.gz WRZWQRDCENATEQ-KRWDZBQOSA-N -1 0 343.427 3.519 20 0 EHADRM O=C([O-])N1CCC[C@H]1CC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000832004968 603296839 /nfs/dbraw/zinc/29/68/39/603296839.db2.gz HXRDMJGBIWCJDB-LSDHHAIUSA-N -1 0 336.819 3.536 20 0 EHADRM O=C([O-])N1CCC[C@@H]1CC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000832004958 603296903 /nfs/dbraw/zinc/29/69/03/603296903.db2.gz HXRDMJGBIWCJDB-CABCVRRESA-N -1 0 336.819 3.536 20 0 EHADRM C[C@H](NC(=O)[C@H](NC(=O)[O-])c1cccc(Cl)c1)c1ccccc1 ZINC000738953930 603306608 /nfs/dbraw/zinc/30/66/08/603306608.db2.gz SVXPTMDPVSLBFC-XHDPSFHLSA-N -1 0 332.787 3.526 20 0 EHADRM CCC[C@H](CC1CCCCC1)C(=O)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739306652 603320253 /nfs/dbraw/zinc/32/02/53/603320253.db2.gz RHLLZXDGFQDIQS-DJIMGWMZSA-N -1 0 338.492 3.878 20 0 EHADRM Cc1cc(C)c(CNC(=O)Nc2cccc(CNC(=O)[O-])c2)c(C)c1 ZINC000740062401 603322285 /nfs/dbraw/zinc/32/22/85/603322285.db2.gz AHHPEPJXXLMKAT-UHFFFAOYSA-N -1 0 341.411 3.701 20 0 EHADRM CN(Cc1ccccc1NC(=O)N[C@H]1C[C@H]1C1CCCCC1)C(=O)[O-] ZINC000828399591 603328078 /nfs/dbraw/zinc/32/80/78/603328078.db2.gz BYXCDWWTOIHBHS-RDJZCZTQSA-N -1 0 345.443 3.887 20 0 EHADRM Cc1ccc(CC[C@H](C)NC(=O)Nc2cc(NC(=O)[O-])ccc2F)o1 ZINC000830297251 603328901 /nfs/dbraw/zinc/32/89/01/603328901.db2.gz ZPWVSPLUAJADMA-JTQLQIEISA-N -1 0 349.362 3.960 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)Nc2ccccc2CN(C)C(=O)[O-])[C@H](C)C1 ZINC000739084080 603333455 /nfs/dbraw/zinc/33/34/55/603333455.db2.gz GZHPLAGAUQPQCP-NFAWXSAZSA-N -1 0 333.432 3.743 20 0 EHADRM C[C@@H](C1CC1)N(C(=O)Nc1cccc(CN(C)C(=O)[O-])c1)C1CC1 ZINC000824545053 603336210 /nfs/dbraw/zinc/33/62/10/603336210.db2.gz UOJQCOYWVGQEJO-LBPRGKRZSA-N -1 0 331.416 3.591 20 0 EHADRM CN(CCc1cccs1)C(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000828375736 603338177 /nfs/dbraw/zinc/33/81/77/603338177.db2.gz QZMWYHRDJPXXAI-UHFFFAOYSA-N -1 0 347.440 3.564 20 0 EHADRM CN(Cc1ccccc1NC(=O)N1CCC[C@H]1c1ccco1)C(=O)[O-] ZINC000739712570 603339399 /nfs/dbraw/zinc/33/93/99/603339399.db2.gz FWBDDHRMJFNEBN-HNNXBMFYSA-N -1 0 343.383 3.758 20 0 EHADRM Cc1ccc(CN(C)C(=O)Nc2ccccc2CN(C)C(=O)[O-])s1 ZINC000740123938 603340167 /nfs/dbraw/zinc/34/01/67/603340167.db2.gz YBLCFRVCKXUZIN-UHFFFAOYSA-N -1 0 347.440 3.830 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N1CCC[C@H]1C(C)C)C(=O)[O-] ZINC000739444731 603349620 /nfs/dbraw/zinc/34/96/20/603349620.db2.gz CHYAAMAFYJIWJE-INIZCTEOSA-N -1 0 333.432 3.839 20 0 EHADRM CC[C@@H]1CCCN(C(=O)Nc2ccccc2CN(CC)C(=O)[O-])C1 ZINC000739265206 603350637 /nfs/dbraw/zinc/35/06/37/603350637.db2.gz BNMOUEKNANYXFQ-CQSZACIVSA-N -1 0 333.432 3.840 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N(C)Cc1ccoc1C)C(=O)[O-] ZINC000739445397 603353056 /nfs/dbraw/zinc/35/30/56/603353056.db2.gz GGQFLVLYDBGUBH-UHFFFAOYSA-N -1 0 345.399 3.752 20 0 EHADRM C[C@@H](CCc1ccco1)NC(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000738907187 603355827 /nfs/dbraw/zinc/35/58/27/603355827.db2.gz MBBYWPAXLHJARU-ZDUSSCGKSA-N -1 0 345.399 3.532 20 0 EHADRM C[C@H](CC(=O)Nc1ccccc1Oc1cccc(F)c1)NC(=O)[O-] ZINC000824702706 603386208 /nfs/dbraw/zinc/38/62/08/603386208.db2.gz FKEYHNFWPCKSLG-LLVKDONJSA-N -1 0 332.331 3.603 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)NCc2ccc(Cl)o2)cc1 ZINC000825433904 603386819 /nfs/dbraw/zinc/38/68/19/603386819.db2.gz HYFFRPJOFWLGOV-VIFPVBQESA-N -1 0 337.763 3.583 20 0 EHADRM CN(C(=O)c1ccc(CNC(=O)[O-])o1)c1ccc(C(C)(C)C)cc1 ZINC000827933318 603388393 /nfs/dbraw/zinc/38/83/93/603388393.db2.gz WSFUDSHBZGQIFA-UHFFFAOYSA-N -1 0 330.384 3.621 20 0 EHADRM Cc1ccc(CNC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1 ZINC000830317094 603389370 /nfs/dbraw/zinc/38/93/70/603389370.db2.gz LYUVVSSJKWYSQX-CYBMUJFWSA-N -1 0 327.384 3.645 20 0 EHADRM CCCN(C(=O)C[C@H](C)NC(=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000826856969 603394033 /nfs/dbraw/zinc/39/40/33/603394033.db2.gz HMZBMVCKKHPVFL-STQMWFEESA-N -1 0 332.400 3.779 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c2ccccc2)s1 ZINC000830250771 603394630 /nfs/dbraw/zinc/39/46/30/603394630.db2.gz KDKJOIPHBWFFPQ-HEHGZKQESA-N -1 0 346.452 3.879 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N(Cc2cccc(O)c2)CC2CC2)c1 ZINC000740027012 603395209 /nfs/dbraw/zinc/39/52/09/603395209.db2.gz KBUIKASLSBRQAI-UHFFFAOYSA-N -1 0 340.379 3.535 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(CNC(=O)[O-])o2)cc1C ZINC000830283798 603410826 /nfs/dbraw/zinc/41/08/26/603410826.db2.gz YHPALKHXSNNQCV-INIZCTEOSA-N -1 0 342.395 3.641 20 0 EHADRM CCOc1cccc([C@H](C)NC(=O)c2ccc(C)c(NC(=O)[O-])c2)c1 ZINC000827447686 603428511 /nfs/dbraw/zinc/42/85/11/603428511.db2.gz AZWUIHROOQZUDU-ZDUSSCGKSA-N -1 0 342.395 3.975 20 0 EHADRM Cc1cc(CNC(=O)[O-])ccc1N(C(=O)CCC(C)(F)F)C1CC1 ZINC000740078032 603429490 /nfs/dbraw/zinc/42/94/90/603429490.db2.gz WXGJMYGDCXQXJV-UHFFFAOYSA-N -1 0 340.370 3.693 20 0 EHADRM C[C@@H](C(=O)Nc1cccc2cnccc21)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823722308 603448313 /nfs/dbraw/zinc/44/83/13/603448313.db2.gz DPKBDESCVMYGFC-ACJLOTCBSA-N -1 0 349.390 3.818 20 0 EHADRM Cc1ccc(C)c(NC(=O)N2CCC(N(CC3CC3)C(=O)[O-])CC2)c1 ZINC000830274117 603451410 /nfs/dbraw/zinc/45/14/10/603451410.db2.gz FWGJZBDKAFMCNJ-UHFFFAOYSA-N -1 0 345.443 3.690 20 0 EHADRM Cc1c(F)cccc1NC(=O)N1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000829871759 603456675 /nfs/dbraw/zinc/45/66/75/603456675.db2.gz KIGNWLGJKILXBR-UHFFFAOYSA-N -1 0 349.406 3.520 20 0 EHADRM Cc1ccc(N(C(=O)CC2(NC(=O)[O-])CCC2)C2CCCCC2)nc1 ZINC000830333103 603458598 /nfs/dbraw/zinc/45/85/98/603458598.db2.gz MGGQEGJZNBTWND-UHFFFAOYSA-N -1 0 345.443 3.636 20 0 EHADRM CSc1ccccc1NC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000738213257 603460873 /nfs/dbraw/zinc/46/08/73/603460873.db2.gz AHQICZPQFMOSKN-UHFFFAOYSA-N -1 0 345.424 3.863 20 0 EHADRM CCc1ccccc1NC(=S)NCCc1ccc(NC(=O)[O-])cc1 ZINC000737275194 603461177 /nfs/dbraw/zinc/46/11/77/603461177.db2.gz VZUXCTBOQPCTLY-UHFFFAOYSA-N -1 0 343.452 3.868 20 0 EHADRM Cc1ccc(F)c(NC(=O)NCCc2ccc(NC(=O)[O-])cc2)c1 ZINC000738604622 603462626 /nfs/dbraw/zinc/46/26/26/603462626.db2.gz WVGIMTHJQWXPTC-UHFFFAOYSA-N -1 0 331.347 3.588 20 0 EHADRM Cc1oc(-c2ccccc2)nc1C(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000830935941 603480643 /nfs/dbraw/zinc/48/06/43/603480643.db2.gz GGVHVLFGWMLNID-UHFFFAOYSA-N -1 0 338.319 3.959 20 0 EHADRM Cc1nc(-c2c[nH]c(C(=O)Oc3cccc(NC(=O)[O-])c3)c2)cs1 ZINC000830676794 603483078 /nfs/dbraw/zinc/48/30/78/603483078.db2.gz ACPYQZSKQOVPTG-UHFFFAOYSA-N -1 0 343.364 3.756 20 0 EHADRM C[C@@H](NC(=O)[O-])C1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000825286862 603487716 /nfs/dbraw/zinc/48/77/16/603487716.db2.gz GDARFZRAYJTHKK-SECBINFHSA-N -1 0 345.226 3.502 20 0 EHADRM CCCCOc1ccc(NC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)c(C)c1 ZINC000826842073 603508318 /nfs/dbraw/zinc/50/83/18/603508318.db2.gz IEZJKWTUHSMVNL-ZIAGYGMSSA-N -1 0 334.416 3.549 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N(C)[C@H](C)C(C)C ZINC000829167531 603530908 /nfs/dbraw/zinc/53/09/08/603530908.db2.gz MXOHXSVFQKTZDU-SECBINFHSA-N -1 0 328.796 3.555 20 0 EHADRM COc1cc(NC(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)ccc1NC(=O)[O-] ZINC000829159214 603582989 /nfs/dbraw/zinc/58/29/89/603582989.db2.gz PHDLVRGCJYUICF-XUJVJEKNSA-N -1 0 347.415 3.970 20 0 EHADRM COc1cc(NC(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)ccc1NC(=O)[O-] ZINC000829159210 603583579 /nfs/dbraw/zinc/58/35/79/603583579.db2.gz PHDLVRGCJYUICF-LALPHHSUSA-N -1 0 347.415 3.970 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000825860452 603587269 /nfs/dbraw/zinc/58/72/69/603587269.db2.gz JVRLAQXVGUBDDQ-CPUCHLNUSA-N -1 0 345.443 3.981 20 0 EHADRM Cc1nc(C)c(C(=O)Nc2cc(C(F)(F)F)ccc2NC(=O)[O-])o1 ZINC000830715796 603667907 /nfs/dbraw/zinc/66/79/07/603667907.db2.gz JKMHRIWGFHVNQC-UHFFFAOYSA-N -1 0 343.261 3.652 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])ccc1F ZINC000829981236 603717333 /nfs/dbraw/zinc/71/73/33/603717333.db2.gz WFJKXGINZPJRAL-WPXLMEDKSA-N -1 0 348.418 3.622 20 0 EHADRM O=C([O-])N1CCC[C@@H]1CC(=O)Nc1ccccc1CCC(F)(F)F ZINC000831345505 603728592 /nfs/dbraw/zinc/72/85/92/603728592.db2.gz HKNGZQAUCYUTRX-GFCCVEGCSA-N -1 0 344.333 3.653 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(NC(=O)[O-])cc1)C(=O)c1cccc(F)c1 ZINC000824696155 603755550 /nfs/dbraw/zinc/75/55/50/603755550.db2.gz QVMLKRYQMSJFFB-NSHDSACASA-N -1 0 344.342 3.763 20 0 EHADRM C[C@@H](CN(C)C(=O)[O-])c1noc(C2(c3cccc(Cl)c3)CC2)n1 ZINC000824901115 603769369 /nfs/dbraw/zinc/76/93/69/603769369.db2.gz DZMGLEFRVLOWLX-JTQLQIEISA-N -1 0 335.791 3.516 20 0 EHADRM CC(C)(c1nc(C2(NC(=O)[O-])CCCC2)no1)c1cccc(F)c1 ZINC000824038821 603769511 /nfs/dbraw/zinc/76/95/11/603769511.db2.gz NGCZTDWRGTUEEZ-UHFFFAOYSA-N -1 0 333.363 3.572 20 0 EHADRM CC(=O)Nc1ccc(NCc2cccc3c2N(C(=O)[O-])CC3)cc1C ZINC000823611649 603851829 /nfs/dbraw/zinc/85/18/29/603851829.db2.gz RYYHAZNKQGIMTQ-UHFFFAOYSA-N -1 0 339.395 3.606 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)c1nc(C2(NC(=O)[O-])CCC2)no1 ZINC000826631308 603880040 /nfs/dbraw/zinc/88/00/40/603880040.db2.gz HTOCANWRODPRIK-ZDUSSCGKSA-N -1 0 331.372 3.555 20 0 EHADRM COc1ccc(N(C)C(=O)c2ccc(NC(=O)[O-])cc2)cc1Cl ZINC000829424857 603882983 /nfs/dbraw/zinc/88/29/83/603882983.db2.gz UJOUYEBEEMGRDN-UHFFFAOYSA-N -1 0 334.759 3.715 20 0 EHADRM C[C@]1(C(=O)Nc2ccc(CCC(F)(F)F)cc2)CCN(C(=O)[O-])C1 ZINC000825678175 603886385 /nfs/dbraw/zinc/88/63/85/603886385.db2.gz ORSXHUIHOKLIRG-HNNXBMFYSA-N -1 0 344.333 3.510 20 0 EHADRM Cc1cccc(C)c1NC(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000830489360 603905532 /nfs/dbraw/zinc/90/55/32/603905532.db2.gz VIBMQVLFBZWSTC-YOEHRIQHSA-N -1 0 326.396 3.887 20 0 EHADRM CCc1noc(C)c1COC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000827670720 603925818 /nfs/dbraw/zinc/92/58/18/603925818.db2.gz VAADOZKDDOCLBU-UHFFFAOYSA-N -1 0 338.747 3.646 20 0 EHADRM O=C([O-])N1CCC[C@@H](C(=O)Nc2cccc(CCC(F)(F)F)c2)C1 ZINC000831785632 603928820 /nfs/dbraw/zinc/92/88/20/603928820.db2.gz SITUDEIQXMVHHN-GFCCVEGCSA-N -1 0 344.333 3.510 20 0 EHADRM C[C@@H]1CN(C(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])[C@@H]1c1ccccc1 ZINC000825976686 603935051 /nfs/dbraw/zinc/93/50/51/603935051.db2.gz XHPFHIZLKFICII-UCVICXEDSA-N -1 0 342.439 3.517 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)c2cncc(-c3ccccc3)c2)c1 ZINC000832730226 603943295 /nfs/dbraw/zinc/94/32/95/603943295.db2.gz OLOYXVBDXRILLB-UHFFFAOYSA-N -1 0 347.374 3.769 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)c1ccc(C(F)F)cc1 ZINC000831797602 603951941 /nfs/dbraw/zinc/95/19/41/603951941.db2.gz MSQXMGMEGLOCFT-UHFFFAOYSA-N -1 0 332.306 3.917 20 0 EHADRM CC(C)(NC(=O)Nc1cccc2c1CCN2C(=O)[O-])c1cccs1 ZINC000824020438 603986143 /nfs/dbraw/zinc/98/61/43/603986143.db2.gz NJVBXKMYXOALPI-UHFFFAOYSA-N -1 0 345.424 3.845 20 0 EHADRM CCC[C@H]1CCCN(C(=O)Nc2cccc3c2CCN3C(=O)[O-])C1 ZINC000826776039 603995566 /nfs/dbraw/zinc/99/55/66/603995566.db2.gz WBCGUAYMUSEJNM-ZDUSSCGKSA-N -1 0 331.416 3.771 20 0 EHADRM CN(C(=O)Nc1cc(Cl)cc(Cl)c1)C1CCN(C(=O)[O-])CC1 ZINC000827807022 604006830 /nfs/dbraw/zinc/00/68/30/604006830.db2.gz RPZILNQHEVCBKW-UHFFFAOYSA-N -1 0 346.214 3.600 20 0 EHADRM CCCN(C(=O)c1ccc(NC(=O)[O-])cc1Cl)c1cccnc1 ZINC000826884340 604034947 /nfs/dbraw/zinc/03/49/47/604034947.db2.gz NKNDLMIBLSAAEZ-UHFFFAOYSA-N -1 0 333.775 3.882 20 0 EHADRM CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccccc1NC(=O)[O-] ZINC000826633244 604049863 /nfs/dbraw/zinc/04/98/63/604049863.db2.gz VDRUSJYXDCXVEP-CQSZACIVSA-N -1 0 332.331 3.712 20 0 EHADRM CN(C[C@@H]1CCCN1Cc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000828230518 604108660 /nfs/dbraw/zinc/10/86/60/604108660.db2.gz QNFQLZLLDGOHCX-AWEZNQCLSA-N -1 0 349.818 3.569 20 0 EHADRM CC(C)c1ccccc1NC(=O)N(C)CC[C@@H](NC(=O)[O-])C(C)C ZINC000824476472 604118544 /nfs/dbraw/zinc/11/85/44/604118544.db2.gz LCXUNBBNEAWHJS-OAHLLOKOSA-N -1 0 335.448 3.956 20 0 EHADRM CCS[C@@H]1CCC[C@H](NC(=O)Nc2ccc(NC(=O)[O-])cc2)C1 ZINC000827495816 604125091 /nfs/dbraw/zinc/12/50/91/604125091.db2.gz NDRZGSLZPSEJNB-UONOGXRCSA-N -1 0 337.445 3.962 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N[C@@H]2CCCc3[nH]ccc32)cc1 ZINC000825427006 604147188 /nfs/dbraw/zinc/14/71/88/604147188.db2.gz NLDOUKZECXNIGK-BDJLRTHQSA-N -1 0 342.399 3.542 20 0 EHADRM CCN(Cc1ccccc1NC(=O)Cc1ccc(F)cc1F)C(=O)[O-] ZINC000827182252 604170619 /nfs/dbraw/zinc/17/06/19/604170619.db2.gz IKTKLUAADCVWKU-UHFFFAOYSA-N -1 0 348.349 3.646 20 0 EHADRM COc1ccc(NCc2nc3ccccc3nc2C)cc1NC(=O)[O-] ZINC000829479191 604215050 /nfs/dbraw/zinc/21/50/50/604215050.db2.gz DYEMPEWIXMLXPX-UHFFFAOYSA-N -1 0 338.367 3.649 20 0 EHADRM C[C@H](OC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1)c1ccccc1C(F)(F)F ZINC000825550800 604239572 /nfs/dbraw/zinc/23/95/72/604239572.db2.gz DBNIKPJLMCHSTI-DCAQKATOSA-N -1 0 345.317 3.746 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1nc2c(cc(C)cc2C)s1 ZINC000832873756 604269507 /nfs/dbraw/zinc/26/95/07/604269507.db2.gz AIXVQVPZOXZWMI-UHFFFAOYSA-N -1 0 343.408 3.809 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2ccco2)C2CCCC2)cc1F ZINC000833310757 604292364 /nfs/dbraw/zinc/29/23/64/604292364.db2.gz SDQISHSAMRBRJS-UHFFFAOYSA-N -1 0 331.343 3.702 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@H]1CCC(C)(C)c2ccccc21 ZINC000832844781 604298308 /nfs/dbraw/zinc/29/83/08/604298308.db2.gz KNUGOVDJJAMPIX-HNNXBMFYSA-N -1 0 340.423 3.872 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(F)cc2C(F)(F)F)c(F)c1 ZINC000479444781 604307533 /nfs/dbraw/zinc/30/75/33/604307533.db2.gz YQVLPTSJJKZINN-UHFFFAOYSA-N -1 0 345.223 3.934 20 0 EHADRM CC[C@H]1c2ccccc2CCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000829170156 604317162 /nfs/dbraw/zinc/31/71/62/604317162.db2.gz LQUFUUZCGJWNQR-KRWDZBQOSA-N -1 0 327.355 3.674 20 0 EHADRM O=C([O-])c1cncc(NC(=O)N2CCCCC[C@H]2c2ccco2)c1 ZINC000833341459 604323564 /nfs/dbraw/zinc/32/35/64/604323564.db2.gz RWTADBOWYUTJGD-AWEZNQCLSA-N -1 0 329.356 3.522 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2CC(F)(F)F)cc1F ZINC000833160464 604326352 /nfs/dbraw/zinc/32/63/52/604326352.db2.gz HFJCBXFJZRUOQU-UHFFFAOYSA-N -1 0 341.260 3.881 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@@H](C)c1c(F)cccc1Cl ZINC000832844875 604332068 /nfs/dbraw/zinc/33/20/68/604332068.db2.gz PDCRDXWTXGCWCT-VIFPVBQESA-N -1 0 338.766 3.613 20 0 EHADRM CC(C)[C@H]1c2ccccc2CCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000826746922 604341224 /nfs/dbraw/zinc/34/12/24/604341224.db2.gz CMRYTBHLJHQZME-SFHVURJKSA-N -1 0 341.382 3.920 20 0 EHADRM Cc1ccc(NC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])c(C)n1 ZINC000832948104 604354189 /nfs/dbraw/zinc/35/41/89/604354189.db2.gz ZKIOUUOTRZVJAM-MRXNPFEDSA-N -1 0 341.411 3.672 20 0 EHADRM CC(C)CCn1ccc(NC(=O)Nc2cccc(NC(=O)[O-])c2)n1 ZINC000826865557 604367592 /nfs/dbraw/zinc/36/75/92/604367592.db2.gz QVGNDELXVJPSLU-UHFFFAOYSA-N -1 0 331.376 3.663 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1F ZINC000833160248 604374245 /nfs/dbraw/zinc/37/42/45/604374245.db2.gz CQHPOQNXRAMFGN-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(Br)cc2C(=O)[O-])oc1C ZINC000832865194 604375428 /nfs/dbraw/zinc/37/54/28/604375428.db2.gz SIELJYIIDJGBAH-UHFFFAOYSA-N -1 0 338.157 3.609 20 0 EHADRM COc1cccc2c1CC[C@@H]2NC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000829581546 604380136 /nfs/dbraw/zinc/38/01/36/604380136.db2.gz TUOOOBAVJSUDTE-HNNXBMFYSA-N -1 0 340.379 3.511 20 0 EHADRM Cc1cc([C@@H](C)N(C)CC(=O)Nc2c(C)cccc2C)oc1C(=O)[O-] ZINC000832871660 604382216 /nfs/dbraw/zinc/38/22/16/604382216.db2.gz VFTMEOQIEFLOJG-CQSZACIVSA-N -1 0 344.411 3.535 20 0 EHADRM Cc1ccc(F)cc1C(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC000832933827 604394556 /nfs/dbraw/zinc/39/45/56/604394556.db2.gz ARQUOACINBHQBZ-UHFFFAOYSA-N -1 0 329.371 3.641 20 0 EHADRM CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1csc(C2CCCCC2)n1 ZINC000827022640 604401160 /nfs/dbraw/zinc/40/11/60/604401160.db2.gz XRUHQZHAWIRRLC-HNNXBMFYSA-N -1 0 340.489 3.501 20 0 EHADRM O=C([O-])c1cccc(C(=O)O[C@H](Cc2ccccc2)c2cccnc2)c1 ZINC000833328833 604414300 /nfs/dbraw/zinc/41/43/00/604414300.db2.gz UCHOPNQUTZHDPE-LJQANCHMSA-N -1 0 347.370 3.921 20 0 EHADRM O=C([O-])c1cccc(C(=O)O[C@@H](Cc2ccccc2)c2cccnc2)c1 ZINC000833328832 604414393 /nfs/dbraw/zinc/41/43/93/604414393.db2.gz UCHOPNQUTZHDPE-IBGZPJMESA-N -1 0 347.370 3.921 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)O[C@@H]1CCc2sc(Cl)cc21 ZINC000826808073 604414769 /nfs/dbraw/zinc/41/47/69/604414769.db2.gz RMEDLBPSCLVSQS-VHSXEESVSA-N -1 0 331.821 3.614 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)O[C@H]1CCc2sc(Cl)cc21 ZINC000826808075 604414832 /nfs/dbraw/zinc/41/48/32/604414832.db2.gz RMEDLBPSCLVSQS-ZJUUUORDSA-N -1 0 331.821 3.614 20 0 EHADRM CCc1cnc(CNc2ccc(NC(=O)[O-])cc2C(F)(F)F)o1 ZINC000827615906 604441055 /nfs/dbraw/zinc/44/10/55/604441055.db2.gz DSFNROXCXASYHR-UHFFFAOYSA-N -1 0 329.278 3.958 20 0 EHADRM CCCOc1cccc(CC(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC000829541640 604445592 /nfs/dbraw/zinc/44/55/92/604445592.db2.gz ROUVCXVPLYNUQP-GFCCVEGCSA-N -1 0 332.352 3.614 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)CCCc2ccccc2)cc1 ZINC000825378191 604452513 /nfs/dbraw/zinc/45/25/13/604452513.db2.gz SMMSSDMJXSWWMG-HNNXBMFYSA-N -1 0 340.423 3.654 20 0 EHADRM Cc1cc(F)c(C(=O)NCc2ccc([C@H](C)NC(=O)[O-])cc2)cc1F ZINC000830054470 604455684 /nfs/dbraw/zinc/45/56/84/604455684.db2.gz BXZJERKNVBGOSQ-NSHDSACASA-N -1 0 348.349 3.532 20 0 EHADRM CC(C)(CCC(=O)NCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000190894697 604462825 /nfs/dbraw/zinc/46/28/25/604462825.db2.gz LARALSCRWAJHCQ-UHFFFAOYSA-N -1 0 325.408 3.759 20 0 EHADRM Cc1cccc(C(=O)N2CCCN(C(=O)[O-])c3ccccc32)c1F ZINC000830465052 604471636 /nfs/dbraw/zinc/47/16/36/604471636.db2.gz HKXKUBILVNHFOO-UHFFFAOYSA-N -1 0 328.343 3.669 20 0 EHADRM CCC1=C(C(=O)[O-])[C@H](c2cscc2Cl)NC(=O)N1CC1CC1 ZINC000829070119 604473679 /nfs/dbraw/zinc/47/36/79/604473679.db2.gz YQXUOVISDDVUGN-ZDUSSCGKSA-N -1 0 340.832 3.627 20 0 EHADRM C[C@H](Cc1ccccc1Cl)NC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000827592881 604487591 /nfs/dbraw/zinc/48/75/91/604487591.db2.gz VLRLSAXCBXBOPR-SECBINFHSA-N -1 0 338.816 3.852 20 0 EHADRM Cc1cnn(-c2ccc(C(=O)[O-])cc2NC(=O)c2cscc2C)c1 ZINC000833754471 604487955 /nfs/dbraw/zinc/48/79/55/604487955.db2.gz QGNHFGHMJMEMDW-UHFFFAOYSA-N -1 0 341.392 3.501 20 0 EHADRM CC1(c2ccccc2)CC(NC(=O)Nc2cc(C(=O)[O-])cs2)C1 ZINC000828121459 604492416 /nfs/dbraw/zinc/49/24/16/604492416.db2.gz JAHJBEYTSIPRKW-UHFFFAOYSA-N -1 0 330.409 3.688 20 0 EHADRM Cc1sc(NC(=O)N2CCc3cccc(F)c3C2)c(C(=O)[O-])c1C ZINC000833758473 604504866 /nfs/dbraw/zinc/50/48/66/604504866.db2.gz YYWXDJYDJBLMFR-UHFFFAOYSA-N -1 0 348.399 3.792 20 0 EHADRM Cc1ccccc1OCCCN(C)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000832979184 604512615 /nfs/dbraw/zinc/51/26/15/604512615.db2.gz JNJPGKLIBZHISG-UHFFFAOYSA-N -1 0 348.424 3.688 20 0 EHADRM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(C)c(NC(=O)[O-])c2)C12CCC2 ZINC000827381321 604518645 /nfs/dbraw/zinc/51/86/45/604518645.db2.gz RGTYUNLXDQMFII-JKSUJKDBSA-N -1 0 346.427 3.505 20 0 EHADRM CC[C@@H]1CCCN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000829125136 604522621 /nfs/dbraw/zinc/52/26/21/604522621.db2.gz GCUFRXJDYCCXBT-ZBFHGGJFSA-N -1 0 332.444 3.670 20 0 EHADRM CC(C)[C@@H]1CCCN1C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000826735739 604524589 /nfs/dbraw/zinc/52/45/89/604524589.db2.gz IFYBFOANXMEDFZ-JKSUJKDBSA-N -1 0 332.444 3.669 20 0 EHADRM O=C([O-])c1cc(CN2CCC[C@H]2c2cccc(Br)c2)c[nH]1 ZINC000833778844 604542620 /nfs/dbraw/zinc/54/26/20/604542620.db2.gz FGINSYFLYKDAAF-HNNXBMFYSA-N -1 0 349.228 3.813 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000325842099 604542877 /nfs/dbraw/zinc/54/28/77/604542877.db2.gz XYJDNHXGDSMPPO-KBAYOESNSA-N -1 0 329.440 3.950 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)cn1 ZINC000827117663 604546145 /nfs/dbraw/zinc/54/61/45/604546145.db2.gz GQQWEIGMEHELAM-MRXNPFEDSA-N -1 0 346.814 3.804 20 0 EHADRM CC(C)Cn1ncc(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)c1C1CC1 ZINC000833492407 604555043 /nfs/dbraw/zinc/55/50/43/604555043.db2.gz AZQYMXKYJQXGFY-NSHDSACASA-N -1 0 346.383 3.626 20 0 EHADRM C[C@@H](NC(=O)NCCc1cccc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC000391568874 604557152 /nfs/dbraw/zinc/55/71/52/604557152.db2.gz KMCWBIMUDJVBOX-GFCCVEGCSA-N -1 0 346.814 3.641 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2coc(Br)c2)oc1C(=O)[O-] ZINC000832873083 604563100 /nfs/dbraw/zinc/56/31/00/604563100.db2.gz FXMUEMZNYAEMLQ-SSDOTTSWSA-N -1 0 343.129 3.560 20 0 EHADRM C/C(=C/c1ccccc1Cl)C(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC000761864831 604565179 /nfs/dbraw/zinc/56/51/79/604565179.db2.gz IKAHPEZCUMNMGY-SNGWPZLWSA-N -1 0 347.773 3.825 20 0 EHADRM C[C@H](C(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000262935969 604571884 /nfs/dbraw/zinc/57/18/84/604571884.db2.gz LRSRSGAITBZRRD-GXSJLCMTSA-N -1 0 330.211 3.563 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000262897847 604571885 /nfs/dbraw/zinc/57/18/85/604571885.db2.gz IKUBYNQKDJVDRP-BXUZGUMPSA-N -1 0 343.345 3.665 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2coc(-c3ccccc3)n2)oc1C(=O)[O-] ZINC000832874712 604589868 /nfs/dbraw/zinc/58/98/68/604589868.db2.gz PKWLMZUBHOLQMG-LLVKDONJSA-N -1 0 341.319 3.859 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)NCC2(Cc3ccccc3)CC2)c1 ZINC000833289678 604621696 /nfs/dbraw/zinc/62/16/96/604621696.db2.gz SVKLCIWXQFDJPE-UHFFFAOYSA-N -1 0 339.395 3.921 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000833213514 604631351 /nfs/dbraw/zinc/63/13/51/604631351.db2.gz IKSRCEZJEYKCSE-OAHLLOKOSA-N -1 0 346.427 3.869 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F ZINC000776616271 604643405 /nfs/dbraw/zinc/64/34/05/604643405.db2.gz GJKVEFWYFFQMCW-GHXNOFRVSA-N -1 0 349.736 3.607 20 0 EHADRM CC[C@H](NC(=O)Nc1cccc(C(=O)[O-])c1C)c1c(C)noc1C ZINC000833642475 604657559 /nfs/dbraw/zinc/65/75/59/604657559.db2.gz BBPIMILBERBYGX-ZDUSSCGKSA-N -1 0 331.372 3.571 20 0 EHADRM Cc1cc(CNc2cccc(OCCF)c2)cc(C)c1OCC(=O)[O-] ZINC000832886779 604663167 /nfs/dbraw/zinc/66/31/67/604663167.db2.gz XVXYQQUVINDERZ-UHFFFAOYSA-N -1 0 347.386 3.727 20 0 EHADRM CCc1cc(C(=O)N(CCC(=O)[O-])Cc2ccccc2)oc1CC ZINC000685019466 604663818 /nfs/dbraw/zinc/66/38/18/604663818.db2.gz VKDBONJAFKJALI-UHFFFAOYSA-N -1 0 329.396 3.522 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000833211067 604677652 /nfs/dbraw/zinc/67/76/52/604677652.db2.gz ROQOPZRNUGDBKU-SJLPKXTDSA-N -1 0 330.428 3.567 20 0 EHADRM Cc1cccc([C@H](NC(=O)N2CCC[C@H]2CC(=O)[O-])C(C)(C)C)c1 ZINC000832964596 604688760 /nfs/dbraw/zinc/68/87/60/604688760.db2.gz JXJCZEAQIGTBST-RDJZCZTQSA-N -1 0 332.444 3.731 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000262242887 604699617 /nfs/dbraw/zinc/69/96/17/604699617.db2.gz UNUIIOKNNNVFCZ-UHFFFAOYSA-N -1 0 327.380 3.743 20 0 EHADRM CC(C)Oc1ccccc1CC(=O)OCc1ccc(C(=O)[O-])cc1F ZINC000833507356 604701155 /nfs/dbraw/zinc/70/11/55/604701155.db2.gz HFSLQNNMOOJLEG-UHFFFAOYSA-N -1 0 346.354 3.597 20 0 EHADRM Cc1cc([C@@H](C)Sc2nncn2-c2ccccc2F)oc1C(=O)[O-] ZINC000832872823 604708748 /nfs/dbraw/zinc/70/87/48/604708748.db2.gz AUXPGZDTUAMXQH-SNVBAGLBSA-N -1 0 347.371 3.859 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N(C)C1(C(=O)[O-])CCCC1 ZINC000391797190 604709859 /nfs/dbraw/zinc/70/98/59/604709859.db2.gz PUPZWKSRYZMOJT-UHFFFAOYSA-N -1 0 335.787 3.864 20 0 EHADRM CC(C)Oc1ccc(NC(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC000262191779 604711715 /nfs/dbraw/zinc/71/17/15/604711715.db2.gz NLJILQMTKKMXAD-UHFFFAOYSA-N -1 0 327.380 3.743 20 0 EHADRM Cc1cc([C@@H](C)Sc2ccc(S(C)(=O)=O)cc2)oc1C(=O)[O-] ZINC000832874896 604718542 /nfs/dbraw/zinc/71/85/42/604718542.db2.gz QKHWYKNFRRBZFO-SNVBAGLBSA-N -1 0 340.422 3.543 20 0 EHADRM COc1c(Cl)cccc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000539676680 604720505 /nfs/dbraw/zinc/72/05/05/604720505.db2.gz HELIEXSJJLPXGX-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)Nc2nc(CCC(=O)[O-])cs2)cc1 ZINC000828764149 604730088 /nfs/dbraw/zinc/73/00/88/604730088.db2.gz GUCCLZFXLGBVPS-LLVKDONJSA-N -1 0 348.424 3.590 20 0 EHADRM Cc1ccc(C)c(OCCCCC(=O)N(C)C2(C(=O)[O-])CCCC2)c1 ZINC000832926677 604730004 /nfs/dbraw/zinc/73/00/04/604730004.db2.gz ZHOXECSHKLWDOC-UHFFFAOYSA-N -1 0 347.455 3.708 20 0 EHADRM Cc1cc(C)c(NC(=O)C[C@@H](C)C2CCN(C(=O)[O-])CC2)c(C)c1 ZINC000829992031 604734430 /nfs/dbraw/zinc/73/44/30/604734430.db2.gz XYCIFXLSMFFILU-CYBMUJFWSA-N -1 0 332.444 3.967 20 0 EHADRM CC(C)(NC(=O)Cc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000833459576 604737906 /nfs/dbraw/zinc/73/79/06/604737906.db2.gz BAKPBKYJHMPXTD-UHFFFAOYSA-N -1 0 331.799 3.632 20 0 EHADRM CCn1c(S[C@@H](C)c2ccc(C(=O)[O-])o2)nnc1-c1ccccn1 ZINC000830415805 604752916 /nfs/dbraw/zinc/75/29/16/604752916.db2.gz BRSVZZZTOJKLMU-JTQLQIEISA-N -1 0 344.396 3.505 20 0 EHADRM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000262193732 604788349 /nfs/dbraw/zinc/78/83/49/604788349.db2.gz RHYQCLMYNUFQDR-BLVKFPJESA-N -1 0 341.382 3.506 20 0 EHADRM CC(C)[C@H]1c2ccccc2CCN1C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000833474049 604788705 /nfs/dbraw/zinc/78/87/05/604788705.db2.gz UJTUNBONQQIGLO-FQEVSTJZSA-N -1 0 337.419 3.709 20 0 EHADRM C[C@@H]1CC[C@@H](CC(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)C1 ZINC000828221206 604790320 /nfs/dbraw/zinc/79/03/20/604790320.db2.gz JQHHEHWUORWQIV-HUUCEWRRSA-N -1 0 344.455 3.614 20 0 EHADRM CC1(C)CN(C(=O)CCc2ccccc2C(=O)[O-])c2ccccc2O1 ZINC000833559718 604791010 /nfs/dbraw/zinc/79/10/10/604791010.db2.gz FSWQALLBFSANFN-UHFFFAOYSA-N -1 0 339.391 3.522 20 0 EHADRM CC(C)Oc1ccc([C@H](C)NC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000827047755 604811983 /nfs/dbraw/zinc/81/19/83/604811983.db2.gz KPKHTKLJLCTSLG-LBPRGKRZSA-N -1 0 345.370 3.802 20 0 EHADRM CC1(C)CCC[C@H](CC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)C1 ZINC000833561459 604816053 /nfs/dbraw/zinc/81/60/53/604816053.db2.gz PCPRWMALTFTFOJ-CQSZACIVSA-N -1 0 329.440 3.876 20 0 EHADRM CC(C)[C@@H](OC(=O)CCNC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000826721870 604819736 /nfs/dbraw/zinc/81/97/36/604819736.db2.gz CGJWTOLBGWVDMM-CYBMUJFWSA-N -1 0 333.306 3.603 20 0 EHADRM Cc1ccccc1C1CCN(C(=O)c2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000832977015 604821964 /nfs/dbraw/zinc/82/19/64/604821964.db2.gz ABECEPVXSDQAMT-UHFFFAOYSA-N -1 0 341.382 3.852 20 0 EHADRM CC(C)(CNC(=O)c1ccc(C(=O)[O-])c(F)c1)Cc1ccccc1 ZINC000826602099 604822816 /nfs/dbraw/zinc/82/28/16/604822816.db2.gz OOYABJDCJMNJAS-UHFFFAOYSA-N -1 0 329.371 3.523 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(C(=O)[O-])c(F)c2)CC[C@@H]1c1ccccc1 ZINC000828395455 604826332 /nfs/dbraw/zinc/82/63/32/604826332.db2.gz XQAGEQCCSDPKPV-BBRMVZONSA-N -1 0 341.382 3.790 20 0 EHADRM CC(C)c1ncc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])s1 ZINC000827158587 604831810 /nfs/dbraw/zinc/83/18/10/604831810.db2.gz OMKATFLKBRBSKQ-AWEZNQCLSA-N -1 0 346.452 3.848 20 0 EHADRM Cc1cc(F)ccc1C(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000431427727 604856027 /nfs/dbraw/zinc/85/60/27/604856027.db2.gz QLFOPLLJXNPHAV-UHFFFAOYSA-N -1 0 335.762 3.515 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000669434864 604860224 /nfs/dbraw/zinc/86/02/24/604860224.db2.gz LVQURBLKBCVSPU-YOEHRIQHSA-N -1 0 345.439 3.719 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000669434862 604860378 /nfs/dbraw/zinc/86/03/78/604860378.db2.gz LVQURBLKBCVSPU-RHSMWYFYSA-N -1 0 345.439 3.719 20 0 EHADRM CCC(CC)n1ccc(COC(=O)c2ccccc2NC(=O)[O-])n1 ZINC000828869888 604864494 /nfs/dbraw/zinc/86/44/94/604864494.db2.gz GKNWEYYDEKGQPH-UHFFFAOYSA-N -1 0 331.372 3.691 20 0 EHADRM CC(C)c1ccc([C@H]2CCCN2C(=O)c2ccc(C(=O)[O-])cn2)cc1 ZINC000649421501 604864552 /nfs/dbraw/zinc/86/45/52/604864552.db2.gz DFMRYDBPTMNXDS-GOSISDBHSA-N -1 0 338.407 3.881 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)C[C@@H](C)Cc1ccc(Cl)cc1 ZINC000263238527 604870057 /nfs/dbraw/zinc/87/00/57/604870057.db2.gz FKORMCFVYPCWOU-ZDUSSCGKSA-N -1 0 325.836 3.620 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(c2ncnc3sc4c(c32)CCC4)C1 ZINC000649405955 604872704 /nfs/dbraw/zinc/87/27/04/604872704.db2.gz WFJKPGVIZJEKEK-LLVKDONJSA-N -1 0 345.468 3.507 20 0 EHADRM CC(C)(C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1)c1ccc(F)cc1 ZINC000833412114 604877215 /nfs/dbraw/zinc/87/72/15/604877215.db2.gz WQWTWGJWTQXRGQ-UHFFFAOYSA-N -1 0 348.399 3.774 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@H]1CCCc2sccc21)c1ccc(Cl)cc1 ZINC000431814977 604882410 /nfs/dbraw/zinc/88/24/10/604882410.db2.gz QKXRPVIUDJGJNO-DZGCQCFKSA-N -1 0 349.839 3.764 20 0 EHADRM CCCCc1ccc(CC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000327303341 604882733 /nfs/dbraw/zinc/88/27/33/604882733.db2.gz NRLQPDBXFICIJW-IBGZPJMESA-N -1 0 339.435 3.904 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@@H]1CCCc2sccc21)c1ccccc1F ZINC000833351196 604888734 /nfs/dbraw/zinc/88/87/34/604888734.db2.gz OBWYALPDTXAEFZ-IAQYHMDHSA-N -1 0 334.368 3.676 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cc3sccc3s2)C1 ZINC000317542563 604895851 /nfs/dbraw/zinc/89/58/51/604895851.db2.gz BCTWZMFNAFEZDO-JTQLQIEISA-N -1 0 337.466 3.926 20 0 EHADRM CCCCC[C@H](C)NC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000829311826 604916011 /nfs/dbraw/zinc/91/60/11/604916011.db2.gz MLRABLVHDVESDD-NSHDSACASA-N -1 0 342.823 3.894 20 0 EHADRM CCc1ccc2nc(NC(=O)c3ccc(C(=O)[O-])c(F)c3)sc2c1 ZINC000830260009 604921290 /nfs/dbraw/zinc/92/12/90/604921290.db2.gz OBSRCHLNBDNAKR-UHFFFAOYSA-N -1 0 344.367 3.948 20 0 EHADRM CC(C)Oc1ccccc1[C@H](C)NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000827062882 604940006 /nfs/dbraw/zinc/94/00/06/604940006.db2.gz HVKRWGGMRHCISZ-LBPRGKRZSA-N -1 0 345.370 3.802 20 0 EHADRM CC1=C(C(=O)[O-])[C@H](c2c(Cl)oc3ccccc32)NC(=O)N1C1CC1 ZINC000833576231 604944004 /nfs/dbraw/zinc/94/40/04/604944004.db2.gz WJEGXKLTDLYVQV-CQSZACIVSA-N -1 0 346.770 3.674 20 0 EHADRM CCC[C@@H](C)[C@@H]1CCCN1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000829208637 604956698 /nfs/dbraw/zinc/95/66/98/604956698.db2.gz NOLGIKYCICSMTC-CJNGLKHVSA-N -1 0 333.432 3.887 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000833678554 604961060 /nfs/dbraw/zinc/96/10/60/604961060.db2.gz PIKDZOJSNCUKOO-UHFFFAOYSA-N -1 0 339.395 3.562 20 0 EHADRM C[C@@]1(NC(=O)CCCc2c[nH]c3ccccc23)CCCC[C@H]1C(=O)[O-] ZINC000262839510 604965249 /nfs/dbraw/zinc/96/52/49/604965249.db2.gz RYFCUEDAENVFOE-OXJNMPFZSA-N -1 0 342.439 3.640 20 0 EHADRM CCCC[C@@H]1CCC[C@@H]1NC(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000829305102 604966791 /nfs/dbraw/zinc/96/67/91/604966791.db2.gz QKPOJDRNPZAKDN-YPMHNXCESA-N -1 0 339.461 3.641 20 0 EHADRM CCC[C@H](NC(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccccc1 ZINC000829223090 604981904 /nfs/dbraw/zinc/98/19/04/604981904.db2.gz LBPSHFUVTVEGSG-AWEZNQCLSA-N -1 0 347.440 3.823 20 0 EHADRM O=C([O-])[C@@H](Nc1ccc(OCc2ccccc2)cc1)c1cccnc1 ZINC000833169196 604984642 /nfs/dbraw/zinc/98/46/42/604984642.db2.gz IFDMIIGISOIPCC-IBGZPJMESA-N -1 0 334.375 3.898 20 0 EHADRM CC(C)(C)c1ccc(CCCC(=O)N[C@H](CC(F)F)C(=O)[O-])cc1 ZINC000455890693 604990122 /nfs/dbraw/zinc/99/01/22/604990122.db2.gz BTCSHHUTMOJHIY-CQSZACIVSA-N -1 0 341.398 3.531 20 0 EHADRM CCC[C@@H](C)[C@H]1CCCN1C(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC000829209671 604997417 /nfs/dbraw/zinc/99/74/17/604997417.db2.gz VTUZHVCFBGSOOU-CZUORRHYSA-N -1 0 348.443 3.504 20 0 EHADRM Cc1ccc(Oc2ccc(N[C@H](C(=O)[O-])c3cccnc3)cc2)nc1 ZINC000832953155 605002560 /nfs/dbraw/zinc/00/25/60/605002560.db2.gz AJJVSGDKKWGXMZ-SFHVURJKSA-N -1 0 335.363 3.815 20 0 EHADRM CCc1nc(NC(=O)c2csc3c2CCCC3)sc1C(=O)[O-] ZINC000833676120 605007332 /nfs/dbraw/zinc/00/73/32/605007332.db2.gz ZWRHDMQERYJWIF-UHFFFAOYSA-N -1 0 336.438 3.596 20 0 EHADRM CC[C@@H](OC(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000833644539 605016753 /nfs/dbraw/zinc/01/67/53/605016753.db2.gz JIXUCZCVQKPRDS-CYBMUJFWSA-N -1 0 347.194 3.753 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)OCc1cc2ccccc2nc1Cl ZINC000833455569 605031818 /nfs/dbraw/zinc/03/18/18/605031818.db2.gz UWFNLFNHMZIEDQ-UHFFFAOYSA-N -1 0 335.787 3.822 20 0 EHADRM Cc1ccccc1-c1noc([C@H](C)OC(=O)CC(C)(C)CC(=O)[O-])n1 ZINC000833752879 605033368 /nfs/dbraw/zinc/03/33/68/605033368.db2.gz COZFAZMIAPSXFN-LBPRGKRZSA-N -1 0 346.383 3.540 20 0 EHADRM C[C@@H](SC[C@H]1CC(C(=O)[O-])=NO1)c1ccc(OC(F)(F)F)cc1 ZINC000833544144 605041997 /nfs/dbraw/zinc/04/19/97/605041997.db2.gz YNNLEKFKCMEJBN-LDYMZIIASA-N -1 0 349.330 3.609 20 0 EHADRM CC(C)n1cccc1C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833513218 605044809 /nfs/dbraw/zinc/04/48/09/605044809.db2.gz FOGHGOMZYFJCBG-MRXNPFEDSA-N -1 0 328.412 3.651 20 0 EHADRM COc1ccc(/C=C(/C(=O)[O-])c2nc(C(C)(C)C)cs2)cc1O ZINC000833732156 605061708 /nfs/dbraw/zinc/06/17/08/605061708.db2.gz HJLZEXDRVPOPFU-YRNVUSSQSA-N -1 0 333.409 3.780 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N(Cc1ccco1)Cc1cccs1 ZINC000236805215 605065036 /nfs/dbraw/zinc/06/50/36/605065036.db2.gz XIKVMMDKGIUDSM-UHFFFAOYSA-N -1 0 335.425 3.761 20 0 EHADRM CC(C)Cc1ccc(C(=O)COC(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000833491181 605072132 /nfs/dbraw/zinc/07/21/32/605072132.db2.gz KDFPOFXCKNNYKO-UHFFFAOYSA-N -1 0 346.423 3.502 20 0 EHADRM CC(C)[C@@H]1C[C@H](CC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)CCO1 ZINC000833471262 605073751 /nfs/dbraw/zinc/07/37/51/605073751.db2.gz NIBYBZGRZIKGCH-CJNGLKHVSA-N -1 0 334.416 3.581 20 0 EHADRM CC(C)[C@H]1C[C@H](CC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CCO1 ZINC000833469465 605076229 /nfs/dbraw/zinc/07/62/29/605076229.db2.gz AFBWDJIXBXXBOX-IAQYHMDHSA-N -1 0 339.819 3.818 20 0 EHADRM C[C@H](Oc1ccc(CNC2(c3nccs3)CCCC2)cc1)C(=O)[O-] ZINC000833541307 605094304 /nfs/dbraw/zinc/09/43/04/605094304.db2.gz PRASJACZJKWDLR-ZDUSSCGKSA-N -1 0 346.452 3.554 20 0 EHADRM CCC(CC)(CNC(=O)N1CCC[C@H]1c1cccc(F)c1)C(=O)[O-] ZINC000424413024 605097832 /nfs/dbraw/zinc/09/78/32/605097832.db2.gz NZBYIRFNIZHKEZ-HNNXBMFYSA-N -1 0 336.407 3.563 20 0 EHADRM CC(C)(C)c1ccc(C(C)(C)NC(=O)c2ccnc(C(=O)[O-])c2)cc1 ZINC000833449874 605104986 /nfs/dbraw/zinc/10/49/86/605104986.db2.gz CZXIPRCNIYKWDZ-UHFFFAOYSA-N -1 0 340.423 3.742 20 0 EHADRM C[C@H]1CC[C@@H](NC(=O)c2ccc(OCC(=O)[O-])cc2)c2ccccc21 ZINC000659759041 605108611 /nfs/dbraw/zinc/10/86/11/605108611.db2.gz NEVAQZRDXDDBKI-SCLBCKFNSA-N -1 0 339.391 3.518 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NC1CCC(c2ccc(F)cc2)CC1 ZINC000668314288 605112005 /nfs/dbraw/zinc/11/20/05/605112005.db2.gz LVAASNLGOSFXMR-UHFFFAOYSA-N -1 0 335.419 3.859 20 0 EHADRM CC1(C)CCCN1C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000132552020 605126012 /nfs/dbraw/zinc/12/60/12/605126012.db2.gz VLQCTZKMXABZDW-UHFFFAOYSA-N -1 0 341.205 3.554 20 0 EHADRM COc1cccc(CN(C)C(=O)Nc2cc(Cl)ccc2C(=O)[O-])c1 ZINC000392123308 605128742 /nfs/dbraw/zinc/12/87/42/605128742.db2.gz XXOCGDZCZYAYKH-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM CC(C)N(Cc1ccccc1F)C(=O)Nc1ccccc1C(=O)[O-] ZINC000833499174 605129396 /nfs/dbraw/zinc/12/93/96/605129396.db2.gz STSHCMGDYIEPKR-UHFFFAOYSA-N -1 0 330.359 3.966 20 0 EHADRM CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2ccc(C)cc2C(=O)[O-])C1 ZINC000833668561 605134306 /nfs/dbraw/zinc/13/43/06/605134306.db2.gz SRBBYSVIZYSHMQ-OLZOCXBDSA-N -1 0 336.457 3.831 20 0 EHADRM CC(C)(C)C[C@H](Sc1nnc2sc3ccccc3n12)C(=O)[O-] ZINC000833429869 605147899 /nfs/dbraw/zinc/14/78/99/605147899.db2.gz ZLGFSUVBFLWZCS-NSHDSACASA-N -1 0 335.454 3.926 20 0 EHADRM CC(C)(C)C[C@H](Sc1n[nH]c(C=Cc2ccccc2)n1)C(=O)[O-] ZINC000833429851 605150259 /nfs/dbraw/zinc/15/02/59/605150259.db2.gz PPHWRLRZAZYRER-XPSMFNQNSA-N -1 0 331.441 3.957 20 0 EHADRM Cc1ccc(F)c(C(=O)Oc2ccc(C(=O)[O-])cc2Cl)c1F ZINC000833749885 605150597 /nfs/dbraw/zinc/15/05/97/605150597.db2.gz YMWWQIWACZHWMN-UHFFFAOYSA-N -1 0 326.682 3.844 20 0 EHADRM C[C@H](NC(=O)Nc1cc(C(=O)[O-])ccc1F)c1cccc(F)c1F ZINC000833522279 605153775 /nfs/dbraw/zinc/15/37/75/605153775.db2.gz ZYORHDRPKKKCKJ-QMMMGPOBSA-N -1 0 338.285 3.685 20 0 EHADRM Cc1nc(C2CCCCC2)sc1C(=O)NC1(CC(=O)[O-])CCC1 ZINC000833755527 605154326 /nfs/dbraw/zinc/15/43/26/605154326.db2.gz QHIPIKKDZZLVEJ-UHFFFAOYSA-N -1 0 336.457 3.626 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)OCc2cccc(C(=O)[O-])c2)c1C(C)C ZINC000833401019 605159325 /nfs/dbraw/zinc/15/93/25/605159325.db2.gz QMDOWSJIEMKEGK-UHFFFAOYSA-N -1 0 343.379 3.704 20 0 EHADRM CC[C@@](NC(=O)c1ccc(F)c(SC)c1)(C(=O)[O-])c1ccccc1 ZINC000833643059 605162048 /nfs/dbraw/zinc/16/20/48/605162048.db2.gz MCRANPMPZOSTRF-SFHVURJKSA-N -1 0 347.411 3.668 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2CC(=O)[O-])c1C(C)C ZINC000431675070 605162952 /nfs/dbraw/zinc/16/29/52/605162952.db2.gz HJRKEDNTLQIPAI-UHFFFAOYSA-N -1 0 342.395 3.529 20 0 EHADRM CCc1nc(NC(=O)/C=C\c2ccc3[nH]ccc3c2)sc1C(=O)[O-] ZINC000833676709 605174434 /nfs/dbraw/zinc/17/44/34/605174434.db2.gz TYWFUYSHHOGKFH-XQRVVYSFSA-N -1 0 341.392 3.537 20 0 EHADRM CC(C)(C)[C@H](NC(=O)Nc1cncc(C(=O)[O-])c1)c1ccccc1 ZINC000833424040 605176540 /nfs/dbraw/zinc/17/65/40/605176540.db2.gz QRLFEAOXNALWKX-OAHLLOKOSA-N -1 0 327.384 3.689 20 0 EHADRM CC(C)(C)O[C@@H](C(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC000833446118 605181533 /nfs/dbraw/zinc/18/15/33/605181533.db2.gz OZXAMJYRVBYNHF-GOSISDBHSA-N -1 0 341.407 3.809 20 0 EHADRM CC(C)C[C@H]1CC[N@H+](Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000570286879 605212279 /nfs/dbraw/zinc/21/22/79/605212279.db2.gz PXUQNYDBAQWNNL-CQSZACIVSA-N -1 0 328.412 3.908 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)c1ccc2[nH]c(C(F)F)nc2c1)C(=O)[O-] ZINC000833428992 605229702 /nfs/dbraw/zinc/22/97/02/605229702.db2.gz DRTKHIGHKAZIJN-NSHDSACASA-N -1 0 340.326 3.547 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000262858500 605231203 /nfs/dbraw/zinc/23/12/03/605231203.db2.gz UZICEAZLNSHBPD-OAHLLOKOSA-N -1 0 325.408 3.911 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)c1sccc1Br)C(=O)[O-] ZINC000833428957 605235514 /nfs/dbraw/zinc/23/55/14/605235514.db2.gz DAJDPWLHKOWMLA-MRVPVSSYSA-N -1 0 335.219 3.557 20 0 EHADRM CC(C)N(Cc1ccccc1F)C(=O)Cc1ccccc1C(=O)[O-] ZINC000833499295 605239695 /nfs/dbraw/zinc/23/96/95/605239695.db2.gz USPYNXXUXHSNGZ-UHFFFAOYSA-N -1 0 329.371 3.504 20 0 EHADRM CCCC(=O)Nc1cccc(NC[C@H]2CCCN(C(=O)[O-])C2)c1C ZINC000826706015 605240392 /nfs/dbraw/zinc/24/03/92/605240392.db2.gz LBQZUITUJMDZLK-CQSZACIVSA-N -1 0 333.432 3.536 20 0 EHADRM O=C(CN(C(=O)[O-])c1ccccc1)N[C@@H]1CCSc2ccccc21 ZINC000831445720 605243079 /nfs/dbraw/zinc/24/30/79/605243079.db2.gz JILTUNBNHXJMKF-OAHLLOKOSA-N -1 0 342.420 3.524 20 0 EHADRM CCN(Cc1ccccc1NCc1nn(C)c2ccccc12)C(=O)[O-] ZINC000827187182 605245860 /nfs/dbraw/zinc/24/58/60/605245860.db2.gz RVKBLNICCSMYNZ-UHFFFAOYSA-N -1 0 338.411 3.685 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2(c3cccc(Cl)c3)CCCC2)cn1 ZINC000833782439 605256209 /nfs/dbraw/zinc/25/62/09/605256209.db2.gz GJRFKIUZDBMPHU-UHFFFAOYSA-N -1 0 344.798 3.884 20 0 EHADRM C[C@@H](Cc1noc(Cc2c(Cl)cccc2Cl)n1)N(C)C(=O)[O-] ZINC000825048415 605301861 /nfs/dbraw/zinc/30/18/61/605301861.db2.gz REZFJESVGXSFFM-QMMMGPOBSA-N -1 0 344.198 3.508 20 0 EHADRM C[C@H]1CCC[C@@H]1C(=O)Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1 ZINC000833608679 605321191 /nfs/dbraw/zinc/32/11/91/605321191.db2.gz OMRGYZCUYCLBEH-GWCFXTLKSA-N -1 0 330.409 3.883 20 0 EHADRM Cc1cc(C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)ccc1NC(=O)[O-] ZINC000829939473 605343827 /nfs/dbraw/zinc/34/38/27/605343827.db2.gz FSVKNHLDUXJKGN-CGTJXYLNSA-N -1 0 336.391 3.543 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)Nc1cc(C(=O)[O-])cs1)C(F)(F)F ZINC000833423246 605400223 /nfs/dbraw/zinc/40/02/23/605400223.db2.gz GITJXRIEWONFSE-QMMMGPOBSA-N -1 0 338.351 3.935 20 0 EHADRM O=C([O-])N1CC[C@@H](CCC(=O)N2CCCCC[C@H]2c2ccccc2)C1 ZINC000834075336 605417952 /nfs/dbraw/zinc/41/79/52/605417952.db2.gz KMMZMGAYRBZWSO-AEFFLSMTSA-N -1 0 344.455 3.910 20 0 EHADRM O=C([O-])Nc1ccc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)cn1 ZINC000834258997 605465267 /nfs/dbraw/zinc/46/52/67/605465267.db2.gz PYKNIFLFJHBJGA-UHFFFAOYSA-N -1 0 327.359 3.600 20 0 EHADRM Cc1ccc(C(=O)O[C@H](C(=O)[O-])c2c(F)cccc2Cl)c(F)c1 ZINC000833747711 605514634 /nfs/dbraw/zinc/51/46/34/605514634.db2.gz GBTJONFIERNNQS-AWEZNQCLSA-N -1 0 340.709 3.909 20 0 EHADRM CCOc1ccc(CN(C)C(=O)c2ccc(NC(=O)[O-])c(C)c2)cc1 ZINC000827426956 605574876 /nfs/dbraw/zinc/57/48/76/605574876.db2.gz BFRSJETWZLJOQJ-UHFFFAOYSA-N -1 0 342.395 3.756 20 0 EHADRM Cc1cc(C(=O)Nc2cc3c(cc2Cl)OCO3)ccc1NC(=O)[O-] ZINC000829962029 605585630 /nfs/dbraw/zinc/58/56/30/605585630.db2.gz RUWMTMZHGAWZTB-UHFFFAOYSA-N -1 0 348.742 3.719 20 0 EHADRM Cc1cc(C(=O)N2CCCc3ccc(F)cc32)ccc1NC(=O)[O-] ZINC000829930602 605620369 /nfs/dbraw/zinc/62/03/69/605620369.db2.gz YRDKVQYGGNGEDV-UHFFFAOYSA-N -1 0 328.343 3.817 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(-c3cnco3)c2)ccc1NC(=O)[O-] ZINC000829965780 605629997 /nfs/dbraw/zinc/62/99/97/605629997.db2.gz ISNDDYQSEUKRGT-UHFFFAOYSA-N -1 0 337.335 3.992 20 0 EHADRM COc1ccc(Cl)c(NC(=O)c2ccc(NC(=O)[O-])c(C)c2)c1 ZINC000829396999 605642040 /nfs/dbraw/zinc/64/20/40/605642040.db2.gz RAMCCTMHXXBXFD-UHFFFAOYSA-N -1 0 334.759 3.999 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000834275633 605645045 /nfs/dbraw/zinc/64/50/45/605645045.db2.gz LVWOEZCRDWYNAZ-CQSZACIVSA-N -1 0 326.352 3.533 20 0 EHADRM O=C([O-])N1CCC(CCNc2ccc3c(cnn3C(F)F)c2)CC1 ZINC000834072209 605647106 /nfs/dbraw/zinc/64/71/06/605647106.db2.gz DSRPVZSIXDJOFJ-UHFFFAOYSA-N -1 0 338.358 3.623 20 0 EHADRM Cc1cc(C(=O)Nc2cnn(-c3ccccc3)c2)ccc1NC(=O)[O-] ZINC000829971376 605653920 /nfs/dbraw/zinc/65/39/20/605653920.db2.gz LBEKACPIFWSXMV-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)NCCCc3cccs3)ccc21 ZINC000834041435 605655005 /nfs/dbraw/zinc/65/50/05/605655005.db2.gz LIJGQJQXLNTZSE-UHFFFAOYSA-N -1 0 345.424 3.543 20 0 EHADRM C[C@H](OC(=O)c1ccc([C@@H]2CCCOC2)cc1)c1ccc(C(=O)[O-])o1 ZINC000833532648 605673269 /nfs/dbraw/zinc/67/32/69/605673269.db2.gz RQIWMNVPDVKIEI-SWLSCSKDSA-N -1 0 344.363 3.790 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N1CC(Cc2ccccc2Cl)C1 ZINC000833289197 605706093 /nfs/dbraw/zinc/70/60/93/605706093.db2.gz IWRZNENGUNJNMI-UHFFFAOYSA-N -1 0 344.798 3.745 20 0 EHADRM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(NC(=O)[O-])c(C)c2)C12CCC2 ZINC000827379646 605712970 /nfs/dbraw/zinc/71/29/70/605712970.db2.gz LYKIRCLQUBWIJK-CVEARBPZSA-N -1 0 346.427 3.505 20 0 EHADRM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000833604775 605713440 /nfs/dbraw/zinc/71/34/40/605713440.db2.gz GNBPPYLJSNHBEI-IUCAKERBSA-N -1 0 348.296 3.719 20 0 EHADRM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000833604087 605716041 /nfs/dbraw/zinc/71/60/41/605716041.db2.gz CVQJGTFKUFXWEP-BDAKNGLRSA-N -1 0 348.296 3.719 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NCc2cccc(-c3ccccn3)c2)cc1 ZINC000834255760 605719478 /nfs/dbraw/zinc/71/94/78/605719478.db2.gz JSLHSDMHYMMSRN-UHFFFAOYSA-N -1 0 347.374 3.769 20 0 EHADRM O=C([O-])N1CCCCC[C@H]1c1noc(CCC(=O)c2cccs2)n1 ZINC000834001694 605724616 /nfs/dbraw/zinc/72/46/16/605724616.db2.gz VHXPRRYOGKJHPG-NSHDSACASA-N -1 0 349.412 3.542 20 0 EHADRM CC[C@H](c1ccncc1)N(CC)C(=O)CN(C(=O)[O-])c1ccccc1 ZINC000826639583 605737236 /nfs/dbraw/zinc/73/72/36/605737236.db2.gz OCBRVCGJSOZRGJ-QGZVFWFLSA-N -1 0 341.411 3.566 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)NC2(c3cccc(Cl)c3)CC2)c1 ZINC000834265062 605770372 /nfs/dbraw/zinc/77/03/72/605770372.db2.gz LICIEBJAMDIHHQ-UHFFFAOYSA-N -1 0 344.798 3.778 20 0 EHADRM CC(C)c1cc(Br)ccc1NC(=O)CCCC(=O)[O-] ZINC000833508297 605781700 /nfs/dbraw/zinc/78/17/00/605781700.db2.gz CFHOJWIOHBMNDE-UHFFFAOYSA-N -1 0 328.206 3.766 20 0 EHADRM C[C@H]1CCCCN1C(=O)CSCc1cc(C(=O)[O-])ccc1Cl ZINC000833611544 605789096 /nfs/dbraw/zinc/78/90/96/605789096.db2.gz KLQBIBUAUMKPCN-NSHDSACASA-N -1 0 341.860 3.672 20 0 EHADRM Cc1cc(C(=O)O[C@H](C)c2nc(C(C)(C)C)no2)ccc1NC(=O)[O-] ZINC000829972340 605834659 /nfs/dbraw/zinc/83/46/59/605834659.db2.gz ZAXNTVVAHHJOSB-SNVBAGLBSA-N -1 0 347.371 3.683 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cc(F)c(Cl)cc2F)cc1 ZINC000834263151 605837520 /nfs/dbraw/zinc/83/75/20/605837520.db2.gz XOKIILCRAYUPOH-UHFFFAOYSA-N -1 0 326.686 3.960 20 0 EHADRM CCCN(C(=O)C/C=C/c1ccc(F)cc1)C1CCN(C(=O)[O-])CC1 ZINC000826857802 605879803 /nfs/dbraw/zinc/87/98/03/605879803.db2.gz JRQHWVMQACOSJL-ONEGZZNKSA-N -1 0 348.418 3.610 20 0 EHADRM Cc1cc(C(=O)NCCOc2ccccc2Cl)ccc1NC(=O)[O-] ZINC000833898214 605942293 /nfs/dbraw/zinc/94/22/93/605942293.db2.gz LVECGFVKDVRTRW-UHFFFAOYSA-N -1 0 348.786 3.547 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N2CC=C(c3ccccc3F)C2)cc1 ZINC000834263822 605972354 /nfs/dbraw/zinc/97/23/54/605972354.db2.gz YZFPTFOKEWYKCY-UHFFFAOYSA-N -1 0 341.342 3.847 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)Nc2c(F)cc(Cl)cc2F)cc1 ZINC000834255622 605973798 /nfs/dbraw/zinc/97/37/98/605973798.db2.gz KHMYCVUEQKATFR-UHFFFAOYSA-N -1 0 340.713 3.889 20 0 EHADRM O=C([O-])NC1(c2noc(/C=C/c3ccc4[nH]ccc4c3)n2)CCCC1 ZINC000834157952 606010220 /nfs/dbraw/zinc/01/02/20/606010220.db2.gz MUIKFNYXKIUIFW-GQCTYLIASA-N -1 0 338.367 3.758 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCCCc1ccc(O)cc1 ZINC000833906779 606012474 /nfs/dbraw/zinc/01/24/74/606012474.db2.gz LPLWLBWRSKRPTE-UHFFFAOYSA-N -1 0 343.383 3.545 20 0 EHADRM COc1ccc(NC(=O)Cc2ccccc2NC(=O)[O-])cc1Cl ZINC000833888482 606040144 /nfs/dbraw/zinc/04/01/44/606040144.db2.gz BZIZBBMUBBECAQ-UHFFFAOYSA-N -1 0 334.759 3.620 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)Nc1ccnn1C1CCCCC1 ZINC000834272499 606057791 /nfs/dbraw/zinc/05/77/91/606057791.db2.gz DUYBMARZGFNCMP-UHFFFAOYSA-N -1 0 342.399 3.659 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N[C@@H]2CCSc3c(F)cccc32)c1 ZINC000740028941 606070592 /nfs/dbraw/zinc/07/05/92/606070592.db2.gz LLGWPPSZFZQRRC-CQSZACIVSA-N -1 0 346.383 3.883 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)NCCCCOc2ccc(F)cc2)c1 ZINC000740031018 606083174 /nfs/dbraw/zinc/08/31/74/606083174.db2.gz OJVXGCOTWFGORI-UHFFFAOYSA-N -1 0 346.358 3.505 20 0 EHADRM CC(C)(C)c1csc(CN2CCc3ccccc3[C@H]2C(=O)[O-])n1 ZINC000321375515 970766503 /nfs/dbraw/zinc/76/65/03/970766503.db2.gz DCHIYYWXQPIPRR-INIZCTEOSA-N -1 0 330.453 3.625 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2ccccc2[nH]1)c1ccc(Cl)c(F)c1 ZINC000181897461 939033745 /nfs/dbraw/zinc/03/37/45/939033745.db2.gz YVLWKDOBPQPHHL-HNNXBMFYSA-N -1 0 346.745 3.516 20 0 EHADRM Cc1c(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)cccc1-c1ccccn1 ZINC000190749191 939035616 /nfs/dbraw/zinc/03/56/16/939035616.db2.gz AOGDMRYKQKUKTM-LJQANCHMSA-N -1 0 346.386 3.613 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cccc2[nH]ccc21)c1ccc2ccccc2c1 ZINC000191476083 939037385 /nfs/dbraw/zinc/03/73/85/939037385.db2.gz YJHQKRCAYPSTHO-IBGZPJMESA-N -1 0 344.370 3.877 20 0 EHADRM Cc1cccc(OCCCCC(=O)NC2(C(=O)[O-])CCC(C)CC2)c1 ZINC000236670639 939044514 /nfs/dbraw/zinc/04/45/14/939044514.db2.gz VFZGFIHEGOIULO-UHFFFAOYSA-N -1 0 347.455 3.694 20 0 EHADRM Cc1ccc2nc(C)c(C(=O)NC3(C(=O)[O-])CCCCCC3)cc2c1 ZINC000237899126 939051223 /nfs/dbraw/zinc/05/12/23/939051223.db2.gz LGNBULXHQGJMJW-UHFFFAOYSA-N -1 0 340.423 3.759 20 0 EHADRM Cc1cc2occ(CC(=O)N[C@@H](C(=O)[O-])c3ccccc3)c2cc1C ZINC000237915945 939051628 /nfs/dbraw/zinc/05/16/28/939051628.db2.gz LZDDYDBJTZGBEG-LJQANCHMSA-N -1 0 337.375 3.534 20 0 EHADRM C/C(=C\c1cccc(Cl)c1)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000761591776 939067816 /nfs/dbraw/zinc/06/78/16/939067816.db2.gz BSCBCDLGKYNYEW-XSSIKURBSA-N -1 0 343.810 3.860 20 0 EHADRM C[C@](NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC000766961768 939082774 /nfs/dbraw/zinc/08/27/74/939082774.db2.gz JMYIZJPJAMLQBM-JTDSTZFVSA-N -1 0 343.810 3.560 20 0 EHADRM CC[C@@](NC(=O)/C(C)=C\c1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC000776618969 939089315 /nfs/dbraw/zinc/08/93/15/939089315.db2.gz HVEYVCOLDLHILB-ODLZTCLXSA-N -1 0 341.382 3.735 20 0 EHADRM C[C@H](CC(=O)N[C@](C)(C(=O)[O-])c1ccc(F)cc1)c1ccccc1F ZINC000263124562 939102140 /nfs/dbraw/zinc/10/21/40/939102140.db2.gz GZXRRWSKSSUNNI-BLVKFPJESA-N -1 0 347.361 3.575 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000263167010 939105729 /nfs/dbraw/zinc/10/57/29/939105729.db2.gz QGHXMYOTOYRXCB-MCIONIFRSA-N -1 0 349.839 3.756 20 0 EHADRM Cc1cc(C)cc([C@H](NC(=O)CC(C)(C)C(F)(F)F)C(=O)[O-])c1 ZINC000263205066 939109668 /nfs/dbraw/zinc/10/96/68/939109668.db2.gz YZOFCKWJHHBFQA-ZDUSSCGKSA-N -1 0 331.334 3.524 20 0 EHADRM Cc1ccc(CCC(=O)N[C@@H](C(=O)[O-])c2cccs2)cc1Cl ZINC000316630669 939122192 /nfs/dbraw/zinc/12/21/92/939122192.db2.gz MWHJZBMUTCEPCN-OAHLLOKOSA-N -1 0 337.828 3.585 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000320317060 939123368 /nfs/dbraw/zinc/12/33/68/939123368.db2.gz VTHLPAGMEQVYBZ-KRWDZBQOSA-N -1 0 349.839 3.792 20 0 EHADRM CCCOc1ccc(NC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)c(C)c1 ZINC000780458989 939124962 /nfs/dbraw/zinc/12/49/62/939124962.db2.gz NKQDNALKXDQJLQ-QGZVFWFLSA-N -1 0 348.443 3.939 20 0 EHADRM C[C@](NC(=O)Nc1ccc2c(c1)Cc1ccccc1-2)(C(=O)[O-])C1CC1 ZINC000326793844 939126910 /nfs/dbraw/zinc/12/69/10/939126910.db2.gz QRMCVNRHLQCXLK-HXUWFJFHSA-N -1 0 336.391 3.633 20 0 EHADRM CCCCOc1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000327415425 939127649 /nfs/dbraw/zinc/12/76/49/939127649.db2.gz NGSHMTVAFONXKT-HXUWFJFHSA-N -1 0 341.407 3.595 20 0 EHADRM CCCCS[C@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000345814296 939128464 /nfs/dbraw/zinc/12/84/64/939128464.db2.gz VVQPZNXJBCYGNA-RNCFNFMXSA-N -1 0 347.839 3.643 20 0 EHADRM CCCc1ccc(NC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000391995974 939136814 /nfs/dbraw/zinc/13/68/14/939136814.db2.gz JPLTZEVZBDSSCQ-IBGZPJMESA-N -1 0 326.396 3.761 20 0 EHADRM Cc1cc(C)cc([C@H](NC(=O)NC[C@@H](C)c2ccccc2)C(=O)[O-])c1 ZINC000797703974 939160315 /nfs/dbraw/zinc/16/03/15/939160315.db2.gz MJRZXQYNZYFKSX-QAPCUYQASA-N -1 0 340.423 3.532 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)C1 ZINC000431859369 939163208 /nfs/dbraw/zinc/16/32/08/939163208.db2.gz RGYYSEIMNSKWED-BVGQSLNGSA-N -1 0 325.408 3.908 20 0 EHADRM CCOc1cccc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)c1 ZINC000431862257 939163593 /nfs/dbraw/zinc/16/35/93/939163593.db2.gz XUVNYAOFULENGE-LJQANCHMSA-N -1 0 349.386 3.794 20 0 EHADRM CCC(CC)[C@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000448986348 939204402 /nfs/dbraw/zinc/20/44/02/939204402.db2.gz FEHBUAWEMJSCEL-HZMBPMFUSA-N -1 0 343.370 3.602 20 0 EHADRM CC[C@H](C(=O)N[C@](CC)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000447895473 939204652 /nfs/dbraw/zinc/20/46/52/939204652.db2.gz YWCVLZVJEAJJBO-PXNSSMCTSA-N -1 0 325.408 3.687 20 0 EHADRM CC[C@](NC(=O)CC(C)(C)c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000485358732 939225807 /nfs/dbraw/zinc/22/58/07/939225807.db2.gz PNEAOWPYBQMRBX-OAQYLSRUSA-N -1 0 339.435 3.861 20 0 EHADRM CC[C@](NC(=O)[C@H]1CC12CCCC2)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507316474 939235234 /nfs/dbraw/zinc/23/52/34/939235234.db2.gz GZBYCHIEWJNNIG-RDTXWAMCSA-N -1 0 335.831 3.726 20 0 EHADRM Cc1cc(C)cc(NC(=O)N[C@H](C(=O)[O-])c2ccc(C)c(C)c2)c1 ZINC000514706884 939237912 /nfs/dbraw/zinc/23/79/12/939237912.db2.gz RRLFCPRXIQECHL-KRWDZBQOSA-N -1 0 326.396 3.868 20 0 EHADRM Cc1ccc(C)c(CC(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000537366367 939266061 /nfs/dbraw/zinc/26/60/61/939266061.db2.gz PNVGXLLBALJSGG-QGZVFWFLSA-N -1 0 349.789 3.581 20 0 EHADRM CC[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc(OC(F)F)cc1)C(C)C ZINC000537402873 939269006 /nfs/dbraw/zinc/26/90/06/939269006.db2.gz JZTSSVRUNSVYJO-XHDPSFHLSA-N -1 0 343.370 3.602 20 0 EHADRM CC(C)[C@@](NC(=O)N(C)C1CCCCC1)(C(=O)[O-])c1ccccc1 ZINC000539408851 939280180 /nfs/dbraw/zinc/28/01/80/939280180.db2.gz YWJOLVXQEQZSIU-IBGZPJMESA-N -1 0 332.444 3.597 20 0 EHADRM CN(C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1)C1CCCC1 ZINC000554702959 939300877 /nfs/dbraw/zinc/30/08/77/939300877.db2.gz RNGWUYXGNDTEIO-QGZVFWFLSA-N -1 0 326.396 3.550 20 0 EHADRM CCCCCOc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000560217924 939318178 /nfs/dbraw/zinc/31/81/78/939318178.db2.gz OISFLSRDFFOBTF-GOSISDBHSA-N -1 0 341.407 3.811 20 0 EHADRM C[C@@](NC(=O)Nc1ccc2nc(C3CC3)sc2c1)(C(=O)[O-])C1CC1 ZINC000561533734 939319200 /nfs/dbraw/zinc/31/92/00/939319200.db2.gz GYRJIQJPXPGISQ-KRWDZBQOSA-N -1 0 345.424 3.549 20 0 EHADRM O=C([O-])[C@@H](NC(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccsc1 ZINC000562391812 939322021 /nfs/dbraw/zinc/32/20/21/939322021.db2.gz UDQUWMRYEIMJAV-VIRABCJISA-N -1 0 336.457 3.532 20 0 EHADRM CCO[C@@H]1C[C@@](NC(=O)Nc2ccc(C(C)C)cc2)(C(=O)[O-])C1(C)C ZINC000563931791 939342919 /nfs/dbraw/zinc/34/29/19/939342919.db2.gz XGEGIUSDLUNPCF-DNVCBOLYSA-N -1 0 348.443 3.590 20 0 EHADRM Cc1cccc([C@@H](NC(=O)Nc2cc(F)cc(F)c2)C(=O)[O-])c1C ZINC000565870535 939352353 /nfs/dbraw/zinc/35/23/53/939352353.db2.gz VLSFOYBVWRMWIA-OAHLLOKOSA-N -1 0 334.322 3.529 20 0 EHADRM CC[C@](NC(=O)CC(C)(C)CC(F)F)(C(=O)[O-])c1ccccc1 ZINC000908940959 939358957 /nfs/dbraw/zinc/35/89/57/939358957.db2.gz NCFNYMBVEGFCQY-QGZVFWFLSA-N -1 0 327.371 3.564 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1ccc(F)cc1)c1ccc(Cl)c(F)c1 ZINC000569427221 939375355 /nfs/dbraw/zinc/37/53/55/939375355.db2.gz VFIYBKMCTMYNAB-CYBMUJFWSA-N -1 0 340.713 3.566 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N[C@@H](C(=O)[O-])c1ccsc1 ZINC000571463765 939391211 /nfs/dbraw/zinc/39/12/11/939391211.db2.gz HNXYIKCWINXMGK-CZUORRHYSA-N -1 0 331.437 3.649 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)N[C@H](C(=O)[O-])c2ccc(C)c(C)c2)cc1 ZINC000575737017 939733943 /nfs/dbraw/zinc/73/39/43/939733943.db2.gz ZLBRDRUZIVURBR-QAPCUYQASA-N -1 0 340.423 3.798 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2ccccn2c1)c1ccc2ccccc2c1 ZINC000575817578 939734260 /nfs/dbraw/zinc/73/42/60/939734260.db2.gz XMLRBMAZEYFMPN-IBGZPJMESA-N -1 0 344.370 3.648 20 0 EHADRM CCC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000575821477 939734393 /nfs/dbraw/zinc/73/43/93/939734393.db2.gz JOWSXPBXEOFSDW-HOCLYGCPSA-N -1 0 346.452 3.584 20 0 EHADRM C[C@H](CC(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21)C(F)(F)F ZINC000910937399 939761366 /nfs/dbraw/zinc/76/13/66/939761366.db2.gz REYDOSHFLHFHDT-BMIGLBTASA-N -1 0 339.313 3.670 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccn2)cc1Cl ZINC000911481172 939773831 /nfs/dbraw/zinc/77/38/31/939773831.db2.gz GNTYSMUJLMXRRH-OAHLLOKOSA-N -1 0 346.814 3.588 20 0 EHADRM C[C@@H](NC(=O)N[C@@](C)(C(=O)[O-])C1CC1)c1cc2ccccc2s1 ZINC000583043644 939788584 /nfs/dbraw/zinc/78/85/84/939788584.db2.gz ZJKUUKAKLFYWNA-BMLIUANNSA-N -1 0 332.425 3.515 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1ccccc1F)c1ccc(Cl)c(F)c1 ZINC000584816958 939800104 /nfs/dbraw/zinc/80/01/04/939800104.db2.gz FBWSBSBVIRTOOG-CYBMUJFWSA-N -1 0 340.713 3.566 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1C(=O)NC1(C(=O)[O-])CCC1 ZINC000630145290 939812610 /nfs/dbraw/zinc/81/26/10/939812610.db2.gz XILZZDVIUUMFIT-UHFFFAOYSA-N -1 0 325.364 3.524 20 0 EHADRM Cc1cccc([C@@H](NC(=O)CC2CCC(F)(F)CC2)C(=O)[O-])c1C ZINC000630189093 939815152 /nfs/dbraw/zinc/81/51/52/939815152.db2.gz JEMFLGWJSWJMAA-MRXNPFEDSA-N -1 0 339.382 3.761 20 0 EHADRM CCOCc1cccc(NC(=O)N[C@H](C(=O)[O-])C2CCCCCC2)c1 ZINC000653487539 939836191 /nfs/dbraw/zinc/83/61/91/939836191.db2.gz AFMFPSBPUVGOHV-KRWDZBQOSA-N -1 0 348.443 3.768 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)c1 ZINC000659180193 939849865 /nfs/dbraw/zinc/84/98/65/939849865.db2.gz PEIPPSLUEQPHFW-HZRBXJLLSA-N -1 0 341.860 3.825 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC000663038226 939850770 /nfs/dbraw/zinc/85/07/70/939850770.db2.gz GCSMWCMWMDPAHP-CYBMUJFWSA-N -1 0 329.318 3.843 20 0 EHADRM O=C([O-])[C@H](C(=O)N[C@@H]1CCc2ccc(-c3ccccc3)cc21)C1CC1 ZINC000663051890 939851454 /nfs/dbraw/zinc/85/14/54/939851454.db2.gz GWPBHOAQPAWLFN-MOPGFXCFSA-N -1 0 335.403 3.568 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1nc(-c2ccccc2Cl)cs1)C1CC1 ZINC000663076443 939852985 /nfs/dbraw/zinc/85/29/85/939852985.db2.gz PXSMPOZRPAWQGL-GFCCVEGCSA-N -1 0 336.800 3.513 20 0 EHADRM O=C([O-])[C@@]1(NC(=O)c2csc3ccccc23)CCc2ccccc21 ZINC000675990690 939867494 /nfs/dbraw/zinc/86/74/94/939867494.db2.gz JYPMEEWMOPAHGE-LJQANCHMSA-N -1 0 337.400 3.557 20 0 EHADRM Cc1ccc(SCC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)c(C)c1 ZINC000678978042 939868350 /nfs/dbraw/zinc/86/83/50/939868350.db2.gz UAZWGZBUNNXSOC-LJQANCHMSA-N -1 0 343.448 3.512 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1cccc2ccccc21)c1ccccc1F ZINC000683921616 939871250 /nfs/dbraw/zinc/87/12/50/939871250.db2.gz VNTAAQYKLTWUJF-QGZVFWFLSA-N -1 0 338.338 3.926 20 0 EHADRM O=C([O-])[C@H](NC(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccccc1F ZINC000684714946 939871640 /nfs/dbraw/zinc/87/16/40/939871640.db2.gz GHWPUWRKDCVKSN-ZOMKSWQUSA-N -1 0 348.418 3.610 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)Nc2ccc(Cl)cc2F)C1 ZINC000321731946 970802125 /nfs/dbraw/zinc/80/21/25/970802125.db2.gz SZJMXJYVNJRPOV-SNVBAGLBSA-N -1 0 342.798 3.834 20 0 EHADRM CCc1ccc(CNC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)s1 ZINC000321790097 970807297 /nfs/dbraw/zinc/80/72/97/970807297.db2.gz UXHBFNVJQCVEFM-UHFFFAOYSA-N -1 0 340.351 3.609 20 0 EHADRM Cc1cccc(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)c1Cl ZINC000321841449 970814074 /nfs/dbraw/zinc/81/40/74/970814074.db2.gz AAFRXEJZUKXMKB-UHFFFAOYSA-N -1 0 329.783 3.545 20 0 EHADRM Cc1ccc(NC(=O)N(C)[C@@H](C)Cc2cccs2)cc1C(=O)[O-] ZINC000321882776 970819914 /nfs/dbraw/zinc/81/99/14/970819914.db2.gz CFGWSVFKYWBHEL-LBPRGKRZSA-N -1 0 332.425 3.850 20 0 EHADRM Cc1csc([C@@H](NCc2ccc(C(=O)[O-])cc2)C(F)(F)F)n1 ZINC001600655290 970842668 /nfs/dbraw/zinc/84/26/68/970842668.db2.gz OAGOUYHYNBAJDB-LLVKDONJSA-N -1 0 330.331 3.543 20 0 EHADRM CCC(CC)(CNC(=O)C1(c2cccc(Cl)c2)CCC1)C(=O)[O-] ZINC000322063637 970843266 /nfs/dbraw/zinc/84/32/66/970843266.db2.gz MGJDTDNQTOVSRX-UHFFFAOYSA-N -1 0 337.847 3.769 20 0 EHADRM CCC(CC)(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000322295734 970869018 /nfs/dbraw/zinc/86/90/18/970869018.db2.gz YSVQDIYGDXIZFG-UHFFFAOYSA-N -1 0 334.294 3.917 20 0 EHADRM Cc1cc(Cl)c2ccccc2c1NC(=O)c1cnc(C(=O)[O-])cn1 ZINC001611146357 970911456 /nfs/dbraw/zinc/91/14/56/970911456.db2.gz BYPVBCBHJDFQSQ-UHFFFAOYSA-N -1 0 341.754 3.542 20 0 EHADRM Cc1cc(Cl)cc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000322687045 970918432 /nfs/dbraw/zinc/91/84/32/970918432.db2.gz IIIHDOVCRNKFTG-HNNXBMFYSA-N -1 0 329.783 3.867 20 0 EHADRM Cc1ccc(CNc2cccc(CC(=O)[O-])c2)c(-c2ccnn2C)c1 ZINC001611177481 970925636 /nfs/dbraw/zinc/92/56/36/970925636.db2.gz YBGPDPRIMRHFRQ-UHFFFAOYSA-N -1 0 335.407 3.635 20 0 EHADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NCCCCCCC(C)C ZINC000322857216 970936297 /nfs/dbraw/zinc/93/62/97/970936297.db2.gz YZDLELHFASILHA-UHFFFAOYSA-N -1 0 341.473 3.578 20 0 EHADRM CSC1(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)CCCCC1 ZINC000322963339 970951411 /nfs/dbraw/zinc/95/14/11/970951411.db2.gz HTMYSIVURJBKHS-UHFFFAOYSA-N -1 0 340.420 3.711 20 0 EHADRM Cc1sc(NC(=O)CNc2cccc(CCC(=O)[O-])c2)c(C)c1C ZINC001611268169 970961733 /nfs/dbraw/zinc/96/17/33/970961733.db2.gz FVMYEJAYGFZDBD-UHFFFAOYSA-N -1 0 346.452 3.741 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1sc2ncccc2c1Cl)c1ccccc1 ZINC001601567157 971018588 /nfs/dbraw/zinc/01/85/88/971018588.db2.gz GUNIRIGIOTYYJY-LBPRGKRZSA-N -1 0 346.795 3.505 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)Nc2cccc(SC(F)(F)F)c2)C1 ZINC001601620388 971030655 /nfs/dbraw/zinc/03/06/55/971030655.db2.gz PLULCVYXSFVMLO-SCZZXKLOSA-N -1 0 348.346 3.673 20 0 EHADRM O=C([O-])c1cncc(NC(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c1 ZINC001601628702 971034326 /nfs/dbraw/zinc/03/43/26/971034326.db2.gz NYKHFIQPYYKRGG-YEORSEQZSA-N -1 0 345.786 3.501 20 0 EHADRM Cc1c(C(=O)[O-])cc(CNc2ccc(OC(F)F)c(Cl)c2)n1C ZINC000323779982 971038061 /nfs/dbraw/zinc/03/80/61/971038061.db2.gz CPNZOBIPZSGHNF-UHFFFAOYSA-N -1 0 344.745 3.899 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)[C@H]1CCc2ccccc2C1 ZINC000324109565 971085211 /nfs/dbraw/zinc/08/52/11/971085211.db2.gz QIHKWKXFKHKQLB-ZDUSSCGKSA-N -1 0 329.783 3.782 20 0 EHADRM O=C([O-])CC1(NC(=O)c2[nH]ccc2-c2ccccc2)CCCCC1 ZINC001601930199 971089603 /nfs/dbraw/zinc/08/96/03/971089603.db2.gz GRXAEANFUSIANE-UHFFFAOYSA-N -1 0 326.396 3.589 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)Cc2c(F)cccc2Cl)c1F ZINC000324281219 971104672 /nfs/dbraw/zinc/10/46/72/971104672.db2.gz PVJOCHWYWFCPFL-UHFFFAOYSA-N -1 0 343.688 3.637 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1ccc(Cl)c2ncccc12 ZINC001601985260 971111587 /nfs/dbraw/zinc/11/15/87/971111587.db2.gz LOGAWXUUFARRSG-UHFFFAOYSA-N -1 0 335.791 3.655 20 0 EHADRM Cc1ccc(C)c(OCCC(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC000324452829 971121416 /nfs/dbraw/zinc/12/14/16/971121416.db2.gz HAFOBOYDNCBAJB-UHFFFAOYSA-N -1 0 331.343 3.548 20 0 EHADRM CCCc1ccc(NC(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cc1 ZINC000324580109 971134838 /nfs/dbraw/zinc/13/48/38/971134838.db2.gz ZSCSLDFNCMXKMS-OAHLLOKOSA-N -1 0 344.333 3.510 20 0 EHADRM Cc1ccc(N(C)CCOc2ccc(/C=C\C(=O)[O-])cc2)c(C)c1 ZINC000324596202 971137346 /nfs/dbraw/zinc/13/73/46/971137346.db2.gz SCRVLHSCVPJIPF-XFFZJAGNSA-N -1 0 325.408 3.916 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CC[C@H]3CCCC[C@@H]3C2)c(F)cc1F ZINC000324655086 971144236 /nfs/dbraw/zinc/14/42/36/971144236.db2.gz CVMQCPZRQZPDTJ-GHMZBOCLSA-N -1 0 338.354 3.707 20 0 EHADRM O=C([O-])COc1cccc(C(=O)Nc2cccc3ccsc32)c1 ZINC001602091345 971151338 /nfs/dbraw/zinc/15/13/38/971151338.db2.gz DFGXZCOOOSLCLD-UHFFFAOYSA-N -1 0 327.361 3.617 20 0 EHADRM Cc1cc(C)c(NC(=O)NCCc2ccccc2C(=O)[O-])c(C)c1 ZINC000324930934 971171304 /nfs/dbraw/zinc/17/13/04/971171304.db2.gz NPMIHTFTIUKCMI-UHFFFAOYSA-N -1 0 326.396 3.674 20 0 EHADRM N#Cc1ccc(NC[C@@H](C(=O)[O-])c2ccccc2)cc1C(F)(F)F ZINC000324951025 971172467 /nfs/dbraw/zinc/17/24/67/971172467.db2.gz GWSNEEJWUOHGJR-CQSZACIVSA-N -1 0 334.297 3.857 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)nc1 ZINC001602374498 971189946 /nfs/dbraw/zinc/18/99/46/971189946.db2.gz JKGSUCNOTGPKPO-IAGOWNOFSA-N -1 0 332.359 3.675 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)N(Cc2cccc(F)c2)C2CCC2)c1 ZINC001602480968 971207609 /nfs/dbraw/zinc/20/76/09/971207609.db2.gz QBIQOWUVTPKDOM-UHFFFAOYSA-N -1 0 343.358 3.506 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)[C@H]2CCCc3ccccc32)cc1F ZINC000325518664 971222485 /nfs/dbraw/zinc/22/24/85/971222485.db2.gz CTUFLGNKYGEDMX-ZDUSSCGKSA-N -1 0 331.318 3.722 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cc(C(F)(F)F)ccc2F)c1O ZINC000325679669 971235990 /nfs/dbraw/zinc/23/59/90/971235990.db2.gz NYTGKYJKPFVMMZ-UHFFFAOYSA-N -1 0 343.232 3.501 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)c1csc3c1CCCC3)C2 ZINC000325835476 971247465 /nfs/dbraw/zinc/24/74/65/971247465.db2.gz VFBMJFUGZFQGMG-UHFFFAOYSA-N -1 0 341.432 3.524 20 0 EHADRM COc1cccc(Cl)c1CNC(=O)Nc1ccc(C(=O)[O-])cc1C ZINC000325911366 971254080 /nfs/dbraw/zinc/25/40/80/971254080.db2.gz FDBUPXRNWMCWGF-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM CCCC[C@@H](CC)CNC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000326053215 971263431 /nfs/dbraw/zinc/26/34/31/971263431.db2.gz BXMKGAJPNLQCCF-PBHICJAKSA-N -1 0 332.444 3.596 20 0 EHADRM CC(=O)c1c(C)cc(Oc2snc(Cl)c2-c2nnn[n-]2)cc1C ZINC001573550576 946863803 /nfs/dbraw/zinc/86/38/03/946863803.db2.gz CDKBNZLOGPTKIU-UHFFFAOYSA-N -1 0 349.803 3.588 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)c1ccc2c(c1)CCO2 ZINC000326657390 971314060 /nfs/dbraw/zinc/31/40/60/971314060.db2.gz CZFBGYGJNMUTFR-UHFFFAOYSA-N -1 0 333.343 3.725 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)Nc2ccc3ccccc3c2)cc1 ZINC000326681705 971316013 /nfs/dbraw/zinc/31/60/13/971316013.db2.gz NYNGQBSNHLCQEK-UHFFFAOYSA-N -1 0 334.375 3.902 20 0 EHADRM Cc1cc(C)c(NC(=O)COc2ccc(C)c(C(=O)[O-])c2)c(C)c1 ZINC000326703258 971319236 /nfs/dbraw/zinc/31/92/36/971319236.db2.gz XYTVGFBDJQFLHK-UHFFFAOYSA-N -1 0 327.380 3.636 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)c1ccnc2ccccc21 ZINC000327057109 971361175 /nfs/dbraw/zinc/36/11/75/971361175.db2.gz QUMIEQUPLHGMOI-UHFFFAOYSA-N -1 0 332.359 3.526 20 0 EHADRM Cc1cccc(OCCC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)c1C ZINC000327077318 971364104 /nfs/dbraw/zinc/36/41/04/971364104.db2.gz RTUISFGLXZAAOE-UHFFFAOYSA-N -1 0 349.333 3.687 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)NCc2cccc3ccccc32)C1 ZINC000327329251 971388351 /nfs/dbraw/zinc/38/83/51/971388351.db2.gz CDLDPZPHRZBICA-OAHLLOKOSA-N -1 0 340.423 3.626 20 0 EHADRM COc1ccc(NC(=O)c2cc(C)nc3ccccc32)c(C(=O)[O-])c1 ZINC000327413854 971397581 /nfs/dbraw/zinc/39/75/81/971397581.db2.gz XJOVPEPGJIGCHZ-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM CC(C)CC1(CNC(=O)Nc2ccc(OCC(=O)[O-])cc2)CCCC1 ZINC000327514079 971405722 /nfs/dbraw/zinc/40/57/22/971405722.db2.gz HCMPVUQPVBTQBZ-UHFFFAOYSA-N -1 0 348.443 3.878 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000327806198 971426535 /nfs/dbraw/zinc/42/65/35/971426535.db2.gz BPSXMHGQUHNIPU-GDBMZVCRSA-N -1 0 339.391 3.804 20 0 EHADRM Cc1ccc2c(CC(=O)N[C@H](CC3CCCCC3)C(=O)[O-])coc2c1 ZINC000327851041 971428604 /nfs/dbraw/zinc/42/86/04/971428604.db2.gz UKNYZBWBIKHOAC-QGZVFWFLSA-N -1 0 343.423 3.824 20 0 EHADRM CCc1ccc(NC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)cc1C ZINC000328024216 971442569 /nfs/dbraw/zinc/44/25/69/971442569.db2.gz JQEGAKJZEYCRNM-UHFFFAOYSA-N -1 0 338.407 3.846 20 0 EHADRM CC(=O)c1ccc(NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc1C ZINC001602772520 971503585 /nfs/dbraw/zinc/50/35/85/971503585.db2.gz CPEZLLQRFPEGFN-OAHLLOKOSA-N -1 0 334.416 3.599 20 0 EHADRM Cc1oc(CNC(=O)c2sc3cccc(F)c3c2C)cc1C(=O)[O-] ZINC000336876724 971514949 /nfs/dbraw/zinc/51/49/49/971514949.db2.gz IXZAIFOLSMLTMN-UHFFFAOYSA-N -1 0 347.367 3.878 20 0 EHADRM CC[C@H](NC(=O)Nc1cccc(CCC(=O)[O-])c1)c1c(C)noc1C ZINC001589566209 948872261 /nfs/dbraw/zinc/87/22/61/948872261.db2.gz QZJXNNDYPNMJNC-HNNXBMFYSA-N -1 0 345.399 3.581 20 0 EHADRM CC[C@H](NC(=O)Nc1cc(C(=O)[O-])ccn1)c1ccc(Cl)cc1 ZINC001589566234 948872581 /nfs/dbraw/zinc/87/25/81/948872581.db2.gz RXNNZHGTPYERAM-ZDUSSCGKSA-N -1 0 333.775 3.706 20 0 EHADRM Cc1cc(C(F)(F)F)ccc1CNC(=O)CC(C)(C)CC(=O)[O-] ZINC000341514349 971517444 /nfs/dbraw/zinc/51/74/44/971517444.db2.gz RPXCSGCRLUTVHN-UHFFFAOYSA-N -1 0 331.334 3.521 20 0 EHADRM COc1ccc2nc(CNc3cccc(C(=O)[O-])c3C)sc2c1 ZINC000340674319 971517687 /nfs/dbraw/zinc/51/76/87/971517687.db2.gz GPGCRDAHSWXZFR-UHFFFAOYSA-N -1 0 328.393 3.924 20 0 EHADRM CCC(CC)(NC(=O)Cc1cc2c(ccc3ccccc23)o1)C(=O)[O-] ZINC000342543935 971518909 /nfs/dbraw/zinc/51/89/09/971518909.db2.gz JQJWLJDUWPSHJA-UHFFFAOYSA-N -1 0 339.391 3.888 20 0 EHADRM C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(CSc2ccccc2)cc1 ZINC000342567207 971518971 /nfs/dbraw/zinc/51/89/71/971518971.db2.gz MLTLKMJBQIJEMH-ZDUSSCGKSA-N -1 0 329.421 3.524 20 0 EHADRM Cc1ccc(-c2nc(C(=O)Nc3ccc(CC(=O)[O-])cc3)cs2)o1 ZINC000347098970 971520958 /nfs/dbraw/zinc/52/09/58/971520958.db2.gz CXLJDYXTZCRLQD-UHFFFAOYSA-N -1 0 342.376 3.591 20 0 EHADRM CCCC[C@H](NC(=O)c1cc(C2CC2)nc2ccc(C)cc21)C(=O)[O-] ZINC000347257958 971522036 /nfs/dbraw/zinc/52/20/36/971522036.db2.gz IZXLCFJRRJGBNN-KRWDZBQOSA-N -1 0 340.423 3.794 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2occc2-c2ccccc2)Cc2ccccc21 ZINC000347341733 971523664 /nfs/dbraw/zinc/52/36/64/971523664.db2.gz HRQWLNLINUMIIY-SFHVURJKSA-N -1 0 347.370 3.771 20 0 EHADRM CC[C@H](OC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1)C(C)(C)c1ccccc1 ZINC001589580285 949009372 /nfs/dbraw/zinc/00/93/72/949009372.db2.gz XKVGNRDLBVUOCC-PVAVHDDUSA-N -1 0 348.439 3.556 20 0 EHADRM O=C([O-])c1coc(C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000352389942 971528532 /nfs/dbraw/zinc/52/85/32/971528532.db2.gz AKLVRCMGDQXWHH-INIZCTEOSA-N -1 0 331.343 3.778 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)CCc3nccs3)ccc2s1 ZINC000352862246 971529002 /nfs/dbraw/zinc/52/90/02/971529002.db2.gz MXTNIGLCGXXSIJ-UHFFFAOYSA-N -1 0 332.406 3.627 20 0 EHADRM O=C([O-])c1coc(C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)c1 ZINC000352385729 971529028 /nfs/dbraw/zinc/52/90/28/971529028.db2.gz MDRZPQRNJDMMLW-NSHDSACASA-N -1 0 340.162 3.702 20 0 EHADRM CC[C@](C)(NC(=O)CCCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000362335562 971533587 /nfs/dbraw/zinc/53/35/87/971533587.db2.gz RMSIHDJUPYOHGR-HNNXBMFYSA-N -1 0 332.227 3.686 20 0 EHADRM CSc1ccc(C)c(C(=O)Nc2ccc(OCC(=O)[O-])cc2C)c1 ZINC000362596950 971536106 /nfs/dbraw/zinc/53/61/06/971536106.db2.gz RZYBAAQXVWDEPF-UHFFFAOYSA-N -1 0 345.420 3.741 20 0 EHADRM CC[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1CC)C(=O)[O-] ZINC001589586208 949052224 /nfs/dbraw/zinc/05/22/24/949052224.db2.gz POWJYXXYYTWFBH-LLVKDONJSA-N -1 0 325.821 3.574 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001589587173 949064535 /nfs/dbraw/zinc/06/45/35/949064535.db2.gz MVQRXZMDJWDOLU-INIZCTEOSA-N -1 0 328.364 3.594 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C(F)(F)c2ccc(Cl)cc2)C1 ZINC001589591311 949087310 /nfs/dbraw/zinc/08/73/10/949087310.db2.gz OMDNLUKLLSFXIE-OAHLLOKOSA-N -1 0 345.773 3.535 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2CCc2ccccc2)CC1 ZINC000373862318 971558810 /nfs/dbraw/zinc/55/88/10/971558810.db2.gz HNJPUMWNITXAJO-FHWLQOOXSA-N -1 0 343.467 3.891 20 0 EHADRM Nc1c(Cl)cc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1Cl ZINC000126663802 949263738 /nfs/dbraw/zinc/26/37/38/949263738.db2.gz ROYZEJSJQXFVQS-UHFFFAOYSA-N -1 0 325.151 3.526 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccnc(OCc3ccccc3)c2)cc1 ZINC001595222078 949264356 /nfs/dbraw/zinc/26/43/56/949264356.db2.gz SYHOBZHAMYHBHR-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ncccc2OCc2ccccc2)cc1 ZINC001595223658 949272020 /nfs/dbraw/zinc/27/20/20/949272020.db2.gz NBOZVQOEEZNPEU-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM CC[C@]1(C)Oc2ccc(NC(=O)c3coc(/C=C/C(=O)[O-])c3)cc2O1 ZINC001589611082 949322816 /nfs/dbraw/zinc/32/28/16/949322816.db2.gz VGUVLZUAYCZCMT-SUQGKYDKSA-N -1 0 343.335 3.527 20 0 EHADRM CC[C@]1(C)Oc2ccc(NC(=O)c3coc(/C=C\C(=O)[O-])c3)cc2O1 ZINC001589611081 949323004 /nfs/dbraw/zinc/32/30/04/949323004.db2.gz VGUVLZUAYCZCMT-LZCIBIBXSA-N -1 0 343.335 3.527 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2Cc3ccccc3C3(CC3)C2)c(F)c1 ZINC001595235570 949388954 /nfs/dbraw/zinc/38/89/54/949388954.db2.gz VTABBIKACLEFQN-UHFFFAOYSA-N -1 0 340.354 3.603 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cnc3c(F)ccc(F)c3c2)c(F)c1 ZINC001595236408 949410910 /nfs/dbraw/zinc/41/09/10/949410910.db2.gz ZVFDCHYAEGVRDJ-UHFFFAOYSA-N -1 0 346.264 3.603 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1N(C)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589621244 949414330 /nfs/dbraw/zinc/41/43/30/949414330.db2.gz HVDZVNTZYZZGMY-NPJQDHAYSA-N -1 0 338.492 3.732 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)CCc1ccc(F)cc1F ZINC001595237998 949422011 /nfs/dbraw/zinc/42/20/11/949422011.db2.gz CUSAARYLLTVPLY-UHFFFAOYSA-N -1 0 345.345 3.575 20 0 EHADRM CC[C@H]1CCc2c(sc(NC(=O)c3cc(C)no3)c2C(=O)[O-])C1 ZINC001589623743 949449879 /nfs/dbraw/zinc/44/98/79/949449879.db2.gz YLWCFNTZWVFKBV-VIFPVBQESA-N -1 0 334.397 3.510 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1C(=O)CCCc1ccc2ccccc2c1 ZINC000190552673 949499546 /nfs/dbraw/zinc/49/95/46/949499546.db2.gz ZZQCIFHMSOBFNP-SFHVURJKSA-N -1 0 325.408 3.628 20 0 EHADRM CCC[C@H](C(=O)NC[C@H](C(=O)[O-])C(C)C)c1cccc(Cl)c1 ZINC001589630540 949530380 /nfs/dbraw/zinc/53/03/80/949530380.db2.gz HPJUUPZLWDQFQJ-GJZGRUSLSA-N -1 0 325.836 3.697 20 0 EHADRM CCC[C@H](Cc1ccccc1)NC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C ZINC001589631888 949555143 /nfs/dbraw/zinc/55/51/43/949555143.db2.gz AAHUTPLRUTYLHT-OAHLLOKOSA-N -1 0 331.456 3.651 20 0 EHADRM CCCCCC[C@H](C)NC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001589645083 949718014 /nfs/dbraw/zinc/71/80/14/949718014.db2.gz MTGQGLNDQQDKOY-HNAYVOBHSA-N -1 0 334.460 3.687 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)N2CCC[C@@H](C3CCCCC3)C2)c1 ZINC001595264198 949730759 /nfs/dbraw/zinc/73/07/59/949730759.db2.gz YOAKQBGZKRIKGH-OAHLLOKOSA-N -1 0 331.416 3.604 20 0 EHADRM CCC(CC)(CNC(=O)c1sc(C2CCCC2)nc1C)C(=O)[O-] ZINC000236901910 949944786 /nfs/dbraw/zinc/94/47/86/949944786.db2.gz FQVKIOGHEMTJDH-UHFFFAOYSA-N -1 0 338.473 3.730 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)cc2C1 ZINC000237548042 949965863 /nfs/dbraw/zinc/96/58/63/949965863.db2.gz XYYSCVJSMXYYQG-CHWSQXEVSA-N -1 0 335.469 3.590 20 0 EHADRM O=C([O-])CNC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000237928966 949981854 /nfs/dbraw/zinc/98/18/54/949981854.db2.gz KXNDYDQFGIWPDK-UHFFFAOYSA-N -1 0 330.192 3.536 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC000379260072 971624406 /nfs/dbraw/zinc/62/44/06/971624406.db2.gz GXEFJZXUXAKGEF-PWSUYJOCSA-N -1 0 344.333 3.779 20 0 EHADRM CCCOc1ccc(NC(=O)NC[C@@H](C(=O)[O-])C(C)C)cc1Cl ZINC001589681353 950049888 /nfs/dbraw/zinc/04/98/88/950049888.db2.gz LVFDGFHNRDSZPQ-GFCCVEGCSA-N -1 0 342.823 3.607 20 0 EHADRM CC[C@H](C)N(Cc1ccccc1)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000262169128 950078051 /nfs/dbraw/zinc/07/80/51/950078051.db2.gz QJESBJXIHGGWCF-HNNXBMFYSA-N -1 0 341.407 3.591 20 0 EHADRM Cc1cccc(C(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])c2cccc(C)c2)c1 ZINC000262270072 950100388 /nfs/dbraw/zinc/10/03/88/950100388.db2.gz YHMCTGSKSVHIMQ-ZWKOTPCHSA-N -1 0 337.419 3.620 20 0 EHADRM Cc1c(C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)oc2c1c(C)ccc2C ZINC000262834692 950170532 /nfs/dbraw/zinc/17/05/32/950170532.db2.gz CLUXEEVHLXJVQB-JSGCOSHPSA-N -1 0 329.396 3.541 20 0 EHADRM CCN(C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)[C@H](C)C(=O)[O-] ZINC001589698291 950200644 /nfs/dbraw/zinc/20/06/44/950200644.db2.gz ANRHIDWNHXVNOZ-ILFKPUCNSA-N -1 0 349.736 3.694 20 0 EHADRM CCN(C(=O)CCCc1cc(Cl)sc1Cl)[C@H](C)C(=O)[O-] ZINC001589699567 950221234 /nfs/dbraw/zinc/22/12/34/950221234.db2.gz NLHLCCFCVDCQCD-MRVPVSSYSA-N -1 0 338.256 3.699 20 0 EHADRM CCc1c(NC(=O)NC(C)(C)CCC(=O)[O-])cnn1C(CC)CC ZINC000263066024 950240940 /nfs/dbraw/zinc/24/09/40/950240940.db2.gz PERTVZJZXPULTP-UHFFFAOYSA-N -1 0 338.452 3.572 20 0 EHADRM C[C@H](NC(=O)CCCCC(=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000263276217 950347463 /nfs/dbraw/zinc/34/74/63/950347463.db2.gz IZDTZOFXUXNMNT-LBPRGKRZSA-N -1 0 332.425 3.632 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001589736591 950544768 /nfs/dbraw/zinc/54/47/68/950544768.db2.gz DWUQPZOYQQKIIF-UHFFFAOYSA-N -1 0 339.804 3.549 20 0 EHADRM Cc1cc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)c(F)cc1Br ZINC000312383481 950761942 /nfs/dbraw/zinc/76/19/42/950761942.db2.gz NNTLWKLYKONLRY-LLVKDONJSA-N -1 0 346.196 3.582 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1nc(C(C)C)cs1)CC(=O)[O-] ZINC000315858010 950857751 /nfs/dbraw/zinc/85/77/51/950857751.db2.gz GPVJJOKQUSISAV-NSHDSACASA-N -1 0 327.450 3.525 20 0 EHADRM O=C([O-])CC1(C(=O)NC[C@H]2CCCC[C@@H]2c2ccccc2)CCC1 ZINC001594974513 950906944 /nfs/dbraw/zinc/90/69/44/950906944.db2.gz QIKBIXQTKQDOBO-IAGOWNOFSA-N -1 0 329.440 3.722 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Nc1c(F)cccc1Cl ZINC000318639449 950932473 /nfs/dbraw/zinc/93/24/73/950932473.db2.gz RIYIHQFMLPAMJF-SNVBAGLBSA-N -1 0 328.771 3.730 20 0 EHADRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)c1ccccc1 ZINC000380544684 971704993 /nfs/dbraw/zinc/70/49/93/971704993.db2.gz WMAZWXUVMFTFGA-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM COc1ccc(Cl)cc1CN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000320719386 951000472 /nfs/dbraw/zinc/00/04/72/951000472.db2.gz AKUIKYJBVKNYFI-MRXNPFEDSA-N -1 0 331.799 3.533 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2csc3c2CC[C@H](C)C3)C1 ZINC000320952613 951007949 /nfs/dbraw/zinc/00/79/49/951007949.db2.gz UUSZTJQYKUNKBR-SGTLLEGYSA-N -1 0 335.469 3.590 20 0 EHADRM O=C([O-])CCC(=O)N1CCC(c2c(Cl)cccc2Cl)CC1 ZINC001594995695 951074629 /nfs/dbraw/zinc/07/46/29/951074629.db2.gz DZBCHHXGFHKISE-UHFFFAOYSA-N -1 0 330.211 3.564 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)Cc2ccc3ccccc3c2)Cc2ccccc21 ZINC000347372898 951133938 /nfs/dbraw/zinc/13/39/38/951133938.db2.gz QSECHVLQGHKBNU-HXUWFJFHSA-N -1 0 345.398 3.593 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000360832584 951135646 /nfs/dbraw/zinc/13/56/46/951135646.db2.gz LIPHSWKVNFMWSS-RNCFNFMXSA-N -1 0 332.227 3.712 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N3CCc4ccccc4[C@@H]3C(=O)[O-])cc2c1C ZINC000362683722 951135671 /nfs/dbraw/zinc/13/56/71/951135671.db2.gz MFNJEEZDGGKCFV-LJQANCHMSA-N -1 0 348.402 3.609 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N3CCc4ccccc4[C@H]3C(=O)[O-])cc2c1C ZINC000362683721 951136300 /nfs/dbraw/zinc/13/63/00/951136300.db2.gz MFNJEEZDGGKCFV-IBGZPJMESA-N -1 0 348.402 3.609 20 0 EHADRM Cc1cc(O[C@@H](C)C(=O)N2CCC(C)(C(=O)[O-])CC2)ccc1C(C)C ZINC000364186950 951137871 /nfs/dbraw/zinc/13/78/71/951137871.db2.gz ZFWSEPZLDHXHHN-HNNXBMFYSA-N -1 0 347.455 3.599 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)Nc2c(F)cc(Cl)cc2F)C1 ZINC001595015406 951280785 /nfs/dbraw/zinc/28/07/85/951280785.db2.gz AAMWMBDEGPOIIE-VIFPVBQESA-N -1 0 346.761 3.727 20 0 EHADRM O=C([O-])CC[C@@H]1Cc2ccccc2N(CC(=O)c2ccccc2F)C1 ZINC001595024723 951332786 /nfs/dbraw/zinc/33/27/86/951332786.db2.gz KCMNVAQIRPTDGH-CQSZACIVSA-N -1 0 341.382 3.552 20 0 EHADRM CCOc1ccccc1[C@@H](CC)NC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001593042841 951387612 /nfs/dbraw/zinc/38/76/12/951387612.db2.gz JMNGIFNFFPCKJM-NVXWUHKLSA-N -1 0 333.428 3.544 20 0 EHADRM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000391934371 951410000 /nfs/dbraw/zinc/41/00/00/951410000.db2.gz VVMXTUDBPNVTHE-LLVKDONJSA-N -1 0 330.306 3.580 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCCc2c[nH]c3ccccc23)ccc1O ZINC000392248498 951414815 /nfs/dbraw/zinc/41/48/15/951414815.db2.gz RZYQEHNGPQJTAT-UHFFFAOYSA-N -1 0 338.363 3.533 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000397075050 951515633 /nfs/dbraw/zinc/51/56/33/951515633.db2.gz DPCXLTWMKRVIGW-WDEREUQCSA-N -1 0 344.333 3.731 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)NCC2CCC(F)(F)CC2)c1 ZINC001595066052 951545801 /nfs/dbraw/zinc/54/58/01/951545801.db2.gz CAWCMBYFFXXSDI-UHFFFAOYSA-N -1 0 340.370 3.651 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CC2(CCCC2)c2cccc(Cl)c21 ZINC001595178040 952242232 /nfs/dbraw/zinc/24/22/32/952242232.db2.gz FORXNPLNMILOLR-VXGBXAGGSA-N -1 0 333.815 3.609 20 0 EHADRM O=C([O-])c1c(-c2ccsc2)csc1NC(=O)C1CCOCC1 ZINC001595207281 952337382 /nfs/dbraw/zinc/33/73/82/952337382.db2.gz VIILFTLFZMIALH-UHFFFAOYSA-N -1 0 337.422 3.540 20 0 EHADRM O=C([O-])c1ccc(-c2nc(-c3ccc(C(F)(F)F)s3)no2)cn1 ZINC001595214437 952367646 /nfs/dbraw/zinc/36/76/46/952367646.db2.gz JSJXXYKFDISZJL-UHFFFAOYSA-N -1 0 341.270 3.577 20 0 EHADRM Cc1cccc(Br)c1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000383265478 971859545 /nfs/dbraw/zinc/85/95/45/971859545.db2.gz DXYXWWHTIMOCIO-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM CC(C)(CCCc1ccccc1)CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001602938682 971904786 /nfs/dbraw/zinc/90/47/86/971904786.db2.gz QFUCZLRJNDKAIP-DLBZAZTESA-N -1 0 331.456 3.653 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)COCc1ccccc1 ZINC000384256476 971917517 /nfs/dbraw/zinc/91/75/17/971917517.db2.gz KNVMALGUFJBKPA-UHFFFAOYSA-N -1 0 335.359 3.693 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NCC[C@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC001589274408 953447347 /nfs/dbraw/zinc/44/73/47/953447347.db2.gz SQBMNMOSUSYDLY-FZKCQIBNSA-N -1 0 338.492 3.591 20 0 EHADRM CC(C)(CCNC(=O)Nc1ccccc1N1CCCCCC1)C(=O)[O-] ZINC000424473228 953491202 /nfs/dbraw/zinc/49/12/02/953491202.db2.gz QDTMMVADONAPQU-UHFFFAOYSA-N -1 0 347.459 3.689 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)[C@@H](Sc1ccc(F)cc1)c1ccccc1 ZINC000427737275 953496952 /nfs/dbraw/zinc/49/69/52/953496952.db2.gz RNXWKNUFHHGWBD-SJCJKPOMSA-N -1 0 347.411 3.639 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)NCCSCc1ccccc1F ZINC001594763179 953518865 /nfs/dbraw/zinc/51/88/65/953518865.db2.gz FEPHOQNVMCKSLE-UHFFFAOYSA-N -1 0 348.399 3.579 20 0 EHADRM CC[C@H](NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)[O-] ZINC001593620850 953526835 /nfs/dbraw/zinc/52/68/35/953526835.db2.gz JGNDWZMRCNSCGA-NSHDSACASA-N -1 0 341.285 3.558 20 0 EHADRM Cc1cc(NC(=O)C2(CC(=O)[O-])CCC2)cc(C)c1Br ZINC000518374825 953545565 /nfs/dbraw/zinc/54/55/65/953545565.db2.gz JIZJNUIXPCRIFS-UHFFFAOYSA-N -1 0 340.217 3.649 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C[C@H]1C(=O)[O-] ZINC000563143718 953596205 /nfs/dbraw/zinc/59/62/05/953596205.db2.gz ROPZXTCIOIDFGK-IONNQARKSA-N -1 0 349.189 3.707 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC001589291788 953609561 /nfs/dbraw/zinc/60/95/61/953609561.db2.gz TXKHVCYZRIZCCX-MWTISTBLSA-N -1 0 329.440 3.576 20 0 EHADRM CCc1ccc([C@H](NC(=O)NC[C@H](C(=O)[O-])C(C)C)C(C)C)cc1 ZINC001593636325 953611388 /nfs/dbraw/zinc/61/13/88/953611388.db2.gz CRKSJDCWMGIXHZ-DLBZAZTESA-N -1 0 334.460 3.602 20 0 EHADRM Cc1cc(C(=O)NCC2(C(=O)[O-])CCC2)sc1-c1ccccc1 ZINC000565725425 953616425 /nfs/dbraw/zinc/61/64/25/953616425.db2.gz GGIAEZZZYSPYBZ-UHFFFAOYSA-N -1 0 329.421 3.708 20 0 EHADRM CCc1ccc([C@@H]2CCCCCN2C(=O)NC[C@H](CC)C(=O)[O-])o1 ZINC001593637287 953616675 /nfs/dbraw/zinc/61/66/75/953616675.db2.gz RHNVSEPTBLNHMQ-ZFWWWQNUSA-N -1 0 336.432 3.580 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccc(-c3ccco3)cc2F)C[C@@H]1C(=O)[O-] ZINC000565716456 953616832 /nfs/dbraw/zinc/61/68/32/953616832.db2.gz FYJPNOQCPLEYPV-AAEUAGOBSA-N -1 0 346.358 3.660 20 0 EHADRM CCc1ccc(CN(CC(C)C)C(=O)NCC2(C(=O)[O-])CCC2)cc1 ZINC001593637858 953622807 /nfs/dbraw/zinc/62/28/07/953622807.db2.gz MPXVROJCFVPPPQ-UHFFFAOYSA-N -1 0 346.471 3.672 20 0 EHADRM CCc1ccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1Cl ZINC001593638704 953630670 /nfs/dbraw/zinc/63/06/70/953630670.db2.gz CFYUUCBBFLUTLP-MRXNPFEDSA-N -1 0 346.814 3.720 20 0 EHADRM CC(C)c1nc2cc(NC(=O)N3CC[C@@H](C)[C@@H](C(=O)[O-])C3)ccc2o1 ZINC000567883624 953638799 /nfs/dbraw/zinc/63/87/99/953638799.db2.gz CCVWLTFTWNRTIC-YPMHNXCESA-N -1 0 345.399 3.526 20 0 EHADRM Cc1nc2c(F)cccc2cc1C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000571459889 953661196 /nfs/dbraw/zinc/66/11/96/953661196.db2.gz FTEUMCQAHSPUJB-AWEZNQCLSA-N -1 0 344.386 3.542 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1cc(Cl)cc2cccnc21 ZINC000571865118 953663030 /nfs/dbraw/zinc/66/30/30/953663030.db2.gz XTDPALKZEYQJRM-UHFFFAOYSA-N -1 0 335.791 3.653 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000577078437 953692297 /nfs/dbraw/zinc/69/22/97/953692297.db2.gz UMEJJBHLOJYLGH-ZIAGYGMSSA-N -1 0 344.411 3.699 20 0 EHADRM Cc1cc(N2CCC(CCC(=O)[O-])CC2)nc(-c2cccs2)n1 ZINC000577399058 953693595 /nfs/dbraw/zinc/69/35/95/953693595.db2.gz HTKXFGLQUUCROF-UHFFFAOYSA-N -1 0 331.441 3.595 20 0 EHADRM O=C([O-])c1n[nH]cc1NC(=O)c1cc(-c2ccccc2)ccc1Cl ZINC001594798072 953715466 /nfs/dbraw/zinc/71/54/66/953715466.db2.gz AJPRJZOZSDTSQU-UHFFFAOYSA-N -1 0 341.754 3.681 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1csc(C2CCCCC2)n1 ZINC001589304212 953725077 /nfs/dbraw/zinc/72/50/77/953725077.db2.gz HHUQIYJYXBQOPX-AAEUAGOBSA-N -1 0 336.457 3.516 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1cc(Cl)ccc1F)c1ccc(F)cc1 ZINC001594801614 953741160 /nfs/dbraw/zinc/74/11/60/953741160.db2.gz IFPIFVLBETVBPR-CYBMUJFWSA-N -1 0 340.713 3.566 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1C(=O)N(C)CCCC(=O)[O-] ZINC000630101756 953835433 /nfs/dbraw/zinc/83/54/33/953835433.db2.gz MHKJFJCYBVKHNU-UHFFFAOYSA-N -1 0 327.380 3.724 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC001594812351 953842053 /nfs/dbraw/zinc/84/20/53/953842053.db2.gz YFTLMLDQABTEHD-AWEZNQCLSA-N -1 0 345.786 3.706 20 0 EHADRM CCn1cc(C(=O)Nc2scc(-c3ccsc3)c2C(=O)[O-])cn1 ZINC001593665850 953843156 /nfs/dbraw/zinc/84/31/56/953843156.db2.gz VPIHNTXDDJCMLN-UHFFFAOYSA-N -1 0 347.421 3.644 20 0 EHADRM O=C([O-])c1cccnc1NC(=O)c1cc(C(F)(F)F)ccc1Cl ZINC001594820842 953900206 /nfs/dbraw/zinc/90/02/06/953900206.db2.gz UOEJIKSXYVDNFD-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM C[C@H](C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)c1c(Cl)cccc1Cl ZINC000643434371 953909489 /nfs/dbraw/zinc/90/94/89/953909489.db2.gz TZWGSRNCVZTNCK-OUAUKWLOSA-N -1 0 344.238 3.666 20 0 EHADRM CC[C@@H](NC(=O)N1CCC(C)(C(=O)[O-])CC1)C(C)(C)c1ccccc1 ZINC000646150463 953929582 /nfs/dbraw/zinc/92/95/82/953929582.db2.gz AZQOEOVHIUJILU-MRXNPFEDSA-N -1 0 346.471 3.639 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1ccc(Cl)cc1Br ZINC000650502321 954018085 /nfs/dbraw/zinc/01/80/85/954018085.db2.gz VFUKLPVJCOQFBP-PRHODGIISA-N -1 0 332.625 3.540 20 0 EHADRM C[C@H]1CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])c2cc(Cl)ccc2S1 ZINC001589344369 954040335 /nfs/dbraw/zinc/04/03/35/954040335.db2.gz LRLGGEKRWUYUFI-ZMLRMANQSA-N -1 0 339.844 3.668 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1ccnc(Oc2ccccc2Cl)c1)C1CC1 ZINC001594838089 954046283 /nfs/dbraw/zinc/04/62/83/954046283.db2.gz VFIKQIPFTBWGAR-HNNXBMFYSA-N -1 0 346.770 3.577 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2ccc(OC3CCC3)c(F)c2)CC=CCC1 ZINC000653302162 954112602 /nfs/dbraw/zinc/11/26/02/954112602.db2.gz JNDUSAQUFAJAFT-GOSISDBHSA-N -1 0 333.359 3.507 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)Cc1csc2ccc(Cl)cc12 ZINC000653318791 954143034 /nfs/dbraw/zinc/14/30/34/954143034.db2.gz ZKTJHVGMCLCRHP-NOZJJQNGSA-N -1 0 337.828 3.561 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)C[C@@H]2CCc3ccccc3C2)c2ccccc21 ZINC000653330846 954159913 /nfs/dbraw/zinc/15/99/13/954159913.db2.gz KQGWXXNWAWAUDJ-UAOJZALGSA-N -1 0 349.430 3.611 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000653330191 954160188 /nfs/dbraw/zinc/16/01/88/954160188.db2.gz BJKWPPHMOGZMQG-AYOQOUSVSA-N -1 0 337.419 3.685 20 0 EHADRM C[C@]1(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)CCCc2ccccc21 ZINC000653335412 954168421 /nfs/dbraw/zinc/16/84/21/954168421.db2.gz OWNUESCQTKWOGA-JLMWRMLUSA-N -1 0 349.430 3.710 20 0 EHADRM C[C@H]1CCc2[nH]c3ccc(C(=O)NCCC(C)(C)C(=O)[O-])cc3c2C1 ZINC001589363553 954169786 /nfs/dbraw/zinc/16/97/86/954169786.db2.gz XIPXKJZGJXDYBI-LBPRGKRZSA-N -1 0 342.439 3.523 20 0 EHADRM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001589364350 954177569 /nfs/dbraw/zinc/17/75/69/954177569.db2.gz RFXJUKBXBRGCCL-CLCXKQKWSA-N -1 0 344.455 3.596 20 0 EHADRM CSc1ccc(NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000653535501 954182335 /nfs/dbraw/zinc/18/23/35/954182335.db2.gz UNDIYIUAJRVKTJ-LEWSCRJBSA-N -1 0 336.457 3.665 20 0 EHADRM O=C([O-])C1(C(=O)N2CCC[C@@H](CC(F)(F)F)C2)CCCCCC1 ZINC001594850811 954184561 /nfs/dbraw/zinc/18/45/61/954184561.db2.gz OZEFEFFYESDQMK-LBPRGKRZSA-N -1 0 335.366 3.603 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccc(C(F)F)cc1F ZINC000655540658 954197008 /nfs/dbraw/zinc/19/70/08/954197008.db2.gz IRYRHMOAWUYAJE-LLVKDONJSA-N -1 0 329.318 3.623 20 0 EHADRM CC(C)COc1cccc(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000655584408 954225706 /nfs/dbraw/zinc/22/57/06/954225706.db2.gz ZTXMDCDRGWNLQG-XOKHGSTOSA-N -1 0 347.455 3.587 20 0 EHADRM C[C@H](NC(=O)C1(Cc2ccccc2)CCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655584265 954226093 /nfs/dbraw/zinc/22/60/93/954226093.db2.gz HHLQTTVJZFOFEG-BHYGNILZSA-N -1 0 343.467 3.651 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc(-c2ccccc2Cl)o1)C1CCC1 ZINC000655595659 954233284 /nfs/dbraw/zinc/23/32/84/954233284.db2.gz WDRZABFMTYSAAG-UHFFFAOYSA-N -1 0 333.771 3.679 20 0 EHADRM Cc1ccc([C@H]2CCCCCN2C(=O)NC[C@@H](C(=O)[O-])C(C)C)o1 ZINC000655894045 954275300 /nfs/dbraw/zinc/27/53/00/954275300.db2.gz UVSCMWDKUGCIHA-HUUCEWRRSA-N -1 0 336.432 3.572 20 0 EHADRM C[C@H](NC(=O)C1(C(=O)[O-])CC=CC1)c1cc(F)c(Cl)cc1Cl ZINC000656848646 954306966 /nfs/dbraw/zinc/30/69/66/954306966.db2.gz PNDHETGZYUODKQ-QMMMGPOBSA-N -1 0 346.185 3.731 20 0 EHADRM COc1c(Cl)cc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc1Cl ZINC000656851617 954308138 /nfs/dbraw/zinc/30/81/38/954308138.db2.gz DEWQQMFEGDRWMI-JTQLQIEISA-N -1 0 334.199 3.687 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cc3cc(Cl)ccc3s2)C1 ZINC000659764816 954365242 /nfs/dbraw/zinc/36/52/42/954365242.db2.gz NPKJJJWCTXZYKX-GXSJLCMTSA-N -1 0 337.828 3.738 20 0 EHADRM O=C([O-])C1(C(=O)Nc2nc(/C=C/c3ccccc3)cs2)CCC1 ZINC001594872747 954366408 /nfs/dbraw/zinc/36/64/08/954366408.db2.gz WZMBJBAMAUVEJH-BQYQJAHWSA-N -1 0 328.393 3.507 20 0 EHADRM Cc1csc(-c2cccc(C(=O)N(CC(=O)[O-])CC(C)(C)C)c2)n1 ZINC000659781240 954371706 /nfs/dbraw/zinc/37/17/06/954371706.db2.gz FIUFFCDOMAGPHL-UHFFFAOYSA-N -1 0 346.452 3.691 20 0 EHADRM Cc1cccn2cc(-c3ccc(NC(=O)C4(C(=O)[O-])CCC4)cc3)nc12 ZINC000663062146 954433050 /nfs/dbraw/zinc/43/30/50/954433050.db2.gz JZWHQJPJGAITIM-UHFFFAOYSA-N -1 0 349.390 3.503 20 0 EHADRM C[C@H]1Cc2c(C(=O)[O-])c(NC(=O)C3(CCF)CC3)sc2[C@H](C)O1 ZINC001589410339 954509186 /nfs/dbraw/zinc/50/91/86/954509186.db2.gz BZJJGZZXLGJNOQ-IUCAKERBSA-N -1 0 341.404 3.547 20 0 EHADRM CC(C)[C@@H]1C[C@H]1C(=O)Nc1sc2c(c1C(=O)[O-])C[C@@H](C)O[C@H]2C ZINC001589411045 954515873 /nfs/dbraw/zinc/51/58/73/954515873.db2.gz MTQIDOVJOSKTGQ-VPOLOUISSA-N -1 0 337.441 3.699 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccccc1N1CCCC1)CC(=O)[O-] ZINC000663341656 954536887 /nfs/dbraw/zinc/53/68/87/954536887.db2.gz PLMLYEWJLFFJLK-HNNXBMFYSA-N -1 0 347.459 3.545 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)NCCCCC(=O)[O-])c1ccc(F)cc1F ZINC000666536106 954551036 /nfs/dbraw/zinc/55/10/36/954551036.db2.gz HPOVPYLWDXHHLI-HNNXBMFYSA-N -1 0 342.386 3.606 20 0 EHADRM Cc1c(C(=O)N2CCCC[C@H]2CC(=O)[O-])cccc1-c1ccccn1 ZINC000683325408 954604322 /nfs/dbraw/zinc/60/43/22/954604322.db2.gz UAUPRIXGJQTRDC-HNNXBMFYSA-N -1 0 338.407 3.526 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)C(=O)c1cc(Cl)ccc1OC1CCCC1 ZINC001589435118 954681371 /nfs/dbraw/zinc/68/13/71/954681371.db2.gz CAJTWFKIXZNIKF-CQSZACIVSA-N -1 0 339.819 3.597 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)C2)c2ccccc21 ZINC001594914552 954731462 /nfs/dbraw/zinc/73/14/62/954731462.db2.gz KLVSDNOFENQBIF-GMXVVIOVSA-N -1 0 341.329 3.570 20 0 EHADRM CC[C@@H](C(=O)[O-])N1CCCc2cc(NC(=O)OC(C)(C)C)ccc21 ZINC001589447310 954774881 /nfs/dbraw/zinc/77/48/81/954774881.db2.gz WUTTXBMSDGTIDQ-AWEZNQCLSA-N -1 0 334.416 3.649 20 0 EHADRM CCC(C)(C)C1CCC(NC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)CC1 ZINC001589448195 954784360 /nfs/dbraw/zinc/78/43/60/954784360.db2.gz XXNZCRGOEZZOFU-WXLSXGNJSA-N -1 0 338.492 3.734 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)CCCc2ccsc2)c2ccccc21 ZINC001594919399 954797303 /nfs/dbraw/zinc/79/73/03/954797303.db2.gz WXXGNSXWYIQVAL-HNNXBMFYSA-N -1 0 329.421 3.676 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001589463675 954878501 /nfs/dbraw/zinc/87/85/01/954878501.db2.gz ITSXNJLGUJIJHD-YXVBKTCISA-N -1 0 340.379 3.609 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)/C(F)=C\C2CCCCC2)Cc2ccccc21 ZINC001594941369 954897291 /nfs/dbraw/zinc/89/72/91/954897291.db2.gz IYLQYVBOOGVLJL-FCNRDGCESA-N -1 0 331.387 3.631 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(C)c(Br)c1 ZINC001589478036 954965817 /nfs/dbraw/zinc/96/58/17/954965817.db2.gz WVGUQZKANQCWHV-UHFFFAOYSA-N -1 0 328.206 3.587 20 0 EHADRM CC(C)C[C@H](CNC(=O)NC(C)(C)c1cccc(Cl)c1)C(=O)[O-] ZINC001603009166 972060330 /nfs/dbraw/zinc/06/03/30/972060330.db2.gz WSCYGFGOSQYTFT-GFCCVEGCSA-N -1 0 340.851 3.621 20 0 EHADRM CCC(CC)n1ccc(C(=O)N2CCCc3cc(C(=O)[O-])ccc32)n1 ZINC001589513007 955055718 /nfs/dbraw/zinc/05/57/18/955055718.db2.gz ZMFWYHQADLLDNX-UHFFFAOYSA-N -1 0 341.411 3.535 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)O[C@H](c2ccccc2)c2ccccn2)co1 ZINC001594969913 955098914 /nfs/dbraw/zinc/09/89/14/955098914.db2.gz AAJKKAGVTGFUAN-ZBTAVZRMSA-N -1 0 349.342 3.719 20 0 EHADRM Cc1oc(-c2ccccc2)c(C(=O)N(CC(=O)[O-])CC2CC2)c1C ZINC001594504738 955350487 /nfs/dbraw/zinc/35/04/87/955350487.db2.gz LPKQRBLATGGNEU-UHFFFAOYSA-N -1 0 327.380 3.500 20 0 EHADRM Cn1c2ccccc2c2cc(C(=O)NC3(C(=O)[O-])CCCC3)sc21 ZINC001594523475 955476018 /nfs/dbraw/zinc/47/60/18/955476018.db2.gz IHBXRQYKGNXZBV-UHFFFAOYSA-N -1 0 342.420 3.520 20 0 EHADRM C[C@](CNC(=O)/C=C\C1CCCCCC1)(C(=O)[O-])c1ccccc1 ZINC001589045123 955623064 /nfs/dbraw/zinc/62/30/64/955623064.db2.gz WAEIPRQSNKRFTC-CLEWGBKMSA-N -1 0 329.440 3.672 20 0 EHADRM CC(C)(CNC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)C1CCCC1 ZINC001589051879 955670291 /nfs/dbraw/zinc/67/02/91/955670291.db2.gz KJEHZHYVNUDBFI-FQEVSTJZSA-N -1 0 346.471 3.545 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)CC=CCC1 ZINC000846708907 955714526 /nfs/dbraw/zinc/71/45/26/955714526.db2.gz LZXVPHCNWUMCEZ-GOSISDBHSA-N -1 0 348.830 3.690 20 0 EHADRM C/C(=C\C(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-])c1ccccc1C(F)(F)F ZINC000846713473 955721466 /nfs/dbraw/zinc/72/14/66/955721466.db2.gz PHYRMOLBCASGOW-YCNBAEJOSA-N -1 0 341.329 3.573 20 0 EHADRM CC(C)COc1ccccc1C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848454632 955745647 /nfs/dbraw/zinc/74/56/47/955745647.db2.gz RANYXPFDCICFKQ-CWRNSKLLSA-N -1 0 347.455 3.587 20 0 EHADRM C[C@H](CSc1ccccc1)N(C)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001589077084 955830987 /nfs/dbraw/zinc/83/09/87/955830987.db2.gz PVJAYJPFMUNQJL-PRWOLLLXSA-N -1 0 345.420 3.630 20 0 EHADRM CC(F)(F)c1c(F)cccc1NC(=O)NCCCCCC(=O)[O-] ZINC001589085206 955895529 /nfs/dbraw/zinc/89/55/29/955895529.db2.gz QWWNWDJZJFZRLK-UHFFFAOYSA-N -1 0 332.322 3.704 20 0 EHADRM CCN(C(=O)/C=C/c1ccc(C(=O)[O-])o1)[C@@H](C)c1cccc(OC)c1 ZINC000864104991 955934593 /nfs/dbraw/zinc/93/45/93/955934593.db2.gz YEIOPFLUDUAJJR-STRFDMGBSA-N -1 0 343.379 3.609 20 0 EHADRM C[C@@H]1CN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)CC[C@H]1c1ccccc1 ZINC000864113947 955941596 /nfs/dbraw/zinc/94/15/96/955941596.db2.gz YCWCTPDBUZEXDL-HQKWHGAHSA-N -1 0 339.391 3.643 20 0 EHADRM CC(C)Oc1ccccc1[C@H](C)NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000864124709 955952400 /nfs/dbraw/zinc/95/24/00/955952400.db2.gz FZCNRVMKHCVRHI-STRFDMGBSA-N -1 0 343.379 3.656 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)/C=C\c1csc(C(F)(F)F)c1 ZINC000864133535 955957609 /nfs/dbraw/zinc/95/76/09/955957609.db2.gz RSOOLJHNBUKKMG-WYGGZMRJSA-N -1 0 347.358 3.636 20 0 EHADRM C[C@@H]1CN(C(=O)Cc2cc(Cl)cc3ccccc32)CC[C@H]1C(=O)[O-] ZINC000864140885 955962655 /nfs/dbraw/zinc/96/26/55/955962655.db2.gz SMHXEUDWHCSGFG-MLGOLLRUSA-N -1 0 345.826 3.605 20 0 EHADRM CCCOc1ccc(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1C ZINC000864604364 956005267 /nfs/dbraw/zinc/00/52/67/956005267.db2.gz CQKFPNWWRXOKTQ-CQSZACIVSA-N -1 0 334.416 3.502 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C(C)(C)C)nc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589108210 956041053 /nfs/dbraw/zinc/04/10/53/956041053.db2.gz IELXXEKBUYUOGX-KWCYVHTRSA-N -1 0 347.459 3.636 20 0 EHADRM C[C@H](NC(=O)c1ccc(OC(C)(C)C)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589117927 956106506 /nfs/dbraw/zinc/10/65/06/956106506.db2.gz SBCPWARHUNTOSP-VBNZEHGJSA-N -1 0 347.455 3.729 20 0 EHADRM Cc1cccc(C(=O)Nc2nc(CCCC(=O)[O-])cs2)c1Cl ZINC000388335085 972166460 /nfs/dbraw/zinc/16/64/60/972166460.db2.gz GUOAAFRTGFLKFG-UHFFFAOYSA-N -1 0 338.816 3.765 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000898868879 956274673 /nfs/dbraw/zinc/27/46/73/956274673.db2.gz FTHZJEKBVJLTSZ-SFHVURJKSA-N -1 0 346.471 3.540 20 0 EHADRM COc1c(Cl)cccc1NC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000899310970 956280275 /nfs/dbraw/zinc/28/02/75/956280275.db2.gz KFLRXZFETOOGEQ-NSHDSACASA-N -1 0 340.807 3.600 20 0 EHADRM CC(C)c1scnc1NC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000899313185 956284159 /nfs/dbraw/zinc/28/41/59/956284159.db2.gz GZZCQFMGMAWBTR-LLVKDONJSA-N -1 0 325.434 3.518 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1cc(-c2cccnc2)ccc1C)C(=O)[O-] ZINC000900347244 956296329 /nfs/dbraw/zinc/29/63/29/956296329.db2.gz WDYKKIPKIWHWOC-SJCJKPOMSA-N -1 0 341.411 3.678 20 0 EHADRM CC(C)c1ccc(C[C@H]2CCN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)C2)cc1 ZINC001603100595 972176876 /nfs/dbraw/zinc/17/68/76/972176876.db2.gz WBAWJGJRRWESKS-NZSAHSFTSA-N -1 0 343.467 3.702 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)c2sc3cccc(F)c3c2Cl)C1 ZINC000901573714 956345850 /nfs/dbraw/zinc/34/58/50/956345850.db2.gz DLOJVMNEYSZVEQ-HNNXBMFYSA-N -1 0 341.791 3.631 20 0 EHADRM COC[C@@H](C)N(C(=O)CCCCC(=O)[O-])c1cc(Cl)ccc1C ZINC001593955980 956424271 /nfs/dbraw/zinc/42/42/71/956424271.db2.gz FEPITISKWKYCFL-CYBMUJFWSA-N -1 0 341.835 3.661 20 0 EHADRM COC[C@H](NC(=O)Nc1ccccc1C(=O)[O-])c1cccc(Cl)c1 ZINC001593956764 956436915 /nfs/dbraw/zinc/43/69/15/956436915.db2.gz BSOMCCUCXZJLND-HNNXBMFYSA-N -1 0 348.786 3.547 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)C1(C(=O)[O-])CC=CC1 ZINC001589174355 956477993 /nfs/dbraw/zinc/47/79/93/956477993.db2.gz AJHYVWHTQOGUIH-QWHCGFSZSA-N -1 0 335.831 3.711 20 0 EHADRM C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001589174767 956484941 /nfs/dbraw/zinc/48/49/41/956484941.db2.gz HCXUTMJVVDRPQG-ZDUSSCGKSA-N -1 0 342.395 3.634 20 0 EHADRM C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001589174880 956486722 /nfs/dbraw/zinc/48/67/22/956486722.db2.gz SJHNCSVCUXUHAO-ZDUSSCGKSA-N -1 0 349.390 3.608 20 0 EHADRM O=C(/C=C\c1ccc(C(=O)[O-])o1)O[C@H](c1ccccc1)c1ccccn1 ZINC001594675340 956654526 /nfs/dbraw/zinc/65/45/26/956654526.db2.gz XBBFSDFIIWSPOG-LEVJEWGPSA-N -1 0 349.342 3.719 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)/C=C\c1ccsc1C(F)(F)F ZINC001594675521 956657121 /nfs/dbraw/zinc/65/71/21/956657121.db2.gz XOXIJQOXTQBYMC-ARJAWSKDSA-N -1 0 342.298 3.512 20 0 EHADRM O=C([O-])c1cc(NC(=O)CC2(CSc3ccccc3)CC2)ccn1 ZINC001594676093 956665523 /nfs/dbraw/zinc/66/55/23/956665523.db2.gz WMLVBHWBMFJGRF-UHFFFAOYSA-N -1 0 342.420 3.681 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2Cl)CC[C@H]1C(=O)[O-] ZINC000902175470 956676234 /nfs/dbraw/zinc/67/62/34/956676234.db2.gz DYBFJYUFGSFNQK-WCBMZHEXSA-N -1 0 349.736 3.542 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)NCCc1ccc(-c2ccccc2)cc1 ZINC001589217468 956735252 /nfs/dbraw/zinc/73/52/52/956735252.db2.gz LGYGXHOBYQXZBN-OAQYLSRUSA-N -1 0 337.419 3.513 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(-c2nc(C)c(C)[nH]2)cc1 ZINC000902698657 956773376 /nfs/dbraw/zinc/77/33/76/956773376.db2.gz QHEQOECJEZFPMH-UHFFFAOYSA-N -1 0 329.400 3.523 20 0 EHADRM CC1(C)CCC[C@@H]1[C@H]1CCN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)C1 ZINC001589226141 956796793 /nfs/dbraw/zinc/79/67/93/956796793.db2.gz ZWRBFRXHYKAWDE-FZSTZKMBSA-N -1 0 331.412 3.666 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)Nc1csc(-c2ccccc2)n1 ZINC001594710513 956878256 /nfs/dbraw/zinc/87/82/56/956878256.db2.gz YTLCKQBKQXSMRY-UHFFFAOYSA-N -1 0 338.388 3.690 20 0 EHADRM CCc1ccc(NC(=O)COc2ccc(Cl)cc2C(=O)[O-])cc1 ZINC000013083506 956932280 /nfs/dbraw/zinc/93/22/80/956932280.db2.gz DSQFRESUYKNURZ-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM Cc1cc(C)c(NC(=O)COc2ccc(C(=O)[O-])cc2Cl)c(C)c1 ZINC000013084911 956933507 /nfs/dbraw/zinc/93/35/07/956933507.db2.gz UISBEPOTKFUMFU-UHFFFAOYSA-N -1 0 347.798 3.981 20 0 EHADRM Cc1ccc(S(=O)(=O)Oc2cc3ccccc3cc2C(=O)[O-])s1 ZINC000013087184 956938869 /nfs/dbraw/zinc/93/88/69/956938869.db2.gz ASDLYHLDJFGSLQ-UHFFFAOYSA-N -1 0 348.401 3.676 20 0 EHADRM COc1ccccc1CC(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000013171652 956955214 /nfs/dbraw/zinc/95/52/14/956955214.db2.gz NTTOVEZGWQJGEZ-UHFFFAOYSA-N -1 0 335.359 3.728 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCSc1ccccc1)c1ccc(F)cc1 ZINC000013176549 956956909 /nfs/dbraw/zinc/95/69/09/956956909.db2.gz ILUNARDWVHEPPH-MRXNPFEDSA-N -1 0 347.411 3.640 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)Cc2c(F)cccc2Cl)cc1 ZINC000013178967 956960830 /nfs/dbraw/zinc/96/08/30/956960830.db2.gz LAHPLFUIRWYUFF-INIZCTEOSA-N -1 0 349.789 3.662 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)CCSc2ccccc2)cc1 ZINC000013179454 956962861 /nfs/dbraw/zinc/96/28/61/956962861.db2.gz AHCSIOJJWZJCBL-QGZVFWFLSA-N -1 0 343.448 3.809 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc3c(s2)CCCC3)cc1 ZINC000013180074 956963749 /nfs/dbraw/zinc/96/37/49/956963749.db2.gz SLYRWEZCFULUNR-OAHLLOKOSA-N -1 0 343.448 3.881 20 0 EHADRM Cc1ccc(SCC(=O)N[C@@H](CC(=O)[O-])c2ccc(C)cc2)cc1 ZINC000013180919 956966878 /nfs/dbraw/zinc/96/68/78/956966878.db2.gz JEQOSRLAEMBILK-KRWDZBQOSA-N -1 0 343.448 3.728 20 0 EHADRM O=C([O-])C1(NC(=O)c2cc(-n3cccc3)ccc2Cl)CCCCC1 ZINC001594721410 956972003 /nfs/dbraw/zinc/97/20/03/956972003.db2.gz RXJOBWAXVVVVRI-UHFFFAOYSA-N -1 0 346.814 3.648 20 0 EHADRM O=C([O-])c1ccc(CSc2nnc3sc4ccccc4n23)cc1 ZINC000013236876 956987388 /nfs/dbraw/zinc/98/73/88/956987388.db2.gz SJXOMAKJSVIHOL-UHFFFAOYSA-N -1 0 341.417 3.935 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)COc1cc(C(=O)[O-])ccc1C ZINC000013248412 956990795 /nfs/dbraw/zinc/99/07/95/956990795.db2.gz LLNSCSJELZVYOG-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM CCc1cccc(C)c1NC(=O)COc1cc(C(=O)[O-])ccc1C ZINC000013248721 956991887 /nfs/dbraw/zinc/99/18/87/956991887.db2.gz DNUFARNKTRCVDB-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(Br)cc2F)cc1 ZINC000013259797 956998548 /nfs/dbraw/zinc/99/85/48/956998548.db2.gz QIGQQJLPGGSSMB-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM CC(C)C[C@H](CNC(=O)C[C@@H](c1ccc(O)cc1)C1CC1)CC(=O)[O-] ZINC000909875814 957039059 /nfs/dbraw/zinc/03/90/59/957039059.db2.gz RNAAPLSLRYDMHL-KBXCAEBGSA-N -1 0 347.455 3.529 20 0 EHADRM Cc1ccc(C)c(OCCC(=O)Nc2ccc(C(=O)[O-])cc2C)c1 ZINC000013391268 957047950 /nfs/dbraw/zinc/04/79/50/957047950.db2.gz WIEHKVQHCTUIOE-UHFFFAOYSA-N -1 0 327.380 3.718 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)COc1ccc(C(=O)[O-])cc1 ZINC000013412263 957054029 /nfs/dbraw/zinc/05/40/29/957054029.db2.gz YGYNZOXIMLCHDY-UHFFFAOYSA-N -1 0 327.380 3.834 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)c1ccc2c(c1)CCCC2 ZINC000013429236 957069512 /nfs/dbraw/zinc/06/95/12/957069512.db2.gz MQHGHHOSYLPQLB-UHFFFAOYSA-N -1 0 337.419 3.683 20 0 EHADRM CN(C(=O)COc1ccc2ccccc2c1)c1ccccc1C(=O)[O-] ZINC000013441392 957081783 /nfs/dbraw/zinc/08/17/83/957081783.db2.gz CIFDIMZGRYPHJK-UHFFFAOYSA-N -1 0 335.359 3.580 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000019815740 957120771 /nfs/dbraw/zinc/12/07/71/957120771.db2.gz XNTUGWRGWHTLHQ-ZDUSSCGKSA-N -1 0 327.380 3.916 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)[C@@H]2CCC[C@@H](F)C2)CC1 ZINC001118061314 957157932 /nfs/dbraw/zinc/15/79/32/957157932.db2.gz SQJUMWOOOYWDHS-HUUCEWRRSA-N -1 0 333.403 3.619 20 0 EHADRM CC(C)[C@H](CNC(=O)N[C@H](C)c1csc2ccccc21)C(=O)[O-] ZINC001263066735 957288313 /nfs/dbraw/zinc/28/83/13/957288313.db2.gz SRTZMLPDCOGSCL-YPMHNXCESA-N -1 0 334.441 3.618 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@H](C)Sc1ccc(Cl)cc1 ZINC000037589917 957312052 /nfs/dbraw/zinc/31/20/52/957312052.db2.gz XIYSWDFYMJVAPG-QWRGUYRKSA-N -1 0 329.849 3.532 20 0 EHADRM CC(C)(CCNC(=O)N1C[C@@H]2CCCC[C@]21c1ccccc1)C(=O)[O-] ZINC001326584437 957326547 /nfs/dbraw/zinc/32/65/47/957326547.db2.gz WSEMVVOTCHCMGD-JXFKEZNVSA-N -1 0 344.455 3.598 20 0 EHADRM Cc1ccc(NC(=O)N[C@H]2CCCc3sccc32)cc1C(=O)[O-] ZINC000390014878 972261072 /nfs/dbraw/zinc/26/10/72/972261072.db2.gz PTAWJBBEVFSNEY-AWEZNQCLSA-N -1 0 330.409 3.954 20 0 EHADRM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000390100893 972264867 /nfs/dbraw/zinc/26/48/67/972264867.db2.gz YOZCIBLGIMYDQU-NSHDSACASA-N -1 0 326.824 3.543 20 0 EHADRM CCCCCC(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC000054231584 957523893 /nfs/dbraw/zinc/52/38/93/957523893.db2.gz AUFKQQVGRCPKBG-UHFFFAOYSA-N -1 0 332.425 3.956 20 0 EHADRM O=C([O-])c1ccc2ccccc2c1OC[C@H]1COc2ccccc2O1 ZINC000059687701 957563556 /nfs/dbraw/zinc/56/35/56/957563556.db2.gz LQTACIZMLNERSL-CQSZACIVSA-N -1 0 336.343 3.757 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)Oc1ccc(C(=O)[O-])cc1 ZINC000066144495 957643062 /nfs/dbraw/zinc/64/30/62/957643062.db2.gz QWSXEDLZROHPFA-CYBMUJFWSA-N -1 0 328.364 3.883 20 0 EHADRM C[C@@](CNC(=O)Nc1ccc(C2CC2)cc1)(C(=O)[O-])c1ccccc1 ZINC001603183626 972283011 /nfs/dbraw/zinc/28/30/11/972283011.db2.gz LEDUCVORMMUYHM-FQEVSTJZSA-N -1 0 338.407 3.728 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc2nc(C)c(C)nc2c1 ZINC000074591616 957738605 /nfs/dbraw/zinc/73/86/05/957738605.db2.gz OUIQFNQERCYGTO-UHFFFAOYSA-N -1 0 335.363 3.506 20 0 EHADRM CC(C)C[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000075240430 957740689 /nfs/dbraw/zinc/74/06/89/957740689.db2.gz GUCMRLVJGJWZGO-IBGZPJMESA-N -1 0 339.435 3.824 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@H](Cc2ccccc2)C(C)C)c1 ZINC001594285823 957778463 /nfs/dbraw/zinc/77/84/63/957778463.db2.gz KJEGJEKWQBVADO-GOSISDBHSA-N -1 0 325.408 3.690 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCSc3cc(Cl)ccc32)nc1 ZINC001574791082 957810113 /nfs/dbraw/zinc/81/01/13/957810113.db2.gz HZXDUIBJFAWJOF-UHFFFAOYSA-N -1 0 348.811 3.576 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2ccc(Cl)c(Cl)n2)c1 ZINC001594289406 957813358 /nfs/dbraw/zinc/81/33/58/957813358.db2.gz VQUBWEYHDCRUHO-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM O=C([O-])c1ccc(Br)c(NC(=O)[C@@H]2C[C@H]2C2CCC2)c1 ZINC001574791330 957814101 /nfs/dbraw/zinc/81/41/01/957814101.db2.gz WMYUGPYNKDPQII-WDEREUQCSA-N -1 0 338.201 3.522 20 0 EHADRM Cc1cc(C(F)(F)F)cc(C)c1NC(=O)N[C@@H](C(=O)[O-])C(C)C ZINC001594289940 957823377 /nfs/dbraw/zinc/82/33/77/957823377.db2.gz MDTIUXAPVGBLHQ-LLVKDONJSA-N -1 0 332.322 3.553 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H](c2ccccc2F)C2CCCC2)nc1 ZINC001574796655 957824685 /nfs/dbraw/zinc/82/46/85/957824685.db2.gz SPUGOSVRCNJUQM-QGZVFWFLSA-N -1 0 342.370 3.580 20 0 EHADRM Cc1cc(C)c(C(=O)Nc2cc(C(=O)[O-])ccc2Br)o1 ZINC001594293565 957843843 /nfs/dbraw/zinc/84/38/43/957843843.db2.gz IKYSPZPBQGSOGE-UHFFFAOYSA-N -1 0 338.157 3.609 20 0 EHADRM Cc1cc(C)cc(C2CCN(C(=O)NC[C@@H](C(=O)[O-])C(C)C)CC2)c1 ZINC001594295122 957870645 /nfs/dbraw/zinc/87/06/45/957870645.db2.gz VRIDAVYSSZJNDN-GOSISDBHSA-N -1 0 346.471 3.549 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)N(CC2CC2)CC2CCC2)c2ccccc21 ZINC001340586592 957943907 /nfs/dbraw/zinc/94/39/07/957943907.db2.gz YCNXDNYMQSLREH-QZTJIDSGSA-N -1 0 342.439 3.521 20 0 EHADRM Cc1c(C(=O)N2CCCC[C@@H]2CC(=O)[O-])sc2cccc(F)c12 ZINC000391020916 972312575 /nfs/dbraw/zinc/31/25/75/972312575.db2.gz PMUAXNYUYSSYHC-LLVKDONJSA-N -1 0 335.400 3.818 20 0 EHADRM Cc1ccc([C@H](NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)C2CC2)cc1 ZINC001341226115 957948961 /nfs/dbraw/zinc/94/89/61/957948961.db2.gz PETZGNXLUBAKBB-BEFAXECRSA-N -1 0 344.455 3.733 20 0 EHADRM Cc1cc(F)ccc1NCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001594310085 958002129 /nfs/dbraw/zinc/00/21/29/958002129.db2.gz AWILSWCLBGYQFG-ZDUSSCGKSA-N -1 0 332.375 3.640 20 0 EHADRM Cc1cc(F)ccc1[C@H]1CCCN1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001594310935 958017668 /nfs/dbraw/zinc/01/76/68/958017668.db2.gz HUKFXGXBGLHOII-OAHLLOKOSA-N -1 0 343.358 3.596 20 0 EHADRM COc1cc(Cl)c(CNc2cccc(CC(=O)[O-])c2)cc1OC ZINC001594058737 958067741 /nfs/dbraw/zinc/06/77/41/958067741.db2.gz DXNDVUWGSDUUBO-UHFFFAOYSA-N -1 0 335.787 3.596 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C[C@@H]1C ZINC000391130922 972319250 /nfs/dbraw/zinc/31/92/50/972319250.db2.gz CGIKDSJGOPTLMH-UTLUCORTSA-N -1 0 326.343 3.609 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC001603207558 972318524 /nfs/dbraw/zinc/31/85/24/972318524.db2.gz XXHFGBMFCWQWHL-YJYMSZOUSA-N -1 0 345.826 3.635 20 0 EHADRM Cc1cc(NC(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)sn1 ZINC001594318051 958092954 /nfs/dbraw/zinc/09/29/54/958092954.db2.gz XSVXJMQACQOPTA-UHFFFAOYSA-N -1 0 345.424 3.561 20 0 EHADRM Cc1cc(NC(=O)NC[C@@H]2CCC3(CCCCC3)O2)ccc1C(=O)[O-] ZINC001594319657 958113821 /nfs/dbraw/zinc/11/38/21/958113821.db2.gz LAHYIYQRAWKPKW-HNNXBMFYSA-N -1 0 346.427 3.697 20 0 EHADRM Cc1cc(N[C@@H](CCC(C)(C)C)C(=O)[O-])nc(-c2ccccn2)n1 ZINC001594325697 958169318 /nfs/dbraw/zinc/16/93/18/958169318.db2.gz AHHJXONDRCYHDB-AWEZNQCLSA-N -1 0 328.416 3.538 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)NCc2csc3ccccc23)C1 ZINC001356608452 958177488 /nfs/dbraw/zinc/17/74/88/958177488.db2.gz OUJPCMLZGNEDAU-CYBMUJFWSA-N -1 0 346.452 3.688 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C(=O)[O-])ccc1C(C)C ZINC001594326837 958180135 /nfs/dbraw/zinc/18/01/35/958180135.db2.gz KCZGKIXTRAWFKZ-IIDMSEBBSA-N -1 0 347.455 3.740 20 0 EHADRM CC(C)C[C@@H](CNC(=O)c1cc2c(s1)CCCCCC2)C(=O)[O-] ZINC000391322549 972328937 /nfs/dbraw/zinc/32/89/37/972328937.db2.gz GDIRXEFIDJIIJF-AWEZNQCLSA-N -1 0 337.485 3.884 20 0 EHADRM Cc1cc2ccccc2nc1C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001594332316 958237947 /nfs/dbraw/zinc/23/79/47/958237947.db2.gz RBNVQTHZOXICEA-FUHWJXTLSA-N -1 0 346.386 3.586 20 0 EHADRM Cc1ccc(-c2cc(C(=O)Nc3cccc(CC(=O)[O-])c3)n[nH]2)cc1C ZINC001594334535 958254695 /nfs/dbraw/zinc/25/46/95/958254695.db2.gz YPYOLGYLFYDVQI-UHFFFAOYSA-N -1 0 349.390 3.573 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1ccc(Cl)c(Br)c1 ZINC000094667734 958299497 /nfs/dbraw/zinc/29/94/97/958299497.db2.gz UXMBYFSYUAZVHR-UHFFFAOYSA-N -1 0 334.597 3.686 20 0 EHADRM Cc1ccc(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1Cl ZINC001594346513 958322749 /nfs/dbraw/zinc/32/27/49/958322749.db2.gz VPWMLZJEWROICD-HOCLYGCPSA-N -1 0 329.783 3.691 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NCCc1cccc(Cl)c1 ZINC000096713691 958339673 /nfs/dbraw/zinc/33/96/73/958339673.db2.gz ZXHAPFIJABSFCN-UHFFFAOYSA-N -1 0 332.787 3.711 20 0 EHADRM Cc1ccc(C(C)C)c(OCCC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC001594350213 958344229 /nfs/dbraw/zinc/34/42/29/958344229.db2.gz WJTIROXHQPOXGQ-JKSUJKDBSA-N -1 0 347.455 3.599 20 0 EHADRM Cc1ccc(C)c(C(=O)CCC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC001594351769 958365179 /nfs/dbraw/zinc/36/51/79/958365179.db2.gz XOCCJPNKRQMXAY-MRXNPFEDSA-N -1 0 347.455 3.662 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)CSc1ccc2c(c1)CCC2 ZINC000391503897 972341692 /nfs/dbraw/zinc/34/16/92/972341692.db2.gz JIHOGTCKBBGIGK-UHFFFAOYSA-N -1 0 347.461 3.974 20 0 EHADRM Cc1ccc(C[C@H]2CCCN(C(=O)[C@@H](C(=O)[O-])C(C)(C)C)C2)cc1 ZINC001594354805 958403571 /nfs/dbraw/zinc/40/35/71/958403571.db2.gz HIJDVOWFCUSUAP-SJORKVTESA-N -1 0 331.456 3.523 20 0 EHADRM Cc1ccc(CC2CCN(C(=O)[C@@H](C(=O)[O-])C(C)(C)C)CC2)cc1 ZINC001594355590 958413903 /nfs/dbraw/zinc/41/39/03/958413903.db2.gz LPDJDBLBANQVRI-KRWDZBQOSA-N -1 0 331.456 3.523 20 0 EHADRM COc1cc(C2(C(=O)Nc3cc(C(=O)[O-])ccc3C)CC2)ccc1C ZINC000120197161 958469862 /nfs/dbraw/zinc/46/98/62/958469862.db2.gz GBYBMOMJJFNSCA-UHFFFAOYSA-N -1 0 339.391 3.681 20 0 EHADRM Cc1ccc(F)cc1[C@H](C)OC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001594367200 958500469 /nfs/dbraw/zinc/50/04/69/958500469.db2.gz PEJOXKJCBVVVJK-LBPRGKRZSA-N -1 0 332.327 3.516 20 0 EHADRM Cc1nc(N(C)Cc2csc(Br)c2)ccc1C(=O)[O-] ZINC000124222521 958524320 /nfs/dbraw/zinc/52/43/20/958524320.db2.gz QVAYVMTYPVFKLS-UHFFFAOYSA-N -1 0 341.230 3.549 20 0 EHADRM C[C@](NC(=O)c1cc2ccc(F)cc2s1)(C(=O)[O-])c1ccccc1 ZINC000391674500 972356334 /nfs/dbraw/zinc/35/63/34/972356334.db2.gz LZGKXJJAUHNIMM-GOSISDBHSA-N -1 0 343.379 3.770 20 0 EHADRM COc1ccc2ccccc2c1CCNC(=O)c1cccc(C(=O)[O-])c1 ZINC001594118702 958586194 /nfs/dbraw/zinc/58/61/94/958586194.db2.gz ZTLFNSYQUFOHOL-UHFFFAOYSA-N -1 0 349.386 3.519 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)CCC2 ZINC001594382263 958643798 /nfs/dbraw/zinc/64/37/98/958643798.db2.gz WJKXKAPEOYQKPL-SFHVURJKSA-N -1 0 338.407 3.570 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)OCc1cnc(-c2ccccc2)s1 ZINC001573389154 958683673 /nfs/dbraw/zinc/68/36/73/958683673.db2.gz ARHNQPFGSTXPBL-CYBMUJFWSA-N -1 0 333.409 3.600 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC001573391019 958699686 /nfs/dbraw/zinc/69/96/86/958699686.db2.gz QFYVOBZPXRJGRM-PBHICJAKSA-N -1 0 342.439 3.621 20 0 EHADRM Cc1cccc([C@H](C)CNC(=O)N2CCCC[C@H]2CCC(=O)[O-])c1 ZINC001594390447 958707877 /nfs/dbraw/zinc/70/78/77/958707877.db2.gz QXBXTFLHHNFCHL-WBVHZDCISA-N -1 0 332.444 3.527 20 0 EHADRM COc1ccccc1-c1ccc(C(=O)N[C@H](CC(C)C)C(=O)[O-])s1 ZINC001594136382 958711193 /nfs/dbraw/zinc/71/11/93/958711193.db2.gz PJHAAJGYIYGSIG-CYBMUJFWSA-N -1 0 347.436 3.653 20 0 EHADRM Cc1cc(Br)cc(C(=O)Nc2ccc(C(=O)[O-])s2)c1 ZINC000130632178 958736695 /nfs/dbraw/zinc/73/66/95/958736695.db2.gz LFADOHJLJGQLKU-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2cc(C3CC3)[nH]c2C2CC2)C(=O)[O-])c1 ZINC001594393014 958748644 /nfs/dbraw/zinc/74/86/44/958748644.db2.gz LBIDIMCERQEENW-GOSISDBHSA-N -1 0 338.407 3.634 20 0 EHADRM Cc1cccc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1Br ZINC000131933533 958758080 /nfs/dbraw/zinc/75/80/80/958758080.db2.gz QPSLAYFANAPBOD-WDEREUQCSA-N -1 0 340.217 3.587 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1 ZINC001594399108 958820261 /nfs/dbraw/zinc/82/02/61/958820261.db2.gz KBWJBZGASQWDFV-CYBMUJFWSA-N -1 0 346.452 3.613 20 0 EHADRM Cc1cccc(C2(NC(=O)NCc3cccc(C(=O)[O-])c3)CCC2)c1 ZINC001594401369 958857379 /nfs/dbraw/zinc/85/73/79/958857379.db2.gz BFAUFDAPKXLDNN-UHFFFAOYSA-N -1 0 338.407 3.572 20 0 EHADRM Cc1cccc(C2=CCN(C(=O)[C@@H](C(=O)[O-])C3CCCC3)CC2)c1 ZINC001594401407 958858685 /nfs/dbraw/zinc/85/86/85/958858685.db2.gz GBHFJLQDZJQGLY-SFHVURJKSA-N -1 0 327.424 3.502 20 0 EHADRM CC(C)(C)Oc1c(F)cc(NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)cc1F ZINC001573458071 958912980 /nfs/dbraw/zinc/91/29/80/958912980.db2.gz RINGFBJDDGELIT-QGZVFWFLSA-N -1 0 341.354 3.582 20 0 EHADRM CC(C)(C)c1ccc(C2(C(=O)N3CC(C(=O)[O-])C3)CCCCC2)cc1 ZINC001573462508 958919182 /nfs/dbraw/zinc/91/91/82/958919182.db2.gz CVAPSLFSGVCRNC-UHFFFAOYSA-N -1 0 343.467 3.729 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)c1cc2cccc(F)c2o1)c1ccccc1 ZINC000139446738 958968013 /nfs/dbraw/zinc/96/80/13/958968013.db2.gz WNKICIBRQLADDY-OAHLLOKOSA-N -1 0 341.338 3.908 20 0 EHADRM CC(C)[C@H](CCc1ccccc1)C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001573490018 959011860 /nfs/dbraw/zinc/01/18/60/959011860.db2.gz MALVDNMHVITCLF-INIZCTEOSA-N -1 0 326.396 3.623 20 0 EHADRM C[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1cccc(Cl)c1 ZINC001588552019 959032876 /nfs/dbraw/zinc/03/28/76/959032876.db2.gz OYBMUCLCDGBFSC-ZUZCIYMTSA-N -1 0 335.762 3.525 20 0 EHADRM Cc1ccccc1OCCCN(C)C(=O)C1(C(=O)[O-])CCCCCC1 ZINC001594419920 959047514 /nfs/dbraw/zinc/04/75/14/959047514.db2.gz LSJLEAZWLNPRSJ-UHFFFAOYSA-N -1 0 347.455 3.648 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1ccc(OCC2CCCCC2)cc1)C(=O)[O-] ZINC001573499226 959048568 /nfs/dbraw/zinc/04/85/68/959048568.db2.gz SEBJAIRPTLJSKF-GOSISDBHSA-N -1 0 347.455 3.732 20 0 EHADRM CSc1cc(C)ccc1NC(=O)NCc1ccccc1C(=O)[O-] ZINC001594189496 959159070 /nfs/dbraw/zinc/15/90/70/959159070.db2.gz JHYZQNRDPZXGKA-UHFFFAOYSA-N -1 0 330.409 3.737 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)N[C@H](CCCc1ccccc1)c1ccccc1 ZINC001588568994 959169096 /nfs/dbraw/zinc/16/90/96/959169096.db2.gz YNIQAWWMLBVCSA-MAUKXSAKSA-N -1 0 325.408 3.588 20 0 EHADRM CC(C)[C@@H](CNC(=O)[C@@H](C)C(=O)[O-])Cc1ccc(Cl)cc1Cl ZINC001588571700 959188905 /nfs/dbraw/zinc/18/89/05/959188905.db2.gz ZNHMKWFHDSTKJR-ZYHUDNBSSA-N -1 0 346.254 3.645 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000392084352 972408293 /nfs/dbraw/zinc/40/82/93/972408293.db2.gz XOCPCPNCXGSNRX-WJWMFLMHSA-N -1 0 333.472 3.837 20 0 EHADRM CSCC[C@@H](C)N(C)C(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000161816713 959196238 /nfs/dbraw/zinc/19/62/38/959196238.db2.gz GXCZIAZWXQXFBM-SECBINFHSA-N -1 0 330.837 3.644 20 0 EHADRM CC(C)N(C)c1ccc(NC(=O)C2(C(=O)[O-])CCCCC2)cc1F ZINC001573544005 959196968 /nfs/dbraw/zinc/19/69/68/959196968.db2.gz PATPGIPYBULOML-UHFFFAOYSA-N -1 0 336.407 3.644 20 0 EHADRM CSc1ccccc1[C@H](C)NC(=O)NCc1ccccc1C(=O)[O-] ZINC001594197771 959209847 /nfs/dbraw/zinc/20/98/47/959209847.db2.gz BLFFDGMKEYHVIN-LBPRGKRZSA-N -1 0 344.436 3.667 20 0 EHADRM C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001594212389 959300369 /nfs/dbraw/zinc/30/03/69/959300369.db2.gz MMXIAEGSRMROGB-AWEZNQCLSA-N -1 0 349.390 3.512 20 0 EHADRM CCCOc1cccc(C(=O)NC2(C(=O)[O-])CCC(CC)CC2)c1 ZINC000392135288 972414718 /nfs/dbraw/zinc/41/47/18/972414718.db2.gz OHJBPTRVJBKXEU-UHFFFAOYSA-N -1 0 333.428 3.629 20 0 EHADRM Cc1nc(CC(C)C)c(NC(=O)N[C@H](C(=O)[O-])c2ccccc2)s1 ZINC001594451106 959369615 /nfs/dbraw/zinc/36/96/15/959369615.db2.gz CWSWHFWUXWPHHN-AWEZNQCLSA-N -1 0 347.440 3.597 20 0 EHADRM Cc1nc(CC(C)C)c(C(=O)OCc2ccc(C(=O)[O-])cc2)s1 ZINC001594451324 959371753 /nfs/dbraw/zinc/37/17/53/959371753.db2.gz QWHWSIGAVCAUEG-UHFFFAOYSA-N -1 0 333.409 3.705 20 0 EHADRM CC(C)(NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1ccccc1 ZINC000392225571 972429009 /nfs/dbraw/zinc/42/90/09/972429009.db2.gz LJKUBDODMWRYJB-UHFFFAOYSA-N -1 0 334.322 3.720 20 0 EHADRM COc1ccc2oc([C@H](C)NC(=O)c3cc(C(=O)[O-])co3)c(C)c2c1 ZINC000183785608 959449851 /nfs/dbraw/zinc/44/98/51/959449851.db2.gz GMLSTXGALSVXSN-JTQLQIEISA-N -1 0 343.335 3.532 20 0 EHADRM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2cc(C(=O)[O-])co2)o1 ZINC000183802837 959450975 /nfs/dbraw/zinc/45/09/75/959450975.db2.gz SVGNOEMTVQBMIX-SMDDNHRTSA-N -1 0 331.368 3.747 20 0 EHADRM Cc1ccc(-c2cc(C(=O)[O-])nc3sc4c(c32)CCN(C)C4)cc1 ZINC000185003254 959490823 /nfs/dbraw/zinc/49/08/23/959490823.db2.gz GIRXAIHMMPXJKD-UHFFFAOYSA-N -1 0 338.432 3.958 20 0 EHADRM CC(C)(C(=O)NCCCCCC(=O)[O-])c1cccc(Cl)c1F ZINC001588609874 959500039 /nfs/dbraw/zinc/50/00/39/959500039.db2.gz HIEIRGAXIZLJHL-UHFFFAOYSA-N -1 0 329.799 3.518 20 0 EHADRM CC[C@H](NC(=O)c1ccc(C)cc1Sc1ccccc1)C(=O)[O-] ZINC000190904432 959528578 /nfs/dbraw/zinc/52/85/78/959528578.db2.gz HYSJTYSHVOUNEW-HNNXBMFYSA-N -1 0 329.421 3.739 20 0 EHADRM CC[C@H](C)n1ncc(C(=O)Nc2cc(C(=O)[O-])ccc2F)c1C1CC1 ZINC000191059833 959537712 /nfs/dbraw/zinc/53/77/12/959537712.db2.gz ZGZBVGNKECVKGS-JTQLQIEISA-N -1 0 345.374 3.821 20 0 EHADRM CC[C@H](C(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccc(OC)cc1 ZINC000192889608 959593904 /nfs/dbraw/zinc/59/39/04/959593904.db2.gz NGEAWTKWWNGPGO-SFHVURJKSA-N -1 0 341.407 3.845 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC001588640701 959688364 /nfs/dbraw/zinc/68/83/64/959688364.db2.gz LWZANGDYKDXEOI-LBPRGKRZSA-N -1 0 336.388 3.635 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)OCc1cccc(-c2ccccn2)c1 ZINC001588641053 959695073 /nfs/dbraw/zinc/69/50/73/959695073.db2.gz VOBHAMLINBEVTM-MRXNPFEDSA-N -1 0 327.380 3.539 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)O[C@@H]1CCCc2c(F)cc(F)cc21 ZINC001588641256 959698765 /nfs/dbraw/zinc/69/87/65/959698765.db2.gz ZZQYTNCWPHRTHI-ZIAGYGMSSA-N -1 0 326.339 3.632 20 0 EHADRM CC(C)(C)C1CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)C1 ZINC001588642467 959702566 /nfs/dbraw/zinc/70/25/66/959702566.db2.gz CRNWSOYCFADDAT-UHFFFAOYSA-N -1 0 328.771 3.687 20 0 EHADRM CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001588643541 959716938 /nfs/dbraw/zinc/71/69/38/959716938.db2.gz SJLCHOTZPXFFJF-NVXWUHKLSA-N -1 0 347.455 3.732 20 0 EHADRM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC001594266042 959737581 /nfs/dbraw/zinc/73/75/81/959737581.db2.gz ABPLRNVYYAZTCN-KBPBESRZSA-N -1 0 332.444 3.529 20 0 EHADRM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001594266235 959740786 /nfs/dbraw/zinc/74/07/86/959740786.db2.gz GECVDVKGHQTFPJ-PBHICJAKSA-N -1 0 334.460 3.681 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1N)C(=O)[O-] ZINC001588647071 959744242 /nfs/dbraw/zinc/74/42/42/959744242.db2.gz BLBPNTHLFFSAOF-NSHDSACASA-N -1 0 347.242 3.585 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)c1cc2sccc2c(O)c1)C(=O)[O-] ZINC001588648798 959750811 /nfs/dbraw/zinc/75/08/11/959750811.db2.gz RFJYVVNRBMPOMH-GFCCVEGCSA-N -1 0 335.425 3.616 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)OC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001594268472 959770459 /nfs/dbraw/zinc/77/04/59/959770459.db2.gz AMLWRIJLUOCRFK-CYBMUJFWSA-N -1 0 346.379 3.617 20 0 EHADRM C[C@@H](c1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)cc1)C(F)(F)F ZINC001573711680 959853471 /nfs/dbraw/zinc/85/34/71/959853471.db2.gz NPNOUKLTQKLHDI-UHIISALHSA-N -1 0 343.345 3.678 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000226597328 959894155 /nfs/dbraw/zinc/89/41/55/959894155.db2.gz ANNMSCKRSLNIJU-IIMNLJJBSA-N -1 0 342.222 3.851 20 0 EHADRM Cc1cscc1CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC000226888888 959908967 /nfs/dbraw/zinc/90/89/67/959908967.db2.gz JCACVNLQYXKULP-UHFFFAOYSA-N -1 0 326.761 3.928 20 0 EHADRM CN(C)c1ccc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)cc1F ZINC001604090704 972488728 /nfs/dbraw/zinc/48/87/28/972488728.db2.gz CPXPLPZGVIWXAA-UHFFFAOYSA-N -1 0 345.374 3.553 20 0 EHADRM COc1cccc(NCc2ccc(C(=O)[O-])cc2Br)c1 ZINC000232438824 960271882 /nfs/dbraw/zinc/27/18/82/960271882.db2.gz FHKZDPBSRITKJH-UHFFFAOYSA-N -1 0 336.185 3.768 20 0 EHADRM CSc1ccc(C)c(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000392501397 972492244 /nfs/dbraw/zinc/49/22/44/972492244.db2.gz XCKVKLSUWFKPTB-HNNXBMFYSA-N -1 0 341.432 3.936 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H]1NC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000392608503 972502262 /nfs/dbraw/zinc/50/22/62/972502262.db2.gz KFCJQZQZLMTQOP-QZTJIDSGSA-N -1 0 336.391 3.633 20 0 EHADRM O=C([O-])c1ccccc1CN1CCn2cccc2[C@@H]1c1ccccc1 ZINC001140498039 960497888 /nfs/dbraw/zinc/49/78/88/960497888.db2.gz GDFYEVYUCXSGQP-FQEVSTJZSA-N -1 0 332.403 3.792 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)Cc2cccc3ccccc32)cc1F ZINC000392695964 972511541 /nfs/dbraw/zinc/51/15/41/972511541.db2.gz LESHHWQMQYOHNR-UHFFFAOYSA-N -1 0 341.313 3.997 20 0 EHADRM CSc1ccc([C@@H](C)NC(=O)c2coc(/C=C/C(=O)[O-])c2)cc1 ZINC001574257369 960541469 /nfs/dbraw/zinc/54/14/69/960541469.db2.gz HTHXIKIEKQVVLI-AYLMVEPYSA-N -1 0 331.393 3.590 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)c1ccc(Oc2ccccc2)o1 ZINC001574266568 960588450 /nfs/dbraw/zinc/58/84/50/960588450.db2.gz OYTZKLZMHYPGLS-TZMCWYRMSA-N -1 0 329.352 3.540 20 0 EHADRM O=C([O-])c1ccnc(Oc2cc(F)c(Cl)cc2Br)n1 ZINC000236464234 960638761 /nfs/dbraw/zinc/63/87/61/960638761.db2.gz AWMXIOZMSOMJSZ-UHFFFAOYSA-N -1 0 347.527 3.522 20 0 EHADRM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)C(CC)(CC)C(=O)[O-] ZINC001573775764 960672251 /nfs/dbraw/zinc/67/22/51/960672251.db2.gz AGQIYNUBBPQHBH-AWEZNQCLSA-N -1 0 335.444 3.680 20 0 EHADRM Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)CCCC(=O)[O-] ZINC001574297959 960708352 /nfs/dbraw/zinc/70/83/52/960708352.db2.gz RPRVUBKBTWHGKB-UHFFFAOYSA-N -1 0 343.427 3.672 20 0 EHADRM CC(C)C[C@H](NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000236594885 960712973 /nfs/dbraw/zinc/71/29/73/960712973.db2.gz FSIGIKXZRCJCMQ-RISCZKNCSA-N -1 0 345.361 3.815 20 0 EHADRM Cc1ccc2nc(C3CC3)cc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])c2c1 ZINC000236631338 960719395 /nfs/dbraw/zinc/71/93/95/960719395.db2.gz NOPNBXRTHUFADF-SFHVURJKSA-N -1 0 340.423 3.650 20 0 EHADRM CCC(CC)(CNC(=O)NCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001573783779 960720982 /nfs/dbraw/zinc/72/09/82/960720982.db2.gz APCVXZZNLRSLKS-UHFFFAOYSA-N -1 0 347.242 3.684 20 0 EHADRM C/C(=C/C(=O)Nc1ccc(OCC(=O)[O-])cc1C)c1ccccc1 ZINC000236674597 960728912 /nfs/dbraw/zinc/72/89/12/960728912.db2.gz WOGJURVXGLWDKS-QBFSEMIESA-N -1 0 325.364 3.500 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)O[C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC001573785624 960736317 /nfs/dbraw/zinc/73/63/17/960736317.db2.gz VRNITLSYLOBOKF-GFCCVEGCSA-N -1 0 348.374 3.507 20 0 EHADRM CCCCC[C@@H](NC(=O)CCCc1c[nH]c2ccccc12)C(=O)[O-] ZINC000236811781 960762616 /nfs/dbraw/zinc/76/26/16/960762616.db2.gz SEAPGNLGEOKTAT-QGZVFWFLSA-N -1 0 330.428 3.640 20 0 EHADRM Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1ccc(C(=O)[O-])s1 ZINC000236812993 960762730 /nfs/dbraw/zinc/76/27/30/960762730.db2.gz FHGPKDBNUXNUHU-UHFFFAOYSA-N -1 0 346.408 3.602 20 0 EHADRM CCC[C@](C)(NC(=O)c1cc(C)n(C2CCCCC2)c1C)C(=O)[O-] ZINC000236837162 960770274 /nfs/dbraw/zinc/77/02/74/960770274.db2.gz ONTCCXUIDLONTM-IBGZPJMESA-N -1 0 334.460 3.983 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)CCCCc1nc2ccccc2s1)C(=O)[O-] ZINC000236928080 960800676 /nfs/dbraw/zinc/80/06/76/960800676.db2.gz CGFRSNUEBPFKHF-YVEFUNNKSA-N -1 0 348.468 3.625 20 0 EHADRM CCC[C@@](C)(NC(=O)c1sc(-c2cccs2)nc1C)C(=O)[O-] ZINC000236985611 960825970 /nfs/dbraw/zinc/82/59/70/960825970.db2.gz FLPUTEUOJCCLAL-OAHLLOKOSA-N -1 0 338.454 3.553 20 0 EHADRM CCN(CC(=O)[O-])C(=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC000236994608 960827169 /nfs/dbraw/zinc/82/71/69/960827169.db2.gz FAPZHMDAYLDJHF-UHFFFAOYSA-N -1 0 346.433 3.572 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H](C)Oc1ccc(C(C)C)c(C)c1 ZINC000237015796 960837417 /nfs/dbraw/zinc/83/74/17/960837417.db2.gz AMUGVAQQHKOFQR-KUHUBIRLSA-N -1 0 335.444 3.645 20 0 EHADRM Cc1cc(C)cc(C[C@@H](C)NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC001574325242 960840122 /nfs/dbraw/zinc/84/01/22/960840122.db2.gz DYJRKRWLKYOKLL-SJLPKXTDSA-N -1 0 346.471 3.663 20 0 EHADRM CN(CCCOc1cccc(Cl)c1)C(=O)c1cccc(C(=O)[O-])c1 ZINC000237106325 960870219 /nfs/dbraw/zinc/87/02/19/960870219.db2.gz NRDORZAMVFRVRU-UHFFFAOYSA-N -1 0 347.798 3.579 20 0 EHADRM COc1ccc(C(=O)NC(C)(C)CCC(=O)[O-])cc1-c1ccccc1 ZINC000237166007 960881274 /nfs/dbraw/zinc/88/12/74/960881274.db2.gz BMQGVSZPZBTIBC-UHFFFAOYSA-N -1 0 341.407 3.735 20 0 EHADRM CCc1ccc(CNC(=O)c2ccccc2S[C@H](C)C(=O)[O-])s1 ZINC000237175197 960884436 /nfs/dbraw/zinc/88/44/36/960884436.db2.gz CAPPEXFCLGWLSL-LLVKDONJSA-N -1 0 349.477 3.806 20 0 EHADRM COc1ccccc1[C@H](CC(C)C)NC(=O)CC(C)(C)CC(=O)[O-] ZINC000237253021 960894440 /nfs/dbraw/zinc/89/44/40/960894440.db2.gz RNBLVWQRXLQOEM-HNNXBMFYSA-N -1 0 335.444 3.790 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C1(c2cccc(Cl)c2)CC1 ZINC000237270101 960900099 /nfs/dbraw/zinc/90/00/99/960900099.db2.gz FBSZLMDHNGDTLO-UHFFFAOYSA-N -1 0 343.810 3.728 20 0 EHADRM COc1cc(-c2ccccc2)sc1C(=O)NCCCCCC(=O)[O-] ZINC000237283498 960903658 /nfs/dbraw/zinc/90/36/58/960903658.db2.gz GHGNSNFRDMRUDW-UHFFFAOYSA-N -1 0 347.436 3.799 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)(C)C)ccc1C(=O)[O-] ZINC001574334000 960904184 /nfs/dbraw/zinc/90/41/84/960904184.db2.gz VORKDTZQFBMIDO-AWEZNQCLSA-N -1 0 349.427 3.636 20 0 EHADRM CN1c2ccccc2C(=O)N[C@H]1c1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001317741040 960913631 /nfs/dbraw/zinc/91/36/31/960913631.db2.gz IKASXMPIGBWSSD-GOSISDBHSA-N -1 0 348.358 3.523 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(Cl)ccc2F)cc1 ZINC001319219706 960927488 /nfs/dbraw/zinc/92/74/88/960927488.db2.gz ZQEVTIKOLAEPOG-OAHLLOKOSA-N -1 0 335.762 3.733 20 0 EHADRM CCn1c(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc2ccccc21 ZINC001319228668 960932252 /nfs/dbraw/zinc/93/22/52/960932252.db2.gz CFYSREWLAYNZPV-UHFFFAOYSA-N -1 0 326.327 3.751 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)CCCOc2ccc(C)c(C)c2)C1 ZINC001573820620 960950825 /nfs/dbraw/zinc/95/08/25/960950825.db2.gz QOWOHSQOOHTMSD-HXUWFJFHSA-N -1 0 347.455 3.566 20 0 EHADRM C[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000237512602 960950979 /nfs/dbraw/zinc/95/09/79/960950979.db2.gz HYQHKKBFLHQBKP-SNVBAGLBSA-N -1 0 347.333 3.653 20 0 EHADRM Cc1cc(/C=C/C(=O)NC(C)(C)C(=O)[O-])c(C)n1C1CCCCC1 ZINC000237537115 960955883 /nfs/dbraw/zinc/95/58/83/960955883.db2.gz WKQHJFOTGZPVIS-ZHACJKMWSA-N -1 0 332.444 3.603 20 0 EHADRM C[C@H](CN(C)C(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2)C(=O)[O-] ZINC000237577307 960965450 /nfs/dbraw/zinc/96/54/50/960965450.db2.gz GXCHBLYVDFFFCX-DGCLKSJQSA-N -1 0 337.485 3.692 20 0 EHADRM Cc1ccc(NC(=O)CCSc2ccc(F)cc2)cc1C(=O)[O-] ZINC000237608829 960972057 /nfs/dbraw/zinc/97/20/57/960972057.db2.gz MAQJUCXIMQRFRO-UHFFFAOYSA-N -1 0 333.384 3.953 20 0 EHADRM Cc1cc(C)cc(Oc2ccc(NC(=O)C3(C(=O)[O-])CC3)cc2)c1 ZINC000237649646 960986716 /nfs/dbraw/zinc/98/67/16/960986716.db2.gz ACJPZDPTHZXRMT-UHFFFAOYSA-N -1 0 325.364 3.899 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2c(C)cc(C)cc2C)cc1 ZINC001320777805 960987901 /nfs/dbraw/zinc/98/79/01/960987901.db2.gz VCMNSOKHQBGAAQ-LJQANCHMSA-N -1 0 339.435 3.795 20 0 EHADRM Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)c(Cl)c1C ZINC001574351418 960991156 /nfs/dbraw/zinc/99/11/56/960991156.db2.gz WUMNJYYHQNWWAU-HNNXBMFYSA-N -1 0 335.762 3.652 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N[C@@]3(C)CCCC[C@@H]3C(=O)[O-])c(Cl)c2c1 ZINC001321134475 960994211 /nfs/dbraw/zinc/99/42/11/960994211.db2.gz BUTJWRVIPMWVKV-XIKOKIGWSA-N -1 0 348.830 3.893 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1csc2c1CCCC2)c1ccccc1 ZINC000237684762 960994679 /nfs/dbraw/zinc/99/46/79/960994679.db2.gz DWCKLTSNMXVRRO-SJKOYZFVSA-N -1 0 343.448 3.819 20 0 EHADRM Cc1ccc(CCC(=O)Nc2ccc(OCC(=O)[O-])cc2C)c(C)c1 ZINC000237688401 960997984 /nfs/dbraw/zinc/99/79/84/960997984.db2.gz MBJJQBPCAKKLHI-UHFFFAOYSA-N -1 0 341.407 3.647 20 0 EHADRM CC[C@H]1CCCC[C@H]1C(=O)Nc1sc2c(c1C(=O)[O-])COCC2 ZINC001573829582 961000726 /nfs/dbraw/zinc/00/07/26/961000726.db2.gz BOWPIAISOWYUSR-WDEREUQCSA-N -1 0 337.441 3.674 20 0 EHADRM Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1C(F)(F)F ZINC001574357495 961008987 /nfs/dbraw/zinc/00/89/87/961008987.db2.gz QYZHHCHSTMCNHE-AWEZNQCLSA-N -1 0 337.297 3.570 20 0 EHADRM CC[C@H]1CCc2c(sc(NC(=O)CC[C@@H](C)OC)c2C(=O)[O-])C1 ZINC001573830385 961014741 /nfs/dbraw/zinc/01/47/41/961014741.db2.gz QLPPCQLVQKEAAE-MNOVXSKESA-N -1 0 339.457 3.715 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000237751350 961015210 /nfs/dbraw/zinc/01/52/10/961015210.db2.gz IMDVTAFKHQANNO-UHFFFAOYSA-N -1 0 337.375 3.777 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)CSCc1cccs1)c1ccccc1 ZINC001323489123 961018212 /nfs/dbraw/zinc/01/82/12/961018212.db2.gz XXVAUDPWQBIIHS-BLLLJJGKSA-N -1 0 349.477 3.560 20 0 EHADRM Cc1nc(-c2ccc(C)cc2C)sc1C(=O)NCCCCC(=O)[O-] ZINC000237808982 961027010 /nfs/dbraw/zinc/02/70/10/961027010.db2.gz SNWNDLVJSXMTKP-UHFFFAOYSA-N -1 0 346.452 3.720 20 0 EHADRM O=C([O-])CCCOc1ccc(CNC(=O)CCC2CCCCC2)cc1 ZINC000237993275 961069526 /nfs/dbraw/zinc/06/95/26/961069526.db2.gz SQOPBULPVKVGID-UHFFFAOYSA-N -1 0 347.455 3.907 20 0 EHADRM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CCCC1CCCCC1 ZINC000238022833 961078888 /nfs/dbraw/zinc/07/88/88/961078888.db2.gz CMXCAJMEKODZAY-GOSISDBHSA-N -1 0 329.440 3.775 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cn1 ZINC000238056209 961089864 /nfs/dbraw/zinc/08/98/64/961089864.db2.gz ZYHYDFHZJJPPAB-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM CC(C)c1ccc(C2(C(=O)N3CC[C@@](C)(C(=O)[O-])C3)CCC2)cc1 ZINC001326429705 961092787 /nfs/dbraw/zinc/09/27/87/961092787.db2.gz JJZMUMSBOKYUSE-LJQANCHMSA-N -1 0 329.440 3.555 20 0 EHADRM CCCCn1ncc(NC(=O)Nc2ccnc(C(=O)[O-])c2)c1C(C)C ZINC001573848173 961106039 /nfs/dbraw/zinc/10/60/39/961106039.db2.gz JAOKNCFTWQIPQG-UHFFFAOYSA-N -1 0 345.403 3.544 20 0 EHADRM CC(C)(C)Oc1cccc(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)c1 ZINC001588734673 961126107 /nfs/dbraw/zinc/12/61/07/961126107.db2.gz UBJNRABMOAFUAK-CYBMUJFWSA-N -1 0 334.416 3.583 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1occc1CSc1ccccc1 ZINC000238160396 961136135 /nfs/dbraw/zinc/13/61/35/961136135.db2.gz XNULFMAQECQASL-UHFFFAOYSA-N -1 0 347.436 3.947 20 0 EHADRM CC(C)(C)c1ccc(CC(=O)NCc2ccccc2C(=O)[O-])cc1 ZINC001588739813 961161007 /nfs/dbraw/zinc/16/10/07/961161007.db2.gz WBFUDVNCLMRDIN-UHFFFAOYSA-N -1 0 325.408 3.541 20 0 EHADRM CC(C)(C)c1ccc(CC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC001588739843 961163098 /nfs/dbraw/zinc/16/30/98/961163098.db2.gz XXOLPNOMSLCTND-NRFANRHFSA-N -1 0 339.435 3.643 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000238210509 961163818 /nfs/dbraw/zinc/16/38/18/961163818.db2.gz HKKPASXUDPEKHS-UHFFFAOYSA-N -1 0 343.423 3.695 20 0 EHADRM CC(C)(C)c1ccc(O)c(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)c1 ZINC001588741283 961170045 /nfs/dbraw/zinc/17/00/45/961170045.db2.gz ZCGZARWEURPHLS-RMKNXTFCSA-N -1 0 329.352 3.633 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1ccc(OC2CCCC2)nc1 ZINC001574390545 961171827 /nfs/dbraw/zinc/17/18/27/961171827.db2.gz YDINNJGHEPUMFD-UHFFFAOYSA-N -1 0 340.379 3.662 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2cc(C(F)F)ccc2F)C(=O)[O-])c1 ZINC001574390684 961175595 /nfs/dbraw/zinc/17/55/95/961175595.db2.gz BIODCKVHQWREFK-CQSZACIVSA-N -1 0 337.297 3.627 20 0 EHADRM Cc1cccc([C@@H](NC(=O)Nc2cncc(C(=O)[O-])c2)C(C)C)c1 ZINC001574391162 961181341 /nfs/dbraw/zinc/18/13/41/961181341.db2.gz JCDKFONRZWLVLB-INIZCTEOSA-N -1 0 327.384 3.607 20 0 EHADRM Cc1cccc([C@H]2CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C2)c1 ZINC001574394946 961202555 /nfs/dbraw/zinc/20/25/55/961202555.db2.gz KIFGEXMPHTYKIO-WMZOPIPTSA-N -1 0 346.471 3.631 20 0 EHADRM Cc1cc(C)cc([C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)C2)c1 ZINC000249326093 961203194 /nfs/dbraw/zinc/20/31/94/961203194.db2.gz SAVIMEUFRHDLEJ-BRWVUGGUSA-N -1 0 329.440 3.510 20 0 EHADRM Cc1cccc(C2(CNC(=O)[C@H](C(=O)[O-])C(C)(C)C)CCCC2)c1 ZINC001574394995 961204186 /nfs/dbraw/zinc/20/41/86/961204186.db2.gz MJNNBOVGZNJZHN-MRXNPFEDSA-N -1 0 331.456 3.670 20 0 EHADRM COc1ccc2sc(C(=O)N(C)C(C)(C)CC(=O)[O-])c(C)c2c1 ZINC001328572076 961212106 /nfs/dbraw/zinc/21/21/06/961212106.db2.gz CHBBVFXEDODQJQ-UHFFFAOYSA-N -1 0 335.425 3.544 20 0 EHADRM Cc1cccc(Oc2ccc(NC(=O)[C@]3(C(=O)[O-])C[C@H]3C)cn2)c1C ZINC001574397237 961216878 /nfs/dbraw/zinc/21/68/78/961216878.db2.gz LLWDFFPFBLIEFQ-BLVKFPJESA-N -1 0 340.379 3.540 20 0 EHADRM Cc1cccnc1Oc1ccc(C(=O)Nc2cc(C(=O)[O-])ccn2)cc1 ZINC001574407284 961262466 /nfs/dbraw/zinc/26/24/66/961262466.db2.gz FRCRTMVKORAZOB-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM Cc1ccoc1CC(=O)Nc1sc2c(c1C(=O)[O-])C[C@@H](C)O[C@@H]2C ZINC001574410891 961282776 /nfs/dbraw/zinc/28/27/76/961282776.db2.gz CZTHCESUFDEAMH-NXEZZACHSA-N -1 0 349.408 3.551 20 0 EHADRM CC(C)c1ccc(C[C@H]2CCN(C(=O)c3ccc(C(=O)[O-])o3)C2)cc1 ZINC001329655572 961288547 /nfs/dbraw/zinc/28/85/47/961288547.db2.gz FOLYPMJTJSFPGR-OAHLLOKOSA-N -1 0 341.407 3.806 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)NCC(C)(C)c1ccc(F)cc1Cl ZINC001588779858 961303163 /nfs/dbraw/zinc/30/31/63/961303163.db2.gz NNIDFMUGPIDYQS-ZDUSSCGKSA-N -1 0 343.826 3.620 20 0 EHADRM CC(C)(C)c1ccc(OCC(=O)NC(C)(C)C(=O)[O-])c(C(C)(C)C)c1 ZINC001588789257 961356316 /nfs/dbraw/zinc/35/63/16/961356316.db2.gz LFBUEBVILPHYMD-UHFFFAOYSA-N -1 0 349.471 3.640 20 0 EHADRM CN(C(=O)c1cccc(SC(F)(F)F)c1)C(C)(C)CC(=O)[O-] ZINC001331049964 961361634 /nfs/dbraw/zinc/36/16/34/961361634.db2.gz QYRAUFKFMZCJTN-UHFFFAOYSA-N -1 0 335.347 3.624 20 0 EHADRM Cc1ncc(/C=C/C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)s1 ZINC001574427229 961372098 /nfs/dbraw/zinc/37/20/98/961372098.db2.gz SWWAYYUMOWEMNR-GORDUTHDSA-N -1 0 340.763 3.594 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001331398760 961374111 /nfs/dbraw/zinc/37/41/11/961374111.db2.gz LHRYHVDDZZGMAT-QZTJIDSGSA-N -1 0 347.455 3.755 20 0 EHADRM CCCCC1CCC(C(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)CC1 ZINC000261603277 961383127 /nfs/dbraw/zinc/38/31/27/961383127.db2.gz BYMMJZSZPYHXTD-SEEARECTSA-N -1 0 349.393 3.849 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000261858577 961395267 /nfs/dbraw/zinc/39/52/67/961395267.db2.gz WDOOWSKIPYGLRV-UONOGXRCSA-N -1 0 325.364 3.918 20 0 EHADRM CCc1oc2ccccc2c1C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC001332112689 961461898 /nfs/dbraw/zinc/46/18/98/961461898.db2.gz DTMDDTBZVHGCGZ-GOSISDBHSA-N -1 0 337.375 3.893 20 0 EHADRM CCO[C@@H](CC)C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](CC)C2 ZINC001573909038 961472725 /nfs/dbraw/zinc/47/27/25/961472725.db2.gz WUEMHLZSHRRDOU-PWSUYJOCSA-N -1 0 339.457 3.715 20 0 EHADRM CCC[C@H](NC(=O)CCc1ccccc1C(=O)[O-])c1ccccc1 ZINC000262126758 961482630 /nfs/dbraw/zinc/48/26/30/961482630.db2.gz GYSHXWLMTDQOQV-SFHVURJKSA-N -1 0 325.408 3.975 20 0 EHADRM Cc1ccc(C)c([C@@H]2CCCN2C(=O)Cc2ccccc2C(=O)[O-])c1 ZINC000262164549 961515394 /nfs/dbraw/zinc/51/53/94/961515394.db2.gz OJVDJZFWCZSMAA-IBGZPJMESA-N -1 0 337.419 3.908 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)Cc2ccccc2C(=O)[O-])c1C ZINC000262193724 961539762 /nfs/dbraw/zinc/53/97/62/961539762.db2.gz RHXVQKBRNMMDPU-LJQANCHMSA-N -1 0 337.419 3.908 20 0 EHADRM CC1CCN(c2ccc(NC(=O)c3cccc(C(=O)[O-])c3)cc2)CC1 ZINC001332325264 961550838 /nfs/dbraw/zinc/55/08/38/961550838.db2.gz OOBIKQRCUHRXJJ-UHFFFAOYSA-N -1 0 338.407 3.873 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CCCC[C@H]1Cc1ccccc1 ZINC000262228529 961572503 /nfs/dbraw/zinc/57/25/03/961572503.db2.gz WLOPYJIQHRYANU-SFHVURJKSA-N -1 0 337.419 3.551 20 0 EHADRM CC[C@@H](NC(=O)[C@H]1CCCC[C@@H]1c1nc2ccccc2s1)C(=O)[O-] ZINC001573931259 961574723 /nfs/dbraw/zinc/57/47/23/961574723.db2.gz QNIJBHOLXZPALC-RWMBFGLXSA-N -1 0 346.452 3.550 20 0 EHADRM COc1cc(NC(=O)c2ccc(OCC(C)C)cc2)ccc1C(=O)[O-] ZINC000262257814 961599174 /nfs/dbraw/zinc/59/91/74/961599174.db2.gz QWHINLPFSVRDRL-UHFFFAOYSA-N -1 0 343.379 3.681 20 0 EHADRM CC(C)[C@@H](CNC(=O)N[C@@H](CC1CCC1)c1ccccc1)C(=O)[O-] ZINC001588822984 961641005 /nfs/dbraw/zinc/64/10/05/961641005.db2.gz HGLIACCGUQPKSP-SJORKVTESA-N -1 0 332.444 3.574 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N(CC(=O)[O-])C3CCC3)o2)cc1 ZINC001573954547 961664138 /nfs/dbraw/zinc/66/41/38/961664138.db2.gz NRLQASMITMJAAU-UHFFFAOYSA-N -1 0 327.380 3.588 20 0 EHADRM C/C(=C/C(=O)NCc1cc(C(=O)[O-])c(C)o1)c1ccccc1Cl ZINC001333551667 961716803 /nfs/dbraw/zinc/71/68/03/961716803.db2.gz LIXZVPTZEFZKRF-YFHOEESVSA-N -1 0 333.771 3.659 20 0 EHADRM CC(C)Oc1ccccc1CC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000262450578 961727400 /nfs/dbraw/zinc/72/74/00/961727400.db2.gz VXZGTFYSLIYDSY-UHFFFAOYSA-N -1 0 341.407 3.672 20 0 EHADRM CC(C)(C)c1nc(C(=O)Nc2cccc(CCC(=O)[O-])c2)cs1 ZINC000262463786 961736041 /nfs/dbraw/zinc/73/60/41/961736041.db2.gz XXYMVWZHBVEZCI-UHFFFAOYSA-N -1 0 332.425 3.710 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cc1C(=O)[O-] ZINC000262559670 961772583 /nfs/dbraw/zinc/77/25/83/961772583.db2.gz ZFQQBGKTAKKJRA-QWRGUYRKSA-N -1 0 347.333 3.613 20 0 EHADRM CC(C)CCO[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000262663605 961798646 /nfs/dbraw/zinc/79/86/46/961798646.db2.gz VAXHXWJRHRXDGB-CYBMUJFWSA-N -1 0 337.416 3.562 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262688691 961808357 /nfs/dbraw/zinc/80/83/57/961808357.db2.gz BPWJGTZKMXWMHC-IHRRRGAJSA-N -1 0 329.396 3.809 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262708855 961817278 /nfs/dbraw/zinc/81/72/78/961817278.db2.gz KRJRVZHHHIYFEZ-XYPYZODXSA-N -1 0 329.849 3.641 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)NCC2(c3ccc(F)cc3)CCCC2)CC1 ZINC000262726622 961831421 /nfs/dbraw/zinc/83/14/21/961831421.db2.gz SSBYUDWDMNATAX-SHTZXODSSA-N -1 0 347.430 3.645 20 0 EHADRM C[C@H](CC(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-])c1ccc(F)cc1F ZINC000262760729 961853001 /nfs/dbraw/zinc/85/30/01/961853001.db2.gz KLDFSVAPLZXWTB-CDNVCLAFSA-N -1 0 339.382 3.608 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)CCc2c[nH]c3ccccc23)c2ccccc21 ZINC001574521389 961857307 /nfs/dbraw/zinc/85/73/07/961857307.db2.gz JKXRTPFMRRNWCR-MJGOQNOKSA-N -1 0 348.402 3.530 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)Cc2cccc(C(F)F)c2)c2ccccc21 ZINC001574538412 961932375 /nfs/dbraw/zinc/93/23/75/961932375.db2.gz LFQWPUPPCNRZCX-JKSUJKDBSA-N -1 0 345.345 3.596 20 0 EHADRM O=C([O-])C1(NC(=O)[C@@H](c2ccncc2)C2CCCCC2)CCCCC1 ZINC001574549531 961966543 /nfs/dbraw/zinc/96/65/43/961966543.db2.gz APBYXHGWCAONSR-QGZVFWFLSA-N -1 0 344.455 3.649 20 0 EHADRM O=C([O-])C1(NC(=O)c2cc(-c3ccccc3)ccn2)CCCCCC1 ZINC001574549807 961972439 /nfs/dbraw/zinc/97/24/39/961972439.db2.gz VXYXTSYTPDRAIR-UHFFFAOYSA-N -1 0 338.407 3.656 20 0 EHADRM Cc1csc(-c2cccc(C(=O)NC3(CC(=O)[O-])CCCC3)c2)n1 ZINC000262910950 961989990 /nfs/dbraw/zinc/98/99/90/961989990.db2.gz NEGHTYSDTJWAOS-UHFFFAOYSA-N -1 0 344.436 3.636 20 0 EHADRM CC(C)c1cc(C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)c2ccccc2n1 ZINC000262916504 961998431 /nfs/dbraw/zinc/99/84/31/961998431.db2.gz FDFKFZLGQMXKOW-HXUWFJFHSA-N -1 0 340.423 3.685 20 0 EHADRM CC[C@@](C)(NC(=O)c1cc(-c2ccc(OC)cc2)c(C)s1)C(=O)[O-] ZINC000262928902 962011700 /nfs/dbraw/zinc/01/17/00/962011700.db2.gz BCJSRTCYCCYLPS-GOSISDBHSA-N -1 0 347.436 3.715 20 0 EHADRM CC(C)CCOc1ccccc1NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001588868100 962038410 /nfs/dbraw/zinc/03/84/10/962038410.db2.gz VWQSCIYCVBGXGV-CABCVRRESA-N -1 0 348.443 3.686 20 0 EHADRM CC[C@](CNC(=O)c1cc(C(C)C)oc1C)(C(=O)[O-])c1ccccc1 ZINC000262986759 962078629 /nfs/dbraw/zinc/07/86/29/962078629.db2.gz LKXNUAQLCLVKHL-HXUWFJFHSA-N -1 0 343.423 3.874 20 0 EHADRM CC(C)CN(CC(C)C)C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001588871063 962081889 /nfs/dbraw/zinc/08/18/89/962081889.db2.gz LSEJTWKVCLLPRD-IRXDYDNUSA-N -1 0 332.444 3.623 20 0 EHADRM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cc1 ZINC000263041042 962164481 /nfs/dbraw/zinc/16/44/81/962164481.db2.gz DAKVZOMZMHIDNN-KGLIPLIRSA-N -1 0 327.380 3.589 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3)C(=O)[O-] ZINC001588886717 962180510 /nfs/dbraw/zinc/18/05/10/962180510.db2.gz ZEHMPGMMHOUWBO-GOSISDBHSA-N -1 0 342.439 3.666 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@@H]2C[C@H]2c2cccc3ccccc32)ccn1 ZINC001574608347 962188009 /nfs/dbraw/zinc/18/80/09/962188009.db2.gz MCPYVZNAMBLWPC-DLBZAZTESA-N -1 0 347.374 3.611 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(C3SCCS3)cc2)ccn1 ZINC001574608895 962196817 /nfs/dbraw/zinc/19/68/17/962196817.db2.gz XCYSDTFVVPKUEY-UHFFFAOYSA-N -1 0 346.433 3.511 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCC[C@]2(CC=CCC2)C1)CC(=O)[O-] ZINC001588892795 962213684 /nfs/dbraw/zinc/21/36/84/962213684.db2.gz GSOQCVQHGTTZPF-QFBILLFUSA-N -1 0 336.476 3.655 20 0 EHADRM CC1(C)C[C@@H](C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CCO1 ZINC001345097148 962227110 /nfs/dbraw/zinc/22/71/10/962227110.db2.gz VIUOOGNXJJQODG-JTQLQIEISA-N -1 0 333.409 3.743 20 0 EHADRM C[C@@H](NC(=O)[C@@H](C)CC1CCCC1)c1ccc(OCC(=O)[O-])cc1 ZINC000263107005 962257781 /nfs/dbraw/zinc/25/77/81/962257781.db2.gz RNACTIRKINBFPF-UONOGXRCSA-N -1 0 333.428 3.544 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)co1 ZINC000263108430 962259630 /nfs/dbraw/zinc/25/96/30/962259630.db2.gz JLWYDOFWSDWBGI-INIZCTEOSA-N -1 0 329.396 3.831 20 0 EHADRM O=C([O-])C1(C(=O)N2CCC=C(c3ccccc3)C2)CCCCCC1 ZINC001574625106 962269006 /nfs/dbraw/zinc/26/90/06/962269006.db2.gz NXEFQGFMMGGDIT-UHFFFAOYSA-N -1 0 327.424 3.728 20 0 EHADRM CC(C)Cc1ccc([C@H](NC(=O)N2CC[C@H](C(=O)[O-])C2)C(C)C)cc1 ZINC001588906333 962280840 /nfs/dbraw/zinc/28/08/40/962280840.db2.gz ZFZYFWRVDPIBJO-ZWKOTPCHSA-N -1 0 346.471 3.698 20 0 EHADRM Cc1cc(C)c(C(=O)N[C@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])o1 ZINC000263162066 962313462 /nfs/dbraw/zinc/31/34/62/962313462.db2.gz VNIFHSQXKZRKLK-DOTOQJQBSA-N -1 0 341.407 3.590 20 0 EHADRM CCC[C@@H](C)C(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC000263165451 962317779 /nfs/dbraw/zinc/31/77/79/962317779.db2.gz KBAMWQTXWBOSFF-LLVKDONJSA-N -1 0 332.425 3.561 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@H]2SCCc3sccc32)cc1 ZINC000263173575 962325443 /nfs/dbraw/zinc/32/54/43/962325443.db2.gz GGJYDLWRKPYKQL-BMIGLBTASA-N -1 0 347.461 3.905 20 0 EHADRM CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000263178041 962333076 /nfs/dbraw/zinc/33/30/76/962333076.db2.gz GYJPIVARHIGQDH-BLLLJJGKSA-N -1 0 345.370 3.810 20 0 EHADRM CC(C)N(C)c1ccc(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1F ZINC001588915767 962339925 /nfs/dbraw/zinc/33/99/25/962339925.db2.gz YHFIRRCWJWYZBQ-RMKNXTFCSA-N -1 0 346.358 3.613 20 0 EHADRM CC(C)(C)c1ccc2cc(C(=O)N3CCC[C@](C)(C(=O)[O-])C3)[nH]c2c1 ZINC000263195712 962351157 /nfs/dbraw/zinc/35/11/57/962351157.db2.gz JEDSHQFGSXGCDT-FQEVSTJZSA-N -1 0 342.439 3.792 20 0 EHADRM CC(C)c1occc1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000263215225 962370597 /nfs/dbraw/zinc/37/05/97/962370597.db2.gz XHSDOEONJRFQSD-UHFFFAOYSA-N -1 0 333.409 3.973 20 0 EHADRM COc1ccc([C@@H]2CCCN2C(=O)c2cc(C)cc(C(=O)[O-])c2)cc1 ZINC000263321193 962463696 /nfs/dbraw/zinc/46/36/96/962463696.db2.gz NPZZQTZMEOZSNH-SFHVURJKSA-N -1 0 339.391 3.679 20 0 EHADRM O=C([O-])[C@H]1CCN(C[C@H]2CCCC23CCOCC3)c2ccccc21 ZINC001574656525 962466396 /nfs/dbraw/zinc/46/63/96/962466396.db2.gz YOWRLCOJMYWGOB-WBVHZDCISA-N -1 0 329.440 3.662 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)NCCCCC2CCCC2)Cc2ccccc21 ZINC001574657673 962475332 /nfs/dbraw/zinc/47/53/32/962475332.db2.gz DPMRKAIEYKYNNN-GOSISDBHSA-N -1 0 344.455 3.741 20 0 EHADRM O=C([O-])[C@@H]1CN(Cc2nc(Cl)ccc2Cl)Cc2ccccc21 ZINC001574661438 962492806 /nfs/dbraw/zinc/49/28/06/962492806.db2.gz MYZMXJVRSCVQJJ-GFCCVEGCSA-N -1 0 337.206 3.572 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCCC[C@H]2/C=C/c2ccccc2)C1 ZINC000263354175 962508134 /nfs/dbraw/zinc/50/81/34/962508134.db2.gz WLJGKRXIXSRIBW-DLUYRVDFSA-N -1 0 341.451 3.972 20 0 EHADRM CC(C)Oc1ccc([C@H](C)NC(=O)C2(C(=O)[O-])CCCCC2)cc1 ZINC001588938093 962513663 /nfs/dbraw/zinc/51/36/63/962513663.db2.gz LEBZKBOWDVQEFS-AWEZNQCLSA-N -1 0 333.428 3.686 20 0 EHADRM COc1ccc(CCCC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cc1 ZINC000263364997 962524133 /nfs/dbraw/zinc/52/41/33/962524133.db2.gz ZORYYPQMPNKMPR-CQSZACIVSA-N -1 0 341.407 3.845 20 0 EHADRM Cn1c(C(=O)[O-])ccc1[C@@H]1CCCCN1C(=O)/C=C\C1CCCC1 ZINC001349995983 962529896 /nfs/dbraw/zinc/52/98/96/962529896.db2.gz GHODGQXOTXTJSH-CKDIWJPDSA-N -1 0 330.428 3.523 20 0 EHADRM CCCn1ccc2cc(NC(=O)c3c(C)coc3CC(=O)[O-])ccc21 ZINC000263442343 962624448 /nfs/dbraw/zinc/62/44/48/962624448.db2.gz QAOLYGOISPLILV-UHFFFAOYSA-N -1 0 340.379 3.832 20 0 EHADRM O=C([O-])c1cccc(CN2CCO[C@H](c3ccc(F)cc3Cl)C2)c1 ZINC000263448133 962633304 /nfs/dbraw/zinc/63/33/04/962633304.db2.gz YPXALYBRXBDRBY-KRWDZBQOSA-N -1 0 349.789 3.751 20 0 EHADRM CC[C@@H](NC(=O)c1c(C)coc1CC(=O)[O-])c1cccc(Cl)c1 ZINC000263448699 962634336 /nfs/dbraw/zinc/63/43/36/962634336.db2.gz RRLOZOZTQQLNHU-CYBMUJFWSA-N -1 0 335.787 3.750 20 0 EHADRM CC[C@H](C)N(Cc1ccccc1)C(=O)c1c(C)coc1CC(=O)[O-] ZINC000263454290 962642040 /nfs/dbraw/zinc/64/20/40/962642040.db2.gz UEMQDJNWEBIWIZ-AWEZNQCLSA-N -1 0 329.396 3.656 20 0 EHADRM CC[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc(C(=O)[O-])c(C)n1 ZINC000263351858 1125483582 /nfs/dbraw/zinc/48/35/82/1125483582.db2.gz PZUDAVQJXGSUNA-CYBMUJFWSA-N -1 0 326.396 3.529 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263472792 962660352 /nfs/dbraw/zinc/66/03/52/962660352.db2.gz LURMOJROCNQSMO-RAGICBKZSA-N -1 0 344.455 3.606 20 0 EHADRM CC(C)(C)Sc1ccc(NC(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000263476527 962662601 /nfs/dbraw/zinc/66/26/01/962662601.db2.gz JLQGGCBCTCNYJP-KRWDZBQOSA-N -1 0 336.457 3.906 20 0 EHADRM Cc1cccc(C)c1NC(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263489601 962673809 /nfs/dbraw/zinc/67/38/09/962673809.db2.gz OEXOLRTYORRGSS-QGZVFWFLSA-N -1 0 340.423 3.901 20 0 EHADRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)NCCCCCCC(=O)[O-] ZINC001354031974 962691831 /nfs/dbraw/zinc/69/18/31/962691831.db2.gz UDXJIYLHOWZYJC-UHFFFAOYSA-N -1 0 336.819 3.895 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)Cc2cccc(Cl)c2F)c1 ZINC001574710261 962705429 /nfs/dbraw/zinc/70/54/29/962705429.db2.gz NVYBCFJTYFWXEB-UHFFFAOYSA-N -1 0 335.762 3.678 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@@H]2Cc3ccc(Cl)cc32)c1 ZINC001574710580 962709312 /nfs/dbraw/zinc/70/93/12/962709312.db2.gz XOHHDYLWODSWLZ-MRXNPFEDSA-N -1 0 329.783 3.636 20 0 EHADRM C[C@]1(Cc2ccccc2)CCCN1C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000263565266 962733319 /nfs/dbraw/zinc/73/33/19/962733319.db2.gz FKBXSDVVWSHDAV-FUHIMQAGSA-N -1 0 329.440 3.501 20 0 EHADRM CC(C)(NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1cccc(Cl)c1F ZINC000263582673 962747761 /nfs/dbraw/zinc/74/77/61/962747761.db2.gz YWVVEKOQKSQQSB-XYPYZODXSA-N -1 0 341.810 3.721 20 0 EHADRM C[C@H](CC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1)n1cccc1 ZINC001588989331 962796113 /nfs/dbraw/zinc/79/61/13/962796113.db2.gz GHYMZRHNUNRLHJ-OAHLLOKOSA-N -1 0 340.423 3.544 20 0 EHADRM C[C@H](CC(F)(F)F)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001520161134 962818120 /nfs/dbraw/zinc/81/81/20/962818120.db2.gz RDGWYKJHVZMNRU-SNVBAGLBSA-N -1 0 349.374 3.922 20 0 EHADRM COc1cc(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)cc2ccccc21 ZINC001574186783 962842876 /nfs/dbraw/zinc/84/28/76/962842876.db2.gz VHFFAXHOZZYKET-LJQANCHMSA-N -1 0 325.364 3.598 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccccc1NCc1cc(C(=O)[O-])co1 ZINC000302080602 963067874 /nfs/dbraw/zinc/06/78/74/963067874.db2.gz BLRYZRBMFWYMBI-UHFFFAOYSA-N -1 0 332.356 3.937 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2cccn2Cc2ccccc2)c1 ZINC000305341608 963156107 /nfs/dbraw/zinc/15/61/07/963156107.db2.gz BNWSYRUQRBMHQV-UHFFFAOYSA-N -1 0 348.402 3.806 20 0 EHADRM O=C([O-])c1cc(C(=O)Nc2ccccc2OCc2ccccc2)ccn1 ZINC000312034267 963530046 /nfs/dbraw/zinc/53/00/46/963530046.db2.gz YOKNXZRSRUHOHS-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM CN(C(=O)c1cc(Cl)sc1Cl)C1(C(=O)[O-])CCCCC1 ZINC000312478782 963565838 /nfs/dbraw/zinc/56/58/38/963565838.db2.gz YFTJAXBRYSSRCF-UHFFFAOYSA-N -1 0 336.240 3.914 20 0 EHADRM CC[C@@H]1CC[C@H](C)N(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000312894095 963603042 /nfs/dbraw/zinc/60/30/42/963603042.db2.gz RMZFTNIQILCJRP-VHSXEESVSA-N -1 0 326.343 3.705 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])[nH]1)c1ccc(Cl)cc1Cl ZINC000314315105 963739801 /nfs/dbraw/zinc/73/98/01/963739801.db2.gz MQTVQOLAQVQJAQ-ZETCQYMHSA-N -1 0 327.167 3.511 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)CCSc1ccc(Cl)cc1 ZINC000314483742 963759137 /nfs/dbraw/zinc/75/91/37/963759137.db2.gz PWGRGHVZNVBERF-ZDUSSCGKSA-N -1 0 341.860 3.678 20 0 EHADRM COc1cc(N[C@H](C)c2ncc(C(=O)[O-])s2)c(OC)cc1Cl ZINC000314936550 963831798 /nfs/dbraw/zinc/83/17/98/963831798.db2.gz JSXOXHUDYADZEW-SSDOTTSWSA-N -1 0 342.804 3.685 20 0 EHADRM CN(C(=O)c1ccc(Cl)c(Cl)c1)C1(C(=O)[O-])CCCCC1 ZINC000315331536 963882675 /nfs/dbraw/zinc/88/26/75/963882675.db2.gz NEXOTZUOSOUYHA-UHFFFAOYSA-N -1 0 330.211 3.853 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1ccc(Cl)cc1Br ZINC000131416383 967629260 /nfs/dbraw/zinc/62/92/60/967629260.db2.gz ZQPKOKCPWCYSEX-UHFFFAOYSA-N -1 0 334.597 3.686 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc3c(ccc4ccccc34)[nH]2)CC[C@H]1C(=O)[O-] ZINC000262851280 967829710 /nfs/dbraw/zinc/82/97/10/967829710.db2.gz DPZUWKPFNATZSI-TZMCWYRMSA-N -1 0 336.391 3.504 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)NC1(Cc2ccccc2)CCCC1 ZINC000262876253 967829914 /nfs/dbraw/zinc/82/99/14/967829914.db2.gz XCOXABWGZYBXGA-UHFFFAOYSA-N -1 0 337.419 3.599 20 0 EHADRM C[C@H]1CN(C(=O)C2CCC(c3ccccc3)CC2)CC[C@@H]1C(=O)[O-] ZINC000263100049 967846754 /nfs/dbraw/zinc/84/67/54/967846754.db2.gz VWTFKXFOMFDWBZ-KUQKPQIMSA-N -1 0 329.440 3.530 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000263222310 967863291 /nfs/dbraw/zinc/86/32/91/967863291.db2.gz PINWFKZSHXUNPM-SRVKXCTJSA-N -1 0 341.860 3.532 20 0 EHADRM Cc1ccc(CCC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1Cl ZINC000321634489 968014610 /nfs/dbraw/zinc/01/46/10/968014610.db2.gz VZNUYPRLRVUJDJ-HNNXBMFYSA-N -1 0 337.847 3.684 20 0 EHADRM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccccc1C(=O)[O-] ZINC000323898554 968027074 /nfs/dbraw/zinc/02/70/74/968027074.db2.gz JJWPDBRPKNIOMT-NSHDSACASA-N -1 0 330.306 3.580 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1ccc(Cl)cc1Cl ZINC000397066244 968242312 /nfs/dbraw/zinc/24/23/12/968242312.db2.gz IKDVOXMKZTXUFI-IUCAKERBSA-N -1 0 331.199 3.710 20 0 EHADRM CC(C)(CCNC(=O)N1CCC[C@H]1CCCc1ccccc1)C(=O)[O-] ZINC000424405340 968363241 /nfs/dbraw/zinc/36/32/41/968363241.db2.gz OEDRWBLXVKZLCF-QGZVFWFLSA-N -1 0 346.471 3.684 20 0 EHADRM C[C@@H]1CCN(C(=O)N[C@H](c2ccccc2)C(C)(C)C)C[C@@H]1C(=O)[O-] ZINC000577726791 968465221 /nfs/dbraw/zinc/46/52/21/968465221.db2.gz GXLGETXSZQTSQN-VNQPRFMTSA-N -1 0 332.444 3.526 20 0 EHADRM CCSc1ccc(CN2CCC[C@@H]2C(=O)[O-])c(Br)c1 ZINC000629359508 968521681 /nfs/dbraw/zinc/52/16/81/968521681.db2.gz XHYGSNVGRXTZAF-CYBMUJFWSA-N -1 0 344.274 3.610 20 0 EHADRM CC(C)C[C@H](CNC(=O)CCc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000630140925 968528358 /nfs/dbraw/zinc/52/83/58/968528358.db2.gz CNHRPVYWZYMYQG-CYBMUJFWSA-N -1 0 345.361 3.501 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)Cc2coc3cc(Cl)ccc23)C1 ZINC000630160836 968529824 /nfs/dbraw/zinc/52/98/24/968529824.db2.gz UCYYHSNXRSLERB-LBPRGKRZSA-N -1 0 349.814 3.732 20 0 EHADRM CCSc1cccc(F)c1NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000630569212 968538935 /nfs/dbraw/zinc/53/89/35/968538935.db2.gz NEOGRBXUTVZJCS-WDEREUQCSA-N -1 0 340.420 3.512 20 0 EHADRM Cc1ccc(SCC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c(C)c1 ZINC000655584153 968689392 /nfs/dbraw/zinc/68/93/92/968689392.db2.gz WNXSKCDSKMTASR-SOUVJXGZSA-N -1 0 349.496 3.647 20 0 EHADRM Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)NCCCCC(=O)[O-] ZINC000666543597 968842850 /nfs/dbraw/zinc/84/28/50/968842850.db2.gz XOFLNCHFYYUELW-ZDUSSCGKSA-N -1 0 346.349 3.543 20 0 EHADRM Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)NCCCCC(=O)[O-] ZINC000666543596 968843188 /nfs/dbraw/zinc/84/31/88/968843188.db2.gz XOFLNCHFYYUELW-CYBMUJFWSA-N -1 0 346.349 3.543 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2ccccc2SC(F)(F)F)CCC1 ZINC000738497657 969146407 /nfs/dbraw/zinc/14/64/07/969146407.db2.gz DRIHSSYJRXJWSE-UHFFFAOYSA-N -1 0 348.346 3.675 20 0 EHADRM CSCCCCCCC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000864118550 969317966 /nfs/dbraw/zinc/31/79/66/969317966.db2.gz YUVNHSDNXWYOSL-KRWDZBQOSA-N -1 0 335.469 3.511 20 0 EHADRM Cc1cc2c(CC(=O)N3CCC[C@@H](CC(=O)[O-])C3)csc2s1 ZINC000868435375 969337042 /nfs/dbraw/zinc/33/70/42/969337042.db2.gz XBRSGUSRBPUCTE-NSHDSACASA-N -1 0 337.466 3.527 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2nc(C3CCC3)cs2)C1 ZINC000926109977 969658463 /nfs/dbraw/zinc/65/84/63/969658463.db2.gz OGLGJAMOCOPTHR-INIZCTEOSA-N -1 0 337.445 3.519 20 0 EHADRM COc1ccc2cc(C(=O)N3CCCC[C@H]3CCC(=O)[O-])ccc2c1 ZINC001324646319 969700412 /nfs/dbraw/zinc/70/04/12/969700412.db2.gz KLHHNWZENKGVIX-KRWDZBQOSA-N -1 0 341.407 3.708 20 0 EHADRM Cc1cccc([C@H](NC(=O)Nc2snc3ccccc32)C(=O)[O-])c1 ZINC001594393294 970218412 /nfs/dbraw/zinc/21/84/12/970218412.db2.gz MRQLFXUTGGDDFS-AWEZNQCLSA-N -1 0 341.392 3.552 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)o1 ZINC000317258952 970343068 /nfs/dbraw/zinc/34/30/68/970343068.db2.gz OJQWODXMUFMBMV-UHFFFAOYSA-N -1 0 333.649 3.902 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)C1CCC(F)(F)CC1)CCC2 ZINC000318109576 970410008 /nfs/dbraw/zinc/41/00/08/970410008.db2.gz SNTASDRNSCEFPS-UHFFFAOYSA-N -1 0 329.368 3.699 20 0 EHADRM CCc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)cc(Cl)n1 ZINC000318395738 970431195 /nfs/dbraw/zinc/43/11/95/970431195.db2.gz NHZNVQGBCYYZPZ-UHFFFAOYSA-N -1 0 339.178 3.901 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)c1ccc(Cl)nc1Cl ZINC000318743207 970468020 /nfs/dbraw/zinc/46/80/20/970468020.db2.gz KSKQIFPGPXDVHK-LLVKDONJSA-N -1 0 345.226 3.542 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)c1nc(Cl)ccc1Cl ZINC000318978036 970493473 /nfs/dbraw/zinc/49/34/73/970493473.db2.gz HYYXHBGUVWXPFO-LLVKDONJSA-N -1 0 345.226 3.542 20 0 EHADRM C[C@H](C(=O)[O-])c1noc(-c2[nH]c3ccc(Cl)cc3c2Cl)n1 ZINC001609717991 970494191 /nfs/dbraw/zinc/49/41/91/970494191.db2.gz IIOLJRQLGWHQLB-YFKPBYRVSA-N -1 0 326.139 3.713 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1Cl ZINC000319320595 970523539 /nfs/dbraw/zinc/52/35/39/970523539.db2.gz NQOMXADQXXTNLR-WDEREUQCSA-N -1 0 325.792 3.567 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(C(F)(F)F)nc2)ccc1Cl ZINC000319571722 970549101 /nfs/dbraw/zinc/54/91/01/970549101.db2.gz QXPBMIITFFJUMJ-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM O=C([O-])c1ccccc1OCCSc1ccc(C(F)(F)F)cn1 ZINC000319596074 970551328 /nfs/dbraw/zinc/55/13/28/970551328.db2.gz LETWALAXRDDUOA-UHFFFAOYSA-N -1 0 343.326 3.970 20 0 EHADRM C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000319635192 970556563 /nfs/dbraw/zinc/55/65/63/970556563.db2.gz OGBNBRBPVFOQPL-SECBINFHSA-N -1 0 337.734 3.583 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)CSCc1cccs1)c1ccccc1 ZINC000319677308 970559551 /nfs/dbraw/zinc/55/95/51/970559551.db2.gz ACIBBAOMJYEXMW-OAHLLOKOSA-N -1 0 349.477 3.704 20 0 EHADRM C[C@H]1CCc2c(C(=O)Nc3ccc(F)c(C(=O)[O-])c3)csc2C1 ZINC000319682528 970561124 /nfs/dbraw/zinc/56/11/24/970561124.db2.gz JTPGZFRFKMUWEJ-VIFPVBQESA-N -1 0 333.384 3.963 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CSCCc1ccccc1 ZINC000320127518 970617687 /nfs/dbraw/zinc/61/76/87/970617687.db2.gz FWPYBRULYLOSEF-UHFFFAOYSA-N -1 0 329.421 3.608 20 0 EHADRM COc1ccc(Cl)cc1COc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000320222844 970632962 /nfs/dbraw/zinc/63/29/62/970632962.db2.gz HFEIZBQYSOOQBO-UHFFFAOYSA-N -1 0 337.715 3.534 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(CC(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000320383767 970656863 /nfs/dbraw/zinc/65/68/63/970656863.db2.gz LHCQKNRRRPGFFS-LLVKDONJSA-N -1 0 332.787 3.850 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)[C@@H](C)Oc2cccc(F)c2)s1 ZINC000320402453 970659530 /nfs/dbraw/zinc/65/95/30/970659530.db2.gz LYZBHELZOVJSSC-SECBINFHSA-N -1 0 337.372 3.554 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)CSc1ccc(F)c(F)c1 ZINC000320407980 970660630 /nfs/dbraw/zinc/66/06/30/970660630.db2.gz AOEYMPUYELNJHT-UHFFFAOYSA-N -1 0 337.347 3.702 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)c2cc(F)ccc2Cl)c1F ZINC000320657241 970693834 /nfs/dbraw/zinc/69/38/34/970693834.db2.gz JQCXLJAZLSWZHW-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM Cc1cc(NC(=O)CCCOc2ccccc2C)sc1C(=O)[O-] ZINC000320667181 970694843 /nfs/dbraw/zinc/69/48/43/970694843.db2.gz MMQZREIJZHGINS-UHFFFAOYSA-N -1 0 333.409 3.861 20 0 EHADRM COc1ccc([N+](=O)[O-])cc1COc1cc(Cl)ccc1C(=O)[O-] ZINC000320690185 970699712 /nfs/dbraw/zinc/69/97/12/970699712.db2.gz DBSHWGQJKYTFAA-UHFFFAOYSA-N -1 0 337.715 3.534 20 0 EHADRM CC(C)(C)c1ccc(CSCC(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC001603298023 972572381 /nfs/dbraw/zinc/57/23/81/972572381.db2.gz IFPWLGPCFFTVRA-LJQANCHMSA-N -1 0 349.496 3.541 20 0 EHADRM C[C@@H](OC(=O)[C@]1(C(=O)[O-])CC1(C)C)c1ccc(OC(F)(F)F)cc1 ZINC001604998499 972590181 /nfs/dbraw/zinc/59/01/81/972590181.db2.gz BAHLRBHQWSVANS-RFAUZJTJSA-N -1 0 346.301 3.690 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)C1(Cc2ccccc2Cl)CC1 ZINC001604998560 972591396 /nfs/dbraw/zinc/59/13/96/972591396.db2.gz HPOAMCODAUOEIS-IUODEOHRSA-N -1 0 335.831 3.517 20 0 EHADRM CC1(C)CCc2c(sc(NC(=O)Cc3ccoc3)c2C(=O)[O-])C1 ZINC001603328735 972681253 /nfs/dbraw/zinc/68/12/53/972681253.db2.gz CIOYQXZOXDLSMW-UHFFFAOYSA-N -1 0 333.409 3.735 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccccc2CC(=O)[O-])[C@H]1c1ccco1 ZINC001603334130 972701000 /nfs/dbraw/zinc/70/10/00/972701000.db2.gz KLBFSWPGEGSRFG-INIZCTEOSA-N -1 0 328.368 3.522 20 0 EHADRM Cc1nc(Cl)c(Cl)cc1C(=O)Nc1ccsc1C(=O)[O-] ZINC000394419646 972710573 /nfs/dbraw/zinc/71/05/73/972710573.db2.gz XTLOBKYZVALUAB-UHFFFAOYSA-N -1 0 331.180 3.709 20 0 EHADRM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)[nH]n2)cc1 ZINC000538008527 1032079684 /nfs/dbraw/zinc/07/96/84/1032079684.db2.gz RSUVWPXMSZIYMI-UHFFFAOYSA-N -1 0 349.456 3.655 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1ccc(F)c(C(F)(F)F)c1)C1CCCC1 ZINC001605900495 972723302 /nfs/dbraw/zinc/72/33/02/972723302.db2.gz CSBWRKMCGSFZEF-LBPRGKRZSA-N -1 0 333.281 3.674 20 0 EHADRM O=C([O-])[C@H](C(=O)N[C@@H]1C[C@H]1c1cccc2ccccc21)C1CCCC1 ZINC001605900698 972726381 /nfs/dbraw/zinc/72/63/81/972726381.db2.gz HGBHYUNAKJURTF-OTWHNJEPSA-N -1 0 337.419 3.703 20 0 EHADRM Cc1c(I)cccc1NCCC(C)(C)C(=O)[O-] ZINC000395565157 972805341 /nfs/dbraw/zinc/80/53/41/972805341.db2.gz DUWRYLOSRPSEPY-UHFFFAOYSA-N -1 0 347.196 3.512 20 0 EHADRM Cc1cc(C)cc(Oc2ccc(NC(=O)N[C@@H](C)C(=O)[O-])cc2)c1 ZINC001605157837 972846539 /nfs/dbraw/zinc/84/65/39/972846539.db2.gz PIELNBVUXDVQSY-ZDUSSCGKSA-N -1 0 328.368 3.690 20 0 EHADRM COCc1ccc(NC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cc1 ZINC000396354737 972863912 /nfs/dbraw/zinc/86/39/12/972863912.db2.gz FZATXEGJBMXOTG-GFCCVEGCSA-N -1 0 328.368 3.665 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NCc2cccc(Cl)c2)cc1 ZINC000396425334 972880912 /nfs/dbraw/zinc/88/09/12/972880912.db2.gz GDBXQWRSJSWTIO-LLVKDONJSA-N -1 0 332.787 3.850 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)CSCc2cccs2)cc1 ZINC000396432671 972883367 /nfs/dbraw/zinc/88/33/67/972883367.db2.gz JFUBTRVFIOLHDO-LLVKDONJSA-N -1 0 335.450 3.808 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NCc2ccc(Cl)cc2)cc1 ZINC000396434658 972884433 /nfs/dbraw/zinc/88/44/33/972884433.db2.gz KJZFZVIKHLYMNR-NSHDSACASA-N -1 0 332.787 3.850 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000396470589 972898083 /nfs/dbraw/zinc/89/80/83/972898083.db2.gz YAYOPTMMUIPZAX-LBPRGKRZSA-N -1 0 346.814 3.892 20 0 EHADRM Cc1ccc(-c2cc(NC(=O)C3(C(=O)[O-])C(C)(C)C3(C)C)n[nH]2)s1 ZINC001605231232 972979556 /nfs/dbraw/zinc/97/95/56/972979556.db2.gz ACDLHYQIOCTPNP-UHFFFAOYSA-N -1 0 347.440 3.522 20 0 EHADRM Cc1ccc(C(C)(C)CNC(=O)C2(C(=O)[O-])CCCCC2)c(C)c1 ZINC001605256530 973027103 /nfs/dbraw/zinc/02/71/03/973027103.db2.gz WZNXCALUVTVUIE-UHFFFAOYSA-N -1 0 331.456 3.732 20 0 EHADRM C[C@@H]1CC[C@](C)(/C=C/C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C1(C)C ZINC001603395553 973033623 /nfs/dbraw/zinc/03/36/23/973033623.db2.gz ZZHOQTGKNUPFGX-MFALQXAUSA-N -1 0 333.472 3.574 20 0 EHADRM C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)N(C)CCC(=O)[O-])c2)C1 ZINC001603399928 973050599 /nfs/dbraw/zinc/05/05/99/973050599.db2.gz QTRANZOVFCTNLB-RHSMWYFYSA-N -1 0 348.443 3.720 20 0 EHADRM Cc1ccc(CNC(=O)NCCCCCC(=O)[O-])c2ccccc12 ZINC001605277477 973067207 /nfs/dbraw/zinc/06/72/07/973067207.db2.gz FDIVVMFJHFNXQU-UHFFFAOYSA-N -1 0 328.412 3.592 20 0 EHADRM Cc1ccc2c(ccc(C)c2C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC001605310128 973134850 /nfs/dbraw/zinc/13/48/50/973134850.db2.gz MOUQABCMHCTMBK-GOEBONIOSA-N -1 0 325.408 3.639 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)c2ccccc21 ZINC000398595794 973157403 /nfs/dbraw/zinc/15/74/03/973157403.db2.gz UJUOMDYCJKGXCC-SECBINFHSA-N -1 0 332.306 3.819 20 0 EHADRM Cc1cccc([C@H](NC(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)C(=O)[O-])c1 ZINC001605326879 973163759 /nfs/dbraw/zinc/16/37/59/973163759.db2.gz ASVNMEVBOXFYNG-SQNIBIBYSA-N -1 0 341.382 3.570 20 0 EHADRM CO[C@H](C(=O)[O-])C(=O)N(c1ccccc1)[C@@H](C)c1ccc(Cl)cc1 ZINC001604419733 973173655 /nfs/dbraw/zinc/17/36/55/973173655.db2.gz BTKHASAOMIZEDI-LRDDRELGSA-N -1 0 347.798 3.534 20 0 EHADRM CO[C@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)C1CCCCC1 ZINC001604419727 973174256 /nfs/dbraw/zinc/17/42/56/973174256.db2.gz BTCQCSIFWBETQO-AWEZNQCLSA-N -1 0 343.782 3.711 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)NC2(Cc3ccccc3)CCCC2)co1 ZINC001606062624 973183312 /nfs/dbraw/zinc/18/33/12/973183312.db2.gz GQVISUNNCDAABP-HJWRWDBZSA-N -1 0 339.391 3.663 20 0 EHADRM Cc1cccc([C@@H](NC(=O)[C@@H](C)Sc2ccc(F)cc2)C(=O)[O-])c1 ZINC001605328709 973186476 /nfs/dbraw/zinc/18/64/76/973186476.db2.gz PTMOHSWFCQMHMC-MLGOLLRUSA-N -1 0 347.411 3.557 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)co1 ZINC001606063892 973195606 /nfs/dbraw/zinc/19/56/06/973195606.db2.gz VEKYOBTYNGIYHL-CAUIONCQSA-N -1 0 339.391 3.519 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC001605347111 973243031 /nfs/dbraw/zinc/24/30/31/973243031.db2.gz DNMDSVKLWMBGOP-VHSSKADRSA-N -1 0 338.407 3.668 20 0 EHADRM Cc1ccncc1/C=C\C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001605365913 973300636 /nfs/dbraw/zinc/30/06/36/973300636.db2.gz PNNVGVFZJLGSQT-DJWKRKHSSA-N -1 0 334.734 3.533 20 0 EHADRM Cc1coc2ccc(NC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])cc12 ZINC001605381220 973342576 /nfs/dbraw/zinc/34/25/76/973342576.db2.gz LKMMUYRAKOZAHZ-INIZCTEOSA-N -1 0 338.363 3.559 20 0 EHADRM C/C=C\COc1cccc(CC(=O)Nc2sccc2C(=O)[O-])c1 ZINC001603481650 973390615 /nfs/dbraw/zinc/39/06/15/973390615.db2.gz DCJVVOGJOGALQD-IHWYPQMZSA-N -1 0 331.393 3.582 20 0 EHADRM CC[C@H](CNC(=O)N1CCC[C@]1(CC)CCc1ccccc1)C(=O)[O-] ZINC001603557443 973645526 /nfs/dbraw/zinc/64/55/26/973645526.db2.gz VDWDCKXJZQSKFP-YLJYHZDGSA-N -1 0 346.471 3.684 20 0 EHADRM CC[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])c(F)c1)CC(F)(F)F ZINC000402810602 973650958 /nfs/dbraw/zinc/65/09/58/973650958.db2.gz JQELQTXJWZWFCM-MRVPVSSYSA-N -1 0 336.285 3.624 20 0 EHADRM O=C([O-])[C@H](CNC(=O)/C=C\c1cc(Cl)cc(Cl)c1)CC1CC1 ZINC000405259865 973805663 /nfs/dbraw/zinc/80/56/63/973805663.db2.gz MQPAHMUIYHUGBV-MVZIDQBPSA-N -1 0 342.222 3.624 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)CCc2ccc(Cl)c(F)c2)C1 ZINC001603594307 973820193 /nfs/dbraw/zinc/82/01/93/973820193.db2.gz TYTBMKXYIZNLMU-KRWDZBQOSA-N -1 0 341.810 3.515 20 0 EHADRM CC[C@@]1(CCc2ccccc2)CCCN1C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001603612031 973893485 /nfs/dbraw/zinc/89/34/85/973893485.db2.gz VNRXFGPLSXYJLD-QKLQHJQFSA-N -1 0 329.440 3.501 20 0 EHADRM COc1cc(Cl)ccc1NC(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1 ZINC001604719747 973922011 /nfs/dbraw/zinc/92/20/11/973922011.db2.gz LGDUNYRGRIUDDC-OAHLLOKOSA-N -1 0 348.786 3.604 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001603620169 973923305 /nfs/dbraw/zinc/92/33/05/973923305.db2.gz YKRVQQRNEUAMPN-MNOVXSKESA-N -1 0 337.441 3.674 20 0 EHADRM CC[C@@H]1CCc2c(sc(NC(=O)CCOC(C)C)c2C(=O)[O-])C1 ZINC001603625195 973935039 /nfs/dbraw/zinc/93/50/39/973935039.db2.gz VXHLPRYONGFVDY-LLVKDONJSA-N -1 0 339.457 3.715 20 0 EHADRM CO[C@@H](C)c1nc(C)c(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)s1 ZINC000414462123 973941046 /nfs/dbraw/zinc/94/10/46/973941046.db2.gz ZFEXGPDBFVAUOB-ONGXEEELSA-N -1 0 348.424 3.599 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)NCCCCCC(=O)[O-])cc1C ZINC000414631768 973944203 /nfs/dbraw/zinc/94/42/03/973944203.db2.gz WZFFMOJUSYCXOB-KRWDZBQOSA-N -1 0 332.444 3.795 20 0 EHADRM O=C([O-])C1CCC(Nc2ccc(NC(=O)CC(F)(F)F)cc2)CC1 ZINC000414636653 973945508 /nfs/dbraw/zinc/94/55/08/973945508.db2.gz KNCSLLLYMSMXBB-UHFFFAOYSA-N -1 0 344.333 3.633 20 0 EHADRM O=C([O-])CCCCCNC(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000414647268 973946829 /nfs/dbraw/zinc/94/68/29/973946829.db2.gz SUFLLUJCECFQBH-ZWKOTPCHSA-N -1 0 340.423 3.640 20 0 EHADRM COc1cc2c(cc1NC(=O)NCCCC(=O)[O-])oc1ccccc12 ZINC001604744971 973953538 /nfs/dbraw/zinc/95/35/38/973953538.db2.gz IWSRPNKFLPSREJ-UHFFFAOYSA-N -1 0 342.351 3.581 20 0 EHADRM CCC[C@H](OC)C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](CC)C2 ZINC001603634062 973966750 /nfs/dbraw/zinc/96/67/50/973966750.db2.gz VWGTVFHKJXBVTN-JQWIXIFHSA-N -1 0 339.457 3.715 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2sc3ncccc3c2Cl)cc1 ZINC001606489164 973971565 /nfs/dbraw/zinc/97/15/65/973971565.db2.gz ORHGHJSAQTUKHX-UHFFFAOYSA-N -1 0 346.795 3.578 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N2CCC[C@H]2CC2CCCC2)cc1 ZINC001606489311 973972610 /nfs/dbraw/zinc/97/26/10/973972610.db2.gz VPVGRKJPZNYMBQ-KRWDZBQOSA-N -1 0 330.428 3.639 20 0 EHADRM O=C([O-])c1cccc(CNCc2cc(-c3ccc(F)cc3F)on2)c1 ZINC001606513556 974007271 /nfs/dbraw/zinc/00/72/71/974007271.db2.gz RBKGEJCPWXWPSJ-UHFFFAOYSA-N -1 0 344.317 3.608 20 0 EHADRM CCCCOc1ccc(CCNC(=O)C2(C(=O)[O-])CCCCC2)cc1 ZINC001603652619 974016787 /nfs/dbraw/zinc/01/67/87/974016787.db2.gz VPDDFBLRKYHRAR-UHFFFAOYSA-N -1 0 347.455 3.559 20 0 EHADRM CC(C)(CCNC(=O)c1cccc(Nc2ccccc2)c1)C(=O)[O-] ZINC000424228646 974020596 /nfs/dbraw/zinc/02/05/96/974020596.db2.gz IMKQWEZTARZJHA-UHFFFAOYSA-N -1 0 326.396 3.661 20 0 EHADRM CCCn1ccc2cc(NC(=O)NCCC(C)(C)C(=O)[O-])ccc21 ZINC000424387904 974025129 /nfs/dbraw/zinc/02/51/29/974025129.db2.gz YBMHWUHMQQWOHF-UHFFFAOYSA-N -1 0 331.416 3.674 20 0 EHADRM COc1cc(NC(=O)c2cc(C)ccc2C2CC2)ccc1C(=O)[O-] ZINC000425248333 974040909 /nfs/dbraw/zinc/04/09/09/974040909.db2.gz BMADENMCQSTFIF-UHFFFAOYSA-N -1 0 325.364 3.832 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)c1cccc(OCc2cccc(Cl)c2)c1 ZINC000427675938 974054678 /nfs/dbraw/zinc/05/46/78/974054678.db2.gz BUWXJIXFOBETJN-LBPRGKRZSA-N -1 0 347.798 3.512 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000431805840 974075718 /nfs/dbraw/zinc/07/57/18/974075718.db2.gz XEOLEFMYVKVABU-JTQLQIEISA-N -1 0 335.762 3.995 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccc3nc(C4CC4)sc3c2)n1 ZINC000432101768 974086877 /nfs/dbraw/zinc/08/68/77/974086877.db2.gz DBIPTELFPDCCGG-UHFFFAOYSA-N -1 0 339.376 3.519 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)c3cccc(C(=O)[O-])n3)cn2)cc1 ZINC000432132707 974091449 /nfs/dbraw/zinc/09/14/49/974091449.db2.gz GFLTYEMYMVDKAP-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM Cc1cc2cc(C(=O)N[C@@]3(C)CCCC[C@@H]3C(=O)[O-])oc2cc1C ZINC000432139404 974092484 /nfs/dbraw/zinc/09/24/84/974092484.db2.gz KXWQWBWXPBINIJ-KUHUBIRLSA-N -1 0 329.396 3.813 20 0 EHADRM COc1ccc2cc(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)ccc2c1 ZINC001604851789 974092769 /nfs/dbraw/zinc/09/27/69/974092769.db2.gz UVKADLBVPILKAB-AWEZNQCLSA-N -1 0 343.423 3.715 20 0 EHADRM CCN(C(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccc(OC)cc1 ZINC001603715147 974131391 /nfs/dbraw/zinc/13/13/91/974131391.db2.gz COVWPBLBBUIMJX-UHFFFAOYSA-N -1 0 332.331 3.591 20 0 EHADRM CCCC[C@@H](C)C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000450508440 974145640 /nfs/dbraw/zinc/14/56/40/974145640.db2.gz ZSZTXYNTSAOUNQ-GFCCVEGCSA-N -1 0 327.371 3.594 20 0 EHADRM CSCCCCNC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000455839090 974153365 /nfs/dbraw/zinc/15/33/65/974153365.db2.gz CILNVPPOFJQGMS-UHFFFAOYSA-N -1 0 343.448 3.925 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)COc1ccc(Cl)cc1 ZINC000472004242 974199471 /nfs/dbraw/zinc/19/94/71/974199471.db2.gz XEUFTEVFOSHQAZ-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM CCC[C@@H](Cc1ccccc1)NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000478854134 974212189 /nfs/dbraw/zinc/21/21/89/974212189.db2.gz YHZTUQBOPWAPCK-HNNXBMFYSA-N -1 0 329.371 3.665 20 0 EHADRM CCC[C@H](Cc1ccccc1)NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000478854136 974212194 /nfs/dbraw/zinc/21/21/94/974212194.db2.gz YHZTUQBOPWAPCK-OAHLLOKOSA-N -1 0 329.371 3.665 20 0 EHADRM Cc1oc(CN(C)C(=O)/C=C\c2ccccc2Cl)cc1C(=O)[O-] ZINC000492157508 974257825 /nfs/dbraw/zinc/25/78/25/974257825.db2.gz SUWLQNJIILFFAI-FPLPWBNLSA-N -1 0 333.771 3.611 20 0 EHADRM O=C([O-])c1ccc(N2CCC(Sc3ccc(Cl)cc3)CC2)nn1 ZINC000517033620 974313820 /nfs/dbraw/zinc/31/38/20/974313820.db2.gz XJYHWVUBYIVSHN-UHFFFAOYSA-N -1 0 349.843 3.589 20 0 EHADRM CCO[C@H](CNC(=O)Nc1ccc(C(=O)[O-])c(C)c1)c1ccccc1 ZINC001603824357 974314918 /nfs/dbraw/zinc/31/49/18/974314918.db2.gz NADNKGBJZFFWDP-QGZVFWFLSA-N -1 0 342.395 3.593 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)NC[C@@H](CC3CC3)C(=O)[O-])s2)o1 ZINC000519714041 974333457 /nfs/dbraw/zinc/33/34/57/974333457.db2.gz WGLWUAFEKZVPKM-GFCCVEGCSA-N -1 0 333.409 3.547 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000532257651 974372734 /nfs/dbraw/zinc/37/27/34/974372734.db2.gz RLIZVUDVRMOAHT-UHFFFAOYSA-N -1 0 348.424 3.599 20 0 EHADRM COc1ccc(SCCC(=O)Nc2ccc(C)cc2C(=O)[O-])cc1 ZINC000542517458 974415104 /nfs/dbraw/zinc/41/51/04/974415104.db2.gz BEGJXLJKTRAPEU-UHFFFAOYSA-N -1 0 345.420 3.823 20 0 EHADRM CN(Cc1c(F)cccc1Cl)C(=O)CCc1ccccc1C(=O)[O-] ZINC000554279028 974482537 /nfs/dbraw/zinc/48/25/37/974482537.db2.gz AOVXAXUKHFDMON-UHFFFAOYSA-N -1 0 349.789 3.769 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2CCc3cc(F)ccc32)cc1 ZINC000563452110 974533115 /nfs/dbraw/zinc/53/31/15/974533115.db2.gz ZNFWVLJACKEQRB-APPDUMDISA-N -1 0 327.355 3.682 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(c2ccnc(C3CC3)n2)CC1 ZINC000563959868 974542458 /nfs/dbraw/zinc/54/24/58/974542458.db2.gz JTUXWWLIXJRFBF-UHFFFAOYSA-N -1 0 337.423 3.511 20 0 EHADRM O=C([O-])c1ccc(CN2CCSC[C@H]2c2ccc(Cl)cc2)nc1 ZINC000566361424 974609579 /nfs/dbraw/zinc/60/95/79/974609579.db2.gz JXCASWKMZPNCHF-INIZCTEOSA-N -1 0 348.855 3.723 20 0 EHADRM CCCc1cc(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)sc1C ZINC000566701880 974619971 /nfs/dbraw/zinc/61/99/71/974619971.db2.gz ODNVPGCKQAUSEF-LJQANCHMSA-N -1 0 345.464 3.781 20 0 EHADRM CN(CCOc1cccc(Cl)c1)[C@@H](C(=O)[O-])c1ccsc1 ZINC000568060289 974655556 /nfs/dbraw/zinc/65/55/56/974655556.db2.gz ZQNNSEIVBQPRMF-CQSZACIVSA-N -1 0 325.817 3.538 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1-c1cc(F)ccc1OC[C@@H]1CCOC1 ZINC000568414224 974669902 /nfs/dbraw/zinc/66/99/02/974669902.db2.gz FRJVUJBQSURBJO-CYBMUJFWSA-N -1 0 330.355 3.915 20 0 EHADRM CCc1cccc(OCC(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC000568466044 974671386 /nfs/dbraw/zinc/67/13/86/974671386.db2.gz HRGLMWTVRYDDRN-AWEZNQCLSA-N -1 0 341.407 3.530 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)NCC[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000568664181 974676913 /nfs/dbraw/zinc/67/69/13/974676913.db2.gz MRMRVJKMXYRLAQ-NEPJUHHUSA-N -1 0 345.361 3.816 20 0 EHADRM COc1cc2c(cc1Cl)CN([C@H](C)c1ccc(C(=O)[O-])o1)CC2 ZINC000568902416 974680742 /nfs/dbraw/zinc/68/07/42/974680742.db2.gz JJYQDZJGHCHASB-SNVBAGLBSA-N -1 0 335.787 3.759 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000569384072 974691166 /nfs/dbraw/zinc/69/11/66/974691166.db2.gz JJDRXPSIHQPCOR-UZLBHIALSA-N -1 0 331.456 3.752 20 0 EHADRM O=C([O-])[C@@H](c1cccnc1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000574332978 974780673 /nfs/dbraw/zinc/78/06/73/974780673.db2.gz YYVFHIPWRWDWFD-GDBMZVCRSA-N -1 0 339.420 3.654 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(NC[C@@H](C)c3nccs3)c12 ZINC000576043551 974807046 /nfs/dbraw/zinc/80/70/46/974807046.db2.gz PWURSLSPLMAWJH-SSDOTTSWSA-N -1 0 348.453 3.678 20 0 EHADRM O=C([O-])CCC1CCN(c2nn3cc(C4CCCC4)nc3s2)CC1 ZINC000580452116 974894647 /nfs/dbraw/zinc/89/46/47/974894647.db2.gz RRSQAQQDQFNDEO-UHFFFAOYSA-N -1 0 348.472 3.530 20 0 EHADRM O=C([O-])[C@@H](c1cccnc1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000584296789 974952865 /nfs/dbraw/zinc/95/28/65/974952865.db2.gz IOEFNWOIJRDTME-OAHLLOKOSA-N -1 0 337.206 3.572 20 0 EHADRM Cc1c(Cl)cccc1C(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000584612141 974956721 /nfs/dbraw/zinc/95/67/21/974956721.db2.gz LSIJFJJXSNJADV-IBGZPJMESA-N -1 0 343.810 3.517 20 0 EHADRM Cc1c(CSC(C)C)cccc1NC(=O)NCC1(C(=O)[O-])CC1 ZINC000596059546 974999518 /nfs/dbraw/zinc/99/95/18/974999518.db2.gz PXQBCDZNSDODRI-UHFFFAOYSA-N -1 0 336.457 3.623 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000621579585 975040503 /nfs/dbraw/zinc/04/05/03/975040503.db2.gz RJPZRRLDULCBDE-HNNXBMFYSA-N -1 0 329.440 3.876 20 0 EHADRM C[C@H](NC(=O)C1CC(C)(C)CC(C)(C)C1)c1ncc(C(=O)[O-])s1 ZINC000621612626 975061491 /nfs/dbraw/zinc/06/14/91/975061491.db2.gz GDIRQWWKWHYNFV-JTQLQIEISA-N -1 0 338.473 3.871 20 0 EHADRM O=C([O-])CCCCCNC(=O)N[C@@H]1CCCc2ccc(Cl)cc21 ZINC000626767055 975070528 /nfs/dbraw/zinc/07/05/28/975070528.db2.gz YFOTXJHUDFFKPA-OAHLLOKOSA-N -1 0 338.835 3.662 20 0 EHADRM O=C([O-])c1ccc(F)c2c1CN(c1ccc(C(F)(F)F)cn1)CC2 ZINC000629384545 975092966 /nfs/dbraw/zinc/09/29/66/975092966.db2.gz WQPQUURCHQHLAL-UHFFFAOYSA-N -1 0 340.276 3.500 20 0 EHADRM CC[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)cc1)C(C)(C)C ZINC000630097555 975099363 /nfs/dbraw/zinc/09/93/63/975099363.db2.gz JHVJXOVDHQULOK-HOCLYGCPSA-N -1 0 335.444 3.790 20 0 EHADRM Cc1cc(C(F)F)oc1C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000630130233 975115524 /nfs/dbraw/zinc/11/55/24/975115524.db2.gz JJEQWWDEZZZTJV-ZWNOBZJWSA-N -1 0 337.322 3.717 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12 ZINC000630130616 975115560 /nfs/dbraw/zinc/11/55/60/975115560.db2.gz KPPOOCSSPCJHDL-USXIJHARSA-N -1 0 341.794 3.871 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)cc1C(=O)[O-] ZINC000630131814 975116371 /nfs/dbraw/zinc/11/63/71/975116371.db2.gz JNQPSJPEHJTJRS-HZPDHXFCSA-N -1 0 341.407 3.829 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CCCC23CC3)C[C@H]1c1ccc(Cl)cc1 ZINC000630172800 975142243 /nfs/dbraw/zinc/14/22/43/975142243.db2.gz FHVRSNVFIMXEFZ-ARFHVFGLSA-N -1 0 347.842 3.547 20 0 EHADRM COc1cc(NC(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)ccc1C(=O)[O-] ZINC000630184359 975146195 /nfs/dbraw/zinc/14/61/95/975146195.db2.gz LVWHEVPFMHVVRE-GJZGRUSLSA-N -1 0 343.354 3.665 20 0 EHADRM Cc1ccc(C)c(S([O-])=CC(=O)N[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000107966690 1014239294 /nfs/dbraw/zinc/23/92/94/1014239294.db2.gz IDEKHUAVDSJRKZ-PSLXWICFSA-N -1 0 349.883 3.942 20 0 EHADRM CCCc1ccc(C(=O)N[C@@H](C)c2ccc(OCC(=O)[O-])cc2)s1 ZINC000630189589 975149137 /nfs/dbraw/zinc/14/91/37/975149137.db2.gz MHJZSZGCVTYJFS-LBPRGKRZSA-N -1 0 347.436 3.655 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1C(=O)NC1(CC(=O)[O-])CC1 ZINC000630200395 975157137 /nfs/dbraw/zinc/15/71/37/975157137.db2.gz QEDTVPRCVMIQET-UHFFFAOYSA-N -1 0 325.364 3.524 20 0 EHADRM Cc1cc(C(=O)N(Cc2ccccc2F)CC(C)C)oc1C(=O)[O-] ZINC000630227596 975175456 /nfs/dbraw/zinc/17/54/56/975175456.db2.gz PKURHJZNOODBEL-UHFFFAOYSA-N -1 0 333.359 3.724 20 0 EHADRM CC(C)(NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1nc2ccccc2s1 ZINC000630232291 975180069 /nfs/dbraw/zinc/18/00/69/975180069.db2.gz IQCZSJOXECRXHS-RYUDHWBXSA-N -1 0 346.452 3.539 20 0 EHADRM CC[C@H](C(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1)c1ccccc1 ZINC000630237925 975182957 /nfs/dbraw/zinc/18/29/57/975182957.db2.gz FHCPRUPPJGQTSP-AWEZNQCLSA-N -1 0 341.382 3.602 20 0 EHADRM CC(C)c1occc1C(=O)N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000630245356 975191266 /nfs/dbraw/zinc/19/12/66/975191266.db2.gz RKBUPQDQDVQLBT-UHFFFAOYSA-N -1 0 348.424 3.578 20 0 EHADRM CC(C)C[C@@H](C)CC(=O)N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000630245490 975191951 /nfs/dbraw/zinc/19/19/51/975191951.db2.gz JNYIOGMPWQDZLS-GFCCVEGCSA-N -1 0 338.473 3.620 20 0 EHADRM O=C([O-])[C@H](CNC(=O)CCc1ccc(Cl)s1)C1CCCCC1 ZINC000630263782 975207267 /nfs/dbraw/zinc/20/72/67/975207267.db2.gz BPOAUVMSPSEPSN-CYBMUJFWSA-N -1 0 343.876 3.731 20 0 EHADRM O=C([O-])[C@H](CNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)C1CCCCC1 ZINC000630267694 975211103 /nfs/dbraw/zinc/21/11/03/975211103.db2.gz QZNIWTAKSRWNAQ-MCIONIFRSA-N -1 0 349.393 3.752 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC000630278203 975222625 /nfs/dbraw/zinc/22/26/25/975222625.db2.gz GEEUYEXIAWJSQT-IPYPFGDCSA-N -1 0 345.370 3.596 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NC[C@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000630291228 975233754 /nfs/dbraw/zinc/23/37/54/975233754.db2.gz YESDFVMBXXEDOJ-MELADBBJSA-N -1 0 335.469 3.808 20 0 EHADRM CN(C(=O)c1cccc(C(=O)[O-])n1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000630295522 975235182 /nfs/dbraw/zinc/23/51/82/975235182.db2.gz GKPPIFRGOVVFDI-YJBOKZPZSA-N -1 0 338.407 3.578 20 0 EHADRM Cc1cc(C)c2c(c1)CN(C(=O)CCc1ccc(C(=O)[O-])cc1)CC2 ZINC000630301316 975239771 /nfs/dbraw/zinc/23/97/71/975239771.db2.gz JFWUUHITQGXRNH-UHFFFAOYSA-N -1 0 337.419 3.519 20 0 EHADRM CCOc1ccc(N(CC2CC2)C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000630304273 975241027 /nfs/dbraw/zinc/24/10/27/975241027.db2.gz GNCYWNLPONGLKM-CVEARBPZSA-N -1 0 345.439 3.719 20 0 EHADRM Cc1ccc(C)c(OCC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c1 ZINC000630327749 975254655 /nfs/dbraw/zinc/25/46/55/975254655.db2.gz UIIZUQUQZYLMKE-DLBZAZTESA-N -1 0 339.391 3.509 20 0 EHADRM CC(C)(C)c1ccc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)nc1 ZINC000630331412 975259295 /nfs/dbraw/zinc/25/92/95/975259295.db2.gz ZEZIGLYWUBGBGA-JKSUJKDBSA-N -1 0 338.407 3.820 20 0 EHADRM Cc1ccc(-c2nc(C[N@H+]3CC[C@H](C)[C@@H](C(=O)[O-])C3)cs2)cc1 ZINC000579711666 1014247872 /nfs/dbraw/zinc/24/78/72/1014247872.db2.gz HMDJYJGLGZKUME-BBRMVZONSA-N -1 0 330.453 3.661 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)C2CCC=CCC2)cc1 ZINC000634803651 975276309 /nfs/dbraw/zinc/27/63/09/975276309.db2.gz FOINJZAWFZWWNF-INIZCTEOSA-N -1 0 333.453 3.787 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)C2CCC=CCC2)cc1 ZINC000634803652 975276736 /nfs/dbraw/zinc/27/67/36/975276736.db2.gz FOINJZAWFZWWNF-MRXNPFEDSA-N -1 0 333.453 3.787 20 0 EHADRM CCCN(C(=O)c1ccc(C(=O)[O-])cn1)[C@H](CC)c1ccccc1 ZINC000642210905 975291509 /nfs/dbraw/zinc/29/15/09/975291509.db2.gz GOXPOFBOYFZVNC-QGZVFWFLSA-N -1 0 326.396 3.783 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@@H](C)c2ccc(Cl)cc2)c(C)c1 ZINC000107971097 1014249739 /nfs/dbraw/zinc/24/97/39/1014249739.db2.gz ZKSUJGFWHACVSE-LFVRLGFBSA-N -1 0 349.883 3.942 20 0 EHADRM COCc1cc(NC(=O)c2ccc(OC(C)C)cc2)cc(C(=O)[O-])c1 ZINC000644631772 975327041 /nfs/dbraw/zinc/32/70/41/975327041.db2.gz RODMGMKKMUDUNI-UHFFFAOYSA-N -1 0 343.379 3.571 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N(Cc2ccccc2)C(C)C)c(C)c1 ZINC000107970949 1014259581 /nfs/dbraw/zinc/25/95/81/1014259581.db2.gz OJWUDOUWUXZPEB-DEOSSOPVSA-N -1 0 343.492 3.848 20 0 EHADRM O=C([O-])c1cnc(N2CCC[C@H](Nc3ccccc3)C2)c(Cl)c1 ZINC000647451804 975364178 /nfs/dbraw/zinc/36/41/78/975364178.db2.gz HVPKNBPLEVRFSS-AWEZNQCLSA-N -1 0 331.803 3.514 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCCC[C@@H]1C1CC1)c1ccc(OCC(=O)[O-])cc1 ZINC000649251151 975389162 /nfs/dbraw/zinc/38/91/62/975389162.db2.gz MEESLKPZJZNNGR-VHSSKADRSA-N -1 0 345.439 3.544 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)NC1(c2cccc(Cl)c2)CCC1 ZINC000649265563 975406465 /nfs/dbraw/zinc/40/64/65/975406465.db2.gz HZRNZSIMHJOTKL-UHFFFAOYSA-N -1 0 343.810 3.776 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2CCCC(C)(C)C2)cc1 ZINC000649353235 975407373 /nfs/dbraw/zinc/40/73/73/975407373.db2.gz OYPFBSRDIFUNNQ-HOCLYGCPSA-N -1 0 333.428 3.544 20 0 EHADRM CC(C)Nc1ccc(F)cc1NC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001591671726 975431615 /nfs/dbraw/zinc/43/16/15/975431615.db2.gz GNELJQUIBQKXKX-UHFFFAOYSA-N -1 0 330.359 3.525 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)NC2(c3ccccc3Cl)CCC2)CC1 ZINC000652081361 975477342 /nfs/dbraw/zinc/47/73/42/975477342.db2.gz PYVLOXINDADNJA-JOCQHMNTSA-N -1 0 335.831 3.726 20 0 EHADRM CC(C)O[C@@H](C(=O)O[C@@H](C)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC001591687108 975500595 /nfs/dbraw/zinc/50/05/95/975500595.db2.gz UOCMLOLJRNPFST-BLLLJJGKSA-N -1 0 332.352 3.748 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2Cc2ccccc2F)CC1 ZINC000652121629 975508440 /nfs/dbraw/zinc/50/84/40/975508440.db2.gz PUEGRSMWDMSBRU-ZOBUZTSGSA-N -1 0 347.430 3.640 20 0 EHADRM CC(C)OC1(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)CCC1 ZINC001591693228 975508370 /nfs/dbraw/zinc/50/83/70/975508370.db2.gz PJAFYESTEZHZEQ-UHFFFAOYSA-N -1 0 327.380 3.824 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@H]2CCCc3ccccc32)c(C)c1 ZINC000107971745 1014268773 /nfs/dbraw/zinc/26/87/73/1014268773.db2.gz NOSGGIFFBFOMBH-MHECFPHRSA-N -1 0 341.476 3.605 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)c2sccc2C2CC2)c2ccccc21 ZINC000653335386 975592043 /nfs/dbraw/zinc/59/20/43/975592043.db2.gz OPCRBSBMZGLOFZ-CABCVRRESA-N -1 0 327.405 3.669 20 0 EHADRM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1cccc(CC(=O)[O-])c1 ZINC000653636327 975599835 /nfs/dbraw/zinc/59/98/35/975599835.db2.gz BSZNMJFALCCSJT-HNNXBMFYSA-N -1 0 337.419 3.755 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N2CCC[C@@H]2CC2CCCCC2)c1 ZINC000653639221 975604451 /nfs/dbraw/zinc/60/44/51/975604451.db2.gz GEYBVYAAOKPJDM-GOSISDBHSA-N -1 0 329.440 3.889 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)c1 ZINC000653639180 975604678 /nfs/dbraw/zinc/60/46/78/975604678.db2.gz BIBCCRFPJCPOLP-MOPGFXCFSA-N -1 0 337.419 3.770 20 0 EHADRM CC(C)(CNC(=O)c1cccc(CC(=O)[O-])c1)c1ccccc1Cl ZINC000653640082 975605927 /nfs/dbraw/zinc/60/59/27/975605927.db2.gz LTDVARYDMCZQKX-UHFFFAOYSA-N -1 0 345.826 3.675 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2cccc(CC(=O)[O-])c2)C1 ZINC000653641550 975607747 /nfs/dbraw/zinc/60/77/47/975607747.db2.gz PHSGHYGMPOAMIC-MAUKXSAKSA-N -1 0 337.419 3.640 20 0 EHADRM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2cccc(CC(=O)[O-])c2)C1 ZINC000653641551 975609486 /nfs/dbraw/zinc/60/94/86/975609486.db2.gz PHSGHYGMPOAMIC-QAPCUYQASA-N -1 0 337.419 3.640 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)CCCc2c(F)cccc2F)c2ccccc21 ZINC000656239148 975653434 /nfs/dbraw/zinc/65/34/34/975653434.db2.gz YOBGNDCSJMIMLQ-CQSZACIVSA-N -1 0 345.345 3.503 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1ccc(C2CC2)cc1 ZINC000656475375 975659551 /nfs/dbraw/zinc/65/95/51/975659551.db2.gz SRTVPMQQCJNZGS-UHFFFAOYSA-N -1 0 325.364 3.588 20 0 EHADRM CC(C)OCc1ccc(NC(=O)NC2(CC(=O)[O-])CCCCC2)cc1 ZINC001591731153 975706131 /nfs/dbraw/zinc/70/61/31/975706131.db2.gz QADAHPMOHYLZHU-UHFFFAOYSA-N -1 0 348.443 3.911 20 0 EHADRM CC(C)OCc1ccc(C(=O)Nc2ncc(C(=O)[O-])cc2Cl)cc1 ZINC001591731515 975711023 /nfs/dbraw/zinc/71/10/23/975711023.db2.gz ZJNNNXADUCQEPI-UHFFFAOYSA-N -1 0 348.786 3.611 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)CC2(C)CCCCC2)cc1 ZINC000659117581 975713216 /nfs/dbraw/zinc/71/32/16/975713216.db2.gz IAPNZDOUYALYMG-INIZCTEOSA-N -1 0 333.428 3.688 20 0 EHADRM CCCCc1nc2cc(NC(=O)c3cc(C(=O)[O-])oc3C)ccc2[nH]1 ZINC000659120290 975717482 /nfs/dbraw/zinc/71/74/82/975717482.db2.gz PJKLORUERHZRKB-UHFFFAOYSA-N -1 0 341.367 3.757 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CC[C@@](C)(CCc2ccccc2)C1 ZINC000659123048 975723069 /nfs/dbraw/zinc/72/30/69/975723069.db2.gz KWGYPPSAVADCQM-HXUWFJFHSA-N -1 0 341.407 3.771 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000659146049 975745822 /nfs/dbraw/zinc/74/58/22/975745822.db2.gz GVKVUUQYKXLEQY-LBPRGKRZSA-N -1 0 325.364 3.577 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000659147480 975747909 /nfs/dbraw/zinc/74/79/09/975747909.db2.gz QAQSPFAJQPSWOP-FZMZJTMJSA-N -1 0 331.393 3.587 20 0 EHADRM C[C@H](NC(=O)C1[C@@H]2CCCCCC[C@@H]12)c1ccc(OCC(=O)[O-])cc1 ZINC000659155446 975755417 /nfs/dbraw/zinc/75/54/17/975755417.db2.gz COLUMGNWLKFEER-IAOVAPTHSA-N -1 0 345.439 3.544 20 0 EHADRM Cc1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1C ZINC000659159280 975759293 /nfs/dbraw/zinc/75/92/93/975759293.db2.gz WXKPOCJZXURDAH-DLBZAZTESA-N -1 0 341.382 3.812 20 0 EHADRM CC1(C)CC[C@H]1C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000659159946 975759317 /nfs/dbraw/zinc/75/93/17/975759317.db2.gz DYVRCKCZXLMNAD-NWDGAFQWSA-N -1 0 329.318 3.541 20 0 EHADRM CC(C)Oc1c(NC(=O)N[C@@H](C)c2ccns2)cccc1C(=O)[O-] ZINC001591743876 975764106 /nfs/dbraw/zinc/76/41/06/975764106.db2.gz GBJLUKODCJQSDZ-JTQLQIEISA-N -1 0 349.412 3.511 20 0 EHADRM CC1(C)CCCC[C@H]1CC(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC000659164948 975764458 /nfs/dbraw/zinc/76/44/58/975764458.db2.gz ANWJEWANWSPVDW-AGIUHOORSA-N -1 0 349.393 3.705 20 0 EHADRM O=C([O-])c1ccc2c(c1)[C@@H](CNC(=O)c1ccccc1Cl)CCC2 ZINC000659183994 975779777 /nfs/dbraw/zinc/77/97/77/975779777.db2.gz GQQDLRKMRCSQDH-CQSZACIVSA-N -1 0 343.810 3.888 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CCCc3ccccc32)[C@H]2CCCC[C@@H]12 ZINC000659191331 975788379 /nfs/dbraw/zinc/78/83/79/975788379.db2.gz CEENUHHLPHQSIR-MANSERQUSA-N -1 0 341.451 3.598 20 0 EHADRM C[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21)c1cccc(Cl)c1 ZINC000659192279 975790619 /nfs/dbraw/zinc/79/06/19/975790619.db2.gz FXTYGROWEOECJX-STECZYCISA-N -1 0 349.858 3.935 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCc2ccc(Cl)cc2)[C@H]2CCCC[C@@H]12 ZINC000659194960 975796706 /nfs/dbraw/zinc/79/67/06/975796706.db2.gz NRTDFISPVNXIDZ-BBWFWOEESA-N -1 0 349.858 3.765 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CCC[C@@H](C)[C@@H]1C ZINC001591763209 975864931 /nfs/dbraw/zinc/86/49/31/975864931.db2.gz JDGGQYILXUAUOS-OLZOCXBDSA-N -1 0 334.416 3.824 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N[C@H]1CCC(C)(C)C1 ZINC001591767109 975876492 /nfs/dbraw/zinc/87/64/92/975876492.db2.gz GYTCTWWSNBFWOM-ZDUSSCGKSA-N -1 0 334.416 3.872 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NCC1CC(C)(C)C1 ZINC001591767180 975877932 /nfs/dbraw/zinc/87/79/32/975877932.db2.gz JCXMQIIBWVBSQU-UHFFFAOYSA-N -1 0 334.416 3.730 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NCC(C)(C)C(C)C ZINC001591767861 975884160 /nfs/dbraw/zinc/88/41/60/975884160.db2.gz SSEBZTWOGMXGDP-UHFFFAOYSA-N -1 0 336.432 3.976 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NCCC1CC=CC1 ZINC001591769655 975894751 /nfs/dbraw/zinc/89/47/51/975894751.db2.gz UGABLTOHUQDAQS-UHFFFAOYSA-N -1 0 332.400 3.650 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1Cc1ncc(Cl)cc1Cl ZINC000662238543 975910715 /nfs/dbraw/zinc/91/07/15/975910715.db2.gz SFGHFZGVRMCNDP-HNNXBMFYSA-N -1 0 337.206 3.572 20 0 EHADRM CC(C)Oc1ccc(Cl)cc1C(=O)N[C@H](CC(C)(C)C)C(=O)[O-] ZINC001591775805 975920399 /nfs/dbraw/zinc/92/03/99/975920399.db2.gz WEBKSVOWJOGZKP-CYBMUJFWSA-N -1 0 341.835 3.746 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)c(F)c1 ZINC001591786346 975954677 /nfs/dbraw/zinc/95/46/77/975954677.db2.gz CYMNCWYLXCVZQS-AWEZNQCLSA-N -1 0 340.395 3.624 20 0 EHADRM C[C@H](C(=O)N1CCCC[C@H]1C(=O)[O-])c1c(Cl)cccc1Cl ZINC000666361799 975959984 /nfs/dbraw/zinc/95/99/84/975959984.db2.gz WWVMAJXIPSOHJA-CABZTGNLSA-N -1 0 330.211 3.563 20 0 EHADRM CO[C@H]1CCC[C@@H](CC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000668272580 975979253 /nfs/dbraw/zinc/97/92/53/975979253.db2.gz HTWQEXARNOXCOG-PWSUYJOCSA-N -1 0 325.792 3.572 20 0 EHADRM CSc1cc(C)c(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])o1 ZINC000668272295 975979664 /nfs/dbraw/zinc/97/96/64/975979664.db2.gz BSUCMIIAPARTJM-RISCZKNCSA-N -1 0 333.409 3.502 20 0 EHADRM CO[C@@H]1CCC[C@@H](CC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C1 ZINC000668277206 975982391 /nfs/dbraw/zinc/98/23/91/975982391.db2.gz BHAJUMUCPHRNKF-CZUORRHYSA-N -1 0 333.428 3.583 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1C[C@H](c2ccc(C)cc2)C[C@@H]1C ZINC000668300545 975991080 /nfs/dbraw/zinc/99/10/80/975991080.db2.gz PZRNLJDWXDWQMJ-SWLSCSKDSA-N -1 0 327.380 3.613 20 0 EHADRM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1cccc(C(=O)[O-])c1 ZINC000668299005 975991495 /nfs/dbraw/zinc/99/14/95/975991495.db2.gz QHQIMFIBMGOTIE-KRWDZBQOSA-N -1 0 327.380 3.617 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)cc1 ZINC000675946792 976017491 /nfs/dbraw/zinc/01/74/91/976017491.db2.gz RRHIAIADBNMESU-BQFCYCMXSA-N -1 0 345.439 3.566 20 0 EHADRM O=C([O-])CN(C(=O)CCc1cc(Cl)cs1)C1CCCCC1 ZINC000675994110 976025764 /nfs/dbraw/zinc/02/57/64/976025764.db2.gz SQPZYLAJEOMNJA-UHFFFAOYSA-N -1 0 329.849 3.580 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)CCCc1csc2ccccc12)C(=O)[O-] ZINC000678978885 976033709 /nfs/dbraw/zinc/03/37/09/976033709.db2.gz MSZNZVDYJXUVCV-INIZCTEOSA-N -1 0 333.453 3.840 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)NCC2(CC(=O)[O-])CCCCC2)cc1 ZINC000679098208 976042309 /nfs/dbraw/zinc/04/23/09/976042309.db2.gz SAQPOFZUTXUPJG-OAHLLOKOSA-N -1 0 331.456 3.894 20 0 EHADRM CC(C)c1ccc(SCC(=O)N2CCCC[C@@H]2CC(=O)[O-])cc1 ZINC000679396350 976049221 /nfs/dbraw/zinc/04/92/21/976049221.db2.gz HEUFLWIDRWSPHZ-OAHLLOKOSA-N -1 0 335.469 3.758 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])[C@@H]1COC[C@H]1c1ccccc1 ZINC001625779031 1014303560 /nfs/dbraw/zinc/30/35/60/1014303560.db2.gz HLVFKCQNVPGDQV-QWHCGFSZSA-N -1 0 335.762 3.553 20 0 EHADRM CC(C)Cc1ncc(CN[C@H](C(=O)[O-])c2cc(F)ccc2F)s1 ZINC000683174657 976080206 /nfs/dbraw/zinc/08/02/06/976080206.db2.gz WFJVJQRIEOKFQN-HNNXBMFYSA-N -1 0 340.395 3.535 20 0 EHADRM O=C([O-])C1(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)CCCCC1 ZINC000683330283 976088372 /nfs/dbraw/zinc/08/83/72/976088372.db2.gz JPGFUXUQFRMFJC-UHFFFAOYSA-N -1 0 334.803 3.586 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000683327234 976088555 /nfs/dbraw/zinc/08/85/55/976088555.db2.gz QAHBOOLFKQAUMN-UHFFFAOYSA-N -1 0 349.346 3.565 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCCC[C@H]2CCc2ccccc2)C1 ZINC000683335191 976090107 /nfs/dbraw/zinc/09/01/07/976090107.db2.gz IXKYNIRLVRAJAG-QRVBRYPASA-N -1 0 343.467 3.891 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000685023886 976094971 /nfs/dbraw/zinc/09/49/71/976094971.db2.gz DNQBLTKIMHPFED-QVKFZJNVSA-N -1 0 339.435 3.511 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)NCc2ccc(Cl)c(C(=O)[O-])n2)CC1 ZINC001591907386 976312175 /nfs/dbraw/zinc/31/21/75/976312175.db2.gz PNNNZRSSWVTUHH-HAQNSBGRSA-N -1 0 338.835 3.512 20 0 EHADRM CC(C)c1[nH]c(CN2CCc3cc(F)cc(F)c3C2)cc1C(=O)[O-] ZINC001591912080 976335389 /nfs/dbraw/zinc/33/53/89/976335389.db2.gz BUASBBIGYOXXQL-UHFFFAOYSA-N -1 0 334.366 3.673 20 0 EHADRM CC(C)c1[nH]c(CN2CCC[C@H](C(F)(F)F)[C@@H]2C)cc1C(=O)[O-] ZINC001591912331 976341571 /nfs/dbraw/zinc/34/15/71/976341571.db2.gz KIDVDUUXAFUEPN-GWCFXTLKSA-N -1 0 332.366 3.999 20 0 EHADRM CC(C)c1cc(C(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C)c(O)c(C(C)C)c1 ZINC001591925627 976408201 /nfs/dbraw/zinc/40/82/01/976408201.db2.gz LBECZKLLXRCNJD-ZIAGYGMSSA-N -1 0 347.455 3.964 20 0 EHADRM CC(C)c1cc(C(=O)Nc2ccc(F)cc2C(=O)[O-])nn1C(C)(C)C ZINC001591930773 976426759 /nfs/dbraw/zinc/42/67/59/976426759.db2.gz GVZOQOMRXBAUDZ-UHFFFAOYSA-N -1 0 347.390 3.851 20 0 EHADRM CC(C)c1ccc(-c2nc(C(=O)OC3(C(=O)[O-])CC3)cs2)cc1 ZINC001591936407 976459546 /nfs/dbraw/zinc/45/95/46/976459546.db2.gz WYEBUVFMRPVNDF-UHFFFAOYSA-N -1 0 331.393 3.708 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@@H](C)[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC001591941738 976462787 /nfs/dbraw/zinc/46/27/87/976462787.db2.gz GGUTTZGTUIUAJK-KXBFYZLASA-N -1 0 339.435 3.872 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCOC3)cc1 ZINC001591947822 976495231 /nfs/dbraw/zinc/49/52/31/976495231.db2.gz YGMJZKRDSAKYLA-UHFFFAOYSA-N -1 0 345.420 3.895 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])cc1 ZINC001591948166 976497953 /nfs/dbraw/zinc/49/79/53/976497953.db2.gz CHOQHFRZFFPSRF-IRSIMQGLSA-N -1 0 327.424 3.679 20 0 EHADRM CC(C)c1ccc(C2(C(=O)N3CC[C@@H](C(=O)[O-])[C@H]3C)CCC2)cc1 ZINC001591949332 976507404 /nfs/dbraw/zinc/50/74/04/976507404.db2.gz VACMLMWEEXZAFE-RHSMWYFYSA-N -1 0 329.440 3.553 20 0 EHADRM CC(C)c1ccc(N(C)C(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1 ZINC001591957664 976532761 /nfs/dbraw/zinc/53/27/61/976532761.db2.gz XYELBHXIDISDAS-UHFFFAOYSA-N -1 0 342.395 3.942 20 0 EHADRM CC(C)c1ccc(NC(=O)N[C@@](C)(CC(=O)[O-])c2ccccn2)cc1 ZINC001591965267 976557273 /nfs/dbraw/zinc/55/72/73/976557273.db2.gz JEPHUHXLQYPXAD-IBGZPJMESA-N -1 0 341.411 3.717 20 0 EHADRM CC(C)c1ccc2ncnc(NCc3ccc(CC(=O)[O-])cc3)c2c1 ZINC001591980122 976592643 /nfs/dbraw/zinc/59/26/43/976592643.db2.gz BVXQILXTJORKAA-UHFFFAOYSA-N -1 0 335.407 3.992 20 0 EHADRM CC(C)c1ccc2cc(C(=O)NCc3ccoc3C(=O)[O-])[nH]c2c1 ZINC001591980652 976595207 /nfs/dbraw/zinc/59/52/07/976595207.db2.gz JSNJRAUZFZSQRL-UHFFFAOYSA-N -1 0 326.352 3.513 20 0 EHADRM CC(C)c1cccc(C(=O)Nc2cc(CCC(=O)[O-])ccc2O)c1 ZINC001591983850 976605573 /nfs/dbraw/zinc/60/55/73/976605573.db2.gz SZZGNNLFDCTMLQ-UHFFFAOYSA-N -1 0 327.380 3.785 20 0 EHADRM CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001591987314 976611112 /nfs/dbraw/zinc/61/11/12/976611112.db2.gz NEEASUGGKAZMQK-CXAGYDPISA-N -1 0 348.443 3.545 20 0 EHADRM CC(C)c1nc(NC(=O)[C@@H]2[C@H](C)[C@@H]2c2ccccc2)sc1C(=O)[O-] ZINC001592022634 976721369 /nfs/dbraw/zinc/72/13/69/976721369.db2.gz RTBKZJFTZCMFHF-RAIGVLPGSA-N -1 0 344.436 3.953 20 0 EHADRM CC(C)c1nc(NC(=O)[C@@H]2[C@H](C)[C@H]2c2ccccc2)sc1C(=O)[O-] ZINC001592022633 976721618 /nfs/dbraw/zinc/72/16/18/976721618.db2.gz RTBKZJFTZCMFHF-KGYLQXTDSA-N -1 0 344.436 3.953 20 0 EHADRM CC(C)c1ncsc1C(=O)Nc1ncc(C(=O)[O-])c2ccccc12 ZINC001592042243 976768032 /nfs/dbraw/zinc/76/80/32/976768032.db2.gz FWCZEJLTMBPBIB-UHFFFAOYSA-N -1 0 341.392 3.765 20 0 EHADRM CC(C)c1nnc(SCc2ccc(C(=O)[O-])o2)n1Cc1ccco1 ZINC001592075936 976830419 /nfs/dbraw/zinc/83/04/19/976830419.db2.gz WGLURQWXYZFKOU-UHFFFAOYSA-N -1 0 347.396 3.626 20 0 EHADRM CC(C)n1cc2cc(NC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)ccc2n1 ZINC001592131397 976966845 /nfs/dbraw/zinc/96/68/45/976966845.db2.gz SZYXQSRUQKEYBN-OAHLLOKOSA-N -1 0 346.431 3.628 20 0 EHADRM C[C@H](/C=C/C(=O)[O-])NC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC001592195198 977176776 /nfs/dbraw/zinc/17/67/76/977176776.db2.gz RYKYKIZFFXCPRN-IZBYPADMSA-N -1 0 341.432 3.666 20 0 EHADRM C[C@H](/C=C/C(=O)[O-])NC(=O)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC001592202437 977218571 /nfs/dbraw/zinc/21/85/71/977218571.db2.gz CJLZTVOLWAAGPT-OEJVIOGHSA-N -1 0 347.317 3.516 20 0 EHADRM C[C@H](CC(=O)N1C[C@@H](C(=O)[O-])Cc2ccccc21)c1cccc(F)c1 ZINC001592227872 977426921 /nfs/dbraw/zinc/42/69/21/977426921.db2.gz UDKUQPCBZNBRRG-CJNGLKHVSA-N -1 0 341.382 3.609 20 0 EHADRM C[C@H](CC(=O)N1CCCc2c(C(=O)[O-])cccc21)c1ccc(F)cc1 ZINC001592236420 977445398 /nfs/dbraw/zinc/44/53/98/977445398.db2.gz PJQABTQSUDXFPB-CYBMUJFWSA-N -1 0 341.382 3.997 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])Cc1ccc(Cl)cc1 ZINC001592242450 977461513 /nfs/dbraw/zinc/46/15/13/977461513.db2.gz IDODKTFMUCLHBH-DOMZBBRYSA-N -1 0 339.863 3.914 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)c1ccc(Cl)cc1)c1cccc(F)c1 ZINC001592303931 977660958 /nfs/dbraw/zinc/66/09/58/977660958.db2.gz GSMVYZXYMJTECW-KRWDZBQOSA-N -1 0 335.762 3.599 20 0 EHADRM CC(F)(F)c1cccc(NC(=O)N2CCCCC[C@H]2C(=O)[O-])c1 ZINC000654800573 1014415956 /nfs/dbraw/zinc/41/59/56/1014415956.db2.gz WVQAGQOUMNSOLE-ZDUSSCGKSA-N -1 0 326.343 3.659 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)c1csc(Cl)c1)c1cccc(F)c1 ZINC001592321071 977719716 /nfs/dbraw/zinc/71/97/16/977719716.db2.gz KBDAQSYYFRVFNJ-HNNXBMFYSA-N -1 0 341.791 3.661 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N[C@@H](C)c1ccc(-c2ccc(F)cc2)cc1 ZINC001592344209 977798006 /nfs/dbraw/zinc/79/80/06/977798006.db2.gz AASJPHHPHVOGTF-STQMWFEESA-N -1 0 329.371 3.781 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)NCc1ccc(C(F)F)cc1)C(=O)[O-] ZINC000654812144 1014432067 /nfs/dbraw/zinc/43/20/67/1014432067.db2.gz DQELPJZMJVSTIF-ZDUSSCGKSA-N -1 0 342.386 3.703 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCC[C@H]1Cc1c(F)cccc1Cl ZINC001592374707 977902668 /nfs/dbraw/zinc/90/26/68/977902668.db2.gz DIDIXVYNYPCOQS-RYUDHWBXSA-N -1 0 341.810 3.514 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Oc1ccc(N2CCCCC2)c(Cl)c1 ZINC001592402543 977970184 /nfs/dbraw/zinc/97/01/84/977970184.db2.gz POPUJGZVYKSXCC-LBPRGKRZSA-N -1 0 339.819 3.737 20 0 EHADRM C[C@H](CC(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1)c1ccncc1 ZINC001592423768 978041319 /nfs/dbraw/zinc/04/13/19/978041319.db2.gz HBFQEKXNQVGYNN-BDJLRTHQSA-N -1 0 333.771 3.598 20 0 EHADRM C[C@@H](CC(=O)O[C@@H](C)c1cc(C(=O)[O-])co1)C(=O)c1cccc(F)c1 ZINC001592429615 978056316 /nfs/dbraw/zinc/05/63/16/978056316.db2.gz ODKQQPYGLFBGQB-QWRGUYRKSA-N -1 0 348.326 3.630 20 0 EHADRM C[C@@H](CC(=O)Oc1ccc(N(C)C)c(C(=O)[O-])c1)C1CCCCC1 ZINC001592434094 978071523 /nfs/dbraw/zinc/07/15/23/978071523.db2.gz SHXUAUPGCLSLKT-ZDUSSCGKSA-N -1 0 333.428 3.963 20 0 EHADRM C[C@@H](CC1CCCCC1)C(=O)N1CCCc2nc(C(=O)[O-])ccc21 ZINC001592465695 978208468 /nfs/dbraw/zinc/20/84/68/978208468.db2.gz KBLLMKGXDZIQTJ-ZDUSSCGKSA-N -1 0 330.428 3.666 20 0 EHADRM C[C@@H](CC1CCCCC1)C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC001592465699 978208681 /nfs/dbraw/zinc/20/86/81/978208681.db2.gz KEGNLJSUMVPLEO-YJBOKZPZSA-N -1 0 331.456 3.795 20 0 EHADRM C[C@@H](CC1CCCCC1)C(=O)N[C@](C)(Cc1ccc(F)cc1)C(=O)[O-] ZINC001592466219 978211393 /nfs/dbraw/zinc/21/13/93/978211393.db2.gz RYFJYUBLLJOJAW-VBKZILBWSA-N -1 0 349.446 3.934 20 0 EHADRM C[C@@H](CCC(=O)N(c1ncc(C(=O)[O-])s1)C1CC1)c1ccccc1 ZINC001592470716 978224397 /nfs/dbraw/zinc/22/43/97/978224397.db2.gz KVUHSIBEKKGZFZ-LBPRGKRZSA-N -1 0 344.436 3.921 20 0 EHADRM C[C@H](CCC(C)(C)C)C(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC001592478197 978250731 /nfs/dbraw/zinc/25/07/31/978250731.db2.gz QNXDPWPDMHYYGK-QMTHXVAHSA-N -1 0 327.371 3.669 20 0 EHADRM C[C@@](CCF)(NC(=O)c1ccc2c(c1)oc1ccccc12)C(=O)[O-] ZINC001592497381 978299101 /nfs/dbraw/zinc/29/91/01/978299101.db2.gz HUMRBJHFESSCGT-SFHVURJKSA-N -1 0 329.327 3.519 20 0 EHADRM C[C@@H](SC[C@@H](C)C(=O)[O-])C(=O)Nc1cc(Cl)ccc1Cl ZINC000736616028 978344998 /nfs/dbraw/zinc/34/49/98/978344998.db2.gz IMPRDWQWBLJWFR-HTQZYQBOSA-N -1 0 336.240 3.774 20 0 EHADRM C[C@H](CCNC(=O)N1CCc2cc(C(=O)[O-])ccc2C1)CC(C)(C)C ZINC001592514101 978354565 /nfs/dbraw/zinc/35/45/65/978354565.db2.gz WYTBNAZDSLUTNM-CQSZACIVSA-N -1 0 346.471 3.915 20 0 EHADRM C[C@H](CCc1ccc(F)cc1)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001592539965 978420774 /nfs/dbraw/zinc/42/07/74/978420774.db2.gz MMNHVCQAVZIZKZ-CYBMUJFWSA-N -1 0 341.386 3.693 20 0 EHADRM COCc1c2ccccc2oc1C(=O)Oc1ccc(C)cc1C(=O)[O-] ZINC000737829241 978449136 /nfs/dbraw/zinc/44/91/36/978449136.db2.gz HHGQFUGTOODULO-UHFFFAOYSA-N -1 0 340.331 3.805 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1cc2[nH]ccc2s1)C(=O)[O-] ZINC001592606227 978553644 /nfs/dbraw/zinc/55/36/44/978553644.db2.gz WVBWZOPYZUEZTR-LBPRGKRZSA-N -1 0 342.420 3.593 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)N(C)c1ccc(F)cc1)C(=O)[O-] ZINC001592606244 978554382 /nfs/dbraw/zinc/55/43/82/978554382.db2.gz XJNQKFOITUOIOZ-AWEZNQCLSA-N -1 0 344.386 3.605 20 0 EHADRM CCCC[C@H](NC(=O)/C=C\c1ccccc1O[C@@H](C)CC)C(=O)[O-] ZINC000753907754 978694755 /nfs/dbraw/zinc/69/47/55/978694755.db2.gz ZNIYTVYLOWRBHI-YZLNPXJKSA-N -1 0 333.428 3.637 20 0 EHADRM C[C@@]1(NC(=O)c2cc3c(cccc3F)s2)CCCC[C@@H]1C(=O)[O-] ZINC000762227467 978718832 /nfs/dbraw/zinc/71/88/32/978718832.db2.gz GGLUNWXSAQNQBW-PIGZYNQJSA-N -1 0 335.400 3.804 20 0 EHADRM CC(C)(C)c1ncc(/C=C/C(=O)Nc2ccc(C(=O)[O-])cc2F)s1 ZINC000763417231 978723028 /nfs/dbraw/zinc/72/30/28/978723028.db2.gz RPCKNFFJOJGDRH-FNORWQNLSA-N -1 0 348.399 3.930 20 0 EHADRM C/C(=C/C(=O)N(CCC(=O)[O-])Cc1ccccc1)c1ccc(F)cc1 ZINC000766813742 978724915 /nfs/dbraw/zinc/72/49/15/978724915.db2.gz VKPCQGLKZMJFBE-SQFISAMPSA-N -1 0 341.382 3.733 20 0 EHADRM Cc1cc(C)cc(C2(C(=O)N3CCc4cc(C(=O)[O-])ccc43)CC2)c1 ZINC000766842008 978726061 /nfs/dbraw/zinc/72/60/61/978726061.db2.gz WDUIEXSBIXKJHS-UHFFFAOYSA-N -1 0 335.403 3.623 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)ccc1F ZINC000767095077 978734218 /nfs/dbraw/zinc/73/42/18/978734218.db2.gz DEEJFKOJLXOKHF-QWHCGFSZSA-N -1 0 333.746 3.920 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N[C@@H]2CCCOc3ccccc32)c1 ZINC000811818533 978862339 /nfs/dbraw/zinc/86/23/39/978862339.db2.gz PVYXBEBJVNOPQG-OAHLLOKOSA-N -1 0 345.782 3.682 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)NC2(c3ccc(F)cc3)CC2)c1 ZINC000811819706 978864090 /nfs/dbraw/zinc/86/40/90/978864090.db2.gz VDMHFPMBAJMBIH-UHFFFAOYSA-N -1 0 333.746 3.596 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N(Cc2cccc(F)c2)C2CC2)c1 ZINC000811821512 978865744 /nfs/dbraw/zinc/86/57/44/978865744.db2.gz HSVDAGFDHRVYAX-UHFFFAOYSA-N -1 0 347.773 3.982 20 0 EHADRM C[C@H]1c2ccccc2CN1C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000828528446 978985346 /nfs/dbraw/zinc/98/53/46/978985346.db2.gz ULOGAQGBCVZTGT-VIFPVBQESA-N -1 0 332.306 3.772 20 0 EHADRM CCS[C@@H](C)c1noc(CNc2ccc(C(C)(C)C(=O)[O-])cc2)n1 ZINC000830149718 979014055 /nfs/dbraw/zinc/01/40/55/979014055.db2.gz KTHKKXAUBASMMF-NSHDSACASA-N -1 0 349.456 3.858 20 0 EHADRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)[C@H]1CC=CCC1 ZINC000832848307 979050266 /nfs/dbraw/zinc/05/02/66/979050266.db2.gz ZPDZESTYGWVDAC-JTQLQIEISA-N -1 0 338.201 3.751 20 0 EHADRM CC[C@@H](C)n1ncc(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)c1C ZINC001595024063 979122993 /nfs/dbraw/zinc/12/29/93/979122993.db2.gz NRPROTYTYXJOPY-SNVBAGLBSA-N -1 0 340.383 3.594 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(CC(F)(F)F)c2ccccc2)cc1F ZINC000833310841 979153864 /nfs/dbraw/zinc/15/38/64/979153864.db2.gz WQDDEWQYIBXGIK-UHFFFAOYSA-N -1 0 341.260 3.733 20 0 EHADRM C/C(=C/COC(=O)C(C)(C)CC(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000833383641 979176452 /nfs/dbraw/zinc/17/64/52/979176452.db2.gz NRVKSQZGCNVLOM-FLIBITNWSA-N -1 0 338.787 3.513 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NCc1ncc(Cl)cc1Cl)c1ccccc1 ZINC000833406161 979179669 /nfs/dbraw/zinc/17/96/69/979179669.db2.gz CVZUNZIFEAYGKQ-ZUZCIYMTSA-N -1 0 339.222 3.940 20 0 EHADRM CC[C@H](CC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)c1ccc(OC)cc1 ZINC001595033992 979180297 /nfs/dbraw/zinc/18/02/97/979180297.db2.gz XDMPUDMIUAVCSB-CZUORRHYSA-N -1 0 335.444 3.585 20 0 EHADRM CC[C@H](CC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C)c1ccccc1 ZINC001595036664 979198987 /nfs/dbraw/zinc/19/89/87/979198987.db2.gz HXRIXYJARCAHRA-CQSZACIVSA-N -1 0 340.423 3.973 20 0 EHADRM CC[C@@H](CC(F)F)C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001595042418 979234386 /nfs/dbraw/zinc/23/43/86/979234386.db2.gz LLTKKAZFNMFUDW-ZBEGNZNMSA-N -1 0 335.350 3.763 20 0 EHADRM CC[C@@H](CC(F)(F)F)NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001595042847 979239579 /nfs/dbraw/zinc/23/95/79/979239579.db2.gz WHQOIJRAUPARJM-VIFPVBQESA-N -1 0 338.713 3.891 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1ncsc1-c1ccccc1 ZINC000836715870 979247478 /nfs/dbraw/zinc/24/74/78/979247478.db2.gz CETZPWMZOLCMRD-UHFFFAOYSA-N -1 0 332.425 3.575 20 0 EHADRM C/C(=C\C(=O)NCCC(C)(C)C(=O)[O-])c1ccccc1C(F)(F)F ZINC000836750074 979253332 /nfs/dbraw/zinc/25/33/32/979253332.db2.gz VROKSKPMKFWILH-ZHACJKMWSA-N -1 0 343.345 3.726 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC000836755423 979262567 /nfs/dbraw/zinc/26/25/67/979262567.db2.gz YXOZDLPBKQTHBU-RISCZKNCSA-N -1 0 347.436 3.621 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1ccccc1-c1nccs1 ZINC001595049934 979277391 /nfs/dbraw/zinc/27/73/91/979277391.db2.gz JFLICSNIEFBYSH-UHFFFAOYSA-N -1 0 347.440 3.965 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1ccccc1OC(F)(F)F ZINC001595050240 979278195 /nfs/dbraw/zinc/27/81/95/979278195.db2.gz ODJSFPGXPZAICS-UHFFFAOYSA-N -1 0 348.321 3.740 20 0 EHADRM CCC(CC)(CNC(=O)CSc1ccc(C(C)C)cc1)C(=O)[O-] ZINC001595065750 979330027 /nfs/dbraw/zinc/33/00/27/979330027.db2.gz AZBICYSWTSJMIP-UHFFFAOYSA-N -1 0 337.485 3.909 20 0 EHADRM C[C@@](COC(=O)/C=C\c1ccc2[nH]ccc2c1)(C(=O)[O-])c1ccccc1 ZINC001592762688 979358514 /nfs/dbraw/zinc/35/85/14/979358514.db2.gz ACILEBMTXABNJM-FLJMFPIGSA-N -1 0 349.386 3.767 20 0 EHADRM C[C@@](COC(=O)c1cccc(C(F)F)c1)(C(=O)[O-])c1ccccc1 ZINC001592771116 979385537 /nfs/dbraw/zinc/38/55/37/979385537.db2.gz AGSSMXVIWOCZAR-SFHVURJKSA-N -1 0 334.318 3.824 20 0 EHADRM C[C@@H](COc1ccc(F)cc1F)Nc1nc(Cl)c(C(=O)[O-])s1 ZINC001592780519 979409365 /nfs/dbraw/zinc/40/93/65/979409365.db2.gz HDQISSRJKVCXHY-LURJTMIESA-N -1 0 348.758 3.652 20 0 EHADRM CCC(CC)[C@H](C)C(=O)Nc1nc2nc(C)cc(C(=O)[O-])c2s1 ZINC001595106384 979431754 /nfs/dbraw/zinc/43/17/54/979431754.db2.gz LHYJERKIVBMXKS-VIFPVBQESA-N -1 0 335.429 3.709 20 0 EHADRM CCC(CC)[C@H](NC(=O)c1cncc(C(=O)[O-])c1)c1ccccc1 ZINC001595109969 979450424 /nfs/dbraw/zinc/45/04/24/979450424.db2.gz PFZMYEAWKYSJPO-KRWDZBQOSA-N -1 0 326.396 3.687 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)N[C@](C)(CC(=O)[O-])C2CC2)cc1 ZINC001595121405 979490932 /nfs/dbraw/zinc/49/09/32/979490932.db2.gz LGCMMUSNHWFCKU-LJQANCHMSA-N -1 0 333.428 3.627 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])cc1 ZINC001595121831 979497208 /nfs/dbraw/zinc/49/72/08/979497208.db2.gz WYPQHTJLULKBOY-INIZCTEOSA-N -1 0 335.444 3.873 20 0 EHADRM CCC(CC)c1nnc(NC(=O)c2cc(F)cc(C(=O)[O-])c2)s1 ZINC001595121879 979497267 /nfs/dbraw/zinc/49/72/67/979497267.db2.gz CUJBGIWTQZCMQX-UHFFFAOYSA-N -1 0 337.376 3.531 20 0 EHADRM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851593112 979502959 /nfs/dbraw/zinc/50/29/59/979502959.db2.gz MDSQSMRFIIUOKO-ZRDIBKRKSA-N -1 0 341.407 3.947 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)N1C[C@H](C(=O)[O-])Cc2ccccc21 ZINC001595125627 979508639 /nfs/dbraw/zinc/50/86/39/979508639.db2.gz DEKVZHCSXOHLFZ-DOTOQJQBSA-N -1 0 329.440 3.883 20 0 EHADRM C[C@H](CSC(F)(F)F)C(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC001592825220 979541560 /nfs/dbraw/zinc/54/15/60/979541560.db2.gz RXZZJOLHGYQBKN-ZCFIWIBFSA-N -1 0 342.722 3.833 20 0 EHADRM COc1cc2ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc2cc1OC ZINC000851625227 979561090 /nfs/dbraw/zinc/56/10/90/979561090.db2.gz VABIEYHPKLCJAE-UHFFFAOYSA-N -1 0 345.395 3.687 20 0 EHADRM CC[C@](CNC(=O)C(C)(C)CC(C)(C)C)(C(=O)[O-])c1ccccc1 ZINC001595135223 979573281 /nfs/dbraw/zinc/57/32/81/979573281.db2.gz LWPAWHPSOKFBST-HXUWFJFHSA-N -1 0 333.472 3.998 20 0 EHADRM CC[C@](CNC(=O)[C@H](C)[C@@H](C)C(C)(C)C)(C(=O)[O-])c1ccccc1 ZINC001595135613 979578104 /nfs/dbraw/zinc/57/81/04/979578104.db2.gz XMONPJIMXYEAMJ-STXHMFSFSA-N -1 0 333.472 3.854 20 0 EHADRM CC[C@@](CNC(=O)[C@H](F)CC1CCCCC1)(C(=O)[O-])c1ccccc1 ZINC001595138927 979585124 /nfs/dbraw/zinc/58/51/24/979585124.db2.gz TTZQWXRVKXISPF-XLIONFOSSA-N -1 0 349.446 3.844 20 0 EHADRM C[C@](Cc1ccc(Cl)cc1)(NC(=O)CCC1CCCC1)C(=O)[O-] ZINC001592839400 979597081 /nfs/dbraw/zinc/59/70/81/979597081.db2.gz UYZZOCLJUASUNW-GOSISDBHSA-N -1 0 337.847 3.812 20 0 EHADRM Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NCCC(C)(C)C(=O)[O-] ZINC000859802664 979635841 /nfs/dbraw/zinc/63/58/41/979635841.db2.gz HBTASPMWJPNGCG-HNNXBMFYSA-N -1 0 346.471 3.922 20 0 EHADRM CC[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1)Oc1cccc(C)c1 ZINC001595152588 979648621 /nfs/dbraw/zinc/64/86/21/979648621.db2.gz MMFFELKXLTTZMM-INIZCTEOSA-N -1 0 342.395 3.672 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)[C@H](C)CSC(F)(F)F)cc1)C(=O)[O-] ZINC001592857724 979664791 /nfs/dbraw/zinc/66/47/91/979664791.db2.gz LEFQKXMILCXRSS-NXEZZACHSA-N -1 0 349.374 3.777 20 0 EHADRM CC[C@H](CNC(=O)c1c(F)cccc1Sc1ccccc1)C(=O)[O-] ZINC001595159938 979679963 /nfs/dbraw/zinc/67/99/63/979679963.db2.gz SEQZBBINXVSDEV-GFCCVEGCSA-N -1 0 347.411 3.818 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N(C)[C@@H]2CCC(C)(C)C2)cc1)C(=O)[O-] ZINC001592859883 979685615 /nfs/dbraw/zinc/68/56/15/979685615.db2.gz ZMUTYEPJOKOACD-XJKSGUPXSA-N -1 0 332.444 3.992 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)/C=C/c2ccc(C(=O)[O-])o2)c1 ZINC000864102822 979687715 /nfs/dbraw/zinc/68/77/15/979687715.db2.gz ACLMBYKOMAVSDQ-DZZUKKPASA-N -1 0 325.364 3.663 20 0 EHADRM O=C(/C=C\c1ccc(C(=O)[O-])o1)Nc1ccccc1OC1CCCC1 ZINC000864105316 979692119 /nfs/dbraw/zinc/69/21/19/979692119.db2.gz UZPHBRSYMPIGGF-BENRWUELSA-N -1 0 341.363 3.951 20 0 EHADRM O=C([O-])c1coc(/C=C\C(=O)N(C2CC2)[C@H]2CCc3ccccc32)c1 ZINC000864105640 979693275 /nfs/dbraw/zinc/69/32/75/979693275.db2.gz JRLDBJSZGWKSMS-IZTUGPKFSA-N -1 0 337.375 3.670 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N2CC[C@H]2C2CCCC2)cc1)C(=O)[O-] ZINC001592861310 979697627 /nfs/dbraw/zinc/69/76/27/979697627.db2.gz QTUMPPUJXVDJJE-DYVFJYSZSA-N -1 0 330.428 3.746 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)/C=C\c1ccsc1C(F)(F)F ZINC000864111955 979703135 /nfs/dbraw/zinc/70/31/35/979703135.db2.gz AMNAVNZDWQJSDY-ARJAWSKDSA-N -1 0 349.374 3.739 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)NC[C@H]2C[C@@H]2C2CCCC2)cc1)C(=O)[O-] ZINC001592865682 979708742 /nfs/dbraw/zinc/70/87/42/979708742.db2.gz FXZLHDAYQNJABB-MZMPZRCHSA-N -1 0 344.455 3.898 20 0 EHADRM C[C@@H](CCc1ccc(F)cc1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000864121959 979718588 /nfs/dbraw/zinc/71/85/88/979718588.db2.gz NRXLIFSHFWRPDT-AWEZNQCLSA-N -1 0 343.398 3.751 20 0 EHADRM O=C([O-])c1coc(/C=C\C(=O)N2CCC[C@H]2CCc2ccccc2)c1 ZINC000864125557 979725305 /nfs/dbraw/zinc/72/53/05/979725305.db2.gz XCVBWPZILSNVMK-MQNTZWLQSA-N -1 0 339.391 3.615 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2ccc(C(F)(F)F)[nH]2)cc1)C(=O)[O-] ZINC001592872312 979728881 /nfs/dbraw/zinc/72/88/81/979728881.db2.gz HPCDMYWESBMGDT-VIFPVBQESA-N -1 0 340.301 3.549 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000864133183 979734987 /nfs/dbraw/zinc/73/49/87/979734987.db2.gz ZIWYYCBVELUVIB-FHLIZLRMSA-N -1 0 349.858 3.767 20 0 EHADRM C[C@@H](Cc1ccc(NCc2cccc3c2OC(F)(F)O3)cc1)C(=O)[O-] ZINC001592877324 979744137 /nfs/dbraw/zinc/74/41/37/979744137.db2.gz JVRWRDAKGCZQTA-NSHDSACASA-N -1 0 349.333 3.883 20 0 EHADRM C[C@H]1CN(C(=O)C2(c3ccccc3)CCCCCC2)CC[C@H]1C(=O)[O-] ZINC000864140491 979745269 /nfs/dbraw/zinc/74/52/69/979745269.db2.gz BBLGCQOFDHUECJ-FUHWJXTLSA-N -1 0 343.467 3.848 20 0 EHADRM CC[C@@H](CNc1nc(C)nc2sc3c(c21)CCCCC3)C(=O)[O-] ZINC001595173055 979749436 /nfs/dbraw/zinc/74/94/36/979749436.db2.gz YKHIXHFYADEPDE-NSHDSACASA-N -1 0 333.457 3.791 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@]23C[C@@H]2CCCC3)ccc1N1CCCCC1 ZINC000864148260 979754585 /nfs/dbraw/zinc/75/45/85/979754585.db2.gz BBEDMMFMBUZVIC-XOBRGWDASA-N -1 0 342.439 3.894 20 0 EHADRM CC(C)n1ncc(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c1Cl ZINC000864148766 979756629 /nfs/dbraw/zinc/75/66/29/979756629.db2.gz JOTXWOYHJCPXAD-JTQLQIEISA-N -1 0 335.791 3.558 20 0 EHADRM O=C([O-])C[C@H](CNC(=O)CCc1ccc(F)c2ccccc12)C1CC1 ZINC000864156055 979767435 /nfs/dbraw/zinc/76/74/35/979767435.db2.gz WJKQYHNOBBUSJJ-OAHLLOKOSA-N -1 0 343.398 3.529 20 0 EHADRM CC[C@H](CNc1ncnc2sc(-c3ccccc3)cc21)C(=O)[O-] ZINC001595176699 979769418 /nfs/dbraw/zinc/76/94/18/979769418.db2.gz XPZOYUQJLOEXCY-LLVKDONJSA-N -1 0 327.409 3.881 20 0 EHADRM O=C([O-])c1coc(/C=C\C(=O)NCc2ccc(C3CCC3)cc2)c1 ZINC000864157546 979769363 /nfs/dbraw/zinc/76/93/63/979769363.db2.gz NHTDGXYIZKTDJE-HJWRWDBZSA-N -1 0 325.364 3.575 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC001592891163 979781452 /nfs/dbraw/zinc/78/14/52/979781452.db2.gz MXYNAKAPCUPHSP-ZDUSSCGKSA-N -1 0 337.847 3.812 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)NC(=O)NCCCCCCC(=O)[O-] ZINC001592892174 979789777 /nfs/dbraw/zinc/78/97/77/979789777.db2.gz WOXFJZXLBKMKOS-ZDUSSCGKSA-N -1 0 340.851 3.605 20 0 EHADRM CCCN(Cc1ccc(OC)cc1)C(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000864174955 979812281 /nfs/dbraw/zinc/81/22/81/979812281.db2.gz XWORWWHIZKSUAP-UHFFFAOYSA-N -1 0 341.407 3.754 20 0 EHADRM CC(C)n1ccc(C[C@H](C)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)n1 ZINC001592902328 979826505 /nfs/dbraw/zinc/82/65/05/979826505.db2.gz GZVUCMCVLAKYGH-DOPJRALCSA-N -1 0 327.428 3.695 20 0 EHADRM CC(C)c1ccc(SCC(=O)NCc2cc(C(=O)[O-])co2)cc1 ZINC000864191402 979845120 /nfs/dbraw/zinc/84/51/20/979845120.db2.gz GODVXBOMMDSQSQ-UHFFFAOYSA-N -1 0 333.409 3.510 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)c1cccc(SC(F)(F)F)c1)C1CC1 ZINC000864200564 979877333 /nfs/dbraw/zinc/87/73/33/979877333.db2.gz ASSIXEVEJGCTMC-CQSZACIVSA-N -1 0 347.358 3.672 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)c1cc(Cl)cc(C(F)(F)F)c1)C1CC1 ZINC000864204367 979886523 /nfs/dbraw/zinc/88/65/23/979886523.db2.gz XFHMWPNHRNVZJI-CQSZACIVSA-N -1 0 349.736 3.732 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c(F)c1 ZINC000864216044 979903947 /nfs/dbraw/zinc/90/39/47/979903947.db2.gz AIKKSULDPOFXSZ-UHFFFAOYSA-N -1 0 345.345 3.683 20 0 EHADRM CC1(C)[C@@H](c2ccccc2F)CCN1C(=O)c1cc(C(=O)[O-])co1 ZINC000864218639 979908164 /nfs/dbraw/zinc/90/81/64/979908164.db2.gz ZEVNMQADBHUEIG-CYBMUJFWSA-N -1 0 331.343 3.525 20 0 EHADRM Cc1cc(C(=O)N2CC[C@@H](c3ccccc3F)C2(C)C)oc1C(=O)[O-] ZINC000864218409 979908179 /nfs/dbraw/zinc/90/81/79/979908179.db2.gz VNPKKBQCTZXVGG-ZDUSSCGKSA-N -1 0 345.370 3.834 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)[C@H](C)Cc2cccc(F)c2)c1 ZINC000864228123 979918552 /nfs/dbraw/zinc/91/85/52/979918552.db2.gz AXWCJTOQMSIFGC-KDOFPFPSSA-N -1 0 343.398 3.645 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)c1 ZINC000864229138 979923593 /nfs/dbraw/zinc/92/35/93/979923593.db2.gz SRPSNDTXBMWFPP-BZSNNMDCSA-N -1 0 341.382 3.570 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1 ZINC000864229813 979926152 /nfs/dbraw/zinc/92/61/52/979926152.db2.gz MRKBMGINCVLGNF-OAGGEKHMSA-N -1 0 343.448 3.801 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2CCCc3sccc32)c1 ZINC000864230405 979927977 /nfs/dbraw/zinc/92/79/77/979927977.db2.gz WVNRJTAOGOTZBK-CVEARBPZSA-N -1 0 343.448 3.809 20 0 EHADRM CC[C@H](CSC)N(C)C(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC001595202251 979952779 /nfs/dbraw/zinc/95/27/79/979952779.db2.gz FDUFAULWKSUEEZ-LLVKDONJSA-N -1 0 342.486 3.712 20 0 EHADRM CC[C@@H](CSc1ccccc1)NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001595203490 979964694 /nfs/dbraw/zinc/96/46/94/979964694.db2.gz NZPGJIQTMONPCR-CWRNSKLLSA-N -1 0 335.469 3.565 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001595205171 979979115 /nfs/dbraw/zinc/97/91/15/979979115.db2.gz RJOHBSJBKZGIPQ-ZWKOTPCHSA-N -1 0 344.455 3.521 20 0 EHADRM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001595205200 979980223 /nfs/dbraw/zinc/98/02/23/979980223.db2.gz RRJHUQANSFDYDU-OWCLPIDISA-N -1 0 337.847 3.668 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC001595211149 979988847 /nfs/dbraw/zinc/98/88/47/979988847.db2.gz QHEKNHWRHOAZGE-GFCCVEGCSA-N -1 0 344.436 3.926 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC001595211361 979991960 /nfs/dbraw/zinc/99/19/60/979991960.db2.gz SXQAUBNWEMUSBS-HZPDHXFCSA-N -1 0 345.464 3.957 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)Oc1ccc(C(=O)[O-])cc1OC ZINC001595218340 980032789 /nfs/dbraw/zinc/03/27/89/980032789.db2.gz IOSYXLWDFHKCQT-CQSZACIVSA-N -1 0 342.391 3.876 20 0 EHADRM O=C([O-])c1csc(CN2CCO[C@H](c3cccc(Cl)c3)C2)c1 ZINC000872159088 980042067 /nfs/dbraw/zinc/04/20/67/980042067.db2.gz MGSLWXNSMRIJHK-HNNXBMFYSA-N -1 0 337.828 3.673 20 0 EHADRM COc1ccc2c(c1)CC[C@H]2C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000872731260 980123511 /nfs/dbraw/zinc/12/35/11/980123511.db2.gz ZNIQBMBKBHXREY-KZULUSFZSA-N -1 0 339.391 3.552 20 0 EHADRM CC[C@](NC(=O)/C=C1\CC[C@@H](C)C1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595237410 980144964 /nfs/dbraw/zinc/14/49/64/980144964.db2.gz GCFGSRMOLNCQGX-WJRRDMDDSA-N -1 0 335.831 3.893 20 0 EHADRM CC[C@@](NC(=O)CC(C1CC1)C1CC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595238179 980153064 /nfs/dbraw/zinc/15/30/64/980153064.db2.gz DBTKQAVPTJLSOV-IBGZPJMESA-N -1 0 349.858 3.972 20 0 EHADRM CC[C@H](NC(=O)COc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001595242837 980170296 /nfs/dbraw/zinc/17/02/96/980170296.db2.gz QGYOTSXVPKSFDJ-INIZCTEOSA-N -1 0 347.798 3.685 20 0 EHADRM CC[C@H](NC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)c1cc(C)ccc1C ZINC001595248583 980198708 /nfs/dbraw/zinc/19/87/08/980198708.db2.gz ACGGFVZWEFYTON-KNBMTAEXSA-N -1 0 344.455 3.651 20 0 EHADRM C[C@H](NC(=O)C1CC2(C1)CCCCC2)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593002336 980214739 /nfs/dbraw/zinc/21/47/39/980214739.db2.gz FTFQHJIYFIWCBQ-YJBOKZPZSA-N -1 0 343.467 3.795 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCCCC1(C)C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593007124 980224683 /nfs/dbraw/zinc/22/46/83/980224683.db2.gz KRIMLZDYPLHELM-UAGQMJEPSA-N -1 0 331.456 3.651 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)N(c2ccccc2)c2ccccc2)[C@H]2C[C@H]21 ZINC000899935369 980234507 /nfs/dbraw/zinc/23/45/07/980234507.db2.gz UCJCKVVMQZUGOD-XDNAFOTISA-N -1 0 336.391 3.644 20 0 EHADRM C[C@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1cccc(C2CC2)c1 ZINC001593009170 980234617 /nfs/dbraw/zinc/23/46/17/980234617.db2.gz NPNZGPDWPZNSEH-CUZBXDDWSA-N -1 0 325.364 3.746 20 0 EHADRM C[C@H](NC(=O)CC/C=C/c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001593015579 980262828 /nfs/dbraw/zinc/26/28/28/980262828.db2.gz OKCACQYPGFRDQR-LHXVZLOVSA-N -1 0 330.409 3.512 20 0 EHADRM C[C@](NC(=O)CCCc1ccccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001593018985 980266025 /nfs/dbraw/zinc/26/60/25/980266025.db2.gz FDHWXLFACQZCLH-LJQANCHMSA-N -1 0 345.826 3.779 20 0 EHADRM CC[C@H](NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc21)C(=O)[O-] ZINC001595263304 980266522 /nfs/dbraw/zinc/26/65/22/980266522.db2.gz KBDPBRZTZIVKLS-KRWDZBQOSA-N -1 0 348.402 3.803 20 0 EHADRM CC[C@@H](NC(=O)c1cc(C)cc(C(=O)[O-])c1)c1cc(F)ccc1F ZINC001595265323 980274547 /nfs/dbraw/zinc/27/45/47/980274547.db2.gz QDMHJGRPAAXNTN-MRXNPFEDSA-N -1 0 333.334 3.853 20 0 EHADRM Cc1nc(C(C)C)sc1[C@@H](C)N(C)Cc1cccc(C(=O)[O-])n1 ZINC000901439575 980288117 /nfs/dbraw/zinc/28/81/17/980288117.db2.gz UDWYCOFRPPQKRK-GFCCVEGCSA-N -1 0 333.457 3.861 20 0 EHADRM O=C([O-])CCC1CCN(Cc2cccc(F)c2OC(F)(F)F)CC1 ZINC000901502253 980321787 /nfs/dbraw/zinc/32/17/87/980321787.db2.gz SNWHXLGZMIKXKF-UHFFFAOYSA-N -1 0 349.324 3.801 20 0 EHADRM CC[C@@](NCc1c(Cl)cncc1Cl)(C(=O)[O-])c1ccccc1 ZINC001595298147 980413380 /nfs/dbraw/zinc/41/33/80/980413380.db2.gz AWUABSBBAXYFFG-INIZCTEOSA-N -1 0 339.222 3.868 20 0 EHADRM CC(C)(CC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21)CC(F)(F)F ZINC000901636514 980416243 /nfs/dbraw/zinc/41/62/43/980416243.db2.gz KLEHCIVTZXWUIS-LBPRGKRZSA-N -1 0 343.345 3.960 20 0 EHADRM C[C@@H](Cc1ccc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1)C(=O)[O-] ZINC000901735237 980471413 /nfs/dbraw/zinc/47/14/13/980471413.db2.gz PMGGHINJDNLKKR-RUGDWHBFSA-N -1 0 329.440 3.709 20 0 EHADRM CCOc1ccc(CNc2cc(COC)cc(C(=O)[O-])c2)cc1OC ZINC000901738383 980472083 /nfs/dbraw/zinc/47/20/83/980472083.db2.gz RRVBZLNEFSZJQZ-UHFFFAOYSA-N -1 0 345.395 3.551 20 0 EHADRM Cc1cc(CNCc2ccc(C(=O)[O-])cc2Br)c(C)o1 ZINC000901781730 980512482 /nfs/dbraw/zinc/51/24/82/980512482.db2.gz UDUJXEPCCVHBOE-UHFFFAOYSA-N -1 0 338.201 3.647 20 0 EHADRM CC[C@H](OC(=O)[C@H](C)c1ccc(C(=O)C(C)C)cc1)[C@@H](C)C(=O)[O-] ZINC001595334292 980583196 /nfs/dbraw/zinc/58/31/96/980583196.db2.gz DTGACYNADKJKLM-IOASZLSFSA-N -1 0 334.412 3.671 20 0 EHADRM C[C@H]1CCN(Cc2cnc(-c3ccccc3F)s2)[C@H](C(=O)[O-])C1 ZINC000902011504 980690050 /nfs/dbraw/zinc/69/00/50/980690050.db2.gz KCRZGFCULOLVGF-NHYWBVRUSA-N -1 0 334.416 3.634 20 0 EHADRM C[C@@H]1CCN(Cc2ccc(Sc3ccccn3)o2)[C@@H](C(=O)[O-])C1 ZINC000902016984 980694152 /nfs/dbraw/zinc/69/41/52/980694152.db2.gz NRGCSYYMMRPNQK-TZMCWYRMSA-N -1 0 332.425 3.511 20 0 EHADRM CC[C@H](OCCn1nc(C)c(CCC(=O)[O-])c1C)c1ccccc1 ZINC001595356825 980716036 /nfs/dbraw/zinc/71/60/36/980716036.db2.gz OSPAKMGKZFHHNO-SFHVURJKSA-N -1 0 330.428 3.685 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)N(CC1CC1)[C@](C)(CC)C(=O)[O-] ZINC001595357440 980722182 /nfs/dbraw/zinc/72/21/82/980722182.db2.gz ZNCQBMNNFOVTBS-OXJNMPFZSA-N -1 0 347.455 3.644 20 0 EHADRM O=C([O-])CCC[C@H]1CCC[C@@H](Nc2ccc(Cn3cncn3)cc2)C1 ZINC000902101031 980734534 /nfs/dbraw/zinc/73/45/34/980734534.db2.gz LIBTWKAECNCABO-CRAIPNDOSA-N -1 0 342.443 3.552 20 0 EHADRM CCc1oc(CNc2cccc(OC[C@H]3CCCO3)c2)cc1C(=O)[O-] ZINC000902104580 980736486 /nfs/dbraw/zinc/73/64/86/980736486.db2.gz DLYGDUZRJFXHAT-OAHLLOKOSA-N -1 0 345.395 3.710 20 0 EHADRM C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1Nc1cccc(Oc2cnccn2)c1 ZINC000902117669 980742830 /nfs/dbraw/zinc/74/28/30/980742830.db2.gz VQEIFYVYZQHITP-WWGRRREGSA-N -1 0 327.384 3.570 20 0 EHADRM CCc1oc(CNc2cc(NC(=O)C3CC3)ccc2C)cc1C(=O)[O-] ZINC000902124401 980746233 /nfs/dbraw/zinc/74/62/33/980746233.db2.gz DDPAUCUDLHJYNA-UHFFFAOYSA-N -1 0 342.395 3.809 20 0 EHADRM COCCOc1ccc(NC2CCC(CC(=O)[O-])CC2)cc1Cl ZINC000902151573 980759412 /nfs/dbraw/zinc/75/94/12/980759412.db2.gz CXFWIKXNGBQBOX-UHFFFAOYSA-N -1 0 341.835 3.811 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)Cc1ccc(C)c(C)c1 ZINC001595361944 980766564 /nfs/dbraw/zinc/76/65/64/980766564.db2.gz RZNLFSVMIWBCHB-IBGZPJMESA-N -1 0 339.435 3.910 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)C[C@@H]1CCC[C@H](OC)C1 ZINC001595361948 980767296 /nfs/dbraw/zinc/76/72/96/980767296.db2.gz SEBGDPDVICGGMS-BPQIPLTHSA-N -1 0 347.455 3.646 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)/C=C(/C)c1ccco1 ZINC001595362154 980768273 /nfs/dbraw/zinc/76/82/73/980768273.db2.gz XQWBBSMYHMKLIB-OBEJXRGXSA-N -1 0 327.380 3.747 20 0 EHADRM C[C@H](Nc1ccc(OCc2ccccn2)c(Cl)c1)[C@H]1C[C@H]1C(=O)[O-] ZINC000902193191 980777165 /nfs/dbraw/zinc/77/71/65/980777165.db2.gz WXYQIFKQDWOBNR-NILFDRSVSA-N -1 0 346.814 3.835 20 0 EHADRM C[C@H](CC(C)(C)CC(=O)[O-])Nc1cccc(CN2CCCCC2=O)c1 ZINC000902198625 980779202 /nfs/dbraw/zinc/77/92/02/980779202.db2.gz FVQPPQOEPGASOX-OAHLLOKOSA-N -1 0 346.471 3.891 20 0 EHADRM COc1ccc2oc([C@@H](C)NCc3cc(C(=O)[O-])co3)c(C)c2c1 ZINC000902224923 980790696 /nfs/dbraw/zinc/79/06/96/980790696.db2.gz ARTDVHBGRQJVSH-LLVKDONJSA-N -1 0 329.352 3.892 20 0 EHADRM Cc1ccc(N[C@@H](C)CC(C)(C)CC(=O)[O-])cc1C(=O)NC(C)C ZINC000902237063 980795100 /nfs/dbraw/zinc/79/51/00/980795100.db2.gz AENHJZKWNOIILC-AWEZNQCLSA-N -1 0 334.460 3.825 20 0 EHADRM Cc1nn(CCC(=O)[O-])c(C)c1CNc1ccccc1OC(C)(C)C ZINC000902281944 980815501 /nfs/dbraw/zinc/81/55/01/980815501.db2.gz NOUGDCVTIILCGP-UHFFFAOYSA-N -1 0 345.443 3.764 20 0 EHADRM CCC1(CC)[C@H](N(C)C(=O)Nc2cc(C)cc(C(=O)[O-])c2)C[C@@H]1OC ZINC001595374050 980880119 /nfs/dbraw/zinc/88/01/19/980880119.db2.gz TYJBPMLWMUUFNJ-CVEARBPZSA-N -1 0 348.443 3.751 20 0 EHADRM Cc1oc(CN[C@H]2CCCOc3cc(Cl)ccc32)cc1C(=O)[O-] ZINC000902434249 980884260 /nfs/dbraw/zinc/88/42/60/980884260.db2.gz VIJTUYRKXZMIEG-HNNXBMFYSA-N -1 0 335.787 3.943 20 0 EHADRM CCc1oc(CNCc2ccsc2C(F)(F)F)cc1C(=O)[O-] ZINC000902495318 980910051 /nfs/dbraw/zinc/91/00/51/980910051.db2.gz ZXFHRYUBDUTELN-UHFFFAOYSA-N -1 0 333.331 3.910 20 0 EHADRM CC[C@@H]1CN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)[C@@H](C)CO1 ZINC000902534881 980926621 /nfs/dbraw/zinc/92/66/21/980926621.db2.gz VENUAZVNMZTJLP-UONOGXRCSA-N -1 0 329.396 3.644 20 0 EHADRM O=C([O-])CCC(=O)N[C@@H](c1ccc(Cl)cc1Cl)C(F)(F)F ZINC000902865622 980947863 /nfs/dbraw/zinc/94/78/63/980947863.db2.gz NJUXNLZQOOYULP-NSHDSACASA-N -1 0 344.116 3.578 20 0 EHADRM CCC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1Cc1ccccc1 ZINC001595399856 980974049 /nfs/dbraw/zinc/97/40/49/980974049.db2.gz ZOFDSKPCKSANNK-SFHVURJKSA-N -1 0 336.391 3.702 20 0 EHADRM C[C@H](NCc1ccc(C(=O)[O-])s1)c1nc(C2CCCCC2)no1 ZINC000903684510 981012462 /nfs/dbraw/zinc/01/24/62/981012462.db2.gz BNTNKLATRAEEMW-JTQLQIEISA-N -1 0 335.429 3.728 20 0 EHADRM CCC1CCC(NC(=O)[C@@H](C)CCc2cccc(F)c2)(C(=O)[O-])CC1 ZINC001595420332 981034626 /nfs/dbraw/zinc/03/46/26/981034626.db2.gz DGYSSEDBDCVLOB-BQTBQCLESA-N -1 0 349.446 3.934 20 0 EHADRM CCC1CCC(NC(=O)C[C@@H](C)c2cccc(F)c2)(C(=O)[O-])CC1 ZINC001595420804 981038552 /nfs/dbraw/zinc/03/85/52/981038552.db2.gz JCXIYAMEVMKEDN-VFPJAPOESA-N -1 0 335.419 3.859 20 0 EHADRM CCC1CCC(NC(=O)c2ccc3c(c2)CC(C)(C)O3)(C(=O)[O-])CC1 ZINC001595424667 981043099 /nfs/dbraw/zinc/04/30/99/981043099.db2.gz JKDBHNRJDPDSTR-UHFFFAOYSA-N -1 0 345.439 3.554 20 0 EHADRM CC[C@@H]1CCC[C@H](NC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)C1 ZINC001595431731 981054334 /nfs/dbraw/zinc/05/43/34/981054334.db2.gz DWHPSVNETSNPHK-NEPJUHHUSA-N -1 0 329.400 3.956 20 0 EHADRM CC[C@@H]1CCC[C@@H](NC(=O)Nc2cc(COC)cc(C(=O)[O-])c2)C1 ZINC001595431738 981054460 /nfs/dbraw/zinc/05/44/60/981054460.db2.gz DYCMJLNYGDTEMY-IUODEOHRSA-N -1 0 334.416 3.622 20 0 EHADRM CC[C@H]1CCCC[C@@H]1CNC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001595441030 981078215 /nfs/dbraw/zinc/07/82/15/981078215.db2.gz MNDAROORUKPUOA-WMLDXEAASA-N -1 0 344.455 3.669 20 0 EHADRM CC[C@H](OCCN(C)[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000905373373 981096775 /nfs/dbraw/zinc/09/67/75/981096775.db2.gz NEJOGKFYIIMXSQ-OALUTQOASA-N -1 0 327.424 3.912 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1 ZINC001595448495 981098948 /nfs/dbraw/zinc/09/89/48/981098948.db2.gz RLUJCAUCWAESHS-NJAFHUGGSA-N -1 0 347.455 3.612 20 0 EHADRM CC[C@H]1CCC[C@H]1NC(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001595452713 981115585 /nfs/dbraw/zinc/11/55/85/981115585.db2.gz JABHVUWHWCQXLP-GXTWGEPZSA-N -1 0 334.416 3.872 20 0 EHADRM CC[C@@H]1CCN(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)C1 ZINC001595459017 981134607 /nfs/dbraw/zinc/13/46/07/981134607.db2.gz CWCOMCKCPHULOX-CQSZACIVSA-N -1 0 345.443 3.639 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)cc1 ZINC000907557272 981188796 /nfs/dbraw/zinc/18/87/96/981188796.db2.gz LKTBZEXTVOTFFT-FXAWDEMLSA-N -1 0 339.391 3.671 20 0 EHADRM Cc1cccc(NC(=O)[C@@H](C)CC(=O)[O-])c1OCc1ccccc1 ZINC000907976317 981248483 /nfs/dbraw/zinc/24/84/83/981248483.db2.gz HNIZYORMZKABOK-AWEZNQCLSA-N -1 0 327.380 3.623 20 0 EHADRM CC(C)CCCCCC(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC000908166949 981276081 /nfs/dbraw/zinc/27/60/81/981276081.db2.gz WBXROGLNYRCEQZ-SWKXRBFHSA-N -1 0 341.517 3.838 20 0 EHADRM Cc1ccsc1CCCC(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1 ZINC000908236379 981286525 /nfs/dbraw/zinc/28/65/25/981286525.db2.gz VZQRPGSUJRZDBZ-MRXNPFEDSA-N -1 0 345.464 3.581 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)c2cscc2C(F)F)CCC1 ZINC000908334214 981301345 /nfs/dbraw/zinc/30/13/45/981301345.db2.gz ZCBAWLVTXWMEJA-UHFFFAOYSA-N -1 0 331.384 3.841 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908339343 981304692 /nfs/dbraw/zinc/30/46/92/981304692.db2.gz ONJLHQHQUAHOKE-UHFFFAOYSA-N -1 0 331.456 3.797 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000908404316 981312458 /nfs/dbraw/zinc/31/24/58/981312458.db2.gz GWFCBUYEUOQPIT-CYBMUJFWSA-N -1 0 329.318 3.528 20 0 EHADRM Cc1cc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)c(C(F)(F)F)o1 ZINC000908649210 981333155 /nfs/dbraw/zinc/33/31/55/981333155.db2.gz HOHODWYMQLWBOB-UHFFFAOYSA-N -1 0 339.269 3.508 20 0 EHADRM CC/C=C/CNC(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC001595521556 981341993 /nfs/dbraw/zinc/34/19/93/981341993.db2.gz ZBYOTRIQRVGSBT-SNAWJCMRSA-N -1 0 341.205 3.543 20 0 EHADRM CCCC(=CC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F)CCC ZINC001595522882 981345618 /nfs/dbraw/zinc/34/56/18/981345618.db2.gz WQCXKNZWENLJKE-MRXNPFEDSA-N -1 0 325.355 3.733 20 0 EHADRM CCCCCN(C(=O)c1[nH]c2ccccc2c1CC(=O)[O-])C(C)C ZINC000908724139 981347919 /nfs/dbraw/zinc/34/79/19/981347919.db2.gz QOXDFYCLRDLERB-UHFFFAOYSA-N -1 0 330.428 3.836 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N[C@@H](C)c1ccccc1C(F)(F)F ZINC000908825260 981368852 /nfs/dbraw/zinc/36/88/52/981368852.db2.gz NTMHAGTZIDUHMX-VIFPVBQESA-N -1 0 341.285 3.796 20 0 EHADRM CCC[C@@H](C(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC001595536369 981382293 /nfs/dbraw/zinc/38/22/93/981382293.db2.gz XQXXKLOLXCHCHP-RTBURBONSA-N -1 0 339.435 3.773 20 0 EHADRM Cc1csc(CCC(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)n1 ZINC000908898312 981384087 /nfs/dbraw/zinc/38/40/87/981384087.db2.gz IARJFQWTSSODJD-UHFFFAOYSA-N -1 0 348.424 3.508 20 0 EHADRM CCCC(C)(C)CC(=O)N1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001595537934 981389754 /nfs/dbraw/zinc/38/97/54/981389754.db2.gz DKTYEGMBXDQWEI-GFCCVEGCSA-N -1 0 338.473 3.764 20 0 EHADRM CC[C@H]1C[C@H](CC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CCO1 ZINC000909108615 981418946 /nfs/dbraw/zinc/41/89/46/981418946.db2.gz UBYZYNRTJVDXJA-PWSUYJOCSA-N -1 0 325.792 3.572 20 0 EHADRM Cc1nc(CC(C)C)oc1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000909271809 981455636 /nfs/dbraw/zinc/45/56/36/981455636.db2.gz LNEUTTWYEOUMAK-UHFFFAOYSA-N -1 0 336.775 3.785 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)c(C(F)(F)F)o1 ZINC000909287166 981459714 /nfs/dbraw/zinc/45/97/14/981459714.db2.gz QORGDWVMLNIAAQ-UHFFFAOYSA-N -1 0 341.285 3.876 20 0 EHADRM CC1CCC(OCC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CC1 ZINC000909288938 981461088 /nfs/dbraw/zinc/46/10/88/981461088.db2.gz NSFMUVRYYXVKLY-UHFFFAOYSA-N -1 0 333.428 3.583 20 0 EHADRM CCC[C@H](C)CCNC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001595575325 981495972 /nfs/dbraw/zinc/49/59/72/981495972.db2.gz ZBOXQQCIIHWWNK-AWEZNQCLSA-N -1 0 347.459 3.933 20 0 EHADRM C[C@H](CN(C(=O)c1ccc([C@H](C)C(F)(F)F)cc1)C1CC1)C(=O)[O-] ZINC000909455651 981497780 /nfs/dbraw/zinc/49/77/80/981497780.db2.gz ZHFDOENVUQBUNM-MNOVXSKESA-N -1 0 343.345 3.678 20 0 EHADRM CCC[C@H](CC)C(=O)N(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001595585865 981527130 /nfs/dbraw/zinc/52/71/30/981527130.db2.gz GWLAHFSAHZCMNF-XPTSAGLGSA-N -1 0 331.334 3.514 20 0 EHADRM CC(C)[C@@H](C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1)c1cccnc1 ZINC000909521846 981527703 /nfs/dbraw/zinc/52/77/03/981527703.db2.gz DAWKKIVFSABUFX-RDTXWAMCSA-N -1 0 340.423 3.723 20 0 EHADRM O=C([O-])C12CCC(C(=O)Nc3ccc(-c4cnco4)cc3)(CC1)CC2 ZINC000909543242 981537311 /nfs/dbraw/zinc/53/73/11/981537311.db2.gz BXOQPQCWBPPENH-UHFFFAOYSA-N -1 0 340.379 3.705 20 0 EHADRM CCCOc1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1 ZINC000909581059 981547881 /nfs/dbraw/zinc/54/78/81/981547881.db2.gz OSHKUBQCJLPFAK-UHFFFAOYSA-N -1 0 331.412 3.839 20 0 EHADRM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1csc(C2CCCCC2)n1 ZINC000909685103 981571220 /nfs/dbraw/zinc/57/12/20/981571220.db2.gz ZKPADFZQWLSDNP-YDHLFZDLSA-N -1 0 348.468 3.516 20 0 EHADRM CCC[C@H](NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-])C(C)(C)C ZINC001595600057 981576147 /nfs/dbraw/zinc/57/61/47/981576147.db2.gz JMLRVZCJOVNMIW-HNNXBMFYSA-N -1 0 330.428 3.740 20 0 EHADRM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)c2ccoc2CC(=O)[O-])cc1 ZINC000909728238 981581866 /nfs/dbraw/zinc/58/18/66/981581866.db2.gz ZAQKIEONHFNKIS-NVXWUHKLSA-N -1 0 341.407 3.623 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)NC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000909730247 981583206 /nfs/dbraw/zinc/58/32/06/981583206.db2.gz AOEOYPMXVJYGHX-MRVPVSSYSA-N -1 0 349.736 3.575 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N[C@@](C)(Cc1ccc(Cl)cc1)C(C)C ZINC001594747082 981637322 /nfs/dbraw/zinc/63/73/22/981637322.db2.gz GISDEILPQAQMOU-YOEHRIQHSA-N -1 0 325.836 3.524 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)CCc2cccc(N(C)C)c2)cc1 ZINC000909836281 981656453 /nfs/dbraw/zinc/65/64/53/981656453.db2.gz NXMJRKVCSBUNDM-CQSZACIVSA-N -1 0 340.423 3.512 20 0 EHADRM CCC[C@]1(NC(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CCOC1 ZINC001595618723 981669209 /nfs/dbraw/zinc/66/92/09/981669209.db2.gz GQOWAPHCHOLJRK-KRWDZBQOSA-N -1 0 348.424 3.680 20 0 EHADRM CC[C@@H]1C[C@H](C(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)CCO1 ZINC000909845233 981669232 /nfs/dbraw/zinc/66/92/32/981669232.db2.gz RFSCEFKZTADBMH-IXDOHACOSA-N -1 0 339.476 3.512 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)[C@@H]2CCC[C@H]2c2ccccc2)s1 ZINC000909846435 981671852 /nfs/dbraw/zinc/67/18/52/981671852.db2.gz BMQUBWZHVICZDK-LSDHHAIUSA-N -1 0 329.421 3.646 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)Nc1nc(-c2ccc3c(c2)CCC3)c(C)s1 ZINC001594762317 981697803 /nfs/dbraw/zinc/69/78/03/981697803.db2.gz TYSDCYOZENFBJK-AWEZNQCLSA-N -1 0 344.436 3.657 20 0 EHADRM CCC[C@H]1CCCC[C@H]1CNC(=O)NCCc1ccccc1C(=O)[O-] ZINC001595621561 981701111 /nfs/dbraw/zinc/70/11/11/981701111.db2.gz KWCKYUSTYDAMMP-RDJZCZTQSA-N -1 0 346.471 3.833 20 0 EHADRM CCC[C@H]1CCCC[C@H]1CNC(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001595622500 981711165 /nfs/dbraw/zinc/71/11/65/981711165.db2.gz ULTIYIHAWQRVDK-GJZGRUSLSA-N -1 0 348.443 3.878 20 0 EHADRM CCC[C@H]1CCCC[C@@H]1CNC(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001595622502 981711263 /nfs/dbraw/zinc/71/12/63/981711263.db2.gz ULTIYIHAWQRVDK-LSDHHAIUSA-N -1 0 348.443 3.878 20 0 EHADRM CCC[C@@H]1CCC[C@H]1C(=O)Nc1nc2nc(C)cc(C(=O)[O-])c2s1 ZINC001595622957 981715711 /nfs/dbraw/zinc/71/57/11/981715711.db2.gz YISHQCHZNUNBIF-GHMZBOCLSA-N -1 0 347.440 3.853 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000910020791 981736778 /nfs/dbraw/zinc/73/67/78/981736778.db2.gz FEHJSWPJUSUCTR-CQSZACIVSA-N -1 0 327.380 3.533 20 0 EHADRM O=C([O-])Cc1ccc(CNC(=O)[C@@H]2CCC[C@H]2c2ccccc2)cc1 ZINC000910193080 981777913 /nfs/dbraw/zinc/77/79/13/981777913.db2.gz CNQOTPTZJRCXBK-RBUKOAKNSA-N -1 0 337.419 3.514 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)C[C@@H](C)c1ccccc1F ZINC001594780621 981784418 /nfs/dbraw/zinc/78/44/18/981784418.db2.gz GJXUIBOIXPPMKJ-YJYMSZOUSA-N -1 0 335.419 3.811 20 0 EHADRM CCCC[C@@H](C(=O)[O-])S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC001595629726 981806996 /nfs/dbraw/zinc/80/69/96/981806996.db2.gz MUCASKHHEIDXHT-LBPRGKRZSA-N -1 0 339.240 3.552 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)[C@H]2CCC[C@H]21 ZINC000910241135 981809174 /nfs/dbraw/zinc/80/91/74/981809174.db2.gz TYGFPZBWHPFOIQ-WEVKCVHISA-N -1 0 333.472 3.695 20 0 EHADRM CC1=C(C(=O)Nc2cc(C(=O)[O-])c(Br)cc2C)CCC1 ZINC000910254177 981830003 /nfs/dbraw/zinc/83/00/03/981830003.db2.gz FHXXTEKXCRDARI-UHFFFAOYSA-N -1 0 338.201 3.895 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N[C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000910254038 981830197 /nfs/dbraw/zinc/83/01/97/981830197.db2.gz QPAQUWNCTRTNHC-GJZGRUSLSA-N -1 0 341.407 3.554 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(F)c(SC)c1 ZINC001594790777 981843768 /nfs/dbraw/zinc/84/37/68/981843768.db2.gz GXXDWEIOSWWKBI-QGZVFWFLSA-N -1 0 339.432 3.653 20 0 EHADRM CCCC[C@@H](C)N(CCCC)S(=O)(=O)C1CCC(C(=O)[O-])CC1 ZINC001595632015 981848655 /nfs/dbraw/zinc/84/86/55/981848655.db2.gz ODUIHYNQXIGHAU-QQFBHYJXSA-N -1 0 347.521 3.640 20 0 EHADRM CC(C)[C@H](C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)c1cccnc1 ZINC000910298653 981854000 /nfs/dbraw/zinc/85/40/00/981854000.db2.gz NLVUFFWBEOZNIY-KSZLIROESA-N -1 0 338.407 3.648 20 0 EHADRM CCCC[C@@H](CC)CNC(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001595632796 981861155 /nfs/dbraw/zinc/86/11/55/981861155.db2.gz QXNFVGRQIHTDHJ-UZLBHIALSA-N -1 0 346.471 3.641 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)OCc1cccc(Cl)c1 ZINC001594793581 981865527 /nfs/dbraw/zinc/86/55/27/981865527.db2.gz UZIQIKGUTFOJFV-QGZVFWFLSA-N -1 0 339.819 3.942 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cc2c(s1)CCCC2 ZINC001594793583 981865693 /nfs/dbraw/zinc/86/56/93/981865693.db2.gz VCCSKCWLCRVOTL-GOSISDBHSA-N -1 0 335.469 3.732 20 0 EHADRM C[C@H](C(=O)N[C@](C)(CC(=O)[O-])C1CC1)c1ccc2ccccc2c1 ZINC000910319646 981872846 /nfs/dbraw/zinc/87/28/46/981872846.db2.gz UUWHETDXWJCCPS-RNODOKPDSA-N -1 0 325.408 3.703 20 0 EHADRM CCCC[C@@H](NC(=O)CC(C)(C)CC(=O)c1ccc(C)cc1)C(=O)[O-] ZINC001595634222 981884348 /nfs/dbraw/zinc/88/43/48/981884348.db2.gz AQWIBWDVNINPJB-MRXNPFEDSA-N -1 0 347.455 3.744 20 0 EHADRM CCCC[C@@H](NC(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)C(=O)[O-] ZINC001595636580 981919720 /nfs/dbraw/zinc/91/97/20/981919720.db2.gz DMXBGWKYSVWJPY-LLVKDONJSA-N -1 0 343.210 3.848 20 0 EHADRM CCCC[C@@H](NC(=O)c1cccc2c1ccn2CC(C)C)C(=O)[O-] ZINC001595637116 981926236 /nfs/dbraw/zinc/92/62/36/981926236.db2.gz QNDFLBDMWJEXSF-MRXNPFEDSA-N -1 0 330.428 3.671 20 0 EHADRM CCCC[C@H](N[C@H](C)c1nc(-c2ccc(CC)cc2)no1)C(=O)[O-] ZINC001595637601 981933055 /nfs/dbraw/zinc/93/30/55/981933055.db2.gz MIHWSHHBYPYSAZ-DOMZBBRYSA-N -1 0 331.416 3.593 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CCOc1cc(Cl)ccc1Cl ZINC001594818688 981961808 /nfs/dbraw/zinc/96/18/08/981961808.db2.gz CRHMIILIXSNVAB-HNNXBMFYSA-N -1 0 348.226 3.522 20 0 EHADRM C[C@]1(c2ccccc2)CCCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000910505850 981971392 /nfs/dbraw/zinc/97/13/92/981971392.db2.gz NEZCGTCNIRPQKX-OAQYLSRUSA-N -1 0 337.419 3.855 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(Oc2ccccc2C)cn1 ZINC001594822458 981974542 /nfs/dbraw/zinc/97/45/42/981974542.db2.gz ZKQOUJVOWRBDNJ-IBGZPJMESA-N -1 0 342.395 3.556 20 0 EHADRM C[C@H]1CCN(C(=O)CCc2ccccc2C(=O)[O-])[C@H]1c1ccccc1 ZINC000910544525 981988095 /nfs/dbraw/zinc/98/80/95/981988095.db2.gz JDJJASISWIZZSN-MGPUTAFESA-N -1 0 337.419 3.927 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(/C=C\C(=O)[O-])o2)[C@@H]1c1ccccc1 ZINC000910544118 981988576 /nfs/dbraw/zinc/98/85/76/981988576.db2.gz HGATTYXFLLVHOR-SFCXEPTFSA-N -1 0 325.364 3.601 20 0 EHADRM C[C@H](CCC(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccccc1 ZINC000910646425 982039056 /nfs/dbraw/zinc/03/90/56/982039056.db2.gz SAEHEOHEPBUORP-GFCCVEGCSA-N -1 0 332.425 3.683 20 0 EHADRM CCc1c(NC(=O)c2ccc(C(=O)[O-])s2)cnn1C(CC)CC ZINC000910656939 982044344 /nfs/dbraw/zinc/04/43/44/982044344.db2.gz REYSFTVSDXPVEQ-UHFFFAOYSA-N -1 0 335.429 3.819 20 0 EHADRM CCCC[C@@H](SCC(=O)NC1(c2ccccc2)CCC1)C(=O)[O-] ZINC001595656141 982051188 /nfs/dbraw/zinc/05/11/88/982051188.db2.gz UZIYPGZNOUAQHQ-OAHLLOKOSA-N -1 0 335.469 3.559 20 0 EHADRM Cc1ccc2ccnc(NC(=O)C34CCC(C(=O)[O-])(CC3)CC4)c2c1 ZINC000910680023 982056403 /nfs/dbraw/zinc/05/64/03/982056403.db2.gz SCVSTDNEMVOWRE-UHFFFAOYSA-N -1 0 338.407 3.907 20 0 EHADRM CCCC[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001595660464 982070150 /nfs/dbraw/zinc/07/01/50/982070150.db2.gz FRUANNTUHPPTLA-JSGCOSHPSA-N -1 0 334.416 3.874 20 0 EHADRM C/C(=C/c1ccco1)C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910718030 982080132 /nfs/dbraw/zinc/08/01/32/982080132.db2.gz GGISUPRPOHIFQC-XPSMFNQNSA-N -1 0 346.408 3.510 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)c2cccn2C(C)C)nc1C(=O)[O-] ZINC000910719962 982081553 /nfs/dbraw/zinc/08/15/53/982081553.db2.gz DITCCEDNDUIZSP-GFCCVEGCSA-N -1 0 347.440 3.509 20 0 EHADRM CCCCCC(C)(C)CNC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001595663461 982083920 /nfs/dbraw/zinc/08/39/20/982083920.db2.gz WZKXKTQKISMOMU-UHFFFAOYSA-N -1 0 338.423 3.930 20 0 EHADRM CCCCC[C@H](NC(=O)[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC001595670026 982116105 /nfs/dbraw/zinc/11/61/05/982116105.db2.gz MEQLWGCBJYABGT-FZMZJTMJSA-N -1 0 345.361 3.959 20 0 EHADRM CCCCC[C@@H](NC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1)C(C)(C)C ZINC001595672137 982130361 /nfs/dbraw/zinc/13/03/61/982130361.db2.gz FOYGDYGEHWLZLU-RBSFLKMASA-N -1 0 326.481 3.734 20 0 EHADRM CCCCC[C@H](NC(=O)CCOc1cc(C)cc(C)c1C)C(=O)[O-] ZINC001595673522 982142989 /nfs/dbraw/zinc/14/29/89/982142989.db2.gz YFGBAYFBYLAPNQ-INIZCTEOSA-N -1 0 335.444 3.530 20 0 EHADRM CC[C@](C)(OC)C(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C1CC1 ZINC001594861147 982144274 /nfs/dbraw/zinc/14/42/74/982144274.db2.gz ADEPNWMNKAYNQE-IBGZPJMESA-N -1 0 345.395 3.703 20 0 EHADRM CC/C(C)=C(\C)C(=O)N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001594862236 982154026 /nfs/dbraw/zinc/15/40/26/982154026.db2.gz VDLOXHCCLPTQEP-LXKVQUBZSA-N -1 0 329.318 3.694 20 0 EHADRM CCCCC[C@H](NC(=O)c1csc(C(=O)[O-])n1)c1ccccc1 ZINC001595680492 982154443 /nfs/dbraw/zinc/15/44/43/982154443.db2.gz DYHQYRZVZBGMST-ZDUSSCGKSA-N -1 0 332.425 3.893 20 0 EHADRM CSc1ccc(NC(=O)C[C@H](C)c2c(C)n[nH]c2C)cc1C(=O)[O-] ZINC000910945910 982170445 /nfs/dbraw/zinc/17/04/45/982170445.db2.gz DNMDDZFUJWCVBZ-VIFPVBQESA-N -1 0 347.440 3.579 20 0 EHADRM CC[C@@H](C)C(=O)Nc1cccc(CNc2ccc(C(=O)[O-])c(C)n2)c1 ZINC001594866028 982172848 /nfs/dbraw/zinc/17/28/48/982172848.db2.gz MZDGKHYEOMDTFZ-GFCCVEGCSA-N -1 0 341.411 3.685 20 0 EHADRM CCCCCC[C@](C)(CC)C(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001595694846 982214508 /nfs/dbraw/zinc/21/45/08/982214508.db2.gz INCJBXAQJGNSFD-LIRRHRJNSA-N -1 0 349.475 3.919 20 0 EHADRM CC[C@@H](C)[C@@H](C)N(C(=O)NCc1ccc(C(=O)[O-])c(OC)c1)C1CC1 ZINC001594881011 982233140 /nfs/dbraw/zinc/23/31/40/982233140.db2.gz KPMZXPYWLZJLCX-CHWSQXEVSA-N -1 0 348.443 3.502 20 0 EHADRM CCCCCC[C@H](CC)C(=O)N[C@@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC001595699193 982257050 /nfs/dbraw/zinc/25/70/50/982257050.db2.gz YBZBUCLHRFSQRA-KBXCAEBGSA-N -1 0 347.455 3.860 20 0 EHADRM O=C([O-])c1coc(C(=O)Nc2ccccc2N2CCCCCC2)c1 ZINC000911151274 982259869 /nfs/dbraw/zinc/25/98/69/982259869.db2.gz HULHWMQZWCIADP-UHFFFAOYSA-N -1 0 328.368 3.611 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)CC(C)(C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001594884406 982263062 /nfs/dbraw/zinc/26/30/62/982263062.db2.gz SMOUXPFQDRGHEH-WBMJQRKESA-N -1 0 339.863 3.914 20 0 EHADRM CCCCCCOc1ccc(CC(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC001595715111 982312318 /nfs/dbraw/zinc/31/23/18/982312318.db2.gz MZXKABQGRYYHFP-HXUWFJFHSA-N -1 0 347.455 3.511 20 0 EHADRM CCCCCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001595715778 982315679 /nfs/dbraw/zinc/31/56/79/982315679.db2.gz DEWPIVGXTOCCOE-KRWDZBQOSA-N -1 0 348.418 3.701 20 0 EHADRM CCCCCOc1ccc(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)cc1 ZINC001595721758 982337362 /nfs/dbraw/zinc/33/73/62/982337362.db2.gz SRDGAXVAQQPXKT-INIZCTEOSA-N -1 0 335.444 3.875 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000911320644 982344826 /nfs/dbraw/zinc/34/48/26/982344826.db2.gz WUTRUQCZOIOPCZ-UHFFFAOYSA-N -1 0 348.786 3.792 20 0 EHADRM CC[C@H](NC(=O)CC1(CC(=O)[O-])CCCC1)c1nc2ccccc2[nH]1 ZINC000911325459 982349574 /nfs/dbraw/zinc/34/95/74/982349574.db2.gz NFFBJMQKGHNHPN-ZDUSSCGKSA-N -1 0 343.427 3.555 20 0 EHADRM CCCCCn1cc(C(=O)N(C)C(C)(C)C(=O)[O-])c2ccccc21 ZINC001595728466 982362079 /nfs/dbraw/zinc/36/20/79/982362079.db2.gz WGTUUNMDDZJEGB-UHFFFAOYSA-N -1 0 330.428 3.767 20 0 EHADRM CCCCN(C(=O)c1ccc(OCC(=O)[O-])cc1)[C@H]1CCC[C@@H](C)C1 ZINC001595735524 982378565 /nfs/dbraw/zinc/37/85/65/982378565.db2.gz HJWHPHHMBXXIDJ-WBVHZDCISA-N -1 0 347.455 3.971 20 0 EHADRM O=C([O-])c1cc(NC(=O)C2(c3cccnc3)CCCC2)cc2[nH]ccc21 ZINC000911388247 982413133 /nfs/dbraw/zinc/41/31/33/982413133.db2.gz XGIHIFBPBGPATO-UHFFFAOYSA-N -1 0 349.390 3.712 20 0 EHADRM O=C([O-])C12CCC(C(=O)NC[C@H]3CCC[C@H](C(F)(F)F)C3)(CC1)C2 ZINC000911391096 982414598 /nfs/dbraw/zinc/41/45/98/982414598.db2.gz USTVMFNUWSRCSW-RBAVJSINSA-N -1 0 347.377 3.506 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1cc(OCc2ccccc2)cs1)C(=O)[O-] ZINC001594911399 982415157 /nfs/dbraw/zinc/41/51/57/982415157.db2.gz DZVASTYVWOXXIS-LRDDRELGSA-N -1 0 347.436 3.556 20 0 EHADRM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)C[C@H](C)CC(=O)[O-] ZINC000911494697 982455340 /nfs/dbraw/zinc/45/53/40/982455340.db2.gz WWJHPZBKVQDBBU-DZGCQCFKSA-N -1 0 332.444 3.813 20 0 EHADRM CCCCOC(=O)c1ccc(NC(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC001595765236 982489626 /nfs/dbraw/zinc/48/96/26/982489626.db2.gz HVTJVGYVIOUWHN-UHFFFAOYSA-N -1 0 347.392 3.656 20 0 EHADRM CC[C@H](C)[C@H](Sc1nc(-c2ccccc2)c(C)c(=O)[nH]1)C(=O)[O-] ZINC001594928786 982543317 /nfs/dbraw/zinc/54/33/17/982543317.db2.gz MTBTUAQNHPMPMD-HZMBPMFUSA-N -1 0 332.425 3.749 20 0 EHADRM CCCCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])cn2)c(Cl)c1 ZINC001595776967 982545091 /nfs/dbraw/zinc/54/50/91/982545091.db2.gz OIQPPNBFTZDJIA-UHFFFAOYSA-N -1 0 348.786 3.864 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CC=C(c3cccc4ccccc43)C2)C1 ZINC000911650955 982584321 /nfs/dbraw/zinc/58/43/21/982584321.db2.gz IHTXNRXIICTLJP-DLBZAZTESA-N -1 0 349.430 3.956 20 0 EHADRM CCCCc1cc(N(CC(=O)[O-])Cc2ccc(Cl)cc2)ncn1 ZINC001595792629 982594328 /nfs/dbraw/zinc/59/43/28/982594328.db2.gz XRDCCULOJSEXBO-UHFFFAOYSA-N -1 0 333.819 3.564 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC001594937190 982598415 /nfs/dbraw/zinc/59/84/15/982598415.db2.gz RXHRKBQCYPXWFI-CRAIPNDOSA-N -1 0 339.435 3.824 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)/C=C\c1ccsc1C(F)(F)F)C(=O)[O-] ZINC001594938718 982608578 /nfs/dbraw/zinc/60/85/78/982608578.db2.gz OWJBCIYQBUZKIZ-ZDTBXWBLSA-N -1 0 349.374 3.786 20 0 EHADRM CCCN(C(=O)c1oc2ccccc2c1CSC)[C@@H](C)C(=O)[O-] ZINC000911711926 982608574 /nfs/dbraw/zinc/60/85/74/982608574.db2.gz PJSNHSOYBOQNJP-NSHDSACASA-N -1 0 335.425 3.621 20 0 EHADRM CC(C)N(C)c1ccccc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000911721730 982612709 /nfs/dbraw/zinc/61/27/09/982612709.db2.gz YPQAKQSDFFPXOR-UHFFFAOYSA-N -1 0 340.423 3.801 20 0 EHADRM CC(C)Oc1c(NC(=O)c2coc(C(F)F)c2)cccc1C(=O)[O-] ZINC000911733993 982618547 /nfs/dbraw/zinc/61/85/47/982618547.db2.gz MEVSYBWDZDJVLG-UHFFFAOYSA-N -1 0 339.294 3.955 20 0 EHADRM CC[C@@H]1C[C@@H](CC(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)CCO1 ZINC000911734499 982619188 /nfs/dbraw/zinc/61/91/88/982619188.db2.gz TVCSBRLCCYOKFB-UONOGXRCSA-N -1 0 349.427 3.706 20 0 EHADRM CC(C)Oc1c(NC(=O)C2Cc3ccccc3C2)cccc1C(=O)[O-] ZINC000911738135 982620596 /nfs/dbraw/zinc/62/05/96/982620596.db2.gz OXGBECZJUWKTEL-UHFFFAOYSA-N -1 0 339.391 3.526 20 0 EHADRM CC(C)Oc1c(NC(=O)CCc2ccc(F)cc2)cccc1C(=O)[O-] ZINC000911739536 982622013 /nfs/dbraw/zinc/62/20/13/982622013.db2.gz TZOBYBCLFTVKQI-UHFFFAOYSA-N -1 0 345.370 3.882 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)c1cc(-c2ccccc2)oc1C)C(=O)[O-] ZINC001594944455 982627275 /nfs/dbraw/zinc/62/72/75/982627275.db2.gz FJBJCDYSBQECEL-WBMJQRKESA-N -1 0 329.396 3.874 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)c1cc2c(cccc2N(C)C)s1)C(=O)[O-] ZINC001594945146 982630749 /nfs/dbraw/zinc/63/07/49/982630749.db2.gz NPTWJSHQUJCJEH-WCQYABFASA-N -1 0 348.468 3.587 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)c1sc2ccc(F)cc2c1C)C(=O)[O-] ZINC001594949481 982649061 /nfs/dbraw/zinc/64/90/61/982649061.db2.gz BKUPBSMXSAJENU-RNCFNFMXSA-N -1 0 337.416 3.968 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)/C=C/c2ccc3ccccc3n2)c1 ZINC000914728817 982653179 /nfs/dbraw/zinc/65/31/79/982653179.db2.gz VXDOVSRZMWZCTQ-CSKARUKUSA-N -1 0 336.322 3.724 20 0 EHADRM Cc1ccc(SCC(=O)Nc2ccc(F)c(C(=O)[O-])c2)c(C)c1 ZINC000914729530 982655646 /nfs/dbraw/zinc/65/56/46/982655646.db2.gz JWCISRMHHXCFAU-UHFFFAOYSA-N -1 0 333.384 3.872 20 0 EHADRM COc1ccc(S[C@H](C)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000917659632 982680931 /nfs/dbraw/zinc/68/09/31/982680931.db2.gz IDSHFSJPOQKMHH-SNVBAGLBSA-N -1 0 349.383 3.652 20 0 EHADRM CCCN(C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F)C(C)C ZINC001595820428 982685488 /nfs/dbraw/zinc/68/54/88/982685488.db2.gz FISKLOZXEZNAQH-CYBMUJFWSA-N -1 0 346.349 3.818 20 0 EHADRM O=C(C[C@@]1(C(=O)[O-])CCSC1)Nc1ccc(OC2CCCC2)cc1 ZINC000064610873 1014869040 /nfs/dbraw/zinc/86/90/40/1014869040.db2.gz LOFCYUUBVSIDFZ-SFHVURJKSA-N -1 0 349.452 3.545 20 0 EHADRM CC[C@@H](C)CCCCC(=O)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001594958475 982697654 /nfs/dbraw/zinc/69/76/54/982697654.db2.gz BYUSIHORFZDYAI-CHWSQXEVSA-N -1 0 338.473 3.764 20 0 EHADRM CC[C@@H](C)CN(CC)C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001594960328 982709512 /nfs/dbraw/zinc/70/95/12/982709512.db2.gz BVQGTWMYFLZGPI-GFCCVEGCSA-N -1 0 329.400 3.833 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C[C@H]2CC=CCC2)C[C@H]1c1ccc(Cl)cc1 ZINC000923079827 982710703 /nfs/dbraw/zinc/71/07/03/982710703.db2.gz NFUZLJUDIZCQRH-RRQGHBQHSA-N -1 0 347.842 3.713 20 0 EHADRM CCCN(C(=O)c1ccc(/C=C\C(=O)[O-])o1)[C@H]1CCc2ccccc21 ZINC001595827374 982713150 /nfs/dbraw/zinc/71/31/50/982713150.db2.gz QUMCVCZZZFLJAR-GKUQOKNUSA-N -1 0 339.391 3.917 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)C(C)(C)Oc1ccc(F)cc1 ZINC000923091384 982717425 /nfs/dbraw/zinc/71/74/25/982717425.db2.gz HZADBNGTHGIQRS-UHFFFAOYSA-N -1 0 337.372 3.690 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)NCCc1ccccc1C(=O)[O-] ZINC000923118729 982737508 /nfs/dbraw/zinc/73/75/08/982737508.db2.gz FYZWTUXTIBRKLV-HNNXBMFYSA-N -1 0 325.408 3.546 20 0 EHADRM CC(C)(CCC(=O)NCCc1ccccc1C(=O)[O-])c1ccccc1 ZINC000923121937 982741375 /nfs/dbraw/zinc/74/13/75/982741375.db2.gz HZNCXDZOSVPECC-UHFFFAOYSA-N -1 0 339.435 3.802 20 0 EHADRM CCSCc1ccccc1C(=O)NCCc1ccccc1C(=O)[O-] ZINC000923133849 982746763 /nfs/dbraw/zinc/74/67/63/982746763.db2.gz VVIIFOXAAWSKPG-UHFFFAOYSA-N -1 0 343.448 3.610 20 0 EHADRM CC[C@H](C)N(CCc1ccccc1F)C(=O)c1oc(C(=O)[O-])cc1C ZINC001594985256 982798614 /nfs/dbraw/zinc/79/86/14/982798614.db2.gz LANNYKZNLKAQGP-ZDUSSCGKSA-N -1 0 347.386 3.909 20 0 EHADRM O=C([O-])CCC1(NC(=O)CCC[C@H](O)c2ccccc2)CCCCC1 ZINC000923216614 982849178 /nfs/dbraw/zinc/84/91/78/982849178.db2.gz KKQDSRLBTLYJRX-KRWDZBQOSA-N -1 0 347.455 3.574 20 0 EHADRM CCCN(CC1CCCCC1)C(=O)NCc1ccccc1CC(=O)[O-] ZINC001595870547 982855472 /nfs/dbraw/zinc/85/54/72/982855472.db2.gz PHTOSNRBTDZYRN-UHFFFAOYSA-N -1 0 346.471 3.816 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1 ZINC000925897202 982866592 /nfs/dbraw/zinc/86/65/92/982866592.db2.gz XFOVLHMJWRPYOC-JKSUJKDBSA-N -1 0 330.428 3.559 20 0 EHADRM CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001594996751 982902162 /nfs/dbraw/zinc/90/21/62/982902162.db2.gz PBWKPLUJIIPBJS-CYBMUJFWSA-N -1 0 345.395 3.702 20 0 EHADRM CC/C(=C/C(=O)NCc1cc(C(=O)[O-])c(C)o1)c1ccc(C)cc1 ZINC001116301255 982927501 /nfs/dbraw/zinc/92/75/01/982927501.db2.gz LEAMUNAGXLJWCZ-ZROIWOOFSA-N -1 0 327.380 3.704 20 0 EHADRM CCn1c(C(=O)N2CCc3cc(C(=O)[O-])ccc32)cc2ccccc21 ZINC001116301662 982928342 /nfs/dbraw/zinc/92/83/42/982928342.db2.gz ZRJGCSYVLVFGGV-UHFFFAOYSA-N -1 0 334.375 3.562 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)NCc2ccc(C(=O)[O-])s2)c1 ZINC001595009396 982934558 /nfs/dbraw/zinc/93/45/58/982934558.db2.gz WUMASRMUUFXZIU-NSHDSACASA-N -1 0 348.424 3.945 20 0 EHADRM CC[C@@H](C)Oc1ccc(NC(=O)/C=C/c2cc(C(=O)[O-])co2)cc1 ZINC001595009351 982934712 /nfs/dbraw/zinc/93/47/12/982934712.db2.gz WDMWOMBUTJTQFD-IDVQTMNDSA-N -1 0 329.352 3.807 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)c1 ZINC001595010006 982938500 /nfs/dbraw/zinc/93/85/00/982938500.db2.gz ZNNUBKQLDUDGIZ-MDAWKPQNSA-N -1 0 331.412 3.838 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)N[C@H](CC(=O)[O-])C1CCCC1 ZINC001595013580 982948855 /nfs/dbraw/zinc/94/88/55/982948855.db2.gz JWZWDMZPZWTKEV-WMLDXEAASA-N -1 0 347.455 3.729 20 0 EHADRM CC[C@@H](C)c1ccccc1OS(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001595015170 982959875 /nfs/dbraw/zinc/95/98/75/982959875.db2.gz GCRAUKZKRCYDJS-CYBMUJFWSA-N -1 0 340.441 3.554 20 0 EHADRM O=C([O-])[C@@H](c1ccccc1Cl)N1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001119002546 982974255 /nfs/dbraw/zinc/97/42/55/982974255.db2.gz RLESLAAGMUQKCB-WMLDXEAASA-N -1 0 349.789 3.758 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)N(C)C(C)(C)CC(=O)[O-] ZINC001119574493 982988294 /nfs/dbraw/zinc/98/82/94/982988294.db2.gz CZEQQSHSOITBSD-NYHXXUGCSA-N -1 0 333.428 3.589 20 0 EHADRM CCCNC(=O)c1cccc(N[C@H](C)c2cc(C(=O)[O-])cs2)c1 ZINC001595931610 983064291 /nfs/dbraw/zinc/06/42/91/983064291.db2.gz NUCFLMWSPSRDSN-LLVKDONJSA-N -1 0 332.425 3.759 20 0 EHADRM CCCOc1c(Cl)cc(/C=C(\C(=O)[O-])c2ncccn2)cc1OC ZINC001595950478 983121048 /nfs/dbraw/zinc/12/10/48/983121048.db2.gz UDSDBTNEVFWMDQ-WQLSENKSSA-N -1 0 348.786 3.553 20 0 EHADRM CCCOc1cc(F)ccc1NC(=O)NC1(CC(=O)[O-])CCCC1 ZINC001595951968 983125700 /nfs/dbraw/zinc/12/57/00/983125700.db2.gz JPUAQGQJSMQKCH-UHFFFAOYSA-N -1 0 338.379 3.524 20 0 EHADRM CCCOc1ccc(CN2Cc3ccc(C(=O)[O-])cc3C2)cc1C ZINC001595954589 983139219 /nfs/dbraw/zinc/13/92/19/983139219.db2.gz OLBQQRUFMHXRNW-UHFFFAOYSA-N -1 0 325.408 3.998 20 0 EHADRM CCCOc1ccc(NC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)c(C)c1 ZINC001595960145 983149032 /nfs/dbraw/zinc/14/90/32/983149032.db2.gz BAQQSPDWNXPNDA-LIRRHRJNSA-N -1 0 346.427 3.502 20 0 EHADRM CCCOc1ccc(NC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1 ZINC001595961147 983157142 /nfs/dbraw/zinc/15/71/42/983157142.db2.gz TXLDXESQZUYHLQ-UHFFFAOYSA-N -1 0 346.358 3.886 20 0 EHADRM CCCOc1cccc(CC(=O)Nc2scc(C)c2C(=O)[O-])c1 ZINC001595968384 983182095 /nfs/dbraw/zinc/18/20/95/983182095.db2.gz COLIJIFILYDDJJ-UHFFFAOYSA-N -1 0 333.409 3.725 20 0 EHADRM CCC[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC001596007655 983262840 /nfs/dbraw/zinc/26/28/40/983262840.db2.gz IFCCMPYDKFUENX-MWLCHTKSSA-N -1 0 345.317 3.701 20 0 EHADRM CCCc1c(NC(=O)c2cccc(C(=O)[O-])c2)cnn1-c1ccccc1 ZINC001596050065 983348770 /nfs/dbraw/zinc/34/87/70/983348770.db2.gz GFKFUSHUIPMZCT-UHFFFAOYSA-N -1 0 349.390 3.775 20 0 EHADRM CCCc1c(N[C@@H]2CC[C@@H](C(=O)[O-])C2)cnn1-c1cccc(C)c1 ZINC001596050454 983348836 /nfs/dbraw/zinc/34/88/36/983348836.db2.gz IKLXCKKCZNOFEB-HUUCEWRRSA-N -1 0 327.428 3.798 20 0 EHADRM CCCc1cc(C(=O)Nc2nc(CC)c(C(=O)[O-])s2)sc1C ZINC001596057047 983363131 /nfs/dbraw/zinc/36/31/31/983363131.db2.gz USQRQVWIBUNEOS-UHFFFAOYSA-N -1 0 338.454 3.978 20 0 EHADRM CCCc1cccc(CN2C[C@@H](C(=O)[O-])Oc3cc(F)ccc32)c1 ZINC001596069458 983384025 /nfs/dbraw/zinc/38/40/25/983384025.db2.gz XZXPOWRTZPZVNQ-SFHVURJKSA-N -1 0 329.371 3.630 20 0 EHADRM CCCc1ccccc1OC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC001596070490 983385365 /nfs/dbraw/zinc/38/53/65/983385365.db2.gz GXFPZPSXRCVUDB-UHFFFAOYSA-N -1 0 342.391 3.939 20 0 EHADRM CCCc1nc(COC(=O)CC2(CC(=O)[O-])CCCC2)cs1 ZINC001596098811 983422400 /nfs/dbraw/zinc/42/24/00/983422400.db2.gz CSGZDLMYYBWRCQ-UHFFFAOYSA-N -1 0 325.430 3.564 20 0 EHADRM CCCc1ncc(C(=O)Nc2c(Cl)ccc(F)c2C(=O)[O-])s1 ZINC001596100474 983423530 /nfs/dbraw/zinc/42/35/30/983423530.db2.gz QORLUMLCULMTOZ-UHFFFAOYSA-N -1 0 342.779 3.839 20 0 EHADRM CCCc1noc(CNc2ccc(Cl)c(C(=O)[O-])c2Cl)n1 ZINC001596101626 983426432 /nfs/dbraw/zinc/42/64/32/983426432.db2.gz RUDJKBGPVVLNME-UHFFFAOYSA-N -1 0 330.171 3.639 20 0 EHADRM CCCn1c(C)nnc1SCc1ccc(C(=O)[O-])c2cccnc12 ZINC001596108569 983434675 /nfs/dbraw/zinc/43/46/75/983434675.db2.gz CVPCKRXOAZKXAQ-UHFFFAOYSA-N -1 0 342.424 3.535 20 0 EHADRM CCCn1c(C)nnc1S[C@H](C(=O)[O-])c1ccccc1Cl ZINC001596108918 983436561 /nfs/dbraw/zinc/43/65/61/983436561.db2.gz WRJINSYFKWSQQT-LBPRGKRZSA-N -1 0 325.821 3.568 20 0 EHADRM CCCn1cc(C(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)c(C)n1 ZINC001596112200 983441236 /nfs/dbraw/zinc/44/12/36/983441236.db2.gz URGYXTYOGLFMDH-MRXNPFEDSA-N -1 0 349.475 3.535 20 0 EHADRM CCCn1cc([C@H](C)Nc2cccc3cc(C(=O)[O-])sc32)nn1 ZINC001596113404 983442797 /nfs/dbraw/zinc/44/27/97/983442797.db2.gz GSLVBEXDPXRQJS-JTQLQIEISA-N -1 0 330.413 3.774 20 0 EHADRM CCCn1ncc(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c1C1CC1 ZINC001596121005 983457563 /nfs/dbraw/zinc/45/75/63/983457563.db2.gz OQLWVORMAHBONI-GFCCVEGCSA-N -1 0 341.411 3.611 20 0 EHADRM CCN(C(=O)[C@H](C)Cc1ccc(OC)cc1)c1ccccc1C(=O)[O-] ZINC001596128157 983472006 /nfs/dbraw/zinc/47/20/06/983472006.db2.gz UCHNXJZKRVRTJO-CQSZACIVSA-N -1 0 341.407 3.625 20 0 EHADRM CCN(C(=O)Cc1nsc2ccccc21)c1ccccc1C(=O)[O-] ZINC001596148392 983505300 /nfs/dbraw/zinc/50/53/00/983505300.db2.gz ZLQSTOUEXWUSKO-UHFFFAOYSA-N -1 0 340.404 3.590 20 0 EHADRM CCN(CC(=O)c1cc(C(=O)[O-])[nH]c1C)c1ccc(Cl)cc1F ZINC001596228064 983619272 /nfs/dbraw/zinc/61/92/72/983619272.db2.gz BWBTVSBAAYJNTR-UHFFFAOYSA-N -1 0 338.766 3.523 20 0 EHADRM CCN(CC)c1ccc(C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001596288977 983708602 /nfs/dbraw/zinc/70/86/02/983708602.db2.gz AJGZHURFYVDAGD-SFHVURJKSA-N -1 0 346.471 3.544 20 0 EHADRM C/C(=C\C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21)c1cccs1 ZINC001588937871 984619930 /nfs/dbraw/zinc/61/99/30/984619930.db2.gz WCOOJYGTMYFMLJ-CNELAYHGSA-N -1 0 327.405 3.757 20 0 EHADRM C/C(=C/C(=O)N1CCc2ccc(C(=O)[O-])cc21)c1cccc(F)c1 ZINC001588940040 984632797 /nfs/dbraw/zinc/63/27/97/984632797.db2.gz WTZKICPKUMYNSV-XFXZXTDPSA-N -1 0 325.339 3.517 20 0 EHADRM C/C(=C\C(=O)NCc1cc(C)c(C(=O)[O-])o1)c1ccccc1Cl ZINC001588942271 984634858 /nfs/dbraw/zinc/63/48/58/984634858.db2.gz DWJZUWATGYVMQG-CSKARUKUSA-N -1 0 333.771 3.659 20 0 EHADRM C/C(=C\C(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccccc1C ZINC001588943855 984641967 /nfs/dbraw/zinc/64/19/67/984641967.db2.gz GKYWEYAFFIFYCE-SDNWHVSQSA-N -1 0 325.364 3.500 20 0 EHADRM C/C(=C/C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1)c1cccs1 ZINC001588944067 984644261 /nfs/dbraw/zinc/64/42/61/984644261.db2.gz NNFHBQVURRGZBI-IEHMKBBKSA-N -1 0 349.383 3.781 20 0 EHADRM C/C(=C\C(=O)Nc1cccc(C(=O)[O-])c1N)c1ccccc1Cl ZINC001588944340 984647493 /nfs/dbraw/zinc/64/74/93/984647493.db2.gz WBOSWCFEVDDKJQ-MDZDMXLPSA-N -1 0 330.771 3.662 20 0 EHADRM C[C@H](NC(=O)N[C@@H]1CC=C(C(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC001599894326 984734091 /nfs/dbraw/zinc/73/40/91/984734091.db2.gz SBMVVXDBIPZXMC-GZMMTYOYSA-N -1 0 343.210 3.527 20 0 EHADRM C[C@H](NC(=O)c1cncc(C(=O)[O-])c1)c1cc(Cl)ccc1Cl ZINC001599903170 984880211 /nfs/dbraw/zinc/88/02/11/984880211.db2.gz YUIMIZHBFZFSER-QMMMGPOBSA-N -1 0 339.178 3.578 20 0 EHADRM C/C(=C/c1c(Cl)cccc1Cl)C(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC001588995135 984921064 /nfs/dbraw/zinc/92/10/64/984921064.db2.gz FITVDPPKOPJOJO-QWGSZXSUSA-N -1 0 342.222 3.766 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC001588998414 984934656 /nfs/dbraw/zinc/93/46/56/984934656.db2.gz KPADXEIWJQOASN-PMXLPMHFSA-N -1 0 341.382 3.788 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)Cc2c(Cl)cccc2Cl)(C(=O)[O-])CC1 ZINC001599907110 984938531 /nfs/dbraw/zinc/93/85/31/984938531.db2.gz GRIFNTVWXOSDHC-HZRBXJLLSA-N -1 0 344.238 3.686 20 0 EHADRM CCOC(=O)c1ccc(SC[C@@H]2CCCC[C@@H]2C(=O)[O-])c(F)c1 ZINC001596729701 984990447 /nfs/dbraw/zinc/99/04/47/984990447.db2.gz UCXJVTXDXWRRSJ-STQMWFEESA-N -1 0 340.416 3.986 20 0 EHADRM C[C@H]1CN(C(=O)/C=C\c2ccc(C(C)(C)C)cc2)CC[C@H]1C(=O)[O-] ZINC001599915528 985049819 /nfs/dbraw/zinc/04/98/19/985049819.db2.gz JXCDJQXVKMXDCY-ILZMZWADSA-N -1 0 329.440 3.567 20 0 EHADRM CC(=O)CCCCOC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001589034695 985073876 /nfs/dbraw/zinc/07/38/76/985073876.db2.gz FAUOWFGEXRYUGA-UHFFFAOYSA-N -1 0 340.375 3.968 20 0 EHADRM CC(=O)CCc1ccc(OC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC001589035407 985084050 /nfs/dbraw/zinc/08/40/50/985084050.db2.gz QPXFFELTZHRWJV-UHFFFAOYSA-N -1 0 346.766 3.779 20 0 EHADRM CC(=O)N(C)c1ccc(NCc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC001589046003 985116041 /nfs/dbraw/zinc/11/60/41/985116041.db2.gz DMDPUYXKIATPHQ-UHFFFAOYSA-N -1 0 332.787 3.633 20 0 EHADRM CCO[C@H](C(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21)C1CCCC1 ZINC001596766232 985170216 /nfs/dbraw/zinc/17/02/16/985170216.db2.gz NCADORQSFCATIO-MSOLQXFVSA-N -1 0 346.423 3.901 20 0 EHADRM CCO[C@H](C(=O)Nc1c(CC)cccc1C(=O)[O-])c1ccccc1 ZINC001596768483 985186801 /nfs/dbraw/zinc/18/68/01/985186801.db2.gz ZQNURWZOTSOTOS-KRWDZBQOSA-N -1 0 327.380 3.664 20 0 EHADRM CCOC(C)(C)CNC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001596768562 985187482 /nfs/dbraw/zinc/18/74/82/985187482.db2.gz HNFPTKAEVKLMKD-UHFFFAOYSA-N -1 0 336.413 3.536 20 0 EHADRM CC[C@@H](C)c1nc(C)c(CC(=O)Nc2ccc(O)c(F)c2F)c(C)n1 ZINC000655137360 1015117944 /nfs/dbraw/zinc/11/79/44/1015117944.db2.gz UCXUBPCHOABLTO-SECBINFHSA-N -1 0 349.381 3.772 20 0 EHADRM C[Si](C)(C)CCCC(=O)NC[C@H](C(=O)[O-])C1CCCCCC1 ZINC001599939909 985442102 /nfs/dbraw/zinc/44/21/02/985442102.db2.gz MAOOJDFVIJQKCW-HNNXBMFYSA-N -1 0 327.541 3.892 20 0 EHADRM Cc1[nH]c(C(=O)[C@@H](C)N2CCCC3(CCCC3)CC2)c(C)c1C(=O)[O-] ZINC001599945059 985511400 /nfs/dbraw/zinc/51/14/00/985511400.db2.gz MSUXTMQUSDOSON-OAHLLOKOSA-N -1 0 346.471 3.947 20 0 EHADRM Cc1[nH]c(C(=O)[C@@H](C)N2CC=C(C(C)(C)C)CC2)c(C)c1C(=O)[O-] ZINC001599945995 985528300 /nfs/dbraw/zinc/52/83/00/985528300.db2.gz QOQVNLIXVOQKOW-CYBMUJFWSA-N -1 0 332.444 3.579 20 0 EHADRM Cc1[nH]c(C(=O)[C@@H](C)Sc2ccc(Cl)cn2)c(C)c1C(=O)[O-] ZINC001599949285 985580467 /nfs/dbraw/zinc/58/04/67/985580467.db2.gz XYYUQVQNJMRDKM-SECBINFHSA-N -1 0 338.816 3.742 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)Sc2ccc(Cl)cn2)c(C)c1C(=O)[O-] ZINC001599949286 985580624 /nfs/dbraw/zinc/58/06/24/985580624.db2.gz XYYUQVQNJMRDKM-VIFPVBQESA-N -1 0 338.816 3.742 20 0 EHADRM CCOC1CCN(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)CC1 ZINC001596855445 985607861 /nfs/dbraw/zinc/60/78/61/985607861.db2.gz QQKBGCVAIXYMIY-UHFFFAOYSA-N -1 0 342.395 3.571 20 0 EHADRM Cc1[nH]c(C(=O)N2CC[C@H]([C@H]3CCCC3(C)C)C2)c(C)c1C(=O)[O-] ZINC001599951225 985610036 /nfs/dbraw/zinc/61/00/36/985610036.db2.gz ORVNDFRLWJOYBL-UONOGXRCSA-N -1 0 332.444 3.618 20 0 EHADRM CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2[O-])c(Cl)c1 ZINC000109103786 1015140695 /nfs/dbraw/zinc/14/06/95/1015140695.db2.gz AWHVDPYNCVBMKQ-UHFFFAOYSA-N -1 0 339.178 3.910 20 0 EHADRM CC(=O)Nc1ccccc1CNc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001589217932 985722033 /nfs/dbraw/zinc/72/20/33/985722033.db2.gz NQARCGKPAFWRNH-ZDUSSCGKSA-N -1 0 326.396 3.520 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)O[C@@H](C)c1nc(C2CC2)cs1 ZINC001599958295 985727484 /nfs/dbraw/zinc/72/74/84/985727484.db2.gz XRSPXZIAQUPUOK-VIFPVBQESA-N -1 0 334.397 3.582 20 0 EHADRM CCOCCC1(C(=O)OCc2cc(C(=O)[O-])ccc2C)CCCC1 ZINC001596899112 985864361 /nfs/dbraw/zinc/86/43/61/985864361.db2.gz IRESXTWBZLXOIF-UHFFFAOYSA-N -1 0 334.412 3.723 20 0 EHADRM Cc1[nH]c(CN2CCc3cc(C(C)(C)C)ccc3C2)cc1C(=O)[O-] ZINC001599964562 985875147 /nfs/dbraw/zinc/87/51/47/985875147.db2.gz NHERICNSKPWWDH-UHFFFAOYSA-N -1 0 326.440 3.877 20 0 EHADRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC001599966388 985913569 /nfs/dbraw/zinc/91/35/69/985913569.db2.gz PXLOAGWLDQKDNB-INIZCTEOSA-N -1 0 348.830 3.893 20 0 EHADRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC001599966600 985917696 /nfs/dbraw/zinc/91/76/96/985917696.db2.gz SCPWVQDVVYPULR-UHFFFAOYSA-N -1 0 348.830 3.989 20 0 EHADRM CC(=O)c1cc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)ccc1C ZINC001589261461 985922129 /nfs/dbraw/zinc/92/21/29/985922129.db2.gz HODOYOKYLROPAK-UHFFFAOYSA-N -1 0 349.745 3.941 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)[C@H]1[C@H](c2ccccc2)[C@@H]1C ZINC001589264196 985932811 /nfs/dbraw/zinc/93/28/11/985932811.db2.gz FBELNTAYIKPZAX-FJNPEDAXSA-N -1 0 338.359 3.543 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cc1C ZINC001589277391 985995487 /nfs/dbraw/zinc/99/54/87/985995487.db2.gz PAAWXKZDASERCM-GFCCVEGCSA-N -1 0 325.364 3.638 20 0 EHADRM COc1cc(F)c(F)cc1NC(=O)c1ccc2oc(=S)[n-]c2c1 ZINC001625805447 1015182775 /nfs/dbraw/zinc/18/27/75/1015182775.db2.gz NGKVUDRRUJZEFQ-UHFFFAOYSA-N -1 0 336.319 3.656 20 0 EHADRM Cc1c(Br)csc1C(=O)Nc1ccsc1C(=O)[O-] ZINC001599973967 986057690 /nfs/dbraw/zinc/05/76/90/986057690.db2.gz HBGYLPPIFZXBJC-UHFFFAOYSA-N -1 0 346.227 3.831 20 0 EHADRM CC(=O)c1csc(C(=O)O[C@@H](CCCc2ccccc2)C(=O)[O-])c1 ZINC001589322619 986134262 /nfs/dbraw/zinc/13/42/62/986134262.db2.gz IUWKJYVCYYJSJP-HNNXBMFYSA-N -1 0 346.404 3.584 20 0 EHADRM Cc1c(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)ccn1C(C)C ZINC001599979749 986146102 /nfs/dbraw/zinc/14/61/02/986146102.db2.gz HCKRCQTYJSVPAA-KRWDZBQOSA-N -1 0 342.439 3.583 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)[C@@H](C)c3ccccc3)ccc2n1C ZINC001599985619 986222679 /nfs/dbraw/zinc/22/26/79/986222679.db2.gz HFOGPYYLUWAWRE-LBPRGKRZSA-N -1 0 337.375 3.894 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1[C@H](C)[C@@H]1c1ccccc1 ZINC001597008753 986336791 /nfs/dbraw/zinc/33/67/91/986336791.db2.gz DDGFHWMQSSBYNB-NXOUGTEYSA-N -1 0 339.391 3.772 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@H]1CC(C)C ZINC001597016655 986385099 /nfs/dbraw/zinc/38/50/99/986385099.db2.gz IQESOAUBHFXPLP-AWEZNQCLSA-N -1 0 334.416 3.826 20 0 EHADRM C[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccccc1F)c1cc2ccccc2o1 ZINC001589378256 986440686 /nfs/dbraw/zinc/44/06/86/986440686.db2.gz GCZAZQDJTJDWKV-DIFFPNOSSA-N -1 0 341.338 3.618 20 0 EHADRM CCOc1cc(C)ccc1NC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001597032753 986457953 /nfs/dbraw/zinc/45/79/53/986457953.db2.gz RBWDHXUSVJKCSC-FOIQADDNSA-N -1 0 339.391 3.591 20 0 EHADRM CCOc1cc(NC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)ccc1C ZINC001597042420 986493112 /nfs/dbraw/zinc/49/31/12/986493112.db2.gz PNIMUMXITVKZDX-OXQOHEQNSA-N -1 0 339.391 3.591 20 0 EHADRM CCOc1ccc(-c2nc(C)c(C(=O)O[C@H](CC)C(=O)[O-])s2)cc1 ZINC001597049779 986524641 /nfs/dbraw/zinc/52/46/41/986524641.db2.gz ZSVCFGVIGIGATM-CYBMUJFWSA-N -1 0 349.408 3.537 20 0 EHADRM CCOc1ccc(Cl)c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC001597105610 986739693 /nfs/dbraw/zinc/73/96/93/986739693.db2.gz GNUNAARDVNFDFQ-NEPJUHHUSA-N -1 0 325.792 3.568 20 0 EHADRM C[C@H](C(=O)Nc1ccc2c(c1)[nH]cc2C(=O)[O-])c1c(F)cccc1F ZINC001589437635 986758187 /nfs/dbraw/zinc/75/81/87/986758187.db2.gz FVNRNXAOMNSBSK-VIFPVBQESA-N -1 0 344.317 3.887 20 0 EHADRM CCOc1ccc(NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C[C@H]2C)c(C(=O)[O-])c1F ZINC001597111580 986768295 /nfs/dbraw/zinc/76/82/95/986768295.db2.gz GJIOYKOFDKQDKT-NOOOWODRSA-N -1 0 335.375 3.543 20 0 EHADRM CCOc1ccc(OCCNc2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC001597132771 986859095 /nfs/dbraw/zinc/85/90/95/986859095.db2.gz PHCGIZRKZNXGNF-UHFFFAOYSA-N -1 0 337.322 3.553 20 0 EHADRM CCOc1cccc([C@@H](C)NC(=O)Nc2ccc(CC(=O)[O-])cc2)c1 ZINC001597150602 986928724 /nfs/dbraw/zinc/92/87/24/986928724.db2.gz QWLUQFDRITXQOV-CYBMUJFWSA-N -1 0 342.395 3.595 20 0 EHADRM CCOc1cccc(Cl)c1CN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001597155870 986955021 /nfs/dbraw/zinc/95/50/21/986955021.db2.gz URNSNDCUOGTWJW-HNNXBMFYSA-N -1 0 345.826 3.923 20 0 EHADRM C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1c1ncc(C(=O)[O-])cn1 ZINC001594665485 986959125 /nfs/dbraw/zinc/95/91/25/986959125.db2.gz GNFMQCMXEVTPRG-MRVPVSSYSA-N -1 0 338.194 3.605 20 0 EHADRM C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1c1ccnc(C(=O)[O-])n1 ZINC001594665878 986961391 /nfs/dbraw/zinc/96/13/91/986961391.db2.gz LXUNITFNEMLFKU-MRVPVSSYSA-N -1 0 338.194 3.605 20 0 EHADRM C[C@H]1c2cc(F)cc(F)c2CCN1CCOc1cccc(C(=O)[O-])c1 ZINC001594666367 986963968 /nfs/dbraw/zinc/96/39/68/986963968.db2.gz UGSVLQQOJQUXPR-LBPRGKRZSA-N -1 0 347.361 3.661 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)CCSc1ccccc1Cl)C1CCC1 ZINC001589472576 986968437 /nfs/dbraw/zinc/96/84/37/986968437.db2.gz RMCOINHCGDCKDG-LLVKDONJSA-N -1 0 341.860 3.676 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1)C1CCC1 ZINC001589477105 986980809 /nfs/dbraw/zinc/98/08/09/986980809.db2.gz LBMDFKSMMLMALC-GFCCVEGCSA-N -1 0 342.439 3.933 20 0 EHADRM C/C=C(\CC)C(=O)OCc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001594676937 987009478 /nfs/dbraw/zinc/00/94/78/987009478.db2.gz UMAFELGRHLETFH-QDEBKDIKSA-N -1 0 331.393 3.908 20 0 EHADRM CCOc1ccccc1CNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001597173021 987010335 /nfs/dbraw/zinc/01/03/35/987010335.db2.gz WFDRDBWIYOMSON-UHFFFAOYSA-N -1 0 348.786 3.759 20 0 EHADRM C/C=C(/C=C\C(=O)N[C@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-])CC ZINC001594677625 987016008 /nfs/dbraw/zinc/01/60/08/987016008.db2.gz PVTVLBDFMXBYQD-GDDPEAFQSA-N -1 0 341.451 3.979 20 0 EHADRM C/C=C\C[C@@H]1CCCN(C(=O)Nc2cc(COC)cc(C(=O)[O-])c2)C1 ZINC001594685756 987057610 /nfs/dbraw/zinc/05/76/10/987057610.db2.gz GCZRVMYEMIISAG-VQTKUKTRSA-N -1 0 346.427 3.741 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@H]2Cc3ccc(Cl)cc32)cc1 ZINC001589502027 987102991 /nfs/dbraw/zinc/10/29/91/987102991.db2.gz CJROUKHOHAWERX-HWPZZCPQSA-N -1 0 329.783 3.807 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N[C@@H]2CCCc3occc32)cc1 ZINC001589513437 987158756 /nfs/dbraw/zinc/15/87/56/987158756.db2.gz TUXKGTXWAYBCPU-XHDPSFHLSA-N -1 0 328.368 3.667 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cccc3cccc(O)c32)cc1 ZINC001589521515 987167040 /nfs/dbraw/zinc/16/70/40/987167040.db2.gz QOFDYKWGHSYVCG-LBPRGKRZSA-N -1 0 335.359 3.986 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cnc(-c3ccco3)s2)cc1 ZINC001589521700 987169044 /nfs/dbraw/zinc/16/90/44/987169044.db2.gz SMGPBJASXYSBBI-JTQLQIEISA-N -1 0 342.376 3.844 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2sccc2OC(F)F)cc1 ZINC001589522533 987178949 /nfs/dbraw/zinc/17/89/49/987178949.db2.gz FBKMUZRKQFEGKF-QMMMGPOBSA-N -1 0 341.335 3.790 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)C2(C(F)(F)F)CCCC2)c1 ZINC001589522881 987183014 /nfs/dbraw/zinc/18/30/14/987183014.db2.gz QZTBYQGOQUKJIH-SNVBAGLBSA-N -1 0 329.318 3.936 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cccc(-c3cnco3)c2)c1 ZINC001589531808 987207546 /nfs/dbraw/zinc/20/75/46/987207546.db2.gz KWUIEYWZKASRKM-GFCCVEGCSA-N -1 0 336.347 3.782 20 0 EHADRM CC[C@@H](C(=O)N(CC(=O)[O-])[C@@H](C)CC)c1cccc(C(F)(F)F)c1 ZINC001594725108 987226491 /nfs/dbraw/zinc/22/64/91/987226491.db2.gz LGWDUQZFUKXLPK-SMDDNHRTSA-N -1 0 345.361 3.911 20 0 EHADRM C[C@H](C(=O)O[C@@H](C(=O)[O-])c1ccccc1Cl)c1cccc(F)c1 ZINC001589538862 987232775 /nfs/dbraw/zinc/23/27/75/987232775.db2.gz AHWGROLISRBPGF-ZUZCIYMTSA-N -1 0 336.746 3.952 20 0 EHADRM CC[C@H](C(=O)N1CCc2ccc(C(=O)[O-])nc2C1)C1CCC(C)CC1 ZINC001594728502 987234876 /nfs/dbraw/zinc/23/48/76/987234876.db2.gz FXFMXRJPZDQHHM-XUJLQICISA-N -1 0 344.455 3.517 20 0 EHADRM CC[C@H](C(=O)N[C@@](C)(CC(=O)[O-])c1ccncc1)C1CCC(C)CC1 ZINC001594728672 987236468 /nfs/dbraw/zinc/23/64/68/987236468.db2.gz IMPFMNOTAVRZTM-OVSDUUTQSA-N -1 0 346.471 3.740 20 0 EHADRM CC[C@H](C(=O)N(CCC(F)(F)F)CC(=O)[O-])C1CCC(C)CC1 ZINC001594729351 987241430 /nfs/dbraw/zinc/24/14/30/987241430.db2.gz HALSQLYJVRNSOB-BPCQOVAHSA-N -1 0 337.382 3.705 20 0 EHADRM CC[C@@H](C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)C1CCC(C)CC1 ZINC001594729573 987243860 /nfs/dbraw/zinc/24/38/60/987243860.db2.gz UQWFCLFFABLCFZ-TVXCHTQYSA-N -1 0 335.488 3.942 20 0 EHADRM CCS[C@@H]1CC[C@@H](N(C)C(=O)CC2(CC(=O)[O-])CCCC2)C1 ZINC001597257431 987261940 /nfs/dbraw/zinc/26/19/40/987261940.db2.gz VTRSQNDQDNVMRH-ZIAGYGMSSA-N -1 0 327.490 3.544 20 0 EHADRM CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001597258693 987272237 /nfs/dbraw/zinc/27/22/37/987272237.db2.gz RYTLFYXPRVDWBP-HUUCEWRRSA-N -1 0 336.457 3.879 20 0 EHADRM C[C@@H](C(=O)OCc1ccc(C(=O)[O-])c(F)c1)c1ccc(F)c(F)c1 ZINC001589548479 987276765 /nfs/dbraw/zinc/27/67/65/987276765.db2.gz DLFOVVOOWNZZFO-SECBINFHSA-N -1 0 338.281 3.649 20 0 EHADRM CCSCC[C@@H](C)N(C)C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC001597259055 987276833 /nfs/dbraw/zinc/27/68/33/987276833.db2.gz DOWSNPFSRTUKEY-CYBMUJFWSA-N -1 0 338.473 3.997 20 0 EHADRM C[C@@H](C(=O)OCC(=O)c1ccc(C(=O)[O-])cc1)c1cccc(Cl)c1 ZINC001589548562 987277297 /nfs/dbraw/zinc/27/72/97/987277297.db2.gz HHFICKAISJFYFW-LLVKDONJSA-N -1 0 346.766 3.568 20 0 EHADRM C[C@H](C(=O)OCCc1ccccc1C(=O)[O-])c1c(F)cccc1F ZINC001589548756 987279749 /nfs/dbraw/zinc/27/97/49/987279749.db2.gz NRHKPGDZJVRAOU-NSHDSACASA-N -1 0 334.318 3.552 20 0 EHADRM CCSCCCNc1nc(C)nc2sc(C(=O)[O-])c(C)c21 ZINC001597261715 987286072 /nfs/dbraw/zinc/28/60/72/987286072.db2.gz UVBQLCDLWMBYLS-UHFFFAOYSA-N -1 0 325.459 3.561 20 0 EHADRM CCSc1cc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)ccn1 ZINC001597267861 987306294 /nfs/dbraw/zinc/30/62/94/987306294.db2.gz ONPDSVXIUBMEHP-LSDHHAIUSA-N -1 0 342.420 3.634 20 0 EHADRM CC(C)(C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)C1CCCCC1 ZINC001589563543 987325644 /nfs/dbraw/zinc/32/56/44/987325644.db2.gz GQQQURPBFIHBMW-ZWKOTPCHSA-N -1 0 343.467 3.920 20 0 EHADRM CCSc1cccc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1 ZINC001597273069 987326113 /nfs/dbraw/zinc/32/61/13/987326113.db2.gz QEBPVMQDJJUPTO-AWEZNQCLSA-N -1 0 335.469 3.762 20 0 EHADRM CCSc1cccc(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)c1 ZINC001597273047 987326330 /nfs/dbraw/zinc/32/63/30/987326330.db2.gz PEMGQOZUAFBSOB-UHFFFAOYSA-N -1 0 345.420 3.904 20 0 EHADRM CC(C)(C(=O)N1CCc2ccc(C(=O)[O-])cc21)c1cccc(Cl)c1 ZINC001589564404 987328267 /nfs/dbraw/zinc/32/82/67/987328267.db2.gz XXXZKSDNJFZVPD-UHFFFAOYSA-N -1 0 343.810 3.905 20 0 EHADRM CCSc1ccc(CC(=O)OCc2ccc(C(=O)[O-])s2)cc1 ZINC001597273497 987329940 /nfs/dbraw/zinc/32/99/40/987329940.db2.gz YCRIMBPASCXAIL-UHFFFAOYSA-N -1 0 336.434 3.844 20 0 EHADRM CCSc1ccccc1C(=O)Nc1cc(C)c(C(=O)[O-])c(C)n1 ZINC001597279790 987345429 /nfs/dbraw/zinc/34/54/29/987345429.db2.gz NXEFZZSPVKEUPK-UHFFFAOYSA-N -1 0 330.409 3.761 20 0 EHADRM CCSc1nnc(SCCOc2cccc(C(=O)[O-])c2)s1 ZINC001597280274 987352602 /nfs/dbraw/zinc/35/26/02/987352602.db2.gz XOVCZOVQXAGHEO-UHFFFAOYSA-N -1 0 342.467 3.519 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)N[C@@H](C1CC1)C1CCC1)c1ccccc1 ZINC001589592802 987404302 /nfs/dbraw/zinc/40/43/02/987404302.db2.gz CHJFDDCIWWGYCV-IAGOWNOFSA-N -1 0 344.455 3.716 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)NCc2ccc(C3CC3)cc2)C1 ZINC001589609510 987454118 /nfs/dbraw/zinc/45/41/18/987454118.db2.gz FXXUWFIPUQSSRU-KRWDZBQOSA-N -1 0 344.455 3.596 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)OCc2cccc(Cl)c2)C1 ZINC001589611330 987462040 /nfs/dbraw/zinc/46/20/40/987462040.db2.gz GDWYFZFUXDUBPI-CYBMUJFWSA-N -1 0 339.819 3.799 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc(F)c(C(F)F)c2)C1 ZINC001589612051 987471182 /nfs/dbraw/zinc/47/11/82/987471182.db2.gz OZPZFJKTKWDSSK-LLVKDONJSA-N -1 0 343.345 3.726 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1OC)c1ccccc1 ZINC001597336797 987476272 /nfs/dbraw/zinc/47/62/72/987476272.db2.gz WLZYMGQSCUQADL-AWEZNQCLSA-N -1 0 328.368 3.666 20 0 EHADRM CC(C)(C(=O)[O-])N(Cc1ccccc1)C(=O)c1cccnc1C(F)F ZINC001589616478 987480613 /nfs/dbraw/zinc/48/06/13/987480613.db2.gz DWHYXFCDMJZTBA-UHFFFAOYSA-N -1 0 348.349 3.525 20 0 EHADRM CCc1[nH]c(C(=O)N([C@@H](C)c2ccccc2)C2CC2)c(C)c1C(=O)[O-] ZINC001597354541 987497028 /nfs/dbraw/zinc/49/70/28/987497028.db2.gz IBLUWOVQMMUTSA-ZDUSSCGKSA-N -1 0 340.423 3.950 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(NC(=O)NCCCC2CCCC2)n1 ZINC001589656544 987620819 /nfs/dbraw/zinc/62/08/19/987620819.db2.gz PYUMRMVAZRLBBW-UHFFFAOYSA-N -1 0 339.461 3.597 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(NC(=O)c2cc(F)ccc2Cl)n1 ZINC001589656761 987622815 /nfs/dbraw/zinc/62/28/15/987622815.db2.gz XSYFHFCIHCTGMH-UHFFFAOYSA-N -1 0 342.779 3.550 20 0 EHADRM CCc1[nH]c(CNc2ccc(C)c(-c3ncco3)c2)cc1C(=O)[O-] ZINC001597394849 987644122 /nfs/dbraw/zinc/64/41/22/987644122.db2.gz HYKXOLBCOOKVOY-UHFFFAOYSA-N -1 0 325.368 3.851 20 0 EHADRM CC(C)(C(=O)OCc1c(Cl)cccc1C(=O)[O-])c1ccc(O)cc1 ZINC001589680717 987705598 /nfs/dbraw/zinc/70/55/98/987705598.db2.gz BERXHPHUSBVWHM-UHFFFAOYSA-N -1 0 348.782 3.765 20 0 EHADRM CCc1c(NCc2nc(C(=O)[O-])cs2)cnn1-c1ccccc1C ZINC001597420267 987733384 /nfs/dbraw/zinc/73/33/84/987733384.db2.gz ZOWKRUWYZLKVKV-UHFFFAOYSA-N -1 0 342.424 3.510 20 0 EHADRM CCc1cc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])ccc1O ZINC001597429939 987769088 /nfs/dbraw/zinc/76/90/88/987769088.db2.gz WTVRLAJZEQRUCX-KRWDZBQOSA-N -1 0 341.407 3.537 20 0 EHADRM CC(C)(C)C(C)(C)CNC(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001589698468 987780947 /nfs/dbraw/zinc/78/09/47/987780947.db2.gz CAQLOQXWNLBCTD-UHFFFAOYSA-N -1 0 332.444 3.525 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)Nc1cccnc1-c1ccccc1 ZINC001589702836 987802887 /nfs/dbraw/zinc/80/28/87/987802887.db2.gz QKBJORZCIPEODI-HNNXBMFYSA-N -1 0 341.411 3.760 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)Nc1csnc1-c1ccccc1 ZINC001589703277 987805791 /nfs/dbraw/zinc/80/57/91/987805791.db2.gz WQZREECRMWYQLC-CYBMUJFWSA-N -1 0 347.440 3.821 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC001597454104 987859565 /nfs/dbraw/zinc/85/95/65/987859565.db2.gz YSMAZTDANJWUNN-MJEQTWJJSA-N -1 0 330.428 3.990 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@H](C)C1CCC(F)CC1 ZINC001597456852 987866307 /nfs/dbraw/zinc/86/63/07/987866307.db2.gz MUIVFVJJRFSQJC-NUYPLMSZSA-N -1 0 336.407 3.986 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCCC1CCC(OC)CC1 ZINC001597457412 987873539 /nfs/dbraw/zinc/87/35/39/987873539.db2.gz KQROSCLFDVDNTL-UHFFFAOYSA-N -1 0 348.443 3.664 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCCCNc1ccccc1 ZINC001597459616 987886851 /nfs/dbraw/zinc/88/68/51/987886851.db2.gz KPDKGDXOGWZAOI-UHFFFAOYSA-N -1 0 341.411 3.571 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCc1ccc(C)cc1C ZINC001597460298 987890843 /nfs/dbraw/zinc/89/08/43/987890843.db2.gz VTMMWUUYAKGGRS-UHFFFAOYSA-N -1 0 326.396 3.886 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cc2c(ccnc2Cl)o1 ZINC001597465452 987904680 /nfs/dbraw/zinc/90/46/80/987904680.db2.gz XKJHOTHZCHPMFN-UHFFFAOYSA-N -1 0 344.754 3.994 20 0 EHADRM CC(C)(C)C1CCC(=CC(=O)N2CCSC[C@@H]2CC(=O)[O-])CC1 ZINC001589726364 987908053 /nfs/dbraw/zinc/90/80/53/987908053.db2.gz JOGUYULHMHUTCC-LOACHALJSA-N -1 0 339.501 3.568 20 0 EHADRM CC(C)(C)C1CCC(=CC(=O)N2CCSC[C@H]2CC(=O)[O-])CC1 ZINC001589726368 987908191 /nfs/dbraw/zinc/90/81/91/987908191.db2.gz JOGUYULHMHUTCC-YSSOQSIOSA-N -1 0 339.501 3.568 20 0 EHADRM CCc1cc(C)c(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)o1 ZINC001597471481 987934258 /nfs/dbraw/zinc/93/42/58/987934258.db2.gz OHFBCVYLUMOIHW-UHFFFAOYSA-N -1 0 325.723 3.893 20 0 EHADRM CCc1cc(NC(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)ccc1F ZINC001597481952 987974387 /nfs/dbraw/zinc/97/43/87/987974387.db2.gz WHTAFCVCSBHUTF-MRXNPFEDSA-N -1 0 344.386 3.686 20 0 EHADRM CCc1cc2c(ccn(Cc3ccc(C(=O)[O-])c(Cl)c3)c2=O)o1 ZINC001597488407 987999152 /nfs/dbraw/zinc/99/91/52/987999152.db2.gz CVVQBRFHDCFWAS-UHFFFAOYSA-N -1 0 331.755 3.557 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001589743381 988025848 /nfs/dbraw/zinc/02/58/48/988025848.db2.gz LTJFDWWAHWRCTE-VXGBXAGGSA-N -1 0 349.324 3.722 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)NCC(C)(C)CC(=O)[O-])c1ccccc1 ZINC001589746225 988046707 /nfs/dbraw/zinc/04/67/07/988046707.db2.gz ZQOFADVUVCBNGQ-HNNXBMFYSA-N -1 0 334.460 3.964 20 0 EHADRM CSCC1(CC(=O)Oc2cccc3c(CC(=O)[O-])cccc23)CC1 ZINC001599793281 988047043 /nfs/dbraw/zinc/04/70/43/988047043.db2.gz BGXUPBYAACAKJF-UHFFFAOYSA-N -1 0 344.432 3.906 20 0 EHADRM CCc1ccc(C(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)cc1 ZINC001597500206 988053406 /nfs/dbraw/zinc/05/34/06/988053406.db2.gz GRCPSUORSINOSA-QKKBWIMNSA-N -1 0 337.419 3.856 20 0 EHADRM CCc1ccc(C(=O)Oc2ccc(CC(=O)[O-])cc2F)cc1CC ZINC001597508371 988086645 /nfs/dbraw/zinc/08/66/45/988086645.db2.gz OKAKHBBBVMGDMD-UHFFFAOYSA-N -1 0 330.355 3.797 20 0 EHADRM CCc1ccc(C(C)(C)C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1 ZINC001597509179 988090779 /nfs/dbraw/zinc/09/07/79/988090779.db2.gz ZUBOTGKNCKTJKQ-UHFFFAOYSA-N -1 0 343.398 3.932 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N[C@](CC)(C(=O)[O-])c2ccccc2)cc1 ZINC001597512208 988097191 /nfs/dbraw/zinc/09/71/91/988097191.db2.gz SLGBDOBSYUNAMJ-BTYIYWSLSA-N -1 0 339.435 3.859 20 0 EHADRM CC(C)(C)CCNC(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001589777267 988144283 /nfs/dbraw/zinc/14/42/83/988144283.db2.gz ZOQDWOVJWOHHIF-UHFFFAOYSA-N -1 0 343.221 3.705 20 0 EHADRM CC(C)(C)C[N@H+](CC(=O)[O-])Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001589779930 988145833 /nfs/dbraw/zinc/14/58/33/988145833.db2.gz BSUDKAQXKPNJAF-UHFFFAOYSA-N -1 0 345.395 3.578 20 0 EHADRM CCc1ccc(CNC(=O)CSCc2cccc(C(=O)[O-])c2)s1 ZINC001597527361 988174359 /nfs/dbraw/zinc/17/43/59/988174359.db2.gz IXMJCSDEXJURGS-UHFFFAOYSA-N -1 0 349.477 3.558 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001599801798 988189261 /nfs/dbraw/zinc/18/92/61/988189261.db2.gz BXZMWRZPHLZCRT-UHFFFAOYSA-N -1 0 342.376 3.641 20 0 EHADRM CSCc1ccc(CNC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC001599802056 988193337 /nfs/dbraw/zinc/19/33/37/988193337.db2.gz AMWHPLVURAAIHR-UHFFFAOYSA-N -1 0 349.839 3.831 20 0 EHADRM CCc1ccc(NC(=O)[C@H]2CCc3cccc(OC)c32)c(C(=O)[O-])c1 ZINC001597543215 988240309 /nfs/dbraw/zinc/24/03/09/988240309.db2.gz XCMJMQHBAPONQP-AWEZNQCLSA-N -1 0 339.391 3.624 20 0 EHADRM CSCc1cccnc1C(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1 ZINC001599805350 988246898 /nfs/dbraw/zinc/24/68/98/988246898.db2.gz XFNKPWCBHYJVDY-UHFFFAOYSA-N -1 0 345.420 3.526 20 0 EHADRM CSCc1nnc(S[C@H](C(=O)[O-])c2c(F)cccc2Cl)o1 ZINC001599805665 988250798 /nfs/dbraw/zinc/25/07/98/988250798.db2.gz PUMSJEWZMPZYBT-JTQLQIEISA-N -1 0 348.808 3.643 20 0 EHADRM CSc1c(F)cccc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC001599806190 988260374 /nfs/dbraw/zinc/26/03/74/988260374.db2.gz PJTDQAWDPQGRBU-UHFFFAOYSA-N -1 0 333.384 3.817 20 0 EHADRM CCc1ccc(NC(=O)N2CCC[C@@H]2c2cccn2C)c(C(=O)[O-])c1 ZINC001597548777 988267166 /nfs/dbraw/zinc/26/71/66/988267166.db2.gz ZZLDCNZMXRBDEP-QGZVFWFLSA-N -1 0 341.411 3.655 20 0 EHADRM CCc1ccc(NC(=O)c2cc(Cl)cc(Cl)n2)c(C(=O)[O-])c1 ZINC001597551379 988274919 /nfs/dbraw/zinc/27/49/19/988274919.db2.gz ZDARFLDEGJNESC-UHFFFAOYSA-N -1 0 339.178 3.901 20 0 EHADRM CSc1cc(Nc2ccc(C[C@H](C)C(=O)[O-])cc2)nc(SC)n1 ZINC001599809936 988317034 /nfs/dbraw/zinc/31/70/34/988317034.db2.gz VDSCHRNLAYQOMO-JTQLQIEISA-N -1 0 349.481 3.927 20 0 EHADRM CCc1ccc2occ(C(=O)N[C@@H](C(=O)[O-])c3ccsc3)c2c1 ZINC001597570267 988342020 /nfs/dbraw/zinc/34/20/20/988342020.db2.gz CKZXVLCGHWUSCY-OAHLLOKOSA-N -1 0 329.377 3.612 20 0 EHADRM CCc1nc(NC(=O)c2coc3ccc(CC)cc23)sc1C(=O)[O-] ZINC001597570595 988348062 /nfs/dbraw/zinc/34/80/62/988348062.db2.gz RBGWUAYXYIEBKF-UHFFFAOYSA-N -1 0 344.392 3.965 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)[C@H](C)Cc1cccc(F)c1 ZINC001597576210 988364244 /nfs/dbraw/zinc/36/42/44/988364244.db2.gz IUKQQOZENCHBDM-GFCCVEGCSA-N -1 0 329.371 3.904 20 0 EHADRM CSc1ccc(C)c(NC(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)c1 ZINC001599812918 988369379 /nfs/dbraw/zinc/36/93/79/988369379.db2.gz RUWBDRDEENLPQP-UHFFFAOYSA-N -1 0 348.424 3.980 20 0 EHADRM CCc1cccc(C)c1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001597578445 988373372 /nfs/dbraw/zinc/37/33/72/988373372.db2.gz FJPFMKNRAOPDEI-SJORKVTESA-N -1 0 338.407 3.992 20 0 EHADRM CCc1cccc(C)c1NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001597579500 988380900 /nfs/dbraw/zinc/38/09/00/988380900.db2.gz ZXMRAVCGHWRRIK-DNVCBOLYSA-N -1 0 330.428 3.666 20 0 EHADRM CCc1cccc(C)c1NC(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC001597579430 988381184 /nfs/dbraw/zinc/38/11/84/988381184.db2.gz YACNUSAEGKFHTR-MRXNPFEDSA-N -1 0 332.444 3.960 20 0 EHADRM CSc1ccc(Cl)c(NC(=O)Cc2ccccc2C(=O)[O-])c1 ZINC001599815114 988408385 /nfs/dbraw/zinc/40/83/85/988408385.db2.gz YWWMJHAJLFXNHK-UHFFFAOYSA-N -1 0 335.812 3.941 20 0 EHADRM CSc1ccc(NC(=O)/C=C/c2cnc(C)s2)cc1C(=O)[O-] ZINC001599815622 988417756 /nfs/dbraw/zinc/41/77/56/988417756.db2.gz DKEURKXXJRRPDI-GQCTYLIASA-N -1 0 334.422 3.524 20 0 EHADRM CCc1c(C(=O)Nc2c(CC)cccc2C(=O)[O-])cnn1CC(C)C ZINC001597593043 988425226 /nfs/dbraw/zinc/42/52/26/988425226.db2.gz LJMGPRIXQARSMC-UHFFFAOYSA-N -1 0 343.427 3.614 20 0 EHADRM CSc1ccc(NC(=O)c2ccc(C(C)=O)cc2F)cc1C(=O)[O-] ZINC001599817601 988453745 /nfs/dbraw/zinc/45/37/45/988453745.db2.gz NOCUZMREOMZWNT-UHFFFAOYSA-N -1 0 347.367 3.701 20 0 EHADRM CSc1ccc(NC(=O)c2cccc3oc(C)nc32)cc1C(=O)[O-] ZINC001599818048 988462963 /nfs/dbraw/zinc/46/29/63/988462963.db2.gz YMLGMMNOYWGYLV-UHFFFAOYSA-N -1 0 342.376 3.809 20 0 EHADRM CCc1ccccc1CC(=O)OCc1c(F)cc(C(=O)[O-])cc1F ZINC001597609424 988495361 /nfs/dbraw/zinc/49/53/61/988495361.db2.gz PIPOUUCQNIMKLS-UHFFFAOYSA-N -1 0 334.318 3.511 20 0 EHADRM CSc1ccc(OCCSCc2cccc(C(=O)[O-])n2)cc1 ZINC001599820054 988496141 /nfs/dbraw/zinc/49/61/41/988496141.db2.gz HLHYYGDPWLNVJZ-UHFFFAOYSA-N -1 0 335.450 3.814 20 0 EHADRM CCc1ccccc1CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC001597609881 988501007 /nfs/dbraw/zinc/50/10/07/988501007.db2.gz XUPQNEAPAPQIFP-KRWDZBQOSA-N -1 0 345.826 3.777 20 0 EHADRM CCc1ccccc1OCC(=O)Nc1c(CC)cccc1C(=O)[O-] ZINC001597616222 988537464 /nfs/dbraw/zinc/53/74/64/988537464.db2.gz JLLLUHXIMLDOSY-UHFFFAOYSA-N -1 0 327.380 3.527 20 0 EHADRM CSc1cccc(Nc2ccc(NC(=O)[C@@H](C)CC(=O)[O-])nc2)c1 ZINC001599823172 988550215 /nfs/dbraw/zinc/55/02/15/988550215.db2.gz BAFPSLVSPSCYJK-NSHDSACASA-N -1 0 345.424 3.596 20 0 EHADRM CSc1ccccc1[C@H](C)NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001599826038 988599744 /nfs/dbraw/zinc/59/97/44/988599744.db2.gz FBVKMDIBZSKXKB-UQSGXBNBSA-N -1 0 331.393 3.590 20 0 EHADRM CCc1cncc(C(=O)O[C@H](c2ccc(C(=O)[O-])cc2)C(F)F)c1 ZINC001597633929 988608836 /nfs/dbraw/zinc/60/88/36/988608836.db2.gz HVWDGAQYRNCIMP-CQSZACIVSA-N -1 0 335.306 3.505 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)Nc1ccc(Oc2ccc(F)cc2)cc1 ZINC001599832277 988692283 /nfs/dbraw/zinc/69/22/83/988692283.db2.gz CYYZRIHZTSIMON-NSHDSACASA-N -1 0 332.331 3.603 20 0 EHADRM CCc1nc(C(C)C)ccc1COC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001597652827 988700361 /nfs/dbraw/zinc/70/03/61/988700361.db2.gz RYXVQRIHQGRVPA-UHFFFAOYSA-N -1 0 341.407 3.752 20 0 EHADRM CCc1nc(CC(=O)Oc2cc3ccccc3cc2C(=O)[O-])cs1 ZINC001597663385 988741598 /nfs/dbraw/zinc/74/15/98/988741598.db2.gz YWKLNEZAYPDEEO-UHFFFAOYSA-N -1 0 341.388 3.705 20 0 EHADRM C[C@@H](NC(=O)N1CCc2cccc(C(=O)[O-])c2C1)C1CCCCCC1 ZINC001599838504 988784328 /nfs/dbraw/zinc/78/43/28/988784328.db2.gz IMYBOOHYRDABQK-CQSZACIVSA-N -1 0 344.455 3.811 20 0 EHADRM CCc1nc(NC(=O)[C@H]2CCC[C@@H]2c2ccccc2)sc1C(=O)[O-] ZINC001597676618 988791946 /nfs/dbraw/zinc/79/19/46/988791946.db2.gz YGFMPTBQKRXWSN-OLZOCXBDSA-N -1 0 344.436 3.926 20 0 EHADRM C[C@@H](NC(=O)NCCCCCCC(=O)[O-])c1cc(Cl)ccc1F ZINC001599839681 988804298 /nfs/dbraw/zinc/80/42/98/988804298.db2.gz LNVDIVMKLFRLFP-LLVKDONJSA-N -1 0 344.814 3.874 20 0 EHADRM CCc1nc(NC(=O)c2cccc(-c3ccoc3)c2)sc1C(=O)[O-] ZINC001597684919 988824251 /nfs/dbraw/zinc/82/42/51/988824251.db2.gz CTQWHWNJGYZNBU-UHFFFAOYSA-N -1 0 342.376 3.916 20 0 EHADRM C[C@@H](Nc1ncc(C(=O)[O-])cc1C(F)(F)F)c1ncccc1F ZINC001599842671 988871089 /nfs/dbraw/zinc/87/10/89/988871089.db2.gz WAWFUXYPPYNCFQ-SSDOTTSWSA-N -1 0 329.253 3.506 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001599847010 988950301 /nfs/dbraw/zinc/95/03/01/988950301.db2.gz FLJOFRDUIJZVOM-NSHDSACASA-N -1 0 347.802 3.587 20 0 EHADRM CC(C)(C)OC(=O)N1CCCC[C@H](COc2cccc(C(=O)[O-])c2)C1 ZINC001590025862 989020226 /nfs/dbraw/zinc/02/02/26/989020226.db2.gz MNOAAFADCHDPFI-AWEZNQCLSA-N -1 0 349.427 3.801 20 0 EHADRM CCc1nocc1CN(C)C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC001597757032 989178525 /nfs/dbraw/zinc/17/85/25/989178525.db2.gz WLOTXBRFUAQYCX-UHFFFAOYSA-N -1 0 349.412 3.538 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1ccc(-n2cccn2)cc1C ZINC001597767190 989217670 /nfs/dbraw/zinc/21/76/70/989217670.db2.gz GWJSIZHDXKCMCL-UHFFFAOYSA-N -1 0 325.368 3.646 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCCCc1ccc(Cl)cc1 ZINC001599877457 989437909 /nfs/dbraw/zinc/43/79/09/989437909.db2.gz UGNPHFLJBVOIRO-UKRRQHHQSA-N -1 0 337.847 3.765 20 0 EHADRM CCc1sc(C(=O)N[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)cc1C ZINC001597818202 989451904 /nfs/dbraw/zinc/45/19/04/989451904.db2.gz MZLPETGANOWDIY-MRXNPFEDSA-N -1 0 331.437 3.791 20 0 EHADRM CCn1c(C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)cc2ccccc21 ZINC001597836161 989520282 /nfs/dbraw/zinc/52/02/82/989520282.db2.gz IJYBGXAVTZEYFT-MRXNPFEDSA-N -1 0 342.439 3.672 20 0 EHADRM CCn1cc(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)c(-c2ccccc2)n1 ZINC001597879551 989699305 /nfs/dbraw/zinc/69/93/05/989699305.db2.gz LGZISUZYWGXTFB-UHFFFAOYSA-N -1 0 349.390 3.829 20 0 EHADRM CCn1cc(CC(=O)Nc2sc(C)cc2C(=O)[O-])c2ccccc21 ZINC001597884834 989723280 /nfs/dbraw/zinc/72/32/80/989723280.db2.gz XLTSRQUEKYPSJG-UHFFFAOYSA-N -1 0 342.420 3.911 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccccc1NCc1ccoc1C(=O)[O-] ZINC001590318746 989748979 /nfs/dbraw/zinc/74/89/79/989748979.db2.gz JDOPVMPEMNKDTG-UHFFFAOYSA-N -1 0 332.356 3.937 20 0 EHADRM CCn1ccnc1[C@H]1CCCCN1Cc1cc(C(=O)[O-])sc1C ZINC001597916364 989833516 /nfs/dbraw/zinc/83/35/16/989833516.db2.gz KSAQSYHQVJAKQW-CQSZACIVSA-N -1 0 333.457 3.698 20 0 EHADRM CC(C)(C)OCc1ccccc1NC(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001590398572 989930170 /nfs/dbraw/zinc/93/01/70/989930170.db2.gz HALDBPGTSFUSQV-HNNXBMFYSA-N -1 0 348.443 3.624 20 0 EHADRM CC(C)(C)OCc1ccccc1NC(=O)NCCCCCC(=O)[O-] ZINC001590398797 989932281 /nfs/dbraw/zinc/93/22/81/989932281.db2.gz ONEQXNBZLNPHRL-UHFFFAOYSA-N -1 0 336.432 3.768 20 0 EHADRM CC(C)(C)c1cc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])no1 ZINC001590453991 990019833 /nfs/dbraw/zinc/01/98/33/990019833.db2.gz HWYQQFMKBXDNGK-HNNXBMFYSA-N -1 0 344.411 3.554 20 0 EHADRM CC(C)(C)c1ccc(C(=O)NCc2ccc(C(=O)[O-])cn2)cc1Cl ZINC001590475846 990051878 /nfs/dbraw/zinc/05/18/78/990051878.db2.gz YYPNDRZJNIEZKD-UHFFFAOYSA-N -1 0 346.814 3.661 20 0 EHADRM CC(C)(C)c1ccc(CC(=O)N2CCc3c2cccc3C(=O)[O-])cc1 ZINC001590479453 990052558 /nfs/dbraw/zinc/05/25/58/990052558.db2.gz BAVWICVKDNQBFY-UHFFFAOYSA-N -1 0 337.419 3.814 20 0 EHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2CCCSC2)cc1 ZINC001590481470 990072744 /nfs/dbraw/zinc/07/27/44/990072744.db2.gz DDDCULACHINXIX-GDBMZVCRSA-N -1 0 349.496 3.759 20 0 EHADRM CC(C)(C)c1ccc(SCC(=O)NC2(CC(=O)[O-])CCCC2)cc1 ZINC001590501050 990116543 /nfs/dbraw/zinc/11/65/43/990116543.db2.gz QFHOUVIFAFHIGC-UHFFFAOYSA-N -1 0 349.496 3.980 20 0 EHADRM CC(C)(C)c1coc(CN[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])n1 ZINC001590526864 990138711 /nfs/dbraw/zinc/13/87/11/990138711.db2.gz LVVGYONYXPLDMI-INIZCTEOSA-N -1 0 330.428 3.914 20 0 EHADRM CN(C(=O)CSc1ccc(C(C)(C)C)cc1)C(C)(C)CC(=O)[O-] ZINC001598033086 990253660 /nfs/dbraw/zinc/25/36/60/990253660.db2.gz FWUQLYNVNZBSTA-UHFFFAOYSA-N -1 0 337.485 3.788 20 0 EHADRM CC(C)(/C=C/Cl)NC(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001590615076 990286438 /nfs/dbraw/zinc/28/64/38/990286438.db2.gz IKNLQMVBLKNOHD-AATRIKPKSA-N -1 0 333.775 3.586 20 0 EHADRM CN(C(=O)NC1CC(CC(=O)[O-])C1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC001598049591 990298064 /nfs/dbraw/zinc/29/80/64/990298064.db2.gz UXNLHCGEFCQCEP-KXIUCKCTSA-N -1 0 344.455 3.608 20 0 EHADRM CN(C(=O)Nc1cccc(C(=O)[O-])n1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001598062168 990337170 /nfs/dbraw/zinc/33/71/70/990337170.db2.gz UENPKLBELFEMOU-ZBFHGGJFSA-N -1 0 339.395 3.580 20 0 EHADRM CN(C(=O)Nc1cccc(C(=O)[O-])n1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001598062166 990337222 /nfs/dbraw/zinc/33/72/22/990337222.db2.gz UENPKLBELFEMOU-GOEBONIOSA-N -1 0 339.395 3.580 20 0 EHADRM CC(C)(CCCc1ccccc1)CNC(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001590664800 990364308 /nfs/dbraw/zinc/36/43/08/990364308.db2.gz OMGYLDVOVODQAI-KRWDZBQOSA-N -1 0 344.455 3.508 20 0 EHADRM CN(C(=O)c1[nH]c2ccccc2c1CC(=O)[O-])c1cccc2cc[nH]c21 ZINC001598073019 990374695 /nfs/dbraw/zinc/37/46/95/990374695.db2.gz POTXZPVBOUBSEM-UHFFFAOYSA-N -1 0 347.374 3.553 20 0 EHADRM CN(C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)[C@H]1CCC[C@H]1c1ccccc1 ZINC001598073284 990376407 /nfs/dbraw/zinc/37/64/07/990376407.db2.gz YGOBMGCTRPWYRR-XSLAGTTESA-N -1 0 329.440 3.672 20 0 EHADRM CN(C(=O)c1cc2sccc2c(O)c1)[C@H](C(=O)[O-])c1ccccc1 ZINC001598079117 990392062 /nfs/dbraw/zinc/39/20/62/990392062.db2.gz RVXUQDXHDWFCBT-INIZCTEOSA-N -1 0 341.388 3.505 20 0 EHADRM CN(C(=O)c1ccc(OCC(=O)[O-])cc1)C1CCC(C(C)(C)C)CC1 ZINC001598087671 990418628 /nfs/dbraw/zinc/41/86/28/990418628.db2.gz HQTSNSYBJKRXFM-UHFFFAOYSA-N -1 0 347.455 3.827 20 0 EHADRM CN(C(=O)c1ccsc1C(F)(F)F)[C@H](C(=O)[O-])c1ccccc1 ZINC001598096557 990452561 /nfs/dbraw/zinc/45/25/61/990452561.db2.gz VRSMHVKFFZDNST-NSHDSACASA-N -1 0 343.326 3.665 20 0 EHADRM CN(C(=O)c1coc2ccc(Cl)cc12)[C@H](C(=O)[O-])c1ccccc1 ZINC001598103133 990468776 /nfs/dbraw/zinc/46/87/76/990468776.db2.gz KZIWVGUKWWWVAE-INIZCTEOSA-N -1 0 343.766 3.984 20 0 EHADRM CC(C)(CNC(=O)Nc1cccc(F)c1C(C)(F)F)CC(=O)[O-] ZINC001590738167 990530447 /nfs/dbraw/zinc/53/04/47/990530447.db2.gz DJDFZCNNNSREOE-UHFFFAOYSA-N -1 0 332.322 3.560 20 0 EHADRM CC(C)(CNC(=O)Nc1cccc2c(Cl)nccc12)CC(=O)[O-] ZINC001590738420 990533280 /nfs/dbraw/zinc/53/32/80/990533280.db2.gz PDSIPAXDOSGYRC-UHFFFAOYSA-N -1 0 335.791 3.511 20 0 EHADRM CC(C)(c1noc(CCc2ccccc2C(=O)[O-])n1)c1ccccc1 ZINC001590909248 990879728 /nfs/dbraw/zinc/87/97/28/990879728.db2.gz VWUAIRZFEWXKBL-UHFFFAOYSA-N -1 0 336.391 3.879 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)C1(C)C ZINC001590914537 990898849 /nfs/dbraw/zinc/89/88/49/990898849.db2.gz JDRVFGXKHDYVHO-IXDOHACOSA-N -1 0 329.440 3.784 20 0 EHADRM CC(C)=CCC[C@H](C)NC(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001590922068 990917116 /nfs/dbraw/zinc/91/71/16/990917116.db2.gz SNDXXRBQVRGQPO-ZDUSSCGKSA-N -1 0 348.418 3.727 20 0 EHADRM CC(C)C(=O)c1ccc([C@@H](C)C(=O)OCc2ccoc2C(=O)[O-])cc1 ZINC001590948925 991001902 /nfs/dbraw/zinc/00/19/02/991001902.db2.gz GNBUFMPVVYFCNL-GFCCVEGCSA-N -1 0 344.363 3.663 20 0 EHADRM CC(C)C(=O)c1ccc(NC(=O)N[C@H](CC(=O)[O-])C2CCCC2)cc1 ZINC001590949639 991008845 /nfs/dbraw/zinc/00/88/45/991008845.db2.gz XHBOIOMBJYTAQT-MRXNPFEDSA-N -1 0 346.427 3.680 20 0 EHADRM COc1cccc2c1CCCCN2C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001599690764 991064832 /nfs/dbraw/zinc/06/48/32/991064832.db2.gz SEDZULDFRDWNDV-UHFFFAOYSA-N -1 0 340.379 3.768 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001590968055 991088884 /nfs/dbraw/zinc/08/88/84/991088884.db2.gz NACOFMUZFYAWIK-UIFIKXQLSA-N -1 0 343.467 3.747 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)Nc1sc(C)cc1C(=O)[O-] ZINC001599699200 991193702 /nfs/dbraw/zinc/19/37/02/991193702.db2.gz WJYZKRIKSBKACR-NTMALXAHSA-N -1 0 331.393 3.805 20 0 EHADRM COc1ccccc1C1(C(=O)Nc2ccc(C(=O)[O-])cc2C)CCC1 ZINC001599702930 991247510 /nfs/dbraw/zinc/24/75/10/991247510.db2.gz VAKYBEFEAVZNDH-UHFFFAOYSA-N -1 0 339.391 3.762 20 0 EHADRM COc1ccccc1[C@@H]1CC[C@@H](C)CN1Cc1nc(C(=O)[O-])cs1 ZINC001599704288 991269940 /nfs/dbraw/zinc/26/99/40/991269940.db2.gz PHHXXUDQKWTRPF-DOMZBBRYSA-N -1 0 346.452 3.823 20 0 EHADRM COc1ccccc1C1(NCc2cc(C(=O)[O-])ccc2Cl)CC1 ZINC001599704803 991276564 /nfs/dbraw/zinc/27/65/64/991276564.db2.gz ZATXUWVDEAWFPN-UHFFFAOYSA-N -1 0 331.799 3.826 20 0 EHADRM CC(C)[C@H](NCc1ccc(C(=O)[O-])cc1F)c1nc2ccccc2[nH]1 ZINC001591030280 991331348 /nfs/dbraw/zinc/33/13/48/991331348.db2.gz HHSXJQJRZKQQDX-KRWDZBQOSA-N -1 0 341.386 3.887 20 0 EHADRM COc1ccccc1CN(Cc1ccc(/C=C\C(=O)[O-])o1)C1CC1 ZINC001599711441 991377727 /nfs/dbraw/zinc/37/77/27/991377727.db2.gz YKEXOZPMIDTEBK-KHPPLWFESA-N -1 0 327.380 3.551 20 0 EHADRM CC(C)[C@@H](SCc1ccccc1)C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001591053056 991463275 /nfs/dbraw/zinc/46/32/75/991463275.db2.gz ZLCRDRMBARLYNE-GMBSWORKSA-N -1 0 349.496 3.514 20 0 EHADRM CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001591059071 991481077 /nfs/dbraw/zinc/48/10/77/991481077.db2.gz ZIEXHWAEOQNBBU-IOASZLSFSA-N -1 0 343.345 3.787 20 0 EHADRM CC(C)[C@@H]1C[C@H]1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001591078918 991568431 /nfs/dbraw/zinc/56/84/31/991568431.db2.gz AFAQMRJUIBTSMP-LSDHHAIUSA-N -1 0 327.380 3.534 20 0 EHADRM CC(C)[C@@H]1C[C@H]1C(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001591080583 991585324 /nfs/dbraw/zinc/58/53/24/991585324.db2.gz UBGUCIIAKXBMJA-LSDHHAIUSA-N -1 0 345.420 3.844 20 0 EHADRM CC(C)[C@H]1CCC[C@H](NC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)CC1 ZINC001591081856 991595188 /nfs/dbraw/zinc/59/51/88/991595188.db2.gz LYADCKGYIHRJFK-GGXPGOJBSA-N -1 0 336.476 3.630 20 0 EHADRM CC(C)[C@@H]1N(C(=O)c2csc(C(=O)[O-])n2)CC12CCCCCC2 ZINC001591098694 991704588 /nfs/dbraw/zinc/70/45/88/991704588.db2.gz DIZFTCVYNHMCNR-ZDUSSCGKSA-N -1 0 336.457 3.662 20 0 EHADRM CC(C)[C@@H]1N(C(=O)c2cccc(CC(=O)[O-])c2)CC12CCCCC2 ZINC001591100122 991719892 /nfs/dbraw/zinc/71/98/92/991719892.db2.gz STLWVLPEPNRFHT-SFHVURJKSA-N -1 0 329.440 3.745 20 0 EHADRM CC(C)CC(=O)Nc1ccc(N[C@@H](C)c2cncc(C(=O)[O-])c2)cc1 ZINC001591111175 991766002 /nfs/dbraw/zinc/76/60/02/991766002.db2.gz NJKACVCDOJKTCQ-ZDUSSCGKSA-N -1 0 341.411 3.938 20 0 EHADRM CC(C)C[C@@H](C)NC(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001591137731 991846706 /nfs/dbraw/zinc/84/67/06/991846706.db2.gz JTECJGHHAHDVHH-MFKMUULPSA-N -1 0 346.349 3.722 20 0 EHADRM CC(C)CC(CC(C)C)C(=O)N[C@](C)(CC(=O)[O-])c1ccccn1 ZINC001591142484 991865619 /nfs/dbraw/zinc/86/56/19/991865619.db2.gz DEMJZSCOTNGTLY-LJQANCHMSA-N -1 0 334.460 3.596 20 0 EHADRM CC(C)CC(CC(C)C)C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC001591142740 991866721 /nfs/dbraw/zinc/86/67/21/991866721.db2.gz INLNEXNUSBRJKT-SFHVURJKSA-N -1 0 333.472 3.897 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC001591156311 991903230 /nfs/dbraw/zinc/90/32/30/991903230.db2.gz VIOHAKYJBRTCDK-MRXNPFEDSA-N -1 0 341.407 3.956 20 0 EHADRM CC(C)C[C@H](SCc1nc(C(=O)[O-])cs1)C(=O)OC(C)(C)C ZINC001591190823 991996250 /nfs/dbraw/zinc/99/62/50/991996250.db2.gz AYQNFGQYSBGCQE-NSHDSACASA-N -1 0 345.486 3.831 20 0 EHADRM CC(C)C[C@H](SCC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC001591191080 991999956 /nfs/dbraw/zinc/99/99/56/991999956.db2.gz NLPIOPUVXOVDJO-AWEZNQCLSA-N -1 0 345.505 3.866 20 0 EHADRM CC(C)CC1(CNC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)CCCC1 ZINC001591196781 992013797 /nfs/dbraw/zinc/01/37/97/992013797.db2.gz MOAJHRXFVJHEOQ-LAUBAEHRSA-N -1 0 343.467 3.968 20 0 EHADRM CC(C)C[C@@H]1CCCN(C(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)C1 ZINC001591207430 992040310 /nfs/dbraw/zinc/04/03/10/992040310.db2.gz LMHZAYGDKKKHKS-KNBMTAEXSA-N -1 0 329.440 3.530 20 0 EHADRM CC(C)CCC(=O)OCc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001591213747 992066890 /nfs/dbraw/zinc/06/68/90/992066890.db2.gz BGJWBJVCNYPYPP-UHFFFAOYSA-N -1 0 333.409 3.988 20 0 EHADRM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001591220755 992082097 /nfs/dbraw/zinc/08/20/97/992082097.db2.gz CAQLOSWXTQAJRM-OCCSQVGLSA-N -1 0 338.473 3.850 20 0 EHADRM CC(C)CC[C@H](NS(=O)(=O)c1ccccc1C(=O)[O-])C(C)(C)C ZINC001591223127 992095872 /nfs/dbraw/zinc/09/58/72/992095872.db2.gz XLZLMHPZRUPEJX-HNNXBMFYSA-N -1 0 341.473 3.514 20 0 EHADRM CC(C)CCCCC(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001591228357 992103923 /nfs/dbraw/zinc/10/39/23/992103923.db2.gz DWQBZKHFAQKMJT-MRXNPFEDSA-N -1 0 331.412 3.761 20 0 EHADRM CC(C)CCCCC(=O)Nc1cc2c(cc1C(=O)[O-])OCCCO2 ZINC001591236729 992118753 /nfs/dbraw/zinc/11/87/53/992118753.db2.gz NKKQDSOBOCMTIC-UHFFFAOYSA-N -1 0 335.400 3.701 20 0 EHADRM CC(C)CN(C(=O)C(F)(F)c1cccc(Cl)c1)C(C)(C)C(=O)[O-] ZINC001591281599 992217084 /nfs/dbraw/zinc/21/70/84/992217084.db2.gz UPPZWZYCTKDLNR-UHFFFAOYSA-N -1 0 347.789 3.780 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)C/C=C\c1ccc(F)cc1 ZINC001591309542 992267232 /nfs/dbraw/zinc/26/72/32/992267232.db2.gz ZOXULLJKNUMANA-WAYWQWQTSA-N -1 0 335.419 3.824 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC001591310079 992270478 /nfs/dbraw/zinc/27/04/78/992270478.db2.gz QSBRPPQBNBNRPH-HZPDHXFCSA-N -1 0 335.419 3.525 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1 ZINC001591321631 992288954 /nfs/dbraw/zinc/28/89/54/992288954.db2.gz BGQLKMRNHJMOLG-HNNXBMFYSA-N -1 0 349.471 3.711 20 0 EHADRM O=C(N[C@@H]1CCOc2c(-c3ccccc3)cccc21)c1cncc(O)c1 ZINC000339822674 1015703656 /nfs/dbraw/zinc/70/36/56/1015703656.db2.gz OQAGEYHTESUIEY-LJQANCHMSA-N -1 0 346.386 3.708 20 0 EHADRM CSC(C)(C)CNC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001599782067 992377788 /nfs/dbraw/zinc/37/77/88/992377788.db2.gz HLQQLBXIUQYDAM-UHFFFAOYSA-N -1 0 342.486 3.517 20 0 EHADRM CS[C@@H](C)CCC(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC001599782601 992384672 /nfs/dbraw/zinc/38/46/72/992384672.db2.gz GJDIXKWLVPHDME-JTQLQIEISA-N -1 0 337.466 3.747 20 0 EHADRM CS[C@H](C)CCC(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001599783378 992394438 /nfs/dbraw/zinc/39/44/38/992394438.db2.gz OVCXATZWJKSQQU-RNCFNFMXSA-N -1 0 349.374 3.636 20 0 EHADRM CC(C)COc1cccc(C(=O)Oc2ccc(CC(=O)[O-])cc2F)c1 ZINC001591401594 992473990 /nfs/dbraw/zinc/47/39/90/992473990.db2.gz NCEFDPWCPPKXTE-UHFFFAOYSA-N -1 0 346.354 3.707 20 0 EHADRM CC(C)CSCCCn1cc(CC2(C(=O)[O-])CCCCC2)nn1 ZINC001591416373 992497365 /nfs/dbraw/zinc/49/73/65/992497365.db2.gz XFGGAGJJXJYAPU-UHFFFAOYSA-N -1 0 339.505 3.635 20 0 EHADRM CC(C)C[C@@H]1C[C@H]1C(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001591441833 992538874 /nfs/dbraw/zinc/53/88/74/992538874.db2.gz SBJGNVVMTMFCAJ-DDUZABMNSA-N -1 0 337.847 3.524 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CCCCc1ccccc1 ZINC001598509734 992554975 /nfs/dbraw/zinc/55/49/75/992554975.db2.gz CCFOQQHGIAUIBS-UHFFFAOYSA-N -1 0 325.408 3.756 20 0 EHADRM CC(C)Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)cc1 ZINC001591477726 992599559 /nfs/dbraw/zinc/59/95/59/992599559.db2.gz YXLVEEBTXFYXKQ-FHWLQOOXSA-N -1 0 343.467 3.991 20 0 EHADRM CC(C)Cc1ccccc1C(=O)N1C[C@@H](C(=O)[O-])Cc2ccccc21 ZINC001591488606 992616941 /nfs/dbraw/zinc/61/69/41/992616941.db2.gz HAIDPGPBLWXQOJ-KRWDZBQOSA-N -1 0 337.419 3.789 20 0 EHADRM CC(C)Cc1ccccc1C(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001591488939 992618078 /nfs/dbraw/zinc/61/80/78/992618078.db2.gz KRVFJNCCNBVAMU-UHFFFAOYSA-N -1 0 337.419 3.782 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)[O-])c1 ZINC001591489823 992622346 /nfs/dbraw/zinc/62/23/46/992622346.db2.gz YRWRPZSOUSRBOG-RVKKMQEKSA-N -1 0 331.456 3.700 20 0 EHADRM CN(Cc1ccc2ccccc2c1)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001598524705 992705200 /nfs/dbraw/zinc/70/52/00/992705200.db2.gz QTTWTZYYRVMAHM-UHFFFAOYSA-N -1 0 335.363 3.597 20 0 EHADRM CN(Cc1cccc(OC(C)(C)C)n1)[C@H](C(=O)[O-])c1ccccc1 ZINC001598527475 992737611 /nfs/dbraw/zinc/73/76/11/992737611.db2.gz YXOVVDNQLUJTGU-KRWDZBQOSA-N -1 0 328.412 3.517 20 0 EHADRM CN(Cc1ccccc1)C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001598527619 992739933 /nfs/dbraw/zinc/73/99/33/992739933.db2.gz WVYYCMBCTOFVOD-UHFFFAOYSA-N -1 0 344.436 3.917 20 0 EHADRM CC(C)NC(=O)c1ccc(NCc2cccc(C(=O)[O-])c2Cl)cc1 ZINC001591657029 992985951 /nfs/dbraw/zinc/98/59/51/992985951.db2.gz BBHINYACUCPXJO-UHFFFAOYSA-N -1 0 346.814 3.789 20 0 EHADRM CC(C)[C@H]1CCCCCN1C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001593062471 993576808 /nfs/dbraw/zinc/57/68/08/993576808.db2.gz IXPGWVXCOTZIJG-NWDGAFQWSA-N -1 0 339.461 3.513 20 0 EHADRM COc1ccc(N(C#N)Cc2cc(C(=O)[O-])ccc2F)cc1Cl ZINC001599583176 993578036 /nfs/dbraw/zinc/57/80/36/993578036.db2.gz OTSGNZKXCKKVFL-UHFFFAOYSA-N -1 0 334.734 3.674 20 0 EHADRM C[C@@H](NC(=O)NCCCCCCC(=O)[O-])c1ccc2ncsc2c1 ZINC001593094070 993712275 /nfs/dbraw/zinc/71/22/75/993712275.db2.gz GHKBHYANTVEVJX-GFCCVEGCSA-N -1 0 349.456 3.692 20 0 EHADRM COc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)c(C(=O)[O-])c1 ZINC001599593335 993716734 /nfs/dbraw/zinc/71/67/34/993716734.db2.gz JNNJWDAZDQOKHO-UONOGXRCSA-N -1 0 345.782 3.789 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])s1)C1CCC(F)(F)CC1 ZINC001593117820 993819740 /nfs/dbraw/zinc/81/97/40/993819740.db2.gz WKAJCJZAZFLEAC-MRVPVSSYSA-N -1 0 332.372 3.782 20 0 EHADRM COc1ccc(OC)c(NC(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c1 ZINC001599604097 993858700 /nfs/dbraw/zinc/85/87/00/993858700.db2.gz CZZATAPEVVSOIT-LLVKDONJSA-N -1 0 344.367 3.536 20 0 EHADRM C[C@@H](NC(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1)C1CCCCC1 ZINC001593125419 993863618 /nfs/dbraw/zinc/86/36/18/993863618.db2.gz YOIKRFVUVSPYSX-SNVBAGLBSA-N -1 0 339.461 3.596 20 0 EHADRM C[C@@H](NC(=O)OCC1CCCCC1)c1ccc(OCC(=O)[O-])cc1 ZINC001593135956 993904442 /nfs/dbraw/zinc/90/44/42/993904442.db2.gz WHSAIUYNFRSMSN-CYBMUJFWSA-N -1 0 335.400 3.518 20 0 EHADRM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)c1cscn1 ZINC001593190499 994121886 /nfs/dbraw/zinc/12/18/86/994121886.db2.gz PDRDYPHUEPGXLA-PRHODGIISA-N -1 0 330.331 3.638 20 0 EHADRM C[C@@H](N[C@@H](C)c1ccc(C(=O)[O-])o1)c1nc(-c2cccc(F)c2)no1 ZINC001593203036 994184518 /nfs/dbraw/zinc/18/45/18/994184518.db2.gz CDKMCQRHWZNUDG-VHSXEESVSA-N -1 0 345.330 3.579 20 0 EHADRM C[C@@H](N[C@H](C)c1nccn1-c1ccccc1)c1cc(C(=O)[O-])co1 ZINC001593204883 994208313 /nfs/dbraw/zinc/20/83/13/994208313.db2.gz WSZQDJHFYBENDN-CHWSQXEVSA-N -1 0 325.368 3.575 20 0 EHADRM COc1ccc2cc(C(=O)O[C@@H](C(=O)[O-])c3ccccc3)ccc2c1 ZINC001599634441 994265836 /nfs/dbraw/zinc/26/58/36/994265836.db2.gz CQVLPURBCSLWKL-GOSISDBHSA-N -1 0 336.343 3.831 20 0 EHADRM C[C@H](CNC(=O)c1cc(F)c(F)c([O-])c1F)Sc1ccccc1 ZINC000180084017 1015850549 /nfs/dbraw/zinc/85/05/49/1015850549.db2.gz WABYYXKGHKTCQD-SECBINFHSA-N -1 0 341.354 3.720 20 0 EHADRM COc1ccc2occ(C(=O)O[C@@H](C(=O)[O-])c3ccc(F)cc3)c2c1 ZINC001599637266 994306885 /nfs/dbraw/zinc/30/68/85/994306885.db2.gz DPJBPROVDOCWHA-MRXNPFEDSA-N -1 0 344.294 3.563 20 0 EHADRM COc1ccc2oc([C@@H](C)NCc3ncc(C(=O)[O-])s3)c(C)c2c1 ZINC001599638051 994318163 /nfs/dbraw/zinc/31/81/63/994318163.db2.gz UHXQQXPPHQTYMS-SNVBAGLBSA-N -1 0 346.408 3.755 20 0 EHADRM COc1cccc(-c2nnc(S[C@@H](C)c3ccc(C(=O)[O-])o3)o2)c1 ZINC001599639163 994332355 /nfs/dbraw/zinc/33/23/55/994332355.db2.gz LUQMSFZUSLXVIL-VIFPVBQESA-N -1 0 346.364 3.890 20 0 EHADRM COc1cccc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1OC(C)C ZINC001599642689 994380706 /nfs/dbraw/zinc/38/07/06/994380706.db2.gz LDVIGOVZVPIDRG-UHFFFAOYSA-N -1 0 347.342 3.572 20 0 EHADRM COc1cccc(C(=O)Nc2ncc(C(=O)[O-])c3ccccc23)c1C ZINC001599642848 994383253 /nfs/dbraw/zinc/38/32/53/994383253.db2.gz YGTYXMBUOKCXDM-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)C1(c2ccc(C)cc2)CCC1 ZINC001599643899 994396198 /nfs/dbraw/zinc/39/61/98/994396198.db2.gz HXIJIZNIIJFEEA-UHFFFAOYSA-N -1 0 340.375 3.729 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)CCCc1ccccc1Cl ZINC001599643942 994397708 /nfs/dbraw/zinc/39/77/08/994397708.db2.gz KCMOCGIGYLQQGH-UHFFFAOYSA-N -1 0 348.782 3.975 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)Cc1ccc(C)c(Cl)c1 ZINC001599644623 994408020 /nfs/dbraw/zinc/40/80/20/994408020.db2.gz PWDGTGSKUPTPPC-UHFFFAOYSA-N -1 0 334.755 3.503 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)CCCc1ccc(C)s1 ZINC001599645759 994422792 /nfs/dbraw/zinc/42/27/92/994422792.db2.gz MIVGGUSTQKQNAV-UHFFFAOYSA-N -1 0 347.436 3.749 20 0 EHADRM COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)CC2CCCCCC2)c1 ZINC001599648584 994461504 /nfs/dbraw/zinc/46/15/04/994461504.db2.gz ZLEBSBJPWUGSRN-SFHVURJKSA-N -1 0 333.428 3.640 20 0 EHADRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)Nc2cccc(C)c2)c1 ZINC001599654444 994556395 /nfs/dbraw/zinc/55/63/95/994556395.db2.gz ZEIQHKIOISVVLQ-IBGZPJMESA-N -1 0 342.395 3.515 20 0 EHADRM COc1cccc([C@@H](C)CCCC(=O)N[C@H](CC(C)(C)C)C(=O)[O-])c1 ZINC001599655370 994570310 /nfs/dbraw/zinc/57/03/10/994570310.db2.gz ONDLGIHHVPEPLI-WMLDXEAASA-N -1 0 349.471 3.975 20 0 EHADRM C[C@H](NCc1cc(C(=O)[O-])co1)c1ccc(C(F)(F)F)nc1Cl ZINC001593289101 994662401 /nfs/dbraw/zinc/66/24/01/994662401.db2.gz PNPYZUIWVRDKCK-ZETCQYMHSA-N -1 0 348.708 3.896 20 0 EHADRM COc1cccc([C@H](OC(=O)c2ccc(C(=O)[O-])nc2)C(C)(C)C)c1 ZINC001599662565 994677990 /nfs/dbraw/zinc/67/79/90/994677990.db2.gz NKYMOIRZCNYBFR-INIZCTEOSA-N -1 0 343.379 3.733 20 0 EHADRM COc1cccc(/C=C\c2nc(Cl)c(C(=O)[O-])s2)c1OC ZINC001599663859 994698047 /nfs/dbraw/zinc/69/80/47/994698047.db2.gz HBQCXBQTEJWHKE-SREVYHEPSA-N -1 0 325.773 3.682 20 0 EHADRM C[C@@H](NCc1cccc(C(=O)[O-])n1)c1cccc(Cl)c1Cl ZINC001593304314 994744448 /nfs/dbraw/zinc/74/44/48/994744448.db2.gz LMBPYNSLYAEMRX-SECBINFHSA-N -1 0 325.195 3.937 20 0 EHADRM COc1cccc(C[C@H](C)CC(=O)Nc2ccsc2C(=O)[O-])c1 ZINC001599666941 994745304 /nfs/dbraw/zinc/74/53/04/994745304.db2.gz VGDWETACMYUTCW-NSHDSACASA-N -1 0 333.409 3.662 20 0 EHADRM COc1cccc(CCCOc2cc(/C=C\C(=O)[O-])ccc2OC)c1 ZINC001599671689 994823645 /nfs/dbraw/zinc/82/36/45/994823645.db2.gz HOIZYKNQMPTDLL-LUAWRHEFSA-N -1 0 342.391 3.813 20 0 EHADRM COc1cccc(F)c1C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001599677982 994930009 /nfs/dbraw/zinc/93/00/09/994930009.db2.gz XQZWYKXVNBANNN-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM CO/C(=C/c1ccccc1)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC001598684331 994983856 /nfs/dbraw/zinc/98/38/56/994983856.db2.gz JFNAXWSATGSWIC-VLURKWGBSA-N -1 0 325.364 3.501 20 0 EHADRM C[C@@H](N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccc(C(F)(F)F)nc1 ZINC001593354826 994996331 /nfs/dbraw/zinc/99/63/31/994996331.db2.gz YIXQCOXPLOKSMX-SFYZADRCSA-N -1 0 345.346 3.667 20 0 EHADRM C[C@@H](Nc1ccc(OC(F)F)cc1F)c1ncc(C(=O)[O-])s1 ZINC001593363033 995035590 /nfs/dbraw/zinc/03/55/90/995035590.db2.gz MXFISSZFHKXEEL-ZCFIWIBFSA-N -1 0 332.303 3.755 20 0 EHADRM CC(C)c1ccc(N[C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC001593363505 995036622 /nfs/dbraw/zinc/03/66/22/995036622.db2.gz RILGIHDSMYUEHK-AWEZNQCLSA-N -1 0 340.423 3.625 20 0 EHADRM C[C@H](Nc1cccc(CN(C)C(=O)OC(C)(C)C)c1)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001593365568 995041479 /nfs/dbraw/zinc/04/14/79/995041479.db2.gz BINUUKCINCXIHW-RCBQFDQVSA-N -1 0 348.443 3.575 20 0 EHADRM C[C@H](Nc1ccccc1COCc1ccccc1)[C@H]1C[C@H]1C(=O)[O-] ZINC001593367704 995059910 /nfs/dbraw/zinc/05/99/10/995059910.db2.gz QPIGUHSEUVNRKO-BMGDILEWSA-N -1 0 325.408 3.925 20 0 EHADRM C[C@H](Nc1ncc(C(=O)[O-])cn1)[C@@H](C)c1ccccc1C(F)(F)F ZINC001593374671 995075069 /nfs/dbraw/zinc/07/50/69/995075069.db2.gz UYQXZUHNEJIXFQ-ZJUUUORDSA-N -1 0 339.317 3.798 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2)c(F)c1 ZINC000109423330 1015932942 /nfs/dbraw/zinc/93/29/42/1015932942.db2.gz LTJXFADUMCAIQE-UHFFFAOYSA-N -1 0 334.416 3.535 20 0 EHADRM COC(=O)[C@H](Nc1ccc2ccccc2c1)c1cccc(C(=O)[O-])c1 ZINC001598714400 995387623 /nfs/dbraw/zinc/38/76/23/995387623.db2.gz SILLALZWGWBRTF-GOSISDBHSA-N -1 0 335.359 3.864 20 0 EHADRM C[C@@H](OC(=O)C1CC(OCc2ccccc2)C1)c1cc(C(=O)[O-])co1 ZINC001593500121 995497353 /nfs/dbraw/zinc/49/73/53/995497353.db2.gz NLWYOFHPTUDRBD-XEBKBJJBSA-N -1 0 344.363 3.577 20 0 EHADRM C[C@H](OC(=O)CCOc1ccc(Cl)cc1)c1ccc(C(=O)[O-])o1 ZINC001593526462 995568261 /nfs/dbraw/zinc/56/82/61/995568261.db2.gz YHWMBAYDIDSHMO-JTQLQIEISA-N -1 0 338.743 3.705 20 0 EHADRM C[C@H](OC(=O)CCc1ccc2ccccc2c1)c1nc(C(=O)[O-])co1 ZINC001593527316 995570870 /nfs/dbraw/zinc/57/08/70/995570870.db2.gz FQQWEAVZAJJISK-LBPRGKRZSA-N -1 0 339.347 3.763 20 0 EHADRM C[C@@H](OC(=O)[C@@H]1CSC[C@H]1c1ccccc1)c1cc(C(=O)[O-])co1 ZINC001593547399 995624168 /nfs/dbraw/zinc/62/41/68/995624168.db2.gz NJRCQENMFLOOMN-BYCMXARLSA-N -1 0 346.404 3.729 20 0 EHADRM C[C@H](OC(=O)c1ccc(C(=O)[O-])cc1F)c1nc(C2CC2)cs1 ZINC001593574779 995680254 /nfs/dbraw/zinc/68/02/54/995680254.db2.gz MHALWMPPBHYGNY-QMMMGPOBSA-N -1 0 335.356 3.776 20 0 EHADRM C[C@H](OC(=O)c1cccc(C(F)F)c1F)c1ccc(C(=O)[O-])o1 ZINC001593586463 995709729 /nfs/dbraw/zinc/70/97/29/995709729.db2.gz WQLNNOUOOHAPIA-ZETCQYMHSA-N -1 0 328.242 3.973 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC001593602612 995764391 /nfs/dbraw/zinc/76/43/91/995764391.db2.gz IKNKUCDUMFZQPZ-YOEHRIQHSA-N -1 0 339.476 3.654 20 0 EHADRM C[C@@H](OCCc1ccccc1)c1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC001593608463 995796049 /nfs/dbraw/zinc/79/60/49/995796049.db2.gz WLJXCJIYXXCYMW-CYBMUJFWSA-N -1 0 338.363 3.755 20 0 EHADRM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)C1(C(=O)[O-])CCCC1 ZINC001593612059 995813137 /nfs/dbraw/zinc/81/31/37/995813137.db2.gz JWPFRLORTRETOL-AWEZNQCLSA-N -1 0 347.455 3.607 20 0 EHADRM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-] ZINC001593612174 995813878 /nfs/dbraw/zinc/81/38/78/995813878.db2.gz LWJCAUWABODVHH-CJNGLKHVSA-N -1 0 349.471 3.757 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)c2cccc(Cl)c2)cc1F)C(=O)[O-] ZINC001593633506 995923189 /nfs/dbraw/zinc/92/31/89/995923189.db2.gz GYNAYWJENNHJAZ-VIFPVBQESA-N -1 0 337.734 3.583 20 0 EHADRM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-] ZINC001593634971 995929849 /nfs/dbraw/zinc/92/98/49/995929849.db2.gz IQPZMRPUABETAR-CJNGLKHVSA-N -1 0 349.471 3.757 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)C(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])c1 ZINC001593636049 995936168 /nfs/dbraw/zinc/93/61/68/995936168.db2.gz IRURNKJXTBMFHF-GZRFBZBPSA-N -1 0 347.455 3.727 20 0 EHADRM C[C@H](Oc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C ZINC001593640276 995944415 /nfs/dbraw/zinc/94/44/15/995944415.db2.gz BPBXZGGBRPXLPW-GUYCJALGSA-N -1 0 343.423 3.613 20 0 EHADRM C[C@H](Oc1ccccc1)C(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001593641378 995951765 /nfs/dbraw/zinc/95/17/65/995951765.db2.gz ICDUTIGSHSGDGT-UGSOOPFHSA-N -1 0 340.375 3.773 20 0 EHADRM C[C@H](Oc1ccccc1CNc1ccc(Cl)c(N(C)C)c1)C(=O)[O-] ZINC001593650578 996007534 /nfs/dbraw/zinc/00/75/34/996007534.db2.gz FQCXJCGIPYSICE-LBPRGKRZSA-N -1 0 348.830 3.870 20 0 EHADRM C[C@@H](Oc1ccccc1NCc1ccc(C(=O)[O-])o1)C(F)(F)F ZINC001593651122 996010461 /nfs/dbraw/zinc/01/04/61/996010461.db2.gz IGGVERQRCMSFHU-SECBINFHSA-N -1 0 329.274 3.920 20 0 EHADRM C[C@H](Oc1ccccc1NCc1ccc(C(=O)[O-])o1)C(F)(F)F ZINC001593651124 996010708 /nfs/dbraw/zinc/01/07/08/996010708.db2.gz IGGVERQRCMSFHU-VIFPVBQESA-N -1 0 329.274 3.920 20 0 EHADRM C[C@@H](SCC(=O)NC1(C(=O)[O-])CCCCC1)c1cccc(F)c1 ZINC001593658480 996031903 /nfs/dbraw/zinc/03/19/03/996031903.db2.gz HHXQHMACETZANR-GFCCVEGCSA-N -1 0 339.432 3.524 20 0 EHADRM C[C@@H](SCc1nnc(-c2ccc(Cl)cc2Cl)o1)C(=O)[O-] ZINC001593663931 996047476 /nfs/dbraw/zinc/04/74/76/996047476.db2.gz CMFTWUYKTKLZJY-ZCFIWIBFSA-N -1 0 333.196 3.750 20 0 EHADRM C[C@@H](Sc1ccc(C(=O)[O-])cc1)C(=O)N1c2ccccc2C[C@H]1C ZINC001593664412 996051230 /nfs/dbraw/zinc/05/12/30/996051230.db2.gz RSHPBCLXMYDIGV-CHWSQXEVSA-N -1 0 341.432 3.843 20 0 EHADRM CC(C)c1coc(NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])n1 ZINC001593672246 996074759 /nfs/dbraw/zinc/07/47/59/996074759.db2.gz NBFSAEOTRNXAAE-SNVBAGLBSA-N -1 0 334.397 3.616 20 0 EHADRM C[C@@H](c1c(F)cccc1F)N(C)CCOc1cccc(C(=O)[O-])c1 ZINC001593687883 996128891 /nfs/dbraw/zinc/12/88/91/996128891.db2.gz UZMPKQBTWFNAGA-LBPRGKRZSA-N -1 0 335.350 3.735 20 0 EHADRM C[C@H](c1ccc(F)c(F)c1)N(C)Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001593693527 996145152 /nfs/dbraw/zinc/14/51/52/996145152.db2.gz NGWCFRGXNCYJBT-SNVBAGLBSA-N -1 0 345.349 3.732 20 0 EHADRM C[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2[nH]nc(C(=O)[O-])c2C1 ZINC001593694496 996150796 /nfs/dbraw/zinc/15/07/96/996150796.db2.gz XCSVUEQQGKJWEN-MRVPVSSYSA-N -1 0 340.210 3.534 20 0 EHADRM C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001593704600 996183987 /nfs/dbraw/zinc/18/39/87/996183987.db2.gz BRSMBXHDULJIPI-PEJNVLESSA-N -1 0 339.391 3.786 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NCC1CCC(c2ccccc2)CC1 ZINC000683302557 1016015800 /nfs/dbraw/zinc/01/58/00/1016015800.db2.gz DNEHHJKWHBIVSK-UHFFFAOYSA-N -1 0 331.456 3.968 20 0 EHADRM C[C@@H](c1nc(C(=O)[O-])co1)N(C)Cc1cccc(Cl)c1Cl ZINC001593725520 996279181 /nfs/dbraw/zinc/27/91/81/996279181.db2.gz RDPZJWYFTAEHOP-QMMMGPOBSA-N -1 0 329.183 3.873 20 0 EHADRM C[C@@H](c1nc2ccccc2s1)N(C)Cc1ccc(C(=O)[O-])n1C ZINC001593734417 996324292 /nfs/dbraw/zinc/32/42/92/996324292.db2.gz UYOVLVDJKTVCEJ-NSHDSACASA-N -1 0 329.425 3.526 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)c2ccsc2)c(F)c1 ZINC000080667922 1016024037 /nfs/dbraw/zinc/02/40/37/1016024037.db2.gz KOHLCNHCVYYMBL-SNVBAGLBSA-N -1 0 327.402 3.645 20 0 EHADRM C[C@@H](c1noc(C23CCC(C(=O)[O-])(CC2)C3)n1)c1c(F)cccc1F ZINC001593740565 996357608 /nfs/dbraw/zinc/35/76/08/996357608.db2.gz SCNARPPZYOMYFX-BXUAKQIJSA-N -1 0 348.349 3.786 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)N2CCC[C@@](C)(C(=O)[O-])C2)c2ccccc21 ZINC001593767776 996450853 /nfs/dbraw/zinc/45/08/53/996450853.db2.gz GNYHYMDBAQYFKW-OXQOHEQNSA-N -1 0 344.455 3.695 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)NC(C2CCCC2)C2CCCC2)C1 ZINC001593767814 996451455 /nfs/dbraw/zinc/45/14/55/996451455.db2.gz HFJWKEVNHBJZJD-LJQANCHMSA-N -1 0 336.476 3.632 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(c2nc3ccccc3c(-c3ccccc3)n2)C1 ZINC001593778403 996487051 /nfs/dbraw/zinc/48/70/51/996487051.db2.gz JDUVPRDGPJDNIL-OAQYLSRUSA-N -1 0 347.418 3.988 20 0 EHADRM COC(=O)C[C@H](C)S[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001598838940 996508757 /nfs/dbraw/zinc/50/87/57/996508757.db2.gz OAZFTEUYHZSLRJ-UFBFGSQYSA-N -1 0 336.331 3.516 20 0 EHADRM Cc1ccccc1CS(=O)(=O)[N-]c1cc(-c2ccccc2)on1 ZINC000180815724 1016042850 /nfs/dbraw/zinc/04/28/50/1016042850.db2.gz WFFJLGWNUCHBKS-UHFFFAOYSA-N -1 0 328.393 3.592 20 0 EHADRM COC(=O)CC1CCC(Nc2cc(C(=O)[O-])ccc2OC(C)C)CC1 ZINC001598847851 996579877 /nfs/dbraw/zinc/57/98/77/996579877.db2.gz QQZBWLKYJXWWFL-UHFFFAOYSA-N -1 0 349.427 3.706 20 0 EHADRM CC1(C)C[C@H](C(=O)Oc2ccccc2CC(=O)[O-])c2ccccc2O1 ZINC001593848018 996617560 /nfs/dbraw/zinc/61/75/60/996617560.db2.gz DYOIFFFIPRJKTD-HNNXBMFYSA-N -1 0 340.375 3.564 20 0 EHADRM CC1(C)CC(C)(C)c2cc(NC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)ccc21 ZINC001593849270 996624237 /nfs/dbraw/zinc/62/42/37/996624237.db2.gz LOBVFAYWVWHRLZ-BJHJDKERSA-N -1 0 330.428 3.630 20 0 EHADRM CC1(C)C[C@]1(NC(=O)c1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC001593868680 996675911 /nfs/dbraw/zinc/67/59/11/996675911.db2.gz PKRDPMVXNSQACV-IBGZPJMESA-N -1 0 327.355 3.579 20 0 EHADRM CC1(C)CC[C@H](C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[C@@H](c2ccccc2)C1 ZINC001593874858 996692355 /nfs/dbraw/zinc/69/23/55/996692355.db2.gz QGNJOSLBDHGZHO-VSZNYVQBSA-N -1 0 343.467 3.966 20 0 EHADRM CC1(C)CC[C@H](C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)C1 ZINC001593875120 996693388 /nfs/dbraw/zinc/69/33/88/996693388.db2.gz XVXNZQMLBIKQAF-VIFPVBQESA-N -1 0 340.217 3.912 20 0 EHADRM C[C@@H](c1ccccc1Br)N(C)C(=O)CCCCC(=O)[O-] ZINC000655544563 1016060854 /nfs/dbraw/zinc/06/08/54/1016060854.db2.gz QITCVFTXDAGXJV-NSHDSACASA-N -1 0 342.233 3.614 20 0 EHADRM CC1(C)Cc2ccc(C(=O)N[C@]3(C(=O)[O-])CCCC(C)(C)C3)cc2O1 ZINC001593892042 996739566 /nfs/dbraw/zinc/73/95/66/996739566.db2.gz JIQDTEORZRLJKA-HXUWFJFHSA-N -1 0 345.439 3.554 20 0 EHADRM CC1(C)CCC[C@H]1[C@@H]1CCN(C(=O)c2cc(F)cc(C(=O)[O-])c2)C1 ZINC001593897230 996757415 /nfs/dbraw/zinc/75/74/15/996757415.db2.gz KQYHLFBEXJZLQT-WBMJQRKESA-N -1 0 333.403 3.812 20 0 EHADRM CC1(C)CCC[C@@H]1[C@H]1CCN(C(=O)Nc2ccc(CC(=O)[O-])cc2)C1 ZINC001593898714 996761871 /nfs/dbraw/zinc/76/18/71/996761871.db2.gz WMDLNYUVSKAJFL-DOTOQJQBSA-N -1 0 344.455 3.994 20 0 EHADRM CC1(C)CCC[C@@H]1N(Cc1ccccc1)C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001593903108 996769970 /nfs/dbraw/zinc/76/99/70/996769970.db2.gz JFJTUPKZZJBDLY-BBWFWOEESA-N -1 0 329.440 3.705 20 0 EHADRM CCCc1nc(=NC(=O)[C@H](C)c2ccc(Cl)c(Cl)c2)s[n-]1 ZINC000466899692 1016062992 /nfs/dbraw/zinc/06/29/92/1016062992.db2.gz LQKIPKSNINWMPR-MRVPVSSYSA-N -1 0 344.267 3.962 20 0 EHADRM CC1(C)CCCC[C@H]1CC(=O)N1CCOc2ccccc2[C@@H]1C(=O)[O-] ZINC001593905362 996786743 /nfs/dbraw/zinc/78/67/43/996786743.db2.gz SAKWXXBLKHPTHT-KBXCAEBGSA-N -1 0 345.439 3.640 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)CC[C@@H]1CCc2ccccc21 ZINC001599379080 996802324 /nfs/dbraw/zinc/80/23/24/996802324.db2.gz TWIZLLVPGNUOKS-AWEZNQCLSA-N -1 0 340.375 3.809 20 0 EHADRM COCc1c2ccccc2oc1C(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001599278301 996848614 /nfs/dbraw/zinc/84/86/14/996848614.db2.gz LIRBEMZDPNHCKF-UHFFFAOYSA-N -1 0 339.347 3.838 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cc(C(C)(C)C)oc2C)c1 ZINC001599489003 996905196 /nfs/dbraw/zinc/90/51/96/996905196.db2.gz AYJHFVYDEVHAJN-UHFFFAOYSA-N -1 0 331.368 3.845 20 0 EHADRM CC1(C)CN(C(=O)c2cc(C(=O)[O-])ccc2Cl)[C@@H]1c1cccnc1 ZINC001593936643 996920182 /nfs/dbraw/zinc/92/01/82/996920182.db2.gz PIXLWYKIWFQZRI-OAHLLOKOSA-N -1 0 344.798 3.657 20 0 EHADRM COCc1cc(NC(=O)N2CC[C@H](C)C3(CCC3)C2)cc(C(=O)[O-])c1 ZINC001599284593 996952914 /nfs/dbraw/zinc/95/29/14/996952914.db2.gz FLPHUGZCJUPACE-ZDUSSCGKSA-N -1 0 346.427 3.575 20 0 EHADRM COc1cc(C(=O)O[C@H]2CCCc3cc(C(=O)[O-])ccc32)ccc1C ZINC001599386641 996957311 /nfs/dbraw/zinc/95/73/11/996957311.db2.gz ZWDZQADRSARZDM-KRWDZBQOSA-N -1 0 340.375 3.936 20 0 EHADRM CC1(C)CN([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC(C)(C)O1 ZINC001593941185 996959736 /nfs/dbraw/zinc/95/97/36/996959736.db2.gz ZAEAXZJQUFBULN-CYBMUJFWSA-N -1 0 345.361 3.721 20 0 EHADRM COCc1cc(NC(=O)N2CCCC[C@H]2CC(C)C)cc(C(=O)[O-])c1 ZINC001599285489 996969300 /nfs/dbraw/zinc/96/93/00/996969300.db2.gz PBUKSGQAVFTPAS-KRWDZBQOSA-N -1 0 348.443 3.964 20 0 EHADRM COCc1cc(NC(=O)N2CCC[C@@H]2C2CCCC2)cc(C(=O)[O-])c1 ZINC001599285471 996969898 /nfs/dbraw/zinc/96/98/98/996969898.db2.gz OVSFZQYERHTAJL-QGZVFWFLSA-N -1 0 346.427 3.718 20 0 EHADRM CC1(C)CN(Cc2ccccc2OCC(=O)[O-])[C@H]1c1cccs1 ZINC001593944837 996983493 /nfs/dbraw/zinc/98/34/93/996983493.db2.gz IOPKOVQBPRNZAD-KRWDZBQOSA-N -1 0 331.437 3.795 20 0 EHADRM COCc1cc(N[C@H](C(=O)[O-])c2cccc(Cl)c2)ccc1OC ZINC001599288506 997023361 /nfs/dbraw/zinc/02/33/61/997023361.db2.gz XWRZYPDVLLRBHI-INIZCTEOSA-N -1 0 335.787 3.733 20 0 EHADRM COc1ccc(C(=O)[O-])cc1CN1CCc2cccc(F)c2[C@@H]1C ZINC001599499791 997094709 /nfs/dbraw/zinc/09/47/09/997094709.db2.gz BTFCULVSODEKOX-LBPRGKRZSA-N -1 0 329.371 3.652 20 0 EHADRM COCc1ccc(N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@H]23)cc1C(F)(F)F ZINC001599294621 997118017 /nfs/dbraw/zinc/11/80/17/997118017.db2.gz GNZFTUIKIYREFC-YODMDTAWSA-N -1 0 343.345 3.763 20 0 EHADRM COc1ccc(C(=O)[O-])c2c1CN(Cc1ccc(C)c(Cl)c1)CC2 ZINC001599500953 997118335 /nfs/dbraw/zinc/11/83/35/997118335.db2.gz FKVZDFQEDUPKFB-UHFFFAOYSA-N -1 0 345.826 3.914 20 0 EHADRM COCc1ccc(NCc2cc(C(=O)[O-])c(C)[nH]2)cc1C(F)(F)F ZINC001599294989 997124653 /nfs/dbraw/zinc/12/46/53/997124653.db2.gz VUSGVYKFGRMKRL-UHFFFAOYSA-N -1 0 342.317 3.799 20 0 EHADRM COc1ccc(C(=O)[O-])cc1CN[C@H](c1ccccc1)c1ccccn1 ZINC001599501321 997126124 /nfs/dbraw/zinc/12/61/24/997126124.db2.gz SCDIAYHSXUXMLI-HXUWFJFHSA-N -1 0 348.402 3.668 20 0 EHADRM COCc1ccc(S[C@H](C(=O)[O-])c2cc(OC)cc(OC)c2)cc1 ZINC001599295300 997130233 /nfs/dbraw/zinc/13/02/33/997130233.db2.gz UOZGBOPFFCOEEL-KRWDZBQOSA-N -1 0 348.420 3.768 20 0 EHADRM COCc1ccccc1NC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC001599296510 997153857 /nfs/dbraw/zinc/15/38/57/997153857.db2.gz URHYXFFVGBVVCW-GFCCVEGCSA-N -1 0 328.368 3.665 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1sccc1Cl ZINC001599398298 997168781 /nfs/dbraw/zinc/16/87/81/997168781.db2.gz IVZXDYFCWXRFIU-HYXAFXHYSA-N -1 0 338.768 3.727 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)/C=C(/C)c1cccs1 ZINC001599398350 997169943 /nfs/dbraw/zinc/16/99/43/997169943.db2.gz ZKAFXSDARZNBQP-FDAFXCBZSA-N -1 0 344.388 3.863 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)C12CCC(CC1)CC2 ZINC001599398488 997172039 /nfs/dbraw/zinc/17/20/39/997172039.db2.gz HJNBSHDEHJSADU-HYXAFXHYSA-N -1 0 330.380 3.669 20 0 EHADRM CC1(C)OCc2cc(CNc3cccc(CC(=O)[O-])c3)ccc2O1 ZINC001593980541 997190950 /nfs/dbraw/zinc/19/09/50/997190950.db2.gz KLVDHWAXDHBFMF-UHFFFAOYSA-N -1 0 327.380 3.571 20 0 EHADRM C[C@@]1(CC(=O)Nc2cc(F)cc(C(=O)[O-])c2F)CC1(Cl)Cl ZINC001593998513 997328603 /nfs/dbraw/zinc/32/86/03/997328603.db2.gz QVTRYDZFQVGDFD-GFCCVEGCSA-N -1 0 338.137 3.576 20 0 EHADRM COc1ccc([C@H](NC(=O)CC(C2CCC2)C2CCC2)C(=O)[O-])cc1 ZINC001599518444 997434141 /nfs/dbraw/zinc/43/41/41/997434141.db2.gz HJRWXLRKCMCLCO-IBGZPJMESA-N -1 0 345.439 3.544 20 0 EHADRM CO[C@@H]1CCC[C@@H](C(=O)O[C@H]2CCCc3cc(C(=O)[O-])ccc32)C1 ZINC001599104204 997444885 /nfs/dbraw/zinc/44/48/85/997444885.db2.gz TUXXWUZGXUWJKA-INMHGKMJSA-N -1 0 332.396 3.511 20 0 EHADRM COc1cc(COc2cnc(Cl)cc2C(=O)[O-])ccc1SC ZINC001599417437 997535243 /nfs/dbraw/zinc/53/52/43/997535243.db2.gz YWBSTWVBKOWGNY-UHFFFAOYSA-N -1 0 339.800 3.743 20 0 EHADRM CON(Cc1ccccc1)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001599319109 997549485 /nfs/dbraw/zinc/54/94/85/997549485.db2.gz QVNNOTLZWUODER-AWEZNQCLSA-N -1 0 342.395 3.545 20 0 EHADRM COc1cc(CNc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c(Cl)cc1O ZINC001599418847 997558977 /nfs/dbraw/zinc/55/89/77/997558977.db2.gz SXKJSBHYHITWSB-UONOGXRCSA-N -1 0 347.798 3.854 20 0 EHADRM COc1cc(Cl)c(Cl)cc1C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-] ZINC001599418960 997561150 /nfs/dbraw/zinc/56/11/50/997561150.db2.gz RPNLWVZIFDTIFU-NSHDSACASA-N -1 0 348.226 3.621 20 0 EHADRM COc1cc(Cl)c(NC(=O)c2ccc(C(=O)[O-])cc2F)cc1C ZINC001599419881 997575327 /nfs/dbraw/zinc/57/53/27/997575327.db2.gz PWYVAVLVBJOMNF-UHFFFAOYSA-N -1 0 337.734 3.747 20 0 EHADRM COCC[C@H](Nc1nc(Cl)c(C(=O)[O-])s1)c1ccc(C)o1 ZINC001599216601 997591905 /nfs/dbraw/zinc/59/19/05/997591905.db2.gz CBXWUNLKLASCKC-QMMMGPOBSA-N -1 0 330.793 3.586 20 0 EHADRM COc1cc(Cl)ccc1-c1nnc(-c2ccc(C(=O)[O-])s2)o1 ZINC001599420997 997594569 /nfs/dbraw/zinc/59/45/69/997594569.db2.gz VTYNKUPXCBBAIO-UHFFFAOYSA-N -1 0 336.756 3.825 20 0 EHADRM CO[C@H]1CCC[C@H](CC(=O)Oc2cc(Cl)ccc2C(=O)[O-])C1 ZINC001599114135 997622461 /nfs/dbraw/zinc/62/24/61/997622461.db2.gz XFSWBWTZAIBTEK-JQWIXIFHSA-N -1 0 326.776 3.539 20 0 EHADRM CO[C@@H]1CCC[C@H](CC(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC001599114157 997623530 /nfs/dbraw/zinc/62/35/30/997623530.db2.gz XILYLQRGJGFBEL-PEYYIBSZSA-N -1 0 340.803 3.604 20 0 EHADRM COc1ccc([C@@H](Nc2cc(CC(=O)[O-])ccn2)C2CCC2)cc1 ZINC001599532081 997673116 /nfs/dbraw/zinc/67/31/16/997673116.db2.gz OBAJPPXCULRPBF-IBGZPJMESA-N -1 0 326.396 3.671 20 0 EHADRM COc1ccc(C)cc1[C@H](C)OC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001599535989 997745369 /nfs/dbraw/zinc/74/53/69/997745369.db2.gz LKCXULOVEMYKAV-PWWFUAJNSA-N -1 0 330.336 3.612 20 0 EHADRM COc1ccc(C2CC2)c(NC(=O)NC2(CC(=O)[O-])CCCCC2)c1 ZINC001599536592 997754976 /nfs/dbraw/zinc/75/49/76/997754976.db2.gz DCLBHWOVAQCDCY-UHFFFAOYSA-N -1 0 346.427 3.872 20 0 EHADRM C[C@@]1(NC(=O)CCCc2ccccc2Cl)CCCC[C@@H]1C(=O)[O-] ZINC001594052373 997756256 /nfs/dbraw/zinc/75/62/56/997756256.db2.gz GNLFLVXIGUFJQH-RDTXWAMCSA-N -1 0 337.847 3.812 20 0 EHADRM COc1cc(NC(=O)/C=C(/C)c2ccc(F)cc2)ccc1C(=O)[O-] ZINC001599431049 997759496 /nfs/dbraw/zinc/75/94/96/997759496.db2.gz BZDPWAKUDUSCIK-LUAWRHEFSA-N -1 0 329.327 3.575 20 0 EHADRM C[C@]1(NC(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)CC=CCC1 ZINC001594052773 997761426 /nfs/dbraw/zinc/76/14/26/997761426.db2.gz MDTSXAYRVBGOCA-HNNXBMFYSA-N -1 0 326.755 3.798 20 0 EHADRM COc1cc(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc2ccccc21 ZINC001599431513 997767934 /nfs/dbraw/zinc/76/79/34/997767934.db2.gz IJCKXOWLTIVJAT-VQHVLOKHSA-N -1 0 337.331 3.792 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)NC1(C)CCCCC1)c1ccccc1 ZINC001594053731 997776886 /nfs/dbraw/zinc/77/68/86/997776886.db2.gz VVQXLDLERSLCBO-OAHLLOKOSA-N -1 0 332.444 3.861 20 0 EHADRM COc1ccc(C2CC2)cc1CNc1nc(Cl)c(C(=O)[O-])s1 ZINC001599538197 997782369 /nfs/dbraw/zinc/78/23/69/997782369.db2.gz APRSYXHPXVIZCI-UHFFFAOYSA-N -1 0 338.816 3.993 20 0 EHADRM COc1cc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c(C)cc1C ZINC001599433230 997796569 /nfs/dbraw/zinc/79/65/69/997796569.db2.gz KLKHUPHPCYIYTL-UHFFFAOYSA-N -1 0 331.412 3.676 20 0 EHADRM COc1cc(NC(=O)[C@@H](C)c2ccc(Cl)s2)ccc1C(=O)[O-] ZINC001599433485 997801711 /nfs/dbraw/zinc/80/17/11/997801711.db2.gz UNKJLQOAEVUQPN-QMMMGPOBSA-N -1 0 339.800 3.851 20 0 EHADRM COc1c(Cl)cccc1CNCc1cc(C(=O)[O-])ccc1Cl ZINC001599334750 997814522 /nfs/dbraw/zinc/81/45/22/997814522.db2.gz ZNIMYXDGBODJFM-UHFFFAOYSA-N -1 0 340.206 3.990 20 0 EHADRM COc1cc(NC(=O)NC[C@@H](C)c2ccc(C)cc2)ccc1C(=O)[O-] ZINC001599437582 997875175 /nfs/dbraw/zinc/87/51/75/997875175.db2.gz GUPXWUXQECZPOW-CYBMUJFWSA-N -1 0 342.395 3.627 20 0 EHADRM COc1c(NC(=O)N(C)[C@@H](C)c2cccs2)cccc1C(=O)[O-] ZINC001599338280 997876263 /nfs/dbraw/zinc/87/62/63/997876263.db2.gz JNFVLDFJTGITEO-JTQLQIEISA-N -1 0 334.397 3.680 20 0 EHADRM COc1c(NC(=O)CSCc2cccc(C)c2)cccc1C(=O)[O-] ZINC001599338490 997880456 /nfs/dbraw/zinc/88/04/56/997880456.db2.gz NCLSBNYLTLHZJU-UHFFFAOYSA-N -1 0 345.420 3.574 20 0 EHADRM COc1cc(NC(=O)N[C@@H](CC(=O)[O-])C2CCCC2)ccc1Cl ZINC001599437985 997881508 /nfs/dbraw/zinc/88/15/08/997881508.db2.gz SWNKLEMRVDHEFR-ZDUSSCGKSA-N -1 0 340.807 3.504 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)[C@@H]1CCCCC1(C)C ZINC001599545303 997912210 /nfs/dbraw/zinc/91/22/10/997912210.db2.gz XSEYQYOOJNHVPZ-GDAGCXPBSA-N -1 0 332.396 3.915 20 0 EHADRM COc1c(NC(=O)N2CCC[C@@H](C(C)C)CC2)cccc1C(=O)[O-] ZINC001599340952 997922276 /nfs/dbraw/zinc/92/22/76/997922276.db2.gz WAUDFMRIWOHASS-CYBMUJFWSA-N -1 0 334.416 3.683 20 0 EHADRM COc1cc(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)ccc1C(=O)[O-] ZINC001599440858 997927107 /nfs/dbraw/zinc/92/71/07/997927107.db2.gz MAPIQOVGRGOMDZ-LSDHHAIUSA-N -1 0 345.782 3.789 20 0 EHADRM COc1c(NC(=O)N2Cc3cccc(Cl)c3C2)cccc1C(=O)[O-] ZINC001599341561 997931425 /nfs/dbraw/zinc/93/14/25/997931425.db2.gz SGACWIJWWZXKND-UHFFFAOYSA-N -1 0 346.770 3.595 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OCc1csc([C@@H](C)OC)n1 ZINC001599546667 997934751 /nfs/dbraw/zinc/93/47/51/997934751.db2.gz OWGOPGGNNQQABS-JPVGGKMYSA-N -1 0 349.408 3.536 20 0 EHADRM COc1cc(NC(=O)c2cccc3c(C)c(C)[nH]c32)ccc1C(=O)[O-] ZINC001599441862 997942825 /nfs/dbraw/zinc/94/28/25/997942825.db2.gz LPHDKRZCPZNYOO-UHFFFAOYSA-N -1 0 338.363 3.744 20 0 EHADRM COc1cc(NCc2ccc(C(=O)[O-])c(F)c2)cc(Cl)c1OC ZINC001599443190 997964952 /nfs/dbraw/zinc/96/49/52/997964952.db2.gz CEHIYWQQDKFDIB-UHFFFAOYSA-N -1 0 339.750 3.807 20 0 EHADRM COc1ccc(C[C@H](C)CN2CCc3cc(C(=O)[O-])ccc32)cc1F ZINC001599549970 997989183 /nfs/dbraw/zinc/98/91/83/997989183.db2.gz GTZXHIDWSARFBM-ZDUSSCGKSA-N -1 0 343.398 3.774 20 0 EHADRM COc1cc(OC(=O)[C@@H](C)Cc2ccccc2Cl)ccc1C(=O)[O-] ZINC001599446058 998011919 /nfs/dbraw/zinc/01/19/19/998011919.db2.gz MOQRJRZALJZCNW-NSHDSACASA-N -1 0 348.782 3.831 20 0 EHADRM COc1cc(OC(=O)[C@H](Cc2ccccc2)C(C)C)ccc1C(=O)[O-] ZINC001599446506 998018448 /nfs/dbraw/zinc/01/84/48/998018448.db2.gz XEUZVXIUBIXDMO-QGZVFWFLSA-N -1 0 342.391 3.814 20 0 EHADRM COc1cc(OC(=O)[C@@]2(c3ccccc3)CC2(C)C)ccc1C(=O)[O-] ZINC001599446571 998019236 /nfs/dbraw/zinc/01/92/36/998019236.db2.gz ZHJFUAJFLHRCJE-FQEVSTJZSA-N -1 0 340.375 3.667 20 0 EHADRM COc1ccc(C[C@H](C)c2nc(-c3ccc(C(=O)[O-])cc3)no2)cc1 ZINC001599552803 998038485 /nfs/dbraw/zinc/03/84/85/998038485.db2.gz NQBASBKONRXARZ-LBPRGKRZSA-N -1 0 338.363 3.790 20 0 EHADRM COc1cc(OC(=O)c2cc(SC)ccc2C)ccc1C(=O)[O-] ZINC001599448460 998049332 /nfs/dbraw/zinc/04/93/32/998049332.db2.gz ZVQAEGKDRNTWKA-UHFFFAOYSA-N -1 0 332.377 3.643 20 0 EHADRM COC(=O)c1cc(NCc2ccc(Cl)cc2F)ccc1C(=O)[O-] ZINC001598948541 998101737 /nfs/dbraw/zinc/10/17/37/998101737.db2.gz WVJXUMAOVOJMJG-UHFFFAOYSA-N -1 0 337.734 3.576 20 0 EHADRM COc1cc(OC)cc([C@H](Sc2ccc(F)c(F)c2)C(=O)[O-])c1 ZINC001599451329 998107307 /nfs/dbraw/zinc/10/73/07/998107307.db2.gz BQQHZBTVBKWPIP-HNNXBMFYSA-N -1 0 340.347 3.900 20 0 EHADRM CC1=C(C(=O)[O-])C[C@@H](CSc2nc3cc(F)cc(Cl)c3o2)O1 ZINC001594105609 998161994 /nfs/dbraw/zinc/16/19/94/998161994.db2.gz FCILMACXBOTIIB-QMMMGPOBSA-N -1 0 343.763 3.860 20 0 EHADRM CC1=C(C(=O)O[C@H](C(=O)[O-])c2ccccc2C(F)(F)F)CCC1 ZINC001594108316 998178094 /nfs/dbraw/zinc/17/80/94/998178094.db2.gz IDHMVLFKHDHLIV-ZDUSSCGKSA-N -1 0 328.286 3.875 20 0 EHADRM COCC(C)(C)CNc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC001599145137 998199311 /nfs/dbraw/zinc/19/93/11/998199311.db2.gz DJMBMGIUDJNIGA-UHFFFAOYSA-N -1 0 334.441 3.517 20 0 EHADRM CC1=C(C)C[C@H](C(=O)N[C@H](C)[C@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC001594110039 998202625 /nfs/dbraw/zinc/20/26/25/998202625.db2.gz OUNWBLRPOAIFJW-NXHRZFHOSA-N -1 0 329.440 3.571 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1O ZINC001599358525 998221357 /nfs/dbraw/zinc/22/13/57/998221357.db2.gz POOJAENNLWOBCZ-RWMBFGLXSA-N -1 0 347.411 3.644 20 0 EHADRM COC(=O)c1cc2cccc(NCc3cccc(C(=O)[O-])c3)c2s1 ZINC001598956977 998261300 /nfs/dbraw/zinc/26/13/00/998261300.db2.gz ROFQTUCEECEEMQ-UHFFFAOYSA-N -1 0 341.388 3.998 20 0 EHADRM COc1cc(C(=O)[O-])cc(N[C@H](C)Cc2ccc(F)cc2)c1OC ZINC001599361969 998275812 /nfs/dbraw/zinc/27/58/12/998275812.db2.gz ITSWUPBNBYEBNQ-LLVKDONJSA-N -1 0 333.359 3.584 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)c2ccc(C(C)(C)C)cc2)c1O ZINC001599362926 998289423 /nfs/dbraw/zinc/28/94/23/998289423.db2.gz ZYKYWIMESUIHPE-UHFFFAOYSA-N -1 0 343.379 3.649 20 0 EHADRM C[C@@H]1[C@H](C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)[C@H]1c1ccccc1 ZINC001594134321 998364282 /nfs/dbraw/zinc/36/42/82/998364282.db2.gz AOEBGWQEDKJQMG-NWKXPKBNSA-N -1 0 341.451 3.528 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC001594136683 998381071 /nfs/dbraw/zinc/38/10/71/998381071.db2.gz RGLFXZXEGQXEIY-KMTJZVEASA-N -1 0 335.403 3.641 20 0 EHADRM C[C@@H]1[C@@H](C(=O)N2CCCc3ccc(C(=O)[O-])cc32)[C@H]1c1ccccc1 ZINC001594136733 998381378 /nfs/dbraw/zinc/38/13/78/998381378.db2.gz RVVLQZRQTKCQHA-MJXNMMHHSA-N -1 0 335.403 3.714 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N1CCCC2(CCCC2)C1 ZINC001599372068 998426380 /nfs/dbraw/zinc/42/63/80/998426380.db2.gz ZNUPDUMUZUQYAP-UHFFFAOYSA-N -1 0 332.400 3.582 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)NC(C)(C)c1ccccc1F ZINC001599372433 998432467 /nfs/dbraw/zinc/43/24/67/998432467.db2.gz IMCKTFNJHLKCCS-UHFFFAOYSA-N -1 0 346.358 3.589 20 0 EHADRM COc1ccc(COc2ccccc2[C@H](OC)C(=O)[O-])cc1Cl ZINC001599575644 998438791 /nfs/dbraw/zinc/43/87/91/998438791.db2.gz GWOJGOJAPHDJTH-INIZCTEOSA-N -1 0 336.771 3.700 20 0 EHADRM COC[C@H](CC(C)(C)C)NC(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001599162302 998479222 /nfs/dbraw/zinc/47/92/22/998479222.db2.gz YUZSMJGJYKFNDR-NSHDSACASA-N -1 0 342.461 3.636 20 0 EHADRM COC(=O)c1ccc([C@H](C)S[C@H](Cc2ccc(C)cc2)C(=O)[O-])o1 ZINC001598969880 998494440 /nfs/dbraw/zinc/49/44/40/998494440.db2.gz QHESFBIRYLBCIK-BLLLJJGKSA-N -1 0 348.420 3.865 20 0 EHADRM COc1ccc(Cl)cc1N[C@H](C)c1ccccc1OCC(=O)[O-] ZINC001599579283 998500586 /nfs/dbraw/zinc/50/05/86/998500586.db2.gz PLOZNILJFAGZDB-LLVKDONJSA-N -1 0 335.787 3.985 20 0 EHADRM COc1ccc(-n2ccnc2SCC2(C(=O)[O-])CCCC2)c(C)c1 ZINC001599474344 998503348 /nfs/dbraw/zinc/50/33/48/998503348.db2.gz NSVLYRSBJCNMET-UHFFFAOYSA-N -1 0 346.452 3.926 20 0 EHADRM COCCn1c(SCc2csc(C(=O)[O-])c2)nc2ccccc21 ZINC001599270012 998534477 /nfs/dbraw/zinc/53/44/77/998534477.db2.gz OTKKTQBNIYAWBG-UHFFFAOYSA-N -1 0 348.449 3.735 20 0 EHADRM C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccccc1C(=O)[O-] ZINC001594172682 998663038 /nfs/dbraw/zinc/66/30/38/998663038.db2.gz GEZSSVTYIIYIQP-GXSJLCMTSA-N -1 0 330.306 3.580 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1c1oc(-c2ccccc2)nc1C(F)(F)F ZINC001594173019 998664269 /nfs/dbraw/zinc/66/42/69/998664269.db2.gz JXLSXIGPPWHMCJ-KOLCDFICSA-N -1 0 340.301 3.660 20 0 EHADRM C[C@H]1[C@H](Nc2ccc(Oc3cccnn3)cc2)CC[C@H]1CC(=O)[O-] ZINC001594185272 998718131 /nfs/dbraw/zinc/71/81/31/998718131.db2.gz OHDCDPPYLUAFCR-DVOMOZLQSA-N -1 0 327.384 3.570 20 0 EHADRM C[C@@H]1CC(=O)N(C)c2ccc(N[C@@H](C(=O)[O-])c3ccccc3F)cc21 ZINC001594198163 998766958 /nfs/dbraw/zinc/76/69/58/998766958.db2.gz BKCAXXMKGWNUNP-ADLMAVQZSA-N -1 0 342.370 3.534 20 0 EHADRM C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001594213586 998823528 /nfs/dbraw/zinc/82/35/28/998823528.db2.gz DYHHVOPEFDITDL-KOLCDFICSA-N -1 0 330.306 3.580 20 0 EHADRM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001594217442 998837539 /nfs/dbraw/zinc/83/75/39/998837539.db2.gz ROTKZEDBRUIQRD-ZANVPECISA-N -1 0 340.370 3.999 20 0 EHADRM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001594217694 998839251 /nfs/dbraw/zinc/83/92/51/998839251.db2.gz XCBXTLLATNJQKK-CJNGLKHVSA-N -1 0 348.443 3.876 20 0 EHADRM C[C@H]1C[C@H](C(=O)N2c3ccccc3C[C@H](C)[C@@H]2C(=O)[O-])C[C@@H](C)C1 ZINC001594219313 998841971 /nfs/dbraw/zinc/84/19/71/998841971.db2.gz GWCSYDYQWSAWPI-PVUDFCJISA-N -1 0 329.440 3.737 20 0 EHADRM C[C@@H]1CC(c2nc(COc3cccc(C(=O)[O-])c3)no2)C[C@@H](C)C1 ZINC001594223706 998862977 /nfs/dbraw/zinc/86/29/77/998862977.db2.gz YZUKWBUAALIGIR-RYUDHWBXSA-N -1 0 330.384 3.887 20 0 EHADRM C[C@@H]1C[C@@H](CC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)CC(C)(C)C1 ZINC001594232871 998888357 /nfs/dbraw/zinc/88/83/57/998888357.db2.gz TVJYMTXSZTTYMY-VWKPWSFCSA-N -1 0 345.483 3.998 20 0 EHADRM CO[C@H](C(=O)Nc1ccc(Cl)cc1C(=O)[O-])C1CCCCC1 ZINC001599027160 999024518 /nfs/dbraw/zinc/02/45/18/999024518.db2.gz QEBQCOPSJUDGLZ-AWEZNQCLSA-N -1 0 325.792 3.572 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001594270242 999044287 /nfs/dbraw/zinc/04/42/87/999044287.db2.gz RMVRZQBXISYETF-KRDZULTMSA-N -1 0 349.430 3.650 20 0 EHADRM CO[C@H](C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1)C1CCCCC1 ZINC001599030648 999048145 /nfs/dbraw/zinc/04/81/45/999048145.db2.gz CHUBYVMEYHROJJ-AWEZNQCLSA-N -1 0 326.776 3.539 20 0 EHADRM COC(C)(C)[C@H](C)NC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001599031408 999053229 /nfs/dbraw/zinc/05/32/29/999053229.db2.gz LXDOBWUGZKJIEW-ZDUSSCGKSA-N -1 0 341.407 3.595 20 0 EHADRM C[C@H]1C[C@@H](c2cccnc2)N(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC001594273168 999058944 /nfs/dbraw/zinc/05/89/44/999058944.db2.gz ZJBHOMFCEQPJKT-ZBEGNZNMSA-N -1 0 343.358 3.534 20 0 EHADRM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC001594283504 999098104 /nfs/dbraw/zinc/09/81/04/999098104.db2.gz GKPURQWDLBMRBR-ARJPQFTPSA-N -1 0 337.419 3.764 20 0 EHADRM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001594284225 999101883 /nfs/dbraw/zinc/10/18/83/999101883.db2.gz KSUWEAGSSMYLSP-NHMWIVBRSA-N -1 0 329.440 3.637 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001594291971 999126286 /nfs/dbraw/zinc/12/62/86/999126286.db2.gz INNARQBXJRFPRE-BREBYQMCSA-N -1 0 337.807 3.618 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)Nc2cc(-c3ccncc3)sc2C(=O)[O-])C1 ZINC001594294754 999133522 /nfs/dbraw/zinc/13/35/22/999133522.db2.gz ACPILMPTANSCIA-ZYHUDNBSSA-N -1 0 330.409 3.883 20 0 EHADRM C[C@@H]1CC[C@@](C)(/C=C\C(=O)N[C@H](C(=O)[O-])c2ccccc2)C1(C)C ZINC001594296191 999140485 /nfs/dbraw/zinc/14/04/85/999140485.db2.gz NVFJDEHZNVZIMH-JQLSRFCVSA-N -1 0 329.440 3.947 20 0 EHADRM CO[C@H](CNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccccc1 ZINC001599050114 999181351 /nfs/dbraw/zinc/18/13/51/999181351.db2.gz RJKDOJJURTULNB-OAHLLOKOSA-N -1 0 348.786 3.547 20 0 EHADRM C[C@H]1CC[C@](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)(C(=O)[O-])c2ccccc21 ZINC001594315217 999220256 /nfs/dbraw/zinc/22/02/56/999220256.db2.gz UUXAQZBBPSVDST-IEBLYUSBSA-N -1 0 341.451 3.806 20 0 EHADRM C[C@@H]1CC[C@@]([NH2+]Cc2cncc(Cl)c2)(C(=O)[O-])c2ccccc21 ZINC001594319495 999228184 /nfs/dbraw/zinc/22/81/84/999228184.db2.gz FCWBWIXHOKBCGW-XIKOKIGWSA-N -1 0 330.815 3.702 20 0 EHADRM CO[C@H](CS[C@@H](Cc1ccc(C)cc1)C(=O)[O-])Cc1ccccc1 ZINC001599060899 999264359 /nfs/dbraw/zinc/26/43/59/999264359.db2.gz XPHCLLFBEXBNRV-OALUTQOASA-N -1 0 344.476 3.982 20 0 EHADRM Cc1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2)cc1C(F)(F)F ZINC001594346682 999313254 /nfs/dbraw/zinc/31/32/54/999313254.db2.gz BMQOCWSGLUSHEW-UHFFFAOYSA-N -1 0 337.297 3.642 20 0 EHADRM C[C@H]1CCC[C@@H](OCCCCCC(=O)N[C@H](C(=O)[O-])C(C)(C)C)C1 ZINC001594354269 999338514 /nfs/dbraw/zinc/33/85/14/999338514.db2.gz BHUZRFYRTAYINC-ZMSDIMECSA-N -1 0 341.492 3.758 20 0 EHADRM CC(C)Oc1ccc(NC(=O)CO[C@@H]2CCC[C@H](C)C2)c(C(=O)[O-])c1 ZINC001594355424 999341337 /nfs/dbraw/zinc/34/13/37/999341337.db2.gz KEDJWBGQQQHWJZ-UONOGXRCSA-N -1 0 349.427 3.706 20 0 EHADRM C[C@@H]1CCC[C@H]1CC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001594357951 999353703 /nfs/dbraw/zinc/35/37/03/999353703.db2.gz RPAGXSKFCIHKLH-UKPHBRMFSA-N -1 0 329.440 3.747 20 0 EHADRM C[C@H]1CCC[C@@]1(C)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC001594358251 999355227 /nfs/dbraw/zinc/35/52/27/999355227.db2.gz WKTNOPXJDSZROI-FKIZINRSSA-N -1 0 340.423 3.577 20 0 EHADRM C[C@@H]1CCCC[C@H]1C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001594361879 999367586 /nfs/dbraw/zinc/36/75/86/999367586.db2.gz OFMWFYIUCDDZHD-UDZFHETQSA-N -1 0 327.783 3.547 20 0 EHADRM C[C@@H]1CCCC[C@@H]1NC(=S)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC001594370489 999396015 /nfs/dbraw/zinc/39/60/15/999396015.db2.gz HYWYHQJBYLUGMG-KOLCDFICSA-N -1 0 338.498 3.800 20 0 EHADRM C[C@@H]1CCCN1C(=O)CCSCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001594388131 999468957 /nfs/dbraw/zinc/46/89/57/999468957.db2.gz GHPZPCKOLSGPDK-LLVKDONJSA-N -1 0 341.860 3.672 20 0 EHADRM C[C@@H]1CCN(C(=O)NCC2(CC(=O)[O-])CCCC2)[C@@H](c2ccco2)C1 ZINC001594402271 999506719 /nfs/dbraw/zinc/50/67/19/999506719.db2.gz UUFDDBMWJSHCCY-HUUCEWRRSA-N -1 0 348.443 3.797 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])nc2)CC12CCCCC2 ZINC001594403925 999513007 /nfs/dbraw/zinc/51/30/07/999513007.db2.gz WKDZKWHPIIEMMI-ZDUSSCGKSA-N -1 0 331.416 3.604 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2cccc(C(=O)[O-])n2)[C@@H]1c1cccc(F)c1 ZINC001594406105 999519976 /nfs/dbraw/zinc/51/99/76/999519976.db2.gz RVBXZMFTKIBMSO-ZBEGNZNMSA-N -1 0 343.358 3.534 20 0 EHADRM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001594447958 999642170 /nfs/dbraw/zinc/64/21/70/999642170.db2.gz LLVDHFJVHDDSGI-ADLMAVQZSA-N -1 0 349.390 3.566 20 0 EHADRM Cc1ccc(CCCC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655581700 1016489958 /nfs/dbraw/zinc/48/99/58/1016489958.db2.gz BVYDHBBASXFULN-BHYGNILZSA-N -1 0 331.456 3.569 20 0 EHADRM O=S(=O)(Cc1cccc(F)c1)[N-]C1(C(F)(F)F)CCCCC1 ZINC000510225568 1016521295 /nfs/dbraw/zinc/52/12/95/1016521295.db2.gz YNCNVWZIQRUUTG-UHFFFAOYSA-N -1 0 339.354 3.510 20 0 EHADRM Cc1cnn(-c2ccccc2)c1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000084505119 1016584955 /nfs/dbraw/zinc/58/49/55/1016584955.db2.gz DFHQPGQCFDBXKM-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM COc1ccc(Nc2ccc(N)cc2C(F)(F)F)cc1C(=O)[O-] ZINC001209902305 1016659735 /nfs/dbraw/zinc/65/97/35/1016659735.db2.gz BOXBGLRPGMVLFX-UHFFFAOYSA-N -1 0 326.274 3.738 20 0 EHADRM C[C@@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)c1cccc(C2CC2)c1 ZINC000659405504 1016661929 /nfs/dbraw/zinc/66/19/29/1016661929.db2.gz ZVRZGFUTMLXGJT-CQSZACIVSA-N -1 0 344.455 3.911 20 0 EHADRM CC[C@@H](NC(=O)c1c(C)ccc(C)c1C(=O)[O-])c1ccccc1OC ZINC000327871657 1016762854 /nfs/dbraw/zinc/76/28/54/1016762854.db2.gz MPJGPSUJAIOJDK-OAHLLOKOSA-N -1 0 341.407 3.891 20 0 EHADRM Cc1cc(F)ccc1CSc1n[n-]c(=NCC(F)(F)F)s1 ZINC000547821514 1016848462 /nfs/dbraw/zinc/84/84/62/1016848462.db2.gz KEWGGVUORLZPBI-UHFFFAOYSA-N -1 0 337.367 3.674 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(F)c([O-])c(F)c2)CC[C@@H]1c1ccccc1 ZINC000180072002 1016886354 /nfs/dbraw/zinc/88/63/54/1016886354.db2.gz HLOAHTZEKXINBO-WFASDCNBSA-N -1 0 331.362 3.936 20 0 EHADRM O=C(Nc1ccc(F)cc1OCC1CC1)c1cc(F)c([O-])c(F)c1 ZINC000180056703 1016884210 /nfs/dbraw/zinc/88/42/10/1016884210.db2.gz WDZMNDXXZGQTGS-UHFFFAOYSA-N -1 0 337.297 3.851 20 0 EHADRM C[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)c1cccc(-n2cccn2)c1 ZINC000180105279 1016891439 /nfs/dbraw/zinc/89/14/39/1016891439.db2.gz UXPYEQXYSKHCLF-GFCCVEGCSA-N -1 0 341.798 3.722 20 0 EHADRM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)C1CCC(C(=O)[O-])CC1 ZINC000659759703 1016980862 /nfs/dbraw/zinc/98/08/62/1016980862.db2.gz UJADZKIGMQUFNF-ZBCRRDGASA-N -1 0 337.847 3.668 20 0 EHADRM C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655585317 1016984302 /nfs/dbraw/zinc/98/43/02/1016984302.db2.gz VIQFILRMBNLYBC-JFUSQASVSA-N -1 0 344.238 3.859 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)N(C)CCC(=O)[O-])c1ccc(Cl)cc1 ZINC000414594887 1017002071 /nfs/dbraw/zinc/00/20/71/1017002071.db2.gz AFCWPRLMRDFPOE-XHDPSFHLSA-N -1 0 326.824 3.543 20 0 EHADRM CCCN(C(=O)NCCCCCC(=O)[O-])[C@@H]1CCCc2cccnc21 ZINC000414606830 1017007774 /nfs/dbraw/zinc/00/77/74/1017007774.db2.gz FOXRQXUITPUXNK-MRXNPFEDSA-N -1 0 347.459 3.526 20 0 EHADRM Cc1nc(C2CCCC2)sc1C(=O)N(CC(=O)[O-])CC(C)(C)C ZINC000659782652 1017013406 /nfs/dbraw/zinc/01/34/06/1017013406.db2.gz ZWHANWYBQLGLKV-UHFFFAOYSA-N -1 0 338.473 3.682 20 0 EHADRM C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)c2cc3c(cc2O)OCO3)C1 ZINC000436655941 1032173745 /nfs/dbraw/zinc/17/37/45/1032173745.db2.gz HEAAQRQASLWKFH-BBRMVZONSA-N -1 0 339.391 3.734 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N(Cc1ccc(F)cc1)C1CC1 ZINC000183320925 1032193055 /nfs/dbraw/zinc/19/30/55/1032193055.db2.gz KIQDVAHEZPBRHC-UHFFFAOYSA-N -1 0 339.288 3.753 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCC[C@@]2(CC=CCC2)C1 ZINC000183622805 1032211853 /nfs/dbraw/zinc/21/18/53/1032211853.db2.gz WSWXTGDRPZQOMI-KRWDZBQOSA-N -1 0 325.330 3.772 20 0 EHADRM CSCc1ccccc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000184032881 1032228456 /nfs/dbraw/zinc/22/84/56/1032228456.db2.gz KGMJMHRUKXTNFT-UHFFFAOYSA-N -1 0 329.393 3.629 20 0 EHADRM CC(C)n1cc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)cn1 ZINC000552017753 1032248443 /nfs/dbraw/zinc/24/84/43/1032248443.db2.gz PEQAZJVFRFIAAE-UHFFFAOYSA-N -1 0 341.436 3.932 20 0 EHADRM C[C@@H](CC(=O)N(CC(=O)[O-])C1CCC1)c1ccccc1C(F)(F)F ZINC000655590822 1017076608 /nfs/dbraw/zinc/07/66/08/1017076608.db2.gz QERSNRYIZJZTOE-NSHDSACASA-N -1 0 343.345 3.665 20 0 EHADRM C[C@H](NC(=O)c1cccc(F)c1[O-])c1cccc(N2CCCC2)c1 ZINC001126994109 1032303214 /nfs/dbraw/zinc/30/32/14/1032303214.db2.gz LRDCSSMVWQTCQQ-ZDUSSCGKSA-N -1 0 328.387 3.623 20 0 EHADRM C[C@H]1C[C@@H](c2nc(=O)c3snc(-c4ccc(F)cc4)c3[n-]2)CCO1 ZINC000905030966 1032329788 /nfs/dbraw/zinc/32/97/88/1032329788.db2.gz CVPRMRSPMSDNKD-ONGXEEELSA-N -1 0 345.399 3.881 20 0 EHADRM C[C@@H]1C[C@H](c2nc(=O)c3snc(-c4ccc(F)cc4)c3[n-]2)CCO1 ZINC000905030965 1032330565 /nfs/dbraw/zinc/33/05/65/1032330565.db2.gz CVPRMRSPMSDNKD-MWLCHTKSSA-N -1 0 345.399 3.881 20 0 EHADRM Cc1ncoc1-c1ccc(NC(=O)CC2(C(=O)[O-])CCCC2)cc1 ZINC000905130184 1032358185 /nfs/dbraw/zinc/35/81/85/1032358185.db2.gz QIMFIJPONRJAPV-UHFFFAOYSA-N -1 0 328.368 3.624 20 0 EHADRM O=S(=O)(N[C@H](c1ccccn1)C1CCC1)c1cc2ccccc2o1 ZINC000528499344 1032360555 /nfs/dbraw/zinc/36/05/55/1032360555.db2.gz JKIHVVKLLSBSOK-SFHVURJKSA-N -1 0 342.420 3.648 20 0 EHADRM CC(C)(/C=C\Cl)NC(=O)C[C@@](C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000905140387 1032360478 /nfs/dbraw/zinc/36/04/78/1032360478.db2.gz ZFUBEBRDSOINAJ-HLRDLLSLSA-N -1 0 344.238 3.720 20 0 EHADRM CC(C)(C)Cc1csc([N-]S(=O)(=O)c2ccc(F)cc2F)n1 ZINC000538454063 1032380609 /nfs/dbraw/zinc/38/06/09/1032380609.db2.gz RDEGMVBGGWTMJE-UHFFFAOYSA-N -1 0 346.424 3.811 20 0 EHADRM CCC(CC)(CNC(=O)[C@@H](Sc1ccccc1)C(C)C)C(=O)[O-] ZINC000538466642 1032391118 /nfs/dbraw/zinc/39/11/18/1032391118.db2.gz OIWFBILDEIKWNC-HNNXBMFYSA-N -1 0 337.485 3.811 20 0 EHADRM CN(Cc1ccccc1-c1ccccc1)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000263053327 1032423312 /nfs/dbraw/zinc/42/33/12/1032423312.db2.gz FAQMSSCBIWGIPX-SJORKVTESA-N -1 0 337.419 3.813 20 0 EHADRM CC(C)(NC(=O)NCCCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000414631673 1017092772 /nfs/dbraw/zinc/09/27/72/1017092772.db2.gz WGTVTKIZDFLPTO-UHFFFAOYSA-N -1 0 326.824 3.519 20 0 EHADRM C[C@H]1Cc2ccccc2[C@H]1NC(=O)CC1(CC(=O)[O-])CCCCC1 ZINC000237595773 1017096433 /nfs/dbraw/zinc/09/64/33/1017096433.db2.gz RPJUNIVPZIILAF-LIRRHRJNSA-N -1 0 329.440 3.851 20 0 EHADRM Cc1ccc([C@H](C)CNC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000579912055 1017099370 /nfs/dbraw/zinc/09/93/70/1017099370.db2.gz XCTHGQUXSMSQQU-QAPCUYQASA-N -1 0 340.423 3.566 20 0 EHADRM CCC[C@](C)(NC(=O)Nc1ccc(OCC)c(Cl)c1)C(=O)[O-] ZINC000584429409 1032543394 /nfs/dbraw/zinc/54/33/94/1032543394.db2.gz KHNHZCZARZEMMZ-HNNXBMFYSA-N -1 0 328.796 3.504 20 0 EHADRM O=C([O-])c1cc(/C=C/c2ccc(OC(F)F)c(Cl)c2)ncn1 ZINC000090072058 1032557669 /nfs/dbraw/zinc/55/76/69/1032557669.db2.gz FADWKJPVCCTLNU-HNQUOIGGSA-N -1 0 326.686 3.600 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)[C@H](C)S[C@H](C)C(=O)[O-] ZINC000601987098 1032583961 /nfs/dbraw/zinc/58/39/61/1032583961.db2.gz QSHJOQBUWISAAQ-SDDRHHMPSA-N -1 0 335.425 3.513 20 0 EHADRM Cc1c(NC(=O)[C@H](C)S[C@H](C)C(=O)[O-])cccc1C(F)(F)F ZINC000601993879 1032585149 /nfs/dbraw/zinc/58/51/49/1032585149.db2.gz VYASDUNFZPZXEG-DTWKUNHWSA-N -1 0 335.347 3.547 20 0 EHADRM CCS[C@@H]1CCCC[C@@H]1NC(=O)c1c(C)ccc(C)c1C(=O)[O-] ZINC000601999662 1032586141 /nfs/dbraw/zinc/58/61/41/1032586141.db2.gz JVRKYKXLCWKKBP-UONOGXRCSA-N -1 0 335.469 3.796 20 0 EHADRM Cc1ccc(C)c([C@@H]2CCCN2C(=O)[C@H](C)S[C@@H](C)C(=O)[O-])c1 ZINC000601998742 1032587089 /nfs/dbraw/zinc/58/70/89/1032587089.db2.gz IMBJPLYZIFWSBF-DZKIICNBSA-N -1 0 335.469 3.562 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)N[C@@H]1C[C@H]2CCC(C)(C)c3cccc1c32 ZINC000414642283 1017103716 /nfs/dbraw/zinc/10/37/16/1017103716.db2.gz LZRSRLVHOGEDTC-CZUORRHYSA-N -1 0 344.455 3.793 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)nc2)sc1C ZINC000091012849 1032615693 /nfs/dbraw/zinc/61/56/93/1032615693.db2.gz ZUFLOWBAJQTPEV-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)[C@@H](C(=O)[O-])C1 ZINC000128217416 1017138113 /nfs/dbraw/zinc/13/81/13/1017138113.db2.gz MMVFHUGCUJGTSN-QPUJVOFHSA-N -1 0 331.199 3.710 20 0 EHADRM CC1(CS(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CCCCC1 ZINC000547871373 1017153991 /nfs/dbraw/zinc/15/39/91/1017153991.db2.gz XHURITWOADAMBN-UHFFFAOYSA-N -1 0 345.848 3.750 20 0 EHADRM CCCCN(c1ccccc1)S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000325111811 1017264623 /nfs/dbraw/zinc/26/46/23/1017264623.db2.gz GMPLVHPNOMWUOL-UHFFFAOYSA-N -1 0 347.436 3.521 20 0 EHADRM Cc1ccc(NC(=O)c2nn(-c3ccccc3)cc2[O-])c(Cl)c1 ZINC000121154749 1017718721 /nfs/dbraw/zinc/71/87/21/1017718721.db2.gz FLWZQITUXUCFLD-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM O=C([O-])C1(CC(=O)NC[C@H]2CCCCC2(F)F)CCCCCC1 ZINC000389663620 1032721047 /nfs/dbraw/zinc/72/10/47/1032721047.db2.gz CKJMTRGSIUJAHG-CYBMUJFWSA-N -1 0 331.403 3.743 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)Nc1cc(Cl)c(OCC)c(Cl)c1 ZINC000574134337 1032727970 /nfs/dbraw/zinc/72/79/70/1032727970.db2.gz LHFODHCDFZIXBL-UHFFFAOYSA-N -1 0 349.214 3.721 20 0 EHADRM O=C([N-]S(=O)(=O)/C=C\c1ccccc1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000255125489 1017861263 /nfs/dbraw/zinc/86/12/63/1017861263.db2.gz RNJOYDLXBFVBSH-NSKSQELHSA-N -1 0 347.480 3.710 20 0 EHADRM C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)C(C)(C)C(=O)[O-])c2)C1 ZINC000584530536 1017892269 /nfs/dbraw/zinc/89/22/69/1017892269.db2.gz XCZZAKQBHOKHBP-XJKSGUPXSA-N -1 0 333.428 3.831 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1c[nH]nc1-c1ccco1 ZINC001137572959 1018050487 /nfs/dbraw/zinc/05/04/87/1018050487.db2.gz QTGPUXWXXBGVPR-UHFFFAOYSA-N -1 0 338.150 3.934 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N2CCc3cc(F)ccc3[C@H]2C)s1 ZINC000606543868 1032744217 /nfs/dbraw/zinc/74/42/17/1032744217.db2.gz JVLBOYKXHKTXJA-LLVKDONJSA-N -1 0 348.447 3.593 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000584534758 1018172676 /nfs/dbraw/zinc/17/26/76/1018172676.db2.gz CWYIZKBYLKYSLS-SFHVURJKSA-N -1 0 343.423 3.510 20 0 EHADRM Cc1ccccc1-c1n[n-]c(=NCc2cnc(C(F)(F)F)s2)o1 ZINC000340552300 1018400806 /nfs/dbraw/zinc/40/08/06/1018400806.db2.gz DFDFSKNJVCRLKL-UHFFFAOYSA-N -1 0 340.330 3.554 20 0 EHADRM C[C@]12CSC[C@H]1CN(C(=O)c1cc(Cl)cc(Cl)c1[O-])C2 ZINC000891195817 1018535688 /nfs/dbraw/zinc/53/56/88/1018535688.db2.gz LBPFLYCUTCFKTH-CLAHSXSESA-N -1 0 332.252 3.524 20 0 EHADRM O=C([O-])c1nc(-c2ccccc2OC[C@@H]2CCOC2)sc1Cl ZINC000580096905 1018635525 /nfs/dbraw/zinc/63/55/25/1018635525.db2.gz SMAJDWGLFZKVET-SECBINFHSA-N -1 0 339.800 3.577 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)C1CC2(C1)CCCCC2 ZINC000614386835 1018942694 /nfs/dbraw/zinc/94/26/94/1018942694.db2.gz IMMJRULHRSASAN-UHFFFAOYSA-N -1 0 340.427 3.785 20 0 EHADRM CSc1ccc(C)c(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)c1 ZINC000261760580 1018984178 /nfs/dbraw/zinc/98/41/78/1018984178.db2.gz VTGUHZDXYSNWPW-UHFFFAOYSA-N -1 0 341.432 3.614 20 0 EHADRM O=S(=O)(Cc1ccccc1)[N-]c1nc2ccc(Cl)cc2s1 ZINC000028577134 1019097134 /nfs/dbraw/zinc/09/71/34/1019097134.db2.gz NEKYMSCIMQOBPG-UHFFFAOYSA-N -1 0 338.841 3.892 20 0 EHADRM CC(C)Oc1ccnc(CSCc2cc(=O)[nH]c(C3CC3)n2)c1 ZINC000593200527 1032809193 /nfs/dbraw/zinc/80/91/93/1032809193.db2.gz YDEJZPOVLRBBJT-UHFFFAOYSA-N -1 0 331.441 3.675 20 0 EHADRM O=C([O-])c1cccc(NCc2ccc(OCc3ccncc3)cc2)c1 ZINC000340672440 1019147176 /nfs/dbraw/zinc/14/71/76/1019147176.db2.gz BIMNMXYHSOPZPT-UHFFFAOYSA-N -1 0 334.375 3.971 20 0 EHADRM Nc1ccc(F)c(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)c1 ZINC001211834833 1019199398 /nfs/dbraw/zinc/19/93/98/1019199398.db2.gz FEFIKJJGCHZRMJ-UHFFFAOYSA-N -1 0 332.356 3.551 20 0 EHADRM CC(C)C[C@H](C[NH2+]Cc1c(Cl)cccc1OC(F)F)C(=O)[O-] ZINC000669479492 1032825258 /nfs/dbraw/zinc/82/52/58/1032825258.db2.gz MWGWTYWHQQAAMK-SNVBAGLBSA-N -1 0 335.778 3.778 20 0 EHADRM CCc1n[n-]c(=NC(=O)c2ccc(C(C)(C)C(F)(F)F)cc2)s1 ZINC000433579449 1019390940 /nfs/dbraw/zinc/39/09/40/1019390940.db2.gz AKIDEFCONUHOTO-UHFFFAOYSA-N -1 0 343.374 3.615 20 0 EHADRM FC(F)(F)COc1cccc(N=c2[n-]nc(C(F)(F)F)s2)c1 ZINC000576641755 1019453163 /nfs/dbraw/zinc/45/31/63/1019453163.db2.gz RDWZBDUHBKRSPV-UHFFFAOYSA-N -1 0 343.252 3.664 20 0 EHADRM COc1cc(CNc2cccc(C(=O)[O-])c2C)ccc1OC(F)F ZINC000340700101 1019456965 /nfs/dbraw/zinc/45/69/65/1019456965.db2.gz ZSVRNTDGERFOLF-UHFFFAOYSA-N -1 0 337.322 3.915 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)CCCc1ccc(F)cc1 ZINC000656236210 1019498208 /nfs/dbraw/zinc/49/82/08/1019498208.db2.gz FLRSTQIVSLTXLX-SFHVURJKSA-N -1 0 343.398 3.789 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C[C@@H]1OCc2ccccc21 ZINC000656237725 1019504245 /nfs/dbraw/zinc/50/42/45/1019504245.db2.gz DANMVVPDMSSWJU-KRWDZBQOSA-N -1 0 325.364 3.602 20 0 EHADRM CC(C)c1cc(Br)ccc1NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000262044161 1019520985 /nfs/dbraw/zinc/52/09/85/1019520985.db2.gz HWYYCJDCIXHYQZ-MNOVXSKESA-N -1 0 340.217 3.622 20 0 EHADRM C[C@@]1(C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC=CCC1 ZINC000408479301 1019557986 /nfs/dbraw/zinc/55/79/86/1019557986.db2.gz ADQURWOIPIDJHY-CQSZACIVSA-N -1 0 348.251 3.545 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2F)c(C)c1O ZINC000055616277 1019584634 /nfs/dbraw/zinc/58/46/34/1019584634.db2.gz LYYMJSSCHYOKQR-UHFFFAOYSA-N -1 0 329.780 3.602 20 0 EHADRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(Cl)ccc2F)c1C ZINC000340727116 1019637451 /nfs/dbraw/zinc/63/74/51/1019637451.db2.gz RTPVCEUHLOPNGG-VIFPVBQESA-N -1 0 345.827 3.756 20 0 EHADRM CC(C)(C)c1ccc(O)c([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000433806015 1019649841 /nfs/dbraw/zinc/64/98/41/1019649841.db2.gz OGNFWOCPPOJJQJ-UHFFFAOYSA-N -1 0 347.436 3.521 20 0 EHADRM COc1cc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc(OC)c1C ZINC000262525639 1019655175 /nfs/dbraw/zinc/65/51/75/1019655175.db2.gz ONYZXYRFRTUNBR-UHFFFAOYSA-N -1 0 343.379 3.580 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@H]2CCCC[C@H]2C(F)(F)F)cc1C(=O)[O-] ZINC000262547006 1019660608 /nfs/dbraw/zinc/66/06/08/1019660608.db2.gz WFDQWRGTAQLMSO-WCQYABFASA-N -1 0 347.333 3.613 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000262848241 1019745473 /nfs/dbraw/zinc/74/54/73/1019745473.db2.gz CWIWXZCJXIPBBD-ONGXEEELSA-N -1 0 345.317 3.701 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)N([C@H](C)C(=O)[O-])C1CCC1 ZINC000580614337 1019752143 /nfs/dbraw/zinc/75/21/43/1019752143.db2.gz XCJGSXPNBGMOKT-HUUCEWRRSA-N -1 0 346.471 3.780 20 0 EHADRM C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)CC[C@@H]1C(=O)[O-] ZINC000262871515 1019753703 /nfs/dbraw/zinc/75/37/03/1019753703.db2.gz GCFRCYLTCSBQAT-VUKOWNLVSA-N -1 0 337.419 3.513 20 0 EHADRM CC(C)[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)c1cccc(Cl)c1 ZINC000262894413 1019761047 /nfs/dbraw/zinc/76/10/47/1019761047.db2.gz HRMCUNLLAZOVDE-KCXAZCMYSA-N -1 0 337.847 3.649 20 0 EHADRM Cc1ccc(CS(=O)(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1C ZINC000580651841 1019791236 /nfs/dbraw/zinc/79/12/36/1019791236.db2.gz UGBXLTMBOTXVEY-UHFFFAOYSA-N -1 0 347.436 3.560 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)[C@@H](C(=O)[O-])C1 ZINC000263039126 1019796593 /nfs/dbraw/zinc/79/65/93/1019796593.db2.gz PAWXKGLQLFWRPL-BXUZGUMPSA-N -1 0 347.798 3.925 20 0 EHADRM Cc1cc(NC(=O)CCCCC(=O)[O-])ccc1Oc1cccnc1 ZINC000263241965 1019848987 /nfs/dbraw/zinc/84/89/87/1019848987.db2.gz CJJBIZXRVFLYHH-UHFFFAOYSA-N -1 0 328.368 3.766 20 0 EHADRM CCCc1occc1C(=O)N[C@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC000263479665 1019913968 /nfs/dbraw/zinc/91/39/68/1019913968.db2.gz AIENYLQPRAITJP-OAHLLOKOSA-N -1 0 347.436 3.900 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000263526563 1019924765 /nfs/dbraw/zinc/92/47/65/1019924765.db2.gz KEISTTKIXXSCLD-FVVUREQNSA-N -1 0 341.451 3.672 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(Br)c2)c(C)o1 ZINC000345131595 1019959658 /nfs/dbraw/zinc/95/96/58/1019959658.db2.gz WROOLXTYOUZKNM-UHFFFAOYSA-N -1 0 348.193 3.599 20 0 EHADRM CC(=O)c1cccc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1O ZINC000580775320 1020002502 /nfs/dbraw/zinc/00/25/02/1020002502.db2.gz CXVOFWLVDFFRIR-GHMZBOCLSA-N -1 0 329.318 3.902 20 0 EHADRM CCN(CC(=O)[O-])C(=O)Nc1cccc(CO[C@H]2CCC[C@@H](C)C2)c1 ZINC000580792987 1020017052 /nfs/dbraw/zinc/01/70/52/1020017052.db2.gz NHBLCTHQVDTCOU-PBHICJAKSA-N -1 0 348.443 3.720 20 0 EHADRM Cc1cc(F)cc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c1 ZINC000091513041 1020066015 /nfs/dbraw/zinc/06/60/15/1020066015.db2.gz UOFTXIQLZUJFLJ-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CC(C)n1cc(N=c2[n-]nc(-c3c[nH]c4ccccc34)n2C2CC2)cn1 ZINC000580903467 1020206937 /nfs/dbraw/zinc/20/69/37/1020206937.db2.gz UBCLNYNRMTZRET-UHFFFAOYSA-N -1 0 347.426 3.704 20 0 EHADRM FC(F)(F)c1nc(=NCCc2c[nH]c3ccc(Cl)cc23)s[n-]1 ZINC000580908496 1020217244 /nfs/dbraw/zinc/21/72/44/1020217244.db2.gz AWRZATBYIFQUBG-UHFFFAOYSA-N -1 0 346.765 3.768 20 0 EHADRM Cc1cc(=O)[nH]c(-c2ccc(NC(=O)C3(C4CCC4)CCC3)cc2)n1 ZINC000580934959 1020270020 /nfs/dbraw/zinc/27/00/20/1020270020.db2.gz IGGBYDDVMFDRTB-UHFFFAOYSA-N -1 0 337.423 3.654 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(Cl)c(Br)c1 ZINC000263487097 1020413695 /nfs/dbraw/zinc/41/36/95/1020413695.db2.gz HOHKJVXFEKUXDU-GXSJLCMTSA-N -1 0 346.652 3.788 20 0 EHADRM Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)CCCc1ccc(O)c(F)c1 ZINC000345798152 1020527094 /nfs/dbraw/zinc/52/70/94/1020527094.db2.gz YCSMZSXWEIMEDI-MRXNPFEDSA-N -1 0 345.418 3.558 20 0 EHADRM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1cccc(-c2ccoc2)c1 ZINC000089793501 1020629276 /nfs/dbraw/zinc/62/92/76/1020629276.db2.gz NQDOVNMKBYDBJX-UHFFFAOYSA-N -1 0 347.330 3.955 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000467078300 1020658855 /nfs/dbraw/zinc/65/88/55/1020658855.db2.gz GXKBEYXDAATEGZ-UHFFFAOYSA-N -1 0 347.436 3.873 20 0 EHADRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c1C ZINC000340973559 1020719838 /nfs/dbraw/zinc/71/98/38/1020719838.db2.gz QMBLKNOSBJPVBX-JTQLQIEISA-N -1 0 343.399 3.901 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)N3CC4CC3(C(=O)[O-])C4)cc2s1 ZINC000656505855 1020765393 /nfs/dbraw/zinc/76/53/93/1020765393.db2.gz PFFFGCBZWLBZCS-UHFFFAOYSA-N -1 0 345.424 3.501 20 0 EHADRM O=C(N=c1[n-]nc(C(F)(F)F)s1)c1ccc(-c2cccs2)o1 ZINC000341082179 1020959042 /nfs/dbraw/zinc/95/90/42/1020959042.db2.gz LSKSFPQQWLKJCX-UHFFFAOYSA-N -1 0 345.327 3.553 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)Nc2ccc3c(c2)C=CCCC3)C1 ZINC000656605275 1020995236 /nfs/dbraw/zinc/99/52/36/1020995236.db2.gz QTKAMECMWNAYPU-CQSZACIVSA-N -1 0 328.412 3.755 20 0 EHADRM Cc1n[n-]c(=NC(=O)N[C@H](CC(C)C)c2ccc(Cl)cc2)s1 ZINC000341182479 1021053052 /nfs/dbraw/zinc/05/30/52/1021053052.db2.gz RVMUSGGVVNPCKI-CYBMUJFWSA-N -1 0 338.864 3.831 20 0 EHADRM CCOC(=O)C(C)(C)N(C)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000094132769 1032952180 /nfs/dbraw/zinc/95/21/80/1032952180.db2.gz LVUXHCPIJKTDRU-UHFFFAOYSA-N -1 0 349.814 3.613 20 0 EHADRM CCc1oc(C(=O)N2CC[C@@](F)(c3ccccc3C)C2)cc1C(=O)[O-] ZINC000581550904 1021079723 /nfs/dbraw/zinc/07/97/23/1021079723.db2.gz SXRRSFJJWSMZOP-IBGZPJMESA-N -1 0 345.370 3.560 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)c1ccc(COc2ccccc2)cc1 ZINC000341208604 1021101242 /nfs/dbraw/zinc/10/12/42/1021101242.db2.gz BHILUXJJQQGEQG-UHFFFAOYSA-N -1 0 345.402 3.607 20 0 EHADRM Cc1cnc([C@H](C)Sc2n[n-]c(=NC3CCCCC3)s2)cn1 ZINC000518464014 1021206494 /nfs/dbraw/zinc/20/64/94/1021206494.db2.gz WZEDEGIVHLOFOU-NSHDSACASA-N -1 0 335.502 3.656 20 0 EHADRM Cn1c2cccc(Br)c2nc1-c1cc(F)c([O-])c(F)c1 ZINC000436769798 1021218531 /nfs/dbraw/zinc/21/85/31/1021218531.db2.gz IZHYVTQJYHJUQE-UHFFFAOYSA-N -1 0 339.139 3.987 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2nnc(CCC(C)C)s2)s1 ZINC000656736415 1021231583 /nfs/dbraw/zinc/23/15/83/1021231583.db2.gz DMUBNCLAUJBPOT-UHFFFAOYSA-N -1 0 345.515 3.606 20 0 EHADRM CCCc1c(NC(=O)c2cc(F)ccc2O)cnn1-c1ccccc1 ZINC000436796741 1021242480 /nfs/dbraw/zinc/24/24/80/1021242480.db2.gz KRBTWLMZWMNSED-UHFFFAOYSA-N -1 0 339.370 3.922 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1csc(-c2ncccc2F)n1 ZINC000507407867 1021243773 /nfs/dbraw/zinc/24/37/73/1021243773.db2.gz VQIVHFWJHUPSLK-UHFFFAOYSA-N -1 0 349.774 3.956 20 0 EHADRM O=C(N[C@H]1COc2ccc(F)cc21)c1c([O-])cc(Cl)cc1Cl ZINC000436806208 1021250471 /nfs/dbraw/zinc/25/04/71/1021250471.db2.gz HEADKYSSECBXBN-NSHDSACASA-N -1 0 342.153 3.702 20 0 EHADRM CC[C@@H]1CN(C(=O)c2cc(OC)ccc2O)c2cccc(Cl)c2O1 ZINC000436839412 1021283999 /nfs/dbraw/zinc/28/39/99/1021283999.db2.gz MEBNSMXROVVLLB-LLVKDONJSA-N -1 0 347.798 3.872 20 0 EHADRM Cc1ccc(O)c(NC(=O)c2cc(F)cc(Br)c2[O-])c1 ZINC000436848384 1021292865 /nfs/dbraw/zinc/29/28/65/1021292865.db2.gz OGXQWJWNCAHKID-UHFFFAOYSA-N -1 0 340.148 3.560 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc(F)cc(Br)c2[O-])CC1(C)C ZINC000436851298 1021293212 /nfs/dbraw/zinc/29/32/12/1021293212.db2.gz LHAVTGLGLYRUIU-SECBINFHSA-N -1 0 344.224 3.802 20 0 EHADRM O=C([O-])c1ccc2nc(/C=C\c3cnn(Cc4ccccc4)c3)oc2c1 ZINC000439267029 1021294160 /nfs/dbraw/zinc/29/41/60/1021294160.db2.gz CEBPVJKUWWUIFS-TWGQIWQCSA-N -1 0 345.358 3.941 20 0 EHADRM CCCN(C[C@H]1CCCCO1)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436859198 1021296578 /nfs/dbraw/zinc/29/65/78/1021296578.db2.gz RUSGBEQQGZYYHP-GFCCVEGCSA-N -1 0 329.799 3.606 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)c1 ZINC000436859716 1021297809 /nfs/dbraw/zinc/29/78/09/1021297809.db2.gz CJASYHILBCLOSP-HUUCEWRRSA-N -1 0 329.783 3.990 20 0 EHADRM COc1cccc(/C=C\c2nc3ccc(C(=O)[O-])cc3o2)c1OC ZINC000439273651 1021308727 /nfs/dbraw/zinc/30/87/27/1021308727.db2.gz MJOXAOOARLERBB-CLFYSBASSA-N -1 0 325.320 3.714 20 0 EHADRM CN(C)Cc1ccsc1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000353894668 1021309161 /nfs/dbraw/zinc/30/91/61/1021309161.db2.gz NREZZUUBVIBEIK-UHFFFAOYSA-N -1 0 328.796 3.560 20 0 EHADRM O=C([O-])c1ccc2nc(/C=C/c3cnn(-c4ccccc4)c3)oc2c1 ZINC000439278128 1021316438 /nfs/dbraw/zinc/31/64/38/1021316438.db2.gz PCBVDLDXPXJLQA-RMKNXTFCSA-N -1 0 331.331 3.882 20 0 EHADRM O=C(Nc1ccnn1Cc1ccccc1)c1cc(F)c([O-])c(Cl)c1 ZINC000436878760 1021327081 /nfs/dbraw/zinc/32/70/81/1021327081.db2.gz DCCJCKWLRFBELY-UHFFFAOYSA-N -1 0 345.761 3.682 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2ccn(C3CCCCC3)n2)c1 ZINC000436879067 1021327650 /nfs/dbraw/zinc/32/76/50/1021327650.db2.gz IDLYTYQYNWRXPN-UHFFFAOYSA-N -1 0 327.384 3.549 20 0 EHADRM Cc1ccc(-c2cc(C(=O)Nc3cc(F)cc(Cl)c3[O-])n[nH]2)o1 ZINC000436908028 1021351367 /nfs/dbraw/zinc/35/13/67/1021351367.db2.gz LRRKXBYDXGPYNQ-UHFFFAOYSA-N -1 0 335.722 3.729 20 0 EHADRM Cc1cccc(N(C)C(=O)c2cc(F)cc(Br)c2[O-])c1 ZINC000436896227 1021357785 /nfs/dbraw/zinc/35/77/85/1021357785.db2.gz MHFCPVXISVOVBJ-UHFFFAOYSA-N -1 0 338.176 3.879 20 0 EHADRM CC[C@H](C)n1nc(C(=O)Nc2cc(F)cc(Cl)c2[O-])cc1C ZINC000436899381 1021364259 /nfs/dbraw/zinc/36/42/59/1021364259.db2.gz DUJNNQODPZSULY-QMMMGPOBSA-N -1 0 325.771 3.913 20 0 EHADRM CCN=c1[n-]nc(SCCOc2ccc3ccccc3c2)s1 ZINC000506547687 1021365100 /nfs/dbraw/zinc/36/51/00/1021365100.db2.gz IPXCHTBGSYPWAO-UHFFFAOYSA-N -1 0 331.466 3.716 20 0 EHADRM O=C([O-])c1nc(/C=C/c2ccc(O)c(F)c2)sc1Br ZINC000436930935 1021367470 /nfs/dbraw/zinc/36/74/70/1021367470.db2.gz IFLLAZHUOVGFIM-DUXPYHPUSA-N -1 0 344.161 3.619 20 0 EHADRM C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436913834 1021370899 /nfs/dbraw/zinc/37/08/99/1021370899.db2.gz HGRIBLMUSWWUSH-APPZFPTMSA-N -1 0 339.716 3.988 20 0 EHADRM [O-]c1cc(Cl)ccc1-c1nc(-c2ccc(OCC3CC3)nc2)no1 ZINC000436919872 1021375555 /nfs/dbraw/zinc/37/55/55/1021375555.db2.gz PNVCMJIYDGVPTE-UHFFFAOYSA-N -1 0 343.770 3.946 20 0 EHADRM CCCOc1ccc(CNC(=O)c2cc(F)c([O-])c(Cl)c2)cc1 ZINC000436934949 1021396273 /nfs/dbraw/zinc/39/62/73/1021396273.db2.gz UWGTXSNSNWJMIK-UHFFFAOYSA-N -1 0 337.778 3.904 20 0 EHADRM O=C(Nc1ncccc1O)c1cc2ccccc2n1CC(F)(F)F ZINC000427460780 1021406515 /nfs/dbraw/zinc/40/65/15/1021406515.db2.gz XPVQKZHVQDYNSZ-UHFFFAOYSA-N -1 0 335.285 3.557 20 0 EHADRM CCC(CC)(C(=O)Nc1cc(C(C)=O)ccc1[O-])C(=O)OC(C)(C)C ZINC000593580532 1032976844 /nfs/dbraw/zinc/97/68/44/1032976844.db2.gz GQIZPXYKMCOHSY-UHFFFAOYSA-N -1 0 349.427 3.681 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@H]2CCCc3sc(Cl)cc32)CCCC1 ZINC000427450482 1021407389 /nfs/dbraw/zinc/40/73/89/1021407389.db2.gz MPNCNHSGIRQMAG-NSHDSACASA-N -1 0 341.860 3.930 20 0 EHADRM O=C(NCCc1ccc(F)cc1Cl)c1ccc([O-])c(Cl)c1 ZINC000436948936 1021409268 /nfs/dbraw/zinc/40/92/68/1021409268.db2.gz IPPBEKPLKZYCGL-UHFFFAOYSA-N -1 0 328.170 3.811 20 0 EHADRM O=C(Nc1ccc(OC(F)F)c2ncccc12)c1c([O-])cccc1F ZINC000436948610 1021410146 /nfs/dbraw/zinc/41/01/46/1021410146.db2.gz JYQOMDOLOUESTG-UHFFFAOYSA-N -1 0 348.280 3.933 20 0 EHADRM CC[C@@H](C)n1ncc(NC(=O)c2cc(F)c([O-])c(F)c2)c1C1CC1 ZINC000436967535 1021414448 /nfs/dbraw/zinc/41/44/48/1021414448.db2.gz PXLRPYBTDBYRJA-SECBINFHSA-N -1 0 335.354 3.968 20 0 EHADRM Cc1ccc(Cc2n[n-]c(=NC(=O)N3CCC(C)(C)CC3)s2)cc1 ZINC000518681893 1021419351 /nfs/dbraw/zinc/41/93/51/1021419351.db2.gz LFUXYKMFYDJLBZ-UHFFFAOYSA-N -1 0 344.484 3.513 20 0 EHADRM CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436957585 1021420670 /nfs/dbraw/zinc/42/06/70/1021420670.db2.gz YNXICUYEUPQSHB-QWHCGFSZSA-N -1 0 329.799 3.508 20 0 EHADRM O=C(NCCc1cccc(-c2ccccc2)c1)C(=O)c1ccc(O)cc1 ZINC000436955931 1021421763 /nfs/dbraw/zinc/42/17/63/1021421763.db2.gz NRFBMIPUFDVOLF-UHFFFAOYSA-N -1 0 345.398 3.601 20 0 EHADRM O=C(N=c1cc(C2CCCCCC2)[nH][nH]1)c1ccc([O-])c(Cl)c1 ZINC000436973887 1021427983 /nfs/dbraw/zinc/42/79/83/1021427983.db2.gz VQIZTZKSCLEZJY-UHFFFAOYSA-N -1 0 333.819 3.881 20 0 EHADRM COc1cc(NC(=O)c2ccc(F)cc2[O-])cc(OC)c1C(C)C ZINC000436973427 1021428310 /nfs/dbraw/zinc/42/83/10/1021428310.db2.gz SYBJRPNHNZELMW-UHFFFAOYSA-N -1 0 333.359 3.924 20 0 EHADRM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cc(F)c([O-])c(F)c1)[C@H]2C ZINC000436970229 1021441088 /nfs/dbraw/zinc/44/10/88/1021441088.db2.gz LBLZNVWLZHVHMP-QWRGUYRKSA-N -1 0 347.361 3.827 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1-n1cc(N)c2cc(Br)ccc21 ZINC001211621130 1032979642 /nfs/dbraw/zinc/97/96/42/1032979642.db2.gz YDSLIEDUTKOGLS-UHFFFAOYSA-N -1 0 345.196 3.982 20 0 EHADRM CCc1nc(C)c(NC(=O)c2ccc(Br)cc2[O-])s1 ZINC000436992830 1021448938 /nfs/dbraw/zinc/44/89/38/1021448938.db2.gz WUHWNOOFPNMVNZ-UHFFFAOYSA-N -1 0 341.230 3.734 20 0 EHADRM C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436999113 1021469386 /nfs/dbraw/zinc/46/93/86/1021469386.db2.gz IZPSLBXKWSTYGM-IMTBSYHQSA-N -1 0 325.689 3.598 20 0 EHADRM CC(C)[C@H](Sc1ccccc1)C(=O)N1C[C@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000341346473 1021479539 /nfs/dbraw/zinc/47/95/39/1021479539.db2.gz GRJSSOZQFVHPFI-ALKREAHSSA-N -1 0 347.480 3.517 20 0 EHADRM CCC[C@@H]1CCC[C@@H]1C(=O)N[C@@H](CC(=O)[O-])c1cccc(OC)c1 ZINC000518797128 1021578790 /nfs/dbraw/zinc/57/87/90/1021578790.db2.gz KQQUJZWMEJTBHR-COXVUDFISA-N -1 0 333.428 3.544 20 0 EHADRM O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1cnc2ccsc2c1 ZINC000439584067 1021579684 /nfs/dbraw/zinc/57/96/84/1021579684.db2.gz ZYUJOJOMRSUMMY-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM CCCCCc1nnc([N-]S(=O)(=O)c2cc(C)ccc2C)s1 ZINC000437201607 1021637971 /nfs/dbraw/zinc/63/79/71/1021637971.db2.gz SQEVVAXKKJBYMS-UHFFFAOYSA-N -1 0 339.486 3.688 20 0 EHADRM CCSc1ccc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000439714296 1021657293 /nfs/dbraw/zinc/65/72/93/1021657293.db2.gz BXNDGTDQRMEUFU-OAHLLOKOSA-N -1 0 327.405 3.627 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000439700319 1021660776 /nfs/dbraw/zinc/66/07/76/1021660776.db2.gz XDCWWOXPFNEEOO-RDTXWAMCSA-N -1 0 337.419 3.958 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC[C@@H](C)[C@@H]3C)n2)cc1 ZINC000439801102 1021724584 /nfs/dbraw/zinc/72/45/84/1021724584.db2.gz KSYHKDUSCOUCRF-CABCVRRESA-N -1 0 341.455 3.962 20 0 EHADRM COCCc1nc(=NCc2ccccc2Oc2ccccc2)s[n-]1 ZINC000426493004 1021726306 /nfs/dbraw/zinc/72/63/06/1021726306.db2.gz VPBRLZFDVKBSOV-UHFFFAOYSA-N -1 0 341.436 3.553 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2)cc1Cl ZINC000437340930 1021735576 /nfs/dbraw/zinc/73/55/76/1021735576.db2.gz LMPKYVMMKDMAQC-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM Cc1c(C(=O)Nc2c(O)cccc2Cl)cnn1-c1ccccc1F ZINC000516796283 1021739640 /nfs/dbraw/zinc/73/96/40/1021739640.db2.gz BSEMZDHARDWPJB-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM Cc1ccc([C@@H]2CCN(C(=O)c3nn(-c4ccccc4)cc3[O-])C2)cc1 ZINC000516811038 1021746206 /nfs/dbraw/zinc/74/62/06/1021746206.db2.gz ABUWOCLBESDHOV-QGZVFWFLSA-N -1 0 347.418 3.516 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)[C@H]2C[C@H]2C2CCCC2)c1 ZINC000593695396 1033007143 /nfs/dbraw/zinc/00/71/43/1033007143.db2.gz NJGLEOFJSHUVNB-HOTGVXAUSA-N -1 0 333.453 3.769 20 0 EHADRM Fc1cccc(CC2(N=c3[n-]nc(-c4ccccn4)s3)CCC2)c1 ZINC000519023326 1021776230 /nfs/dbraw/zinc/77/62/30/1021776230.db2.gz HPQQIHRPMDOFSJ-UHFFFAOYSA-N -1 0 340.427 3.738 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)[N-]S(=O)(=O)CCCF ZINC000080318625 1021791382 /nfs/dbraw/zinc/79/13/82/1021791382.db2.gz PWURTJIBNAVKCS-UHFFFAOYSA-N -1 0 345.461 3.739 20 0 EHADRM Cc1cc(NC(=O)CCC(=O)c2cccs2)cc(C(=O)[O-])c1C ZINC000439893148 1021794402 /nfs/dbraw/zinc/79/44/02/1021794402.db2.gz JRAZBRBDRSPPKF-UHFFFAOYSA-N -1 0 331.393 3.665 20 0 EHADRM CCSc1ccc(C(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000439930934 1021819685 /nfs/dbraw/zinc/81/96/85/1021819685.db2.gz IJGLSHDCNTURFI-QGZVFWFLSA-N -1 0 343.448 3.705 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2CCCC3(C2)CCCCCC3)s1 ZINC000437559231 1021941574 /nfs/dbraw/zinc/94/15/74/1021941574.db2.gz OBZSXKYTMZQAMW-UHFFFAOYSA-N -1 0 336.505 3.881 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cc(Br)ccc2Cl)CCC1 ZINC000312068718 1021943723 /nfs/dbraw/zinc/94/37/23/1021943723.db2.gz MHQTTXKLDOTDTL-UHFFFAOYSA-N -1 0 346.608 3.686 20 0 EHADRM CCSc1cccc(NC(=O)N=c2[n-]nc(CC(C)C)s2)c1 ZINC000506778683 1021995828 /nfs/dbraw/zinc/99/58/28/1021995828.db2.gz NVJUMMXRCCGNLH-UHFFFAOYSA-N -1 0 336.486 3.915 20 0 EHADRM CC(C)c1ccc(NC(=O)N[C@@H](CCOC(C)(C)C)C(=O)[O-])cc1 ZINC000517075149 1022007049 /nfs/dbraw/zinc/00/70/49/1022007049.db2.gz FKYHJUPSCCPVCB-HNNXBMFYSA-N -1 0 336.432 3.590 20 0 EHADRM CC(C)c1cnc(NC(=O)c2ccc(Br)cc2[O-])s1 ZINC000440221189 1022020009 /nfs/dbraw/zinc/02/00/09/1022020009.db2.gz XCVCYZWPLPUUFK-UHFFFAOYSA-N -1 0 341.230 3.987 20 0 EHADRM CSc1ccc(NC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1Cl ZINC000517145720 1022069422 /nfs/dbraw/zinc/06/94/22/1022069422.db2.gz QDJXALUCAWOXSL-ONGXEEELSA-N -1 0 342.848 3.636 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cc(C)c(F)cc2F)cc1Cl ZINC000440298152 1022075641 /nfs/dbraw/zinc/07/56/41/1022075641.db2.gz PHYLIYSNJIHTLR-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)nc1 ZINC000520280764 1022087532 /nfs/dbraw/zinc/08/75/32/1022087532.db2.gz ZBDPCAUSFNNUKM-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM CC(C)Oc1cccc([C@@H](C)N=c2[n-]nc(C3CCOCC3)s2)c1 ZINC000519430706 1022100407 /nfs/dbraw/zinc/10/04/07/1022100407.db2.gz AJALPUNXXAXSDF-CYBMUJFWSA-N -1 0 347.484 3.814 20 0 EHADRM COc1ccccc1Oc1ccc(NC(=O)[C@H](C(=O)[O-])C(C)C)cc1 ZINC000520408377 1022212864 /nfs/dbraw/zinc/21/28/64/1022212864.db2.gz HMDHEXVUIMAGTD-QGZVFWFLSA-N -1 0 343.379 3.783 20 0 EHADRM CC(C)(CN=c1[n-]nc(C2CC2)o1)c1ccc(Br)cc1 ZINC000341556456 1022311939 /nfs/dbraw/zinc/31/19/39/1022311939.db2.gz ZNFPJQQGCJEGMW-UHFFFAOYSA-N -1 0 336.233 3.521 20 0 EHADRM CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000438048929 1022349770 /nfs/dbraw/zinc/34/97/70/1022349770.db2.gz JMOQHWIOSVPSLG-HZPDHXFCSA-N -1 0 341.398 3.774 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)cc1C ZINC000655574524 1022386917 /nfs/dbraw/zinc/38/69/17/1022386917.db2.gz UGVWESHJOIFFKK-NSHDSACASA-N -1 0 341.864 3.925 20 0 EHADRM C[C@H](N=c1nc(-c2ccccc2)[n-]s1)c1nccn1-c1ccccc1 ZINC000517613914 1022502163 /nfs/dbraw/zinc/50/21/63/1022502163.db2.gz WHKCFJYYWXPYOB-AWEZNQCLSA-N -1 0 347.447 3.986 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1cnoc1-c1ccccc1 ZINC000188492222 1022610949 /nfs/dbraw/zinc/61/09/49/1022610949.db2.gz QYAQJMLXOOCTDP-UHFFFAOYSA-N -1 0 346.433 3.864 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(C(C)C)on2)c(Cl)cc1F ZINC000330998891 1022730100 /nfs/dbraw/zinc/73/01/00/1022730100.db2.gz VYLUOUKADQYNNM-UHFFFAOYSA-N -1 0 332.784 3.700 20 0 EHADRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(C)ccc2Cl)c1C ZINC000331099488 1022741338 /nfs/dbraw/zinc/74/13/38/1022741338.db2.gz NXKUWYDURWVLTQ-NSHDSACASA-N -1 0 341.864 3.925 20 0 EHADRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(C)c(C)s2)c1C ZINC000331112138 1022747345 /nfs/dbraw/zinc/74/73/45/1022747345.db2.gz TYUWLIFXTQXCBF-JTQLQIEISA-N -1 0 327.475 3.642 20 0 EHADRM Cc1ccc(O)c([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000089102754 1022874673 /nfs/dbraw/zinc/87/46/73/1022874673.db2.gz MOGKKNHASMBZEZ-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM Cc1nc(CNCc2cc(Cl)cc3cccnc32)sc1C(=O)[O-] ZINC000426672453 1022890362 /nfs/dbraw/zinc/89/03/62/1022890362.db2.gz RLEQITGCIHFBDR-UHFFFAOYSA-N -1 0 347.827 3.641 20 0 EHADRM Cc1ccsc1-c1nsc(N=C([O-])N2CCc3ccccc32)n1 ZINC000473827093 1022894729 /nfs/dbraw/zinc/89/47/29/1022894729.db2.gz GWHXZUORPXDJAL-UHFFFAOYSA-N -1 0 342.449 3.592 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N=c2nc(C(C)(C)C)[n-]s2)cc1 ZINC000426716085 1022980974 /nfs/dbraw/zinc/98/09/74/1022980974.db2.gz UYZKXAKPMCPPFO-NSHDSACASA-N -1 0 333.457 3.687 20 0 EHADRM Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc3ncccc3c2)c1O ZINC000438768112 1022982731 /nfs/dbraw/zinc/98/27/31/1022982731.db2.gz BNNCYWPMQYJMRI-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM CCc1nocc1CN(C)C(=O)c1c([O-])cc(Cl)cc1Cl ZINC000294161522 1022983463 /nfs/dbraw/zinc/98/34/63/1022983463.db2.gz PTINSGHCIMZOKS-UHFFFAOYSA-N -1 0 329.183 3.522 20 0 EHADRM Cc1ccc(C(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)c(O)c1 ZINC000518084316 1022990743 /nfs/dbraw/zinc/99/07/43/1022990743.db2.gz DZRLMDOWJJCMAZ-CABCVRRESA-N -1 0 346.224 3.749 20 0 EHADRM COc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000438785004 1022996503 /nfs/dbraw/zinc/99/65/03/1022996503.db2.gz JSTANJFNDQABRW-UHFFFAOYSA-N -1 0 347.436 3.643 20 0 EHADRM Cc1cccc([C@H](NCc2coc(-c3ccccc3)n2)C(=O)[O-])c1C ZINC000426734707 1023003428 /nfs/dbraw/zinc/00/34/28/1023003428.db2.gz AZVDNULQZNXJMO-SFHVURJKSA-N -1 0 336.391 3.874 20 0 EHADRM CC1([C@H]([NH2+]Cc2coc(-c3ccccc3)n2)C(=O)[O-])CCCCC1 ZINC000426744861 1023012694 /nfs/dbraw/zinc/01/26/94/1023012694.db2.gz DWFOZHLOWLGULK-MRXNPFEDSA-N -1 0 328.412 3.855 20 0 EHADRM O=C([O-])[C@H](NCc1coc(-c2ccccc2)n1)c1c(F)cccc1F ZINC000426747001 1023018255 /nfs/dbraw/zinc/01/82/55/1023018255.db2.gz MBYCFUNSVSVQCM-MRXNPFEDSA-N -1 0 344.317 3.535 20 0 EHADRM CO[C@H](C)c1nc(=Nc2cccc(Oc3ccccn3)c2)s[n-]1 ZINC000509549632 1023028994 /nfs/dbraw/zinc/02/89/94/1023028994.db2.gz REIMJCKBQCSWCF-LLVKDONJSA-N -1 0 328.397 3.598 20 0 EHADRM CC[C@H](Cc1ccc(Cl)cc1)N=c1nc([C@H](C)OC)[n-]s1 ZINC000509546396 1023038759 /nfs/dbraw/zinc/03/87/59/1023038759.db2.gz VQFMHHOZWSHICR-GXFFZTMASA-N -1 0 325.865 3.754 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NCc2coc(-c3ccccc3)n2)o1 ZINC000426794260 1023052480 /nfs/dbraw/zinc/05/24/80/1023052480.db2.gz QXFNSMGFYHSDCX-HNNXBMFYSA-N -1 0 326.352 3.549 20 0 EHADRM O=C([O-])[C@H](NCc1ccc(-c2ccncc2)cc1F)c1cccs1 ZINC000426803985 1023058057 /nfs/dbraw/zinc/05/80/57/1023058057.db2.gz QXNJTVOSDFOAHH-QGZVFWFLSA-N -1 0 342.395 3.865 20 0 EHADRM COc1cnccc1[C@H](C)NC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000189614161 1023062924 /nfs/dbraw/zinc/06/29/24/1023062924.db2.gz GIDGQAXSYHLZLD-QMMMGPOBSA-N -1 0 341.194 3.594 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cnc3ccccc3c2)cc1Cl ZINC000430981464 1023084570 /nfs/dbraw/zinc/08/45/70/1023084570.db2.gz JTBJKICLSWQLFI-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM O=S(=O)([N-]c1cccc(Cl)c1)c1c(F)c(F)cc(F)c1F ZINC000430985775 1023092004 /nfs/dbraw/zinc/09/20/04/1023092004.db2.gz YFUCDOPALDQEIE-UHFFFAOYSA-N -1 0 339.697 3.697 20 0 EHADRM CO[C@@H](C)c1nc(=NCCc2cccc(-c3ccccc3)c2)s[n-]1 ZINC000509588873 1023094655 /nfs/dbraw/zinc/09/46/55/1023094655.db2.gz YYBCDZAIMJZCGV-AWEZNQCLSA-N -1 0 339.464 3.989 20 0 EHADRM CC(C)C[C@H](C)n1nccc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000426885479 1023101179 /nfs/dbraw/zinc/10/11/79/1023101179.db2.gz BVAGFUPIJLCELB-VIFPVBQESA-N -1 0 341.333 3.865 20 0 EHADRM CC[C@H](C)c1ccc([C@H](NC(=O)N=c2[n-]ncs2)C(C)C)cc1 ZINC000518179829 1023107254 /nfs/dbraw/zinc/10/72/54/1023107254.db2.gz CCCXMDLHPSWAQK-SWLSCSKDSA-N -1 0 332.473 3.992 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N(C)Cc2ccc(C)cc2)n1 ZINC000438905723 1023138865 /nfs/dbraw/zinc/13/88/65/1023138865.db2.gz SLQBPLDFVJDECY-UHFFFAOYSA-N -1 0 349.434 3.721 20 0 EHADRM CC(C)c1ocnc1C(=O)[N-]c1nsc(Cc2ccc(F)cc2)n1 ZINC000891870071 1023159726 /nfs/dbraw/zinc/15/97/26/1023159726.db2.gz OJOKOBPJBWIMFN-UHFFFAOYSA-N -1 0 346.387 3.632 20 0 EHADRM CCOCc1n[n-]c(=NCc2c(Cl)cccc2SC(C)C)o1 ZINC000438932375 1023160758 /nfs/dbraw/zinc/16/07/58/1023160758.db2.gz QIFOSKRVXFNIAY-UHFFFAOYSA-N -1 0 341.864 3.794 20 0 EHADRM Cc1cc(-c2csc(NC(=O)c3ncc(C)cc3[O-])n2)c(C)o1 ZINC000427003720 1023162209 /nfs/dbraw/zinc/16/22/09/1023162209.db2.gz ZVKDFQVFZLXFKG-UHFFFAOYSA-N -1 0 329.381 3.681 20 0 EHADRM O=S(=O)([N-]c1noc2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000438986337 1023193389 /nfs/dbraw/zinc/19/33/89/1023193389.db2.gz QBGJCPNWLAWTIA-UHFFFAOYSA-N -1 0 343.191 3.935 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)s1 ZINC000439034727 1023226239 /nfs/dbraw/zinc/22/62/39/1023226239.db2.gz AJUCGDSODUDZAN-UHFFFAOYSA-N -1 0 335.454 3.723 20 0 EHADRM O=S(=O)([N-]c1nc2c(ccc3c2CCCC3)s1)c1ccccc1 ZINC000507303612 1023243470 /nfs/dbraw/zinc/24/34/70/1023243470.db2.gz LTSNFKODWDSODQ-UHFFFAOYSA-N -1 0 344.461 3.976 20 0 EHADRM CCCN(CC1CCCCC1)C(=O)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000471930702 1023306895 /nfs/dbraw/zinc/30/68/95/1023306895.db2.gz QEEJBYUUWAVMFD-UHFFFAOYSA-N -1 0 344.381 3.742 20 0 EHADRM CCSCc1ccnc([N-]S(=O)(=O)c2sccc2C)c1 ZINC000341784020 1023316443 /nfs/dbraw/zinc/31/64/43/1023316443.db2.gz WEFLPYGUIAJULD-UHFFFAOYSA-N -1 0 328.484 3.505 20 0 EHADRM CCCc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000063234178 1033126570 /nfs/dbraw/zinc/12/65/70/1033126570.db2.gz QOKFZVAKYPWCEF-UHFFFAOYSA-N -1 0 345.420 3.535 20 0 EHADRM Cn1ccnc1[C@H](N=c1nc(C2CCCC2)[n-]s1)c1ccccc1 ZINC000581996192 1023460023 /nfs/dbraw/zinc/46/00/23/1023460023.db2.gz BEMVQZWEXKYKHO-OAHLLOKOSA-N -1 0 339.468 3.553 20 0 EHADRM COc1ccc2cc(CN[C@H](C(=O)[O-])c3ccsc3)ccc2c1 ZINC000426785307 1023551867 /nfs/dbraw/zinc/55/18/67/1023551867.db2.gz WSWKYCSLHFZEFI-KRWDZBQOSA-N -1 0 327.405 3.825 20 0 EHADRM Cc1cc(COc2ccc(/C=C/c3ccncn3)cc2)oc1C(=O)[O-] ZINC000535747984 1023604431 /nfs/dbraw/zinc/60/44/31/1023604431.db2.gz AAFCWMIDAMILOL-GORDUTHDSA-N -1 0 336.347 3.826 20 0 EHADRM C[C@H](C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1)c1ccco1 ZINC000607482799 1033158573 /nfs/dbraw/zinc/15/85/73/1033158573.db2.gz SVXZWQNOUZAQIT-VIFPVBQESA-N -1 0 333.800 3.616 20 0 EHADRM Cc1nc(C[NH2+]Cc2ccc(SC(F)F)cc2)ccc1C(=O)[O-] ZINC000277123211 1023803295 /nfs/dbraw/zinc/80/32/95/1023803295.db2.gz BBTMVKNSLBOOEC-UHFFFAOYSA-N -1 0 338.379 3.693 20 0 EHADRM CC(C)c1nc2cc(NC(=O)Cc3cccc(C(=O)[O-])c3)ccc2o1 ZINC000537475440 1033164608 /nfs/dbraw/zinc/16/46/08/1033164608.db2.gz LZSRXCCTYJEJCI-UHFFFAOYSA-N -1 0 338.363 3.831 20 0 EHADRM CC(C)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccn2)cc1 ZINC000317779383 1023836787 /nfs/dbraw/zinc/83/67/87/1023836787.db2.gz VHZCAKUSNIMRST-UHFFFAOYSA-N -1 0 340.832 3.571 20 0 EHADRM C[C@@H]1CN(C(=O)N(c2ccccc2)c2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000277148579 1023864953 /nfs/dbraw/zinc/86/49/53/1023864953.db2.gz QZNKKEBQCHFZAQ-QAPCUYQASA-N -1 0 338.407 3.987 20 0 EHADRM COc1c(O)cccc1/C=C\c1nc2ccc(C(=O)[O-])cc2s1 ZINC000431558263 1033172829 /nfs/dbraw/zinc/17/28/29/1033172829.db2.gz RNHOFNDJNAOGEG-VURMDHGXSA-N -1 0 327.361 3.879 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cnc(-c2ccsc2)s1 ZINC000346025926 1023954513 /nfs/dbraw/zinc/95/45/13/1023954513.db2.gz XDZVAWOXRAYKCC-UHFFFAOYSA-N -1 0 338.454 3.635 20 0 EHADRM C[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)c1ccccc1-n1cccn1 ZINC000150899347 1023980373 /nfs/dbraw/zinc/98/03/73/1023980373.db2.gz QWCMKGRRRODXGB-GFCCVEGCSA-N -1 0 341.798 3.722 20 0 EHADRM CCOc1ccc(NC(=O)[C@](C)(CC(=O)[O-])c2ccsc2)cc1 ZINC000634814780 1024033036 /nfs/dbraw/zinc/03/30/36/1024033036.db2.gz KDPZPWDRBWHGHO-QGZVFWFLSA-N -1 0 333.409 3.518 20 0 EHADRM Cc1nc([C@H](C)NC(=O)c2ccc(C(C)C)cc2)sc1C(=O)[O-] ZINC000236624637 1024034369 /nfs/dbraw/zinc/03/43/69/1024034369.db2.gz OQVNBCCKUNKJOV-NSHDSACASA-N -1 0 332.425 3.764 20 0 EHADRM Cc1ccc([C@@H](NC(=O)CCc2ccccc2C(=O)[O-])C2CC2)cc1 ZINC000262188347 1024067417 /nfs/dbraw/zinc/06/74/17/1024067417.db2.gz NEUXTKZTVCHURW-HXUWFJFHSA-N -1 0 337.419 3.893 20 0 EHADRM CC(C)C[C@@H](C)OCCC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000191415372 1024084011 /nfs/dbraw/zinc/08/40/11/1024084011.db2.gz PECUGSGTEJVXBQ-HUUCEWRRSA-N -1 0 335.444 3.730 20 0 EHADRM CC(C)C[C@H](C)OCCC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000191415388 1024084601 /nfs/dbraw/zinc/08/46/01/1024084601.db2.gz PECUGSGTEJVXBQ-CABCVRRESA-N -1 0 335.444 3.730 20 0 EHADRM COc1cc(-c2nc(C(=O)[O-])c(C3CC3)s2)cnc1C(F)(F)F ZINC000657206618 1024128892 /nfs/dbraw/zinc/12/88/92/1024128892.db2.gz FAAMQRBVCQENAF-UHFFFAOYSA-N -1 0 344.314 3.808 20 0 EHADRM COc1ccc(CO)c(-c2cc(C)c(SCC(=O)[O-])cc2C)c1 ZINC000657207887 1024131255 /nfs/dbraw/zinc/13/12/55/1024131255.db2.gz JOLGHSCWGLNJOC-UHFFFAOYSA-N -1 0 332.421 3.648 20 0 EHADRM CC[C@@H](C)[C@H](NS(=O)(=O)c1cc(C)c(C)s1)C(F)(F)F ZINC000443946048 1024143441 /nfs/dbraw/zinc/14/34/41/1024143441.db2.gz XMODBULTFGNSAU-HQJQHLMTSA-N -1 0 329.409 3.620 20 0 EHADRM C[C@@H](CC(=O)[O-])c1ccc(NCc2cnc(C(C)(C)C)nc2)cc1 ZINC000417615386 1024161300 /nfs/dbraw/zinc/16/13/00/1024161300.db2.gz XHEXFJXFJXPBGG-ZDUSSCGKSA-N -1 0 327.428 3.964 20 0 EHADRM CCn1nc(CNc2ccc(C[C@@H](C)C(=O)[O-])cc2)c2ccccc21 ZINC000417609850 1024166695 /nfs/dbraw/zinc/16/66/95/1024166695.db2.gz LVUVLNVJZLLLES-CQSZACIVSA-N -1 0 337.423 3.932 20 0 EHADRM C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1cc(F)ccc1O ZINC000094130392 1024217526 /nfs/dbraw/zinc/21/75/26/1024217526.db2.gz YCOHQZXTBBSWPQ-DIFFPNOSSA-N -1 0 349.789 3.787 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)Nc1ccccc1OC1CCCC1 ZINC000262203220 1024230577 /nfs/dbraw/zinc/23/05/77/1024230577.db2.gz SIVPNVVYXHZFMC-UHFFFAOYSA-N -1 0 339.391 3.887 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1ccnc(NC2CCC2)c1 ZINC000909513374 1024255181 /nfs/dbraw/zinc/25/51/81/1024255181.db2.gz OEYLAQUPABZCJW-UHFFFAOYSA-N -1 0 339.395 3.613 20 0 EHADRM CC[C@H](CC(=O)NCC1(C(=O)[O-])CCCCC1)c1ccc(OC)cc1 ZINC000192920693 1024291688 /nfs/dbraw/zinc/29/16/88/1024291688.db2.gz WFMRRFAHJCVNNQ-OAHLLOKOSA-N -1 0 347.455 3.730 20 0 EHADRM CC[C@H](CC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000193095748 1024306251 /nfs/dbraw/zinc/30/62/51/1024306251.db2.gz YSAPPKQTDBCKAK-IIBYNOLFSA-N -1 0 339.435 3.729 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)[C@@H](C)c2ccccc2F)cc1)C(=O)[O-] ZINC000191433944 1024312314 /nfs/dbraw/zinc/31/23/14/1024312314.db2.gz MHZLFWAEUGISHL-STQMWFEESA-N -1 0 329.371 3.831 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@H]1CCCc2c(O)cccc21 ZINC000909516421 1024325340 /nfs/dbraw/zinc/32/53/40/1024325340.db2.gz MAIJEKGIIPDUCN-HNNXBMFYSA-N -1 0 339.391 3.766 20 0 EHADRM CCC[C@@H]1C[C@@H](C(=O)Nc2cc(Br)ccc2O)CCO1 ZINC000184134186 1024370632 /nfs/dbraw/zinc/37/06/32/1024370632.db2.gz PMKIKMPBBOAEDZ-CMPLNLGQSA-N -1 0 342.233 3.689 20 0 EHADRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1 ZINC000191539302 1024394984 /nfs/dbraw/zinc/39/49/84/1024394984.db2.gz XQIVWLAFFAQIGS-INIZCTEOSA-N -1 0 331.799 3.546 20 0 EHADRM CC(C)(C)c1nnc(NC(=O)c2cc(F)c([O-])c(Cl)c2)s1 ZINC000184302301 1024396179 /nfs/dbraw/zinc/39/61/79/1024396179.db2.gz KTNAISIGQOTIDA-UHFFFAOYSA-N -1 0 329.784 3.586 20 0 EHADRM O=C(NCCC[C@@H]1CCCCO1)c1c([O-])cc(Cl)cc1Cl ZINC000184346985 1024405024 /nfs/dbraw/zinc/40/50/24/1024405024.db2.gz KVASMBZDWDWUOX-NSHDSACASA-N -1 0 332.227 3.778 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000520679673 1024405884 /nfs/dbraw/zinc/40/58/84/1024405884.db2.gz MWKFNWHJHAVUPO-ZDUSSCGKSA-N -1 0 347.436 3.600 20 0 EHADRM O=C(NCCC[C@@H]1CCCCO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000184344612 1024413624 /nfs/dbraw/zinc/41/36/24/1024413624.db2.gz GTSHNFHBIXCGGC-JTQLQIEISA-N -1 0 332.227 3.778 20 0 EHADRM CCc1ccccc1C(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000434781599 1024418836 /nfs/dbraw/zinc/41/88/36/1024418836.db2.gz AHSAQBJDIWNGNH-OAHLLOKOSA-N -1 0 325.408 3.612 20 0 EHADRM Cc1csc(-c2cccc([N-]S(=O)(=O)c3cccs3)c2)n1 ZINC000102321027 1024423179 /nfs/dbraw/zinc/42/31/79/1024423179.db2.gz ISOCTQACXKBMEW-UHFFFAOYSA-N -1 0 336.463 3.981 20 0 EHADRM CC(C)(CC(=O)NCc1ccccc1Oc1cccc(F)c1)C(=O)[O-] ZINC000522386598 1024423438 /nfs/dbraw/zinc/42/34/38/1024423438.db2.gz BNMJHXOBVOEINR-UHFFFAOYSA-N -1 0 345.370 3.735 20 0 EHADRM CC(C)CN=c1[n-]nc(SCCO[C@@H]2CCCC[C@H]2C)s1 ZINC000514434808 1024467888 /nfs/dbraw/zinc/46/78/88/1024467888.db2.gz RVMSLKDNHKFIBR-CHWSQXEVSA-N -1 0 329.535 3.715 20 0 EHADRM CCc1c(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cnn1C(C)(C)C ZINC000262451537 1033214109 /nfs/dbraw/zinc/21/41/09/1033214109.db2.gz DUGXYJZRLGUTMI-UHFFFAOYSA-N -1 0 343.427 3.768 20 0 EHADRM CCn1nc(C)c(S(=O)(=O)[N-]c2ccccc2CCC(C)C)c1C ZINC000607614344 1033216606 /nfs/dbraw/zinc/21/66/06/1033216606.db2.gz ZIZVYFWSILTMTR-UHFFFAOYSA-N -1 0 349.500 3.909 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)[nH]n2)c(C)s1 ZINC000434969610 1024532443 /nfs/dbraw/zinc/53/24/43/1024532443.db2.gz ZPPWQOLSVDHKSL-UHFFFAOYSA-N -1 0 333.438 3.556 20 0 EHADRM CC(C)N(Cc1c([O-])nnn1-c1ccccc1)Cc1ccc(F)cc1 ZINC000346236478 1024552022 /nfs/dbraw/zinc/55/20/22/1024552022.db2.gz PLDAKQAVACNMDS-UHFFFAOYSA-N -1 0 340.402 3.523 20 0 EHADRM Cc1ccc2c(c1)C(=O)N(C)[C@@H](c1ccc(C(=O)[O-])cc1Cl)N2 ZINC000342255482 1024581719 /nfs/dbraw/zinc/58/17/19/1024581719.db2.gz YHLRAKZRGINXER-HNNXBMFYSA-N -1 0 330.771 3.543 20 0 EHADRM O=S(=O)(Cc1ccccc1F)[N-]c1noc2ccc(Cl)cc21 ZINC000427654422 1024686822 /nfs/dbraw/zinc/68/68/22/1024686822.db2.gz BWRWZGYJROJMKN-UHFFFAOYSA-N -1 0 340.763 3.562 20 0 EHADRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(F)cc2)c1C1CC1 ZINC000536497397 1024688683 /nfs/dbraw/zinc/68/86/83/1024688683.db2.gz LULPYHCMFOYKPP-LLVKDONJSA-N -1 0 337.420 3.671 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2ccccc2Cl)cc2cccnc21 ZINC000427655129 1024696176 /nfs/dbraw/zinc/69/61/76/1024696176.db2.gz QGZDXWKZSOKZJD-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(C)C)nc2)c(C)s1 ZINC000342279887 1024704710 /nfs/dbraw/zinc/70/47/10/1024704710.db2.gz NHHFSAMNQUTLOK-UHFFFAOYSA-N -1 0 340.470 3.596 20 0 EHADRM C[C@H]1CCC[C@H](CC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)C1 ZINC000427702808 1024743717 /nfs/dbraw/zinc/74/37/17/1024743717.db2.gz VSXBUPLYTGTZGT-UOVPBQLFSA-N -1 0 329.440 3.530 20 0 EHADRM CCc1ccc([C@H]2CCCCCN2C(=O)N=c2cc(C)c(C)n[n-]2)o1 ZINC000467460455 1024790771 /nfs/dbraw/zinc/79/07/71/1024790771.db2.gz XHKDGMZXFIATAI-MRXNPFEDSA-N -1 0 342.443 3.820 20 0 EHADRM COCCc1nc(=NCc2cccc(-c3ccc(C)cc3)c2)s[n-]1 ZINC000467432655 1024919172 /nfs/dbraw/zinc/91/91/72/1024919172.db2.gz DKPMHUKAOWFCGM-UHFFFAOYSA-N -1 0 339.464 3.736 20 0 EHADRM Cc1cc(Nc2cn3cc(Br)ccc3n2)cc(C(=O)[O-])c1 ZINC001211537644 1024947424 /nfs/dbraw/zinc/94/74/24/1024947424.db2.gz UBJRPYGGWZOBHC-UHFFFAOYSA-N -1 0 346.184 3.847 20 0 EHADRM CCN(C)[C@H](C(=O)Nc1cc(F)cc(Cl)c1[O-])c1ccccc1 ZINC000474435849 1024965743 /nfs/dbraw/zinc/96/57/43/1024965743.db2.gz BVGXUDCESPLDGW-HNNXBMFYSA-N -1 0 336.794 3.816 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])C1=Cc2cc(F)ccc2OC1 ZINC000474434132 1024967055 /nfs/dbraw/zinc/96/70/55/1024967055.db2.gz XJPAMEQBOBIGFC-UHFFFAOYSA-N -1 0 337.709 3.738 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cccc3n[nH]cc32)cc1 ZINC000071965827 1024972888 /nfs/dbraw/zinc/97/28/88/1024972888.db2.gz PFSNDOLXSFGECR-GFCCVEGCSA-N -1 0 329.425 3.877 20 0 EHADRM O=C(COc1ccc(Cl)cc1)Nc1cc(F)cc(Cl)c1[O-] ZINC000474440142 1024975113 /nfs/dbraw/zinc/97/51/13/1024975113.db2.gz QUKAMAZBTJENHT-UHFFFAOYSA-N -1 0 330.142 3.856 20 0 EHADRM CC(C)Oc1ccccc1C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000262762420 1033253839 /nfs/dbraw/zinc/25/38/39/1033253839.db2.gz KOAIWDSQZPOBCK-CQSZACIVSA-N -1 0 341.407 3.989 20 0 EHADRM CC(C)(C)c1n[n-]c(=N[C@H]2C[C@@H]2c2ccccc2OC(F)F)s1 ZINC000435573584 1025007099 /nfs/dbraw/zinc/00/70/99/1025007099.db2.gz IPSYTUZCVRXVGO-MNOVXSKESA-N -1 0 339.411 3.827 20 0 EHADRM CC(C)(C)c1nc(=N[C@H]2C[C@@H]2c2ccccc2OC(F)F)s[n-]1 ZINC000435593173 1025023833 /nfs/dbraw/zinc/02/38/33/1025023833.db2.gz PAHDDYMITORGIG-MNOVXSKESA-N -1 0 339.411 3.827 20 0 EHADRM COc1cccc([C@@H](N=c2[n-]nc(C)o2)c2ccccc2Cl)c1 ZINC000342354195 1025032429 /nfs/dbraw/zinc/03/24/29/1025032429.db2.gz YKSBTAWXSHLQGT-MRXNPFEDSA-N -1 0 329.787 3.663 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)C[C@@H](Cc1ccccc1)c1ccccc1 ZINC000262155620 1025092099 /nfs/dbraw/zinc/09/20/99/1025092099.db2.gz OGYADCZUHJJDQE-VQIMIIECSA-N -1 0 339.435 3.773 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)N(CC(=O)[O-])C2CCCCC2)c1C ZINC000684734068 1025093110 /nfs/dbraw/zinc/09/31/10/1025093110.db2.gz DSZYHLVAUQAOJY-HNNXBMFYSA-N -1 0 332.444 3.793 20 0 EHADRM C[C@@H](NC(=O)N(CC(=O)[O-])C1CCCCC1)[C@H](C)c1ccccc1 ZINC000684734109 1025094077 /nfs/dbraw/zinc/09/40/77/1025094077.db2.gz FBMVLUIULWEGQH-LSDHHAIUSA-N -1 0 332.444 3.608 20 0 EHADRM CCSc1nnc([N-]S(=O)(=O)c2cccc(C(C)C)c2)s1 ZINC000431344485 1025157828 /nfs/dbraw/zinc/15/78/28/1025157828.db2.gz MRXDVGXBSRZENQ-UHFFFAOYSA-N -1 0 343.499 3.574 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N2CC(C)(C)[C@H]2c2ccco2)s1 ZINC000639454154 1025173265 /nfs/dbraw/zinc/17/32/65/1025173265.db2.gz DZBDKGAZLVBAHI-CYBMUJFWSA-N -1 0 334.445 3.511 20 0 EHADRM O=C([O-])C1CCC(CC(=O)NCc2ccccc2OC2CCC2)CC1 ZINC000521049288 1025182874 /nfs/dbraw/zinc/18/28/74/1025182874.db2.gz SCHYJZCLVYBQLW-UHFFFAOYSA-N -1 0 345.439 3.515 20 0 EHADRM CCOc1ccc(NC(=O)N2CCCCC[C@@H]2C(=O)[O-])cc1Cl ZINC000684744549 1025198373 /nfs/dbraw/zinc/19/83/73/1025198373.db2.gz QDQSRCQXPWEWSL-CYBMUJFWSA-N -1 0 340.807 3.600 20 0 EHADRM O=C([O-])CN(Cc1ccccc1)C(=O)Nc1ccc(F)c(C2CC2)c1 ZINC000515428865 1025232132 /nfs/dbraw/zinc/23/21/32/1025232132.db2.gz HUUCSURHVSLQQN-UHFFFAOYSA-N -1 0 342.370 3.822 20 0 EHADRM O=C([O-])[C@H]1CCCCCN1C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000684749266 1025253317 /nfs/dbraw/zinc/25/33/17/1025253317.db2.gz LZIBKAFGQLVDDM-CQSZACIVSA-N -1 0 343.383 3.566 20 0 EHADRM C[C@@H](NC(=O)c1cc(Cl)ccc1Sc1ccccc1)C(=O)[O-] ZINC000190995066 1025294598 /nfs/dbraw/zinc/29/45/98/1025294598.db2.gz WNQRUNIANYGAMI-SNVBAGLBSA-N -1 0 335.812 3.694 20 0 EHADRM CCc1cc(NC(=O)N(CC(=O)[O-])Cc2ccc(F)cc2)ccc1C ZINC000582100317 1025298429 /nfs/dbraw/zinc/29/84/29/1025298429.db2.gz CSGNNHLFTCEJLS-UHFFFAOYSA-N -1 0 344.386 3.815 20 0 EHADRM COc1ccc(-c2n[n-]c(=NCc3cccc(Cl)c3F)o2)cc1 ZINC000436024091 1025308817 /nfs/dbraw/zinc/30/88/17/1025308817.db2.gz HYZFAJIZVXGPSC-UHFFFAOYSA-N -1 0 333.750 3.572 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1ccccc1SC ZINC000436015055 1025316660 /nfs/dbraw/zinc/31/66/60/1025316660.db2.gz GXNAOIHCSHENII-UHFFFAOYSA-N -1 0 337.466 3.998 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(Cl)cc3cccnc32)cc1 ZINC000346982404 1025381748 /nfs/dbraw/zinc/38/17/48/1025381748.db2.gz RJSWJPCPSDBOCE-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000013464587 1025397893 /nfs/dbraw/zinc/39/78/93/1025397893.db2.gz GUCQWHQHNLQUDR-UHFFFAOYSA-N -1 0 347.436 3.792 20 0 EHADRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000515630811 1025423325 /nfs/dbraw/zinc/42/33/25/1025423325.db2.gz LBECBTLMKUYWJG-UHFFFAOYSA-N -1 0 343.807 3.987 20 0 EHADRM Clc1cc(Cl)cc(-c2n[n-]c(=NCC3CCOCC3)s2)c1 ZINC000444090041 1025456141 /nfs/dbraw/zinc/45/61/41/1025456141.db2.gz XDEQVMDMJIGPFO-UHFFFAOYSA-N -1 0 344.267 3.772 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cscc2C(F)F)C1 ZINC000909488419 1025456601 /nfs/dbraw/zinc/45/66/01/1025456601.db2.gz RIXMIJRLIGZTLE-SECBINFHSA-N -1 0 331.384 3.649 20 0 EHADRM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(C)c(C)c1 ZINC000342436681 1025460812 /nfs/dbraw/zinc/46/08/12/1025460812.db2.gz MMPNJNSOOBDHAG-UHFFFAOYSA-N -1 0 335.473 3.574 20 0 EHADRM Cc1onc([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c1C ZINC000451051336 1025471476 /nfs/dbraw/zinc/47/14/76/1025471476.db2.gz UVDQIQHFSGVERS-UHFFFAOYSA-N -1 0 335.212 3.540 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2sc(-c3ccccc3)nc2C)o1 ZINC000342438773 1025475115 /nfs/dbraw/zinc/47/51/15/1025475115.db2.gz PLZMCPDWBWDCPD-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM CCCCc1cnc([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)nc1 ZINC000451096169 1025512368 /nfs/dbraw/zinc/51/23/68/1025512368.db2.gz ASPAPKMAPJOKCF-UHFFFAOYSA-N -1 0 349.387 3.505 20 0 EHADRM C[C@H](CC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000262385829 1025518622 /nfs/dbraw/zinc/51/86/22/1025518622.db2.gz MBMQUENVQXJNSQ-WNOSKKOXSA-N -1 0 333.403 3.564 20 0 EHADRM CC1(C)CC[C@H](NC(=O)CC2(C(=O)[O-])CCCC2)c2ccccc21 ZINC000347112346 1025519144 /nfs/dbraw/zinc/51/91/44/1025519144.db2.gz ZIIDIBPMIIGFLJ-INIZCTEOSA-N -1 0 329.440 3.950 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1c1ncnc2scc(-c3ccccc3)c21 ZINC000392024230 1025540319 /nfs/dbraw/zinc/54/03/19/1025540319.db2.gz VOESQCBLKFUETO-YPMHNXCESA-N -1 0 339.420 3.658 20 0 EHADRM CC(C)c1ncsc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000451109988 1025544981 /nfs/dbraw/zinc/54/49/81/1025544981.db2.gz XILKDDOMDGLGMS-UHFFFAOYSA-N -1 0 334.825 3.860 20 0 EHADRM CC(C)c1ncsc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000451101334 1025559873 /nfs/dbraw/zinc/55/98/73/1025559873.db2.gz BPUKLMQXVYOVLG-UHFFFAOYSA-N -1 0 334.825 3.860 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2scnc2C(C)C)c(C)c1 ZINC000451101867 1025562082 /nfs/dbraw/zinc/56/20/82/1025562082.db2.gz GTSBBVFNSZLGBQ-UHFFFAOYSA-N -1 0 340.470 3.774 20 0 EHADRM Clc1cc(Cl)cc(-c2n[n-]c(=NCc3ccccn3)s2)c1 ZINC000444109527 1025609206 /nfs/dbraw/zinc/60/92/06/1025609206.db2.gz GMRYUAASYVWDDY-UHFFFAOYSA-N -1 0 337.235 3.941 20 0 EHADRM CSc1ccc(NC(=O)N2CC[C@H](C)C[C@H]2C(=O)[O-])cc1Cl ZINC000582219341 1025623158 /nfs/dbraw/zinc/62/31/58/1025623158.db2.gz KVRRESHSVRVDMU-CABZTGNLSA-N -1 0 342.848 3.779 20 0 EHADRM Clc1ccc(CN=c2[n-]nc([C@H]3CCCO3)s2)cc1Cl ZINC000630961578 1025685560 /nfs/dbraw/zinc/68/55/60/1025685560.db2.gz RGKPDSHNHJNSKP-LLVKDONJSA-N -1 0 330.240 3.730 20 0 EHADRM FC(F)c1ccc(CN=c2[n-]nc(CCOc3ccccc3)o2)cc1 ZINC000530369565 1025691833 /nfs/dbraw/zinc/69/18/33/1025691833.db2.gz SFCMIPHTOIPWPC-UHFFFAOYSA-N -1 0 345.349 3.663 20 0 EHADRM CC(C)c1ccccc1OCC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000392296190 1025695570 /nfs/dbraw/zinc/69/55/70/1025695570.db2.gz SRWJTLZKNSLJRQ-UHFFFAOYSA-N -1 0 341.407 3.546 20 0 EHADRM CCOc1ccncc1S(=O)(=O)[N-]c1ccc(C(C)(C)C)cc1 ZINC000436477950 1025755557 /nfs/dbraw/zinc/75/55/57/1025755557.db2.gz JSUIJJGUZVQMSQ-UHFFFAOYSA-N -1 0 334.441 3.579 20 0 EHADRM CCCC[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000347256090 1025762535 /nfs/dbraw/zinc/76/25/35/1025762535.db2.gz FGHJPNUJSHHQTK-OBJOEFQTSA-N -1 0 344.238 3.857 20 0 EHADRM C[C@H](c1ccc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])cc1)C(F)(F)F ZINC000909497286 1025781511 /nfs/dbraw/zinc/78/15/11/1025781511.db2.gz CTDDKVDGQNNCOA-BXUZGUMPSA-N -1 0 343.345 3.822 20 0 EHADRM COC(=O)c1ccc(O)c(NC(=O)[C@H](C)Cc2ccc(Cl)cc2)c1 ZINC000436507582 1025798465 /nfs/dbraw/zinc/79/84/65/1025798465.db2.gz WYOSPWMYJKJULM-LLVKDONJSA-N -1 0 347.798 3.650 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N=c3nc(-c4ccccc4)[n-]s3)cc2c1C ZINC000522851893 1025802943 /nfs/dbraw/zinc/80/29/43/1025802943.db2.gz XSCIKYGKOFDAIB-UHFFFAOYSA-N -1 0 348.431 3.977 20 0 EHADRM COC(=O)c1ccc(O)c(NC(=O)C[C@@H](C)c2ccc(F)cc2F)c1 ZINC000436511489 1025805929 /nfs/dbraw/zinc/80/59/29/1025805929.db2.gz WRZCIQVLFASZSQ-SNVBAGLBSA-N -1 0 349.333 3.589 20 0 EHADRM Cc1ccccc1C[C@@H]1CCCN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000436521112 1025822690 /nfs/dbraw/zinc/82/26/90/1025822690.db2.gz BWEFVIVWPGRNMF-HNNXBMFYSA-N -1 0 331.362 3.826 20 0 EHADRM C[C@H]1C[C@@]1(NC(=O)c1cc(F)c([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000436521012 1025824169 /nfs/dbraw/zinc/82/41/69/1025824169.db2.gz YREVYYXWBVQVSH-XYZCENFISA-N -1 0 337.753 3.989 20 0 EHADRM COc1cccc(N(CC(C)C)C(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000436531487 1025837800 /nfs/dbraw/zinc/83/78/00/1025837800.db2.gz CXDYVVMDIRVKLY-UHFFFAOYSA-N -1 0 335.350 3.982 20 0 EHADRM CCC(C)(C)CC(=O)[N-]S(=O)(=O)CCSc1ccccc1 ZINC000075038767 1025845280 /nfs/dbraw/zinc/84/52/80/1025845280.db2.gz UZMJLNLZIMCDBC-UHFFFAOYSA-N -1 0 329.487 3.891 20 0 EHADRM COC(=O)c1ccc(O)c(NC(=O)CCCc2cc(C)sc2C)c1 ZINC000436517428 1025848145 /nfs/dbraw/zinc/84/81/45/1025848145.db2.gz ZQYGHPAQHOTJBX-UHFFFAOYSA-N -1 0 347.436 3.819 20 0 EHADRM O=C(Nc1nc2c(s1)CSCC2)c1cc(Cl)ccc1[O-] ZINC000436554728 1025858668 /nfs/dbraw/zinc/85/86/68/1025858668.db2.gz IKTCTGUGMCKRQH-UHFFFAOYSA-N -1 0 326.830 3.544 20 0 EHADRM CC(C)[C@H]1CN(C(=O)c2c([O-])cc(Cl)cc2Cl)CCS1 ZINC000436571766 1025903342 /nfs/dbraw/zinc/90/33/42/1025903342.db2.gz DSYPNHURODNJJC-GFCCVEGCSA-N -1 0 334.268 3.913 20 0 EHADRM O=C(N[C@H]1CCCc2c[nH]nc21)c1cc(Cl)c2ccccc2c1[O-] ZINC000436596866 1025914067 /nfs/dbraw/zinc/91/40/67/1025914067.db2.gz NYUKZJGQNWSDEY-HNNXBMFYSA-N -1 0 341.798 3.729 20 0 EHADRM CC(C)c1nc(=N[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)s[n-]1 ZINC000530483196 1025918336 /nfs/dbraw/zinc/91/83/36/1025918336.db2.gz NEAHLKOGVNUUQS-NWDGAFQWSA-N -1 0 325.384 3.653 20 0 EHADRM CCC[C@H](CC)[S@](=O)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000582345086 1025921651 /nfs/dbraw/zinc/92/16/51/1025921651.db2.gz PQTDAKBJVDXLHG-JMERFSKESA-N -1 0 347.274 3.902 20 0 EHADRM Cc1cnc(C(C)(C)NC(=O)c2cc3ccccc3cc2O)s1 ZINC000436587143 1025926994 /nfs/dbraw/zinc/92/69/94/1025926994.db2.gz VRCLYEXSKODUOG-UHFFFAOYSA-N -1 0 326.421 3.975 20 0 EHADRM CCCNc1ccc(CNC(=O)c2cc(F)c([O-])c(Cl)c2)cc1 ZINC000436604910 1025934922 /nfs/dbraw/zinc/93/49/22/1025934922.db2.gz ONXDDMJSIUKXDF-UHFFFAOYSA-N -1 0 336.794 3.937 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)Nc2ccc(O)cc2C)s[n-]1 ZINC000443364825 1025961017 /nfs/dbraw/zinc/96/10/17/1025961017.db2.gz BIEPXHTZWVYPAM-UHFFFAOYSA-N -1 0 346.437 3.655 20 0 EHADRM CCCN(C(=O)c1cc(F)c([O-])c(F)c1)[C@H]1C[C@H](OCC)C1(C)C ZINC000436633205 1025961505 /nfs/dbraw/zinc/96/15/05/1025961505.db2.gz GDAJWPLUSPOHLT-GJZGRUSLSA-N -1 0 341.398 3.726 20 0 EHADRM CCCC(=O)Nc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1C ZINC000634819066 1025964499 /nfs/dbraw/zinc/96/44/99/1025964499.db2.gz FZBJPORWGLTQIJ-KGLIPLIRSA-N -1 0 346.427 3.563 20 0 EHADRM O=C(Nc1ccc(-n2cccn2)cc1)c1cc(F)cc(Cl)c1[O-] ZINC000436639092 1025966889 /nfs/dbraw/zinc/96/68/89/1025966889.db2.gz MYSVHSSXSYALHI-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436621447 1025971656 /nfs/dbraw/zinc/97/16/56/1025971656.db2.gz DITNXGFAKJEYHU-XCBNKYQSSA-N -1 0 339.716 3.988 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(F)cc3cccnc32)c1 ZINC000436649477 1025975155 /nfs/dbraw/zinc/97/51/55/1025975155.db2.gz WPZRPZDZSLSWRF-UHFFFAOYSA-N -1 0 338.338 3.925 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)Cc2c(C)[nH]c3ccccc32)c1 ZINC000436653608 1025980655 /nfs/dbraw/zinc/98/06/55/1025980655.db2.gz BGAYLHVLYLULQB-UHFFFAOYSA-N -1 0 336.391 3.956 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cnc(C(C)(C)C)s2)c1 ZINC000436652715 1025981591 /nfs/dbraw/zinc/98/15/91/1025981591.db2.gz QAPMIGOYETWTGR-UHFFFAOYSA-N -1 0 332.425 3.991 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(C)c(OC)c(C)c2)c1 ZINC000436653407 1025983528 /nfs/dbraw/zinc/98/35/28/1025983528.db2.gz UZSBBJGDYQSNPO-UHFFFAOYSA-N -1 0 327.380 3.863 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2oc(CC(C)C)nc2C)c1 ZINC000436655316 1025986709 /nfs/dbraw/zinc/98/67/09/1025986709.db2.gz FXBCWPBOTJNQGA-UHFFFAOYSA-N -1 0 330.384 3.732 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C2(c3ccc(F)cc3)CC2)c1 ZINC000436642619 1025988431 /nfs/dbraw/zinc/98/84/31/1025988431.db2.gz BTEMPKQFTHHFKG-UHFFFAOYSA-N -1 0 327.355 3.794 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccc(Br)cc2)c1 ZINC000436645943 1025995732 /nfs/dbraw/zinc/99/57/32/1025995732.db2.gz NDYXKDSLZXODPB-UHFFFAOYSA-N -1 0 348.196 4.000 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccc(Cl)cc2OC)c1 ZINC000436646906 1025995837 /nfs/dbraw/zinc/99/58/37/1025995837.db2.gz IGNHVVKRQSFRPU-UHFFFAOYSA-N -1 0 333.771 3.899 20 0 EHADRM COc1cc(CN=c2[n-]c(C(C)C)no2)ccc1OCCC(C)C ZINC000522966922 1026009739 /nfs/dbraw/zinc/00/97/39/1026009739.db2.gz JFIPAXAZXWRARS-UHFFFAOYSA-N -1 0 333.432 3.661 20 0 EHADRM CC1(S(=O)(=O)[N-][C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)CC1 ZINC000451469828 1026016284 /nfs/dbraw/zinc/01/62/84/1026016284.db2.gz MSSBOXZCBKORMX-JTQLQIEISA-N -1 0 345.745 3.554 20 0 EHADRM CC(C)(C)Oc1cccc(CNC(=O)c2ccc([O-])c(Cl)c2)n1 ZINC000436674747 1026016257 /nfs/dbraw/zinc/01/62/57/1026016257.db2.gz IZKXAIBZEUTEJG-UHFFFAOYSA-N -1 0 334.803 3.548 20 0 EHADRM CC(C)c1cccnc1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000443420111 1026019185 /nfs/dbraw/zinc/01/91/85/1026019185.db2.gz SWKBLHDBTRBFFG-UHFFFAOYSA-N -1 0 342.367 3.607 20 0 EHADRM O=C(NCCCOC(F)F)c1cc(Cl)c2ccccc2c1[O-] ZINC000436662937 1026024322 /nfs/dbraw/zinc/02/43/22/1026024322.db2.gz FFFUXHYSPSSNFB-UHFFFAOYSA-N -1 0 329.730 3.558 20 0 EHADRM O=C(NC[C@@H](c1ccccc1)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000436682373 1026036649 /nfs/dbraw/zinc/03/66/49/1026036649.db2.gz VITRVLXDTKNBTG-ZDUSSCGKSA-N -1 0 327.277 3.607 20 0 EHADRM CCC(CC)(NC(=O)c1ccc(OC2CCC2)cc1Cl)C(=O)[O-] ZINC000342517896 1026037262 /nfs/dbraw/zinc/03/72/62/1026037262.db2.gz CQRCAQZKTHWEJK-UHFFFAOYSA-N -1 0 339.819 3.645 20 0 EHADRM CO[C@@H](C)c1nc(=NC(=O)c2ccc(C)c(Cl)c2Cl)s[n-]1 ZINC000451498111 1026043788 /nfs/dbraw/zinc/04/37/88/1026043788.db2.gz NKBARHBLZLGBQX-ZETCQYMHSA-N -1 0 346.239 3.535 20 0 EHADRM COc1cc2nc(C)sc2cc1NC(=O)CC1(CC(=O)[O-])CCC1 ZINC000634820049 1026044899 /nfs/dbraw/zinc/04/48/99/1026044899.db2.gz JOSJLXHLTOGPPE-UHFFFAOYSA-N -1 0 348.424 3.587 20 0 EHADRM O=C(c1cc(Cc2ccccc2)ccc1O)N1CCC[C@@H]1C(F)F ZINC000436694782 1026053488 /nfs/dbraw/zinc/05/34/88/1026053488.db2.gz CPCBUQKBJLPNNH-MRXNPFEDSA-N -1 0 331.362 3.853 20 0 EHADRM CC[C@](C)(CC(=O)[O-])C(=O)Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000634820300 1026071254 /nfs/dbraw/zinc/07/12/54/1026071254.db2.gz PWBKQZDGQGHGCU-CQSZACIVSA-N -1 0 334.199 3.832 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)c2ccc(C(C)(F)F)cc2)s1 ZINC000431395793 1026079591 /nfs/dbraw/zinc/07/95/91/1026079591.db2.gz HCHQHFQEDDECDE-UHFFFAOYSA-N -1 0 325.384 3.667 20 0 EHADRM CC[C@@H](c1ccccc1OC)N(C)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000436736825 1026101262 /nfs/dbraw/zinc/10/12/62/1026101262.db2.gz HKKZSLFDLVULJB-HNNXBMFYSA-N -1 0 335.350 3.902 20 0 EHADRM CC1(C)[C@H](Oc2ccccc2)C[C@@H]1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000436738085 1026105330 /nfs/dbraw/zinc/10/53/30/1026105330.db2.gz KYIBNDXTVVUYPA-JKSUJKDBSA-N -1 0 347.361 3.646 20 0 EHADRM C[C@H](NC(=O)N=c1[n-]nc(C(C)(C)C)s1)c1cc2ccccc2o1 ZINC000436744275 1026114644 /nfs/dbraw/zinc/11/46/44/1026114644.db2.gz LASWWNZXQWHCKV-JTQLQIEISA-N -1 0 344.440 3.886 20 0 EHADRM O=S(=O)([N-]c1nc2c(s1)CCCC2)c1cc(F)ccc1Cl ZINC000127577260 1026127202 /nfs/dbraw/zinc/12/72/02/1026127202.db2.gz HOJBDGVNGFFDTC-UHFFFAOYSA-N -1 0 346.836 3.615 20 0 EHADRM COC1CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])CC1 ZINC000436758695 1026128039 /nfs/dbraw/zinc/12/80/39/1026128039.db2.gz NGVLQRWLBWWFDS-UHFFFAOYSA-N -1 0 345.826 3.964 20 0 EHADRM O=C(c1c([O-])cc(Cl)cc1Cl)N1CCc2sccc2C1 ZINC000436752780 1026141145 /nfs/dbraw/zinc/14/11/45/1026141145.db2.gz CEHWWQTYNDOFFN-UHFFFAOYSA-N -1 0 328.220 3.959 20 0 EHADRM COc1cccc(CN(C)C(=O)c2c([O-])cc(Cl)cc2Cl)c1 ZINC000436754723 1026143745 /nfs/dbraw/zinc/14/37/45/1026143745.db2.gz JRWVYIDNWGKUMG-UHFFFAOYSA-N -1 0 340.206 3.980 20 0 EHADRM Cc1cn(-c2ccccc2)nc1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000436771400 1026148756 /nfs/dbraw/zinc/14/87/56/1026148756.db2.gz VCEPKHQIBAXFFQ-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM COC(=O)c1ccc(CN(C)C(=O)c2cc3ccccc3cc2O)cc1 ZINC000030210579 1026153009 /nfs/dbraw/zinc/15/30/09/1026153009.db2.gz KYVIUBDTQQTHFM-UHFFFAOYSA-N -1 0 349.386 3.604 20 0 EHADRM CCC(CC)(NC(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000342542969 1026200531 /nfs/dbraw/zinc/20/05/31/1026200531.db2.gz HTWWFWJOBDOTPU-CHWSQXEVSA-N -1 0 343.345 3.569 20 0 EHADRM O=C(NCCc1cc2ccccc2[nH]1)c1ccc(C(F)(F)F)c(O)c1 ZINC000684877817 1026300204 /nfs/dbraw/zinc/30/02/04/1026300204.db2.gz YJZJBTIHBNULNM-UHFFFAOYSA-N -1 0 348.324 3.865 20 0 EHADRM Cc1ccc(O[C@H](C)C(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)cc1 ZINC000324832020 1026340573 /nfs/dbraw/zinc/34/05/73/1026340573.db2.gz ZEIQYRBDQQAUHR-CQSZACIVSA-N -1 0 327.380 3.716 20 0 EHADRM CCC(C)(C)N(C)C(=O)N(CCCC(=O)[O-])Cc1cccc(F)c1 ZINC000684895586 1026447733 /nfs/dbraw/zinc/44/77/33/1026447733.db2.gz DJKGESHIWUYAAJ-UHFFFAOYSA-N -1 0 338.423 3.733 20 0 EHADRM CC(C)c1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])s1 ZINC000192858875 1026496397 /nfs/dbraw/zinc/49/63/97/1026496397.db2.gz ZYYIQGJSLOJRMX-AWEZNQCLSA-N -1 0 329.421 3.523 20 0 EHADRM C[C@@H](NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC000325023182 1026524230 /nfs/dbraw/zinc/52/42/30/1026524230.db2.gz GOVYSONWFOOKLN-YJYMSZOUSA-N -1 0 345.826 3.950 20 0 EHADRM CCN(C(=O)CC1(C(=O)[O-])CCC1)[C@H](C)c1cc2ccccc2o1 ZINC000262499685 1026754853 /nfs/dbraw/zinc/75/48/53/1026754853.db2.gz KNBPCAJWYXBTAN-CYBMUJFWSA-N -1 0 329.396 3.987 20 0 EHADRM C[C@@H]([N-]c1nc(-c2cccc(Cl)c2)no1)c1nnc2ccccn21 ZINC000301557529 1026852314 /nfs/dbraw/zinc/85/23/14/1026852314.db2.gz WZUYOXFYHFYIKD-SNVBAGLBSA-N -1 0 340.774 3.606 20 0 EHADRM CN(CC(C)(C)C)C(=O)N1C[C@H](CC(=O)[O-])Sc2ccccc21 ZINC000558692954 1026863112 /nfs/dbraw/zinc/86/31/12/1026863112.db2.gz ARXSUUOLXOSISW-LBPRGKRZSA-N -1 0 336.457 3.540 20 0 EHADRM CC(C)OC1CCN(C(=O)c2c([O-])cc(Cl)cc2Cl)CC1 ZINC000531429413 1026901852 /nfs/dbraw/zinc/90/18/52/1026901852.db2.gz FHLQYZIQOVHDIV-UHFFFAOYSA-N -1 0 332.227 3.729 20 0 EHADRM COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000531600170 1027093344 /nfs/dbraw/zinc/09/33/44/1027093344.db2.gz LJKGZMJLSHVACV-UHFFFAOYSA-N -1 0 339.319 3.520 20 0 EHADRM Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000126945298 1027256483 /nfs/dbraw/zinc/25/64/83/1027256483.db2.gz SWQRAPBDSLCSGV-UHFFFAOYSA-N -1 0 344.795 3.762 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cc(C(C)(C)C)on1 ZINC000414441986 1027354959 /nfs/dbraw/zinc/35/49/59/1027354959.db2.gz KMEVWKKXIMPKPU-UHFFFAOYSA-N -1 0 328.821 3.735 20 0 EHADRM CCCc1cnc([N-]S(=O)(=O)c2ccc(Cl)c(OC)c2)s1 ZINC000414447074 1027409883 /nfs/dbraw/zinc/40/98/83/1027409883.db2.gz WFIZAAOJVXOJFG-UHFFFAOYSA-N -1 0 346.861 3.558 20 0 EHADRM Cc1ccnc(C)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000414451508 1027481795 /nfs/dbraw/zinc/48/17/95/1027481795.db2.gz KAHNDICQNXSFKS-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM CCS[C@H](C(=O)N=c1nc(-c2sccc2C)[n-]s1)C(C)C ZINC000472260446 1027713844 /nfs/dbraw/zinc/71/38/44/1027713844.db2.gz HXQAEIYGGUQWRZ-JTQLQIEISA-N -1 0 341.527 3.713 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)CC1(C(=O)[O-])CCC1 ZINC000262531533 1027757114 /nfs/dbraw/zinc/75/71/14/1027757114.db2.gz PRQXEZBYHZGAQP-STQMWFEESA-N -1 0 337.847 3.935 20 0 EHADRM Cc1ccc(-c2noc(-c3ccc(N(C)CC(=O)[O-])cc3)n2)c(C)c1 ZINC001211942891 1027774378 /nfs/dbraw/zinc/77/43/78/1027774378.db2.gz VGUKOTGJZBYNSR-UHFFFAOYSA-N -1 0 337.379 3.541 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)/C=C\c1ccccc1Cl ZINC000320644636 1027788026 /nfs/dbraw/zinc/78/80/26/1027788026.db2.gz IRWBYDSVZOUDGZ-FMSMRFJGSA-N -1 0 333.815 3.598 20 0 EHADRM CCCOc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2C)c1 ZINC000320668461 1027827313 /nfs/dbraw/zinc/82/73/13/1027827313.db2.gz JBNCKFADKVQIFZ-UHFFFAOYSA-N -1 0 340.832 3.633 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N2CC3(CCC3)[C@H]2c2ccco2)s1 ZINC000454246379 1027832034 /nfs/dbraw/zinc/83/20/34/1027832034.db2.gz SKECWFLGAUSZBQ-CQSZACIVSA-N -1 0 346.456 3.655 20 0 EHADRM CC(C)c1cnc([N-]S(=O)(=O)c2cnc3ccccc3c2)s1 ZINC000430067896 1028095100 /nfs/dbraw/zinc/09/51/00/1028095100.db2.gz DVHAWRWNIWXLLV-UHFFFAOYSA-N -1 0 333.438 3.616 20 0 EHADRM Cc1ccc(CNC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)c(C)c1 ZINC000523297785 1028119076 /nfs/dbraw/zinc/11/90/76/1028119076.db2.gz ODFCRKMTLFSAHT-HXUWFJFHSA-N -1 0 331.456 3.981 20 0 EHADRM COc1nccc(Nc2cccc(O)c2Br)c1Cl ZINC001211955511 1028137300 /nfs/dbraw/zinc/13/73/00/1028137300.db2.gz FIIOJAVJHMVHAZ-UHFFFAOYSA-N -1 0 329.581 3.955 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(C)n(C(C)C)n2)sc1Cl ZINC000421184273 1028160859 /nfs/dbraw/zinc/16/08/59/1028160859.db2.gz PBCYWPYUTRRDFK-UHFFFAOYSA-N -1 0 333.866 3.597 20 0 EHADRM CCOc1cc([N-]S(=O)(=O)c2ccccc2Cl)ccc1OC ZINC000055631822 1028281381 /nfs/dbraw/zinc/28/13/81/1028281381.db2.gz MNXWILRTKPLAAR-UHFFFAOYSA-N -1 0 341.816 3.548 20 0 EHADRM CC(C)[C@H]1CCCN(C(=O)N=c2[n-]nc(/C=C\c3ccco3)s2)C1 ZINC000444871250 1028350052 /nfs/dbraw/zinc/35/00/52/1028350052.db2.gz IPNLHKAQBAJPRX-WSROAFLRSA-N -1 0 346.456 3.623 20 0 EHADRM Cc1cccc(NC(=O)Cc2noc(-c3cc(Cl)ccc3[O-])n2)c1 ZINC000445326646 1028392568 /nfs/dbraw/zinc/39/25/68/1028392568.db2.gz YSHZVLFYCYKDTQ-UHFFFAOYSA-N -1 0 343.770 3.585 20 0 EHADRM COCCOc1cccc(-c2ccc(S[C@@H](C)C(=O)[O-])cc2)c1 ZINC000582975280 1028421094 /nfs/dbraw/zinc/42/10/94/1028421094.db2.gz LDUFRMPDOONSGH-ZDUSSCGKSA-N -1 0 332.421 3.944 20 0 EHADRM C[C@](CC(=O)NCc1ccc(Cl)cc1F)(C(=O)[O-])c1ccccc1 ZINC000487508311 1028432863 /nfs/dbraw/zinc/43/28/63/1028432863.db2.gz YDSKRYJHNYGPSZ-GOSISDBHSA-N -1 0 349.789 3.528 20 0 EHADRM C[C@@H]1C[C@H](CC(F)(F)F)[C@@H](C)N1C(=O)c1ccc(C(=O)[O-])s1 ZINC000630322738 1028437340 /nfs/dbraw/zinc/43/73/40/1028437340.db2.gz VOKAQBBZBRBRAW-IWSPIJDZSA-N -1 0 335.347 3.638 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccc(-c2ccccc2F)o1 ZINC000237995339 1028558310 /nfs/dbraw/zinc/55/83/10/1028558310.db2.gz ZYRHUKIGFAETQD-CYBMUJFWSA-N -1 0 345.370 3.945 20 0 EHADRM Cc1cc(OCC(=O)N2CCCC[C@H]2CCC(=O)[O-])ccc1C(C)C ZINC000236669361 1028560538 /nfs/dbraw/zinc/56/05/38/1028560538.db2.gz LUXDLOSJZRQHHX-INIZCTEOSA-N -1 0 347.455 3.743 20 0 EHADRM CCN(C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1)[C@H]1CCCC[C@H]1C ZINC000237046435 1028617464 /nfs/dbraw/zinc/61/74/64/1028617464.db2.gz XULQYJPUUGNHGN-DYVFJYSZSA-N -1 0 347.455 3.808 20 0 EHADRM C[C@@H](C(=O)N(CC(=O)[O-])Cc1ccccc1)c1cc2ccccc2o1 ZINC000237448191 1028650346 /nfs/dbraw/zinc/65/03/46/1028650346.db2.gz ZQDCBOZRKXZPJT-CQSZACIVSA-N -1 0 337.375 3.650 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)cc1Cl ZINC000237603068 1028656634 /nfs/dbraw/zinc/65/66/34/1028656634.db2.gz ALMDJNFRFJMTBK-INIZCTEOSA-N -1 0 331.799 3.903 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1ccc2c(c1)CCCC2 ZINC000237615164 1028659252 /nfs/dbraw/zinc/65/92/52/1028659252.db2.gz HDYUPPBLLGNIOP-LJQANCHMSA-N -1 0 337.419 3.820 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)C/C=C/c1ccc(F)cc1 ZINC000237643522 1028660317 /nfs/dbraw/zinc/66/03/17/1028660317.db2.gz XBXWDZLBNQDOLT-JXTAAOLFSA-N -1 0 341.382 3.870 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)n1 ZINC000504530510 1028714571 /nfs/dbraw/zinc/71/45/71/1028714571.db2.gz VOTRSRKESXUHLP-UHFFFAOYSA-N -1 0 334.825 3.689 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)N2CCC[C@]3(CC=CCC3)C2)s[n-]1 ZINC000523925446 1028719839 /nfs/dbraw/zinc/71/98/39/1028719839.db2.gz ZAIOILJOGDSGOD-QGZVFWFLSA-N -1 0 334.489 3.612 20 0 EHADRM CO[C@H](C)c1nc(=Nc2ccc(Oc3cccnc3)c(C)c2)s[n-]1 ZINC000509677128 1028721293 /nfs/dbraw/zinc/72/12/93/1028721293.db2.gz FHKKZGWSTYQOPF-GFCCVEGCSA-N -1 0 342.424 3.907 20 0 EHADRM Cc1ccc(Cc2n[n-]c(=NC(=O)N(C)[C@@H]3CC[C@@H](C)C3)s2)cc1 ZINC000429736128 1028731563 /nfs/dbraw/zinc/73/15/63/1028731563.db2.gz GXNBEDMWFLDPAA-UKRRQHHQSA-N -1 0 344.484 3.512 20 0 EHADRM CCOCc1cccc([N-]S(=O)(=O)c2c(F)cc(C)cc2F)c1 ZINC000424059404 1028780620 /nfs/dbraw/zinc/78/06/20/1028780620.db2.gz BKSYDCZYMYGVMW-UHFFFAOYSA-N -1 0 341.379 3.611 20 0 EHADRM O=C(Nc1cc(Cl)cc(Br)c1[O-])[C@]12C[C@H]1CCC2 ZINC000421790825 1028799798 /nfs/dbraw/zinc/79/97/98/1028799798.db2.gz GHMLDWKDLMPYEA-FUXBKTLASA-N -1 0 330.609 3.937 20 0 EHADRM CC(C)c1ccc(-c2noc(CN3CCC[C@H](C)[C@@H]3C(=O)[O-])n2)cc1 ZINC000424257229 1028915567 /nfs/dbraw/zinc/91/55/67/1028915567.db2.gz BCCZFNWCIYSGCX-SUMWQHHRSA-N -1 0 343.427 3.545 20 0 EHADRM C[C@@H]1CN(C(=O)N=c2[n-]nc(-c3ccsc3)s2)c2ccccc21 ZINC000503017951 1028970142 /nfs/dbraw/zinc/97/01/42/1028970142.db2.gz ODJAILWTSGYWRR-SNVBAGLBSA-N -1 0 342.449 3.844 20 0 EHADRM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)NCCC(C)(C)C(=O)[O-])cc1 ZINC000424409791 1029055522 /nfs/dbraw/zinc/05/55/22/1029055522.db2.gz XYGJPAFMYYRCAE-IRXDYDNUSA-N -1 0 346.471 3.773 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N(C)C[C@@H](C)c2ccccc2)s1 ZINC000524306200 1029067958 /nfs/dbraw/zinc/06/79/58/1029067958.db2.gz SARDUYYANDLIQM-CQSZACIVSA-N -1 0 346.500 3.960 20 0 EHADRM Cc1ccccc1[C@H]1CCCN1C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000424424967 1029069585 /nfs/dbraw/zinc/06/95/85/1029069585.db2.gz PTCHJMUSAFGBHY-DOTOQJQBSA-N -1 0 332.444 3.588 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)C[C@@H](C)c2ccccc2C)sc1C(=O)[O-] ZINC000237393752 1029127278 /nfs/dbraw/zinc/12/72/78/1029127278.db2.gz SYSUMZYXDLZMTL-DGCLKSJQSA-N -1 0 346.452 3.829 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)C[C@@H](C)c1ccccc1F ZINC000237398879 1029158189 /nfs/dbraw/zinc/15/81/89/1029158189.db2.gz PIOOKRYFNWWSNT-RDTXWAMCSA-N -1 0 343.398 3.960 20 0 EHADRM O=C(N=c1nc(-c2cccc(Oc3ccccc3)c2)[n-]s1)C1CC1 ZINC000505175760 1029322327 /nfs/dbraw/zinc/32/23/27/1029322327.db2.gz CCKNNFBDZIGOQM-UHFFFAOYSA-N -1 0 337.404 3.768 20 0 EHADRM CCC(=O)c1cccc(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)c1 ZINC001213196546 1029405432 /nfs/dbraw/zinc/40/54/32/1029405432.db2.gz LTEFWHPPFZTXBY-UHFFFAOYSA-N -1 0 340.379 3.826 20 0 EHADRM CSc1ccc(NC(=O)c2cnc3c(C)cc(F)cc3c2O)cc1 ZINC000155131294 1029440501 /nfs/dbraw/zinc/44/05/01/1029440501.db2.gz FSMFZWOBAURBJI-UHFFFAOYSA-N -1 0 342.395 3.950 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000533197152 1029440995 /nfs/dbraw/zinc/44/09/95/1029440995.db2.gz KWUUUTHRFIOQII-CVEARBPZSA-N -1 0 347.455 3.599 20 0 EHADRM CCc1oc(C(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)cc1C(=O)[O-] ZINC000261636884 1029465137 /nfs/dbraw/zinc/46/51/37/1029465137.db2.gz KIIQYERCSHVJIR-GOEBONIOSA-N -1 0 341.407 3.681 20 0 EHADRM CCc1oc(C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)cc1C(=O)[O-] ZINC000261640135 1029467383 /nfs/dbraw/zinc/46/73/83/1029467383.db2.gz KTJONJRYFWCWLO-LBPRGKRZSA-N -1 0 345.395 3.818 20 0 EHADRM CCc1oc(C(=O)N2CC[C@H](c3ccccc3)[C@H]2C)cc1C(=O)[O-] ZINC000261684514 1029481813 /nfs/dbraw/zinc/48/18/13/1029481813.db2.gz QWIWUIXTAPWRHG-OCCSQVGLSA-N -1 0 327.380 3.558 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N2CCCCC[C@H]2c2ccco2)c1 ZINC000262166574 1029570316 /nfs/dbraw/zinc/57/03/16/1029570316.db2.gz KZGCYHKMAZQCTH-INIZCTEOSA-N -1 0 327.380 3.664 20 0 EHADRM CCc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2C)cc1CC ZINC000535990003 1029590953 /nfs/dbraw/zinc/59/09/53/1029590953.db2.gz MWWASBDAAWVBDI-UHFFFAOYSA-N -1 0 347.436 3.619 20 0 EHADRM Cc1nc([C@H](C)NC(=O)[C@H]2CC[C@H](C(C)C)CC2)sc1C(=O)[O-] ZINC000262713078 1029626148 /nfs/dbraw/zinc/62/61/48/1029626148.db2.gz CBOSLYOIJSZWSW-AVGNSLFASA-N -1 0 338.473 3.789 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000262709058 1029626708 /nfs/dbraw/zinc/62/67/08/1029626708.db2.gz CCOCNQYPPCTHFR-UGSOOPFHSA-N -1 0 333.359 3.644 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC000262763711 1029631764 /nfs/dbraw/zinc/63/17/64/1029631764.db2.gz KQILLUFSUMRMIG-SWLSCSKDSA-N -1 0 327.355 3.542 20 0 EHADRM Cc1c2cccc(Cl)c2oc1C(=O)N1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000262797900 1029635608 /nfs/dbraw/zinc/63/56/08/1029635608.db2.gz CJRBBDCUZHMFQH-GOSISDBHSA-N -1 0 349.814 3.968 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CN(C(=O)CC1(C(=O)[O-])CCC1)CC2 ZINC000262811794 1029639074 /nfs/dbraw/zinc/63/90/74/1029639074.db2.gz OTOXRJKNLYEXEY-UHFFFAOYSA-N -1 0 329.440 3.514 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(c2nccc(C(F)F)n2)CC1 ZINC000583325054 1029641102 /nfs/dbraw/zinc/64/11/02/1029641102.db2.gz XJGIUOQNLGQSMS-UHFFFAOYSA-N -1 0 347.365 3.572 20 0 EHADRM COc1cc(NC(=O)CC(C)(C)c2ccccc2)ccc1C(=O)[O-] ZINC000262932049 1029651802 /nfs/dbraw/zinc/65/18/02/1029651802.db2.gz LIFPBCULNSBBPR-UHFFFAOYSA-N -1 0 327.380 3.700 20 0 EHADRM CCCCCOCC(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000262951827 1029653317 /nfs/dbraw/zinc/65/33/17/1029653317.db2.gz HHFGPWKZXPSTGU-SFHVURJKSA-N -1 0 343.423 3.679 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000263111380 1029667324 /nfs/dbraw/zinc/66/73/24/1029667324.db2.gz URYLQHIEJRLYHB-JTQLQIEISA-N -1 0 346.254 3.789 20 0 EHADRM C[C@@H]1C[C@H](CC(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)CC(C)(C)C1 ZINC000263158737 1029670211 /nfs/dbraw/zinc/67/02/11/1029670211.db2.gz XWZNGXZQRQWKTI-HSMVNMDESA-N -1 0 349.393 3.705 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)C[C@@H]2CCCc3ccccc32)cc1F ZINC000263158709 1029670303 /nfs/dbraw/zinc/67/03/03/1029670303.db2.gz IELPFGXSUBIWSK-AWEZNQCLSA-N -1 0 341.382 3.902 20 0 EHADRM C[C@H](CCC(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000263216570 1029676335 /nfs/dbraw/zinc/67/63/35/1029676335.db2.gz XQIRYDBANCDUAB-OAHLLOKOSA-N -1 0 325.408 3.627 20 0 EHADRM CCC[C@@H](C)N(C)C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000525104215 1029687062 /nfs/dbraw/zinc/68/70/62/1029687062.db2.gz RDZYAHZCWHHIQD-CQSZACIVSA-N -1 0 329.444 3.962 20 0 EHADRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000263413522 1029696768 /nfs/dbraw/zinc/69/67/68/1029696768.db2.gz HLCNXQOYZQBAAO-RVMXOQNASA-N -1 0 335.366 3.505 20 0 EHADRM O=C([O-])c1cccc(N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000263433498 1029697780 /nfs/dbraw/zinc/69/77/80/1029697780.db2.gz UJQZIFCVCAWLQR-IUODEOHRSA-N -1 0 336.750 3.514 20 0 EHADRM Cc1cccc([C@H]2CCCCN2C(=O)c2cc(C(=O)[O-])ccn2)c1C ZINC000263433069 1029698028 /nfs/dbraw/zinc/69/80/28/1029698028.db2.gz UHUJVEATCKSQJW-GOSISDBHSA-N -1 0 338.407 3.764 20 0 EHADRM COc1ccc2c(c1)C[C@@H](Nc1cccc(CCC(=O)[O-])c1)CC2 ZINC000263474126 1029702083 /nfs/dbraw/zinc/70/20/83/1029702083.db2.gz DZJAEVBNAZAPTR-SFHVURJKSA-N -1 0 325.408 3.682 20 0 EHADRM Cc1ccc(NC2CCC(C(=O)[O-])CC2)c(OC[C@@H]2CCCO2)c1 ZINC000263470254 1029702718 /nfs/dbraw/zinc/70/27/18/1029702718.db2.gz LEWIARKDYJSDJQ-GPANFISMSA-N -1 0 333.428 3.608 20 0 EHADRM CCCC[C@H](CC)CC(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000262578048 1029795210 /nfs/dbraw/zinc/79/52/10/1029795210.db2.gz PEGRMVGOTRYFIT-NEPJUHHUSA-N -1 0 326.462 3.933 20 0 EHADRM O=C([O-])c1ccc(CN2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000455664196 1029817910 /nfs/dbraw/zinc/81/79/10/1029817910.db2.gz UIVAEFROESHZMZ-KRWDZBQOSA-N -1 0 348.406 3.507 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N2C[C@@H](C)C[C@H]2C)s1)c1ccccc1 ZINC000525413454 1029842006 /nfs/dbraw/zinc/84/20/06/1029842006.db2.gz GADVYPXEBZWECY-GZBFAFLISA-N -1 0 344.484 3.764 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cn(CC(C)C)c2ccccc12 ZINC000446902065 1029846269 /nfs/dbraw/zinc/84/62/69/1029846269.db2.gz IEGJEVDEGLRBCW-AWEZNQCLSA-N -1 0 330.428 3.623 20 0 EHADRM Cc1nc([C@H](C)NC(=O)c2ccc3c(c2)CCCC3)sc1C(=O)[O-] ZINC000237485522 1029854346 /nfs/dbraw/zinc/85/43/46/1029854346.db2.gz OPAOXUNAUCREFJ-NSHDSACASA-N -1 0 344.436 3.520 20 0 EHADRM Cc1ccc(-c2n[n-]c(=NCc3nc4ccc(F)cc4s3)o2)s1 ZINC000446966660 1029868501 /nfs/dbraw/zinc/86/85/01/1029868501.db2.gz PMISUMLXCFKHHX-UHFFFAOYSA-N -1 0 346.412 3.889 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)nn2)cc1 ZINC000446969668 1029875409 /nfs/dbraw/zinc/87/54/09/1029875409.db2.gz OIOCFNLDOBIQOD-UHFFFAOYSA-N -1 0 345.468 3.842 20 0 EHADRM CCc1cccc(C)c1N=c1[n-]nc(SCc2cncn2C)s1 ZINC000481771866 1029937933 /nfs/dbraw/zinc/93/79/33/1029937933.db2.gz WYCSPVLICOBRFD-UHFFFAOYSA-N -1 0 345.497 3.600 20 0 EHADRM Cc1cc([C@@H](C)N2CCO[C@H](CCc3ccccc3)C2)oc1C(=O)[O-] ZINC000583504997 1029956952 /nfs/dbraw/zinc/95/69/52/1029956952.db2.gz NUTWSHKSQUJWCM-NVXWUHKLSA-N -1 0 343.423 3.681 20 0 EHADRM Cc1cccc(OCCCNC(=O)CC2(CC(=O)[O-])CCCC2)c1C ZINC000447124491 1029964484 /nfs/dbraw/zinc/96/44/84/1029964484.db2.gz AWRMBXRRFLZVAE-UHFFFAOYSA-N -1 0 347.455 3.614 20 0 EHADRM COCc1cc(-c2ccc([S@](=O)CCCC(=O)[O-])cc2)cs1 ZINC000600965180 1029970948 /nfs/dbraw/zinc/97/09/48/1029970948.db2.gz LSOHIBRYONTIOR-JOCHJYFZSA-N -1 0 338.450 3.534 20 0 EHADRM Cc1cc(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)ccc1CO ZINC001211585019 1029989340 /nfs/dbraw/zinc/98/93/40/1029989340.db2.gz HGFJLOVSADFSRW-UHFFFAOYSA-N -1 0 343.404 3.631 20 0 EHADRM Brc1ccc(CN=c2[n-]nc(-c3ccccc3)o2)cc1 ZINC000508589428 1030017725 /nfs/dbraw/zinc/01/77/25/1030017725.db2.gz QTHGSYVKRBLOPI-UHFFFAOYSA-N -1 0 330.185 3.533 20 0 EHADRM COc1cc(C)cc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)c1C ZINC000447269476 1030056245 /nfs/dbraw/zinc/05/62/45/1030056245.db2.gz CDFGVWKLEOESHR-UHFFFAOYSA-N -1 0 341.379 3.699 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ncc(-c3ccccc3)cn2)cc1C ZINC000481867972 1030061869 /nfs/dbraw/zinc/06/18/69/1030061869.db2.gz BZTYRCZPKCOICQ-UHFFFAOYSA-N -1 0 339.420 3.561 20 0 EHADRM CN(CCc1cccs1)C(=O)c1cccc(Br)c1[O-] ZINC000525773674 1030110615 /nfs/dbraw/zinc/11/06/15/1030110615.db2.gz LOGMRJCZZUWCFF-UHFFFAOYSA-N -1 0 340.242 3.531 20 0 EHADRM CC(C)=C[C@H]1[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)C1(C)C ZINC000042308662 1030111867 /nfs/dbraw/zinc/11/18/67/1030111867.db2.gz GFNPKWYZZMOQSQ-HOTGVXAUSA-N -1 0 346.452 3.583 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCc3ccccc32)s1 ZINC000042318716 1030150705 /nfs/dbraw/zinc/15/07/05/1030150705.db2.gz RAPFUDCMMMZWPU-CQSZACIVSA-N -1 0 335.450 3.822 20 0 EHADRM Cc1ccc(-c2nc(NC(=O)[C@H](C(=O)[O-])C(C)C)sc2C)s1 ZINC000583565457 1030152803 /nfs/dbraw/zinc/15/28/03/1030152803.db2.gz UZEVFDWZDHDBHC-LLVKDONJSA-N -1 0 338.454 3.784 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)Cc1coc2ccc3ccccc3c12)C(=O)[O-] ZINC000532004484 1030220587 /nfs/dbraw/zinc/22/05/87/1030220587.db2.gz FTINLPSHXYDRMI-BLVKFPJESA-N -1 0 339.391 3.744 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)ccn1)c1ccc(Cl)c(Cl)c1 ZINC000088330147 1030231699 /nfs/dbraw/zinc/23/16/99/1030231699.db2.gz LGBQSJSJCYQDIN-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM C[C@@H]1CN(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])CC(C)(C)C1 ZINC000447545988 1030277441 /nfs/dbraw/zinc/27/74/41/1030277441.db2.gz ZPFMNGRMCICNPS-LBPRGKRZSA-N -1 0 347.846 3.740 20 0 EHADRM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)CC1(C(=O)[O-])CCCCCC1 ZINC000237592571 1030336134 /nfs/dbraw/zinc/33/61/34/1030336134.db2.gz SFTNWWWBJIHKGL-KBXCAEBGSA-N -1 0 329.440 3.851 20 0 EHADRM COc1cc(CN(C)C(=O)c2c([O-])cccc2F)ccc1SC ZINC000121696265 1030340883 /nfs/dbraw/zinc/34/08/83/1030340883.db2.gz HGQJVALMDQHJMJ-UHFFFAOYSA-N -1 0 335.400 3.534 20 0 EHADRM O=C(CCCc1ccc(O)c(F)c1)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000447763565 1030468337 /nfs/dbraw/zinc/46/83/37/1030468337.db2.gz FRUIWFJPCJMOIB-DOTOQJQBSA-N -1 0 331.362 3.665 20 0 EHADRM Cc1cscc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000447779712 1030476722 /nfs/dbraw/zinc/47/67/22/1030476722.db2.gz UPGSNNDCFSIICC-UHFFFAOYSA-N -1 0 337.344 3.598 20 0 EHADRM O=S(=O)(Nc1ccc(F)cc1)c1ccc(C(F)(F)F)c(F)c1 ZINC000447789649 1030489635 /nfs/dbraw/zinc/48/96/35/1030489635.db2.gz SODYPFMQENAQNP-UHFFFAOYSA-N -1 0 337.269 3.784 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccccc2F)cccc1C(F)(F)F ZINC000122238950 1030556903 /nfs/dbraw/zinc/55/69/03/1030556903.db2.gz MTIMNTJSNGHPLB-UHFFFAOYSA-N -1 0 333.306 3.954 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)cn2)cc1C(C)C ZINC000193715724 1030603078 /nfs/dbraw/zinc/60/30/78/1030603078.db2.gz BCUQIFLNRRSJNP-UHFFFAOYSA-N -1 0 334.441 3.631 20 0 EHADRM Cc1cc(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)c(Cl)cc1F ZINC000347362976 1030676726 /nfs/dbraw/zinc/67/67/26/1030676726.db2.gz JIBNRGBVALNQNG-AWEZNQCLSA-N -1 0 347.773 3.612 20 0 EHADRM CC(C)(CC(=O)N[C@@H](c1ccccc1)c1cccc(F)c1)C(=O)[O-] ZINC000583775724 1030703244 /nfs/dbraw/zinc/70/32/44/1030703244.db2.gz AKUJJAPEWKEDSB-KRWDZBQOSA-N -1 0 329.371 3.532 20 0 EHADRM CSc1nc(=NC(=O)N[C@H](c2ccccc2C)C(C)C)s[n-]1 ZINC000476637614 1030755612 /nfs/dbraw/zinc/75/56/12/1030755612.db2.gz UZYUKJIWMVLSLH-LBPRGKRZSA-N -1 0 336.486 3.509 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000448153180 1030774501 /nfs/dbraw/zinc/77/45/01/1030774501.db2.gz DZGLQESBMXMDTL-AWEZNQCLSA-N -1 0 338.455 3.654 20 0 EHADRM CC(C)(C)C1=CCN(C(=O)N=c2nc(-c3ccccc3)[n-]s2)CC1 ZINC000550917206 1030794733 /nfs/dbraw/zinc/79/47/33/1030794733.db2.gz RYVSDFXVGBUKQU-UHFFFAOYSA-N -1 0 342.468 3.837 20 0 EHADRM Cc1cc([C@H](NC(=O)N=c2[n-]nc(C3CC3)s2)C2CC2)ccc1F ZINC000550917719 1030797290 /nfs/dbraw/zinc/79/72/90/1030797290.db2.gz WTVWDWHSIVYDGJ-CQSZACIVSA-N -1 0 346.431 3.558 20 0 EHADRM O=C([O-])CCCCNc1ccc2cc(Br)c(F)cc2n1 ZINC000668161598 1030818594 /nfs/dbraw/zinc/81/85/94/1030818594.db2.gz SWDMEKVEJDGPKI-UHFFFAOYSA-N -1 0 341.180 3.803 20 0 EHADRM Cc1ccc(-c2n[n-]c(=NCc3cccc(-n4cccn4)c3)o2)c(C)c1 ZINC000550950801 1030827649 /nfs/dbraw/zinc/82/76/49/1030827649.db2.gz UXHFLOIMTDBYNA-UHFFFAOYSA-N -1 0 345.406 3.573 20 0 EHADRM O=C([N-]S(=O)(=O)c1cccc2ccccc21)c1ccccc1Cl ZINC000145396037 1030831417 /nfs/dbraw/zinc/83/14/17/1030831417.db2.gz HAVGZKWQNUAHLJ-UHFFFAOYSA-N -1 0 345.807 3.612 20 0 EHADRM COc1ncc(Nc2ccc(C)c(C(=O)[O-])c2)cc1C(F)(F)F ZINC001211599456 1030846521 /nfs/dbraw/zinc/84/65/21/1030846521.db2.gz MJVHIPQFKHDOSN-UHFFFAOYSA-N -1 0 326.274 3.859 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cnn(C(C)(C)C)c2)cc1 ZINC000476765903 1030911571 /nfs/dbraw/zinc/91/15/71/1030911571.db2.gz UTBOOSMQOSAHKP-CYBMUJFWSA-N -1 0 335.473 3.952 20 0 EHADRM Cc1cc(C(=O)N[C@@H](C)CCC(=O)[O-])c(C)n1-c1cccc(Cl)c1 ZINC000237530443 1030924073 /nfs/dbraw/zinc/92/40/73/1030924073.db2.gz SSXVTASQIOKJMZ-NSHDSACASA-N -1 0 348.830 3.731 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)N[C@@]3(C)CCCC[C@H]3C(=O)[O-])c2c1 ZINC000262844183 1030928646 /nfs/dbraw/zinc/92/86/46/1030928646.db2.gz SOEWNVQSOZXVAD-JXFKEZNVSA-N -1 0 342.439 3.559 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000262834748 1030929588 /nfs/dbraw/zinc/92/95/88/1030929588.db2.gz CNHAPOFERQNMRO-QOZQQMKHSA-N -1 0 337.382 3.751 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@@H](C)c2ccc(OCC(=O)[O-])cc2)s1 ZINC000455885788 1030959106 /nfs/dbraw/zinc/95/91/06/1030959106.db2.gz OTKFIJRHFJJANI-LBPRGKRZSA-N -1 0 347.436 3.826 20 0 EHADRM CN(Cc1ccc(Br)s1)C(=O)c1ccc(F)cc1[O-] ZINC000123213891 1031020784 /nfs/dbraw/zinc/02/07/84/1031020784.db2.gz WYYXVHQNPQJPFP-UHFFFAOYSA-N -1 0 344.205 3.628 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccnn2[C@@H](C)CC(C)C)c1 ZINC000476911581 1031066562 /nfs/dbraw/zinc/06/65/62/1031066562.db2.gz VZQUPGHAXPMKLO-ZDUSSCGKSA-N -1 0 339.436 3.739 20 0 EHADRM CC(C)c1cc([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)no1 ZINC000476921292 1031083509 /nfs/dbraw/zinc/08/35/09/1031083509.db2.gz ISLBFEDEBZSPJR-UHFFFAOYSA-N -1 0 349.437 3.722 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(C(C)(C)C)on2)c1 ZINC000476924515 1031087505 /nfs/dbraw/zinc/08/75/05/1031087505.db2.gz MQFQZMSTNIWHDO-UHFFFAOYSA-N -1 0 345.424 3.630 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc(Cl)ccc1Cl ZINC000314834417 1031124907 /nfs/dbraw/zinc/12/49/07/1031124907.db2.gz YCEZJGXKRCMHJK-FZQKWOKYSA-N -1 0 342.222 3.851 20 0 EHADRM CC(C)n1cc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cn1 ZINC000066585476 1031138832 /nfs/dbraw/zinc/13/88/32/1031138832.db2.gz KKFRFXWTOJNBAG-UHFFFAOYSA-N -1 0 334.228 3.572 20 0 EHADRM Cc1ccc(-c2n[n-]c(=NCc3ccnn3-c3ccccc3)o2)c(C)c1 ZINC000551325845 1031237939 /nfs/dbraw/zinc/23/79/39/1031237939.db2.gz NBMSDIXIBLMAHU-UHFFFAOYSA-N -1 0 345.406 3.573 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)c(Cl)c1 ZINC000116602128 1031252414 /nfs/dbraw/zinc/25/24/14/1031252414.db2.gz OEIOLMMNPQJOCN-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM Cc1nc([C@H](C)Sc2n[nH]c(=O)[n-]2)oc1-c1ccc(Cl)cc1 ZINC000194638342 1031263790 /nfs/dbraw/zinc/26/37/90/1031263790.db2.gz WBLPRBSMVRRDTD-QMMMGPOBSA-N -1 0 336.804 3.980 20 0 EHADRM COCc1n[n-]c(=NC(c2cccc(C)c2)c2cccc(C)c2)s1 ZINC000477120109 1031269260 /nfs/dbraw/zinc/26/92/60/1031269260.db2.gz LHMIDCOCJMGCAC-UHFFFAOYSA-N -1 0 339.464 3.925 20 0 EHADRM COCc1n[n-]c(=NC[C@@H](C)c2c(Cl)cccc2Cl)s1 ZINC000477188418 1031328800 /nfs/dbraw/zinc/32/88/00/1031328800.db2.gz PBUQPHPNVLTOEI-MRVPVSSYSA-N -1 0 332.256 3.629 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)c1cccc([C@H]2CCCOC2)c1)C(=O)[O-] ZINC000668289240 1031403544 /nfs/dbraw/zinc/40/35/44/1031403544.db2.gz RVTSRWXYKYNYGR-IRXDYDNUSA-N -1 0 347.455 3.590 20 0 EHADRM CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1cccc(CC(=O)[O-])c1 ZINC000668298935 1031423418 /nfs/dbraw/zinc/42/34/18/1031423418.db2.gz OHBISPDUYITORS-GOSISDBHSA-N -1 0 341.407 3.546 20 0 EHADRM CN(CC1CCCCC1)C(=O)N=c1[n-]nc(/C=C\c2ccco2)s1 ZINC000484009860 1031424535 /nfs/dbraw/zinc/42/45/35/1031424535.db2.gz OHLKDSKSDHKQNW-KTKRTIGZSA-N -1 0 346.456 3.767 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCC(C)(C)C3)n2)c1 ZINC000176310191 1031425237 /nfs/dbraw/zinc/42/52/37/1031425237.db2.gz NZLODRPAGISBIC-UHFFFAOYSA-N -1 0 327.428 3.573 20 0 EHADRM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccc(C(=O)[O-])s3)C2)cc1 ZINC000668300817 1031428373 /nfs/dbraw/zinc/42/83/73/1031428373.db2.gz XOTPQYLGVATZLY-OCCSQVGLSA-N -1 0 329.421 3.773 20 0 EHADRM COc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1O ZINC000484042420 1031440064 /nfs/dbraw/zinc/44/00/64/1031440064.db2.gz MYYBDUFDBQZWJK-UHFFFAOYSA-N -1 0 348.207 3.508 20 0 EHADRM COc1cc(OC)cc(S(=O)(=O)[N-]c2csc3ccccc23)c1 ZINC000484086296 1031456073 /nfs/dbraw/zinc/45/60/73/1031456073.db2.gz ZDCKXMYFINWRQK-UHFFFAOYSA-N -1 0 349.433 3.719 20 0 EHADRM CC(C)Sc1ccccc1C(=O)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000484128468 1031461238 /nfs/dbraw/zinc/46/12/38/1031461238.db2.gz BCQRAFGNWVMXQU-UHFFFAOYSA-N -1 0 341.358 3.670 20 0 EHADRM O=C(CCCc1ccc(Cl)cc1)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000484157310 1031480583 /nfs/dbraw/zinc/48/05/83/1031480583.db2.gz HNGSPGILPIRMDJ-UHFFFAOYSA-N -1 0 343.736 3.532 20 0 EHADRM CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000477361880 1031494191 /nfs/dbraw/zinc/49/41/91/1031494191.db2.gz UEGGMJJYJWTGLW-UHFFFAOYSA-N -1 0 333.409 3.519 20 0 EHADRM COC(=O)c1cc(NC(=O)c2cc(F)c([O-])c(Cl)c2)ccc1C ZINC000194791236 1031514147 /nfs/dbraw/zinc/51/41/47/1031514147.db2.gz LTIMLIMDXUZWCE-UHFFFAOYSA-N -1 0 337.734 3.532 20 0 EHADRM COC(=O)c1cc(Cl)c(Nc2ccc(C)c(C(=O)[O-])c2)cc1OC ZINC001211607970 1031545884 /nfs/dbraw/zinc/54/58/84/1031545884.db2.gz GOZDLZQTBQUIIW-UHFFFAOYSA-N -1 0 349.770 3.885 20 0 EHADRM C[C@@H](NCc1cscc1C(F)(F)F)c1ncc(C(=O)[O-])s1 ZINC000584053583 1031583015 /nfs/dbraw/zinc/58/30/15/1031583015.db2.gz QPSUGAJVHJTSEX-ZCFIWIBFSA-N -1 0 336.360 3.772 20 0 EHADRM Cc1cnc(CN[C@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)o1 ZINC000904002677 1031591282 /nfs/dbraw/zinc/59/12/82/1031591282.db2.gz BFCJNKSVTLNRHT-GFCCVEGCSA-N -1 0 329.183 3.595 20 0 EHADRM Cc1nn(C)c(CNc2ccc(S[C@H](C)C(=O)[O-])cc2)c1Cl ZINC000904017118 1031606904 /nfs/dbraw/zinc/60/69/04/1031606904.db2.gz HDQXJZRJRDKXTP-SNVBAGLBSA-N -1 0 339.848 3.559 20 0 EHADRM O=C(NCC1CCC(F)(F)CC1)c1cccc(Br)c1[O-] ZINC000548817287 1031634372 /nfs/dbraw/zinc/63/43/72/1031634372.db2.gz OYYMHDVAPWUUHH-UHFFFAOYSA-N -1 0 348.187 3.710 20 0 EHADRM C[C@@H]1CCCc2cc(-c3noc(-c4cccc(F)c4[O-])n3)c(=O)[nH]c21 ZINC000904103734 1031730715 /nfs/dbraw/zinc/73/07/15/1031730715.db2.gz HIPRXQNHCNUBTE-SECBINFHSA-N -1 0 341.342 3.789 20 0 EHADRM Cc1nc(C2CC2)ccc1C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000584153210 1031830197 /nfs/dbraw/zinc/83/01/97/1031830197.db2.gz GASNJCAGLHAKIX-UHFFFAOYSA-N -1 0 342.449 3.522 20 0 EHADRM Cc1cc(N2CCCC2)ccc1N[C@H]1C[C@H](NC(=O)[O-])C12CCC2 ZINC000904195470 1031842773 /nfs/dbraw/zinc/84/27/73/1031842773.db2.gz OQQOMNPUQWEAAU-IRXDYDNUSA-N -1 0 329.444 3.586 20 0 EHADRM COc1c(Cl)cc(N[C@@H]2C[C@@H](NC(=O)[O-])C23CCC3)cc1Cl ZINC000904200060 1031846876 /nfs/dbraw/zinc/84/68/76/1031846876.db2.gz PWJRRQHQAQVTBX-VXGBXAGGSA-N -1 0 345.226 3.993 20 0 EHADRM Oc1ccc(-c2noc(-c3ccn(-c4ccccc4)n3)n2)c(Cl)c1 ZINC000445450892 1031849537 /nfs/dbraw/zinc/84/95/37/1031849537.db2.gz YABAZMFKZGUFLJ-UHFFFAOYSA-N -1 0 338.754 3.948 20 0 EHADRM O=C([O-])N[C@H]1C[C@H](Nc2cnn(-c3ccccc3Cl)c2)C12CCC2 ZINC000904225980 1031862493 /nfs/dbraw/zinc/86/24/93/1031862493.db2.gz OEJKLWDPFJBTPO-GJZGRUSLSA-N -1 0 346.818 3.516 20 0 EHADRM O=C([O-])N[C@H]1C[C@H](Nc2ccc(Cl)c(OC(F)F)c2)C12CCC2 ZINC000904231504 1031870392 /nfs/dbraw/zinc/87/03/92/1031870392.db2.gz UKOMNHCHFOMJQY-RYUDHWBXSA-N -1 0 346.761 3.932 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NC[C@H]1CCCC[C@H]1c1ccccc1 ZINC000666111497 1032015049 /nfs/dbraw/zinc/01/50/49/1032015049.db2.gz ONUQJIFBAGDUOV-HCXYKTFWSA-N -1 0 341.451 3.744 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 ZINC000263337191 1033366424 /nfs/dbraw/zinc/36/64/24/1033366424.db2.gz MQYJXXQAHFDSLD-RYUDHWBXSA-N -1 0 347.798 3.783 20 0 EHADRM Fc1ccccc1Cc1n[n-]c(=NCc2cccc3ccccc32)o1 ZINC000537489508 1033371060 /nfs/dbraw/zinc/37/10/60/1033371060.db2.gz PCCWVBNCYUVCQL-UHFFFAOYSA-N -1 0 333.366 3.987 20 0 EHADRM CSC1(c2nc(-c3cc(F)c([O-])c(Br)c3)no2)CC1 ZINC000598682648 1033381065 /nfs/dbraw/zinc/38/10/65/1033381065.db2.gz GPGAFYXCODGNOH-UHFFFAOYSA-N -1 0 345.193 3.696 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263369790 1033381911 /nfs/dbraw/zinc/38/19/11/1033381911.db2.gz VATHWUIXYSKBNM-GXSJLCMTSA-N -1 0 335.400 3.532 20 0 EHADRM COc1c(Cl)cc(NC(=O)NC(C)(C)CCC(=O)[O-])cc1Cl ZINC000263451019 1033383586 /nfs/dbraw/zinc/38/35/86/1033383586.db2.gz AMUXOSTUFXVPKD-UHFFFAOYSA-N -1 0 349.214 3.767 20 0 EHADRM Cc1nc(S(=O)(=O)[N-]c2cccc(Sc3ccccc3)c2)c[nH]1 ZINC000594575817 1033459687 /nfs/dbraw/zinc/45/96/87/1033459687.db2.gz VSMIDZLBADRUEO-UHFFFAOYSA-N -1 0 345.449 3.670 20 0 EHADRM COc1cc(F)ccc1NC(=O)c1ccc(Br)cc1[O-] ZINC000044491144 1033499869 /nfs/dbraw/zinc/49/98/69/1033499869.db2.gz BTNTVGNWFBJYNQ-UHFFFAOYSA-N -1 0 340.148 3.555 20 0 EHADRM C[C@@H]1CCCN(C(=O)c2cc(Br)c(F)cc2[O-])[C@H]1C ZINC000449984494 1033519902 /nfs/dbraw/zinc/51/99/02/1033519902.db2.gz IHFNJMODNZWCAW-BDAKNGLRSA-N -1 0 330.197 3.554 20 0 EHADRM O=C(N=c1[n-]nc(C2CC2)s1)N1CCCC[C@@H]1c1ccccc1 ZINC000548845247 1033528691 /nfs/dbraw/zinc/52/86/91/1033528691.db2.gz MHZVDPFGCLSKBE-CQSZACIVSA-N -1 0 328.441 3.597 20 0 EHADRM CC[C@]1(C)CCCN(C(=O)N=c2[n-]nc(Cc3ccccc3)s2)C1 ZINC000608263769 1033557961 /nfs/dbraw/zinc/55/79/61/1033557961.db2.gz WEXRBNIQDHTDKN-GOSISDBHSA-N -1 0 344.484 3.595 20 0 EHADRM C[C@@H]1C[C@@H]1[C@H](NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000608340532 1033644424 /nfs/dbraw/zinc/64/44/24/1033644424.db2.gz NLABMLSVZZJCLP-SJTFNBSGSA-N -1 0 347.842 3.820 20 0 EHADRM CC(C)[C@@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1ccccc1Cl ZINC000608340423 1033645720 /nfs/dbraw/zinc/64/57/20/1033645720.db2.gz UPHRCWLAFJTUBQ-DVOMOZLQSA-N -1 0 335.831 3.820 20 0 EHADRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)C[C@@H](C)C(C)(C)C)c1 ZINC000455958208 1033690738 /nfs/dbraw/zinc/69/07/38/1033690738.db2.gz VRGYNBWDQHYJTJ-YJYMSZOUSA-N -1 0 335.444 3.574 20 0 EHADRM C[C@H]1CCN(c2ccc3cc(Br)ccc3n2)C[C@H]1C(=O)[O-] ZINC000575059322 1033771619 /nfs/dbraw/zinc/77/16/19/1033771619.db2.gz QELWNYFIGMPPBX-GXFFZTMASA-N -1 0 349.228 3.544 20 0 EHADRM CCC[C@@H]1[C@H](C)CCCN1C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000550651757 1033823525 /nfs/dbraw/zinc/82/35/25/1033823525.db2.gz PUZIQKDBAUBTSF-CZUORRHYSA-N -1 0 345.418 3.758 20 0 EHADRM c1ccc(-c2n[n-]c(=N[C@@H](c3ccccc3)[C@H]3CCCO3)s2)cc1 ZINC000603704419 1033871143 /nfs/dbraw/zinc/87/11/43/1033871143.db2.gz BTNPDWMSERFKLN-SJORKVTESA-N -1 0 337.448 3.959 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)c1sc2ccccc2c1Cl ZINC000059881383 1034039672 /nfs/dbraw/zinc/03/96/72/1034039672.db2.gz XTRCXPSJPRQVKG-UHFFFAOYSA-N -1 0 325.817 3.738 20 0 EHADRM Cc1c(CSC(C)C)cccc1NC(=O)C1(C(=O)[O-])CC=CC1 ZINC000595995396 1034041229 /nfs/dbraw/zinc/04/12/29/1034041229.db2.gz QFJCYHYKVWHTEO-UHFFFAOYSA-N -1 0 333.453 3.996 20 0 EHADRM CCOCc1nc(C)c(C(=O)Nc2ccc(O)c(Cl)c2)s1 ZINC000450294435 1034068180 /nfs/dbraw/zinc/06/81/80/1034068180.db2.gz NTVAYGSXPVMDQQ-UHFFFAOYSA-N -1 0 326.805 3.599 20 0 EHADRM CC(=O)c1nc(NCc2sccc2Br)sc1C ZINC000450292899 1034068831 /nfs/dbraw/zinc/06/88/31/1034068831.db2.gz WHQIOSJHICANSR-UHFFFAOYSA-N -1 0 331.260 3.512 20 0 EHADRM CCC[C@@H](OC)C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000450295558 1034069612 /nfs/dbraw/zinc/06/96/12/1034069612.db2.gz ZBFKNGXUXYUAGG-SNVBAGLBSA-N -1 0 336.613 3.562 20 0 EHADRM CC[C@@H](C)C(=O)CSc1n[n-]c(=Nc2ccccc2F)s1 ZINC000534053965 1034076831 /nfs/dbraw/zinc/07/68/31/1034076831.db2.gz OAXSPFHHIPGYJK-SECBINFHSA-N -1 0 325.434 3.550 20 0 EHADRM CCOC(=O)c1csc(=N[C@H](C)c2ccccc2C(F)(F)F)[n-]1 ZINC000450356721 1034189324 /nfs/dbraw/zinc/18/93/24/1034189324.db2.gz XCKINFBLOTZIRQ-SECBINFHSA-N -1 0 344.358 3.934 20 0 EHADRM Cc1cc(=NC(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)[n-]nc1C ZINC000604233837 1034287711 /nfs/dbraw/zinc/28/77/11/1034287711.db2.gz WTACMSMSVMKQQP-JTQLQIEISA-N -1 0 338.238 3.639 20 0 EHADRM Cc1cc(=NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)[n-]nc1C ZINC000604233253 1034288160 /nfs/dbraw/zinc/28/81/60/1034288160.db2.gz IHPNQADHHSDTGF-NWDGAFQWSA-N -1 0 336.222 3.564 20 0 EHADRM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cc(Cl)ccc1C ZINC000604303794 1034317945 /nfs/dbraw/zinc/31/79/45/1034317945.db2.gz UDOIQIHAMGXUHR-UHFFFAOYSA-N -1 0 341.864 3.843 20 0 EHADRM O=C(NC[C@H]1CC12CCSCC2)c1cc(O)c2ccccc2c1 ZINC000421922031 1034340401 /nfs/dbraw/zinc/34/04/01/1034340401.db2.gz SZSILUJRURZGHF-OAHLLOKOSA-N -1 0 327.449 3.809 20 0 EHADRM Cc1ccc2oc(C(=O)N=c3nc(-c4ccsc4)[n-]s3)cc2c1 ZINC000596898381 1034432538 /nfs/dbraw/zinc/43/25/38/1034432538.db2.gz RGKMBVUVQQTDIV-UHFFFAOYSA-N -1 0 341.417 3.995 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)C1CCC(C(=O)[O-])CC1 ZINC000450532381 1034465284 /nfs/dbraw/zinc/46/52/84/1034465284.db2.gz OSTGMJHURVXYIT-AGERRDQYSA-N -1 0 329.440 3.672 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000450532383 1034466351 /nfs/dbraw/zinc/46/63/51/1034466351.db2.gz OSTGMJHURVXYIT-DKIMLUQUSA-N -1 0 329.440 3.672 20 0 EHADRM CCCc1ccccc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000604691837 1034467099 /nfs/dbraw/zinc/46/70/99/1034467099.db2.gz BFENMBPUMCOTAH-UHFFFAOYSA-N -1 0 326.421 3.988 20 0 EHADRM Cc1nc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2C)c[nH]1 ZINC000596931279 1034468422 /nfs/dbraw/zinc/46/84/22/1034468422.db2.gz BWZHZDAOUWKIJG-UHFFFAOYSA-N -1 0 343.408 3.620 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1cc2cccc(F)c2o1 ZINC000450539576 1034513099 /nfs/dbraw/zinc/51/30/99/1034513099.db2.gz LMSOBSAXRZEFNI-WCFLWFBJSA-N -1 0 333.359 3.640 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1cc2cccc(F)c2o1 ZINC000450538955 1034513387 /nfs/dbraw/zinc/51/33/87/1034513387.db2.gz JALMZPAFXXPKFO-SRVKXCTJSA-N -1 0 333.359 3.640 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1cc2cccc(F)c2o1 ZINC000450539574 1034513734 /nfs/dbraw/zinc/51/37/34/1034513734.db2.gz LMSOBSAXRZEFNI-DRZSPHRISA-N -1 0 333.359 3.640 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2ccc3ccccc3n2)cc1 ZINC000604839160 1034521969 /nfs/dbraw/zinc/52/19/69/1034521969.db2.gz YXSOJWIIXNYIMC-UHFFFAOYSA-N -1 0 326.421 3.988 20 0 EHADRM CCC[C@H](CC1CCCC1)C(=O)N=c1nc(-c2cccnc2)[n-]s1 ZINC000534439892 1034543027 /nfs/dbraw/zinc/54/30/27/1034543027.db2.gz GJDNVURBPRFNNY-CQSZACIVSA-N -1 0 344.484 3.957 20 0 EHADRM Cc1nc2scc(CC(C)C)c2c(N2CCC(C)(C(=O)[O-])CC2)n1 ZINC000647457987 1034594122 /nfs/dbraw/zinc/59/41/22/1034594122.db2.gz LWNZKXGFBFUGFG-UHFFFAOYSA-N -1 0 347.484 3.889 20 0 EHADRM C[C@@H](CCC(=O)N=c1nc(-c2cccnc2)[n-]s1)c1ccccc1 ZINC000534493971 1034606560 /nfs/dbraw/zinc/60/65/60/1034606560.db2.gz MCUYNZOBBAJCQQ-ZDUSSCGKSA-N -1 0 338.436 3.544 20 0 EHADRM CSc1ccccc1NC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000121262243 1034607885 /nfs/dbraw/zinc/60/78/85/1034607885.db2.gz FTOKHORPHPDOCW-UHFFFAOYSA-N -1 0 325.393 3.552 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]C(=O)c1cccc(C(F)(F)F)c1 ZINC000060494969 1034610199 /nfs/dbraw/zinc/61/01/99/1034610199.db2.gz GLQODJRFOQUEOS-UHFFFAOYSA-N -1 0 343.326 3.707 20 0 EHADRM CC(C)(C(=O)[N-]OCc1ccccc1)c1ccc(Br)cc1 ZINC000060501010 1034629958 /nfs/dbraw/zinc/62/99/58/1034629958.db2.gz YTIMOKDFVUFNOW-UHFFFAOYSA-N -1 0 348.240 3.975 20 0 EHADRM CC(C)(NC(=O)c1cc(F)cc(F)c1[O-])c1nc2ccccc2s1 ZINC001168123947 1034635869 /nfs/dbraw/zinc/63/58/69/1034635869.db2.gz ITKPISMZWVBHTJ-UHFFFAOYSA-N -1 0 348.374 3.945 20 0 EHADRM Cn1[n-]c(C(=O)Nc2cccc(CSC3CCCC3)c2)cc1=O ZINC000597287494 1034650731 /nfs/dbraw/zinc/65/07/31/1034650731.db2.gz CZNBIEWMMLRCGE-UHFFFAOYSA-N -1 0 331.441 3.554 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nc3ccsc3s2)cc1F ZINC000605257774 1034670848 /nfs/dbraw/zinc/67/08/48/1034670848.db2.gz OYNMAUSRLCFLHM-UHFFFAOYSA-N -1 0 328.415 3.606 20 0 EHADRM O=S(=O)(C[C@H]1CCCO1)[N-]c1ccccc1Sc1ccccc1 ZINC000605291306 1034675977 /nfs/dbraw/zinc/67/59/77/1034675977.db2.gz RWZOHTDGGLWGPN-CQSZACIVSA-N -1 0 349.477 3.759 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccsc2)s1)c1cc2occc2s1 ZINC000605457501 1034745362 /nfs/dbraw/zinc/74/53/62/1034745362.db2.gz KAUDIBVIUHRULK-UHFFFAOYSA-N -1 0 333.419 3.749 20 0 EHADRM CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1C#N ZINC000076759363 1034770040 /nfs/dbraw/zinc/77/00/40/1034770040.db2.gz JIQVSTNTFCSYRV-CQSZACIVSA-N -1 0 336.457 3.951 20 0 EHADRM CN(C)[C@H](C(=O)Nc1cccc(Cl)c1[O-])c1cccc(Cl)c1 ZINC000605888005 1034836880 /nfs/dbraw/zinc/83/68/80/1034836880.db2.gz BCVFCAZFILODLI-AWEZNQCLSA-N -1 0 339.222 3.940 20 0 EHADRM CC1CCN(c2ccc(C(=O)Nc3cccc(Cl)c3[O-])cn2)CC1 ZINC000605888004 1034837161 /nfs/dbraw/zinc/83/71/61/1034837161.db2.gz AURCNZQYENGYKI-UHFFFAOYSA-N -1 0 345.830 3.929 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1cn(-c2ccc(Cl)cc2)nn1 ZINC000605888020 1034838670 /nfs/dbraw/zinc/83/86/70/1034838670.db2.gz CMEKUWOKDPNCBM-UHFFFAOYSA-N -1 0 349.177 3.532 20 0 EHADRM CC(C)[C@H](NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])c1ccccc1Cl ZINC000601980600 1034845491 /nfs/dbraw/zinc/84/54/91/1034845491.db2.gz AKSQXNHNLVKNQS-SUNKGSAMSA-N -1 0 343.876 3.748 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)[O-] ZINC000601983903 1034847877 /nfs/dbraw/zinc/84/78/77/1034847877.db2.gz QWCVMSRRCIWELN-NWDGAFQWSA-N -1 0 341.432 3.791 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC000606149653 1034874076 /nfs/dbraw/zinc/87/40/76/1034874076.db2.gz QAMKBCVAIARMBZ-HNNXBMFYSA-N -1 0 327.380 3.671 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(C3CCOCC3)c2)c(C)o1 ZINC000530144399 1035005406 /nfs/dbraw/zinc/00/54/06/1035005406.db2.gz GLYAFRQNWUSMPX-UHFFFAOYSA-N -1 0 335.425 3.591 20 0 EHADRM CC(C)(C)C(=O)c1ccc([N-]S(=O)(=O)c2sccc2F)cc1 ZINC000451020978 1035017604 /nfs/dbraw/zinc/01/76/04/1035017604.db2.gz NSGTZTQQQSFPPK-UHFFFAOYSA-N -1 0 341.429 3.917 20 0 EHADRM CCO[C@@H](CC(=O)Nc1cc(C)c(C)c(C(=O)[O-])c1)C1=CCCC1 ZINC000431667822 1035168880 /nfs/dbraw/zinc/16/88/80/1035168880.db2.gz REKUQWGPHLAENZ-KRWDZBQOSA-N -1 0 331.412 3.846 20 0 EHADRM CSc1cc(C)ccc1NC(=O)c1cc(CN2CCCC2)on1 ZINC000413891382 1035186443 /nfs/dbraw/zinc/18/64/43/1035186443.db2.gz CSQZYEBHCOHKAC-UHFFFAOYSA-N -1 0 331.441 3.553 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000317068095 1035241921 /nfs/dbraw/zinc/24/19/21/1035241921.db2.gz WFNKTESZDIGGJF-NEPJUHHUSA-N -1 0 325.792 3.568 20 0 EHADRM Cc1cscc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000161603704 1035276874 /nfs/dbraw/zinc/27/68/74/1035276874.db2.gz UIARIPPDXFOPIR-UHFFFAOYSA-N -1 0 346.817 3.727 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000075243239 1035292806 /nfs/dbraw/zinc/29/28/06/1035292806.db2.gz BCURRVYFGNAORV-UHFFFAOYSA-N -1 0 341.407 3.640 20 0 EHADRM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccnn1C1CCCC1 ZINC000066248906 1035326682 /nfs/dbraw/zinc/32/66/82/1035326682.db2.gz USVHOFHVNZMBRM-UHFFFAOYSA-N -1 0 339.848 3.761 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)NC[C@H]1CCCCC1(F)F)C1CCCCC1 ZINC000414082547 1035457293 /nfs/dbraw/zinc/45/72/93/1035457293.db2.gz CHHWFIMCCXJISK-PBHICJAKSA-N -1 0 345.430 3.989 20 0 EHADRM O=C(N[C@H](CC1CCC1)c1ccccc1)c1ccc2oc(=O)nc-2[n-]1 ZINC000613312792 1035540862 /nfs/dbraw/zinc/54/08/62/1035540862.db2.gz ZCBUMJLGBGIPHQ-OAHLLOKOSA-N -1 0 337.379 3.590 20 0 EHADRM O=C(c1nn(-c2cccc(Cl)c2)cc1[O-])N1CCC[C@@H]2CCC[C@H]21 ZINC000669225230 1035607261 /nfs/dbraw/zinc/60/72/61/1035607261.db2.gz HINDZNLUSMYUGL-SWLSCSKDSA-N -1 0 345.830 3.636 20 0 EHADRM C[C@@H](N=c1[n-]c(-c2ccccc2)no1)c1ccc(NC(=O)C2CC2)cc1 ZINC000588160201 1035731359 /nfs/dbraw/zinc/73/13/59/1035731359.db2.gz OJBADFQCFGUSMF-CYBMUJFWSA-N -1 0 348.406 3.680 20 0 EHADRM Cc1cccc(CS(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F)c1 ZINC000540867382 1035745681 /nfs/dbraw/zinc/74/56/81/1035745681.db2.gz GZNPHGKMOYQFAH-ZDUSSCGKSA-N -1 0 337.407 3.782 20 0 EHADRM CCCC[C@H](NC(=O)Nc1ccc(OC2CCC2)c(F)c1)C(=O)[O-] ZINC000571790029 1035754103 /nfs/dbraw/zinc/75/41/03/1035754103.db2.gz IGAWQEKYXIYKRH-AWEZNQCLSA-N -1 0 338.379 3.522 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N[C@@H]1C[C@H](C(C)C)c2ccccc21 ZINC000571884158 1035772211 /nfs/dbraw/zinc/77/22/11/1035772211.db2.gz MMIXWLOFXRDVQC-HZPDHXFCSA-N -1 0 341.407 3.830 20 0 EHADRM Cc1ccc(CN=c2[n-]nc(SCc3ccc(F)cc3)s2)o1 ZINC000571985417 1035861394 /nfs/dbraw/zinc/86/13/94/1035861394.db2.gz HSBFUYCSOJKODS-UHFFFAOYSA-N -1 0 335.429 3.905 20 0 EHADRM CN(C[C@H]1CC=CCC1)C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000613447990 1035901888 /nfs/dbraw/zinc/90/18/88/1035901888.db2.gz NBHSGDGRAWFGIH-ZDUSSCGKSA-N -1 0 345.830 3.660 20 0 EHADRM C[C@@H]1CN(C(=O)N=c2ccc(-c3ccccc3)n[n-]2)[C@H]2CCCC[C@@H]12 ZINC000541092525 1035977394 /nfs/dbraw/zinc/97/73/94/1035977394.db2.gz NEEPACDTMYRFPA-HFTRVMKXSA-N -1 0 336.439 3.608 20 0 EHADRM C[C@@H](C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)c1ccc2ccccc2c1 ZINC000541205972 1036079641 /nfs/dbraw/zinc/07/96/41/1036079641.db2.gz DRETWGVSGFSBOD-YMTYPPQLSA-N -1 0 337.419 3.657 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc2cc(F)ccc2s1 ZINC000261877976 1036114386 /nfs/dbraw/zinc/11/43/86/1036114386.db2.gz MBZPUHUGYNVTFV-BPNCWPANSA-N -1 0 347.411 3.898 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC000263116583 1036117515 /nfs/dbraw/zinc/11/75/15/1036117515.db2.gz UZPQRSDBIFUISO-BWTSREIZSA-N -1 0 341.451 3.602 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2ccn3C)c(Cl)c1 ZINC000588833387 1036147976 /nfs/dbraw/zinc/14/79/76/1036147976.db2.gz LLVFTTAIMBKOID-UHFFFAOYSA-N -1 0 334.828 3.941 20 0 EHADRM Cc1sc(Br)cc1S(=O)(=O)[N-]c1ccsc1 ZINC000088289174 1036308546 /nfs/dbraw/zinc/30/85/46/1036308546.db2.gz NKAHPZSPTYCWLK-UHFFFAOYSA-N -1 0 338.273 3.681 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccnn2[C@H](C)CC(C)C)cc1F ZINC000589270379 1036334206 /nfs/dbraw/zinc/33/42/06/1036334206.db2.gz VZPWFNGPKVQYHX-CYBMUJFWSA-N -1 0 339.436 3.739 20 0 EHADRM O=C([O-])[C@H](CC(=O)NCc1ccc2sccc2c1)c1ccccc1 ZINC000685896859 1036337073 /nfs/dbraw/zinc/33/70/73/1036337073.db2.gz ZLFPJAUPXPLEOR-MRXNPFEDSA-N -1 0 339.416 3.776 20 0 EHADRM Cc1cc(Cl)ccc1CN=c1[n-]nc(Cc2ccccc2F)o1 ZINC000464340468 1036343382 /nfs/dbraw/zinc/34/33/82/1036343382.db2.gz WAJOKBQNFFKPKY-UHFFFAOYSA-N -1 0 331.778 3.795 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)/C=C\c2cc3ccccc3o2)C1 ZINC000492849042 1036344473 /nfs/dbraw/zinc/34/44/73/1036344473.db2.gz AXSINVMYGPPDPR-QIAWRQBBSA-N -1 0 327.380 3.549 20 0 EHADRM COc1ccc(/C=C\C(=O)Nc2cc(Cl)c([O-])cc2F)cc1O ZINC000492841543 1036358434 /nfs/dbraw/zinc/35/84/34/1036358434.db2.gz PWAPSHSLXMEUBI-HYXAFXHYSA-N -1 0 337.734 3.551 20 0 EHADRM Cc1nc(=NC(=O)CC2(CCc3ccccc3)CCCC2)s[n-]1 ZINC000464421796 1036442179 /nfs/dbraw/zinc/44/21/79/1036442179.db2.gz NOZSKUSHVIXVIS-UHFFFAOYSA-N -1 0 329.469 3.790 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000541575146 1036465915 /nfs/dbraw/zinc/46/59/15/1036465915.db2.gz KMCOCWLBXAMIGU-FHLIZLRMSA-N -1 0 347.455 3.730 20 0 EHADRM CC(C)(C)[C@H]1C[C@@H](N=c2[n-]nc(Cc3ccc(F)cc3)s2)CCO1 ZINC000541577976 1036471384 /nfs/dbraw/zinc/47/13/84/1036471384.db2.gz NCYASYJOIZNCSP-LSDHHAIUSA-N -1 0 349.475 3.696 20 0 EHADRM CC[C@@H](CC(=O)N[C@](C)(CC(=O)[O-])C(C)C)c1ccc(OC)cc1 ZINC000263159704 1036537429 /nfs/dbraw/zinc/53/74/29/1036537429.db2.gz ZSLQCKMKDVGEIN-IFXJQAMLSA-N -1 0 335.444 3.585 20 0 EHADRM CC(C)[C@@H](CNC(=O)Nc1cccc(N2CCCCCC2)c1)C(=O)[O-] ZINC000653539668 1036579984 /nfs/dbraw/zinc/57/99/84/1036579984.db2.gz HIQIWBSBWMGEAF-QGZVFWFLSA-N -1 0 347.459 3.545 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1 ZINC000013259429 1036601213 /nfs/dbraw/zinc/60/12/13/1036601213.db2.gz AHVIKCCHPIXGKZ-UHFFFAOYSA-N -1 0 334.375 3.997 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000263175393 1036607743 /nfs/dbraw/zinc/60/77/43/1036607743.db2.gz LCJYZKLVPGGANY-ABAIWWIYSA-N -1 0 345.345 3.567 20 0 EHADRM CCCCN(C)c1ccc(C(=O)N=c2nc(C(C)(C)C)[n-]s2)cc1 ZINC000589936306 1036667691 /nfs/dbraw/zinc/66/76/91/1036667691.db2.gz PSAKQQXPAKOVKH-UHFFFAOYSA-N -1 0 346.500 3.746 20 0 EHADRM COc1ccc(CCCCC(=O)N=c2nc(C(C)(C)C)[n-]s2)cc1 ZINC000589935692 1036668099 /nfs/dbraw/zinc/66/80/99/1036668099.db2.gz IBQOKUIDAGSJRQ-UHFFFAOYSA-N -1 0 347.484 3.618 20 0 EHADRM Cc1cccc(C2(C(=O)N=c3nc(C(C)(C)C)[n-]s3)CCC2)c1 ZINC000589937647 1036686928 /nfs/dbraw/zinc/68/69/28/1036686928.db2.gz XRCDJPDLFHCBFY-UHFFFAOYSA-N -1 0 329.469 3.626 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C=Cc2nc3ccccc3o2)c1 ZINC000493118986 1036731835 /nfs/dbraw/zinc/73/18/35/1036731835.db2.gz NIUFJZKVKZYDAI-MDZDMXLPSA-N -1 0 336.347 3.778 20 0 EHADRM CC[C@H](CC(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-])c1ccc(OC)cc1 ZINC000263270507 1036741962 /nfs/dbraw/zinc/74/19/62/1036741962.db2.gz LYWIKJKYAAMCKA-CFLQYTFWSA-N -1 0 347.455 3.729 20 0 EHADRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N([C@@H](C)C(C)C)C3CC3)n2)c1 ZINC000539449172 1036772227 /nfs/dbraw/zinc/77/22/27/1036772227.db2.gz YHSHZBVDEIMOEF-ZDUSSCGKSA-N -1 0 345.418 3.675 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1-c1cc(F)ccc1OC[C@H]1CCOC1 ZINC000519000303 1036785864 /nfs/dbraw/zinc/78/58/64/1036785864.db2.gz AEVIIRVFPGDNBG-ZDUSSCGKSA-N -1 0 330.355 3.915 20 0 EHADRM CC(C)C[C@H](NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000263355694 1036805528 /nfs/dbraw/zinc/80/55/28/1036805528.db2.gz QTMUZURYPKFXLV-PVAVHDDUSA-N -1 0 332.444 3.526 20 0 EHADRM CC[C@H](C)CN(CC)C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263375685 1036822306 /nfs/dbraw/zinc/82/23/06/1036822306.db2.gz BUAJLJVLWCGCPN-RDJZCZTQSA-N -1 0 334.460 3.540 20 0 EHADRM Cc1oc([C@@H](C)N(C)Cc2ccc(Br)o2)cc1C(=O)[O-] ZINC000580084932 1036832969 /nfs/dbraw/zinc/83/29/69/1036832969.db2.gz FVSXDNLLLDYSMG-MRVPVSSYSA-N -1 0 342.189 3.835 20 0 EHADRM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(C(C)(C)C)no1 ZINC000462370150 1036879276 /nfs/dbraw/zinc/87/92/76/1036879276.db2.gz NAKADQXFSLUOKJ-UHFFFAOYSA-N -1 0 328.821 3.735 20 0 EHADRM Brc1cccc(CN=c2[n-]nc(CC3CCCC3)o2)c1 ZINC000539608578 1036971135 /nfs/dbraw/zinc/97/11/35/1036971135.db2.gz SFLPAQDMIVYOMP-UHFFFAOYSA-N -1 0 336.233 3.599 20 0 EHADRM CCOc1cc(-c2ccccc2)sc1C(=O)N[C@H](C)[C@H](C)C(=O)[O-] ZINC000263483548 1036975633 /nfs/dbraw/zinc/97/56/33/1036975633.db2.gz VANNNTHNHYMPQX-NWDGAFQWSA-N -1 0 347.436 3.653 20 0 EHADRM Cc1cc(C)c2nc(C3CC3)cc(C(=O)N[C@@H](C)[C@H](C)C(=O)[O-])c2c1 ZINC000263501641 1037015676 /nfs/dbraw/zinc/01/56/76/1037015676.db2.gz ZDJPMYCBKDLJRS-STQMWFEESA-N -1 0 340.423 3.568 20 0 EHADRM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)[N-]OCCC(F)(F)F ZINC000162818173 1037047444 /nfs/dbraw/zinc/04/74/44/1037047444.db2.gz UGOTWWUTDSMMKE-LLVKDONJSA-N -1 0 333.350 3.752 20 0 EHADRM c1csc([C@H](N=c2[n-]c(-c3ccccc3)no2)c2ccccc2)n1 ZINC000590924583 1037125405 /nfs/dbraw/zinc/12/54/05/1037125405.db2.gz BVHAKBORHNQTTP-OAHLLOKOSA-N -1 0 334.404 3.817 20 0 EHADRM CCSc1n[n-]c(=NC(=O)c2ccc(-c3ccccc3)o2)s1 ZINC000542198429 1037155222 /nfs/dbraw/zinc/15/52/22/1037155222.db2.gz QFLMIZWTTZBEPW-UHFFFAOYSA-N -1 0 331.422 3.584 20 0 EHADRM Cc1cc(-c2ccc(O[C@H](C)C(=O)[O-])cc2)ccc1O[C@@H]1CCOC1 ZINC000573022218 1037157407 /nfs/dbraw/zinc/15/74/07/1037157407.db2.gz XCZPYSTUVXJXTL-RDTXWAMCSA-N -1 0 342.391 3.682 20 0 EHADRM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000263581788 1037171952 /nfs/dbraw/zinc/17/19/52/1037171952.db2.gz XQIBBHXNCVVCCB-GMNCBBECSA-N -1 0 343.467 3.981 20 0 EHADRM Cn1cc(CN=c2[n-]nc(C(C)(C)C)s2)c(C2CCCCC2)n1 ZINC000542212750 1037173115 /nfs/dbraw/zinc/17/31/15/1037173115.db2.gz NEELQVICULFEGL-UHFFFAOYSA-N -1 0 333.505 3.651 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)CSc1ccc(C(C)(C)C)cc1 ZINC000089287447 1037213644 /nfs/dbraw/zinc/21/36/44/1037213644.db2.gz ZCFBMVZYOCJHOX-UHFFFAOYSA-N -1 0 327.471 3.549 20 0 EHADRM O=C([O-])C1(C(=O)N[C@@H]2CCSc3ccc(F)cc32)CC2(CCC2)C1 ZINC000659120103 1037310744 /nfs/dbraw/zinc/31/07/44/1037310744.db2.gz YXHOKLRMQUDKNI-CYBMUJFWSA-N -1 0 349.427 3.514 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N(C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000659123166 1037323557 /nfs/dbraw/zinc/32/35/57/1037323557.db2.gz USNZPTUZTYTALV-JTQLQIEISA-N -1 0 335.787 3.643 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000659128280 1037329749 /nfs/dbraw/zinc/32/97/49/1037329749.db2.gz RWGIVBQCHFOCNH-SJLPKXTDSA-N -1 0 337.419 3.911 20 0 EHADRM Cc1cc(C)n(-c2cccc(NC(=O)c3cc(F)c([O-])c(F)c3)c2)n1 ZINC000177058886 1037347565 /nfs/dbraw/zinc/34/75/65/1037347565.db2.gz SFZOPZHNVNVKPV-UHFFFAOYSA-N -1 0 343.333 3.725 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@H]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000659143122 1037363123 /nfs/dbraw/zinc/36/31/23/1037363123.db2.gz NJFMKAFSEXMSBX-MJGOQNOKSA-N -1 0 337.419 3.911 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)[C@@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000659144218 1037368765 /nfs/dbraw/zinc/36/87/65/1037368765.db2.gz TZMLMVNPCHQOBH-RBUKOAKNSA-N -1 0 343.467 3.749 20 0 EHADRM CC[C@@H](Cc1ccc(F)cc1)NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000659166054 1037396811 /nfs/dbraw/zinc/39/68/11/1037396811.db2.gz DHNXHEOAXSWENH-DQPZFDDXSA-N -1 0 335.419 3.544 20 0 EHADRM CCc1ccc(C(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)s1 ZINC000058039981 1037398850 /nfs/dbraw/zinc/39/88/50/1037398850.db2.gz PDFSHPJOWKFEDE-UHFFFAOYSA-N -1 0 347.461 3.932 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N(C)C[C@@H]2CC=CCC2)n1 ZINC000542460367 1037401896 /nfs/dbraw/zinc/40/18/96/1037401896.db2.gz VTCDKEQLQSZCEX-OAHLLOKOSA-N -1 0 339.439 3.569 20 0 EHADRM Cc1cccc(C)c1[C@H]1CCCN1C(=O)C1CCC(C(=O)[O-])CC1 ZINC000659168521 1037406554 /nfs/dbraw/zinc/40/65/54/1037406554.db2.gz XDOMXNPKYLIJFT-OFLPRAFFSA-N -1 0 329.440 3.858 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCCC[C@@H]1Cc1ccccc1F ZINC000659162149 1037407465 /nfs/dbraw/zinc/40/74/65/1037407465.db2.gz ADELEIIYGHMXEJ-CQSZACIVSA-N -1 0 345.370 3.663 20 0 EHADRM CCCCCS(=O)(=O)[N-][C@@H](CCc1ccccc1)C(F)(F)F ZINC000573254526 1037432296 /nfs/dbraw/zinc/43/22/96/1037432296.db2.gz KVYFGZAWJISABT-AWEZNQCLSA-N -1 0 337.407 3.660 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)C[C@H](C)c2ccccc2F)n1 ZINC000659186100 1037437521 /nfs/dbraw/zinc/43/75/21/1037437521.db2.gz FXWWGFJTKYMEBR-WFASDCNBSA-N -1 0 347.390 3.580 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)C[C@H](C)c2cccc(F)c2)n1 ZINC000659186095 1037438655 /nfs/dbraw/zinc/43/86/55/1037438655.db2.gz FWXRUKPWMGJAAY-SWLSCSKDSA-N -1 0 347.390 3.580 20 0 EHADRM CCCOc1cccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)c1 ZINC000659190285 1037446785 /nfs/dbraw/zinc/44/67/85/1037446785.db2.gz AEHBFDKYHNJPHI-OKZBNKHCSA-N -1 0 345.439 3.581 20 0 EHADRM CCCOc1cccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)c1 ZINC000659190287 1037447018 /nfs/dbraw/zinc/44/70/18/1037447018.db2.gz AEHBFDKYHNJPHI-SQNIBIBYSA-N -1 0 345.439 3.581 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)C(C)(C)c2ccc(C)cc2)n1 ZINC000659188141 1037451120 /nfs/dbraw/zinc/45/11/20/1037451120.db2.gz SXLVJYXMFJFFQV-OAHLLOKOSA-N -1 0 343.427 3.534 20 0 EHADRM C[C@]12CC3CC(C(=O)NC[C@@H](CC(=O)[O-])C4CC4)(C1)C[C@@](C)(C3)C2 ZINC000659209999 1037479936 /nfs/dbraw/zinc/47/99/36/1037479936.db2.gz QJIIMYWPQOVBLX-DVJXLTIASA-N -1 0 333.472 3.600 20 0 EHADRM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000007405623 1037501236 /nfs/dbraw/zinc/50/12/36/1037501236.db2.gz OSVXDZYYOCLXOB-UHFFFAOYSA-N -1 0 333.306 3.954 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)c(F)c1 ZINC000659226159 1037522363 /nfs/dbraw/zinc/52/23/63/1037522363.db2.gz WCHOVNLKGTTXJX-SKDRFNHKSA-N -1 0 347.308 3.509 20 0 EHADRM Cc1ccc(C)c(OCCCCC(=O)N[C@H]2CCC[C@]2(C)C(=O)[O-])c1 ZINC000659234214 1037545003 /nfs/dbraw/zinc/54/50/03/1037545003.db2.gz FPOPAGVKTPHGGX-PXNSSMCTSA-N -1 0 347.455 3.612 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CO[C@@H]2CCCC[C@@H]2CC)c1 ZINC000462925114 1037550959 /nfs/dbraw/zinc/55/09/59/1037550959.db2.gz NMXJFVAEPHJLIR-SCLBCKFNSA-N -1 0 333.428 3.909 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)c1ccccc1CCC(F)(F)F ZINC000659241685 1037565958 /nfs/dbraw/zinc/56/59/58/1037565958.db2.gz JUXGYISLFRNSCK-CZUORRHYSA-N -1 0 343.345 3.555 20 0 EHADRM COc1cccc(S(=O)(=O)[N-]C(=O)c2ccc(C(C)C)cc2)c1 ZINC000058186114 1037570027 /nfs/dbraw/zinc/57/00/27/1037570027.db2.gz UYOHOEBYEDQMRA-UHFFFAOYSA-N -1 0 333.409 3.512 20 0 EHADRM CC(C)n1cncc1CN=c1[n-]nc(Cc2ccc3ccccc3c2)o1 ZINC000573676955 1037658971 /nfs/dbraw/zinc/65/89/71/1037658971.db2.gz PJMOIAMBFJYSPL-UHFFFAOYSA-N -1 0 347.422 3.625 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1n[nH]c(-c2ccccc2)c1C ZINC000540208648 1037709354 /nfs/dbraw/zinc/70/93/54/1037709354.db2.gz HGCGIZHGKAGRRD-UHFFFAOYSA-N -1 0 333.438 3.556 20 0 EHADRM Cc1ccc(S[C@@H](C)C(=O)NC2(CC(=O)[O-])CCCCC2)cc1 ZINC000532593476 1037725562 /nfs/dbraw/zinc/72/55/62/1037725562.db2.gz QYEQMHFFYRUIPJ-AWEZNQCLSA-N -1 0 335.469 3.769 20 0 EHADRM COc1ccc(NC(=O)CC2(C(=O)[O-])CCCCC2)cc1SC ZINC000573692607 1037747091 /nfs/dbraw/zinc/74/70/91/1037747091.db2.gz XCESRPGBWCFCMM-UHFFFAOYSA-N -1 0 337.441 3.781 20 0 EHADRM CC(C)c1nc2n(n1)CCC[C@H]2N=c1nc(C2CCCCC2)[n-]s1 ZINC000573829692 1037762005 /nfs/dbraw/zinc/76/20/05/1037762005.db2.gz PFFJFLBXLGLPML-CYBMUJFWSA-N -1 0 346.504 3.670 20 0 EHADRM O=C([N-]c1c(F)cccc1F)c1nc(-c2ccc(Cl)cc2)no1 ZINC001212170670 1037793370 /nfs/dbraw/zinc/79/33/70/1037793370.db2.gz ICZFLSROTNCTBZ-UHFFFAOYSA-N -1 0 335.697 3.921 20 0 EHADRM CC(C)(C)c1ccc(-c2ccc(C(=O)N=c3[n-]ncs3)o2)cc1 ZINC000463135229 1037798707 /nfs/dbraw/zinc/79/87/07/1037798707.db2.gz WAJHFWRDAYKBMA-UHFFFAOYSA-N -1 0 327.409 3.770 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000115722497 1037830111 /nfs/dbraw/zinc/83/01/11/1037830111.db2.gz LNAAXOYGHUMUQA-UHFFFAOYSA-N -1 0 349.789 3.868 20 0 EHADRM Cc1cc(Br)c(CN(CC(=O)[O-])CC(C)(C)C)s1 ZINC000665350841 1037874308 /nfs/dbraw/zinc/87/43/08/1037874308.db2.gz GMARHVHVFUAQJK-UHFFFAOYSA-N -1 0 334.279 3.752 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N(C)C/C(C)=C/c2ccccc2)s1 ZINC000494177033 1037882423 /nfs/dbraw/zinc/88/24/23/1037882423.db2.gz UEVQHHQNVVANOI-WYMLVPIESA-N -1 0 344.484 3.870 20 0 EHADRM O=C([O-])CC1(CC(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)CCCCC1 ZINC000532614307 1037921227 /nfs/dbraw/zinc/92/12/27/1037921227.db2.gz KUWGIXAFZDVSOM-QKLQHJQFSA-N -1 0 341.451 3.504 20 0 EHADRM CCCN=c1[n-]nc(SCCOc2ccc(SC)cc2)s1 ZINC000463261820 1037944624 /nfs/dbraw/zinc/94/46/24/1037944624.db2.gz XNCDJNAUTIZESM-UHFFFAOYSA-N -1 0 341.527 3.675 20 0 EHADRM Cc1cc2cc(NC(=O)N3CCc4ccccc4[C@@H]3C(=O)[O-])ccc2[nH]1 ZINC000573991748 1037967047 /nfs/dbraw/zinc/96/70/47/1037967047.db2.gz TZUINCCIMNBNCS-GOSISDBHSA-N -1 0 349.390 3.692 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)CC(C)(C)C(=O)[O-] ZINC000573954341 1037974455 /nfs/dbraw/zinc/97/44/55/1037974455.db2.gz CLFUZENJYYFKTF-SECBINFHSA-N -1 0 332.227 3.542 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@@H]2CCC[C@@H]2C(=O)[O-])cc1Cl ZINC000328435553 1038005013 /nfs/dbraw/zinc/00/50/13/1038005013.db2.gz USYWAQATVWKZGW-NEPJUHHUSA-N -1 0 325.792 3.567 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)NC[C@H](C)C2CC2)s1)c1ccccc1 ZINC000592505715 1038013006 /nfs/dbraw/zinc/01/30/06/1038013006.db2.gz BOVBIKKJNPLPFJ-SWLSCSKDSA-N -1 0 344.484 3.670 20 0 EHADRM Cc1oc(CN(C)C(=O)/C=C/c2ccc([C@@H]3C[C@@H]3C)o2)cc1C(=O)[O-] ZINC000492144306 1038034103 /nfs/dbraw/zinc/03/41/03/1038034103.db2.gz ZZDSCELKYLKPCI-RPZXQHFASA-N -1 0 343.379 3.674 20 0 EHADRM CC[C@@H]1CC[C@@H](C)N1C(=O)c1cc(F)cc(Br)c1[O-] ZINC000416189704 1038291706 /nfs/dbraw/zinc/29/17/06/1038291706.db2.gz LENCBAJTYJTQSQ-PSASIEDQSA-N -1 0 330.197 3.697 20 0 EHADRM Clc1ccccc1CN=c1[n-]nc(CCCc2ccccc2)o1 ZINC000538506977 1038346795 /nfs/dbraw/zinc/34/67/95/1038346795.db2.gz RGYQOWKIZHNDDX-UHFFFAOYSA-N -1 0 327.815 3.932 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C/C=C/c1ccc(F)cc1)C1CCCCC1 ZINC000538514769 1038353610 /nfs/dbraw/zinc/35/36/10/1038353610.db2.gz RBYUFGUHGUTKKB-LAQIPUCWSA-N -1 0 333.403 3.769 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCc1ccc(Cl)cc1)C1CCCCC1 ZINC000538515183 1038355068 /nfs/dbraw/zinc/35/50/68/1038355068.db2.gz KPBJVDAXQUELAG-MRXNPFEDSA-N -1 0 337.847 3.812 20 0 EHADRM O=C([O-])C1(CNC(=O)c2ccc3ccc(Cl)cc3n2)CCCCC1 ZINC000431861445 1038491725 /nfs/dbraw/zinc/49/17/25/1038491725.db2.gz LRDQELQKEZIKHQ-UHFFFAOYSA-N -1 0 346.814 3.653 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2ccc(OC3CCCC3)cc2)cc1 ZINC000238133180 1038614037 /nfs/dbraw/zinc/61/40/37/1038614037.db2.gz YJJUQINHQGNTPO-UHFFFAOYSA-N -1 0 339.391 3.636 20 0 EHADRM CC[C@@H](C)c1n[n-]c(=Nc2cccc(OC)c2)n1C[C@@H]1CCCCO1 ZINC000461804823 1038616030 /nfs/dbraw/zinc/61/60/30/1038616030.db2.gz DJTVFJNQDCYMDY-PBHICJAKSA-N -1 0 344.459 3.535 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)c2cc(-c3ccccc3)ns2)s1 ZINC000461880543 1038650882 /nfs/dbraw/zinc/65/08/82/1038650882.db2.gz GIRCFTYGCGTSIW-UHFFFAOYSA-N -1 0 344.465 3.534 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)CSc1cccc(C(F)(F)F)c1 ZINC000236829491 1038653747 /nfs/dbraw/zinc/65/37/47/1038653747.db2.gz QQVLMTAEMCDCFK-UHFFFAOYSA-N -1 0 349.374 3.557 20 0 EHADRM O=Cc1ccc(C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)[nH]1 ZINC000182977066 1038656487 /nfs/dbraw/zinc/65/64/87/1038656487.db2.gz DFVUXROJZRKGTE-UHFFFAOYSA-N -1 0 333.558 3.745 20 0 EHADRM CC(C)CCc1cc([N-]S(=O)(=O)c2ccc(Cl)s2)n[nH]1 ZINC000468953924 1038673850 /nfs/dbraw/zinc/67/38/50/1038673850.db2.gz NHDSYDAKGSVSJB-UHFFFAOYSA-N -1 0 333.866 3.514 20 0 EHADRM Cc1ccc2sc(C(=O)N3CC[C@H](C(=O)[O-])[C@@H]4CCC[C@H]43)cc2c1 ZINC000910246108 1038787528 /nfs/dbraw/zinc/78/75/28/1038787528.db2.gz MUPRUMQWVKGCDP-SOUVJXGZSA-N -1 0 343.448 3.925 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@@H]3CCc4ccc(Cl)cc43)(CC1)CC2 ZINC000910256561 1038791600 /nfs/dbraw/zinc/79/16/00/1038791600.db2.gz ZEPGPKKAKYVTPT-VNCLNFNDSA-N -1 0 347.842 3.869 20 0 EHADRM Cc1ccc(-c2ccccc2NC(=O)CCSCC(=O)[O-])s1 ZINC000910255355 1038791745 /nfs/dbraw/zinc/79/17/45/1038791745.db2.gz DZEOETJNIKKABY-UHFFFAOYSA-N -1 0 335.450 3.870 20 0 EHADRM CCc1ccc(N(CC2CC2)C(=O)c2ccoc2CC(=O)[O-])cc1 ZINC000910270208 1038793494 /nfs/dbraw/zinc/79/34/94/1038793494.db2.gz OPOAUNCFNJCFDF-UHFFFAOYSA-N -1 0 327.380 3.526 20 0 EHADRM CCOC(=O)c1ncc(Cl)cc1Nc1ccc(C(=O)[O-])c(C)c1 ZINC001211652538 1038833947 /nfs/dbraw/zinc/83/39/47/1038833947.db2.gz CXANADWACIICAN-UHFFFAOYSA-N -1 0 334.759 3.662 20 0 EHADRM C[C@H](Nc1cc(C2CC2)nc(C2CC2)n1)c1ncc(C(=O)[O-])s1 ZINC000910320828 1038846620 /nfs/dbraw/zinc/84/66/20/1038846620.db2.gz YVBQPDYJILVROQ-QMMMGPOBSA-N -1 0 330.413 3.559 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)c1csc(C3CCCCC3)n1)CC2 ZINC000910397843 1038881009 /nfs/dbraw/zinc/88/10/09/1038881009.db2.gz FCTAPMAWMJSAHF-KDOFPFPSSA-N -1 0 348.468 3.660 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1Cl ZINC000910404237 1038886019 /nfs/dbraw/zinc/88/60/19/1038886019.db2.gz RNBJNMWABWATBB-CYBMUJFWSA-N -1 0 345.773 3.798 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1C ZINC000539398686 1038891136 /nfs/dbraw/zinc/89/11/36/1038891136.db2.gz AWZWFLSXBYIZCT-SECBINFHSA-N -1 0 345.827 3.756 20 0 EHADRM CC1(C)[C@H](c2ccc(F)c(F)c2)CCN1C(=O)c1cc(C(=O)[O-])co1 ZINC000910412436 1038898552 /nfs/dbraw/zinc/89/85/52/1038898552.db2.gz WYULKAUZLZJDGZ-LBPRGKRZSA-N -1 0 349.333 3.664 20 0 EHADRM C[C@@H]1CCC[C@@H](C)N(C(=O)N=c2[n-]nc(-c3ccccc3)s2)C1 ZINC000479944620 1038922181 /nfs/dbraw/zinc/92/21/81/1038922181.db2.gz BTMKZGMSPOBFJN-CHWSQXEVSA-N -1 0 330.457 3.669 20 0 EHADRM CCN(CC1CCC1)C(=O)N=c1[n-]nc(-c2cc(F)ccc2C)s1 ZINC000432727025 1038939675 /nfs/dbraw/zinc/93/96/75/1038939675.db2.gz UOFFVNVECGQNMZ-UHFFFAOYSA-N -1 0 348.447 3.728 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN1C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000910505770 1038952924 /nfs/dbraw/zinc/95/29/24/1038952924.db2.gz LTHNUUVKQJMRNH-JARZOMNASA-N -1 0 325.364 3.529 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)C(C)(C)N1C(=O)c1csc(C(=O)[O-])n1 ZINC000910535614 1038957168 /nfs/dbraw/zinc/95/71/68/1038957168.db2.gz IPVHOKBOGQSFMZ-DGCLKSJQSA-N -1 0 344.436 3.638 20 0 EHADRM C[C@H]1CCN(C(=O)CC2CCC(C(=O)[O-])CC2)[C@H]1c1ccccc1 ZINC000910544121 1038963149 /nfs/dbraw/zinc/96/31/49/1038963149.db2.gz HGUBLSJBWVDNMA-PHZSVIKTSA-N -1 0 329.440 3.877 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N[C@H](CC(=O)[O-])C2CCCC2)c1 ZINC000910572585 1038967541 /nfs/dbraw/zinc/96/75/41/1038967541.db2.gz VFCGLDUFOHMCOJ-CQSZACIVSA-N -1 0 341.860 3.825 20 0 EHADRM Clc1ccc(CN=c2[n-]nc(-c3ccccn3)s2)cc1Cl ZINC000432741273 1039003227 /nfs/dbraw/zinc/00/32/27/1039003227.db2.gz FPQCVYDGJQDSGF-UHFFFAOYSA-N -1 0 337.235 3.941 20 0 EHADRM C[C@]12CC3CC(C(=O)Nc4ncc(CC(=O)[O-])s4)(C1)C[C@@](C)(C3)C2 ZINC000910673915 1039016072 /nfs/dbraw/zinc/01/60/72/1039016072.db2.gz JEZWVUAWENTAPF-YVBDQSFBSA-N -1 0 348.468 3.705 20 0 EHADRM O=C([O-])c1cc(NC(=O)C2(C3CC3)CCC2)ccc1Br ZINC000910703696 1039027065 /nfs/dbraw/zinc/02/70/65/1039027065.db2.gz ZFPLXANZFZNDAU-UHFFFAOYSA-N -1 0 338.201 3.666 20 0 EHADRM CC(C)c1sc(NC(=O)CC(C)(C)C(F)(F)F)nc1C(=O)[O-] ZINC000910705549 1039027735 /nfs/dbraw/zinc/02/77/35/1039027735.db2.gz IYPJGWHESIGNNU-UHFFFAOYSA-N -1 0 338.351 3.882 20 0 EHADRM Fc1cc(F)c(CN=c2[n-]nc(-c3ccccc3)s2)c(F)c1F ZINC000485413390 1039039155 /nfs/dbraw/zinc/03/91/55/1039039155.db2.gz VHKWHPMSNZHODA-UHFFFAOYSA-N -1 0 339.317 3.796 20 0 EHADRM C[C@]1(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)CCc2ccccc21 ZINC000910740806 1039049163 /nfs/dbraw/zinc/04/91/63/1039049163.db2.gz BGSQDHRVWJTDCL-SFHVURJKSA-N -1 0 342.420 3.561 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)[C@H]2CCC=CCCC2)nc1C(=O)[O-] ZINC000910718821 1039054812 /nfs/dbraw/zinc/05/48/12/1039054812.db2.gz CAPMUXNAIPLEOU-KBPBESRZSA-N -1 0 348.468 3.950 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000325364096 1039070482 /nfs/dbraw/zinc/07/04/82/1039070482.db2.gz AFQJJGCKSUCIJJ-UHFFFAOYSA-N -1 0 333.359 3.645 20 0 EHADRM O=C(C[C@@H]1C=CCCC1)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000488307559 1039085651 /nfs/dbraw/zinc/08/56/51/1039085651.db2.gz ATKPNTLYRYATKQ-LLVKDONJSA-N -1 0 333.844 3.965 20 0 EHADRM C[C@@H](CC(=O)NC1CC(CC(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC000910809446 1039104702 /nfs/dbraw/zinc/10/47/02/1039104702.db2.gz DQBXZQBDIHMEJM-IFQILLTASA-N -1 0 343.345 3.569 20 0 EHADRM Cc1cccc([C@@H]([N-]S(=O)(=O)Cc2ccccc2)C(F)(F)F)c1 ZINC000512431611 1039109397 /nfs/dbraw/zinc/10/93/97/1039109397.db2.gz HQZIJARZHVJGKP-OAHLLOKOSA-N -1 0 343.370 3.718 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2Cl)cc1 ZINC000500648794 1039116136 /nfs/dbraw/zinc/11/61/36/1039116136.db2.gz IUTBVVQJNUKRSD-RYUDHWBXSA-N -1 0 333.746 3.920 20 0 EHADRM CO[C@@H](C)c1nc(=NC(C)(C)Cc2ccccc2Cl)s[n-]1 ZINC000509749319 1039118477 /nfs/dbraw/zinc/11/84/77/1039118477.db2.gz CXMIHWOAIMCBLT-JTQLQIEISA-N -1 0 325.865 3.754 20 0 EHADRM C[C@H]1CSC[C@H]1N=c1[n-]c(C(F)(F)F)c(Br)s1 ZINC000418975978 1039193026 /nfs/dbraw/zinc/19/30/26/1039193026.db2.gz ULBUUOIKTSGVTG-CRCLSJGQSA-N -1 0 347.225 3.510 20 0 EHADRM O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)Nc1ccc(-c2ccccc2)cc1 ZINC000911081078 1039213799 /nfs/dbraw/zinc/21/37/99/1039213799.db2.gz FZKAVYHSGAUHLV-FUHWJXTLSA-N -1 0 339.391 3.562 20 0 EHADRM CCNc1ccc(C(=O)[O-])cc1NC(=O)c1cc(C)n(CC)c1C ZINC000911083129 1039214786 /nfs/dbraw/zinc/21/47/86/1039214786.db2.gz MYVKRWLQVHEBDZ-UHFFFAOYSA-N -1 0 329.400 3.507 20 0 EHADRM COc1ccc([C@@H](NC(=O)CC(C)(C)CC(=O)[O-])C2CCC2)cc1 ZINC000911062501 1039220343 /nfs/dbraw/zinc/22/03/43/1039220343.db2.gz PDWRFMFPUYJZOM-SFHVURJKSA-N -1 0 333.428 3.544 20 0 EHADRM [S-]c1cc(Br)ccc1NC1=CCC2(CC1)OCCO2 ZINC001174643576 1132422284 /nfs/dbraw/zinc/42/22/84/1132422284.db2.gz RJNXOKYILCCPMQ-UHFFFAOYSA-N -1 0 342.258 3.961 20 0 EHADRM Cn1[n-]c(C(=O)N2CCCCC[C@H]2c2ccc(Cl)cc2)cc1=O ZINC000668862150 1039283928 /nfs/dbraw/zinc/28/39/28/1039283928.db2.gz SCHYBPNCHDBQGM-HNNXBMFYSA-N -1 0 333.819 3.537 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC000488582006 1039284018 /nfs/dbraw/zinc/28/40/18/1039284018.db2.gz XYWQKTSFIMENCS-UHFFFAOYSA-N -1 0 345.449 3.568 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)Nc2cccc(N3CCCCC3)c2)o1 ZINC000911247492 1039297617 /nfs/dbraw/zinc/29/76/17/1039297617.db2.gz GZNGUXBTKOTUMN-CSKARUKUSA-N -1 0 340.379 3.620 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)CCCC1 ZINC000911319611 1039328932 /nfs/dbraw/zinc/32/89/32/1039328932.db2.gz KDHQIMFJDHMMJZ-UHFFFAOYSA-N -1 0 336.819 3.524 20 0 EHADRM CC(C)Oc1ccc(NC(=O)C2(C(=O)[O-])CCCC2)c(Cl)c1 ZINC000911473262 1039375490 /nfs/dbraw/zinc/37/54/90/1039375490.db2.gz NVGZRDOZISUEJI-UHFFFAOYSA-N -1 0 325.792 3.711 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)o1 ZINC000911570377 1039418411 /nfs/dbraw/zinc/41/84/11/1039418411.db2.gz IBXQNDKABZKVOB-LRGSNQRWSA-N -1 0 343.354 3.583 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC000911572985 1039418611 /nfs/dbraw/zinc/41/86/11/1039418611.db2.gz ODVNSRMEVMZTDN-FLMHQWFMSA-N -1 0 347.430 3.859 20 0 EHADRM C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1ccccc1CCC(=O)[O-] ZINC000911590274 1039433309 /nfs/dbraw/zinc/43/33/09/1039433309.db2.gz KDQUYVRBCBHYQP-WCQYABFASA-N -1 0 343.345 3.507 20 0 EHADRM C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000911592548 1039436154 /nfs/dbraw/zinc/43/61/54/1039436154.db2.gz TZZJDDIVZUPZCG-BXUZGUMPSA-N -1 0 343.345 3.507 20 0 EHADRM Cc1ccccc1CO[C@H](C)C(=O)Nc1cc(C(=O)[O-])c(C)cc1F ZINC000911688764 1039462839 /nfs/dbraw/zinc/46/28/39/1039462839.db2.gz MOQVULUTYGLGLF-CYBMUJFWSA-N -1 0 345.370 3.685 20 0 EHADRM Cc1cc(F)c(NC(=O)C[C@]23CCCC[C@H]2C3(F)F)cc1C(=O)[O-] ZINC000911690173 1039463057 /nfs/dbraw/zinc/46/30/57/1039463057.db2.gz YBKPJSPGNAXFLB-CZUORRHYSA-N -1 0 341.329 3.986 20 0 EHADRM CCC[C@@H]1C[C@@H](C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)CCO1 ZINC000911738379 1039479036 /nfs/dbraw/zinc/47/90/36/1039479036.db2.gz REXVWSIPFOLGKW-UONOGXRCSA-N -1 0 349.427 3.706 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)/C=C/c1nc2ccccc2s1 ZINC000238104243 1039492141 /nfs/dbraw/zinc/49/21/41/1039492141.db2.gz VNWDUYAVUILGIP-VAWYXSNFSA-N -1 0 346.452 3.851 20 0 EHADRM CCC[C@@](C)(NC(=O)N[C@H](C)c1cc2ccccc2s1)C(=O)[O-] ZINC000554603040 1039513451 /nfs/dbraw/zinc/51/34/51/1039513451.db2.gz GDZZUNJFDVVRNS-PIGZYNQJSA-N -1 0 334.441 3.905 20 0 EHADRM CC(C)C[C@@H](NC(=O)N[C@H](C)c1cc2ccccc2s1)C(=O)[O-] ZINC000554602981 1039513582 /nfs/dbraw/zinc/51/35/82/1039513582.db2.gz CYLQGJKGEINQQD-DGCLKSJQSA-N -1 0 334.441 3.761 20 0 EHADRM COc1ccc(Br)c(Nc2ccc(C(=O)[O-])c(C)c2)n1 ZINC001211653026 1039534375 /nfs/dbraw/zinc/53/43/75/1039534375.db2.gz XIZALPWSNBTQKD-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM C[C@H](NC(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1)[C@H](C)C(=O)[O-] ZINC000659152462 1039597737 /nfs/dbraw/zinc/59/77/37/1039597737.db2.gz HEGRVWPXCYQVBW-DCGLDWPTSA-N -1 0 345.826 3.697 20 0 EHADRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N3CC(C)(C)[C@@H]3C(C)C)n2)c1 ZINC000480496798 1039604194 /nfs/dbraw/zinc/60/41/94/1039604194.db2.gz WVORJATVIUGHFU-KRWDZBQOSA-N -1 0 345.418 3.532 20 0 EHADRM COc1c(NC(=O)c2ccc(OC3CCC3)cc2)cccc1C(=O)[O-] ZINC000906503323 1039620872 /nfs/dbraw/zinc/62/08/72/1039620872.db2.gz WXPYFWLHLLTSGA-UHFFFAOYSA-N -1 0 341.363 3.577 20 0 EHADRM Clc1cccc(CCN=c2[n-]nc(-c3ccon3)s2)c1Cl ZINC000552961684 1039670752 /nfs/dbraw/zinc/67/07/52/1039670752.db2.gz NCNXVWZQFDEIQE-UHFFFAOYSA-N -1 0 341.223 3.576 20 0 EHADRM Cc1nc(C(=O)NC(c2ccccc2)c2ccccc2)ccc1C(=O)[O-] ZINC000448546074 1039686450 /nfs/dbraw/zinc/68/64/50/1039686450.db2.gz UHFQFBOTOJXPNQ-UHFFFAOYSA-N -1 0 346.386 3.608 20 0 EHADRM Cc1cc(NC(=O)Cc2c[nH]c3cc(F)ccc23)cc(C(=O)[O-])c1C ZINC000485936073 1039714094 /nfs/dbraw/zinc/71/40/94/1039714094.db2.gz WIICQEWWQCQHOE-UHFFFAOYSA-N -1 0 340.354 3.803 20 0 EHADRM O=C([O-])C/C(=C/c1cnccn1)c1nc2cc(Cl)ccc2s1 ZINC000554779052 1039718595 /nfs/dbraw/zinc/71/85/95/1039718595.db2.gz OEKYHHPNNCXOOG-UITAMQMPSA-N -1 0 331.784 3.755 20 0 EHADRM O=C([O-])c1ccc2oc(/C=C\c3cc(-n4ccnc4)cs3)nc2c1 ZINC000485974373 1039741120 /nfs/dbraw/zinc/74/11/20/1039741120.db2.gz HJARVMSSDIGFNQ-RQOWECAXSA-N -1 0 337.360 3.944 20 0 EHADRM CC(C)CN(Cc1ccccc1)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000486025758 1039798526 /nfs/dbraw/zinc/79/85/26/1039798526.db2.gz FRMSLDNYLBSSFW-UHFFFAOYSA-N -1 0 349.434 3.876 20 0 EHADRM CSc1ccc(O)c(C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)c1 ZINC000668945592 1039817733 /nfs/dbraw/zinc/81/77/33/1039817733.db2.gz XOCMNNONFVXDHW-CQSZACIVSA-N -1 0 345.439 3.958 20 0 EHADRM COc1c(Cl)cc(Cl)cc1/C=C/c1cc(C(=O)[O-])ncn1 ZINC000534144453 1039841006 /nfs/dbraw/zinc/84/10/06/1039841006.db2.gz HCIQMQOSKJTEJS-NSCUHMNNSA-N -1 0 325.151 3.661 20 0 EHADRM CCCc1nc(C)c([N-]S(=O)(=O)C[C@@H](C)c2ccccc2)s1 ZINC000486130211 1039912452 /nfs/dbraw/zinc/91/24/52/1039912452.db2.gz ZMXQCQLOWJIECD-GFCCVEGCSA-N -1 0 338.498 3.949 20 0 EHADRM CC(/C=C\c1cc(=O)n2[nH]cnc2n1)=C/c1cccc(C(F)(F)F)c1 ZINC000486143575 1039917401 /nfs/dbraw/zinc/91/74/01/1039917401.db2.gz HEBNGICFPFLDIF-FUVGTJSASA-N -1 0 346.312 3.553 20 0 EHADRM CC(C)Cc1ccc([C@H](NC(=O)CSCC(=O)[O-])C(C)C)cc1 ZINC000549804365 1039923894 /nfs/dbraw/zinc/92/38/94/1039923894.db2.gz ROLAWNLDPTYELW-GOSISDBHSA-N -1 0 337.485 3.516 20 0 EHADRM CC(C)(C)OCCCCSc1n[n-]c(=NCC(F)(F)F)s1 ZINC000473407175 1039952149 /nfs/dbraw/zinc/95/21/49/1039952149.db2.gz IYMYBCXBUCCJPR-UHFFFAOYSA-N -1 0 343.440 3.622 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc3c[nH]nc3cc2C)c1 ZINC000479138756 1039987470 /nfs/dbraw/zinc/98/74/70/1039987470.db2.gz YSKWPHGPOGUOOM-UHFFFAOYSA-N -1 0 335.816 3.634 20 0 EHADRM Cc1cc(Br)c(CN[C@@H](C(=O)[O-])c2cccs2)s1 ZINC000417553210 1039993324 /nfs/dbraw/zinc/99/33/24/1039993324.db2.gz GXFIFZBZRPZZMJ-LLVKDONJSA-N -1 0 346.271 3.796 20 0 EHADRM CCCc1csc(CN[C@@H](CC(=O)[O-])c2ccc(F)cc2F)n1 ZINC000417564267 1040013162 /nfs/dbraw/zinc/01/31/62/1040013162.db2.gz OOOIUYJRXMDHSQ-AWEZNQCLSA-N -1 0 340.395 3.679 20 0 EHADRM COc1ccc(CNc2ccc(CCCC(=O)[O-])cc2)c(OC)c1 ZINC000417580546 1040028274 /nfs/dbraw/zinc/02/82/74/1040028274.db2.gz DBLZGVQXPGOYLI-UHFFFAOYSA-N -1 0 329.396 3.723 20 0 EHADRM CCc1ccc([C@@H](NCc2ncc(C(C)(C)C)s2)C(=O)[O-])cc1 ZINC000417580347 1040028458 /nfs/dbraw/zinc/02/84/58/1040028458.db2.gz DYJNNTYLFISZTG-MRXNPFEDSA-N -1 0 332.469 3.919 20 0 EHADRM C[C@H](CNC(=O)C1(C(=O)[O-])CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000569366573 1040034616 /nfs/dbraw/zinc/03/46/16/1040034616.db2.gz BDWKHDULTQGAMX-LLVKDONJSA-N -1 0 343.345 3.570 20 0 EHADRM Cc1ncsc1CN[C@]1(C(=O)[O-])C[C@@H](C(C)C)c2ccccc21 ZINC000417575572 1040037698 /nfs/dbraw/zinc/03/76/98/1040037698.db2.gz GGAJVVPISBQXCE-KBXCAEBGSA-N -1 0 330.453 3.665 20 0 EHADRM CCO[C@@H]1C[C@H](N=c2[n-]c(C(F)(F)F)ns2)C12CCCCC2 ZINC000553410710 1040052036 /nfs/dbraw/zinc/05/20/36/1040052036.db2.gz NWGUKJCLHVZVIN-VHSXEESVSA-N -1 0 335.395 3.519 20 0 EHADRM C[C@H](CC(=O)[O-])c1ccc(NCc2ccc(N3CCCC3)nc2)cc1 ZINC000417614854 1040084587 /nfs/dbraw/zinc/08/45/87/1040084587.db2.gz VZXKKBDBYXVQOS-OAHLLOKOSA-N -1 0 339.439 3.872 20 0 EHADRM CCOc1cccc(CNc2cc(CCC(=O)[O-])ccc2OC)c1 ZINC000417624321 1040102367 /nfs/dbraw/zinc/10/23/67/1040102367.db2.gz KHHXNOOVSICIFK-UHFFFAOYSA-N -1 0 329.396 3.723 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cccc3c2OCCC3)c1Cl ZINC000553484218 1040116974 /nfs/dbraw/zinc/11/69/74/1040116974.db2.gz JARRYGFQHHXRGN-UHFFFAOYSA-N -1 0 337.828 3.774 20 0 EHADRM Cc1ccc(F)c2oc(C(=O)N3CC[C@H](C(=O)[O-])[C@@H]4CCC[C@@H]43)cc21 ZINC000907735007 1040150842 /nfs/dbraw/zinc/15/08/42/1040150842.db2.gz DTPSJNQFXUZKFM-HUBLWGQQSA-N -1 0 345.370 3.596 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)[C@@H]1CCCC2(CC2)C1)c1cccc(F)c1 ZINC000659153312 1040192244 /nfs/dbraw/zinc/19/22/44/1040192244.db2.gz URMVZTANTLBCQX-ACJLOTCBSA-N -1 0 333.403 3.602 20 0 EHADRM CCCc1nc(=NC(=O)c2oc3ccc(Cl)cc3c2C)s[n-]1 ZINC000555123709 1040197455 /nfs/dbraw/zinc/19/74/55/1040197455.db2.gz LZUBJKCKWVEUFG-UHFFFAOYSA-N -1 0 335.816 3.873 20 0 EHADRM CC(C)Oc1ccc([C@@H](C)N=c2[n-]nc(C(F)(F)F)s2)cc1 ZINC000555147998 1040214673 /nfs/dbraw/zinc/21/46/73/1040214673.db2.gz UQQGDCFTEUIMAS-SECBINFHSA-N -1 0 331.363 3.939 20 0 EHADRM C[C@]1(CN=c2[n-]nc(-c3ccccc3)s2)OCCc2sccc21 ZINC000555139817 1040224285 /nfs/dbraw/zinc/22/42/85/1040224285.db2.gz WMSXIEKQZGQIMG-QGZVFWFLSA-N -1 0 343.477 3.589 20 0 EHADRM CC(C)(C)c1nc(=N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)s[n-]1 ZINC000489901776 1040228141 /nfs/dbraw/zinc/22/81/41/1040228141.db2.gz XRMSGMULAKMYDV-KBPBESRZSA-N -1 0 335.448 3.729 20 0 EHADRM CCC(C)(C)c1ccc(C(=O)N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@H]23)cc1 ZINC000907958302 1040247164 /nfs/dbraw/zinc/24/71/64/1040247164.db2.gz VLEJGMPLCCFSGD-NXNVCVFFSA-N -1 0 329.440 3.603 20 0 EHADRM CC(C)(CCCc1ccccc1)C(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@H]12 ZINC000907935128 1040249641 /nfs/dbraw/zinc/24/96/41/1040249641.db2.gz FSNYQLCXHJJKLW-XLAORIBOSA-N -1 0 343.467 3.651 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(OCC2CC2)cc1 ZINC000479481318 1040280240 /nfs/dbraw/zinc/28/02/40/1040280240.db2.gz GKONMIIWCLVSEO-UHFFFAOYSA-N -1 0 335.400 3.724 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)Cc1ccc(C(=O)[O-])cc1)C(C)(C)C ZINC000908119343 1040296941 /nfs/dbraw/zinc/29/69/41/1040296941.db2.gz KBYVRAALWICMIL-GOSISDBHSA-N -1 0 340.423 3.534 20 0 EHADRM CC1(C)Cc2cccc(NC(=O)N3CCCC[C@@H]3CCC(=O)[O-])c2O1 ZINC000899313417 1040313472 /nfs/dbraw/zinc/31/34/72/1040313472.db2.gz KDTAXUNHJHMKBK-CQSZACIVSA-N -1 0 346.427 3.651 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])cn1 ZINC000899317185 1040318942 /nfs/dbraw/zinc/31/89/42/1040318942.db2.gz MAHCUEDFGSJBQD-AWEZNQCLSA-N -1 0 333.432 3.630 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@@H](CO)c1ccc(Cl)cc1 ZINC000553680931 1040319555 /nfs/dbraw/zinc/31/95/55/1040319555.db2.gz IZJVQKMQZVMICL-JTQLQIEISA-N -1 0 344.169 3.553 20 0 EHADRM Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000479529181 1040330873 /nfs/dbraw/zinc/33/08/73/1040330873.db2.gz PYFZVHXMOZNPFZ-NSHDSACASA-N -1 0 333.384 3.952 20 0 EHADRM COCc1ccc(S(=O)(=O)[N-]c2cccc(C(C)(C)C)c2O)cc1 ZINC000479535078 1040347416 /nfs/dbraw/zinc/34/74/16/1040347416.db2.gz ZCYATTUNKBGLPS-UHFFFAOYSA-N -1 0 349.452 3.637 20 0 EHADRM O=C([O-])C[C@H](Cc1ccccc1)NC(=O)c1cscc1C(F)F ZINC000908243965 1040366971 /nfs/dbraw/zinc/36/69/71/1040366971.db2.gz ZRQWMIQUICOVRY-NSHDSACASA-N -1 0 339.363 3.502 20 0 EHADRM CC(C)[C@H](SCc1ccccc1)C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1 ZINC000908367672 1040415976 /nfs/dbraw/zinc/41/59/76/1040415976.db2.gz XNYRRWBWRVBWRY-JZXOWHBKSA-N -1 0 349.496 3.704 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)/C=C\c2csc(C(F)(F)F)c2)C1 ZINC000908375865 1040420858 /nfs/dbraw/zinc/42/08/58/1040420858.db2.gz FDOPQYBUQGYVOW-BOVAPDGDSA-N -1 0 347.358 3.540 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)CC1 ZINC000364199888 1040422122 /nfs/dbraw/zinc/42/21/22/1040422122.db2.gz VTAIYHHBJVXIFU-UHFFFAOYSA-N -1 0 349.858 3.865 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000364201860 1040425257 /nfs/dbraw/zinc/42/52/57/1040425257.db2.gz QLHZOOKVTBOSKM-UHFFFAOYSA-N -1 0 341.860 3.779 20 0 EHADRM Cc1cccc(C2=CCN(C(=O)c3cccc(CC(=O)[O-])c3)CC2)c1C ZINC000908420291 1040459782 /nfs/dbraw/zinc/45/97/82/1040459782.db2.gz JHOXBWYKEMZBAQ-UHFFFAOYSA-N -1 0 349.430 3.860 20 0 EHADRM C/C=C(/CC)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000908420335 1040460721 /nfs/dbraw/zinc/46/07/21/1040460721.db2.gz UIHOSOFWCYRDAT-JUSXSOTRSA-N -1 0 329.318 3.694 20 0 EHADRM O=C([O-])c1ccc(F)c2c1CN(c1cccc(C(F)(F)F)n1)CC2 ZINC000629384083 1040464409 /nfs/dbraw/zinc/46/44/09/1040464409.db2.gz HDDZYVJPPBIJMU-UHFFFAOYSA-N -1 0 340.276 3.500 20 0 EHADRM CC[C@@H]1CCCCCN1C(=O)N=c1[n-]nc(/C=C/c2ccco2)s1 ZINC000486882923 1040513126 /nfs/dbraw/zinc/51/31/26/1040513126.db2.gz UPQPGCUXHVZYGB-WTNCMQEWSA-N -1 0 346.456 3.910 20 0 EHADRM Cc1cc(C(=O)N=c2[n-]nc(/C=C/c3ccco3)s2)ccc1Cl ZINC000490373663 1040528788 /nfs/dbraw/zinc/52/87/88/1040528788.db2.gz TUTGWXQDEGRMBP-FNORWQNLSA-N -1 0 345.811 3.938 20 0 EHADRM CC(C)c1ccc2c(c1)CCCN2C(=O)c1csc(C(=O)[O-])n1 ZINC000908720840 1040591176 /nfs/dbraw/zinc/59/11/76/1040591176.db2.gz QGOFSNPPGNFYSX-UHFFFAOYSA-N -1 0 330.409 3.558 20 0 EHADRM O=C([O-])c1ccc2oc(/C=C\c3cccc(-n4cccn4)c3)nc2c1 ZINC000555470532 1040646884 /nfs/dbraw/zinc/64/68/84/1040646884.db2.gz YNEVGEMYOSQJAY-YVMONPNESA-N -1 0 331.331 3.882 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000908832123 1040679308 /nfs/dbraw/zinc/67/93/08/1040679308.db2.gz UOTRXJRXKRFZND-ZFWWWQNUSA-N -1 0 327.380 3.552 20 0 EHADRM CCc1n[n-]c(=NC(=O)N[C@H](CC)c2ccc(Cl)s2)s1 ZINC000512736675 1040705447 /nfs/dbraw/zinc/70/54/47/1040705447.db2.gz WKZJKEJHFKQMFN-SSDOTTSWSA-N -1 0 330.866 3.510 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)CC[C@@H]1CC(C)(C)CO1 ZINC000908901615 1040708108 /nfs/dbraw/zinc/70/81/08/1040708108.db2.gz LTVYLCMGQZNMQC-CQSZACIVSA-N -1 0 349.427 3.706 20 0 EHADRM CO[C@@](C)(C(=O)Nc1ccc2[n-]c(=S)oc2c1)c1ccccc1F ZINC000192171748 1040757098 /nfs/dbraw/zinc/75/70/98/1040757098.db2.gz AYHKFHCHIVIGEQ-QGZVFWFLSA-N -1 0 346.383 3.756 20 0 EHADRM CSc1cc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c(C)o1 ZINC000909066888 1040789790 /nfs/dbraw/zinc/78/97/90/1040789790.db2.gz FUTPHZHFAFUFGQ-BONVTDFDSA-N -1 0 333.409 3.502 20 0 EHADRM CC(C)[C@@H]1C[C@H](CC(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)CCO1 ZINC000909101065 1040803584 /nfs/dbraw/zinc/80/35/84/1040803584.db2.gz QNYWFYQGQRCGSM-CUGXLUPKSA-N -1 0 331.412 3.564 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H](c2ccncc2)C2CCCC2)ccc1F ZINC000909107815 1040826253 /nfs/dbraw/zinc/82/62/53/1040826253.db2.gz NNGHRAACWKBKNL-KRWDZBQOSA-N -1 0 342.370 3.831 20 0 EHADRM O=C([O-])c1cc(NC(=O)C[C@H]2CCC3(CCC3)CO2)ccc1Cl ZINC000909113094 1040828114 /nfs/dbraw/zinc/82/81/14/1040828114.db2.gz OVPJJESMDIDZRI-GFCCVEGCSA-N -1 0 337.803 3.716 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)CCCSC(C)(C)C ZINC000909168805 1040857992 /nfs/dbraw/zinc/85/79/92/1040857992.db2.gz XDFDKGMGJUOQGF-UHFFFAOYSA-N -1 0 339.457 3.709 20 0 EHADRM CCOc1cc(O)ccc1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000192647962 1040871534 /nfs/dbraw/zinc/87/15/34/1040871534.db2.gz SGCAGNSBUTVDLK-UHFFFAOYSA-N -1 0 325.723 3.541 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)c2coc(C3CCC3)n2)c1 ZINC000909224904 1040883399 /nfs/dbraw/zinc/88/33/99/1040883399.db2.gz IFRYWMCVYMLTOL-UHFFFAOYSA-N -1 0 346.408 3.512 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C1 ZINC000192967860 1040951964 /nfs/dbraw/zinc/95/19/64/1040951964.db2.gz RUVNEYSACDJYER-LOUJCGABSA-N -1 0 333.403 3.626 20 0 EHADRM C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000481484562 1040959577 /nfs/dbraw/zinc/95/95/77/1040959577.db2.gz KSUHSYYVZBNZSJ-MNOVXSKESA-N -1 0 344.381 3.596 20 0 EHADRM Cc1ccc(F)c(CN(C)C(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC000909728853 1040968235 /nfs/dbraw/zinc/96/82/35/1040968235.db2.gz QBNBTLKJDSXATI-UHFFFAOYSA-N -1 0 333.403 3.518 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N2CC[C@@H]2CC)s1)c1ccccc1 ZINC000433175843 1040984382 /nfs/dbraw/zinc/98/43/82/1040984382.db2.gz PIMYGEGWVMITFZ-UONOGXRCSA-N -1 0 330.457 3.518 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)C1(Cc2cccs2)CCCCC1 ZINC000909740653 1040990380 /nfs/dbraw/zinc/99/03/80/1040990380.db2.gz RGEIDMGVVKMYFM-AWEZNQCLSA-N -1 0 335.469 3.707 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cnn(CC3CCCC3)c2)c1 ZINC000909830585 1041016639 /nfs/dbraw/zinc/01/66/39/1041016639.db2.gz LYIAKIXKBHHFIF-ZDUSSCGKSA-N -1 0 341.411 3.514 20 0 EHADRM CCN(C)[C@@H](C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1)c1ccccc1 ZINC000909835820 1041030974 /nfs/dbraw/zinc/03/09/74/1041030974.db2.gz WSIOFPQOZFXDNN-KBXCAEBGSA-N -1 0 340.423 3.506 20 0 EHADRM CSc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C)nc1Cl ZINC000193343232 1041037903 /nfs/dbraw/zinc/03/79/03/1041037903.db2.gz KDSMFFBZQKDVFT-UHFFFAOYSA-N -1 0 342.873 3.875 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1ccccc1COC(C)(C)C)CC(=O)[O-] ZINC000909875491 1041044115 /nfs/dbraw/zinc/04/41/15/1041044115.db2.gz PFDRMUKLQMSALI-HNNXBMFYSA-N -1 0 349.471 3.869 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@@H]3C[C@H]3c3ccccc3Cl)(CC1)CC2 ZINC000909978130 1041089417 /nfs/dbraw/zinc/08/94/17/1041089417.db2.gz WKNAZDOFMZUHJF-YYQHOWSJSA-N -1 0 347.842 3.737 20 0 EHADRM CC(C)COc1ccccc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-] ZINC000899764539 1041093066 /nfs/dbraw/zinc/09/30/66/1041093066.db2.gz LHAKPYVTILQSAR-BAGFXWCHSA-N -1 0 343.423 3.573 20 0 EHADRM CCOc1cc(F)ccc1NC(=O)C[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC000899766105 1041094480 /nfs/dbraw/zinc/09/44/80/1041094480.db2.gz SXQRPSPIPVTYIN-HNNXBMFYSA-N -1 0 345.370 3.730 20 0 EHADRM COc1cc(C)cc(NC(=O)C[C@H](C(=O)[O-])c2ccc(C)cc2)c1C ZINC000899777784 1041099004 /nfs/dbraw/zinc/09/90/04/1041099004.db2.gz BWKBKLLPUKVNNC-INIZCTEOSA-N -1 0 341.407 3.817 20 0 EHADRM C[C@@H](C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)c1ccc2ccccc2c1 ZINC000909988680 1041124818 /nfs/dbraw/zinc/12/48/18/1041124818.db2.gz WBOSCOIKCQNYIC-LBTNJELSSA-N -1 0 325.408 3.513 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccccc2-c2ccccc2)C[C@H]1C(=O)[O-] ZINC000570964575 1041128262 /nfs/dbraw/zinc/12/82/62/1041128262.db2.gz XEGZUKUKOLCECV-RHSMWYFYSA-N -1 0 338.407 3.928 20 0 EHADRM CC(C)[C@H](NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-])c1ccccc1F ZINC000899791813 1041131497 /nfs/dbraw/zinc/13/14/97/1041131497.db2.gz HZEJKSSVQZAVRX-ILKHFPFNSA-N -1 0 345.414 3.552 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1cccc(-c2nccs2)c1 ZINC000899800144 1041136905 /nfs/dbraw/zinc/13/69/05/1041136905.db2.gz CKFCDGKDPVJYDO-CYBMUJFWSA-N -1 0 332.425 3.886 20 0 EHADRM CC1(C)CC(C(=O)N2CCC([C@@H](CC(=O)[O-])c3ccccc3)CC2)C1 ZINC000910030665 1041145065 /nfs/dbraw/zinc/14/50/65/1041145065.db2.gz BEJLDRKLXVPVRX-SFHVURJKSA-N -1 0 343.467 3.920 20 0 EHADRM CCN(Cc1c[nH]c2ccccc12)C(=O)[C@H](CC(=O)[O-])CC(C)C ZINC000899822070 1041164294 /nfs/dbraw/zinc/16/42/94/1041164294.db2.gz NONCIBNJFPEFQA-AWEZNQCLSA-N -1 0 330.428 3.653 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)NC[C@H](c1ccccc1)C(F)(F)F ZINC000899822512 1041164450 /nfs/dbraw/zinc/16/44/50/1041164450.db2.gz QHLVLJZPNYGTCX-UONOGXRCSA-N -1 0 345.361 3.586 20 0 EHADRM CS(=O)(=O)c1ccc(-c2ccc(CCCCCC(=O)[O-])cc2)cc1 ZINC000571179480 1041193793 /nfs/dbraw/zinc/19/37/93/1041193793.db2.gz QBMGNZGTHVLMHP-UHFFFAOYSA-N -1 0 346.448 3.945 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000571178411 1041193960 /nfs/dbraw/zinc/19/39/60/1041193960.db2.gz COMSKLXUVZRLIR-DIFFPNOSSA-N -1 0 349.477 3.785 20 0 EHADRM Cc1cccc(NC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])c1OCc1ccccc1 ZINC000899851380 1041210156 /nfs/dbraw/zinc/21/01/56/1041210156.db2.gz TXJPQMZAGGWQMX-CVEARBPZSA-N -1 0 339.391 3.623 20 0 EHADRM O=C([O-])[C@@H](CC(=O)NCCC1CCC(F)(F)CC1)c1ccccc1 ZINC000899852381 1041212520 /nfs/dbraw/zinc/21/25/20/1041212520.db2.gz FJIJJTSCLXRRCZ-HNNXBMFYSA-N -1 0 339.382 3.577 20 0 EHADRM CCCN(C(=O)Nc1ccc(CC(F)(F)F)cc1)[C@@H](CC)C(=O)[O-] ZINC000555851254 1041225275 /nfs/dbraw/zinc/22/52/75/1041225275.db2.gz QRWHMMBUSBWVPI-ZDUSSCGKSA-N -1 0 346.349 3.899 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)Nc1ccc(OC(F)F)cc1)C(=O)[O-] ZINC000555848151 1041237474 /nfs/dbraw/zinc/23/74/74/1041237474.db2.gz WPFRGFYDADERHG-LBPRGKRZSA-N -1 0 344.358 3.689 20 0 EHADRM O=C(c1cc(O)ccc1Cl)N1CCSC[C@H]1c1ccccc1 ZINC000433343600 1041302765 /nfs/dbraw/zinc/30/27/65/1041302765.db2.gz OKHGDYNMQNNUEU-INIZCTEOSA-N -1 0 333.840 3.976 20 0 EHADRM Cc1c(F)cc(Nc2cncc(C(=O)[O-])c2)cc1Br ZINC001175842313 1132773704 /nfs/dbraw/zinc/77/37/04/1132773704.db2.gz ACBSUBSJCPYZSS-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM CCCCC1CCC(C(=O)N[C@@H](CC2(OC)CCC2)C(=O)[O-])CC1 ZINC000652104584 1041612837 /nfs/dbraw/zinc/61/28/37/1041612837.db2.gz UEZCBGDOFHNPCW-GPANFISMSA-N -1 0 339.476 3.512 20 0 EHADRM C[C@@H]1CCC[C@@H](CC(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)C1 ZINC000432120654 1041619701 /nfs/dbraw/zinc/61/97/01/1041619701.db2.gz BBFJAZFYNRDGCP-NXHRZFHOSA-N -1 0 331.456 3.795 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1 ZINC000047367393 1041622183 /nfs/dbraw/zinc/62/21/83/1041622183.db2.gz LWRKFEBSFJNLAW-UHFFFAOYSA-N -1 0 332.208 3.803 20 0 EHADRM Cc1cccc([C@@H](C)C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000432126749 1041625327 /nfs/dbraw/zinc/62/53/27/1041625327.db2.gz OLZXSENQQCTIAI-VQIMIIECSA-N -1 0 339.435 3.691 20 0 EHADRM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cccc(C(=O)[O-])c1)[C@@H]2C ZINC000432135369 1041630672 /nfs/dbraw/zinc/63/06/72/1041630672.db2.gz HRZJYGQUXDECDJ-QWHCGFSZSA-N -1 0 339.391 3.541 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)NC1(C(C)(C)c2ccccc2)CC1 ZINC000659166393 1041650704 /nfs/dbraw/zinc/65/07/04/1041650704.db2.gz MEKFECLTEWCRRG-UHFFFAOYSA-N -1 0 327.380 3.526 20 0 EHADRM C[C@H]1CN(C(=O)CCc2ccc(C(=O)[O-])cc2)CCc2ccccc21 ZINC000652122087 1041659203 /nfs/dbraw/zinc/65/92/03/1041659203.db2.gz IXOCBNGKABJRQC-HNNXBMFYSA-N -1 0 337.419 3.506 20 0 EHADRM FC(F)c1n[n-]c(=NC[C@H](OCC2CC2)c2ccc(Cl)cc2)o1 ZINC000432174008 1041688249 /nfs/dbraw/zinc/68/82/49/1041688249.db2.gz DOKOPGMLJOPPOL-LBPRGKRZSA-N -1 0 343.761 3.662 20 0 EHADRM Cc1c(Cl)cc(F)c(NC(=O)N2CCC(C)(C(=O)[O-])CC2)c1F ZINC000647698755 1041769270 /nfs/dbraw/zinc/76/92/70/1041769270.db2.gz YVWYOYZZXPUBGR-UHFFFAOYSA-N -1 0 346.761 3.645 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cccc(-c3ccccc3)c2)C[C@H]1C(=O)[O-] ZINC000647702236 1041850750 /nfs/dbraw/zinc/85/07/50/1041850750.db2.gz JIFGYTDSZRRICY-RDTXWAMCSA-N -1 0 338.407 3.928 20 0 EHADRM Cc1occc1C(=O)C(C#N)=C([O-])c1sccc1Br ZINC000125281009 1041932249 /nfs/dbraw/zinc/93/22/49/1041932249.db2.gz OLWYEAKTXAVMSY-SECBINFHSA-N -1 0 338.182 3.617 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1cccc(OC2CCCC2)c1 ZINC000044830917 1041992897 /nfs/dbraw/zinc/99/28/97/1041992897.db2.gz NJIZEKHTCPTXSV-IRXDYDNUSA-N -1 0 329.396 3.614 20 0 EHADRM O=C(Nc1nc(-c2cccs2)ns1)c1cc(F)c([O-])c(F)c1 ZINC000184155929 1042172616 /nfs/dbraw/zinc/17/26/16/1042172616.db2.gz KHOAZYQVLPIJAB-UHFFFAOYSA-N -1 0 339.348 3.503 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1c1ccc2cccc(Br)c2n1 ZINC000662892583 1042199139 /nfs/dbraw/zinc/19/91/39/1042199139.db2.gz FJALGVFLOTULPZ-ZYHUDNBSSA-N -1 0 349.228 3.687 20 0 EHADRM C[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1nc2ccccc2[nH]1 ZINC000184257032 1042367262 /nfs/dbraw/zinc/36/72/62/1042367262.db2.gz HPBYIEDVCRMXBS-QMMMGPOBSA-N -1 0 333.750 3.552 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2sccc2C2CC2)n1 ZINC000659184646 1042456730 /nfs/dbraw/zinc/45/67/30/1042456730.db2.gz HMKBLOAHZMMQPV-GFCCVEGCSA-N -1 0 333.413 3.500 20 0 EHADRM Cc1ccc([C@@H]2C[C@H]2C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1C ZINC000663118961 1042467788 /nfs/dbraw/zinc/46/77/88/1042467788.db2.gz IRWVRCMKJHBGNT-YRPNKDGESA-N -1 0 349.430 3.836 20 0 EHADRM CCOC(=O)C[C@@H](C)N(C)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000184354657 1042475798 /nfs/dbraw/zinc/47/57/98/1042475798.db2.gz ODXJEPMUDFSLNE-LLVKDONJSA-N -1 0 349.814 3.613 20 0 EHADRM Cc1c(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)cnn1C1CCCCC1 ZINC000663139873 1042488698 /nfs/dbraw/zinc/48/86/98/1042488698.db2.gz RCCJZJFXOLXKEF-HNNXBMFYSA-N -1 0 349.475 3.564 20 0 EHADRM O=C([O-])[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)C1CCC1 ZINC000663147239 1042493967 /nfs/dbraw/zinc/49/39/67/1042493967.db2.gz ARINHRHMGVPHDI-CEXWTWQISA-N -1 0 337.419 3.560 20 0 EHADRM Cc1c(Cl)cccc1C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000659188313 1042523635 /nfs/dbraw/zinc/52/36/35/1042523635.db2.gz BZFRJSKXRDZYJC-YCPHGPKFSA-N -1 0 335.831 3.754 20 0 EHADRM C[C@H](CNC(=O)c1cc(F)c([O-])c(Cl)c1)Oc1ccccc1F ZINC000184454374 1042549594 /nfs/dbraw/zinc/54/95/94/1042549594.db2.gz XVILACMWIQKDLW-SECBINFHSA-N -1 0 341.741 3.521 20 0 EHADRM CCS[C@@H]1CCCC[C@H]1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184480934 1042558852 /nfs/dbraw/zinc/55/88/52/1042558852.db2.gz ZGWWBYONLGSMGO-CHWSQXEVSA-N -1 0 331.840 3.979 20 0 EHADRM CCC(CC)(CC(=O)Nc1ccc(O[C@H]2CC2(F)F)cc1)C(=O)[O-] ZINC000663228970 1042574285 /nfs/dbraw/zinc/57/42/85/1042574285.db2.gz KYBZRAKRGNJDHU-ZDUSSCGKSA-N -1 0 341.354 3.693 20 0 EHADRM CCC(CC)(CNC(=O)c1cccc(-c2nc(C)cs2)c1)C(=O)[O-] ZINC000236894890 1042614123 /nfs/dbraw/zinc/61/41/23/1042614123.db2.gz ROHFJXZFTAGIEA-UHFFFAOYSA-N -1 0 346.452 3.739 20 0 EHADRM O=C([O-])CN(C(=O)NCc1cccc(Cl)c1Cl)C1CCCC1 ZINC000663270622 1042618133 /nfs/dbraw/zinc/61/81/33/1042618133.db2.gz CXLYNZQXNQJYPN-UHFFFAOYSA-N -1 0 345.226 3.532 20 0 EHADRM Cc1cc(Br)cc(NC(=O)CC(C)(C)CC(=O)[O-])c1 ZINC000185938921 1042643633 /nfs/dbraw/zinc/64/36/33/1042643633.db2.gz WHZOADHYEMOSDZ-UHFFFAOYSA-N -1 0 328.206 3.587 20 0 EHADRM CCc1cc(C)cc(CC)c1NC(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663353603 1042744035 /nfs/dbraw/zinc/74/40/35/1042744035.db2.gz AIYJOFVFWYCUQB-INIZCTEOSA-N -1 0 332.444 3.742 20 0 EHADRM CC(C)COc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2)c1 ZINC000314909290 1042882000 /nfs/dbraw/zinc/88/20/00/1042882000.db2.gz LHJNXYADZGDQPI-UHFFFAOYSA-N -1 0 340.832 3.571 20 0 EHADRM O=C([O-])c1cc(NCc2cc(Cl)c3c(c2)OCCO3)ccc1F ZINC000319647933 1042883366 /nfs/dbraw/zinc/88/33/66/1042883366.db2.gz AJAASVZIMKHHCW-UHFFFAOYSA-N -1 0 337.734 3.561 20 0 EHADRM O=S(=O)([N-]c1cccc(Cl)c1F)c1ccc(Cl)s1 ZINC000007387682 1042889571 /nfs/dbraw/zinc/88/95/71/1042889571.db2.gz AYTVHPGGWVQAIY-UHFFFAOYSA-N -1 0 326.201 3.995 20 0 EHADRM Cc1ccc2cc(Cl)cc(C(=O)N3CCC[C@H](C)[C@@H]3C(=O)[O-])c2n1 ZINC000647743624 1042960187 /nfs/dbraw/zinc/96/01/87/1042960187.db2.gz RFAVEAWNJZPKBG-MGPLVRAMSA-N -1 0 346.814 3.522 20 0 EHADRM O=C(N=c1nc(-c2ccccc2Cl)[n-]s1)N[C@@H]1C=CCCC1 ZINC000544636732 1042970710 /nfs/dbraw/zinc/97/07/10/1042970710.db2.gz XNVWYDIDAAOMQN-SNVBAGLBSA-N -1 0 334.832 3.511 20 0 EHADRM FC(F)(F)c1ccccc1[C@H]1C[C@H]1N=c1[n-]nc(C2CC2)s1 ZINC000432350313 1042986596 /nfs/dbraw/zinc/98/65/96/1042986596.db2.gz YGZWFBWLQZTRIG-ZYHUDNBSSA-N -1 0 325.359 3.824 20 0 EHADRM COCCSc1ccc([C@H](C)N=c2[n-]nc(C(C)C)s2)cc1 ZINC000432355309 1042992691 /nfs/dbraw/zinc/99/26/91/1042992691.db2.gz CRVSJJKRPJXLED-LBPRGKRZSA-N -1 0 337.514 3.995 20 0 EHADRM O=S(=O)([N-]c1cnccc1-c1ccccc1)c1c(F)cccc1F ZINC000432358461 1042994396 /nfs/dbraw/zinc/99/43/96/1042994396.db2.gz ORLXWXDZFHDQCC-UHFFFAOYSA-N -1 0 346.358 3.828 20 0 EHADRM COc1c(Cl)cc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1Cl ZINC000585810465 1043087424 /nfs/dbraw/zinc/08/74/24/1043087424.db2.gz SWMVXGTUQJFDED-VHSXEESVSA-N -1 0 344.194 3.608 20 0 EHADRM CS[C@@H]1CCC[C@H](Nc2ncnc3sc(C(=O)[O-])c(C)c32)C1 ZINC000318679035 1043112207 /nfs/dbraw/zinc/11/22/07/1043112207.db2.gz XFGGPYVZOHQHNG-VHSXEESVSA-N -1 0 337.470 3.784 20 0 EHADRM CSc1nc2ccc([N-]S(=O)(=O)c3cccs3)cc2s1 ZINC000006316908 1043185328 /nfs/dbraw/zinc/18/53/28/1043185328.db2.gz CZNGAPSEMPKXMU-UHFFFAOYSA-N -1 0 342.492 3.881 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N3CCC(C)=C(C)C3)s2)c1 ZINC000432476951 1043414618 /nfs/dbraw/zinc/41/46/18/1043414618.db2.gz LFZMBGSTRPSOFG-UHFFFAOYSA-N -1 0 342.468 3.818 20 0 EHADRM C[C@](CC(=O)Nc1cc(F)cc(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC000391076006 1043802020 /nfs/dbraw/zinc/80/20/20/1043802020.db2.gz NAUCQRGNJXVIEV-QGZVFWFLSA-N -1 0 335.762 3.850 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCc1ccccc1Cl ZINC000320207843 1044310240 /nfs/dbraw/zinc/31/02/40/1044310240.db2.gz SNMOLWAGJHSACB-IMJJTQAJSA-N -1 0 335.831 3.517 20 0 EHADRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)c1ccc(Cl)cc1Cl ZINC000094743223 1044382427 /nfs/dbraw/zinc/38/24/27/1044382427.db2.gz ISZXBICVWZQTKC-YPMHNXCESA-N -1 0 330.211 3.757 20 0 EHADRM O=C(NCCc1c(Cl)cccc1Cl)c1cc(F)c([O-])c(F)c1 ZINC000436533675 1044415553 /nfs/dbraw/zinc/41/55/53/1044415553.db2.gz UXJJEOYCMJKNAB-UHFFFAOYSA-N -1 0 346.160 3.950 20 0 EHADRM CCOc1cc(C(=O)N[C@H](C)CC(F)(F)F)cc(Cl)c1O ZINC000344791874 1044436784 /nfs/dbraw/zinc/43/67/84/1044436784.db2.gz LGUDIFIDDSTCHO-SSDOTTSWSA-N -1 0 325.714 3.515 20 0 EHADRM CO[C@H](C)c1nc(=N[C@H]2COc3c2ccc(Cl)c3Cl)s[n-]1 ZINC000337847499 1044498514 /nfs/dbraw/zinc/49/85/14/1044498514.db2.gz DNAUWOKYBGMCTR-MUWHJKNJSA-N -1 0 346.239 3.520 20 0 EHADRM CC(C)Oc1ccc(Cl)c(-c2nc3ccc(O)cc3c(=O)[n-]2)n1 ZINC000436930157 1044565524 /nfs/dbraw/zinc/56/55/24/1044565524.db2.gz WXBPMABGVDUSSL-UHFFFAOYSA-N -1 0 331.759 3.544 20 0 EHADRM CCN=c1[n-]nc(SCC(=O)c2ccc(CC(C)C)cc2)s1 ZINC000613999585 1044650218 /nfs/dbraw/zinc/65/02/18/1044650218.db2.gz HCWPTSSYSBWFEC-UHFFFAOYSA-N -1 0 335.498 3.565 20 0 EHADRM C[C@H]1CC2(CCC2)CN1C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000614014129 1044816219 /nfs/dbraw/zinc/81/62/19/1044816219.db2.gz YFGAVAHBUHHJAK-LBPRGKRZSA-N -1 0 345.830 3.636 20 0 EHADRM Cc1csc([C@H](NC(=O)c2cc(F)cc(Cl)c2[O-])C2CC2)n1 ZINC000154658043 1125743758 /nfs/dbraw/zinc/74/37/58/1125743758.db2.gz RSVKROYGRPBVIY-GFCCVEGCSA-N -1 0 340.807 3.831 20 0 EHADRM CN(Cc1cc(Cl)ccc1F)C(=O)c1s[n-]c(=O)c1Cl ZINC000622557323 1126722850 /nfs/dbraw/zinc/72/28/50/1126722850.db2.gz CFLOMJVRJWAELC-UHFFFAOYSA-N -1 0 335.187 3.567 20 0 EHADRM CCCC[C@@H](NC(=O)c1occc1CSc1ccccc1)C(=O)[O-] ZINC000184974337 1126730249 /nfs/dbraw/zinc/73/02/49/1126730249.db2.gz QPZUKBOHIIQYHV-OAHLLOKOSA-N -1 0 347.436 3.945 20 0 EHADRM O=S(=O)(C=C([O-])c1ccc(Cl)cc1)c1ccccc1Cl ZINC000081906557 1126781922 /nfs/dbraw/zinc/78/19/22/1126781922.db2.gz SIVCJDUCQZMJOY-UHFFFAOYSA-N -1 0 329.204 3.650 20 0 EHADRM CCCCOc1ccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1 ZINC000336880519 1126814151 /nfs/dbraw/zinc/81/41/51/1126814151.db2.gz QRKMMWBZTRNECM-JQHSSLGASA-N -1 0 345.439 3.723 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cc1cccc2ccccc21 ZINC000336878772 1126814280 /nfs/dbraw/zinc/81/42/80/1126814280.db2.gz IOCZXTICOSAULA-NEWSRXKRSA-N -1 0 337.419 3.627 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1cc(F)c(Cl)cc1Cl ZINC000164615184 1126852117 /nfs/dbraw/zinc/85/21/17/1126852117.db2.gz GQPMJRLJKIZZMY-FZMZJTMJSA-N -1 0 334.174 3.506 20 0 EHADRM COc1csc(C(=O)Nc2nc(-c3ccc(OC)cc3)ns2)c1 ZINC000176806573 1126952623 /nfs/dbraw/zinc/95/26/23/1126952623.db2.gz YLFBNLPWPIDTAB-UHFFFAOYSA-N -1 0 347.421 3.536 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)NCC3CCCCCCC3)cc2=O)cc1 ZINC000073006614 1126969476 /nfs/dbraw/zinc/96/94/76/1126969476.db2.gz XERACTKSCBNVEB-UHFFFAOYSA-N -1 0 341.455 3.564 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000073086938 1126999252 /nfs/dbraw/zinc/99/92/52/1126999252.db2.gz YSYRMFSNUNDEIR-OAHLLOKOSA-N -1 0 339.457 3.686 20 0 EHADRM CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc(Cl)c2[O-])c1 ZINC000177902943 1127002152 /nfs/dbraw/zinc/00/21/52/1127002152.db2.gz BCXMFSHPGTYEFS-UHFFFAOYSA-N -1 0 339.178 3.910 20 0 EHADRM C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H]1CCC(C)(C)c2ccccc21 ZINC000184366978 1127402991 /nfs/dbraw/zinc/40/29/91/1127402991.db2.gz XYAUSKOPDKLYCM-MFKMUULPSA-N -1 0 335.391 3.669 20 0 EHADRM CCSc1ccc([C@H](C)[N-]S(=O)(=O)[C@@H](C)C(F)(F)F)cc1 ZINC000184416264 1127404280 /nfs/dbraw/zinc/40/42/80/1127404280.db2.gz UFNLMNITBXRNAH-UWVGGRQHSA-N -1 0 341.420 3.730 20 0 EHADRM CN(C)c1ccc(Cl)cc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000185446672 1127426253 /nfs/dbraw/zinc/42/62/53/1127426253.db2.gz KNELCHCWTDOSNC-UHFFFAOYSA-N -1 0 344.720 3.781 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cc1OC(F)F)c1cccs1 ZINC000185660599 1127429503 /nfs/dbraw/zinc/42/95/03/1127429503.db2.gz LJEZWFYOAXOYQZ-UHFFFAOYSA-N -1 0 339.772 3.804 20 0 EHADRM COc1nc2ccccc2cc1/C=C\c1ncc(/C=C\C(=O)[O-])s1 ZINC000764107144 1127445880 /nfs/dbraw/zinc/44/58/80/1127445880.db2.gz IMMLKEMZONXGJO-VRHVFUOLSA-N -1 0 338.388 3.968 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)c1nnc(-c2ccccc2F)[n-]1 ZINC000195128297 1127474183 /nfs/dbraw/zinc/47/41/83/1127474183.db2.gz ABEMKACGGBWLMB-OAHLLOKOSA-N -1 0 345.399 3.536 20 0 EHADRM COCCN(Cc1ccccc1)Cc1cccc(C(=O)[O-])c1Cl ZINC000384403904 1127577624 /nfs/dbraw/zinc/57/76/24/1127577624.db2.gz CHCDNNDTTHSTPN-UHFFFAOYSA-N -1 0 333.815 3.687 20 0 EHADRM CCc1n[n-]c(=NC(=O)N[C@@H](c2cccs2)C(CC)CC)s1 ZINC000615471991 1127726151 /nfs/dbraw/zinc/72/61/51/1127726151.db2.gz MTSDUIOTCCBEHP-CYBMUJFWSA-N -1 0 338.502 3.883 20 0 EHADRM Cc1cc(N2CCCC2)ccc1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000041798152 1127878633 /nfs/dbraw/zinc/87/86/33/1127878633.db2.gz MSGSVCGWLAUBFO-UHFFFAOYSA-N -1 0 347.418 3.689 20 0 EHADRM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000671688336 1127904200 /nfs/dbraw/zinc/90/42/00/1127904200.db2.gz MHJXLUYIIQABGI-DAXOMENPSA-N -1 0 341.411 3.575 20 0 EHADRM O=C([N-]c1nnc(-c2ccccn2)s1)c1cc(-c2ccccc2)on1 ZINC000046759024 1127990218 /nfs/dbraw/zinc/99/02/18/1127990218.db2.gz YQXWFJAANXLSOW-UHFFFAOYSA-N -1 0 349.375 3.507 20 0 EHADRM Cc1ccccc1[C@H]1CCCN1Cc1c([O-])nnn1-c1ccccc1 ZINC000057089331 1128037096 /nfs/dbraw/zinc/03/70/96/1128037096.db2.gz LPNSUFTYRUFHOI-GOSISDBHSA-N -1 0 334.423 3.618 20 0 EHADRM COC(=O)c1cc(C(C)C)ccc1[N-]S(=O)(=O)c1cccc(C)c1 ZINC000060839439 1128114582 /nfs/dbraw/zinc/11/45/82/1128114582.db2.gz XEIOZGCHYKNQKC-UHFFFAOYSA-N -1 0 347.436 3.706 20 0 EHADRM CCCC(=O)Nc1cccc(NC(=O)CC2(C(=O)[O-])CCCC2)c1C ZINC000063640075 1128149661 /nfs/dbraw/zinc/14/96/61/1128149661.db2.gz CTWOGQJQKTYLED-UHFFFAOYSA-N -1 0 346.427 3.707 20 0 EHADRM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cnc(C(C)(C)C)nc1 ZINC000063850050 1128158760 /nfs/dbraw/zinc/15/87/60/1128158760.db2.gz LJVKLTMYTRJGNU-UHFFFAOYSA-N -1 0 339.848 3.537 20 0 EHADRM O=C(Nc1cccc(COCC2CC2)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000065122502 1128185678 /nfs/dbraw/zinc/18/56/78/1128185678.db2.gz ZBFRYCSDCRGMLL-UHFFFAOYSA-N -1 0 348.402 3.707 20 0 EHADRM CC[C@H](NC(=O)c1ccc(Cl)c([O-])c1)c1cccc(OC)c1OC ZINC001649110453 1128283188 /nfs/dbraw/zinc/28/31/88/1128283188.db2.gz CEARZQLTMMOEBC-AWEZNQCLSA-N -1 0 349.814 3.944 20 0 EHADRM COCc1ccccc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000055595279 1128524640 /nfs/dbraw/zinc/52/46/40/1128524640.db2.gz KQPFHFIBHCPABR-UHFFFAOYSA-N -1 0 346.235 3.941 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1ccccc1OC1CCCC1 ZINC000055632947 1128525534 /nfs/dbraw/zinc/52/55/34/1128525534.db2.gz WBLBZZQZVRZMQM-UHFFFAOYSA-N -1 0 347.436 3.817 20 0 EHADRM CC[C@@H]1CCCC[C@H]1N(C)C(=O)N=c1ncn(C2CCCCC2)[n-]1 ZINC000542725335 1128563069 /nfs/dbraw/zinc/56/30/69/1128563069.db2.gz VAEVUQAPJMNSLM-GDBMZVCRSA-N -1 0 333.480 3.638 20 0 EHADRM CC[C@@H]1CCCN1C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000542729988 1128565251 /nfs/dbraw/zinc/56/52/51/1128565251.db2.gz QCMMVKFQGMLLIN-GFCCVEGCSA-N -1 0 336.848 3.687 20 0 EHADRM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1cc2ccccc2s1 ZINC000057752660 1128664212 /nfs/dbraw/zinc/66/42/12/1128664212.db2.gz DHPMHPDUFXQACT-UHFFFAOYSA-N -1 0 337.360 3.909 20 0 EHADRM CC(C)[C@@H](CNc1nnc(-c2ccccc2Cl)s1)C(=O)[O-] ZINC000656093492 1128735408 /nfs/dbraw/zinc/73/54/08/1128735408.db2.gz WDMLLBWKRMSUDB-SNVBAGLBSA-N -1 0 325.821 3.627 20 0 EHADRM c1ccc(C[C@H]2CC[C@@H](N=c3[n-]nc(C4CCOCC4)s3)C2)cc1 ZINC000338717017 1128746000 /nfs/dbraw/zinc/74/60/00/1128746000.db2.gz ZJVQUSHBJTZJKL-NVXWUHKLSA-N -1 0 343.496 3.677 20 0 EHADRM CCc1cc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)ccc1F ZINC000672112672 1128754611 /nfs/dbraw/zinc/75/46/11/1128754611.db2.gz WCKFXFUCZYIDFG-UHFFFAOYSA-N -1 0 337.354 3.595 20 0 EHADRM CC[C@H](C)C[C@H](C)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cn1 ZINC001168692916 1128884617 /nfs/dbraw/zinc/88/46/17/1128884617.db2.gz ZRMNQODBLAQFSU-KBPBESRZSA-N -1 0 348.472 3.514 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc([O-])c(Cl)c2)[C@@H](c2ccccc2)CO1 ZINC000086337381 1120103968 /nfs/dbraw/zinc/10/39/68/1120103968.db2.gz OMBXZTWFOQQUTJ-MLGOLLRUSA-N -1 0 331.799 3.648 20 0 EHADRM Cc1ccncc1-c1noc(-c2ccc(Br)cc2[O-])n1 ZINC000168216693 1120275220 /nfs/dbraw/zinc/27/52/20/1120275220.db2.gz BXAZOSSKOYIYNW-UHFFFAOYSA-N -1 0 332.157 3.575 20 0 EHADRM COc1cc(Nc2ccc(Br)cc2C#N)ccc1C(=O)[O-] ZINC000227179403 1120326709 /nfs/dbraw/zinc/32/67/09/1120326709.db2.gz IVAROQSRYDMSRK-UHFFFAOYSA-N -1 0 347.168 3.771 20 0 EHADRM Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1cccc(C)c1 ZINC000184885947 1120391543 /nfs/dbraw/zinc/39/15/43/1120391543.db2.gz CJOSEKHCBXMTHQ-UHFFFAOYSA-N -1 0 328.393 3.759 20 0 EHADRM Cc1nc(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])c(C)s1 ZINC000761604772 1120442833 /nfs/dbraw/zinc/44/28/33/1120442833.db2.gz XJFFPZMSJSRNLN-UHFFFAOYSA-N -1 0 326.377 3.864 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1ccc2c(c1)OCO2 ZINC000220324416 1120475197 /nfs/dbraw/zinc/47/51/97/1120475197.db2.gz VTCFMKGSAYOFMB-UHFFFAOYSA-N -1 0 326.135 3.680 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2C)s1 ZINC000152579867 1120548321 /nfs/dbraw/zinc/54/83/21/1120548321.db2.gz LZSVAIFFFXJZLH-UHFFFAOYSA-N -1 0 347.465 3.605 20 0 EHADRM CCc1c([N-]S(=O)(=O)c2ccccc2)cnn1-c1ccccc1C ZINC000189457703 1120587023 /nfs/dbraw/zinc/58/70/23/1120587023.db2.gz LCWRXODEANRNSY-UHFFFAOYSA-N -1 0 341.436 3.544 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(F)ccc1OC(F)F ZINC000470435467 1120716567 /nfs/dbraw/zinc/71/65/67/1120716567.db2.gz BRXMNDZOEZHCEO-UHFFFAOYSA-N -1 0 349.305 3.675 20 0 EHADRM Cc1noc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)c1C ZINC000194609393 1120851215 /nfs/dbraw/zinc/85/12/15/1120851215.db2.gz LVDIYQKZYJOMGQ-UHFFFAOYSA-N -1 0 335.212 3.540 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)C2(c3cccc(F)c3)CCC2)cc1 ZINC000914731017 1120966797 /nfs/dbraw/zinc/96/67/97/1120966797.db2.gz WUGBPGHMWHYZKG-YFHOEESVSA-N -1 0 339.366 3.984 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C1CCCCCCC1)c1ccc(F)cc1F ZINC000761834319 1120979439 /nfs/dbraw/zinc/97/94/39/1120979439.db2.gz IBYLWIZVHDEGBH-MRXNPFEDSA-N -1 0 339.382 3.957 20 0 EHADRM [O-]c1c(Cl)cccc1-c1nc(-c2ccc(OCC3CC3)nc2)no1 ZINC000761898816 1121005013 /nfs/dbraw/zinc/00/50/13/1121005013.db2.gz LCJGKRGKVUJVOA-UHFFFAOYSA-N -1 0 343.770 3.946 20 0 EHADRM C/C(=C\C(=O)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl)C(C)(C)C ZINC000762163429 1121136959 /nfs/dbraw/zinc/13/69/59/1121136959.db2.gz OXBXMDRFMHENGV-JXMROGBWSA-N -1 0 347.839 3.585 20 0 EHADRM COc1cc(Cl)c(S(=O)(=O)[N-]c2ccccc2)cc1Cl ZINC000303340296 1121138265 /nfs/dbraw/zinc/13/82/65/1121138265.db2.gz YSXOPMDNZDMVFP-UHFFFAOYSA-N -1 0 332.208 3.803 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)C[C@@H](C)CC(C)C)c(Cl)cc1F ZINC000762164012 1121138444 /nfs/dbraw/zinc/13/84/44/1121138444.db2.gz ROSKQFXIOCHOAK-JTQLQIEISA-N -1 0 349.855 3.665 20 0 EHADRM COc1ccc(/C=C\C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1 ZINC000762157098 1121138960 /nfs/dbraw/zinc/13/89/60/1121138960.db2.gz HREVKOCAPGIVIW-VDBIKXPHSA-N -1 0 339.391 3.610 20 0 EHADRM CC(C)(C)c1nnc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)s1 ZINC000176599174 1121237976 /nfs/dbraw/zinc/23/79/76/1121237976.db2.gz RVGBFCWOICQKEI-UHFFFAOYSA-N -1 0 349.481 3.565 20 0 EHADRM O=C(Nc1cccc(-c2cn[nH]c2)c1)c1cc(F)cc(Cl)c1[O-] ZINC000762319021 1121250305 /nfs/dbraw/zinc/25/03/05/1121250305.db2.gz CRQGRFRMSRANEA-UHFFFAOYSA-N -1 0 331.734 3.827 20 0 EHADRM CC(C)Oc1cccc(/C=C/C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC000236750719 1121462213 /nfs/dbraw/zinc/46/22/13/1121462213.db2.gz PPFIDPDRCHNQAF-SYJIQKIWSA-N -1 0 345.439 3.590 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000236801416 1121464925 /nfs/dbraw/zinc/46/49/25/1121464925.db2.gz FUGGVXXTDMDPGY-ZDUSSCGKSA-N -1 0 327.380 3.914 20 0 EHADRM CCOc1ccccc1CCC(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000236911480 1121468472 /nfs/dbraw/zinc/46/84/72/1121468472.db2.gz WULMTSFUKNKVDG-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM Cc1ccc(CSCC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000237031134 1121472064 /nfs/dbraw/zinc/47/20/64/1121472064.db2.gz YABQAWOOJXZAQK-UHFFFAOYSA-N -1 0 343.448 3.585 20 0 EHADRM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000237560457 1121488454 /nfs/dbraw/zinc/48/84/54/1121488454.db2.gz FNAQDLDLEVFYMR-SECBINFHSA-N -1 0 337.734 3.583 20 0 EHADRM Cc1cc(NC(=O)Cn2ccc3ccc(Cl)cc32)ccc1C(=O)[O-] ZINC000237810629 1121495048 /nfs/dbraw/zinc/49/50/48/1121495048.db2.gz KVMGAPPQDDQPFA-UHFFFAOYSA-N -1 0 342.782 3.940 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000237992503 1121500626 /nfs/dbraw/zinc/50/06/26/1121500626.db2.gz SAXAOYKRPJGCQW-LLVKDONJSA-N -1 0 347.308 3.704 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)s1 ZINC000238053214 1121501935 /nfs/dbraw/zinc/50/19/35/1121501935.db2.gz SMQVMPQFAFNFSX-LLVKDONJSA-N -1 0 347.289 3.619 20 0 EHADRM Cc1ccccc1C([O-])=CS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000322479350 1121652141 /nfs/dbraw/zinc/65/21/41/1121652141.db2.gz KAXGROIXORZUFS-UHFFFAOYSA-N -1 0 343.231 3.958 20 0 EHADRM CCc1cc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)ccc1C ZINC000326243580 1121874917 /nfs/dbraw/zinc/87/49/17/1121874917.db2.gz MGSHBVDGLNCNBR-HXUWFJFHSA-N -1 0 325.408 3.929 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(F)cc(Br)c2)cc1 ZINC000037025769 1122063797 /nfs/dbraw/zinc/06/37/97/1122063797.db2.gz YKPZBZVUDDLXPU-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)cc1 ZINC000916186594 1122091515 /nfs/dbraw/zinc/09/15/15/1122091515.db2.gz SDMJVXLZPQSKLU-IAGOWNOFSA-N -1 0 349.496 3.682 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)cc1 ZINC000916186596 1122091978 /nfs/dbraw/zinc/09/19/78/1122091978.db2.gz SDMJVXLZPQSKLU-SJORKVTESA-N -1 0 349.496 3.682 20 0 EHADRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1)CC(C)(C)C ZINC000916651873 1122239676 /nfs/dbraw/zinc/23/96/76/1122239676.db2.gz VMWHAHWGUHZZAU-NSHDSACASA-N -1 0 331.865 3.607 20 0 EHADRM Cc1ccc(Br)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000123763560 1122263277 /nfs/dbraw/zinc/26/32/77/1122263277.db2.gz CGJHVDXHVFHXEH-UHFFFAOYSA-N -1 0 326.215 3.558 20 0 EHADRM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3cc(C)ccc3F)c2)o1 ZINC000066814668 1122485479 /nfs/dbraw/zinc/48/54/79/1122485479.db2.gz ZBCRDSSQHQRUSX-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM CCOc1ccc(C(=O)[O-])cc1Nc1c(C)nc(Cl)nc1Cl ZINC001214268546 1122500618 /nfs/dbraw/zinc/50/06/18/1122500618.db2.gz KRDHIGJABPBRMF-UHFFFAOYSA-N -1 0 342.182 3.932 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)c(C)n1 ZINC000128753959 1122662470 /nfs/dbraw/zinc/66/24/70/1122662470.db2.gz JDGUSJCBZCSEHV-UHFFFAOYSA-N -1 0 344.358 3.826 20 0 EHADRM O=S(=O)([N-]c1ccc(OCC2CC2)cc1)c1ccc(Cl)s1 ZINC000497957991 1122713146 /nfs/dbraw/zinc/71/31/46/1122713146.db2.gz GGAZMMIAYZEJSO-UHFFFAOYSA-N -1 0 343.857 3.991 20 0 EHADRM Cn1c(CNc2cccc(C(=O)[O-])c2)nc2cc(C(F)(F)F)ccc21 ZINC000556323723 1122929295 /nfs/dbraw/zinc/92/92/95/1122929295.db2.gz AGMYORPHMXSIRV-UHFFFAOYSA-N -1 0 349.312 3.902 20 0 EHADRM CCCCCOC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC000918919391 1122943144 /nfs/dbraw/zinc/94/31/44/1122943144.db2.gz JJQBAGHOFMSRHS-UHFFFAOYSA-N -1 0 335.425 3.558 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NC2(c3ccccc3)CCCCC2)C1 ZINC000498628565 1122998048 /nfs/dbraw/zinc/99/80/48/1122998048.db2.gz WFDXEKPRUNDDKG-CVEARBPZSA-N -1 0 329.440 3.853 20 0 EHADRM COc1cccc(C2=CCN(C(=O)c3ccc(Cl)c([O-])c3)C2)c1 ZINC001137791079 1123020067 /nfs/dbraw/zinc/02/00/67/1123020067.db2.gz RYZDBGWIAYFUCB-UHFFFAOYSA-N -1 0 329.783 3.594 20 0 EHADRM Cc1cc(NC(=O)c2cccc(Cl)c2[O-])nn1-c1cccc(F)c1 ZINC001127498718 1123069906 /nfs/dbraw/zinc/06/99/06/1123069906.db2.gz ULWXVJSROMKNNZ-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCCc2cc(OC(F)F)ccc21 ZINC000133014620 1123329566 /nfs/dbraw/zinc/32/95/66/1123329566.db2.gz RUTORPWFGHEFQR-UHFFFAOYSA-N -1 0 337.297 3.726 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1cnn(CC(C)C)c1C(C)C ZINC000499273226 1123331550 /nfs/dbraw/zinc/33/15/50/1123331550.db2.gz NMLMWMXNQFQRFE-UHFFFAOYSA-N -1 0 341.502 3.833 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C)cc1CC ZINC000499286222 1123336695 /nfs/dbraw/zinc/33/66/95/1123336695.db2.gz YPGPVOXGJZULKP-UHFFFAOYSA-N -1 0 349.500 3.773 20 0 EHADRM C[C@@H]1CCCC[C@H]1CC(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000920789340 1123423529 /nfs/dbraw/zinc/42/35/29/1123423529.db2.gz OAARLOJPTZOZAJ-ZBFHGGJFSA-N -1 0 345.464 3.861 20 0 EHADRM C[C@H]1CCCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000920789338 1123423744 /nfs/dbraw/zinc/42/37/44/1123423744.db2.gz OAARLOJPTZOZAJ-GOEBONIOSA-N -1 0 345.464 3.861 20 0 EHADRM Cc1c(C(=O)N(CCC(=O)[O-])CC(C)C)sc2cccc(F)c12 ZINC000236764592 1123461753 /nfs/dbraw/zinc/46/17/53/1123461753.db2.gz MUYGLWNIHBAGAW-UHFFFAOYSA-N -1 0 337.416 3.922 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC000237023822 1123488795 /nfs/dbraw/zinc/48/87/95/1123488795.db2.gz XNUXYYFIJVBXBZ-CYBMUJFWSA-N -1 0 337.485 3.836 20 0 EHADRM Cc1ncc(-c2ccc(NC(=O)c3c([O-])cc(F)cc3F)cc2)o1 ZINC000066044218 1129125645 /nfs/dbraw/zinc/12/56/45/1129125645.db2.gz ZVFWFZUVHIMIJQ-UHFFFAOYSA-N -1 0 330.290 3.886 20 0 EHADRM COc1ccc2c(CC(=O)Nc3ccc(C)cc3C(=O)[O-])coc2c1 ZINC000237271459 1123506822 /nfs/dbraw/zinc/50/68/22/1123506822.db2.gz RAKYIXCAPHORFE-UHFFFAOYSA-N -1 0 339.347 3.629 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)C1(c2cccc(Cl)c2)CCCCC1 ZINC000237381112 1123516040 /nfs/dbraw/zinc/51/60/40/1123516040.db2.gz HYEVMJUNASOVNN-CYBMUJFWSA-N -1 0 337.847 3.911 20 0 EHADRM CNC(=O)c1cnc(/C=C/c2cc(Cl)c([O-])cc2Cl)s1 ZINC000134397899 1123520408 /nfs/dbraw/zinc/52/04/08/1123520408.db2.gz LCKZGCFAFPJCFV-NSCUHMNNSA-N -1 0 329.208 3.686 20 0 EHADRM CC(C)[C@H](NC(=O)C[C@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1 ZINC000013468986 1129127502 /nfs/dbraw/zinc/12/75/02/1129127502.db2.gz BMQLZFVPFNTLDB-HKUYNNGSSA-N -1 0 343.398 3.898 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC[C@@H](Cc2ccccc2)c2ccccc2)o1 ZINC000238018110 1123555868 /nfs/dbraw/zinc/55/58/68/1123555868.db2.gz ZEQJQMAEKOIOOM-QGZVFWFLSA-N -1 0 349.386 3.734 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)[C@H]2C[C@@H]2c2c(F)cccc2Cl)c1 ZINC000238217184 1123571172 /nfs/dbraw/zinc/57/11/72/1123571172.db2.gz RKSIOELHESJMQT-STQMWFEESA-N -1 0 347.773 3.597 20 0 EHADRM O=C(CC1CCCC1)[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000064358455 1123582067 /nfs/dbraw/zinc/58/20/67/1123582067.db2.gz WVVIZGRNICLSQU-UHFFFAOYSA-N -1 0 336.388 3.599 20 0 EHADRM COCCCOc1cccc(NC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000080037411 1123735599 /nfs/dbraw/zinc/73/55/99/1123735599.db2.gz GTJRZKPLBJIEPK-UHFFFAOYSA-N -1 0 335.787 3.713 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccsc2)sc1Br ZINC000080940449 1123769612 /nfs/dbraw/zinc/76/96/12/1123769612.db2.gz JEEKKQPQMOAAGR-UHFFFAOYSA-N -1 0 338.273 3.681 20 0 EHADRM Cc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3CCC(=O)[O-])on2)cc1 ZINC000237701734 1123815593 /nfs/dbraw/zinc/81/55/93/1123815593.db2.gz HIYBVUAHZMVMLF-OAHLLOKOSA-N -1 0 342.395 3.510 20 0 EHADRM CC(C)c1cc(CNS(=O)(=O)c2c(Cl)cccc2Cl)on1 ZINC000114499506 1129152377 /nfs/dbraw/zinc/15/23/77/1129152377.db2.gz RKSCUEXHZQISIM-UHFFFAOYSA-N -1 0 349.239 3.583 20 0 EHADRM [O-]c1c(Cl)cccc1CN1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000180021300 1123924909 /nfs/dbraw/zinc/92/49/09/1123924909.db2.gz ADORGYPODZSKCV-INIZCTEOSA-N -1 0 339.769 3.897 20 0 EHADRM CCOc1cc(-c2ccccc2)sc1C(=O)N[C@@H](C)[C@H](C)C(=O)[O-] ZINC000263483551 1123932737 /nfs/dbraw/zinc/93/27/37/1123932737.db2.gz VANNNTHNHYMPQX-RYUDHWBXSA-N -1 0 347.436 3.653 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CCC[C@H]2CCc2ccccc2)C1 ZINC000180112399 1123946827 /nfs/dbraw/zinc/94/68/27/1123946827.db2.gz PPWQPLHOSNFLII-SQNIBIBYSA-N -1 0 329.440 3.501 20 0 EHADRM C[C@@H](Oc1cccc(C(=O)/C=C/c2ccc(F)cc2F)c1)C(=O)[O-] ZINC000068726482 1124010802 /nfs/dbraw/zinc/01/08/02/1124010802.db2.gz OLQVUXHRKJWRDX-LXSSAFMLSA-N -1 0 332.302 3.713 20 0 EHADRM C[C@@H](CCC(=O)NC[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000263534059 1124014082 /nfs/dbraw/zinc/01/40/82/1124014082.db2.gz NTDLSFJTENHTBW-YJBOKZPZSA-N -1 0 325.408 3.555 20 0 EHADRM CCCC[C@H](NC(=O)c1c(C)c(C)oc1-c1ccccc1)C(=O)[O-] ZINC000263547724 1124082809 /nfs/dbraw/zinc/08/28/09/1124082809.db2.gz UVNCCVKZFXJIAQ-HNNXBMFYSA-N -1 0 329.396 3.937 20 0 EHADRM CC(C)CCc1n[n-]c(=NC(=O)c2ccn(C3CCCCC3)n2)s1 ZINC000617094500 1124083298 /nfs/dbraw/zinc/08/32/98/1124083298.db2.gz LTHNTEZPVHEIOE-UHFFFAOYSA-N -1 0 347.488 3.503 20 0 EHADRM CC(C)[C@H](NC(=O)Cc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1F ZINC000263571716 1124538459 /nfs/dbraw/zinc/53/84/59/1124538459.db2.gz JTBZPDMSNUMQHO-SFHVURJKSA-N -1 0 347.361 3.719 20 0 EHADRM CCc1oc(C(=O)N2Cc3ccccc3C[C@H]2CC)cc1C(=O)[O-] ZINC000263581037 1124695689 /nfs/dbraw/zinc/69/56/89/1124695689.db2.gz WQJDTLYJSLXNMF-CQSZACIVSA-N -1 0 327.380 3.517 20 0 EHADRM Cc1nc(C(=O)N2C[C@@H](C(C)(C)C)c3ccccc32)ccc1C(=O)[O-] ZINC000263583118 1124737221 /nfs/dbraw/zinc/73/72/21/1124737221.db2.gz ZMATVUMTOGBNGM-OAHLLOKOSA-N -1 0 338.407 3.878 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)C(C)(C)c2ccccc2)c1 ZINC000069532642 1124855948 /nfs/dbraw/zinc/85/59/48/1124855948.db2.gz XMSIUAMGFYAGAA-UHFFFAOYSA-N -1 0 331.437 3.926 20 0 EHADRM Cc1ccc(-c2ccc(C([O-])=C(C#N)C(=O)NC3CCCC3)s2)o1 ZINC000181522264 1124910819 /nfs/dbraw/zinc/91/08/19/1124910819.db2.gz UHOMJRTYZVTXFN-ZDUSSCGKSA-N -1 0 342.420 3.698 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC000450533063 1125144497 /nfs/dbraw/zinc/14/44/97/1125144497.db2.gz SPGABEZKSZXTRB-DZGCQCFKSA-N -1 0 341.382 3.932 20 0 EHADRM CCCC[C@@H](CC)CC(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000735395953 1131339334 /nfs/dbraw/zinc/33/93/34/1131339334.db2.gz JOACEFWCIJVGES-OAHLLOKOSA-N -1 0 325.474 3.715 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c1Cl ZINC000182496030 1125316882 /nfs/dbraw/zinc/31/68/82/1125316882.db2.gz YVEBBKYBSGMHQV-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM Cc1c(-c2cccc(Br)c2)[n-]n([C@H](C)C(F)(F)F)c1=O ZINC000634631476 1125322894 /nfs/dbraw/zinc/32/28/94/1125322894.db2.gz VVWJDKIEJMLJOM-JGVFFNPUSA-N -1 0 349.150 3.582 20 0 EHADRM CC(=O)c1cc(F)c([N-]C(=O)c2c(C)noc2C2CC2)c(F)c1F ZINC000763540809 1125326026 /nfs/dbraw/zinc/32/60/26/1125326026.db2.gz WYXSDNFFQSYXDA-UHFFFAOYSA-N -1 0 338.285 3.733 20 0 EHADRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2ccccc2)nc1C ZINC000182669697 1125350524 /nfs/dbraw/zinc/35/05/24/1125350524.db2.gz AWHNMRXTMDDMLJ-GOSISDBHSA-N -1 0 349.434 3.686 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cc1C(F)(F)F)c1cccc(F)c1 ZINC000152976479 1125409991 /nfs/dbraw/zinc/40/99/91/1125409991.db2.gz PKVZSBSGJBUUJM-UHFFFAOYSA-N -1 0 337.269 3.784 20 0 EHADRM CCc1noc(CC)c1CNC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000153087481 1125431949 /nfs/dbraw/zinc/43/19/49/1125431949.db2.gz QEDBUHDLFNFLIU-UHFFFAOYSA-N -1 0 343.210 3.742 20 0 EHADRM Cn1ccc2cccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)c21 ZINC000682614976 1129231789 /nfs/dbraw/zinc/23/17/89/1129231789.db2.gz GYKCPCOFASOHSS-UHFFFAOYSA-N -1 0 338.791 3.772 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)/C=C\C2CCCCC2)cc1 ZINC000735596407 1131364623 /nfs/dbraw/zinc/36/46/23/1131364623.db2.gz MFACYKULGNKUKQ-KAMYIIQDSA-N -1 0 335.469 3.581 20 0 EHADRM CCn1nc(C)c([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1C ZINC000172904967 1129310315 /nfs/dbraw/zinc/31/03/15/1129310315.db2.gz HSSRAZGODSPYNG-UHFFFAOYSA-N -1 0 348.255 3.627 20 0 EHADRM CSCCc1ccc([N-]S(=O)(=O)c2ccc(C)s2)cc1 ZINC000067899574 1129319329 /nfs/dbraw/zinc/31/93/29/1129319329.db2.gz LXECJZHJQLDDQX-UHFFFAOYSA-N -1 0 327.496 3.763 20 0 EHADRM CCc1ccc(O)c(C(=O)Nc2ccc(OCCOC)c(Cl)c2)c1 ZINC000499750485 1129455173 /nfs/dbraw/zinc/45/51/73/1129455173.db2.gz NKIGTPVKRITFLB-UHFFFAOYSA-N -1 0 349.814 3.886 20 0 EHADRM Cc1cn(-c2ccc(Cl)cc2)nc1NCc1cc(O)cc(F)c1 ZINC000466473241 1129477059 /nfs/dbraw/zinc/47/70/59/1129477059.db2.gz JZJVFVFMSFBFTJ-UHFFFAOYSA-N -1 0 331.778 3.713 20 0 EHADRM O=C(Nc1ccc(Cl)cc1Cl)c1cc(F)cc2n[nH]nc21 ZINC000499976318 1129604583 /nfs/dbraw/zinc/60/45/83/1129604583.db2.gz JQVNGXATLPMLLH-UHFFFAOYSA-N -1 0 325.130 3.656 20 0 EHADRM Cc1c2ccccc2oc1C(=O)COC(=O)c1c(F)cc([O-])cc1F ZINC000735949306 1131393568 /nfs/dbraw/zinc/39/35/68/1131393568.db2.gz BAXBAUGKIDKFCI-UHFFFAOYSA-N -1 0 346.285 3.765 20 0 EHADRM CCCCCN(C)c1ccc(F)cc1CN=c1[n-]nc(C2CC2)o1 ZINC000347816309 1129867786 /nfs/dbraw/zinc/86/77/86/1129867786.db2.gz MRMNMPZRWXZXHR-UHFFFAOYSA-N -1 0 332.423 3.747 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000673898146 1129895896 /nfs/dbraw/zinc/89/58/96/1129895896.db2.gz CDZSNPZYHXZCEZ-JKSUJKDBSA-N -1 0 345.439 3.916 20 0 EHADRM COC(=O)c1ccc(C)c(Nc2ccc(C(=O)[O-])c(F)c2F)c1C ZINC001212514722 1129927305 /nfs/dbraw/zinc/92/73/05/1129927305.db2.gz JFRQHZIPGPWIIG-UHFFFAOYSA-N -1 0 335.306 3.810 20 0 EHADRM CC(=O)c1c(F)cc(F)cc1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212515218 1129928792 /nfs/dbraw/zinc/92/87/92/1129928792.db2.gz RTAVOSCRJGQLAW-UHFFFAOYSA-N -1 0 327.233 3.887 20 0 EHADRM CCOC(=O)Nc1ccc(Nc2ccc(C(=O)[O-])c(F)c2F)cc1 ZINC001212515212 1129929073 /nfs/dbraw/zinc/92/90/73/1129929073.db2.gz RQHMVJZRQOUQOL-UHFFFAOYSA-N -1 0 336.294 3.975 20 0 EHADRM C[C@H](CC(=O)N=c1ccc(-c2ccccc2)n[n-]1)c1ccccc1F ZINC000466621793 1129980483 /nfs/dbraw/zinc/98/04/83/1129980483.db2.gz UNIUJNFHRLYLOX-CQSZACIVSA-N -1 0 335.382 3.837 20 0 EHADRM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000171013613 1129997875 /nfs/dbraw/zinc/99/78/75/1129997875.db2.gz MCMHLTPICVDJQI-SNVBAGLBSA-N -1 0 343.807 3.987 20 0 EHADRM Cc1ccc([C@@H](NC(=O)c2cccc(F)c2[O-])c2ccccn2)cc1 ZINC001128709755 1130080068 /nfs/dbraw/zinc/08/00/68/1130080068.db2.gz VGOMFBVKHUSOPX-GOSISDBHSA-N -1 0 336.366 3.754 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCC4(CC4)CC3)n2)c1 ZINC000674605132 1130144571 /nfs/dbraw/zinc/14/45/71/1130144571.db2.gz XRXQMLYPMNZHGI-UHFFFAOYSA-N -1 0 339.439 3.718 20 0 EHADRM Cc1coc(-c2ccc(C)c(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])c2)n1 ZINC000675281636 1130303155 /nfs/dbraw/zinc/30/31/55/1130303155.db2.gz DLKHCUIELLHHPH-HUUCEWRRSA-N -1 0 340.379 3.564 20 0 EHADRM CCN(CCC(F)(F)F)C(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000675962354 1130511381 /nfs/dbraw/zinc/51/13/81/1130511381.db2.gz DYKPARPWDFDKBE-SNVBAGLBSA-N -1 0 349.374 3.666 20 0 EHADRM CCCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccccc1 ZINC000727951596 1130612434 /nfs/dbraw/zinc/61/24/34/1130612434.db2.gz LRKOXDZDZJYNSC-OAHLLOKOSA-N -1 0 325.474 3.629 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-])c1csc2ccccc21 ZINC000730019343 1130667345 /nfs/dbraw/zinc/66/73/45/1130667345.db2.gz ISWQIYXSYQQZLL-IACUBPJLSA-N -1 0 329.421 3.746 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]c1cnn(-c2ccccc2Cl)c1 ZINC000730203634 1130688280 /nfs/dbraw/zinc/68/82/80/1130688280.db2.gz HBXMLYDOMHBACV-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM CCCCS(=O)(=O)[N-]C(=O)c1ccc(-c2ccc(C)cc2)cc1F ZINC000730395881 1130705452 /nfs/dbraw/zinc/70/54/52/1130705452.db2.gz ZFZFMQUOPNPLLE-UHFFFAOYSA-N -1 0 349.427 3.661 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)nc1 ZINC000731779367 1130844543 /nfs/dbraw/zinc/84/45/43/1130844543.db2.gz DNRMJMKWZVTUDA-UHFFFAOYSA-N -1 0 332.425 3.512 20 0 EHADRM CC(C)CCS(=O)(=O)[N-]C(=O)C(C)(C)CCCc1ccccc1 ZINC000733053940 1130986733 /nfs/dbraw/zinc/98/67/33/1130986733.db2.gz POWBPSYHTYKKMP-UHFFFAOYSA-N -1 0 339.501 3.528 20 0 EHADRM CCC(CC)CS(=O)(=O)[N-]C(=O)c1cc(SC)ccc1Cl ZINC000733059797 1130989590 /nfs/dbraw/zinc/98/95/90/1130989590.db2.gz CQZMRXRLWIWLEV-UHFFFAOYSA-N -1 0 349.905 3.558 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)c1ccccc1Cc1ccccc1 ZINC000733713369 1131073945 /nfs/dbraw/zinc/07/39/45/1131073945.db2.gz YYKQUFICUNNBIQ-UHFFFAOYSA-N -1 0 345.464 3.526 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)cc1 ZINC000348008323 1131126060 /nfs/dbraw/zinc/12/60/60/1131126060.db2.gz UXHBVHTUVGNSBS-HUUCEWRRSA-N -1 0 345.782 3.546 20 0 EHADRM CCc1n[n-]c(=NC(=O)N2C[C@H](C)CC[C@@H]2c2ccccc2)s1 ZINC000348089347 1131148125 /nfs/dbraw/zinc/14/81/25/1131148125.db2.gz UZSODAKSCJMQDN-TZMCWYRMSA-N -1 0 330.457 3.528 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1 ZINC000379188918 1131170320 /nfs/dbraw/zinc/17/03/20/1131170320.db2.gz IDLLHLKVANQPQF-GMXVVIOVSA-N -1 0 341.860 3.580 20 0 EHADRM CC[C@@H](C)OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000738656480 1131477508 /nfs/dbraw/zinc/47/75/08/1131477508.db2.gz NXCXOSGAXMLRET-CQSZACIVSA-N -1 0 347.436 3.751 20 0 EHADRM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)/C=C/c1ccc(Cl)cc1 ZINC000737348012 1131491309 /nfs/dbraw/zinc/49/13/09/1131491309.db2.gz SYPWPHDXNQKTIP-CNELAYHGSA-N -1 0 349.839 3.560 20 0 EHADRM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CC/C=C\c1ccccc1 ZINC000739192801 1131493375 /nfs/dbraw/zinc/49/33/75/1131493375.db2.gz PYKMPWUYPRWETK-IYCSXQJISA-N -1 0 343.448 3.687 20 0 EHADRM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@@H](C)CC(C)(C)C ZINC000737352263 1131510392 /nfs/dbraw/zinc/51/03/92/1131510392.db2.gz CPXUHSNEXYKYOD-ZIAGYGMSSA-N -1 0 325.474 3.656 20 0 EHADRM CCCn1ccc2ccc([N-]S(=O)(=O)c3ccc(Cl)nc3)cc21 ZINC000742031635 1131684936 /nfs/dbraw/zinc/68/49/36/1131684936.db2.gz DACZLPGFJWXRDR-UHFFFAOYSA-N -1 0 349.843 3.901 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nnc(C)o3)cc2)c(C)s1 ZINC000743259679 1131885778 /nfs/dbraw/zinc/88/57/78/1131885778.db2.gz JVWSYIVGUBJMBV-UHFFFAOYSA-N -1 0 349.437 3.524 20 0 EHADRM S=c1[n-]c2ccc(-c3noc(-c4cc(C5CC5)[nH]n4)n3)cc2s1 ZINC001212704240 1131953889 /nfs/dbraw/zinc/95/38/89/1131953889.db2.gz RJPYWDSRNFJTFC-UHFFFAOYSA-N -1 0 341.421 3.903 20 0 EHADRM CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000744004150 1132006660 /nfs/dbraw/zinc/00/66/60/1132006660.db2.gz DFEHLCOPJHKRHQ-GFCCVEGCSA-N -1 0 331.865 3.751 20 0 EHADRM CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000744109484 1132021668 /nfs/dbraw/zinc/02/16/68/1132021668.db2.gz WSENYWNRBRBJRC-CQSZACIVSA-N -1 0 348.468 3.646 20 0 EHADRM CC(C)[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1)c1ccccc1 ZINC000744165164 1132030660 /nfs/dbraw/zinc/03/06/60/1132030660.db2.gz KYOQIUNRYVIHRT-YJBOKZPZSA-N -1 0 345.464 3.633 20 0 EHADRM CC(=O)c1ccc(Nc2cc(Cl)c(C)cc2S(=O)(=O)[O-])cc1 ZINC001173897237 1132166595 /nfs/dbraw/zinc/16/65/95/1132166595.db2.gz SLZMZMABDWFNQZ-UHFFFAOYSA-N -1 0 339.800 3.841 20 0 EHADRM CC(C)(C)c1ccc(Nc2ccc(C(=O)NCC(=O)[O-])cc2)cc1 ZINC001173881023 1132179674 /nfs/dbraw/zinc/17/96/74/1132179674.db2.gz XILSZCAQPRLGKC-UHFFFAOYSA-N -1 0 326.396 3.542 20 0 EHADRM COc1ccc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)cc1Cl ZINC001174152765 1132256952 /nfs/dbraw/zinc/25/69/52/1132256952.db2.gz DBZLOULMXFXPNX-UHFFFAOYSA-N -1 0 348.207 3.992 20 0 EHADRM CCOC(=O)c1c([N-]c2c(C)nn(C)c2C)onc1-c1ccccc1 ZINC001174227734 1132291422 /nfs/dbraw/zinc/29/14/22/1132291422.db2.gz ZAYYJDRHOMREBQ-UHFFFAOYSA-N -1 0 340.383 3.612 20 0 EHADRM Cn1ncc2ccc(Nc3c(Cl)c(F)[n-]c(=O)c3Cl)cc21 ZINC001174339032 1132322362 /nfs/dbraw/zinc/32/23/62/1132322362.db2.gz WUNVOQGVOYLVJO-UHFFFAOYSA-N -1 0 327.146 3.863 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2ccc(F)nc2Br)c1 ZINC001174494708 1132371470 /nfs/dbraw/zinc/37/14/70/1132371470.db2.gz HGWCVHQXAVTOIX-QPJJXVBHSA-N -1 0 337.148 3.825 20 0 EHADRM COC(=O)c1cccc(Nc2cccc(/C=C/C(=O)[O-])c2)c1Cl ZINC001174497428 1132372913 /nfs/dbraw/zinc/37/29/13/1132372913.db2.gz RCJXWIYZXSBJPB-CMDGGOBGSA-N -1 0 331.755 3.968 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CNC(=O)c2ccc3[n-]c(=S)oc3c2)o1 ZINC000746135859 1132381333 /nfs/dbraw/zinc/38/13/33/1132381333.db2.gz VTQURHGFXBQIJK-CABZTGNLSA-N -1 0 328.393 3.763 20 0 EHADRM Nc1ccc(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)c(F)c1 ZINC001174482076 1132382699 /nfs/dbraw/zinc/38/26/99/1132382699.db2.gz PVBXVVSLOAFKEV-UHFFFAOYSA-N -1 0 332.356 3.551 20 0 EHADRM O=C(NCCc1ccc2ccccc2n1)c1ccc2[n-]c(=S)oc2c1 ZINC000746174474 1132387538 /nfs/dbraw/zinc/38/75/38/1132387538.db2.gz RGNPVVYNMIWYLJ-UHFFFAOYSA-N -1 0 349.415 3.637 20 0 EHADRM CNC(=O)c1ccc(Nc2ccc(Br)cc2[S-])cc1 ZINC001174514649 1132396408 /nfs/dbraw/zinc/39/64/08/1132396408.db2.gz DXIVVVCFOONVII-UHFFFAOYSA-N -1 0 337.242 3.841 20 0 EHADRM COC(=O)c1ccc(C)c(Nc2ccc(C(=O)[O-])cc2OC)c1C ZINC001174675176 1132432856 /nfs/dbraw/zinc/43/28/56/1132432856.db2.gz GWCVHXFBGRQHQM-UHFFFAOYSA-N -1 0 329.352 3.540 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ccnc(Br)c1C ZINC001174675312 1132433126 /nfs/dbraw/zinc/43/31/26/1132433126.db2.gz XOKSMCIPMSLWNR-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM CCOc1ccc(OCC)c(Nc2ccc(C(=O)[O-])cc2OC)c1 ZINC001174677235 1132434093 /nfs/dbraw/zinc/43/40/93/1132434093.db2.gz MBCCBUBNAWKVMD-UHFFFAOYSA-N -1 0 331.368 3.934 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cc(C(F)(F)F)cnc1F ZINC001174677708 1132434201 /nfs/dbraw/zinc/43/42/01/1132434201.db2.gz QFJXKRCSWRQCML-UHFFFAOYSA-N -1 0 330.237 3.690 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc2c(c1)C(C)(C)NC(=O)N2 ZINC001174679980 1132434796 /nfs/dbraw/zinc/43/47/96/1132434796.db2.gz KJAUPERSAYSFOX-UHFFFAOYSA-N -1 0 341.367 3.507 20 0 EHADRM COc1cc(Nc2ccnn2Cc2ccccc2F)ccc1C(=O)[O-] ZINC001174680838 1132434830 /nfs/dbraw/zinc/43/48/30/1132434830.db2.gz DFFKRCUGLCFOCR-UHFFFAOYSA-N -1 0 341.342 3.521 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cccc(F)c1N1CCCC1 ZINC001174680078 1132434889 /nfs/dbraw/zinc/43/48/89/1132434889.db2.gz MIYSIEHZWMMNOO-UHFFFAOYSA-N -1 0 330.359 3.876 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cccc(C(F)(F)F)c1O ZINC001174680523 1132435205 /nfs/dbraw/zinc/43/52/05/1132435205.db2.gz YIUBPMBQKJQBKF-UHFFFAOYSA-N -1 0 327.258 3.861 20 0 EHADRM COc1cc(Nc2ccnn2Cc2cccc(F)c2)ccc1C(=O)[O-] ZINC001174683160 1132436067 /nfs/dbraw/zinc/43/60/67/1132436067.db2.gz SJQTUTACXISNBW-UHFFFAOYSA-N -1 0 341.342 3.521 20 0 EHADRM CCOC(=O)C(C)(C)Oc1ccc(Nc2ccc(C(=O)[O-])s2)cc1 ZINC001174812109 1132480096 /nfs/dbraw/zinc/48/00/96/1132480096.db2.gz BPDWIDCVSAFEFZ-UHFFFAOYSA-N -1 0 349.408 3.910 20 0 EHADRM CC(C)(C)c1ccc(/C=C/C(=O)N2CCC(CC(=O)[O-])CC2)cc1 ZINC000746387973 1132506238 /nfs/dbraw/zinc/50/62/38/1132506238.db2.gz RTOOUSFUMCCKKF-RMKNXTFCSA-N -1 0 329.440 3.711 20 0 EHADRM CC[C@@](C)([N-]S(=O)(=O)/C=C\c1ccc(Cl)cc1)C(F)(F)F ZINC000746400524 1132510636 /nfs/dbraw/zinc/51/06/36/1132510636.db2.gz JXDHFJVSVOERED-JLVNDZCYSA-N -1 0 341.782 3.961 20 0 EHADRM CCOc1cc(Nc2ccc(S(=O)(=O)[O-])cc2)ccc1Cl ZINC001212579776 1132512568 /nfs/dbraw/zinc/51/25/68/1132512568.db2.gz AKBTVVLXEDPSIV-UHFFFAOYSA-N -1 0 327.789 3.729 20 0 EHADRM Cc1ccc(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)cc1N ZINC001174939258 1132513176 /nfs/dbraw/zinc/51/31/76/1132513176.db2.gz XBUKVJZQYCPYFM-UHFFFAOYSA-N -1 0 328.393 3.721 20 0 EHADRM O=C([O-])Cc1ccc(Nc2ccc(Cl)nc2Br)cc1 ZINC001174947528 1132515077 /nfs/dbraw/zinc/51/50/77/1132515077.db2.gz LPLJDADEYUZLRM-UHFFFAOYSA-N -1 0 341.592 3.868 20 0 EHADRM CC(C)(C)OC(=O)c1ccc(Nc2ccc(CC(=O)[O-])cc2)c(O)c1 ZINC001174956914 1132518066 /nfs/dbraw/zinc/51/80/66/1132518066.db2.gz UFJWKEQTIYEPKB-UHFFFAOYSA-N -1 0 343.379 3.718 20 0 EHADRM COc1ccc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)c(F)c1F ZINC001175025139 1132532541 /nfs/dbraw/zinc/53/25/41/1132532541.db2.gz AMFZMDYDRPPTOF-UHFFFAOYSA-N -1 0 349.742 3.617 20 0 EHADRM CCOc1cc(Nc2cc(C(=O)[O-])ccc2C)cc(C(=O)OC)c1 ZINC001174983992 1132535046 /nfs/dbraw/zinc/53/50/46/1132535046.db2.gz HWMHEQSDHLVASJ-UHFFFAOYSA-N -1 0 329.352 3.622 20 0 EHADRM COC(=O)c1cc(Cl)cc(Nc2cc(C(=O)[O-])ccc2C)c1O ZINC001174984857 1132536669 /nfs/dbraw/zinc/53/66/69/1132536669.db2.gz VLIJAYRCRTYEQX-UHFFFAOYSA-N -1 0 335.743 3.582 20 0 EHADRM Cc1cc(C)c(Nc2c(F)ccc(F)c2F)c(S(=O)(=O)[O-])c1 ZINC001175033136 1132544146 /nfs/dbraw/zinc/54/41/46/1132544146.db2.gz YUYQREBAIQISHH-UHFFFAOYSA-N -1 0 331.315 3.711 20 0 EHADRM CC(C)(C)c1nc2ccc(Nc3ccc(C(=O)[O-])c(F)c3)cn2n1 ZINC001175156772 1132569510 /nfs/dbraw/zinc/56/95/10/1132569510.db2.gz MAFDTOWVLWMBFC-UHFFFAOYSA-N -1 0 328.347 3.608 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(C(=O)NC3CCCC3)cc2)cc1F ZINC001175158352 1132570570 /nfs/dbraw/zinc/57/05/70/1132570570.db2.gz PNLUTOBYTHYDNC-UHFFFAOYSA-N -1 0 342.370 3.940 20 0 EHADRM CC(=O)N1CC(C)(C)c2ccc(Nc3ccc(C(=O)[O-])c(F)c3)cc21 ZINC001175158387 1132570585 /nfs/dbraw/zinc/57/05/85/1132570585.db2.gz QHWKSOFPUVPKOQ-UHFFFAOYSA-N -1 0 342.370 3.912 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(F)c(Br)c2O)cc1F ZINC001175160267 1132571656 /nfs/dbraw/zinc/57/16/56/1132571656.db2.gz GESVFRFDUUQELI-UHFFFAOYSA-N -1 0 344.111 3.875 20 0 EHADRM CCOC(=O)c1nnsc1[N-]c1cccc(C(F)(F)F)c1F ZINC001175134104 1132576499 /nfs/dbraw/zinc/57/64/99/1132576499.db2.gz INMKYBPZIOQQIU-UHFFFAOYSA-N -1 0 335.282 3.616 20 0 EHADRM COC(=O)CCc1ccc(Nc2ccc(C(=O)[O-])c(F)c2)cc1F ZINC001175161975 1132585894 /nfs/dbraw/zinc/58/58/94/1132585894.db2.gz OYPMDFZTBDNMIO-UHFFFAOYSA-N -1 0 335.306 3.512 20 0 EHADRM Cc1cnc(Nc2ccc(F)c(C(=O)[O-])c2)c(Br)c1 ZINC001175216023 1132597902 /nfs/dbraw/zinc/59/79/02/1132597902.db2.gz XGPDFFLONJDHNR-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM Cc1ccc(Br)c(Nc2ccc(F)c(C(=O)[O-])c2)n1 ZINC001175215639 1132597990 /nfs/dbraw/zinc/59/79/90/1132597990.db2.gz PFTPGOVMYYQILY-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM COCCCOc1ccc(Nc2ccc(F)c(C(=O)[O-])c2)cc1F ZINC001175218640 1132598136 /nfs/dbraw/zinc/59/81/36/1132598136.db2.gz JGGPZBCZDKKTNS-UHFFFAOYSA-N -1 0 337.322 3.822 20 0 EHADRM CCOc1cccc(F)c1Nc1c(C)cc(C)cc1S(=O)(=O)[O-] ZINC001175225251 1132600863 /nfs/dbraw/zinc/60/08/63/1132600863.db2.gz QQVURMXWRNCEAB-UHFFFAOYSA-N -1 0 339.388 3.832 20 0 EHADRM CSc1ccc(C)c(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001168914888 1132604961 /nfs/dbraw/zinc/60/49/61/1132604961.db2.gz QMROBQDAANKLKK-UHFFFAOYSA-N -1 0 339.420 3.861 20 0 EHADRM COC(=O)c1scc(C)c1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175314771 1132634978 /nfs/dbraw/zinc/63/49/78/1132634978.db2.gz ZGNPVYWNVGRSLS-UHFFFAOYSA-N -1 0 325.773 3.938 20 0 EHADRM COC(=O)c1c(Cl)cc(Cl)nc1Nc1cccc(C(=O)[O-])c1 ZINC001175327600 1132638879 /nfs/dbraw/zinc/63/88/79/1132638879.db2.gz QBIJYQCJXZLJCP-UHFFFAOYSA-N -1 0 341.150 3.617 20 0 EHADRM CCOC(=O)c1ccc2c(cccc2Nc2cccc(C(=O)[O-])c2)n1 ZINC001175335038 1132642114 /nfs/dbraw/zinc/64/21/14/1132642114.db2.gz QMHBVPYHNCFIOL-UHFFFAOYSA-N -1 0 336.347 3.853 20 0 EHADRM O=C(CCc1cc(F)ccn1)Nc1c(Cl)ccc([O-])c1Cl ZINC001175431906 1132668064 /nfs/dbraw/zinc/66/80/64/1132668064.db2.gz ZXUIXEZAUGZOJT-UHFFFAOYSA-N -1 0 329.158 3.804 20 0 EHADRM CC(C)[C@@H](C(=O)Nc1nccc(Br)c1[O-])c1ccccc1 ZINC001169383501 1132743531 /nfs/dbraw/zinc/74/35/31/1132743531.db2.gz WKEWFXOWMWJMNF-CYBMUJFWSA-N -1 0 349.228 3.928 20 0 EHADRM CC(C)COc1cc(Br)cc(NCc2cc(=O)[n-]o2)c1 ZINC001169493105 1132770148 /nfs/dbraw/zinc/77/01/48/1132770148.db2.gz SPYQSIUIODFWFA-UHFFFAOYSA-N -1 0 341.205 3.790 20 0 EHADRM O=C([O-])c1cncc(Nc2cc(Br)c(F)cc2F)c1 ZINC001175841912 1132772457 /nfs/dbraw/zinc/77/24/57/1132772457.db2.gz DTYCHFKCTHDTNZ-UHFFFAOYSA-N -1 0 329.100 3.564 20 0 EHADRM O=C([O-])c1cncc(Nc2cc3cc(Br)ccc3cn2)c1 ZINC001175840268 1132772520 /nfs/dbraw/zinc/77/25/20/1132772520.db2.gz IZLQIODZYPDXBH-UHFFFAOYSA-N -1 0 344.168 3.834 20 0 EHADRM CCCCC(=O)[C@H](C)Nc1cc(Br)cc(C(=O)[O-])c1 ZINC001169550991 1132784281 /nfs/dbraw/zinc/78/42/81/1132784281.db2.gz LUTICCIXRBMYNR-VIFPVBQESA-N -1 0 328.206 3.707 20 0 EHADRM Nc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)c2ccccc12 ZINC001175953754 1132811138 /nfs/dbraw/zinc/81/11/38/1132811138.db2.gz BJCZNNYWEKHGFH-UHFFFAOYSA-N -1 0 334.347 3.501 20 0 EHADRM CCOC(=O)C[C@@H](Nc1ccc2oc(=S)[n-]c2c1)c1cccnc1 ZINC001169678905 1132817146 /nfs/dbraw/zinc/81/71/46/1132817146.db2.gz XVPFPBUYAQNSGV-CYBMUJFWSA-N -1 0 343.408 3.618 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2ccc(Cl)c(O)c2)c(Cl)c1 ZINC001212594425 1132844126 /nfs/dbraw/zinc/84/41/26/1132844126.db2.gz YZPKSTQBURHYNN-UHFFFAOYSA-N -1 0 334.180 3.689 20 0 EHADRM CC(=O)c1sc(-c2ccccc2)cc1Nc1cnn(CC(=O)[O-])c1 ZINC001176264352 1132897825 /nfs/dbraw/zinc/89/78/25/1132897825.db2.gz BETGVFORUGBSAG-UHFFFAOYSA-N -1 0 341.392 3.642 20 0 EHADRM COc1cc2c(cc1Nc1cnn(CC(=O)[O-])c1)oc1ccccc12 ZINC001176271392 1132900001 /nfs/dbraw/zinc/90/00/01/1132900001.db2.gz VNFHXOVIBALFEK-UHFFFAOYSA-N -1 0 337.335 3.619 20 0 EHADRM COc1ccc(Cn2nc(C)cc2Nc2csc(C(=O)[O-])c2)cc1 ZINC001176436423 1132928653 /nfs/dbraw/zinc/92/86/53/1132928653.db2.gz MNNHSHNKYBSIDK-UHFFFAOYSA-N -1 0 343.408 3.752 20 0 EHADRM COc1ccccc1-n1ncc(C)c1Nc1csc(C(=O)[O-])c1 ZINC001176435786 1132928895 /nfs/dbraw/zinc/92/88/95/1132928895.db2.gz GBTBHAFTGLAQAZ-UHFFFAOYSA-N -1 0 329.381 3.693 20 0 EHADRM Cc1cc(O)c(Nc2csc(C(=O)[O-])c2)cc1Br ZINC001176441894 1132930758 /nfs/dbraw/zinc/93/07/58/1132930758.db2.gz XEHUXLKQNGNLKG-UHFFFAOYSA-N -1 0 328.187 3.966 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)/C=C/c1ccccc1Cl)c1ccccc1 ZINC000767067248 1132940849 /nfs/dbraw/zinc/94/08/49/1132940849.db2.gz IKNGPCQMGWZENT-DISDOXMVSA-N -1 0 343.810 3.931 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3csc(Br)n3)cc2)CC1 ZINC001176584452 1132960462 /nfs/dbraw/zinc/96/04/62/1132960462.db2.gz LZTXISMIHWGKQF-UHFFFAOYSA-N -1 0 339.214 3.765 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3ncccc3OC(F)(F)F)cc2)CC1 ZINC001176584001 1132960572 /nfs/dbraw/zinc/96/05/72/1132960572.db2.gz CBPCDOKSDNWHAK-UHFFFAOYSA-N -1 0 338.285 3.840 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3cc(-c4ccccn4)c[nH]c3=O)cc2)CC1 ZINC001176584638 1132960763 /nfs/dbraw/zinc/96/07/63/1132960763.db2.gz OGGMGKBRNJBBSE-UHFFFAOYSA-N -1 0 347.374 3.709 20 0 EHADRM COc1cnc(Br)c(Nc2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC001176588383 1132961798 /nfs/dbraw/zinc/96/17/98/1132961798.db2.gz FUGGMZQPFQALLO-QPJJXVBHSA-N -1 0 349.184 3.694 20 0 EHADRM CCN1Cc2cc(Nc3ccc(C4(C(=O)[O-])CC4)cc3)ccc2C1=O ZINC001176589747 1132962717 /nfs/dbraw/zinc/96/27/17/1132962717.db2.gz YEXQPKZFMAJDNO-UHFFFAOYSA-N -1 0 336.391 3.522 20 0 EHADRM COc1ccc2c(c1Nc1ccc(C3(C(=O)[O-])CC3)cc1)C(=O)CC2 ZINC001176589967 1132962792 /nfs/dbraw/zinc/96/27/92/1132962792.db2.gz JXNCQQWIYMDDNI-UHFFFAOYSA-N -1 0 337.375 3.684 20 0 EHADRM Nc1c(F)c(F)c(Nc2ccc(/C=C/C(=O)[O-])cc2)c(F)c1F ZINC001176595537 1132964288 /nfs/dbraw/zinc/96/42/88/1132964288.db2.gz KZOZYRFOUXNIBM-ZZXKWVIFSA-N -1 0 326.249 3.667 20 0 EHADRM COCCOc1c(F)cccc1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176597494 1132976381 /nfs/dbraw/zinc/97/63/81/1132976381.db2.gz REIMNDAPSKSGGT-JXMROGBWSA-N -1 0 331.343 3.692 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(Cl)cnc2Br)cc1 ZINC001176712010 1132995088 /nfs/dbraw/zinc/99/50/88/1132995088.db2.gz VXLSKJDPELNHOJ-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM COc1cccc(C(=O)C(F)(F)F)c1Nc1ccc(C(=O)[O-])cc1 ZINC001176713909 1132996103 /nfs/dbraw/zinc/99/61/03/1132996103.db2.gz XBLZXHAWGULOTH-UHFFFAOYSA-N -1 0 339.269 3.882 20 0 EHADRM CC[C@H](C)[C@@H]([N-]S(=O)(=O)C1=Cc2ccccc2CC1)C(F)(F)F ZINC000767608568 1133024473 /nfs/dbraw/zinc/02/44/73/1133024473.db2.gz XUPMGZRZAQXMDF-XHDPSFHLSA-N -1 0 347.402 3.870 20 0 EHADRM COC(=O)c1c(F)ccc(SC)c1-c1csc(C(=O)[O-])c1 ZINC001206303707 1133064248 /nfs/dbraw/zinc/06/42/48/1133064248.db2.gz QSRYOVJDFJISBD-UHFFFAOYSA-N -1 0 326.370 3.761 20 0 EHADRM O=C(Cc1cc(Cl)ccn1)Nc1c(Cl)ccc([O-])c1Cl ZINC001177658349 1133093057 /nfs/dbraw/zinc/09/30/57/1133093057.db2.gz PDFBLXCMVFWTDV-UHFFFAOYSA-N -1 0 331.586 3.929 20 0 EHADRM O=C(c1n[n-]c2ccccc2c1=O)N1CCC[C@H]1CCC1CCCC1 ZINC000768330845 1133125665 /nfs/dbraw/zinc/12/56/65/1133125665.db2.gz UPAKKOAZRZZEFM-HNNXBMFYSA-N -1 0 339.439 3.910 20 0 EHADRM O=C(OCc1ccc(C(F)(F)F)cn1)c1ccc([O-])c(Cl)c1 ZINC000768376526 1133134131 /nfs/dbraw/zinc/13/41/31/1133134131.db2.gz XDRAPVRGSUPFIL-UHFFFAOYSA-N -1 0 331.677 3.816 20 0 EHADRM Cc1c(Cl)cc(NC(=O)C(C)(C)c2cnccn2)c([O-])c1Cl ZINC001178197184 1133141664 /nfs/dbraw/zinc/14/16/64/1133141664.db2.gz KMFDGYOGRPRSGI-UHFFFAOYSA-N -1 0 340.210 3.714 20 0 EHADRM Cc1ncoc1-c1ccc(NC(=O)c2cc(F)cc(F)c2[O-])cc1 ZINC001178330421 1133156061 /nfs/dbraw/zinc/15/60/61/1133156061.db2.gz WNLLQROYHZKWRA-UHFFFAOYSA-N -1 0 330.290 3.886 20 0 EHADRM CC1(C)CCC(C(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000768760080 1133173815 /nfs/dbraw/zinc/17/38/15/1133173815.db2.gz DHHRSCRWNVWNGC-UHFFFAOYSA-N -1 0 345.464 3.861 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1sccc1-c1ccc(F)cc1)C(=O)[O-] ZINC000769546041 1133312739 /nfs/dbraw/zinc/31/27/39/1133312739.db2.gz SAKVVYVOHRVYFF-CQSZACIVSA-N -1 0 335.400 3.783 20 0 EHADRM COCCOc1cc(C)ccc1NC(=O)c1c([O-])cccc1Cl ZINC000769711829 1133333841 /nfs/dbraw/zinc/33/38/41/1133333841.db2.gz IVGVRIFJCVIODM-UHFFFAOYSA-N -1 0 335.787 3.632 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cnn(C)c2C2CC2)cc1 ZINC000769869907 1133360755 /nfs/dbraw/zinc/36/07/55/1133360755.db2.gz TXYKDBDDIAPZFT-UHFFFAOYSA-N -1 0 347.484 3.786 20 0 EHADRM CCC[C@](C)(NC(=O)c1n[n-]c2ccccc2c1=O)c1ccccc1 ZINC001180680779 1133405916 /nfs/dbraw/zinc/40/59/16/1133405916.db2.gz AKMOYRYAASBLME-FQEVSTJZSA-N -1 0 335.407 3.781 20 0 EHADRM O=C(/C=C/c1cncc(F)c1)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000770452947 1133432641 /nfs/dbraw/zinc/43/26/41/1133432641.db2.gz SERYFIYKSVMZEX-OWOJBTEDSA-N -1 0 327.142 3.885 20 0 EHADRM COC(=Cc1ccccc1)C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000774067677 1133601608 /nfs/dbraw/zinc/60/16/08/1133601608.db2.gz OFLJUIHGYHOZIZ-DHDCSXOGSA-N -1 0 326.377 3.743 20 0 EHADRM CC(=O)Nc1ccc(OC(=O)c2cc(F)c([O-])c(Cl)c2)c(F)c1 ZINC000772312342 1133671121 /nfs/dbraw/zinc/67/11/21/1133671121.db2.gz UKLBGSZYDOLYOU-UHFFFAOYSA-N -1 0 341.697 3.501 20 0 EHADRM O=C(Cc1ccc2c(c1)OCC2)Nc1c(Cl)ccc([O-])c1Cl ZINC001182651088 1133715468 /nfs/dbraw/zinc/71/54/68/1133715468.db2.gz LDEQLVVAUYXDRQ-UHFFFAOYSA-N -1 0 338.190 3.815 20 0 EHADRM CCC[C@](C)(CC)C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000796894855 1133766113 /nfs/dbraw/zinc/76/61/13/1133766113.db2.gz ZITOATKFUMZQMB-HNNXBMFYSA-N -1 0 349.855 3.642 20 0 EHADRM O=C(Cc1ccc([S-])cc1)N[C@H](c1ccccc1)c1ccncc1 ZINC001183186419 1133776964 /nfs/dbraw/zinc/77/69/64/1133776964.db2.gz CHAMASGKKFCJMH-HXUWFJFHSA-N -1 0 334.444 3.819 20 0 EHADRM CSCc1ccc(CNC(=O)c2cc(F)cc(Cl)c2[O-])cc1 ZINC001183415451 1133804381 /nfs/dbraw/zinc/80/43/81/1133804381.db2.gz LXHHULVYYQBHMW-UHFFFAOYSA-N -1 0 339.819 3.978 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC001183610235 1133827852 /nfs/dbraw/zinc/82/78/52/1133827852.db2.gz GBJVIMPVJQLKOV-DGCLKSJQSA-N -1 0 345.468 3.570 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)[C@@H]1CCC(=O)c2ccccc21 ZINC000786349160 1133834508 /nfs/dbraw/zinc/83/45/08/1133834508.db2.gz FJLCWQASKSFKMX-CYBMUJFWSA-N -1 0 338.388 3.815 20 0 EHADRM CCCC(C)(C)CC(=O)[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000786512607 1133867400 /nfs/dbraw/zinc/86/74/00/1133867400.db2.gz RRRHNAYJEUMNBU-UHFFFAOYSA-N -1 0 349.855 3.642 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]C(=O)C[C@@H](C)CC(C)(C)C ZINC000786644473 1133886460 /nfs/dbraw/zinc/88/64/60/1133886460.db2.gz BWJWRVPQBPPTOT-CYBMUJFWSA-N -1 0 325.474 3.516 20 0 EHADRM CC(C)[C@H]([N-]S(=O)(=O)/C=C\c1ccc(Cl)cc1)C(F)(F)F ZINC000786891959 1133917054 /nfs/dbraw/zinc/91/70/54/1133917054.db2.gz SPKLGZGXAHCANC-KRZKBDHCSA-N -1 0 341.782 3.817 20 0 EHADRM COC(=O)CC1(CC(=O)Nc2ccc3[n-]c(=S)oc3c2)CCCC1 ZINC000787121682 1133953815 /nfs/dbraw/zinc/95/38/15/1133953815.db2.gz MOLWUIYAHXUBAI-UHFFFAOYSA-N -1 0 348.424 3.569 20 0 EHADRM O=S(=O)([N-]c1cccnc1-c1ccccc1)c1cccnc1Cl ZINC001184836065 1133995375 /nfs/dbraw/zinc/99/53/75/1133995375.db2.gz KZQPMDWMVLIDJW-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccccc2)nc1)c1cccnc1Cl ZINC001184835006 1133995594 /nfs/dbraw/zinc/99/55/94/1133995594.db2.gz PDKYRNVJZTZMQW-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM O=S(=O)([N-]c1cncc(OCc2ccccc2)c1)c1ccsc1 ZINC001185352704 1134070778 /nfs/dbraw/zinc/07/07/78/1134070778.db2.gz SLVVQTXASJXWAJ-UHFFFAOYSA-N -1 0 346.433 3.523 20 0 EHADRM O=S(=O)(Nc1cccc(OC(F)(F)F)c1F)c1ccsc1 ZINC001185390335 1134076679 /nfs/dbraw/zinc/07/66/79/1134076679.db2.gz FSAYTSWNMKGQCV-UHFFFAOYSA-N -1 0 341.307 3.587 20 0 EHADRM CCc1cc(Br)cc([N-]S(=O)(=O)c2ccsc2)c1 ZINC001185391407 1134077923 /nfs/dbraw/zinc/07/79/23/1134077923.db2.gz KYPPXBHLXIXGGD-UHFFFAOYSA-N -1 0 346.271 3.874 20 0 EHADRM CCOc1cc([N-]S(=O)(=O)c2cc3ccccc3s2)cc(C)n1 ZINC001185429037 1134084123 /nfs/dbraw/zinc/08/41/23/1134084123.db2.gz GZMQIZUGSBURJB-UHFFFAOYSA-N -1 0 348.449 3.804 20 0 EHADRM CCc1nccc(C)c1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185434282 1134085307 /nfs/dbraw/zinc/08/53/07/1134085307.db2.gz WLJWRVQDTCTSGM-UHFFFAOYSA-N -1 0 332.450 3.968 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc3ccccc3n2C)ccc1Cl ZINC001185495925 1134098865 /nfs/dbraw/zinc/09/88/65/1134098865.db2.gz DSPHUBOASSQBAJ-UHFFFAOYSA-N -1 0 334.828 3.941 20 0 EHADRM CCCCC[C@H](NC(=O)Nc1ccc(Br)cc1)C(=O)[O-] ZINC000788321269 1134113757 /nfs/dbraw/zinc/11/37/57/1134113757.db2.gz RLKKZAPAUUOSLV-LBPRGKRZSA-N -1 0 343.221 3.604 20 0 EHADRM CCC(CC)[C@@H]([N-]S(=O)(=O)c1conc1C)c1cccs1 ZINC001185720863 1134125229 /nfs/dbraw/zinc/12/52/29/1134125229.db2.gz JOLHNXXTWMCAKK-CQSZACIVSA-N -1 0 328.459 3.500 20 0 EHADRM Cc1ccc2cccc(S(=O)(=O)[N-]c3ccc(Cl)nc3C)c2n1 ZINC000788492381 1134131791 /nfs/dbraw/zinc/13/17/91/1134131791.db2.gz VKNRZQXMOXVNDU-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM O=S(=O)(NC12CCC(CC1)C2)c1ccc(Cl)c(F)c1Cl ZINC000788905091 1134191620 /nfs/dbraw/zinc/19/16/20/1134191620.db2.gz GRBHPCXXZNCJRP-UHFFFAOYSA-N -1 0 338.231 3.744 20 0 EHADRM CCCCC[C@H](C(=O)[N-]S(=O)(=O)c1cccc(F)c1F)C(C)C ZINC000775006765 1134203983 /nfs/dbraw/zinc/20/39/83/1134203983.db2.gz XKPXPAMBVCLSQZ-LBPRGKRZSA-N -1 0 347.427 3.622 20 0 EHADRM Cn1nc(C(C)(C)C)cc1[N-]S(=O)(=O)c1csc2ccccc21 ZINC001186455051 1134215215 /nfs/dbraw/zinc/21/52/15/1134215215.db2.gz PVPUAKDJQRKFOE-UHFFFAOYSA-N -1 0 349.481 3.733 20 0 EHADRM CC[C@@H](C)[C@H](C)N(C1CC1)S(=O)(=O)c1cccc(Cl)c1[O-] ZINC001186742288 1134250605 /nfs/dbraw/zinc/25/06/05/1134250605.db2.gz ODYDJIFLDFDCGW-MNOVXSKESA-N -1 0 331.865 3.633 20 0 EHADRM CC(=O)c1sc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccco1 ZINC001186806177 1134255091 /nfs/dbraw/zinc/25/50/91/1134255091.db2.gz SVGPDFJEDAFQHF-UHFFFAOYSA-N -1 0 327.427 3.642 20 0 EHADRM COc1nc(NC(=O)c2cc(F)c(F)c([O-])c2F)cc2ccccc21 ZINC001186770794 1134255852 /nfs/dbraw/zinc/25/58/52/1134255852.db2.gz LXBGOPZJQUPOPP-UHFFFAOYSA-N -1 0 348.280 3.619 20 0 EHADRM CCCCOc1c(F)c(F)ccc1[N-]S(=O)(=O)c1ccco1 ZINC001186856689 1134269713 /nfs/dbraw/zinc/26/97/13/1134269713.db2.gz SVAUZOZHLIAMIX-UHFFFAOYSA-N -1 0 331.340 3.538 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)[C@H]2CCCCC2(C)C)c1Cl ZINC000789468136 1134280356 /nfs/dbraw/zinc/28/03/56/1134280356.db2.gz SPDVRFJFFLQDJO-GFCCVEGCSA-N -1 0 343.876 3.670 20 0 EHADRM CC1(C)CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000789489663 1134282566 /nfs/dbraw/zinc/28/25/66/1134282566.db2.gz WEDIWOWWVJRDMY-INIZCTEOSA-N -1 0 345.464 3.861 20 0 EHADRM O=C(Nc1ccccc1[S-])c1ccc(OC[C@@H]2CCCO2)cc1 ZINC001187031568 1134292619 /nfs/dbraw/zinc/29/26/19/1134292619.db2.gz OEZRTZVNNWPUFE-HNNXBMFYSA-N -1 0 329.421 3.785 20 0 EHADRM Cc1nc2cc([N-]S(=O)(=O)c3cc4c(s3)CCCC4)ccc2o1 ZINC001187207094 1134314290 /nfs/dbraw/zinc/31/42/90/1134314290.db2.gz QUDLKVCOJXRGCU-UHFFFAOYSA-N -1 0 348.449 3.877 20 0 EHADRM COc1cccc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)c1C ZINC001187210583 1134314699 /nfs/dbraw/zinc/31/46/99/1134314699.db2.gz VEDKWCZFXDLFJE-UHFFFAOYSA-N -1 0 337.466 3.745 20 0 EHADRM Cc1oncc1S(=O)(=O)[N-]c1cccc(C)c1Oc1ccccc1 ZINC001187369376 1134327435 /nfs/dbraw/zinc/32/74/35/1134327435.db2.gz UHDHYKXKSRUQGN-UHFFFAOYSA-N -1 0 344.392 3.885 20 0 EHADRM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1cnc(CC2CC2)nc1 ZINC000789739402 1134330698 /nfs/dbraw/zinc/33/06/98/1134330698.db2.gz VQDMJGZKKPYOCR-UHFFFAOYSA-N -1 0 345.468 3.527 20 0 EHADRM CCC(CC)Oc1cccc(F)c1[N-]S(=O)(=O)c1nccs1 ZINC001187899911 1134394819 /nfs/dbraw/zinc/39/48/19/1134394819.db2.gz ZKWTWWMLZZCYAD-UHFFFAOYSA-N -1 0 344.433 3.650 20 0 EHADRM CCCC[C@@H](CC)C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000790477358 1134422421 /nfs/dbraw/zinc/42/24/21/1134422421.db2.gz DINOLFYBBFXDFE-ABAIWWIYSA-N -1 0 327.371 3.813 20 0 EHADRM O=S(=O)([N-]c1cc(-c2ccc(C(F)(F)F)cc2)no1)C1CCC1 ZINC001188108443 1134428709 /nfs/dbraw/zinc/42/87/09/1134428709.db2.gz CGOUNQBGEHTMHJ-UHFFFAOYSA-N -1 0 346.330 3.655 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)sc2c1)c1nc(C(F)(F)F)c[nH]1 ZINC001188287357 1134450895 /nfs/dbraw/zinc/45/08/95/1134450895.db2.gz GYSKMHZHBHKUMO-UHFFFAOYSA-N -1 0 344.343 3.579 20 0 EHADRM O=S(=O)([N-]c1ccnc2cc(C(F)(F)F)ccc12)c1ccoc1 ZINC001188570560 1134477126 /nfs/dbraw/zinc/47/71/26/1134477126.db2.gz JQODNCBDZRDERU-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM CC(=O)c1sc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccoc1 ZINC001188570625 1134477845 /nfs/dbraw/zinc/47/78/45/1134477845.db2.gz MAVCSRVLANDXLS-UHFFFAOYSA-N -1 0 327.427 3.642 20 0 EHADRM Cc1ccc(-c2cc(COC(=O)c3c(F)cc([O-])cc3F)on2)cc1 ZINC000746987206 1134517043 /nfs/dbraw/zinc/51/70/43/1134517043.db2.gz RNNBYFNHQMKGFI-UHFFFAOYSA-N -1 0 345.301 3.991 20 0 EHADRM O=C([N-]c1c(Cl)cnnc1Cl)c1cc(-c2cccs2)on1 ZINC001189182844 1134549613 /nfs/dbraw/zinc/54/96/13/1134549613.db2.gz FEFMQIDWOYJGIY-UHFFFAOYSA-N -1 0 341.179 3.752 20 0 EHADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)Cc1ccc(F)c(F)c1 ZINC001189265026 1134563989 /nfs/dbraw/zinc/56/39/89/1134563989.db2.gz YLJNBZIVQLBSAC-UHFFFAOYSA-N -1 0 347.770 3.569 20 0 EHADRM CCOc1ccc(C)cc1NS(=O)(=O)Cc1ccc(F)c(F)c1 ZINC001189309599 1134568699 /nfs/dbraw/zinc/56/86/99/1134568699.db2.gz IOAXUHKREAHFGS-UHFFFAOYSA-N -1 0 341.379 3.614 20 0 EHADRM Cc1ccnc2c([N-]S(=O)(=O)Cc3ccc(F)c(F)c3)cccc12 ZINC001189318531 1134570112 /nfs/dbraw/zinc/57/01/12/1134570112.db2.gz UTNYQBQOSGKNQE-UHFFFAOYSA-N -1 0 348.374 3.763 20 0 EHADRM O=S(=O)(Nc1ccc2ncoc2c1)c1ccc(F)c2ccccc21 ZINC001189347950 1134574543 /nfs/dbraw/zinc/57/45/43/1134574543.db2.gz NWEIIJHUEFMDGB-UHFFFAOYSA-N -1 0 342.351 3.921 20 0 EHADRM O=S(=O)([N-]c1cccc(F)c1O)c1ccc(F)c2ccccc21 ZINC001189385280 1134577569 /nfs/dbraw/zinc/57/75/69/1134577569.db2.gz JMXCRBHORBCPKQ-UHFFFAOYSA-N -1 0 335.331 3.624 20 0 EHADRM CCOc1cc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)ccn1 ZINC001189356109 1134579812 /nfs/dbraw/zinc/57/98/12/1134579812.db2.gz LUXOWTGRYPUSKG-UHFFFAOYSA-N -1 0 346.383 3.573 20 0 EHADRM Cc1ccc2cccc([N-]S(=O)(=O)Cc3cc(F)ccc3F)c2n1 ZINC001189686114 1134610281 /nfs/dbraw/zinc/61/02/81/1134610281.db2.gz AJLUBUGRKVYRKQ-UHFFFAOYSA-N -1 0 348.374 3.763 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(C(F)F)nc2)c1 ZINC001191154315 1134802388 /nfs/dbraw/zinc/80/23/88/1134802388.db2.gz XAXWRXYSHJRQKD-UHFFFAOYSA-N -1 0 349.362 3.677 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2ccnn2CC2CCC2)cc1 ZINC001191233586 1134832179 /nfs/dbraw/zinc/83/21/79/1134832179.db2.gz WNFXQZGEQJNUPL-UHFFFAOYSA-N -1 0 347.484 3.827 20 0 EHADRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cccc(C2CC2)n1 ZINC001191671264 1134897193 /nfs/dbraw/zinc/89/71/93/1134897193.db2.gz PPKGIZIWSBNMDJ-UHFFFAOYSA-N -1 0 346.452 3.892 20 0 EHADRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc2ocnc2c1 ZINC001191695003 1134907947 /nfs/dbraw/zinc/90/79/47/1134907947.db2.gz MLVMDEWMKMDTRW-UHFFFAOYSA-N -1 0 346.408 3.761 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(C(C)=O)ccc1C ZINC001191828131 1134932144 /nfs/dbraw/zinc/93/21/44/1134932144.db2.gz JNTOGYJWHZFROQ-UHFFFAOYSA-N -1 0 347.436 3.706 20 0 EHADRM CCCc1cc(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)ccc1F ZINC001191993286 1134950024 /nfs/dbraw/zinc/95/00/24/1134950024.db2.gz KLDKJBLVMJTRTA-UHFFFAOYSA-N -1 0 339.370 3.922 20 0 EHADRM O=S(=O)([N-]c1cccc(F)c1Cl)C(Cl)(Cl)Cl ZINC001192032278 1134958339 /nfs/dbraw/zinc/95/83/39/1134958339.db2.gz PBXHCEUNZMMJLQ-UHFFFAOYSA-N -1 0 326.991 3.549 20 0 EHADRM Cc1ccccc1[C@H](NS(=O)(=O)c1ncc[n-]1)C1CCC(C)CC1 ZINC001192055880 1134961641 /nfs/dbraw/zinc/96/16/41/1134961641.db2.gz GCBUOPREMKGUCK-PUJMQQBBSA-N -1 0 347.484 3.564 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(-c3ccc(C)cc3)cc2)n(C)n1 ZINC001192065986 1134963523 /nfs/dbraw/zinc/96/35/23/1134963523.db2.gz YCLOEBPTIJXXKG-UHFFFAOYSA-N -1 0 341.436 3.505 20 0 EHADRM Cc1ccc2c([N-]S(=O)(=O)c3cnc(Cl)cc3C)cccc2n1 ZINC001192357612 1135005370 /nfs/dbraw/zinc/00/53/70/1135005370.db2.gz CTBCSKJISDPCGA-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM O=C(Nc1noc2cccnc21)c1ccc(Cl)nc1C(F)(F)F ZINC001192466236 1135016802 /nfs/dbraw/zinc/01/68/02/1135016802.db2.gz USWOJVQXMBOMCA-UHFFFAOYSA-N -1 0 342.664 3.542 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2-n2cccc2)cnc1Cl ZINC001192570477 1135031658 /nfs/dbraw/zinc/03/16/58/1135031658.db2.gz JDKOLPBRGXVXGN-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC(F)(F)CC3)n2)cc1 ZINC000794291769 1135037384 /nfs/dbraw/zinc/03/73/84/1135037384.db2.gz ZOCZZYXCYJLRNL-UHFFFAOYSA-N -1 0 349.381 3.573 20 0 EHADRM Cc1nc2c(F)cccc2cc1NC(=O)c1c(F)ccc(F)c1[O-] ZINC001192694390 1135045274 /nfs/dbraw/zinc/04/52/74/1135045274.db2.gz WUTNWAYPVYRCBQ-UHFFFAOYSA-N -1 0 332.281 3.918 20 0 EHADRM O=C(Nc1ncccc1-c1ccccc1)c1c(F)ccc(F)c1[O-] ZINC001192694153 1135045527 /nfs/dbraw/zinc/04/55/27/1135045527.db2.gz BUJHTLRHQPHGHT-UHFFFAOYSA-N -1 0 326.302 3.985 20 0 EHADRM O=C(Nc1cc(F)cc(Br)c1)c1c([O-])ccc(F)c1F ZINC001192764046 1135052630 /nfs/dbraw/zinc/05/26/30/1135052630.db2.gz CZHAYYULFVBPAN-UHFFFAOYSA-N -1 0 346.102 3.824 20 0 EHADRM O=C(N[C@H](c1ccccc1)c1ccncc1)c1c([O-])ccc(F)c1F ZINC001192769927 1135053349 /nfs/dbraw/zinc/05/33/49/1135053349.db2.gz PWJNKYBAUBOWJI-GOSISDBHSA-N -1 0 340.329 3.585 20 0 EHADRM COc1cc(OC)c(NC(=O)c2ccc(F)c(F)c2[O-])cc1Cl ZINC001192784804 1135054005 /nfs/dbraw/zinc/05/40/05/1135054005.db2.gz PYBBKZUQIHBPLT-UHFFFAOYSA-N -1 0 343.713 3.593 20 0 EHADRM Cc1ccc2[nH]cc(CN(C)C(=O)c3ccc(F)c(F)c3[O-])c2c1 ZINC001192807773 1135056651 /nfs/dbraw/zinc/05/66/51/1135056651.db2.gz YGKLORASXJEVSM-UHFFFAOYSA-N -1 0 330.334 3.732 20 0 EHADRM O=C(Nc1ccc2ncnc(Cl)c2c1)c1ccc(F)c(F)c1[O-] ZINC001192810852 1135057784 /nfs/dbraw/zinc/05/77/84/1135057784.db2.gz OERPGTVHQISIDM-UHFFFAOYSA-N -1 0 335.697 3.519 20 0 EHADRM Cc1cn(-c2ccc(NC(=O)c3ccc(F)c(F)c3[O-])cc2F)cn1 ZINC001192811671 1135058373 /nfs/dbraw/zinc/05/83/73/1135058373.db2.gz VWYFNEJNMXLSMK-UHFFFAOYSA-N -1 0 347.296 3.556 20 0 EHADRM Cc1cc(Cl)cc(C)c1[N-]S(=O)(=O)c1cnccc1Cl ZINC001192897123 1135069560 /nfs/dbraw/zinc/06/95/60/1135069560.db2.gz IVRFJJNJWHMZMD-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM O=C(CSc1n[n-]c(=S)s1)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000775559157 1135084431 /nfs/dbraw/zinc/08/44/31/1135084431.db2.gz DDLYOKLUJSOBET-UHFFFAOYSA-N -1 0 348.478 3.553 20 0 EHADRM O=C(Nc1ccccc1-n1cccn1)c1cc(Cl)nc(Cl)c1[O-] ZINC001193089654 1135098473 /nfs/dbraw/zinc/09/84/73/1135098473.db2.gz LZQRBVVCBIMHOE-UHFFFAOYSA-N -1 0 349.177 3.532 20 0 EHADRM CS(=O)(=O)c1ccc(Nc2cc(C(F)(F)F)ccc2[S-])cn1 ZINC001205631187 1135131172 /nfs/dbraw/zinc/13/11/72/1135131172.db2.gz JOOVDNABMWGXEJ-UHFFFAOYSA-N -1 0 348.371 3.536 20 0 EHADRM O=C(c1ccc(F)c([O-])c1F)N1CCC[C@@H]1c1ccc(F)cc1F ZINC001193785262 1135180492 /nfs/dbraw/zinc/18/04/92/1135180492.db2.gz YFVJEQWDAWYXFZ-CQSZACIVSA-N -1 0 339.288 3.926 20 0 EHADRM O=C(NCc1cc2cc(Cl)ccc2[nH]1)c1ccc(F)c([O-])c1F ZINC001193789448 1135180842 /nfs/dbraw/zinc/18/08/42/1135180842.db2.gz QEWHOCGOHSAODV-UHFFFAOYSA-N -1 0 336.725 3.735 20 0 EHADRM O=C(N[C@@H](c1ccccc1)c1ccncc1)c1ccc(F)c([O-])c1F ZINC001193792550 1135181469 /nfs/dbraw/zinc/18/14/69/1135181469.db2.gz BIMRHZPEQLSAGU-KRWDZBQOSA-N -1 0 340.329 3.585 20 0 EHADRM O=C(COC(c1ccccc1)c1ccccc1)[N-]OC1CCCC1 ZINC000775600816 1135193796 /nfs/dbraw/zinc/19/37/96/1135193796.db2.gz MGYUQWUBVFNQQT-UHFFFAOYSA-N -1 0 325.408 3.783 20 0 EHADRM Nc1ccccc1S(=O)(=O)[N-]c1cc(C2CCCCC2)ccc1O ZINC001193934799 1135201304 /nfs/dbraw/zinc/20/13/04/1135201304.db2.gz NPPJPUZNFVZFNV-UHFFFAOYSA-N -1 0 346.452 3.823 20 0 EHADRM C[C@]1(C2CCCCC2)CCN1S(=O)(=O)c1cccc(Cl)c1[O-] ZINC001194036086 1135218757 /nfs/dbraw/zinc/21/87/57/1135218757.db2.gz MXAMUKYTIMLTIW-MRXNPFEDSA-N -1 0 343.876 3.779 20 0 EHADRM CCCCCCOC(=O)Nc1cc(S(=O)(=O)[O-])ccc1Cl ZINC001194187819 1135240571 /nfs/dbraw/zinc/24/05/71/1135240571.db2.gz KALWTIJZLPNRPT-UHFFFAOYSA-N -1 0 335.809 3.716 20 0 EHADRM CCn1c2ccccc2c2cc(NC(=O)c3cc(=O)n(C)[n-]3)ccc21 ZINC001194200616 1135242755 /nfs/dbraw/zinc/24/27/55/1135242755.db2.gz BSXOAVCUZLQKNS-UHFFFAOYSA-N -1 0 334.379 3.506 20 0 EHADRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)N[C@@H]1C[C@H](C)c2ccccc21 ZINC001194277914 1135247630 /nfs/dbraw/zinc/24/76/30/1135247630.db2.gz UOUBQYWOXXJDQC-SCLBCKFNSA-N -1 0 347.418 3.865 20 0 EHADRM O=C(Nc1cccc2cc(S(=O)(=O)[O-])ccc21)Oc1ccccc1 ZINC001194253544 1135250970 /nfs/dbraw/zinc/25/09/70/1135250970.db2.gz JQZRICARGYRXLN-UHFFFAOYSA-N -1 0 343.360 3.697 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)cc(C)c1C ZINC001194301317 1135254431 /nfs/dbraw/zinc/25/44/31/1135254431.db2.gz BNVCYGWUZRCXRT-UHFFFAOYSA-N -1 0 344.358 3.826 20 0 EHADRM O=S(=O)([N-]c1cccc2occc21)c1ncccc1C(F)(F)F ZINC001194569494 1135287161 /nfs/dbraw/zinc/28/71/61/1135287161.db2.gz NNUJCIKVYAJHMI-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM O=S(=O)([N-]c1cccc(C2CC2)c1)c1ncccc1C(F)(F)F ZINC001194569574 1135287240 /nfs/dbraw/zinc/28/72/40/1135287240.db2.gz PPBXGSOIMQMHSQ-UHFFFAOYSA-N -1 0 342.342 3.779 20 0 EHADRM CCOC(=O)CC(C)(C)CCOC(=O)c1cc([S-])ccc1F ZINC000805554428 1135288584 /nfs/dbraw/zinc/28/85/84/1135288584.db2.gz DQCMUPGQIUARTA-UHFFFAOYSA-N -1 0 328.405 3.641 20 0 EHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1cccc2cncc(F)c21 ZINC001194642465 1135295057 /nfs/dbraw/zinc/29/50/57/1135295057.db2.gz FRNYQBHHHKJHBW-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM COc1ncccc1S(=O)(=O)[N-]c1cc(Cl)c(C)c(Cl)c1 ZINC001194705099 1135301532 /nfs/dbraw/zinc/30/15/32/1135301532.db2.gz AEFAWIQYZNYMIC-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM C[C@H](OCc1ccc(C(=O)[O-])cc1)c1cccc(Br)n1 ZINC001205672158 1135306379 /nfs/dbraw/zinc/30/63/79/1135306379.db2.gz IOAGZXVGBWRMBO-JTQLQIEISA-N -1 0 336.185 3.820 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]C(=O)CCCCC(C)(C)C)cc1 ZINC000805916996 1135349970 /nfs/dbraw/zinc/34/99/70/1135349970.db2.gz VRUNYBFXURLDHK-UHFFFAOYSA-N -1 0 325.474 3.660 20 0 EHADRM Cc1ccc(C(C)C)cc1[N-]S(=O)(=O)c1cccc2nccnc21 ZINC001194981659 1135350712 /nfs/dbraw/zinc/35/07/12/1135350712.db2.gz YUXHATZAGAJEDK-UHFFFAOYSA-N -1 0 341.436 3.862 20 0 EHADRM COc1cc(Cl)nc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1 ZINC001195120424 1135372441 /nfs/dbraw/zinc/37/24/41/1135372441.db2.gz HSCPPHYXRHFSPW-UHFFFAOYSA-N -1 0 340.832 3.668 20 0 EHADRM COc1cc(NS(=O)(=O)c2cccc(C(C)C)c2)ccc1[S-] ZINC001195159798 1135384379 /nfs/dbraw/zinc/38/43/79/1135384379.db2.gz WPJRUPHXPYMDEV-UHFFFAOYSA-N -1 0 337.466 3.908 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCc2[nH]c3ccccc3c2C1 ZINC000775645028 1135393342 /nfs/dbraw/zinc/39/33/42/1135393342.db2.gz BEXOVDSBTYMJQG-UHFFFAOYSA-N -1 0 326.783 3.725 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cnc2c(c1)CCCC2 ZINC001195277454 1135404252 /nfs/dbraw/zinc/40/42/52/1135404252.db2.gz HYOZEFDTFIRKJT-UHFFFAOYSA-N -1 0 336.844 3.723 20 0 EHADRM O=C(Nc1nc2ccccc2s1)c1c([O-])c(F)c(F)c(F)c1F ZINC001195277772 1135404415 /nfs/dbraw/zinc/40/44/15/1135404415.db2.gz IAKXJVZAPGYOFN-UHFFFAOYSA-N -1 0 342.273 3.811 20 0 EHADRM Cc1nc2ccc([N-]S(=O)(=O)c3c(C)cccc3Cl)cc2o1 ZINC001195308804 1135411037 /nfs/dbraw/zinc/41/10/37/1135411037.db2.gz VBUDSOVODYFSJU-UHFFFAOYSA-N -1 0 336.800 3.899 20 0 EHADRM Cc1nc2cc([N-]S(=O)(=O)c3c(C)cccc3Cl)ccc2o1 ZINC001195308460 1135411145 /nfs/dbraw/zinc/41/11/45/1135411145.db2.gz OEYVAMVEAUTZFF-UHFFFAOYSA-N -1 0 336.800 3.899 20 0 EHADRM O=C(Nc1c(Cl)ccc([O-])c1Cl)c1cc(O)cnc1Cl ZINC001195309177 1135411162 /nfs/dbraw/zinc/41/11/62/1135411162.db2.gz NWBSSVCILDQERB-UHFFFAOYSA-N -1 0 333.558 3.705 20 0 EHADRM O=C(NC[C@@H]1CCCC(F)(F)C1)c1c([O-])c(F)c(F)c(F)c1F ZINC001195313155 1135412053 /nfs/dbraw/zinc/41/20/53/1135412053.db2.gz ZWQUMPGBZZNKKE-ZCFIWIBFSA-N -1 0 341.251 3.504 20 0 EHADRM COc1cccc([N-]S(=O)(=O)c2c(C)cccc2Cl)c1C ZINC001195309355 1135412092 /nfs/dbraw/zinc/41/20/92/1135412092.db2.gz LBZWSXMBCUZLKJ-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cccc2ccc(=O)[nH]c21 ZINC001195316634 1135413004 /nfs/dbraw/zinc/41/30/04/1135413004.db2.gz QZOCZZYDCLWGNL-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM O=C(Cc1nc(C(F)(F)F)cs1)Nc1cccc(Cl)c1[O-] ZINC001137932589 1135415117 /nfs/dbraw/zinc/41/51/17/1135415117.db2.gz CKMKUCCCFMCLMR-UHFFFAOYSA-N -1 0 336.722 3.702 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1c[nH]nc1[C@H]1CCCO1 ZINC000867137844 1135481833 /nfs/dbraw/zinc/48/18/33/1135481833.db2.gz KSEAPIOISCMNKV-LLVKDONJSA-N -1 0 342.182 3.526 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)nc2)c(F)c1 ZINC001196347369 1135549273 /nfs/dbraw/zinc/54/92/73/1135549273.db2.gz VXMSJIPCJVMFDF-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnc3c(F)cccc3c2)c(F)c1 ZINC001196353873 1135550031 /nfs/dbraw/zinc/55/00/31/1135550031.db2.gz HYVHHWILFAWSED-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc3cc(F)cnc32)c(F)c1 ZINC001196387685 1135553734 /nfs/dbraw/zinc/55/37/34/1135553734.db2.gz SZZHVDJUODXYFX-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM O=C(Nc1cc(-c2cccc(F)c2)ccn1)c1cc(Cl)ncc1[O-] ZINC001196387138 1135554020 /nfs/dbraw/zinc/55/40/20/1135554020.db2.gz JUODURCFRXBZNJ-UHFFFAOYSA-N -1 0 343.745 3.894 20 0 EHADRM O=C(c1cc(Cl)ncc1[O-])N(Cc1ccccn1)C1CCCCC1 ZINC001196396297 1135555082 /nfs/dbraw/zinc/55/50/82/1135555082.db2.gz RSONDCBZMQZGSU-UHFFFAOYSA-N -1 0 345.830 3.811 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2ccc3cc(Cl)ccc3c2)n1 ZINC001196413087 1135560148 /nfs/dbraw/zinc/56/01/48/1135560148.db2.gz UPTWFOYYPWYIFM-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM O=C(Nc1cccc(C(F)(F)F)n1)c1cc(Cl)c(F)cc1[O-] ZINC001196453256 1135568893 /nfs/dbraw/zinc/56/88/93/1135568893.db2.gz LURNYISSXKARFW-UHFFFAOYSA-N -1 0 334.656 3.851 20 0 EHADRM O=C(Nc1nc(C(F)(F)F)cs1)c1cc(Cl)c(F)cc1[O-] ZINC001196454688 1135569002 /nfs/dbraw/zinc/56/90/02/1135569002.db2.gz VVLRGTHCIZAQIN-UHFFFAOYSA-N -1 0 340.685 3.912 20 0 EHADRM Cc1nc2sccc2c(NC(=O)c2cc(Cl)c(F)cc2[O-])n1 ZINC001196454598 1135569186 /nfs/dbraw/zinc/56/91/86/1135569186.db2.gz UFILXLZBVSXNPT-UHFFFAOYSA-N -1 0 337.763 3.750 20 0 EHADRM O=C(NC1(c2ccc(F)cc2)CCOCC1)c1cccc(Cl)c1[O-] ZINC000775724758 1135580642 /nfs/dbraw/zinc/58/06/42/1135580642.db2.gz KHXKQXSFMPJERA-UHFFFAOYSA-N -1 0 349.789 3.620 20 0 EHADRM COC(=O)c1ccc(NC(=S)Nc2cccc(Cl)c2[O-])cc1 ZINC001196759512 1135603047 /nfs/dbraw/zinc/60/30/47/1135603047.db2.gz BMLUCMSQNDLOTL-UHFFFAOYSA-N -1 0 336.800 3.641 20 0 EHADRM CCc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(OC)ccc1F ZINC001196763505 1135603579 /nfs/dbraw/zinc/60/35/79/1135603579.db2.gz XYZOINHJGCKQPG-UHFFFAOYSA-N -1 0 343.807 3.851 20 0 EHADRM COc1ccc(F)c(S(=O)(=O)[N-]c2cccc3ccccc32)c1 ZINC001196763449 1135603592 /nfs/dbraw/zinc/60/35/92/1135603592.db2.gz VFPWFLNMXVSSEQ-UHFFFAOYSA-N -1 0 331.368 3.788 20 0 EHADRM CCCc1ccc([N-]S(=O)(=O)c2cccnc2C(F)(F)F)cc1 ZINC000808070074 1135611483 /nfs/dbraw/zinc/61/14/83/1135611483.db2.gz IVPHEAQHOKLUOB-UHFFFAOYSA-N -1 0 344.358 3.854 20 0 EHADRM CC(C)c1scnc1[N-]S(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000808129266 1135616092 /nfs/dbraw/zinc/61/60/92/1135616092.db2.gz CMECLFPOUMCDIY-FPLPWBNLSA-N -1 0 326.418 3.818 20 0 EHADRM O=c1[n-]cnc(N=C2CCC(C(F)(F)F)CC2)c1Br ZINC001196889247 1135622155 /nfs/dbraw/zinc/62/21/55/1135622155.db2.gz LFGJCBHAIHXTFD-ZCFIWIBFSA-N -1 0 338.127 3.603 20 0 EHADRM COc1c(Cl)cccc1NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197069266 1135646729 /nfs/dbraw/zinc/64/67/29/1135646729.db2.gz FAXMWYJOSSPRNL-UHFFFAOYSA-N -1 0 336.800 3.856 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2ccc(C(F)(F)F)nc2)cc1 ZINC001197075456 1135647577 /nfs/dbraw/zinc/64/75/77/1135647577.db2.gz NTGNFPRSVJHMHH-UHFFFAOYSA-N -1 0 341.314 3.608 20 0 EHADRM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CC12CCCC2 ZINC000747478282 1135648031 /nfs/dbraw/zinc/64/80/31/1135648031.db2.gz FPLVCROEOSSKJO-HNNXBMFYSA-N -1 0 349.496 3.678 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N[C@H]2C[C@@H]2c2cccc(Cl)c2)cc1 ZINC001197132631 1135648127 /nfs/dbraw/zinc/64/81/27/1135648127.db2.gz YXFFGZPIQMOQQO-CABCVRRESA-N -1 0 346.839 3.881 20 0 EHADRM CC1(C)CCC2(CCN(C(=S)Nc3ccc(C(=O)[O-])cc3)CC2)O1 ZINC001197106131 1135650082 /nfs/dbraw/zinc/65/00/82/1135650082.db2.gz ZVDNHTMXTOCRJV-UHFFFAOYSA-N -1 0 348.468 3.505 20 0 EHADRM Cc1cc(NC(=S)Nc2ccc(C(=O)[O-])cc2)cc2snnc21 ZINC001197116282 1135651512 /nfs/dbraw/zinc/65/15/12/1135651512.db2.gz TUIXNAKHSGTLMC-UHFFFAOYSA-N -1 0 344.421 3.507 20 0 EHADRM CSc1ccc(CNC(=S)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001197128438 1135653484 /nfs/dbraw/zinc/65/34/84/1135653484.db2.gz LDGUODMABNQSAX-UHFFFAOYSA-N -1 0 332.450 3.593 20 0 EHADRM C[C@@H](NC(=O)c1cccc(Cl)c1[O-])c1noc(-c2ccccc2)n1 ZINC000775772316 1135686584 /nfs/dbraw/zinc/68/65/84/1135686584.db2.gz BFLBYJSIPREKPU-SNVBAGLBSA-N -1 0 343.770 3.587 20 0 EHADRM Cc1ccc2cccc([N-]S(=O)(=O)Cc3c(F)cccc3F)c2n1 ZINC001197601060 1135713300 /nfs/dbraw/zinc/71/33/00/1135713300.db2.gz TXAHQSQLIRBIJA-UHFFFAOYSA-N -1 0 348.374 3.763 20 0 EHADRM O=C(Nc1ccc(Oc2cccnc2)nc1)c1cccc(Cl)c1[O-] ZINC000775804333 1135754932 /nfs/dbraw/zinc/75/49/32/1135754932.db2.gz MWMPGNBEETYYFY-UHFFFAOYSA-N -1 0 341.754 3.880 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2cccc(Oc3ccccc3)c2)c1 ZINC001198004440 1135760799 /nfs/dbraw/zinc/76/07/99/1135760799.db2.gz HGEYFUWUDAXGAU-UHFFFAOYSA-N -1 0 340.404 3.983 20 0 EHADRM O=S(=O)([N-]c1cccc(Cl)c1Cl)c1cccc(Cl)n1 ZINC001198235288 1135789873 /nfs/dbraw/zinc/78/98/73/1135789873.db2.gz XVRVRYZIJBLCCI-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM Cc1coc([N-]S(=O)(=O)c2ccccc2Oc2ccccc2)n1 ZINC001198442576 1135820342 /nfs/dbraw/zinc/82/03/42/1135820342.db2.gz BOLPCWFUGZUZPS-UHFFFAOYSA-N -1 0 330.365 3.576 20 0 EHADRM CCc1cc([N-]S(=O)(=O)c2ccccc2Oc2ccccc2)on1 ZINC001198447429 1135821521 /nfs/dbraw/zinc/82/15/21/1135821521.db2.gz MTXMZYUDMNMJEZ-UHFFFAOYSA-N -1 0 344.392 3.830 20 0 EHADRM CC(C)Cn1cnc(C(=O)Nc2c(Cl)ccc([O-])c2Cl)c1 ZINC001198574526 1135832559 /nfs/dbraw/zinc/83/25/59/1135832559.db2.gz CCYLJODHBSRIIS-UHFFFAOYSA-N -1 0 328.199 3.804 20 0 EHADRM Cc1ccc2cccc(NS(=O)(=O)c3ccccc3C(=O)[O-])c2c1 ZINC001198782747 1135852859 /nfs/dbraw/zinc/85/28/59/1135852859.db2.gz OEZKDIPSVYTWGK-UHFFFAOYSA-N -1 0 341.388 3.647 20 0 EHADRM O=S(=O)([N-]c1cccc2cc(F)cnc21)c1ccc2occc2c1 ZINC001198868709 1135864419 /nfs/dbraw/zinc/86/44/19/1135864419.db2.gz LYMPZKHLUKGQND-UHFFFAOYSA-N -1 0 342.351 3.921 20 0 EHADRM O=C([O-])c1c(F)cc(Nc2c[nH]c(C(F)(F)F)cc2=O)cc1F ZINC001203318106 1135869914 /nfs/dbraw/zinc/86/99/14/1135869914.db2.gz BDOASPXOAVBNCD-UHFFFAOYSA-N -1 0 334.200 3.526 20 0 EHADRM O=C(Nc1c(Cl)ccc([O-])c1Cl)c1cnoc1C(F)(F)F ZINC001199055331 1135876416 /nfs/dbraw/zinc/87/64/16/1135876416.db2.gz NNFRDXMXFQBFIV-UHFFFAOYSA-N -1 0 341.072 3.958 20 0 EHADRM O=C([O-])c1c(F)cc(Nc2ncc(Br)cc2F)cc1F ZINC001203319700 1135892788 /nfs/dbraw/zinc/89/27/88/1135892788.db2.gz WJDQWFGEYJFZRU-UHFFFAOYSA-N -1 0 347.090 3.703 20 0 EHADRM CCOC(=O)c1c(NC(=S)N[C@@H]2[CH]CC=C2)sc2c1CCCC2 ZINC001199408671 1135904336 /nfs/dbraw/zinc/90/43/36/1135904336.db2.gz LFKSRVKZJQZORX-NSHDSACASA-N -1 0 349.501 3.623 20 0 EHADRM CCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000776068352 1135947043 /nfs/dbraw/zinc/94/70/43/1135947043.db2.gz DNHLYLLETTYYJP-JTQLQIEISA-N -1 0 337.894 3.813 20 0 EHADRM CCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000776074190 1135947507 /nfs/dbraw/zinc/94/75/07/1135947507.db2.gz GCHGQDZBJRRLEM-LBPRGKRZSA-N -1 0 331.865 3.751 20 0 EHADRM CCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000776089606 1135952949 /nfs/dbraw/zinc/95/29/49/1135952949.db2.gz WHQODLQGVMWQFI-AWEZNQCLSA-N -1 0 348.468 3.646 20 0 EHADRM O=C([O-])c1c(F)cc(Nc2cncc(N3CCCCC3)c2)cc1F ZINC001203324022 1135955882 /nfs/dbraw/zinc/95/58/82/1135955882.db2.gz YGUQRIKXILWLNJ-UHFFFAOYSA-N -1 0 333.338 3.792 20 0 EHADRM O=C([O-])c1c(F)cc(Nc2ccc(Br)cc2O)cc1F ZINC001203324145 1135957861 /nfs/dbraw/zinc/95/78/61/1135957861.db2.gz FBILSYWGNACRBE-UHFFFAOYSA-N -1 0 344.111 3.875 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]C(=O)C2C[C@H](C)C[C@@H](C)C2)c1 ZINC000780456359 1135968446 /nfs/dbraw/zinc/96/84/46/1135968446.db2.gz BLJJJWJYJCMAIU-ZIAGYGMSSA-N -1 0 337.485 3.687 20 0 EHADRM CC(C)c1nc(S(=O)(=O)[N-]c2cccc(SC(F)F)c2)c[nH]1 ZINC000747611568 1135977093 /nfs/dbraw/zinc/97/70/93/1135977093.db2.gz KZZXEANHNWVOIA-UHFFFAOYSA-N -1 0 347.412 3.649 20 0 EHADRM O=S(=O)([N-]c1cccs1)c1cc(Cl)c(Cl)cc1F ZINC001201247106 1135998700 /nfs/dbraw/zinc/99/87/00/1135998700.db2.gz KVJUMEFKDMYNAA-UHFFFAOYSA-N -1 0 326.201 3.995 20 0 EHADRM O=S(=O)([N-]c1ccsc1)c1cc(Cl)c(Cl)cc1F ZINC001201247100 1135998840 /nfs/dbraw/zinc/99/88/40/1135998840.db2.gz KMFBWCRXRGSTGB-UHFFFAOYSA-N -1 0 326.201 3.995 20 0 EHADRM CCOc1ccc(C)cc1[N-]S(=O)(=O)c1sc(Cl)nc1C ZINC001201755788 1136060176 /nfs/dbraw/zinc/06/01/76/1136060176.db2.gz DLQFWWUNQIKBEB-UHFFFAOYSA-N -1 0 346.861 3.613 20 0 EHADRM O=C(N[C@@H](c1cccc(Cl)c1)C(F)F)c1cccc(F)c1[O-] ZINC001132791688 1136079511 /nfs/dbraw/zinc/07/95/11/1136079511.db2.gz GGGDOONCKPOVRW-LBPRGKRZSA-N -1 0 329.705 3.921 20 0 EHADRM Cc1c(S(=O)(=O)[N-]c2ccnc(Cl)c2C)c2ccccc2n1C ZINC000811836039 1136143081 /nfs/dbraw/zinc/14/30/81/1136143081.db2.gz AVTUAJYNQOIMDJ-UHFFFAOYSA-N -1 0 349.843 3.644 20 0 EHADRM Cc1ccc2c(c1C)OC[C@H]2NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811817247 1136145070 /nfs/dbraw/zinc/14/50/70/1136145070.db2.gz QSAALGRXZYKVRA-OAHLLOKOSA-N -1 0 345.782 3.519 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N(CC2CCC2)CC(F)(F)F)c1 ZINC000811821885 1136145786 /nfs/dbraw/zinc/14/57/86/1136145786.db2.gz UHAJVDWKGBBQOC-UHFFFAOYSA-N -1 0 349.736 3.843 20 0 EHADRM CCCCOc1ccc(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)c(C)c1 ZINC000780458773 1136174817 /nfs/dbraw/zinc/17/48/17/1136174817.db2.gz LZLYNKBMHIKBPK-LRDDRELGSA-N -1 0 336.432 3.795 20 0 EHADRM O=C([N-]OC/C=C\Cl)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000812401112 1136201611 /nfs/dbraw/zinc/20/16/11/1136201611.db2.gz VFLDHACJEPDDNC-RJRFIUFISA-N -1 0 337.700 3.676 20 0 EHADRM O=C([N-]OC/C=C\Cl)C1(c2ccc(Br)cc2)CCC1 ZINC000812401735 1136201819 /nfs/dbraw/zinc/20/18/19/1136201819.db2.gz CKPSFGJWPKWVEY-MBXJOHMKSA-N -1 0 344.636 3.671 20 0 EHADRM O=C(COc1ccc(Oc2ccccc2)cc1)[N-]OC/C=C\Cl ZINC000812398193 1136204241 /nfs/dbraw/zinc/20/42/41/1136204241.db2.gz NKWNLDRADPWBAG-WCIBSUBMSA-N -1 0 333.771 3.658 20 0 EHADRM CC(C)OCCON=c1[n-]c(-c2cc(Cl)cc(Cl)c2)no1 ZINC000812489366 1136216616 /nfs/dbraw/zinc/21/66/16/1136216616.db2.gz YKLZYLLCDOXUQT-UHFFFAOYSA-N -1 0 332.187 3.812 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2c[nH]c3cccc(F)c32)c1 ZINC000812709614 1136238825 /nfs/dbraw/zinc/23/88/25/1136238825.db2.gz ZMDPDGKUKFUEPY-UHFFFAOYSA-N -1 0 326.327 3.858 20 0 EHADRM CCC(=O)Nc1ccccc1C(=O)Nc1cc(C(=O)CC)ccc1[O-] ZINC000812707812 1136238977 /nfs/dbraw/zinc/23/89/77/1136238977.db2.gz NPINHWCCDCCFBL-UHFFFAOYSA-N -1 0 340.379 3.586 20 0 EHADRM Cc1cccnc1[N-]S(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC000109420604 1136295090 /nfs/dbraw/zinc/29/50/90/1136295090.db2.gz QOUNIQCCBWIFFS-UHFFFAOYSA-N -1 0 332.425 3.512 20 0 EHADRM O=S(=O)([N-]c1c(Cl)ccc2nc(Cl)ccc21)C(F)(F)F ZINC001252353176 1136299506 /nfs/dbraw/zinc/29/95/06/1136299506.db2.gz QRSTZVYIAVWGPI-UHFFFAOYSA-N -1 0 345.129 3.803 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@]1(C)CC=C(C)CC1 ZINC000851043447 1136331781 /nfs/dbraw/zinc/33/17/81/1136331781.db2.gz NVXRWCVMNPNTQB-WMZOPIPTSA-N -1 0 335.469 3.720 20 0 EHADRM CC(C)c1cc([N-]S(=O)(=O)/C=C\c2ccccc2Cl)no1 ZINC000747858876 1136349217 /nfs/dbraw/zinc/34/92/17/1136349217.db2.gz WQDZVWONKNMGSB-FPLPWBNLSA-N -1 0 326.805 3.864 20 0 EHADRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1cc2ccccc2o1)CC(C)(C)C ZINC000851246474 1136357216 /nfs/dbraw/zinc/35/72/16/1136357216.db2.gz DIPXDLXISGRQTF-LBPRGKRZSA-N -1 0 337.441 3.700 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cc(C)sc1C ZINC000814019423 1136387194 /nfs/dbraw/zinc/38/71/94/1136387194.db2.gz YQYGWHICXYKIQN-OAHLLOKOSA-N -1 0 337.466 3.576 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000814019635 1136387241 /nfs/dbraw/zinc/38/72/41/1136387241.db2.gz FWDXWRUVNRYYPB-YQFWSFKMSA-N -1 0 337.485 3.656 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC000851593911 1136394937 /nfs/dbraw/zinc/39/49/37/1136394937.db2.gz DOBMFSKDYIHDJE-SOGBHIHOSA-N -1 0 325.364 3.663 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N2CCCCC[C@@H]2c2ccco2)o1 ZINC000851594158 1136394948 /nfs/dbraw/zinc/39/49/48/1136394948.db2.gz GPKCDNLOEBVHPS-QSYFUGGGSA-N -1 0 329.352 3.728 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N2CCCCC[C@H]2c2ccco2)o1 ZINC000851594156 1136395101 /nfs/dbraw/zinc/39/51/01/1136395101.db2.gz GPKCDNLOEBVHPS-PLWJUESGSA-N -1 0 329.352 3.728 20 0 EHADRM CC(C)Oc1ccc([C@@H](C)NC(=O)c2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC000851594332 1136395128 /nfs/dbraw/zinc/39/51/28/1136395128.db2.gz IINNKUNUWYLFEQ-YGNAEDSMSA-N -1 0 343.379 3.656 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N2CCC[C@H](c3ccccc3)CC2)o1 ZINC000851597357 1136395277 /nfs/dbraw/zinc/39/52/77/1136395277.db2.gz XFIGTEZBHDQXNR-SLWQEBJJSA-N -1 0 339.391 3.787 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N(CC2CCC2)c2ccccc2)o1 ZINC000851597428 1136395372 /nfs/dbraw/zinc/39/53/72/1136395372.db2.gz XVKJAUMRNWFWQA-BENRWUELSA-N -1 0 325.364 3.824 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(/C=C\C(=O)[O-])o2)CC[C@@H]1c1ccccc1 ZINC000851595110 1136395377 /nfs/dbraw/zinc/39/53/77/1136395377.db2.gz MTRUBFQDHPXMFW-CEXVDSSSSA-N -1 0 339.391 3.643 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)c1cccc(SC(F)(F)F)c1 ZINC000851601704 1136395660 /nfs/dbraw/zinc/39/56/60/1136395660.db2.gz WHIPPAVSENLQBI-NSHDSACASA-N -1 0 347.358 3.768 20 0 EHADRM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccc(/C=C/C(=O)[O-])o2)C1 ZINC000851604072 1136395910 /nfs/dbraw/zinc/39/59/10/1136395910.db2.gz LGOACKPLXBSIBR-CYSDVBINSA-N -1 0 343.354 3.740 20 0 EHADRM CC(C)c1ccc2c(c1)CN(C(=O)c1ccc(/C=C\C(=O)[O-])o1)CC2 ZINC000851616975 1136396141 /nfs/dbraw/zinc/39/61/41/1136396141.db2.gz ZEZFHFCNIJWBCO-VURMDHGXSA-N -1 0 339.391 3.699 20 0 EHADRM Cc1cccc(C)c1[C@H]1CCCN1C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851608815 1136396405 /nfs/dbraw/zinc/39/64/05/1136396405.db2.gz FDMOFKQWEPARJR-PXUDHTSWSA-N -1 0 339.391 3.972 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2nc3c(s2)CCCCCC3)CC1 ZINC000851692611 1136399753 /nfs/dbraw/zinc/39/97/53/1136399753.db2.gz GJKPBDCEHMJHFN-UHFFFAOYSA-N -1 0 336.457 3.632 20 0 EHADRM Cc1coc(-c2cc(NC(=O)C3CCC(C(=O)[O-])CC3)ccc2C)n1 ZINC000851694035 1136399765 /nfs/dbraw/zinc/39/97/65/1136399765.db2.gz UPCHJUWIXYMPTH-UHFFFAOYSA-N -1 0 342.395 3.788 20 0 EHADRM Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(SC(C)(C)C)cc1C ZINC000110589853 1136452999 /nfs/dbraw/zinc/45/29/99/1136452999.db2.gz UJDXTUXDALEYFD-UHFFFAOYSA-N -1 0 339.486 3.718 20 0 EHADRM O=C([O-])C1(CNc2nccc3ccc(Br)cc32)CCC1 ZINC000852913551 1136492759 /nfs/dbraw/zinc/49/27/59/1136492759.db2.gz ZYMBNHVQHORLLH-UHFFFAOYSA-N -1 0 335.201 3.664 20 0 EHADRM C[C@H](NC(=O)C1(C(=O)[O-])CCCCCC1)c1nc2ccccc2s1 ZINC000852947355 1136493774 /nfs/dbraw/zinc/49/37/74/1136493774.db2.gz MOHQPYJYVHMQJP-LBPRGKRZSA-N -1 0 346.452 3.899 20 0 EHADRM O=C([N-]C1(c2csc(NC3CCC3)n2)CCCCC1)C(F)(F)F ZINC000853005242 1136497193 /nfs/dbraw/zinc/49/71/93/1136497193.db2.gz ZJZAGZHMTKICIG-UHFFFAOYSA-N -1 0 347.406 3.945 20 0 EHADRM CC1CCC(=CC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2F)CC1 ZINC000776657781 1136527176 /nfs/dbraw/zinc/52/71/76/1136527176.db2.gz DTMRRFXFKDEFRH-NBFOKTCDSA-N -1 0 337.366 3.733 20 0 EHADRM O=C(OCc1ccnc(Br)c1)c1ccc([O-])c(Cl)c1 ZINC000815171465 1136566404 /nfs/dbraw/zinc/56/64/04/1136566404.db2.gz ZIIKCFOKRGNPBL-UHFFFAOYSA-N -1 0 342.576 3.560 20 0 EHADRM COCCCO[N-]C(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000854449349 1136617760 /nfs/dbraw/zinc/61/77/60/1136617760.db2.gz DPAYIXCMVUESRN-KRWDZBQOSA-N -1 0 333.815 3.556 20 0 EHADRM C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000854780449 1136643163 /nfs/dbraw/zinc/64/31/63/1136643163.db2.gz QQBZVMMOIHDIPV-WCBMZHEXSA-N -1 0 344.358 3.920 20 0 EHADRM CC(C)CO[N-]C(=O)C(C)(C)c1csc(-c2ccccc2F)n1 ZINC000815859912 1136645459 /nfs/dbraw/zinc/64/54/59/1136645459.db2.gz RELPBKTWZUFLHB-UHFFFAOYSA-N -1 0 336.432 3.931 20 0 EHADRM Cc1ccc(C)c(C(=O)[N-]S(=O)(=O)[C@H](c2ccccc2)C(C)C)c1 ZINC000816109102 1136677153 /nfs/dbraw/zinc/67/71/53/1136677153.db2.gz VSTAXAHHHPRPOR-SFHVURJKSA-N -1 0 345.464 3.760 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@]1(C)C(C)C ZINC000816108859 1136677193 /nfs/dbraw/zinc/67/71/93/1136677193.db2.gz PVEMANUQVYMFSK-LZLYRXPVSA-N -1 0 337.485 3.512 20 0 EHADRM CCC[C@H](C)CC(=O)[N-]S(=O)(=O)[C@H](c1ccccc1)C(C)C ZINC000816110765 1136677602 /nfs/dbraw/zinc/67/76/02/1136677602.db2.gz ICYWBXKPXNNFFV-YOEHRIQHSA-N -1 0 325.474 3.656 20 0 EHADRM O=C(NCC1(c2ccc(F)cc2)CC1)c1ccc2oc(=S)[n-]c2c1 ZINC000816888785 1136760861 /nfs/dbraw/zinc/76/08/61/1136760861.db2.gz XTUKNFYHJUFXNU-UHFFFAOYSA-N -1 0 342.395 3.717 20 0 EHADRM Cc1ccc(NC(=O)c2cc(Br)cc(F)c2[O-])c(O)c1 ZINC001135745547 1136765246 /nfs/dbraw/zinc/76/52/46/1136765246.db2.gz ZETIZFHHBYRBNP-UHFFFAOYSA-N -1 0 340.148 3.560 20 0 EHADRM CC(C)[C@H](CNC(=O)c1ccc2oc(=S)[n-]c2c1)c1cccnc1 ZINC000816945129 1136766229 /nfs/dbraw/zinc/76/62/29/1136766229.db2.gz WSCGZZLHUSKLMV-AWEZNQCLSA-N -1 0 341.436 3.681 20 0 EHADRM CCO[C@H]1C[C@@H](NC(=O)c2ccc3oc(=S)[n-]c3c2)C12CCCC2 ZINC000816941215 1136768090 /nfs/dbraw/zinc/76/80/90/1136768090.db2.gz ZNWCFEGFQFDJKP-CABCVRRESA-N -1 0 346.452 3.584 20 0 EHADRM O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ncc2ccccc2c1[O-] ZINC001135808090 1136775360 /nfs/dbraw/zinc/77/53/60/1136775360.db2.gz MNHFSALTFBQDIF-UHFFFAOYSA-N -1 0 344.273 3.514 20 0 EHADRM CCC(CC)(C(=O)[N-]OCC1CCC1)c1ccc(OC)c(OC)c1 ZINC000856350282 1136779233 /nfs/dbraw/zinc/77/92/33/1136779233.db2.gz RVOZESAKIWHKGG-UHFFFAOYSA-N -1 0 335.444 3.610 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cccc(C(F)F)c2)nn1C(C)C ZINC000817357574 1136798187 /nfs/dbraw/zinc/79/81/87/1136798187.db2.gz JKXSDVBTVXSUHB-UHFFFAOYSA-N -1 0 329.372 3.511 20 0 EHADRM C/C(=C\C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1)c1cccs1 ZINC000856925305 1136824270 /nfs/dbraw/zinc/82/42/70/1136824270.db2.gz QKPQAGCZOJSTSK-GRNBYLDVSA-N -1 0 343.448 3.744 20 0 EHADRM Cc1ccc(C(C)C)c(OCC(=O)[N-]OCc2ccc(F)cc2)c1 ZINC000857485061 1136876274 /nfs/dbraw/zinc/87/62/74/1136876274.db2.gz PYLBCGWVBXSMLW-UHFFFAOYSA-N -1 0 331.387 3.884 20 0 EHADRM CC(C)c1ccc(N2CC[C@@H](C(=O)[N-]OC3CCCCC3)C2=O)cc1 ZINC000857493394 1136877036 /nfs/dbraw/zinc/87/70/36/1136877036.db2.gz YEKKSBDUYZTKMY-SFHVURJKSA-N -1 0 344.455 3.543 20 0 EHADRM CC(=O)Nc1cc(NC(=O)c2ccc3oc(=S)[n-]c3c2)ccc1C ZINC001136249862 1136955569 /nfs/dbraw/zinc/95/55/69/1136955569.db2.gz GUQXZGFFWXDPPJ-UHFFFAOYSA-N -1 0 341.392 3.636 20 0 EHADRM C[C@H]1CCCCCN1C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000820008520 1136969816 /nfs/dbraw/zinc/96/98/16/1136969816.db2.gz SXNDXMBGDBFEFU-ZDUSSCGKSA-N -1 0 327.380 3.869 20 0 EHADRM CCN(C)c1ccc(CNc2ccc(C(C)(C)C(=O)[O-])cc2)cn1 ZINC000859809968 1137031641 /nfs/dbraw/zinc/03/16/41/1137031641.db2.gz BGSLMKLEOWSRNE-UHFFFAOYSA-N -1 0 327.428 3.512 20 0 EHADRM O=C(Cc1csc(C2CC2)n1)Nc1cc(F)cc(Cl)c1[O-] ZINC000822017593 1137046001 /nfs/dbraw/zinc/04/60/01/1137046001.db2.gz PKKPWFLVAJMCNR-UHFFFAOYSA-N -1 0 326.780 3.700 20 0 EHADRM CCC[C@H]1CCCC[C@H]1NC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC001136622735 1137072143 /nfs/dbraw/zinc/07/21/43/1137072143.db2.gz RIXZOAQEXASOLT-GOEBONIOSA-N -1 0 327.428 3.667 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1cc(Cl)ccc1Cl ZINC000013448757 1137085863 /nfs/dbraw/zinc/08/58/63/1137085863.db2.gz VNYOMKKEPADWPD-UHFFFAOYSA-N -1 0 336.174 3.895 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N3C[C@@H]4CCC[C@@H]4[C@H]3C(=O)[O-])[nH]c2c1 ZINC000823340073 1137095659 /nfs/dbraw/zinc/09/56/59/1137095659.db2.gz YZRMAFQWUXIKDX-MPGHIAIKSA-N -1 0 340.423 3.617 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)c1c[n-]ncc1=O)[C@H]1CCC[C@H](C)C1 ZINC001136731809 1137104085 /nfs/dbraw/zinc/10/40/85/1137104085.db2.gz HRQIQPUBASKSBW-ZUEVXXBESA-N -1 0 339.439 3.788 20 0 EHADRM CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000823589884 1137105143 /nfs/dbraw/zinc/10/51/43/1137105143.db2.gz OPOPRRGFRNWXDS-NEPJUHHUSA-N -1 0 331.416 3.511 20 0 EHADRM CCc1ccc(CCNC(=O)c2cccc(C(F)(F)F)c2[O-])cc1 ZINC001136870711 1137138319 /nfs/dbraw/zinc/13/83/19/1137138319.db2.gz KRRDARUUGYSARS-UHFFFAOYSA-N -1 0 337.341 3.946 20 0 EHADRM CC(C)(C)CCCCC(=O)[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000805871906 1137147637 /nfs/dbraw/zinc/14/76/37/1137147637.db2.gz JOUUWVJXQDWUJG-UHFFFAOYSA-N -1 0 348.468 3.646 20 0 EHADRM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CCC2(CCCC2=O)CC1 ZINC000825507539 1137180430 /nfs/dbraw/zinc/18/04/30/1137180430.db2.gz NBJLZWQPUQKCHX-UHFFFAOYSA-N -1 0 342.222 3.674 20 0 EHADRM CC(C)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000863425079 1137185867 /nfs/dbraw/zinc/18/58/67/1137185867.db2.gz UOGSDLUVOXIWOU-UHFFFAOYSA-N -1 0 348.255 3.651 20 0 EHADRM C[C@H](CCc1ccc(F)cc1)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000864100691 1137214951 /nfs/dbraw/zinc/21/49/51/1137214951.db2.gz VNZBHKVRBMOQEK-DOMZBBRYSA-N -1 0 349.427 3.788 20 0 EHADRM O=C([O-])c1coc(/C=C/C(=O)N(Cc2ccc(F)cc2)CC2CC2)c1 ZINC000864111137 1137215453 /nfs/dbraw/zinc/21/54/53/1137215453.db2.gz SMTXOGJEHRJQEH-BQYQJAHWSA-N -1 0 343.354 3.569 20 0 EHADRM Cc1ccc(C[C@@H]2CCCN2C(=O)/C=C\c2cc(C(=O)[O-])co2)cc1 ZINC000864108454 1137215464 /nfs/dbraw/zinc/21/54/64/1137215464.db2.gz ZQABBVUDNFDKMJ-JJEJIETFSA-N -1 0 339.391 3.533 20 0 EHADRM Cc1ccc(C(=O)N(Cc2ccco2)C2CCCC2)cc1C(=O)[O-] ZINC000864124973 1137216298 /nfs/dbraw/zinc/21/62/98/1137216298.db2.gz NTQWZGXPYOZSDK-UHFFFAOYSA-N -1 0 327.380 3.871 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)c1ccsc1C(F)(F)F ZINC000864132275 1137216613 /nfs/dbraw/zinc/21/66/13/1137216613.db2.gz ONCFGKLVAQDJKE-UHFFFAOYSA-N -1 0 337.363 3.922 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)/C=C/c1ccsc1C(F)(F)F ZINC000864133544 1137216809 /nfs/dbraw/zinc/21/68/09/1137216809.db2.gz RXHOVGXFVZYVLI-SGUJLRQBSA-N -1 0 347.358 3.636 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2ccc3c(c2)OC(C)(C)C3)cc1 ZINC000864149059 1137217079 /nfs/dbraw/zinc/21/70/79/1137217079.db2.gz MYUJFBZJEHETGN-LBPRGKRZSA-N -1 0 339.391 3.841 20 0 EHADRM COc1cc(NC(=O)CCCCCCSC)ccc1C(=O)[O-] ZINC000864144033 1137217226 /nfs/dbraw/zinc/21/72/26/1137217226.db2.gz MUYLTWKSCRBJKH-UHFFFAOYSA-N -1 0 325.430 3.645 20 0 EHADRM CC1(C)C[C@H](NC(=O)/C=C/c2cc(C(=O)[O-])co2)c2ccccc21 ZINC000864143586 1137217236 /nfs/dbraw/zinc/21/72/36/1137217236.db2.gz NJDQXCSIHWULFU-WAVCKPEOSA-N -1 0 325.364 3.530 20 0 EHADRM CC(C)(C)[C@H]1Cc2ccccc2N(C(=O)c2cc(C(=O)[O-])ccn2)C1 ZINC000864173388 1137217849 /nfs/dbraw/zinc/21/78/49/1137217849.db2.gz ATKPYAFIJXGJEV-HNNXBMFYSA-N -1 0 338.407 3.645 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)Nc2cccc(C3CCOCC3)c2)o1 ZINC000864174638 1137217904 /nfs/dbraw/zinc/21/79/04/1137217904.db2.gz VCJDZTAOMHUCRS-ALCCZGGFSA-N -1 0 341.363 3.524 20 0 EHADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)c1ccc(C3CCCCC3)cc1)C2 ZINC000864208870 1137218883 /nfs/dbraw/zinc/21/88/83/1137218883.db2.gz OONZTEMKRKMNBA-UWVAXJGDSA-N -1 0 327.424 3.717 20 0 EHADRM CC(C)(C)c1ccc(CNC(=O)CCc2ccc(C(=O)[O-])cc2)o1 ZINC000864217944 1137219091 /nfs/dbraw/zinc/21/90/91/1137219091.db2.gz SEDOJFRPXXFBER-UHFFFAOYSA-N -1 0 329.396 3.524 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)[C@H]2CSc3ccccc32)c1 ZINC000864229930 1137219338 /nfs/dbraw/zinc/21/93/38/1137219338.db2.gz OUXVUUICIAJFJG-JKSUJKDBSA-N -1 0 341.432 3.517 20 0 EHADRM CCc1nc2ccccc2n1Cc1nc(=O)c2c(C)sc(C)c2[n-]1 ZINC000864354664 1137223196 /nfs/dbraw/zinc/22/31/96/1137223196.db2.gz IIPMBMMHQNXMRU-UHFFFAOYSA-N -1 0 338.436 3.974 20 0 EHADRM O=C([O-])CCCc1ccc(NCc2cccnc2Br)cc1 ZINC000864511644 1137230985 /nfs/dbraw/zinc/23/09/85/1137230985.db2.gz GBXDMXPXFONNAN-UHFFFAOYSA-N -1 0 349.228 3.864 20 0 EHADRM Cc1ncc(S(=O)(=O)[N-]c2cc(Cl)c(C)cc2Cl)s1 ZINC000339070022 1137234837 /nfs/dbraw/zinc/23/48/37/1137234837.db2.gz DCLFNQOHZPMUMQ-UHFFFAOYSA-N -1 0 337.253 3.868 20 0 EHADRM CC[C@H](C)Sc1ccc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c(C)c1 ZINC000864591722 1137235853 /nfs/dbraw/zinc/23/58/53/1137235853.db2.gz XQUQQHRTPIGZLH-RWMBFGLXSA-N -1 0 336.457 3.870 20 0 EHADRM C/C(=C/c1ccc(-c2cc(F)ccc2OC[C@@H]2CCOC2)o1)C(=O)[O-] ZINC000864608490 1137236383 /nfs/dbraw/zinc/23/63/83/1137236383.db2.gz JOVWHSLLDNZKLP-LLBKUYECSA-N -1 0 346.354 3.989 20 0 EHADRM C[C@H]1Cc2cc(-c3ccc([S@@](=O)CCCC(=O)[O-])cc3)ccc2O1 ZINC000864610558 1137236533 /nfs/dbraw/zinc/23/65/33/1137236533.db2.gz QGODNODDADJFBR-RZFZLAGVSA-N -1 0 344.432 3.649 20 0 EHADRM C[C@@]1(C(=O)Nc2ccc(F)c(Br)c2[O-])C[C@@H]2C=C[C@H]1C2 ZINC001144284662 1137266660 /nfs/dbraw/zinc/26/66/60/1137266660.db2.gz XXPPTJFQDVGOEK-CEFVDNRUSA-N -1 0 340.192 3.835 20 0 EHADRM CCCC(C)(C)C(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000845436162 1137291928 /nfs/dbraw/zinc/29/19/28/1137291928.db2.gz QFQIGMJGKDNFSX-UHFFFAOYSA-N -1 0 338.256 3.625 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccc2c(c1)oc1ccccc12)C1CCCC1 ZINC000845826766 1137313229 /nfs/dbraw/zinc/31/32/29/1137313229.db2.gz XNXYMWCHASKLMJ-UHFFFAOYSA-N -1 0 343.404 3.581 20 0 EHADRM O=C([O-])c1ccsc1CN1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC001144680984 1137328646 /nfs/dbraw/zinc/32/86/46/1137328646.db2.gz YQDSDXQTYCOADS-CQSZACIVSA-N -1 0 337.828 3.673 20 0 EHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)c2nn(-c3ccccc3F)cc2[O-])C1 ZINC001144745647 1137341926 /nfs/dbraw/zinc/34/19/26/1137341926.db2.gz IVEVBMWYLFYFML-KGLIPLIRSA-N -1 0 345.418 3.662 20 0 EHADRM O=C([O-])[C@@]12CCC[C@@H]1C[N@H+](Cc1cc(Cl)ccc1OC(F)F)C2 ZINC000846283878 1137345163 /nfs/dbraw/zinc/34/51/63/1137345163.db2.gz JZAKUVABIWBTPL-BDJLRTHQSA-N -1 0 345.773 3.628 20 0 EHADRM C[C@H](NCc1ccc(CSC(F)F)o1)c1nc(C(=O)[O-])cs1 ZINC000846779823 1137365272 /nfs/dbraw/zinc/36/52/72/1137365272.db2.gz OXZWBJNXHGAKNY-ZETCQYMHSA-N -1 0 348.396 3.741 20 0 EHADRM COC(=O)c1ccc(Cl)c(/C=C/c2ncc(/C=C/C(=O)[O-])s2)c1 ZINC000794940997 1137373660 /nfs/dbraw/zinc/37/36/60/1137373660.db2.gz HSRFSIJGCSCZFD-XOKGJFMYSA-N -1 0 349.795 3.851 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2conc2C2CCCC2)c1 ZINC000868485559 1137411270 /nfs/dbraw/zinc/41/12/70/1137411270.db2.gz BHUDQJPEIZRUJO-UHFFFAOYSA-N -1 0 328.368 3.883 20 0 EHADRM CC(C)C[C@H]1CCN(C(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])C1 ZINC001148547090 1137427579 /nfs/dbraw/zinc/42/75/79/1137427579.db2.gz GGHZJSGFILHNSL-CYBMUJFWSA-N -1 0 347.846 3.740 20 0 EHADRM Cc1cc(C=O)c([O-])c(C(=O)Nc2cc(C)c(C)c3ncccc23)c1 ZINC001148552890 1137427767 /nfs/dbraw/zinc/42/77/67/1137427767.db2.gz GNHVQMRIYXEKJO-UHFFFAOYSA-N -1 0 334.375 3.930 20 0 EHADRM O=S(=O)(Nc1cccc(C2SCCS2)c1)c1ccccc1 ZINC000017319993 1137433419 /nfs/dbraw/zinc/43/34/19/1137433419.db2.gz DQHIHCYWUKWHNF-UHFFFAOYSA-N -1 0 337.491 3.966 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCC[C@H](c2cccnc2)C1 ZINC000869051112 1137434612 /nfs/dbraw/zinc/43/46/12/1137434612.db2.gz RBPCOCMSBSOMDZ-LBPRGKRZSA-N -1 0 334.778 3.600 20 0 EHADRM O=C([O-])CCOc1cccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)c1 ZINC000208114523 1137484212 /nfs/dbraw/zinc/48/42/12/1137484212.db2.gz XBSQQFYKTFKKDF-OQLLNIDSSA-N -1 0 343.766 3.686 20 0 EHADRM CC(=CC(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)ccc1C)c1ccccc1 ZINC000773315456 1137489420 /nfs/dbraw/zinc/48/94/20/1137489420.db2.gz JVRGRVPHKXOISO-RAXLEYEMSA-N -1 0 334.379 3.528 20 0 EHADRM Cc1cc(C)cc(NC(=S)[N-]c2ccccc2SCC(N)=O)c1 ZINC000018164816 1137489785 /nfs/dbraw/zinc/48/97/85/1137489785.db2.gz HDMHBBNVLSMDTB-UHFFFAOYSA-N -1 0 345.493 3.690 20 0 EHADRM CC[C@H](C)Sc1ccc(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c(C)c1 ZINC000871654401 1137551958 /nfs/dbraw/zinc/55/19/58/1137551958.db2.gz XQUQQHRTPIGZLH-AVGNSLFASA-N -1 0 336.457 3.870 20 0 EHADRM COCCOc1ccc(CNc2ccc(C)c(C(=O)[O-])c2C)cc1 ZINC000871884686 1137562478 /nfs/dbraw/zinc/56/24/78/1137562478.db2.gz FZMGHRJHCUYEJS-UHFFFAOYSA-N -1 0 329.396 3.639 20 0 EHADRM O=S(=O)([N-]c1nc(C2CC2)cs1)c1ccc(F)c(C(F)F)c1 ZINC000872002580 1137564308 /nfs/dbraw/zinc/56/43/08/1137564308.db2.gz UGDPUUJWWYBDQN-UHFFFAOYSA-N -1 0 348.371 3.898 20 0 EHADRM COc1ccccc1-c1nc(CN(C)C2(C(=O)[O-])CCCCC2)co1 ZINC000872162794 1137574677 /nfs/dbraw/zinc/57/46/77/1137574677.db2.gz WSPLBTQARPJLNB-UHFFFAOYSA-N -1 0 344.411 3.570 20 0 EHADRM COCC1(N(C)Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)CCC1 ZINC000872171180 1137575107 /nfs/dbraw/zinc/57/51/07/1137575107.db2.gz OAZWXEHCTNQSEW-UHFFFAOYSA-N -1 0 346.452 3.509 20 0 EHADRM COc1ccc(C2CC2)c([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000872414556 1137579741 /nfs/dbraw/zinc/57/97/41/1137579741.db2.gz KHQYQDLPHXFJPF-UHFFFAOYSA-N -1 0 339.363 3.652 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)c2sccc2C(F)F)sc1C(=O)[O-] ZINC000872718203 1137583126 /nfs/dbraw/zinc/58/31/26/1137583126.db2.gz KWSGRTMLQNMEKB-ZCFIWIBFSA-N -1 0 346.380 3.640 20 0 EHADRM CCCCOc1ccc(NC(=O)C(C)(C)SCC(=O)[O-])c(C)c1 ZINC000872837529 1137585228 /nfs/dbraw/zinc/58/52/28/1137585228.db2.gz HCWMIHVWQNGLQB-UHFFFAOYSA-N -1 0 339.457 3.709 20 0 EHADRM C[C@@H](NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])c1csc2ccccc21 ZINC000872843710 1137585434 /nfs/dbraw/zinc/58/54/34/1137585434.db2.gz OVIUEVMCSKHGBO-VWYCJHECSA-N -1 0 337.466 3.673 20 0 EHADRM Cc1ccc(C)c(C(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)c1C(=O)[O-] ZINC000872864796 1137585758 /nfs/dbraw/zinc/58/57/58/1137585758.db2.gz SOYXKDRJSUUXQA-OAHLLOKOSA-N -1 0 343.810 3.552 20 0 EHADRM C[C@@H](c1ccccc1)N(C)C(=O)C[C@@]1(C(=O)[O-])CCc2ccccc21 ZINC000872887910 1137586078 /nfs/dbraw/zinc/58/60/78/1137586078.db2.gz QVNGERWQKLJTON-BTYIYWSLSA-N -1 0 337.419 3.565 20 0 EHADRM CC[C@](C)(CC(=O)[O-])C(=O)N[C@@H](C)c1nc2ccccc2n1C(C)C ZINC000872934597 1137586715 /nfs/dbraw/zinc/58/67/15/1137586715.db2.gz FCXPPYPKBBRFEZ-ORAYPTAESA-N -1 0 345.443 3.685 20 0 EHADRM C[C@H]1C[C@H](C)CN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])C1 ZINC000873733042 1137606487 /nfs/dbraw/zinc/60/64/87/1137606487.db2.gz VWXJTXWYYVATDQ-STQMWFEESA-N -1 0 327.380 3.583 20 0 EHADRM CC(C)N(Cc1ccccc1F)C(=O)NCc1ccccc1C(=O)[O-] ZINC000874410330 1137613726 /nfs/dbraw/zinc/61/37/26/1137613726.db2.gz QCEJNXVJNMPFIZ-UHFFFAOYSA-N -1 0 344.386 3.644 20 0 EHADRM CCCN(Cc1ccc(F)cc1)C(=O)NCc1ccccc1C(=O)[O-] ZINC000874410095 1137613736 /nfs/dbraw/zinc/61/37/36/1137613736.db2.gz JKVRFFYMUBMDMV-UHFFFAOYSA-N -1 0 344.386 3.646 20 0 EHADRM COCC[C@@H](Cc1cccc(-c2ccc(C=O)c(F)c2)c1)C(=O)[O-] ZINC000874973406 1137627385 /nfs/dbraw/zinc/62/73/85/1137627385.db2.gz JJGORLDIULMNTR-INIZCTEOSA-N -1 0 330.355 3.585 20 0 EHADRM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000825777638 1137631127 /nfs/dbraw/zinc/63/11/27/1137631127.db2.gz AAJGLHFPDDKVSF-RDTXWAMCSA-N -1 0 338.407 3.724 20 0 EHADRM O=C(Cc1cc2c(ccc3ccccc23)o1)[N-]O[C@H]1CCCCO1 ZINC000126224014 1137664842 /nfs/dbraw/zinc/66/48/42/1137664842.db2.gz XQCIBVLMENQJID-IBGZPJMESA-N -1 0 325.364 3.703 20 0 EHADRM COc1cc(-c2nc(-c3ccc4[n-]c(=S)sc4c3)no2)ccn1 ZINC001212781296 1137687988 /nfs/dbraw/zinc/68/79/88/1137687988.db2.gz KUJJRSSEBYGJEV-UHFFFAOYSA-N -1 0 342.405 3.706 20 0 EHADRM O=C([N-]OCCCC(F)(F)F)C1(c2cccnc2)CC2(CCC2)C1 ZINC000881428924 1137807032 /nfs/dbraw/zinc/80/70/32/1137807032.db2.gz LLGLHJQKJAPMSC-UHFFFAOYSA-N -1 0 342.361 3.674 20 0 EHADRM O=S(=O)([N-]c1ncsc1C1CC1)c1cccc(Cl)c1F ZINC000882771076 1137833853 /nfs/dbraw/zinc/83/38/53/1137833853.db2.gz NLGKDWQSFJTSFC-UHFFFAOYSA-N -1 0 332.809 3.614 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1 ZINC000131709396 1137859290 /nfs/dbraw/zinc/85/92/90/1137859290.db2.gz DZXYLNAZMXNJRG-JKSUJKDBSA-N -1 0 345.464 3.696 20 0 EHADRM Cc1ccccc1S([O-])=CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000108087526 1137888666 /nfs/dbraw/zinc/88/86/66/1137888666.db2.gz NTAHXGCJVVXGDA-KOSHJBKYSA-N -1 0 341.476 3.639 20 0 EHADRM CC(C)c1csc([N-]S(=O)(=O)/C=C/c2ccccc2F)n1 ZINC000800030736 1137894972 /nfs/dbraw/zinc/89/49/72/1137894972.db2.gz SPEVYHHLHZIQLI-BQYQJAHWSA-N -1 0 326.418 3.818 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OC(C)(C)O3)sc1C ZINC000332224433 1137936397 /nfs/dbraw/zinc/93/63/97/1137936397.db2.gz JZCGCDLDSRUFEE-UHFFFAOYSA-N -1 0 339.438 3.673 20 0 EHADRM C[C@@H](C1CCCCC1)N(C)C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000332337791 1137940494 /nfs/dbraw/zinc/94/04/94/1137940494.db2.gz OCTHJCHHSQGRSZ-ZDUSSCGKSA-N -1 0 345.418 3.758 20 0 EHADRM CC[C@@H](C)[C@@H]1CCCCN1C(=O)N=c1ncn(C2CCCCC2)[n-]1 ZINC000332703724 1137951475 /nfs/dbraw/zinc/95/14/75/1137951475.db2.gz TTZMVNZALZEFGR-ZBFHGGJFSA-N -1 0 333.480 3.638 20 0 EHADRM Cc1ccc(C[C@@H]2CCCN2C(=O)c2s[n-]c(=O)c2Cl)cc1 ZINC000282975366 1138240328 /nfs/dbraw/zinc/24/03/28/1138240328.db2.gz GOJDCWHJZGBCEX-LBPRGKRZSA-N -1 0 336.844 3.658 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1 ZINC000887315806 1138262834 /nfs/dbraw/zinc/26/28/34/1138262834.db2.gz BRYHXWRQXHBBAH-UPJWGTAASA-N -1 0 345.292 3.865 20 0 EHADRM Cc1ccccc1S([O-])=CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000133940134 1138664662 /nfs/dbraw/zinc/66/46/62/1138664662.db2.gz MISKPMLLADPDDI-FATZIPQQSA-N -1 0 349.883 3.976 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2cnoc2CC)c2ccccc12 ZINC000337843241 1138680280 /nfs/dbraw/zinc/68/02/80/1138680280.db2.gz GVXMCKQXWAWPHT-UHFFFAOYSA-N -1 0 346.408 3.590 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@@H](c2cccc(C)c2)c2ccccn2)s[n-]1 ZINC000337885112 1138690489 /nfs/dbraw/zinc/69/04/89/1138690489.db2.gz XJBZFVLOHPIJDQ-BBRMVZONSA-N -1 0 340.452 3.572 20 0 EHADRM CO[C@@H](C)c1nc(=NCc2ccc(-c3ccccc3F)o2)s[n-]1 ZINC000337912078 1138696724 /nfs/dbraw/zinc/69/67/24/1138696724.db2.gz KDMSESIHVRDXGD-JTQLQIEISA-N -1 0 333.388 3.679 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc(Cl)sc1Cl ZINC000223852316 1138726010 /nfs/dbraw/zinc/72/60/10/1138726010.db2.gz VOXCTUFMLKPZLD-JEZHCXPESA-N -1 0 348.251 3.913 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1nc2cccnc2s1 ZINC000338181175 1138777837 /nfs/dbraw/zinc/77/78/37/1138777837.db2.gz VVHOPJBXGCABHD-UHFFFAOYSA-N -1 0 340.191 3.956 20 0 EHADRM C[C@@H]1CN(C(=O)CSc2n[n-]c(=S)s2)[C@@H]1c1ccccc1 ZINC000176481513 1139560015 /nfs/dbraw/zinc/56/00/15/1139560015.db2.gz PZXGSTMVNVBDPI-SKDRFNHKSA-N -1 0 337.495 3.512 20 0 EHADRM CCCn1nc(C)c(/C=C/c2ncc(C(=O)[O-])c(C(C)C)n2)c1C ZINC000178030642 1139664610 /nfs/dbraw/zinc/66/46/10/1139664610.db2.gz QOVIODUPMCUWLM-BQYQJAHWSA-N -1 0 328.416 3.692 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCC(C)(C)C2)c1Cl ZINC000777352422 1139799009 /nfs/dbraw/zinc/79/90/09/1139799009.db2.gz PFHLGWOZTALEOP-GFCCVEGCSA-N -1 0 343.876 3.670 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000180086207 1139807263 /nfs/dbraw/zinc/80/72/63/1139807263.db2.gz CGLFMPQQTMYLDL-GFCCVEGCSA-N -1 0 349.402 3.925 20 0 EHADRM CCS[C@H]1CCC[C@@H](NC(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000180122592 1139811603 /nfs/dbraw/zinc/81/16/03/1139811603.db2.gz GCUZPBHCZIGFSK-BDAKNGLRSA-N -1 0 333.375 3.604 20 0 EHADRM O=C(C[C@H]1CCCN1C(=O)c1cc(F)c([O-])c(F)c1)c1ccccc1 ZINC000180143827 1139811990 /nfs/dbraw/zinc/81/19/90/1139811990.db2.gz BZBWWPAWEFSNQK-CQSZACIVSA-N -1 0 345.345 3.548 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N(Cc1cccs1)C1CC1 ZINC000183369103 1140033276 /nfs/dbraw/zinc/03/32/76/1140033276.db2.gz GOLYMUNOCRUFCY-UHFFFAOYSA-N -1 0 327.327 3.676 20 0 EHADRM C[C@H](CNC(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1)CC(=O)[O-] ZINC000777397120 1140046119 /nfs/dbraw/zinc/04/61/19/1140046119.db2.gz WMTCCYAPILDSHE-UPZNUWHASA-N -1 0 347.411 3.794 20 0 EHADRM Cc1nc2c(s1)[C@H](N(C)C(=O)c1ccc([O-])c(Cl)c1)CCC2 ZINC000183604743 1140049466 /nfs/dbraw/zinc/04/94/66/1140049466.db2.gz AZFJHWCXMQMQNJ-CYBMUJFWSA-N -1 0 336.844 3.960 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)C[C@H](C)c1c(C)noc1C)C(=O)[O-] ZINC000191146402 1140439634 /nfs/dbraw/zinc/43/96/34/1140439634.db2.gz VIQCJHBTHRQOCI-KPZWWZAWSA-N -1 0 338.448 3.715 20 0 EHADRM O=C([O-])C1CCC(C(=O)NCCc2cc(Cl)cc(Cl)c2)CC1 ZINC000194403367 1140607270 /nfs/dbraw/zinc/60/72/70/1140607270.db2.gz QXGOFZRQBXOJOU-UHFFFAOYSA-N -1 0 344.238 3.543 20 0 EHADRM O=C([O-])C1CCC(C(=O)NCC2(c3cccs3)CCCCC2)CC1 ZINC000194421112 1140608365 /nfs/dbraw/zinc/60/83/65/1140608365.db2.gz ZEKWKANHSSZKCN-UHFFFAOYSA-N -1 0 349.496 3.957 20 0 EHADRM O=C([O-])C1CCC(C(=O)N[C@@H]2CCCC[C@@H]2Cc2ccccc2)CC1 ZINC000194410025 1140608391 /nfs/dbraw/zinc/60/83/91/1140608391.db2.gz RULFFACSNWFVJM-CSODTCANSA-N -1 0 343.467 3.795 20 0 EHADRM O=C([O-])C1CCC(C(=O)N2CCC[C@H]2c2ccccc2Cl)CC1 ZINC000194428067 1140609600 /nfs/dbraw/zinc/60/96/00/1140609600.db2.gz HANMOUHZBCITOV-ZUEPYMLJSA-N -1 0 335.831 3.895 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(CC)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000194433600 1140609721 /nfs/dbraw/zinc/60/97/21/1140609721.db2.gz WKTJCYMKDUHVNP-ABHNRTSZSA-N -1 0 331.456 3.747 20 0 EHADRM CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000267485431 1140797009 /nfs/dbraw/zinc/79/70/09/1140797009.db2.gz ZTQDTAUVYWHJON-ABAIWWIYSA-N -1 0 345.468 3.665 20 0 EHADRM COc1cccc(/C=C\c2nc(C(=O)[O-])c(C)s2)c1OC(F)F ZINC000339113847 1141500821 /nfs/dbraw/zinc/50/08/21/1141500821.db2.gz JIFFZXFTFFRZNP-SREVYHEPSA-N -1 0 341.335 3.930 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C1CCCCC1 ZINC000038036089 213194602 /nfs/dbraw/zinc/19/46/02/213194602.db2.gz WSEDWNZOAQVTSN-CYBMUJFWSA-N -1 0 330.211 3.757 20 0 EHADRM Cc1ccc(-c2csc3ncnc(N4CCC[C@H]4C(=O)[O-])c23)cc1 ZINC000020318013 212119031 /nfs/dbraw/zinc/11/90/31/212119031.db2.gz ODKWXCBPMUGDER-AWEZNQCLSA-N -1 0 339.420 3.720 20 0 EHADRM O=C([O-])c1ccc(OCc2cc(F)ccc2Br)cc1 ZINC000019803146 212070291 /nfs/dbraw/zinc/07/02/91/212070291.db2.gz LKWMRMIUONMFDY-UHFFFAOYSA-N -1 0 325.133 3.865 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N1CCSC2(CCCCC2)C1 ZINC000819608782 596919107 /nfs/dbraw/zinc/91/91/07/596919107.db2.gz BEDXXJUOAKVALM-UHFFFAOYSA-N -1 0 348.468 3.597 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000532693866 597089470 /nfs/dbraw/zinc/08/94/70/597089470.db2.gz APNMSUCSNWCPOG-AWEZNQCLSA-N -1 0 337.847 3.622 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)Nc2cccc(-c3nccs3)c2)C1 ZINC000582894798 597118758 /nfs/dbraw/zinc/11/87/58/597118758.db2.gz ISVKZARFWVBOIP-LBPRGKRZSA-N -1 0 345.424 3.529 20 0 EHADRM O=C([O-])Cc1cccc(NCc2c(F)cccc2N2CCCC2)c1 ZINC000518726034 597137637 /nfs/dbraw/zinc/13/76/37/597137637.db2.gz NXGOMGGANOVTIK-UHFFFAOYSA-N -1 0 328.387 3.665 20 0 EHADRM CC(C)(NC(=O)Nc1cccc(CC(=O)[O-])c1)c1ccc(F)cc1 ZINC000737595712 597183812 /nfs/dbraw/zinc/18/38/12/597183812.db2.gz MOGMREWDNAQBTD-UHFFFAOYSA-N -1 0 330.359 3.510 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000321320174 597187765 /nfs/dbraw/zinc/18/77/65/597187765.db2.gz OGLXXOOHOZOLTR-LLVKDONJSA-N -1 0 332.787 3.850 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)c1cccc(Cl)c1 ZINC000390978857 597192129 /nfs/dbraw/zinc/19/21/29/597192129.db2.gz RUCIBYJTAIVMOX-LLVKDONJSA-N -1 0 332.787 3.850 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N2CCC[C@@H]2C2CCCCC2)c1 ZINC000738624259 597192780 /nfs/dbraw/zinc/19/27/80/597192780.db2.gz OVQIAEOHJBTXHQ-QGZVFWFLSA-N -1 0 330.428 3.890 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N2CCc3c(Cl)cccc3C2)c1 ZINC000738625368 597200191 /nfs/dbraw/zinc/20/01/91/597200191.db2.gz YYUMBHODAZBALI-UHFFFAOYSA-N -1 0 344.798 3.557 20 0 EHADRM C[C@@H]1c2ccc(F)cc2CCN1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737766221 597203219 /nfs/dbraw/zinc/20/32/19/597203219.db2.gz PJNPSJDYPZLFQS-GFCCVEGCSA-N -1 0 342.370 3.604 20 0 EHADRM CC(C)(C)c1csc(C[S@@](=O)Cc2ccc(C(=O)[O-])cc2)n1 ZINC000817818128 597285311 /nfs/dbraw/zinc/28/53/11/597285311.db2.gz DSMTVNONFRRBPM-QFIPXVFZSA-N -1 0 337.466 3.588 20 0 EHADRM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NCCCC(=O)[O-] ZINC000263469799 597307095 /nfs/dbraw/zinc/30/70/95/597307095.db2.gz LBTLXPRAPZYGJY-SECBINFHSA-N -1 0 333.215 3.561 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)NCCCSc1ccccc1 ZINC000819618000 597329251 /nfs/dbraw/zinc/32/92/51/597329251.db2.gz JLNQZTPJSXYUAL-UHFFFAOYSA-N -1 0 344.436 3.618 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N1CCC[C@H]1Cc1ccccc1 ZINC000819608869 597336810 /nfs/dbraw/zinc/33/68/10/597336810.db2.gz CXIWVCUESDZTDF-KRWDZBQOSA-N -1 0 338.407 3.553 20 0 EHADRM CC[C@](C)(NC(=O)Nc1ccccc1CC(=O)[O-])c1nc(C)cs1 ZINC000818132304 597343367 /nfs/dbraw/zinc/34/33/67/597343367.db2.gz PWZYFNXRQXKDBE-KRWDZBQOSA-N -1 0 347.440 3.526 20 0 EHADRM Cc1cc(NCc2cnc(-c3ccncc3)s2)ccc1C(=O)[O-] ZINC000821041766 597464590 /nfs/dbraw/zinc/46/45/90/597464590.db2.gz PROOQBAFJHZXHM-UHFFFAOYSA-N -1 0 325.393 3.824 20 0 EHADRM Cc1c(C(=O)Nc2cccc(CC(=O)[O-])c2)cnn1C1CCCCC1 ZINC000515369527 597671675 /nfs/dbraw/zinc/67/16/75/597671675.db2.gz CYPPWLMDMQGZLF-UHFFFAOYSA-N -1 0 341.411 3.576 20 0 EHADRM C[C@H](Nc1cccc(CC(=O)[O-])c1)c1ccc(N2CCCC2=O)cc1 ZINC000820154379 598198309 /nfs/dbraw/zinc/19/83/09/598198309.db2.gz NCAVBLVACRMVMY-AWEZNQCLSA-N -1 0 338.407 3.614 20 0 EHADRM O=C([O-])c1cccc(CNc2ccc(NC(=O)c3ccco3)cc2)c1 ZINC000821552415 598202981 /nfs/dbraw/zinc/20/29/81/598202981.db2.gz LFPSNOMWTTYHJW-UHFFFAOYSA-N -1 0 336.347 3.842 20 0 EHADRM COc1c(Cl)cc(NC(=O)[C@H](CC(C)C)NC(=O)[O-])cc1Cl ZINC000737840110 599703492 /nfs/dbraw/zinc/70/34/92/599703492.db2.gz QZATUNMUSGAHPT-NSHDSACASA-N -1 0 349.214 3.623 20 0 EHADRM CN(Cc1ccccc1-c1ccccc1)C(=O)c1ccc(C(=O)[O-])cn1 ZINC000190619051 599702928 /nfs/dbraw/zinc/70/29/28/599702928.db2.gz KMVYAWMEKZHROU-UHFFFAOYSA-N -1 0 346.386 3.719 20 0 EHADRM CCOc1ccccc1[C@@H](CC)NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000737211065 599703501 /nfs/dbraw/zinc/70/35/01/599703501.db2.gz LYGOTOUOWVJUEZ-CQSZACIVSA-N -1 0 344.411 3.610 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(-c3ccccc3F)on2)c(F)c1 ZINC000677848075 599704878 /nfs/dbraw/zinc/70/48/78/599704878.db2.gz NCZLNSNAGZXSSJ-UHFFFAOYSA-N -1 0 344.273 3.570 20 0 EHADRM CCCC[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)[O-] ZINC000736985408 599708894 /nfs/dbraw/zinc/70/88/94/599708894.db2.gz OLUJIRNQMVIHTG-OAHLLOKOSA-N -1 0 345.468 3.939 20 0 EHADRM CCCC[C@@H](Sc1nnc2cc(C)c3ccccc3n21)C(=O)[O-] ZINC000736985135 599709996 /nfs/dbraw/zinc/70/99/96/599709996.db2.gz MLZZZSBPCBURGG-CQSZACIVSA-N -1 0 329.425 3.926 20 0 EHADRM CCCC[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1C)C(=O)[O-] ZINC000736986388 599710452 /nfs/dbraw/zinc/71/04/52/599710452.db2.gz VFXQFSAGXPCYCN-LBPRGKRZSA-N -1 0 339.848 3.871 20 0 EHADRM CN(CCCC(=O)Oc1ccc2oc3ccccc3c2c1)C(=O)[O-] ZINC000737438703 599726638 /nfs/dbraw/zinc/72/66/38/599726638.db2.gz ZRYUKANUTKURCJ-UHFFFAOYSA-N -1 0 327.336 3.881 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)c2sc(CC(C)C)nc2C)c1 ZINC000737949785 599744682 /nfs/dbraw/zinc/74/46/82/599744682.db2.gz UBODXNQIUCMFIH-UHFFFAOYSA-N -1 0 349.408 3.576 20 0 EHADRM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCCN(C)C(=O)[O-] ZINC000736929531 599746235 /nfs/dbraw/zinc/74/62/35/599746235.db2.gz QIYWVQAQAFBKGF-IAGOWNOFSA-N -1 0 332.444 3.561 20 0 EHADRM O=C([O-])c1sccc1NC(=O)CSc1ccnc2ccccc21 ZINC000739338452 599750804 /nfs/dbraw/zinc/75/08/04/599750804.db2.gz RKJCNXFVIOLXHN-UHFFFAOYSA-N -1 0 344.417 3.725 20 0 EHADRM O=C([O-])c1sccc1NC(=O)c1cc(F)c(Cl)nc1Cl ZINC000739488597 599752415 /nfs/dbraw/zinc/75/24/15/599752415.db2.gz RDZULLWUHAIYRG-UHFFFAOYSA-N -1 0 335.143 3.540 20 0 EHADRM COc1ccc(CNC(=O)N(C)CCC2CCCCC2)cc1C(=O)[O-] ZINC000738002125 599761915 /nfs/dbraw/zinc/76/19/15/599761915.db2.gz OWFDKXZTVHFIOO-UHFFFAOYSA-N -1 0 348.443 3.505 20 0 EHADRM O=C([O-])c1cccc(CNc2cc(F)ccc2OC[C@H]2CCCO2)c1 ZINC000263461596 599763504 /nfs/dbraw/zinc/76/35/04/599763504.db2.gz IXSQZDHHPBMQLR-MRXNPFEDSA-N -1 0 345.370 3.694 20 0 EHADRM CN(CCCC(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1)C(=O)[O-] ZINC000737423865 599765565 /nfs/dbraw/zinc/76/55/65/599765565.db2.gz UYXMRDPEXDMWCA-INIZCTEOSA-N -1 0 338.835 3.687 20 0 EHADRM Cc1ccc(CCC(=O)Nc2ccc(CCC(=O)[O-])cc2)c(C)c1 ZINC000237688052 599767831 /nfs/dbraw/zinc/76/78/31/599767831.db2.gz OTOHZYKPEBCOIM-UHFFFAOYSA-N -1 0 325.408 3.892 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1 ZINC000238027965 599768038 /nfs/dbraw/zinc/76/80/38/599768038.db2.gz RYVWBPPTMLMKBV-UHFFFAOYSA-N -1 0 331.799 3.929 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2ccccc2OC(F)F)cc1 ZINC000238033905 599768787 /nfs/dbraw/zinc/76/87/87/599768787.db2.gz DUAKVUCKFGODKJ-UHFFFAOYSA-N -1 0 335.306 3.558 20 0 EHADRM CC[C@H]1CCCN1CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000736941530 599772933 /nfs/dbraw/zinc/77/29/33/599772933.db2.gz YDBGFMVTHDECLQ-JTQLQIEISA-N -1 0 345.226 3.505 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCCC[C@@H]2Cc2ccc(F)cc2)c1 ZINC000540668107 599773517 /nfs/dbraw/zinc/77/35/17/599773517.db2.gz NLFAMGDIINJCAV-GOSISDBHSA-N -1 0 341.382 3.761 20 0 EHADRM Cc1ccccc1OCCCNc1nc(Cl)c(C(=O)[O-])s1 ZINC000738783888 599779025 /nfs/dbraw/zinc/77/90/25/599779025.db2.gz DNSDENCDNVNIPP-UHFFFAOYSA-N -1 0 326.805 3.684 20 0 EHADRM CC[C@H](Cc1ccccc1)NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000736906763 599781802 /nfs/dbraw/zinc/78/18/02/599781802.db2.gz PGJHXXWVTIZRFG-GOSISDBHSA-N -1 0 340.423 3.548 20 0 EHADRM O=C([O-])[C@H](NCc1ccc(F)cc1Cl)c1cc(F)ccc1F ZINC000683172195 599788204 /nfs/dbraw/zinc/78/82/04/599788204.db2.gz APILUEPRZDKBRD-CQSZACIVSA-N -1 0 329.705 3.673 20 0 EHADRM CCCC[C@@H]1CCC[C@H]1NC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000736986397 599789217 /nfs/dbraw/zinc/78/92/17/599789217.db2.gz VMQCKXVBNSBIMC-CZUORRHYSA-N -1 0 334.416 3.630 20 0 EHADRM CCCC[C@H]1CCC[C@@H]1NC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000736986395 599789257 /nfs/dbraw/zinc/78/92/57/599789257.db2.gz VMQCKXVBNSBIMC-BBRMVZONSA-N -1 0 334.416 3.630 20 0 EHADRM O=C([O-])COc1cccc(C(=O)O[C@H]2CCc3ccc(Cl)cc32)c1 ZINC000739830916 599793740 /nfs/dbraw/zinc/79/37/40/599793740.db2.gz FEJHWZRXDGWYBD-INIZCTEOSA-N -1 0 346.766 3.648 20 0 EHADRM COc1ccc([C@H](C)C(=O)Oc2cc(Cl)ccc2C(=O)[O-])cc1 ZINC000737946006 599798049 /nfs/dbraw/zinc/79/80/49/599798049.db2.gz FYJWJZCFRHLHLY-JTQLQIEISA-N -1 0 334.755 3.756 20 0 EHADRM O=C([O-])NCCC(=O)O[C@@H](CCc1ccccc1)c1ccccc1 ZINC000739948281 599800308 /nfs/dbraw/zinc/80/03/08/599800308.db2.gz JRNPADMCANOQAH-KRWDZBQOSA-N -1 0 327.380 3.561 20 0 EHADRM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccsc1C(=O)[O-] ZINC000037451770 599803177 /nfs/dbraw/zinc/80/31/77/599803177.db2.gz MTYNSBLNWXZRQO-QMMMGPOBSA-N -1 0 325.773 3.506 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)/C=C/Sc1ccccc1 ZINC000737869146 599805842 /nfs/dbraw/zinc/80/58/42/599805842.db2.gz XWTUYHUWVZTQQY-MDZDMXLPSA-N -1 0 330.361 3.605 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(C(F)F)cc2)c(F)cc1F ZINC000739458301 599809938 /nfs/dbraw/zinc/80/99/38/599809938.db2.gz JUBWCGKNQIKJSR-UHFFFAOYSA-N -1 0 327.233 3.853 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1cccc(F)c1F ZINC000236637704 599811591 /nfs/dbraw/zinc/81/15/91/599811591.db2.gz QODBUKVXQIXGAP-UHFFFAOYSA-N -1 0 335.306 3.703 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc(C(=O)[O-])c1)C(C)(C)c1ccccc1 ZINC000736648244 599814878 /nfs/dbraw/zinc/81/48/78/599814878.db2.gz CQFWFQGWYMXAQD-CYBMUJFWSA-N -1 0 326.396 3.873 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)C[C@H]2CCCc3ccccc32)cc1 ZINC000262595444 599816048 /nfs/dbraw/zinc/81/60/48/599816048.db2.gz WNQCZCQRLANGQC-OAHLLOKOSA-N -1 0 339.391 3.599 20 0 EHADRM O=C([O-])CN(Cc1ccccc1)C(=O)C[C@H]1CCCc2ccccc21 ZINC000347346071 599817821 /nfs/dbraw/zinc/81/78/21/599817821.db2.gz LOLUEEQQFIOFIL-GOSISDBHSA-N -1 0 337.419 3.610 20 0 EHADRM CCCCCNC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000736989989 599820434 /nfs/dbraw/zinc/82/04/34/599820434.db2.gz FWXMNYPEEVMIQN-UHFFFAOYSA-N -1 0 348.321 3.638 20 0 EHADRM COc1ccc(NC(=O)C[C@H]2CCCc3ccccc32)c(C(=O)[O-])c1 ZINC000738028449 599820809 /nfs/dbraw/zinc/82/08/09/599820809.db2.gz RJROTHKTXFHSJS-CQSZACIVSA-N -1 0 339.391 3.842 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)[C@H](NC(=O)[O-])C(C)C)ccc21 ZINC000736455736 599821080 /nfs/dbraw/zinc/82/10/80/599821080.db2.gz SKAJXMGMHWKPLS-MRXNPFEDSA-N -1 0 331.416 3.528 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000325553086 599825636 /nfs/dbraw/zinc/82/56/36/599825636.db2.gz VNLGQKBUSXTGBF-LBPRGKRZSA-N -1 0 344.333 3.510 20 0 EHADRM COc1ccccc1[C@H](C)NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000738120580 599826354 /nfs/dbraw/zinc/82/63/54/599826354.db2.gz MYUSAWDRMIOYES-ZDUSSCGKSA-N -1 0 342.395 3.595 20 0 EHADRM CN(C(=O)Nc1ccc(CCC(=O)[O-])cc1)[C@@H]1CCc2ccccc21 ZINC000737331540 599827493 /nfs/dbraw/zinc/82/74/93/599827493.db2.gz YAFWUWQXDHMWOW-GOSISDBHSA-N -1 0 338.407 3.855 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)c(Cl)c1 ZINC000737930185 599828854 /nfs/dbraw/zinc/82/88/54/599828854.db2.gz MIZVQCNKQHCBMD-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM C[C@@H](Cc1ccsc1)NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000322728351 599830389 /nfs/dbraw/zinc/83/03/89/599830389.db2.gz SUIIJDVFSDJYJI-LBPRGKRZSA-N -1 0 332.425 3.518 20 0 EHADRM CCOc1cc(/C=C(\C(=O)[O-])c2ccncc2)ccc1OC(F)F ZINC000737190887 599830989 /nfs/dbraw/zinc/83/09/89/599830989.db2.gz FCJXQTPTASDBBE-LCYFTJDESA-N -1 0 335.306 3.707 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@@H]2CCCc3ccccc32)c(F)c1 ZINC000325039307 599836319 /nfs/dbraw/zinc/83/63/19/599836319.db2.gz OZYNDAUMBRBXDO-OAHLLOKOSA-N -1 0 328.343 3.723 20 0 EHADRM CN(C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)c1ccccc1C(=O)[O-] ZINC000737315833 599837499 /nfs/dbraw/zinc/83/74/99/599837499.db2.gz YXKGIXZWHXSJKW-CABCVRRESA-N -1 0 329.783 3.805 20 0 EHADRM Cc1oc(CN(C)C(=O)C[C@H]2CCCc3ccccc32)cc1C(=O)[O-] ZINC000262453455 599841493 /nfs/dbraw/zinc/84/14/93/599841493.db2.gz HNRLWYNBFYIPEV-OAHLLOKOSA-N -1 0 341.407 3.755 20 0 EHADRM CC(C)c1nc(CCNc2nc(Cl)c(C(=O)[O-])s2)cs1 ZINC000736525847 599843151 /nfs/dbraw/zinc/84/31/51/599843151.db2.gz OFWFZHVSKXYILI-UHFFFAOYSA-N -1 0 331.850 3.729 20 0 EHADRM O=C([O-])N1CCC[C@@H](Nc2nc3ccccc3c(-c3ccccc3)n2)C1 ZINC000739927755 599843634 /nfs/dbraw/zinc/84/36/34/599843634.db2.gz NHGWVQBCLITSKR-OAHLLOKOSA-N -1 0 348.406 3.851 20 0 EHADRM Cc1ccc(OCCC(=O)Nc2cccc(F)c2C(=O)[O-])c(C)c1 ZINC000324880910 599843736 /nfs/dbraw/zinc/84/37/36/599843736.db2.gz MDLBASFQMUUTCL-UHFFFAOYSA-N -1 0 331.343 3.548 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000322087181 599843870 /nfs/dbraw/zinc/84/38/70/599843870.db2.gz GUVWDFITKYMWRA-IUCAKERBSA-N -1 0 333.281 3.831 20 0 EHADRM CC(C)c1cc(=O)oc2cc(OCc3cc(C(=O)[O-])co3)ccc21 ZINC000736509908 599844116 /nfs/dbraw/zinc/84/41/16/599844116.db2.gz CAVFJCTUDOBRQB-UHFFFAOYSA-N -1 0 328.320 3.787 20 0 EHADRM Cc1ccccc1OCCCC(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000392102170 599845196 /nfs/dbraw/zinc/84/51/96/599845196.db2.gz QWMXLGRIYLDEBT-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)C=C2CCCCC2)cc1 ZINC000738201237 599845458 /nfs/dbraw/zinc/84/54/58/599845458.db2.gz OJBDJTAMCAVZKB-INIZCTEOSA-N -1 0 333.453 3.931 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000196272181 599848290 /nfs/dbraw/zinc/84/82/90/599848290.db2.gz HSQMNPHHLLKZNB-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)/C=C\c2ccsc2)cc1 ZINC000492351505 599848306 /nfs/dbraw/zinc/84/83/06/599848306.db2.gz UHJGTWPWTMHJDM-HPTQEQEDSA-N -1 0 347.461 3.815 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccc(NCC(=O)[O-])c(C(F)(F)F)c1 ZINC000736286794 599855672 /nfs/dbraw/zinc/85/56/72/599855672.db2.gz VQTJEXBVBQWMAO-UHFFFAOYSA-N -1 0 334.294 3.549 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N[C@H](C)c3cccc(O)c3)c12 ZINC000738363886 599863182 /nfs/dbraw/zinc/86/31/82/599863182.db2.gz PEDYYACAKUSOLV-SECBINFHSA-N -1 0 343.408 3.885 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CCCC[C@H]2Cc2ccccc2)s1 ZINC000740111461 599868145 /nfs/dbraw/zinc/86/81/45/599868145.db2.gz VXNRFFDSJDQODQ-LSDHHAIUSA-N -1 0 343.448 3.978 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)c1ccnc(Cl)c1 ZINC000739435501 599872676 /nfs/dbraw/zinc/87/26/76/599872676.db2.gz FHLSBIDXAJLMLO-UHFFFAOYSA-N -1 0 346.795 3.578 20 0 EHADRM CCC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC000736972950 599881748 /nfs/dbraw/zinc/88/17/48/599881748.db2.gz HTDUQFZJRIGCSQ-ZBFHGGJFSA-N -1 0 348.443 3.552 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000736377325 599889895 /nfs/dbraw/zinc/88/98/95/599889895.db2.gz ZPAYPWVLGZSJII-JTQLQIEISA-N -1 0 339.606 3.878 20 0 EHADRM Cc1cc(NC(=S)NC23CC4CC(CC(C4)C2)C3)ccc1C(=O)[O-] ZINC000738452140 599891941 /nfs/dbraw/zinc/89/19/41/599891941.db2.gz JJXUYAZNQRQMTB-UHFFFAOYSA-N -1 0 344.480 3.948 20 0 EHADRM CCCN(Cc1c(F)cccc1Cl)C(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000737020365 599892747 /nfs/dbraw/zinc/89/27/47/599892747.db2.gz WLSGZWHTAFMCSI-AWEZNQCLSA-N -1 0 344.814 3.510 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)NCCSCc2ccccc2F)c1 ZINC000740030265 599897356 /nfs/dbraw/zinc/89/73/56/599897356.db2.gz HTBCZJHWYQGAGA-UHFFFAOYSA-N -1 0 348.399 3.579 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cccc(OC2CCCC2)c1)c1cccs1 ZINC000448996053 599897778 /nfs/dbraw/zinc/89/77/78/599897778.db2.gz RKKBIPISBDCFSQ-MRXNPFEDSA-N -1 0 345.420 3.625 20 0 EHADRM Cc1ccc(C(C)(C)C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000237268206 599902890 /nfs/dbraw/zinc/90/28/90/599902890.db2.gz OTPSCOPYBFKDMJ-UHFFFAOYSA-N -1 0 325.408 3.629 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C\C(=O)OCc1cc(C(=O)[O-])co1 ZINC000736890499 599904031 /nfs/dbraw/zinc/90/40/31/599904031.db2.gz CVQZGHFEDGYEET-LJTDUEICSA-N -1 0 344.363 3.912 20 0 EHADRM CN(C)c1c(Cl)cccc1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000737373586 599905161 /nfs/dbraw/zinc/90/51/61/599905161.db2.gz CSKSQFVYGOTHNN-UHFFFAOYSA-N -1 0 333.775 3.748 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])cc2C)cc1Cl ZINC000237623486 599907374 /nfs/dbraw/zinc/90/73/74/599907374.db2.gz QRZXYNBJHBRGLE-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM O=Cc1cc(C(=O)[O-])ccc1OCCOc1ccc2ccccc2c1 ZINC000740317378 599910118 /nfs/dbraw/zinc/91/01/18/599910118.db2.gz PYBLSKAFMXDYCQ-UHFFFAOYSA-N -1 0 336.343 3.808 20 0 EHADRM CC(C)n1ncc2ccc(NC(=O)c3cccc(NC(=O)[O-])c3)cc21 ZINC000736539708 599910240 /nfs/dbraw/zinc/91/02/40/599910240.db2.gz LKDCTFLZQGKABC-UHFFFAOYSA-N -1 0 338.367 3.959 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000737094166 599913554 /nfs/dbraw/zinc/91/35/54/599913554.db2.gz QFZLFFURLXDXKL-UHFFFAOYSA-N -1 0 337.847 3.865 20 0 EHADRM COc1ccc(-n2c3ccccc3nc2SCCC(=O)[O-])cc1 ZINC000737917533 599914483 /nfs/dbraw/zinc/91/44/83/599914483.db2.gz GNCOJYCKQZPJCQ-UHFFFAOYSA-N -1 0 328.393 3.601 20 0 EHADRM Cc1cc(NC(=O)c2cnc(OC(C)C)c(Cl)c2)ccc1C(=O)[O-] ZINC000676039723 599914685 /nfs/dbraw/zinc/91/46/85/599914685.db2.gz UUOWXGOPDZADSF-UHFFFAOYSA-N -1 0 348.786 3.781 20 0 EHADRM Cc1c(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)oc2c1c(C)ccc2C ZINC000237389676 599915116 /nfs/dbraw/zinc/91/51/16/599915116.db2.gz MHJLQRCRZFMHJW-GFCCVEGCSA-N -1 0 329.396 3.683 20 0 EHADRM COc1ccc(S[C@H](C)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000531746209 599915340 /nfs/dbraw/zinc/91/53/40/599915340.db2.gz SWWUETCNJNTIPY-GFCCVEGCSA-N -1 0 345.420 3.821 20 0 EHADRM Cc1cc(NC(=O)CCc2ccc([C@H]3C[C@H]3C)o2)ccc1C(=O)[O-] ZINC000392135479 599917069 /nfs/dbraw/zinc/91/70/69/599917069.db2.gz MZZNFTVFFNQWGJ-WBMJQRKESA-N -1 0 327.380 3.981 20 0 EHADRM Cc1cc(NC(=O)Cc2ccc(Br)cc2)ccc1C(=O)[O-] ZINC000044749812 599917565 /nfs/dbraw/zinc/91/75/65/599917565.db2.gz SSQJFEOEARCTNC-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)/C=C/c2cccs2)c1 ZINC000123488611 599921998 /nfs/dbraw/zinc/92/19/98/599921998.db2.gz AQGZFNRQFHUKKB-VOTSOKGWSA-N -1 0 333.434 3.718 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)c1nc(C(F)F)nc2ccccc21 ZINC000737471313 599922084 /nfs/dbraw/zinc/92/20/84/599922084.db2.gz SYJURQNMWPOJOQ-UHFFFAOYSA-N -1 0 343.333 3.902 20 0 EHADRM C[C@@H](CN(C(=O)c1cccc(Oc2ccccc2)c1)C1CC1)C(=O)[O-] ZINC000237473940 599923436 /nfs/dbraw/zinc/92/34/36/599923436.db2.gz JYGQVQPTNQJJCX-AWEZNQCLSA-N -1 0 339.391 3.804 20 0 EHADRM CC(C)C[C@@H](NC(=O)CN(C)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000736409909 599926089 /nfs/dbraw/zinc/92/60/89/599926089.db2.gz AQLUXZGTCBTTTO-CYBMUJFWSA-N -1 0 346.349 3.519 20 0 EHADRM COc1cccc(NC(=S)N[C@@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000738107398 599927222 /nfs/dbraw/zinc/92/72/22/599927222.db2.gz ZMYIWMUYMRDAAD-INIZCTEOSA-N -1 0 344.436 3.588 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000139385718 599931182 /nfs/dbraw/zinc/93/11/82/599931182.db2.gz INPWDMSUQQRIRF-KSSFIOAISA-N -1 0 343.398 3.727 20 0 EHADRM Cc1ccc(SCC(=O)N[C@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000193459910 599936276 /nfs/dbraw/zinc/93/62/76/599936276.db2.gz AYQFLDHLQBDVNL-QGZVFWFLSA-N -1 0 343.448 3.809 20 0 EHADRM O=C([O-])c1sc2ccccc2c1COC(=O)COc1ccccc1 ZINC000739337830 599943862 /nfs/dbraw/zinc/94/38/62/599943862.db2.gz XKMPYMMFECRWHZ-UHFFFAOYSA-N -1 0 342.372 3.722 20 0 EHADRM Cc1cccc(C2(C(=O)OCc3occc3C(=O)[O-])CCCC2)c1 ZINC000738687085 599946497 /nfs/dbraw/zinc/94/64/97/599946497.db2.gz DCGHJKHLURSGHM-UHFFFAOYSA-N -1 0 328.364 3.841 20 0 EHADRM O=C([O-])c1cccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)c1O ZINC000388381110 599947280 /nfs/dbraw/zinc/94/72/80/599947280.db2.gz XSCZQJGVWREAJE-UHFFFAOYSA-N -1 0 340.162 3.578 20 0 EHADRM O=C([O-])c1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)c1O ZINC000740228481 599950638 /nfs/dbraw/zinc/95/06/38/599950638.db2.gz LVEDJRDVNGJBTJ-DLBZAZTESA-N -1 0 347.370 3.986 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)N[C@@H](C)c1csc2ccccc21 ZINC000736422981 599951047 /nfs/dbraw/zinc/95/10/47/599951047.db2.gz RSTRUXVJZVABJS-SMDDNHRTSA-N -1 0 334.441 3.761 20 0 EHADRM CCc1ccc(-c2noc(CNc3ccc(C(=O)[O-])c(C)c3)n2)cc1 ZINC000737255375 599960509 /nfs/dbraw/zinc/96/05/09/599960509.db2.gz BWHCQXONOIDOFM-UHFFFAOYSA-N -1 0 337.379 3.918 20 0 EHADRM Cc1oc(-c2ccsc2)nc1CC(=O)Oc1cccc(C(=O)[O-])c1 ZINC000738387298 599967980 /nfs/dbraw/zinc/96/79/80/599967980.db2.gz BDYVABXTBTWHQZ-UHFFFAOYSA-N -1 0 343.360 3.558 20 0 EHADRM Cc1oc(-c2ccsc2)nc1CC(=O)Nc1sccc1C(=O)[O-] ZINC000738958729 599969572 /nfs/dbraw/zinc/96/95/72/599969572.db2.gz ZFWKSMDTMWQDEB-UHFFFAOYSA-N -1 0 348.405 3.652 20 0 EHADRM CSC[C@@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC000738188993 599971604 /nfs/dbraw/zinc/97/16/04/599971604.db2.gz VSLLDRPDICXMGB-SECBINFHSA-N -1 0 327.471 3.653 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2cc(F)ccc2N2CCCCC2)c1 ZINC000649462490 599981694 /nfs/dbraw/zinc/98/16/94/599981694.db2.gz BKYSBMDXUUPNMS-UHFFFAOYSA-N -1 0 342.370 3.767 20 0 EHADRM CCOc1ccc(CNC(=O)Nc2cc(C(=O)[O-])ccc2C)cc1F ZINC000737204542 599982050 /nfs/dbraw/zinc/98/20/50/599982050.db2.gz VHXOTQMTEIYZCS-UHFFFAOYSA-N -1 0 346.358 3.553 20 0 EHADRM C[C@@H](NC(=O)NCCCCCC(=O)[O-])c1csc2ccccc21 ZINC000736646852 599983175 /nfs/dbraw/zinc/98/31/75/599983175.db2.gz MKOUKYUVGJSDQU-GFCCVEGCSA-N -1 0 334.441 3.907 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2cc(CC3CCCCC3)[nH]n2)c1 ZINC000740034543 599989738 /nfs/dbraw/zinc/98/97/38/599989738.db2.gz WFQBKERIWVLPTM-UHFFFAOYSA-N -1 0 342.399 3.875 20 0 EHADRM Cc1cccc(C2(CNC(=O)[C@H](CC(C)C)NC(=O)[O-])CCCC2)c1 ZINC000738688256 599992151 /nfs/dbraw/zinc/99/21/51/599992151.db2.gz XTDKDLWDEPXGSW-KRWDZBQOSA-N -1 0 346.471 3.605 20 0 EHADRM Cc1[nH]c2ccccc2c1CCNc1nc(Cl)c(C(=O)[O-])s1 ZINC000738249415 599993696 /nfs/dbraw/zinc/99/36/96/599993696.db2.gz UCZBGCWBBAWQHE-UHFFFAOYSA-N -1 0 335.816 3.939 20 0 EHADRM Cc1[nH]c(C(=O)[C@@H](C)Nc2cccc3c2ccn3C)c(C)c1C(=O)[O-] ZINC000738236808 599995658 /nfs/dbraw/zinc/99/56/58/599995658.db2.gz OYPZRQZTKPBDOC-GFCCVEGCSA-N -1 0 339.395 3.505 20 0 EHADRM O=C([O-])c1ccoc1COC(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000739216466 599996064 /nfs/dbraw/zinc/99/60/64/599996064.db2.gz NUTBNMLMAJPPMV-GFCCVEGCSA-N -1 0 342.269 3.757 20 0 EHADRM CC(C)Oc1ccccc1COC(=O)c1cccc(NC(=O)[O-])c1 ZINC000736492530 599996366 /nfs/dbraw/zinc/99/63/66/599996366.db2.gz CUIFVNDDEKBNDK-UHFFFAOYSA-N -1 0 329.352 3.921 20 0 EHADRM CC(C)[C@H](OC(=O)c1cccc(NC(=O)[O-])c1)C(=O)c1ccccc1 ZINC000736388813 599997450 /nfs/dbraw/zinc/99/74/50/599997450.db2.gz GOFDVLKTEHOCIC-KRWDZBQOSA-N -1 0 341.363 3.841 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2oc3ccc(F)cc3c2C)c1 ZINC000327001845 599998712 /nfs/dbraw/zinc/99/87/12/599998712.db2.gz DILSVQTYLFVUFB-UHFFFAOYSA-N -1 0 343.310 3.839 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c1 ZINC000737732148 600000392 /nfs/dbraw/zinc/00/03/92/600000392.db2.gz BUYJXAYRCMGADH-GUYCJALGSA-N -1 0 342.395 3.732 20 0 EHADRM CCc1ccc([C@H](C)C(=O)Nc2cc(OC)ccc2C(=O)[O-])cc1 ZINC000737256923 600001185 /nfs/dbraw/zinc/00/11/85/600001185.db2.gz MMFOAMXFSJKSIA-LBPRGKRZSA-N -1 0 327.380 3.698 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000738118887 600001704 /nfs/dbraw/zinc/00/17/04/600001704.db2.gz DNHLUFVOKVAUAQ-RYUDHWBXSA-N -1 0 332.352 3.784 20 0 EHADRM O=C([O-])C1CCC(Nc2nc(C(F)(F)F)nc3ccccc32)CC1 ZINC000739563802 600006995 /nfs/dbraw/zinc/00/69/95/600006995.db2.gz NKHQAESHDSDWSD-UHFFFAOYSA-N -1 0 339.317 3.704 20 0 EHADRM O=C([O-])c1cc(NC(=O)C(=O)c2ccc(Cl)cc2)ccc1Cl ZINC000738510678 600007888 /nfs/dbraw/zinc/00/78/88/600007888.db2.gz FUVOXDMPTPGPGV-UHFFFAOYSA-N -1 0 338.146 3.513 20 0 EHADRM Cc1cc(NC(=O)NC[C@@H](C)c2ccc(F)cc2)ccc1C(=O)[O-] ZINC000738440156 600012788 /nfs/dbraw/zinc/01/27/88/600012788.db2.gz DULLLMOVCOVUKF-GFCCVEGCSA-N -1 0 330.359 3.758 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)N[C@H](c1cccs1)C1CC1)C2 ZINC000740201847 600014424 /nfs/dbraw/zinc/01/44/24/600014424.db2.gz FLJYTCOLTKBRGB-INIZCTEOSA-N -1 0 342.420 3.623 20 0 EHADRM CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000067454442 600018840 /nfs/dbraw/zinc/01/88/40/600018840.db2.gz ZPQGPROMEOSJCZ-OAHLLOKOSA-N -1 0 330.771 3.625 20 0 EHADRM CC(C)(C)[C@H]1CCc2sc(C(=O)N3CCC[C@H](C(=O)[O-])C3)cc2C1 ZINC000236729513 600020353 /nfs/dbraw/zinc/02/03/53/600020353.db2.gz RMJRFFKGWZTODM-JSGCOSHPSA-N -1 0 349.496 3.836 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000740132031 600021671 /nfs/dbraw/zinc/02/16/71/600021671.db2.gz BUFWPMADIARIEJ-UONOGXRCSA-N -1 0 332.302 3.510 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263442050 600026658 /nfs/dbraw/zinc/02/66/58/600026658.db2.gz DUBQZDDUDXKXFI-UHFFFAOYSA-N -1 0 344.864 3.576 20 0 EHADRM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000738400148 600027385 /nfs/dbraw/zinc/02/73/85/600027385.db2.gz YOFQHFCCIXQWKE-LBPRGKRZSA-N -1 0 348.782 3.648 20 0 EHADRM Cc1ccc(Nc2ccccc2C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000128499657 600029294 /nfs/dbraw/zinc/02/92/94/600029294.db2.gz SZFRMLOYUCUBJZ-OAHLLOKOSA-N -1 0 338.407 3.675 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000238072195 600033062 /nfs/dbraw/zinc/03/30/62/600033062.db2.gz UJDNWGKMGUYVQN-UHFFFAOYSA-N -1 0 337.297 3.975 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)CCc2ccc(C(=O)[O-])cc2)cc1C ZINC000237615666 600037364 /nfs/dbraw/zinc/03/73/64/600037364.db2.gz OTDPPSDITMQYTF-HNNXBMFYSA-N -1 0 325.408 3.812 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CCC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)o1 ZINC000327099877 600042717 /nfs/dbraw/zinc/04/27/17/600042717.db2.gz XGXGGXRHVZMOQY-SJCJKPOMSA-N -1 0 339.391 3.576 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000598670261 600043557 /nfs/dbraw/zinc/04/35/57/600043557.db2.gz UXUJGBAXDWLKKS-ZDUSSCGKSA-N -1 0 341.432 3.549 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)N3Cc4ccc(C(=O)[O-])cc4C3)cc2C1 ZINC000326329945 600045195 /nfs/dbraw/zinc/04/51/95/600045195.db2.gz GNHKHPDOEYICJJ-LLVKDONJSA-N -1 0 341.432 3.727 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1cc3sccc3s1)C2 ZINC000317167251 600045277 /nfs/dbraw/zinc/04/52/77/600045277.db2.gz TYJVTSFIHYZHNZ-UHFFFAOYSA-N -1 0 329.402 3.817 20 0 EHADRM Cc1cc(C(=O)[O-])c2sc(NC(=O)C[C@H](C)CC(C)C)nc2n1 ZINC000738342606 600050356 /nfs/dbraw/zinc/05/03/56/600050356.db2.gz MPZPIZNQHKNZFF-SECBINFHSA-N -1 0 335.429 3.709 20 0 EHADRM O=C([O-])c1ccc(CSc2cc3c(cc2Cl)OCCO3)o1 ZINC000740137427 600056741 /nfs/dbraw/zinc/05/67/41/600056741.db2.gz ZKEZTTSHOOPIHY-UHFFFAOYSA-N -1 0 326.757 3.695 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000167696802 600058742 /nfs/dbraw/zinc/05/87/42/600058742.db2.gz JFPVJJDMBCJCFS-UONOGXRCSA-N -1 0 338.388 3.623 20 0 EHADRM CC(C)[C@@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1F)C(=O)[O-] ZINC000236713279 600058986 /nfs/dbraw/zinc/05/89/86/600058986.db2.gz KSFJCKKGDBKAFN-MRXNPFEDSA-N -1 0 349.789 3.985 20 0 EHADRM CCOC(=O)[C@H](Nc1ccc(F)c(NC(=O)[O-])c1)c1ccccc1 ZINC000737133213 600084624 /nfs/dbraw/zinc/08/46/24/600084624.db2.gz VPFHMIMEBKTCSZ-OAHLLOKOSA-N -1 0 332.331 3.632 20 0 EHADRM O=C([O-])c1cccc(NC(=O)NCC2(Sc3ccccc3)CC2)c1 ZINC000739406932 600086246 /nfs/dbraw/zinc/08/62/46/600086246.db2.gz LCUQLUIYOAQYID-UHFFFAOYSA-N -1 0 342.420 3.831 20 0 EHADRM CC(C)Oc1cccc(CC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000736494612 600086921 /nfs/dbraw/zinc/08/69/21/600086921.db2.gz PAHZQMAAIBKCML-UHFFFAOYSA-N -1 0 346.358 3.884 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC2(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000740110404 600091367 /nfs/dbraw/zinc/09/13/67/600091367.db2.gz KEPBIXJMMLNFMZ-UHFFFAOYSA-N -1 0 349.308 3.823 20 0 EHADRM CSCc1cccc(NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000738197177 600097885 /nfs/dbraw/zinc/09/78/85/600097885.db2.gz ZPDBRRUHFHUISZ-UHFFFAOYSA-N -1 0 344.436 3.912 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)Cc1ccc(OCC(C)C)cc1 ZINC000738964910 600109585 /nfs/dbraw/zinc/10/95/85/600109585.db2.gz YGZXOLJRHMNTQG-UHFFFAOYSA-N -1 0 346.379 3.607 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)c1ccccc1C(F)(F)F ZINC000740078289 600111466 /nfs/dbraw/zinc/11/14/66/600111466.db2.gz QLLBIUGUPKFDLN-UHFFFAOYSA-N -1 0 342.244 3.900 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)c1ccc(F)cc1Cl ZINC000740290541 600111481 /nfs/dbraw/zinc/11/14/81/600111481.db2.gz OKRHAQURQRNTIH-UHFFFAOYSA-N -1 0 326.682 3.673 20 0 EHADRM CSc1ccc(NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000321942895 600111882 /nfs/dbraw/zinc/11/18/82/600111882.db2.gz DBKKYWIQQIBHOU-UHFFFAOYSA-N -1 0 328.393 3.654 20 0 EHADRM Cc1ccc2c(CC(=O)OCc3ccc(F)cc3C(=O)[O-])coc2c1 ZINC000738666024 600111915 /nfs/dbraw/zinc/11/19/15/600111915.db2.gz QBVRXIUCTAABJA-UHFFFAOYSA-N -1 0 342.322 3.864 20 0 EHADRM O=C([O-])c1ccc(-c2noc(-c3ccc(Br)cc3)n2)cc1 ZINC000041721893 600112324 /nfs/dbraw/zinc/11/23/24/600112324.db2.gz ZOVUPPNKGCONSO-UHFFFAOYSA-N -1 0 345.152 3.864 20 0 EHADRM O=C([O-])c1ccc(-c2noc(-c3csc(-c4ccoc4)n3)n2)cc1 ZINC000740098806 600114007 /nfs/dbraw/zinc/11/40/07/600114007.db2.gz DTQOIOVKUYSDOE-UHFFFAOYSA-N -1 0 339.332 3.818 20 0 EHADRM O=C([O-])c1ccc(-c2noc(CCSc3ccc(F)cc3)n2)cc1 ZINC000740101451 600116347 /nfs/dbraw/zinc/11/63/47/600116347.db2.gz MEXDNUGGAPUYFQ-UHFFFAOYSA-N -1 0 344.367 3.909 20 0 EHADRM COc1cccc([C@H]2C[C@H]2C(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)c1 ZINC000738097755 600122395 /nfs/dbraw/zinc/12/23/95/600122395.db2.gz WRPSKVUTKUSNLJ-JBBXEZCESA-N -1 0 340.375 3.801 20 0 EHADRM C[C@@H]1CCCCN1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000736783213 600124963 /nfs/dbraw/zinc/12/49/63/600124963.db2.gz FIMJLZOFSNKEPN-CYBMUJFWSA-N -1 0 336.457 3.801 20 0 EHADRM Cc1cc(NC(=O)CSCc2ccc(Cl)cc2)c(C(=O)[O-])[nH]1 ZINC000317543123 600125184 /nfs/dbraw/zinc/12/51/84/600125184.db2.gz JPBITZBTRFJVPX-UHFFFAOYSA-N -1 0 338.816 3.547 20 0 EHADRM CN(Cc1ccco1)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000737494357 600125247 /nfs/dbraw/zinc/12/52/47/600125247.db2.gz NADGGALMYQBGOW-UHFFFAOYSA-N -1 0 348.424 3.651 20 0 EHADRM CC[C@@](NC(=O)/C=C/c1ccc(Cl)cc1)(C(=O)[O-])c1ccccc1 ZINC000736907111 600132588 /nfs/dbraw/zinc/13/25/88/600132588.db2.gz NYKURUXBFXSTJN-QHSLDKKCSA-N -1 0 343.810 3.860 20 0 EHADRM Cc1ccc(OC(=O)/C=C/c2nc3ccccc3s2)c(C(=O)[O-])c1 ZINC000738638402 600133829 /nfs/dbraw/zinc/13/38/29/600133829.db2.gz GRDRYCSTFWEMNO-CMDGGOBGSA-N -1 0 339.372 3.922 20 0 EHADRM CN(Cc1ccc(F)cc1Cl)Cn1ncc2cc(C(=O)[O-])ccc21 ZINC000737477396 600140337 /nfs/dbraw/zinc/14/03/37/600140337.db2.gz RVATZDWZFNTOFW-UHFFFAOYSA-N -1 0 347.777 3.617 20 0 EHADRM Cn1c2ccccc2nc1[C@H]1CCCCN1Cc1occc1C(=O)[O-] ZINC000739012625 600143054 /nfs/dbraw/zinc/14/30/54/600143054.db2.gz LKSUPTQTGGNDBL-MRXNPFEDSA-N -1 0 339.395 3.592 20 0 EHADRM CC(C)[C@H](CC(=O)OCC(=O)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC000736353044 600143868 /nfs/dbraw/zinc/14/38/68/600143868.db2.gz MOGHKOHRGLZAQD-HNNXBMFYSA-N -1 0 344.363 3.534 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000738125452 600143921 /nfs/dbraw/zinc/14/39/21/600143921.db2.gz CFIFIUXGTCLXBQ-GFCCVEGCSA-N -1 0 345.370 3.740 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)Nc1ccsc1C(=O)[O-] ZINC000738126461 600143967 /nfs/dbraw/zinc/14/39/67/600143967.db2.gz UUFQDVQQKACCHF-LLVKDONJSA-N -1 0 333.409 3.662 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000738126893 600145295 /nfs/dbraw/zinc/14/52/95/600145295.db2.gz YTSUJERYTXYEJN-GFCCVEGCSA-N -1 0 345.370 3.740 20 0 EHADRM CSc1ccsc1C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000738210360 600148141 /nfs/dbraw/zinc/14/81/41/600148141.db2.gz RXQASTSXAUVXNQ-LBPRGKRZSA-N -1 0 335.450 3.806 20 0 EHADRM Cc1cc(CNc2ccnn2[C@@H](C)C2CC2)cc(C)c1OCC(=O)[O-] ZINC000738392650 600156265 /nfs/dbraw/zinc/15/62/65/600156265.db2.gz OUWDJPGGVNAACD-AWEZNQCLSA-N -1 0 343.427 3.546 20 0 EHADRM CCC(CC)(CNC(=O)C(C)(C)NC(=O)[O-])c1ccc(Cl)cc1 ZINC000736894532 600160552 /nfs/dbraw/zinc/16/05/52/600160552.db2.gz QQRXFSBBCDQYJR-UHFFFAOYSA-N -1 0 340.851 3.560 20 0 EHADRM O=C([O-])c1cccc(S(=O)(=O)N(c2ccccc2)C2CCCC2)c1 ZINC000740230737 600162203 /nfs/dbraw/zinc/16/22/03/600162203.db2.gz FJOIAPMTSNTHSG-UHFFFAOYSA-N -1 0 345.420 3.523 20 0 EHADRM CC(C)[C@@H](SCc1ccccc1)C(=O)OCc1cc(C(=O)[O-])co1 ZINC000736392643 600164153 /nfs/dbraw/zinc/16/41/53/600164153.db2.gz VIOZCVGGLUQCEL-MRXNPFEDSA-N -1 0 348.420 3.979 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCSc2ccccc2F)c(F)c1 ZINC000320880752 600167411 /nfs/dbraw/zinc/16/74/11/600167411.db2.gz LOXZFKJZBRTXGG-UHFFFAOYSA-N -1 0 337.347 3.784 20 0 EHADRM CCc1ccccc1NC(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC000737275198 600176426 /nfs/dbraw/zinc/17/64/26/600176426.db2.gz WCPBMUUHPRJZGI-INIZCTEOSA-N -1 0 326.396 3.547 20 0 EHADRM Cc1c(NC(=O)N2CC[C@H](c3ccccc3F)C2)cccc1C(=O)[O-] ZINC000738302703 600177443 /nfs/dbraw/zinc/17/74/43/600177443.db2.gz CHFMYEZRWCCPTB-ZDUSSCGKSA-N -1 0 342.370 3.854 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000736762517 600183597 /nfs/dbraw/zinc/18/35/97/600183597.db2.gz RGCNPUKDJWKBII-IUODEOHRSA-N -1 0 342.370 3.934 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000736762481 600184376 /nfs/dbraw/zinc/18/43/76/600184376.db2.gz KXCCVIHLINNHIU-CKEIUWERSA-N -1 0 340.423 3.519 20 0 EHADRM CCc1cccc(NC(=S)N2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000737270405 600188995 /nfs/dbraw/zinc/18/89/95/600188995.db2.gz ROFWOOMZKGEBTL-OAHLLOKOSA-N -1 0 326.421 3.634 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000237026779 600189300 /nfs/dbraw/zinc/18/93/00/600189300.db2.gz YBPACGIODWMEPI-INIZCTEOSA-N -1 0 329.421 3.572 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000237552891 600189675 /nfs/dbraw/zinc/18/96/75/600189675.db2.gz XMTVZGBCOJICFC-LBPRGKRZSA-N -1 0 342.351 3.734 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@H](C)CSc1ccccc1 ZINC000737858529 600189851 /nfs/dbraw/zinc/18/98/51/600189851.db2.gz NPXZSJCJZQSUOR-GFCCVEGCSA-N -1 0 346.404 3.727 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)OCc1cc(C(=O)[O-])c(C)o1 ZINC000736927183 600191051 /nfs/dbraw/zinc/19/10/51/600191051.db2.gz AACNHIIXTAWUFB-OAHLLOKOSA-N -1 0 334.393 3.900 20 0 EHADRM CC(C)[C@H](OC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000736558001 600193914 /nfs/dbraw/zinc/19/39/14/600193914.db2.gz YNVBPAXQZJUDAV-HZMBPMFUSA-N -1 0 332.318 3.851 20 0 EHADRM CSc1ccc(C)c(C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000738211944 600197006 /nfs/dbraw/zinc/19/70/06/600197006.db2.gz MOBRHNPWEWBSSO-MRXNPFEDSA-N -1 0 329.421 3.615 20 0 EHADRM C/C(=C\C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1)c1cccc(F)c1 ZINC000736119783 600202456 /nfs/dbraw/zinc/20/24/56/600202456.db2.gz BXPNOXVKBKOWAB-SZEUEKNRSA-N -1 0 341.382 3.951 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)CNc2ccccc2Cl)c1 ZINC000739310120 600203482 /nfs/dbraw/zinc/20/34/82/600203482.db2.gz YJVOIXLUHPBVJE-UHFFFAOYSA-N -1 0 339.178 3.742 20 0 EHADRM Cc1ccc(OC(F)F)c([C@H](C)OC(=O)CCCN(C)C(=O)[O-])c1 ZINC000738636828 600203996 /nfs/dbraw/zinc/20/39/96/600203996.db2.gz DQWPPBCVJXVTQW-NSHDSACASA-N -1 0 345.342 3.591 20 0 EHADRM CC(C)(C)CCCC(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000236597932 600204637 /nfs/dbraw/zinc/20/46/37/600204637.db2.gz DHUARTMEXASETC-UHFFFAOYSA-N -1 0 341.398 3.985 20 0 EHADRM O=C([O-])CCOc1ccc(Nc2cnc3cc(F)c(F)cc3n2)cc1 ZINC000739738847 600206521 /nfs/dbraw/zinc/20/65/21/600206521.db2.gz JXIYSTYGWLJCCN-UHFFFAOYSA-N -1 0 345.305 3.505 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)ccc1F ZINC000740081473 600206651 /nfs/dbraw/zinc/20/66/51/600206651.db2.gz PEDFTFLQJFBKQX-NXEZZACHSA-N -1 0 335.281 3.544 20 0 EHADRM Cc1ccc(COc2cccc(NC(=O)CCCNC(=O)[O-])c2)cc1 ZINC000738603884 600206823 /nfs/dbraw/zinc/20/68/23/600206823.db2.gz UGRXTPDFLRTPLW-UHFFFAOYSA-N -1 0 342.395 3.560 20 0 EHADRM CCc1ccc(NC(=O)CNc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000737267298 600207111 /nfs/dbraw/zinc/20/71/11/600207111.db2.gz VPCIMIQFQNWSBQ-UHFFFAOYSA-N -1 0 332.787 3.651 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)C[C@H](C)c2cccc(F)c2)c1 ZINC000737935493 600208314 /nfs/dbraw/zinc/20/83/14/600208314.db2.gz RHPGUPYUVINNSW-NSHDSACASA-N -1 0 331.343 3.665 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(OC3CCCCC3)cc2)cn1 ZINC000604710510 600208510 /nfs/dbraw/zinc/20/85/10/600208510.db2.gz LRFQFKOPOHSQHJ-UHFFFAOYSA-N -1 0 340.379 3.744 20 0 EHADRM Cc1oc(CN(C)C(=O)C[C@@H](C)c2cccc(F)c2)cc1C(=O)[O-] ZINC000262468473 600211440 /nfs/dbraw/zinc/21/14/40/600211440.db2.gz JEXJHLSSMORSMF-LLVKDONJSA-N -1 0 333.359 3.578 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)C[C@H](C)c2cccc(F)c2)C(=O)[O-])cc1 ZINC000486389920 600212262 /nfs/dbraw/zinc/21/22/62/600212262.db2.gz YDJVHIQGIQMNES-KBXCAEBGSA-N -1 0 343.398 3.612 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)CCc2ccc(Cl)s2)c2ccccc21 ZINC000192963048 600218955 /nfs/dbraw/zinc/21/89/55/600218955.db2.gz WTQYQEXGYLFACU-GFCCVEGCSA-N -1 0 335.812 3.549 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)[C@@H](C)C1 ZINC000320694323 600227163 /nfs/dbraw/zinc/22/71/63/600227163.db2.gz ORUKVASHDJPWSF-ZDMBXUJBSA-N -1 0 326.343 3.609 20 0 EHADRM Cc1cc(NC(=O)Nc2cccc(OC(F)F)c2)ccc1C(=O)[O-] ZINC000738444745 600233877 /nfs/dbraw/zinc/23/38/77/600233877.db2.gz WBAJLVRHVPAHQN-UHFFFAOYSA-N -1 0 336.294 3.939 20 0 EHADRM Cc1cc(Cl)ccc1Oc1ccc(COC(=O)CNC(=O)[O-])cc1 ZINC000738397651 600237593 /nfs/dbraw/zinc/23/75/93/600237593.db2.gz WDWGXIGNIPHJJG-UHFFFAOYSA-N -1 0 349.770 3.752 20 0 EHADRM O=C([O-])c1cccc(COC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)c1 ZINC000740221314 600239236 /nfs/dbraw/zinc/23/92/36/600239236.db2.gz OPCGLNLQMXBEGM-STQMWFEESA-N -1 0 332.302 3.510 20 0 EHADRM CC(C)C(C)(C)NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736349806 600241868 /nfs/dbraw/zinc/24/18/68/600241868.db2.gz PVNAOZWYFGEREQ-UHFFFAOYSA-N -1 0 330.331 3.542 20 0 EHADRM CC1(NC(=O)Nc2cccc(CSCC(=O)[O-])c2)CCCCC1 ZINC000736738924 600242032 /nfs/dbraw/zinc/24/20/32/600242032.db2.gz VBHWSMBEKIBMKT-UHFFFAOYSA-N -1 0 336.457 3.849 20 0 EHADRM O=C([O-])c1ccc(-c2noc(-c3cc(Cl)nc(Cl)c3)n2)cc1 ZINC000740100026 600246166 /nfs/dbraw/zinc/24/61/66/600246166.db2.gz NASYHEVXADKGEA-UHFFFAOYSA-N -1 0 336.134 3.804 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000738085328 600248585 /nfs/dbraw/zinc/24/85/85/600248585.db2.gz NONGKEGERVEYEJ-ZJUUUORDSA-N -1 0 346.301 3.668 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)[C@H](C)CSc1ccccc1 ZINC000738085602 600249341 /nfs/dbraw/zinc/24/93/41/600249341.db2.gz QFWZXWHGDUAQAN-GFCCVEGCSA-N -1 0 346.404 3.727 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1csc2ccccc12 ZINC000738088311 600249536 /nfs/dbraw/zinc/24/95/36/600249536.db2.gz HCTDNQKMIVUCKF-UHFFFAOYSA-N -1 0 328.345 3.827 20 0 EHADRM Cc1cc(F)cc2[nH]c(C(=O)Nc3ccc(C(=O)[O-])c(C)c3)cc21 ZINC000237832565 600257029 /nfs/dbraw/zinc/25/70/29/600257029.db2.gz LOPPWXYMQGIIES-UHFFFAOYSA-N -1 0 326.327 3.874 20 0 EHADRM Cc1[nH]c(C(=O)N2CCCCC[C@H]2c2ccco2)c(C)c1C(=O)[O-] ZINC000738159508 600259051 /nfs/dbraw/zinc/25/90/51/600259051.db2.gz LPPLMXLIATZUJZ-ZDUSSCGKSA-N -1 0 330.384 3.680 20 0 EHADRM Cc1[nH]c(C(=O)[C@@H](C)SCc2ccn(C(C)C)n2)c(C)c1C(=O)[O-] ZINC000738234045 600265120 /nfs/dbraw/zinc/26/51/20/600265120.db2.gz DBBVOUDFSAYYNW-GFCCVEGCSA-N -1 0 349.456 3.612 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000740240219 600267552 /nfs/dbraw/zinc/26/75/52/600267552.db2.gz QBPNGKIRZTVOME-CQSZACIVSA-N -1 0 342.370 3.620 20 0 EHADRM CC(C)c1noc([C@@H](C)Sc2nc3ccc(C(=O)[O-])cc3o2)n1 ZINC000736537419 600275385 /nfs/dbraw/zinc/27/53/85/600275385.db2.gz IPEXOBOBRXTLRF-MRVPVSSYSA-N -1 0 333.369 3.886 20 0 EHADRM O=C([O-])c1ccc2nc(SCCOc3ccccc3F)oc2c1 ZINC000740212342 600277080 /nfs/dbraw/zinc/27/70/80/600277080.db2.gz GZCBFBPNJADHTN-UHFFFAOYSA-N -1 0 333.340 3.836 20 0 EHADRM COC(=O)c1ccc2nc(S[C@H](C)c3ccc(C(=O)[O-])o3)oc2c1 ZINC000737710096 600278274 /nfs/dbraw/zinc/27/82/74/600278274.db2.gz WLTGZTZFDDOXSK-MRVPVSSYSA-N -1 0 347.348 3.759 20 0 EHADRM CCCC[C@H](CC)CNC(=S)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736981239 600279202 /nfs/dbraw/zinc/27/92/02/600279202.db2.gz FRXJIQUFXVQZFW-ZDUSSCGKSA-N -1 0 337.489 3.957 20 0 EHADRM CN(Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1)C(=O)[O-] ZINC000737477598 600283615 /nfs/dbraw/zinc/28/36/15/600283615.db2.gz IIFWDQYGTIEIBK-DLBZAZTESA-N -1 0 342.370 3.678 20 0 EHADRM O=C([O-])[C@H](NCc1csc(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000391892878 600284047 /nfs/dbraw/zinc/28/40/47/600284047.db2.gz BBGUCPHQFGVXCP-MRXNPFEDSA-N -1 0 342.395 3.865 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N[C@H]2CCc3cc(F)ccc32)c1 ZINC000739463286 600284113 /nfs/dbraw/zinc/28/41/13/600284113.db2.gz NYDQUSPZGXESTJ-HNNXBMFYSA-N -1 0 348.761 3.986 20 0 EHADRM O=C([O-])c1ccc(NCc2ccccc2)c(OCC(F)(F)F)c1 ZINC000740160593 600284926 /nfs/dbraw/zinc/28/49/26/600284926.db2.gz DCGDWFZQRNJSND-UHFFFAOYSA-N -1 0 325.286 3.938 20 0 EHADRM CN(Cc1ccc(NC(=O)/C=C/c2ccccc2F)cc1)C(=O)[O-] ZINC000737479069 600285760 /nfs/dbraw/zinc/28/57/60/600285760.db2.gz TVTLOTAGRGCCMV-DHZHZOJOSA-N -1 0 328.343 3.587 20 0 EHADRM C[C@H](c1ccncc1)N(C)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000383994809 600286635 /nfs/dbraw/zinc/28/66/35/600286635.db2.gz VIWDGKZMKRVIII-SNVBAGLBSA-N -1 0 333.775 3.658 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)NCCc2ccccc2F)c1 ZINC000322603844 600286759 /nfs/dbraw/zinc/28/67/59/600286759.db2.gz MSKDFRAJMZBVAE-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM CN(Cc1ccc(NC(=O)CCCc2ccccc2)cc1)C(=O)[O-] ZINC000737478838 600287605 /nfs/dbraw/zinc/28/76/05/600287605.db2.gz LYCKWYQJJKPINE-UHFFFAOYSA-N -1 0 326.396 3.758 20 0 EHADRM CN(Cc1ccc(NC(=O)c2cc(Cl)ccc2F)cc1)C(=O)[O-] ZINC000737485368 600288271 /nfs/dbraw/zinc/28/82/71/600288271.db2.gz KOUHOYFFXRRQNY-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM Cc1ccccc1CCC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000738767668 600288567 /nfs/dbraw/zinc/28/85/67/600288567.db2.gz IXORJAKAAVMKCH-UHFFFAOYSA-N -1 0 326.396 3.676 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1 ZINC000739992727 600298272 /nfs/dbraw/zinc/29/82/72/600298272.db2.gz UQXUDFLAOMLZDN-UHFFFAOYSA-N -1 0 340.713 3.638 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(C(=O)Nc1ccc(Cl)c(Cl)c1)CC2 ZINC000405493902 600316403 /nfs/dbraw/zinc/31/64/03/600316403.db2.gz PNKIJXCDKOWXCN-JTQLQIEISA-N -1 0 343.210 3.712 20 0 EHADRM O=C([O-])NCc1ccc(NCC(=O)Nc2cccc3ccccc32)cc1 ZINC000739992829 600316432 /nfs/dbraw/zinc/31/64/32/600316432.db2.gz UDYMSCVBKSXRNK-UHFFFAOYSA-N -1 0 349.390 3.658 20 0 EHADRM COc1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)ccc1C ZINC000737861176 600322207 /nfs/dbraw/zinc/32/22/07/600322207.db2.gz AOUMMVBDPUWFBV-OAHLLOKOSA-N -1 0 334.755 3.640 20 0 EHADRM Cc1ccc(O[C@@H](C)C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000738639371 600324609 /nfs/dbraw/zinc/32/46/09/600324609.db2.gz QUOMRJHFOKSOBN-BLLLJJGKSA-N -1 0 348.782 3.785 20 0 EHADRM Nc1c(Cl)cccc1C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000739202898 600324773 /nfs/dbraw/zinc/32/47/73/600324773.db2.gz BWPVBSBICACIHT-ZDUSSCGKSA-N -1 0 340.162 3.558 20 0 EHADRM C[C@@H](Nc1ccc(CNC(=O)[O-])cc1)c1nc(-c2cccs2)no1 ZINC000736669846 600327876 /nfs/dbraw/zinc/32/78/76/600327876.db2.gz AKCUVOJTMYSZLO-SNVBAGLBSA-N -1 0 344.396 3.739 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405388088 600333214 /nfs/dbraw/zinc/33/32/14/600333214.db2.gz HMCAFZXSXXCCED-HNNXBMFYSA-N -1 0 330.428 3.837 20 0 EHADRM O=C([O-])c1cc(NC(=O)NCC2Cc3ccccc3C2)ccc1Cl ZINC000738498971 600337281 /nfs/dbraw/zinc/33/72/81/600337281.db2.gz WFUOCVQVMSRBLE-UHFFFAOYSA-N -1 0 344.798 3.575 20 0 EHADRM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736823907 600348147 /nfs/dbraw/zinc/34/81/47/600348147.db2.gz FXUFUDAACGXYMQ-PXAZEXFGSA-N -1 0 339.395 3.509 20 0 EHADRM CC(C)[C@@H](NC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccccc1 ZINC000736360711 600357511 /nfs/dbraw/zinc/35/75/11/600357511.db2.gz RLPIDIBBPFCCEW-QGZVFWFLSA-N -1 0 341.411 3.973 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000736618307 600371004 /nfs/dbraw/zinc/37/10/04/600371004.db2.gz NKGARFLYIZAOBS-LBPRGKRZSA-N -1 0 348.395 3.996 20 0 EHADRM Cc1cc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)sc1C(=O)[O-] ZINC000738233987 600372575 /nfs/dbraw/zinc/37/25/75/600372575.db2.gz FRGGZPYYPDSAQM-BDAKNGLRSA-N -1 0 337.347 3.775 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CC/C=C\c1ccccc1)c1cccs1 ZINC000675949707 600373963 /nfs/dbraw/zinc/37/39/63/600373963.db2.gz MUWADLLLTBQXRK-KHSJVXASSA-N -1 0 329.421 3.874 20 0 EHADRM CCC[C@@](C)(NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000236954017 600374725 /nfs/dbraw/zinc/37/47/25/600374725.db2.gz JOQLWJWAPRFPNY-BDJLRTHQSA-N -1 0 345.361 3.959 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)CC/C=C\c2ccccc2)c1 ZINC000532597497 600375023 /nfs/dbraw/zinc/37/50/23/600375023.db2.gz LCWWPRCOABFDFN-WTKPLQERSA-N -1 0 325.364 3.582 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CC/C=C\c1ccccc1 ZINC000531997504 600375384 /nfs/dbraw/zinc/37/53/84/600375384.db2.gz KNAJEGPWUQEAFK-WJBWKJSXSA-N -1 0 327.424 3.724 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000236976133 600377305 /nfs/dbraw/zinc/37/73/05/600377305.db2.gz VPGUMSHMZWZGKX-KUHUBIRLSA-N -1 0 325.408 3.685 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736628542 600378142 /nfs/dbraw/zinc/37/81/42/600378142.db2.gz ZQSDPUAKCDHUSX-SNVBAGLBSA-N -1 0 334.322 3.872 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)Nc1cc(Cl)ccn1)C(=O)[O-] ZINC000736719075 600383835 /nfs/dbraw/zinc/38/38/35/600383835.db2.gz XMRAKZUQJAKCEH-VIFPVBQESA-N -1 0 336.800 3.553 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)CCSc1ccccc1Cl ZINC000050195556 600384359 /nfs/dbraw/zinc/38/43/59/600384359.db2.gz YVVDHUFIKQYBHU-UHFFFAOYSA-N -1 0 329.849 3.582 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1ccnc2ccccc21)c1ccccc1 ZINC000736851254 600384959 /nfs/dbraw/zinc/38/49/59/600384959.db2.gz NTRSUHBBGVATFW-SFHVURJKSA-N -1 0 334.375 3.745 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@H](C)Cc1ccc(F)cc1)c1ccccc1 ZINC000736848042 600388044 /nfs/dbraw/zinc/38/80/44/600388044.db2.gz LOWKNKQARCRWJC-RDTXWAMCSA-N -1 0 343.398 3.901 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1ccc(OC(C)C)cc1)c1ccccc1 ZINC000736851269 600389250 /nfs/dbraw/zinc/38/92/50/600389250.db2.gz NYAYPLGRBOUCRL-GOSISDBHSA-N -1 0 341.407 3.984 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1c(F)cccc1F ZINC000736650095 600390029 /nfs/dbraw/zinc/39/00/29/600390029.db2.gz ZFGMDZLHPYKDPP-MRVPVSSYSA-N -1 0 338.285 3.685 20 0 EHADRM O=C([O-])[C@H](c1cccc(Cl)c1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000739517739 600397146 /nfs/dbraw/zinc/39/71/46/600397146.db2.gz QUTIMHAYNCUULX-SFHVURJKSA-N -1 0 343.810 3.961 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCC[C@@H]2c2cccs2)c(F)c1 ZINC000740145672 600397753 /nfs/dbraw/zinc/39/77/53/600397753.db2.gz DRQWSQFZVGBAKA-CYBMUJFWSA-N -1 0 334.372 3.954 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@@H](c2ccccc2)C2CC2)c(F)c1 ZINC000739466337 600397848 /nfs/dbraw/zinc/39/78/48/600397848.db2.gz CAFCBBUGEWTTSE-INIZCTEOSA-N -1 0 328.343 3.797 20 0 EHADRM O=C([O-])[C@H]1CC12CCN(C(=O)C1(c3cccs3)CCCCC1)CC2 ZINC000262409948 600399611 /nfs/dbraw/zinc/39/96/11/600399611.db2.gz IVLWIDUDFDBQRO-CQSZACIVSA-N -1 0 347.480 3.663 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@@H]2CCc3cc(Cl)ccc32)c(F)c1 ZINC000739467192 600400614 /nfs/dbraw/zinc/40/06/14/600400614.db2.gz NZEZTBGUQSIFCB-CQSZACIVSA-N -1 0 348.761 3.986 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccc(F)c(F)c1 ZINC000736648552 600401228 /nfs/dbraw/zinc/40/12/28/600401228.db2.gz GAPKQUDNURRGHO-MRVPVSSYSA-N -1 0 338.285 3.685 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)Nc2ccc(C(=O)[O-])cc2)s1 ZINC000237764507 600402704 /nfs/dbraw/zinc/40/27/04/600402704.db2.gz VNYDLEIJGKRKCX-UHFFFAOYSA-N -1 0 327.308 3.608 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H](C)CC2CCCC2)cc1 ZINC000675947188 600407915 /nfs/dbraw/zinc/40/79/15/600407915.db2.gz VMMNYTUDQRUGMD-SUMWQHHRSA-N -1 0 333.428 3.544 20 0 EHADRM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000237359330 600411635 /nfs/dbraw/zinc/41/16/35/600411635.db2.gz HUHMRDVPAOCVQK-OLZOCXBDSA-N -1 0 329.421 3.773 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000262672750 600417212 /nfs/dbraw/zinc/41/72/12/600417212.db2.gz XOBJCVMCWUCELL-UHFFFAOYSA-N -1 0 332.227 3.686 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)NC(C)(C)CCC(=O)[O-] ZINC000736893166 600418503 /nfs/dbraw/zinc/41/85/03/600418503.db2.gz YXSHCCMEXHBXJF-BMSUMIBZSA-N -1 0 333.428 3.637 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C[C@@H]1CCc2ccccc2C1)c1cccs1 ZINC000675950823 600425032 /nfs/dbraw/zinc/42/50/32/600425032.db2.gz ZGWKXMFNKVXJNI-CJNGLKHVSA-N -1 0 343.448 3.575 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C[C@H]1CCc2ccccc2C1)c1cccs1 ZINC000675950825 600425264 /nfs/dbraw/zinc/42/52/64/600425264.db2.gz ZGWKXMFNKVXJNI-XJKSGUPXSA-N -1 0 343.448 3.575 20 0 EHADRM CC(C)[C@H](SCc1ccccc1)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC000736389853 600432663 /nfs/dbraw/zinc/43/26/63/600432663.db2.gz FTVOHYOXSJWCGW-INIZCTEOSA-N -1 0 344.436 3.676 20 0 EHADRM Cc1nccn1-c1ccccc1CNc1nc(Cl)c(C(=O)[O-])s1 ZINC000738895059 600433744 /nfs/dbraw/zinc/43/37/44/600433744.db2.gz QHNCYGUYDRCUKW-UHFFFAOYSA-N -1 0 348.815 3.601 20 0 EHADRM O=C([O-])c1cc(NCc2cc(-c3ccccc3)no2)c(F)cc1F ZINC000740089143 600436152 /nfs/dbraw/zinc/43/61/52/600436152.db2.gz RFXKXCUTLHROHI-UHFFFAOYSA-N -1 0 330.290 3.930 20 0 EHADRM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1nc2ccccc2s1 ZINC000736662097 600438693 /nfs/dbraw/zinc/43/86/93/600438693.db2.gz LSENTCGIUIPAFV-MEBBXXQBSA-N -1 0 330.384 3.912 20 0 EHADRM Cc1ccc(OCCCC(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000738642935 600442057 /nfs/dbraw/zinc/44/20/57/600442057.db2.gz HDZJAQIWAPGYCT-GOSISDBHSA-N -1 0 346.354 3.662 20 0 EHADRM Cc1ccc(OCCC(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)c(C)c1 ZINC000738644520 600450547 /nfs/dbraw/zinc/45/05/47/600450547.db2.gz XMEHOYLTOBQMCB-GOSISDBHSA-N -1 0 346.354 3.581 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)[C@@H]2Cc3ccccc3O2)s1 ZINC000736294011 600450648 /nfs/dbraw/zinc/45/06/48/600450648.db2.gz INGMYNATPGHGQQ-ZDUSSCGKSA-N -1 0 345.420 3.686 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736710121 600451771 /nfs/dbraw/zinc/45/17/71/600451771.db2.gz ZXJPHVWPDDSSHK-BLLLJJGKSA-N -1 0 348.395 3.817 20 0 EHADRM COc1ccc(CCCC(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000737992107 600453913 /nfs/dbraw/zinc/45/39/13/600453913.db2.gz HJOUTFSBWAWLDX-SFHVURJKSA-N -1 0 346.354 3.526 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CCc2cccc(F)c2[C@H]1C ZINC000738533786 600455329 /nfs/dbraw/zinc/45/53/29/600455329.db2.gz SUKPOBIFGDHGPQ-GFCCVEGCSA-N -1 0 342.370 3.984 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CCC[C@]3(CC=CCC3)C2)ccc1F ZINC000740089995 600456094 /nfs/dbraw/zinc/45/60/94/600456094.db2.gz IDZGUAWRYGKLLP-GOSISDBHSA-N -1 0 332.375 3.878 20 0 EHADRM C[C@H](CC(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1)c1cccc(F)c1 ZINC000736555126 600457144 /nfs/dbraw/zinc/45/71/44/600457144.db2.gz BHIVCIVPCFLIBG-DIFFPNOSSA-N -1 0 334.318 3.828 20 0 EHADRM CCCC[C@@H]1CCC[C@@H]1NC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736985223 600458981 /nfs/dbraw/zinc/45/89/81/600458981.db2.gz MVHKNZWNHGZQSZ-WBVHZDCISA-N -1 0 347.459 3.977 20 0 EHADRM O=C(/C=C\C1CCOCC1)OCc1c2ccccc2sc1C(=O)[O-] ZINC000739216554 600466780 /nfs/dbraw/zinc/46/67/80/600466780.db2.gz UDAWJQJWPDEGFE-WAYWQWQTSA-N -1 0 346.404 3.626 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736625879 600467677 /nfs/dbraw/zinc/46/76/77/600467677.db2.gz IYIURSBDZICYHG-BDJLRTHQSA-N -1 0 334.318 3.513 20 0 EHADRM CC(C)[C@H](OC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000736622665 600468585 /nfs/dbraw/zinc/46/85/85/600468585.db2.gz UIYRXJNGQJFIRC-MFKMUULPSA-N -1 0 332.318 3.536 20 0 EHADRM O=C([O-])CCCCCCNC(=O)NC1(c2ccc(Cl)cc2)CC1 ZINC000739666273 600471590 /nfs/dbraw/zinc/47/15/90/600471590.db2.gz LYZYQLYZZUDEBH-UHFFFAOYSA-N -1 0 338.835 3.663 20 0 EHADRM CCc1cccc(NC(=O)NCCc2ccc(NC(=O)[O-])cc2)c1 ZINC000737269987 600472169 /nfs/dbraw/zinc/47/21/69/600472169.db2.gz MRSDRAZHTFADIR-UHFFFAOYSA-N -1 0 327.384 3.703 20 0 EHADRM O=C([O-])c1cccc(CS[C@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000740224900 600473135 /nfs/dbraw/zinc/47/31/35/600473135.db2.gz GBHZBWBCEYWNCD-INIZCTEOSA-N -1 0 345.395 3.563 20 0 EHADRM Cc1ccc(C)c(OCC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000237650324 600477131 /nfs/dbraw/zinc/47/71/31/600477131.db2.gz SFASVQDQWHYOQC-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000736902659 600477391 /nfs/dbraw/zinc/47/73/91/600477391.db2.gz ARHRREHAHDKCGF-LJQANCHMSA-N -1 0 339.435 3.759 20 0 EHADRM COc1ccc(/C=C\C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000206603057 600477597 /nfs/dbraw/zinc/47/75/97/600477597.db2.gz PLJIZSXIMNTHRS-WTKPLQERSA-N -1 0 331.755 3.699 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)o1 ZINC000345907521 600477664 /nfs/dbraw/zinc/47/76/64/600477664.db2.gz OSFAXASIJKBCFG-SJORKVTESA-N -1 0 335.359 3.551 20 0 EHADRM CCOc1cc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)ccc1C ZINC000236897898 600480983 /nfs/dbraw/zinc/48/09/83/600480983.db2.gz UTNUUQZWGJCFPU-UHFFFAOYSA-N -1 0 333.771 3.998 20 0 EHADRM Cc1cc(C)cc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c1 ZINC000237831145 600481364 /nfs/dbraw/zinc/48/13/64/600481364.db2.gz CIHRJJOLJWXINU-UHFFFAOYSA-N -1 0 327.380 3.799 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C[C@@H](C)C(=O)c1ccccc1 ZINC000738525663 600489249 /nfs/dbraw/zinc/48/92/49/600489249.db2.gz MZNCKZLVKSBYRR-CYBMUJFWSA-N -1 0 325.364 3.541 20 0 EHADRM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)c1ccc(C(=O)[O-])nc1 ZINC000351965337 600496333 /nfs/dbraw/zinc/49/63/33/600496333.db2.gz TWUVRNGMVRJPCN-QGZVFWFLSA-N -1 0 326.396 3.558 20 0 EHADRM Cc1ccc(NC(=O)c2ccccc2NC(=O)[O-])cc1OC(F)F ZINC000738629143 600502764 /nfs/dbraw/zinc/50/27/64/600502764.db2.gz ZZGBTNIEOHUSDD-UHFFFAOYSA-N -1 0 336.294 3.939 20 0 EHADRM CC(C)c1noc([C@H](C)Nc2ccc(OCCCC(=O)[O-])cc2)n1 ZINC000736537367 600503943 /nfs/dbraw/zinc/50/39/43/600503943.db2.gz FSRQCSPERCYXTG-LBPRGKRZSA-N -1 0 333.388 3.610 20 0 EHADRM Cc1cc(NC(=O)NC[C@H]2CCCO[C@H]2C(C)(C)C)ccc1C(=O)[O-] ZINC000738439317 600505847 /nfs/dbraw/zinc/50/58/47/600505847.db2.gz CXMNMBVZWYTANO-CZUORRHYSA-N -1 0 348.443 3.656 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)c1cccc(O)c1 ZINC000736648669 600511178 /nfs/dbraw/zinc/51/11/78/600511178.db2.gz HXZSBQWWQYZCHO-VIFPVBQESA-N -1 0 334.759 3.627 20 0 EHADRM CC(C)CO[C@H]1C[C@H](OC(=O)c2cccc(NC(=O)[O-])c2)C1(C)C ZINC000736445153 600511465 /nfs/dbraw/zinc/51/14/65/600511465.db2.gz YRVJTZNYAOILNY-GJZGRUSLSA-N -1 0 335.400 3.773 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000325035882 600521334 /nfs/dbraw/zinc/52/13/34/600521334.db2.gz KTCWLHYAKMXHQG-INIZCTEOSA-N -1 0 327.380 3.708 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000236706876 600523760 /nfs/dbraw/zinc/52/37/60/600523760.db2.gz FBZRXVZZFWSSEV-SFHVURJKSA-N -1 0 341.407 3.603 20 0 EHADRM CCc1cc2c(ncnc2Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)s1 ZINC000326938284 600523906 /nfs/dbraw/zinc/52/39/06/600523906.db2.gz ZPNDWKUHCXSVHZ-UHFFFAOYSA-N -1 0 345.336 3.652 20 0 EHADRM O=C([O-])c1ccc(CNCc2ccc(Cl)c(C(F)(F)F)c2)o1 ZINC000740132340 600525030 /nfs/dbraw/zinc/52/50/30/600525030.db2.gz KXJIAJHLOFNYPH-UHFFFAOYSA-N -1 0 333.693 3.940 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000736357872 600527155 /nfs/dbraw/zinc/52/71/55/600527155.db2.gz CXZBCWIENDRYMN-QZTJIDSGSA-N -1 0 337.419 3.716 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)NC1C[C@H](C)C[C@@H](C)C1)C(=O)[O-] ZINC000630292729 600530292 /nfs/dbraw/zinc/53/02/92/600530292.db2.gz FBFWZMLEPOBEHG-JHJVBQTASA-N -1 0 335.469 3.806 20 0 EHADRM COc1ccccc1CC(C)(C)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000738124563 600533448 /nfs/dbraw/zinc/53/34/48/600533448.db2.gz RRIVSKRPZCJDQO-UHFFFAOYSA-N -1 0 333.409 3.662 20 0 EHADRM COc1cccc(C[C@@H](C)NC(=O)Nc2cccc(NC(=O)[O-])c2)c1 ZINC000738094129 600547418 /nfs/dbraw/zinc/54/74/18/600547418.db2.gz DURSWMVXBPZIBN-GFCCVEGCSA-N -1 0 343.383 3.538 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)Oc1ccc(Cl)cc1C(=O)[O-] ZINC000736927275 600554151 /nfs/dbraw/zinc/55/41/51/600554151.db2.gz CVAFJYNPCMHWMQ-ZDUSSCGKSA-N -1 0 326.776 3.681 20 0 EHADRM CCCc1ccc([C@@H](NC(=O)N2CCC(C(=O)[O-])CC2)C(C)C)cc1 ZINC000263293061 600559005 /nfs/dbraw/zinc/55/90/05/600559005.db2.gz VPWHSYXADOYWAM-SFHVURJKSA-N -1 0 346.471 3.842 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000262502372 600559931 /nfs/dbraw/zinc/55/99/31/600559931.db2.gz ZHJQCGQGPZBPSM-UHFFFAOYSA-N -1 0 332.227 3.638 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000236766539 600563573 /nfs/dbraw/zinc/56/35/73/600563573.db2.gz FDJOEZMRBLHYNQ-UHFFFAOYSA-N -1 0 335.400 3.880 20 0 EHADRM CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)S[C@H](C)CC(=O)[O-] ZINC000736196901 600583635 /nfs/dbraw/zinc/58/36/35/600583635.db2.gz RCNPYVDPWXYMKZ-KOLCDFICSA-N -1 0 349.408 3.559 20 0 EHADRM C[C@H](CC(=O)[O-])SCC(=O)Nc1ccc(SC(F)F)cc1 ZINC000736552709 600585126 /nfs/dbraw/zinc/58/51/26/600585126.db2.gz QCBYVIUQNFBUAF-MRVPVSSYSA-N -1 0 335.397 3.536 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)Cc2cc(-c3ccccc3)on2)c1 ZINC000740043466 600585271 /nfs/dbraw/zinc/58/52/71/600585271.db2.gz SQUDDUJEEHBQJH-UHFFFAOYSA-N -1 0 337.335 3.613 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1cc2occc2s1)C(=O)[O-] ZINC000736582461 600585640 /nfs/dbraw/zinc/58/56/40/600585640.db2.gz IASBUWOJHQSHKG-LBPRGKRZSA-N -1 0 343.404 3.857 20 0 EHADRM Cc1cn(-c2ccccc2)nc1NC(=O)c1ccccc1NC(=O)[O-] ZINC000738798887 600589851 /nfs/dbraw/zinc/58/98/51/600589851.db2.gz RPPIWKZSNKBKFI-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM CN(Cc1ccc(F)cc1Cl)C(=O)c1ccccc1NC(=O)[O-] ZINC000737477824 600589892 /nfs/dbraw/zinc/58/98/92/600589892.db2.gz VGGXHVFFACFILH-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM CCOC(=O)Nc1ccc(OC(=O)c2ccccc2NC(=O)[O-])cc1 ZINC000737147319 600589920 /nfs/dbraw/zinc/58/99/20/600589920.db2.gz TVUVFCKTUSZJGO-UHFFFAOYSA-N -1 0 344.323 3.564 20 0 EHADRM C[C@H](CC(=O)[O-])SCCC(=O)Nc1c(Cl)cccc1Cl ZINC000090097672 600590982 /nfs/dbraw/zinc/59/09/82/600590982.db2.gz FYHDWJGMDWJCPV-MRVPVSSYSA-N -1 0 336.240 3.918 20 0 EHADRM C[C@H](CC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1 ZINC000736544417 600591172 /nfs/dbraw/zinc/59/11/72/600591172.db2.gz GNGQBMLTNKCKBR-ACJLOTCBSA-N -1 0 329.371 3.604 20 0 EHADRM C[C@@H](CC(=O)[O-])SCC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000736551178 600591891 /nfs/dbraw/zinc/59/18/91/600591891.db2.gz ARPQBWDRCZPPFZ-WPCRTTGESA-N -1 0 341.281 3.697 20 0 EHADRM CN(C(=O)CCSc1ccc(F)cc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737318464 600592418 /nfs/dbraw/zinc/59/24/18/600592418.db2.gz DUOAAVPXFSDHON-QGZVFWFLSA-N -1 0 347.411 3.592 20 0 EHADRM C[C@@H](CN(C)C(=O)C1(c2ccc(Cl)cc2)CCCCC1)C(=O)[O-] ZINC000736571335 600595159 /nfs/dbraw/zinc/59/51/59/600595159.db2.gz KWJUPHCNDZUGGM-ZDUSSCGKSA-N -1 0 337.847 3.721 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000738756198 600595200 /nfs/dbraw/zinc/59/52/00/600595200.db2.gz IJSAFFRFIZXENP-DNVCBOLYSA-N -1 0 325.408 3.773 20 0 EHADRM CN(C(=O)c1csc2ccccc12)[C@H](C(=O)[O-])c1ccccc1 ZINC000737348406 600595548 /nfs/dbraw/zinc/59/55/48/600595548.db2.gz NZIZBOXUZRNBHG-INIZCTEOSA-N -1 0 325.389 3.799 20 0 EHADRM CN(C(=O)CSc1ccc(Cl)cc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737324758 600597350 /nfs/dbraw/zinc/59/73/50/600597350.db2.gz DMVZYQOFTJJQQF-MRXNPFEDSA-N -1 0 349.839 3.716 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000736618075 600597859 /nfs/dbraw/zinc/59/78/59/600597859.db2.gz LWRHHWDSTWONNG-WMLDXEAASA-N -1 0 343.448 3.699 20 0 EHADRM C/C(=C\C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-])C1CC1 ZINC000736122291 600598564 /nfs/dbraw/zinc/59/85/64/600598564.db2.gz ZCHAKYLRTVKKCO-GPZRYRNASA-N -1 0 337.419 3.556 20 0 EHADRM CC(C)COc1ccc(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000736445840 600598644 /nfs/dbraw/zinc/59/86/44/600598644.db2.gz NPEHBFKZBQBBSW-SFHVURJKSA-N -1 0 341.407 3.619 20 0 EHADRM O=C([O-])[C@H](CNC(=O)[C@@H]1CC=CCC1)Cc1cccc2ccccc21 ZINC000262848953 600600300 /nfs/dbraw/zinc/60/03/00/600600300.db2.gz UXWQHZJBACPPMM-AEFFLSMTSA-N -1 0 337.419 3.556 20 0 EHADRM CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000736928870 600601005 /nfs/dbraw/zinc/60/10/05/600601005.db2.gz GWWXYGNQJBONRT-INIZCTEOSA-N -1 0 327.384 3.785 20 0 EHADRM CC(C)c1ccc(OCCC(=O)N(CC(=O)[O-])c2ccccc2)cc1 ZINC000736515886 600603028 /nfs/dbraw/zinc/60/30/28/600603028.db2.gz XISYILWRYFIXKG-UHFFFAOYSA-N -1 0 341.407 3.697 20 0 EHADRM C[C@@H](CSCCC(=O)Nc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000086109276 600603916 /nfs/dbraw/zinc/60/39/16/600603916.db2.gz QGTAPTMIXHFBNO-QMMMGPOBSA-N -1 0 336.240 3.776 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N(CC(=O)[O-])c1ccccc1 ZINC000324356584 600604883 /nfs/dbraw/zinc/60/48/83/600604883.db2.gz GRMGCVCCSXDYAT-UHFFFAOYSA-N -1 0 327.311 3.612 20 0 EHADRM CCCCOc1ccc(C(=O)N(CC(=O)[O-])c2ccccc2)cc1 ZINC000336875792 600604917 /nfs/dbraw/zinc/60/49/17/600604917.db2.gz LXGIEDTWXLTJEF-UHFFFAOYSA-N -1 0 327.380 3.597 20 0 EHADRM C[C@@H](SC[C@@H](C)C(=O)[O-])C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000736615143 600605100 /nfs/dbraw/zinc/60/51/00/600605100.db2.gz FZMWNAFOAQKTQV-HZSPNIEDSA-N -1 0 349.496 3.585 20 0 EHADRM CC/C=C(\C)C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000736947825 600606059 /nfs/dbraw/zinc/60/60/59/600606059.db2.gz FGQGBDDUHUBDEO-KRPRSCCNSA-N -1 0 325.408 3.556 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccccc2N2CCCCC2)ccc1F ZINC000740087710 600616777 /nfs/dbraw/zinc/61/67/77/600616777.db2.gz GSKHWYWEGYKCQO-UHFFFAOYSA-N -1 0 342.370 3.767 20 0 EHADRM CCOc1cc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)ccc1C ZINC000139472067 600617873 /nfs/dbraw/zinc/61/78/73/600617873.db2.gz DHHLYISMFZGKKJ-QGZVFWFLSA-N -1 0 341.407 3.730 20 0 EHADRM Cc1cc(COC(=O)Cc2c[nH]c3ccc(Cl)cc23)oc1C(=O)[O-] ZINC000738391381 600619425 /nfs/dbraw/zinc/61/94/25/600619425.db2.gz BFXULCZVUJERGR-UHFFFAOYSA-N -1 0 347.754 3.707 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)C(F)(F)c2ccccc2)c1 ZINC000740073971 600623809 /nfs/dbraw/zinc/62/38/09/600623809.db2.gz BMVFTWSZIUUPDW-UHFFFAOYSA-N -1 0 325.698 3.769 20 0 EHADRM CCn1cc(C(=O)Oc2cc(OC)ccc2C(=O)[O-])c2ccccc21 ZINC000737301863 600631140 /nfs/dbraw/zinc/63/11/40/600631140.db2.gz FDCPEDYKZVQBPR-UHFFFAOYSA-N -1 0 339.347 3.587 20 0 EHADRM CCN(C(=O)[C@@H](C)c1cccc(OC)c1)c1ccccc1C(=O)[O-] ZINC000737049114 600646860 /nfs/dbraw/zinc/64/68/60/600646860.db2.gz BZUDWPMQIATCRR-ZDUSSCGKSA-N -1 0 327.380 3.550 20 0 EHADRM Cc1oc(CN(C)C(=O)NCC[C@@H]2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC000738967912 600647930 /nfs/dbraw/zinc/64/79/30/600647930.db2.gz SWHOQNJVYDDLJF-OCCSQVGLSA-N -1 0 336.432 3.644 20 0 EHADRM CC(C)(C)[C@H](NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC000179963947 600657459 /nfs/dbraw/zinc/65/74/59/600657459.db2.gz KZXVJDOTIBFSRB-OFQRWUPVSA-N -1 0 335.419 3.920 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2nc3c(s2)CCCCCC3)C1 ZINC000739573427 600660433 /nfs/dbraw/zinc/66/04/33/600660433.db2.gz BXMAABIRANJYHB-VXGBXAGGSA-N -1 0 336.457 3.632 20 0 EHADRM CCCN(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)[C@@H]1CCc2ccccc2C1 ZINC000499196895 600660855 /nfs/dbraw/zinc/66/08/55/600660855.db2.gz SJQGSQBZHQAJPI-GUDVDZBRSA-N -1 0 343.467 3.674 20 0 EHADRM CSc1ccc(O[C@H](C)C(=O)Nc2ccc(C)cc2C(=O)[O-])cc1 ZINC000541588961 600661514 /nfs/dbraw/zinc/66/15/14/600661514.db2.gz QCMZLIJDQAMXMM-GFCCVEGCSA-N -1 0 345.420 3.821 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000245711783 600661795 /nfs/dbraw/zinc/66/17/95/600661795.db2.gz NIYGJPMCRCTECW-BZUAXINKSA-N -1 0 331.456 3.750 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCCC[C@@H]2Cc2ccccc2)C1 ZINC000262532943 600664354 /nfs/dbraw/zinc/66/43/54/600664354.db2.gz ITNAEBXDVVJYTA-KZNAEPCWSA-N -1 0 329.440 3.501 20 0 EHADRM CCOc1ccc2nc(NC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)sc2c1 ZINC000391545603 600664853 /nfs/dbraw/zinc/66/48/53/600664853.db2.gz DGPJFOSICOAGSV-GHMZBOCLSA-N -1 0 348.424 3.525 20 0 EHADRM O=C([O-])[C@@H](OC(=O)C[C@H]1CCc2ccccc2C1)c1ccccc1F ZINC000833097546 600668397 /nfs/dbraw/zinc/66/83/97/600668397.db2.gz OKBBZXRJGIJTIC-DJJJIMSYSA-N -1 0 342.366 3.690 20 0 EHADRM O=C([O-])[C@H](OC(=O)C[C@H]1CCc2ccccc2C1)c1ccccc1F ZINC000833097547 600668621 /nfs/dbraw/zinc/66/86/21/600668621.db2.gz OKBBZXRJGIJTIC-ORAYPTAESA-N -1 0 342.366 3.690 20 0 EHADRM O=C([O-])[C@H](OC(=O)C[C@@H]1CCc2ccccc21)c1ccccc1F ZINC000833097155 600677872 /nfs/dbraw/zinc/67/78/72/600677872.db2.gz HKASFARPAOOHMA-SCLBCKFNSA-N -1 0 328.339 3.615 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NCc2nc(-c3ccccc3)no2)cc1 ZINC000736233380 600679503 /nfs/dbraw/zinc/67/95/03/600679503.db2.gz ZJMROAMYNJMHEK-UHFFFAOYSA-N -1 0 337.379 3.711 20 0 EHADRM CCSCc1ccc(C(=O)Oc2ccccc2CC(=O)[O-])cc1 ZINC000737231845 600685710 /nfs/dbraw/zinc/68/57/10/600685710.db2.gz VMVYQHQGYYFPFA-UHFFFAOYSA-N -1 0 330.405 3.786 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)c1 ZINC000740028973 600690300 /nfs/dbraw/zinc/69/03/00/600690300.db2.gz MJNJEZLJXZJPNS-BXUZGUMPSA-N -1 0 348.761 3.855 20 0 EHADRM CC(C)C[C@H]1CCCCCN1C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000659759718 600691222 /nfs/dbraw/zinc/69/12/22/600691222.db2.gz URDUNFMQNBPJBT-MRXNPFEDSA-N -1 0 333.428 3.581 20 0 EHADRM O=C([O-])c1cccc(-c2noc(COc3ccc(F)cc3Cl)n2)c1 ZINC000833327553 600697150 /nfs/dbraw/zinc/69/71/50/600697150.db2.gz BXGREEZNQOFMOQ-UHFFFAOYSA-N -1 0 348.717 3.806 20 0 EHADRM Cc1c(-c2nc(-c3cccc(C(=O)[O-])c3)no2)oc2c1C(=O)CCC2 ZINC000832848747 600700025 /nfs/dbraw/zinc/70/00/25/600700025.db2.gz MBAPUFBJIIHADK-UHFFFAOYSA-N -1 0 338.319 3.522 20 0 EHADRM C[C@@H](C(=O)O[C@@H](C(=O)[O-])c1ccccc1F)c1cccc(Cl)c1 ZINC000826064428 600701160 /nfs/dbraw/zinc/70/11/60/600701160.db2.gz JXYLHAACGSTPOR-MEBBXXQBSA-N -1 0 336.746 3.952 20 0 EHADRM O=C([O-])[C@@H](OC(=O)[C@@H]1CCSc2ccccc21)c1ccc(F)cc1 ZINC000833349936 600710676 /nfs/dbraw/zinc/71/06/76/600710676.db2.gz HCYJMHYAXNRRJX-ZBFHGGJFSA-N -1 0 346.379 3.774 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@H]2CCSc3ccccc32)cc1 ZINC000833316188 600710683 /nfs/dbraw/zinc/71/06/83/600710683.db2.gz UFKPYOZAMMNBMC-HNNXBMFYSA-N -1 0 328.389 3.708 20 0 EHADRM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC000659767947 600720708 /nfs/dbraw/zinc/72/07/08/600720708.db2.gz RDDKYXMVUFBYLR-CYBMUJFWSA-N -1 0 341.411 3.797 20 0 EHADRM O=C([O-])c1cccc(-c2nc(COC(=O)CC3CCC3)cs2)c1 ZINC000833094610 600722360 /nfs/dbraw/zinc/72/23/60/600722360.db2.gz XQGUXESWGBVLFS-UHFFFAOYSA-N -1 0 331.393 3.742 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cccc(-c3cscn3)c2)cc1 ZINC000833314849 600724028 /nfs/dbraw/zinc/72/40/28/600724028.db2.gz ACMCNSXAPAGGSF-UHFFFAOYSA-N -1 0 339.372 3.865 20 0 EHADRM CCCn1c(SC/C=C(\C)C(=O)[O-])nnc1-c1cccc(C)c1 ZINC000829580544 600726471 /nfs/dbraw/zinc/72/64/71/600726471.db2.gz YWBXPSKYALNIFD-MDWZMJQESA-N -1 0 331.441 3.787 20 0 EHADRM CCO[C@H]1C[C@H](N(C)C(=O)Nc2cccc(C(=O)[O-])c2)C12CCCC2 ZINC000737156089 600728317 /nfs/dbraw/zinc/72/83/17/600728317.db2.gz CCVBLZKPYMWUGP-HOTGVXAUSA-N -1 0 346.427 3.586 20 0 EHADRM O=C([O-])[C@@H](Nc1cccc(OC[C@H]2CCCO2)c1)c1ccccc1F ZINC000833169630 600737427 /nfs/dbraw/zinc/73/74/27/600737427.db2.gz LGNHXLRAILLKJS-QAPCUYQASA-N -1 0 345.370 3.621 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000833025670 600738091 /nfs/dbraw/zinc/73/80/91/600738091.db2.gz QJFKQTGQIFGIGM-UZLBHIALSA-N -1 0 340.375 3.624 20 0 EHADRM CC(C)C[C@@H](C(=O)OCC(=O)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC000736402037 600738706 /nfs/dbraw/zinc/73/87/06/600738706.db2.gz NWTUPCOYLXPFKD-OAHLLOKOSA-N -1 0 344.363 3.534 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Nc2ccc(F)cc2OCC2CC2)cc1 ZINC000739467412 600743523 /nfs/dbraw/zinc/74/35/23/600743523.db2.gz TWLRAGNECMKYPU-UHFFFAOYSA-N -1 0 344.342 3.957 20 0 EHADRM CC[C@@H](NC(=O)NCc1ccc(C(=O)[O-])o1)C(C)(C)c1ccccc1 ZINC000828951257 600750939 /nfs/dbraw/zinc/75/09/39/600750939.db2.gz HQYJFTSNTRGZHH-MRXNPFEDSA-N -1 0 344.411 3.533 20 0 EHADRM CC(C)C[C@@H](NC(=O)N1CC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000263226098 600752368 /nfs/dbraw/zinc/75/23/68/600752368.db2.gz LTCPIMKOABAPKD-DZGCQCFKSA-N -1 0 338.835 3.543 20 0 EHADRM Cc1ccc(F)c(OCC(=O)Nc2cc(C(=O)[O-])ccc2Cl)c1 ZINC000738604416 600765126 /nfs/dbraw/zinc/76/51/26/600765126.db2.gz RTSODWSOMCCTSY-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM CCCn1ccc2ccc(NC(=O)[C@@H](CC(C)C)NC(=O)[O-])cc21 ZINC000829585267 600765428 /nfs/dbraw/zinc/76/54/28/600765428.db2.gz JUJSCAJPNHFNFD-OAHLLOKOSA-N -1 0 331.416 3.672 20 0 EHADRM CCC[C@@H](CCc1ccccc1)NC(=O)NCc1ccc(C(=O)[O-])o1 ZINC000829223086 600771359 /nfs/dbraw/zinc/77/13/59/600771359.db2.gz LALJTUAZLHCHNE-HNNXBMFYSA-N -1 0 344.411 3.579 20 0 EHADRM CCC[C@H](C)c1cc(NC(=O)CCc2ccc(C(=O)[O-])cc2)n[nH]1 ZINC000829216625 600773374 /nfs/dbraw/zinc/77/33/74/600773374.db2.gz PXASGPRUSMEBKK-LBPRGKRZSA-N -1 0 329.400 3.583 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@H]2C[C@]23CCc2ccccc23)cc1 ZINC000263239398 600775982 /nfs/dbraw/zinc/77/59/82/600775982.db2.gz DQOBTDZPAFWBMV-GCJKJVERSA-N -1 0 349.430 3.891 20 0 EHADRM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000832856966 600776121 /nfs/dbraw/zinc/77/61/21/600776121.db2.gz WVFUIRARLMPRQA-HOTGVXAUSA-N -1 0 348.487 3.928 20 0 EHADRM C[C@H](CC(=O)NC(C)(C)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000736541809 600780013 /nfs/dbraw/zinc/78/00/13/600780013.db2.gz OCQWATNHWNOZDV-SNVBAGLBSA-N -1 0 331.334 3.569 20 0 EHADRM CC(=O)c1cccc(OCCOc2ccc(C(=O)[O-])cc2Cl)c1 ZINC000825964401 600800164 /nfs/dbraw/zinc/80/01/64/600800164.db2.gz PYDDIGJDNKWINI-UHFFFAOYSA-N -1 0 334.755 3.699 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)/C=C\c1ccccc1F)c1cccc(Cl)c1 ZINC000776675133 600800467 /nfs/dbraw/zinc/80/04/67/600800467.db2.gz PPWNXCAKWYPFAZ-HLRDLLSLSA-N -1 0 347.773 3.825 20 0 EHADRM Cc1cccc([C@H](C)CNC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000738690436 600802393 /nfs/dbraw/zinc/80/23/93/600802393.db2.gz JRDIFQMUSHIITI-CQSZACIVSA-N -1 0 338.407 3.522 20 0 EHADRM COc1ccc2cc([C@@H](C)OC(=O)CCSCC(=O)[O-])ccc2c1 ZINC000832504765 600802776 /nfs/dbraw/zinc/80/27/76/600802776.db2.gz WUDAHSDWJGITCB-GFCCVEGCSA-N -1 0 348.420 3.661 20 0 EHADRM C[C@@H]1CCN(C(=O)CCc2ccc(C(=O)[O-])cc2)[C@H](c2ccco2)C1 ZINC000237528980 600808899 /nfs/dbraw/zinc/80/88/99/600808899.db2.gz OUDIXIXUZMNGSX-PBHICJAKSA-N -1 0 341.407 3.910 20 0 EHADRM C[C@@H](CCOc1ccccc1)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000827417503 600817916 /nfs/dbraw/zinc/81/79/16/600817916.db2.gz KRGAVGSDSSRLRP-NSHDSACASA-N -1 0 349.333 3.707 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000120225172 600823369 /nfs/dbraw/zinc/82/33/69/600823369.db2.gz JMSQIVNRRVDWQU-OLZOCXBDSA-N -1 0 331.318 3.714 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N3CCC4(CCCC4)C3)c12 ZINC000833001802 600826144 /nfs/dbraw/zinc/82/61/44/600826144.db2.gz XNEXBANXDFCMBQ-UHFFFAOYSA-N -1 0 331.441 3.777 20 0 EHADRM Cc1cccc(NCC(=O)Nc2cc(C(=O)[O-])ccc2C)c1Cl ZINC000832916808 600827890 /nfs/dbraw/zinc/82/78/90/600827890.db2.gz OBCVABKBFLFTAD-UHFFFAOYSA-N -1 0 332.787 3.706 20 0 EHADRM Cc1ccc(C)c([C@@H]2CN(Cc3ccc(C(=O)[O-])o3)[C@H](C)CO2)c1 ZINC000579848101 600835676 /nfs/dbraw/zinc/83/56/76/600835676.db2.gz MQNQVIRDMYFHPV-KDOFPFPSSA-N -1 0 329.396 3.557 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)[C@H]1C[C@H]1C1CCCCC1)c1ccccc1 ZINC000362331026 600840086 /nfs/dbraw/zinc/84/00/86/600840086.db2.gz XOHBLOZNDCOWFM-BZSNNMDCSA-N -1 0 329.440 3.925 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000740066612 600840441 /nfs/dbraw/zinc/84/04/41/600840441.db2.gz UUOBDKZCQQHDKJ-ZJUUUORDSA-N -1 0 335.281 3.544 20 0 EHADRM CC(C)Cc1csc2[nH]c(-c3cccc(C(=O)[O-])c3)nc(=O)c12 ZINC000046703308 600845359 /nfs/dbraw/zinc/84/53/59/600845359.db2.gz QDSAZXHQWVXMBA-UHFFFAOYSA-N -1 0 328.393 3.548 20 0 EHADRM Cc1ccc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cc1Cl ZINC000322352640 600847442 /nfs/dbraw/zinc/84/74/42/600847442.db2.gz UVPRAYRCHORNBZ-CYBMUJFWSA-N -1 0 329.783 3.867 20 0 EHADRM C[C@H](C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21)c1ccccc1F ZINC000736200432 600850384 /nfs/dbraw/zinc/85/03/84/600850384.db2.gz QTVYVRFKLMHXBM-STQMWFEESA-N -1 0 327.355 3.534 20 0 EHADRM Cc1oc(CN(C)C(=O)c2cc3cc(C)c(C)cc3o2)cc1C(=O)[O-] ZINC000262555705 600851513 /nfs/dbraw/zinc/85/15/13/600851513.db2.gz YDICFGLQHWFECN-UHFFFAOYSA-N -1 0 341.363 3.921 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000767096292 600851581 /nfs/dbraw/zinc/85/15/81/600851581.db2.gz QRWHQILTYYXEDC-NSHDSACASA-N -1 0 333.334 3.870 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)c2ccc(Cl)cc2F)c2ccccc21 ZINC000390841026 600860403 /nfs/dbraw/zinc/86/04/03/600860403.db2.gz AZYOIJPHLSTCKJ-SNVBAGLBSA-N -1 0 333.746 3.698 20 0 EHADRM CC[C@H](NC(=O)c1cccc(C(=O)[O-])c1)C(C)(C)c1ccccc1 ZINC000736917632 600864008 /nfs/dbraw/zinc/86/40/08/600864008.db2.gz UPGXBQJUONGYTH-KRWDZBQOSA-N -1 0 325.408 3.871 20 0 EHADRM CC[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)C(C)(C)c1ccccc1 ZINC000736917633 600864211 /nfs/dbraw/zinc/86/42/11/600864211.db2.gz UPGXBQJUONGYTH-QGZVFWFLSA-N -1 0 325.408 3.871 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)c3ccc(C(=O)[O-])cc3)cc2)nn1 ZINC000678992641 600870286 /nfs/dbraw/zinc/87/02/86/600870286.db2.gz SLSNXHRPTGYPNB-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCC(CCc3ccccc3)CC2)C1 ZINC000180110626 600875801 /nfs/dbraw/zinc/87/58/01/600875801.db2.gz BDFAUDOMQGZBOI-RTBURBONSA-N -1 0 343.467 3.749 20 0 EHADRM Cc1ccc([C@@H](C)C(=O)NCc2c3ccccc3sc2C(=O)[O-])o1 ZINC000832922402 600876283 /nfs/dbraw/zinc/87/62/83/600876283.db2.gz ACSOUTMZPWEWOX-LLVKDONJSA-N -1 0 343.404 3.921 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)[C@H](C)CC2CCCC2)c1OC ZINC000262408571 600877243 /nfs/dbraw/zinc/87/72/43/600877243.db2.gz BYLKBFOVAUFRAE-LLVKDONJSA-N -1 0 335.400 3.557 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2cc(-c3ccccc3)ns2)cc1 ZINC000833265861 600878254 /nfs/dbraw/zinc/87/82/54/600878254.db2.gz GOHDNXRWIBYVQS-UHFFFAOYSA-N -1 0 338.388 3.690 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc(Cl)c3cccnc23)C1 ZINC000391289827 600878664 /nfs/dbraw/zinc/87/86/64/600878664.db2.gz MITHPDFFWMFGEP-MNOVXSKESA-N -1 0 332.787 3.718 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccc(Cl)c3cccnc23)C1 ZINC000391289828 600878781 /nfs/dbraw/zinc/87/87/81/600878781.db2.gz MITHPDFFWMFGEP-QWRGUYRKSA-N -1 0 332.787 3.718 20 0 EHADRM CCc1ccccc1OCC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000262433400 600879161 /nfs/dbraw/zinc/87/91/61/600879161.db2.gz FCLCLMJQXGWYPR-UHFFFAOYSA-N -1 0 341.407 3.629 20 0 EHADRM COc1ccc(CCC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC000262245527 600881749 /nfs/dbraw/zinc/88/17/49/600881749.db2.gz PNQAXDDKPQLMAS-UHFFFAOYSA-N -1 0 341.407 3.629 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000327157507 600883022 /nfs/dbraw/zinc/88/30/22/600883022.db2.gz PFFIZSTZTNJXFE-UHFFFAOYSA-N -1 0 336.391 3.711 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000827428358 600887903 /nfs/dbraw/zinc/88/79/03/600887903.db2.gz UWSLAADALPFTCS-ZDUSSCGKSA-N -1 0 344.386 3.801 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)N(CC(=O)[O-])c1ccccc1 ZINC000337745140 600888828 /nfs/dbraw/zinc/88/88/28/600888828.db2.gz NKNMOESJQBDBAC-CQSZACIVSA-N -1 0 329.371 3.512 20 0 EHADRM COc1cc(C(=O)[O-])cc(N[C@@H](C)c2ccc(F)cc2F)c1OC ZINC000831913469 600894878 /nfs/dbraw/zinc/89/48/78/600894878.db2.gz QOJGBLUJJYBSET-VIFPVBQESA-N -1 0 337.322 3.853 20 0 EHADRM Cc1nc(C2CCCC2)sc1C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000262421465 600895244 /nfs/dbraw/zinc/89/52/44/600895244.db2.gz CTHFAEMKMLQABJ-ZDUSSCGKSA-N -1 0 338.473 3.586 20 0 EHADRM C[C@H]1CCC[C@H](C(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)C1 ZINC000237744545 600901860 /nfs/dbraw/zinc/90/18/60/600901860.db2.gz PGWBRMGJMFLQLQ-STQMWFEESA-N -1 0 340.423 3.577 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])cn1)c1ccc(-c2ccccc2)cc1 ZINC000830527790 600904052 /nfs/dbraw/zinc/90/40/52/600904052.db2.gz CHNCSIKUKAVVGH-UHFFFAOYSA-N -1 0 332.359 3.723 20 0 EHADRM Cc1[nH]c2c(cc(C)cc2CNC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1C ZINC000262578039 600911608 /nfs/dbraw/zinc/91/16/08/600911608.db2.gz PDWCGZAHNVLNCT-GJZGRUSLSA-N -1 0 342.439 3.600 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NC[C@H](CC(C)C)C(=O)[O-])c1 ZINC000738552433 600916874 /nfs/dbraw/zinc/91/68/74/600916874.db2.gz RYXHROLKMOOKGC-CVEARBPZSA-N -1 0 349.471 3.749 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000325376027 600919180 /nfs/dbraw/zinc/91/91/80/600919180.db2.gz IKMOCPPIMLYMFL-GOSISDBHSA-N -1 0 325.408 3.830 20 0 EHADRM COc1c(Cl)cc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1Cl ZINC000262567849 600921153 /nfs/dbraw/zinc/92/11/53/600921153.db2.gz MEXKGSFMOPJZOG-IUCAKERBSA-N -1 0 346.210 3.832 20 0 EHADRM CCC(CC)(NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000342544140 600928410 /nfs/dbraw/zinc/92/84/10/600928410.db2.gz KJKRLKUDWFMDGC-NWDGAFQWSA-N -1 0 344.238 3.857 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1csc2ccccc21 ZINC000779429566 600936215 /nfs/dbraw/zinc/93/62/15/600936215.db2.gz PZLNOYAHCJYKQB-AVGNSLFASA-N -1 0 331.437 3.970 20 0 EHADRM C[C@@H](CNC(=O)c1ccccc1NC(=O)[O-])c1ccc(F)cc1F ZINC000827497211 600938598 /nfs/dbraw/zinc/93/85/98/600938598.db2.gz LUTMUHJKPNKYMO-JTQLQIEISA-N -1 0 334.322 3.588 20 0 EHADRM O=C([O-])CCN(C(=O)Cc1ccccc1Cl)c1cccc(F)c1 ZINC000739712118 600938864 /nfs/dbraw/zinc/93/88/64/600938864.db2.gz OISQJLNZRBNCAE-UHFFFAOYSA-N -1 0 335.762 3.530 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC000829009982 600938994 /nfs/dbraw/zinc/93/89/94/600938994.db2.gz XMVBIPAUMUSMBC-XKQJLSEDSA-N -1 0 334.412 3.593 20 0 EHADRM O=C([O-])CCN(C(=O)Cc1ccc(Cl)cc1)c1cccc(F)c1 ZINC000739710643 600939784 /nfs/dbraw/zinc/93/97/84/600939784.db2.gz GFQLUOMXMASXBR-UHFFFAOYSA-N -1 0 335.762 3.530 20 0 EHADRM Cc1oc(COC(=O)[C@H]2C[C@@]23CCCc2ccccc23)cc1C(=O)[O-] ZINC000833027263 600942457 /nfs/dbraw/zinc/94/24/57/600942457.db2.gz QTIRCYLSSCKBSQ-YLJYHZDGSA-N -1 0 340.375 3.624 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000825942214 600946014 /nfs/dbraw/zinc/94/60/14/600946014.db2.gz MQNKRHRKXICEIC-HOTGVXAUSA-N -1 0 330.380 3.709 20 0 EHADRM COC(=O)c1cc(NC(=O)c2ccc(C(C)C)cc2)ccc1C(=O)[O-] ZINC000831310489 600949951 /nfs/dbraw/zinc/94/99/51/600949951.db2.gz ZCSZKNMHOYMYFY-UHFFFAOYSA-N -1 0 341.363 3.547 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccc(Oc3ccccn3)cc2)C1 ZINC000833188317 600952380 /nfs/dbraw/zinc/95/23/80/600952380.db2.gz YHHZWDRDODYIQQ-UONOGXRCSA-N -1 0 340.379 3.703 20 0 EHADRM CC(C)C[C@@H](OC(=O)c1csc(-c2ccccc2F)n1)C(=O)[O-] ZINC000826818586 600953328 /nfs/dbraw/zinc/95/33/28/600953328.db2.gz BLMGIBGLKUPGBW-CYBMUJFWSA-N -1 0 337.372 3.605 20 0 EHADRM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000236712722 600954843 /nfs/dbraw/zinc/95/48/43/600954843.db2.gz HTZWVPFXAGVGJH-QGZVFWFLSA-N -1 0 329.371 3.521 20 0 EHADRM CCSCC[C@@H](C)NC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000262457983 600960990 /nfs/dbraw/zinc/96/09/90/600960990.db2.gz XNQVSAGYIXDWHN-VXGBXAGGSA-N -1 0 341.498 3.513 20 0 EHADRM Cc1noc(C(F)(F)F)c1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000833020594 600962676 /nfs/dbraw/zinc/96/26/76/600962676.db2.gz JEYDTFLMNGELFR-UHFFFAOYSA-N -1 0 348.664 3.606 20 0 EHADRM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)Oc2cccc(C(=O)[O-])c2)cc1 ZINC000832928811 600965307 /nfs/dbraw/zinc/96/53/07/600965307.db2.gz WWKKHYKXVSTNQG-ROUUACIJSA-N -1 0 340.375 3.767 20 0 EHADRM CCCOc1ccc(CCC(=O)Nc2ccsc2C(=O)[O-])cc1 ZINC000829532634 600965668 /nfs/dbraw/zinc/96/56/68/600965668.db2.gz XFJSUSKAVWFBFQ-UHFFFAOYSA-N -1 0 333.409 3.806 20 0 EHADRM CCOc1c(F)cccc1C(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC000830027245 600968561 /nfs/dbraw/zinc/96/85/61/600968561.db2.gz TXAIPSUUCDTKQO-UHFFFAOYSA-N -1 0 343.354 3.516 20 0 EHADRM CCOc1c(F)cccc1C(=O)Oc1ccc(Cl)cc1C(=O)[O-] ZINC000830026951 600971550 /nfs/dbraw/zinc/97/15/50/600971550.db2.gz JFXCSSMPQRERDJ-UHFFFAOYSA-N -1 0 338.718 3.795 20 0 EHADRM CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000826687610 600976411 /nfs/dbraw/zinc/97/64/11/600976411.db2.gz LLRCPEHNZPHHJS-JZXOWHBKSA-N -1 0 349.446 3.742 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1ccc(-c2ccncc2)cc1 ZINC000191626188 600981114 /nfs/dbraw/zinc/98/11/14/600981114.db2.gz RTCCEMMQOCHLFP-CQSZACIVSA-N -1 0 346.386 3.938 20 0 EHADRM O=C([O-])c1ccc(OC(=O)c2ncoc2-c2ccccc2Cl)cc1 ZINC000738691647 600994450 /nfs/dbraw/zinc/99/44/50/600994450.db2.gz RXIKYAISNFQVPN-UHFFFAOYSA-N -1 0 343.722 3.912 20 0 EHADRM Cc1cc(C)c(NC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)c(C)c1 ZINC000324843039 600994635 /nfs/dbraw/zinc/99/46/35/600994635.db2.gz DGOHXONAXRBENY-MRXNPFEDSA-N -1 0 326.396 3.602 20 0 EHADRM Cc1ccc(O[C@H](C)CNC(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000832951346 600997335 /nfs/dbraw/zinc/99/73/35/600997335.db2.gz UUIUCKPRGZGGGU-CQSZACIVSA-N -1 0 342.395 3.591 20 0 EHADRM C[C@@H](C(=O)NC1(C(=O)[O-])CCCCC1)c1ccccc1C(F)(F)F ZINC000736212203 600999308 /nfs/dbraw/zinc/99/93/08/600999308.db2.gz RJEDLASLHQBGEO-LLVKDONJSA-N -1 0 343.345 3.713 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)[C@@H](C)c1cccc(F)c1 ZINC000737871279 601000600 /nfs/dbraw/zinc/00/06/00/601000600.db2.gz JLZFQNJZTZERSB-CRALRDPISA-N -1 0 344.338 3.641 20 0 EHADRM O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1Cc2ccccc21 ZINC000325852720 601003733 /nfs/dbraw/zinc/00/37/33/601003733.db2.gz JWLRQLGNQCIDHU-ZDUSSCGKSA-N -1 0 335.281 3.682 20 0 EHADRM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000345778319 601005224 /nfs/dbraw/zinc/00/52/24/601005224.db2.gz MHRLPIFDYHGHKT-BZNIZROVSA-N -1 0 349.789 3.915 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cc3cccc(F)c3o2)c1 ZINC000737932956 601010434 /nfs/dbraw/zinc/01/04/34/601010434.db2.gz FEPQWJGUPLRKRZ-UHFFFAOYSA-N -1 0 329.283 3.531 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c(F)cc1F ZINC000833150297 601012859 /nfs/dbraw/zinc/01/28/59/601012859.db2.gz FZZVAWAPBKOHMU-HBNTYKKESA-N -1 0 338.354 3.753 20 0 EHADRM C[C@@H](C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c1c(Cl)cccc1Cl ZINC000736213386 601013625 /nfs/dbraw/zinc/01/36/25/601013625.db2.gz ZPCPHJQJNJCDLN-PELKAZGASA-N -1 0 332.227 3.712 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N(CC(=O)[O-])c2cccc(C)n2)cc1 ZINC000737256259 601013776 /nfs/dbraw/zinc/01/37/76/601013776.db2.gz FTERCEHCARLXGJ-CQSZACIVSA-N -1 0 340.423 3.564 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@@H]2C[C@H]2Cc2ccccc2)ccc1Cl ZINC000833158635 601014604 /nfs/dbraw/zinc/01/46/04/601014604.db2.gz LTLPVMNEOQAYPJ-MLGOLLRUSA-N -1 0 344.798 3.791 20 0 EHADRM CSc1ccc(OCCN2C[C@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000832785769 601017531 /nfs/dbraw/zinc/01/75/31/601017531.db2.gz POMLBYYKKIYHPZ-AWEZNQCLSA-N -1 0 343.448 3.866 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N[C@H]2C[C@@H]2Cc2ccccc2)cc1 ZINC000833291116 601021534 /nfs/dbraw/zinc/02/15/34/601021534.db2.gz YKRVLECEPSQPHB-BBRMVZONSA-N -1 0 325.368 3.529 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)c2cc3cccc(F)c3o2)c2ccccc21 ZINC000739645916 601025480 /nfs/dbraw/zinc/02/54/80/601025480.db2.gz HHAXSEIDGGJLFZ-GFCCVEGCSA-N -1 0 339.322 3.791 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)c2cnc3ccsc3c2)c2ccccc21 ZINC000739646654 601025691 /nfs/dbraw/zinc/02/56/91/601025691.db2.gz OTXNWFRRQGCYFJ-LBPRGKRZSA-N -1 0 338.388 3.515 20 0 EHADRM Cc1cccc([C@H](C)C(=O)N(CCC(=O)[O-])c2cccc(F)c2)c1 ZINC000738691608 601028882 /nfs/dbraw/zinc/02/88/82/601028882.db2.gz GTJQDWJRVWVJRH-AWEZNQCLSA-N -1 0 329.371 3.746 20 0 EHADRM CN1CCCN(C(=O)c2cccc(C(=O)[O-])c2)c2cc(Cl)ccc21 ZINC000737517555 601030006 /nfs/dbraw/zinc/03/00/06/601030006.db2.gz JZRZXBJWIDTTCG-UHFFFAOYSA-N -1 0 344.798 3.525 20 0 EHADRM CCSCC[C@H](C)N(C)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000820405121 601044558 /nfs/dbraw/zinc/04/45/58/601044558.db2.gz CKILQDHZOHVONJ-JTQLQIEISA-N -1 0 328.409 3.519 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)N2C[C@H](C)[C@@H]2c2ccccc2)c(C)c1C(=O)[O-] ZINC000832843336 601045839 /nfs/dbraw/zinc/04/58/39/601045839.db2.gz UNRYRMVTMXDNKM-KQYVJACZSA-N -1 0 340.423 3.594 20 0 EHADRM Cc1cnc(-c2cccc(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])c2)o1 ZINC000424378851 601046956 /nfs/dbraw/zinc/04/69/56/601046956.db2.gz HGESBSNTSAXCJC-CQSZACIVSA-N -1 0 345.399 3.518 20 0 EHADRM C[C@H](C(=O)NCCCCCC(=O)[O-])c1ccccc1C(F)(F)F ZINC000676211310 601051895 /nfs/dbraw/zinc/05/18/95/601051895.db2.gz BIADVDUVJCBJNT-NSHDSACASA-N -1 0 331.334 3.570 20 0 EHADRM CCC[C@H]1[C@H](C)CCCN1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000829245193 601052898 /nfs/dbraw/zinc/05/28/98/601052898.db2.gz GKOJDEQDSWYFMW-CJNGLKHVSA-N -1 0 333.432 3.887 20 0 EHADRM O=C([O-])c1cccc(NC(=O)NCC2CCC(C(F)(F)F)CC2)c1 ZINC000833139935 601057633 /nfs/dbraw/zinc/05/76/33/601057633.db2.gz MBNLIZHVHHXFMA-UHFFFAOYSA-N -1 0 344.333 3.875 20 0 EHADRM Cc1cc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2F)c(C)n1C(C)C ZINC000832869030 601060969 /nfs/dbraw/zinc/06/09/69/601060969.db2.gz WROOJLKBCRUXGM-MRXNPFEDSA-N -1 0 333.359 3.808 20 0 EHADRM CC(C)(C(=O)Nc1cc(C(=O)[O-])ccn1)c1ccc2ccccc2c1 ZINC000736223340 601062161 /nfs/dbraw/zinc/06/21/61/601062161.db2.gz JYKSZRXBOYCQPH-UHFFFAOYSA-N -1 0 334.375 3.849 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)c1cccc2cnccc21)C(=O)[O-] ZINC000827456640 601063674 /nfs/dbraw/zinc/06/36/74/601063674.db2.gz ZSMIHJVQMLMZFL-OAHLLOKOSA-N -1 0 348.402 3.598 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1F ZINC000833351676 601064471 /nfs/dbraw/zinc/06/44/71/601064471.db2.gz OZJKWNFXFYLDJE-CYBMUJFWSA-N -1 0 342.244 3.827 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2cccc3cnccc32)ccc1F ZINC000833282952 601066341 /nfs/dbraw/zinc/06/63/41/601066341.db2.gz MVFCHSOWHCBDNS-UHFFFAOYSA-N -1 0 325.299 3.716 20 0 EHADRM CC(C)c1ccc(C(=O)[C@H](C)OC(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000827852955 601072712 /nfs/dbraw/zinc/07/27/12/601072712.db2.gz JMKOPYMLNLWMCP-NSHDSACASA-N -1 0 346.404 3.998 20 0 EHADRM O=C([O-])[C@@H](OC(=O)CCn1ccc2ccccc21)c1ccccc1F ZINC000833103958 601076248 /nfs/dbraw/zinc/07/62/48/601076248.db2.gz OMNGEQJDKMZBOJ-SFHVURJKSA-N -1 0 341.338 3.540 20 0 EHADRM C[C@@H](C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1)c1cccs1 ZINC000826026976 601076729 /nfs/dbraw/zinc/07/67/29/601076729.db2.gz SGAGOAOZUPWZTB-MRVPVSSYSA-N -1 0 338.454 3.943 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)cc1 ZINC000825946819 601076868 /nfs/dbraw/zinc/07/68/68/601076868.db2.gz RSFVCJVXHQEZEQ-UHFFFAOYSA-N -1 0 346.408 3.594 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000486341191 601081825 /nfs/dbraw/zinc/08/18/25/601081825.db2.gz AHXNASWTBGDIDQ-AEFFLSMTSA-N -1 0 331.456 3.968 20 0 EHADRM Cc1cc(F)cc(C(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c1 ZINC000832887694 601082440 /nfs/dbraw/zinc/08/24/40/601082440.db2.gz YCZPCJQZXISYQJ-DOTOQJQBSA-N -1 0 333.403 3.630 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000262130272 601084212 /nfs/dbraw/zinc/08/42/12/601084212.db2.gz JQPZGVDSVYHHRE-HNAYVOBHSA-N -1 0 339.435 3.727 20 0 EHADRM C[C@H](c1ccncc1)N(C)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000383908607 601086730 /nfs/dbraw/zinc/08/67/30/601086730.db2.gz DYHQMLNSSSTFMN-CYBMUJFWSA-N -1 0 341.411 3.669 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)CCc1ccccc1F ZINC000833176223 601091306 /nfs/dbraw/zinc/09/13/06/601091306.db2.gz CBESCNXXCILMTA-SJLPKXTDSA-N -1 0 347.430 3.640 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cs1 ZINC000832993946 601092329 /nfs/dbraw/zinc/09/23/29/601092329.db2.gz LXELKMMGTRTMCG-SNVBAGLBSA-N -1 0 347.440 3.696 20 0 EHADRM CCc1cnc(NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)s1 ZINC000830299562 601100630 /nfs/dbraw/zinc/10/06/30/601100630.db2.gz STEFNGSRPWVKMM-UHFFFAOYSA-N -1 0 333.413 3.712 20 0 EHADRM CCC/C=C\C(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000829266279 601109130 /nfs/dbraw/zinc/10/91/30/601109130.db2.gz IDLCYHPEGCGNOE-YWEYNIOJSA-N -1 0 331.393 3.908 20 0 EHADRM Cc1cnc([C@H](C)NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)s1 ZINC000832985737 601128016 /nfs/dbraw/zinc/12/80/16/601128016.db2.gz LOFCYFWIMOXTGA-QMMMGPOBSA-N -1 0 338.364 3.563 20 0 EHADRM CCN(C(=O)Nc1cccc(CSCC(=O)[O-])c1)C1CCCC1 ZINC000829602116 601128767 /nfs/dbraw/zinc/12/87/67/601128767.db2.gz FWXFDAUDTNKUTQ-UHFFFAOYSA-N -1 0 336.457 3.801 20 0 EHADRM Cc1c(C(=O)N[C@H](CC(=O)[O-])c2cccs2)cnc2ccccc12 ZINC000761421382 601134709 /nfs/dbraw/zinc/13/47/09/601134709.db2.gz QVOPNBBYPSDCTM-OAHLLOKOSA-N -1 0 340.404 3.551 20 0 EHADRM CC[C@](NC(=O)c1cnc2ccccc2c1C)(C(=O)[O-])c1ccccc1 ZINC000431434532 601137829 /nfs/dbraw/zinc/13/78/29/601137829.db2.gz OMQKGIXGIBLJAC-OAQYLSRUSA-N -1 0 348.402 3.663 20 0 EHADRM Cc1ccc(NC(=O)N[C@H](C)c2cc(F)ccc2F)cc1C(=O)[O-] ZINC000832946103 601141743 /nfs/dbraw/zinc/14/17/43/601141743.db2.gz KHUXOIGALBJDJV-SNVBAGLBSA-N -1 0 334.322 3.854 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC000827582079 601143658 /nfs/dbraw/zinc/14/36/58/601143658.db2.gz XCHUNVZXARSCEB-ZDUSSCGKSA-N -1 0 347.411 3.672 20 0 EHADRM COc1ccccc1[C@@H](C)NC(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000832594035 601147125 /nfs/dbraw/zinc/14/71/25/601147125.db2.gz BLQPAHRYFFFRBX-GFCCVEGCSA-N -1 0 328.368 3.585 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc(C(F)(F)F)c2F)s1 ZINC000317597101 601147508 /nfs/dbraw/zinc/14/75/08/601147508.db2.gz RLEAZHRTJUWUEZ-UHFFFAOYSA-N -1 0 333.262 3.857 20 0 EHADRM Cc1ccc(OC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c(Br)c1 ZINC000832953472 601147622 /nfs/dbraw/zinc/14/76/22/601147622.db2.gz SZRYMZFIDCHTBJ-MNOVXSKESA-N -1 0 341.201 3.554 20 0 EHADRM CCN(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1nc2ccccc2s1 ZINC000829591332 601147886 /nfs/dbraw/zinc/14/78/86/601147886.db2.gz RRNUTSQWSZJGCS-VXGBXAGGSA-N -1 0 332.425 3.540 20 0 EHADRM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccsc1C(=O)[O-] ZINC000829014771 601151096 /nfs/dbraw/zinc/15/10/96/601151096.db2.gz PUBBKQZKHJYRHD-LLVKDONJSA-N -1 0 339.800 3.896 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cc(Cl)ccc2OC(F)F)o1 ZINC000833316282 601152452 /nfs/dbraw/zinc/15/24/52/601152452.db2.gz YAMSDRLGVFVQJR-UHFFFAOYSA-N -1 0 346.669 3.590 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CCCc3cc(Cl)cc(F)c32)C1 ZINC000833184374 601155799 /nfs/dbraw/zinc/15/57/99/601155799.db2.gz GBTHSRJODBCRKG-NEPJUHHUSA-N -1 0 339.794 3.649 20 0 EHADRM C/C(=C/CN1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1)C(=O)[O-] ZINC000825746354 601165572 /nfs/dbraw/zinc/16/55/72/601165572.db2.gz HCFLBCYMLJEKPL-YPULQFSKSA-N -1 0 348.201 3.537 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1csc(C(C)(C)C)n1)c1ccccc1 ZINC000262548975 601166734 /nfs/dbraw/zinc/16/67/34/601166734.db2.gz UKAPVYVIGCHTAS-FZMZJTMJSA-N -1 0 346.452 3.632 20 0 EHADRM CSc1ccccc1C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000507318922 601171126 /nfs/dbraw/zinc/17/11/26/601171126.db2.gz NWYCRLBBTFDSTP-LRDDRELGSA-N -1 0 329.421 3.600 20 0 EHADRM Cc1nc2ccccc2cc1C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000833005392 601171762 /nfs/dbraw/zinc/17/17/62/601171762.db2.gz AGJFMICBMDKPBR-YJYMSZOUSA-N -1 0 348.402 3.735 20 0 EHADRM C[C@@H]1CSc2ccccc2N1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000828516127 601173833 /nfs/dbraw/zinc/17/38/33/601173833.db2.gz IUTGXDHMOPADKV-CYBMUJFWSA-N -1 0 341.432 3.845 20 0 EHADRM CCO[C@H](CCNC(=O)Nc1cc(C(=O)[O-])ccc1C)C1CCCC1 ZINC000829917755 601176487 /nfs/dbraw/zinc/17/64/87/601176487.db2.gz IENXCSLZAZXRJJ-QGZVFWFLSA-N -1 0 348.443 3.800 20 0 EHADRM Cc1ccc(-c2cnc(COC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)o2)cc1 ZINC000832907213 601191306 /nfs/dbraw/zinc/19/13/06/601191306.db2.gz PAYNGPCYZHTFTA-CABCVRRESA-N -1 0 343.379 3.584 20 0 EHADRM COc1ccc(-c2csc(CNc3ccc(C(=O)[O-])nn3)c2)cc1 ZINC000832123984 601202881 /nfs/dbraw/zinc/20/28/81/601202881.db2.gz GVQOMHDRSVAKQH-UHFFFAOYSA-N -1 0 341.392 3.524 20 0 EHADRM Cc1ccc(C)c(OCCCNc2ccc(CNC(=O)[O-])cc2)c1 ZINC000832925888 601210044 /nfs/dbraw/zinc/21/00/44/601210044.db2.gz ZRLRBGQKPNFZBB-UHFFFAOYSA-N -1 0 328.412 3.952 20 0 EHADRM COc1cccc(/C(C)=C/C(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC000763415994 601265268 /nfs/dbraw/zinc/26/52/68/601265268.db2.gz DTLKUMZRNNDTRZ-DHZHZOJOSA-N -1 0 329.327 3.575 20 0 EHADRM COc1cccc(/C(C)=C\C(=O)Nc2cccc(F)c2C(=O)[O-])c1 ZINC000832527884 601265538 /nfs/dbraw/zinc/26/55/38/601265538.db2.gz FHYHTONWNAJFCX-LUAWRHEFSA-N -1 0 329.327 3.575 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CC3(CCCC3)c3ccccc32)C1 ZINC000180126424 601271009 /nfs/dbraw/zinc/27/10/09/601271009.db2.gz UTVTXRHMVPHEBK-HUUCEWRRSA-N -1 0 327.424 3.736 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000776595114 601278392 /nfs/dbraw/zinc/27/83/92/601278392.db2.gz DHWRHODWAUGQQI-MARXPDLDSA-N -1 0 333.384 3.623 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)C/C=C\c1ccc(F)cc1 ZINC000675947961 601278777 /nfs/dbraw/zinc/27/87/77/601278777.db2.gz UVZNILFZLRRJGU-DAXSKMNVSA-N -1 0 341.382 3.733 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000825798760 601280544 /nfs/dbraw/zinc/28/05/44/601280544.db2.gz WVXADJLNUCAELX-VAWYXSNFSA-N -1 0 328.343 3.982 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000236686823 601280547 /nfs/dbraw/zinc/28/05/47/601280547.db2.gz ZWYAPMXBRQBPOJ-XSLBHYSZSA-N -1 0 345.345 3.700 20 0 EHADRM CCCCC[C@@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1ccccc1 ZINC000829333535 601283637 /nfs/dbraw/zinc/28/36/37/601283637.db2.gz OIQWDFOCMZAXQY-MRXNPFEDSA-N -1 0 326.396 3.831 20 0 EHADRM CC[C@@](NC(=O)C/C=C/c1cccc(F)c1)(C(=O)[O-])c1ccccc1 ZINC000485369649 601284174 /nfs/dbraw/zinc/28/41/74/601284174.db2.gz JDVLERZHVCUINW-JCOOBLOPSA-N -1 0 341.382 3.735 20 0 EHADRM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)c1ccnc(C(=O)[O-])c1 ZINC000362534408 601286589 /nfs/dbraw/zinc/28/65/89/601286589.db2.gz PNOXTEDJJYJSHN-QGZVFWFLSA-N -1 0 326.396 3.558 20 0 EHADRM Cc1[nH]c(C(=O)Nc2ccc(C(=O)C(C)(C)C)cc2)c(C)c1C(=O)[O-] ZINC000832846477 601290633 /nfs/dbraw/zinc/29/06/33/601290633.db2.gz OXLFSVWFDTXJOG-UHFFFAOYSA-N -1 0 342.395 3.811 20 0 EHADRM C[C@@H]1C[C@@H]1[C@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000537364922 601291138 /nfs/dbraw/zinc/29/11/38/601291138.db2.gz YSFKVORJRCCOOH-FUEDEBDSSA-N -1 0 344.798 3.560 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)c1ccnc(C(=O)[O-])c1 ZINC000653293895 601292011 /nfs/dbraw/zinc/29/20/11/601292011.db2.gz RRXKWBXSAGMESI-KRWDZBQOSA-N -1 0 340.423 3.572 20 0 EHADRM Cc1ccccc1SCC(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000237508551 601296103 /nfs/dbraw/zinc/29/61/03/601296103.db2.gz IIXIFTSIAUNCAC-KBXCAEBGSA-N -1 0 343.448 3.665 20 0 EHADRM COc1cc(Cl)ccc1C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832003948 601297843 /nfs/dbraw/zinc/29/78/43/601297843.db2.gz GRWACZDSLRDKBK-BZNIZROVSA-N -1 0 347.798 3.540 20 0 EHADRM O=C([O-])c1c(F)cccc1NCc1ncc(-c2cccc(F)c2)o1 ZINC000833293917 601301722 /nfs/dbraw/zinc/30/17/22/601301722.db2.gz HVNMUHUPOWCFKX-UHFFFAOYSA-N -1 0 330.290 3.930 20 0 EHADRM CO[C@@H](C)c1nc(CN(Cc2ccccc2)C[C@@H](C)C(=O)[O-])cs1 ZINC000570168042 601304955 /nfs/dbraw/zinc/30/49/55/601304955.db2.gz FSEBECCOYNKEGC-KGLIPLIRSA-N -1 0 348.468 3.573 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)CSc1ccccc1Cl ZINC000262139711 601306201 /nfs/dbraw/zinc/30/62/01/601306201.db2.gz RSHCAPFKQNJRNC-UHFFFAOYSA-N -1 0 329.849 3.582 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)CCc1ccc(-c2ccccc2)[nH]1 ZINC000262161074 601306261 /nfs/dbraw/zinc/30/62/61/601306261.db2.gz MXLQIDFJQTVSBM-UHFFFAOYSA-N -1 0 342.439 3.764 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Cc1cc(Cl)ccc1Cl ZINC000538513732 601308584 /nfs/dbraw/zinc/30/85/84/601308584.db2.gz XAGSIBGCWLQLAJ-UHFFFAOYSA-N -1 0 332.227 3.686 20 0 EHADRM CCc1ccccc1NC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000830282081 601309314 /nfs/dbraw/zinc/30/93/14/601309314.db2.gz LNOKAQUMQIPOOP-MRXNPFEDSA-N -1 0 330.359 3.726 20 0 EHADRM CCO[C@@H]1C[C@@H](NC(=O)Nc2cccc(NC(=O)[O-])c2)C1(CC)CC ZINC000829925168 601337058 /nfs/dbraw/zinc/33/70/58/601337058.db2.gz NQRHYONLWXFZEP-HUUCEWRRSA-N -1 0 349.431 3.882 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000828201986 601337339 /nfs/dbraw/zinc/33/73/39/601337339.db2.gz ZLZBQRQYDCECQK-IVMMDQJWSA-N -1 0 331.416 3.639 20 0 EHADRM O=C([O-])c1cccc(OCc2noc(/C=C/c3ccsc3)n2)c1 ZINC000833333707 601365716 /nfs/dbraw/zinc/36/57/16/601365716.db2.gz WUJPPQDHPYWUAE-SNAWJCMRSA-N -1 0 328.349 3.579 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)COc1ccccc1NC(=O)[O-] ZINC000832934791 601369230 /nfs/dbraw/zinc/36/92/30/601369230.db2.gz KWSQXDCLZSXPRO-UHFFFAOYSA-N -1 0 334.759 3.756 20 0 EHADRM CO[C@@H](C)c1nc(C)c(-c2nc(-c3cccc(C(=O)[O-])c3)no2)s1 ZINC000831494054 601380300 /nfs/dbraw/zinc/38/03/00/601380300.db2.gz UKSXEODQIZHDRB-VIFPVBQESA-N -1 0 345.380 3.574 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000769515254 601391793 /nfs/dbraw/zinc/39/17/93/601391793.db2.gz DGFAYZIYQAPWJQ-RDTXWAMCSA-N -1 0 341.407 3.810 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)/C=C\c1ccc(Cl)s1)c1ccccc1 ZINC000767074336 601393990 /nfs/dbraw/zinc/39/39/90/601393990.db2.gz PVAKHAJNBSSDAX-DGJBGANMSA-N -1 0 349.839 3.993 20 0 EHADRM Cc1ccc(Cl)c(NC(=S)NC2(CC(=O)[O-])CCC2)c1Cl ZINC000832935765 601394099 /nfs/dbraw/zinc/39/40/99/601394099.db2.gz XXIKUNRLVYJWAF-UHFFFAOYSA-N -1 0 347.267 3.986 20 0 EHADRM Cc1ccc2cc(C(=O)N[C@H](c3ccccc3)[C@@H](C)C(=O)[O-])[nH]c2c1 ZINC000237759120 601394564 /nfs/dbraw/zinc/39/45/64/601394564.db2.gz BYHRVARUYSBNAT-ACJLOTCBSA-N -1 0 336.391 3.668 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CSc1nnc(-c2ccccc2)n1C ZINC000830398217 601395402 /nfs/dbraw/zinc/39/54/02/601395402.db2.gz HVNKZVJTASIQDH-UHFFFAOYSA-N -1 0 343.408 3.628 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000828758296 601402768 /nfs/dbraw/zinc/40/27/68/601402768.db2.gz JTMADQYSAJKCRF-CYBMUJFWSA-N -1 0 339.391 3.718 20 0 EHADRM CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000830158361 601403773 /nfs/dbraw/zinc/40/37/73/601403773.db2.gz VLHLMKLIEZRKBL-UKRRQHHQSA-N -1 0 336.457 3.879 20 0 EHADRM Cc1ccsc1-c1nnc(SCc2cc(C)c(C(=O)[O-])o2)o1 ZINC000832885733 601407768 /nfs/dbraw/zinc/40/77/68/601407768.db2.gz XWXMMODRSNOGCQ-UHFFFAOYSA-N -1 0 336.394 3.998 20 0 EHADRM C[C@@H]1CCCN1C(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000263555520 601408797 /nfs/dbraw/zinc/40/87/97/601408797.db2.gz YPUDOQBYRKZETL-GFCCVEGCSA-N -1 0 345.420 3.895 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN1CCO[C@@H](c2ccccc2Cl)C1 ZINC000577958113 601416520 /nfs/dbraw/zinc/41/65/20/601416520.db2.gz UTEGMYRQRYPRIO-QGZVFWFLSA-N -1 0 349.814 3.767 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N1C[C@@H]2CCCC[C@@H]2C1)C(=O)[O-] ZINC000237369924 601429602 /nfs/dbraw/zinc/42/96/02/601429602.db2.gz XUYPBEVQPJCWKP-MCIONIFRSA-N -1 0 333.453 3.514 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Nc2ccc(OCC(F)F)cc2)cc1 ZINC000833102008 601444345 /nfs/dbraw/zinc/44/43/45/601444345.db2.gz JIACRTXLAXLCCK-UHFFFAOYSA-N -1 0 349.333 3.600 20 0 EHADRM O=C([O-])c1cc(NC(=O)C/C=C\c2cccc(F)c2)c(F)cc1F ZINC000833096265 601446227 /nfs/dbraw/zinc/44/62/27/601446227.db2.gz JPUQXJABNHTNPB-RQOWECAXSA-N -1 0 335.281 3.844 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000832524061 601447406 /nfs/dbraw/zinc/44/74/06/601447406.db2.gz PQARASZQRQXBTR-QMMMGPOBSA-N -1 0 340.784 3.817 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000237116176 601457733 /nfs/dbraw/zinc/45/77/33/601457733.db2.gz XTMXAPOHXYLXDB-FUHIMQAGSA-N -1 0 325.408 3.703 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)CCSc1ccccc1Cl ZINC000237094230 601460153 /nfs/dbraw/zinc/46/01/53/601460153.db2.gz CQMZJENENIUQQU-OAHLLOKOSA-N -1 0 329.849 3.582 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000830384409 601462398 /nfs/dbraw/zinc/46/23/98/601462398.db2.gz QNYUQOPUMNRVDP-MWLCHTKSSA-N -1 0 348.317 3.952 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)CCSc1ccc(Cl)cc1 ZINC000237094147 601469094 /nfs/dbraw/zinc/46/90/94/601469094.db2.gz NSQMGGHCZILFAJ-OAHLLOKOSA-N -1 0 329.849 3.582 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)CCc1ccc(-c2ccccc2)o1 ZINC000237096134 601469327 /nfs/dbraw/zinc/46/93/27/601469327.db2.gz XLPQLNGVXGEKKN-LJQANCHMSA-N -1 0 329.396 3.639 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000825798737 601472676 /nfs/dbraw/zinc/47/26/76/601472676.db2.gz VVEVSMYCNBPEMG-OFAQMXQXSA-N -1 0 332.302 3.737 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)OCc2cc(C)c(C(=O)[O-])o2)cc1 ZINC000832220755 601474353 /nfs/dbraw/zinc/47/43/53/601474353.db2.gz FLIQAXUBWBKWBX-NSHDSACASA-N -1 0 332.352 3.532 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2cccc(OC3CCCC3)c2)CCC1 ZINC000649537331 601477019 /nfs/dbraw/zinc/47/70/19/601477019.db2.gz AYZMWFGYVYTYJN-UHFFFAOYSA-N -1 0 332.400 3.527 20 0 EHADRM Cc1cc(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])c(C)n1C(C)C ZINC000262559548 601483683 /nfs/dbraw/zinc/48/36/83/601483683.db2.gz XTPBWRTVMOGHKM-SFHVURJKSA-N -1 0 340.423 3.510 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000832528739 601484024 /nfs/dbraw/zinc/48/40/24/601484024.db2.gz PNSRAZHORLDQRU-KPZWWZAWSA-N -1 0 346.354 3.697 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)Nc2cccc3c2CCCC3)CC1 ZINC000324285255 601484415 /nfs/dbraw/zinc/48/44/15/601484415.db2.gz QGMXUYRHUFNFMM-UHFFFAOYSA-N -1 0 330.428 3.674 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)/C=C\c1ccc(Cl)s1 ZINC000321407333 601490153 /nfs/dbraw/zinc/49/01/53/601490153.db2.gz AXBUVYHQEMRVQF-QKIRZYONSA-N -1 0 347.823 3.625 20 0 EHADRM CC[C@@H](CC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-])c1ccccc1 ZINC000262515334 601495575 /nfs/dbraw/zinc/49/55/75/601495575.db2.gz LEEWIUJQYDCHKN-MGPUTAFESA-N -1 0 337.419 3.781 20 0 EHADRM CCc1ccc(CC)c(NC(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000659759320 601497739 /nfs/dbraw/zinc/49/77/39/601497739.db2.gz DRUVAGKHACEEFF-UHFFFAOYSA-N -1 0 327.380 3.527 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCCSc1ccc(Cl)cc1)C1CC1 ZINC000317466467 601518591 /nfs/dbraw/zinc/51/85/91/601518591.db2.gz YUCFMHRJKDTXIZ-CQSZACIVSA-N -1 0 341.860 3.582 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccccc1Sc1ccccc1)C1CC1 ZINC000833200635 601522590 /nfs/dbraw/zinc/52/25/90/601522590.db2.gz WMICYXFHUICQBO-MRXNPFEDSA-N -1 0 341.432 3.821 20 0 EHADRM Cc1cc(C(=O)N2C[C@H](C)c3ccccc32)cc(C)c1OCC(=O)[O-] ZINC000237638433 601533953 /nfs/dbraw/zinc/53/39/53/601533953.db2.gz VQJGCUZVMBKURW-AWEZNQCLSA-N -1 0 339.391 3.531 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)N[C@H](CC(=O)[O-])C2CC2)cc1 ZINC000832905951 601535706 /nfs/dbraw/zinc/53/57/06/601535706.db2.gz LIYITTGUZWFWMM-OAHLLOKOSA-N -1 0 329.421 3.707 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1Cc1cc(-c2cccs2)on1 ZINC000324389047 601546747 /nfs/dbraw/zinc/54/67/47/601546747.db2.gz NAOJCFHCBUNNNJ-KRWDZBQOSA-N -1 0 340.404 3.587 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)/C=C\SCc2ccco2)c2ccccc21 ZINC000833215547 601572586 /nfs/dbraw/zinc/57/25/86/601572586.db2.gz NMJABEZXYHPYEV-FNOHHLHBSA-N -1 0 343.404 3.632 20 0 EHADRM C[C@@H](O)c1cccc(OCCOc2ccc(C(=O)[O-])cc2Cl)c1 ZINC000827804445 601578261 /nfs/dbraw/zinc/57/82/61/601578261.db2.gz YGGVSSDQYGPMSN-LLVKDONJSA-N -1 0 336.771 3.549 20 0 EHADRM O=C([O-])[C@H](NC(=O)CCCc1cccs1)c1ccc(Cl)cc1 ZINC000263135476 601584377 /nfs/dbraw/zinc/58/43/77/601584377.db2.gz HURQXUSMNCFMSJ-OAHLLOKOSA-N -1 0 337.828 3.666 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc(CSc2ccccc2)cc1)C1CC1 ZINC000262142071 601590773 /nfs/dbraw/zinc/59/07/73/601590773.db2.gz MCGSZFUHFVLSDN-QGZVFWFLSA-N -1 0 341.432 3.572 20 0 EHADRM O=C([O-])C1(CNC(=O)CCc2ccc3ccccc3c2)CCCC1 ZINC000676023895 601602266 /nfs/dbraw/zinc/60/22/66/601602266.db2.gz TURBGOXBBBZZJB-UHFFFAOYSA-N -1 0 325.408 3.534 20 0 EHADRM O=C([O-])[C@H](OC(=O)Cc1cccc(F)c1F)c1cccc(Cl)c1 ZINC000833118947 601605349 /nfs/dbraw/zinc/60/53/49/601605349.db2.gz PKMVPFLOLUYGGK-OAHLLOKOSA-N -1 0 340.709 3.530 20 0 EHADRM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818143730 601613311 /nfs/dbraw/zinc/61/33/11/601613311.db2.gz OQQYCZOKQCHDNM-OAHLLOKOSA-N -1 0 347.798 3.763 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)Nc1ccc2c(c1)CCC2)c1ccccc1 ZINC000826038554 601615030 /nfs/dbraw/zinc/61/50/30/601615030.db2.gz GLNXIZGTGDZDMI-UGSOOPFHSA-N -1 0 338.407 3.759 20 0 EHADRM Cc1ccc(F)c(NC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000832936101 601615205 /nfs/dbraw/zinc/61/52/05/601615205.db2.gz XVZUEXDLGORHFZ-WBMJQRKESA-N -1 0 330.359 3.718 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)Cc1csc2ccccc12 ZINC000346002402 601616415 /nfs/dbraw/zinc/61/64/15/601616415.db2.gz AIKMNLKCAGQDNX-UHFFFAOYSA-N -1 0 325.389 3.710 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(Cl)o1)c1ccc(Cl)cc1 ZINC000345905603 601619148 /nfs/dbraw/zinc/61/91/48/601619148.db2.gz LENVMXVGNBDBPN-JTQLQIEISA-N -1 0 328.151 3.532 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2Cc1nc2cc(F)ccc2o1 ZINC000833333986 601620675 /nfs/dbraw/zinc/62/06/75/601620675.db2.gz HUWSUHKOUHDKFT-UHFFFAOYSA-N -1 0 326.327 3.618 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CSc1nnnn1C1CCCCC1 ZINC000833031897 601621355 /nfs/dbraw/zinc/62/13/55/601621355.db2.gz VLNPDWURVBTAMO-UHFFFAOYSA-N -1 0 338.458 3.539 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)Nc1cccc2[nH]ccc21)c1ccccc1 ZINC000826039720 601622397 /nfs/dbraw/zinc/62/23/97/601622397.db2.gz XZFODHYYYWZIIL-YVEFUNNKSA-N -1 0 337.379 3.751 20 0 EHADRM CN(Cc1ccc(NC(=O)N2CCC[C@H]3CCC[C@H]32)cc1)C(=O)[O-] ZINC000830835492 601625102 /nfs/dbraw/zinc/62/51/02/601625102.db2.gz GQNWABUTTKWVQH-GDBMZVCRSA-N -1 0 331.416 3.593 20 0 EHADRM C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000828510115 601635212 /nfs/dbraw/zinc/63/52/12/601635212.db2.gz WRSGMBHXGWLUHF-TYILLQQXSA-N -1 0 343.398 3.874 20 0 EHADRM C[C@H](CSc1ccc(F)cc1)C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC000827581102 601647091 /nfs/dbraw/zinc/64/70/91/601647091.db2.gz IHFJJDRENHAFDH-GFCCVEGCSA-N -1 0 348.395 3.787 20 0 EHADRM COc1ccc(CNC(=O)C2(CC(C)C)CCCC2)cc1C(=O)[O-] ZINC000832318955 601650824 /nfs/dbraw/zinc/65/08/24/601650824.db2.gz MRUDULHENVMUGM-UHFFFAOYSA-N -1 0 333.428 3.616 20 0 EHADRM CCn1c(C)cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c1C ZINC000262077311 601663555 /nfs/dbraw/zinc/66/35/55/601663555.db2.gz JSWLBBQKVGIFHY-INIZCTEOSA-N -1 0 348.830 3.724 20 0 EHADRM O=C([O-])COc1ccc(C(=O)N(CC2CCC2)c2ccccc2)cc1 ZINC000663093756 601665258 /nfs/dbraw/zinc/66/52/58/601665258.db2.gz YPXSAOFWMNUFJN-UHFFFAOYSA-N -1 0 339.391 3.597 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)Cc1c(F)cccc1F ZINC000190737953 601672183 /nfs/dbraw/zinc/67/21/83/601672183.db2.gz KRDUBJALLVFXSH-UHFFFAOYSA-N -1 0 349.333 3.631 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)CCCc2ccc(F)c(F)c2)c2ccccc21 ZINC000192956128 601676527 /nfs/dbraw/zinc/67/65/27/601676527.db2.gz WZACLBDIQAOLFX-AWEZNQCLSA-N -1 0 345.345 3.503 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)c1ccc2ccc(Cl)cc2n1 ZINC000833025443 601682845 /nfs/dbraw/zinc/68/28/45/601682845.db2.gz LJIXSOLAYFDHIM-UHFFFAOYSA-N -1 0 345.738 3.845 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccc2ccc(Cl)cc2n1)c1ccccc1 ZINC000833349405 601683184 /nfs/dbraw/zinc/68/31/84/601683184.db2.gz CYZRJJMFRZRZDE-INIZCTEOSA-N -1 0 341.750 3.871 20 0 EHADRM O=C([O-])[C@@]1(F)CCN(C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000833160717 601685705 /nfs/dbraw/zinc/68/57/05/601685705.db2.gz PIHNUCJQLQHJBZ-GOSISDBHSA-N -1 0 344.342 3.509 20 0 EHADRM CSCc1cc(F)ccc1CNC(=O)c1cccc(NC(=O)[O-])c1 ZINC000832770711 601688566 /nfs/dbraw/zinc/68/85/66/601688566.db2.gz BWBVGJXXQJGTHX-UHFFFAOYSA-N -1 0 348.399 3.709 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000262983935 601695752 /nfs/dbraw/zinc/69/57/52/601695752.db2.gz UNUVJFAEKGJULV-UKRRQHHQSA-N -1 0 333.453 3.538 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)N2C[C@H](C)[C@@H](C(=O)[O-])C2)cc1 ZINC000832905622 601697586 /nfs/dbraw/zinc/69/75/86/601697586.db2.gz DNAMGVBSLVPCRT-WFASDCNBSA-N -1 0 329.421 3.516 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1ccc(C(F)(F)F)cn1 ZINC000833032581 601706729 /nfs/dbraw/zinc/70/67/29/601706729.db2.gz CALVQIYPCMDLEL-UHFFFAOYSA-N -1 0 345.298 3.526 20 0 EHADRM CC(C)(CNC(=O)C[C@@H](Cc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000262171049 601708730 /nfs/dbraw/zinc/70/87/30/601708730.db2.gz DISWNUGSWOGTHE-GOSISDBHSA-N -1 0 339.435 3.630 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)C[C@@H]1C ZINC000828378043 601718305 /nfs/dbraw/zinc/71/83/05/601718305.db2.gz OHPQMZFUZGWCBH-STQMWFEESA-N -1 0 336.457 3.514 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000832590025 601727672 /nfs/dbraw/zinc/72/76/72/601727672.db2.gz XJDUFACOOUYIEB-LBPRGKRZSA-N -1 0 346.354 3.770 20 0 EHADRM O=C([O-])c1ccc(COC(=O)C/C=C\c2ccc(F)cc2)cc1F ZINC000833096883 601733824 /nfs/dbraw/zinc/73/38/24/601733824.db2.gz VUPXTRMDICFFNH-UPHRSURJSA-N -1 0 332.302 3.810 20 0 EHADRM O=C([O-])c1ccc(COC(=O)Cc2coc3cc(F)ccc23)cc1F ZINC000833120051 601733935 /nfs/dbraw/zinc/73/39/35/601733935.db2.gz MVQVILPYEPLWGI-UHFFFAOYSA-N -1 0 346.285 3.695 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccc(F)c(F)c1F)c1cccc(Cl)c1 ZINC000833351324 601734615 /nfs/dbraw/zinc/73/46/15/601734615.db2.gz PUGJWBHGXYAUOZ-ZDUSSCGKSA-N -1 0 344.672 3.740 20 0 EHADRM O=C([O-])CCCc1csc(NC(=O)c2ccc3c(c2)CCCC3)n1 ZINC000325195105 601745296 /nfs/dbraw/zinc/74/52/96/601745296.db2.gz GBVVWCDXFUBBKK-UHFFFAOYSA-N -1 0 344.436 3.682 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cccc(Cl)c1Cl)c1ccccc1F ZINC000678986317 601747049 /nfs/dbraw/zinc/74/70/49/601747049.db2.gz FPFPLSUVNMPIBO-CYBMUJFWSA-N -1 0 342.153 3.688 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cccc(Cl)c1Cl)c1ccccc1F ZINC000678986318 601747145 /nfs/dbraw/zinc/74/71/45/601747145.db2.gz FPFPLSUVNMPIBO-ZDUSSCGKSA-N -1 0 342.153 3.688 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1sccc1SC(F)F)C1CCCCC1 ZINC000833124938 601754406 /nfs/dbraw/zinc/75/44/06/601754406.db2.gz HHTAKOPBXWMVHV-JTQLQIEISA-N -1 0 349.424 3.826 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC000325138567 601755036 /nfs/dbraw/zinc/75/50/36/601755036.db2.gz WMZJPHOPSCIBOC-AWEZNQCLSA-N -1 0 333.359 3.644 20 0 EHADRM CC[C@@H]1CCC[C@H]1NC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000829118254 601755577 /nfs/dbraw/zinc/75/55/77/601755577.db2.gz FVINAULETZIFCN-UKRRQHHQSA-N -1 0 336.457 3.705 20 0 EHADRM CCCCC[C@H](NC(=O)c1ccc2nc(Cl)ccc2c1)C(=O)[O-] ZINC000829332935 601760618 /nfs/dbraw/zinc/76/06/18/601760618.db2.gz DXMWVOOAQHGYBZ-AWEZNQCLSA-N -1 0 334.803 3.652 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)N1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000830250160 601773079 /nfs/dbraw/zinc/77/30/79/601773079.db2.gz UUIHEOSGFXODKW-GWCFXTLKSA-N -1 0 338.835 3.649 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000832915665 601773158 /nfs/dbraw/zinc/77/31/58/601773158.db2.gz IHCRCRAQCNRYNE-HNNXBMFYSA-N -1 0 342.370 3.854 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccccc2-c2cccs2)C[C@H]1C(=O)[O-] ZINC000828376829 601774765 /nfs/dbraw/zinc/77/47/65/601774765.db2.gz FQTPJTCFSSMLDA-WCQYABFASA-N -1 0 330.409 3.600 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccccc2SC2CCCC2)C[C@H]1C(=O)[O-] ZINC000828386098 601776665 /nfs/dbraw/zinc/77/66/65/601776665.db2.gz LGJGDJSQGAAIEU-GXTWGEPZSA-N -1 0 348.468 3.906 20 0 EHADRM C[C@H](Nc1nc(Cl)c(C(=O)[O-])s1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000827773247 601786607 /nfs/dbraw/zinc/78/66/07/601786607.db2.gz FIAMIADAPNXXCN-LAEOZQHASA-N -1 0 338.816 3.860 20 0 EHADRM Cc1cc(F)ccc1CCNC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000832890702 601791067 /nfs/dbraw/zinc/79/10/67/601791067.db2.gz YSVFQZBDLPBWCT-UHFFFAOYSA-N -1 0 349.337 3.727 20 0 EHADRM Cc1cc(NC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)ccc1C(=O)[O-] ZINC000832895448 601792039 /nfs/dbraw/zinc/79/20/39/601792039.db2.gz WLXKMMPRRZNFHW-CQSZACIVSA-N -1 0 342.370 3.854 20 0 EHADRM COc1cc2nc(/C=C/c3c[nH]c(C(=O)[O-])c3)sc2cc1OC ZINC000832112305 601793203 /nfs/dbraw/zinc/79/32/03/601793203.db2.gz RHKRADYRHNUDHC-ONEGZZNKSA-N -1 0 330.365 3.510 20 0 EHADRM C[C@H](C(=O)N1CCCC[C@H]1CC(=O)[O-])c1ccc2ccccc2c1 ZINC000653320947 601801665 /nfs/dbraw/zinc/80/16/65/601801665.db2.gz ZKDFYRKJOUTNTN-KSSFIOAISA-N -1 0 325.408 3.799 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2cc3cccc(Cl)c3o2)c2ccccc21 ZINC000833192682 601803378 /nfs/dbraw/zinc/80/33/78/601803378.db2.gz NWXWPKWZRQWQMB-GFCCVEGCSA-N -1 0 341.750 3.915 20 0 EHADRM Cc1cc(CCCC(=O)N(CC(=O)[O-])c2ccccc2)c(C)s1 ZINC000337764646 601803685 /nfs/dbraw/zinc/80/36/85/601803685.db2.gz YSBFEEQWBASLMI-UHFFFAOYSA-N -1 0 331.437 3.805 20 0 EHADRM O=C([O-])c1sccc1CSc1nnc(-c2ccc(F)cc2)o1 ZINC000833348023 601804142 /nfs/dbraw/zinc/80/41/42/601804142.db2.gz LCFPZGJABDROKZ-UHFFFAOYSA-N -1 0 336.369 3.928 20 0 EHADRM Cn1c(SCc2ccsc2C(=O)[O-])nnc1-c1ccccc1F ZINC000833041286 601807068 /nfs/dbraw/zinc/80/70/68/601807068.db2.gz PLVKKSCCGMSAEQ-UHFFFAOYSA-N -1 0 349.412 3.673 20 0 EHADRM O=C([O-])c1sccc1CSc1nccn1Cc1ccccc1 ZINC000833348041 601808005 /nfs/dbraw/zinc/80/80/05/601808005.db2.gz MADTWBQCVMRWEZ-UHFFFAOYSA-N -1 0 330.434 3.983 20 0 EHADRM COc1cccc(CC(=O)Nc2scc(C3CC3)c2C(=O)[O-])c1 ZINC000832546098 601808152 /nfs/dbraw/zinc/80/81/52/601808152.db2.gz TWSRKQHWPZSHBF-UHFFFAOYSA-N -1 0 331.393 3.514 20 0 EHADRM Cc1cc(C)c(NC(=O)CNc2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000832873856 601809629 /nfs/dbraw/zinc/80/96/29/601809629.db2.gz CFLSTSMNTNOTGL-UHFFFAOYSA-N -1 0 332.787 3.706 20 0 EHADRM O=C([O-])c1c(C2CC2)csc1NC(=O)Cc1noc2ccccc21 ZINC000833119843 601810321 /nfs/dbraw/zinc/81/03/21/601810321.db2.gz SUQIKDKNFWXXHY-UHFFFAOYSA-N -1 0 342.376 3.646 20 0 EHADRM C[C@H](SCc1ccc(C(=O)[O-])c(F)c1)C(=O)N(C)c1ccccc1 ZINC000827908725 601812832 /nfs/dbraw/zinc/81/28/32/601812832.db2.gz MVOYRCGCIXAMJJ-LBPRGKRZSA-N -1 0 347.411 3.809 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2cc3ccc(F)cc3s2)CC1 ZINC000321229747 601815080 /nfs/dbraw/zinc/81/50/80/601815080.db2.gz CMYPPVHYVPUYQD-UHFFFAOYSA-N -1 0 335.400 3.757 20 0 EHADRM CCCc1sc(C(=O)N2CCC(CCC(=O)[O-])CC2)cc1CC ZINC000320624827 601821003 /nfs/dbraw/zinc/82/10/03/601821003.db2.gz JBEGKTPNPQTMFF-UHFFFAOYSA-N -1 0 337.485 3.980 20 0 EHADRM Cc1cccc(C2(C(=O)N3CCC(CCC(=O)[O-])CC3)CCCC2)c1 ZINC000539684629 601821659 /nfs/dbraw/zinc/82/16/59/601821659.db2.gz ZUEBJVRPPNHBLM-UHFFFAOYSA-N -1 0 343.467 3.910 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cc3cccc(Cl)c3o2)c1O ZINC000833160584 601822623 /nfs/dbraw/zinc/82/26/23/601822623.db2.gz XTNOPUUXCDKVJE-UHFFFAOYSA-N -1 0 331.711 3.742 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)N2CCC(CCC(=O)[O-])CC2)c1C ZINC000659396956 601827333 /nfs/dbraw/zinc/82/73/33/601827333.db2.gz FGKWXJIFULGOND-HNNXBMFYSA-N -1 0 332.444 3.651 20 0 EHADRM COc1cccc([C@H](C)CC(=O)OCc2cc(C)c(C(=O)[O-])o2)c1 ZINC000832529004 601843742 /nfs/dbraw/zinc/84/37/42/601843742.db2.gz UROQIFKRAAJYPG-LLVKDONJSA-N -1 0 332.352 3.532 20 0 EHADRM Cn1c(SCc2ccc(C(=O)[O-])s2)nnc1-c1ccccc1 ZINC000833039461 601845494 /nfs/dbraw/zinc/84/54/94/601845494.db2.gz LOHQDGRUNVOAHE-UHFFFAOYSA-N -1 0 331.422 3.534 20 0 EHADRM C[C@H](SCc1ccc(C(=O)[O-])s1)C(=O)NC1CCC(C)CC1 ZINC000828225970 601846725 /nfs/dbraw/zinc/84/67/25/601846725.db2.gz MCELZFRFWZOPAY-CXQJBGSLSA-N -1 0 341.498 3.763 20 0 EHADRM Cc1cc(F)c(C(=O)N2CCCc3c(C(=O)[O-])cccc32)cc1F ZINC000832886751 601847610 /nfs/dbraw/zinc/84/76/10/601847610.db2.gz JREURTBQBSPRGJ-UHFFFAOYSA-N -1 0 331.318 3.564 20 0 EHADRM O=C([O-])c1ccc2c(=O)[nH]c(C=Cc3cccc(Cl)c3F)nc2c1 ZINC000833325282 601852287 /nfs/dbraw/zinc/85/22/87/601852287.db2.gz NAHXUNRYPKNIJZ-ALCCZGGFSA-N -1 0 344.729 3.997 20 0 EHADRM CC(C)COC[C@H](NC(=O)c1ccc(NC(=O)[O-])cc1)c1ccco1 ZINC000738827245 601854938 /nfs/dbraw/zinc/85/49/38/601854938.db2.gz OJNPRXHQHAKMPE-HNNXBMFYSA-N -1 0 346.383 3.513 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)Nc1nc2ccccc2s1 ZINC000403089690 601858169 /nfs/dbraw/zinc/85/81/69/601858169.db2.gz RKCLFTUXYAAIAH-UHFFFAOYSA-N -1 0 335.429 3.843 20 0 EHADRM Cc1cc(F)c(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1F ZINC000237654063 601864732 /nfs/dbraw/zinc/86/47/32/601864732.db2.gz HVSYTVDITXHGCM-UHFFFAOYSA-N -1 0 325.698 3.877 20 0 EHADRM O=C([O-])NC1CCC(C(=O)Nc2ncc(-c3ccccc3)s2)CC1 ZINC000740552652 601870629 /nfs/dbraw/zinc/87/06/29/601870629.db2.gz MJTOGSPMJNYFGB-UHFFFAOYSA-N -1 0 345.424 3.575 20 0 EHADRM COc1cccc([C@H](C)C(=O)Oc2ccc(SCC(=O)[O-])cc2)c1 ZINC000832527865 601875439 /nfs/dbraw/zinc/87/54/39/601875439.db2.gz DLYPRTOHFMQBRD-LBPRGKRZSA-N -1 0 346.404 3.581 20 0 EHADRM CSc1ccc(C(=O)Oc2ccc(SCC(=O)[O-])cc2)cc1 ZINC000832774656 601878684 /nfs/dbraw/zinc/87/86/84/601878684.db2.gz VTMUWRPUIFSBHZ-UHFFFAOYSA-N -1 0 334.418 3.804 20 0 EHADRM CCCOc1ccc(NC(=O)C2CCC(NC(=O)[O-])CC2)c(C)c1 ZINC000739363457 601885616 /nfs/dbraw/zinc/88/56/16/601885616.db2.gz ITUPOKOGWRNNQG-UHFFFAOYSA-N -1 0 334.416 3.549 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)c1cc(Cl)ccc1F ZINC000262074773 601902880 /nfs/dbraw/zinc/90/28/80/601902880.db2.gz GAGLLCIGEDCFDC-SMDDNHRTSA-N -1 0 327.783 3.633 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)C1(Cc2ccccc2)CC1 ZINC000833188395 601905828 /nfs/dbraw/zinc/90/58/28/601905828.db2.gz YUNLMFCSOADCIB-SJORKVTESA-N -1 0 329.440 3.549 20 0 EHADRM CSCc1ccc(C(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])cc1 ZINC000537410700 601908437 /nfs/dbraw/zinc/90/84/37/601908437.db2.gz IGRLEYFMMLDZKQ-JKSUJKDBSA-N -1 0 335.469 3.703 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2F)c(Cl)cc1F ZINC000479520070 601909831 /nfs/dbraw/zinc/90/98/31/601909831.db2.gz WIXWZFFKIBMCSL-UHFFFAOYSA-N -1 0 325.698 3.877 20 0 EHADRM COc1ccc(C(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])c(Cl)c1 ZINC000832169891 601911687 /nfs/dbraw/zinc/91/16/87/601911687.db2.gz WGSXZPWWZJQBDB-HIFRSBDPSA-N -1 0 339.819 3.502 20 0 EHADRM Cc1cc(C)c2cc(C(=O)NCc3cccc(C(=O)[O-])c3)sc2n1 ZINC000832874294 601923272 /nfs/dbraw/zinc/92/32/72/601923272.db2.gz GFPHOFJRJFFDSF-UHFFFAOYSA-N -1 0 340.404 3.541 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2cc(Cl)cc3cccnc32)c1 ZINC000344413411 601925946 /nfs/dbraw/zinc/92/59/46/601925946.db2.gz XZRSWDGAZXSYBW-UHFFFAOYSA-N -1 0 340.766 3.516 20 0 EHADRM CC[C@H](c1ccccc1)N(CC)C(=O)C1CCC(NC(=O)[O-])CC1 ZINC000739265612 601927351 /nfs/dbraw/zinc/92/73/51/601927351.db2.gz RJCNNHLGPMTAEX-OFLPRAFFSA-N -1 0 332.444 3.813 20 0 EHADRM Cc1ccc(NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])cc1O ZINC000832948202 601934609 /nfs/dbraw/zinc/93/46/09/601934609.db2.gz WASWEFMKBGCJOC-LLVKDONJSA-N -1 0 331.393 3.518 20 0 EHADRM O=C([O-])c1cccc(C(=O)N[C@@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC000833328670 601940412 /nfs/dbraw/zinc/94/04/12/601940412.db2.gz WVKMQCGSAXQVKQ-MRXNPFEDSA-N -1 0 337.375 3.561 20 0 EHADRM C[C@@H]1C[C@H](C)CN(C(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000828160746 601951739 /nfs/dbraw/zinc/95/17/39/601951739.db2.gz JVHSWTRFRKACDV-AOOOYVTPSA-N -1 0 344.333 3.913 20 0 EHADRM Cn1c2ccccc2nc1[C@@H]1CCCN1Cc1ccc(C(=O)[O-])s1 ZINC000565721081 601960878 /nfs/dbraw/zinc/96/08/78/601960878.db2.gz LWPDVAILFOODGX-HNNXBMFYSA-N -1 0 341.436 3.670 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000261795161 601982578 /nfs/dbraw/zinc/98/25/78/601982578.db2.gz ZIHNDCPAQHNOPY-LJQANCHMSA-N -1 0 340.379 3.807 20 0 EHADRM Cc1cc(Cl)cc(C(=O)Nc2ccc(OCC(=O)[O-])cc2C)c1 ZINC000190948299 601983692 /nfs/dbraw/zinc/98/36/92/601983692.db2.gz SGSUBXWBFPFERZ-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000261734385 601992146 /nfs/dbraw/zinc/99/21/46/601992146.db2.gz SDMXUHQPJYXDRA-LJQANCHMSA-N -1 0 340.379 3.807 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cn1 ZINC000740709657 601997316 /nfs/dbraw/zinc/99/73/16/601997316.db2.gz QEBCVYOSWRPWAS-UHFFFAOYSA-N -1 0 340.166 3.660 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)CCCc2csc3ccccc23)C1 ZINC000237643463 602000049 /nfs/dbraw/zinc/00/00/49/602000049.db2.gz GHUYONNZUCZXDN-GOSISDBHSA-N -1 0 331.437 3.547 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc(OC(F)(F)F)c2)c(F)c1 ZINC000326523850 602000805 /nfs/dbraw/zinc/00/08/05/602000805.db2.gz MTQWELYEDXTTOW-UHFFFAOYSA-N -1 0 343.232 3.675 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)OCc2ccc(C(=O)[O-])s2)s1 ZINC000832911048 602001160 /nfs/dbraw/zinc/00/11/60/602001160.db2.gz JSJSUKIZRCEZJO-UHFFFAOYSA-N -1 0 338.406 3.523 20 0 EHADRM C[C@@H]1CCC[C@@H]1NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000828245863 602002516 /nfs/dbraw/zinc/00/25/16/602002516.db2.gz OIGVAIZHIGTPPC-PELKAZGASA-N -1 0 330.306 3.714 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2ccc(Cl)nc2Cl)s1 ZINC000833316197 602007155 /nfs/dbraw/zinc/00/71/55/602007155.db2.gz ULFGFSFQSHYCRI-UHFFFAOYSA-N -1 0 332.164 3.505 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000827581956 602009267 /nfs/dbraw/zinc/00/92/67/602009267.db2.gz VKQZCXTVKBEZGS-LLVKDONJSA-N -1 0 336.434 3.918 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000829014960 602012130 /nfs/dbraw/zinc/01/21/30/602012130.db2.gz WAPPTGBCNOAQBA-CYBMUJFWSA-N -1 0 334.393 3.656 20 0 EHADRM Cc1nc(-c2cccnc2)nc(Nc2cccc(CC(=O)[O-])c2)c1C ZINC000832993350 602012501 /nfs/dbraw/zinc/01/25/01/602012501.db2.gz UNOUYOBTKOZUCY-UHFFFAOYSA-N -1 0 334.379 3.526 20 0 EHADRM O=C([O-])c1ccc(COC(=O)Cc2coc3cc(F)ccc23)s1 ZINC000833120225 602013154 /nfs/dbraw/zinc/01/31/54/602013154.db2.gz SPVVRFNCQVGVFS-UHFFFAOYSA-N -1 0 334.324 3.618 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cccc(C(F)(F)F)c2F)s1 ZINC000833316325 602013407 /nfs/dbraw/zinc/01/34/07/602013407.db2.gz ZPCXHGXPWZOSQX-UHFFFAOYSA-N -1 0 348.273 3.961 20 0 EHADRM C[C@H]1C[C@H](C)N(C(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000828168373 602017387 /nfs/dbraw/zinc/01/73/87/602017387.db2.gz OLLDQARRYCKXHE-IUCAKERBSA-N -1 0 330.306 3.666 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000738661579 602026307 /nfs/dbraw/zinc/02/63/07/602026307.db2.gz MTUUPHNFIZXDIC-UHFFFAOYSA-N -1 0 338.407 3.871 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)Nc1cc(F)c(F)cc1F ZINC000833152987 602039733 /nfs/dbraw/zinc/03/97/33/602039733.db2.gz IEUVBCXKEYLSDQ-TVQRCGJNSA-N -1 0 344.333 3.649 20 0 EHADRM O=C([O-])NC[C@H]1CCCCN1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000740624558 602046436 /nfs/dbraw/zinc/04/64/36/602046436.db2.gz RFMXERRKVHLMPC-OAHLLOKOSA-N -1 0 349.818 3.617 20 0 EHADRM CC(C)[C@H](NC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000262917960 602057049 /nfs/dbraw/zinc/05/70/49/602057049.db2.gz FGIVSIQUPSMLAM-WMLDXEAASA-N -1 0 338.835 3.543 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000262994475 602061331 /nfs/dbraw/zinc/06/13/31/602061331.db2.gz MDJLNFTTXPOEDA-VQIMIIECSA-N -1 0 348.418 3.563 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2cc3cccc(Cl)c3o2)c1 ZINC000769491849 602067044 /nfs/dbraw/zinc/06/70/44/602067044.db2.gz PHOUNNQZOYBJHN-UHFFFAOYSA-N -1 0 329.739 3.966 20 0 EHADRM CSCc1cc(C(=O)Nc2cccc(CC(=O)[O-])c2)ccc1F ZINC000345869890 602068856 /nfs/dbraw/zinc/06/88/56/602068856.db2.gz UYGQUJLLQPVRFO-UHFFFAOYSA-N -1 0 333.384 3.568 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)CSCc2cccc(Cl)c2)c1 ZINC000238109837 602069510 /nfs/dbraw/zinc/06/95/10/602069510.db2.gz ZGRXVFMQFDOTTQ-UHFFFAOYSA-N -1 0 349.839 3.839 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)CSCc2ccc(Cl)cc2)c1 ZINC000238109747 602070157 /nfs/dbraw/zinc/07/01/57/602070157.db2.gz MEHKXPWNRCFCGT-UHFFFAOYSA-N -1 0 349.839 3.839 20 0 EHADRM CC(C)[C@@H]1c2ccccc2CCN1C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000826748176 602080294 /nfs/dbraw/zinc/08/02/94/602080294.db2.gz XLNHTMOTUKCLKW-XYJFISCASA-N -1 0 329.440 3.659 20 0 EHADRM CC(C)CO[C@H](C)C(=O)O[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000826895067 602082822 /nfs/dbraw/zinc/08/28/22/602082822.db2.gz BJCSVSRMFZLIBT-RNCFNFMXSA-N -1 0 349.210 3.723 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N(Cc1c(Cl)cccc1Cl)C1CC1 ZINC000827247502 602090557 /nfs/dbraw/zinc/09/05/57/602090557.db2.gz NKZMUNTUYLSOME-SECBINFHSA-N -1 0 330.211 3.595 20 0 EHADRM CC(C)c1csc(CNC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)n1 ZINC000827144698 602096247 /nfs/dbraw/zinc/09/62/47/602096247.db2.gz SSAQQQJEUPKYKS-UHFFFAOYSA-N -1 0 348.428 3.702 20 0 EHADRM COc1ccc(Cl)c(NC(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000321230666 602096972 /nfs/dbraw/zinc/09/69/72/602096972.db2.gz RTHJJDNCDPPQKQ-UHFFFAOYSA-N -1 0 334.759 3.620 20 0 EHADRM COc1ccc(C)c2c1N(C(=O)c1ccc(NC(=O)[O-])cc1)CCC2 ZINC000737976121 602099000 /nfs/dbraw/zinc/09/90/00/602099000.db2.gz PCQVPBHCZJVQFI-UHFFFAOYSA-N -1 0 340.379 3.687 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)Nc1ccc(-c2csc(C)n2)cc1 ZINC000739227387 602109479 /nfs/dbraw/zinc/10/94/79/602109479.db2.gz BZLVPDBQLPVPGG-ZUZCIYMTSA-N -1 0 347.440 3.739 20 0 EHADRM CCC[C@](C)(NC(=O)[O-])C(=O)Nc1ccc(-c2csc(C)n2)cc1 ZINC000739303854 602110371 /nfs/dbraw/zinc/11/03/71/602110371.db2.gz RSRMVILJQXRHAG-KRWDZBQOSA-N -1 0 347.440 3.883 20 0 EHADRM O=C([O-])COc1ccc(NCc2cccnc2Cl)c2ccccc12 ZINC000833259708 602116105 /nfs/dbraw/zinc/11/61/05/602116105.db2.gz RXXUOCRKWVAWSZ-UHFFFAOYSA-N -1 0 342.782 3.964 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NCc2nnc(-c3ccccc3)o2)c1 ZINC000833297764 602129500 /nfs/dbraw/zinc/12/95/00/602129500.db2.gz NKEZBUKNZZNVPO-UHFFFAOYSA-N -1 0 329.743 3.700 20 0 EHADRM CCc1oc(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)cc1C ZINC000621564379 602144270 /nfs/dbraw/zinc/14/42/70/602144270.db2.gz HFWOIGJZJWNPTO-UHFFFAOYSA-N -1 0 339.294 3.702 20 0 EHADRM O=C([O-])c1ccc(COc2ccccc2C=Cc2nccc(=O)[nH]2)cc1 ZINC000833314743 602150184 /nfs/dbraw/zinc/15/01/84/602150184.db2.gz KQWMCCBYJKOCOA-KTKRTIGZSA-N -1 0 348.358 3.630 20 0 EHADRM Cc1cc(C)c(-c2csc(NC(=O)[C@@H](C)CC(=O)[O-])n2)cc1C ZINC000832875588 602154734 /nfs/dbraw/zinc/15/47/34/602154734.db2.gz UJSAOIZJHJPDQB-LBPRGKRZSA-N -1 0 332.425 3.785 20 0 EHADRM COc1cc(OC)cc([C@H](Nc2ccc(C)c(Cl)c2)C(=O)[O-])c1 ZINC000832063918 602163030 /nfs/dbraw/zinc/16/30/30/602163030.db2.gz BKSWOWWCSXMHFE-INIZCTEOSA-N -1 0 335.787 3.903 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000740714354 602177867 /nfs/dbraw/zinc/17/78/67/602177867.db2.gz NXRPORATZIANBM-UHFFFAOYSA-N -1 0 338.285 3.977 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2cc(Cl)cc3cccnc32)c1 ZINC000191359833 602184933 /nfs/dbraw/zinc/18/49/33/602184933.db2.gz ZRBZLBFDBRRBAT-UHFFFAOYSA-N -1 0 332.768 3.900 20 0 EHADRM COc1ccc(SCCC(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000683329301 602187299 /nfs/dbraw/zinc/18/72/99/602187299.db2.gz MSOHQYFKWDZMDG-UHFFFAOYSA-N -1 0 337.422 3.576 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000740680946 602203370 /nfs/dbraw/zinc/20/33/70/602203370.db2.gz XJMPMKBVKTVAHO-UHFFFAOYSA-N -1 0 338.285 3.725 20 0 EHADRM CCCC1(CNC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])CCC1 ZINC000236794887 602230557 /nfs/dbraw/zinc/23/05/57/602230557.db2.gz XWRBJFNMTODPGA-ZDUSSCGKSA-N -1 0 335.469 3.952 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)Nc1cccnc1Cl)c1ccccc1 ZINC000826102873 602234022 /nfs/dbraw/zinc/23/40/22/602234022.db2.gz KKUWGNXDXZVCFM-ZDUSSCGKSA-N -1 0 347.802 3.709 20 0 EHADRM C[C@@H]1CCCC[C@H]1NC(=S)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739098356 602234694 /nfs/dbraw/zinc/23/46/94/602234694.db2.gz KENXZRXHXFFCHF-BXUZGUMPSA-N -1 0 333.457 3.592 20 0 EHADRM COc1cccc(NC(=S)Nc2ccc3c(c2)CCN3C(=O)[O-])c1 ZINC000739953056 602235257 /nfs/dbraw/zinc/23/52/57/602235257.db2.gz PCGUCVLMVLBEAD-UHFFFAOYSA-N -1 0 343.408 3.545 20 0 EHADRM C[C@@H](NC(=O)c1ccc(CNC(=O)[O-])cc1)C(C)(C)c1ccccc1 ZINC000739025975 602241199 /nfs/dbraw/zinc/24/11/99/602241199.db2.gz WCUWUCMKUXTZMR-CQSZACIVSA-N -1 0 340.423 3.550 20 0 EHADRM Cc1ccc(SCC(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])cc1 ZINC000740151313 602242620 /nfs/dbraw/zinc/24/26/20/602242620.db2.gz ZAVTWPZKLVFXQS-UHFFFAOYSA-N -1 0 342.420 3.766 20 0 EHADRM CCCC[C@H](Sc1nnc(-c2cccc(Cl)c2)n1C)C(=O)[O-] ZINC000829296338 602243372 /nfs/dbraw/zinc/24/33/72/602243372.db2.gz QYLHQBAKUXUZMH-LBPRGKRZSA-N -1 0 339.848 3.871 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)c3ccc(F)cc3Cl)ccc21 ZINC000740471644 602243447 /nfs/dbraw/zinc/24/34/47/602243447.db2.gz YHPMHVHESJAHEN-UHFFFAOYSA-N -1 0 334.734 3.772 20 0 EHADRM CN(Cc1cccc(NC(=O)c2ccc(C(F)F)cc2)c1)C(=O)[O-] ZINC000739714469 602245786 /nfs/dbraw/zinc/24/57/86/602245786.db2.gz VYQXQUGIVPQCCO-UHFFFAOYSA-N -1 0 334.322 3.986 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000827873755 602264872 /nfs/dbraw/zinc/26/48/72/602264872.db2.gz NYJFIHOWKGRTFR-BLLLJJGKSA-N -1 0 338.375 3.623 20 0 EHADRM Cc1cccc(C2(NC(=O)C3CCC(NC(=O)[O-])CC3)CCCC2)c1 ZINC000740165843 602267183 /nfs/dbraw/zinc/26/71/83/602267183.db2.gz IUNYDNLSZIAQKK-UHFFFAOYSA-N -1 0 344.455 3.707 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])c1cccs1 ZINC000738988883 602281031 /nfs/dbraw/zinc/28/10/31/602281031.db2.gz PGZIXABWDIXMSJ-SNVBAGLBSA-N -1 0 331.397 3.671 20 0 EHADRM C[C@H](CC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])c1ccccc1F ZINC000738890362 602289779 /nfs/dbraw/zinc/28/97/79/602289779.db2.gz IGEBFIVDEIIKQQ-GFCCVEGCSA-N -1 0 342.370 3.999 20 0 EHADRM COc1ccc(NC(=O)c2ccc(C)c(Cl)c2)cc1NC(=O)[O-] ZINC000739924059 602293134 /nfs/dbraw/zinc/29/31/34/602293134.db2.gz OVJYFGXHOPTCHY-UHFFFAOYSA-N -1 0 334.759 3.999 20 0 EHADRM Cc1ccc(C(C)(C)CNC(=O)Cc2ccc(NC(=O)[O-])cc2)cc1 ZINC000740110005 602296096 /nfs/dbraw/zinc/29/60/96/602296096.db2.gz LWYXNDQAIXFAQR-UHFFFAOYSA-N -1 0 340.423 3.721 20 0 EHADRM Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000191369349 602296125 /nfs/dbraw/zinc/29/61/25/602296125.db2.gz WTXSYKLXTNHBIU-UHFFFAOYSA-N -1 0 341.392 3.501 20 0 EHADRM C[C@H](CC(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1)c1ccncc1 ZINC000827226659 602296168 /nfs/dbraw/zinc/29/61/68/602296168.db2.gz OLTJEYJMMFIRIT-MLGOLLRUSA-N -1 0 346.814 3.561 20 0 EHADRM O=C([O-])c1ccc(NCc2ncc(-c3ccc(F)cc3)o2)cc1F ZINC000833320902 602304269 /nfs/dbraw/zinc/30/42/69/602304269.db2.gz YZCONJWVUCMZFF-UHFFFAOYSA-N -1 0 330.290 3.930 20 0 EHADRM CCOc1cc(Cl)ccc1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000180130062 602324068 /nfs/dbraw/zinc/32/40/68/602324068.db2.gz XOWCLWYKGYSKBX-WDEREUQCSA-N -1 0 325.792 3.568 20 0 EHADRM CC[C@H](Cc1ccccc1)N(CC)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000499166683 602329265 /nfs/dbraw/zinc/32/92/65/602329265.db2.gz FKCAOJINDMRVQW-RCCFBDPRSA-N -1 0 331.456 3.747 20 0 EHADRM C[C@H](NC(=O)[C@H](NC(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC000739023340 602340935 /nfs/dbraw/zinc/34/09/35/602340935.db2.gz ZRTISVCHAOMRFV-XHDPSFHLSA-N -1 0 332.787 3.526 20 0 EHADRM CC(C)c1ccc([C@H](C)NC(=O)C2CCC(NC(=O)[O-])CC2)cc1 ZINC000738876134 602341227 /nfs/dbraw/zinc/34/12/27/602341227.db2.gz JKIWZJQXYHKAJA-IGEOTXOUSA-N -1 0 332.444 3.814 20 0 EHADRM O=C([O-])c1ccc(CN2CCCC[C@H]2c2nc3ccccc3o2)o1 ZINC000833313047 602342528 /nfs/dbraw/zinc/34/25/28/602342528.db2.gz MRXZMSYPQFAJQY-AWEZNQCLSA-N -1 0 326.352 3.846 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)[C@@H]3CCSC3)ccc2n1C1CC1 ZINC000832851539 602347216 /nfs/dbraw/zinc/34/72/16/602347216.db2.gz TTYGCURMXQHIGB-LLVKDONJSA-N -1 0 345.420 3.641 20 0 EHADRM CC(C)C[C@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000826832289 602351036 /nfs/dbraw/zinc/35/10/36/602351036.db2.gz OLQNWCXUUJIUPU-LLVKDONJSA-N -1 0 340.370 3.953 20 0 EHADRM CCSc1ccc([C@@H](C)NC(=O)C2(NC(=O)[O-])CCCC2)cc1 ZINC000739516562 602353125 /nfs/dbraw/zinc/35/31/25/602353125.db2.gz GLAADIXFRDGNLK-GFCCVEGCSA-N -1 0 336.457 3.556 20 0 EHADRM Cn1cc(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000833048159 602360951 /nfs/dbraw/zinc/36/09/51/602360951.db2.gz DEEHOYIIHNRYPV-AWEZNQCLSA-N -1 0 347.802 3.746 20 0 EHADRM C[C@@H](NC(=O)Nc1cc(C(=O)[O-])n(C)c1)c1csc2ccccc21 ZINC000827671753 602362569 /nfs/dbraw/zinc/36/25/69/602362569.db2.gz JVARHEFVVMNOFY-SNVBAGLBSA-N -1 0 343.408 3.821 20 0 EHADRM CC[C@H](C)N(Cc1ccccc1)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000828753139 602366420 /nfs/dbraw/zinc/36/64/20/602366420.db2.gz GPGSCDHYKMBKSE-ZDUSSCGKSA-N -1 0 329.400 3.556 20 0 EHADRM CC[C@H](NC(=O)[O-])C(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl ZINC000739517968 602378059 /nfs/dbraw/zinc/37/80/59/602378059.db2.gz BJBQXJIOLMLQIF-PELKAZGASA-N -1 0 333.215 3.559 20 0 EHADRM Cc1cccc(CC2CN(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)C2)c1 ZINC000832968842 602378670 /nfs/dbraw/zinc/37/86/70/602378670.db2.gz GYWYVWIANJVZOU-UHFFFAOYSA-N -1 0 342.370 3.539 20 0 EHADRM Cc1cnc([C@H](NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)C2CC2)s1 ZINC000832985308 602381735 /nfs/dbraw/zinc/38/17/35/602381735.db2.gz BPGBXIRCSZOEIK-CYBMUJFWSA-N -1 0 349.387 3.562 20 0 EHADRM CCS[C@H]1CCCCN(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000830164409 602384296 /nfs/dbraw/zinc/38/42/96/602384296.db2.gz VZJIEWQXOQBFTL-LBPRGKRZSA-N -1 0 340.420 3.663 20 0 EHADRM C[C@H](c1ccco1)N(C(=O)Nc1ccc(C(=O)[O-])c(F)c1)C1CC1 ZINC000827956542 602385628 /nfs/dbraw/zinc/38/56/28/602385628.db2.gz HXLDXLUBCPNCPD-SNVBAGLBSA-N -1 0 332.331 3.874 20 0 EHADRM C[C@H](CCNC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000325708600 602386504 /nfs/dbraw/zinc/38/65/04/602386504.db2.gz KZSCINBRQDRTLB-GFCCVEGCSA-N -1 0 330.359 3.839 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)C3(NC(=O)[O-])CCCC3)ccc2o1 ZINC000738728508 602389250 /nfs/dbraw/zinc/38/92/50/602389250.db2.gz QNHUIRKFAWTUHB-UHFFFAOYSA-N -1 0 345.399 3.644 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2SCCc3sccc32)cc1F ZINC000767207092 602393937 /nfs/dbraw/zinc/39/39/37/602393937.db2.gz ZKQCTHRHLIUFJK-CYBMUJFWSA-N -1 0 337.397 3.555 20 0 EHADRM Cn1cc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)c(C2CCCCC2)n1 ZINC000776647368 602394108 /nfs/dbraw/zinc/39/41/08/602394108.db2.gz MCBWOQYRBJXSFG-UHFFFAOYSA-N -1 0 345.374 3.557 20 0 EHADRM O=C([O-])Nc1ccc(Cc2nc(Cc3ccccc3Cl)no2)cc1 ZINC000740703134 602406873 /nfs/dbraw/zinc/40/68/73/602406873.db2.gz ASHURZSZOUYBDV-UHFFFAOYSA-N -1 0 343.770 3.995 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(Cc2cccc(OC(C)C)c2)n1 ZINC000738823712 602407234 /nfs/dbraw/zinc/40/72/34/602407234.db2.gz MZARSEUMPRNSFN-OAHLLOKOSA-N -1 0 347.415 3.802 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc([C@H]2C[C@@H]2c2ccc(F)cc2)n1 ZINC000738814513 602409416 /nfs/dbraw/zinc/40/94/16/602409416.db2.gz CLCNRBNARZVCBT-RDBSUJKOSA-N -1 0 333.363 3.835 20 0 EHADRM COc1ccccc1[C@@H](C)Cc1nc([C@@H](CC(C)C)NC(=O)[O-])no1 ZINC000739960917 602409959 /nfs/dbraw/zinc/40/99/59/602409959.db2.gz QYHFAMKECFSLPN-GXTWGEPZSA-N -1 0 347.415 3.779 20 0 EHADRM O=C([O-])NCc1ccc(-c2nc(Cc3ccc(Cl)cc3)no2)cc1 ZINC000740671844 602415629 /nfs/dbraw/zinc/41/56/29/602415629.db2.gz WJKMIXVZSBTACZ-UHFFFAOYSA-N -1 0 343.770 3.748 20 0 EHADRM Cc1ccc2c(Cc3nc(C4(NC(=O)[O-])CCC4)no3)coc2c1C ZINC000740152045 602416570 /nfs/dbraw/zinc/41/65/70/602416570.db2.gz BAEAVBHXTFIUNC-UHFFFAOYSA-N -1 0 341.367 3.670 20 0 EHADRM COc1ccc(S[C@H](C)c2nc(C3(NC(=O)[O-])CCC3)no2)cc1 ZINC000739932961 602418397 /nfs/dbraw/zinc/41/83/97/602418397.db2.gz ORTNKDHUWWENRY-SNVBAGLBSA-N -1 0 349.412 3.578 20 0 EHADRM C[C@H](NC(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccccc1Cl ZINC000738992111 602451457 /nfs/dbraw/zinc/45/14/57/602451457.db2.gz YDRGTKGLAQAEHR-NSHDSACASA-N -1 0 347.802 3.990 20 0 EHADRM CCc1ccccc1NC(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000739548372 602456233 /nfs/dbraw/zinc/45/62/33/602456233.db2.gz QXZBTWCLVUBWQP-QGZVFWFLSA-N -1 0 326.396 3.977 20 0 EHADRM CC(=O)c1ccccc1NC(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000738603062 602457077 /nfs/dbraw/zinc/45/70/77/602457077.db2.gz SKIPEPYUVVUKOC-MRXNPFEDSA-N -1 0 340.379 3.617 20 0 EHADRM Cc1cc(C)c(NC(=O)N2CCC([C@H](C)NC(=O)[O-])CC2)c(C)c1 ZINC000740064860 602464648 /nfs/dbraw/zinc/46/46/48/602464648.db2.gz BVHMARUCLDWNPR-AWEZNQCLSA-N -1 0 333.432 3.512 20 0 EHADRM O=C([O-])NC[C@H](NC(=O)c1cccc(C(F)F)c1)C1CCCCC1 ZINC000740610478 602484760 /nfs/dbraw/zinc/48/47/60/602484760.db2.gz GDFSYTNDSNGHSL-AWEZNQCLSA-N -1 0 340.370 3.571 20 0 EHADRM CCN(Cc1cccc(NC(=O)c2ncoc2C(C)C)c1)C(=O)[O-] ZINC000739448854 602493063 /nfs/dbraw/zinc/49/30/63/602493063.db2.gz ZSULLOUJDYKUFO-UHFFFAOYSA-N -1 0 331.372 3.550 20 0 EHADRM CSc1ccsc1C(=O)NCC1(NC(=O)[O-])CCCCCC1 ZINC000740021997 602498551 /nfs/dbraw/zinc/49/85/51/602498551.db2.gz ZSYGVKHRIYAAEZ-UHFFFAOYSA-N -1 0 342.486 3.560 20 0 EHADRM CC(C)c1cccc(OCC(=O)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000738878062 602502703 /nfs/dbraw/zinc/50/27/03/602502703.db2.gz VHIWRVCUCRAVSC-UHFFFAOYSA-N -1 0 328.368 3.917 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2csc(-c3ccccn3)n2)cc1 ZINC000740711886 602504657 /nfs/dbraw/zinc/50/46/57/602504657.db2.gz PJAGTMGLHNWXMY-UHFFFAOYSA-N -1 0 340.364 3.547 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)Cc3ccccc3Cl)ccc21 ZINC000740384919 602506415 /nfs/dbraw/zinc/50/64/15/602506415.db2.gz RERFAOYXNDTCNF-UHFFFAOYSA-N -1 0 344.798 3.952 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)c3ccc4ncccc4c3)ccc21 ZINC000740471863 602509699 /nfs/dbraw/zinc/50/96/99/602509699.db2.gz NCSJZEPAWXNXJQ-UHFFFAOYSA-N -1 0 347.374 3.918 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2cc(-c3ccccc3)[nH]n2)ccc1F ZINC000740698178 602547239 /nfs/dbraw/zinc/54/72/39/602547239.db2.gz NJFXUVWDHXKPCT-UHFFFAOYSA-N -1 0 340.314 3.558 20 0 EHADRM Cc1ccc(C)c(NC(=O)N2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)c1 ZINC000740116745 602579652 /nfs/dbraw/zinc/57/96/52/602579652.db2.gz XQBGMGGOVOQAOP-WBVHZDCISA-N -1 0 345.443 3.690 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(NC(=O)[O-])cc1)c1nc(C)cs1 ZINC000736915173 602598838 /nfs/dbraw/zinc/59/88/38/602598838.db2.gz ZDWCQEUCATWRCU-LBPRGKRZSA-N -1 0 334.401 3.814 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NCc2ccc(F)c(Cl)c2)cc1 ZINC000738665506 602599345 /nfs/dbraw/zinc/59/93/45/602599345.db2.gz OJCQJARBVSGMMQ-UHFFFAOYSA-N -1 0 337.738 3.891 20 0 EHADRM C[C@H](CNC(=O)[O-])N(C)C(=O)Nc1ccc(-c2ccccc2)cc1F ZINC000738930099 602599704 /nfs/dbraw/zinc/59/97/04/602599704.db2.gz LUKMMVHVYDHBBW-GFCCVEGCSA-N -1 0 345.374 3.613 20 0 EHADRM COc1cccc([C@H](C)NC(=O)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000739945229 602601042 /nfs/dbraw/zinc/60/10/42/602601042.db2.gz IVHTTZQUDIHQSW-NSHDSACASA-N -1 0 329.356 3.668 20 0 EHADRM CC(C)Oc1ccc(CNC(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738867805 602601375 /nfs/dbraw/zinc/60/13/75/602601375.db2.gz WQXZUZYWXRYTTQ-UHFFFAOYSA-N -1 0 343.383 3.885 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NCCc2ccccc2Cl)cc1 ZINC000740710724 602601428 /nfs/dbraw/zinc/60/14/28/602601428.db2.gz KBZAINJUFQZWJZ-UHFFFAOYSA-N -1 0 333.775 3.794 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NCCSCc2ccccc2)cc1 ZINC000740711272 602603068 /nfs/dbraw/zinc/60/30/68/602603068.db2.gz WBULZBIHHVXLPI-UHFFFAOYSA-N -1 0 345.424 3.831 20 0 EHADRM Cc1occc1CN(C)C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000740271093 602605350 /nfs/dbraw/zinc/60/53/50/602605350.db2.gz BLNDLIXAZICBJR-UHFFFAOYSA-N -1 0 343.383 3.683 20 0 EHADRM Cc1cc(C(=O)N2CCCc3cc(CNC(=O)[O-])ccc32)sc1C ZINC000740056296 602647369 /nfs/dbraw/zinc/64/73/69/602647369.db2.gz WFDFYJVLEZPAIX-UHFFFAOYSA-N -1 0 344.436 3.726 20 0 EHADRM O=C([O-])N1CCC(CSc2nnc(-c3ccccc3)s2)CC1 ZINC000740502443 602673360 /nfs/dbraw/zinc/67/33/60/602673360.db2.gz SWFIJPROKQBCKE-UHFFFAOYSA-N -1 0 335.454 3.687 20 0 EHADRM COc1cc(NC(=O)c2ccccc2OC(C)C)ccc1NC(=O)[O-] ZINC000739869974 602673680 /nfs/dbraw/zinc/67/36/80/602673680.db2.gz QQBRENIZHDGYHE-UHFFFAOYSA-N -1 0 344.367 3.825 20 0 EHADRM CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000739296281 602689496 /nfs/dbraw/zinc/68/94/96/602689496.db2.gz OVHHYJASVUSEEZ-GOSISDBHSA-N -1 0 343.383 3.639 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739262300 602713935 /nfs/dbraw/zinc/71/39/35/602713935.db2.gz ZLYAEFMMQJIQJW-MRXNPFEDSA-N -1 0 326.396 3.662 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)Oc1cccc(CNC(=O)[O-])c1 ZINC000739053342 602729015 /nfs/dbraw/zinc/72/90/15/602729015.db2.gz CKHUHDFBQCMBRN-ZDUSSCGKSA-N -1 0 345.420 3.682 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)Oc1cccc(CNC(=O)[O-])c1 ZINC000739956340 602730565 /nfs/dbraw/zinc/73/05/65/602730565.db2.gz DHZNXNCZULEDKW-ZDUSSCGKSA-N -1 0 343.379 3.562 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)NC/C=C/c3ccccc3)ccc21 ZINC000740416659 602739506 /nfs/dbraw/zinc/73/95/06/602739506.db2.gz MVDPCBVFSYEBNM-QPJJXVBHSA-N -1 0 337.379 3.562 20 0 EHADRM CCc1cccc(CC)c1NC(=S)N[C@H]1CCCCN(C(=O)[O-])C1 ZINC000739542502 602749279 /nfs/dbraw/zinc/74/92/79/602749279.db2.gz SBWDJVWPEFCVJS-HNNXBMFYSA-N -1 0 349.500 3.630 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)Nc1ccccc1CN(CC)C(=O)[O-] ZINC000739278276 602749959 /nfs/dbraw/zinc/74/99/59/602749959.db2.gz MVWZSXVZPBLBFS-KRWDZBQOSA-N -1 0 348.443 3.863 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)Nc1ccc2[nH]ccc2c1)c1ccccc1 ZINC000740541103 602776692 /nfs/dbraw/zinc/77/66/92/602776692.db2.gz WHHIVOXRHVASQZ-QGZVFWFLSA-N -1 0 337.379 3.896 20 0 EHADRM CCOc1ccc([C@@H]2CCCN2C(=O)CCC(C)(C)NC(=O)[O-])cc1 ZINC000739498846 602786154 /nfs/dbraw/zinc/78/61/54/602786154.db2.gz UFCJCBCZOMDGDO-INIZCTEOSA-N -1 0 348.443 3.575 20 0 EHADRM CC(C)(CCC(=O)Nc1ccc(OC2CCCC2)cc1)NC(=O)[O-] ZINC000738744027 602789042 /nfs/dbraw/zinc/78/90/42/602789042.db2.gz MOPUBKYWBWKXFY-UHFFFAOYSA-N -1 0 334.416 3.773 20 0 EHADRM Cc1cc2cc(C(=O)N[C@H](C)[C@@H]3CCCN(C(=O)[O-])C3)oc2cc1C ZINC000830143606 602802105 /nfs/dbraw/zinc/80/21/05/602802105.db2.gz KDVDYDMITZRTNX-ZIAGYGMSSA-N -1 0 344.411 3.558 20 0 EHADRM Cc1cc(-c2csc(CN(C)C(=O)[O-])n2)c(C)n1Cc1ccco1 ZINC000740048387 602810970 /nfs/dbraw/zinc/81/09/70/602810970.db2.gz KPWSTTXFVMZBLZ-UHFFFAOYSA-N -1 0 345.424 3.980 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2ccc(F)cc2OC(F)F)c1 ZINC000740034658 602814971 /nfs/dbraw/zinc/81/49/71/602814971.db2.gz YZKCLCDEKHLLDJ-UHFFFAOYSA-N -1 0 340.257 3.769 20 0 EHADRM C[C@@H]1c2c(F)cccc2CCN1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736839026 602816103 /nfs/dbraw/zinc/81/61/03/602816103.db2.gz XADRBAJNQZFNRJ-LLVKDONJSA-N -1 0 328.343 3.675 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)N2CCC[C@@H](CN(C)C(=O)[O-])C2)cc1 ZINC000739545092 602825891 /nfs/dbraw/zinc/82/58/91/602825891.db2.gz QACQQUAAGDYRIM-RDJZCZTQSA-N -1 0 346.471 3.591 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N2CCC(CNC(=O)[O-])CC2)cc1 ZINC000738875891 602827806 /nfs/dbraw/zinc/82/78/06/602827806.db2.gz HGMPLQRZFWAJES-OAHLLOKOSA-N -1 0 346.471 3.810 20 0 EHADRM CC[C@@H](CC(=O)N1CCC([C@@H](C)NC(=O)[O-])CC1)c1ccc(C)cc1 ZINC000739249218 602834786 /nfs/dbraw/zinc/83/47/86/602834786.db2.gz LNXIAQZOZCQIAL-CVEARBPZSA-N -1 0 346.471 3.773 20 0 EHADRM Cc1ccc(C[C@@H]2CCCN2C(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000738590034 602844990 /nfs/dbraw/zinc/84/49/90/602844990.db2.gz YWFGHZKMCJBGGW-SFHVURJKSA-N -1 0 338.407 3.932 20 0 EHADRM CCC[C@H](CC1CCCCC1)C(=O)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737804117 602848576 /nfs/dbraw/zinc/84/85/76/602848576.db2.gz VEUUJMGDEHXTHF-MRXNPFEDSA-N -1 0 338.492 3.974 20 0 EHADRM C[C@H](C(=O)N1CCC[C@@H]1C(C)(C)C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823668172 602856338 /nfs/dbraw/zinc/85/63/38/602856338.db2.gz CDTMVTKYPDMJQT-NUEKZKHPSA-N -1 0 332.444 3.669 20 0 EHADRM C[C@H](CC(=O)c1ccccc1F)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000824744538 602856577 /nfs/dbraw/zinc/85/65/77/602856577.db2.gz ZNELWRSNHGBJIG-LLVKDONJSA-N -1 0 344.342 3.763 20 0 EHADRM C[C@@H](CCNC(=O)c1ccccc1Sc1ccccc1)NC(=O)[O-] ZINC000738902720 602876759 /nfs/dbraw/zinc/87/67/59/602876759.db2.gz DVSADJKHMCBZOL-ZDUSSCGKSA-N -1 0 344.436 3.614 20 0 EHADRM C[C@H](CC(=O)Oc1cccc(CNC(=O)[O-])c1)c1cccc(F)c1 ZINC000738893214 602878257 /nfs/dbraw/zinc/87/82/57/602878257.db2.gz BKKFDYHXQFFCHS-GFCCVEGCSA-N -1 0 331.343 3.693 20 0 EHADRM CC(C)[C@H](C(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccccc1 ZINC000824054890 602905181 /nfs/dbraw/zinc/90/51/81/602905181.db2.gz DCPZHVGCMTWJBV-KRWDZBQOSA-N -1 0 326.396 3.833 20 0 EHADRM CCCCc1ccc(NC(=S)NC2CCC(NC(=O)[O-])CC2)cc1 ZINC000739340706 602931023 /nfs/dbraw/zinc/93/10/23/602931023.db2.gz GRZKCPQXSZVZQH-UHFFFAOYSA-N -1 0 349.500 3.894 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cccc(Cl)c2Cl)C[C@H](C)N1C(=O)[O-] ZINC000739149013 602939657 /nfs/dbraw/zinc/93/96/57/602939657.db2.gz YUUHNIUYUQBEGN-IUCAKERBSA-N -1 0 346.214 3.598 20 0 EHADRM C[C@H](CC(=O)Nc1ccccc1O[C@H](C)c1ccccc1)NC(=O)[O-] ZINC000824703462 602944990 /nfs/dbraw/zinc/94/49/90/602944990.db2.gz LLVYJIJRZRQURV-ZIAGYGMSSA-N -1 0 342.395 3.811 20 0 EHADRM C[C@@H](NC(=O)CC(C)(C)NC(=O)[O-])c1cc(Cl)ccc1Cl ZINC000738958941 602949849 /nfs/dbraw/zinc/94/98/49/602949849.db2.gz PUTCZQAHVRULPR-MRVPVSSYSA-N -1 0 333.215 3.607 20 0 EHADRM C[C@H](C(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823654226 602951571 /nfs/dbraw/zinc/95/15/71/602951571.db2.gz HTKKORABLBJHER-SRIISGBFSA-N -1 0 344.455 3.811 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)cc1 ZINC000738666290 602958049 /nfs/dbraw/zinc/95/80/49/602958049.db2.gz DPGPTKYMOGANGL-TZMCWYRMSA-N -1 0 333.290 3.764 20 0 EHADRM Cc1ccc(-c2ocnc2C(=O)Oc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738250876 602963533 /nfs/dbraw/zinc/96/35/33/602963533.db2.gz TURYFTXUURGDAD-UHFFFAOYSA-N -1 0 338.319 3.959 20 0 EHADRM Cn1c(Cl)c(Cl)cc1C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000738400059 602964970 /nfs/dbraw/zinc/96/49/70/602964970.db2.gz HIEIIXUPAHLXPE-UHFFFAOYSA-N -1 0 329.139 3.641 20 0 EHADRM C[C@H]1CN(C(=O)CCCCCCNC(=O)[O-])CC[C@H]1c1ccccc1 ZINC000739125532 602983119 /nfs/dbraw/zinc/98/31/19/602983119.db2.gz AQMURHAVNIBSBK-FUHWJXTLSA-N -1 0 346.471 3.857 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)c2ccc(CNC(=O)[O-])o2)c1C ZINC000830492471 602987835 /nfs/dbraw/zinc/98/78/35/602987835.db2.gz ICEFVBMVBPDXRD-MRXNPFEDSA-N -1 0 342.395 3.641 20 0 EHADRM Cc1ccc(C(=O)N2C[C@@H](C)Oc3cc(F)ccc32)cc1NC(=O)[O-] ZINC000830188021 602999170 /nfs/dbraw/zinc/99/91/70/602999170.db2.gz URYXKGPCIAJRTH-LLVKDONJSA-N -1 0 344.342 3.652 20 0 EHADRM CC(C)C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccccc1 ZINC000738804712 602999290 /nfs/dbraw/zinc/99/92/90/602999290.db2.gz JOURQMHXYOCVMV-FBVQUNGASA-N -1 0 344.455 3.606 20 0 EHADRM Cc1cnc([C@H](NC(=O)c2ccc(C)c(NC(=O)[O-])c2)C2CC2)s1 ZINC000830626265 602999629 /nfs/dbraw/zinc/99/96/29/602999629.db2.gz ZKIXNIYGCHIHED-CQSZACIVSA-N -1 0 345.424 3.731 20 0 EHADRM O=C([O-])Nc1cc(C(=O)NCC2(c3cccc(F)c3)CC2)ccc1F ZINC000740695652 603007780 /nfs/dbraw/zinc/00/77/80/603007780.db2.gz KWBCNIBQWCAOHW-UHFFFAOYSA-N -1 0 346.333 3.516 20 0 EHADRM C[C@@H](Oc1ccccc1Cl)c1nc([C@@H](C)CN(C)C(=O)[O-])no1 ZINC000738908164 603009311 /nfs/dbraw/zinc/00/93/11/603009311.db2.gz NKXZMZSZDRNXEA-VHSXEESVSA-N -1 0 339.779 3.576 20 0 EHADRM CC(C)c1cnc(NC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c2ccccc2)s1 ZINC000824476004 603010436 /nfs/dbraw/zinc/01/04/36/603010436.db2.gz FMGGMPQPOMVSEO-SMDDNHRTSA-N -1 0 347.440 3.850 20 0 EHADRM Cc1cccc([C@H]2CCCCCN2C(=O)C2CCN(C(=O)[O-])CC2)c1 ZINC000738309451 603017745 /nfs/dbraw/zinc/01/77/45/603017745.db2.gz YWHZAQNFVCKPFH-GOSISDBHSA-N -1 0 344.455 3.829 20 0 EHADRM CN(CCOc1ccccc1Cl)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000737450061 603026570 /nfs/dbraw/zinc/02/65/70/603026570.db2.gz YIGDIARRBYSXBB-UHFFFAOYSA-N -1 0 348.786 3.581 20 0 EHADRM COc1ccc([C@H](C)NC(=O)Nc2cc(NC(=O)[O-])ccc2F)cc1 ZINC000739893932 603035740 /nfs/dbraw/zinc/03/57/40/603035740.db2.gz CWQKJVNJHNMDNA-JTQLQIEISA-N -1 0 347.346 3.807 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)c2cccc(OC(F)F)c2)cc1 ZINC000827914319 603037615 /nfs/dbraw/zinc/03/76/15/603037615.db2.gz NTDCYIRZYNVNDV-UHFFFAOYSA-N -1 0 337.278 3.621 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)c1 ZINC000740707394 603039997 /nfs/dbraw/zinc/03/99/97/603039997.db2.gz PDSAIJMATGVURF-TZMCWYRMSA-N -1 0 347.321 3.732 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)N[C@H](CNC(=O)[O-])C1CC1 ZINC000738759908 603040242 /nfs/dbraw/zinc/04/02/42/603040242.db2.gz MLFGXJRYOYDBLL-OAHLLOKOSA-N -1 0 348.468 3.521 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)CCOc2ccccc2Cl)cc1 ZINC000827908461 603040701 /nfs/dbraw/zinc/04/07/01/603040701.db2.gz MFZBMBUYZCSCHA-UHFFFAOYSA-N -1 0 349.770 3.829 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N(Cc2cccnc2)C2CC2)c1 ZINC000740704254 603041491 /nfs/dbraw/zinc/04/14/91/603041491.db2.gz ACRCDJRXYXBSMF-UHFFFAOYSA-N -1 0 344.346 3.507 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)[C@@H]2CSc3ccccc32)cc1 ZINC000827908074 603042878 /nfs/dbraw/zinc/04/28/78/603042878.db2.gz IKERBALRCTWPEA-CQSZACIVSA-N -1 0 329.377 3.596 20 0 EHADRM Cc1ccc(C(C)(C)CN(C)C(=O)CC2CCN(C(=O)[O-])CC2)cc1 ZINC000740108681 603043160 /nfs/dbraw/zinc/04/31/60/603043160.db2.gz ANLQLJRACHQHHP-UHFFFAOYSA-N -1 0 346.471 3.511 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000825024457 603048821 /nfs/dbraw/zinc/04/88/21/603048821.db2.gz SIGZUHOIEZFPSU-LBPRGKRZSA-N -1 0 331.343 3.724 20 0 EHADRM C[C@@H](NC(=O)[C@H](CNC(=O)[O-])c1ccccc1)c1ccccc1Cl ZINC000738954483 603079652 /nfs/dbraw/zinc/07/96/52/603079652.db2.gz XIMYMCFTBHGYOD-IUODEOHRSA-N -1 0 346.814 3.569 20 0 EHADRM CO[C@@H](CNC(=O)c1ccc(NC(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000828850018 603098360 /nfs/dbraw/zinc/09/83/60/603098360.db2.gz ZTBMDRIFWHMJGE-HNNXBMFYSA-N -1 0 348.786 3.547 20 0 EHADRM CCCc1nc(CNc2ccc(NC(=O)[O-])cc2C(F)(F)F)no1 ZINC000739378919 603102331 /nfs/dbraw/zinc/10/23/31/603102331.db2.gz MIDOUSQLBITXBX-UHFFFAOYSA-N -1 0 344.293 3.743 20 0 EHADRM CC[C@@H]1CCCN(C(=O)Nc2cccc(CN(CC)C(=O)[O-])c2)C1 ZINC000739266591 603142330 /nfs/dbraw/zinc/14/23/30/603142330.db2.gz GLKJYSIIAVAANO-CQSZACIVSA-N -1 0 333.432 3.840 20 0 EHADRM CC(C)[C@@H](NC(=O)COc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000737609621 603157146 /nfs/dbraw/zinc/15/71/46/603157146.db2.gz HRSJJEJZJBDSGF-GOSISDBHSA-N -1 0 342.395 3.669 20 0 EHADRM Cc1ccc(-c2nnc(COc3ccc(N(C)C(=O)[O-])cc3)o2)cc1 ZINC000830159085 603160199 /nfs/dbraw/zinc/16/01/99/603160199.db2.gz CRDKCLKFQBNGGL-UHFFFAOYSA-N -1 0 339.351 3.738 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)Cc1cc(-c2ccccc2)on1 ZINC000740713945 603170179 /nfs/dbraw/zinc/17/01/79/603170179.db2.gz FOMHQBDXAQHEQU-UHFFFAOYSA-N -1 0 337.335 3.613 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCC(c3ccccc3F)CC2)cc1 ZINC000738662048 603181360 /nfs/dbraw/zinc/18/13/60/603181360.db2.gz QLIVOZXBOOPNRJ-UHFFFAOYSA-N -1 0 342.370 3.935 20 0 EHADRM Cc1ccc(OCC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1C ZINC000830407768 603182093 /nfs/dbraw/zinc/18/20/93/603182093.db2.gz VCYZYXKCEFBYSA-CQSZACIVSA-N -1 0 342.395 3.650 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1 ZINC000825442876 603191968 /nfs/dbraw/zinc/19/19/68/603191968.db2.gz SAOWFZUMMVUIMQ-SNVBAGLBSA-N -1 0 341.342 3.888 20 0 EHADRM CC(C)(NC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1)c1cccc(Cl)c1 ZINC000738752864 603209949 /nfs/dbraw/zinc/20/99/49/603209949.db2.gz OMMUGICHMXIGJV-SMDDNHRTSA-N -1 0 338.835 3.518 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCc3sccc3C2)c(Cl)c1 ZINC000740697683 603211770 /nfs/dbraw/zinc/21/17/70/603211770.db2.gz HCRPDTGDWIUTAY-UHFFFAOYSA-N -1 0 336.800 3.690 20 0 EHADRM Cc1nc(COC(=O)c2ccc(NC(=O)[O-])cc2Cl)cs1 ZINC000740223697 603212267 /nfs/dbraw/zinc/21/22/67/603212267.db2.gz LNKAUAAPNRRHRV-UHFFFAOYSA-N -1 0 326.761 3.552 20 0 EHADRM CCc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(NC(=O)[O-])cc2)s1 ZINC000737282302 603213575 /nfs/dbraw/zinc/21/35/75/603213575.db2.gz WRSFSOQKGYJUHE-NSHDSACASA-N -1 0 347.440 3.937 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc(CNC(=O)[O-])cc2)o1 ZINC000740118759 603218950 /nfs/dbraw/zinc/21/89/50/603218950.db2.gz QYWRKOASDNRZAM-INIZCTEOSA-N -1 0 342.395 3.723 20 0 EHADRM COc1ccc([C@H](C)CCNC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000737948551 603223480 /nfs/dbraw/zinc/22/34/80/603223480.db2.gz JDQMOTXUZVVHGB-CYBMUJFWSA-N -1 0 342.395 3.709 20 0 EHADRM CCc1ccc(CN(C)C(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1 ZINC000827582855 603227307 /nfs/dbraw/zinc/22/73/07/603227307.db2.gz BEJODLPRZIKNJS-UHFFFAOYSA-N -1 0 326.396 3.920 20 0 EHADRM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)CCN(C(=O)[O-])C(C)C)o1 ZINC000830281962 603230767 /nfs/dbraw/zinc/23/07/67/603230767.db2.gz NEBGQOOMGVHOQC-UKRRQHHQSA-N -1 0 336.432 3.666 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)o1 ZINC000830281436 603230909 /nfs/dbraw/zinc/23/09/09/603230909.db2.gz GOEPBUSEQVZXKW-OEAJRASXSA-N -1 0 348.443 3.714 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=S)N[C@H]2CCCC[C@@H]2C)cc1 ZINC000825448358 603238955 /nfs/dbraw/zinc/23/89/55/603238955.db2.gz DLRYSTAYJQLWAW-HUBLWGQQSA-N -1 0 335.473 3.880 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=S)NCCc2ccccc2)cc1 ZINC000825449579 603239217 /nfs/dbraw/zinc/23/92/17/603239217.db2.gz UIDXCTZBRZUFCZ-CYBMUJFWSA-N -1 0 343.452 3.544 20 0 EHADRM Cc1cc(Cl)ccc1NC(=O)NC[C@H](NC(=O)[O-])c1ccccc1 ZINC000830050647 603247581 /nfs/dbraw/zinc/24/75/81/603247581.db2.gz VTWLOUFCCVQAFU-HNNXBMFYSA-N -1 0 347.802 3.779 20 0 EHADRM CN(C[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000828206145 603247584 /nfs/dbraw/zinc/24/75/84/603247584.db2.gz LUJQSXPJFRZXIQ-JTQLQIEISA-N -1 0 346.214 3.600 20 0 EHADRM O=C([O-])NC[C@@H]1CCCN1C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000832557717 603248390 /nfs/dbraw/zinc/24/83/90/603248390.db2.gz YVKUFEIUWUHXQZ-KRWDZBQOSA-N -1 0 339.395 3.618 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)[O-] ZINC000823859340 603250442 /nfs/dbraw/zinc/25/04/42/603250442.db2.gz MHCDLXLVXXRLCE-DZGCQCFKSA-N -1 0 347.459 3.932 20 0 EHADRM O=C([O-])N1CCC[C@H]1C1CCN(C(=O)C2CCCCCCC2)CC1 ZINC000740344566 603250717 /nfs/dbraw/zinc/25/07/17/603250717.db2.gz IAUDJSAEEZWEAE-KRWDZBQOSA-N -1 0 336.476 3.728 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(NC(=O)[O-])cc1)c1cc(F)ccc1F ZINC000736917617 603258023 /nfs/dbraw/zinc/25/80/23/603258023.db2.gz SRSWDUWRKSGEET-OAHLLOKOSA-N -1 0 334.322 3.936 20 0 EHADRM CC(C)(CCC(=O)Nc1cccc(N2CCCCCC2)c1)NC(=O)[O-] ZINC000738745219 603259411 /nfs/dbraw/zinc/25/94/11/603259411.db2.gz UZKASOBTGSVTCI-UHFFFAOYSA-N -1 0 347.459 3.832 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2ccccc2OCC2CC2)cc1 ZINC000738659706 603261027 /nfs/dbraw/zinc/26/10/27/603261027.db2.gz CDSGSMHELFLQFH-UHFFFAOYSA-N -1 0 326.352 3.818 20 0 EHADRM O=C([O-])N[C@@H](C(=O)Nc1cc(F)cc(F)c1)c1cccc(Cl)c1 ZINC000740532519 603269543 /nfs/dbraw/zinc/26/95/43/603269543.db2.gz NPZVDQJZNXWXIX-CYBMUJFWSA-N -1 0 340.713 3.566 20 0 EHADRM O=C([O-])N[C@H](C(=O)Nc1ccc2[nH]ccc2c1)c1cccc(Cl)c1 ZINC000740534694 603272175 /nfs/dbraw/zinc/27/21/75/603272175.db2.gz VECCTVYDQWIBRH-HNNXBMFYSA-N -1 0 343.770 3.769 20 0 EHADRM C[C@@H](CC(=O)Nc1ccccc1Sc1ccccc1)NC(=O)[O-] ZINC000824702497 603276983 /nfs/dbraw/zinc/27/69/83/603276983.db2.gz FDFWEKOFZCCCQS-LBPRGKRZSA-N -1 0 330.409 3.823 20 0 EHADRM CCC[C@](C)(NC(=O)[O-])C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000739302877 603277369 /nfs/dbraw/zinc/27/73/69/603277369.db2.gz QGKQUULHKDEVGM-AWEZNQCLSA-N -1 0 332.322 3.556 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N[C@H](C)CCC(C)C ZINC000829175137 603280948 /nfs/dbraw/zinc/28/09/48/603280948.db2.gz ZBXIJQUVTFSDNJ-SNVBAGLBSA-N -1 0 342.823 3.993 20 0 EHADRM Cc1cccc(NC(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)c1C ZINC000740173190 603292410 /nfs/dbraw/zinc/29/24/10/603292410.db2.gz UGJPZTGXONDUQZ-UHFFFAOYSA-N -1 0 339.395 3.984 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)Nc2cccc(F)c2F)cc1 ZINC000825443153 603296278 /nfs/dbraw/zinc/29/62/78/603296278.db2.gz YZBPURVSCOFQGQ-VIFPVBQESA-N -1 0 335.310 3.937 20 0 EHADRM O=C([O-])N[C@@H](C(=O)Nc1cccc2[nH]ccc21)c1cccc(Cl)c1 ZINC000740532024 603297494 /nfs/dbraw/zinc/29/74/94/603297494.db2.gz LTFHOVNUQITMTP-OAHLLOKOSA-N -1 0 343.770 3.769 20 0 EHADRM O=C([O-])N1CCCN(C(=O)Cc2ccc(Cl)cc2)c2ccccc21 ZINC000740517375 603298862 /nfs/dbraw/zinc/29/88/62/603298862.db2.gz XHHDEHLMNSBBAU-UHFFFAOYSA-N -1 0 344.798 3.804 20 0 EHADRM Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)CCCNC(=O)[O-] ZINC000738798505 603299773 /nfs/dbraw/zinc/29/97/73/603299773.db2.gz LKDWBROSWQRVNK-HNNXBMFYSA-N -1 0 346.452 3.504 20 0 EHADRM Cc1ccc(O[C@H](C)CNC(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000830401101 603311513 /nfs/dbraw/zinc/31/15/13/603311513.db2.gz RRSQKZBOSBNJNI-CYBMUJFWSA-N -1 0 343.383 3.674 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)c(Cl)c1 ZINC000740698332 603315477 /nfs/dbraw/zinc/31/54/77/603315477.db2.gz FPQHXRBSWNDKAY-CQSZACIVSA-N -1 0 348.790 3.520 20 0 EHADRM CCC[C@H]1[C@H](C)CCCN1C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000826767978 603319975 /nfs/dbraw/zinc/31/99/75/603319975.db2.gz ATKJYGQGHBGMDB-CJNGLKHVSA-N -1 0 333.432 3.887 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)N2CCC[C@H]2c2ccccc2)c1 ZINC000740675359 603322181 /nfs/dbraw/zinc/32/21/81/603322181.db2.gz DLKZBFFEDUFZSB-KRWDZBQOSA-N -1 0 339.395 3.823 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)Nc2cccc(CNC(=O)[O-])c2)c1C ZINC000740161141 603322584 /nfs/dbraw/zinc/32/25/84/603322584.db2.gz BNVPVPZYBMWEMT-AWEZNQCLSA-N -1 0 341.411 3.954 20 0 EHADRM Cc1ccccc1C[C@@H](C)NC(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000740183377 603323977 /nfs/dbraw/zinc/32/39/77/603323977.db2.gz JJRCFFQHHYBLLE-CQSZACIVSA-N -1 0 341.411 3.515 20 0 EHADRM C[C@H](NC(=O)Nc1ccccc1CN(C)C(=O)[O-])C1CCCCC1 ZINC000825172864 603329439 /nfs/dbraw/zinc/32/94/39/603329439.db2.gz ZNUDGIQPGJSNIC-ZDUSSCGKSA-N -1 0 333.432 3.887 20 0 EHADRM CC[C@@H]1CCCCN1C(=O)Nc1cccc(CN(CC)C(=O)[O-])c1 ZINC000739271175 603342201 /nfs/dbraw/zinc/34/22/01/603342201.db2.gz NTTBKYJVNQIMHK-MRXNPFEDSA-N -1 0 333.432 3.983 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N2CC[C@@H](NC(=O)[O-])[C@H](C)C2)cc1 ZINC000738877878 603350817 /nfs/dbraw/zinc/35/08/17/603350817.db2.gz PUEGIGUNRQGWEB-IIDMSEBBSA-N -1 0 346.471 3.808 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N1C[C@H](C)C[C@@H](C)C1)C(=O)[O-] ZINC000739447798 603353789 /nfs/dbraw/zinc/35/37/89/603353789.db2.gz OZZKKIUYDDLQHT-ZIAGYGMSSA-N -1 0 333.432 3.696 20 0 EHADRM CN(Cc1cccc(NC(=O)N2CCC[C@H]2C2CCCC2)c1)C(=O)[O-] ZINC000739707268 603356440 /nfs/dbraw/zinc/35/64/40/603356440.db2.gz MAEGLUUJASONBG-KRWDZBQOSA-N -1 0 345.443 3.983 20 0 EHADRM CN(Cc1cccc(NC(=O)NC(C)(C)c2cccs2)c1)C(=O)[O-] ZINC000739715375 603360802 /nfs/dbraw/zinc/36/08/02/603360802.db2.gz SEMVJAIWJCCYPJ-UHFFFAOYSA-N -1 0 347.440 3.915 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N(C)C(C2CC2)C2CC2)cc1 ZINC000825421679 603365304 /nfs/dbraw/zinc/36/53/04/603365304.db2.gz BQPGWAAYXHCMAK-NSHDSACASA-N -1 0 331.416 3.668 20 0 EHADRM C[C@@H](Cc1cccs1)NC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000825031203 603365494 /nfs/dbraw/zinc/36/54/94/603365494.db2.gz SQXNEEVTYAPPEC-RYUDHWBXSA-N -1 0 347.440 3.829 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N(C)CCc2cccs2)cc1 ZINC000825423717 603367691 /nfs/dbraw/zinc/36/76/91/603367691.db2.gz TUEVLUNEHIUFLM-LBPRGKRZSA-N -1 0 347.440 3.783 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N2CC[C@H](c3ccco3)C2)cc1 ZINC000825426657 603386030 /nfs/dbraw/zinc/38/60/30/603386030.db2.gz IAGAUQWQJLHEOL-OCCSQVGLSA-N -1 0 343.383 3.630 20 0 EHADRM CCN(CCC(F)(F)F)C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000827111449 603386562 /nfs/dbraw/zinc/38/65/62/603386562.db2.gz NSZYJFDCMJGSJL-JTQLQIEISA-N -1 0 347.337 3.821 20 0 EHADRM CCCc1ncc(C(=O)Nc2ccccc2CN(CC)C(=O)[O-])s1 ZINC000739378577 603394547 /nfs/dbraw/zinc/39/45/47/603394547.db2.gz KVFKQPXBJJPAIR-UHFFFAOYSA-N -1 0 347.440 3.848 20 0 EHADRM COc1ccc(NC(=O)c2cnc3ccsc3c2)cc1NC(=O)[O-] ZINC000739918111 603395219 /nfs/dbraw/zinc/39/52/19/603395219.db2.gz HFFYGZVWMSZRRQ-UHFFFAOYSA-N -1 0 343.364 3.647 20 0 EHADRM C[C@H](c1ccc2ccccc2c1)N(C(=O)C[C@H](C)NC(=O)[O-])C1CC1 ZINC000824557589 603400629 /nfs/dbraw/zinc/40/06/29/603400629.db2.gz HTSOSKXVDXWTAE-UONOGXRCSA-N -1 0 340.423 3.938 20 0 EHADRM Cc1ccncc1C(=O)Nc1cc(C(F)(F)F)ccc1NC(=O)[O-] ZINC000740197108 603411738 /nfs/dbraw/zinc/41/17/38/603411738.db2.gz ZGGGNZRJMAJJLZ-UHFFFAOYSA-N -1 0 339.273 3.751 20 0 EHADRM C[C@H](C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-])c1cccc(F)c1 ZINC000738632216 603412281 /nfs/dbraw/zinc/41/22/81/603412281.db2.gz RBIWENPSHIXFIY-LBPRGKRZSA-N -1 0 342.370 3.999 20 0 EHADRM COc1ccc(Cc2noc(-c3ccc(C)c(NC(=O)[O-])c3)n2)cc1 ZINC000829396671 603413759 /nfs/dbraw/zinc/41/37/59/603413759.db2.gz NCEVNVDSMNQCPH-UHFFFAOYSA-N -1 0 339.351 3.734 20 0 EHADRM C[C@H](CCc1cccc(F)c1)c1nc(C2(NC(=O)[O-])CCCC2)no1 ZINC000824816410 603415721 /nfs/dbraw/zinc/41/57/21/603415721.db2.gz JLWRQYUEOMQNLZ-GFCCVEGCSA-N -1 0 347.390 3.982 20 0 EHADRM C[C@@H](c1nc(-c2cccc(F)c2)no1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000825644554 603418436 /nfs/dbraw/zinc/41/84/36/603418436.db2.gz GSPCXPOTZOQZFT-IAQYHMDHSA-N -1 0 341.342 3.988 20 0 EHADRM CC(C)(C)c1ncc(/C=C\c2nc(C3(NC(=O)[O-])CCC3)no2)s1 ZINC000823870405 603418733 /nfs/dbraw/zinc/41/87/33/603418733.db2.gz XAKWUNCJFXUJMY-WAYWQWQTSA-N -1 0 348.428 3.641 20 0 EHADRM C[C@H](C(=O)Nc1cccc2c1CCN(C(=O)[O-])C2)c1cccc(F)c1 ZINC000738636959 603421058 /nfs/dbraw/zinc/42/10/58/603421058.db2.gz IEODCDXPRSZZJK-LBPRGKRZSA-N -1 0 342.370 3.604 20 0 EHADRM CCN(Cc1cccc(NC(=O)C[C@@H](C)c2cccnc2)c1)C(=O)[O-] ZINC000739440698 603424124 /nfs/dbraw/zinc/42/41/24/603424124.db2.gz FGXAPCWLYBROQZ-CQSZACIVSA-N -1 0 341.411 3.714 20 0 EHADRM Cc1ccc(C)c(CC(=O)N2CCCN(C(=O)[O-])c3ccccc32)c1 ZINC000740116390 603429964 /nfs/dbraw/zinc/42/99/64/603429964.db2.gz KKZRDMARICLSOB-UHFFFAOYSA-N -1 0 338.407 3.767 20 0 EHADRM O=C([O-])N1CCCN(C(=O)c2cccc3c2CCC3)c2ccccc21 ZINC000740515786 603432218 /nfs/dbraw/zinc/43/22/18/603432218.db2.gz GOEKWPBMOWADSR-UHFFFAOYSA-N -1 0 336.391 3.710 20 0 EHADRM CCC(CC)c1cc(CNC(=O)c2ccc(NC(=O)[O-])cc2)on1 ZINC000736903761 603434521 /nfs/dbraw/zinc/43/45/21/603434521.db2.gz BNDOYHVRWXEPJU-UHFFFAOYSA-N -1 0 331.372 3.598 20 0 EHADRM C[C@@H]1CN(C)c2ccccc2N(C(=O)c2cccc(NC(=O)[O-])c2)C1 ZINC000736810859 603434539 /nfs/dbraw/zinc/43/45/39/603434539.db2.gz WLNIKXKLLDUAMV-CYBMUJFWSA-N -1 0 339.395 3.509 20 0 EHADRM CCC(CC)c1cc(CNC(=O)Cc2ccc(NC(=O)[O-])cc2)on1 ZINC000739253445 603434702 /nfs/dbraw/zinc/43/47/02/603434702.db2.gz HCLZZWZTYTVXBR-UHFFFAOYSA-N -1 0 345.399 3.527 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)Nc2ccc(Nc3ccccc3)cc2)C1 ZINC000832288784 603435905 /nfs/dbraw/zinc/43/59/05/603435905.db2.gz WETSAWMUSUAOSP-CXAGYDPISA-N -1 0 339.395 3.805 20 0 EHADRM CCN(Cc1ccccc1NC(=O)c1cccc2[nH]ccc21)C(=O)[O-] ZINC000827187045 603441818 /nfs/dbraw/zinc/44/18/18/603441818.db2.gz NILQOEMUMYLDHV-UHFFFAOYSA-N -1 0 337.379 3.920 20 0 EHADRM COc1ccc(C2(C(=O)Oc3cccc(NC(=O)[O-])c3)CCC2)cc1 ZINC000829333772 603476569 /nfs/dbraw/zinc/47/65/69/603476569.db2.gz ZBAYIZSJMKOSOV-UHFFFAOYSA-N -1 0 341.363 3.812 20 0 EHADRM COc1ccc(NC(=O)C/C=C\c2ccc(F)cc2)cc1NC(=O)[O-] ZINC000829453818 603476936 /nfs/dbraw/zinc/47/69/36/603476936.db2.gz JTVZGGKMWXOKEX-IHWYPQMZSA-N -1 0 344.342 3.966 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)[C@H]1CCC[C@H]1NC(=O)[O-] ZINC000829866804 603476985 /nfs/dbraw/zinc/47/69/85/603476985.db2.gz DGOXNPIZLNOYPU-GOEBONIOSA-N -1 0 348.443 3.685 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)c2cccc3[nH]ccc32)c1 ZINC000829469431 603485639 /nfs/dbraw/zinc/48/56/39/603485639.db2.gz PZJYPJRGWOEBTO-UHFFFAOYSA-N -1 0 325.324 3.519 20 0 EHADRM CCCN(CC(C)(C)O)C(=O)c1cc2ccccc2cc1NC(=O)[O-] ZINC000826903280 603502490 /nfs/dbraw/zinc/50/24/90/603502490.db2.gz IRXVSSMAGKNPNY-UHFFFAOYSA-N -1 0 344.411 3.553 20 0 EHADRM Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc(O)cc2)cc1NC(=O)[O-] ZINC000830192752 603511128 /nfs/dbraw/zinc/51/11/28/603511128.db2.gz OIOXOPVYNOOQRE-QGZVFWFLSA-N -1 0 340.379 3.768 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N(CC(C)C)C(C)C ZINC000829167114 603530960 /nfs/dbraw/zinc/53/09/60/603530960.db2.gz FIQYTTXQJUZUCF-UHFFFAOYSA-N -1 0 342.823 3.945 20 0 EHADRM CC(C)C[C@H]1CCN(C(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)C1 ZINC000824232856 603598013 /nfs/dbraw/zinc/59/80/13/603598013.db2.gz UBVDJJGHTGJCLR-CQSZACIVSA-N -1 0 345.443 3.623 20 0 EHADRM CC(C)C[C@@H]1CCN(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)C1 ZINC000824233509 603604565 /nfs/dbraw/zinc/60/45/65/603604565.db2.gz ZIQMCKHGIHJRPK-KGLIPLIRSA-N -1 0 333.432 3.915 20 0 EHADRM Cc1cccc(NC(=O)N2CCC([C@H](C)NC(=O)[O-])CC2)c1Cl ZINC000830516747 603609014 /nfs/dbraw/zinc/60/90/14/603609014.db2.gz LFDDBGVQABOVGD-NSHDSACASA-N -1 0 339.823 3.548 20 0 EHADRM Cc1cccc(NC(=O)N[C@@H](C)[C@H]2CCCN(C(=O)[O-])C2)c1Cl ZINC000830516664 603609052 /nfs/dbraw/zinc/60/90/52/603609052.db2.gz IVVCLNXDUARGLZ-RYUDHWBXSA-N -1 0 339.823 3.548 20 0 EHADRM CC(C)[C@@H](NC(=O)N(C)C1CCC(NC(=O)[O-])CC1)c1ccccc1 ZINC000824128816 603614512 /nfs/dbraw/zinc/61/45/12/603614512.db2.gz JKONIDOUJUSZPA-OFLPRAFFSA-N -1 0 347.459 3.604 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)c3cccc4cnccc43)ccc21 ZINC000831772515 603616975 /nfs/dbraw/zinc/61/69/75/603616975.db2.gz HDMQXPFAKVELCA-UHFFFAOYSA-N -1 0 333.347 3.528 20 0 EHADRM Cc1cc(C)cc([C@@H](C)NC(=O)N(C)C2CCC(NC(=O)[O-])CC2)c1 ZINC000829998699 603652287 /nfs/dbraw/zinc/65/22/87/603652287.db2.gz XATLLVFNRDKASE-ODIFPOPNSA-N -1 0 347.459 3.585 20 0 EHADRM Cc1c(CSC(C)C)cccc1NC(=O)C(C)(C)CNC(=O)[O-] ZINC000829868017 603688340 /nfs/dbraw/zinc/68/83/40/603688340.db2.gz WBESSVCKAXFBHC-UHFFFAOYSA-N -1 0 338.473 3.869 20 0 EHADRM CCC(CC)(CNC(=O)c1ccccc1SC(C)C)NC(=O)[O-] ZINC000826556442 603733174 /nfs/dbraw/zinc/73/31/74/603733174.db2.gz IINLOVFMZWWFKN-UHFFFAOYSA-N -1 0 338.473 3.743 20 0 EHADRM CCN(CC1CCN(C(=O)c2ccc3ccccc3c2)CC1)C(=O)[O-] ZINC000827083787 603754533 /nfs/dbraw/zinc/75/45/33/603754533.db2.gz JBFHMMWGMKDKBO-UHFFFAOYSA-N -1 0 340.423 3.692 20 0 EHADRM C[C@@H](Oc1ccc(NC(=O)[O-])cc1)c1nnc(-c2ccccc2)o1 ZINC000825616796 603767824 /nfs/dbraw/zinc/76/78/24/603767824.db2.gz KMACBALHTWGJPN-LLVKDONJSA-N -1 0 325.324 3.967 20 0 EHADRM CCN(Cc1cccc(NC(=O)N(C)[C@@H](C)C2(C)CC2)c1)C(=O)[O-] ZINC000827167866 603809645 /nfs/dbraw/zinc/80/96/45/603809645.db2.gz PWIOEWDBRDQFJN-ZDUSSCGKSA-N -1 0 333.432 3.839 20 0 EHADRM O=C(CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])Nc1nc2ccccc2s1 ZINC000831307860 603824012 /nfs/dbraw/zinc/82/40/12/603824012.db2.gz HNEZUNFJWWFCBV-YOGCLGLASA-N -1 0 345.424 3.546 20 0 EHADRM C[C@H](c1ccccc1F)N(C)C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000825638211 603832594 /nfs/dbraw/zinc/83/25/94/603832594.db2.gz KVWCXIJLIGUHMT-FFHGMXDLSA-N -1 0 348.418 3.656 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000830699058 603843715 /nfs/dbraw/zinc/84/37/15/603843715.db2.gz WKJIXRAXCFBMRJ-UHFFFAOYSA-N -1 0 338.319 3.959 20 0 EHADRM CCC(CC)c1cc(CNCc2cccc3c2N(C(=O)[O-])CC3)on1 ZINC000826575988 603864317 /nfs/dbraw/zinc/86/43/17/603864317.db2.gz OWTJHLCMKXRVBJ-UHFFFAOYSA-N -1 0 343.427 3.909 20 0 EHADRM O=C([O-])N1CCC(C(=O)Nc2ccc(CCC(F)(F)F)cc2)CC1 ZINC000831756558 603897447 /nfs/dbraw/zinc/89/74/47/603897447.db2.gz CVODTPPRJARBHR-UHFFFAOYSA-N -1 0 344.333 3.510 20 0 EHADRM O=C([O-])N[C@H](CC(=O)Nc1ccccc1Cl)Cc1ccccc1 ZINC000832114006 603936926 /nfs/dbraw/zinc/93/69/26/603936926.db2.gz QARHEYIUWSCTIM-ZDUSSCGKSA-N -1 0 332.787 3.548 20 0 EHADRM O=C(CCSc1ccccc1)Nc1cccc2c1CCN2C(=O)[O-] ZINC000831436073 603944312 /nfs/dbraw/zinc/94/43/12/603944312.db2.gz HJPUXVIBMALCEP-UHFFFAOYSA-N -1 0 342.420 3.848 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)Nc1cccc2[nH]ccc21 ZINC000831793469 603970476 /nfs/dbraw/zinc/97/04/76/603970476.db2.gz LAWATMDJTCYHNS-UHFFFAOYSA-N -1 0 336.351 3.852 20 0 EHADRM Cc1ccccc1CN(C)C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000830573354 603974909 /nfs/dbraw/zinc/97/49/09/603974909.db2.gz IRERVRAYJIKDSE-UHFFFAOYSA-N -1 0 339.395 3.699 20 0 EHADRM CN(Cc1ccc(F)cc1)C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000828354951 603977315 /nfs/dbraw/zinc/97/73/15/603977315.db2.gz GHFFZXKGALPLNG-UHFFFAOYSA-N -1 0 343.358 3.530 20 0 EHADRM Cc1cc(C)c(NC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c(C)c1 ZINC000829990599 603983266 /nfs/dbraw/zinc/98/32/66/603983266.db2.gz CDOXCNREEDHJEF-MQVJKMGUSA-N -1 0 330.428 3.861 20 0 EHADRM Cc1cccc([C@@H]2CCCCCN2C(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)c1 ZINC000830494288 603984885 /nfs/dbraw/zinc/98/48/85/603984885.db2.gz ZRHFUNKIKMDXIK-KURKYZTESA-N -1 0 344.455 3.875 20 0 EHADRM Cc1cccc([C@@H]2CCCCN2C(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)c1C ZINC000830493022 603993661 /nfs/dbraw/zinc/99/36/61/603993661.db2.gz MIHJHGOCUBMHSG-JZXOWHBKSA-N -1 0 344.455 3.793 20 0 EHADRM O=C([O-])Nc1cc2c(cc1NC(=O)c1cc3ccccc3o1)OCO2 ZINC000832825521 604004245 /nfs/dbraw/zinc/00/42/45/604004245.db2.gz XXZSDYGJHMRCJT-UHFFFAOYSA-N -1 0 340.291 3.504 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)OCc2ccc3ccccc3c2)o1 ZINC000832715153 604014017 /nfs/dbraw/zinc/01/40/17/604014017.db2.gz ORDWKUUAMTUPGC-UHFFFAOYSA-N -1 0 325.320 3.557 20 0 EHADRM Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000830445237 604033822 /nfs/dbraw/zinc/03/38/22/604033822.db2.gz FHVALQDHCJKJAV-ZDUSSCGKSA-N -1 0 340.379 3.821 20 0 EHADRM Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000830445115 604035475 /nfs/dbraw/zinc/03/54/75/604035475.db2.gz FDDKNSPTVAMAHH-NSHDSACASA-N -1 0 344.342 3.652 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)/C=C/SCc2ccco2)cc1 ZINC000825418542 604043297 /nfs/dbraw/zinc/04/32/97/604043297.db2.gz USZAQUBJTMLCLL-OANVXVOSSA-N -1 0 346.408 3.994 20 0 EHADRM Cc1cccnc1C(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000830594598 604053827 /nfs/dbraw/zinc/05/38/27/604053827.db2.gz AGYOFWUUTAQFIM-UHFFFAOYSA-N -1 0 339.273 3.751 20 0 EHADRM CCS[C@@H]1CCC[C@H](NC(=O)c2ccc(C)c(NC(=O)[O-])c2)C1 ZINC000827495736 604059999 /nfs/dbraw/zinc/05/99/99/604059999.db2.gz MCVMDOJNZJUFIC-UONOGXRCSA-N -1 0 336.457 3.879 20 0 EHADRM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)Nc2cccc(C(F)F)c2)C1 ZINC000825236030 604081781 /nfs/dbraw/zinc/08/17/81/604081781.db2.gz KGRZGPMVXLJKFP-JQWIXIFHSA-N -1 0 341.358 3.524 20 0 EHADRM CN(C(=O)Nc1ccc(F)c(Cl)c1)C1CCC(NC(=O)[O-])CC1 ZINC000827806733 604119323 /nfs/dbraw/zinc/11/93/23/604119323.db2.gz NLAVHIRPSMWXFA-UHFFFAOYSA-N -1 0 343.786 3.522 20 0 EHADRM CCS[C@H]1CCC[C@H](NC(=O)Nc2ccc(NC(=O)[O-])cc2)C1 ZINC000827495814 604125053 /nfs/dbraw/zinc/12/50/53/604125053.db2.gz NDRZGSLZPSEJNB-KBPBESRZSA-N -1 0 337.445 3.962 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NCc2noc(-c3ccsc3)n2)cc1 ZINC000825449128 604130228 /nfs/dbraw/zinc/13/02/28/604130228.db2.gz KRUSYLROWFXHMO-SNVBAGLBSA-N -1 0 344.396 3.739 20 0 EHADRM CN(C(=O)Nc1cccc(C(F)F)c1)C1CCC(NC(=O)[O-])CC1 ZINC000827809372 604134560 /nfs/dbraw/zinc/13/45/60/604134560.db2.gz FRDJQKACFFOKMZ-UHFFFAOYSA-N -1 0 341.358 3.667 20 0 EHADRM COc1cc(NC(=O)N2CCC[C@@H]3CCC[C@@H]32)ccc1NC(=O)[O-] ZINC000829159667 604135313 /nfs/dbraw/zinc/13/53/13/604135313.db2.gz XADMRQROVCMNTR-FZMZJTMJSA-N -1 0 333.388 3.582 20 0 EHADRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000825247592 604184834 /nfs/dbraw/zinc/18/48/34/604184834.db2.gz ZCOIPPFGHFSANN-KOLCDFICSA-N -1 0 345.226 3.502 20 0 EHADRM C[C@@H](NC(=O)c1ccc(F)c(NC(=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC000825457715 604211002 /nfs/dbraw/zinc/21/10/02/604211002.db2.gz ANVJRSASTLISDG-VXGBXAGGSA-N -1 0 330.359 3.838 20 0 EHADRM CN(C(=O)c1ccc(OC(C)(C)C)cc1)C1CCC(NC(=O)[O-])CC1 ZINC000827939249 604237485 /nfs/dbraw/zinc/23/74/85/604237485.db2.gz UWXBXEDGKBXNEK-UHFFFAOYSA-N -1 0 348.443 3.515 20 0 EHADRM O=C([O-])N(CC1CC1)C1CCN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000831272059 604244548 /nfs/dbraw/zinc/24/45/48/604244548.db2.gz HMUGPEFAYFFIMX-QZTJIDSGSA-N -1 0 348.487 3.584 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CC[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000832828771 604244985 /nfs/dbraw/zinc/24/49/85/604244985.db2.gz LDHMZYFFEPPKDU-CQSZACIVSA-N -1 0 328.343 3.545 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2ccc(-c3ccco3)s2)c1 ZINC000833329590 604268214 /nfs/dbraw/zinc/26/82/14/604268214.db2.gz DYWYKAGHLUMLNI-UHFFFAOYSA-N -1 0 327.361 3.636 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1nc2c(cccc2C)s1 ZINC000832847098 604269125 /nfs/dbraw/zinc/26/91/25/604269125.db2.gz IYMZWXLSEIQDTP-UHFFFAOYSA-N -1 0 329.381 3.500 20 0 EHADRM CCN(Cc1cccc(Cl)c1)C(=O)c1c(C)[nH]c(C(=O)[O-])c1C ZINC000737851003 604276799 /nfs/dbraw/zinc/27/67/99/604276799.db2.gz CODSOZZKJNBGMX-UHFFFAOYSA-N -1 0 334.803 3.645 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000827581228 604280847 /nfs/dbraw/zinc/28/08/47/604280847.db2.gz JXENXMPDHPKIOM-NSHDSACASA-N -1 0 349.789 3.881 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1ccc2oc(C(C)C)nc2c1 ZINC000832847066 604281360 /nfs/dbraw/zinc/28/13/60/604281360.db2.gz HHIUHQLNNBUGHJ-UHFFFAOYSA-N -1 0 341.367 3.847 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H](c2ccccc2)C(F)(F)F)cc1F ZINC000833128130 604283608 /nfs/dbraw/zinc/28/36/08/604283608.db2.gz ZIHPPGPIZFOXER-CYBMUJFWSA-N -1 0 341.260 3.557 20 0 EHADRM CC(C)COc1ccccc1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000826905463 604287738 /nfs/dbraw/zinc/28/77/38/604287738.db2.gz LMHZPKCCUYRZFU-UHFFFAOYSA-N -1 0 331.343 3.811 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000323097316 604291938 /nfs/dbraw/zinc/29/19/38/604291938.db2.gz ZHCNALMGJMMKGY-LBPRGKRZSA-N -1 0 329.783 3.867 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2cc(-c3ccccc3)ns2)c1 ZINC000833342222 604313384 /nfs/dbraw/zinc/31/33/84/604313384.db2.gz IVZDDEKAIPTGJQ-UHFFFAOYSA-N -1 0 330.390 3.822 20 0 EHADRM CCc1cccc(C)c1NC(=O)C[C@H](C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000827594231 604314319 /nfs/dbraw/zinc/31/43/19/604314319.db2.gz GUPHQKSBHATEAD-HOCLYGCPSA-N -1 0 332.444 3.912 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2csc(-c3ccc(O)cc3)n2)c1 ZINC000833343968 604317925 /nfs/dbraw/zinc/31/79/25/604317925.db2.gz VJUNPVJNDXAXAX-UHFFFAOYSA-N -1 0 346.389 3.528 20 0 EHADRM COc1ccc(CNC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c(C)c1 ZINC000832335889 604322313 /nfs/dbraw/zinc/32/23/13/604322313.db2.gz CTTGPSCVDUGKTQ-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000829055295 604324781 /nfs/dbraw/zinc/32/47/81/604324781.db2.gz FWPVPXXOBURMRB-GJZGRUSLSA-N -1 0 349.431 3.834 20 0 EHADRM Cc1cccc(C)c1CNC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000832964866 604338911 /nfs/dbraw/zinc/33/89/11/604338911.db2.gz SJRROXSIILCXPU-UHFFFAOYSA-N -1 0 341.411 3.735 20 0 EHADRM CCc1ccsc1C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000830282493 604377407 /nfs/dbraw/zinc/37/74/07/604377407.db2.gz YWNMUHSSFRFPTG-HNNXBMFYSA-N -1 0 331.437 3.892 20 0 EHADRM CSc1ccc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1 ZINC000832774177 604379130 /nfs/dbraw/zinc/37/91/30/604379130.db2.gz DFGPKWARWFLVPF-INIZCTEOSA-N -1 0 343.448 3.990 20 0 EHADRM CC(C)c1nc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])cs1 ZINC000827144780 604379980 /nfs/dbraw/zinc/37/99/80/604379980.db2.gz VMTWRRMSYWTGOZ-CQSZACIVSA-N -1 0 346.452 3.848 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1cc2ccsc2[nH]1)c1ccccc1 ZINC000826103056 604383096 /nfs/dbraw/zinc/38/30/96/604383096.db2.gz MLVQMXAJKPUCTG-AWEZNQCLSA-N -1 0 342.420 3.811 20 0 EHADRM C[C@H](CC(=O)N1Cc2ccccc2[C@H]1C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824606461 604388106 /nfs/dbraw/zinc/38/81/06/604388106.db2.gz PXYVTEBRMAOXFP-KFWWJZLASA-N -1 0 330.428 3.506 20 0 EHADRM O=C([O-])c1ccc(OCCOc2ccc(Cl)nc2)c(Cl)c1 ZINC000833321935 604406599 /nfs/dbraw/zinc/40/65/99/604406599.db2.gz AXZDQLXWBKZAKL-UHFFFAOYSA-N -1 0 328.151 3.544 20 0 EHADRM Cc1cc(Cl)ncc1NC(=O)N[C@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000832886819 604408042 /nfs/dbraw/zinc/40/80/42/604408042.db2.gz MJIXCUBKNNEPPZ-NEPJUHHUSA-N -1 0 339.823 3.589 20 0 EHADRM O=C([O-])c1ccc(C(=O)O[C@H](Cc2ccccc2)c2cccnc2)cc1 ZINC000833311811 604414264 /nfs/dbraw/zinc/41/42/64/604414264.db2.gz CTEYQPHEQGHGGS-LJQANCHMSA-N -1 0 347.370 3.921 20 0 EHADRM CC(C)c1csc(CNCc2cccc3c2N(C(=O)[O-])CC3)n1 ZINC000824482064 604417694 /nfs/dbraw/zinc/41/76/94/604417694.db2.gz GGDCCAOKIKMAKE-UHFFFAOYSA-N -1 0 331.441 3.597 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccc(C)c(OC)c1 ZINC000829026601 604428111 /nfs/dbraw/zinc/42/81/11/604428111.db2.gz JYKAMFWWAVSFNG-QGZVFWFLSA-N -1 0 341.407 3.682 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)Cc1ccc(C)s1 ZINC000829027564 604429359 /nfs/dbraw/zinc/42/93/59/604429359.db2.gz OUXNFDCBRBSDQK-MRXNPFEDSA-N -1 0 331.437 3.664 20 0 EHADRM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCC[C@@H]2c2ccsc2)c1 ZINC000568060849 604457054 /nfs/dbraw/zinc/45/70/54/604457054.db2.gz QRFYJQPXDWJALA-SJORKVTESA-N -1 0 347.436 3.728 20 0 EHADRM COc1cc(OC)cc([C@H](C(=O)[O-])N2CCC[C@@H]2c2ccsc2)c1 ZINC000568060847 604457479 /nfs/dbraw/zinc/45/74/79/604457479.db2.gz QRFYJQPXDWJALA-IAGOWNOFSA-N -1 0 347.436 3.728 20 0 EHADRM CC(C)(C)O[C@@H](C(=O)N1CCC(CCC(=O)[O-])CC1)c1ccccc1 ZINC000833446360 604462836 /nfs/dbraw/zinc/46/28/36/604462836.db2.gz XNNRTSXLLJICNK-GOSISDBHSA-N -1 0 347.455 3.646 20 0 EHADRM CC(C)(C)SCCCC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000833446745 604463988 /nfs/dbraw/zinc/46/39/88/604463988.db2.gz GNAZGJDFISDXBG-CQSZACIVSA-N -1 0 343.876 3.894 20 0 EHADRM CC(C)(C)O[C@@H](C(=O)OCc1cc(C(=O)[O-])co1)c1ccccc1 ZINC000833445850 604470935 /nfs/dbraw/zinc/47/09/35/604470935.db2.gz JNMDIXZAIGOOFH-OAHLLOKOSA-N -1 0 332.352 3.577 20 0 EHADRM CN(C(=O)c1cccc(NC(=O)[O-])c1)c1ccc(-c2ccccc2)nn1 ZINC000827945304 604484981 /nfs/dbraw/zinc/48/49/81/604484981.db2.gz NAFAXKUNJXDVIQ-UHFFFAOYSA-N -1 0 348.362 3.510 20 0 EHADRM COc1ccccc1C[C@H](C)N(C)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000832607557 604503636 /nfs/dbraw/zinc/50/36/36/604503636.db2.gz IIPYLUFEHACLOO-NSHDSACASA-N -1 0 348.424 3.550 20 0 EHADRM CN(CCCCc1ccccc1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000830772177 604506627 /nfs/dbraw/zinc/50/66/27/604506627.db2.gz AHWNMEHSYUMTKZ-UHFFFAOYSA-N -1 0 332.425 3.933 20 0 EHADRM O=C([O-])c1csc(NC(=O)NC2CCC(C(F)(F)F)CC2)c1 ZINC000833151082 604512448 /nfs/dbraw/zinc/51/24/48/604512448.db2.gz MMXONDOGKCLBKF-UHFFFAOYSA-N -1 0 336.335 3.689 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1ccc(C(C)C)nc1 ZINC000831977700 604539132 /nfs/dbraw/zinc/53/91/32/604539132.db2.gz UMADYCJLUJBAJA-UITAMQMPSA-N -1 0 341.363 3.531 20 0 EHADRM CC(C)[C@@H](C(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000833465515 604541931 /nfs/dbraw/zinc/54/19/31/604541931.db2.gz LMZPUIBBNISNCX-GOSISDBHSA-N -1 0 343.398 3.622 20 0 EHADRM CCc1ccccc1OCC(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000830282397 604546817 /nfs/dbraw/zinc/54/68/17/604546817.db2.gz STIHOFRHULVRLL-GFCCVEGCSA-N -1 0 332.352 3.532 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2ccc(C(F)(F)F)cn2)oc1C(=O)[O-] ZINC000832876786 604548857 /nfs/dbraw/zinc/54/88/57/604548857.db2.gz VELLAMONFLQXBX-MRVPVSSYSA-N -1 0 343.257 3.618 20 0 EHADRM CC(C)[C@H](C(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000833466094 604553878 /nfs/dbraw/zinc/55/38/78/604553878.db2.gz RPUARLWXXMZJSG-SFHVURJKSA-N -1 0 341.382 3.806 20 0 EHADRM CC(C)[C@@H](C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21)c1ccc(F)cc1 ZINC000833466952 604555852 /nfs/dbraw/zinc/55/58/52/604555852.db2.gz PNPIEKIIQFGQLP-SJLPKXTDSA-N -1 0 341.382 3.780 20 0 EHADRM CC(C)(C)Oc1cccc(CN2C[C@H](CC(=O)[O-])c3ccccc32)n1 ZINC000833447225 604561834 /nfs/dbraw/zinc/56/18/34/604561834.db2.gz GXRVRRJIIRFQHX-AWEZNQCLSA-N -1 0 340.423 3.837 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000262885763 604563918 /nfs/dbraw/zinc/56/39/18/604563918.db2.gz HKLGXASVOQVBAF-LLVKDONJSA-N -1 0 333.771 3.679 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2c(C)nn(C(C)(C)C)c2C)oc1C(=O)[O-] ZINC000832872817 604568775 /nfs/dbraw/zinc/56/87/75/604568775.db2.gz WPVYSXYIUVDSSO-LBPRGKRZSA-N -1 0 348.399 3.773 20 0 EHADRM CC(C)(C)c1cc(C(=O)Nc2cccc(SCCC(=O)[O-])c2)n[nH]1 ZINC000833446710 604573446 /nfs/dbraw/zinc/57/34/46/604573446.db2.gz LKNXWGSHCHAVNU-UHFFFAOYSA-N -1 0 347.440 3.526 20 0 EHADRM CC(=O)c1ccccc1C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833404066 604573812 /nfs/dbraw/zinc/57/38/12/604573812.db2.gz VVZVTKSXINOCER-UHFFFAOYSA-N -1 0 343.404 3.708 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2cc(F)c(F)c(F)c2)oc1C(=O)[O-] ZINC000832874231 604581300 /nfs/dbraw/zinc/58/13/00/604581300.db2.gz IHRPGVIZVKNLOA-SSDOTTSWSA-N -1 0 328.242 3.622 20 0 EHADRM COc1ccc(C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)c(Cl)c1 ZINC000832214101 604583226 /nfs/dbraw/zinc/58/32/26/604583226.db2.gz YJLKFVAMSJBUFK-VIFPVBQESA-N -1 0 338.743 3.866 20 0 EHADRM C/C(=C\C(=O)N1CCC[C@H]1CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000825717058 604585230 /nfs/dbraw/zinc/58/52/30/604585230.db2.gz SBKAIAPAHNCFAG-MARXPDLDSA-N -1 0 341.329 3.574 20 0 EHADRM C[C@@H]1CC[C@H](C)N(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC000833603412 604587798 /nfs/dbraw/zinc/58/77/98/604587798.db2.gz AYXNDQQMAWOAOO-ZJUUUORDSA-N -1 0 342.342 3.639 20 0 EHADRM O=C([O-])c1ccc(COC(=O)/C=C/SCc2ccco2)cc1F ZINC000833092816 604601213 /nfs/dbraw/zinc/60/12/13/604601213.db2.gz OGWAXFCYSULZRR-FNORWQNLSA-N -1 0 336.340 3.607 20 0 EHADRM C[C@@H](C(=O)Oc1c(C(=O)[O-])ccc2ccccc21)C1CCOCC1 ZINC000833410605 604606774 /nfs/dbraw/zinc/60/67/74/604606774.db2.gz ZDBPHFKZUWYAGO-GFCCVEGCSA-N -1 0 328.364 3.506 20 0 EHADRM CCCN(CC(C)C)C(=O)NCc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000826903576 604613855 /nfs/dbraw/zinc/61/38/55/604613855.db2.gz KWZKQOXXYHQGLA-AWEZNQCLSA-N -1 0 335.448 3.593 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)Nc1ccccc1-c1cccs1 ZINC000833213516 604616734 /nfs/dbraw/zinc/61/67/34/604616734.db2.gz IMRKOPGLGPVYHL-LBPRGKRZSA-N -1 0 330.409 3.886 20 0 EHADRM CN(c1ccccc1NC(=O)N1CCC[C@@H]1CC(=O)[O-])C1CCCC1 ZINC000830888395 604637851 /nfs/dbraw/zinc/63/78/51/604637851.db2.gz PVHSKVDZWQMMRS-OAHLLOKOSA-N -1 0 345.443 3.536 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCC2(Cc3ccccc3)CC2)cc1F ZINC000833138276 604638448 /nfs/dbraw/zinc/63/84/48/604638448.db2.gz BPVGLZDUBCXSPX-UHFFFAOYSA-N -1 0 342.370 3.668 20 0 EHADRM O=C([O-])c1cccc(NC2CCN(c3ncccc3Cl)CC2)c1 ZINC000833331968 604641127 /nfs/dbraw/zinc/64/11/27/604641127.db2.gz WBRHCIYONDOYSW-UHFFFAOYSA-N -1 0 331.803 3.514 20 0 EHADRM CCOc1cccc(NCc2cc(C)c(OCC(=O)[O-])c(C)c2)c1 ZINC000830104669 604642091 /nfs/dbraw/zinc/64/20/91/604642091.db2.gz LJSHHCBWFRFPKN-UHFFFAOYSA-N -1 0 329.396 3.778 20 0 EHADRM Cc1cc(CNc2cccc3cccnc32)cc(C)c1OCC(=O)[O-] ZINC000832885328 604642668 /nfs/dbraw/zinc/64/26/68/604642668.db2.gz MMRVECXDMAGTPF-UHFFFAOYSA-N -1 0 336.391 3.927 20 0 EHADRM Cc1nc(NC(=O)CCCOc2ccc(C)cc2C)sc1C(=O)[O-] ZINC000832951995 604664510 /nfs/dbraw/zinc/66/45/10/604664510.db2.gz AHSHVOCNXYPKPC-UHFFFAOYSA-N -1 0 348.424 3.564 20 0 EHADRM CCC(CC)[C@@H](NC(=O)N1CCC[C@H]1CC(=O)[O-])c1cccs1 ZINC000828854445 604675316 /nfs/dbraw/zinc/67/53/16/604675316.db2.gz FAHRYMGUMLAJPI-XJKSGUPXSA-N -1 0 338.473 3.874 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000537472872 604680397 /nfs/dbraw/zinc/68/03/97/604680397.db2.gz AYOFYPFIUVCWAV-GFCCVEGCSA-N -1 0 331.799 3.800 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@H]1CC(=O)[O-])c1cc2ccccc2s1 ZINC000827652046 604684055 /nfs/dbraw/zinc/68/40/55/604684055.db2.gz AKYBXKYPENJOSC-AAEUAGOBSA-N -1 0 332.425 3.611 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)c2ccc(F)c(Cl)c2)c2ccccc21 ZINC000391218453 604696946 /nfs/dbraw/zinc/69/69/46/604696946.db2.gz XTHXMHGHRDDBSC-LLVKDONJSA-N -1 0 333.746 3.698 20 0 EHADRM CC(C)OCc1cccc(NC(=O)CCc2ccccc2C(=O)[O-])c1 ZINC000262225528 604720274 /nfs/dbraw/zinc/72/02/74/604720274.db2.gz RQKHQKFVEWSKFX-UHFFFAOYSA-N -1 0 341.407 3.881 20 0 EHADRM O=C([O-])CCc1csc(NC(=O)c2cc(Cl)cc(Cl)c2)n1 ZINC000833240925 604733362 /nfs/dbraw/zinc/73/33/62/604733362.db2.gz SAEVSMSJYHMYBG-UHFFFAOYSA-N -1 0 345.207 3.719 20 0 EHADRM CCc1cccc(C)c1NC(=O)C[C@H](C)C1CCN(C(=O)[O-])CC1 ZINC000827593416 604734391 /nfs/dbraw/zinc/73/43/91/604734391.db2.gz BWBDFSALMBDFHN-AWEZNQCLSA-N -1 0 332.444 3.912 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000832977377 604734844 /nfs/dbraw/zinc/73/48/44/604734844.db2.gz RQWGNRNXPCRESX-GFCCVEGCSA-N -1 0 332.425 3.601 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)C1CCC(F)(F)CC1)C(=O)[O-] ZINC000190672142 604736056 /nfs/dbraw/zinc/73/60/56/604736056.db2.gz DBKUMUONABEPLP-ZDUSSCGKSA-N -1 0 339.382 3.561 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N[C@H](c1ccccc1)C1CCC1 ZINC000262262524 604738659 /nfs/dbraw/zinc/73/86/59/604738659.db2.gz XACVNEOQPPETRD-HXUWFJFHSA-N -1 0 337.419 3.975 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000262720327 604744255 /nfs/dbraw/zinc/74/42/55/604744255.db2.gz DROMGHDYZGSJMO-XJFOESAGSA-N -1 0 333.403 3.551 20 0 EHADRM O=C([O-])c1ccc(OC[C@H](O)c2ccc(Cl)cc2Cl)cc1 ZINC000833781468 604746732 /nfs/dbraw/zinc/74/67/32/604746732.db2.gz CEVYJCAVBQCRCG-AWEZNQCLSA-N -1 0 327.163 3.804 20 0 EHADRM Cc1ccc(Nc2ccccc2C(=O)N2CCC[C@H]2CC(=O)[O-])cc1 ZINC000563789730 604751149 /nfs/dbraw/zinc/75/11/49/604751149.db2.gz RKDGUHXAUGMEIY-INIZCTEOSA-N -1 0 338.407 3.818 20 0 EHADRM Cc1ccc(-n2c(SCCC(=O)[O-])nnc2-c2cccs2)cc1 ZINC000832909834 604751209 /nfs/dbraw/zinc/75/12/09/604751209.db2.gz JVMOAAVYFPNWSH-UHFFFAOYSA-N -1 0 345.449 3.871 20 0 EHADRM O=C([O-])c1ccc(-c2nc(CCCc3ccccc3)no2)cc1F ZINC000833308208 604763457 /nfs/dbraw/zinc/76/34/57/604763457.db2.gz NVANVSSZUNRTKY-UHFFFAOYSA-N -1 0 326.327 3.749 20 0 EHADRM Cc1ncsc1NC(=O)c1cc2ccccc2cc1NC(=O)[O-] ZINC000830834818 604765434 /nfs/dbraw/zinc/76/54/34/604765434.db2.gz PKKXLDTUPVZKFE-UHFFFAOYSA-N -1 0 327.365 3.947 20 0 EHADRM CN(C)c1cccc([C@@H]2CCCN2[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000830643089 604769957 /nfs/dbraw/zinc/76/99/57/604769957.db2.gz CAZINRBMTXHXFK-OALUTQOASA-N -1 0 342.414 3.855 20 0 EHADRM COC1CCC(CC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])CC1 ZINC000833719884 604791673 /nfs/dbraw/zinc/79/16/73/604791673.db2.gz VNBYAQJAXOPOJL-PVARCSIZSA-N -1 0 347.455 3.550 20 0 EHADRM Cc1ccc(F)c(NC(=S)N2CCc3ccc(C(=O)[O-])cc3C2)c1 ZINC000833749561 604792973 /nfs/dbraw/zinc/79/29/73/604792973.db2.gz NHCYQFKMAPNBSE-UHFFFAOYSA-N -1 0 344.411 3.587 20 0 EHADRM CCC(CC)n1ccc(COc2ccc(/C=C\C(=O)[O-])cc2OC)n1 ZINC000327471308 604799516 /nfs/dbraw/zinc/79/95/16/604799516.db2.gz GGSBLUKYVDLYMP-CLFYSBASSA-N -1 0 344.411 3.930 20 0 EHADRM CC(C)[C@H](C(=O)N1CCc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000262166633 604812399 /nfs/dbraw/zinc/81/23/99/604812399.db2.gz LAECTWJZLUQEDZ-IBGZPJMESA-N -1 0 337.419 3.709 20 0 EHADRM CC(C)(CCNC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000826547152 604813865 /nfs/dbraw/zinc/81/38/65/604813865.db2.gz ZFMAGYGTZATEGD-UHFFFAOYSA-N -1 0 329.371 3.622 20 0 EHADRM Cc1c(CNC(=O)c2ccc(C(=O)[O-])c(F)c2)oc2ccc(F)cc12 ZINC000832853958 604814685 /nfs/dbraw/zinc/81/46/85/604814685.db2.gz ZWPGTKLZTZKXJM-UHFFFAOYSA-N -1 0 345.301 3.648 20 0 EHADRM CC1(C)CCC(CC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)CC1 ZINC000431802188 604814904 /nfs/dbraw/zinc/81/49/04/604814904.db2.gz RSCHLCKVZOXSHT-UHFFFAOYSA-N -1 0 329.440 3.876 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000828765130 604815228 /nfs/dbraw/zinc/81/52/28/604815228.db2.gz XRLJZVZXPLWMBM-NSHDSACASA-N -1 0 331.343 3.954 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)c1c(F)cccc1Cl ZINC000827694627 604827945 /nfs/dbraw/zinc/82/79/45/604827945.db2.gz HTVNJHKZUGHJGF-MRVPVSSYSA-N -1 0 339.725 3.807 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCC2CCC(C(F)(F)F)CC2)cc1F ZINC000833141640 604829662 /nfs/dbraw/zinc/82/96/62/604829662.db2.gz XBMNTQMYAIQEIC-UHFFFAOYSA-N -1 0 347.308 3.622 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)cc1F ZINC000833308951 604830404 /nfs/dbraw/zinc/83/04/04/604830404.db2.gz HQNICDIBKZQZRH-UHFFFAOYSA-N -1 0 345.345 3.683 20 0 EHADRM Cc1oc(CN(C)C(=O)c2ccccc2C(C)(C)C)cc1C(=O)[O-] ZINC000262148575 604832774 /nfs/dbraw/zinc/83/27/74/604832774.db2.gz MRRPMFFHKJUJRH-UHFFFAOYSA-N -1 0 329.396 3.856 20 0 EHADRM C/C(=C/c1cccc(Cl)c1)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000761390105 604835408 /nfs/dbraw/zinc/83/54/08/604835408.db2.gz BGWBWSPNGDZVQH-OJNOIJSXSA-N -1 0 343.810 3.555 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CC[C@@H](C)C2(CCC2)C1)C(=O)[O-] ZINC000833545077 604836453 /nfs/dbraw/zinc/83/64/53/604836453.db2.gz CZOCGOJTRXDPLA-KGLIPLIRSA-N -1 0 347.480 3.904 20 0 EHADRM Cc1cccc(-c2cncc(C(=O)OCc3cc(C(=O)[O-])co3)c2)c1 ZINC000832960023 604848424 /nfs/dbraw/zinc/84/84/24/604848424.db2.gz DZZXGCBGRVSDJD-UHFFFAOYSA-N -1 0 337.331 3.705 20 0 EHADRM Cc1cccc(-c2cncc(C(=O)OCc3occc3C(=O)[O-])c2)c1 ZINC000832960436 604848570 /nfs/dbraw/zinc/84/85/70/604848570.db2.gz HREROMUVJSQYQB-UHFFFAOYSA-N -1 0 337.331 3.705 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N[C@H]2CC23CCCCC3)cc1 ZINC000387213874 604848940 /nfs/dbraw/zinc/84/89/40/604848940.db2.gz YSMJJPXRAXGZGT-HNNXBMFYSA-N -1 0 330.428 3.893 20 0 EHADRM O=C([O-])c1ccc(C(=O)OCc2csc(-c3ccoc3)n2)cc1F ZINC000833353859 604855112 /nfs/dbraw/zinc/85/51/12/604855112.db2.gz VSIAINDEIKEBOA-UHFFFAOYSA-N -1 0 347.323 3.597 20 0 EHADRM O=C([O-])c1ccc(C(=O)OCc2cc(Cl)nc(Cl)c2)cc1F ZINC000833352502 604857332 /nfs/dbraw/zinc/85/73/32/604857332.db2.gz DJDZNHCSJTTYBN-UHFFFAOYSA-N -1 0 344.125 3.583 20 0 EHADRM CC(C)(CC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC000669435846 604860328 /nfs/dbraw/zinc/86/03/28/604860328.db2.gz STNJRNRGEGPURC-KRWDZBQOSA-N -1 0 337.419 3.959 20 0 EHADRM Cc1ccc(Cl)c(NC(=O)N2CCC(CN(C)C(=O)[O-])CC2)c1 ZINC000830323685 604864067 /nfs/dbraw/zinc/86/40/67/604864067.db2.gz HVDJZNNMFLFWPW-UHFFFAOYSA-N -1 0 339.823 3.502 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)[C@@H]2CCCc3sccc32)cc1 ZINC000833281827 604864831 /nfs/dbraw/zinc/86/48/31/604864831.db2.gz NMPGKAROCGGXBW-CQSZACIVSA-N -1 0 330.409 3.574 20 0 EHADRM COc1cc2ccccc2cc1C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000013224048 604864868 /nfs/dbraw/zinc/86/48/68/604864868.db2.gz PCFQTKCEQZOLIV-GOSISDBHSA-N -1 0 349.386 3.794 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)C[C@H](C)Cc1ccc(Cl)cc1 ZINC000263238526 604870541 /nfs/dbraw/zinc/87/05/41/604870541.db2.gz FKORMCFVYPCWOU-CYBMUJFWSA-N -1 0 325.836 3.620 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c(C)n1C(C)C ZINC000236708888 604880246 /nfs/dbraw/zinc/88/02/46/604880246.db2.gz VSIWIQFQPUYKQD-KRWDZBQOSA-N -1 0 328.412 3.632 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000013224952 604882038 /nfs/dbraw/zinc/88/20/38/604882038.db2.gz LLPXCABUZSJKBC-CQSZACIVSA-N -1 0 338.190 3.939 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2ccc3ccccc3c2)C1 ZINC000325236406 604883945 /nfs/dbraw/zinc/88/39/45/604883945.db2.gz CKCUJMBYNVCCSM-KRWDZBQOSA-N -1 0 325.408 3.803 20 0 EHADRM O=C([O-])c1cncc(NC(=O)c2ccccc2Oc2ccccc2)c1 ZINC000833341130 604900474 /nfs/dbraw/zinc/90/04/74/604900474.db2.gz JBEDRUBOJPWDSE-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM Cc1cc(C)cc(CCC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)c1 ZINC000832876060 604905039 /nfs/dbraw/zinc/90/50/39/604905039.db2.gz GSGXWUCVTZTBDX-UHFFFAOYSA-N -1 0 340.423 3.985 20 0 EHADRM CC[C@H](C)C[C@@H](C)NC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000828736482 604920716 /nfs/dbraw/zinc/92/07/16/604920716.db2.gz HUCNAPCPDNYJOE-WDEREUQCSA-N -1 0 342.823 3.750 20 0 EHADRM Cc1nn(Cc2ncc(-c3ccccc3C)o2)c(C)c1[C@H](C)C(=O)[O-] ZINC000833753147 604926647 /nfs/dbraw/zinc/92/66/47/604926647.db2.gz LIPMNKSQXBYSSV-LBPRGKRZSA-N -1 0 339.395 3.700 20 0 EHADRM CCc1ccc(CN(C(=O)c2ccc(C(=O)[O-])c(F)c2)C2CC2)cc1 ZINC000830244678 604929140 /nfs/dbraw/zinc/92/91/40/604929140.db2.gz GJTCBUVIENQCQP-UHFFFAOYSA-N -1 0 341.382 3.891 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1cc2ccccc2o1 ZINC000237950619 604930757 /nfs/dbraw/zinc/93/07/57/604930757.db2.gz LISWNQMPHPXOOV-UHFFFAOYSA-N -1 0 337.375 3.940 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)/C=C/c1ccsc1 ZINC000492331562 604931885 /nfs/dbraw/zinc/93/18/85/604931885.db2.gz QFXPDVWDVPZWDK-CMDGGOBGSA-N -1 0 329.421 3.655 20 0 EHADRM Cc1cccc([C@H](C)C(=O)N(CCCC(=O)[O-])Cc2ccccc2)c1 ZINC000237402999 604936834 /nfs/dbraw/zinc/93/68/34/604936834.db2.gz UYHURMZIWMIDPT-KRWDZBQOSA-N -1 0 339.435 3.992 20 0 EHADRM C[C@H](C(=O)N(CCCC(=O)[O-])Cc1ccccc1)c1ccccc1F ZINC000237403088 604938682 /nfs/dbraw/zinc/93/86/82/604938682.db2.gz KCWHAQAYVDEOSH-HNNXBMFYSA-N -1 0 343.398 3.823 20 0 EHADRM CC(C)c1cc(N(CCC(=O)[O-])Cc2ccncc2)nc(C(C)C)n1 ZINC000833509451 604941931 /nfs/dbraw/zinc/94/19/31/604941931.db2.gz OFJCPJKYDAMUFE-UHFFFAOYSA-N -1 0 342.443 3.600 20 0 EHADRM Cc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000832977237 604943400 /nfs/dbraw/zinc/94/34/00/604943400.db2.gz FSJIPFNPTYONKN-KRWDZBQOSA-N -1 0 327.355 3.810 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000833493026 604951536 /nfs/dbraw/zinc/95/15/36/604951536.db2.gz ILBWBYXYDUCKBN-ZDUSSCGKSA-N -1 0 329.396 3.596 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2O)cc1F ZINC000833150265 604953637 /nfs/dbraw/zinc/95/36/37/604953637.db2.gz FWUSSNKRWFEYLY-UHFFFAOYSA-N -1 0 343.232 3.501 20 0 EHADRM CCC1(C(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)CCCC1 ZINC000829033307 604954603 /nfs/dbraw/zinc/95/46/03/604954603.db2.gz KIRIYQWLQVGZQI-UHFFFAOYSA-N -1 0 344.455 3.758 20 0 EHADRM CCc1nc(NC(=O)C(C)(C)c2ccc(C)cc2)sc1C(=O)[O-] ZINC000833673580 604993331 /nfs/dbraw/zinc/99/33/31/604993331.db2.gz JVRDYKOSRPBJNY-UHFFFAOYSA-N -1 0 332.425 3.628 20 0 EHADRM CCc1nc(NC(=O)CC[C@@H](C)c2ccccc2)sc1C(=O)[O-] ZINC000833675833 604993890 /nfs/dbraw/zinc/99/38/90/604993890.db2.gz IASQOMXIGYBMNB-LLVKDONJSA-N -1 0 332.425 3.926 20 0 EHADRM O=C([O-])[C@@H](Nc1cccc(OCCc2ccccc2)c1)c1cccnc1 ZINC000833171084 604995654 /nfs/dbraw/zinc/99/56/54/604995654.db2.gz UTSFXGNSULOZNR-FQEVSTJZSA-N -1 0 348.402 3.941 20 0 EHADRM CCc1nc(NC(=O)c2csc3ccccc23)sc1C(=O)[O-] ZINC000833675359 604996756 /nfs/dbraw/zinc/99/67/56/604996756.db2.gz NACNPFYIJKJDRN-UHFFFAOYSA-N -1 0 332.406 3.871 20 0 EHADRM CCc1nc(NC(=O)[C@@H](CC)Cc2ccccc2)sc1C(=O)[O-] ZINC000833675283 604996893 /nfs/dbraw/zinc/99/68/93/604996893.db2.gz WPEJTKBUXAMRSZ-LBPRGKRZSA-N -1 0 332.425 3.611 20 0 EHADRM CCC[C@H](C(=O)O[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C)C(C)C ZINC000833647532 605036612 /nfs/dbraw/zinc/03/66/12/605036612.db2.gz GIKHGQLEWBRQRX-ZFWWWQNUSA-N -1 0 349.427 3.636 20 0 EHADRM CC(C)c1cc(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)no1 ZINC000263080125 605043474 /nfs/dbraw/zinc/04/34/74/605043474.db2.gz GWHMFTJVWCBTOB-UHFFFAOYSA-N -1 0 348.424 3.758 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000578778401 605051706 /nfs/dbraw/zinc/05/17/06/605051706.db2.gz SUVGPLZFFAONFS-SFHVURJKSA-N -1 0 347.386 3.561 20 0 EHADRM C[C@@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)[C@@H]1CC1(C)C ZINC000833549810 605060208 /nfs/dbraw/zinc/06/02/08/605060208.db2.gz OZJWQHBNGJGUPX-JSGCOSHPSA-N -1 0 342.395 3.509 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(Br)cc1Cl ZINC000029010285 605064705 /nfs/dbraw/zinc/06/47/05/605064705.db2.gz ZEYIOMVFIAPJQM-UHFFFAOYSA-N -1 0 348.624 3.932 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000190619122 605066047 /nfs/dbraw/zinc/06/60/47/605066047.db2.gz FGMPLCHRBRVVAF-LJQANCHMSA-N -1 0 343.398 3.922 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000191569398 605066301 /nfs/dbraw/zinc/06/63/01/605066301.db2.gz WAZOXSIDBUZBEB-UHFFFAOYSA-N -1 0 346.358 3.843 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NCc1nc(C(F)(F)F)cs1)c1ccccc1 ZINC000833408887 605076087 /nfs/dbraw/zinc/07/60/87/605076087.db2.gz YXWDEMAWXJATSI-TVQRCGJNSA-N -1 0 344.358 3.714 20 0 EHADRM Cc1c(NC(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])cccc1N(C)C ZINC000833742557 605081721 /nfs/dbraw/zinc/08/17/21/605081721.db2.gz UTTXEBNBEMNWDF-HOCLYGCPSA-N -1 0 347.459 3.606 20 0 EHADRM C[C@H](CC(=O)N[C@@H](C(=O)[O-])C1CCCCC1)c1ccc(F)cc1F ZINC000833514116 605084976 /nfs/dbraw/zinc/08/49/76/605084976.db2.gz OABMOUDFHOOAJU-PIGZYNQJSA-N -1 0 339.382 3.608 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)[C@@H]2CCc3c2cccc3Cl)cc1 ZINC000833775955 605085750 /nfs/dbraw/zinc/08/57/50/605085750.db2.gz DNFNLNWXJVZGGP-OAHLLOKOSA-N -1 0 330.767 3.603 20 0 EHADRM C[C@@H]1CC[C@@]2(CCN(C(=O)Nc3cc(C(=O)[O-])c(F)cc3F)C2)C1 ZINC000833609200 605090924 /nfs/dbraw/zinc/09/09/24/605090924.db2.gz GHFXNWHTBZVPAF-BMLIUANNSA-N -1 0 338.354 3.707 20 0 EHADRM CC1(C)CCCN(C(=O)C2CCC(C(=O)[O-])CC2)c2ccccc21 ZINC000833560541 605091719 /nfs/dbraw/zinc/09/17/19/605091719.db2.gz PRIWCKYEAMGDBQ-UHFFFAOYSA-N -1 0 329.440 3.982 20 0 EHADRM C[C@H]1CC[C@@]2(CCN(C(=O)Nc3ccc(CCC(=O)[O-])cc3)C2)C1 ZINC000833610275 605096279 /nfs/dbraw/zinc/09/62/79/605096279.db2.gz KHAWPSYGJLUSIE-IFXJQAMLSA-N -1 0 330.428 3.748 20 0 EHADRM CCC(CC)(CNC(=O)N1CC=C(c2ccc(F)cc2)CC1)C(=O)[O-] ZINC000424410335 605097363 /nfs/dbraw/zinc/09/73/63/605097363.db2.gz IFDQRYJOWBAQDS-UHFFFAOYSA-N -1 0 348.418 3.515 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)N2CC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000833775789 605097500 /nfs/dbraw/zinc/09/75/00/605097500.db2.gz QEPDHSAGDQVUIP-MRXNPFEDSA-N -1 0 344.798 3.946 20 0 EHADRM CCOc1ccc([C@H]2CCCN2C(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000194385509 605098499 /nfs/dbraw/zinc/09/84/99/605098499.db2.gz DQBAYRSGOIDURX-LEOMRAHMSA-N -1 0 345.439 3.640 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc2oc(C(C)C)nc2c1)C(=O)[O-] ZINC000566103224 605100813 /nfs/dbraw/zinc/10/08/13/605100813.db2.gz RDPFQTIOXWNZCS-UHFFFAOYSA-N -1 0 347.415 3.964 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc2nn(C(C)C)cc2c1)C(=O)[O-] ZINC000424382192 605102526 /nfs/dbraw/zinc/10/25/26/605102526.db2.gz NQUJERFEBAZINL-UHFFFAOYSA-N -1 0 346.431 3.630 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Oc1ccc(Oc2ccccn2)cc1 ZINC000833455438 605103825 /nfs/dbraw/zinc/10/38/25/605103825.db2.gz RKCXSSLFYFMDDP-UHFFFAOYSA-N -1 0 329.352 3.670 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)NCC1(C2CC2)CCC1)c1ccccc1 ZINC000833414399 605124971 /nfs/dbraw/zinc/12/49/71/605124971.db2.gz RGIJOTRUVWNLFU-MRXNPFEDSA-N -1 0 344.455 3.718 20 0 EHADRM CCC(CC)n1nc(C(=O)OCc2cc(C(=O)[O-])c(C)o2)cc1C ZINC000833641893 605131147 /nfs/dbraw/zinc/13/11/47/605131147.db2.gz RHTQOZYQHJUUBZ-UHFFFAOYSA-N -1 0 334.372 3.509 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)[C@@H](c1ccccc1)C1CC1 ZINC000833680050 605141624 /nfs/dbraw/zinc/14/16/24/605141624.db2.gz BZQMDZGTLCEGFI-KRWDZBQOSA-N -1 0 328.364 3.777 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)c1ccccc1OC(F)(F)F ZINC000833783764 605146237 /nfs/dbraw/zinc/14/62/37/605146237.db2.gz NHDYRISYSSYXNG-UHFFFAOYSA-N -1 0 325.242 3.536 20 0 EHADRM C[C@H]1C[C@H](C(=O)Nc2sc3c(c2C(=O)[O-])CCCCC3)CCC1=O ZINC000833590191 605146888 /nfs/dbraw/zinc/14/68/88/605146888.db2.gz OTDDEGMFTNKJGR-WDEREUQCSA-N -1 0 349.452 3.659 20 0 EHADRM CC(C)(C)C(=O)c1ccsc1NC(=O)C1CCC(C(=O)[O-])CC1 ZINC000833422579 605150332 /nfs/dbraw/zinc/15/03/32/605150332.db2.gz GJBADABNRRYHJP-UHFFFAOYSA-N -1 0 337.441 3.806 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(CNC(=O)[O-])cc1)C1CCCC1 ZINC000833459208 605154144 /nfs/dbraw/zinc/15/41/44/605154144.db2.gz KRYAWYRPQIPFTA-UHFFFAOYSA-N -1 0 333.432 3.792 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC000262799260 605160867 /nfs/dbraw/zinc/16/08/67/605160867.db2.gz REPCGHYIPTWXNA-UHFFFAOYSA-N -1 0 339.391 3.888 20 0 EHADRM CC1(C)CC[C@H]2C[C@@H](NC(=O)CCSCC(=O)[O-])c3cccc1c32 ZINC000833558125 605160951 /nfs/dbraw/zinc/16/09/51/605160951.db2.gz DQBAJFSDVAFWFI-SWLSCSKDSA-N -1 0 347.480 3.611 20 0 EHADRM C[C@@H](NC(=O)Nc1cc(C(=O)[O-])cs1)c1cccc(F)c1F ZINC000833520178 605161113 /nfs/dbraw/zinc/16/11/13/605161113.db2.gz AUTMPACFUVAYKY-SSDOTTSWSA-N -1 0 326.324 3.607 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)Nc2cc(C(=O)[O-])cs2)c1C(C)C ZINC000583908920 605162737 /nfs/dbraw/zinc/16/27/37/605162737.db2.gz QDVGHFRKJZQQQQ-UHFFFAOYSA-N -1 0 334.397 3.661 20 0 EHADRM CC1(C)Cc2ccc(Cl)cc2[C@@H]1OC(=O)CCCNC(=O)[O-] ZINC000833562084 605175286 /nfs/dbraw/zinc/17/52/86/605175286.db2.gz GYLOSGXDBQRBQX-AWEZNQCLSA-N -1 0 325.792 3.554 20 0 EHADRM C[C@@H](Nc1cncc(C(=O)[O-])n1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000833524107 605194679 /nfs/dbraw/zinc/19/46/79/605194679.db2.gz AMCXONYPUJFZLO-NXEZZACHSA-N -1 0 339.317 3.798 20 0 EHADRM CC[C@@H](C)Oc1cc(C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)ccn1 ZINC000833641332 605207574 /nfs/dbraw/zinc/20/75/74/605207574.db2.gz VKWMQTSMFHZSTP-GFCCVEGCSA-N -1 0 343.383 3.625 20 0 EHADRM C[C@H](CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-])c1ccccc1F ZINC000833512870 605227652 /nfs/dbraw/zinc/22/76/52/605227652.db2.gz BEVZWCRYAHPPAW-CABCVRRESA-N -1 0 343.398 3.821 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000431206011 605229928 /nfs/dbraw/zinc/22/99/28/605229928.db2.gz CKXLWVPDIIPKAC-OAHLLOKOSA-N -1 0 325.408 3.660 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@@H]2CCc3c2cccc3Cl)cc1 ZINC000833775791 605231743 /nfs/dbraw/zinc/23/17/43/605231743.db2.gz QIAAIOOVDOSNBI-OAHLLOKOSA-N -1 0 329.783 3.636 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)c1sccc1Br)C(=O)[O-] ZINC000833428958 605235368 /nfs/dbraw/zinc/23/53/68/605235368.db2.gz DAJDPWLHKOWMLA-QMMMGPOBSA-N -1 0 335.219 3.557 20 0 EHADRM CC(C)COc1cccc(NC(=O)Cc2ccccc2C(=O)[O-])c1 ZINC000325553462 605237588 /nfs/dbraw/zinc/23/75/88/605237588.db2.gz FBZRXWBWUZDYFT-UHFFFAOYSA-N -1 0 327.380 3.601 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000431462943 605240471 /nfs/dbraw/zinc/24/04/71/605240471.db2.gz FAIUORPDTLURKV-CRAIPNDOSA-N -1 0 325.408 3.588 20 0 EHADRM CCOc1cc2c(cc1NCc1ccc(NC(=O)[O-])nc1)O[C@@H](C)C2 ZINC000827423519 605242058 /nfs/dbraw/zinc/24/20/58/605242058.db2.gz QEQHYWQWAOGBTB-NSHDSACASA-N -1 0 343.383 3.506 20 0 EHADRM CN(Cc1ccc(Cl)s1)C(=O)CN(C(=O)[O-])c1ccccc1 ZINC000828354947 605242527 /nfs/dbraw/zinc/24/25/27/605242527.db2.gz GDLPRVHGLAWUNT-UHFFFAOYSA-N -1 0 338.816 3.545 20 0 EHADRM CC(C)(NC(=O)Cc1ccccc1C(=O)[O-])c1ccc(Cl)cc1 ZINC000833459860 605242582 /nfs/dbraw/zinc/24/25/82/605242582.db2.gz JVZBRVYWNGSYFN-UHFFFAOYSA-N -1 0 331.799 3.632 20 0 EHADRM COc1ccc(NC2CCN(C(=O)[O-])CC2)cc1OC1CCCC1 ZINC000829479222 605246584 /nfs/dbraw/zinc/24/65/84/605246584.db2.gz FZVOVRJXWAQQDK-UHFFFAOYSA-N -1 0 334.416 3.571 20 0 EHADRM CN(Cc1cc(F)c(F)c(F)c1)[C@H](C(=O)[O-])c1ccccc1F ZINC000833694303 605246876 /nfs/dbraw/zinc/24/68/76/605246876.db2.gz PJRFJCYRDQYUGE-HNNXBMFYSA-N -1 0 327.277 3.501 20 0 EHADRM Cc1nc(-c2cccc(NC[C@H]3CCCN(C(=O)[O-])C3)c2)oc1C ZINC000830691500 605248276 /nfs/dbraw/zinc/24/82/76/605248276.db2.gz ORHQVHKYGUROTB-CQSZACIVSA-N -1 0 329.400 3.760 20 0 EHADRM O=C([O-])N1CCC[C@H](CNc2ccccc2OCc2cscn2)C1 ZINC000831985764 605252305 /nfs/dbraw/zinc/25/23/05/605252305.db2.gz LUEPBNXQKAUXOP-CYBMUJFWSA-N -1 0 347.440 3.524 20 0 EHADRM O=C([O-])N1CCC[C@H](CNc2cccc(OCc3cscn3)c2)C1 ZINC000831986568 605252449 /nfs/dbraw/zinc/25/24/49/605252449.db2.gz RXUCSRAIDUJGHZ-CYBMUJFWSA-N -1 0 347.440 3.524 20 0 EHADRM C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833550021 605279816 /nfs/dbraw/zinc/27/98/16/605279816.db2.gz PYKNTAVUXYDZLH-JTQLQIEISA-N -1 0 332.335 3.536 20 0 EHADRM C[C@H](c1cccnc1)N(C)C(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833550023 605279826 /nfs/dbraw/zinc/27/98/26/605279826.db2.gz PYKNTAVUXYDZLH-SNVBAGLBSA-N -1 0 332.335 3.536 20 0 EHADRM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833573286 605283893 /nfs/dbraw/zinc/28/38/93/605283893.db2.gz HGPNFPRLYZIZMR-QAPCUYQASA-N -1 0 343.358 3.767 20 0 EHADRM CC(C)(C)OC(=O)c1cccc(/C=C\c2ncc(C(=O)[O-])s2)c1 ZINC000833443929 605288275 /nfs/dbraw/zinc/28/82/75/605288275.db2.gz FINPFPAYXFUBNT-FPLPWBNLSA-N -1 0 331.393 3.967 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)C(F)(F)F ZINC000833426090 605294591 /nfs/dbraw/zinc/29/45/91/605294591.db2.gz ZRVVMYGHTMWKSZ-NSHDSACASA-N -1 0 335.297 3.621 20 0 EHADRM C[C@@H](CSc1ccccc1)c1nc(C[C@H](C)N(C)C(=O)[O-])no1 ZINC000825015132 605306191 /nfs/dbraw/zinc/30/61/91/605306191.db2.gz CHKAMHSRGVIVCH-RYUDHWBXSA-N -1 0 335.429 3.506 20 0 EHADRM C[C@@H](SCc1ccccc1)c1nc(C[C@H](C)N(C)C(=O)[O-])no1 ZINC000825623121 605312342 /nfs/dbraw/zinc/31/23/42/605312342.db2.gz GVAYDCDEXYBJTD-NWDGAFQWSA-N -1 0 335.429 3.605 20 0 EHADRM COCCC[C@@H](C)C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000833725470 605314741 /nfs/dbraw/zinc/31/47/41/605314741.db2.gz ZDSYCUGDXRBVPQ-RNCFNFMXSA-N -1 0 349.210 3.725 20 0 EHADRM CSc1ccc(Cl)c(-c2nc(C[C@@H](C)N(C)C(=O)[O-])no2)c1 ZINC000829760152 605321667 /nfs/dbraw/zinc/32/16/67/605321667.db2.gz HNUDBRFYPNSQQO-MRVPVSSYSA-N -1 0 341.820 3.653 20 0 EHADRM Cc1cccc(CC2CN(C(=O)c3ccc(NC(=O)[O-])c(C)c3)C2)c1 ZINC000830492872 605326318 /nfs/dbraw/zinc/32/63/18/605326318.db2.gz KXWJBKQJAJFUDQ-UHFFFAOYSA-N -1 0 338.407 3.708 20 0 EHADRM Cc1ccc(C(C)C)c(OCc2nc(C[C@@H](C)N(C)C(=O)[O-])no2)c1 ZINC000830251347 605329316 /nfs/dbraw/zinc/32/93/16/605329316.db2.gz OUBBAZQZSATIQQ-CYBMUJFWSA-N -1 0 347.415 3.621 20 0 EHADRM CC[C@@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2)CC[C@H]1NC(=O)[O-] ZINC000833852181 605360426 /nfs/dbraw/zinc/36/04/26/605360426.db2.gz YLSOZCVTMYYJKT-NOZJJQNGSA-N -1 0 345.226 3.502 20 0 EHADRM O=C([O-])N1CC[C@@H](CCC(=O)N2CCC[C@H](c3ccccc3)CC2)C1 ZINC000834075705 605454732 /nfs/dbraw/zinc/45/47/32/605454732.db2.gz LKPPVMHJHQGQRN-AEFFLSMTSA-N -1 0 344.455 3.563 20 0 EHADRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1c1nc(-c2ccc(F)cc2)cs1 ZINC000825844769 605484793 /nfs/dbraw/zinc/48/47/93/605484793.db2.gz LOEVPKXNTVVBAS-GWCFXTLKSA-N -1 0 335.404 3.574 20 0 EHADRM CC(C)(C)SCC(=O)O[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833447201 605488672 /nfs/dbraw/zinc/48/86/72/605488672.db2.gz PEWKLMRXGBPBCR-LBPRGKRZSA-N -1 0 334.796 3.680 20 0 EHADRM CC(C)(C)Sc1cc(C(=O)Nc2ccc(C(=O)[O-])s2)ccn1 ZINC000833448322 605501576 /nfs/dbraw/zinc/50/15/76/605501576.db2.gz ZZZRWCNDKGCLJQ-UHFFFAOYSA-N -1 0 336.438 3.984 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000833660764 605503167 /nfs/dbraw/zinc/50/31/67/605503167.db2.gz SPBZXHZTGQYQIF-UHFFFAOYSA-N -1 0 325.773 3.751 20 0 EHADRM C[C@H](OC(=O)c1ccc(C(=O)[O-])cc1)c1nc2ccccc2s1 ZINC000833530331 605524205 /nfs/dbraw/zinc/52/42/05/605524205.db2.gz BYMCAOBBAAVAMI-JTQLQIEISA-N -1 0 327.361 3.913 20 0 EHADRM CC(C)c1ncc(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)s1 ZINC000824495625 605532184 /nfs/dbraw/zinc/53/21/84/605532184.db2.gz OQMJTTJVPJOWHN-SNVBAGLBSA-N -1 0 333.413 3.847 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@@H](c2cccnc2)C2CC2)c(Cl)c1 ZINC000834255176 605555040 /nfs/dbraw/zinc/55/50/40/605555040.db2.gz GPRUSYDWZBDJFO-OAHLLOKOSA-N -1 0 345.786 3.706 20 0 EHADRM Cc1cc(Br)cc(NC(=O)C2=CCC2)c1NC(=O)[O-] ZINC000833897415 605567007 /nfs/dbraw/zinc/56/70/07/605567007.db2.gz KHMRFEREXJPPKK-UHFFFAOYSA-N -1 0 325.162 3.506 20 0 EHADRM O=C([O-])Nc1cccc(CSc2nnc3[nH]c4ccccc4n32)c1 ZINC000834269958 605573845 /nfs/dbraw/zinc/57/38/45/605573845.db2.gz YYHOOFSMELOJPD-UHFFFAOYSA-N -1 0 339.380 3.593 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)c2ccc(NC(=O)[O-])c(C)c2)cc1F ZINC000829301676 605583151 /nfs/dbraw/zinc/58/31/51/605583151.db2.gz CRBPVDRENUJBNN-LLVKDONJSA-N -1 0 346.358 3.724 20 0 EHADRM Cc1cc(C(=O)Nc2ccn(-c3ccccc3)n2)ccc1NC(=O)[O-] ZINC000829966215 605590817 /nfs/dbraw/zinc/59/08/17/605590817.db2.gz UCFKVGFXKVTOAA-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM O=C([O-])N[C@H](CC(=O)Nc1cccc(C(F)F)c1)c1ccccc1 ZINC000834126404 605602187 /nfs/dbraw/zinc/60/21/87/605602187.db2.gz BLGRDNFLOQADGO-CQSZACIVSA-N -1 0 334.322 3.962 20 0 EHADRM C[C@@H]1CC(C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)C[C@@H](C)C1 ZINC000833594558 605605607 /nfs/dbraw/zinc/60/56/07/605605607.db2.gz OFDYXVFTLITJHD-GJZGRUSLSA-N -1 0 347.455 3.619 20 0 EHADRM O=C([O-])NC1CCC(NC(=O)Nc2csc3ccccc23)CC1 ZINC000834165144 605632567 /nfs/dbraw/zinc/63/25/67/605632567.db2.gz RSFWHFPTVPJJAA-UHFFFAOYSA-N -1 0 333.413 3.602 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(C(F)(F)F)n2)ccc1NC(=O)[O-] ZINC000829965697 605659438 /nfs/dbraw/zinc/65/94/38/605659438.db2.gz FCQUUJJZNJYFDQ-UHFFFAOYSA-N -1 0 339.273 3.751 20 0 EHADRM CC(=O)c1ccc(OC(=O)c2ccc(NC(=O)[O-])c(C)c2)c(F)c1 ZINC000823635943 605676514 /nfs/dbraw/zinc/67/65/14/605676514.db2.gz MDHBADRDTDLPGW-UHFFFAOYSA-N -1 0 331.299 3.646 20 0 EHADRM Cc1cc(C(=O)N(C)c2ccc3ccccc3n2)ccc1NC(=O)[O-] ZINC000829914484 605690403 /nfs/dbraw/zinc/69/04/03/605690403.db2.gz LLUWBSITSMDLMV-UHFFFAOYSA-N -1 0 335.363 3.910 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)c2ncccc2C(F)(F)F)c1 ZINC000834260995 605702001 /nfs/dbraw/zinc/70/20/01/605702001.db2.gz FMNUUOBUIXYQKD-UHFFFAOYSA-N -1 0 343.236 3.582 20 0 EHADRM Cc1ccc2c(c1)N(C(=O)c1ccc(NC(=O)[O-])c(C)c1)C[C@H](C)O2 ZINC000830446276 605706084 /nfs/dbraw/zinc/70/60/84/605706084.db2.gz NNVLVIYVDWUSOQ-ZDUSSCGKSA-N -1 0 340.379 3.821 20 0 EHADRM CCc1cc(C)c(C(=O)N2CCCc3cc(CNC(=O)[O-])ccc32)o1 ZINC000827556430 605709086 /nfs/dbraw/zinc/70/90/86/605709086.db2.gz JWCFYXLRNLTUIW-UHFFFAOYSA-N -1 0 342.395 3.511 20 0 EHADRM Cc1cc(C(=O)N[C@H](C)c2ccc(F)cc2F)ccc1NC(=O)[O-] ZINC000829940440 605709991 /nfs/dbraw/zinc/70/99/91/605709991.db2.gz NFUABOGXLWPVKD-SNVBAGLBSA-N -1 0 334.322 3.854 20 0 EHADRM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(NC(=O)[O-])c(C)c2)C12CCC2 ZINC000827379662 605713345 /nfs/dbraw/zinc/71/33/45/605713345.db2.gz LYKIRCLQUBWIJK-JKSUJKDBSA-N -1 0 346.427 3.505 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)Cc1cccc(NC(=O)[O-])c1)C(C)C ZINC000833910992 605769444 /nfs/dbraw/zinc/76/94/44/605769444.db2.gz RFPKWSZBHZWLQR-KRWDZBQOSA-N -1 0 341.411 3.536 20 0 EHADRM CNC(=O)c1ccc(CSCc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000833700001 605789028 /nfs/dbraw/zinc/78/90/28/605789028.db2.gz FZZAKWFJLIXSOY-UHFFFAOYSA-N -1 0 349.839 3.831 20 0 EHADRM C[C@@H](OC(=O)Cc1cccc(C(=O)[O-])c1)c1nc(C2CC2)cs1 ZINC000833530435 605795665 /nfs/dbraw/zinc/79/56/65/605795665.db2.gz HYAUCQVAMAGMRQ-SNVBAGLBSA-N -1 0 331.393 3.566 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N(c2ccccn2)C2CCCC2)c1 ZINC000834264015 605816424 /nfs/dbraw/zinc/81/64/24/605816424.db2.gz IOGYMBNRBDYRGA-UHFFFAOYSA-N -1 0 339.395 3.690 20 0 EHADRM CCCN(C(=O)C[C@H](C)c1ccccc1)C1CCN(C(=O)[O-])CC1 ZINC000826859459 605820052 /nfs/dbraw/zinc/82/00/52/605820052.db2.gz SXDXFFZNLSESEY-HNNXBMFYSA-N -1 0 332.444 3.561 20 0 EHADRM C[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2F)C[C@@H](c2ccsc2)O1 ZINC000833630894 605838744 /nfs/dbraw/zinc/83/87/44/605838744.db2.gz YOMLICZIEZIVTR-BZNIZROVSA-N -1 0 335.400 3.547 20 0 EHADRM C[C@H]1CN(Cc2cc(C(=O)[O-])ccc2Cl)c2ccccc2NC1=O ZINC000833629105 605841059 /nfs/dbraw/zinc/84/10/59/605841059.db2.gz FCQRIZYOCGQBMO-NSHDSACASA-N -1 0 344.798 3.633 20 0 EHADRM C/C(=C\CN[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)C(=O)[O-] ZINC000833381863 605852492 /nfs/dbraw/zinc/85/24/92/605852492.db2.gz FANOETSNAGWBFG-IOCXFXADSA-N -1 0 339.260 3.512 20 0 EHADRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000825800271 605864097 /nfs/dbraw/zinc/86/40/97/605864097.db2.gz CPJCTJQCCODJAE-OEEDQJSGSA-N -1 0 348.487 3.630 20 0 EHADRM Cc1ccc(C(=O)N(CCc2nccs2)C(C)C)cc1NC(=O)[O-] ZINC000833902897 606001157 /nfs/dbraw/zinc/00/11/57/606001157.db2.gz SCWLMMOSCIWESU-UHFFFAOYSA-N -1 0 347.440 3.635 20 0 EHADRM O=C([O-])N1CCC(CCC(=O)N2CCC[C@]3(CC=CCC3)C2)CC1 ZINC000834075903 606047772 /nfs/dbraw/zinc/04/77/72/606047772.db2.gz MUCJCQCGGNIMPC-LJQANCHMSA-N -1 0 334.460 3.506 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)Nc1cccc(N2CCCC2)c1 ZINC000834274695 606049294 /nfs/dbraw/zinc/04/92/94/606049294.db2.gz VULJHBYIFYMFCR-UHFFFAOYSA-N -1 0 339.395 3.558 20 0 EHADRM O=C([O-])N1CCC(CCC(=O)N2CCCCC[C@H]2c2ccco2)CC1 ZINC000834075716 606054028 /nfs/dbraw/zinc/05/40/28/606054028.db2.gz LLYQCIFTVHZQHZ-INIZCTEOSA-N -1 0 348.443 3.894 20 0 EHADRM FC(F)(F)CCCCSCCOc1cccc(-c2nn[nH]n2)c1 ZINC000826367792 607785135 /nfs/dbraw/zinc/78/51/35/607785135.db2.gz OHIIOADMEDMXCH-UHFFFAOYSA-N -1 0 346.378 3.711 20 0 EHADRM CC1CCC(NC(=O)c2cc(F)c(Cl)cc2Cl)(C(=O)[O-])CC1 ZINC000236683779 939044200 /nfs/dbraw/zinc/04/42/00/939044200.db2.gz XHNBVGQGQFLOIX-UHFFFAOYSA-N -1 0 348.201 3.896 20 0 EHADRM CCc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccccc2F)cc1CC ZINC000684749179 939051747 /nfs/dbraw/zinc/05/17/47/939051747.db2.gz XEKJUYAXSKXMAY-KRWDZBQOSA-N -1 0 344.386 3.898 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl)c1ccccc1 ZINC000238007894 939053859 /nfs/dbraw/zinc/05/38/59/939053859.db2.gz UXPSNGODODBESG-WQGACYEGSA-N -1 0 347.773 3.525 20 0 EHADRM C/C(=C\C(=O)N[C@](C)(C(=O)[O-])c1ccccc1)c1ccccc1Cl ZINC000766961307 939081649 /nfs/dbraw/zinc/08/16/49/939081649.db2.gz FFSKVHQHLZQGGD-HYSAVQALSA-N -1 0 343.810 3.860 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N[C@@](C)(C(=O)[O-])c3ccccc3)cc2c1C ZINC000766963983 939084569 /nfs/dbraw/zinc/08/45/69/939084569.db2.gz XTZMERYZZLGXRD-HXUWFJFHSA-N -1 0 336.391 3.515 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC000263035726 939094609 /nfs/dbraw/zinc/09/46/09/939094609.db2.gz REWOWNSYVPIALN-PMPSAXMXSA-N -1 0 343.448 3.719 20 0 EHADRM CC[C@](NC(=O)c1cc(C(C)C)oc1C)(C(=O)[O-])c1ccccc1 ZINC000263102128 939100013 /nfs/dbraw/zinc/10/00/13/939100013.db2.gz IWVPZYWITKHRAD-LJQANCHMSA-N -1 0 329.396 3.831 20 0 EHADRM C/C(=C/C(=O)N[C@@H](C(=O)[O-])c1ccccc1F)c1ccccc1Cl ZINC000776666744 939103958 /nfs/dbraw/zinc/10/39/58/939103958.db2.gz VMUGDZSDZJTLAY-QXPKXGMISA-N -1 0 347.773 3.825 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000314553008 939120495 /nfs/dbraw/zinc/12/04/95/939120495.db2.gz VNPCOKLSRQQUNG-CYBMUJFWSA-N -1 0 339.178 3.941 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CCc1ccc(-c2ccccc2)[nH]1)c1ccccc1 ZINC000342380954 939128448 /nfs/dbraw/zinc/12/84/48/939128448.db2.gz JLDZSXSXVVWVAH-FQEVSTJZSA-N -1 0 348.402 3.556 20 0 EHADRM CCc1ccccc1C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000434790782 939184793 /nfs/dbraw/zinc/18/47/93/939184793.db2.gz YPZJYJXJGGJVSB-LJQANCHMSA-N -1 0 333.387 3.958 20 0 EHADRM CCC[C@H](C(=O)N[C@H](C(=O)[O-])c1ccc(OC(F)F)cc1)C(C)C ZINC000450514431 939207960 /nfs/dbraw/zinc/20/79/60/939207960.db2.gz ZWWJYMVYFUQUFI-KBPBESRZSA-N -1 0 343.370 3.602 20 0 EHADRM CC[C@@](NC(=O)[C@H](C)c1ccccc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507281389 939231453 /nfs/dbraw/zinc/23/14/53/939231453.db2.gz PYLVLPVIYKRBSA-YJYMSZOUSA-N -1 0 345.826 3.950 20 0 EHADRM CC[C@](NC(=O)CCc1ccc(C)o1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507335729 939236550 /nfs/dbraw/zinc/23/65/50/939236550.db2.gz XHYZQBCLSOBDLS-GOSISDBHSA-N -1 0 349.814 3.680 20 0 EHADRM CC(C)c1ccc(CCC(=O)N[C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC000516315541 939243714 /nfs/dbraw/zinc/24/37/14/939243714.db2.gz NHUJDOYNUOJPNJ-QGZVFWFLSA-N -1 0 331.437 3.746 20 0 EHADRM CC(C)(C)OC(=O)N[C@](C)(C(=O)[O-])c1ccc(-c2ccncc2)cc1 ZINC000863974310 939246011 /nfs/dbraw/zinc/24/60/11/939246011.db2.gz YOMWUEPJHDZLSO-IBGZPJMESA-N -1 0 342.395 3.573 20 0 EHADRM CCCc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)s1 ZINC000864115035 939247081 /nfs/dbraw/zinc/24/70/81/939247081.db2.gz KIEVUOTZIOFZIV-CQSZACIVSA-N -1 0 339.363 3.535 20 0 EHADRM Cc1cc(C)cc([C@H](NC(=O)c2sccc2C(F)F)C(=O)[O-])c1 ZINC000872729548 939263140 /nfs/dbraw/zinc/26/31/40/939263140.db2.gz WRMDYMVNBHKQGK-LBPRGKRZSA-N -1 0 339.363 3.858 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CCCC12CC2)c1cccc(C(F)(F)F)c1 ZINC000872745280 939263673 /nfs/dbraw/zinc/26/36/73/939263673.db2.gz JNVIGFJFYAGFOG-STQMWFEESA-N -1 0 341.329 3.528 20 0 EHADRM C[C@@H](NC(=O)NC1(C(=O)[O-])CCC1)c1cc(F)c(Cl)cc1Cl ZINC000555845663 939304278 /nfs/dbraw/zinc/30/42/78/939304278.db2.gz WNSXUDNGPLAQAU-SSDOTTSWSA-N -1 0 349.189 3.500 20 0 EHADRM CSc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1 ZINC000562433462 939328819 /nfs/dbraw/zinc/32/88/19/939328819.db2.gz BLRRGVQXRDXKIX-MRXNPFEDSA-N -1 0 344.436 3.973 20 0 EHADRM CC(C)COc1cccc(NC(=O)NC2(C(=O)[O-])CCCCC2)c1 ZINC000563919669 939342076 /nfs/dbraw/zinc/34/20/76/939342076.db2.gz YINCEWCAWNKYCK-UHFFFAOYSA-N -1 0 334.416 3.630 20 0 EHADRM CC[C@](NC(=O)[C@H](C)OC1CCCCCC1)(C(=O)[O-])c1ccccc1 ZINC000567535116 939362564 /nfs/dbraw/zinc/36/25/64/939362564.db2.gz XCUOVKXEZXCERJ-MGPUTAFESA-N -1 0 347.455 3.621 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2ccc3c(c2)C(=O)CCC3)CCCCCC1 ZINC000571481148 939391925 /nfs/dbraw/zinc/39/19/25/939391925.db2.gz BRCOAPARHONOQD-UHFFFAOYSA-N -1 0 344.411 3.505 20 0 EHADRM CC(C)COc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccsc2)c1 ZINC000573062554 939404962 /nfs/dbraw/zinc/40/49/62/939404962.db2.gz HQOGMEKBPBQGET-OAHLLOKOSA-N -1 0 348.424 3.730 20 0 EHADRM COc1ccc([C@@H](NC(=O)Nc2ccc(C)cc2)C(=O)[O-])cc1Cl ZINC000574746234 939728831 /nfs/dbraw/zinc/72/88/31/939728831.db2.gz JMNNEPYIXIRWLZ-OAHLLOKOSA-N -1 0 348.786 3.604 20 0 EHADRM Cc1cccc([C@@H](NC(=O)Nc2ccc(F)c(F)c2)C(=O)[O-])c1C ZINC000575435034 939733448 /nfs/dbraw/zinc/73/34/48/939733448.db2.gz KPJNJBXWLQBFIK-OAHLLOKOSA-N -1 0 334.322 3.529 20 0 EHADRM CCC[C@H](C(=O)N[C@@H](C(=O)[O-])c1cccnc1)c1cccc(Cl)c1 ZINC000910987620 939765976 /nfs/dbraw/zinc/76/59/76/939765976.db2.gz CBGQYLIFVJOSTQ-JKSUJKDBSA-N -1 0 346.814 3.561 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1ccc(C2CCC2)cc1)c1ccc(O)cc1 ZINC000580283590 939769666 /nfs/dbraw/zinc/76/96/66/939769666.db2.gz GUVMYKMFKJKFKH-QGZVFWFLSA-N -1 0 340.379 3.607 20 0 EHADRM Cc1cc([C@H](NC(=O)c2cccc(C3CC3)c2)C(=O)[O-])ccc1F ZINC000581320917 939777044 /nfs/dbraw/zinc/77/70/44/939777044.db2.gz RUSMUECITYANDO-KRWDZBQOSA-N -1 0 327.355 3.567 20 0 EHADRM O=C([O-])[C@@H](NC(=O)C[C@H]1CCCc2ccccc21)c1ccsc1 ZINC000581381616 939777501 /nfs/dbraw/zinc/77/75/01/939777501.db2.gz PHIWDFMZGJDAJT-DYVFJYSZSA-N -1 0 329.421 3.500 20 0 EHADRM CC1(C)CCC[C@](NC(=O)c2ccc(C(F)F)cc2F)(C(=O)[O-])C1 ZINC000630247590 939820241 /nfs/dbraw/zinc/82/02/41/939820241.db2.gz JZJMVCHSJSWYBM-QGZVFWFLSA-N -1 0 343.345 3.917 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cccc(C2CCCC2)c1)c1cccs1 ZINC000659150813 939847927 /nfs/dbraw/zinc/84/79/27/939847927.db2.gz FSQFRWXMQOGFMD-MRXNPFEDSA-N -1 0 329.421 3.961 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1nc(-c2cccc(Cl)c2)cs1)C1CC1 ZINC000663101547 939854793 /nfs/dbraw/zinc/85/47/93/939854793.db2.gz SNBJMZBZAXGJDD-GFCCVEGCSA-N -1 0 336.800 3.513 20 0 EHADRM Cc1cccc2c1CCC[C@H]2NC(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC000663268260 939859357 /nfs/dbraw/zinc/85/93/57/939859357.db2.gz BFOWUCKYXFISOX-GDBMZVCRSA-N -1 0 344.436 3.559 20 0 EHADRM CC(C)(c1ccc(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)cc1)C(F)(F)F ZINC000668277748 939860568 /nfs/dbraw/zinc/86/05/68/939860568.db2.gz PFQXZIVBAUAHHD-MRXNPFEDSA-N -1 0 343.345 3.510 20 0 EHADRM C[C@@](NC(=O)c1cccc(-c2ccoc2)c1)(C(=O)[O-])c1ccccc1 ZINC000683306894 939870273 /nfs/dbraw/zinc/87/02/73/939870273.db2.gz GWUIIJXEYHUKQV-FQEVSTJZSA-N -1 0 335.359 3.676 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccccc1F ZINC000683318024 939870838 /nfs/dbraw/zinc/87/08/38/939870838.db2.gz DWEPOLIUBSZXTB-ZJOBFFGXSA-N -1 0 333.403 3.674 20 0 EHADRM Cc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccccc2F)cc1Cl ZINC000683921345 939871174 /nfs/dbraw/zinc/87/11/74/939871174.db2.gz NJDQIWMUNBZPEV-AWEZNQCLSA-N -1 0 336.750 3.735 20 0 EHADRM CCC[C@@H](C)NC(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000684711063 939871325 /nfs/dbraw/zinc/87/13/25/939871325.db2.gz ONRUGPYQPLUKKF-PSLIRLAXSA-N -1 0 347.242 3.781 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)c1cccc(Cl)n1 ZINC000321472562 970775595 /nfs/dbraw/zinc/77/55/95/970775595.db2.gz QHJLPUHLEXOKJZ-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM Cc1cc(F)c(C(F)(F)F)cc1NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001600226023 970778415 /nfs/dbraw/zinc/77/84/15/970778415.db2.gz XJUPCKJNENBLBS-BDAKNGLRSA-N -1 0 348.296 3.528 20 0 EHADRM CC[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000321588539 970786376 /nfs/dbraw/zinc/78/63/76/970786376.db2.gz DTOIDALEUQBOBR-ZANVPECISA-N -1 0 326.343 3.753 20 0 EHADRM O=C([O-])Cc1ccccc1CSc1ccc2c(c1)OCCCO2 ZINC000321826826 970813273 /nfs/dbraw/zinc/81/32/73/970813273.db2.gz FNSRIQGHDPSCOR-UHFFFAOYSA-N -1 0 330.405 3.767 20 0 EHADRM COc1ccc(N[C@H](C(=O)[O-])c2ccccc2C(F)(F)F)cc1 ZINC000321963972 970830783 /nfs/dbraw/zinc/83/07/83/970830783.db2.gz JFWWKWSONXFAKL-AWEZNQCLSA-N -1 0 325.286 3.952 20 0 EHADRM C[C@H]1CCC[C@H](N(C)C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C1 ZINC000322037019 970838983 /nfs/dbraw/zinc/83/89/83/970838983.db2.gz FYRGAVGRZWPIFH-ONGXEEELSA-N -1 0 326.343 3.705 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCCc2cccs2)c2ccccc21 ZINC000322305194 970870803 /nfs/dbraw/zinc/87/08/03/970870803.db2.gz ALZLFKUOSJHLQN-OAHLLOKOSA-N -1 0 329.421 3.676 20 0 EHADRM CCCC[C@H](CC)CNC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000322749588 970926010 /nfs/dbraw/zinc/92/60/10/970926010.db2.gz BSYMFHYXBFZSJP-LSDHHAIUSA-N -1 0 326.481 3.735 20 0 EHADRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1C[C@H]1c1ccccc1 ZINC000323270809 970984953 /nfs/dbraw/zinc/98/49/53/970984953.db2.gz FYXBCILLROBAHH-FZMZJTMJSA-N -1 0 332.743 3.914 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)c1ccc(C(F)(F)F)cn1 ZINC000323401301 971000122 /nfs/dbraw/zinc/00/01/22/971000122.db2.gz KVZMPHJYLQJXBY-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2ccnc(Cl)c2s1)c1ccccc1 ZINC001601568710 971018302 /nfs/dbraw/zinc/01/83/02/971018302.db2.gz DOKSVMULEOKQEE-LBPRGKRZSA-N -1 0 346.795 3.505 20 0 EHADRM O=C([O-])c1cncc(NC(=O)N[C@H]2CCC[C@H](c3ccccc3)C2)c1 ZINC001601628461 971034172 /nfs/dbraw/zinc/03/41/72/971034172.db2.gz MFYXPLAJQWJFKU-HOCLYGCPSA-N -1 0 339.395 3.628 20 0 EHADRM COc1ccccc1-n1c(-c2ccccc2)cnc1SCC(=O)[O-] ZINC000323955620 971066268 /nfs/dbraw/zinc/06/62/68/971066268.db2.gz PVJMMHPZXNLLIU-UHFFFAOYSA-N -1 0 340.404 3.725 20 0 EHADRM Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000324004780 971072653 /nfs/dbraw/zinc/07/26/53/971072653.db2.gz HDSGWAJVVCLIQT-UHFFFAOYSA-N -1 0 342.376 3.970 20 0 EHADRM O=C([O-])c1ccc([N+](=O)[O-])c(OCCSc2ccc(F)cc2)c1 ZINC000324076110 971081272 /nfs/dbraw/zinc/08/12/72/971081272.db2.gz ANHOEPQAPHZFIS-UHFFFAOYSA-N -1 0 337.328 3.603 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)CCc1ccc([C@H]2C[C@H]2C)o1 ZINC000324109888 971085127 /nfs/dbraw/zinc/08/51/27/971085127.db2.gz NIFIZKPVIQNZTG-ABAIWWIYSA-N -1 0 327.380 3.981 20 0 EHADRM C[C@H]1CCC[C@@H](CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000324230041 971098722 /nfs/dbraw/zinc/09/87/22/971098722.db2.gz GZASVOIEFNOJOB-VHSXEESVSA-N -1 0 326.343 3.611 20 0 EHADRM CC[C@H](NC(=O)CC1(CC(=O)[O-])CCCC1)c1ccc(OC)cc1 ZINC000324461549 971122848 /nfs/dbraw/zinc/12/28/48/971122848.db2.gz GSOSGEFBSZLMRA-INIZCTEOSA-N -1 0 333.428 3.688 20 0 EHADRM Cc1ccccc1[C@@H](C)NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000324698480 971149801 /nfs/dbraw/zinc/14/98/01/971149801.db2.gz OXKJWWXSWODTAG-CQSZACIVSA-N -1 0 326.396 3.596 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)Cn2c(C)cc3ccccc32)s1 ZINC000324699871 971149852 /nfs/dbraw/zinc/14/98/52/971149852.db2.gz XXVQJMHETZDDFF-UHFFFAOYSA-N -1 0 342.420 3.911 20 0 EHADRM O=C([O-])c1c(NC(=O)c2ccc3c(c2)COC3)sc2c1CCCC2 ZINC000324970405 971173235 /nfs/dbraw/zinc/17/32/35/971173235.db2.gz PJARINPXBDSRJY-UHFFFAOYSA-N -1 0 343.404 3.608 20 0 EHADRM CN(Cc1nc2ccccc2s1)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000325127896 971187739 /nfs/dbraw/zinc/18/77/39/971187739.db2.gz GHBWOHZBFRPDHL-UHFFFAOYSA-N -1 0 346.452 3.680 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)c2cc3ccc(F)cc3s2)cc1 ZINC000325183214 971191273 /nfs/dbraw/zinc/19/12/73/971191273.db2.gz BAUHLTMEDVZDKN-UHFFFAOYSA-N -1 0 343.379 3.711 20 0 EHADRM O=C([O-])c1cccc(C(=O)NCc2ccc(Oc3ccccc3)nc2)c1 ZINC001602433064 971194699 /nfs/dbraw/zinc/19/46/99/971194699.db2.gz FBIRCKKBQKFNIP-UHFFFAOYSA-N -1 0 348.358 3.502 20 0 EHADRM O=C([O-])c1ccccc1CCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000325243110 971197301 /nfs/dbraw/zinc/19/73/01/971197301.db2.gz IINHJUGEVNRVHP-USXIJHARSA-N -1 0 329.440 3.650 20 0 EHADRM FC(F)(F)CCc1cccc(Nc2ncccc2-c2nn[nH]n2)c1 ZINC000822718715 946163560 /nfs/dbraw/zinc/16/35/60/946163560.db2.gz POVDGASAEJOSHN-UHFFFAOYSA-N -1 0 334.305 3.500 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)c2ccc3c(c2)CCCC3)cc1F ZINC000325535414 971225244 /nfs/dbraw/zinc/22/52/44/971225244.db2.gz GCUARIDMQXIILK-UHFFFAOYSA-N -1 0 331.318 3.794 20 0 EHADRM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C1 ZINC000326094789 971266961 /nfs/dbraw/zinc/26/69/61/971266961.db2.gz TXJFFGQLFMGUCP-RDBSUJKOSA-N -1 0 332.444 3.947 20 0 EHADRM COc1cccc(Cl)c1CNC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000326164511 971271422 /nfs/dbraw/zinc/27/14/22/971271422.db2.gz WHFSZPZCEZVFLW-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM CCc1ccc(NC(=O)c2ccc(C(F)(F)F)nc2)c(C(=O)[O-])c1 ZINC000326590965 971307022 /nfs/dbraw/zinc/30/70/22/971307022.db2.gz KERDWEGVZBVJCK-UHFFFAOYSA-N -1 0 338.285 3.613 20 0 EHADRM CCc1ccc(CCC(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])cc1 ZINC000326599114 971308461 /nfs/dbraw/zinc/30/84/61/971308461.db2.gz KGDQRFLPBQJQDY-SFHVURJKSA-N -1 0 331.456 3.721 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000326658182 971313767 /nfs/dbraw/zinc/31/37/67/971313767.db2.gz ZPKVLMFGOYXDTQ-BFHYXJOUSA-N -1 0 349.393 3.895 20 0 EHADRM COc1cc(NC(=O)c2cc3cc(F)ccc3s2)ccc1C(=O)[O-] ZINC000326710030 971319538 /nfs/dbraw/zinc/31/95/38/971319538.db2.gz AGFBPYODDWLABM-UHFFFAOYSA-N -1 0 345.351 4.000 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1F ZINC000326812963 971330664 /nfs/dbraw/zinc/33/06/64/971330664.db2.gz DTLWSDHKAVFOOI-UHFFFAOYSA-N -1 0 335.350 3.818 20 0 EHADRM C[C@@H](CCc1ccccc1)NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000326873771 971338915 /nfs/dbraw/zinc/33/89/15/971338915.db2.gz YIFYPHHFDYDNNZ-NSHDSACASA-N -1 0 348.349 3.806 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC000326969206 971350859 /nfs/dbraw/zinc/35/08/59/971350859.db2.gz LJDRBXVOOXCURH-UHFFFAOYSA-N -1 0 339.322 3.781 20 0 EHADRM O=C([O-])Cc1ccccc1CNC(=O)Nc1cccc2c1CCCC2 ZINC000326974378 971352733 /nfs/dbraw/zinc/35/27/33/971352733.db2.gz RJZALCVUULCXKV-UHFFFAOYSA-N -1 0 338.407 3.514 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)Nc1ccc2c(c1)Cc1ccccc1-2)C1CC1 ZINC000327067502 971363202 /nfs/dbraw/zinc/36/32/02/971363202.db2.gz ZMJXUPXJCSJOEK-GOSISDBHSA-N -1 0 336.391 3.633 20 0 EHADRM CCCC[C@@H](CCC)NC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000327088659 971365419 /nfs/dbraw/zinc/36/54/19/971365419.db2.gz ISDILDMPPMHNKY-QGZVFWFLSA-N -1 0 332.444 3.811 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)Nc1ccccc1Cc1ccccc1 ZINC000327192506 971376352 /nfs/dbraw/zinc/37/63/52/971376352.db2.gz LWVLMOUJQRMUCH-AEFFLSMTSA-N -1 0 338.407 3.652 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)Nc2ccc3ccccc3c2)c1 ZINC000327484522 971402433 /nfs/dbraw/zinc/40/24/33/971402433.db2.gz CLKLIOVIIAJYQB-UHFFFAOYSA-N -1 0 334.375 3.902 20 0 EHADRM CC[C@H](CNc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001589555151 948783926 /nfs/dbraw/zinc/78/39/26/948783926.db2.gz IGKNYMJNSVPMTA-CQSZACIVSA-N -1 0 341.411 3.705 20 0 EHADRM COc1ccc2cc([C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc2c1 ZINC000028251300 948797653 /nfs/dbraw/zinc/79/76/53/948797653.db2.gz WHRJKWKTBXHAFX-UGSOOPFHSA-N -1 0 343.423 3.567 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)N1CCC[C@@](CC)(C(=O)[O-])C1 ZINC001589561132 948809509 /nfs/dbraw/zinc/80/95/09/948809509.db2.gz ILKJLRDYOBVNQI-FXAWDEMLSA-N -1 0 331.456 3.667 20 0 EHADRM CC[C@H](NC(=O)NCC(CC)(CC)C(=O)[O-])c1ccc(F)cc1F ZINC001589564682 948844375 /nfs/dbraw/zinc/84/43/75/948844375.db2.gz PYZHFGXGBJDTEH-AWEZNQCLSA-N -1 0 342.386 3.606 20 0 EHADRM O=C([O-])CC1(CC(=O)NCc2ccccc2C(F)(F)F)CCCC1 ZINC000336877736 971516594 /nfs/dbraw/zinc/51/65/94/971516594.db2.gz UWTGKRCSIINQKQ-UHFFFAOYSA-N -1 0 343.345 3.747 20 0 EHADRM COc1cc(C(=O)[O-])cc(NCc2ccsc2Cl)c1OC ZINC000340682932 971517510 /nfs/dbraw/zinc/51/75/10/971517510.db2.gz QPJXDUNHTIMJJA-UHFFFAOYSA-N -1 0 327.789 3.729 20 0 EHADRM CCCC[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000345206648 971518649 /nfs/dbraw/zinc/51/86/49/971518649.db2.gz HJMAGDLMAQBBMI-SFHVURJKSA-N -1 0 325.408 3.656 20 0 EHADRM CCOc1cccc([C@H](C)NC(=O)CC2(CC(=O)[O-])CCCC2)c1 ZINC000345106827 971519219 /nfs/dbraw/zinc/51/92/19/971519219.db2.gz RQXXZRNWUDWHAI-AWEZNQCLSA-N -1 0 333.428 3.688 20 0 EHADRM Cc1nc2sc3c(c2c(N[C@H](C(=O)[O-])C(C)C)n1)CC[C@H](C)C3 ZINC000058279782 948939738 /nfs/dbraw/zinc/93/97/38/948939738.db2.gz SRSVDXGMXKMWIM-XPTSAGLGSA-N -1 0 333.457 3.646 20 0 EHADRM CCCC[C@@H](NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000347255815 971522089 /nfs/dbraw/zinc/52/20/89/971522089.db2.gz DSHTWXLVHVNMMQ-NOZJJQNGSA-N -1 0 332.227 3.857 20 0 EHADRM CCCC[C@@H](NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000347254771 971522114 /nfs/dbraw/zinc/52/21/14/971522114.db2.gz BOJOQCRIGWNDJW-BXUZGUMPSA-N -1 0 345.361 3.959 20 0 EHADRM CCCC[C@@H](NC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000347256844 971522235 /nfs/dbraw/zinc/52/22/35/971522235.db2.gz GTZAUTLCXDJBIL-IINYFYTJSA-N -1 0 346.254 3.932 20 0 EHADRM CC[C@H](OC(=O)c1ccc(C(=O)[O-])nc1)C(C)(C)c1ccccc1 ZINC001589580071 949006417 /nfs/dbraw/zinc/00/64/17/949006417.db2.gz UZDVNOULBRYHIA-INIZCTEOSA-N -1 0 327.380 3.693 20 0 EHADRM CCO[C@H](CCNC(=O)CC1(CC(=O)[O-])CCCC1)C1CCCC1 ZINC000352493055 971528713 /nfs/dbraw/zinc/52/87/13/971528713.db2.gz OBXGOHKCKVHTFI-MRXNPFEDSA-N -1 0 339.476 3.513 20 0 EHADRM O=C([O-])c1coc(C(=O)NCc2ccc(Oc3ccccc3)cc2)c1 ZINC000352389934 971528790 /nfs/dbraw/zinc/52/87/90/971528790.db2.gz AIBSUMTVYYBNQA-UHFFFAOYSA-N -1 0 337.331 3.700 20 0 EHADRM CN(Cc1ccc2ccccc2c1)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000358581587 971531665 /nfs/dbraw/zinc/53/16/65/971531665.db2.gz BHGBMPXTMBSATK-UHFFFAOYSA-N -1 0 337.350 3.949 20 0 EHADRM C[C@@H](C(=O)Nc1ccnc(C(=O)[O-])c1)c1ccccc1C(F)(F)F ZINC001602795540 971557429 /nfs/dbraw/zinc/55/74/29/971557429.db2.gz IKWROYOWUGLJRL-SECBINFHSA-N -1 0 338.285 3.541 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cccc(OC(C)(C)C)c2)C1 ZINC001589604833 949235505 /nfs/dbraw/zinc/23/55/05/949235505.db2.gz MLLJINWLMJPGRW-IBGZPJMESA-N -1 0 333.428 3.581 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N(CC(F)(F)F)c2ccccc2)o1 ZINC001595224777 949278465 /nfs/dbraw/zinc/27/84/65/949278465.db2.gz AKBRJEDEBQZEGC-CLFYSBASSA-N -1 0 339.269 3.587 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2ccc(Cl)c3ncccc23)cc1 ZINC001595231169 949349926 /nfs/dbraw/zinc/34/99/26/949349926.db2.gz ZKAFGTIOCJNBEW-UHFFFAOYSA-N -1 0 340.766 3.516 20 0 EHADRM O=C([O-])c1ccccc1C[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC001595255013 949584955 /nfs/dbraw/zinc/58/49/55/949584955.db2.gz CKHFMGWNCFADEP-UHFFFAOYSA-N -1 0 348.402 3.649 20 0 EHADRM CCC[C@@H]1CCC[C@@H]1C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001589637566 949630768 /nfs/dbraw/zinc/63/07/68/949630768.db2.gz KRIHFZUQTXOCPG-MNOVXSKESA-N -1 0 337.441 3.674 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)[C@H]2CC[C@@H]2c2ccc(Cl)cc2F)c1 ZINC001595262912 949706806 /nfs/dbraw/zinc/70/68/06/949706806.db2.gz ZPURCUBOJYYPFZ-YPMHNXCESA-N -1 0 348.761 3.705 20 0 EHADRM O=C([O-])c1cncc(NC(=O)[C@H]2C[C@H]2c2cccc3ccccc32)c1 ZINC001595271189 949827011 /nfs/dbraw/zinc/82/70/11/949827011.db2.gz MVZIKBZPXLGTCQ-ROUUACIJSA-N -1 0 332.359 3.675 20 0 EHADRM O=C([O-])c1csc(SCCC(=O)Nc2ccccc2Cl)n1 ZINC000379191772 971611849 /nfs/dbraw/zinc/61/18/49/971611849.db2.gz VYGKAIMYLYOEID-UHFFFAOYSA-N -1 0 342.829 3.616 20 0 EHADRM C[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccc1Br)C(C)(C)C ZINC000235192018 949851518 /nfs/dbraw/zinc/85/15/18/949851518.db2.gz VPPYZKANMQITBC-MRVPVSSYSA-N -1 0 343.221 3.703 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC000236798685 949936642 /nfs/dbraw/zinc/93/66/42/949936642.db2.gz LPFLRJMGMIGQQR-HOTGVXAUSA-N -1 0 347.455 3.681 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000236882429 949942521 /nfs/dbraw/zinc/94/25/21/949942521.db2.gz CBMJKEOWKOXAKB-CVEARBPZSA-N -1 0 347.455 3.682 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC000237650555 949969769 /nfs/dbraw/zinc/96/97/69/949969769.db2.gz JYJSYUAYINPFRL-SECBINFHSA-N -1 0 346.433 3.618 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1ccccc1NCc1ccccc1 ZINC000255190172 950027854 /nfs/dbraw/zinc/02/78/54/950027854.db2.gz VKOUYWLNVDFSNM-UHFFFAOYSA-N -1 0 340.423 3.674 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000262135586 950069884 /nfs/dbraw/zinc/06/98/84/950069884.db2.gz IZOMBAMYFUPMJW-CDXJDZJCSA-N -1 0 341.451 3.527 20 0 EHADRM COCCc1ccccc1NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000262223684 950090064 /nfs/dbraw/zinc/09/00/64/950090064.db2.gz MYUFUNCFZJMYIF-UHFFFAOYSA-N -1 0 342.395 3.537 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000263040421 950227591 /nfs/dbraw/zinc/22/75/91/950227591.db2.gz CFOXMNMGNMFXNK-DTWKUNHWSA-N -1 0 331.199 3.568 20 0 EHADRM CCN(C(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1)[C@H](C)C(=O)[O-] ZINC001589703660 950254411 /nfs/dbraw/zinc/25/44/11/950254411.db2.gz RSJBGQKXPWSJAL-LDYMZIIASA-N -1 0 336.285 3.586 20 0 EHADRM CCN(C(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1)[C@@H](C)C(=O)[O-] ZINC001589703654 950255077 /nfs/dbraw/zinc/25/50/77/950255077.db2.gz RSJBGQKXPWSJAL-GZMMTYOYSA-N -1 0 336.285 3.586 20 0 EHADRM CCN(C(=O)Cc1coc2c1ccc(Cl)c2Cl)[C@H](C)C(=O)[O-] ZINC001589703801 950258635 /nfs/dbraw/zinc/25/86/35/950258635.db2.gz PXKDDAUJCPKNRM-MRVPVSSYSA-N -1 0 344.194 3.604 20 0 EHADRM CCCn1ccc2cc(NC(=O)N3C[C@H](C)C[C@@H](C(=O)[O-])C3)ccc21 ZINC000263112410 950272051 /nfs/dbraw/zinc/27/20/51/950272051.db2.gz LDPHOHYJRASAIX-UKRRQHHQSA-N -1 0 343.427 3.626 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000263172501 950309719 /nfs/dbraw/zinc/30/97/19/950309719.db2.gz SEXKLCFXZVVOBD-ZJUUUORDSA-N -1 0 344.383 3.576 20 0 EHADRM O=C([O-])CCCCC(=O)NCc1ccc(COc2ccccc2)cc1 ZINC000263333660 950377500 /nfs/dbraw/zinc/37/75/00/950377500.db2.gz VOYFBHUUXXWCQV-UHFFFAOYSA-N -1 0 341.407 3.527 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)Cc2cccc(Cl)c2Cl)C1 ZINC000263411900 950445567 /nfs/dbraw/zinc/44/55/67/950445567.db2.gz JCXZAAALQPNIOX-LLVKDONJSA-N -1 0 344.238 3.639 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000263538041 950507906 /nfs/dbraw/zinc/50/79/06/950507906.db2.gz PLNYBLDJOIUDLA-KBPBESRZSA-N -1 0 337.847 3.622 20 0 EHADRM O=C([O-])CCCCC(=O)N(CCC(F)(F)F)Cc1ccccc1 ZINC000263569775 950513267 /nfs/dbraw/zinc/51/32/67/950513267.db2.gz HRSSQWQVGKAKAL-UHFFFAOYSA-N -1 0 331.334 3.613 20 0 EHADRM CCN(Cc1cccc(Cl)c1)C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001589736780 950547104 /nfs/dbraw/zinc/54/71/04/950547104.db2.gz NWOQZHWSGAYHEY-SREVYHEPSA-N -1 0 333.771 3.693 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000316836045 950893113 /nfs/dbraw/zinc/89/31/13/950893113.db2.gz KVWDGQLSUWTITK-LLVKDONJSA-N -1 0 341.860 3.534 20 0 EHADRM O=C([O-])c1ccccc1OCCSc1ccc2c(c1)OCCCO2 ZINC000324913510 951077739 /nfs/dbraw/zinc/07/77/39/951077739.db2.gz XYCXZTXPQCILTK-UHFFFAOYSA-N -1 0 346.404 3.717 20 0 EHADRM CC(C)(C)c1cc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)cc(Cl)n1 ZINC000326328110 951098061 /nfs/dbraw/zinc/09/80/61/951098061.db2.gz XDACYIYUPJOHCI-HNNXBMFYSA-N -1 0 346.814 3.588 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc3ccccc3c2)Cc2ccccc21 ZINC000326951587 951105740 /nfs/dbraw/zinc/10/57/40/951105740.db2.gz OMYZNUKZOJXSKF-LJQANCHMSA-N -1 0 331.371 3.664 20 0 EHADRM Cc1cc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000326983175 951107665 /nfs/dbraw/zinc/10/76/65/951107665.db2.gz VMBKUBSZMNUNEN-UHFFFAOYSA-N -1 0 343.339 3.564 20 0 EHADRM Cc1ccc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000327158922 951109566 /nfs/dbraw/zinc/10/95/66/951109566.db2.gz RHTFUIUWZDEWOE-UHFFFAOYSA-N -1 0 343.339 3.564 20 0 EHADRM Cc1cccc2cc(C(=O)N3Cc4ccccc4[C@H](C(=O)[O-])C3)oc21 ZINC000347368823 951132473 /nfs/dbraw/zinc/13/24/73/951132473.db2.gz NARGGZANZRPBJF-MRXNPFEDSA-N -1 0 335.359 3.565 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N3Cc4ccccc4[C@@H](C(=O)[O-])C3)cc2c1C ZINC000347343205 951132802 /nfs/dbraw/zinc/13/28/02/951132802.db2.gz IVZMNEPYEULTIN-KRWDZBQOSA-N -1 0 348.402 3.609 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000347513791 951133856 /nfs/dbraw/zinc/13/38/56/951133856.db2.gz HYNBGRKHNDMGJI-HUUCEWRRSA-N -1 0 335.469 3.661 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)c2ccccc2Cc2ccccc2)CC1 ZINC000364167695 951137847 /nfs/dbraw/zinc/13/78/47/951137847.db2.gz HGCOXKJHVSMYCA-UHFFFAOYSA-N -1 0 337.419 3.604 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000364201650 951139146 /nfs/dbraw/zinc/13/91/46/951139146.db2.gz OZCCXXJPOCMXDP-HNNXBMFYSA-N -1 0 347.455 3.599 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)c1ccc2c(c1)CCCCC2=O)C(=O)[O-] ZINC001602861405 971720381 /nfs/dbraw/zinc/72/03/81/971720381.db2.gz WCBOJGLLVQOQGY-MRXNPFEDSA-N -1 0 345.439 3.605 20 0 EHADRM CCOCOc1ccc(CNc2cccc(CCC(=O)[O-])c2)cc1 ZINC001591977426 951252190 /nfs/dbraw/zinc/25/21/90/951252190.db2.gz QYLKYXGPJRMRIR-UHFFFAOYSA-N -1 0 329.396 3.689 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2cc3ccccc3nc2Cl)C1 ZINC001595014760 951278297 /nfs/dbraw/zinc/27/82/97/951278297.db2.gz BXGODKBICXWYGB-GFCCVEGCSA-N -1 0 346.814 3.605 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)CCSc1ccccc1Cl ZINC000386822255 951304297 /nfs/dbraw/zinc/30/42/97/951304297.db2.gz RZIYRVHWKVEXCG-LBPRGKRZSA-N -1 0 341.860 3.678 20 0 EHADRM C[C@@H]1CN(Cc2ccc(Br)c(Cl)c2)CC[C@@H]1C(=O)[O-] ZINC000388376832 951330330 /nfs/dbraw/zinc/33/03/30/951330330.db2.gz MZBPTDATYZIFFJ-KOLCDFICSA-N -1 0 346.652 3.645 20 0 EHADRM CCOc1ccc(NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c(F)c1 ZINC001592691545 951350807 /nfs/dbraw/zinc/35/08/07/951350807.db2.gz LOONZARDNOEHDL-CQSZACIVSA-N -1 0 340.395 3.625 20 0 EHADRM O=C([O-])CCCCC(=O)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC001595034188 951382633 /nfs/dbraw/zinc/38/26/33/951382633.db2.gz BLWVLYQJYICIOD-INIZCTEOSA-N -1 0 327.783 3.691 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)C2)c1 ZINC001595063223 951523169 /nfs/dbraw/zinc/52/31/69/951523169.db2.gz OVNXIRFCJHPRIP-VXGBXAGGSA-N -1 0 329.318 3.621 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@@H]2C[C@]2(F)c2ccccc2)c1 ZINC001595063355 951523758 /nfs/dbraw/zinc/52/37/58/951523758.db2.gz RPSGGDJXNGINDB-LPHOPBHVSA-N -1 0 327.355 3.527 20 0 EHADRM Cc1sc(NC(=O)[C@H](C)OCc2ccccc2)c(C(=O)[O-])c1C ZINC000381843839 971782382 /nfs/dbraw/zinc/78/23/82/971782382.db2.gz RBFOUWIWVDOHQW-NSHDSACASA-N -1 0 333.409 3.607 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CCC[C@@H](C3CCCCC3)C2)ccn1 ZINC001595208517 952350000 /nfs/dbraw/zinc/35/00/00/952350000.db2.gz JKIXKPBQJPEENT-CQSZACIVSA-N -1 0 331.416 3.604 20 0 EHADRM CC(C)(C)Oc1c(F)cc(NC(=O)C2(CC(=O)[O-])CCC2)cc1F ZINC001602916556 971872847 /nfs/dbraw/zinc/87/28/47/971872847.db2.gz AWTKAHYDDFTEQY-UHFFFAOYSA-N -1 0 341.354 3.726 20 0 EHADRM CC(C)(CCNC(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1)C(=O)[O-] ZINC001602940573 971907904 /nfs/dbraw/zinc/90/79/04/971907904.db2.gz FHCGQLVNFRPRQI-DLBZAZTESA-N -1 0 346.471 3.588 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)NCC2(C3CCC3)CCC2)c2ccccc21 ZINC001594745544 953381969 /nfs/dbraw/zinc/38/19/69/953381969.db2.gz DKYBIIXBSCUVFO-IRXDYDNUSA-N -1 0 342.439 3.569 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)NCC2(C3CCC3)CCC2)c2ccccc21 ZINC001594745539 953382307 /nfs/dbraw/zinc/38/23/07/953382307.db2.gz DKYBIIXBSCUVFO-DLBZAZTESA-N -1 0 342.439 3.569 20 0 EHADRM O=C([O-])CCCCCNC(=O)N[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000414640034 953407215 /nfs/dbraw/zinc/40/72/15/953407215.db2.gz IYFBRQAJCIORJR-ZWKOTPCHSA-N -1 0 340.423 3.640 20 0 EHADRM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000417755989 953416917 /nfs/dbraw/zinc/41/69/17/953416917.db2.gz CPMLSFDLLFFBNJ-GJZGRUSLSA-N -1 0 347.459 3.558 20 0 EHADRM CC(C)(CCNC(=O)C1(c2c(Cl)cccc2Cl)CC1)C(=O)[O-] ZINC000424234652 953430983 /nfs/dbraw/zinc/43/09/83/953430983.db2.gz QZJBXTIYNJPQEV-UHFFFAOYSA-N -1 0 344.238 3.642 20 0 EHADRM CC(C)C[C@H](CNC(=O)CC(C)(C)CC(=O)c1ccccc1)C(=O)[O-] ZINC000424240648 953432467 /nfs/dbraw/zinc/43/24/67/953432467.db2.gz GEGAJRAYVKNLBG-MRXNPFEDSA-N -1 0 347.455 3.539 20 0 EHADRM C[C@H]1CCCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)[C@@H]1C(=O)[O-] ZINC000424246822 953434049 /nfs/dbraw/zinc/43/40/49/953434049.db2.gz HJUYHLNSWSPSHE-UFBFGSQYSA-N -1 0 349.736 3.684 20 0 EHADRM Cc1c(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])cccc1-c1ncco1 ZINC000424392561 953458104 /nfs/dbraw/zinc/45/81/04/953458104.db2.gz UHLVYTLJNVPVCL-ZDUSSCGKSA-N -1 0 345.399 3.518 20 0 EHADRM CC(C)(CCNC(=O)N1CCC(=Cc2ccccc2F)CC1)C(=O)[O-] ZINC000424402890 953467483 /nfs/dbraw/zinc/46/74/83/953467483.db2.gz IFKYTPFSYPFEBW-UHFFFAOYSA-N -1 0 348.418 3.515 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3)c2)C1 ZINC000431804284 953502767 /nfs/dbraw/zinc/50/27/67/953502767.db2.gz ICZXSJCANFBTGW-ZDUSSCGKSA-N -1 0 345.782 3.679 20 0 EHADRM CN(c1ccccc1)c1ccccc1C(=O)NCCC(C)(C)C(=O)[O-] ZINC000455866676 953518122 /nfs/dbraw/zinc/51/81/22/953518122.db2.gz AZRHCHNYVVJOKH-UHFFFAOYSA-N -1 0 340.423 3.685 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000516866951 953542894 /nfs/dbraw/zinc/54/28/94/953542894.db2.gz BTYKYTSKXNPGPA-GWCFXTLKSA-N -1 0 341.860 3.635 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)Nc1ccc(C2CC2)cc1F ZINC001594772061 953570323 /nfs/dbraw/zinc/57/03/23/953570323.db2.gz PDVXWZWKHSUXLI-UHFFFAOYSA-N -1 0 328.343 3.723 20 0 EHADRM Cc1[nH]c2c(cc(C)cc2CNC(=O)c2cccc(C(=O)[O-])c2)c1C ZINC000539568306 953574373 /nfs/dbraw/zinc/57/43/73/953574373.db2.gz RGGHWFQAWGEDFY-UHFFFAOYSA-N -1 0 336.391 3.721 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)c1ccc2ccc(Cl)cc2n1 ZINC001594776778 953589254 /nfs/dbraw/zinc/58/92/54/953589254.db2.gz VIEXCQXPHFCPHA-UHFFFAOYSA-N -1 0 340.766 3.516 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000576327771 953688034 /nfs/dbraw/zinc/68/80/34/953688034.db2.gz UMEJJBHLOJYLGH-KBPBESRZSA-N -1 0 344.411 3.699 20 0 EHADRM CCc1nc(C(C)C)ccc1COC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC001593649133 953698712 /nfs/dbraw/zinc/69/87/12/953698712.db2.gz UPLVQKBICJTGAO-LJQANCHMSA-N -1 0 331.412 3.622 20 0 EHADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(-c2ccc(Cl)cc2)cc1F ZINC001594794800 953705966 /nfs/dbraw/zinc/70/59/66/953705966.db2.gz WIWBCAUZOXFOAG-XBXGTLAGSA-N -1 0 347.773 3.739 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1ccc(F)cc1C(F)(F)F ZINC001589303434 953711910 /nfs/dbraw/zinc/71/19/10/953711910.db2.gz HFPRDQYAKKMLMH-RKDXNWHRSA-N -1 0 348.296 3.562 20 0 EHADRM CCCOc1ccc(NC(=O)C2(CC(=O)[O-])CCC2)cc1Cl ZINC000580777102 953715897 /nfs/dbraw/zinc/71/58/97/953715897.db2.gz JCSXUZAJEKBQCD-UHFFFAOYSA-N -1 0 325.792 3.712 20 0 EHADRM C[C@@H]1CCN(C(=O)CSc2ccc3ccccc3c2)C[C@H]1C(=O)[O-] ZINC000581548688 953719781 /nfs/dbraw/zinc/71/97/81/953719781.db2.gz ROODTEDCGRMGJH-CXAGYDPISA-N -1 0 343.448 3.501 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)N(C)Cc1ccccc1-c1ccccc1 ZINC001602961463 971953008 /nfs/dbraw/zinc/95/30/08/971953008.db2.gz ZAJRNOAPUXSVBC-GOSISDBHSA-N -1 0 325.408 3.669 20 0 EHADRM COCCCOc1cccc(CNc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000582109602 953721898 /nfs/dbraw/zinc/72/18/98/953721898.db2.gz NESYWMRPIRWGTO-UHFFFAOYSA-N -1 0 329.396 3.721 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(Br)c(C)c1 ZINC000619963832 953790544 /nfs/dbraw/zinc/79/05/44/953790544.db2.gz QILSQGHGOSWMIV-UHFFFAOYSA-N -1 0 328.206 3.587 20 0 EHADRM C[C@@H]1CN(C(=O)N[C@H](c2ccccc2)C(C)(C)C)CC[C@H]1C(=O)[O-] ZINC000626746316 953800370 /nfs/dbraw/zinc/80/03/70/953800370.db2.gz NQJIZTCMOJEJRJ-FVQBIDKESA-N -1 0 332.444 3.526 20 0 EHADRM CC/C=C\CNC(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000384824887 971959990 /nfs/dbraw/zinc/95/99/90/971959990.db2.gz FXDOZDRSTNNYEK-PLNGDYQASA-N -1 0 341.205 3.543 20 0 EHADRM CC[C@@H](NC(=O)N1CCC(C)(C(=O)[O-])CC1)c1cc(C)ccc1C ZINC000626778410 953820940 /nfs/dbraw/zinc/82/09/40/953820940.db2.gz KLSUDLQJWVDOPP-MRXNPFEDSA-N -1 0 332.444 3.651 20 0 EHADRM CC[C@H](CSc1ccccc1)NC(=O)Cc1ccccc1C(=O)[O-] ZINC000630298408 953851549 /nfs/dbraw/zinc/85/15/49/953851549.db2.gz VTSBVRFCFXUWCV-OAHLLOKOSA-N -1 0 343.448 3.614 20 0 EHADRM CCCN(C)c1ccccc1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000630571459 953867123 /nfs/dbraw/zinc/86/71/23/953867123.db2.gz WYIIUJUYGUIFNY-UHFFFAOYSA-N -1 0 347.459 3.642 20 0 EHADRM CN(C(=O)C1(CC(=O)[O-])CCC1)c1nc2c(cccc2Cl)s1 ZINC001593675033 953912314 /nfs/dbraw/zinc/91/23/14/953912314.db2.gz JFTXLUUHPPEXDD-UHFFFAOYSA-N -1 0 338.816 3.558 20 0 EHADRM O=C([O-])[C@@H](C(=O)NCc1ccc(-c2ccco2)cc1F)C1CCCC1 ZINC001594833954 954012283 /nfs/dbraw/zinc/01/22/83/954012283.db2.gz NCGHNZZZHCJQRT-QGZVFWFLSA-N -1 0 345.370 3.593 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1ncc(-c2ccccc2)s1)C1CCCC1 ZINC001594838614 954053743 /nfs/dbraw/zinc/05/37/43/954053743.db2.gz UMMYVOVKSZZRCQ-CQSZACIVSA-N -1 0 330.409 3.640 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001602975003 971985825 /nfs/dbraw/zinc/98/58/25/971985825.db2.gz PVMUCNRYUAPUGY-LJQANCHMSA-N -1 0 326.396 3.623 20 0 EHADRM O=C([O-])C1(C(=O)N2CC[C@H](Cc3ccccc3)C2)CCCCCC1 ZINC001594845759 954143468 /nfs/dbraw/zinc/14/34/68/954143468.db2.gz ACGAKDSGQKVKIQ-QGZVFWFLSA-N -1 0 329.440 3.503 20 0 EHADRM C[C@@H](CCNC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655867163 954253157 /nfs/dbraw/zinc/25/31/57/954253157.db2.gz VIKXRPKHGGSZBD-NXNVCVFFSA-N -1 0 346.471 3.615 20 0 EHADRM CC(C)[C@@H](CNC(=O)N1CCC[C@@H]1c1ccccc1Cl)C(=O)[O-] ZINC000655890612 954270843 /nfs/dbraw/zinc/27/08/43/954270843.db2.gz NKHWOZNHKYMQDC-UKRRQHHQSA-N -1 0 338.835 3.543 20 0 EHADRM CC[C@H](C)[C@H]1CCCCN1C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655905640 954288223 /nfs/dbraw/zinc/28/82/23/954288223.db2.gz YWCZRDDMJZNAHX-RFBLXINOSA-N -1 0 338.492 3.732 20 0 EHADRM C[C@@H](CN(C)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655907526 954290242 /nfs/dbraw/zinc/29/02/42/954290242.db2.gz QJUUMJKBYOJEOF-HDEZJCGLSA-N -1 0 346.471 3.567 20 0 EHADRM Cc1c(NCC(C)(C)C)cccc1C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000656231349 954299762 /nfs/dbraw/zinc/29/97/62/954299762.db2.gz IABCRDUFWCEPLD-HNNXBMFYSA-N -1 0 334.460 3.540 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cccc(COC(C)(C)C)c2)CC[C@@H]1C(=O)[O-] ZINC001589387097 954310834 /nfs/dbraw/zinc/31/08/34/954310834.db2.gz KFIRLLSRRCHQKH-BBRMVZONSA-N -1 0 348.443 3.576 20 0 EHADRM CC(C)[C@H](CNC(=O)c1coc(/C=C/C(=O)[O-])c1)c1ccccc1 ZINC001602983133 972003524 /nfs/dbraw/zinc/00/35/24/972003524.db2.gz HYGKGDJGOGJLPV-IJDCCNJMSA-N -1 0 327.380 3.547 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C[C@H]1c1ccccc1 ZINC000659150129 954311757 /nfs/dbraw/zinc/31/17/57/954311757.db2.gz USCFXLLLZDZLDI-ZWJWXYIHSA-N -1 0 341.451 3.530 20 0 EHADRM C[C@@H]1N(C(=O)NC2CCC(C(=O)[O-])CC2)c2ccccc2C1(C)C ZINC000659407023 954331815 /nfs/dbraw/zinc/33/18/15/954331815.db2.gz WLRRWPPMFJZVPQ-HSBZDZAISA-N -1 0 330.428 3.526 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ncc(-c3ccc(Cl)cc3)s2)CCC1 ZINC001594871608 954360268 /nfs/dbraw/zinc/36/02/68/954360268.db2.gz BWEMBVNXTOGSRQ-UHFFFAOYSA-N -1 0 336.800 3.657 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC000659784021 954374555 /nfs/dbraw/zinc/37/45/55/954374555.db2.gz XEZGITJRNXAURZ-BMIGLBTASA-N -1 0 349.839 3.596 20 0 EHADRM O=C([O-])[C@]1(C(=O)Oc2ccc(Oc3nccs3)cc2)CC=CCC1 ZINC001594879115 954402952 /nfs/dbraw/zinc/40/29/52/954402952.db2.gz RKQSMEKOJANUSA-KRWDZBQOSA-N -1 0 345.376 3.652 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccc(-c2ncco2)cc1)CC(=O)[O-] ZINC000663352261 954540309 /nfs/dbraw/zinc/54/03/09/954540309.db2.gz SHXMOMRVFIMKLJ-ZDUSSCGKSA-N -1 0 345.399 3.600 20 0 EHADRM CC1CCC(N(C(=O)NCc2cccc(C(=O)[O-])c2)C2CC2)CC1 ZINC000666567768 954563733 /nfs/dbraw/zinc/56/37/33/954563733.db2.gz SXOXTZHSMCTFKF-UHFFFAOYSA-N -1 0 330.428 3.638 20 0 EHADRM CN(C(=O)Cc1ccccc1C(=O)[O-])[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000668324285 954567888 /nfs/dbraw/zinc/56/78/88/954567888.db2.gz QCXOECNYXWSBOP-BETUJISGSA-N -1 0 343.345 3.507 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000683322347 954605169 /nfs/dbraw/zinc/60/51/69/954605169.db2.gz NAOWIYVRYBPLDH-CYBMUJFWSA-N -1 0 337.847 3.622 20 0 EHADRM CC(C)[C@H]1N(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CC12CCCCCC2 ZINC001603002650 972048249 /nfs/dbraw/zinc/04/82/49/972048249.db2.gz CMBJFAGTTMVIDE-OWCLPIDISA-N -1 0 336.476 3.630 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)N1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC001589463439 954873775 /nfs/dbraw/zinc/87/37/75/954873775.db2.gz AQDUJSVYZSUGDH-IUCCWQJSSA-N -1 0 345.439 3.589 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)N1CCC[C@@](CC)(C(=O)[O-])C1 ZINC001589464313 954886816 /nfs/dbraw/zinc/88/68/16/954886816.db2.gz FWXAPFFATWDGAS-FOIQADDNSA-N -1 0 347.455 3.682 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)co1 ZINC001594968227 955078069 /nfs/dbraw/zinc/07/80/69/955078069.db2.gz LJNAITGQXGASQQ-WCOVMKCQSA-N -1 0 345.782 3.707 20 0 EHADRM CC(C)C[C@H](CNC(=O)N[C@@H](c1ccccc1)C1CCC1)C(=O)[O-] ZINC001603012510 972067441 /nfs/dbraw/zinc/06/74/41/972067441.db2.gz SKDUTLFJVHZTGG-SJORKVTESA-N -1 0 332.444 3.574 20 0 EHADRM CC[C@H](CNC(=O)NCc1cccc(-c2ccc(C)cc2)c1)C(=O)[O-] ZINC001589539408 955190869 /nfs/dbraw/zinc/19/08/69/955190869.db2.gz SSOZTWHZEUJWFO-MRXNPFEDSA-N -1 0 340.423 3.572 20 0 EHADRM CC(C)CN(Cc1ccc(F)c(Cl)c1)C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001603025449 972085050 /nfs/dbraw/zinc/08/50/50/972085050.db2.gz FPTBDCWIIXGBGA-QWHCGFSZSA-N -1 0 341.810 3.575 20 0 EHADRM Cc1onc(-c2cccc(Cl)c2)c1-c1nc([C@H](C)C(=O)[O-])no1 ZINC001594510473 955385719 /nfs/dbraw/zinc/38/57/19/955385719.db2.gz YVPJDNQGTTWLHM-ZETCQYMHSA-N -1 0 333.731 3.542 20 0 EHADRM CC(C)COc1ccccc1CNC(=O)Nc1ccccc1C(=O)[O-] ZINC001603032231 972092967 /nfs/dbraw/zinc/09/29/67/972092967.db2.gz AXERRQOVTXURJY-UHFFFAOYSA-N -1 0 342.395 3.741 20 0 EHADRM Cn1cc(-c2csc(NC(=O)[C@H]3CCC(C)(C)C3)c2C(=O)[O-])cn1 ZINC001594522788 955465460 /nfs/dbraw/zinc/46/54/60/955465460.db2.gz AYSSDCTVFIJLIL-JTQLQIEISA-N -1 0 347.440 3.612 20 0 EHADRM CCCCN(CCOc1ccc(/C=C\C(=O)[O-])cc1)CC(F)(F)F ZINC000387036683 972098798 /nfs/dbraw/zinc/09/87/98/972098798.db2.gz PWBVCUPDAMXVHT-TWGQIWQCSA-N -1 0 345.361 3.828 20 0 EHADRM O=C([O-])c1cccc(NC(=O)CCSc2ccc(Cl)cc2)n1 ZINC000387144859 972107183 /nfs/dbraw/zinc/10/71/83/972107183.db2.gz QDWBUVKFVNKXDC-UHFFFAOYSA-N -1 0 336.800 3.554 20 0 EHADRM CC(C)(Cc1ccc(Cl)cc1Cl)NC(=O)CCCC(=O)[O-] ZINC000844243597 955655784 /nfs/dbraw/zinc/65/57/84/955655784.db2.gz DKCBGSXOPARAKK-UHFFFAOYSA-N -1 0 332.227 3.686 20 0 EHADRM Cc1nc2cccc(Cl)c2cc1C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000868434726 956011608 /nfs/dbraw/zinc/01/16/08/956011608.db2.gz IXZAIPGESXKHOR-LBPRGKRZSA-N -1 0 346.814 3.524 20 0 EHADRM C[C@@H](NC(=O)NCCC1=CCCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589106094 956029730 /nfs/dbraw/zinc/02/97/30/956029730.db2.gz LVDCJYAGMLLHIA-VNQPRFMTSA-N -1 0 336.476 3.702 20 0 EHADRM CC[C@H](Cc1ccccc1)N(C)C(=O)NCc1ccccc1C(=O)[O-] ZINC000874410119 956184083 /nfs/dbraw/zinc/18/40/83/956184083.db2.gz KFNPZIZUYNRJRF-QGZVFWFLSA-N -1 0 340.423 3.548 20 0 EHADRM C[C@H](NC(=O)CCCC(=O)[O-])c1cccc(SC(F)(F)F)c1 ZINC000887322209 956251603 /nfs/dbraw/zinc/25/16/03/956251603.db2.gz JHBJEOCVBJYRFS-VIFPVBQESA-N -1 0 335.347 3.731 20 0 EHADRM CC(C)c1ccc(C[C@H]2CCN(C(=O)[C@H](C(=O)[O-])C(C)C)C2)cc1 ZINC001603100471 972176182 /nfs/dbraw/zinc/17/61/82/972176182.db2.gz KOBQIWXYRJPGIS-SJLPKXTDSA-N -1 0 331.456 3.558 20 0 EHADRM CC(C)c1ccc(C[C@@H]2CCN(C(=O)[C@H](C(=O)[O-])C(C)C)C2)cc1 ZINC001603100470 972176329 /nfs/dbraw/zinc/17/63/29/972176329.db2.gz KOBQIWXYRJPGIS-FUHWJXTLSA-N -1 0 331.456 3.558 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cccc(C(F)F)c1F ZINC000901576671 956349638 /nfs/dbraw/zinc/34/96/38/956349638.db2.gz FSXMWBHIULNVAL-SNVBAGLBSA-N -1 0 329.318 3.623 20 0 EHADRM Cc1cc(C(=O)[O-])c(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)s1 ZINC000388592812 972180548 /nfs/dbraw/zinc/18/05/48/972180548.db2.gz ILUWBTILGYDDQQ-UHFFFAOYSA-N -1 0 340.744 3.569 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCc1ccc(F)c2ccccc12 ZINC000901655008 956406082 /nfs/dbraw/zinc/40/60/82/956406082.db2.gz JUOIXTUXPYLBQP-HIFRSBDPSA-N -1 0 343.398 3.623 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)C(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1 ZINC001589167783 956436309 /nfs/dbraw/zinc/43/63/09/956436309.db2.gz ZBEOHMZGAWEBIX-LBPRGKRZSA-N -1 0 343.379 3.620 20 0 EHADRM C[C@H](SCC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1)C(=O)[O-] ZINC001589169593 956460985 /nfs/dbraw/zinc/46/09/85/956460985.db2.gz JQROKRBGWFRPPZ-FZMZJTMJSA-N -1 0 341.448 3.626 20 0 EHADRM CC(C)Oc1ccccc1[C@@H](C)NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC000901834808 956496234 /nfs/dbraw/zinc/49/62/34/956496234.db2.gz YLXTZUCAZHUZRC-MMQHEFTJSA-N -1 0 343.379 3.656 20 0 EHADRM CCCN(C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1)[C@@H](CC)c1ccccc1 ZINC000901858542 956505670 /nfs/dbraw/zinc/50/56/70/956505670.db2.gz ITLVPYBXXJUBPX-KSZLIROESA-N -1 0 347.455 3.646 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001589176434 956507158 /nfs/dbraw/zinc/50/71/58/956507158.db2.gz YUFOMOPDRMKAEW-SNVBAGLBSA-N -1 0 333.775 3.658 20 0 EHADRM O=C(/C=C\C1CCCCC1)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001594667334 956589782 /nfs/dbraw/zinc/58/97/82/956589782.db2.gz GWCBLYRJBSXNQH-SREVYHEPSA-N -1 0 335.425 3.594 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)NC2(Cc3ccccc3)CCCC2)o1 ZINC001594671182 956618393 /nfs/dbraw/zinc/61/83/93/956618393.db2.gz XJNMDNJFCCMSBR-PKNBQFBNSA-N -1 0 339.391 3.663 20 0 EHADRM O=C([O-])C1(NC(=O)/C=C/c2ccc(F)c3ccccc23)CCCC1 ZINC001594675426 956655919 /nfs/dbraw/zinc/65/59/19/956655919.db2.gz XYTCRTDBUBEGAN-CSKARUKUSA-N -1 0 327.355 3.506 20 0 EHADRM O=C([O-])c1cc(NC(=O)/C=C/c2csc(C(F)(F)F)c2)ccn1 ZINC001594676034 956665456 /nfs/dbraw/zinc/66/54/56/956665456.db2.gz SZNWPJMAEKDZCE-OWOJBTEDSA-N -1 0 342.298 3.512 20 0 EHADRM C[C@](CNC(=O)NC[C@@H]1CCCC(C)(C)C1)(C(=O)[O-])c1ccccc1 ZINC001589224547 956784900 /nfs/dbraw/zinc/78/49/00/956784900.db2.gz MVHZMLQEHVYPGM-FOIQADDNSA-N -1 0 346.471 3.545 20 0 EHADRM CC1(C)CCc2c(sc(NC(=O)[C@H]3CCSC3)c2C(=O)[O-])C1 ZINC001589226640 956804593 /nfs/dbraw/zinc/80/45/93/956804593.db2.gz FMYBOSNSTHDDTM-VIFPVBQESA-N -1 0 339.482 3.653 20 0 EHADRM O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)c2cc(F)ccc2F)C1 ZINC000902827934 956819239 /nfs/dbraw/zinc/81/92/39/956819239.db2.gz RZZMGTDSKOCROX-GFCCVEGCSA-N -1 0 345.345 3.649 20 0 EHADRM O=C([O-])C1(NC(=O)C[C@@H]2C[C@H]2Cc2ccccc2)CCCCCC1 ZINC001594703976 956830591 /nfs/dbraw/zinc/83/05/91/956830591.db2.gz RLMDDURDLYJTII-SJORKVTESA-N -1 0 329.440 3.549 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC001603127615 972220442 /nfs/dbraw/zinc/22/04/42/972220442.db2.gz OUHNQECSJMQCDO-SECBINFHSA-N -1 0 341.285 3.558 20 0 EHADRM COCCC[C@@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001593993261 956857298 /nfs/dbraw/zinc/85/72/98/956857298.db2.gz SSICQHVJLLLAQO-WDEREUQCSA-N -1 0 339.457 3.572 20 0 EHADRM O=C([O-])c1ccccc1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000000104526 956860396 /nfs/dbraw/zinc/86/03/96/956860396.db2.gz KKFXZHYIWRTPQT-UHFFFAOYSA-N -1 0 325.242 3.536 20 0 EHADRM Cc1cc(NCc2ccc(C(=O)[O-])s2)ccc1C(=O)NC(C)C ZINC000903682525 956861260 /nfs/dbraw/zinc/86/12/60/956861260.db2.gz WBPHUZRQURWONX-UHFFFAOYSA-N -1 0 332.425 3.505 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)Nc1ncccc1-c1ccccc1 ZINC001594710481 956879201 /nfs/dbraw/zinc/87/92/01/956879201.db2.gz WNERWBCXWUHCOT-UHFFFAOYSA-N -1 0 332.359 3.628 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)CSc1nc2ccccc2o1 ZINC000008391561 956886522 /nfs/dbraw/zinc/88/65/22/956886522.db2.gz XJRROWSIGDSFAA-UHFFFAOYSA-N -1 0 342.376 3.565 20 0 EHADRM CCc1sc(C(=O)N2CCCc3c(C(=O)[O-])cccc32)cc1C ZINC000012794321 956905267 /nfs/dbraw/zinc/90/52/67/956905267.db2.gz IVXMNUXIDDNZCU-UHFFFAOYSA-N -1 0 329.421 3.910 20 0 EHADRM O=C([O-])c1ccc(OCc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000013054837 956918952 /nfs/dbraw/zinc/91/89/52/956918952.db2.gz QMEYYLQKBUUUBL-UHFFFAOYSA-N -1 0 341.241 3.891 20 0 EHADRM Cc1ccc(C)c(NC(=O)COc2cc(Cl)ccc2C(=O)[O-])c1 ZINC000013085292 956935215 /nfs/dbraw/zinc/93/52/15/956935215.db2.gz JJIAAHIAFVRYGF-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM O=C([O-])c1ccc2ccccc2c1OCC(=O)N1CCc2ccccc21 ZINC000013086046 956939055 /nfs/dbraw/zinc/93/90/55/956939055.db2.gz SUNLCIGWJCTHCS-UHFFFAOYSA-N -1 0 347.370 3.506 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)c2ccccc2OC(F)F)c1 ZINC000013167871 956948626 /nfs/dbraw/zinc/94/86/26/956948626.db2.gz SDSOXGKICJRWNV-UHFFFAOYSA-N -1 0 341.697 3.892 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(COC(C)C)cc1 ZINC000013170196 956955072 /nfs/dbraw/zinc/95/50/72/956955072.db2.gz AGUMUUOLTKCYET-UHFFFAOYSA-N -1 0 327.380 3.871 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccccc2OC(F)F)cc1 ZINC000013180212 956963582 /nfs/dbraw/zinc/96/35/82/956963582.db2.gz LQYDXYAJNYYWJH-CQSZACIVSA-N -1 0 349.333 3.542 20 0 EHADRM CC[C@@H](CNC(=O)Nc1ccc(N2CCCCCC2)cc1C)C(=O)[O-] ZINC000905056028 956963761 /nfs/dbraw/zinc/96/37/61/956963761.db2.gz NRISQVNLDKMCMQ-HNNXBMFYSA-N -1 0 347.459 3.608 20 0 EHADRM C[C@@H](CC1CCCC1)C(=O)Nc1sc2c(c1C(=O)[O-])COCC2 ZINC001603136586 972230313 /nfs/dbraw/zinc/23/03/13/972230313.db2.gz XVAGNKKPULBSCL-JTQLQIEISA-N -1 0 337.441 3.674 20 0 EHADRM Cc1ccc(SCC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c(C)c1 ZINC000013225648 956984317 /nfs/dbraw/zinc/98/43/17/956984317.db2.gz KANJPTNPUHYUDR-JYJNAYRXSA-N -1 0 347.480 3.640 20 0 EHADRM Cc1cccc(S(=O)(=O)Oc2cc3ccccc3cc2C(=O)[O-])c1 ZINC000013342049 957027754 /nfs/dbraw/zinc/02/77/54/957027754.db2.gz RBTUCLKOXRCNKS-UHFFFAOYSA-N -1 0 342.372 3.614 20 0 EHADRM O=C([O-])C1CCC(NC(=O)c2cc(-c3ccc(Cl)cc3)c[nH]2)CC1 ZINC001594729968 957031812 /nfs/dbraw/zinc/03/18/12/957031812.db2.gz ISANALNMRWUNES-UHFFFAOYSA-N -1 0 346.814 3.708 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)N[C@H](CC(=O)[O-])c3cccs3)cc2C1 ZINC000013388404 957039923 /nfs/dbraw/zinc/03/99/23/957039923.db2.gz ZAUAFMSZOSNMFC-ZYHUDNBSSA-N -1 0 349.477 3.880 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc2ccccc2c1)c1cccs1 ZINC000013388977 957041505 /nfs/dbraw/zinc/04/15/05/957041505.db2.gz MRNQRYOUVZDDAH-OAHLLOKOSA-N -1 0 325.389 3.847 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2cn(C)nc2C2CCCCC2)c1 ZINC000910662110 957049877 /nfs/dbraw/zinc/04/98/77/957049877.db2.gz GPAFEPXKMKACPD-UHFFFAOYSA-N -1 0 341.411 3.727 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)[C@H]1COc2ccccc2C1 ZINC000013426636 957066688 /nfs/dbraw/zinc/06/66/88/957066688.db2.gz OCRHALVBGUWQAF-MRXNPFEDSA-N -1 0 347.370 3.728 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)Nc2scc(-c3ccsc3)c2C(=O)[O-])CO1 ZINC001589265687 957077549 /nfs/dbraw/zinc/07/75/49/957077549.db2.gz JMYJGTIUSQYZLU-PSASIEDQSA-N -1 0 337.422 3.538 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)CSc1ccc(F)c(F)c1 ZINC000389688392 972240857 /nfs/dbraw/zinc/24/08/57/972240857.db2.gz ATKHDORKAYDDBU-UHFFFAOYSA-N -1 0 343.376 3.764 20 0 EHADRM Cc1ccc2c(c1)S[C@@H](C(=O)Nc1cccc(CCC(=O)[O-])c1)C2 ZINC001118170989 957159677 /nfs/dbraw/zinc/15/96/77/957159677.db2.gz WSIUFZANYRWJKU-QGZVFWFLSA-N -1 0 341.432 3.668 20 0 EHADRM O=C([O-])c1cnc(NC(=O)c2ccc(Oc3ccccc3)cc2)s1 ZINC000028336092 957165782 /nfs/dbraw/zinc/16/57/82/957165782.db2.gz SFTKMQJXDJTOSO-UHFFFAOYSA-N -1 0 340.360 3.886 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)Nc2ccc(SC(F)(F)F)cc2)C1 ZINC001118979173 957179044 /nfs/dbraw/zinc/17/90/44/957179044.db2.gz IHOFTESZFMWKPY-VIFPVBQESA-N -1 0 348.346 3.627 20 0 EHADRM O=C([O-])c1csc(CSc2nc3cc(Cl)ccc3o2)n1 ZINC000035343353 957204714 /nfs/dbraw/zinc/20/47/14/957204714.db2.gz XBKIGMVIGMKWDL-UHFFFAOYSA-N -1 0 326.786 3.928 20 0 EHADRM Cc1cc(NC(=O)CSCc2cccs2)sc1C(=O)[O-] ZINC000036975661 957252968 /nfs/dbraw/zinc/25/29/68/957252968.db2.gz BGDMPBQIGIXYDE-UHFFFAOYSA-N -1 0 327.452 3.688 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cnc(Cl)c(Cl)c2)ccc1Cl ZINC000037403926 957276155 /nfs/dbraw/zinc/27/61/55/957276155.db2.gz CSBVOHWXHBAKST-UHFFFAOYSA-N -1 0 345.569 3.992 20 0 EHADRM C[C@H](SCC(=O)Nc1cc(Cl)c(Cl)cc1Cl)C(=O)[O-] ZINC000037405604 957278213 /nfs/dbraw/zinc/27/82/13/957278213.db2.gz BDKSKAKCIKPWMB-YFKPBYRVSA-N -1 0 342.631 3.792 20 0 EHADRM CC(C)[C@H](CNC(=O)N[C@@H](C)c1csc2ccccc21)C(=O)[O-] ZINC001263066732 957288099 /nfs/dbraw/zinc/28/80/99/957288099.db2.gz SRTZMLPDCOGSCL-AAEUAGOBSA-N -1 0 334.441 3.618 20 0 EHADRM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1sccc1C(=O)[O-] ZINC000037450487 957293098 /nfs/dbraw/zinc/29/30/98/957293098.db2.gz OHZJDYAACOKGLP-QMMMGPOBSA-N -1 0 325.773 3.506 20 0 EHADRM Cc1ccc(C(=O)Nc2cc(Br)ccc2C(=O)[O-])cc1 ZINC000037742268 957324972 /nfs/dbraw/zinc/32/49/72/957324972.db2.gz KONOIIRVZIIWBL-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM CC(C)CCC(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC000054231672 957523712 /nfs/dbraw/zinc/52/37/12/957523712.db2.gz LURCXGICBPWBDX-UHFFFAOYSA-N -1 0 332.425 3.812 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N[C@H]2CCCc3ccc(F)cc32)c1 ZINC001574739487 957687395 /nfs/dbraw/zinc/68/73/95/957687395.db2.gz ZWWATILDSDFPSX-KRWDZBQOSA-N -1 0 342.370 3.652 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)NCc2ccc(Cl)s2)c1 ZINC000071319780 957716729 /nfs/dbraw/zinc/71/67/29/957716729.db2.gz FWZOKFFZOCKRRB-UHFFFAOYSA-N -1 0 328.752 3.561 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2C[C@@H](C)Cc3cccc(F)c32)c1 ZINC001594281870 957753992 /nfs/dbraw/zinc/75/39/92/957753992.db2.gz FVZZCAUFUJWPHF-LBPRGKRZSA-N -1 0 327.355 3.671 20 0 EHADRM O=C([O-])c1ccc(F)c(CSc2ccc(Br)cn2)c1 ZINC000079450895 957756356 /nfs/dbraw/zinc/75/63/56/957756356.db2.gz BIBYGBCXKSJIBL-UHFFFAOYSA-N -1 0 342.189 3.974 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@@H](C(F)F)C2CCCCC2)c1 ZINC001594286403 957782537 /nfs/dbraw/zinc/78/25/37/957782537.db2.gz NMSCTAGDOMECIP-CQSZACIVSA-N -1 0 325.355 3.637 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Oc2ccc(Br)cc2)c1 ZINC001594289539 957816963 /nfs/dbraw/zinc/81/69/63/957816963.db2.gz VDZDOSCAKNEXRX-UHFFFAOYSA-N -1 0 335.153 3.675 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCc3c2cccc3-c2ccccc2)nc1 ZINC001574796619 957824021 /nfs/dbraw/zinc/82/40/21/957824021.db2.gz SBOVSYYGWMDKBK-UHFFFAOYSA-N -1 0 344.370 3.650 20 0 EHADRM Cc1cc(C(F)(F)F)ccc1CNC(=O)C1(C(=O)[O-])CCCCC1 ZINC001594290268 957825438 /nfs/dbraw/zinc/82/54/38/957825438.db2.gz UBYSJHNDKHCWQP-UHFFFAOYSA-N -1 0 343.345 3.665 20 0 EHADRM Cc1cc([C@H](NC(=O)c2coc(/C=C/C(=O)[O-])c2)C2CC2)ccc1F ZINC001594293756 957845107 /nfs/dbraw/zinc/84/51/07/957845107.db2.gz NEWOLRSTDMHEPT-SUQGKYDKSA-N -1 0 343.354 3.706 20 0 EHADRM Cc1cc(C)c2c(c1)CCCN2C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001594294331 957859116 /nfs/dbraw/zinc/85/91/16/957859116.db2.gz GQLKUJIYTPJSNP-VURMDHGXSA-N -1 0 325.364 3.587 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)C1(Cc2ccccc2Cl)CC1 ZINC001574811102 957879759 /nfs/dbraw/zinc/87/97/59/957879759.db2.gz ZHBGNZWMFKVDBO-UHFFFAOYSA-N -1 0 343.810 3.677 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)N(Cc1ccccc1F)C1CCC1 ZINC001574821814 957915673 /nfs/dbraw/zinc/91/56/73/957915673.db2.gz GWNPUZSVJJBNQL-UHFFFAOYSA-N -1 0 343.358 3.506 20 0 EHADRM Cc1cc(Cl)cc(NC(=O)C2(C(=O)[O-])CCC2)c1Br ZINC001594307935 957985914 /nfs/dbraw/zinc/98/59/14/957985914.db2.gz DWEDKYNXUUVZTC-UHFFFAOYSA-N -1 0 346.608 3.604 20 0 EHADRM C[C@H](NC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)C1CCC(F)CC1 ZINC001341432860 957993737 /nfs/dbraw/zinc/99/37/37/957993737.db2.gz MJNIFDFZBSVETG-WFIGLCBISA-N -1 0 348.418 3.516 20 0 EHADRM CC(C)(CNC(=O)Nc1cccc(CCC(=O)[O-])c1)C(C)(F)F ZINC001603207994 972320527 /nfs/dbraw/zinc/32/05/27/972320527.db2.gz LSDWMZUCHXTRRC-UHFFFAOYSA-N -1 0 328.359 3.507 20 0 EHADRM CSCc1ccc(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)cc1 ZINC000391194649 972322737 /nfs/dbraw/zinc/32/27/37/972322737.db2.gz UYBWQEKWYVRLJJ-UHFFFAOYSA-N -1 0 337.347 3.778 20 0 EHADRM Cc1cc(OC(=O)c2cccc(OCC(=O)[O-])c2)cc(C)c1Cl ZINC001594326544 958178564 /nfs/dbraw/zinc/17/85/64/958178564.db2.gz FWZSXJRUEUPWHS-UHFFFAOYSA-N -1 0 334.755 3.639 20 0 EHADRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)C1CCC(C(F)(F)F)CC1 ZINC000391257793 972326507 /nfs/dbraw/zinc/32/65/07/972326507.db2.gz SNZRDHCEQNHISG-TUUUFIMRSA-N -1 0 335.366 3.505 20 0 EHADRM COc1ccc(C(=O)Nc2ccnc(C(=O)[O-])c2)cc1-c1ccccc1 ZINC001594080051 958251062 /nfs/dbraw/zinc/25/10/62/958251062.db2.gz JNOWCMSKUCBGHP-UHFFFAOYSA-N -1 0 348.358 3.708 20 0 EHADRM Cc1ccc(-c2nnc(SCCC3(C(=O)[O-])CCC3)n2C)cc1 ZINC001594338164 958283822 /nfs/dbraw/zinc/28/38/22/958283822.db2.gz XVHCULQIIJIPEB-UHFFFAOYSA-N -1 0 331.441 3.528 20 0 EHADRM Cc1ccc(/C=C\C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)cn1 ZINC001594353950 958393717 /nfs/dbraw/zinc/39/37/17/958393717.db2.gz XINTYBIFLPPGJH-DAXSKMNVSA-N -1 0 334.734 3.533 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2cc(C(=O)[O-])ccn2)o1 ZINC001594354042 958396296 /nfs/dbraw/zinc/39/62/96/958396296.db2.gz KTUJOHSZLXIBSB-RISCZKNCSA-N -1 0 343.383 3.686 20 0 EHADRM COc1ccc(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)c2ccccc12 ZINC001594106408 958469774 /nfs/dbraw/zinc/46/97/74/958469774.db2.gz TWTBSZDCRDVAPR-ZDUSSCGKSA-N -1 0 342.395 3.567 20 0 EHADRM Cc1cc(Oc2nc(Cl)c(C(=O)[O-])s2)c(F)cc1[N+](=O)[O-] ZINC000123518187 958502248 /nfs/dbraw/zinc/50/22/48/958502248.db2.gz IWENWXGRXSLLSU-UHFFFAOYSA-N -1 0 332.696 3.643 20 0 EHADRM Cc1oc(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000391646659 972353178 /nfs/dbraw/zinc/35/31/78/972353178.db2.gz IKZVPZHDQJCMFJ-UHFFFAOYSA-N -1 0 344.245 3.825 20 0 EHADRM COc1ccc2c(c1)[C@@H](C(=O)Nc1sccc1C(=O)[O-])CCC2 ZINC001594114329 958545526 /nfs/dbraw/zinc/54/55/26/958545526.db2.gz ZLLOLZZZUUZUKD-LBPRGKRZSA-N -1 0 331.393 3.514 20 0 EHADRM C=COc1ccc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC001588474685 958558366 /nfs/dbraw/zinc/55/83/66/958558366.db2.gz NADQLRNDIJKIHE-SJORKVTESA-N -1 0 338.363 3.644 20 0 EHADRM C/C(=C\c1c(Cl)cccc1Cl)C(=O)N(CC(=O)[O-])CC1CC1 ZINC001588482128 958599725 /nfs/dbraw/zinc/59/97/25/958599725.db2.gz TYORKWNYKOEVHB-JXMROGBWSA-N -1 0 342.222 3.720 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC001594123397 958610702 /nfs/dbraw/zinc/61/07/02/958610702.db2.gz JMRSMUNKADDNSV-VYDXJSESSA-N -1 0 347.455 3.681 20 0 EHADRM O=C([O-])c1ccc(OCCSC(F)(F)F)c(Br)c1 ZINC000127663616 958620408 /nfs/dbraw/zinc/62/04/08/958620408.db2.gz YEBNINPWYOIDQA-UHFFFAOYSA-N -1 0 345.136 3.779 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N[C@@H](C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)cc2c1C ZINC001594381262 958624241 /nfs/dbraw/zinc/62/42/41/958624241.db2.gz FRNVLMIHVNOAQA-AEGPPILISA-N -1 0 342.439 3.650 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)[C@H](C)C2 ZINC001594381861 958636134 /nfs/dbraw/zinc/63/61/34/958636134.db2.gz HSLPYPNVYKRXOD-VCBZYWHSSA-N -1 0 344.455 3.515 20 0 EHADRM C/C(=C/c1ccccc1)CN(C)C(=O)C1(C(=O)[O-])C(C)(C)C1(C)C ZINC001588488467 958636408 /nfs/dbraw/zinc/63/64/08/958636408.db2.gz OKQWXBNRKNTMKZ-OWBHPGMISA-N -1 0 329.440 3.685 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)Nc1cccc(Oc2ccnc3ccccc32)c1 ZINC001573372500 958639374 /nfs/dbraw/zinc/63/93/74/958639374.db2.gz UMTQHYXZMCBAAX-LBPRGKRZSA-N -1 0 336.347 3.686 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@H]1SCCc2ccccc21 ZINC001594387941 958692316 /nfs/dbraw/zinc/69/23/16/958692316.db2.gz MWGQLUKXEKSYOT-INIZCTEOSA-N -1 0 327.405 3.662 20 0 EHADRM Cc1cccc([C@@H](C)CNC(=O)N2CCCC[C@H]2CCC(=O)[O-])c1 ZINC001594390446 958708170 /nfs/dbraw/zinc/70/81/70/958708170.db2.gz QXBXTFLHHNFCHL-RDJZCZTQSA-N -1 0 332.444 3.527 20 0 EHADRM O=C([O-])[C@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)c1cccs1 ZINC000129560278 958710544 /nfs/dbraw/zinc/71/05/44/958710544.db2.gz LTDVCJVYFRBXAI-CYBMUJFWSA-N -1 0 344.219 3.540 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc(F)c(Cl)cc1Cl)c1cccs1 ZINC000129662204 958716026 /nfs/dbraw/zinc/71/60/26/958716026.db2.gz QVAKSUIXYRCEIX-NSHDSACASA-N -1 0 348.182 3.750 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)Cc1coc(-c2cccs2)n1 ZINC001594391053 958721441 /nfs/dbraw/zinc/72/14/41/958721441.db2.gz QARFNIZDRCPFIJ-UHFFFAOYSA-N -1 0 342.376 3.591 20 0 EHADRM CCOc1ccc(C(=O)N(CCC(=O)[O-])c2ccccc2C)cc1 ZINC000391788028 972372730 /nfs/dbraw/zinc/37/27/30/972372730.db2.gz UWKOZKWZVJWQJZ-UHFFFAOYSA-N -1 0 327.380 3.515 20 0 EHADRM Cc1cccc(Cl)c1NC(=O)CNc1cccc(CCC(=O)[O-])c1 ZINC001594403780 958874886 /nfs/dbraw/zinc/87/48/86/958874886.db2.gz MISNCPOGMXRMDM-UHFFFAOYSA-N -1 0 346.814 3.716 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)Cc1ccc(Cl)cc1Cl ZINC000136715134 958908730 /nfs/dbraw/zinc/90/87/30/958908730.db2.gz KBROQTPRFNDOKI-LBPRGKRZSA-N -1 0 332.227 3.542 20 0 EHADRM CC(C)(C)c1ccc(OCCCC(=O)N2CCC[C@@]2(C)C(=O)[O-])cc1 ZINC001573462506 958918903 /nfs/dbraw/zinc/91/89/03/958918903.db2.gz CSEFVOGCMXVAOI-FQEVSTJZSA-N -1 0 347.455 3.609 20 0 EHADRM C[C@H](C(=O)N[C@H](CCC(=O)[O-])c1ccccc1)c1cccc(F)c1 ZINC000139446509 958968880 /nfs/dbraw/zinc/96/88/80/958968880.db2.gz USKJHZZSJHMBJM-SUMWQHHRSA-N -1 0 329.371 3.652 20 0 EHADRM CC(C)(CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc2ccccc2c1 ZINC001573478698 958971111 /nfs/dbraw/zinc/97/11/11/958971111.db2.gz XGAFPDJVBGVIAT-DLBZAZTESA-N -1 0 339.435 3.735 20 0 EHADRM C[C@H](C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC001588549138 959009508 /nfs/dbraw/zinc/00/95/08/959009508.db2.gz SFZSQZLHPPTJPZ-NTZNESFSSA-N -1 0 343.345 3.521 20 0 EHADRM Cc1ccccc1COc1cccc(NC(=O)[C@]2(C(=O)[O-])C[C@H]2C)c1 ZINC001594417798 959023977 /nfs/dbraw/zinc/02/39/77/959023977.db2.gz CIJYGTROKKRKJJ-VLIAUNLRSA-N -1 0 339.391 3.623 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001573509450 959080566 /nfs/dbraw/zinc/08/05/66/959080566.db2.gz HWCWKPFUQGZYLM-LSDHHAIUSA-N -1 0 349.471 3.615 20 0 EHADRM CC(C)C[C@H](CNC(=O)N(C)[C@H]1CCC[C@@H]1C(C)(C)C)C(=O)[O-] ZINC001573509934 959088584 /nfs/dbraw/zinc/08/85/84/959088584.db2.gz WZYYURPQPACLQV-ILXRZTDVSA-N -1 0 326.481 3.590 20 0 EHADRM CC(C)CCN(CCC(C)C)C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001573518179 959117664 /nfs/dbraw/zinc/11/76/64/959117664.db2.gz QNAQUWLHANAMDO-UHFFFAOYSA-N -1 0 335.444 3.684 20 0 EHADRM Cc1cn2c(nc(C)c2CNc2cccc(CCC(=O)[O-])c2)s1 ZINC001594428306 959147268 /nfs/dbraw/zinc/14/72/68/959147268.db2.gz MIYQBVGXUUZEAN-UHFFFAOYSA-N -1 0 329.425 3.642 20 0 EHADRM CSc1c(F)cc(NC(=O)c2coc(/C=C/C(=O)[O-])c2)cc1F ZINC001594189489 959158838 /nfs/dbraw/zinc/15/88/38/959158838.db2.gz ILJGSMWXKDVKMV-NSCUHMNNSA-N -1 0 339.319 3.630 20 0 EHADRM Cc1cnc2c(NC(=O)[C@]3(C(=O)[O-])CC3(C)C)cccc2c1Cl ZINC001594429834 959166015 /nfs/dbraw/zinc/16/60/15/959166015.db2.gz HFFJRYJFCSFMME-KRWDZBQOSA-N -1 0 332.787 3.636 20 0 EHADRM CSc1ccc(NC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC001594193821 959182851 /nfs/dbraw/zinc/18/28/51/959182851.db2.gz MJYAHHREMSVHLT-SFHVURJKSA-N -1 0 344.436 3.573 20 0 EHADRM CSc1ccc(C)c(C(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2)c1 ZINC001594195219 959191357 /nfs/dbraw/zinc/19/13/57/959191357.db2.gz RZOMYOXOQRBMDE-MRXNPFEDSA-N -1 0 329.421 3.581 20 0 EHADRM CSCC[C@H](C)N(C)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000161794576 959193877 /nfs/dbraw/zinc/19/38/77/959193877.db2.gz UGSQXOPUEYXWQG-VIFPVBQESA-N -1 0 330.837 3.644 20 0 EHADRM Cc1cc(COc2cc(Br)ccc2F)oc1C(=O)[O-] ZINC000164770253 959261133 /nfs/dbraw/zinc/26/11/33/959261133.db2.gz KECDCJDJDMJPAN-UHFFFAOYSA-N -1 0 329.121 3.767 20 0 EHADRM Cc1oc(COc2cc(Br)ccc2F)cc1C(=O)[O-] ZINC000164771789 959261641 /nfs/dbraw/zinc/26/16/41/959261641.db2.gz LXYLIHYHZAQBLQ-UHFFFAOYSA-N -1 0 329.121 3.767 20 0 EHADRM CCC(CC)(CNC(=O)c1cc(F)c(Cl)cc1Cl)C(=O)[O-] ZINC000165010956 959270108 /nfs/dbraw/zinc/27/01/08/959270108.db2.gz OWBRMYJKKGERGB-UHFFFAOYSA-N -1 0 336.190 3.753 20 0 EHADRM CC(C)CC1(CNC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CC1 ZINC000392147943 972416157 /nfs/dbraw/zinc/41/61/57/972416157.db2.gz XIVYKWXYZBPPLK-UHFFFAOYSA-N -1 0 326.343 3.611 20 0 EHADRM CC(C)c1ccc(OCCC(=O)N(CC(=O)[O-])CC(C)(C)C)cc1 ZINC001573566505 959290714 /nfs/dbraw/zinc/29/07/14/959290714.db2.gz IFABESTXDOCPOW-UHFFFAOYSA-N -1 0 335.444 3.538 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC001588585531 959306074 /nfs/dbraw/zinc/30/60/74/959306074.db2.gz OKSOVENEDQBHFZ-GFCCVEGCSA-N -1 0 336.347 3.668 20 0 EHADRM C[C@@H](C(=O)[O-])N(c1nc2ccccc2c(-c2ccccc2)n1)C1CC1 ZINC001588596892 959382920 /nfs/dbraw/zinc/38/29/20/959382920.db2.gz KKLZHABXSRQCLV-ZDUSSCGKSA-N -1 0 333.391 3.739 20 0 EHADRM C[C@@H](Nc1cc(-c2ccccc2)ncn1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603255410 972429182 /nfs/dbraw/zinc/42/91/82/972429182.db2.gz KPBNOYNHLCSOBM-VHDGCEQUSA-N -1 0 325.412 3.691 20 0 EHADRM C[C@H](CSc1ccccc1)N(C)C(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001573607775 959459804 /nfs/dbraw/zinc/45/98/04/959459804.db2.gz INMUZVFKWHSQFX-CJNGLKHVSA-N -1 0 335.469 3.517 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccc(-c3nccs3)cc2)C1 ZINC000183964992 959461213 /nfs/dbraw/zinc/46/12/13/959461213.db2.gz SQJYWCPOMOUEQS-QWHCGFSZSA-N -1 0 330.409 3.640 20 0 EHADRM Cc1nc2c(Cl)cccc2cc1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001594461437 959462618 /nfs/dbraw/zinc/46/26/18/959462618.db2.gz FVVSXOICNQRFEN-UHFFFAOYSA-N -1 0 341.754 3.542 20 0 EHADRM Cc1nc2c(Cl)cccc2cc1C(=O)N1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC001594461642 959465864 /nfs/dbraw/zinc/46/58/64/959465864.db2.gz MUVAYFJQCWNPNG-MEBBXXQBSA-N -1 0 346.814 3.664 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001573608596 959467704 /nfs/dbraw/zinc/46/77/04/959467704.db2.gz SRBVLNCUBPHMLU-LBPRGKRZSA-N -1 0 331.799 3.533 20 0 EHADRM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])cn1 ZINC000190626317 959517200 /nfs/dbraw/zinc/51/72/00/959517200.db2.gz PGVPCEMTNKRSAA-FUHWJXTLSA-N -1 0 338.407 3.578 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1C(=O)[O-] ZINC000190890716 959527958 /nfs/dbraw/zinc/52/79/58/959527958.db2.gz CYOICBXTCNMYDQ-RBSFLKMASA-N -1 0 333.428 3.851 20 0 EHADRM Cc1noc(C)c1[C@H](C)CC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000191014356 959537002 /nfs/dbraw/zinc/53/70/02/959537002.db2.gz XWLPQJIXUPVRRY-MRVPVSSYSA-N -1 0 336.775 3.775 20 0 EHADRM COc1ccccc1CCC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000191398890 959558730 /nfs/dbraw/zinc/55/87/30/959558730.db2.gz KKSNXDPMBIUFHM-CQSZACIVSA-N -1 0 341.407 3.530 20 0 EHADRM CSc1ccc(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)cc1 ZINC000191520346 959575682 /nfs/dbraw/zinc/57/56/82/959575682.db2.gz XIOOUBLPBMFALN-INIZCTEOSA-N -1 0 343.448 3.614 20 0 EHADRM C[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])c1ccc(-c2ccncc2)cc1 ZINC000191626227 959584734 /nfs/dbraw/zinc/58/47/34/959584734.db2.gz WNMKBIBZYTYQBO-CQSZACIVSA-N -1 0 340.423 3.817 20 0 EHADRM C[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000191646115 959587095 /nfs/dbraw/zinc/58/70/95/959587095.db2.gz SPEBZUSNFAIYMM-CQSZACIVSA-N -1 0 340.423 3.817 20 0 EHADRM Cc1c(C(=O)[O-])sc2[nH]c(-c3ccc4ccccc4c3)nc(=O)c12 ZINC000201365346 959638656 /nfs/dbraw/zinc/63/86/56/959638656.db2.gz AUEJZLZTJWPXSB-UHFFFAOYSA-N -1 0 336.372 3.811 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)Nc1ncccc1C(=O)[O-] ZINC001594260640 959694584 /nfs/dbraw/zinc/69/45/84/959694584.db2.gz PZBCWRVUEPWAFJ-UHFFFAOYSA-N -1 0 330.340 3.694 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)O[C@@H]1CCCc2c(F)cc(F)cc21 ZINC001588641254 959698655 /nfs/dbraw/zinc/69/86/55/959698655.db2.gz ZZQYTNCWPHRTHI-KGLIPLIRSA-N -1 0 326.339 3.632 20 0 EHADRM Cc1c2nc(NC(=O)c3coc(/C=C\C(=O)[O-])c3)sc2ccc1F ZINC001594263019 959716064 /nfs/dbraw/zinc/71/60/64/959716064.db2.gz YQCXJDSLDZPNCD-DJWKRKHSSA-N -1 0 346.339 3.687 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)/C=C\c1ccnc2ccccc12)C(=O)[O-] ZINC001588645186 959727623 /nfs/dbraw/zinc/72/76/23/959727623.db2.gz JEJOPKFQIUVALD-JJEJIETFSA-N -1 0 340.423 3.644 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)[C@@]1(C)CCCc2ccccc21)C(=O)[O-] ZINC001588645614 959734423 /nfs/dbraw/zinc/73/44/23/959734423.db2.gz QKAGCWXWMQETCB-UZLBHIALSA-N -1 0 331.456 3.676 20 0 EHADRM Cc1c(F)c(F)ccc1NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001594266244 959740833 /nfs/dbraw/zinc/74/08/33/959740833.db2.gz FVRZNRMRCQNLHT-OUAUKWLOSA-N -1 0 340.370 3.530 20 0 EHADRM CC1(CNC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)CCCCCC1 ZINC001573684145 959741392 /nfs/dbraw/zinc/74/13/92/959741392.db2.gz JKIMSLZXTCGZGS-QGZVFWFLSA-N -1 0 344.455 3.741 20 0 EHADRM CC1(c2ccccc2C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)CC1 ZINC001573689539 959759335 /nfs/dbraw/zinc/75/93/35/959759335.db2.gz OUGIEBRDBKQPDF-QGZVFWFLSA-N -1 0 335.403 3.562 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)C1 ZINC001573699620 959818112 /nfs/dbraw/zinc/81/81/12/959818112.db2.gz SXTOEXGAZPAEOW-GJZGRUSLSA-N -1 0 343.467 3.585 20 0 EHADRM C[C@@H]1CC[C@](C)(/C=C/C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C1(C)C ZINC001573712682 959857956 /nfs/dbraw/zinc/85/79/56/959857956.db2.gz UUMBMVFCOLZBBF-TXFSVKSUSA-N -1 0 347.459 3.660 20 0 EHADRM O=C([O-])c1ccc2c(c1)N(Cc1cc(Br)cs1)CC2 ZINC000228535222 960023214 /nfs/dbraw/zinc/02/32/14/960023214.db2.gz HNYQONYJBCSSIJ-UHFFFAOYSA-N -1 0 338.226 3.772 20 0 EHADRM O=C([O-])c1cc(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)no1 ZINC000230042424 960112273 /nfs/dbraw/zinc/11/22/73/960112273.db2.gz MZGHVACUQVATJC-UHFFFAOYSA-N -1 0 335.530 3.585 20 0 EHADRM CC(C)[C@@H](NC(=O)Cc1ccccc1C(=O)[O-])c1ccc(F)cc1 ZINC000392415695 972483511 /nfs/dbraw/zinc/48/35/11/972483511.db2.gz XMQLGWQLSUTWCW-GOSISDBHSA-N -1 0 329.371 3.580 20 0 EHADRM Cc1ccc(N(C)C(=O)Nc2cccc(CCC(=O)[O-])c2)c(C)c1 ZINC000392521516 972493728 /nfs/dbraw/zinc/49/37/28/972493728.db2.gz IONROXHQNZBOLE-UHFFFAOYSA-N -1 0 326.396 3.989 20 0 EHADRM Cc1sc(-c2ccco2)nc1C(=O)Nc1c(F)cccc1C(=O)[O-] ZINC000392583017 972499257 /nfs/dbraw/zinc/49/92/57/972499257.db2.gz XRMLVAWMSWURDN-UHFFFAOYSA-N -1 0 346.339 3.801 20 0 EHADRM CCC(CC)n1ccc(COc2cc(/C=C/C(=O)[O-])ccc2OC)n1 ZINC000392664254 972507466 /nfs/dbraw/zinc/50/74/66/972507466.db2.gz UFRUJGWVRARZRL-VQHVLOKHSA-N -1 0 344.411 3.930 20 0 EHADRM CSCCCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001574253683 960524067 /nfs/dbraw/zinc/52/40/67/960524067.db2.gz JYCNBNGNKZIRRV-VIFPVBQESA-N -1 0 327.471 3.653 20 0 EHADRM CCc1ccc(NC(=O)c2ccc(C(F)(F)F)cn2)c(C(=O)[O-])c1 ZINC000392706273 972511286 /nfs/dbraw/zinc/51/12/86/972511286.db2.gz IKJSGHZQXVVWKX-UHFFFAOYSA-N -1 0 338.285 3.613 20 0 EHADRM Cc1ccc(CC2CCN(C(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)CC2)cc1 ZINC001255838725 960656327 /nfs/dbraw/zinc/65/63/27/960656327.db2.gz FENHTBINHRCEBW-RBUKOAKNSA-N -1 0 343.467 3.667 20 0 EHADRM N#Cc1ccc(NCc2ccc(C(=O)[O-])cc2Br)c(F)c1 ZINC000236475262 960658391 /nfs/dbraw/zinc/65/83/91/960658391.db2.gz CYGOQXOFYSAMTA-UHFFFAOYSA-N -1 0 349.159 3.770 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N1CCC[C@H](c2ccccc2OC)CC1 ZINC001573775731 960671505 /nfs/dbraw/zinc/67/15/05/960671505.db2.gz AAACMFNVKVKOJG-HNNXBMFYSA-N -1 0 347.455 3.682 20 0 EHADRM CC(C)(C)c1ccc(OCCCC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])cc1 ZINC000236594473 960712937 /nfs/dbraw/zinc/71/29/37/960712937.db2.gz BEBLWWGTSCAQNE-SJORKVTESA-N -1 0 347.455 3.513 20 0 EHADRM Cc1cc(OCC(=O)NCc2cccc(C(=O)[O-])c2)ccc1C(C)C ZINC000236672501 960729641 /nfs/dbraw/zinc/72/96/41/960729641.db2.gz OTQYGSWHLIGDCL-UHFFFAOYSA-N -1 0 341.407 3.512 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1 ZINC001573785286 960732237 /nfs/dbraw/zinc/73/22/37/960732237.db2.gz PYLAYDLWQSXYFY-UHFFFAOYSA-N -1 0 345.399 3.690 20 0 EHADRM Cc1cc2occ(CC(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])c2cc1C(C)C ZINC000236701249 960736353 /nfs/dbraw/zinc/73/63/53/960736353.db2.gz MMFAVOAVFJYFEJ-RHSMWYFYSA-N -1 0 343.423 3.777 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC000236717203 960742851 /nfs/dbraw/zinc/74/28/51/960742851.db2.gz JOAQGRYBNRZONS-OAHLLOKOSA-N -1 0 348.349 3.575 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(OCC(=O)[O-])cc2C)C1(C)C ZINC000236744910 960748896 /nfs/dbraw/zinc/74/88/96/960748896.db2.gz CGTDPSZJEAWBLJ-RHSMWYFYSA-N -1 0 331.412 3.635 20 0 EHADRM CC(C)(C)c1ccccc1OCC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000236754429 960751083 /nfs/dbraw/zinc/75/10/83/960751083.db2.gz XIGIZYVTOHDHAM-UHFFFAOYSA-N -1 0 341.407 3.629 20 0 EHADRM CC(C)c1ccsc1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000236815751 960762231 /nfs/dbraw/zinc/76/22/31/960762231.db2.gz DYURSIXJAOUJTR-UHFFFAOYSA-N -1 0 333.409 3.977 20 0 EHADRM CCCC[C@@H](NC(=O)c1ccc(SC(F)(F)F)cc1)C(=O)[O-] ZINC000236853294 960775152 /nfs/dbraw/zinc/77/51/52/960775152.db2.gz QCDJROZXVAESNN-LLVKDONJSA-N -1 0 335.347 3.672 20 0 EHADRM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000236888412 960789658 /nfs/dbraw/zinc/78/96/58/960789658.db2.gz FIGFOJNNSNWVBO-CQSZACIVSA-N -1 0 333.771 3.834 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)c(-n2cccc2)s1 ZINC001574316245 960790707 /nfs/dbraw/zinc/79/07/07/960790707.db2.gz NSWYPKLPBPQSAA-UHFFFAOYSA-N -1 0 342.376 3.503 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)CSc1cccc(C(F)(F)F)c1 ZINC000236897780 960791106 /nfs/dbraw/zinc/79/11/06/960791106.db2.gz ODIPJNWYJAOOSY-JTQLQIEISA-N -1 0 349.374 3.509 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000236916953 960798040 /nfs/dbraw/zinc/79/80/40/960798040.db2.gz VYEVGRYERHGEPR-VHSSKADRSA-N -1 0 325.408 3.655 20 0 EHADRM CCCCc1nc2cc(NC(=O)c3ccc(C(=O)[O-])s3)ccc2[nH]1 ZINC000236945345 960806082 /nfs/dbraw/zinc/80/60/82/960806082.db2.gz XZDSFXYONKBIHK-UHFFFAOYSA-N -1 0 343.408 3.918 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1ccc(OC)c(-c2ccccc2)c1)C(=O)[O-] ZINC000236992220 960828378 /nfs/dbraw/zinc/82/83/78/960828378.db2.gz PVEVUCRMALBKTH-UGSOOPFHSA-N -1 0 341.407 3.591 20 0 EHADRM Cc1cc(C)c2cc(C(=O)NCc3ccc(C(=O)[O-])cc3)sc2n1 ZINC001574322031 960828580 /nfs/dbraw/zinc/82/85/80/960828580.db2.gz KDURQDYZKWCCIZ-UHFFFAOYSA-N -1 0 340.404 3.541 20 0 EHADRM CCC[C@H](NC(=O)c1cc(-c2ccccc2)ccc1Cl)C(=O)[O-] ZINC000237016818 960836595 /nfs/dbraw/zinc/83/65/95/960836595.db2.gz PAYPIQIXZJXRPR-INIZCTEOSA-N -1 0 331.799 3.990 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)C1(c2cccc(Cl)c2)CCCCC1 ZINC000237016282 960838058 /nfs/dbraw/zinc/83/80/58/960838058.db2.gz BNJDTNZRLNFGII-UHFFFAOYSA-N -1 0 337.847 3.865 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N(C)CCCC(=O)[O-] ZINC000237041916 960849727 /nfs/dbraw/zinc/84/97/27/960849727.db2.gz DWHIFJKSGXGMGA-UHFFFAOYSA-N -1 0 325.364 3.831 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000237042992 960852115 /nfs/dbraw/zinc/85/21/15/960852115.db2.gz HOZPFOCZFDOOFP-DLBZAZTESA-N -1 0 343.810 3.800 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000237057996 960858969 /nfs/dbraw/zinc/85/89/69/960858969.db2.gz LYFAEQXGDIYFBK-UHFFFAOYSA-N -1 0 338.190 3.964 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1csc2c1CCCC2 ZINC000237075995 960865690 /nfs/dbraw/zinc/86/56/90/960865690.db2.gz VUMVXRZOZVIMRX-UHFFFAOYSA-N -1 0 329.421 3.597 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001263629555 960874969 /nfs/dbraw/zinc/87/49/69/960874969.db2.gz HHCQFDWRCUSDFE-UHFFFAOYSA-N -1 0 327.380 3.700 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001574331153 960890652 /nfs/dbraw/zinc/89/06/52/960890652.db2.gz YRBUURUSOOHKMX-CVEARBPZSA-N -1 0 329.783 3.691 20 0 EHADRM CC[C@H](NC(=O)NCc1ccccc1C(=O)[O-])c1ccc(F)cc1F ZINC001573810691 960894017 /nfs/dbraw/zinc/89/40/17/960894017.db2.gz OLCNXLFWVMTZTD-INIZCTEOSA-N -1 0 348.349 3.614 20 0 EHADRM Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000237430920 960934956 /nfs/dbraw/zinc/93/49/56/960934956.db2.gz LQUJGFMVXMCRII-LLVKDONJSA-N -1 0 333.771 3.753 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)C[C@H](C)c2ccc(F)cc2)cc1 ZINC001319309320 960935964 /nfs/dbraw/zinc/93/59/64/960935964.db2.gz HVTNRBWOABNBCS-KSSFIOAISA-N -1 0 343.398 3.960 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)C[C@H]2CCc3ccccc32)cc1 ZINC001319310153 960938387 /nfs/dbraw/zinc/93/83/87/960938387.db2.gz XRRLTIQINPFNKJ-IEBWSBKVSA-N -1 0 337.419 3.747 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000237569076 960962115 /nfs/dbraw/zinc/96/21/15/960962115.db2.gz VMGWMUZCNOPRBJ-NSHDSACASA-N -1 0 349.839 3.835 20 0 EHADRM CC[C@H](C)Oc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2C)ccn1 ZINC001320894490 960990848 /nfs/dbraw/zinc/99/08/48/960990848.db2.gz MHZBWBZBUFFPEH-LBPRGKRZSA-N -1 0 328.368 3.518 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)cc1C(=O)[O-] ZINC000237705472 961001022 /nfs/dbraw/zinc/00/10/22/961001022.db2.gz HFFFNGAKNGQNEM-OLZOCXBDSA-N -1 0 331.318 3.714 20 0 EHADRM Cc1nc(-c2ccccc2)ccc1C(=O)NCCCCCCC(=O)[O-] ZINC000237701916 961001360 /nfs/dbraw/zinc/00/13/60/961001360.db2.gz AJEJXNPNXHXKDZ-UHFFFAOYSA-N -1 0 340.423 3.822 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@@]3(C(=O)[O-])CC=CCC3)C2)cc1 ZINC001574360593 961025231 /nfs/dbraw/zinc/02/52/31/961025231.db2.gz DSFQNGXLVWGZFX-WRWLIDTKSA-N -1 0 327.424 3.511 20 0 EHADRM Cc1c2ccccc2oc1C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000237822555 961029335 /nfs/dbraw/zinc/02/93/35/961029335.db2.gz ONVKJDCMBQKQTQ-LBPRGKRZSA-N -1 0 329.377 3.749 20 0 EHADRM CCC[C@@H](Cc1ccccc1)NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001573836363 961055480 /nfs/dbraw/zinc/05/54/80/961055480.db2.gz RQHJDASQOCVSQG-YDZSZYSISA-N -1 0 327.380 3.519 20 0 EHADRM O=C([O-])CCCOc1ccc(CNC(=O)CC2CCCCCC2)cc1 ZINC000237993147 961069449 /nfs/dbraw/zinc/06/94/49/961069449.db2.gz SBWIZRXQGKRWDP-UHFFFAOYSA-N -1 0 347.455 3.907 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)CCOc2ccc(Cl)cc2)c1 ZINC000238099556 961096924 /nfs/dbraw/zinc/09/69/24/961096924.db2.gz AIXMUZBMGBUTSA-UHFFFAOYSA-N -1 0 337.734 3.585 20 0 EHADRM O=C([O-])[C@H](c1ccccc1)N1CCO[C@H](c2ccc(Cl)s2)C1 ZINC001326503549 961103147 /nfs/dbraw/zinc/10/31/47/961103147.db2.gz VIEJFSBSBMQMOD-WFASDCNBSA-N -1 0 337.828 3.601 20 0 EHADRM Cc1ccc(SC2(CNC(=O)[C@@H]3CC[C@H]3C(=O)[O-])CCCC2)cc1 ZINC001574382225 961112709 /nfs/dbraw/zinc/11/27/09/961112709.db2.gz JROMCXDRHRTQEQ-HZPDHXFCSA-N -1 0 347.480 3.627 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1ccc(SC(F)F)cc1 ZINC000238128191 961117678 /nfs/dbraw/zinc/11/76/78/961117678.db2.gz GYOXHJSIAVHZKM-UHFFFAOYSA-N -1 0 331.384 3.766 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)C1 ZINC000245745592 961191526 /nfs/dbraw/zinc/19/15/26/961191526.db2.gz SKUZVSHTEAQBAL-IIAWOOMASA-N -1 0 335.831 3.895 20 0 EHADRM Cc1cccc([C@@H](NCc2sccc2Br)C(=O)[O-])c1 ZINC001574394849 961200584 /nfs/dbraw/zinc/20/05/84/961200584.db2.gz GEXCPBHAAUDELR-CYBMUJFWSA-N -1 0 340.242 3.735 20 0 EHADRM Cc1cccc2c1N(C(=O)c1cccc(OCC(=O)[O-])c1)CC[C@@H]2C ZINC001574403447 961247892 /nfs/dbraw/zinc/24/78/92/961247892.db2.gz TTXQNGWKKDHFOA-ZDUSSCGKSA-N -1 0 339.391 3.612 20 0 EHADRM COc1sc(/C=C\c2ncc(C(=O)[O-])s2)cc1Br ZINC000255292611 961324756 /nfs/dbraw/zinc/32/47/56/961324756.db2.gz HCMLAVJPQROBNU-IHWYPQMZSA-N -1 0 346.227 3.844 20 0 EHADRM Cc1nc2c(Cl)cccc2cc1C(=O)Nc1ncccc1C(=O)[O-] ZINC001574424531 961361835 /nfs/dbraw/zinc/36/18/35/961361835.db2.gz ZQDAADLDRSEDLU-UHFFFAOYSA-N -1 0 341.754 3.542 20 0 EHADRM Cc1nc2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3F)cc2s1 ZINC001574426393 961366373 /nfs/dbraw/zinc/36/63/73/961366373.db2.gz GDKAOALKQAGLEJ-UHFFFAOYSA-N -1 0 330.340 3.694 20 0 EHADRM CCCCOc1ccc(C(=O)Nc2cccc(OCC(=O)[O-])c2)cc1 ZINC000261684219 961387699 /nfs/dbraw/zinc/38/76/99/961387699.db2.gz MZMVWJRFQVOHCV-UHFFFAOYSA-N -1 0 343.379 3.581 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CCCOCCc1ccccc1 ZINC000261767120 961392911 /nfs/dbraw/zinc/39/29/11/961392911.db2.gz IKXGDQDFDOEZIP-UHFFFAOYSA-N -1 0 341.407 3.671 20 0 EHADRM C[C@H](CC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000262049329 961416400 /nfs/dbraw/zinc/41/64/00/961416400.db2.gz VFTDXRDOYRLRDZ-CYBMUJFWSA-N -1 0 329.371 3.676 20 0 EHADRM O=C([O-])c1cccc(CC(=O)Nc2ccc(OC3CCC3)c(F)c2)c1 ZINC000262088246 961447486 /nfs/dbraw/zinc/44/74/86/961447486.db2.gz GDWDMMPWFFUHNM-UHFFFAOYSA-N -1 0 343.354 3.636 20 0 EHADRM O=C([O-])c1cccc(CC(=O)Nc2ccc(OC3CCCC3)cc2)c1 ZINC000262102520 961458947 /nfs/dbraw/zinc/45/89/47/961458947.db2.gz DQGULHUXSLEGFY-UHFFFAOYSA-N -1 0 339.391 3.887 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000262134440 961489598 /nfs/dbraw/zinc/48/95/98/961489598.db2.gz HTWDLTDHRNRJIO-FQEVSTJZSA-N -1 0 327.424 3.666 20 0 EHADRM CCOc1c(Cl)cccc1NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001573918657 961508307 /nfs/dbraw/zinc/50/83/07/961508307.db2.gz ARKBCDNQHRIWMM-CLFYSBASSA-N -1 0 335.743 3.682 20 0 EHADRM Cc1cc(C(=O)CCC(=O)Nc2ccc(CC(=O)[O-])cc2)c(C)s1 ZINC000262160615 961511491 /nfs/dbraw/zinc/51/14/91/961511491.db2.gz CSBDWPBHPVGUOZ-UHFFFAOYSA-N -1 0 345.420 3.594 20 0 EHADRM Cn1ccc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1-c1ccccc1 ZINC001574457009 961522862 /nfs/dbraw/zinc/52/28/62/961522862.db2.gz ZLJUHGABCVPBCX-INIZCTEOSA-N -1 0 342.439 3.701 20 0 EHADRM Cc1nc(C)c([C@@H](C)N(C)C(=O)CCc2ccccc2C(=O)[O-])s1 ZINC000262203108 961549564 /nfs/dbraw/zinc/54/95/64/961549564.db2.gz OWNMRANBAGADOR-GFCCVEGCSA-N -1 0 346.452 3.610 20 0 EHADRM CC(C)Oc1ccc([C@H](C)NC(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC000262222151 961567136 /nfs/dbraw/zinc/56/71/36/961567136.db2.gz MTHWWXAJDWMQHJ-AWEZNQCLSA-N -1 0 341.407 3.592 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001332506798 961586039 /nfs/dbraw/zinc/58/60/39/961586039.db2.gz IWRWCHJGQDOMEJ-CQSZACIVSA-N -1 0 329.440 3.876 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC000262252228 961595323 /nfs/dbraw/zinc/59/53/23/961595323.db2.gz VOKXIUJDDQKEHJ-LJQANCHMSA-N -1 0 337.419 3.990 20 0 EHADRM CC(C)[C@H](CNC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC001588821016 961615105 /nfs/dbraw/zinc/61/51/05/961615105.db2.gz MGEVOABVOQJWKW-SLWQEBJJSA-N -1 0 327.380 3.547 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000262283516 961617734 /nfs/dbraw/zinc/61/77/34/961617734.db2.gz ZWVFZPSUMFXMIH-CQSZACIVSA-N -1 0 329.440 3.876 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)C(=O)Nc2ccc(CC(=O)[O-])cc2)c1 ZINC000262297130 961627783 /nfs/dbraw/zinc/62/77/83/961627783.db2.gz PBEVROCNROJULY-AWEZNQCLSA-N -1 0 341.407 3.843 20 0 EHADRM CCCC[C@H](NC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1)C(=O)[O-] ZINC000262299015 961630397 /nfs/dbraw/zinc/63/03/97/961630397.db2.gz PSJPRCSBTXQHCU-HNNXBMFYSA-N -1 0 343.379 3.522 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(Cc2cc(F)cc(Cl)c2)C1 ZINC001333137804 961654523 /nfs/dbraw/zinc/65/45/23/961654523.db2.gz OLAFZIPLCVVOAR-ZJUUUORDSA-N -1 0 339.716 3.564 20 0 EHADRM COc1cccc([C@H](C)CC(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC000262358301 961669601 /nfs/dbraw/zinc/66/96/01/961669601.db2.gz GHWJCANSLCRTDW-CQSZACIVSA-N -1 0 341.407 3.845 20 0 EHADRM CCc1ccc(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)cc1OC ZINC001573956389 961672068 /nfs/dbraw/zinc/67/20/68/961672068.db2.gz GHMKJUYLGCZXBB-ZDUSSCGKSA-N -1 0 336.432 3.516 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000262427185 961713498 /nfs/dbraw/zinc/71/34/98/961713498.db2.gz RUXRKLKLUWDGDA-QGZVFWFLSA-N -1 0 333.428 3.770 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc3cc(F)ccc3[nH]2)cc1 ZINC001333553055 961720082 /nfs/dbraw/zinc/72/00/82/961720082.db2.gz TUYFIXWPFVPTFM-INIZCTEOSA-N -1 0 340.354 3.561 20 0 EHADRM CN(C(=O)NCc1ccc(C(=O)[O-])cc1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC001573980192 961766944 /nfs/dbraw/zinc/76/69/44/961766944.db2.gz ZELGZHQQCLMGIV-HOTGVXAUSA-N -1 0 332.444 3.741 20 0 EHADRM C[C@H](C(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-])c1ccc(Cl)s1 ZINC000262709364 961818559 /nfs/dbraw/zinc/81/85/59/961818559.db2.gz BIYQBECTMXTMOA-WMFXKJRFSA-N -1 0 329.849 3.655 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1ccnc(OC2CCC2)c1 ZINC000262720788 961825009 /nfs/dbraw/zinc/82/50/09/961825009.db2.gz DXDDTSZJTYXLLW-UHFFFAOYSA-N -1 0 340.379 3.580 20 0 EHADRM CCSCc1ccc(C(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])cc1 ZINC000262726754 961830408 /nfs/dbraw/zinc/83/04/08/961830408.db2.gz GSNQMPCSSTZAPM-MAUKXSAKSA-N -1 0 335.469 3.703 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)NCc2ccccc2OC2CCCC2)CC1 ZINC000262725142 961830626 /nfs/dbraw/zinc/83/06/26/961830626.db2.gz SAQTVZZSCSVKQH-SHTZXODSSA-N -1 0 345.439 3.515 20 0 EHADRM O=C([O-])c1cccnc1NC(=O)/C=C\c1ccsc1C(F)(F)F ZINC001574515089 961841232 /nfs/dbraw/zinc/84/12/32/961841232.db2.gz DHMVOLHKAKAKPC-ARJAWSKDSA-N -1 0 342.298 3.512 20 0 EHADRM O=C([O-])c1c(NC(=O)CC(F)(F)C(F)F)sc2c1CCCC2 ZINC001574515550 961843779 /nfs/dbraw/zinc/84/37/79/961843779.db2.gz KWDIPSCOEZRIRL-UHFFFAOYSA-N -1 0 339.310 3.554 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cccc([C@@H]3CCOC3)c2)c1 ZINC000262821272 961889217 /nfs/dbraw/zinc/88/92/17/961889217.db2.gz AVUFEKQQCFVGQV-CXAGYDPISA-N -1 0 339.391 3.631 20 0 EHADRM COc1cccc([C@H](C)C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c1 ZINC000262835595 961902009 /nfs/dbraw/zinc/90/20/09/961902009.db2.gz BZOSVYRCINAIPT-STQMWFEESA-N -1 0 327.380 3.626 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@@H](c1ccncc1)C1CCCCC1)C(=O)[O-] ZINC001588847426 961902072 /nfs/dbraw/zinc/90/20/72/961902072.db2.gz RKFAQXKBKNDIEG-QZTJIDSGSA-N -1 0 346.471 3.609 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2noc3c2CCCCC3)cc1 ZINC000262837928 961904320 /nfs/dbraw/zinc/90/43/20/961904320.db2.gz ZBYFMRRAWYMLLW-UHFFFAOYSA-N -1 0 342.395 3.558 20 0 EHADRM CCOc1cc(Cl)ccc1NC(=O)c1c(C)coc1CC(=O)[O-] ZINC000262852723 961917738 /nfs/dbraw/zinc/91/77/38/961917738.db2.gz DHONIXBTBUCOLC-UHFFFAOYSA-N -1 0 337.759 3.520 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N1CCc2ccccc2[C@@H]1C(C)C)C(=O)[O-] ZINC001588852514 961944317 /nfs/dbraw/zinc/94/43/17/961944317.db2.gz OOFMWPJNJRBHPA-WMZOPIPTSA-N -1 0 346.471 3.698 20 0 EHADRM CC(C)C[C@H](CNC(=O)N[C@H](C)c1ccc(F)cc1Cl)C(=O)[O-] ZINC001588852912 961950411 /nfs/dbraw/zinc/95/04/11/961950411.db2.gz KEDUZEZCNZQDBI-GHMZBOCLSA-N -1 0 344.814 3.586 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)c2cc(Cl)ccc2F)c2ccccc21 ZINC001574557387 961998047 /nfs/dbraw/zinc/99/80/47/961998047.db2.gz KABNDMSFDVRXOL-DOMZBBRYSA-N -1 0 333.746 3.522 20 0 EHADRM CCc1ccc([C@H]2CN(Cc3cccc(C(=O)[O-])c3)CCO2)cc1 ZINC000262929547 962012235 /nfs/dbraw/zinc/01/22/35/962012235.db2.gz ACIOTDAETGGZGZ-LJQANCHMSA-N -1 0 325.408 3.521 20 0 EHADRM CC(C)(CCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000262929574 962013218 /nfs/dbraw/zinc/01/32/18/962013218.db2.gz GVTITVJLAIFIEH-WDEREUQCSA-N -1 0 344.238 3.714 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC001339493388 962029147 /nfs/dbraw/zinc/02/91/47/962029147.db2.gz OQIDNOKZGCKNBJ-VIFPVBQESA-N -1 0 336.413 3.531 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)N[C@H](CC(C)C)C(=O)[O-])c1 ZINC001588867754 962031076 /nfs/dbraw/zinc/03/10/76/962031076.db2.gz JEPKEAOQFKFLKP-MRXNPFEDSA-N -1 0 336.432 3.732 20 0 EHADRM COc1cc(NC(=O)[C@H](c2ccccc2)C2CC2)ccc1C(=O)[O-] ZINC000262969780 962056481 /nfs/dbraw/zinc/05/64/81/962056481.db2.gz ONBTXWKKBXLDMY-QGZVFWFLSA-N -1 0 325.364 3.526 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)NC2(Cc3ccccc3)CCCC2)CC1 ZINC000262974845 962061292 /nfs/dbraw/zinc/06/12/92/962061292.db2.gz SNDITFJSCIMTBZ-QAQDUYKDSA-N -1 0 329.440 3.549 20 0 EHADRM O=C([O-])CC1(NC(=O)C[C@@H](c2ccccc2)C(F)(F)F)CCCC1 ZINC000262995231 962088251 /nfs/dbraw/zinc/08/82/51/962088251.db2.gz VTNIGXWJATVHGI-ZDUSSCGKSA-N -1 0 343.345 3.626 20 0 EHADRM CC(C)OCCCC(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000263005248 962099750 /nfs/dbraw/zinc/09/97/50/962099750.db2.gz LBBZMMGXUXBBCS-GOSISDBHSA-N -1 0 343.423 3.677 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC000263033794 962149395 /nfs/dbraw/zinc/14/93/95/962149395.db2.gz RALRHXHPGLNXAY-PUBSZHEZSA-N -1 0 329.440 3.783 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1ccc(C(F)F)cc1)c1ccc(F)cc1 ZINC001574599674 962152584 /nfs/dbraw/zinc/15/25/84/962152584.db2.gz HXTWPWDZBDMLEL-ZDUSSCGKSA-N -1 0 338.285 3.711 20 0 EHADRM CC(C)[C@H](NC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC001343024107 962152869 /nfs/dbraw/zinc/15/28/69/962152869.db2.gz XMBOJEPBZPDXPO-QAPCUYQASA-N -1 0 332.444 3.670 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000263041031 962164153 /nfs/dbraw/zinc/16/41/53/962164153.db2.gz VTQKEKJROJRTKK-NSHDSACASA-N -1 0 327.833 3.531 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cc(-c3cccc(Cl)c3)no2)CCCC1 ZINC000263040902 962164197 /nfs/dbraw/zinc/16/41/97/962164197.db2.gz ZQRACVDDSKRGIX-UHFFFAOYSA-N -1 0 348.786 3.512 20 0 EHADRM COCc1cc(NC(=O)c2c(C)cc(C)cc2C)cc(C(=O)[O-])c1 ZINC000263056617 962193034 /nfs/dbraw/zinc/19/30/34/962193034.db2.gz GUBBSOGZOUIMFQ-UHFFFAOYSA-N -1 0 327.380 3.709 20 0 EHADRM O=C([O-])CCCNC(=O)Nc1cc(Cl)ccc1OC1CCCC1 ZINC000263060584 962199280 /nfs/dbraw/zinc/19/92/80/962199280.db2.gz OMEQDOPULUHFFF-UHFFFAOYSA-N -1 0 340.807 3.648 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)C1 ZINC000263066548 962206211 /nfs/dbraw/zinc/20/62/11/962206211.db2.gz SOKZXUODWYHNGS-OPYAIIAOSA-N -1 0 337.419 3.657 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)C1 ZINC000263066554 962206691 /nfs/dbraw/zinc/20/66/91/962206691.db2.gz SOKZXUODWYHNGS-WFXMLNOXSA-N -1 0 337.419 3.657 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC000263071992 962213531 /nfs/dbraw/zinc/21/35/31/962213531.db2.gz JTQYWMPSSNPNJE-QGZVFWFLSA-N -1 0 349.427 3.598 20 0 EHADRM O=C([O-])[C@H](C(=O)NCc1ccccc1OC1CCCC1)C1CCCC1 ZINC001574616833 962227008 /nfs/dbraw/zinc/22/70/08/962227008.db2.gz JZMBZMTUHGDTTH-SFHVURJKSA-N -1 0 345.439 3.515 20 0 EHADRM CC(C)C[C@H](NC(=O)CCCCc1ccc(Cl)cc1)C(=O)[O-] ZINC001588899075 962241019 /nfs/dbraw/zinc/24/10/19/962241019.db2.gz CDNSFTXFRBXPNQ-HNNXBMFYSA-N -1 0 325.836 3.668 20 0 EHADRM O=C([O-])[C@H](NCc1cc2c(ccnc2Cl)o1)c1ccc(F)cc1 ZINC001574620705 962242111 /nfs/dbraw/zinc/24/21/11/962242111.db2.gz FWLNRZUNRLCINV-CQSZACIVSA-N -1 0 334.734 3.536 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)N2CCCC[C@@H]2CC(=O)[O-])cc1 ZINC001588906009 962272499 /nfs/dbraw/zinc/27/24/99/962272499.db2.gz FPYYEMXQLALMGF-GOSISDBHSA-N -1 0 331.456 3.674 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(-c3ccccc3)nn2)CCCCCC1 ZINC001574633660 962315824 /nfs/dbraw/zinc/31/58/24/962315824.db2.gz WIFJFRFTLTZXQD-UHFFFAOYSA-N -1 0 339.395 3.507 20 0 EHADRM CC(C)Cn1ccc2c1cccc2C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001588911773 962322430 /nfs/dbraw/zinc/32/24/30/962322430.db2.gz VTXYMHBVJQHRTE-UHFFFAOYSA-N -1 0 342.439 3.624 20 0 EHADRM CC(C)(CCNC(=O)CCCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000263177211 962330827 /nfs/dbraw/zinc/33/08/27/962330827.db2.gz ZFPTVNXWWOEZEK-UHFFFAOYSA-N -1 0 346.254 3.933 20 0 EHADRM O=C([O-])C1(C(=O)O[C@H]2COc3cc(Cl)ccc32)CCCCCC1 ZINC001574639170 962330836 /nfs/dbraw/zinc/33/08/36/962330836.db2.gz XEIHMJVGAGCAIN-AWEZNQCLSA-N -1 0 338.787 3.742 20 0 EHADRM C[C@@H](CCC(=O)N(C)c1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000263182848 962339141 /nfs/dbraw/zinc/33/91/41/962339141.db2.gz XCFCKAGICLSGIC-HNNXBMFYSA-N -1 0 341.407 3.697 20 0 EHADRM Cc1cccc(Oc2ccccc2C(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000263199531 962355289 /nfs/dbraw/zinc/35/52/89/962355289.db2.gz UWUAGECXSILQPB-HNNXBMFYSA-N -1 0 339.391 3.724 20 0 EHADRM CCCn1c(C(=O)N(CCC(=O)[O-])CC(C)C)cc2ccccc21 ZINC000263220326 962373590 /nfs/dbraw/zinc/37/35/90/962373590.db2.gz YNQDULNGWDVUCV-UHFFFAOYSA-N -1 0 330.428 3.624 20 0 EHADRM CC1(C)[C@H](c2ccccc2)CCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000263225945 962377684 /nfs/dbraw/zinc/37/76/84/962377684.db2.gz PZQSEDGEGTYBSB-ZDUSSCGKSA-N -1 0 329.421 3.855 20 0 EHADRM CCC(CC)C(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC000263235466 962382743 /nfs/dbraw/zinc/38/27/43/962382743.db2.gz SOQQJUBQBWRLCL-UHFFFAOYSA-N -1 0 332.425 3.561 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)c(OC(C)C)c1 ZINC000263244022 962388430 /nfs/dbraw/zinc/38/84/30/962388430.db2.gz FRVHVPQVIRHBSR-UHFFFAOYSA-N -1 0 343.379 3.741 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C1 ZINC000263274734 962415496 /nfs/dbraw/zinc/41/54/96/962415496.db2.gz MYZOSIBRLRPZGN-VMUDFCTBSA-N -1 0 333.403 3.626 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2cccc(Oc3ccccc3)c2)C1 ZINC000263289772 962429633 /nfs/dbraw/zinc/42/96/33/962429633.db2.gz LWOUREOEKQHDQG-JKSUJKDBSA-N -1 0 339.391 3.596 20 0 EHADRM CCOc1ccccc1-c1cccc(C(=O)N[C@H](C(=O)[O-])C(C)C)c1 ZINC000263292873 962432647 /nfs/dbraw/zinc/43/26/47/962432647.db2.gz WYMZXJGANAGZMB-SFHVURJKSA-N -1 0 341.407 3.591 20 0 EHADRM COc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2C)c(OC(C)C)c1 ZINC000263293827 962434200 /nfs/dbraw/zinc/43/42/00/962434200.db2.gz RSXOOMHCNMXMJI-UHFFFAOYSA-N -1 0 343.379 3.741 20 0 EHADRM CC[C@@H](CC(=O)N(CCC(=O)[O-])CC(C)C)c1ccc(OC)cc1 ZINC000263314558 962456431 /nfs/dbraw/zinc/45/64/31/962456431.db2.gz YNSZWPHALAUPFI-HNNXBMFYSA-N -1 0 335.444 3.538 20 0 EHADRM Cc1ccc(OCCC(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c(C)c1 ZINC000263323263 962465433 /nfs/dbraw/zinc/46/54/33/962465433.db2.gz OBXDVWSEXSKLDI-OAHLLOKOSA-N -1 0 341.407 3.899 20 0 EHADRM CC(C)OC1(CNC(=O)Nc2ccccc2C(=O)[O-])CCCCC1 ZINC001588929712 962466496 /nfs/dbraw/zinc/46/64/96/962466496.db2.gz WPVVSNJKDHQGCO-UHFFFAOYSA-N -1 0 334.416 3.634 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)c1 ZINC000263334307 962481072 /nfs/dbraw/zinc/48/10/72/962481072.db2.gz QNAZHMRYPJQDCK-LKTVYLICSA-N -1 0 345.345 3.895 20 0 EHADRM CC[C@@H](C)Oc1cc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)ccn1 ZINC000263341193 962493417 /nfs/dbraw/zinc/49/34/17/962493417.db2.gz SAMJGMRHPULSJX-OLZOCXBDSA-N -1 0 342.395 3.699 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)c1 ZINC000263359082 962515637 /nfs/dbraw/zinc/51/56/37/962515637.db2.gz XVKBDUYLXWCYFA-ZLKJLUDKSA-N -1 0 345.345 3.895 20 0 EHADRM COc1ccc2sc(C(=O)N3CCC[C@](C)(C(=O)[O-])C3)c(C)c2c1 ZINC000263365347 962523727 /nfs/dbraw/zinc/52/37/27/962523727.db2.gz ZQIWQYKACKXDCZ-SFHVURJKSA-N -1 0 347.436 3.545 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)CC1CC(c3ccccc3)C1)CC2 ZINC000263369880 962528181 /nfs/dbraw/zinc/52/81/81/962528181.db2.gz XQXYYJZOGJQJBE-UHFFFAOYSA-N -1 0 349.430 3.853 20 0 EHADRM Cn1c(C(=O)[O-])ccc1[C@H]1CCCCN1C(=O)/C=C\C1CCCC1 ZINC001349995984 962529440 /nfs/dbraw/zinc/52/94/40/962529440.db2.gz GHODGQXOTXTJSH-HMWXGYMHSA-N -1 0 330.428 3.523 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)NC1(c2ccc(F)cc2)CCCC1 ZINC000263397303 962558894 /nfs/dbraw/zinc/55/88/94/962558894.db2.gz FSGBWDRUSRGGFL-UHFFFAOYSA-N -1 0 345.370 3.554 20 0 EHADRM Cc1c(CSC(C)C)cccc1NC(=O)c1cc(C(=O)[O-])ccn1 ZINC000263435533 962613091 /nfs/dbraw/zinc/61/30/91/962613091.db2.gz VCQACAGNPIAVRL-UHFFFAOYSA-N -1 0 344.436 3.982 20 0 EHADRM CC(C)c1c(NC(=O)C2(CC(=O)[O-])CCC2)cnn1-c1ccccc1 ZINC001588963769 962641251 /nfs/dbraw/zinc/64/12/51/962641251.db2.gz VSQUTBVLCNUWGA-UHFFFAOYSA-N -1 0 341.411 3.579 20 0 EHADRM O=C([O-])CCc1cccc(NCc2cnc([C@@H]3CCCO3)s2)c1 ZINC000263454837 962642120 /nfs/dbraw/zinc/64/21/20/962642120.db2.gz ANUHRFFVJLKTDO-HNNXBMFYSA-N -1 0 332.425 3.624 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000263455207 962643345 /nfs/dbraw/zinc/64/33/45/962643345.db2.gz UIYVEKJLMLHZAK-GJZGRUSLSA-N -1 0 341.407 3.542 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000263455206 962643954 /nfs/dbraw/zinc/64/39/54/962643954.db2.gz UIYVEKJLMLHZAK-CABCVRRESA-N -1 0 341.407 3.542 20 0 EHADRM O=C([O-])CCCC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1 ZINC001574693219 962657327 /nfs/dbraw/zinc/65/73/27/962657327.db2.gz CHSQIFQFXFBQIR-UHFFFAOYSA-N -1 0 343.345 3.666 20 0 EHADRM CC(C)c1ccc2occ(C(=O)N3CC[C@H](C)[C@@H](C(=O)[O-])C3)c2c1 ZINC001588969390 962663227 /nfs/dbraw/zinc/66/32/27/962663227.db2.gz BWCXJFSOOJESPI-WFASDCNBSA-N -1 0 329.396 3.739 20 0 EHADRM Cc1ccccc1NC(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263480777 962667138 /nfs/dbraw/zinc/66/71/38/962667138.db2.gz KVDSQFKHYXFLFV-MRXNPFEDSA-N -1 0 326.396 3.593 20 0 EHADRM COc1cc2c(c(CNc3cccc(CCC(=O)[O-])c3)c1)O[C@H](C)C2 ZINC000263484190 962669067 /nfs/dbraw/zinc/66/90/67/962669067.db2.gz GYIOEFZRWUOONQ-CYBMUJFWSA-N -1 0 341.407 3.648 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)Nc2cncc(C(F)F)c2)c1 ZINC001574709435 962697347 /nfs/dbraw/zinc/69/73/47/962697347.db2.gz GCLKXKPOGSSAOH-UHFFFAOYSA-N -1 0 335.310 3.680 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000263518638 962700376 /nfs/dbraw/zinc/70/03/76/962700376.db2.gz FYOIWLISKVLDPL-OTWHNJEPSA-N -1 0 335.403 3.793 20 0 EHADRM CC(C)c1ccoc1C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000263521799 962703035 /nfs/dbraw/zinc/70/30/35/962703035.db2.gz HPTULPZRBAQIPS-UHFFFAOYSA-N -1 0 337.759 3.772 20 0 EHADRM CN(CCC(F)(F)F)Cc1cc(C(=O)[O-])ccc1Br ZINC001356070479 962733595 /nfs/dbraw/zinc/73/35/95/962733595.db2.gz PPQOKUKPWUVNKP-UHFFFAOYSA-N -1 0 340.139 3.532 20 0 EHADRM COCc1cc(N[C@@H](CCC(C)(C)C)C(=O)[O-])nc(C(C)(C)C)n1 ZINC001574169111 962742925 /nfs/dbraw/zinc/74/29/25/962742925.db2.gz OIJAQXANBBBQQS-ZDUSSCGKSA-N -1 0 337.464 3.612 20 0 EHADRM Cc1oc2ccccc2c1CNC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001356631551 962749800 /nfs/dbraw/zinc/74/98/00/962749800.db2.gz FUUQMXAAOQLYHA-CQSZACIVSA-N -1 0 344.411 3.528 20 0 EHADRM C[C@@H](CC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1)n1cccc1 ZINC001588989330 962797440 /nfs/dbraw/zinc/79/74/40/962797440.db2.gz GHYMZRHNUNRLHJ-HNNXBMFYSA-N -1 0 340.423 3.544 20 0 EHADRM COc1ccc(S[C@H](C)C(=O)Nc2sccc2C(=O)[O-])cc1 ZINC001574222942 962965498 /nfs/dbraw/zinc/96/54/98/962965498.db2.gz NKYLBURMUMMYBR-SECBINFHSA-N -1 0 337.422 3.574 20 0 EHADRM CCCC[C@@H](C)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000302481410 963088467 /nfs/dbraw/zinc/08/84/67/963088467.db2.gz YTGAWBNOYNEWQR-SECBINFHSA-N -1 0 328.206 3.912 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccn2Cc2ccccc2)s1 ZINC000309545598 963355252 /nfs/dbraw/zinc/35/52/52/963355252.db2.gz OZDCASHPAUGQLG-UHFFFAOYSA-N -1 0 326.377 3.548 20 0 EHADRM O=C([O-])c1ccnc(Oc2cc(F)c(Br)cc2Cl)n1 ZINC000311622053 963497057 /nfs/dbraw/zinc/49/70/57/963497057.db2.gz ISZPAOVKWFXJBZ-UHFFFAOYSA-N -1 0 347.527 3.522 20 0 EHADRM Nc1cc(Br)c(S[C@H](C(=O)[O-])C2CC2)cc1Cl ZINC000312762296 963591780 /nfs/dbraw/zinc/59/17/80/963591780.db2.gz GBMHZVYFILZQIF-JTQLQIEISA-N -1 0 336.638 3.640 20 0 EHADRM C[C@H](NCc1ncc(C(=O)[O-])s1)c1ccc(Cl)c(Cl)c1 ZINC000312793000 963594425 /nfs/dbraw/zinc/59/44/25/963594425.db2.gz QLZMFFCDICODRD-ZETCQYMHSA-N -1 0 331.224 3.999 20 0 EHADRM O=C([O-])/C=C/c1ccc(OCCSC2(CO)CCCCC2)cc1 ZINC000312989787 963610891 /nfs/dbraw/zinc/61/08/91/963610891.db2.gz WLKRGKOUCLMUSE-RMKNXTFCSA-N -1 0 336.453 3.592 20 0 EHADRM O=C([O-])c1ccc(SCC(=O)Nc2ccc(F)cc2Cl)cc1 ZINC000314195071 963724125 /nfs/dbraw/zinc/72/41/25/963724125.db2.gz ZRSFUOANHSPDDC-UHFFFAOYSA-N -1 0 339.775 3.908 20 0 EHADRM CSc1ccc(Cl)c(C(=O)Nc2ccc(C(=O)[O-])c(O)c2)c1 ZINC000314217303 963725935 /nfs/dbraw/zinc/72/59/35/963725935.db2.gz LSBZKUCGIBVKEE-UHFFFAOYSA-N -1 0 337.784 3.718 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)/C=C\c1ccc(Cl)s1 ZINC000314996087 963840076 /nfs/dbraw/zinc/84/00/76/963840076.db2.gz CUFIBRDHCNXQME-CLFYSBASSA-N -1 0 335.812 3.772 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)Nc2cccc(Cl)c2F)C1 ZINC000315178340 963863912 /nfs/dbraw/zinc/86/39/12/963863912.db2.gz NTLHZNDLCZLMKM-JTQLQIEISA-N -1 0 328.771 3.588 20 0 EHADRM O=C([O-])CC1(NC(=O)CSc2ccccc2Cl)CCCCC1 ZINC000315320467 963880099 /nfs/dbraw/zinc/88/00/99/963880099.db2.gz UKGBGXWNUSSNJR-UHFFFAOYSA-N -1 0 341.860 3.726 20 0 EHADRM C[C@H](NCc1ccsc1Br)c1ncc(C(=O)[O-])s1 ZINC000315431944 963900196 /nfs/dbraw/zinc/90/01/96/963900196.db2.gz WEUAAPBIFKQWJC-LURJTMIESA-N -1 0 347.259 3.516 20 0 EHADRM Cc1cc(C(=O)[O-])c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)s1 ZINC000315473447 963905414 /nfs/dbraw/zinc/90/54/14/963905414.db2.gz AFJRUWAURNSCII-VIFPVBQESA-N -1 0 339.800 3.814 20 0 EHADRM Cc1csc2nc(C)c(CNc3ccc(Cl)c(C(=O)[O-])c3)n12 ZINC000315569690 963915463 /nfs/dbraw/zinc/91/54/63/963915463.db2.gz ZHXZYELNFGAPIH-UHFFFAOYSA-N -1 0 335.816 3.976 20 0 EHADRM O=C([O-])CC1(NC(=O)CSc2ccc(Cl)cc2)CCCCC1 ZINC000315838821 963940924 /nfs/dbraw/zinc/94/09/24/963940924.db2.gz KQZQIXQPDBTSMD-UHFFFAOYSA-N -1 0 341.860 3.726 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cccn1C1CCCC1 ZINC000455914806 1032073773 /nfs/dbraw/zinc/07/37/73/1032073773.db2.gz YGQXMDBAXVCDAK-OAHLLOKOSA-N -1 0 340.423 3.719 20 0 EHADRM Cc1cc(Cl)c(NC(=O)NCC2(C(=O)[O-])CCC2)cc1Cl ZINC000128399714 967623936 /nfs/dbraw/zinc/62/39/36/967623936.db2.gz QNQXODRUNPOQGJ-UHFFFAOYSA-N -1 0 331.199 3.678 20 0 EHADRM CCc1ccc(C(C)(C)C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000192912690 967682994 /nfs/dbraw/zinc/68/29/94/967682994.db2.gz FDVVBVRESSETFF-INIZCTEOSA-N -1 0 331.456 3.630 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)Cc1cc2c(ccc3ccccc23)o1)C1CC1 ZINC000262819138 967828370 /nfs/dbraw/zinc/82/83/70/967828370.db2.gz VSLNWKSNLXSBTC-GFCCVEGCSA-N -1 0 337.375 3.593 20 0 EHADRM Cc1cccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1Cl ZINC000262858895 967830000 /nfs/dbraw/zinc/83/00/00/967830000.db2.gz IORORRBVCACOOV-JKSUJKDBSA-N -1 0 343.810 3.589 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc(-c3ccco3)cc2F)C1 ZINC000263034955 967839563 /nfs/dbraw/zinc/83/95/63/967839563.db2.gz BQVKUBFOCZLYBU-YPMHNXCESA-N -1 0 346.358 3.660 20 0 EHADRM O=C([O-])CCCCC(=O)N[C@H](c1ccccc1)c1cccc(F)c1 ZINC000263337237 967875247 /nfs/dbraw/zinc/87/52/47/967875247.db2.gz WPGCNSBXKPVUPQ-LJQANCHMSA-N -1 0 329.371 3.676 20 0 EHADRM COc1ccc(CCCCCC(=O)N2CCC(C)(C(=O)[O-])CC2)cc1 ZINC000364171375 968055912 /nfs/dbraw/zinc/05/59/12/968055912.db2.gz OPNMDVAJTAVGMZ-UHFFFAOYSA-N -1 0 347.455 3.511 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)Nc1cc(Cl)c(F)c(Cl)c1)C1CC1 ZINC000383410603 968113679 /nfs/dbraw/zinc/11/36/79/968113679.db2.gz VDALQVYXTXPZEP-ZCFIWIBFSA-N -1 0 335.162 3.602 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Nc1ccc(OC(F)F)cc1 ZINC000392026077 968195262 /nfs/dbraw/zinc/19/52/62/968195262.db2.gz DMHGPIKIIYWUQK-LBPRGKRZSA-N -1 0 342.342 3.539 20 0 EHADRM CC(C)(CCNC(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1)C(=O)[O-] ZINC000424449838 968368621 /nfs/dbraw/zinc/36/86/21/968368621.db2.gz MJJXRIZNFWEUON-HZPDHXFCSA-N -1 0 332.444 3.513 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1C(=O)CCCn1ccc2cc(Cl)ccc21 ZINC000431174179 968371965 /nfs/dbraw/zinc/37/19/65/968371965.db2.gz ZVAPUZZEPJRHRH-INIZCTEOSA-N -1 0 348.830 3.541 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cc3cccc(Cl)c3s2)C1 ZINC000566973835 968431202 /nfs/dbraw/zinc/43/12/02/968431202.db2.gz IHDYMIKAPSVLGS-GXSJLCMTSA-N -1 0 337.828 3.738 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccccc2OC2CCCCC2)C[C@H]1C(=O)[O-] ZINC000567879373 968436140 /nfs/dbraw/zinc/43/61/40/968436140.db2.gz SCULIXKSNDUWEP-WMLDXEAASA-N -1 0 345.439 3.581 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)CC1 ZINC000568320591 968438211 /nfs/dbraw/zinc/43/82/11/968438211.db2.gz DONGICWMHLWQRX-JXXFODFXSA-N -1 0 331.456 3.608 20 0 EHADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1cc2cc(C(F)(F)F)ccc2s1 ZINC000568285914 968438258 /nfs/dbraw/zinc/43/82/58/968438258.db2.gz MOUGTSGTJHJKIR-WAAGHKOSSA-N -1 0 343.326 3.513 20 0 EHADRM C[C@H](c1nc2ccccc2n1C(F)F)N1CCC(C)(C(=O)[O-])CC1 ZINC000647375633 968572691 /nfs/dbraw/zinc/57/26/91/968572691.db2.gz BHIKRWNWZVWUQZ-LLVKDONJSA-N -1 0 337.370 3.679 20 0 EHADRM C[C@H](C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)c1c(Cl)cccc1Cl ZINC000647755629 968582033 /nfs/dbraw/zinc/58/20/33/968582033.db2.gz VXCIYQFVEGFFEV-DCAQKATOSA-N -1 0 344.238 3.666 20 0 EHADRM CC(C)Oc1ccccc1C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000653334800 968665896 /nfs/dbraw/zinc/66/58/96/968665896.db2.gz HRESAQIXQUUIKK-DLBZAZTESA-N -1 0 339.391 3.517 20 0 EHADRM CC(C)[C@H](CNC(=O)Nc1cc(Cl)c(Cl)cc1F)C(=O)[O-] ZINC000653545215 968676705 /nfs/dbraw/zinc/67/67/05/968676705.db2.gz WUCZZUMCROGFPA-ZETCQYMHSA-N -1 0 337.178 3.611 20 0 EHADRM CC(C)[C@@H](CNC(=O)Cc1cc2c(ccc3ccccc23)o1)C(=O)[O-] ZINC000655564148 968681050 /nfs/dbraw/zinc/68/10/50/968681050.db2.gz KGJPWBODOMGLTA-QGZVFWFLSA-N -1 0 339.391 3.602 20 0 EHADRM Cc1ccccc1C(C)(C)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655586073 968689370 /nfs/dbraw/zinc/68/93/70/968689370.db2.gz LDGYVQAXVVVSDG-CWRNSKLLSA-N -1 0 331.456 3.524 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cccc(F)c1SC)C(=O)[O-] ZINC000656604546 968718668 /nfs/dbraw/zinc/71/86/68/968718668.db2.gz HNVNXQIHGSBTPA-UHFFFAOYSA-N -1 0 328.409 3.560 20 0 EHADRM CCOc1cccc2cc([C@H](C)NC(=O)[C@@]3(C(=O)[O-])CC3(C)C)oc21 ZINC000663093463 968799084 /nfs/dbraw/zinc/79/90/84/968799084.db2.gz BAEZQSKZNGAGAF-JEOXALJRSA-N -1 0 345.395 3.510 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)CCCC(=O)[O-])cn2)cc1C ZINC000843327553 969236670 /nfs/dbraw/zinc/23/66/70/969236670.db2.gz WFNCTUYGMKTTMK-UHFFFAOYSA-N -1 0 328.368 3.684 20 0 EHADRM CSc1ccc(/C=C\C(=O)N2CCC[C@H](CCC(=O)[O-])C2)s1 ZINC000901575025 969441211 /nfs/dbraw/zinc/44/12/11/969441211.db2.gz KLIOVVUBJFEUHN-SMYYYNMVSA-N -1 0 339.482 3.587 20 0 EHADRM CCCN(CCc1cccs1)C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC000901629063 969453616 /nfs/dbraw/zinc/45/36/16/969453616.db2.gz UXCOZHRXJAHZIV-WAYWQWQTSA-N -1 0 333.409 3.534 20 0 EHADRM Cc1cc(N2CCCC2)ccc1NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC000901718088 969467100 /nfs/dbraw/zinc/46/71/00/969467100.db2.gz ODQONPUDUHHOOL-FNORWQNLSA-N -1 0 340.379 3.538 20 0 EHADRM CC(C)n1ccc(CN2C[C@H](CCC(=O)[O-])Cc3ccccc32)n1 ZINC000903415987 969578984 /nfs/dbraw/zinc/57/89/84/969578984.db2.gz NRDWASGFFSPFSM-OAHLLOKOSA-N -1 0 327.428 3.508 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)C2(Cc3cccs3)CCCCC2)C1 ZINC000909304328 969622259 /nfs/dbraw/zinc/62/22/59/969622259.db2.gz RJDDHNCIEQNGOU-KRWDZBQOSA-N -1 0 335.469 3.564 20 0 EHADRM CC(C)N(CC1CCC1)C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001121845083 969680259 /nfs/dbraw/zinc/68/02/59/969680259.db2.gz WHJWIMJBLLMGNA-IAGOWNOFSA-N -1 0 330.428 3.520 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc3c(nc(C)cc3C)s2)C1 ZINC001341856767 969754962 /nfs/dbraw/zinc/75/49/62/969754962.db2.gz FGXSREZYWGYDQI-SFHVURJKSA-N -1 0 346.452 3.630 20 0 EHADRM O=C(/C=C/c1ccco1)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC000064510685 970307783 /nfs/dbraw/zinc/30/77/83/970307783.db2.gz NZWUPYZWSCDIAB-VQHVLOKHSA-N -1 0 340.379 3.620 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2ccc(Cl)c(F)c2)CCCCC1 ZINC000318252306 970420691 /nfs/dbraw/zinc/42/06/91/970420691.db2.gz BIMCVPFRRVSJTA-UHFFFAOYSA-N -1 0 327.783 3.634 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)c1c(F)cccc1Cl ZINC000319107647 970504546 /nfs/dbraw/zinc/50/45/46/970504546.db2.gz GFPWYWHSJFUMPP-ZDUSSCGKSA-N -1 0 327.783 3.633 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)N[C@H]2CCCc3sccc32)c1 ZINC000320223683 970632944 /nfs/dbraw/zinc/63/29/44/970632944.db2.gz ZRGMSYPRXLJBLS-LBPRGKRZSA-N -1 0 334.372 3.785 20 0 EHADRM Cc1cc(NC(=O)Cc2ccc3c(c2)CCCC3)sc1C(=O)[O-] ZINC000320380674 970656948 /nfs/dbraw/zinc/65/69/48/970656948.db2.gz VOSUHCJJINFHRD-UHFFFAOYSA-N -1 0 329.421 3.815 20 0 EHADRM CCCC[C@H](CCC)NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000320438980 970665096 /nfs/dbraw/zinc/66/50/96/970665096.db2.gz ZRIONZGFIKBDIO-LBPRGKRZSA-N -1 0 347.864 3.675 20 0 EHADRM Cc1oc(COc2cc(C)c([N+](=O)[O-])cc2Cl)cc1C(=O)[O-] ZINC000320729460 970707124 /nfs/dbraw/zinc/70/71/24/970707124.db2.gz WZVPUSCHBHVUNX-UHFFFAOYSA-N -1 0 325.704 3.735 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc(F)ccc2Cl)c(F)cc1F ZINC000320824889 970720383 /nfs/dbraw/zinc/72/03/83/970720383.db2.gz FOJWDAIGOCFYTB-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)s1 ZINC000320856442 970722870 /nfs/dbraw/zinc/72/28/70/970722870.db2.gz PTURCRUSMKULKC-QMMMGPOBSA-N -1 0 340.351 3.916 20 0 EHADRM Cc1oc(CNC(=O)c2cc3c(cccc3F)s2)cc1C(=O)[O-] ZINC000321123111 970746054 /nfs/dbraw/zinc/74/60/54/970746054.db2.gz DCJHAKTYJJWFMP-UHFFFAOYSA-N -1 0 333.340 3.570 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001604962818 972545995 /nfs/dbraw/zinc/54/59/95/972545995.db2.gz CJTYGBGSOVNZIN-GXSJLCMTSA-N -1 0 342.848 3.636 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC001604962821 972547615 /nfs/dbraw/zinc/54/76/15/972547615.db2.gz CJTYGBGSOVNZIN-ONGXEEELSA-N -1 0 342.848 3.636 20 0 EHADRM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ncccc2C(C)C)cc1 ZINC000538008241 1032078808 /nfs/dbraw/zinc/07/88/08/1032078808.db2.gz GGUKSRQTIHUOKY-UHFFFAOYSA-N -1 0 334.441 3.793 20 0 EHADRM C[C@@H](NC(=O)[C@@]1(C(=O)[O-])CC1(C)C)c1cc(Cl)ccc1Cl ZINC001604982918 972575174 /nfs/dbraw/zinc/57/51/74/972575174.db2.gz IQVKEXRVPKRRAA-ANRSDYALSA-N -1 0 330.211 3.672 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)c1csc(C2CCCCC2)n1 ZINC001604999004 972595428 /nfs/dbraw/zinc/59/54/28/972595428.db2.gz BKRZZQVMMQHQCA-BXUZGUMPSA-N -1 0 336.457 3.659 20 0 EHADRM O=C([O-])c1cc(NC(=O)Nc2cc(C3CCCCCC3)[nH]n2)ccn1 ZINC001605869040 972635267 /nfs/dbraw/zinc/63/52/67/972635267.db2.gz UFBWIISBAUAKGY-UHFFFAOYSA-N -1 0 343.387 3.585 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Oc1ccc(Br)cc1Cl ZINC001603323610 972659390 /nfs/dbraw/zinc/65/93/90/972659390.db2.gz DOWKHPNTTOFWCI-ZDUSSCGKSA-N -1 0 347.592 3.509 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1ccc2c(Cl)cccc2n1)C1CCCC1 ZINC001605900428 972721159 /nfs/dbraw/zinc/72/11/59/972721159.db2.gz AGGFTFZRJQYMJO-HNNXBMFYSA-N -1 0 332.787 3.718 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1ccc(Nc2ccccc2)nc1)C1CCCC1 ZINC001605900487 972722858 /nfs/dbraw/zinc/72/28/58/972722858.db2.gz CMCFRZLXVXSWJM-QGZVFWFLSA-N -1 0 339.395 3.655 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1ccc(-c2cccc(F)c2)c(F)c1)C1CC1 ZINC001605901733 972738946 /nfs/dbraw/zinc/73/89/46/972738946.db2.gz XSBALQSNUMHNFX-MRXNPFEDSA-N -1 0 331.318 3.681 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N(C)Cc2nc3ccccc3s2)c1 ZINC001605131677 972792997 /nfs/dbraw/zinc/79/29/97/972792997.db2.gz TXTABDDCQQLNPA-UHFFFAOYSA-N -1 0 340.404 3.575 20 0 EHADRM Cc1cc(C)c(/C=C/C(=O)Nc2nc3ccccn3c2C(=O)[O-])cc1C ZINC001605146297 972828973 /nfs/dbraw/zinc/82/89/73/972828973.db2.gz DWIXXZXJEJGUNV-BQYQJAHWSA-N -1 0 349.390 3.610 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000396433391 972884806 /nfs/dbraw/zinc/88/48/06/972884806.db2.gz JQXMEQIDKURQRU-JQWIXIFHSA-N -1 0 344.333 3.681 20 0 EHADRM C[C@H]1C[C@H](CNC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)C[C@@H](C)C1 ZINC001603375639 972924167 /nfs/dbraw/zinc/92/41/67/972924167.db2.gz DWHZCFURBXFHJU-AJRPESIASA-N -1 0 344.455 3.671 20 0 EHADRM Cc1cccc(CN(C)C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c1 ZINC000396634694 972926255 /nfs/dbraw/zinc/92/62/55/972926255.db2.gz ODDDGEWJPNRHEJ-CQSZACIVSA-N -1 0 326.396 3.847 20 0 EHADRM Cc1cc(NC(=O)Nc2cnn([C@H](C)C3CC3)c2)ccc1C(=O)[O-] ZINC001605207464 972951254 /nfs/dbraw/zinc/95/12/54/972951254.db2.gz ZEGZOFCSAWEPSB-LLVKDONJSA-N -1 0 328.372 3.505 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001603383209 972977396 /nfs/dbraw/zinc/97/73/96/972977396.db2.gz QKKFPYIDXBWESK-VGVSJJQXSA-N -1 0 342.439 3.662 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1cccc(COC(C)(C)C)c1 ZINC001603388472 972990442 /nfs/dbraw/zinc/99/04/42/972990442.db2.gz JLGSKBPBJIZCIK-UKRRQHHQSA-N -1 0 348.443 3.719 20 0 EHADRM Cc1ccc(C(C)(C)CNC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC001605256331 973025341 /nfs/dbraw/zinc/02/53/41/973025341.db2.gz RYWLKKNTLLURKE-QGZVFWFLSA-N -1 0 346.471 3.702 20 0 EHADRM C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)N(C)CCC(=O)[O-])c2)C1 ZINC001603399927 973051229 /nfs/dbraw/zinc/05/12/29/973051229.db2.gz QTRANZOVFCTNLB-PBHICJAKSA-N -1 0 348.443 3.720 20 0 EHADRM Cc1cccc(C(=O)NCc2ccccc2C(=O)[O-])c1C(F)(F)F ZINC001605320676 973157451 /nfs/dbraw/zinc/15/74/51/973157451.db2.gz YFHNFRYZAJIDTE-UHFFFAOYSA-N -1 0 337.297 3.642 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2ccsc2C(F)(F)F)C(=O)[O-])c1 ZINC001605327553 973168597 /nfs/dbraw/zinc/16/85/97/973168597.db2.gz DLABKXZRBPBTNH-NSHDSACASA-N -1 0 343.326 3.631 20 0 EHADRM Cc1cccc(CN(C)C(=O)NC[C@H](CC(=O)[O-])CC(C)C)c1C ZINC001605335186 973215194 /nfs/dbraw/zinc/21/51/94/973215194.db2.gz DEOVVZKGFVCIAX-INIZCTEOSA-N -1 0 334.460 3.582 20 0 EHADRM Cc1cccc(Cl)c1CC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001605339351 973225148 /nfs/dbraw/zinc/22/51/48/973225148.db2.gz GJNLMKJPORISQK-RDJZCZTQSA-N -1 0 343.810 3.620 20 0 EHADRM Cc1ccccc1C(C)(C)CNC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001605350989 973254124 /nfs/dbraw/zinc/25/41/24/973254124.db2.gz JMMCZLXNOVVZIU-INIZCTEOSA-N -1 0 346.471 3.702 20 0 EHADRM Cc1cnc(F)c(C(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)c1 ZINC001605374246 973323289 /nfs/dbraw/zinc/32/32/89/973323289.db2.gz YCMSZICEKSKPHI-QMMMGPOBSA-N -1 0 348.399 3.666 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)N[C@@H](C(F)F)C1CCCCC1 ZINC001606117648 973351227 /nfs/dbraw/zinc/35/12/27/973351227.db2.gz XZELBKOVAPGQHC-UKRRQHHQSA-N -1 0 346.418 3.629 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC001606123248 973365288 /nfs/dbraw/zinc/36/52/88/973365288.db2.gz WQMXROMRECUESO-MWDXBVQZSA-N -1 0 336.476 3.632 20 0 EHADRM O=C([O-])CCCCCNC(=O)N(Cc1ccccc1F)C1CCC1 ZINC001606147538 973406183 /nfs/dbraw/zinc/40/61/83/973406183.db2.gz NDLNCVUIAZILFA-UHFFFAOYSA-N -1 0 336.407 3.535 20 0 EHADRM CCC(=O)c1ccc(NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001603486356 973410626 /nfs/dbraw/zinc/41/06/26/973410626.db2.gz PETFKLPQHJAJQZ-AWEZNQCLSA-N -1 0 334.416 3.680 20 0 EHADRM Cc1nc2cccc(Cl)c2cc1C(=O)Nc1cccnc1C(=O)[O-] ZINC001605415970 973420986 /nfs/dbraw/zinc/42/09/86/973420986.db2.gz ATKJMRYVOLFCOX-UHFFFAOYSA-N -1 0 341.754 3.542 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2sccc2Br)c1C ZINC000042350437 1026081974 /nfs/dbraw/zinc/08/19/74/1026081974.db2.gz SYLQYWQCZFOFLW-UHFFFAOYSA-N -1 0 346.271 3.928 20 0 EHADRM O=C([O-])CN(C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)C1CCC1 ZINC001606216201 973468839 /nfs/dbraw/zinc/46/88/39/973468839.db2.gz OAGKWXYYBJHRLU-ZIAGYGMSSA-N -1 0 342.222 3.563 20 0 EHADRM CCC(CC)(CNC(=O)N[C@@H]1CCCc2c(C)cccc21)C(=O)[O-] ZINC001603535200 973586755 /nfs/dbraw/zinc/58/67/55/973586755.db2.gz HXYBNYHMQADKPQ-MRXNPFEDSA-N -1 0 332.444 3.563 20 0 EHADRM CC[C@@H](CNC(=O)[C@H](CC(C)C)c1ccc(Cl)cc1)C(=O)[O-] ZINC001603550984 973624418 /nfs/dbraw/zinc/62/44/18/973624418.db2.gz XUYRSIJQFSKENK-SWLSCSKDSA-N -1 0 325.836 3.697 20 0 EHADRM CC[C@@H](CNC(=O)N1CCc2c1cccc2-c1ccccc1)C(=O)[O-] ZINC001603558883 973653144 /nfs/dbraw/zinc/65/31/44/973653144.db2.gz DQGCWMHUQSJIEB-AWEZNQCLSA-N -1 0 338.407 3.537 20 0 EHADRM N#Cc1ccc(NC(=O)NCCCCCCCC(=O)[O-])c(Cl)c1 ZINC000403080599 973660243 /nfs/dbraw/zinc/66/02/43/973660243.db2.gz NZFREGXMGMJUQF-UHFFFAOYSA-N -1 0 337.807 3.758 20 0 EHADRM CC[C@H](CNC(=O)c1ccccc1Oc1cccc(C)c1)C(=O)[O-] ZINC001603567925 973699442 /nfs/dbraw/zinc/69/94/42/973699442.db2.gz NECWBKQXSUACKK-CQSZACIVSA-N -1 0 327.380 3.628 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N2CCCCC[C@@H]2C(F)(F)F)c1 ZINC001606311397 973723924 /nfs/dbraw/zinc/72/39/24/973723924.db2.gz SBIGROQVWRUAJI-CYBMUJFWSA-N -1 0 344.333 3.653 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc3c(c2)CCCCC3)CC[C@H]1C(=O)[O-] ZINC000404700753 973743277 /nfs/dbraw/zinc/74/32/77/973743277.db2.gz NHXDYPCHJWHPEZ-SUMWQHHRSA-N -1 0 330.428 3.530 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cscc2Br)ccc1F ZINC000404939161 973757448 /nfs/dbraw/zinc/75/74/48/973757448.db2.gz LDLQTMXVDRAQHB-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001603593392 973802919 /nfs/dbraw/zinc/80/29/19/973802919.db2.gz CXDOIUGXMAVEAU-GJZGRUSLSA-N -1 0 335.444 3.548 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)NCCCCCc2ccccc2)C1 ZINC001603599921 973828220 /nfs/dbraw/zinc/82/82/20/973828220.db2.gz BWBSJPMKYKSPBF-FQEVSTJZSA-N -1 0 346.471 3.686 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](Nc2nc(-c3cc(Cl)cc(Cl)c3)no2)C1 ZINC001606401354 973855812 /nfs/dbraw/zinc/85/58/12/973855812.db2.gz IEBRCBALNKRAPK-HQJQHLMTSA-N -1 0 342.182 3.709 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)NCc2csc3ccccc23)C1 ZINC001603601735 973858999 /nfs/dbraw/zinc/85/89/99/973858999.db2.gz YGKHFIROOAFXGU-SFHVURJKSA-N -1 0 346.452 3.688 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)Nc2ccc3cc[nH]c3c2)C[C@H]1c1ccccc1 ZINC001606427455 973873809 /nfs/dbraw/zinc/87/38/09/973873809.db2.gz LUVHLLZYYWFLBH-DLBZAZTESA-N -1 0 349.390 3.500 20 0 EHADRM CCC1(CC)Oc2ccc(NC(=O)[C@]3(C(=O)[O-])CC=CCC3)cc2O1 ZINC001603611691 973890204 /nfs/dbraw/zinc/89/02/04/973890204.db2.gz MDBMUQDMGRLJEW-SFHVURJKSA-N -1 0 345.395 3.724 20 0 EHADRM CCC1(NC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)CCCCC1 ZINC001603616829 973895033 /nfs/dbraw/zinc/89/50/33/973895033.db2.gz ARBZFCNWWPSWLV-HOTGVXAUSA-N -1 0 330.428 3.712 20 0 EHADRM COc1cc(NC(=O)Nc2ccccc2CC(=O)[O-])c(C)cc1C ZINC001604731656 973933302 /nfs/dbraw/zinc/93/33/02/973933302.db2.gz JRUGMONSQDBBHH-UHFFFAOYSA-N -1 0 328.368 3.583 20 0 EHADRM CC[C@](CNC(=O)[C@H](C)c1cccc(C)c1)(C(=O)[O-])c1ccccc1 ZINC000414445117 973938449 /nfs/dbraw/zinc/93/84/49/973938449.db2.gz VXJCMAXNOPVZOB-IIBYNOLFSA-N -1 0 339.435 3.647 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)C[C@@H]2CCOc3ccccc32)c1 ZINC000414459478 973941291 /nfs/dbraw/zinc/94/12/91/973941291.db2.gz XINSMXLCSLOOOV-ZFWWWQNUSA-N -1 0 339.391 3.770 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)NCCCCCC(=O)[O-])cc1 ZINC000414614813 973942502 /nfs/dbraw/zinc/94/25/02/973942502.db2.gz OYZWKNOUJKFRBG-ZDUSSCGKSA-N -1 0 338.473 3.804 20 0 EHADRM CN(Cc1cccc(Cl)c1Cl)C(=O)NCCCCCC(=O)[O-] ZINC000414631723 973944272 /nfs/dbraw/zinc/94/42/72/973944272.db2.gz WPMMHQMUNGUICB-UHFFFAOYSA-N -1 0 347.242 3.780 20 0 EHADRM CCC[C@H](CCc1ccccc1)NC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001603633523 973961987 /nfs/dbraw/zinc/96/19/87/973961987.db2.gz FLJNDKKPIGGKPC-MRXNPFEDSA-N -1 0 341.411 3.703 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cc(-c3ccccc3F)on2)cc1 ZINC001606494941 973978583 /nfs/dbraw/zinc/97/85/83/973978583.db2.gz IHHPTACPFFCBFB-UHFFFAOYSA-N -1 0 341.294 3.536 20 0 EHADRM CCCCN(CC)c1ccc(C(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])cc1 ZINC001603647350 974003683 /nfs/dbraw/zinc/00/36/83/974003683.db2.gz HSEZMKGOHVRQQA-YJBOKZPZSA-N -1 0 346.471 3.638 20 0 EHADRM CCc1ccc(C2=CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC2)cc1 ZINC000424403214 974029179 /nfs/dbraw/zinc/02/91/79/974029179.db2.gz IZZZGTQJAOZFFH-UHFFFAOYSA-N -1 0 344.455 3.549 20 0 EHADRM CC(C)(CCNC(=O)N1CCC[C@](C)(c2ccccc2)CC1)C(=O)[O-] ZINC000424407226 974029476 /nfs/dbraw/zinc/02/94/76/974029476.db2.gz SCGKGGSVKXEQFA-FQEVSTJZSA-N -1 0 346.471 3.641 20 0 EHADRM CCC(CC)(CNC(=O)N[C@@H](C)c1ccc2ncsc2c1)C(=O)[O-] ZINC000424448598 974037077 /nfs/dbraw/zinc/03/70/77/974037077.db2.gz JXFQBECDEOPVIY-NSHDSACASA-N -1 0 349.456 3.548 20 0 EHADRM CC[C@H](NC(=O)c1s[n-]c(=O)c1Cl)c1ccc(F)cc1F ZINC000339285676 1014160493 /nfs/dbraw/zinc/16/04/93/1014160493.db2.gz WJSDHOOIWONPSO-VIFPVBQESA-N -1 0 332.759 3.661 20 0 EHADRM COc1ccc(NC(=O)Nc2ccccc2CC(=O)[O-])cc1SC ZINC001604820363 974054723 /nfs/dbraw/zinc/05/47/23/974054723.db2.gz ALMSCRLWFLFOQM-UHFFFAOYSA-N -1 0 346.408 3.688 20 0 EHADRM COCc1cc(NC(=O)[C@@H](C)c2cccc(Cl)c2)cc(C(=O)[O-])c1 ZINC000427709785 974056237 /nfs/dbraw/zinc/05/62/37/974056237.db2.gz LNFCZNWWPOXRFY-NSHDSACASA-N -1 0 347.798 3.927 20 0 EHADRM C[C@H]1CCC[C@H](C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)C1 ZINC000427775759 974059083 /nfs/dbraw/zinc/05/90/83/974059083.db2.gz VGGFXIBFIZAEBG-ZFZWDLNGSA-N -1 0 349.858 3.793 20 0 EHADRM CC[C@H](C)[C@@H](C)C(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000431460272 974065648 /nfs/dbraw/zinc/06/56/48/974065648.db2.gz VFLONKLEFSVTBY-NWDGAFQWSA-N -1 0 345.361 3.801 20 0 EHADRM O=C(C[C@@H]1CC[C@@H](C2CC2)O1)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001605669577 974074773 /nfs/dbraw/zinc/07/47/73/974074773.db2.gz KMKLVRYEWGHADC-AAEUAGOBSA-N -1 0 349.452 3.611 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000431874735 974077594 /nfs/dbraw/zinc/07/75/94/974077594.db2.gz FVCHPCDYLWYWBK-XHSDSOJGSA-N -1 0 339.476 3.512 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000432104701 974086385 /nfs/dbraw/zinc/08/63/85/974086385.db2.gz AEKLHBGKHXTTGE-UHFFFAOYSA-N -1 0 348.358 3.753 20 0 EHADRM Cc1ccc(C)c([C@@H](C)N(C)C(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000432120601 974088951 /nfs/dbraw/zinc/08/89/51/974088951.db2.gz QYFNJGOQKQIIQW-CYBMUJFWSA-N -1 0 329.371 3.974 20 0 EHADRM Cc1ccc2c(CC(=O)N[C@@]3(C)CCCC[C@H]3C(=O)[O-])coc2c1C ZINC000432120502 974089198 /nfs/dbraw/zinc/08/91/98/974089198.db2.gz ANWWDCVZMCOWEW-JXFKEZNVSA-N -1 0 343.423 3.742 20 0 EHADRM O=C([O-])c1cc(NC(=O)CC[C@H]2CCc3ccccc32)ccc1O ZINC001605677059 974090466 /nfs/dbraw/zinc/09/04/66/974090466.db2.gz HYLOOYPHAWQFOK-CYBMUJFWSA-N -1 0 325.364 3.539 20 0 EHADRM C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)c1ccccc1 ZINC000439935563 974114296 /nfs/dbraw/zinc/11/42/96/974114296.db2.gz TVTWWKQDMDESHD-LRDDRELGSA-N -1 0 331.799 3.776 20 0 EHADRM CC(C)COCCC(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000448993007 974131992 /nfs/dbraw/zinc/13/19/92/974131992.db2.gz MJHVBCPRGHZNNO-SFHVURJKSA-N -1 0 343.423 3.535 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1CCCc2sccc21 ZINC000455881235 974159584 /nfs/dbraw/zinc/15/95/84/974159584.db2.gz UGWYOVGLMVRBLG-GFCCVEGCSA-N -1 0 331.393 3.514 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1CCCc2sccc21 ZINC000455881237 974159687 /nfs/dbraw/zinc/15/96/87/974159687.db2.gz UGWYOVGLMVRBLG-LBPRGKRZSA-N -1 0 331.393 3.514 20 0 EHADRM O=C([O-])c1ccc([C@@H](NC(=O)CCC2CCC2)C(F)(F)F)cc1 ZINC000455917302 974168893 /nfs/dbraw/zinc/16/88/93/974168893.db2.gz FVHNAOXWJRYZPX-CQSZACIVSA-N -1 0 329.318 3.685 20 0 EHADRM O=C([O-])c1ccc([C@@H](NC(=O)CC2CCCC2)C(F)(F)F)cc1 ZINC000455942444 974175725 /nfs/dbraw/zinc/17/57/25/974175725.db2.gz YNPKQHADYBZNRF-CQSZACIVSA-N -1 0 329.318 3.685 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000470973844 974194872 /nfs/dbraw/zinc/19/48/72/974194872.db2.gz GMYZPMJJLIUDRK-CQSZACIVSA-N -1 0 345.826 3.632 20 0 EHADRM Cc1oc(CN(C)C(=O)/C=C\c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000492119028 974257246 /nfs/dbraw/zinc/25/72/46/974257246.db2.gz OBHXASSXNLVDRG-YVMONPNESA-N -1 0 333.771 3.611 20 0 EHADRM CCOc1ccc(NC(=O)c2coc(/C=C\C(=O)[O-])c2)cc1Cl ZINC001603869496 974372311 /nfs/dbraw/zinc/37/23/11/974372311.db2.gz USUIRDCCXGDNMW-XQRVVYSFSA-N -1 0 335.743 3.682 20 0 EHADRM CN(Cc1ccc(F)cc1Cl)C(=O)CCc1ccccc1C(=O)[O-] ZINC000537472267 974383595 /nfs/dbraw/zinc/38/35/95/974383595.db2.gz NSLWAYQRKGSDAT-UHFFFAOYSA-N -1 0 349.789 3.769 20 0 EHADRM COc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)cc1F ZINC000538505913 974389740 /nfs/dbraw/zinc/38/97/40/974389740.db2.gz UNHBWGHHLIJLDV-UHFFFAOYSA-N -1 0 347.342 3.572 20 0 EHADRM O=C([O-])CC1(CNC(=O)C2(c3cccc(Cl)c3)CC2)CCCCC1 ZINC000538577271 974391715 /nfs/dbraw/zinc/39/17/15/974391715.db2.gz PTWJAIREVGYEHG-UHFFFAOYSA-N -1 0 349.858 3.913 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)Oc1ccc2c(c1)CCC2 ZINC000539608110 974397016 /nfs/dbraw/zinc/39/70/16/974397016.db2.gz QVHWMTKIBZBGKG-ZDUSSCGKSA-N -1 0 339.391 3.588 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1ccc(-c2ccccc2)c(C)n1)C(=O)[O-] ZINC001603927183 974420882 /nfs/dbraw/zinc/42/08/82/974420882.db2.gz REWWAZUVKLXUEJ-SJCJKPOMSA-N -1 0 341.411 3.678 20 0 EHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001603976208 974473323 /nfs/dbraw/zinc/47/33/23/974473323.db2.gz FYJURMVEMRYHPG-XUVXKRRUSA-N -1 0 349.430 3.563 20 0 EHADRM O=C([O-])CC1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000563285169 974528351 /nfs/dbraw/zinc/52/83/51/974528351.db2.gz YAFAETLVMZJGPM-UHFFFAOYSA-N -1 0 334.416 3.636 20 0 EHADRM CCn1ccc(C(=O)N2C[C@H](CCC(=O)[O-])Cc3ccccc32)c1C ZINC001604018153 974529315 /nfs/dbraw/zinc/52/93/15/974529315.db2.gz SLXUMSNHSPEYRL-OAHLLOKOSA-N -1 0 340.423 3.500 20 0 EHADRM O=C([O-])[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21)CC1CC1 ZINC000565086977 974566841 /nfs/dbraw/zinc/56/68/41/974566841.db2.gz FKSVOIYUDYWVLV-ZYSHUDEJSA-N -1 0 337.419 3.560 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000565226495 974575472 /nfs/dbraw/zinc/57/54/72/974575472.db2.gz XSXQARATYNKFFL-OQPBUACISA-N -1 0 337.725 3.561 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000567459469 974634890 /nfs/dbraw/zinc/63/48/90/974634890.db2.gz WOZLLOMWDDVVHC-NSHDSACASA-N -1 0 337.416 3.826 20 0 EHADRM C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(Cl)c2)C[C@@H](c2ccccc2)O1 ZINC000568061975 974657031 /nfs/dbraw/zinc/65/70/31/974657031.db2.gz YUSSFBZPQJBMHL-BVGQSLNGSA-N -1 0 345.826 3.928 20 0 EHADRM CCO[C@H](C)c1nc(CN(C)Cc2csc(C(=O)[O-])c2)cs1 ZINC000568067192 974659070 /nfs/dbraw/zinc/65/90/70/974659070.db2.gz OOLARZOXIMBFFF-SNVBAGLBSA-N -1 0 340.470 3.632 20 0 EHADRM Cc1ccccc1[C@H](C(=O)[O-])N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000568066328 974659612 /nfs/dbraw/zinc/65/96/12/974659612.db2.gz XLPRCPFQDHLWSS-MDASCCDHSA-N -1 0 343.398 3.722 20 0 EHADRM CC[C@H]1CN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CCS1 ZINC000568098837 974662138 /nfs/dbraw/zinc/66/21/38/974662138.db2.gz VQVMFMAAISVUIO-ZANVPECISA-N -1 0 334.268 3.947 20 0 EHADRM CCc1ccc([C@@H]2CN([C@@H](C(=O)[O-])c3ccsc3)CCO2)cc1 ZINC000572168900 974742606 /nfs/dbraw/zinc/74/26/06/974742606.db2.gz PXIIEYRUZZLZRL-DLBZAZTESA-N -1 0 331.437 3.510 20 0 EHADRM CC1(CC(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)CCCCC1 ZINC000573507217 974767275 /nfs/dbraw/zinc/76/72/75/974767275.db2.gz SUWGDRAFBNTBQR-HXUWFJFHSA-N -1 0 329.440 3.602 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000573933759 974774083 /nfs/dbraw/zinc/77/40/83/974774083.db2.gz JIYCGPLIIVVMAZ-CQSZACIVSA-N -1 0 333.428 3.975 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)C1(c2cccs2)CCCCC1)CC1CC1 ZINC000579364026 974873766 /nfs/dbraw/zinc/87/37/66/974873766.db2.gz PSQROWSLUQZYCB-CQSZACIVSA-N -1 0 335.469 3.567 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(NCCC[C@H]3CCCCO3)c12 ZINC000580775923 974899980 /nfs/dbraw/zinc/89/99/80/974899980.db2.gz IVLPGUOCLQKQLD-GFCCVEGCSA-N -1 0 349.456 3.768 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1C ZINC000107963667 1014220941 /nfs/dbraw/zinc/22/09/41/1014220941.db2.gz DDRACFIULKDDEM-OWJWWREXSA-N -1 0 347.455 3.770 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N[C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000581895450 974917778 /nfs/dbraw/zinc/91/77/78/974917778.db2.gz FGGUSHZKULKFSN-GOSISDBHSA-N -1 0 345.370 3.544 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@H](CCc1ccccc1)c1ccccc1 ZINC000582370088 974924843 /nfs/dbraw/zinc/92/48/43/974924843.db2.gz FNBYJMQIFQOKMO-QFBILLFUSA-N -1 0 339.435 3.978 20 0 EHADRM Cc1cccc(C(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)c1Cl ZINC000582847516 974932266 /nfs/dbraw/zinc/93/22/66/974932266.db2.gz SRCIGKXVVWSSCW-IBGZPJMESA-N -1 0 343.810 3.517 20 0 EHADRM CCC[C@@H]1CN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)CCO1 ZINC000583327300 974939643 /nfs/dbraw/zinc/93/96/43/974939643.db2.gz IKDKYRMDNPFXBJ-MRXNPFEDSA-N -1 0 346.452 3.509 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000583763574 974945699 /nfs/dbraw/zinc/94/56/99/974945699.db2.gz CSSGUSVOIIIHPR-ZFWWWQNUSA-N -1 0 331.437 3.649 20 0 EHADRM CC[C@H](C)CCCCC(=O)[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000784899664 1014225616 /nfs/dbraw/zinc/22/56/16/1014225616.db2.gz VETACVOSTRZOMK-LBPRGKRZSA-N -1 0 347.427 3.517 20 0 EHADRM Cc1cc(Br)oc1C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000611826102 975019213 /nfs/dbraw/zinc/01/92/13/975019213.db2.gz BGRMQSUMTBLPQN-UHFFFAOYSA-N -1 0 338.157 3.609 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c1 ZINC000621536896 975027692 /nfs/dbraw/zinc/02/76/92/975027692.db2.gz HZSZCJWFVCFLMF-QGZVFWFLSA-N -1 0 348.402 3.886 20 0 EHADRM CC[C@@H](C)CC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000621553859 975030710 /nfs/dbraw/zinc/03/07/10/975030710.db2.gz MYMGAVNZAILYET-SECBINFHSA-N -1 0 333.306 3.701 20 0 EHADRM CC(C)=C[C@H]1[C@@H](C(=O)N2CCc3c(cccc3C(=O)[O-])C2)C1(C)C ZINC000621579165 975040179 /nfs/dbraw/zinc/04/01/79/975040179.db2.gz YRTZZCKZJPZWPB-IRXDYDNUSA-N -1 0 327.424 3.508 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)C[C@@H]1CCCc3ccccc31)C2 ZINC000621579675 975040895 /nfs/dbraw/zinc/04/08/95/975040895.db2.gz WKRYQKUKDASYPY-INIZCTEOSA-N -1 0 349.430 3.780 20 0 EHADRM CCCc1occc1C(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000621588939 975046821 /nfs/dbraw/zinc/04/68/21/975046821.db2.gz JYPLTLKKCDJABR-HOTGVXAUSA-N -1 0 327.380 3.663 20 0 EHADRM O=C([O-])[C@]12CN(C(=O)c3ccc4sccc4c3)C[C@H]1CCCC2 ZINC000621615704 975062377 /nfs/dbraw/zinc/06/23/77/975062377.db2.gz UWUDSOOTYDNUIV-RDTXWAMCSA-N -1 0 329.421 3.618 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H](c2ccco2)c2ccccc2)s1 ZINC000627770662 975073490 /nfs/dbraw/zinc/07/34/90/975073490.db2.gz CHBMGFQVIYBFDJ-HNNXBMFYSA-N -1 0 327.361 3.559 20 0 EHADRM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cncc(C(=O)[O-])c1 ZINC000630113815 975107201 /nfs/dbraw/zinc/10/72/01/975107201.db2.gz VJNFZQJUYRWTBU-MSOLQXFVSA-N -1 0 338.407 3.578 20 0 EHADRM Cc1cc(C(=O)N2C[C@H](c3ccccc3C)C[C@H]2C)oc1C(=O)[O-] ZINC000630121886 975110200 /nfs/dbraw/zinc/11/02/00/975110200.db2.gz UTJNDNXKXXXSPV-ZIAGYGMSSA-N -1 0 327.380 3.613 20 0 EHADRM Cc1cccc(CO[C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000630130069 975114960 /nfs/dbraw/zinc/11/49/60/975114960.db2.gz GWYVRHRZPHIZDA-CQSZACIVSA-N -1 0 327.380 3.545 20 0 EHADRM O=C([O-])[C@H](CNC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000630142354 975126381 /nfs/dbraw/zinc/12/63/81/975126381.db2.gz MSPAORYTJVOWFZ-GUDVDZBRSA-N -1 0 337.419 3.555 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccsc1)c1ccc(Cl)cc1 ZINC000630146356 975128911 /nfs/dbraw/zinc/12/89/11/975128911.db2.gz MVYKLPFBZKSUDC-ZNMIVQPWSA-N -1 0 349.839 3.837 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)Cc1ccccc1C ZINC000630184356 975146187 /nfs/dbraw/zinc/14/61/87/975146187.db2.gz LSTNIQZTPAZELX-CYBMUJFWSA-N -1 0 327.380 3.519 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@H](c3ccc(F)cc3)CC2)oc1C(=O)[O-] ZINC000630213924 975162878 /nfs/dbraw/zinc/16/28/78/975162878.db2.gz CNEVQGCROBYYJZ-ZDUSSCGKSA-N -1 0 345.370 3.835 20 0 EHADRM CC(C)Cc1ccccc1CNC(=O)CCc1ccccc1C(=O)[O-] ZINC000630229028 975176987 /nfs/dbraw/zinc/17/69/87/975176987.db2.gz RGLMLMQUHZLJIZ-UHFFFAOYSA-N -1 0 339.435 3.832 20 0 EHADRM O=C([O-])Cc1ccc(CNC(=O)CCCCCc2cccs2)cc1 ZINC000630233456 975180806 /nfs/dbraw/zinc/18/08/06/975180806.db2.gz UUWFCJHZHBXRGQ-UHFFFAOYSA-N -1 0 345.464 3.795 20 0 EHADRM CC(C)C[C@@H](C)OCCC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC000630235590 975182238 /nfs/dbraw/zinc/18/22/38/975182238.db2.gz DNPLMJIICKUVOM-GFCCVEGCSA-N -1 0 332.400 3.646 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)[C@@H]2CCC[C@H]21 ZINC000630283278 975228280 /nfs/dbraw/zinc/22/82/80/975228280.db2.gz SBIPPVYSUMFOGP-BFHYXJOUSA-N -1 0 342.222 3.709 20 0 EHADRM CCc1ccc2occ(C(=O)N3CC[C@H](C(=O)[O-])[C@H]4CCC[C@H]43)c2c1 ZINC000630285405 975229756 /nfs/dbraw/zinc/22/97/56/975229756.db2.gz RBBODSSZLDZOKD-JKIFEVAISA-N -1 0 341.407 3.711 20 0 EHADRM CC(C)Sc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)cc1 ZINC000630285520 975230100 /nfs/dbraw/zinc/23/01/00/975230100.db2.gz OBNDOLVZEBBUEV-YESZJQIVSA-N -1 0 347.480 3.903 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)Cc2cccc(C(=O)[O-])c2)c(C)c1 ZINC000630289218 975232153 /nfs/dbraw/zinc/23/21/53/975232153.db2.gz QSLCKOPNUCAEBC-HNNXBMFYSA-N -1 0 325.408 3.764 20 0 EHADRM CC(C)OCc1ccc(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)cc1 ZINC000630290986 975233206 /nfs/dbraw/zinc/23/32/06/975233206.db2.gz PJGFNSQXBZTSPV-UHFFFAOYSA-N -1 0 331.412 3.585 20 0 EHADRM Cc1ccc(SC[C@H](C)NC(=O)c2cccc(CC(=O)[O-])c2)cc1 ZINC000630296831 975236367 /nfs/dbraw/zinc/23/63/67/975236367.db2.gz IIVGRHLHNNZJRV-AWEZNQCLSA-N -1 0 343.448 3.533 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N2C3CCC2(C(=O)[O-])CC3)cc1 ZINC000630326473 975253683 /nfs/dbraw/zinc/25/36/83/975253683.db2.gz YSIQMSRCFPUGDU-FNMUINPESA-N -1 0 329.440 3.912 20 0 EHADRM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)C1CC(C)(C)CC(C)(C)C1 ZINC000630330671 975258951 /nfs/dbraw/zinc/25/89/51/975258951.db2.gz CYSXPBKNUAILIB-UHFFFAOYSA-N -1 0 349.475 3.766 20 0 EHADRM Cc1cc(NC(=O)C[C@@H](C)CC(=O)[O-])ccc1Oc1ccncc1 ZINC000634832872 975278190 /nfs/dbraw/zinc/27/81/90/975278190.db2.gz PAPSXJZTZLKSID-GFCCVEGCSA-N -1 0 328.368 3.622 20 0 EHADRM Cc1cc(NC(=O)C[C@H](C)CC(=O)[O-])ccc1Oc1ccncc1 ZINC000634832873 975278459 /nfs/dbraw/zinc/27/84/59/975278459.db2.gz PAPSXJZTZLKSID-LBPRGKRZSA-N -1 0 328.368 3.622 20 0 EHADRM O=C([O-])CC1(CC(=O)N2CCc3cc(Cl)ccc3C2)CCCC1 ZINC000634914971 975281067 /nfs/dbraw/zinc/28/10/67/975281067.db2.gz JUOXIDHJNKKBSH-UHFFFAOYSA-N -1 0 335.831 3.650 20 0 EHADRM CC(C)CN(CCc1ccc(F)cc1)C(=O)c1ccc(C(=O)[O-])s1 ZINC000642057802 975287876 /nfs/dbraw/zinc/28/78/76/975287876.db2.gz XNNOHFXDSPLLKK-UHFFFAOYSA-N -1 0 349.427 3.926 20 0 EHADRM O=C([O-])c1cnc(NC[C@H](c2ccco2)N2CCCCC2)c(Cl)c1 ZINC000647447897 975360784 /nfs/dbraw/zinc/36/07/84/975360784.db2.gz FHYROZRCAXYDRA-CQSZACIVSA-N -1 0 349.818 3.665 20 0 EHADRM CC(C)c1ccccc1NC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000649536733 975422349 /nfs/dbraw/zinc/42/23/49/975422349.db2.gz DYRHKZXJIQSXJU-HXUWFJFHSA-N -1 0 340.423 3.974 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCCC[C@H]2Cc2ccccc2F)C1 ZINC000652121751 975507902 /nfs/dbraw/zinc/50/79/02/975507902.db2.gz UROOYKYYYUNERQ-BBWFWOEESA-N -1 0 347.430 3.640 20 0 EHADRM CC1(C)C[C@H](NC(=O)c2ccc(C(=O)[O-])s2)c2cc(F)ccc2O1 ZINC000652121052 975508246 /nfs/dbraw/zinc/50/82/46/975508246.db2.gz UBXGJVJDZUJMOS-NSHDSACASA-N -1 0 349.383 3.618 20 0 EHADRM CC(C)OC1(C(=O)Nc2cccc3cc(C(=O)[O-])sc32)CCC1 ZINC001591693199 975508780 /nfs/dbraw/zinc/50/87/80/975508780.db2.gz NYUSJALVMXKGAI-UHFFFAOYSA-N -1 0 333.409 3.886 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)c1 ZINC000653639182 975604406 /nfs/dbraw/zinc/60/44/06/975604406.db2.gz BIBCCRFPJCPOLP-RBUKOAKNSA-N -1 0 337.419 3.770 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N2CCC[C@@H]2c2ccccc2Cl)c1 ZINC000653642273 975611113 /nfs/dbraw/zinc/61/11/13/975611113.db2.gz RNSSNJVKNFZKCS-QGZVFWFLSA-N -1 0 343.810 3.944 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cccc(CC(=O)[O-])c2)CC12CCCCC2 ZINC000653644338 975614144 /nfs/dbraw/zinc/61/41/44/975614144.db2.gz GCRGKQHQOAKOCG-OAHLLOKOSA-N -1 0 329.440 3.746 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)CCc2c(Cl)cccc2Cl)C1 ZINC000656251227 975658028 /nfs/dbraw/zinc/65/80/28/975658028.db2.gz NWGHNDXXPYLYNY-INIZCTEOSA-N -1 0 344.238 3.639 20 0 EHADRM C[C@@H](NC(=O)CCC(=O)[O-])c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC000656487809 975660571 /nfs/dbraw/zinc/66/05/71/975660571.db2.gz ZORAPDXMYAEPRA-HUUCEWRRSA-N -1 0 341.407 3.869 20 0 EHADRM CC(C)OCCCC(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1 ZINC001591722280 975662492 /nfs/dbraw/zinc/66/24/92/975662492.db2.gz WQHWXEOPVWBQRS-UHFFFAOYSA-N -1 0 340.445 3.643 20 0 EHADRM CC(F)(F)c1cccc(NC(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC000656604035 975665709 /nfs/dbraw/zinc/66/57/09/975665709.db2.gz HDVVRJPHNOOASZ-UHFFFAOYSA-N -1 0 340.370 3.907 20 0 EHADRM CC(C)OCc1ccc(C(=O)Nc2cc(C(=O)[O-])cnc2Cl)cc1 ZINC001591730859 975700796 /nfs/dbraw/zinc/70/07/96/975700796.db2.gz GQJFSVQOFXYKJU-UHFFFAOYSA-N -1 0 348.786 3.611 20 0 EHADRM CCCCOc1ccc(OC)cc1NC(=O)c1cc(C(=O)[O-])oc1C ZINC000659119185 975716031 /nfs/dbraw/zinc/71/60/31/975716031.db2.gz MZMXEJPQWJRXJQ-UHFFFAOYSA-N -1 0 347.367 3.726 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)C1CC2(C1)CCCCC2)c1ccccc1 ZINC000659129482 975729175 /nfs/dbraw/zinc/72/91/75/975729175.db2.gz RWXHEJPOMNZKGK-RHSMWYFYSA-N -1 0 329.440 3.925 20 0 EHADRM CC(C)Oc1c(NC(=O)[C@@H]2Cc3ccc(F)cc32)cccc1C(=O)[O-] ZINC001591741196 975749235 /nfs/dbraw/zinc/74/92/35/975749235.db2.gz CSBNTFHGOYIBDV-OAHLLOKOSA-N -1 0 343.354 3.590 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)[C@H]1CC[C@H](C2CCC2)CC1)c1ccc(F)cc1 ZINC000659150526 975751509 /nfs/dbraw/zinc/75/15/09/975751509.db2.gz AVOFXZIMIOXGGY-ZVZYQTTQSA-N -1 0 347.430 3.717 20 0 EHADRM C[C@@H](NC(=O)C1CCC(C2CC2)CC1)c1ccc(OCC(=O)[O-])cc1 ZINC000659157978 975756691 /nfs/dbraw/zinc/75/66/91/975756691.db2.gz UEQZTQTZOHIELX-NVPAJSRCSA-N -1 0 345.439 3.544 20 0 EHADRM CC(C)Oc1c(NC(=O)N[C@@H]2CCC[C@@H](F)C2)cccc1C(=O)[O-] ZINC001591743762 975761483 /nfs/dbraw/zinc/76/14/83/975761483.db2.gz BRELTLVQYGLJCG-VXGBXAGGSA-N -1 0 338.379 3.574 20 0 EHADRM CC(C)[C@@H](NC(=O)Cc1ccccc1C(=O)[O-])c1ccccc1F ZINC000659179600 975774397 /nfs/dbraw/zinc/77/43/97/975774397.db2.gz MJWQPBDSHMALEO-GOSISDBHSA-N -1 0 329.371 3.580 20 0 EHADRM C[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21)c1ccc(Cl)cc1 ZINC000659193397 975792185 /nfs/dbraw/zinc/79/21/85/975792185.db2.gz PYWOLPMZLZEXAY-IEAZIUSSSA-N -1 0 349.858 3.935 20 0 EHADRM O=C([O-])C[C@H](CNC(=O)c1ccc(-c2ccccc2Cl)o1)C1CC1 ZINC000659207917 975817651 /nfs/dbraw/zinc/81/76/51/975817651.db2.gz VUHGFCQGVVNDNM-GFCCVEGCSA-N -1 0 347.798 3.831 20 0 EHADRM CC(C)c1cc(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)c2ccccc2n1 ZINC000659209312 975820807 /nfs/dbraw/zinc/82/08/07/975820807.db2.gz MABJRNSWCMUIDB-CQSZACIVSA-N -1 0 340.423 3.589 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)c1cccc(O)c1 ZINC001591761411 975850329 /nfs/dbraw/zinc/85/03/29/975850329.db2.gz KGUJAEVLIIBOIA-GFCCVEGCSA-N -1 0 343.379 3.620 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NCCc1ccccc1 ZINC001591768984 975888773 /nfs/dbraw/zinc/88/87/73/975888773.db2.gz BQOOCZWWFBGOLB-UHFFFAOYSA-N -1 0 342.395 3.536 20 0 EHADRM CC(C)Oc1ccc(Cl)cc1C(=O)OCc1occc1C(=O)[O-] ZINC001591778383 975940190 /nfs/dbraw/zinc/94/01/90/975940190.db2.gz XZBMVFUZBZUKGS-UHFFFAOYSA-N -1 0 338.743 3.775 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@H](F)Cc2ccccc2)c(C(=O)[O-])c1 ZINC001591780237 975944411 /nfs/dbraw/zinc/94/44/11/975944411.db2.gz GSARBCVDCHCROW-MRXNPFEDSA-N -1 0 345.370 3.691 20 0 EHADRM Cc1cccc2cc(C(=O)N3C[C@@H]4CCC[C@@H]4[C@H]3C(=O)[O-])sc21 ZINC000668287351 975986640 /nfs/dbraw/zinc/98/66/40/975986640.db2.gz ALKNEDFQFGUCAP-YDHLFZDLSA-N -1 0 329.421 3.535 20 0 EHADRM Cc1ccc([C@H]2CCN(C(=O)c3ccc(C(=O)[O-])cc3F)C2)c(C)c1 ZINC000668322517 975997686 /nfs/dbraw/zinc/99/76/86/975997686.db2.gz YFXUTHVIFIRSBE-HNNXBMFYSA-N -1 0 341.382 3.770 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)CCc2ccc(Cl)cc2)c2ccccc21 ZINC000669436303 976003567 /nfs/dbraw/zinc/00/35/67/976003567.db2.gz KLNGJYDQOGZBEZ-INIZCTEOSA-N -1 0 343.810 3.878 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000674995984 976011158 /nfs/dbraw/zinc/01/11/58/976011158.db2.gz VHOXXHHRFOMZQH-HNNXBMFYSA-N -1 0 328.412 3.519 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)C[C@H](C)C2CCCCC2)cc1 ZINC000675947253 976017536 /nfs/dbraw/zinc/01/75/36/976017536.db2.gz WEXQNYKELNBFRC-KSSFIOAISA-N -1 0 347.455 3.934 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N(C)Cc1ccsc1)C(=O)[O-] ZINC000675956201 976019862 /nfs/dbraw/zinc/01/98/62/976019862.db2.gz FJBSELSAFDFACN-LLVKDONJSA-N -1 0 335.450 3.586 20 0 EHADRM C[C@H](CC(=O)N(CC(=O)[O-])C1CCCCC1)c1ccc(F)cc1F ZINC000683309850 976085060 /nfs/dbraw/zinc/08/50/60/976085060.db2.gz RQDKIYFKNNDOOV-GFCCVEGCSA-N -1 0 339.382 3.704 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)NCC2(C(=O)[O-])CCCC2)cc1 ZINC000683315520 976085942 /nfs/dbraw/zinc/08/59/42/976085942.db2.gz AOHXUUVZDVIFRZ-AATRIKPKSA-N -1 0 329.440 3.975 20 0 EHADRM CC(C)[C@@H]1C[C@H](NC(=O)NCC(C)(C)CC(=O)[O-])c2ccccc21 ZINC001591845819 976123979 /nfs/dbraw/zinc/12/39/79/976123979.db2.gz AXSXVZVNFGATEY-HOTGVXAUSA-N -1 0 332.444 3.671 20 0 EHADRM CC(C)[C@@H]1C[C@H](NC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)c2ccccc21 ZINC001591846575 976129166 /nfs/dbraw/zinc/12/91/66/976129166.db2.gz SSSNOEIHMPYSGG-BODMPHMZSA-N -1 0 344.455 3.814 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)nc1 ZINC001591941892 976463711 /nfs/dbraw/zinc/46/37/11/976463711.db2.gz IICOKSDRAUSVJY-MRXNPFEDSA-N -1 0 346.814 3.804 20 0 EHADRM CC(C)c1ccc([C@@H]2CCCN2C(=O)c2csc(C(=O)[O-])n2)cc1 ZINC001591949665 976508953 /nfs/dbraw/zinc/50/89/53/976508953.db2.gz YTTBRRKBZDMRTH-HNNXBMFYSA-N -1 0 344.436 3.942 20 0 EHADRM CC(C)c1ccc(CCNC(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC001591953744 976517824 /nfs/dbraw/zinc/51/78/24/976517824.db2.gz AYQOBINZEQZUCF-UHFFFAOYSA-N -1 0 332.425 3.934 20 0 EHADRM CC(C)c1ccc(NC(=O)N[C@](C)(CC(=O)[O-])c2cccnc2)cc1 ZINC001591965214 976556133 /nfs/dbraw/zinc/55/61/33/976556133.db2.gz HVRVJYYEHPTFDV-LJQANCHMSA-N -1 0 341.411 3.717 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)Cc1cccc(C(=O)[O-])c1)CC2 ZINC001591973499 976576826 /nfs/dbraw/zinc/57/68/26/976576826.db2.gz BUAFZEYOZHSSJD-LJQANCHMSA-N -1 0 337.419 3.854 20 0 EHADRM CC(C)c1ccc2ncnc(N3Cc4ccc(C(=O)[O-])cc4C3)c2c1 ZINC001591981141 976595815 /nfs/dbraw/zinc/59/58/15/976595815.db2.gz OSIBTQCSSDDNQK-UHFFFAOYSA-N -1 0 333.391 3.972 20 0 EHADRM CC(C)c1cccc(OCC(=O)Nc2ncc(C(=O)[O-])cc2Cl)c1 ZINC001591994189 976628421 /nfs/dbraw/zinc/62/84/21/976628421.db2.gz JBZUEIQFUDBPNN-UHFFFAOYSA-N -1 0 348.786 3.574 20 0 EHADRM CC(C)c1nc(N(CCC(F)(F)F)CC(=O)[O-])cc(C(C)(C)C)n1 ZINC001592021984 976717452 /nfs/dbraw/zinc/71/74/52/976717452.db2.gz JVLCQSUFLNKCTO-UHFFFAOYSA-N -1 0 347.381 3.741 20 0 EHADRM CC(C)c1ncc(C(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)s1 ZINC001592033046 976747866 /nfs/dbraw/zinc/74/78/66/976747866.db2.gz GTKNHRQEVGCKFJ-UHFFFAOYSA-N -1 0 337.426 3.551 20 0 EHADRM CC(C)c1ncsc1NC(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001592042162 976766967 /nfs/dbraw/zinc/76/69/67/976766967.db2.gz AYYAQLIYROZPKR-GFCCVEGCSA-N -1 0 339.461 3.669 20 0 EHADRM CC(C)c1nn(C)cc1N[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC001592050782 976791963 /nfs/dbraw/zinc/79/19/63/976791963.db2.gz WBYUBRPZDZXBBQ-AWEZNQCLSA-N -1 0 341.333 3.800 20 0 EHADRM CC(C)c1ocnc1CN[C@@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21 ZINC001592107847 976888452 /nfs/dbraw/zinc/88/84/52/976888452.db2.gz DQHXUQNXPCCAGZ-YJYMSZOUSA-N -1 0 328.412 3.765 20 0 EHADRM CC(C)c1sc(NC(=O)c2cccnc2C(F)F)nc1C(=O)[O-] ZINC001592114764 976909653 /nfs/dbraw/zinc/90/96/53/976909653.db2.gz IRGWKAKDHCYFKG-UHFFFAOYSA-N -1 0 341.339 3.550 20 0 EHADRM CC(C)c1sc(NC(=O)c2nccc3ccsc32)nc1C(=O)[O-] ZINC001592115221 976913742 /nfs/dbraw/zinc/91/37/42/976913742.db2.gz WCAIONLXEMHWOY-UHFFFAOYSA-N -1 0 347.421 3.827 20 0 EHADRM C[C@H](CC(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])Cc1ccc(Cl)cc1 ZINC001592242453 977461457 /nfs/dbraw/zinc/46/14/57/977461457.db2.gz IDODKTFMUCLHBH-WFASDCNBSA-N -1 0 339.863 3.914 20 0 EHADRM C[C@@H](CC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)c1ccc(F)cc1 ZINC001592262001 977505228 /nfs/dbraw/zinc/50/52/28/977505228.db2.gz LCVMFVKDVCGZHQ-VIFPVBQESA-N -1 0 337.297 3.934 20 0 EHADRM C[C@@H](CC(=O)Nc1cc2c(cc1C(=O)[O-])OCCCO2)CC(C)(C)C ZINC001592262141 977506796 /nfs/dbraw/zinc/50/67/96/977506796.db2.gz PJRIHYUUVTZUSF-LBPRGKRZSA-N -1 0 349.427 3.947 20 0 EHADRM C[C@H](CC(=O)Nc1cccc(CC(=O)[O-])c1)c1c[nH]c2ccccc21 ZINC001592274961 977551853 /nfs/dbraw/zinc/55/18/53/977551853.db2.gz WOSYIGXALDIFDF-CYBMUJFWSA-N -1 0 336.391 3.927 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)Nc1cc(Cl)ccc1Cl)C1CC1 ZINC001592291034 977620565 /nfs/dbraw/zinc/62/05/65/977620565.db2.gz YPCUJMFTFFSVNB-CQSZACIVSA-N -1 0 331.199 3.758 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)c1cc(Cl)c(F)cc1Cl)C1CC1 ZINC001592304618 977666095 /nfs/dbraw/zinc/66/60/95/977666095.db2.gz SDYWXPHSRGVSEM-CQSZACIVSA-N -1 0 334.174 3.506 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N(Cc1ccc(F)cc1F)C1CCCC1 ZINC001592369902 977879331 /nfs/dbraw/zinc/87/93/31/977879331.db2.gz CMJPMMWHCSTWLU-GFCCVEGCSA-N -1 0 339.382 3.737 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)O[C@H](C)c1cccc(OCc2ccccc2)c1 ZINC001592371931 977899284 /nfs/dbraw/zinc/89/92/84/977899284.db2.gz VPXFKCRHLZHXKH-HUUCEWRRSA-N -1 0 342.391 3.981 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Oc1cccc(OCc2ccccc2)c1 ZINC001592402032 977968024 /nfs/dbraw/zinc/96/80/24/977968024.db2.gz MBVPAUTUQMHQSB-AWEZNQCLSA-N -1 0 328.364 3.672 20 0 EHADRM C[C@@H](CC(=O)O[C@H](C(=O)[O-])c1ccccc1C(F)(F)F)C1CC1 ZINC001592424588 978046502 /nfs/dbraw/zinc/04/65/02/978046502.db2.gz UHAFZTMJENCBED-XPTSAGLGSA-N -1 0 330.302 3.811 20 0 EHADRM C[C@@H](CC(F)(F)F)NC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001592454677 978166021 /nfs/dbraw/zinc/16/60/21/978166021.db2.gz QPEQUIFGLIWPQU-YFKPBYRVSA-N -1 0 342.676 3.640 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001592465655 978207720 /nfs/dbraw/zinc/20/77/20/978207720.db2.gz ILQWIIHNIMUFTH-KWCYVHTRSA-N -1 0 349.393 3.705 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001592466226 978211379 /nfs/dbraw/zinc/21/13/79/978211379.db2.gz SJKWTWLLCQOWII-CXAGYDPISA-N -1 0 335.419 3.544 20 0 EHADRM C[C@@H](CCC(C)(C)C)C(=O)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001592477606 978245267 /nfs/dbraw/zinc/24/52/67/978245267.db2.gz LUTCHHAIYTVIOF-NWDGAFQWSA-N -1 0 338.473 3.620 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)c1nc(-c2cc(C(=O)[O-])co2)no1 ZINC001592541182 978428397 /nfs/dbraw/zinc/42/83/97/978428397.db2.gz WAFPXFPTLJARIJ-JTQLQIEISA-N -1 0 330.315 3.903 20 0 EHADRM C[C@H](CN(C(=O)c1ccc(Cl)cc1C(F)(F)F)C1CC1)C(=O)[O-] ZINC001592562936 978452767 /nfs/dbraw/zinc/45/27/67/978452767.db2.gz VLIXLDDFUWSLLK-MRVPVSSYSA-N -1 0 349.736 3.684 20 0 EHADRM C[C@H](CN(C)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)c1ccccc1 ZINC001592575294 978477790 /nfs/dbraw/zinc/47/77/90/978477790.db2.gz WWPLLXFENNLFAV-LLVKDONJSA-N -1 0 348.349 3.930 20 0 EHADRM Cc1cc(C(=O)[O-])c2sc(NC(=O)[C@H](C)c3ccsc3)nc2n1 ZINC000738344356 978522050 /nfs/dbraw/zinc/52/20/50/978522050.db2.gz YWZDCGXJTPDXMY-MRVPVSSYSA-N -1 0 347.421 3.502 20 0 EHADRM Cc1cc(C(=O)[O-])c2sc(NC(=O)[C@@H](C)c3cccs3)nc2n1 ZINC000738342077 978522058 /nfs/dbraw/zinc/52/20/58/978522058.db2.gz JRXXQUQENIQEDN-QMMMGPOBSA-N -1 0 347.421 3.502 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1csc(Cl)c1)C(=O)[O-] ZINC001592604733 978546904 /nfs/dbraw/zinc/54/69/04/978546904.db2.gz MFPMXUODOAWUNQ-NSHDSACASA-N -1 0 337.828 3.765 20 0 EHADRM Cc1ccc(OC(=O)CCCOc2ccccc2C)c(C(=O)[O-])c1 ZINC000738637417 978578851 /nfs/dbraw/zinc/57/88/51/978578851.db2.gz CSZUGIVAJLIXDV-UHFFFAOYSA-N -1 0 328.364 3.766 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H]2CCSc3ccccc32)c(F)c1 ZINC000739467153 978641673 /nfs/dbraw/zinc/64/16/73/978641673.db2.gz MFLVCYILITXMMN-ZDUSSCGKSA-N -1 0 346.383 3.883 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)C=C2CCC(C)(C)CC2)cc1 ZINC000761392441 978709996 /nfs/dbraw/zinc/70/99/96/978709996.db2.gz RXFAQCXDYMXPTQ-QGZVFWFLSA-N -1 0 345.439 3.854 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl ZINC000766908664 978728888 /nfs/dbraw/zinc/72/88/88/978728888.db2.gz YEHFYARINXPUBS-UTCJRWHESA-N -1 0 349.736 3.695 20 0 EHADRM O=C([O-])c1cccc(/C=C2\C(=O)Nc3c2cccc3Br)c1 ZINC000774143352 978746795 /nfs/dbraw/zinc/74/67/95/978746795.db2.gz WFVNCVYOYMXZQX-WQLSENKSSA-N -1 0 344.164 3.640 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N[C@@H](c2ccccc2)C2CC2)c1 ZINC000811815957 978859169 /nfs/dbraw/zinc/85/91/69/978859169.db2.gz GWUREVHZIUIKCK-INIZCTEOSA-N -1 0 329.783 3.919 20 0 EHADRM COc1ccc2cc(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])ccc2c1 ZINC000818622167 978920145 /nfs/dbraw/zinc/92/01/45/978920145.db2.gz JIAWICMBEMUGCX-HNNXBMFYSA-N -1 0 344.411 3.717 20 0 EHADRM C/C(=C/C(=O)N1CCC[C@@]1(C)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000823338170 978930165 /nfs/dbraw/zinc/93/01/65/978930165.db2.gz ADDBCTVTWHPSRN-SLWQEBJJSA-N -1 0 341.329 3.574 20 0 EHADRM CC(C)[C@H]1CN(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CCS1 ZINC000826741306 978948815 /nfs/dbraw/zinc/94/88/15/978948815.db2.gz BKSVICFRGVYUOT-CYBMUJFWSA-N -1 0 342.848 3.644 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc2c3ccccc3n(C)c2s1 ZINC000828634115 978986209 /nfs/dbraw/zinc/98/62/09/978986209.db2.gz HRKLNOFZICITDK-SFHVURJKSA-N -1 0 344.436 3.766 20 0 EHADRM O=C([O-])Nc1cc(C(=O)OC[C@H]2CCCS2)cc(C(F)(F)F)c1 ZINC000833284527 979139594 /nfs/dbraw/zinc/13/95/94/979139594.db2.gz UYVVUVKTKPRCKZ-LLVKDONJSA-N -1 0 349.330 3.848 20 0 EHADRM CC[C@@H](C)n1ncc(NC(=O)Nc2cc(C(=O)[O-])sc2C)c1C ZINC001595027456 979143565 /nfs/dbraw/zinc/14/35/65/979143565.db2.gz WCWWXJHDZQTYMN-MRVPVSSYSA-N -1 0 336.417 3.875 20 0 EHADRM CC(C)c1ccc(O[C@@H](C)CNC(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC001592696904 979151306 /nfs/dbraw/zinc/15/13/06/979151306.db2.gz LREQVRMVTMVYRB-AWEZNQCLSA-N -1 0 341.407 3.706 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(Cc1ncc(-c3cccc(F)c3)o1)C2 ZINC000833326022 979159695 /nfs/dbraw/zinc/15/96/95/979159695.db2.gz GMOUNBKXLPWTPM-UHFFFAOYSA-N -1 0 338.338 3.695 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1c[nH]c2cc(Cl)ccc21)c1ccccc1F ZINC000833352650 979168016 /nfs/dbraw/zinc/16/80/16/979168016.db2.gz YJUVQRLTDYLHCA-HNNXBMFYSA-N -1 0 347.729 3.943 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NCc1ncc(Cl)cc1Cl)c1ccccc1 ZINC000833406158 979179836 /nfs/dbraw/zinc/17/98/36/979179836.db2.gz CVZUNZIFEAYGKQ-BMIGLBTASA-N -1 0 339.222 3.940 20 0 EHADRM CC[C@@H](CC(C)C)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001595036274 979192863 /nfs/dbraw/zinc/19/28/63/979192863.db2.gz QWSFJEWUYSOJJI-JTQLQIEISA-N -1 0 329.343 3.997 20 0 EHADRM CC[C@@H](CC(=O)N[C@H](CC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC001595037280 979205025 /nfs/dbraw/zinc/20/50/25/979205025.db2.gz XECBKDNLJCJIHI-HKUYNNGSSA-N -1 0 339.435 3.773 20 0 EHADRM CCC(CC)(CC(=O)[O-])C(=O)OCc1ncc(Cl)cc1Cl ZINC001595048931 979270867 /nfs/dbraw/zinc/27/08/67/979270867.db2.gz UOTUYVYRGZUJJM-UHFFFAOYSA-N -1 0 334.199 3.713 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)CCc1ccc(Cl)c(F)c1 ZINC001595049536 979273938 /nfs/dbraw/zinc/27/39/38/979273938.db2.gz QBJAJHJIVMJZBN-UHFFFAOYSA-N -1 0 329.799 3.561 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1c(C)cc(OC)c(C)c1C ZINC001595051311 979283116 /nfs/dbraw/zinc/28/31/16/979283116.db2.gz WCVUZAAKSZJWND-UHFFFAOYSA-N -1 0 336.432 3.775 20 0 EHADRM CCC(CC)(CNC(=O)Nc1csc(-c2ccccc2)n1)C(=O)[O-] ZINC001595071994 979343804 /nfs/dbraw/zinc/34/38/04/979343804.db2.gz TYFLPNHUDURBJU-UHFFFAOYSA-N -1 0 347.440 3.823 20 0 EHADRM CCC(CC)(NC(=O)CCC(=O)c1ccc(CC(C)C)cc1)C(=O)[O-] ZINC001595091010 979385104 /nfs/dbraw/zinc/38/51/04/979385104.db2.gz WIKZNBKINXQJQU-UHFFFAOYSA-N -1 0 347.455 3.608 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](Nc2cc(Cl)nc(C3CC3)n2)c2ccccc21 ZINC000844930806 979402998 /nfs/dbraw/zinc/40/29/98/979402998.db2.gz GBKQXTKWENLSKP-OLZOCXBDSA-N -1 0 329.787 3.733 20 0 EHADRM CCC(CC)[C@@H](C)C(=O)Nc1cc(C(F)(F)F)cnc1C(=O)[O-] ZINC001595105194 979420554 /nfs/dbraw/zinc/42/05/54/979420554.db2.gz DFPBQBZLSRXQQU-MRVPVSSYSA-N -1 0 332.322 3.809 20 0 EHADRM O=C([O-])C[C@@H](CNc1nc(-c2cccnc2)nc2ccccc21)C1CC1 ZINC000849347686 979498904 /nfs/dbraw/zinc/49/89/04/979498904.db2.gz AWDKDWDAQLRWQP-HNNXBMFYSA-N -1 0 348.406 3.605 20 0 EHADRM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851593111 979502971 /nfs/dbraw/zinc/50/29/71/979502971.db2.gz MDSQSMRFIIUOKO-BENRWUELSA-N -1 0 341.407 3.947 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001595125604 979508131 /nfs/dbraw/zinc/50/81/31/979508131.db2.gz BVISPXLIIXOIDT-OAHLLOKOSA-N -1 0 345.439 3.712 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccc(/C=C/C(=O)[O-])o2)o1 ZINC000851595824 979509405 /nfs/dbraw/zinc/50/94/05/979509405.db2.gz LJIACRCNOLIUMY-ITPJJHHZSA-N -1 0 343.379 3.892 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)OC1CCC(CC(=O)[O-])CC1 ZINC001595126020 979514167 /nfs/dbraw/zinc/51/41/67/979514167.db2.gz GSCUPCGYALIPTI-UHFFFAOYSA-N -1 0 336.432 3.743 20 0 EHADRM O=C([O-])c1cc(NC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)ccc1F ZINC000851598269 979515681 /nfs/dbraw/zinc/51/56/81/979515681.db2.gz POIFOWJYUSNZKN-WFASDCNBSA-N -1 0 327.302 3.678 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851603209 979525734 /nfs/dbraw/zinc/52/57/34/979525734.db2.gz LMGDJTIZQHJUSV-ZOUVEMKTSA-N -1 0 343.354 3.665 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1ccc(/C=C\C(=O)[O-])o1)CC2 ZINC000851605874 979530029 /nfs/dbraw/zinc/53/00/29/979530029.db2.gz NTIRUGJRFBMFJA-JEZWAEDTSA-N -1 0 339.391 3.918 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)o1 ZINC000851607898 979533725 /nfs/dbraw/zinc/53/37/25/979533725.db2.gz VGLSZAOBUGFXON-PTSHSFORSA-N -1 0 343.354 3.583 20 0 EHADRM C[C@@H](CSCC(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001592824065 979535209 /nfs/dbraw/zinc/53/52/09/979535209.db2.gz CVJICHAHDWRQSB-ZDUSSCGKSA-N -1 0 329.421 3.860 20 0 EHADRM CC[C@](CNC(=O)/C=C(\C)c1cccs1)(C(=O)[O-])c1ccccc1 ZINC000856926303 979611744 /nfs/dbraw/zinc/61/17/44/979611744.db2.gz ANJITPQTZXROOF-XYDKVEKUSA-N -1 0 343.448 3.700 20 0 EHADRM CC[C@@H](CNC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1)c1ccccc1 ZINC001595145440 979612674 /nfs/dbraw/zinc/61/26/74/979612674.db2.gz GBYAQHPKAYOZCX-AWEZNQCLSA-N -1 0 344.411 3.621 20 0 EHADRM CC[C@](C)([N-]S(=O)(=O)Cc1c(F)cccc1Cl)C(F)(F)F ZINC000579796640 1014588762 /nfs/dbraw/zinc/58/87/62/1014588762.db2.gz BRYLRWVNYITWDO-NSHDSACASA-N -1 0 347.761 3.630 20 0 EHADRM C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1CCC(C)(C)C(=O)[O-] ZINC000859797232 979633489 /nfs/dbraw/zinc/63/34/89/979633489.db2.gz SCZFWXGSQANVQN-WFASDCNBSA-N -1 0 325.836 3.603 20 0 EHADRM O=C([O-])c1c[nH]c2cc(NC3CCN(c4ccccc4)CC3)ccc12 ZINC000859820857 979654333 /nfs/dbraw/zinc/65/43/33/979654333.db2.gz ZDQJYYKWGIBFCU-UHFFFAOYSA-N -1 0 335.407 3.947 20 0 EHADRM C[C@@H](CSC(F)(F)F)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001592857725 979665017 /nfs/dbraw/zinc/66/50/17/979665017.db2.gz LEFQKXMILCXRSS-UWVGGRQHSA-N -1 0 349.374 3.777 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)C[C@]2(C)CC2(Cl)Cl)cc1)C(=O)[O-] ZINC001592857855 979667208 /nfs/dbraw/zinc/66/72/08/979667208.db2.gz AHTPPKKMIPDSQB-ZUZCIYMTSA-N -1 0 344.238 3.862 20 0 EHADRM CC(C)[C@H]1N(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)CC1(C)C ZINC001592860337 979689580 /nfs/dbraw/zinc/68/95/80/979689580.db2.gz HQSOIXCDUVQFHT-CZUORRHYSA-N -1 0 332.444 3.848 20 0 EHADRM Cc1ccc(C(=O)N(C)CCCCc2ccccc2)cc1C(=O)[O-] ZINC000864104282 979690113 /nfs/dbraw/zinc/69/01/13/979690113.db2.gz BPXIWAQKAHWOPM-UHFFFAOYSA-N -1 0 325.408 3.788 20 0 EHADRM CCN(C(=O)c1ccc(C)c(C(=O)[O-])c1)[C@H](C)c1cccc(OC)c1 ZINC000864104967 979691177 /nfs/dbraw/zinc/69/11/77/979691177.db2.gz XMMFLHAOOWAVEX-CQSZACIVSA-N -1 0 341.407 3.925 20 0 EHADRM Cc1ccc(C[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC000864108041 979696926 /nfs/dbraw/zinc/69/69/26/979696926.db2.gz JMGJEFHKBCJPRC-SOGBHIHOSA-N -1 0 339.391 3.533 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N2CC[C@@H]2C2CCCC2)cc1)C(=O)[O-] ZINC001592861314 979697787 /nfs/dbraw/zinc/69/77/87/979697787.db2.gz QTUMPPUJXVDJJE-SUMWQHHRSA-N -1 0 330.428 3.746 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)o1 ZINC000864108999 979698173 /nfs/dbraw/zinc/69/81/73/979698173.db2.gz KUEORJFLHYUVCG-CKDFRHGISA-N -1 0 343.354 3.788 20 0 EHADRM CC[C@@H](CNC(=O)c1ccccc1Nc1cccc(C)c1C)C(=O)[O-] ZINC001595163656 979700754 /nfs/dbraw/zinc/70/07/54/979700754.db2.gz VRCBLIJAJMVYSQ-HNNXBMFYSA-N -1 0 340.423 3.888 20 0 EHADRM CC(C)[C@H](c1ccccc1)N(C)C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000864110678 979701832 /nfs/dbraw/zinc/70/18/32/979701832.db2.gz VZHDHWSMTAWTGJ-QZEKMECESA-N -1 0 327.380 3.847 20 0 EHADRM Cc1ccc(CN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)C2CC2)cc1C ZINC000864112041 979703499 /nfs/dbraw/zinc/70/34/99/979703499.db2.gz SQYLDFSRTCVBQX-NTMALXAHSA-N -1 0 339.391 3.799 20 0 EHADRM CC[C@](CNC(=O)c1sccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001595166021 979712024 /nfs/dbraw/zinc/71/20/24/979712024.db2.gz KPXZWMFXEIEJCL-MRXNPFEDSA-N -1 0 337.828 3.564 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)NC2CCC(F)(F)CC2)cc1)C(=O)[O-] ZINC001592867987 979717639 /nfs/dbraw/zinc/71/76/39/979717639.db2.gz UKZCOXZXZNJYFC-NSHDSACASA-N -1 0 340.370 3.649 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)NC2(C)C(C)(C)C2(C)C)cc1)C(=O)[O-] ZINC001592868396 979719828 /nfs/dbraw/zinc/71/98/28/979719828.db2.gz YINDMMXRFWHPAP-LBPRGKRZSA-N -1 0 332.444 3.896 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccsc1)c1cccc(Cl)c1 ZINC000864126008 979725875 /nfs/dbraw/zinc/72/58/75/979725875.db2.gz CQVXWEIIBYSMDA-RRFJBIMHSA-N -1 0 349.839 3.837 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2ccnc3ccccc32)cc1)C(=O)[O-] ZINC001592872861 979732254 /nfs/dbraw/zinc/73/22/54/979732254.db2.gz NDOIIHHDMVCALQ-ZDUSSCGKSA-N -1 0 334.375 3.750 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)c1cc2c(cccc2C2CC2)[nH]1 ZINC000864133603 979735300 /nfs/dbraw/zinc/73/53/00/979735300.db2.gz UWDVPWUUDPFNQN-CYBMUJFWSA-N -1 0 326.396 3.515 20 0 EHADRM C[C@H](Cc1ccc(NC[C@H]2C[C@@]2(C)Br)cc1)C(=O)[O-] ZINC001592877302 979743306 /nfs/dbraw/zinc/74/33/06/979743306.db2.gz JHNYBNSKYLALNA-IXPVHAAZSA-N -1 0 326.234 3.535 20 0 EHADRM CC[C@@H](COC(=O)c1cc(-c2ccco2)nc2ccccc21)C(=O)[O-] ZINC001595182131 979803459 /nfs/dbraw/zinc/80/34/59/979803459.db2.gz IDHKAEOUEAJGRT-LBPRGKRZSA-N -1 0 339.347 3.762 20 0 EHADRM C[C@H](Cc1ccco1)C(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001592900317 979819491 /nfs/dbraw/zinc/81/94/91/979819491.db2.gz SDHSYGYRQQIVOG-PXAZEXFGSA-N -1 0 328.364 3.777 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)cc1C(=O)[O-] ZINC000864177414 979822299 /nfs/dbraw/zinc/82/22/99/979822299.db2.gz DRVHPWMFXZLAFU-OAHLLOKOSA-N -1 0 343.810 3.976 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2ccc(F)cc2F)C1 ZINC000864179240 979825506 /nfs/dbraw/zinc/82/55/06/979825506.db2.gz RUYXQNGSAHHNCH-OZVIIMIRSA-N -1 0 337.366 3.519 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N(CC1CC1)c1ccc(C)c(F)c1 ZINC000864179052 979825922 /nfs/dbraw/zinc/82/59/22/979825922.db2.gz PAGYEZIOXIWRKN-UHFFFAOYSA-N -1 0 331.343 3.791 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N(Cc2ccccc2)CC(C)(C)C)s1 ZINC000510065947 1014605676 /nfs/dbraw/zinc/60/56/76/1014605676.db2.gz NNYFWBHZCHVFSN-UHFFFAOYSA-N -1 0 346.500 3.993 20 0 EHADRM Cc1ccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)cc1C(=O)[O-] ZINC000864216597 979904470 /nfs/dbraw/zinc/90/44/70/979904470.db2.gz GKGNWPGTLQDKKV-UHFFFAOYSA-N -1 0 341.382 3.852 20 0 EHADRM COc1ccc(C2CC2)c(NC(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000864226077 979911695 /nfs/dbraw/zinc/91/16/95/979911695.db2.gz ANVQHVOHNYJDAC-UHFFFAOYSA-N -1 0 339.391 3.842 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)c1 ZINC000864229139 979923257 /nfs/dbraw/zinc/92/32/57/979923257.db2.gz SRPSNDTXBMWFPP-KSZLIROESA-N -1 0 341.382 3.570 20 0 EHADRM Cc1ccsc1[C@H]1C[C@@H]1C(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1 ZINC000864229812 979925827 /nfs/dbraw/zinc/92/58/27/979925827.db2.gz MRKBMGINCVLGNF-JYJNAYRXSA-N -1 0 343.448 3.801 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC001595211797 979994991 /nfs/dbraw/zinc/99/49/91/979994991.db2.gz VOHRYKTWYXCMHD-PKOBYXMFSA-N -1 0 339.435 3.814 20 0 EHADRM CC(F)(F)CC(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001592936372 980000288 /nfs/dbraw/zinc/00/02/88/980000288.db2.gz VNAKYBBYHIIJPI-SNVBAGLBSA-N -1 0 327.110 3.708 20 0 EHADRM CC(F)(F)c1ccc(C(=O)N2CCOc3c(C(=O)[O-])cccc32)cc1 ZINC001592943087 980012488 /nfs/dbraw/zinc/01/24/88/980012488.db2.gz APARHZNZTLPWTE-UHFFFAOYSA-N -1 0 347.317 3.536 20 0 EHADRM CC(F)(F)c1ccccc1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001592943775 980016664 /nfs/dbraw/zinc/01/66/64/980016664.db2.gz DJVZWBAPPMCDHD-UHFFFAOYSA-N -1 0 334.322 3.818 20 0 EHADRM C[C@@H](N(C)C(=O)Nc1cc(C(=O)[O-])cc2cccnc21)C1(C)CC1 ZINC001592950830 980032112 /nfs/dbraw/zinc/03/21/12/980032112.db2.gz RLFKDYHVRLTDOY-LLVKDONJSA-N -1 0 327.384 3.585 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC001595219943 980043335 /nfs/dbraw/zinc/04/33/35/980043335.db2.gz UCIBTHUNDXCGKI-MDYRTPRTSA-N -1 0 331.456 3.713 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)Cc1csc(C2CC2)n1 ZINC000872718647 980099014 /nfs/dbraw/zinc/09/90/14/980099014.db2.gz CNZKCIWPNXJEEM-UHFFFAOYSA-N -1 0 330.409 3.517 20 0 EHADRM CC[C@@](NC(=O)[C@@H](C)CC(C)C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595232845 980126899 /nfs/dbraw/zinc/12/68/99/980126899.db2.gz KGENGMXNDYSFNX-SJCJKPOMSA-N -1 0 325.836 3.828 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NCCC[C@@H]1C=CCC1)C(=O)[O-] ZINC000872756157 980141103 /nfs/dbraw/zinc/14/11/03/980141103.db2.gz PQRGHYFEAOVBAV-UONOGXRCSA-N -1 0 333.453 3.728 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)c1cc(Cl)cc3ccccc31)CC2 ZINC000872765741 980152876 /nfs/dbraw/zinc/15/28/76/980152876.db2.gz ZXBQCQZIZLIRGK-APWZRJJASA-N -1 0 343.810 3.963 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)c1cc3c(cccc3F)s1)CC2 ZINC000872769357 980157074 /nfs/dbraw/zinc/15/70/74/980157074.db2.gz SYMGEMGXTWTJDR-PBHICJAKSA-N -1 0 333.384 3.510 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)C[C@@H](C)CC(=O)[O-])cc2)nc1 ZINC000872843978 980160181 /nfs/dbraw/zinc/16/01/81/980160181.db2.gz DFXPKHPIACRICM-CYBMUJFWSA-N -1 0 328.368 3.622 20 0 EHADRM CC[C@@H](NC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)[C@H]1CCCO1 ZINC001595251725 980213681 /nfs/dbraw/zinc/21/36/81/980213681.db2.gz CXWDTXDXYQNRAH-IAGOWNOFSA-N -1 0 342.395 3.617 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)CC[C@H]2CCc3ccccc32)C1 ZINC000887326385 980216834 /nfs/dbraw/zinc/21/68/34/980216834.db2.gz APPVCHDSWWTUDN-DOTOQJQBSA-N -1 0 329.440 3.600 20 0 EHADRM CC[C@@H](NC(=O)NCc1ccc(C(=O)[O-])cc1F)c1ccc(C)cc1 ZINC001595252520 980220526 /nfs/dbraw/zinc/22/05/26/980220526.db2.gz GSKAKZDTFQEIRZ-QGZVFWFLSA-N -1 0 344.386 3.783 20 0 EHADRM C[C@](NC(=O)/C=C/Sc1ccccc1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593009821 980239749 /nfs/dbraw/zinc/23/97/49/980239749.db2.gz ZAOKGGIMCUPLHW-IENJSVCTSA-N -1 0 345.395 3.548 20 0 EHADRM CC[C@@](NC(=O)OCCC(C)C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595257597 980247732 /nfs/dbraw/zinc/24/77/32/980247732.db2.gz FPPVFHVIAWIGLG-INIZCTEOSA-N -1 0 327.808 3.802 20 0 EHADRM C[C@@H](NC(=O)C[C@@H]1CCCCC1(C)C)c1ccc(OCC(=O)[O-])cc1 ZINC001593014125 980252737 /nfs/dbraw/zinc/25/27/37/980252737.db2.gz DRBZQMRKQNPIPT-ZBFHGGJFSA-N -1 0 347.455 3.934 20 0 EHADRM O=C([O-])c1ccc(CN2CCC(C(F)F)CC2)cc1Br ZINC000901434243 980282716 /nfs/dbraw/zinc/28/27/16/980282716.db2.gz SHQUZAYSTYJPME-UHFFFAOYSA-N -1 0 348.187 3.624 20 0 EHADRM Cc1nc2ccccc2c(C)c1C(=O)NCCCCCCC(=O)[O-] ZINC000901436517 980285001 /nfs/dbraw/zinc/28/50/01/980285001.db2.gz UTPGONFKWBMNRW-UHFFFAOYSA-N -1 0 328.412 3.617 20 0 EHADRM Cc1nc(SCc2nc(=O)c3sccc3[n-]2)n(CC(C)C)c1C ZINC000005174427 1014645641 /nfs/dbraw/zinc/64/56/41/1014645641.db2.gz ZELRYEHMHQSUJA-UHFFFAOYSA-N -1 0 348.497 3.746 20 0 EHADRM COc1cc(Cl)c(CNc2cccc(CCC(=O)[O-])c2)cc1OC ZINC000901554823 980380576 /nfs/dbraw/zinc/38/05/76/980380576.db2.gz GAOXCKDPALHEIX-UHFFFAOYSA-N -1 0 349.814 3.987 20 0 EHADRM CC[C@@](NCc1csc(Cl)n1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595305280 980444480 /nfs/dbraw/zinc/44/44/80/980444480.db2.gz MWMGZJFKFWPSBU-AWEZNQCLSA-N -1 0 345.251 3.930 20 0 EHADRM CC[C@H](Nc1ccc(OC)c(NC(C)=O)c1)c1ccc(C(=O)[O-])cc1 ZINC001595318233 980499221 /nfs/dbraw/zinc/49/92/21/980499221.db2.gz IGVDWDNUMDYSHQ-INIZCTEOSA-N -1 0 342.395 3.915 20 0 EHADRM CC[C@H](OC(=O)Cc1c2ccc(C)cc2oc1C(C)=O)[C@@H](C)C(=O)[O-] ZINC001595339599 980613339 /nfs/dbraw/zinc/61/33/39/980613339.db2.gz DIVCPDIRMFLYLV-ABAIWWIYSA-N -1 0 346.379 3.529 20 0 EHADRM CC[C@H](OC(=O)c1ccc(Oc2ccccc2Cl)nc1)C(=O)[O-] ZINC001595352205 980666678 /nfs/dbraw/zinc/66/66/78/980666678.db2.gz UZJXJVXPRFSHIG-LBPRGKRZSA-N -1 0 335.743 3.547 20 0 EHADRM CC(C)Sc1cccc(Cl)c1CN1CCOC[C@@H]1CC(=O)[O-] ZINC000902001404 980678336 /nfs/dbraw/zinc/67/83/36/980678336.db2.gz GTPVRRJBBIPNBG-LBPRGKRZSA-N -1 0 343.876 3.516 20 0 EHADRM CC[C@@H](OC(=O)c1csc(Cc2ccc(C)cc2)n1)[C@@H](C)C(=O)[O-] ZINC001595353903 980686640 /nfs/dbraw/zinc/68/66/40/980686640.db2.gz LTULENHZSDGFPC-IUODEOHRSA-N -1 0 347.436 3.698 20 0 EHADRM CC1(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)CCC(F)(F)CC1 ZINC000902015055 980692361 /nfs/dbraw/zinc/69/23/61/980692361.db2.gz HBBUZXRKNJAMIV-KGLIPLIRSA-N -1 0 337.366 3.631 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC001595356617 980714477 /nfs/dbraw/zinc/71/44/77/980714477.db2.gz LSAYWZJBERBSSM-KRWDZBQOSA-N -1 0 327.380 3.798 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-] ZINC001595357438 980722117 /nfs/dbraw/zinc/72/21/17/980722117.db2.gz ZMXXUJHWDNYCCZ-JKSUJKDBSA-N -1 0 349.471 3.973 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)N[C@H](CC(C)(C)C)C(=O)[O-] ZINC001595357435 980722370 /nfs/dbraw/zinc/72/23/70/980722370.db2.gz ZMXXUJHWDNYCCZ-CVEARBPZSA-N -1 0 349.471 3.973 20 0 EHADRM CC[C@@H](SCc1ccc(C(=O)[O-])s1)C(=O)NCc1ccccc1 ZINC001595358162 980730007 /nfs/dbraw/zinc/73/00/07/980730007.db2.gz CGIXPOFKRVHVKT-CQSZACIVSA-N -1 0 349.477 3.775 20 0 EHADRM CCC(C)(C)NC(=O)c1ccc(NCc2cc(C)c(C(=O)[O-])o2)cc1 ZINC000902152648 980760099 /nfs/dbraw/zinc/76/00/99/980760099.db2.gz ZTGBVWMCWLTZKN-UHFFFAOYSA-N -1 0 344.411 3.817 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@H](C)c1ccsc1 ZINC001595361735 980764123 /nfs/dbraw/zinc/76/41/23/980764123.db2.gz NNAUVNRRDHGRBM-CJNGLKHVSA-N -1 0 331.437 3.916 20 0 EHADRM CCc1nc(CNCc2ccc(C(=O)[O-])cc2C(F)(F)F)cs1 ZINC000902232056 980792700 /nfs/dbraw/zinc/79/27/00/980792700.db2.gz AHSYHQVQGQNGMC-UHFFFAOYSA-N -1 0 344.358 3.712 20 0 EHADRM O=C([O-])CCC[C@H]1CCC[C@@H](Nc2ccc3c(c2)NC(=O)CC3)C1 ZINC000902261041 980805514 /nfs/dbraw/zinc/80/55/14/980805514.db2.gz HULVAYVLIZSYFO-UKRRQHHQSA-N -1 0 330.428 3.797 20 0 EHADRM CCc1ccc([C@H](COC)NCc2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC000902273203 980811931 /nfs/dbraw/zinc/81/19/31/980811931.db2.gz PJCPKCOZEOZECX-HNNXBMFYSA-N -1 0 337.803 3.671 20 0 EHADRM CCC1(C(=O)Nc2cc(C)c(C(=O)[O-])c(C)n2)CCC(F)(F)CC1 ZINC001595367854 980819579 /nfs/dbraw/zinc/81/95/79/980819579.db2.gz GNSYCFHEBREFJH-UHFFFAOYSA-N -1 0 340.370 3.941 20 0 EHADRM Cc1ccc(N[C@H]2CCC[C@@H](CCCC(=O)[O-])C2)cc1C(=O)N(C)C ZINC000902337788 980837909 /nfs/dbraw/zinc/83/79/09/980837909.db2.gz MJFJOXSCVTVCPP-HOTGVXAUSA-N -1 0 346.471 3.922 20 0 EHADRM CC[C@@]1(C)Oc2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2O1 ZINC001595372765 980865565 /nfs/dbraw/zinc/86/55/65/980865565.db2.gz UCJAUIKWFKWGHG-SFHVURJKSA-N -1 0 327.336 3.535 20 0 EHADRM Cc1ccccc1[C@@]1(F)CCN(Cc2ccc(/C=C\C(=O)[O-])o2)C1 ZINC000902453560 980894747 /nfs/dbraw/zinc/89/47/47/980894747.db2.gz RYTLEPGFKMQFKK-OLHLWXQYSA-N -1 0 329.371 3.757 20 0 EHADRM CC[C@H]1C[C@H](CC(=O)OCc2cc(C(=O)[O-])ccc2Cl)CCO1 ZINC001595413687 981016557 /nfs/dbraw/zinc/01/65/57/981016557.db2.gz QPRJHQVXPLVMEU-RISCZKNCSA-N -1 0 340.803 3.677 20 0 EHADRM CC(C)(C)c1nc(CN2CCC(c3ncc(C(=O)[O-])s3)CC2)co1 ZINC000903911932 981034154 /nfs/dbraw/zinc/03/41/54/981034154.db2.gz STXJYZIOMYAKGV-UHFFFAOYSA-N -1 0 349.456 3.506 20 0 EHADRM CCC1CCC(NC(=O)[C@@H]2C[C@H]2c2ccccc2C)(C(=O)[O-])CC1 ZINC001595421987 981040449 /nfs/dbraw/zinc/04/04/49/981040449.db2.gz BCZJFDAUOKVJPB-TWODHEICSA-N -1 0 329.440 3.638 20 0 EHADRM CC[C@@H]1CCC[C@@H](NC(=O)Nc2cc(C(=O)[O-])cnc2Cl)C1 ZINC001595432595 981058195 /nfs/dbraw/zinc/05/81/95/981058195.db2.gz VGBKMKYBMLVQDT-MWLCHTKSSA-N -1 0 325.796 3.524 20 0 EHADRM CC[C@@H]1CCC[C@@H]1C(=O)N[C@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC001595435174 981063403 /nfs/dbraw/zinc/06/34/03/981063403.db2.gz HJAUPQRDUYOIEJ-UHOFOFEASA-N -1 0 335.469 3.867 20 0 EHADRM CC[C@@H]1CCC[C@@H]1C(=O)N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001595435725 981066337 /nfs/dbraw/zinc/06/63/37/981066337.db2.gz MAIAKWQECITUHG-SWHYSGLUSA-N -1 0 343.345 3.774 20 0 EHADRM CC[C@@H]1CCC[C@H]1C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC001595435915 981066907 /nfs/dbraw/zinc/06/69/07/981066907.db2.gz NNPLWQLIWDYODD-RDTXWAMCSA-N -1 0 344.455 3.614 20 0 EHADRM CC[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001595444257 981086895 /nfs/dbraw/zinc/08/68/95/981086895.db2.gz LSZHBBDWQOBRSS-IUODEOHRSA-N -1 0 334.416 3.826 20 0 EHADRM C[C@H]1CC(C)(C)c2cccc(NC(=O)N3CCC(C(=O)[O-])CC3)c21 ZINC000905059171 981088633 /nfs/dbraw/zinc/08/86/33/981088633.db2.gz PSGLYLUQCWVBOJ-LBPRGKRZSA-N -1 0 330.428 3.800 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001595446587 981093227 /nfs/dbraw/zinc/09/32/27/981093227.db2.gz ADRJFUHHPRWGOH-ABAIWWIYSA-N -1 0 339.819 3.962 20 0 EHADRM CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001595446657 981093264 /nfs/dbraw/zinc/09/32/64/981093264.db2.gz ASDXYLUAPJQVHI-HZMBPMFUSA-N -1 0 341.354 3.587 20 0 EHADRM CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001595449046 981101728 /nfs/dbraw/zinc/10/17/28/981101728.db2.gz YVSMCFPXXXZAMN-WFASDCNBSA-N -1 0 337.391 3.756 20 0 EHADRM C[C@H](NCc1ccc(/C=C/C(=O)[O-])o1)c1cc(Cl)cc2c1OCC2 ZINC000905770666 981147614 /nfs/dbraw/zinc/14/76/14/981147614.db2.gz OQDIVXOEMDRTII-ZWNMCFTASA-N -1 0 347.798 3.817 20 0 EHADRM CC[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CCCO1 ZINC001595475076 981191309 /nfs/dbraw/zinc/19/13/09/981191309.db2.gz OFVRPEQODJXDNL-ZDUSSCGKSA-N -1 0 342.395 3.571 20 0 EHADRM CCC(C)(C)c1ccccc1C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-] ZINC000907654777 981204499 /nfs/dbraw/zinc/20/44/99/981204499.db2.gz CJZJFEXZIHMOTR-LBPRGKRZSA-N -1 0 331.334 3.510 20 0 EHADRM CC[C@@H]1CN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)CCCO1 ZINC001595490597 981242260 /nfs/dbraw/zinc/24/22/60/981242260.db2.gz DCMBLZQBFHOQSI-MRXNPFEDSA-N -1 0 346.452 3.509 20 0 EHADRM CC[C@@H]1Cc2ccccc2CN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001595499567 981264999 /nfs/dbraw/zinc/26/49/99/981264999.db2.gz LYYGZQWHQLMRLU-GOSISDBHSA-N -1 0 338.407 3.683 20 0 EHADRM CCCCC[C@H](C)CC(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC000908164023 981274477 /nfs/dbraw/zinc/27/44/77/981274477.db2.gz DHAMPUTVIOYOJX-CQDIZWNASA-N -1 0 341.517 3.838 20 0 EHADRM CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001595504274 981278079 /nfs/dbraw/zinc/27/80/79/981278079.db2.gz ITAVLNAUAIZSEV-AWEZNQCLSA-N -1 0 330.409 3.988 20 0 EHADRM CC/C=C(\F)C(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001595508149 981295356 /nfs/dbraw/zinc/29/53/56/981295356.db2.gz RQQUYOVTYBBVHH-YIEQYZEGSA-N -1 0 334.174 3.673 20 0 EHADRM CNc1ccc(Cl)c(C(=O)NCCCCC2(C(=O)[O-])CCC2)c1 ZINC000908327155 981298908 /nfs/dbraw/zinc/29/89/08/981298908.db2.gz AOMKSGTWYNUQBK-UHFFFAOYSA-N -1 0 338.835 3.537 20 0 EHADRM O=C(/C=C\c1ccc2[nH]ccc2c1)NCCCCC1(C(=O)[O-])CCC1 ZINC000908332501 981300474 /nfs/dbraw/zinc/30/04/74/981300474.db2.gz HYMDMGPUKZNUCU-ALCCZGGFSA-N -1 0 340.423 3.723 20 0 EHADRM COc1c(NC(=O)CCc2ccc(C)cc2C)cccc1C(=O)[O-] ZINC000908508372 981320158 /nfs/dbraw/zinc/32/01/58/981320158.db2.gz SQTLWZYUGQNGCA-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000908739836 981351105 /nfs/dbraw/zinc/35/11/05/981351105.db2.gz LUNQBLNTNONIRS-SFHVURJKSA-N -1 0 327.380 3.568 20 0 EHADRM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccoc1CC(=O)[O-] ZINC000908767420 981357647 /nfs/dbraw/zinc/35/76/47/981357647.db2.gz BXFVDNXOYBSQEV-RDJZCZTQSA-N -1 0 341.407 3.705 20 0 EHADRM CCCC(=O)Nc1cccc(NCc2cc(C)c(C(=O)[O-])o2)c1C ZINC001595531221 981365646 /nfs/dbraw/zinc/36/56/46/981365646.db2.gz FVIMQWZKKJETKU-UHFFFAOYSA-N -1 0 330.384 3.945 20 0 EHADRM CCC[C@@H](C(=O)N1CCC[C@H](c2ncc(C(=O)[O-])s2)C1)C(C)C ZINC001595532163 981371274 /nfs/dbraw/zinc/37/12/74/981371274.db2.gz FXDSLJHPFRNMBZ-QWHCGFSZSA-N -1 0 338.473 3.620 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)CCCc1nccs1 ZINC000908899667 981385720 /nfs/dbraw/zinc/38/57/20/981385720.db2.gz XUJBIGNPEYWAFF-UHFFFAOYSA-N -1 0 348.424 3.590 20 0 EHADRM CCC[C@@](C)(NC(=O)Nc1cccc(CC(=O)[O-])n1)c1ccccc1 ZINC001595547654 981421553 /nfs/dbraw/zinc/42/15/53/981421553.db2.gz XHYHVMZIEKUYTI-LJQANCHMSA-N -1 0 341.411 3.546 20 0 EHADRM CCSc1ccc(CC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000909134212 981424395 /nfs/dbraw/zinc/42/43/95/981424395.db2.gz NFUCVTQTEDKQLT-UHFFFAOYSA-N -1 0 343.448 3.698 20 0 EHADRM CCC[C@](C)(NC(=O)c1cccc(NCC(C)(C)C)c1C)C(=O)[O-] ZINC001595553057 981426399 /nfs/dbraw/zinc/42/63/99/981426399.db2.gz FTQHANDQWHIKNB-IBGZPJMESA-N -1 0 334.460 3.826 20 0 EHADRM CC(C)(CC(=O)N1CC[C@@](C)(C(=O)[O-])C1)Cc1ccc(Cl)cc1 ZINC000909300046 981464867 /nfs/dbraw/zinc/46/48/67/981464867.db2.gz WSBZQDMGLNIGFG-GOSISDBHSA-N -1 0 337.847 3.622 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccn2C(C)C)cc1 ZINC000909327335 981469492 /nfs/dbraw/zinc/46/94/92/981469492.db2.gz CHPNUWHNUFKCAG-HNNXBMFYSA-N -1 0 346.452 3.737 20 0 EHADRM Cc1cc2cc(NC(=O)C34CCC(C(=O)[O-])(CC3)CC4)ccc2[nH]1 ZINC000909396958 981483464 /nfs/dbraw/zinc/48/34/64/981483464.db2.gz LESFGWJFFRZGNZ-UHFFFAOYSA-N -1 0 326.396 3.840 20 0 EHADRM O=C([O-])C12CCC(C(=O)NCc3cccc4ccccc43)(CC1)CC2 ZINC000909409184 981486849 /nfs/dbraw/zinc/48/68/49/981486849.db2.gz VBRWXLOZNLOYRO-UHFFFAOYSA-N -1 0 337.419 3.881 20 0 EHADRM CCC[C@H](C)[C@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001595574154 981490955 /nfs/dbraw/zinc/49/09/55/981490955.db2.gz VVUZLLLWSIHRJF-SWLSCSKDSA-N -1 0 334.416 3.826 20 0 EHADRM C[C@H](CN(C(=O)c1csc(C2CCCCC2)n1)C1CC1)C(=O)[O-] ZINC000909458635 981499268 /nfs/dbraw/zinc/49/92/68/981499268.db2.gz SRHDCEDQGPSWNF-LLVKDONJSA-N -1 0 336.457 3.516 20 0 EHADRM CC1(C)C[C@H](C(=O)NCCCCCCCC(=O)[O-])c2ccccc2O1 ZINC000909466109 981502358 /nfs/dbraw/zinc/50/23/58/981502358.db2.gz INQWWGQPNZXSCF-INIZCTEOSA-N -1 0 347.455 3.873 20 0 EHADRM CCC[C@@H](C)c1cc(NC(=O)Nc2ccc(CC(=O)[O-])cc2)n[nH]1 ZINC001595579180 981506238 /nfs/dbraw/zinc/50/62/38/981506238.db2.gz LTLFLYCHKITFSV-LLVKDONJSA-N -1 0 330.388 3.584 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cccc(C3CCC3)c2)C1 ZINC000909489383 981508019 /nfs/dbraw/zinc/50/80/19/981508019.db2.gz DYZVAWIYTIMKIH-KRWDZBQOSA-N -1 0 329.440 3.917 20 0 EHADRM CCC[C@@H](CC)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001595585945 981527969 /nfs/dbraw/zinc/52/79/69/981527969.db2.gz JTQRWUITCWTBOX-SNVBAGLBSA-N -1 0 329.343 3.794 20 0 EHADRM CCC[C@H](CC)C(=O)N[C@@H](C(=O)[O-])c1ccccc1Br ZINC001595586359 981531974 /nfs/dbraw/zinc/53/19/74/981531974.db2.gz XIAXEJKSKBVUEF-GXFFZTMASA-N -1 0 342.233 3.517 20 0 EHADRM CCC[C@@H](CC)C(=O)N[C@H](C(=O)[O-])c1ccccc1Br ZINC001595586360 981532096 /nfs/dbraw/zinc/53/20/96/981532096.db2.gz XIAXEJKSKBVUEF-MFKMUULPSA-N -1 0 342.233 3.517 20 0 EHADRM CCC[C@@H](CC1CCCCC1)C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001595587853 981544695 /nfs/dbraw/zinc/54/46/95/981544695.db2.gz YGKRRVDUTLEOMH-HNNXBMFYSA-N -1 0 335.448 3.601 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C[C@H]2C=CCCC2)C[C@H]1c1ccc(Cl)cc1 ZINC000909629137 981557008 /nfs/dbraw/zinc/55/70/08/981557008.db2.gz RYEMINNFIJLNNX-RRQGHBQHSA-N -1 0 347.842 3.713 20 0 EHADRM CCC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001595593487 981557207 /nfs/dbraw/zinc/55/72/07/981557207.db2.gz AYTVWIXZENGLHI-QGZVFWFLSA-N -1 0 326.396 3.918 20 0 EHADRM CCC[C@H](NC(=O)N1CCc2c(cccc2C(=O)[O-])C1)C1CCCC1 ZINC001595598585 981568444 /nfs/dbraw/zinc/56/84/44/981568444.db2.gz LQTRVWICXHUMPI-SFHVURJKSA-N -1 0 344.455 3.811 20 0 EHADRM CCC[C@H](NC(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1)C(C)(C)C ZINC001595599054 981570070 /nfs/dbraw/zinc/57/00/70/981570070.db2.gz SGSFDBZXLDNWOI-JXFKEZNVSA-N -1 0 346.471 3.639 20 0 EHADRM CCC[C@@H](NC(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1)C(C)(C)C ZINC001595599057 981570213 /nfs/dbraw/zinc/57/02/13/981570213.db2.gz SGSFDBZXLDNWOI-UZLBHIALSA-N -1 0 346.471 3.639 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N[C@@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC001594749103 981647673 /nfs/dbraw/zinc/64/76/73/981647673.db2.gz UMSQPGSYGSMUES-SWLSCSKDSA-N -1 0 345.370 3.906 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C2(C3CCCCC3)CC2)C[C@@H]1c1ccccc1 ZINC000909831888 981649495 /nfs/dbraw/zinc/64/94/95/981649495.db2.gz YNOMMMSNNNJNJO-QZTJIDSGSA-N -1 0 341.451 3.674 20 0 EHADRM CCCC1(CNC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CCC1 ZINC001595617211 981650463 /nfs/dbraw/zinc/65/04/63/981650463.db2.gz UZDNDDXOQOPEHC-JKSUJKDBSA-N -1 0 330.428 3.967 20 0 EHADRM CCC[C@H]1[C@@H](C)CCCN1C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001595620037 981684905 /nfs/dbraw/zinc/68/49/05/981684905.db2.gz VFCSKMXYPGIBOA-NHYWBVRUSA-N -1 0 344.415 3.694 20 0 EHADRM CCC[C@@H]1C[C@@H](C(=O)O[C@@H](C(=O)[O-])c2ccc(Cl)cc2)CCO1 ZINC001595620363 981688546 /nfs/dbraw/zinc/68/85/46/981688546.db2.gz FMRNQFMNKZSJON-NWANDNLSSA-N -1 0 340.803 3.604 20 0 EHADRM CCCC1CCC(NC(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)CC1 ZINC001595620626 981691776 /nfs/dbraw/zinc/69/17/76/981691776.db2.gz NPHPVQMWOBEFMM-LEPAWZOPSA-N -1 0 336.476 3.632 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC001594762045 981696607 /nfs/dbraw/zinc/69/66/07/981696607.db2.gz ODSIPOPLYOUPFV-SSDOTTSWSA-N -1 0 337.775 3.747 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1nc(-c2ccc3c(c2)CCC3)c(C)s1 ZINC001594762318 981697725 /nfs/dbraw/zinc/69/77/25/981697725.db2.gz TYSDCYOZENFBJK-CQSZACIVSA-N -1 0 344.436 3.657 20 0 EHADRM CCC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001595621464 981700050 /nfs/dbraw/zinc/70/00/50/981700050.db2.gz IQHGEELLHOHYSS-WFASDCNBSA-N -1 0 334.416 3.874 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N[C@@H](CC1CCCC1)c1ccccc1 ZINC000910019033 981735888 /nfs/dbraw/zinc/73/58/88/981735888.db2.gz XAZQVDPULOTBPV-KRWDZBQOSA-N -1 0 341.407 3.958 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1cccc2cccnc21)c1ccccc1 ZINC001594771143 981745922 /nfs/dbraw/zinc/74/59/22/981745922.db2.gz PRPVQQVWIIQCBP-QGZVFWFLSA-N -1 0 334.375 3.745 20 0 EHADRM CC[C@@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(F)cc1 ZINC001594774319 981751696 /nfs/dbraw/zinc/75/16/96/981751696.db2.gz CPGBGIXFXZSCKT-HZPDHXFCSA-N -1 0 334.318 3.828 20 0 EHADRM CCC1(C(=O)Nc2cc(Br)cc(C(=O)[O-])c2C)CC1 ZINC000910079873 981754554 /nfs/dbraw/zinc/75/45/54/981754554.db2.gz QBYYUONAUCSJST-UHFFFAOYSA-N -1 0 326.190 3.584 20 0 EHADRM CSc1cc(C(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)c(C)o1 ZINC000910099012 981758852 /nfs/dbraw/zinc/75/88/52/981758852.db2.gz PSLDFMVAQRUEBZ-GJZGRUSLSA-N -1 0 345.420 3.740 20 0 EHADRM CC[C@@H](C(=O)O[C@@H](C(=O)[O-])C1CC1)c1cccc(C(F)(F)F)c1 ZINC001594775826 981761781 /nfs/dbraw/zinc/76/17/81/981761781.db2.gz XGNNVJJKNUGCJG-CHWSQXEVSA-N -1 0 330.302 3.605 20 0 EHADRM CCCC[C@H](C(=O)NC[C@@](CC)(C(=O)[O-])c1ccccc1)C(C)C ZINC001595627497 981773297 /nfs/dbraw/zinc/77/32/97/981773297.db2.gz HXGSWGPPNLJXHI-FXAWDEMLSA-N -1 0 333.472 3.998 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)COc1ccc(C(C)C)cc1 ZINC001594783694 981796077 /nfs/dbraw/zinc/79/60/77/981796077.db2.gz ZILPFKMAFUGHGN-FQEVSTJZSA-N -1 0 347.455 3.681 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1cscc1C(F)F)C1CCCCC1 ZINC000910233180 981796574 /nfs/dbraw/zinc/79/65/74/981796574.db2.gz ZROPDFZVNDVBDB-SNVBAGLBSA-N -1 0 331.384 3.697 20 0 EHADRM CCCC[C@](C)(F)C(=O)Oc1ccc(C(=O)[O-])cc1Br ZINC001595630426 981820869 /nfs/dbraw/zinc/82/08/69/981820869.db2.gz FOFYGYJAHFGDLB-AWEZNQCLSA-N -1 0 347.180 3.971 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cc(C2CC2)[nH]c1C1CC1 ZINC001594791369 981850393 /nfs/dbraw/zinc/85/03/93/981850393.db2.gz ISPJAYUNNFKGJJ-FQEVSTJZSA-N -1 0 344.455 3.875 20 0 EHADRM CCC(C)(C)C(=O)C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001594791926 981855304 /nfs/dbraw/zinc/85/53/04/981855304.db2.gz RUWJGXXMDFNBOT-OAHLLOKOSA-N -1 0 347.455 3.621 20 0 EHADRM Cc1nc(N[C@@H](C)c2nc(C(F)(F)F)cs2)ccc1C(=O)[O-] ZINC000910299565 981855474 /nfs/dbraw/zinc/85/54/74/981855474.db2.gz PWTQAXKKWJMSSD-ZETCQYMHSA-N -1 0 331.319 3.737 20 0 EHADRM CCC(C)(C)C1CCC(Nc2cc(C)nc3nc(C(=O)[O-])nn32)CC1 ZINC001594796546 981877700 /nfs/dbraw/zinc/87/77/00/981877700.db2.gz CWEKBLUBPJMLAA-UHFFFAOYSA-N -1 0 345.447 3.538 20 0 EHADRM CCCC[C@H](CCC)NC(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC001595633888 981878238 /nfs/dbraw/zinc/87/82/38/981878238.db2.gz YUPLVSILXSDWBI-NSHDSACASA-N -1 0 327.450 3.641 20 0 EHADRM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N[C@H](CCF)C(=O)[O-])CC1 ZINC001594797079 981883959 /nfs/dbraw/zinc/88/39/59/981883959.db2.gz UAAHJTSJZFDLQJ-OOWFEOPPSA-N -1 0 327.440 3.548 20 0 EHADRM CCCC[C@@H](NC(=O)C1(c2ccccc2OC)CCCCC1)C(=O)[O-] ZINC001595634294 981885188 /nfs/dbraw/zinc/88/51/88/981885188.db2.gz DANYYWXJBQXZEN-MRXNPFEDSA-N -1 0 347.455 3.657 20 0 EHADRM CCCC[C@H](NC(=O)/C=C\c1csc(C(F)(F)F)c1)C(=O)[O-] ZINC001595634651 981891780 /nfs/dbraw/zinc/89/17/80/981891780.db2.gz LKWZCUUMJBGTLN-OMMCCPJFSA-N -1 0 335.347 3.540 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)Cc2cccc(C(F)F)c2)c2ccccc21 ZINC000910366432 981896396 /nfs/dbraw/zinc/89/63/96/981896396.db2.gz CMRQKNRBONVVJU-CQSZACIVSA-N -1 0 345.345 3.772 20 0 EHADRM CCC(C)(C)CC(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001594809475 981927088 /nfs/dbraw/zinc/92/70/88/981927088.db2.gz UWVJPZUVNYGNQJ-QGZVFWFLSA-N -1 0 325.836 3.668 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Cc1c[nH]c2ccc(Cl)cc12)C1CCCC1 ZINC000910564950 981991458 /nfs/dbraw/zinc/99/14/58/981991458.db2.gz QUHZAALVLKDHDL-INIZCTEOSA-N -1 0 348.830 3.514 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cccc(Cl)c1Cl)C1CCCC1 ZINC000910569501 981995821 /nfs/dbraw/zinc/99/58/21/981995821.db2.gz XJNVJLCOYWZYEV-LBPRGKRZSA-N -1 0 330.211 3.757 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N[C@@H](C)c1cccc(SC(F)(F)F)c1 ZINC000910569224 981995992 /nfs/dbraw/zinc/99/59/92/981995992.db2.gz ORQUFZHRFQQIGU-IUCAKERBSA-N -1 0 335.347 3.587 20 0 EHADRM CCCC[C@H](S[C@@H](CC)C(=O)Nc1ccc(OC)cc1)C(=O)[O-] ZINC001595651709 982025297 /nfs/dbraw/zinc/02/52/97/982025297.db2.gz JSHQHXJYZAQZGT-GJZGRUSLSA-N -1 0 339.457 3.789 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)Nc1nc2c(s1)CCCCC2 ZINC000910632805 982035315 /nfs/dbraw/zinc/03/53/15/982035315.db2.gz XCZFFKJKTWFKMX-UHFFFAOYSA-N -1 0 344.436 3.682 20 0 EHADRM CCCC[C@H](S[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1)C(=O)[O-] ZINC001595652680 982036219 /nfs/dbraw/zinc/03/62/19/982036219.db2.gz WFVWDQCKLJWVAO-WFASDCNBSA-N -1 0 337.441 3.593 20 0 EHADRM CCCC[C@@H](SCC(=O)Nc1cc(Cl)ccc1F)C(=O)[O-] ZINC001595654843 982041976 /nfs/dbraw/zinc/04/19/76/982041976.db2.gz FSLKHMJRQWCVHR-GFCCVEGCSA-N -1 0 333.812 3.794 20 0 EHADRM CCCC[C@@H](SCc1cc(=O)oc2cc(OC)ccc12)C(=O)[O-] ZINC001595656500 982053434 /nfs/dbraw/zinc/05/34/34/982053434.db2.gz ZCFVZVIEASHZJR-OAHLLOKOSA-N -1 0 336.409 3.678 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1cc(C)c(C(=O)[O-])cn1)c1ccc(F)cc1 ZINC001594841467 982054277 /nfs/dbraw/zinc/05/42/77/982054277.db2.gz IQIPCTUGNKIDEF-GOSISDBHSA-N -1 0 345.374 3.674 20 0 EHADRM CCSCc1cccnc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000910682685 982059758 /nfs/dbraw/zinc/05/97/58/982059758.db2.gz ADLBPERGJYEURX-UHFFFAOYSA-N -1 0 344.436 3.604 20 0 EHADRM Cc1cccc(O[C@H](C)C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)c1 ZINC000910697356 982067959 /nfs/dbraw/zinc/06/79/59/982067959.db2.gz SUAMCQPWVFACRM-LLVKDONJSA-N -1 0 348.424 3.679 20 0 EHADRM CC[C@](C)(NC(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)[O-] ZINC001594846891 982070720 /nfs/dbraw/zinc/07/07/20/982070720.db2.gz SUVNEBKKNMWEMF-SFHVURJKSA-N -1 0 331.343 3.601 20 0 EHADRM Cc1ccc(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)c(C2CC2)n1 ZINC000910705858 982075878 /nfs/dbraw/zinc/07/58/78/982075878.db2.gz MRJXKXBAOLQCQZ-UHFFFAOYSA-N -1 0 345.424 3.798 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)C2CCC3(CC3)CC2)nc1C(=O)[O-] ZINC000910717107 982079245 /nfs/dbraw/zinc/07/92/45/982079245.db2.gz BWMIRGHSEMWQOV-CYBMUJFWSA-N -1 0 348.468 3.784 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)/C=C2/CC[C@@H](C)C2)nc1C(=O)[O-] ZINC000910720390 982082701 /nfs/dbraw/zinc/08/27/01/982082701.db2.gz GPYLMNNCYOYMSW-WLDYEDAMSA-N -1 0 334.441 3.560 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)c2ccc(C)cc2C)nc1C(=O)[O-] ZINC000910723499 982086363 /nfs/dbraw/zinc/08/63/63/982086363.db2.gz PUFBTSFFCZGGRS-CQSZACIVSA-N -1 0 344.436 3.744 20 0 EHADRM O=C([O-])c1nc(NC(=O)c2ccc(C3CC3)cc2)sc1C1CC1 ZINC000910740769 982102137 /nfs/dbraw/zinc/10/21/37/982102137.db2.gz AMXDAVKGNJCLTI-UHFFFAOYSA-N -1 0 328.393 3.848 20 0 EHADRM O=C([O-])c1nc(NC(=O)Cc2cccc(C3CC3)c2)sc1C1CC1 ZINC000910742714 982106649 /nfs/dbraw/zinc/10/66/49/982106649.db2.gz SRHORWONBKLKCT-UHFFFAOYSA-N -1 0 342.420 3.777 20 0 EHADRM CCCCC[C@@H](NC(=O)[C@H](C)Oc1cccc(C(C)C)c1)C(=O)[O-] ZINC001595668905 982111485 /nfs/dbraw/zinc/11/14/85/982111485.db2.gz DLPGHFXJGRVBAN-WMLDXEAASA-N -1 0 335.444 3.727 20 0 EHADRM CCCCC[C@@H](NC(=O)Cc1scnc1-c1ccccc1)C(=O)[O-] ZINC001595672239 982132197 /nfs/dbraw/zinc/13/21/97/982132197.db2.gz HHLUTDKAZMTEOW-CQSZACIVSA-N -1 0 346.452 3.502 20 0 EHADRM O=C([O-])CC1CC(NC(=O)c2occc2CSc2ccccc2)C1 ZINC000910812875 982133460 /nfs/dbraw/zinc/13/34/60/982133460.db2.gz OVNMFWHMKBHGDI-UHFFFAOYSA-N -1 0 345.420 3.555 20 0 EHADRM CCCCC[C@H](NC(=O)[C@H]1CCC[C@H]1Cc1ccccc1)C(=O)[O-] ZINC001595673204 982139601 /nfs/dbraw/zinc/13/96/01/982139601.db2.gz WDMIOCOPIGZEEA-BZSNNMDCSA-N -1 0 331.456 3.795 20 0 EHADRM CC[C@H]1C[C@@H](CC(=O)Nc2ccc(SC)c(C(=O)[O-])c2)CCO1 ZINC000910947282 982171741 /nfs/dbraw/zinc/17/17/41/982171741.db2.gz BRPHGQZLQCRZFG-AAEUAGOBSA-N -1 0 337.441 3.641 20 0 EHADRM CSc1ccc(NC(=O)c2cnc(C(C)C)s2)cc1C(=O)[O-] ZINC000910947309 982172553 /nfs/dbraw/zinc/17/25/53/982172553.db2.gz CVKQYPMUPFWLFW-UHFFFAOYSA-N -1 0 336.438 3.939 20 0 EHADRM CSc1ccc(NC(=O)c2noc3c2CCCCC3)cc1C(=O)[O-] ZINC000910947716 982172608 /nfs/dbraw/zinc/17/26/08/982172608.db2.gz KMIHROCZLPZUEE-UHFFFAOYSA-N -1 0 346.408 3.616 20 0 EHADRM CC[C@H](C)[C@H](C(=O)N(C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001594866281 982174350 /nfs/dbraw/zinc/17/43/50/982174350.db2.gz QLIHZIWKKFLHEU-FZMZJTMJSA-N -1 0 332.425 3.634 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCC[C@]1(C)Cc1ccc(Cl)s1 ZINC000911062993 982220547 /nfs/dbraw/zinc/22/05/47/982220547.db2.gz QXZDDRZQMPVKDC-MEDUHNTESA-N -1 0 343.876 3.826 20 0 EHADRM COc1ccc([C@H](NC(=O)c2oc(C(=O)[O-])cc2C)C2CCC2)cc1 ZINC000911063413 982221961 /nfs/dbraw/zinc/22/19/61/982221961.db2.gz VQASOLBJPDFDRV-MRXNPFEDSA-N -1 0 343.379 3.566 20 0 EHADRM CCc1c(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)cnn1C1CCCC1 ZINC000911070239 982224661 /nfs/dbraw/zinc/22/46/61/982224661.db2.gz ASVSCZDGWXEWKD-UHFFFAOYSA-N -1 0 341.411 3.820 20 0 EHADRM Cc1cc(NC(=O)[C@H](C)[C@H]2OCCc3sccc32)cc(C(=O)[O-])c1 ZINC000911073672 982227123 /nfs/dbraw/zinc/22/71/23/982227123.db2.gz STNVEKJIGLPFPI-BDJLRTHQSA-N -1 0 345.420 3.643 20 0 EHADRM CCCCCC[C@H](C)CC(=O)N[C@@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC001595696968 982235838 /nfs/dbraw/zinc/23/58/38/982235838.db2.gz GPLXVUWFSDCNID-IFXJQAMLSA-N -1 0 347.455 3.860 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000911211560 982287030 /nfs/dbraw/zinc/28/70/30/982287030.db2.gz DJNAFSCBFLPZIX-UHFFFAOYSA-N -1 0 338.407 3.556 20 0 EHADRM CCCCCCO[C@H](C)C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC001595711630 982301600 /nfs/dbraw/zinc/30/16/00/982301600.db2.gz ZSEDWNJAQKQTLV-LLVKDONJSA-N -1 0 342.461 3.889 20 0 EHADRM CC[C@H](C)CC(=O)N(Cc1ccoc1C(=O)[O-])[C@H](C)c1ccccn1 ZINC000911327414 982352070 /nfs/dbraw/zinc/35/20/70/982352070.db2.gz FKMZZTHDKYTOIH-UONOGXRCSA-N -1 0 344.411 3.899 20 0 EHADRM CC[C@H](C)C(=O)N(Cc1ccoc1C(=O)[O-])[C@H](C)c1ccccn1 ZINC000911330268 982355098 /nfs/dbraw/zinc/35/50/98/982355098.db2.gz HALICPCKCRAHAR-QWHCGFSZSA-N -1 0 330.384 3.509 20 0 EHADRM CCCCN(C(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccc(Cl)nc1 ZINC001595732205 982368260 /nfs/dbraw/zinc/36/82/60/982368260.db2.gz SLELZUMUDPZEBH-RMKNXTFCSA-N -1 0 348.786 3.873 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1cc(C)c(-c2ccccc2)s1)C(=O)[O-] ZINC001594912825 982426207 /nfs/dbraw/zinc/42/62/07/982426207.db2.gz VJMGHFBMNYWNQJ-NHYWBVRUSA-N -1 0 331.437 3.953 20 0 EHADRM CCCCOc1ccc(CNc2cncc(C(=O)[O-])n2)cc1Cl ZINC001595775655 982539799 /nfs/dbraw/zinc/53/97/99/982539799.db2.gz PJOMTTPQIORRTB-UHFFFAOYSA-N -1 0 335.791 3.619 20 0 EHADRM CCCCOc1ccc(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc1 ZINC001595776568 982543359 /nfs/dbraw/zinc/54/33/59/982543359.db2.gz FRDRITNZEBXLON-OXQOHEQNSA-N -1 0 345.439 3.583 20 0 EHADRM CCCCOc1ccccc1NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001595780746 982553045 /nfs/dbraw/zinc/55/30/45/982553045.db2.gz GBAIWVOCYWVRLT-PKNBQFBNSA-N -1 0 329.352 3.809 20 0 EHADRM CCCCOc1ccc(OC)cc1NCc1cc(C(=O)[O-])n(C)c1 ZINC001595781128 982560058 /nfs/dbraw/zinc/56/00/58/982560058.db2.gz YAZXNUAYCATVJZ-UHFFFAOYSA-N -1 0 332.400 3.523 20 0 EHADRM CCCCS[C@H](C)C(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)c2ccccc21 ZINC001595785675 982570842 /nfs/dbraw/zinc/57/08/42/982570842.db2.gz FAMFAZLGLYVJHA-KSMMKXTCSA-N -1 0 349.496 3.902 20 0 EHADRM CCCc1sc(C(=O)N[C@@H](CC(=O)[O-])c2ccncc2)cc1CC ZINC000911658003 982586020 /nfs/dbraw/zinc/58/60/20/982586020.db2.gz DBLYKDGVPVICNN-AWEZNQCLSA-N -1 0 346.452 3.604 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)[C@@H](C)c1cccc(CC(C)C)c1)C(=O)[O-] ZINC001594935884 982589519 /nfs/dbraw/zinc/58/95/19/982589519.db2.gz CEOSPDMLNQORGH-MPGHIAIKSA-N -1 0 333.472 3.994 20 0 EHADRM CCCCc1ccc(NC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)cc1 ZINC001595796616 982602886 /nfs/dbraw/zinc/60/28/86/982602886.db2.gz PPAMZQJNOSSOQQ-SRABZTEZSA-N -1 0 330.428 3.650 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)CCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC001594938011 982604119 /nfs/dbraw/zinc/60/41/19/982604119.db2.gz CQSAXNGPLFWJGE-YGRLFVJLSA-N -1 0 346.254 3.932 20 0 EHADRM CCCN(C(=O)c1ccc([C@H](C)C(F)(F)F)cc1)[C@@H](C)C(=O)[O-] ZINC000911706016 982606643 /nfs/dbraw/zinc/60/66/43/982606643.db2.gz FSCCKQNZNWLGMU-QWRGUYRKSA-N -1 0 331.334 3.678 20 0 EHADRM CCCCc1nc(C)c(CC(=O)Nc2ccc(C(=O)[O-])s2)s1 ZINC001595797560 982607469 /nfs/dbraw/zinc/60/74/69/982607469.db2.gz PCQGIAKOANRJIW-UHFFFAOYSA-N -1 0 338.454 3.735 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)/C=C\c1ccc(F)c2ccccc12)C(=O)[O-] ZINC001594940162 982612643 /nfs/dbraw/zinc/61/26/43/982612643.db2.gz YADXNDXYUMHCJM-FGBVSGJTSA-N -1 0 343.398 3.998 20 0 EHADRM CCCCc1nc(C[S@](=O)Cc2ccccc2C(=O)[O-])cs1 ZINC001595799421 982613002 /nfs/dbraw/zinc/61/30/02/982613002.db2.gz PRXSJXRSSKBEER-JOCHJYFZSA-N -1 0 337.466 3.633 20 0 EHADRM CCc1oc(C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)cc1C ZINC000911737730 982619784 /nfs/dbraw/zinc/61/97/84/982619784.db2.gz IEXLNZUQAOWRAT-UHFFFAOYSA-N -1 0 331.368 3.888 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)c1cc(-c2ccccc2)oc1C)C(=O)[O-] ZINC001594944448 982626944 /nfs/dbraw/zinc/62/69/44/982626944.db2.gz FJBJCDYSBQECEL-BLLLJJGKSA-N -1 0 329.396 3.874 20 0 EHADRM O=C([O-])c1cc(NC(=O)/C=C\c2nc3ccccc3s2)ccc1F ZINC000914729562 982655470 /nfs/dbraw/zinc/65/54/70/982655470.db2.gz LGOZDWZHANQCIT-FPLPWBNLSA-N -1 0 342.351 3.786 20 0 EHADRM CCCCN(C(=O)N=c1[n-]nc(Cc2ccc(C)cc2)s1)C1CC1 ZINC000520856474 1014865575 /nfs/dbraw/zinc/86/55/75/1014865575.db2.gz GUJNGNYGXPVVAW-UHFFFAOYSA-N -1 0 344.484 3.656 20 0 EHADRM CCCN(C(=O)[C@H](CC)c1cccc(C(F)(F)F)c1)[C@H](C)C(=O)[O-] ZINC001595814579 982660278 /nfs/dbraw/zinc/66/02/78/982660278.db2.gz SXHMBWQBSBPJIO-BXUZGUMPSA-N -1 0 345.361 3.911 20 0 EHADRM CCCN(C(=O)[C@@H](OCC1CCCC1)c1ccccc1)[C@@H](C)C(=O)[O-] ZINC001595814819 982662336 /nfs/dbraw/zinc/66/23/36/982662336.db2.gz VJIVXLVVENDRLS-YJBOKZPZSA-N -1 0 347.455 3.646 20 0 EHADRM CCCN(C(=O)CCC[C@H](C)c1cccc(OC)c1)[C@@H](C)C(=O)[O-] ZINC001595817163 982679137 /nfs/dbraw/zinc/67/91/37/982679137.db2.gz OURNERNPFAJIRZ-GJZGRUSLSA-N -1 0 335.444 3.681 20 0 EHADRM CC[C@@H](C)C[C@H](Nc1nn2cc(C3CCCC3)nc2s1)C(=O)[O-] ZINC001594953427 982680172 /nfs/dbraw/zinc/68/01/72/982680172.db2.gz SGLYXBHRAXMZFG-PWSUYJOCSA-N -1 0 336.461 3.750 20 0 EHADRM CC[C@@H](C)CCC(=O)N[C@@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC001594956126 982687442 /nfs/dbraw/zinc/68/74/42/982687442.db2.gz BKJAETIMXRMWEI-QMTHXVAHSA-N -1 0 347.333 3.653 20 0 EHADRM CC[C@H](C)CCC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001594956197 982688118 /nfs/dbraw/zinc/68/81/18/982688118.db2.gz BVXOIFJMLDSMPY-VIFPVBQESA-N -1 0 328.206 3.912 20 0 EHADRM CC[C@@H](C)CCC(=O)N[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC001594957805 982693247 /nfs/dbraw/zinc/69/32/47/982693247.db2.gz NIIYWGAQHJIJKF-QMTHXVAHSA-N -1 0 342.233 3.517 20 0 EHADRM CC[C@H](C)CCCCC(=O)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001594958479 982697522 /nfs/dbraw/zinc/69/75/22/982697522.db2.gz BYUSIHORFZDYAI-QWHCGFSZSA-N -1 0 338.473 3.764 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1ccsc1C(F)F)c1ccccc1 ZINC000923061670 982701330 /nfs/dbraw/zinc/70/13/30/982701330.db2.gz JPCOHTMGWWAWSU-CABZTGNLSA-N -1 0 339.363 3.878 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000923127979 982744932 /nfs/dbraw/zinc/74/49/32/982744932.db2.gz JCZMIYSRGNVWBZ-APPZFPTMSA-N -1 0 344.219 3.801 20 0 EHADRM CCCN(C)c1ccc(C(=O)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC001595840214 982759899 /nfs/dbraw/zinc/75/98/99/982759899.db2.gz TZROWDCUWYIZCC-UHFFFAOYSA-N -1 0 326.396 3.792 20 0 EHADRM Cc1c2occ(CC(=O)N3CC[C@@H](C(=O)[O-])C[C@H]3C)c2ccc1Cl ZINC000923153136 982766173 /nfs/dbraw/zinc/76/61/73/982766173.db2.gz QITCNWFONQKOPK-ZYHUDNBSSA-N -1 0 349.814 3.649 20 0 EHADRM CCCN(CC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001595846270 982772195 /nfs/dbraw/zinc/77/21/95/982772195.db2.gz PKWVRTIHJIVDEG-UHFFFAOYSA-N -1 0 346.814 3.893 20 0 EHADRM CC[C@@H](C)N1C(=O)N[C@@H](c2ccc3occc3c2)C(C(=O)[O-])=C1C ZINC001594985227 982798630 /nfs/dbraw/zinc/79/86/30/982798630.db2.gz KJBAVNWPTNOLLJ-HWPZZCPQSA-N -1 0 328.368 3.656 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CC(=O)NC2(CCC(=O)[O-])CCCCC2)CCO1 ZINC000923217722 982848934 /nfs/dbraw/zinc/84/89/34/982848934.db2.gz HUBLEAYLITUZGF-HOTGVXAUSA-N -1 0 339.476 3.512 20 0 EHADRM CCCN(CCC)C(=O)c1ccc(N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC001595872668 982859053 /nfs/dbraw/zinc/85/90/53/982859053.db2.gz DKAZMYYBPUNVCM-DOTOQJQBSA-N -1 0 332.444 3.614 20 0 EHADRM CC[C@@H](C)Oc1cc(C(=O)Nc2sc(C)cc2C(=O)[O-])ccn1 ZINC001594996735 982901627 /nfs/dbraw/zinc/90/16/27/982901627.db2.gz OPFTYRHVAMMEKV-SECBINFHSA-N -1 0 334.397 3.579 20 0 EHADRM CC[C@H](C)Oc1cc(N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)nc(C)n1 ZINC001594999724 982910258 /nfs/dbraw/zinc/91/02/58/982910258.db2.gz OSFLVNSCOSYILX-XZJROXQQSA-N -1 0 341.411 3.687 20 0 EHADRM CC[C@H](C)Oc1ccc(-c2noc(-c3cccc(C(=O)[O-])n3)n2)cc1 ZINC001594999990 982911082 /nfs/dbraw/zinc/91/10/82/982911082.db2.gz RAMXQSIZEAATQD-NSHDSACASA-N -1 0 339.351 3.674 20 0 EHADRM Cc1cc(CN2CCO[C@H](c3ccc(Cl)s3)C2)oc1C(=O)[O-] ZINC001118254258 982948176 /nfs/dbraw/zinc/94/81/76/982948176.db2.gz SIFQOEMNXDUTQX-NSHDSACASA-N -1 0 341.816 3.575 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2F)o1 ZINC001118975074 982972101 /nfs/dbraw/zinc/97/21/01/982972101.db2.gz LYWUYKAELPXNPF-ZDUSSCGKSA-N -1 0 335.306 3.623 20 0 EHADRM CCCNC(=O)c1ccccc1NCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001595931204 983061392 /nfs/dbraw/zinc/06/13/92/983061392.db2.gz CZEZAKBPPRBYJJ-UHFFFAOYSA-N -1 0 346.814 3.790 20 0 EHADRM CCCNc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001595936773 983079058 /nfs/dbraw/zinc/07/90/58/983079058.db2.gz ORMDJHYHXNPJFY-NEPJUHHUSA-N -1 0 338.835 3.991 20 0 EHADRM CCCOc1ccc(NC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)c(C)c1 ZINC001595960679 983153717 /nfs/dbraw/zinc/15/37/17/983153717.db2.gz OFNAWMYCGZOBGK-KGLIPLIRSA-N -1 0 334.416 3.549 20 0 EHADRM CCCOc1ccccc1NC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001595969844 983192494 /nfs/dbraw/zinc/19/24/94/983192494.db2.gz RJDPXEFUUICLQK-SNVBAGLBSA-N -1 0 349.412 3.513 20 0 EHADRM CCCOc1ccccc1NC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001595969857 983192801 /nfs/dbraw/zinc/19/28/01/983192801.db2.gz RWJKOVUPIKXXIR-UHFFFAOYSA-N -1 0 334.397 3.557 20 0 EHADRM CCC[C@H](NC(=O)c1ccc(-c2cccc3cccnc32)cc1)C(=O)[O-] ZINC001596020305 983283701 /nfs/dbraw/zinc/28/37/01/983283701.db2.gz UGHXMOQORCXXJS-SFHVURJKSA-N -1 0 348.402 3.885 20 0 EHADRM CCCc1c(C(=O)N2CC(C)(C)CC(C)(C)C2)[nH]c(C)c1C(=O)[O-] ZINC001596030263 983298199 /nfs/dbraw/zinc/29/81/99/983298199.db2.gz HRNDSELMYAOZDE-UHFFFAOYSA-N -1 0 334.460 3.872 20 0 EHADRM CCCc1c(C(=O)N2CCC[C@H](C(C)C)CC2)[nH]c(C)c1C(=O)[O-] ZINC001596032168 983308078 /nfs/dbraw/zinc/30/80/78/983308078.db2.gz MEQDWFDTXGBSTG-AWEZNQCLSA-N -1 0 334.460 3.872 20 0 EHADRM CCCc1cc(C(=O)N[C@@H](C(=O)[O-])c2cccc(O)c2)ccc1Cl ZINC001596053254 983354304 /nfs/dbraw/zinc/35/43/04/983354304.db2.gz NJAVJXJAHBIBGU-MRXNPFEDSA-N -1 0 347.798 3.554 20 0 EHADRM CCCc1ccc([C@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C(C)C)cc1 ZINC001596063105 983374147 /nfs/dbraw/zinc/37/41/47/983374147.db2.gz PTAKQFUUCXPSTA-RCCFBDPRSA-N -1 0 331.456 3.953 20 0 EHADRM CCCc1ccc(NC(=O)NCc2ccc(Cl)c(C(=O)[O-])n2)cc1 ZINC001596068918 983382947 /nfs/dbraw/zinc/38/29/47/983382947.db2.gz PRTMQPDJQFGUFP-UHFFFAOYSA-N -1 0 347.802 3.707 20 0 EHADRM CCCc1ccccc1C(=O)Oc1cc(/C=C/C(=O)[O-])ccc1OC ZINC001596070598 983385948 /nfs/dbraw/zinc/38/59/48/983385948.db2.gz OEGQDFXPHMMAAP-ZRDIBKRKSA-N -1 0 340.375 3.965 20 0 EHADRM CCCc1ncc(CN[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)o1 ZINC001596089303 983411304 /nfs/dbraw/zinc/41/13/04/983411304.db2.gz VTDAATZAJCQIAB-AWEZNQCLSA-N -1 0 342.317 3.561 20 0 EHADRM CCN(C(=O)[C@@H](C)Sc1nc(C(=O)[O-])cs1)C1CCCCC1 ZINC001596131208 983478176 /nfs/dbraw/zinc/47/81/76/983478176.db2.gz JVBZVJNHVQYNNU-SNVBAGLBSA-N -1 0 342.486 3.503 20 0 EHADRM CCN(C(=O)CC(C1CCC1)C1CCC1)c1ncc(C(=O)[O-])s1 ZINC001596133002 983480621 /nfs/dbraw/zinc/48/06/21/983480621.db2.gz AAXFEPVGQUDZDI-UHFFFAOYSA-N -1 0 336.457 3.801 20 0 EHADRM CCN(C(=O)CC[C@H](O)c1ccc(C(C)(C)C)cc1)C(C)(C)C(=O)[O-] ZINC001596134182 983483169 /nfs/dbraw/zinc/48/31/69/983483169.db2.gz VQVNUAXAPYTHOS-INIZCTEOSA-N -1 0 349.471 3.509 20 0 EHADRM CCN(C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21)C(C)(C)C(=O)[O-] ZINC001596138882 983489746 /nfs/dbraw/zinc/48/97/46/983489746.db2.gz XZKWIQBSTYFBKB-DLBZAZTESA-N -1 0 325.408 3.655 20 0 EHADRM CCN(C(=O)c1cc(C)n(C(C)C)c1C)c1ncc(C(=O)[O-])s1 ZINC001596164466 983527219 /nfs/dbraw/zinc/52/72/19/983527219.db2.gz PWRHWCDILXTOIB-UHFFFAOYSA-N -1 0 335.429 3.507 20 0 EHADRM CCN(C(=O)c1ccc(OC(C)(C)C)cn1)c1ccccc1C(=O)[O-] ZINC001596167052 983530844 /nfs/dbraw/zinc/53/08/44/983530844.db2.gz DGBSDOIUQMKOMV-UHFFFAOYSA-N -1 0 342.395 3.624 20 0 EHADRM CCN(C(=O)c1ccc(F)c2ccncc12)c1ccccc1C(=O)[O-] ZINC001596167028 983531013 /nfs/dbraw/zinc/53/10/13/983531013.db2.gz BRJOXGWPFORQHB-UHFFFAOYSA-N -1 0 338.338 3.739 20 0 EHADRM CCN(C(=O)c1ccc(Cl)cc1C(F)(F)F)C(C)(C)C(=O)[O-] ZINC001596167592 983533039 /nfs/dbraw/zinc/53/30/39/983533039.db2.gz ZMUDVXBFMKEETB-UHFFFAOYSA-N -1 0 337.725 3.684 20 0 EHADRM CCN(CC1CCC1)C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001596294388 983716135 /nfs/dbraw/zinc/71/61/35/983716135.db2.gz XAZDMOMMMXFRGV-UHFFFAOYSA-N -1 0 334.416 3.826 20 0 EHADRM CCN(Cc1ccc(Cl)s1)Cn1nc(C(=O)[O-])c(Cl)c1C ZINC001596365040 983857492 /nfs/dbraw/zinc/85/74/92/983857492.db2.gz XYFDRTCDUKDFJE-UHFFFAOYSA-N -1 0 348.255 3.738 20 0 EHADRM CCN(Cc1nc(C(C)(C)C(=O)[O-])c(C)s1)C(=O)OC(C)(C)C ZINC001596377505 983885888 /nfs/dbraw/zinc/88/58/88/983885888.db2.gz BTVTVGFMASKGLW-UHFFFAOYSA-N -1 0 342.461 3.571 20 0 EHADRM CCN(c1ccc(C(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)cc1)C(C)C ZINC001596382988 983906153 /nfs/dbraw/zinc/90/61/53/983906153.db2.gz LUCNKAYCARVWRG-SGNKCFNYSA-N -1 0 346.471 3.685 20 0 EHADRM CCN1C(=O)N[C@H](c2c(Cl)oc3ccccc32)C(C(=O)[O-])=C1C ZINC001596392202 983926230 /nfs/dbraw/zinc/92/62/30/983926230.db2.gz GGSFFWHMNGHHCT-ZDUSSCGKSA-N -1 0 334.759 3.531 20 0 EHADRM CCNC(=O)c1cccc(N[C@@H](CC)c2ccc(C(=O)[O-])cc2)c1 ZINC001596490177 984230277 /nfs/dbraw/zinc/23/02/77/984230277.db2.gz ZSCHQKUQSQPWOE-KRWDZBQOSA-N -1 0 326.396 3.698 20 0 EHADRM CCOC(=O)[C@]12CCC[C@@H]1C[C@H](Nc1cccc([C@@H](C)C(=O)[O-])c1)C2 ZINC001596563547 984444519 /nfs/dbraw/zinc/44/45/19/984444519.db2.gz USRYIDQFSQCGLO-HMPASCQOSA-N -1 0 345.439 3.799 20 0 EHADRM CCOC(=O)C1CCC(SCc2ccccc2CC(=O)[O-])CC1 ZINC001596569850 984461399 /nfs/dbraw/zinc/46/13/99/984461399.db2.gz HQCGHPHKSIXSHJ-UHFFFAOYSA-N -1 0 336.453 3.669 20 0 EHADRM C/C(=C(\F)C(=O)N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)C1CC1 ZINC001588933487 984612653 /nfs/dbraw/zinc/61/26/53/984612653.db2.gz UJZXKHXFECQFBZ-RPHSKFLZSA-N -1 0 345.292 3.601 20 0 EHADRM C/C(=C/C(=O)N1CCc2c1cccc2C(=O)[O-])c1ccc(F)cc1 ZINC001588938799 984624785 /nfs/dbraw/zinc/62/47/85/984624785.db2.gz HDVQYHMNWQCHCN-QXMHVHEDSA-N -1 0 325.339 3.517 20 0 EHADRM C/C(=C\C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccccc1C ZINC001588938936 984625673 /nfs/dbraw/zinc/62/56/73/984625673.db2.gz IQJGJWMDBMQTRS-LSSBLYJVSA-N -1 0 335.403 3.609 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1ccccc1C(F)F ZINC001599888701 984667862 /nfs/dbraw/zinc/66/78/62/984667862.db2.gz MSQBMQYVBIYEHY-GFCCVEGCSA-N -1 0 333.334 3.740 20 0 EHADRM C/C(=C/C(=O)[O-])CSc1nc2cc(Br)ccc2o1 ZINC001588951755 984681844 /nfs/dbraw/zinc/68/18/44/984681844.db2.gz GFVDWMHAWSSTNF-DAXSKMNVSA-N -1 0 328.187 3.713 20 0 EHADRM C[C@H](NC(=O)NCC(C)(C)CC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001599893700 984726928 /nfs/dbraw/zinc/72/69/28/984726928.db2.gz BSJMVHLGSDAKKB-VIFPVBQESA-N -1 0 347.242 3.855 20 0 EHADRM C[C@H](NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)C1CCCCCC1 ZINC001599894009 984729815 /nfs/dbraw/zinc/72/98/15/984729815.db2.gz KBCHFYGZOBDYEP-ZSZQSSIHSA-N -1 0 336.476 3.632 20 0 EHADRM C[C@H](OC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(C(F)(F)F)nc1 ZINC001599904002 984898051 /nfs/dbraw/zinc/89/80/51/984898051.db2.gz XCGSUFDRKKEKTM-AXFHLTTASA-N -1 0 345.317 3.596 20 0 EHADRM C/C(=C/Cl)CS[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001588990607 984910545 /nfs/dbraw/zinc/91/05/45/984910545.db2.gz BAYNBBCELUNDPF-GXMKHXEJSA-N -1 0 327.833 3.896 20 0 EHADRM C/C(=C/Cl)CS[C@@H](C)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001588991246 984914594 /nfs/dbraw/zinc/91/45/94/984914594.db2.gz UFKQEBJHDMVHGK-WYDVEAGSSA-N -1 0 333.862 3.958 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)N(CCc1ccccc1)CC(=O)[O-] ZINC001588994978 984921286 /nfs/dbraw/zinc/92/12/86/984921286.db2.gz CCBPIHFESGKDMJ-VKAVYKQESA-N -1 0 337.419 3.554 20 0 EHADRM C[C@H](c1ccc(F)cc1F)n1cc(CC2(C(=O)[O-])CCCCC2)nn1 ZINC001599905839 984921208 /nfs/dbraw/zinc/92/12/08/984921208.db2.gz YNIKPYURAQWDRF-GFCCVEGCSA-N -1 0 349.381 3.743 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC001588995814 984929363 /nfs/dbraw/zinc/92/93/63/984929363.db2.gz SHGYWIFIYHIGQK-VBKFSLOCSA-N -1 0 329.440 3.940 20 0 EHADRM C[C@H](OC(=O)c1cccc(C(=O)[O-])c1)c1ccc(C(F)(F)F)nc1 ZINC001599906720 984932043 /nfs/dbraw/zinc/93/20/43/984932043.db2.gz YJIXZUQQJWMXSN-VIFPVBQESA-N -1 0 339.269 3.717 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)N1c2cccc(C)c2C[C@H]1C(=O)[O-] ZINC001588998104 984934232 /nfs/dbraw/zinc/93/42/32/984934232.db2.gz HPXGIGYNGYVGSM-GFBZKKKVSA-N -1 0 339.366 3.580 20 0 EHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001588998114 984934251 /nfs/dbraw/zinc/93/42/51/984934251.db2.gz IDYBRXUEHOPGNY-LPDPEWCVSA-N -1 0 347.842 3.847 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)c2ccc(C(F)F)c(F)c2)(C(=O)[O-])CC1 ZINC001599907551 984943110 /nfs/dbraw/zinc/94/31/10/984943110.db2.gz HHTFRHSINRWQET-QLKSEXHHSA-N -1 0 329.318 3.527 20 0 EHADRM C[C@H]1CC[C@@](C)(CNC(=O)NCc2ccc(CC(=O)[O-])cc2)C1(C)C ZINC001599908404 984952863 /nfs/dbraw/zinc/95/28/63/984952863.db2.gz YQSJZMBXCIGWGB-XOBRGWDASA-N -1 0 346.471 3.575 20 0 EHADRM C/C(=C\c1ccccc1Cl)C(=O)OCc1cccc(C(=O)[O-])n1 ZINC001589004112 984960704 /nfs/dbraw/zinc/96/07/04/984960704.db2.gz XPNCHWODVDDHHI-PKNBQFBNSA-N -1 0 331.755 3.580 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cccc(-c3ccccc3)c2)C[C@]1(C)C(=O)[O-] ZINC001599922392 985152729 /nfs/dbraw/zinc/15/27/29/985152729.db2.gz OXQYLAVTVUVLGT-XOBRGWDASA-N -1 0 338.407 3.928 20 0 EHADRM CCO[C@@H](C)c1nc(CS[C@H](C)c2nc(C(=O)[O-])co2)cs1 ZINC001596775817 985209750 /nfs/dbraw/zinc/20/97/50/985209750.db2.gz FWIIBUPBKCMFEV-DTWKUNHWSA-N -1 0 342.442 3.921 20 0 EHADRM CCO[C@H](c1noc(-c2ccc(/C=C\C(=O)[O-])o2)n1)C1CCCC1 ZINC001596790408 985265265 /nfs/dbraw/zinc/26/52/65/985265265.db2.gz MTEWMNAPGCOBON-WWRUEGTHSA-N -1 0 332.356 3.695 20 0 EHADRM C[C@H]1Cc2ccccc2N(C(=O)[C@H]2CCC=CCCC2)[C@H]1C(=O)[O-] ZINC001599936678 985404621 /nfs/dbraw/zinc/40/46/21/985404621.db2.gz BEXXSPOJTJBXKK-RLFYNMQTSA-N -1 0 327.424 3.802 20 0 EHADRM CC(=O)Nc1cc(-c2cccc(Br)c2)sc1C(=O)[O-] ZINC001589166384 985514405 /nfs/dbraw/zinc/51/44/05/985514405.db2.gz HIRVVYFKXOGWEN-UHFFFAOYSA-N -1 0 340.198 3.834 20 0 EHADRM CCO[C@H]1C[C@H](Nc2nc(Cl)c(C(=O)[O-])s2)C1(CC)CC ZINC001596841705 985526822 /nfs/dbraw/zinc/52/68/22/985526822.db2.gz CIMZKSXPTQSUBM-IUCAKERBSA-N -1 0 332.853 3.890 20 0 EHADRM CC(=O)Nc1cc(N[C@H](C(=O)[O-])c2ccccc2C)ccc1Cl ZINC001589180858 985555110 /nfs/dbraw/zinc/55/51/10/985555110.db2.gz QAICRBFSMLUAAW-INIZCTEOSA-N -1 0 332.787 3.845 20 0 EHADRM CCOC1CCN(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])CC1 ZINC001596854605 985599141 /nfs/dbraw/zinc/59/91/41/985599141.db2.gz DKXFCHYCTVAOMU-UHFFFAOYSA-N -1 0 334.416 3.541 20 0 EHADRM Cc1[nH]c(C(=O)Nc2nc3c(s2)CC(C)(C)CC3)c(C)c1C(=O)[O-] ZINC001599956259 985694713 /nfs/dbraw/zinc/69/47/13/985694713.db2.gz PABBJTWUAYOFBH-UHFFFAOYSA-N -1 0 347.440 3.553 20 0 EHADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CSc1ccc2c(c1)CCCC2 ZINC001599959892 985761164 /nfs/dbraw/zinc/76/11/64/985761164.db2.gz BJLCBCICFXXWIP-UHFFFAOYSA-N -1 0 329.421 3.875 20 0 EHADRM CC(=O)[C@@H]1C[C@H](CC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C1(C)C ZINC001589230699 985776332 /nfs/dbraw/zinc/77/63/32/985776332.db2.gz CDMXDTKZUDXDIY-RISCZKNCSA-N -1 0 337.803 3.618 20 0 EHADRM CCOCCC1(CNC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)CCC1 ZINC001596902983 985879891 /nfs/dbraw/zinc/87/98/91/985879891.db2.gz XAKUVXVYIAJBJH-AWEZNQCLSA-N -1 0 348.443 3.593 20 0 EHADRM Cc1[nH]c2ccc(CNC(=O)NCCCCCCC(=O)[O-])cc2c1C ZINC001599965270 985892280 /nfs/dbraw/zinc/89/22/80/985892280.db2.gz UYLVNKQQTVGDHZ-UHFFFAOYSA-N -1 0 345.443 3.619 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])[nH]c1NC(=O)c1cc2cccc(Cl)c2o1 ZINC001589261009 985916024 /nfs/dbraw/zinc/91/60/24/985916024.db2.gz SIRQUGMQZPANQM-UHFFFAOYSA-N -1 0 346.726 3.567 20 0 EHADRM CCOCCCN(C[C@@H](C)C(=O)[O-])c1nc2cc(C)ccc2s1 ZINC001596915409 985942910 /nfs/dbraw/zinc/94/29/10/985942910.db2.gz YGAPLOOZQIRDQR-CYBMUJFWSA-N -1 0 336.457 3.558 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2nc(C(C)C)c(C(=O)[O-])s2)cc1C ZINC001589279665 986004519 /nfs/dbraw/zinc/00/45/19/986004519.db2.gz TVARNNYYGBSRPJ-UHFFFAOYSA-N -1 0 346.408 3.728 20 0 EHADRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)C1CC(C)(C)C1 ZINC001599971033 986006095 /nfs/dbraw/zinc/00/60/95/986006095.db2.gz ILBKHQFDSCNSRL-UHFFFAOYSA-N -1 0 340.217 3.830 20 0 EHADRM CC(=O)c1ccc(NC(=O)CCc2ccccc2C(=O)[O-])cc1Cl ZINC001589298299 986049897 /nfs/dbraw/zinc/04/98/97/986049897.db2.gz AZYTYNXZBLTWOO-UHFFFAOYSA-N -1 0 345.782 3.812 20 0 EHADRM CC(=O)c1ccccc1C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001589318188 986118152 /nfs/dbraw/zinc/11/81/52/986118152.db2.gz OALKSEJERDPTCC-UHFFFAOYSA-N -1 0 333.343 3.993 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001599978673 986131001 /nfs/dbraw/zinc/13/10/01/986131001.db2.gz JKIFOYUNTUYMAR-QMMMGPOBSA-N -1 0 348.355 3.526 20 0 EHADRM CCON(CC1CCCCC1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001596963065 986154382 /nfs/dbraw/zinc/15/43/82/986154382.db2.gz APVWQDGAVZXOSA-UHFFFAOYSA-N -1 0 338.379 3.890 20 0 EHADRM C[C@H]1CN(Cc2cc(C(=O)[O-])ccc2F)c2cccc(Cl)c2O1 ZINC001594538247 986165042 /nfs/dbraw/zinc/16/50/42/986165042.db2.gz ZRAZETKNGKLXEN-JTQLQIEISA-N -1 0 335.762 3.965 20 0 EHADRM CCOCc1ccc(N[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC001596966184 986174880 /nfs/dbraw/zinc/17/48/80/986174880.db2.gz PTVWVNHMEBPGAP-KRWDZBQOSA-N -1 0 333.815 3.984 20 0 EHADRM C[C@@H]1CN(Cc2ncc(C(=O)[O-])s2)CCc2ccc(Cl)cc21 ZINC001594547340 986225446 /nfs/dbraw/zinc/22/54/46/986225446.db2.gz IQZRSZVLYUWXLS-SNVBAGLBSA-N -1 0 336.844 3.657 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)[C@H]3CC[C@H](C)CC3)ccc2n1C ZINC001599986323 986229469 /nfs/dbraw/zinc/22/94/69/986229469.db2.gz WVDIKXAKLPGNEN-AULYBMBSSA-N -1 0 329.396 3.917 20 0 EHADRM C[C@@H](C(=O)N([C@@H](C)C(=O)[O-])C1CCC1)c1ccccc1C(F)(F)F ZINC001589342197 986265192 /nfs/dbraw/zinc/26/51/92/986265192.db2.gz ZKHMCPFWWURZJJ-MNOVXSKESA-N -1 0 343.345 3.663 20 0 EHADRM CCOc1c(Cl)cccc1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001596992678 986278765 /nfs/dbraw/zinc/27/87/65/986278765.db2.gz LPUVFROUOTVOPA-UHFFFAOYSA-N -1 0 337.734 3.828 20 0 EHADRM CCOc1c(Cl)cccc1CC(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001596993239 986282571 /nfs/dbraw/zinc/28/25/71/986282571.db2.gz ZIKGPQGGNGWPQG-UHFFFAOYSA-N -1 0 347.798 3.927 20 0 EHADRM CCOc1cc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)ccc1C ZINC001597010005 986348072 /nfs/dbraw/zinc/34/80/72/986348072.db2.gz VJKJBHLSIACDAZ-UHFFFAOYSA-N -1 0 335.306 3.622 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1Cc2ccccc2[C@@H]1C ZINC001597016434 986380202 /nfs/dbraw/zinc/38/02/02/986380202.db2.gz BFLTWCYIFVYNHP-LBPRGKRZSA-N -1 0 340.379 3.892 20 0 EHADRM C[C@@H](C(=O)N1CCc2cc(C(=O)[O-])ccc21)c1cc2ccccc2o1 ZINC001589365384 986391905 /nfs/dbraw/zinc/39/19/05/986391905.db2.gz TVLJPINLTHYISF-GFCCVEGCSA-N -1 0 335.359 3.824 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1CCCC(C)(C)C1 ZINC001597021204 986410019 /nfs/dbraw/zinc/41/00/19/986410019.db2.gz IRANWEPLTQMPES-CYBMUJFWSA-N -1 0 334.416 3.874 20 0 EHADRM CCOc1cc(C)ccc1NC(=O)c1ccccc1CCC(=O)[O-] ZINC001597031875 986452157 /nfs/dbraw/zinc/45/21/57/986452157.db2.gz MEZGORYYIDBVPT-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM CCOc1cc(CCCNc2ccc(C(=O)[O-])c(C)n2)ccc1OC ZINC001597031940 986452299 /nfs/dbraw/zinc/45/22/99/986452299.db2.gz BUEUUFCBQKGDKE-UHFFFAOYSA-N -1 0 344.411 3.540 20 0 EHADRM CCOc1cc(C)ccc1NC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001597032658 986456859 /nfs/dbraw/zinc/45/68/59/986456859.db2.gz OMXFAKCXBYETQJ-UHFFFAOYSA-N -1 0 346.358 3.553 20 0 EHADRM C[C@H](C(=O)N[C@H](CC(C)(C)C)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001589385988 986483322 /nfs/dbraw/zinc/48/33/22/986483322.db2.gz RIVMKWCAMOIIBQ-GXFFZTMASA-N -1 0 345.361 3.815 20 0 EHADRM C[C@@H](C(=O)NC1(C(=O)[O-])CCCCC1)c1ccc(C(F)(F)F)cc1 ZINC001589387360 986492023 /nfs/dbraw/zinc/49/20/23/986492023.db2.gz GTFFKGKXWHRKLC-LLVKDONJSA-N -1 0 343.345 3.713 20 0 EHADRM C[C@@H]1Cc2cc(C(=O)Nc3ccc(Cl)cc3C(=O)[O-])ccc2O1 ZINC001594615393 986631907 /nfs/dbraw/zinc/63/19/07/986631907.db2.gz NMJWSNPCTIJOEO-SECBINFHSA-N -1 0 331.755 3.614 20 0 EHADRM C[C@@H]1Cc2cc(C(=O)Nc3ncc(C(=O)[O-])c4ccccc43)ccc2O1 ZINC001594615377 986632142 /nfs/dbraw/zinc/63/21/42/986632142.db2.gz NFFVGFZGQWBHLT-LLVKDONJSA-N -1 0 348.358 3.509 20 0 EHADRM C[C@@H]1Cc2cc(Nc3ncc(C(=O)[O-])cc3C(F)(F)F)ccc2O1 ZINC001594618574 986641554 /nfs/dbraw/zinc/64/15/54/986641554.db2.gz FZFRZLOIYLKKJH-MRVPVSSYSA-N -1 0 338.285 3.866 20 0 EHADRM CCOc1ccc(C[C@H](C)C(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC001597084336 986641783 /nfs/dbraw/zinc/64/17/83/986641783.db2.gz DTPLXUAFPLFJOO-AWEZNQCLSA-N -1 0 341.407 3.530 20 0 EHADRM CCOc1ccc(C[C@H](C)C(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC001597085564 986655430 /nfs/dbraw/zinc/65/54/30/986655430.db2.gz ZYTWGBBWAJWSPW-NSHDSACASA-N -1 0 333.409 3.662 20 0 EHADRM CCOc1ccc(Cl)c(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC001597107093 986752480 /nfs/dbraw/zinc/75/24/80/986752480.db2.gz YPTIZSOHGVYPGD-MNOVXSKESA-N -1 0 325.792 3.568 20 0 EHADRM CCOc1ccc(N(C)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001597107117 986752773 /nfs/dbraw/zinc/75/27/73/986752773.db2.gz ZGANMINTVMYIFS-UHFFFAOYSA-N -1 0 332.331 3.591 20 0 EHADRM CCOc1ccc(OCc2cccc(C(=O)[O-])c2Cl)c(C=O)c1 ZINC001597132776 986859387 /nfs/dbraw/zinc/85/93/87/986859387.db2.gz PSQKUBXUHQIIAE-UHFFFAOYSA-N -1 0 334.755 3.828 20 0 EHADRM CCOc1cccc(C(=O)N[C@H](C(=O)[O-])c2cccc3ccccc32)c1 ZINC001597145355 986906331 /nfs/dbraw/zinc/90/63/31/986906331.db2.gz GLRFLIQSRJGPNI-IBGZPJMESA-N -1 0 349.386 3.794 20 0 EHADRM CCOc1cccc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)[O-])c1 ZINC001597145904 986908227 /nfs/dbraw/zinc/90/82/27/986908227.db2.gz OBFBROLYFOIBAD-UHFFFAOYSA-N -1 0 333.771 3.998 20 0 EHADRM CCOc1cccc2[nH]cc(CC(=O)O[C@@H](CC(C)(C)C)C(=O)[O-])c21 ZINC001597164714 986979531 /nfs/dbraw/zinc/97/95/31/986979531.db2.gz DEISHVKEEYUMMO-HNNXBMFYSA-N -1 0 347.411 3.542 20 0 EHADRM C/C=C\C[C@@H]1CCCN(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)C1 ZINC001594686347 987064942 /nfs/dbraw/zinc/06/49/42/987064942.db2.gz STZGDBHFYGIZNB-XQJDBVBESA-N -1 0 334.391 3.663 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N(C)CCCc2ccccc2)cc1 ZINC001589505583 987121117 /nfs/dbraw/zinc/12/11/17/987121117.db2.gz UXUYFUIEUDOZJQ-OAHLLOKOSA-N -1 0 340.423 3.971 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2CCO[C@@H](C(C)(C)C)CC2)cc1 ZINC001589508953 987131395 /nfs/dbraw/zinc/13/13/95/987131395.db2.gz OECVYHSWXXTJGH-XJKSGUPXSA-N -1 0 348.443 3.544 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NCc2cc3ccccc3[nH]2)cc1 ZINC001589511848 987143841 /nfs/dbraw/zinc/14/38/41/987143841.db2.gz JUURKQSBMAWGMN-GFCCVEGCSA-N -1 0 337.379 3.678 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@H]2Cc3ccccc3S2)c1 ZINC001589521556 987167210 /nfs/dbraw/zinc/16/72/10/987167210.db2.gz ATZQJMGULPUIBG-MEDUHNTESA-N -1 0 327.405 3.530 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cn(C)c3ccc(F)cc23)c1 ZINC001589532301 987213313 /nfs/dbraw/zinc/21/33/13/987213313.db2.gz PJWCBEJIJCFKGV-LLVKDONJSA-N -1 0 340.354 3.758 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cccc3cccc(O)c32)c1 ZINC001589533095 987222536 /nfs/dbraw/zinc/22/25/36/987222536.db2.gz WLZHCHMIGLGLAS-LBPRGKRZSA-N -1 0 335.359 3.986 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)Nc2cc(F)c(F)c(F)c2)c1 ZINC001589533403 987226055 /nfs/dbraw/zinc/22/60/55/987226055.db2.gz OBIUAYDGCVDGKT-QMMMGPOBSA-N -1 0 338.285 3.936 20 0 EHADRM CC[C@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cn1)C1CCC(C)CC1 ZINC001594725421 987230918 /nfs/dbraw/zinc/23/09/18/987230918.db2.gz WFOHZFFINFTQDE-KVULBXGLSA-N -1 0 332.444 3.591 20 0 EHADRM C[C@@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC001589540851 987248652 /nfs/dbraw/zinc/24/86/52/987248652.db2.gz SIEVBOAYZUZCDS-RFAUZJTJSA-N -1 0 338.281 3.577 20 0 EHADRM CCS[C@H]1CC[C@H](N(C)C(=O)Nc2scc(C)c2C(=O)[O-])C1 ZINC001597255248 987253379 /nfs/dbraw/zinc/25/33/79/987253379.db2.gz AVUYIMWRNAQTAS-QWRGUYRKSA-N -1 0 342.486 3.893 20 0 EHADRM CC[C@H](C(=O)Nc1ccc(CC(=O)[O-])c(F)c1)c1ccc(F)cc1 ZINC001594736002 987273808 /nfs/dbraw/zinc/27/38/08/987273808.db2.gz UGTUXGSCBIJONL-HNNXBMFYSA-N -1 0 333.334 3.724 20 0 EHADRM C[C@@H](C(=O)OCCc1ccccc1C(=O)[O-])c1ccc(F)cc1F ZINC001589548134 987274393 /nfs/dbraw/zinc/27/43/93/987274393.db2.gz BARVHOVDDJGTDE-LLVKDONJSA-N -1 0 334.318 3.552 20 0 EHADRM CC[C@H](C(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001594736170 987274748 /nfs/dbraw/zinc/27/47/48/987274748.db2.gz KPHONQMKHBIAKM-MELADBBJSA-N -1 0 343.345 3.569 20 0 EHADRM CCSCC[C@H](C)NC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001597259372 987280200 /nfs/dbraw/zinc/28/02/00/987280200.db2.gz SVZLVIBJPRKCLF-JTQLQIEISA-N -1 0 335.429 3.519 20 0 EHADRM CCSc1ccc(-c2noc(-c3ccc(C(=O)[O-])n3C)n2)cc1 ZINC001597270969 987315501 /nfs/dbraw/zinc/31/55/01/987315501.db2.gz MSNVUKZEHQFQHR-UHFFFAOYSA-N -1 0 329.381 3.552 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)c2ccsc2CC(=O)[O-])cc1 ZINC001597270987 987315591 /nfs/dbraw/zinc/31/55/91/987315591.db2.gz OJHWMOZATMFPKD-NSHDSACASA-N -1 0 349.477 3.978 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001597271129 987317009 /nfs/dbraw/zinc/31/70/09/987317009.db2.gz VZDWLKCIDCBJGG-UHFFFAOYSA-N -1 0 336.800 3.798 20 0 EHADRM CCSc1ccc(CC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001597272824 987324096 /nfs/dbraw/zinc/32/40/96/987324096.db2.gz OYJNVMRLMPREHX-UHFFFAOYSA-N -1 0 333.384 3.817 20 0 EHADRM CCSc1cccc(F)c1NC(=O)N[C@H](CC(=O)[O-])C(C)(C)C ZINC001597277019 987331918 /nfs/dbraw/zinc/33/19/18/987331918.db2.gz BSTBCHBBUKRIDX-GFCCVEGCSA-N -1 0 342.436 3.949 20 0 EHADRM CC(C)(C(=O)NCc1ccccc1CC(=O)[O-])c1ccc(Cl)cc1 ZINC001589572615 987345523 /nfs/dbraw/zinc/34/55/23/987345523.db2.gz SZNFTRWBKKMVDZ-UHFFFAOYSA-N -1 0 345.826 3.561 20 0 EHADRM CCSc1ccccc1C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001597280070 987349116 /nfs/dbraw/zinc/34/91/16/987349116.db2.gz XDOPRMKEOYWUOZ-AWEZNQCLSA-N -1 0 335.469 3.810 20 0 EHADRM CC[C@@H](NC(=O)NCc1cc(C)c(C(=O)[O-])o1)c1ccc(C)c(F)c1 ZINC001597285849 987363417 /nfs/dbraw/zinc/36/34/17/987363417.db2.gz CVWLGVXTMQCNPY-OAHLLOKOSA-N -1 0 348.374 3.684 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccccc1F ZINC001597285846 987363497 /nfs/dbraw/zinc/36/34/97/987363497.db2.gz CUBZASDNCHQNPC-CQSZACIVSA-N -1 0 334.322 3.936 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)/C=C\C=C(Cl)Cl)c1ccccc1 ZINC001589590466 987393553 /nfs/dbraw/zinc/39/35/53/987393553.db2.gz BVDNSXRFORZYFV-APFBBLRHSA-N -1 0 342.222 3.830 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)/C=C\C=C(Cl)Cl)c1ccccc1 ZINC001589590473 987393587 /nfs/dbraw/zinc/39/35/87/987393587.db2.gz BVDNSXRFORZYFV-LBIZBFCRSA-N -1 0 342.222 3.830 20 0 EHADRM CC[C@@H]1C[C@H]1C(=O)N(C)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001597297477 987398974 /nfs/dbraw/zinc/39/89/74/987398974.db2.gz LVUACXMJMZDMMO-JQEORGNBSA-N -1 0 330.211 3.624 20 0 EHADRM CC(C)(C(=O)[O-])N(Cc1ccccc1)C(=O)[C@H](F)c1ccccc1 ZINC001589616495 987480557 /nfs/dbraw/zinc/48/05/57/987480557.db2.gz FHCGHULEIIFXTO-MRXNPFEDSA-N -1 0 329.371 3.589 20 0 EHADRM CCc1[nH]c(C(=O)NC2(c3cccc(F)c3)CCC2)c(C)c1C(=O)[O-] ZINC001597363374 987529671 /nfs/dbraw/zinc/52/96/71/987529671.db2.gz HIQBSRAOKBVGFP-UHFFFAOYSA-N -1 0 344.386 3.532 20 0 EHADRM CCc1[nH]c(C(=O)Nc2cc(C3(C)CCCC3)on2)c(C)c1C(=O)[O-] ZINC001597373654 987558463 /nfs/dbraw/zinc/55/84/63/987558463.db2.gz VYYWVVFNJWBVPT-UHFFFAOYSA-N -1 0 345.399 3.656 20 0 EHADRM CCc1[nH]c(C(=O)Nc2ccccc2C(C)(F)F)c(C)c1C(=O)[O-] ZINC001597374219 987561103 /nfs/dbraw/zinc/56/11/03/987561103.db2.gz HXVRAAJDMLZWMB-UHFFFAOYSA-N -1 0 336.338 3.948 20 0 EHADRM CCc1[nH]c(C(=O)Nc2ccccc2OC(C)C)c(C)c1C(=O)[O-] ZINC001597374192 987561230 /nfs/dbraw/zinc/56/12/30/987561230.db2.gz HQKKBYJMGYORTN-UHFFFAOYSA-N -1 0 330.384 3.623 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)CC(F)(F)C(F)(F)F)c1 ZINC001589650172 987597459 /nfs/dbraw/zinc/59/74/59/987597459.db2.gz GOJQYKIBYRXWKM-UHFFFAOYSA-N -1 0 340.244 3.542 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)CCc2ccccc2F)c1 ZINC001589650625 987599005 /nfs/dbraw/zinc/59/90/05/987599005.db2.gz MCISZUCOFWBDTC-UHFFFAOYSA-N -1 0 330.355 3.726 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)c2coc(C3CCC3)n2)c1 ZINC001589651344 987603413 /nfs/dbraw/zinc/60/34/13/987603413.db2.gz YKDYDCYYMUQOOI-UHFFFAOYSA-N -1 0 329.352 3.524 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(NC(=O)NCCC2CCCCC2)n1 ZINC001589656178 987618565 /nfs/dbraw/zinc/61/85/65/987618565.db2.gz KONHYZMQXUPWAN-UHFFFAOYSA-N -1 0 339.461 3.597 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(NC(=O)c2cccc(C3CC3)c2)n1 ZINC001589656980 987625670 /nfs/dbraw/zinc/62/56/70/987625670.db2.gz HUZQNJZNWGEPQS-UHFFFAOYSA-N -1 0 330.409 3.635 20 0 EHADRM CC(C)(C(=O)[O-])n1cc(NC(=O)Nc2ccc3sccc3c2)cn1 ZINC001589667022 987659410 /nfs/dbraw/zinc/65/94/10/987659410.db2.gz XKWURWYXDKXDLG-UHFFFAOYSA-N -1 0 344.396 3.562 20 0 EHADRM CCc1cc(C(=O)N[C@@](C)(CC)C(=O)[O-])sc1-c1ccccc1 ZINC001597429432 987763408 /nfs/dbraw/zinc/76/34/08/987763408.db2.gz DIIBKPRSQPLRNF-SFHVURJKSA-N -1 0 331.437 3.961 20 0 EHADRM CC(C)(C)C(=O)c1ccsc1NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001589699105 987784294 /nfs/dbraw/zinc/78/42/94/987784294.db2.gz JKRHVHIBEAPRLH-ALCCZGGFSA-N -1 0 347.392 3.920 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)c1cc2c(cccc2C2CC2)[nH]1 ZINC001589704526 987812637 /nfs/dbraw/zinc/81/26/37/987812637.db2.gz MUXMGZJNUYJECV-INIZCTEOSA-N -1 0 328.412 3.665 20 0 EHADRM CC(C)(C)[C@H](NC(=O)N1CCC(CC(=O)[O-])CC1)c1ccccc1 ZINC001589716125 987856456 /nfs/dbraw/zinc/85/64/56/987856456.db2.gz JZAFMZRBTRPWMG-QGZVFWFLSA-N -1 0 332.444 3.670 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC001597454105 987859625 /nfs/dbraw/zinc/85/96/25/987859625.db2.gz YSMAZTDANJWUNN-NUTKFTJISA-N -1 0 330.428 3.990 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@H]1CCCO[C@H]1CC(C)C ZINC001597456888 987866355 /nfs/dbraw/zinc/86/63/55/987866355.db2.gz DAJNACAMIAUBCX-IRXDYDNUSA-N -1 0 348.443 3.662 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCCO[C@@H]1CCCC[C@H]1C ZINC001597459342 987885590 /nfs/dbraw/zinc/88/55/90/987885590.db2.gz GLNLUZPWOKGGGW-CXAGYDPISA-N -1 0 348.443 3.664 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1ccc2c(c1)OC(F)(F)O2 ZINC001597463963 987894741 /nfs/dbraw/zinc/89/47/41/987894741.db2.gz IPUCWWMFIRGPRP-UHFFFAOYSA-N -1 0 349.289 3.521 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1csc(-c2ccco2)n1 ZINC001597465028 987901556 /nfs/dbraw/zinc/90/15/56/987901556.db2.gz DUABQZVCKADZRP-UHFFFAOYSA-N -1 0 342.376 3.916 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@H](C)c1cccc(O)c1 ZINC001597465466 987904333 /nfs/dbraw/zinc/90/43/33/987904333.db2.gz RGYGIDFRVHYXDS-LLVKDONJSA-N -1 0 328.368 3.536 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1occc1Br ZINC001597466277 987911384 /nfs/dbraw/zinc/91/13/84/987911384.db2.gz QCUGIQBQJBZIEC-UHFFFAOYSA-N -1 0 338.157 3.555 20 0 EHADRM CC(C)(C)C1=N/C(=C\c2ccc(-c3ccccc3C(=O)[O-])o2)C(=O)O1 ZINC001589726843 987915409 /nfs/dbraw/zinc/91/54/09/987915409.db2.gz PRHASSUZLPAKMI-UVTDQMKNSA-N -1 0 339.347 3.987 20 0 EHADRM CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001589727941 987926416 /nfs/dbraw/zinc/92/64/16/987926416.db2.gz COTMJXFQJOKNIQ-GWCFXTLKSA-N -1 0 340.370 3.999 20 0 EHADRM CCc1cc(C)nc(Nc2cccc(CSCCC(=O)[O-])c2)n1 ZINC001597471545 987935331 /nfs/dbraw/zinc/93/53/31/987935331.db2.gz SGQXXULUQUMGHV-UHFFFAOYSA-N -1 0 331.441 3.799 20 0 EHADRM CC(C)(C)[C@H]1CCCN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C1 ZINC001589732758 987967364 /nfs/dbraw/zinc/96/73/64/987967364.db2.gz QTCDSAZMFCRLNB-JTQLQIEISA-N -1 0 340.370 3.953 20 0 EHADRM CC(C)(C)[C@@H]1CCN(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)C1 ZINC001589733044 987972267 /nfs/dbraw/zinc/97/22/67/987972267.db2.gz WWTRBLSTKDKCPF-CQSZACIVSA-N -1 0 341.411 3.833 20 0 EHADRM CS[C@H]1CCC[C@@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2C)C1 ZINC001599789139 987977243 /nfs/dbraw/zinc/97/72/43/987977243.db2.gz QQXWJNLUWSSEPX-MNOVXSKESA-N -1 0 340.420 3.628 20 0 EHADRM CCc1cc(NC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)nc(CC)n1 ZINC001597483212 987985417 /nfs/dbraw/zinc/98/54/17/987985417.db2.gz IOHOQBGSZXPLSX-HNNXBMFYSA-N -1 0 339.439 3.832 20 0 EHADRM CS[C@@H]1CCC[C@@H](Nc2cc(C(F)(F)F)c(C(=O)[O-])cn2)C1 ZINC001599789985 987990425 /nfs/dbraw/zinc/99/04/25/987990425.db2.gz YMVXFUHPDZSOGI-RKDXNWHRSA-N -1 0 334.363 3.885 20 0 EHADRM CCc1cc2c(ccn(Cc3cc(C(=O)[O-])sc3C)c2=O)s1 ZINC001597488398 987999656 /nfs/dbraw/zinc/99/96/56/987999656.db2.gz CEMSJZVQEWQELE-UHFFFAOYSA-N -1 0 333.434 3.742 20 0 EHADRM CCc1ccc(-c2noc(COc3cc(C(=O)[O-])ccc3C)n2)cc1 ZINC001597491942 988022208 /nfs/dbraw/zinc/02/22/08/988022208.db2.gz KSWHMMORTGGMFQ-UHFFFAOYSA-N -1 0 338.363 3.885 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)CCCCCc1ccc(O)cc1)C(=O)[O-] ZINC001589743332 988024471 /nfs/dbraw/zinc/02/44/71/988024471.db2.gz KMJUXKIHOSRDIB-INIZCTEOSA-N -1 0 335.444 3.501 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)N[C@@H]1CC=C(C(=O)[O-])C1)c1ccc(F)cc1 ZINC001589745571 988040793 /nfs/dbraw/zinc/04/07/93/988040793.db2.gz PDUIMBXFTCVVOO-CVEARBPZSA-N -1 0 348.418 3.776 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)c1ccnc(SC(C)(C)C)c1)C(=O)[O-] ZINC001589751837 988057421 /nfs/dbraw/zinc/05/74/21/988057421.db2.gz SIUAOXWTLBSDSA-LBPRGKRZSA-N -1 0 338.473 3.591 20 0 EHADRM CCc1ccc(C(=O)NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)s1 ZINC001597501030 988063489 /nfs/dbraw/zinc/06/34/89/988063489.db2.gz LRUXKVCLJFIZHB-CQSZACIVSA-N -1 0 343.448 3.859 20 0 EHADRM CC(C)(C)C[C@@H](Nc1nc(C(F)(F)F)nc2ccccc21)C(=O)[O-] ZINC001589757051 988069278 /nfs/dbraw/zinc/06/92/78/988069278.db2.gz KOQRBPFEULQFMY-LLVKDONJSA-N -1 0 341.333 3.950 20 0 EHADRM CCc1ccc(C(=O)[O-])c(OC(=O)c2sc([C@@H](C)OC)nc2C)c1 ZINC001597506758 988077832 /nfs/dbraw/zinc/07/78/32/988077832.db2.gz KXANLIRYECUDHA-SNVBAGLBSA-N -1 0 349.408 3.639 20 0 EHADRM CCc1ccc(C(=O)Oc2ccc(/C=C/C(=O)[O-])cc2OC)s1 ZINC001597508459 988087289 /nfs/dbraw/zinc/08/72/89/988087289.db2.gz QXCRYDOEQYWNSI-WEVVVXLNSA-N -1 0 332.377 3.636 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N[C@H](CC(=O)[O-])c2cccc(C)c2)cc1 ZINC001597511542 988091546 /nfs/dbraw/zinc/09/15/46/988091546.db2.gz CALLMIAFIDPURI-DNVCBOLYSA-N -1 0 339.435 3.993 20 0 EHADRM CC(C)(C)C[C@@H]1CCN(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)C1(C)C ZINC001589764636 988104912 /nfs/dbraw/zinc/10/49/12/988104912.db2.gz QMFNDXNMLNDSOW-CABCVRRESA-N -1 0 338.492 3.734 20 0 EHADRM CSCC[C@H](OC(=O)[C@H](C)Sc1ccccc1Cl)C(=O)[O-] ZINC001599796988 988113976 /nfs/dbraw/zinc/11/39/76/988113976.db2.gz YBOIGMROGSTFLZ-ONGXEEELSA-N -1 0 348.873 3.570 20 0 EHADRM CSCCCCC(=O)Nc1ccc(OC(C)C)cc1C(=O)[O-] ZINC001599797659 988123539 /nfs/dbraw/zinc/12/35/39/988123539.db2.gz QFDGWBHJJQJFFX-UHFFFAOYSA-N -1 0 325.430 3.644 20 0 EHADRM CSCc1ccc(C(=O)N[C@]2(C(=O)[O-])CCCC(C)(C)C2)cc1 ZINC001599802264 988196543 /nfs/dbraw/zinc/19/65/43/988196543.db2.gz JBMIKNGMINESLE-GOSISDBHSA-N -1 0 335.469 3.703 20 0 EHADRM CSCc1ccc(C(=O)OCc2cc(C(=O)[O-])ccc2C)cc1 ZINC001599802778 988204308 /nfs/dbraw/zinc/20/43/08/988204308.db2.gz SEDPSAPTLUSWLV-UHFFFAOYSA-N -1 0 330.405 3.913 20 0 EHADRM CSCc1cccc(NC(=O)N[C@H](CC(=O)[O-])C2CCCC2)c1 ZINC001599803157 988210528 /nfs/dbraw/zinc/21/05/28/988210528.db2.gz NKDKFKQEKSKMSY-OAHLLOKOSA-N -1 0 336.457 3.705 20 0 EHADRM CSCc1cccc(NC(=O)NCC2(C(=O)[O-])CCCCC2)c1 ZINC001599803163 988211214 /nfs/dbraw/zinc/21/12/14/988211214.db2.gz NPAPONAZWPXNOE-UHFFFAOYSA-N -1 0 336.457 3.706 20 0 EHADRM CS[C@H]1C[C@H](NC(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)C1 ZINC001599803593 988218803 /nfs/dbraw/zinc/21/88/03/988218803.db2.gz NUQKERUDMZSBDM-XYPYZODXSA-N -1 0 336.438 3.615 20 0 EHADRM CCc1ccc(NC(=O)/C=C(\C)c2ccc(OC)cc2)c(C(=O)[O-])c1 ZINC001597542752 988234125 /nfs/dbraw/zinc/23/41/25/988234125.db2.gz JNANBVILANZNPF-ACCUITESSA-N -1 0 339.391 3.998 20 0 EHADRM CCc1ccc(NC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1OC ZINC001597546360 988249888 /nfs/dbraw/zinc/24/98/88/988249888.db2.gz CXSSEWZREUNMFQ-UHFFFAOYSA-N -1 0 346.358 3.668 20 0 EHADRM CC(C)(C)N1CC[C@@H](Nc2ccc(Cl)c(C(=O)[O-])c2Cl)C1=O ZINC001589815196 988250059 /nfs/dbraw/zinc/25/00/59/988250059.db2.gz LJKOGDFDCWECTD-SNVBAGLBSA-N -1 0 345.226 3.503 20 0 EHADRM CSc1cc(C(=O)N2CCCc3ccc(C)c(C(=O)[O-])c32)co1 ZINC001599808203 988290561 /nfs/dbraw/zinc/29/05/61/988290561.db2.gz ZJGGRJBSRIOOAZ-UHFFFAOYSA-N -1 0 331.393 3.601 20 0 EHADRM CSc1cc(NC[C@H](C(=O)[O-])c2ccc(C)cc2)nc(SC)n1 ZINC001599809311 988306268 /nfs/dbraw/zinc/30/62/68/988306268.db2.gz AXSJTWYXMGVNNP-LBPRGKRZSA-N -1 0 349.481 3.509 20 0 EHADRM CSc1cc(NC(=O)NCCc2ccc(C(=O)[O-])cc2)ccc1C ZINC001599809491 988309425 /nfs/dbraw/zinc/30/94/25/988309425.db2.gz GUCLQBKTOLCXGU-UHFFFAOYSA-N -1 0 344.436 3.779 20 0 EHADRM CCc1ccc2ccccc2c1CNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001597568286 988322974 /nfs/dbraw/zinc/32/29/74/988322974.db2.gz DPEQFJNMJVMGSJ-IRXDYDNUSA-N -1 0 339.435 3.909 20 0 EHADRM CCc1ccc2c(c1)CCN(C(=O)CC1(CC(=O)[O-])CCCC1)C2 ZINC001597569576 988336072 /nfs/dbraw/zinc/33/60/72/988336072.db2.gz UJAJKTWGEVIBGK-UHFFFAOYSA-N -1 0 329.440 3.559 20 0 EHADRM CCc1ccc2ccccc2c1CNC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC001597569614 988337220 /nfs/dbraw/zinc/33/72/20/988337220.db2.gz XXCLBAYRQOYAQN-MRXNPFEDSA-N -1 0 340.423 3.551 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)CC2CC(C)(C)C2)cc1 ZINC001599811354 988340226 /nfs/dbraw/zinc/34/02/26/988340226.db2.gz VKBGGRNDYGDRDF-OAHLLOKOSA-N -1 0 335.469 3.867 20 0 EHADRM CCc1ccc2occ(C(=O)N(CC(=O)[O-])c3cccc(F)c3)c2c1 ZINC001597570590 988347007 /nfs/dbraw/zinc/34/70/07/988347007.db2.gz QURMULZXKOKRJE-UHFFFAOYSA-N -1 0 341.338 3.866 20 0 EHADRM CCc1ccc2occ(C(=O)O[C@H](C)c3nc(C(=O)[O-])co3)c2c1 ZINC001597570608 988347690 /nfs/dbraw/zinc/34/76/90/988347690.db2.gz RSIHIHYAJBXJLZ-SECBINFHSA-N -1 0 329.308 3.599 20 0 EHADRM CCc1cccc(C(=O)Nc2cccc(SCCC(=O)[O-])c2)c1O ZINC001597576752 988367813 /nfs/dbraw/zinc/36/78/13/988367813.db2.gz SPJBELJQFHBYHH-UHFFFAOYSA-N -1 0 345.420 3.774 20 0 EHADRM CSc1ccc(C)c(NC(=O)N[C@@H](CC(=O)[O-])C2CCCC2)c1 ZINC001599813268 988375797 /nfs/dbraw/zinc/37/57/97/988375797.db2.gz VODOZMKPVVYHIV-HNNXBMFYSA-N -1 0 336.457 3.872 20 0 EHADRM CCc1cccc(C)c1NC(=O)CNc1cc(C(=O)[O-])ccc1Cl ZINC001597579461 988380485 /nfs/dbraw/zinc/38/04/85/988380485.db2.gz YYOFCTZWDZUTIV-UHFFFAOYSA-N -1 0 346.814 3.960 20 0 EHADRM CSc1ccc(NC(=O)c2cc(=O)[nH]c(C(C)C)c2)cc1C(=O)[O-] ZINC001599816750 988439690 /nfs/dbraw/zinc/43/96/90/988439690.db2.gz ARMOIEXUFNGDBR-UHFFFAOYSA-N -1 0 346.408 3.583 20 0 EHADRM CSc1ccc(NC(=O)c2cncc3ccccc32)cc1C(=O)[O-] ZINC001599816844 988441925 /nfs/dbraw/zinc/44/19/25/988441925.db2.gz CQFAYZFDQRAKEP-UHFFFAOYSA-N -1 0 338.388 3.907 20 0 EHADRM CCc1cccc(NC(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1 ZINC001597595635 988443163 /nfs/dbraw/zinc/44/31/63/988443163.db2.gz VJYIMHDKAJGCPS-QZTJIDSGSA-N -1 0 338.407 3.581 20 0 EHADRM CSc1ccc(NC(=O)c2ccnc(C3CC3)c2)cc1C(=O)[O-] ZINC001599816935 988443218 /nfs/dbraw/zinc/44/32/18/988443218.db2.gz GAYUHTJXTABPSP-UHFFFAOYSA-N -1 0 328.393 3.631 20 0 EHADRM CSc1ccc(NC(=O)c2cccnc2C2CC2)cc1C(=O)[O-] ZINC001599817708 988456208 /nfs/dbraw/zinc/45/62/08/988456208.db2.gz QQFMWKYJYAXSPL-UHFFFAOYSA-N -1 0 328.393 3.631 20 0 EHADRM CCc1cccc2c1N(C(=O)CCc1ccccc1C(=O)[O-])CCC2 ZINC001597603231 988462190 /nfs/dbraw/zinc/46/21/90/988462190.db2.gz NXOXHLWWMLMNDE-UHFFFAOYSA-N -1 0 337.419 3.859 20 0 EHADRM CSc1ccc(NC(=O)N2C[C@@H]3CC=CC[C@@H]3C2)cc1C(=O)[O-] ZINC001599818267 988466452 /nfs/dbraw/zinc/46/64/52/988466452.db2.gz PTPDRUMLEVBLNE-TXEJJXNPSA-N -1 0 332.425 3.537 20 0 EHADRM CSc1ccc(NC(=O)N[C@H](C)c2c(C)noc2C)cc1C(=O)[O-] ZINC001599818554 988471399 /nfs/dbraw/zinc/47/13/99/988471399.db2.gz VJWCSEXULVXXKU-MRVPVSSYSA-N -1 0 349.412 3.594 20 0 EHADRM CSc1ccc(NC(=O)N[C@@H](CC(=O)[O-])Cc2ccccc2)cc1 ZINC001599819022 988479421 /nfs/dbraw/zinc/47/94/21/988479421.db2.gz HGDBFFAGXHXDDI-OAHLLOKOSA-N -1 0 344.436 3.616 20 0 EHADRM CCc1ccccc1C(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC001597604852 988484294 /nfs/dbraw/zinc/48/42/94/988484294.db2.gz UQKWWJFAQRNAEF-UHFFFAOYSA-N -1 0 349.390 3.694 20 0 EHADRM CSc1ccc(OCCOc2cnc(Cl)cc2C(=O)[O-])cc1 ZINC001599820496 988505479 /nfs/dbraw/zinc/50/54/79/988505479.db2.gz XZLCVEJVJQJCBR-UHFFFAOYSA-N -1 0 339.800 3.613 20 0 EHADRM CSc1ccc(NC[C@H]2C[C@@]2(C)Br)cc1C(=O)[O-] ZINC001599820768 988509779 /nfs/dbraw/zinc/50/97/79/988509779.db2.gz LYOJIWBZHLLFOK-AMIZOPFISA-N -1 0 330.247 3.692 20 0 EHADRM CSc1ccc([C@@H](C)NC(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC001599820869 988510777 /nfs/dbraw/zinc/51/07/77/988510777.db2.gz COSWEWFYMHOFLB-GFCCVEGCSA-N -1 0 344.436 3.667 20 0 EHADRM CC(C)(C)OC(=O)CCS[C@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001589877621 988539091 /nfs/dbraw/zinc/53/90/91/988539091.db2.gz AUUXICWATBRIHI-CYBMUJFWSA-N -1 0 344.860 3.801 20 0 EHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001597621684 988551825 /nfs/dbraw/zinc/55/18/25/988551825.db2.gz QJCWLIQDUYYREP-RYQLBKOJSA-N -1 0 343.467 3.702 20 0 EHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)Oc1c(OC)cccc1C(=O)[O-] ZINC001597622294 988559778 /nfs/dbraw/zinc/55/97/78/988559778.db2.gz YWWVEYZLRHDKAZ-JKSUJKDBSA-N -1 0 340.375 3.665 20 0 EHADRM CSc1ccccc1CC(=O)Nc1cccc(C(=O)[O-])c1Cl ZINC001599823774 988561657 /nfs/dbraw/zinc/56/16/57/988561657.db2.gz DCFHXZSXIGBYHC-UHFFFAOYSA-N -1 0 335.812 3.941 20 0 EHADRM CSc1cccc(NC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)c1 ZINC001599824619 988576518 /nfs/dbraw/zinc/57/65/18/988576518.db2.gz HYLRNKNHNFVEJP-UHFFFAOYSA-N -1 0 342.380 3.627 20 0 EHADRM CCc1cnc(CN[C@@H](C(=O)[O-])c2ccc3ccccc3c2)s1 ZINC001597631366 988596741 /nfs/dbraw/zinc/59/67/41/988596741.db2.gz UTKURHOKJRVXFQ-QGZVFWFLSA-N -1 0 326.421 3.774 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1ccc(C(F)F)cc1 ZINC001599832060 988689188 /nfs/dbraw/zinc/68/91/88/988689188.db2.gz JZBPRUVWTXDMEN-LBPRGKRZSA-N -1 0 333.334 3.740 20 0 EHADRM CCc1nc(C(C)C)ccc1C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001597652060 988696761 /nfs/dbraw/zinc/69/67/61/988696761.db2.gz IIWIBILFLMJQII-HNNXBMFYSA-N -1 0 346.471 3.778 20 0 EHADRM CCc1nc(C)c([C@H](C)N(C)Cc2cc(C(=O)[O-])c(CC)[nH]2)s1 ZINC001597656470 988709468 /nfs/dbraw/zinc/70/94/68/988709468.db2.gz CLFSNJZIMBYWPA-NSHDSACASA-N -1 0 335.473 3.796 20 0 EHADRM C[C@@H](C(=O)Oc1ccc(C(=O)[O-])cc1Br)c1ccccc1 ZINC001599833611 988710161 /nfs/dbraw/zinc/71/01/61/988710161.db2.gz PCNZYLVJXVBPRB-SNVBAGLBSA-N -1 0 349.180 3.856 20 0 EHADRM C[C@@H](CC1CCCCC1)NC(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001599835224 988731322 /nfs/dbraw/zinc/73/13/22/988731322.db2.gz UHBPJCWUFOSESF-JTQLQIEISA-N -1 0 339.823 3.914 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccc2c(c1)CCCC2 ZINC001599840721 988823703 /nfs/dbraw/zinc/82/37/03/988823703.db2.gz PGIXIYDILDCLRB-GFCCVEGCSA-N -1 0 341.382 3.894 20 0 EHADRM CCc1nc2sccc2c(NCCc2ccccc2C(=O)[O-])n1 ZINC001597685352 988831772 /nfs/dbraw/zinc/83/17/72/988831772.db2.gz KGBXHAQDBPXAAK-UHFFFAOYSA-N -1 0 327.409 3.607 20 0 EHADRM CCc1nnc(S[C@H](C(=O)[O-])c2cccc(Cl)c2Cl)o1 ZINC001597736023 989083843 /nfs/dbraw/zinc/08/38/43/989083843.db2.gz OKMUFQFNYPCMTF-JTQLQIEISA-N -1 0 333.196 3.857 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)c1cc(C2CC2)cnc1Cl ZINC001597772366 989238760 /nfs/dbraw/zinc/23/87/60/989238760.db2.gz JFNOENSKZAGHNM-UHFFFAOYSA-N -1 0 349.770 3.823 20 0 EHADRM CCc1oc2ccccc2c1CC(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC001597807784 989421479 /nfs/dbraw/zinc/42/14/79/989421479.db2.gz KOYGUCOPHCRGHO-MGPUTAFESA-N -1 0 343.423 3.687 20 0 EHADRM CCc1oc2ccccc2c1C(=O)Nc1cc(C)c(C(=O)[O-])c(C)n1 ZINC001597808257 989424774 /nfs/dbraw/zinc/42/47/74/989424774.db2.gz VXMIYMQZDOZFSA-UHFFFAOYSA-N -1 0 338.363 3.958 20 0 EHADRM CCc1sc(C(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)cc1C ZINC001597818309 989452641 /nfs/dbraw/zinc/45/26/41/989452641.db2.gz PIWIPNKDLPSQES-UHFFFAOYSA-N -1 0 338.454 3.690 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC001599882847 989508614 /nfs/dbraw/zinc/50/86/14/989508614.db2.gz GVXQLUGOWQGDTD-WWGRRREGSA-N -1 0 342.222 3.563 20 0 EHADRM CCn1c(C)nnc1S[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001597845488 989562143 /nfs/dbraw/zinc/56/21/43/989562143.db2.gz XQZGDSFXCIOLCV-LLVKDONJSA-N -1 0 346.239 3.831 20 0 EHADRM CCn1cc(C(=O)NC2(CCC(=O)[O-])CCCCC2)c2ccccc21 ZINC001597873921 989680091 /nfs/dbraw/zinc/68/00/91/989680091.db2.gz BEJQZEPPLADCFD-UHFFFAOYSA-N -1 0 342.439 3.959 20 0 EHADRM CCn1cc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c(C(C)C)n1 ZINC001597877039 989694169 /nfs/dbraw/zinc/69/41/69/989694169.db2.gz NXJWBVKOYHSEOL-UHFFFAOYSA-N -1 0 329.400 3.594 20 0 EHADRM CC(C)(C)O[C@H]1C[C@H](NC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC001590409632 989948725 /nfs/dbraw/zinc/94/87/25/989948725.db2.gz XFCWVDYDZIVBON-XYPYZODXSA-N -1 0 340.807 3.506 20 0 EHADRM CC(C)(C)Oc1cccc(NC(=O)NCC2(C(=O)[O-])CCCC2)c1 ZINC001590419892 989961966 /nfs/dbraw/zinc/96/19/66/989961966.db2.gz KMPDNFIVFSRTHU-UHFFFAOYSA-N -1 0 334.416 3.630 20 0 EHADRM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001590435034 989994837 /nfs/dbraw/zinc/99/48/37/989994837.db2.gz SDOXTGSUXITYCO-ZACQAIPSSA-N -1 0 325.408 3.764 20 0 EHADRM CC(C)(C)c1cc(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)nc(C(C)(C)C)n1 ZINC001590463332 990037712 /nfs/dbraw/zinc/03/77/12/990037712.db2.gz ITIHYUUTKKUBME-UONOGXRCSA-N -1 0 345.487 3.619 20 0 EHADRM CC(C)(C)c1ccc(/C=C\C(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC001590479447 990052801 /nfs/dbraw/zinc/05/28/01/990052801.db2.gz AYRUFSQPFKMASO-RNUYOQPASA-N -1 0 337.419 3.939 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2CCCSC2)cc1 ZINC001590481473 990072678 /nfs/dbraw/zinc/07/26/78/990072678.db2.gz DDDCULACHINXIX-ZBFHGGJFSA-N -1 0 349.496 3.759 20 0 EHADRM CC(C)(C)c1ccc(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)cc1 ZINC001590481583 990073998 /nfs/dbraw/zinc/07/39/98/990073998.db2.gz ITEQJQVKWKZKQD-UHFFFAOYSA-N -1 0 337.379 3.811 20 0 EHADRM CC(C)(C)c1ccc(CNC(=O)c2ccccc2CCC(=O)[O-])s1 ZINC001590487536 990088277 /nfs/dbraw/zinc/08/82/77/990088277.db2.gz OOMBNXWSKTWAOM-UHFFFAOYSA-N -1 0 345.464 3.993 20 0 EHADRM CC(C)(C)c1cn(Cc2c(Br)cccc2C(=O)[O-])cn1 ZINC001590515567 990128272 /nfs/dbraw/zinc/12/82/72/990128272.db2.gz SCEDUSZXCIDWNY-UHFFFAOYSA-N -1 0 337.217 3.690 20 0 EHADRM CN(C(=O)/C=C\c1ccc(C(=O)[O-])o1)c1cc(Cl)cc(Cl)c1 ZINC001598006631 990160872 /nfs/dbraw/zinc/16/08/72/990160872.db2.gz PSYFDLNPWCRWPW-HYXAFXHYSA-N -1 0 340.162 3.961 20 0 EHADRM CC(C)(C)c1ncc(COC(=O)CCc2ccccc2C(=O)[O-])s1 ZINC001590555983 990193883 /nfs/dbraw/zinc/19/38/83/990193883.db2.gz GJSUUYSJOMATQT-UHFFFAOYSA-N -1 0 347.436 3.815 20 0 EHADRM CC(C)(C)c1noc(COc2cccc3c(CC(=O)[O-])cccc23)n1 ZINC001590583472 990230160 /nfs/dbraw/zinc/23/01/60/990230160.db2.gz NKVICUZKJCLDMZ-UHFFFAOYSA-N -1 0 340.379 3.726 20 0 EHADRM CC(C)(/C=C\Cl)NC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001590614912 990284211 /nfs/dbraw/zinc/28/42/11/990284211.db2.gz AVKXMEIGRBJZRI-SREVYHEPSA-N -1 0 342.848 3.657 20 0 EHADRM CC(C)(/C=C/Cl)NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001590615452 990289899 /nfs/dbraw/zinc/28/98/99/990289899.db2.gz VEKZUXCWMFXLLI-NHAQELONSA-N -1 0 338.835 3.669 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC001590627889 990317111 /nfs/dbraw/zinc/31/71/11/990317111.db2.gz PJPHBLMQQDEICK-MRXNPFEDSA-N -1 0 341.810 3.937 20 0 EHADRM CC(C)(CC(F)(F)F)NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001590648756 990334092 /nfs/dbraw/zinc/33/40/92/990334092.db2.gz FDACWSSVKNAOJO-UHFFFAOYSA-N -1 0 338.713 3.891 20 0 EHADRM CC(C)(CC(F)(F)F)NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001590648812 990334573 /nfs/dbraw/zinc/33/45/73/990334573.db2.gz ILVWWYMDUWXWMR-UHFFFAOYSA-N -1 0 346.349 3.901 20 0 EHADRM CC(C)(CC(=O)Oc1ccc(SCC(=O)[O-])cc1)C(F)(F)F ZINC001590648910 990335586 /nfs/dbraw/zinc/33/55/86/990335586.db2.gz LGVGAJOOQBERJS-UHFFFAOYSA-N -1 0 336.331 3.747 20 0 EHADRM CN(C(=O)c1cc(C(=O)[O-])co1)c1nc2cc(Cl)ccc2s1 ZINC001598079215 990391856 /nfs/dbraw/zinc/39/18/56/990391856.db2.gz KUXAEKULKULMNJ-UHFFFAOYSA-N -1 0 336.756 3.518 20 0 EHADRM CN(C(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccc2ccccc2n1 ZINC001598079378 990393680 /nfs/dbraw/zinc/39/36/80/990393680.db2.gz OWUGMWCLXFWQBE-UHFFFAOYSA-N -1 0 340.766 3.863 20 0 EHADRM COc1cc(NC(=O)c2cccc(Br)c2[O-])ccc1F ZINC000547723207 1015576133 /nfs/dbraw/zinc/57/61/33/1015576133.db2.gz TZZOFKSMVFHEDR-UHFFFAOYSA-N -1 0 340.148 3.555 20 0 EHADRM CC(C)(CSc1nnc(-c2ccccc2F)n1C1CC1)C(=O)[O-] ZINC001590819899 990651514 /nfs/dbraw/zinc/65/15/14/990651514.db2.gz AFZIQWSVSWFYMV-UHFFFAOYSA-N -1 0 335.404 3.622 20 0 EHADRM CC(C)(Cc1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001590822032 990662673 /nfs/dbraw/zinc/66/26/73/990662673.db2.gz QGKCWTIGZDTIBL-UHFFFAOYSA-N -1 0 332.787 3.641 20 0 EHADRM CC(C)(Cc1ccccc1Cl)NC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001590826796 990669967 /nfs/dbraw/zinc/66/99/67/990669967.db2.gz JTGCVHIOMMRFBA-UHFFFAOYSA-N -1 0 347.802 3.576 20 0 EHADRM CC(C)(Nc1ccccc1)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O ZINC001590880914 990798866 /nfs/dbraw/zinc/79/88/66/990798866.db2.gz MQVRPSOYUBVOTH-UHFFFAOYSA-N -1 0 348.786 3.573 20 0 EHADRM CC(C)(Oc1ccccc1)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001590906774 990870792 /nfs/dbraw/zinc/87/07/92/990870792.db2.gz DKSNVSHUGUAMJT-UHFFFAOYSA-N -1 0 333.771 3.834 20 0 EHADRM CC(C)=CCC[C@@H](C)NC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001590922245 990918400 /nfs/dbraw/zinc/91/84/00/990918400.db2.gz VMUZSGPFTRZMRJ-CQSZACIVSA-N -1 0 328.412 3.591 20 0 EHADRM COc1cccc(SCc2nc(-c3cccc(C(=O)[O-])c3)no2)c1 ZINC001599683923 990956894 /nfs/dbraw/zinc/95/68/94/990956894.db2.gz GNIRYRKYWXHKKE-UHFFFAOYSA-N -1 0 342.376 3.736 20 0 EHADRM COc1cccc([C@H]2C[C@H](NC(=O)Nc3ccc(C(=O)[O-])s3)C2)c1 ZINC001599687900 991016640 /nfs/dbraw/zinc/01/66/40/991016640.db2.gz CPLJIRLOEZDUNU-HAQNSBGRSA-N -1 0 346.408 3.523 20 0 EHADRM CC(C)[C@@H](C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-])c1ccc(F)cc1 ZINC001590957722 991042165 /nfs/dbraw/zinc/04/21/65/991042165.db2.gz QEJORLUFJUMQKO-SJLPKXTDSA-N -1 0 349.446 3.963 20 0 EHADRM CC(C)[C@H](CC(=O)N[C@H](CC(=O)[O-])C1CCCC1)c1ccccc1 ZINC001590976073 991121547 /nfs/dbraw/zinc/12/15/47/991121547.db2.gz KWSOAUVYJKMPBT-ZWKOTPCHSA-N -1 0 331.456 3.966 20 0 EHADRM CC(C)[C@@H](CC(F)(F)F)NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001590976603 991126284 /nfs/dbraw/zinc/12/62/84/991126284.db2.gz UGTPIBSNMYALNX-CYBMUJFWSA-N -1 0 346.349 3.802 20 0 EHADRM CC(C)[C@H](CCc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001590980301 991130108 /nfs/dbraw/zinc/13/01/08/991130108.db2.gz AJQPPBAVLFHOHL-INIZCTEOSA-N -1 0 326.396 3.623 20 0 EHADRM COc1ccccc1-c1nnc(SCc2cc(C(=O)[O-])c(C)o2)o1 ZINC001599694718 991130650 /nfs/dbraw/zinc/13/06/50/991130650.db2.gz MICSZAROEIDIGV-UHFFFAOYSA-N -1 0 346.364 3.637 20 0 EHADRM CC(C)[C@@H](CCc1ccccc1)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC001590981590 991143051 /nfs/dbraw/zinc/14/30/51/991143051.db2.gz YDQAJHKAGKURHR-GOSISDBHSA-N -1 0 331.456 3.605 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001590993724 991214478 /nfs/dbraw/zinc/21/44/78/991214478.db2.gz PTUNXEGGUNRBOG-KRWDZBQOSA-N -1 0 326.396 3.774 20 0 EHADRM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001590993967 991216500 /nfs/dbraw/zinc/21/65/00/991216500.db2.gz VNKQFYHCUVYHRN-KRWDZBQOSA-N -1 0 349.446 3.934 20 0 EHADRM COc1ccccc1CC(C)(C)NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001599704222 991268611 /nfs/dbraw/zinc/26/86/11/991268611.db2.gz GIHFWDFNAVAUCO-UHFFFAOYSA-N -1 0 347.455 3.558 20 0 EHADRM COc1ccccc1[C@H]1CCCCN1C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001599704573 991273403 /nfs/dbraw/zinc/27/34/03/991273403.db2.gz SNGOKKMWHYVWRL-ZMSDIMECSA-N -1 0 345.439 3.640 20 0 EHADRM CN(C)c1cc(NCc2cc(C(=O)[O-])co2)cc(C(F)(F)F)c1 ZINC001598307782 991278184 /nfs/dbraw/zinc/27/81/84/991278184.db2.gz KVZIMSDODXEKIX-UHFFFAOYSA-N -1 0 328.290 3.675 20 0 EHADRM CC(C)[C@@H](NC(=O)c1ccc(C(=O)[O-])n1C)c1ccccc1Cl ZINC001591018609 991297591 /nfs/dbraw/zinc/29/75/91/991297591.db2.gz BYIUUEUDEWSFCA-OAHLLOKOSA-N -1 0 334.803 3.504 20 0 EHADRM CC(C)[C@@H](NCc1ccc(C(=O)[O-])cc1F)c1nc2ccccc2[nH]1 ZINC001591030282 991331120 /nfs/dbraw/zinc/33/11/20/991331120.db2.gz HHSXJQJRZKQQDX-QGZVFWFLSA-N -1 0 341.386 3.887 20 0 EHADRM CN(C)c1ccc(OC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1C(=O)[O-] ZINC001598329469 991362334 /nfs/dbraw/zinc/36/23/34/991362334.db2.gz RRHKDOZTSKDDHQ-SOUVJXGZSA-N -1 0 345.439 3.963 20 0 EHADRM CC(C)C1(C)CCN(C(=O)Nc2cc(C(=O)[O-])cnc2Cl)CC1 ZINC001591062577 991509433 /nfs/dbraw/zinc/50/94/33/991509433.db2.gz YCSPGPASNWBFEW-UHFFFAOYSA-N -1 0 339.823 3.723 20 0 EHADRM CC(C)[C@@H]1C[C@H](COC(=O)c2cc(C(=O)[O-])ccc2Cl)CCO1 ZINC001591076555 991559265 /nfs/dbraw/zinc/55/92/65/991559265.db2.gz PZNZDTOTJKSVBD-ABAIWWIYSA-N -1 0 340.803 3.646 20 0 EHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)N2CCC(CCC(=O)[O-])CC2)CC1 ZINC001591081731 991593150 /nfs/dbraw/zinc/59/31/50/991593150.db2.gz KOJGQAMICAKBIP-SJORKVTESA-N -1 0 338.492 3.878 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)[C@H]1C(C)C ZINC001591092917 991651233 /nfs/dbraw/zinc/65/12/33/991651233.db2.gz HBMPLEOSGBYISH-YOEHRIQHSA-N -1 0 336.407 3.597 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)Nc2cc(C(=O)[O-])cnc2Cl)[C@H]1C(C)C ZINC001591093706 991662159 /nfs/dbraw/zinc/66/21/59/991662159.db2.gz ZKGJLIHQSKHHFM-AAEUAGOBSA-N -1 0 339.823 3.578 20 0 EHADRM CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1csc(C(=O)[O-])n1 ZINC001591094432 991672889 /nfs/dbraw/zinc/67/28/89/991672889.db2.gz LBFLGVJHINMSFG-WFASDCNBSA-N -1 0 344.436 3.531 20 0 EHADRM CC(C)[C@H]1N(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC12CC=CC2 ZINC001591099065 991707134 /nfs/dbraw/zinc/70/71/34/991707134.db2.gz JXTZEEKZPADTHR-VNCLNFNDSA-N -1 0 331.456 3.615 20 0 EHADRM CC(C)C[C@@H](C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-])n1ccnc1 ZINC001591120432 991792784 /nfs/dbraw/zinc/79/27/84/991792784.db2.gz NAGJJDBQPWCQQR-KRWDZBQOSA-N -1 0 343.427 3.931 20 0 EHADRM CC(C)C[C@H](C)C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC001591131039 991825241 /nfs/dbraw/zinc/82/52/41/991825241.db2.gz OYRSAFKZGADMAV-HNAYVOBHSA-N -1 0 341.451 3.882 20 0 EHADRM CN(CC1=CCCC1)[C@H](C(=O)[O-])c1ccc(Br)s1 ZINC001598447296 991885612 /nfs/dbraw/zinc/88/56/12/991885612.db2.gz UGCHSDKGVQDHQY-LBPRGKRZSA-N -1 0 330.247 3.678 20 0 EHADRM CC(C)C[C@@H]1CCCCN1C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001591205828 992030257 /nfs/dbraw/zinc/03/02/57/992030257.db2.gz KDJPLHZDWUPFHQ-HNNXBMFYSA-N -1 0 347.459 3.883 20 0 EHADRM CN(CCC1CCCCC1)C(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001598471868 992038174 /nfs/dbraw/zinc/03/81/74/992038174.db2.gz FNVZZAQLAHTEEZ-PXNSSMCTSA-N -1 0 329.440 3.674 20 0 EHADRM CN(CCC1CCCCC1)C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001598472140 992042354 /nfs/dbraw/zinc/04/23/54/992042354.db2.gz JTXYMPUWFOPVBR-UHFFFAOYSA-N -1 0 342.439 3.768 20 0 EHADRM CC(C)CCCCCCNC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001591236489 992117515 /nfs/dbraw/zinc/11/75/15/992117515.db2.gz HLKLTGCWGHCILC-LBPRGKRZSA-N -1 0 341.477 3.808 20 0 EHADRM CC(C)CCCCCCNC(=O)NC(C)(C)c1cc(C(=O)[O-])on1 ZINC001591236820 992119808 /nfs/dbraw/zinc/11/98/08/992119808.db2.gz POMBRAXYTFKPGJ-UHFFFAOYSA-N -1 0 339.436 3.514 20 0 EHADRM CC(C)CCn1ccc(NC(=O)Nc2ccc(CCC(=O)[O-])cc2)n1 ZINC001591277214 992201964 /nfs/dbraw/zinc/20/19/64/992201964.db2.gz UDKLPMPLBDICIO-UHFFFAOYSA-N -1 0 344.415 3.590 20 0 EHADRM CC(C)CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)C(C)(C)C(=O)[O-] ZINC001591280392 992209038 /nfs/dbraw/zinc/20/90/38/992209038.db2.gz ILRVUIYDPLWMKW-LSDHHAIUSA-N -1 0 337.847 3.791 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC001591291234 992241877 /nfs/dbraw/zinc/24/18/77/992241877.db2.gz VYNFAWTUHANDQR-QWHCGFSZSA-N -1 0 344.238 3.666 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC001591312939 992273425 /nfs/dbraw/zinc/27/34/25/992273425.db2.gz DARKLHPFPBUVFC-UHFFFAOYSA-N -1 0 342.439 3.891 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)/C=C\Sc1cc(F)ccc1F ZINC001591323517 992295856 /nfs/dbraw/zinc/29/58/56/992295856.db2.gz KRXANEQPMGYROI-VURMDHGXSA-N -1 0 343.395 3.530 20 0 EHADRM CC(C)CN(CCC(=O)[O-])c1ncnc2sc3c(c21)CC[C@@H](C)C3 ZINC001591339700 992319098 /nfs/dbraw/zinc/31/90/98/992319098.db2.gz USHMLMZWNWKLSS-GFCCVEGCSA-N -1 0 347.484 3.753 20 0 EHADRM CS[C@@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1C)c1ccccc1 ZINC001599781263 992367684 /nfs/dbraw/zinc/36/76/84/992367684.db2.gz OIJSXBBVTPKKEO-OAHLLOKOSA-N -1 0 333.384 3.875 20 0 EHADRM CN(CCOCC1CCC1)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598498304 992393142 /nfs/dbraw/zinc/39/31/42/992393142.db2.gz VRMKTJWYHGZKFY-OAHLLOKOSA-N -1 0 346.254 3.868 20 0 EHADRM CC(C)COC[C@@H](N[C@@H](C(=O)[O-])c1ccccc1F)c1ccco1 ZINC001591390687 992445621 /nfs/dbraw/zinc/44/56/21/992445621.db2.gz JRUWZDMQTFRBAU-NVXWUHKLSA-N -1 0 335.375 3.548 20 0 EHADRM CN(Cc1ccc(-c2ccsc2)cc1)[C@H](COC1CCC1)C(=O)[O-] ZINC001598508881 992541016 /nfs/dbraw/zinc/54/10/16/992541016.db2.gz JIYYUFCTCZJYEW-GOSISDBHSA-N -1 0 345.464 3.869 20 0 EHADRM CC(C)C[C@@H]1C[C@H]1NC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001591444827 992544051 /nfs/dbraw/zinc/54/40/51/992544051.db2.gz XSUXUASPTLENNR-LZLYRXPVSA-N -1 0 344.455 3.539 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1ccsc1C(F)(F)F ZINC001598512305 992577662 /nfs/dbraw/zinc/57/76/62/992577662.db2.gz ZNOKSJJGSRIQQA-UHFFFAOYSA-N -1 0 343.326 3.737 20 0 EHADRM CC(C)Cc1ccc(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)s1 ZINC001591477659 992599118 /nfs/dbraw/zinc/59/91/18/992599118.db2.gz UMTJCDDCIGFEQI-MRXNPFEDSA-N -1 0 343.448 3.771 20 0 EHADRM CC(C)Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)cc1 ZINC001591477728 992600039 /nfs/dbraw/zinc/60/00/39/992600039.db2.gz YXLVEEBTXFYXKQ-QYZOEREBSA-N -1 0 343.467 3.991 20 0 EHADRM CC(C)Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)cc1 ZINC001591477725 992600208 /nfs/dbraw/zinc/60/02/08/992600208.db2.gz YXLVEEBTXFYXKQ-CEXWTWQISA-N -1 0 343.467 3.991 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])cc1 ZINC001591484140 992608331 /nfs/dbraw/zinc/60/83/31/992608331.db2.gz SARQMAFUCYPPDF-ZWKOTPCHSA-N -1 0 331.456 3.577 20 0 EHADRM CC(C)Cc1ccc(CCCC(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)cc1 ZINC001591484538 992611285 /nfs/dbraw/zinc/61/12/85/992611285.db2.gz ZRWFCYDKSVPETJ-HDICACEKSA-N -1 0 331.456 3.529 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)NC[C@@H](CC(=O)[O-])C2CC2)c1 ZINC001591488675 992617008 /nfs/dbraw/zinc/61/70/08/992617008.db2.gz IVVXDVJZXMEHFJ-KBXCAEBGSA-N -1 0 331.456 3.606 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C)cc1 ZINC001591488658 992617019 /nfs/dbraw/zinc/61/70/19/992617019.db2.gz ILCHTPXNHQHEKT-RVKKMQEKSA-N -1 0 331.456 3.700 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC001591489316 992619850 /nfs/dbraw/zinc/61/98/50/992619850.db2.gz QBTGBOOHVSPXRC-HNNXBMFYSA-N -1 0 331.456 3.892 20 0 EHADRM CC(C)Cc1ccccc1C[S@@](=O)[C@@H](C)c1nc(C(=O)[O-])co1 ZINC001591490968 992626140 /nfs/dbraw/zinc/62/61/40/992626140.db2.gz QACVREFIDQCDLY-DAOPMYJZSA-N -1 0 335.425 3.581 20 0 EHADRM CN(Cc1ccc(F)c(Cl)c1)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC001598517850 992639702 /nfs/dbraw/zinc/63/97/02/992639702.db2.gz YVYDQDWXESXUQB-UHFFFAOYSA-N -1 0 342.779 3.903 20 0 EHADRM CC(C)Cn1c(S[C@H](C(=O)[O-])C(C)(C)C)nnc1-c1ccco1 ZINC001591516025 992678707 /nfs/dbraw/zinc/67/87/07/992678707.db2.gz FJJVQXHGWUSGLI-GFCCVEGCSA-N -1 0 337.445 3.786 20 0 EHADRM CC(C)N(C(=O)c1cc(C(=O)[O-])co1)c1ccc(F)cc1Cl ZINC001591543334 992726453 /nfs/dbraw/zinc/72/64/53/992726453.db2.gz GPPYODSUALXZLZ-UHFFFAOYSA-N -1 0 325.723 3.826 20 0 EHADRM CC(C)N(CC(=O)OC(C)(C)C)Cc1cc(C(=O)[O-])ccc1Cl ZINC001591570998 992774060 /nfs/dbraw/zinc/77/40/60/992774060.db2.gz GBGGDXQVMPIUBN-UHFFFAOYSA-N -1 0 341.835 3.590 20 0 EHADRM CN(Cc1ccccn1)C(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001598531172 992782202 /nfs/dbraw/zinc/78/22/02/992782202.db2.gz ZCOVNMJRQPOLOH-UHFFFAOYSA-N -1 0 346.386 3.719 20 0 EHADRM CN(Cc1ccncc1)C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001598531254 992783379 /nfs/dbraw/zinc/78/33/79/992783379.db2.gz DRBQYSFUGRRSNX-UHFFFAOYSA-N -1 0 341.392 3.658 20 0 EHADRM CN(Cc1cccs1)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001598531879 992791224 /nfs/dbraw/zinc/79/12/24/992791224.db2.gz VGFGVPULESWBHE-UHFFFAOYSA-N -1 0 342.779 3.903 20 0 EHADRM CC(C)N(Cc1cc(Br)ccc1C(=O)[O-])CC(F)F ZINC001591596851 992824792 /nfs/dbraw/zinc/82/47/92/992824792.db2.gz QYWZPYOOJGBRCM-UHFFFAOYSA-N -1 0 336.176 3.623 20 0 EHADRM CC(C)N(Cc1cccc(F)c1)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001591600715 992832928 /nfs/dbraw/zinc/83/29/28/992832928.db2.gz TUACGTVDAUAESO-UHFFFAOYSA-N -1 0 335.419 3.988 20 0 EHADRM COc1ccsc1C(=O)N=c1cc(-c2ccc(Cl)s2)[nH][nH]1 ZINC000339850356 1015751077 /nfs/dbraw/zinc/75/10/77/1015751077.db2.gz QTGFJUAAFOOCFW-UHFFFAOYSA-N -1 0 339.829 3.536 20 0 EHADRM COc1ccc(N(CC(C)C)C(=O)/C=C\c2cc(C(=O)[O-])co2)cc1 ZINC001599584322 993592672 /nfs/dbraw/zinc/59/26/72/993592672.db2.gz MUWZSSMDPVQZKG-HJWRWDBZSA-N -1 0 343.379 3.689 20 0 EHADRM C[C@@H](NC(=O)NC[C@H](CC(=O)[O-])C1CC1)c1cccc2ccccc21 ZINC001593081109 993657266 /nfs/dbraw/zinc/65/72/66/993657266.db2.gz GAAFDVFCHKSIMU-CJNGLKHVSA-N -1 0 340.423 3.701 20 0 EHADRM C[C@H](NC(=O)NCC(C)(C)CC(=O)[O-])C1(c2ccccc2)CCCC1 ZINC001593081133 993657754 /nfs/dbraw/zinc/65/77/54/993657754.db2.gz GIODYALQCLJLFD-HNNXBMFYSA-N -1 0 346.471 3.687 20 0 EHADRM COc1ccc(NC(=O)/C(C)=C/c2ccc(C)cc2)c(C(=O)[O-])c1 ZINC001599589635 993662247 /nfs/dbraw/zinc/66/22/47/993662247.db2.gz DPZTWAGKIJMGKR-JLHYYAGUSA-N -1 0 325.364 3.744 20 0 EHADRM C[C@H](c1ccccc1)[C@H](C)NC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001593104489 993754664 /nfs/dbraw/zinc/75/46/64/993754664.db2.gz SJOHBUVHLIMWLJ-STQMWFEESA-N -1 0 344.386 3.515 20 0 EHADRM C[C@H](NC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(Cl)c2ccccc21 ZINC001593108286 993763064 /nfs/dbraw/zinc/76/30/64/993763064.db2.gz HRFMCKUROQMLPM-SDDRHHMPSA-N -1 0 346.814 3.717 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1cccc(F)c1F ZINC001593117047 993812459 /nfs/dbraw/zinc/81/24/59/993812459.db2.gz JLODOXXLPOTJSY-LLVKDONJSA-N -1 0 348.349 3.865 20 0 EHADRM C[C@@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001593139443 993916920 /nfs/dbraw/zinc/91/69/20/993916920.db2.gz ZWIKDXYCDCRWCU-ADEWGFFLSA-N -1 0 327.783 3.547 20 0 EHADRM COc1ccc(SCC2(CC(=O)[O-])CC2)cc1Br ZINC001599618156 994045724 /nfs/dbraw/zinc/04/57/24/994045724.db2.gz COJMXBXZWBMKJP-UHFFFAOYSA-N -1 0 331.231 3.805 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(C)c(C)c2C(=O)[O-])cc1 ZINC001599620002 994068038 /nfs/dbraw/zinc/06/80/38/994068038.db2.gz HMHIUMWTATXOSZ-JKSUJKDBSA-N -1 0 339.391 3.752 20 0 EHADRM COc1ccc([C@@H](C)N[C@H](C)c2cc(C)c(C(=O)[O-])o2)c(OC)c1 ZINC001599620783 994078760 /nfs/dbraw/zinc/07/87/60/994078760.db2.gz RUVXVGGEIIINOU-VXGBXAGGSA-N -1 0 333.384 3.715 20 0 EHADRM CC(C)(NC(=O)c1cc(F)c(F)c([O-])c1F)c1cccc(F)c1 ZINC000180040448 1015837063 /nfs/dbraw/zinc/83/70/63/1015837063.db2.gz SUMGNSGEBDLQHW-UHFFFAOYSA-N -1 0 327.277 3.614 20 0 EHADRM C[C@H](N[C@@H](C)c1ccccc1OCC(=O)[O-])c1cccc(F)c1F ZINC001593197296 994162237 /nfs/dbraw/zinc/16/22/37/994162237.db2.gz JIMROIBLLCOJDY-RYUDHWBXSA-N -1 0 335.350 3.840 20 0 EHADRM C[C@@H](N[C@@H](C)c1ccc(OCC(=O)[O-])cc1)c1nc2ccccc2o1 ZINC001593205352 994212244 /nfs/dbraw/zinc/21/22/44/994212244.db2.gz ZZMKTFVXFISHDL-QWHCGFSZSA-N -1 0 340.379 3.703 20 0 EHADRM COc1ccc2ccccc2c1CN[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001599634735 994270252 /nfs/dbraw/zinc/27/02/52/994270252.db2.gz DICQDDKJJXDFCR-LLVKDONJSA-N -1 0 342.420 3.854 20 0 EHADRM COc1ccc2cc(C(=O)Oc3ccc(CC(=O)[O-])cc3)ccc2c1 ZINC001599635965 994288252 /nfs/dbraw/zinc/28/82/52/994288252.db2.gz ZCGXXOMAMALICO-UHFFFAOYSA-N -1 0 336.343 3.695 20 0 EHADRM C[C@H](N[C@@H]1CCCn2nc(C(=O)[O-])cc21)c1nc(C(C)(C)C)cs1 ZINC001593218815 994291604 /nfs/dbraw/zinc/29/16/04/994291604.db2.gz KWKLGTXHYJFHPL-WDEREUQCSA-N -1 0 348.472 3.521 20 0 EHADRM COc1ccc2sc(C(=O)N([C@H](C)C(=O)[O-])C3CCC3)c(C)c2c1 ZINC001599638139 994319211 /nfs/dbraw/zinc/31/92/11/994319211.db2.gz DFKYRXIUGQSKFX-LLVKDONJSA-N -1 0 347.436 3.686 20 0 EHADRM COc1cccc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)c1C ZINC001599640646 994354064 /nfs/dbraw/zinc/35/40/64/994354064.db2.gz GONWYFLENGKUEK-LJQANCHMSA-N -1 0 349.386 3.713 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)c1cc2sccc2s1 ZINC001599643274 994389183 /nfs/dbraw/zinc/38/91/83/994389183.db2.gz FXEYOAKJBVLCBP-UHFFFAOYSA-N -1 0 347.417 3.946 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1cccc(C(F)(F)F)c1 ZINC001599643576 994392340 /nfs/dbraw/zinc/39/23/40/994392340.db2.gz JSWBCJMHMPPGHO-UHFFFAOYSA-N -1 0 340.253 3.631 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)CCc1ccc(SC)cc1 ZINC001599644981 994412438 /nfs/dbraw/zinc/41/24/38/994412438.db2.gz VBWUSCHAXQENPW-UHFFFAOYSA-N -1 0 346.404 3.654 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)CCc1cccc(Cl)c1 ZINC001599644955 994412459 /nfs/dbraw/zinc/41/24/59/994412459.db2.gz FNTPLIFTNWEBCR-UHFFFAOYSA-N -1 0 347.798 3.642 20 0 EHADRM COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)CCCC2CCCC2)c1 ZINC001599647955 994452512 /nfs/dbraw/zinc/45/25/12/994452512.db2.gz NZWSUIROKVMIFE-SFHVURJKSA-N -1 0 333.428 3.640 20 0 EHADRM COc1cccc(/C(C)=C\C(=O)Nc2cc(C)cc(C(=O)[O-])c2)c1 ZINC001599654365 994554426 /nfs/dbraw/zinc/55/44/26/994554426.db2.gz NDDAYQLKGNGPKU-LCYFTJDESA-N -1 0 325.364 3.744 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)O[C@H](C)c2cc(C(=O)[O-])co2)c1 ZINC001599654982 994563963 /nfs/dbraw/zinc/56/39/63/994563963.db2.gz GLEKPGAEKFBYPH-NWDGAFQWSA-N -1 0 332.352 3.784 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)Nc2cc(F)cc(C(=O)[O-])c2F)c1 ZINC001599655041 994564247 /nfs/dbraw/zinc/56/42/47/994564247.db2.gz INIRXCHRMLXMOH-JTQLQIEISA-N -1 0 349.333 3.804 20 0 EHADRM COc1cccc([C@@H](C)NC(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC001599657953 994611714 /nfs/dbraw/zinc/61/17/14/994611714.db2.gz RIECCAFDZHMDOG-SNVBAGLBSA-N -1 0 333.771 3.538 20 0 EHADRM COc1cccc([C@H](C)OC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC001599659041 994627637 /nfs/dbraw/zinc/62/76/37/994627637.db2.gz XWVLGJQMTOVHJX-MDAWKPQNSA-N -1 0 332.396 3.725 20 0 EHADRM COc1cccc(C[C@H](C)CC(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001599664777 994711818 /nfs/dbraw/zinc/71/18/18/994711818.db2.gz FNAQRSUZHOKEKA-LBPRGKRZSA-N -1 0 345.370 3.740 20 0 EHADRM COc1cccc([C@H]2C[C@@H]2C(=O)OCc2cc(C(=O)[O-])ccc2C)c1 ZINC001599665679 994726362 /nfs/dbraw/zinc/72/63/62/994726362.db2.gz NEDZSZVNPXEABL-MSOLQXFVSA-N -1 0 340.375 3.549 20 0 EHADRM COc1cccc(C[C@@H](C)CC(=O)Nc2scc(C(=O)[O-])c2C)c1 ZINC001599666880 994744692 /nfs/dbraw/zinc/74/46/92/994744692.db2.gz UCNZRONWVVTRRH-LLVKDONJSA-N -1 0 347.436 3.971 20 0 EHADRM C[C@H](Nc1nc(C2CCCC2)ns1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593373314 995065674 /nfs/dbraw/zinc/06/56/74/995065674.db2.gz BAEGXZAPKRZRTN-SWLSCSKDSA-N -1 0 345.468 3.940 20 0 EHADRM C[C@H](Nc1ncc(C(=O)[O-])cc1Cl)c1cccc(-n2cccn2)c1 ZINC001593373694 995067982 /nfs/dbraw/zinc/06/79/82/995067982.db2.gz HIHFNRIIEDTUMD-NSHDSACASA-N -1 0 342.786 3.792 20 0 EHADRM COC(=O)[C@@H](CC(C)(C)C)Sc1nc2ccc(C(=O)[O-])cc2o1 ZINC001598696334 995143878 /nfs/dbraw/zinc/14/38/78/995143878.db2.gz BAIKLIIEPDFMRP-GFCCVEGCSA-N -1 0 337.397 3.596 20 0 EHADRM O=C([O-])CCN(C(=O)c1ccc(-c2ccc(F)cc2)cc1F)C1CC1 ZINC000238054788 1015926548 /nfs/dbraw/zinc/92/65/48/1015926548.db2.gz SWCTYDWONJPEJZ-UHFFFAOYSA-N -1 0 345.345 3.711 20 0 EHADRM C[C@@H](Oc1cccc(/C=C2\CCc3cc(C#N)ccc3C2=O)c1)C(=O)[O-] ZINC000078696916 1015930412 /nfs/dbraw/zinc/93/04/12/1015930412.db2.gz NAUCVACXBPVMBY-LFMVTYOGSA-N -1 0 347.370 3.623 20 0 EHADRM COC(=O)[C@@H](Cc1ccc(C)cc1)S[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC001598705591 995282448 /nfs/dbraw/zinc/28/24/48/995282448.db2.gz WDFDURRKCLSPOY-BLLLJJGKSA-N -1 0 348.420 3.865 20 0 EHADRM COC(=O)[C@H](Nc1cccc(C(C)C)c1)c1cccc(C(=O)[O-])c1 ZINC001598712388 995363870 /nfs/dbraw/zinc/36/38/70/995363870.db2.gz JEEHGZIYFFILNJ-QGZVFWFLSA-N -1 0 327.380 3.834 20 0 EHADRM C[C@@H](OC(=O)C1(C(=O)[O-])CC1)c1ccc(SC(F)(F)F)cc1 ZINC001593491170 995460147 /nfs/dbraw/zinc/46/01/47/995460147.db2.gz KTWGKVAMKJWXJT-MRVPVSSYSA-N -1 0 334.315 3.768 20 0 EHADRM C[C@H](OC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(C(F)(F)F)cn1 ZINC001593500698 995500593 /nfs/dbraw/zinc/50/05/93/995500593.db2.gz ILJTWEPIQVAZPF-DCAQKATOSA-N -1 0 345.317 3.596 20 0 EHADRM C[C@@H](OC(=O)CC1(CC(=O)[O-])CCCC1)c1nc2ccccc2n1C ZINC001593512961 995519194 /nfs/dbraw/zinc/51/91/94/995519194.db2.gz BEGPSFQSHBDOJX-CYBMUJFWSA-N -1 0 344.411 3.603 20 0 EHADRM C[C@@H](OC(=O)/C=C/c1ccc2ccccc2n1)c1cc(C(=O)[O-])co1 ZINC001593514882 995534968 /nfs/dbraw/zinc/53/49/68/995534968.db2.gz LCTUYCINROIAOJ-IDVQTMNDSA-N -1 0 337.331 3.844 20 0 EHADRM CC(C)(C(=O)[N-]OCCC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000154940363 1015961492 /nfs/dbraw/zinc/96/14/92/1015961492.db2.gz NGEIXZSMLVDBQU-UHFFFAOYSA-N -1 0 343.267 3.983 20 0 EHADRM C[C@H](OC(=O)c1cc(C(F)F)ccc1F)c1ccc(C(=O)[O-])o1 ZINC001593556536 995643527 /nfs/dbraw/zinc/64/35/27/995643527.db2.gz OHMYZHXGXIIDEL-ZETCQYMHSA-N -1 0 328.242 3.973 20 0 EHADRM C[C@H](OC(=O)c1cccc(C(F)F)c1F)c1cc(C(=O)[O-])co1 ZINC001593586521 995711267 /nfs/dbraw/zinc/71/12/67/995711267.db2.gz YKXSJYSXMPYCCF-ZETCQYMHSA-N -1 0 328.242 3.973 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1CCCc2sccc21)c1cccs1 ZINC000683299474 1015974510 /nfs/dbraw/zinc/97/45/10/1015974510.db2.gz YJELZEOMHSGHLR-RYUDHWBXSA-N -1 0 335.450 3.562 20 0 EHADRM C[C@H](Oc1ccc(CN2Cc3cccc(Cl)c3C2)cc1)C(=O)[O-] ZINC001593615813 995838833 /nfs/dbraw/zinc/83/88/33/995838833.db2.gz QWYMJNCHSZUFRB-LBPRGKRZSA-N -1 0 331.799 3.708 20 0 EHADRM C[C@@H](Oc1ccc(CN[C@@H](c2ccccc2)C(F)F)cc1)C(=O)[O-] ZINC001593617679 995853655 /nfs/dbraw/zinc/85/36/55/995853655.db2.gz MHQCMCINLLGDQW-WBMJQRKESA-N -1 0 335.350 3.635 20 0 EHADRM C[C@@H](Oc1ccc(NC(=O)C(C)(C)C(C)(C)C)cc1F)C(=O)[O-] ZINC001593624743 995889121 /nfs/dbraw/zinc/88/91/21/995889121.db2.gz SWLWXBMUEDVDPS-SNVBAGLBSA-N -1 0 325.380 3.688 20 0 EHADRM CC(C)c1cccc(O[C@H](C)C(=O)Nc2ccc(C(=O)[O-])c(O)c2)c1 ZINC001593636744 995938186 /nfs/dbraw/zinc/93/81/86/995938186.db2.gz RPQJJOPSMGZKBV-GFCCVEGCSA-N -1 0 343.379 3.620 20 0 EHADRM C[C@@H](Oc1cccc(Cl)c1)C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC001593639334 995940549 /nfs/dbraw/zinc/94/05/49/995940549.db2.gz IOUFFLOQGZKQFE-NXEZZACHSA-N -1 0 338.743 3.703 20 0 EHADRM C[C@H](Oc1ccccc1)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001593641000 995948217 /nfs/dbraw/zinc/94/82/17/995948217.db2.gz VCNNCMNLMVRZQS-VIFPVBQESA-N -1 0 337.734 3.583 20 0 EHADRM C[C@@H](SCC(C)(C)C(=O)[O-])C(=O)Nc1ccccc1C(F)(F)F ZINC001593656608 996027057 /nfs/dbraw/zinc/02/70/57/996027057.db2.gz KBVDUCWUQZZZJA-SECBINFHSA-N -1 0 349.374 3.876 20 0 EHADRM C[C@H](SCc1noc(-c2cccc(Cl)c2Cl)n1)C(=O)[O-] ZINC001593664469 996052041 /nfs/dbraw/zinc/05/20/41/996052041.db2.gz VENXXAKQHLXGHN-LURJTMIESA-N -1 0 333.196 3.750 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)OCc1ccccc1F)C(=O)[O-] ZINC001593674032 996087588 /nfs/dbraw/zinc/08/75/88/996087588.db2.gz VOHGTTRESFJZRE-NSHDSACASA-N -1 0 334.368 3.748 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ccc(C(=O)[O-])n1C ZINC001593694490 996150550 /nfs/dbraw/zinc/15/05/50/996150550.db2.gz WOGBNFBCFJCVRE-NEPJUHHUSA-N -1 0 348.830 3.641 20 0 EHADRM C[C@@H](c1ccc(F)cc1F)N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001593697125 996154195 /nfs/dbraw/zinc/15/41/95/996154195.db2.gz FDVQFEAXBLTSQN-LPEHRKFASA-N -1 0 337.288 3.611 20 0 EHADRM C[C@H](c1ccccc1)N(C(=O)c1cncc(C(=O)[O-])c1)C1CCCC1 ZINC001593706275 996196008 /nfs/dbraw/zinc/19/60/08/996196008.db2.gz OVJULPCBXNSVFZ-CQSZACIVSA-N -1 0 338.407 3.926 20 0 EHADRM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)c1csc(C(=O)[O-])n1 ZINC001593710605 996210200 /nfs/dbraw/zinc/21/02/00/996210200.db2.gz NOMGCBNOFZNIMS-LBPRGKRZSA-N -1 0 344.436 3.845 20 0 EHADRM C[C@@H](c1ccccc1)n1cnnc1SCc1ccccc1C(=O)[O-] ZINC001593712952 996217178 /nfs/dbraw/zinc/21/71/78/996217178.db2.gz IDROBMTUELYTHO-ZDUSSCGKSA-N -1 0 339.420 3.878 20 0 EHADRM C[C@H](c1ccccc1Cl)N1CCN(Cc2ccoc2C(=O)[O-])CC1 ZINC001593713579 996222537 /nfs/dbraw/zinc/22/25/37/996222537.db2.gz OZDQPMRBCVNMFQ-CYBMUJFWSA-N -1 0 348.830 3.510 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1CC1 ZINC001593714312 996229681 /nfs/dbraw/zinc/22/96/81/996229681.db2.gz WNHBRHAIERAPDE-RWMBFGLXSA-N -1 0 335.831 3.893 20 0 EHADRM C[C@@H](c1ccccn1)N(C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001593717281 996235125 /nfs/dbraw/zinc/23/51/25/996235125.db2.gz JIYOGPOLUXCTMQ-JTQLQIEISA-N -1 0 333.775 3.658 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)C1CC(C)(C)CC(C)(C)C1)c1ccccn1 ZINC001593846938 996611577 /nfs/dbraw/zinc/61/15/77/996611577.db2.gz COKFWFBCNVIHBM-FQEVSTJZSA-N -1 0 346.471 3.740 20 0 EHADRM CC1(C)C[C@@H](OC(=O)Cc2ccc(C(=O)[O-])cc2)c2ccccc2O1 ZINC001593862098 996659174 /nfs/dbraw/zinc/65/91/74/996659174.db2.gz SYRSTKGTVFMSOK-QGZVFWFLSA-N -1 0 340.375 3.773 20 0 EHADRM CC1(C)C[C@@]1(NC(=O)c1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC001593868797 996675959 /nfs/dbraw/zinc/67/59/59/996675959.db2.gz PKRDPMVXNSQACV-LJQANCHMSA-N -1 0 327.355 3.579 20 0 EHADRM CC1(C)CCC(=CC(=O)Nc2sc3c(c2C(=O)[O-])CCOC3)CC1 ZINC001593871405 996684113 /nfs/dbraw/zinc/68/41/13/996684113.db2.gz ULRNFUMTTAGSID-UHFFFAOYSA-N -1 0 349.452 3.984 20 0 EHADRM CCc1cc(C(=O)N(C)C[C@@H](C)C(=O)[O-])sc1-c1ccccc1 ZINC000655545022 1016055391 /nfs/dbraw/zinc/05/53/91/1016055391.db2.gz WPDQJHGSRWRDBK-GFCCVEGCSA-N -1 0 331.437 3.770 20 0 EHADRM CC1(C)CC[C@@H](C(=O)NCCSCC(=O)[O-])[C@H](c2ccccc2)C1 ZINC001593875126 996693571 /nfs/dbraw/zinc/69/35/71/996693571.db2.gz YGENDIULDKCBEG-CVEARBPZSA-N -1 0 349.496 3.531 20 0 EHADRM CC1(C)CC[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)[C@H](c2ccccc2)C1 ZINC001593882008 996712241 /nfs/dbraw/zinc/71/22/41/996712241.db2.gz KLNKLLKTHGDLLV-MHORFTMASA-N -1 0 343.467 3.966 20 0 EHADRM CC1(C)CC[C@@H]1C(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001593883906 996719091 /nfs/dbraw/zinc/71/90/91/996719091.db2.gz XZWBXIWLPBGTKE-NEPJUHHUSA-N -1 0 330.302 3.968 20 0 EHADRM CC1(C)CCC[C@@](NC(=O)c2cccc3c2CCCC3)(C(=O)[O-])C1 ZINC001593892352 996740621 /nfs/dbraw/zinc/74/06/21/996740621.db2.gz LWLCIRSQPNWUSO-FQEVSTJZSA-N -1 0 329.440 3.719 20 0 EHADRM CC1(C)CCC[C@](NC(=O)c2cccc(-n3cccc3)c2)(C(=O)[O-])C1 ZINC001593893228 996745894 /nfs/dbraw/zinc/74/58/94/996745894.db2.gz YPQWGUHCRNMDSK-HXUWFJFHSA-N -1 0 340.423 3.631 20 0 EHADRM COC(=O)Cc1ccccc1CSCc1ccc(C(=O)[O-])c(F)c1 ZINC001598873377 996748838 /nfs/dbraw/zinc/74/88/38/996748838.db2.gz KJCFKXFENGCGAH-UHFFFAOYSA-N -1 0 348.395 3.673 20 0 EHADRM COC(=O)Cc1ccccc1CSCc1ccc(C(=O)[O-])cc1 ZINC001598873814 996751291 /nfs/dbraw/zinc/75/12/91/996751291.db2.gz RAMWNFRAQLFWKI-UHFFFAOYSA-N -1 0 330.405 3.534 20 0 EHADRM CC1(C)CCC[C@@H]1[C@@H]1CCN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)C1 ZINC001593899091 996763141 /nfs/dbraw/zinc/76/31/41/996763141.db2.gz ZZFUJRXYIMZARS-HUUCEWRRSA-N -1 0 333.472 3.696 20 0 EHADRM CC1(C)CCc2cccc(NC(=O)Cc3ccc(C(=O)[O-])cc3)c2O1 ZINC001593915904 996814252 /nfs/dbraw/zinc/81/42/52/996814252.db2.gz ISQQAEHXFCVADX-UHFFFAOYSA-N -1 0 339.391 3.670 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)[C@@H]2CCC[C@@H]21 ZINC001593934280 996898726 /nfs/dbraw/zinc/89/87/26/996898726.db2.gz BXCILZNAAWOTDR-JKSUJKDBSA-N -1 0 346.427 3.583 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1ccccc1-c1ccncc1 ZINC001599386266 996950857 /nfs/dbraw/zinc/95/08/57/996950857.db2.gz JZDCJZKXPAMNCN-UHFFFAOYSA-N -1 0 348.358 3.708 20 0 EHADRM COCc1cc(NC(=O)N2CC(C)(C)[C@H]3CCC[C@H]32)cc(C(=O)[O-])c1 ZINC001599286327 996984664 /nfs/dbraw/zinc/98/46/64/996984664.db2.gz WYEJYJYZRIBVID-JKSUJKDBSA-N -1 0 346.427 3.574 20 0 EHADRM COc1cc([C@H](C)NCc2ncc(C(=O)[O-])s2)cc2ccccc21 ZINC001599388451 996987094 /nfs/dbraw/zinc/98/70/94/996987094.db2.gz CXJLNLSYCILCLD-NSHDSACASA-N -1 0 342.420 3.854 20 0 EHADRM COCc1cc(NC(=O)N[C@H]2CCC(C)(C)C[C@H]2C)cc(C(=O)[O-])c1 ZINC001599286869 996994847 /nfs/dbraw/zinc/99/48/47/996994847.db2.gz AEWYXXWVADJIJD-WBMJQRKESA-N -1 0 348.443 3.868 20 0 EHADRM COCc1cc(NC(=O)c2ccc(F)c(Cl)c2)cc(C(=O)[O-])c1 ZINC001599289037 997030306 /nfs/dbraw/zinc/03/03/06/997030306.db2.gz ZXXVCWLDIBOBBG-UHFFFAOYSA-N -1 0 337.734 3.576 20 0 EHADRM COCC1(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)CCCCC1 ZINC001599187183 997048286 /nfs/dbraw/zinc/04/82/86/997048286.db2.gz VZEVCJLZMZJXHS-UHFFFAOYSA-N -1 0 343.782 3.713 20 0 EHADRM COc1ccc(C(=O)[O-])c2c1CN([C@H](C)c1c(F)cccc1F)CC2 ZINC001599497919 997052118 /nfs/dbraw/zinc/05/21/18/997052118.db2.gz KUXWDYOZBJPUSW-LLVKDONJSA-N -1 0 347.361 3.791 20 0 EHADRM COCc1ccc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1F ZINC001599290256 997053416 /nfs/dbraw/zinc/05/34/16/997053416.db2.gz NERRWOVRYIGMSJ-UHFFFAOYSA-N -1 0 331.343 3.539 20 0 EHADRM COc1cc(C)ccc1NC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC001599393976 997089777 /nfs/dbraw/zinc/08/97/77/997089777.db2.gz YSWCQNODGSVCKR-LBPRGKRZSA-N -1 0 328.368 3.836 20 0 EHADRM COc1ccc(C(=O)[O-])cc1CSC[C@H]1OCCc2ccccc21 ZINC001599500059 997100510 /nfs/dbraw/zinc/10/05/10/997100510.db2.gz SNYIMKJJHAHAKA-GOSISDBHSA-N -1 0 344.432 3.941 20 0 EHADRM COc1ccc(C(=O)[O-])cc1COc1cc(F)c(Cl)cc1C=O ZINC001599500042 997100651 /nfs/dbraw/zinc/10/06/51/997100651.db2.gz SBGUCACDVWKTMD-UHFFFAOYSA-N -1 0 338.718 3.577 20 0 EHADRM COc1cc(C)cnc1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001599394928 997107502 /nfs/dbraw/zinc/10/75/02/997107502.db2.gz FQAOXKDXAVCZFK-UHFFFAOYSA-N -1 0 342.376 3.564 20 0 EHADRM COCc1ccc(CNc2cc(C(F)(F)F)c(C(=O)[O-])cn2)cc1 ZINC001599294503 997114888 /nfs/dbraw/zinc/11/48/88/997114888.db2.gz ZJVCLLDKUSXDTG-UHFFFAOYSA-N -1 0 340.301 3.557 20 0 EHADRM COc1ccc(C(=O)[O-])c2c1CN(Cc1cccc(Cl)c1C)CC2 ZINC001599502159 997144308 /nfs/dbraw/zinc/14/43/08/997144308.db2.gz TYJYOCOWJBWLAE-UHFFFAOYSA-N -1 0 345.826 3.914 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)C1(C)C(C)(C)C1(C)C ZINC001599398897 997179490 /nfs/dbraw/zinc/17/94/90/997179490.db2.gz JOKVNSFURXRPHL-NTMALXAHSA-N -1 0 332.396 3.771 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)[C@@H]1CCC=CCCC1 ZINC001599399807 997195031 /nfs/dbraw/zinc/19/50/31/997195031.db2.gz OZVKGNQSJYONNF-UDNYNLSISA-N -1 0 330.380 3.835 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1Oc1nc2ccccc2nc1F ZINC001599399941 997197207 /nfs/dbraw/zinc/19/72/07/997197207.db2.gz LFSQEYOIXGAHOC-CLFYSBASSA-N -1 0 340.310 3.668 20 0 EHADRM COc1ccc(C(=O)Oc2c(C(=O)[O-])ccc3ccccc32)cc1F ZINC001599505392 997202664 /nfs/dbraw/zinc/20/26/64/997202664.db2.gz LUBBINSDXLQOLU-UHFFFAOYSA-N -1 0 340.306 3.905 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Nc2c(F)ccc(F)c2C(=O)[O-])cc1 ZINC001599506725 997223201 /nfs/dbraw/zinc/22/32/01/997223201.db2.gz LCXWOJIKAAKSGM-JTQLQIEISA-N -1 0 349.333 3.804 20 0 EHADRM COCC1(NC(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CCCC1 ZINC001599200403 997295075 /nfs/dbraw/zinc/29/50/75/997295075.db2.gz JOUFWEDKVKJYPF-UHFFFAOYSA-N -1 0 348.424 3.680 20 0 EHADRM C[C@]1(CC(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)CC1(Cl)Cl ZINC001593998360 997325813 /nfs/dbraw/zinc/32/58/13/997325813.db2.gz XMROJHVXQJDKHQ-WFASDCNBSA-N -1 0 344.238 3.683 20 0 EHADRM CON(C(=O)CCCCC(=O)[O-])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001599310038 997397621 /nfs/dbraw/zinc/39/76/21/997397621.db2.gz NWUFXOKZVIKVDI-NSHDSACASA-N -1 0 347.333 3.801 20 0 EHADRM COc1ccc([C@H](NC(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)C(=O)[O-])cc1 ZINC001599520897 997477470 /nfs/dbraw/zinc/47/74/70/997477470.db2.gz VKERWMCXUBIUBE-LBTNJELSSA-N -1 0 347.455 3.790 20 0 EHADRM C[C@]1(CNC(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CCCCO1 ZINC001594021309 997540328 /nfs/dbraw/zinc/54/03/28/997540328.db2.gz FZBAYEUJSCWYMN-QGZVFWFLSA-N -1 0 348.424 3.680 20 0 EHADRM CON(Cc1ccccc1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001599319121 997550795 /nfs/dbraw/zinc/55/07/95/997550795.db2.gz RBFWPSLZHDUMAK-UHFFFAOYSA-N -1 0 342.395 3.644 20 0 EHADRM COc1cc(Cl)c(CN2Cc3ccc(C(=O)[O-])cc3C2)cc1OC ZINC001599418910 997559556 /nfs/dbraw/zinc/55/95/56/997559556.db2.gz QJEYFLYWZVXGBF-UHFFFAOYSA-N -1 0 347.798 3.571 20 0 EHADRM COCC[C@@H](N[C@H](C(=O)[O-])c1ccccc1Cl)c1ccc(C)o1 ZINC001599218011 997616382 /nfs/dbraw/zinc/61/63/82/997616382.db2.gz OLRURNCOGHNMKI-ZBFHGGJFSA-N -1 0 337.803 3.735 20 0 EHADRM C[C@]1(Cc2cccc(F)c2)CCCN1C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001594041858 997669012 /nfs/dbraw/zinc/66/90/12/997669012.db2.gz UUQNNSVFVAEVTI-RZQQEMMASA-N -1 0 347.430 3.640 20 0 EHADRM COc1cc(F)c([C@@H](C)N[C@@H](C)c2cc(C(=O)[O-])co2)cc1OC ZINC001599425646 997670153 /nfs/dbraw/zinc/67/01/53/997670153.db2.gz MUGHSTWOQSOJRY-ZJUUUORDSA-N -1 0 337.347 3.546 20 0 EHADRM COCC[C@@H]1CCN(Cc2cccc(C(=O)[O-])c2)c2ccccc21 ZINC001599221227 997672007 /nfs/dbraw/zinc/67/20/07/997672007.db2.gz XYIWEVIMKMVSML-INIZCTEOSA-N -1 0 325.408 3.915 20 0 EHADRM COC(=O)c1cc(C(C)C)ccc1NC(=O)c1cccc(C(=O)[O-])c1 ZINC001598927599 997678116 /nfs/dbraw/zinc/67/81/16/997678116.db2.gz KTFZXQMSUPKNGW-UHFFFAOYSA-N -1 0 341.363 3.547 20 0 EHADRM COc1ccc(C)cc1[C@@H](C)Nc1nc(Cl)c(C(=O)[O-])s1 ZINC001599536219 997748721 /nfs/dbraw/zinc/74/87/21/997748721.db2.gz VJFKXYCETVXOMZ-MRVPVSSYSA-N -1 0 326.805 3.985 20 0 EHADRM COc1cc(NC(=O)C[C@H](C)c2ccccc2F)ccc1C(=O)[O-] ZINC001599430903 997757141 /nfs/dbraw/zinc/75/71/41/997757141.db2.gz GKQNHPVXDTXHJS-NSHDSACASA-N -1 0 331.343 3.665 20 0 EHADRM C[C@]1(NC(=O)[C@@H]2CCC[C@@H]2Cc2ccccc2)CCCC[C@@H]1C(=O)[O-] ZINC001594053035 997765700 /nfs/dbraw/zinc/76/57/00/997765700.db2.gz RXMQURSUVJLPBR-IKVWTGGYSA-N -1 0 343.467 3.795 20 0 EHADRM COc1cc(NC(=O)[C@@H]2CCSc3ccccc32)ccc1C(=O)[O-] ZINC001599432180 997778141 /nfs/dbraw/zinc/77/81/41/997778141.db2.gz RQKYYDLSQQAUBU-CYBMUJFWSA-N -1 0 343.404 3.612 20 0 EHADRM C[C@]1(NC(=O)c2nc(-c3ccccc3)cs2)CCCC[C@H]1C(=O)[O-] ZINC001594056026 997793480 /nfs/dbraw/zinc/79/34/80/997793480.db2.gz MIROTRSLYWKCQH-UGSOOPFHSA-N -1 0 344.436 3.573 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC001599541028 997842892 /nfs/dbraw/zinc/84/28/92/997842892.db2.gz BDHCAUITYYQRKE-VIGJRRFGSA-N -1 0 330.380 3.525 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)Cc1ccc(Cl)cc1 ZINC001599541496 997851402 /nfs/dbraw/zinc/85/14/02/997851402.db2.gz CUDPRKSCFWIUNT-UITAMQMPSA-N -1 0 346.766 3.595 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)c1ccc(C(F)F)cc1 ZINC001599541757 997855125 /nfs/dbraw/zinc/85/51/25/997855125.db2.gz FEYYLWVDEUVHQB-OQFOIZHKSA-N -1 0 348.301 3.950 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1ccc(C)cc1Cl ZINC001599542184 997862009 /nfs/dbraw/zinc/86/20/09/997862009.db2.gz HEVSXEJYKYOZNI-VMPITWQZSA-N -1 0 346.766 3.974 20 0 EHADRM COc1ccc(/C=C\C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)cc1 ZINC001599543233 997879226 /nfs/dbraw/zinc/87/92/26/997879226.db2.gz MOYIYLYNKHIQAJ-WTKPLQERSA-N -1 0 349.745 3.838 20 0 EHADRM COc1cc(NC(=O)N[C@@H]2CCC[C@H]2C(C)(C)C)ccc1C(=O)[O-] ZINC001599438093 997884330 /nfs/dbraw/zinc/88/43/30/997884330.db2.gz KBSXRCIQCCADRB-ZIAGYGMSSA-N -1 0 334.416 3.730 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)/C=C/c1ccccc1F ZINC001599544501 997900780 /nfs/dbraw/zinc/90/07/80/997900780.db2.gz SQWBUJLANZDWDG-BDLVGCLISA-N -1 0 342.322 3.551 20 0 EHADRM COCCN(C(=O)Nc1cccc(C(=O)[O-])c1)[C@H](C)c1ccccc1 ZINC001599233606 997906575 /nfs/dbraw/zinc/90/65/75/997906575.db2.gz YUZUBVZVKQYFAN-CQSZACIVSA-N -1 0 342.395 3.626 20 0 EHADRM COCCN(C(=O)Nc1cc(C(=O)[O-])c(C)cc1C)[C@H]1CC[C@H](C)C1 ZINC001599233632 997907435 /nfs/dbraw/zinc/90/74/35/997907435.db2.gz ZLVGPPFPNFSKTI-WFASDCNBSA-N -1 0 348.443 3.671 20 0 EHADRM COc1cc(NC(=O)N[C@H](C)c2cc(C)ccc2C)ccc1C(=O)[O-] ZINC001599440590 997922712 /nfs/dbraw/zinc/92/27/12/997922712.db2.gz YLSUSZJNWHXVLW-CYBMUJFWSA-N -1 0 342.395 3.893 20 0 EHADRM COc1cc(NC(=O)c2cc(C3CC3)cnc2Cl)ccc1C(=O)[O-] ZINC001599441378 997934975 /nfs/dbraw/zinc/93/49/75/997934975.db2.gz JZBBHZUOJMWJJN-UHFFFAOYSA-N -1 0 346.770 3.572 20 0 EHADRM COc1cc(NC(=O)c2cc(C(=O)[O-])ccc2Cl)c(C)c(OC)c1 ZINC001599441382 997935129 /nfs/dbraw/zinc/93/51/29/997935129.db2.gz KJPSPKVVUAYVJI-UHFFFAOYSA-N -1 0 349.770 3.616 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)c1ccc(C2CC2)cc1 ZINC001599546835 997937213 /nfs/dbraw/zinc/93/72/13/997937213.db2.gz QSQKLYMRCBHXEJ-JYOAFUTRSA-N -1 0 338.359 3.890 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1Oc1ncnc2c(F)cccc12 ZINC001599547317 997945716 /nfs/dbraw/zinc/94/57/16/997945716.db2.gz TXWDDWKQGARNCF-SOFGYWHQSA-N -1 0 340.310 3.668 20 0 EHADRM COc1c(NC(=O)c2cccc3cccc(O)c32)cccc1C(=O)[O-] ZINC001599342551 997945878 /nfs/dbraw/zinc/94/58/78/997945878.db2.gz NZRRVCNKZHEOCV-UHFFFAOYSA-N -1 0 337.331 3.505 20 0 EHADRM COc1c(N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)ncnc1C(=O)[O-] ZINC001599343074 997954663 /nfs/dbraw/zinc/95/46/63/997954663.db2.gz JPMVEDDGAWPXBK-TVYUQYBPSA-N -1 0 347.802 3.646 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN(C(=O)c2cc(F)cc(C(=O)[O-])c2)C1 ZINC001594079393 997967291 /nfs/dbraw/zinc/96/72/91/997967291.db2.gz DBVBQYSINBASPC-HXUWFJFHSA-N -1 0 341.382 3.718 20 0 EHADRM COc1cc(N[C@@H](C)c2cncc(C(=O)[O-])c2)c(Cl)c(OC)c1 ZINC001599443440 997967964 /nfs/dbraw/zinc/96/79/64/997967964.db2.gz RTGVSTSYZDWIIY-VIFPVBQESA-N -1 0 336.775 3.624 20 0 EHADRM C[C@]1(c2ccccc2)CCCN(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC001594079764 997973843 /nfs/dbraw/zinc/97/38/43/997973843.db2.gz RKNLVVOJVPLGDU-FVJLSDCUSA-N -1 0 343.467 3.848 20 0 EHADRM C[C@]1(c2ccccc2)CCCN(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC001594079763 997974043 /nfs/dbraw/zinc/97/40/43/997974043.db2.gz RKNLVVOJVPLGDU-FIKGOQFSSA-N -1 0 343.467 3.848 20 0 EHADRM CC1(c2nc(COc3cccc(C(=O)[O-])c3)no2)CCCCCC1 ZINC001594082026 997987963 /nfs/dbraw/zinc/98/79/63/997987963.db2.gz VRMQJNGKENSOFU-UHFFFAOYSA-N -1 0 330.384 3.959 20 0 EHADRM COc1cc(OC(=O)CC[C@H](C)c2ccccc2)ccc1C(=O)[O-] ZINC001599446399 998016237 /nfs/dbraw/zinc/01/62/37/998016237.db2.gz ZDYDEZWGVOVQSB-ZDUSSCGKSA-N -1 0 328.364 3.883 20 0 EHADRM COc1cc(OC)c(N[C@@H]2CC[C@@H](CC(=O)[O-])[C@H]2C)cc1Cl ZINC001599448729 998054892 /nfs/dbraw/zinc/05/48/92/998054892.db2.gz IEJUNJXWIWASQU-JFGNBEQYSA-N -1 0 327.808 3.659 20 0 EHADRM COc1cc(OC)cc([C@H](C(=O)[O-])N2CC(C)(C)c3ccccc32)c1 ZINC001599450949 998097762 /nfs/dbraw/zinc/09/77/62/998097762.db2.gz OXSGQVRFVCVQRI-GOSISDBHSA-N -1 0 341.407 3.627 20 0 EHADRM COc1cc(OC)cc([C@@H](Sc2ccc3c(c2)CCO3)C(=O)[O-])c1 ZINC001599452255 998124258 /nfs/dbraw/zinc/12/42/58/998124258.db2.gz ZQUAYVFFODTTIO-QGZVFWFLSA-N -1 0 346.404 3.557 20 0 EHADRM COc1cc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc(Cl)c1O ZINC001599354926 998162716 /nfs/dbraw/zinc/16/27/16/998162716.db2.gz ONPISYVCDLXQDT-UHFFFAOYSA-N -1 0 349.770 3.622 20 0 EHADRM COc1cc(OC[C@H](OC(C)C)c2ccccc2)ccc1C(=O)[O-] ZINC001599456289 998193660 /nfs/dbraw/zinc/19/36/60/998193660.db2.gz CUEKVUBQBYTRKV-SFHVURJKSA-N -1 0 330.380 3.939 20 0 EHADRM Cc1ccc([C@H](CNC(=O)[C@@]2(C)CCC(C)=C(C)C2)C(=O)[O-])cc1 ZINC001594110809 998215415 /nfs/dbraw/zinc/21/54/15/998215415.db2.gz ZWFNEQSVZGYFQO-PXNSSMCTSA-N -1 0 329.440 3.806 20 0 EHADRM COC(=O)c1cc2cc(NCc3cc(C)c(C(=O)[O-])o3)ccc2s1 ZINC001598957336 998267879 /nfs/dbraw/zinc/26/78/79/998267879.db2.gz CIFOCUXBMNSVNU-UHFFFAOYSA-N -1 0 345.376 3.900 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)c2cccc(C(C)(C)C)c2)c1O ZINC001599361748 998272551 /nfs/dbraw/zinc/27/25/51/998272551.db2.gz VNBJIYGBWSKNHA-UHFFFAOYSA-N -1 0 343.379 3.649 20 0 EHADRM C[C@@H]1[C@@H](C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)[C@H]1c1ccccc1 ZINC001594137103 998386627 /nfs/dbraw/zinc/38/66/27/998386627.db2.gz VMTIBYXQACXVEG-SCEVVIGNSA-N -1 0 335.403 3.863 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@H](c1ccccc1)C1CC1 ZINC001599369578 998387997 /nfs/dbraw/zinc/38/79/97/998387997.db2.gz BLGMXFPVVVRRDA-QGZVFWFLSA-N -1 0 325.364 3.526 20 0 EHADRM COc1ccc(-c2nnc(SCCCC(=O)[O-])n2CC(C)C)cc1 ZINC001599472170 998468368 /nfs/dbraw/zinc/46/83/68/998468368.db2.gz KOJFMJNMMSLCAA-UHFFFAOYSA-N -1 0 349.456 3.567 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1sccc1C(F)F ZINC001599375172 998473917 /nfs/dbraw/zinc/47/39/17/998473917.db2.gz HZHKMHKUAZGCDD-UHFFFAOYSA-N -1 0 327.308 3.645 20 0 EHADRM COc1ccc(F)c(NC(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c1 ZINC001599581631 998541419 /nfs/dbraw/zinc/54/14/19/998541419.db2.gz KJXKGIROOVCVAV-SNVBAGLBSA-N -1 0 332.331 3.666 20 0 EHADRM COc1ccc(F)cc1C(=O)Nc1c(C)c(C(=O)[O-])ccc1Cl ZINC001599582068 998548052 /nfs/dbraw/zinc/54/80/52/998548052.db2.gz GEFMJMJVVRTBQP-UHFFFAOYSA-N -1 0 337.734 3.747 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC001594157045 998574394 /nfs/dbraw/zinc/57/43/94/998574394.db2.gz QDAVLYFCLKDOQA-CXAGYDPISA-N -1 0 346.427 3.725 20 0 EHADRM COC(=O)c1ccc(CNc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1C ZINC001598975534 998596029 /nfs/dbraw/zinc/59/60/29/998596029.db2.gz LFTJKSDEZYNNRW-CQSZACIVSA-N -1 0 341.407 3.657 20 0 EHADRM C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001594173152 998665552 /nfs/dbraw/zinc/66/55/52/998665552.db2.gz LSTAJIDXUJDWSA-JOYOIKCWSA-N -1 0 330.306 3.580 20 0 EHADRM COC(=O)c1ccc(N[C@@H]2CCC[C@H](CCCC(=O)[O-])C2)c(OC)c1 ZINC001598983253 998677634 /nfs/dbraw/zinc/67/76/34/998677634.db2.gz CXSYLQKBGPWUFF-UKRRQHHQSA-N -1 0 349.427 3.707 20 0 EHADRM COC(=O)c1ccc(OC)c(CSCc2ccccc2C(=O)[O-])c1 ZINC001598983913 998683205 /nfs/dbraw/zinc/68/32/05/998683205.db2.gz FYKHAMLZOYXEJG-UHFFFAOYSA-N -1 0 346.404 3.613 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)sc1Cl ZINC000231809088 1121058208 /nfs/dbraw/zinc/05/82/08/1121058208.db2.gz MRMZBUXUESTDOJ-UHFFFAOYSA-N -1 0 338.237 3.870 20 0 EHADRM C[C@@H]1[C@@H](C(F)(F)F)CCN1c1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001594177409 998689120 /nfs/dbraw/zinc/68/91/20/998689120.db2.gz XHVJOYXDOYRXSO-SVRRBLITSA-N -1 0 342.239 3.576 20 0 EHADRM C[C@H]1[C@H](C(F)(F)F)CCN1c1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001594177408 998689213 /nfs/dbraw/zinc/68/92/13/998689213.db2.gz XHVJOYXDOYRXSO-POYBYMJQSA-N -1 0 342.239 3.576 20 0 EHADRM C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1Nc1ccc(SC(F)(F)F)nc1 ZINC001594185115 998717431 /nfs/dbraw/zinc/71/74/31/998717431.db2.gz MYTDNEPEHGAQNH-YWVKMMECSA-N -1 0 334.363 3.995 20 0 EHADRM C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1Cl ZINC001594195660 998758214 /nfs/dbraw/zinc/75/82/14/998758214.db2.gz ASBPDVIHKFAXMA-IONNQARKSA-N -1 0 344.194 3.635 20 0 EHADRM C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001594197190 998763264 /nfs/dbraw/zinc/76/32/64/998763264.db2.gz PFPQYVYYBWWQIG-CABZTGNLSA-N -1 0 331.393 3.543 20 0 EHADRM COC(=O)c1cccc([C@@H](Nc2ccc(C)c(Cl)c2)C(=O)[O-])c1 ZINC001598996833 998787525 /nfs/dbraw/zinc/78/75/25/998787525.db2.gz VPVPRAJHGFEXJG-OAHLLOKOSA-N -1 0 333.771 3.673 20 0 EHADRM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1C(=O)/C=C\c1ccc(Cl)s1 ZINC001594207164 998797172 /nfs/dbraw/zinc/79/71/72/998797172.db2.gz XHHPHGJIMXNOBR-IVRGCMMQSA-N -1 0 327.833 3.515 20 0 EHADRM C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001594214792 998827513 /nfs/dbraw/zinc/82/75/13/998827513.db2.gz NOJVQAOKGDJACU-SCZZXKLOSA-N -1 0 348.296 3.719 20 0 EHADRM C[C@@H]1CC(C)(C)CN1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001594217685 998839180 /nfs/dbraw/zinc/83/91/80/998839180.db2.gz WUWIXAWUEXEYKY-CYBMUJFWSA-N -1 0 345.443 3.637 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)c2ccc(C(=O)[O-])o2)C[C@@H](c2ccccc2)C1 ZINC001594260036 999000934 /nfs/dbraw/zinc/00/09/34/999000934.db2.gz LIKCHYOUNOZNAD-AEGPPILISA-N -1 0 327.380 3.680 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2nc3cc(F)c(Cl)cc3[nH]2)c1 ZINC001594288684 999115878 /nfs/dbraw/zinc/11/58/78/999115878.db2.gz DGRPWAPRQVZVMI-UHFFFAOYSA-N -1 0 347.733 3.614 20 0 EHADRM C[C@@H]1CC/C(=C\C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)C1 ZINC001594290362 999117294 /nfs/dbraw/zinc/11/72/94/999117294.db2.gz HDOVSRNDOHZOIA-VXCVGQKYSA-N -1 0 347.842 3.713 20 0 EHADRM C[C@@H]1CC=C(C(=O)N[C@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)CC1 ZINC001594290727 999119511 /nfs/dbraw/zinc/11/95/11/999119511.db2.gz DLUSCFTZRYTPPD-LAPQFRIASA-N -1 0 327.424 3.726 20 0 EHADRM C[C@H]1CC=C(C(=O)N[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)CC1 ZINC001594292423 999128128 /nfs/dbraw/zinc/12/81/28/999128128.db2.gz KXSQRHVZHYZFTD-IINYFYTJSA-N -1 0 341.329 3.694 20 0 EHADRM CO[C@H](CC(C)C)C(=O)Nc1cc(C(=O)[O-])cc(Cl)c1Cl ZINC001599044930 999144337 /nfs/dbraw/zinc/14/43/37/999144337.db2.gz HIRHRVNOSYKZNG-LLVKDONJSA-N -1 0 334.199 3.691 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)O[C@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC001594297585 999148069 /nfs/dbraw/zinc/14/80/69/999148069.db2.gz YHEYEASHNVHTNJ-BREBYQMCSA-N -1 0 330.302 3.811 20 0 EHADRM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001594297684 999148522 /nfs/dbraw/zinc/14/85/22/999148522.db2.gz ASLLQZWROXSSBE-RYUDHWBXSA-N -1 0 335.366 3.601 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])[C@H](C)C1 ZINC001594314469 999216822 /nfs/dbraw/zinc/21/68/22/999216822.db2.gz QDYJDGNLTPDLBJ-JHNDHUHGSA-N -1 0 346.471 3.962 20 0 EHADRM CO[C@H](Cc1ccccc1)C(=O)Nc1c(C(=O)[O-])ccc2ccccc21 ZINC001599059307 999253641 /nfs/dbraw/zinc/25/36/41/999253641.db2.gz RHJNCOAXNQNNDB-GOSISDBHSA-N -1 0 349.386 3.734 20 0 EHADRM C[C@H]1CCC[C@@H](OC(=O)c2cc(Br)cc(C(=O)[O-])c2)C1 ZINC001594352216 999333121 /nfs/dbraw/zinc/33/31/21/999333121.db2.gz ACQRCGGNTVWZCX-TVQRCGJNSA-N -1 0 341.201 3.883 20 0 EHADRM C[C@@H]1CCC[C@@H](OCC(=O)O[C@H](C(=O)[O-])c2ccccc2Cl)C1 ZINC001594354287 999338489 /nfs/dbraw/zinc/33/84/89/999338489.db2.gz BWKJTTMPWYDGIO-HSMVNMDESA-N -1 0 340.803 3.604 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)Nc1cccc(CO[C@@H]2CCC[C@H](C)C2)c1 ZINC001594356102 999343979 /nfs/dbraw/zinc/34/39/79/999343979.db2.gz QXEHBBXEOXOEJS-GRDNDAEWSA-N -1 0 348.443 3.767 20 0 EHADRM C[C@H]1CCC[C@H]1CC(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC001594358026 999353920 /nfs/dbraw/zinc/35/39/20/999353920.db2.gz SKJPXIBSXLGVOF-RDJZCZTQSA-N -1 0 343.467 3.992 20 0 EHADRM C[C@@H]1CCC[C@H]1CC(=O)N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001594358072 999354460 /nfs/dbraw/zinc/35/44/60/999354460.db2.gz UFQODCGPNFQUHL-GMXABZIVSA-N -1 0 343.345 3.774 20 0 EHADRM C[C@@H]1CCC[C@H]1CC(=O)N[C@@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001594358145 999354786 /nfs/dbraw/zinc/35/47/86/999354786.db2.gz VIGGKMFOAUGKTI-IAISJRAMSA-N -1 0 337.847 3.668 20 0 EHADRM C[C@H]1CCCC[C@H]1CCNC(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001594363702 999372932 /nfs/dbraw/zinc/37/29/32/999372932.db2.gz JRWDHEZTWBEWGK-HOTGVXAUSA-N -1 0 338.492 3.927 20 0 EHADRM C[C@@H]1CCCCN(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)C1 ZINC001594369842 999392520 /nfs/dbraw/zinc/39/25/20/999392520.db2.gz CLEAGKCCAPSJCF-SECBINFHSA-N -1 0 328.771 3.831 20 0 EHADRM C[C@H]1CCCc2ccccc2[C@H]1NC(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001594389132 999473929 /nfs/dbraw/zinc/47/39/29/999473929.db2.gz RTVBTNWYGZUVAB-SGTLLEGYSA-N -1 0 341.382 3.967 20 0 EHADRM CC(C)c1cc(C(=O)N2CC[C@H](C)C[C@@H]2C(=O)[O-])c(O)c(C(C)C)c1 ZINC001594406650 999523409 /nfs/dbraw/zinc/52/34/09/999523409.db2.gz BKNMFGXTXFWSSU-SUMWQHHRSA-N -1 0 347.455 3.964 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc3cccc(Cl)c3s2)[C@H](C(=O)[O-])C1 ZINC001594409533 999529875 /nfs/dbraw/zinc/52/98/75/999529875.db2.gz HFMPNDQSXHLWAK-SKDRFNHKSA-N -1 0 337.828 3.880 20 0 EHADRM C[C@H]1CCc2c(sc3ncnc(N[C@H](C(=O)[O-])C(C)(C)C)c32)C1 ZINC001594445203 999636555 /nfs/dbraw/zinc/63/65/55/999636555.db2.gz GOHVSKQOOPBXQX-TVQRCGJNSA-N -1 0 333.457 3.727 20 0 EHADRM C[C@H]1CCc2sc(C(=O)N3CCc4c3cccc4C(=O)[O-])cc2C1 ZINC001594450093 999646306 /nfs/dbraw/zinc/64/63/06/999646306.db2.gz AYDNKMODSUKOGL-NSHDSACASA-N -1 0 341.432 3.774 20 0 EHADRM CCCCOc1ccc(OC)cc1[N-]S(=O)(=O)c1cccs1 ZINC000032630214 1016389842 /nfs/dbraw/zinc/38/98/42/1016389842.db2.gz FGMCABIAXOMGHI-UHFFFAOYSA-N -1 0 341.454 3.736 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655577211 1016401384 /nfs/dbraw/zinc/40/13/84/1016401384.db2.gz YDXMUWJKOGVUSP-CIRFHOKZSA-N -1 0 345.483 3.815 20 0 EHADRM O=S(=O)([N-]c1nc(C2CCC2)cs1)c1ccc(C(F)F)o1 ZINC000634657729 1016476118 /nfs/dbraw/zinc/47/61/18/1016476118.db2.gz YHPXBIVOKXJDBV-UHFFFAOYSA-N -1 0 334.369 3.742 20 0 EHADRM CC(C)c1ccc(CCC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655582110 1016483686 /nfs/dbraw/zinc/48/36/86/1016483686.db2.gz IFQNIPZRRRQYKR-JCGIZDLHSA-N -1 0 345.483 3.994 20 0 EHADRM O=S(=O)([N-]c1nccs1)c1cc2cc(Cl)ccc2s1 ZINC000177919733 1016482003 /nfs/dbraw/zinc/48/20/03/1016482003.db2.gz BUDBLLMITFHYFT-UHFFFAOYSA-N -1 0 330.843 3.812 20 0 EHADRM COC[C@@H](C)N(C)C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000178088467 1016517726 /nfs/dbraw/zinc/51/77/26/1016517726.db2.gz CTDUABYARGUPTA-GFCCVEGCSA-N -1 0 333.815 3.820 20 0 EHADRM CC(C)c1ccc([C@@H]2CCCN2C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000653291358 1016530567 /nfs/dbraw/zinc/53/05/67/1016530567.db2.gz AKYPQLXRVBHSDS-SQNIBIBYSA-N -1 0 329.440 3.974 20 0 EHADRM C[C@@H]1C[C@@H](C)[C@@H](C(=O)Nc2cc(Br)cc(Cl)c2[O-])O1 ZINC000407966422 1016540712 /nfs/dbraw/zinc/54/07/12/1016540712.db2.gz PHPWKTYGHMYYDB-QHMRUWFYSA-N -1 0 348.624 3.560 20 0 EHADRM CCC(CC)[C@H](NC(=O)NCC1(C(=O)[O-])CCC1)c1cccs1 ZINC000659394030 1016649312 /nfs/dbraw/zinc/64/93/12/1016649312.db2.gz KACJZHKMOLXCFY-AWEZNQCLSA-N -1 0 338.473 3.780 20 0 EHADRM Cc1cccc(C)c1[C@H]1CCCN1C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000659411631 1016667070 /nfs/dbraw/zinc/66/70/70/1016667070.db2.gz OBVLRKAFJXXINF-HZPDHXFCSA-N -1 0 332.444 3.507 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1CCC[C@@H](F)C1)c1ccc(Cl)c(F)c1 ZINC000425247463 1016741604 /nfs/dbraw/zinc/74/16/04/1016741604.db2.gz YIDDZUDUHSGPAD-WDMOLILDSA-N -1 0 345.773 3.639 20 0 EHADRM O=C(Nc1cccc2cc[nH]c21)c1cccc(Br)c1[O-] ZINC000547817710 1016749299 /nfs/dbraw/zinc/74/92/99/1016749299.db2.gz ULRNOVOWWHVCHM-UHFFFAOYSA-N -1 0 331.169 3.888 20 0 EHADRM Cc1cc(Br)c(O)c(NC(=O)C2C[C@H](C)O[C@@H](C)C2)c1 ZINC000182912266 1032149999 /nfs/dbraw/zinc/14/99/99/1032149999.db2.gz SJFBVDOUXPSGNY-UWVGGRQHSA-N -1 0 342.233 3.605 20 0 EHADRM COc1cc(F)ccc1-c1noc(CC(=O)c2ccccc2Cl)n1 ZINC001211647636 1016917774 /nfs/dbraw/zinc/91/77/74/1016917774.db2.gz ZZWBLEKWMJOOAT-UHFFFAOYSA-N -1 0 346.745 3.963 20 0 EHADRM CCc1ccc(C(C)(C)C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655584101 1016971455 /nfs/dbraw/zinc/97/14/55/1016971455.db2.gz FYRKVNNJESMDAN-RRQGHBQHSA-N -1 0 345.483 3.778 20 0 EHADRM COc1ccc(C)cc1NC(=O)c1cccc(Br)c1[O-] ZINC000536695310 1032152591 /nfs/dbraw/zinc/15/25/91/1032152591.db2.gz ZESJYJVMKUXCLH-UHFFFAOYSA-N -1 0 336.185 3.724 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655585486 1016976744 /nfs/dbraw/zinc/97/67/44/1016976744.db2.gz YDAKJVOTKPXXLB-ARLBYUKCSA-N -1 0 349.496 3.809 20 0 EHADRM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)CC1(CC(=O)[O-])CCCCC1 ZINC000237380729 1016991465 /nfs/dbraw/zinc/99/14/65/1016991465.db2.gz RPJUNIVPZIILAF-KUHUBIRLSA-N -1 0 329.440 3.851 20 0 EHADRM COc1ccc(C(=O)/C=C/c2cccc(Cl)c2)cc1CC(=O)[O-] ZINC000032890834 1017010957 /nfs/dbraw/zinc/01/09/57/1017010957.db2.gz IFAIPFQXJQYGGV-FNORWQNLSA-N -1 0 330.767 3.872 20 0 EHADRM CN(Cc1cc(F)c(F)c(F)c1)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000181919157 1017027845 /nfs/dbraw/zinc/02/78/45/1017027845.db2.gz LMUWVOKTFVVDPZ-UHFFFAOYSA-N -1 0 347.695 3.874 20 0 EHADRM O=C([O-])CN(C(=O)CCCc1csc2ccccc12)C1CCC1 ZINC000655590998 1017064411 /nfs/dbraw/zinc/06/44/11/1017064411.db2.gz UTXQPSWQHKXUML-UHFFFAOYSA-N -1 0 331.437 3.690 20 0 EHADRM CC(C)Oc1ccc(CNC(=O)c2cc(F)c(F)c([O-])c2F)cc1 ZINC000183375656 1032165854 /nfs/dbraw/zinc/16/58/54/1032165854.db2.gz MKSVDFWJBOJXON-UHFFFAOYSA-N -1 0 339.313 3.527 20 0 EHADRM Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000183348682 1032165865 /nfs/dbraw/zinc/16/58/65/1032165865.db2.gz OBWSSHDCTJBTGG-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCC[C@H]1c1cccc(F)c1 ZINC000183449754 1032170159 /nfs/dbraw/zinc/17/01/59/1032170159.db2.gz URMFYPMURWMJMS-ZDUSSCGKSA-N -1 0 339.288 3.926 20 0 EHADRM CCCC[C@H](Sc1nc(-c2ccccn2)nc2c1CCC2)C(=O)[O-] ZINC000584362074 1032204635 /nfs/dbraw/zinc/20/46/35/1032204635.db2.gz MMBIQNXLDXVAMI-HNNXBMFYSA-N -1 0 343.452 3.763 20 0 EHADRM CC(C)(C)OC(=O)N=c1[nH]cc(-c2nc(-c3ccco3)no2)s1 ZINC000904757368 1032213153 /nfs/dbraw/zinc/21/31/53/1032213153.db2.gz MFNFKUAEBLMJQF-UHFFFAOYSA-N -1 0 334.357 3.800 20 0 EHADRM CSCc1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000184028312 1032224948 /nfs/dbraw/zinc/22/49/48/1032224948.db2.gz KNPQTKFYURWMTC-UHFFFAOYSA-N -1 0 329.393 3.629 20 0 EHADRM CCN(c1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1)C(C)C ZINC000449136785 1032231914 /nfs/dbraw/zinc/23/19/14/1032231914.db2.gz CGIJPVFEHBQDLP-INIZCTEOSA-N -1 0 346.471 3.638 20 0 EHADRM CCN=c1[n-]nc(SCc2c(F)cccc2Br)s1 ZINC000536739671 1032235721 /nfs/dbraw/zinc/23/57/21/1032235721.db2.gz LHOSZSCNDVDUGF-UHFFFAOYSA-N -1 0 348.266 3.586 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2nccc3sccc32)c(C)c1C ZINC000461105727 1032254743 /nfs/dbraw/zinc/25/47/43/1032254743.db2.gz FUZBWWHBNCYVDZ-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]c1cc(Cl)ccc1-n1cccn1 ZINC000321098245 1032283702 /nfs/dbraw/zinc/28/37/02/1032283702.db2.gz RVTIAKZFUHNXLI-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1ncc(Br)cc1F ZINC001211616739 1032285582 /nfs/dbraw/zinc/28/55/82/1032285582.db2.gz VHNBGQFLNOUUBQ-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM CCn1nc(C)c(/C=C/c2nc3ccc(C(=O)[O-])cc3s2)c1C ZINC000431547442 1032286395 /nfs/dbraw/zinc/28/63/95/1032286395.db2.gz ATHSFBSOUFNUKM-SOFGYWHQSA-N -1 0 327.409 3.998 20 0 EHADRM CCc1sc(C2(C(=O)[O-])CCOCC2)nc1-c1ccc(OC)cc1 ZINC000905002944 1032315407 /nfs/dbraw/zinc/31/54/07/1032315407.db2.gz MWCBAYXNGSMVJH-UHFFFAOYSA-N -1 0 347.436 3.514 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ncc(Cl)cc2C)c(Cl)c1 ZINC000461187144 1032319081 /nfs/dbraw/zinc/31/90/81/1032319081.db2.gz PTBCIJYYHYHACH-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM Cc1cc(Cl)cnc1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000461211298 1032321642 /nfs/dbraw/zinc/32/16/42/1032321642.db2.gz HBAZPTZMTZKONH-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ncc(Cl)cc2C)c1 ZINC000461211070 1032321838 /nfs/dbraw/zinc/32/18/38/1032321838.db2.gz LHTGKHOCEARHRX-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ncc(Cl)cc1C ZINC000461212309 1032322308 /nfs/dbraw/zinc/32/23/08/1032322308.db2.gz YVAKUEUYYWIDRP-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000905124688 1032352847 /nfs/dbraw/zinc/35/28/47/1032352847.db2.gz DROMGHDYZGSJMO-DGAVXFQQSA-N -1 0 333.403 3.551 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)N[C@H](c1ccccn1)C1CC1)C1CCCCC1 ZINC000905131016 1032358253 /nfs/dbraw/zinc/35/82/53/1032358253.db2.gz MDUAERJAIXPTTG-AZUAARDMSA-N -1 0 344.455 3.710 20 0 EHADRM Cc1csc(Nc2cccc(NC(=O)[C@H]3CCC[C@@H]3C(=O)[O-])c2)n1 ZINC000905132024 1032358612 /nfs/dbraw/zinc/35/86/12/1032358612.db2.gz WMXXPCIHLATWLA-KBPBESRZSA-N -1 0 345.424 3.635 20 0 EHADRM COCCc1nc(=N[C@@H]2C[C@@H]3CCC(C)(C)c4cccc2c43)s[n-]1 ZINC000538452509 1032378621 /nfs/dbraw/zinc/37/86/21/1032378621.db2.gz SDWLAFPCGGGLQM-SWLSCSKDSA-N -1 0 343.496 3.861 20 0 EHADRM CC(C)(C)Cc1csc([N-]S(=O)(=O)c2ccccc2F)n1 ZINC000538454564 1032382066 /nfs/dbraw/zinc/38/20/66/1032382066.db2.gz YPJAACFLAXIPKY-UHFFFAOYSA-N -1 0 328.434 3.672 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)c2ccccc2C(C)(C)C)C(=O)[O-])cc1 ZINC000538471110 1032392884 /nfs/dbraw/zinc/39/28/84/1032392884.db2.gz BYVVKOHCXKDQGF-QGZVFWFLSA-N -1 0 339.435 3.891 20 0 EHADRM O=S(=O)([N-]c1cnc2ccccc2c1)c1cnc2ccsc2c1 ZINC000083955065 1032408367 /nfs/dbraw/zinc/40/83/67/1032408367.db2.gz WCFPXRRTROZSBN-UHFFFAOYSA-N -1 0 341.417 3.645 20 0 EHADRM CCC[C@@H](CNC(=O)C(C)(C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000263076220 1032431394 /nfs/dbraw/zinc/43/13/94/1032431394.db2.gz CMOPYUYDKMYGMK-NSHDSACASA-N -1 0 345.361 3.600 20 0 EHADRM CC(C)(CC(=O)Nc1ccc(CC(=O)[O-])c(F)c1)c1ccccc1 ZINC000263076795 1032432050 /nfs/dbraw/zinc/43/20/50/1032432050.db2.gz AYMMQRSCFLKGMX-UHFFFAOYSA-N -1 0 329.371 3.759 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1nc(F)ccc1Br ZINC001211618591 1032453395 /nfs/dbraw/zinc/45/33/95/1032453395.db2.gz HQMMEZXYAHQGBP-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM O=C([O-])CCCCCNC(=O)N1CCC[C@H]1CCCc1ccccc1 ZINC000414629328 1017082307 /nfs/dbraw/zinc/08/23/07/1017082307.db2.gz QSPQTWJZFNWIDZ-GOSISDBHSA-N -1 0 346.471 3.828 20 0 EHADRM C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)NCCCCCC(=O)[O-] ZINC000414638114 1017088259 /nfs/dbraw/zinc/08/82/59/1017088259.db2.gz GPEMFDJXBODQAZ-KDOFPFPSSA-N -1 0 332.444 3.644 20 0 EHADRM Cc1cc(N=c2[n-]nc(C(F)(F)F)s2)nn1C1CCCCC1 ZINC000584415219 1032479921 /nfs/dbraw/zinc/47/99/21/1032479921.db2.gz YSGDAPNJIIQSBI-UHFFFAOYSA-N -1 0 331.367 3.733 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)NCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000414634100 1017096408 /nfs/dbraw/zinc/09/64/08/1017096408.db2.gz WTFKRFGKWQIPEW-NHYWBVRUSA-N -1 0 326.824 3.591 20 0 EHADRM CCC(CC)[C@H](NC(=O)[C@H](C)S[C@H](C)C(=O)[O-])c1cccs1 ZINC000601993504 1032584771 /nfs/dbraw/zinc/58/47/71/1032584771.db2.gz JRTQNGCKLAYWBO-WDMOLILDSA-N -1 0 343.514 3.936 20 0 EHADRM CC[C@@H]1CN(C(=O)[C@H](C)S[C@@H](C)C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000602001452 1032589059 /nfs/dbraw/zinc/58/90/59/1032589059.db2.gz NYGMZGCGNWEUKX-LJIGWXMPSA-N -1 0 349.496 3.624 20 0 EHADRM Cc1cccc(C)c1[C@@H]1CCCN1C(=O)[C@@H](C)S[C@@H](C)C(=O)[O-] ZINC000602008664 1032591521 /nfs/dbraw/zinc/59/15/21/1032591521.db2.gz QKIGEGLPUBEUJX-ILXRZTDVSA-N -1 0 335.469 3.562 20 0 EHADRM CC1(C)CCc2ccccc2[C@H](NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])C1 ZINC000669622599 1032603770 /nfs/dbraw/zinc/60/37/70/1032603770.db2.gz NZESKJOVNOJNOJ-OKZBNKHCSA-N -1 0 341.451 3.873 20 0 EHADRM CCCCN(CC)C(=O)N=c1[n-]nc(C(C)(C)c2ccccc2)s1 ZINC000592927018 1032614060 /nfs/dbraw/zinc/61/40/60/1032614060.db2.gz AONZQLBACQXIHD-UHFFFAOYSA-N -1 0 346.500 3.940 20 0 EHADRM CCCN(CC)C(=O)N=c1[n-]nc(C(C)(C)c2ccccc2)s1 ZINC000592930002 1032614461 /nfs/dbraw/zinc/61/44/61/1032614461.db2.gz HDHIISCFTWTXNM-UHFFFAOYSA-N -1 0 332.473 3.550 20 0 EHADRM COc1ccc(C(=O)N=c2[n-]nc(CC3CCCCC3)s2)c(C)c1 ZINC000460166048 1032638950 /nfs/dbraw/zinc/63/89/50/1032638950.db2.gz UTZHCHJOBZXGCW-UHFFFAOYSA-N -1 0 345.468 3.652 20 0 EHADRM C[C@H](NC(=O)C[C@@]1(C(=O)[O-])CCSC1)c1cc2ccccc2s1 ZINC000592983335 1032654163 /nfs/dbraw/zinc/65/41/63/1032654163.db2.gz XFNTUNQFZPIASS-GTNSWQLSSA-N -1 0 349.477 3.677 20 0 EHADRM C[C@H](c1ccc(F)cc1)N(C)C(=O)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000326863349 1032663702 /nfs/dbraw/zinc/66/37/02/1032663702.db2.gz VQFSPBZJOPVABL-VLIAUNLRSA-N -1 0 343.398 3.778 20 0 EHADRM CC[C@@H]1C[C@@H](C)CN1C(=O)N=c1[n-]nc(-c2cc(F)ccc2C)s1 ZINC000471356442 1017187891 /nfs/dbraw/zinc/18/78/91/1017187891.db2.gz HVQLMWIYBLCFDV-ZWNOBZJWSA-N -1 0 348.447 3.727 20 0 EHADRM O=C(NCc1ccccc1N1CCCCC1)c1cc(F)c([O-])c(F)c1 ZINC000183457240 1017334411 /nfs/dbraw/zinc/33/44/11/1017334411.db2.gz PMWJMWPLLTVKJL-UHFFFAOYSA-N -1 0 346.377 3.591 20 0 EHADRM CC[C@@H](Cc1ccc(NS(=O)(=O)CCC(C)(C)C)cc1)C(=O)[O-] ZINC000547934554 1017398203 /nfs/dbraw/zinc/39/82/03/1017398203.db2.gz FHXZDNQWIBZOST-AWEZNQCLSA-N -1 0 341.473 3.518 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C/C=C/c1cccc(F)c1)C1CCCCC1 ZINC000537401860 1032704596 /nfs/dbraw/zinc/70/45/96/1032704596.db2.gz AMFSHSGNVZTUKD-QQOXCAACSA-N -1 0 333.403 3.769 20 0 EHADRM Cc1cc(Br)ccc1NC(=O)C1CCC(C(=O)[O-])CC1 ZINC000111470650 1017511346 /nfs/dbraw/zinc/51/13/46/1017511346.db2.gz QHJFWRMEUBEZFG-UHFFFAOYSA-N -1 0 340.217 3.587 20 0 EHADRM C[C@H](NC(=O)CC1(C(=O)[O-])CCCCC1)c1ccc2ncsc2c1 ZINC000547947202 1017512765 /nfs/dbraw/zinc/51/27/65/1017512765.db2.gz PJXHLUQQUMPRGU-LBPRGKRZSA-N -1 0 346.452 3.899 20 0 EHADRM CC(C)(CNC(=O)c1cc(F)c([O-])c(Cl)c1)[C@H]1CCCCO1 ZINC000683626390 1017786886 /nfs/dbraw/zinc/78/68/86/1017786886.db2.gz GSFMFNWZFSHMLM-CYBMUJFWSA-N -1 0 329.799 3.510 20 0 EHADRM FC(F)(F)C1CCC(CSc2n[n-]c(=NC3CC3)s2)CC1 ZINC000471444235 1017818030 /nfs/dbraw/zinc/81/80/30/1017818030.db2.gz OZVRGERWWUFZLB-UHFFFAOYSA-N -1 0 337.436 3.995 20 0 EHADRM CCCn1ncc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c1C1CC1 ZINC000574129077 1032726078 /nfs/dbraw/zinc/72/60/78/1032726078.db2.gz GMAJFSPRZVGMMP-UHFFFAOYSA-N -1 0 345.468 3.849 20 0 EHADRM C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)c2cccc3ccccc32)cn1 ZINC000187718773 1017986079 /nfs/dbraw/zinc/98/60/79/1017986079.db2.gz JIEWWRPGUHVKEU-ZDUSSCGKSA-N -1 0 341.436 3.808 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(C(F)(F)F)cn2)cc1Cl ZINC000323394396 1018145172 /nfs/dbraw/zinc/14/51/72/1018145172.db2.gz JPXZGNRJVVFSIP-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(-c2ccco2)cc1F ZINC000683729047 1018222574 /nfs/dbraw/zinc/22/25/74/1018222574.db2.gz UIIATUIJJAUCEF-QWHCGFSZSA-N -1 0 329.327 3.691 20 0 EHADRM CCc1cccc(OCC(=O)[N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000046929341 1018297858 /nfs/dbraw/zinc/29/78/58/1018297858.db2.gz JCNFFAMOLMZVBG-UHFFFAOYSA-N -1 0 347.436 3.590 20 0 EHADRM CCOC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2C)c(O)c1 ZINC000511530818 1018300103 /nfs/dbraw/zinc/30/01/03/1018300103.db2.gz IWUSHEWSCFQMND-UHFFFAOYSA-N -1 0 333.771 3.783 20 0 EHADRM Cc1ccc(C)c(C(=O)N[C@@H](C)[C@@H]2CC3CCC2CC3)c1C(=O)[O-] ZINC000394209607 1018377293 /nfs/dbraw/zinc/37/72/93/1018377293.db2.gz ALLWFUULDHABST-LBDPXKHJSA-N -1 0 329.440 3.946 20 0 EHADRM COCC[C@@H]1CCCCN(C(=O)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000584539245 1018436037 /nfs/dbraw/zinc/43/60/37/1018436037.db2.gz NGDJBBLWHDMSQH-LBPRGKRZSA-N -1 0 345.361 3.690 20 0 EHADRM CCCCc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C)n[nH]1 ZINC000471519315 1018486192 /nfs/dbraw/zinc/48/61/92/1018486192.db2.gz ZMKZAKKQVXTZIL-UHFFFAOYSA-N -1 0 327.837 3.515 20 0 EHADRM CCc1nc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)sc1C ZINC000471519640 1018489602 /nfs/dbraw/zinc/48/96/02/1018489602.db2.gz JMBYMBDTNOBFHT-UHFFFAOYSA-N -1 0 348.852 3.916 20 0 EHADRM C[C@@H](Nc1ncnc2cc(Cl)ccc21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656091653 1018521182 /nfs/dbraw/zinc/52/11/82/1018521182.db2.gz GSDUJHVUMDKSED-JIMOISOXSA-N -1 0 333.819 3.831 20 0 EHADRM CC[C@@H](OC)C(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000062675035 1032769556 /nfs/dbraw/zinc/76/95/56/1032769556.db2.gz ILPMZJKDLSNQBD-MRXNPFEDSA-N -1 0 339.457 3.805 20 0 EHADRM CCCOc1ccc([N-]S(=O)(=O)c2cnc(CC)s2)c(C)c1 ZINC000460761827 1018547602 /nfs/dbraw/zinc/54/76/02/1018547602.db2.gz YDKIWHJMJYKZOE-UHFFFAOYSA-N -1 0 340.470 3.604 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cc(F)c(Cl)cc2Cl)CCCC1 ZINC000084142485 1018572024 /nfs/dbraw/zinc/57/20/24/1018572024.db2.gz UFAOFXOQVLSUKL-UHFFFAOYSA-N -1 0 334.174 3.650 20 0 EHADRM COc1cc(Nc2ccc(F)c(Br)c2O)cc(C)n1 ZINC001210781082 1018679131 /nfs/dbraw/zinc/67/91/31/1018679131.db2.gz XFAUTDRZYNPMLS-UHFFFAOYSA-N -1 0 327.153 3.749 20 0 EHADRM O=C(N[C@H]1CCCC12CCOCC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000669738909 1032779460 /nfs/dbraw/zinc/77/94/60/1032779460.db2.gz DTABYIYQCYNSDI-LBPRGKRZSA-N -1 0 344.238 3.778 20 0 EHADRM CCSc1cccc(NC(=O)N(CC(=O)[O-])Cc2ccccc2)c1 ZINC000580180084 1018746471 /nfs/dbraw/zinc/74/64/71/1018746471.db2.gz WWWHVILQFSDGBN-UHFFFAOYSA-N -1 0 344.436 3.917 20 0 EHADRM CCC(CC)(CC(=O)NCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000312724899 1018749163 /nfs/dbraw/zinc/74/91/63/1018749163.db2.gz RGUAEJQYZMEJHO-UHFFFAOYSA-N -1 0 338.256 3.952 20 0 EHADRM COc1ccc(Nc2cc(F)c(Cl)c(F)c2)c(S(=O)(=O)[O-])c1 ZINC001210843382 1018855829 /nfs/dbraw/zinc/85/58/29/1018855829.db2.gz IFWOZFUUDXDYQX-UHFFFAOYSA-N -1 0 349.742 3.617 20 0 EHADRM CC(C)C[C@@H]1CCCCCN1C(=O)N=c1nc2cc(Cl)ccn2[n-]1 ZINC000576436211 1018994274 /nfs/dbraw/zinc/99/42/74/1018994274.db2.gz PMKMJJNOBGBVPD-AWEZNQCLSA-N -1 0 349.866 3.627 20 0 EHADRM O=C(Nc1ccc(-c2nc[nH]n2)cc1)c1cc(O)c2ccccc2c1 ZINC000349749031 1019024712 /nfs/dbraw/zinc/02/47/12/1019024712.db2.gz SDSGWYDSIOBDNM-UHFFFAOYSA-N -1 0 330.347 3.583 20 0 EHADRM Cc1nc(CC(C)C)c([N-]S(=O)(=O)CCc2ccccc2)s1 ZINC000340643834 1019058376 /nfs/dbraw/zinc/05/83/76/1019058376.db2.gz ZCYWJNMYIOUWPZ-UHFFFAOYSA-N -1 0 338.498 3.634 20 0 EHADRM CC(C)[C@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)C1 ZINC000728981904 1019144399 /nfs/dbraw/zinc/14/43/99/1019144399.db2.gz KWODHWBGQJKDKV-WCQYABFASA-N -1 0 345.468 3.569 20 0 EHADRM C[C@H]1CN(Cc2cc(C(=O)[O-])ccc2Cl)CC2(CCCCC2)O1 ZINC000656191836 1019167796 /nfs/dbraw/zinc/16/77/96/1019167796.db2.gz BUTYTBNAIDTEPO-ZDUSSCGKSA-N -1 0 337.847 3.962 20 0 EHADRM CCc1ccc(NC(=O)c2ccc(-n3ncc(C(=O)[O-])c3C)cc2)cc1 ZINC000236953050 1019188669 /nfs/dbraw/zinc/18/86/69/1019188669.db2.gz TUZFKDMZBMJATP-UHFFFAOYSA-N -1 0 349.390 3.694 20 0 EHADRM Cc1cc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)cc(C)c1C ZINC001167935891 1019208764 /nfs/dbraw/zinc/20/87/64/1019208764.db2.gz UDQGMAQGCVYACS-UHFFFAOYSA-N -1 0 331.352 3.697 20 0 EHADRM CCOC(=O)c1cnc(/C=C/c2ccc(Cl)s2)c(C(=O)[O-])c1 ZINC000513228854 1019445624 /nfs/dbraw/zinc/44/56/24/1019445624.db2.gz MYCXBRBNCVBIBK-HWKANZROSA-N -1 0 337.784 3.842 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCCc1ccc(F)cc1)c1cccs1 ZINC000656231878 1019472901 /nfs/dbraw/zinc/47/29/01/1019472901.db2.gz HFGKMLQNHVPELW-AWEZNQCLSA-N -1 0 335.400 3.542 20 0 EHADRM C[C@@]1(NC(=O)c2ccc(C(F)F)cc2F)CCCC[C@@H]1C(=O)[O-] ZINC000656238712 1019522488 /nfs/dbraw/zinc/52/24/88/1019522488.db2.gz RXJPDBUTMIQCBH-BDJLRTHQSA-N -1 0 329.318 3.527 20 0 EHADRM CCC[C@](C)(NC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1)C(=O)[O-] ZINC000262144617 1019549229 /nfs/dbraw/zinc/54/92/29/1019549229.db2.gz ARFSTHCJWSLTLM-IBGZPJMESA-N -1 0 343.379 3.522 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)NCCCc1c(Cl)cccc1Cl ZINC000656246633 1019573322 /nfs/dbraw/zinc/57/33/22/1019573322.db2.gz SOQMDTBQOHYUCW-JTQLQIEISA-N -1 0 332.227 3.543 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(CC(=O)[O-])cc1)Cc1cccc(F)c1 ZINC000262310580 1019591151 /nfs/dbraw/zinc/59/11/51/1019591151.db2.gz SIYKLRSYZQPNQQ-ZDUSSCGKSA-N -1 0 329.371 3.660 20 0 EHADRM Clc1cc(Cl)cc(-c2n[n-]c(=NC[C@H]3CCCOC3)s2)c1 ZINC000433807853 1019633341 /nfs/dbraw/zinc/63/33/41/1019633341.db2.gz LTEFNGBNWPCZJU-SECBINFHSA-N -1 0 344.267 3.772 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)c1F ZINC000513448256 1019693188 /nfs/dbraw/zinc/69/31/88/1019693188.db2.gz QMUVHENDMHPNOX-UHFFFAOYSA-N -1 0 331.368 3.794 20 0 EHADRM C[C@@H]1CC[C@]2(CCN(C(=O)N=c3nc(-c4ccccc4)[n-]s3)C2)C1 ZINC000513453285 1019701313 /nfs/dbraw/zinc/70/13/13/1019701313.db2.gz TXBMEZOLWJZKKC-ACJLOTCBSA-N -1 0 342.468 3.671 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1ccccc1COc1ccccc1 ZINC000909404823 1019725540 /nfs/dbraw/zinc/72/55/40/1019725540.db2.gz PWQNILAZQIONEJ-QGZVFWFLSA-N -1 0 327.380 3.561 20 0 EHADRM Cc1cc(F)ccc1C(=O)N=c1[n-]nc(-c2ccccc2Cl)s1 ZINC000433936735 1019823077 /nfs/dbraw/zinc/82/30/77/1019823077.db2.gz MPHCMBZUTLDCAF-UHFFFAOYSA-N -1 0 347.802 3.980 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC[C@H]1C(=O)[O-] ZINC000263141513 1019825204 /nfs/dbraw/zinc/82/52/04/1019825204.db2.gz YLDUZKRUBVJEEH-VXGBXAGGSA-N -1 0 347.798 3.783 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCC[C@H]2C(C)(C)C)n1 ZINC000433993653 1019859262 /nfs/dbraw/zinc/85/92/62/1019859262.db2.gz KFKKATGHLCWERB-INIZCTEOSA-N -1 0 345.418 3.676 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2cccnc2C(F)(F)F)c1 ZINC000340776033 1019977255 /nfs/dbraw/zinc/97/72/55/1019977255.db2.gz HSGFUYSIXNSAOO-UHFFFAOYSA-N -1 0 348.371 3.623 20 0 EHADRM O=C(/C=C\c1ccc(C(=O)[O-])cc1)Nc1cccc(-c2cnco2)c1 ZINC000255755453 1020001815 /nfs/dbraw/zinc/00/18/15/1020001815.db2.gz MXLDQBFWCUPKPB-TWGQIWQCSA-N -1 0 334.331 3.692 20 0 EHADRM COC[C@H](C)Oc1cccc(-c2ccc(C3(C(=O)[O-])CC3)cc2)c1 ZINC000580785150 1020016581 /nfs/dbraw/zinc/01/65/81/1020016581.db2.gz PTZCUWBVPZPCBQ-AWEZNQCLSA-N -1 0 326.392 3.884 20 0 EHADRM CCCC[C@H](NC(=O)c1ccccc1CCc1ccccc1)C(=O)[O-] ZINC000345203334 1020059294 /nfs/dbraw/zinc/05/92/94/1020059294.db2.gz DQFVPZWBUOPCCO-IBGZPJMESA-N -1 0 339.435 3.845 20 0 EHADRM CCCn1c(C)cc(C([O-])=CS(=O)(=O)c2ccc(CC)cc2)c1C ZINC000340807843 1020079763 /nfs/dbraw/zinc/07/97/63/1020079763.db2.gz YBMQEVXNLWEDSU-UHFFFAOYSA-N -1 0 347.480 3.734 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)Nc2cccc(C(F)F)c2Cl)C1 ZINC000580823106 1020080027 /nfs/dbraw/zinc/08/00/27/1020080027.db2.gz DZTYNBAMQRUGGL-SECBINFHSA-N -1 0 346.761 3.996 20 0 EHADRM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000055652227 1020095606 /nfs/dbraw/zinc/09/56/06/1020095606.db2.gz ADWJWDUDNHLGAQ-UHFFFAOYSA-N -1 0 341.379 3.861 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N[C@H]2CCc3c2cccc3Cl)CC1 ZINC000580836090 1020117841 /nfs/dbraw/zinc/11/78/41/1020117841.db2.gz VDGNYVBIQFKSPD-PPUFBPAQSA-N -1 0 335.831 3.725 20 0 EHADRM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cn1 ZINC000340825690 1020277084 /nfs/dbraw/zinc/27/70/84/1020277084.db2.gz OMPBGHIFRPMNLH-UHFFFAOYSA-N -1 0 342.367 3.607 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000581016722 1020359136 /nfs/dbraw/zinc/35/91/36/1020359136.db2.gz CEIZODSPFYNOHY-KRWDZBQOSA-N -1 0 349.814 3.767 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1ccc(Br)cn1 ZINC000345645362 1020413950 /nfs/dbraw/zinc/41/39/50/1020413950.db2.gz TVJSJPVIVXWVIG-UHFFFAOYSA-N -1 0 345.555 3.595 20 0 EHADRM Fc1cc(-c2ccco2)ccc1CN=c1[n-]nc(C(F)F)s1 ZINC000340856277 1020469378 /nfs/dbraw/zinc/46/93/78/1020469378.db2.gz MLZMZXPFQREIKH-UHFFFAOYSA-N -1 0 325.315 3.909 20 0 EHADRM CC(C)[C@H](C(=O)[O-])[S@@](=O)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000581175835 1020502685 /nfs/dbraw/zinc/50/26/85/1020502685.db2.gz YTGOWPQFESKZSM-SAHWJRBASA-N -1 0 334.412 3.773 20 0 EHADRM CC1=CCCN(C(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000280727375 1020614945 /nfs/dbraw/zinc/61/49/45/1020614945.db2.gz IGMSEGAPGYMLOU-UHFFFAOYSA-N -1 0 330.609 3.600 20 0 EHADRM CCOC(=O)c1cnc(/C=C/c2ccc3ncccc3c2)c(C(=O)[O-])c1 ZINC000340949626 1020668369 /nfs/dbraw/zinc/66/83/69/1020668369.db2.gz GUMZLCDSUYGMEI-SOFGYWHQSA-N -1 0 348.358 3.675 20 0 EHADRM C[C@@H](CC(=O)c1cccs1)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000160852688 1020695577 /nfs/dbraw/zinc/69/55/77/1020695577.db2.gz RUSBMXYEJJQDNC-VIFPVBQESA-N -1 0 346.433 3.569 20 0 EHADRM CC1(C2CC2)CCN(C(=O)N=c2ccc(-c3ccccc3)n[n-]2)CC1 ZINC000558498228 1020778492 /nfs/dbraw/zinc/77/84/92/1020778492.db2.gz UGXQXSZXWNAGIR-UHFFFAOYSA-N -1 0 336.439 3.610 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N[C@H]2CC23CCCC3)s1 ZINC000471649378 1020817414 /nfs/dbraw/zinc/81/74/14/1020817414.db2.gz QRYBMIGOQKANAF-ZDUSSCGKSA-N -1 0 346.431 3.529 20 0 EHADRM C[C@H]1C[C@H](NC(=O)N=c2[n-]nc(-c3ccsc3)s2)C[C@@H](C)C1 ZINC000606944220 1032934903 /nfs/dbraw/zinc/93/49/03/1032934903.db2.gz OUFPAJNKJCWQOX-IAZYJMLFSA-N -1 0 336.486 3.635 20 0 EHADRM CC[C@@H](Cc1ccc(NCc2ccnn2CC2CC2)cc1)C(=O)[O-] ZINC000656566813 1020934720 /nfs/dbraw/zinc/93/47/20/1020934720.db2.gz WGYBXCYQNFZJIX-INIZCTEOSA-N -1 0 327.428 3.559 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000581498522 1021019098 /nfs/dbraw/zinc/01/90/98/1021019098.db2.gz AXGQAVIVUHBXKX-CYBMUJFWSA-N -1 0 346.427 3.645 20 0 EHADRM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2sc(C)nc2C)c1 ZINC000656624171 1021050726 /nfs/dbraw/zinc/05/07/26/1021050726.db2.gz MDBUFMLMWUPARK-SNVBAGLBSA-N -1 0 340.470 3.738 20 0 EHADRM O=C(NCc1ccc2ccccc2n1)c1cc(F)cc(Cl)c1[O-] ZINC000436768190 1021216223 /nfs/dbraw/zinc/21/62/23/1021216223.db2.gz FBCWCLMTFWETAY-UHFFFAOYSA-N -1 0 330.746 3.663 20 0 EHADRM O=C(N[C@@H]1CCOc2ccc(F)cc21)c1cc(F)cc(Cl)c1[O-] ZINC000436784427 1021225958 /nfs/dbraw/zinc/22/59/58/1021225958.db2.gz QACIDFVATMEYAJ-CYBMUJFWSA-N -1 0 339.725 3.577 20 0 EHADRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2c[nH]nc2C2CC2)c(C)c1C ZINC000656738459 1021233264 /nfs/dbraw/zinc/23/32/64/1021233264.db2.gz JXBZONAXRPQCKW-UHFFFAOYSA-N -1 0 333.457 3.630 20 0 EHADRM CC(C)c1ccc(C(=O)N(C)CCCC(=O)OC(C)(C)C)c(O)c1 ZINC000436798023 1021242051 /nfs/dbraw/zinc/24/20/51/1021242051.db2.gz QLFAQSMABYLXBJ-UHFFFAOYSA-N -1 0 335.444 3.710 20 0 EHADRM CO[C@@H]1CCOc2c(NC(=O)c3ccc([O-])c(Cl)c3)cccc21 ZINC000436804142 1021249385 /nfs/dbraw/zinc/24/93/85/1021249385.db2.gz ASSKRHJBBSKRNX-OAHLLOKOSA-N -1 0 333.771 3.768 20 0 EHADRM CO[C@H]1CCOc2c(NC(=O)c3cc(Cl)ccc3[O-])cccc21 ZINC000436807047 1021250754 /nfs/dbraw/zinc/25/07/54/1021250754.db2.gz JZEDMTGXONUQOJ-HNNXBMFYSA-N -1 0 333.771 3.768 20 0 EHADRM C[C@H](O)C[C@@H]1CCCCN1C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436811908 1021255483 /nfs/dbraw/zinc/25/54/83/1021255483.db2.gz WFHWKLLUKXNWNV-STQMWFEESA-N -1 0 347.842 3.964 20 0 EHADRM O=C(Nc1cccc(NCC(F)(F)F)c1)c1cc(F)c([O-])c(F)c1 ZINC000436824056 1021276353 /nfs/dbraw/zinc/27/63/53/1021276353.db2.gz FMUPFLPANSOWLC-UHFFFAOYSA-N -1 0 346.255 3.897 20 0 EHADRM CCc1ccc(C(=O)Nc2ncc(-c3ccccn3)s2)c(O)c1 ZINC000436839409 1021283907 /nfs/dbraw/zinc/28/39/07/1021283907.db2.gz MDBLXVRDQNWRHP-UHFFFAOYSA-N -1 0 325.393 3.725 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)Cn2ccc3ccc(Cl)cc32)c1 ZINC000436864082 1021300413 /nfs/dbraw/zinc/30/04/13/1021300413.db2.gz XPFVOWGIRPSKDM-UHFFFAOYSA-N -1 0 342.782 3.842 20 0 EHADRM COc1ccc(Oc2ccc(CN=c3[n-]c(C4CC4)no3)cc2)cc1 ZINC000342509893 1021303775 /nfs/dbraw/zinc/30/37/75/1021303775.db2.gz NAZJJHUIPYHGAP-UHFFFAOYSA-N -1 0 337.379 3.782 20 0 EHADRM COc1ccc(/C=C\c2nc3cc(C(=O)[O-])ccc3o2)c(OC)c1 ZINC000439275155 1021310728 /nfs/dbraw/zinc/31/07/28/1021310728.db2.gz ONGZOIMWORWZND-YVMONPNESA-N -1 0 325.320 3.714 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CCOc2ccc(Cl)cc2)c1 ZINC000436874714 1021320058 /nfs/dbraw/zinc/32/00/58/1021320058.db2.gz BHMXBFJRXJKDFV-UHFFFAOYSA-N -1 0 333.771 3.656 20 0 EHADRM CC(C)[C@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CCO1 ZINC000436894968 1021325849 /nfs/dbraw/zinc/32/58/49/1021325849.db2.gz SNKYBHHXNRHJSA-MRXNPFEDSA-N -1 0 333.815 3.696 20 0 EHADRM O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000436930782 1021368468 /nfs/dbraw/zinc/36/84/68/1021368468.db2.gz IJYWSSXEXWSGMG-LBPRGKRZSA-N -1 0 341.304 3.682 20 0 EHADRM Cc1csc(CCCCNC(=O)c2cc(F)cc(Cl)c2[O-])n1 ZINC000436925393 1021384849 /nfs/dbraw/zinc/38/48/49/1021384849.db2.gz IZJGHVMZULCTBV-UHFFFAOYSA-N -1 0 342.823 3.702 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(Br)cc(Cl)c2[O-])CC[C@@H]1C ZINC000436960724 1021410625 /nfs/dbraw/zinc/41/06/25/1021410625.db2.gz HVXJSBHVBOTFML-IUCAKERBSA-N -1 0 346.652 3.926 20 0 EHADRM COc1ccc(-c2csc(NC(=O)c3c([O-])cccc3F)n2)cc1 ZINC000436972416 1021426274 /nfs/dbraw/zinc/42/62/74/1021426274.db2.gz OKFPGOQSWTYQKR-UHFFFAOYSA-N -1 0 344.367 3.916 20 0 EHADRM C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000296774827 1021430032 /nfs/dbraw/zinc/43/00/32/1021430032.db2.gz DMXSXPZOIGIQAX-NKWVEPMBSA-N -1 0 341.251 3.613 20 0 EHADRM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1c([O-])cccc1F)[C@H]2C ZINC000436992493 1021448508 /nfs/dbraw/zinc/44/85/08/1021448508.db2.gz ZLCXVRIDEJCKDE-RYUDHWBXSA-N -1 0 329.371 3.688 20 0 EHADRM C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436999112 1021468284 /nfs/dbraw/zinc/46/82/84/1021468284.db2.gz IZPSLBXKWSTYGM-HZGVNTEJSA-N -1 0 325.689 3.598 20 0 EHADRM O=C(N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1)c1cc(F)c([O-])c(F)c1 ZINC000436999583 1021471021 /nfs/dbraw/zinc/47/10/21/1021471021.db2.gz KAGUODJVBSHRSE-BXUZGUMPSA-N -1 0 335.325 3.876 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)c1ccccc1CCC(F)(F)F ZINC000659241681 1021561465 /nfs/dbraw/zinc/56/14/65/1021561465.db2.gz JUXGYISLFRNSCK-CJNGLKHVSA-N -1 0 343.345 3.555 20 0 EHADRM CCCC[C@@H](NC(=O)N[C@@H](C)c1cc2ccccc2s1)C(=O)[O-] ZINC000518815832 1021593783 /nfs/dbraw/zinc/59/37/83/1021593783.db2.gz KOUYLPWPWMOPKD-WCQYABFASA-N -1 0 334.441 3.905 20 0 EHADRM CCC[C@H](C)[C@H]1CCCN1C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000439720694 1021671921 /nfs/dbraw/zinc/67/19/21/1021671921.db2.gz RIQALRNQTHAAQF-SUMWQHHRSA-N -1 0 347.455 3.808 20 0 EHADRM COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1ccc([O-])c(Cl)c1 ZINC000439733434 1021680132 /nfs/dbraw/zinc/68/01/32/1021680132.db2.gz OBFICMIPPJDWRU-SJLPKXTDSA-N -1 0 331.799 3.514 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ncc(C(C)(C)C)s2)c(C)s1 ZINC000437302752 1021716065 /nfs/dbraw/zinc/71/60/65/1021716065.db2.gz JDEISGMLOOLVCG-UHFFFAOYSA-N -1 0 330.500 3.920 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)c2ccc3ccc(Cl)cc3n2)s1 ZINC000437312157 1021734294 /nfs/dbraw/zinc/73/42/94/1021734294.db2.gz YLDPTKFXIPYOHR-UHFFFAOYSA-N -1 0 346.843 3.612 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)NC[C@H](C)c1c(Cl)cccc1Cl ZINC000519862208 1021735807 /nfs/dbraw/zinc/73/58/07/1021735807.db2.gz SCDKETHIODNZIL-JTQLQIEISA-N -1 0 347.242 3.603 20 0 EHADRM O=C(CCCc1ccc(O)c(F)c1)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000437332850 1021742190 /nfs/dbraw/zinc/74/21/90/1021742190.db2.gz OSQVMGABQJRXPQ-MLGOLLRUSA-N -1 0 349.352 3.805 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1nc2cc(F)c(F)cc2s1 ZINC000437332640 1021743236 /nfs/dbraw/zinc/74/32/36/1021743236.db2.gz NVDNXTDLYLTDAJ-UHFFFAOYSA-N -1 0 346.405 3.745 20 0 EHADRM COCCc1ccccc1[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000276556670 1021780908 /nfs/dbraw/zinc/78/09/08/1021780908.db2.gz MGDBGMVHNPQSPU-UHFFFAOYSA-N -1 0 345.873 3.700 20 0 EHADRM Cc1cccc(C[C@@H](CNC(=O)c2cc(Cl)ccc2C)C(=O)[O-])c1 ZINC000439906342 1021802623 /nfs/dbraw/zinc/80/26/23/1021802623.db2.gz XUWVFZMXSHTZIB-HNNXBMFYSA-N -1 0 345.826 3.630 20 0 EHADRM CC(C)c1ccc(C(=O)N(CCc2ccccc2)CC(=O)[O-])s1 ZINC000439907603 1021804489 /nfs/dbraw/zinc/80/44/89/1021804489.db2.gz FOAPZGFGFNYDNL-UHFFFAOYSA-N -1 0 331.437 3.641 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000439897002 1021812132 /nfs/dbraw/zinc/81/21/32/1021812132.db2.gz RUCKHOZITIDHLV-HNNXBMFYSA-N -1 0 335.762 3.733 20 0 EHADRM CC[C@@H](c1ccc(Cl)cc1Cl)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000516932269 1021869045 /nfs/dbraw/zinc/86/90/45/1021869045.db2.gz HXRQMDZVIYMUME-FZMZJTMJSA-N -1 0 332.227 3.620 20 0 EHADRM CCCCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccsc1 ZINC000506734818 1021886319 /nfs/dbraw/zinc/88/63/19/1021886319.db2.gz KGWLZZPFGVFPPL-UHFFFAOYSA-N -1 0 341.454 3.736 20 0 EHADRM O=C([O-])c1ccc2oc(/C=C\c3cn4cc(Cl)ccc4n3)nc2c1 ZINC000559189150 1021962146 /nfs/dbraw/zinc/96/21/46/1021962146.db2.gz GNBMESJUUIGWSY-UTCJRWHESA-N -1 0 339.738 3.998 20 0 EHADRM O=C([O-])c1ccc2c(=O)n3c(nc2c1)/C(=C/C=C\c1ccccc1)CC3 ZINC000520175236 1022004424 /nfs/dbraw/zinc/00/44/24/1022004424.db2.gz IWXKTBOFRUWQFK-ORWRBEDVSA-N -1 0 344.370 3.595 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)Nc2cscc2C)n1 ZINC000440289826 1022068460 /nfs/dbraw/zinc/06/84/60/1022068460.db2.gz DKTCSZWYFZSCQD-UHFFFAOYSA-N -1 0 327.409 3.763 20 0 EHADRM CSc1ccc(NC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1Cl ZINC000517145711 1022069484 /nfs/dbraw/zinc/06/94/84/1022069484.db2.gz QDJXALUCAWOXSL-GXSJLCMTSA-N -1 0 342.848 3.636 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2OC(F)F)c(F)cc1F ZINC000440299565 1022074501 /nfs/dbraw/zinc/07/45/01/1022074501.db2.gz WRTJRYUPARILQR-UHFFFAOYSA-N -1 0 349.305 3.675 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2nccc3c(Br)cccc32)C1 ZINC000399061761 1022120300 /nfs/dbraw/zinc/12/03/00/1022120300.db2.gz JEYLRFKSQPFGFF-GHMZBOCLSA-N -1 0 349.228 3.544 20 0 EHADRM Cc1ccccc1CN(C)C(=O)c1cccc(Br)c1[O-] ZINC000517348778 1022274514 /nfs/dbraw/zinc/27/45/14/1022274514.db2.gz RNCWCSCMZGVLAP-UHFFFAOYSA-N -1 0 334.213 3.735 20 0 EHADRM FC(F)(F)[C@@H](C[C@H]1CCCO1)[N-]c1nnc(Cc2ccccc2)o1 ZINC000894435390 1022280925 /nfs/dbraw/zinc/28/09/25/1022280925.db2.gz OGMMPWYANUOUEI-CHWSQXEVSA-N -1 0 341.333 3.572 20 0 EHADRM O=C([O-])c1cccc(CC(=O)NC2CCC(c3ccccc3)CC2)c1 ZINC000262081620 1022301991 /nfs/dbraw/zinc/30/19/91/1022301991.db2.gz BLYNLYAKAXYKGB-UHFFFAOYSA-N -1 0 337.419 3.770 20 0 EHADRM Cc1cc(Cl)c(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1C ZINC000655575003 1022390886 /nfs/dbraw/zinc/39/08/86/1022390886.db2.gz DNCIDTVNGLMUTP-KWCYVHTRSA-N -1 0 337.847 3.822 20 0 EHADRM COc1cccnc1[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000517611393 1022485112 /nfs/dbraw/zinc/48/51/12/1022485112.db2.gz KHBQCOMCYGPAQH-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CC(C)(NC(=O)N=c1ccc(C2CC2)n[n-]1)c1cccc(Cl)c1F ZINC000473692128 1022518772 /nfs/dbraw/zinc/51/87/72/1022518772.db2.gz OGAUQAIDKGKXKD-UHFFFAOYSA-N -1 0 348.809 3.625 20 0 EHADRM O=C(c1nn(-c2ccccc2F)cc1[O-])N1CCCC12CCCCC2 ZINC000328892312 1022529147 /nfs/dbraw/zinc/52/91/47/1022529147.db2.gz UBOAKQCLVHBKNJ-UHFFFAOYSA-N -1 0 343.402 3.656 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(CCC(C)C)cc2)nc1 ZINC000536303550 1022599039 /nfs/dbraw/zinc/59/90/39/1022599039.db2.gz YOJCZTIIEYQFSW-UHFFFAOYSA-N -1 0 346.452 3.674 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000262048496 1022634274 /nfs/dbraw/zinc/63/42/74/1022634274.db2.gz AAJQHXCEMZBODN-CYBMUJFWSA-N -1 0 345.826 3.670 20 0 EHADRM O=C(Nc1ccc(NC2CCOCC2)cc1)c1ccc([O-])c(Cl)c1 ZINC000101682553 1022647720 /nfs/dbraw/zinc/64/77/20/1022647720.db2.gz MSDIJSSAVNYEHC-UHFFFAOYSA-N -1 0 346.814 3.889 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)c2cccc(-c3ccoc3)c2)s[n-]1 ZINC000536314061 1022675593 /nfs/dbraw/zinc/67/55/93/1022675593.db2.gz CJWLLKIJYCVBHY-UHFFFAOYSA-N -1 0 327.409 3.770 20 0 EHADRM CS[C@H](C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC000593921709 1033078022 /nfs/dbraw/zinc/07/80/22/1033078022.db2.gz HVMNXJCKONMSQO-ZACQAIPSSA-N -1 0 341.432 3.520 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1cccc(C(C)(F)F)c1 ZINC000188560219 1022825221 /nfs/dbraw/zinc/82/52/21/1022825221.db2.gz MRRNLCSAWKLAFD-UHFFFAOYSA-N -1 0 333.381 3.669 20 0 EHADRM C[C@@H]1CCC[C@H](CNC(=O)N=c2[n-]nc(-c3ccsc3)s2)C1 ZINC000510670353 1022866748 /nfs/dbraw/zinc/86/67/48/1022866748.db2.gz WUSAIKMUNNLELJ-MNOVXSKESA-N -1 0 336.486 3.636 20 0 EHADRM Cc1cc(C(=O)N(CC(=O)[O-])C2CCC2)sc1-c1ccccc1 ZINC000655587811 1022883507 /nfs/dbraw/zinc/88/35/07/1022883507.db2.gz YPNBXRAACJMPHU-UHFFFAOYSA-N -1 0 329.421 3.803 20 0 EHADRM Cc1ccccc1-c1cnc(CSc2n[n-]c(=NC3CC3)s2)o1 ZINC000535262326 1022953979 /nfs/dbraw/zinc/95/39/79/1022953979.db2.gz QTULHQFHFYMBOZ-UHFFFAOYSA-N -1 0 344.465 3.790 20 0 EHADRM Cc1ccc([C@H](NCc2sccc2Br)C(=O)[O-])cc1 ZINC000426716341 1022983636 /nfs/dbraw/zinc/98/36/36/1022983636.db2.gz VJAOBRLLWQVKPF-ZDUSSCGKSA-N -1 0 340.242 3.735 20 0 EHADRM O=C([O-])[C@@H](NCc1cc2c(cccc2F)[nH]1)c1c(F)cccc1F ZINC000426729441 1023000072 /nfs/dbraw/zinc/00/00/72/1023000072.db2.gz CVKDHIUGXZFGKT-INIZCTEOSA-N -1 0 334.297 3.501 20 0 EHADRM Cc1cc(CN[C@H](C(=O)[O-])c2ccccc2)sc1Br ZINC000426765890 1023017769 /nfs/dbraw/zinc/01/77/69/1023017769.db2.gz UCCKGXSDQACVCD-LBPRGKRZSA-N -1 0 340.242 3.735 20 0 EHADRM CC[C@@H](CN=c1nc([C@@H](C)OC)[n-]s1)Oc1ccccc1Cl ZINC000509549916 1023029212 /nfs/dbraw/zinc/02/92/12/1023029212.db2.gz UITYVNUEBACRMF-MNOVXSKESA-N -1 0 341.864 3.590 20 0 EHADRM CC(C)n1cc(CN[C@@H](C(=O)[O-])c2c(Cl)cccc2Cl)cn1 ZINC000426760667 1023030647 /nfs/dbraw/zinc/03/06/47/1023030647.db2.gz TWIOJKXVGOWRSU-CQSZACIVSA-N -1 0 342.226 3.686 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])[NH2+]Cc2ccc(Cl)cc2F)c1 ZINC000426768974 1023032067 /nfs/dbraw/zinc/03/20/67/1023032067.db2.gz DWGMLOUXYALENB-MRXNPFEDSA-N -1 0 337.778 3.793 20 0 EHADRM C[C@H](CN=c1[n-]nc(-c2ccccc2)s1)COCc1ccccc1 ZINC000506977403 1023057452 /nfs/dbraw/zinc/05/74/52/1023057452.db2.gz MLLSDIDYSMZWRS-OAHLLOKOSA-N -1 0 339.464 3.892 20 0 EHADRM CO[C@H](C)c1nc(=NCCCOc2ccc3ccccc3c2)s[n-]1 ZINC000509563119 1023063954 /nfs/dbraw/zinc/06/39/54/1023063954.db2.gz CSBGIXTXWVJGEH-CYBMUJFWSA-N -1 0 343.452 3.702 20 0 EHADRM CO[C@H](C)c1nc(=N[C@H](C)Cc2ccccc2C(F)(F)F)s[n-]1 ZINC000509577845 1023076007 /nfs/dbraw/zinc/07/60/07/1023076007.db2.gz CIHWULKGAMNFNV-NXEZZACHSA-N -1 0 345.390 3.729 20 0 EHADRM Cc1cc(F)c(Br)cc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000189661481 1023076390 /nfs/dbraw/zinc/07/63/90/1023076390.db2.gz HIBOKTYXZNYJPG-UHFFFAOYSA-N -1 0 346.196 3.726 20 0 EHADRM CO[C@@H](C)c1nc(=NCc2ccc(C)cc2OC(C)(C)C)s[n-]1 ZINC000509583260 1023099594 /nfs/dbraw/zinc/09/95/94/1023099594.db2.gz CNLGZNIWQSBNGL-LBPRGKRZSA-N -1 0 335.473 3.765 20 0 EHADRM COCc1nc(=NCC(C)(C)c2ccc(OCC(C)C)cc2)s[n-]1 ZINC000426904356 1023105064 /nfs/dbraw/zinc/10/50/64/1023105064.db2.gz ZIHKVXHEETYADT-UHFFFAOYSA-N -1 0 349.500 3.531 20 0 EHADRM COCCSc1ccc([C@H](C)N=c2nc(C3CC3)[n-]s2)cc1 ZINC000426896902 1023114969 /nfs/dbraw/zinc/11/49/69/1023114969.db2.gz DNXJKOMLYOHHLT-NSHDSACASA-N -1 0 335.498 3.749 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N(C)CC2CCCCC2)n1 ZINC000438902230 1023133967 /nfs/dbraw/zinc/13/39/67/1023133967.db2.gz MDNVDYHMRSVSHJ-UHFFFAOYSA-N -1 0 341.455 3.793 20 0 EHADRM Cc1cc(=O)[n-]c(O[C@H](C)c2cc(Br)ccc2F)n1 ZINC001226159787 1023141709 /nfs/dbraw/zinc/14/17/09/1023141709.db2.gz WAOSFWNHQQQTPI-MRVPVSSYSA-N -1 0 327.153 3.532 20 0 EHADRM O=C(c1ncccc1[O-])N(Cc1ccco1)c1cccc(Cl)c1 ZINC000427011896 1023157192 /nfs/dbraw/zinc/15/71/92/1023157192.db2.gz KLLAPQDIZCZNNB-UHFFFAOYSA-N -1 0 328.755 3.881 20 0 EHADRM CN(CC1(c2ccccc2)CC1)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000190080334 1023160781 /nfs/dbraw/zinc/16/07/81/1023160781.db2.gz ZRTZKZVNGHWDBX-UHFFFAOYSA-N -1 0 333.790 3.989 20 0 EHADRM O=S(=O)([N-]c1noc2ccccc21)c1cc(Cl)cc(Cl)c1 ZINC000438987304 1023192652 /nfs/dbraw/zinc/19/26/52/1023192652.db2.gz PMHYKLUPMSZNPC-UHFFFAOYSA-N -1 0 343.191 3.935 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cccn1C1CCCC1)c1ccc(F)cc1 ZINC000190493035 1023196780 /nfs/dbraw/zinc/19/67/80/1023196780.db2.gz BJVRBBDUIZYPTH-MRXNPFEDSA-N -1 0 344.386 3.688 20 0 EHADRM O=C([O-])c1cc(/C=C/c2cc(Br)ccc2Cl)ncn1 ZINC000536391567 1023201964 /nfs/dbraw/zinc/20/19/64/1023201964.db2.gz SFTFHPADKPNQOW-HNQUOIGGSA-N -1 0 339.576 3.761 20 0 EHADRM CCOCc1ccc(CN=c2[n-]c(-c3cccc(Cl)c3)no2)cc1 ZINC000593994285 1033115894 /nfs/dbraw/zinc/11/58/94/1033115894.db2.gz NSMOHJDFNZSZIB-UHFFFAOYSA-N -1 0 343.814 3.961 20 0 EHADRM Fc1cccc(COc2ccc(CN=c3[n-]nc(C4CC4)o3)cc2)c1 ZINC000341743365 1023238475 /nfs/dbraw/zinc/23/84/75/1023238475.db2.gz JMRLKGPJDUPHGB-UHFFFAOYSA-N -1 0 339.370 3.699 20 0 EHADRM CCCOc1cccc(NC(=O)c2nn(-c3ccccc3)cc2[O-])c1 ZINC000439072825 1023248467 /nfs/dbraw/zinc/24/84/67/1023248467.db2.gz SEFLOMOETGTDDN-UHFFFAOYSA-N -1 0 337.379 3.619 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)Nc1cc(C(C)=O)ccc1[O-] ZINC000476296856 1033116776 /nfs/dbraw/zinc/11/67/76/1033116776.db2.gz PNCIXIKPFGOOPQ-KRWDZBQOSA-N -1 0 327.380 3.699 20 0 EHADRM O=C([O-])[C@H]1CC[C@@H]1C(=O)NCC1(c2ccccc2)CCCCCC1 ZINC000507342982 1023256266 /nfs/dbraw/zinc/25/62/66/1023256266.db2.gz UMEYDJUGBQDPEI-IRXDYDNUSA-N -1 0 329.440 3.506 20 0 EHADRM CCCOc1ccc(CNC(=O)CC2(C(=O)[O-])CCCCCC2)cc1 ZINC000614570369 1023279328 /nfs/dbraw/zinc/27/93/28/1023279328.db2.gz AYTATFMGMHITGI-UHFFFAOYSA-N -1 0 347.455 3.907 20 0 EHADRM CC(C)C[C@H]1CCCCCN1C(=O)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000471936993 1023345598 /nfs/dbraw/zinc/34/55/98/1023345598.db2.gz NGKNXVJIOAWSIQ-GFCCVEGCSA-N -1 0 344.381 3.740 20 0 EHADRM CCOCc1cccc([N-]S(=O)(=O)c2sc(C)cc2C)c1 ZINC000431175560 1023380741 /nfs/dbraw/zinc/38/07/41/1023380741.db2.gz PNRAGDNQUZOVMU-UHFFFAOYSA-N -1 0 325.455 3.702 20 0 EHADRM O=C([O-])c1coc(CNCc2c(Cl)cccc2N2CCCC2)c1 ZINC000276960662 1023477135 /nfs/dbraw/zinc/47/71/35/1023477135.db2.gz FRYRKNMPRKOWJK-UHFFFAOYSA-N -1 0 334.803 3.521 20 0 EHADRM C[C@]1(Br)C[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000528947548 1033139493 /nfs/dbraw/zinc/13/94/93/1033139493.db2.gz RTHKWHBPACXFTN-KGFZYKRKSA-N -1 0 339.016 3.811 20 0 EHADRM CN(C)c1cccc(CSc2n[n-]c(=NCc3ccco3)s2)c1 ZINC000607434526 1033141463 /nfs/dbraw/zinc/14/14/63/1033141463.db2.gz VKVOXQNGYAAXRY-UHFFFAOYSA-N -1 0 346.481 3.523 20 0 EHADRM CCCCCN(C(=O)c1nn(-c2ccc(OC)cc2)cc1[O-])C(C)C ZINC000180960574 1023666110 /nfs/dbraw/zinc/66/61/10/1023666110.db2.gz LIMMAGYXIFXUNE-UHFFFAOYSA-N -1 0 345.443 3.627 20 0 EHADRM COc1cc(Cl)ccc1C(=O)NCCCCCCCC(=O)[O-] ZINC000039048909 1023691105 /nfs/dbraw/zinc/69/11/05/1023691105.db2.gz PCKQXIMQYHQZNU-UHFFFAOYSA-N -1 0 327.808 3.504 20 0 EHADRM Cc1n[n-]c(=N[C@@H](C)c2ccc(OCc3ccc(F)cc3)cc2)o1 ZINC000342081843 1023890586 /nfs/dbraw/zinc/89/05/86/1023890586.db2.gz XBOOXIDZUFBDTP-LBPRGKRZSA-N -1 0 327.359 3.691 20 0 EHADRM CC(=O)Nc1cccc(NC(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)c1 ZINC000236578902 1023997392 /nfs/dbraw/zinc/99/73/92/1023997392.db2.gz FHSSHKWASSBBLG-IBGZPJMESA-N -1 0 346.427 3.645 20 0 EHADRM Fc1ccccc1N=c1[n-]nc(SC[C@@H](F)C(F)(F)F)s1 ZINC000443473374 1024018624 /nfs/dbraw/zinc/01/86/24/1024018624.db2.gz HVHMBNPDVGQLLV-MRVPVSSYSA-N -1 0 341.330 3.835 20 0 EHADRM Cc1ccnn1-c1ccccc1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000192478374 1024027932 /nfs/dbraw/zinc/02/79/32/1024027932.db2.gz AGZYMWPPCMKBAD-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM CC(C)[C@@H](Sc1ccccc1)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000522540876 1024050036 /nfs/dbraw/zinc/05/00/36/1024050036.db2.gz KMGWUFRFLZBYBP-QGZVFWFLSA-N -1 0 327.453 3.531 20 0 EHADRM Cc1c(C(=O)[O-])cncc1-c1ccc(OC[C@@H]2CCCCO2)cc1 ZINC000657204169 1024085990 /nfs/dbraw/zinc/08/59/90/1024085990.db2.gz YCDDYYZHSQYKEO-INIZCTEOSA-N -1 0 327.380 3.703 20 0 EHADRM C[C@@]1(C(=O)N=c2nc(-c3ccccc3)[n-]s2)CCCc2ccccc21 ZINC000522246337 1024103545 /nfs/dbraw/zinc/10/35/45/1024103545.db2.gz XQSPVTSYCBJXGF-HXUWFJFHSA-N -1 0 349.459 3.860 20 0 EHADRM CCCn1nc(C)c(-c2cccc(-c3cc(C(=O)[O-])on3)c2)c1C ZINC000657205567 1024112269 /nfs/dbraw/zinc/11/22/69/1024112269.db2.gz MDJPVHZJSWWYOZ-UHFFFAOYSA-N -1 0 325.368 3.930 20 0 EHADRM COC[C@H](C)Oc1cccc(-c2ccc(F)cc2CCC(=O)[O-])c1 ZINC000657205324 1024112353 /nfs/dbraw/zinc/11/23/53/1024112353.db2.gz OHTHZYCILSJHMH-ZDUSSCGKSA-N -1 0 332.371 3.924 20 0 EHADRM COCCCOc1ccc(-c2ccc3c(c2)CC[C@H]3C(=O)[O-])cc1 ZINC000657207089 1024114315 /nfs/dbraw/zinc/11/43/15/1024114315.db2.gz HRNWIVURMKXYRY-LJQANCHMSA-N -1 0 326.392 3.883 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2OC)cc1 ZINC000520568036 1024116455 /nfs/dbraw/zinc/11/64/55/1024116455.db2.gz QGPYWARPRMPHQN-UHFFFAOYSA-N -1 0 341.816 3.548 20 0 EHADRM O=C(NCCC[C@@H]1CCCC[C@H]1O)c1c([O-])cc(Cl)cc1Cl ZINC000134503456 1024124479 /nfs/dbraw/zinc/12/44/79/1024124479.db2.gz BAETXXSVYQVWSL-GXFFZTMASA-N -1 0 346.254 3.760 20 0 EHADRM COc1nc(C(F)(F)F)ccc1-c1ccccc1[C@H](OC)C(=O)[O-] ZINC000657206770 1024128806 /nfs/dbraw/zinc/12/88/06/1024128806.db2.gz QUYLUOXIWOQCHX-ZDUSSCGKSA-N -1 0 341.285 3.548 20 0 EHADRM COc1ccc(CCC(=O)[O-])cc1-c1cccc2c1OCCCO2 ZINC000657207449 1024130585 /nfs/dbraw/zinc/13/05/85/1024130585.db2.gz LQAASNLDVMYABT-UHFFFAOYSA-N -1 0 328.364 3.541 20 0 EHADRM CC[C@@H](C)[C@@H](NS(=O)(=O)c1cc(C)c(C)s1)C(F)(F)F ZINC000443946049 1024144949 /nfs/dbraw/zinc/14/49/49/1024144949.db2.gz XMODBULTFGNSAU-RDDDGLTNSA-N -1 0 329.409 3.620 20 0 EHADRM C[C@@H](NC(=O)N=c1[n-]nc(C(C)(C)C)s1)c1cc2ccccc2o1 ZINC000443569496 1024155879 /nfs/dbraw/zinc/15/58/79/1024155879.db2.gz LASWWNZXQWHCKV-SNVBAGLBSA-N -1 0 344.440 3.886 20 0 EHADRM CCCn1ccc2cc(NC(=O)N3CCCC[C@H]3C(=O)[O-])ccc21 ZINC000579511511 1024178158 /nfs/dbraw/zinc/17/81/58/1024178158.db2.gz KGUJGLXMXXUFDB-INIZCTEOSA-N -1 0 329.400 3.522 20 0 EHADRM Cc1cc(C(=O)N=c2cc(C)c(C)n[n-]2)sc1-c1ccc(F)cc1 ZINC000522315014 1024207742 /nfs/dbraw/zinc/20/77/42/1024207742.db2.gz DUIJYSFNTJIRTF-UHFFFAOYSA-N -1 0 341.411 3.944 20 0 EHADRM COc1ccc2oc(CN[C@H](CSCC=C(C)C)C(=O)[O-])cc2c1 ZINC000417635019 1024223324 /nfs/dbraw/zinc/22/33/24/1024223324.db2.gz ZZYBXRXRXHYUKW-MRXNPFEDSA-N -1 0 349.452 3.684 20 0 EHADRM CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000192548155 1024255357 /nfs/dbraw/zinc/25/53/57/1024255357.db2.gz NRXNMQTUKKYCLV-KBPBESRZSA-N -1 0 329.799 3.508 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)[C@@H](C)c2ccccc2F)cc1)C(=O)[O-] ZINC000191433961 1024310929 /nfs/dbraw/zinc/31/09/29/1024310929.db2.gz MHZLFWAEUGISHL-OLZOCXBDSA-N -1 0 329.371 3.831 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCc1cc2ccccc2o1 ZINC000330119493 1024323690 /nfs/dbraw/zinc/32/36/90/1024323690.db2.gz ZYNLBQWSZRTUEL-XKQJLSEDSA-N -1 0 341.407 3.610 20 0 EHADRM C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc2cnccc21)C1CCCC1 ZINC000079151653 1024335412 /nfs/dbraw/zinc/33/54/12/1024335412.db2.gz IUGQHDBEAAOSCD-GFCCVEGCSA-N -1 0 332.425 3.706 20 0 EHADRM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cccc(C(F)F)c1 ZINC000522357861 1024336856 /nfs/dbraw/zinc/33/68/56/1024336856.db2.gz LSEIGKCLLXPPIG-UHFFFAOYSA-N -1 0 343.399 3.819 20 0 EHADRM CC[C@]1(CNC(=O)c2ccc(Cl)c([O-])c2)OCCc2ccccc21 ZINC001141777614 1024375054 /nfs/dbraw/zinc/37/50/54/1024375054.db2.gz MNXYZLVZWCOMLM-LJQANCHMSA-N -1 0 345.826 3.654 20 0 EHADRM Cc1cccnc1C(C)(C)CNC(=O)CC1(C(=O)[O-])CCCCCC1 ZINC000520674018 1024400089 /nfs/dbraw/zinc/40/00/89/1024400089.db2.gz WYMRACYPHBNFCJ-UHFFFAOYSA-N -1 0 346.471 3.599 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000520679672 1024406984 /nfs/dbraw/zinc/40/69/84/1024406984.db2.gz MWKFNWHJHAVUPO-CYBMUJFWSA-N -1 0 347.436 3.600 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N[C@@H]3CC[C@H](C(=O)[O-])C3)c(F)c2)cc1 ZINC000194468169 1024416010 /nfs/dbraw/zinc/41/60/10/1024416010.db2.gz ZKHITXFBBGFVKY-JKSUJKDBSA-N -1 0 341.382 3.784 20 0 EHADRM CCC(CC)c1n[n-]c(=NCc2cnn(Cc3ccccc3)c2)s1 ZINC000346119671 1024420077 /nfs/dbraw/zinc/42/00/77/1024420077.db2.gz NECLDGFWKOCAFX-UHFFFAOYSA-N -1 0 341.484 3.721 20 0 EHADRM COc1cc(OC)c([N-]S(=O)(=O)c2sccc2C)cc1Cl ZINC000607611811 1033214132 /nfs/dbraw/zinc/21/41/32/1033214132.db2.gz ZFTYJHSDOZRSAS-UHFFFAOYSA-N -1 0 347.845 3.528 20 0 EHADRM Cc1cccc(C)c1Oc1ccccc1[N-]S(=O)(=O)c1cn[nH]c1 ZINC000511270218 1033214308 /nfs/dbraw/zinc/21/43/08/1033214308.db2.gz IFCKCVJKXOROPS-UHFFFAOYSA-N -1 0 343.408 3.620 20 0 EHADRM O=S(=O)([N-]c1noc2ccc(Cl)cc21)c1cc(F)cc(F)c1 ZINC000427634324 1024561508 /nfs/dbraw/zinc/56/15/08/1024561508.db2.gz RUEUEUZZADCGHT-UHFFFAOYSA-N -1 0 344.726 3.560 20 0 EHADRM C[C@@H](NC(=O)CC1(CC(=O)[O-])CCCCC1)c1cccc(F)c1F ZINC000346324138 1024624010 /nfs/dbraw/zinc/62/40/10/1024624010.db2.gz SHXMTPCXVWMOKI-GFCCVEGCSA-N -1 0 339.382 3.957 20 0 EHADRM CC[C@@H](C(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1)c1ccccc1 ZINC000262535708 1033223810 /nfs/dbraw/zinc/22/38/10/1033223810.db2.gz JRPNOPXCMMFSDM-WCQYABFASA-N -1 0 332.425 3.521 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCCN(c2ccccc2Cl)CC1 ZINC000425317320 1024742833 /nfs/dbraw/zinc/74/28/33/1024742833.db2.gz ZWOXFNYJDPOHIR-UHFFFAOYSA-N -1 0 348.805 3.537 20 0 EHADRM CC(C)n1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000281207934 1024750644 /nfs/dbraw/zinc/75/06/44/1024750644.db2.gz SLJGUDUUMSZGII-UHFFFAOYSA-N -1 0 334.228 3.572 20 0 EHADRM Cc1ccc(N2CCOC2=O)cc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000173281829 1033233175 /nfs/dbraw/zinc/23/31/75/1033233175.db2.gz DCYKLOTZYDUWPC-UHFFFAOYSA-N -1 0 346.770 3.563 20 0 EHADRM O=S(=O)([N-]c1ccccc1Nc1ccc(F)cc1)c1ccoc1 ZINC000507920372 1024766865 /nfs/dbraw/zinc/76/68/65/1024766865.db2.gz URUZUVFJSZPETP-UHFFFAOYSA-N -1 0 332.356 3.963 20 0 EHADRM CO[C@H](C)c1nc(=NC(=O)N[C@@H](C)CCC2CCCCC2)s[n-]1 ZINC000514818926 1024776097 /nfs/dbraw/zinc/77/60/97/1024776097.db2.gz QNGJIAWQCSYNNL-NWDGAFQWSA-N -1 0 340.493 3.538 20 0 EHADRM O=C([O-])CN(C(=O)NCc1cccc2ccccc21)C1CCCCC1 ZINC000684710134 1024841331 /nfs/dbraw/zinc/84/13/31/1024841331.db2.gz GLWKWSBKXGKPJJ-UHFFFAOYSA-N -1 0 340.423 3.769 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)NCc1ccc(F)cc1 ZINC000684711258 1024862987 /nfs/dbraw/zinc/86/29/87/1024862987.db2.gz RRHCCGCSYMAIAP-QGZVFWFLSA-N -1 0 344.386 3.573 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)NCc1ccc(F)cc1 ZINC000684711257 1024863369 /nfs/dbraw/zinc/86/33/69/1024863369.db2.gz RRHCCGCSYMAIAP-KRWDZBQOSA-N -1 0 344.386 3.573 20 0 EHADRM CCC(CC)(NC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000684712315 1024882625 /nfs/dbraw/zinc/88/26/25/1024882625.db2.gz IPEXMKNGWJPFBJ-SNVBAGLBSA-N -1 0 346.349 3.709 20 0 EHADRM Cc1cc2c(cc1C)O[C@H](C(=O)Nc1cc(F)cc(Cl)c1[O-])C2 ZINC000474440265 1024974204 /nfs/dbraw/zinc/97/42/04/1024974204.db2.gz XQYZPQCZTMXWPU-HNNXBMFYSA-N -1 0 335.762 3.744 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)NCc2ccc(Cl)cc2)s1 ZINC000515105620 1025023747 /nfs/dbraw/zinc/02/37/47/1025023747.db2.gz UUKSOGJWDIEEDD-UHFFFAOYSA-N -1 0 338.864 3.839 20 0 EHADRM Cc1nc([N-]S(=O)(=O)c2csc3ccccc32)cc(C2CC2)n1 ZINC000520822612 1025074362 /nfs/dbraw/zinc/07/43/62/1025074362.db2.gz XSGXGKWTBZCFGP-UHFFFAOYSA-N -1 0 345.449 3.678 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)N[C@H]1CCCc2sccc21)C(=O)[O-] ZINC000684729524 1025074471 /nfs/dbraw/zinc/07/44/71/1025074471.db2.gz YQTWZKZTLKWGAS-QWHCGFSZSA-N -1 0 338.473 3.704 20 0 EHADRM CCCn1ccnc1CCCN(C)C(=O)c1ccc(C(C)C)cc1O ZINC000277433945 1025086150 /nfs/dbraw/zinc/08/61/50/1025086150.db2.gz DZFFYOWLHOZDOI-UHFFFAOYSA-N -1 0 343.471 3.827 20 0 EHADRM O=C(Nc1nc2c(cccc2Cl)[nH]1)c1cc(F)c(F)c([O-])c1F ZINC000342370375 1025088418 /nfs/dbraw/zinc/08/84/18/1025088418.db2.gz JQJDUYOXEYUCPE-UHFFFAOYSA-N -1 0 341.676 3.592 20 0 EHADRM COc1cc(C)c(NS(=O)(=O)c2ccc3ncsc3c2)cc1C ZINC000435720640 1025105046 /nfs/dbraw/zinc/10/50/46/1025105046.db2.gz CJINYWWAQZGYEE-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM CCCCCc1ccc(NC(=O)N2CC[C@@H](OC)C[C@H]2C(=O)[O-])cc1 ZINC000684742155 1025184787 /nfs/dbraw/zinc/18/47/87/1025184787.db2.gz OOXBVADWTIODBI-SJORKVTESA-N -1 0 348.443 3.515 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cccc(-c3nccs3)c2)[C@H](C(=O)[O-])C1 ZINC000684745445 1025213392 /nfs/dbraw/zinc/21/33/92/1025213392.db2.gz JVUABNOJHZWRQQ-RISCZKNCSA-N -1 0 345.424 3.527 20 0 EHADRM COc1ccc([C@H]2CCCN2C(=O)CC2CCC(C(=O)[O-])CC2)cc1 ZINC000574522196 1033270049 /nfs/dbraw/zinc/27/00/49/1033270049.db2.gz QQMSXAJOANRFQT-JFUPDXTOSA-N -1 0 345.439 3.640 20 0 EHADRM CCN(Cc1ccc(C)cc1)C(=O)N=c1[n-]nc(C(C)(C)C)s1 ZINC000521208935 1025264198 /nfs/dbraw/zinc/26/41/98/1025264198.db2.gz JKZFFELKSJWVLO-UHFFFAOYSA-N -1 0 332.473 3.620 20 0 EHADRM CSc1c(F)cc(NC(=O)N2CCCCC[C@@H]2C(=O)[O-])cc1F ZINC000684749538 1025264727 /nfs/dbraw/zinc/26/47/27/1025264727.db2.gz PKRZCZCBQVLOBU-GFCCVEGCSA-N -1 0 344.383 3.548 20 0 EHADRM O=C([O-])c1ccc(NC(=O)/C=C\c2nc3ccccc3o2)cc1Cl ZINC000324371587 1025294334 /nfs/dbraw/zinc/29/43/34/1025294334.db2.gz JRWNOINSVDEIEN-FPLPWBNLSA-N -1 0 342.738 3.831 20 0 EHADRM CCc1ccccc1[N-]S(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000436006301 1025302714 /nfs/dbraw/zinc/30/27/14/1025302714.db2.gz JNXRQUSGLLYVLK-UHFFFAOYSA-N -1 0 339.420 3.507 20 0 EHADRM COc1ccc(-c2n[n-]c(=NCc3ccc(F)cc3Cl)o2)cc1 ZINC000436025633 1025310471 /nfs/dbraw/zinc/31/04/71/1025310471.db2.gz MMJMDFPCPQZDRH-UHFFFAOYSA-N -1 0 333.750 3.572 20 0 EHADRM Cn1cc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])c(C2CCC2)n1 ZINC000582109108 1025315846 /nfs/dbraw/zinc/31/58/46/1025315846.db2.gz NBPOVLMQDSEUDR-UHFFFAOYSA-N -1 0 340.210 3.952 20 0 EHADRM C[C@@H](NS(=O)(=O)c1c(Cl)cc(F)cc1Cl)C1CCC1 ZINC000684763487 1025367793 /nfs/dbraw/zinc/36/77/93/1025367793.db2.gz QAGMIOFSVICWAB-SSDOTTSWSA-N -1 0 326.220 3.599 20 0 EHADRM COc1cccc([C@@H](C)NC(=O)CC2(C(=O)[O-])CCCCCC2)c1 ZINC000324374686 1025367814 /nfs/dbraw/zinc/36/78/14/1025367814.db2.gz LQNVDSLRUHXOPM-CQSZACIVSA-N -1 0 333.428 3.688 20 0 EHADRM Cc1ccc(NC(=O)c2nn(-c3ccccc3F)cc2[O-])cc1Cl ZINC000521442309 1025379622 /nfs/dbraw/zinc/37/96/22/1025379622.db2.gz ZSTLFHRAFFCXJU-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cccc3ncccc23)c1 ZINC000342429436 1025397943 /nfs/dbraw/zinc/39/79/43/1025397943.db2.gz KKONMIZSVPPFDQ-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM CC(C)[C@@H](NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000013468919 1025398294 /nfs/dbraw/zinc/39/82/94/1025398294.db2.gz HKOXDNJZGCZYFF-CTNGQTDRSA-N -1 0 339.435 3.933 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000442757302 1025458009 /nfs/dbraw/zinc/45/80/09/1025458009.db2.gz LYCSQWAPVMRICG-MRXNPFEDSA-N -1 0 346.471 3.537 20 0 EHADRM Cc1cc2cc(CN=c3[n-]nc(Cc4ccccc4)s3)ccc2[nH]1 ZINC000515686914 1025473674 /nfs/dbraw/zinc/47/36/74/1025473674.db2.gz SDWYSJZGVPXXPU-UHFFFAOYSA-N -1 0 334.448 3.953 20 0 EHADRM CCc1ccc(NC(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])cc1CC ZINC000559585347 1025492402 /nfs/dbraw/zinc/49/24/02/1025492402.db2.gz RWAHNIYPIALXBZ-USXIJHARSA-N -1 0 330.428 3.528 20 0 EHADRM CCc1ncc(S(=O)(=O)[N-]c2ccccc2C(C)(F)F)s1 ZINC000451081646 1025521452 /nfs/dbraw/zinc/52/14/52/1025521452.db2.gz FDXYNGUZHYAYOZ-UHFFFAOYSA-N -1 0 332.397 3.618 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2OCCF)sc1C ZINC000451087914 1025527161 /nfs/dbraw/zinc/52/71/61/1025527161.db2.gz VQASMZRINLNGNC-UHFFFAOYSA-N -1 0 329.418 3.514 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2Cl)cc1 ZINC000347104596 1025530670 /nfs/dbraw/zinc/53/06/70/1025530670.db2.gz AVZCVHYJIAXJSO-OLZOCXBDSA-N -1 0 347.773 3.848 20 0 EHADRM CC(C)c1ncsc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000451107291 1025539351 /nfs/dbraw/zinc/53/93/51/1025539351.db2.gz OEMPQVLRIJBUQF-UHFFFAOYSA-N -1 0 336.482 3.946 20 0 EHADRM O=S(=O)([N-]c1ccc2ccoc2c1)c1cnccc1C(F)(F)F ZINC000442853547 1025549977 /nfs/dbraw/zinc/54/99/77/1025549977.db2.gz UNVBCUJOTOMPLJ-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2scnc2C(C)C)cc1C ZINC000451104303 1025566691 /nfs/dbraw/zinc/56/66/91/1025566691.db2.gz REXWUMUMCKWJFT-UHFFFAOYSA-N -1 0 340.470 3.693 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N[C@@H](C)c2cccc(OC)c2)s1 ZINC000515770793 1025577501 /nfs/dbraw/zinc/57/75/01/1025577501.db2.gz YEKLTMSHEQATMP-LBPRGKRZSA-N -1 0 348.472 3.584 20 0 EHADRM COc1ccc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1C1CC1 ZINC000909493180 1025584979 /nfs/dbraw/zinc/58/49/79/1025584979.db2.gz ZNOJRIOMHZXOIG-OAHLLOKOSA-N -1 0 345.439 3.536 20 0 EHADRM Cc1cc(C([O-])=C[S@](=O)[C@H](C)c2ccc(Cl)cc2)c(C)n1C ZINC000521715894 1025619551 /nfs/dbraw/zinc/61/95/51/1025619551.db2.gz FCKIRWQYQCNXKB-DMZKTXOQSA-N -1 0 337.872 3.988 20 0 EHADRM CCc1noc(-c2cc(Br)c([O-])c(Br)c2)n1 ZINC000443090946 1025700530 /nfs/dbraw/zinc/70/05/30/1025700530.db2.gz CYNSXECQUPSABR-UHFFFAOYSA-N -1 0 347.994 3.530 20 0 EHADRM CO[C@@H](C)c1nc(=NC(=O)CC2CCC(C(C)(C)C)CC2)s[n-]1 ZINC000511093260 1025649467 /nfs/dbraw/zinc/64/94/67/1025649467.db2.gz VRKRMJLCEXJMPW-HIFPTAJRSA-N -1 0 339.505 3.849 20 0 EHADRM O=C([O-])[C@H](CC(=O)N[C@H](c1ccco1)c1ccccc1)c1ccccc1 ZINC000054500348 1025657927 /nfs/dbraw/zinc/65/79/27/1025657927.db2.gz CMSVCWYTQATLQX-XLIONFOSSA-N -1 0 349.386 3.744 20 0 EHADRM CC(C)(C)Cc1n[n-]c(=NCc2csc(Br)c2)o1 ZINC000347873600 1025665139 /nfs/dbraw/zinc/66/51/39/1025665139.db2.gz ICTMRUSLONQKPC-UHFFFAOYSA-N -1 0 330.251 3.516 20 0 EHADRM CC(C)(C)CS(=O)(=O)[N-][C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000443041252 1025673372 /nfs/dbraw/zinc/67/33/72/1025673372.db2.gz FYSNXICGSYZGRL-NSHDSACASA-N -1 0 345.333 3.534 20 0 EHADRM O=S(=O)(CCCCF)[N-]c1nc(-c2ccc(Cl)cc2)cs1 ZINC000342466133 1025685259 /nfs/dbraw/zinc/68/52/59/1025685259.db2.gz QCTZFEGUHSRDIV-UHFFFAOYSA-N -1 0 348.852 3.955 20 0 EHADRM Cc1nc(CNCc2cc(F)cc(C(F)(F)F)c2)ccc1C(=O)[O-] ZINC000277530968 1025708061 /nfs/dbraw/zinc/70/80/61/1025708061.db2.gz ZEWKHJLAANPEML-UHFFFAOYSA-N -1 0 342.292 3.536 20 0 EHADRM Cc1cc(C)c([N-]S(=O)(=O)c2cnccc2C(F)(F)F)c(C)c1 ZINC000443139044 1025744519 /nfs/dbraw/zinc/74/45/19/1025744519.db2.gz YABFJCMFICPWOO-UHFFFAOYSA-N -1 0 344.358 3.826 20 0 EHADRM C[C@H]1CCC[C@H](N(C)C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])C1 ZINC000436470656 1025761154 /nfs/dbraw/zinc/76/11/54/1025761154.db2.gz SAGHPRDPVKQKNH-WFASDCNBSA-N -1 0 347.846 3.882 20 0 EHADRM Cc1cc(Sc2n[n-]c(=Nc3cccc(Cl)c3C)s2)ncn1 ZINC000521920291 1025774143 /nfs/dbraw/zinc/77/41/43/1025774143.db2.gz VTOUYKQAOUJCBR-UHFFFAOYSA-N -1 0 349.872 3.915 20 0 EHADRM CCCC[C@@H](NC(=O)C1(c2ccc(F)cc2)CCCCC1)C(=O)[O-] ZINC000347271931 1025778774 /nfs/dbraw/zinc/77/87/74/1025778774.db2.gz VUPNCHXJSONXFV-MRXNPFEDSA-N -1 0 335.419 3.787 20 0 EHADRM CCCC[C@@H](NC(=O)CCc1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000347264385 1025780639 /nfs/dbraw/zinc/78/06/39/1025780639.db2.gz HSVIOCGZNCUYPP-GOSISDBHSA-N -1 0 347.455 3.700 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000521929712 1025791433 /nfs/dbraw/zinc/79/14/33/1025791433.db2.gz LJHODMDRYHEZQE-NSHDSACASA-N -1 0 335.498 3.624 20 0 EHADRM O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc(Cl)cc1[O-] ZINC000436509237 1025804817 /nfs/dbraw/zinc/80/48/17/1025804817.db2.gz AAYKSTCWMLQIEA-OAHLLOKOSA-N -1 0 347.798 3.856 20 0 EHADRM O=C(N[C@@H](c1nccs1)C(F)(F)F)c1ccc([O-])c(Cl)c1 ZINC000436560871 1025885127 /nfs/dbraw/zinc/88/51/27/1025885127.db2.gz FYOQGLRYPCHXSC-VIFPVBQESA-N -1 0 336.722 3.536 20 0 EHADRM C[C@H]1CN(C)c2ccccc2N(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000436593691 1025911061 /nfs/dbraw/zinc/91/10/61/1025911061.db2.gz FYQJDNOBGRXBHD-LBPRGKRZSA-N -1 0 330.815 3.778 20 0 EHADRM O=C(N[C@@H]1CCCC[C@H]1n1cccn1)c1ccc2ccccc2c1O ZINC000436589963 1025927461 /nfs/dbraw/zinc/92/74/61/1025927461.db2.gz XGFSAKHMFHPYIQ-QZTJIDSGSA-N -1 0 335.407 3.656 20 0 EHADRM Cc1cccnc1C(C)(C)CNC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436618373 1025931308 /nfs/dbraw/zinc/93/13/08/1025931308.db2.gz NKMLEMQWPMGMRC-UHFFFAOYSA-N -1 0 336.794 3.596 20 0 EHADRM O=C(c1c([O-])cc(Cl)cc1Cl)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000436609768 1025940361 /nfs/dbraw/zinc/94/03/61/1025940361.db2.gz SHVKKFPHIHVSTC-MNOVXSKESA-N -1 0 344.238 3.588 20 0 EHADRM CC[C@@H]1CN(c2ccccc2)CCN1C(=O)c1ccc([O-])c(Cl)c1 ZINC000436614396 1025945661 /nfs/dbraw/zinc/94/56/61/1025945661.db2.gz XBMGUXQPXCFMCR-OAHLLOKOSA-N -1 0 344.842 3.787 20 0 EHADRM Cc1cc(CN=c2[n-]nc(Cc3ccsc3)o2)cc2cccnc12 ZINC000342507083 1025953170 /nfs/dbraw/zinc/95/31/70/1025953170.db2.gz YIDMQHXDFNHSGM-UHFFFAOYSA-N -1 0 336.420 3.613 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2ccc([C@@H]3CCCOC3)cc2)c1 ZINC000436632189 1025962090 /nfs/dbraw/zinc/96/20/90/1025962090.db2.gz VSQAOWOIWBOJMZ-QGZVFWFLSA-N -1 0 339.391 3.741 20 0 EHADRM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000436639069 1025967701 /nfs/dbraw/zinc/96/77/01/1025967701.db2.gz MSQOCCBFYLEBSE-INIZCTEOSA-N -1 0 337.341 3.807 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)COc2ccccc2CC)c1 ZINC000436653941 1025979482 /nfs/dbraw/zinc/97/94/82/1025979482.db2.gz VTXTUHJLDVLYEB-UHFFFAOYSA-N -1 0 327.380 3.565 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@]23CCc2ccccc23)c1 ZINC000436652924 1025980259 /nfs/dbraw/zinc/98/02/59/1025980259.db2.gz RHYXJWMXTONRKZ-KKSFZXQISA-N -1 0 335.403 3.828 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CCc2ccc(OC)cc2)c1 ZINC000436653437 1025984238 /nfs/dbraw/zinc/98/42/38/1025984238.db2.gz VBDUHEZVPNZRRM-UHFFFAOYSA-N -1 0 327.380 3.565 20 0 EHADRM CCOc1cccc(S(=O)(=O)[N-]c2cc(C)cc3cccnc32)c1 ZINC000443406284 1026003807 /nfs/dbraw/zinc/00/38/07/1026003807.db2.gz MKDFQLLYCKQZIS-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM COc1ccc(O)cc1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000444290393 1026006602 /nfs/dbraw/zinc/00/66/02/1026006602.db2.gz OMIPMVAJZPBOBM-UHFFFAOYSA-N -1 0 328.151 3.666 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(F)F)c1 ZINC000436660067 1026020490 /nfs/dbraw/zinc/02/04/90/1026020490.db2.gz UCBRAKDXWCIFIM-SJORKVTESA-N -1 0 345.345 3.972 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)c1 ZINC000436676912 1026025060 /nfs/dbraw/zinc/02/50/60/1026025060.db2.gz AOPZLHIPWCTNOF-LAUBAEHRSA-N -1 0 335.403 3.828 20 0 EHADRM Cc1cnc(NC(=O)c2cc(Br)cc(Cl)c2[O-])s1 ZINC000436676360 1026026797 /nfs/dbraw/zinc/02/67/97/1026026797.db2.gz ZNFDLAQCMGDNEN-UHFFFAOYSA-N -1 0 347.621 3.825 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2oc(Br)cc2C)c1 ZINC000436677343 1026027519 /nfs/dbraw/zinc/02/75/19/1026027519.db2.gz XFSJWRXQLZQICF-UHFFFAOYSA-N -1 0 338.157 3.511 20 0 EHADRM C[C@@H](CCO)C1(CNC(=O)c2c([O-])cc(Cl)cc2Cl)CCC1 ZINC000436678487 1026027911 /nfs/dbraw/zinc/02/79/11/1026027911.db2.gz BTSKMQVUZRQBDV-JTQLQIEISA-N -1 0 346.254 3.618 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2occc2-c2ccc(F)cc2)C1 ZINC000191209684 1026028856 /nfs/dbraw/zinc/02/88/56/1026028856.db2.gz BXOUGXQTTIIKMC-CYBMUJFWSA-N -1 0 345.370 3.803 20 0 EHADRM C[C@H](NC(=O)N=c1ccc(C2CC2)n[n-]1)c1cc2cccc(F)c2o1 ZINC000530546938 1026030326 /nfs/dbraw/zinc/03/03/26/1026030326.db2.gz OJCARMGYRPIBMX-JTQLQIEISA-N -1 0 340.358 3.544 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CSCc2ccc(C)cc2)c1 ZINC000436681151 1026034239 /nfs/dbraw/zinc/03/42/39/1026034239.db2.gz QBFXVMIPQDPHKU-UHFFFAOYSA-N -1 0 329.421 3.775 20 0 EHADRM O=C(Nc1ccc(OC2CCCC2)c(F)c1)C(=O)c1ccc(O)cc1 ZINC000436694886 1026051706 /nfs/dbraw/zinc/05/17/06/1026051706.db2.gz BXUWMLZUCCODBG-UHFFFAOYSA-N -1 0 343.354 3.674 20 0 EHADRM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000665328065 1026054302 /nfs/dbraw/zinc/05/43/02/1026054302.db2.gz CKGPHHHEHQGKTE-NHYWBVRUSA-N -1 0 338.835 3.543 20 0 EHADRM CN(Cc1csc2ccccc12)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000665328774 1026059431 /nfs/dbraw/zinc/05/94/31/1026059431.db2.gz RRLDHHHENYJLQH-HNNXBMFYSA-N -1 0 346.452 3.544 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCc3ccccc32)c(F)c1 ZINC000075040219 1026062108 /nfs/dbraw/zinc/06/21/08/1026062108.db2.gz LJGSIXQASWNUCW-OAHLLOKOSA-N -1 0 347.411 3.899 20 0 EHADRM COc1cnc2ccccc2c1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000436706566 1026070599 /nfs/dbraw/zinc/07/05/99/1026070599.db2.gz SAZVNAXMKKBGLW-UHFFFAOYSA-N -1 0 346.745 3.994 20 0 EHADRM CC(C)CCc1ccc(S(=O)(=O)[N-]c2cnn(C(C)C)c2)cc1 ZINC000550474577 1026082012 /nfs/dbraw/zinc/08/20/12/1026082012.db2.gz SXDUSIIQPUUICQ-UHFFFAOYSA-N -1 0 335.473 3.853 20 0 EHADRM Cc1cc(C)cc([N-]S(=O)(=O)c2sccc2Br)c1 ZINC000042350488 1026083850 /nfs/dbraw/zinc/08/38/50/1026083850.db2.gz KXAWZGGYQYLNAQ-UHFFFAOYSA-N -1 0 346.271 3.928 20 0 EHADRM O=C(Nc1cnc(-c2ccccc2)nc1)c1ccc(Cl)cc1[O-] ZINC000436739272 1026106625 /nfs/dbraw/zinc/10/66/25/1026106625.db2.gz NNHQIZQQNUEBDU-UHFFFAOYSA-N -1 0 325.755 3.755 20 0 EHADRM O=C(NC1CC(C(F)(F)F)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000436740746 1026110331 /nfs/dbraw/zinc/11/03/31/1026110331.db2.gz RQDVUCKXIKWRGD-UHFFFAOYSA-N -1 0 328.117 3.770 20 0 EHADRM O=C(Nc1ccc(Oc2ccccc2F)nc1)c1ccc(O)cc1O ZINC000436730394 1026118697 /nfs/dbraw/zinc/11/86/97/1026118697.db2.gz WNOSBLKMXUDFCD-UHFFFAOYSA-N -1 0 340.310 3.677 20 0 EHADRM CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(Cl)cc2[O-])c1 ZINC000436753743 1026141704 /nfs/dbraw/zinc/14/17/04/1026141704.db2.gz GENMDOZWWLIVOL-UHFFFAOYSA-N -1 0 346.814 3.780 20 0 EHADRM O=C([O-])C1CCC(C(=O)N[C@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000262718406 1026226569 /nfs/dbraw/zinc/22/65/69/1026226569.db2.gz ONJKPYPEWRYRJV-FOIPXRHGSA-N -1 0 329.440 3.720 20 0 EHADRM O=C([O-])CSCC(=O)Nc1cccc(CCCc2ccccc2)c1 ZINC000564960891 1026246436 /nfs/dbraw/zinc/24/64/36/1026246436.db2.gz OCQCDZYDNXZTIM-UHFFFAOYSA-N -1 0 343.448 3.618 20 0 EHADRM Cc1ccc(NC(=O)CC2(C(=O)[O-])CCC2)c(OCC(F)(F)F)c1 ZINC000262436704 1026259428 /nfs/dbraw/zinc/25/94/28/1026259428.db2.gz CHNJSQKNOJJDRM-UHFFFAOYSA-N -1 0 345.317 3.520 20 0 EHADRM CCN(CC)C(=O)c1ccc(NC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000192698349 1026329863 /nfs/dbraw/zinc/32/98/63/1026329863.db2.gz YJWCAORWIFFQJB-UHFFFAOYSA-N -1 0 346.814 3.780 20 0 EHADRM CCC(C)(C)c1ccc(C(=O)N=c2nc([C@H](C)OC)[n-]s2)cc1 ZINC000511132732 1026363049 /nfs/dbraw/zinc/36/30/49/1026363049.db2.gz UAMIOBWNXMTJOP-NSHDSACASA-N -1 0 333.457 3.607 20 0 EHADRM CCOC(=O)c1cnc(NC(=O)c2oc3ccc(Cl)cc3c2C)[n-]1 ZINC000339174179 1026399301 /nfs/dbraw/zinc/39/93/01/1026399301.db2.gz QXSWQZDCLSDASO-UHFFFAOYSA-N -1 0 347.758 3.547 20 0 EHADRM CCC(C)(C)N(C)C(=O)NC[C@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000684894613 1026434026 /nfs/dbraw/zinc/43/40/26/1026434026.db2.gz DWSGFQNWGNGKEF-ZDUSSCGKSA-N -1 0 340.851 3.728 20 0 EHADRM Cc1cc(C(=O)[O-])cc(N(C)c2cc(Br)ccc2N)c1 ZINC001211547083 1026443254 /nfs/dbraw/zinc/44/32/54/1026443254.db2.gz DOYDWDMVVVUDCB-UHFFFAOYSA-N -1 0 335.201 3.806 20 0 EHADRM CCC(C)(C)N(C)C(=O)N(CCC(=O)[O-])Cc1ccccc1Cl ZINC000684895525 1026448764 /nfs/dbraw/zinc/44/87/64/1026448764.db2.gz AQYFSYHAEKLCFO-UHFFFAOYSA-N -1 0 340.851 3.857 20 0 EHADRM O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1ccc([O-])c(Cl)c1 ZINC000192856273 1026477991 /nfs/dbraw/zinc/47/79/91/1026477991.db2.gz JCRVPSWFWBIQDL-UHFFFAOYSA-N -1 0 344.798 3.534 20 0 EHADRM CCO[C@@H](CCNC(=O)CC1(C(=O)[O-])CCCCC1)C1CCCC1 ZINC000531087535 1026551531 /nfs/dbraw/zinc/55/15/31/1026551531.db2.gz AGQOKDJCMFSVMD-INIZCTEOSA-N -1 0 339.476 3.513 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)CC2(CC(=O)[O-])CCCCC2)cc1 ZINC000325308796 1026620880 /nfs/dbraw/zinc/62/08/80/1026620880.db2.gz YCOMWUPCDAEOBI-CQSZACIVSA-N -1 0 333.428 3.688 20 0 EHADRM CCc1cc(=O)[nH]c(-c2ccc(NCc3cc4ccccc4[nH]3)nc2)n1 ZINC000301184107 1026714649 /nfs/dbraw/zinc/71/46/49/1026714649.db2.gz SKXNOLUFBSEYQX-UHFFFAOYSA-N -1 0 345.406 3.900 20 0 EHADRM OCC[C@H](Nc1nc(-c2cccc(Cl)c2)no1)c1cccs1 ZINC000301363326 1026776650 /nfs/dbraw/zinc/77/66/50/1026776650.db2.gz PRDDICKCCAPNFB-LBPRGKRZSA-N -1 0 335.816 3.987 20 0 EHADRM CCC[C@](C)(NC(=O)Nc1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000582657787 1026880762 /nfs/dbraw/zinc/88/07/62/1026880762.db2.gz TWXAVBBQNRTESY-HNNXBMFYSA-N -1 0 346.349 3.946 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cccc3ncccc32)cc1C ZINC000342784117 1027031810 /nfs/dbraw/zinc/03/18/10/1027031810.db2.gz RJLIESNBCZSHGO-GFCCVEGCSA-N -1 0 344.440 3.512 20 0 EHADRM CCOc1cc(/C=C/c2nc(C(=O)[O-])ccc2C#N)cc(Cl)c1O ZINC000075474344 1027138525 /nfs/dbraw/zinc/13/85/25/1027138525.db2.gz BFOBFGSDRBGXMS-HWKANZROSA-N -1 0 344.754 3.580 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cc(C(C)(C)C)no1 ZINC000414447311 1027426614 /nfs/dbraw/zinc/42/66/14/1027426614.db2.gz ZQZVWOYQWXWPHQ-UHFFFAOYSA-N -1 0 328.821 3.735 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000261863736 1027547555 /nfs/dbraw/zinc/54/75/55/1027547555.db2.gz GIBVJESGYFDVHZ-ZBEGNZNMSA-N -1 0 341.860 3.534 20 0 EHADRM Fc1ccccc1COc1ccc(CN=c2[n-]nc(C3CC3)o2)cc1 ZINC000342839603 1027574903 /nfs/dbraw/zinc/57/49/03/1027574903.db2.gz KDMFCEVWTXFHCU-UHFFFAOYSA-N -1 0 339.370 3.699 20 0 EHADRM CO[C@@H](C)c1nc(C)c(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)s1 ZINC000414462481 1027641434 /nfs/dbraw/zinc/64/14/34/1027641434.db2.gz ZPPSOXGCBRNXMM-KOLCDFICSA-N -1 0 348.424 3.599 20 0 EHADRM COc1ccc(-c2n[n-]c(=N[C@@H]3CCCC(F)(F)C3)s2)cc1 ZINC000420608783 1027643415 /nfs/dbraw/zinc/64/34/15/1027643415.db2.gz JEVDEJOGOJPGGE-LLVKDONJSA-N -1 0 325.384 3.625 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000582775121 1027646273 /nfs/dbraw/zinc/64/62/73/1027646273.db2.gz RDJFHCRLLFHHBB-HNNXBMFYSA-N -1 0 348.443 3.830 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)cc1Cl ZINC000614781884 1027671954 /nfs/dbraw/zinc/67/19/54/1027671954.db2.gz FKASVENNVXILES-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM Cc1ccc(N=c2[n-]nc(SCC(=O)C(C)C)s2)cc1Cl ZINC000501978536 1027675425 /nfs/dbraw/zinc/67/54/25/1027675425.db2.gz PUOGOULEUHGABV-UHFFFAOYSA-N -1 0 341.889 3.983 20 0 EHADRM Cc1c(Cl)cccc1N=c1[n-]nc(SCC(=O)C(C)C)s1 ZINC000501977745 1027685568 /nfs/dbraw/zinc/68/55/68/1027685568.db2.gz NVMKNDZWJXVFCT-UHFFFAOYSA-N -1 0 341.889 3.983 20 0 EHADRM CS[C@@H]1CCCCN(C(=O)c2cccc(Br)c2[O-])C1 ZINC000533399070 1027769491 /nfs/dbraw/zinc/76/94/91/1027769491.db2.gz GILAVNJMPFBSHV-SNVBAGLBSA-N -1 0 344.274 3.512 20 0 EHADRM Cc1cc(NC(=O)C2(Oc3ccccc3)CC2)cc(C(=O)[O-])c1C ZINC000422559837 1027789248 /nfs/dbraw/zinc/78/92/48/1027789248.db2.gz UVIRGQHOTUMFEQ-UHFFFAOYSA-N -1 0 325.364 3.552 20 0 EHADRM O=C(NCc1nccn1-c1ccccc1)c1cc(O)c2ccccc2c1 ZINC000338612231 1027834014 /nfs/dbraw/zinc/83/40/14/1027834014.db2.gz RRUWMWQRDNSZJG-UHFFFAOYSA-N -1 0 343.386 3.661 20 0 EHADRM CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)c1ccc([O-])c(Cl)c1 ZINC000305798099 1027892059 /nfs/dbraw/zinc/89/20/59/1027892059.db2.gz BPEUJQIDQVEJDC-QGZVFWFLSA-N -1 0 333.815 3.550 20 0 EHADRM O=S(=O)([N-]c1cnc(-c2ccccc2)s1)c1ccccc1F ZINC000536629328 1028034711 /nfs/dbraw/zinc/03/47/11/1028034711.db2.gz ALOHQLJYPGUXRZ-UHFFFAOYSA-N -1 0 334.397 3.750 20 0 EHADRM Cc1cc(C)cc([C@H](C)NC(=O)N=c2[n-]nc(CC(C)C)s2)c1 ZINC000503669409 1028053589 /nfs/dbraw/zinc/05/35/89/1028053589.db2.gz FFGAXCPCZISPEP-ZDUSSCGKSA-N -1 0 332.473 3.658 20 0 EHADRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000614838634 1028113667 /nfs/dbraw/zinc/11/36/67/1028113667.db2.gz CNKZNHUKWSDEJS-UHFFFAOYSA-N -1 0 329.780 3.679 20 0 EHADRM CO[C@@H](C)c1nc(=Nc2cccc(CCC(F)(F)F)c2)s[n-]1 ZINC000509539047 1028135366 /nfs/dbraw/zinc/13/53/66/1028135366.db2.gz JVLWYYRKNFIULR-VIFPVBQESA-N -1 0 331.363 3.906 20 0 EHADRM CC(C)COc1cccc([N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000614843601 1028170250 /nfs/dbraw/zinc/17/02/50/1028170250.db2.gz BKFNEPOYGIRBGT-UHFFFAOYSA-N -1 0 341.379 3.800 20 0 EHADRM COc1ccc2oc(C(=O)NCCCCCCCC(=O)[O-])c(C)c2c1 ZINC000237340062 1028170513 /nfs/dbraw/zinc/17/05/13/1028170513.db2.gz DOITVSMHDBOYSX-UHFFFAOYSA-N -1 0 347.411 3.905 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2ccc(OC3CCOCC3)nc2)c1 ZINC001211960728 1028188937 /nfs/dbraw/zinc/18/89/37/1028188937.db2.gz JYYKBJHUZSYUAL-UHFFFAOYSA-N -1 0 348.786 3.735 20 0 EHADRM COC(=O)c1cc(Cl)ncc1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211960663 1028191112 /nfs/dbraw/zinc/19/11/12/1028191112.db2.gz HHJZUXDZMSBGHF-UHFFFAOYSA-N -1 0 341.150 3.617 20 0 EHADRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000614852881 1028209796 /nfs/dbraw/zinc/20/97/96/1028209796.db2.gz ZOUYPUOGJOJJMY-UHFFFAOYSA-N -1 0 325.817 3.848 20 0 EHADRM Cc1noc([N-]S(=O)(=O)c2c(C)sc3c2cccc3C)c1C ZINC000421233045 1028216416 /nfs/dbraw/zinc/21/64/16/1028216416.db2.gz LKCNJPPQOMUECV-UHFFFAOYSA-N -1 0 336.438 3.924 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2cc(-c3ccccn3)c[nH]c2=O)c1 ZINC001211963026 1028220062 /nfs/dbraw/zinc/22/00/62/1028220062.db2.gz UZXUJGCTFZNUCS-UHFFFAOYSA-N -1 0 341.754 3.944 20 0 EHADRM Cc1ccc(-c2nc(C(=O)N3CCCC[C@H]3C(=O)[O-])cs2)c(C)c1 ZINC000136532414 1028258114 /nfs/dbraw/zinc/25/81/14/1028258114.db2.gz PPBJZCHSLNTSAC-HNNXBMFYSA-N -1 0 344.436 3.506 20 0 EHADRM CC[C@H](C)[C@H](C)C(=O)NCc1c(C(=O)[O-])sc2ccsc21 ZINC000431506193 1028279716 /nfs/dbraw/zinc/27/97/16/1028279716.db2.gz GKVFNMUCCXHBSM-IUCAKERBSA-N -1 0 325.455 3.959 20 0 EHADRM COc1ccccc1[C@H]1CCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000069086796 1028416901 /nfs/dbraw/zinc/41/69/01/1028416901.db2.gz NBQFHKOOOQWIPS-CQSZACIVSA-N -1 0 341.436 3.743 20 0 EHADRM Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(Oc2ccccc2)c1 ZINC000069117002 1028421442 /nfs/dbraw/zinc/42/14/42/1028421442.db2.gz DGTXKBIOBNQUKE-UHFFFAOYSA-N -1 0 344.392 3.885 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2ccc3c(c2)C(=O)N(C2CC2)C3)c1 ZINC001211969348 1028424601 /nfs/dbraw/zinc/42/46/01/1028424601.db2.gz DWGMEKWSNSEKFH-UHFFFAOYSA-N -1 0 342.782 3.900 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000236610218 1028559762 /nfs/dbraw/zinc/55/97/62/1028559762.db2.gz LYCSZFJDILUXLL-LOWVWBTDSA-N -1 0 344.238 3.712 20 0 EHADRM CC(C)Sc1ccc([C@H](C)NC(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000236635944 1028560412 /nfs/dbraw/zinc/56/04/12/1028560412.db2.gz CQKCOFSEFZQZKD-NSHDSACASA-N -1 0 333.409 3.969 20 0 EHADRM CC(C)C[C@@H](NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000236775324 1028579879 /nfs/dbraw/zinc/57/98/79/1028579879.db2.gz FSIGIKXZRCJCMQ-SMDDNHRTSA-N -1 0 345.361 3.815 20 0 EHADRM CC(C)C[C@@H](NC(=O)C[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000236775451 1028580157 /nfs/dbraw/zinc/58/01/57/1028580157.db2.gz WWWSJQIGCUYMKP-SMDDNHRTSA-N -1 0 345.361 3.815 20 0 EHADRM CC(C)c1ccsc1C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000236813350 1028591255 /nfs/dbraw/zinc/59/12/55/1028591255.db2.gz OIIMQZSZRUEWOO-CQSZACIVSA-N -1 0 331.437 3.545 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cnn(C)c2-c2ccccc2)s1 ZINC000074563290 1028624639 /nfs/dbraw/zinc/62/46/39/1028624639.db2.gz GBZUXWJSRDFBHF-UHFFFAOYSA-N -1 0 347.465 3.512 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1ccccc1Cl)C(=O)[O-] ZINC000237491028 1028654170 /nfs/dbraw/zinc/65/41/70/1028654170.db2.gz PGFOVXGJUJTMGC-ZDUSSCGKSA-N -1 0 331.799 3.703 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N(CC(=O)[O-])C3CC3)c(F)c2)cc1C ZINC000237711263 1028663029 /nfs/dbraw/zinc/66/30/29/1028663029.db2.gz VSWMIAMTTOSLHR-UHFFFAOYSA-N -1 0 341.382 3.799 20 0 EHADRM Cc1ccc([C@@H](NC(=O)c2ccnc(C(=O)[O-])c2)c2ccccc2)cc1 ZINC000237892035 1028671124 /nfs/dbraw/zinc/67/11/24/1028671124.db2.gz BIGJMWRVNWFHKZ-IBGZPJMESA-N -1 0 346.386 3.608 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2ccc(Oc3cccnc3)cc2)c1 ZINC000238227437 1028681030 /nfs/dbraw/zinc/68/10/30/1028681030.db2.gz VZLMYLPJJHOVTM-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM O=C([O-])c1cc(C(=O)N[C@H](c2cccc(F)c2)C2CCCC2)ccn1 ZINC000238175886 1028681429 /nfs/dbraw/zinc/68/14/29/1028681429.db2.gz BIIODRDWFAOQJI-KRWDZBQOSA-N -1 0 342.370 3.580 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)n1 ZINC000504514482 1028690091 /nfs/dbraw/zinc/69/00/91/1028690091.db2.gz SRRDUGFGNXUKAZ-UHFFFAOYSA-N -1 0 340.470 3.522 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)N=c2nc(C(C)(C)C)[n-]s2)cc1 ZINC000523927911 1028719468 /nfs/dbraw/zinc/71/94/68/1028719468.db2.gz UDPXXBDZICCACW-AWEZNQCLSA-N -1 0 344.484 3.935 20 0 EHADRM O=C(COc1cccnc1)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000343034020 1028725786 /nfs/dbraw/zinc/72/57/86/1028725786.db2.gz WUJIDKMKQXMHQQ-UHFFFAOYSA-N -1 0 347.585 3.765 20 0 EHADRM O=C([O-])[C@@H](NCc1cnc(C2CC2)s1)c1ccc(Cl)c(F)c1 ZINC000583073097 1028752341 /nfs/dbraw/zinc/75/23/41/1028752341.db2.gz AJTOZKJSBBBDJU-ZDUSSCGKSA-N -1 0 340.807 3.729 20 0 EHADRM C[C@@H]1Cc2cc(S(=O)(=O)Nc3ccccc3C(F)F)ccc2O1 ZINC000424069573 1028773491 /nfs/dbraw/zinc/77/34/91/1028773491.db2.gz PXNSDAPSYALPBE-SNVBAGLBSA-N -1 0 339.363 3.748 20 0 EHADRM CCCC(CCC)C(=O)[N-]S(=O)(=O)c1cccc2cc(C)cnc21 ZINC000178766684 1028776749 /nfs/dbraw/zinc/77/67/49/1028776749.db2.gz TWBKGIJSINOLHF-UHFFFAOYSA-N -1 0 348.468 3.565 20 0 EHADRM COCc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000424079130 1028778202 /nfs/dbraw/zinc/77/82/02/1028778202.db2.gz FLUYGKHKQMNGAC-UHFFFAOYSA-N -1 0 345.873 3.966 20 0 EHADRM CC[C@H](C)Sc1ccc(NC(=O)[C@@H](C)O[C@H](C)C(=O)[O-])c(C)c1 ZINC000421806379 1028793727 /nfs/dbraw/zinc/79/37/27/1028793727.db2.gz LWVXVBMXLUCWPO-YNEHKIRRSA-N -1 0 339.457 3.702 20 0 EHADRM Cc1cc(F)c(C(F)(F)F)cc1NC(=O)[C@H]1CCC[C@@H]1C(=O)[O-] ZINC000634837550 1028823448 /nfs/dbraw/zinc/82/34/48/1028823448.db2.gz JNNDKISZFDRJRG-IUCAKERBSA-N -1 0 333.281 3.592 20 0 EHADRM Cc1ccc(-c2[n-][nH]c(=NC(=O)c3ccc(C(C)(C)C)cn3)c2C)o1 ZINC000421886160 1028891218 /nfs/dbraw/zinc/89/12/18/1028891218.db2.gz HAVVGWBRZSZCAT-UHFFFAOYSA-N -1 0 338.411 3.653 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000424227764 1028898040 /nfs/dbraw/zinc/89/80/40/1028898040.db2.gz QZSXUFGCYHWVHJ-INIZCTEOSA-N -1 0 325.408 3.830 20 0 EHADRM COc1cccc(-c2nc(CN3CCC[C@H](C)[C@@H]3C(=O)[O-])cs2)c1 ZINC000424274069 1028948116 /nfs/dbraw/zinc/94/81/16/1028948116.db2.gz VCKIFNSZMHAPDB-BLLLJJGKSA-N -1 0 346.452 3.504 20 0 EHADRM CC[C@H](CNC(=O)C[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000634853984 1029038489 /nfs/dbraw/zinc/03/84/89/1029038489.db2.gz KFOVEKJMCJCSFE-QAPCUYQASA-N -1 0 325.408 3.555 20 0 EHADRM Cc1cc(Br)c(CN2CCC[C@H](C)[C@H]2C(=O)[O-])s1 ZINC000424413820 1029057543 /nfs/dbraw/zinc/05/75/43/1029057543.db2.gz PRUSBVPXZRWHMI-UFBFGSQYSA-N -1 0 332.263 3.504 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)[C@@H](C)OC1CCCCCC1 ZINC000237395612 1029128786 /nfs/dbraw/zinc/12/87/86/1029128786.db2.gz YJRVYDLTOBAJMI-CRAIPNDOSA-N -1 0 347.455 3.755 20 0 EHADRM Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000544407242 1029186814 /nfs/dbraw/zinc/18/68/14/1029186814.db2.gz ADNZFEYVVUXEEB-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM Cc1sc(C(=O)N[C@H](C)CCC(=O)[O-])cc1-c1ccc(F)cc1 ZINC000237420364 1029196666 /nfs/dbraw/zinc/19/66/66/1029196666.db2.gz YEQCQTAEIYUODN-SNVBAGLBSA-N -1 0 335.400 3.846 20 0 EHADRM CCOC(=O)c1ccc(OC)c(Nc2ccc([S-])c(OC)c2)c1 ZINC001211981166 1029224280 /nfs/dbraw/zinc/22/42/80/1029224280.db2.gz QMQGIGKTGPFSMU-UHFFFAOYSA-N -1 0 333.409 3.913 20 0 EHADRM CC[C@H](c1n[n-]c(=NC(=O)N2CC[C@@H]2C(C)C)s1)c1ccccc1 ZINC000454733418 1029248204 /nfs/dbraw/zinc/24/82/04/1029248204.db2.gz JMHVBTZMKOKDOU-LSDHHAIUSA-N -1 0 344.484 3.764 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CC[C@H]1C(F)(F)F ZINC000615029889 1029271853 /nfs/dbraw/zinc/27/18/53/1029271853.db2.gz LIMRNTPBDXXGHD-LBPRGKRZSA-N -1 0 329.705 3.976 20 0 EHADRM CCCC[C@@H](C)N(C)C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000615066145 1029450378 /nfs/dbraw/zinc/45/03/78/1029450378.db2.gz QKMCKEMJNVHZRX-LLVKDONJSA-N -1 0 337.370 3.507 20 0 EHADRM Cc1nc(C=Cc2ccc(Cl)cc2Cl)[nH]c(=O)c1CC(=O)[O-] ZINC000347377621 1029453527 /nfs/dbraw/zinc/45/35/27/1029453527.db2.gz DRAOIXHUWUCBPC-HWKANZROSA-N -1 0 339.178 3.595 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(Br)c(F)cc2[O-])C(C)(C)C1 ZINC000450073998 1029467649 /nfs/dbraw/zinc/46/76/49/1029467649.db2.gz LXHHUUIVTWTAIU-QMMMGPOBSA-N -1 0 330.197 3.554 20 0 EHADRM CCc1oc(C(=O)N(C)Cc2ccc(Cl)c(F)c2)cc1C(=O)[O-] ZINC000261658227 1029470698 /nfs/dbraw/zinc/47/06/98/1029470698.db2.gz NKRHBPQGVRSZLW-UHFFFAOYSA-N -1 0 339.750 3.605 20 0 EHADRM O=C(N[C@H]1C[C@H]1Cc1ccccc1)c1cccc(Br)c1[O-] ZINC000524737046 1029474611 /nfs/dbraw/zinc/47/46/11/1029474611.db2.gz CBCFBHDWAFNVAJ-DOMZBBRYSA-N -1 0 346.224 3.516 20 0 EHADRM O=C(N[C@H]1C[C@@H]1Cc1ccccc1)c1cccc(Br)c1[O-] ZINC000524737049 1029475510 /nfs/dbraw/zinc/47/55/10/1029475510.db2.gz CBCFBHDWAFNVAJ-WFASDCNBSA-N -1 0 346.224 3.516 20 0 EHADRM CCc1oc(C(=O)Nc2cccc(COC(C)C)c2)cc1C(=O)[O-] ZINC000261621965 1029478689 /nfs/dbraw/zinc/47/86/89/1029478689.db2.gz HXAQVKNFMVJCNM-UHFFFAOYSA-N -1 0 331.368 3.718 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)cc(C)c1F ZINC000513815362 1029515997 /nfs/dbraw/zinc/51/59/97/1029515997.db2.gz SCZDCVMNKNSMGR-UHFFFAOYSA-N -1 0 329.780 3.602 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)c1 ZINC000262405636 1029589772 /nfs/dbraw/zinc/58/97/72/1029589772.db2.gz OKXSPFQIWNYRCR-CVEARBPZSA-N -1 0 345.345 3.724 20 0 EHADRM CC(C)[C@@H](CC1CCCC1)C(=O)N=c1nc(-c2cccnc2)[n-]s1 ZINC000533725194 1029636031 /nfs/dbraw/zinc/63/60/31/1029636031.db2.gz LKPRWCRPPDGLOL-OAHLLOKOSA-N -1 0 344.484 3.813 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000262863173 1029646188 /nfs/dbraw/zinc/64/61/88/1029646188.db2.gz DPVIFJJHVHQDTO-CYBMUJFWSA-N -1 0 345.826 3.576 20 0 EHADRM COc1cc(NC(=O)CC[C@H](C)c2ccccc2)ccc1C(=O)[O-] ZINC000262932102 1029652012 /nfs/dbraw/zinc/65/20/12/1029652012.db2.gz LIZZDXWCRMUTIQ-ZDUSSCGKSA-N -1 0 327.380 3.916 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)CSCc1ccc(Cl)cc1 ZINC000262979429 1029654265 /nfs/dbraw/zinc/65/42/65/1029654265.db2.gz NHYJFSVEVHBBEJ-INIZCTEOSA-N -1 0 343.876 3.579 20 0 EHADRM Cc1ccc2c(CC(=O)N[C@@](C)(CC(=O)[O-])C(C)C)coc2c1C ZINC000262998232 1029655494 /nfs/dbraw/zinc/65/54/94/1029655494.db2.gz OQSJRYJOTCONIK-IBGZPJMESA-N -1 0 331.412 3.598 20 0 EHADRM Cc1cc(NC(=O)N2CC[C@@](C)(C(=O)[O-])C2)ccc1-c1ccccc1 ZINC000263025903 1029656546 /nfs/dbraw/zinc/65/65/46/1029656546.db2.gz JWOHHTJNIBDFRJ-HXUWFJFHSA-N -1 0 338.407 3.991 20 0 EHADRM Cc1ccc(-c2ncccc2NC(=O)NC(C)(C)CCC(=O)[O-])s1 ZINC000263030890 1029658505 /nfs/dbraw/zinc/65/85/05/1029658505.db2.gz KMUSPFLCNXPQPU-UHFFFAOYSA-N -1 0 347.440 3.883 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccccc2-c2cccs2)C1 ZINC000263039256 1029659373 /nfs/dbraw/zinc/65/93/73/1029659373.db2.gz CCXZSUCNCUPCNM-OLZOCXBDSA-N -1 0 344.436 3.990 20 0 EHADRM COc1cc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)c(C)cc1C ZINC000263105519 1029667036 /nfs/dbraw/zinc/66/70/36/1029667036.db2.gz VEAZXSWKJBXFFU-UHFFFAOYSA-N -1 0 342.395 3.973 20 0 EHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)[C@H](C)CSc1ccc(F)cc1 ZINC000263129332 1029668666 /nfs/dbraw/zinc/66/86/66/1029668666.db2.gz XQTXQTAYJVFMBZ-SJKOYZFVSA-N -1 0 341.448 3.560 20 0 EHADRM CC(C)(C)[C@H](NC(=O)NCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000263249296 1029680074 /nfs/dbraw/zinc/68/00/74/1029680074.db2.gz OTGBNWPLYVNCBL-CYBMUJFWSA-N -1 0 346.349 3.567 20 0 EHADRM CCCOc1ccc(NC(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC000263277026 1029681958 /nfs/dbraw/zinc/68/19/58/1029681958.db2.gz NNTGKLIVNDFYAV-UHFFFAOYSA-N -1 0 327.380 3.745 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC000263344574 1029688975 /nfs/dbraw/zinc/68/89/75/1029688975.db2.gz SWHFEPRPVVQITM-IJEWVQPXSA-N -1 0 335.419 3.920 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC000263334311 1029689393 /nfs/dbraw/zinc/68/93/93/1029689393.db2.gz QNBGLMKSHSEKFU-GOSISDBHSA-N -1 0 347.455 3.618 20 0 EHADRM CCC1(CC)CN(C(=O)c2ccc(C(=O)[O-])c(C)n2)c2ccccc21 ZINC000263358810 1029690209 /nfs/dbraw/zinc/69/02/09/1029690209.db2.gz SRANSFYQCDHALB-UHFFFAOYSA-N -1 0 338.407 3.806 20 0 EHADRM O=C(Nc1nc(C2CCC2)cs1)c1cc(F)c(F)c([O-])c1F ZINC000278212960 1029690400 /nfs/dbraw/zinc/69/04/00/1029690400.db2.gz SZKCAPKSKGRCBC-UHFFFAOYSA-N -1 0 328.315 3.786 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1 ZINC000263383201 1029692928 /nfs/dbraw/zinc/69/29/28/1029692928.db2.gz XQNVBCDIKCMBHL-DZGCQCFKSA-N -1 0 343.448 3.906 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cc(C(=O)[O-])ccn1 ZINC000263378934 1029693060 /nfs/dbraw/zinc/69/30/60/1029693060.db2.gz CAQBAXHNUJTCSE-RYUDHWBXSA-N -1 0 346.814 3.697 20 0 EHADRM O=C([O-])C1CCC(NC(=O)NC2CCC3(CCCCC3)CC2)CC1 ZINC000263399682 1029694119 /nfs/dbraw/zinc/69/41/19/1029694119.db2.gz RWQOOBGJPVRZGM-UHFFFAOYSA-N -1 0 336.476 3.822 20 0 EHADRM CSc1ccc(C(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)o1 ZINC000263403352 1029694642 /nfs/dbraw/zinc/69/46/42/1029694642.db2.gz JUJGEZAIFXWDEQ-ZDUSSCGKSA-N -1 0 339.457 3.935 20 0 EHADRM CC[C@H](C)[C@H](Nc1nn2cc(-c3ccc(F)cc3)nc2s1)C(=O)[O-] ZINC000263403336 1029695011 /nfs/dbraw/zinc/69/50/11/1029695011.db2.gz JTBNVHZPOSKMHY-ZANVPECISA-N -1 0 348.403 3.508 20 0 EHADRM COc1cc(C)c(Br)cc1NC1CCC(C(=O)[O-])CC1 ZINC000263440405 1029697883 /nfs/dbraw/zinc/69/78/83/1029697883.db2.gz WFECXHNMCYPOHT-UHFFFAOYSA-N -1 0 342.233 3.821 20 0 EHADRM O=C([O-])c1cccc(N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000263433497 1029698005 /nfs/dbraw/zinc/69/80/05/1029698005.db2.gz UJQZIFCVCAWLQR-DOMZBBRYSA-N -1 0 336.750 3.514 20 0 EHADRM Cc1ccc(F)cc1NC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263471407 1029702001 /nfs/dbraw/zinc/70/20/01/1029702001.db2.gz HVPJWCPGRLTLAH-INIZCTEOSA-N -1 0 344.386 3.732 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)Nc2c(C(=O)[O-])cccc2C(C)C)c1 ZINC000511240156 1029749752 /nfs/dbraw/zinc/74/97/52/1029749752.db2.gz JPMHDEUYUSPSOK-UHFFFAOYSA-N -1 0 347.436 3.926 20 0 EHADRM CCCc1cnc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)s1 ZINC000446758933 1029791236 /nfs/dbraw/zinc/79/12/36/1029791236.db2.gz DEUKATZLZLAMKP-UHFFFAOYSA-N -1 0 348.852 3.830 20 0 EHADRM COCCC[C@H](CN=c1[n-]nc(C)s1)c1ccc(Cl)cc1 ZINC000343226705 1029819834 /nfs/dbraw/zinc/81/98/34/1029819834.db2.gz SLAPBLJGOAPNHL-CYBMUJFWSA-N -1 0 325.865 3.544 20 0 EHADRM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000531125847 1029868693 /nfs/dbraw/zinc/86/86/93/1029868693.db2.gz AESLMPRSEOXSFY-UHFFFAOYSA-N -1 0 347.436 3.871 20 0 EHADRM CC1(C)CC[C@@H](N=c2[n-]nc(-c3ccon3)s2)c2ccccc21 ZINC000555925590 1029943488 /nfs/dbraw/zinc/94/34/88/1029943488.db2.gz UNECHVFAIKPVPF-CYBMUJFWSA-N -1 0 326.425 3.840 20 0 EHADRM CN1Cc2cccc([N-]S(=O)(=O)c3cccc4ccccc43)c2C1 ZINC000367372817 1030020061 /nfs/dbraw/zinc/02/00/61/1030020061.db2.gz AQBQPKQTGBUQEX-UHFFFAOYSA-N -1 0 338.432 3.586 20 0 EHADRM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(C)C ZINC000058518516 1030043198 /nfs/dbraw/zinc/04/31/98/1030043198.db2.gz LKMNRDMRRAVXRI-UHFFFAOYSA-N -1 0 347.436 3.871 20 0 EHADRM O=S(=O)([N-]c1ccc(C2CCC2)cc1)c1cccc2c1OCCO2 ZINC000447270250 1030058990 /nfs/dbraw/zinc/05/89/90/1030058990.db2.gz JCLFBXFORLWSOB-UHFFFAOYSA-N -1 0 345.420 3.526 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2F)cc1 ZINC000074936798 1030064976 /nfs/dbraw/zinc/06/49/76/1030064976.db2.gz USTPWZJQVHLLOO-UHFFFAOYSA-N -1 0 329.780 3.679 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2nc3cc(F)c(C)cc3s2)c1 ZINC000481872307 1030081232 /nfs/dbraw/zinc/08/12/32/1030081232.db2.gz IZEIDLJWVDEURI-UHFFFAOYSA-N -1 0 336.413 3.853 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N3CCCC[C@@H]3C)s2)c1 ZINC000481968081 1030137797 /nfs/dbraw/zinc/13/77/97/1030137797.db2.gz UHIMKNJCCYCXCK-ZDUSSCGKSA-N -1 0 330.457 3.650 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2C[C@H](C)C[C@H](C)[C@H]2C)n1 ZINC000476549937 1030177763 /nfs/dbraw/zinc/17/77/63/1030177763.db2.gz VBWMKWCVXNVHMX-MBNYWOFBSA-N -1 0 345.418 3.532 20 0 EHADRM O=C(Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(-c2ccccc2F)o1 ZINC000121094715 1030180841 /nfs/dbraw/zinc/18/08/41/1030180841.db2.gz CXQYUBWRTIRTEE-UHFFFAOYSA-N -1 0 349.325 3.518 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCC(=O)c2cccn21 ZINC000447539442 1030272806 /nfs/dbraw/zinc/27/28/06/1030272806.db2.gz ALFDKSUWQAWOOL-GFCCVEGCSA-N -1 0 339.178 3.657 20 0 EHADRM O=S(=O)(CCc1ccccc1)[N-]c1ncc(-c2ccccc2)s1 ZINC000532065651 1030329051 /nfs/dbraw/zinc/32/90/51/1030329051.db2.gz BNEGIMUMVUNHMH-UHFFFAOYSA-N -1 0 344.461 3.795 20 0 EHADRM CSc1ccc(C)c(NC(=O)c2nn(-c3ccccc3)cc2[O-])c1 ZINC000343335520 1030358539 /nfs/dbraw/zinc/35/85/39/1030358539.db2.gz KHKNEIGUWNAXKR-UHFFFAOYSA-N -1 0 339.420 3.861 20 0 EHADRM COc1ncc(Br)cc1Nc1ccc(C)c(C(=O)[O-])c1 ZINC001211594537 1030489098 /nfs/dbraw/zinc/48/90/98/1030489098.db2.gz YGXIXZRHEMHWAK-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2cccs2)ccc1C(F)(F)F ZINC000447788935 1030490385 /nfs/dbraw/zinc/49/03/85/1030490385.db2.gz RWLXSFSMYKYMOO-UHFFFAOYSA-N -1 0 337.344 3.576 20 0 EHADRM O=C(N=c1[n-]nc(CC(F)(F)F)s1)c1cc2sccc2s1 ZINC000532244832 1030509717 /nfs/dbraw/zinc/50/97/17/1030509717.db2.gz OFVPKMKPSUHLQD-UHFFFAOYSA-N -1 0 349.384 3.593 20 0 EHADRM CCCC[C@H](CC)C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000447892174 1030571310 /nfs/dbraw/zinc/57/13/10/1030571310.db2.gz GHMUHSXSSACCHV-AWEZNQCLSA-N -1 0 341.398 3.985 20 0 EHADRM CCSc1n[n-]c(=NCc2ccccc2OC(F)(F)F)s1 ZINC000447949389 1030599105 /nfs/dbraw/zinc/59/91/05/1030599105.db2.gz XNJLXZGESBBNME-UHFFFAOYSA-N -1 0 335.376 3.583 20 0 EHADRM CC(C)(C)c1cnc(CN=c2[n-]nc(CC3CCCCC3)o2)s1 ZINC000447951534 1030604046 /nfs/dbraw/zinc/60/40/46/1030604046.db2.gz BXHHVLSBBJMANR-UHFFFAOYSA-N -1 0 334.489 3.980 20 0 EHADRM CCSc1n[n-]c(=NCc2cccc(OC(F)(F)F)c2)s1 ZINC000447952788 1030621522 /nfs/dbraw/zinc/62/15/22/1030621522.db2.gz JAVIQTKPIULWCO-UHFFFAOYSA-N -1 0 335.376 3.583 20 0 EHADRM CCSc1n[n-]c(=NCc2cnc(-c3ccc(C)o3)s2)s1 ZINC000447960397 1030630892 /nfs/dbraw/zinc/63/08/92/1030630892.db2.gz YTSOIAROCIWVSJ-UHFFFAOYSA-N -1 0 338.483 3.709 20 0 EHADRM C[C@@H]1CCC[C@H](N(C)C(=O)N=c2nc(-c3ccsc3)[n-]s2)C1 ZINC000447999722 1030650866 /nfs/dbraw/zinc/65/08/66/1030650866.db2.gz KXRYRTGVMOTGRW-PWSUYJOCSA-N -1 0 336.486 3.731 20 0 EHADRM O=C([O-])Cc1cc(Cl)ccc1-c1ccc(O[C@@H]2CCOC2)cc1 ZINC000583763584 1030673037 /nfs/dbraw/zinc/67/30/37/1030673037.db2.gz DEAWSJRORGNDBR-MRXNPFEDSA-N -1 0 332.783 3.802 20 0 EHADRM C[C@@H](NC(=O)N=c1ccc(C2CC2)n[n-]1)c1cccc2ccccc21 ZINC000448144194 1030749497 /nfs/dbraw/zinc/74/94/97/1030749497.db2.gz AWIQEWRNTHNPKR-CYBMUJFWSA-N -1 0 332.407 3.812 20 0 EHADRM CN(C(=O)c1cccc(Br)c1[O-])[C@@H]1CCC(C)(C)C1 ZINC000527274030 1030759291 /nfs/dbraw/zinc/75/92/91/1030759291.db2.gz PSVJCLJMHDERAU-SNVBAGLBSA-N -1 0 326.234 3.805 20 0 EHADRM CO[C@H](C)c1nsc(=NCCCCc2ccc(Cl)s2)[n-]1 ZINC000583803688 1030787432 /nfs/dbraw/zinc/78/74/32/1030787432.db2.gz KPAVYEWSNNNTRA-SECBINFHSA-N -1 0 331.894 3.817 20 0 EHADRM CSc1nc(=NC(=O)NC2CCC(c3ccccc3)CC2)s[n-]1 ZINC000476666364 1030803540 /nfs/dbraw/zinc/80/35/40/1030803540.db2.gz VGQDEMQXBGSBDZ-UHFFFAOYSA-N -1 0 348.497 3.530 20 0 EHADRM O=C([O-])C[C@H](CNC(=O)N(c1ccccc1)c1ccccc1)C(F)F ZINC000685208807 1030805863 /nfs/dbraw/zinc/80/58/63/1030805863.db2.gz HFJWKYVKDSRJQP-CYBMUJFWSA-N -1 0 348.349 3.890 20 0 EHADRM COc1cccc(-n2ncc(C)c2Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC001211599687 1030867905 /nfs/dbraw/zinc/86/79/05/1030867905.db2.gz UCCKCNBIDUQAMA-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM Cc1ccc(C(=O)N=c2ccc(-c3ccccc3)n[n-]2)c(F)c1Cl ZINC000448255802 1030875650 /nfs/dbraw/zinc/87/56/50/1030875650.db2.gz LTNDULBJRQXGPJ-UHFFFAOYSA-N -1 0 341.773 3.919 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)NCC2CC(c3ccccc3)C2)cc1 ZINC000262776839 1030901001 /nfs/dbraw/zinc/90/10/01/1030901001.db2.gz ASOKHLCPPRWKTM-UHFFFAOYSA-N -1 0 337.419 3.627 20 0 EHADRM CC[C@@](CNC(=O)CCCc1cccs1)(C(=O)[O-])c1ccccc1 ZINC000262879190 1030939892 /nfs/dbraw/zinc/93/98/92/1030939892.db2.gz ATZGBXIWHIQEHK-IBGZPJMESA-N -1 0 345.464 3.620 20 0 EHADRM C[C@H](NC(=O)N=c1ccc(C2CC2)n[n-]1)c1cc2ccccc2s1 ZINC000527497165 1030949225 /nfs/dbraw/zinc/94/92/25/1030949225.db2.gz PBBSDNVSTKVPBB-NSHDSACASA-N -1 0 338.436 3.873 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000448353861 1030978195 /nfs/dbraw/zinc/97/81/95/1030978195.db2.gz ZZSBVBMAEFAFLE-HFTRVMKXSA-N -1 0 336.439 3.750 20 0 EHADRM CCCc1nc(=NC(=O)N(C)[C@@H](CC)Cc2ccc(C)cc2)s[n-]1 ZINC000583864423 1030979039 /nfs/dbraw/zinc/97/90/39/1030979039.db2.gz KOSKVFFUQSXYRW-HNNXBMFYSA-N -1 0 346.500 3.706 20 0 EHADRM C[C@H]1CN(C(=O)CC2CCC(c3ccccc3)CC2)CC[C@@H]1C(=O)[O-] ZINC000262887390 1031010879 /nfs/dbraw/zinc/01/08/79/1031010879.db2.gz HFXTYAXOAPRTGP-GSHBMFQSSA-N -1 0 343.467 3.920 20 0 EHADRM O=C([O-])[C@@]1(CC(=O)Nc2cccc(Cl)c2Cl)CCSC1 ZINC000146875078 1031067946 /nfs/dbraw/zinc/06/79/46/1031067946.db2.gz ZXBANIRBBNAHMJ-CYBMUJFWSA-N -1 0 334.224 3.530 20 0 EHADRM CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000783873525 1031071449 /nfs/dbraw/zinc/07/14/49/1031071449.db2.gz JAQDRDKIDOXNCK-UHFFFAOYSA-N -1 0 327.402 3.507 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2nc(C(F)(F)F)c[nH]2)cc1 ZINC000551171218 1031073926 /nfs/dbraw/zinc/07/39/26/1031073926.db2.gz FQQZEGDWBDQMKP-VIFPVBQESA-N -1 0 347.362 3.743 20 0 EHADRM COCc1n[n-]c(=N[C@@H](c2ccccc2)c2cccc(Cl)c2)s1 ZINC000477015547 1031177030 /nfs/dbraw/zinc/17/70/30/1031177030.db2.gz HGFAFTVZYKASDH-INIZCTEOSA-N -1 0 345.855 3.961 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2noc3cc(Cl)ccc32)sc1C ZINC000583957491 1031214783 /nfs/dbraw/zinc/21/47/83/1031214783.db2.gz BEXLYTSBIPXISC-UHFFFAOYSA-N -1 0 342.829 3.960 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)[C@@H]1CCOc2ccccc21 ZINC000158393313 1031306385 /nfs/dbraw/zinc/30/63/85/1031306385.db2.gz OEDCIGSVZYPZGE-GFCCVEGCSA-N -1 0 326.377 3.621 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc([C@@H]2CCCOC2)cc1 ZINC000668272385 1031372283 /nfs/dbraw/zinc/37/22/83/1031372283.db2.gz COBVCGYXFDGOOQ-QGZVFWFLSA-N -1 0 339.391 3.840 20 0 EHADRM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000551474631 1031374750 /nfs/dbraw/zinc/37/47/50/1031374750.db2.gz CMKBDRNDPXGWTH-SNVBAGLBSA-N -1 0 343.807 3.987 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)CC3CCC(C(=O)[O-])CC3)C2)cc1 ZINC000668300666 1031421597 /nfs/dbraw/zinc/42/15/97/1031421597.db2.gz SGLZVYCCWPTWAP-NHFHULPWSA-N -1 0 343.467 3.981 20 0 EHADRM CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1cc(C(=O)[O-])oc1C ZINC000668298701 1031423634 /nfs/dbraw/zinc/42/36/34/1031423634.db2.gz IAUZIUDNEVYOLF-OAHLLOKOSA-N -1 0 331.368 3.518 20 0 EHADRM CC(C)(C(=O)[O-])C(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000668299625 1031427141 /nfs/dbraw/zinc/42/71/41/1031427141.db2.gz NBVZQSXGZROPTL-LBPRGKRZSA-N -1 0 343.345 3.522 20 0 EHADRM O=S(=O)([N-]c1csc2ccccc12)c1cc(F)ccc1F ZINC000484032303 1031428221 /nfs/dbraw/zinc/42/82/21/1031428221.db2.gz HYHGLMQNRQBPFZ-UHFFFAOYSA-N -1 0 325.361 3.980 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000484147818 1031468427 /nfs/dbraw/zinc/46/84/27/1031468427.db2.gz RGAARQQOZOZETA-UHFFFAOYSA-N -1 0 335.285 3.533 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)N=c2ccc(C(F)(F)F)n[n-]2)cc1 ZINC000484156212 1031479224 /nfs/dbraw/zinc/47/92/24/1031479224.db2.gz GMQPJZMZGQLOCA-NSHDSACASA-N -1 0 337.345 3.612 20 0 EHADRM CC(C)CCn1ccc(NC(=O)c2cc(F)c([O-])c(Cl)c2)n1 ZINC000194862056 1031573883 /nfs/dbraw/zinc/57/38/83/1031573883.db2.gz WHNSBZWXDFLDRN-UHFFFAOYSA-N -1 0 325.771 3.680 20 0 EHADRM CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000484454366 1031590851 /nfs/dbraw/zinc/59/08/51/1031590851.db2.gz FWFADOXVSOXQKP-UHFFFAOYSA-N -1 0 341.864 3.836 20 0 EHADRM COC(=O)c1ccc(CNc2ccccc2CCCC(=O)[O-])c(F)c1 ZINC000904015165 1031601262 /nfs/dbraw/zinc/60/12/62/1031601262.db2.gz HJQBCIIHVSDYDZ-UHFFFAOYSA-N -1 0 345.370 3.632 20 0 EHADRM COc1ccc(CNc2ccc(C[C@@H](C)C(=O)[O-])cc2)c(F)c1OC ZINC000904015529 1031603139 /nfs/dbraw/zinc/60/31/39/1031603139.db2.gz QWMZWKRBUBXVFF-GFCCVEGCSA-N -1 0 347.386 3.718 20 0 EHADRM COc1ccc([C@H](CCC(=O)[O-])NCc2nc3ccccc3o2)cc1 ZINC000904004560 1031621750 /nfs/dbraw/zinc/62/17/50/1031621750.db2.gz CZWJUOIYGDIIKR-HNNXBMFYSA-N -1 0 340.379 3.532 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2cccc3ccccc32)cc1 ZINC000084460520 1031629863 /nfs/dbraw/zinc/62/98/63/1031629863.db2.gz STKPHQPUNIBYAL-UHFFFAOYSA-N -1 0 325.389 3.843 20 0 EHADRM O=S(=O)([N-]c1cccc(Cl)c1O)c1cccc2ccccc21 ZINC000084460946 1031630377 /nfs/dbraw/zinc/63/03/77/1031630377.db2.gz AJJQKCRKLJVCDD-UHFFFAOYSA-N -1 0 333.796 4.000 20 0 EHADRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000475729965 1031640395 /nfs/dbraw/zinc/64/03/95/1031640395.db2.gz ISENCDGXZAYSEX-UHFFFAOYSA-N -1 0 345.342 3.612 20 0 EHADRM O=C([O-])C[C@H]([NH2+]Cc1cnc(C2CCC2)s1)c1ccccc1F ZINC000904045127 1031664618 /nfs/dbraw/zinc/66/46/18/1031664618.db2.gz HICQCVSSRPTUKA-HNNXBMFYSA-N -1 0 334.416 3.855 20 0 EHADRM COCc1c(C)cc(C)c(C[NH2+][C@@H](C)c2nc(C(=O)[O-])cs2)c1C ZINC000904024694 1031667320 /nfs/dbraw/zinc/66/73/20/1031667320.db2.gz VGFMROCXUFGPCY-ZDUSSCGKSA-N -1 0 348.468 3.764 20 0 EHADRM CC(C)Sc1cccc(Cl)c1CNCc1cc(C(=O)[O-])no1 ZINC000904054440 1031676687 /nfs/dbraw/zinc/67/66/87/1031676687.db2.gz UIGATLPCZUYPGB-UHFFFAOYSA-N -1 0 340.832 3.817 20 0 EHADRM CC[C@@H](NCc1cccc(OC(C)(C)C)c1)c1nc(C(=O)[O-])c[nH]1 ZINC000904063746 1031689446 /nfs/dbraw/zinc/68/94/46/1031689446.db2.gz CKPMGPZDQJGLHS-CQSZACIVSA-N -1 0 331.416 3.526 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(CN[C@@H](COCC(C)C)C(=O)[O-])o1 ZINC000904067234 1031692175 /nfs/dbraw/zinc/69/21/75/1031692175.db2.gz WCUZYRQPKFPGKK-KRWDZBQOSA-N -1 0 349.402 3.610 20 0 EHADRM CC(C)(CC(=O)Nc1ccc(Br)c(Cl)c1)C(=O)[O-] ZINC000178724070 1031698577 /nfs/dbraw/zinc/69/85/77/1031698577.db2.gz HPDQXIIXGRHIGW-UHFFFAOYSA-N -1 0 334.597 3.542 20 0 EHADRM O=C(Nc1c[nH]nc1-c1ccccc1)c1ccc2[n-]c(=S)oc2c1 ZINC000178698548 1031715056 /nfs/dbraw/zinc/71/50/56/1031715056.db2.gz SYEBUIRCZHXJGF-UHFFFAOYSA-N -1 0 336.376 3.759 20 0 EHADRM O=C([O-])N[C@H]1C[C@@H](Nc2cccc(-c3nccs3)c2)C12CCC2 ZINC000904189267 1031834487 /nfs/dbraw/zinc/83/44/87/1031834487.db2.gz HIARYPOLVTZVDG-KGLIPLIRSA-N -1 0 329.425 3.801 20 0 EHADRM Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000180353349 1031844342 /nfs/dbraw/zinc/84/43/42/1031844342.db2.gz BZFUEKFZYWLCGI-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM Cc1coc(-c2ccc(C)c(N[C@@H]3C[C@H](NC(=O)[O-])C34CCC4)c2)n1 ZINC000904199459 1031845353 /nfs/dbraw/zinc/84/53/53/1031845353.db2.gz KIUQKTRLOAIDSS-CVEARBPZSA-N -1 0 341.411 3.949 20 0 EHADRM CC1CCN(c2ccc(N[C@@H]3C[C@H](NC(=O)[O-])C34CCC4)cc2)CC1 ZINC000904199590 1031846197 /nfs/dbraw/zinc/84/61/97/1031846197.db2.gz LALMQLZXSHNMHW-MSOLQXFVSA-N -1 0 343.471 3.914 20 0 EHADRM Cc1nc(-c2cccc(N[C@@H]3C[C@@H](NC(=O)[O-])C34CCC4)c2)oc1C ZINC000904199344 1031846445 /nfs/dbraw/zinc/84/64/45/1031846445.db2.gz HTORQMAAJLWBRT-HZPDHXFCSA-N -1 0 341.411 3.949 20 0 EHADRM O=C([O-])N[C@@H]1C[C@@H](Nc2ccc(-n3cccn3)c(Cl)c2)C12CCC2 ZINC000904200928 1031847593 /nfs/dbraw/zinc/84/75/93/1031847593.db2.gz VUGANBVTBKTCNS-HUUCEWRRSA-N -1 0 346.818 3.516 20 0 EHADRM Cc1c(F)cccc1NCc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904199783 1031848341 /nfs/dbraw/zinc/84/83/41/1031848341.db2.gz MLXREBXWOAWLFJ-UHFFFAOYSA-N -1 0 332.375 3.640 20 0 EHADRM CCc1c([N-]S(=O)(=O)c2cc(C)ccc2C)onc1C(F)(F)F ZINC000460572365 1031858153 /nfs/dbraw/zinc/85/81/53/1031858153.db2.gz JEWQRYMGTLMGQB-UHFFFAOYSA-N -1 0 348.346 3.673 20 0 EHADRM Cc1c(N[C@@H]2C[C@@H](NC(=O)[O-])C23CCC3)cccc1-c1ncco1 ZINC000904242229 1031887045 /nfs/dbraw/zinc/88/70/45/1031887045.db2.gz HJDTYRWIGDBBAX-HUUCEWRRSA-N -1 0 327.384 3.641 20 0 EHADRM O=C(NC[C@@H]1OCCc2ccccc21)c1ccc2ccccc2c1O ZINC000603131930 1033376377 /nfs/dbraw/zinc/37/63/77/1033376377.db2.gz RQLPESGEBCWBDJ-IBGZPJMESA-N -1 0 333.387 3.589 20 0 EHADRM COc1ccc(CCc2n[n-]c(=NCc3ccc(C)c(C)c3)o2)cc1 ZINC000537491125 1033378165 /nfs/dbraw/zinc/37/81/65/1033378165.db2.gz KTDJZYDBUYMLSZ-UHFFFAOYSA-N -1 0 337.423 3.514 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1cccc(C(=O)NCC(C)C)c1 ZINC001211624708 1033399627 /nfs/dbraw/zinc/39/96/27/1033399627.db2.gz RKTASRYKCAOGBL-UHFFFAOYSA-N -1 0 326.396 3.823 20 0 EHADRM Cc1cccc(S(=O)(=O)Nc2c(C(=O)[O-])cccc2C(C)C)c1 ZINC000511295807 1033442090 /nfs/dbraw/zinc/44/20/90/1033442090.db2.gz LTTDAPJDDFALPU-UHFFFAOYSA-N -1 0 333.409 3.617 20 0 EHADRM CCC(CC)c1n[n-]c(=NCc2nc3ccccc3n2CC)s1 ZINC000537506689 1033534086 /nfs/dbraw/zinc/53/40/86/1033534086.db2.gz AKUYEAUCLQNGEE-UHFFFAOYSA-N -1 0 329.473 3.845 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N2CCC(C3CCCC3)CC2)s1 ZINC000608263869 1033558688 /nfs/dbraw/zinc/55/86/88/1033558688.db2.gz PUJBFENGSNPYGP-UHFFFAOYSA-N -1 0 336.505 3.593 20 0 EHADRM CC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000046709041 1033562079 /nfs/dbraw/zinc/56/20/79/1033562079.db2.gz ZYLAXHYQBNIFNB-UHFFFAOYSA-N -1 0 334.235 3.531 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1cc(N)ccc1OC(F)(F)F ZINC001211626604 1033594640 /nfs/dbraw/zinc/59/46/40/1033594640.db2.gz NMVQZSCAKNXEHJ-UHFFFAOYSA-N -1 0 326.274 3.918 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000608340042 1033620688 /nfs/dbraw/zinc/62/06/88/1033620688.db2.gz GOMRZQHAKHGBBX-IKGGRYGDSA-N -1 0 347.842 3.964 20 0 EHADRM CC(C)CCN(C)C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000608351659 1033627464 /nfs/dbraw/zinc/62/74/64/1033627464.db2.gz LQUSFMRBKXWCNG-UHFFFAOYSA-N -1 0 329.444 3.819 20 0 EHADRM C[C@@H]1C[C@@H]1[C@H](NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000608340530 1033645774 /nfs/dbraw/zinc/64/57/74/1033645774.db2.gz NLABMLSVZZJCLP-GNXUOLQESA-N -1 0 347.842 3.820 20 0 EHADRM C[C@](CC(=O)N1CCC[C@@H]1c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000326673107 1033731847 /nfs/dbraw/zinc/73/18/47/1033731847.db2.gz KDSRRIVVJLWDDZ-WIYYLYMNSA-N -1 0 337.419 3.783 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000108066477 1033751894 /nfs/dbraw/zinc/75/18/94/1033751894.db2.gz ASPKKBZJPAHRIQ-LFPIHBKWSA-N -1 0 347.455 3.934 20 0 EHADRM O=S(=O)(NCc1cccc(F)c1)c1c(Cl)cccc1Cl ZINC000046814244 1033854889 /nfs/dbraw/zinc/85/48/89/1033854889.db2.gz XDEWPIHGGHRMRJ-UHFFFAOYSA-N -1 0 334.199 3.611 20 0 EHADRM O=S(=O)(Nc1ncccc1F)c1ccc2c(c1)Cc1ccccc1-2 ZINC000537593222 1033855151 /nfs/dbraw/zinc/85/51/51/1033855151.db2.gz SVMRPOCYTOXWQU-UHFFFAOYSA-N -1 0 340.379 3.593 20 0 EHADRM CO[C@H](C)c1nc(=Nc2cccc(N3CCC(C)CC3)c2)s[n-]1 ZINC000575130209 1033868618 /nfs/dbraw/zinc/86/86/18/1033868618.db2.gz OCGAMPRDIUUFIV-CYBMUJFWSA-N -1 0 332.473 3.647 20 0 EHADRM c1ccc(-c2n[n-]c(=N[C@@H](c3ccccc3)[C@@H]3CCCO3)s2)cc1 ZINC000603704417 1033869982 /nfs/dbraw/zinc/86/99/82/1033869982.db2.gz BTNPDWMSERFKLN-IRXDYDNUSA-N -1 0 337.448 3.959 20 0 EHADRM O=C([O-])c1ccc(O)c(-c2ccc(OC[C@@H]3CCCCO3)cc2)c1 ZINC000575196261 1033887691 /nfs/dbraw/zinc/88/76/91/1033887691.db2.gz HKEIHJVNYVGUMF-INIZCTEOSA-N -1 0 328.364 3.705 20 0 EHADRM CCc1n[n-]c(=NC(=O)N2CCC[C@@H]2[C@H](CC)c2ccccc2)s1 ZINC000476491705 1033956316 /nfs/dbraw/zinc/95/63/16/1033956316.db2.gz RGOVBEGYXBFZQH-HUUCEWRRSA-N -1 0 344.484 3.713 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(C)cc2C)[nH]nc1-c1ccccc1 ZINC000534065155 1034096580 /nfs/dbraw/zinc/09/65/80/1034096580.db2.gz XXIDCLVARUQIHK-UHFFFAOYSA-N -1 0 341.436 3.803 20 0 EHADRM CCCCOc1ccc(/C=C\c2cc(C(=O)[O-])ncn2)cc1OC ZINC000534145836 1034164280 /nfs/dbraw/zinc/16/42/80/1034164280.db2.gz WCLMGCHKKKXWNN-ALCCZGGFSA-N -1 0 328.368 3.533 20 0 EHADRM COc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc([O-])c(Cl)c1 ZINC000057558037 1034191471 /nfs/dbraw/zinc/19/14/71/1034191471.db2.gz OGDAAMQARBHPSQ-HNNXBMFYSA-N -1 0 345.826 3.902 20 0 EHADRM CCCCN(C(=O)c1cc(F)c([O-])c(F)c1)[C@@H]1CCCC[C@H]1OC ZINC000456202630 1034220365 /nfs/dbraw/zinc/22/03/65/1034220365.db2.gz XMHTZYYOTJVUCT-HZPDHXFCSA-N -1 0 341.398 3.870 20 0 EHADRM COc1cc(-c2noc(-c3ccccc3O)n2)cc(Cl)c1OC ZINC000389922941 1034238927 /nfs/dbraw/zinc/23/89/27/1034238927.db2.gz GOXXYURJALCXIF-UHFFFAOYSA-N -1 0 332.743 3.780 20 0 EHADRM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cccc2c1OCO2 ZINC000548868012 1034248722 /nfs/dbraw/zinc/24/87/22/1034248722.db2.gz GJNLYQGLQOJTNJ-UHFFFAOYSA-N -1 0 333.409 3.648 20 0 EHADRM Cc1cc(=NC(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)[n-]nc1C ZINC000604233838 1034287563 /nfs/dbraw/zinc/28/75/63/1034287563.db2.gz WTACMSMSVMKQQP-SNVBAGLBSA-N -1 0 338.238 3.639 20 0 EHADRM Cc1cc(=NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)[n-]nc1C ZINC000604233255 1034288753 /nfs/dbraw/zinc/28/87/53/1034288753.db2.gz IHPNQADHHSDTGF-VXGBXAGGSA-N -1 0 336.222 3.564 20 0 EHADRM O=S(=O)([N-]c1scnc1C1CC1)c1cccc(Cl)c1F ZINC000534235603 1034306764 /nfs/dbraw/zinc/30/67/64/1034306764.db2.gz OHHVLDPBXZVUBS-UHFFFAOYSA-N -1 0 332.809 3.614 20 0 EHADRM CC[C@H](C)N(C)C(=O)CCn1c(-c2ccc(C)cc2)n[nH]c1=S ZINC000171484610 1034409709 /nfs/dbraw/zinc/40/97/09/1034409709.db2.gz JZXJMZWNHRULJG-ZDUSSCGKSA-N -1 0 332.473 3.563 20 0 EHADRM CC1(c2nc(=NC(=O)c3cc(Cl)c(F)cc3Cl)s[n-]2)CC1 ZINC000529699165 1034447418 /nfs/dbraw/zinc/44/74/18/1034447418.db2.gz ZQJGSNCOWJOELV-UHFFFAOYSA-N -1 0 346.214 3.710 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000450533273 1034467583 /nfs/dbraw/zinc/46/75/83/1034467583.db2.gz SVTBJLGTZCWDIM-VDHUWJSZSA-N -1 0 329.440 3.672 20 0 EHADRM COc1cccc([C@H]2CN(C(=O)c3ccc(F)cc3[O-])CC2(C)C)c1 ZINC000529728853 1034498310 /nfs/dbraw/zinc/49/83/10/1034498310.db2.gz QGWBEDXPKZCYMW-QGZVFWFLSA-N -1 0 343.398 3.806 20 0 EHADRM CC(C)c1n[n-]c(=N[C@@H](C)c2ccc(F)c(Br)c2)o1 ZINC000450544163 1034502133 /nfs/dbraw/zinc/50/21/33/1034502133.db2.gz MVBYRGFCRVBTKQ-QMMMGPOBSA-N -1 0 328.185 3.690 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-] ZINC000597027259 1034503798 /nfs/dbraw/zinc/50/37/98/1034503798.db2.gz XFRUPJIXQDRZDG-MNOVXSKESA-N -1 0 339.457 3.526 20 0 EHADRM CCN(Cc1ccccc1C)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000604801367 1034507897 /nfs/dbraw/zinc/50/78/97/1034507897.db2.gz FNTQXQKAXCPYDA-UHFFFAOYSA-N -1 0 332.473 3.620 20 0 EHADRM O=C([O-])c1cccnc1N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000647455068 1034588168 /nfs/dbraw/zinc/58/81/68/1034588168.db2.gz LKDNOKKHDOEWBB-UHFFFAOYSA-N -1 0 339.370 3.784 20 0 EHADRM CC1(C(=O)[O-])CCN(c2nccc3cc(Br)ccc32)CC1 ZINC000647457487 1034592826 /nfs/dbraw/zinc/59/28/26/1034592826.db2.gz JYXIPCCIIMYTRZ-UHFFFAOYSA-N -1 0 349.228 3.688 20 0 EHADRM O=C([N-]OCc1ccccc1)C1(c2ccccc2Cl)CCOCC1 ZINC000171734654 1034609234 /nfs/dbraw/zinc/60/92/34/1034609234.db2.gz NSJORNRPWGRVRW-UHFFFAOYSA-N -1 0 345.826 3.636 20 0 EHADRM C[C@H](Sc1n[n-]c(=NCCc2ccccc2)s1)c1ccncc1 ZINC000605076864 1034617748 /nfs/dbraw/zinc/61/77/48/1034617748.db2.gz JRFKLSZSKCLTNV-ZDUSSCGKSA-N -1 0 342.493 3.863 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000390439052 1034698655 /nfs/dbraw/zinc/69/86/55/1034698655.db2.gz WVPYRDGWGATCFY-LLVKDONJSA-N -1 0 335.787 3.722 20 0 EHADRM COc1cc(OC)c(NCc2cc(C(=O)[O-])c(C)o2)cc1Cl ZINC000318338704 1034739036 /nfs/dbraw/zinc/73/90/36/1034739036.db2.gz VTKUEMSMNJCEFB-UHFFFAOYSA-N -1 0 325.748 3.569 20 0 EHADRM O=C([O-])[C@H](CNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)Cc1ccccc1 ZINC000431646221 1034771919 /nfs/dbraw/zinc/77/19/19/1034771919.db2.gz VLZARGSKJUVZPU-MKXGPGLRSA-N -1 0 343.467 3.653 20 0 EHADRM Cc1[nH]c2ccc(CNC(=O)CC3(C(=O)[O-])CCCCC3)cc2c1C ZINC000569876305 1034833691 /nfs/dbraw/zinc/83/36/91/1034833691.db2.gz LEHHYKIMHMQLSJ-UHFFFAOYSA-N -1 0 342.439 3.826 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1cccc(Nc2ncccn2)c1 ZINC000605877600 1034843825 /nfs/dbraw/zinc/84/38/25/1034843825.db2.gz IUUYSMTXYNIZJA-UHFFFAOYSA-N -1 0 340.770 3.832 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)Nc1ccc(OC2CCCC2)cc1)C(=O)[O-] ZINC000601982496 1034847212 /nfs/dbraw/zinc/84/72/12/1034847212.db2.gz BXVUPDAVGQBYIT-NWDGAFQWSA-N -1 0 337.441 3.541 20 0 EHADRM Cc1cccc(C(C)(C)NC(=O)N=c2nc(C(C)(C)C)[n-]s2)c1 ZINC000605921135 1034847311 /nfs/dbraw/zinc/84/73/11/1034847311.db2.gz VVUPQEMJLHRAPV-UHFFFAOYSA-N -1 0 332.473 3.623 20 0 EHADRM CCCOc1ccc(NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-])cc1Cl ZINC000601985980 1034848682 /nfs/dbraw/zinc/84/86/82/1034848682.db2.gz NBGKIHRHNBIYCN-NXEZZACHSA-N -1 0 345.848 3.662 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-] ZINC000601987756 1034849555 /nfs/dbraw/zinc/84/95/55/1034849555.db2.gz SKHUEVNCMTUURV-ZJUUUORDSA-N -1 0 345.848 3.662 20 0 EHADRM CC1(C)CC(=O)c2cc(NC(=O)c3cc(F)c([O-])c(F)c3)ccc2O1 ZINC000375944789 1034984028 /nfs/dbraw/zinc/98/40/28/1034984028.db2.gz ISZUGFUOARGYFS-UHFFFAOYSA-N -1 0 347.317 3.667 20 0 EHADRM CC(C)c1n[n-]c(=N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)o1 ZINC000570037278 1034999985 /nfs/dbraw/zinc/99/99/85/1034999985.db2.gz JPXZMDXTBOJGTD-SNVBAGLBSA-N -1 0 341.242 3.613 20 0 EHADRM COc1ccccc1[C@@H](CN=c1[n-]nc(C(C)(C)C)s1)OC(C)C ZINC000472477844 1035327846 /nfs/dbraw/zinc/32/78/46/1035327846.db2.gz NPYYTLVFFICGDU-OAHLLOKOSA-N -1 0 349.500 3.844 20 0 EHADRM CCC(CC)(CC(=O)NCc1ccc(C(C)(F)F)cc1)C(=O)[O-] ZINC000414074439 1035444242 /nfs/dbraw/zinc/44/42/42/1035444242.db2.gz GTLDCFVBTFPYRB-UHFFFAOYSA-N -1 0 327.371 3.696 20 0 EHADRM CCC(CC)(CC(=O)Nc1cc(OC)c(Cl)c(OC)c1)C(=O)[O-] ZINC000414097386 1035492602 /nfs/dbraw/zinc/49/26/02/1035492602.db2.gz IXXZVDWJTUGIQZ-UHFFFAOYSA-N -1 0 343.807 3.577 20 0 EHADRM O=C(N=c1ncn(Cc2ccccc2)[n-]1)c1ccc(C2=CCCC2)cc1 ZINC000571451946 1035497965 /nfs/dbraw/zinc/49/79/65/1035497965.db2.gz KQPIOIRBGQHADN-UHFFFAOYSA-N -1 0 344.418 3.568 20 0 EHADRM O=S(=O)(C=C([O-])c1ccc(F)cc1)c1cccc(C(F)(F)F)c1 ZINC000172358575 1035501302 /nfs/dbraw/zinc/50/13/02/1035501302.db2.gz NDTUWAIVFAIGJS-UHFFFAOYSA-N -1 0 346.301 3.501 20 0 EHADRM COc1cccc([C@H]2C[C@H](N(C)C(=O)c3cc(F)c([O-])c(F)c3)C2)c1 ZINC000456916881 1035530977 /nfs/dbraw/zinc/53/09/77/1035530977.db2.gz BBKHYEMRILRDAQ-MQMHXKEQSA-N -1 0 347.361 3.697 20 0 EHADRM C[C@@H](CCCc1cccnc1)NC(=O)CC1(CC(=O)[O-])CCCCC1 ZINC000414111408 1035551928 /nfs/dbraw/zinc/55/19/28/1035551928.db2.gz XALKLLJSQDOPGS-INIZCTEOSA-N -1 0 346.471 3.724 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])Cc1nnc(C(C)C)s1 ZINC000571583006 1035556707 /nfs/dbraw/zinc/55/67/07/1035556707.db2.gz PRHDNCGJKITFNW-AWEZNQCLSA-N -1 0 333.457 3.699 20 0 EHADRM C[C@H](CNC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1)CC(F)(F)F ZINC000414113492 1035575123 /nfs/dbraw/zinc/57/51/23/1035575123.db2.gz YUBDUBKYWKWTBR-XHDPSFHLSA-N -1 0 337.382 3.752 20 0 EHADRM COc1ccc(CN=c2[n-]nc(Cc3ccc(Cl)cc3)o2)cc1C ZINC000540706450 1035584877 /nfs/dbraw/zinc/58/48/77/1035584877.db2.gz RKWSNFIVJKCAHH-UHFFFAOYSA-N -1 0 343.814 3.665 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC000431803682 1035610891 /nfs/dbraw/zinc/61/08/91/1035610891.db2.gz CADPEGBPZGOEBD-AWEZNQCLSA-N -1 0 337.419 3.655 20 0 EHADRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C)nc1Cl ZINC000800833965 1035631756 /nfs/dbraw/zinc/63/17/56/1035631756.db2.gz RYEYCNKCNBTHJD-UHFFFAOYSA-N -1 0 340.832 3.551 20 0 EHADRM CCC(CC)c1nnc([N-]S(=O)(=O)c2c(C)cccc2F)s1 ZINC000186435989 1035633944 /nfs/dbraw/zinc/63/39/44/1035633944.db2.gz XYLLQLGVLFWZKG-UHFFFAOYSA-N -1 0 343.449 3.690 20 0 EHADRM CCC[C@@H](CNC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000263092641 1035655047 /nfs/dbraw/zinc/65/50/47/1035655047.db2.gz DUEYTJCUPGQSTJ-YPMHNXCESA-N -1 0 345.361 3.501 20 0 EHADRM O=C(/C=C/c1cscn1)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000492360124 1035700440 /nfs/dbraw/zinc/70/04/40/1035700440.db2.gz RKPCNSXMLPYILE-DUXPYHPUSA-N -1 0 330.390 3.708 20 0 EHADRM CC(=C([O-])c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000321386356 1035715049 /nfs/dbraw/zinc/71/50/49/1035715049.db2.gz HUOICDSTNLPQAI-INIZCTEOSA-N -1 0 330.449 3.965 20 0 EHADRM CCN(CC(C)(C)C)C(=O)N=c1[n-]nc(-c2ccc(OC)cc2)s1 ZINC000463674926 1035731285 /nfs/dbraw/zinc/73/12/85/1035731285.db2.gz MXAPXZTWIBVCCT-UHFFFAOYSA-N -1 0 348.472 3.536 20 0 EHADRM c1ccc(Oc2ccc(CN=c3[n-]c(-c4ccccc4)no3)cn2)cc1 ZINC000588162592 1035732509 /nfs/dbraw/zinc/73/25/09/1035732509.db2.gz IFBFHMMVXHTSOL-UHFFFAOYSA-N -1 0 344.374 3.958 20 0 EHADRM O=C([O-])C[C@H](NC(=O)/C=C\SCc1ccco1)C1CCCCC1 ZINC000492389127 1035736686 /nfs/dbraw/zinc/73/66/86/1035736686.db2.gz XIAGPQFMNMWZPW-WWRUEGTHSA-N -1 0 337.441 3.566 20 0 EHADRM Cn1cnc2cc(/C=C/c3cc(C(=O)[O-])c4ccccc4n3)ccc21 ZINC000534878889 1035736802 /nfs/dbraw/zinc/73/68/02/1035736802.db2.gz HSPRLHVGECRJTE-SOFGYWHQSA-N -1 0 329.359 3.990 20 0 EHADRM Cc1oc(CN(C)Cc2cc(-c3ccc(C)cc3)no2)cc1C(=O)[O-] ZINC000571809936 1035763071 /nfs/dbraw/zinc/76/30/71/1035763071.db2.gz FFPIVRXARXBECX-UHFFFAOYSA-N -1 0 340.379 3.882 20 0 EHADRM CCCc1nc(=NC(=O)N2CCCC[C@@H]2c2ccc(F)cc2)s[n-]1 ZINC000571961419 1035850716 /nfs/dbraw/zinc/85/07/16/1035850716.db2.gz FTXDLTVQLLNMMY-CQSZACIVSA-N -1 0 348.447 3.811 20 0 EHADRM COc1cncc(/C=C\C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC000492489201 1035887923 /nfs/dbraw/zinc/88/79/23/1035887923.db2.gz LISGKJYUTHMVEG-IHWYPQMZSA-N -1 0 339.178 3.755 20 0 EHADRM Cc1cc(-c2ncccc2NC(=O)NC(C)(C)CCC(=O)[O-])cs1 ZINC000263102977 1035899454 /nfs/dbraw/zinc/89/94/54/1035899454.db2.gz UVKYCSUKGOIAGM-UHFFFAOYSA-N -1 0 347.440 3.883 20 0 EHADRM Cc1ccc(-c2ccc(C)c(NC(=O)N(C)C[C@H](C)C(=O)[O-])c2)o1 ZINC000263103068 1035900666 /nfs/dbraw/zinc/90/06/66/1035900666.db2.gz UWZVISSPEIMVJD-LBPRGKRZSA-N -1 0 330.384 3.748 20 0 EHADRM CN(C[C@@H]1CC=CCC1)C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000613447986 1035901960 /nfs/dbraw/zinc/90/19/60/1035901960.db2.gz NBHSGDGRAWFGIH-CYBMUJFWSA-N -1 0 345.830 3.660 20 0 EHADRM COc1ccc([C@H](C)NC(=O)c2c(C)ccc(C)c2C(=O)[O-])cc1F ZINC000327787883 1035929975 /nfs/dbraw/zinc/92/99/75/1035929975.db2.gz RBRHJAVHWBBLJR-LBPRGKRZSA-N -1 0 345.370 3.640 20 0 EHADRM CC[C@@H](NC(=O)c1c(C)ccc(C)c1C(=O)[O-])c1ccc(OC)cc1 ZINC000327788659 1035931053 /nfs/dbraw/zinc/93/10/53/1035931053.db2.gz RIIALJVGSRWVTP-MRXNPFEDSA-N -1 0 341.407 3.891 20 0 EHADRM Cc1ccccc1[C@@H]1CN(C(=O)c2ccc([O-])c(Cl)c2)[C@H](C)CO1 ZINC000174346053 1035938342 /nfs/dbraw/zinc/93/83/42/1035938342.db2.gz FPINPSJPGPZCHH-ACJLOTCBSA-N -1 0 345.826 3.956 20 0 EHADRM Cc1ccccc1[C@H]1CN(C(=O)c2ccc([O-])c(Cl)c2)[C@H](C)CO1 ZINC000174346068 1035938414 /nfs/dbraw/zinc/93/84/14/1035938414.db2.gz FPINPSJPGPZCHH-FZKQIMNGSA-N -1 0 345.826 3.956 20 0 EHADRM O=S(=O)([N-]c1cccc2c1OCO2)c1cc(Cl)cc(Cl)c1 ZINC000541083426 1035969402 /nfs/dbraw/zinc/96/94/02/1035969402.db2.gz NFLFKFJRGMVGFJ-UHFFFAOYSA-N -1 0 346.191 3.523 20 0 EHADRM Cc1cnc([C@H](C)NC(=O)c2c([O-])cc(Cl)cc2Cl)s1 ZINC000175271692 1036296815 /nfs/dbraw/zinc/29/68/15/1036296815.db2.gz JDZJHANAKOKRTG-ZETCQYMHSA-N -1 0 331.224 3.955 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccnn2[C@H](C)CC(C)C)c1 ZINC000589270213 1036335198 /nfs/dbraw/zinc/33/51/98/1036335198.db2.gz SIYBVLXFBCTLRR-CYBMUJFWSA-N -1 0 339.436 3.739 20 0 EHADRM COc1cccc(S(=O)(=O)[N-]c2ncc(-c3ccccc3)s2)c1 ZINC000589269573 1036335756 /nfs/dbraw/zinc/33/57/56/1036335756.db2.gz YPUBPVAVPMYFAD-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM O=C(/C=C\c1ccnc(Cl)c1)Nc1cc(Cl)c([O-])cc1F ZINC000492897348 1036388144 /nfs/dbraw/zinc/38/81/44/1036388144.db2.gz RUHVUFDBBQQHAE-UPHRSURJSA-N -1 0 327.142 3.885 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)CC2CCC(C(=O)[O-])CC2)c1 ZINC000572527184 1036402164 /nfs/dbraw/zinc/40/21/64/1036402164.db2.gz QXDDMRLQJXMQGP-LEOMRAHMSA-N -1 0 329.440 3.940 20 0 EHADRM CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000589437664 1036415435 /nfs/dbraw/zinc/41/54/35/1036415435.db2.gz ZOQQLMYNNIXAIN-UHFFFAOYSA-N -1 0 345.342 3.692 20 0 EHADRM O=S(=O)([N-]c1cncc2ccccc21)c1cccc2cnccc21 ZINC000535387023 1036431205 /nfs/dbraw/zinc/43/12/05/1036431205.db2.gz WWHPIQCQJGCXLA-UHFFFAOYSA-N -1 0 335.388 3.584 20 0 EHADRM Cc1onc(-c2ccncc2)c1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000376386838 1036445805 /nfs/dbraw/zinc/44/58/05/1036445805.db2.gz VKCXVPQBHNNOAQ-UHFFFAOYSA-N -1 0 347.733 3.795 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N2Cc3ccccc3C(C)(C)C2)s1 ZINC000535455818 1036508908 /nfs/dbraw/zinc/50/89/08/1036508908.db2.gz FWCSNHANTUAPJG-UHFFFAOYSA-N -1 0 344.484 3.628 20 0 EHADRM O=S(=O)([N-]c1cccc2c1OCCC2)c1cccc(Cl)c1F ZINC000464537150 1036545266 /nfs/dbraw/zinc/54/52/66/1036545266.db2.gz JHIYHQKTACRZKP-UHFFFAOYSA-N -1 0 341.791 3.605 20 0 EHADRM O=S(=O)([N-]c1cccc2c1OCCC2)c1ccc(Cl)cc1F ZINC000464540935 1036547700 /nfs/dbraw/zinc/54/77/00/1036547700.db2.gz OCGCTSOAXMTKRC-UHFFFAOYSA-N -1 0 341.791 3.605 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccccc2SC(F)F)C1 ZINC000263164337 1036563414 /nfs/dbraw/zinc/56/34/14/1036563414.db2.gz QZOBTURMRZMLCA-ZJUUUORDSA-N -1 0 344.383 3.576 20 0 EHADRM O=C(Cc1cc(Cl)cc2c1OCC2)Nc1cccc(Cl)c1[O-] ZINC000541719737 1036591745 /nfs/dbraw/zinc/59/17/45/1036591745.db2.gz IRMPWRPUYXKDTL-UHFFFAOYSA-N -1 0 338.190 3.815 20 0 EHADRM Cc1cccc(NC(=O)CN(C)Cc2c(O)cccc2Cl)c1C ZINC000161540787 1036597342 /nfs/dbraw/zinc/59/73/42/1036597342.db2.gz XHVRCIUWOXYGPB-UHFFFAOYSA-N -1 0 332.831 3.733 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000263187132 1036609377 /nfs/dbraw/zinc/60/93/77/1036609377.db2.gz WYOMOVKXQGKHAN-KRWDZBQOSA-N -1 0 349.427 3.607 20 0 EHADRM CC(C)(C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1)c1cccs1 ZINC000263199460 1036624746 /nfs/dbraw/zinc/62/47/46/1036624746.db2.gz UUWNLESBOUJVSX-HNNXBMFYSA-N -1 0 345.464 3.618 20 0 EHADRM CCC[C@H](CNC(=O)Cc1csc2ccc(Cl)cc12)C(=O)[O-] ZINC000263206222 1036630612 /nfs/dbraw/zinc/63/06/12/1036630612.db2.gz OJDKQMKRTSPVLL-SNVBAGLBSA-N -1 0 339.844 3.714 20 0 EHADRM C[C@@H](c1cccs1)N(C)C(=O)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000319868428 1036644001 /nfs/dbraw/zinc/64/40/01/1036644001.db2.gz SSEPIYTYEUJRMF-UGSOOPFHSA-N -1 0 331.437 3.700 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)Cn2ccc3ccc(Cl)cc32)s[n-]1 ZINC000589935456 1036664742 /nfs/dbraw/zinc/66/47/42/1036664742.db2.gz DPONRBJZIIOXMQ-UHFFFAOYSA-N -1 0 348.859 3.504 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2cccc3cccnc32)cc1C ZINC000032588905 1036733917 /nfs/dbraw/zinc/73/39/17/1036733917.db2.gz NNEVMXOBXFPOKW-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM CC(C)[C@H](C(=O)Nc1ccc(CC(=O)[O-])c(F)c1)c1ccccc1 ZINC000263296443 1036758507 /nfs/dbraw/zinc/75/85/07/1036758507.db2.gz ZPAVQLOJXKFDHZ-SFHVURJKSA-N -1 0 329.371 3.831 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000263333316 1036793009 /nfs/dbraw/zinc/79/30/09/1036793009.db2.gz QICYJQZGHLLVGG-MXYBEHONSA-N -1 0 337.847 3.791 20 0 EHADRM Cc1c(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)oc2c1C(=O)CCC2 ZINC000263356390 1036805701 /nfs/dbraw/zinc/80/57/01/1036805701.db2.gz XCHCHSNVTWNRCR-JTQLQIEISA-N -1 0 341.363 3.547 20 0 EHADRM CCOc1ccccc1[C@@H](CC(C)C)NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000263359604 1036820333 /nfs/dbraw/zinc/82/03/33/1036820333.db2.gz YAAYGOSGSJNTAP-HLLBOEOZSA-N -1 0 347.455 3.790 20 0 EHADRM O=C([O-])[C@H](Cc1ccccc1)N[C@@H](CCc1ccccc1)C(F)F ZINC000263376241 1036824130 /nfs/dbraw/zinc/82/41/30/1036824130.db2.gz ANPXBPHTXFTWJM-IRXDYDNUSA-N -1 0 333.378 3.538 20 0 EHADRM Cc1nn(C)cc1[C@@H]1CCCN1C(=O)c1cc(O)c2ccccc2c1 ZINC000376444148 1036834710 /nfs/dbraw/zinc/83/47/10/1036834710.db2.gz ZGFRCFCQGQCUGS-SFHVURJKSA-N -1 0 335.407 3.565 20 0 EHADRM Cc1cc(C(=O)N=c2[n-]nc(C(C)(C)C)s2)nn1C1CCCCC1 ZINC000539544051 1036896733 /nfs/dbraw/zinc/89/67/33/1036896733.db2.gz CPZHUESGHKGMMW-UHFFFAOYSA-N -1 0 347.488 3.520 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)s2)c(C)o1 ZINC000539551203 1036904047 /nfs/dbraw/zinc/90/40/47/1036904047.db2.gz FZGLJDGXMUDGJE-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM C[C@@H](NC(=O)c1ccccc1SCc1cccs1)[C@@H](C)C(=O)[O-] ZINC000263433383 1036907019 /nfs/dbraw/zinc/90/70/19/1036907019.db2.gz LBNLMKVJUOHVQL-VXGBXAGGSA-N -1 0 349.477 3.879 20 0 EHADRM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cccc3cccnc32)n[nH]1 ZINC000177773209 1036929847 /nfs/dbraw/zinc/92/98/47/1036929847.db2.gz MRIHVEPQXBJXCM-LBPRGKRZSA-N -1 0 344.440 3.662 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1cc(Cl)ccc1Cl ZINC000177832392 1036944772 /nfs/dbraw/zinc/94/47/72/1036944772.db2.gz QOBWRCHWQCOLHI-UHFFFAOYSA-N -1 0 338.237 3.864 20 0 EHADRM CCOC(=O)c1csc(=NCc2cc(C)cc3c(C)c(C)[nH]c32)[n-]1 ZINC000590575187 1036953926 /nfs/dbraw/zinc/95/39/26/1036953926.db2.gz VCYHPQDQTLBPNP-UHFFFAOYSA-N -1 0 343.452 3.760 20 0 EHADRM C[C@@H](NC(=O)c1cc(C2CC2)nc2ccc(Cl)cc21)[C@H](C)C(=O)[O-] ZINC000263475108 1036962375 /nfs/dbraw/zinc/96/23/75/1036962375.db2.gz SPOIXJBQWFUCBK-VHSXEESVSA-N -1 0 346.814 3.605 20 0 EHADRM CN(C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1)[C@H]1CCC(C)(C)C1 ZINC000263490496 1036990630 /nfs/dbraw/zinc/99/06/30/1036990630.db2.gz QZUOYOHBRIQALN-IRXDYDNUSA-N -1 0 346.471 3.683 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N2CC=C(c3ccccc3C)C2)s1 ZINC000542058134 1037020470 /nfs/dbraw/zinc/02/04/70/1037020470.db2.gz HFZSEKGVDWXUGS-UHFFFAOYSA-N -1 0 342.468 3.542 20 0 EHADRM CC(C)Cc1n[n-]c(=NCc2ccc(Cl)c(Br)c2)o1 ZINC000539693283 1037081562 /nfs/dbraw/zinc/08/15/62/1037081562.db2.gz DZQGFKFWQMOJSV-UHFFFAOYSA-N -1 0 344.640 3.718 20 0 EHADRM O=C([O-])C1CCC(Nc2nnc(-c3ccccc3Cl)s2)CC1 ZINC000263570402 1037165669 /nfs/dbraw/zinc/16/56/69/1037165669.db2.gz ZZZZSWPUARZPDS-UHFFFAOYSA-N -1 0 337.832 3.914 20 0 EHADRM CC(C)(C)C[C@H]([N-]S(=O)(=O)CCCC(F)(F)F)C(F)(F)F ZINC000539767771 1037167974 /nfs/dbraw/zinc/16/79/74/1037167974.db2.gz HWWSAMXRECVUOW-QMMMGPOBSA-N -1 0 343.333 3.615 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc(F)c(F)c([O-])c2F)[C@@H]2CCCC[C@@H]12 ZINC000544509287 1037174792 /nfs/dbraw/zinc/17/47/92/1037174792.db2.gz ZIFRJVYGBOHSQG-GBIKHYSHSA-N -1 0 327.346 3.850 20 0 EHADRM CCC[C@@H](CC)NC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666523919 1037177991 /nfs/dbraw/zinc/17/79/91/1037177991.db2.gz OKTIYRBTBZTRSP-OAHLLOKOSA-N -1 0 332.444 3.853 20 0 EHADRM CC(C)(C)c1ccc(-c2ccc(CN3CCO[C@@H](C(=O)[O-])C3)o2)cc1 ZINC000666581002 1037235628 /nfs/dbraw/zinc/23/56/28/1037235628.db2.gz WMFYLLVRXDKLNH-GOSISDBHSA-N -1 0 343.423 3.530 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000089288543 1037237540 /nfs/dbraw/zinc/23/75/40/1037237540.db2.gz BSHPKJAENDNOGC-SECBINFHSA-N -1 0 336.240 3.644 20 0 EHADRM CC(C)c1ccc(S(=O)(=O)[N-]c2nc(C(C)(C)C)cs2)cc1 ZINC000028577252 1037241427 /nfs/dbraw/zinc/24/14/27/1037241427.db2.gz AVSGJIKYCRDTIC-UHFFFAOYSA-N -1 0 338.498 3.787 20 0 EHADRM CC(C)[C@H](SCc1ccccc1)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000610853103 1037254788 /nfs/dbraw/zinc/25/47/88/1037254788.db2.gz KPLRZZVTVDHTFA-INIZCTEOSA-N -1 0 349.496 3.706 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000659118999 1037289563 /nfs/dbraw/zinc/28/95/63/1037289563.db2.gz BCOURQFPNWIHNI-GOEBONIOSA-N -1 0 327.380 3.742 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000659123034 1037301813 /nfs/dbraw/zinc/30/18/13/1037301813.db2.gz SRTKKWUSQUCWRL-SWLSCSKDSA-N -1 0 327.380 3.552 20 0 EHADRM O=C([O-])CN(C(=O)Nc1ccc(Cl)cc1Cl)C1CCCC1 ZINC000040535905 1037309530 /nfs/dbraw/zinc/30/95/30/1037309530.db2.gz GPGXWQFYXRLEOD-UHFFFAOYSA-N -1 0 331.199 3.855 20 0 EHADRM CN(Cc1ccccc1C(F)(F)F)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000177021033 1037329804 /nfs/dbraw/zinc/32/98/04/1037329804.db2.gz IKXUCXABMYZYFF-UHFFFAOYSA-N -1 0 345.267 3.961 20 0 EHADRM CCN(Cc1ccc(C(=O)[O-])cc1Br)CC(F)(F)F ZINC000226726289 1037345582 /nfs/dbraw/zinc/34/55/82/1037345582.db2.gz KWNOUGCCOTXAML-UHFFFAOYSA-N -1 0 340.139 3.532 20 0 EHADRM C[C@@H](NC(=O)c1cc(F)c([O-])c(F)c1)c1cccc(OC(F)F)c1 ZINC000177066041 1037350463 /nfs/dbraw/zinc/35/04/63/1037350463.db2.gz CRUBNZHCQQXDJQ-MRVPVSSYSA-N -1 0 343.276 3.763 20 0 EHADRM COCc1cc(NC(=O)c2ccc(C3CC3)cc2)cc(C(=O)[O-])c1 ZINC000659149871 1037371940 /nfs/dbraw/zinc/37/19/40/1037371940.db2.gz LBHLFRBPSJCUDU-UHFFFAOYSA-N -1 0 325.364 3.661 20 0 EHADRM C[C@H](CC(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1)[C@@H]1CCCO1 ZINC000659158469 1037382445 /nfs/dbraw/zinc/38/24/45/1037382445.db2.gz DPEDWDMJAUIFKS-OIISXLGYSA-N -1 0 339.476 3.512 20 0 EHADRM CCOC(=O)c1coc(=NCC(c2ccccc2)c2ccccc2)[n-]1 ZINC000542468253 1037393084 /nfs/dbraw/zinc/39/30/84/1037393084.db2.gz NBGNDONEYZNCTJ-UHFFFAOYSA-N -1 0 336.391 3.517 20 0 EHADRM CC(C)C[C@H](CNC(=O)C1(C(F)(F)F)CCCCC1)CC(=O)[O-] ZINC000659164833 1037394719 /nfs/dbraw/zinc/39/47/19/1037394719.db2.gz ZLPDEKCWAPZTNY-LBPRGKRZSA-N -1 0 337.382 3.752 20 0 EHADRM CC(C)c1cccc(C(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)c1 ZINC000659164651 1037398659 /nfs/dbraw/zinc/39/86/59/1037398659.db2.gz SSXNJNHCJUTNNX-UHFFFAOYSA-N -1 0 338.407 3.711 20 0 EHADRM Cc1cccc(C)c1[C@@H]1CCCN1C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000659168299 1037410474 /nfs/dbraw/zinc/41/04/74/1037410474.db2.gz VEVDJSBURFDQGA-SFHVURJKSA-N -1 0 337.419 3.908 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)CC[C@H](C)c2ccccc2)n1 ZINC000659183892 1037436148 /nfs/dbraw/zinc/43/61/48/1037436148.db2.gz ZWHHMEGXPZMMMT-GOEBONIOSA-N -1 0 343.427 3.831 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CCCc3sccc32)[C@H]2CCCC[C@@H]12 ZINC000659190150 1037443023 /nfs/dbraw/zinc/44/30/23/1037443023.db2.gz IRWGFMZHJHWAHP-XZDPQHSOSA-N -1 0 347.480 3.660 20 0 EHADRM O=C(c1c([O-])cc(F)cc1F)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000669933882 1037450124 /nfs/dbraw/zinc/45/01/24/1037450124.db2.gz MIWPVOQQVLYYBR-GFCCVEGCSA-N -1 0 349.299 3.865 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)CCc2cccc(Cl)c2)n1 ZINC000659186331 1037450713 /nfs/dbraw/zinc/45/07/13/1037450713.db2.gz WIYRSXBBFXQEOY-CQSZACIVSA-N -1 0 349.818 3.534 20 0 EHADRM CCc1sc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)cc1C ZINC000659193136 1037462456 /nfs/dbraw/zinc/46/24/56/1037462456.db2.gz IGCFXRQFVWGGKC-RDBSUJKOSA-N -1 0 335.469 3.724 20 0 EHADRM COC[C@@H](C)Oc1cccc(-c2ccccc2OCCC(=O)[O-])c1 ZINC000573386688 1037502257 /nfs/dbraw/zinc/50/22/57/1037502257.db2.gz LGAHWWWWOCEBIL-CQSZACIVSA-N -1 0 330.380 3.621 20 0 EHADRM Cc1ccc(NC(=O)N([C@H](Cc2ccccc2)C(=O)[O-])C2CC2)s1 ZINC000517273192 1037520105 /nfs/dbraw/zinc/52/01/05/1037520105.db2.gz KTYCMWHFRPBUFG-OAHLLOKOSA-N -1 0 344.436 3.749 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c(F)c1 ZINC000659226157 1037523405 /nfs/dbraw/zinc/52/34/05/1037523405.db2.gz WCHOVNLKGTTXJX-CABZTGNLSA-N -1 0 347.308 3.509 20 0 EHADRM O=C(CSc1n[n-]c(=S)s1)N(c1ccccc1)C1CCC1 ZINC000913673139 1037547239 /nfs/dbraw/zinc/54/72/39/1037547239.db2.gz SYSVERRWBBMBLV-UHFFFAOYSA-N -1 0 337.495 3.505 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)CCc1ccc(-c2ccccc2)o1 ZINC000659237071 1037550418 /nfs/dbraw/zinc/55/04/18/1037550418.db2.gz WSLMCHBJVWUPDH-YLJYHZDGSA-N -1 0 341.407 3.639 20 0 EHADRM CN(C[C@@H]1CCc2ccccc21)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000659235413 1037551490 /nfs/dbraw/zinc/55/14/90/1037551490.db2.gz XSYGDRDOTKCQFO-SFHVURJKSA-N -1 0 337.419 3.506 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CO[C@H]2CCCC[C@@H]2CC)c1 ZINC000462925115 1037551716 /nfs/dbraw/zinc/55/17/16/1037551716.db2.gz NMXJFVAEPHJLIR-UGSOOPFHSA-N -1 0 333.428 3.909 20 0 EHADRM CCC[C@H](NC(=O)CC1(C(=O)[O-])CCCCCC1)c1ccccn1 ZINC000591689761 1037558321 /nfs/dbraw/zinc/55/83/21/1037558321.db2.gz CJRKNTMBTMHXJP-INIZCTEOSA-N -1 0 332.444 3.854 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N[C@@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000659239435 1037559900 /nfs/dbraw/zinc/55/99/00/1037559900.db2.gz LPEOFERAELZWIN-CXAGYDPISA-N -1 0 335.400 3.722 20 0 EHADRM C[C@H](CC(=O)[O-])N(C)C(=O)/C=C\c1ccc(Cl)c(C(F)(F)F)c1 ZINC000493723513 1037583000 /nfs/dbraw/zinc/58/30/00/1037583000.db2.gz VFLWOCGMZKWRHE-XTULLQBASA-N -1 0 349.736 3.694 20 0 EHADRM COCCCCCSc1n[n-]c(=Nc2ccccc2F)s1 ZINC000491832952 1037704054 /nfs/dbraw/zinc/70/40/54/1037704054.db2.gz BXPURMZREPQWAP-UHFFFAOYSA-N -1 0 327.450 3.752 20 0 EHADRM O=S(=O)([N-]c1ccccc1CC(F)(F)F)c1ccccc1F ZINC000172901600 1037733656 /nfs/dbraw/zinc/73/36/56/1037733656.db2.gz VARAWBSUJYHZEH-UHFFFAOYSA-N -1 0 333.306 3.731 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)Nc3ccccc3O)n2)cc1 ZINC000303817977 1037757957 /nfs/dbraw/zinc/75/79/57/1037757957.db2.gz DXLRLSAPAXXWGU-UHFFFAOYSA-N -1 0 337.379 3.659 20 0 EHADRM Cc1cccc(-c2noc(C(=O)[N-]c3c(F)cccc3F)n2)c1C ZINC001212170502 1037767887 /nfs/dbraw/zinc/76/78/87/1037767887.db2.gz DDPLUFRHIASTKO-UHFFFAOYSA-N -1 0 329.306 3.884 20 0 EHADRM CCCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(OC)c2)cc1 ZINC000532598826 1037806421 /nfs/dbraw/zinc/80/64/21/1037806421.db2.gz IVMWRIBXIZDUBC-GOSISDBHSA-N -1 0 341.407 3.594 20 0 EHADRM CCSc1n[n-]c(=NC(=O)c2cc3cc(C)c(C)cc3o2)s1 ZINC000463167283 1037842347 /nfs/dbraw/zinc/84/23/47/1037842347.db2.gz BYHDDLVDZYUCIQ-UHFFFAOYSA-N -1 0 333.438 3.687 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)cc1 ZINC000475883875 1037853217 /nfs/dbraw/zinc/85/32/17/1037853217.db2.gz OZHLPZCVWPWGSA-TUVUNVSASA-N -1 0 335.513 3.955 20 0 EHADRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)cc1OC(F)F ZINC000303945175 1037888009 /nfs/dbraw/zinc/88/80/09/1037888009.db2.gz GOJYXPKFWYLJDZ-UHFFFAOYSA-N -1 0 349.305 3.675 20 0 EHADRM O=C(/C=C/c1ccncn1)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000182976058 1037926033 /nfs/dbraw/zinc/92/60/33/1037926033.db2.gz HSNZLMZIYVPZBA-OWOJBTEDSA-N -1 0 344.585 3.794 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccc[nH]2)cc1)c1cccc(F)c1F ZINC000540458950 1037958371 /nfs/dbraw/zinc/95/83/71/1037958371.db2.gz FZJUFTCBYSCOCU-UHFFFAOYSA-N -1 0 334.347 3.761 20 0 EHADRM Cn1c(NC(=O)c2ccc([O-])c(Cl)c2)nc2cccc(Cl)c21 ZINC000183848859 1038290912 /nfs/dbraw/zinc/29/09/12/1038290912.db2.gz KDRZDADGHJWJRD-UHFFFAOYSA-N -1 0 336.178 3.838 20 0 EHADRM CC[C@H]1CC[C@@H](C)N1C(=O)c1cc(F)cc(Br)c1[O-] ZINC000416189706 1038294920 /nfs/dbraw/zinc/29/49/20/1038294920.db2.gz LENCBAJTYJTQSQ-SCZZXKLOSA-N -1 0 330.197 3.697 20 0 EHADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000461346341 1038341378 /nfs/dbraw/zinc/34/13/78/1038341378.db2.gz HWAKRGHLXTZWNT-UHFFFAOYSA-N -1 0 337.344 3.576 20 0 EHADRM Cc1sc(/C=C/c2cc(Cl)c3c(c2)OCCO3)nc1C(=O)[O-] ZINC000339120988 1038346616 /nfs/dbraw/zinc/34/66/16/1038346616.db2.gz UUQXZOBQWNXHQP-NSCUHMNNSA-N -1 0 337.784 3.745 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)C1CCCCC1 ZINC000538506223 1038346780 /nfs/dbraw/zinc/34/67/80/1038346780.db2.gz KNCIOUDGZLBLSX-ULQDDVLXSA-N -1 0 349.858 3.983 20 0 EHADRM CCN(CC(C)(C)C)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000416232153 1038374881 /nfs/dbraw/zinc/37/48/81/1038374881.db2.gz DWBAHHMIJXJFOS-UHFFFAOYSA-N -1 0 332.213 3.802 20 0 EHADRM O=C(c1cc(F)cc(Br)c1[O-])N(CC1CC1)C1CCC1 ZINC000416228958 1038383290 /nfs/dbraw/zinc/38/32/90/1038383290.db2.gz TWDWIWRZQMULLS-UHFFFAOYSA-N -1 0 342.208 3.699 20 0 EHADRM CC(C)[C@@H]1N(C(=O)c2cc(F)cc(Br)c2[O-])CC1(C)C ZINC000416242462 1038401005 /nfs/dbraw/zinc/40/10/05/1038401005.db2.gz SAIDEJWABPQAEB-ZDUSSCGKSA-N -1 0 344.224 3.800 20 0 EHADRM C[C@@H]1C[C@H]1[C@H](NC(=O)c1ccc(C(=O)[O-])o1)c1ccc(Cl)cc1 ZINC000538582765 1038405324 /nfs/dbraw/zinc/40/53/24/1038405324.db2.gz OBDUGOSIQUMQSY-DDHOLCJHSA-N -1 0 333.771 3.758 20 0 EHADRM COc1ccc(C)cc1CCN=c1nc(-c2ccccc2)[n-]s1 ZINC000461463109 1038443592 /nfs/dbraw/zinc/44/35/92/1038443592.db2.gz INCHKRNICLNMCM-UHFFFAOYSA-N -1 0 325.437 3.599 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccsc2)s1)N[C@H]1CC12CCCCC2 ZINC000538946230 1038609542 /nfs/dbraw/zinc/60/95/42/1038609542.db2.gz MUZNYWRHAGLZDD-NSHDSACASA-N -1 0 334.470 3.533 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000910241404 1038783447 /nfs/dbraw/zinc/78/34/47/1038783447.db2.gz UTHZNYWWHUQUCA-YSIASYRMSA-N -1 0 349.430 3.580 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)cc1 ZINC000910246143 1038785772 /nfs/dbraw/zinc/78/57/72/1038785772.db2.gz NHQUCVBCQDAZPB-NBMRYCAZSA-N -1 0 345.439 3.579 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)cc1 ZINC000910246144 1038787429 /nfs/dbraw/zinc/78/74/29/1038787429.db2.gz NHQUCVBCQDAZPB-XDKFSHSGSA-N -1 0 345.439 3.579 20 0 EHADRM O=C(N=c1nc(-c2cccc(Cl)c2)[n-]s1)[C@@H]1CCC(F)(F)C1 ZINC000479848687 1038806494 /nfs/dbraw/zinc/80/64/94/1038806494.db2.gz GNLFZSWYHQDPLQ-SECBINFHSA-N -1 0 343.786 3.654 20 0 EHADRM CC[C@H](Nc1ncc(C(=O)[O-])c(C)n1)c1nc(C(F)(F)F)cs1 ZINC000910298399 1038814984 /nfs/dbraw/zinc/81/49/84/1038814984.db2.gz FGJFTJULRGSHSZ-QMMMGPOBSA-N -1 0 346.334 3.522 20 0 EHADRM CC(C)c1ccc2ncnc(NCc3ncc(C(=O)[O-])s3)c2c1 ZINC000910333459 1038832221 /nfs/dbraw/zinc/83/22/21/1038832221.db2.gz YGWWEFDTUWFIRY-UHFFFAOYSA-N -1 0 328.397 3.520 20 0 EHADRM CCn1nc(C2CC2)cc1C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC000910359893 1038857200 /nfs/dbraw/zinc/85/72/00/1038857200.db2.gz NYFWCQOXOGICSV-UHFFFAOYSA-N -1 0 349.390 3.884 20 0 EHADRM Cc1cccc([C@H](NCc2cc(C(F)(F)F)co2)C(=O)[O-])c1C ZINC000905403176 1038863103 /nfs/dbraw/zinc/86/31/03/1038863103.db2.gz ZHOYRGRALVZBKW-AWEZNQCLSA-N -1 0 327.302 3.831 20 0 EHADRM C[C@@H]1CC/C(=C\C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000753800918 1038867316 /nfs/dbraw/zinc/86/73/16/1038867316.db2.gz ZTEZYAVFSKAELK-NCXKZPMSSA-N -1 0 348.251 3.545 20 0 EHADRM Cc1nc(N[C@H](C[C@H]2CCOC2)c2ccccc2)ccc1C(=O)[O-] ZINC000910371374 1038869049 /nfs/dbraw/zinc/86/90/49/1038869049.db2.gz YFDSRQXRRHVORP-RHSMWYFYSA-N -1 0 326.396 3.668 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C=C(C1CC1)C1CC1)c1ccccc1Cl ZINC000910403316 1038883986 /nfs/dbraw/zinc/88/39/86/1038883986.db2.gz CAXVCSPPEBHHEI-MRXNPFEDSA-N -1 0 333.815 3.718 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1coc(C2CCC2)n1)c1ccccc1Cl ZINC000910404916 1038886843 /nfs/dbraw/zinc/88/68/43/1038886843.db2.gz ACCVJZNUOKFHGK-CYBMUJFWSA-N -1 0 348.786 3.541 20 0 EHADRM CSCCCCC(=O)N[C@H](CC(=O)[O-])c1ccccc1Cl ZINC000910403910 1038887411 /nfs/dbraw/zinc/88/74/11/1038887411.db2.gz MTEZNWSAROOUAJ-CYBMUJFWSA-N -1 0 329.849 3.505 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccsc1)c1ccccc1Cl ZINC000910407254 1038893466 /nfs/dbraw/zinc/89/34/66/1038893466.db2.gz XVOVOWWTGNIMPC-GZBFAFLISA-N -1 0 349.839 3.837 20 0 EHADRM C[C@@H](CC(=O)N1CC[C@]2(C(=O)[O-])CCC[C@H]12)c1c[nH]c2ccccc21 ZINC000910392358 1038896948 /nfs/dbraw/zinc/89/69/48/1038896948.db2.gz UESCSAGOBLTWJC-QKMWGZLOSA-N -1 0 340.423 3.517 20 0 EHADRM COc1cccc([C@@H]2CCN(C(=O)CC(C)(C)CC(=O)[O-])C2(C)C)c1 ZINC000910411763 1038898845 /nfs/dbraw/zinc/89/88/45/1038898845.db2.gz IODBJJKELFPWJC-INIZCTEOSA-N -1 0 347.455 3.681 20 0 EHADRM Cc1ccc(-c2noc(=N[C@@H]3CCO[C@@H](c4cccs4)C3)[n-]2)cc1 ZINC000570025630 1038918229 /nfs/dbraw/zinc/91/82/29/1038918229.db2.gz VUZFTMNPAZGRQC-HUUCEWRRSA-N -1 0 341.436 3.861 20 0 EHADRM Cc1cc(CNc2nn3cc(C4CCCC4)nc3s2)oc1C(=O)[O-] ZINC000910479654 1038933389 /nfs/dbraw/zinc/93/33/89/1038933389.db2.gz XQRPWNXDQOWHLM-UHFFFAOYSA-N -1 0 346.412 3.660 20 0 EHADRM CC(C)(C)c1ccc(CN=c2[n-]nc(-c3ccccn3)s2)s1 ZINC000432729702 1038935603 /nfs/dbraw/zinc/93/56/03/1038935603.db2.gz ICNMKLIXPYCLOF-UHFFFAOYSA-N -1 0 330.482 3.993 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN(C(=O)C1CC3(C1)CCCCC3)C2 ZINC000910502733 1038949061 /nfs/dbraw/zinc/94/90/61/1038949061.db2.gz RHXKDEBXPTZWKZ-UHFFFAOYSA-N -1 0 327.424 3.630 20 0 EHADRM C[C@]1(c2ccccc2)CCCN1C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000910504363 1038951332 /nfs/dbraw/zinc/95/13/32/1038951332.db2.gz AWWFOYXFILIGCO-ALLBUHFWSA-N -1 0 329.440 3.805 20 0 EHADRM CC[C@@H]1CN(C(=O)CCCCCc2cccs2)C[C@@]1(F)C(=O)[O-] ZINC000910552268 1038964716 /nfs/dbraw/zinc/96/47/16/1038964716.db2.gz RCXQCVJUURZTDP-DYVFJYSZSA-N -1 0 341.448 3.512 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N[C@@H](CC(=O)[O-])C2CCCC2)c1 ZINC000910572583 1038969544 /nfs/dbraw/zinc/96/95/44/1038969544.db2.gz VFCGLDUFOHMCOJ-AWEZNQCLSA-N -1 0 341.860 3.825 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CC2(CCC2)[C@H]1c1cccnc1 ZINC000898413663 1038980309 /nfs/dbraw/zinc/98/03/09/1038980309.db2.gz DPODRYSBYFIDSJ-MRXNPFEDSA-N -1 0 346.789 3.947 20 0 EHADRM CC(C)Cc1n[n-]c(=NCc2cc(Cl)ccc2OCC2CC2)o1 ZINC000485374204 1038983577 /nfs/dbraw/zinc/98/35/77/1038983577.db2.gz WNYHXFZUHHZTQU-UHFFFAOYSA-N -1 0 335.835 3.744 20 0 EHADRM Cc1cnc([C@@H](C)Sc2n[n-]c(=Nc3cccc(F)c3)s2)cn1 ZINC000488238778 1038995950 /nfs/dbraw/zinc/99/59/50/1038995950.db2.gz XIKVMZOXNVAQNU-SNVBAGLBSA-N -1 0 347.444 3.794 20 0 EHADRM CCSCc1ccnc(NC(=O)CC2CCC(C(=O)[O-])CC2)c1 ZINC000910648338 1039002005 /nfs/dbraw/zinc/00/20/05/1039002005.db2.gz IJTQLFURVLWYJY-UHFFFAOYSA-N -1 0 336.457 3.554 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc(SCc2ccccc2)cn1 ZINC000910649766 1039002318 /nfs/dbraw/zinc/00/23/18/1039002318.db2.gz YOFHKTUUGKTOJC-CYBMUJFWSA-N -1 0 344.436 3.813 20 0 EHADRM CCC[C@@H]1[C@H](C)CCCN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000479996385 1039010781 /nfs/dbraw/zinc/01/07/81/1039010781.db2.gz SBNZBTTVISZNEL-GDBMZVCRSA-N -1 0 327.428 3.619 20 0 EHADRM O=C([O-])Cc1cnc(NC(=O)CCCCCc2cccs2)s1 ZINC000910672465 1039013061 /nfs/dbraw/zinc/01/30/61/1039013061.db2.gz BLSBZGUKDOZWCN-UHFFFAOYSA-N -1 0 338.454 3.573 20 0 EHADRM O=C(N=c1nc(-c2ccccc2Cl)[n-]s1)[C@H]1CCC(F)(F)C1 ZINC000480023077 1039022550 /nfs/dbraw/zinc/02/25/50/1039022550.db2.gz XGRGQDSWOCDLQG-QMMMGPOBSA-N -1 0 343.786 3.654 20 0 EHADRM Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c1 ZINC000485394529 1039022834 /nfs/dbraw/zinc/02/28/34/1039022834.db2.gz XDBPARPKNZSVQZ-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM CCc1cccc(Cl)c1CN=c1[n-]nc(-c2ccccn2)s1 ZINC000432753762 1039033539 /nfs/dbraw/zinc/03/35/39/1039033539.db2.gz GELSHAMRLWPGHH-UHFFFAOYSA-N -1 0 330.844 3.850 20 0 EHADRM CCOC(=O)c1coc(=N[C@@H](C)c2ccc(SC(C)C)cc2)[n-]1 ZINC000418853307 1039049608 /nfs/dbraw/zinc/04/96/08/1039049608.db2.gz JDPSAAWIKAEBTA-LBPRGKRZSA-N -1 0 334.441 3.947 20 0 EHADRM CC(C)(CNC(=O)C(C)(C)c1cccc(C(F)(F)F)c1)CC(=O)[O-] ZINC000910821403 1039096412 /nfs/dbraw/zinc/09/64/12/1039096412.db2.gz UKNSGCONLPMNKF-UHFFFAOYSA-N -1 0 345.361 3.600 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)CC2(CCc3ccccc3)CCCC2)C1 ZINC000485451195 1039100019 /nfs/dbraw/zinc/10/00/19/1039100019.db2.gz PGGWEBRGUPBNDA-SFHVURJKSA-N -1 0 343.467 3.893 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2Cl)cc1 ZINC000500648793 1039115853 /nfs/dbraw/zinc/11/58/53/1039115853.db2.gz IUTBVVQJNUKRSD-NWDGAFQWSA-N -1 0 333.746 3.920 20 0 EHADRM Cc1nc(-c2ccccc2C)sc1C(=O)NCC(C)(C)CC(=O)[O-] ZINC000910828958 1039118942 /nfs/dbraw/zinc/11/89/42/1039118942.db2.gz IAAKLXXMHRJEEA-UHFFFAOYSA-N -1 0 346.452 3.658 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2O)cc1C(C)C ZINC000432775411 1039122445 /nfs/dbraw/zinc/12/24/45/1039122445.db2.gz IGORGGIRGPJKBD-UHFFFAOYSA-N -1 0 349.452 3.942 20 0 EHADRM O=C([O-])C1CCN(C(=O)CC2(CCc3ccccc3)CCCC2)CC1 ZINC000485480723 1039127050 /nfs/dbraw/zinc/12/70/50/1039127050.db2.gz RIBHWFFUFCGJBU-UHFFFAOYSA-N -1 0 343.467 3.893 20 0 EHADRM CC[C@@H](C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)C1CCC(C)CC1 ZINC000552280050 1039153443 /nfs/dbraw/zinc/15/34/43/1039153443.db2.gz QGLYOHKHOGNHIN-SEEARECTSA-N -1 0 342.443 3.968 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)Nc1ccccc1COC(C)(C)C ZINC000910945806 1039166823 /nfs/dbraw/zinc/16/68/23/1039166823.db2.gz ZGNJRAWLEJNHGY-UHFFFAOYSA-N -1 0 331.368 3.854 20 0 EHADRM O=C([O-])CC[C@@H]1CC[C@H](C(=O)Nc2ccc(-c3ccccc3)cc2)O1 ZINC000911080983 1039215567 /nfs/dbraw/zinc/21/55/67/1039215567.db2.gz DJDRLVPQNYHARU-ZWKOTPCHSA-N -1 0 339.391 3.705 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1Cc1nc(C2CC2)cs1 ZINC000569021692 1039226774 /nfs/dbraw/zinc/22/67/74/1039226774.db2.gz FKZUOKNWPHCEPN-HOTGVXAUSA-N -1 0 328.437 3.811 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc(-c3cnco3)cc2)CCCCC1 ZINC000324177063 1039228040 /nfs/dbraw/zinc/22/80/40/1039228040.db2.gz GYFYWRAZRWTUIB-UHFFFAOYSA-N -1 0 328.368 3.705 20 0 EHADRM CC(C)(C)[C@H]1CCc2sc(C(=O)N3CCC(C(=O)[O-])CC3)cc2C1 ZINC000236729186 1039247244 /nfs/dbraw/zinc/24/72/44/1039247244.db2.gz YPPSYMWVRLTLIY-AWEZNQCLSA-N -1 0 349.496 3.836 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N[C@H](C)c2ccc(C)cc2C)s1 ZINC000511593166 1039261804 /nfs/dbraw/zinc/26/18/04/1039261804.db2.gz IIIWLEPCUATVTO-LLVKDONJSA-N -1 0 336.486 3.572 20 0 EHADRM CC[C@H](C(=O)N[C@@H](C)CCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000237084952 1039304772 /nfs/dbraw/zinc/30/47/72/1039304772.db2.gz JQQFJMMOYVAFKI-GWCFXTLKSA-N -1 0 331.334 3.569 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC000911468743 1039373123 /nfs/dbraw/zinc/37/31/23/1039373123.db2.gz JGZDNYXLQBOVGP-MNOVXSKESA-N -1 0 325.792 3.567 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000237511175 1039377387 /nfs/dbraw/zinc/37/73/87/1039377387.db2.gz UUKSPNHXDVLNQU-UWVGGRQHSA-N -1 0 332.227 3.542 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H](C)c2nc(C)c(C(=O)[O-])s2)C1(C)C ZINC000237540880 1039383611 /nfs/dbraw/zinc/38/36/11/1039383611.db2.gz SCJUFBJICOUJCQ-QJPTWQEYSA-N -1 0 336.457 3.565 20 0 EHADRM Cc1ccc2[nH]c(-c3ccccc3NC(=O)[C@@H]3CC[C@@H]3C(=O)[O-])nc2c1 ZINC000911488548 1039388486 /nfs/dbraw/zinc/38/84/86/1039388486.db2.gz MRPGJVXWRZMMGU-OLZOCXBDSA-N -1 0 349.390 3.588 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000364011452 1039396347 /nfs/dbraw/zinc/39/63/47/1039396347.db2.gz JLMSHCNBMTZXFV-ZDUSSCGKSA-N -1 0 342.395 3.885 20 0 EHADRM Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000911543031 1039406610 /nfs/dbraw/zinc/40/66/10/1039406610.db2.gz YEIFVJIQHLLCPX-MBNYWOFBSA-N -1 0 343.345 3.606 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2F)c1 ZINC000911546123 1039407156 /nfs/dbraw/zinc/40/71/56/1039407156.db2.gz RYEQWUJXURVFPL-QGZVFWFLSA-N -1 0 345.345 3.569 20 0 EHADRM COCCCOc1ccc(-c2ccc([C@H](OC)C(=O)[O-])s2)cc1 ZINC000906249857 1039410652 /nfs/dbraw/zinc/41/06/52/1039410652.db2.gz LBAWVSWDCKCULE-INIZCTEOSA-N -1 0 336.409 3.603 20 0 EHADRM O=C([O-])CC1(CC(=O)N2CCC(CC(F)(F)F)CC2)CCCC1 ZINC000911582958 1039421635 /nfs/dbraw/zinc/42/16/35/1039421635.db2.gz BJXRILBUJFBQON-UHFFFAOYSA-N -1 0 335.366 3.603 20 0 EHADRM CC(C)(CCC(=O)[O-])C(=O)N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000911590617 1039433348 /nfs/dbraw/zinc/43/33/48/1039433348.db2.gz INDLECGRKAQUSH-UHFFFAOYSA-N -1 0 348.830 3.528 20 0 EHADRM CCC(C)(C)c1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccncc2)cc1 ZINC000911661456 1039444699 /nfs/dbraw/zinc/44/46/99/1039444699.db2.gz ANPTUTXRXVVJBT-QGZVFWFLSA-N -1 0 340.423 3.715 20 0 EHADRM COc1ccccc1[C@@H]1C[C@@H]1C(=O)Nc1cc(C(=O)[O-])c(C)cc1F ZINC000911680202 1039455688 /nfs/dbraw/zinc/45/56/88/1039455688.db2.gz BGPLJQPATBUZPP-KBPBESRZSA-N -1 0 343.354 3.583 20 0 EHADRM Cc1cccc(C2(C(=O)Nc3cc(C(=O)[O-])c(C)cc3F)CC2)c1 ZINC000911681670 1039457890 /nfs/dbraw/zinc/45/78/90/1039457890.db2.gz OKENSNYIJXDWJI-UHFFFAOYSA-N -1 0 327.355 3.811 20 0 EHADRM CC(C)Sc1ccc([C@@H](C)NC(=O)N(CC(=O)[O-])C2CC2)cc1 ZINC000554603432 1039512259 /nfs/dbraw/zinc/51/22/59/1039512259.db2.gz XYJFSDZQJRYWDY-GFCCVEGCSA-N -1 0 336.457 3.507 20 0 EHADRM CCC[C@H](NC(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl)C(=O)[O-] ZINC000554603439 1039514086 /nfs/dbraw/zinc/51/40/86/1039514086.db2.gz YVRDOHUYIACZKO-NEPJUHHUSA-N -1 0 345.226 3.533 20 0 EHADRM C[C@@H]1COCC[C@@H]1N=c1[n-]nc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000432857583 1039549787 /nfs/dbraw/zinc/54/97/87/1039549787.db2.gz FIKGFXOUGMYUPR-PELKAZGASA-N -1 0 344.267 3.771 20 0 EHADRM CC(C)(C)[C@@H]1CCCN(C(=O)N=c2[n-]nc(-c3ccco3)s2)C1 ZINC000431931299 1039567507 /nfs/dbraw/zinc/56/75/07/1039567507.db2.gz OGTZYRSTXPRIMJ-LLVKDONJSA-N -1 0 334.445 3.510 20 0 EHADRM Fc1ccc(SCCCN=c2[n-]c(C(F)(F)F)ns2)cc1 ZINC000552860280 1039579964 /nfs/dbraw/zinc/57/99/64/1039579964.db2.gz PUVNHKPYEQQKNL-UHFFFAOYSA-N -1 0 337.367 3.712 20 0 EHADRM CC(C)(C(=O)[O-])C1CCN(c2cncc(-c3cccs3)n2)CC1 ZINC000584722046 1039610972 /nfs/dbraw/zinc/61/09/72/1039610972.db2.gz GFMUNTNMRNFEKC-UHFFFAOYSA-N -1 0 331.441 3.532 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3C)[nH]n2)s1 ZINC000485879509 1039659803 /nfs/dbraw/zinc/65/98/03/1039659803.db2.gz AVSFKLCEXQNHRC-UHFFFAOYSA-N -1 0 347.465 3.810 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000912107072 1039689706 /nfs/dbraw/zinc/68/97/06/1039689706.db2.gz GDMAAWNVAZSQHJ-DLBZAZTESA-N -1 0 345.826 3.774 20 0 EHADRM C[C@H](CC(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1)c1ccccc1 ZINC000485936714 1039716793 /nfs/dbraw/zinc/71/67/93/1039716793.db2.gz UPRQYCFKVADQPC-CQSZACIVSA-N -1 0 336.391 3.858 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@@H]3CCC[C@@H]3C(=O)[O-])c2)cs1 ZINC000321638312 1039720308 /nfs/dbraw/zinc/72/03/08/1039720308.db2.gz JPJKIGVAZLBYOK-KGLIPLIRSA-N -1 0 330.409 3.558 20 0 EHADRM Cc1cc(C(=O)N=c2nc(-c3cccnc3)[n-]s2)c(C)cc1Cl ZINC000480577041 1039721037 /nfs/dbraw/zinc/72/10/37/1039721037.db2.gz IAVRAKTWXMOCMD-UHFFFAOYSA-N -1 0 344.827 3.545 20 0 EHADRM CC(C)(C)n1cc(/C=C2\CCc3c2nc2ccccc2c3C(=O)[O-])nn1 ZINC000478906073 1039785347 /nfs/dbraw/zinc/78/53/47/1039785347.db2.gz KDDUSXKHURJLER-ZRDIBKRKSA-N -1 0 348.406 3.766 20 0 EHADRM C[C@@H](N=c1nc(C(F)(F)F)[n-]s1)c1c(F)cccc1Cl ZINC000553156058 1039835770 /nfs/dbraw/zinc/83/57/70/1039835770.db2.gz OUTLCBVVUOCZIT-RXMQYKEDSA-N -1 0 325.718 3.944 20 0 EHADRM CC[C@H](N=c1nc(CC(C)C)[n-]s1)c1ccc(OC)c(OC)c1 ZINC000553264547 1039919372 /nfs/dbraw/zinc/91/93/72/1039919372.db2.gz MPGWOHDESKOJFQ-ZDUSSCGKSA-N -1 0 335.473 3.739 20 0 EHADRM Cc1cc2n[nH]cc2cc1NS(=O)(=O)c1cccc2ccccc21 ZINC000479113203 1039958773 /nfs/dbraw/zinc/95/87/73/1039958773.db2.gz CQWNVGPPOCVMNY-UHFFFAOYSA-N -1 0 337.404 3.825 20 0 EHADRM O=S(=O)([N-]c1nc2c(cccc2Cl)s1)c1ccccc1F ZINC000479130331 1039980208 /nfs/dbraw/zinc/98/02/08/1039980208.db2.gz CWTZSMRCMOWITR-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NCc1ncc(C(F)(F)F)s1)c1ccccc1 ZINC000417557354 1039997906 /nfs/dbraw/zinc/99/79/06/1039997906.db2.gz BHCITJBNTDBFSR-RNCFNFMXSA-N -1 0 344.358 3.714 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nc(C(C)(C)C)co2)cc(C)c1F ZINC000584829939 1040004257 /nfs/dbraw/zinc/00/42/57/1040004257.db2.gz CWHRYFQORJQAOD-UHFFFAOYSA-N -1 0 326.393 3.529 20 0 EHADRM C[C@]([N-]S(=O)(=O)Cc1ccccc1)(c1ccccc1)C(F)(F)F ZINC000479165563 1040010108 /nfs/dbraw/zinc/01/01/08/1040010108.db2.gz OLHFUFJHQGNLEK-HNNXBMFYSA-N -1 0 343.370 3.584 20 0 EHADRM COc1ccc([C@H](CCC(=O)[O-])NCc2ncc(Cl)s2)cc1 ZINC000417578978 1040023599 /nfs/dbraw/zinc/02/35/99/1040023599.db2.gz OPBXSSLHUIWTPC-LBPRGKRZSA-N -1 0 340.832 3.501 20 0 EHADRM C[C@@H](OC(C)(C)C)[C@H](NCc1ccc(-c2ccccc2F)o1)C(=O)[O-] ZINC000417587914 1040042514 /nfs/dbraw/zinc/04/25/14/1040042514.db2.gz SXJBAYKKSDKHQY-PXAZEXFGSA-N -1 0 349.402 3.832 20 0 EHADRM CC[C@H](Cc1ccc(NCc2ccc(OC)cc2OC)cc1)C(=O)[O-] ZINC000417611928 1040078246 /nfs/dbraw/zinc/07/82/46/1040078246.db2.gz QETPIJXAWLKHBR-OAHLLOKOSA-N -1 0 343.423 3.969 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2ccc(N(C)CC(C)C)cc2)c1 ZINC000512550049 1040079226 /nfs/dbraw/zinc/07/92/26/1040079226.db2.gz YZAITOWPUNLREH-UHFFFAOYSA-N -1 0 340.423 3.939 20 0 EHADRM CC(C)(C)c1ncc(CNc2ccc(C(C)(C)C(=O)[O-])cc2)cn1 ZINC000417631637 1040091286 /nfs/dbraw/zinc/09/12/86/1040091286.db2.gz VYCAVNONCXGUNB-UHFFFAOYSA-N -1 0 327.428 3.748 20 0 EHADRM O=C([N-]OCCCC(F)(F)F)[C@H](c1ccncc1)C1CCCC1 ZINC000899173187 1040123788 /nfs/dbraw/zinc/12/37/88/1040123788.db2.gz LQGGGRQAJMXCKL-AWEZNQCLSA-N -1 0 330.350 3.746 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)c2cccnc12 ZINC000042676893 1040133084 /nfs/dbraw/zinc/13/30/84/1040133084.db2.gz VYPNQHSBUWJCHI-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM CCCc1ccccc1C(=O)Nc1ccn([C@@H](CCC)C(=O)[O-])n1 ZINC000907705435 1040136792 /nfs/dbraw/zinc/13/67/92/1040136792.db2.gz XSJMMOMYJLCJSP-HNNXBMFYSA-N -1 0 329.400 3.514 20 0 EHADRM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000489727043 1040156988 /nfs/dbraw/zinc/15/69/88/1040156988.db2.gz VCYNBZKSRZHTSU-NEPJUHHUSA-N -1 0 349.356 3.845 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2nc(C3CCC3)cs2)C[C@H]1c1ccccc1 ZINC000907767319 1040158649 /nfs/dbraw/zinc/15/86/49/1040158649.db2.gz SKUMZIBTJWXNBQ-UGSOOPFHSA-N -1 0 342.420 3.608 20 0 EHADRM COc1ccc(-c2csc(Nc3ccccc3)n2)c2occ([O-])c21 ZINC000555122102 1040198434 /nfs/dbraw/zinc/19/84/34/1040198434.db2.gz QULIRLWHQCFOBI-UHFFFAOYSA-N -1 0 338.388 3.559 20 0 EHADRM CC[C@H](CN(CC)C(=O)N=c1ccc(C2CC2)n[n-]1)c1ccccc1 ZINC000480981166 1040227844 /nfs/dbraw/zinc/22/78/44/1040227844.db2.gz BNAZCQFYCHTDKH-OAHLLOKOSA-N -1 0 338.455 3.824 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@H]12 ZINC000907937681 1040236859 /nfs/dbraw/zinc/23/68/59/1040236859.db2.gz AYZUKOKBDVOAJC-LQKXBSAESA-N -1 0 349.858 3.524 20 0 EHADRM Cc1ccc2c(ccc(C)c2C(=O)N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@H]23)c1 ZINC000907946911 1040239242 /nfs/dbraw/zinc/23/92/42/1040239242.db2.gz ARIKRSDQDNWLBJ-UOVPBQLFSA-N -1 0 337.419 3.686 20 0 EHADRM O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)c3cc(Cl)cc4ccccc43)[C@@H]2C1 ZINC000907945689 1040239915 /nfs/dbraw/zinc/23/99/15/1040239915.db2.gz AWEXQLUMDAXXOY-LRHZJYQRSA-N -1 0 343.810 3.722 20 0 EHADRM Cc1occc1-c1cc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)no1 ZINC000486564907 1040246252 /nfs/dbraw/zinc/24/62/52/1040246252.db2.gz LUEUYXZOOSXEOF-UHFFFAOYSA-N -1 0 346.408 3.969 20 0 EHADRM CC(C)c1ccc2occ(C(=O)N[C@@H]3C[C@@H]4C[C@H](C(=O)[O-])C[C@H]34)c2c1 ZINC000907966725 1040252666 /nfs/dbraw/zinc/25/26/66/1040252666.db2.gz SIYVMCHNRCSGDZ-AYMQEEERSA-N -1 0 341.407 3.785 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)N1CCc2c1cccc2C(=O)[O-] ZINC000907976375 1040253611 /nfs/dbraw/zinc/25/36/11/1040253611.db2.gz IKMBEAILEVOFOG-UHFFFAOYSA-N -1 0 344.436 3.650 20 0 EHADRM CC(C)C(=O)c1ccc([C@@H](C)C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)cc1 ZINC000908033374 1040273921 /nfs/dbraw/zinc/27/39/21/1040273921.db2.gz MJHOIGZUVXQLFI-CZUORRHYSA-N -1 0 347.455 3.634 20 0 EHADRM Fc1ccccc1[C@@H]1CC[C@@H](N=c2[n-]nc(C(F)(F)F)s2)C1 ZINC000481090171 1040341968 /nfs/dbraw/zinc/34/19/68/1040341968.db2.gz LYMOUOWNETYOFT-RKDXNWHRSA-N -1 0 331.338 3.866 20 0 EHADRM Cc1oc2ccc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3)cc2c1C ZINC000479535199 1040345140 /nfs/dbraw/zinc/34/51/40/1040345140.db2.gz ZVUVUDKZQFJVLR-UHFFFAOYSA-N -1 0 345.376 3.549 20 0 EHADRM O=C([O-])C[C@H](Cc1ccccc1)NC(=O)c1ccsc1C(F)F ZINC000908235657 1040361607 /nfs/dbraw/zinc/36/16/07/1040361607.db2.gz BARQMOINKXIYCE-NSHDSACASA-N -1 0 339.363 3.502 20 0 EHADRM O=C(COc1cc(Cl)ccc1Cl)[N-]OCc1ccccc1 ZINC000031616254 1040388892 /nfs/dbraw/zinc/38/88/92/1040388892.db2.gz FVNRDUFKGQOHTI-UHFFFAOYSA-N -1 0 326.179 3.620 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)c2cccc3cc(O)ccc32)CCC1 ZINC000908334649 1040396148 /nfs/dbraw/zinc/39/61/48/1040396148.db2.gz OZDUAIRVCJBKPU-UHFFFAOYSA-N -1 0 341.407 3.700 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908337257 1040398715 /nfs/dbraw/zinc/39/87/15/1040398715.db2.gz ABIGCZPSZMFQEJ-ZIAGYGMSSA-N -1 0 335.469 3.701 20 0 EHADRM Cc1oc2ccccc2c1CC(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908336592 1040399074 /nfs/dbraw/zinc/39/90/74/1040399074.db2.gz OEAYQNQYIVYVSA-UHFFFAOYSA-N -1 0 343.423 3.825 20 0 EHADRM CC(C)(C(=O)NCCCCC1(C(=O)[O-])CCC1)c1cccc(F)c1 ZINC000908337382 1040399671 /nfs/dbraw/zinc/39/96/71/1040399671.db2.gz CIXRIHYKVJHGGJ-UHFFFAOYSA-N -1 0 335.419 3.645 20 0 EHADRM CC(C)(C)CCCC(=O)Nc1ccc(-n2[n-]c(C3CC3)cc2=O)nc1 ZINC000912867463 1040422911 /nfs/dbraw/zinc/42/29/11/1040422911.db2.gz DEJWINRQJXLFDD-UHFFFAOYSA-N -1 0 342.443 3.739 20 0 EHADRM CC/C=C(\C)C(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000908408150 1040434594 /nfs/dbraw/zinc/43/45/94/1040434594.db2.gz HDPKKTWXGZSVAR-MQSIBISMSA-N -1 0 329.318 3.694 20 0 EHADRM COc1c(NC(=O)[C@@H]2CCCc3sccc32)cccc1C(=O)[O-] ZINC000908502110 1040494591 /nfs/dbraw/zinc/49/45/91/1040494591.db2.gz UMRHMLWMFVVZTN-LLVKDONJSA-N -1 0 331.393 3.514 20 0 EHADRM COc1c(NC(=O)[C@H]2C[C@@H]2c2sccc2C)cccc1C(=O)[O-] ZINC000908506179 1040496959 /nfs/dbraw/zinc/49/69/59/1040496959.db2.gz AIIQLTNMMHLFEU-RYUDHWBXSA-N -1 0 331.393 3.506 20 0 EHADRM COc1c(NC(=O)[C@@H](C)CCc2cccc(F)c2)cccc1C(=O)[O-] ZINC000908506559 1040497211 /nfs/dbraw/zinc/49/72/11/1040497211.db2.gz HNZSDNYEZIGULS-LBPRGKRZSA-N -1 0 345.370 3.740 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CC[C@@H]1CCc2ccccc21)c1cccs1 ZINC000908639677 1040544736 /nfs/dbraw/zinc/54/47/36/1040544736.db2.gz XOWVVCSAVVJNHQ-GOEBONIOSA-N -1 0 343.448 3.890 20 0 EHADRM C[C@H]1CN(C([O-])=Nc2nc(-c3ccccc3)ns2)c2ccccc21 ZINC000555424524 1040568234 /nfs/dbraw/zinc/56/82/34/1040568234.db2.gz HTAYNRFUKURPIF-LBPRGKRZSA-N -1 0 336.420 3.783 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2CCOC3(CCCC3)C2)cc1Cl ZINC000908684524 1040572315 /nfs/dbraw/zinc/57/23/15/1040572315.db2.gz SZLCNGAYNRZFOD-NSHDSACASA-N -1 0 337.803 3.716 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@@H]3CCCc4ccccc43)(CC1)CC2 ZINC000908693464 1040578667 /nfs/dbraw/zinc/57/86/67/1040578667.db2.gz NJONLHZPWBFRDU-PBPGXSGUSA-N -1 0 327.424 3.605 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000908703970 1040598277 /nfs/dbraw/zinc/59/82/77/1040598277.db2.gz DJUVQOBPYGJJHE-AWEZNQCLSA-N -1 0 337.466 3.695 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N(C)Cc1ccccc1C(F)(F)F ZINC000908710833 1040604939 /nfs/dbraw/zinc/60/49/39/1040604939.db2.gz UIPDEFPXIJUFRE-UHFFFAOYSA-N -1 0 341.285 3.577 20 0 EHADRM CCC[C@H](Cc1ccccc1)N=c1[n-]nc(C2CCOCC2)s1 ZINC000549486674 1040628387 /nfs/dbraw/zinc/62/83/87/1040628387.db2.gz DQQVPLQRMNKAQK-MRXNPFEDSA-N -1 0 331.485 3.677 20 0 EHADRM Cc1ccccc1C1(CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC1 ZINC000908773603 1040630370 /nfs/dbraw/zinc/63/03/70/1040630370.db2.gz JVKOTGDTEUKOLO-UHFFFAOYSA-N -1 0 341.451 3.568 20 0 EHADRM O=C([O-])C12CCC(C(=O)NCCCc3ccc(Cl)cc3)(CC1)CC2 ZINC000908771120 1040644805 /nfs/dbraw/zinc/64/48/05/1040644805.db2.gz POIOXRFTRMZNSP-UHFFFAOYSA-N -1 0 349.858 3.814 20 0 EHADRM CC(C)[C@H](NC(=O)c1ccoc1CC(=O)[O-])c1ccccc1Cl ZINC000908805777 1040660348 /nfs/dbraw/zinc/66/03/48/1040660348.db2.gz DLBLLKGOGLVFKU-INIZCTEOSA-N -1 0 335.787 3.687 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000908832120 1040679504 /nfs/dbraw/zinc/67/95/04/1040679504.db2.gz UOTRXJRXKRFZND-DZGCQCFKSA-N -1 0 327.380 3.552 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)sc1Cl ZINC000473477401 1040762246 /nfs/dbraw/zinc/76/22/46/1040762246.db2.gz GRVOAIHHMIJJHV-UHFFFAOYSA-N -1 0 343.857 3.836 20 0 EHADRM CCCCOc1ccc(C(=O)N[C@H](CC(=O)[O-])C2CC2)c(Cl)c1 ZINC000909075654 1040805281 /nfs/dbraw/zinc/80/52/81/1040805281.db2.gz NWTHSAHHAJRFGZ-OAHLLOKOSA-N -1 0 339.819 3.502 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)c2ccc3oc(=O)nc-3[n-]2)c1C ZINC000669116869 1040877867 /nfs/dbraw/zinc/87/78/67/1040877867.db2.gz HBSXCKGZSVTZEA-HNNXBMFYSA-N -1 0 337.379 3.523 20 0 EHADRM CCCc1cc(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)no1 ZINC000909228463 1040885737 /nfs/dbraw/zinc/88/57/37/1040885737.db2.gz BFOCXSIYRQKHKY-UHFFFAOYSA-N -1 0 348.424 3.587 20 0 EHADRM CC(C)(C)c1cnc(CCC(=O)Nc2ccc(CCC(=O)[O-])cc2)o1 ZINC000909283890 1040925101 /nfs/dbraw/zinc/92/51/01/1040925101.db2.gz QNWKVXLDLRLMEB-UHFFFAOYSA-N -1 0 344.411 3.561 20 0 EHADRM C[C@@H](Cc1ccco1)C(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1 ZINC000659158856 1040929039 /nfs/dbraw/zinc/92/90/39/1040929039.db2.gz PCRBVLAHEZABQO-GOEBONIOSA-N -1 0 335.444 3.778 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)C[C@@H](C)c2c[nH]c3ccccc32)C1 ZINC000909699283 1040942151 /nfs/dbraw/zinc/94/21/51/1040942151.db2.gz FRWLMIXVSSFIOG-JLTOFOAXSA-N -1 0 342.439 3.621 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000909727679 1040970335 /nfs/dbraw/zinc/97/03/35/1040970335.db2.gz FXQDWWGPHGFVDH-HNNXBMFYSA-N -1 0 347.798 3.928 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)CCCc1sccc1C ZINC000909732805 1040984206 /nfs/dbraw/zinc/98/42/06/1040984206.db2.gz HMZRYRHOVXJWFE-UHFFFAOYSA-N -1 0 333.409 3.725 20 0 EHADRM COc1cccc([C@H](C)C(=O)Nc2ccc3[n-]c(=S)oc3c2)c1 ZINC000163686976 1040988742 /nfs/dbraw/zinc/98/87/42/1040988742.db2.gz VWTICANGNUKFSX-JTQLQIEISA-N -1 0 328.393 3.867 20 0 EHADRM Cc1cccc(N2CCN(Cc3ccc(Cl)cc3C(=O)[O-])CC2)c1 ZINC001142643436 1040991082 /nfs/dbraw/zinc/99/10/82/1040991082.db2.gz UWIBILOYOGNBST-UHFFFAOYSA-N -1 0 344.842 3.669 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cn(C)nc2C2CCCC2)cc1 ZINC000909834586 1041032627 /nfs/dbraw/zinc/03/26/27/1041032627.db2.gz ZGNMFSSNNICIIB-GFCCVEGCSA-N -1 0 341.411 3.518 20 0 EHADRM O=C([O-])c1cccc2c1CN(C(=O)CCCCc1ccccc1)CC2 ZINC000909866713 1041039264 /nfs/dbraw/zinc/03/92/64/1041039264.db2.gz UUKQPEQDMFETAI-UHFFFAOYSA-N -1 0 337.419 3.683 20 0 EHADRM CC1(C)C[C@@H](c2ccccc2)N(C(=O)c2ccoc2CC(=O)[O-])C1 ZINC000909872098 1041041857 /nfs/dbraw/zinc/04/18/57/1041041857.db2.gz VBMWXNQLZKCRRY-HNNXBMFYSA-N -1 0 327.380 3.520 20 0 EHADRM Cc1ccc(-c2ccncc2)cc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000586833419 1041047133 /nfs/dbraw/zinc/04/71/33/1041047133.db2.gz DPVRYUWOHVHXQO-IRXDYDNUSA-N -1 0 336.391 3.663 20 0 EHADRM CC[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccccc1CCC(=O)[O-] ZINC000909932132 1041068124 /nfs/dbraw/zinc/06/81/24/1041068124.db2.gz KMSGFIRZGFHESL-KRWDZBQOSA-N -1 0 343.398 3.594 20 0 EHADRM CCOc1ccc(NC(=O)C[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000899760103 1041085777 /nfs/dbraw/zinc/08/57/77/1041085777.db2.gz WSUAXRLAMCXGPV-QGZVFWFLSA-N -1 0 327.380 3.591 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1ccccc1Br ZINC000899760133 1041086756 /nfs/dbraw/zinc/08/67/56/1041086756.db2.gz XSDNXXNPHZCACC-JTQLQIEISA-N -1 0 328.206 3.525 20 0 EHADRM CCOc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C(=O)[O-])cc1Cl ZINC000899764607 1041093608 /nfs/dbraw/zinc/09/36/08/1041093608.db2.gz MIVLQLWVVBDFAU-DLXUEXIISA-N -1 0 349.814 3.590 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000899766011 1041095524 /nfs/dbraw/zinc/09/55/24/1041095524.db2.gz QWDSGLUDTHAZEG-SMDDNHRTSA-N -1 0 339.432 3.616 20 0 EHADRM C[C@H](NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-])c1cccc(C2CC2)c1 ZINC000899785378 1041122281 /nfs/dbraw/zinc/12/22/81/1041122281.db2.gz GOOHPPRRRWJRFX-OAIPMTNCSA-N -1 0 339.435 3.654 20 0 EHADRM O=C([O-])c1ccc(Nc2ncc(Br)cc2O)cc1Cl ZINC001175313675 1132634668 /nfs/dbraw/zinc/63/46/68/1132634668.db2.gz IHMWIUDHUNUVGZ-UHFFFAOYSA-N -1 0 343.564 3.645 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C(=O)[O-])cc1 ZINC000899797092 1041131153 /nfs/dbraw/zinc/13/11/53/1041131153.db2.gz XBJZUQYUSQGKIE-KBXCAEBGSA-N -1 0 343.398 3.912 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1cccc(C2CCOCC2)c1 ZINC000899793968 1041143444 /nfs/dbraw/zinc/14/34/44/1041143444.db2.gz DOBZDTCGFBYZML-MRXNPFEDSA-N -1 0 333.428 3.656 20 0 EHADRM O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000571017664 1041144742 /nfs/dbraw/zinc/14/47/42/1041144742.db2.gz RETFUWKICTYCMQ-IRXDYDNUSA-N -1 0 348.406 3.700 20 0 EHADRM CCCOc1ccccc1NC(=O)C[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000899795982 1041146402 /nfs/dbraw/zinc/14/64/02/1041146402.db2.gz GOBFMHPETOSFEQ-MRXNPFEDSA-N -1 0 341.407 3.981 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1CCC[C@H]1c1ccccc1)C2 ZINC000910040270 1041160647 /nfs/dbraw/zinc/16/06/47/1041160647.db2.gz SPORNKXBIIWXHP-RBUKOAKNSA-N -1 0 335.403 3.811 20 0 EHADRM Cc1ccc([C@H](CC(=O)N(Cc2ccco2)C(C)C)C(=O)[O-])cc1 ZINC000899814862 1041161925 /nfs/dbraw/zinc/16/19/25/1041161925.db2.gz UXUDHUUYQWNFIR-KRWDZBQOSA-N -1 0 329.396 3.584 20 0 EHADRM Clc1ccc([C@H](N=c2[n-]nc(-c3ccon3)s2)C2CC2)cc1 ZINC000571113498 1041187228 /nfs/dbraw/zinc/18/72/28/1041187228.db2.gz OZLVJGVKVNFJSR-CYBMUJFWSA-N -1 0 332.816 3.832 20 0 EHADRM O=C([O-])c1csc([C@@H]2CCCN2C(=O)C2[C@H]3CCCCCC[C@H]23)n1 ZINC000910104184 1041192112 /nfs/dbraw/zinc/19/21/12/1041192112.db2.gz POYSRHGDECMNPK-OBJOEFQTSA-N -1 0 348.468 3.721 20 0 EHADRM O=C([O-])c1csc([C@H]2CCCN2C(=O)c2ccsc2Cl)n1 ZINC000910104638 1041192951 /nfs/dbraw/zinc/19/29/51/1041192951.db2.gz SCQCIYCRQYRHMC-SECBINFHSA-N -1 0 342.829 3.534 20 0 EHADRM CC(C)[C@H]1C[C@H](CC(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)CCO1 ZINC000910198561 1041222538 /nfs/dbraw/zinc/22/25/38/1041222538.db2.gz UFDAXJKQQJYPKD-SJKOYZFVSA-N -1 0 344.411 3.646 20 0 EHADRM CCSc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2)c1 ZINC000690130910 1041264580 /nfs/dbraw/zinc/26/45/80/1041264580.db2.gz QAJGBHLKMZVSAM-UHFFFAOYSA-N -1 0 328.846 3.648 20 0 EHADRM Clc1ccc2sc(CCN=c3[n-]nc(C4CC4)s3)nc2c1 ZINC000432047873 1041482057 /nfs/dbraw/zinc/48/20/57/1041482057.db2.gz POGFNBUAGCVHSQ-UHFFFAOYSA-N -1 0 336.873 3.755 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)n1 ZINC000110121364 1041500463 /nfs/dbraw/zinc/50/04/63/1041500463.db2.gz BXXDRRZTSNZBBL-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM Cc1cc(-n2ccc3cc(Br)c(N)cc32)ccc1C(=O)[O-] ZINC001211658621 1041545680 /nfs/dbraw/zinc/54/56/80/1041545680.db2.gz UUSBPQPUUINIOW-UHFFFAOYSA-N -1 0 345.196 3.982 20 0 EHADRM CC(C)c1cc(C(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])nn1C(C)(C)C ZINC000432130983 1041626844 /nfs/dbraw/zinc/62/68/44/1041626844.db2.gz UTUVFUMPRULXKL-YJYMSZOUSA-N -1 0 349.475 3.525 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)c2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000047464327 1041654562 /nfs/dbraw/zinc/65/45/62/1041654562.db2.gz TYSIHOHCOFXHDO-UHFFFAOYSA-N -1 0 346.452 3.608 20 0 EHADRM O=S(=O)([N-]c1cccc2c1OCO2)c1cccc(Cl)c1Cl ZINC000543871830 1041665839 /nfs/dbraw/zinc/66/58/39/1041665839.db2.gz BAHWLTUAXYIPEQ-UHFFFAOYSA-N -1 0 346.191 3.523 20 0 EHADRM Cc1ccc(SCC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000013177467 1041668614 /nfs/dbraw/zinc/66/86/14/1041668614.db2.gz DHSQXNKLGMSRFI-INIZCTEOSA-N -1 0 347.411 3.558 20 0 EHADRM O=S(=O)(Nc1cc(Cl)ccc1F)c1ccc2c(c1)CCC2 ZINC000007403718 1041841282 /nfs/dbraw/zinc/84/12/82/1041841282.db2.gz YQBIWTSENVOAJH-UHFFFAOYSA-N -1 0 325.792 3.769 20 0 EHADRM c1ccc(C[C@H]2CCC[C@@H]2N=c2[n-]nc(C3CCOCC3)s2)cc1 ZINC000549524686 1041890039 /nfs/dbraw/zinc/89/00/39/1041890039.db2.gz NYCLCIUKNDKYCV-SJORKVTESA-N -1 0 343.496 3.677 20 0 EHADRM c1ccc(C[C@@H]2CCC[C@H]2N=c2[n-]nc(C3CCOCC3)s2)cc1 ZINC000549524683 1041890077 /nfs/dbraw/zinc/89/00/77/1041890077.db2.gz NYCLCIUKNDKYCV-DLBZAZTESA-N -1 0 343.496 3.677 20 0 EHADRM CC(C)(C)[C@@H]1CCC[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)CC1 ZINC000613775315 1042007986 /nfs/dbraw/zinc/00/79/86/1042007986.db2.gz WVHDFPNJAAUWST-NEPJUHHUSA-N -1 0 331.416 3.653 20 0 EHADRM CCC(CC)(C(=O)N[C@H](C)CCC(=O)[O-])c1ccc(Cl)cc1 ZINC000236873654 1042290559 /nfs/dbraw/zinc/29/05/59/1042290559.db2.gz CPQISSPRQSBEBS-GFCCVEGCSA-N -1 0 325.836 3.767 20 0 EHADRM CCCOc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1Cl ZINC000048382475 1042328236 /nfs/dbraw/zinc/32/82/36/1042328236.db2.gz KKPIBEGSRUECQC-QWHCGFSZSA-N -1 0 337.803 3.734 20 0 EHADRM CN(Cc1ccc(F)c(F)c1)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184233489 1042331809 /nfs/dbraw/zinc/33/18/09/1042331809.db2.gz FCHYDSLVXWXDSF-UHFFFAOYSA-N -1 0 329.705 3.735 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2cccc(Cl)c2C)n1 ZINC000659182544 1042331971 /nfs/dbraw/zinc/33/19/71/1042331971.db2.gz KZVLOFAEWGTGBY-CYBMUJFWSA-N -1 0 335.791 3.523 20 0 EHADRM O=C(Nc1ccc(-n2cccn2)cc1)c1cc(F)c([O-])c(Cl)c1 ZINC000184250634 1042363819 /nfs/dbraw/zinc/36/38/19/1042363819.db2.gz ATJKCYMMMWHAST-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000663032388 1042367860 /nfs/dbraw/zinc/36/78/60/1042367860.db2.gz CIXXPIFZVSIKEJ-LJQANCHMSA-N -1 0 330.428 3.871 20 0 EHADRM CC(C)(CNC(=O)c1cc(F)c([O-])c(Cl)c1)CC(F)(F)F ZINC000621226218 1042395963 /nfs/dbraw/zinc/39/59/63/1042395963.db2.gz RMDMCVMKQAAIPH-UHFFFAOYSA-N -1 0 327.705 3.893 20 0 EHADRM CCOc1cc(CCCN=c2[n-]nc(C(C)C)s2)ccc1OC ZINC000432239991 1042412708 /nfs/dbraw/zinc/41/27/08/1042412708.db2.gz HZYYACDQVBMYMJ-UHFFFAOYSA-N -1 0 335.473 3.535 20 0 EHADRM CCOc1cccc2cc([C@@H](C)NC(=O)[C@H](C(=O)[O-])C(C)(C)C)oc21 ZINC000663094221 1042443166 /nfs/dbraw/zinc/44/31/66/1042443166.db2.gz HWBPLXQPOCIKPB-IAQYHMDHSA-N -1 0 347.411 3.756 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)c1cc(F)c(Cl)cc1Cl ZINC000136697873 1042451531 /nfs/dbraw/zinc/45/15/31/1042451531.db2.gz AHXQQCCPJFULEP-LLVKDONJSA-N -1 0 336.190 3.752 20 0 EHADRM CC1(C)CCC[C@@H](CC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)C1 ZINC000663133505 1042481267 /nfs/dbraw/zinc/48/12/67/1042481267.db2.gz COQUGRYGCGHWEP-WMLDXEAASA-N -1 0 329.440 3.804 20 0 EHADRM COc1cc(F)c(NC(=O)c2cc(F)c([O-])c(Cl)c2)cc1OC ZINC000184386360 1042497376 /nfs/dbraw/zinc/49/73/76/1042497376.db2.gz XGXMKOCPBUCPFQ-UHFFFAOYSA-N -1 0 343.713 3.593 20 0 EHADRM COc1ccc(N(C(=O)c2c([O-])cccc2F)[C@@H](C)C2CC2)cc1 ZINC000184509429 1042570263 /nfs/dbraw/zinc/57/02/63/1042570263.db2.gz RYXJPXYWMXHKDR-LBPRGKRZSA-N -1 0 329.371 3.985 20 0 EHADRM C[C@H](NC(=O)CC1(C(=O)[O-])CCCCCC1)C1CCC(F)CC1 ZINC000663228901 1042574224 /nfs/dbraw/zinc/57/42/24/1042574224.db2.gz HTUYVQFDLOSSBX-NFOMZHRRSA-N -1 0 327.440 3.835 20 0 EHADRM S=c1[n-]nc(-c2ccco2)n1N=Cc1cccc(Br)c1 ZINC000254744301 1042618591 /nfs/dbraw/zinc/61/85/91/1042618591.db2.gz PUHRWZOIWFADIG-UHFFFAOYSA-N -1 0 349.213 3.845 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)Nc1ccc(-c2ccco2)cc1F)C(=O)[O-] ZINC000601993609 1042654945 /nfs/dbraw/zinc/65/49/45/1042654945.db2.gz SQEPEESKYUDARD-VHSXEESVSA-N -1 0 337.372 3.619 20 0 EHADRM CCOc1ccc(NC(=O)CC2(CC(=O)[O-])CCCCC2)cc1F ZINC000055151298 1042695661 /nfs/dbraw/zinc/69/56/61/1042695661.db2.gz CSWLTEMRPJNVSB-UHFFFAOYSA-N -1 0 337.391 3.978 20 0 EHADRM CCOc1ccccc1[C@@H](CC)NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000186755426 1042699264 /nfs/dbraw/zinc/69/92/64/1042699264.db2.gz KUTYHLQNQKYRAN-OAHLLOKOSA-N -1 0 335.350 3.950 20 0 EHADRM Cc1ccccc1-c1cc(NC(=O)c2cc(F)c([O-])c(F)c2)n(C)n1 ZINC000186845072 1042713654 /nfs/dbraw/zinc/71/36/54/1042713654.db2.gz BAWMJSHASHCZJS-UHFFFAOYSA-N -1 0 343.333 3.632 20 0 EHADRM N#CC(C(=O)c1ccsc1)=C([O-])c1sccc1Br ZINC000125812483 1042760367 /nfs/dbraw/zinc/76/03/67/1042760367.db2.gz VBANCMITSOJCIO-QMMMGPOBSA-N -1 0 340.223 3.777 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc(OCC3CC3)cc2)CCCCC1 ZINC000603510575 1042812602 /nfs/dbraw/zinc/81/26/02/1042812602.db2.gz QGYDQBDPZACTPB-UHFFFAOYSA-N -1 0 331.412 3.839 20 0 EHADRM COc1ccc(-c2ccc(CN=c3[n-]nc(C(F)F)o3)s2)cc1 ZINC000432316463 1042820226 /nfs/dbraw/zinc/82/02/26/1042820226.db2.gz WVLSFIDBLGQRPA-UHFFFAOYSA-N -1 0 337.351 3.778 20 0 EHADRM O=C([O-])CC1(CC(=O)NCc2cccc(Cl)c2Cl)CCC1 ZINC000643341841 1042836962 /nfs/dbraw/zinc/83/69/62/1042836962.db2.gz UDEUIYIDJZJRLF-UHFFFAOYSA-N -1 0 330.211 3.645 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)c2ccc(CSCC)cc2)s1 ZINC000603945680 1042856893 /nfs/dbraw/zinc/85/68/93/1042856893.db2.gz LLLXUJIJKPOXTG-UHFFFAOYSA-N -1 0 335.498 3.808 20 0 EHADRM CC(C)c1ccc([N-]S(=O)(=O)c2c(Cl)nc3ccccn32)cc1 ZINC000319674857 1042928211 /nfs/dbraw/zinc/92/82/11/1042928211.db2.gz IPSJBFZHXBQTBM-UHFFFAOYSA-N -1 0 349.843 3.912 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)c1sc2ccccc2c1Cl ZINC000317120161 1042929350 /nfs/dbraw/zinc/92/93/50/1042929350.db2.gz SHQYFERXUNMAIR-BZNIZROVSA-N -1 0 337.828 3.928 20 0 EHADRM Cc1oc(-c2cccs2)nc1C[N@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000324257355 1043284527 /nfs/dbraw/zinc/28/45/27/1043284527.db2.gz JAHNFCMDKBUGHI-KRWDZBQOSA-N -1 0 334.441 3.644 20 0 EHADRM Cc1ccc(NC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1Cl ZINC000324719804 1043337095 /nfs/dbraw/zinc/33/70/95/1043337095.db2.gz DCJIYSARNBHFTH-MRXNPFEDSA-N -1 0 344.798 3.692 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N3CC(C)=C[C@@H](C)C3)s2)c1 ZINC000432481947 1043434530 /nfs/dbraw/zinc/43/45/30/1043434530.db2.gz XXWZJWPQSVHOCA-CYBMUJFWSA-N -1 0 342.468 3.674 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000327654133 1043586966 /nfs/dbraw/zinc/58/69/66/1043586966.db2.gz WQGSWDVWPQYMDK-MRXNPFEDSA-N -1 0 339.435 3.826 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1)C1CCCCC1 ZINC000432512349 1043675712 /nfs/dbraw/zinc/67/57/12/1043675712.db2.gz GGMTWGFASFEORB-SQGPQFPESA-N -1 0 347.430 3.859 20 0 EHADRM CN(C(=O)Nc1cc(Br)ccc1C(=O)[O-])C1CCCC1 ZINC000040562012 1043757906 /nfs/dbraw/zinc/75/79/06/1043757906.db2.gz FTYFUILJVSCIRM-UHFFFAOYSA-N -1 0 341.205 3.554 20 0 EHADRM N#C/C(=C/c1ccc(Cl)c(F)c1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000067006023 1043765083 /nfs/dbraw/zinc/76/50/83/1043765083.db2.gz LJIXAYCHBNTKGN-GHXNOFRVSA-N -1 0 344.729 3.723 20 0 EHADRM Cc1n[nH]cc1S(=O)(=O)[N-]c1ccccc1Sc1ccccc1 ZINC000319917618 1043794559 /nfs/dbraw/zinc/79/45/59/1043794559.db2.gz DRLYJDYSFGKMIU-UHFFFAOYSA-N -1 0 345.449 3.670 20 0 EHADRM Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000013440042 1043910894 /nfs/dbraw/zinc/91/08/94/1043910894.db2.gz CTTJSMHXCDLXCD-ZDUSSCGKSA-N -1 0 329.421 3.741 20 0 EHADRM CCn1cc(S(=O)(=O)[N-]c2cc(Cl)c(C)c(Cl)c2)nc1C ZINC000348909589 1044056501 /nfs/dbraw/zinc/05/65/01/1044056501.db2.gz SBQDCJDWWIFXQT-UHFFFAOYSA-N -1 0 348.255 3.627 20 0 EHADRM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(Br)o2)cc1 ZINC000544725804 1044407105 /nfs/dbraw/zinc/40/71/05/1044407105.db2.gz MEALAKWCSHDPBC-UHFFFAOYSA-N -1 0 344.230 3.966 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2cc(C)c(F)cc2F)ccc1Cl ZINC000432644585 1044574432 /nfs/dbraw/zinc/57/44/32/1044574432.db2.gz MQSOXGYQTHTTSN-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM O=C([O-])CCC(=O)Nc1ccc(Nc2cc(O)ccc2Cl)cc1 ZINC001213194223 1044709825 /nfs/dbraw/zinc/70/98/25/1044709825.db2.gz GVFFODWQOAPWMP-UHFFFAOYSA-N -1 0 334.759 3.593 20 0 EHADRM Cc1csc([C@@H](NC(=O)c2cc(F)cc(Cl)c2[O-])C2CC2)n1 ZINC000154658156 1125743418 /nfs/dbraw/zinc/74/34/18/1125743418.db2.gz RSVKROYGRPBVIY-LBPRGKRZSA-N -1 0 340.807 3.831 20 0 EHADRM CCOCc1cccc([N-]S(=O)(=O)c2cccc3cccnc32)c1 ZINC000172199849 1126784064 /nfs/dbraw/zinc/78/40/64/1126784064.db2.gz CLAPYHGGODTTKD-UHFFFAOYSA-N -1 0 342.420 3.572 20 0 EHADRM O=S(=O)([N-]c1ccc2scnc2c1)c1cccc2cccnc21 ZINC000172199461 1126784264 /nfs/dbraw/zinc/78/42/64/1126784264.db2.gz OZLCIVLLDJSPIZ-UHFFFAOYSA-N -1 0 341.417 3.645 20 0 EHADRM COc1ccc(C(=O)Nc2cccc(Cl)c2[O-])cc1OC(F)F ZINC000172109953 1126781179 /nfs/dbraw/zinc/78/11/79/1126781179.db2.gz CLMJWEHULWPNEA-UHFFFAOYSA-N -1 0 343.713 3.908 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000172122595 1126781499 /nfs/dbraw/zinc/78/14/99/1126781499.db2.gz XHEOPLPXCXTNIQ-CYBMUJFWSA-N -1 0 329.400 3.575 20 0 EHADRM CC(=C([O-])c1ccc(F)cc1)S(=O)(=O)c1ccccc1Cl ZINC000081906575 1126786166 /nfs/dbraw/zinc/78/61/66/1126786166.db2.gz NKBNHQPSBBJTLJ-SNVBAGLBSA-N -1 0 326.776 3.524 20 0 EHADRM CCC(CC)(CC(=O)NCc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000336866598 1126812827 /nfs/dbraw/zinc/81/28/27/1126812827.db2.gz IWIVWHXXUZPVLH-UHFFFAOYSA-N -1 0 331.334 3.603 20 0 EHADRM O=C(CCC(F)(F)F)N=c1ccc(-c2ccc(Cl)s2)n[n-]1 ZINC000622929291 1126830730 /nfs/dbraw/zinc/83/07/30/1126830730.db2.gz KQYZOIKBAUICHW-UHFFFAOYSA-N -1 0 335.738 3.561 20 0 EHADRM CCOC(=O)c1ccc(NC(=O)c2ccc3[n-]c(=S)oc3c2)cc1 ZINC000072793628 1126883914 /nfs/dbraw/zinc/88/39/14/1126883914.db2.gz KTHYOXQJZLSAJS-UHFFFAOYSA-N -1 0 342.376 3.919 20 0 EHADRM CC(C)[C@@H]1c2ccccc2CCN1C(=O)c1n[n-]c2ccccc2c1=O ZINC000763846303 1126884330 /nfs/dbraw/zinc/88/43/30/1126884330.db2.gz GZMORAHNHUKVTN-LJQANCHMSA-N -1 0 347.418 3.731 20 0 EHADRM C=Cc1ccc(C(=O)NN=c2[n-]c(-c3ccc(Cl)cc3)no2)cc1 ZINC000185446031 1126898917 /nfs/dbraw/zinc/89/89/17/1126898917.db2.gz BLYVVJRDIBDBRI-UHFFFAOYSA-N -1 0 340.770 3.790 20 0 EHADRM CCCOc1cccc(NC(=O)c2cc(F)c(F)c([O-])c2F)c1 ZINC000185049774 1127418651 /nfs/dbraw/zinc/41/86/51/1127418651.db2.gz OGNPXSDPGAFUOX-UHFFFAOYSA-N -1 0 325.286 3.851 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)Nc1ccc2c(c1)CCCO2 ZINC000383815562 1127558969 /nfs/dbraw/zinc/55/89/69/1127558969.db2.gz KYHPXPDSNNBTQU-INIZCTEOSA-N -1 0 346.427 3.557 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(F)c(F)c2[O-])c(C)n1CC(F)(F)F ZINC000654706518 1127728565 /nfs/dbraw/zinc/72/85/65/1127728565.db2.gz CZBHWSYPVXSPGT-UHFFFAOYSA-N -1 0 348.271 3.903 20 0 EHADRM O=C([O-])C/C(=C/c1ccc2c(c1)OCCO2)c1nc2ccccc2o1 ZINC000025126203 1127745915 /nfs/dbraw/zinc/74/59/15/1127745915.db2.gz XVTRLIYBTMFWKM-LCYFTJDESA-N -1 0 337.331 3.614 20 0 EHADRM O=S(=O)([N-]c1csc(-c2ccccc2)n1)c1ccc(F)cc1 ZINC000671663498 1127773672 /nfs/dbraw/zinc/77/36/72/1127773672.db2.gz QWJVUXMUYPYQLD-UHFFFAOYSA-N -1 0 334.397 3.750 20 0 EHADRM CCc1cc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)no1 ZINC000671668022 1127799916 /nfs/dbraw/zinc/79/99/16/1127799916.db2.gz CZDOYRYOERQTNE-UHFFFAOYSA-N -1 0 328.393 3.705 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cccc3cccnc32)cc1Cl ZINC000032588906 1127853721 /nfs/dbraw/zinc/85/37/21/1127853721.db2.gz YZNJXRZNXXHNQV-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000671688337 1127904350 /nfs/dbraw/zinc/90/43/50/1127904350.db2.gz MHJXLUYIIQABGI-UHOFOFEASA-N -1 0 341.411 3.575 20 0 EHADRM CC(C)[C@@H](N=c1[n-]nc(C2CCOCC2)s1)c1ccc(F)cc1 ZINC000338642088 1127967263 /nfs/dbraw/zinc/96/72/63/1127967263.db2.gz PLNPGEQIABWYLY-OAHLLOKOSA-N -1 0 335.448 3.802 20 0 EHADRM O=S(=O)([N-][C@H]1CCC(F)(F)C1)c1c(Cl)cc(F)cc1Cl ZINC000684762588 1128072431 /nfs/dbraw/zinc/07/24/31/1128072431.db2.gz JODSHBPVAUKDRR-ZETCQYMHSA-N -1 0 348.173 3.599 20 0 EHADRM CCOCCOCc1cccc(NC(=O)c2c(C)cccc2O)c1 ZINC000624343610 1128160264 /nfs/dbraw/zinc/16/02/64/1128160264.db2.gz XQLQKKLTYNQVIP-UHFFFAOYSA-N -1 0 329.396 3.506 20 0 EHADRM CC(C)Oc1ccc(C#N)cc1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000067456269 1128241581 /nfs/dbraw/zinc/24/15/81/1128241581.db2.gz DHYTUFYRRBASHY-UHFFFAOYSA-N -1 0 344.411 3.709 20 0 EHADRM O=C(Nc1cc(Cl)c2c(c1)OCCO2)c1ccc(Cl)c([O-])c1 ZINC001649106378 1128270243 /nfs/dbraw/zinc/27/02/43/1128270243.db2.gz PHGHKUOMWBQCLP-UHFFFAOYSA-N -1 0 340.162 3.723 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(Cl)c([O-])c1)c1cccc(OC)c1OC ZINC001649110454 1128283242 /nfs/dbraw/zinc/28/32/42/1128283242.db2.gz CEARZQLTMMOEBC-CQSZACIVSA-N -1 0 349.814 3.944 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CC[C@@H](Oc2ccccc2)C1 ZINC000073726361 1128327535 /nfs/dbraw/zinc/32/75/35/1128327535.db2.gz PQNRWPOZCZIIAI-CQSZACIVSA-N -1 0 340.404 3.784 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@H](c2ccco2)c2ccccc2)CCCC1 ZINC000074390776 1128340537 /nfs/dbraw/zinc/34/05/37/1128340537.db2.gz LKKWTYDVFMZZOL-KRWDZBQOSA-N -1 0 327.380 3.520 20 0 EHADRM O=C(NCCc1ccc(F)cc1F)c1ccc2[n-]c(=S)oc2c1 ZINC000073598113 1128425694 /nfs/dbraw/zinc/42/56/94/1128425694.db2.gz YBFVFJVVJCIXJZ-UHFFFAOYSA-N -1 0 334.347 3.741 20 0 EHADRM CCOc1ccc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)cc1Cl ZINC000055150109 1128507022 /nfs/dbraw/zinc/50/70/22/1128507022.db2.gz XIHJRFIFBTXMET-CQSZACIVSA-N -1 0 347.798 3.936 20 0 EHADRM COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000106722734 1128509088 /nfs/dbraw/zinc/50/90/88/1128509088.db2.gz FQHYCVSQQNNSDI-UHFFFAOYSA-N -1 0 335.425 3.592 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc2nsnc2c1 ZINC000765858041 1128618845 /nfs/dbraw/zinc/61/88/45/1128618845.db2.gz FIRXUGVSRJRYCO-UHFFFAOYSA-N -1 0 340.191 3.956 20 0 EHADRM CC(C)n1cc2c(n1)[C@H](NC(=O)c1ccc([O-])c(Cl)c1)CCC2 ZINC000765863338 1128622474 /nfs/dbraw/zinc/62/24/74/1128622474.db2.gz NNKJKEPYXRLBMS-CQSZACIVSA-N -1 0 333.819 3.630 20 0 EHADRM N#Cc1cc(F)c(NCCCCCC(=O)[O-])cc1Br ZINC000387917053 1128648057 /nfs/dbraw/zinc/64/80/57/1128648057.db2.gz AXHIIGALGPNKCM-UHFFFAOYSA-N -1 0 329.169 3.517 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000327292230 1128742157 /nfs/dbraw/zinc/74/21/57/1128742157.db2.gz NEOZPZRTNWAHJG-DFBGVHRSSA-N -1 0 345.370 3.738 20 0 EHADRM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2cccc(F)c2C)c1 ZINC000075082589 1128841288 /nfs/dbraw/zinc/84/12/88/1128841288.db2.gz AWHQXOCVCJFARD-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000007052807 1128845708 /nfs/dbraw/zinc/84/57/08/1128845708.db2.gz WQEGXBMAQJLGKY-UHFFFAOYSA-N -1 0 325.817 3.930 20 0 EHADRM Cn1nc(C2CCC2)cc1[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000128762030 1120033314 /nfs/dbraw/zinc/03/33/14/1120033314.db2.gz WKCZJMMMAMSJKU-UHFFFAOYSA-N -1 0 341.436 3.642 20 0 EHADRM COc1cccc(C(=O)CCCC(=O)Nc2cccc(F)c2O)c1 ZINC001648850318 1120053634 /nfs/dbraw/zinc/05/36/34/1120053634.db2.gz GNJMCYGPUQWUQY-UHFFFAOYSA-N -1 0 331.343 3.532 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)Cc1ccc(Cl)s1)c1ccccc1 ZINC000263182441 1120253518 /nfs/dbraw/zinc/25/35/18/1120253518.db2.gz RNPLGSADZCKGHP-CYBMUJFWSA-N -1 0 337.828 3.666 20 0 EHADRM O=C([O-])[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000013250255 1128917242 /nfs/dbraw/zinc/91/72/42/1128917242.db2.gz JNIRNGOYYAICBI-AWEZNQCLSA-N -1 0 337.297 3.902 20 0 EHADRM COc1cc(C)c([N-]S(=O)(=O)c2ccc(Cl)s2)cc1F ZINC000187066764 1120485828 /nfs/dbraw/zinc/48/58/28/1120485828.db2.gz SWDWGHARUVGDQM-UHFFFAOYSA-N -1 0 335.809 3.658 20 0 EHADRM CCc1c([N-]S(=O)(=O)c2cccs2)cnn1-c1ccccc1C ZINC000189456504 1120587144 /nfs/dbraw/zinc/58/71/44/1120587144.db2.gz MJRDUVODKIWWID-UHFFFAOYSA-N -1 0 347.465 3.605 20 0 EHADRM CC[C@H](C)[C@H](C)N(C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)C1CC1 ZINC000172780867 1128930222 /nfs/dbraw/zinc/93/02/22/1128930222.db2.gz CDMYHZWEPFHPEF-GJZGRUSLSA-N -1 0 341.455 3.513 20 0 EHADRM Cn1ccc2cccc([N-]S(=O)(=O)c3c[nH]c4cccc(F)c43)c21 ZINC000190855082 1120652562 /nfs/dbraw/zinc/65/25/62/1120652562.db2.gz LFRWORXBORIFNM-UHFFFAOYSA-N -1 0 343.383 3.600 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1 ZINC000226600193 1120823036 /nfs/dbraw/zinc/82/30/36/1120823036.db2.gz SYKLLBZSPGBCFX-PVAVHDDUSA-N -1 0 329.440 3.842 20 0 EHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000761744139 1120867520 /nfs/dbraw/zinc/86/75/20/1120867520.db2.gz KZPQNHDINIHSIV-MOJYJUKOSA-N -1 0 343.810 3.728 20 0 EHADRM O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1ncccc1[O-] ZINC000494926502 1120907381 /nfs/dbraw/zinc/90/73/81/1120907381.db2.gz YBVGXOOJLSYEGH-UHFFFAOYSA-N -1 0 346.692 3.634 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1ccc(C(C)(C)C)cc1 ZINC000914840505 1120999221 /nfs/dbraw/zinc/99/92/21/1120999221.db2.gz HKCWQWUIOJMAAN-LBPRGKRZSA-N -1 0 326.396 3.568 20 0 EHADRM Cc1c(C(=O)NCCCCCCCC(=O)[O-])cnc2ccccc12 ZINC000761969220 1121024766 /nfs/dbraw/zinc/02/47/66/1121024766.db2.gz HTRDOBGRFVNBKQ-UHFFFAOYSA-N -1 0 328.412 3.698 20 0 EHADRM Cc1cccnc1-c1noc(-c2cccc(Br)c2[O-])n1 ZINC000547025147 1121059139 /nfs/dbraw/zinc/05/91/39/1121059139.db2.gz PVKZEGKQFXJKCX-UHFFFAOYSA-N -1 0 332.157 3.575 20 0 EHADRM CCC(CC)[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000762081999 1121098414 /nfs/dbraw/zinc/09/84/14/1121098414.db2.gz QNNHRTWBQMNPBY-SNVBAGLBSA-N -1 0 349.855 3.665 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000232763954 1121150277 /nfs/dbraw/zinc/15/02/77/1121150277.db2.gz CLBDKODJQWDWIS-OAHLLOKOSA-N -1 0 330.211 3.566 20 0 EHADRM CCCN(CCC)C(=O)CCCC(=O)Nc1cccc(Cl)c1[O-] ZINC000077011224 1128974282 /nfs/dbraw/zinc/97/42/82/1128974282.db2.gz BVRMNCAUSUNSMY-UHFFFAOYSA-N -1 0 340.851 3.803 20 0 EHADRM O=C([N-]CCCSc1ccccc1Br)C(F)(F)F ZINC000762773197 1121442208 /nfs/dbraw/zinc/44/22/08/1121442208.db2.gz RWKJJQBSPAKFBC-UHFFFAOYSA-N -1 0 342.180 3.610 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])Cc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000236860967 1121467056 /nfs/dbraw/zinc/46/70/56/1121467056.db2.gz CRJJKPDEBUWENW-CYBMUJFWSA-N -1 0 331.416 3.545 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)cc1C(=O)[O-] ZINC000237695531 1121491823 /nfs/dbraw/zinc/49/18/23/1121491823.db2.gz YBIGPKCHAKGDKR-HUUCEWRRSA-N -1 0 331.318 3.714 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)[C@H]2CSc3ccccc32)cc1 ZINC000237949679 1121499350 /nfs/dbraw/zinc/49/93/50/1121499350.db2.gz BQFODJSAXYOWJN-VSGCLNPGSA-N -1 0 325.389 3.612 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000762962085 1121614354 /nfs/dbraw/zinc/61/43/54/1121614354.db2.gz IQSOFWNVYPIDJN-STQMWFEESA-N -1 0 328.368 3.998 20 0 EHADRM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000055652264 1121851088 /nfs/dbraw/zinc/85/10/88/1121851088.db2.gz WOWGKIRVTILXTB-UHFFFAOYSA-N -1 0 341.379 3.861 20 0 EHADRM Cc1oc(CN(C)C(=O)CCc2ccc(Cl)s2)cc1C(=O)[O-] ZINC000262532724 1121905776 /nfs/dbraw/zinc/90/57/76/1121905776.db2.gz SWLXAQBOFMLNSI-UHFFFAOYSA-N -1 0 341.816 3.592 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCc1ccccc1Cl)c1cccs1 ZINC000013388248 1129020538 /nfs/dbraw/zinc/02/05/38/1129020538.db2.gz UQIYWALPEAWJIU-ZDUSSCGKSA-N -1 0 337.828 3.666 20 0 EHADRM O=C([O-])CCOc1ccc(/C=C2\C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000915981258 1122006940 /nfs/dbraw/zinc/00/69/40/1122006940.db2.gz NCIGPDDWORPFBM-DHDCSXOGSA-N -1 0 343.766 3.686 20 0 EHADRM CCn1ncc2ccc([N-]S(=O)(=O)c3cc(C)ccc3Cl)cc21 ZINC000124230710 1122278737 /nfs/dbraw/zinc/27/87/37/1122278737.db2.gz SPKJFTZUAKLPIA-UHFFFAOYSA-N -1 0 349.843 3.819 20 0 EHADRM Cc1ccoc1C(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000916813090 1122353815 /nfs/dbraw/zinc/35/38/15/1122353815.db2.gz CVTMQRKZJVGILR-UHFFFAOYSA-N -1 0 347.436 3.754 20 0 EHADRM COc1ccc2c(c1)nc(SCc1nnn[n-]1)cc2-c1ccccc1 ZINC000497159291 1122355259 /nfs/dbraw/zinc/35/52/59/1122355259.db2.gz FUEGTVRTAFPDDW-UHFFFAOYSA-N -1 0 349.419 3.716 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000630151837 1122553125 /nfs/dbraw/zinc/55/31/25/1122553125.db2.gz CUPAMTSPRMDNTH-HNNXBMFYSA-N -1 0 329.396 3.770 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c1C ZINC000262703218 1122736582 /nfs/dbraw/zinc/73/65/82/1122736582.db2.gz ISCMJSYVZFXXCJ-JFIYKMOQSA-N -1 0 329.440 3.858 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)c2ccc(-c3cnco3)cc2)cc1 ZINC000918595285 1122861277 /nfs/dbraw/zinc/86/12/77/1122861277.db2.gz OZQSFUJJEGCOCV-KMKOMSMNSA-N -1 0 334.331 3.692 20 0 EHADRM O=S(=O)([N-]c1cc(F)ccc1O)c1cc(Cl)cc(Cl)c1 ZINC000070332976 1122867219 /nfs/dbraw/zinc/86/72/19/1122867219.db2.gz HNCICAFZZBODSU-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM CCc1nc([N-]S(=O)(=O)c2ccc(C)c3ncccc23)sc1C ZINC000556244953 1122895037 /nfs/dbraw/zinc/89/50/37/1122895037.db2.gz JAMIKSFLHWJXNA-UHFFFAOYSA-N -1 0 347.465 3.671 20 0 EHADRM CN(C[C@@H]1CCCO1)C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000130659071 1122983491 /nfs/dbraw/zinc/98/34/91/1122983491.db2.gz WTDCTEUMTCPAKR-HNNXBMFYSA-N -1 0 345.826 3.964 20 0 EHADRM Cc1cc(/C=C/C(=O)NCC(C)(C)C(=O)[O-])c(C)n1C1CCCCC1 ZINC000237537215 1122994206 /nfs/dbraw/zinc/99/42/06/1122994206.db2.gz AMTMIYAVYCPBNO-ZHACJKMWSA-N -1 0 346.471 3.850 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cnn(C(C)(C)C)c2)c1C ZINC000065834029 1129095792 /nfs/dbraw/zinc/09/57/92/1129095792.db2.gz OJRWYHJFTHGNDF-UHFFFAOYSA-N -1 0 335.473 3.673 20 0 EHADRM O=S(=O)([O-])c1cccc(-c2cc(Cl)cc(C(F)(F)F)c2)n1 ZINC001236198979 1123046310 /nfs/dbraw/zinc/04/63/10/1123046310.db2.gz NVFWSHLWDWWEFB-UHFFFAOYSA-N -1 0 337.706 3.668 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)c3cc(=O)c4ccccc4[n-]3)cc2)co1 ZINC000919702540 1123128353 /nfs/dbraw/zinc/12/83/53/1123128353.db2.gz RDAIFGSGFVUIFN-UHFFFAOYSA-N -1 0 345.358 3.744 20 0 EHADRM COc1ccc(CN(C)C(=O)c2cc(F)cc(Cl)c2[O-])cc1C ZINC000132464017 1123232442 /nfs/dbraw/zinc/23/24/42/1123232442.db2.gz HOLKHHHXFLOCKW-UHFFFAOYSA-N -1 0 337.778 3.774 20 0 EHADRM Cc1c(C(C)C)[nH][nH]c1=NC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000649231128 1123269359 /nfs/dbraw/zinc/26/93/59/1123269359.db2.gz IROJAOOCZACJKW-UHFFFAOYSA-N -1 0 328.199 3.528 20 0 EHADRM COc1ccc(F)cc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000132674039 1123274917 /nfs/dbraw/zinc/27/49/17/1123274917.db2.gz OKFLRHURGLQBTL-UHFFFAOYSA-N -1 0 349.305 3.654 20 0 EHADRM O=C([N-]c1nnc(-c2ccsc2)s1)c1scnc1Cl ZINC000920082457 1123282215 /nfs/dbraw/zinc/28/22/15/1123282215.db2.gz FFCSFEZCKOLLRW-UHFFFAOYSA-N -1 0 328.831 3.629 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)[C@@]2(C)CCc3ccccc32)cc1)C(=O)[O-] ZINC000649247695 1123378751 /nfs/dbraw/zinc/37/87/51/1123378751.db2.gz FSLUWGFBJAINRW-QKKBWIMNSA-N -1 0 337.419 3.792 20 0 EHADRM CC[C@@H]1c2ccccc2CCN1C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000649247019 1123382242 /nfs/dbraw/zinc/38/22/42/1123382242.db2.gz DADWABQJBFLIPB-JFUPDXTOSA-N -1 0 329.440 3.804 20 0 EHADRM CCC(CC)(CNC(=O)[C@H](C)Oc1cccc(C(C)C)c1)C(=O)[O-] ZINC000236866244 1123478356 /nfs/dbraw/zinc/47/83/56/1123478356.db2.gz OOJNDMGIIZAHFQ-AWEZNQCLSA-N -1 0 335.444 3.585 20 0 EHADRM CCC[C@H](NC(=O)C[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000013468018 1129125606 /nfs/dbraw/zinc/12/56/06/1129125606.db2.gz FCYWJCLKAQZVLR-ROUUACIJSA-N -1 0 325.408 3.903 20 0 EHADRM CC[C@@H](CNC(=O)c1cc(-c2ccc(OC)cc2)c(C)s1)C(=O)[O-] ZINC000649264766 1123512765 /nfs/dbraw/zinc/51/27/65/1123512765.db2.gz HWWYVTOTAUAKDB-LBPRGKRZSA-N -1 0 347.436 3.573 20 0 EHADRM O=C(N[C@H]1CCCOc2cc(F)ccc21)c1cccc(Cl)c1[O-] ZINC001127553625 1123542531 /nfs/dbraw/zinc/54/25/31/1123542531.db2.gz QVWCEGRNVQKQMO-AWEZNQCLSA-N -1 0 335.762 3.828 20 0 EHADRM C[C@@H](OCC1CC1)C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000174920114 1123550687 /nfs/dbraw/zinc/55/06/87/1123550687.db2.gz CHPJECPNXLQTKE-SSDOTTSWSA-N -1 0 348.624 3.562 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2C[C@]23CCCc2ccccc23)cc1C(=O)[O-] ZINC000237934448 1123550814 /nfs/dbraw/zinc/55/08/14/1123550814.db2.gz PJNFXAMQHZHQJD-NQIIRXRSSA-N -1 0 335.403 3.926 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)[C@@H]2C[C@H]2c2c(F)cccc2Cl)c1 ZINC000238216566 1123571058 /nfs/dbraw/zinc/57/10/58/1123571058.db2.gz RKSIOELHESJMQT-CHWSQXEVSA-N -1 0 347.773 3.597 20 0 EHADRM COc1ccc(C(=O)[O-])cc1NCc1sccc1Br ZINC000135506459 1123623699 /nfs/dbraw/zinc/62/36/99/1123623699.db2.gz OYRJGJKLZBEQQE-UHFFFAOYSA-N -1 0 342.214 3.830 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1cccc(Cl)c1Cl ZINC000135640174 1123633991 /nfs/dbraw/zinc/63/39/91/1123633991.db2.gz VEUJZNOVRNGGCJ-UHFFFAOYSA-N -1 0 338.237 3.864 20 0 EHADRM CC(C)NC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000078769739 1123650805 /nfs/dbraw/zinc/65/08/05/1123650805.db2.gz XTVAGWDCPKYZKE-UHFFFAOYSA-N -1 0 347.802 3.828 20 0 EHADRM Cc1ccccc1CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000064696109 1123717916 /nfs/dbraw/zinc/71/79/16/1123717916.db2.gz MAZDQJCHFFOLKU-UHFFFAOYSA-N -1 0 341.791 3.675 20 0 EHADRM Cc1cncc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)c1 ZINC000080299354 1123749943 /nfs/dbraw/zinc/74/99/43/1123749943.db2.gz GZXWZSGOCUSSTG-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM O=C(Nc1cnn(Cc2ccccc2)c1)c1ccc([O-])c(Cl)c1 ZINC000080422879 1123753792 /nfs/dbraw/zinc/75/37/92/1123753792.db2.gz MTGILHXNSSUGII-UHFFFAOYSA-N -1 0 327.771 3.543 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC[C@H](c2ccccn2)C1 ZINC000615259809 1123765822 /nfs/dbraw/zinc/76/58/22/1123765822.db2.gz PUQATAPHEDYZQH-NSHDSACASA-N -1 0 334.778 3.600 20 0 EHADRM CC(C)(C)C(=O)CCCC(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000615280241 1123770750 /nfs/dbraw/zinc/77/07/50/1123770750.db2.gz BREGUKNCGWPARV-UHFFFAOYSA-N -1 0 329.400 3.506 20 0 EHADRM O=C(C[C@@]12CCCC[C@@H]1C2(F)F)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000615281680 1123772556 /nfs/dbraw/zinc/77/25/56/1123772556.db2.gz VFGVDYWBFAPHOM-SJCJKPOMSA-N -1 0 347.365 3.936 20 0 EHADRM Cc1cc2[nH]c(C(=O)N[C@H](CC(=O)[O-])c3cccs3)cc2c(C)c1 ZINC000237623021 1123793584 /nfs/dbraw/zinc/79/35/84/1123793584.db2.gz XZINSISWEACXPC-CQSZACIVSA-N -1 0 342.420 3.792 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccco2)s1)N(CC1CCCCC1)C1CC1 ZINC000615515634 1123819453 /nfs/dbraw/zinc/81/94/53/1123819453.db2.gz HHLAXEFUOJTGEY-UHFFFAOYSA-N -1 0 346.456 3.797 20 0 EHADRM Cc1cc2scc(CC(=O)NCCCCCC(=O)[O-])c2s1 ZINC000901439789 1123826639 /nfs/dbraw/zinc/82/66/39/1123826639.db2.gz WUWLNUKOOAFNQZ-UHFFFAOYSA-N -1 0 325.455 3.575 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)n1 ZINC000081658202 1123871594 /nfs/dbraw/zinc/87/15/94/1123871594.db2.gz NLFADHXCZDQLKR-DOMZBBRYSA-N -1 0 345.418 3.676 20 0 EHADRM Cc1ccc2c(CC(=O)NCCCCCCCC(=O)[O-])c[nH]c2c1 ZINC000237820928 1123872408 /nfs/dbraw/zinc/87/24/08/1123872408.db2.gz LODVTSXZOLENRF-UHFFFAOYSA-N -1 0 330.428 3.560 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1 ZINC000237941018 1123917688 /nfs/dbraw/zinc/91/76/88/1123917688.db2.gz SUBXVUWDJYATPR-KPKJPENVSA-N -1 0 334.375 3.837 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-] ZINC000263489086 1123948372 /nfs/dbraw/zinc/94/83/72/1123948372.db2.gz WGQUMORELRLLNI-OCCSQVGLSA-N -1 0 333.359 3.644 20 0 EHADRM CCN(C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C1CC(C)(C)C1 ZINC000616303542 1123979798 /nfs/dbraw/zinc/97/97/98/1123979798.db2.gz ZLXDWUNCHCAXEJ-UHFFFAOYSA-N -1 0 347.846 3.882 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC000263499614 1123991561 /nfs/dbraw/zinc/99/15/61/1123991561.db2.gz YRESRWOLYPCHAO-GJYPPUQNSA-N -1 0 339.435 3.628 20 0 EHADRM CC(C)CN(C(=O)c1cc(=O)n(C)[n-]1)[C@@H](C)c1ccccc1Cl ZINC000616822250 1124040827 /nfs/dbraw/zinc/04/08/27/1124040827.db2.gz RKUCMEUOLKHWQD-LBPRGKRZSA-N -1 0 335.835 3.639 20 0 EHADRM CC(C)CN(C(=O)c1cc(=O)n(C)[n-]1)[C@H](C)c1ccccc1Cl ZINC000616822249 1124040944 /nfs/dbraw/zinc/04/09/44/1124040944.db2.gz RKUCMEUOLKHWQD-GFCCVEGCSA-N -1 0 335.835 3.639 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)N=c1[n-]nc(C)s1)c1ccc(Cl)cc1 ZINC000466073778 1129176290 /nfs/dbraw/zinc/17/62/90/1129176290.db2.gz ZXMWAIZQOTWFFR-NOZJJQNGSA-N -1 0 338.864 3.831 20 0 EHADRM Cc1ccc(OCCC(=O)N=c2cc(-c3cccs3)[nH][nH]2)cc1C ZINC000617365684 1124499823 /nfs/dbraw/zinc/49/98/23/1124499823.db2.gz FKZFJLATJAZZGR-UHFFFAOYSA-N -1 0 341.436 3.585 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CCC(=O)N=c2cc(-c3cccs3)[nH][nH]2)o1 ZINC000617365414 1124500273 /nfs/dbraw/zinc/50/02/73/1124500273.db2.gz NPDDZSNZGJUEPR-DGCLKSJQSA-N -1 0 341.436 3.848 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)C1(c2ccccc2)CCCC1 ZINC000263571505 1124539114 /nfs/dbraw/zinc/53/91/14/1124539114.db2.gz JLVBNKSTIFKIOU-ULQDDVLXSA-N -1 0 343.467 3.894 20 0 EHADRM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2cc3ccccc3o2)cc1 ZINC000084920233 1124605070 /nfs/dbraw/zinc/60/50/70/1124605070.db2.gz JUTCYKYXPZBBNC-UHFFFAOYSA-N -1 0 344.392 3.582 20 0 EHADRM CC(C)[C@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(F)cc1F ZINC000263574623 1124639155 /nfs/dbraw/zinc/63/91/55/1124639155.db2.gz NTOMKSCQAWXXJK-HSMVNMDESA-N -1 0 339.382 3.669 20 0 EHADRM CC1(C(=O)[N-]S(=O)(=O)c2ccc(F)c3ncccc23)CCCC1 ZINC000069584036 1124907240 /nfs/dbraw/zinc/90/72/40/1124907240.db2.gz ANJCVQLOTQQYOI-UHFFFAOYSA-N -1 0 336.388 3.599 20 0 EHADRM CN(Cc1cccs1)C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000618492215 1125097094 /nfs/dbraw/zinc/09/70/94/1125097094.db2.gz YIWWBESPGVXCHA-UHFFFAOYSA-N -1 0 347.827 3.565 20 0 EHADRM O=C(/C=C\C1CCCC1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000842673298 1125106995 /nfs/dbraw/zinc/10/69/95/1125106995.db2.gz ITSQIGYDNDYBCB-YVMONPNESA-N -1 0 348.251 3.545 20 0 EHADRM C[C@@H](C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1nccs1 ZINC000182168916 1125190432 /nfs/dbraw/zinc/19/04/32/1125190432.db2.gz MWBJUXXLGICFMF-CUXJQWCSSA-N -1 0 325.777 3.633 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000619200697 1125314750 /nfs/dbraw/zinc/31/47/50/1125314750.db2.gz DAQSVRMHFZLOTK-ABAIWWIYSA-N -1 0 341.810 3.606 20 0 EHADRM O=S(=O)([N-]c1ccc(O)c(Cl)c1)c1ccc(Cl)cc1F ZINC000182491833 1125318389 /nfs/dbraw/zinc/31/83/89/1125318389.db2.gz IYKCABJOGHMCIV-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2ccc3ccc(Br)cc3n2)C1 ZINC000422559522 1129201172 /nfs/dbraw/zinc/20/11/72/1129201172.db2.gz SGBUJRPBJNDXPH-PWSUYJOCSA-N -1 0 349.228 3.544 20 0 EHADRM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2cc(F)ccc2C)c1 ZINC000078969213 1129217688 /nfs/dbraw/zinc/21/76/88/1129217688.db2.gz DALCLWAQUJGYSM-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM O=S(=O)([N-][C@H](C1CCCCC1)C(F)(F)F)c1cccs1 ZINC000543170127 1129306247 /nfs/dbraw/zinc/30/62/47/1129306247.db2.gz PJCNYRJARQUPJL-LLVKDONJSA-N -1 0 327.393 3.538 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2nc(COC)cs2)cc1 ZINC000115928179 1129312101 /nfs/dbraw/zinc/31/21/01/1129312101.db2.gz ZKPZQLYTFVKCNI-NSHDSACASA-N -1 0 340.470 3.604 20 0 EHADRM CCN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000466344670 1129393659 /nfs/dbraw/zinc/39/36/59/1129393659.db2.gz BGZBZWCRCSIKMS-UHFFFAOYSA-N -1 0 347.436 3.525 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000358583030 1129400423 /nfs/dbraw/zinc/40/04/23/1129400423.db2.gz DLBLDXZCTOOHJB-KRWDZBQOSA-N -1 0 327.355 3.810 20 0 EHADRM Oc1ccc2c(c1)[C@H](NCc1cccc(O)c1Br)CC2 ZINC000657692786 1129461643 /nfs/dbraw/zinc/46/16/43/1129461643.db2.gz DLNQDLQGLOIRFF-CQSZACIVSA-N -1 0 334.213 3.637 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccccc2)cn1)c1ccc(F)c(F)c1 ZINC000069676188 1129473369 /nfs/dbraw/zinc/47/33/69/1129473369.db2.gz UFEBMFPEMKKESK-UHFFFAOYSA-N -1 0 346.358 3.828 20 0 EHADRM Cc1ccc(NC(=O)CCCOc2ccc(F)cc2F)c(C(=O)[O-])c1 ZINC000543446136 1129491348 /nfs/dbraw/zinc/49/13/48/1129491348.db2.gz BXFRWMYUGBTMMV-UHFFFAOYSA-N -1 0 349.333 3.769 20 0 EHADRM Cc1cccc(C)c1OCCNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000735850815 1131385266 /nfs/dbraw/zinc/38/52/66/1131385266.db2.gz UJKVHKXNRICCFV-UHFFFAOYSA-N -1 0 342.420 3.542 20 0 EHADRM CC(C)(CNC(=O)c1ccc2[n-]c(=S)oc2c1)c1ccccc1 ZINC000735844704 1131383000 /nfs/dbraw/zinc/38/30/00/1131383000.db2.gz JYWSMQZAZULWBJ-UHFFFAOYSA-N -1 0 326.421 3.824 20 0 EHADRM C[C@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(F)(F)F ZINC000673576032 1129579043 /nfs/dbraw/zinc/57/90/43/1129579043.db2.gz AQQWJVFMFQJZNR-LURJTMIESA-N -1 0 343.779 3.784 20 0 EHADRM CCCCCc1nnc(NC(=O)c2ccc3[n-]c(=S)oc3c2)s1 ZINC000735847186 1131384150 /nfs/dbraw/zinc/38/41/50/1131384150.db2.gz MSCIREYDKRDMCQ-UHFFFAOYSA-N -1 0 348.453 3.953 20 0 EHADRM C[C@@H](CNC(=O)c1c(O)cnc2ccc(Cl)cc21)c1nccs1 ZINC000338867846 1129604852 /nfs/dbraw/zinc/60/48/52/1129604852.db2.gz GFIULTKBLNNRHM-VIFPVBQESA-N -1 0 347.827 3.584 20 0 EHADRM Cc1ccc(CN=c2[n-]nc(SCc3ccccc3)s2)cn1 ZINC000361444009 1129723426 /nfs/dbraw/zinc/72/34/26/1129723426.db2.gz XREFBMUBOPFGTF-UHFFFAOYSA-N -1 0 328.466 3.568 20 0 EHADRM O=C(COC(=O)c1c(F)cc([O-])cc1F)c1ccc2c(c1)CCCC2 ZINC000735950177 1131393470 /nfs/dbraw/zinc/39/34/70/1131393470.db2.gz LCSVVLDEBRYXFF-UHFFFAOYSA-N -1 0 346.329 3.589 20 0 EHADRM CCC(CC)(COCc1ccccc1)C(=O)[N-]OCc1cccnc1 ZINC000843830665 1129730135 /nfs/dbraw/zinc/73/01/35/1129730135.db2.gz DRRUNFZQCUBFSY-UHFFFAOYSA-N -1 0 342.439 3.653 20 0 EHADRM O=C(NNc1ccc(Cl)cc1Cl)c1cc(F)c([O-])c(F)c1 ZINC000186899670 1129902241 /nfs/dbraw/zinc/90/22/41/1129902241.db2.gz BFCLKVXKTGVSDU-UHFFFAOYSA-N -1 0 333.121 3.734 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(-c3ccccc3O)no2)c(F)c1F ZINC001212511770 1129911587 /nfs/dbraw/zinc/91/15/87/1129911587.db2.gz FCWSAFBXTWMFJA-UHFFFAOYSA-N -1 0 332.262 3.767 20 0 EHADRM CC(C)(C)c1nc2ccc(Nc3ccc(C(=O)[O-])c(F)c3F)cn2n1 ZINC001212512252 1129920347 /nfs/dbraw/zinc/92/03/47/1129920347.db2.gz DJCIUPDJIXKFLS-UHFFFAOYSA-N -1 0 346.337 3.747 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(C(=O)N3CCCC3)cc2)c(F)c1F ZINC001212513159 1129924253 /nfs/dbraw/zinc/92/42/53/1129924253.db2.gz BWAUGQHSDSCWNT-UHFFFAOYSA-N -1 0 346.333 3.643 20 0 EHADRM COC(=O)c1ccc(Cl)c(Nc2ccc(C(=O)[O-])c(F)c2F)c1 ZINC001212513479 1129925265 /nfs/dbraw/zinc/92/52/65/1129925265.db2.gz SJJWRMTYHMSPOJ-UHFFFAOYSA-N -1 0 341.697 3.847 20 0 EHADRM Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC000673982263 1129933135 /nfs/dbraw/zinc/93/31/35/1129933135.db2.gz LLVUTHPNJMGRCP-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM Cc1cc(CN=c2[n-]nc(CC(C)C)o2)cc(C)c1OC(F)F ZINC000347870517 1129950284 /nfs/dbraw/zinc/95/02/84/1129950284.db2.gz FWLPLEJPVXAKSB-UHFFFAOYSA-N -1 0 325.359 3.520 20 0 EHADRM CC(C)[C@H]1CCC[C@H](NC(=O)N=c2[n-]nc(-c3ccco3)s2)C1 ZINC000509199607 1129959054 /nfs/dbraw/zinc/95/90/54/1129959054.db2.gz YQWNIUXKFAVKOF-RYUDHWBXSA-N -1 0 334.445 3.556 20 0 EHADRM O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)c1c([O-])cc(F)cc1F ZINC000674016406 1129962141 /nfs/dbraw/zinc/96/21/41/1129962141.db2.gz BXKVWTBHOTVPNC-WPRPVWTQSA-N -1 0 337.288 3.769 20 0 EHADRM O=C(CCc1nnc(-c2ccccc2)o1)Nc1cccc(Cl)c1[O-] ZINC000172355546 1130127055 /nfs/dbraw/zinc/12/70/55/1130127055.db2.gz SAJAXYYQJFPBJG-UHFFFAOYSA-N -1 0 343.770 3.667 20 0 EHADRM CC(C)(CC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)[O-] ZINC000675000396 1130238569 /nfs/dbraw/zinc/23/85/69/1130238569.db2.gz JYJJFTUUBWGGSP-UHFFFAOYSA-N -1 0 347.361 3.671 20 0 EHADRM CSc1cccc(S(=O)(=O)[N-]c2cc(CCC(C)C)[nH]n2)c1 ZINC000509238606 1130251847 /nfs/dbraw/zinc/25/18/47/1130251847.db2.gz XBYIOTVZGOLCTM-UHFFFAOYSA-N -1 0 339.486 3.521 20 0 EHADRM CC(C)(CNC(=O)CC1(CC(=O)[O-])CCCCC1)[C@@H]1CCCCO1 ZINC000675149171 1130264800 /nfs/dbraw/zinc/26/48/00/1130264800.db2.gz JBOFRKVWJVICTC-HNNXBMFYSA-N -1 0 339.476 3.513 20 0 EHADRM CCC[C@H](NC(=O)c1sc2cccc(C)c2c1Cl)c1nnn[n-]1 ZINC000675145191 1130266545 /nfs/dbraw/zinc/26/65/45/1130266545.db2.gz JHMNKHPJASPOCR-VIFPVBQESA-N -1 0 349.847 3.647 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2noc3cc(Cl)ccc32)c1 ZINC000675294392 1130303621 /nfs/dbraw/zinc/30/36/21/1130303621.db2.gz IIYHMMCJAFGCKR-UHFFFAOYSA-N -1 0 340.763 3.730 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2cccc3ccccc32)n1 ZINC000675296939 1130304930 /nfs/dbraw/zinc/30/49/30/1130304930.db2.gz LSOOTEUGBRBEFJ-UHFFFAOYSA-N -1 0 330.434 3.758 20 0 EHADRM C[C@H](C[C@H]1CCOC1)NC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000675415724 1130361064 /nfs/dbraw/zinc/36/10/64/1130361064.db2.gz IMOVXSNNXHCSKH-VXGBXAGGSA-N -1 0 333.815 3.744 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000675946328 1130507880 /nfs/dbraw/zinc/50/78/80/1130507880.db2.gz DDIMPEJMJBDUKG-HNNXBMFYSA-N -1 0 343.398 3.508 20 0 EHADRM Cc1c(NC(=O)Cc2cccc(OC(C)C)c2)cccc1C(=O)[O-] ZINC000675966538 1130511587 /nfs/dbraw/zinc/51/15/87/1130511587.db2.gz PEESWHLFSOUZHH-UHFFFAOYSA-N -1 0 327.380 3.662 20 0 EHADRM Cc1oc(-c2ccccc2)nc1C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC000675993392 1130513509 /nfs/dbraw/zinc/51/35/09/1130513509.db2.gz DYDPXVXGFQPTFY-UHFFFAOYSA-N -1 0 342.395 3.510 20 0 EHADRM O=C([O-])CN(C(=O)c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000675993741 1130513851 /nfs/dbraw/zinc/51/38/51/1130513851.db2.gz KMXQFOZSVOLZKL-UHFFFAOYSA-N -1 0 329.318 3.565 20 0 EHADRM Cc1sc(-c2ccco2)nc1C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC000675992958 1130513858 /nfs/dbraw/zinc/51/38/58/1130513858.db2.gz ARZFTTHECRKLRH-UHFFFAOYSA-N -1 0 348.424 3.571 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000676025715 1130517884 /nfs/dbraw/zinc/51/78/84/1130517884.db2.gz AYMZWBYUXXDBFU-UWVGGRQHSA-N -1 0 329.730 3.883 20 0 EHADRM CC(C)[C@@H](C(=O)N1CCC[C@H](CC(=O)[O-])C1)c1cccc(Cl)c1 ZINC000676217942 1130546663 /nfs/dbraw/zinc/54/66/63/1130546663.db2.gz FOHKEIKYARJTLE-CXAGYDPISA-N -1 0 337.847 3.793 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N3CCC[C@H](CC(=O)[O-])C3)o2)cc1 ZINC000676217881 1130546841 /nfs/dbraw/zinc/54/68/41/1130546841.db2.gz DKVHDJBNQYWYEZ-OAHLLOKOSA-N -1 0 341.407 3.836 20 0 EHADRM CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000732613230 1130942135 /nfs/dbraw/zinc/94/21/35/1130942135.db2.gz FDOMJKNFOPRZSK-UHFFFAOYSA-N -1 0 331.437 3.595 20 0 EHADRM O=S(=O)(C=Cc1ccccc1Cl)[N-]c1n[nH]c2ccccc21 ZINC000736422663 1131421385 /nfs/dbraw/zinc/42/13/85/1131421385.db2.gz FEMXESYFPALTQP-MDZDMXLPSA-N -1 0 333.800 3.629 20 0 EHADRM CC[C@@H](C)OC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000738616535 1131476202 /nfs/dbraw/zinc/47/62/02/1131476202.db2.gz LJACVCPSNTYKTQ-LLVKDONJSA-N -1 0 339.438 3.504 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)[N-]S(=O)(=O)CC(C)(C)C)cc1 ZINC000739188571 1131492989 /nfs/dbraw/zinc/49/29/89/1131492989.db2.gz TUZUCOLWBUTHMW-AWEZNQCLSA-N -1 0 339.501 3.796 20 0 EHADRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)C[C@@H](CC)c1ccc(C)cc1 ZINC000739184304 1131493366 /nfs/dbraw/zinc/49/33/66/1131493366.db2.gz RVNIXTBWLKAGLM-HZPDHXFCSA-N -1 0 339.501 3.761 20 0 EHADRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)C[C@H](C)c1ccc(CC)cc1 ZINC000739182553 1131493397 /nfs/dbraw/zinc/49/33/97/1131493397.db2.gz CHHVSXUPABZDMR-GJZGRUSLSA-N -1 0 339.501 3.625 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1 ZINC000737349611 1131496368 /nfs/dbraw/zinc/49/63/68/1131496368.db2.gz ZREZCPHYIXXAGP-GDBMZVCRSA-N -1 0 337.485 3.800 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H](CC(C)C)c1ccccc1 ZINC000741108220 1131576613 /nfs/dbraw/zinc/57/66/13/1131576613.db2.gz SXYNPVAKRVHULD-KRWDZBQOSA-N -1 0 345.464 3.630 20 0 EHADRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@H](CC(C)C)c1ccccc1 ZINC000741118453 1131578134 /nfs/dbraw/zinc/57/81/34/1131578134.db2.gz IWYQNYLUJDWMDX-NVXWUHKLSA-N -1 0 339.501 3.699 20 0 EHADRM O=C(Nc1ccc(N2CCSCC2)cc1)c1cc(Cl)ccc1[O-] ZINC000741575650 1131624055 /nfs/dbraw/zinc/62/40/55/1131624055.db2.gz KMWMOEIFODDBIY-UHFFFAOYSA-N -1 0 348.855 3.851 20 0 EHADRM Cc1nnc(-c2cccc(NC(=O)c3c([O-])cccc3Cl)c2)o1 ZINC000743712003 1131968886 /nfs/dbraw/zinc/96/88/86/1131968886.db2.gz YGFOEXUOIBYXHD-UHFFFAOYSA-N -1 0 329.743 3.656 20 0 EHADRM C[C@H](C(=O)[N-]S(=O)(=O)/C=C\c1ccccc1)c1cccc(Cl)c1 ZINC000744009478 1132007360 /nfs/dbraw/zinc/00/73/60/1132007360.db2.gz RNFASIASGOUAAA-OEYXZAGESA-N -1 0 349.839 3.560 20 0 EHADRM CCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000744014583 1132007762 /nfs/dbraw/zinc/00/77/62/1132007762.db2.gz YABYXVWYKQRYGH-CQSZACIVSA-N -1 0 337.485 3.975 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)CCCC2CCCC2)c(C)s1 ZINC000744081622 1132017529 /nfs/dbraw/zinc/01/75/29/1132017529.db2.gz ZBCJOLZONHKGNT-UHFFFAOYSA-N -1 0 329.487 3.530 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1n[nH]c2c1CCCC2 ZINC000181427340 1132062811 /nfs/dbraw/zinc/06/28/11/1132062811.db2.gz SITNKKYSUITDNB-UHFFFAOYSA-N -1 0 326.183 3.553 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(C(=O)NCc3ccco3)cc2)cc1 ZINC001174156999 1132258667 /nfs/dbraw/zinc/25/86/67/1132258667.db2.gz WMUASIHKLYVQOX-UHFFFAOYSA-N -1 0 336.347 3.651 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccn2)cc1 ZINC000182949743 1132311368 /nfs/dbraw/zinc/31/13/68/1132311368.db2.gz ZQIAPDPURQOONP-UHFFFAOYSA-N -1 0 348.371 3.623 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccn2)cc(C)c1F ZINC000182951616 1132311916 /nfs/dbraw/zinc/31/19/16/1132311916.db2.gz RQEHOCPIRHRWPL-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM CC(C)(C)Sc1ccc(NC(=O)NCC2(C(=O)[O-])CCC2)cc1 ZINC000737586346 1132320446 /nfs/dbraw/zinc/32/04/46/1132320446.db2.gz VCGBESIPOVFQIH-UHFFFAOYSA-N -1 0 336.457 3.954 20 0 EHADRM CCOC(=O)c1nnsc1[N-]c1cc(F)ccc1C(F)(F)F ZINC001174484910 1132368936 /nfs/dbraw/zinc/36/89/36/1132368936.db2.gz VWXFVNOIXIGLSS-UHFFFAOYSA-N -1 0 335.282 3.616 20 0 EHADRM COc1ncc(Nc2cccc(/C=C/C(=O)[O-])c2)cc1Br ZINC001174495225 1132371176 /nfs/dbraw/zinc/37/11/76/1132371176.db2.gz NMCRMZGBODXKJV-AATRIKPKSA-N -1 0 349.184 3.694 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2cnc3cc(C(F)(F)F)nn3c2)c1 ZINC001174495634 1132371902 /nfs/dbraw/zinc/37/19/02/1132371902.db2.gz SDEUQDJNVMHVHS-SNAWJCMRSA-N -1 0 348.284 3.590 20 0 EHADRM Cc1c(Br)cncc1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174495732 1132372023 /nfs/dbraw/zinc/37/20/23/1132372023.db2.gz VYTLRAVRIOVKQI-AATRIKPKSA-N -1 0 333.185 3.994 20 0 EHADRM COc1cc(Cl)ccc1CNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000746237450 1132396088 /nfs/dbraw/zinc/39/60/88/1132396088.db2.gz SPIMFUYIQCFDMM-UHFFFAOYSA-N -1 0 348.811 3.709 20 0 EHADRM COc1ccc(Nc2cccc(C(F)F)c2)c(S(=O)(=O)[O-])c1 ZINC001174622441 1132418544 /nfs/dbraw/zinc/41/85/44/1132418544.db2.gz HALHKZFRANVSBW-UHFFFAOYSA-N -1 0 329.324 3.623 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cc(C(F)(F)F)c(F)cc1N ZINC001174676306 1132432647 /nfs/dbraw/zinc/43/26/47/1132432647.db2.gz HYLLEKXFELHQAL-UHFFFAOYSA-N -1 0 344.264 3.877 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1c(C)cnn1-c1ccc(F)cc1 ZINC001174674707 1132432672 /nfs/dbraw/zinc/43/26/72/1132432672.db2.gz IACBXMAJXLZZSA-UHFFFAOYSA-N -1 0 341.342 3.770 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cnc2cc(F)c(F)cc2c1 ZINC001174674863 1132432695 /nfs/dbraw/zinc/43/26/95/1132432695.db2.gz OWILUQXPYVYVKV-UHFFFAOYSA-N -1 0 330.290 3.963 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc(-n2cnc(C)c2)c(F)c1 ZINC001174675258 1132432870 /nfs/dbraw/zinc/43/28/70/1132432870.db2.gz KLONONSRZXYTMQ-UHFFFAOYSA-N -1 0 341.342 3.770 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cc(C(C)(C)C)sc1C(N)=O ZINC001174674349 1132433027 /nfs/dbraw/zinc/43/30/27/1132433027.db2.gz WFJQUQOKLWRLFW-UHFFFAOYSA-N -1 0 348.424 3.595 20 0 EHADRM COCCCOc1ccc(F)cc1Nc1ccc(C(=O)[O-])cc1OC ZINC001174677640 1132434007 /nfs/dbraw/zinc/43/40/07/1132434007.db2.gz OFZHDHHCIDHOPH-UHFFFAOYSA-N -1 0 349.358 3.691 20 0 EHADRM COc1cc(Nc2ccc(C(F)(F)F)cc2O)ccc1C(=O)[O-] ZINC001174684970 1132435665 /nfs/dbraw/zinc/43/56/65/1132435665.db2.gz CXVKYEPDGGPQCI-UHFFFAOYSA-N -1 0 327.258 3.861 20 0 EHADRM COc1cc(Nc2cc(C)nn2-c2ccccc2F)ccc1C(=O)[O-] ZINC001174684478 1132435887 /nfs/dbraw/zinc/43/58/87/1132435887.db2.gz PKPIEOZYPSWSPL-UHFFFAOYSA-N -1 0 341.342 3.770 20 0 EHADRM COc1cc(Nc2cc(-c3cccc(C)c3)nn2C)ccc1C(=O)[O-] ZINC001174684111 1132436049 /nfs/dbraw/zinc/43/60/49/1132436049.db2.gz WSWWFGHXBXLFSP-UHFFFAOYSA-N -1 0 337.379 3.846 20 0 EHADRM CCOc1n[nH]c(NC(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)n1 ZINC001174745867 1132464806 /nfs/dbraw/zinc/46/48/06/1132464806.db2.gz WEPUSTLEKDZPDU-UHFFFAOYSA-N -1 0 342.443 3.805 20 0 EHADRM COC(=O)c1c(F)ccc(Nc2ccc(C(=O)[O-])s2)c1Cl ZINC001174806534 1132478461 /nfs/dbraw/zinc/47/84/61/1132478461.db2.gz AUICTOIUPCMORV-UHFFFAOYSA-N -1 0 329.736 3.769 20 0 EHADRM O=S(=O)([O-])c1cccc(Nc2ccc(Oc3cccnc3)cc2)c1 ZINC001174849293 1132486701 /nfs/dbraw/zinc/48/67/01/1132486701.db2.gz OQJWWXODOMZYBK-UHFFFAOYSA-N -1 0 342.376 3.864 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2cccc3cccnc32)c(Cl)c1 ZINC001174860885 1132489567 /nfs/dbraw/zinc/48/95/67/1132489567.db2.gz HLQKWVIFPSRNHC-UHFFFAOYSA-N -1 0 334.784 3.879 20 0 EHADRM O=S(=O)([O-])c1ccc2ccc(Nc3ccc4c(c3)OCO4)cc2c1 ZINC001174866304 1132491139 /nfs/dbraw/zinc/49/11/39/1132491139.db2.gz HZCFQOZUCLWSGO-UHFFFAOYSA-N -1 0 343.360 3.559 20 0 EHADRM O=C([O-])Cc1ccc(Nc2ccc3nnc(-c4ccccc4)n3c2)cc1 ZINC001174951474 1132516589 /nfs/dbraw/zinc/51/65/89/1132516589.db2.gz CJFVUHBSTPCBMQ-UHFFFAOYSA-N -1 0 344.374 3.767 20 0 EHADRM Cc1cnn(-c2ccccc2F)c1Nc1ccc(CC(=O)[O-])cc1 ZINC001174951096 1132516635 /nfs/dbraw/zinc/51/66/35/1132516635.db2.gz ZVRHAAREXVPSKQ-UHFFFAOYSA-N -1 0 325.343 3.691 20 0 EHADRM O=C([O-])Cc1ccc(Nc2c(F)cccc2OC[C@@H]2CCCO2)cc1 ZINC001174956541 1132518451 /nfs/dbraw/zinc/51/84/51/1132518451.db2.gz OAYXGNSZWDFFMO-HNNXBMFYSA-N -1 0 345.370 3.754 20 0 EHADRM COc1cc(Nc2cc(Cl)c(C)cc2S(=O)(=O)[O-])ccc1C ZINC001175016099 1132529792 /nfs/dbraw/zinc/52/97/92/1132529792.db2.gz NXRTZSXMTMAQBK-UHFFFAOYSA-N -1 0 341.816 3.956 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1ccc(OCC2CCOCC2)nc1 ZINC001174981153 1132534118 /nfs/dbraw/zinc/53/41/18/1132534118.db2.gz IKYSKBOONWSSRK-UHFFFAOYSA-N -1 0 342.395 3.637 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1sc2c(c1C(N)=O)C[C@H](C)CC2 ZINC001174983046 1132535447 /nfs/dbraw/zinc/53/54/47/1132535447.db2.gz CRDDWJVFOJCISW-SECBINFHSA-N -1 0 344.436 3.722 20 0 EHADRM COc1ccc(-c2ccccn2)nc1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175155310 1132569861 /nfs/dbraw/zinc/56/98/61/1132569861.db2.gz PTDVJHDNKANVRX-UHFFFAOYSA-N -1 0 339.326 3.733 20 0 EHADRM Cc1cnn(-c2ccccc2F)c1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175157310 1132570014 /nfs/dbraw/zinc/57/00/14/1132570014.db2.gz DMQIWOKTGSLDES-UHFFFAOYSA-N -1 0 329.306 3.901 20 0 EHADRM O=C([O-])c1ccc(Nc2c(O)cccc2Br)cc1F ZINC001175158774 1132570371 /nfs/dbraw/zinc/57/03/71/1132570371.db2.gz WPXJLKGAFIBGQT-UHFFFAOYSA-N -1 0 326.121 3.736 20 0 EHADRM O=C([O-])c1ccc(Nc2cn3cc(C(F)(F)F)ccc3n2)cc1F ZINC001175159082 1132570766 /nfs/dbraw/zinc/57/07/66/1132570766.db2.gz ZDRZLQWDKFSZKT-UHFFFAOYSA-N -1 0 339.248 3.934 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(Br)cc(F)c2O)cc1F ZINC001175161156 1132571317 /nfs/dbraw/zinc/57/13/17/1132571317.db2.gz STTQOUWJXSWQBE-UHFFFAOYSA-N -1 0 344.111 3.875 20 0 EHADRM O=C([O-])c1ccc(Nc2cccc(O)c2Br)cc1F ZINC001175162393 1132586317 /nfs/dbraw/zinc/58/63/17/1132586317.db2.gz XQPQXCATPKNVHG-UHFFFAOYSA-N -1 0 326.121 3.736 20 0 EHADRM Cc1cc(Nc2ccc(F)c(C(=O)[O-])c2)n(Cc2ccccc2F)n1 ZINC001175220949 1132598649 /nfs/dbraw/zinc/59/86/49/1132598649.db2.gz UKNHRGCNZUOHLW-UHFFFAOYSA-N -1 0 343.333 3.960 20 0 EHADRM CCOC(=O)CCc1cccc(Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC001175221584 1132598834 /nfs/dbraw/zinc/59/88/34/1132598834.db2.gz IHWLRWOVWHNONM-UHFFFAOYSA-N -1 0 331.343 3.763 20 0 EHADRM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1ccc(OC2CCC2)cc1 ZINC001168914350 1132605135 /nfs/dbraw/zinc/60/51/35/1132605135.db2.gz KYTOENSNEXNGJM-UHFFFAOYSA-N -1 0 349.390 3.762 20 0 EHADRM Cc1cc(Nc2ccc(C(=O)[O-])c(Cl)c2)n(CC(F)(F)F)n1 ZINC001175315035 1132634946 /nfs/dbraw/zinc/63/49/46/1132634946.db2.gz LBOFJLGOMCCYGD-UHFFFAOYSA-N -1 0 333.697 3.849 20 0 EHADRM O=C([O-])c1ccc(Nc2ccccc2N2CCC(O)CC2)cc1Cl ZINC001175319332 1132637235 /nfs/dbraw/zinc/63/72/35/1132637235.db2.gz SELBJNOUYBYCQX-UHFFFAOYSA-N -1 0 346.814 3.743 20 0 EHADRM CC1(C)C(=O)NCc2cc(Nc3ccc(C(=O)[O-])c(Cl)c3)ccc21 ZINC001175320237 1132638219 /nfs/dbraw/zinc/63/82/19/1132638219.db2.gz FOBRIMAWKLFXFJ-UHFFFAOYSA-N -1 0 344.798 3.689 20 0 EHADRM Cc1n[nH]c(C(=O)N[C@@H]2CCC(C)(C)C[C@@H]2c2ccccc2)c1[O-] ZINC001175329882 1132640138 /nfs/dbraw/zinc/64/01/38/1132640138.db2.gz MZVXLENTNDGZIX-HUUCEWRRSA-N -1 0 327.428 3.516 20 0 EHADRM Cn1nc(Nc2cccc(C(=O)[O-])c2)c2ccc(Br)cc21 ZINC001175329302 1132640391 /nfs/dbraw/zinc/64/03/91/1132640391.db2.gz XRPNVJSIXJHLHW-UHFFFAOYSA-N -1 0 346.184 3.778 20 0 EHADRM CCOC(=O)Cc1ccc(Nc2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC001175330953 1132640762 /nfs/dbraw/zinc/64/07/62/1132640762.db2.gz MYRDJGXBVKXTNT-UHFFFAOYSA-N -1 0 333.771 3.887 20 0 EHADRM COc1cc(Br)c(C)nc1Nc1cccc(C(=O)[O-])c1 ZINC001175329920 1132641009 /nfs/dbraw/zinc/64/10/09/1132641009.db2.gz CPTMGPKMJOBZCG-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM Cc1n[nH]c(C(=O)N[C@@H]2CCC(C)(C)C[C@H]2c2ccccc2)c1[O-] ZINC001175329885 1132641246 /nfs/dbraw/zinc/64/12/46/1132641246.db2.gz MZVXLENTNDGZIX-LSDHHAIUSA-N -1 0 327.428 3.516 20 0 EHADRM COc1cccnc1CCC(=O)Nc1c(Cl)ccc([O-])c1Cl ZINC001175500279 1132691040 /nfs/dbraw/zinc/69/10/40/1132691040.db2.gz XOGLPDKPLYFBOQ-UHFFFAOYSA-N -1 0 341.194 3.674 20 0 EHADRM O=C([O-])c1cncc(Nc2ccc(Br)c(F)c2F)c1 ZINC001175842390 1132773726 /nfs/dbraw/zinc/77/37/26/1132773726.db2.gz DYTBJGXLQDXQTO-UHFFFAOYSA-N -1 0 329.100 3.564 20 0 EHADRM Cc1ccc(S(=O)(=O)N2CCCC2)cc1Nc1ccc([S-])cc1 ZINC001176009567 1132818429 /nfs/dbraw/zinc/81/84/29/1132818429.db2.gz NMHSLVOQQDMYFA-UHFFFAOYSA-N -1 0 348.493 3.812 20 0 EHADRM COc1c(Cl)cc(Nc2cccc(S(=O)(=O)[O-])c2)cc1Cl ZINC001176309313 1132910553 /nfs/dbraw/zinc/91/05/53/1132910553.db2.gz SUMNAJOWPQUTLL-UHFFFAOYSA-N -1 0 348.207 3.992 20 0 EHADRM Cc1cc(F)ccc1[N-]S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000766897104 1132912653 /nfs/dbraw/zinc/91/26/53/1132912653.db2.gz ZMBIBSJIPNXAFG-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)/C=C\c1ccccc1F ZINC000766942386 1132919456 /nfs/dbraw/zinc/91/94/56/1132919456.db2.gz RNHAUVXSBOGSCN-NTMALXAHSA-N -1 0 343.354 3.963 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)/C=C/c1ccccc1F ZINC000766942385 1132920046 /nfs/dbraw/zinc/92/00/46/1132920046.db2.gz RNHAUVXSBOGSCN-CSKARUKUSA-N -1 0 343.354 3.963 20 0 EHADRM Cc1cc(/C=C\C(=O)N(C)CCC(=O)[O-])c(C)n1C1CCCCC1 ZINC000767127007 1132954505 /nfs/dbraw/zinc/95/45/05/1132954505.db2.gz NJSNJLSGORGPOS-KTKRTIGZSA-N -1 0 332.444 3.556 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3cncc(Br)c3)cc2)CC1 ZINC001176581556 1132959515 /nfs/dbraw/zinc/95/95/15/1132959515.db2.gz IWIXTKLWKKSRRH-UHFFFAOYSA-N -1 0 333.185 3.704 20 0 EHADRM COC(=O)c1c(F)ccc(F)c1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176588230 1132961830 /nfs/dbraw/zinc/96/18/30/1132961830.db2.gz HZBJGDIQIOFWEP-UHFFFAOYSA-N -1 0 347.317 3.611 20 0 EHADRM COC(=O)[C@H](C)c1ccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cc1 ZINC001176588435 1132962030 /nfs/dbraw/zinc/96/20/30/1132962030.db2.gz MHJFBJZZYUUJRO-CYBMUJFWSA-N -1 0 339.391 3.823 20 0 EHADRM COc1cc(OC)c(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cc1F ZINC001176590812 1132962327 /nfs/dbraw/zinc/96/23/27/1132962327.db2.gz XYFGILDZLAUIOX-UHFFFAOYSA-N -1 0 331.343 3.703 20 0 EHADRM COc1cc(C(C)=O)ccc1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176589220 1132962651 /nfs/dbraw/zinc/96/26/51/1132962651.db2.gz FLEJXJHGCBBFSS-UHFFFAOYSA-N -1 0 325.364 3.758 20 0 EHADRM COC(Cc1ccccc1Nc1ccc(/C=C/C(=O)[O-])cc1)OC ZINC001176595178 1132963141 /nfs/dbraw/zinc/96/31/41/1132963141.db2.gz JWDRMASOHKHWEN-FMIVXFBMSA-N -1 0 327.380 3.689 20 0 EHADRM CCOC(=O)c1nc(C2CC2)oc1[N-]c1c(F)cc(F)c(O)c1F ZINC001176663905 1132978984 /nfs/dbraw/zinc/97/89/84/1132978984.db2.gz PAHMRAINKODBTD-UHFFFAOYSA-N -1 0 342.273 3.595 20 0 EHADRM O=C([O-])CNC(=O)c1ccc(Nc2ccc(Cl)cc2Cl)cc1 ZINC001176653944 1132984992 /nfs/dbraw/zinc/98/49/92/1132984992.db2.gz RKYNFKREIFLPPT-UHFFFAOYSA-N -1 0 339.178 3.551 20 0 EHADRM O=C([O-])c1ccc(Nc2nc(Cl)ccc2Br)cc1 ZINC001176710622 1132995047 /nfs/dbraw/zinc/99/50/47/1132995047.db2.gz UOACBAPPNADRJE-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(Cl)ccc2N2CCOCC2)cc1 ZINC001176712251 1132995309 /nfs/dbraw/zinc/99/53/09/1132995309.db2.gz KWKSMOHKYLTYNF-UHFFFAOYSA-N -1 0 332.787 3.618 20 0 EHADRM CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC000767571412 1133021557 /nfs/dbraw/zinc/02/15/57/1133021557.db2.gz IMMISHBODZCWFE-LBPRGKRZSA-N -1 0 331.865 3.670 20 0 EHADRM CC[C@@H](C)C1CCC(NC(=O)CSc2n[n-]c(=S)s2)CC1 ZINC001177345872 1133055259 /nfs/dbraw/zinc/05/52/59/1133055259.db2.gz ISDBCTSEFSKCTH-KPPDAEKUSA-N -1 0 345.559 3.640 20 0 EHADRM CC(C)C(=O)[C@@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1ccccc1 ZINC001177526718 1133075598 /nfs/dbraw/zinc/07/55/98/1133075598.db2.gz NBXLXYYGKNWMRE-HNNXBMFYSA-N -1 0 349.789 3.881 20 0 EHADRM CCCN(Cc1cc(=O)oc2cc([O-])c(Cl)cc12)CC(F)F ZINC000798194551 1133121847 /nfs/dbraw/zinc/12/18/47/1133121847.db2.gz GNVNAQWNMBCMLX-UHFFFAOYSA-N -1 0 331.746 3.629 20 0 EHADRM O=C(c1n[n-]c2ccccc2c1=O)N1CCC[C@@H]1CCC1CCCC1 ZINC000768330846 1133125772 /nfs/dbraw/zinc/12/57/72/1133125772.db2.gz UPAKKOAZRZZEFM-OAHLLOKOSA-N -1 0 339.439 3.910 20 0 EHADRM Cc1ccnc(C2(C(=O)Nc3ccc4[n-]c(=S)sc4c3)CC2)c1 ZINC001178070530 1133130014 /nfs/dbraw/zinc/13/00/14/1133130014.db2.gz KAVFBGPTAFWQFU-UHFFFAOYSA-N -1 0 341.461 3.959 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000768573707 1133157468 /nfs/dbraw/zinc/15/74/68/1133157468.db2.gz SUZPJWIJSRIGFW-SNVBAGLBSA-N -1 0 327.767 3.766 20 0 EHADRM O=C(N[C@H](c1ccccn1)C1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC001178523594 1133175962 /nfs/dbraw/zinc/17/59/62/1133175962.db2.gz OXYSOICJJIJRCU-AWEZNQCLSA-N -1 0 337.206 3.975 20 0 EHADRM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)Nc2ccccc2[S-])C1 ZINC001179278951 1133243090 /nfs/dbraw/zinc/24/30/90/1133243090.db2.gz RKJSHLAGCKENCI-SGTLLEGYSA-N -1 0 348.468 3.561 20 0 EHADRM O=C(OCCOc1ccc(F)cc1Cl)c1c(F)cc([O-])cc1F ZINC000769794150 1133347579 /nfs/dbraw/zinc/34/75/79/1133347579.db2.gz PIWPENQKRSEXIZ-UHFFFAOYSA-N -1 0 346.688 3.699 20 0 EHADRM CCCN(CC(C)(C)O)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000769943634 1133364158 /nfs/dbraw/zinc/36/41/58/1133364158.db2.gz WDDVWSDBIKZECO-UHFFFAOYSA-N -1 0 335.831 3.822 20 0 EHADRM Cc1cccc(NC(=O)Cc2noc(-c3cccc(Cl)c3[O-])n2)c1 ZINC000770959378 1133483218 /nfs/dbraw/zinc/48/32/18/1133483218.db2.gz HLEBVRPIMMKBIW-UHFFFAOYSA-N -1 0 343.770 3.585 20 0 EHADRM C[C@H](NC(=O)c1ccc(Cl)cc1O)c1cc(F)ccc1N(C)C ZINC001181680811 1133513173 /nfs/dbraw/zinc/51/31/73/1133513173.db2.gz UEDAAKHWDJAWEB-JTQLQIEISA-N -1 0 336.794 3.742 20 0 EHADRM CC(C)[C@]1(C)C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000774237871 1133639370 /nfs/dbraw/zinc/63/93/70/1133639370.db2.gz ZCVFSNQIGHZPPK-ZBEGNZNMSA-N -1 0 343.514 3.533 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)C[C@@H](C)Cc1ccc(Cl)cc1 ZINC000772664842 1133709916 /nfs/dbraw/zinc/70/99/16/1133709916.db2.gz WHERKJWKNXQSJR-LBPRGKRZSA-N -1 0 345.892 3.543 20 0 EHADRM C[C@H](CNC(=O)c1cc(F)cc(Cl)c1[O-])c1ccc(F)cc1F ZINC001182832756 1133738222 /nfs/dbraw/zinc/73/82/22/1133738222.db2.gz RVGKJIABPZXMSE-MRVPVSSYSA-N -1 0 343.732 3.996 20 0 EHADRM CCOC(=O)Nc1ccc(NC(=O)Cc2ccc([S-])cc2)cc1 ZINC001183189235 1133776745 /nfs/dbraw/zinc/77/67/45/1133776745.db2.gz PJIDOBZQEGTXCI-UHFFFAOYSA-N -1 0 330.409 3.725 20 0 EHADRM O=C(Cc1ccc([S-])cc1)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001183190687 1133777910 /nfs/dbraw/zinc/77/79/10/1133777910.db2.gz XHYHIRWMLATWOC-SJLPKXTDSA-N -1 0 327.449 3.554 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)C2(C)CCCCCC2)cc(C)c1F ZINC000786506962 1133866235 /nfs/dbraw/zinc/86/62/35/1133866235.db2.gz JRVDRNIZHNNURZ-UHFFFAOYSA-N -1 0 341.448 3.608 20 0 EHADRM O=S(=O)([N-]c1ccc(F)c2ccccc12)c1cccnc1Cl ZINC001184881109 1134002293 /nfs/dbraw/zinc/00/22/93/1134002293.db2.gz YBAOEHKTLVWUOA-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM C[C@@H](Oc1cccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)c1)C(=O)[O-] ZINC000746682473 1134005163 /nfs/dbraw/zinc/00/51/63/1134005163.db2.gz AWINJOXWCLGYJF-XBLUXWHVSA-N -1 0 343.766 3.685 20 0 EHADRM Cc1noc(C)c1NC(=O)Nc1cc(Br)cc(F)c1[O-] ZINC001185184014 1134045302 /nfs/dbraw/zinc/04/53/02/1134045302.db2.gz LLYLASOKQUDWNV-UHFFFAOYSA-N -1 0 344.140 3.543 20 0 EHADRM O=S(=O)([N-]c1cccc2occc21)c1ccc(-c2cnco2)cc1 ZINC001185228685 1134054162 /nfs/dbraw/zinc/05/41/62/1134054162.db2.gz CTCAASLOCXTKFW-UHFFFAOYSA-N -1 0 340.360 3.889 20 0 EHADRM O=S(=O)([N-]c1csc(Cl)c1)c1ccc(-c2cnco2)cc1 ZINC001185193241 1134054516 /nfs/dbraw/zinc/05/45/16/1134054516.db2.gz UDLOZKBNHOKVPR-UHFFFAOYSA-N -1 0 340.813 3.857 20 0 EHADRM Cn1nc(C(C)(C)C)cc1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185425746 1134083340 /nfs/dbraw/zinc/08/33/40/1134083340.db2.gz XZMHJMYYIGTTJH-UHFFFAOYSA-N -1 0 349.481 3.733 20 0 EHADRM O=S(=O)([N-]c1cn(C2CCC2)cn1)c1cc2ccccc2s1 ZINC001185429475 1134084274 /nfs/dbraw/zinc/08/42/74/1134084274.db2.gz NQFUSCICPGCOMY-UHFFFAOYSA-N -1 0 333.438 3.624 20 0 EHADRM O=S(=O)([N-]c1cnc(Cl)c(F)c1)c1cc2ccccc2s1 ZINC001185428637 1134084460 /nfs/dbraw/zinc/08/44/60/1134084460.db2.gz BCYJCMZVWAYRMG-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM Cc1cccc2ncc([N-]S(=O)(=O)c3cc4ccccc4s3)n21 ZINC001185428614 1134084944 /nfs/dbraw/zinc/08/49/44/1134084944.db2.gz AEYYUFXZOUSWCD-UHFFFAOYSA-N -1 0 343.433 3.658 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)C=C([O-])c1ccccc1Cl)C1CC1 ZINC001185436882 1134086059 /nfs/dbraw/zinc/08/60/59/1134086059.db2.gz SZWKZYKCDSKNKC-IBGZPJMESA-N -1 0 342.826 3.884 20 0 EHADRM O=C(C=C([O-])c1ccccc1Cl)NCCc1ccc2[nH]ccc2c1 ZINC001185443913 1134087230 /nfs/dbraw/zinc/08/72/30/1134087230.db2.gz GUHIYTZZOSTZOQ-UHFFFAOYSA-N -1 0 340.810 3.753 20 0 EHADRM O=S(=O)([N-]c1ccc2cncnc2c1)c1cc2ccccc2s1 ZINC001185462600 1134091824 /nfs/dbraw/zinc/09/18/24/1134091824.db2.gz ICNNQOBNVZDJTJ-UHFFFAOYSA-N -1 0 341.417 3.645 20 0 EHADRM O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1cccc([S-])c1 ZINC001186163680 1134172440 /nfs/dbraw/zinc/17/24/40/1134172440.db2.gz XOQKPTQSSUYLLC-ZDUSSCGKSA-N -1 0 342.247 3.746 20 0 EHADRM COc1ccc(C2=CCN(C(=O)c3cccc([S-])c3)CC2)cc1 ZINC001186150092 1134175621 /nfs/dbraw/zinc/17/56/21/1134175621.db2.gz ZRIASUFUJBUJHD-UHFFFAOYSA-N -1 0 325.433 3.913 20 0 EHADRM COC(=O)c1cc(F)c(NC(=O)c2cccc([S-])c2)c(C)c1F ZINC001186153297 1134176230 /nfs/dbraw/zinc/17/62/30/1134176230.db2.gz ZOAHPVOEHDIFMT-UHFFFAOYSA-N -1 0 337.347 3.601 20 0 EHADRM CC1(C)NC(=O)Nc2ccc(NC(=O)c3cccc([S-])c3)cc21 ZINC001186155412 1134176457 /nfs/dbraw/zinc/17/64/57/1134176457.db2.gz CAFXMDVPSJALDX-UHFFFAOYSA-N -1 0 327.409 3.598 20 0 EHADRM CC(C)CNC(=O)c1cccc(NC(=O)c2cccc([S-])c2)c1 ZINC001186152533 1134176571 /nfs/dbraw/zinc/17/65/71/1134176571.db2.gz MRBUWBFYAOXHEX-UHFFFAOYSA-N -1 0 328.437 3.613 20 0 EHADRM O=S(=O)(N[C@@H]1CCCCC1(F)F)c1csc2ccccc21 ZINC001186523494 1134227957 /nfs/dbraw/zinc/22/79/57/1134227957.db2.gz GTGCCVYFZYJIJI-CYBMUJFWSA-N -1 0 331.409 3.758 20 0 EHADRM O=S(=O)(NC1=CC=C[CH]1)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC001186627086 1134238127 /nfs/dbraw/zinc/23/81/27/1134238127.db2.gz YXAULLFLOIPCFW-UHFFFAOYSA-N -1 0 330.816 3.943 20 0 EHADRM CN(Cc1cccc2cccnc21)C(=O)c1cc(F)c(F)c([O-])c1F ZINC001186778872 1134256688 /nfs/dbraw/zinc/25/66/88/1134256688.db2.gz HFPFBTMBMHIJTI-UHFFFAOYSA-N -1 0 346.308 3.630 20 0 EHADRM O=C(Nc1cc(Cl)cc2ncoc21)c1cc(F)c(F)c([O-])c1F ZINC001186787296 1134257888 /nfs/dbraw/zinc/25/78/88/1134257888.db2.gz CLEXVRDHMJTEHU-UHFFFAOYSA-N -1 0 342.660 3.856 20 0 EHADRM CC1(CNC(=O)c2cc(F)c(F)c([O-])c2F)CCC(F)(F)CC1 ZINC001186797469 1134259015 /nfs/dbraw/zinc/25/90/15/1134259015.db2.gz BIOATSXODQXKQI-UHFFFAOYSA-N -1 0 337.288 3.755 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)cc(OC(F)(F)F)c1)c1ccco1 ZINC001186856690 1134269682 /nfs/dbraw/zinc/26/96/82/1134269682.db2.gz SVLPQVRUSWWBLB-UHFFFAOYSA-N -1 0 341.694 3.632 20 0 EHADRM O=S(=O)(NC[C@@H]1CCc2ccccc21)c1cc2cc(F)ccc2o1 ZINC001186951390 1134276338 /nfs/dbraw/zinc/27/63/38/1134276338.db2.gz FLDUMBCGJRDCDH-ZDUSSCGKSA-N -1 0 345.395 3.580 20 0 EHADRM Cc1nc([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)cs1 ZINC001187042809 1134286550 /nfs/dbraw/zinc/28/65/50/1134286550.db2.gz FKCURJGBEVOZRV-UHFFFAOYSA-N -1 0 337.253 3.700 20 0 EHADRM Cc1ccc(-n2cccn2)cc1NC(=O)c1cccc(Cl)c1[O-] ZINC000789889121 1134341888 /nfs/dbraw/zinc/34/18/88/1134341888.db2.gz ZZTKVRMTNXBKJD-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM C[C@H]1CN(c2ccccc2F)CCN1C(=O)c1cccc(Cl)c1[O-] ZINC000789870248 1134343205 /nfs/dbraw/zinc/34/32/05/1134343205.db2.gz IGONGEWZSLUKHJ-LBPRGKRZSA-N -1 0 348.805 3.536 20 0 EHADRM O=C([N-]c1nc(-c2ccc(F)cc2)ns1)c1nc(Cl)cs1 ZINC000789945300 1134350769 /nfs/dbraw/zinc/35/07/69/1134350769.db2.gz GBFBIVYYUONQFD-UHFFFAOYSA-N -1 0 340.792 3.706 20 0 EHADRM Cc1nc([N-]S(=O)(=O)CCc2cccc3ccccc32)cs1 ZINC001187617311 1134357047 /nfs/dbraw/zinc/35/70/47/1134357047.db2.gz STLCOQQHSXLPLG-UHFFFAOYSA-N -1 0 332.450 3.589 20 0 EHADRM O=S(=O)(CCc1cccc2ccccc21)Nc1cc(O)ccc1F ZINC001187641143 1134360809 /nfs/dbraw/zinc/36/08/09/1134360809.db2.gz BGIXLLWMTDVEFI-UHFFFAOYSA-N -1 0 345.395 3.669 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)Cc1ccccc1-2)c1nccs1 ZINC001187894926 1134394080 /nfs/dbraw/zinc/39/40/80/1134394080.db2.gz TVBAHBVRSDRIRB-UHFFFAOYSA-N -1 0 328.418 3.515 20 0 EHADRM O=S(=O)([N-]c1ccc(SC(F)(F)F)cc1)c1nccs1 ZINC001187891504 1134399430 /nfs/dbraw/zinc/39/94/30/1134399430.db2.gz OKQNAYZGBHPGGZ-UHFFFAOYSA-N -1 0 340.373 3.556 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)ccc1C(F)(F)F)c1nccs1 ZINC001187891618 1134399965 /nfs/dbraw/zinc/39/99/65/1134399965.db2.gz ZACITODWDWJHGD-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1C ZINC001187967354 1134411952 /nfs/dbraw/zinc/41/19/52/1134411952.db2.gz VUAPEXCYGBQJFT-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CCCC[C@H](CCC)C[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC001188016739 1134416589 /nfs/dbraw/zinc/41/65/89/1134416589.db2.gz CONRJEFBPKTZQV-NSHDSACASA-N -1 0 337.407 3.989 20 0 EHADRM COc1cc(-c2cc(F)c(F)c(C(=O)[O-])c2)ccc1OC(F)F ZINC001206038643 1134447152 /nfs/dbraw/zinc/44/71/52/1134447152.db2.gz KNSIDTRWIMERJK-UHFFFAOYSA-N -1 0 330.233 3.940 20 0 EHADRM O=S(=O)([N-]c1cccc(OCc2ccccc2)c1)c1ccoc1 ZINC001188569200 1134477298 /nfs/dbraw/zinc/47/72/98/1134477298.db2.gz AZPCHCWJZZLIMQ-UHFFFAOYSA-N -1 0 329.377 3.659 20 0 EHADRM O=S(=O)([N-]c1cccc(Cl)c1C(F)(F)F)c1ccoc1 ZINC001188614139 1134482124 /nfs/dbraw/zinc/48/21/24/1134482124.db2.gz JLRKJHNDMBFWBZ-UHFFFAOYSA-N -1 0 325.695 3.753 20 0 EHADRM O=S(=O)([N-]c1ccc(C(F)(F)F)c2ncccc12)c1ccoc1 ZINC001188614315 1134482413 /nfs/dbraw/zinc/48/24/13/1134482413.db2.gz TVPPHTFPXNUJFC-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM O=S(=O)([N-]c1cc2ccccc2nc1C(F)(F)F)c1ccoc1 ZINC001188579962 1134483662 /nfs/dbraw/zinc/48/36/62/1134483662.db2.gz OVZYXBSCWMGQCE-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM CN(CCc1ccc(F)cc1)C(=O)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188578003 1134483989 /nfs/dbraw/zinc/48/39/89/1134483989.db2.gz ZVFCTVULHVMGIX-UHFFFAOYSA-N -1 0 341.304 3.865 20 0 EHADRM O=C(Nc1cnc2c(cccc2C(F)(F)F)c1)c1ccncc1[O-] ZINC001188628550 1134490910 /nfs/dbraw/zinc/49/09/10/1134490910.db2.gz FDAJRQCMLMVFER-UHFFFAOYSA-N -1 0 333.269 3.607 20 0 EHADRM CO[C@@H]1CCOc2c(NC(=O)c3c([O-])cccc3Cl)cccc21 ZINC000791094583 1134508951 /nfs/dbraw/zinc/50/89/51/1134508951.db2.gz ASJNRQVWQPTOCP-CQSZACIVSA-N -1 0 333.771 3.768 20 0 EHADRM CCCCCOc1ccc(S(=O)(=O)[N-]c2cccc(F)n2)cc1 ZINC000775205332 1134520420 /nfs/dbraw/zinc/52/04/20/1134520420.db2.gz YITWEIKSRDESCT-UHFFFAOYSA-N -1 0 338.404 3.591 20 0 EHADRM O=S(=O)(CCc1ccc(Cl)cc1)Nc1cc(F)c(F)cc1F ZINC001189103939 1134544696 /nfs/dbraw/zinc/54/46/96/1134544696.db2.gz OVJDGLYWOBINMS-UHFFFAOYSA-N -1 0 349.761 3.742 20 0 EHADRM CC(C)(C)C(=O)Nc1ncccc1C(=O)Nc1ccccc1[S-] ZINC001189210273 1134552716 /nfs/dbraw/zinc/55/27/16/1134552716.db2.gz RNTMLJPIWFSVFW-UHFFFAOYSA-N -1 0 329.425 3.607 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)c(C)n1 ZINC001189347894 1134574145 /nfs/dbraw/zinc/57/41/45/1134574145.db2.gz LWHMCCKRDLDJKR-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM Cc1cnc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)c(C)c1 ZINC001189356534 1134579773 /nfs/dbraw/zinc/57/97/73/1134579773.db2.gz QNJFQDVEYXOQCW-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2c(C)cc(F)cc2C)c1 ZINC001189613540 1134606075 /nfs/dbraw/zinc/60/60/75/1134606075.db2.gz LEJJPDACIARNMK-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2)N=NC3)c1 ZINC001189614027 1134606364 /nfs/dbraw/zinc/60/63/64/1134606364.db2.gz WAEDDHGYHWZBQW-UHFFFAOYSA-N -1 0 337.788 3.747 20 0 EHADRM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(C2CCC2)cc1 ZINC000791813674 1134608096 /nfs/dbraw/zinc/60/80/96/1134608096.db2.gz PGEHHURPILSGBH-AWEZNQCLSA-N -1 0 343.448 3.775 20 0 EHADRM CCOc1ccc(C)cc1[N-]S(=O)(=O)Cc1cc(F)ccc1F ZINC001189686873 1134611287 /nfs/dbraw/zinc/61/12/87/1134611287.db2.gz LYBPYRCDVPPELD-UHFFFAOYSA-N -1 0 341.379 3.614 20 0 EHADRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1cnc(Cl)c(C)c1 ZINC000775295202 1134616894 /nfs/dbraw/zinc/61/68/94/1134616894.db2.gz JHDCHNYLKRMHKE-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000775287734 1134618287 /nfs/dbraw/zinc/61/82/87/1134618287.db2.gz FILGFOXRNPJSLN-AWEZNQCLSA-N -1 0 343.514 3.776 20 0 EHADRM CC[C@H](C)[C@@H]([N-]S(=O)(=O)CC12CCC(CC1)CC2)C(F)(F)F ZINC001189740205 1134619280 /nfs/dbraw/zinc/61/92/80/1134619280.db2.gz HLJOXLHTNYPZHX-RJZJGCCBSA-N -1 0 341.439 3.853 20 0 EHADRM O=S(=O)(CCCF)[N-]c1cccc(F)c1OC1CCCCC1 ZINC001189919807 1134636003 /nfs/dbraw/zinc/63/60/03/1134636003.db2.gz NCIJQPOTPBKRML-UHFFFAOYSA-N -1 0 333.400 3.639 20 0 EHADRM O=C(Nc1c[nH]c2cccnc12)c1cc(Br)ccc1[S-] ZINC001189950466 1134640609 /nfs/dbraw/zinc/64/06/09/1134640609.db2.gz ATSLPHCKBASFPR-UHFFFAOYSA-N -1 0 348.225 3.866 20 0 EHADRM CN(C[C@@H]1CC1(C)C)C(=O)c1cc(Br)ccc1[S-] ZINC001189950432 1134641039 /nfs/dbraw/zinc/64/10/39/1134641039.db2.gz KPTHMFPLWZZHNE-VIFPVBQESA-N -1 0 328.275 3.856 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1ccnn1-c1ccccc1 ZINC000792232999 1134669886 /nfs/dbraw/zinc/66/98/86/1134669886.db2.gz XJUVTVACVUNUFN-UHFFFAOYSA-N -1 0 336.376 3.555 20 0 EHADRM CC[C@@H](C)C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000772792640 1134684143 /nfs/dbraw/zinc/68/41/43/1134684143.db2.gz RLFUOCRMESOOID-BDAKNGLRSA-N -1 0 338.256 3.547 20 0 EHADRM O=S(=O)([N-][C@@H](c1ccccc1)C1CC1)c1cc(F)cc(F)c1F ZINC001190348837 1134687124 /nfs/dbraw/zinc/68/71/24/1134687124.db2.gz BMNZMHOFPLFTSP-INIZCTEOSA-N -1 0 341.354 3.534 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2noc3cccnc32)cc1 ZINC001190422570 1134697600 /nfs/dbraw/zinc/69/76/00/1134697600.db2.gz HHMSOPRRMMGKOW-UHFFFAOYSA-N -1 0 345.424 3.711 20 0 EHADRM O=S(=O)(NCc1ccc(C2CCCCC2)cc1)c1ccccc1[O-] ZINC001190621930 1134721387 /nfs/dbraw/zinc/72/13/87/1134721387.db2.gz SQEIJMYQIHZLFW-UHFFFAOYSA-N -1 0 345.464 3.918 20 0 EHADRM CCc1nccc(C)c1[N-]S(=O)(=O)c1cccc2cc(C)cnc21 ZINC001191157651 1134803817 /nfs/dbraw/zinc/80/38/17/1134803817.db2.gz INPQEVHUBQRSCJ-UHFFFAOYSA-N -1 0 341.436 3.610 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cncc(C(C)C)c2)c1 ZINC001191157593 1134804136 /nfs/dbraw/zinc/80/41/36/1134804136.db2.gz FNPHCCGBMDLWOQ-UHFFFAOYSA-N -1 0 341.436 3.862 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)Nc3cc(=O)[n-]c(Cl)n3)cc2)o1 ZINC001191196910 1134812993 /nfs/dbraw/zinc/81/29/93/1134812993.db2.gz OBEUOYDPIMPMHI-UHFFFAOYSA-N -1 0 329.743 3.656 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2nsc3ncccc23)cc1 ZINC001191233995 1134832942 /nfs/dbraw/zinc/83/29/42/1134832942.db2.gz WDLRIPMEJLDIHG-UHFFFAOYSA-N -1 0 347.465 3.835 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cnn3cc(F)ccc23)cc1 ZINC001191233739 1134833061 /nfs/dbraw/zinc/83/30/61/1134833061.db2.gz ZSLRYKLQCXJIDW-UHFFFAOYSA-N -1 0 347.415 3.617 20 0 EHADRM Cc1ccc(F)cc1NC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001191421128 1134864742 /nfs/dbraw/zinc/86/47/42/1134864742.db2.gz PXNYIMOMOVWCEJ-UHFFFAOYSA-N -1 0 326.331 3.669 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc2ccccc2cn1 ZINC001191787433 1134922558 /nfs/dbraw/zinc/92/25/58/1134922558.db2.gz KMUJDMYFYYXOAD-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(C)cc(Cl)n1 ZINC001191788541 1134923282 /nfs/dbraw/zinc/92/32/82/1134923282.db2.gz XMSLPLWZSGTWBF-UHFFFAOYSA-N -1 0 340.832 3.551 20 0 EHADRM O=S(=O)(Cc1ccc(Cl)cc1F)[N-]c1cccc2cnoc21 ZINC001191905469 1134942704 /nfs/dbraw/zinc/94/27/04/1134942704.db2.gz UGXCAJOYODVXDN-UHFFFAOYSA-N -1 0 340.763 3.562 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cc1Cl)C(Cl)(Cl)Cl ZINC001192031852 1134957997 /nfs/dbraw/zinc/95/79/97/1134957997.db2.gz IOXNIHOZRDMECV-UHFFFAOYSA-N -1 0 326.991 3.549 20 0 EHADRM Cc1cccc(C2CC2)c1[N-]S(=O)(=O)C(Cl)(Cl)Cl ZINC001192041475 1134959549 /nfs/dbraw/zinc/95/95/49/1134959549.db2.gz XFYSKPNMQZBPRM-UHFFFAOYSA-N -1 0 328.648 3.942 20 0 EHADRM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1cccc2ccc(O)cc21 ZINC001192358149 1135005502 /nfs/dbraw/zinc/00/55/02/1135005502.db2.gz YWKIAQTYUJJFPV-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM CCCCN(Cc1ccccc1)C(=O)c1cc(C(=O)OC)ccc1[O-] ZINC001192387515 1135010294 /nfs/dbraw/zinc/01/02/94/1135010294.db2.gz LBAQKRKBWJWWCR-UHFFFAOYSA-N -1 0 341.407 3.621 20 0 EHADRM Cc1cc(Cl)cc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)c1 ZINC001192570684 1135031899 /nfs/dbraw/zinc/03/18/99/1135031899.db2.gz RCJNRVRFHSDCGI-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C)c2C)cnc1Cl ZINC001192572422 1135038901 /nfs/dbraw/zinc/03/89/01/1135038901.db2.gz WDALQVWTVXHFCV-UHFFFAOYSA-N -1 0 328.796 3.600 20 0 EHADRM Cc1cnn(-c2ccc(C)cc2)c1NC(=O)c1cc(O)cc(F)c1F ZINC001192661465 1135046504 /nfs/dbraw/zinc/04/65/04/1135046504.db2.gz YGGANNAFZOLULB-UHFFFAOYSA-N -1 0 343.333 3.725 20 0 EHADRM Cc1cc(OC(F)F)ccc1NC(=O)c1c(F)ccc(F)c1[O-] ZINC001192707553 1135050090 /nfs/dbraw/zinc/05/00/90/1135050090.db2.gz ZUKFXSHGORPYAT-UHFFFAOYSA-N -1 0 329.249 3.833 20 0 EHADRM CCC[C@H](C(=O)c1ccccc1)N(C)C(=O)c1ccc(F)c(F)c1[O-] ZINC001192806786 1135056812 /nfs/dbraw/zinc/05/68/12/1135056812.db2.gz LECUDLNWLYSDGQ-OAHLLOKOSA-N -1 0 347.361 3.794 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cccc3oc(C)nc32)c1 ZINC001192805939 1135056853 /nfs/dbraw/zinc/05/68/53/1135056853.db2.gz WXFLVNGJSIEEPX-UHFFFAOYSA-N -1 0 346.408 3.508 20 0 EHADRM O=S(=O)([N-]c1ccccc1-c1ccco1)c1cnccc1Cl ZINC001192900687 1135070739 /nfs/dbraw/zinc/07/07/39/1135070739.db2.gz OJKIBZHYENQLOC-UHFFFAOYSA-N -1 0 334.784 3.796 20 0 EHADRM O=S(=O)(NCc1ccc(-c2ccccc2)s1)c1ccccc1[O-] ZINC001192914787 1135072639 /nfs/dbraw/zinc/07/26/39/1135072639.db2.gz YAQNYZUWNJJOTK-UHFFFAOYSA-N -1 0 345.445 3.599 20 0 EHADRM O=C(Nc1c(Cl)ccc([O-])c1Cl)c1ccc(F)c([O-])c1F ZINC001193783400 1135179564 /nfs/dbraw/zinc/17/95/64/1135179564.db2.gz AJYBXWQVFBGNCQ-UHFFFAOYSA-N -1 0 334.105 3.935 20 0 EHADRM N=C(NC(=O)c1ccc(F)c([O-])c1F)C12CC3CC(CC(C3)C1)C2 ZINC001193789685 1135181123 /nfs/dbraw/zinc/18/11/23/1135181123.db2.gz VJZKUHVEVZVSOL-UHFFFAOYSA-N -1 0 334.366 3.594 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)N(C(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC000804780658 1135189165 /nfs/dbraw/zinc/18/91/65/1135189165.db2.gz DWDSFXNTNNRUHU-SUMWQHHRSA-N -1 0 333.391 3.559 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cn(CC3CC3)cn2)c2ccccc12 ZINC001193833772 1135190885 /nfs/dbraw/zinc/19/08/85/1135190885.db2.gz HIJHJEHONKFHBB-UHFFFAOYSA-N -1 0 341.436 3.556 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2ccc(C)c3ccccc32)cc(C)n1 ZINC001193834943 1135191914 /nfs/dbraw/zinc/19/19/14/1135191914.db2.gz XBQUSFIFCDIISP-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM Nc1ccccc1S(=O)(=O)[N-]c1ccccc1OC1CCCCC1 ZINC001193930100 1135201010 /nfs/dbraw/zinc/20/10/10/1135201010.db2.gz UKXVEAAXAXCZLI-UHFFFAOYSA-N -1 0 346.452 3.781 20 0 EHADRM Cc1ncccc1[N-]S(=O)(=O)c1ccc2c(Cl)cccc2c1 ZINC001194215499 1135245201 /nfs/dbraw/zinc/24/52/01/1135245201.db2.gz GWNKEBQFTZRVOP-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cccc([C@@H]2CCOC2)c1 ZINC000805260953 1135254879 /nfs/dbraw/zinc/25/48/79/1135254879.db2.gz ZXNFHTKJGCWCSO-GFCCVEGCSA-N -1 0 335.762 3.941 20 0 EHADRM Cc1cc(N)ncc1C(=O)Nc1cc(Cl)c(C)c(Cl)c1[O-] ZINC001194350065 1135257796 /nfs/dbraw/zinc/25/77/96/1135257796.db2.gz HASVTSCGRJMUOI-UHFFFAOYSA-N -1 0 326.183 3.545 20 0 EHADRM O=S(=O)([N-]c1ccc(F)nc1)c1cccc2c(Cl)cccc21 ZINC001194410498 1135266034 /nfs/dbraw/zinc/26/60/34/1135266034.db2.gz BMWJISVUONLZCX-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM CCn1cnc([N-]S(=O)(=O)c2cccc3c(Cl)cccc32)c1 ZINC001194412920 1135266798 /nfs/dbraw/zinc/26/67/98/1135266798.db2.gz KGLOJSGGJCMRTP-UHFFFAOYSA-N -1 0 335.816 3.510 20 0 EHADRM C[C@H](OC(=O)c1c(F)cc([O-])cc1F)c1nccn1-c1ccccc1 ZINC000805456281 1135274355 /nfs/dbraw/zinc/27/43/55/1135274355.db2.gz LEEZZERJEZTCRB-NSHDSACASA-N -1 0 344.317 3.774 20 0 EHADRM Cc1cccc(O)c1[N-]S(=O)(=O)c1cccc2c(Cl)nccc21 ZINC001194490036 1135278387 /nfs/dbraw/zinc/27/83/87/1135278387.db2.gz ABFASMVIKIRJED-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM O=S(=O)([N-]c1ccccc1Cl)c1ncccc1C(F)(F)F ZINC001194524366 1135281082 /nfs/dbraw/zinc/28/10/82/1135281082.db2.gz KOQGFSLRRJJJJA-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM O=C([N-]C1=NCC(=O)C=C1Cl)Oc1ccc(Br)cc1 ZINC001194576927 1135288197 /nfs/dbraw/zinc/28/81/97/1135288197.db2.gz HQUUDUYQDPERSN-UHFFFAOYSA-N -1 0 343.564 3.814 20 0 EHADRM Cc1ccc2nc([N-]S(=O)(=O)c3c(C)cccc3C)ccc2c1 ZINC001194605641 1135292515 /nfs/dbraw/zinc/29/25/15/1135292515.db2.gz QKZGMIHAERXTGI-UHFFFAOYSA-N -1 0 326.421 3.961 20 0 EHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1cc2ccccc2cc1O ZINC001194639989 1135295067 /nfs/dbraw/zinc/29/50/67/1135295067.db2.gz XUTQEUFMOWBSQT-UHFFFAOYSA-N -1 0 327.405 3.963 20 0 EHADRM COc1cc(C)cc(NS(=O)(=O)c2c(C)cc(OC)c(C)c2C)c1 ZINC001194865238 1135332547 /nfs/dbraw/zinc/33/25/47/1135332547.db2.gz ZZBFAIWYUDZQQK-UHFFFAOYSA-N -1 0 349.452 3.738 20 0 EHADRM C[C@H]1CC/C(=C/C(=O)[N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)C1 ZINC000752608234 1135357006 /nfs/dbraw/zinc/35/70/06/1135357006.db2.gz AQNBFSDBRUSKOU-NIANNCQZSA-N -1 0 341.498 3.597 20 0 EHADRM Cc1cc(F)ccc1CS(=O)(=O)[N-]C(=O)CCCCC(C)(C)C ZINC000805928651 1135357291 /nfs/dbraw/zinc/35/72/91/1135357291.db2.gz RKSUGAVEFRPZJA-UHFFFAOYSA-N -1 0 343.464 3.687 20 0 EHADRM CC1(S(=O)(=O)[N-]C(=O)c2cc(-c3ccccc3)ccc2Cl)CC1 ZINC000806029914 1135375510 /nfs/dbraw/zinc/37/55/10/1135375510.db2.gz UOBXTWCWKKGHQZ-UHFFFAOYSA-N -1 0 349.839 3.619 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc3nccnc23)c1 ZINC001195157002 1135383720 /nfs/dbraw/zinc/38/37/20/1135383720.db2.gz ZZSWMNUXKRXQEN-UHFFFAOYSA-N -1 0 327.409 3.554 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2c(C)cccc2Cl)cc(Cl)n1 ZINC001195276898 1135403393 /nfs/dbraw/zinc/40/33/93/1135403393.db2.gz AAHWABBWZNIMDF-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM CN(C(=O)c1c([O-])c(F)c(F)c(F)c1F)[C@H]1CCc2ccccc21 ZINC001195296881 1135408261 /nfs/dbraw/zinc/40/82/61/1135408261.db2.gz WIBJTAPPCGRNKB-JTQLQIEISA-N -1 0 339.288 3.708 20 0 EHADRM COc1ccccc1OC(=O)Nc1c(C)c(=O)[n-]n1-c1ccccc1 ZINC001195299588 1135408775 /nfs/dbraw/zinc/40/87/75/1135408775.db2.gz FOWSIARXHLTUTO-UHFFFAOYSA-N -1 0 339.351 3.506 20 0 EHADRM COc1ccc(OC)c([C@H](C)NC(=O)c2cccc(Cl)c2[O-])c1 ZINC000775647627 1135408962 /nfs/dbraw/zinc/40/89/62/1135408962.db2.gz ZTEXUVCQAPVDOU-JTQLQIEISA-N -1 0 335.787 3.554 20 0 EHADRM COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC001195310007 1135411965 /nfs/dbraw/zinc/41/19/65/1135411965.db2.gz RJZFHQSNDCIYMZ-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM CC(C)(C)NC(=O)c1ccc(NC(=O)c2cccc(Cl)c2[O-])cc1 ZINC000775652323 1135417241 /nfs/dbraw/zinc/41/72/41/1135417241.db2.gz XTMGQJYPQMZOCO-UHFFFAOYSA-N -1 0 346.814 3.826 20 0 EHADRM O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cccc(Cl)c1[O-] ZINC000775653599 1135419634 /nfs/dbraw/zinc/41/96/34/1135419634.db2.gz KBNYUWNQSXNCEA-AWEZNQCLSA-N -1 0 347.798 3.856 20 0 EHADRM CCOC(=O)NC(=S)Nc1cc(F)ccc1OC(CC)CC ZINC001195493195 1135432599 /nfs/dbraw/zinc/43/25/99/1135432599.db2.gz ZXHWOUAZIIEFIS-UHFFFAOYSA-N -1 0 328.409 3.836 20 0 EHADRM CCOC(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2[O-])cc1 ZINC000775664053 1135438155 /nfs/dbraw/zinc/43/81/55/1135438155.db2.gz QLLPTHGOXSSESV-UHFFFAOYSA-N -1 0 334.759 3.866 20 0 EHADRM COCCOc1ccc(NC(=O)c2cccc(Cl)c2[O-])c(C)c1 ZINC000775664671 1135438968 /nfs/dbraw/zinc/43/89/68/1135438968.db2.gz ORMSHAKSJVXKHG-UHFFFAOYSA-N -1 0 335.787 3.632 20 0 EHADRM Cc1ccc(N2CCCN(C(=O)c3cccc(Cl)c3[O-])CC2)cc1 ZINC000775665526 1135444775 /nfs/dbraw/zinc/44/47/75/1135444775.db2.gz FCCNIVRAXNHBPH-UHFFFAOYSA-N -1 0 344.842 3.707 20 0 EHADRM C[C@H](C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1)c1ccsc1 ZINC000121428849 1135484590 /nfs/dbraw/zinc/48/45/90/1135484590.db2.gz HBBOWQROVLRNKC-LBPRGKRZSA-N -1 0 345.445 3.510 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)c2c(C)nc(C(C)(C)C)[nH]c2=O)s1 ZINC000747368396 1135514081 /nfs/dbraw/zinc/51/40/81/1135514081.db2.gz FOGQATJMQMIUTE-SNVBAGLBSA-N -1 0 333.457 3.649 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc(Cl)cn1 ZINC001196244005 1135539734 /nfs/dbraw/zinc/53/97/34/1135539734.db2.gz DTZIFWMYLNROHG-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnc3cccc(F)c3c2)c(F)c1 ZINC001196354178 1135551434 /nfs/dbraw/zinc/55/14/34/1135551434.db2.gz NDCOHLLUILRJQF-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM CCc1cnc([N-]S(=O)(=O)c2ccc3cc(Cl)ccc3c2)cn1 ZINC001196413748 1135560459 /nfs/dbraw/zinc/56/04/59/1135560459.db2.gz CWMFELOCJKXJMO-UHFFFAOYSA-N -1 0 347.827 3.646 20 0 EHADRM COc1ccncc1[N-]S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC001196414280 1135560809 /nfs/dbraw/zinc/56/08/09/1135560809.db2.gz KYPVHTQUPFDRLT-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM O=S(=O)([N-]c1ncc(F)s1)c1ccc2cc(Cl)ccc2c1 ZINC001196415001 1135560949 /nfs/dbraw/zinc/56/09/49/1135560949.db2.gz WYIDLXFKINQXMQ-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM O=C(Nc1cccc(Cn2cccn2)c1)c1cc(Cl)c(F)cc1[O-] ZINC001196466391 1135563748 /nfs/dbraw/zinc/56/37/48/1135563748.db2.gz IBEVQGWISDCUMG-UHFFFAOYSA-N -1 0 345.761 3.682 20 0 EHADRM CN(C(=O)c1cc(Cl)c(F)cc1[O-])[C@@H](C1CCC1)C(F)(F)F ZINC001196468339 1135564943 /nfs/dbraw/zinc/56/49/43/1135564943.db2.gz WGSAKBXXSSHUFO-LBPRGKRZSA-N -1 0 339.716 3.988 20 0 EHADRM COc1cccc(-c2noc(NCc3nccn3-c3ccccc3)n2)c1 ZINC000808051627 1135614563 /nfs/dbraw/zinc/61/45/63/1135614563.db2.gz CWUFFCYGNKLSEV-UHFFFAOYSA-N -1 0 347.378 3.543 20 0 EHADRM CC(C)c1scnc1[N-]S(=O)(=O)c1cccc2c1CCCC2 ZINC000808128748 1135616129 /nfs/dbraw/zinc/61/61/29/1135616129.db2.gz FUKDMRYUFHCADY-UHFFFAOYSA-N -1 0 336.482 3.946 20 0 EHADRM CN1CCCN(C(=O)c2cccc(Cl)c2[O-])c2cc(F)ccc21 ZINC000775755002 1135638490 /nfs/dbraw/zinc/63/84/90/1135638490.db2.gz DFBGAWUZCAMIBH-UHFFFAOYSA-N -1 0 334.778 3.671 20 0 EHADRM C[C@H]1CN(C(=O)c2cccc(Cl)c2[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000775756324 1135643583 /nfs/dbraw/zinc/64/35/83/1135643583.db2.gz FWEIDIRWPUMSJW-ZBEGNZNMSA-N -1 0 349.789 3.787 20 0 EHADRM Cc1ccccc1[C@H]1CN(C(=O)c2cccc(Cl)c2[O-])CCO1 ZINC000775757261 1135645388 /nfs/dbraw/zinc/64/53/88/1135645388.db2.gz ZIVWJZGYWHFLOZ-MRXNPFEDSA-N -1 0 331.799 3.568 20 0 EHADRM CN(Cc1ccc(Cl)cc1)C(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197096092 1135645470 /nfs/dbraw/zinc/64/54/70/1135645470.db2.gz SDEUQRAPHVAXKK-UHFFFAOYSA-N -1 0 334.828 3.867 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2cc(Cl)ncc2Cl)cc1 ZINC001197076236 1135647490 /nfs/dbraw/zinc/64/74/90/1135647490.db2.gz BTOKXTLWGWPSBG-UHFFFAOYSA-N -1 0 342.207 3.896 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N[C@@H](c2ccccc2)C2CC2)cc1 ZINC001197075230 1135647602 /nfs/dbraw/zinc/64/76/02/1135647602.db2.gz GQBQOGHQXPSIGC-INIZCTEOSA-N -1 0 326.421 3.823 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N[C@@H]2CCCc3cc(F)ccc32)cc1 ZINC001197138686 1135648883 /nfs/dbraw/zinc/64/88/83/1135648883.db2.gz MDEOVDQQHJDJOG-MRXNPFEDSA-N -1 0 344.411 3.888 20 0 EHADRM COc1cccc(C(C)(C)NC(=S)Nc2ccc(C(=O)[O-])cc2)c1 ZINC001197139048 1135649556 /nfs/dbraw/zinc/64/95/56/1135649556.db2.gz ORTPVBYBIGUGMA-UHFFFAOYSA-N -1 0 344.436 3.615 20 0 EHADRM CCC[C@H](C)c1cc([N-]S(=O)(=O)Cc2cccc(OC)c2)on1 ZINC001197345139 1135675784 /nfs/dbraw/zinc/67/57/84/1135675784.db2.gz BMMJKNMDWADELD-LBPRGKRZSA-N -1 0 338.429 3.529 20 0 EHADRM O=C(NCc1c(F)c(F)cc(F)c1F)c1cccc(Cl)c1[O-] ZINC000775773339 1135687519 /nfs/dbraw/zinc/68/75/19/1135687519.db2.gz WVXWVLIIJIXHQH-UHFFFAOYSA-N -1 0 333.668 3.532 20 0 EHADRM [O-]c1cc(NC(=S)NCc2ccc(Cl)cc2)cc(F)c1F ZINC001197577855 1135702601 /nfs/dbraw/zinc/70/26/01/1135702601.db2.gz GNEMOFVTBNVEEJ-UHFFFAOYSA-N -1 0 328.771 3.810 20 0 EHADRM CC(C)(CO)[C@@H](CNC(=O)c1cccc(Cl)c1[O-])c1ccccc1 ZINC000775781523 1135722190 /nfs/dbraw/zinc/72/21/90/1135722190.db2.gz OCFJAZKJEJKXLW-HNNXBMFYSA-N -1 0 347.842 3.578 20 0 EHADRM O=S(=O)(Cc1ccccn1)[N-]c1ccccc1OC1CCCCC1 ZINC001197829440 1135744620 /nfs/dbraw/zinc/74/46/20/1135744620.db2.gz SJLHIQXTRKUVNO-UHFFFAOYSA-N -1 0 346.452 3.735 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2cccc(SC(F)(F)F)c2)c1 ZINC001198000474 1135760429 /nfs/dbraw/zinc/76/04/29/1135760429.db2.gz YPJMDISREFUYAA-UHFFFAOYSA-N -1 0 348.371 3.803 20 0 EHADRM Cc1ccc(-c2ccccc2[N-]S(=O)(=O)c2cc(C)ccn2)o1 ZINC001198005193 1135760967 /nfs/dbraw/zinc/76/09/67/1135760967.db2.gz BLAPMFWEJFQVNA-UHFFFAOYSA-N -1 0 328.393 3.759 20 0 EHADRM [O-]c1cc(F)cnc1NC(=S)Nc1cccc(C(F)(F)F)c1 ZINC001198035214 1135768320 /nfs/dbraw/zinc/76/83/20/1135768320.db2.gz OIZGHHMBGSPAIE-UHFFFAOYSA-N -1 0 331.294 3.754 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)ccc1Cl)c1cccc(Cl)n1 ZINC001198232526 1135788887 /nfs/dbraw/zinc/78/88/87/1135788887.db2.gz CAQDGEJHIRPKDJ-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM Cc1ccc(OC(C)C)cc1[N-]S(=O)(=O)c1cccc(Cl)n1 ZINC001198233492 1135789905 /nfs/dbraw/zinc/78/99/05/1135789905.db2.gz MDUCAHRKEPFODJ-UHFFFAOYSA-N -1 0 340.832 3.631 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(Cl)c(Cl)c2)cn1 ZINC001198325004 1135801312 /nfs/dbraw/zinc/80/13/12/1135801312.db2.gz JVNGGJOMYZEDQJ-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM CC(C)c1ccc(-c2noc(C(C)(C)[N-]C(=O)C(F)(F)F)n2)cc1 ZINC000809251200 1135809198 /nfs/dbraw/zinc/80/91/98/1135809198.db2.gz NDMUNBDDNGHCGJ-UHFFFAOYSA-N -1 0 341.333 3.774 20 0 EHADRM Cc1ncc(S(=O)(=O)[N-]c2cc(C)ccc2-c2ccccc2)n1C ZINC001198406982 1135811523 /nfs/dbraw/zinc/81/15/23/1135811523.db2.gz ULPZOWJCXUNLFE-UHFFFAOYSA-N -1 0 341.436 3.505 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc3occc3c2)cnc1OC(C)C ZINC001198828181 1135856937 /nfs/dbraw/zinc/85/69/37/1135856937.db2.gz FBJHWSGUFDUIRF-UHFFFAOYSA-N -1 0 346.408 3.724 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1ccnc(C(F)(F)F)c1 ZINC000809769731 1135880543 /nfs/dbraw/zinc/88/05/43/1135880543.db2.gz JXQVLWIBQJUVPV-UHFFFAOYSA-N -1 0 334.656 3.851 20 0 EHADRM COc1ccccc1-n1nccc1Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203322407 1135912156 /nfs/dbraw/zinc/91/21/56/1135912156.db2.gz CSACOPQFOGIYFM-UHFFFAOYSA-N -1 0 345.305 3.601 20 0 EHADRM CSc1ccc(NC(=S)Nc2ncc(Cl)cc2[O-])cc1 ZINC001201176573 1135992502 /nfs/dbraw/zinc/99/25/02/1135992502.db2.gz CNMUTWRULBDJMY-UHFFFAOYSA-N -1 0 325.846 3.971 20 0 EHADRM CCc1cccc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)n1 ZINC001201252043 1135999208 /nfs/dbraw/zinc/99/92/08/1135999208.db2.gz QYURTWFAPBAPAN-UHFFFAOYSA-N -1 0 349.214 3.891 20 0 EHADRM O=C([O-])c1c(F)cc(Nc2cccc(Cn3ccnc3)c2)cc1F ZINC001203324903 1136053721 /nfs/dbraw/zinc/05/37/21/1136053721.db2.gz RYQNBSHLEYVYAT-UHFFFAOYSA-N -1 0 329.306 3.651 20 0 EHADRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cn3ccccc3n2)c(C)c1C ZINC001201792560 1136062838 /nfs/dbraw/zinc/06/28/38/1136062838.db2.gz KUFVLHZVLYORFW-UHFFFAOYSA-N -1 0 343.452 3.677 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000811816203 1136144885 /nfs/dbraw/zinc/14/48/85/1136144885.db2.gz OSLITJMDYNYKMM-AWEZNQCLSA-N -1 0 343.810 3.743 20 0 EHADRM Cc1ccc([C@@H](C)CNC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000811819176 1136145533 /nfs/dbraw/zinc/14/55/33/1136145533.db2.gz IGZMFEUXIGTFCK-LBPRGKRZSA-N -1 0 331.799 3.880 20 0 EHADRM O=S(=O)(N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)c1sccc1F ZINC000338909114 1136145559 /nfs/dbraw/zinc/14/55/59/1136145559.db2.gz XLLOKGLPCGCZSD-WRWORJQWSA-N -1 0 349.811 3.514 20 0 EHADRM CC(C(=O)N(C(C)C)C(C)C)=S([O-])c1cccc(C(F)(F)F)c1 ZINC000107996437 1136181403 /nfs/dbraw/zinc/18/14/03/1136181403.db2.gz JIWRFPANEPTRPC-SPSFWMDKSA-N -1 0 349.418 3.847 20 0 EHADRM CC(C)(C(=O)[N-]OC/C=C\Cl)c1ccc(Br)cc1 ZINC000812397406 1136204166 /nfs/dbraw/zinc/20/41/66/1136204166.db2.gz FUCLCPMLYKVFKX-BAQGIRSFSA-N -1 0 332.625 3.527 20 0 EHADRM O=C(COC(c1ccccc1)c1ccccc1)[N-]OC/C=C\Cl ZINC000812397554 1136204311 /nfs/dbraw/zinc/20/43/11/1136204311.db2.gz GPSMYIUYRVDJHZ-GHXNOFRVSA-N -1 0 331.799 3.593 20 0 EHADRM O=C(Cc1ccc(Cl)s1)N=c1nc(-c2ccsc2)[n-]s1 ZINC000509470350 1136218413 /nfs/dbraw/zinc/21/84/13/1136218413.db2.gz LJWTYRIUFRJONV-UHFFFAOYSA-N -1 0 341.870 3.585 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2nc(Cl)ccc2Cl)c1 ZINC000812706108 1136235423 /nfs/dbraw/zinc/23/54/23/1136235423.db2.gz IMCMNWTWPXAFML-UHFFFAOYSA-N -1 0 339.178 3.939 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C(F)(F)c2ccccc2F)c1 ZINC000812706941 1136235753 /nfs/dbraw/zinc/23/57/53/1136235753.db2.gz DEBYKPGDZZEMNK-UHFFFAOYSA-N -1 0 337.297 3.855 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccc2ccccc2c1)C1CCC2(CC2)CC1 ZINC000850730687 1136298441 /nfs/dbraw/zinc/29/84/41/1136298441.db2.gz FFQBXAHUZSTOQE-UHFFFAOYSA-N -1 0 343.448 3.615 20 0 EHADRM CC1=CC[C@@](C)(C(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000850731217 1136298551 /nfs/dbraw/zinc/29/85/51/1136298551.db2.gz MTWATELMBQRZAM-LJQANCHMSA-N -1 0 343.448 3.781 20 0 EHADRM O=S(=O)([N-]c1c(Cl)cccc1C(F)(F)F)C(F)(F)F ZINC001252355633 1136308068 /nfs/dbraw/zinc/30/80/68/1136308068.db2.gz VOMNONDQCVGZDN-UHFFFAOYSA-N -1 0 327.633 3.620 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)[C@]1(C)CC=C(C)CC1 ZINC000850920346 1136318489 /nfs/dbraw/zinc/31/84/89/1136318489.db2.gz WPQCQHZXXIZWGR-MRXNPFEDSA-N -1 0 341.860 3.590 20 0 EHADRM CCCCCC(C)(C)C(=O)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000851246970 1136357438 /nfs/dbraw/zinc/35/74/38/1136357438.db2.gz JNBLDIFIPJTHSP-UHFFFAOYSA-N -1 0 337.441 3.844 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C1CCCCCCC1 ZINC000814015589 1136386476 /nfs/dbraw/zinc/38/64/76/1136386476.db2.gz GQDSKDYUPZMMFK-QGZVFWFLSA-N -1 0 337.485 3.944 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cc2ccccc2o1 ZINC000814019171 1136387070 /nfs/dbraw/zinc/38/70/70/1136387070.db2.gz VQZGCUVJPRJIOY-QGZVFWFLSA-N -1 0 343.404 3.644 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCC1CCCCC1 ZINC000814019995 1136387156 /nfs/dbraw/zinc/38/71/56/1136387156.db2.gz PBMUWQGAAHKHDT-KRWDZBQOSA-N -1 0 337.485 3.944 20 0 EHADRM CCC(CC)[C@@H](C)C(=O)[N-]S(=O)(=O)[C@H](CC)c1ccccc1 ZINC000814018117 1136387300 /nfs/dbraw/zinc/38/73/00/1136387300.db2.gz JJXJGIBCRNPCKM-CZUORRHYSA-N -1 0 325.474 3.656 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N2CCC[C@@H]2CC2CCCCC2)o1 ZINC000851595864 1136395564 /nfs/dbraw/zinc/39/55/64/1136395564.db2.gz QYIUSIMQPNOGDR-SLZMIMFISA-N -1 0 331.412 3.952 20 0 EHADRM CC[C@H](Cc1ccccc1)N(CC)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851602341 1136395845 /nfs/dbraw/zinc/39/58/45/1136395845.db2.gz RUDLOQNDFWVSGA-DVFVSVACSA-N -1 0 341.407 3.861 20 0 EHADRM C[C@H]1N(C(=O)c2ccc(/C=C\C(=O)[O-])o2)c2ccccc2C1(C)C ZINC000851621434 1136396647 /nfs/dbraw/zinc/39/66/47/1136396647.db2.gz SRYUWQSWVQJJFF-UCQJPZFISA-N -1 0 325.364 3.704 20 0 EHADRM O=S(=O)([N-]c1cccc(C(F)(F)F)n1)c1ccc(Cl)cc1 ZINC000110121649 1136399255 /nfs/dbraw/zinc/39/92/55/1136399255.db2.gz OEYLSQUCFWKNHI-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2-c2noc(C)n2)s1 ZINC000814211019 1136422632 /nfs/dbraw/zinc/42/26/32/1136422632.db2.gz NUASNAMJQGJFFA-UHFFFAOYSA-N -1 0 349.437 3.524 20 0 EHADRM C[C@H](Nc1cccc(S(=O)(=O)[O-])n1)c1ccccc1C(F)(F)F ZINC001170735818 1136429806 /nfs/dbraw/zinc/42/98/06/1136429806.db2.gz VXBYXZLLCIYBFG-VIFPVBQESA-N -1 0 346.330 3.520 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000776629117 1136491141 /nfs/dbraw/zinc/49/11/41/1136491141.db2.gz BLJVEWXCFMBCSN-FQEVSTJZSA-N -1 0 342.439 3.810 20 0 EHADRM O=C([N-]C1(c2csc(-c3ccc[nH]3)n2)CCCCC1)C(F)(F)F ZINC000853003960 1136496605 /nfs/dbraw/zinc/49/66/05/1136496605.db2.gz QHHMDSFVYMTOPO-UHFFFAOYSA-N -1 0 343.374 3.976 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2F)cc1C ZINC000776655400 1136523447 /nfs/dbraw/zinc/52/34/47/1136523447.db2.gz WXUYXTVGEYRAPP-INIZCTEOSA-N -1 0 333.334 3.527 20 0 EHADRM Cc1cc(C)cc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2F)c1 ZINC000776657128 1136526978 /nfs/dbraw/zinc/52/69/78/1136526978.db2.gz AJSLGSFXGNXFSX-MRXNPFEDSA-N -1 0 333.334 3.527 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(Cl)s1)c1ccc(F)cc1F ZINC000776657583 1136527403 /nfs/dbraw/zinc/52/74/03/1136527403.db2.gz PXFYHFBZFWNNMZ-SNVBAGLBSA-N -1 0 345.754 3.626 20 0 EHADRM CCc1ccsc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000776659123 1136527970 /nfs/dbraw/zinc/52/79/70/1136527970.db2.gz YRZNDHBRVIDTAU-ZDUSSCGKSA-N -1 0 339.363 3.535 20 0 EHADRM CCCc1nc(C)c([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)s1 ZINC000776741733 1136617742 /nfs/dbraw/zinc/61/77/42/1136617742.db2.gz MUFUXAQOAXUHPD-UHFFFAOYSA-N -1 0 345.877 3.562 20 0 EHADRM Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC000776747279 1136624035 /nfs/dbraw/zinc/62/40/35/1136624035.db2.gz SZWHONBGDZAGPP-UHFFFAOYSA-N -1 0 347.436 3.823 20 0 EHADRM CC(C)CC(C)(C)C(=O)[N-]S(=O)(=O)[C@H](c1ccccc1)C(C)C ZINC000816108933 1136677174 /nfs/dbraw/zinc/67/71/74/1136677174.db2.gz QYRVHZLXYOLFDD-INIZCTEOSA-N -1 0 339.501 3.902 20 0 EHADRM CC(C)c1ccoc1C(=O)[N-]S(=O)(=O)[C@@H](c1ccccc1)C(C)C ZINC000816110168 1136677708 /nfs/dbraw/zinc/67/77/08/1136677708.db2.gz UPOSNKKYIZATCG-QGZVFWFLSA-N -1 0 349.452 3.860 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)/C=C/c1ccsc1 ZINC000816113398 1136678083 /nfs/dbraw/zinc/67/80/83/1136678083.db2.gz RSQQPLSSMAHUIL-IJDCCNJMSA-N -1 0 349.477 3.605 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1ccc2c(c1)CCCC2=O ZINC000816661629 1136745754 /nfs/dbraw/zinc/74/57/54/1136745754.db2.gz TUOTUQICQHOIQP-UHFFFAOYSA-N -1 0 333.746 3.956 20 0 EHADRM O=C(N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12)c1ccc2oc(=S)[n-]c2c1 ZINC000816951418 1136766418 /nfs/dbraw/zinc/76/64/18/1136766418.db2.gz OCMMZYQGGHVYGA-IAOVAPTHSA-N -1 0 336.416 3.575 20 0 EHADRM CN(C[C@H]1CCc2ccccc21)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000856304891 1136774129 /nfs/dbraw/zinc/77/41/29/1136774129.db2.gz JVRJSAASJMDKLP-CQSZACIVSA-N -1 0 338.432 3.919 20 0 EHADRM Cc1ccc(OCCCC(=O)N=c2ccc(C3CC3)n[n-]2)c(Cl)c1 ZINC000429532292 1136787587 /nfs/dbraw/zinc/78/75/87/1136787587.db2.gz YTGLJRULEUSUDX-UHFFFAOYSA-N -1 0 345.830 3.535 20 0 EHADRM O=C([N-]OCC1CC1)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC000817357141 1136798472 /nfs/dbraw/zinc/79/84/72/1136798472.db2.gz BKLJZUSYFCDIEA-KRWDZBQOSA-N -1 0 333.334 3.543 20 0 EHADRM CSC[C@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000820370501 1136991116 /nfs/dbraw/zinc/99/11/16/1136991116.db2.gz XNPHSASIANAKAN-VIFPVBQESA-N -1 0 334.268 3.914 20 0 EHADRM O=C(C=CSCc1ccco1)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000820465058 1136993989 /nfs/dbraw/zinc/99/39/89/1136993989.db2.gz BRBGQVLEDCAJKJ-CSKARUKUSA-N -1 0 341.392 3.761 20 0 EHADRM O=C(Cc1csc(C2CC2)n1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000820965345 1137012382 /nfs/dbraw/zinc/01/23/82/1137012382.db2.gz WTYYXVFLLWCALV-UHFFFAOYSA-N -1 0 331.422 3.632 20 0 EHADRM CC(C)C[C@@H](C(=O)Nc1ccc2[n-]c(=S)oc2c1)n1ccnc1 ZINC000820964975 1137012512 /nfs/dbraw/zinc/01/25/12/1137012512.db2.gz TYEAOECTELFCNQ-ZDUSSCGKSA-N -1 0 330.413 3.539 20 0 EHADRM O=S(=O)([N-]CC1(C(F)(F)F)CCCC1)c1cc2ccccc2o1 ZINC000859393466 1137013556 /nfs/dbraw/zinc/01/35/56/1137013556.db2.gz WIEXUWLPCFXUGR-UHFFFAOYSA-N -1 0 347.358 3.834 20 0 EHADRM Cc1oc(CN(Cc2cccs2)C[C@@H]2CCCO2)cc1C(=O)[O-] ZINC000859781705 1137030153 /nfs/dbraw/zinc/03/01/53/1137030153.db2.gz MJVIZEOGFUCBBI-ZDUSSCGKSA-N -1 0 335.425 3.529 20 0 EHADRM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)c1 ZINC000117229381 1137045375 /nfs/dbraw/zinc/04/53/75/1137045375.db2.gz RWLYRGVOIHXNRZ-NSHDSACASA-N -1 0 340.832 3.552 20 0 EHADRM Cc1cc(C=O)c([O-])c(C(=O)Nc2cc(-n3cccc3)ccc2F)c1 ZINC001136537673 1137049293 /nfs/dbraw/zinc/04/92/93/1137049293.db2.gz RKHPTXUPIFWXNF-UHFFFAOYSA-N -1 0 338.338 3.695 20 0 EHADRM CC[C@H]1CCc2[nH]c(=O)c(C(=O)Nc3ccc(F)c(F)c3[O-])cc2C1 ZINC000822310630 1137056386 /nfs/dbraw/zinc/05/63/86/1137056386.db2.gz UCKQJVWPNUKILT-VIFPVBQESA-N -1 0 348.349 3.538 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)N3CC(C4CCCC4)C3)c([O-])c2)o1 ZINC000822593479 1137067213 /nfs/dbraw/zinc/06/72/13/1137067213.db2.gz CPAPWKOEKUYLLG-UHFFFAOYSA-N -1 0 339.391 3.727 20 0 EHADRM COc1ccc(Cl)cc1CC(=O)Nc1c(C)cccc1C(=O)[O-] ZINC000013433291 1137082160 /nfs/dbraw/zinc/08/21/60/1137082160.db2.gz MMHFZLAMROLNFN-UHFFFAOYSA-N -1 0 333.771 3.536 20 0 EHADRM Cc1cc(NC(=O)c2c([O-])cccc2Cl)nn1-c1ccccc1 ZINC000772871638 1137102518 /nfs/dbraw/zinc/10/25/18/1137102518.db2.gz MIJPOIMQBUXRDY-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM O=S(=O)([O-])c1cccc(NCCc2ccccc2C(F)(F)F)c1 ZINC001171041018 1137121528 /nfs/dbraw/zinc/12/15/28/1137121528.db2.gz LUDCURBZWAZCAE-UHFFFAOYSA-N -1 0 345.342 3.607 20 0 EHADRM Cc1ccc(OCCN(C)C(=O)c2ccc3[n-]c(=S)oc3c2)cc1 ZINC000118759582 1137129516 /nfs/dbraw/zinc/12/95/16/1137129516.db2.gz YNSLGNCGLQRVFT-UHFFFAOYSA-N -1 0 342.420 3.576 20 0 EHADRM CC[C@](C)(NC(=O)c1cccc(C(F)(F)F)c1[O-])c1nccs1 ZINC001136872636 1137137251 /nfs/dbraw/zinc/13/72/51/1137137251.db2.gz WINYFBIEHXRTNU-AWEZNQCLSA-N -1 0 344.358 3.923 20 0 EHADRM O=C(NCC1(C(F)(F)F)CCCC1)c1ccc2oc(=S)[n-]c2c1 ZINC000863511569 1137190062 /nfs/dbraw/zinc/19/00/62/1137190062.db2.gz WCOQKVGXMNIFGH-UHFFFAOYSA-N -1 0 344.358 3.969 20 0 EHADRM CCCO[N-]C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000844083673 1137196780 /nfs/dbraw/zinc/19/67/80/1137196780.db2.gz PTQKKSATWWCSFI-UHFFFAOYSA-N -1 0 344.358 3.829 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)c1oc2ccccc2c1CSC)C(=O)[O-] ZINC000844157947 1137202503 /nfs/dbraw/zinc/20/25/03/1137202503.db2.gz MAPXZTOGXRVAPD-SMDDNHRTSA-N -1 0 349.452 3.915 20 0 EHADRM CC(C)c1csc(S([O-])=CC(=O)NC2CCCCCCC2)n1 ZINC000844288371 1137209508 /nfs/dbraw/zinc/20/95/08/1137209508.db2.gz RGFOCCFTNLXXNI-QFIPXVFZSA-N -1 0 342.530 3.603 20 0 EHADRM O=C([O-])CCN(CC1CC1)C(=O)CCc1ccc(F)c2ccccc12 ZINC000864113993 1137215671 /nfs/dbraw/zinc/21/56/71/1137215671.db2.gz DWQMADKVRHWMIW-UHFFFAOYSA-N -1 0 343.398 3.625 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)Cc1coc2c1ccc(Cl)c2Cl ZINC000864115259 1137215725 /nfs/dbraw/zinc/21/57/25/1137215725.db2.gz QEAOEURNFRMGPQ-UHFFFAOYSA-N -1 0 344.194 3.604 20 0 EHADRM COc1ccc([C@H](C)CCNC(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000864111370 1137215776 /nfs/dbraw/zinc/21/57/76/1137215776.db2.gz AXRMXUUQVFHZJS-CYBMUJFWSA-N -1 0 341.407 3.625 20 0 EHADRM C[C@@H](CCc1ccc(F)cc1)C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000864117445 1137216071 /nfs/dbraw/zinc/21/60/71/1137216071.db2.gz OHGGITDDHQRZHQ-KBXCAEBGSA-N -1 0 343.398 3.679 20 0 EHADRM O=C([O-])CCCCCCNC(=O)Cc1coc2cc(Cl)ccc12 ZINC000864122619 1137216322 /nfs/dbraw/zinc/21/63/22/1137216322.db2.gz WOWWJCPMXFZPLW-UHFFFAOYSA-N -1 0 337.803 3.780 20 0 EHADRM CCCCC[C@H](NC(=O)[C@H](C)Cc1cncc2ccccc21)C(=O)[O-] ZINC000864125767 1137216324 /nfs/dbraw/zinc/21/63/24/1137216324.db2.gz KBMBOPLWJWKSTL-KDOFPFPSSA-N -1 0 342.439 3.563 20 0 EHADRM CCc1oc2ccccc2c1CC(=O)NCCCCCCC(=O)[O-] ZINC000864122631 1137216337 /nfs/dbraw/zinc/21/63/37/1137216337.db2.gz WRPCOLWZFFTFIY-UHFFFAOYSA-N -1 0 331.412 3.689 20 0 EHADRM C[C@@H]1CCN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)[C@@H]1c1cccc(F)c1 ZINC000864130750 1137216416 /nfs/dbraw/zinc/21/64/16/1137216416.db2.gz ZOUAWKSSLSMJTP-UULLWKHXSA-N -1 0 343.354 3.740 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC000864132682 1137216730 /nfs/dbraw/zinc/21/67/30/1137216730.db2.gz VDBDGALETKGTNT-IRXDYDNUSA-N -1 0 335.419 3.861 20 0 EHADRM CC(C)(CC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000864134495 1137216771 /nfs/dbraw/zinc/21/67/71/1137216771.db2.gz CIPAYGNWTVMFMA-DNVCBOLYSA-N -1 0 335.419 3.643 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc3c(ccc4ccccc34)o2)CC[C@H]1C(=O)[O-] ZINC000864141126 1137216958 /nfs/dbraw/zinc/21/69/58/1137216958.db2.gz GWOJGSXQQBGFLE-TZMCWYRMSA-N -1 0 337.375 3.769 20 0 EHADRM Cc1ccc(SC2CCCC2)c(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)c1 ZINC000864166138 1137217639 /nfs/dbraw/zinc/21/76/39/1137217639.db2.gz KVDXXJSRLLONCL-AWEZNQCLSA-N -1 0 345.464 3.933 20 0 EHADRM CCc1cc(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)sc1-c1ccccc1 ZINC000864167663 1137217664 /nfs/dbraw/zinc/21/76/64/1137217664.db2.gz IYTYEFYVRYBACG-OAHLLOKOSA-N -1 0 341.432 3.881 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)CCc1ccc(-c2ccccc2)o1)C1CC1 ZINC000864197593 1137218581 /nfs/dbraw/zinc/21/85/81/1137218581.db2.gz HBRDDKCKEVAGIW-HXUWFJFHSA-N -1 0 341.407 3.639 20 0 EHADRM O=C([O-])C1(CC(=O)NCC2(c3cccc(Cl)c3)CCC2)CCC1 ZINC000864215549 1137219072 /nfs/dbraw/zinc/21/90/72/1137219072.db2.gz BILSCISVTQCXGM-UHFFFAOYSA-N -1 0 335.831 3.523 20 0 EHADRM Cc1nc(C2CCN(C(=O)CC3=CCCCC3)CC2)sc1C(=O)[O-] ZINC000864224257 1137219096 /nfs/dbraw/zinc/21/90/96/1137219096.db2.gz VGYGUYRAWRCOJZ-UHFFFAOYSA-N -1 0 348.468 3.746 20 0 EHADRM CC1(C)[C@H](c2ccccc2F)CCN1C(=O)c1cccc(C(=O)[O-])c1 ZINC000864217842 1137219224 /nfs/dbraw/zinc/21/92/24/1137219224.db2.gz QZTLRTWKCLKZPI-INIZCTEOSA-N -1 0 341.382 3.932 20 0 EHADRM COCCC1(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)CCC1 ZINC000864225661 1137219245 /nfs/dbraw/zinc/21/92/45/1137219245.db2.gz WTFKZWGNWCNOJC-UHFFFAOYSA-N -1 0 327.380 3.683 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)CSc2ccccc2C)c1 ZINC000864227935 1137219306 /nfs/dbraw/zinc/21/93/06/1137219306.db2.gz IYTHPQBGNPRLDQ-MRXNPFEDSA-N -1 0 343.448 3.728 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2CSc3ccccc32)c1 ZINC000864229929 1137219353 /nfs/dbraw/zinc/21/93/53/1137219353.db2.gz OUXVUUICIAJFJG-HZPDHXFCSA-N -1 0 341.432 3.517 20 0 EHADRM CO[C@@H](C)c1nc(Cc2nc(=O)c3c(C)sc(C)c3[n-]2)cs1 ZINC000864354559 1137223297 /nfs/dbraw/zinc/22/32/97/1137223297.db2.gz GVAHDKQNZAXFRY-ZETCQYMHSA-N -1 0 335.454 3.768 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NCc2nc(C(C)(C)C)cs2)c1 ZINC000864506154 1137230662 /nfs/dbraw/zinc/23/06/62/1137230662.db2.gz HQMLEHFGUJNKQC-AWEZNQCLSA-N -1 0 348.468 3.755 20 0 EHADRM Cc1ccc2ccnc(NC(=O)c3nn(-c4ccccc4)cc3[O-])c2c1 ZINC001144063990 1137233853 /nfs/dbraw/zinc/23/38/53/1137233853.db2.gz LKUJUQZWZBEDDX-UHFFFAOYSA-N -1 0 344.374 3.687 20 0 EHADRM C[C@H](Oc1ccccc1)C(=O)Nc1ccc2[n-]c(=S)sc2c1 ZINC001144500973 1137301290 /nfs/dbraw/zinc/30/12/90/1137301290.db2.gz IEOSSAHMWWZICR-JTQLQIEISA-N -1 0 330.434 3.991 20 0 EHADRM CC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)oc1ccccc12 ZINC000845824973 1137313263 /nfs/dbraw/zinc/31/32/63/1137313263.db2.gz DACRQEGBBFQMJG-UHFFFAOYSA-N -1 0 345.420 3.827 20 0 EHADRM C[C@@]1(c2cccc(F)c2)CCN(C(=O)c2cccc(Cl)c2[O-])C1 ZINC000846320506 1137346984 /nfs/dbraw/zinc/34/69/84/1137346984.db2.gz UXOWSLGILLUEHB-GOSISDBHSA-N -1 0 333.790 3.989 20 0 EHADRM Cc1cccc2c1CC[C@H]2NC(=O)c1cccc(Br)c1[O-] ZINC001144849353 1137354071 /nfs/dbraw/zinc/35/40/71/1137354071.db2.gz VISFOTYPWBZOBW-OAHLLOKOSA-N -1 0 346.224 3.880 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2cccc(C3SCCS3)c2)CC=CCC1 ZINC000846705978 1137362675 /nfs/dbraw/zinc/36/26/75/1137362675.db2.gz JAXKDDZXCMLCOS-KRWDZBQOSA-N -1 0 349.477 3.915 20 0 EHADRM CCCOc1ccc([N-]S(=O)(=O)c2cnc(C)s2)cc1Cl ZINC000339077915 1137388102 /nfs/dbraw/zinc/38/81/02/1137388102.db2.gz YLZACVXWGYKPNZ-UHFFFAOYSA-N -1 0 346.861 3.695 20 0 EHADRM Cc1cccc(C(C)(C)NC(=O)c2ncc(Br)cc2[O-])c1 ZINC001147210713 1137402228 /nfs/dbraw/zinc/40/22/28/1137402228.db2.gz IDMBFTKJDGNHSU-UHFFFAOYSA-N -1 0 349.228 3.523 20 0 EHADRM C[C@H]1N(C(=O)c2nn(-c3ccccc3)cc2[O-])c2ccccc2C1(C)C ZINC001147350058 1137405900 /nfs/dbraw/zinc/40/59/00/1137405900.db2.gz RAYZKAQWXYMXLL-CQSZACIVSA-N -1 0 347.418 3.904 20 0 EHADRM CC1(C)CN(C(=O)c2cc(Br)cc(F)c2[O-])[C@@H]1C1CC1 ZINC000868443003 1137409998 /nfs/dbraw/zinc/40/99/98/1137409998.db2.gz VNIBATIPPHXROM-CYBMUJFWSA-N -1 0 342.208 3.554 20 0 EHADRM O=C(Nc1ccc(Nc2ccccc2)cn1)c1s[n-]c(=O)c1Cl ZINC001148207755 1137419663 /nfs/dbraw/zinc/41/96/63/1137419663.db2.gz GKWXAPNWWDBVQA-UHFFFAOYSA-N -1 0 346.799 3.893 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CC(Cc2c(F)cccc2F)C1 ZINC001148466863 1137425462 /nfs/dbraw/zinc/42/54/62/1137425462.db2.gz CBNFZZPGOCBYKJ-UHFFFAOYSA-N -1 0 337.753 3.639 20 0 EHADRM C[C@@]1(CF)CC(F)(F)CN1C(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001148805466 1137435270 /nfs/dbraw/zinc/43/52/70/1137435270.db2.gz NIPAMWQUCVMZIC-LBPRGKRZSA-N -1 0 342.144 3.908 20 0 EHADRM O=C(Nc1cc(C(F)(F)F)no1)c1cc(Cl)cc(Cl)c1[O-] ZINC001148805065 1137435285 /nfs/dbraw/zinc/43/52/85/1137435285.db2.gz FBWVRQOEABXZDA-UHFFFAOYSA-N -1 0 341.072 3.958 20 0 EHADRM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC001148806185 1137435401 /nfs/dbraw/zinc/43/54/01/1137435401.db2.gz OJAGSDAUILVNSK-ZWNOBZJWSA-N -1 0 342.222 3.673 20 0 EHADRM CCCC[C@@H](CCC)NC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC001148996486 1137438762 /nfs/dbraw/zinc/43/87/62/1137438762.db2.gz GTJIYBXETKKZAX-CYBMUJFWSA-N -1 0 333.407 3.806 20 0 EHADRM O=C([O-])c1ccc(NCC2c3ccccc3CCc3ccccc32)nn1 ZINC001171342435 1137441367 /nfs/dbraw/zinc/44/13/67/1137441367.db2.gz GAWJRIVRNGZNEF-UHFFFAOYSA-N -1 0 345.402 3.517 20 0 EHADRM CC(C)(C)c1cnc(CCC(=O)Nc2ccc3[n-]c(=S)oc3c2)o1 ZINC000282728788 1137442419 /nfs/dbraw/zinc/44/24/19/1137442419.db2.gz XCVQPHCKZKMCKJ-UHFFFAOYSA-N -1 0 345.424 3.973 20 0 EHADRM CCc1oc(C(=O)Nc2ccc(CC(F)(F)F)cc2)cc1C(=O)[O-] ZINC000339094945 1137467768 /nfs/dbraw/zinc/46/77/68/1137467768.db2.gz MREIMYAKGSAITG-UHFFFAOYSA-N -1 0 341.285 3.897 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)N=c2[n-]nc(-c3ccccc3)s2)c(C)o1 ZINC000339104655 1137499308 /nfs/dbraw/zinc/49/93/08/1137499308.db2.gz DXEIMMNQZZSHFX-LLVKDONJSA-N -1 0 342.424 3.720 20 0 EHADRM Cc1ccc(-c2nc(CC(=O)[N-]OCCCC(F)(F)F)cs2)o1 ZINC000871211797 1137527590 /nfs/dbraw/zinc/52/75/90/1137527590.db2.gz AFYLRCYRTHLBGG-UHFFFAOYSA-N -1 0 348.346 3.644 20 0 EHADRM Cc1oc(-c2cccs2)nc1CC(=O)[N-]OCCCC(F)(F)F ZINC000871212605 1137527622 /nfs/dbraw/zinc/52/76/22/1137527622.db2.gz ZWWIAMBFBYSUKP-UHFFFAOYSA-N -1 0 348.346 3.644 20 0 EHADRM CCOC(=O)c1cnoc1[N-]c1c(F)cc(F)c(OC(C)C)c1F ZINC001212643090 1137539417 /nfs/dbraw/zinc/53/94/17/1137539417.db2.gz PHIMKBCSCWDOLS-UHFFFAOYSA-N -1 0 344.289 3.799 20 0 EHADRM O=S(=O)([O-])c1cccc(Nc2ccc(C3CCOCC3)cc2)c1 ZINC001212653167 1137549142 /nfs/dbraw/zinc/54/91/42/1137549142.db2.gz BIYPJOIRZQYQAF-UHFFFAOYSA-N -1 0 333.409 3.571 20 0 EHADRM CC(C)(C)c1ncc(CN[C@@H](CC(=O)[O-])c2ccccc2Cl)cn1 ZINC000871883844 1137562406 /nfs/dbraw/zinc/56/24/06/1137562406.db2.gz ZUUGWNUCRMWJEC-HNNXBMFYSA-N -1 0 347.846 3.733 20 0 EHADRM CC1(C)CCc2c([n-]n(-c3nc(-c4ccc(Cl)cc4)no3)c2=O)C1 ZINC000871950745 1137563526 /nfs/dbraw/zinc/56/35/26/1137563526.db2.gz GRFXFIQZLVECDX-GFCCVEGCSA-N -1 0 344.802 3.919 20 0 EHADRM C[C@@H](N[C@@H](CO)c1cccc(C(F)(F)F)c1)c1cccc(O)c1F ZINC000872093444 1137570828 /nfs/dbraw/zinc/57/08/28/1137570828.db2.gz VVXUKOPGWXXTML-YGRLFVJLSA-N -1 0 343.320 3.934 20 0 EHADRM C[C@H]1CN(Cc2cc(C(=O)[O-])cs2)C[C@H](c2ccc(F)cc2)O1 ZINC000872159697 1137574431 /nfs/dbraw/zinc/57/44/31/1137574431.db2.gz XXCOUGXOBWKNAR-MEDUHNTESA-N -1 0 335.400 3.547 20 0 EHADRM Cc1ccc(CN2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)cc1C(=O)[O-] ZINC000872159265 1137574453 /nfs/dbraw/zinc/57/44/53/1137574453.db2.gz RCLGJCLFZKAYMO-LIRRHRJNSA-N -1 0 343.398 3.794 20 0 EHADRM Cc1nc(-c2ccc(C)cc2)sc1C(=O)N(CCC(=O)[O-])C1CC1 ZINC000872711614 1137583093 /nfs/dbraw/zinc/58/30/93/1137583093.db2.gz KKQPSEWVGPOXAJ-UHFFFAOYSA-N -1 0 344.436 3.506 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)c1 ZINC000872740357 1137583652 /nfs/dbraw/zinc/58/36/52/1137583652.db2.gz WHFYUAHGZVFYNX-ULQDDVLXSA-N -1 0 345.439 3.579 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)C1(Cc3ccccc3Cl)CC1)CC2 ZINC000872766001 1137584058 /nfs/dbraw/zinc/58/40/58/1137584058.db2.gz MLJPLJHOXYVHGO-BEFAXECRSA-N -1 0 347.842 3.519 20 0 EHADRM CC[C@](C)(CC(=O)[O-])C(=O)N[C@@H](C)c1ccccc1C(F)(F)F ZINC000872838931 1137585307 /nfs/dbraw/zinc/58/53/07/1137585307.db2.gz JSVKTKMCAILBFM-ZUZCIYMTSA-N -1 0 331.334 3.774 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)Nc1ccc(-c2ccco2)cc1F ZINC000872863263 1137585731 /nfs/dbraw/zinc/58/57/31/1137585731.db2.gz QKWNGMRTGCWKGB-UHFFFAOYSA-N -1 0 337.372 3.621 20 0 EHADRM O=C([O-])[C@@]1(CC(=O)N2CCC[C@@H]2c2ccccc2)CCc2ccccc21 ZINC000872889667 1137586100 /nfs/dbraw/zinc/58/61/00/1137586100.db2.gz BREIWAZMOIQCSK-DENIHFKCSA-N -1 0 349.430 3.709 20 0 EHADRM C[C@@H](c1cccs1)N(C)C(=O)CC1(C(=O)[O-])Cc2ccccc2C1 ZINC000872899530 1137586331 /nfs/dbraw/zinc/58/63/31/1137586331.db2.gz INAMAKBTHOYMFP-ZDUSSCGKSA-N -1 0 343.448 3.527 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000872907985 1137586367 /nfs/dbraw/zinc/58/63/67/1137586367.db2.gz WGSKVTBGODMIRC-INIZCTEOSA-N -1 0 335.469 3.631 20 0 EHADRM CC[C@@H](C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1F)c1ccccc1 ZINC000873563320 1137602510 /nfs/dbraw/zinc/60/25/10/1137602510.db2.gz FFBJGYBIOREEKZ-UKRRQHHQSA-N -1 0 349.427 3.527 20 0 EHADRM CC[C@@H](C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1F)c1ccccc1 ZINC000873563318 1137602511 /nfs/dbraw/zinc/60/25/11/1137602511.db2.gz FFBJGYBIOREEKZ-DZGCQCFKSA-N -1 0 349.427 3.527 20 0 EHADRM CN(C(=O)NCc1ccccc1C(=O)[O-])[C@H]1CCCc2ccccc21 ZINC000874409714 1137613802 /nfs/dbraw/zinc/61/38/02/1137613802.db2.gz WWZQLOQSGHINFX-SFHVURJKSA-N -1 0 338.407 3.604 20 0 EHADRM CCC(CC)(CNC(=O)NCc1ccccc1C(=O)[O-])C(F)(F)F ZINC000874412208 1137613857 /nfs/dbraw/zinc/61/38/57/1137613857.db2.gz WLRDTPBQHUJMEA-UHFFFAOYSA-N -1 0 346.349 3.553 20 0 EHADRM Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000126297425 1137668046 /nfs/dbraw/zinc/66/80/46/1137668046.db2.gz ALADORYCPHJKJH-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC000888821263 1137781574 /nfs/dbraw/zinc/78/15/74/1137781574.db2.gz XITJLPWXDWXIRE-UGSOOPFHSA-N -1 0 328.799 3.592 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ncsc2C2CC2)sc1Cl ZINC000882772228 1137833882 /nfs/dbraw/zinc/83/38/82/1137833882.db2.gz MWXLZVVGKYFCLH-UHFFFAOYSA-N -1 0 334.875 3.845 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000131899526 1137861368 /nfs/dbraw/zinc/86/13/68/1137861368.db2.gz YDRWVNGAJDQZPX-UHFFFAOYSA-N -1 0 330.413 3.926 20 0 EHADRM CCCc1cnc([N-]S(=O)(=O)/C=C/c2ccccc2F)s1 ZINC000800041027 1137895387 /nfs/dbraw/zinc/89/53/87/1137895387.db2.gz FHIAJUQOJYIHEX-CMDGGOBGSA-N -1 0 326.418 3.647 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2C[C@@H](C)C[C@@H]2c2ccccc2F)s1 ZINC000331469967 1137909632 /nfs/dbraw/zinc/90/96/32/1137909632.db2.gz CNTFXLSQQXEZNT-SMDDNHRTSA-N -1 0 348.447 3.667 20 0 EHADRM C[C@@H]1CCN(C(=O)N=c2nc(C(C)(C)C)[n-]s2)[C@H](c2ccco2)C1 ZINC000331588547 1137913407 /nfs/dbraw/zinc/91/34/07/1137913407.db2.gz KNVZEIMFNVPGTN-NEPJUHHUSA-N -1 0 348.472 3.856 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@@H](CC)c2ccc(Cl)cc2)s1 ZINC000348296614 1137914843 /nfs/dbraw/zinc/91/48/43/1137914843.db2.gz RVCQCKISLTVGGD-LBPRGKRZSA-N -1 0 338.864 3.839 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2[C@@H](C)CC[C@@H]2CC)n1 ZINC000332159669 1137934044 /nfs/dbraw/zinc/93/40/44/1137934044.db2.gz VAJCKEQROPDMEG-ZFWWWQNUSA-N -1 0 327.428 3.543 20 0 EHADRM CCCc1nc(=NC(=O)N2CCc3sccc3[C@H]2CC)s[n-]1 ZINC000332221409 1137936332 /nfs/dbraw/zinc/93/63/32/1137936332.db2.gz JENXVHQBTODKRV-LLVKDONJSA-N -1 0 336.486 3.515 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccnn2[C@H](C)C2CC2)c1 ZINC000120448825 1137949902 /nfs/dbraw/zinc/94/99/02/1137949902.db2.gz UKCPJLIVPNAGPF-LLVKDONJSA-N -1 0 339.848 3.617 20 0 EHADRM O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1s[n-]c(=O)c1Cl ZINC001137209164 1137958764 /nfs/dbraw/zinc/95/87/64/1137958764.db2.gz VWAMRENCHORFHP-BQBZGAKWSA-N -1 0 342.770 3.601 20 0 EHADRM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)N=c2ccc(C3CC3)n[n-]2)C1 ZINC000333237636 1137959119 /nfs/dbraw/zinc/95/91/19/1137959119.db2.gz VWEJBEYVJGFGJS-YVEFUNNKSA-N -1 0 340.402 3.530 20 0 EHADRM C[C@@]1(Cc2cccs2)CCCN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000885257005 1137993623 /nfs/dbraw/zinc/99/36/23/1137993623.db2.gz PFNWJCKMTCEVBV-KRWDZBQOSA-N -1 0 337.391 3.969 20 0 EHADRM Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1c(C)cc(Cl)cc1C ZINC000886399380 1138073292 /nfs/dbraw/zinc/07/32/92/1138073292.db2.gz SQKPJODAJWJHRN-UHFFFAOYSA-N -1 0 349.790 3.727 20 0 EHADRM Cc1cnc(C(C)(C)NC(=O)c2ccc3[n-]c(=S)oc3c2)s1 ZINC000079974609 1138159662 /nfs/dbraw/zinc/15/96/62/1138159662.db2.gz ZNNFMLATWLYLJZ-UHFFFAOYSA-N -1 0 333.438 3.920 20 0 EHADRM CSc1nc(=O)[nH]c(C)c1C(=O)NCCCCCCC(C)C ZINC000081544824 1138169708 /nfs/dbraw/zinc/16/97/08/1138169708.db2.gz WYNJUHQGIZXDOK-UHFFFAOYSA-N -1 0 325.478 3.549 20 0 EHADRM C[C@@H](S[C@H](C)C(=O)Nc1ccc2c(c1)C=CC1(CCC1)O2)C(=O)[O-] ZINC000887324060 1138266120 /nfs/dbraw/zinc/26/61/20/1138266120.db2.gz PXHZSVWSDVGLKL-VXGBXAGGSA-N -1 0 347.436 3.548 20 0 EHADRM O=C([O-])[C@H]1CCCCN1C(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1 ZINC000887382436 1138294123 /nfs/dbraw/zinc/29/41/23/1138294123.db2.gz IARSZTIUTPZQJI-NEPJUHHUSA-N -1 0 348.296 3.731 20 0 EHADRM COc1ccc2c(c1Nc1cc(F)c(C(=O)[O-])c(F)c1)C(=O)CC2 ZINC001203330008 1138316724 /nfs/dbraw/zinc/31/67/24/1138316724.db2.gz NOWGCBGACHQUAI-UHFFFAOYSA-N -1 0 333.290 3.544 20 0 EHADRM C[C@@H]1c2cccn2CCN1Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000263875370 1138384354 /nfs/dbraw/zinc/38/43/54/1138384354.db2.gz IPWWDPWKMSDIDF-LLVKDONJSA-N -1 0 344.798 3.530 20 0 EHADRM O=S(=O)([N-]c1cncc(F)c1)c1csc2ccc(Cl)cc21 ZINC000337286416 1138520210 /nfs/dbraw/zinc/52/02/10/1138520210.db2.gz MDZWWUPVZPVEQG-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM CN(C(=O)c1ccc(/C=C/C(=O)[O-])o1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000826577909 1138596136 /nfs/dbraw/zinc/59/61/36/1138596136.db2.gz NVRXHKVKMYKKTC-GVDBZTIHSA-N -1 0 345.317 3.571 20 0 EHADRM O=C([O-])CC1(CC(=O)NC[C@@H]2CCCC(F)(F)C2)CCCCC1 ZINC000337679031 1138641534 /nfs/dbraw/zinc/64/15/34/1138641534.db2.gz ZWYXDFZUECRNNZ-CYBMUJFWSA-N -1 0 331.403 3.743 20 0 EHADRM Cc1ccncc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C ZINC000337774623 1138664787 /nfs/dbraw/zinc/66/47/87/1138664787.db2.gz PMVFBDCGLXVQTN-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM CSc1cccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)c1 ZINC000337867518 1138685842 /nfs/dbraw/zinc/68/58/42/1138685842.db2.gz OUJVOTFUQSHCGR-UHFFFAOYSA-N -1 0 348.371 3.623 20 0 EHADRM CO[C@H](C)c1nc(=N[C@H](C)c2nc(-c3ccccc3)cs2)s[n-]1 ZINC000337911209 1138696815 /nfs/dbraw/zinc/69/68/15/1138696815.db2.gz IZXNOUAZPBZWHZ-GHMZBOCLSA-N -1 0 346.481 3.964 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)N3CC[C@H]3C3CCCC3)c([O-])c2)o1 ZINC000889416226 1139205076 /nfs/dbraw/zinc/20/50/76/1139205076.db2.gz REISKMAWGBDMRG-KRWDZBQOSA-N -1 0 339.391 3.869 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000176230265 1139546873 /nfs/dbraw/zinc/54/68/73/1139546873.db2.gz WGSUKYGVIZGEMX-GXTWGEPZSA-N -1 0 334.466 3.617 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)C[C@@H](C)CC(C)(C)C)c1Cl ZINC000777350228 1139805732 /nfs/dbraw/zinc/80/57/32/1139805732.db2.gz NPBYHQYBCIVFCU-LLVKDONJSA-N -1 0 345.892 3.916 20 0 EHADRM CCC(CC)c1cc(CNC(=O)c2cc(F)c(F)c([O-])c2F)on1 ZINC000180070371 1139806664 /nfs/dbraw/zinc/80/66/64/1139806664.db2.gz DTKFLHQHVLTBLQ-UHFFFAOYSA-N -1 0 342.317 3.631 20 0 EHADRM CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1cccc(C)c1Cl ZINC000777354435 1139815237 /nfs/dbraw/zinc/81/52/37/1139815237.db2.gz NHMVQGYNYHMRRZ-LBPRGKRZSA-N -1 0 331.865 3.670 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)c(C)o1 ZINC000182787710 1139992930 /nfs/dbraw/zinc/99/29/30/1139992930.db2.gz PZZOOTDQNNLKBD-UHFFFAOYSA-N -1 0 335.425 3.624 20 0 EHADRM COc1ccccc1C[C@@H]1CCCN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000183510918 1140043636 /nfs/dbraw/zinc/04/36/36/1140043636.db2.gz QEEUIFHBZTUBFP-AWEZNQCLSA-N -1 0 347.361 3.526 20 0 EHADRM CCC(=O)[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000185828635 1140172151 /nfs/dbraw/zinc/17/21/51/1140172151.db2.gz CAFRCIFWRZBDTI-NSHDSACASA-N -1 0 330.211 3.673 20 0 EHADRM CCN(C(=O)c1cc(F)c([O-])c(F)c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000186795633 1140222162 /nfs/dbraw/zinc/22/21/62/1140222162.db2.gz WIXAGOOPDIYRMC-LBPRGKRZSA-N -1 0 349.377 3.772 20 0 EHADRM Cc1occc1S([O-])=CC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000189642509 1140357736 /nfs/dbraw/zinc/35/77/36/1140357736.db2.gz RFVTWHNUPUDMTJ-NYHFZMIOSA-N -1 0 339.482 3.661 20 0 EHADRM C[C@@H](C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1)c1cccc(F)c1 ZINC000191541320 1140471410 /nfs/dbraw/zinc/47/14/10/1140471410.db2.gz CGNIUAQKBJYWTB-RDTXWAMCSA-N -1 0 343.398 3.522 20 0 EHADRM CC(C)(C)OC(=O)CCC(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000192441685 1140531694 /nfs/dbraw/zinc/53/16/94/1140531694.db2.gz XQJCSSHZXJAZJS-UHFFFAOYSA-N -1 0 334.199 3.759 20 0 EHADRM CC[C@H](NC(=O)C1CCC(C(=O)[O-])CC1)C(C)(C)c1ccccc1 ZINC000194422243 1140608860 /nfs/dbraw/zinc/60/88/60/1140608860.db2.gz KAONGDOFXOEFGR-DQPZFDDXSA-N -1 0 331.456 3.750 20 0 EHADRM CSc1cc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c(Cl)cc1Cl ZINC000194458489 1140610654 /nfs/dbraw/zinc/61/06/54/1140610654.db2.gz JBFCVHNTNMKPJF-JGVFFNPUSA-N -1 0 348.251 3.698 20 0 EHADRM CC[C@@H](NC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1)c1ccncc1 ZINC000266496663 1140694776 /nfs/dbraw/zinc/69/47/76/1140694776.db2.gz WKMFTAIRUIDEEX-VQIMIIECSA-N -1 0 332.444 3.710 20 0 EHADRM Cc1csc(C2(NC(=O)c3ccc4[n-]c(=S)oc4c3)CCC2)n1 ZINC000266845286 1140729142 /nfs/dbraw/zinc/72/91/42/1140729142.db2.gz PGPPNNFTYLDMSE-UHFFFAOYSA-N -1 0 345.449 3.691 20 0 EHADRM COCCN(C(=O)c1cc(F)c([O-])c(F)c1)[C@H](C)c1ccccc1 ZINC000273929251 1141447553 /nfs/dbraw/zinc/44/75/53/1141447553.db2.gz HKZAUWVAFJTFEE-GFCCVEGCSA-N -1 0 335.350 3.520 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000339167026 1141515698 /nfs/dbraw/zinc/51/56/98/1141515698.db2.gz BMJPFYWJEFNJKP-VLIAUNLRSA-N -1 0 341.407 3.765 20 0 EHADRM Cc1[nH]c2ccc(CNC(=O)c3cc(F)c(F)c([O-])c3F)cc2c1C ZINC000348578143 1141554037 /nfs/dbraw/zinc/55/40/37/1141554037.db2.gz SKAUTRQMARQXII-UHFFFAOYSA-N -1 0 348.324 3.838 20 0 EHADRM CCn1cc(S(=O)(=O)[N-]c2cc(C(F)F)ccc2Cl)nc1C ZINC000348864258 1141598964 /nfs/dbraw/zinc/59/89/64/1141598964.db2.gz CFDMBBMRHBFORY-UHFFFAOYSA-N -1 0 349.790 3.603 20 0 EHADRM Cc1nc(C=Cc2cc(Cl)cc(Cl)c2)[nH]c(=O)c1CC(=O)[O-] ZINC000349106960 1141639920 /nfs/dbraw/zinc/63/99/20/1141639920.db2.gz ISGIPCRDNAGRCC-NSCUHMNNSA-N -1 0 339.178 3.595 20 0 EHADRM Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1c([O-])cc(F)cc1F ZINC000066043218 215004189 /nfs/dbraw/zinc/00/41/89/215004189.db2.gz RUFHADWMONZIFY-UHFFFAOYSA-N -1 0 343.333 3.725 20 0 EHADRM Cc1cc(C(=O)[O-])c(NC(=O)c2sccc2Br)s1 ZINC000104288073 219370697 /nfs/dbraw/zinc/37/06/97/219370697.db2.gz AGDWGJCQLLGAJV-UHFFFAOYSA-N -1 0 346.227 3.831 20 0 EHADRM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000013797381 211640164 /nfs/dbraw/zinc/64/01/64/211640164.db2.gz HWLNAJHPYNDARJ-HXUWFJFHSA-N -1 0 345.398 3.779 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NCC(C)(C)Cc2ccccc2)c1 ZINC001600109096 970763112 /nfs/dbraw/zinc/76/31/12/970763112.db2.gz IMWKNSWTCFKPJJ-UHFFFAOYSA-N -1 0 325.408 3.692 20 0 EHADRM Cc1ccc(C(C)(C)C)cc1S([O-])=CC(=O)N1CCCC[C@H]1C ZINC000107959016 526243265 /nfs/dbraw/zinc/24/32/65/526243265.db2.gz XUGFLUYZOZYYSA-IQMFZBJNSA-N -1 0 335.513 3.801 20 0 EHADRM O=C([O-])CC1(CC(=O)NCc2cccc3cccnc32)CCCCC1 ZINC000299290392 527568719 /nfs/dbraw/zinc/56/87/19/527568719.db2.gz DVCAGCINFZABQJ-UHFFFAOYSA-N -1 0 340.423 3.666 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)Nc2ncc(-c3ccccc3)s2)C1 ZINC000819365107 597049709 /nfs/dbraw/zinc/04/97/09/597049709.db2.gz RMFGSKFOLJESDK-LBPRGKRZSA-N -1 0 345.424 3.529 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)Nc2ccc(CC(F)(F)F)cc2)C1 ZINC000819365185 597120934 /nfs/dbraw/zinc/12/09/34/597120934.db2.gz XLLDYAITFSJSJZ-LBPRGKRZSA-N -1 0 344.333 3.510 20 0 EHADRM O=C([O-])c1ccc(CNC2(c3ccc(Br)cc3)CC2)o1 ZINC000740130818 599874764 /nfs/dbraw/zinc/87/47/64/599874764.db2.gz PGWCRXVLEJQWGL-UHFFFAOYSA-N -1 0 336.185 3.519 20 0 EHADRM COc1cc(CNc2cccc(CC(=O)[O-])c2)cc(Cl)c1OC ZINC000818561540 597137470 /nfs/dbraw/zinc/13/74/70/597137470.db2.gz QHPJTTHFXVTZQZ-UHFFFAOYSA-N -1 0 335.787 3.596 20 0 EHADRM Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)N[C@@H](C)C(=O)[O-] ZINC000818849355 597177063 /nfs/dbraw/zinc/17/70/63/597177063.db2.gz ZBMPODPIKXVIEC-KBPBESRZSA-N -1 0 342.395 3.730 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N2CCC(c3ccccc3)CC2)c1 ZINC000738624829 597183336 /nfs/dbraw/zinc/18/33/36/597183336.db2.gz UIACURZVIYUPEB-UHFFFAOYSA-N -1 0 338.407 3.725 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000738308769 597192815 /nfs/dbraw/zinc/19/28/15/597192815.db2.gz OAQPLWOISGFFBF-SFHVURJKSA-N -1 0 338.407 3.991 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000738623921 597203772 /nfs/dbraw/zinc/20/37/72/597203772.db2.gz KFOFKNAZWQJXAG-KRWDZBQOSA-N -1 0 342.370 3.822 20 0 EHADRM C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)NCCC(=O)[O-] ZINC000414606883 597223108 /nfs/dbraw/zinc/22/31/08/597223108.db2.gz FSDASZQJJUURJP-AWEZNQCLSA-N -1 0 326.396 3.531 20 0 EHADRM O=C([O-])CCCNC(=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC000237991419 597277830 /nfs/dbraw/zinc/27/78/30/597277830.db2.gz AHWWYYIWLAUVBH-UHFFFAOYSA-N -1 0 346.433 3.619 20 0 EHADRM CCCN(C(=O)NCCCC(=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000263439947 597304701 /nfs/dbraw/zinc/30/47/01/597304701.db2.gz DIHLXUYPMMNASO-CYBMUJFWSA-N -1 0 332.400 3.780 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1ccc(Cl)c2cccnc12 ZINC000819623518 597319039 /nfs/dbraw/zinc/31/90/39/597319039.db2.gz JAZFOOATDOVIQS-UHFFFAOYSA-N -1 0 340.766 3.768 20 0 EHADRM Cc1cccc(C(C)(C)CNC(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000818939254 597321760 /nfs/dbraw/zinc/32/17/60/597321760.db2.gz GWCLVTXCCRQFKZ-UHFFFAOYSA-N -1 0 340.423 3.721 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)NCc1ccc2ccccc2c1 ZINC000819618099 597332280 /nfs/dbraw/zinc/33/22/80/597332280.db2.gz LUBIHCMXTBQYQK-UHFFFAOYSA-N -1 0 334.375 3.789 20 0 EHADRM C[C@@H]1c2c(F)cccc2CCN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818120841 597335230 /nfs/dbraw/zinc/33/52/30/597335230.db2.gz UTKRDUQHHKTKHQ-GFCCVEGCSA-N -1 0 342.370 3.604 20 0 EHADRM Cc1cccc(C(=O)Nc2cccc(CC(=O)[O-])c2)c1Br ZINC000235914082 597411299 /nfs/dbraw/zinc/41/12/99/597411299.db2.gz BLRZLGRKZABFPS-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM C[C@H](C(=O)[O-])N(C)C(=S)Nc1ccc(Oc2ccccc2)cc1 ZINC000817768556 597479139 /nfs/dbraw/zinc/47/91/39/597479139.db2.gz COAFSJIUMGDURV-GFCCVEGCSA-N -1 0 330.409 3.581 20 0 EHADRM Cc1ccc(Cl)c(NC(=S)N(CC(=O)[O-])C(C)C)c1Cl ZINC000821079051 598059255 /nfs/dbraw/zinc/05/92/55/598059255.db2.gz IIWQYZQSRRUPCB-UHFFFAOYSA-N -1 0 335.256 3.794 20 0 EHADRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000621706156 598150354 /nfs/dbraw/zinc/15/03/54/598150354.db2.gz KTKWJPCZTPQTEP-UHFFFAOYSA-N -1 0 334.803 3.503 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2c(-c3ccccc3)ncn2C2CC2)cc1 ZINC000821544748 598155408 /nfs/dbraw/zinc/15/54/08/598155408.db2.gz YLBVDEGELXMVND-UHFFFAOYSA-N -1 0 347.374 3.836 20 0 EHADRM CCCC[C@@H](Sc1nc(C2CC2)nn1-c1ccccc1)C(=O)[O-] ZINC000736986086 599710944 /nfs/dbraw/zinc/71/09/44/599710944.db2.gz SSFZWTBTNHBXBZ-CQSZACIVSA-N -1 0 331.441 3.880 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)NCc2ccc(Cl)s2)ccc1F ZINC000740008564 599713922 /nfs/dbraw/zinc/71/39/22/599713922.db2.gz QUAJGZZSBAIXFN-UHFFFAOYSA-N -1 0 343.767 3.952 20 0 EHADRM O=C([O-])c1cnc(NC(=O)[C@H]2C[C@H]2c2cccc3ccccc32)s1 ZINC000740258563 599714792 /nfs/dbraw/zinc/71/47/92/599714792.db2.gz FHGKJQXSBCLMLF-KBPBESRZSA-N -1 0 338.388 3.737 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(F)c(NC(=O)[O-])c1)c1ccccc1 ZINC000736599656 599716204 /nfs/dbraw/zinc/71/62/04/599716204.db2.gz YHFQSQXBCFMVKW-NSHDSACASA-N -1 0 331.347 3.841 20 0 EHADRM COc1ccc([C@H](C)C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000676003690 599717092 /nfs/dbraw/zinc/71/70/92/599717092.db2.gz UATHLFDIURSFKC-JTQLQIEISA-N -1 0 333.771 3.789 20 0 EHADRM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)CCCNC(=O)[O-] ZINC000736717664 599718074 /nfs/dbraw/zinc/71/80/74/599718074.db2.gz PBWSXERWOMLUPC-SECBINFHSA-N -1 0 333.215 3.561 20 0 EHADRM Cc1ccc2c(CC(=O)Nc3cccc(C(=O)[O-])c3O)coc2c1C ZINC000738668050 599720859 /nfs/dbraw/zinc/72/08/59/599720859.db2.gz WXZSUGCLXPPDPH-UHFFFAOYSA-N -1 0 339.347 3.635 20 0 EHADRM O=C([O-])c1cccc(NC(=O)CCCOc2ccccc2Cl)c1O ZINC000739235831 599721988 /nfs/dbraw/zinc/72/19/88/599721988.db2.gz KFTICWRMRYZGFC-UHFFFAOYSA-N -1 0 349.770 3.542 20 0 EHADRM O=C([O-])NCCC(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 ZINC000739948273 599728670 /nfs/dbraw/zinc/72/86/70/599728670.db2.gz SOPCRUMLBKLZTJ-UHFFFAOYSA-N -1 0 334.759 3.729 20 0 EHADRM CC(C)C[C@H](C)CC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000736402013 599733066 /nfs/dbraw/zinc/73/30/66/599733066.db2.gz NHIDNSXEVOPTOC-ZDUSSCGKSA-N -1 0 325.836 3.826 20 0 EHADRM O=C([O-])C1CCC(NC(=O)[C@H]2C[C@H]2c2cccc3ccccc32)CC1 ZINC000238074764 599733300 /nfs/dbraw/zinc/73/33/00/599733300.db2.gz XBSRDGHQMHXXCG-BURPLHJFSA-N -1 0 337.419 3.703 20 0 EHADRM COc1ccc([C@@H](C)C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000139467537 599733327 /nfs/dbraw/zinc/73/33/27/599733327.db2.gz FBXYBHAYRYOYBP-KDOFPFPSSA-N -1 0 341.407 3.521 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NCc1ccc(F)c(Cl)c1 ZINC000320596324 599735922 /nfs/dbraw/zinc/73/59/22/599735922.db2.gz CRBTTYNXFMWLLM-UHFFFAOYSA-N -1 0 336.750 3.807 20 0 EHADRM CN(CCCC(=O)N(CCc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000737419391 599741519 /nfs/dbraw/zinc/74/15/19/599741519.db2.gz XESSQQVUAVUCKG-UHFFFAOYSA-N -1 0 340.423 3.652 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3)C(=O)[O-] ZINC000737238496 599743958 /nfs/dbraw/zinc/74/39/58/599743958.db2.gz KFZYDKSBPKOZNF-SGTLLEGYSA-N -1 0 342.439 3.666 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)s1 ZINC000739337825 599744974 /nfs/dbraw/zinc/74/49/74/599744974.db2.gz GDXXCPMDPKFSGP-UHFFFAOYSA-N -1 0 334.784 3.762 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1Cn1c(=S)snc1-c1ccccc1 ZINC000739640238 599768282 /nfs/dbraw/zinc/76/82/82/599768282.db2.gz XBPXROMPAQQNOG-ZDUSSCGKSA-N -1 0 349.481 3.628 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000178258875 599771343 /nfs/dbraw/zinc/77/13/43/599771343.db2.gz ZIZDHINDXUHMNB-ZDUSSCGKSA-N -1 0 329.371 3.660 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)C(F)(F)c2ccc(F)cc2)cc1 ZINC000738596353 599771861 /nfs/dbraw/zinc/77/18/61/599771861.db2.gz DCCSGDPYJICOJU-UHFFFAOYSA-N -1 0 337.297 3.573 20 0 EHADRM CCCC[C@@H]1CCC[C@@H]1NC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000736986681 599781797 /nfs/dbraw/zinc/78/17/97/599781797.db2.gz YQLIJPVNBRFCJG-CJNGLKHVSA-N -1 0 336.432 3.787 20 0 EHADRM COc1ccccc1[C@H]1CCCN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000738129466 599782326 /nfs/dbraw/zinc/78/23/26/599782326.db2.gz PZSQZYNTFSENOK-MRXNPFEDSA-N -1 0 340.379 3.762 20 0 EHADRM COc1cc(Cl)ccc1CNC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000737889962 599794268 /nfs/dbraw/zinc/79/42/68/599794268.db2.gz XGJZQACFXXIFAR-UHFFFAOYSA-N -1 0 349.774 3.760 20 0 EHADRM O=C([O-])c1cc(F)ccc1CN1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000740080190 599796048 /nfs/dbraw/zinc/79/60/48/599796048.db2.gz YNQJYRZPXQOKBU-UHFFFAOYSA-N -1 0 342.345 3.703 20 0 EHADRM Cc1ccc(C)c(CC(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])c1 ZINC000485755058 599797366 /nfs/dbraw/zinc/79/73/66/599797366.db2.gz ULPUNRAIUAHYPM-QGZVFWFLSA-N -1 0 339.435 3.595 20 0 EHADRM C[C@@H](OC(=O)CCSCC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000738217197 599800142 /nfs/dbraw/zinc/80/01/42/599800142.db2.gz JIJJVGZJHSCBEU-MRVPVSSYSA-N -1 0 337.224 3.806 20 0 EHADRM O=C([O-])c1ccc2c(=O)[nH]c(C=Cc3ccc(Cl)s3)nc2c1 ZINC000740190752 599801475 /nfs/dbraw/zinc/80/14/75/599801475.db2.gz QSPKNBKOXVKTCJ-UTCJRWHESA-N -1 0 332.768 3.919 20 0 EHADRM O=C([O-])c1coc(CSc2nnc(C3CC3)n2-c2ccccc2)c1 ZINC000740270104 599803285 /nfs/dbraw/zinc/80/32/85/599803285.db2.gz WTTDERHKZMHVTC-UHFFFAOYSA-N -1 0 341.392 3.728 20 0 EHADRM COc1ccc(NC(=S)Nc2cccc(NC(=O)[O-])c2)cc1F ZINC000738040403 599806597 /nfs/dbraw/zinc/80/65/97/599806597.db2.gz UPLQBPPFSFCSSF-UHFFFAOYSA-N -1 0 335.360 3.733 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1)C(=O)[O-] ZINC000237013686 599816425 /nfs/dbraw/zinc/81/64/25/599816425.db2.gz NMLZYIFKYVNJKE-VBHSOAQHSA-N -1 0 343.423 3.567 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)c1ccc(SC(F)(F)F)cc1)C(=O)[O-] ZINC000236961746 599816457 /nfs/dbraw/zinc/81/64/57/599816457.db2.gz SDQQYBVTBFZKBK-GZMMTYOYSA-N -1 0 335.347 3.528 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)N2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000740140646 599817568 /nfs/dbraw/zinc/81/75/68/599817568.db2.gz MCFRLHBNBIOOEB-CYBMUJFWSA-N -1 0 346.333 3.684 20 0 EHADRM CCC[C@H](NC(=O)Nc1cccc(C(=O)[O-])c1C)c1ccccn1 ZINC000736974916 599818118 /nfs/dbraw/zinc/81/81/18/599818118.db2.gz XRJZYLAHJFPQOX-INIZCTEOSA-N -1 0 327.384 3.751 20 0 EHADRM Cc1cc(C(=O)NC[C@H](C)C(=O)[O-])sc1-c1cccc(Cl)c1 ZINC000263193024 599818606 /nfs/dbraw/zinc/81/86/06/599818606.db2.gz TWMFXZZYVRFIIN-JTQLQIEISA-N -1 0 337.828 3.827 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)NC2(c3ccc(F)cc3)CC2)cc1 ZINC000737333532 599820272 /nfs/dbraw/zinc/82/02/72/599820272.db2.gz WAHZGHLFOUDBHF-UHFFFAOYSA-N -1 0 343.358 3.751 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c(Cl)c1 ZINC000737932039 599824390 /nfs/dbraw/zinc/82/43/90/599824390.db2.gz QEHNICHUXGOXGE-UHFFFAOYSA-N -1 0 338.722 3.830 20 0 EHADRM CCCCCCOc1ccc(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000736984372 599825361 /nfs/dbraw/zinc/82/53/61/599825361.db2.gz YOCMSJNYDRCOQA-MRXNPFEDSA-N -1 0 348.443 3.518 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000326964527 599826920 /nfs/dbraw/zinc/82/69/20/599826920.db2.gz NVDVZOGJPGTHCA-SFHVURJKSA-N -1 0 338.407 3.903 20 0 EHADRM COc1ccc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)c(Cl)c1 ZINC000737923594 599829837 /nfs/dbraw/zinc/82/98/37/599829837.db2.gz YNTCVTOEGGWOGF-INIZCTEOSA-N -1 0 347.798 3.685 20 0 EHADRM CC(C)(C)CCCC(=O)N(CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000431972583 599832337 /nfs/dbraw/zinc/83/23/37/599832337.db2.gz KKAFPEKCUDLXNH-UHFFFAOYSA-N -1 0 327.371 3.594 20 0 EHADRM Cc1cccc2c1CC[C@H]2NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000738746991 599834860 /nfs/dbraw/zinc/83/48/60/599834860.db2.gz BYSPLUOVKITXIQ-GOSISDBHSA-N -1 0 338.407 3.522 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N(Cc2ccco2)C2CCCC2)cc1 ZINC000738682692 599837102 /nfs/dbraw/zinc/83/71/02/599837102.db2.gz BZDKTOCEBLTMGS-UHFFFAOYSA-N -1 0 328.368 3.955 20 0 EHADRM O=C([O-])CC1CCN(c2ccnc3c(Br)cccc23)CC1 ZINC000739641797 599842230 /nfs/dbraw/zinc/84/22/30/599842230.db2.gz MWOZPLYFTBIVFJ-UHFFFAOYSA-N -1 0 349.228 3.688 20 0 EHADRM C[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000319629302 599843677 /nfs/dbraw/zinc/84/36/77/599843677.db2.gz PFOUDQDHYUBWGR-VIFPVBQESA-N -1 0 337.734 3.583 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000736707126 599843823 /nfs/dbraw/zinc/84/38/23/599843823.db2.gz DQGJYSPEVJQNDS-NSHDSACASA-N -1 0 333.384 3.784 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)NCC1CCC(c2ccccc2)CC1 ZINC000736423451 599852819 /nfs/dbraw/zinc/85/28/19/599852819.db2.gz UMUVSUSIAUQDRO-VMWRSERWSA-N -1 0 346.471 3.759 20 0 EHADRM Cc1ccc(-c2noc(CNc3ccc(CCC(=O)[O-])cc3)n2)cc1 ZINC000738493659 599857687 /nfs/dbraw/zinc/85/76/87/599857687.db2.gz AGAQHXKUCYDIJQ-UHFFFAOYSA-N -1 0 337.379 3.674 20 0 EHADRM Cc1ccc(C)c2sc(NC(=O)c3ccc(C(=O)[O-])s3)nc21 ZINC000738579256 599863119 /nfs/dbraw/zinc/86/31/19/599863119.db2.gz QODZVANBKCIQKP-UHFFFAOYSA-N -1 0 332.406 3.925 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)OCC(=O)c1cccc2ccccc21 ZINC000740055706 599869490 /nfs/dbraw/zinc/86/94/90/599869490.db2.gz GOWFIZRJYNGDTD-UHFFFAOYSA-N -1 0 349.342 3.969 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)COC1CCCCC1 ZINC000739322825 599870683 /nfs/dbraw/zinc/87/06/83/599870683.db2.gz VMXZEUSHJKIEJO-UHFFFAOYSA-N -1 0 347.436 3.565 20 0 EHADRM Cc1ccc(C(=O)NCc2c3ccccc3sc2C(=O)[O-])s1 ZINC000676018232 599871999 /nfs/dbraw/zinc/87/19/99/599871999.db2.gz CVBYOVCMSJOQHA-UHFFFAOYSA-N -1 0 331.418 3.899 20 0 EHADRM Cc1ccccc1C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000676018572 599873162 /nfs/dbraw/zinc/87/31/62/599873162.db2.gz MBEGIZJHRMHJOL-UHFFFAOYSA-N -1 0 325.389 3.838 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)OCc1csc(-c2ccoc2)n1 ZINC000740054348 599876949 /nfs/dbraw/zinc/87/69/49/599876949.db2.gz RJNQDUWWQDQPHF-UHFFFAOYSA-N -1 0 344.348 3.850 20 0 EHADRM O=C([O-])c1coc(COC(=O)CCSc2ccc(Cl)cc2)c1 ZINC000739251077 599877793 /nfs/dbraw/zinc/87/77/93/599877793.db2.gz GQIHRVOTZFQVJT-UHFFFAOYSA-N -1 0 340.784 3.857 20 0 EHADRM O=C([O-])c1coc(COC(=O)C2(c3ccccc3F)CCCC2)c1 ZINC000740268980 599878753 /nfs/dbraw/zinc/87/87/53/599878753.db2.gz YFTXAMJYOJDEBA-UHFFFAOYSA-N -1 0 332.327 3.672 20 0 EHADRM COc1ccc2c(c1)CCC[C@H]2CC(=O)OCc1cc(C(=O)[O-])co1 ZINC000738074384 599884811 /nfs/dbraw/zinc/88/48/11/599884811.db2.gz REGKOAOTOAHLSM-ZDUSSCGKSA-N -1 0 344.363 3.540 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)o1 ZINC000740133628 599893632 /nfs/dbraw/zinc/89/36/32/599893632.db2.gz NTUNKFNGBAZMPR-IAGOWNOFSA-N -1 0 336.343 3.978 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000736376975 599895747 /nfs/dbraw/zinc/89/57/47/599895747.db2.gz QUESZXLDISPKCG-INIZCTEOSA-N -1 0 346.358 3.849 20 0 EHADRM Cc1cc(N2CCCC2)ccc1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000738407401 599896267 /nfs/dbraw/zinc/89/62/67/599896267.db2.gz GCOPSSMWKDJOSJ-UHFFFAOYSA-N -1 0 339.395 3.937 20 0 EHADRM CC(C)Sc1ccc([C@@H](C)NC(=O)[C@@H](NC(=O)[O-])C(C)C)cc1 ZINC000736498875 599898569 /nfs/dbraw/zinc/89/85/69/599898569.db2.gz CSFFGIALISRFIQ-DOMZBBRYSA-N -1 0 338.473 3.657 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000237249601 599900432 /nfs/dbraw/zinc/90/04/32/599900432.db2.gz IDBITZRPYCZZNE-OCCSQVGLSA-N -1 0 347.436 3.583 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)NCc2ccccc2C(F)(F)F)c1 ZINC000740030297 599903014 /nfs/dbraw/zinc/90/30/14/599903014.db2.gz IILIIOWNHJQTGE-UHFFFAOYSA-N -1 0 338.285 3.725 20 0 EHADRM CC(C)OC(=O)c1ccc(OC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000736485352 599903790 /nfs/dbraw/zinc/90/37/90/599903790.db2.gz SIXCAPQHFCPPQZ-UHFFFAOYSA-N -1 0 343.335 3.561 20 0 EHADRM CC(=O)Nc1c(C)ccc(NC(=O)c2cccc(NC(=O)[O-])c2)c1C ZINC000736156452 599907618 /nfs/dbraw/zinc/90/76/18/599907618.db2.gz WDJLOQMFTAJSQA-UHFFFAOYSA-N -1 0 341.367 3.604 20 0 EHADRM Cc1cccc(CC(=O)Nc2ccc(Br)cc2C(=O)[O-])c1 ZINC000052127614 599912239 /nfs/dbraw/zinc/91/22/39/599912239.db2.gz OVYBSUBTBCWWMS-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM C[C@H](OC(=O)CCCN(C)C(=O)[O-])c1ccccc1C(F)(F)F ZINC000736684917 599912249 /nfs/dbraw/zinc/91/22/49/599912249.db2.gz ODNMEEOQCWYFLW-JTQLQIEISA-N -1 0 333.306 3.700 20 0 EHADRM C[C@H](CC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-])c1ccccc1F ZINC000262444710 599913157 /nfs/dbraw/zinc/91/31/57/599913157.db2.gz UAGOMNWRCGCUSA-GFOFROLCSA-N -1 0 333.403 3.564 20 0 EHADRM Cn1cc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c(C2CCCCC2)n1 ZINC000739023641 599913186 /nfs/dbraw/zinc/91/31/86/599913186.db2.gz WLZMPJGWMKFADN-UHFFFAOYSA-N -1 0 345.374 3.557 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C)SCc2ccccc2)ccc1C(=O)[O-] ZINC000237621971 599914828 /nfs/dbraw/zinc/91/48/28/599914828.db2.gz UYDQHAVDMPCPQK-CYBMUJFWSA-N -1 0 329.421 3.954 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2Cl)ccc1C(=O)[O-] ZINC000237560611 599915947 /nfs/dbraw/zinc/91/59/47/599915947.db2.gz LPXXBRMRJLBJBU-LLVKDONJSA-N -1 0 333.771 3.753 20 0 EHADRM COc1cccc2cc(C(=O)Nc3ccc(C(=O)[O-])c(C)c3)oc21 ZINC000237355206 599916033 /nfs/dbraw/zinc/91/60/33/599916033.db2.gz FBZXPYKXWCKJMB-UHFFFAOYSA-N -1 0 325.320 3.700 20 0 EHADRM COc1ccc2nc(C(=O)Nc3ccc(C(=O)[O-])c(C)c3)ccc2c1 ZINC000237302531 599916600 /nfs/dbraw/zinc/91/66/00/599916600.db2.gz MJYILLXVXQMTSB-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM C[C@@H](CN(C(=O)CSc1ccc2ccccc2c1)C1CC1)C(=O)[O-] ZINC000237440757 599920684 /nfs/dbraw/zinc/92/06/84/599920684.db2.gz GQSDMNUUZXKOLL-ZDUSSCGKSA-N -1 0 343.448 3.644 20 0 EHADRM Cc1ccc(CC(=O)Nc2cccc(CSCC(=O)[O-])c2)cc1C ZINC000540670264 599923355 /nfs/dbraw/zinc/92/33/55/599923355.db2.gz CXRWRIFCFMYCAF-UHFFFAOYSA-N -1 0 343.448 3.802 20 0 EHADRM C[C@@H](CN(C(=O)c1cc2c(s1)CCCCCC2)C1CC1)C(=O)[O-] ZINC000237468843 599925521 /nfs/dbraw/zinc/92/55/21/599925521.db2.gz QGWGEDXOJVXZML-LBPRGKRZSA-N -1 0 335.469 3.732 20 0 EHADRM C[C@H](NC(=S)N[C@@H](CCC(=O)[O-])c1ccccc1)c1cccs1 ZINC000736660070 599926830 /nfs/dbraw/zinc/92/68/30/599926830.db2.gz DHAUKECDASEXRA-JSGCOSHPSA-N -1 0 348.493 3.879 20 0 EHADRM Cc1cccc(C2(C(=O)N3CCC(CC(=O)[O-])CC3)CCCC2)c1 ZINC000262374945 599928413 /nfs/dbraw/zinc/92/84/13/599928413.db2.gz BORBHSWYKKIKJF-UHFFFAOYSA-N -1 0 329.440 3.520 20 0 EHADRM C/C(=C\C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1)c1ccc(F)cc1 ZINC000736120947 599931562 /nfs/dbraw/zinc/93/15/62/599931562.db2.gz MPBAVFQUKKOWLG-JKGDOXCYSA-N -1 0 341.382 3.951 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccccc1 ZINC000327349493 599935004 /nfs/dbraw/zinc/93/50/04/599935004.db2.gz DPAOPNKAYIJUCC-LJQANCHMSA-N -1 0 337.419 3.901 20 0 EHADRM CCc1sc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)cc1C ZINC000320015823 599936122 /nfs/dbraw/zinc/93/61/22/599936122.db2.gz NTKNCXAGUSNRNF-AWEZNQCLSA-N -1 0 331.437 3.955 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)CCCc1cccs1)c1ccccc1 ZINC000193450901 599936150 /nfs/dbraw/zinc/93/61/50/599936150.db2.gz IEZOTNYFMQMMPB-INIZCTEOSA-N -1 0 331.437 3.793 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000392225404 599937860 /nfs/dbraw/zinc/93/78/60/599937860.db2.gz NIVSELLYRGJNFQ-DIKOGFFKSA-N -1 0 341.451 3.925 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)Cc1c(F)cccc1Cl)c1ccccc1 ZINC000193453432 599937945 /nfs/dbraw/zinc/93/79/45/599937945.db2.gz CYZZAOHOAYBVKQ-MRXNPFEDSA-N -1 0 349.789 3.744 20 0 EHADRM Cc1ccc(NC(=O)NCCOc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000738624436 599941153 /nfs/dbraw/zinc/94/11/53/599941153.db2.gz JEVBNQNEALHOPI-UHFFFAOYSA-N -1 0 348.786 3.547 20 0 EHADRM CC(C)CO[C@H](C)C(=O)OCc1c2ccccc2sc1C(=O)[O-] ZINC000736444214 599944336 /nfs/dbraw/zinc/94/43/36/599944336.db2.gz QBYSLAMWLNXVPJ-LLVKDONJSA-N -1 0 336.409 3.704 20 0 EHADRM O=C([O-])c1sc2ccccc2c1COC(=O)c1cc(C2CC2)[nH]n1 ZINC000740291257 599944964 /nfs/dbraw/zinc/94/49/64/599944964.db2.gz UCNUTJWTSWXSGP-UHFFFAOYSA-N -1 0 342.376 3.557 20 0 EHADRM C[C@H](OC(=O)Cc1csc(C(C)(C)C)n1)c1ccc(C(=O)[O-])o1 ZINC000736692891 599946171 /nfs/dbraw/zinc/94/61/71/599946171.db2.gz KPDZOSBSHWRHHC-VIFPVBQESA-N -1 0 337.397 3.579 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2ccc(-c3ccccc3F)o2)c1O ZINC000739478956 599947080 /nfs/dbraw/zinc/94/70/80/599947080.db2.gz CIZHKJDSUZWEKH-UHFFFAOYSA-N -1 0 341.294 3.742 20 0 EHADRM CCCN(CC)c1ccc(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)cn1 ZINC000236966675 599948592 /nfs/dbraw/zinc/94/85/92/599948592.db2.gz CGGMPYPVPZQETK-UHFFFAOYSA-N -1 0 341.411 3.577 20 0 EHADRM Cc1cc(NC(=O)c2cc(-c3cccs3)on2)ccc1C(=O)[O-] ZINC000321029649 599949517 /nfs/dbraw/zinc/94/95/17/599949517.db2.gz QADLTKXKFBLQOA-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM Cc1oc(C)c(C(=O)Nc2cccc(CSCC(=O)[O-])c2)c1C ZINC000610851596 599952752 /nfs/dbraw/zinc/95/27/52/599952752.db2.gz NKDKLOZXTLKQRY-UHFFFAOYSA-N -1 0 333.409 3.775 20 0 EHADRM O=C([O-])c1ccoc1COC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000740252896 599953316 /nfs/dbraw/zinc/95/33/16/599953316.db2.gz OSEPUQCTELUXNN-IAGOWNOFSA-N -1 0 336.343 3.978 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cccc(OC2CCCC2)c1)c1ccccc1 ZINC000740299712 599953815 /nfs/dbraw/zinc/95/38/15/599953815.db2.gz QNPQPIAOGSINMA-SFHVURJKSA-N -1 0 340.375 3.991 20 0 EHADRM COc1ccc(NC(=S)Nc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000243671695 599967303 /nfs/dbraw/zinc/96/73/03/599967303.db2.gz PEJAGYBZHPROQI-UHFFFAOYSA-N -1 0 336.800 3.856 20 0 EHADRM CSC[C@H](C)C(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C1CC1 ZINC000738188408 599970480 /nfs/dbraw/zinc/97/04/80/599970480.db2.gz KBIASJGVJWXPBF-JTQLQIEISA-N -1 0 347.436 3.887 20 0 EHADRM C[C@H](C(=O)N1CCCc2c(C(=O)[O-])cccc21)c1ccccc1F ZINC000736204149 599971204 /nfs/dbraw/zinc/97/12/04/599971204.db2.gz GSIBCMGPCCBHHH-LBPRGKRZSA-N -1 0 327.355 3.607 20 0 EHADRM Cc1ccc(CCCC(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000738588698 599972443 /nfs/dbraw/zinc/97/24/43/599972443.db2.gz DMVWBEZHNJNOJR-GOSISDBHSA-N -1 0 347.361 3.538 20 0 EHADRM Cc1ccc(C)c(NC(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])c1 ZINC000738574969 599993991 /nfs/dbraw/zinc/99/39/91/599993991.db2.gz SCCIPTAURZOQRV-OAHLLOKOSA-N -1 0 344.386 3.508 20 0 EHADRM Cc1[nH]c2ccccc2c1CCNC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000738249613 599995870 /nfs/dbraw/zinc/99/58/70/599995870.db2.gz XSCLWFUTZPWBTK-UHFFFAOYSA-N -1 0 337.379 3.539 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cccc(OCC(C)C)c2)c1 ZINC000327431621 600003550 /nfs/dbraw/zinc/00/35/50/600003550.db2.gz DUIBLOALHDWOCT-UHFFFAOYSA-N -1 0 343.379 3.681 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2oc3c(cccc3F)c2C)c1 ZINC000392698408 600004231 /nfs/dbraw/zinc/00/42/31/600004231.db2.gz FPMTXWPOKKNJQO-UHFFFAOYSA-N -1 0 343.310 3.839 20 0 EHADRM Cc1cccc(C[C@@H](CNC(=O)Nc2ccccc2Cl)C(=O)[O-])c1 ZINC000738708975 600009332 /nfs/dbraw/zinc/00/93/32/600009332.db2.gz SALKUKLULYLQSQ-AWEZNQCLSA-N -1 0 346.814 3.713 20 0 EHADRM CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000737105801 600011378 /nfs/dbraw/zinc/01/13/78/600011378.db2.gz FRFXJCXIKLZARB-UHFFFAOYSA-N -1 0 342.395 3.756 20 0 EHADRM Cc1cc(NC(=O)NCc2ccc([C@@H]3C[C@@H]3C)o2)ccc1C(=O)[O-] ZINC000738440138 600014679 /nfs/dbraw/zinc/01/46/79/600014679.db2.gz INBLKGAXOCKPPL-XHDPSFHLSA-N -1 0 328.368 3.731 20 0 EHADRM CCOc1ccc(CN(C)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000737206093 600015698 /nfs/dbraw/zinc/01/56/98/600015698.db2.gz YGNRHMULFVDVGW-UHFFFAOYSA-N -1 0 342.395 3.756 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCc1ncc(-c2cccs2)o1 ZINC000737861277 600016253 /nfs/dbraw/zinc/01/62/53/600016253.db2.gz DGASVKFPBOFEBV-UHFFFAOYSA-N -1 0 331.349 3.689 20 0 EHADRM O=C([O-])c1ccc(C(=O)OCc2ncc(-c3cccs3)o2)s1 ZINC000740120804 600019887 /nfs/dbraw/zinc/01/98/87/600019887.db2.gz MZSSLBUZLMLXQV-UHFFFAOYSA-N -1 0 335.362 3.520 20 0 EHADRM CCC(CC)(NC(=O)c1ccc(C(=O)[O-])nc1)c1ccc(Cl)cc1 ZINC000590439243 600024340 /nfs/dbraw/zinc/02/43/40/600024340.db2.gz MMSBOLMTRWILCX-UHFFFAOYSA-N -1 0 346.814 3.879 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)/C=C\c2nc3ccccc3s2)c1 ZINC000739890284 600028335 /nfs/dbraw/zinc/02/83/35/600028335.db2.gz YZIFDTONSCJCJK-HJWRWDBZSA-N -1 0 339.372 3.542 20 0 EHADRM COc1ccc2oc(C(=O)Oc3cccc(CC(=O)[O-])c3)c(C)c2c1 ZINC000738079561 600028647 /nfs/dbraw/zinc/02/86/47/600028647.db2.gz QLGULMZCTVYCQW-UHFFFAOYSA-N -1 0 340.331 3.596 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)c2ccc(-c3ccc(F)cc3)o2)c1 ZINC000739890066 600029126 /nfs/dbraw/zinc/02/91/26/600029126.db2.gz YNLGINSYNAOFIO-UHFFFAOYSA-N -1 0 340.306 3.932 20 0 EHADRM COc1ccccc1C/C(C)=C/C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000738124212 600038237 /nfs/dbraw/zinc/03/82/37/600038237.db2.gz OWSIECYWGGFTIE-ZRDIBKRKSA-N -1 0 343.354 3.660 20 0 EHADRM CCN(Cc1c(F)cccc1F)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000236908052 600042501 /nfs/dbraw/zinc/04/25/01/600042501.db2.gz AZSZGIXRCBKQJM-UHFFFAOYSA-N -1 0 347.361 3.644 20 0 EHADRM Cc1cccc(OC(F)F)c1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237667950 600042776 /nfs/dbraw/zinc/04/27/76/600042776.db2.gz CSAITQJKCBNKMJ-UHFFFAOYSA-N -1 0 349.333 3.866 20 0 EHADRM Cc1nc(CC(C)C)sc1C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000621556733 600042827 /nfs/dbraw/zinc/04/28/27/600042827.db2.gz QQVJCMSSILRHRD-UHFFFAOYSA-N -1 0 344.436 3.504 20 0 EHADRM CCSc1ccccc1C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000737229794 600044672 /nfs/dbraw/zinc/04/46/72/600044672.db2.gz PNLXDWOULQCJHU-UHFFFAOYSA-N -1 0 327.405 3.653 20 0 EHADRM C[C@H](CC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccccc1F ZINC000621556476 600044818 /nfs/dbraw/zinc/04/48/18/600044818.db2.gz LTEONDGENYJKKF-GFCCVEGCSA-N -1 0 327.355 3.560 20 0 EHADRM C[C@@H](CC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000621556827 600047264 /nfs/dbraw/zinc/04/72/64/600047264.db2.gz SLONSRDHVFUQGU-LBPRGKRZSA-N -1 0 327.355 3.560 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000262038355 600050139 /nfs/dbraw/zinc/05/01/39/600050139.db2.gz HMNQTHAUIPADFI-VOMCLLRMSA-N -1 0 341.860 3.580 20 0 EHADRM C[C@H](Sc1nnc(Cc2cccs2)o1)c1ccc(C(=O)[O-])o1 ZINC000736715141 600056466 /nfs/dbraw/zinc/05/64/66/600056466.db2.gz NJYPNPTUHQKYMR-QMMMGPOBSA-N -1 0 336.394 3.866 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)cc2F)C1 ZINC000178275221 600059268 /nfs/dbraw/zinc/05/92/68/600059268.db2.gz WSWGZCSNILENRW-ZDUSSCGKSA-N -1 0 347.773 3.693 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)Oc1ccccc1-c1nc2ccccc2s1 ZINC000739561014 600060853 /nfs/dbraw/zinc/06/08/53/600060853.db2.gz UREDQCMCEZWIFG-NEPJUHHUSA-N -1 0 339.372 3.589 20 0 EHADRM CC[C@H](C(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)[O-])c1ccccc1 ZINC000237083158 600069127 /nfs/dbraw/zinc/06/91/27/600069127.db2.gz AWLGJKCEEZLSTN-MOPGFXCFSA-N -1 0 339.435 3.548 20 0 EHADRM CC(C)c1ccc(NC(=O)c2cc(F)cc3nc[nH]c32)c(C(=O)[O-])c1 ZINC000736514833 600073662 /nfs/dbraw/zinc/07/36/62/600073662.db2.gz CORQLHJKMPVOIQ-UHFFFAOYSA-N -1 0 341.342 3.776 20 0 EHADRM Cc1cc2oc(=O)cc(CNc3ccc(F)c(C(=O)[O-])c3)c2cc1C ZINC000738486994 600075973 /nfs/dbraw/zinc/07/59/73/600075973.db2.gz NLRDJGRYPHSJNQ-UHFFFAOYSA-N -1 0 341.338 3.859 20 0 EHADRM CC(C)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(C(=O)[O-])cc1 ZINC000013414025 600076781 /nfs/dbraw/zinc/07/67/81/600076781.db2.gz JMKWYEPOTWLZBC-CYBMUJFWSA-N -1 0 327.380 3.914 20 0 EHADRM Cc1ccccc1Nc1nc(CN2CCC(CC(=O)[O-])CC2)cs1 ZINC000574332634 600077304 /nfs/dbraw/zinc/07/73/04/600077304.db2.gz UEFGVRLVJRVZIA-UHFFFAOYSA-N -1 0 345.468 3.882 20 0 EHADRM Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000738306185 600081887 /nfs/dbraw/zinc/08/18/87/600081887.db2.gz XOSTXORVYDSYDB-HUUCEWRRSA-N -1 0 329.783 3.975 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(CCCOc1cccc(Cl)c1)C2 ZINC000659791105 600087702 /nfs/dbraw/zinc/08/77/02/600087702.db2.gz QCQPBXVXBOAAOJ-UHFFFAOYSA-N -1 0 331.799 3.823 20 0 EHADRM CC(C)N(C)c1cccc(NC(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000263497929 600096910 /nfs/dbraw/zinc/09/69/10/600096910.db2.gz RRJSCXWUAWHGGV-UHFFFAOYSA-N -1 0 341.411 3.551 20 0 EHADRM COc1ccc(C[C@H](C)OC(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000737984116 600100501 /nfs/dbraw/zinc/10/05/01/600100501.db2.gz JCTRWSLSNQPPJE-AWEZNQCLSA-N -1 0 342.391 3.500 20 0 EHADRM COc1ccccc1C/C(C)=C\C(=O)OCc1cccc(C(=O)[O-])c1 ZINC000738124141 600108880 /nfs/dbraw/zinc/10/88/80/600108880.db2.gz LKVGFCLKNVRBLX-KAMYIIQDSA-N -1 0 340.375 3.626 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(Cc1cccc(Br)c1)C2 ZINC000156926330 600110286 /nfs/dbraw/zinc/11/02/86/600110286.db2.gz HZDMCFVDSWIDFA-UHFFFAOYSA-N -1 0 332.197 3.663 20 0 EHADRM C[C@H]1c2ccccc2CCN1C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000736840900 600112427 /nfs/dbraw/zinc/11/24/27/600112427.db2.gz UHZHOEKZTAWPAB-JTQLQIEISA-N -1 0 346.333 3.814 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)Nc1ccc3ncsc3c1)C2 ZINC000325872692 600112455 /nfs/dbraw/zinc/11/24/55/600112455.db2.gz JZWOOGKUOATEPW-UHFFFAOYSA-N -1 0 339.376 3.542 20 0 EHADRM Cc1nc(C)c([C@@H](C)N(C)C(=O)Nc2ccc(C(=O)[O-])cc2)s1 ZINC000738349010 600112759 /nfs/dbraw/zinc/11/27/59/600112759.db2.gz MCOZRQVZBCAPJK-SNVBAGLBSA-N -1 0 333.413 3.683 20 0 EHADRM CC1=NN(c2ccc(-c3nc(-c4ccc(C(=O)[O-])cc4)no3)cc2)CC1 ZINC000736746254 600114293 /nfs/dbraw/zinc/11/42/93/600114293.db2.gz IMGRXHDPHCDLCE-UHFFFAOYSA-N -1 0 348.362 3.688 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N2CCCc3ccccc3C2)ccc1F ZINC000740005166 600115529 /nfs/dbraw/zinc/11/55/29/600115529.db2.gz JAEDEWLXEPNYII-UHFFFAOYSA-N -1 0 343.358 3.896 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000736622879 600116551 /nfs/dbraw/zinc/11/65/51/600116551.db2.gz WCYXQGAGHYJQLQ-NSHDSACASA-N -1 0 334.318 3.585 20 0 EHADRM CC(C)CC(CC(C)C)NC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000736404057 600120780 /nfs/dbraw/zinc/12/07/80/600120780.db2.gz OVOTXPKOJCKPTL-UHFFFAOYSA-N -1 0 336.432 3.732 20 0 EHADRM Cc1cc(NC(=O)c2csc(-c3ccc(C)cc3)n2)c(C(=O)[O-])[nH]1 ZINC000738493185 600122562 /nfs/dbraw/zinc/12/25/62/600122562.db2.gz OBDOVOCHNFJPNO-UHFFFAOYSA-N -1 0 341.392 3.706 20 0 EHADRM Cc1cc(NC(=O)c2ccc(-c3ccccc3)nc2C)c(C(=O)[O-])[nH]1 ZINC000738448543 600123512 /nfs/dbraw/zinc/12/35/12/600123512.db2.gz LGCILBLLHZXBFD-UHFFFAOYSA-N -1 0 335.363 3.644 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)[C@H](C)Cc1cccc(F)c1 ZINC000736186904 600123909 /nfs/dbraw/zinc/12/39/09/600123909.db2.gz OLMGKWQRBKRCSG-LLVKDONJSA-N -1 0 344.338 3.511 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)/C=C/Sc1ccccc1 ZINC000736187332 600124629 /nfs/dbraw/zinc/12/46/29/600124629.db2.gz VRDOWKXQYLDAER-MDZDMXLPSA-N -1 0 342.372 3.799 20 0 EHADRM CC(C)[C@H]1CCC[C@H](NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000736396014 600125906 /nfs/dbraw/zinc/12/59/06/600125906.db2.gz UDRGSVABFPFTNL-IRXDYDNUSA-N -1 0 332.444 3.741 20 0 EHADRM CCCc1ccc(C(=O)Oc2ccc(C(=O)[O-])cc2C(C)=O)cc1 ZINC000737045765 600126184 /nfs/dbraw/zinc/12/61/84/600126184.db2.gz ZWSXKZHLOGITFX-UHFFFAOYSA-N -1 0 326.348 3.759 20 0 EHADRM Cc1ccc(OC(=O)Cc2cccc(Br)c2)c(C(=O)[O-])c1 ZINC000738640832 600132845 /nfs/dbraw/zinc/13/28/45/600132845.db2.gz OAQOXXZUTZLINE-UHFFFAOYSA-N -1 0 349.180 3.604 20 0 EHADRM Cc1ccc(OC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)c(C(=O)[O-])c1 ZINC000738642183 600132861 /nfs/dbraw/zinc/13/28/61/600132861.db2.gz ZFOLPIGGFJVFMA-MNOVXSKESA-N -1 0 330.302 3.967 20 0 EHADRM COc1ccc(/C=C\c2ncc(C(=O)[O-])s2)c(Cl)c1OC ZINC000340855577 600139232 /nfs/dbraw/zinc/13/92/32/600139232.db2.gz ODGKQYSAJNNUSV-XQRVVYSFSA-N -1 0 325.773 3.682 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)Oc1ccccc1C(=O)[O-] ZINC000738125693 600142897 /nfs/dbraw/zinc/14/28/97/600142897.db2.gz KMECSUBCBXQMMM-CYBMUJFWSA-N -1 0 328.364 3.568 20 0 EHADRM O=C([O-])c1ccccc1/C=C1\N=C(c2c(F)cccc2Cl)OC1=O ZINC000740316024 600143271 /nfs/dbraw/zinc/14/32/71/600143271.db2.gz KZJZAMMUJJCYGU-JYRVWZFOSA-N -1 0 345.713 3.522 20 0 EHADRM Cc1ccc2oc(C(=O)Nc3sc4c(c3C(=O)[O-])CCC4)cc2n1 ZINC000738681123 600150835 /nfs/dbraw/zinc/15/08/35/600150835.db2.gz SUGVPVLSEHXZIO-UHFFFAOYSA-N -1 0 342.376 3.637 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000236965732 600151473 /nfs/dbraw/zinc/15/14/73/600151473.db2.gz YJQMALNNVSJIOQ-VVHPZPEWSA-N -1 0 344.238 3.712 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)C(C)(C)c2ccccc2C)C(=O)[O-])cc1 ZINC000486385083 600156702 /nfs/dbraw/zinc/15/67/02/600156702.db2.gz GKVYEDZRQDSFOZ-QGZVFWFLSA-N -1 0 339.435 3.566 20 0 EHADRM CSc1ccc(C)c(C(=O)NC[C@H](C(=O)[O-])c2ccc(C)cc2)c1 ZINC000486373142 600156736 /nfs/dbraw/zinc/15/67/36/600156736.db2.gz PEMVCXRMUXTZNH-KRWDZBQOSA-N -1 0 343.448 3.624 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC000738125616 600175606 /nfs/dbraw/zinc/17/56/06/600175606.db2.gz HJEHKTBBYZVCMH-LIRRHRJNSA-N -1 0 342.391 3.633 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)OCc1cccc(C(=O)[O-])c1 ZINC000738125649 600175837 /nfs/dbraw/zinc/17/58/37/600175837.db2.gz ISLIRTXCIVOHAE-AWEZNQCLSA-N -1 0 342.391 3.706 20 0 EHADRM O=C([O-])c1sccc1NC(=O)N1CCC[C@@H](Oc2ccccc2)C1 ZINC000740288757 600178363 /nfs/dbraw/zinc/17/83/63/600178363.db2.gz GZLMTJPGDAQISH-CYBMUJFWSA-N -1 0 346.408 3.522 20 0 EHADRM CCN(C(=O)Cc1ccccc1OC(F)F)c1ccccc1C(=O)[O-] ZINC000737059400 600178817 /nfs/dbraw/zinc/17/88/17/600178817.db2.gz BICRBBFKSCJZOD-UHFFFAOYSA-N -1 0 349.333 3.582 20 0 EHADRM C[C@H]1CCC[C@@H](CCNC(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC000736776193 600183433 /nfs/dbraw/zinc/18/34/33/600183433.db2.gz UKZMERYXIBLPJU-GJZGRUSLSA-N -1 0 348.443 3.878 20 0 EHADRM Cc1ccc(C)c(NC(=S)N2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000738573771 600188860 /nfs/dbraw/zinc/18/88/60/600188860.db2.gz KDDUNRGADXPTNB-AWEZNQCLSA-N -1 0 326.421 3.689 20 0 EHADRM CC(C)CC[C@@H](NC(=O)N1CCC(CC(=O)[O-])CC1)C(C)(C)C ZINC000736429513 600189806 /nfs/dbraw/zinc/18/98/06/600189806.db2.gz ZDHSUHFPQMHOMF-OAHLLOKOSA-N -1 0 326.481 3.734 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)OCc1cc(C(=O)[O-])c(C)o1 ZINC000736927177 600191226 /nfs/dbraw/zinc/19/12/26/600191226.db2.gz AACNHIIXTAWUFB-HNNXBMFYSA-N -1 0 334.393 3.900 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c1C ZINC000738692108 600191415 /nfs/dbraw/zinc/19/14/15/600191415.db2.gz PTTUHRKMVGIFOD-HNNXBMFYSA-N -1 0 340.423 3.904 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000675950194 600192076 /nfs/dbraw/zinc/19/20/76/600192076.db2.gz SFVMFEHKQQSMAP-OCCSQVGLSA-N -1 0 349.477 3.809 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000736616969 600194549 /nfs/dbraw/zinc/19/45/49/600194549.db2.gz DTHBDOSRTONNCU-LLVKDONJSA-N -1 0 333.384 3.891 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])cc1 ZINC000736185122 600196262 /nfs/dbraw/zinc/19/62/62/600196262.db2.gz DILBLYRHWSPSLU-UHFFFAOYSA-N -1 0 325.364 3.963 20 0 EHADRM CC(C)c1ccc(CS(=O)(=O)C[C@H](C)C(=O)[O-])c(C(C)C)c1 ZINC000736607164 600197501 /nfs/dbraw/zinc/19/75/01/600197501.db2.gz MILHFVLTUZAJFO-ZDUSSCGKSA-N -1 0 326.458 3.569 20 0 EHADRM Cc1nc(-c2ccco2)ccc1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000343110372 600199268 /nfs/dbraw/zinc/19/92/68/600199268.db2.gz YEFYRCBLKBBEFI-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(Cl)c3cccnc23)c(F)c1 ZINC000479566115 600200384 /nfs/dbraw/zinc/20/03/84/600200384.db2.gz LIGSYYBDGVIHMK-UHFFFAOYSA-N -1 0 344.729 3.978 20 0 EHADRM Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000343102066 600201611 /nfs/dbraw/zinc/20/16/11/600201611.db2.gz KOMYXZCKSDUSLI-UHFFFAOYSA-N -1 0 342.301 3.772 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)CSc2ccccc2)c1 ZINC000737932408 600203347 /nfs/dbraw/zinc/20/33/47/600203347.db2.gz TWJMLVUKFAKANG-LBPRGKRZSA-N -1 0 345.420 3.760 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000237534694 600206229 /nfs/dbraw/zinc/20/62/29/600206229.db2.gz LJQYIYULHICJTA-MAUKXSAKSA-N -1 0 325.408 3.821 20 0 EHADRM C[C@H](CC(=O)N(CCC(=O)[O-])Cc1ccccc1)c1cccc(F)c1 ZINC000675945642 600206345 /nfs/dbraw/zinc/20/63/45/600206345.db2.gz XPQHHJJDGLDJJY-OAHLLOKOSA-N -1 0 343.398 3.823 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000237535275 600206357 /nfs/dbraw/zinc/20/63/57/600206357.db2.gz VRTIDSYSANGNLH-DZGCQCFKSA-N -1 0 331.437 3.882 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000237372865 600206370 /nfs/dbraw/zinc/20/63/70/600206370.db2.gz VRTIDSYSANGNLH-HIFRSBDPSA-N -1 0 331.437 3.882 20 0 EHADRM CCCN(C(=O)c1ccc(OCC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000737009404 600207852 /nfs/dbraw/zinc/20/78/52/600207852.db2.gz PVQWRYRIVWMLJU-UHFFFAOYSA-N -1 0 347.798 3.860 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)cc1 ZINC000238044847 600208022 /nfs/dbraw/zinc/20/80/22/600208022.db2.gz RUUMEJAMLWWLCC-ZIAGYGMSSA-N -1 0 345.345 3.724 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCc2cccs2)c(OC(F)F)c1 ZINC000739258805 600212490 /nfs/dbraw/zinc/21/24/90/600212490.db2.gz BSESLUSUSAFBLA-UHFFFAOYSA-N -1 0 341.335 3.619 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000262837781 600224575 /nfs/dbraw/zinc/22/45/75/600224575.db2.gz SYFQPBBMCTWIPQ-LBPRGKRZSA-N -1 0 344.436 3.578 20 0 EHADRM CC(C)(C)[C@@H]1CCCN(C(=O)Nc2ccc(OCC(=O)[O-])cc2)CC1 ZINC000392579004 600239637 /nfs/dbraw/zinc/23/96/37/600239637.db2.gz JUSZSTRDMXNATO-CQSZACIVSA-N -1 0 348.443 3.830 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NC1(c2ccccc2F)CC1 ZINC000738533791 600242009 /nfs/dbraw/zinc/24/20/09/600242009.db2.gz SYHYYBMNXATDOF-UHFFFAOYSA-N -1 0 328.343 3.643 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc(C(=O)[O-])cc2F)o1 ZINC000738582429 600242444 /nfs/dbraw/zinc/24/24/44/600242444.db2.gz JATIXQXFGUJSOD-CQSZACIVSA-N -1 0 332.331 3.794 20 0 EHADRM O=C([O-])c1ccc(-c2noc(-c3ccc(C(F)(F)F)cn3)n2)cc1 ZINC000325879887 600245890 /nfs/dbraw/zinc/24/58/90/600245890.db2.gz HNTGHZCKSLHDBR-UHFFFAOYSA-N -1 0 335.241 3.516 20 0 EHADRM CN(CCCC(=O)O[C@H]1CCCC[C@H]1c1ccc(F)cc1)C(=O)[O-] ZINC000737432769 600250576 /nfs/dbraw/zinc/25/05/76/600250576.db2.gz FIMTUJHBIZXTDW-HOTGVXAUSA-N -1 0 337.391 3.785 20 0 EHADRM Cc1ccc2[nH]c(C(=O)Nc3cccc(OCC(=O)[O-])c3)cc2c1C ZINC000237859542 600255452 /nfs/dbraw/zinc/25/54/52/600255452.db2.gz MCLRETQYTQWWFV-UHFFFAOYSA-N -1 0 338.363 3.500 20 0 EHADRM O=C([O-])CNc1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000738616804 600261385 /nfs/dbraw/zinc/26/13/85/600261385.db2.gz OZDQGYIPZJEFHQ-UHFFFAOYSA-N -1 0 339.178 3.742 20 0 EHADRM Cc1ccc2[nH]c(C(=O)O[C@H](C)c3ccc(C(=O)[O-])o3)cc2c1C ZINC000738667865 600268560 /nfs/dbraw/zinc/26/85/60/600268560.db2.gz VLRJOMXFJAPSCV-LLVKDONJSA-N -1 0 327.336 3.994 20 0 EHADRM CCc1ccccc1NC(=S)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737274011 600279189 /nfs/dbraw/zinc/27/91/89/600279189.db2.gz GILSAGPYKYRGOC-UHFFFAOYSA-N -1 0 329.425 3.826 20 0 EHADRM CC(C)(NC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1cccc(F)c1 ZINC000736325007 600279475 /nfs/dbraw/zinc/27/94/75/600279475.db2.gz UINBLNYRZALHAP-UHFFFAOYSA-N -1 0 345.374 3.650 20 0 EHADRM CCCC[C@@H](CC)CC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000736982403 600281297 /nfs/dbraw/zinc/28/12/97/600281297.db2.gz NTXZPWVNARONQJ-BDJLRTHQSA-N -1 0 327.371 3.813 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)NCc2ccc(F)c(F)c2)c1 ZINC000322563957 600284630 /nfs/dbraw/zinc/28/46/30/600284630.db2.gz DIQPPNJEQJQZRZ-UHFFFAOYSA-N -1 0 340.713 3.638 20 0 EHADRM COc1ccc([C@H](C)NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000325356780 600284643 /nfs/dbraw/zinc/28/46/43/600284643.db2.gz GNYLTXNBGZJJHJ-JTQLQIEISA-N -1 0 348.786 3.930 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)c(Cl)c1 ZINC000737930766 600284839 /nfs/dbraw/zinc/28/48/39/600284839.db2.gz QYUVAEJVCRQCCJ-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM C[C@H](C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)c1ccccc1F ZINC000736213840 600286394 /nfs/dbraw/zinc/28/63/94/600286394.db2.gz COBORWBIAXJVIY-LBPRGKRZSA-N -1 0 330.359 3.678 20 0 EHADRM CC(C)(CNC(=O)CCc1ccc(C(=O)[O-])cc1)Cc1ccccc1 ZINC000236650958 600297938 /nfs/dbraw/zinc/29/79/38/600297938.db2.gz BQDDEYBPTRVQTP-UHFFFAOYSA-N -1 0 339.435 3.703 20 0 EHADRM O=C([O-])C1(NCc2ncc(-c3ccc(Cl)cc3)o2)CCCCC1 ZINC000739519775 600319493 /nfs/dbraw/zinc/31/94/93/600319493.db2.gz OIULCJNRNLUDHW-UHFFFAOYSA-N -1 0 334.803 3.872 20 0 EHADRM O=C([O-])[C@H](OC(=O)CCC(=O)c1ccccc1)c1cccc(Cl)c1 ZINC000739227092 600320320 /nfs/dbraw/zinc/32/03/20/600320320.db2.gz ZKOMJOUFIRQRCD-QGZVFWFLSA-N -1 0 346.766 3.672 20 0 EHADRM Cn1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)c2ccccc21 ZINC000739028446 600323514 /nfs/dbraw/zinc/32/35/14/600323514.db2.gz WMSFEMQQBUECPG-INIZCTEOSA-N -1 0 343.766 3.814 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cc2cc(F)ccc2[nH]1)c1cccc(Cl)c1 ZINC000740289066 600323929 /nfs/dbraw/zinc/32/39/29/600323929.db2.gz CNMBFVVNGFWYBH-OAHLLOKOSA-N -1 0 347.729 3.943 20 0 EHADRM COc1cccc([C@@H](C)C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000738088867 600327624 /nfs/dbraw/zinc/32/76/24/600327624.db2.gz AUSORWLRHFSBDW-BZNIZROVSA-N -1 0 348.782 3.821 20 0 EHADRM CC[C@@H]1CN(Cc2c(C(=O)[O-])sc3cccc(F)c32)C[C@@H](C)O1 ZINC000736945274 600332478 /nfs/dbraw/zinc/33/24/78/600332478.db2.gz VYIIAFMVIIZXNW-GHMZBOCLSA-N -1 0 337.416 3.738 20 0 EHADRM CCc1cccc(CC)c1NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405388884 600333289 /nfs/dbraw/zinc/33/32/89/600333289.db2.gz IJBFLZNYZYVWPF-OAHLLOKOSA-N -1 0 330.428 3.530 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(C(=O)[O-])cc1)Cc1ccccc1 ZINC000736322098 600335295 /nfs/dbraw/zinc/33/52/95/600335295.db2.gz ORSYZTJTGVAXAU-UHFFFAOYSA-N -1 0 326.396 3.775 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)NC[C@H]2CCc3ccccc3C2)c1 ZINC000740043171 600337620 /nfs/dbraw/zinc/33/76/20/600337620.db2.gz PFYSVUMCRKGFPO-ZDUSSCGKSA-N -1 0 339.395 3.703 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CNC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736781543 600342746 /nfs/dbraw/zinc/34/27/46/600342746.db2.gz PUVLUWDSLUNNPW-UKRRQHHQSA-N -1 0 333.432 3.744 20 0 EHADRM C[C@@H](c1ccco1)N(C)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736724065 600346075 /nfs/dbraw/zinc/34/60/75/600346075.db2.gz HYPJLRKJSJATTQ-LBPRGKRZSA-N -1 0 331.372 3.614 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2ccc(CNC(=O)[O-])cc2)s1 ZINC000738553961 600348705 /nfs/dbraw/zinc/34/87/05/600348705.db2.gz XSEPALFEJMLPMY-LLVKDONJSA-N -1 0 333.413 3.707 20 0 EHADRM C[C@H](CCNC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccccc1 ZINC000736560231 600350017 /nfs/dbraw/zinc/35/00/17/600350017.db2.gz CTQGFMGUYCOAFO-CQSZACIVSA-N -1 0 341.411 3.770 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)N[C@H](c2cccs2)C2CC2)cc1 ZINC000739987516 600354774 /nfs/dbraw/zinc/35/47/74/600354774.db2.gz BQHAOQMJFUQPEY-HNNXBMFYSA-N -1 0 345.424 3.789 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000738551485 600356905 /nfs/dbraw/zinc/35/69/05/600356905.db2.gz KFQJCYGLGNJUDT-ZDUSSCGKSA-N -1 0 327.384 3.645 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1C ZINC000738550544 600357845 /nfs/dbraw/zinc/35/78/45/600357845.db2.gz GDLRNILKWRQBLT-AWEZNQCLSA-N -1 0 341.411 3.954 20 0 EHADRM CC[C@@H](Sc1[nH]c(=O)nc(C)c1C(=O)[O-])c1ccc(F)cc1F ZINC000736929704 600361730 /nfs/dbraw/zinc/36/17/30/600361730.db2.gz SIEQENVIAPZFOU-LLVKDONJSA-N -1 0 340.351 3.710 20 0 EHADRM O=C([O-])Nc1ccc(CCNc2nnc(-c3ccccc3)s2)cc1 ZINC000740025345 600363854 /nfs/dbraw/zinc/36/38/54/600363854.db2.gz RCCTYAWUBKEKEN-UHFFFAOYSA-N -1 0 340.408 3.950 20 0 EHADRM COc1ccc(C2(C(=O)Nc3cc(C)c(C(=O)[O-])s3)CCC2)cc1 ZINC000737972336 600369411 /nfs/dbraw/zinc/36/94/11/600369411.db2.gz MNIVKUYMKLMZGR-UHFFFAOYSA-N -1 0 345.420 3.824 20 0 EHADRM Cc1cc(NC(=O)c2sc(CC(C)C)nc2C)sc1C(=O)[O-] ZINC000738240510 600369792 /nfs/dbraw/zinc/36/97/92/600369792.db2.gz NAQHSFOIHGLUAO-UHFFFAOYSA-N -1 0 338.454 3.970 20 0 EHADRM Cc1cc(NC(=O)Cc2ccccc2C(F)(F)F)sc1C(=O)[O-] ZINC000738237206 600370006 /nfs/dbraw/zinc/37/00/06/600370006.db2.gz DJKULBNGNKDEPM-UHFFFAOYSA-N -1 0 343.326 3.955 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2Cl)sc1C(=O)[O-] ZINC000314229471 600370531 /nfs/dbraw/zinc/37/05/31/600370531.db2.gz GHTQIZWOIJXYPS-SECBINFHSA-N -1 0 339.800 3.814 20 0 EHADRM Cc1cc(NC(=O)CCOc2ccc(Cl)cc2)sc1C(=O)[O-] ZINC000738420559 600370775 /nfs/dbraw/zinc/37/07/75/600370775.db2.gz AZMRFZQKWLENQJ-UHFFFAOYSA-N -1 0 339.800 3.816 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000236975937 600378088 /nfs/dbraw/zinc/37/80/88/600378088.db2.gz FFRJJYPVFYVPIQ-BEFAXECRSA-N -1 0 339.435 3.555 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)COc1ccc(C)c(C)c1)c1ccccc1 ZINC000736850557 600378644 /nfs/dbraw/zinc/37/86/44/600378644.db2.gz AVLUEFONXNXCDO-GOSISDBHSA-N -1 0 341.407 3.579 20 0 EHADRM O=C([O-])[C@H](Sc1nnc(Cc2cccc(F)c2)o1)c1ccccc1 ZINC000738526832 600379036 /nfs/dbraw/zinc/37/90/36/600379036.db2.gz WWUZWNPTKMNBHS-OAHLLOKOSA-N -1 0 344.367 3.718 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)CSc1ccc(F)cc1)c1ccccc1 ZINC000736852987 600379638 /nfs/dbraw/zinc/37/96/38/600379638.db2.gz PZNPATXMMDACMY-INIZCTEOSA-N -1 0 347.411 3.814 20 0 EHADRM Cc1cccc([C@H]2CCCCCN2C(=S)NCCCC(=O)[O-])c1 ZINC000738687315 600380167 /nfs/dbraw/zinc/38/01/67/600380167.db2.gz IGUUDQUCSCJFDE-MRXNPFEDSA-N -1 0 334.485 3.651 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)/C=C/c1ccnc2ccccc12 ZINC000737865964 600380816 /nfs/dbraw/zinc/38/08/16/600380816.db2.gz LSIGQWPNBNWLIG-VQHVLOKHSA-N -1 0 349.342 3.560 20 0 EHADRM C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(C)(C)CCC(=O)[O-] ZINC000237474825 600381590 /nfs/dbraw/zinc/38/15/90/600381590.db2.gz NDHMBBRYIOSNES-SECBINFHSA-N -1 0 348.226 3.520 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@H]2CCCc3ccccc32)ccc1F ZINC000392048610 600381825 /nfs/dbraw/zinc/38/18/25/600381825.db2.gz ODXWPCWGNLMJRZ-INIZCTEOSA-N -1 0 328.343 3.723 20 0 EHADRM CC[C@H](CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccccc1 ZINC000736905058 600382012 /nfs/dbraw/zinc/38/20/12/600382012.db2.gz PVIBUOSCCHCPTQ-GFCCVEGCSA-N -1 0 330.359 3.839 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccccc1OC ZINC000736913384 600384274 /nfs/dbraw/zinc/38/42/74/600384274.db2.gz BBZSZHKHXLESDX-OAHLLOKOSA-N -1 0 346.358 3.805 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CCC[C@H]2c2cccs2)ccc1F ZINC000740090044 600384700 /nfs/dbraw/zinc/38/47/00/600384700.db2.gz KULVXOAYPFKHAJ-ZDUSSCGKSA-N -1 0 334.372 3.954 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CCC[C@H]2c2ccsc2)ccc1F ZINC000740089997 600384816 /nfs/dbraw/zinc/38/48/16/600384816.db2.gz IFPRUANWLNAGHH-AWEZNQCLSA-N -1 0 334.372 3.954 20 0 EHADRM COc1ccc([C@H](C)N(C)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000737950616 600385616 /nfs/dbraw/zinc/38/56/16/600385616.db2.gz SCAIEQHRMDYHHM-NSHDSACASA-N -1 0 346.358 3.757 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1ccc(Cl)cc1OC)c1ccccc1 ZINC000736854556 600386841 /nfs/dbraw/zinc/38/68/41/600386841.db2.gz XSJVROWUSTXILE-OAHLLOKOSA-N -1 0 347.798 3.859 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)c2cc3c(s2)CCCC3)cc1 ZINC000740019718 600387544 /nfs/dbraw/zinc/38/75/44/600387544.db2.gz HTEAEEGQQDHTSI-UHFFFAOYSA-N -1 0 344.436 3.689 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)C=Cc2ccc(Cl)cc2)cc1 ZINC000740016097 600387570 /nfs/dbraw/zinc/38/75/70/600387570.db2.gz BDLAXLLMZBMGLN-YHYXMXQVSA-N -1 0 344.798 3.802 20 0 EHADRM Cc1ccc(C[C@H](C)N(C)C(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000237542196 600389500 /nfs/dbraw/zinc/38/95/00/600389500.db2.gz XHPXFKWZLXUVRT-INIZCTEOSA-N -1 0 339.435 3.715 20 0 EHADRM O=C([O-])c1cc(NC(=O)N(Cc2ccc(F)cc2)C2CC2)ccc1F ZINC000740082440 600390302 /nfs/dbraw/zinc/39/03/02/600390302.db2.gz XPWZZHWSTLWWKG-UHFFFAOYSA-N -1 0 346.333 3.860 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N(Cc2ccccc2)C2CC2)c(F)c1 ZINC000383544908 600394675 /nfs/dbraw/zinc/39/46/75/600394675.db2.gz FSUVSRUIDYTESM-UHFFFAOYSA-N -1 0 328.343 3.720 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000236953693 600398826 /nfs/dbraw/zinc/39/88/26/600398826.db2.gz IOPDJQGNGKEFDH-PGUXBMHVSA-N -1 0 345.361 3.815 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCc2ccc(Cl)s2)c(F)c1 ZINC000071319946 600401423 /nfs/dbraw/zinc/40/14/23/600401423.db2.gz DDEJZSUCOOETMN-UHFFFAOYSA-N -1 0 328.752 3.561 20 0 EHADRM CCC1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)CC1 ZINC000736940878 600404366 /nfs/dbraw/zinc/40/43/66/600404366.db2.gz VEVKENVDLOVOIQ-UHFFFAOYSA-N -1 0 342.342 3.640 20 0 EHADRM C[C@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)CC1 ZINC000736788948 600404388 /nfs/dbraw/zinc/40/43/88/600404388.db2.gz IXWOUPVBQGIZJL-JTQLQIEISA-N -1 0 342.342 3.640 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)Nc2cccc(C(=O)[O-])c2C)s1 ZINC000738465156 600406098 /nfs/dbraw/zinc/40/60/98/600406098.db2.gz PFQJAUOFDWSIGG-UHFFFAOYSA-N -1 0 341.335 3.917 20 0 EHADRM CCOc1ccc(N[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1OC ZINC000737203923 600417603 /nfs/dbraw/zinc/41/76/03/600417603.db2.gz UBIGUQBBJSOCJI-INIZCTEOSA-N -1 0 335.787 3.985 20 0 EHADRM O=C([O-])[C@@H](Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(F)cc1 ZINC000739511252 600426468 /nfs/dbraw/zinc/42/64/68/600426468.db2.gz GEDHUDOKNLHROH-MSOLQXFVSA-N -1 0 345.370 3.621 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000139252310 600426698 /nfs/dbraw/zinc/42/66/98/600426698.db2.gz VJAZQDAQFLAJEA-QAPCUYQASA-N -1 0 325.408 3.588 20 0 EHADRM O=C([O-])CNc1ccc(OCc2ccccc2)c(Br)c1 ZINC000738618329 600429509 /nfs/dbraw/zinc/42/95/09/600429509.db2.gz ZEQNJOPVFIOLEW-UHFFFAOYSA-N -1 0 336.185 3.525 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)c2ccc(COc3ccccc3)cc2)c1 ZINC000740244878 600435312 /nfs/dbraw/zinc/43/53/12/600435312.db2.gz PTRFSUFKFSQXTI-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM Cc1cc(COC(=O)C[C@H]2CCc3ccccc3C2)oc1C(=O)[O-] ZINC000738393273 600436833 /nfs/dbraw/zinc/43/68/33/600436833.db2.gz VCPXIAPZRZPVNE-ZDUSSCGKSA-N -1 0 328.364 3.525 20 0 EHADRM CCS[C@H]1CCCCN(C(=O)Nc2cc(C(=O)[O-])ccc2F)C1 ZINC000737229473 600437013 /nfs/dbraw/zinc/43/70/13/600437013.db2.gz LEYNOODKDNAWAR-LBPRGKRZSA-N -1 0 340.420 3.663 20 0 EHADRM Cc1cccc(OCCCC(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000738738263 600442482 /nfs/dbraw/zinc/44/24/82/600442482.db2.gz ZTGKOVOYMCXECY-GOSISDBHSA-N -1 0 346.354 3.662 20 0 EHADRM Cc1ccc2cc(C(=O)O[C@H](C(=O)[O-])c3ccc(F)cc3)[nH]c2c1 ZINC000738675362 600442681 /nfs/dbraw/zinc/44/26/81/600442681.db2.gz LOXQRWOJAXLQEG-INIZCTEOSA-N -1 0 327.311 3.598 20 0 EHADRM O=C([O-])[C@@H](OC(=O)CCSc1ccccc1)c1ccc(F)cc1 ZINC000739252908 600443738 /nfs/dbraw/zinc/44/37/38/600443738.db2.gz XZWSNANCILTNNN-INIZCTEOSA-N -1 0 334.368 3.677 20 0 EHADRM O=C([O-])c1cc(OCc2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000326897878 600444385 /nfs/dbraw/zinc/44/43/85/600444385.db2.gz INGIIFBGIZEOIW-UHFFFAOYSA-N -1 0 341.241 3.891 20 0 EHADRM Cc1ccc(C)c(OCCC(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000738576811 600444953 /nfs/dbraw/zinc/44/49/53/600444953.db2.gz AMOVGZFEVKWKDN-SFHVURJKSA-N -1 0 346.354 3.581 20 0 EHADRM O=C([O-])[C@@H](OC(=O)/C=C/Sc1ccccc1)c1ccc(F)cc1 ZINC000739215749 600446769 /nfs/dbraw/zinc/44/67/69/600446769.db2.gz LFIBNGPXUNRTOU-OFAQMXQXSA-N -1 0 332.352 3.801 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@H]1CCCc2ccccc21)c1ccc(F)cc1 ZINC000740290475 600449631 /nfs/dbraw/zinc/44/96/31/600449631.db2.gz TVRFEHDWYNSTAX-DLBZAZTESA-N -1 0 328.339 3.615 20 0 EHADRM Cc1cc(N[C@@H](C(=O)[O-])c2ccccc2)ccc1OC1CCOCC1 ZINC000738240533 600453701 /nfs/dbraw/zinc/45/37/01/600453701.db2.gz OBWPEDZDCUHUGY-LJQANCHMSA-N -1 0 341.407 3.791 20 0 EHADRM C[C@H]1CCCC[C@@H]1CCNC(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000736780150 600455285 /nfs/dbraw/zinc/45/52/85/600455285.db2.gz KOSXNFVNOSOMHY-LSDHHAIUSA-N -1 0 348.443 3.878 20 0 EHADRM Cc1ccc([C@H](C)CNC(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000738553316 600455390 /nfs/dbraw/zinc/45/53/90/600455390.db2.gz WTLXQIWEZIVPMT-CQSZACIVSA-N -1 0 326.396 3.927 20 0 EHADRM Cc1ccc2cccc(NC(=O)N3Cc4ccc(C(=O)[O-])cc4C3)c2n1 ZINC000738675886 600456944 /nfs/dbraw/zinc/45/69/44/600456944.db2.gz UPNADRWZYGHLLP-UHFFFAOYSA-N -1 0 347.374 3.789 20 0 EHADRM C[C@@H](OC(=O)C[C@H]1CCOc2ccccc21)c1ccc(C(=O)[O-])o1 ZINC000736684173 600457185 /nfs/dbraw/zinc/45/71/85/600457185.db2.gz LPXMETVIGPTRPK-VXGBXAGGSA-N -1 0 330.336 3.538 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738756177 600457992 /nfs/dbraw/zinc/45/79/92/600457992.db2.gz IBWDOCDGGFDGMM-ACJLOTCBSA-N -1 0 330.355 3.997 20 0 EHADRM O=C([O-])c1ccc(COC(=O)/C=C/c2ccnc3ccccc23)cc1 ZINC000739216070 600458041 /nfs/dbraw/zinc/45/80/41/600458041.db2.gz NIXSJPXJWPGODR-MDZDMXLPSA-N -1 0 333.343 3.690 20 0 EHADRM CC[C@H](OC(=O)c1cccc(NC(=O)[O-])c1)C(=O)c1ccccc1 ZINC000736926787 600465986 /nfs/dbraw/zinc/46/59/86/600465986.db2.gz IUHIWCUGIQZXRZ-HNNXBMFYSA-N -1 0 327.336 3.595 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)Nc1nc3ccsc3s1)C2 ZINC000740199605 600466108 /nfs/dbraw/zinc/46/61/08/600466108.db2.gz UBUYQZQUPBXPIH-UHFFFAOYSA-N -1 0 345.405 3.604 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)N[C@H](CC(=O)[O-])c1ccc(OC)cc1 ZINC000736903674 600466474 /nfs/dbraw/zinc/46/64/74/600466474.db2.gz ARPJFRUKYXJXSY-CRAIPNDOSA-N -1 0 347.455 3.934 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)Nc2cccc(NC(=O)[O-])c2)s1 ZINC000738589588 600477367 /nfs/dbraw/zinc/47/73/67/600477367.db2.gz PQOWRCMMEMMCQG-SNVBAGLBSA-N -1 0 333.413 3.899 20 0 EHADRM Cc1ccc([C@H](C)CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000738551630 600478217 /nfs/dbraw/zinc/47/82/17/600478217.db2.gz LWZYGCYOJUEXNA-GFCCVEGCSA-N -1 0 330.359 3.758 20 0 EHADRM COc1cccc([C@H](C)C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000181502599 600478226 /nfs/dbraw/zinc/47/82/26/600478226.db2.gz LVEYPGLCPYRRHR-JTQLQIEISA-N -1 0 333.771 3.789 20 0 EHADRM C[C@@H](OCc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000237425554 600478337 /nfs/dbraw/zinc/47/83/37/600478337.db2.gz XXROVYKOHIZBHO-LLVKDONJSA-N -1 0 333.771 3.582 20 0 EHADRM Cc1ccc(F)c(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c1 ZINC000237767960 600479550 /nfs/dbraw/zinc/47/95/50/600479550.db2.gz WTHQMBWCFQLZOL-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)o1 ZINC000345910518 600479660 /nfs/dbraw/zinc/47/96/60/600479660.db2.gz UJVOIDCKSSUWQS-IAGOWNOFSA-N -1 0 335.359 3.551 20 0 EHADRM CCOc1cccc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c1 ZINC000263155688 600479772 /nfs/dbraw/zinc/47/97/72/600479772.db2.gz NCMSFXIJAOWOSU-UHFFFAOYSA-N -1 0 343.379 3.581 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)Cc2coc3ccc4ccccc4c23)o1 ZINC000554282664 600479942 /nfs/dbraw/zinc/47/99/42/600479942.db2.gz HJYWTPMPHGJYEY-UHFFFAOYSA-N -1 0 349.342 3.736 20 0 EHADRM C[C@H](C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)n1cnc2ccccc21 ZINC000392045340 600480040 /nfs/dbraw/zinc/48/00/40/600480040.db2.gz QUIJVMHZPSGCON-SNVBAGLBSA-N -1 0 343.770 3.588 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)C2(c3ccccc3)CC2)cc1 ZINC000238018532 600480590 /nfs/dbraw/zinc/48/05/90/600480590.db2.gz MMVJRUWFIXRSPN-UHFFFAOYSA-N -1 0 339.391 3.601 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)s1 ZINC000321856338 600481047 /nfs/dbraw/zinc/48/10/47/600481047.db2.gz LJHVJBCYUUCMJZ-LLVKDONJSA-N -1 0 332.425 3.816 20 0 EHADRM Cc1ccc(C[C@@H](C)N(C)C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000738584537 600482325 /nfs/dbraw/zinc/48/23/25/600482325.db2.gz KCVLJNOAIRJEMV-CYBMUJFWSA-N -1 0 344.386 3.927 20 0 EHADRM O=C([O-])CCCOc1ccc(CNC(=O)c2cccc(Cl)c2)cc1 ZINC000237998412 600483039 /nfs/dbraw/zinc/48/30/39/600483039.db2.gz JOQHCBLULKMMSM-UHFFFAOYSA-N -1 0 347.798 3.514 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2cccc(Nc3ccccc3)c2)o1 ZINC000739438898 600486010 /nfs/dbraw/zinc/48/60/10/600486010.db2.gz BTZQVUVDDLWWDX-UHFFFAOYSA-N -1 0 336.347 3.651 20 0 EHADRM CC1CCC(C)(NC(=O)NCCc2ccc(NC(=O)[O-])cc2)CC1 ZINC000736762711 600494963 /nfs/dbraw/zinc/49/49/63/600494963.db2.gz LTSOBHPPDUEICK-UHFFFAOYSA-N -1 0 333.432 3.587 20 0 EHADRM C[C@H]1CCCC[C@H]1N(C)C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736784351 600498789 /nfs/dbraw/zinc/49/87/89/600498789.db2.gz IDLQYFZMIDBLJE-XJKSGUPXSA-N -1 0 333.432 3.539 20 0 EHADRM CCCCOCC(=O)OCc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000736999696 600503686 /nfs/dbraw/zinc/50/36/86/600503686.db2.gz XVLUAWGFKHCLCC-UHFFFAOYSA-N -1 0 340.372 3.599 20 0 EHADRM Cc1ccccc1[C@@H](CC(C)C)NC(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000738757524 600505458 /nfs/dbraw/zinc/50/54/58/600505458.db2.gz BHNICFJFLQZITM-DOTOQJQBSA-N -1 0 347.459 3.524 20 0 EHADRM CC[C@](NCc1csc(-c2ccco2)n1)(C(=O)[O-])c1ccccc1 ZINC000736919524 600505736 /nfs/dbraw/zinc/50/57/36/600505736.db2.gz AVEPFVKYRUNCQB-GOSISDBHSA-N -1 0 342.420 3.883 20 0 EHADRM Cc1cc(NC(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)ccc1C(=O)[O-] ZINC000738439315 600505952 /nfs/dbraw/zinc/50/59/52/600505952.db2.gz CXMNMBVZWYTANO-BBRMVZONSA-N -1 0 348.443 3.656 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCc3sccc3C2)cc1Cl ZINC000315008563 600506465 /nfs/dbraw/zinc/50/64/65/600506465.db2.gz RZZHXGKNJUKFDL-UHFFFAOYSA-N -1 0 336.800 3.690 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1Cl ZINC000321405243 600510259 /nfs/dbraw/zinc/51/02/59/600510259.db2.gz AOWRDLXYKHORDF-HIFRSBDPSA-N -1 0 330.771 3.716 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CC[C@H](c3ccco3)C2)cc1Cl ZINC000740148727 600517184 /nfs/dbraw/zinc/51/71/84/600517184.db2.gz ZKNHIQUCVCOGDF-JTQLQIEISA-N -1 0 334.759 3.653 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC000675985626 600521740 /nfs/dbraw/zinc/52/17/40/600521740.db2.gz HSZLBKLNCGWWFT-INIZCTEOSA-N -1 0 327.380 3.708 20 0 EHADRM Cc1cccc([C@H](C)C(=O)N(CCC(=O)[O-])Cc2ccccc2)c1 ZINC000675946504 600522347 /nfs/dbraw/zinc/52/23/47/600522347.db2.gz HMOJRKVIOKIMHW-INIZCTEOSA-N -1 0 325.408 3.602 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000262326469 600523274 /nfs/dbraw/zinc/52/32/74/600523274.db2.gz XCJRARSKYSZROW-SFHVURJKSA-N -1 0 325.408 3.767 20 0 EHADRM CCN(C(=O)c1cccc(OC(F)F)c1)c1ccccc1C(=O)[O-] ZINC000737059080 600523568 /nfs/dbraw/zinc/52/35/68/600523568.db2.gz GSHICDWJQTUBSJ-UHFFFAOYSA-N -1 0 335.306 3.653 20 0 EHADRM CCN(C(=O)c1ccc(Br)cc1)c1ccccc1C(=O)[O-] ZINC000737057101 600524425 /nfs/dbraw/zinc/52/44/25/600524425.db2.gz BFDFDOYKRYXWGH-UHFFFAOYSA-N -1 0 348.196 3.814 20 0 EHADRM CS[C@H](C(=O)Nc1ccc(OCCC(=O)[O-])cc1)c1ccccc1 ZINC000738182657 600525502 /nfs/dbraw/zinc/52/55/02/600525502.db2.gz SOCLWUZNFPQBNI-KRWDZBQOSA-N -1 0 345.420 3.583 20 0 EHADRM Cc1ccccc1C[C@@H]1CCCN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000738767386 600526046 /nfs/dbraw/zinc/52/60/46/600526046.db2.gz GMRFYVMJEFYNNK-SFHVURJKSA-N -1 0 338.407 3.932 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@H](C)c1cccc(C)c1)c1ccccc1 ZINC000736850127 600527132 /nfs/dbraw/zinc/52/71/32/600527132.db2.gz STQHUPIKTWFQGL-QAPCUYQASA-N -1 0 325.408 3.995 20 0 EHADRM CC(C)(C)[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000675985980 600532749 /nfs/dbraw/zinc/53/27/49/600532749.db2.gz VMLRMJDITCHZCD-GMXVVIOVSA-N -1 0 344.238 3.712 20 0 EHADRM Cc1c(Cl)c(C(=O)[O-])nn1CN(C)[C@@H](c1ccccc1)C(C)C ZINC000738289844 600539269 /nfs/dbraw/zinc/53/92/69/600539269.db2.gz OCZIYONACOOOEG-MRXNPFEDSA-N -1 0 335.835 3.830 20 0 EHADRM Cc1c2ccccc2oc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000237855055 600542976 /nfs/dbraw/zinc/54/29/76/600542976.db2.gz GYCJMDWNSVLWII-UHFFFAOYSA-N -1 0 340.291 3.600 20 0 EHADRM COc1ccccc1CC(C)(C)C(=O)OCc1cccc(C(=O)[O-])c1 ZINC000738124567 600546335 /nfs/dbraw/zinc/54/63/35/600546335.db2.gz RVWBSLZOBQJEFL-UHFFFAOYSA-N -1 0 342.391 3.706 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000263356407 600554514 /nfs/dbraw/zinc/55/45/14/600554514.db2.gz XCYHORYEDKLQMK-MRXNPFEDSA-N -1 0 349.427 3.848 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)N3CCC(C(=O)[O-])CC3)cc2s1 ZINC000263515034 600557034 /nfs/dbraw/zinc/55/70/34/600557034.db2.gz ZIAUKMLDOBWVCI-UHFFFAOYSA-N -1 0 347.440 3.748 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)C(c1ccccc1)c1ccccc1 ZINC000736463578 600560919 /nfs/dbraw/zinc/56/09/19/600560919.db2.gz QUQMBTGSYSCPBF-UHFFFAOYSA-N -1 0 325.408 3.530 20 0 EHADRM Cc1cc(NC(=O)N2CCCC[C@H]2Cc2ccccc2)c(C(=O)[O-])[nH]1 ZINC000738437811 600569127 /nfs/dbraw/zinc/56/91/27/600569127.db2.gz RCUKEKJHMRAKQE-HNNXBMFYSA-N -1 0 341.411 3.650 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)C2(c3cccc(F)c3)CC2)c1 ZINC000740137280 600569578 /nfs/dbraw/zinc/56/95/78/600569578.db2.gz VRDYYQNNNRLFLW-UHFFFAOYSA-N -1 0 333.746 3.848 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N[C@H]1CCSc2ccccc21 ZINC000740048163 600571246 /nfs/dbraw/zinc/57/12/46/600571246.db2.gz ZDNSLVMOPZXTRX-AWEZNQCLSA-N -1 0 328.393 3.743 20 0 EHADRM CCN(Cc1c(F)cccc1F)C(=O)c1ccccc1NC(=O)[O-] ZINC000737101574 600576437 /nfs/dbraw/zinc/57/64/37/600576437.db2.gz DCKQIQYAZWLESW-UHFFFAOYSA-N -1 0 334.322 3.717 20 0 EHADRM CC(C)[C@H](S[C@@H](C)CC(=O)[O-])C(=O)N1CCCc2ccccc21 ZINC000736549045 600583608 /nfs/dbraw/zinc/58/36/08/600583608.db2.gz GZLGWMWCFZPMBH-GUYCJALGSA-N -1 0 335.469 3.587 20 0 EHADRM Cc1cc(/C=C\C(=O)N(C)C[C@H](C)C(=O)[O-])c(C)n1C1CCCCC1 ZINC000738380178 600594476 /nfs/dbraw/zinc/59/44/76/600594476.db2.gz XZNCTFHLFQTBBL-BMSUMIBZSA-N -1 0 346.471 3.802 20 0 EHADRM CC(C)c1ccc(C2(C(=O)N(C)C[C@@H](C)C(=O)[O-])CCCC2)cc1 ZINC000736572003 600595270 /nfs/dbraw/zinc/59/52/70/600595270.db2.gz WEPHSBDKYUQGTD-OAHLLOKOSA-N -1 0 331.456 3.801 20 0 EHADRM C[C@H](CS[C@@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1)C(=O)[O-] ZINC000736614511 600597388 /nfs/dbraw/zinc/59/73/88/600597388.db2.gz DGIWOGDQWIHXCR-RDBSUJKOSA-N -1 0 345.464 3.859 20 0 EHADRM CCc1cc2oc(=O)cc(CSC[C@H](C)C(=O)[O-])c2cc1Cl ZINC000737252669 600600001 /nfs/dbraw/zinc/60/00/01/600600001.db2.gz OOPDBHKQLIWNFE-VIFPVBQESA-N -1 0 340.828 3.963 20 0 EHADRM CN(C(=O)/C=C\c1ccc2ccccc2n1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737315567 600602806 /nfs/dbraw/zinc/60/28/06/600602806.db2.gz WOQZYGDFVGSHGJ-ODLZTCLXSA-N -1 0 346.386 3.532 20 0 EHADRM CCC/C=C\C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000736972788 600604118 /nfs/dbraw/zinc/60/41/18/600604118.db2.gz GLIMKVZBBQQLFB-WMTBXTEMSA-N -1 0 325.408 3.556 20 0 EHADRM CCCCCC(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000236832718 600604498 /nfs/dbraw/zinc/60/44/98/600604498.db2.gz RXPGBDOUVZMHHD-SFHVURJKSA-N -1 0 327.424 3.780 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC000237318281 600616611 /nfs/dbraw/zinc/61/66/11/600616611.db2.gz KKRCEHKFOGQQTL-FVMDXXJSSA-N -1 0 344.238 3.542 20 0 EHADRM C[C@H]1CCCC[C@H]1OCC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000736784843 600623517 /nfs/dbraw/zinc/62/35/17/600623517.db2.gz LNQXHDLSADBGRM-IINYFYTJSA-N -1 0 325.792 3.572 20 0 EHADRM CC(C)COc1ncccc1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000736449386 600624656 /nfs/dbraw/zinc/62/46/56/600624656.db2.gz LBOGQCNTBLZMAZ-UHFFFAOYSA-N -1 0 348.786 3.720 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)[O-] ZINC000236945981 600624864 /nfs/dbraw/zinc/62/48/64/600624864.db2.gz HYKKUUTUNCPBIF-SGTLLEGYSA-N -1 0 347.386 3.634 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1ccc(C(=O)[O-])c(C)c1)c1nccs1 ZINC000736861359 600625452 /nfs/dbraw/zinc/62/54/52/600625452.db2.gz KWAKPTPKRKQKMA-MRXNPFEDSA-N -1 0 333.413 3.597 20 0 EHADRM COc1cc(CC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)ccc1C ZINC000322353527 600625481 /nfs/dbraw/zinc/62/54/81/600625481.db2.gz AEMBLDCGTNFXKP-UHFFFAOYSA-N -1 0 333.771 3.536 20 0 EHADRM Cc1c(Cl)c(C(=O)[O-])nn1CN1CCC[C@](C)(c2ccccc2)C1 ZINC000738287252 600636960 /nfs/dbraw/zinc/63/69/60/600636960.db2.gz DWPBWNROJLQBKS-SFHVURJKSA-N -1 0 347.846 3.554 20 0 EHADRM CC(C)c1cnc(COc2ccc(Br)cc2C(=O)[O-])o1 ZINC000700780263 600638980 /nfs/dbraw/zinc/63/89/80/600638980.db2.gz NHPPHXZANNGCJM-UHFFFAOYSA-N -1 0 340.173 3.838 20 0 EHADRM Cc1cc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(C(=O)[O-])s1 ZINC000316148923 600639719 /nfs/dbraw/zinc/63/97/19/600639719.db2.gz QKDSXWUOYYQQQF-UHFFFAOYSA-N -1 0 343.763 3.565 20 0 EHADRM Cc1c(F)cccc1-c1ccc(CNCc2ccc(C(=O)[O-])o2)o1 ZINC000738291386 600639790 /nfs/dbraw/zinc/63/97/90/600639790.db2.gz RDDMDIUXVAGVIC-UHFFFAOYSA-N -1 0 329.327 3.975 20 0 EHADRM C[C@@H]1CCc2[nH]c3ccc(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)cc3c2C1 ZINC000736802712 600642441 /nfs/dbraw/zinc/64/24/41/600642441.db2.gz PXYOBAJKINBFMV-DIFFPNOSSA-N -1 0 342.439 3.522 20 0 EHADRM CCN(C(=O)[C@H](C)c1cccc(OC)c1)c1ccccc1C(=O)[O-] ZINC000737049112 600646816 /nfs/dbraw/zinc/64/68/16/600646816.db2.gz BZUDWPMQIATCRR-CYBMUJFWSA-N -1 0 327.380 3.550 20 0 EHADRM C[C@H]1CCC[C@@H](CCNC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)C1 ZINC000326172303 600647565 /nfs/dbraw/zinc/64/75/65/600647565.db2.gz OEOBMNLALCAZPF-KBPBESRZSA-N -1 0 330.428 3.626 20 0 EHADRM CCN(C(=O)[C@H]1C[C@H]1c1c(F)cccc1F)c1ccccc1C(=O)[O-] ZINC000737053730 600647603 /nfs/dbraw/zinc/64/76/03/600647603.db2.gz WQZZXCFPCMNJEX-OLZOCXBDSA-N -1 0 345.345 3.820 20 0 EHADRM Cc1cc(OS(=O)(=O)c2ccc3ccccc3c2)c(C(=O)[O-])s1 ZINC000738473863 600651953 /nfs/dbraw/zinc/65/19/53/600651953.db2.gz BIRAKMLYOZVSPM-UHFFFAOYSA-N -1 0 348.401 3.676 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)ccc2o1 ZINC000179964775 600655103 /nfs/dbraw/zinc/65/51/03/600655103.db2.gz FQWLTUDSPUZBQR-RYUDHWBXSA-N -1 0 344.411 3.955 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)C2CC2)o1 ZINC000245767865 600656166 /nfs/dbraw/zinc/65/61/66/600656166.db2.gz WSHPMOLJZNHXLJ-WBOJAVRRSA-N -1 0 345.439 3.785 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)Cc2c[nH]c3ccc(Cl)cc23)c1 ZINC000739889317 600658233 /nfs/dbraw/zinc/65/82/33/600658233.db2.gz RIGPAMWMJQNQHY-UHFFFAOYSA-N -1 0 343.766 3.597 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000108655941 600661186 /nfs/dbraw/zinc/66/11/86/600661186.db2.gz GXAWPSKZYCAENZ-BDAKNGLRSA-N -1 0 333.281 3.674 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000245711786 600661797 /nfs/dbraw/zinc/66/17/97/600661797.db2.gz NIYGJPMCRCTECW-OWCLPIDISA-N -1 0 331.456 3.750 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1C ZINC000374855412 600661799 /nfs/dbraw/zinc/66/17/99/600661799.db2.gz NUZGJAZBQWXYTK-BZSNNMDCSA-N -1 0 329.440 3.858 20 0 EHADRM CCOc1ccc2nc(NC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)sc2c1 ZINC000391545607 600665037 /nfs/dbraw/zinc/66/50/37/600665037.db2.gz DGPJFOSICOAGSV-MNOVXSKESA-N -1 0 348.424 3.525 20 0 EHADRM CCCCC[C@H](O)CC(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000736985715 600666759 /nfs/dbraw/zinc/66/67/59/600666759.db2.gz ZKTDJNGUZJRIKK-HNNXBMFYSA-N -1 0 329.396 3.808 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000736562984 600671600 /nfs/dbraw/zinc/67/16/00/600671600.db2.gz ULAZRBIMTUTNSL-KSSFIOAISA-N -1 0 343.398 3.679 20 0 EHADRM CN(Cc1nc2ccccc2n1C(F)F)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737496869 600672388 /nfs/dbraw/zinc/67/23/88/600672388.db2.gz PQGSOEQTMDLZJD-MRXNPFEDSA-N -1 0 345.349 3.689 20 0 EHADRM Cc1ccc(-c2nc(CN(C)[C@H](C(=O)[O-])c3ccccc3)co2)cc1 ZINC000738490553 600672941 /nfs/dbraw/zinc/67/29/41/600672941.db2.gz NHLHSZHZIBKWHP-SFHVURJKSA-N -1 0 336.391 3.908 20 0 EHADRM O=C([O-])c1ccc(F)c(NCc2csc(Br)c2)c1 ZINC000037089010 600675669 /nfs/dbraw/zinc/67/56/69/600675669.db2.gz CPISMURMADFGPS-UHFFFAOYSA-N -1 0 330.178 3.960 20 0 EHADRM Cc1sc(NC(=O)CNc2cccc(NC(=O)[O-])c2)c(C)c1C ZINC000738998052 600677220 /nfs/dbraw/zinc/67/72/20/600677220.db2.gz VZPLMJDBCIZQOP-UHFFFAOYSA-N -1 0 333.413 3.814 20 0 EHADRM O=C([O-])c1cccc(-c2noc(-c3ccccc3Br)n2)c1 ZINC000041722348 600695239 /nfs/dbraw/zinc/69/52/39/600695239.db2.gz FIYSEQYMUJZDLN-UHFFFAOYSA-N -1 0 345.152 3.864 20 0 EHADRM C[C@H](Oc1ccc(F)c(F)c1)c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000827890037 600695254 /nfs/dbraw/zinc/69/52/54/600695254.db2.gz KTGOORKPIQKMRP-VIFPVBQESA-N -1 0 346.289 3.853 20 0 EHADRM CC(C)[C@H](OC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000826717261 600703688 /nfs/dbraw/zinc/70/36/88/600703688.db2.gz PMOSBBTWPWYWAX-AGIUHOORSA-N -1 0 331.195 3.749 20 0 EHADRM Cc1c(Br)cccc1C(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC000832849296 600715758 /nfs/dbraw/zinc/71/57/58/600715758.db2.gz BPPAJLDSHBLZGV-CQSZACIVSA-N -1 0 349.180 3.740 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC000827428051 600721487 /nfs/dbraw/zinc/72/14/87/600721487.db2.gz QLSDMHLMYVGFPH-SUMWQHHRSA-N -1 0 330.355 3.764 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000827427354 600721601 /nfs/dbraw/zinc/72/16/01/600721601.db2.gz GORAVLAZLNQPMB-RYUDHWBXSA-N -1 0 334.343 3.990 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)[C@H](C)CCc1ccccc1F ZINC000833025406 600722389 /nfs/dbraw/zinc/72/23/89/600722389.db2.gz JYDRPGVDJKNJHI-LLVKDONJSA-N -1 0 334.343 3.737 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@@H]2SCCc3sccc32)cc1 ZINC000833315961 600727450 /nfs/dbraw/zinc/72/74/50/600727450.db2.gz MRGVCGOGJWHHQX-CQSZACIVSA-N -1 0 334.418 3.520 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2ccccc2Oc2ccccn2)cc1 ZINC000740133558 600735238 /nfs/dbraw/zinc/73/52/38/600735238.db2.gz LSTOOJYPPDTNCW-UHFFFAOYSA-N -1 0 349.342 3.929 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)CCc1c[nH]c2cc(C)ccc12 ZINC000832960298 600740929 /nfs/dbraw/zinc/74/09/29/600740929.db2.gz OZVUGEFNMDNMLQ-UHFFFAOYSA-N -1 0 341.363 3.752 20 0 EHADRM CC[C@@H]1CCC[C@H](NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC000736939754 600745678 /nfs/dbraw/zinc/74/56/78/600745678.db2.gz FISCBGPAFULPSF-HIFRSBDPSA-N -1 0 334.416 3.630 20 0 EHADRM O=C([O-])[C@H](Nc1ccc(Br)c(F)c1)c1ccc(F)cc1 ZINC000833169136 600755632 /nfs/dbraw/zinc/75/56/32/600755632.db2.gz GLTRWUPKEDYYAX-CYBMUJFWSA-N -1 0 342.139 3.965 20 0 EHADRM CSc1ccc(F)cc1CNC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000832780723 600762911 /nfs/dbraw/zinc/76/29/11/600762911.db2.gz APHLRTPAMNJSEQ-UHFFFAOYSA-N -1 0 334.372 3.568 20 0 EHADRM CCC[C@H](CCc1ccccc1)NC(=O)NCc1ccc(C(=O)[O-])o1 ZINC000829223087 600771461 /nfs/dbraw/zinc/77/14/61/600771461.db2.gz LALJTUAZLHCHNE-OAHLLOKOSA-N -1 0 344.411 3.579 20 0 EHADRM CCN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000511120574 600775035 /nfs/dbraw/zinc/77/50/35/600775035.db2.gz CAOAPNCPKXXFDH-UHFFFAOYSA-N -1 0 347.436 3.525 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc2c(c1)CCC2)c1cccc(Cl)c1 ZINC000776672446 600800187 /nfs/dbraw/zinc/80/01/87/600800187.db2.gz GFYDXHGCOPUWDJ-KRWDZBQOSA-N -1 0 343.810 3.775 20 0 EHADRM COc1cc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)ccc1C ZINC000776674127 600801818 /nfs/dbraw/zinc/80/18/18/600801818.db2.gz PWLKVJBYJFUEJZ-HNNXBMFYSA-N -1 0 347.798 3.603 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OC(=O)[C@@H](C)CCOc1ccccc1 ZINC000832919247 600801925 /nfs/dbraw/zinc/80/19/25/600801925.db2.gz ZELGCYUTPZPKOC-AWEZNQCLSA-N -1 0 328.364 3.704 20 0 EHADRM O=C([O-])c1ccc(OC(=O)c2cccc3cnccc32)c(Cl)c1 ZINC000833321727 600802070 /nfs/dbraw/zinc/80/20/70/600802070.db2.gz KWUOQLIBPQKOAK-UHFFFAOYSA-N -1 0 327.723 3.806 20 0 EHADRM COc1ccc2cc([C@H](C)OC(=O)[C@@H](NC(=O)[O-])C(C)C)ccc2c1 ZINC000832504217 600802829 /nfs/dbraw/zinc/80/28/29/600802829.db2.gz INISAZXFJYLRPT-SJCJKPOMSA-N -1 0 345.395 3.745 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N3CC[C@H](CC(C)C)C3)c12 ZINC000833001743 600804134 /nfs/dbraw/zinc/80/41/34/600804134.db2.gz TWPYLEGNSZDPTC-GFCCVEGCSA-N -1 0 333.457 3.879 20 0 EHADRM Cc1cccc(CC(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000776675234 600805298 /nfs/dbraw/zinc/80/52/98/600805298.db2.gz QPASHTIJUVQQTR-INIZCTEOSA-N -1 0 331.799 3.523 20 0 EHADRM Cc1cccc2c(CC(=O)O[C@H](C)c3ccc(C(=O)[O-])o3)c[nH]c21 ZINC000738747782 600806502 /nfs/dbraw/zinc/80/65/02/600806502.db2.gz KJBFYLQKSMNUDM-LLVKDONJSA-N -1 0 327.336 3.614 20 0 EHADRM Cc1cccc([C@@H](C)CNC(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC000738694014 600810760 /nfs/dbraw/zinc/81/07/60/600810760.db2.gz XFPHIZJMUAHYLH-LBPRGKRZSA-N -1 0 330.359 3.758 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cc(F)ccc1F)c1cccc(Cl)c1 ZINC000740292360 600815719 /nfs/dbraw/zinc/81/57/19/600815719.db2.gz PZXDZKJXSIXVPG-CYBMUJFWSA-N -1 0 326.682 3.601 20 0 EHADRM CC/C(=C/C(=O)N1CCCC[C@@H]1CC(=O)[O-])c1cccc(Cl)c1 ZINC000828550213 600818122 /nfs/dbraw/zinc/81/81/22/600818122.db2.gz SSGTVYMFDHSRQY-DVFVSVACSA-N -1 0 335.831 3.989 20 0 EHADRM Cc1ccccc1O[C@H](C)CNc1nc(Cl)c(C(=O)[O-])s1 ZINC000832978743 600822183 /nfs/dbraw/zinc/82/21/83/600822183.db2.gz ABXDKMKXPGKMDZ-SECBINFHSA-N -1 0 326.805 3.683 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)C[C@@H](C)c1ccccc1C(F)(F)F ZINC000178074344 600831437 /nfs/dbraw/zinc/83/14/37/600831437.db2.gz PHGBBZVYWAYYMC-LLVKDONJSA-N -1 0 331.334 3.521 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CN1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000566363122 600832918 /nfs/dbraw/zinc/83/29/18/600832918.db2.gz GBLYGSCMMYGPTP-ACJLOTCBSA-N -1 0 329.396 3.557 20 0 EHADRM C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-])c1ccco1 ZINC000736215726 600833416 /nfs/dbraw/zinc/83/34/16/600833416.db2.gz MFDVOPDOMAEXLY-MRVPVSSYSA-N -1 0 327.258 3.739 20 0 EHADRM CN(Cc1ccccc1C(F)(F)F)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000179953186 600835198 /nfs/dbraw/zinc/83/51/98/600835198.db2.gz GVUNNUWHWSMKRU-NWDGAFQWSA-N -1 0 343.345 3.555 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)cc1 ZINC000737330831 600835932 /nfs/dbraw/zinc/83/59/32/600835932.db2.gz FWLXLAQDUJDYGD-ZIAGYGMSSA-N -1 0 346.333 3.821 20 0 EHADRM O=C([O-])[C@@H](Sc1n[nH]c(Cc2cccs2)n1)c1ccccc1F ZINC000833169633 600836767 /nfs/dbraw/zinc/83/67/67/600836767.db2.gz LHUVJOJAXMKTNE-ZDUSSCGKSA-N -1 0 349.412 3.514 20 0 EHADRM O=C([O-])[C@H](Sc1nc2cc(F)c(F)cc2[nH]1)c1ccccc1F ZINC000833169606 600837586 /nfs/dbraw/zinc/83/75/86/600837586.db2.gz KZEVBAKKGFEKRQ-CYBMUJFWSA-N -1 0 338.310 3.898 20 0 EHADRM Cc1cc(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)ccc1C(=O)[O-] ZINC000237822352 600839000 /nfs/dbraw/zinc/83/90/00/600839000.db2.gz OXMUKBBODWNWLM-KBPBESRZSA-N -1 0 331.318 3.714 20 0 EHADRM CC(C)C[C@@H]1CCN(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C1 ZINC000307830641 600844718 /nfs/dbraw/zinc/84/47/18/600844718.db2.gz PXVJHQSYYUKDKF-AWEZNQCLSA-N -1 0 332.444 3.949 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000736903069 600845283 /nfs/dbraw/zinc/84/52/83/600845283.db2.gz GGBSFUMBZDSTCZ-IAGOWNOFSA-N -1 0 337.419 3.860 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000767096291 600851528 /nfs/dbraw/zinc/85/15/28/600851528.db2.gz QRWHQILTYYXEDC-LLVKDONJSA-N -1 0 333.334 3.870 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000776630280 600851762 /nfs/dbraw/zinc/85/17/62/600851762.db2.gz FTYLPTMBTFXYHF-FFSVYQOJSA-N -1 0 337.391 3.836 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000738842081 600852228 /nfs/dbraw/zinc/85/22/28/600852228.db2.gz ZXAUKFKVYVEVLZ-GFCCVEGCSA-N -1 0 344.436 3.794 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000262273806 600853631 /nfs/dbraw/zinc/85/36/31/600853631.db2.gz IYTYTXFZEXECNC-XYPHTWIQSA-N -1 0 333.428 3.626 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000827423040 600854346 /nfs/dbraw/zinc/85/43/46/600854346.db2.gz WELCOPONDIMVRG-CQSZACIVSA-N -1 0 335.419 3.688 20 0 EHADRM Cc1ccc(CCC(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)c(C)c1 ZINC000738588418 600854439 /nfs/dbraw/zinc/85/44/39/600854439.db2.gz FMAJHSQQZVVNGO-KRWDZBQOSA-N -1 0 337.419 3.841 20 0 EHADRM COc1cc(Cl)ccc1C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000325228734 600854796 /nfs/dbraw/zinc/85/47/96/600854796.db2.gz RDPRMGJUJMUWNV-NSHDSACASA-N -1 0 345.782 3.567 20 0 EHADRM CC(C)(C)c1nc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cs1 ZINC000736298585 600856461 /nfs/dbraw/zinc/85/64/61/600856461.db2.gz BLKZMCAEPLQEDW-LLVKDONJSA-N -1 0 344.436 3.659 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)c2cc3occc3s2)c2ccccc21 ZINC000739647971 600859829 /nfs/dbraw/zinc/85/98/29/600859829.db2.gz XVIFQFZUUHGKGZ-JTQLQIEISA-N -1 0 327.361 3.713 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000262345484 600863064 /nfs/dbraw/zinc/86/30/64/600863064.db2.gz GRTKBVRCJOSDFT-WCZJQEMASA-N -1 0 347.430 3.639 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)c2ccc3ccccc3c2O)c2ccccc21 ZINC000739646277 600863659 /nfs/dbraw/zinc/86/36/59/600863659.db2.gz IZMBWWOFGUBPAW-AWEZNQCLSA-N -1 0 347.370 3.764 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)Cc2ccc3ccccc3c2)c2ccccc21 ZINC000739647986 600863688 /nfs/dbraw/zinc/86/36/88/600863688.db2.gz YGSKPEVUGISCLU-SFHVURJKSA-N -1 0 345.398 3.987 20 0 EHADRM CCc1oc2ccccc2c1CN(C)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000183970523 600873620 /nfs/dbraw/zinc/87/36/20/600873620.db2.gz KHQSLPUIBAYYLC-ZIAGYGMSSA-N -1 0 343.423 3.845 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2c[nH]nc2-c2ccccc2)ccc1F ZINC000833282073 600874833 /nfs/dbraw/zinc/87/48/33/600874833.db2.gz BPWIXCBNNSYFFL-UHFFFAOYSA-N -1 0 340.314 3.558 20 0 EHADRM COc1ccc(NC(=O)[C@H](C)CCc2ccccc2F)c(C(=O)[O-])c1 ZINC000832389090 600875496 /nfs/dbraw/zinc/87/54/96/600875496.db2.gz QAZBVIMEYYAHQH-GFCCVEGCSA-N -1 0 345.370 3.740 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)C[C@@H]2CCCC[C@@H]2C)c1OC ZINC000538505455 600877401 /nfs/dbraw/zinc/87/74/01/600877401.db2.gz VZZSNAKZLVEPSL-RYUDHWBXSA-N -1 0 335.400 3.557 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000262402499 600879673 /nfs/dbraw/zinc/87/96/73/600879673.db2.gz AHSXUGVSAVCBNQ-INIZCTEOSA-N -1 0 333.428 3.725 20 0 EHADRM C/C(=C\C(=O)N(CCC(=O)[O-])C(C)C)c1cccc(C(F)(F)F)c1 ZINC000766993246 600884289 /nfs/dbraw/zinc/88/42/89/600884289.db2.gz HIIQOWBBKPJQDI-FMIVXFBMSA-N -1 0 343.345 3.820 20 0 EHADRM O=C([O-])[C@H]1CC12CCN(C(=O)C1CCC(c3ccccc3)CC1)CC2 ZINC000262500858 600885455 /nfs/dbraw/zinc/88/54/55/600885455.db2.gz YLZTVYANVBORNC-DAWZGUTISA-N -1 0 341.451 3.674 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1Cl ZINC000179968597 600886388 /nfs/dbraw/zinc/88/63/88/600886388.db2.gz GNBCGBXBYJVXJD-NWDGAFQWSA-N -1 0 339.819 3.957 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000829009371 600887888 /nfs/dbraw/zinc/88/78/88/600887888.db2.gz CPAFVVUZQVMEMR-XYPHTWIQSA-N -1 0 348.443 3.767 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NCC2(c3ccccc3)CCCCC2)C1 ZINC000540924164 600888146 /nfs/dbraw/zinc/88/81/46/600888146.db2.gz GEWCMSIEQTZGRQ-DLBZAZTESA-N -1 0 343.467 3.896 20 0 EHADRM CC(C)[C@@H](C(=O)NCCc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000826677121 600891029 /nfs/dbraw/zinc/89/10/29/600891029.db2.gz PRXFNLMRWGYBON-GOSISDBHSA-N -1 0 340.423 3.875 20 0 EHADRM CCC(CC)[C@@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC000583230293 600899216 /nfs/dbraw/zinc/89/92/16/600899216.db2.gz RRJXXGJHOFOROL-QGZVFWFLSA-N -1 0 326.396 3.687 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCC[C@H]2c2ccccc2Cl)C1 ZINC000245773611 600899281 /nfs/dbraw/zinc/89/92/81/600899281.db2.gz XRAXPBBDGFSUNR-ZENOOKHLSA-N -1 0 335.831 3.895 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CSCc2cccc(Cl)c2)s1 ZINC000035424972 600900285 /nfs/dbraw/zinc/90/02/85/600900285.db2.gz TUVIVDWMZFFENQ-UHFFFAOYSA-N -1 0 341.841 3.972 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2csc(-c3ccc(F)cc3)n2)s1 ZINC000833157191 600904427 /nfs/dbraw/zinc/90/44/27/600904427.db2.gz JUCXMDGCCRGHNY-UHFFFAOYSA-N -1 0 348.380 3.961 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)c2csc3c2CCCC3)c2ccccc21 ZINC000325346690 600907980 /nfs/dbraw/zinc/90/79/80/600907980.db2.gz LRPGVTVRPQSGQK-LBPRGKRZSA-N -1 0 341.432 3.846 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N(Cc2ccccc2)CC2CCC2)C1 ZINC000179981465 600909730 /nfs/dbraw/zinc/90/97/30/600909730.db2.gz VSESBTNWEMGSFH-ZWKOTPCHSA-N -1 0 329.440 3.706 20 0 EHADRM COc1cccc(CN(CC(C)C)C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000630226075 600915144 /nfs/dbraw/zinc/91/51/44/600915144.db2.gz ACBCGPKTFIAVIA-DLBZAZTESA-N -1 0 347.455 3.571 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N[C@H](C(=O)[O-])c2ccccn2)cc1 ZINC000827118243 600915778 /nfs/dbraw/zinc/91/57/78/600915778.db2.gz OZZQFDSOYQGQQN-KUHUBIRLSA-N -1 0 340.423 3.641 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000738552435 600916903 /nfs/dbraw/zinc/91/69/03/600916903.db2.gz RYXHROLKMOOKGC-HZPDHXFCSA-N -1 0 349.471 3.749 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)C(=O)[O-] ZINC000486310335 600922379 /nfs/dbraw/zinc/92/23/79/600922379.db2.gz PXWOHYRJXLXOJT-CQSZACIVSA-N -1 0 342.439 3.523 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1ccc2c(c1)Cc1ccccc1-2)C(=O)[O-] ZINC000431512369 600923188 /nfs/dbraw/zinc/92/31/88/600923188.db2.gz FRELQTJZUBVWAK-QGZVFWFLSA-N -1 0 337.419 3.735 20 0 EHADRM CC(C)C[C@H](CNC(=O)CCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000486284446 600923935 /nfs/dbraw/zinc/92/39/35/600923935.db2.gz OOTWTHXEVPFWEZ-GFCCVEGCSA-N -1 0 346.254 3.789 20 0 EHADRM CC(C)C[C@@H](CNC(=O)CCCc1ccc(Cl)cc1)C(=O)[O-] ZINC000262520612 600925997 /nfs/dbraw/zinc/92/59/97/600925997.db2.gz QNGKZFMTCXGMPW-AWEZNQCLSA-N -1 0 325.836 3.526 20 0 EHADRM Cc1cc(NC(=O)C[C@@H](C)C(=O)c2cccc(F)c2)ccc1C(=O)[O-] ZINC000237432784 600929797 /nfs/dbraw/zinc/92/97/97/600929797.db2.gz ISJVVKVSPOFECC-GFCCVEGCSA-N -1 0 343.354 3.680 20 0 EHADRM Cc1cc(NC(=O)C[C@H](C)C(=O)c2cccc(F)c2)ccc1C(=O)[O-] ZINC000237567855 600929888 /nfs/dbraw/zinc/92/98/88/600929888.db2.gz ISJVVKVSPOFECC-LBPRGKRZSA-N -1 0 343.354 3.680 20 0 EHADRM CC[C@@H](Nc1ccccc1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000736923385 600933498 /nfs/dbraw/zinc/93/34/98/600933498.db2.gz GBWVXPKBFCPPMG-QGZVFWFLSA-N -1 0 340.423 3.878 20 0 EHADRM O=C([O-])c1cccc(COC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)c1 ZINC000833328937 600945081 /nfs/dbraw/zinc/94/50/81/600945081.db2.gz DRTJWZPZWLCZKW-DZGCQCFKSA-N -1 0 332.302 3.510 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000825942216 600945850 /nfs/dbraw/zinc/94/58/50/600945850.db2.gz MQNKRHRKXICEIC-JKSUJKDBSA-N -1 0 330.380 3.709 20 0 EHADRM Cc1nc(-c2cccc(C(=O)O[C@@H](CC(C)C)C(=O)[O-])c2)cs1 ZINC000832991555 600954870 /nfs/dbraw/zinc/95/48/70/600954870.db2.gz KZFLPDNEJVLLSD-HNNXBMFYSA-N -1 0 333.409 3.775 20 0 EHADRM Cc1ccc([C@@H]2CSCCN2C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000245686048 600956810 /nfs/dbraw/zinc/95/68/10/600956810.db2.gz JPBGEORKBWFGJL-ZACQAIPSSA-N -1 0 347.480 3.503 20 0 EHADRM O=C([O-])C[C@H]1CN(Cc2cccc(OC(F)F)c2)c2ccccc21 ZINC000739653638 600959468 /nfs/dbraw/zinc/95/94/68/600959468.db2.gz MOWLMSWFVIHCAQ-ZDUSSCGKSA-N -1 0 333.334 3.867 20 0 EHADRM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2ccc(C(=O)[O-])s2)o1 ZINC000237531055 600962095 /nfs/dbraw/zinc/96/20/95/600962095.db2.gz UDEJXOZTJITCPW-ZYHUDNBSSA-N -1 0 333.409 3.961 20 0 EHADRM O=C([O-])C[C@H]1CN(Cc2csc(-c3ccoc3)n2)c2ccccc21 ZINC000739654367 600966690 /nfs/dbraw/zinc/96/66/90/600966690.db2.gz SXKHSAIUCMXGDN-ZDUSSCGKSA-N -1 0 340.404 3.982 20 0 EHADRM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccc(C(=O)[O-])cn2)o1 ZINC000190664364 600967198 /nfs/dbraw/zinc/96/71/98/600967198.db2.gz ZVIJSHBFRBFOHQ-WBMJQRKESA-N -1 0 342.395 3.549 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000833338893 600971111 /nfs/dbraw/zinc/97/11/11/600971111.db2.gz PZYWYIBFINCXST-KSSFIOAISA-N -1 0 327.405 3.679 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1sccc1C(=O)[O-] ZINC000829009734 600971527 /nfs/dbraw/zinc/97/15/27/600971527.db2.gz NLAPEELUKMUTFS-MDZLAQPJSA-N -1 0 325.430 3.759 20 0 EHADRM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)C1 ZINC000249388663 600972197 /nfs/dbraw/zinc/97/21/97/600972197.db2.gz BMLSBGPZGHFTPX-VWNJHIHFSA-N -1 0 333.403 3.626 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000829009354 600972506 /nfs/dbraw/zinc/97/25/06/600972506.db2.gz BZYOPKGEDICECU-HUBLWGQQSA-N -1 0 337.391 3.836 20 0 EHADRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)c1cccs1 ZINC000832848009 600979488 /nfs/dbraw/zinc/97/94/88/600979488.db2.gz ITHPWELAYPPPDK-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM O=C([O-])c1cccc(-c2nc(CSC3=NCCS3)cs2)c1 ZINC000740212837 600983655 /nfs/dbraw/zinc/98/36/55/600983655.db2.gz SGTIANVMUAABIQ-UHFFFAOYSA-N -1 0 336.463 3.844 20 0 EHADRM CN(Cc1cscn1)[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000830869994 600992268 /nfs/dbraw/zinc/99/22/68/600992268.db2.gz XNCTVLHEACQLQQ-GFCCVEGCSA-N -1 0 331.224 3.708 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)Nc1ccc2ccccc2c1)c1ccccc1 ZINC000393088670 600994671 /nfs/dbraw/zinc/99/46/71/600994671.db2.gz KKGFMRAXNGVHTF-SFHVURJKSA-N -1 0 334.375 3.830 20 0 EHADRM Cc1ccc(Br)cc1C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC000738501346 600995268 /nfs/dbraw/zinc/99/52/68/600995268.db2.gz MIJNSKYKWVOIDO-UHFFFAOYSA-N -1 0 349.180 3.604 20 0 EHADRM O=C([O-])[C@H](NCc1coc(-c2ccccc2)n1)c1cc(F)ccc1F ZINC000683173272 600998503 /nfs/dbraw/zinc/99/85/03/600998503.db2.gz JTOOLPCWDHJYIS-MRXNPFEDSA-N -1 0 344.317 3.535 20 0 EHADRM C[C@H](C(=O)N(CC(=O)[O-])Cc1ccccc1)c1cccc(Cl)c1 ZINC000346026336 601003837 /nfs/dbraw/zinc/00/38/37/601003837.db2.gz MELKCJHXNOCGEU-ZDUSSCGKSA-N -1 0 331.799 3.557 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000539572317 601004798 /nfs/dbraw/zinc/00/47/98/601004798.db2.gz WNEMXAZYLMYJER-LBPRGKRZSA-N -1 0 347.798 3.854 20 0 EHADRM COc1ccc2sc(C(=O)N(C[C@H](C)C(=O)[O-])C3CC3)c(C)c2c1 ZINC000237324558 601006603 /nfs/dbraw/zinc/00/66/03/601006603.db2.gz OVXLSBRMCRMJKO-JTQLQIEISA-N -1 0 347.436 3.544 20 0 EHADRM C[C@@H](CNC(=O)Nc1cccc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC000827493727 601008860 /nfs/dbraw/zinc/00/88/60/601008860.db2.gz YMTABHJZOAYYTC-JTQLQIEISA-N -1 0 334.322 3.588 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2CCSc3ccccc32)c(F)c1 ZINC000343096337 601009484 /nfs/dbraw/zinc/00/94/84/601009484.db2.gz DBXXLCSNODVJMZ-LBPRGKRZSA-N -1 0 331.368 3.742 20 0 EHADRM CN(C(=O)C[C@@H](Cc1ccccc1)c1ccccc1)C(C)(C)C(=O)[O-] ZINC000362341102 601009680 /nfs/dbraw/zinc/00/96/80/601009680.db2.gz VGSPIZQTRWMEMY-GOSISDBHSA-N -1 0 339.435 3.725 20 0 EHADRM C[C@H](C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c1c(Cl)cccc1Cl ZINC000736213392 601013269 /nfs/dbraw/zinc/01/32/69/601013269.db2.gz ZPCPHJQJNJCDLN-UFBFGSQYSA-N -1 0 332.227 3.712 20 0 EHADRM CC/C(=C\C(=O)N(CC(=O)[O-])c1cccc(C)n1)c1ccc(C)cc1 ZINC000736833315 601015825 /nfs/dbraw/zinc/01/58/25/601015825.db2.gz BJOHBGJVLGTSCA-FOWTUZBSSA-N -1 0 338.407 3.610 20 0 EHADRM CC(C)COc1cccc(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])c1 ZINC000826905100 601021582 /nfs/dbraw/zinc/02/15/82/601021582.db2.gz BISGPNYKJPSSNO-AWEZNQCLSA-N -1 0 336.432 3.590 20 0 EHADRM CC(C)(C)[C@H](NC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000675987052 601024741 /nfs/dbraw/zinc/02/47/41/601024741.db2.gz QQJDESNDZUDAQF-JHJVBQTASA-N -1 0 344.238 3.712 20 0 EHADRM CC[C@H](Cc1ccccc1)N(C)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000262359602 601030732 /nfs/dbraw/zinc/03/07/32/601030732.db2.gz CXEKUBXRHRTRPR-LJQANCHMSA-N -1 0 339.435 3.797 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CCC[C@H]2CCC[C@H]21)C(=O)[O-] ZINC000736711565 601031786 /nfs/dbraw/zinc/03/17/86/601031786.db2.gz COSIEHNEGGDNPJ-GZBFAFLISA-N -1 0 333.453 3.657 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CCC[C@H]2CCC[C@@H]21)C(=O)[O-] ZINC000736711563 601031881 /nfs/dbraw/zinc/03/18/81/601031881.db2.gz COSIEHNEGGDNPJ-GUTXKFCHSA-N -1 0 333.453 3.657 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Nc2cccc(F)c2F)cc1 ZINC000325333381 601032231 /nfs/dbraw/zinc/03/22/31/601032231.db2.gz BCFSNSJBXVVWQT-UHFFFAOYSA-N -1 0 334.322 3.971 20 0 EHADRM C[C@@H]1C[C@H]1[C@@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000736766928 601034149 /nfs/dbraw/zinc/03/41/49/601034149.db2.gz WYEMOMWHDAPHOH-HQQWDMGQSA-N -1 0 344.798 3.560 20 0 EHADRM O=C([O-])[C@H](CNC(=O)Nc1cccc(C(F)F)c1)c1ccccc1 ZINC000386237885 601035907 /nfs/dbraw/zinc/03/59/07/601035907.db2.gz OAAQZMNMSFNTNN-CQSZACIVSA-N -1 0 334.322 3.614 20 0 EHADRM Cc1cccc(F)c1CNC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000832969646 601037835 /nfs/dbraw/zinc/03/78/35/601037835.db2.gz NHVXGIWTJCSSQM-UHFFFAOYSA-N -1 0 335.310 3.685 20 0 EHADRM O=C([O-])c1cnc(N(C(=O)[C@@H]2C[C@H]2C2CCCCC2)C2CC2)s1 ZINC000740252784 601040663 /nfs/dbraw/zinc/04/06/63/601040663.db2.gz FXAMHURDRLCGDO-QWHCGFSZSA-N -1 0 334.441 3.553 20 0 EHADRM Cc1ccc(C(C)(C)CN(C)C(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000439812470 601043108 /nfs/dbraw/zinc/04/31/08/601043108.db2.gz PKGOKUBOUHHCCB-UHFFFAOYSA-N -1 0 325.408 3.743 20 0 EHADRM CN(Cc1ccc(NC(=O)N2CCCC(C)(C)CC2)cc1)C(=O)[O-] ZINC000830835795 601050511 /nfs/dbraw/zinc/05/05/11/601050511.db2.gz LNFZPYQJHCUQRP-UHFFFAOYSA-N -1 0 333.432 3.840 20 0 EHADRM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000828121004 601055436 /nfs/dbraw/zinc/05/54/36/601055436.db2.gz ATHGNOUYNRPMDO-QAPCUYQASA-N -1 0 344.798 3.890 20 0 EHADRM Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000362779040 601063392 /nfs/dbraw/zinc/06/33/92/601063392.db2.gz CHWIOFPTFLSVNN-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000322905257 601063829 /nfs/dbraw/zinc/06/38/29/601063829.db2.gz FHZKFCJRBBVFOP-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000237190436 601064066 /nfs/dbraw/zinc/06/40/66/601064066.db2.gz XUQHWEMURNKOPO-ZDUSSCGKSA-N -1 0 327.380 3.834 20 0 EHADRM CO[C@H](CNC(=O)c1ccccc1NC(=O)[O-])c1ccc(Cl)cc1 ZINC000737733195 601064394 /nfs/dbraw/zinc/06/43/94/601064394.db2.gz JTCSEDBBZUOLJB-OAHLLOKOSA-N -1 0 348.786 3.547 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1F ZINC000833350719 601064482 /nfs/dbraw/zinc/06/44/82/601064482.db2.gz GOQNQYKKTNCZDW-ZDUSSCGKSA-N -1 0 342.244 3.827 20 0 EHADRM C/C=C/C=C/C(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000828541382 601064499 /nfs/dbraw/zinc/06/44/99/601064499.db2.gz FJJAYZITBPIUPQ-CRBCFSCISA-N -1 0 329.377 3.684 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccccc1C(F)(F)F)c1ccc(F)cc1 ZINC000833350037 601064506 /nfs/dbraw/zinc/06/45/06/601064506.db2.gz ICFKHHSBWHIZNK-CYBMUJFWSA-N -1 0 342.244 3.827 20 0 EHADRM O=C([O-])[C@@H](OC(=O)/C=C/c1ccc(Cl)cc1)c1ccccc1F ZINC000833095246 601065062 /nfs/dbraw/zinc/06/50/62/601065062.db2.gz QAOOVQNBBHBQOC-JCVNQNCUSA-N -1 0 334.730 3.861 20 0 EHADRM CCC(C)(C)CC(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000828608608 601068022 /nfs/dbraw/zinc/06/80/22/601068022.db2.gz FGQXMTZZPMDENU-UHFFFAOYSA-N -1 0 327.371 3.594 20 0 EHADRM CCSCc1cccc(NC(=O)NCc2ccc(C(=O)[O-])o2)c1 ZINC000830169344 601073961 /nfs/dbraw/zinc/07/39/61/601073961.db2.gz SPVKYRFPVLRETE-UHFFFAOYSA-N -1 0 334.397 3.553 20 0 EHADRM C[C@@H](CC(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1)n1cccc1 ZINC000827240779 601078439 /nfs/dbraw/zinc/07/84/39/601078439.db2.gz NVDHVWXGCKCJLX-JTQLQIEISA-N -1 0 335.429 3.530 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccc2cc(O)ccc2c1)c1ccccc1F ZINC000833352497 601079053 /nfs/dbraw/zinc/07/90/53/601079053.db2.gz XPELLNPYQZHFBY-KRWDZBQOSA-N -1 0 340.306 3.667 20 0 EHADRM CCSCc1ccc(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000262557612 601079631 /nfs/dbraw/zinc/07/96/31/601079631.db2.gz YRSATUVKWWTBMK-KRWDZBQOSA-N -1 0 343.448 3.538 20 0 EHADRM CSCc1cc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)ccc1F ZINC000237379535 601080077 /nfs/dbraw/zinc/08/00/77/601080077.db2.gz FAASTWWUJURTSN-UHFFFAOYSA-N -1 0 347.411 3.659 20 0 EHADRM CSCc1cc(C(=O)Nc2ccc(CNC(=O)[O-])cc2)ccc1F ZINC000832766972 601084043 /nfs/dbraw/zinc/08/40/43/601084043.db2.gz WBMNBSVXLGFDHA-UHFFFAOYSA-N -1 0 348.399 3.709 20 0 EHADRM CCCc1c(C(=O)N[C@@H](C)CCc2ccc(C)o2)[nH]c(C)c1C(=O)[O-] ZINC000737041039 601086623 /nfs/dbraw/zinc/08/66/23/601086623.db2.gz KWJDJCYHUVZSKD-NSHDSACASA-N -1 0 346.427 3.626 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)c1cc2ccccc2o1 ZINC000833180431 601091776 /nfs/dbraw/zinc/09/17/76/601091776.db2.gz VLHWIYBIQGYLOC-HOTGVXAUSA-N -1 0 341.407 3.928 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1ccccc1CC(F)(F)F)C(=O)[O-] ZINC000424382594 601097744 /nfs/dbraw/zinc/09/77/44/601097744.db2.gz OFRVNCWUSCCCFK-LBPRGKRZSA-N -1 0 346.349 3.660 20 0 EHADRM Cn1ccc2ccc(NC(=O)Nc3ccc(CNC(=O)[O-])cc3)cc21 ZINC000833055086 601098719 /nfs/dbraw/zinc/09/87/19/601098719.db2.gz BOKWPIQHQSOQMS-UHFFFAOYSA-N -1 0 338.367 3.590 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])s2)[C@@H]1c1cccc(F)c1 ZINC000237375616 601107897 /nfs/dbraw/zinc/10/78/97/601107897.db2.gz MEAJRPXVTOJGAZ-BMIGLBTASA-N -1 0 333.384 3.809 20 0 EHADRM Cc1cccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1Cl ZINC000237691753 601108042 /nfs/dbraw/zinc/10/80/42/601108042.db2.gz WYOQLIBDHIFJNK-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)[C@@H](CC(C)C)NC(=O)[O-])cc1 ZINC000826861237 601111466 /nfs/dbraw/zinc/11/14/66/601111466.db2.gz RPBXNEBXIFSWOI-MRXNPFEDSA-N -1 0 336.432 3.732 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)NCCc2ccc(Cl)cc2Cl)C1 ZINC000108654879 601125648 /nfs/dbraw/zinc/12/56/48/601125648.db2.gz OODMHAPIJHSNFU-RYUDHWBXSA-N -1 0 344.238 3.543 20 0 EHADRM CC[C@@H](Oc1ccccc1F)C(=O)Nc1cc(C)c(C(=O)[O-])s1 ZINC000829020439 601126631 /nfs/dbraw/zinc/12/66/31/601126631.db2.gz FNPPROZIQBJPBI-LLVKDONJSA-N -1 0 337.372 3.690 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)N2C[C@@H]3CCCC[C@H]3C2)c1 ZINC000833262288 601129116 /nfs/dbraw/zinc/12/91/16/601129116.db2.gz BVYTUVVQIVSRDS-GJZGRUSLSA-N -1 0 348.468 3.658 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cccc(CSCC(=O)[O-])c2)C(C)(C)C1 ZINC000828377127 601132853 /nfs/dbraw/zinc/13/28/53/601132853.db2.gz HKMXYYDOUMPSGW-LBPRGKRZSA-N -1 0 336.457 3.657 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2ccc(Oc3ccccc3)o2)cc1 ZINC000347121974 601134875 /nfs/dbraw/zinc/13/48/75/601134875.db2.gz ZVRKYVHMVDGNPV-UHFFFAOYSA-N -1 0 337.331 3.951 20 0 EHADRM CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000829721957 601143908 /nfs/dbraw/zinc/14/39/08/601143908.db2.gz BMJCQALGCIZHEC-UHFFFAOYSA-N -1 0 342.395 3.756 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c(Br)c1 ZINC000111470536 601145269 /nfs/dbraw/zinc/14/52/69/601145269.db2.gz ZYUOOXJAESOPDD-GHMZBOCLSA-N -1 0 340.217 3.587 20 0 EHADRM C[C@H]1CCN(C(=O)NCCCCCC(=O)[O-])[C@@H]1c1cccc(F)c1 ZINC000414620087 601148051 /nfs/dbraw/zinc/14/80/51/601148051.db2.gz CIIYRVSWLGESRW-GUYCJALGSA-N -1 0 336.407 3.563 20 0 EHADRM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)NCCCCCCC(=O)[O-] ZINC000828151263 601148541 /nfs/dbraw/zinc/14/85/41/601148541.db2.gz TUTMOJPULHEELW-FUHWJXTLSA-N -1 0 346.471 3.684 20 0 EHADRM CCCCCn1nc(C)cc1NC(=O)c1[nH]c(CC)c(C(=O)[O-])c1C ZINC000829373245 601149106 /nfs/dbraw/zinc/14/91/06/601149106.db2.gz NHWAZSKLGIZBJS-UHFFFAOYSA-N -1 0 346.431 3.531 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2nc3cc(Cl)ccc3s2)C1 ZINC000833185384 601149162 /nfs/dbraw/zinc/14/91/62/601149162.db2.gz HADKVKCHDHFRDK-RKDXNWHRSA-N -1 0 338.816 3.779 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)c1ccc(Oc2ccccc2)o1 ZINC000679400648 601151639 /nfs/dbraw/zinc/15/16/39/601151639.db2.gz PYTOKHHUAWHVLG-ZDUSSCGKSA-N -1 0 329.352 3.541 20 0 EHADRM CCc1nc(C)c([C@H](C)OC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)s1 ZINC000830309911 601158822 /nfs/dbraw/zinc/15/88/22/601158822.db2.gz RVDQHLOZHZUKNC-TUAOUCFPSA-N -1 0 325.430 3.509 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000776629822 601162903 /nfs/dbraw/zinc/16/29/03/601162903.db2.gz IDYSZBKRJXHERY-BDANVTMASA-N -1 0 341.382 3.807 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1cc2cccc(F)c2o1)c1ccccc1 ZINC000675998714 601165576 /nfs/dbraw/zinc/16/55/76/601165576.db2.gz IQXXGIKFDQKUOE-ZBEGNZNMSA-N -1 0 341.338 3.764 20 0 EHADRM CSCc1ccc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000237387360 601166963 /nfs/dbraw/zinc/16/69/63/601166963.db2.gz JMDDANUGDLIANP-CXAGYDPISA-N -1 0 343.448 3.741 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)/C=C/Sc1ccccc1)c1ccccc1 ZINC000826027035 601167305 /nfs/dbraw/zinc/16/73/05/601167305.db2.gz TZQJTVRSWVRMBR-VRSLPICJSA-N -1 0 341.432 3.871 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCSC3(CCCCC3)C2)cc1 ZINC000833282466 601168827 /nfs/dbraw/zinc/16/88/27/601168827.db2.gz ARXAPTPTWKNUDF-UHFFFAOYSA-N -1 0 334.441 3.668 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000119916151 601168848 /nfs/dbraw/zinc/16/88/48/601168848.db2.gz FUEVATXGNINIFX-HBUWYVDXSA-N -1 0 343.398 3.583 20 0 EHADRM COc1ccc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c(Cl)c1 ZINC000832169719 601169898 /nfs/dbraw/zinc/16/98/98/601169898.db2.gz DVCQPBAXSJOICJ-ZBEGNZNMSA-N -1 0 347.798 3.540 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)Cc1cc2ccccc2o1)c1ccccc1 ZINC000826031511 601170500 /nfs/dbraw/zinc/17/05/00/601170500.db2.gz OXUVBNOJZARZMA-DJJJIMSYSA-N -1 0 337.375 3.554 20 0 EHADRM C[C@@H]1CSc2ccccc2N1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000828516607 601173968 /nfs/dbraw/zinc/17/39/68/601173968.db2.gz OIHGTKFCMUWWMT-LLVKDONJSA-N -1 0 328.393 3.918 20 0 EHADRM CCc1[nH]c(C(=O)N2c3ccccc3SC[C@H]2C)c(C)c1C(=O)[O-] ZINC000830193145 601174210 /nfs/dbraw/zinc/17/42/10/601174210.db2.gz VPXYPBMPPZOEOZ-SNVBAGLBSA-N -1 0 344.436 3.725 20 0 EHADRM C[C@@H](NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)[C@H](C)c1ccccc1 ZINC000827664017 601176434 /nfs/dbraw/zinc/17/64/34/601176434.db2.gz BNRHKUYWXCQRJP-WDEREUQCSA-N -1 0 348.349 3.977 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)c2scnc2C(C)(C)C)cc1 ZINC000830519822 601180885 /nfs/dbraw/zinc/18/08/85/601180885.db2.gz WZVHZKGUIHZUMU-UHFFFAOYSA-N -1 0 333.413 3.807 20 0 EHADRM CCN(CC(=O)[O-])C(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC000829628728 601181265 /nfs/dbraw/zinc/18/12/65/601181265.db2.gz XSBZXIYWSUUPJY-UHFFFAOYSA-N -1 0 333.771 3.679 20 0 EHADRM Cc1ccccc1-c1cnc(COC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)o1 ZINC000832974748 601187380 /nfs/dbraw/zinc/18/73/80/601187380.db2.gz NSCZMJIEBYUQFK-KBPBESRZSA-N -1 0 343.379 3.584 20 0 EHADRM O=C([O-])c1ccccc1C(=O)OCc1ncc(-c2cccc(F)c2)o1 ZINC000833333041 601189148 /nfs/dbraw/zinc/18/91/48/601189148.db2.gz LPLXLDNULDQGLF-UHFFFAOYSA-N -1 0 341.294 3.536 20 0 EHADRM CC[C@@H](CNC(=O)Nc1cccc(C(=O)[O-])c1)Oc1ccccc1F ZINC000828884331 601190846 /nfs/dbraw/zinc/19/08/46/601190846.db2.gz UYFOGDUQNYBJSD-AWEZNQCLSA-N -1 0 346.358 3.503 20 0 EHADRM CN(CCCC(=O)N1CCCSc2ccc(Cl)cc21)C(=O)[O-] ZINC000830759216 601193748 /nfs/dbraw/zinc/19/37/48/601193748.db2.gz HLABBBSGXXOVCA-UHFFFAOYSA-N -1 0 342.848 3.559 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)c1ccc(C(=O)[O-])nc1)C(C)(C)C ZINC000237624035 601208388 /nfs/dbraw/zinc/20/83/88/601208388.db2.gz VWYGEBRBGSFESL-MRXNPFEDSA-N -1 0 326.396 3.605 20 0 EHADRM CCc1[nH]c(C(=O)N(CC(F)(F)F)C2CCCC2)c(C)c1C(=O)[O-] ZINC000830184133 601224566 /nfs/dbraw/zinc/22/45/66/601224566.db2.gz TYTHPGZAKMLKNU-UHFFFAOYSA-N -1 0 346.349 3.531 20 0 EHADRM Cc1ccccc1Cc1noc(COc2cc(C(=O)[O-])ccc2C)n1 ZINC000832978895 601230523 /nfs/dbraw/zinc/23/05/23/601230523.db2.gz RKGXBBIQVYUGAA-UHFFFAOYSA-N -1 0 338.363 3.554 20 0 EHADRM C[C@H](OC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1cnc2ccccc2c1 ZINC000827828067 601238276 /nfs/dbraw/zinc/23/82/76/601238276.db2.gz VDOZMAQZINZPPX-AEGPPILISA-N -1 0 327.380 3.730 20 0 EHADRM CCC(CC)(NC(=O)c1ccnc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000828846033 601245867 /nfs/dbraw/zinc/24/58/67/601245867.db2.gz KZJACWMVKVBFEB-UHFFFAOYSA-N -1 0 346.814 3.879 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)Nc1ccc(F)cc1F)c1ccccc1 ZINC000826039164 601247013 /nfs/dbraw/zinc/24/70/13/601247013.db2.gz OGQTUEXBKBUMSM-ZUZCIYMTSA-N -1 0 334.322 3.548 20 0 EHADRM C[C@@H](c1ccc(F)cc1)N(C)C(=O)CNc1cccc(NC(=O)[O-])c1 ZINC000827934451 601247504 /nfs/dbraw/zinc/24/75/04/601247504.db2.gz GERAEUOUXZGPBL-LBPRGKRZSA-N -1 0 345.374 3.547 20 0 EHADRM COc1cccc(/C(C)=C\C(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000776632898 601249741 /nfs/dbraw/zinc/24/97/41/601249741.db2.gz KRPOFOBTDZCOJA-LCYFTJDESA-N -1 0 325.364 3.744 20 0 EHADRM COc1cccc(/C(C)=C/C(=O)Nc2cc(C(=O)[O-])ccc2F)c1 ZINC000237355636 601252855 /nfs/dbraw/zinc/25/28/55/601252855.db2.gz RNXUTZGKDCRLDY-DHZHZOJOSA-N -1 0 329.327 3.575 20 0 EHADRM Cc1cc(C)c(C(=O)Nc2ccc(Br)cc2C(=O)[O-])o1 ZINC000832872252 601271458 /nfs/dbraw/zinc/27/14/58/601271458.db2.gz MWIKLEWNSGOSHV-UHFFFAOYSA-N -1 0 338.157 3.609 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C(=O)c1ccnc(C(=O)[O-])c1)C1CC1 ZINC000237436364 601279560 /nfs/dbraw/zinc/27/95/60/601279560.db2.gz RITAUWBIGNVHEF-LLVKDONJSA-N -1 0 344.798 3.799 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000181657385 601283592 /nfs/dbraw/zinc/28/35/92/601283592.db2.gz ILFRZVWJHBIORR-HWOXTHGCSA-N -1 0 341.382 3.951 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000776644239 601283613 /nfs/dbraw/zinc/28/36/13/601283613.db2.gz MLBAASZFAUHQJD-OUKQBFOZSA-N -1 0 327.355 3.885 20 0 EHADRM CC(C)[C@H](C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000262063289 601284881 /nfs/dbraw/zinc/28/48/81/601284881.db2.gz DIYXYKWLFXRMDE-HOTGVXAUSA-N -1 0 349.858 3.793 20 0 EHADRM CCC(CC)C(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC000031976146 601285378 /nfs/dbraw/zinc/28/53/78/601285378.db2.gz MMBVNOSKRAZUTI-UHFFFAOYSA-N -1 0 332.425 3.812 20 0 EHADRM CN(C(=O)C/C=C/c1ccc(F)cc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000767021692 601287222 /nfs/dbraw/zinc/28/72/22/601287222.db2.gz NVPOJOACPHIWCI-QWNKOJSDSA-N -1 0 327.355 3.513 20 0 EHADRM CCc1ccc2c(CNc3ccc(C)c(C(=O)[O-])c3)cc(=O)oc2c1 ZINC000830260199 601301770 /nfs/dbraw/zinc/30/17/70/601301770.db2.gz XATAEUZQFKFUAU-UHFFFAOYSA-N -1 0 337.375 3.974 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)NCCCCC(=O)[O-] ZINC000666559451 601302815 /nfs/dbraw/zinc/30/28/15/601302815.db2.gz VSRNOPPPSRVTLK-OLZOCXBDSA-N -1 0 340.851 3.728 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1sc(C2CCCC2)nc1C ZINC000262109811 601307845 /nfs/dbraw/zinc/30/78/45/601307845.db2.gz OARHZUTXBIHIBN-UHFFFAOYSA-N -1 0 338.473 3.872 20 0 EHADRM CSc1ccccc1NC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000832790805 601308571 /nfs/dbraw/zinc/30/85/71/601308571.db2.gz VEVXMCQFFONRBK-AWEZNQCLSA-N -1 0 348.399 3.885 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000832853940 601315969 /nfs/dbraw/zinc/31/59/69/601315969.db2.gz ZFOSBZWWWIGNMV-CQSZACIVSA-N -1 0 348.443 3.639 20 0 EHADRM C[C@H](OC(=O)c1ccc(-c2ccc(C(=O)[O-])cc2)cc1)c1cnccn1 ZINC000827854446 601341152 /nfs/dbraw/zinc/34/11/52/601341152.db2.gz WKSQFAIRGLANES-ZDUSSCGKSA-N -1 0 348.358 3.760 20 0 EHADRM O=C([O-])c1cccc(OCc2noc(-c3ccc(F)cc3Cl)n2)c1 ZINC000833331639 601364867 /nfs/dbraw/zinc/36/48/67/601364867.db2.gz BJBMWGMZEPTFCN-UHFFFAOYSA-N -1 0 348.717 3.806 20 0 EHADRM O=C([O-])c1cccc(OCc2noc(/C=C\c3ccsc3)n2)c1 ZINC000833333704 601365678 /nfs/dbraw/zinc/36/56/78/601365678.db2.gz WUJPPQDHPYWUAE-PLNGDYQASA-N -1 0 328.349 3.579 20 0 EHADRM CCCCS[C@H](C)c1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC000829430613 601365947 /nfs/dbraw/zinc/36/59/47/601365947.db2.gz HSOYQDUSWTXIBS-LLVKDONJSA-N -1 0 336.413 3.941 20 0 EHADRM O=C([O-])C1(CNc2nn3cc(-c4ccccc4)nc3s2)CCCC1 ZINC000833173717 601379398 /nfs/dbraw/zinc/37/93/98/601379398.db2.gz GQLWMWCLNGJSPX-UHFFFAOYSA-N -1 0 342.424 3.515 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Oc2ccc(C(=O)[O-])cc2OC)cc1 ZINC000832221324 601389805 /nfs/dbraw/zinc/38/98/05/601389805.db2.gz ZLEXQBDXBFRWGW-LBPRGKRZSA-N -1 0 344.363 3.501 20 0 EHADRM COc1ccc(NCc2cc(C(=O)[O-])oc2C)c(C(F)(F)F)c1 ZINC000832413129 601391586 /nfs/dbraw/zinc/39/15/86/601391586.db2.gz DPWVHAFQGVRVFN-UHFFFAOYSA-N -1 0 329.274 3.926 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1 ZINC000828764999 601394741 /nfs/dbraw/zinc/39/47/41/601394741.db2.gz SJGUAEAHHYJMLV-CYBMUJFWSA-N -1 0 343.379 3.580 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000828758606 601394840 /nfs/dbraw/zinc/39/48/40/601394840.db2.gz NCGOJUFOWJKWCJ-CQSZACIVSA-N -1 0 341.407 3.834 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1 ZINC000358614447 601395090 /nfs/dbraw/zinc/39/50/90/601395090.db2.gz YIMPBFWAQBAKLP-DHXZDTOLSA-N -1 0 345.439 3.722 20 0 EHADRM C[C@H](C(=O)N[C@H](C(=O)[O-])c1cccs1)c1ccc(Cl)s1 ZINC000825995116 601397260 /nfs/dbraw/zinc/39/72/60/601397260.db2.gz NACCKGOPIXIGLF-CPCISQLKSA-N -1 0 329.830 3.509 20 0 EHADRM C[C@H](C(=O)N[C@@H](C(=O)[O-])c1cccs1)c1ccc(Cl)s1 ZINC000825995126 601397315 /nfs/dbraw/zinc/39/73/15/601397315.db2.gz NACCKGOPIXIGLF-WRWORJQWSA-N -1 0 329.830 3.509 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000479515173 601400675 /nfs/dbraw/zinc/40/06/75/601400675.db2.gz INZIIDOTUFODQZ-LLVKDONJSA-N -1 0 331.343 3.954 20 0 EHADRM CC(C)(c1nc(-c2ccc(C(=O)[O-])cc2)no1)c1cccc(F)c1 ZINC000826642115 601402223 /nfs/dbraw/zinc/40/22/23/601402223.db2.gz PMEKSLMZJGCRGM-UHFFFAOYSA-N -1 0 326.327 3.900 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000828757938 601404522 /nfs/dbraw/zinc/40/45/22/601404522.db2.gz FCGCLEBOEPOAQD-SUMWQHHRSA-N -1 0 339.391 3.693 20 0 EHADRM C/C(=C/COC(=O)c1cc2c3ccccc3n(C)c2s1)C(=O)[O-] ZINC000825775659 601404831 /nfs/dbraw/zinc/40/48/31/601404831.db2.gz XSHREQFGESVLRZ-YFHOEESVSA-N -1 0 329.377 3.581 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000576710465 601414252 /nfs/dbraw/zinc/41/42/52/601414252.db2.gz JUWSYUMCXASACO-UGSOOPFHSA-N -1 0 329.396 3.502 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000830362475 601422500 /nfs/dbraw/zinc/42/25/00/601422500.db2.gz AFUDSIQHONJMCW-CJNGLKHVSA-N -1 0 329.396 3.502 20 0 EHADRM CC[C@H](CNC(=O)c1ccc(NC(=O)[O-])cc1)Oc1cccc(C)c1 ZINC000828883602 601427427 /nfs/dbraw/zinc/42/74/27/601427427.db2.gz ILZQBIDKQWJAGT-MRXNPFEDSA-N -1 0 342.395 3.672 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)Nc1cc(C2CCCCC2)[nH]n1 ZINC000833288978 601427877 /nfs/dbraw/zinc/42/78/77/601427877.db2.gz YAPDVHLQBPXFIV-UHFFFAOYSA-N -1 0 328.372 3.800 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)c1 ZINC000440003922 601428987 /nfs/dbraw/zinc/42/89/87/601428987.db2.gz MYBJGTRLLZHOAN-UHFFFAOYSA-N -1 0 341.794 3.968 20 0 EHADRM O=C([O-])c1ccc(COC(=O)Cc2coc3cc(F)ccc23)cc1 ZINC000833119687 601431306 /nfs/dbraw/zinc/43/13/06/601431306.db2.gz FPJJGUBYMQJMBW-UHFFFAOYSA-N -1 0 328.295 3.556 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CCC1 ZINC000262409519 601436379 /nfs/dbraw/zinc/43/63/79/601436379.db2.gz BEIGXTXOVGRRLX-QWRGUYRKSA-N -1 0 342.222 3.611 20 0 EHADRM COc1ccccc1[C@@H]1CCCN1c1nc(Cl)c(C(=O)[O-])s1 ZINC000832603130 601445143 /nfs/dbraw/zinc/44/51/43/601445143.db2.gz ZAFNYHOKVASRDD-JTQLQIEISA-N -1 0 338.816 3.845 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Nc2cccc(F)c2C(=O)[O-])cc1 ZINC000832221092 601448180 /nfs/dbraw/zinc/44/81/80/601448180.db2.gz TYVLGFPEPRFEQZ-NSHDSACASA-N -1 0 331.343 3.665 20 0 EHADRM CC[C@H](Oc1ccccc1F)C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000829021657 601449052 /nfs/dbraw/zinc/44/90/52/601449052.db2.gz WJLYIEJSJWDUCS-AWEZNQCLSA-N -1 0 333.315 3.679 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)cc1Cl ZINC000238120103 601451023 /nfs/dbraw/zinc/45/10/23/601451023.db2.gz JBUMQVFEEFJHHN-UHFFFAOYSA-N -1 0 347.651 3.847 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000830384343 601459394 /nfs/dbraw/zinc/45/93/94/601459394.db2.gz OREQVRUTGYHLJI-KGLIPLIRSA-N -1 0 332.327 3.526 20 0 EHADRM C[C@@H](OC(=O)C1(c2cccc(Cl)c2)CC1)c1ccc(C(=O)[O-])o1 ZINC000827818006 601461556 /nfs/dbraw/zinc/46/15/56/601461556.db2.gz PZUALGCINDLFCN-SNVBAGLBSA-N -1 0 334.755 3.967 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)c1sccc1OC(F)F ZINC000830394991 601465237 /nfs/dbraw/zinc/46/52/37/601465237.db2.gz SYYMZTBFHTUVTA-UHFFFAOYSA-N -1 0 346.307 3.560 20 0 EHADRM CCN(CC)[C@@H](C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000829666461 601465757 /nfs/dbraw/zinc/46/57/57/601465757.db2.gz IISDFRFBWGQTFQ-SUMWQHHRSA-N -1 0 345.395 3.665 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)C[C@@H]1CCOc2ccccc21 ZINC000830384694 601466828 /nfs/dbraw/zinc/46/68/28/601466828.db2.gz ZVKKAWAIRUTEFJ-LBPRGKRZSA-N -1 0 344.363 3.540 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(C2SCCS2)cc1 ZINC000767052551 601468461 /nfs/dbraw/zinc/46/84/61/601468461.db2.gz YDBDGVGWYMALQD-MRXNPFEDSA-N -1 0 339.482 3.538 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000767053904 601470858 /nfs/dbraw/zinc/47/08/58/601470858.db2.gz FOIOPHAMIXHVQC-HEHGZKQESA-N -1 0 344.238 3.857 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C ZINC000237015573 601471289 /nfs/dbraw/zinc/47/12/89/601471289.db2.gz HFTYXRUWJJYUJM-KUHUBIRLSA-N -1 0 335.444 3.645 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2ccccc2N2CCCCCC2)CCC1 ZINC000649537405 601477071 /nfs/dbraw/zinc/47/70/71/601477071.db2.gz DSLIXAPKZYHYLZ-UHFFFAOYSA-N -1 0 345.443 3.586 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)Nc2cccc(-n3cccc3)c2)CC1 ZINC000833224245 601486521 /nfs/dbraw/zinc/48/65/21/601486521.db2.gz IKHCFYAGEIDICV-UHFFFAOYSA-N -1 0 341.411 3.586 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000678983286 601503365 /nfs/dbraw/zinc/50/33/65/601503365.db2.gz QSCGVMWNIJOTSA-UHFFFAOYSA-N -1 0 337.847 3.670 20 0 EHADRM Cc1cc(COC(=O)c2ccc3ccc(Cl)cc3n2)oc1C(=O)[O-] ZINC000832884900 601504053 /nfs/dbraw/zinc/50/40/53/601504053.db2.gz HKPXCXXZOCBUPV-UHFFFAOYSA-N -1 0 345.738 3.845 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000826807500 601507043 /nfs/dbraw/zinc/50/70/43/601507043.db2.gz OJTKJHHDIQHOET-CYBMUJFWSA-N -1 0 346.349 3.802 20 0 EHADRM Cc1ccc(SC2(C(=O)N[C@@H](CC(=O)[O-])C3CC3)CCCC2)cc1 ZINC000832958071 601528622 /nfs/dbraw/zinc/52/86/22/601528622.db2.gz UQBZCDZPIYZBCC-INIZCTEOSA-N -1 0 347.480 3.769 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCCc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000767072573 601529929 /nfs/dbraw/zinc/52/99/29/601529929.db2.gz HSSTUUZZBRVJRR-CQSZACIVSA-N -1 0 344.238 3.686 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2ccc3ccc(Cl)cc3n2)cc1 ZINC000431995615 601531049 /nfs/dbraw/zinc/53/10/49/601531049.db2.gz NHVMTRKHSNJOLV-UHFFFAOYSA-N -1 0 340.766 3.768 20 0 EHADRM C[C@H](CC(=O)N[C@@H](CC(=O)[O-])C1CC1)c1ccccc1C(F)(F)F ZINC000767078874 601531628 /nfs/dbraw/zinc/53/16/28/601531628.db2.gz XCUIHGOCERQIEC-YGRLFVJLSA-N -1 0 343.345 3.569 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000761641022 601536903 /nfs/dbraw/zinc/53/69/03/601536903.db2.gz ICEDQEGBZDCOBP-MRXNPFEDSA-N -1 0 337.375 3.878 20 0 EHADRM Cc1ccc(-c2nc(CN3CCc4ccccc4[C@H]3C(=O)[O-])co2)cc1 ZINC000574636619 601546885 /nfs/dbraw/zinc/54/68/85/601546885.db2.gz QFKSBCXYWAVMIM-IBGZPJMESA-N -1 0 348.402 3.834 20 0 EHADRM CC[C@H](C(=O)N1CCC[C@H](C(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC000128544445 601548088 /nfs/dbraw/zinc/54/80/88/601548088.db2.gz WLZPCDPHDGNJDK-JSGCOSHPSA-N -1 0 343.345 3.522 20 0 EHADRM O=C([O-])[C@H](OC(=O)C1CC(F)(F)C1)c1ccc(Cl)cc1Cl ZINC000833349058 601567883 /nfs/dbraw/zinc/56/78/83/601567883.db2.gz AZMWVEVSLJFWME-SNVBAGLBSA-N -1 0 339.121 3.708 20 0 EHADRM CCC1CCC(NC(=O)/C=C\SCc2ccco2)(C(=O)[O-])CC1 ZINC000776647845 601572787 /nfs/dbraw/zinc/57/27/87/601572787.db2.gz VWFNHOOAIDRCRS-XFFZJAGNSA-N -1 0 337.441 3.566 20 0 EHADRM CC(C)Oc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000678983777 601580469 /nfs/dbraw/zinc/58/04/69/601580469.db2.gz LSWYHUBPSBHICJ-MRXNPFEDSA-N -1 0 347.798 3.683 20 0 EHADRM Cc1ccccc1SCC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000345755331 601580626 /nfs/dbraw/zinc/58/06/26/601580626.db2.gz XKWOIUZFZYBPKF-INIZCTEOSA-N -1 0 349.839 3.683 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2cccc(F)c2o1)c1ccc(Cl)cc1 ZINC000678984275 601582700 /nfs/dbraw/zinc/58/27/00/601582700.db2.gz WPWAXGWUKWCZAR-CQSZACIVSA-N -1 0 347.729 3.781 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)CCCc2ccc(F)c(F)c2)c1 ZINC000833268415 601599610 /nfs/dbraw/zinc/59/96/10/601599610.db2.gz SGPZPJLXHWVLMO-UHFFFAOYSA-N -1 0 334.318 3.520 20 0 EHADRM O=C([O-])C1(CNC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)CCCC1 ZINC000678982064 601601809 /nfs/dbraw/zinc/60/18/09/601601809.db2.gz AZXVOBCQHFMLJV-MSOLQXFVSA-N -1 0 337.419 3.705 20 0 EHADRM CC(C)c1csc(NC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])n1 ZINC000827144933 601603653 /nfs/dbraw/zinc/60/36/53/601603653.db2.gz XHYGDYBCBOBQCC-RISCZKNCSA-N -1 0 347.440 3.850 20 0 EHADRM C[C@H](CSc1ccc(F)cc1)C(=O)OCc1ccoc1C(=O)[O-] ZINC000827581921 601609994 /nfs/dbraw/zinc/60/99/94/601609994.db2.gz UAJRFNVPKMKQDR-SNVBAGLBSA-N -1 0 338.356 3.589 20 0 EHADRM CCCCN(C)c1ccc(C(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000236721318 601614255 /nfs/dbraw/zinc/61/42/55/601614255.db2.gz FJIRGBCLUYEOLZ-UHFFFAOYSA-N -1 0 340.423 3.802 20 0 EHADRM Cc1ccc(F)c(NC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000832936100 601615200 /nfs/dbraw/zinc/61/52/00/601615200.db2.gz XVZUEXDLGORHFZ-MLGOLLRUSA-N -1 0 330.359 3.718 20 0 EHADRM Cc1ccc(Br)cc1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000087741990 601615168 /nfs/dbraw/zinc/61/51/68/601615168.db2.gz LTBCPSJXKQETED-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM COc1ccc(C)cc1NC(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832266338 601615386 /nfs/dbraw/zinc/61/53/86/601615386.db2.gz YXFMRTPDHICOPB-SUMWQHHRSA-N -1 0 342.395 3.587 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Nc1cc(F)cc(F)c1)c1ccccc1 ZINC000826038217 601616109 /nfs/dbraw/zinc/61/61/09/601616109.db2.gz DEYSTPWRDASASY-BMIGLBTASA-N -1 0 334.322 3.548 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Nc1ccccc1-c1cccs1)C1CC1 ZINC000833198897 601616494 /nfs/dbraw/zinc/61/64/94/601616494.db2.gz MLPVNQJAGUUXKH-AWEZNQCLSA-N -1 0 330.409 3.790 20 0 EHADRM Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccccc1CC(=O)[O-] ZINC000236629602 601617192 /nfs/dbraw/zinc/61/71/92/601617192.db2.gz ZJPWBZXDWWAPBK-UHFFFAOYSA-N -1 0 341.407 3.763 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)Nc1ccccc1CC(=O)[O-] ZINC000237198073 601617366 /nfs/dbraw/zinc/61/73/66/601617366.db2.gz CGBSOZKCQIMPGW-CQSZACIVSA-N -1 0 341.407 3.530 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc2c(s1)CCC2)c1ccc(Cl)cc1 ZINC000013174392 601620313 /nfs/dbraw/zinc/62/03/13/601620313.db2.gz WQHQNEUGNNHSKT-ZDUSSCGKSA-N -1 0 349.839 3.836 20 0 EHADRM CCCNc1nnc(SCc2cc(C(=O)[O-])sc2C)s1 ZINC000829519855 601621896 /nfs/dbraw/zinc/62/18/96/601621896.db2.gz VPRFOEDECWTEGZ-UHFFFAOYSA-N -1 0 329.472 3.720 20 0 EHADRM CC(C)Sc1ccc(Cl)cc1NC(=O)NC[C@@H](C)C(=O)[O-] ZINC000653537764 601623549 /nfs/dbraw/zinc/62/35/49/601623549.db2.gz FOORABAXYIVOBO-SECBINFHSA-N -1 0 330.837 3.683 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COc1ccc(NC(=O)C2CC2)cc1 ZINC000833032110 601633460 /nfs/dbraw/zinc/63/34/60/601633460.db2.gz ZOFXFRZOWUWCIU-UHFFFAOYSA-N -1 0 331.393 3.682 20 0 EHADRM COC(=O)c1ccc(COc2ccc(Cl)cc2C(=O)[O-])cc1F ZINC000831385512 601633866 /nfs/dbraw/zinc/63/38/66/601633866.db2.gz WBQDLIMITOXQEH-UHFFFAOYSA-N -1 0 338.718 3.543 20 0 EHADRM CCCCC[C@@H](NC(=O)c1ccc(SC(F)F)cc1)C(=O)[O-] ZINC000236839519 601642859 /nfs/dbraw/zinc/64/28/59/601642859.db2.gz VWJJWTYCENUAHF-GFCCVEGCSA-N -1 0 331.384 3.765 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)Cc1ccc(F)cc1F ZINC000190737977 601672224 /nfs/dbraw/zinc/67/22/24/601672224.db2.gz GTMYFIKYSJYUJV-UHFFFAOYSA-N -1 0 349.333 3.631 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)c2cc(F)cc(Cl)c2)c2ccccc21 ZINC000833217355 601676137 /nfs/dbraw/zinc/67/61/37/601676137.db2.gz GXIVDIKHYQKQLE-NSHDSACASA-N -1 0 333.746 3.698 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2C[C@@H]2Cc2ccccc2)cc1Cl ZINC000833319507 601678802 /nfs/dbraw/zinc/67/88/02/601678802.db2.gz WROJLLXMZMJRHI-WFASDCNBSA-N -1 0 329.783 3.856 20 0 EHADRM O=C([O-])CCCOc1ccc(Nc2c(F)c(F)nc(F)c2F)cc1 ZINC000833227133 601679731 /nfs/dbraw/zinc/67/97/31/601679731.db2.gz AOIIXLNZMOFROZ-UHFFFAOYSA-N -1 0 344.264 3.625 20 0 EHADRM O=C([O-])CC1(NC(=O)CCCc2ccc(F)c(F)c2)CCCCC1 ZINC000537402626 601683337 /nfs/dbraw/zinc/68/33/37/601683337.db2.gz MIXASJYPYRMLEH-UHFFFAOYSA-N -1 0 339.382 3.581 20 0 EHADRM CSCc1cc(F)ccc1CNC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000832770851 601688506 /nfs/dbraw/zinc/68/85/06/601688506.db2.gz KDEWMZWRDJXGGF-UHFFFAOYSA-N -1 0 348.399 3.709 20 0 EHADRM Cc1cc(C(=O)N2CCC(C(C)(C)C)CC2)cc(C)c1OCC(=O)[O-] ZINC000832860880 601689381 /nfs/dbraw/zinc/68/93/81/601689381.db2.gz ORPHHHCBNQTIDP-UHFFFAOYSA-N -1 0 347.455 3.665 20 0 EHADRM CSc1cc(C)ccc1CNC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000832774675 601689808 /nfs/dbraw/zinc/68/98/08/601689808.db2.gz XAAYLAXGMDFMTP-UHFFFAOYSA-N -1 0 330.409 3.737 20 0 EHADRM O=C([O-])[C@@]1(F)CCN(C(=O)Nc2ccc(-c3ccccc3)cc2F)C1 ZINC000833153473 601691114 /nfs/dbraw/zinc/69/11/14/601691114.db2.gz OCSIBKZYXIEEMF-GOSISDBHSA-N -1 0 346.333 3.523 20 0 EHADRM C[C@H](NC(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccc(F)cc1F ZINC000832832446 601692560 /nfs/dbraw/zinc/69/25/60/601692560.db2.gz SGKYXJFKLNWILM-QMMMGPOBSA-N -1 0 338.285 3.685 20 0 EHADRM O=C([O-])[C@@]1(F)CCN(C(=O)Nc2ccc3c(c2)oc2ccccc23)C1 ZINC000833159221 601694969 /nfs/dbraw/zinc/69/49/69/601694969.db2.gz WERCBKDSYARYOJ-GOSISDBHSA-N -1 0 342.326 3.617 20 0 EHADRM CC(C)c1ccccc1OCC(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000827139256 601707015 /nfs/dbraw/zinc/70/70/15/601707015.db2.gz IDCIXICYPSJMEQ-UHFFFAOYSA-N -1 0 346.354 3.770 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1ccccc1OC(F)F ZINC000833032759 601707890 /nfs/dbraw/zinc/70/78/90/601707890.db2.gz HWFZXDTYOIMKIU-UHFFFAOYSA-N -1 0 342.319 3.713 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000262795751 601708896 /nfs/dbraw/zinc/70/88/96/601708896.db2.gz QPRSGGMBZQLJTI-IBGZPJMESA-N -1 0 341.338 3.533 20 0 EHADRM CCC[C@H]1C[C@@H]1NC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000829255503 601718833 /nfs/dbraw/zinc/71/88/33/601718833.db2.gz ITFSYCOELZEJSV-ZFWWWQNUSA-N -1 0 336.457 3.705 20 0 EHADRM Cc1cc(C)cc(OCCC(=O)OCc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000832878924 601721136 /nfs/dbraw/zinc/72/11/36/601721136.db2.gz KUCIVCQBIVKSFA-UHFFFAOYSA-N -1 0 346.354 3.653 20 0 EHADRM CC(C)Oc1ccccc1C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000827062898 601727395 /nfs/dbraw/zinc/72/73/95/601727395.db2.gz IQHGPXKGBKHLSJ-UHFFFAOYSA-N -1 0 332.327 3.668 20 0 EHADRM COc1ccc2c(c1)N(C(=O)c1cccc(NC(=O)[O-])c1)CCCC2 ZINC000832499975 601728777 /nfs/dbraw/zinc/72/87/77/601728777.db2.gz TUNKOYWRMKPIHE-UHFFFAOYSA-N -1 0 340.379 3.768 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)C[C@H]1CCOc2ccccc21 ZINC000833031791 601729698 /nfs/dbraw/zinc/72/96/98/601729698.db2.gz PNJKASSHGNUDMO-GFCCVEGCSA-N -1 0 346.404 3.754 20 0 EHADRM O=C([O-])CCCc1csc(NC(=O)C2(c3ccccc3)CCC2)n1 ZINC000325278649 601746298 /nfs/dbraw/zinc/74/62/98/601746298.db2.gz JIIJLGPYBQFESD-UHFFFAOYSA-N -1 0 344.436 3.611 20 0 EHADRM C[C@H](CC(=O)Nc1nc(CCCC(=O)[O-])cs1)CC(C)(C)C ZINC000387869916 601747516 /nfs/dbraw/zinc/74/75/16/601747516.db2.gz BADMOYBFVLLOAA-LLVKDONJSA-N -1 0 326.462 3.951 20 0 EHADRM CC[C@H]1CC[C@H](C(=O)OCc2c3ccccc3sc2C(=O)[O-])O1 ZINC000829079805 601747657 /nfs/dbraw/zinc/74/76/57/601747657.db2.gz ACMALMAXUBBOTJ-GXFFZTMASA-N -1 0 334.393 3.600 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)C1CCCCC1 ZINC000391243994 601754763 /nfs/dbraw/zinc/75/47/63/601754763.db2.gz KWHHTDITYNZJSW-AVGNSLFASA-N -1 0 335.366 3.505 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000833289032 601756128 /nfs/dbraw/zinc/75/61/28/601756128.db2.gz ZNJIIDAGSOCPCE-QWRGUYRKSA-N -1 0 344.333 3.875 20 0 EHADRM CCC1(CC)CCN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000321480934 601778696 /nfs/dbraw/zinc/77/86/96/601778696.db2.gz GKMZUHBAPBGSFH-UHFFFAOYSA-N -1 0 326.343 3.707 20 0 EHADRM O=C([O-])c1cc(-c2nc3cc(Br)ccc3n2C2CC2)c[nH]1 ZINC000833293657 601788812 /nfs/dbraw/zinc/78/88/12/601788812.db2.gz FJVIBOQWZGZAST-UHFFFAOYSA-N -1 0 346.184 3.827 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)N[C@H](CC(=O)[O-])c2ccccc2)c1 ZINC000237304620 601799774 /nfs/dbraw/zinc/79/97/74/601799774.db2.gz VWZXFGOJGQXLCC-KBXCAEBGSA-N -1 0 341.407 3.521 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)OCc2cc(C(=O)[O-])c(C)o2)c1 ZINC000832529017 601800151 /nfs/dbraw/zinc/80/01/51/601800151.db2.gz UXINXCNQGNMOBE-NSHDSACASA-N -1 0 332.352 3.532 20 0 EHADRM C[C@H](C(=O)NCC1(C(=O)[O-])CCCC1)c1ccc2ccccc2c1 ZINC000826005294 601804702 /nfs/dbraw/zinc/80/47/02/601804702.db2.gz WTRDWOUAAPAFIR-AWEZNQCLSA-N -1 0 325.408 3.705 20 0 EHADRM COc1ccccc1CCC(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000832609015 601809109 /nfs/dbraw/zinc/80/91/09/601809109.db2.gz ZWPKLDNPFOHDOU-UHFFFAOYSA-N -1 0 345.420 3.904 20 0 EHADRM Cc1noc(C)c1[C@@H](C)C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000833019017 601809111 /nfs/dbraw/zinc/80/91/11/601809111.db2.gz AIPLAEURRWSNIM-SSDOTTSWSA-N -1 0 334.397 3.671 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2cnccc2-c2cccc(F)c2)c1 ZINC000821550510 601809725 /nfs/dbraw/zinc/80/97/25/601809725.db2.gz IQKCUAZNQNNWBL-UHFFFAOYSA-N -1 0 336.322 3.838 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCC[C@]3(CCCc4ccccc43)C2)c1 ZINC000833327258 601813370 /nfs/dbraw/zinc/81/33/70/601813370.db2.gz DDUUPDFBNSDOGA-JOCHJYFZSA-N -1 0 349.430 3.895 20 0 EHADRM CC/C(=C/C(=O)N1CCC(CCC(=O)[O-])CC1)c1ccc(C)cc1 ZINC000777372319 601814986 /nfs/dbraw/zinc/81/49/86/601814986.db2.gz HBVNWPGRKFMABI-VKAVYKQESA-N -1 0 329.440 3.892 20 0 EHADRM Cc1cccc(NC(=O)CSCc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000832970273 601815651 /nfs/dbraw/zinc/81/56/51/601815651.db2.gz FWCRQPNYIQQQOM-UHFFFAOYSA-N -1 0 333.384 3.704 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2ccc(OC3CCCC3)cc2)CC1 ZINC000679097894 601821748 /nfs/dbraw/zinc/82/17/48/601821748.db2.gz OBQJTPDHEQVLCA-UHFFFAOYSA-N -1 0 345.439 3.725 20 0 EHADRM CCC[C@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccccc1 ZINC000659393166 601823463 /nfs/dbraw/zinc/82/34/63/601823463.db2.gz UJIGEJOWLKJDBM-KRWDZBQOSA-N -1 0 332.444 3.814 20 0 EHADRM Cc1csc(CNc2ccc(C(=O)[O-])cc2OCC(F)(F)F)n1 ZINC000832989411 601830508 /nfs/dbraw/zinc/83/05/08/601830508.db2.gz NLIVDCWRDMBDTL-UHFFFAOYSA-N -1 0 346.330 3.703 20 0 EHADRM CC(C)c1ccc(NC(=S)NCc2cccc(C(=O)[O-])c2)cc1 ZINC000827124204 601846020 /nfs/dbraw/zinc/84/60/20/601846020.db2.gz LLIKFJRIGUIUNK-UHFFFAOYSA-N -1 0 328.437 3.995 20 0 EHADRM C[C@@H](SCc1ccc(C(=O)[O-])s1)C(=O)NC1CCC(C)CC1 ZINC000828225971 601846849 /nfs/dbraw/zinc/84/68/49/601846849.db2.gz MCELZFRFWZOPAY-MOENNCHZSA-N -1 0 341.498 3.763 20 0 EHADRM Cc1ccc(C)c(NC(=O)CSCc2ccc(C(=O)[O-])s2)c1 ZINC000832926297 601847279 /nfs/dbraw/zinc/84/72/79/601847279.db2.gz LXXPRXZLMDGORO-UHFFFAOYSA-N -1 0 335.450 3.935 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2cncc(-c3ccccc3)c2)cc1 ZINC000833265816 601847671 /nfs/dbraw/zinc/84/76/71/601847671.db2.gz FKQLCFVOJGCHGG-UHFFFAOYSA-N -1 0 332.359 3.628 20 0 EHADRM O=C([O-])N[C@H](C(=O)NCc1csc2ccccc12)c1ccccc1 ZINC000740693053 601854426 /nfs/dbraw/zinc/85/44/26/601854426.db2.gz YIEKAOJOQNUFBH-INIZCTEOSA-N -1 0 340.404 3.526 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)N[C@H]2CCc3c2cccc3Cl)c1 ZINC000833146081 601858438 /nfs/dbraw/zinc/85/84/38/601858438.db2.gz OQLFZSSCBWURTF-INIZCTEOSA-N -1 0 344.798 3.525 20 0 EHADRM CC(C)N(CCC(=O)Nc1ccccc1OC1CCCC1)C(=O)[O-] ZINC000738844806 601865803 /nfs/dbraw/zinc/86/58/03/601865803.db2.gz QCPAINRTQHYSKO-UHFFFAOYSA-N -1 0 334.416 3.725 20 0 EHADRM CCC(CC)(NC(=O)c1cncc(-c2ccc(Cl)cc2)c1)C(=O)[O-] ZINC000828846009 601866917 /nfs/dbraw/zinc/86/69/17/601866917.db2.gz FQKHBQHAYISEOW-UHFFFAOYSA-N -1 0 346.814 3.775 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(-c3ccccc3)ns2)cc1F ZINC000833153031 601877795 /nfs/dbraw/zinc/87/77/95/601877795.db2.gz CLFJTPUSTLTBGQ-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM O=C([O-])Cc1sc(NC(=O)[C@@H]2CC23CCC3)nc1-c1ccccc1 ZINC000833270579 601882492 /nfs/dbraw/zinc/88/24/92/601882492.db2.gz QPQRQNCTYIQMSY-LBPRGKRZSA-N -1 0 342.420 3.566 20 0 EHADRM CCN(C(=O)CNc1ccc(C(=O)[O-])cc1)[C@H](C)c1ccc(F)cc1 ZINC000829598067 601904513 /nfs/dbraw/zinc/90/45/13/601904513.db2.gz YVUNZRUFRWRJJF-CYBMUJFWSA-N -1 0 344.386 3.546 20 0 EHADRM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)c2sccc2-c2ccccc2)C1 ZINC000739588303 601904767 /nfs/dbraw/zinc/90/47/67/601904767.db2.gz XEBZLTKGXXFGOG-CQSZACIVSA-N -1 0 344.436 3.630 20 0 EHADRM CN(Cc1cc(C(=O)[O-])co1)Cc1cccc(OC(F)(F)F)c1 ZINC000577521507 601908790 /nfs/dbraw/zinc/90/87/90/601908790.db2.gz GJFHMGXXOSWETP-UHFFFAOYSA-N -1 0 329.274 3.508 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)c1ccc(Cl)cc1F ZINC000262064533 601914706 /nfs/dbraw/zinc/91/47/06/601914706.db2.gz BOFFKAOQPSYPFX-JSGCOSHPSA-N -1 0 327.783 3.633 20 0 EHADRM CC[C@H](NC(=O)[O-])C(=O)N(CC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000739521940 601928659 /nfs/dbraw/zinc/92/86/59/601928659.db2.gz XWFAMABQGHUFCX-MFKMUULPSA-N -1 0 346.349 3.661 20 0 EHADRM Cc1ccc([C@H](CNC(=O)c2cc(C)c(F)cc2Cl)C(=O)[O-])cc1 ZINC000537367187 601933630 /nfs/dbraw/zinc/93/36/30/601933630.db2.gz CHOWNXCGLFGHJV-AWEZNQCLSA-N -1 0 349.789 3.694 20 0 EHADRM COc1ccc(OC)c(CN(Cc2ccc(C(=O)[O-])s2)C2CC2)c1 ZINC000563278665 601940185 /nfs/dbraw/zinc/94/01/85/601940185.db2.gz LYJVKMILANZXBG-UHFFFAOYSA-N -1 0 347.436 3.628 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CC3(CCC3)Oc3ccccc32)s1 ZINC000833310888 601941978 /nfs/dbraw/zinc/94/19/78/601941978.db2.gz NNNZRIYAAJMTAC-GFCCVEGCSA-N -1 0 343.404 3.623 20 0 EHADRM Cc1cncc(C(=O)O[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)c1 ZINC000832986760 601952547 /nfs/dbraw/zinc/95/25/47/601952547.db2.gz OJHFMTCAFIOYDH-ZDUSSCGKSA-N -1 0 340.162 3.680 20 0 EHADRM Cc1cc(COC(=O)c2cc(C)c(F)cc2Cl)oc1C(=O)[O-] ZINC000832870150 601977625 /nfs/dbraw/zinc/97/76/25/601977625.db2.gz YZWHYQFKOIJYFN-UHFFFAOYSA-N -1 0 326.707 3.744 20 0 EHADRM O=C([O-])c1ccc(-c2nc(COC(=O)[C@H]3CC34CCC4)cs2)cc1 ZINC000833308035 601984040 /nfs/dbraw/zinc/98/40/40/601984040.db2.gz LADLAKAHNMVODE-CQSZACIVSA-N -1 0 343.404 3.742 20 0 EHADRM CN(Cc1ccoc1)C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000830865178 601986213 /nfs/dbraw/zinc/98/62/13/601986213.db2.gz LAYGUIPSHIMFPW-UHFFFAOYSA-N -1 0 342.273 3.661 20 0 EHADRM CC[C@@H](NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1)C(C)C ZINC000828964797 601988950 /nfs/dbraw/zinc/98/89/50/601988950.db2.gz AMZKQHKBQSTIJX-GFCCVEGCSA-N -1 0 332.322 3.960 20 0 EHADRM CC[C@H](NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1)C(C)C ZINC000828964799 601989115 /nfs/dbraw/zinc/98/91/15/601989115.db2.gz AMZKQHKBQSTIJX-LBPRGKRZSA-N -1 0 332.322 3.960 20 0 EHADRM Cc1cc(Cl)cc(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)c1 ZINC000832885707 601992597 /nfs/dbraw/zinc/99/25/97/601992597.db2.gz LXGBMUCZJMHYEJ-UHFFFAOYSA-N -1 0 333.771 3.754 20 0 EHADRM CC(C)CCC1CCN(C(=O)Nc2ccc(CC(=O)[O-])cc2)CC1 ZINC000826845500 601992973 /nfs/dbraw/zinc/99/29/73/601992973.db2.gz VOGALQSCVXVVNY-UHFFFAOYSA-N -1 0 332.444 3.994 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cn1 ZINC000740708433 601996524 /nfs/dbraw/zinc/99/65/24/601996524.db2.gz RIOYMMGTFRVOMR-UHFFFAOYSA-N -1 0 347.374 3.942 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cn1 ZINC000740712517 601997318 /nfs/dbraw/zinc/99/73/18/601997318.db2.gz UCFDYCHLDDAUDE-UHFFFAOYSA-N -1 0 326.139 3.731 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2ccc(Br)s2)s1 ZINC000833314876 601997372 /nfs/dbraw/zinc/99/73/72/601997372.db2.gz AIEHWWLIKSDWBZ-UHFFFAOYSA-N -1 0 347.211 3.627 20 0 EHADRM CC(C)C[C@@H](C)CC(=O)N(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000826759581 601998609 /nfs/dbraw/zinc/99/86/09/601998609.db2.gz JAAAFJQYLYIZJT-QLJPJBMISA-N -1 0 345.361 3.760 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cccn2Cc2ccccc2)s1 ZINC000833314933 602000150 /nfs/dbraw/zinc/00/01/50/602000150.db2.gz BIFYTAAMIWHTJU-UHFFFAOYSA-N -1 0 341.388 3.653 20 0 EHADRM CC[C@H](C(=O)N1CC[C@](C)(C(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC000237074347 602014658 /nfs/dbraw/zinc/01/46/58/602014658.db2.gz WWWINPAGAZXIPL-BBRMVZONSA-N -1 0 343.345 3.522 20 0 EHADRM CC(C)[C@@H](C)CNC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000826681882 602014987 /nfs/dbraw/zinc/01/49/87/602014987.db2.gz SSXWHSFWALUUBT-VIFPVBQESA-N -1 0 332.322 3.817 20 0 EHADRM C[C@H](OC(=O)c1cncc(-c2ccccc2)c1)c1ccc(C(=O)[O-])o1 ZINC000827868267 602015393 /nfs/dbraw/zinc/01/53/93/602015393.db2.gz UMJCQNGQUIOPHE-LBPRGKRZSA-N -1 0 337.331 3.958 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N1CCCC[C@H]1[C@H](C)NC(=O)[O-] ZINC000740035460 602017919 /nfs/dbraw/zinc/01/79/19/602017919.db2.gz HZSKGCLPPWHSTA-FZMZJTMJSA-N -1 0 348.374 3.531 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)c1cc(Cl)nc(Cl)c1 ZINC000403184399 602021907 /nfs/dbraw/zinc/02/19/07/602021907.db2.gz HDRFYMOGYJJUAH-UHFFFAOYSA-N -1 0 333.215 3.543 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@@H]1SCCc2sccc21 ZINC000238100071 602022162 /nfs/dbraw/zinc/02/21/62/602022162.db2.gz BQEJSJJSRGVCFJ-OAHLLOKOSA-N -1 0 341.498 3.620 20 0 EHADRM C[C@@]1(C(=O)NCCCCCCCC(=O)[O-])CCCc2ccccc21 ZINC000237490637 602022322 /nfs/dbraw/zinc/02/23/22/602022322.db2.gz MFUXQUSUSCCDIW-HXUWFJFHSA-N -1 0 331.456 3.822 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000833225303 602022584 /nfs/dbraw/zinc/02/25/84/602022584.db2.gz PXRGQGGIOOIMNJ-UHFFFAOYSA-N -1 0 336.819 3.976 20 0 EHADRM CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2cc(C(=O)[O-])ccc2F)C1 ZINC000830151012 602031607 /nfs/dbraw/zinc/03/16/07/602031607.db2.gz SMUWDAHSAYHGKD-NEPJUHHUSA-N -1 0 340.420 3.662 20 0 EHADRM Cc1noc(C)c1CN(C)[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000833020807 602035058 /nfs/dbraw/zinc/03/50/58/602035058.db2.gz CCCGCQSIRMZZMJ-AWEZNQCLSA-N -1 0 343.210 3.856 20 0 EHADRM CCCOc1cc(F)ccc1NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000829528016 602041304 /nfs/dbraw/zinc/04/13/04/602041304.db2.gz OKVPSYHGYLNYKF-UHFFFAOYSA-N -1 0 334.347 3.510 20 0 EHADRM CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)C1 ZINC000830148908 602044704 /nfs/dbraw/zinc/04/47/04/602044704.db2.gz AZNIDWNMFOGUQF-ZIAGYGMSSA-N -1 0 336.457 3.831 20 0 EHADRM O=C(/C=C/SCc1ccco1)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000776681427 602049923 /nfs/dbraw/zinc/04/99/23/602049923.db2.gz FVTWOWVNYYBYKS-XXQUSICCSA-N -1 0 337.441 3.566 20 0 EHADRM CC(C)[C@@H](NC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000262917959 602056917 /nfs/dbraw/zinc/05/69/17/602056917.db2.gz FGIVSIQUPSMLAM-RHSMWYFYSA-N -1 0 338.835 3.543 20 0 EHADRM Cc1ccc(Br)cc1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000087844404 602066058 /nfs/dbraw/zinc/06/60/58/602066058.db2.gz KRVUSOBXTSBDKG-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)CCCCC(=O)c2ccccc2)cn1 ZINC000740708579 602068151 /nfs/dbraw/zinc/06/81/51/602068151.db2.gz IKENIFMSWMZDFO-UHFFFAOYSA-N -1 0 341.367 3.553 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)c1 ZINC000738621171 602070413 /nfs/dbraw/zinc/07/04/13/602070413.db2.gz XVHYBFGKMXDWRT-UHFFFAOYSA-N -1 0 342.782 3.630 20 0 EHADRM Cc1nc([C@H](C)OC(=O)[C@@H]2C[C@@H]2C(=O)[O-])oc1-c1ccc(Cl)cc1 ZINC000832994689 602086283 /nfs/dbraw/zinc/08/62/83/602086283.db2.gz WTVBMWRYLUFRRM-TVYUQYBPSA-N -1 0 349.770 3.628 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@@H]1CC12CCC2)c1cc(Cl)cc(Cl)c1 ZINC000833168837 602089683 /nfs/dbraw/zinc/08/96/83/602089683.db2.gz FDAGZJPZBZXTFM-NWDGAFQWSA-N -1 0 329.179 3.853 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N(Cc1c(Cl)cccc1Cl)C1CC1 ZINC000827247503 602090495 /nfs/dbraw/zinc/09/04/95/602090495.db2.gz NKZMUNTUYLSOME-VIFPVBQESA-N -1 0 330.211 3.595 20 0 EHADRM C[C@H]1CN(C(=O)NCCCCCCCC(=O)[O-])[C@@H]1c1ccccc1 ZINC000828354860 602094635 /nfs/dbraw/zinc/09/46/35/602094635.db2.gz QYYJMYLTECTFEG-YJBOKZPZSA-N -1 0 332.444 3.814 20 0 EHADRM Cc1nc2cc(NC(=O)NCCCCCCCC(=O)[O-])ccc2o1 ZINC000833004024 602095620 /nfs/dbraw/zinc/09/56/20/602095620.db2.gz GSBZZVJWEOEBCM-UHFFFAOYSA-N -1 0 333.388 3.683 20 0 EHADRM Cc1ccccc1[C@H]1CCN(C(=O)NCCCCCCCC(=O)[O-])C1 ZINC000832977032 602096487 /nfs/dbraw/zinc/09/64/87/602096487.db2.gz AWTUWCPRQJWFSJ-KRWDZBQOSA-N -1 0 346.471 3.919 20 0 EHADRM CCOCCC1(C(=O)OCc2cc(C(=O)[O-])sc2C)CCCC1 ZINC000829994420 602101857 /nfs/dbraw/zinc/10/18/57/602101857.db2.gz LUGYAIWNHSMJJW-UHFFFAOYSA-N -1 0 340.441 3.785 20 0 EHADRM C[C@@H](CC(=O)[O-])c1nc(-c2ccccc2OCc2ccccc2)no1 ZINC000827391453 602102646 /nfs/dbraw/zinc/10/26/46/602102646.db2.gz CRYCTQYIHCNAPM-ZDUSSCGKSA-N -1 0 338.363 3.894 20 0 EHADRM CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1ccc(Br)cc1C ZINC000739301137 602106758 /nfs/dbraw/zinc/10/67/58/602106758.db2.gz JSDICODNXZKXRX-CQSZACIVSA-N -1 0 343.221 3.522 20 0 EHADRM CCC(=O)c1ccc(C(=O)N2CCCc3c(C(=O)[O-])cccc32)cc1 ZINC000828574255 602108024 /nfs/dbraw/zinc/10/80/24/602108024.db2.gz NADDLALTFSDIPX-UHFFFAOYSA-N -1 0 337.375 3.571 20 0 EHADRM O=C([O-])c1ccc(OCc2ccccc2)c(NC(=O)NC2CCC2)c1 ZINC000833150062 602113166 /nfs/dbraw/zinc/11/31/66/602113166.db2.gz BFDIUNYGIQTHPC-UHFFFAOYSA-N -1 0 340.379 3.638 20 0 EHADRM CCC(CC)(CNC(=O)[C@H](C)CC(=O)[O-])c1ccc(Cl)cc1 ZINC000828815434 602140111 /nfs/dbraw/zinc/14/01/11/602140111.db2.gz UOPBVBLIXZPJFF-GFCCVEGCSA-N -1 0 325.836 3.625 20 0 EHADRM CCC(=O)c1ccc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000828573786 602149993 /nfs/dbraw/zinc/14/99/93/602149993.db2.gz BLKBPGUWPHTQJK-UHFFFAOYSA-N -1 0 331.755 3.883 20 0 EHADRM O=C([O-])c1ccc(COc2ccccc2C=Cc2nccc(=O)[nH]2)cc1 ZINC000833314744 602150322 /nfs/dbraw/zinc/15/03/22/602150322.db2.gz KQWMCCBYJKOCOA-MDZDMXLPSA-N -1 0 348.358 3.630 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000827873425 602150927 /nfs/dbraw/zinc/15/09/27/602150927.db2.gz IXHWWQFUNOEJOL-CQSZACIVSA-N -1 0 348.443 3.563 20 0 EHADRM Cc1cccc(COc2ccc(NC(=O)[C@@H](C)CC(=O)[O-])c(C)c2)c1 ZINC000832966981 602151302 /nfs/dbraw/zinc/15/13/02/602151302.db2.gz JMJAERBTAGUWNM-HNNXBMFYSA-N -1 0 341.407 3.932 20 0 EHADRM CCO[C@@H](CC(=O)Nc1scc(C2CC2)c1C(=O)[O-])C(C)C ZINC000829912407 602165687 /nfs/dbraw/zinc/16/56/87/602165687.db2.gz JYXTZVZFBHWFID-LBPRGKRZSA-N -1 0 325.430 3.713 20 0 EHADRM COc1ccccc1C/C(C)=C/C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000191349881 602180438 /nfs/dbraw/zinc/18/04/38/602180438.db2.gz DXNOGNTZMKBVIN-DHZHZOJOSA-N -1 0 331.393 3.582 20 0 EHADRM COc1ccc(C(C)(C)c2nc(-c3ccc(C(=O)[O-])cc3)no2)cc1 ZINC000832216633 602183590 /nfs/dbraw/zinc/18/35/90/602183590.db2.gz DYBAIUTXIHPHOG-UHFFFAOYSA-N -1 0 338.363 3.769 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2c(F)cccc2Br)c1 ZINC000833342016 602187182 /nfs/dbraw/zinc/18/71/82/602187182.db2.gz COUHXIGHGHFFOD-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)c1 ZINC000191357583 602188018 /nfs/dbraw/zinc/18/80/18/602188018.db2.gz DVSRVXFORRDJGT-UHFFFAOYSA-N -1 0 347.783 3.538 20 0 EHADRM O=C([O-])c1csc(NC(=O)Cc2coc3cc4c(cc23)CCC4)c1 ZINC000683328975 602188918 /nfs/dbraw/zinc/18/89/18/602188918.db2.gz KLUIBVIIEHVJMX-UHFFFAOYSA-N -1 0 341.388 3.862 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)O[C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000827333073 602193734 /nfs/dbraw/zinc/19/37/34/602193734.db2.gz GZWJHNKKYVYUNR-FZMZJTMJSA-N -1 0 345.420 3.842 20 0 EHADRM Cc1cccc(C(NC(=O)[C@H](C)CC(=O)[O-])c2cccc(C)c2)c1 ZINC000832964389 602197537 /nfs/dbraw/zinc/19/75/37/602197537.db2.gz INHCWIWEINGFOV-OAHLLOKOSA-N -1 0 325.408 3.620 20 0 EHADRM CCc1ccc([C@H](C)C(=O)Nc2cccc(CNC(=O)[O-])c2)cc1 ZINC000739544599 602198863 /nfs/dbraw/zinc/19/88/63/602198863.db2.gz KBUBNKFDSLZWPA-ZDUSSCGKSA-N -1 0 326.396 3.759 20 0 EHADRM CCSCc1ccc(C(=O)Nc2cccc(CNC(=O)[O-])c2)cc1 ZINC000739518707 602198889 /nfs/dbraw/zinc/19/88/89/602198889.db2.gz PODVKNUXJKPCBF-UHFFFAOYSA-N -1 0 344.436 3.960 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)CCc2ccccc2Cl)c1 ZINC000740675309 602201563 /nfs/dbraw/zinc/20/15/63/602201563.db2.gz BHHVTPUHPCDNIQ-UHFFFAOYSA-N -1 0 332.787 3.679 20 0 EHADRM Cc1ccc(SCCC(=O)Nc2cccc(CNC(=O)[O-])c2)cc1 ZINC000740154924 602202596 /nfs/dbraw/zinc/20/25/96/602202596.db2.gz ZTIOVVIQJURCPQ-UHFFFAOYSA-N -1 0 344.436 3.884 20 0 EHADRM COc1cc(F)c(NC(=O)Nc2cccc(NC(=O)[O-])c2)cc1F ZINC000832010299 602210962 /nfs/dbraw/zinc/21/09/62/602210962.db2.gz GFQWNNSVOBFELX-UHFFFAOYSA-N -1 0 337.282 3.707 20 0 EHADRM CCC[C@@](C)(NC(=O)[O-])C(=O)OCc1csc(C2CCCC2)n1 ZINC000739296419 602218140 /nfs/dbraw/zinc/21/81/40/602218140.db2.gz MKPZJYXCMUXLCG-MRXNPFEDSA-N -1 0 340.445 3.670 20 0 EHADRM CC1(C)CCN(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)C1 ZINC000828069352 602224067 /nfs/dbraw/zinc/22/40/67/602224067.db2.gz VFUILIUEYUOUIY-UHFFFAOYSA-N -1 0 342.395 3.567 20 0 EHADRM C[C@@H]1C[C@H](C)N(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)C1 ZINC000828168426 602224189 /nfs/dbraw/zinc/22/41/89/602224189.db2.gz OUXUNKVYLHWJNH-OLZOCXBDSA-N -1 0 342.395 3.565 20 0 EHADRM C[C@@H](C1CC1)N(C)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000827213843 602225319 /nfs/dbraw/zinc/22/53/19/602225319.db2.gz UAWFNYYQKBVAQQ-LBPRGKRZSA-N -1 0 342.395 3.565 20 0 EHADRM Cc1ccc(-c2nnc(SCC3CCN(C(=O)[O-])CC3)o2)cc1C ZINC000740099141 602232320 /nfs/dbraw/zinc/23/23/20/602232320.db2.gz OTPXGMCSTUIMKZ-UHFFFAOYSA-N -1 0 347.440 3.836 20 0 EHADRM Cc1nc(CN[C@](C)(C(=O)[O-])C2CC2)oc1-c1ccc(Cl)cc1 ZINC000832998547 602238647 /nfs/dbraw/zinc/23/86/47/602238647.db2.gz YNDCYWLHZJSSRW-KRWDZBQOSA-N -1 0 334.803 3.646 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)C34CC5CC(CC(C5)C3)C4)ccc21 ZINC000740530490 602243374 /nfs/dbraw/zinc/24/33/74/602243374.db2.gz YSBJGDUHCFWQJO-UHFFFAOYSA-N -1 0 340.423 3.882 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)c3ccccc3OC(F)F)ccc21 ZINC000740471686 602244378 /nfs/dbraw/zinc/24/43/78/602244378.db2.gz ZTPLKHFFKVQKRU-UHFFFAOYSA-N -1 0 348.305 3.581 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)N2CCC3(CCCCC3)CC2)cc1 ZINC000740671814 602244404 /nfs/dbraw/zinc/24/44/04/602244404.db2.gz VHPQOPAJLYFDDB-UHFFFAOYSA-N -1 0 330.428 3.641 20 0 EHADRM COc1ccc(NC(=O)c2[nH]c3ccc(C)cc3c2C)c(C(=O)[O-])c1 ZINC000832403995 602246022 /nfs/dbraw/zinc/24/60/22/602246022.db2.gz FWHVTAIIGHQGGF-UHFFFAOYSA-N -1 0 338.363 3.744 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)O[C@H](c2ncccn2)C2CCCC2)c1 ZINC000833292002 602268268 /nfs/dbraw/zinc/26/82/68/602268268.db2.gz YJDOXKXEYWCZND-HNNXBMFYSA-N -1 0 341.367 3.655 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000829009612 602271607 /nfs/dbraw/zinc/27/16/07/602271607.db2.gz IMLBACBKLZSEBE-HOTGVXAUSA-N -1 0 338.375 3.623 20 0 EHADRM CC(C)C[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000738825949 602276240 /nfs/dbraw/zinc/27/62/40/602276240.db2.gz ZZTUKUVWXDKRBT-HNNXBMFYSA-N -1 0 331.416 3.770 20 0 EHADRM CC1(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)CCCC1 ZINC000827975737 602300160 /nfs/dbraw/zinc/30/01/60/602300160.db2.gz DJKWLGXQSKBDRI-UHFFFAOYSA-N -1 0 327.380 3.822 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)Nc1ccccc1NC(=O)[O-] ZINC000739962198 602300765 /nfs/dbraw/zinc/30/07/65/602300765.db2.gz VAMBZOYWQCJZPS-GFCCVEGCSA-N -1 0 328.368 3.917 20 0 EHADRM COc1ccc(NC(=O)c2cccc3c2ccn3C)cc1NC(=O)[O-] ZINC000739917473 602307560 /nfs/dbraw/zinc/30/75/60/602307560.db2.gz AVLIHDWRPFOAQB-UHFFFAOYSA-N -1 0 339.351 3.529 20 0 EHADRM Cc1c(NC(=O)c2cc(-c3ccc(F)cc3)on2)cccc1C(=O)[O-] ZINC000832856034 602312894 /nfs/dbraw/zinc/31/28/94/602312894.db2.gz MLVPHUDCZXBLGO-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)c2ccc(Cl)c(C)c2)c1OC ZINC000439938381 602313826 /nfs/dbraw/zinc/31/38/26/602313826.db2.gz IVQCFLRQTNPIEV-UHFFFAOYSA-N -1 0 349.770 3.616 20 0 EHADRM O=C([O-])CN(Cc1ncc(-c2cccc(Cl)c2)o1)C1CCCC1 ZINC000319729671 602336810 /nfs/dbraw/zinc/33/68/10/602336810.db2.gz BUENPYHLAFPAHX-UHFFFAOYSA-N -1 0 334.803 3.824 20 0 EHADRM CCCc1sc(C(=O)N(C)c2ncc(C(=O)[O-])s2)cc1CC ZINC000829573768 602338146 /nfs/dbraw/zinc/33/81/46/602338146.db2.gz GNFIQAANIPKKQS-UHFFFAOYSA-N -1 0 338.454 3.694 20 0 EHADRM O=C([O-])c1ccoc1CN1CCCC[C@H]1c1nc2ccccc2o1 ZINC000833336471 602342753 /nfs/dbraw/zinc/34/27/53/602342753.db2.gz RPDBVJVAKXJNDH-AWEZNQCLSA-N -1 0 326.352 3.846 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cncc(F)c1)c1ccc(Cl)cc1Cl ZINC000833351770 602345452 /nfs/dbraw/zinc/34/54/52/602345452.db2.gz UCKLMWIYKQTFPN-GFCCVEGCSA-N -1 0 344.125 3.510 20 0 EHADRM Cc1ccc(CC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)c(Cl)c1 ZINC000832929798 602345992 /nfs/dbraw/zinc/34/59/92/602345992.db2.gz QMDAPSRXSVCEBI-INIZCTEOSA-N -1 0 349.789 3.662 20 0 EHADRM CC(C)c1cccc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)n1 ZINC000827129267 602349667 /nfs/dbraw/zinc/34/96/67/602349667.db2.gz MWZIRMAYBWQSCF-UHFFFAOYSA-N -1 0 326.396 3.820 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)cc1F ZINC000767206124 602357308 /nfs/dbraw/zinc/35/73/08/602357308.db2.gz NGHLAPOOAJWEJL-AAEUAGOBSA-N -1 0 335.281 3.544 20 0 EHADRM Cc1ccc(C)c([C@@H]2CCCN2C(=O)Nc2cc(C(=O)[O-])n(C)c2)c1 ZINC000832925749 602367091 /nfs/dbraw/zinc/36/70/91/602367091.db2.gz CDRXTAJJZJYGJG-INIZCTEOSA-N -1 0 341.411 3.709 20 0 EHADRM CCCOc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000829532602 602369284 /nfs/dbraw/zinc/36/92/84/602369284.db2.gz UUDLKJYSVUQQOS-UHFFFAOYSA-N -1 0 346.358 3.634 20 0 EHADRM CN(CCCc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000830777008 602371450 /nfs/dbraw/zinc/37/14/50/602371450.db2.gz IDJBBSCJFFLULT-UHFFFAOYSA-N -1 0 330.359 3.620 20 0 EHADRM CC[C@](C)(NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000828685097 602371663 /nfs/dbraw/zinc/37/16/63/602371663.db2.gz DWUFQOHHSDWDCU-SFHVURJKSA-N -1 0 330.359 3.971 20 0 EHADRM CC(C)N(CCC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)C(=O)[O-] ZINC000739053507 602374180 /nfs/dbraw/zinc/37/41/80/602374180.db2.gz LHLOEOSWQIQZOG-ZDUSSCGKSA-N -1 0 332.400 3.731 20 0 EHADRM CC(C)N(CCC(=O)N1CCC[C@H]1c1ccc(Cl)cc1)C(=O)[O-] ZINC000738839100 602377583 /nfs/dbraw/zinc/37/75/83/602377583.db2.gz FKIJEYVZNPTPBV-HNNXBMFYSA-N -1 0 338.835 3.782 20 0 EHADRM CCS[C@H]1CCC[C@H](NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000830156972 602378821 /nfs/dbraw/zinc/37/88/21/602378821.db2.gz BVLUJSRUVQVVCB-JQWIXIFHSA-N -1 0 340.420 3.710 20 0 EHADRM Cc1ccc(CN(C(=O)Nc2cc(C(=O)[O-])n(C)c2)C2CC2)cc1C ZINC000832932070 602379035 /nfs/dbraw/zinc/37/90/35/602379035.db2.gz IFSGFEDZKZDYRZ-UHFFFAOYSA-N -1 0 341.411 3.537 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000828891202 602380218 /nfs/dbraw/zinc/38/02/18/602380218.db2.gz SNMYJZPPLROGOZ-MRXNPFEDSA-N -1 0 343.427 3.517 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@@H](Cc2ccccc2)C2CC2)cc1F ZINC000833152861 602380780 /nfs/dbraw/zinc/38/07/80/602380780.db2.gz DCCXBMNCXCFDRC-KRWDZBQOSA-N -1 0 342.370 3.667 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NC2(c3ccc(Cl)cc3)CC2)cc1F ZINC000833153696 602380782 /nfs/dbraw/zinc/38/07/82/602380782.db2.gz PCWVSYUCWFWPCE-UHFFFAOYSA-N -1 0 348.761 3.988 20 0 EHADRM Cc1cc([C@H](C)NC(=O)[C@@H](NC(=O)[O-])c2ccccc2)c(C)s1 ZINC000740058802 602386802 /nfs/dbraw/zinc/38/68/02/602386802.db2.gz FINPWNJITJEPBM-NHYWBVRUSA-N -1 0 332.425 3.551 20 0 EHADRM O=C(CC1CCSCC1)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000317192543 602396903 /nfs/dbraw/zinc/39/69/03/602396903.db2.gz YAYAMPHXLZCJJV-UHFFFAOYSA-N -1 0 339.482 3.797 20 0 EHADRM CC(C)[C@H](CC(=O)N1CCC([C@@H](C)NC(=O)[O-])CC1)c1ccccc1 ZINC000738772241 602406161 /nfs/dbraw/zinc/40/61/61/602406161.db2.gz DLYOUZKSGJBMAN-QAPCUYQASA-N -1 0 346.471 3.711 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(CCSc2ccccc2)n1 ZINC000738822726 602409219 /nfs/dbraw/zinc/40/92/19/602409219.db2.gz KDJDDHLRZXJLHG-CYBMUJFWSA-N -1 0 335.429 3.759 20 0 EHADRM C[C@H](NC(=O)[O-])C1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000739011719 602410172 /nfs/dbraw/zinc/41/01/72/602410172.db2.gz ZDKWPSUMXPLZGQ-VIFPVBQESA-N -1 0 345.226 3.502 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc([C@H](C)OCc2ccccc2)n1 ZINC000738815006 602410685 /nfs/dbraw/zinc/41/06/85/602410685.db2.gz FFVPPEGTJNWOKF-GXTWGEPZSA-N -1 0 333.388 3.702 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)c1nc(C2(NC(=O)[O-])CCCC2)no1 ZINC000738946025 602411255 /nfs/dbraw/zinc/41/12/55/602411255.db2.gz UYSBPEPXNCMKAE-LLVKDONJSA-N -1 0 333.363 3.592 20 0 EHADRM Cc1cccc(O[C@H](C)c2nc(C3(NC(=O)[O-])CCCC3)no2)c1 ZINC000740173146 602412151 /nfs/dbraw/zinc/41/21/51/602412151.db2.gz WKSAQIKYDNYGFR-GFCCVEGCSA-N -1 0 331.372 3.555 20 0 EHADRM O=C([O-])NC1(c2noc(-c3[nH]c4ccccc4c3Cl)n2)CCCC1 ZINC000740547334 602412253 /nfs/dbraw/zinc/41/22/53/602412253.db2.gz DOCPQTMPSCBGJN-UHFFFAOYSA-N -1 0 346.774 3.908 20 0 EHADRM CC[C@H](C)[C@H](C(=O)N1CCC[C@@H](CN(C)C(=O)[O-])C1)c1ccccc1 ZINC000739227214 602450517 /nfs/dbraw/zinc/45/05/17/602450517.db2.gz RRWFNSATOADTCA-BQFCYCMXSA-N -1 0 346.471 3.665 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)Nc1ccc(F)cc1F)c1ccccc1 ZINC000740540501 602453953 /nfs/dbraw/zinc/45/39/53/602453953.db2.gz QIXBAKAFDRUHPH-CQSZACIVSA-N -1 0 334.322 3.692 20 0 EHADRM C[C@@H](NC(=O)CC[C@@H](NC(=O)[O-])c1ccccc1)c1cccs1 ZINC000738960866 602454844 /nfs/dbraw/zinc/45/48/44/602454844.db2.gz MXVYKYFDABPCHF-TZMCWYRMSA-N -1 0 332.425 3.714 20 0 EHADRM Cc1ccccc1[C@H](C)NC(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000740186029 602455459 /nfs/dbraw/zinc/45/54/59/602455459.db2.gz XNZPRRXGXJBNPI-YJBOKZPZSA-N -1 0 340.423 3.961 20 0 EHADRM C[C@H](c1ccco1)N(C)C(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000739061545 602458151 /nfs/dbraw/zinc/45/81/51/602458151.db2.gz WCZVYRZOFNQROQ-HIFRSBDPSA-N -1 0 330.384 3.588 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)N[C@H](c2ccccc2)C2CCC2)cc1 ZINC000740672987 602475956 /nfs/dbraw/zinc/47/59/56/602475956.db2.gz AVIHUWXMYSQQGQ-GOSISDBHSA-N -1 0 338.407 3.725 20 0 EHADRM CCOc1ccc(NC(=O)c2ccc(F)c(NC(=O)[O-])c2)cc1OC ZINC000739502435 602481594 /nfs/dbraw/zinc/48/15/94/602481594.db2.gz WIJVDPMVZBSUIK-UHFFFAOYSA-N -1 0 348.330 3.575 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2ccnn2C2CCCCC2)ccc1F ZINC000740698122 602482303 /nfs/dbraw/zinc/48/23/03/602482303.db2.gz MDBZLEKQTRBLQR-UHFFFAOYSA-N -1 0 346.362 3.870 20 0 EHADRM C[C@@H](NC(=O)c1ccc(F)c(NC(=O)[O-])c1)c1cc(F)ccc1F ZINC000739024121 602483975 /nfs/dbraw/zinc/48/39/75/602483975.db2.gz ONKZRIRAURPJGZ-MRVPVSSYSA-N -1 0 338.285 3.685 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(F)c(NC(=O)[O-])c1)CC2 ZINC000740152065 602488612 /nfs/dbraw/zinc/48/86/12/602488612.db2.gz BKPBSGOACQMVEL-HNNXBMFYSA-N -1 0 328.343 3.641 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CC[C@@H](c3cccc(F)c3)C2)ccc1F ZINC000740692352 602488633 /nfs/dbraw/zinc/48/86/33/602488633.db2.gz ANNMHMGIUWSRRY-CYBMUJFWSA-N -1 0 346.333 3.684 20 0 EHADRM Cc1ncsc1CNC(=O)c1cc2ccccc2cc1NC(=O)[O-] ZINC000740247328 602505920 /nfs/dbraw/zinc/50/59/20/602505920.db2.gz SXAWMXNIQHCWLP-UHFFFAOYSA-N -1 0 341.392 3.625 20 0 EHADRM Cc1cccc(C2(C(=O)Nc3cccc(CNC(=O)[O-])c3)CCC2)c1 ZINC000740166886 602514639 /nfs/dbraw/zinc/51/46/39/602514639.db2.gz VGOWTYPWVAQGSS-UHFFFAOYSA-N -1 0 338.407 3.823 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)c2occc2-c2ccccc2)c1 ZINC000740679047 602516275 /nfs/dbraw/zinc/51/62/75/602516275.db2.gz IGFSWOIKXSAMAG-UHFFFAOYSA-N -1 0 336.347 3.967 20 0 EHADRM CN(C(=O)[O-])C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000737933536 602520952 /nfs/dbraw/zinc/52/09/52/602520952.db2.gz ROIYFAWYBQMNJB-UHFFFAOYSA-N -1 0 338.407 3.568 20 0 EHADRM CCC[C@H](NC(=O)N1CCC(N(C)C(=O)[O-])CC1)C1CCCCC1 ZINC000737802451 602563112 /nfs/dbraw/zinc/56/31/12/602563112.db2.gz WEBGXNKSCSHLCR-INIZCTEOSA-N -1 0 339.480 3.519 20 0 EHADRM CN(CC(=O)Nc1ccccc1-c1nc2ccccc2s1)C(=O)[O-] ZINC000739627307 602569159 /nfs/dbraw/zinc/56/91/59/602569159.db2.gz OCPRORVYJVPHIJ-UHFFFAOYSA-N -1 0 341.392 3.512 20 0 EHADRM CC(C)CCc1ccccc1NC(=O)NC1CCN(C(=O)[O-])CC1 ZINC000738819239 602593524 /nfs/dbraw/zinc/59/35/24/602593524.db2.gz FJVHWBTUDSPVSX-UHFFFAOYSA-N -1 0 333.432 3.539 20 0 EHADRM Cc1cc(NC(=O)N2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)ccc1F ZINC000740086084 602597622 /nfs/dbraw/zinc/59/76/22/602597622.db2.gz JWWRAQWDPQWUNR-CJNGLKHVSA-N -1 0 349.406 3.520 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(NC(=O)[O-])cc1)c1c(F)cccc1F ZINC000738988099 602600756 /nfs/dbraw/zinc/60/07/56/602600756.db2.gz MLLWSZHTNHSXMX-SECBINFHSA-N -1 0 335.310 3.937 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N(Cc2ccccc2)C2CC2)cc1 ZINC000740709641 602601719 /nfs/dbraw/zinc/60/17/19/602601719.db2.gz PJJOYVADLNBMFB-UHFFFAOYSA-N -1 0 325.368 3.973 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(NC(=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000738988861 602602682 /nfs/dbraw/zinc/60/26/82/602602682.db2.gz PFXPZDPQXVITRQ-SECBINFHSA-N -1 0 335.310 3.937 20 0 EHADRM COc1ccc(CCCNC(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000739898015 602604492 /nfs/dbraw/zinc/60/44/92/602604492.db2.gz DMGGRODBEBYJNT-UHFFFAOYSA-N -1 0 343.383 3.539 20 0 EHADRM CN(Cc1cccs1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739719692 602606161 /nfs/dbraw/zinc/60/61/61/602606161.db2.gz UKYWJUUWBSMBRQ-UHFFFAOYSA-N -1 0 345.424 3.843 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2)c1ccccc1 ZINC000738992030 602609240 /nfs/dbraw/zinc/60/92/40/602609240.db2.gz WBSQJYPJFVSYJD-CYBMUJFWSA-N -1 0 339.395 3.605 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)Nc1cc(F)ccc1F)c1ccccc1 ZINC000740540082 602643090 /nfs/dbraw/zinc/64/30/90/602643090.db2.gz MJSHWZWQVWAOBR-AWEZNQCLSA-N -1 0 334.322 3.692 20 0 EHADRM C[C@@H](OCC1CC1)C(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000739047760 602643535 /nfs/dbraw/zinc/64/35/35/602643535.db2.gz JFRITOGITFCNNG-MRVPVSSYSA-N -1 0 346.305 3.549 20 0 EHADRM CC(C)c1ccc(S(=O)(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738877288 602645230 /nfs/dbraw/zinc/64/52/30/602645230.db2.gz RYZSTCVVIOFUFL-UHFFFAOYSA-N -1 0 334.397 3.701 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[O-])cc2)cc1Cl ZINC000740148802 602645672 /nfs/dbraw/zinc/64/56/72/602645672.db2.gz XWKKUMCKZSGBPZ-UHFFFAOYSA-N -1 0 340.788 3.539 20 0 EHADRM C[C@H](NC(=O)C1CCC(NC(=O)[O-])CC1)c1csc2ccccc21 ZINC000738954740 602675886 /nfs/dbraw/zinc/67/58/86/602675886.db2.gz NXVWAGUQALXMHM-HIFPTAJRSA-N -1 0 346.452 3.905 20 0 EHADRM Cc1ccc(F)c2c1N(C(=O)c1ccc(F)c(NC(=O)[O-])c1)CCC2 ZINC000740129599 602685692 /nfs/dbraw/zinc/68/56/92/602685692.db2.gz KLVDTCPQZKMCNU-UHFFFAOYSA-N -1 0 346.333 3.956 20 0 EHADRM C[C@H](NC(=O)[O-])C1CCN(c2cc3ccccc3c(Cl)n2)CC1 ZINC000739015349 602686576 /nfs/dbraw/zinc/68/65/76/602686576.db2.gz AKLCHRQINVZNGM-NSHDSACASA-N -1 0 333.819 3.761 20 0 EHADRM CC(C)N(C)c1cccc(NC(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000736457417 602713329 /nfs/dbraw/zinc/71/33/29/602713329.db2.gz IUHFIWKFCLLYFO-UHFFFAOYSA-N -1 0 327.384 3.873 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)CCCCCCNC(=O)[O-] ZINC000739080038 602764748 /nfs/dbraw/zinc/76/47/48/602764748.db2.gz BCLGKPMHZQURQQ-NVXWUHKLSA-N -1 0 332.444 3.609 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)CCC(C)(C)NC(=O)[O-] ZINC000738942562 602809165 /nfs/dbraw/zinc/80/91/65/602809165.db2.gz HMPAMNSFSKOFFP-LBPRGKRZSA-N -1 0 340.851 3.556 20 0 EHADRM Cc1csc(-c2ccc(NC(=O)C[C@H]3CCCN3C(=O)[O-])cc2)n1 ZINC000830654941 602809433 /nfs/dbraw/zinc/80/94/33/602809433.db2.gz CVDCTPFWVWZUBG-CQSZACIVSA-N -1 0 345.424 3.590 20 0 EHADRM Cc1cc(-c2csc(CN(C)C(=O)[O-])n2)c(C)n1-c1nccs1 ZINC000740050609 602810746 /nfs/dbraw/zinc/81/07/46/602810746.db2.gz ZNIMJTWTLQKQAI-UHFFFAOYSA-N -1 0 348.453 3.784 20 0 EHADRM CCC[C@H](NC(=O)C[C@H](C)NC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000826745424 602817202 /nfs/dbraw/zinc/81/72/02/602817202.db2.gz XHJUEZARMHKXHK-GWCFXTLKSA-N -1 0 346.349 3.709 20 0 EHADRM CC(C)[C@H](NC(=O)C[C@H](C)NC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000824615491 602817262 /nfs/dbraw/zinc/81/72/62/602817262.db2.gz UPJPGZWLXUCZDH-HZMBPMFUSA-N -1 0 346.349 3.565 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N2CCC[C@H](CN(C)C(=O)[O-])C2)cc1 ZINC000739545091 602825790 /nfs/dbraw/zinc/82/57/90/602825790.db2.gz QACQQUAAGDYRIM-NVXWUHKLSA-N -1 0 346.471 3.591 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)NCC[C@H]2CCN(C(=O)[O-])C2)cc1 ZINC000738875413 602834889 /nfs/dbraw/zinc/83/48/89/602834889.db2.gz GNJKSNQYAJLJGU-HOTGVXAUSA-N -1 0 346.471 3.810 20 0 EHADRM Cc1ccc(C(=O)NCC(C)(C)c2ccc(F)cc2)cc1NC(=O)[O-] ZINC000830211377 602846168 /nfs/dbraw/zinc/84/61/68/602846168.db2.gz OZPXIYPSEDRJRF-UHFFFAOYSA-N -1 0 344.386 3.932 20 0 EHADRM CCC(CC)CNC(=O)c1cc(Cl)c(NC(=O)[O-])cc1OC ZINC000826571249 602861567 /nfs/dbraw/zinc/86/15/67/602861567.db2.gz DTDMJZMDJLRTQU-UHFFFAOYSA-N -1 0 328.796 3.605 20 0 EHADRM CCCCCC[C@@H](C)C(=O)N1CCC([C@H]2CCCN2C(=O)[O-])CC1 ZINC000739328976 602868546 /nfs/dbraw/zinc/86/85/46/602868546.db2.gz GUNRDIBIXJFQCF-NVXWUHKLSA-N -1 0 338.492 3.974 20 0 EHADRM Cc1ccc(C(=O)Oc2ccccc2OC(F)F)cc1NC(=O)[O-] ZINC000830244547 602871137 /nfs/dbraw/zinc/87/11/37/602871137.db2.gz CHEHVVDIKBJDAL-UHFFFAOYSA-N -1 0 337.278 3.906 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)c2ccc(F)c(NC(=O)[O-])c2)o1 ZINC000740117876 602881961 /nfs/dbraw/zinc/88/19/61/602881961.db2.gz LCPHPMOSYCEWDM-CQSZACIVSA-N -1 0 332.331 3.794 20 0 EHADRM CN(C(=O)[O-])C1CCN(C(=O)C2CCC(c3ccccc3)CC2)CC1 ZINC000827835643 602884081 /nfs/dbraw/zinc/88/40/81/602884081.db2.gz OQIMQPGRNZZBNS-UHFFFAOYSA-N -1 0 344.455 3.561 20 0 EHADRM CC(C)CCc1ccc(NC(=O)N2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)cc1 ZINC000738822669 602917579 /nfs/dbraw/zinc/91/75/79/602917579.db2.gz QCKPSCFBIILMOP-WMLDXEAASA-N -1 0 347.459 3.785 20 0 EHADRM CC(C)(CCC(=O)O[C@@H](c1ccccc1)c1ccncc1)NC(=O)[O-] ZINC000738743507 602927378 /nfs/dbraw/zinc/92/73/78/602927378.db2.gz CLSOWUFBKXXPFS-KRWDZBQOSA-N -1 0 342.395 3.541 20 0 EHADRM CCOc1ccccc1NC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739510367 602950646 /nfs/dbraw/zinc/95/06/46/602950646.db2.gz PASJOWJKKBLQSD-UHFFFAOYSA-N -1 0 341.367 3.770 20 0 EHADRM CCN(Cc1cccc(NC(=O)C[C@H](C)n2cccc2)c1)C(=O)[O-] ZINC000739442258 602952896 /nfs/dbraw/zinc/95/28/96/602952896.db2.gz SMXNQCAEIJMHRW-AWEZNQCLSA-N -1 0 329.400 3.578 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)N1CCC([C@@H](C)NC(=O)[O-])CC1)c1ccccc1 ZINC000739230817 602956773 /nfs/dbraw/zinc/95/67/73/602956773.db2.gz ZNMUXZGZKNQZBQ-HDMKZQKVSA-N -1 0 346.471 3.711 20 0 EHADRM CCN(C(=O)CC(C)(C)NC(=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000739377962 602968500 /nfs/dbraw/zinc/96/85/00/602968500.db2.gz OOFGAUPRCDVFPV-GFCCVEGCSA-N -1 0 332.400 3.779 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)C=Cc2ccnc3ccccc23)cc1 ZINC000738667255 602968596 /nfs/dbraw/zinc/96/85/96/602968596.db2.gz MZACAXMAQORQKA-YHYXMXQVSA-N -1 0 334.331 3.944 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)[C@@H]2CCSc3ccccc32)cc1 ZINC000738666989 602968606 /nfs/dbraw/zinc/96/86/06/602968606.db2.gz KETUSECYOZHKSG-CQSZACIVSA-N -1 0 329.377 3.962 20 0 EHADRM O=C([O-])N1CC[C@@H](c2nc(-c3ccc(-c4ccccc4)cc3)no2)C1 ZINC000740508901 602972894 /nfs/dbraw/zinc/97/28/94/602972894.db2.gz GPYVSGNMBAVPLR-MRXNPFEDSA-N -1 0 335.363 3.871 20 0 EHADRM O=C([O-])N1CC[C@@H](c2nc(C(c3ccccc3)c3ccccc3)no2)C1 ZINC000740509286 602972949 /nfs/dbraw/zinc/97/29/49/602972949.db2.gz OIPCEVLYSNPLPZ-MRXNPFEDSA-N -1 0 349.390 3.717 20 0 EHADRM CN(CCOc1cccc(Cl)c1)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000737448544 602979833 /nfs/dbraw/zinc/97/98/33/602979833.db2.gz CMODUXYEBDVIJD-UHFFFAOYSA-N -1 0 348.786 3.581 20 0 EHADRM CN(Cc1ccccc1-c1ccccc1)C(=O)CC(C)(C)NC(=O)[O-] ZINC000739712621 602980915 /nfs/dbraw/zinc/98/09/15/602980915.db2.gz YRYZUFGMJJISNP-UHFFFAOYSA-N -1 0 340.423 3.748 20 0 EHADRM CC(C)Sc1c(Cl)cccc1NC(=O)C[C@@H](C)NC(=O)[O-] ZINC000824702186 602986287 /nfs/dbraw/zinc/98/62/87/602986287.db2.gz BPNCGIWCTKDVCK-SECBINFHSA-N -1 0 330.837 3.825 20 0 EHADRM CS[C@@H]1CCC[C@H](NC(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])C1 ZINC000739996770 602997696 /nfs/dbraw/zinc/99/76/96/602997696.db2.gz CJOKFUWZJOSTTR-GXTWGEPZSA-N -1 0 349.456 3.523 20 0 EHADRM COc1cccc([C@H](C)c2nc([C@@H](CC(C)C)NC(=O)[O-])no2)c1 ZINC000739946932 603001698 /nfs/dbraw/zinc/00/16/98/603001698.db2.gz ZIJQLVCLMSLVHJ-SMDDNHRTSA-N -1 0 333.388 3.585 20 0 EHADRM C[C@@H](NC(=O)CC(C)(C)NC(=O)[O-])c1cccc(Cl)c1Cl ZINC000738957995 603004715 /nfs/dbraw/zinc/00/47/15/603004715.db2.gz KXOYHZBQPRBLMD-MRVPVSSYSA-N -1 0 333.215 3.607 20 0 EHADRM C[C@H](C(=O)N1C2CCCC1CCC2)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823662347 603006746 /nfs/dbraw/zinc/00/67/46/603006746.db2.gz NHVLJJLYHAVTPU-LYAPFXNSSA-N -1 0 330.428 3.565 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCc3c(Cl)cccc3C2)cc1 ZINC000738661671 603006782 /nfs/dbraw/zinc/00/67/82/603006782.db2.gz NUIKETAVWUZEQU-UHFFFAOYSA-N -1 0 330.771 3.628 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@@H]1C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000740572763 603018427 /nfs/dbraw/zinc/01/84/27/603018427.db2.gz RRQUVPBOSBCBRL-IRXDYDNUSA-N -1 0 339.395 3.805 20 0 EHADRM Cc1cc(C)c(NC(=O)CNc2cc(NC(=O)[O-])ccc2F)c(C)c1 ZINC000740065361 603020226 /nfs/dbraw/zinc/02/02/26/603020226.db2.gz JQPYVRYRBVHOLU-UHFFFAOYSA-N -1 0 345.374 3.891 20 0 EHADRM C[C@H](Cc1ccsc1)NC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000738948056 603032453 /nfs/dbraw/zinc/03/24/53/603032453.db2.gz JBKAVBQVLLUJJD-SECBINFHSA-N -1 0 337.376 3.730 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N[C@H]2C[C@H]2c2ccccc2)c1 ZINC000740707654 603038485 /nfs/dbraw/zinc/03/84/85/603038485.db2.gz RZLVLWJLOPKWGX-JSGCOSHPSA-N -1 0 329.331 3.593 20 0 EHADRM COc1ccc([C@@H](C)C(=O)Oc2ccc(N(C)C(=O)[O-])cc2)cc1 ZINC000829294247 603041456 /nfs/dbraw/zinc/04/14/56/603041456.db2.gz QCWOAZATDIGLPF-GFCCVEGCSA-N -1 0 329.352 3.519 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N2CCC[C@H]2c2ccccn2)c1 ZINC000740704730 603043490 /nfs/dbraw/zinc/04/34/90/603043490.db2.gz DMPAUWBNRVLNFJ-HNNXBMFYSA-N -1 0 344.346 3.680 20 0 EHADRM O=C([O-])NCCCCCCc1nc(-c2nccc3ccccc32)no1 ZINC000740648538 603047200 /nfs/dbraw/zinc/04/72/00/603047200.db2.gz RQGSQIDSUSOBJD-UHFFFAOYSA-N -1 0 340.383 3.655 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)c2cc(-c3ccccc3)no2)cc1 ZINC000827914292 603048187 /nfs/dbraw/zinc/04/81/87/603048187.db2.gz LZVSOKWFDPVRMK-UHFFFAOYSA-N -1 0 338.319 3.675 20 0 EHADRM Cc1nn(C(C)(C)C)c(C)c1C(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000830841418 603049239 /nfs/dbraw/zinc/04/92/39/603049239.db2.gz ZGFVIUZKRDQUGR-UHFFFAOYSA-N -1 0 345.399 3.588 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)CCOc2cccc(Cl)c2)cc1 ZINC000827907753 603051656 /nfs/dbraw/zinc/05/16/56/603051656.db2.gz CKNVAWXBQGHNMU-UHFFFAOYSA-N -1 0 349.770 3.829 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Oc2ccc(N(C)C(=O)[O-])cc2)cc1 ZINC000830175593 603052996 /nfs/dbraw/zinc/05/29/96/603052996.db2.gz BJIJUJLGZJWFIY-UHFFFAOYSA-N -1 0 341.363 3.678 20 0 EHADRM C[C@H]1CN(C(=O)c2cc3ccccc3cc2NC(=O)[O-])C[C@H](C)S1 ZINC000826034784 603053895 /nfs/dbraw/zinc/05/38/95/603053895.db2.gz MFLVMLWVVGWZQU-RYUDHWBXSA-N -1 0 344.436 3.896 20 0 EHADRM O=C([O-])N1CCC[C@H]1C(=O)Nc1cccc(Nc2ccccc2)c1 ZINC000740469105 603054390 /nfs/dbraw/zinc/05/43/90/603054390.db2.gz NICJJOPKKJJOGY-INIZCTEOSA-N -1 0 325.368 3.511 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)C2CCC(NC(=O)[O-])CC2)C1 ZINC000825851327 603061081 /nfs/dbraw/zinc/06/10/81/603061081.db2.gz HMPAGWRTUNLRCV-WNZJFKNXSA-N -1 0 348.418 3.562 20 0 EHADRM CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000736250947 603067086 /nfs/dbraw/zinc/06/70/86/603067086.db2.gz NGJJWNGOSKOXPN-SWLSCSKDSA-N -1 0 349.431 3.739 20 0 EHADRM CCN(Cc1nc(-c2ccc(NC(C)=O)cc2)c(C)s1)C(=O)[O-] ZINC000739446457 603071861 /nfs/dbraw/zinc/07/18/61/603071861.db2.gz XBTOHPHVULZXLS-UHFFFAOYSA-N -1 0 333.413 3.577 20 0 EHADRM CCC[C@](C)(NC(=O)[O-])C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000826720051 603081685 /nfs/dbraw/zinc/08/16/85/603081685.db2.gz DPLNDSFSUPAHIN-AWEZNQCLSA-N -1 0 332.322 3.556 20 0 EHADRM CC(C)C[C@@H](NC(=O)NC1CCC(NC(=O)[O-])CC1)c1ccccc1 ZINC000738805370 603101740 /nfs/dbraw/zinc/10/17/40/603101740.db2.gz AABJLGPDHHUCGC-OFLPRAFFSA-N -1 0 347.459 3.652 20 0 EHADRM Cc1cccc(NC(=O)CNc2ccc([C@H](C)NC(=O)[O-])cc2)c1C ZINC000740170381 603102549 /nfs/dbraw/zinc/10/25/49/603102549.db2.gz LUZFTEAGJFWOJP-AWEZNQCLSA-N -1 0 341.411 3.683 20 0 EHADRM C[C@@H](CC1CCCC1)C(=O)N1CCC([C@H]2CCCN2C(=O)[O-])CC1 ZINC000738896286 603109074 /nfs/dbraw/zinc/10/90/74/603109074.db2.gz NEOLJDYKZCLNDO-WMLDXEAASA-N -1 0 336.476 3.584 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NC2(C(F)(F)F)CCCCC2)cc1 ZINC000738661483 603115328 /nfs/dbraw/zinc/11/53/28/603115328.db2.gz LRUAJRCCDZUALH-UHFFFAOYSA-N -1 0 330.306 3.772 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)NC1CCC(NC(=O)[O-])CC1 ZINC000740160887 603135927 /nfs/dbraw/zinc/13/59/27/603135927.db2.gz ZCBGOQRTRMRNOQ-UHFFFAOYSA-N -1 0 333.432 3.819 20 0 EHADRM O=C([O-])NC1CCC(NC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000740555471 603136621 /nfs/dbraw/zinc/13/66/21/603136621.db2.gz LSLUAONXYIJSIR-UHFFFAOYSA-N -1 0 346.214 3.694 20 0 EHADRM CCN(Cc1cccc(NC(=O)N2CCCCCCC2)c1)C(=O)[O-] ZINC000739444816 603142993 /nfs/dbraw/zinc/14/29/93/603142993.db2.gz YKXGPBONHKQEKQ-UHFFFAOYSA-N -1 0 333.432 3.985 20 0 EHADRM Cc1ccc2cccc(-c3nc([C@@H](CC(C)C)NC(=O)[O-])no3)c2n1 ZINC000740156270 603146578 /nfs/dbraw/zinc/14/65/78/603146578.db2.gz YEGBJRXRNJMUCK-CQSZACIVSA-N -1 0 340.383 3.948 20 0 EHADRM CCc1cccc(C)c1NC(=O)COc1ccc(NC(=O)[O-])cc1 ZINC000737908196 603154661 /nfs/dbraw/zinc/15/46/61/603154661.db2.gz QLWLUPMSCLHNTP-UHFFFAOYSA-N -1 0 328.368 3.665 20 0 EHADRM Cc1ccccc1[C@H](C)NC(=O)[C@H](C)Oc1ccc(NC(=O)[O-])cc1 ZINC000830555158 603156005 /nfs/dbraw/zinc/15/60/05/603156005.db2.gz QXAAMQDLNJMGML-KBPBESRZSA-N -1 0 342.395 3.730 20 0 EHADRM Cc1ccc(NC(=O)[C@H](C)Oc2ccc(NC(=O)[O-])cc2)cc1F ZINC000830359118 603158983 /nfs/dbraw/zinc/15/89/83/603158983.db2.gz VKNQXILTJJNGPL-NSHDSACASA-N -1 0 332.331 3.630 20 0 EHADRM CCN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739439572 603165832 /nfs/dbraw/zinc/16/58/32/603165832.db2.gz MCKFJHROOWXGSR-HIFRSBDPSA-N -1 0 338.835 3.515 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)c2cc3occc3s2)c1 ZINC000739917774 603169505 /nfs/dbraw/zinc/16/95/05/603169505.db2.gz LGFXGNMTCPSKHU-UHFFFAOYSA-N -1 0 332.337 3.845 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)C[C@H](C)c2cccnc2)cc1 ZINC000824685640 603172778 /nfs/dbraw/zinc/17/27/78/603172778.db2.gz ONNKJRAWCSASRY-QWHCGFSZSA-N -1 0 327.384 3.543 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)CCC(=O)c2cccs2)cc1 ZINC000825418648 603174889 /nfs/dbraw/zinc/17/48/89/603174889.db2.gz VGMBKDYEZCGJME-LLVKDONJSA-N -1 0 346.408 3.678 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)N2CCCCC[C@H]2c2ccccc2)C1 ZINC000740565532 603174961 /nfs/dbraw/zinc/17/49/61/603174961.db2.gz RCZSTSLHHGXOTI-KSZLIROESA-N -1 0 344.455 3.957 20 0 EHADRM Cc1cc(OC(C)C)ccc1NC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000740088209 603176201 /nfs/dbraw/zinc/17/62/01/603176201.db2.gz FQAJWVSGKCBCPB-KBPBESRZSA-N -1 0 334.416 3.547 20 0 EHADRM CN(Cc1ccccc1NC(=O)[C@@H]1C[C@@H]1C1CCCCC1)C(=O)[O-] ZINC000739710599 603184395 /nfs/dbraw/zinc/18/43/95/603184395.db2.gz OGRPOIWBTXNEMB-HZPDHXFCSA-N -1 0 330.428 3.951 20 0 EHADRM COc1ccc(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)c(C)c1 ZINC000829283901 603185284 /nfs/dbraw/zinc/18/52/84/603185284.db2.gz AKRRLIDPIDDIKD-GFCCVEGCSA-N -1 0 328.368 3.585 20 0 EHADRM Cc1ccccc1C1(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)CC1 ZINC000830559169 603192454 /nfs/dbraw/zinc/19/24/54/603192454.db2.gz HYYLJPSOHNKCJE-AWEZNQCLSA-N -1 0 338.407 3.994 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)cc1 ZINC000738663013 603196057 /nfs/dbraw/zinc/19/60/57/603196057.db2.gz GDPQPDVBZGFFIB-STQMWFEESA-N -1 0 332.306 3.797 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2ccc(Cl)cn2)c(Cl)c1 ZINC000740700639 603206036 /nfs/dbraw/zinc/20/60/36/603206036.db2.gz WXXKCMSBDSYSOH-UHFFFAOYSA-N -1 0 326.139 3.731 20 0 EHADRM C[C@H](C(=O)Nc1ccc(F)cc1F)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823715216 603216273 /nfs/dbraw/zinc/21/62/73/603216273.db2.gz RGGJKOMFLHYHJM-ZUZCIYMTSA-N -1 0 334.322 3.548 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)cc1 ZINC000740116567 603216470 /nfs/dbraw/zinc/21/64/70/603216470.db2.gz ABELORDYNNIMLJ-KURKYZTESA-N -1 0 344.455 3.875 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)Nc2ccc(CC(F)(F)F)cc2)C1 ZINC000740568409 603217412 /nfs/dbraw/zinc/21/74/12/603217412.db2.gz FMCKHPUDIYIYAZ-DGCLKSJQSA-N -1 0 344.333 3.556 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739088390 603224893 /nfs/dbraw/zinc/22/48/93/603224893.db2.gz ZXTXDJSLZFMMOV-ILMPWQCYSA-N -1 0 344.455 3.606 20 0 EHADRM Cc1ccc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)cc1NC(=O)[O-] ZINC000830203888 603235245 /nfs/dbraw/zinc/23/52/45/603235245.db2.gz BBEZNXUXWPYDCH-SNVBAGLBSA-N -1 0 334.322 3.854 20 0 EHADRM C[C@@H](NC(=O)c1ccc(CNC(=O)[O-])o1)c1cccc2ccccc21 ZINC000825460115 603237015 /nfs/dbraw/zinc/23/70/15/603237015.db2.gz XJTAKQUMJWPVER-GFCCVEGCSA-N -1 0 338.363 3.691 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NC2(c3ccccc3)CC2)c(Cl)c1 ZINC000740697574 603239074 /nfs/dbraw/zinc/23/90/74/603239074.db2.gz FUBVXVCDICYAGN-UHFFFAOYSA-N -1 0 330.771 3.849 20 0 EHADRM CS[C@H]1CCC[C@@H](NC(=O)c2ccc(NC(=O)[O-])cc2Cl)C1 ZINC000740003394 603252388 /nfs/dbraw/zinc/25/23/88/603252388.db2.gz WOKSJQBIRYSVPE-KOLCDFICSA-N -1 0 342.848 3.834 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-] ZINC000830472413 603252670 /nfs/dbraw/zinc/25/26/70/603252670.db2.gz PLNXFFJOSKXTPZ-ZFWWWQNUSA-N -1 0 333.432 3.676 20 0 EHADRM COCc1cccc(NC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)c1 ZINC000829039767 603270956 /nfs/dbraw/zinc/27/09/56/603270956.db2.gz BLDGKGCDDZIJBK-LBPRGKRZSA-N -1 0 343.383 3.806 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)Nc2ccc3c(c2)CCO3)cc1 ZINC000825442762 603272055 /nfs/dbraw/zinc/27/20/55/603272055.db2.gz PBWOKZSODKNGCW-NSHDSACASA-N -1 0 341.367 3.594 20 0 EHADRM CCc1ccc([C@@H]2CCCCN2C(=O)C2CCC(NC(=O)[O-])CC2)o1 ZINC000739544269 603277991 /nfs/dbraw/zinc/27/79/91/603277991.db2.gz ROVAWXNSSXIBTD-XUJLQICISA-N -1 0 348.443 3.722 20 0 EHADRM CCC[C@H](CCc1ccccc1)NC(=O)C1CCC(NC(=O)[O-])CC1 ZINC000739305029 603279802 /nfs/dbraw/zinc/27/98/02/603279802.db2.gz KUKOYSSIXZRXGO-LXPRWKDFSA-N -1 0 346.471 3.731 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)Nc2ccc(Cl)c3cccnc23)o1 ZINC000832706016 603280111 /nfs/dbraw/zinc/28/01/11/603280111.db2.gz SPGIOTVDHGGGNK-UHFFFAOYSA-N -1 0 345.742 3.501 20 0 EHADRM CC[C@@]1(C)CCCN(C(=O)Nc2ccc(NC(=O)[O-])c(OC)c2)C1 ZINC000826643693 603281411 /nfs/dbraw/zinc/28/14/11/603281411.db2.gz ASGQCDNIUYYBDI-KRWDZBQOSA-N -1 0 335.404 3.829 20 0 EHADRM O=C([O-])N1CC[C@H](C(=O)N2CCC[C@@H]2c2cccc3ccccc32)C1 ZINC000740493125 603286903 /nfs/dbraw/zinc/28/69/03/603286903.db2.gz DLDOZGULBUCMNP-MAUKXSAKSA-N -1 0 338.407 3.503 20 0 EHADRM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736759353 603293898 /nfs/dbraw/zinc/29/38/98/603293898.db2.gz IRSBITNPBPAEAO-SWLSCSKDSA-N -1 0 342.370 3.934 20 0 EHADRM Cc1noc2ncc(NC(=O)c3ccc(NC(=O)[O-])cc3Cl)cc12 ZINC000740266761 603296674 /nfs/dbraw/zinc/29/66/74/603296674.db2.gz JOSAWJKKFZTPJP-UHFFFAOYSA-N -1 0 346.730 3.527 20 0 EHADRM Cc1cc(CNC(=O)[O-])ccc1N(C(=O)c1ccc(Cl)o1)C1CC1 ZINC000740077370 603297073 /nfs/dbraw/zinc/29/70/73/603297073.db2.gz SDNYOMWJRFIXOV-UHFFFAOYSA-N -1 0 348.786 3.818 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(CNC(=O)[O-])o1)c1cccc(Cl)c1 ZINC000826613067 603301088 /nfs/dbraw/zinc/30/10/88/603301088.db2.gz FIGZFVYWPUAKSN-CYBMUJFWSA-N -1 0 336.775 3.582 20 0 EHADRM O=C([O-])NC[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(C(F)F)c1 ZINC000832514839 603302966 /nfs/dbraw/zinc/30/29/66/603302966.db2.gz OOMROTDQYPZWBK-YPMHNXCESA-N -1 0 341.358 3.572 20 0 EHADRM C[C@@H](COCc1ccccc1)NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000825009671 603310104 /nfs/dbraw/zinc/31/01/04/603310104.db2.gz RCGXNCUTNVSJOM-ZDUSSCGKSA-N -1 0 343.383 3.503 20 0 EHADRM CCSCC[C@H](C)N(C)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000827505098 603310528 /nfs/dbraw/zinc/31/05/28/603310528.db2.gz ZWYLHKKNSBKKNS-NSHDSACASA-N -1 0 325.434 3.772 20 0 EHADRM CCC(CC)c1cc(CNC(=O)Nc2ccc(NC(=O)[O-])cc2)on1 ZINC000826575995 603310546 /nfs/dbraw/zinc/31/05/46/603310546.db2.gz PEBRTBWXCUCSDQ-UHFFFAOYSA-N -1 0 346.387 3.990 20 0 EHADRM CCO[C@H]1C[C@@H](NC(=O)Nc2ccc(NC(=O)[O-])cc2)C12CCCC2 ZINC000827377837 603313113 /nfs/dbraw/zinc/31/31/13/603313113.db2.gz CETKOMMQNBWRNJ-CABCVRRESA-N -1 0 347.415 3.636 20 0 EHADRM CCc1ccc(CCNC(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000737260492 603318601 /nfs/dbraw/zinc/31/86/01/603318601.db2.gz PTKNWCWYGQDTTN-UHFFFAOYSA-N -1 0 327.384 3.703 20 0 EHADRM CCC[C@H](CC1CCCCC1)C(=O)N1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739306658 603320055 /nfs/dbraw/zinc/32/00/55/603320055.db2.gz RHLLZXDGFQDIQS-UAGQMJEPSA-N -1 0 338.492 3.878 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)N2CCC[C@@H]2c2cccs2)c1 ZINC000740676472 603321035 /nfs/dbraw/zinc/32/10/35/603321035.db2.gz OWZQEQBGRJWGGL-CQSZACIVSA-N -1 0 345.424 3.885 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(N(C)C)cc2C)cc1NC(=O)[O-] ZINC000830230969 603335964 /nfs/dbraw/zinc/33/59/64/603335964.db2.gz UOFRJNIGBAPNFG-UHFFFAOYSA-N -1 0 327.384 3.712 20 0 EHADRM CCN(Cc1ccccc1NC(=O)NCC(C1CC1)C1CC1)C(=O)[O-] ZINC000827186868 603337187 /nfs/dbraw/zinc/33/71/87/603337187.db2.gz HQFYGJQTPVVXMG-UHFFFAOYSA-N -1 0 345.443 3.744 20 0 EHADRM CCN(CC)c1ccc(NC(=O)c2ccc(C)c(NC(=O)[O-])c2)cn1 ZINC000827052218 603341487 /nfs/dbraw/zinc/34/14/87/603341487.db2.gz OIWAPSKEIVZATQ-UHFFFAOYSA-N -1 0 342.399 3.578 20 0 EHADRM CCN(Cc1cccc(NC(=O)N(C)Cc2cccs2)c1)C(=O)[O-] ZINC000739441153 603341985 /nfs/dbraw/zinc/34/19/85/603341985.db2.gz DJDDDVWMIXWZAN-UHFFFAOYSA-N -1 0 347.440 3.912 20 0 EHADRM C[C@@H]1CCC[C@@H](N(C)C(=O)Nc2cccc(CN(C)C(=O)[O-])c2)C1 ZINC000739095784 603355723 /nfs/dbraw/zinc/35/57/23/603355723.db2.gz XRQBXASEABMJIZ-CZUORRHYSA-N -1 0 333.432 3.839 20 0 EHADRM C[C@@H](CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1)NC(=O)[O-] ZINC000824584336 603357340 /nfs/dbraw/zinc/35/73/40/603357340.db2.gz YOOWXXJAOIRFID-XJKSGUPXSA-N -1 0 332.444 3.694 20 0 EHADRM CCc1csc(NC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)n1 ZINC000827621637 603361748 /nfs/dbraw/zinc/36/17/48/603361748.db2.gz TXOLAPCRFIHTBS-VIFPVBQESA-N -1 0 334.401 3.678 20 0 EHADRM CN(Cc1cccc(NC(=O)N[C@@H]2CCCc3occc32)c1)C(=O)[O-] ZINC000739712912 603362199 /nfs/dbraw/zinc/36/21/99/603362199.db2.gz JGNKXKKKMQYERW-OAHLLOKOSA-N -1 0 343.383 3.589 20 0 EHADRM CCOc1ccccc1CN(C)C(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000827458970 603365225 /nfs/dbraw/zinc/36/52/25/603365225.db2.gz CBVMPXUUMSVWNB-UHFFFAOYSA-N -1 0 342.395 3.756 20 0 EHADRM CN(Cc1cccc(NC(=O)NC(C)(C)c2ccccc2)c1)C(=O)[O-] ZINC000739715100 603365789 /nfs/dbraw/zinc/36/57/89/603365789.db2.gz QCDNSMKKPMKWNC-UHFFFAOYSA-N -1 0 341.411 3.853 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)NCCc2ccc(F)cc2)cc1 ZINC000825434500 603368248 /nfs/dbraw/zinc/36/82/48/603368248.db2.gz ULHBHHPCQBJIEN-LBPRGKRZSA-N -1 0 345.374 3.519 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(C3CCCCC3)cc2)CC[C@@H]1NC(=O)[O-] ZINC000739172000 603373137 /nfs/dbraw/zinc/37/31/37/603373137.db2.gz VYZNPEMRTGAFPC-KSSFIOAISA-N -1 0 344.455 3.853 20 0 EHADRM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=S)Nc1ccc2ccccc2c1 ZINC000740622497 603376497 /nfs/dbraw/zinc/37/64/97/603376497.db2.gz CNODDAGCPOBHOO-HOCLYGCPSA-N -1 0 343.452 3.563 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)NC/C=C/c2ccccc2)cc1 ZINC000825433542 603380519 /nfs/dbraw/zinc/38/05/19/603380519.db2.gz FMTYEXQQSYKGNU-LHRNQBEKSA-N -1 0 339.395 3.850 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N[C@@H](C)c2cccc(O)c2)cc1 ZINC000825426852 603381925 /nfs/dbraw/zinc/38/19/25/603381925.db2.gz LAQBQCZWPDCNEH-RYUDHWBXSA-N -1 0 343.383 3.604 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)c1ccc(NC(=O)[O-])cc1)C(C)C ZINC000738322433 603393117 /nfs/dbraw/zinc/39/31/17/603393117.db2.gz SZJYSHGJCXHBEN-OAHLLOKOSA-N -1 0 327.384 3.607 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)[C@H](C)[C@@H](NC(=O)[O-])c2ccccc2)s1 ZINC000830250770 603394564 /nfs/dbraw/zinc/39/45/64/603394564.db2.gz KDKJOIPHBWFFPQ-DVOMOZLQSA-N -1 0 346.452 3.879 20 0 EHADRM C[C@@H](c1nc(-c2ccc(F)cc2)no1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000825644561 603406319 /nfs/dbraw/zinc/40/63/19/603406319.db2.gz GVNLBHWSQRTFNO-IAQYHMDHSA-N -1 0 341.342 3.988 20 0 EHADRM C[C@@H](CC(=O)Nc1cccc(COC2CCCCC2)c1)NC(=O)[O-] ZINC000824695625 603419115 /nfs/dbraw/zinc/41/91/15/603419115.db2.gz LGLGRSHRMNUASB-ZDUSSCGKSA-N -1 0 334.416 3.521 20 0 EHADRM CC(C)[C@@H](CC1CCCCC1)C(=O)N1CCC[C@@H](CNC(=O)[O-])C1 ZINC000738772303 603426106 /nfs/dbraw/zinc/42/61/06/603426106.db2.gz FKLKSEITTMLHST-DLBZAZTESA-N -1 0 338.492 3.735 20 0 EHADRM Cc1cc(CNC(=O)[O-])ccc1N(C(=O)C[C@@H](C)C1CC1)C1CC1 ZINC000740076790 603428289 /nfs/dbraw/zinc/42/82/89/603428289.db2.gz MCBLYWLCGSEPFK-GFCCVEGCSA-N -1 0 330.428 3.694 20 0 EHADRM Cc1ccc(C(=O)Nc2nc(C(F)(F)F)cs2)cc1NC(=O)[O-] ZINC000830233796 603470148 /nfs/dbraw/zinc/47/01/48/603470148.db2.gz HIUKSUXLQOPAOQ-UHFFFAOYSA-N -1 0 345.302 3.813 20 0 EHADRM CN(C(=O)c1csc2ccccc12)C1CCC(NC(=O)[O-])CC1 ZINC000827949303 603481563 /nfs/dbraw/zinc/48/15/63/603481563.db2.gz JJYBCKKLJHZRBH-UHFFFAOYSA-N -1 0 332.425 3.552 20 0 EHADRM Cn1c(Cl)cnc1CNc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000830978914 603495674 /nfs/dbraw/zinc/49/56/74/603495674.db2.gz OALTWWMSOWCUGX-UHFFFAOYSA-N -1 0 348.712 3.794 20 0 EHADRM CCCCN(C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)[C@@H](C)c1ccc(C)o1 ZINC000826825512 603528978 /nfs/dbraw/zinc/52/89/78/603528978.db2.gz FRFSSBVSRVPQPX-RRFJBIMHSA-N -1 0 336.432 3.714 20 0 EHADRM CC(C)CC(=O)Nc1ccc(NCc2ccc(NC(=O)[O-])nc2)cc1 ZINC000824170029 603537049 /nfs/dbraw/zinc/53/70/49/603537049.db2.gz CNPQADBAVZYFRD-UHFFFAOYSA-N -1 0 342.399 3.768 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)Nc2cccc(-c3cccs3)c2)C1 ZINC000832285669 603549124 /nfs/dbraw/zinc/54/91/24/603549124.db2.gz GFHZVMUBASGRJZ-TZMCWYRMSA-N -1 0 330.409 3.790 20 0 EHADRM CC(C)c1ccc([C@@H](NC(=O)CC2CN(C(=O)[O-])C2)C(C)C)cc1 ZINC000824463234 603557452 /nfs/dbraw/zinc/55/74/52/603557452.db2.gz FDPBBQJDESOTQB-SFHVURJKSA-N -1 0 332.444 3.623 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)c1csc2ccccc21 ZINC000825082864 603575671 /nfs/dbraw/zinc/57/56/71/603575671.db2.gz OHLXTRCBLZMENW-TUAOUCFPSA-N -1 0 332.425 3.515 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccccc1C(C)(C)C)NC(=O)[O-] ZINC000826544822 603578355 /nfs/dbraw/zinc/57/83/55/603578355.db2.gz SXIKIEMXTSWCNM-UHFFFAOYSA-N -1 0 335.448 3.932 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000825858529 603583193 /nfs/dbraw/zinc/58/31/93/603583193.db2.gz BHKZNXLWBKNAFY-IIYDPXPESA-N -1 0 343.427 3.912 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000832253821 603633764 /nfs/dbraw/zinc/63/37/64/603633764.db2.gz HVIIQGUNJFYWHH-DJIMGWMZSA-N -1 0 348.418 3.610 20 0 EHADRM CCc1cccc(C)c1NC(=O)COc1cccc(NC(=O)[O-])c1 ZINC000827594503 603633896 /nfs/dbraw/zinc/63/38/96/603633896.db2.gz ISAMEHFHTLVCRT-UHFFFAOYSA-N -1 0 328.368 3.665 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2cc(C3CCCCC3)[nH]n2)ccc1F ZINC000832820555 603634312 /nfs/dbraw/zinc/63/43/12/603634312.db2.gz GDFINHORKIFORM-UHFFFAOYSA-N -1 0 346.362 3.939 20 0 EHADRM C[C@H](NC(=O)CC1CN(C(=O)[O-])C1)c1ccc(-c2ccccc2)cc1 ZINC000825107931 603634464 /nfs/dbraw/zinc/63/44/64/603634464.db2.gz IOXNNMVFGBLYAA-AWEZNQCLSA-N -1 0 338.407 3.531 20 0 EHADRM CC[C@H](NC(=O)N(C)C1CCC(NC(=O)[O-])CC1)C1CCCCC1 ZINC000826599401 603643406 /nfs/dbraw/zinc/64/34/06/603643406.db2.gz DFQJMMSSRSZDLD-GPANFISMSA-N -1 0 339.480 3.566 20 0 EHADRM O=C([O-])N(CC(=O)Nc1ccccc1CCC(F)(F)F)CC1CC1 ZINC000831468341 603728288 /nfs/dbraw/zinc/72/82/88/603728288.db2.gz HBSFJFNJCADZLV-UHFFFAOYSA-N -1 0 344.333 3.510 20 0 EHADRM CCC(CC)(CNC(=O)c1occc1-c1ccccc1)NC(=O)[O-] ZINC000826556501 603731679 /nfs/dbraw/zinc/73/16/79/603731679.db2.gz JXWALDCEQZQVEL-UHFFFAOYSA-N -1 0 330.384 3.503 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)o1 ZINC000832684961 603754125 /nfs/dbraw/zinc/75/41/25/603754125.db2.gz XWQBLAPWEJFTOX-HNNXBMFYSA-N -1 0 346.358 3.554 20 0 EHADRM CC(C)[C@H](NC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)c1ccccc1Cl ZINC000824129529 603768996 /nfs/dbraw/zinc/76/89/96/603768996.db2.gz QHYVPIPKRJVHTO-XUJVJEKNSA-N -1 0 338.835 3.590 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2F)cc1NC(=O)[O-] ZINC000830206096 603769814 /nfs/dbraw/zinc/76/98/14/603769814.db2.gz XBFOUDNGEJCWBQ-JTQLQIEISA-N -1 0 334.322 3.854 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)OCc1cccc(Cl)n1)c1ccccc1 ZINC000832121103 603813127 /nfs/dbraw/zinc/81/31/27/603813127.db2.gz SRGLKUNOVUXCEH-AWEZNQCLSA-N -1 0 348.786 3.567 20 0 EHADRM CCOc1cc(NCc2cccc3c2N(C(=O)[O-])CC3)ccc1OC ZINC000827418423 603852003 /nfs/dbraw/zinc/85/20/03/603852003.db2.gz OMOYJXNXTOIZOD-UHFFFAOYSA-N -1 0 342.395 3.747 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)Nc2cccc(CNC(=O)[O-])c2)c1 ZINC000829543558 603891137 /nfs/dbraw/zinc/89/11/37/603891137.db2.gz MMBQLBLYYKDIPA-ZDUSSCGKSA-N -1 0 342.395 3.595 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)Nc2cc(-c3ccccc3)on2)cc1 ZINC000832841726 603923126 /nfs/dbraw/zinc/92/31/26/603923126.db2.gz ONIZOSKOHBUMGS-UHFFFAOYSA-N -1 0 337.335 3.613 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@@H]1C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000832337661 603929715 /nfs/dbraw/zinc/92/97/15/603929715.db2.gz CDHSIKRUOHKZBL-STQMWFEESA-N -1 0 344.333 3.556 20 0 EHADRM CSc1ccccc1NC(=O)C[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000829771482 603942356 /nfs/dbraw/zinc/94/23/56/603942356.db2.gz CPVNKULWLPBOLN-AWEZNQCLSA-N -1 0 344.436 3.616 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)c1ccc2ncsc2c1 ZINC000831797890 603942766 /nfs/dbraw/zinc/94/27/66/603942766.db2.gz XZEFZQOAQXDYQT-UHFFFAOYSA-N -1 0 339.376 3.589 20 0 EHADRM C[C@H](C(=O)N1Cc2ccccc2[C@@H]1C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823677949 603951699 /nfs/dbraw/zinc/95/16/99/603951699.db2.gz PQDQUCSUJMWLPX-DEYYWGMASA-N -1 0 338.407 3.735 20 0 EHADRM Cc1ccc(C(=O)O[C@H](C)C(=O)c2ccccc2)cc1NC(=O)[O-] ZINC000830237730 603955642 /nfs/dbraw/zinc/95/56/42/603955642.db2.gz LUJREZGVOSJRLV-GFCCVEGCSA-N -1 0 327.336 3.513 20 0 EHADRM C[C@H]1CCN(C(=O)C2CCC(NC(=O)[O-])CC2)[C@H]1c1cccc(F)c1 ZINC000825936720 603961138 /nfs/dbraw/zinc/96/11/38/603961138.db2.gz BRZQUOJYHMKGGR-ZJOIDMRUSA-N -1 0 348.418 3.562 20 0 EHADRM CCN(C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1)c1ccc2ccccc2c1 ZINC000826969944 603961820 /nfs/dbraw/zinc/96/18/20/603961820.db2.gz LNBQSEMYGPFOGJ-JKSUJKDBSA-N -1 0 326.396 3.629 20 0 EHADRM CC(=O)c1cccc(NC(=O)Nc2cccc3c2CCN3C(=O)[O-])c1 ZINC000823641506 603964409 /nfs/dbraw/zinc/96/44/09/603964409.db2.gz UOHPTCQCMRRJLA-UHFFFAOYSA-N -1 0 339.351 3.574 20 0 EHADRM CN(Cc1csc(C2CCCCC2)n1)C1CCN(C(=O)[O-])CC1 ZINC000828416541 603978680 /nfs/dbraw/zinc/97/86/80/603978680.db2.gz LNSSNVQTQQALMR-UHFFFAOYSA-N -1 0 337.489 3.765 20 0 EHADRM CN(C(=O)Nc1ccccc1C(C)(C)C)C1CCN(C(=O)[O-])CC1 ZINC000827815533 604009040 /nfs/dbraw/zinc/00/90/40/604009040.db2.gz AHXDOCLBYMFTLD-UHFFFAOYSA-N -1 0 333.432 3.590 20 0 EHADRM Cc1nc(Cl)sc1C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000830763813 604022229 /nfs/dbraw/zinc/02/22/29/604022229.db2.gz DTSJPTWLSGWWKB-SSDOTTSWSA-N -1 0 339.804 3.686 20 0 EHADRM C[C@H]1CCN(C(=O)CCCCCCNC(=O)[O-])[C@@H](c2ccco2)C1 ZINC000825937051 604024650 /nfs/dbraw/zinc/02/46/50/604024650.db2.gz FXHFRWCRRKSCIK-LSDHHAIUSA-N -1 0 336.432 3.797 20 0 EHADRM CCS[C@@H]1CCC[C@@H](NC(=O)c2ccc(C)c(NC(=O)[O-])c2)C1 ZINC000827495737 604059962 /nfs/dbraw/zinc/05/99/62/604059962.db2.gz MCVMDOJNZJUFIC-ZIAGYGMSSA-N -1 0 336.457 3.879 20 0 EHADRM CCS[C@@H]1CCC[C@H](NC(=O)c2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000827495674 604061993 /nfs/dbraw/zinc/06/19/93/604061993.db2.gz LFICCTCNEVWBOE-NWDGAFQWSA-N -1 0 340.420 3.710 20 0 EHADRM CC(C)c1ccc(NC(=O)N2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)cc1 ZINC000824469769 604064566 /nfs/dbraw/zinc/06/45/66/604064566.db2.gz FNJWFLOTTQUCHX-HIFRSBDPSA-N -1 0 333.432 3.710 20 0 EHADRM CC[C@@H](NC(=O)N1CCC(CN(CC)C(=O)[O-])CC1)c1ccccc1 ZINC000826599703 604076983 /nfs/dbraw/zinc/07/69/83/604076983.db2.gz FWPKBFICTCRNJN-QGZVFWFLSA-N -1 0 347.459 3.559 20 0 EHADRM O=C([O-])NC1(CC(=O)N2CCC[C@@H]2c2ccccc2Cl)CCC1 ZINC000832198658 604110311 /nfs/dbraw/zinc/11/03/11/604110311.db2.gz DCFGUFMGOREPRS-CQSZACIVSA-N -1 0 336.819 3.584 20 0 EHADRM CCc1cccc(C)c1NC(=O)N(C)C1CCC(NC(=O)[O-])CC1 ZINC000827593863 604118580 /nfs/dbraw/zinc/11/85/80/604118580.db2.gz FXHQPGUFGRWOFF-UHFFFAOYSA-N -1 0 333.432 3.600 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)OC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000824817278 604239423 /nfs/dbraw/zinc/23/94/23/604239423.db2.gz PHGDLKKFSWISIZ-QIXHYMPYSA-N -1 0 349.402 3.611 20 0 EHADRM C[C@H](OC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1)c1ccc(F)c(Cl)c1 ZINC000825553595 604241499 /nfs/dbraw/zinc/24/14/99/604241499.db2.gz YZDYWVAPHYBQTG-LSJOCFKGSA-N -1 0 329.755 3.520 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N1CCC[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000829845731 604244764 /nfs/dbraw/zinc/24/47/64/604244764.db2.gz TVTLNKRNCNGLLQ-ZIAGYGMSSA-N -1 0 344.411 3.558 20 0 EHADRM Cc1cc(OCC(=O)Nc2cccc(CC(=O)[O-])c2)cc(C)c1Cl ZINC000237768393 604268113 /nfs/dbraw/zinc/26/81/13/604268113.db2.gz KEWUYPJQMQTKCJ-UHFFFAOYSA-N -1 0 347.798 3.601 20 0 EHADRM Cn1cccc1[C@@H]1CCCCCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000833055113 604272843 /nfs/dbraw/zinc/27/28/43/604272843.db2.gz CTXODKWTXLVKGG-KRWDZBQOSA-N -1 0 344.386 3.620 20 0 EHADRM Cc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000832981046 604274697 /nfs/dbraw/zinc/27/46/97/604274697.db2.gz VNVYYJQDMROWIP-INIZCTEOSA-N -1 0 341.382 3.680 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC000828193096 604294593 /nfs/dbraw/zinc/29/45/93/604294593.db2.gz SPZAHTFAYILKKD-APPDUMDISA-N -1 0 345.345 3.886 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000439905479 604296081 /nfs/dbraw/zinc/29/60/81/604296081.db2.gz UUSDVGNWOJRSRW-CQSZACIVSA-N -1 0 338.190 3.858 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NCc1ccn(C2CCCC2)n1 ZINC000832079843 604300298 /nfs/dbraw/zinc/30/02/98/604300298.db2.gz OHAZYHCMWJEFJF-UHFFFAOYSA-N -1 0 326.400 3.651 20 0 EHADRM Cc1cccc(-c2cncc(C(=O)N[C@@H](C(=O)[O-])c3ccccc3)c2)c1 ZINC000190743851 604300520 /nfs/dbraw/zinc/30/05/20/604300520.db2.gz YRPPEXUVHTUUIP-LJQANCHMSA-N -1 0 346.386 3.613 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)Nc2c(F)cccc2NC2CC2)cc1 ZINC000832841709 604308850 /nfs/dbraw/zinc/30/88/50/604308850.db2.gz NFZKRWABTFTANG-UHFFFAOYSA-N -1 0 343.358 3.671 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1CCC(c2ccccc2C)CC1 ZINC000738323736 604309439 /nfs/dbraw/zinc/30/94/39/604309439.db2.gz ANPUXWVYPSXJBN-UHFFFAOYSA-N -1 0 340.423 3.658 20 0 EHADRM C[C@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000827585886 604325093 /nfs/dbraw/zinc/32/50/93/604325093.db2.gz CJDIIEZFCAWYAT-GFCCVEGCSA-N -1 0 343.383 3.577 20 0 EHADRM CCOCCC1(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])CCCC1 ZINC000827394259 604328316 /nfs/dbraw/zinc/32/83/16/604328316.db2.gz NTNAFQMORPSQMU-UHFFFAOYSA-N -1 0 346.427 3.653 20 0 EHADRM Cc1cccc(C)c1CCNC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000832964949 604335790 /nfs/dbraw/zinc/33/57/90/604335790.db2.gz WCODKGAKDXVHEY-UHFFFAOYSA-N -1 0 330.359 3.505 20 0 EHADRM COc1cc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])ccc1F ZINC000829087445 604340503 /nfs/dbraw/zinc/34/05/03/604340503.db2.gz MYRNZEXDBZJZSV-UHFFFAOYSA-N -1 0 344.342 3.517 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)CCCc1ccccc1)c1ccccc1 ZINC000826090666 604373000 /nfs/dbraw/zinc/37/30/00/604373000.db2.gz VSMMZOZCBSBALF-IBGZPJMESA-N -1 0 339.435 3.978 20 0 EHADRM CC(C)CCSCC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000826860775 604375130 /nfs/dbraw/zinc/37/51/30/604375130.db2.gz GYBZFOFTVWUFDC-MRXNPFEDSA-N -1 0 337.485 3.734 20 0 EHADRM CCc1ccsc1C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000830282494 604377518 /nfs/dbraw/zinc/37/75/18/604377518.db2.gz YWNMUHSSFRFPTG-OAHLLOKOSA-N -1 0 331.437 3.892 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)/C=C/c1cccs1)c1ccccc1 ZINC000826089054 604379513 /nfs/dbraw/zinc/37/95/13/604379513.db2.gz HGMQVFRVWCZSSN-SIFUEBAJSA-N -1 0 329.421 3.730 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)/C=C\c1cccs1)c1ccccc1 ZINC000826089052 604379791 /nfs/dbraw/zinc/37/97/91/604379791.db2.gz HGMQVFRVWCZSSN-BLIJAFNYSA-N -1 0 329.421 3.730 20 0 EHADRM Cc1ccc(CCC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1 ZINC000832930779 604385970 /nfs/dbraw/zinc/38/59/70/604385970.db2.gz NOKIKMOETQMQAO-IBGZPJMESA-N -1 0 339.435 3.896 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)Cc1cc(F)c(F)cc1F ZINC000833117128 604388266 /nfs/dbraw/zinc/38/82/66/604388266.db2.gz NVFIAUDFQWXHLG-UHFFFAOYSA-N -1 0 343.688 3.637 20 0 EHADRM CC(=O)c1ccc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])s1 ZINC000825946810 604389179 /nfs/dbraw/zinc/38/91/79/604389179.db2.gz RCDHJVSMBYRHNO-HNNXBMFYSA-N -1 0 345.420 3.533 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000825612694 604427024 /nfs/dbraw/zinc/42/70/24/604427024.db2.gz VCCTXDIUNKVPBN-NSHDSACASA-N -1 0 338.379 3.982 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@H](C)Oc1ccccc1 ZINC000829020968 604428960 /nfs/dbraw/zinc/42/89/60/604428960.db2.gz ODSKDKREWVNFSX-MAUKXSAKSA-N -1 0 341.407 3.518 20 0 EHADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N1CCc2cc(-c3ccccc3)ccc21 ZINC000826705088 604429009 /nfs/dbraw/zinc/42/90/09/604429009.db2.gz CJFMTTIWQCNGQA-GOSISDBHSA-N -1 0 338.407 3.535 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)N(C)[C@@H](C)c2ccco2)cc1 ZINC000825377894 604438652 /nfs/dbraw/zinc/43/86/52/604438652.db2.gz MVYKTABLOGFZIF-STQMWFEESA-N -1 0 345.399 3.511 20 0 EHADRM C[C@H](CC(=O)NCc1ccc([C@@H](C)NC(=O)[O-])cc1)c1ccccc1 ZINC000824654785 604442542 /nfs/dbraw/zinc/44/25/42/604442542.db2.gz HNQGKBMOISOXPU-HUUCEWRRSA-N -1 0 340.423 3.825 20 0 EHADRM CCC(CC)n1nccc1C(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000828874427 604443813 /nfs/dbraw/zinc/44/38/13/604443813.db2.gz GWOBLYVERHOXFE-NSHDSACASA-N -1 0 334.372 3.762 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)CCCc2cccs2)cc1 ZINC000825377722 604446540 /nfs/dbraw/zinc/44/65/40/604446540.db2.gz JJQZIPKNDZEPHQ-ZDUSSCGKSA-N -1 0 346.452 3.716 20 0 EHADRM Cc1cc(C(=O)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)c(F)cc1F ZINC000829956988 604458211 /nfs/dbraw/zinc/45/82/11/604458211.db2.gz QVZFNLURZVYYNW-LLVKDONJSA-N -1 0 348.349 3.532 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000314959037 604476996 /nfs/dbraw/zinc/47/69/96/604476996.db2.gz MKSLHJBOXFRNRA-MWLCHTKSSA-N -1 0 345.226 3.703 20 0 EHADRM Cc1ccccc1-c1cnc(CNC2(C(=O)[O-])CCCCCC2)o1 ZINC000833752884 604481844 /nfs/dbraw/zinc/48/18/44/604481844.db2.gz CVARYZRHIVPEKD-UHFFFAOYSA-N -1 0 328.412 3.917 20 0 EHADRM Cc1coc(-c2cc(NC(=O)CCN(C(=O)[O-])C(C)C)ccc2C)n1 ZINC000830650762 604523963 /nfs/dbraw/zinc/52/39/63/604523963.db2.gz UFWUOLUSDPYVCR-UHFFFAOYSA-N -1 0 345.399 3.675 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)N1C[C@H]2CCCC[C@@H]2C1)c1ccccc1 ZINC000826088847 604528152 /nfs/dbraw/zinc/52/81/52/604528152.db2.gz CZIWEOOXSIZITQ-BRWVUGGUSA-N -1 0 344.455 3.670 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)N1CCC2(CCCC2)C1)c1ccccc1 ZINC000826096458 604533860 /nfs/dbraw/zinc/53/38/60/604533860.db2.gz VYVYVXZILWPSRW-MRXNPFEDSA-N -1 0 344.455 3.814 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)N1Cc2ccccc2C1)c1ccccc1 ZINC000826096503 604534142 /nfs/dbraw/zinc/53/41/42/604534142.db2.gz WPHATTZPOWXIOX-KRWDZBQOSA-N -1 0 338.407 3.564 20 0 EHADRM C/C(=C/c1ccccc1Cl)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000761576115 604547734 /nfs/dbraw/zinc/54/77/34/604547734.db2.gz AOJNGEINBHNSPL-JNSOCZORSA-N -1 0 329.783 3.685 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)Cc2c(F)cccc2Cl)oc1C(=O)[O-] ZINC000832872665 604558825 /nfs/dbraw/zinc/55/88/25/604558825.db2.gz SVSMXGSAQOBWIG-SECBINFHSA-N -1 0 340.734 3.926 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2cccc3ncccc32)oc1C(=O)[O-] ZINC000832876711 604560861 /nfs/dbraw/zinc/56/08/61/604560861.db2.gz USPKHZUKYFPPRP-LLVKDONJSA-N -1 0 325.320 3.752 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000262951577 604570566 /nfs/dbraw/zinc/57/05/66/604570566.db2.gz MUWNCOWUGXCKOQ-INIZCTEOSA-N -1 0 349.858 3.909 20 0 EHADRM CCSc1cc(C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)ccn1 ZINC000830168598 604571575 /nfs/dbraw/zinc/57/15/75/604571575.db2.gz FDEBWKHGIBMFOB-SNVBAGLBSA-N -1 0 335.381 3.711 20 0 EHADRM C[C@@H](CC(=O)N1CCC[C@H]1CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000262897848 604571618 /nfs/dbraw/zinc/57/16/18/604571618.db2.gz IKUBYNQKDJVDRP-FZMZJTMJSA-N -1 0 343.345 3.665 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000455875681 604573238 /nfs/dbraw/zinc/57/32/38/604573238.db2.gz NTBPZMSRWHLSNS-MRVPVSSYSA-N -1 0 341.194 3.554 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)Cc2c[nH]c3cc(C)ccc23)oc1C(=O)[O-] ZINC000832959820 604579877 /nfs/dbraw/zinc/57/98/77/604579877.db2.gz JXGVPIRPRCUJGM-GFCCVEGCSA-N -1 0 341.363 3.923 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)C[C@@H]2OCCc3ccccc32)oc1C(=O)[O-] ZINC000832874499 604587757 /nfs/dbraw/zinc/58/77/57/604587757.db2.gz KNNQDZUTMWNCJK-WBMJQRKESA-N -1 0 344.363 3.595 20 0 EHADRM Cc1cc([C@H](C)OC(=O)[C@@H](C)CCOc2ccccc2)oc1C(=O)[O-] ZINC000832871766 604593447 /nfs/dbraw/zinc/59/34/47/604593447.db2.gz DKTYNZPTTHWOQD-JSGCOSHPSA-N -1 0 346.379 3.996 20 0 EHADRM CC(C)CSCCNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000397209873 604594579 /nfs/dbraw/zinc/59/45/79/604594579.db2.gz DSCDYRODJBNHDH-UHFFFAOYSA-N -1 0 338.473 3.560 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2c(N)c(F)ccc2Cl)oc1C(=O)[O-] ZINC000832872560 604598053 /nfs/dbraw/zinc/59/80/53/604598053.db2.gz QNEQQNJUILIEAF-ZETCQYMHSA-N -1 0 341.722 3.579 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2c(N)c(F)ccc2Cl)oc1C(=O)[O-] ZINC000832872559 604598080 /nfs/dbraw/zinc/59/80/80/604598080.db2.gz QNEQQNJUILIEAF-SSDOTTSWSA-N -1 0 341.722 3.579 20 0 EHADRM CCOCCC1(C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)CCCC1 ZINC000829994685 604600718 /nfs/dbraw/zinc/60/07/18/604600718.db2.gz QGDXWBKCVGZTAI-CYBMUJFWSA-N -1 0 338.400 3.877 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)COC/C=C\c2ccccc2)oc1C(=O)[O-] ZINC000832872681 604601644 /nfs/dbraw/zinc/60/16/44/604601644.db2.gz TYAISNCDEKWMBA-DEBLGDTFSA-N -1 0 344.363 3.620 20 0 EHADRM COc1ccc(C(C)(C)C(=O)OCc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000832216598 604614805 /nfs/dbraw/zinc/61/48/05/604614805.db2.gz BOXOWJDGYMCMJE-UHFFFAOYSA-N -1 0 346.354 3.554 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)Nc1ccc2c(c1)COC2)C(=O)[O-] ZINC000432096016 604617137 /nfs/dbraw/zinc/61/71/37/604617137.db2.gz RGQWMZQAYOVTBD-NSHDSACASA-N -1 0 343.404 3.534 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000829532506 604620357 /nfs/dbraw/zinc/62/03/57/604620357.db2.gz OJZSFEGRGYIAAC-LBPRGKRZSA-N -1 0 340.807 3.600 20 0 EHADRM COc1ccc(CN(c2nc(Cl)c(C(=O)[O-])s2)C2CC2)cc1 ZINC000832314412 604629376 /nfs/dbraw/zinc/62/93/76/604629376.db2.gz LUFCZFDIHJLDKM-UHFFFAOYSA-N -1 0 338.816 3.672 20 0 EHADRM O=C([O-])[C@H](CNc1nc(C(F)(F)F)cs1)Cc1cccc(F)c1 ZINC000833163580 604631829 /nfs/dbraw/zinc/63/18/29/604631829.db2.gz JZGJEAQLWLJEQG-VIFPVBQESA-N -1 0 348.321 3.656 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000833214665 604633875 /nfs/dbraw/zinc/63/38/75/604633875.db2.gz VARWTZFKLYWAHO-MRXNPFEDSA-N -1 0 346.427 3.617 20 0 EHADRM COc1cc2c(c(CNc3ccc(N(C)C(=O)[O-])cc3)c1)O[C@H](C)C2 ZINC000832000529 604646050 /nfs/dbraw/zinc/64/60/50/604646050.db2.gz SCPPWGCCEKAFJS-GFCCVEGCSA-N -1 0 342.395 3.745 20 0 EHADRM Cc1cc(CNc2cccc3ncccc32)cc(C)c1OCC(=O)[O-] ZINC000832884294 604646866 /nfs/dbraw/zinc/64/68/66/604646866.db2.gz BPBSRCLHXJLPOA-UHFFFAOYSA-N -1 0 336.391 3.927 20 0 EHADRM CCS[C@@H](C)c1noc(COc2ccc(N(C)C(=O)[O-])cc2)n1 ZINC000827494862 604648063 /nfs/dbraw/zinc/64/80/63/604648063.db2.gz DTEMKANIZVPCNN-JTQLQIEISA-N -1 0 337.401 3.577 20 0 EHADRM C[C@H](C(=O)O[C@@H](C1CC1)C(F)(F)F)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823731742 604661483 /nfs/dbraw/zinc/66/14/83/604661483.db2.gz PNIMCGZVIDOBKO-XDTLVQLUSA-N -1 0 345.317 3.516 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1ccc(F)cc1C(F)(F)F ZINC000833225469 604665062 /nfs/dbraw/zinc/66/50/62/604665062.db2.gz VZDDJIAIUJXNRU-UHFFFAOYSA-N -1 0 335.297 3.609 20 0 EHADRM C[C@H](c1cc(F)ccc1F)N(C)C(=O)CCc1ccccc1C(=O)[O-] ZINC000262252266 604680263 /nfs/dbraw/zinc/68/02/63/604680263.db2.gz VPEUTZVIZZUYAK-GFCCVEGCSA-N -1 0 347.361 3.815 20 0 EHADRM CCCOc1ccc([C@H](C)NC(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC000833651806 604681970 /nfs/dbraw/zinc/68/19/70/604681970.db2.gz ATXJNCMEIDEJRL-AWEZNQCLSA-N -1 0 341.407 3.594 20 0 EHADRM CN(C(=O)C[C@@H](c1ccccc1)C(F)(F)F)C1(C(=O)[O-])CCCC1 ZINC000830464048 604729193 /nfs/dbraw/zinc/72/91/93/604729193.db2.gz FBPRZNWEOODBGD-ZDUSSCGKSA-N -1 0 343.345 3.578 20 0 EHADRM Cc1ccc(CCCCC(=O)Nc2nc(CCC(=O)[O-])cs2)cc1 ZINC000832930904 604734905 /nfs/dbraw/zinc/73/49/05/604734905.db2.gz SHMRHOYURIZEDS-UHFFFAOYSA-N -1 0 346.452 3.820 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2n[nH]c3c2cccc3Cl)c1 ZINC000833291813 604748677 /nfs/dbraw/zinc/74/86/77/604748677.db2.gz UIAGRPWMDLBGFS-UHFFFAOYSA-N -1 0 330.731 3.559 20 0 EHADRM CN(C)c1cccc([C@H]2CCCN2[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000830643085 604769963 /nfs/dbraw/zinc/76/99/63/604769963.db2.gz CAZINRBMTXHXFK-MOPGFXCFSA-N -1 0 342.414 3.855 20 0 EHADRM CC(C)(C)OCc1ccc(NC(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC000833445742 604777206 /nfs/dbraw/zinc/77/72/06/604777206.db2.gz QCERWESLIPXORG-UHFFFAOYSA-N -1 0 341.407 3.881 20 0 EHADRM CC(C)(C)OC(=O)NCc1cccc(NCc2ccoc2C(=O)[O-])c1 ZINC000833442587 604777488 /nfs/dbraw/zinc/77/74/88/604777488.db2.gz HNCBOCFZTUHDAD-UHFFFAOYSA-N -1 0 346.383 3.615 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)C1 ZINC000828233828 604782773 /nfs/dbraw/zinc/78/27/73/604782773.db2.gz SVHWRRAFXZFGFQ-CABCVRRESA-N -1 0 344.455 3.614 20 0 EHADRM CC(C)C[C@H](C)CC(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000826759816 604789418 /nfs/dbraw/zinc/78/94/18/604789418.db2.gz PYSPFYHMHQAGFD-HNNXBMFYSA-N -1 0 346.471 3.860 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1F ZINC000833144462 604802075 /nfs/dbraw/zinc/80/20/75/604802075.db2.gz GFDGMXBNVNNFFL-UHFFFAOYSA-N -1 0 342.153 3.761 20 0 EHADRM CCOc1ccc(OCC)c(NC(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000830088869 604805604 /nfs/dbraw/zinc/80/56/04/604805604.db2.gz OIWQOBFWLOEEIF-UHFFFAOYSA-N -1 0 347.342 3.574 20 0 EHADRM Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000832890511 604808724 /nfs/dbraw/zinc/80/87/24/604808724.db2.gz HBKNRYIMFWQXTQ-UHFFFAOYSA-N -1 0 342.370 3.685 20 0 EHADRM CC(C)C[C@@H](CNC(=O)C1(Cc2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC000833478195 604809225 /nfs/dbraw/zinc/80/92/25/604809225.db2.gz ZTZUDSJPALGAAZ-AWEZNQCLSA-N -1 0 337.847 3.526 20 0 EHADRM CCC[C@H](Cc1ccccc1)NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000829223271 604818955 /nfs/dbraw/zinc/81/89/55/604818955.db2.gz OBHKVSSUCINQFW-OAHLLOKOSA-N -1 0 329.371 3.665 20 0 EHADRM CC[C@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccc(F)cc1F ZINC000828971411 604823779 /nfs/dbraw/zinc/82/37/79/604823779.db2.gz DNKFLZDMMKYHJZ-HNNXBMFYSA-N -1 0 337.297 3.683 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])c(F)c2)CC[C@@H]1c1ccccc1 ZINC000828395458 604826284 /nfs/dbraw/zinc/82/62/84/604826284.db2.gz XQAGEQCCSDPKPV-CJNGLKHVSA-N -1 0 341.382 3.790 20 0 EHADRM CC(C)(C)C1CCC(CC(=O)NC2(C(=O)[O-])CCSCC2)CC1 ZINC000431776320 604839147 /nfs/dbraw/zinc/83/91/47/604839147.db2.gz ORYSTGQHEIRKBQ-UHFFFAOYSA-N -1 0 341.517 3.696 20 0 EHADRM CC1(C)CN(C(=O)Nc2cc(C(=O)[O-])ccc2F)Cc2ccccc21 ZINC000833560320 604842862 /nfs/dbraw/zinc/84/28/62/604842862.db2.gz OJAPFKWQCBKZQO-UHFFFAOYSA-N -1 0 342.370 3.849 20 0 EHADRM C[C@H](C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)c1ccsc1 ZINC000346030172 604848972 /nfs/dbraw/zinc/84/89/72/604848972.db2.gz ZVIWKVXFBDGFFF-VIFPVBQESA-N -1 0 339.800 3.607 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000237598978 604850771 /nfs/dbraw/zinc/85/07/71/604850771.db2.gz XPTPAHORFUEQCR-LBPRGKRZSA-N -1 0 347.798 3.936 20 0 EHADRM CCOc1cc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)ccc1C ZINC000669435183 604856591 /nfs/dbraw/zinc/85/65/91/604856591.db2.gz XCMAGVWGFWDWSW-INIZCTEOSA-N -1 0 339.391 3.612 20 0 EHADRM CC1(C)CC(C)(C)c2cc(NC(=O)N3CC[C@](F)(C(=O)[O-])C3)ccc21 ZINC000833556696 604864560 /nfs/dbraw/zinc/86/45/60/604864560.db2.gz YOVIVNVKQJPLIX-LJQANCHMSA-N -1 0 348.418 3.676 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)[C@H]2CCCc3sccc32)cc1 ZINC000833281826 604865305 /nfs/dbraw/zinc/86/53/05/604865305.db2.gz NMPGKAROCGGXBW-AWEZNQCLSA-N -1 0 330.409 3.574 20 0 EHADRM CC(C)c1ccsc1C(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1 ZINC000833511248 604868644 /nfs/dbraw/zinc/86/86/44/604868644.db2.gz HRORXJKMJRBKCI-UHFFFAOYSA-N -1 0 329.381 3.698 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)[C@H]1CCCc2sccc21)c1ccccc1 ZINC000365373732 604883375 /nfs/dbraw/zinc/88/33/75/604883375.db2.gz DABRJBXPWOOGCU-NUTKFTJISA-N -1 0 343.448 3.746 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)[C@H]1CCCc2sccc21 ZINC000830383824 604886662 /nfs/dbraw/zinc/88/66/62/604886662.db2.gz GJKWKSDOZRJMPZ-LBPRGKRZSA-N -1 0 334.393 3.765 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)C2(c3cccc(F)c3)CCC2)C1 ZINC000679105928 604886711 /nfs/dbraw/zinc/88/67/11/604886711.db2.gz MRCAXSJOSXLFFO-HNNXBMFYSA-N -1 0 347.430 3.597 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@@H]1CCCc2sccc21)c1ccc(F)cc1 ZINC000833350399 604888486 /nfs/dbraw/zinc/88/84/86/604888486.db2.gz LCSOQOPCRDFHCG-UKRRQHHQSA-N -1 0 334.368 3.676 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C2(c3ccccc3)CCCC2)C1 ZINC000326791808 604892710 /nfs/dbraw/zinc/89/27/10/604892710.db2.gz ACIQTJQLNLWAMX-QGZVFWFLSA-N -1 0 343.467 3.848 20 0 EHADRM C/C(=C/C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccc(F)cc1 ZINC000777402190 604895007 /nfs/dbraw/zinc/89/50/07/604895007.db2.gz XWVUXHNIILJOBU-BMOGTNHUSA-N -1 0 333.403 3.578 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccc(F)cc1 ZINC000679102061 604896242 /nfs/dbraw/zinc/89/62/42/604896242.db2.gz SUVJPITVBIASBE-HIFRSBDPSA-N -1 0 335.419 3.669 20 0 EHADRM CN(C(=O)[O-])c1ccccc1C(=O)OCc1cccc(F)c1Cl ZINC000833684996 604905406 /nfs/dbraw/zinc/90/54/06/604905406.db2.gz AGRUHHOKUIQGFZ-UHFFFAOYSA-N -1 0 337.734 3.950 20 0 EHADRM CN(C(=O)[O-])c1ccc(NCc2cn(C)nc2-c2ccccc2)cc1 ZINC000833685047 604905583 /nfs/dbraw/zinc/90/55/83/604905583.db2.gz BYPGFRLJQWLBQS-UHFFFAOYSA-N -1 0 336.395 3.813 20 0 EHADRM CCC(=O)c1cccc(NC(=O)N[C@H](CC(=O)[O-])c2ccccc2)c1 ZINC000828580678 604906494 /nfs/dbraw/zinc/90/64/94/604906494.db2.gz PKBNCTQVCGUFRH-MRXNPFEDSA-N -1 0 340.379 3.617 20 0 EHADRM CCc1cc(C)c(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)o1 ZINC000621564436 604920104 /nfs/dbraw/zinc/92/01/04/604920104.db2.gz JINCFQJVJJTEIP-UHFFFAOYSA-N -1 0 339.294 3.702 20 0 EHADRM CCC[C@@H](C)[C@@H]1CCCN1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000829209890 604946365 /nfs/dbraw/zinc/94/63/65/604946365.db2.gz YDDSTBSCZLLAJF-CJNGLKHVSA-N -1 0 334.416 3.583 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)c2cccc([C@@H]3CCOC3)c2)cc1 ZINC000833685752 604948990 /nfs/dbraw/zinc/94/89/90/604948990.db2.gz QTORIEKXAJGMRH-OAHLLOKOSA-N -1 0 340.379 3.557 20 0 EHADRM C[C@@]1(NC(=O)c2cccc(-c3ccoc3)c2)CCCC[C@H]1C(=O)[O-] ZINC000262745594 604956792 /nfs/dbraw/zinc/95/67/92/604956792.db2.gz IWCCBCLGMMDLJR-QFBILLFUSA-N -1 0 327.380 3.710 20 0 EHADRM C[C@@]1(NC(=O)c2cccc(C(F)(F)F)c2F)CCCC[C@@H]1C(=O)[O-] ZINC000833573899 604966076 /nfs/dbraw/zinc/96/60/76/604966076.db2.gz WUWHRVSYBPRLTR-IAQYHMDHSA-N -1 0 347.308 3.608 20 0 EHADRM Cc1cc(C)c(NC(=S)N2CCC[C@H]2CC(=O)[O-])c(Cl)c1 ZINC000832874053 604973866 /nfs/dbraw/zinc/97/38/66/604973866.db2.gz FGFIRBPIHIZCMQ-NSHDSACASA-N -1 0 326.849 3.593 20 0 EHADRM CCC[C@@]1(C)CCCN(C(=O)Nc2nc(CCC(=O)[O-])cs2)C1 ZINC000829238678 604977280 /nfs/dbraw/zinc/97/72/80/604977280.db2.gz YWHQKHUTSMDWOM-INIZCTEOSA-N -1 0 339.461 3.594 20 0 EHADRM Cc1cnn(-c2ccc(C)cc2NCc2cc(C(=O)[O-])c(C)o2)c1 ZINC000832909166 604984997 /nfs/dbraw/zinc/98/49/97/604984997.db2.gz HXKFTOFUVPZYOM-UHFFFAOYSA-N -1 0 325.368 3.701 20 0 EHADRM CCc1nc(NC(=O)C2(c3cccc(C)c3)CCC2)sc1C(=O)[O-] ZINC000833674404 604994864 /nfs/dbraw/zinc/99/48/64/604994864.db2.gz QZGJIOYAWAQZIN-UHFFFAOYSA-N -1 0 344.436 3.773 20 0 EHADRM CCC[C@H](C)[C@@H]1CCCN1C(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC000829209416 604997700 /nfs/dbraw/zinc/99/77/00/604997700.db2.gz VTUZHVCFBGSOOU-BBRMVZONSA-N -1 0 348.443 3.504 20 0 EHADRM CCC(CC)(CNC(=O)N(C)Cc1ccc(Cl)c(F)c1)C(=O)[O-] ZINC000424434553 605007750 /nfs/dbraw/zinc/00/77/50/605007750.db2.gz TWUPFSJRFCPMEU-UHFFFAOYSA-N -1 0 344.814 3.512 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)Nc1scnc1C1CC1)C(=O)[O-] ZINC000833544619 605009209 /nfs/dbraw/zinc/00/92/09/605009209.db2.gz HJZCSWXOSDOHEN-SECBINFHSA-N -1 0 348.449 3.838 20 0 EHADRM CC[C@@H](OC(=O)Cc1csc(-c2ccc(C(C)C)cc2)n1)C(=O)[O-] ZINC000833647216 605010117 /nfs/dbraw/zinc/01/01/17/605010117.db2.gz YTZRCZJTFRUJTR-OAHLLOKOSA-N -1 0 347.436 3.882 20 0 EHADRM CC[C@H](OC(=O)CCCOc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000833646959 605013175 /nfs/dbraw/zinc/01/31/75/605013175.db2.gz YUSPWHSUXBOHDM-JTQLQIEISA-N -1 0 335.183 3.559 20 0 EHADRM Cc1scc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)c1C ZINC000263479643 605014328 /nfs/dbraw/zinc/01/43/28/605014328.db2.gz AHDLNKKTLODBCP-UHFFFAOYSA-N -1 0 331.437 3.872 20 0 EHADRM CC(C)(C)OCc1ccccc1C(=O)Nc1cccc(C(=O)[O-])c1O ZINC000833445236 605015193 /nfs/dbraw/zinc/01/51/93/605015193.db2.gz DPPSGDYIXFUPJP-UHFFFAOYSA-N -1 0 343.379 3.658 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)Nc1scnc1C1CC1)c1ccccc1 ZINC000833411246 605020480 /nfs/dbraw/zinc/02/04/80/605020480.db2.gz ODZIOWZHUBJUDC-GXFFZTMASA-N -1 0 345.424 3.604 20 0 EHADRM C[C@H](C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)c1c(F)cccc1F ZINC000833410267 605030402 /nfs/dbraw/zinc/03/04/02/605030402.db2.gz WMYIYDWARJSZSW-NSHDSACASA-N -1 0 348.349 3.817 20 0 EHADRM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1cncc(C(=O)[O-])c1 ZINC000630153047 605031482 /nfs/dbraw/zinc/03/14/82/605031482.db2.gz PNRNMXNUGXXFEC-VXGBXAGGSA-N -1 0 346.814 3.697 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)OCc1ccc(SC(F)F)cc1 ZINC000833455066 605034273 /nfs/dbraw/zinc/03/42/73/605034273.db2.gz HFRBHVNYDJKRGZ-UHFFFAOYSA-N -1 0 332.368 3.936 20 0 EHADRM C[C@H](C(=O)O[C@@H](C(=O)[O-])c1ccccc1F)c1c(F)cccc1F ZINC000833406264 605035948 /nfs/dbraw/zinc/03/59/48/605035948.db2.gz MHMBISLJPZOGIT-BJOHPYRUSA-N -1 0 338.281 3.577 20 0 EHADRM C[C@@H](C(=O)O[C@H](C(=O)[O-])c1ccccc1F)c1c(F)cccc1F ZINC000833406267 605035958 /nfs/dbraw/zinc/03/59/58/605035958.db2.gz MHMBISLJPZOGIT-PSLIRLAXSA-N -1 0 338.281 3.577 20 0 EHADRM C[C@H](C(=O)OCc1ccc(C(=O)[O-])cc1F)c1c(F)cccc1F ZINC000833409448 605036286 /nfs/dbraw/zinc/03/62/86/605036286.db2.gz MBSIHDOHKNXFNY-VIFPVBQESA-N -1 0 338.281 3.649 20 0 EHADRM CC(C)n1cccc1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000833513791 605043782 /nfs/dbraw/zinc/04/37/82/605043782.db2.gz RWOYXLCHCHCHCC-UHFFFAOYSA-N -1 0 330.384 3.565 20 0 EHADRM CC(C)n1cccc1C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833513217 605044896 /nfs/dbraw/zinc/04/48/96/605044896.db2.gz FOGHGOMZYFJCBG-INIZCTEOSA-N -1 0 328.412 3.651 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)NC2(C(=O)[O-])CCSCC2)cc1 ZINC000263024000 605047209 /nfs/dbraw/zinc/04/72/09/605047209.db2.gz YPFODXPKESDCEI-ONEGZZNKSA-N -1 0 347.480 3.680 20 0 EHADRM C[C@@H](C(=O)OCc1ccccc1CC(=O)[O-])c1cccc(Cl)c1 ZINC000833409220 605056015 /nfs/dbraw/zinc/05/60/15/605056015.db2.gz JDYJQYHFABWEAS-GFCCVEGCSA-N -1 0 332.783 3.814 20 0 EHADRM O=C([O-])C1CCC(NC(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000821411091 605061532 /nfs/dbraw/zinc/06/15/32/605061532.db2.gz CDNMYLYOLUFQOT-UHFFFAOYSA-N -1 0 349.736 3.732 20 0 EHADRM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)C2CCC(C(=O)[O-])CC2)C1 ZINC000192968638 605087525 /nfs/dbraw/zinc/08/75/25/605087525.db2.gz QSWACRQFGIFCGJ-VWLISTAJSA-N -1 0 333.403 3.626 20 0 EHADRM C[C@H]1CC[C@]2(CCN(C(=O)Nc3cc(C(=O)[O-])c(F)cc3F)C2)C1 ZINC000833609201 605091426 /nfs/dbraw/zinc/09/14/26/605091426.db2.gz GHFXNWHTBZVPAF-BTDLBPIBSA-N -1 0 338.354 3.707 20 0 EHADRM C[C@H]1CC[C@H](NC(=O)Nc2nc(CC(=O)[O-])cs2)c2ccccc21 ZINC000833602591 605092129 /nfs/dbraw/zinc/09/21/29/605092129.db2.gz FWDVSYJCFVPVQT-HZMBPMFUSA-N -1 0 345.424 3.530 20 0 EHADRM CC(C)N(Cc1cccc(Cl)c1)C(=O)CC(C)(C)CC(=O)[O-] ZINC000236798651 605109288 /nfs/dbraw/zinc/10/92/88/605109288.db2.gz PFFMUELJGMHJHH-UHFFFAOYSA-N -1 0 325.836 3.968 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CC[C@@]2(CC[C@@H](C)C2)C1)C(=O)[O-] ZINC000450537647 605118682 /nfs/dbraw/zinc/11/86/82/605118682.db2.gz DHISHRZKLQMXRY-BIENJYKASA-N -1 0 347.480 3.904 20 0 EHADRM C[C@@H]1CC[C@@H](NC(=O)N2CCC(CC(=O)[O-])CC2)c2ccccc21 ZINC000833604036 605127643 /nfs/dbraw/zinc/12/76/43/605127643.db2.gz PWCYOUMAVKGZEW-CXAGYDPISA-N -1 0 330.428 3.521 20 0 EHADRM C[C@H]1CCCCN1C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000132482613 605127681 /nfs/dbraw/zinc/12/76/81/605127681.db2.gz LXGZWXJKVSYTFT-VIFPVBQESA-N -1 0 341.205 3.554 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)Nc2nc(-c3ccc(C(=O)[O-])cc3)cs2)C1 ZINC000833606789 605129889 /nfs/dbraw/zinc/12/98/89/605129889.db2.gz VXQHVHSQTWURCX-ZWNOBZJWSA-N -1 0 330.409 3.883 20 0 EHADRM C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC000833593994 605134402 /nfs/dbraw/zinc/13/44/02/605134402.db2.gz WGUHVDKMVOTIMU-PWSUYJOCSA-N -1 0 349.452 3.659 20 0 EHADRM C[C@@H]1C[C@H](C(=O)Nc2sc3c(c2C(=O)[O-])CCCCC3)CCC1=O ZINC000833590188 605146837 /nfs/dbraw/zinc/14/68/37/605146837.db2.gz OTDDEGMFTNKJGR-GHMZBOCLSA-N -1 0 349.452 3.659 20 0 EHADRM C[C@@H]1CCC[C@@H](OCCCCCC(=O)NC2(C(=O)[O-])CCCC2)C1 ZINC000833611192 605152040 /nfs/dbraw/zinc/15/20/40/605152040.db2.gz WVCCFYAJYZBNFT-HZPDHXFCSA-N -1 0 339.476 3.656 20 0 EHADRM CC(C)(C)C[C@H](Sc1nnc(Cc2cccs2)o1)C(=O)[O-] ZINC000833429726 605154254 /nfs/dbraw/zinc/15/42/54/605154254.db2.gz OFQKAQUSEVZQNO-JTQLQIEISA-N -1 0 326.443 3.703 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccc(F)c(Cl)c1 ZINC000833686488 605162569 /nfs/dbraw/zinc/16/25/69/605162569.db2.gz XMNWAQYGNXWKOU-UHFFFAOYSA-N -1 0 325.698 3.593 20 0 EHADRM CCC(CC)n1nc(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)cc1C ZINC000833641822 605165403 /nfs/dbraw/zinc/16/54/03/605165403.db2.gz PKBKZSLMBKOCQI-NSHDSACASA-N -1 0 334.372 3.762 20 0 EHADRM CC(C)CN(CCc1ccccc1)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000833486857 605171406 /nfs/dbraw/zinc/17/14/06/605171406.db2.gz TYZZWLMGCLOMMU-UHFFFAOYSA-N -1 0 341.411 3.512 20 0 EHADRM CN(C)c1cccc(CN(C)C(=O)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000828365701 605204548 /nfs/dbraw/zinc/20/45/48/605204548.db2.gz CPYRQNDXSSRXHS-UHFFFAOYSA-N -1 0 342.399 3.506 20 0 EHADRM C[C@H](c1ccco1)N(C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833550131 605206775 /nfs/dbraw/zinc/20/67/75/605206775.db2.gz SNBGDSIKJBKSGI-GFCCVEGCSA-N -1 0 326.352 3.826 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)[C@@H]2CCCC[C@H]21 ZINC000833621542 605226458 /nfs/dbraw/zinc/22/64/58/605226458.db2.gz JENOXULZFVGFOE-HFBDOXOYSA-N -1 0 338.354 3.705 20 0 EHADRM CC[C@@H](C)Oc1cc(C(=O)Oc2ccc(NC(=O)[O-])cc2)ccn1 ZINC000833641418 605230686 /nfs/dbraw/zinc/23/06/86/605230686.db2.gz YGHAXNIEEKRKCU-LLVKDONJSA-N -1 0 330.340 3.568 20 0 EHADRM CCCOc1ccc([C@H](C)NC(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC000833651888 605231682 /nfs/dbraw/zinc/23/16/82/605231682.db2.gz FTJFQMCEJQYYDW-AWEZNQCLSA-N -1 0 341.407 3.594 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)c1cc(-c2cccc(F)c2)no1)C(=O)[O-] ZINC000833428639 605236633 /nfs/dbraw/zinc/23/66/33/605236633.db2.gz VWWLTEYDBMTRMV-AWEZNQCLSA-N -1 0 335.331 3.527 20 0 EHADRM O=C([O-])N1CCc2cccc(CNc3ccc(-n4ccnc4)cc3)c21 ZINC000832087378 605238549 /nfs/dbraw/zinc/23/85/49/605238549.db2.gz RWSTUORVGAPLCK-UHFFFAOYSA-N -1 0 334.379 3.525 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)c1cc(Oc2ccccc2)ccn1)C(=O)[O-] ZINC000833426705 605239028 /nfs/dbraw/zinc/23/90/28/605239028.db2.gz IJQNKFGOWJSZRR-INIZCTEOSA-N -1 0 343.379 3.920 20 0 EHADRM CC(C)C[C@H]1C[C@H](NC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)CCO1 ZINC000833484257 605239341 /nfs/dbraw/zinc/23/93/41/605239341.db2.gz UREUXOOIKGXRLA-ZBFHGGJFSA-N -1 0 349.431 3.516 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccc(NC2CCN(C(=O)[O-])CC2)cc1 ZINC000823828263 605242059 /nfs/dbraw/zinc/24/20/59/605242059.db2.gz VFVBJCCFQAXRIK-UHFFFAOYSA-N -1 0 335.404 3.588 20 0 EHADRM CC(C)(C)c1ccc(SCC(=O)Nc2ccc(C(=O)[O-])nc2)cc1 ZINC000833449337 605249930 /nfs/dbraw/zinc/24/99/30/605249930.db2.gz IJPTXMSNZZHAOQ-UHFFFAOYSA-N -1 0 344.436 3.808 20 0 EHADRM O=C([O-])N(CC(=O)N1CCC[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000831819943 605252783 /nfs/dbraw/zinc/25/27/83/605252783.db2.gz BWQUIVMCBLWBPV-KRWDZBQOSA-N -1 0 342.370 3.674 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(C(=O)[O-])nc1)c1ccccc1C(F)(F)F ZINC000833407274 605252964 /nfs/dbraw/zinc/25/29/64/605252964.db2.gz AUJPZCZQDGWQMN-SECBINFHSA-N -1 0 338.285 3.541 20 0 EHADRM CCOc1cc(Cl)ccc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000347346133 605258698 /nfs/dbraw/zinc/25/86/98/605258698.db2.gz MACGRULIHGFPCM-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM COc1ccc2oc([C@H](C)NC(=O)CC(C)(C)CC(=O)[O-])c(C)c2c1 ZINC000237342978 605259748 /nfs/dbraw/zinc/25/97/48/605259748.db2.gz VKEHYIGNJGCXDD-LBPRGKRZSA-N -1 0 347.411 3.818 20 0 EHADRM Cc1cccc(Oc2ccc(NC(=O)c3cc(C(=O)[O-])no3)cc2)c1 ZINC000833753589 605262172 /nfs/dbraw/zinc/26/21/72/605262172.db2.gz SHAXHDSNJOXNSC-UHFFFAOYSA-N -1 0 338.319 3.726 20 0 EHADRM C[C@@H](NC(=O)[C@H](C)Nc1ccc(NC(=O)[O-])c(F)c1)c1ccccc1 ZINC000833527351 605263429 /nfs/dbraw/zinc/26/34/29/605263429.db2.gz YCAONPDEUIZQCW-NEPJUHHUSA-N -1 0 345.374 3.593 20 0 EHADRM CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)CC(C)(C)CC(=O)[O-] ZINC000236907612 605264048 /nfs/dbraw/zinc/26/40/48/605264048.db2.gz MUQUQIXZBOTUHH-CQSZACIVSA-N -1 0 335.444 3.680 20 0 EHADRM CCOc1ccc(NC(=O)CN(C(=O)[O-])c2ccccc2)c(C)c1 ZINC000827440053 605270131 /nfs/dbraw/zinc/27/01/31/605270131.db2.gz WZQIRQJUIYEBGS-UHFFFAOYSA-N -1 0 328.368 3.517 20 0 EHADRM CCC(CC)[C@H]1C[C@@H](NC(=O)Nc2cc(C(=O)[O-])ccc2C)CCO1 ZINC000833642804 605302283 /nfs/dbraw/zinc/30/22/83/605302283.db2.gz UAQJZAZPALCYAW-DOTOQJQBSA-N -1 0 348.443 3.799 20 0 EHADRM C[C@H](Oc1ccccc1)C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000191471208 605302282 /nfs/dbraw/zinc/30/22/82/605302282.db2.gz WVSLLRLLXPMVKS-IFXJQAMLSA-N -1 0 349.386 3.549 20 0 EHADRM C[C@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1)c1ccncc1 ZINC000833514131 605303875 /nfs/dbraw/zinc/30/38/75/605303875.db2.gz OTFGAWFPUNDQSA-JLTOFOAXSA-N -1 0 348.402 3.671 20 0 EHADRM Cc1cccc(C2(C(=O)Nc3ccc(NC(=O)[O-])c(F)c3)CC2)c1 ZINC000833752541 605304236 /nfs/dbraw/zinc/30/42/36/605304236.db2.gz MFPKHAMQPZQHSH-UHFFFAOYSA-N -1 0 328.343 3.894 20 0 EHADRM Cc1cccc(C2(C(=O)OCc3ccc(NC(=O)[O-])cc3)CC2)c1 ZINC000833752542 605305789 /nfs/dbraw/zinc/30/57/89/605305789.db2.gz MGDCLPXMUHDQJJ-UHFFFAOYSA-N -1 0 325.364 3.860 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000834272348 605358410 /nfs/dbraw/zinc/35/84/10/605358410.db2.gz PPXWAQNMDGOTTB-KRWDZBQOSA-N -1 0 342.370 3.652 20 0 EHADRM CC[C@@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2)CC[C@@H]1NC(=O)[O-] ZINC000833852182 605359947 /nfs/dbraw/zinc/35/99/47/605359947.db2.gz YLSOZCVTMYYJKT-RNCFNFMXSA-N -1 0 345.226 3.502 20 0 EHADRM C[C@H]1CCC[C@H]1C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000226514119 605365928 /nfs/dbraw/zinc/36/59/28/605365928.db2.gz HJTWVPLQXLFRPZ-WCBMZHEXSA-N -1 0 326.190 3.522 20 0 EHADRM O=C([O-])N1CC[C@H](CNC(=O)N(c2ccccc2)c2ccccc2)C1 ZINC000834080047 605429273 /nfs/dbraw/zinc/42/92/73/605429273.db2.gz ZOSLXPNQRVPODJ-OAHLLOKOSA-N -1 0 339.395 3.534 20 0 EHADRM C/C(=C\CN1CCC[C@@H]1c1ccc(Br)s1)C(=O)[O-] ZINC000833381889 605431230 /nfs/dbraw/zinc/43/12/30/605431230.db2.gz FPCACBGICHORNV-OLKPEBQYSA-N -1 0 330.247 3.678 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000833383227 605436462 /nfs/dbraw/zinc/43/64/62/605436462.db2.gz IYEYWTGYVAZJKX-XNTDXEJSSA-N -1 0 339.391 3.809 20 0 EHADRM O=C([O-])N1CC[C@@H](CCC(=O)N2CCCCC[C@@H]2c2ccco2)C1 ZINC000834073315 605475822 /nfs/dbraw/zinc/47/58/22/605475822.db2.gz CFLGUGRDMJCHFD-HUUCEWRRSA-N -1 0 334.416 3.503 20 0 EHADRM C[C@H]1C[C@H](NC(=O)[O-])CCN1c1nc(-c2ccc(F)cc2)cs1 ZINC000825844770 605484529 /nfs/dbraw/zinc/48/45/29/605484529.db2.gz LOEVPKXNTVVBAS-GXFFZTMASA-N -1 0 335.404 3.574 20 0 EHADRM CC(C)OCc1ccc(C(=O)OCc2ccccc2C(=O)[O-])cc1 ZINC000833505772 605497284 /nfs/dbraw/zinc/49/72/84/605497284.db2.gz SFIXCORXDIYQSY-UHFFFAOYSA-N -1 0 328.364 3.667 20 0 EHADRM Cc1ccc2cc(C(=O)Nc3cccc4c3CCN4C(=O)[O-])ccc2n1 ZINC000830453395 605533221 /nfs/dbraw/zinc/53/32/21/605533221.db2.gz IBZJEMSEEJIJED-UHFFFAOYSA-N -1 0 347.374 3.836 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)c1 ZINC000834263549 605542731 /nfs/dbraw/zinc/54/27/31/605542731.db2.gz BOQZCPXTQQCHPT-UHFFFAOYSA-N -1 0 346.293 3.843 20 0 EHADRM CC(C)(C)OC(=O)N1CCC(Nc2ccc(CCC(=O)[O-])cc2)CC1 ZINC000833437067 605545407 /nfs/dbraw/zinc/54/54/07/605545407.db2.gz PBLSIOKMIRRFLY-UHFFFAOYSA-N -1 0 348.443 3.515 20 0 EHADRM C[C@H](NC(=O)C[C@@H](NC(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000825102740 605567448 /nfs/dbraw/zinc/56/74/48/605567448.db2.gz WDURQRFPHDKUIB-MEDUHNTESA-N -1 0 348.349 3.541 20 0 EHADRM C[C@@H]1CN(C(=O)C[C@@H](NC(=O)[O-])c2ccccc2)Cc2ccccc21 ZINC000825974408 605568446 /nfs/dbraw/zinc/56/84/46/605568446.db2.gz IPIORTUSFNKFRU-RDTXWAMCSA-N -1 0 338.407 3.531 20 0 EHADRM O=C([O-])Nc1cccc(CSc2n[nH]c(-c3ccccc3)n2)c1 ZINC000834269964 605576412 /nfs/dbraw/zinc/57/64/12/605576412.db2.gz ZFPCQTNYAWLQPX-UHFFFAOYSA-N -1 0 326.381 3.854 20 0 EHADRM Cc1cc(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)ccc1NC(=O)[O-] ZINC000829938937 605577996 /nfs/dbraw/zinc/57/79/96/605577996.db2.gz AGPZJYPIZHRMRS-JTQLQIEISA-N -1 0 334.322 3.854 20 0 EHADRM C[C@H](NC(=O)C[C@@H](NC(=O)[O-])c1ccccc1)c1cc(F)ccc1F ZINC000825101246 605579253 /nfs/dbraw/zinc/57/92/53/605579253.db2.gz NXFIKPAHCCWLMU-MEDUHNTESA-N -1 0 348.349 3.541 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)c3scnc3C3CC3)ccc21 ZINC000834054662 605583249 /nfs/dbraw/zinc/58/32/49/605583249.db2.gz XGSFTKONZBHKBC-UHFFFAOYSA-N -1 0 343.408 3.703 20 0 EHADRM CC[C@H](C)[C@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000621553736 605605153 /nfs/dbraw/zinc/60/51/53/605605153.db2.gz IZSQNUWICCBAIN-UWVGGRQHSA-N -1 0 347.333 3.947 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2cccc(-c3cn[nH]c3)c2)ccc1F ZINC000834254575 605641611 /nfs/dbraw/zinc/64/16/11/605641611.db2.gz AINZKFDYYOSMGJ-UHFFFAOYSA-N -1 0 340.314 3.558 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NCCCc2cccs2)c(Cl)c1 ZINC000834255782 605646005 /nfs/dbraw/zinc/64/60/05/605646005.db2.gz KNMYTLPTADOUTR-UHFFFAOYSA-N -1 0 338.816 3.854 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)O[C@H](c2ccccn2)C(F)(F)F)cc1 ZINC000834254723 605658324 /nfs/dbraw/zinc/65/83/24/605658324.db2.gz CISWWZDVKKWMSA-GFCCVEGCSA-N -1 0 340.257 3.632 20 0 EHADRM Cc1cc(C(=O)N[C@H]2CCCOc3ccccc32)ccc1NC(=O)[O-] ZINC000829939011 605660969 /nfs/dbraw/zinc/66/09/69/605660969.db2.gz AVVXNFXOPLVSQY-INIZCTEOSA-N -1 0 340.379 3.729 20 0 EHADRM Cc1cc(C(=O)N[C@@H]2CCc3ccc(F)cc32)ccc1NC(=O)[O-] ZINC000829941820 605680419 /nfs/dbraw/zinc/68/04/19/605680419.db2.gz ZJSPNLPJJGXYOU-MRXNPFEDSA-N -1 0 328.343 3.641 20 0 EHADRM Cc1cc(C(=O)NCC2(c3cccc(F)c3)CC2)ccc1NC(=O)[O-] ZINC000829945654 605697732 /nfs/dbraw/zinc/69/77/32/605697732.db2.gz LNTNDZCVIVRGSH-UHFFFAOYSA-N -1 0 342.370 3.686 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N1CCS[C@H](c2ccccc2)C1 ZINC000740048198 605699675 /nfs/dbraw/zinc/69/96/75/605699675.db2.gz ZIZSZJXNNNRYBQ-INIZCTEOSA-N -1 0 342.420 3.707 20 0 EHADRM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000833607073 605709947 /nfs/dbraw/zinc/70/99/47/605709947.db2.gz YWGUNGDUCMQSKN-NXEZZACHSA-N -1 0 345.321 3.971 20 0 EHADRM Cc1cncc(/C=C/c2nc([C@@H]3CCCCCN3C(=O)[O-])no2)c1 ZINC000833912925 605723614 /nfs/dbraw/zinc/72/36/14/605723614.db2.gz VEZNDDCJQMMTLV-UZYOAWRESA-N -1 0 328.372 3.539 20 0 EHADRM O=C([O-])N[C@@H]1CCCCCC[C@@H]1C(=O)Nc1scnc1C1CC1 ZINC000834185478 605756649 /nfs/dbraw/zinc/75/66/49/605756649.db2.gz PTFKIYKPZHLEQY-NWDGAFQWSA-N -1 0 337.445 3.566 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N(Cc2cccc(F)c2)C2CC2)c1 ZINC000834265435 605761919 /nfs/dbraw/zinc/76/19/19/605761919.db2.gz VOPZYULKWCGUSH-UHFFFAOYSA-N -1 0 342.370 3.649 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N2CCCC[C@H]2c2nccs2)c1 ZINC000834265067 605771682 /nfs/dbraw/zinc/77/16/82/605771682.db2.gz LJXIPNCUARSKDP-AWEZNQCLSA-N -1 0 345.424 3.529 20 0 EHADRM O=C([O-])N1CCCN1C(=O)CCCc1cc(Cl)sc1Cl ZINC000834110213 605791638 /nfs/dbraw/zinc/79/16/38/605791638.db2.gz MIYYMGMQTJTSRP-UHFFFAOYSA-N -1 0 337.228 3.505 20 0 EHADRM C[C@H](OC(=O)CCc1ccc(C(=O)[O-])cc1)c1nc(C2CC2)cs1 ZINC000833528870 605795765 /nfs/dbraw/zinc/79/57/65/605795765.db2.gz LVWPFOAMBPLEBF-NSHDSACASA-N -1 0 345.420 3.956 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)C2(c3cccc(F)c3)CCC2)c(F)c1 ZINC000833775667 605804024 /nfs/dbraw/zinc/80/40/24/605804024.db2.gz PRLKQSQMQSOMKJ-UHFFFAOYSA-N -1 0 346.329 3.619 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)C[C@@H]2CCCc3ccccc32)c(F)c1 ZINC000833776539 605804847 /nfs/dbraw/zinc/80/48/47/605804847.db2.gz KWYHLMAETZDPLO-HNNXBMFYSA-N -1 0 342.366 3.868 20 0 EHADRM O=C([O-])c1ccc(F)c(COC(=O)c2ccc(F)cc2Cl)c1 ZINC000833781127 605809981 /nfs/dbraw/zinc/80/99/81/605809981.db2.gz RABGKHDIUXSODA-UHFFFAOYSA-N -1 0 326.682 3.673 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)Oc2ccc(N3CCCC3)cc2)c1 ZINC000834268793 605814236 /nfs/dbraw/zinc/81/42/36/605814236.db2.gz MARBICIIDMESAH-UHFFFAOYSA-N -1 0 340.379 3.525 20 0 EHADRM O=C([O-])c1ccc(F)c(COC(=O)[C@@H]2CCSc3ccccc32)c1 ZINC000833781225 605816748 /nfs/dbraw/zinc/81/67/48/605816748.db2.gz WDSBXHUATRKFDK-CQSZACIVSA-N -1 0 346.379 3.847 20 0 EHADRM CC(C)c1nc(C2(NCc3cc(C(=O)[O-])ccc3F)CCCC2)no1 ZINC000833512965 605835554 /nfs/dbraw/zinc/83/55/54/605835554.db2.gz WZCQKNDCQOCTTD-UHFFFAOYSA-N -1 0 347.390 3.589 20 0 EHADRM CCc1nc(C2(NCc3cc(C(=O)[O-])ccc3Cl)CCCC2)no1 ZINC000833673608 605835727 /nfs/dbraw/zinc/83/57/27/605835727.db2.gz KYNLXAUOHNFOSB-UHFFFAOYSA-N -1 0 349.818 3.543 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)OCc2nc(C(F)(F)F)cs2)c1 ZINC000834265206 605851292 /nfs/dbraw/zinc/85/12/92/605851292.db2.gz TUDJGLQXYMELHU-UHFFFAOYSA-N -1 0 346.286 3.609 20 0 EHADRM Cc1cc(C(=O)NC2CCC(C(F)(F)F)CC2)ccc1NC(=O)[O-] ZINC000829941086 605876531 /nfs/dbraw/zinc/87/65/31/605876531.db2.gz QPVOAHBBPUQPTP-UHFFFAOYSA-N -1 0 344.333 3.936 20 0 EHADRM O=C([O-])NCCCCc1nc(-c2c(Cl)cccc2Cl)no1 ZINC000834237414 605892141 /nfs/dbraw/zinc/89/21/41/605892141.db2.gz DTSGWHWEZGBXFN-UHFFFAOYSA-N -1 0 330.171 3.634 20 0 EHADRM O=C([O-])NCCCCC(=O)N1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000834235823 605925765 /nfs/dbraw/zinc/92/57/65/605925765.db2.gz YTJPAZLIZIELMR-SWNWVQGVSA-N -1 0 344.455 3.909 20 0 EHADRM O=C([O-])NC1CCN(C(=O)C2(C3CCCCC3)CCCCC2)CC1 ZINC000834187419 605997240 /nfs/dbraw/zinc/99/72/40/605997240.db2.gz XVJJSSBOHUVOPD-UHFFFAOYSA-N -1 0 336.476 3.776 20 0 EHADRM O=C([O-])N[C@@H](CC(F)F)C(=O)Nc1ccc2oc3ccccc3c2c1 ZINC000834134293 606002971 /nfs/dbraw/zinc/00/29/71/606002971.db2.gz QTIUNZWPZDJOMB-LBPRGKRZSA-N -1 0 348.305 3.816 20 0 EHADRM O=C([O-])N[C@@H](CC(F)F)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000834132728 606004255 /nfs/dbraw/zinc/00/42/55/606004255.db2.gz GAFQARGBAMKJIO-HNNXBMFYSA-N -1 0 348.349 3.507 20 0 EHADRM O=C([O-])N[C@H](CC(F)F)c1nc(C23CC4CC(CC(C4)C2)C3)no1 ZINC000834136048 606009327 /nfs/dbraw/zinc/00/93/27/606009327.db2.gz BSVPDIKBYYKTGG-IFNLPMENSA-N -1 0 341.358 3.501 20 0 EHADRM O=C([O-])Nc1cccc(CSCc2ncn(-c3ccccc3)n2)c1 ZINC000834269701 606011040 /nfs/dbraw/zinc/01/10/40/606011040.db2.gz NMMFFNPXDJTGHI-UHFFFAOYSA-N -1 0 340.408 3.791 20 0 EHADRM O=C([O-])N1CCCc2cccc(OC[C@H](O)c3ccc(F)c(F)c3)c21 ZINC000834116291 606038621 /nfs/dbraw/zinc/03/86/21/606038621.db2.gz RDPCXJICOKDPJM-HNNXBMFYSA-N -1 0 349.333 3.508 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)/C=C/c2ccc3[nH]ccc3c2)c1 ZINC000834247626 606044702 /nfs/dbraw/zinc/04/47/02/606044702.db2.gz PCQZERGZFZWXQU-FNORWQNLSA-N -1 0 335.363 3.587 20 0 EHADRM CC(C)COc1cccc(NC(=O)Cc2ccccc2NC(=O)[O-])c1 ZINC000833795959 606047417 /nfs/dbraw/zinc/04/74/17/606047417.db2.gz BTVQROZAQRZEFE-UHFFFAOYSA-N -1 0 342.395 3.993 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)Nc1ccc(F)cc1NC1CC1 ZINC000834274265 606070471 /nfs/dbraw/zinc/07/04/71/606070471.db2.gz TWOAIHOANDUEGW-UHFFFAOYSA-N -1 0 343.358 3.671 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NCCCCOc2ccc(F)cc2)cc1 ZINC000834255227 606085075 /nfs/dbraw/zinc/08/50/75/606085075.db2.gz HYGUSPCRZXYDSW-UHFFFAOYSA-N -1 0 346.358 3.505 20 0 EHADRM O=C([O-])N1CCc2cc(N[C@@H]3CC[C@H]4SCCS[C@@H]34)ccc21 ZINC000834121625 606103937 /nfs/dbraw/zinc/10/39/37/606103937.db2.gz BGQJSBKIVXTJJW-YUELXQCFSA-N -1 0 336.482 3.519 20 0 EHADRM O=C([O-])C1(NC(=O)c2ccc(-c3ccc(F)cc3)o2)CCCCC1 ZINC000013168591 939030684 /nfs/dbraw/zinc/03/06/84/939030684.db2.gz QDPZSVGKCXSUJC-UHFFFAOYSA-N -1 0 331.343 3.603 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccccc1Cl)c1ccc(Cl)c(F)c1 ZINC000181904232 939034239 /nfs/dbraw/zinc/03/42/39/939034239.db2.gz HYURPAOAIPRIHK-ZDUSSCGKSA-N -1 0 342.153 3.688 20 0 EHADRM Cc1cccc2c(CCC(=O)NC3(C(=O)[O-])CCC(C)CC3)c[nH]c21 ZINC000236797875 939044229 /nfs/dbraw/zinc/04/42/29/939044229.db2.gz HHIWJJQVBKCWQA-UHFFFAOYSA-N -1 0 342.439 3.559 20 0 EHADRM CC(C)c1ccc(OCCC(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000236677641 939044310 /nfs/dbraw/zinc/04/43/10/939044310.db2.gz SUHOVABESZRHIA-LJQANCHMSA-N -1 0 341.407 3.521 20 0 EHADRM C[C@@H](C(=O)NC1(C(=O)[O-])CCC(C)CC1)c1cc2ccccc2o1 ZINC000236809483 939044909 /nfs/dbraw/zinc/04/49/09/939044909.db2.gz SRJYVTSXVKWXOE-FWHMADFJSA-N -1 0 329.396 3.686 20 0 EHADRM CCCOc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000684743528 939045396 /nfs/dbraw/zinc/04/53/96/939045396.db2.gz HFNHJMAKIXVCPS-INIZCTEOSA-N -1 0 346.358 3.562 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000237569148 939047155 /nfs/dbraw/zinc/04/71/55/939047155.db2.gz ACACMMIZIQOKSA-XHDPSFHLSA-N -1 0 349.839 3.763 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc(F)c(Cl)cc1Cl)c1ccccc1 ZINC000238013209 939054786 /nfs/dbraw/zinc/05/47/86/939054786.db2.gz ZTZROEKPPYBZHX-ZDUSSCGKSA-N -1 0 342.153 3.688 20 0 EHADRM O=C(/C=C\c1ccsc1)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000762207265 939071419 /nfs/dbraw/zinc/07/14/19/939071419.db2.gz PTJNIOKAIMPZOU-MTIYJEKLSA-N -1 0 337.400 3.857 20 0 EHADRM Cc1ccsc1[C@H]1C[C@H]1C(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC000263035728 939094729 /nfs/dbraw/zinc/09/47/29/939094729.db2.gz REWOWNSYVPIALN-XHSDSOJGSA-N -1 0 343.448 3.719 20 0 EHADRM Cc1cc(C)cc([C@H](NC(=O)Cc2ccc(Cl)s2)C(=O)[O-])c1 ZINC000263050802 939096088 /nfs/dbraw/zinc/09/60/88/939096088.db2.gz NXGLBJBVUYOYOG-HNNXBMFYSA-N -1 0 337.828 3.503 20 0 EHADRM C/C(=C\C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000776688470 939105614 /nfs/dbraw/zinc/10/56/14/939105614.db2.gz PAXHVGKMDQDIJN-KAMXEHQASA-N -1 0 347.773 3.825 20 0 EHADRM CCC[C@H](NC(=O)N[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000780369959 939111192 /nfs/dbraw/zinc/11/11/92/939111192.db2.gz LPSGVMLWFCSOEP-IRXDYDNUSA-N -1 0 326.396 3.653 20 0 EHADRM Cc1ccc([C@@H](NC(=O)Cc2ccc(Cl)s2)C(=O)[O-])cc1C ZINC000263548390 939116070 /nfs/dbraw/zinc/11/60/70/939116070.db2.gz VEQHCIAEJVJNEG-OAHLLOKOSA-N -1 0 337.828 3.503 20 0 EHADRM C[C@@](NC(=O)c1cc(Cl)ccc1Cl)(C(=O)[O-])c1ccccc1 ZINC000315124802 939121513 /nfs/dbraw/zinc/12/15/13/939121513.db2.gz XTRCRMXARRYITC-INIZCTEOSA-N -1 0 338.190 3.723 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000323921349 939125480 /nfs/dbraw/zinc/12/54/80/939125480.db2.gz VJXPVRVQXKRJKE-UHFFFAOYSA-N -1 0 333.359 3.788 20 0 EHADRM CCOc1ccccc1[C@@H](CC)NC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000780513183 939129853 /nfs/dbraw/zinc/12/98/53/939129853.db2.gz MRSYBZATEIXWBK-OAHLLOKOSA-N -1 0 348.443 3.623 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2ccc(C(F)F)cc2)CCCCCC1 ZINC000386306418 939132719 /nfs/dbraw/zinc/13/27/19/939132719.db2.gz AKFFJXWYOVCXLG-UHFFFAOYSA-N -1 0 326.343 3.923 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)N[C@@](C)(C(=O)[O-])c3ccccc3)cc2C1 ZINC000392046109 939136414 /nfs/dbraw/zinc/13/64/14/939136414.db2.gz RHBKZAIUDNMFHB-CWTRNNRKSA-N -1 0 343.448 3.603 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@H]1CCC[C@H](F)C1)c1ccc2ccccc2c1 ZINC000425244587 939141579 /nfs/dbraw/zinc/14/15/79/939141579.db2.gz SCTCHGGAQOVVSI-ULQDDVLXSA-N -1 0 329.371 3.610 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@H]1CCC[C@H](F)C1)c1ccc(Cl)cc1Cl ZINC000425241899 939141752 /nfs/dbraw/zinc/14/17/52/939141752.db2.gz NYXHCJAIZPQGFA-FWDPORAESA-N -1 0 348.201 3.764 20 0 EHADRM Cc1ccc([C@@H](NC(=O)Nc2nc(C3CC3)cs2)C(=O)[O-])cc1C ZINC000788320728 939149868 /nfs/dbraw/zinc/14/98/68/939149868.db2.gz DTOSYLICOGAPLP-CQSZACIVSA-N -1 0 345.424 3.585 20 0 EHADRM CC(C)c1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)on1 ZINC000431878091 939166936 /nfs/dbraw/zinc/16/69/36/939166936.db2.gz OQWNDQBXLJFDLJ-QGZVFWFLSA-N -1 0 338.363 3.507 20 0 EHADRM CC[C@@](NC(=O)[C@@H](C)Cc1ccc(C)cc1)(C(=O)[O-])c1ccccc1 ZINC000439900578 939202947 /nfs/dbraw/zinc/20/29/47/939202947.db2.gz XQGRRUSVGBHLOU-KKSFZXQISA-N -1 0 339.435 3.680 20 0 EHADRM CCc1cc(C(=O)N[C@@](CC)(C(=O)[O-])c2ccccc2)oc1CC ZINC000439894599 939203186 /nfs/dbraw/zinc/20/31/86/939203186.db2.gz OIJAIENPWZCRLN-LJQANCHMSA-N -1 0 329.396 3.524 20 0 EHADRM CCCC[C@@H](CC)C(=O)N[C@H](C(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000447892326 939204667 /nfs/dbraw/zinc/20/46/67/939204667.db2.gz GWUFPCZKUAJQBM-RISCZKNCSA-N -1 0 343.370 3.746 20 0 EHADRM Cc1ccc([C@@H](NC(=O)[C@H]2CCCc3sccc32)C(=O)[O-])cc1C ZINC000448992646 939205706 /nfs/dbraw/zinc/20/57/06/939205706.db2.gz MACVJOUALYVBNL-DOTOQJQBSA-N -1 0 343.448 3.727 20 0 EHADRM CC[C@@H](CC(=O)N[C@H](C(=O)[O-])c1cccs1)c1ccc(OC)cc1 ZINC000448994724 939206104 /nfs/dbraw/zinc/20/61/04/939206104.db2.gz PEHSUQZJKIHEDA-SJCJKPOMSA-N -1 0 347.436 3.583 20 0 EHADRM CC[C@](NC(=O)Cc1ccc2ccccc2c1)(C(=O)[O-])c1ccccc1 ZINC000485378625 939228911 /nfs/dbraw/zinc/22/89/11/939228911.db2.gz YRAFBFHRPGDINB-JOCHJYFZSA-N -1 0 347.414 3.889 20 0 EHADRM CC[C@](NC(=O)Cc1cccc(F)c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507311393 939234278 /nfs/dbraw/zinc/23/42/78/939234278.db2.gz MYZILVNFKGHMNY-GOSISDBHSA-N -1 0 349.789 3.528 20 0 EHADRM CC(C)(C)OC(=O)N[C@@](C)(C(=O)[O-])c1ccc(-c2ccco2)cc1 ZINC000863973159 939246272 /nfs/dbraw/zinc/24/62/72/939246272.db2.gz FIQCBKJOWVCHGR-GOSISDBHSA-N -1 0 331.368 3.771 20 0 EHADRM O=C([O-])C1(NC(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)CCCC1 ZINC000538473792 939274932 /nfs/dbraw/zinc/27/49/32/939274932.db2.gz DUULZCPECWTJJD-UHFFFAOYSA-N -1 0 340.423 3.564 20 0 EHADRM CC[C@](NC(=O)Nc1cccc(OC)c1C)(C(=O)[O-])c1ccccc1 ZINC000900330827 939275222 /nfs/dbraw/zinc/27/52/22/939275222.db2.gz WDEFQHKZIMPFJZ-LJQANCHMSA-N -1 0 342.395 3.515 20 0 EHADRM C[C@H](NC(=O)NC1(C(=O)[O-])CCC1)c1cc(F)c(Cl)cc1Cl ZINC000555845669 939304184 /nfs/dbraw/zinc/30/41/84/939304184.db2.gz WNSXUDNGPLAQAU-ZETCQYMHSA-N -1 0 349.189 3.500 20 0 EHADRM Cc1ccc(CNC(=O)N[C@H](C(=O)[O-])c2ccc(C)c(C)c2)c(C)c1 ZINC000562397931 939322913 /nfs/dbraw/zinc/32/29/13/939322913.db2.gz ABSLEMWLYBIKJW-SFHVURJKSA-N -1 0 340.423 3.545 20 0 EHADRM CSc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(F)c(C)c2)cc1 ZINC000562463874 939334502 /nfs/dbraw/zinc/33/45/02/939334502.db2.gz HLKZKZCWSRZNEZ-HNNXBMFYSA-N -1 0 348.399 3.803 20 0 EHADRM COc1ccc([C@H](NC(=O)Nc2ccc(C(C)C)cc2)C(=O)[O-])cc1 ZINC000563855614 939341577 /nfs/dbraw/zinc/34/15/77/939341577.db2.gz XWIYXBLVZRNWNE-KRWDZBQOSA-N -1 0 342.395 3.766 20 0 EHADRM O=C([O-])[C@@H](NC(=O)NC[C@H]1CC=CCC1)c1ccc2ccccc2c1 ZINC000565694764 939350640 /nfs/dbraw/zinc/35/06/40/939350640.db2.gz JSLLLJCGTDFOCX-KSSFIOAISA-N -1 0 338.407 3.621 20 0 EHADRM CCOc1c(Cl)cc(NC(=O)NC2(C(=O)[O-])CCC2)cc1Cl ZINC000567231291 939360513 /nfs/dbraw/zinc/36/05/13/939360513.db2.gz JDVYMRBZZUMLBQ-UHFFFAOYSA-N -1 0 347.198 3.521 20 0 EHADRM C[C@](NC(=O)Nc1ccc(CCC(F)(F)F)cc1)(C(=O)[O-])C1CC1 ZINC000570710935 939385674 /nfs/dbraw/zinc/38/56/74/939385674.db2.gz GHZXKBQZLJDUHM-OAHLLOKOSA-N -1 0 344.333 3.556 20 0 EHADRM C[C@](NC(=O)c1sc2cccc(F)c2c1Cl)(C(=O)[O-])C1CC1 ZINC000909319383 939393447 /nfs/dbraw/zinc/39/34/47/939393447.db2.gz YMBDDUKKYUGRTN-OAHLLOKOSA-N -1 0 341.791 3.677 20 0 EHADRM CSCCc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000573752875 939720841 /nfs/dbraw/zinc/72/08/41/939720841.db2.gz JEXYHWBNMGFKRG-MRXNPFEDSA-N -1 0 344.436 3.540 20 0 EHADRM Cc1cccc(CC(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)c1 ZINC000574953778 939730465 /nfs/dbraw/zinc/73/04/65/939730465.db2.gz LXXBNPVJAXECPT-HXUWFJFHSA-N -1 0 333.387 3.633 20 0 EHADRM Cc1cc(CCCC(=O)N[C@H](C(=O)[O-])c2ccsc2)c(C)s1 ZINC000578084265 939751479 /nfs/dbraw/zinc/75/14/79/939751479.db2.gz ULYDLLXEZGTRGL-HNNXBMFYSA-N -1 0 337.466 3.691 20 0 EHADRM CC(C)(C)OC1CC(CC(=O)N[C@]2(C(=O)[O-])CCCC(C)(C)C2)C1 ZINC000910214896 939752837 /nfs/dbraw/zinc/75/28/37/939752837.db2.gz FJXGTTIRJPBKLZ-SVGDTCPJSA-N -1 0 339.476 3.510 20 0 EHADRM CC1(C)CCC[C@@](NC(=O)c2cscc2C(F)F)(C(=O)[O-])C1 ZINC000910215833 939753484 /nfs/dbraw/zinc/75/34/84/939753484.db2.gz WYORWPUDPHBVTM-HNNXBMFYSA-N -1 0 331.384 3.839 20 0 EHADRM CCSc1ccc([C@@H](C)NC(=O)NC2(C(=O)[O-])CCCC2)cc1 ZINC000579026308 939758988 /nfs/dbraw/zinc/75/89/88/939758988.db2.gz SXQIJDBUABFVGM-GFCCVEGCSA-N -1 0 336.457 3.556 20 0 EHADRM O=C([O-])[C@@H](NC(=O)N[C@H]1CCSc2ccccc21)C1CCCCC1 ZINC000579994391 939766901 /nfs/dbraw/zinc/76/69/01/939766901.db2.gz FANQEJBOKNLGAF-HOCLYGCPSA-N -1 0 348.468 3.556 20 0 EHADRM CC(C)COc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000580609914 939772399 /nfs/dbraw/zinc/77/23/99/939772399.db2.gz FKGVWWOEMDZZGG-KRWDZBQOSA-N -1 0 342.395 3.669 20 0 EHADRM CCC[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccccn1)c1cccc(Cl)c1 ZINC000911482673 939774006 /nfs/dbraw/zinc/77/40/06/939774006.db2.gz FLXIMTYIOCTSRO-GDBMZVCRSA-N -1 0 346.814 3.561 20 0 EHADRM Cc1ccc([C@H](NC(=O)N[C@H](C)c2ccsc2)C(=O)[O-])cc1C ZINC000929034175 939795730 /nfs/dbraw/zinc/79/57/30/939795730.db2.gz MYNUAOJBNOPKDG-DOMZBBRYSA-N -1 0 332.425 3.551 20 0 EHADRM CC[C@](NC(=O)CC1CCC(F)(F)CC1)(C(=O)[O-])c1ccccc1 ZINC000630126592 939811767 /nfs/dbraw/zinc/81/17/67/939811767.db2.gz JOQFITPEEWUKKG-GOSISDBHSA-N -1 0 339.382 3.708 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CCc1ccc(C(F)F)cc1)c1cccs1 ZINC000630173600 939814006 /nfs/dbraw/zinc/81/40/06/939814006.db2.gz AGJPFHPWCWHIBY-AWEZNQCLSA-N -1 0 339.363 3.560 20 0 EHADRM Cc1cc([C@@H](NC(=O)CC2CCC(F)(F)CC2)C(=O)[O-])ccc1F ZINC000630187509 939814508 /nfs/dbraw/zinc/81/45/08/939814508.db2.gz AFPAXXTYFCJXMX-OAHLLOKOSA-N -1 0 343.345 3.592 20 0 EHADRM C[C@H](CCC(=O)N[C@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000649355564 939832591 /nfs/dbraw/zinc/83/25/91/939832591.db2.gz ZPOZWPCNRUSQJQ-QRWLVFNGSA-N -1 0 325.408 3.687 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)N[C@H](C(=O)[O-])C2CCCCCC2)c1 ZINC000653487572 939836355 /nfs/dbraw/zinc/83/63/55/939836355.db2.gz BIVRBJBZKQSELR-GUYCJALGSA-N -1 0 348.443 3.939 20 0 EHADRM CC(C)CC(=O)Nc1ccc(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)cc1 ZINC000663082197 939853337 /nfs/dbraw/zinc/85/33/37/939853337.db2.gz JZSASOZWLPKXTK-KRWDZBQOSA-N -1 0 346.427 3.501 20 0 EHADRM C[C@H](NC(=O)[C@H](C(=O)[O-])C1CCCC1)c1c(F)cccc1Cl ZINC000663097816 939854514 /nfs/dbraw/zinc/85/45/14/939854514.db2.gz FKYYPYJQVFETGV-LKFCYVNXSA-N -1 0 327.783 3.547 20 0 EHADRM O=C([O-])[C@H](NC(=O)CC1CC(F)(F)C1)c1ccc2ccccc2c1 ZINC000668283385 939860814 /nfs/dbraw/zinc/86/08/14/939860814.db2.gz PFSUFOLXVFNCDJ-MRXNPFEDSA-N -1 0 333.334 3.517 20 0 EHADRM C[C@H](NC(=O)N[C@H](C(=O)[O-])c1ccccc1)c1cc2ccccc2o1 ZINC000679540235 939869720 /nfs/dbraw/zinc/86/97/20/939869720.db2.gz KOUCQLSVMWVBOS-SJCJKPOMSA-N -1 0 338.363 3.619 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cccc(-c2ccoc2)c1)c1ccccc1F ZINC000683317992 939870843 /nfs/dbraw/zinc/87/08/43/939870843.db2.gz CUWSGPFFOAZNEP-QGZVFWFLSA-N -1 0 339.322 3.641 20 0 EHADRM CC(C)c1ccccc1NC(=O)N[C@@]1(C(=O)[O-])CCc2ccccc21 ZINC000683921019 939871181 /nfs/dbraw/zinc/87/11/81/939871181.db2.gz LLPGLEFXHIJNGC-FQEVSTJZSA-N -1 0 338.407 3.858 20 0 EHADRM O=C([O-])[C@@H](NC(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccccc1F ZINC000684714938 939871675 /nfs/dbraw/zinc/87/16/75/939871675.db2.gz GHWPUWRKDCVKSN-ZJOBFFGXSA-N -1 0 348.418 3.610 20 0 EHADRM Cc1cc(C(=O)[C@H](C)S[C@H](C)C(=O)[O-])c(C)n1Cc1ccco1 ZINC001611128474 970903069 /nfs/dbraw/zinc/90/30/69/970903069.db2.gz LIIZQMFDMWHRAY-QWHCGFSZSA-N -1 0 335.425 3.524 20 0 EHADRM O=C([O-])c1ccccc1CCNC(=O)Nc1c(F)cccc1Cl ZINC000322620876 970910694 /nfs/dbraw/zinc/91/06/94/970910694.db2.gz OZWTUZXNTWAQCG-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM Cc1sc(NC(=O)c2ccnc3ccccc32)c(C(=O)[O-])c1C ZINC000322906672 970943468 /nfs/dbraw/zinc/94/34/68/970943468.db2.gz IKZWOTHEYHGQDG-UHFFFAOYSA-N -1 0 326.377 3.864 20 0 EHADRM C[C@H](CCc1ccco1)Nc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC000323434624 971004827 /nfs/dbraw/zinc/00/48/27/971004827.db2.gz RFKMQMAJUXBTRA-SECBINFHSA-N -1 0 338.747 3.973 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CC[N@@H+]1Cc1coc(-c2cccc(Cl)c2)n1 ZINC000323627585 971023358 /nfs/dbraw/zinc/02/33/58/971023358.db2.gz VJECMIIJPPLLTP-DGCLKSJQSA-N -1 0 334.803 3.680 20 0 EHADRM O=C([O-])c1cncc(NC(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)c1 ZINC001601628459 971034876 /nfs/dbraw/zinc/03/48/76/971034876.db2.gz MFYXPLAJQWJFKU-GDBMZVCRSA-N -1 0 339.395 3.628 20 0 EHADRM CCOc1cc(CNc2ccc(C(=O)[O-])cc2)ccc1OC(F)F ZINC000323840952 971046015 /nfs/dbraw/zinc/04/60/15/971046015.db2.gz DFPVXSIPOYUGMZ-UHFFFAOYSA-N -1 0 337.322 3.997 20 0 EHADRM Cc1c(C(=O)[O-])cc(CNc2cc(C(F)(F)F)ccc2C)n1C ZINC000323964789 971067403 /nfs/dbraw/zinc/06/74/03/971067403.db2.gz BKYSLMALPMCZEV-UHFFFAOYSA-N -1 0 326.318 3.971 20 0 EHADRM O=C([O-])c1cc(NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1F ZINC000324168458 971091553 /nfs/dbraw/zinc/09/15/53/971091553.db2.gz FAVMPGAHHKNZCM-UHFFFAOYSA-N -1 0 341.260 3.724 20 0 EHADRM O=C([O-])[C@@H]1Cc2ccccc2N(C(=O)c2cc3sccc3s2)C1 ZINC000324434597 971120460 /nfs/dbraw/zinc/12/04/60/971120460.db2.gz VPWNAKWOBXPHID-LLVKDONJSA-N -1 0 343.429 3.867 20 0 EHADRM Cc1ccc(OCc2nnc(-c3ccc(Cl)cc3)o2)c(C(=O)[O-])c1 ZINC000324515017 971128026 /nfs/dbraw/zinc/12/80/26/971128026.db2.gz NTFCINQMQGILHR-UHFFFAOYSA-N -1 0 344.754 3.976 20 0 EHADRM Cc1c(NC(=O)COc2cccc(C(C)C)c2)cccc1C(=O)[O-] ZINC000324942361 971172513 /nfs/dbraw/zinc/17/25/13/971172513.db2.gz XXTYYWALSMCKFI-UHFFFAOYSA-N -1 0 327.380 3.834 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OCCCOc1ccccc1 ZINC000325007248 971175744 /nfs/dbraw/zinc/17/57/44/971175744.db2.gz DLIOXANZMCKEKT-LUAWRHEFSA-N -1 0 328.364 3.641 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2CCc3ccccc3CC2)c(F)c1 ZINC001602374085 971189786 /nfs/dbraw/zinc/18/97/86/971189786.db2.gz ZQUNPVBYQGALAK-UHFFFAOYSA-N -1 0 327.355 3.658 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2ccccc2Oc2ccncc2)c1 ZINC001602438713 971199585 /nfs/dbraw/zinc/19/95/85/971199585.db2.gz WWFMHGTVTSLYFK-UHFFFAOYSA-N -1 0 348.358 3.502 20 0 EHADRM Cc1cc([C@H](C)NC(=O)Nc2cccc(CCC(=O)[O-])c2)c(C)o1 ZINC000325363600 971207998 /nfs/dbraw/zinc/20/79/98/971207998.db2.gz ADAHESCRYGKJKF-LBPRGKRZSA-N -1 0 330.384 3.796 20 0 EHADRM C[C@H]1CCc2sc(C(=O)N3CCC[C@H](C(C)(C)C(=O)[O-])C3)cc2C1 ZINC000325439490 971216015 /nfs/dbraw/zinc/21/60/15/971216015.db2.gz LGUZWTFMPZJKMZ-JSGCOSHPSA-N -1 0 349.496 3.836 20 0 EHADRM O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)Cc1cccc(F)c1 ZINC000325502744 971221453 /nfs/dbraw/zinc/22/14/53/971221453.db2.gz CRYKJSNVFYPHQA-UHFFFAOYSA-N -1 0 341.260 3.724 20 0 EHADRM CCc1ccccc1CNC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000325641033 971233020 /nfs/dbraw/zinc/23/30/20/971233020.db2.gz WLSKWEBKSHPXDH-UHFFFAOYSA-N -1 0 334.322 3.547 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1c(F)c(F)c(F)c(F)c1F ZINC000325902096 971252568 /nfs/dbraw/zinc/25/25/68/971252568.db2.gz VMHQOZYZKJOXIU-HGNGGELXSA-N -1 0 349.299 3.600 20 0 EHADRM CCCC[C@H](CC)CNC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000326053219 971263016 /nfs/dbraw/zinc/26/30/16/971263016.db2.gz BXMKGAJPNLQCCF-WMLDXEAASA-N -1 0 332.444 3.596 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000326191715 971272630 /nfs/dbraw/zinc/27/26/30/971272630.db2.gz AUTUSGSPTSKXHQ-HZSPNIEDSA-N -1 0 349.393 3.895 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)C(C1CCC1)C1CCC1)c1ccccc1 ZINC000326304158 971281385 /nfs/dbraw/zinc/28/13/85/971281385.db2.gz JPQAYDCHUXKEFB-QGZVFWFLSA-N -1 0 329.440 3.925 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1CC[C@H]3CCCC[C@H]3C1)C2 ZINC000326336763 971284063 /nfs/dbraw/zinc/28/40/63/971284063.db2.gz JFRJDEWKHVTSTE-QLFBSQMISA-N -1 0 327.424 3.834 20 0 EHADRM Cc1ccc(OCCC(=O)NCC2(CC(=O)[O-])CCCCC2)c(C)c1 ZINC000326661492 971313843 /nfs/dbraw/zinc/31/38/43/971313843.db2.gz HKTQRGWQZSGTIB-UHFFFAOYSA-N -1 0 347.455 3.614 20 0 EHADRM Cc1cccc(C)c1OCCC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000326882698 971339816 /nfs/dbraw/zinc/33/98/16/971339816.db2.gz DOAGJFCFOPWTKF-UHFFFAOYSA-N -1 0 349.333 3.687 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2ccccc2C(F)(F)F)Cc2ccccc21 ZINC000326912459 971344545 /nfs/dbraw/zinc/34/45/45/971344545.db2.gz GIAZPESUWLGBQC-CQSZACIVSA-N -1 0 349.308 3.530 20 0 EHADRM CC(C)CC1(CNC(=O)NCCc2ccccc2C(=O)[O-])CCCC1 ZINC000327103234 971366344 /nfs/dbraw/zinc/36/63/44/971366344.db2.gz BFJRSPSTTUYMMK-UHFFFAOYSA-N -1 0 346.471 3.833 20 0 EHADRM O=C([O-])c1ccc2c(c1)N(C(=O)Cc1cccc(C(F)(F)F)c1)CC2 ZINC000327103505 971366703 /nfs/dbraw/zinc/36/67/03/971366703.db2.gz XVWJYDAHOWFYOO-UHFFFAOYSA-N -1 0 349.308 3.535 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2occc2-c2ccccc2)cc1 ZINC000327314972 971386548 /nfs/dbraw/zinc/38/65/48/971386548.db2.gz PJZRZADAKWJJNK-UHFFFAOYSA-N -1 0 337.331 3.662 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CC[C@H](c3ccccc3)C2)c(F)cc1F ZINC000327344775 971390043 /nfs/dbraw/zinc/39/00/43/971390043.db2.gz FTXPVMNBVLOCFG-LBPRGKRZSA-N -1 0 346.333 3.684 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000327564705 971408935 /nfs/dbraw/zinc/40/89/35/971408935.db2.gz VAOCOUSEJGFMGM-IRXDYDNUSA-N -1 0 340.379 3.854 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001602736035 971419133 /nfs/dbraw/zinc/41/91/33/971419133.db2.gz BKUOWLFETOOXEI-DOZPEKJFSA-N -1 0 329.440 3.650 20 0 EHADRM C/C(=C/C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1cccs1 ZINC001602736071 971420430 /nfs/dbraw/zinc/42/04/30/971420430.db2.gz CKUFDSZADUSJPM-RQFGCTGCSA-N -1 0 327.405 3.581 20 0 EHADRM CC1(C)CCC(CNC(=O)N2CCc3c(cccc3C(=O)[O-])C2)CC1 ZINC000327832027 971427650 /nfs/dbraw/zinc/42/76/50/971427650.db2.gz NATNBLBFEXPTFG-UHFFFAOYSA-N -1 0 344.455 3.669 20 0 EHADRM CCOC1(CNC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CCCC1 ZINC000327889282 971432398 /nfs/dbraw/zinc/43/23/98/971432398.db2.gz NDRXCCDCERTPDA-UHFFFAOYSA-N -1 0 348.443 3.520 20 0 EHADRM Cc1cccc(C2(C(=O)N[C@@H](CC3CCCCC3)C(=O)[O-])CCC2)c1 ZINC000327934893 971435561 /nfs/dbraw/zinc/43/55/61/971435561.db2.gz PKHHHYGEAVJUBR-SFHVURJKSA-N -1 0 343.467 3.957 20 0 EHADRM CC(C)c1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000000534743 948764564 /nfs/dbraw/zinc/76/45/64/948764564.db2.gz NRHAJTPJXQHFDQ-KRWDZBQOSA-N -1 0 326.396 3.627 20 0 EHADRM CC(C)C[C@H](Nc1nc(-c2cccnc2)nc2ccccc21)C(=O)[O-] ZINC000005522448 948768468 /nfs/dbraw/zinc/76/84/68/948768468.db2.gz CGADHKHMHUUHAB-INIZCTEOSA-N -1 0 336.395 3.603 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC001589561472 948817101 /nfs/dbraw/zinc/81/71/01/948817101.db2.gz WEIMAEVDODGAAP-MSOLQXFVSA-N -1 0 348.487 3.704 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)[O-] ZINC000339341947 971516693 /nfs/dbraw/zinc/51/66/93/971516693.db2.gz CTBUNSDLMSHMGY-MEBBXXQBSA-N -1 0 345.420 3.537 20 0 EHADRM COc1cc(CNc2cc(C(=O)[O-])c(C)cc2C)cc(OC)c1OC ZINC000340693065 971517418 /nfs/dbraw/zinc/51/74/18/971517418.db2.gz XMWJVIUSMGOOBD-UHFFFAOYSA-N -1 0 345.395 3.640 20 0 EHADRM CCC1CCC(N(C)C(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)CC1 ZINC000347391729 971525392 /nfs/dbraw/zinc/52/53/92/971525392.db2.gz SVSSSTKCHVOPTB-UHFFFAOYSA-N -1 0 347.455 3.808 20 0 EHADRM Cc1cc(C)c(C(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)[nH]1 ZINC000346026487 971520630 /nfs/dbraw/zinc/52/06/30/971520630.db2.gz MUJFBSPXGJHBND-MRXNPFEDSA-N -1 0 342.439 3.875 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)cc1 ZINC000346996559 971520915 /nfs/dbraw/zinc/52/09/15/971520915.db2.gz QJPXLXFYXYJISS-UHFFFAOYSA-N -1 0 349.346 3.565 20 0 EHADRM CSc1cccc(F)c1CNC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000348992747 971527622 /nfs/dbraw/zinc/52/76/22/971527622.db2.gz FOJNNGAAFHDQCL-UHFFFAOYSA-N -1 0 339.432 3.589 20 0 EHADRM CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000350097635 971527917 /nfs/dbraw/zinc/52/79/17/971527917.db2.gz HTZYWSFAZBPQDS-UHFFFAOYSA-N -1 0 338.190 3.964 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001589584674 949031512 /nfs/dbraw/zinc/03/15/12/949031512.db2.gz LGAYMVHOJGEZRH-JKSUJKDBSA-N -1 0 347.411 3.639 20 0 EHADRM O=C([O-])[C@H](CC1CC1)NC(=O)CC1CCC(c2ccccc2)CC1 ZINC000347505526 971526103 /nfs/dbraw/zinc/52/61/03/971526103.db2.gz VCOASXYUIWSBNX-VJFUWPCTSA-N -1 0 329.440 3.720 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(CNc3ccccc3)cc2)nc1 ZINC001595221605 949259285 /nfs/dbraw/zinc/25/92/85/949259285.db2.gz VPZPCGPYLQKDKK-UHFFFAOYSA-N -1 0 347.374 3.644 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccnc2OCc2ccccc2)cc1 ZINC001595222091 949265711 /nfs/dbraw/zinc/26/57/11/949265711.db2.gz VOLZKDJPDRLFOD-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM Cc1cc(Br)ccc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000135823076 949335768 /nfs/dbraw/zinc/33/57/68/949335768.db2.gz ZXSASPLPPCATGI-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM O=C([O-])c1cccc(C(=O)OCc2cccc(OC(F)(F)F)c2)c1 ZINC001595241949 949468120 /nfs/dbraw/zinc/46/81/20/949468120.db2.gz RSIXUBWYKWWCPC-UHFFFAOYSA-N -1 0 340.253 3.640 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000178077054 949486052 /nfs/dbraw/zinc/48/60/52/949486052.db2.gz BJGNUTCRQGUJGN-LLVKDONJSA-N -1 0 331.334 3.521 20 0 EHADRM O=C([O-])c1cccc(N2CCC[C@@H]2c2nc3ccccc3s2)n1 ZINC001595248842 949530532 /nfs/dbraw/zinc/53/05/32/949530532.db2.gz MWLPNZBWKVETSC-CYBMUJFWSA-N -1 0 325.393 3.731 20 0 EHADRM O=C([O-])c1c(NC(=O)c2csc(Cl)c2)sc2c1CCC2 ZINC000378993899 971589003 /nfs/dbraw/zinc/58/90/03/971589003.db2.gz NVWNPYLJSQVILU-UHFFFAOYSA-N -1 0 327.814 3.902 20 0 EHADRM CCCC[C@H](CC)CNC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001589641353 949692929 /nfs/dbraw/zinc/69/29/29/949692929.db2.gz REWVKTNYZFVTRY-HNAYVOBHSA-N -1 0 334.460 3.545 20 0 EHADRM CCCCC[C@@](C)(CC)C(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001589642374 949706049 /nfs/dbraw/zinc/70/60/49/949706049.db2.gz QMGZREOLOQAUTE-NRXYVGEYSA-N -1 0 339.476 3.512 20 0 EHADRM CCCCN1CCc2ccc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc21 ZINC001589650465 949775082 /nfs/dbraw/zinc/77/50/82/949775082.db2.gz OVCQJQMZKVXFEO-MRXNPFEDSA-N -1 0 332.444 3.535 20 0 EHADRM CCCCOc1ccc(C(=O)NC[C@H](C(=O)[O-])C(C)C)c(Cl)c1 ZINC001589654242 949802481 /nfs/dbraw/zinc/80/24/81/949802481.db2.gz NDLKUTXHYCYSMC-AWEZNQCLSA-N -1 0 341.835 3.606 20 0 EHADRM O=C([O-])c1cncc(NC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)c1 ZINC001595270362 949819596 /nfs/dbraw/zinc/81/95/96/949819596.db2.gz BFRCCKBNZOYTFG-MSOLQXFVSA-N -1 0 332.359 3.675 20 0 EHADRM CC(C)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000236789245 949937591 /nfs/dbraw/zinc/93/75/91/949937591.db2.gz FHARJDSUPZPQJT-RCCFBDPRSA-N -1 0 325.408 3.559 20 0 EHADRM CCCN(Cc1ccc(F)cc1F)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001589674241 949972096 /nfs/dbraw/zinc/97/20/96/949972096.db2.gz HNZCWCJOQOJNGN-SOFGYWHQSA-N -1 0 349.333 3.708 20 0 EHADRM Cc1ccc(SCC(=O)N2CCCC[C@H]2CCC(=O)[O-])c(C)c1 ZINC000262104310 950065077 /nfs/dbraw/zinc/06/50/77/950065077.db2.gz CZCRCPFRACBFSE-HNNXBMFYSA-N -1 0 335.469 3.641 20 0 EHADRM CCCc1ccc(CCCC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC001589691491 950116391 /nfs/dbraw/zinc/11/63/91/950116391.db2.gz MKTAVCRAACTLSB-MAUKXSAKSA-N -1 0 331.456 3.531 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)NCCCCCC(=O)[O-])cc2)s1 ZINC001595295424 950121997 /nfs/dbraw/zinc/12/19/97/950121997.db2.gz KWBCIGBZTHJTLB-UHFFFAOYSA-N -1 0 345.420 3.602 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)NC3CCC(C(=O)[O-])CC3)s2)o1 ZINC000262660385 950150443 /nfs/dbraw/zinc/15/04/43/950150443.db2.gz MUUHHLSTHVIXDG-UHFFFAOYSA-N -1 0 333.409 3.690 20 0 EHADRM CCN(C(=O)[C@H]1CC[C@H]1C(=O)[O-])C(c1ccccc1)c1ccccc1 ZINC001589704577 950267608 /nfs/dbraw/zinc/26/76/08/950267608.db2.gz BWKLCFMEOXBJFU-ZWKOTPCHSA-N -1 0 337.419 3.735 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2ccc(OC3CCCCC3)cc2)C1 ZINC000263170332 950309581 /nfs/dbraw/zinc/30/95/81/950309581.db2.gz FUVGCDRETDBSME-JKSUJKDBSA-N -1 0 345.439 3.515 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000263171910 950309652 /nfs/dbraw/zinc/30/96/52/950309652.db2.gz SEXKLCFXZVVOBD-NXEZZACHSA-N -1 0 344.383 3.576 20 0 EHADRM C[C@H](CC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C)Cc1ccc(Cl)cc1 ZINC000263203082 950323566 /nfs/dbraw/zinc/32/35/66/950323566.db2.gz MQSSGHLUWGWAPB-GZBFAFLISA-N -1 0 337.847 3.620 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000263249216 950339285 /nfs/dbraw/zinc/33/92/85/950339285.db2.gz SOQRWGADNUIETI-SMDDNHRTSA-N -1 0 343.345 3.507 20 0 EHADRM CCN(C(=O)c1sc2cccc(F)c2c1Cl)[C@H](C)C(=O)[O-] ZINC001589713484 950348030 /nfs/dbraw/zinc/34/80/30/950348030.db2.gz SXHXHMNZLPSESB-SSDOTTSWSA-N -1 0 329.780 3.629 20 0 EHADRM Cc1ccccc1[C@@H]1CCCN1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263394241 950434754 /nfs/dbraw/zinc/43/47/54/950434754.db2.gz QYXXNWBCJAPMND-SFHVURJKSA-N -1 0 338.407 3.740 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000263502837 950494238 /nfs/dbraw/zinc/49/42/38/950494238.db2.gz LFNQYWRBQBBZSY-GXSJLCMTSA-N -1 0 347.358 3.624 20 0 EHADRM C[C@H](NC(=O)NCC1(C(=O)[O-])CCC1)c1ccc(Cl)cc1Cl ZINC000316865510 950894731 /nfs/dbraw/zinc/89/47/31/950894731.db2.gz OMPUDXBKEAYUNF-VIFPVBQESA-N -1 0 345.226 3.609 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000320451858 950987401 /nfs/dbraw/zinc/98/74/01/950987401.db2.gz NUTQLBDZWBWLJP-SNVBAGLBSA-N -1 0 328.315 3.614 20 0 EHADRM C[C@H]1CCc2c(C(=O)NCc3ccc(C(=O)[O-])cc3)csc2C1 ZINC000320626920 950998044 /nfs/dbraw/zinc/99/80/44/950998044.db2.gz FLHGZLOEFMPXSM-NSHDSACASA-N -1 0 329.421 3.501 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)CCc2ccc(C)c(Cl)c2)C1 ZINC000320951437 951007999 /nfs/dbraw/zinc/00/79/99/951007999.db2.gz URZVPYCIUDNRHS-SFHVURJKSA-N -1 0 337.847 3.684 20 0 EHADRM CCC(CC)(CNC(=O)c1cnc(Cl)c2ccccc12)C(=O)[O-] ZINC000323019004 951041665 /nfs/dbraw/zinc/04/16/65/951041665.db2.gz QQKREOKABFWLOO-UHFFFAOYSA-N -1 0 334.803 3.509 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2cc(Cl)c3ccccc3n2)CC1 ZINC000324730544 951074332 /nfs/dbraw/zinc/07/43/32/951074332.db2.gz IBJGCGWDQRMBJB-UHFFFAOYSA-N -1 0 346.814 3.605 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2csc3ccccc23)Cc2ccccc21 ZINC000325788146 951092189 /nfs/dbraw/zinc/09/21/89/951092189.db2.gz MJIJMWBLCFETSM-OAHLLOKOSA-N -1 0 337.400 3.726 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)CCc1ccc(Cl)cc1)C(=O)[O-] ZINC001602860544 971715741 /nfs/dbraw/zinc/71/57/41/971715741.db2.gz DKGNTEXTJYEQMU-AWEZNQCLSA-N -1 0 325.836 3.668 20 0 EHADRM CCOC(=O)c1sc(NC(=O)CC[C@H](C)CC)c(C(=O)[O-])c1C ZINC001591425694 951135081 /nfs/dbraw/zinc/13/50/81/951135081.db2.gz HWLMRMZOZLYUOI-SECBINFHSA-N -1 0 341.429 3.696 20 0 EHADRM CCOc1cc(Cl)ccc1NC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC001592184754 951307655 /nfs/dbraw/zinc/30/76/55/951307655.db2.gz QJZRPSOEQYCYSR-LLVKDONJSA-N -1 0 342.823 3.607 20 0 EHADRM CCOc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2)c(C)c1 ZINC001592691264 951350005 /nfs/dbraw/zinc/35/00/05/951350005.db2.gz GAMYUWHYBPQZSG-QGZVFWFLSA-N -1 0 342.395 3.650 20 0 EHADRM CCCCc1ccc(CC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000393015700 951428553 /nfs/dbraw/zinc/42/85/53/951428553.db2.gz PCTSJLDOUCHTSQ-NRFANRHFSA-N -1 0 339.435 3.688 20 0 EHADRM O=C([O-])[C@@H]1CCCN1C(=O)Nc1ccccc1Oc1cccc(F)c1 ZINC001595167205 952210128 /nfs/dbraw/zinc/21/01/28/952210128.db2.gz GFUVRNAYYRLYSK-HNNXBMFYSA-N -1 0 344.342 3.699 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@H](F)CC2CCCCC2)C[C@H]1c1ccccc1 ZINC001595184014 952256887 /nfs/dbraw/zinc/25/68/87/952256887.db2.gz GQEVTEFEBGPIOY-RCCFBDPRSA-N -1 0 347.430 3.622 20 0 EHADRM C[C@@H](c1ccncc1)N(C)Cc1ccc(C(=O)[O-])cc1Br ZINC000383683323 971887520 /nfs/dbraw/zinc/88/75/20/971887520.db2.gz AXURATXOWUMGMC-NSHDSACASA-N -1 0 349.228 3.735 20 0 EHADRM CC(C)(CCNC(=O)N1CCC(C)(C)[C@@H](c2ccccc2)C1)C(=O)[O-] ZINC001602939587 971905639 /nfs/dbraw/zinc/90/56/39/971905639.db2.gz JFTBKCXJLNPVEH-MRXNPFEDSA-N -1 0 346.471 3.713 20 0 EHADRM CC(C)(C)c1ccc2cc(C(=O)NCCC(C)(C)C(=O)[O-])[nH]c2c1 ZINC001602942722 971910922 /nfs/dbraw/zinc/91/09/22/971910922.db2.gz KGDFJWFCTLYJKY-UHFFFAOYSA-N -1 0 330.428 3.696 20 0 EHADRM CC(C)(CNC(=O)Nc1ccnc(C(=O)[O-])c1)c1ccccc1Cl ZINC001602948305 971919740 /nfs/dbraw/zinc/91/97/40/971919740.db2.gz TWMWSGDEHYFFPZ-UHFFFAOYSA-N -1 0 347.802 3.533 20 0 EHADRM CCSCc1cccc(NC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)c1 ZINC001593597351 953380797 /nfs/dbraw/zinc/38/07/97/953380797.db2.gz KJNBRVYEWQVVKD-OCCSQVGLSA-N -1 0 336.457 3.657 20 0 EHADRM CCSc1ccccc1CC(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001593598355 953386053 /nfs/dbraw/zinc/38/60/53/953386053.db2.gz CCMKACFGMUEXGY-AWEZNQCLSA-N -1 0 337.485 3.594 20 0 EHADRM CCS[C@H]1CCC[C@@H](NC(=O)C2(C(=O)[O-])CCCCCC2)C1 ZINC001593599414 953401408 /nfs/dbraw/zinc/40/14/08/953401408.db2.gz ZNWXMXZBIQVDPR-KGLIPLIRSA-N -1 0 327.490 3.592 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NC(C)(C)c1cccc(Cl)c1F ZINC001602950377 971927040 /nfs/dbraw/zinc/92/70/40/971927040.db2.gz QTRUHGZRRIPXEF-LLVKDONJSA-N -1 0 329.799 3.577 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C2(Sc3ccccc3)CCCC2)C1 ZINC001589269716 953406925 /nfs/dbraw/zinc/40/69/25/953406925.db2.gz ZWWVQOUZONWGRH-HUUCEWRRSA-N -1 0 347.480 3.661 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NC[C@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC001594752081 953454479 /nfs/dbraw/zinc/45/44/79/953454479.db2.gz WEOZRMKUURUKID-BSDSXHPESA-N -1 0 329.440 3.578 20 0 EHADRM Cc1c(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])cccc1-c1ncco1 ZINC000424392560 953458064 /nfs/dbraw/zinc/45/80/64/953458064.db2.gz UHLVYTLJNVPVCL-CYBMUJFWSA-N -1 0 345.399 3.518 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1ccc2c(c1)C=CC1(CCC1)O2)C(=O)[O-] ZINC001593610116 953463948 /nfs/dbraw/zinc/46/39/48/953463948.db2.gz VAOTUMCRBMFKCM-LRDDRELGSA-N -1 0 344.411 3.636 20 0 EHADRM CC(C)(CCNC(=O)NC(C)(C)c1cccc(Cl)c1F)C(=O)[O-] ZINC000424404399 953468305 /nfs/dbraw/zinc/46/83/05/953468305.db2.gz LXKBKEWZSLSIGH-UHFFFAOYSA-N -1 0 344.814 3.514 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)NC[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000424421006 953480084 /nfs/dbraw/zinc/48/00/84/953480084.db2.gz LEVCJCBIZCWQLU-DLBZAZTESA-N -1 0 332.444 3.588 20 0 EHADRM Cc1ccc(Oc2ccccc2)c(NC(=O)c2cnc(C(=O)[O-])cn2)c1 ZINC000439933807 953506389 /nfs/dbraw/zinc/50/63/89/953506389.db2.gz OZHHOKDXUFKLFG-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)c1ccc(Cl)c(N)c1Cl)C(=O)[O-] ZINC000455781865 953516174 /nfs/dbraw/zinc/51/61/74/953516174.db2.gz GYCFDKKSRFEJMY-SNVBAGLBSA-N -1 0 347.242 3.585 20 0 EHADRM CC(C)OCc1c2ccccc2oc1C(=O)NCCC(C)(C)C(=O)[O-] ZINC000455903384 953517777 /nfs/dbraw/zinc/51/77/77/953517777.db2.gz PWEGNQIAZOGEMT-UHFFFAOYSA-N -1 0 347.411 3.589 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2cc(C(C)(C)C)nc(C(C)(C)C)n2)C1 ZINC001589281740 953524532 /nfs/dbraw/zinc/52/45/32/953524532.db2.gz AUNGCZVTSBOCJV-CHWSQXEVSA-N -1 0 333.476 3.619 20 0 EHADRM COc1ccccc1-c1cccc(NC(=O)N[C@@H](C(=O)[O-])C(C)C)c1 ZINC000517213689 953543868 /nfs/dbraw/zinc/54/38/68/953543868.db2.gz NKWKKHFVBDCHPC-QGZVFWFLSA-N -1 0 342.395 3.593 20 0 EHADRM O=C([O-])CC1(NC(=O)c2csc(-c3ccccc3)n2)CCCCC1 ZINC000531742998 953561624 /nfs/dbraw/zinc/56/16/24/953561624.db2.gz URTXUDXYFCXIBX-UHFFFAOYSA-N -1 0 344.436 3.718 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)cc1 ZINC000532555278 953563142 /nfs/dbraw/zinc/56/31/42/953563142.db2.gz ZESZLXMFVWVRLK-DZGCQCFKSA-N -1 0 349.308 3.690 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC001602960350 971945321 /nfs/dbraw/zinc/94/53/21/971945321.db2.gz CDIVOKNMTVKBST-CQSZACIVSA-N -1 0 343.345 3.553 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1occc1CSc1ccccc1 ZINC001594789976 953689745 /nfs/dbraw/zinc/68/97/45/953689745.db2.gz WNTFENLHJMKRJS-CABCVRRESA-N -1 0 345.420 3.555 20 0 EHADRM Cc1csc(-c2ccc(NC(=O)C3(CC(=O)[O-])CCC3)cc2)n1 ZINC000582605997 953725309 /nfs/dbraw/zinc/72/53/09/953725309.db2.gz CCJCAJHCBQHXSC-UHFFFAOYSA-N -1 0 330.409 3.702 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1cccc2c(Cl)nccc12 ZINC001589304960 953730606 /nfs/dbraw/zinc/73/06/06/953730606.db2.gz OOERRVIWCLBOAH-MNOVXSKESA-N -1 0 347.802 3.605 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000619965461 953790448 /nfs/dbraw/zinc/79/04/48/953790448.db2.gz ICASZBSYAKFZJZ-UHFFFAOYSA-N -1 0 334.416 3.501 20 0 EHADRM O=C(Nc1cccc(Oc2ccccc2F)c1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594811088 953821799 /nfs/dbraw/zinc/82/17/99/953821799.db2.gz UPTJCCVFFLMNBD-AULYBMBSSA-N -1 0 344.342 3.603 20 0 EHADRM CCSc1ccc(CN2CCC[C@H]2C(=O)[O-])c(Br)c1 ZINC000629359509 953822435 /nfs/dbraw/zinc/82/24/35/953822435.db2.gz XHYGSNVGRXTZAF-ZDUSSCGKSA-N -1 0 344.274 3.610 20 0 EHADRM C[C@@H]1CN(c2nc3cc(Cl)cc(Cl)c3o2)CC[C@H]1C(=O)[O-] ZINC000629768982 953832241 /nfs/dbraw/zinc/83/22/41/953832241.db2.gz SFCONFTYTGOGGG-VXNVDRBHSA-N -1 0 329.183 3.682 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@@H](C2CCC2)C2CCCCC2)ccn1 ZINC001594814323 953843573 /nfs/dbraw/zinc/84/35/73/953843573.db2.gz DOGJHRURRHDGHZ-MRXNPFEDSA-N -1 0 331.416 3.650 20 0 EHADRM Cc1cc(NC(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)ccc1C(F)(F)F ZINC000630562320 953861704 /nfs/dbraw/zinc/86/17/04/953861704.db2.gz POTFLWNIEQUSPA-ZYHUDNBSSA-N -1 0 344.333 3.588 20 0 EHADRM C[C@@H]1CC[C@@H](CC(=O)Nc2scc(-c3cnn(C)c3)c2C(=O)[O-])C1 ZINC001589323010 953880716 /nfs/dbraw/zinc/88/07/16/953880716.db2.gz DEEKTQUNPWLTEE-GHMZBOCLSA-N -1 0 347.440 3.612 20 0 EHADRM O=C([O-])c1c(NC(=O)c2ccc(-c3ccccc3)o2)nc2ccccn21 ZINC001594818581 953889846 /nfs/dbraw/zinc/88/98/46/953889846.db2.gz VHKKQSPAZKVWLI-UHFFFAOYSA-N -1 0 347.330 3.545 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC000646156189 953937928 /nfs/dbraw/zinc/93/79/28/953937928.db2.gz RQAPJKJDDWTMCS-SJORKVTESA-N -1 0 344.455 3.609 20 0 EHADRM CN(C(=O)NCC1(C(=O)[O-])CCC1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001593677319 953940431 /nfs/dbraw/zinc/94/04/31/953940431.db2.gz FKJFAYOXSMZXLU-SJORKVTESA-N -1 0 344.455 3.609 20 0 EHADRM CN(C(=O)Nc1cccnc1C(=O)[O-])[C@H]1CCC[C@H]1c1ccccc1 ZINC001593680491 953945773 /nfs/dbraw/zinc/94/57/73/953945773.db2.gz COXXMVGUPCOKBE-HOCLYGCPSA-N -1 0 339.395 3.580 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(CCC(F)(F)F)cc2)ccn1 ZINC001594827907 953951292 /nfs/dbraw/zinc/95/12/92/953951292.db2.gz YMOBUYQIVILYNR-UHFFFAOYSA-N -1 0 338.285 3.527 20 0 EHADRM C[C@@H]1CCN(C(=O)C2=C(c3ccccc3)CCCC2)C[C@H]1C(=O)[O-] ZINC001589337002 954001581 /nfs/dbraw/zinc/00/15/81/954001581.db2.gz RLLMMXGLWIBHNH-RDTXWAMCSA-N -1 0 327.424 3.583 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2ncc(C3CCCCC3)s2)CCC1 ZINC000649542880 954004916 /nfs/dbraw/zinc/00/49/16/954004916.db2.gz SRULDWOLDWVSAD-UHFFFAOYSA-N -1 0 337.445 3.710 20 0 EHADRM C[C@@H](C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000652056893 954034927 /nfs/dbraw/zinc/03/49/27/954034927.db2.gz LVLLKTLFSCWTQK-SJKOYZFVSA-N -1 0 343.810 3.654 20 0 EHADRM COc1ccc(Cl)c(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1 ZINC000652470161 954087472 /nfs/dbraw/zinc/08/74/72/954087472.db2.gz POFGMFZTHMWJCC-INIZCTEOSA-N -1 0 331.799 3.533 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000653281890 954094817 /nfs/dbraw/zinc/09/48/17/954094817.db2.gz FCJMWHYJBQUSRD-UHFFFAOYSA-N -1 0 339.382 3.562 20 0 EHADRM O=C([O-])C1(C(=O)N2CC[C@@H](CSc3ccccc3)C2)CCCCC1 ZINC001594846225 954150158 /nfs/dbraw/zinc/15/01/58/954150158.db2.gz RVVWAQZMKMHVSX-OAHLLOKOSA-N -1 0 347.480 3.662 20 0 EHADRM C[C@H](NC(=O)Nc1cc(F)cc(Cl)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653540516 954188586 /nfs/dbraw/zinc/18/85/86/954188586.db2.gz KSEMOCDYPKTFLI-AQUOVQTQSA-N -1 0 342.798 3.736 20 0 EHADRM Cc1ccc(-c2cccnc2)cc1NC(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000653544816 954192689 /nfs/dbraw/zinc/19/26/89/954192689.db2.gz MJZHKBSGLTVGBB-MRXNPFEDSA-N -1 0 341.411 3.535 20 0 EHADRM O=C([O-])[C@@]1(C(=O)N[C@@H]2CC=C(c3ccc(F)cc3)CC2)CC=CCC1 ZINC001594853933 954208880 /nfs/dbraw/zinc/20/88/80/954208880.db2.gz AJXANZYBPXTZHW-XLIONFOSSA-N -1 0 343.398 3.689 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655579355 954216714 /nfs/dbraw/zinc/21/67/14/954216714.db2.gz NSZKTDJJFZGCCF-DARAHFNDSA-N -1 0 349.446 3.646 20 0 EHADRM C[C@@H](NC(=O)N[C@@H](c1ccccc1)C1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655862123 954246853 /nfs/dbraw/zinc/24/68/53/954246853.db2.gz YFNDUWCPXGGASM-ZFVVBOAOSA-N -1 0 344.455 3.572 20 0 EHADRM CC[C@H](NC(=O)NC[C@@H](C(=O)[O-])C(C)C)c1ccc(Cl)s1 ZINC000655870046 954257687 /nfs/dbraw/zinc/25/76/87/954257687.db2.gz NYHQKIOKRUWYAO-ZJUUUORDSA-N -1 0 332.853 3.509 20 0 EHADRM C[C@H](CNC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1)C(=O)[O-] ZINC000655884685 954266661 /nfs/dbraw/zinc/26/66/61/954266661.db2.gz JJDHUYPUMHSDLG-IUODEOHRSA-N -1 0 338.835 3.687 20 0 EHADRM CC(C)[C@@H](CNC(=O)N1CCC[C@H]1c1ccccc1Cl)C(=O)[O-] ZINC000655890611 954271340 /nfs/dbraw/zinc/27/13/40/954271340.db2.gz NKHWOZNHKYMQDC-HIFRSBDPSA-N -1 0 338.835 3.543 20 0 EHADRM CC(C)[C@@H]1CCCN(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1 ZINC000655905312 954287957 /nfs/dbraw/zinc/28/79/57/954287957.db2.gz TVWDBAKDVVJSAX-LVQVYYBASA-N -1 0 338.492 3.590 20 0 EHADRM CCCCC[C@@H]1CCCCN1C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000659232878 954318212 /nfs/dbraw/zinc/31/82/12/954318212.db2.gz QFSWDJNFHYXOIZ-MRXNPFEDSA-N -1 0 333.428 3.725 20 0 EHADRM CC(C)[C@H](CNC(=O)N[C@H]1CCC[C@@H](C(C)(C)C)CC1)C(=O)[O-] ZINC001602983406 972005636 /nfs/dbraw/zinc/00/56/36/972005636.db2.gz PWNXAUNJUXAFDE-ILXRZTDVSA-N -1 0 326.481 3.637 20 0 EHADRM CCN(C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1)[C@H](C)C(=O)[O-] ZINC000659770607 954368023 /nfs/dbraw/zinc/36/80/23/954368023.db2.gz FYHPLFZETVCBGW-WDEREUQCSA-N -1 0 331.334 3.521 20 0 EHADRM CN(CCCC(=O)[O-])c1ncnc2sc(-c3ccccc3)cc21 ZINC001593747770 954393827 /nfs/dbraw/zinc/39/38/27/954393827.db2.gz HQDMBDGCJIHGCY-UHFFFAOYSA-N -1 0 327.409 3.659 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2ccc3nc(C4CC4)sc3c2)CCC1 ZINC000663342763 954537157 /nfs/dbraw/zinc/53/71/57/954537157.db2.gz NNEZDBKZJPXTDD-UHFFFAOYSA-N -1 0 345.424 3.550 20 0 EHADRM Cc1cccc(C2(C(=O)N3Cc4ccccc4[C@H](C(=O)[O-])C3)CCC2)c1 ZINC000679093899 954588689 /nfs/dbraw/zinc/58/86/89/954588689.db2.gz DFEOSOVIRONZEZ-LJQANCHMSA-N -1 0 349.430 3.627 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1 ZINC000679096857 954590279 /nfs/dbraw/zinc/59/02/79/954590279.db2.gz MCOPYGWEGHKCLZ-AUUYWEPGSA-N -1 0 337.419 3.563 20 0 EHADRM C[C@H](CCC(C)(C)C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000386263221 972039660 /nfs/dbraw/zinc/03/96/60/972039660.db2.gz NCZCCKGJEBOKRU-SNVBAGLBSA-N -1 0 347.864 3.531 20 0 EHADRM CCC(C)(C)OCc1ccccc1NC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001589451076 954798391 /nfs/dbraw/zinc/79/83/91/954798391.db2.gz AEATYWPPSQMYEG-AWEZNQCLSA-N -1 0 348.443 3.720 20 0 EHADRM C[C@](NC(=O)c1cccc2ccsc21)(C(=O)[O-])c1ccccc1 ZINC000386290541 972043193 /nfs/dbraw/zinc/04/31/93/972043193.db2.gz HTJMSTLZNZFWDU-GOSISDBHSA-N -1 0 325.389 3.631 20 0 EHADRM CC[C@@H](CC(C)C)C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001589466861 954911028 /nfs/dbraw/zinc/91/10/28/954911028.db2.gz MGKZWPSDRXJHAE-JTQLQIEISA-N -1 0 325.430 3.530 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCC(C)(CC(C)C)CC1)C(=O)[O-] ZINC001603009010 972059402 /nfs/dbraw/zinc/05/94/02/972059402.db2.gz OIGXLDMAXQXIHL-OAHLLOKOSA-N -1 0 326.481 3.591 20 0 EHADRM CCC(CC)(CNC(=O)N[C@H](C)c1c(F)cccc1Cl)C(=O)[O-] ZINC001589489332 955008998 /nfs/dbraw/zinc/00/89/98/955008998.db2.gz BJTGEJOIMRCJFB-SNVBAGLBSA-N -1 0 344.814 3.730 20 0 EHADRM CCC(CC)(CNC(=O)NC[C@H]1[C@H](c2ccccc2)C1(C)C)C(=O)[O-] ZINC001589496387 955017574 /nfs/dbraw/zinc/01/75/74/955017574.db2.gz LTMOUXSEKNIPEU-HOTGVXAUSA-N -1 0 346.471 3.616 20 0 EHADRM CC[C@@H](CNC(=O)CC(C)(C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001589524855 955101525 /nfs/dbraw/zinc/10/15/25/955101525.db2.gz WBYBIMMBIGRUNC-ZDUSSCGKSA-N -1 0 325.836 3.526 20 0 EHADRM Cc1ccc(Oc2ccccc2CNC(=O)CCCC(=O)[O-])cc1 ZINC000753976352 955263246 /nfs/dbraw/zinc/26/32/46/955263246.db2.gz LVFAAETXUZSTQP-UHFFFAOYSA-N -1 0 327.380 3.658 20 0 EHADRM CC[C@H](C)Oc1cc(C(=O)Nc2cccc(CCC(=O)[O-])c2)ccn1 ZINC000761997953 955313253 /nfs/dbraw/zinc/31/32/53/955313253.db2.gz CDPMFUGCDTZRLU-ZDUSSCGKSA-N -1 0 342.395 3.528 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)NCCC(C)(C)C(=O)[O-] ZINC001589006339 955365020 /nfs/dbraw/zinc/36/50/20/955365020.db2.gz DHIINNVGMPZQPV-AWEZNQCLSA-N -1 0 334.460 3.543 20 0 EHADRM CC(C)COc1ccc([C@@H](C)OC(=O)c2ccc(C(=O)[O-])cn2)cc1 ZINC001603030557 972090354 /nfs/dbraw/zinc/09/03/54/972090354.db2.gz AYAWUHWCFXSKTD-CYBMUJFWSA-N -1 0 343.379 3.733 20 0 EHADRM Cc1onc(-c2ccccc2)c1C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001594510371 955382870 /nfs/dbraw/zinc/38/28/70/955382870.db2.gz SINAKHBMFNOYCX-UHFFFAOYSA-N -1 0 337.331 3.705 20 0 EHADRM O=C([O-])CCCC(=O)Nc1ccc(CC[C@H](O)c2ccccc2)cc1 ZINC000843329130 955632607 /nfs/dbraw/zinc/63/26/07/955632607.db2.gz YGXZBVQBPIWDFA-SFHVURJKSA-N -1 0 341.407 3.546 20 0 EHADRM C[C@@H](CNC(=O)N[C@@H](CC1CCCCC1)c1ccccc1)C(=O)[O-] ZINC001589050481 955656591 /nfs/dbraw/zinc/65/65/91/955656591.db2.gz CJBDLCJYPGBXEZ-YOEHRIQHSA-N -1 0 332.444 3.718 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(CCCc2ccccc2)cc1)C(=O)[O-] ZINC001589056465 955700246 /nfs/dbraw/zinc/70/02/46/955700246.db2.gz HNUKTQVPXRFIGP-HNNXBMFYSA-N -1 0 340.423 3.704 20 0 EHADRM C/C(=C/C(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000846714327 955722812 /nfs/dbraw/zinc/72/28/12/955722812.db2.gz ZSSYQKMITPVPID-RHWCBERRSA-N -1 0 341.329 3.573 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1cccc(SC(F)(F)F)c1 ZINC000851596191 955785279 /nfs/dbraw/zinc/78/52/79/955785279.db2.gz OGMRFUJMACTQCX-UHFFFAOYSA-N -1 0 335.347 3.672 20 0 EHADRM O=C([O-])C1(C(=O)NCCC[C@H]2CC2(Cl)Cl)CCCCCC1 ZINC000852953298 955878546 /nfs/dbraw/zinc/87/85/46/955878546.db2.gz KBRMBWTUZQJZGW-NSHDSACASA-N -1 0 336.259 3.502 20 0 EHADRM C[C@H](NC(=O)[C@]1(C(=O)[O-])CC1(C)C)c1cccc(Cl)c1Cl ZINC001589089150 955923085 /nfs/dbraw/zinc/92/30/85/955923085.db2.gz FGASPWSFTKOEQF-AYVTZFPOSA-N -1 0 330.211 3.672 20 0 EHADRM COc1ccccc1-c1ccc(C(=O)N2CCCC[C@H]2C(=O)[O-])s1 ZINC000864099817 955931668 /nfs/dbraw/zinc/93/16/68/955931668.db2.gz MMNOIYPOOJJQJF-ZDUSSCGKSA-N -1 0 345.420 3.503 20 0 EHADRM CC(C)Oc1cccc([C@@H](C)NC(=O)/C=C/c2ccc(C(=O)[O-])o2)c1 ZINC000864104059 955933873 /nfs/dbraw/zinc/93/38/73/955933873.db2.gz XCEHGKRHTYIOIS-AORWBKJGSA-N -1 0 343.379 3.656 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)/C=C/c2ccc(C(=O)[O-])o2)C1 ZINC000864111605 955938747 /nfs/dbraw/zinc/93/87/47/955938747.db2.gz IUXLIIPXMKQWMX-QSTFCLMHSA-N -1 0 339.391 3.704 20 0 EHADRM CO[C@@H](C(=O)[O-])C(=O)N[C@@H](c1ccc(C2CCCCC2)cc1)C(C)C ZINC001593916493 956025852 /nfs/dbraw/zinc/02/58/52/956025852.db2.gz HFRZTSYRXDMIRD-QZTJIDSGSA-N -1 0 347.455 3.647 20 0 EHADRM CC(C)C[C@@H]1C[C@H]1C(=O)Nc1cc(Br)ccc1C(=O)[O-] ZINC000387976702 972150544 /nfs/dbraw/zinc/15/05/44/972150544.db2.gz HJCQAIIBIXDNJP-BXKDBHETSA-N -1 0 340.217 3.768 20 0 EHADRM Cc1ccc(CCC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)cc1Cl ZINC000388525719 972174202 /nfs/dbraw/zinc/17/42/02/972174202.db2.gz YANBGWDHHSHMCA-CQSZACIVSA-N -1 0 325.836 3.587 20 0 EHADRM Cc1nc2c(Cl)cccc2cc1C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000901653375 956405726 /nfs/dbraw/zinc/40/57/26/956405726.db2.gz HKAPZYQQVKZWIA-ZWNOBZJWSA-N -1 0 346.814 3.522 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)C(=O)NCc2ccccc2C(=O)[O-])c1 ZINC001589167710 956434892 /nfs/dbraw/zinc/43/48/92/956434892.db2.gz TZHDNMKISHQYQA-AWEZNQCLSA-N -1 0 341.407 3.592 20 0 EHADRM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)C1(C(=O)[O-])CC=CC1 ZINC001589174353 956478417 /nfs/dbraw/zinc/47/84/17/956478417.db2.gz AJHYVWHTQOGUIH-CHWSQXEVSA-N -1 0 335.831 3.711 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)C1(C(=O)[O-])CC=CC1 ZINC001589174354 956478502 /nfs/dbraw/zinc/47/85/02/956478502.db2.gz AJHYVWHTQOGUIH-OLZOCXBDSA-N -1 0 335.831 3.711 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)NC[C@@H]2CCC[C@H]2c2ccccc2)o1 ZINC001594669629 956607543 /nfs/dbraw/zinc/60/75/43/956607543.db2.gz FBMBUDLJQBQDPE-BCWDTRBQSA-N -1 0 339.391 3.691 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](CC(=O)[O-])C(C)(C)C ZINC000388916917 972198205 /nfs/dbraw/zinc/19/82/05/972198205.db2.gz CPNUFNDYDHRRCI-GXFFZTMASA-N -1 0 343.876 3.826 20 0 EHADRM O=C(/C=C\c1ccc(C(=O)[O-])o1)NCc1ccc(-c2ccccc2)o1 ZINC001594673609 956639243 /nfs/dbraw/zinc/63/92/43/956639243.db2.gz ZKJLCZZFCZQCJB-FLIBITNWSA-N -1 0 337.331 3.567 20 0 EHADRM C[C@H]1N(C(=O)c2coc(/C=C/C(=O)[O-])c2)c2ccccc2C1(C)C ZINC000902073475 956641495 /nfs/dbraw/zinc/64/14/95/956641495.db2.gz BZTPXWMQRCOGPH-IDVQTMNDSA-N -1 0 325.364 3.704 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)Nc2ccc(F)cc2OCC2CC2)o1 ZINC001594675280 956653456 /nfs/dbraw/zinc/65/34/56/956653456.db2.gz WDDFZFPZQPDPMV-YVMONPNESA-N -1 0 345.326 3.558 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N[C@H]1CCc2c1cccc2Cl ZINC001589204803 956657444 /nfs/dbraw/zinc/65/74/44/956657444.db2.gz NLQLXOFIHITLLX-ZDUSSCGKSA-N -1 0 335.831 3.581 20 0 EHADRM C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)CC[C@@H]1C(=O)[O-] ZINC000902182038 956679746 /nfs/dbraw/zinc/67/97/46/956679746.db2.gz WKTXNKGNYKXBRY-BZZMCLGOSA-N -1 0 329.440 3.530 20 0 EHADRM Cc1cc(NC(=O)N2CCC[C@@](C)(C(=O)[O-])C2)c(Cl)cc1F ZINC000389046014 972204119 /nfs/dbraw/zinc/20/41/19/972204119.db2.gz BWTJSQCJPMRBAK-OAHLLOKOSA-N -1 0 328.771 3.506 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC001589212836 956707672 /nfs/dbraw/zinc/70/76/72/956707672.db2.gz MWOHDOUTJRFBKE-GCJKJVERSA-N -1 0 349.430 3.662 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1nc2c(ccc3c2CCCC3)s1 ZINC001589218961 956749979 /nfs/dbraw/zinc/74/99/79/956749979.db2.gz WAFLSYAPLXWRIU-GOSISDBHSA-N -1 0 344.436 3.615 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)CCCCc1ccc(Cl)c(Cl)c1 ZINC001603124872 972210495 /nfs/dbraw/zinc/21/04/95/972210495.db2.gz XGOOHSZSJNKOKL-SNVBAGLBSA-N -1 0 332.227 3.686 20 0 EHADRM Cc1ccc(NC(=O)c2coc(/C=C/C(=O)[O-])c2)cc1N1CCCC1 ZINC000902668968 956763366 /nfs/dbraw/zinc/76/33/66/956763366.db2.gz VIXZTIQAVUDUHO-VOTSOKGWSA-N -1 0 340.379 3.538 20 0 EHADRM CC1(C)CCc2nc(NC(=O)/C=C\c3ccc(C(=O)[O-])o3)sc2C1 ZINC001589227448 956811565 /nfs/dbraw/zinc/81/15/65/956811565.db2.gz XCBGUYTXIFGLSJ-XQRVVYSFSA-N -1 0 346.408 3.601 20 0 EHADRM CC1(C)CN(C(=O)Nc2cccc(CC(=O)[O-])c2)[C@@H]1c1ccco1 ZINC001589229859 956814773 /nfs/dbraw/zinc/81/47/73/956814773.db2.gz KAPAQIVEJIQGDI-MRXNPFEDSA-N -1 0 328.368 3.522 20 0 EHADRM Cc1ccc(C(=O)N2C[C@H](CCC(=O)[O-])Cc3ccccc32)s1 ZINC000902829798 956819361 /nfs/dbraw/zinc/81/93/61/956819361.db2.gz GCEWRZQIKZYEPX-CYBMUJFWSA-N -1 0 329.421 3.740 20 0 EHADRM CC(C)(C)NC(=O)c1cccc(NCc2ccc(C(=O)[O-])s2)c1 ZINC000903673987 956853777 /nfs/dbraw/zinc/85/37/77/956853777.db2.gz QEZMBLQVPGZGKG-UHFFFAOYSA-N -1 0 332.425 3.587 20 0 EHADRM CC(=O)N(Cc1ccc(NCc2ccc(C(=O)[O-])s2)cc1)C1CC1 ZINC000903674980 956856160 /nfs/dbraw/zinc/85/61/60/956856160.db2.gz VCSWWVUGGHGIOV-UHFFFAOYSA-N -1 0 344.436 3.569 20 0 EHADRM Cc1ccc(C(=O)NCC2CC2)cc1NCc1ccc(C(=O)[O-])s1 ZINC000903685440 956865232 /nfs/dbraw/zinc/86/52/32/956865232.db2.gz SOXUQTGSXXWDHN-UHFFFAOYSA-N -1 0 344.436 3.507 20 0 EHADRM CC[C@H](C)NC(=O)c1ccc(NCc2ccc(C(=O)[O-])s2)cc1 ZINC000903686657 956866394 /nfs/dbraw/zinc/86/63/94/956866394.db2.gz RNQJUSMTKICEIV-NSHDSACASA-N -1 0 332.425 3.587 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OCCOc1ccc(C)cc1 ZINC000011831218 956894243 /nfs/dbraw/zinc/89/42/43/956894243.db2.gz WUKCWAZKZJBYLF-POHAHGRESA-N -1 0 328.364 3.559 20 0 EHADRM COc1cc(OCc2ccccc2C(=O)[O-])ccc1Br ZINC000011863284 956895792 /nfs/dbraw/zinc/89/57/92/956895792.db2.gz MCCNRVZAQOMIKS-UHFFFAOYSA-N -1 0 337.169 3.735 20 0 EHADRM Cc1ccc(S(=O)(=O)Oc2ccc(C(C)(C)C)cc2)cc1C(=O)[O-] ZINC000013075531 956927952 /nfs/dbraw/zinc/92/79/52/956927952.db2.gz FNAVFXPKIAVPLG-UHFFFAOYSA-N -1 0 348.420 3.758 20 0 EHADRM Cc1cc(OS(=O)(=O)c2cccc(C(=O)[O-])c2)ccc1C(C)C ZINC000013075402 956928318 /nfs/dbraw/zinc/92/83/18/956928318.db2.gz PZUSGXISUCOATG-UHFFFAOYSA-N -1 0 334.393 3.584 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2cc3c(s2)CCCCC3)cc1 ZINC000013092096 956942060 /nfs/dbraw/zinc/94/20/60/956942060.db2.gz ARDJHGWYJGVNJF-UHFFFAOYSA-N -1 0 329.421 3.645 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000013091828 956942402 /nfs/dbraw/zinc/94/24/02/956942402.db2.gz VDCXRXZDPYYZEV-UHFFFAOYSA-N -1 0 345.398 3.911 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)Cc2ccccc2Cl)cc1 ZINC000013180064 956963516 /nfs/dbraw/zinc/96/35/16/956963516.db2.gz NJVMSLCAXSSGHU-INIZCTEOSA-N -1 0 331.799 3.523 20 0 EHADRM CC[C@@H](CNC(=O)Nc1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000905055645 956963952 /nfs/dbraw/zinc/96/39/52/956963952.db2.gz IQKJXSGFPKDEDP-ZETCQYMHSA-N -1 0 338.713 3.591 20 0 EHADRM O=C([O-])C1(NC(=O)/C(=C/c2ccccc2)C(F)(F)F)CCCCC1 ZINC001594721459 956971937 /nfs/dbraw/zinc/97/19/37/956971937.db2.gz YHRBGPFFFCOUQR-QBFSEMIESA-N -1 0 341.329 3.536 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1Cl ZINC000013225216 956984755 /nfs/dbraw/zinc/98/47/55/956984755.db2.gz SVILMWIPTMSANQ-XDTLVQLUSA-N -1 0 342.222 3.851 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OCC(=O)Nc1ccc(Cl)cc1C ZINC000013248634 956992061 /nfs/dbraw/zinc/99/20/61/956992061.db2.gz VZXCQDLJPOHKBU-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(Cl)cc2F)cc1 ZINC000013258268 956996359 /nfs/dbraw/zinc/99/63/59/956996359.db2.gz HKDSEWJXWAQROT-HNNXBMFYSA-N -1 0 335.762 3.733 20 0 EHADRM CCCCOc1ccc(C(=O)NC(C)(C)CC(=O)[O-])c(Cl)c1 ZINC000909015102 956997816 /nfs/dbraw/zinc/99/78/16/956997816.db2.gz PWUSTHBZXUZTBB-UHFFFAOYSA-N -1 0 327.808 3.502 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)N[C@@H]2CCC[C@H](C3CC3)C2)c2ccccc21 ZINC001594726355 957008049 /nfs/dbraw/zinc/00/80/49/957008049.db2.gz MKURRRFVVBZFOM-DACLVMHWSA-N -1 0 342.439 3.568 20 0 EHADRM CC(C)C[C@H](CNC(=O)C[C@@H](C)c1c[nH]c2ccccc21)C(=O)[O-] ZINC000909291767 957011000 /nfs/dbraw/zinc/01/10/00/957011000.db2.gz LZKKQRDZRFHUGQ-ZIAGYGMSSA-N -1 0 330.428 3.525 20 0 EHADRM CC/C(=C\C(=O)N1CCC(CCC(=O)[O-])CC1)c1ccc(OC)cc1 ZINC000909439269 957019818 /nfs/dbraw/zinc/01/98/18/957019818.db2.gz MLYDPTCCCNMGDT-JQIJEIRASA-N -1 0 345.439 3.592 20 0 EHADRM CCCc1cc(C(=O)NCc2ccc(OC)c(C(=O)[O-])c2)sc1C ZINC000013392671 957048659 /nfs/dbraw/zinc/04/86/59/957048659.db2.gz WZTKLYZOOUTRPL-UHFFFAOYSA-N -1 0 347.436 3.646 20 0 EHADRM CC(C)c1nnc(SCc2occc2C(=O)[O-])n1Cc1ccco1 ZINC000013408070 957052696 /nfs/dbraw/zinc/05/26/96/957052696.db2.gz UTEAFIOYOLEYLI-UHFFFAOYSA-N -1 0 347.396 3.626 20 0 EHADRM Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000013413041 957055872 /nfs/dbraw/zinc/05/58/72/957055872.db2.gz GFOLBVIRFPIDJO-AWEZNQCLSA-N -1 0 327.380 3.716 20 0 EHADRM C[C@@H](CCOCc1ccccc1)Nc1ncc(C(=O)[O-])cc1Cl ZINC000389691409 972241078 /nfs/dbraw/zinc/24/10/78/972241078.db2.gz HASRYFFMSJOIFE-LBPRGKRZSA-N -1 0 334.803 3.841 20 0 EHADRM O=C([O-])c1ccc(CNc2nc(C(F)(F)F)nc3ccccc32)cc1 ZINC000032544653 957175408 /nfs/dbraw/zinc/17/54/08/957175408.db2.gz HPMSNVIMAHHREP-UHFFFAOYSA-N -1 0 347.296 3.959 20 0 EHADRM CC(C)OCCCCNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC000389804485 972247831 /nfs/dbraw/zinc/24/78/31/972247831.db2.gz KYXKYVBSECPGTF-UHFFFAOYSA-N -1 0 330.768 3.564 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(C(=O)[O-])s2)c(Br)c1 ZINC000035185614 957200344 /nfs/dbraw/zinc/20/03/44/957200344.db2.gz JYMUSRDZTKBCLT-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM Cc1ccc(Br)cc1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000037368836 957270788 /nfs/dbraw/zinc/27/07/88/957270788.db2.gz GCYFEZBDPNGSGB-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2ccccc2Br)c1 ZINC000037403334 957275328 /nfs/dbraw/zinc/27/53/28/957275328.db2.gz YWTRPVOABPVXSN-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1csc(Br)c1 ZINC000037419331 957283136 /nfs/dbraw/zinc/28/31/36/957283136.db2.gz QRYKJMPJXBJFJN-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM CC(C)(C)c1ccc(C2(C(=O)N3CCC(C)(C(=O)[O-])CC3)CC2)cc1 ZINC001327429910 957341068 /nfs/dbraw/zinc/34/10/68/957341068.db2.gz JHHVMTSVUQPTDD-UHFFFAOYSA-N -1 0 343.467 3.729 20 0 EHADRM Cc1oc(CNC(=O)c2cc(Cl)cc(Cl)c2)cc1C(=O)[O-] ZINC000038059689 957354412 /nfs/dbraw/zinc/35/44/12/957354412.db2.gz AALBNSHNCPOCMB-UHFFFAOYSA-N -1 0 328.151 3.523 20 0 EHADRM O=C([O-])c1cccnc1SCCCc1nc(-c2cccs2)no1 ZINC000390235648 972271472 /nfs/dbraw/zinc/27/14/72/972271472.db2.gz AOILWNGJRAIJIK-UHFFFAOYSA-N -1 0 347.421 3.616 20 0 EHADRM CCCOc1cccc(/C=C/C(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000053105286 957516831 /nfs/dbraw/zinc/51/68/31/957516831.db2.gz JZFBLLQLPNIZBU-IZZDOVSWSA-N -1 0 340.375 3.835 20 0 EHADRM O=C([O-])Cc1sc(NC(=O)[C@@H]2CC=CCC2)nc1-c1ccccc1 ZINC000054232459 957524587 /nfs/dbraw/zinc/52/45/87/957524587.db2.gz OQYAWPAGOVKWLZ-CYBMUJFWSA-N -1 0 342.420 3.732 20 0 EHADRM Cc1ccc(Cl)c(OCC(=O)Nc2ccc(C)cc2C(=O)[O-])c1 ZINC000390299546 972274353 /nfs/dbraw/zinc/27/43/53/972274353.db2.gz KPZXQNQDFNZJOM-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM C[C@@H](CNc1ncc(C(=O)[O-])cc1Cl)COCc1ccccc1 ZINC000390447327 972286314 /nfs/dbraw/zinc/28/63/14/972286314.db2.gz SUQQBOKUZWNFQX-LBPRGKRZSA-N -1 0 334.803 3.698 20 0 EHADRM C[C@@H](NC(=O)c1coc(/C=C\C(=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC001332419750 957759059 /nfs/dbraw/zinc/75/90/59/957759059.db2.gz GERLUSNERMMZAI-WWQCOOJYSA-N -1 0 348.424 3.622 20 0 EHADRM CC(C)c1ccc(O[C@H](C)CNC(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC001603190994 972290398 /nfs/dbraw/zinc/29/03/98/972290398.db2.gz DOPISVYMHKZDEA-CQSZACIVSA-N -1 0 341.407 3.706 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NC[C@H](C)Oc2ccccc2Cl)c1 ZINC001594285597 957775262 /nfs/dbraw/zinc/77/52/62/957775262.db2.gz HXNNXDFAURLNQW-LBPRGKRZSA-N -1 0 347.798 3.544 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2c3nsnc3ccc2Cl)c1 ZINC001594288257 957795499 /nfs/dbraw/zinc/79/54/99/957795499.db2.gz GQJRXGQPIDTRGU-UHFFFAOYSA-N -1 0 347.783 3.604 20 0 EHADRM Cc1cc(C)c(/C=C\C(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1C ZINC001594292560 957836744 /nfs/dbraw/zinc/83/67/44/957836744.db2.gz PJIMWYIOADOFPO-DAXSKMNVSA-N -1 0 325.364 3.668 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)cc1 ZINC001574803285 957847764 /nfs/dbraw/zinc/84/77/64/957847764.db2.gz YLTPMIHCXLTDEK-IXDOHACOSA-N -1 0 342.778 3.667 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(-c3ccc(F)cc3)no2)c(F)c1 ZINC001574805492 957857629 /nfs/dbraw/zinc/85/76/29/957857629.db2.gz YULQGNRDGCBLAD-UHFFFAOYSA-N -1 0 344.273 3.570 20 0 EHADRM CC[C@@H](NC(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1ccccc1OC ZINC001339813724 957884572 /nfs/dbraw/zinc/88/45/72/957884572.db2.gz WWKGKMLBAMXEFA-GDBMZVCRSA-N -1 0 348.443 3.575 20 0 EHADRM CC[C@@H](NC(=O)N1CCCC[C@H]1CCC(=O)[O-])c1ccccc1OC ZINC001339813726 957884988 /nfs/dbraw/zinc/88/49/88/957884988.db2.gz WWKGKMLBAMXEFA-GOEBONIOSA-N -1 0 348.443 3.575 20 0 EHADRM COc1c(Cl)cccc1NC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001594046329 957930080 /nfs/dbraw/zinc/93/00/80/957930080.db2.gz BRIXTWBNDNJBJT-UHFFFAOYSA-N -1 0 325.792 3.712 20 0 EHADRM C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC001603199816 972305042 /nfs/dbraw/zinc/30/50/42/972305042.db2.gz NIJJVLWOTYIQHK-FVMDXXJSSA-N -1 0 344.238 3.542 20 0 EHADRM O=C([O-])[C@]1(C(F)(F)F)CCN(Cc2cc(Cl)cc(Cl)c2)C1 ZINC000086764003 957987600 /nfs/dbraw/zinc/98/76/00/957987600.db2.gz AILDNBZRWGRCTF-LBPRGKRZSA-N -1 0 342.144 3.832 20 0 EHADRM Cc1cc(C)c(C(=O)Nc2nc(CCCC(=O)[O-])cs2)c(C)c1 ZINC000391039746 972313076 /nfs/dbraw/zinc/31/30/76/972313076.db2.gz BHLUVUIVZZXPLR-UHFFFAOYSA-N -1 0 332.425 3.728 20 0 EHADRM C[C@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)c1csc2ccccc21 ZINC001343098352 958025259 /nfs/dbraw/zinc/02/52/59/958025259.db2.gz KQZLZRXJUWVRQP-AVGNSLFASA-N -1 0 346.452 3.715 20 0 EHADRM Cc1cc(NC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc(C(F)(F)F)c1 ZINC001594317757 958088234 /nfs/dbraw/zinc/08/82/34/958088234.db2.gz BUJFXOAIVDFMJU-GHMZBOCLSA-N -1 0 344.333 3.588 20 0 EHADRM Cc1cc(NC(=O)N2Cc3ccccc3O[C@H](C)C2)ccc1C(=O)[O-] ZINC001594319907 958117609 /nfs/dbraw/zinc/11/76/09/958117609.db2.gz SXBBMSHZHFORIR-CYBMUJFWSA-N -1 0 340.379 3.508 20 0 EHADRM Cc1cc(NC(=O)Nc2ccc3c(c2)C[C@@H](C)O3)ccc1C(=O)[O-] ZINC001594323538 958142874 /nfs/dbraw/zinc/14/28/74/958142874.db2.gz OYTAMWHYZSIROP-LLVKDONJSA-N -1 0 326.352 3.661 20 0 EHADRM Cc1cc(OC(=O)[C@H](C(=O)[O-])C2CCCC2)ccc1Br ZINC001594326764 958180549 /nfs/dbraw/zinc/18/05/49/958180549.db2.gz JFAIQCLZJNCFAG-ZDUSSCGKSA-N -1 0 341.201 3.554 20 0 EHADRM O=C([O-])c1ccccc1CCNC(=O)Nc1ccc(F)cc1Cl ZINC000391274511 972327125 /nfs/dbraw/zinc/32/71/25/972327125.db2.gz LKYFCRQRRXBMBB-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM COc1ccc([C@H](C)CCNC(=O)C2(C(=O)[O-])CCCCCC2)cc1 ZINC001594080852 958264339 /nfs/dbraw/zinc/26/43/39/958264339.db2.gz AGYUWXXIQIVNNG-OAHLLOKOSA-N -1 0 347.455 3.730 20 0 EHADRM Cc1ccc(C)c(C(=O)CCC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC001594351768 958364889 /nfs/dbraw/zinc/36/48/89/958364889.db2.gz XOCCJPNKRQMXAY-INIZCTEOSA-N -1 0 347.455 3.662 20 0 EHADRM COc1ccc(N(CC(C)C)C(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC001594101299 958434898 /nfs/dbraw/zinc/43/48/98/958434898.db2.gz OWYAAEMWLZZTCD-UHFFFAOYSA-N -1 0 327.380 3.696 20 0 EHADRM C=COc1ccc(NCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)cc1 ZINC001588474339 958555478 /nfs/dbraw/zinc/55/54/78/958555478.db2.gz HPIQCQYSEKZTCG-AWEZNQCLSA-N -1 0 342.395 3.715 20 0 EHADRM COc1ccc2cc(C(=O)Nc3ccc(O)c(C(=O)[O-])c3)ccc2c1 ZINC001594118457 958581989 /nfs/dbraw/zinc/58/19/89/958581989.db2.gz OZSCEVCZDQUWOA-UHFFFAOYSA-N -1 0 337.331 3.505 20 0 EHADRM COc1cccc([C@@H](C)CCCC(=O)Nc2ncccc2C(=O)[O-])c1 ZINC001594123191 958607709 /nfs/dbraw/zinc/60/77/09/958607709.db2.gz CXXFWWJZOKEWNH-ZDUSSCGKSA-N -1 0 342.395 3.701 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC001594123219 958609748 /nfs/dbraw/zinc/60/97/48/958609748.db2.gz FQHKFNXZDLJUFH-IIDMSEBBSA-N -1 0 347.455 3.538 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC001594123563 958613083 /nfs/dbraw/zinc/61/30/83/958613083.db2.gz OWLWSVJGDCQXSA-BBRMVZONSA-N -1 0 335.444 3.585 20 0 EHADRM CCN(CC)c1ccc(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000391726680 972363187 /nfs/dbraw/zinc/36/31/87/972363187.db2.gz MWNNGISHCZWKAR-UHFFFAOYSA-N -1 0 326.396 3.792 20 0 EHADRM Cc1ccc2cc(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])ccc2n1 ZINC001594382310 958645780 /nfs/dbraw/zinc/64/57/80/958645780.db2.gz ZHCUBCKCHJFFJE-MRXNPFEDSA-N -1 0 328.412 3.553 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001573374359 958648073 /nfs/dbraw/zinc/64/80/73/958648073.db2.gz IFEQWKWBXPKMEN-HZGVNTEJSA-N -1 0 344.207 3.573 20 0 EHADRM COc1cccc(NC(=O)[C@@H](SCCC(=O)[O-])c2ccccc2)c1 ZINC001594131184 958669410 /nfs/dbraw/zinc/66/94/10/958669410.db2.gz PXGWWUVSQOHOAR-KRWDZBQOSA-N -1 0 345.420 3.583 20 0 EHADRM Cc1cccc(-c2cncc(-c3nc(C4(C(=O)[O-])CCC4)no3)c2)c1 ZINC001594386069 958669775 /nfs/dbraw/zinc/66/97/75/958669775.db2.gz QDGDBFJZVAEXCD-UHFFFAOYSA-N -1 0 335.363 3.613 20 0 EHADRM COc1cccc(NC(=O)[C@@H](S[C@@H](C)C(=O)[O-])c2ccccc2)c1 ZINC001594131222 958670653 /nfs/dbraw/zinc/67/06/53/958670653.db2.gz SSGYEELEWQSFKU-LRDDRELGSA-N -1 0 345.420 3.581 20 0 EHADRM Cc1ccc2snc(C(=O)NC3(CC(=O)[O-])CCCCC3)c2c1 ZINC001594386565 958679982 /nfs/dbraw/zinc/67/99/82/958679982.db2.gz ZRHDFQJMTLFIRI-UHFFFAOYSA-N -1 0 332.425 3.512 20 0 EHADRM C=Cc1ccc(CCNC(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC001573384304 958682212 /nfs/dbraw/zinc/68/22/12/958682212.db2.gz HSHGODAIXONXCK-UHFFFAOYSA-N -1 0 338.407 3.711 20 0 EHADRM C[C@H](NC(=O)Nc1cccc(C(=O)[O-])c1)C1CCC(F)(F)CC1 ZINC001603235915 972369822 /nfs/dbraw/zinc/36/98/22/972369822.db2.gz CAYCUUZWUCVJAF-JTQLQIEISA-N -1 0 326.343 3.720 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)N[C@@H](c1ccccc1)C(F)F)C(=O)[O-] ZINC001573394911 958712398 /nfs/dbraw/zinc/71/23/98/958712398.db2.gz ILQFOSRKXRUCBD-OLZOCXBDSA-N -1 0 342.386 3.572 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2ccc(C(C)(F)F)cc2)C(=O)[O-])c1 ZINC001594394512 958758256 /nfs/dbraw/zinc/75/82/56/958758256.db2.gz USXUOHDBQHGXBN-OAHLLOKOSA-N -1 0 333.334 3.662 20 0 EHADRM Cc1cccc([C@H](NC(=O)Nc2nc3ccccc3s2)C(=O)[O-])c1 ZINC001594395322 958765001 /nfs/dbraw/zinc/76/50/01/958765001.db2.gz ZIFZJJVHAACBSQ-AWEZNQCLSA-N -1 0 341.392 3.552 20 0 EHADRM Cc1cccc(Oc2ccccc2CNC(=O)[C@@H](C(=O)[O-])C2CC2)c1 ZINC001594409387 958933640 /nfs/dbraw/zinc/93/36/40/958933640.db2.gz AWIIVBZDEXZWLR-SFHVURJKSA-N -1 0 339.391 3.514 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001573477758 958961706 /nfs/dbraw/zinc/96/17/06/958961706.db2.gz ARAZODRFLGCXOB-UHFFFAOYSA-N -1 0 332.787 3.641 20 0 EHADRM Cc1ccccc1-c1cc(NC(=O)Nc2ccccc2C(=O)[O-])n[nH]1 ZINC001594413800 958977827 /nfs/dbraw/zinc/97/78/27/958977827.db2.gz KQDIBIUPFMJYCQ-UHFFFAOYSA-N -1 0 336.351 3.727 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)NCc1ccccc1C(=O)[O-])C1CC1 ZINC001594415334 958990944 /nfs/dbraw/zinc/99/09/44/958990944.db2.gz HLMMJIWXZMQJGI-SFHVURJKSA-N -1 0 338.407 3.644 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)O[C@H]1CCOc2cc(Cl)cc(Cl)c21 ZINC001573490091 959013232 /nfs/dbraw/zinc/01/32/32/959013232.db2.gz NVCSOZAFNCSYFJ-CMPLNLGQSA-N -1 0 347.194 3.717 20 0 EHADRM Cc1ccccc1[C@@]1(F)CCN(C(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)C1 ZINC001594417125 959014195 /nfs/dbraw/zinc/01/41/95/959014195.db2.gz UHJCEMQBYKHRFF-LJQANCHMSA-N -1 0 347.430 3.529 20 0 EHADRM CC(C)[C@H](CNC(=O)N(C)[C@H]1CCCC[C@@H]1c1ccccc1)C(=O)[O-] ZINC001573492881 959031873 /nfs/dbraw/zinc/03/18/73/959031873.db2.gz WHOMPUXGNABFOK-SQNIBIBYSA-N -1 0 346.471 3.711 20 0 EHADRM Cc1ccccc1Oc1ccccc1CNC(=O)C1(C(=O)[O-])CCC1 ZINC001594418709 959040576 /nfs/dbraw/zinc/04/05/76/959040576.db2.gz HGCYGSPWJJMSRV-UHFFFAOYSA-N -1 0 339.391 3.658 20 0 EHADRM CC(C)[C@H]1N(C(=O)Nc2ccnc(C(=O)[O-])c2)CC12CCCCC2 ZINC001573502596 959074018 /nfs/dbraw/zinc/07/40/18/959074018.db2.gz QJJDSDKBSDPRAN-OAHLLOKOSA-N -1 0 331.416 3.602 20 0 EHADRM Cc1cnc2c(NC(=O)N3CC[C@@](C)(C(=O)[O-])C3)cccc2c1Cl ZINC001594430061 959166911 /nfs/dbraw/zinc/16/69/11/959166911.db2.gz NECYXFYNCWIOPW-QGZVFWFLSA-N -1 0 347.802 3.525 20 0 EHADRM CSc1cc(NC(=O)N([C@@H](C)C(=O)[O-])C2CC2)ccc1Cl ZINC001594190419 959170101 /nfs/dbraw/zinc/17/01/01/959170101.db2.gz ZHWYHKGPUOMQIB-QMMMGPOBSA-N -1 0 328.821 3.531 20 0 EHADRM CSc1cc(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)ccc1Cl ZINC001594190439 959170474 /nfs/dbraw/zinc/17/04/74/959170474.db2.gz ZWSOOFBDHSCVLH-VHSXEESVSA-N -1 0 342.848 3.636 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1ccc(-c2ccccc2)[nH]1)CC(=O)[O-] ZINC001573536838 959173907 /nfs/dbraw/zinc/17/39/07/959173907.db2.gz ONULVPIHZZHAPL-AWEZNQCLSA-N -1 0 328.412 3.549 20 0 EHADRM CC(C)C[C@H](NC(=O)Nc1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC001573536988 959177355 /nfs/dbraw/zinc/17/73/55/959177355.db2.gz KLTIOXCYFGOWLZ-INIZCTEOSA-N -1 0 334.416 3.629 20 0 EHADRM CC(C)[C@H](CNC(=O)[C@@H](C)C(=O)[O-])Cc1ccc(Cl)cc1Cl ZINC001588571698 959188740 /nfs/dbraw/zinc/18/87/40/959188740.db2.gz ZNHMKWFHDSTKJR-PWSUYJOCSA-N -1 0 346.254 3.645 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])c1cccc2ccccc21 ZINC000392124011 972411825 /nfs/dbraw/zinc/41/18/25/972411825.db2.gz YXGWIXHTHSJGDY-DOPJRALCSA-N -1 0 325.408 3.908 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)CCCOc1ccc(C(C)(C)C)cc1)C1CC1 ZINC001588584343 959286300 /nfs/dbraw/zinc/28/63/00/959286300.db2.gz BFAQIDTWNLLEJD-AWEZNQCLSA-N -1 0 347.455 3.607 20 0 EHADRM C[C@@H](OC(=O)[C@H](C(=O)[O-])C1CCCC1)c1ccc(C(F)(F)F)nc1 ZINC001594211004 959287759 /nfs/dbraw/zinc/28/77/59/959287759.db2.gz BFHOADKODYDYAX-RNCFNFMXSA-N -1 0 345.317 3.596 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)[C@H](c1ccncc1)C1CCCCC1 ZINC001594212669 959302211 /nfs/dbraw/zinc/30/22/11/959302211.db2.gz RPWFXDRTQQYLDA-OLMNPRSZSA-N -1 0 344.455 3.600 20 0 EHADRM C[C@@H](NC(=O)c1cc(C(=O)[O-])co1)c1ccc(Cl)c(Cl)c1 ZINC000183752548 959445718 /nfs/dbraw/zinc/44/57/18/959445718.db2.gz IZNDRXMMXWYRND-SSDOTTSWSA-N -1 0 328.151 3.776 20 0 EHADRM CCc1oc2ccccc2c1CN(C)C(=O)c1cc(C(=O)[O-])co1 ZINC000183754956 959446544 /nfs/dbraw/zinc/44/65/44/959446544.db2.gz VKCJJSPNQNRLHJ-UHFFFAOYSA-N -1 0 327.336 3.559 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000392249327 972433356 /nfs/dbraw/zinc/43/33/56/972433356.db2.gz UCWSZASIXNYPDO-UHFFFAOYSA-N -1 0 341.338 3.851 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])cn1)c1ccc(Oc2ccccc2)cc1 ZINC000190626544 959516002 /nfs/dbraw/zinc/51/60/02/959516002.db2.gz FHWFIFBWYJGJBW-UHFFFAOYSA-N -1 0 348.358 3.849 20 0 EHADRM O=C([O-])CCCCCNC(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC000190879429 959526032 /nfs/dbraw/zinc/52/60/32/959526032.db2.gz OSRCSKZYDJFMMS-UHFFFAOYSA-N -1 0 339.391 3.890 20 0 EHADRM CC(C)CC1(C(=O)N2C[C@@H](C(=O)[O-])Cc3ccccc32)CCCC1 ZINC000392271524 972437112 /nfs/dbraw/zinc/43/71/12/972437112.db2.gz LXKVDWTXHRFBGH-INIZCTEOSA-N -1 0 329.440 3.883 20 0 EHADRM C[C@@H](NC(=O)c1coc(/C=C\C(=O)[O-])c1)c1c(F)cccc1Cl ZINC001573625884 959540736 /nfs/dbraw/zinc/54/07/36/959540736.db2.gz WTISGTJBMPUCRQ-SSJHQANKSA-N -1 0 337.734 3.661 20 0 EHADRM Cc1ccc(C)c(OCC(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC000191407123 959560253 /nfs/dbraw/zinc/56/02/53/959560253.db2.gz XMPOPSVFKQOCKM-OAHLLOKOSA-N -1 0 341.407 3.584 20 0 EHADRM CCOc1ccccc1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000191411617 959562433 /nfs/dbraw/zinc/56/24/33/959562433.db2.gz VAPOBNIUSAKDIO-ZDUSSCGKSA-N -1 0 327.380 3.601 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)CCCc2ccccc2)cc1)C(=O)[O-] ZINC000191430926 959566071 /nfs/dbraw/zinc/56/60/71/959566071.db2.gz LIIRIPHXLOYVFT-OAHLLOKOSA-N -1 0 325.408 3.911 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c(C)c1 ZINC000191524339 959577118 /nfs/dbraw/zinc/57/71/18/959577118.db2.gz RVUDNBKNLBDKSJ-KRWDZBQOSA-N -1 0 325.408 3.509 20 0 EHADRM C[C@H](OC(=O)C1(CC(=O)[O-])CCC1)c1ccc(OC(F)F)cc1 ZINC001573635840 959592474 /nfs/dbraw/zinc/59/24/74/959592474.db2.gz NFYLMOMEBIRTDU-JTQLQIEISA-N -1 0 328.311 3.537 20 0 EHADRM CC[C@H](CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccc(OC)cc1 ZINC000192913541 959595853 /nfs/dbraw/zinc/59/58/53/959595853.db2.gz VSVRUTPPGIESFF-JKSUJKDBSA-N -1 0 347.455 3.682 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000192929484 959598485 /nfs/dbraw/zinc/59/84/85/959598485.db2.gz BGDDEUVJMUOETG-MRXNPFEDSA-N -1 0 339.391 3.693 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1ncc(-c2cccc(F)c2)s1 ZINC001588640307 959683321 /nfs/dbraw/zinc/68/33/21/959683321.db2.gz JIHNBWCNOOKVPY-GFCCVEGCSA-N -1 0 336.388 3.635 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)OC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001594268475 959770364 /nfs/dbraw/zinc/77/03/64/959770364.db2.gz AMLWRIJLUOCRFK-ZDUSSCGKSA-N -1 0 346.379 3.617 20 0 EHADRM Cc1cc(Br)c(F)cc1OC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC001594269956 959791234 /nfs/dbraw/zinc/79/12/34/959791234.db2.gz FZHAEDISPDHLDJ-NSHDSACASA-N -1 0 347.180 3.549 20 0 EHADRM C[C@H]1CCCN(C(=O)C(c2ccccc2)c2ccccc2)[C@@H]1C(=O)[O-] ZINC001573723803 959888570 /nfs/dbraw/zinc/88/85/70/959888570.db2.gz WGNWBXSRJBTSJK-KXBFYZLASA-N -1 0 337.419 3.530 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OCc1ccc(C#N)cc1Cl ZINC000392397942 972480295 /nfs/dbraw/zinc/48/02/95/972480295.db2.gz OUOMCAGWARLOTB-QPJJXVBHSA-N -1 0 343.766 3.897 20 0 EHADRM Cc1cc(F)c(Br)cc1NCc1ccoc1C(=O)[O-] ZINC000232104069 960243344 /nfs/dbraw/zinc/24/33/44/960243344.db2.gz PGJKJTZIWJIKJX-UHFFFAOYSA-N -1 0 328.137 3.800 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CNc1cc(F)ccc1Br ZINC000232249444 960254370 /nfs/dbraw/zinc/25/43/70/960254370.db2.gz GFVSDWOIPSELJS-UHFFFAOYSA-N -1 0 328.137 3.800 20 0 EHADRM C[C@H](OC(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1ccc(F)c(C(F)(F)F)c1 ZINC001603274181 972491116 /nfs/dbraw/zinc/49/11/16/972491116.db2.gz GPRDIHMZKBVYEJ-FXBDTBDDSA-N -1 0 334.265 3.560 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NC[C@H]1C[C@@H]1C1CCCC1)C(=O)[O-] ZINC001123294551 960448965 /nfs/dbraw/zinc/44/89/65/960448965.db2.gz ACDNEJHDKUBXLB-JGGQBBKZSA-N -1 0 347.480 3.808 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000392686300 972510776 /nfs/dbraw/zinc/51/07/76/972510776.db2.gz SRSCFZIXMHXXMB-HNNXBMFYSA-N -1 0 340.423 3.974 20 0 EHADRM C[C@@H](Oc1cccc2ccccc21)C(=O)N(CC(=O)[O-])CC(C)(C)C ZINC001603280288 972506113 /nfs/dbraw/zinc/50/61/13/972506113.db2.gz OTLMFOUVALUHAE-CQSZACIVSA-N -1 0 343.423 3.566 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(COC(C)(C)C)cc2)CC[C@@H]1C(=O)[O-] ZINC001573749087 960530596 /nfs/dbraw/zinc/53/05/96/960530596.db2.gz KUOAKGSLZVSKTC-CJNGLKHVSA-N -1 0 348.443 3.576 20 0 EHADRM CSc1ccc(CCC(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2)cc1 ZINC001574257497 960542725 /nfs/dbraw/zinc/54/27/25/960542725.db2.gz MLWQBVZMDXOSON-GOSISDBHSA-N -1 0 343.448 3.592 20 0 EHADRM C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)CCCC(=O)[O-] ZINC001573756669 960559790 /nfs/dbraw/zinc/55/97/90/960559790.db2.gz BAFQCGMDAHAYDT-VIFPVBQESA-N -1 0 330.211 3.694 20 0 EHADRM CCC(=O)Nc1cccc(COC(=O)C2(C(=O)[O-])CCCCCC2)c1 ZINC001573759657 960600091 /nfs/dbraw/zinc/60/00/91/960600091.db2.gz RWJSIYPPBSZPQD-UHFFFAOYSA-N -1 0 347.411 3.504 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)C(=O)C1(c2c(Cl)cccc2Cl)CCC1 ZINC001573759726 960602349 /nfs/dbraw/zinc/60/23/49/960602349.db2.gz SLZMZSVIJASTCO-GFCCVEGCSA-N -1 0 344.238 3.737 20 0 EHADRM CC[C@@](C)(NC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC001573770426 960663585 /nfs/dbraw/zinc/66/35/85/960663585.db2.gz PUGKYXWBSAQHBF-LJQANCHMSA-N -1 0 344.386 3.649 20 0 EHADRM CC[C@H](CC(F)F)C(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21 ZINC001573776576 960691011 /nfs/dbraw/zinc/69/10/11/960691011.db2.gz VDGBVTDWXGGILV-QWHCGFSZSA-N -1 0 339.382 3.738 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000236618059 960717900 /nfs/dbraw/zinc/71/79/00/960717900.db2.gz WIDWJWDXRSWVRC-IHRRRGAJSA-N -1 0 344.238 3.712 20 0 EHADRM CC(C)[C@H](CC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000236644307 960722618 /nfs/dbraw/zinc/72/26/18/960722618.db2.gz ZJXDPVOUEJBRTO-AEFFLSMTSA-N -1 0 331.456 3.920 20 0 EHADRM CC(C)Oc1ccc(Cl)cc1C(=O)NCCCCCCC(=O)[O-] ZINC000236650059 960723271 /nfs/dbraw/zinc/72/32/71/960723271.db2.gz NLSXAWNPOYKIOG-UHFFFAOYSA-N -1 0 341.835 3.892 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2C[C@@H]2C2CC2)cc1 ZINC000236704389 960736472 /nfs/dbraw/zinc/73/64/72/960736472.db2.gz OMVHOFRMHJUAFJ-IKGGRYGDSA-N -1 0 329.440 3.662 20 0 EHADRM CC(C)(C(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000236709434 960737869 /nfs/dbraw/zinc/73/78/69/960737869.db2.gz DFIDKSNDNXXVQD-UHFFFAOYSA-N -1 0 345.826 3.675 20 0 EHADRM CC[C@@H](CCc1ccccc1)NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001573791305 960755960 /nfs/dbraw/zinc/75/59/60/960755960.db2.gz NUAHAEZTFVVVLN-FQNOHDAGSA-N -1 0 327.380 3.519 20 0 EHADRM CC(C)CCOc1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000236781005 960756556 /nfs/dbraw/zinc/75/65/56/960756556.db2.gz SIPZBRFTEQSSBG-MRXNPFEDSA-N -1 0 347.455 3.829 20 0 EHADRM CCCC(O)(CCC)CC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000236785947 960757390 /nfs/dbraw/zinc/75/73/90/960757390.db2.gz XZIZINVZMUOTMF-UHFFFAOYSA-N -1 0 327.808 3.698 20 0 EHADRM CC(C)c1ccc(-c2nc(C(=O)N(C)C[C@H](C)C(=O)[O-])cs2)cc1 ZINC000236785789 960758385 /nfs/dbraw/zinc/75/83/85/960758385.db2.gz RMINWSAKYNTHCF-LBPRGKRZSA-N -1 0 346.452 3.726 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)c1ccc(OCC2CCCCC2)cc1 ZINC000236830697 960767911 /nfs/dbraw/zinc/76/79/11/960767911.db2.gz PLGYVECHWRKGCS-UHFFFAOYSA-N -1 0 333.428 3.583 20 0 EHADRM CC[C@@H](C)[N@H+](CC(=O)[O-])Cc1c(C)nn(Cc2ccccc2)c1Cl ZINC000236857651 960778043 /nfs/dbraw/zinc/77/80/43/960778043.db2.gz CTCXJOQGIBQFPZ-CYBMUJFWSA-N -1 0 349.862 3.578 20 0 EHADRM CCC(CC)(CNC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000236870457 960785311 /nfs/dbraw/zinc/78/53/11/960785311.db2.gz UEOYVYOREKJGID-MSOLQXFVSA-N -1 0 339.435 3.951 20 0 EHADRM CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000236892453 960791359 /nfs/dbraw/zinc/79/13/59/960791359.db2.gz QKHYJQQVDRMORB-OAHLLOKOSA-N -1 0 331.343 3.628 20 0 EHADRM CC[C@@H](CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccc(C)cc1 ZINC000236915063 960798346 /nfs/dbraw/zinc/79/83/46/960798346.db2.gz NOEMKRZZHHKOCS-IRXDYDNUSA-N -1 0 331.456 3.982 20 0 EHADRM CCC[C@@](C)(NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000236958161 960812800 /nfs/dbraw/zinc/81/28/00/960812800.db2.gz MBDWDJDQJOCORY-HXUWFJFHSA-N -1 0 325.408 3.656 20 0 EHADRM CCC[C@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000236998593 960829851 /nfs/dbraw/zinc/82/98/51/960829851.db2.gz XUNZGBURRVXUOI-GXFFZTMASA-N -1 0 342.233 3.517 20 0 EHADRM CCC[C@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000237002159 960833062 /nfs/dbraw/zinc/83/30/62/960833062.db2.gz IBLSJDGVEAONSC-DLBZAZTESA-N -1 0 343.448 3.890 20 0 EHADRM CCC[C@H](NC(=O)c1ccccc1Sc1ccccc1)C(=O)[O-] ZINC000237013564 960835895 /nfs/dbraw/zinc/83/58/95/960835895.db2.gz PMFGNPNUUHMFBS-HNNXBMFYSA-N -1 0 329.421 3.821 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000237057218 960856513 /nfs/dbraw/zinc/85/65/13/960856513.db2.gz BRNXXSBLKYCGRS-UHFFFAOYSA-N -1 0 337.297 3.676 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cn(CC(C)C)c2ccccc12 ZINC000237126025 960874893 /nfs/dbraw/zinc/87/48/93/960874893.db2.gz IIXZKTQKBXZQCH-LJQANCHMSA-N -1 0 330.428 3.671 20 0 EHADRM COc1ccc2cc(CNC(=O)c3ccc(C(=O)[O-])s3)ccc2c1 ZINC000237277919 960901928 /nfs/dbraw/zinc/90/19/28/960901928.db2.gz NCJJUSHBUUDGBY-UHFFFAOYSA-N -1 0 341.388 3.538 20 0 EHADRM Cc1ccc(CN(C)C(=O)c2ccccc2S[C@H](C)C(=O)[O-])cc1 ZINC000237366377 960917020 /nfs/dbraw/zinc/91/70/20/960917020.db2.gz GWQZFZOADGCJNQ-CQSZACIVSA-N -1 0 343.448 3.832 20 0 EHADRM C[C@@H](CN(C)C(=O)[C@@H](Sc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000237389503 960924621 /nfs/dbraw/zinc/92/46/21/960924621.db2.gz RKKRGTXIIPQXEA-YOEHRIQHSA-N -1 0 343.448 3.699 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(Cl)ccc2F)cc1 ZINC001319219705 960927876 /nfs/dbraw/zinc/92/78/76/960927876.db2.gz ZQEVTIKOLAEPOG-HNNXBMFYSA-N -1 0 335.762 3.733 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)c1ccc(SCc2ccccc2)cc1 ZINC000237469380 960941724 /nfs/dbraw/zinc/94/17/24/960941724.db2.gz IATYTSDWOJIABN-ZDUSSCGKSA-N -1 0 329.421 3.572 20 0 EHADRM Cc1cc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])sc1C ZINC000237488773 960943472 /nfs/dbraw/zinc/94/34/72/960943472.db2.gz IOSLRBVYXBLCHH-ZDUSSCGKSA-N -1 0 331.437 3.728 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001319416544 960947308 /nfs/dbraw/zinc/94/73/08/960947308.db2.gz IAVGVVJONPEJFR-GFCCVEGCSA-N -1 0 327.380 3.834 20 0 EHADRM COc1ccc(C2(NC(=O)c3cccc(C(=O)[O-])c3)CCCC2)cc1 ZINC000237500772 960947442 /nfs/dbraw/zinc/94/74/42/960947442.db2.gz KUEXQXQQOOVRQM-UHFFFAOYSA-N -1 0 339.391 3.593 20 0 EHADRM COc1ccc(C2(NC(=O)c3ccc(C(=O)[O-])cc3)CCCC2)cc1 ZINC000237500521 960948660 /nfs/dbraw/zinc/94/86/60/960948660.db2.gz RZLWDEPXSRLEQE-UHFFFAOYSA-N -1 0 339.391 3.593 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccc(Cl)c(Cl)c1 ZINC000237517419 960951153 /nfs/dbraw/zinc/95/11/53/960951153.db2.gz OYAFKDJLTFWVSF-MRVPVSSYSA-N -1 0 339.178 3.578 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])o1)c1cccc(Cl)c1Cl ZINC000237520689 960953577 /nfs/dbraw/zinc/95/35/77/960953577.db2.gz ZVKZJLLRHDAMKC-SSDOTTSWSA-N -1 0 328.151 3.776 20 0 EHADRM Cc1ccc(Cl)c(O[C@@H](C)C(=O)NCCCCCCC(=O)[O-])c1 ZINC000237588439 960970106 /nfs/dbraw/zinc/97/01/06/960970106.db2.gz DLWBKSZBFRFZPA-ZDUSSCGKSA-N -1 0 341.835 3.567 20 0 EHADRM CCC1(CC)CCCN(C(=O)NC[C@H](CC(C)C)C(=O)[O-])CC1 ZINC001573822665 960976413 /nfs/dbraw/zinc/97/64/13/960976413.db2.gz PNRDACCBUNCVKK-HNNXBMFYSA-N -1 0 326.481 3.735 20 0 EHADRM Cc1cc(C(=O)NC2(C(=O)[O-])CCCCCC2)c2ccc(F)cc2n1 ZINC001320904777 960992950 /nfs/dbraw/zinc/99/29/50/960992950.db2.gz KAVFBRNHHBFDCG-UHFFFAOYSA-N -1 0 344.386 3.590 20 0 EHADRM Cc1ccccc1C1(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)CCCCC1 ZINC000237688926 960998224 /nfs/dbraw/zinc/99/82/24/960998224.db2.gz SSDUCGHJJOJDSH-LJQANCHMSA-N -1 0 329.440 3.520 20 0 EHADRM Cc1sc(C(=O)N2CCC[C@H]2C(=O)[O-])cc1-c1ccc(F)cc1 ZINC000237696893 960999415 /nfs/dbraw/zinc/99/94/15/960999415.db2.gz BTMLTPVNRCPGJI-AWEZNQCLSA-N -1 0 333.384 3.552 20 0 EHADRM Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccc(C(=O)[O-])cc2C)c1 ZINC001321658175 961003386 /nfs/dbraw/zinc/00/33/86/961003386.db2.gz PZKWTTKDCXZQGM-UHFFFAOYSA-N -1 0 339.391 3.912 20 0 EHADRM Cc1ccc(CN(Cc2ccco2)C(=O)c2ccc(C(=O)[O-])o2)s1 ZINC000237721174 961009601 /nfs/dbraw/zinc/00/96/01/961009601.db2.gz FAXLQJMOCPPECZ-UHFFFAOYSA-N -1 0 345.376 3.783 20 0 EHADRM Cc1ccc(C(=O)Nc2nc3ccccn3c2C(=O)[O-])c(Cl)c1C ZINC001574357716 961010665 /nfs/dbraw/zinc/01/06/65/961010665.db2.gz WPNMKTHYUHIXCU-UHFFFAOYSA-N -1 0 343.770 3.555 20 0 EHADRM Cc1cccc([C@H]2CCCCN2C(=O)c2ccnc(C(=O)[O-])c2)c1C ZINC000237797151 961026189 /nfs/dbraw/zinc/02/61/89/961026189.db2.gz NAFZFMUTHAWLTO-GOSISDBHSA-N -1 0 338.407 3.764 20 0 EHADRM Cc1ccc(C[C@H](C)N(C)C(=O)NC[C@H](CC(=O)[O-])CC(C)C)cc1 ZINC001574361489 961029346 /nfs/dbraw/zinc/02/93/46/961029346.db2.gz LJMZDLHFLSBEDU-WMZOPIPTSA-N -1 0 348.487 3.704 20 0 EHADRM Cc1cc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c(Cl)cc1F ZINC000237857731 961035389 /nfs/dbraw/zinc/03/53/89/961035389.db2.gz PNJGSSIFRXWRQY-LKTVYLICSA-N -1 0 339.794 3.645 20 0 EHADRM Cc1ccc(CCNC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c(C)c1 ZINC001574366644 961044234 /nfs/dbraw/zinc/04/42/34/961044234.db2.gz OMHAGFFBLVEFOD-UHFFFAOYSA-N -1 0 326.396 3.674 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(CCc2ccccc2)Cc2ccccc2)o1 ZINC000237967220 961057830 /nfs/dbraw/zinc/05/78/30/961057830.db2.gz WWTOFKOZRGRPSP-UHFFFAOYSA-N -1 0 349.386 3.863 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc2ccccc2s1 ZINC000237983228 961065919 /nfs/dbraw/zinc/06/59/19/961065919.db2.gz KWLIXVFEGIXCNA-UBHSHLNASA-N -1 0 329.421 3.759 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)CCOCC(F)(F)F)ccc2s1 ZINC000238010206 961073939 /nfs/dbraw/zinc/07/39/39/961073939.db2.gz RBZASKTWEDBFMU-UHFFFAOYSA-N -1 0 347.314 3.507 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)s1 ZINC000238049995 961087977 /nfs/dbraw/zinc/08/79/77/961087977.db2.gz PKBXOXFMIVZGRX-UHFFFAOYSA-N -1 0 330.390 3.822 20 0 EHADRM CC(C)(C)OC1CC(CC(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)C1 ZINC001588732061 961092356 /nfs/dbraw/zinc/09/23/56/961092356.db2.gz KGTWFPBHUOGOKW-XUJLQICISA-N -1 0 345.439 3.575 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H]1NC(=O)c1ccc(OCC2CCCCC2)cc1 ZINC000238119102 961107469 /nfs/dbraw/zinc/10/74/69/961107469.db2.gz XTKLYWMOXKXKEQ-ROUUACIJSA-N -1 0 345.439 3.629 20 0 EHADRM CCCCc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001573848955 961116719 /nfs/dbraw/zinc/11/67/19/961116719.db2.gz WYLISCHZNIYOLE-KRWDZBQOSA-N -1 0 329.371 3.724 20 0 EHADRM CCCCOc1cccc(CNC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)c1 ZINC001573849210 961120990 /nfs/dbraw/zinc/12/09/90/961120990.db2.gz RJRLMIXCOREVJJ-UHFFFAOYSA-N -1 0 347.455 3.619 20 0 EHADRM CCCN(C)c1ccc(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001573849638 961133449 /nfs/dbraw/zinc/13/34/49/961133449.db2.gz ZJYNUNWVGGESQI-MRXNPFEDSA-N -1 0 334.460 3.542 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000238163757 961140054 /nfs/dbraw/zinc/14/00/54/961140054.db2.gz ZCYLZTYGBQLSEE-UHFFFAOYSA-N -1 0 335.787 3.975 20 0 EHADRM CC(C)(C)c1ccc(-c2cc(NC(=O)[C@H](C(=O)[O-])C3CC3)on2)cc1 ZINC001588739145 961144585 /nfs/dbraw/zinc/14/45/85/961144585.db2.gz ATZJJURRAVAFBM-MRXNPFEDSA-N -1 0 342.395 3.688 20 0 EHADRM O=C([O-])CCCCNC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 ZINC000238184189 961149837 /nfs/dbraw/zinc/14/98/37/961149837.db2.gz VXZJRONJUGPAIX-PKNBQFBNSA-N -1 0 347.411 3.939 20 0 EHADRM O=C([O-])c1cccc(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)c1 ZINC000238201399 961157453 /nfs/dbraw/zinc/15/74/53/961157453.db2.gz KLZMVWSIZUEYJB-UHFFFAOYSA-N -1 0 329.783 3.843 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCCc3cc(OC(F)F)ccc32)c1 ZINC000238203900 961159566 /nfs/dbraw/zinc/15/95/66/961159566.db2.gz OODVFQGQUVBFKV-UHFFFAOYSA-N -1 0 347.317 3.579 20 0 EHADRM O=C([O-])c1cccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000238210736 961163961 /nfs/dbraw/zinc/16/39/61/961163961.db2.gz GEOLCGCIZWEHNB-MRXNPFEDSA-N -1 0 329.783 3.919 20 0 EHADRM CC(C)(C)c1ccc(O)c(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)c1 ZINC001588741284 961170272 /nfs/dbraw/zinc/17/02/72/961170272.db2.gz ZCGZARWEURPHLS-TWGQIWQCSA-N -1 0 329.352 3.633 20 0 EHADRM CN(C(=O)c1cc2cc(Cl)ccc2s1)C(C)(C)CC(=O)[O-] ZINC001328575770 961213641 /nfs/dbraw/zinc/21/36/41/961213641.db2.gz YIVAUYHTQVZDNR-UHFFFAOYSA-N -1 0 325.817 3.880 20 0 EHADRM CN(C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C(C)(C)CC(=O)[O-] ZINC001328575032 961214089 /nfs/dbraw/zinc/21/40/89/961214089.db2.gz SWGMHKIOPJAMFO-VXGBXAGGSA-N -1 0 344.238 3.809 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)Nc2ccc(SC(F)(F)F)cc2)C1 ZINC001328715818 961219551 /nfs/dbraw/zinc/21/95/51/961219551.db2.gz ZYMDQSJUVKVWPK-CYBMUJFWSA-N -1 0 348.346 3.627 20 0 EHADRM O=C([O-])[C@H](c1ccccc1Cl)N1CCO[C@H](c2ccccc2F)C1 ZINC001328739761 961222169 /nfs/dbraw/zinc/22/21/69/961222169.db2.gz KKWRVAHSSYJZHA-IRXDYDNUSA-N -1 0 349.789 3.678 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000263213957 1125476796 /nfs/dbraw/zinc/47/67/96/1125476796.db2.gz ZNKCXEHNIBDWJN-WMLDXEAASA-N -1 0 338.407 3.928 20 0 EHADRM Cc1ccc(CO[C@@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2C)cc1 ZINC001329216242 961249355 /nfs/dbraw/zinc/24/93/55/961249355.db2.gz VQWDMIPUMXTYSR-AWEZNQCLSA-N -1 0 327.380 3.545 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N3CCCCC[C@@H]3C(=O)[O-])c(Cl)c2c1 ZINC001329496302 961274429 /nfs/dbraw/zinc/27/44/29/961274429.db2.gz UBJNEYZAQDLHQN-CYBMUJFWSA-N -1 0 334.803 3.599 20 0 EHADRM CC(C)(CNC(=O)C1(C(=O)[O-])CCCCCC1)c1ccccc1F ZINC001588779696 961302202 /nfs/dbraw/zinc/30/22/02/961302202.db2.gz MLCCXRXCCUBGTR-UHFFFAOYSA-N -1 0 335.419 3.645 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c2ccccc21 ZINC000261596997 961382898 /nfs/dbraw/zinc/38/28/98/961382898.db2.gz AAGGETOJWXUXAM-GMXVVIOVSA-N -1 0 341.329 3.570 20 0 EHADRM C[C@@H]1CCc2c(C(=O)Nc3ccc(OCC(=O)[O-])cc3)csc2C1 ZINC000261735904 961390036 /nfs/dbraw/zinc/39/00/36/961390036.db2.gz SFYFBSUONFWSQC-LLVKDONJSA-N -1 0 345.420 3.589 20 0 EHADRM O=C([O-])CC1CCN(C(=O)c2cc3c(s2)CCCCCC3)CC1 ZINC000261850215 961395648 /nfs/dbraw/zinc/39/56/48/961395648.db2.gz ZSUILKIKHICCAX-UHFFFAOYSA-N -1 0 335.469 3.734 20 0 EHADRM CCc1ccc(C(C)(C)NC(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC000262059806 961421877 /nfs/dbraw/zinc/42/18/77/961421877.db2.gz BNROAPDKBBPVCD-UHFFFAOYSA-N -1 0 339.435 3.931 20 0 EHADRM Cc1oc2ccccc2c1CC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC001574443690 961430924 /nfs/dbraw/zinc/43/09/24/961430924.db2.gz CUJWMZSLUXMAPC-CQSZACIVSA-N -1 0 329.396 3.530 20 0 EHADRM CC[C@H](Cc1ccccc1)N(C)C(=O)CCc1ccccc1C(=O)[O-] ZINC000262078390 961438783 /nfs/dbraw/zinc/43/87/83/961438783.db2.gz BGZGBGDZRDUKIC-GOSISDBHSA-N -1 0 339.435 3.797 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)CCCc1ccccc1 ZINC000262100788 961456434 /nfs/dbraw/zinc/45/64/34/961456434.db2.gz CGSCLPBBIUJAGB-UHFFFAOYSA-N -1 0 339.435 3.903 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@H]1CCC[C@H](F)C1)c1cccc2ccccc21 ZINC001332189046 961524628 /nfs/dbraw/zinc/52/46/28/961524628.db2.gz HKLGPXCAAZUNAK-ZQIUZPCESA-N -1 0 329.371 3.610 20 0 EHADRM CC1=C(C(=O)N(CC(=O)[O-])Cc2ccc(C(F)(F)F)cc2)CCC1 ZINC000262220843 961565453 /nfs/dbraw/zinc/56/54/53/961565453.db2.gz VIOXCNKTWAGUMQ-UHFFFAOYSA-N -1 0 341.329 3.619 20 0 EHADRM Cc1ccc(OCCC(=O)Nc2cccc(CCC(=O)[O-])c2)cc1C ZINC000262222197 961566886 /nfs/dbraw/zinc/56/68/86/961566886.db2.gz MUGMKGJNFFPDNZ-UHFFFAOYSA-N -1 0 341.407 3.728 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N(Cc1ccccc1)CC1CCC1 ZINC000262226592 961570783 /nfs/dbraw/zinc/57/07/83/961570783.db2.gz RTHFDUWBNQDLNW-UHFFFAOYSA-N -1 0 337.419 3.756 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C2(c3ccccc3)CCCC2)Cc2ccccc21 ZINC000262226622 961570917 /nfs/dbraw/zinc/57/09/17/961570917.db2.gz RUEMJFRFPMSOGI-LJQANCHMSA-N -1 0 349.430 3.709 20 0 EHADRM COc1c(Br)cc(Cl)cc1NC1CC(CC(=O)[O-])C1 ZINC001332433677 961575681 /nfs/dbraw/zinc/57/56/81/961575681.db2.gz WZJGZKJXNWJWMX-UHFFFAOYSA-N -1 0 348.624 3.776 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC000262252226 961594577 /nfs/dbraw/zinc/59/45/77/961594577.db2.gz VOKXIUJDDQKEHJ-IBGZPJMESA-N -1 0 337.419 3.990 20 0 EHADRM CC(C)[C@H](CNC(=O)N1C[C@H](C(C)(C)C)c2ccccc21)C(=O)[O-] ZINC001588821642 961631397 /nfs/dbraw/zinc/63/13/97/961631397.db2.gz QYUGCQRJTRZCGB-GJZGRUSLSA-N -1 0 332.444 3.703 20 0 EHADRM CCCC[C@@H](NC(=O)c1c[nH]cc1-c1ccc(Cl)s1)C(=O)[O-] ZINC000262325082 961645143 /nfs/dbraw/zinc/64/51/43/961645143.db2.gz WSQDICLIAMNLNK-LLVKDONJSA-N -1 0 340.832 3.770 20 0 EHADRM CCc1ccc(-c2nc(C(=O)N[C@H](CC(C)C)C(=O)[O-])cs2)cc1 ZINC001573953648 961655991 /nfs/dbraw/zinc/65/59/91/961655991.db2.gz BEXMYOLKEDBQPK-CQSZACIVSA-N -1 0 346.452 3.602 20 0 EHADRM Cc1cccc2cc(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)oc21 ZINC000262379633 961683644 /nfs/dbraw/zinc/68/36/44/961683644.db2.gz LGWMRABJISXNIS-QEJZJMRPSA-N -1 0 327.380 3.599 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2ccc(OC3CCC3)cc2)c1 ZINC000262519579 961759306 /nfs/dbraw/zinc/75/93/06/961759306.db2.gz NPVISSMHRDLCIM-UHFFFAOYSA-N -1 0 339.391 3.887 20 0 EHADRM CN(C(=O)C1(C(=O)[O-])CCSCC1)C1CC(C)(C)CC(C)(C)C1 ZINC001573980073 961764977 /nfs/dbraw/zinc/76/49/77/961764977.db2.gz OPDFNTCFFYARCT-UHFFFAOYSA-N -1 0 341.517 3.648 20 0 EHADRM CC(C)(CNC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccccc1Cl ZINC000262709684 961819271 /nfs/dbraw/zinc/81/92/71/961819271.db2.gz LAUYLTIARRDUTO-JOCQHMNTSA-N -1 0 337.847 3.625 20 0 EHADRM C[C@]1(CCc2ccccc2)CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C1 ZINC000262731719 961834826 /nfs/dbraw/zinc/83/48/26/961834826.db2.gz AZZWMFXCIGZPQE-WFXMLNOXSA-N -1 0 343.467 3.749 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C2CC2)o1 ZINC000262738723 961838229 /nfs/dbraw/zinc/83/82/29/961838229.db2.gz VXHKUKXJZFXOAH-WSMBLCCSSA-N -1 0 345.439 3.785 20 0 EHADRM Cc1coc(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)c1C ZINC001334995624 961873592 /nfs/dbraw/zinc/87/35/92/961873592.db2.gz BOKMRHDSDYDMAB-UHFFFAOYSA-N -1 0 342.395 3.837 20 0 EHADRM O=C([O-])CCCCCCNC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000262813022 961881553 /nfs/dbraw/zinc/88/15/53/961881553.db2.gz UOGVEFOVBPMMCX-UHFFFAOYSA-N -1 0 337.382 3.897 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000262828736 961893797 /nfs/dbraw/zinc/89/37/97/961893797.db2.gz BCCSZRKQEIOGFO-NEPJUHHUSA-N -1 0 345.370 3.502 20 0 EHADRM CC(C)(C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1)C1CCCC1 ZINC000262851360 961918341 /nfs/dbraw/zinc/91/83/41/961918341.db2.gz HVZYEVRIWMPBOC-IAGOWNOFSA-N -1 0 329.440 3.530 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CC[C@@H](c2ccccc2)C1(C)C)C(=O)[O-] ZINC001588850619 961924009 /nfs/dbraw/zinc/92/40/09/961924009.db2.gz VJVYXOAXCQMUGN-SJORKVTESA-N -1 0 346.471 3.711 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC(Cc3ccccc3Cl)CC2)o1 ZINC001335432893 961929317 /nfs/dbraw/zinc/92/93/17/961929317.db2.gz OLUXTUYZNFFINA-UHFFFAOYSA-N -1 0 347.798 3.726 20 0 EHADRM CC(C)C[C@@H](CNC(=O)NCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001588852096 961937638 /nfs/dbraw/zinc/93/76/38/961937638.db2.gz MUJOCFVBAAHOSE-NSHDSACASA-N -1 0 347.242 3.540 20 0 EHADRM CC(C)C[C@H](CNC(=O)NC1(C(C)(C)c2ccccc2)CC1)C(=O)[O-] ZINC001588852866 961949939 /nfs/dbraw/zinc/94/99/39/961949939.db2.gz RBCOBWQLMSOZAM-OAHLLOKOSA-N -1 0 346.471 3.543 20 0 EHADRM CC[C@H]1CC[C@H](C(=O)N[C@@H](C)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC000262882286 961956399 /nfs/dbraw/zinc/95/63/99/961956399.db2.gz BVEZZKIGQRQILS-DZKIICNBSA-N -1 0 333.428 3.544 20 0 EHADRM O=C(N[C@@H](c1ccc(F)cc1)C1CCCCC1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001574549708 961970508 /nfs/dbraw/zinc/97/05/08/961970508.db2.gz OOFCNQYEHFCERJ-DJIMGWMZSA-N -1 0 348.418 3.610 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)/C=C\SCc2ccco2)cc1 ZINC001337289670 961980104 /nfs/dbraw/zinc/98/01/04/961980104.db2.gz ROTYNFFEYJXNDX-YHWKNFMLSA-N -1 0 345.420 3.667 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)C2CCc3ccccc3CC2)c2ccccc21 ZINC001574556771 961990213 /nfs/dbraw/zinc/99/02/13/961990213.db2.gz DQOYINDSTYPCQC-UXHICEINSA-N -1 0 349.430 3.611 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H]2CCC[C@@H](c3ccccc3)CC2)C1 ZINC001574557021 961993917 /nfs/dbraw/zinc/99/39/17/961993917.db2.gz XQYQARVVJXZTHM-XDNAFOTISA-N -1 0 329.440 3.720 20 0 EHADRM CC[C@H](C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC000262916123 961997083 /nfs/dbraw/zinc/99/70/83/961997083.db2.gz IAMYSFOWBDITCQ-WMZOPIPTSA-N -1 0 341.382 3.530 20 0 EHADRM Cc1nc(-c2ccsc2)ccc1C(=O)NC1(CC(=O)[O-])CCCC1 ZINC000262927323 962011169 /nfs/dbraw/zinc/01/11/69/962011169.db2.gz ONUZIYBPRCYGKP-UHFFFAOYSA-N -1 0 344.436 3.636 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1cc2c(s1)CCCCC2 ZINC000262945652 962030693 /nfs/dbraw/zinc/03/06/93/962030693.db2.gz MMRRZFSBWCNMJB-UHFFFAOYSA-N -1 0 345.420 3.976 20 0 EHADRM CC(C)OCCOCc1cccc(NC2CCC(C(=O)[O-])CC2)c1 ZINC000262957279 962042692 /nfs/dbraw/zinc/04/26/92/962042692.db2.gz BLPBCYPNOOOSBX-UHFFFAOYSA-N -1 0 335.444 3.684 20 0 EHADRM CC(C)CN(Cc1cccc(Cl)c1)C(=O)[C@@H](C(=O)[O-])C(C)C ZINC001588870219 962050434 /nfs/dbraw/zinc/05/04/34/962050434.db2.gz AZGZGCSNKOOCCO-HNNXBMFYSA-N -1 0 325.836 3.681 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC000262989799 962081724 /nfs/dbraw/zinc/08/17/24/962081724.db2.gz QDZADNRIZWGRRN-AWEZNQCLSA-N -1 0 337.375 3.594 20 0 EHADRM CC[C@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccc(F)cc1 ZINC001339943822 962089775 /nfs/dbraw/zinc/08/97/75/962089775.db2.gz DZFOXPVWHYFSEN-INIZCTEOSA-N -1 0 336.407 3.563 20 0 EHADRM CC(C)(CCCc1ccccc1)C(=O)N[C@H](CC(F)(F)F)C(=O)[O-] ZINC000263004880 962099492 /nfs/dbraw/zinc/09/94/92/962099492.db2.gz PEWMNFAFLTTXJR-CYBMUJFWSA-N -1 0 345.361 3.557 20 0 EHADRM C[C@@H](CC1CCCCC1)C(=O)N(C)c1ccc(OCC(=O)[O-])cc1 ZINC000263005433 962100340 /nfs/dbraw/zinc/10/03/40/962100340.db2.gz LCYUNRLAHPLECS-AWEZNQCLSA-N -1 0 333.428 3.719 20 0 EHADRM CCC[C@@H](CC1CCCC1)C(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000263005666 962103226 /nfs/dbraw/zinc/10/32/26/962103226.db2.gz MSSRRDYAAAMSJG-BBRMVZONSA-N -1 0 349.393 3.849 20 0 EHADRM O=C([O-])C1CCC(NC(=O)N(Cc2cccc(F)c2)C2CCC2)CC1 ZINC001341258347 962123122 /nfs/dbraw/zinc/12/31/22/962123122.db2.gz SAUGPNGWXQPOHU-UHFFFAOYSA-N -1 0 348.418 3.533 20 0 EHADRM CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)[C@@H](CC)C(=O)[O-] ZINC000263025642 962136830 /nfs/dbraw/zinc/13/68/30/962136830.db2.gz ANOIIGZATJQMPM-ZDUSSCGKSA-N -1 0 347.242 3.507 20 0 EHADRM CC(C)C[C@@H](NC(=O)[C@@H](OCC1CCCC1)c1ccccc1)C(=O)[O-] ZINC001588880746 962144177 /nfs/dbraw/zinc/14/41/77/962144177.db2.gz HTNQVSNAQOJYTP-MSOLQXFVSA-N -1 0 347.455 3.550 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N[C@H]1C[C@H](c2ccc(F)cc2F)C1 ZINC001574607383 962174109 /nfs/dbraw/zinc/17/41/09/962174109.db2.gz FNKHCMNFWIFRBA-UMSPYCQHSA-N -1 0 346.333 3.731 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@@H](C)CSc1ccccc1)CC(=O)[O-] ZINC001588887479 962185410 /nfs/dbraw/zinc/18/54/10/962185410.db2.gz JCLOIFJDZZAYCV-GJZGRUSLSA-N -1 0 337.485 3.668 20 0 EHADRM CC(C)C[C@H](CNC(=O)C1(Cc2ccccc2)CCC1)CC(=O)[O-] ZINC001588887770 962190896 /nfs/dbraw/zinc/19/08/96/962190896.db2.gz ZWMKKRLAXGXKSG-KRWDZBQOSA-N -1 0 331.456 3.653 20 0 EHADRM O=C([O-])c1c(NC(=O)c2occ3c2CCC3)sc2c1CCCC2 ZINC001574614082 962203947 /nfs/dbraw/zinc/20/39/47/962203947.db2.gz BGQIROKACVUVFA-UHFFFAOYSA-N -1 0 331.393 3.659 20 0 EHADRM Cn1c(C(=O)[O-])ccc1[C@H]1CCCCN1C(=O)C1CCC2(CC2)CC1 ZINC001344593077 962215051 /nfs/dbraw/zinc/21/50/51/962215051.db2.gz UCFPAXSUQQYSIC-MRXNPFEDSA-N -1 0 344.455 3.747 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1ccc(Oc2ccncc2)c(Cl)c1)C1CC1 ZINC001574617989 962238327 /nfs/dbraw/zinc/23/83/27/962238327.db2.gz ZRNAQUYUACSAHJ-OAHLLOKOSA-N -1 0 346.770 3.577 20 0 EHADRM CC(C)C[C@H](NC(=O)CCCOc1cccc2ccccc21)C(=O)[O-] ZINC001588899711 962252055 /nfs/dbraw/zinc/25/20/55/962252055.db2.gz VLYFZKYLRRHWNS-KRWDZBQOSA-N -1 0 343.423 3.614 20 0 EHADRM CC(C)C[C@H](NC(=O)Nc1ccccc1COC(C)(C)C)C(=O)[O-] ZINC001588901471 962257117 /nfs/dbraw/zinc/25/71/17/962257117.db2.gz NPPYBMWLXRRDSU-HNNXBMFYSA-N -1 0 336.432 3.623 20 0 EHADRM C[C@H](C(=O)N1CCCC[C@@H]1c1ccc(C(=O)[O-])n1C)c1ccsc1 ZINC001345185391 962259402 /nfs/dbraw/zinc/25/94/02/962259402.db2.gz MQXIPOADMSURQJ-SWLSCSKDSA-N -1 0 346.452 3.642 20 0 EHADRM CC[C@](CNC(=O)CCCc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000263111288 962263760 /nfs/dbraw/zinc/26/37/60/962263760.db2.gz XGNBZCXYZCAJJP-OAQYLSRUSA-N -1 0 339.435 3.558 20 0 EHADRM O=C([O-])[C@]1(C(=O)N2CC3(CCCC3)c3ccccc32)CC=CCC1 ZINC001574625043 962266502 /nfs/dbraw/zinc/26/65/02/962266502.db2.gz LGRSTJBIGHFYFX-HXUWFJFHSA-N -1 0 325.408 3.656 20 0 EHADRM Cc1cc(NC(=O)C(C)(C)COCc2ccccc2)ccc1C(=O)[O-] ZINC000263122271 962275165 /nfs/dbraw/zinc/27/51/65/962275165.db2.gz KTAQOQDFUVAEOR-UHFFFAOYSA-N -1 0 341.407 3.875 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000263154840 962308122 /nfs/dbraw/zinc/30/81/22/962308122.db2.gz ODJRGSPQSVFUHR-UHFFFAOYSA-N -1 0 337.725 3.732 20 0 EHADRM O=C([O-])C1(C(=O)NCc2ccc(Oc3ccccc3)cc2)CC=CC1 ZINC001574633840 962320567 /nfs/dbraw/zinc/32/05/67/962320567.db2.gz ZVVGRMGUTNTJAZ-UHFFFAOYSA-N -1 0 337.375 3.516 20 0 EHADRM CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000263179086 962333571 /nfs/dbraw/zinc/33/35/71/962333571.db2.gz GYJPIVARHIGQDH-LRDDRELGSA-N -1 0 345.370 3.810 20 0 EHADRM COc1ccc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)cc1OC(C)C ZINC000263184540 962340744 /nfs/dbraw/zinc/34/07/44/962340744.db2.gz HSSSROQVVHEFLE-UHFFFAOYSA-N -1 0 343.379 3.741 20 0 EHADRM Cc1oc(-c2ccccc2)c(C(=O)N2CCC[C@H](C(=O)[O-])C2)c1C ZINC000263187954 962344189 /nfs/dbraw/zinc/34/41/89/962344189.db2.gz SGNNYEOFMLGXOO-HNNXBMFYSA-N -1 0 327.380 3.500 20 0 EHADRM COc1ccc(C(=O)NCCCCCCC(=O)[O-])c2ccccc12 ZINC000263189180 962344242 /nfs/dbraw/zinc/34/42/42/962344242.db2.gz XRJDMVYXTCYAMO-UHFFFAOYSA-N -1 0 329.396 3.613 20 0 EHADRM Cc1ccc(OCC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c(C)c1 ZINC000263197345 962350759 /nfs/dbraw/zinc/35/07/59/962350759.db2.gz JJSASVGSNDCTPV-AWEZNQCLSA-N -1 0 327.380 3.509 20 0 EHADRM CN(C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccc(OCC(=O)[O-])cc1 ZINC000263208631 962365178 /nfs/dbraw/zinc/36/51/78/962365178.db2.gz ZJXOPWCEFWGPIP-HRCADAONSA-N -1 0 345.439 3.719 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)NC2(c3ccc(F)cc3)CCCC2)c1 ZINC001347520383 962388536 /nfs/dbraw/zinc/38/85/36/962388536.db2.gz DPOUPYLGZNFVPB-UHFFFAOYSA-N -1 0 341.382 3.652 20 0 EHADRM CC(C)(CNC(=O)CCCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000263253196 962394671 /nfs/dbraw/zinc/39/46/71/962394671.db2.gz FDDJRDRFKMHIQM-UHFFFAOYSA-N -1 0 345.361 3.744 20 0 EHADRM CCC[C@H](C(=O)N[C@@](C)(CC(=O)[O-])c1cccc(OC)c1)C(C)C ZINC000263271377 962410044 /nfs/dbraw/zinc/41/00/44/962410044.db2.gz XNJVGZSSJWLPFE-LPHOPBHVSA-N -1 0 335.444 3.574 20 0 EHADRM O=C([O-])C1CC(Nc2ccc(N3CCCCC3)c3ncccc23)C1 ZINC001574649901 962419269 /nfs/dbraw/zinc/41/92/69/962419269.db2.gz MHCFOKDVIUHPDF-UHFFFAOYSA-N -1 0 325.412 3.500 20 0 EHADRM O=C([O-])[C@@H]1CCN(Cc2nc(-c3ccccc3)c[nH]2)c2ccccc21 ZINC001574655919 962458303 /nfs/dbraw/zinc/45/83/03/962458303.db2.gz JWMCKUYQQUBWSA-MRXNPFEDSA-N -1 0 333.391 3.655 20 0 EHADRM CC(C)OCc1ccccc1CNC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001588935341 962493871 /nfs/dbraw/zinc/49/38/71/962493871.db2.gz WZVAKYHWNWARDT-UHFFFAOYSA-N -1 0 342.395 3.632 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)C(C)(C)Oc2ccc(F)cc2)cc1 ZINC000263346433 962498768 /nfs/dbraw/zinc/49/87/68/962498768.db2.gz UEMNCQQCRLFSTB-LBPRGKRZSA-N -1 0 345.370 3.810 20 0 EHADRM CC(C)Oc1ccc(N(C)C(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)cc1 ZINC001588937996 962511202 /nfs/dbraw/zinc/51/12/02/962511202.db2.gz CPEVOKLBBNQCDD-UHFFFAOYSA-N -1 0 333.428 3.574 20 0 EHADRM CC(C)COc1ccccc1NC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000263363870 962521349 /nfs/dbraw/zinc/52/13/49/962521349.db2.gz VKGPLVBQZNSIQB-UHFFFAOYSA-N -1 0 327.380 3.601 20 0 EHADRM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000263366886 962525433 /nfs/dbraw/zinc/52/54/33/962525433.db2.gz WKLWLRZHUBUGAX-ACJLOTCBSA-N -1 0 341.382 3.676 20 0 EHADRM C[C@@H](C(=O)N1CCC[C@@]1(C)C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000263392103 962553337 /nfs/dbraw/zinc/55/33/37/962553337.db2.gz CZUYTYDLDONDFV-PSLIRLAXSA-N -1 0 330.211 3.563 20 0 EHADRM Cc1ccc(SC2CCCC2)c(C(=O)NCC2(C(=O)[O-])CC2)c1 ZINC000263394484 962554879 /nfs/dbraw/zinc/55/48/79/962554879.db2.gz DHCZZHZITUUWIA-UHFFFAOYSA-N -1 0 333.453 3.624 20 0 EHADRM CC[C@@H](Nc1cccc(C(=O)[O-])n1)c1nc(C(F)(F)F)cs1 ZINC000263396438 962557644 /nfs/dbraw/zinc/55/76/44/962557644.db2.gz HTCDOCXDINUCCV-SSDOTTSWSA-N -1 0 331.319 3.818 20 0 EHADRM Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)c3ccc(C(=O)[O-])cc3)nc2c1 ZINC000263420278 962592201 /nfs/dbraw/zinc/59/22/01/962592201.db2.gz KYKFOJWRSBKXNG-KRWDZBQOSA-N -1 0 349.390 3.547 20 0 EHADRM Cc1cc(C(=O)Nc2nc3ccccc3n2C(C)(C)C)oc1C(=O)[O-] ZINC001351717062 962617778 /nfs/dbraw/zinc/61/77/78/962617778.db2.gz NPICDYOLOQJLGK-UHFFFAOYSA-N -1 0 341.367 3.643 20 0 EHADRM CCCCOc1ccc(NC(=O)c2c(C)coc2CC(=O)[O-])c(C)c1 ZINC000263450869 962636601 /nfs/dbraw/zinc/63/66/01/962636601.db2.gz SICIXLJXISXICE-UHFFFAOYSA-N -1 0 345.395 3.955 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000263457608 962645514 /nfs/dbraw/zinc/64/55/14/962645514.db2.gz UYBCWABAQKCFTL-HZPDHXFCSA-N -1 0 341.407 3.671 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1[nH]ccc1-c1ccccc1 ZINC001574692598 962655723 /nfs/dbraw/zinc/65/57/23/962655723.db2.gz XKPUYTPBOIGORN-HNNXBMFYSA-N -1 0 326.396 3.541 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)CCC2 ZINC001588970016 962668585 /nfs/dbraw/zinc/66/85/85/962668585.db2.gz ZJGITMYQZZDONF-SOLBZPMBSA-N -1 0 344.455 3.740 20 0 EHADRM CCCc1occc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000263482545 962669082 /nfs/dbraw/zinc/66/90/82/962669082.db2.gz AXEQJHKUWMYKJL-AWEZNQCLSA-N -1 0 335.787 3.831 20 0 EHADRM CCOCCOCc1cccc(NC2CCC(C(=O)[O-])CC2)c1C ZINC000263494288 962677795 /nfs/dbraw/zinc/67/77/95/962677795.db2.gz SGKSSMHSNTUFAN-UHFFFAOYSA-N -1 0 335.444 3.603 20 0 EHADRM CCOc1ccccc1[C@@H](CC)NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000263518055 962698924 /nfs/dbraw/zinc/69/89/24/962698924.db2.gz FSLLKPGWOMDRHC-IIAWOOMASA-N -1 0 333.428 3.544 20 0 EHADRM CCC(CC)(CNC(=O)[C@H](F)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000263516753 962699181 /nfs/dbraw/zinc/69/91/81/962699181.db2.gz FADCBSLFYNSTAT-GFCCVEGCSA-N -1 0 349.324 3.723 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000263521228 962704065 /nfs/dbraw/zinc/70/40/65/962704065.db2.gz HJXNOMYHJDREPQ-UURKPOQGSA-N -1 0 341.451 3.672 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2cc3c(cc2O)CCCC3)c1 ZINC001574710507 962707177 /nfs/dbraw/zinc/70/71/77/962707177.db2.gz ULLIUNZZMARSIM-UHFFFAOYSA-N -1 0 339.391 3.541 20 0 EHADRM CCC1(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)CCCCC1 ZINC000263527654 962708068 /nfs/dbraw/zinc/70/80/68/962708068.db2.gz KVOSHHCMXDLZDZ-IAGOWNOFSA-N -1 0 329.440 3.674 20 0 EHADRM Cc1ccc2c(c1)CCN2C(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000263554980 962726074 /nfs/dbraw/zinc/72/60/74/962726074.db2.gz YIWNWYNOYJEPMP-ZDUSSCGKSA-N -1 0 341.432 3.763 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000263557542 962727497 /nfs/dbraw/zinc/72/74/97/962727497.db2.gz ZNLXQMQKORDYJZ-ARFHVFGLSA-N -1 0 335.831 3.895 20 0 EHADRM C[C@@H](CC(=O)Nc1nc2ccccn2c1C(=O)[O-])C1CCCCC1 ZINC001588994800 962836585 /nfs/dbraw/zinc/83/65/85/962836585.db2.gz ZRHZBOMYSGIPEE-LBPRGKRZSA-N -1 0 329.400 3.578 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N[C@@H]3CCC[C@H]3CC(=O)[O-])c(Cl)c2c1 ZINC001520193490 962840610 /nfs/dbraw/zinc/84/06/10/962840610.db2.gz NHEMADYFLZSZKT-CMPLNLGQSA-N -1 0 334.803 3.503 20 0 EHADRM CCC[C@@H](CC(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000307983714 963241884 /nfs/dbraw/zinc/24/18/84/963241884.db2.gz ADOMRRBUWIOMAS-KBXCAEBGSA-N -1 0 344.455 3.742 20 0 EHADRM O=C([O-])c1sc(NCc2ccccc2Br)nc1Cl ZINC000311217271 963468802 /nfs/dbraw/zinc/46/88/02/963468802.db2.gz MZKCUFWYHRYINC-UHFFFAOYSA-N -1 0 347.621 3.869 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1ccccc1SCC(F)(F)F ZINC000314371037 963745314 /nfs/dbraw/zinc/74/53/14/963745314.db2.gz RNLKMYFWDLYIGM-UHFFFAOYSA-N -1 0 335.347 3.925 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)/C=C\c1ccc(Cl)s1 ZINC000314474360 963758005 /nfs/dbraw/zinc/75/80/05/963758005.db2.gz KXHSIHKIUUKMDF-UTCJRWHESA-N -1 0 333.796 3.702 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2cc(Cl)ccc2F)CCCCC1 ZINC000314839296 963819207 /nfs/dbraw/zinc/81/92/07/963819207.db2.gz RVJKDVJZPBTARS-UHFFFAOYSA-N -1 0 327.783 3.634 20 0 EHADRM O=C([O-])CC1CCN(C(=O)/C=C/c2c(Cl)cccc2Cl)CC1 ZINC000316506096 964019082 /nfs/dbraw/zinc/01/90/82/964019082.db2.gz MRXSRDRSZJNOLI-SNAWJCMRSA-N -1 0 342.222 3.720 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)CSCc1cccc(Cl)c1 ZINC000316799238 964056367 /nfs/dbraw/zinc/05/63/67/964056367.db2.gz LUSNKQXCLCOADI-ZDUSSCGKSA-N -1 0 343.876 3.579 20 0 EHADRM CCC(CC)(CNC(=O)N[C@H](C)c1cccc(Cl)c1)C(=O)[O-] ZINC000316898648 964071066 /nfs/dbraw/zinc/07/10/66/964071066.db2.gz RQICESDRDUUVLI-LLVKDONJSA-N -1 0 326.824 3.591 20 0 EHADRM Cc1cc(Cl)c(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1Cl ZINC000128374770 967623970 /nfs/dbraw/zinc/62/39/70/967623970.db2.gz MPJRUDQRMMMIDB-SECBINFHSA-N -1 0 331.199 3.630 20 0 EHADRM O=C([O-])c1cccc(C(=O)NCCSc2ccc(Cl)cc2)c1 ZINC000238128508 967785628 /nfs/dbraw/zinc/78/56/28/967785628.db2.gz LAIUDCSJYNLNMC-UHFFFAOYSA-N -1 0 335.812 3.560 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc3c(ccc4ccccc34)[nH]2)CC[C@@H]1C(=O)[O-] ZINC000262851279 967829926 /nfs/dbraw/zinc/82/99/26/967829926.db2.gz DPZUWKPFNATZSI-OCCSQVGLSA-N -1 0 336.391 3.504 20 0 EHADRM COc1cc(Cl)c(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1Cl ZINC000263308485 967869198 /nfs/dbraw/zinc/86/91/98/967869198.db2.gz HQQADHQFVNOMIJ-ZJUUUORDSA-N -1 0 332.227 3.687 20 0 EHADRM O=C([O-])C1CCC(NC(=O)NC[C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000263428102 967890128 /nfs/dbraw/zinc/89/01/28/967890128.db2.gz YHKXLQPACOTJFF-IKJBURDNSA-N -1 0 344.455 3.513 20 0 EHADRM O=C([O-])C1(CNC(=O)c2sc3cc(F)ccc3c2Cl)CCC1 ZINC000318942471 967995448 /nfs/dbraw/zinc/99/54/48/967995448.db2.gz QQEPTJPVOSUTMW-UHFFFAOYSA-N -1 0 341.791 3.679 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000324374637 968030976 /nfs/dbraw/zinc/03/09/76/968030976.db2.gz KFILQZJZZOXTJU-JTQLQIEISA-N -1 0 346.305 3.695 20 0 EHADRM Cc1c(C(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])sc2cccc(F)c12 ZINC000324434593 968032743 /nfs/dbraw/zinc/03/27/43/968032743.db2.gz VPVISZOBXDJPLV-OTYXRUKQSA-N -1 0 335.400 3.674 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)[C@H]1CSc2ccccc21 ZINC000325705157 968039352 /nfs/dbraw/zinc/03/93/52/968039352.db2.gz QDOCJTREMWVDRL-HNNXBMFYSA-N -1 0 339.416 3.554 20 0 EHADRM CC(C)CCO[C@@H](C)C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000364839538 968057272 /nfs/dbraw/zinc/05/72/72/968057272.db2.gz CBTYSQMLPHEBDQ-HNNXBMFYSA-N -1 0 347.455 3.542 20 0 EHADRM Cc1csc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])c1Cl ZINC000389131748 968161223 /nfs/dbraw/zinc/16/12/23/968161223.db2.gz KQZYCFCRYOPPKJ-CYBMUJFWSA-N -1 0 335.812 3.534 20 0 EHADRM C[C@@H](CCNC(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1ccccc1 ZINC000392229533 968198073 /nfs/dbraw/zinc/19/80/73/968198073.db2.gz VVUAWMKDHPWBSG-DOTOQJQBSA-N -1 0 332.444 3.609 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)NCCCCCC(=O)[O-] ZINC000414630901 968339405 /nfs/dbraw/zinc/33/94/05/968339405.db2.gz VCWAHXOSNFBWSP-INMHGKMJSA-N -1 0 332.444 3.608 20 0 EHADRM CC(C)c1ccc(C[C@@H](C)NC(=O)NCCCCCC(=O)[O-])cc1 ZINC000414646886 968342064 /nfs/dbraw/zinc/34/20/64/968342064.db2.gz SEWCGJPZVHHCFW-OAHLLOKOSA-N -1 0 334.460 3.685 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)Nc1cccc(CCC(F)(F)F)c1)C1CC1 ZINC000514772367 968389595 /nfs/dbraw/zinc/38/95/95/968389595.db2.gz DPJNZSPRAUQZGL-SNVBAGLBSA-N -1 0 344.333 3.651 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1ccc(SC)c(Cl)c1)C(=O)[O-] ZINC000563926194 968418845 /nfs/dbraw/zinc/41/88/45/968418845.db2.gz MVNNHVWFCPUDFR-UFBFGSQYSA-N -1 0 330.837 3.683 20 0 EHADRM O=C([O-])c1ccc(CN2CCO[C@@H](c3cccc(Cl)c3)C2)s1 ZINC000573617299 968453571 /nfs/dbraw/zinc/45/35/71/968453571.db2.gz UCVVKTXWHKEMCD-CQSZACIVSA-N -1 0 337.828 3.673 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)N[C@@H](C(=O)[O-])C(C)C)ccc21 ZINC000578163297 968465038 /nfs/dbraw/zinc/46/50/38/968465038.db2.gz NZJYWKWYLIHUGQ-MRXNPFEDSA-N -1 0 331.416 3.528 20 0 EHADRM CCc1ccc([C@H](NC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)C(C)C)cc1 ZINC000626745565 968514658 /nfs/dbraw/zinc/51/46/58/968514658.db2.gz VVXJPBCOLSVQPC-JCGIZDLHSA-N -1 0 346.471 3.698 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000646143945 968561287 /nfs/dbraw/zinc/56/12/87/968561287.db2.gz HGLCAYGWTNSZAC-CYBMUJFWSA-N -1 0 344.411 3.699 20 0 EHADRM CCC(CC)(CNC(=O)N1CCC(C)(C(=O)[O-])CC1)c1ccccc1 ZINC000646151367 968564052 /nfs/dbraw/zinc/56/40/52/968564052.db2.gz LNSOHSXMGHFWBC-UHFFFAOYSA-N -1 0 346.471 3.641 20 0 EHADRM C[C@H](C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)c1c(Cl)cccc1Cl ZINC000647755630 968581791 /nfs/dbraw/zinc/58/17/91/968581791.db2.gz VXCIYQFVEGFFEV-GARJFASQSA-N -1 0 344.238 3.666 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000653302215 968645370 /nfs/dbraw/zinc/64/53/70/968645370.db2.gz LEWKAIIADMMMES-UHFFFAOYSA-N -1 0 343.427 3.592 20 0 EHADRM CC(C)Oc1ccccc1C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000653334802 968665862 /nfs/dbraw/zinc/66/58/62/968665862.db2.gz HRESAQIXQUUIKK-IRXDYDNUSA-N -1 0 339.391 3.517 20 0 EHADRM CC(C)c1ccc2c(c1)CN(C(=O)NC1CCC(C(=O)[O-])CC1)CC2 ZINC000659406993 968735113 /nfs/dbraw/zinc/73/51/13/968735113.db2.gz VEXUJVBZPDHYGS-UHFFFAOYSA-N -1 0 344.455 3.521 20 0 EHADRM CSc1cc(N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)nc(SC)n1 ZINC000662884460 968758609 /nfs/dbraw/zinc/75/86/09/968758609.db2.gz UNTDFEHIVQMHSF-NEPJUHHUSA-N -1 0 347.465 3.646 20 0 EHADRM C[C@@H](C(=O)N([C@H](C)C(=O)[O-])C1CC1)c1c(Cl)cccc1Cl ZINC000666364142 968838889 /nfs/dbraw/zinc/83/88/89/968838889.db2.gz ODMABYOQLQHOQL-RKDXNWHRSA-N -1 0 330.211 3.561 20 0 EHADRM Cc1ccc([C@@H](NC(=O)c2coc(/C=C/C(=O)[O-])c2)C2CC2)cc1 ZINC000901584309 969442815 /nfs/dbraw/zinc/44/28/15/969442815.db2.gz FCQGLQUNLKNTKH-GFOMBABLSA-N -1 0 325.364 3.567 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2coc(/C=C/C(=O)[O-])c2)C1 ZINC000901600088 969446521 /nfs/dbraw/zinc/44/65/21/969446521.db2.gz VUAADGNJVHLHNN-FHFZEBMASA-N -1 0 339.391 3.704 20 0 EHADRM CC(C)(C)c1csc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)n1 ZINC000901638918 969454681 /nfs/dbraw/zinc/45/46/81/969454681.db2.gz HHXZESICTXYWRA-GFCCVEGCSA-N -1 0 344.436 3.659 20 0 EHADRM COc1cc(C)cc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)c1C ZINC000901640985 969455810 /nfs/dbraw/zinc/45/58/10/969455810.db2.gz YUFCECKXUNYEAY-OAHLLOKOSA-N -1 0 339.391 3.531 20 0 EHADRM CCCn1ccc2ccc(NC(=O)C3(C(=O)[O-])CCSCC3)cc21 ZINC000901774070 969473137 /nfs/dbraw/zinc/47/31/37/969473137.db2.gz HLPOIAMUILIKQK-UHFFFAOYSA-N -1 0 346.452 3.588 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)[C@@H](C)c2ccc(Cl)s2)C1 ZINC001341238728 969747719 /nfs/dbraw/zinc/74/77/19/969747719.db2.gz LSFYXWLLBUITEC-ZUZCIYMTSA-N -1 0 329.849 3.608 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC001606546119 970313059 /nfs/dbraw/zinc/31/30/59/970313059.db2.gz GTRCXTZYYOJACC-HOTGVXAUSA-N -1 0 332.359 3.675 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)Nc2cc(Cl)c(F)c(Cl)c2)o1 ZINC000318285677 970421901 /nfs/dbraw/zinc/42/19/01/970421901.db2.gz KJPXWKKLBPWHGF-UHFFFAOYSA-N -1 0 347.129 3.745 20 0 EHADRM Cc1csc(C(=O)[O-])c1S(=O)(=O)NCCCCCCC(C)C ZINC000318633022 970455883 /nfs/dbraw/zinc/45/58/83/970455883.db2.gz YSFCRIIQSNSKLI-UHFFFAOYSA-N -1 0 347.502 3.640 20 0 EHADRM O=C([O-])[C@@H](CC1CC1)NC(=O)c1sc2cc(F)ccc2c1Cl ZINC000319290876 970521135 /nfs/dbraw/zinc/52/11/35/970521135.db2.gz HOBTYBDTWCLITI-SNVBAGLBSA-N -1 0 341.791 3.677 20 0 EHADRM Cc1sc(NC(=O)COc2ccc(C)cc2C)c(C(=O)[O-])c1C ZINC000320102075 970614485 /nfs/dbraw/zinc/61/44/85/970614485.db2.gz YLIQBACKWIDWNA-UHFFFAOYSA-N -1 0 333.409 3.697 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)c2ccc(F)cc2Cl)c1F ZINC000320145898 970621577 /nfs/dbraw/zinc/62/15/77/970621577.db2.gz LSMWEIOYSNAZBC-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM O=C([O-])CC1(CNC(=O)/C=C/c2ccc(Cl)cc2)CCCCC1 ZINC000320359058 970652412 /nfs/dbraw/zinc/65/24/12/970652412.db2.gz GWKXGHKHHLXBLB-RMKNXTFCSA-N -1 0 335.831 3.895 20 0 EHADRM CCn1nc(C(C)C)cc1C(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000320405614 970659758 /nfs/dbraw/zinc/65/97/58/970659758.db2.gz AFBKRORKEMSOHF-UHFFFAOYSA-N -1 0 335.429 3.655 20 0 EHADRM CCC(C)(C)OCc1ccccc1NC(=O)N[C@@H](C(=O)[O-])C(C)C ZINC001610120805 970678927 /nfs/dbraw/zinc/67/89/27/970678927.db2.gz ZLTDWZPCYUUMDX-OAHLLOKOSA-N -1 0 336.432 3.623 20 0 EHADRM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000320616326 970686274 /nfs/dbraw/zinc/68/62/74/970686274.db2.gz HRGZMSMTOVTMPZ-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)c2csc3ccccc23)c1 ZINC000320636411 970689258 /nfs/dbraw/zinc/68/92/58/970689258.db2.gz GIMYCPIUOACJHW-UHFFFAOYSA-N -1 0 325.389 3.572 20 0 EHADRM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000320645452 970690641 /nfs/dbraw/zinc/69/06/41/970690641.db2.gz IVWDLMNGWKSUNR-SECBINFHSA-N -1 0 337.734 3.583 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)CCSc2ccc(F)cc2)cc1 ZINC000320696207 970700907 /nfs/dbraw/zinc/70/09/07/970700907.db2.gz RCIGINIHQJTVJW-UHFFFAOYSA-N -1 0 333.384 3.574 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)CCSc2ccccc2F)cc1 ZINC000320742753 970709760 /nfs/dbraw/zinc/70/97/60/970709760.db2.gz ZBIMMMRMEWVMLD-UHFFFAOYSA-N -1 0 333.384 3.574 20 0 EHADRM COc1cc(Cl)ccc1C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000320853348 970723224 /nfs/dbraw/zinc/72/32/24/970723224.db2.gz PNJQXUDETHNOHS-UHFFFAOYSA-N -1 0 339.819 3.504 20 0 EHADRM Cc1cccc(CCC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)c1 ZINC000320873150 970725583 /nfs/dbraw/zinc/72/55/83/970725583.db2.gz MEBWJMSRJCWXAC-UHFFFAOYSA-N -1 0 329.421 3.815 20 0 EHADRM Cc1cc(C)cc(OCCCOc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC000393121095 972563280 /nfs/dbraw/zinc/56/32/80/972563280.db2.gz NWDQEDFVBOJGRX-UHFFFAOYSA-N -1 0 345.351 3.758 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)ccn1 ZINC001605868306 972629801 /nfs/dbraw/zinc/62/98/01/972629801.db2.gz GZTKHOJHFKMRPT-MRXNPFEDSA-N -1 0 343.358 3.582 20 0 EHADRM C[C@H]1CC[C@@](C)(CNC(=O)N2CCC[C@H](CCC(=O)[O-])C2)C1(C)C ZINC001605053811 972668683 /nfs/dbraw/zinc/66/86/83/972668683.db2.gz XVAITNJVUVQMFR-KHYOSLBOSA-N -1 0 338.492 3.735 20 0 EHADRM CC1(C)CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C[C@@H]1c1ccccc1 ZINC001603328715 972680945 /nfs/dbraw/zinc/68/09/45/972680945.db2.gz BPAVRGLFBMSJRT-GVDBMIGSSA-N -1 0 329.440 3.530 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NC[C@@H](C)Oc2cccc(Cl)c2)c1 ZINC001605138642 972804640 /nfs/dbraw/zinc/80/46/40/972804640.db2.gz PENOMNBURCBYLT-GFCCVEGCSA-N -1 0 347.798 3.544 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2ccccc2Br)c1 ZINC001605141240 972818174 /nfs/dbraw/zinc/81/81/74/972818174.db2.gz QAADXWISERAXHI-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)[C@H](C(=O)[O-])C(C)C ZINC001605141337 972818422 /nfs/dbraw/zinc/81/84/22/972818422.db2.gz VRKPAGGYQSSQDF-QGZVFWFLSA-N -1 0 333.472 3.616 20 0 EHADRM Cc1cc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c2ccccc2n1 ZINC000396354492 972863635 /nfs/dbraw/zinc/86/36/35/972863635.db2.gz BNSVXVXRSIVAOX-ZDUSSCGKSA-N -1 0 334.375 3.984 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cc1 ZINC000396626762 972924877 /nfs/dbraw/zinc/92/48/77/972924877.db2.gz LUAKJKLHSHRHAA-OAHLLOKOSA-N -1 0 341.407 3.981 20 0 EHADRM O=C([O-])C1(CNc2cnc3cc(Cl)c(Cl)cc3n2)CCC1 ZINC001605958307 972925068 /nfs/dbraw/zinc/92/50/68/972925068.db2.gz NSPTYHGTXNWYFD-UHFFFAOYSA-N -1 0 326.183 3.603 20 0 EHADRM Cc1ccc(SCC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cc1 ZINC000396636756 972926117 /nfs/dbraw/zinc/92/61/17/972926117.db2.gz PATVLIGHYFALSJ-ZDUSSCGKSA-N -1 0 329.421 3.914 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 ZINC001603379961 972944792 /nfs/dbraw/zinc/94/47/92/972944792.db2.gz AXOCSMUVWHILPD-JSGCOSHPSA-N -1 0 346.427 3.632 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)N(C)CCCC(=O)[O-])cc2)nc1 ZINC001605303099 973118635 /nfs/dbraw/zinc/11/86/35/973118635.db2.gz NQWKNEUKWHLPLR-UHFFFAOYSA-N -1 0 343.383 3.511 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1csc(-c2ccoc2)n1 ZINC001605322512 973163845 /nfs/dbraw/zinc/16/38/45/973163845.db2.gz YZXYYHUIYOKYBA-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM Cc1cccc([C@H](NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)C(=O)[O-])c1 ZINC001605328847 973189497 /nfs/dbraw/zinc/18/94/97/973189497.db2.gz RGHJNMBVQFQIRP-SQNIBIBYSA-N -1 0 337.419 3.677 20 0 EHADRM Cc1cccc([C@@H](NC(=O)Nc2ccnc(C(=O)[O-])c2)C(C)C)c1 ZINC001605329230 973195483 /nfs/dbraw/zinc/19/54/83/973195483.db2.gz VQYUSJHEEITPON-INIZCTEOSA-N -1 0 327.384 3.607 20 0 EHADRM C[C@@H]1CN(C(=O)CCCCc2ccc(Cl)cc2)CC[C@H]1C(=O)[O-] ZINC001603439571 973217384 /nfs/dbraw/zinc/21/73/84/973217384.db2.gz LZPVMTQPMSJERD-CZUORRHYSA-N -1 0 337.847 3.622 20 0 EHADRM Cc1cccc2sc(NC(=O)C3(C(=O)[O-])C(C)(C)C3(C)C)nc21 ZINC001605349854 973249364 /nfs/dbraw/zinc/24/93/64/973249364.db2.gz KRGABXIVZORKFS-UHFFFAOYSA-N -1 0 332.425 3.680 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)CCSc1ccccc1Cl)C(=O)[O-] ZINC000400483601 973287934 /nfs/dbraw/zinc/28/79/34/973287934.db2.gz DXTXAAOIQBBWAL-AAEUAGOBSA-N -1 0 343.876 3.828 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)c1cc(Cl)nc(C(C)(C)C)c1)C(=O)[O-] ZINC000400755958 973312471 /nfs/dbraw/zinc/31/24/71/973312471.db2.gz XNMUHXPXJKPLPT-JQWIXIFHSA-N -1 0 340.851 3.652 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)CCSc1ccc(C)c(C)c1)C(=O)[O-] ZINC000400755885 973312644 /nfs/dbraw/zinc/31/26/44/973312644.db2.gz XJFVTRGAXLSWIQ-MLGOLLRUSA-N -1 0 337.485 3.791 20 0 EHADRM C[C@H]1Cc2c(sc(NC(=O)C3(F)CCCC3)c2C(=O)[O-])[C@H](C)O1 ZINC001603474633 973359369 /nfs/dbraw/zinc/35/93/69/973359369.db2.gz DDGIRRDMGCOWGH-IUCAKERBSA-N -1 0 341.404 3.689 20 0 EHADRM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)C1(CC(=O)[O-])CCC1 ZINC001605397450 973376178 /nfs/dbraw/zinc/37/61/78/973376178.db2.gz LYXGRHJZBQSMMK-GFCCVEGCSA-N -1 0 338.473 3.739 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1ccccc1-c1nccs1 ZINC001606156543 973408900 /nfs/dbraw/zinc/40/89/00/973408900.db2.gz DEORPHKNIGBBFX-UHFFFAOYSA-N -1 0 333.413 3.577 20 0 EHADRM CC[C@H](C(=O)NC1(C(=O)[O-])CCCC1)c1cccc(C(F)(F)F)c1 ZINC001603488223 973418162 /nfs/dbraw/zinc/41/81/62/973418162.db2.gz IQEFPACOANSSBR-ZDUSSCGKSA-N -1 0 343.345 3.713 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2cccc3scnc32)c1 ZINC001606215753 973464605 /nfs/dbraw/zinc/46/46/05/973464605.db2.gz ROXKOZPGUNWZRF-UHFFFAOYSA-N -1 0 326.377 3.566 20 0 EHADRM CCC(CC)(CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)C(=O)[O-] ZINC001603540086 973593621 /nfs/dbraw/zinc/59/36/21/973593621.db2.gz IVHKJVOUFNZEIS-NXEZZACHSA-N -1 0 329.849 3.512 20 0 EHADRM CCC(CC)(CNC(=O)c1cc(F)ccc1-c1ccoc1)C(=O)[O-] ZINC001603540105 973593632 /nfs/dbraw/zinc/59/36/32/973593632.db2.gz KKAKTEIOLSMDBJ-UHFFFAOYSA-N -1 0 333.359 3.707 20 0 EHADRM Cn1cc(-c2csc(NC(=O)CC(C)(C)C3CC3)c2C(=O)[O-])cn1 ZINC001605477382 973593978 /nfs/dbraw/zinc/59/39/78/973593978.db2.gz TXXFDKSYCHLCKE-UHFFFAOYSA-N -1 0 347.440 3.612 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])cc1 ZINC001603544648 973602133 /nfs/dbraw/zinc/60/21/33/973602133.db2.gz LBLXSZAAKMUSSG-DYVFJYSZSA-N -1 0 333.428 3.579 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cscc1Br ZINC000404883623 973755947 /nfs/dbraw/zinc/75/59/47/973755947.db2.gz CVBMGWYQJHUOIN-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000405193581 973777282 /nfs/dbraw/zinc/77/72/82/973777282.db2.gz WURAHTQKXDAYTD-MAUKXSAKSA-N -1 0 339.391 3.852 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@H](C)c2ccccc2Cl)cc1 ZINC000107946730 1014143313 /nfs/dbraw/zinc/14/33/13/1014143313.db2.gz MFVJZBDOMGNEOK-DMZKTXOQSA-N -1 0 335.856 3.633 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Cc2cccc(Cl)c2Cl)C1 ZINC001603601447 973854112 /nfs/dbraw/zinc/85/41/12/973854112.db2.gz SIERHAGEMQSOCL-MRXNPFEDSA-N -1 0 344.238 3.639 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2cccc(-n3cccc3)c2)C1 ZINC001603601707 973857532 /nfs/dbraw/zinc/85/75/32/973857532.db2.gz XCMFKXPJFKRDBQ-LJQANCHMSA-N -1 0 341.411 3.586 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C2=C(c3ccccc3)CCCC2)C[C@H]1C1CC1 ZINC001606415052 973867568 /nfs/dbraw/zinc/86/75/68/973867568.db2.gz ISPOJMUXLOXVNC-RBUKOAKNSA-N -1 0 339.435 3.583 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)N2CC3CCC2CC3)c1Cl ZINC001606458904 973903290 /nfs/dbraw/zinc/90/32/90/973903290.db2.gz NQEOQKPYQUUUKD-UHFFFAOYSA-N -1 0 326.755 3.584 20 0 EHADRM CCC[C@@](C)(NC(=O)Nc1cncc(C(=O)[O-])c1)c1ccccc1 ZINC001603627468 973937867 /nfs/dbraw/zinc/93/78/67/973937867.db2.gz BFGWJMJYVWVGNV-GOSISDBHSA-N -1 0 327.384 3.617 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)NCCCCCC(=O)[O-])c1ccc(F)cc1 ZINC000414617227 973942643 /nfs/dbraw/zinc/94/26/43/973942643.db2.gz RAYCUMXZZADVSG-INIZCTEOSA-N -1 0 338.423 3.857 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NCc1ncc(Cl)s1 ZINC000417563301 973962244 /nfs/dbraw/zinc/96/22/44/973962244.db2.gz HEUGOFVGNPNXPR-UHFFFAOYSA-N -1 0 326.805 3.894 20 0 EHADRM COc1ccc(CNc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1OC ZINC000417614373 973965217 /nfs/dbraw/zinc/96/52/17/973965217.db2.gz VJLKKNGASXVFIG-ZDUSSCGKSA-N -1 0 329.396 3.579 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2oc(C3CC3)nc2C(F)F)c(F)c1 ZINC001606502173 973992095 /nfs/dbraw/zinc/99/20/95/973992095.db2.gz LLNBYPPUEVTMNZ-UHFFFAOYSA-N -1 0 340.257 3.579 20 0 EHADRM CCCCN(CC)c1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])cc1 ZINC001603647347 974003479 /nfs/dbraw/zinc/00/34/79/974003479.db2.gz HSEZMKGOHVRQQA-CRAIPNDOSA-N -1 0 346.471 3.638 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)NCCC(C)(C)C(=O)[O-])ccc2o1 ZINC000424387263 974024494 /nfs/dbraw/zinc/02/44/94/974024494.db2.gz WWMGYSJZSUGYCC-UHFFFAOYSA-N -1 0 347.415 3.748 20 0 EHADRM CC(C)(CCNC(=O)N1CCC[C@@](C)(c2ccccc2)CC1)C(=O)[O-] ZINC000424407230 974029764 /nfs/dbraw/zinc/02/97/64/974029764.db2.gz SCGKGGSVKXEQFA-HXUWFJFHSA-N -1 0 346.471 3.641 20 0 EHADRM Cc1ccc2oc(C(=O)N3C[C@@H](c4ccccc4)[C@H](C(=O)[O-])C3)cc2c1 ZINC000427685204 974055259 /nfs/dbraw/zinc/05/52/59/974055259.db2.gz LIKPZNNZQYAUBE-DLBZAZTESA-N -1 0 349.386 3.682 20 0 EHADRM COCc1cc(NC(=O)CSc2ccccc2C)cc(C(=O)[O-])c1 ZINC000427690915 974055352 /nfs/dbraw/zinc/05/53/52/974055352.db2.gz RFMJZZORBKHOKY-UHFFFAOYSA-N -1 0 345.420 3.570 20 0 EHADRM Cc1cccc2cc(C(=O)N(CCc3ccccc3)CC(=O)[O-])oc21 ZINC000427763241 974059073 /nfs/dbraw/zinc/05/90/73/974059073.db2.gz SBPDNFYSROEKQY-UHFFFAOYSA-N -1 0 337.375 3.511 20 0 EHADRM Cc1ccc2oc(C(=O)N(CCc3ccccc3)CC(=O)[O-])cc2c1 ZINC000427766171 974059094 /nfs/dbraw/zinc/05/90/94/974059094.db2.gz WOANRVJIYGHFKT-UHFFFAOYSA-N -1 0 337.375 3.511 20 0 EHADRM Cc1cc(C)cc(CCC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000431688536 974073602 /nfs/dbraw/zinc/07/36/02/974073602.db2.gz VBEHMLQWQMGTNU-UZLBHIALSA-N -1 0 339.435 3.814 20 0 EHADRM CCn1c(C(=O)N(C)C2(C(=O)[O-])CCCCC2)cc2ccccc21 ZINC000431998227 974082819 /nfs/dbraw/zinc/08/28/19/974082819.db2.gz LLDFYXSLKXBUGM-UHFFFAOYSA-N -1 0 328.412 3.521 20 0 EHADRM O=C([O-])CC1(CC(=O)NCc2cc(F)c(Cl)cc2F)CCCC1 ZINC000432517571 974092910 /nfs/dbraw/zinc/09/29/10/974092910.db2.gz HCSVJPFSYUJMTN-UHFFFAOYSA-N -1 0 345.773 3.660 20 0 EHADRM CCCn1c(=O)c2ccccc2nc1SCCC1(C(=O)[O-])CCC1 ZINC001603698604 974093501 /nfs/dbraw/zinc/09/35/01/974093501.db2.gz ISRSRDNOKJSLPW-UHFFFAOYSA-N -1 0 346.452 3.544 20 0 EHADRM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000439792085 974110279 /nfs/dbraw/zinc/11/02/79/974110279.db2.gz MDWIRHVSVOUELS-DYVFJYSZSA-N -1 0 327.380 3.900 20 0 EHADRM COc1ccccc1[C@@H]1CCCN(C(=O)[C@@H](C(=O)[O-])C(C)(C)C)CC1 ZINC001604883804 974137431 /nfs/dbraw/zinc/13/74/31/974137431.db2.gz NYBKRYDKRBLXTH-PBHICJAKSA-N -1 0 347.455 3.538 20 0 EHADRM Cc1ccccc1C[C@@H](C)N(C)C(=O)CCc1ccccc1C(=O)[O-] ZINC000450545379 974148702 /nfs/dbraw/zinc/14/87/02/974148702.db2.gz XGSJXQLBHZSUMM-MRXNPFEDSA-N -1 0 339.435 3.715 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)Nc1ncc(-c2ccccc2)s1 ZINC001605719547 974152066 /nfs/dbraw/zinc/15/20/66/974152066.db2.gz HCFPLWDFYZHFPW-UHFFFAOYSA-N -1 0 338.388 3.690 20 0 EHADRM C[C@H](NC(=O)c1sccc1C1CC1)c1ccc(OCC(=O)[O-])cc1 ZINC000455883959 974162234 /nfs/dbraw/zinc/16/22/34/974162234.db2.gz LPFVENRYCAVWPH-NSHDSACASA-N -1 0 345.420 3.580 20 0 EHADRM Cc1cccc([C@H](C)C(=O)N[C@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000455932040 974171996 /nfs/dbraw/zinc/17/19/96/974171996.db2.gz JCKVDDQZGSZYAM-FRQCXROJSA-N -1 0 339.435 3.547 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)/C=C\SCc2ccco2)cc1)C(=O)[O-] ZINC000493710217 974260231 /nfs/dbraw/zinc/26/02/31/974260231.db2.gz CDQFJGFPQWIVLK-CHOZFAJLSA-N -1 0 345.420 3.928 20 0 EHADRM CSc1ccccc1[C@@H](C)NC(=O)CCc1ccccc1C(=O)[O-] ZINC000515673095 974301269 /nfs/dbraw/zinc/30/12/69/974301269.db2.gz PDCHPWRBJYUBRE-CYBMUJFWSA-N -1 0 343.448 3.917 20 0 EHADRM COc1ccccc1-c1nc(CN2CCC(CC(=O)[O-])CC2)cs1 ZINC000519547919 974329611 /nfs/dbraw/zinc/32/96/11/974329611.db2.gz NMEHMFFOALXLFH-UHFFFAOYSA-N -1 0 346.452 3.505 20 0 EHADRM CCc1ccc([C@H]2CN([C@H](C(=O)[O-])c3ccc(F)cc3)CCO2)cc1 ZINC000519642634 974331649 /nfs/dbraw/zinc/33/16/49/974331649.db2.gz KSSUJVUEWPXNHY-MOPGFXCFSA-N -1 0 343.398 3.587 20 0 EHADRM Cc1oc(CN2C[C@H](c3cccc(Cl)c3)OC[C@@H]2C)cc1C(=O)[O-] ZINC000519713795 974333343 /nfs/dbraw/zinc/33/33/43/974333343.db2.gz YWTZCLVQOPUFDE-APPDUMDISA-N -1 0 349.814 3.902 20 0 EHADRM CC(C)Sc1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000533189134 974377264 /nfs/dbraw/zinc/37/72/64/974377264.db2.gz UQSNYIFCZZBVLS-UHFFFAOYSA-N -1 0 329.421 3.815 20 0 EHADRM CC(C)(C)c1ncsc1C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000537476579 974385628 /nfs/dbraw/zinc/38/56/28/974385628.db2.gz WSDBYJZROHKHHF-UHFFFAOYSA-N -1 0 338.473 3.596 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000538575093 974391066 /nfs/dbraw/zinc/39/10/66/974391066.db2.gz KMXLFZHBWXASNJ-UHFFFAOYSA-N -1 0 337.297 3.893 20 0 EHADRM CN(CCc1cccc2ccccc21)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000539677512 974399931 /nfs/dbraw/zinc/39/99/31/974399931.db2.gz CWTSAPIKVVUIBU-UHFFFAOYSA-N -1 0 347.414 3.782 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@H](C)Oc1ccc(Cl)cc1C ZINC000540713595 974406212 /nfs/dbraw/zinc/40/62/12/974406212.db2.gz AIUIXBLNZMTEMA-LBPRGKRZSA-N -1 0 341.835 3.565 20 0 EHADRM CCc1ccc2nc(NC(=O)Cc3ccccc3C(=O)[O-])sc2c1 ZINC001603975319 974466240 /nfs/dbraw/zinc/46/62/40/974466240.db2.gz GFHMLORVLNGPLL-UHFFFAOYSA-N -1 0 340.404 3.738 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC/C=C\c2ccc(F)cc2)c1OC ZINC000551422432 974476713 /nfs/dbraw/zinc/47/67/13/974476713.db2.gz BJARJMYVGZCYMF-ARJAWSKDSA-N -1 0 331.343 3.666 20 0 EHADRM C[C@@H](NC(=O)Cc1cccc(C(=O)[O-])c1)c1cccc2ccccc21 ZINC000554279885 974482801 /nfs/dbraw/zinc/48/28/01/974482801.db2.gz XZYFIAVRVDDBMI-CQSZACIVSA-N -1 0 333.387 3.958 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ncc(Cc3ccccc3)s2)cc1 ZINC000557654486 974492203 /nfs/dbraw/zinc/49/22/03/974492203.db2.gz KGKCKAJCLIELTJ-UHFFFAOYSA-N -1 0 338.388 3.684 20 0 EHADRM C[C@@H](CC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)C1CCCCC1 ZINC000558138670 974493186 /nfs/dbraw/zinc/49/31/86/974493186.db2.gz NPEFYMBVZZEOLN-MGPUTAFESA-N -1 0 331.456 3.752 20 0 EHADRM CCc1oc2ccccc2c1CN(C)C(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC001603997480 974500531 /nfs/dbraw/zinc/50/05/31/974500531.db2.gz FMFWYHQOJSZMFS-MRXNPFEDSA-N -1 0 331.412 3.701 20 0 EHADRM Cc1ccccc1C1(C(=O)Nc2cc(C(=O)[O-])ccc2F)CCC1 ZINC000563450450 974532477 /nfs/dbraw/zinc/53/24/77/974532477.db2.gz RTIJWUWNLNTNQY-UHFFFAOYSA-N -1 0 327.355 3.893 20 0 EHADRM CC(C)COc1cccc(CN[C@@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC000566239241 974600285 /nfs/dbraw/zinc/60/02/85/974600285.db2.gz OIEKFCSFKKGAAX-LBPRGKRZSA-N -1 0 334.441 3.727 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(NCC[C@H]3CCO[C@@H](C)C3)c12 ZINC000566291622 974603406 /nfs/dbraw/zinc/60/34/06/974603406.db2.gz QNECBVYRRGSQLO-CABZTGNLSA-N -1 0 349.456 3.623 20 0 EHADRM Cc1cc([C@H]2CN(Cc3ccc(C(=O)[O-])cc3F)CCO2)ccc1F ZINC000566803537 974621679 /nfs/dbraw/zinc/62/16/79/974621679.db2.gz XSACFKQFGRXFCA-GOSISDBHSA-N -1 0 347.361 3.545 20 0 EHADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1cccc(C2CC2)c1 ZINC000567406158 974633688 /nfs/dbraw/zinc/63/36/88/974633688.db2.gz FNFKWSWRVFGYQQ-LJQANCHMSA-N -1 0 337.419 3.770 20 0 EHADRM O=C([O-])c1ccc(Nc2cccc(CO)c2F)cc1C(F)(F)F ZINC001211487790 1014213635 /nfs/dbraw/zinc/21/36/35/1014213635.db2.gz PDAHWELGLLRXHX-UHFFFAOYSA-N -1 0 329.249 3.779 20 0 EHADRM Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)sc1-c1ccccc1 ZINC000571895022 974737880 /nfs/dbraw/zinc/73/78/80/974737880.db2.gz OVEXRRILHDSFSR-JSGCOSHPSA-N -1 0 329.421 3.659 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(NC[C@H]3CCC(F)(F)C3)c12 ZINC000572164280 974743087 /nfs/dbraw/zinc/74/30/87/974743087.db2.gz YQIKTLXHMLQZBD-VIFPVBQESA-N -1 0 341.383 3.854 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1C ZINC000107962933 1014215612 /nfs/dbraw/zinc/21/56/12/1014215612.db2.gz BEUUJHAXAXTIJX-QKFKETGDSA-N -1 0 349.883 3.942 20 0 EHADRM Cc1oc(-c2ccccc2)c(C(=O)NC[C@@H](CC2CC2)C(=O)[O-])c1C ZINC000574762006 974788579 /nfs/dbraw/zinc/78/85/79/974788579.db2.gz SOZCUBAJTLBZNC-MRXNPFEDSA-N -1 0 341.407 3.794 20 0 EHADRM C[C@H](CN(Cc1ncc(C(C)(C)C)o1)Cc1ccccc1)C(=O)[O-] ZINC000581553784 974912370 /nfs/dbraw/zinc/91/23/70/974912370.db2.gz FWWKYMLZHSEGQB-CQSZACIVSA-N -1 0 330.428 3.695 20 0 EHADRM CO[C@@H]1CCOc2c(NC(=O)CC3(CC(=O)[O-])CCCC3)cccc21 ZINC000582765261 974931563 /nfs/dbraw/zinc/93/15/63/974931563.db2.gz AKLXAHMTZMXCGS-OAHLLOKOSA-N -1 0 347.411 3.520 20 0 EHADRM CCC[C@H]1CN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)CCO1 ZINC000583327299 974939728 /nfs/dbraw/zinc/93/97/28/974939728.db2.gz IKDKYRMDNPFXBJ-INIZCTEOSA-N -1 0 346.452 3.509 20 0 EHADRM CCCC[C@H](Sc1nc(-c2ccncc2)nc(C)c1C)C(=O)[O-] ZINC000583575613 974942941 /nfs/dbraw/zinc/94/29/41/974942941.db2.gz MLIKKSMPVFCVMG-AWEZNQCLSA-N -1 0 331.441 3.891 20 0 EHADRM COc1ccc(NC(=O)CCc2ccc(Cl)s2)c(C(=O)[O-])c1 ZINC000584492871 974955992 /nfs/dbraw/zinc/95/59/92/974955992.db2.gz WOUMBXORVQIWBI-UHFFFAOYSA-N -1 0 339.800 3.680 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cccc(C2CC2)c1)c1ccc(F)cc1 ZINC000584790686 974959038 /nfs/dbraw/zinc/95/90/38/974959038.db2.gz SLOCIGOALQXASC-QGZVFWFLSA-N -1 0 327.355 3.649 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)N2CCc3c(cccc3C(=O)[O-])C2)C1(C)C ZINC000621579166 975039851 /nfs/dbraw/zinc/03/98/51/975039851.db2.gz YRTZZCKZJPZWPB-SJORKVTESA-N -1 0 327.424 3.508 20 0 EHADRM CC(C)[C@@H](CC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC000621610409 975059129 /nfs/dbraw/zinc/05/91/29/975059129.db2.gz IUFWIGKDLCRIFL-GXTWGEPZSA-N -1 0 346.452 3.848 20 0 EHADRM O=C([O-])CCCCCNC(=O)NCc1ccc(-c2ccccc2)s1 ZINC000626766780 975070413 /nfs/dbraw/zinc/07/04/13/975070413.db2.gz QXLBTICHNIFXHJ-UHFFFAOYSA-N -1 0 346.452 3.859 20 0 EHADRM Cc1cc(C(=O)N2CCC(Cc3cccc(F)c3)CC2)oc1C(=O)[O-] ZINC000630110459 975104678 /nfs/dbraw/zinc/10/46/78/975104678.db2.gz CZFFOAHVTFJNDT-UHFFFAOYSA-N -1 0 345.370 3.520 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)[C@H]1Cc2ccc(Cl)cc21)c1ccccc1 ZINC000630126277 975112140 /nfs/dbraw/zinc/11/21/40/975112140.db2.gz FZTGDEYMBDZCFK-DLBZAZTESA-N -1 0 343.810 3.702 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)c1 ZINC000630144902 975128385 /nfs/dbraw/zinc/12/83/85/975128385.db2.gz SLRBKXMFGKIVAN-IRXDYDNUSA-N -1 0 327.355 3.585 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@H](C)Cc1cncc2ccccc21 ZINC000630148140 975129466 /nfs/dbraw/zinc/12/94/66/975129466.db2.gz LMLVTFOKEGPZRC-CQSZACIVSA-N -1 0 342.439 3.563 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)Cc2ccccc21 ZINC000630155975 975132942 /nfs/dbraw/zinc/13/29/42/975132942.db2.gz KHPXKKTWLKRCKR-MBOZVWFJSA-N -1 0 349.430 3.781 20 0 EHADRM Cc1ccc2occ(CC(=O)N3CCC[C@H](C(C)(C)C(=O)[O-])C3)c2c1 ZINC000630157592 975134247 /nfs/dbraw/zinc/13/42/47/975134247.db2.gz OEVIUTPCUNNIEU-HNNXBMFYSA-N -1 0 343.423 3.633 20 0 EHADRM Cc1cc(C(=O)N2CCC(c3ccc(Cl)cc3)CC2)oc1C(=O)[O-] ZINC000630181711 975145451 /nfs/dbraw/zinc/14/54/51/975145451.db2.gz NDDHCPDYKTYEPQ-UHFFFAOYSA-N -1 0 347.798 3.959 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc3c(ccc4ccccc34)o2)[C@H](C(=O)[O-])C1 ZINC000630187077 975147654 /nfs/dbraw/zinc/14/76/54/975147654.db2.gz HYXCMUZJPMEZIX-WBMJQRKESA-N -1 0 337.375 3.911 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)CCc1ccc(C(F)F)cc1)C(=O)[O-] ZINC000630201418 975157798 /nfs/dbraw/zinc/15/77/98/975157798.db2.gz TXSMYZWBGAMSEK-RISCZKNCSA-N -1 0 327.371 3.562 20 0 EHADRM CCC[C@@H](C(=O)NCc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC000630231677 975179308 /nfs/dbraw/zinc/17/93/08/975179308.db2.gz BBIQJWXVZJUICD-GOSISDBHSA-N -1 0 325.408 3.514 20 0 EHADRM CC1=CC[C@](C)(C(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)CC1 ZINC000630241406 975186168 /nfs/dbraw/zinc/18/61/68/975186168.db2.gz MHDPAJHEHYLEEF-IBGZPJMESA-N -1 0 331.387 3.545 20 0 EHADRM CC(C)CCO[C@H]1CC[C@H](NC(=O)c2ccc(C(=O)[O-])s2)CC1 ZINC000630262607 975206035 /nfs/dbraw/zinc/20/60/35/975206035.db2.gz FOFQJTAHLLAPCA-JOCQHMNTSA-N -1 0 339.457 3.550 20 0 EHADRM CSc1ccc(C)c(C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)c1 ZINC000630264455 975207767 /nfs/dbraw/zinc/20/77/67/975207767.db2.gz GFCBKNHPZCXAOW-MRXNPFEDSA-N -1 0 335.469 3.728 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N3CC[C@H](C(=O)[O-])[C@@H]4CCC[C@H]43)cc2c1C ZINC000630279716 975224709 /nfs/dbraw/zinc/22/47/09/975224709.db2.gz KIOVBWFNLAPVAI-SUNYJGFJSA-N -1 0 340.423 3.500 20 0 EHADRM Cc1ccc2c(C(=O)N3CC[C@H](C(=O)[O-])[C@H]4CCC[C@H]43)csc2c1 ZINC000630284923 975229510 /nfs/dbraw/zinc/22/95/10/975229510.db2.gz ORRNVJCARWNKLA-IVMMDQJWSA-N -1 0 343.448 3.925 20 0 EHADRM Cc1ccc(C(C)(C)CNC(=O)c2cccc(CC(=O)[O-])c2)c(C)c1 ZINC000630295159 975234935 /nfs/dbraw/zinc/23/49/35/975234935.db2.gz RDTCQRRHUJWGNZ-UHFFFAOYSA-N -1 0 339.435 3.638 20 0 EHADRM CSc1ccccc1CN(C)C(=O)CCc1ccccc1C(=O)[O-] ZINC000630296051 975235707 /nfs/dbraw/zinc/23/57/07/975235707.db2.gz QSSGWXJLPODPRS-UHFFFAOYSA-N -1 0 343.448 3.698 20 0 EHADRM COc1ccc(N(CCC(C)C)C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC000630295883 975235757 /nfs/dbraw/zinc/23/57/57/975235757.db2.gz VWVGEJRDTSDMMG-WKILWMFISA-N -1 0 347.455 3.965 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N(C)[C@@H]1CCC(C)(C)C1)C(=O)[O-] ZINC000630302667 975240206 /nfs/dbraw/zinc/24/02/06/975240206.db2.gz GVVTULAPXCFNGI-QWHCGFSZSA-N -1 0 335.469 3.903 20 0 EHADRM Cc1cc(C(=O)N2C3CCC2(C(=O)[O-])CC3)sc1-c1ccccc1 ZINC000630323217 975251554 /nfs/dbraw/zinc/25/15/54/975251554.db2.gz XKLDJCMVQHHZQI-UHFFFAOYSA-N -1 0 341.432 3.945 20 0 EHADRM O=C([O-])C12CCC(CC1)N2C(=O)CCCc1csc2ccccc12 ZINC000630324201 975252102 /nfs/dbraw/zinc/25/21/02/975252102.db2.gz KSCXVGHARRVQEU-UHFFFAOYSA-N -1 0 343.448 3.832 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)Nc1c(C)nn(CCC(=O)[O-])c1C ZINC000630332073 975259993 /nfs/dbraw/zinc/25/99/93/975259993.db2.gz CIAMVVJWVIWQHE-HNNXBMFYSA-N -1 0 335.448 3.520 20 0 EHADRM C[C@@H](NCc1csc(C(F)(F)F)c1)c1ncc(C(=O)[O-])s1 ZINC000630461688 975265726 /nfs/dbraw/zinc/26/57/26/975265726.db2.gz HGACIWCEEGKJJF-ZCFIWIBFSA-N -1 0 336.360 3.772 20 0 EHADRM COc1cc(F)cc(OC)c1CNc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000630458765 975265827 /nfs/dbraw/zinc/26/58/27/975265827.db2.gz FGEUNFBFOFQGKE-LBPRGKRZSA-N -1 0 347.386 3.718 20 0 EHADRM CCCCOc1ccc(NC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c(C)c1 ZINC000630561692 975268038 /nfs/dbraw/zinc/26/80/38/975268038.db2.gz LHXQOATXCUBZML-GOEBONIOSA-N -1 0 348.443 3.748 20 0 EHADRM COCc1cc(NC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)cc(C(=O)[O-])c1 ZINC000644631777 975326860 /nfs/dbraw/zinc/32/68/60/975326860.db2.gz RSFQMSFAXPBYNO-HOTGVXAUSA-N -1 0 331.412 3.708 20 0 EHADRM CCCc1ccc(CCCC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000649240143 975384423 /nfs/dbraw/zinc/38/44/23/975384423.db2.gz GILAFVMQNYXVFI-SFHVURJKSA-N -1 0 343.467 3.675 20 0 EHADRM C[C@@H](CC(=O)N1CCc2cccc(C(=O)[O-])c2C1)c1cccc(F)c1 ZINC000649258216 975399361 /nfs/dbraw/zinc/39/93/61/975399361.db2.gz LLBDDIOSHITJCE-ZDUSSCGKSA-N -1 0 341.382 3.602 20 0 EHADRM C[C@H](C(=O)N1CCc2cccc(C(=O)[O-])c2C1)c1cccc(Cl)c1 ZINC000649258316 975399952 /nfs/dbraw/zinc/39/99/52/975399952.db2.gz OQSIYHLGARZKIN-LBPRGKRZSA-N -1 0 343.810 3.727 20 0 EHADRM O=C([O-])c1ccccc1-c1ccccc1C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000649265480 975406257 /nfs/dbraw/zinc/40/62/57/975406257.db2.gz DJLVKFMJBSBCKZ-SOUVJXGZSA-N -1 0 335.403 3.970 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)[C@H]2C[C@H]2C2CCCC2)cc1 ZINC000652062368 975463762 /nfs/dbraw/zinc/46/37/62/975463762.db2.gz HLDYEAMFBRVVNV-IRXDYDNUSA-N -1 0 331.412 3.695 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC000652066449 975464724 /nfs/dbraw/zinc/46/47/24/975464724.db2.gz KQMIKKGLSQPGQL-ZWKOTPCHSA-N -1 0 329.440 3.706 20 0 EHADRM C[C@H](C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000652065106 975465367 /nfs/dbraw/zinc/46/53/67/975465367.db2.gz MFEHLEWBQPTGOE-YVEFUNNKSA-N -1 0 343.810 3.654 20 0 EHADRM CC(C)O[C@@H](C(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccccc1 ZINC001591686059 975489391 /nfs/dbraw/zinc/48/93/91/975489391.db2.gz GZVFVGYANGNAHR-LJQANCHMSA-N -1 0 341.407 3.809 20 0 EHADRM Cc1ccc(C)c(OC2CCN(Cc3nc(C(=O)[O-])cs3)CC2)c1 ZINC000652400847 975522998 /nfs/dbraw/zinc/52/29/98/975522998.db2.gz WJZCMNKVJKDZLD-UHFFFAOYSA-N -1 0 346.452 3.502 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)c2n[nH]cc21 ZINC000460834766 1032089741 /nfs/dbraw/zinc/08/97/41/1032089741.db2.gz YUBWOOLZVPZGGA-UHFFFAOYSA-N -1 0 343.452 3.970 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000655550305 975628408 /nfs/dbraw/zinc/62/84/08/975628408.db2.gz PUKJFNHKRLOWST-UHFFFAOYSA-N -1 0 330.211 3.523 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000656233008 975648766 /nfs/dbraw/zinc/64/87/66/975648766.db2.gz KSVGGIZFEVOMPT-YJYMSZOUSA-N -1 0 329.371 3.532 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000656852230 975706808 /nfs/dbraw/zinc/70/68/08/975706808.db2.gz WXNFSBLTOFDHBF-ZFWWWQNUSA-N -1 0 343.354 3.665 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)CC2(C)CCCCC2)cc1 ZINC000659117582 975713032 /nfs/dbraw/zinc/71/30/32/975713032.db2.gz IAPNZDOUYALYMG-MRXNPFEDSA-N -1 0 333.428 3.688 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C2CC3(C2)CCCCC3)Cc2ccccc21 ZINC000659142560 975742073 /nfs/dbraw/zinc/74/20/73/975742073.db2.gz FAGKSHNDQAVNAW-QGZVFWFLSA-N -1 0 327.424 3.558 20 0 EHADRM CCC1(C(=O)Nc2ccc(OCC(=O)[O-])cc2)CCC(F)(F)CC1 ZINC000659144965 975744315 /nfs/dbraw/zinc/74/43/15/975744315.db2.gz LGFQZJURFQYQDV-UHFFFAOYSA-N -1 0 341.354 3.694 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1)C(=O)[O-] ZINC000659145863 975745863 /nfs/dbraw/zinc/74/58/63/975745863.db2.gz CRBJCSGDBDPJMR-QWHCGFSZSA-N -1 0 339.391 3.526 20 0 EHADRM C[C@@H](NC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21)c1ccc(OCC(=O)[O-])cc1 ZINC000659155448 975755512 /nfs/dbraw/zinc/75/55/12/975755512.db2.gz COLUMGNWLKFEER-WKCGWZECSA-N -1 0 345.439 3.544 20 0 EHADRM CCC[C@H](C(=O)NCCC(C)(C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000659157587 975756866 /nfs/dbraw/zinc/75/68/66/975756866.db2.gz WCDQSOSWNOTOCO-AWEZNQCLSA-N -1 0 325.836 3.841 20 0 EHADRM CC(C)Oc1c(NC(=O)NCCCC(C)(F)F)cccc1C(=O)[O-] ZINC001591747528 975793216 /nfs/dbraw/zinc/79/32/16/975793216.db2.gz QUIUUBXMIOQRTP-UHFFFAOYSA-N -1 0 344.358 3.729 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000659195060 975797084 /nfs/dbraw/zinc/79/70/84/975797084.db2.gz OGVRCHNEVDAURH-YSHGAJCASA-N -1 0 343.467 3.981 20 0 EHADRM O=C([O-])C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21)C1CC1 ZINC000659207837 975817676 /nfs/dbraw/zinc/81/76/76/975817676.db2.gz CYPAWUJPVGDKOD-AYOQOUSVSA-N -1 0 337.419 3.560 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC000659208266 975818457 /nfs/dbraw/zinc/81/84/57/975818457.db2.gz FTMKDDYKDSYIQR-HNNXBMFYSA-N -1 0 347.480 3.976 20 0 EHADRM C[C@H](C(=O)NC[C@H](CC(=O)[O-])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000659210436 975822263 /nfs/dbraw/zinc/82/22/63/975822263.db2.gz TWWGJSBSIBDWGK-CABZTGNLSA-N -1 0 344.238 3.714 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CCC[C@H](C)[C@H]1C ZINC001591763210 975865355 /nfs/dbraw/zinc/86/53/55/975865355.db2.gz JDGGQYILXUAUOS-QWHCGFSZSA-N -1 0 334.416 3.824 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NC[C@H](C)C(C)(C)C ZINC001591767789 975882598 /nfs/dbraw/zinc/88/25/98/975882598.db2.gz QPQKIGACPFIGIS-LBPRGKRZSA-N -1 0 336.432 3.976 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)Cc2ccccc21 ZINC000663135794 975933049 /nfs/dbraw/zinc/93/30/49/975933049.db2.gz UVCKLFDLXMWCHF-RGIVZKHGSA-N -1 0 341.451 3.804 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)cc1 ZINC000666365035 975960705 /nfs/dbraw/zinc/96/07/05/975960705.db2.gz ZWYWJAUDPRCQRO-OAHLLOKOSA-N -1 0 341.407 3.981 20 0 EHADRM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCCCC(=O)[O-] ZINC000666558526 975972070 /nfs/dbraw/zinc/97/20/70/975972070.db2.gz QEUBZCMYVHJBSS-IRXDYDNUSA-N -1 0 332.444 3.609 20 0 EHADRM CC(C)Oc1ccc(NC(=O)c2csc(C3CC3)n2)c(C(=O)[O-])c1 ZINC001591788414 975972893 /nfs/dbraw/zinc/97/28/93/975972893.db2.gz HQBGYTVYXXMSKS-UHFFFAOYSA-N -1 0 346.408 3.758 20 0 EHADRM CO[C@H]1CCC[C@@H](CC(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)C1 ZINC000668269600 975978332 /nfs/dbraw/zinc/97/83/32/975978332.db2.gz NWWBBXIKYGNUNB-HIFRSBDPSA-N -1 0 349.427 3.706 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)Cc1cccc(C2CC2)c1)c1cccs1 ZINC000668267404 975978372 /nfs/dbraw/zinc/97/83/72/975978372.db2.gz MYFZGKMGKGOXGI-OAHLLOKOSA-N -1 0 329.421 3.500 20 0 EHADRM Cc1oc(CN(C)C(=O)c2coc3cc(C)c(C)cc23)cc1C(=O)[O-] ZINC000668273288 975981172 /nfs/dbraw/zinc/98/11/72/975981172.db2.gz YLJFFGWIKPPFOX-UHFFFAOYSA-N -1 0 341.363 3.921 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)C[C@@H]2CCc3ccccc3C2)c2ccccc21 ZINC000669436002 976003648 /nfs/dbraw/zinc/00/36/48/976003648.db2.gz WKTWTJIHQRIPOJ-DNVCBOLYSA-N -1 0 349.430 3.787 20 0 EHADRM CC(C)(CC(=O)N(CCC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC000675947660 976018603 /nfs/dbraw/zinc/01/86/03/976018603.db2.gz ZDASIGPKDJHZAE-UHFFFAOYSA-N -1 0 339.435 3.858 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000675948969 976019394 /nfs/dbraw/zinc/01/93/94/976019394.db2.gz YFXNLNMFPOWMIA-MRXNPFEDSA-N -1 0 347.798 3.603 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])C1(C)C ZINC000675998290 976025779 /nfs/dbraw/zinc/02/57/79/976025779.db2.gz HGHRKWOMJXBTAT-RKTXRCNFSA-N -1 0 329.440 3.803 20 0 EHADRM CCC[C@@H](C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC000679105651 976047024 /nfs/dbraw/zinc/04/70/24/976047024.db2.gz ROBPOAOBDCFKAK-DLBZAZTESA-N -1 0 331.456 3.920 20 0 EHADRM O=C([O-])c1coc(C(=O)NCCc2ccc(-c3ccccc3)cc2)c1 ZINC000683339362 976090770 /nfs/dbraw/zinc/09/07/70/976090770.db2.gz FNRKMCINUMVSSG-UHFFFAOYSA-N -1 0 335.359 3.617 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)cc2)oc1C ZINC000684771210 976092151 /nfs/dbraw/zinc/09/21/51/976092151.db2.gz KUYFMNKVGKSNSL-CTYIDZIISA-N -1 0 342.395 3.788 20 0 EHADRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])c1cccs1)c1ccc(OC)cc1 ZINC000685018614 976093286 /nfs/dbraw/zinc/09/32/86/976093286.db2.gz JKWRILQYXZAXLY-GJZGRUSLSA-N -1 0 347.436 3.583 20 0 EHADRM CC(C)Sc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(O)c2)cc1 ZINC001591829639 976094075 /nfs/dbraw/zinc/09/40/75/976094075.db2.gz UPLWOKANHQAFFQ-UHFFFAOYSA-N -1 0 331.393 3.843 20 0 EHADRM CC(C)c1[nH]c(CN2CCCC[C@@H]2c2cccn2C)cc1C(=O)[O-] ZINC001591912151 976338242 /nfs/dbraw/zinc/33/82/42/976338242.db2.gz FDARQUJLSBIQBT-QGZVFWFLSA-N -1 0 329.444 3.902 20 0 EHADRM CC(C)c1cc(C(=O)N(c2ccccc2C(=O)[O-])C2CCC2)no1 ZINC001591926377 976415510 /nfs/dbraw/zinc/41/55/10/976415510.db2.gz RJSHAWQGIOBJRT-UHFFFAOYSA-N -1 0 328.368 3.696 20 0 EHADRM CC(C)c1cc(C(=O)NC[C@@H](CC2CC2)C(=O)[O-])c2ccccc2n1 ZINC001591930532 976420222 /nfs/dbraw/zinc/42/02/22/976420222.db2.gz KQMUOEVQAPROOT-CQSZACIVSA-N -1 0 340.423 3.589 20 0 EHADRM CC(C)c1cc(C(=O)NC[C@@H](CC2CC2)C(=O)[O-])c(O)c(C(C)C)c1 ZINC001591930683 976423051 /nfs/dbraw/zinc/42/30/51/976423051.db2.gz XEVFRHGLAUXBQP-OAHLLOKOSA-N -1 0 347.455 3.870 20 0 EHADRM CC(C)c1cc(NC(=O)c2cccc(C(=O)[O-])c2)n(-c2ccccc2)n1 ZINC001591936417 976459612 /nfs/dbraw/zinc/45/96/12/976459612.db2.gz XLGNJITYTZYOPJ-UHFFFAOYSA-N -1 0 349.390 3.946 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@](C)(C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001591941685 976461279 /nfs/dbraw/zinc/46/12/79/976461279.db2.gz BVFBEZIOWFLXDW-IBGZPJMESA-N -1 0 329.371 3.679 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])cc1 ZINC001591948167 976498037 /nfs/dbraw/zinc/49/80/37/976498037.db2.gz CHOQHFRZFFPSRF-OXYWZLMZSA-N -1 0 327.424 3.679 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])cc1 ZINC001591948989 976503042 /nfs/dbraw/zinc/50/30/42/976503042.db2.gz OFKLMKFZAQGCKW-LOTMPPQKSA-N -1 0 329.440 3.973 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)NCc2ccc(C(=O)[O-])nc2)cc1 ZINC001591949350 976506761 /nfs/dbraw/zinc/50/67/61/976506761.db2.gz VLDSHQDBFPJPHV-ONEGZZNKSA-N -1 0 338.407 3.623 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)OCc2oncc2C(=O)[O-])cc1 ZINC001591949608 976508457 /nfs/dbraw/zinc/50/84/57/976508457.db2.gz XJVGEFCRGWCJEF-GFCCVEGCSA-N -1 0 331.368 3.733 20 0 EHADRM CC(C)c1ccc(CCCNC(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC001591952627 976512260 /nfs/dbraw/zinc/51/22/60/976512260.db2.gz JBHFJEBQRRCPEN-UHFFFAOYSA-N -1 0 339.435 3.800 20 0 EHADRM CC(C)c1ccc(NC(=O)CNc2cc(F)c(C(=O)[O-])c(F)c2)cc1 ZINC001591965873 976560773 /nfs/dbraw/zinc/56/07/73/976560773.db2.gz SVHGSJWTDBUCJS-UHFFFAOYSA-N -1 0 348.349 3.837 20 0 EHADRM CC(C)c1ccc(SCC(=O)Nc2cccc(CC(=O)[O-])n2)cc1 ZINC001591973488 976576362 /nfs/dbraw/zinc/57/63/62/976576362.db2.gz BCMGAJHDNOQEQV-UHFFFAOYSA-N -1 0 344.436 3.563 20 0 EHADRM CC(C)c1ccc(OCCC(=O)N[C@@H](C(=O)[O-])c2cccs2)cc1 ZINC001591973618 976579254 /nfs/dbraw/zinc/57/92/54/976579254.db2.gz DSLINSZKGYRAQU-QGZVFWFLSA-N -1 0 347.436 3.583 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)CC2 ZINC001591974506 976590248 /nfs/dbraw/zinc/59/02/48/976590248.db2.gz WQYOWWJSQJCHKE-JEZWAEDTSA-N -1 0 339.391 3.918 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C)CCC2 ZINC001591981165 976596235 /nfs/dbraw/zinc/59/62/35/976596235.db2.gz QEKZQQHPUZNZLR-OWQGQXMQSA-N -1 0 344.455 3.692 20 0 EHADRM CC(C)c1cccc(C(=O)N[C@@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC001591982723 976600358 /nfs/dbraw/zinc/60/03/58/976600358.db2.gz CAWCCVMGZMTKEW-HNAYVOBHSA-N -1 0 339.435 3.872 20 0 EHADRM CC(C)c1cccc(C[S@@](=O)CCc2ccccc2C(=O)[O-])c1 ZINC001591992218 976622405 /nfs/dbraw/zinc/62/24/05/976622405.db2.gz RRLKVZHXFHIWNQ-QHCPKHFHSA-N -1 0 330.449 4.000 20 0 EHADRM CC(C)c1nc(NC(=O)C[C@H]2CCC(F)(F)C2)sc1C(=O)[O-] ZINC001592022582 976720462 /nfs/dbraw/zinc/72/04/62/976720462.db2.gz QGBZNGDYWQHATL-MRVPVSSYSA-N -1 0 332.372 3.729 20 0 EHADRM CC(C)c1nccc(N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)n1 ZINC001592037177 976753221 /nfs/dbraw/zinc/75/32/21/976753221.db2.gz DZNIKJKWFGKUFO-LSDHHAIUSA-N -1 0 345.830 3.558 20 0 EHADRM CC(C)c1nnc(COc2c(Cl)cccc2CCC(=O)[O-])s1 ZINC001592060369 976803505 /nfs/dbraw/zinc/80/35/05/976803505.db2.gz DJQNFWWRBPHYQU-UHFFFAOYSA-N -1 0 340.832 3.911 20 0 EHADRM CC(C)c1ocnc1C(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-] ZINC001592102811 976874695 /nfs/dbraw/zinc/87/46/95/976874695.db2.gz VRSJXVPOIVQCPX-UHFFFAOYSA-N -1 0 326.711 3.541 20 0 EHADRM O=S(=O)([N-]c1cc(F)ccc1O)c1cc(Cl)sc1Cl ZINC000085203602 1031714265 /nfs/dbraw/zinc/71/42/65/1031714265.db2.gz UNTPSOBHKFLURS-UHFFFAOYSA-N -1 0 342.200 3.700 20 0 EHADRM CC(C)n1cc(NC(=O)Nc2ccc(C(=O)[O-])c3ccccc23)cn1 ZINC001592132019 976972162 /nfs/dbraw/zinc/97/21/62/976972162.db2.gz VJRABWGPHKEQIZ-UHFFFAOYSA-N -1 0 338.367 3.959 20 0 EHADRM CC(C)n1cnc(C(=O)OCc2c3ccccc3sc2C(=O)[O-])c1 ZINC001592145104 977000457 /nfs/dbraw/zinc/00/04/57/977000457.db2.gz ZINVMDRVWCZXGP-UHFFFAOYSA-N -1 0 344.392 3.734 20 0 EHADRM C[C@@H](C1CC1)n1nccc1NCc1ccnc2c(C(=O)[O-])cccc12 ZINC001592181318 977102849 /nfs/dbraw/zinc/10/28/49/977102849.db2.gz KAVFANHNXBYXOD-LBPRGKRZSA-N -1 0 336.395 3.713 20 0 EHADRM CC(C)Cc1nc(C#N)c([N-]N=C2c3cc(Cl)ccc3NC2=O)o1 ZINC000063555732 1014372738 /nfs/dbraw/zinc/37/27/38/1014372738.db2.gz FMTXXQQVLWYZQO-UHFFFAOYSA-N -1 0 343.774 3.816 20 0 EHADRM C[C@@H](CC(=O)N1CCCc2c(C(=O)[O-])cccc21)c1ccc(F)cc1 ZINC001592236421 977445524 /nfs/dbraw/zinc/44/55/24/977445524.db2.gz PJQABTQSUDXFPB-ZDUSSCGKSA-N -1 0 341.382 3.997 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(C(=O)[O-])c(O)c1)c1ccc(F)cc1F ZINC001592261429 977502358 /nfs/dbraw/zinc/50/23/58/977502358.db2.gz CAIDLDLKNRTVBA-SECBINFHSA-N -1 0 335.306 3.501 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(C(=O)[O-])s1)c1ccc(F)cc1F ZINC001592266994 977509943 /nfs/dbraw/zinc/50/99/43/977509943.db2.gz ANBYDLBPAANIJN-QMMMGPOBSA-N -1 0 325.336 3.857 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)Nc1ccc(-c2ccccn2)cc1)C1CC1 ZINC001592289888 977608653 /nfs/dbraw/zinc/60/86/53/977608653.db2.gz JNWJMJUCMYJNDS-LJQANCHMSA-N -1 0 339.395 3.514 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N(CCCc1ccccc1)c1ccccc1 ZINC001592336517 977786776 /nfs/dbraw/zinc/78/67/76/977786776.db2.gz MWKYOUADCZVRNV-INIZCTEOSA-N -1 0 325.408 3.763 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N[C@@H](C)c1ccc(-c2ccc(F)cc2)cc1 ZINC001592344203 977797923 /nfs/dbraw/zinc/79/79/23/977797923.db2.gz AASJPHHPHVOGTF-OLZOCXBDSA-N -1 0 329.371 3.781 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)O[C@@H](C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC001592395696 977955171 /nfs/dbraw/zinc/95/51/71/977955171.db2.gz MZGMKOMYUYKJCS-STQMWFEESA-N -1 0 334.412 3.599 20 0 EHADRM C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)C3(C(=O)[O-])CCC3)c2)C1 ZINC000654821182 1014447950 /nfs/dbraw/zinc/44/79/50/1014447950.db2.gz QWAWNUDBEDQGNC-PBHICJAKSA-N -1 0 345.439 3.975 20 0 EHADRM C[C@@H](CC(=O)[O-])c1nc([C@@H](C)c2ccc(Br)cc2)no1 ZINC001592424472 978046448 /nfs/dbraw/zinc/04/64/48/978046448.db2.gz SOYGBJMCFYDFOZ-IUCAKERBSA-N -1 0 339.189 3.562 20 0 EHADRM C[C@@H](CC(F)(F)F)C(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-] ZINC001592452495 978144575 /nfs/dbraw/zinc/14/45/75/978144575.db2.gz LKTYFVUIYJKWOD-YFKPBYRVSA-N -1 0 327.661 3.704 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CCC(C(F)(F)F)CC1 ZINC000654845146 1014473011 /nfs/dbraw/zinc/47/30/11/1014473011.db2.gz BBKKCXWEPTUMRG-UHFFFAOYSA-N -1 0 341.251 3.826 20 0 EHADRM C[C@@H](OC(=O)c1cc(Cl)nc(Cl)c1)c1ccc(C(=O)[O-])o1 ZINC000736692761 978349048 /nfs/dbraw/zinc/34/90/48/978349048.db2.gz XDUXGHNIFYUHEN-ZCFIWIBFSA-N -1 0 330.123 3.598 20 0 EHADRM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCCN(C)C(=O)[O-] ZINC000736719551 978352629 /nfs/dbraw/zinc/35/26/29/978352629.db2.gz WWROKAZGYZTYJN-SNVBAGLBSA-N -1 0 347.242 3.903 20 0 EHADRM C[C@H](CCNC(=O)NCc1ccc(CC(=O)[O-])cc1)CC(C)(C)C ZINC001592519604 978363714 /nfs/dbraw/zinc/36/37/14/978363714.db2.gz AJSCUBPXOAROMJ-CQSZACIVSA-N -1 0 334.460 3.575 20 0 EHADRM CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000736904887 978365539 /nfs/dbraw/zinc/36/55/39/978365539.db2.gz DQYLIXZXHPIRDU-HNNXBMFYSA-N -1 0 341.411 3.944 20 0 EHADRM CCC[C@@](C)(NC(=O)[C@H](C)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000736953773 978369350 /nfs/dbraw/zinc/36/93/50/978369350.db2.gz DDRAHPQYXILGDW-RFAUZJTJSA-N -1 0 332.227 3.857 20 0 EHADRM C[C@@H](CN(C)C(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)[O-] ZINC001592574011 978467754 /nfs/dbraw/zinc/46/77/54/978467754.db2.gz ANVTWHPSXPAIGW-LBPRGKRZSA-N -1 0 349.471 3.780 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)CCOc1cc(C)cc(C)c1C ZINC000738356335 978522809 /nfs/dbraw/zinc/52/28/09/978522809.db2.gz XRXUSTPDYJEYTH-UHFFFAOYSA-N -1 0 346.379 3.724 20 0 EHADRM O=C([O-])[C@@H](Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 ZINC000739514286 978643465 /nfs/dbraw/zinc/64/34/65/978643465.db2.gz WLCVBIYEBYCYAY-ZDUSSCGKSA-N -1 0 329.249 3.962 20 0 EHADRM O=C([O-])[C@H](Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 ZINC000739514285 978643510 /nfs/dbraw/zinc/64/35/10/978643510.db2.gz WLCVBIYEBYCYAY-CYBMUJFWSA-N -1 0 329.249 3.962 20 0 EHADRM Cc1c(C(=O)Nc2cc(F)cc(Cl)c2[O-])cnn1C(C)(C)C ZINC000274673319 1014519434 /nfs/dbraw/zinc/51/94/34/1014519434.db2.gz IJRDRAPYBQAVEI-UHFFFAOYSA-N -1 0 325.771 3.697 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000761617823 978711868 /nfs/dbraw/zinc/71/18/68/978711868.db2.gz FJJUVKFZIBMZTQ-GUYCJALGSA-N -1 0 345.826 3.803 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)ccc1F ZINC000767095078 978734312 /nfs/dbraw/zinc/73/43/12/978734312.db2.gz DEEJFKOJLXOKHF-STQMWFEESA-N -1 0 333.746 3.920 20 0 EHADRM CN(C(=O)Cc1cccc(C(=O)[O-])c1)c1ccc(C(C)(C)C)cc1 ZINC000777360170 978776262 /nfs/dbraw/zinc/77/62/62/978776262.db2.gz XDVCJQMNBMCVBY-UHFFFAOYSA-N -1 0 325.408 3.888 20 0 EHADRM CCN(c1ccc(C)cc1)S(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000471115782 1014523569 /nfs/dbraw/zinc/52/35/69/1014523569.db2.gz XMNGNFMXVMZKAB-UHFFFAOYSA-N -1 0 347.436 3.525 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000786621362 978795097 /nfs/dbraw/zinc/79/50/97/978795097.db2.gz SMCLXOZHBDYGCI-ACCUITESSA-N -1 0 327.355 3.885 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC/C=C\c2ccc(F)cc2F)c1OC ZINC000789903055 978798781 /nfs/dbraw/zinc/79/87/81/978798781.db2.gz TYHQBHQIWCJULE-ARJAWSKDSA-N -1 0 349.333 3.806 20 0 EHADRM Cc1sc(C(=O)NCCCCCCC(=O)[O-])cc1Br ZINC000818293749 978907843 /nfs/dbraw/zinc/90/78/43/978907843.db2.gz DZSOSTDMFUMXCL-UHFFFAOYSA-N -1 0 348.262 3.584 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(CC(=O)[O-])cc1)[C@H](C)c1ccccc1 ZINC000827672284 978963271 /nfs/dbraw/zinc/96/32/71/978963271.db2.gz SBYHLQXVXHIPEA-UONOGXRCSA-N -1 0 326.396 3.627 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(CC(=O)[O-])cc1)[C@@H](C)c1ccccc1 ZINC000827672283 978963450 /nfs/dbraw/zinc/96/34/50/978963450.db2.gz SBYHLQXVXHIPEA-KGLIPLIRSA-N -1 0 326.396 3.627 20 0 EHADRM CN(Cc1cc2ccccc2o1)C(=O)NCCCCCCC(=O)[O-] ZINC000830810708 979021590 /nfs/dbraw/zinc/02/15/90/979021590.db2.gz HTBCHUKGDUJIIY-UHFFFAOYSA-N -1 0 332.400 3.609 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)CC(F)(F)F ZINC001592683119 979108944 /nfs/dbraw/zinc/10/89/44/979108944.db2.gz VAMXAACIQPDPPV-JIMOISOXSA-N -1 0 344.333 3.585 20 0 EHADRM CC[C@@H](C)n1ncc(N[C@@H](C)c2cncc(C(=O)[O-])c2)c1C1CC1 ZINC001595027321 979141654 /nfs/dbraw/zinc/14/16/54/979141654.db2.gz SFSLSTLIHGNODY-NEPJUHHUSA-N -1 0 328.416 3.998 20 0 EHADRM C[C@@H](CNC(=O)c1ccccc1C(=O)[O-])c1nc2ccccc2s1 ZINC001592699034 979157665 /nfs/dbraw/zinc/15/76/65/979157665.db2.gz WOJJVCUYPDOJCX-NSHDSACASA-N -1 0 340.404 3.528 20 0 EHADRM CC[C@H](CC(=O)N(C)[C@@H](CC(C)C)C(=O)[O-])c1ccc(OC)cc1 ZINC001595029708 979159483 /nfs/dbraw/zinc/15/94/83/979159483.db2.gz DRMYEOUFZMWFGA-PBHICJAKSA-N -1 0 335.444 3.537 20 0 EHADRM C[C@@H](CNC(=O)c1ccsc1C(=O)[O-])c1nc2ccccc2s1 ZINC001592702043 979163283 /nfs/dbraw/zinc/16/32/83/979163283.db2.gz UMZRCJNOSKFPCU-VIFPVBQESA-N -1 0 346.433 3.590 20 0 EHADRM CC[C@H](CC(=O)N[C@H](C(=O)[O-])c1cccc(O)c1)c1ccc(C)cc1 ZINC001595033529 979176244 /nfs/dbraw/zinc/17/62/44/979176244.db2.gz MOFQJGZZXRHQKM-KUHUBIRLSA-N -1 0 341.407 3.526 20 0 EHADRM CC[C@@H](CC(=O)N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1)C(C)(C)C ZINC001595033606 979176700 /nfs/dbraw/zinc/17/67/00/979176700.db2.gz NFVZMJUDKXBMFJ-SDDRHHMPSA-N -1 0 337.382 3.560 20 0 EHADRM CC[C@@H](CC(=O)Nc1ccsc1C(=O)[O-])c1ccc(OC)cc1 ZINC001595037000 979202392 /nfs/dbraw/zinc/20/23/92/979202392.db2.gz MOLPRESAHIVDKX-NSHDSACASA-N -1 0 333.409 3.977 20 0 EHADRM CC[C@H](CC(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1)c1ccc(OC)cc1 ZINC001595037165 979203920 /nfs/dbraw/zinc/20/39/20/979203920.db2.gz RDCXHSFBAZDPNR-STXHMFSFSA-N -1 0 347.455 3.729 20 0 EHADRM Cc1cc(Nc2cccc(C(=O)[O-])n2)cnc1N1CCCC[C@H]1C ZINC000833746482 979235618 /nfs/dbraw/zinc/23/56/18/979235618.db2.gz APNLECIZHXEVPR-CYBMUJFWSA-N -1 0 326.400 3.606 20 0 EHADRM O=C([O-])c1cccc(CNc2ccc(N3CCSCC3)cc2)c1 ZINC000840994488 979292392 /nfs/dbraw/zinc/29/23/92/979292392.db2.gz PVIPJZCAFPLILL-UHFFFAOYSA-N -1 0 328.437 3.550 20 0 EHADRM CCC(CC)(CCOC(=O)c1cc(Cl)ncc1Cl)C(=O)[O-] ZINC001595059601 979308653 /nfs/dbraw/zinc/30/86/53/979308653.db2.gz HENIAUQHRXIQJK-UHFFFAOYSA-N -1 0 334.199 3.826 20 0 EHADRM C[C@@H](Cc1ccc(NC[C@H]2CCOc3ccccc32)cc1)C(=O)[O-] ZINC000841812518 979313698 /nfs/dbraw/zinc/31/36/98/979313698.db2.gz WKRIAFDJVHAMQN-GOEBONIOSA-N -1 0 325.408 3.928 20 0 EHADRM O=C([O-])CCCC(=O)NCC1(c2ccc(F)cc2Cl)CCCC1 ZINC000843331142 979340298 /nfs/dbraw/zinc/34/02/98/979340298.db2.gz IMOSRWABODDUBE-UHFFFAOYSA-N -1 0 341.810 3.662 20 0 EHADRM CCC(CC)(CNC(=O)c1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC001595075221 979348999 /nfs/dbraw/zinc/34/89/99/979348999.db2.gz UVFAFUARGUTJQZ-UHFFFAOYSA-N -1 0 339.435 3.802 20 0 EHADRM C[C@](COC(=O)Cc1coc2ccccc12)(C(=O)[O-])c1ccccc1 ZINC001592765627 979372886 /nfs/dbraw/zinc/37/28/86/979372886.db2.gz WWSVXDBQDFUABZ-HXUWFJFHSA-N -1 0 338.359 3.561 20 0 EHADRM CCC(CC)(NC(=O)c1ccc(C(=O)[O-])n1C)c1ccc(Cl)cc1 ZINC001595097675 979394599 /nfs/dbraw/zinc/39/45/99/979394599.db2.gz GMKVKPWDKGZXEV-UHFFFAOYSA-N -1 0 348.830 3.822 20 0 EHADRM O=C(/C=C\C1CCCC1)NCc1c2ccccc2sc1C(=O)[O-] ZINC000846115191 979404841 /nfs/dbraw/zinc/40/48/41/979404841.db2.gz ICWFVCIZIHVXPN-KTKRTIGZSA-N -1 0 329.421 3.962 20 0 EHADRM O=C([O-])Cc1ccccc1CN(Cc1ccc(F)cc1F)C1CC1 ZINC000846240785 979418480 /nfs/dbraw/zinc/41/84/80/979418480.db2.gz ZNPVZDNBBVZTIW-UHFFFAOYSA-N -1 0 331.362 3.757 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)CCCc1c(F)cccc1F ZINC000848446837 979469337 /nfs/dbraw/zinc/46/93/37/979469337.db2.gz AQMQLHGCNZVCOM-UHFFFAOYSA-N -1 0 345.345 3.575 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000848875041 979477924 /nfs/dbraw/zinc/47/79/24/979477924.db2.gz MQVYMKJPCHBLSN-GFCCVEGCSA-N -1 0 346.402 3.514 20 0 EHADRM O=C([O-])C[C@H](CNc1nc(-c2cccnc2)nc2ccccc21)C1CC1 ZINC000849347687 979498857 /nfs/dbraw/zinc/49/88/57/979498857.db2.gz AWDKDWDAQLRWQP-OAHLLOKOSA-N -1 0 348.406 3.605 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc2cc(Cl)ccc2s1 ZINC000851596027 979510444 /nfs/dbraw/zinc/51/04/44/979510444.db2.gz JVJYVUIPGRAJQR-HNNXBMFYSA-N -1 0 325.817 3.928 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C[C@]23CCCC[C@H]2C3(F)F)cc1F ZINC000851600236 979518955 /nfs/dbraw/zinc/51/89/55/979518955.db2.gz KRWCAJGQQCUHQN-IUODEOHRSA-N -1 0 327.302 3.678 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N2CCC[C@H]2CCc2ccccc2)o1 ZINC000851601189 979520596 /nfs/dbraw/zinc/52/05/96/979520596.db2.gz JJCLKHVRJKCUTM-KVNDZABWSA-N -1 0 339.391 3.615 20 0 EHADRM CC1(C)[C@H](c2ccccc2)CCN1C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851605291 979529043 /nfs/dbraw/zinc/52/90/43/979529043.db2.gz BMMUXEFSQHZWEB-SOGBHIHOSA-N -1 0 339.391 3.786 20 0 EHADRM Cc1cc([C@H](NC(=O)c2ccc(/C=C/C(=O)[O-])o2)C2CC2)ccc1F ZINC000851609618 979537059 /nfs/dbraw/zinc/53/70/59/979537059.db2.gz XZNLGJZXSZOFBJ-AHKGRUIUSA-N -1 0 343.354 3.706 20 0 EHADRM C[C@H](CSC(F)(F)F)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC001592825192 979540622 /nfs/dbraw/zinc/54/06/22/979540622.db2.gz QVZKSFLTJQZKHG-ZCFIWIBFSA-N -1 0 341.738 3.866 20 0 EHADRM O=C([O-])C[C@@H](CNC(=O)c1cccc(SC(F)(F)F)c1)C1CC1 ZINC000851620537 979550224 /nfs/dbraw/zinc/55/02/24/979550224.db2.gz GKSSFFVDYFZSJN-NSHDSACASA-N -1 0 347.358 3.529 20 0 EHADRM C[C@@H](CSc1ccc(F)cc1)C(=O)N[C@H](CC(=O)[O-])C(C)(C)C ZINC001592830540 979556568 /nfs/dbraw/zinc/55/65/68/979556568.db2.gz YYROESMXXMCMQI-SMDDNHRTSA-N -1 0 341.448 3.560 20 0 EHADRM CC[C@@](CNC(=O)[C@@H](C)c1ccccc1C)(C(=O)[O-])c1ccccc1 ZINC001595135461 979576118 /nfs/dbraw/zinc/57/61/18/979576118.db2.gz SUCKUFCWMBNWBF-KKSFZXQISA-N -1 0 339.435 3.647 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001592839885 979601393 /nfs/dbraw/zinc/60/13/93/979601393.db2.gz REXDKZXFMIGUQZ-ZJNQMXKESA-N -1 0 347.798 3.734 20 0 EHADRM CC[C@@H](CNC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC001595148193 979631735 /nfs/dbraw/zinc/63/17/35/979631735.db2.gz XTIIYIWSZDEQRJ-DOTOQJQBSA-N -1 0 346.471 3.713 20 0 EHADRM CC[C@H](CNC(=O)NCC1(CC(=O)[O-])CCCC1)c1ccccc1 ZINC001595149991 979638402 /nfs/dbraw/zinc/63/84/02/979638402.db2.gz LXEKBFWBZZMGIS-OAHLLOKOSA-N -1 0 332.444 3.515 20 0 EHADRM CC[C@@H](CNC(=O)Nc1ccc(-c2ccccc2)c(C)c1)C(=O)[O-] ZINC001595152184 979646189 /nfs/dbraw/zinc/64/61/89/979646189.db2.gz GGAUCQJVBJXJDW-AWEZNQCLSA-N -1 0 326.396 3.894 20 0 EHADRM CC[C@H](C)N(Cc1ccccc1)C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000864101319 979684781 /nfs/dbraw/zinc/68/47/81/979684781.db2.gz SXHFRIJLTQQZRT-HBWSCVEGSA-N -1 0 327.380 3.818 20 0 EHADRM COc1ccccc1CN(C(=O)c1ccc(C)c(C(=O)[O-])c1)C1CC1 ZINC000864102543 979686798 /nfs/dbraw/zinc/68/67/98/979686798.db2.gz WNYCTXVTPHZSJZ-UHFFFAOYSA-N -1 0 339.391 3.507 20 0 EHADRM CC(C)Oc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC000864107045 979695097 /nfs/dbraw/zinc/69/50/97/979695097.db2.gz ZWWKRKFZRNRPEA-YGNAEDSMSA-N -1 0 343.379 3.656 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)/C=C\c2ccc(C(=O)[O-])o2)c1C ZINC000864111554 979702517 /nfs/dbraw/zinc/70/25/17/979702517.db2.gz HMHQNOFCBHWOQR-CCCPALQASA-N -1 0 339.391 3.972 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N2C[C@@H]3CCCC[C@@]32C)cc1)C(=O)[O-] ZINC001592865778 979709338 /nfs/dbraw/zinc/70/93/38/979709338.db2.gz GZALFOGNBOOVNH-RFUYNDQBSA-N -1 0 330.428 3.746 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N2CCC[C@H]2CCc2ccccc2)o1 ZINC000864124544 979724452 /nfs/dbraw/zinc/72/44/52/979724452.db2.gz COKHLMDRNBTNJU-BYIUCRAPSA-N -1 0 339.391 3.615 20 0 EHADRM Cc1ccc(C(=O)N2CCSC[C@H]2c2ccccc2)cc1C(=O)[O-] ZINC000864125303 979725119 /nfs/dbraw/zinc/72/51/19/979725119.db2.gz RXQFFLIVTROXNV-KRWDZBQOSA-N -1 0 341.432 3.624 20 0 EHADRM Cc1ccc(C)c([C@H]2CCCN2C(=O)/C=C\c2ccc(C(=O)[O-])o2)c1 ZINC000864129920 979731189 /nfs/dbraw/zinc/73/11/89/979731189.db2.gz OODGNHCSOXBXFB-SECOEOQKSA-N -1 0 339.391 3.972 20 0 EHADRM C[C@@H](CCc1ccc(F)cc1)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000864131781 979733436 /nfs/dbraw/zinc/73/34/36/979733436.db2.gz BMWBQOATZHGVPV-GOEBONIOSA-N -1 0 349.446 3.744 20 0 EHADRM CCN(C(=O)/C=C/c1ccc(C(=O)[O-])o1)[C@H](C)Cc1ccsc1 ZINC000864142306 979746939 /nfs/dbraw/zinc/74/69/39/979746939.db2.gz GAAFRSBGSIBBGJ-HOSRBBHYSA-N -1 0 333.409 3.532 20 0 EHADRM O=C([O-])CC1(NC(=O)CCc2ccc(F)c3ccccc23)CCCC1 ZINC000864142853 979747999 /nfs/dbraw/zinc/74/79/99/979747999.db2.gz SMYTWXYYCOAOSA-UHFFFAOYSA-N -1 0 343.398 3.815 20 0 EHADRM CC(C)CN(Cc1ccccc1F)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000864159473 979774139 /nfs/dbraw/zinc/77/41/39/979774139.db2.gz UKGBKVMSKVGPOU-NTMALXAHSA-N -1 0 345.370 3.815 20 0 EHADRM CC(C)(C(=O)N[C@H]1CC=C(C(=O)[O-])C1)c1ccc(-c2ccccc2)cc1 ZINC000864167161 979792631 /nfs/dbraw/zinc/79/26/31/979792631.db2.gz CXTCWATXWVWYFX-IBGZPJMESA-N -1 0 349.430 3.921 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)o1 ZINC000864179721 979827057 /nfs/dbraw/zinc/82/70/57/979827057.db2.gz DGQINBPGDLJNOK-HGPCXVNDSA-N -1 0 343.354 3.884 20 0 EHADRM CC(C)(C)OC1CCC(NC(=O)CCc2ccc(C(=O)[O-])cc2)CC1 ZINC000864190332 979842195 /nfs/dbraw/zinc/84/21/95/979842195.db2.gz ZOZRLDPRJBDDLO-UHFFFAOYSA-N -1 0 347.455 3.560 20 0 EHADRM C[C@H](Cc1ccsc1)Nc1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001592906950 979850483 /nfs/dbraw/zinc/85/04/83/979850483.db2.gz RQWGBJMSRBJZLL-MRVPVSSYSA-N -1 0 330.331 3.903 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)c1cc(Cl)cc2ccccc21)C1CC1 ZINC000864200769 979877211 /nfs/dbraw/zinc/87/72/11/979877211.db2.gz FOFDZYGOLOAQBU-GOSISDBHSA-N -1 0 331.799 3.866 20 0 EHADRM CCC(CC)(CNC(=O)CCc1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000864202475 979880977 /nfs/dbraw/zinc/88/09/77/979880977.db2.gz RTIPJDHZNRPBOS-UHFFFAOYSA-N -1 0 345.361 3.802 20 0 EHADRM CCC(CC)(CNC(=O)C1(C(=O)[O-])CC2(CCC2)C1)C(F)(F)F ZINC000864202061 979881434 /nfs/dbraw/zinc/88/14/34/979881434.db2.gz LXQUWNVCJONTAP-UHFFFAOYSA-N -1 0 335.366 3.506 20 0 EHADRM C[C@H](CC(=O)N[C@](C)(CC(=O)[O-])C1CC1)Cc1ccc(Cl)cc1 ZINC000864204284 979885623 /nfs/dbraw/zinc/88/56/23/979885623.db2.gz VVFONMTYTFPZAN-KPZWWZAWSA-N -1 0 337.847 3.668 20 0 EHADRM C[C@@H](Cc1nnc(SCc2ccc(C(=O)[O-])o2)o1)c1ccccc1 ZINC001592913237 979887243 /nfs/dbraw/zinc/88/72/43/979887243.db2.gz ZWIOLSQQRFDQJB-NSHDSACASA-N -1 0 344.392 3.999 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccnn2CC2CCC2)cc2ccccc21 ZINC000864225112 979909914 /nfs/dbraw/zinc/90/99/14/979909914.db2.gz MLCMOFJJSFXMLJ-UHFFFAOYSA-N -1 0 349.390 3.787 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000864227071 979914811 /nfs/dbraw/zinc/91/48/11/979914811.db2.gz USPCHNSZRMKZAQ-NWANDNLSSA-N -1 0 341.432 3.765 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)C[C@H](C)c2ccc(F)cc2)c1 ZINC000864229510 979924408 /nfs/dbraw/zinc/92/44/08/979924408.db2.gz LXOOPSGBQLUCMJ-KSSFIOAISA-N -1 0 343.398 3.960 20 0 EHADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1sc2cccc(Cl)c2c1Cl ZINC000868443338 979954826 /nfs/dbraw/zinc/95/48/26/979954826.db2.gz VITTWDFZLUTBDQ-KNVOCYPGSA-N -1 0 344.219 3.801 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)N1C[C@@H](C(=O)[O-])Cc2ccccc21 ZINC001595211329 979990692 /nfs/dbraw/zinc/99/06/92/979990692.db2.gz SCVZOPXAQMFTQM-WMZOPIPTSA-N -1 0 337.419 3.545 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001595211705 979994063 /nfs/dbraw/zinc/99/40/63/979994063.db2.gz UQFBTUFWXQFEKG-MRXNPFEDSA-N -1 0 343.423 3.822 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC001595212238 979997862 /nfs/dbraw/zinc/99/78/62/979997862.db2.gz YPLKOADUHSVKEZ-IEBWSBKVSA-N -1 0 339.435 3.548 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(C)C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001595212429 980000241 /nfs/dbraw/zinc/00/02/41/980000241.db2.gz DFPGNVUIIMBUCS-KRWDZBQOSA-N -1 0 329.371 3.617 20 0 EHADRM CC(F)(F)c1ccc(C(=O)N2C[C@@H](C(=O)[O-])Cc3ccccc32)cc1 ZINC001592943632 980014575 /nfs/dbraw/zinc/01/45/75/980014575.db2.gz KPILGVGOQMKWJJ-AWEZNQCLSA-N -1 0 345.345 3.702 20 0 EHADRM C[C@H](N(C)C(=O)Nc1cccc(SCCC(=O)[O-])c1)C1(C)CC1 ZINC001592950581 980029432 /nfs/dbraw/zinc/02/94/32/980029432.db2.gz ISWSRKHPGRMNDR-LBPRGKRZSA-N -1 0 336.457 3.906 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC001595219946 980042965 /nfs/dbraw/zinc/04/29/65/980042965.db2.gz UCIBTHUNDXCGKI-WRWLIDTKSA-N -1 0 331.456 3.713 20 0 EHADRM CC[C@](NC(=O)[C@H]1CCC(F)(F)C1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595237094 980141822 /nfs/dbraw/zinc/14/18/22/980141822.db2.gz WZNXJZBAYORTTQ-MGPLVRAMSA-N -1 0 345.773 3.582 20 0 EHADRM CC[C@](NC(=O)CCCC(C)C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595238296 980154135 /nfs/dbraw/zinc/15/41/35/980154135.db2.gz IWQBYZNHLWSKHL-QGZVFWFLSA-N -1 0 325.836 3.972 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)c1cc3cc(Cl)ccc3o1)CC2 ZINC000872769347 980156874 /nfs/dbraw/zinc/15/68/74/980156874.db2.gz SPSSFIXVLCEZKR-PBHICJAKSA-N -1 0 333.771 3.556 20 0 EHADRM CO[C@@H]1CC[C@H](C(=O)Nc2scc(-c3ccccc3)c2C(=O)[O-])C1 ZINC000887328339 980220144 /nfs/dbraw/zinc/22/01/44/980220144.db2.gz VCBDNGXZCRFVAT-QWHCGFSZSA-N -1 0 345.420 3.867 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2cc(C3CC3)oc2C2CC2)cc1 ZINC000899295955 980225389 /nfs/dbraw/zinc/22/53/89/980225389.db2.gz QPUIPMLEAMOPPD-UHFFFAOYSA-N -1 0 325.364 3.914 20 0 EHADRM C[C@H]1[C@H](Nc2ccc(Cl)c(C[S@](C)=O)c2)CC[C@H]1CC(=O)[O-] ZINC000901441544 980289841 /nfs/dbraw/zinc/28/98/41/980289841.db2.gz JWCMBRCXCJFZIB-WUYCLZTMSA-N -1 0 343.876 3.520 20 0 EHADRM CCN(CC)C(=O)c1ccc(N[C@@H](C)CC(C)(C)CC(=O)[O-])cc1 ZINC000901465704 980299786 /nfs/dbraw/zinc/29/97/86/980299786.db2.gz XZLROBZPLSYUOK-AWEZNQCLSA-N -1 0 334.460 3.860 20 0 EHADRM C[C@@H](NC(=O)N1CCC(CC(=O)[O-])CC1)c1cccc2ccccc21 ZINC001593054772 980364915 /nfs/dbraw/zinc/36/49/15/980364915.db2.gz NXAJLRNUKIBJPS-CQSZACIVSA-N -1 0 340.423 3.797 20 0 EHADRM COCc1ccccc1/C=C(\C)CNc1cccc(CC(=O)[O-])c1 ZINC000901660380 980431595 /nfs/dbraw/zinc/43/15/95/980431595.db2.gz BFVYEVZFQAPKIY-XNTDXEJSSA-N -1 0 325.408 3.976 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000901698544 980453819 /nfs/dbraw/zinc/45/38/19/980453819.db2.gz HKBLNSWWHXIZSU-IBGZPJMESA-N -1 0 344.386 3.700 20 0 EHADRM O=C([O-])c1cc(NCc2cnc(C3CC3)o2)ccc1N1CCCCC1 ZINC000901775351 980506411 /nfs/dbraw/zinc/50/64/11/980506411.db2.gz MDYBMXDRFVFWEN-UHFFFAOYSA-N -1 0 341.411 3.853 20 0 EHADRM CC[C@H](Nc1nc(C)cc(C(=O)[O-])n1)c1ccccc1OC(F)F ZINC001595322720 980516057 /nfs/dbraw/zinc/51/60/57/980516057.db2.gz IQSGLJMIAGFTHL-NSHDSACASA-N -1 0 337.326 3.648 20 0 EHADRM CC[C@H](OC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1cccc(Br)c1 ZINC001595345237 980630793 /nfs/dbraw/zinc/63/07/93/980630793.db2.gz RKOXCRMAVLIVQV-LOWVWBTDSA-N -1 0 341.201 3.554 20 0 EHADRM CN(C)c1ccc(F)cc1CNc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000901943719 980643726 /nfs/dbraw/zinc/64/37/26/980643726.db2.gz DDJXXWLDLYBKRA-DLBZAZTESA-N -1 0 328.387 3.692 20 0 EHADRM CC[C@@H](OC(=O)c1ccccc1S[C@H](C)C(=O)[O-])c1ccncc1 ZINC001595351657 980659842 /nfs/dbraw/zinc/65/98/42/980659842.db2.gz IUZFXYPDZVNMCZ-IUODEOHRSA-N -1 0 345.420 3.955 20 0 EHADRM CC[C@H](OC(=O)c1cccc(CC(=O)[O-])c1)c1ccc(F)cc1F ZINC001595352176 980666117 /nfs/dbraw/zinc/66/61/17/980666117.db2.gz UGEWKWVFSNZPFB-INIZCTEOSA-N -1 0 334.318 3.900 20 0 EHADRM CC[C@H](OC(=O)c1csc(Cc2ccc(C)cc2)n1)[C@@H](C)C(=O)[O-] ZINC001595353902 980686500 /nfs/dbraw/zinc/68/65/00/980686500.db2.gz LTULENHZSDGFPC-DOMZBBRYSA-N -1 0 347.436 3.698 20 0 EHADRM C[C@@H]1CCN(Cc2cnc(-c3ccccc3F)s2)[C@H](C(=O)[O-])C1 ZINC000902011502 980689854 /nfs/dbraw/zinc/68/98/54/980689854.db2.gz KCRZGFCULOLVGF-ABAIWWIYSA-N -1 0 334.416 3.634 20 0 EHADRM CC[C@H](SCc1ccc(C(=O)[O-])s1)C(=O)NCc1ccccc1 ZINC001595358161 980729979 /nfs/dbraw/zinc/72/99/79/980729979.db2.gz CGIXPOFKRVHVKT-AWEZNQCLSA-N -1 0 349.477 3.775 20 0 EHADRM C[C@@H](CC(C)(C)CC(=O)[O-])Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000902093011 980730112 /nfs/dbraw/zinc/73/01/12/980730112.db2.gz MJOXTTVBWSAXKD-AWEZNQCLSA-N -1 0 332.444 3.614 20 0 EHADRM CC[C@H](SC)C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001595358941 980737153 /nfs/dbraw/zinc/73/71/53/980737153.db2.gz VLMIZQWRPHOLPC-QWRGUYRKSA-N -1 0 337.224 3.804 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cccc2c1CCC2 ZINC001595360083 980748215 /nfs/dbraw/zinc/74/82/15/980748215.db2.gz CEGGMZPSPRIEEO-IBGZPJMESA-N -1 0 337.419 3.853 20 0 EHADRM CC(C)[C@H](NCc1ccc(/C=C\C(=O)[O-])o1)c1nc2ccccc2[nH]1 ZINC000902141345 980753416 /nfs/dbraw/zinc/75/34/16/980753416.db2.gz ZTYCDPOLHBOBIB-LPADLIQXSA-N -1 0 339.395 3.741 20 0 EHADRM Cn1cnnc1-c1cccc(N[C@H]2CCC[C@H](CCCC(=O)[O-])C2)c1 ZINC000902139059 980753693 /nfs/dbraw/zinc/75/36/93/980753693.db2.gz MDLVIWAOIKQTQL-ZBFHGGJFSA-N -1 0 342.443 3.708 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cccc(C(C)=O)c1 ZINC001595360927 980757007 /nfs/dbraw/zinc/75/70/07/980757007.db2.gz QCAWDXDKNQDAGF-GOSISDBHSA-N -1 0 339.391 3.567 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001595361893 980766413 /nfs/dbraw/zinc/76/64/13/980766413.db2.gz QXGSCKUAVNYXRP-QZTJIDSGSA-N -1 0 341.382 3.530 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)OC)Cc1ccc(C(=O)[O-])s1 ZINC001595362899 980775902 /nfs/dbraw/zinc/77/59/02/980775902.db2.gz SGEZSNXNYONJHA-OAHLLOKOSA-N -1 0 347.436 3.573 20 0 EHADRM CC[C@H](c1ccccc1)N(CC)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001595363764 980785807 /nfs/dbraw/zinc/78/58/07/980785807.db2.gz LMYKESAUCORDJS-DVFVSVACSA-N -1 0 327.380 3.991 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001595363937 980788550 /nfs/dbraw/zinc/78/85/50/980788550.db2.gz MPMRLCARNDCDOR-BYIUCRAPSA-N -1 0 327.380 3.991 20 0 EHADRM CSCCc1ccccc1NCc1ccc(OCC(=O)[O-])cc1 ZINC000902335718 980837089 /nfs/dbraw/zinc/83/70/89/980837089.db2.gz IJFQVSUGSYSTHM-UHFFFAOYSA-N -1 0 331.437 3.668 20 0 EHADRM CC[C@@]1(C)Oc2ccc(NC(=O)CC3(CC(=O)[O-])CCCC3)cc2O1 ZINC001595371643 980852916 /nfs/dbraw/zinc/85/29/16/980852916.db2.gz JVMXRFWOELTEKH-SFHVURJKSA-N -1 0 347.411 3.948 20 0 EHADRM CCCN1C(=O)CCc2cc(NCc3cc(C(=O)[O-])oc3C)ccc21 ZINC000902387616 980866538 /nfs/dbraw/zinc/86/65/38/980866538.db2.gz ITUVDVDZVZTOCR-UHFFFAOYSA-N -1 0 342.395 3.588 20 0 EHADRM COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1cccc(C(=O)[O-])n1 ZINC000902388644 980866628 /nfs/dbraw/zinc/86/66/28/980866628.db2.gz WTXOSQNHQOCMGT-KRWDZBQOSA-N -1 0 328.412 3.665 20 0 EHADRM CCC1(CC)[C@H](NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)[C@@H](C)[C@@H]1OC ZINC001595374342 980883170 /nfs/dbraw/zinc/88/31/70/980883170.db2.gz XTMIOMRWJGBHCB-WQVCFCJDSA-N -1 0 348.443 3.654 20 0 EHADRM COc1cc(C)c(CNc2ccc(SC)c(C(=O)[O-])c2)c(C)n1 ZINC000902568247 980937383 /nfs/dbraw/zinc/93/73/83/980937383.db2.gz SIESWYFMNIXPBH-UHFFFAOYSA-N -1 0 332.425 3.739 20 0 EHADRM CSc1ccc(NCc2ccnn2CC2CCC2)cc1C(=O)[O-] ZINC000902571113 980939158 /nfs/dbraw/zinc/93/91/58/980939158.db2.gz UOVUQGVLJMGGAT-UHFFFAOYSA-N -1 0 331.441 3.715 20 0 EHADRM CCC1(NC(=O)c2cc(Br)cc(C(=O)[O-])c2)CCCC1 ZINC001595390533 980946729 /nfs/dbraw/zinc/94/67/29/980946729.db2.gz HRLUOTUGPSGDEL-UHFFFAOYSA-N -1 0 340.217 3.600 20 0 EHADRM CCC1(c2ccc(Cl)cc2)CCN(c2ccc(C(=O)[O-])nn2)CC1 ZINC001595397745 980967005 /nfs/dbraw/zinc/96/70/05/980967005.db2.gz WQOVVPPENDGMIO-UHFFFAOYSA-N -1 0 345.830 3.776 20 0 EHADRM CCC1=C(C(=O)[O-])[C@@H](c2cc(Cl)cs2)NC(=O)N1CC1CC1 ZINC001595399426 980971417 /nfs/dbraw/zinc/97/14/17/980971417.db2.gz OMXRRQIXGLUDNI-CYBMUJFWSA-N -1 0 340.832 3.627 20 0 EHADRM COc1ccc(C(=O)[O-])cc1CN(CC1CCC1)CC(F)(F)F ZINC000903598995 980981471 /nfs/dbraw/zinc/98/14/71/980981471.db2.gz YYIFMANRMMPUPY-UHFFFAOYSA-N -1 0 331.334 3.558 20 0 EHADRM CC[C@H]1[C@@H](C)CCN1C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001595406042 980989759 /nfs/dbraw/zinc/98/97/59/980989759.db2.gz XCEVRUYEHYDIGX-WFASDCNBSA-N -1 0 334.416 3.824 20 0 EHADRM CC[C@@H]1C[C@@H](CC(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)CCO1 ZINC001595412277 981009531 /nfs/dbraw/zinc/00/95/31/981009531.db2.gz BRHVSSQDSHTEBN-DZGCQCFKSA-N -1 0 334.412 3.550 20 0 EHADRM CC[C@H]1CC[C@H](C)N1C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001595415658 981029149 /nfs/dbraw/zinc/02/91/49/981029149.db2.gz JIILNAHGZNQMAH-WPRPVWTQSA-N -1 0 328.771 3.972 20 0 EHADRM CCC1CCC(NC(=O)[C@@H]2[C@@H](C)[C@@H]2c2ccccc2)(C(=O)[O-])CC1 ZINC001595420651 981037325 /nfs/dbraw/zinc/03/73/25/981037325.db2.gz WCZYLMQPZSFRNL-QJCYGUIOSA-N -1 0 329.440 3.576 20 0 EHADRM CCC1CCC(NC(=O)/C=C(/C)c2ccc(OC)cc2)(C(=O)[O-])CC1 ZINC001595420689 981037415 /nfs/dbraw/zinc/03/74/15/981037415.db2.gz FXZLGBNKVFGXRG-YPKPFQOOSA-N -1 0 345.439 3.638 20 0 EHADRM CCC1CCC(NC(=O)c2ccc(C(F)(F)F)s2)(C(=O)[O-])CC1 ZINC001595424634 981043018 /nfs/dbraw/zinc/04/30/18/981043018.db2.gz HTSUNXOCROCZEA-UHFFFAOYSA-N -1 0 349.374 3.920 20 0 EHADRM CC[C@H]1CCC[C@@H](NC(=O)Nc2cc(COC)cc(C(=O)[O-])c2)C1 ZINC001595431740 981054465 /nfs/dbraw/zinc/05/44/65/981054465.db2.gz DYCMJLNYGDTEMY-SWLSCSKDSA-N -1 0 334.416 3.622 20 0 EHADRM CC[C@H]1CCC[C@@H](CNc2ccc(C(=O)NCCC(=O)[O-])cc2)C1 ZINC001595432073 981055892 /nfs/dbraw/zinc/05/58/92/981055892.db2.gz IKECSHDOWYSFJA-LSDHHAIUSA-N -1 0 332.444 3.519 20 0 EHADRM CC[C@@H]1CCC[C@@]1(C)C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC001595436653 981070163 /nfs/dbraw/zinc/07/01/63/981070163.db2.gz SXAAHEAWALETJT-OXQOHEQNSA-N -1 0 347.455 3.763 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1N(C)C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001595444000 981084938 /nfs/dbraw/zinc/08/49/38/981084938.db2.gz HASVAKLSXVTOIT-PBHICJAKSA-N -1 0 342.439 3.767 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC001595448101 981097818 /nfs/dbraw/zinc/09/78/18/981097818.db2.gz MNGCDSPLMGAMTH-AYBZRNKSSA-N -1 0 347.455 3.531 20 0 EHADRM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001595448499 981099260 /nfs/dbraw/zinc/09/92/60/981099260.db2.gz RNHVAONYKPCIDN-QWHCGFSZSA-N -1 0 339.457 3.987 20 0 EHADRM Cc1cc([C@@H](NCc2nc(C(F)(F)F)cs2)C(=O)[O-])ccc1F ZINC000905382130 981103134 /nfs/dbraw/zinc/10/31/34/981103134.db2.gz ALJWETZJMMTBBT-GFCCVEGCSA-N -1 0 348.321 3.525 20 0 EHADRM O=C([O-])c1ccc(CNC2(c3ccc(C(F)(F)F)cc3)CC2)nc1 ZINC000905726759 981125599 /nfs/dbraw/zinc/12/55/99/981125599.db2.gz YGLCXXSNUPSHLJ-UHFFFAOYSA-N -1 0 336.313 3.578 20 0 EHADRM CO[C@H]1C[C@H]2C[C@@H](Nc3cc(C(=O)[O-])cc4cccnc43)C[C@H]2C1 ZINC000905756906 981143629 /nfs/dbraw/zinc/14/36/29/981143629.db2.gz AKLCKHMIEVWCTH-SDSIWUNFSA-N -1 0 326.396 3.549 20 0 EHADRM CC[C@H]1CCc2nc(NC(=O)C34CCC(C(=O)[O-])(CC3)C4)sc2C1 ZINC001595469637 981164030 /nfs/dbraw/zinc/16/40/30/981164030.db2.gz ADPGGXNOHUDTFM-NVWNAPEYSA-N -1 0 348.468 3.632 20 0 EHADRM COc1c(NC(=O)[C@H](C)Cc2ccccc2C)cccc1C(=O)[O-] ZINC000906498860 981170150 /nfs/dbraw/zinc/17/01/50/981170150.db2.gz FPVMKQKGQUMMAF-CYBMUJFWSA-N -1 0 327.380 3.519 20 0 EHADRM CC[C@H]1CCc2nc(NC(=O)c3cc(F)cc(C(=O)[O-])c3)sc2C1 ZINC001595471913 981177318 /nfs/dbraw/zinc/17/73/18/981177318.db2.gz SCWAARWYCASBNB-VIFPVBQESA-N -1 0 348.399 3.748 20 0 EHADRM CC[C@@H]1CN(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)CCCO1 ZINC001595476047 981194338 /nfs/dbraw/zinc/19/43/38/981194338.db2.gz WJMUWLULHDBESZ-OAHLLOKOSA-N -1 0 342.395 3.571 20 0 EHADRM CC[C@H]1c2ccccc2CN1C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001595503828 981277159 /nfs/dbraw/zinc/27/71/59/981277159.db2.gz DFRGJCGPNLRSNO-MFKMUULPSA-N -1 0 345.424 3.579 20 0 EHADRM CC[C@@H]1c2ccccc2CCN1C(=O)Nc1cc(C)c(C(=O)[O-])cn1 ZINC001595504608 981279194 /nfs/dbraw/zinc/27/91/94/981279194.db2.gz OKJQVYWONYNEEZ-MRXNPFEDSA-N -1 0 339.395 3.630 20 0 EHADRM O=C([O-])[C@H](CNC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)CC1CCCC1 ZINC000908282185 981294553 /nfs/dbraw/zinc/29/45/53/981294553.db2.gz JEOVDVDEZZQUIR-HZSPNIEDSA-N -1 0 349.393 3.752 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1ccc(C(F)F)cc1)CC1CCCC1 ZINC000908290320 981297094 /nfs/dbraw/zinc/29/70/94/981297094.db2.gz WFSNEOPQRXRDSK-AWEZNQCLSA-N -1 0 325.355 3.635 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)C2(CCc3ccccc3)CC2)CCC1 ZINC000908327734 981298866 /nfs/dbraw/zinc/29/88/66/981298866.db2.gz FPPUPWACYZYGRD-UHFFFAOYSA-N -1 0 343.467 3.941 20 0 EHADRM COc1c(NC(=O)c2cccc(OC(C)(C)C)c2)cccc1C(=O)[O-] ZINC000908500517 981318609 /nfs/dbraw/zinc/31/86/09/981318609.db2.gz HSQSIJCGXWEGDR-UHFFFAOYSA-N -1 0 343.379 3.823 20 0 EHADRM COc1c(NC(=O)CCc2ccc([C@H]3C[C@H]3C)o2)cccc1C(=O)[O-] ZINC000908506170 981319221 /nfs/dbraw/zinc/31/92/21/981319221.db2.gz AAUQZWIUAJKXNA-RISCZKNCSA-N -1 0 343.379 3.681 20 0 EHADRM Cc1cc2scc(CC(=O)N3CCC4(C[C@@H]4C(=O)[O-])CC3)c2s1 ZINC000908658405 981336434 /nfs/dbraw/zinc/33/64/34/981336434.db2.gz BGPVYVIQRIYANF-GFCCVEGCSA-N -1 0 349.477 3.527 20 0 EHADRM CN(C(=O)c1[nH]c2ccccc2c1CC(=O)[O-])C1CCCCCC1 ZINC000908706086 981343082 /nfs/dbraw/zinc/34/30/82/981343082.db2.gz VSMQQFUWPFYEHS-UHFFFAOYSA-N -1 0 328.412 3.590 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)c2ccccc2CCC(=O)[O-])c1 ZINC000908772228 981359107 /nfs/dbraw/zinc/35/91/07/981359107.db2.gz NTEYFPPOXICQNY-ZDUSSCGKSA-N -1 0 327.380 3.664 20 0 EHADRM C[C@@H]1CN(C(=O)C23CCC(C(=O)[O-])(CC2)C3)CC[C@@H]1c1ccccc1 ZINC000908831399 981370232 /nfs/dbraw/zinc/37/02/32/981370232.db2.gz JGBKQKHLEBVJFB-HQBWRIINSA-N -1 0 341.451 3.674 20 0 EHADRM Nc1c(Cl)cc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1Cl ZINC000908833863 981370985 /nfs/dbraw/zinc/37/09/85/981370985.db2.gz DDTFLMSUWCKZEX-UHFFFAOYSA-N -1 0 343.210 3.549 20 0 EHADRM CCC[C@H](C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1)C(C)C ZINC001595536122 981380631 /nfs/dbraw/zinc/38/06/31/981380631.db2.gz PJXLTFMQCQWFJC-FZMZJTMJSA-N -1 0 329.799 3.793 20 0 EHADRM CCC[C@H](C(=O)NC[C@H](CC1CCCC1)C(=O)[O-])c1ccccc1 ZINC001595536215 981381529 /nfs/dbraw/zinc/38/15/29/981381529.db2.gz RVCSPVJIUIRCRC-ROUUACIJSA-N -1 0 331.456 3.968 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)[C@H]2CCCCC2(C)C)c1OC ZINC000909045504 981406639 /nfs/dbraw/zinc/40/66/39/981406639.db2.gz RDZLGKIYJMYYML-GFCCVEGCSA-N -1 0 335.400 3.557 20 0 EHADRM CCC[C@](C)(NC(=O)Nc1cnc(C)c(C(=O)[O-])c1)c1ccccc1 ZINC001595547757 981423088 /nfs/dbraw/zinc/42/30/88/981423088.db2.gz YTDARDMHZKHQRX-IBGZPJMESA-N -1 0 341.411 3.925 20 0 EHADRM O=C([O-])CCCCCCNC(=O)Cc1c[nH]c2cccc(Cl)c12 ZINC000909145633 981426892 /nfs/dbraw/zinc/42/68/92/981426892.db2.gz KBNOBYOJWLDLSB-UHFFFAOYSA-N -1 0 336.819 3.515 20 0 EHADRM CCC[C@@](C)(NC(=O)c1csc(-c2ccc(CC)cc2)n1)C(=O)[O-] ZINC001595553995 981433949 /nfs/dbraw/zinc/43/39/49/981433949.db2.gz QNOTUZYKXUWYIK-GOSISDBHSA-N -1 0 346.452 3.746 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)[C@H]1CCCCS1 ZINC000909213468 981434076 /nfs/dbraw/zinc/43/40/76/981434076.db2.gz AWXXHOFIZCZWPB-CYBMUJFWSA-N -1 0 335.450 3.501 20 0 EHADRM CCC[C@H](C)C(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001595566573 981462006 /nfs/dbraw/zinc/46/20/06/981462006.db2.gz DKPCPWNYPUYAFG-BJOHPYRUSA-N -1 0 332.227 3.846 20 0 EHADRM CCC[C@H](C)[C@H]1CCCN1C(=O)Nc1cccc(C(=O)[O-])c1OC ZINC001595571846 981481295 /nfs/dbraw/zinc/48/12/95/981481295.db2.gz LUDGJOMEUYHVBT-SWLSCSKDSA-N -1 0 334.416 3.826 20 0 EHADRM CCCN(C(=O)c1cc(C(=O)[O-])on1)[C@@H](C)c1cc2ccccc2o1 ZINC000909400376 981484009 /nfs/dbraw/zinc/48/40/09/981484009.db2.gz BRBAIHOVQKDONG-NSHDSACASA-N -1 0 342.351 3.732 20 0 EHADRM CCc1c2ccccc2oc1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000909484336 981506206 /nfs/dbraw/zinc/50/62/06/981506206.db2.gz QCPGXNGVRRKVOG-ZDUSSCGKSA-N -1 0 329.396 3.712 20 0 EHADRM CCOCc1nc(C)c(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)s1 ZINC000909514300 981521287 /nfs/dbraw/zinc/52/12/87/981521287.db2.gz YCFVMRRLVPLTCJ-UHFFFAOYSA-N -1 0 348.424 3.555 20 0 EHADRM CCC[C@@H](CC(C)C)C(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1 ZINC001595586200 981530010 /nfs/dbraw/zinc/53/00/10/981530010.db2.gz RNDNOKYRPRSSMT-LBPRGKRZSA-N -1 0 335.400 3.572 20 0 EHADRM CCC[C@H](CCc1ccccc1)NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001595591522 981547689 /nfs/dbraw/zinc/54/76/89/981547689.db2.gz LFVKJOMNQHRAIW-KURKYZTESA-N -1 0 346.471 3.731 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc(C(F)F)cc2)C[C@H]1c1ccccc1 ZINC000909623815 981552768 /nfs/dbraw/zinc/55/27/68/981552768.db2.gz JMZYIRQTNWXOHW-JKSUJKDBSA-N -1 0 345.345 3.565 20 0 EHADRM CCC[C@H](NC(=O)NCCCCC1(C(=O)[O-])CCC1)c1ccccn1 ZINC001595599905 981574991 /nfs/dbraw/zinc/57/49/91/981574991.db2.gz IEHSHFFTOIVYPA-INIZCTEOSA-N -1 0 347.459 3.647 20 0 EHADRM CCC[C@H](OCC)C(=O)Nc1cc(C(=O)[O-])cc(Cl)c1Cl ZINC001595615910 981639515 /nfs/dbraw/zinc/63/95/15/981639515.db2.gz UWUQNUXZOIDGER-NSHDSACASA-N -1 0 334.199 3.835 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](C)[C@H](Cc2ccccc2)C(=O)[O-])c(Cl)c1 ZINC000909819641 981641367 /nfs/dbraw/zinc/64/13/67/981641367.db2.gz KXRRFMJCLKSPPT-BBRMVZONSA-N -1 0 345.826 3.710 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)NCC(CC)(CC)c1ccc(Cl)cc1 ZINC001594748631 981644918 /nfs/dbraw/zinc/64/49/18/981644918.db2.gz LIKNHOVSJOUMEZ-CQSZACIVSA-N -1 0 325.836 3.625 20 0 EHADRM O=C([O-])[C@H](NCc1ccc(F)c(Cl)c1)c1cc(F)ccc1F ZINC000683175014 1014753373 /nfs/dbraw/zinc/75/33/73/1014753373.db2.gz ZAWPGYQRYTYYNI-CQSZACIVSA-N -1 0 329.705 3.673 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)N2CCC[C@@](C)(C(=O)[O-])C2)c1 ZINC000909841488 981663016 /nfs/dbraw/zinc/66/30/16/981663016.db2.gz IPCQSNPCEGCGAX-FOIQADDNSA-N -1 0 347.455 3.682 20 0 EHADRM CC[C@@](CNC(=O)c1ccc(C(F)F)cc1)(C(=O)[O-])c1ccccc1 ZINC000909845155 981669332 /nfs/dbraw/zinc/66/93/32/981669332.db2.gz JCPPSDOUIQYUEF-IBGZPJMESA-N -1 0 347.361 3.787 20 0 EHADRM Cc1cncc(CCC(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)c1 ZINC000909845574 981670390 /nfs/dbraw/zinc/67/03/90/981670390.db2.gz VDCRLNOHSGCICM-SFHVURJKSA-N -1 0 346.471 3.643 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)[C@H]2CCC[C@@H]2c2ccccc2)s1 ZINC000909846432 981671714 /nfs/dbraw/zinc/67/17/14/981671714.db2.gz BMQUBWZHVICZDK-CABCVRRESA-N -1 0 329.421 3.646 20 0 EHADRM CC(C)(C)OCc1ccccc1C(=O)NCc1ccc(C(=O)[O-])s1 ZINC000909846501 981672475 /nfs/dbraw/zinc/67/24/75/981672475.db2.gz DEWAJDVLJKIEMN-UHFFFAOYSA-N -1 0 347.436 3.691 20 0 EHADRM CCC[C@@H]1CCCC[C@H]1CNC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001595621126 981696682 /nfs/dbraw/zinc/69/66/82/981696682.db2.gz CIFHTYHJMHSWKE-AEFFLSMTSA-N -1 0 346.471 3.833 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1 ZINC001594762660 981699350 /nfs/dbraw/zinc/69/93/50/981699350.db2.gz ZCPXRFKDUZMZOT-LBPRGKRZSA-N -1 0 332.425 3.785 20 0 EHADRM CCC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001595621574 981700974 /nfs/dbraw/zinc/70/09/74/981700974.db2.gz LBGPLRAAUMVMSD-TZMCWYRMSA-N -1 0 334.416 3.874 20 0 EHADRM CCC[C@H]1CCCC[C@H]1CNC(=O)NCc1cc(C)c(C(=O)[O-])o1 ZINC001595621809 981703772 /nfs/dbraw/zinc/70/37/72/981703772.db2.gz PDIGAYFLAQNUSZ-KBPBESRZSA-N -1 0 336.432 3.692 20 0 EHADRM C[C@@](CCF)(NC(=O)c1sc2cccc(F)c2c1Cl)C(=O)[O-] ZINC000909970024 981720234 /nfs/dbraw/zinc/72/02/34/981720234.db2.gz JNKSTVHWMCPZFY-AWEZNQCLSA-N -1 0 347.770 3.627 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)[C@H]1CCC[C@H]1c1ccccc1)C2 ZINC000910066231 981751083 /nfs/dbraw/zinc/75/10/83/981751083.db2.gz NPZDQQCMNMLVBR-HKUYNNGSSA-N -1 0 349.430 3.853 20 0 EHADRM C[C@H](NC(=O)Cc1ccc(C(C)(C)C)cc1)c1ncc(C(=O)[O-])s1 ZINC000910160859 981768593 /nfs/dbraw/zinc/76/85/93/981768593.db2.gz OYSPROXVRQBDAK-NSHDSACASA-N -1 0 346.452 3.559 20 0 EHADRM O=C([O-])Cc1ccc(CNC(=O)[C@@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC000910193081 981777470 /nfs/dbraw/zinc/77/74/70/981777470.db2.gz CNQOTPTZJRCXBK-RTBURBONSA-N -1 0 337.419 3.514 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)C[C@H](C)c1ccccc1F ZINC001594780617 981784155 /nfs/dbraw/zinc/78/41/55/981784155.db2.gz GJXUIBOIXPPMKJ-DJJJIMSYSA-N -1 0 335.419 3.811 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)/C=C(/C)c1cccc(OC)c1 ZINC001594780821 981784944 /nfs/dbraw/zinc/78/49/44/981784944.db2.gz HUYBGRWDRMDRHU-ACQXMXPUSA-N -1 0 345.439 3.590 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@H](F)CC1CCCCC1 ZINC001594781642 981788175 /nfs/dbraw/zinc/78/81/75/981788175.db2.gz LHNLMTAFSFAILE-QAPCUYQASA-N -1 0 327.440 3.787 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)/C=C\c1ccc(Cl)cc1 ZINC001594783388 981794553 /nfs/dbraw/zinc/79/45/53/981794553.db2.gz WXJPCZQQJNGAES-IBWPDUFMSA-N -1 0 335.831 3.845 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCCc2ccccc2Cl)[C@H]2CCC[C@H]21 ZINC000910239268 981806520 /nfs/dbraw/zinc/80/65/20/981806520.db2.gz GIBIUYVCQFZUEV-UXLLHSPISA-N -1 0 349.858 3.765 20 0 EHADRM CCCN(Cc1ccc(F)cc1)C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000910243305 981811477 /nfs/dbraw/zinc/81/14/77/981811477.db2.gz BWZGWJHGFNMSEO-UHFFFAOYSA-N -1 0 347.430 3.990 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cccc(F)c1SC ZINC001594790778 981843284 /nfs/dbraw/zinc/84/32/84/981843284.db2.gz HBLADLOXVNBJNL-KRWDZBQOSA-N -1 0 339.432 3.653 20 0 EHADRM Cc1nc(C2CC2)ccc1C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000910296954 981850694 /nfs/dbraw/zinc/85/06/94/981850694.db2.gz SNAAVZJKULZFEQ-DLBZAZTESA-N -1 0 336.391 3.708 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)OCc1cccc(Cl)c1 ZINC001594793579 981865461 /nfs/dbraw/zinc/86/54/61/981865461.db2.gz UZIQIKGUTFOJFV-KRWDZBQOSA-N -1 0 339.819 3.942 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3CCC[C@H](C4CCC4)CC3)(CC1)CC2 ZINC000910313972 981868315 /nfs/dbraw/zinc/86/83/15/981868315.db2.gz KJNOTYFSYFKGEO-DZIBYMRMSA-N -1 0 333.472 3.840 20 0 EHADRM CCCCc1cc(N2CCC[C@@H]2c2nc(C(=O)[O-])c(C)s2)ncn1 ZINC000910314608 981869582 /nfs/dbraw/zinc/86/95/82/981869582.db2.gz LEPUTXBBZRYAOU-CYBMUJFWSA-N -1 0 346.456 3.624 20 0 EHADRM C[C@@H](C(=O)N[C@@](C)(CC(=O)[O-])C1CC1)c1ccc2ccccc2c1 ZINC000910319647 981872187 /nfs/dbraw/zinc/87/21/87/981872187.db2.gz UUWHETDXWJCCPS-XCLFUZPHSA-N -1 0 325.408 3.703 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)C2(C3CCCCC3)CC2)c2ccccc21 ZINC000910361012 981890993 /nfs/dbraw/zinc/89/09/93/981890993.db2.gz OIFKIWQBQGBQDP-CQSZACIVSA-N -1 0 327.424 3.952 20 0 EHADRM CCC(C)(C)c1ccc(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC001594814219 981936994 /nfs/dbraw/zinc/93/69/94/981936994.db2.gz JACPPVRXWJFXET-SFHVURJKSA-N -1 0 339.435 3.972 20 0 EHADRM CCC(C)(C)c1ccc(CNC(=O)/C=C/c2cc(C(=O)[O-])co2)cc1 ZINC001594814630 981940271 /nfs/dbraw/zinc/94/02/71/981940271.db2.gz SLVWJKXKDZLWAC-MDZDMXLPSA-N -1 0 341.407 3.995 20 0 EHADRM C[C@H](CC(=O)N1CCc2cc(C(=O)[O-])ccc2C1)c1ccccc1F ZINC000910497473 981963737 /nfs/dbraw/zinc/96/37/37/981963737.db2.gz FRIFBBRDONOIAE-CYBMUJFWSA-N -1 0 341.382 3.602 20 0 EHADRM Cc1cc(C)cc(CCC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)c1 ZINC000910499792 981965870 /nfs/dbraw/zinc/96/58/70/981965870.db2.gz XPYHOGDAPJZPAX-UHFFFAOYSA-N -1 0 337.419 3.519 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1c(C)c(C)sc1Br ZINC001594821247 981969649 /nfs/dbraw/zinc/96/96/49/981969649.db2.gz SULTXVNVAKCABO-ZDUSSCGKSA-N -1 0 348.262 3.501 20 0 EHADRM CCCC[C@H](Nc1ccc(NC(=O)CC(F)(F)F)cc1)C(=O)[O-] ZINC001595644785 981981316 /nfs/dbraw/zinc/98/13/16/981981316.db2.gz CWKJCZRAYSRDMF-LBPRGKRZSA-N -1 0 332.322 3.633 20 0 EHADRM CCCC[C@@H](OC(=O)c1ccc(Oc2ccccc2)nc1)C(=O)[O-] ZINC001595646202 981997891 /nfs/dbraw/zinc/99/78/91/981997891.db2.gz ZSDYGIGDJVSVGA-OAHLLOKOSA-N -1 0 329.352 3.674 20 0 EHADRM CCCC[C@@H](S[C@@H](C)C(=O)N1CCCc2ccccc21)C(=O)[O-] ZINC001595650975 982015474 /nfs/dbraw/zinc/01/54/74/982015474.db2.gz AORMPBFHKNKCCJ-XJKSGUPXSA-N -1 0 335.469 3.731 20 0 EHADRM CCCC[C@H](S[C@@H](C)C(=O)NCc1ccccc1Cl)C(=O)[O-] ZINC001595650987 982015514 /nfs/dbraw/zinc/01/55/14/982015514.db2.gz ARTHNBSUMFHHJI-FZMZJTMJSA-N -1 0 343.876 3.721 20 0 EHADRM CN(CCC1CC1)C(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000154003974 1014791430 /nfs/dbraw/zinc/79/14/30/1014791430.db2.gz LIYUWKSZOJNNMM-UHFFFAOYSA-N -1 0 332.625 3.680 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)C1CCC(F)(F)CC1 ZINC000910621768 982028289 /nfs/dbraw/zinc/02/82/89/982028289.db2.gz VZJDWJJFWAZOLR-UHFFFAOYSA-N -1 0 327.327 3.548 20 0 EHADRM CCCC[C@@H](OC(=O)c1csc(-c2cccs2)n1)C(=O)[O-] ZINC001595652319 982033411 /nfs/dbraw/zinc/03/34/11/982033411.db2.gz SGTPSCNUZULIHA-SNVBAGLBSA-N -1 0 325.411 3.672 20 0 EHADRM CCC[C@H]1CCc2nc(NC(=O)c3ccoc3CC(=O)[O-])sc2C1 ZINC000910629202 982033836 /nfs/dbraw/zinc/03/38/36/982033836.db2.gz RLSUARHGFONITN-JTQLQIEISA-N -1 0 348.424 3.521 20 0 EHADRM CCCC[C@@H](S[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1)C(=O)[O-] ZINC001595652679 982036160 /nfs/dbraw/zinc/03/61/60/982036160.db2.gz WFVWDQCKLJWVAO-SWLSCSKDSA-N -1 0 337.441 3.593 20 0 EHADRM Cc1c(NC(=O)CC2(CC(=O)[O-])CCCC2)cnn1C1CCCC1 ZINC000910654421 982042682 /nfs/dbraw/zinc/04/26/82/982042682.db2.gz AURVRLWXFWJAOI-UHFFFAOYSA-N -1 0 333.432 3.670 20 0 EHADRM CC(C)c1c(NC(=O)[C@@H](C)CC(=O)[O-])cnn1-c1ccccc1Cl ZINC000910656256 982043974 /nfs/dbraw/zinc/04/39/74/982043974.db2.gz KBFCPSZQHDESRZ-NSHDSACASA-N -1 0 349.818 3.698 20 0 EHADRM Cc1ccnc(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)c1C1CC1 ZINC000910681788 982058843 /nfs/dbraw/zinc/05/88/43/982058843.db2.gz DIRLUHZHLTWICI-UHFFFAOYSA-N -1 0 349.390 3.559 20 0 EHADRM CCCC[C@H]1CCC[C@H]1NC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001595661204 982075231 /nfs/dbraw/zinc/07/52/31/982075231.db2.gz RHGFNIDBLFEVPR-DOTOQJQBSA-N -1 0 332.444 3.585 20 0 EHADRM CCCCCC(C)(C)C(=O)N1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001595662405 982079048 /nfs/dbraw/zinc/07/90/48/982079048.db2.gz COIJXGXNCUDVPM-UHFFFAOYSA-N -1 0 336.432 3.685 20 0 EHADRM CCCCCC(=O)Nc1ccc(Br)c(C(=O)[O-])c1C ZINC001595662721 982081249 /nfs/dbraw/zinc/08/12/49/982081249.db2.gz JPBJAKMEOBIZRM-UHFFFAOYSA-N -1 0 328.206 3.975 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910730904 982092895 /nfs/dbraw/zinc/09/28/95/982092895.db2.gz DRRPRSJJCNALTD-SECBINFHSA-N -1 0 348.399 3.675 20 0 EHADRM C[C@@H](CC(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)c1ccc(F)cc1 ZINC000910734368 982096258 /nfs/dbraw/zinc/09/62/58/982096258.db2.gz TUQVNICHWGMLKN-VIFPVBQESA-N -1 0 348.399 3.990 20 0 EHADRM O=C([O-])c1nc(NC(=O)CCCc2cccs2)sc1C1CC1 ZINC000910736705 982099441 /nfs/dbraw/zinc/09/94/41/982099441.db2.gz NVYBHOJZKBMHIZ-UHFFFAOYSA-N -1 0 336.438 3.742 20 0 EHADRM CCCCC[C@H](CC)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)[O-] ZINC001595669492 982114173 /nfs/dbraw/zinc/11/41/73/982114173.db2.gz IMAZLUVYSVIMEH-LBPRGKRZSA-N -1 0 335.400 3.716 20 0 EHADRM CCCCC[C@H](CC)C(=O)N1c2c(cccc2C(=O)[O-])NC(=O)[C@@H]1C ZINC001595671007 982122521 /nfs/dbraw/zinc/12/25/21/982122521.db2.gz XDWDJVORRJQGLO-STQMWFEESA-N -1 0 346.427 3.665 20 0 EHADRM CCCCC[C@@H](NC(=O)Cc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC001595672098 982129453 /nfs/dbraw/zinc/12/94/53/982129453.db2.gz DRDDZKBZUAOTOI-CYBMUJFWSA-N -1 0 332.227 3.686 20 0 EHADRM CC(C)(CNC(=O)CCCCc1nc2ccccc2s1)CC(=O)[O-] ZINC000910824120 982140072 /nfs/dbraw/zinc/14/00/72/982140072.db2.gz LUTBNOCLXHQWJZ-UHFFFAOYSA-N -1 0 348.468 3.626 20 0 EHADRM CCCCC[C@@H](NC(=O)Nc1nn(C)cc1C(=O)[O-])c1ccccc1 ZINC001595673381 982141965 /nfs/dbraw/zinc/14/19/65/982141965.db2.gz WBUMUMOVYLYCQX-OAHLLOKOSA-N -1 0 344.415 3.561 20 0 EHADRM CCCCC[C@@H](NC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)C(C)(C)C ZINC001595673481 982143033 /nfs/dbraw/zinc/14/30/33/982143033.db2.gz ZRUFBVTXJZJLTA-KHYOSLBOSA-N -1 0 338.492 3.878 20 0 EHADRM CC/C(C)=C(\C)C(=O)Oc1ccc(C(=O)[O-])cc1Br ZINC001594861333 982146224 /nfs/dbraw/zinc/14/62/24/982146224.db2.gz XVWGWLJGIHUVCR-CMDGGOBGSA-N -1 0 327.174 3.799 20 0 EHADRM C[C@@H](c1ccc(C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)cc1)C(F)(F)F ZINC000910857811 982147301 /nfs/dbraw/zinc/14/73/01/982147301.db2.gz KAMPHFHXVHCYSK-UHIISALHSA-N -1 0 343.345 3.535 20 0 EHADRM CCCCC[C@@H](NC(=O)c1sc2ccc(OC)cc2c1C)C(=O)[O-] ZINC001595681519 982162183 /nfs/dbraw/zinc/16/21/83/982162183.db2.gz RADZVIJBCLDNDR-CQSZACIVSA-N -1 0 349.452 3.982 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)Nc1cc(C)c(C(=O)[O-])cn1)c1ccccc1 ZINC001594865507 982167680 /nfs/dbraw/zinc/16/76/80/982167680.db2.gz IJLGFQSGNWIUBE-YVEFUNNKSA-N -1 0 326.396 3.857 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1ccccc1COC(C)(C)C ZINC000910944421 982170924 /nfs/dbraw/zinc/17/09/24/982170924.db2.gz MGIAELCWESFIEK-UHFFFAOYSA-N -1 0 331.368 3.854 20 0 EHADRM CSc1ccc(NC(=O)c2c(C)noc2C2CC2)cc1C(=O)[O-] ZINC000910948145 982172675 /nfs/dbraw/zinc/17/26/75/982172675.db2.gz VGAJIALAIUUVKX-UHFFFAOYSA-N -1 0 332.381 3.533 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)C[C@](O)(CC)c1ccccc1 ZINC000910958911 982177825 /nfs/dbraw/zinc/17/78/25/982177825.db2.gz MYZGDUMEFPMFBQ-HXUWFJFHSA-N -1 0 341.407 3.574 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)CCc1cccc(OC)c1F ZINC000910966415 982180038 /nfs/dbraw/zinc/18/00/38/982180038.db2.gz RXXWBZVQDKGMMV-UHFFFAOYSA-N -1 0 345.370 3.666 20 0 EHADRM CCC1(C(=O)N2CC[C@H](c3ncc(C(=O)[O-])s3)C2)CCCCC1 ZINC000911049238 982213148 /nfs/dbraw/zinc/21/31/48/982213148.db2.gz XXWLCNBSLCDASJ-LBPRGKRZSA-N -1 0 336.457 3.518 20 0 EHADRM CCCCCC[C@@](C)(CCC)C(=O)N1CCc2[nH]nc(C(=O)[O-])c2C1 ZINC001595694758 982213324 /nfs/dbraw/zinc/21/33/24/982213324.db2.gz HFTMFWLXUQKRPF-LJQANCHMSA-N -1 0 349.475 3.769 20 0 EHADRM CCCCCC[C@@H](CC)C(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001595698624 982252888 /nfs/dbraw/zinc/25/28/88/982252888.db2.gz SISLHYDWDIANEG-KGLIPLIRSA-N -1 0 335.448 3.529 20 0 EHADRM CCCCCC[C@@H](CC)C(=O)N1CCc2ccc(C(=O)[O-])nc2C1 ZINC001595699181 982256098 /nfs/dbraw/zinc/25/60/98/982256098.db2.gz XPELBHCTMGBMQE-CQSZACIVSA-N -1 0 332.444 3.661 20 0 EHADRM O=C([O-])C12CCC(C(=O)Nc3cc(Cl)c([O-])c(Cl)c3)(CC1)C2 ZINC000911155737 982262228 /nfs/dbraw/zinc/26/22/28/982262228.db2.gz TZJRAPNXIPKAHQ-UHFFFAOYSA-N -1 0 344.194 3.673 20 0 EHADRM CCCCCN(CCCOC)c1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001595716397 982322283 /nfs/dbraw/zinc/32/22/83/982322283.db2.gz ZEIQWOBTWPLNBI-UHFFFAOYSA-N -1 0 348.365 3.832 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](c2ncccc2C)C(C)C)cc1C(=O)[O-] ZINC000911374028 982391185 /nfs/dbraw/zinc/39/11/85/982391185.db2.gz KWQLQERUBREQSB-MRXNPFEDSA-N -1 0 326.396 3.524 20 0 EHADRM CC[C@H](c1ccncc1)N(CC)C(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000911416824 982423018 /nfs/dbraw/zinc/42/30/18/982423018.db2.gz UDGGHPBRPTVBNV-QGZVFWFLSA-N -1 0 326.396 3.702 20 0 EHADRM CCCCO[C@H](C)C(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001595766130 982495263 /nfs/dbraw/zinc/49/52/63/982495263.db2.gz XHLAOYUNMDQABB-ZWNOBZJWSA-N -1 0 348.317 3.737 20 0 EHADRM CC[C@H](C)[C@H](Sc1nnc2n1c1ccccc1n2C(C)C)C(=O)[O-] ZINC001594928924 982543983 /nfs/dbraw/zinc/54/39/83/982543983.db2.gz PLFVSNFYHGWJGM-FZMZJTMJSA-N -1 0 346.456 3.856 20 0 EHADRM CC[C@@H](C)C[C@@H](C)NC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001594933851 982573566 /nfs/dbraw/zinc/57/35/66/982573566.db2.gz AMGWUMQIWKCEIW-NXEZZACHSA-N -1 0 342.233 3.702 20 0 EHADRM CCCCS[C@@H](C)C(=O)N1CCCc2c(C(=O)[O-])ccc(C)c21 ZINC001595786335 982575462 /nfs/dbraw/zinc/57/54/62/982575462.db2.gz SYQAHVFPBMDOIC-ZDUSSCGKSA-N -1 0 335.469 3.894 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N1CCC[C@H](CC(F)(F)F)C1 ZINC000911656253 982586201 /nfs/dbraw/zinc/58/62/01/982586201.db2.gz RKVXZRJFACEJTM-GFCCVEGCSA-N -1 0 343.345 3.508 20 0 EHADRM CCCCSCCC(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC001595788906 982586701 /nfs/dbraw/zinc/58/67/01/982586701.db2.gz HRUYNLQKEVEWOQ-UHFFFAOYSA-N -1 0 327.421 3.557 20 0 EHADRM CCCCSCCC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC001595789268 982587722 /nfs/dbraw/zinc/58/77/22/982587722.db2.gz SKWXKWXHYIMXGP-UHFFFAOYSA-N -1 0 343.876 3.677 20 0 EHADRM CCCCS[C@H](C)C(=O)Nc1nc(C(C)C)c(C(=O)[O-])s1 ZINC001595789077 982587887 /nfs/dbraw/zinc/58/78/87/982587887.db2.gz MMMMVSVKOILCID-SECBINFHSA-N -1 0 330.475 3.825 20 0 EHADRM CCCCc1ccc([C@@H](NC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C(C)C)cc1 ZINC001595793130 982594755 /nfs/dbraw/zinc/59/47/55/982594755.db2.gz FHTWILSXUSXVSB-KSZLIROESA-N -1 0 331.456 3.953 20 0 EHADRM CCCCc1ccc([C@H](NC(=O)N2CC[C@H](C(=O)[O-])C2)C(C)C)cc1 ZINC001595794020 982597861 /nfs/dbraw/zinc/59/78/61/982597861.db2.gz VJDYBVRLEWJEBP-ZWKOTPCHSA-N -1 0 346.471 3.842 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NC23CCC(C(F)(F)F)(CC2)CC3)C1 ZINC000911696392 982603225 /nfs/dbraw/zinc/60/32/25/982603225.db2.gz CVHVHQFRMHBKMQ-YNQUZJHLSA-N -1 0 347.377 3.649 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)CCOc1cc(C)ccc1C(C)C)C(=O)[O-] ZINC001594937930 982603479 /nfs/dbraw/zinc/60/34/79/982603479.db2.gz BOHSTYVIDYKOEU-WMLDXEAASA-N -1 0 349.471 3.893 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000911716579 982610252 /nfs/dbraw/zinc/61/02/52/982610252.db2.gz BEFGPQUHTPIHNT-JCNLHEQBSA-N -1 0 343.810 3.643 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)CCCOc1ccccc1Cl)C(=O)[O-] ZINC001594939520 982610498 /nfs/dbraw/zinc/61/04/98/982610498.db2.gz TYYJVXWHUMCFGW-OCCSQVGLSA-N -1 0 341.835 3.505 20 0 EHADRM O=C([O-])c1cc(NC(=O)C2(c3cccc(F)c3)CCC2)ccc1F ZINC000914728966 982653348 /nfs/dbraw/zinc/65/33/48/982653348.db2.gz FTNFXSXMYCZAAX-UHFFFAOYSA-N -1 0 331.318 3.723 20 0 EHADRM CC[C@@H](C)C[C@@H](Nc1nc(-c2cc(F)cc(F)c2)ns1)C(=O)[O-] ZINC001594952096 982663634 /nfs/dbraw/zinc/66/36/34/982663634.db2.gz FTGMPIWCEZVTOH-PRHODGIISA-N -1 0 341.383 3.785 20 0 EHADRM CCCN(C(=O)Nc1nn(C)cc1C(=O)[O-])[C@@H](CC)c1ccccc1 ZINC001595820554 982686301 /nfs/dbraw/zinc/68/63/01/982686301.db2.gz CZEKVBSDWZZZKP-HNNXBMFYSA-N -1 0 344.415 3.514 20 0 EHADRM CC[C@@H](C)CCCCC(=O)Oc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001594958638 982700135 /nfs/dbraw/zinc/70/01/35/982700135.db2.gz DXNPEBURJYXOJF-GFCCVEGCSA-N -1 0 336.384 3.683 20 0 EHADRM CC[C@@H](C)CCCCC(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001594959070 982703101 /nfs/dbraw/zinc/70/31/01/982703101.db2.gz JVTDLZQMGOZXNJ-GBRKPNRJSA-N -1 0 341.517 3.838 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)Nc1cc(C(=O)[O-])sc1C ZINC000923088844 982715656 /nfs/dbraw/zinc/71/56/56/982715656.db2.gz BSTODDRHCPFSQF-SNVBAGLBSA-N -1 0 333.409 3.896 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)CCC(=O)c1ccc(C)c(C)c1 ZINC000923088476 982715938 /nfs/dbraw/zinc/71/59/38/982715938.db2.gz PTRFGDNVKMMVLR-UHFFFAOYSA-N -1 0 345.420 3.973 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)c1ccn(C2CCCCC2)n1 ZINC000923093900 982718924 /nfs/dbraw/zinc/71/89/24/982718924.db2.gz CPWLFBIWCMZISP-UHFFFAOYSA-N -1 0 333.413 3.709 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)c2ccsc2C(F)F)c2ccccc21 ZINC000923101979 982725070 /nfs/dbraw/zinc/72/50/70/982725070.db2.gz INBXFDRNAXQWNA-SECBINFHSA-N -1 0 337.347 3.904 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1 ZINC001595846439 982772617 /nfs/dbraw/zinc/77/26/17/982772617.db2.gz ADJRWCOKHIRWEZ-NTMALXAHSA-N -1 0 347.411 3.891 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC001594981880 982775461 /nfs/dbraw/zinc/77/54/61/982775461.db2.gz KWEHKRCFNWRVBE-VIFPVBQESA-N -1 0 330.306 3.532 20 0 EHADRM CC(C)[C@H]1C[C@@H](CC(=O)Nc2cc(F)cc(Cl)c2[O-])CCO1 ZINC000274757753 1014871936 /nfs/dbraw/zinc/87/19/36/1014871936.db2.gz YDUZBVSDJGVGCG-IINYFYTJSA-N -1 0 329.799 3.965 20 0 EHADRM CCCN(CC)c1ccc(C(=O)Nc2ccc(C(=O)[O-])c(O)c2)cc1 ZINC001595868745 982842371 /nfs/dbraw/zinc/84/23/71/982842371.db2.gz CUHXWSJTOXCSCW-UHFFFAOYSA-N -1 0 342.395 3.579 20 0 EHADRM Cc1nc(C2CC2)ccc1C(=O)NC1(CCC(=O)[O-])CCCCC1 ZINC000923216953 982849265 /nfs/dbraw/zinc/84/92/65/982849265.db2.gz CMYPCIYFFZXENI-UHFFFAOYSA-N -1 0 330.428 3.565 20 0 EHADRM CC[C@H](C)OCC(=O)Nc1cc(-c2ccccc2)sc1C(=O)[O-] ZINC001594995072 982887057 /nfs/dbraw/zinc/88/70/57/982887057.db2.gz RFJDFHRMSBAXDJ-NSHDSACASA-N -1 0 333.409 3.867 20 0 EHADRM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)c1cc(C(=O)[O-])oc1C ZINC001594996239 982899014 /nfs/dbraw/zinc/89/90/14/982899014.db2.gz GGKRIRMVJTUJFZ-LBPRGKRZSA-N -1 0 345.395 3.702 20 0 EHADRM CC[C@H](C)Oc1cc(-c2noc([C@H]3CCC[C@@H](C(=O)[O-])C3)n2)ccn1 ZINC001594996743 982902156 /nfs/dbraw/zinc/90/21/56/982902156.db2.gz OWOWWTUWDSYFDP-FPMFFAJLSA-N -1 0 345.399 3.667 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)N1CC[C@H](C)C[C@H]1C(=O)[O-] ZINC001595004175 982916592 /nfs/dbraw/zinc/91/65/92/982916592.db2.gz HXKCLYXKAFFGQC-FBCBSSEOSA-N -1 0 345.439 3.589 20 0 EHADRM CC[C@H](C)Oc1ccc(NC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])cc1 ZINC001595009775 982936585 /nfs/dbraw/zinc/93/65/85/982936585.db2.gz YWGFGXGRCMCMCC-HEHGZKQESA-N -1 0 334.416 3.629 20 0 EHADRM CC[C@@H](C)c1ccc([C@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C(C)C)cc1 ZINC001595010379 982939581 /nfs/dbraw/zinc/93/95/81/982939581.db2.gz PNXFPISFGMLQPT-NKGKWGDASA-N -1 0 347.455 3.646 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)N[C@@H](CC(=O)[O-])C1CCCC1 ZINC001595013578 982948864 /nfs/dbraw/zinc/94/88/64/982948864.db2.gz JWZWDMZPZWTKEV-PBHICJAKSA-N -1 0 347.455 3.729 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)N[C@@H](CC(C)(C)C)C(=O)[O-] ZINC001595013935 982950182 /nfs/dbraw/zinc/95/01/82/982950182.db2.gz OFRMQROSWBGZHG-HIFRSBDPSA-N -1 0 335.444 3.585 20 0 EHADRM Cc1cc2scc(CC(=O)NCc3cc(C(=O)[O-])c(C)o3)c2s1 ZINC001119578442 982990078 /nfs/dbraw/zinc/99/00/78/982990078.db2.gz ZNBSVYSVKBWMSY-UHFFFAOYSA-N -1 0 349.433 3.730 20 0 EHADRM CCCOc1ccc(CCC(=O)N[C@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001595954162 983135270 /nfs/dbraw/zinc/13/52/70/983135270.db2.gz FBHPZUKRRMUURA-IBGZPJMESA-N -1 0 347.455 3.558 20 0 EHADRM CCCOc1ccc(NC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)cc1C ZINC001595961022 983156049 /nfs/dbraw/zinc/15/60/49/983156049.db2.gz QXIMXYQZQRZQDT-UHFFFAOYSA-N -1 0 330.384 3.679 20 0 EHADRM CCCOc1ccc(OCC(=O)Nc2cc(C)c(C(=O)[O-])s2)cc1 ZINC001595966061 983170787 /nfs/dbraw/zinc/17/07/87/983170787.db2.gz AALYMPLZWYRMTC-UHFFFAOYSA-N -1 0 349.408 3.561 20 0 EHADRM CCCc1c(C(=O)N[C@@H](CC)Cc2ccccc2)[nH]c(C)c1C(=O)[O-] ZINC001596036972 983316598 /nfs/dbraw/zinc/31/65/98/983316598.db2.gz WTJPPRZIBXXBJO-HNNXBMFYSA-N -1 0 342.439 3.725 20 0 EHADRM CCCc1c(C(=O)NC[C@H]2CCCC[C@H]2CC)[nH]c(C)c1C(=O)[O-] ZINC001596038062 983326190 /nfs/dbraw/zinc/32/61/90/983326190.db2.gz WRDQTJWLMOMURU-ZIAGYGMSSA-N -1 0 334.460 3.920 20 0 EHADRM CCCc1c(C(=O)OCc2coc(C(C)(C)C)n2)[nH]c(C)c1C(=O)[O-] ZINC001596048953 983347506 /nfs/dbraw/zinc/34/75/06/983347506.db2.gz ZCLKGWDEOYONKI-UHFFFAOYSA-N -1 0 348.399 3.616 20 0 EHADRM CCCc1cc(C(=O)Nc2cc(C)c(C(=O)[O-])cn2)ccc1Cl ZINC001596056993 983362850 /nfs/dbraw/zinc/36/28/50/983362850.db2.gz RKBPJVXZSSQCRO-UHFFFAOYSA-N -1 0 332.787 3.946 20 0 EHADRM CCCn1cc(N[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)cn1 ZINC001596115890 983446036 /nfs/dbraw/zinc/44/60/36/983446036.db2.gz MIPQUNSBKBGWLK-CYBMUJFWSA-N -1 0 328.199 3.838 20 0 EHADRM CCN(C(=O)[C@@H](C)OCc1cccc(C)c1)c1ccccc1C(=O)[O-] ZINC001596131552 983479033 /nfs/dbraw/zinc/47/90/33/983479033.db2.gz OOFRBDAOGXEGMH-OAHLLOKOSA-N -1 0 341.407 3.651 20 0 EHADRM CCN(C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1)C(C)(C)C(=O)[O-] ZINC001596134090 983483326 /nfs/dbraw/zinc/48/33/26/983483326.db2.gz SCRJLMYLQIMBPU-LLVKDONJSA-N -1 0 345.361 3.911 20 0 EHADRM CCN(C(=O)Nc1cc(-c2ccncc2)sc1C(=O)[O-])C1CC1 ZINC001596150788 983510793 /nfs/dbraw/zinc/51/07/93/983510793.db2.gz OSEXFRKVWAANHP-UHFFFAOYSA-N -1 0 331.397 3.525 20 0 EHADRM CCN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC001596157214 983518091 /nfs/dbraw/zinc/51/80/91/983518091.db2.gz ZISZFAGTCMDQFS-WDEREUQCSA-N -1 0 329.318 3.559 20 0 EHADRM CCN(C(=O)c1cccc2scnc21)c1ccccc1C(=O)[O-] ZINC001596170318 983535175 /nfs/dbraw/zinc/53/51/75/983535175.db2.gz AALUEYAPFBQDRP-UHFFFAOYSA-N -1 0 326.377 3.661 20 0 EHADRM CCN(C(=O)c1cccc(OC(C)(C)C)n1)c1ccccc1C(=O)[O-] ZINC001596171167 983537134 /nfs/dbraw/zinc/53/71/34/983537134.db2.gz XSUANHICLOXUNP-UHFFFAOYSA-N -1 0 342.395 3.624 20 0 EHADRM CCN(CC(=O)c1cc(C(=O)[O-])[nH]c1C)c1ccc(Cl)c(F)c1 ZINC001596228728 983620463 /nfs/dbraw/zinc/62/04/63/983620463.db2.gz RJHSPECXAIHREM-UHFFFAOYSA-N -1 0 338.766 3.523 20 0 EHADRM CCN(CC)[C@H](C(=O)O[C@H](C)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC001596254014 983660187 /nfs/dbraw/zinc/66/01/87/983660187.db2.gz WUOUUASXGZWWMA-DYVFJYSZSA-N -1 0 345.395 3.665 20 0 EHADRM CCN(CC1CCC1)C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001596294058 983714304 /nfs/dbraw/zinc/71/43/04/983714304.db2.gz CEJSYWFVKSCBGQ-UHFFFAOYSA-N -1 0 334.416 3.826 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)CCCOc1ccc(C(C)(C)C)cc1C ZINC001596305516 983732353 /nfs/dbraw/zinc/73/23/53/983732353.db2.gz DJDMZTUFDKXTQL-UHFFFAOYSA-N -1 0 349.471 3.775 20 0 EHADRM CCN(CCc1ccc(C(F)(F)F)cc1)C(=O)C[C@@H](C)CC(=O)[O-] ZINC001596348018 983801690 /nfs/dbraw/zinc/80/16/90/983801690.db2.gz YLTFEQLAGYEYLT-GFCCVEGCSA-N -1 0 345.361 3.597 20 0 EHADRM CCN(Cc1c(F)cccc1F)c1ncc(C(=O)[O-])cc1Cl ZINC001596354593 983820944 /nfs/dbraw/zinc/82/09/44/983820944.db2.gz ZKLUCXQUXFSROS-UHFFFAOYSA-N -1 0 326.730 3.738 20 0 EHADRM CCN(Cc1ccc(C(=O)[O-])c2cccnc12)c1cccc(OC)c1 ZINC001596357646 983830025 /nfs/dbraw/zinc/83/00/25/983830025.db2.gz NOTXCZLIHYZFBH-UHFFFAOYSA-N -1 0 336.391 3.968 20 0 EHADRM CCNC(=O)Nc1cccc(NC2CCC(CC(=O)[O-])CC2)c1C ZINC001596473467 984201724 /nfs/dbraw/zinc/20/17/24/984201724.db2.gz SOWQIHZLAWGHIA-UHFFFAOYSA-N -1 0 333.432 3.582 20 0 EHADRM O=C(Nc1cccc(N2CCCCC2)c1)c1c([O-])cc(F)cc1F ZINC000066050711 1015021209 /nfs/dbraw/zinc/02/12/09/1015021209.db2.gz DYUGUZUGGCOSOC-UHFFFAOYSA-N -1 0 332.350 3.913 20 0 EHADRM CC(C)CS(=O)(=O)[N-]C(=O)[C@H](Sc1ccccc1)C(C)C ZINC000066232151 1015026209 /nfs/dbraw/zinc/02/62/09/1015026209.db2.gz IITVJGBNKDCZBT-CQSZACIVSA-N -1 0 329.487 3.746 20 0 EHADRM C=Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cnc2C(=O)[O-])cc1 ZINC001588920050 984575687 /nfs/dbraw/zinc/57/56/87/984575687.db2.gz TZFLFGLVRPJQFR-UHFFFAOYSA-N -1 0 336.269 3.694 20 0 EHADRM C/C(=C(/F)C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1)C1CC1 ZINC001588933252 984611739 /nfs/dbraw/zinc/61/17/39/984611739.db2.gz QSYOBLVMPBLJSD-GRRFOWRYSA-N -1 0 325.767 3.626 20 0 EHADRM C/C(=C/C(=O)N[C@H](CC1CCCCC1)C(=O)[O-])c1ccc(F)cc1 ZINC001588938300 984621029 /nfs/dbraw/zinc/62/10/29/984621029.db2.gz AMXFPYJOTHKPCY-QAAVPBIRSA-N -1 0 333.403 3.769 20 0 EHADRM C/C(=C\C(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1)c1cccs1 ZINC001588938509 984622533 /nfs/dbraw/zinc/62/25/33/984622533.db2.gz CDADTMAXHLXNDM-SOGBHIHOSA-N -1 0 333.384 3.541 20 0 EHADRM C/C(=C\C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1)c1ccc(F)cc1 ZINC001588938963 984625853 /nfs/dbraw/zinc/62/58/53/984625853.db2.gz OJQKPBUXNZAXKD-MLFXKNMZSA-N -1 0 333.403 3.626 20 0 EHADRM C/C(=C\C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)c1cccc(Cl)c1 ZINC001588940196 984633471 /nfs/dbraw/zinc/63/34/71/984633471.db2.gz ZHZFLUVMMVVSLF-FFQUPGJUSA-N -1 0 347.842 3.847 20 0 EHADRM C/C(=C\C(=O)Nc1ncc(C(=O)[O-])c2ccccc12)c1ccccc1 ZINC001588947502 984660237 /nfs/dbraw/zinc/66/02/37/984660237.db2.gz YLSXSISMBKNXPR-ACCUITESSA-N -1 0 332.359 3.975 20 0 EHADRM C[C@H](CC1CCCCC1)NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001599890751 984691203 /nfs/dbraw/zinc/69/12/03/984691203.db2.gz ATYMGIDUKHRQOX-CYBMUJFWSA-N -1 0 342.439 3.884 20 0 EHADRM C/C(=C/C(=O)OCc1csc(-c2ccc(C(=O)[O-])cc2)n1)C1CC1 ZINC001588953651 984697522 /nfs/dbraw/zinc/69/75/22/984697522.db2.gz YCOWOELNPQKXKM-FLIBITNWSA-N -1 0 343.404 3.908 20 0 EHADRM C/C(=C\C(C)(C)C)C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001588956684 984707817 /nfs/dbraw/zinc/70/78/17/984707817.db2.gz XXXQELAVYWGRMA-OUKQBFOZSA-N -1 0 330.428 3.916 20 0 EHADRM C[C@H](NC(=O)/C=C/c1cc(C(=O)[O-])co1)c1cc2ccccc2o1 ZINC001599893034 984719432 /nfs/dbraw/zinc/71/94/32/984719432.db2.gz VSHLCNVAGDCNRM-MLRMMBSGSA-N -1 0 325.320 3.615 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001588998390 984934925 /nfs/dbraw/zinc/93/49/25/984934925.db2.gz KHXPXYKXSFTLBE-NJBZPOFQSA-N -1 0 333.403 3.769 20 0 EHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)NCc1ccccc1CC(=O)[O-] ZINC001588999456 984937608 /nfs/dbraw/zinc/93/76/08/984937608.db2.gz VLFBKXJHNBKYLF-JLHYYAGUSA-N -1 0 343.810 3.687 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)c2cc(C3CC3)oc2C2CC2)(C(=O)[O-])CC1 ZINC001599907372 984941513 /nfs/dbraw/zinc/94/15/13/984941513.db2.gz QHRHERNSOVNNGD-RRNAMWOMSA-N -1 0 331.412 3.798 20 0 EHADRM CCOC(=O)c1ccc(CNc2ccc3sc(C(=O)[O-])cc3c2)[nH]1 ZINC001596719901 984959820 /nfs/dbraw/zinc/95/98/20/984959820.db2.gz ULPKSNOEIACZJG-UHFFFAOYSA-N -1 0 344.392 3.716 20 0 EHADRM C/C(=C/c1ccncc1)C(=O)Oc1cc2ccccc2cc1C(=O)[O-] ZINC001589011554 984990659 /nfs/dbraw/zinc/99/06/59/984990659.db2.gz ZWRQFFGPBFAYGV-RAXLEYEMSA-N -1 0 333.343 3.942 20 0 EHADRM CC(=O)[C@H](Cc1ccccc1)Sc1nc2ccc(C(=O)[O-])cc2o1 ZINC001589024619 985038005 /nfs/dbraw/zinc/03/80/05/985038005.db2.gz TVFIJZHLWHFIQD-INIZCTEOSA-N -1 0 341.388 3.818 20 0 EHADRM C[C@H]1CN(C(=O)N[C@H](CC2CCC2)c2ccccc2)CC[C@H]1C(=O)[O-] ZINC001599917545 985079780 /nfs/dbraw/zinc/07/97/80/985079780.db2.gz SPDQMRYHIGMWFO-BMGDILEWSA-N -1 0 344.455 3.670 20 0 EHADRM CC(=O)N(c1ccc(NCc2cc(C)c(C(=O)[O-])o2)cc1)[C@H]1C[C@H]1C ZINC001589051359 985138680 /nfs/dbraw/zinc/13/86/80/985138680.db2.gz GUWPCDBGCIWJOJ-DIFFPNOSSA-N -1 0 342.395 3.660 20 0 EHADRM CCOC1(CNc2ncc(C(=O)[O-])cc2C(F)(F)F)CCCC1 ZINC001596797047 985295534 /nfs/dbraw/zinc/29/55/34/985295534.db2.gz SMXNQLUHGNCJKH-UHFFFAOYSA-N -1 0 332.322 3.560 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cc(C(=O)[O-])cs2)CCc2ccc(F)cc21 ZINC001594477608 985500608 /nfs/dbraw/zinc/50/06/08/985500608.db2.gz JPPLWTHTEBEXGO-SNVBAGLBSA-N -1 0 348.399 3.779 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CCC1(F)F ZINC001594479568 985517425 /nfs/dbraw/zinc/51/74/25/985517425.db2.gz LTIYHYGFVZZCPT-MRVPVSSYSA-N -1 0 332.734 3.547 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)SCCc2cccs2)c(C)c1C(=O)[O-] ZINC001599948326 985567133 /nfs/dbraw/zinc/56/71/33/985567133.db2.gz MTXGROLCBGNDHH-NSHDSACASA-N -1 0 337.466 3.938 20 0 EHADRM Cc1[nH]c(C(=O)N(c2ccccc2)[C@H](C)C2CC2)c(C)c1C(=O)[O-] ZINC001599951235 985611108 /nfs/dbraw/zinc/61/11/08/985611108.db2.gz OWWGXJSIVAVRQK-CYBMUJFWSA-N -1 0 326.396 3.775 20 0 EHADRM CCOCCC1(C(=O)Nc2scc(C(=O)[O-])c2C)CCCC1 ZINC001596899228 985866245 /nfs/dbraw/zinc/86/62/45/985866245.db2.gz QMIAHKWUMZIXBV-UHFFFAOYSA-N -1 0 325.430 3.680 20 0 EHADRM Cc1nc(SCc2cccc(C(=O)[O-])n2)[nH]c1Cc1ccccc1 ZINC001599966140 985908438 /nfs/dbraw/zinc/90/84/38/985908438.db2.gz RQHXOGOGWGXPCK-UHFFFAOYSA-N -1 0 339.420 3.694 20 0 EHADRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC001599966165 985910295 /nfs/dbraw/zinc/91/02/95/985910295.db2.gz IWLSIQMUUNFHQU-FZKQIMNGSA-N -1 0 348.830 3.893 20 0 EHADRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC001599966164 985910454 /nfs/dbraw/zinc/91/04/54/985910454.db2.gz IWLSIQMUUNFHQU-ACJLOTCBSA-N -1 0 348.830 3.893 20 0 EHADRM CCc1nc([N-]S(=O)(=O)c2c(F)cccc2Cl)sc1C ZINC000153452153 1125494780 /nfs/dbraw/zinc/49/47/80/1125494780.db2.gz ITPCUJHNLCCIAG-UHFFFAOYSA-N -1 0 334.825 3.607 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])c(F)c1 ZINC001589277280 985993678 /nfs/dbraw/zinc/99/36/78/985993678.db2.gz LCUUBCQALPEJOJ-UHFFFAOYSA-N -1 0 335.718 3.632 20 0 EHADRM Cc1c(Br)cccc1CC(=O)Oc1cccc(C(=O)[O-])c1 ZINC001599972194 986026487 /nfs/dbraw/zinc/02/64/87/986026487.db2.gz AVDHEUJVHGSOLU-UHFFFAOYSA-N -1 0 349.180 3.604 20 0 EHADRM CC(=O)c1cccc(C(F)(F)F)c1OCc1ncccc1C(=O)[O-] ZINC001589309546 986080343 /nfs/dbraw/zinc/08/03/43/986080343.db2.gz PUZZPPFAEYDTMN-UHFFFAOYSA-N -1 0 339.269 3.580 20 0 EHADRM Cc1c(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])cnc2ccccc12 ZINC001599980595 986157312 /nfs/dbraw/zinc/15/73/12/986157312.db2.gz NFDJCXIDUNEYMB-GOSISDBHSA-N -1 0 340.423 3.697 20 0 EHADRM C[C@@H]1CN(Cc2ccc(C3(C(=O)[O-])CC3)cc2)c2cccc(F)c2O1 ZINC001594538965 986170159 /nfs/dbraw/zinc/17/01/59/986170159.db2.gz PWESJDRNFSRQKX-CYBMUJFWSA-N -1 0 341.382 3.729 20 0 EHADRM C[C@H]1CN(Cc2cccc(C(=O)[O-])c2Cl)Cc2ccccc2O1 ZINC001594542536 986186679 /nfs/dbraw/zinc/18/66/79/986186679.db2.gz QDONQNVWAWJETF-LBPRGKRZSA-N -1 0 331.799 3.821 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)Nc1ccnc(C(=O)[O-])n1 ZINC001599983862 986202345 /nfs/dbraw/zinc/20/23/45/986202345.db2.gz JQJRIVGHHXRLSZ-UHFFFAOYSA-N -1 0 347.330 3.635 20 0 EHADRM CCOc1c(Cl)cc(NC(=O)c2c[nH]c(C(=O)[O-])c2)cc1Cl ZINC001596987288 986265403 /nfs/dbraw/zinc/26/54/03/986265403.db2.gz SYJDSBDMSLZBTD-UHFFFAOYSA-N -1 0 343.166 3.671 20 0 EHADRM C[C@H](C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21)c1ccc(F)c(F)c1 ZINC001589345581 986279474 /nfs/dbraw/zinc/27/94/74/986279474.db2.gz BXOOZIYWONCOIK-WCQYABFASA-N -1 0 345.345 3.673 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)C[C@H]1CCCC1(F)F ZINC001597015448 986366325 /nfs/dbraw/zinc/36/63/25/986366325.db2.gz BLKHDYCIVCJSEU-LLVKDONJSA-N -1 0 327.327 3.548 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CCCC(C)(C)CC1 ZINC001597017320 986393574 /nfs/dbraw/zinc/39/35/74/986393574.db2.gz XIQVHIJZASGKOG-UHFFFAOYSA-N -1 0 334.416 3.828 20 0 EHADRM CCOc1cc(Nc2cccc(CSCCC(=O)[O-])c2)nc(C)n1 ZINC001597045056 986507319 /nfs/dbraw/zinc/50/73/19/986507319.db2.gz UPTRPVRZDNBCRH-UHFFFAOYSA-N -1 0 347.440 3.635 20 0 EHADRM CCOc1ccc(-c2noc([C@@H]3CCC[C@@H](C(=O)[O-])C3)n2)cc1F ZINC001597049859 986526285 /nfs/dbraw/zinc/52/62/85/986526285.db2.gz JYGKTNDBXGXDPU-VXGBXAGGSA-N -1 0 334.347 3.633 20 0 EHADRM CCOc1ccc(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)cn1 ZINC001597061881 986551264 /nfs/dbraw/zinc/55/12/64/986551264.db2.gz MIFDBIWZERLMKP-UHFFFAOYSA-N -1 0 336.347 3.584 20 0 EHADRM C[C@@H]1CSCC[N@@H+]([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC001594613581 986620633 /nfs/dbraw/zinc/62/06/33/986620633.db2.gz OSHRSYLXGHTYLW-TVQRCGJNSA-N -1 0 334.268 3.804 20 0 EHADRM CCOc1ccc(C2=CCN(c3nc(C(=O)[O-])c(C)s3)CC2)cc1 ZINC001597082172 986632416 /nfs/dbraw/zinc/63/24/16/986632416.db2.gz YKPQWOIWZUIPEG-UHFFFAOYSA-N -1 0 344.436 3.842 20 0 EHADRM C[C@@H]1Cc2cc(NC(=O)c3cc(C(=O)[O-])ccc3Cl)ccc2O1 ZINC001594618899 986643238 /nfs/dbraw/zinc/64/32/38/986643238.db2.gz MZMKGPGFPJQJLB-SECBINFHSA-N -1 0 331.755 3.614 20 0 EHADRM CC(C)c1sc(NC(=O)c2cccc3c2O[C@@H](C)C3)nc1C(=O)[O-] ZINC001594621872 986663150 /nfs/dbraw/zinc/66/31/50/986663150.db2.gz XYEXJHVMRCNRHH-VIFPVBQESA-N -1 0 346.408 3.540 20 0 EHADRM CC(C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1)=C1CCC1 ZINC001589438003 986760007 /nfs/dbraw/zinc/76/00/07/986760007.db2.gz IDEPPSYDBVLACA-UHFFFAOYSA-N -1 0 328.412 3.814 20 0 EHADRM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001594641249 986792464 /nfs/dbraw/zinc/79/24/64/986792464.db2.gz WLTUEGHVOHMTMV-RZGXBDKHSA-N -1 0 348.424 3.533 20 0 EHADRM C[C@@H](C(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1)C1CCC1 ZINC001589445186 986807704 /nfs/dbraw/zinc/80/77/04/986807704.db2.gz WAGGYBKJVDIQIO-LLVKDONJSA-N -1 0 344.436 3.812 20 0 EHADRM C[C@@H](C(=O)Nc1cccc2cc(C(=O)[O-])sc21)c1ccccn1 ZINC001589445036 986808023 /nfs/dbraw/zinc/80/80/23/986808023.db2.gz NFCNHOXAYXGFNX-SNVBAGLBSA-N -1 0 326.377 3.737 20 0 EHADRM C[C@@H](C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1)[C@H](C)C(C)(C)C ZINC001589445195 986808029 /nfs/dbraw/zinc/80/80/29/986808029.db2.gz WDDHLWQQIFEYBX-ZJUUUORDSA-N -1 0 326.462 3.762 20 0 EHADRM CCOc1cccc(C(=O)Nc2nc(C(C)C)c(C(=O)[O-])s2)c1 ZINC001597145979 986909227 /nfs/dbraw/zinc/90/92/27/986909227.db2.gz QTNVRYOZJAFIAX-UHFFFAOYSA-N -1 0 334.397 3.616 20 0 EHADRM CCOc1cccc(CCC(=O)Oc2cc(C(=O)[O-])cc(F)c2C)c1 ZINC001597153209 986935844 /nfs/dbraw/zinc/93/58/44/986935844.db2.gz FLBIYEWPHUELEZ-UHFFFAOYSA-N -1 0 346.354 3.769 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)[C@H](c1ccncc1)C1CCCCC1)C1CCC1 ZINC001589469807 986947846 /nfs/dbraw/zinc/94/78/46/986947846.db2.gz YXGNKFOZLWOVRN-KSSFIOAISA-N -1 0 344.455 3.600 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)c1ccc([C@H](C)C(F)(F)F)cc1)C1CCC1 ZINC001589476582 986975685 /nfs/dbraw/zinc/97/56/85/986975685.db2.gz CJJSEPDLUBVKSJ-WDEREUQCSA-N -1 0 343.345 3.820 20 0 EHADRM CCOc1cccc2cc([C@H](C)NCc3nc(C(=O)[O-])cs3)oc21 ZINC001597164823 986982108 /nfs/dbraw/zinc/98/21/08/986982108.db2.gz JBKSFPSYHAUXHL-JTQLQIEISA-N -1 0 346.408 3.837 20 0 EHADRM C/C=C/C[C@@H]1CCCN(C(=O)Nc2cc(COC)cc(C(=O)[O-])c2)C1 ZINC001594685754 987058164 /nfs/dbraw/zinc/05/81/64/987058164.db2.gz GCZRVMYEMIISAG-RDFMZFSFSA-N -1 0 346.427 3.741 20 0 EHADRM C/C=C/c1ccc(OC(=O)c2cccc(CC(=O)[O-])c2)c(OC)c1 ZINC001594688728 987068944 /nfs/dbraw/zinc/06/89/44/987068944.db2.gz BKEUUPFCIDXOJO-HWKANZROSA-N -1 0 326.348 3.575 20 0 EHADRM CC/C(=C\C(=O)N[C@@](C)(CC(=O)[O-])C1CC1)c1cccc(Cl)c1 ZINC001594690802 987084240 /nfs/dbraw/zinc/08/42/40/987084240.db2.gz JGDICARTFMSWMT-KSEUIEODSA-N -1 0 335.831 3.893 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)cc1 ZINC001589501906 987101910 /nfs/dbraw/zinc/10/19/10/987101910.db2.gz ANHNWCMWYXBTAU-WCQGTBRESA-N -1 0 329.318 3.792 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N(C)C2CC(OC(C)(C)C)C2)cc1 ZINC001589504826 987116185 /nfs/dbraw/zinc/11/61/85/987116185.db2.gz NNBNIGIDBQZRJM-UWTIGNOOSA-N -1 0 348.443 3.685 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2C[C@@H](C3CC3)[C@@H]2C2CC2)cc1 ZINC001589508390 987128039 /nfs/dbraw/zinc/12/80/39/987128039.db2.gz JCSOETZFYBYUNY-GOPGUHFVSA-N -1 0 328.412 3.527 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NCC(C)(C)[C@@H]2CCCCO2)cc1 ZINC001589512537 987150922 /nfs/dbraw/zinc/15/09/22/987150922.db2.gz LJAYOWWQNBQFHX-BBRMVZONSA-N -1 0 348.443 3.592 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N[C@@H]2CCSC(C)(C)C2)cc1 ZINC001589512894 987153783 /nfs/dbraw/zinc/15/37/83/987153783.db2.gz NJPXFXSSFQOINO-SMDDNHRTSA-N -1 0 336.457 3.670 20 0 EHADRM C[C@H](C1CC1)n1cc(NC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cn1 ZINC001589513083 987154521 /nfs/dbraw/zinc/15/45/21/987154521.db2.gz YTVNFSHTGOJCSX-NWDGAFQWSA-N -1 0 342.399 3.686 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)Nc2cnn([C@H](C)C3CC3)c2)cc1 ZINC001589513085 987154546 /nfs/dbraw/zinc/15/45/46/987154546.db2.gz YTVNFSHTGOJCSX-VXGBXAGGSA-N -1 0 342.399 3.686 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2ncsc2C(F)(F)F)cc1 ZINC001589521433 987166351 /nfs/dbraw/zinc/16/63/51/987166351.db2.gz OWEMDMTWOIIPKN-SSDOTTSWSA-N -1 0 344.314 3.602 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2coc(-c3ccccc3)n2)c1 ZINC001589531077 987198917 /nfs/dbraw/zinc/19/89/17/987198917.db2.gz AJYKVMDWFLECDW-GFCCVEGCSA-N -1 0 336.347 3.782 20 0 EHADRM CC[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1)c1ccc(F)cc1 ZINC001594728289 987233961 /nfs/dbraw/zinc/23/39/61/987233961.db2.gz CXJHZIIULQFREZ-WBVHZDCISA-N -1 0 347.361 3.709 20 0 EHADRM CC[C@@H](C(=O)N[C@](C)(CC(=O)[O-])c1ccncc1)C1CCC(C)CC1 ZINC001594728673 987236367 /nfs/dbraw/zinc/23/63/67/987236367.db2.gz IMPFMNOTAVRZTM-RLFPARDHSA-N -1 0 346.471 3.740 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NCc2csc(C(F)(F)F)n2)c1 ZINC001589540408 987243211 /nfs/dbraw/zinc/24/32/11/987243211.db2.gz XGSBMQCMBYIYFM-QMMMGPOBSA-N -1 0 330.331 3.962 20 0 EHADRM CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2cc(C(=O)[O-])sc2C)C1 ZINC001597257493 987263135 /nfs/dbraw/zinc/26/31/35/987263135.db2.gz ZCACWGTWDTXKLO-MNOVXSKESA-N -1 0 342.486 3.893 20 0 EHADRM CC[C@H](C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)c1ccc(OC)cc1 ZINC001594734975 987266004 /nfs/dbraw/zinc/26/60/04/987266004.db2.gz GEDDDOPRGBVHCB-ZDUSSCGKSA-N -1 0 349.333 3.804 20 0 EHADRM CCS[C@H]1CCCCN(C(=O)Nc2ccc(C(=O)[O-])s2)C1 ZINC001597258194 987266307 /nfs/dbraw/zinc/26/63/07/987266307.db2.gz HIRBFRYKZLWXFZ-JTQLQIEISA-N -1 0 328.459 3.586 20 0 EHADRM CCSc1ccc(C(=O)OCc2cc(C(=O)[O-])ccc2C)cn1 ZINC001597271102 987317069 /nfs/dbraw/zinc/31/70/69/987317069.db2.gz VCTBLPNCEHTNHN-UHFFFAOYSA-N -1 0 331.393 3.557 20 0 EHADRM CC(C)(C(=O)NC[C@H](CC1CC1)C(=O)[O-])c1cccc2ccccc21 ZINC001589566805 987330641 /nfs/dbraw/zinc/33/06/41/987330641.db2.gz FQPVQLQPKMQEMW-INIZCTEOSA-N -1 0 339.435 3.735 20 0 EHADRM CC(C)(C(=O)NC[C@@H](CC1CC1)C(=O)[O-])c1ccc2ccccc2c1 ZINC001589566899 987331463 /nfs/dbraw/zinc/33/14/63/987331463.db2.gz JGUWDYGPHWGPNY-QGZVFWFLSA-N -1 0 339.435 3.735 20 0 EHADRM CC(C)(C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])c1cccc(Cl)c1F ZINC001589579805 987359232 /nfs/dbraw/zinc/35/92/32/987359232.db2.gz LKUXVEWRBKLQQP-GXFFZTMASA-N -1 0 341.810 3.516 20 0 EHADRM CC[C@@H](NC(=O)c1cc(F)cc(C(=O)[O-])c1)c1ccc(C)c(F)c1 ZINC001597288674 987372796 /nfs/dbraw/zinc/37/27/96/987372796.db2.gz MEVPWAQPORSGIH-MRXNPFEDSA-N -1 0 333.334 3.853 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)N(CC1CC1)C1CCC1)c1ccccc1 ZINC001589591530 987396877 /nfs/dbraw/zinc/39/68/77/987396877.db2.gz KZRRWBLYKUVVEJ-QGZVFWFLSA-N -1 0 344.455 3.813 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2c(F)ccc(F)c2Cl)C1 ZINC001589611668 987466721 /nfs/dbraw/zinc/46/67/21/987466721.db2.gz RQMKPZIXXABMQI-SECBINFHSA-N -1 0 345.773 3.581 20 0 EHADRM CC[C@H](NC(=O)c1ccccc1NCCC1=CCCCC1)C(=O)[O-] ZINC001597343456 987482233 /nfs/dbraw/zinc/48/22/33/987482233.db2.gz BALPKNSUSSGCJY-INIZCTEOSA-N -1 0 330.428 3.582 20 0 EHADRM CC(C)(C(=O)[O-])N(Cc1ccccc1)C(=O)c1cc2occc2s1 ZINC001589617211 987490404 /nfs/dbraw/zinc/49/04/04/987490404.db2.gz WFZRUCNNISKWOA-UHFFFAOYSA-N -1 0 343.404 4.000 20 0 EHADRM CCc1[nH]c(C(=O)N(C)[C@@H]2CCC[C@H]2C(C)(C)C)c(C)c1C(=O)[O-] ZINC001597354804 987499032 /nfs/dbraw/zinc/49/90/32/987499032.db2.gz QBHJGVJQVUVLRP-TZMCWYRMSA-N -1 0 334.460 3.871 20 0 EHADRM CCc1[nH]c(C(=O)N(CC)[C@@H](C)c2ccc(F)cc2)c(C)c1C(=O)[O-] ZINC001597357628 987508033 /nfs/dbraw/zinc/50/80/33/987508033.db2.gz FAKNBIHSTRPIJB-LBPRGKRZSA-N -1 0 346.402 3.946 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)/C=C\COc2ccccc2)cc1 ZINC001589634109 987549576 /nfs/dbraw/zinc/54/95/76/987549576.db2.gz SIRGYHUCBNBEFK-TWGQIWQCSA-N -1 0 339.391 3.623 20 0 EHADRM CCc1[nH]c(C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)c(C)c1C(=O)[O-] ZINC001597369212 987552427 /nfs/dbraw/zinc/55/24/27/987552427.db2.gz KWNADUGWPXKYLU-KBPBESRZSA-N -1 0 332.444 3.530 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(NC(=O)N[C@@H]2CCCCC2(C)C)n1 ZINC001589655228 987613754 /nfs/dbraw/zinc/61/37/54/987613754.db2.gz UGPQFCSBKGDKST-SNVBAGLBSA-N -1 0 339.461 3.596 20 0 EHADRM CCc1c(NCc2cc(C)c(C(=O)[O-])o2)cnn1-c1cccc(C)c1 ZINC001597420218 987732439 /nfs/dbraw/zinc/73/24/39/987732439.db2.gz YJULCIMCXCDAEW-UHFFFAOYSA-N -1 0 339.395 3.955 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)Nc1cccc(CC(F)(F)F)c1 ZINC001589703438 987806863 /nfs/dbraw/zinc/80/68/63/987806863.db2.gz YEMLHFXRSAQZLU-GFCCVEGCSA-N -1 0 346.349 3.802 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2cc(Br)co2)s1 ZINC001597443258 987809018 /nfs/dbraw/zinc/80/90/18/987809018.db2.gz KUHAZNDJZWPFTL-UHFFFAOYSA-N -1 0 344.186 3.617 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2ccc3scnc3c2)s1 ZINC001597445523 987816981 /nfs/dbraw/zinc/81/69/81/987816981.db2.gz NGZRPMVRCSMLJV-UHFFFAOYSA-N -1 0 332.406 3.871 20 0 EHADRM CC(C)(C)[C@H](NC(=O)Nc1ccc(C(=O)[O-])nc1)c1ccccc1 ZINC001589716226 987857466 /nfs/dbraw/zinc/85/74/66/987857466.db2.gz LUSHIUWLCJWLIO-OAHLLOKOSA-N -1 0 327.384 3.689 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NC[C@@H]1CCCC1(F)F ZINC001597457100 987869529 /nfs/dbraw/zinc/86/95/29/987869529.db2.gz HAAYOOFYTGTDOM-LBPRGKRZSA-N -1 0 326.343 3.504 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001597457335 987872300 /nfs/dbraw/zinc/87/23/00/987872300.db2.gz JFINQGUQGHAYNF-DOTOQJQBSA-N -1 0 342.370 3.764 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC001597457336 987872507 /nfs/dbraw/zinc/87/25/07/987872507.db2.gz JFINQGUQGHAYNF-NVXWUHKLSA-N -1 0 342.370 3.764 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCC(F)(F)c1ccccc1 ZINC001597457980 987878332 /nfs/dbraw/zinc/87/83/32/987878332.db2.gz QDDORWPXLSVZRN-UHFFFAOYSA-N -1 0 348.349 3.861 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cnc(-c2ccccc2)nc1 ZINC001597464811 987899588 /nfs/dbraw/zinc/89/95/88/987899588.db2.gz QPAITEVBGUABSU-UHFFFAOYSA-N -1 0 347.374 3.657 20 0 EHADRM CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001589728314 987930172 /nfs/dbraw/zinc/93/01/72/987930172.db2.gz IQQMJDLKSKCKME-SGMXSJEJSA-N -1 0 333.428 3.960 20 0 EHADRM CCc1cc(C)cc(CC)c1NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001597471525 987935951 /nfs/dbraw/zinc/93/59/51/987935951.db2.gz QMLQBYLGGLYPHA-INIZCTEOSA-N -1 0 344.455 3.838 20 0 EHADRM CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001589729381 987944180 /nfs/dbraw/zinc/94/41/80/987944180.db2.gz XYJRZASXMUSHSF-SNEKZUEESA-N -1 0 335.488 3.990 20 0 EHADRM CS[C@H]1CC[C@@H](N(C)C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC001599788142 987959950 /nfs/dbraw/zinc/95/99/50/987959950.db2.gz OHRPYXBQQDWGEM-FXUDXRNXSA-N -1 0 348.468 3.623 20 0 EHADRM CC(C)(C)[C@H]1CCN1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001589732769 987967903 /nfs/dbraw/zinc/96/79/03/987967903.db2.gz WWDNSXWZVRYALX-GFCCVEGCSA-N -1 0 342.342 3.639 20 0 EHADRM CS[C@H]1CCC[C@@H](Nc2cc(C(F)(F)F)c(C(=O)[O-])cn2)C1 ZINC001599789982 987990711 /nfs/dbraw/zinc/99/07/11/987990711.db2.gz YMVXFUHPDZSOGI-BDAKNGLRSA-N -1 0 334.363 3.885 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)CSc1ccc2ccccc2c1)C(=O)[O-] ZINC001589745364 988036759 /nfs/dbraw/zinc/03/67/59/988036759.db2.gz HEELGDWRAMMUPC-INIZCTEOSA-N -1 0 345.464 3.938 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)c1cc(C2CC2)nc2ccccc21)C(=O)[O-] ZINC001589750767 988046416 /nfs/dbraw/zinc/04/64/16/988046416.db2.gz BVPCVXKKZNFKQH-KRWDZBQOSA-N -1 0 340.423 3.731 20 0 EHADRM CCc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)cc1 ZINC001597503293 988071507 /nfs/dbraw/zinc/07/15/07/988071507.db2.gz OSPITVKHCDETLK-UHFFFAOYSA-N -1 0 338.407 3.800 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC001597511599 988091914 /nfs/dbraw/zinc/09/19/14/988091914.db2.gz GCXXSHDNWOTWFM-QVKFZJNVSA-N -1 0 339.435 3.859 20 0 EHADRM CSCCCCCCC(=O)N1C[C@@H](C(=O)[O-])Cc2ccccc21 ZINC001599797451 988120280 /nfs/dbraw/zinc/12/02/80/988120280.db2.gz MFSCHGPYISHMJB-HNNXBMFYSA-N -1 0 335.469 3.590 20 0 EHADRM CCc1ccc(C2=CCN(C(=O)c3cccc(CC(=O)[O-])c3)CC2)cc1 ZINC001597518252 988136477 /nfs/dbraw/zinc/13/64/77/988136477.db2.gz RSHZLRARSWOFEN-UHFFFAOYSA-N -1 0 349.430 3.806 20 0 EHADRM CCc1ccc(CC)c(NC(=O)N[C@H](CC(=O)[O-])C2CCCC2)c1 ZINC001597523575 988160910 /nfs/dbraw/zinc/16/09/10/988160910.db2.gz WODFMYQDAIXTQY-QGZVFWFLSA-N -1 0 332.444 3.966 20 0 EHADRM CCc1ccc(CN[C@@H](C(=O)[O-])c2ccc(OC)c(Cl)c2)s1 ZINC001597530108 988180153 /nfs/dbraw/zinc/18/01/53/988180153.db2.gz GZUIJZKSUWIGKE-OAHLLOKOSA-N -1 0 339.844 3.888 20 0 EHADRM CCc1ccc(NC(=O)[C@@H](C)Sc2nc(C(=O)[O-])cs2)cc1 ZINC001597542935 988235352 /nfs/dbraw/zinc/23/53/52/988235352.db2.gz MEXHICDYSSPBNA-SECBINFHSA-N -1 0 336.438 3.523 20 0 EHADRM CCc1ccc(NC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)cc1F ZINC001597546410 988249917 /nfs/dbraw/zinc/24/99/17/988249917.db2.gz FCTBXFFFVOZUEQ-MRXNPFEDSA-N -1 0 348.349 3.865 20 0 EHADRM CCc1ccc(NC(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)cc1C ZINC001597546551 988250867 /nfs/dbraw/zinc/25/08/67/988250867.db2.gz FXQUXKPLKJQWTF-SFHVURJKSA-N -1 0 340.423 3.765 20 0 EHADRM CSc1c(F)cccc1C(=O)OC1CCC(CC(=O)[O-])CC1 ZINC001599805863 988255126 /nfs/dbraw/zinc/25/51/26/988255126.db2.gz AXHPEMXABXYSBR-UHFFFAOYSA-N -1 0 326.389 3.738 20 0 EHADRM CCc1ccc(NC(=O)N2CCC[C@@H](OC3CCC3)C2)c(C(=O)[O-])c1 ZINC001597548456 988265023 /nfs/dbraw/zinc/26/50/23/988265023.db2.gz VMMXMWBEFXOVCT-OAHLLOKOSA-N -1 0 346.427 3.513 20 0 EHADRM CCc1ccc(NCc2ccc(C(=O)[O-])c(Br)c2)nc1 ZINC001597551450 988275193 /nfs/dbraw/zinc/27/51/93/988275193.db2.gz HECAEFUEMHHGTM-UHFFFAOYSA-N -1 0 335.201 3.717 20 0 EHADRM CSc1cc(C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)ccn1 ZINC001599807746 988283994 /nfs/dbraw/zinc/28/39/94/988283994.db2.gz UNMXEMSTJCFMCV-UHFFFAOYSA-N -1 0 346.408 3.541 20 0 EHADRM CCc1ccc(O)c(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)c1 ZINC001597556169 988286021 /nfs/dbraw/zinc/28/60/21/988286021.db2.gz JGXOTIHJYLFDPL-LJQANCHMSA-N -1 0 349.386 3.664 20 0 EHADRM CCc1ccc(OCC(=O)Nc2c(C)sc(C)c2C(=O)[O-])cc1 ZINC001597556818 988290906 /nfs/dbraw/zinc/29/09/06/988290906.db2.gz UJPOWBCNYXQDFD-UHFFFAOYSA-N -1 0 333.409 3.643 20 0 EHADRM CSc1cc(NC(=O)N2CCC[C@@H]2CC(=O)[O-])ccc1Cl ZINC001599808238 988291214 /nfs/dbraw/zinc/29/12/14/988291214.db2.gz AUJVZIFEOKXDER-SNVBAGLBSA-N -1 0 328.821 3.533 20 0 EHADRM CCc1ccc2occ(C(=O)N3C[C@H](C(=O)[O-])c4ccccc43)c2c1 ZINC001597570343 988341659 /nfs/dbraw/zinc/34/16/59/988341659.db2.gz DNMNXTOFUPCPJZ-HNNXBMFYSA-N -1 0 335.359 3.824 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)CSCc1ccc(F)cc1 ZINC001597574084 988360941 /nfs/dbraw/zinc/36/09/41/988360941.db2.gz YSWQNYMIURAOCX-UHFFFAOYSA-N -1 0 347.411 3.958 20 0 EHADRM CCc1cccc(C)c1Nc1nnc(SC[C@@H](F)C(=O)[O-])s1 ZINC001597581038 988384317 /nfs/dbraw/zinc/38/43/17/988384317.db2.gz MYGNMYUHGAIVEW-SNVBAGLBSA-N -1 0 341.433 3.667 20 0 EHADRM CSc1ccc(NC(=O)CC(F)(F)C(F)(F)F)cc1C(=O)[O-] ZINC001599815934 988424348 /nfs/dbraw/zinc/42/43/48/988424348.db2.gz JKJVFHBIUYDFPB-UHFFFAOYSA-N -1 0 343.273 3.633 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1ccc(-c2ccccn2)nc1 ZINC001597593196 988426608 /nfs/dbraw/zinc/42/66/08/988426608.db2.gz NVNBEUSZNUDCRB-UHFFFAOYSA-N -1 0 347.374 3.657 20 0 EHADRM CSc1ccc(NC(=O)c2ccccc2C(C)=O)cc1C(=O)[O-] ZINC001599817340 988450039 /nfs/dbraw/zinc/45/00/39/988450039.db2.gz KELHFBSZVZNKHM-UHFFFAOYSA-N -1 0 329.377 3.562 20 0 EHADRM CSc1ccc(NC(=O)c2cc3ccccc3n2C)cc1C(=O)[O-] ZINC001599817934 988460185 /nfs/dbraw/zinc/46/01/85/988460185.db2.gz VNQTZRVLLCKDGP-UHFFFAOYSA-N -1 0 340.404 3.851 20 0 EHADRM CSc1ccc(NC(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001599818543 988471383 /nfs/dbraw/zinc/47/13/83/988471383.db2.gz VCEMAJHBOBHVFB-HNNXBMFYSA-N -1 0 348.399 3.538 20 0 EHADRM CSc1ccc(NC(=O)Nc2ccc(O)cc2C)cc1C(=O)[O-] ZINC001599819572 988488763 /nfs/dbraw/zinc/48/87/63/988488763.db2.gz VTSLEKSLSXTVQR-UHFFFAOYSA-N -1 0 332.381 3.765 20 0 EHADRM CSc1ccc(NC(=O)c2onc3ccccc32)cc1C(=O)[O-] ZINC001599820927 988511931 /nfs/dbraw/zinc/51/19/31/988511931.db2.gz PELRJCWYDRBATN-UHFFFAOYSA-N -1 0 328.349 3.500 20 0 EHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001597621374 988548095 /nfs/dbraw/zinc/54/80/95/988548095.db2.gz LBUCSVVCTRVVRQ-ZWKOTPCHSA-N -1 0 343.467 3.894 20 0 EHADRM CSc1ccccc1NC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001599825139 988586000 /nfs/dbraw/zinc/58/60/00/988586000.db2.gz JNXCDMMFDWPZNI-ACJLOTCBSA-N -1 0 327.405 3.606 20 0 EHADRM CC(C)Oc1ccc(NC(=O)c2ccc3[n-]c(=S)oc3c2)cn1 ZINC000073008920 1015402114 /nfs/dbraw/zinc/40/21/14/1015402114.db2.gz XUOIRLLEMVORRP-UHFFFAOYSA-N -1 0 329.381 3.925 20 0 EHADRM CCc1cnc(CSc2nc(C(F)(F)F)ccc2C(=O)[O-])o1 ZINC001597631188 988595902 /nfs/dbraw/zinc/59/59/02/988595902.db2.gz OYVPHPMTPIYICY-UHFFFAOYSA-N -1 0 332.303 3.641 20 0 EHADRM CCc1cnccc1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001597634423 988609947 /nfs/dbraw/zinc/60/99/47/988609947.db2.gz MCAMBQNQMUTDQF-UHFFFAOYSA-N -1 0 344.436 3.604 20 0 EHADRM CCc1nc(CC(=O)Nc2ccc(C(=O)[O-])c3ccccc23)cs1 ZINC001597662336 988735275 /nfs/dbraw/zinc/73/52/75/988735275.db2.gz DEMZIWOQECXKCJ-UHFFFAOYSA-N -1 0 340.404 3.738 20 0 EHADRM C[C@@H](NC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1)C1CCCCCC1 ZINC001599837394 988765962 /nfs/dbraw/zinc/76/59/62/988765962.db2.gz BGRODEFRXFTLPL-CFLQYTFWSA-N -1 0 329.440 3.720 20 0 EHADRM CCc1nc(NC(=O)/C=C(/C)c2ccc(F)cc2)sc1C(=O)[O-] ZINC001597678580 988798766 /nfs/dbraw/zinc/79/87/66/988798766.db2.gz QPHXKJXWOIMLRZ-HJWRWDBZSA-N -1 0 334.372 3.585 20 0 EHADRM CCc1nc(NC(=O)c2ccccc2C(F)(F)F)sc1C(=O)[O-] ZINC001597685452 988833810 /nfs/dbraw/zinc/83/38/10/988833810.db2.gz UDVVSDUCMURZFV-UHFFFAOYSA-N -1 0 344.314 3.675 20 0 EHADRM CCc1nc2sccc2c(NC[C@@H](C(=O)[O-])C2CCCCC2)n1 ZINC001597685395 988833882 /nfs/dbraw/zinc/83/38/82/988833882.db2.gz NUPIXCMNDHTZEB-CYBMUJFWSA-N -1 0 333.457 3.947 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N(C)CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001599847321 988955923 /nfs/dbraw/zinc/95/59/23/988955923.db2.gz LSUGIXDSQORPSK-LBPRGKRZSA-N -1 0 346.814 3.670 20 0 EHADRM C[C@@H]1C[C@H](C)CCN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C1 ZINC001599848598 988976068 /nfs/dbraw/zinc/97/60/68/988976068.db2.gz VVXOIWLSYKPUTC-NXEZZACHSA-N -1 0 326.343 3.563 20 0 EHADRM CCc1nc(SCc2c(C(=O)[O-])sc3cccc(F)c32)n[nH]1 ZINC001597736387 989087374 /nfs/dbraw/zinc/08/73/74/989087374.db2.gz UPRHTMFVGMQELH-UHFFFAOYSA-N -1 0 337.401 3.711 20 0 EHADRM CCc1noc(C)c1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1Cl ZINC001597742399 989107673 /nfs/dbraw/zinc/10/76/73/989107673.db2.gz ONEXHOBMMQCGDH-UHFFFAOYSA-N -1 0 343.166 3.803 20 0 EHADRM CCc1nocc1CN(C)[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001597757029 989178744 /nfs/dbraw/zinc/17/87/44/989178744.db2.gz WHKDVRAXEWOCJS-AWEZNQCLSA-N -1 0 343.210 3.802 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(-c3ccc(Cl)cc3)c[nH]2)C[C@H]1CC(=O)[O-] ZINC001599862208 989187454 /nfs/dbraw/zinc/18/74/54/989187454.db2.gz WQVRPIZMLZCROP-BXUZGUMPSA-N -1 0 346.814 3.518 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN1CCc2c(F)cc(F)cc2[C@@H]1C ZINC001597766500 989214220 /nfs/dbraw/zinc/21/42/20/989214220.db2.gz ROVPCNFHQOWQGI-JTQLQIEISA-N -1 0 335.350 3.938 20 0 EHADRM CCc1oc2ccccc2c1CC(=O)NC1(CC(=O)[O-])CCCCC1 ZINC001597807747 989420292 /nfs/dbraw/zinc/42/02/92/989420292.db2.gz IWQPDDYLFQPPBW-UHFFFAOYSA-N -1 0 343.423 3.832 20 0 EHADRM CC(C)(C)OC(=O)NCCSCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001590201136 989565458 /nfs/dbraw/zinc/56/54/58/989565458.db2.gz NSTRHIJVYZFZIP-UHFFFAOYSA-N -1 0 345.848 3.796 20 0 EHADRM CCn1c2cc(F)ccc2nc1NCc1ccc(C(=O)[O-])c(C)c1 ZINC001597859735 989630471 /nfs/dbraw/zinc/63/04/71/989630471.db2.gz DEXHCYSZPBNTOU-UHFFFAOYSA-N -1 0 327.359 3.814 20 0 EHADRM CCn1c(N[C@H](C)c2ncc(C(=O)[O-])s2)nc2cc(F)ccc21 ZINC001597860517 989635611 /nfs/dbraw/zinc/63/56/11/989635611.db2.gz SMQINJFUSRUBGU-MRVPVSSYSA-N -1 0 334.376 3.523 20 0 EHADRM CCn1cc(CC(=O)Nc2c(F)cccc2C(=O)[O-])c2ccccc21 ZINC001597884364 989719681 /nfs/dbraw/zinc/71/96/81/989719681.db2.gz KBWWDRXHCHYIHB-UHFFFAOYSA-N -1 0 340.354 3.680 20 0 EHADRM CC(C)(C)OC(=O)c1cccc(COc2cccc(C(=O)[O-])c2)c1 ZINC001590365454 989838043 /nfs/dbraw/zinc/83/80/43/989838043.db2.gz HBKWMYSAQBYQIY-UHFFFAOYSA-N -1 0 328.364 3.919 20 0 EHADRM CC(C)(C)OCCCNc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001590388175 989905344 /nfs/dbraw/zinc/90/53/44/989905344.db2.gz IUBGCQPZISVDAZ-UHFFFAOYSA-N -1 0 331.412 3.920 20 0 EHADRM CC(C)(C)OCc1ccccc1C(=O)O[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001590398608 989930530 /nfs/dbraw/zinc/93/05/30/989930530.db2.gz JLLVDAJBZUQWDZ-ZFWWWQNUSA-N -1 0 334.412 3.802 20 0 EHADRM CC[C@H](NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)c1ccc(C)cc1 ZINC000326867136 1015523721 /nfs/dbraw/zinc/52/37/21/1015523721.db2.gz XKIIEHYZKMZOAH-RXVVDRJESA-N -1 0 339.435 3.995 20 0 EHADRM CCn1ncc(NCc2ccc(C(=O)[O-])cc2C(F)(F)F)c1C ZINC001597959768 989979808 /nfs/dbraw/zinc/97/98/08/989979808.db2.gz BQBLGRNULMWBBU-UHFFFAOYSA-N -1 0 327.306 3.541 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)nc1 ZINC001590475354 990049356 /nfs/dbraw/zinc/04/93/56/990049356.db2.gz LCKZPDKATCLOFK-MRXNPFEDSA-N -1 0 340.423 3.715 20 0 EHADRM CC(C)(C)c1ccc(/C=C\C(=O)Nc2ncc(C(=O)[O-])s2)cc1 ZINC001590479462 990052843 /nfs/dbraw/zinc/05/28/43/990052843.db2.gz BLJTWHUYNOFBBL-TWGQIWQCSA-N -1 0 330.409 3.791 20 0 EHADRM CN(C(=O)/C(=C/c1ccccc1)C(F)(F)F)c1ccccc1C(=O)[O-] ZINC001597983259 990057948 /nfs/dbraw/zinc/05/79/48/990057948.db2.gz XDHDEHYBGHIGLE-KAMYIIQDSA-N -1 0 349.308 3.994 20 0 EHADRM CC(C)(C)c1cccc(C(=O)NCCc2ccc(C(=O)[O-])cc2)c1 ZINC001590498769 990110141 /nfs/dbraw/zinc/11/01/41/990110141.db2.gz IDVIIRJRUZHAOF-UHFFFAOYSA-N -1 0 325.408 3.655 20 0 EHADRM CC(C)(C)c1ccc2[nH]c(C(=O)N3CCC[C@H]3CC(=O)[O-])cc2c1 ZINC001590501036 990116537 /nfs/dbraw/zinc/11/65/37/990116537.db2.gz PIEOBGDLJJQRJC-AWEZNQCLSA-N -1 0 328.412 3.545 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCN(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)C2 ZINC001590501034 990116569 /nfs/dbraw/zinc/11/65/69/990116569.db2.gz PHIFTECWRXTWIU-HZPDHXFCSA-N -1 0 343.467 3.760 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCCN2C(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001590501104 990117608 /nfs/dbraw/zinc/11/76/08/990117608.db2.gz UCGVUXMFLADBKC-UHFFFAOYSA-N -1 0 326.396 3.603 20 0 EHADRM CN(C(=O)CC(C)(F)F)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598006851 990161681 /nfs/dbraw/zinc/16/16/81/990161681.db2.gz BJZLEVBZQRRYDO-LLVKDONJSA-N -1 0 340.153 3.623 20 0 EHADRM CC(C)(C)c1nc(NC(=O)[C@H]2CCC[C@@H](F)C2)sc1C(=O)[O-] ZINC001590542071 990169615 /nfs/dbraw/zinc/16/96/15/990169615.db2.gz NFFQKXUIAPTSDA-DTWKUNHWSA-N -1 0 328.409 3.606 20 0 EHADRM CN(C(=O)CCCc1cc(F)ccc1F)C1(C(=O)[O-])CCCCC1 ZINC001598012505 990183753 /nfs/dbraw/zinc/18/37/53/990183753.db2.gz HBFIEXKMTBDQBR-UHFFFAOYSA-N -1 0 339.382 3.533 20 0 EHADRM CC(C)(C)c1nsc(Nc2ccc(OCCCC(=O)[O-])cc2)n1 ZINC001590588888 990240168 /nfs/dbraw/zinc/24/01/68/990240168.db2.gz NUUFBPUSOZPSBK-UHFFFAOYSA-N -1 0 335.429 3.823 20 0 EHADRM CC(C)(C)n1ncnc1COc1cccc2sc(C(=O)[O-])cc21 ZINC001590609561 990275465 /nfs/dbraw/zinc/27/54/65/990275465.db2.gz JMDYPESXQCXGFS-UHFFFAOYSA-N -1 0 331.397 3.525 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NC1(Cc2ccc(Cl)cc2)CCC1 ZINC001590628625 990319341 /nfs/dbraw/zinc/31/93/41/990319341.db2.gz OHMRHGGEZJRJDJ-UHFFFAOYSA-N -1 0 337.847 3.812 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1cnccc1-c1ccc(F)cc1 ZINC001590636841 990325926 /nfs/dbraw/zinc/32/59/26/990325926.db2.gz WIRFHQAMOUOBRV-UHFFFAOYSA-N -1 0 330.359 3.717 20 0 EHADRM CC(C)(CCN1CC(Oc2cccc(Cl)c2Cl)C1)C(=O)[O-] ZINC001590671195 990381016 /nfs/dbraw/zinc/38/10/16/990381016.db2.gz WTKQETLUYSDRRW-UHFFFAOYSA-N -1 0 332.227 3.557 20 0 EHADRM CC(C)(CCNc1ccc(-n2nccc2C(F)(F)F)cc1)C(=O)[O-] ZINC001590693693 990409853 /nfs/dbraw/zinc/40/98/53/990409853.db2.gz YQZFBFASJDAREC-UHFFFAOYSA-N -1 0 341.333 3.804 20 0 EHADRM CC(C)(CSc1nc2c(n1-c1ccccc1)CCCC2)C(=O)[O-] ZINC001590820481 990656232 /nfs/dbraw/zinc/65/62/32/990656232.db2.gz QKMYTLJOPNBYTD-UHFFFAOYSA-N -1 0 330.453 3.954 20 0 EHADRM CC(C)(CC(=O)NC(C)(C)c1nocc1C(=O)[O-])C1CCCCC1 ZINC001590840606 990707960 /nfs/dbraw/zinc/70/79/60/990707960.db2.gz SSOQAWQEQHZEIL-UHFFFAOYSA-N -1 0 336.432 3.721 20 0 EHADRM CC(C)(NC(=O)Nc1ccc(C(=O)[O-])nc1)c1ccc2ccccc2c1 ZINC001590854621 990735127 /nfs/dbraw/zinc/73/51/27/990735127.db2.gz CYCVBPXEAFVSSS-UHFFFAOYSA-N -1 0 349.390 3.990 20 0 EHADRM Cc1cc(C)c(C(=O)N=c2nc(Cc3ccccc3)[n-]s2)c(C)c1 ZINC000535616102 1015589610 /nfs/dbraw/zinc/58/96/10/1015589610.db2.gz IJZFFFNQJZDYSR-UHFFFAOYSA-N -1 0 337.448 3.728 20 0 EHADRM CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc1ccc(C(=O)[O-])o1 ZINC001590904733 990866714 /nfs/dbraw/zinc/86/67/14/990866714.db2.gz KAISZMRNVRRTND-UHFFFAOYSA-N -1 0 338.743 3.532 20 0 EHADRM CC(C)(c1noc([C@@H]2CCC[C@H](C(=O)[O-])C2)n1)c1cccc(F)c1 ZINC001590908515 990875855 /nfs/dbraw/zinc/87/58/55/990875855.db2.gz FVAOSRNUCMNEMI-NEPJUHHUSA-N -1 0 332.375 3.893 20 0 EHADRM CC(C)=CCCN1Cc2sc(C(=O)[O-])c(Br)c2C1 ZINC001590921920 990915195 /nfs/dbraw/zinc/91/51/95/990915195.db2.gz MWPJOMVHZKCABD-UHFFFAOYSA-N -1 0 330.247 3.881 20 0 EHADRM COc1cccc(S[C@@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)c1 ZINC001599683485 990948931 /nfs/dbraw/zinc/94/89/31/990948931.db2.gz ORAYTIJXNAIIKR-NSHDSACASA-N -1 0 333.409 3.702 20 0 EHADRM CC(C)[C@@H](C(=O)NCc1ccccc1CC(=O)[O-])c1ccc(F)cc1 ZINC001590957737 991043614 /nfs/dbraw/zinc/04/36/14/991043614.db2.gz QPVZBWYYGWXQEO-LJQANCHMSA-N -1 0 343.398 3.509 20 0 EHADRM COc1ccccc1-c1cccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC001599692590 991094100 /nfs/dbraw/zinc/09/41/00/991094100.db2.gz RDMWSYHFQFCCBV-LSDHHAIUSA-N -1 0 339.391 3.802 20 0 EHADRM CC(C)[C@H](CC(F)(F)F)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001590975401 991117546 /nfs/dbraw/zinc/11/75/46/991117546.db2.gz BQQSLWMLXCBSJG-NSHDSACASA-N -1 0 336.285 3.622 20 0 EHADRM CC(C)[C@H](CC1CCCCC1)C(=O)Nc1nc2n(c1C(=O)[O-])CCC2 ZINC001590980866 991135479 /nfs/dbraw/zinc/13/54/79/991135479.db2.gz LWFYQUMSXNVCSZ-AWEZNQCLSA-N -1 0 347.459 3.709 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)O[C@H](C)c1cc(C(=O)[O-])co1 ZINC001599696757 991159774 /nfs/dbraw/zinc/15/97/74/991159774.db2.gz ARAPWMMCRJZLKX-VXGBXAGGSA-N -1 0 332.352 3.784 20 0 EHADRM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001590993766 991215243 /nfs/dbraw/zinc/21/52/43/991215243.db2.gz RLJIUHSEOSEPGF-QGZVFWFLSA-N -1 0 344.386 3.913 20 0 EHADRM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001590993968 991216979 /nfs/dbraw/zinc/21/69/79/991216979.db2.gz VNKQFYHCUVYHRN-QGZVFWFLSA-N -1 0 349.446 3.934 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)c1cccc(C(F)F)c1 ZINC001598301546 991254876 /nfs/dbraw/zinc/25/48/76/991254876.db2.gz VWUTUXRUTYLPAI-UHFFFAOYSA-N -1 0 334.322 3.641 20 0 EHADRM COc1ccccc1C1(NC(=O)Nc2cccc(C(=O)[O-])c2C)CC1 ZINC001599703443 991255653 /nfs/dbraw/zinc/25/56/53/991255653.db2.gz FONZVIJHFNUJCN-UHFFFAOYSA-N -1 0 340.379 3.513 20 0 EHADRM COc1ccccc1[C@H]1CCCN(c2ncc(C(=O)[O-])s2)CC1 ZINC001599704472 991271714 /nfs/dbraw/zinc/27/17/14/991271714.db2.gz PGUIVRYZVIQWFR-LBPRGKRZSA-N -1 0 332.425 3.624 20 0 EHADRM CC(C)[C@@H](NC(=O)NC1CC(CC(=O)[O-])C1)c1ccccc1Cl ZINC001591008435 991277239 /nfs/dbraw/zinc/27/72/39/991277239.db2.gz YNSZPLCUNMUMQR-ZEPSKSRBSA-N -1 0 338.835 3.590 20 0 EHADRM CN(C)c1ccc(C(=O)Nc2c(C(=O)[O-])ccc3ccccc32)cc1 ZINC001598313620 991290683 /nfs/dbraw/zinc/29/06/83/991290683.db2.gz RQAQIANHFVJUKW-UHFFFAOYSA-N -1 0 334.375 3.856 20 0 EHADRM CC(C)[C@H](NC(=O)Nc1ccc(CC(=O)[O-])c(F)c1)c1ccccc1 ZINC001591014782 991293913 /nfs/dbraw/zinc/29/39/13/991293913.db2.gz RJZXEFSBEOGYBB-SFHVURJKSA-N -1 0 344.386 3.972 20 0 EHADRM COc1ccccc1C[C@@H](CNC(=O)[C@H](C)CCC(C)(C)C)C(=O)[O-] ZINC001599706229 991296425 /nfs/dbraw/zinc/29/64/25/991296425.db2.gz GKEXLYRSSRWGSC-ZBFHGGJFSA-N -1 0 349.471 3.517 20 0 EHADRM CC(C)[C@@H](NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC001591019291 991304049 /nfs/dbraw/zinc/30/40/49/991304049.db2.gz VLLSXUBMRFZDAU-MBNYWOFBSA-N -1 0 343.345 3.630 20 0 EHADRM CN(C)c1ccc(Cl)cc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC001598321902 991325681 /nfs/dbraw/zinc/32/56/81/991325681.db2.gz MGAWFZMJEIIOCM-UHFFFAOYSA-N -1 0 346.814 3.676 20 0 EHADRM CC(C)C1(c2ccccc2)CN(C(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC001591067805 991517892 /nfs/dbraw/zinc/51/78/92/991517892.db2.gz LIGDWBCCSMSDBD-UHFFFAOYSA-N -1 0 341.382 3.574 20 0 EHADRM CC(C)[C@H]1C[C@H](C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)CCO1 ZINC001591071519 991529244 /nfs/dbraw/zinc/52/92/44/991529244.db2.gz CHETUFIYXALXIJ-BXKDBHETSA-N -1 0 343.782 3.567 20 0 EHADRM CC(C)C1CCC(CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC1 ZINC001591080798 991587059 /nfs/dbraw/zinc/58/70/59/991587059.db2.gz UZULNCLQJXILAH-UHFFFAOYSA-N -1 0 335.488 3.990 20 0 EHADRM CC(C)C1CCC(NC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)CC1 ZINC001591080892 991588692 /nfs/dbraw/zinc/58/86/92/991588692.db2.gz DVPBLQYNMGVUBO-HWOWSKLDSA-N -1 0 338.492 3.734 20 0 EHADRM CC(C)[C@H]1CCC[C@@](NC(=O)CCCC(=O)[O-])(C(F)(F)F)CC1 ZINC001591082495 991598304 /nfs/dbraw/zinc/59/83/04/991598304.db2.gz SKWQBSLBIUMZIR-WFASDCNBSA-N -1 0 337.382 3.895 20 0 EHADRM CC(C)[C@@H]1N(Cc2oc(Br)cc2C(=O)[O-])CC12CCC2 ZINC001591099241 991708399 /nfs/dbraw/zinc/70/83/99/991708399.db2.gz JBTFZFKDSAXPBC-ZDUSSCGKSA-N -1 0 342.233 3.751 20 0 EHADRM CC(C)[C@@H]1c2ccccc2CCN1C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001591104460 991727075 /nfs/dbraw/zinc/72/70/75/991727075.db2.gz DKNBYNUTVNHPCR-HXUWFJFHSA-N -1 0 337.419 3.709 20 0 EHADRM CC(C)C[C@H](C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001591118205 991781328 /nfs/dbraw/zinc/78/13/28/991781328.db2.gz NPFJMTWOAFJIRL-JSGCOSHPSA-N -1 0 346.452 3.848 20 0 EHADRM COc1nccc2cc(NC(=O)c3cc(C)cc(C(=O)[O-])c3)ccc21 ZINC001599736564 991783495 /nfs/dbraw/zinc/78/34/95/991783495.db2.gz ASOGLWCPNCTWSG-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM CN(CC(F)(F)C(F)(F)F)[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001598429656 991786795 /nfs/dbraw/zinc/78/67/95/991786795.db2.gz KAELZHMQUIZVRF-SECBINFHSA-N -1 0 331.668 3.595 20 0 EHADRM CN(C[C@@H]1CCc2ccccc21)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001598467657 991977684 /nfs/dbraw/zinc/97/76/84/991977684.db2.gz NTKMEKIJDHVVGM-LBPRGKRZSA-N -1 0 330.409 3.640 20 0 EHADRM CC(C)C[C@H]1CCN(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)C1 ZINC001591207726 992045162 /nfs/dbraw/zinc/04/51/62/992045162.db2.gz YCVPYWLAMAGQOV-GFCCVEGCSA-N -1 0 329.400 3.766 20 0 EHADRM CC(C)C[C@@H]1CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC001591207702 992045200 /nfs/dbraw/zinc/04/52/00/992045200.db2.gz WVTVDDWOHLBJJX-RRQGHBQHSA-N -1 0 330.428 3.775 20 0 EHADRM CC(C)CCOC(=O)N[C@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001591252058 992150574 /nfs/dbraw/zinc/15/05/74/992150574.db2.gz SJOVMRCQXHRQBP-NVXWUHKLSA-N -1 0 333.428 3.722 20 0 EHADRM CC(C)CCn1ncc(NCc2cc(C(=O)[O-])n(C)c2)c1C(C)C ZINC001591276201 992198187 /nfs/dbraw/zinc/19/81/87/992198187.db2.gz FUYHMSOWUFCSDQ-UHFFFAOYSA-N -1 0 332.448 3.701 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)c1ccc(N2CCCCCC2)cc1 ZINC001591332163 992310554 /nfs/dbraw/zinc/31/05/54/992310554.db2.gz LMIOYPAMQSQMQD-UHFFFAOYSA-N -1 0 346.471 3.640 20 0 EHADRM CS[C@H](C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC001599780335 992355884 /nfs/dbraw/zinc/35/58/84/992355884.db2.gz IQLZLTDDRWTBRX-WBVHZDCISA-N -1 0 341.432 3.696 20 0 EHADRM CS[C@@H](C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1)c1ccccc1 ZINC001599781636 992372050 /nfs/dbraw/zinc/37/20/50/992372050.db2.gz SOVNYEKGOATGNP-IAGOWNOFSA-N -1 0 349.496 3.878 20 0 EHADRM CSC(C)(C)C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001599782252 992380379 /nfs/dbraw/zinc/38/03/79/992380379.db2.gz SDBPYCHBZRJNFP-JTQLQIEISA-N -1 0 337.224 3.804 20 0 EHADRM CN(CCOc1ccc(/C=C\C(=O)[O-])cc1)Cc1c(F)cccc1F ZINC001598498578 992397009 /nfs/dbraw/zinc/39/70/09/992397009.db2.gz BJVAKBGMAFZLCG-YFHOEESVSA-N -1 0 347.361 3.573 20 0 EHADRM CC(C)COc1ccccc1CNC(=O)Nc1ccc(C(=O)[O-])s1 ZINC001591409700 992485210 /nfs/dbraw/zinc/48/52/10/992485210.db2.gz KQQKDQKJNSQOCB-UHFFFAOYSA-N -1 0 348.424 3.803 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])c(Cl)c1)Cc1c(F)cccc1F ZINC001598509253 992547717 /nfs/dbraw/zinc/54/77/17/992547717.db2.gz LXWWLJMBJCOJDE-UHFFFAOYSA-N -1 0 325.742 3.948 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1ccc(C(F)F)cc1F ZINC001598511944 992574468 /nfs/dbraw/zinc/57/44/68/992574468.db2.gz FYFUGJFLRXVCOH-UHFFFAOYSA-N -1 0 337.297 3.734 20 0 EHADRM CC(C)Cc1c[nH]c(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c1 ZINC001591476147 992593152 /nfs/dbraw/zinc/59/31/52/992593152.db2.gz QTMDGVPAXOVHMN-UHFFFAOYSA-N -1 0 344.411 3.709 20 0 EHADRM CC(C)Cc1ccc(C(=O)NCc2ccc(CC(=O)[O-])cc2)s1 ZINC001591477437 992598250 /nfs/dbraw/zinc/59/82/50/992598250.db2.gz RKHAIYRQNMNKPR-UHFFFAOYSA-N -1 0 331.437 3.504 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)Cc1ccnc(Cl)c1Cl ZINC001598514042 992599176 /nfs/dbraw/zinc/59/91/76/992599176.db2.gz TXYKIMBKIRTWBV-UHFFFAOYSA-N -1 0 325.195 3.719 20 0 EHADRM CC(C)Cc1ccc(C[S@@](=O)[C@@H](C)c2nc(C(=O)[O-])co2)cc1 ZINC001591483286 992601056 /nfs/dbraw/zinc/60/10/56/992601056.db2.gz FAZFHMDBJQHRRT-DAOPMYJZSA-N -1 0 335.425 3.581 20 0 EHADRM CC(C)Cc1ccc([C@H](NC(=S)NCCCC(=O)[O-])C2CC2)cc1 ZINC001591484907 992614267 /nfs/dbraw/zinc/61/42/67/992614267.db2.gz XCUKAIXMEVUNEF-SFHVURJKSA-N -1 0 348.512 3.665 20 0 EHADRM CC(C)Cc1ccccc1C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001591488265 992615724 /nfs/dbraw/zinc/61/57/24/992615724.db2.gz DZFVNJMHXXJOEW-QGZVFWFLSA-N -1 0 331.456 3.896 20 0 EHADRM CC(C)Cc1ccccc1C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001591488612 992616870 /nfs/dbraw/zinc/61/68/70/992616870.db2.gz HFHQNODHSCJSAE-LJQANCHMSA-N -1 0 337.419 3.709 20 0 EHADRM CN(Cc1ccc(Cl)nc1)[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001598518127 992643329 /nfs/dbraw/zinc/64/33/29/992643329.db2.gz RCUCGQFPWWFXMY-CQSZACIVSA-N -1 0 325.195 3.646 20 0 EHADRM CC(C)N(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(F)cc1Cl ZINC001591543681 992728101 /nfs/dbraw/zinc/72/81/01/992728101.db2.gz NVDAZNMFYMSTNK-WDEREUQCSA-N -1 0 327.783 3.721 20 0 EHADRM CC(C)N(C(=O)CSCc1ccccc1C(=O)[O-])C1CCCC1 ZINC001591543718 992729079 /nfs/dbraw/zinc/72/90/79/992729079.db2.gz QRTAORZWKNWJMZ-UHFFFAOYSA-N -1 0 335.469 3.798 20 0 EHADRM CN(Cc1ccoc1)C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001598532330 992797397 /nfs/dbraw/zinc/79/73/97/992797397.db2.gz HTDOMEKYPFMAQA-UHFFFAOYSA-N -1 0 330.365 3.856 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CC[N@H+](Cc2ccc(F)cc2Br)C1 ZINC000232783518 1015763076 /nfs/dbraw/zinc/76/30/76/1015763076.db2.gz IVJIARXJSQCIHI-OAHLLOKOSA-N -1 0 344.224 3.521 20 0 EHADRM COc1ccc(F)cc1CC(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC001599582764 993572921 /nfs/dbraw/zinc/57/29/21/993572921.db2.gz ILOREVYBWQBRGC-UHFFFAOYSA-N -1 0 345.370 3.837 20 0 EHADRM C[C@H](NC(=O)NCCCCC1(C(=O)[O-])CCC1)[C@]12C[C@H]1CCCC2 ZINC001593088525 993701340 /nfs/dbraw/zinc/70/13/40/993701340.db2.gz JIXQLSVCLDIJTD-KHYOSLBOSA-N -1 0 336.476 3.680 20 0 EHADRM C[C@H](NC(=O)NCC1(CC(=O)[O-])CCCC1)c1cccc(C2CC2)c1 ZINC001593088980 993704357 /nfs/dbraw/zinc/70/43/57/993704357.db2.gz PGRQNFLOKIUDIS-AWEZNQCLSA-N -1 0 344.455 3.959 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1cc2cnccc2o1 ZINC001593114867 993795513 /nfs/dbraw/zinc/79/55/13/993795513.db2.gz FACTUEGCEWETHZ-SECBINFHSA-N -1 0 343.314 3.548 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)c1ccsc1 ZINC001593115778 993802676 /nfs/dbraw/zinc/80/26/76/993802676.db2.gz RFMZCAJAVIFXEX-WKPIXPDZSA-N -1 0 330.409 3.819 20 0 EHADRM COc1ccc(OC(C)C)c(NCc2ccc(C(=O)[O-])cc2F)c1 ZINC001599601233 993818070 /nfs/dbraw/zinc/81/80/70/993818070.db2.gz TVUXQLHPQSDSSE-UHFFFAOYSA-N -1 0 333.359 3.932 20 0 EHADRM COc1ccc(OC)c([C@@H](C)NCc2cc(C(=O)[O-])ccc2Cl)c1 ZINC001599602160 993831923 /nfs/dbraw/zinc/83/19/23/993831923.db2.gz LITOLKPXAQNKBH-LLVKDONJSA-N -1 0 349.814 3.906 20 0 EHADRM C[C@@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1ccc(Oc2ccccc2)cc1 ZINC001593142493 993936387 /nfs/dbraw/zinc/93/63/87/993936387.db2.gz VCSYAUUKMLRNNU-JEBQAFNWSA-N -1 0 339.391 3.767 20 0 EHADRM C[C@@H](NC(=O)c1ccc(F)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593161249 993992220 /nfs/dbraw/zinc/99/22/20/993992220.db2.gz AEHWMVVWUKSYPT-BXUZGUMPSA-N -1 0 349.789 3.541 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2CC(=O)O[C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC001599620485 994074231 /nfs/dbraw/zinc/07/42/31/994074231.db2.gz HXDWBQGUPCRXAH-JLJPHGGASA-N -1 0 346.404 3.619 20 0 EHADRM C[C@@H](NC(=O)c1ccsc1C(=O)[O-])c1ccccc1OC(F)F ZINC001593183322 994075287 /nfs/dbraw/zinc/07/52/87/994075287.db2.gz AIVUMBWCSSYCGK-MRVPVSSYSA-N -1 0 341.335 3.539 20 0 EHADRM COc1ccc2[nH]c(C(=O)OCc3cc(C(=O)[O-])sc3C)cc2c1 ZINC001599623031 994110511 /nfs/dbraw/zinc/11/05/11/994110511.db2.gz PDDDHWSUBJULCY-UHFFFAOYSA-N -1 0 345.376 3.602 20 0 EHADRM C[C@@H](N[C@@H](C(=O)[O-])c1ccsc1)c1ccc(NC(=O)C2CC2)cc1 ZINC001593194307 994133726 /nfs/dbraw/zinc/13/37/26/994133726.db2.gz DULCWERVZVAIPM-BDJLRTHQSA-N -1 0 344.436 3.573 20 0 EHADRM COc1ccc2c(c1)[C@@H](C(=O)O[C@H](C(=O)[O-])c1ccsc1)CCC2 ZINC001599625621 994143874 /nfs/dbraw/zinc/14/38/74/994143874.db2.gz OCBHTHQRERBUGA-HOCLYGCPSA-N -1 0 346.404 3.546 20 0 EHADRM COc1ccc2c(c1)[C@H](c1nc(-c3ccc(C(=O)[O-])cc3)no1)CC2 ZINC001599626066 994150919 /nfs/dbraw/zinc/15/09/19/994150919.db2.gz YEANJOXGZDBGRG-OAHLLOKOSA-N -1 0 336.347 3.522 20 0 EHADRM O=C([O-])CCN(C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000238046008 1015840233 /nfs/dbraw/zinc/84/02/33/1015840233.db2.gz IQHREUVIHRHSAE-NEPJUHHUSA-N -1 0 342.222 3.563 20 0 EHADRM COc1ccc2cc(C(=O)Nc3ccc(F)cc3C(=O)[O-])sc2c1 ZINC001599635782 994285295 /nfs/dbraw/zinc/28/52/95/994285295.db2.gz CZGARADNUDCCLX-UHFFFAOYSA-N -1 0 345.351 4.000 20 0 EHADRM C[C@H](N[C@@H]1CCCc2ccc(C(=O)[O-])cc21)c1c(F)cncc1F ZINC001593219672 994303198 /nfs/dbraw/zinc/30/31/98/994303198.db2.gz PCNCWMPEVFRWBN-MGPLVRAMSA-N -1 0 332.350 3.786 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)CCc1ccc(C)cc1C ZINC001599644362 994404258 /nfs/dbraw/zinc/40/42/58/994404258.db2.gz ONVILGKEQXFLND-UHFFFAOYSA-N -1 0 328.364 3.548 20 0 EHADRM COc1cccc([C@H](C(=O)[O-])N(C)C(=O)C[C@@H]2CCCCC2(C)C)c1 ZINC001599648030 994453553 /nfs/dbraw/zinc/45/35/53/994453553.db2.gz OYCOOVJFAFCVIH-MAUKXSAKSA-N -1 0 347.455 3.886 20 0 EHADRM COc1cccc(C(C)(C)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC001599649099 994468358 /nfs/dbraw/zinc/46/83/58/994468358.db2.gz IJNCJQCFLTUECG-UHFFFAOYSA-N -1 0 327.380 3.618 20 0 EHADRM COc1cccc(/C(C)=C\C(=O)OC2CCC(CC(=O)[O-])CC2)c1 ZINC001599654093 994551363 /nfs/dbraw/zinc/55/13/63/994551363.db2.gz FRALCMBCNDJVPT-RAXLEYEMSA-N -1 0 332.396 3.675 20 0 EHADRM COc1cccc(/C(C)=C\C(=O)O[C@H](C)c2cc(C(=O)[O-])co2)c1 ZINC001599654309 994553865 /nfs/dbraw/zinc/55/38/65/994553865.db2.gz KQWJOZWQNSDOID-SEVUFMINSA-N -1 0 330.336 3.694 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])c1 ZINC001599655556 994573026 /nfs/dbraw/zinc/57/30/26/994573026.db2.gz UCWSMAHKTPXVGZ-UWWQBHOKSA-N -1 0 347.455 3.729 20 0 EHADRM COc1cccc(C(F)F)c1C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001599655933 994579980 /nfs/dbraw/zinc/57/99/80/994579980.db2.gz AYELKMBXJCFIFZ-UHFFFAOYSA-N -1 0 335.306 3.892 20 0 EHADRM C[C@@](NCc1c(F)cccc1Cl)(C(=O)[O-])c1ccc(F)cc1 ZINC001593285397 994635422 /nfs/dbraw/zinc/63/54/22/994635422.db2.gz DKZAORPXLBZXLW-INIZCTEOSA-N -1 0 325.742 3.708 20 0 EHADRM COc1cccc([C@@H](Sc2nc3ccccc3nc2C)C(=O)[O-])c1 ZINC001599662345 994675481 /nfs/dbraw/zinc/67/54/81/994675481.db2.gz YCJQJIGAEPEEKF-MRXNPFEDSA-N -1 0 340.404 3.865 20 0 EHADRM COc1cccc([C@H]2CCCN2C(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC001599666296 994734606 /nfs/dbraw/zinc/73/46/06/994734606.db2.gz OXAWQHCRSBTTTD-QGZVFWFLSA-N -1 0 343.354 3.510 20 0 EHADRM COc1cccc(C[C@H](C)Nc2nc(Cl)c(C(=O)[O-])s2)c1 ZINC001599666989 994746121 /nfs/dbraw/zinc/74/61/21/994746121.db2.gz VPAKZSNBOOCONP-QMMMGPOBSA-N -1 0 326.805 3.546 20 0 EHADRM C[C@@H](NCc1csc(-c2cccc(C(=O)[O-])c2)n1)c1cccnc1 ZINC001593311178 994778668 /nfs/dbraw/zinc/77/86/68/994778668.db2.gz DHADQALOGMHLNE-GFCCVEGCSA-N -1 0 339.420 3.754 20 0 EHADRM C[C@@](NCc1coc(-c2cccs2)n1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593311825 994788873 /nfs/dbraw/zinc/78/88/73/994788873.db2.gz JTMIDMMDTLQMOF-KRWDZBQOSA-N -1 0 346.383 3.632 20 0 EHADRM COc1cccc(CCCOC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC001599672435 994836794 /nfs/dbraw/zinc/83/67/94/994836794.db2.gz RGTAPAGRXZYFGE-UHFFFAOYSA-N -1 0 346.423 3.596 20 0 EHADRM COc1cccc(Nc2ccc(NCc3ccc(C(=O)[O-])o3)nc2)c1 ZINC001599680609 994975674 /nfs/dbraw/zinc/97/56/74/994975674.db2.gz ZZNVTDOFFUBGOQ-UHFFFAOYSA-N -1 0 339.351 3.737 20 0 EHADRM C[C@@H](Nc1ccc2c(c1)nc(C1CC1)n2C)c1ncc(C(=O)[O-])s1 ZINC001593365926 995046441 /nfs/dbraw/zinc/04/64/41/995046441.db2.gz OWSWGGUSYDSWRQ-SECBINFHSA-N -1 0 342.424 3.779 20 0 EHADRM C[C@H](Nc1ccc2c(c1)[C@@H](O)CCCC2)c1ncc(C(=O)[O-])s1 ZINC001593365930 995046889 /nfs/dbraw/zinc/04/68/89/995046889.db2.gz PBLIPBHKPOCODN-HZMBPMFUSA-N -1 0 332.425 3.774 20 0 EHADRM C[C@@H](Nc1cnc2c(ccc(F)c2F)c1)c1ncc(C(=O)[O-])s1 ZINC001593367894 995060571 /nfs/dbraw/zinc/06/05/71/995060571.db2.gz RUUJOAYYYKICMX-SSDOTTSWSA-N -1 0 335.335 3.841 20 0 EHADRM C[C@@H](Nc1nccc(C(=O)[O-])n1)c1cc(F)c(Cl)cc1Cl ZINC001593373980 995071497 /nfs/dbraw/zinc/07/14/97/995071497.db2.gz MIQXBXVEDNUFMQ-ZCFIWIBFSA-N -1 0 330.146 3.794 20 0 EHADRM O=C([O-])CCN(C(=O)c1cc2c(s1)-c1ccccc1CC2)C1CC1 ZINC000238059955 1015922567 /nfs/dbraw/zinc/92/25/67/1015922567.db2.gz SQXDHYGUYBYLNC-UHFFFAOYSA-N -1 0 341.432 3.593 20 0 EHADRM COC(=O)[C@@H](S[C@H](C)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001598711234 995351354 /nfs/dbraw/zinc/35/13/54/995351354.db2.gz IUZLOYJVDLEKIW-PELKAZGASA-N -1 0 336.331 3.516 20 0 EHADRM COC(=O)[C@H](S[C@@H](C)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001598711246 995351692 /nfs/dbraw/zinc/35/16/92/995351692.db2.gz IUZLOYJVDLEKIW-QPUJVOFHSA-N -1 0 336.331 3.516 20 0 EHADRM C[C@H](OC(=O)C(F)(F)c1c(F)cccc1F)c1ccc(C(=O)[O-])o1 ZINC001593491704 995467199 /nfs/dbraw/zinc/46/71/99/995467199.db2.gz VKFXRWDCUVQFQZ-ZETCQYMHSA-N -1 0 346.232 3.652 20 0 EHADRM C[C@@H](OC(=O)C12CC(C(=O)[O-])(C1)C2)c1nc(-c2ccccc2)cs1 ZINC001593497088 995481369 /nfs/dbraw/zinc/48/13/69/995481369.db2.gz VUDGFJRKUVRTMA-IPPDQLOFSA-N -1 0 343.404 3.669 20 0 EHADRM C[C@@H](OC(=O)[C@@H]1CCSc2ccccc21)c1cc(C(=O)[O-])co1 ZINC001593513160 995521462 /nfs/dbraw/zinc/52/14/62/995521462.db2.gz DCNDCSWUEPCBOX-ZWNOBZJWSA-N -1 0 332.377 3.862 20 0 EHADRM C[C@H](OC(=O)CCCc1ccc(Cl)cc1)c1nc(C(=O)[O-])co1 ZINC001593525598 995564326 /nfs/dbraw/zinc/56/43/26/995564326.db2.gz MOMDAKVCIMIUPQ-JTQLQIEISA-N -1 0 337.759 3.653 20 0 EHADRM C[C@@H](OC(=O)COc1ccc(Cl)cc1C1CCCCC1)C(=O)[O-] ZINC001593534249 995585910 /nfs/dbraw/zinc/58/59/10/995585910.db2.gz SYFVKBXANUWBNY-LLVKDONJSA-N -1 0 340.803 3.783 20 0 EHADRM C[C@H](OC(=O)c1cn(C)nc1C1CCCCC1)c1cc(C(=O)[O-])co1 ZINC001593598192 995743486 /nfs/dbraw/zinc/74/34/86/995743486.db2.gz XCHMUOHFWAEYLI-NSHDSACASA-N -1 0 346.383 3.677 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-] ZINC001593603388 995769326 /nfs/dbraw/zinc/76/93/26/995769326.db2.gz UNODTYNKGATDRA-HZPDHXFCSA-N -1 0 347.455 3.616 20 0 EHADRM C[C@@H](Oc1ccc(CN2CCc3cccc(F)c3[C@H]2C)cc1)C(=O)[O-] ZINC001593615652 995836718 /nfs/dbraw/zinc/83/67/18/995836718.db2.gz NTSIIBSXHNESBD-ZIAGYGMSSA-N -1 0 343.398 3.797 20 0 EHADRM C[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC001593620622 995870605 /nfs/dbraw/zinc/87/06/05/995870605.db2.gz KTQHJXLRSQXKMB-QWRGUYRKSA-N -1 0 349.333 3.559 20 0 EHADRM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N([C@@H](C)C(=O)[O-])C1CCC1 ZINC001593635076 995931044 /nfs/dbraw/zinc/93/10/44/995931044.db2.gz LSIVNLYHSXWVBJ-KBPBESRZSA-N -1 0 347.455 3.606 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)C(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])c1 ZINC001593636134 995936193 /nfs/dbraw/zinc/93/61/93/995936193.db2.gz IRURNKJXTBMFHF-VHFSOBRXSA-N -1 0 347.455 3.727 20 0 EHADRM CC(C)CN(CC(C)C)C(=O)c1cccc(Br)c1[O-] ZINC000536689217 1032134559 /nfs/dbraw/zinc/13/45/59/1032134559.db2.gz SDQUCNUAMIVJDE-UHFFFAOYSA-N -1 0 328.250 3.909 20 0 EHADRM C[C@@H](Sc1ccc(F)cc1)C(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC001593667761 996059952 /nfs/dbraw/zinc/05/99/52/996059952.db2.gz TVCFXBWOFJWZPT-GFCCVEGCSA-N -1 0 339.432 3.552 20 0 EHADRM C[C@@H](Sc1nc(C(=O)[O-])cs1)c1nc(-c2ccccc2)no1 ZINC001593679250 996098753 /nfs/dbraw/zinc/09/87/53/996098753.db2.gz HKTWCKLBRZAQMU-MRVPVSSYSA-N -1 0 333.394 3.745 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001593692333 996138323 /nfs/dbraw/zinc/13/83/23/996138323.db2.gz BAPRYRGKWGELSW-QMMMGPOBSA-N -1 0 341.194 3.853 20 0 EHADRM C[C@@H](c1nc(-c2cc(C(=O)[O-])co2)no1)[C@H]1OCCc2sccc21 ZINC001593723714 996259434 /nfs/dbraw/zinc/25/94/34/996259434.db2.gz DAOCBWVGSKSABG-AMIZOPFISA-N -1 0 346.364 3.507 20 0 EHADRM C[C@H](c1nc(-c2cc(C(=O)[O-])co2)no1)[C@H]1OCCc2sccc21 ZINC001593723715 996259711 /nfs/dbraw/zinc/25/97/11/996259711.db2.gz DAOCBWVGSKSABG-ISVAXAHUSA-N -1 0 346.364 3.507 20 0 EHADRM C[C@H](c1ncc(C(=O)[O-])s1)N1Cc2ccccc2OC2(CCC2)C1 ZINC001593737345 996333958 /nfs/dbraw/zinc/33/39/58/996333958.db2.gz NFJQIGKBZZWVNL-GFCCVEGCSA-N -1 0 344.436 3.720 20 0 EHADRM C[C@@]1(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)CCc2ccccc2C1 ZINC001593757729 996410024 /nfs/dbraw/zinc/41/00/24/996410024.db2.gz BERXOERZSHNADO-OAQYLSRUSA-N -1 0 348.402 4.000 20 0 EHADRM C[C@]1(C(=O)Nc2ccc(Oc3ccnc(C(=O)[O-])c3)cc2)C=CCC1 ZINC001593759654 996416446 /nfs/dbraw/zinc/41/64/46/996416446.db2.gz IXYZERFZNRLKAZ-IBGZPJMESA-N -1 0 338.363 3.867 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)/C=C/c2ccc(F)c3ccccc23)C1 ZINC001593766857 996448649 /nfs/dbraw/zinc/44/86/49/996448649.db2.gz ZOPIKWCSBQHUNO-MFUYTVRRSA-N -1 0 341.382 3.705 20 0 EHADRM COC(=O)C[C@@H](C)S[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001598837522 996497918 /nfs/dbraw/zinc/49/79/18/996497918.db2.gz FPASTMRLUIIAOW-PELKAZGASA-N -1 0 336.331 3.516 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(c2nc(Cl)c(C(F)(F)F)cc2Cl)C1 ZINC001593801012 996521814 /nfs/dbraw/zinc/52/18/14/996521814.db2.gz KSHOWABGDBYUGG-NSHDSACASA-N -1 0 343.132 3.708 20 0 EHADRM CC1(C(=O)[O-])CN(C(=O)C2(Cc3cccc(Cl)c3)CCCCC2)C1 ZINC001593802023 996526232 /nfs/dbraw/zinc/52/62/32/996526232.db2.gz LNBGUZCVIDKSIL-UHFFFAOYSA-N -1 0 349.858 3.766 20 0 EHADRM CC1(C(=O)[O-])CN(C(=O)c2csc(-c3ccc(Cl)cc3)c2)C1 ZINC001593808946 996543012 /nfs/dbraw/zinc/54/30/12/996543012.db2.gz YEWHBCGITBRSCK-UHFFFAOYSA-N -1 0 335.812 3.615 20 0 EHADRM CC1(C)C(C)(C)C1(C)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001593831309 996575515 /nfs/dbraw/zinc/57/55/15/996575515.db2.gz VSKZKPLWGSZFAL-UHFFFAOYSA-N -1 0 326.343 3.609 20 0 EHADRM CC1(C)C[C@H](c2ccccc2)N(C(=O)/C=C/c2cc(C(=O)[O-])co2)C1 ZINC001593863600 996663843 /nfs/dbraw/zinc/66/38/43/996663843.db2.gz KWJSWXDDNSGKGX-KBOKABMXSA-N -1 0 339.391 3.991 20 0 EHADRM CC1(C)C[C@@]1(C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21)c1ccccc1 ZINC001593863812 996664524 /nfs/dbraw/zinc/66/45/24/996664524.db2.gz NQKFFYCPOVFAHD-QRQCRPRQSA-N -1 0 349.430 3.959 20 0 EHADRM CC1(C)C[C@]1(C(=O)NCC1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC001593863755 996664605 /nfs/dbraw/zinc/66/46/05/996664605.db2.gz MBVXOJUPJWVTJP-HXUWFJFHSA-N -1 0 329.440 3.506 20 0 EHADRM CC1(C)C[C@H](SCc2c(Br)cccc2C(=O)[O-])CO1 ZINC001593864301 996665495 /nfs/dbraw/zinc/66/54/95/996665495.db2.gz RISJXFWABLSDOB-VIFPVBQESA-N -1 0 345.258 3.948 20 0 EHADRM CC1(C)C[C@@H](c2ccccc2)N(C(=O)/C=C\c2ccc(C(=O)[O-])o2)C1 ZINC001593864535 996666837 /nfs/dbraw/zinc/66/68/37/996666837.db2.gz WUMFUKSKHJLMEZ-SLWQEBJJSA-N -1 0 339.391 3.991 20 0 EHADRM CC1(C)CC[C@@H](CNC(=O)NCCCCCC(=O)[O-])c2ccccc21 ZINC001593878736 996705310 /nfs/dbraw/zinc/70/53/10/996705310.db2.gz XJUTXEPLUFNGRN-HNNXBMFYSA-N -1 0 346.471 3.786 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)Nc2cc(C(=O)[O-])cc3cccnc32)C1 ZINC001593882049 996712856 /nfs/dbraw/zinc/71/28/56/996712856.db2.gz LZWGBXOLBBVING-CYBMUJFWSA-N -1 0 327.384 3.633 20 0 EHADRM C[C@]1(c2ccccc2)C[C@H]1C(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001593891725 996737442 /nfs/dbraw/zinc/73/74/42/996737442.db2.gz FPWCPFOPRIEZPS-BEVDRBHNSA-N -1 0 329.440 3.504 20 0 EHADRM CC1(C)CCC[C@@H]1[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC001593897000 996756576 /nfs/dbraw/zinc/75/65/76/996756576.db2.gz HOXKYULMVUZBEL-DZGCQCFKSA-N -1 0 333.403 3.812 20 0 EHADRM CC1(C)CCC[C@](O)(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)C1 ZINC001593899327 996763518 /nfs/dbraw/zinc/76/35/18/996763518.db2.gz JBGMWWVYLNQCKJ-HXUWFJFHSA-N -1 0 341.407 3.808 20 0 EHADRM CC1(C)CCCC[C@@H]1CC(=O)N1CCOc2ccccc2[C@H]1C(=O)[O-] ZINC001593905363 996786875 /nfs/dbraw/zinc/78/68/75/996786875.db2.gz SAKWXXBLKHPTHT-KDOFPFPSSA-N -1 0 345.439 3.640 20 0 EHADRM CC1(C)CCCC[C@@H]1CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001593905688 996788676 /nfs/dbraw/zinc/78/86/76/996788676.db2.gz XGQBDBVPXGYMOC-GDBMZVCRSA-N -1 0 335.419 3.544 20 0 EHADRM COC[C@@H](NCc1cccc(C(=O)[O-])c1Cl)c1ccc(F)cc1 ZINC001599176288 996849514 /nfs/dbraw/zinc/84/95/14/996849514.db2.gz GRRQMTNDAKKMBG-OAHLLOKOSA-N -1 0 337.778 3.655 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)/C=C\C2CCCCCC2)c1F ZINC001599486968 996867815 /nfs/dbraw/zinc/86/78/15/996867815.db2.gz BBDOZJKDWPFXGE-FLIBITNWSA-N -1 0 335.375 3.998 20 0 EHADRM COC[C@@H](Nc1ncc(C(=O)[O-])cc1Cl)c1cccc(Cl)c1 ZINC001599177558 996879251 /nfs/dbraw/zinc/87/92/51/996879251.db2.gz CIKJGKHLDOKRHC-CYBMUJFWSA-N -1 0 341.194 3.886 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccc(F)cc2C(=O)[O-])[C@H]1c1cccnc1 ZINC001593934281 996898798 /nfs/dbraw/zinc/89/87/98/996898798.db2.gz BZDPZSXMDIKOKE-HNNXBMFYSA-N -1 0 343.358 3.534 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)c1F ZINC001599490106 996922519 /nfs/dbraw/zinc/92/25/19/996922519.db2.gz SDVLJPNOWYUCNZ-AAEUAGOBSA-N -1 0 335.375 3.709 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)Cc2coc3cc(C)ccc23)c1 ZINC001599491422 996946048 /nfs/dbraw/zinc/94/60/48/996946048.db2.gz VKLWDILZQODZER-UHFFFAOYSA-N -1 0 340.331 3.596 20 0 EHADRM COCc1cc(N[C@@H](C)Cc2ccc(OC)cc2)cc(C(=O)[O-])c1 ZINC001599288059 997015301 /nfs/dbraw/zinc/01/53/01/997015301.db2.gz OQMZEQLGDRNFMK-ZDUSSCGKSA-N -1 0 329.396 3.583 20 0 EHADRM COc1cc(C)c(OC(=O)CCc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC001599392751 997068469 /nfs/dbraw/zinc/06/84/69/997068469.db2.gz YZXFMZYJKBLMQN-UHFFFAOYSA-N -1 0 328.364 3.548 20 0 EHADRM COc1cc(C)ccc1C(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC001599393782 997087140 /nfs/dbraw/zinc/08/71/40/997087140.db2.gz IKEKZQFZBIYNJZ-UHFFFAOYSA-N -1 0 331.393 3.676 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)C[C@@H]1CCCC[C@H]1C ZINC001599396252 997131748 /nfs/dbraw/zinc/13/17/48/997131748.db2.gz MAKUXHYIBCUMJU-PNTFSDHLSA-N -1 0 332.396 3.915 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)[C@@H]1CCCC[C@H]1C1CC1 ZINC001599396391 997133753 /nfs/dbraw/zinc/13/37/53/997133753.db2.gz MTMPSDZUDREMKG-ZTUZZKEQSA-N -1 0 344.407 3.915 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)C(C)(C)C1CCCC1 ZINC001599397471 997153868 /nfs/dbraw/zinc/15/38/68/997153868.db2.gz CGRTUXOXZLKKOY-PKNBQFBNSA-N -1 0 332.396 3.915 20 0 EHADRM CO[C@@]1(C)CCCN(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)C1 ZINC001599088945 997153999 /nfs/dbraw/zinc/15/39/99/997153999.db2.gz ZASUFUKIVSQLDI-IBGZPJMESA-N -1 0 342.395 3.571 20 0 EHADRM COc1ccc(C(=O)Oc2cccc(C(=O)[O-])c2)c(OCC(C)C)c1 ZINC001599505541 997205566 /nfs/dbraw/zinc/20/55/66/997205566.db2.gz PGWPNYYZDLOUJX-UHFFFAOYSA-N -1 0 344.363 3.647 20 0 EHADRM CC1(C)[C@H](C(=O)NC2(C(=O)[O-])CCCCCC2)[C@H]1c1ccccc1 ZINC001593987275 997228186 /nfs/dbraw/zinc/22/81/86/997228186.db2.gz OQBXAHWAVGOKDA-CVEARBPZSA-N -1 0 329.440 3.720 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)cc1 ZINC001599507372 997234051 /nfs/dbraw/zinc/23/40/51/997234051.db2.gz XSHWQPNXDSGTNE-SNVBAGLBSA-N -1 0 349.333 3.804 20 0 EHADRM COCc1nc(COc2cccc3sc(C(=O)[O-])cc32)cs1 ZINC001599301203 997236200 /nfs/dbraw/zinc/23/62/00/997236200.db2.gz BZFXLECMGGAQDV-UHFFFAOYSA-N -1 0 335.406 3.781 20 0 EHADRM COCc1nc(NC(=O)CCCC2CCCCC2)sc1C(=O)[O-] ZINC001599304479 997289487 /nfs/dbraw/zinc/28/94/87/997289487.db2.gz MZLZLJMPKYSUQQ-UHFFFAOYSA-N -1 0 340.445 3.677 20 0 EHADRM COCc1sccc1C(=O)Nc1c(C)cc(Cl)cc1C(=O)[O-] ZINC001599307888 997357940 /nfs/dbraw/zinc/35/79/40/997357940.db2.gz WNGJBUVWMZFRLU-UHFFFAOYSA-N -1 0 339.800 3.807 20 0 EHADRM CO[C@@H]1CCC[C@@H](C(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)C1 ZINC001599101798 997397793 /nfs/dbraw/zinc/39/77/93/997397793.db2.gz BUCKOWFBFJSKRR-IXDOHACOSA-N -1 0 339.476 3.512 20 0 EHADRM CON(C(=O)c1ccc(-c2cccc(C(C)C)c2)o1)[C@@H](C)CC(=O)[O-] ZINC001599311139 997417015 /nfs/dbraw/zinc/41/70/15/997417015.db2.gz JDMPWRAOZCSZDB-ZDUSSCGKSA-N -1 0 345.395 3.937 20 0 EHADRM COc1cc(CNC(=O)N2CCC[C@H]2CCC(C)C)ccc1C(=O)[O-] ZINC001599412725 997452729 /nfs/dbraw/zinc/45/27/29/997452729.db2.gz YZSRQWNGGJPMIF-HNNXBMFYSA-N -1 0 348.443 3.504 20 0 EHADRM CON(C[C@H]1CCCc2ccccc21)C(=O)c1ccc(C(=O)[O-])s1 ZINC001599317724 997528875 /nfs/dbraw/zinc/52/88/75/997528875.db2.gz SZOBBJZANUOWBA-CYBMUJFWSA-N -1 0 345.420 3.570 20 0 EHADRM COc1cc(Cl)c(CN2CCC3(C[C@H]3C(=O)[O-])CC2)cc1Cl ZINC001599418246 997547261 /nfs/dbraw/zinc/54/72/61/997547261.db2.gz BCXFSWFCUOEMHA-NSHDSACASA-N -1 0 344.238 3.689 20 0 EHADRM COc1cc(Cl)c(NC(=O)c2ccc(C(=O)[O-])s2)cc1C ZINC001599420114 997579446 /nfs/dbraw/zinc/57/94/46/997579446.db2.gz YIPNACMVETZKHK-UHFFFAOYSA-N -1 0 325.773 3.669 20 0 EHADRM CO[C@H]1CCC[C@@H](CC(=O)Nc2cc(F)cc(Cl)c2C(=O)[O-])C1 ZINC001599113347 997609287 /nfs/dbraw/zinc/60/92/87/997609287.db2.gz RSUDQHVZCVWWGP-KOLCDFICSA-N -1 0 343.782 3.711 20 0 EHADRM COCCC1(CNC(=O)Nc2ccc(C)c(C(=O)[O-])c2)CCCCC1 ZINC001599218445 997623933 /nfs/dbraw/zinc/62/39/33/997623933.db2.gz JFLWZBVQVUHWPO-UHFFFAOYSA-N -1 0 348.443 3.802 20 0 EHADRM COc1cc(F)c([C@@H](C)N[C@H](C)c2cc(C(=O)[O-])co2)cc1OC ZINC001599425640 997670517 /nfs/dbraw/zinc/67/05/17/997670517.db2.gz MUGHSTWOQSOJRY-NXEZZACHSA-N -1 0 337.347 3.546 20 0 EHADRM C[C@@]1(Cc2cccs2)CCCN1C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001594044004 997684040 /nfs/dbraw/zinc/68/40/40/997684040.db2.gz URMIZNJAFGANPT-IBGZPJMESA-N -1 0 343.448 3.613 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cc(C)sc2C)n(-c2ccccc2)n1 ZINC000340036692 1016147622 /nfs/dbraw/zinc/14/76/22/1016147622.db2.gz AJAUWXPDLXUIEP-UHFFFAOYSA-N -1 0 347.465 3.660 20 0 EHADRM COC(=O)c1cc(CN(c2cccc(F)c2)C(C)C)cc(C(=O)[O-])c1 ZINC001598929504 997718232 /nfs/dbraw/zinc/71/82/32/997718232.db2.gz NCWUUJSVFSDESA-UHFFFAOYSA-N -1 0 345.370 3.726 20 0 EHADRM COCCC[C@H](Cc1ccccc1)Nc1ncc(C(=O)[O-])cc1Cl ZINC001599225564 997751653 /nfs/dbraw/zinc/75/16/53/997751653.db2.gz RDARJCKOCSGFTK-OAHLLOKOSA-N -1 0 348.830 3.883 20 0 EHADRM COc1c(C)ccc(N[C@H](C)c2ccccc2OCC(=O)[O-])c1C ZINC001599332981 997780568 /nfs/dbraw/zinc/78/05/68/997780568.db2.gz RBJCLQPJVWTCPL-CQSZACIVSA-N -1 0 329.396 3.949 20 0 EHADRM C[C@@]1(NC(=O)c2cnc(Cl)c3ccccc23)CCCC[C@@H]1C(=O)[O-] ZINC001594055861 997791169 /nfs/dbraw/zinc/79/11/69/997791169.db2.gz KPUMDFCSLMYTKT-RDTXWAMCSA-N -1 0 346.814 3.652 20 0 EHADRM COc1cc(NC(=O)[C@@H](C)CCC(C)(C)C)c(C(=O)[O-])cc1OC ZINC001599433455 997801702 /nfs/dbraw/zinc/80/17/02/997801702.db2.gz SYXRZAXWQKCGBE-NSHDSACASA-N -1 0 337.416 3.803 20 0 EHADRM COc1cc(NC(=O)N2C[C@H](C(C)C)[C@@H]2C(C)C)ccc1C(=O)[O-] ZINC001599433863 997806759 /nfs/dbraw/zinc/80/67/59/997806759.db2.gz MQNOMRWZOVDENW-ZBFHGGJFSA-N -1 0 334.416 3.538 20 0 EHADRM COC(=O)c1cc(CNc2c(C)cccc2SC)cc(C(=O)[O-])c1 ZINC001598933599 997819478 /nfs/dbraw/zinc/81/94/78/997819478.db2.gz NXTQLIWPPDAAAY-UHFFFAOYSA-N -1 0 345.420 3.814 20 0 EHADRM COC(=O)c1cc(CSCc2cccc(OC)c2)cc(C(=O)[O-])c1 ZINC001598934961 997846476 /nfs/dbraw/zinc/84/64/76/997846476.db2.gz ZGASXESKTLBDJR-UHFFFAOYSA-N -1 0 346.404 3.613 20 0 EHADRM CC1(Nc2cc(C(F)(F)F)c(C(=O)[O-])cn2)Cc2ccccc2C1 ZINC001594066247 997880909 /nfs/dbraw/zinc/88/09/09/997880909.db2.gz YFSAGXFMTKUXPQ-UHFFFAOYSA-N -1 0 336.313 3.768 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1cnc2ccccc2c1 ZINC001599544467 997900642 /nfs/dbraw/zinc/90/06/42/997900642.db2.gz HLXLRSBTORDMOM-VQHVLOKHSA-N -1 0 349.342 3.560 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1Oc1ncnc2scc(C)c21 ZINC001599546119 997925716 /nfs/dbraw/zinc/92/57/16/997925716.db2.gz LQYLDXVBSIMZPD-GQCTYLIASA-N -1 0 342.376 3.898 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1cc(C)ccc1C ZINC001599546820 997937003 /nfs/dbraw/zinc/93/70/03/997937003.db2.gz QNTJOWUTZVIJMQ-VQHVLOKHSA-N -1 0 326.348 3.629 20 0 EHADRM COc1cc(NC(=O)c2cc3sccc3c(O)c2)ccc1C(=O)[O-] ZINC001599441593 997938602 /nfs/dbraw/zinc/93/86/02/997938602.db2.gz RBUFCPOOTGNHDF-UHFFFAOYSA-N -1 0 343.360 3.566 20 0 EHADRM C[C@@]1(c2ccccc2)CN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CCO1 ZINC001594079144 997961600 /nfs/dbraw/zinc/96/16/00/997961600.db2.gz MYKRVYHKIGHLKS-HKUYNNGSSA-N -1 0 345.826 3.713 20 0 EHADRM C[C@]1(c2ccccc2)CCCN1C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001594079768 997974396 /nfs/dbraw/zinc/97/43/96/997974396.db2.gz RMFTZPPFNJGDEF-OLHLWXQYSA-N -1 0 325.364 3.529 20 0 EHADRM COc1cc(N[C@H](C(=O)[O-])c2ccccc2C)cc(Cl)c1OC ZINC001599443974 997977213 /nfs/dbraw/zinc/97/72/13/997977213.db2.gz AYVFAPNIPXWGTM-HNNXBMFYSA-N -1 0 335.787 3.903 20 0 EHADRM C[C@]1(c2ccccc2)CCCN(C(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC001594079903 997977377 /nfs/dbraw/zinc/97/73/77/997977377.db2.gz YVLIDHPBRJMROP-NRFANRHFSA-N -1 0 337.419 3.969 20 0 EHADRM COc1c(NCc2ccc(-c3cccc(C)c3)cc2)ncnc1C(=O)[O-] ZINC001599344552 997979584 /nfs/dbraw/zinc/97/95/84/997979584.db2.gz NGIOBCOMUFDQBW-UHFFFAOYSA-N -1 0 349.390 3.771 20 0 EHADRM COc1ccc(C[C@@H](C)CN(C)c2ncc(C(=O)[O-])cc2Cl)cc1 ZINC001599549994 997990500 /nfs/dbraw/zinc/99/05/00/997990500.db2.gz HMPFYXCSGSODCR-GFCCVEGCSA-N -1 0 348.830 3.757 20 0 EHADRM COc1cc(OC(=O)[C@H](C)c2cccc(Cl)c2)ccc1C(=O)[O-] ZINC001599446239 998014391 /nfs/dbraw/zinc/01/43/91/998014391.db2.gz PVKCGFPPPDPODG-SNVBAGLBSA-N -1 0 334.755 3.756 20 0 EHADRM COc1cc(-c2noc(-c3cccc(C(=O)[O-])c3)n2)c2ccccc2n1 ZINC001599346668 998017874 /nfs/dbraw/zinc/01/78/74/998017874.db2.gz HLJNBVRAAAUHRD-UHFFFAOYSA-N -1 0 347.330 3.659 20 0 EHADRM CO[C@H]1Cc2ccc(N[C@H](C(=O)[O-])c3c(F)cccc3Cl)cc2C1 ZINC001599137758 998072901 /nfs/dbraw/zinc/07/29/01/998072901.db2.gz CDVSCFBEDRGCCW-GUYCJALGSA-N -1 0 349.789 3.831 20 0 EHADRM Cc1ccc(N2C(=O)N[C@@H](c3cccs3)C(C(=O)[O-])=C2C)cc1F ZINC001594098325 998079545 /nfs/dbraw/zinc/07/95/45/998079545.db2.gz SCTQEAJLTDSZKR-HNNXBMFYSA-N -1 0 346.383 3.825 20 0 EHADRM COC(=O)c1cc(NC(=O)c2ccccc2C(C)C)ccc1C(=O)[O-] ZINC001598948141 998093790 /nfs/dbraw/zinc/09/37/90/998093790.db2.gz ONAGFCRJYHYRJQ-UHFFFAOYSA-N -1 0 341.363 3.547 20 0 EHADRM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CC(C)(C)c3ccccc32)c1 ZINC001599450950 998097836 /nfs/dbraw/zinc/09/78/36/998097836.db2.gz OXSGQVRFVCVQRI-SFHVURJKSA-N -1 0 341.407 3.627 20 0 EHADRM COc1cc(OC)cc([C@@H](N[C@H](C)c2ccc(C)s2)C(=O)[O-])c1 ZINC001599451823 998116331 /nfs/dbraw/zinc/11/63/31/998116331.db2.gz BEAUVUBTBQFTGH-BDJLRTHQSA-N -1 0 335.425 3.550 20 0 EHADRM COc1ccc(CN(C)[C@@H](C(=O)[O-])c2ccccc2Cl)c(OC)c1 ZINC001599559263 998157343 /nfs/dbraw/zinc/15/73/43/998157343.db2.gz UOBFJMMMXVPAPM-QGZVFWFLSA-N -1 0 349.814 3.615 20 0 EHADRM COC(=O)c1cc2ccccc2cc1SCc1oncc1C(=O)[O-] ZINC001598956822 998258397 /nfs/dbraw/zinc/25/83/97/998258397.db2.gz NTJFXVSDZVSCJF-UHFFFAOYSA-N -1 0 343.360 3.605 20 0 EHADRM C[C@@H]1C(=O)CC[C@H](C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C1(C)C ZINC001594121345 998278460 /nfs/dbraw/zinc/27/84/60/998278460.db2.gz FQSCWPMAPABJKO-IUODEOHRSA-N -1 0 345.439 3.629 20 0 EHADRM CCN(CCNC(=O)c1ccc(Cl)cc1O)c1ccccc1C ZINC001625849132 1016206203 /nfs/dbraw/zinc/20/62/03/1016206203.db2.gz HKXDZFFZCYSGJO-UHFFFAOYSA-N -1 0 332.831 3.610 20 0 EHADRM C[C@@H]1[C@H](C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)[C@H]1c1ccccc1 ZINC001594136685 998381188 /nfs/dbraw/zinc/38/11/88/998381188.db2.gz RGLFXZXEGQXEIY-RVFRGNJDSA-N -1 0 335.403 3.641 20 0 EHADRM COc1ccc(CNc2cccc(CC(=O)[O-])n2)cc1C(C)(C)C ZINC001599574433 998419658 /nfs/dbraw/zinc/41/96/58/998419658.db2.gz GQZLGCOKTKYXTK-UHFFFAOYSA-N -1 0 328.412 3.627 20 0 EHADRM COc1ccc(COc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC001599574890 998426514 /nfs/dbraw/zinc/42/65/14/998426514.db2.gz ASUINDRXZRZMHK-UHFFFAOYSA-N -1 0 337.169 3.735 20 0 EHADRM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)C[C@H]1CCCCC1(C)C ZINC001598967013 998439740 /nfs/dbraw/zinc/43/97/40/998439740.db2.gz YPSHUBDPMZDPMX-CYBMUJFWSA-N -1 0 347.411 3.716 20 0 EHADRM COc1ccc(CSC[C@H]2CC(C(=O)[O-])=C(C)O2)cc1Cl ZINC001599576652 998454745 /nfs/dbraw/zinc/45/47/45/998454745.db2.gz QXSRSXLJEQZAEB-LLVKDONJSA-N -1 0 328.817 3.729 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1cc(F)c(Cl)cc1F ZINC001599374014 998458566 /nfs/dbraw/zinc/45/85/66/998458566.db2.gz HWSGAAUVWMQQFC-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 ZINC001594145236 998473392 /nfs/dbraw/zinc/47/33/92/998473392.db2.gz NVFDOCVUDOKVNA-HXEQCHOKSA-N -1 0 333.472 3.695 20 0 EHADRM COCCn1c2ccccc2nc1S[C@@H](C(=O)[O-])c1ccccc1 ZINC001599268496 998509798 /nfs/dbraw/zinc/50/97/98/998509798.db2.gz QNKJDHYIJRDRMS-MRXNPFEDSA-N -1 0 342.420 3.601 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)c1csc2c1CC[C@H](C)C2 ZINC001599378030 998520572 /nfs/dbraw/zinc/52/05/72/998520572.db2.gz GXWFANUJRSEHNN-JTQLQIEISA-N -1 0 346.404 3.799 20 0 EHADRM COc1ccc(Cn2ncc3ccc(Cl)c(C(=O)[O-])c32)cc1F ZINC001599580991 998530088 /nfs/dbraw/zinc/53/00/88/998530088.db2.gz UQQKEHMIOSVCFW-UHFFFAOYSA-N -1 0 334.734 3.584 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)c1ccc(C2CCC2)cc1 ZINC001599378994 998536047 /nfs/dbraw/zinc/53/60/47/998536047.db2.gz HJNKKMDUCILODJ-UHFFFAOYSA-N -1 0 326.348 3.880 20 0 EHADRM C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(C(=O)[O-])s1 ZINC001594174675 998669971 /nfs/dbraw/zinc/66/99/71/998669971.db2.gz SNRQPAMIFZWHPG-JGVFFNPUSA-N -1 0 336.335 3.641 20 0 EHADRM Cc1ccc(CCC(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])cc1Cl ZINC000683332559 1016234109 /nfs/dbraw/zinc/23/41/09/1016234109.db2.gz GJOBXQGHWYMKFV-KDOFPFPSSA-N -1 0 337.847 3.731 20 0 EHADRM C[C@H]1[C@H](Nc2cnn(-c3ccccc3Cl)c2)CC[C@H]1CC(=O)[O-] ZINC001594184081 998713081 /nfs/dbraw/zinc/71/30/81/998713081.db2.gz FAGROVWXISBSBG-TYNCELHUSA-N -1 0 333.819 3.827 20 0 EHADRM C[C@H]1[C@H](Nc2cc(F)c(N3CCCC3)c(F)c2)CC[C@H]1CC(=O)[O-] ZINC001594184228 998713973 /nfs/dbraw/zinc/71/39/73/998713973.db2.gz HPGWHTQXYRCUME-BFQNTYOBSA-N -1 0 338.398 3.866 20 0 EHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1Nc1ccc(F)cc1OCC(F)F ZINC001594185349 998718695 /nfs/dbraw/zinc/71/86/95/998718695.db2.gz OTGIZDHNXFTBET-FOGDFJRCSA-N -1 0 331.334 3.771 20 0 EHADRM C[C@@H]1CC(=O)N(C)c2ccc(N[C@H](C(=O)[O-])c3ccccc3F)cc21 ZINC001594198166 998766842 /nfs/dbraw/zinc/76/68/42/998766842.db2.gz BKCAXXMKGWNUNP-ZMZPIMSZSA-N -1 0 342.370 3.534 20 0 EHADRM C[C@H]1CC(=O)N(C)c2ccc(Nc3ncc(C(=O)[O-])cc3Cl)cc21 ZINC001594198956 998770199 /nfs/dbraw/zinc/77/01/99/998770199.db2.gz SUXXRWKRLDSLMG-VIFPVBQESA-N -1 0 345.786 3.647 20 0 EHADRM CC1CC(C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)(c2cccc(Cl)c2)C1 ZINC001594201242 998777968 /nfs/dbraw/zinc/77/79/68/998777968.db2.gz DOGJBKUNUQIKAB-IXVUQVCVSA-N -1 0 349.858 3.577 20 0 EHADRM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1C(=O)c1cccc(Cl)c1Cl ZINC001594206170 998793504 /nfs/dbraw/zinc/79/35/04/998793504.db2.gz PSOQWUMAZNRXOM-IUCAKERBSA-N -1 0 330.211 3.707 20 0 EHADRM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1C(=O)CC1CC(c2ccccc2)C1 ZINC001594207070 998796860 /nfs/dbraw/zinc/79/68/60/998796860.db2.gz WFXQHSZGBRJSSR-JPQBHMHHSA-N -1 0 329.440 3.671 20 0 EHADRM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1C(=O)c1sccc1SC(F)F ZINC001594207320 998798119 /nfs/dbraw/zinc/79/81/19/998798119.db2.gz AAEGIWXBMNFMMN-HTQZYQBOSA-N -1 0 349.424 3.777 20 0 EHADRM COC(=O)c1ccccc1CS[C@H](C(=O)[O-])c1ccccc1F ZINC001599001969 998827116 /nfs/dbraw/zinc/82/71/16/998827116.db2.gz AQEAWYQWPXWUIS-HNNXBMFYSA-N -1 0 334.368 3.671 20 0 EHADRM C[C@@H](NC(=O)[C@H]1C[C@H](C)C[C@H](C)C1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001594219051 998840906 /nfs/dbraw/zinc/84/09/06/998840906.db2.gz BQZVVZGRPPHMCS-DZXRDFMUSA-N -1 0 331.456 3.507 20 0 EHADRM C[C@@H]1C[C@H](C)N(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)C1 ZINC001594230731 998877292 /nfs/dbraw/zinc/87/72/92/998877292.db2.gz OXXMFYNJNIUBTR-KGLIPLIRSA-N -1 0 345.443 3.637 20 0 EHADRM C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@](C)(C(=O)[O-])C2)CC(C)(C)C1 ZINC001594232483 998885541 /nfs/dbraw/zinc/88/55/41/998885541.db2.gz KXRDFSHUZLIOTO-CLCXKQKWSA-N -1 0 338.492 3.735 20 0 EHADRM C[C@@H]1C[C@@H](CC(=O)N[C@](C)(CC(=O)[O-])c2cccnc2)CC(C)(C)C1 ZINC001594232786 998887933 /nfs/dbraw/zinc/88/79/33/998887933.db2.gz RNPTZYHPNXFKPJ-QEEYODRMSA-N -1 0 346.471 3.740 20 0 EHADRM C[C@@H]1C[C@H](CC(=O)N[C@](C)(CC(=O)[O-])c2cccnc2)CC(C)(C)C1 ZINC001594232788 998887985 /nfs/dbraw/zinc/88/79/85/998887985.db2.gz RNPTZYHPNXFKPJ-STXHMFSFSA-N -1 0 346.471 3.740 20 0 EHADRM C[C@@H]1C[C@@H](CNc2cccc(C(=O)[O-])c2)CCN1C(=O)OC(C)(C)C ZINC001594242988 998923594 /nfs/dbraw/zinc/92/35/94/998923594.db2.gz JRQUWSDJVZHAKT-KGLIPLIRSA-N -1 0 348.443 3.832 20 0 EHADRM C[C@H]1CC(NC(=O)Nc2cccc3cc(C(=O)[O-])sc32)C[C@H](C)O1 ZINC001594257577 998991540 /nfs/dbraw/zinc/99/15/40/998991540.db2.gz IFSAJHCKRHFKJW-UWVGGRQHSA-N -1 0 348.424 3.677 20 0 EHADRM CO[C@@](C)(C(=O)Nc1cccc(C(=O)[O-])c1Cl)c1ccccc1 ZINC001599029624 999040903 /nfs/dbraw/zinc/04/09/03/999040903.db2.gz JSWNTZIYBLPVMP-QGZVFWFLSA-N -1 0 333.771 3.539 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)N(C(=O)CCc2ccccc2C(=O)[O-])C1 ZINC001594270474 999044885 /nfs/dbraw/zinc/04/48/85/999044885.db2.gz VAUQNUBNRNPOCQ-HNAYVOBHSA-N -1 0 337.419 3.927 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ccc(C(=O)[O-])cn2)C1 ZINC001594270691 999046951 /nfs/dbraw/zinc/04/69/51/999046951.db2.gz YVCPHBVTNQCMMG-XHDPSFHLSA-N -1 0 343.358 3.534 20 0 EHADRM COC(C)(C)c1nc(C)c(C(=O)Nc2cc(C(=O)[O-])ccc2C)s1 ZINC001599035850 999082530 /nfs/dbraw/zinc/08/25/30/999082530.db2.gz RITINZSPCFAJQC-UHFFFAOYSA-N -1 0 348.424 3.592 20 0 EHADRM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC001594283507 999097883 /nfs/dbraw/zinc/09/78/83/999097883.db2.gz GKPURQWDLBMRBR-SLGFYFCGSA-N -1 0 337.419 3.764 20 0 EHADRM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC001594286505 999108987 /nfs/dbraw/zinc/10/89/87/999108987.db2.gz ROLXUQBRFNENAA-VMUDFCTBSA-N -1 0 331.412 3.551 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001594291920 999125783 /nfs/dbraw/zinc/12/57/83/999125783.db2.gz IDMWBFKKRBKQQQ-GPCCPHFNSA-N -1 0 338.354 3.848 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)C[C@H]1C ZINC001594295493 999137247 /nfs/dbraw/zinc/13/72/47/999137247.db2.gz IHHJAWKCROOCPJ-KFWWJZLASA-N -1 0 333.428 3.941 20 0 EHADRM C[C@@H](NC(=O)C1(C)CCC(C)CC1)c1ccc(OCC(=O)[O-])cc1 ZINC001594295630 999138062 /nfs/dbraw/zinc/13/80/62/999138062.db2.gz FNCSDGNMRHHESW-SHYRYGCCSA-N -1 0 333.428 3.544 20 0 EHADRM CC1CCC(C)(CNC(=O)Nc2cc(C(=O)[O-])cnc2Cl)CC1 ZINC001594296263 999141111 /nfs/dbraw/zinc/14/11/11/999141111.db2.gz PKWWJELFNPSLRL-UHFFFAOYSA-N -1 0 339.823 3.771 20 0 EHADRM C[C@H]1CCC(C)(C)N1C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC001594296396 999142043 /nfs/dbraw/zinc/14/20/43/999142043.db2.gz QQSXSQJHXPOKTE-JTQLQIEISA-N -1 0 340.807 3.598 20 0 EHADRM C[C@@H](C(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)c2ccccc21)c1ccccc1 ZINC001594314434 999216703 /nfs/dbraw/zinc/21/67/03/999216703.db2.gz PPSCZFRJIIIATF-ZSDSOXJFSA-N -1 0 337.419 3.784 20 0 EHADRM C[C@@H]1CC[C@](NC(=O)[C@@H]2CCC[C@H](F)C2)(C(=O)[O-])c2ccccc21 ZINC001594314783 999218427 /nfs/dbraw/zinc/21/84/27/999218427.db2.gz SKEBEYHJQQHQFB-VYGYDYRJSA-N -1 0 333.403 3.508 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)c2cccc(Cl)c2)(C(=O)[O-])c2ccccc21 ZINC001594322440 999242580 /nfs/dbraw/zinc/24/25/80/999242580.db2.gz LYZQQBARFDRTRX-BUXKBTBVSA-N -1 0 343.810 3.947 20 0 EHADRM CO[C@H](CSc1cc2ccccc2cc1C(=O)[O-])[C@@H]1CCOC1 ZINC001599059246 999253254 /nfs/dbraw/zinc/25/32/54/999253254.db2.gz OPPPFDRTLUOWJU-GDBMZVCRSA-N -1 0 332.421 3.682 20 0 EHADRM CO[C@H](Cn1nc(C)c(CCC(=O)[O-])c1C)c1ccc(Cl)cc1 ZINC001599060005 999258429 /nfs/dbraw/zinc/25/84/29/999258429.db2.gz OQEIQNAVKLVXKD-MRXNPFEDSA-N -1 0 336.819 3.558 20 0 EHADRM C[C@H]1CC[C@@H](Nc2cc(I)cc(C(=O)[O-])c2)C1 ZINC001594327497 999258627 /nfs/dbraw/zinc/25/86/27/999258627.db2.gz YOJLYAVSXXJLKR-GZMMTYOYSA-N -1 0 345.180 3.590 20 0 EHADRM CO[C@@H](c1ccccc1F)[C@H](C)Nc1nc(Cl)c(C(=O)[O-])s1 ZINC001599063050 999279589 /nfs/dbraw/zinc/27/95/89/999279589.db2.gz GRRRFXFFCYDWGC-OIBJUYFYSA-N -1 0 344.795 3.822 20 0 EHADRM C[C@@H]1CCC[C@H](NC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC001594348741 999322770 /nfs/dbraw/zinc/32/27/70/999322770.db2.gz BDRMCQSZYKCHRX-KBMXLJTQSA-N -1 0 332.444 3.716 20 0 EHADRM C[C@H]1CCC[C@H](NC(=O)NCCc2cc3ccc(C(=O)[O-])cc3o2)C1 ZINC001594352281 999333409 /nfs/dbraw/zinc/33/34/09/999333409.db2.gz CGLHNAJKLLDBSK-WFASDCNBSA-N -1 0 344.411 3.551 20 0 EHADRM C[C@@H]1CCC[C@@H]1CC(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC001594358080 999354523 /nfs/dbraw/zinc/35/45/23/999354523.db2.gz UIQOXPCMMKYUGG-CHWSQXEVSA-N -1 0 339.382 3.594 20 0 EHADRM C[C@H]1CCCC[C@H]1CCNC(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001594363718 999373228 /nfs/dbraw/zinc/37/32/28/999373228.db2.gz KESZLIAMPLWWBQ-GJZGRUSLSA-N -1 0 344.455 3.669 20 0 EHADRM C[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001594363797 999373761 /nfs/dbraw/zinc/37/37/61/999373761.db2.gz LRTJOJRAMOLRHL-NWGLXNPWSA-N -1 0 343.467 3.892 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CCC[C@H](C)CC1 ZINC001594378950 999428730 /nfs/dbraw/zinc/42/87/30/999428730.db2.gz RPXZDHQYDCGIFC-ZDUSSCGKSA-N -1 0 334.416 3.826 20 0 EHADRM C[C@@H]1CCN(C(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c2ccccc21 ZINC001594395350 999489316 /nfs/dbraw/zinc/48/93/16/999489316.db2.gz OXHZIZAHPUDYIR-SOIKWTOOSA-N -1 0 335.403 3.785 20 0 EHADRM C[C@@H]1CCN(C(=O)CCCc2csc3ccccc23)[C@@H](C(=O)[O-])C1 ZINC001594395846 999491341 /nfs/dbraw/zinc/49/13/41/999491341.db2.gz GRQXOHXNBGIOGZ-CZUORRHYSA-N -1 0 345.464 3.936 20 0 EHADRM C[C@@H]1CCN(C(=O)NCC2(CC(=O)[O-])CCCC2)[C@H](c2ccco2)C1 ZINC001594402269 999506726 /nfs/dbraw/zinc/50/67/26/999506726.db2.gz UUFDDBMWJSHCCY-CABCVRRESA-N -1 0 348.443 3.797 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])CCS1 ZINC001594406429 999522298 /nfs/dbraw/zinc/52/22/98/999522298.db2.gz XTYCAULVJJWYRT-VIFPVBQESA-N -1 0 340.470 3.683 20 0 EHADRM C[C@H](C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1cncnc1 ZINC000683380434 1016506519 /nfs/dbraw/zinc/50/65/19/1016506519.db2.gz JVZQJGQCSUIVHQ-LURJTMIESA-N -1 0 346.601 3.885 20 0 EHADRM C[C@H](C(=O)Nc1cc(Br)cc(Cl)c1[O-])[C@@H]1CCCO1 ZINC000907165725 1039937806 /nfs/dbraw/zinc/93/78/06/1039937806.db2.gz YVGJNIOJQFZFOX-CPCISQLKSA-N -1 0 348.624 3.562 20 0 EHADRM CC(C)(C)[C@@H]1CCc2sc(C(=O)NCCCCC(=O)[O-])cc2C1 ZINC000236670867 1016698880 /nfs/dbraw/zinc/69/88/80/1016698880.db2.gz RNYWTBNCCHTQTN-CYBMUJFWSA-N -1 0 337.485 3.884 20 0 EHADRM Cc1nc2ccc([N-]S(=O)(=O)c3cc(C)ccc3F)cc2s1 ZINC000340262474 1016813641 /nfs/dbraw/zinc/81/36/41/1016813641.db2.gz ZHFVBTRJTRFWCU-UHFFFAOYSA-N -1 0 336.413 3.853 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)c1F ZINC000180484229 1016900087 /nfs/dbraw/zinc/90/00/87/1016900087.db2.gz ZARMZPCLYPBSMX-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM C[C@H](NC(=O)c1occc1-c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655585625 1017022131 /nfs/dbraw/zinc/02/21/31/1017022131.db2.gz AHHXIGHWPFWFBF-VBNZEHGJSA-N -1 0 341.407 3.812 20 0 EHADRM Cc1ccnn1-c1ccccc1NC(=O)c1ccc([O-])c(Cl)c1 ZINC000182207968 1017059139 /nfs/dbraw/zinc/05/91/39/1017059139.db2.gz ULYSKSMFENIOTB-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000183601237 1032209520 /nfs/dbraw/zinc/20/95/20/1032209520.db2.gz RSRWNBHNPWGICU-FTLABTOESA-N -1 0 347.361 3.661 20 0 EHADRM O=C([O-])c1coc(C(=O)NC(c2cccs2)c2cccs2)c1 ZINC000183796556 1032207469 /nfs/dbraw/zinc/20/74/69/1032207469.db2.gz SHIHQSWKOQLCSE-UHFFFAOYSA-N -1 0 333.390 3.620 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)CCc1ccnc2ccccc12)C(=O)[O-] ZINC000449141994 1032245875 /nfs/dbraw/zinc/24/58/75/1032245875.db2.gz FRGIRAJVFQRUMJ-KRWDZBQOSA-N -1 0 342.439 3.563 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1cc(Br)cnc1F ZINC001211616786 1032286481 /nfs/dbraw/zinc/28/64/81/1032286481.db2.gz XKTJWUOXCQZKNQ-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM CCn1nc(C)c(/C=C\c2nc3ccc(C(=O)[O-])cc3s2)c1C ZINC000431547443 1032289238 /nfs/dbraw/zinc/28/92/38/1032289238.db2.gz ATHSFBSOUFNUKM-VURMDHGXSA-N -1 0 327.409 3.998 20 0 EHADRM O=C([O-])C1(c2nc(-c3ccc(F)c(Cl)c3)cs2)CCOCC1 ZINC000905002890 1032315830 /nfs/dbraw/zinc/31/58/30/1032315830.db2.gz UAAYXFZSUQRYPY-UHFFFAOYSA-N -1 0 341.791 3.735 20 0 EHADRM CC[C@@H](C)C(=O)Cc1nc(=O)c2snc(-c3ccc(F)cc3)c2[n-]1 ZINC000905032177 1032320216 /nfs/dbraw/zinc/32/02/16/1032320216.db2.gz ZJYWPEUEZDILFT-SECBINFHSA-N -1 0 345.399 3.756 20 0 EHADRM CC[C@H](CNC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000584387406 1032327882 /nfs/dbraw/zinc/32/78/82/1032327882.db2.gz DBVZLBKYTNRRDW-QAPCUYQASA-N -1 0 340.423 3.648 20 0 EHADRM C[C@@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1c(F)cccc1Cl ZINC000905114215 1032349521 /nfs/dbraw/zinc/34/95/21/1032349521.db2.gz HJRSNXRLCZIGCN-MXWKQRLJSA-N -1 0 327.783 3.547 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000905124758 1032352813 /nfs/dbraw/zinc/35/28/13/1032352813.db2.gz HJXNOMYHJDREPQ-SPOLIRPYSA-N -1 0 341.451 3.672 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)C1 ZINC000905124026 1032353428 /nfs/dbraw/zinc/35/34/28/1032353428.db2.gz MWCSMLQBBMJAHL-HLLBOEOZSA-N -1 0 333.403 3.770 20 0 EHADRM Cc1csc(Nc2cccc(NC(=O)C[C@H](C)CC(=O)[O-])c2)n1 ZINC000905130162 1032357547 /nfs/dbraw/zinc/35/75/47/1032357547.db2.gz BDRCZETVWRYZSP-JTQLQIEISA-N -1 0 333.413 3.635 20 0 EHADRM CC(C)(C)OCc1ccccc1NC(=O)C1=C(C(=O)[O-])CCCC1 ZINC000905130843 1032358361 /nfs/dbraw/zinc/35/83/61/1032358361.db2.gz KFMXDNNNFQBMBB-UHFFFAOYSA-N -1 0 331.412 3.895 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])NC(=O)CC2CCCCCC2)c1 ZINC000538471996 1032395628 /nfs/dbraw/zinc/39/56/28/1032395628.db2.gz JXFZIWMXVQVJCQ-QGZVFWFLSA-N -1 0 333.428 3.688 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccccc2)nn1-c1ccccc1Cl ZINC000538497152 1032400201 /nfs/dbraw/zinc/40/02/01/1032400201.db2.gz CQRCPGMPKFUCFF-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM CCC[C@@H]1CCc2nc([N-]S(=O)(=O)c3ccc(C)o3)sc2C1 ZINC000536897406 1032407256 /nfs/dbraw/zinc/40/72/56/1032407256.db2.gz QGECUQOUWCGMLC-LLVKDONJSA-N -1 0 340.470 3.750 20 0 EHADRM CCC[C@H]1CCc2nc([N-]S(=O)(=O)c3ccc(C)o3)sc2C1 ZINC000536897414 1032407295 /nfs/dbraw/zinc/40/72/95/1032407295.db2.gz QGECUQOUWCGMLC-NSHDSACASA-N -1 0 340.470 3.750 20 0 EHADRM C[C@H]1CC[C@H](c2ccccc2)N(C(=O)NCCCCCC(=O)[O-])C1 ZINC000414629473 1017081852 /nfs/dbraw/zinc/08/18/52/1017081852.db2.gz RIKKASRNWXUVCW-DOTOQJQBSA-N -1 0 332.444 3.814 20 0 EHADRM CCOc1ccc([C@H]2CCCN2C(=O)NCCCCCC(=O)[O-])cc1 ZINC000414629764 1017088935 /nfs/dbraw/zinc/08/89/35/1017088935.db2.gz RZEWPSSYVRFRTA-QGZVFWFLSA-N -1 0 348.443 3.577 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000584412192 1032469237 /nfs/dbraw/zinc/46/92/37/1032469237.db2.gz WYYHJWLQYJCEIF-RHSMWYFYSA-N -1 0 348.443 3.686 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1cc(C(C)(C)C)sc1C(N)=O ZINC001211618925 1032475699 /nfs/dbraw/zinc/47/56/99/1032475699.db2.gz YBLXDOAJUHQCPI-UHFFFAOYSA-N -1 0 332.425 3.895 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2cc3ccccc3o2)cc1C ZINC000537194808 1032553982 /nfs/dbraw/zinc/55/39/82/1032553982.db2.gz JUNWIFNSIZLSIT-NSHDSACASA-N -1 0 333.413 3.710 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cc(Cl)ccc2C)cc1C ZINC000537197000 1032554454 /nfs/dbraw/zinc/55/44/54/1032554454.db2.gz FEQORVYLORQPBH-LLVKDONJSA-N -1 0 341.864 3.925 20 0 EHADRM CCc1ccc(C2CCN(C(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])CC2)cc1 ZINC000602013904 1032580380 /nfs/dbraw/zinc/58/03/80/1032580380.db2.gz ZLTCMPLPVMNXEQ-KGLIPLIRSA-N -1 0 349.496 3.550 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1)C(=O)[O-] ZINC000601997600 1032587206 /nfs/dbraw/zinc/58/72/06/1032587206.db2.gz SLVBZQGWUQZNGC-MJVIPROJSA-N -1 0 341.860 3.598 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)N1CCC[C@@H]1CCCc1ccccc1 ZINC000601999124 1032587225 /nfs/dbraw/zinc/58/72/25/1032587225.db2.gz BXNXZTNANITHER-VYDXJSESSA-N -1 0 349.496 3.595 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc3oc(C(C)C)nc3c2)c(C)o1 ZINC000537349637 1032648262 /nfs/dbraw/zinc/64/82/62/1032648262.db2.gz PQGHPXFMRSHQIK-UHFFFAOYSA-N -1 0 334.397 3.962 20 0 EHADRM CC(C)NC(=O)Nc1ccccc1NC(=O)c1ccc([O-])c(Cl)c1 ZINC000183417347 1017323289 /nfs/dbraw/zinc/32/32/89/1017323289.db2.gz ZZSCJVWGIOREQU-UHFFFAOYSA-N -1 0 347.802 3.828 20 0 EHADRM Cc1ccc([C@@H]([N-]S(=O)(=O)c2sccc2C)C(F)(F)F)o1 ZINC000655660132 1017347590 /nfs/dbraw/zinc/34/75/90/1017347590.db2.gz MFLFQKUPNHXWPX-SNVBAGLBSA-N -1 0 339.360 3.540 20 0 EHADRM CCc1nc([N-]S(=O)(=O)c2cccc3c(C)ccnc32)sc1C ZINC000547954161 1017591405 /nfs/dbraw/zinc/59/14/05/1017591405.db2.gz SSQDLLCELWHNJK-UHFFFAOYSA-N -1 0 347.465 3.671 20 0 EHADRM CC(C)Oc1c(NCc2nc3c(s2)CCC3)cccc1C(=O)[O-] ZINC000669474203 1032715457 /nfs/dbraw/zinc/71/54/57/1032715457.db2.gz GTKWBZMKDOLMTA-UHFFFAOYSA-N -1 0 332.425 3.729 20 0 EHADRM Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ncc(Br)cc1O)CC2 ZINC000892921576 1017720621 /nfs/dbraw/zinc/72/06/21/1017720621.db2.gz WLYJTWGVTDZFCJ-AWEZNQCLSA-N -1 0 333.229 3.635 20 0 EHADRM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)n[nH]1 ZINC000533689305 1017796867 /nfs/dbraw/zinc/79/68/67/1017796867.db2.gz FVDNZSODILJAOS-UHFFFAOYSA-N -1 0 345.827 3.592 20 0 EHADRM CC(C)[C@@H](CNC(=O)N[C@@H](C)c1cccc2ccccc21)C(=O)[O-] ZINC000655859403 1017804001 /nfs/dbraw/zinc/80/40/01/1017804001.db2.gz KDDZDEPHEIKILD-SUMWQHHRSA-N -1 0 328.412 3.557 20 0 EHADRM Cc1cc(C)cc(CN(C)C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000655904831 1017894736 /nfs/dbraw/zinc/89/47/36/1017894736.db2.gz YLPAYICIWMZVQX-HYVNUMGLSA-N -1 0 346.471 3.580 20 0 EHADRM CCSc1cccc(F)c1[N-]C(=O)c1oc(C(=O)OC)cc1C ZINC000891042388 1017914626 /nfs/dbraw/zinc/91/46/26/1017914626.db2.gz KCRXTTVGMPWCEW-UHFFFAOYSA-N -1 0 337.372 3.878 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1ccc2cnccc2n1 ZINC001137572603 1017939461 /nfs/dbraw/zinc/93/94/61/1017939461.db2.gz AOQQYYWKUNVIKM-UHFFFAOYSA-N -1 0 334.162 3.895 20 0 EHADRM Cc1ccccc1[C@@H](CC(C)C)NC(=O)C[C@@]1(C(=O)[O-])CCSC1 ZINC000602270846 1032742394 /nfs/dbraw/zinc/74/23/94/1032742394.db2.gz HRKIVAAWGCBANZ-APWZRJJASA-N -1 0 349.496 3.796 20 0 EHADRM O=S(=O)([N-]c1cc(-c2ccc(Cl)s2)[nH]n1)c1ccccc1 ZINC000340513052 1018192290 /nfs/dbraw/zinc/19/22/90/1018192290.db2.gz XWAYZDAPHZBEMP-UHFFFAOYSA-N -1 0 339.829 3.592 20 0 EHADRM C=Cc1ccc(C(=O)N=c2nc(-c3cccc(OC)c3)[n-]s2)cc1 ZINC000460287463 1032748940 /nfs/dbraw/zinc/74/89/40/1032748940.db2.gz YRFSUCQFDZLQFU-UHFFFAOYSA-N -1 0 337.404 3.531 20 0 EHADRM Cc1ccc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)cc1OC(C)C ZINC000683728695 1018224240 /nfs/dbraw/zinc/22/42/40/1018224240.db2.gz ICPFVZJXCXGUFQ-KRWDZBQOSA-N -1 0 341.407 3.979 20 0 EHADRM C[C@H]1c2ccc(F)cc2CCN1C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000606571550 1032754671 /nfs/dbraw/zinc/75/46/71/1032754671.db2.gz DUFNRKCDJWRQLU-JTQLQIEISA-N -1 0 348.447 3.548 20 0 EHADRM O=C(c1[n-]cnc1-c1nc([C@@H]2CCC[C@H]3C[C@H]32)no1)c1ccccc1 ZINC000656046665 1018352419 /nfs/dbraw/zinc/35/24/19/1018352419.db2.gz ATGGLWJOLJFKAZ-BFHYXJOUSA-N -1 0 334.379 3.594 20 0 EHADRM CCCCN([C@H](C)CC)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000013251019 1018444607 /nfs/dbraw/zinc/44/46/07/1018444607.db2.gz QPSFPQKCZBHJQL-LLVKDONJSA-N -1 0 347.864 3.628 20 0 EHADRM CCCCN([C@@H](C)CC)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000013251017 1018445543 /nfs/dbraw/zinc/44/55/43/1018445543.db2.gz QPSFPQKCZBHJQL-NSHDSACASA-N -1 0 347.864 3.628 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC000580049169 1018547766 /nfs/dbraw/zinc/54/77/66/1018547766.db2.gz YWQPBUOXIOGGMP-JQHSSLGASA-N -1 0 344.455 3.609 20 0 EHADRM COc1ccc2nc(/C=C\c3scnc3C)cc(C(=O)[O-])c2c1 ZINC000463030825 1018594064 /nfs/dbraw/zinc/59/40/64/1018594064.db2.gz AUABKEBFUGZLRL-UTCJRWHESA-N -1 0 326.377 3.877 20 0 EHADRM Cc1cccc(-c2noc(-c3nc[n-]c3C(=O)c3ccccc3)n2)c1 ZINC000580123871 1018677769 /nfs/dbraw/zinc/67/77/69/1018677769.db2.gz IHTRBEPBBYIZME-UHFFFAOYSA-N -1 0 330.347 3.666 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000580201426 1018776742 /nfs/dbraw/zinc/77/67/42/1018776742.db2.gz MQNCCLGRIVQXIZ-WZOJCFFYSA-N -1 0 343.467 3.795 20 0 EHADRM C[C@H](Oc1cccc(C(=O)/C=C/c2ccc(F)cc2F)c1)C(=O)[O-] ZINC000062692764 1032786781 /nfs/dbraw/zinc/78/67/81/1032786781.db2.gz OLQVUXHRKJWRDX-IOCXFXADSA-N -1 0 332.302 3.713 20 0 EHADRM C[C@H](Oc1cccc(C(=O)/C=C/c2cc(F)ccc2F)c1)C(=O)[O-] ZINC000062692665 1032786923 /nfs/dbraw/zinc/78/69/23/1032786923.db2.gz SYGRZJOTUKNHMF-BWNDKRECSA-N -1 0 332.302 3.713 20 0 EHADRM CCOc1cccc(/C=C/C(=O)c2cccc(O[C@@H](C)C(=O)[O-])c2)c1 ZINC000062692619 1032787535 /nfs/dbraw/zinc/78/75/35/1032787535.db2.gz HQCQGGACPMDPNJ-VNDWYCCKSA-N -1 0 340.375 3.833 20 0 EHADRM O=S(=O)([N-]c1cccc2ccncc21)c1c[nH]c2cccc(F)c21 ZINC000571374959 1018848881 /nfs/dbraw/zinc/84/88/81/1018848881.db2.gz DMQIZRIUFOLIAT-UHFFFAOYSA-N -1 0 341.367 3.656 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)NC[C@]1(Cc2ccccc2)C=CCCC1 ZINC000630314559 1018876658 /nfs/dbraw/zinc/87/66/58/1018876658.db2.gz UCDQEXJIOQGRJZ-OXJNMPFZSA-N -1 0 329.440 3.573 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)NC1CCC(c2ccccc2)CC1)C1CCC1 ZINC000580270429 1018898090 /nfs/dbraw/zinc/89/80/90/1018898090.db2.gz IDPSWYJGAHGLEU-OOHWJJMZSA-N -1 0 344.455 3.750 20 0 EHADRM O=C(CCc1ccc2ccccc2c1)Nc1n[nH]c(-c2ccco2)n1 ZINC000614393301 1018947984 /nfs/dbraw/zinc/94/79/84/1018947984.db2.gz MSPDFLLAHDVSRM-UHFFFAOYSA-N -1 0 332.363 3.789 20 0 EHADRM Nc1ccc(COCCO)c(Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC001210929267 1019077707 /nfs/dbraw/zinc/07/77/07/1019077707.db2.gz WAUJKWNYIAKBIT-UHFFFAOYSA-N -1 0 343.210 3.534 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3c([O-])cc(F)cc3F)C2)cc1 ZINC000683890921 1019110041 /nfs/dbraw/zinc/11/00/41/1019110041.db2.gz RENGDKCGJQQLFU-GXTWGEPZSA-N -1 0 331.362 3.997 20 0 EHADRM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)C1 ZINC000728981903 1019143792 /nfs/dbraw/zinc/14/37/92/1019143792.db2.gz KWODHWBGQJKDKV-DGCLKSJQSA-N -1 0 345.468 3.569 20 0 EHADRM O=C([O-])c1ccccc1Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC001210967746 1019148056 /nfs/dbraw/zinc/14/80/56/1019148056.db2.gz VRNCHJOHYSZOGB-CYBMUJFWSA-N -1 0 331.343 3.825 20 0 EHADRM Cc1ccc(NCc2nc3cc(Cl)ccc3n2C)cc1C(=O)[O-] ZINC000340675080 1019154604 /nfs/dbraw/zinc/15/46/04/1019154604.db2.gz ZMUHXAXRZPLDEW-UHFFFAOYSA-N -1 0 329.787 3.845 20 0 EHADRM CC[C@@H](CC(=O)[N-]S(=O)(=O)c1cc(C)ccc1C)c1ccccc1 ZINC000729066458 1019171820 /nfs/dbraw/zinc/17/18/20/1019171820.db2.gz RSKBIPHXCBSOBO-INIZCTEOSA-N -1 0 345.464 3.692 20 0 EHADRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)Nc1ccc(F)cc1 ZINC000683921126 1019242220 /nfs/dbraw/zinc/24/22/20/1019242220.db2.gz GMYKUPZWXSRWCH-XJKSGUPXSA-N -1 0 334.391 3.713 20 0 EHADRM COc1ccc(C(=O)CSc2ccc(C)c(C)c2)c2occ([O-])c21 ZINC000580440680 1019366096 /nfs/dbraw/zinc/36/60/96/1019366096.db2.gz MQSNDIWODOTZOR-UHFFFAOYSA-N -1 0 342.416 3.862 20 0 EHADRM COc1cc(C(=O)[O-])cc(NCc2cccc3cccnc32)c1OC ZINC000340696119 1019414588 /nfs/dbraw/zinc/41/45/88/1019414588.db2.gz HMEUJUQXGWFART-UHFFFAOYSA-N -1 0 338.363 3.562 20 0 EHADRM CC(C)[C@H](NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000262034081 1019519205 /nfs/dbraw/zinc/51/92/05/1019519205.db2.gz HAYPEBCEURZRSG-RDBSUJKOSA-N -1 0 343.345 3.630 20 0 EHADRM C[C@]1(NC(=O)c2ccc(C(F)F)cc2F)CCCC[C@@H]1C(=O)[O-] ZINC000656238714 1019522708 /nfs/dbraw/zinc/52/27/08/1019522708.db2.gz RXJPDBUTMIQCBH-BZNIZROVSA-N -1 0 329.318 3.527 20 0 EHADRM Cc1cn([C@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1ccccc1 ZINC000471589166 1019568428 /nfs/dbraw/zinc/56/84/28/1019568428.db2.gz ZXACLURMTGXRCF-OAHLLOKOSA-N -1 0 341.436 3.602 20 0 EHADRM CCCOc1ccc(NC(=O)Cc2cccc(C(=O)[O-])c2)c(C)c1 ZINC000262268384 1019576985 /nfs/dbraw/zinc/57/69/85/1019576985.db2.gz XSFMEIRIUGDZAE-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM C[C@H]1CC[C@H](C(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)CC1 ZINC000580573844 1019660490 /nfs/dbraw/zinc/66/04/90/1019660490.db2.gz OHEHMQGSXCVIBK-JCNLHEQBSA-N -1 0 343.467 3.992 20 0 EHADRM CCC[C@H](CNC(=O)CCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000656253285 1019680363 /nfs/dbraw/zinc/68/03/63/1019680363.db2.gz WLWSVTHODJAZDX-SNVBAGLBSA-N -1 0 332.227 3.543 20 0 EHADRM CC(C)(CC(F)(F)F)C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000622784337 1019710996 /nfs/dbraw/zinc/71/09/96/1019710996.db2.gz BCOPPUIMWXXPSV-UHFFFAOYSA-N -1 0 329.347 3.544 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2c(Cl)cccc2Cl)n[nH]c1C1CC1 ZINC000760322914 1032853500 /nfs/dbraw/zinc/85/35/00/1032853500.db2.gz ZOFCINHQMHLEAP-UHFFFAOYSA-N -1 0 346.239 3.703 20 0 EHADRM Cc1sc(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1-c1ccc(F)cc1 ZINC000263038639 1019798368 /nfs/dbraw/zinc/79/83/68/1019798368.db2.gz SOSZGQVSPFYRQK-MEBBXXQBSA-N -1 0 347.411 3.655 20 0 EHADRM CC(C)[C@H](CNC(=O)C1CCC(C(=O)[O-])CC1)Cc1ccccc1 ZINC000263144165 1019828485 /nfs/dbraw/zinc/82/84/85/1019828485.db2.gz YOWKCQLADPBZCX-ABHNRTSZSA-N -1 0 331.456 3.509 20 0 EHADRM Cc1nc(C(=O)N(Cc2ccccc2)CC2CCC2)ccc1C(=O)[O-] ZINC000263299366 1019866854 /nfs/dbraw/zinc/86/68/54/1019866854.db2.gz CWMNKJRYUXZBJU-UHFFFAOYSA-N -1 0 338.407 3.531 20 0 EHADRM CC(=O)c1cccc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c1O ZINC000580775323 1020003315 /nfs/dbraw/zinc/00/33/15/1020003315.db2.gz CXVOFWLVDFFRIR-WDEREUQCSA-N -1 0 329.318 3.902 20 0 EHADRM c1ccc2cc([C@@H]3C[C@H]3N=c3[n-]c(C4CCOCC4)no3)ccc2c1 ZINC000580820673 1020064962 /nfs/dbraw/zinc/06/49/62/1020064962.db2.gz VJFUHMXYPCUDEK-ZWKOTPCHSA-N -1 0 335.407 3.507 20 0 EHADRM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1ncccc1[O-] ZINC000345236538 1020083022 /nfs/dbraw/zinc/08/30/22/1020083022.db2.gz GHLXOGPJWAULDC-AWEZNQCLSA-N -1 0 325.412 3.727 20 0 EHADRM CCOc1cc(Cl)ccc1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000345263287 1020119231 /nfs/dbraw/zinc/11/92/31/1020119231.db2.gz NUCSYTIVRVOVIT-UHFFFAOYSA-N -1 0 342.782 3.833 20 0 EHADRM O=C(Nc1scnc1C1CC1)c1ccc(Br)c([O-])c1 ZINC000345291226 1020129496 /nfs/dbraw/zinc/12/94/96/1020129496.db2.gz HNRHSKRSVAMUTM-UHFFFAOYSA-N -1 0 339.214 3.741 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1ncccc1C(F)(F)F ZINC000345606446 1020380961 /nfs/dbraw/zinc/38/09/61/1020380961.db2.gz KQSNPMMNROIQPH-UHFFFAOYSA-N -1 0 334.656 3.851 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cncn1-c1ccccc1 ZINC000345643359 1020412340 /nfs/dbraw/zinc/41/23/40/1020412340.db2.gz BQHIVXFDXLQTIH-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM COc1cc(C)ccc1OCC(=O)Nc1cc(Cl)c([O-])cc1F ZINC000345697301 1020439001 /nfs/dbraw/zinc/43/90/01/1020439001.db2.gz CQLBIILPUJXFRT-UHFFFAOYSA-N -1 0 339.750 3.519 20 0 EHADRM CCC(CC)(CC(=O)Nc1cc(F)ccc1OC(C)C)C(=O)[O-] ZINC000066965579 1020590433 /nfs/dbraw/zinc/59/04/33/1020590433.db2.gz HCPIDZUXPYJCRV-UHFFFAOYSA-N -1 0 325.380 3.833 20 0 EHADRM CSc1ccccc1C(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1 ZINC000345911530 1020606053 /nfs/dbraw/zinc/60/60/53/1020606053.db2.gz VNAUWPQUVFYGJV-UHFFFAOYSA-N -1 0 340.404 3.700 20 0 EHADRM CC[C@@H](NC(=O)N=c1[n-]nc(-c2ccsc2)s1)c1ccccc1 ZINC000621791107 1020626948 /nfs/dbraw/zinc/62/69/48/1020626948.db2.gz RBCXBUUPMOPICM-CYBMUJFWSA-N -1 0 344.465 3.961 20 0 EHADRM COc1cc(C)c(C)cc1NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000656485801 1020707324 /nfs/dbraw/zinc/70/73/24/1020707324.db2.gz HDLNVKNXCNBCKR-FQEVSTJZSA-N -1 0 341.407 3.683 20 0 EHADRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc2ccccc2c(Cl)n1 ZINC000326088664 1020852782 /nfs/dbraw/zinc/85/27/82/1020852782.db2.gz NFDWECFUJQFYFC-UHFFFAOYSA-N -1 0 343.726 3.754 20 0 EHADRM COCc1csc(C[NH2+][C@@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000656565810 1020924074 /nfs/dbraw/zinc/92/40/74/1020924074.db2.gz VBGOBAKAUWMQPD-HNNXBMFYSA-N -1 0 339.844 3.854 20 0 EHADRM COCc1csc(CNc2cccc(C(=O)[O-])c2OC(C)C)c1 ZINC000656566577 1020934141 /nfs/dbraw/zinc/93/41/41/1020934141.db2.gz PCPXXOFYLLGZPV-UHFFFAOYSA-N -1 0 335.425 3.992 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)NCc1ccc(-c2cccs2)cc1)C1CC1 ZINC000656591361 1020967351 /nfs/dbraw/zinc/96/73/51/1020967351.db2.gz YWTPVTAXRKBEHJ-LBPRGKRZSA-N -1 0 344.436 3.562 20 0 EHADRM COCCCC[C@H](NC(=O)c1c([O-])cc(F)cc1F)c1ccccc1 ZINC000684337700 1021155679 /nfs/dbraw/zinc/15/56/79/1021155679.db2.gz HZAIMIVAMBTLCR-INIZCTEOSA-N -1 0 349.377 3.958 20 0 EHADRM O=C([O-])c1ccc(F)c(-c2cc(F)ccc2OC[C@H]2CCOC2)c1 ZINC000581618533 1021157043 /nfs/dbraw/zinc/15/70/43/1021157043.db2.gz FTSLNTHNPLLICW-NSHDSACASA-N -1 0 334.318 3.745 20 0 EHADRM O=C(NCc1nc(-c2ccccc2)c[nH]1)c1cc(F)cc(Cl)c1[O-] ZINC000436780022 1021208289 /nfs/dbraw/zinc/20/82/89/1021208289.db2.gz MLNRYWFYRGTXRD-UHFFFAOYSA-N -1 0 345.761 3.505 20 0 EHADRM CCc1ccncc1[N-]S(=O)(=O)c1cccc(O[C@H](C)CC)c1 ZINC000656734185 1021227967 /nfs/dbraw/zinc/22/79/67/1021227967.db2.gz BQSUGMABIJWLCD-CYBMUJFWSA-N -1 0 334.441 3.622 20 0 EHADRM CCc1ccc(C)nc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000656738013 1021232568 /nfs/dbraw/zinc/23/25/68/1021232568.db2.gz PIHODCFKMWLBPQ-UHFFFAOYSA-N -1 0 334.441 3.540 20 0 EHADRM C[C@@]1(CNC(=O)c2c([O-])cc(Cl)cc2Cl)CCO[C@H]1C1CC1 ZINC000436818770 1021247139 /nfs/dbraw/zinc/24/71/39/1021247139.db2.gz WAWMWJGBEWBKOU-HOCLYGCPSA-N -1 0 344.238 3.634 20 0 EHADRM O=C(Nc1nccn1Cc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000436809383 1021256022 /nfs/dbraw/zinc/25/60/22/1021256022.db2.gz OFUZWEIJJSTSOQ-UHFFFAOYSA-N -1 0 327.771 3.543 20 0 EHADRM O=C(Nc1ncc(-c2ccccn2)s1)c1ccc(Cl)cc1[O-] ZINC000436836505 1021272081 /nfs/dbraw/zinc/27/20/81/1021272081.db2.gz CYZHFQQWKFWIQF-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N(Cc1cc[nH]n1)Cc1ccccc1 ZINC000436853479 1021279188 /nfs/dbraw/zinc/27/91/88/1021279188.db2.gz QMNSURNOSGCJHZ-UHFFFAOYSA-N -1 0 341.798 3.611 20 0 EHADRM CCC[C@H]1CCCN(C(=O)c2cc(F)cc(Br)c2[O-])C1 ZINC000436853936 1021280881 /nfs/dbraw/zinc/28/08/81/1021280881.db2.gz DOIOOOAKQHWMEA-JTQLQIEISA-N -1 0 344.224 3.946 20 0 EHADRM O=C([O-])C12CCC(C(=O)NCCCc3cccc(Cl)c3)(CC1)CC2 ZINC000909407432 1021285489 /nfs/dbraw/zinc/28/54/89/1021285489.db2.gz PKSRRCQRCFHIJS-UHFFFAOYSA-N -1 0 349.858 3.814 20 0 EHADRM O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)c1nn(-c2ccccc2)cc1[O-] ZINC000439264063 1021288843 /nfs/dbraw/zinc/28/88/43/1021288843.db2.gz UQXNAANNSLDPOW-QZTJIDSGSA-N -1 0 347.418 3.644 20 0 EHADRM COc1ccc(C)cc1[C@H](C)NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436865300 1021302332 /nfs/dbraw/zinc/30/23/32/1021302332.db2.gz RBNUTALDJGKNJL-JTQLQIEISA-N -1 0 337.778 3.993 20 0 EHADRM COc1cccc(OC)c1/C=C\c1nc2ccc(C(=O)[O-])cc2o1 ZINC000439273598 1021308072 /nfs/dbraw/zinc/30/80/72/1021308072.db2.gz IWJYMTAPYGBBMY-CLFYSBASSA-N -1 0 325.320 3.714 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CCC(=O)c2cc(C)ccc2C)c1 ZINC000436869735 1021310627 /nfs/dbraw/zinc/31/06/27/1021310627.db2.gz LAUSLSFOPZVZOD-UHFFFAOYSA-N -1 0 339.391 3.813 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000436872487 1021316340 /nfs/dbraw/zinc/31/63/40/1021316340.db2.gz PWBQMDPMPBTLNI-UHFFFAOYSA-N -1 0 339.269 3.746 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2csc(-c3ccccc3)n2)c1 ZINC000436875781 1021319016 /nfs/dbraw/zinc/31/90/16/1021319016.db2.gz YZQOKVJMDSBMPK-UHFFFAOYSA-N -1 0 338.388 3.971 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCO[C@@H](C2CCCCC2)C1 ZINC000436896450 1021361656 /nfs/dbraw/zinc/36/16/56/1021361656.db2.gz MSYRWLXRZFNCSL-OAHLLOKOSA-N -1 0 341.810 3.606 20 0 EHADRM O=C(NC[C@@H]1CCO[C@@H]1c1ccccc1)c1cc(F)c([O-])c(Cl)c1 ZINC000436914017 1021370383 /nfs/dbraw/zinc/37/03/83/1021370383.db2.gz XRVVYLSZXAOUFT-YVEFUNNKSA-N -1 0 349.789 3.692 20 0 EHADRM COc1cc(/C=C\c2nc3ccc(C(=O)[O-])cc3s2)ccc1O ZINC000436921535 1021379425 /nfs/dbraw/zinc/37/94/25/1021379425.db2.gz VTIWYDFKGCQGRE-CLTKARDFSA-N -1 0 327.361 3.879 20 0 EHADRM [O-]c1c(-c2nc(Cc3ccncn3)no2)cc(Cl)c2ccccc12 ZINC000436924218 1021383051 /nfs/dbraw/zinc/38/30/51/1021383051.db2.gz BSHBOXFTBCSARK-UHFFFAOYSA-N -1 0 338.754 3.630 20 0 EHADRM COC[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)c1cccc(Cl)c1 ZINC000436936993 1021399773 /nfs/dbraw/zinc/39/97/73/1021399773.db2.gz HAYWFKIPWOSFDM-CQSZACIVSA-N -1 0 340.206 3.817 20 0 EHADRM CCOc1ccc([C@@H]2CCCN2C(=O)c2c([O-])cccc2F)cc1 ZINC000436945182 1021405638 /nfs/dbraw/zinc/40/56/38/1021405638.db2.gz MGUCQTSCCMUPLT-INIZCTEOSA-N -1 0 329.371 3.907 20 0 EHADRM C[C@@H]1SCCN(C(=O)c2c([O-])cccc2F)[C@H]1c1ccccc1 ZINC000436948380 1021407663 /nfs/dbraw/zinc/40/76/63/1021407663.db2.gz OLSPYHKBBQOCGP-YVEFUNNKSA-N -1 0 331.412 3.850 20 0 EHADRM Cc1ccccc1-c1cc(=NC(=O)c2cc(F)c([O-])c(Cl)c2)[nH][nH]1 ZINC000436968642 1021422539 /nfs/dbraw/zinc/42/25/39/1021422539.db2.gz UWIOVQMOASCLTR-UHFFFAOYSA-N -1 0 345.761 3.557 20 0 EHADRM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cc(F)c([O-])c(F)c1)[C@H]2C ZINC000436970228 1021441564 /nfs/dbraw/zinc/44/15/64/1021441564.db2.gz LBLZNVWLZHVHMP-MNOVXSKESA-N -1 0 347.361 3.827 20 0 EHADRM [O-]c1cc(Cl)ccc1-c1nc(CCn2cnc3ccccc32)no1 ZINC000436996872 1021453895 /nfs/dbraw/zinc/45/38/95/1021453895.db2.gz HJNLMAZBCUWBCZ-UHFFFAOYSA-N -1 0 340.770 3.688 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)cn1 ZINC000506594737 1021504674 /nfs/dbraw/zinc/50/46/74/1021504674.db2.gz NGAMQFUDJDAAQI-UHFFFAOYSA-N -1 0 340.404 3.558 20 0 EHADRM COc1ccc(N(C)C(=O)CC2CCC(C(=O)[O-])CC2)cc1Cl ZINC000516572685 1021559322 /nfs/dbraw/zinc/55/93/22/1021559322.db2.gz QWBHVWFTQMLVPD-UHFFFAOYSA-N -1 0 339.819 3.593 20 0 EHADRM CC(C)Oc1ccc([N-]S(=O)(=O)c2cnc3ccsc3c2)cc1 ZINC000439566555 1021561045 /nfs/dbraw/zinc/56/10/45/1021561045.db2.gz UQWONNMFVKDXHX-UHFFFAOYSA-N -1 0 348.449 3.884 20 0 EHADRM Fc1cc(-c2ncco2)ccc1CSc1n[n-]c(=NC2CC2)s1 ZINC000519629912 1021584113 /nfs/dbraw/zinc/58/41/13/1021584113.db2.gz AIXIJCSOHQVFNO-UHFFFAOYSA-N -1 0 348.428 3.621 20 0 EHADRM CC1(C)CC[C@H](CNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c2ccccc21 ZINC000439714341 1021657209 /nfs/dbraw/zinc/65/72/09/1021657209.db2.gz BZQYCOBSPOTXIW-ARFHVFGLSA-N -1 0 343.467 3.849 20 0 EHADRM CCC(C)(C)c1ccc(CNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000439698342 1021659715 /nfs/dbraw/zinc/65/97/15/1021659715.db2.gz MKFFSKYFBBCKHU-JKSUJKDBSA-N -1 0 331.456 3.881 20 0 EHADRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2c[nH]nc2C2CC2)c1 ZINC000519833737 1021710357 /nfs/dbraw/zinc/71/03/57/1021710357.db2.gz GGCSNAHUODFWAB-UHFFFAOYSA-N -1 0 339.848 3.694 20 0 EHADRM COCCCCc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000519910077 1021761582 /nfs/dbraw/zinc/76/15/82/1021761582.db2.gz SGTYSAYPDOZZBZ-UHFFFAOYSA-N -1 0 332.400 3.760 20 0 EHADRM CC(C)Cn1nccc1[N-]S(=O)(=O)c1ccccc1C(C)(C)C ZINC000437404334 1021799539 /nfs/dbraw/zinc/79/95/39/1021799539.db2.gz AEONQJKKEXUCAP-UHFFFAOYSA-N -1 0 335.473 3.637 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000467082032 1021802556 /nfs/dbraw/zinc/80/25/56/1021802556.db2.gz RRESGRJAYXQPNI-UHFFFAOYSA-N -1 0 347.436 3.873 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cc(C)ccn2)c(Cl)c1Cl ZINC000437420153 1021813873 /nfs/dbraw/zinc/81/38/73/1021813873.db2.gz LHWYQMXXSTWZDT-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccccc2F)cc1-c1ncco1 ZINC000164686677 1021836704 /nfs/dbraw/zinc/83/67/04/1021836704.db2.gz RNXWXCKTMPLLMD-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM CCC1(C(=O)Nc2cc(-c3n[nH]c(=O)[n-]3)ccc2C)CCCCC1 ZINC000581834113 1021853783 /nfs/dbraw/zinc/85/37/83/1021853783.db2.gz GRUUOZLLRLJPJO-UHFFFAOYSA-N -1 0 328.416 3.785 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)c2nn(-c3ccccc3F)cc2[O-])cc1 ZINC000519169227 1021908521 /nfs/dbraw/zinc/90/85/21/1021908521.db2.gz SMDJXVAUKIGBRK-CYBMUJFWSA-N -1 0 339.370 3.516 20 0 EHADRM CC(C)c1ccc(NC(=O)N[C@H](CCOC(C)(C)C)C(=O)[O-])cc1 ZINC000517075150 1022006514 /nfs/dbraw/zinc/00/65/14/1022006514.db2.gz FKYHJUPSCCPVCB-OAHLLOKOSA-N -1 0 336.432 3.590 20 0 EHADRM O=C([O-])CC1(CC(=O)NCC2(Cc3ccccc3)CCC2)CCCC1 ZINC000341485433 1022021350 /nfs/dbraw/zinc/02/13/50/1022021350.db2.gz SUNRAZVNAGZVPU-UHFFFAOYSA-N -1 0 343.467 3.941 20 0 EHADRM CSc1c(F)cccc1C(=O)N=c1[nH][n-]c(-c2ccc(C)o2)c1C ZINC000437666309 1022040108 /nfs/dbraw/zinc/04/01/08/1022040108.db2.gz KDRCCYUECQJLEK-UHFFFAOYSA-N -1 0 345.399 3.822 20 0 EHADRM O=S(=O)([N-]c1ccc(OCc2ccccc2F)cc1)c1ccco1 ZINC000437669363 1022041311 /nfs/dbraw/zinc/04/13/11/1022041311.db2.gz OOFFXRUGOGSNGB-UHFFFAOYSA-N -1 0 347.367 3.799 20 0 EHADRM C[C@H](CNC(=O)c1ccc([O-])c(Cl)c1)Oc1cccc(Cl)c1 ZINC000440274315 1022059836 /nfs/dbraw/zinc/05/98/36/1022059836.db2.gz QCVUVBJMWKFTRG-SNVBAGLBSA-N -1 0 340.206 3.896 20 0 EHADRM C[C@@H](N=c1[n-]c(-c2cccc(Cl)c2)no1)c1ccc2n[nH]cc2c1 ZINC000517192503 1022118032 /nfs/dbraw/zinc/11/80/32/1022118032.db2.gz MBYCCZAEJKAUKC-SNVBAGLBSA-N -1 0 339.786 3.861 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)CCc2cccc(Cl)c2)n1 ZINC000506833817 1022128266 /nfs/dbraw/zinc/12/82/66/1022128266.db2.gz IWVMUGTWZUXZBD-UHFFFAOYSA-N -1 0 344.889 3.733 20 0 EHADRM CCCc1nc(=NC(=O)N2CC[C@@H](c3cc(C)cc(C)c3)C2)s[n-]1 ZINC000517204320 1022130153 /nfs/dbraw/zinc/13/01/53/1022130153.db2.gz RDACULPZUXTJBQ-CQSZACIVSA-N -1 0 344.484 3.551 20 0 EHADRM CCSc1n[n-]c(=NC(=O)c2ccc(O[C@@H](C)CC)cc2)s1 ZINC000425928948 1022238686 /nfs/dbraw/zinc/23/86/86/1022238686.db2.gz WOYQXXGJWJKAGP-JTQLQIEISA-N -1 0 337.470 3.502 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000187840922 1022255325 /nfs/dbraw/zinc/25/53/25/1022255325.db2.gz DCQDSVVAVDOKRA-HIFRSBDPSA-N -1 0 333.403 3.675 20 0 EHADRM CC1(C)CCCCN(C(=O)N=c2[n-]nc(-c3ccccc3)s2)C1 ZINC000437915657 1022265263 /nfs/dbraw/zinc/26/52/63/1022265263.db2.gz GWAZMCDBMDGLEW-UHFFFAOYSA-N -1 0 330.457 3.671 20 0 EHADRM CC(C)[C@@H](CNC(=O)[C@H](C)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000655573400 1022351662 /nfs/dbraw/zinc/35/16/62/1022351662.db2.gz REXZPEPUUPIOIU-NXEZZACHSA-N -1 0 332.227 3.570 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)N2CC[C@@H](C)C[C@H]2C(=O)[O-])cc1 ZINC000517485304 1022371617 /nfs/dbraw/zinc/37/16/17/1022371617.db2.gz DSQIYMNJPTVQSQ-PBHICJAKSA-N -1 0 348.443 3.829 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000487386263 1022412453 /nfs/dbraw/zinc/41/24/53/1022412453.db2.gz GKOSJNBKXQASLT-UHFFFAOYSA-N -1 0 332.208 3.803 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2OC)s1 ZINC000048961824 1022422296 /nfs/dbraw/zinc/42/22/96/1022422296.db2.gz TYEBFTHTBZDYPI-UHFFFAOYSA-N -1 0 331.846 3.773 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1cc(F)c(F)c(F)c1 ZINC000188450574 1022425189 /nfs/dbraw/zinc/42/51/89/1022425189.db2.gz PUWBWSMCIWPNLI-UHFFFAOYSA-N -1 0 333.356 3.627 20 0 EHADRM C[C@@H]1C[C@H](C)N(C(=O)N=c2[n-]nc(SCc3ccccc3)s2)C1 ZINC000607194534 1033052526 /nfs/dbraw/zinc/05/25/26/1033052526.db2.gz WYNVILIWOWQKSG-NEPJUHHUSA-N -1 0 348.497 3.515 20 0 EHADRM Cc1ccc([C@H]2OCCC[C@@H]2CN=c2[n-]nc(C(F)F)s2)cc1 ZINC000517612781 1022499440 /nfs/dbraw/zinc/49/94/40/1022499440.db2.gz AAETWBVDGIRGGV-CHWSQXEVSA-N -1 0 339.411 3.786 20 0 EHADRM Cc1n[n-]c(=NC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)s1 ZINC000517659578 1022540991 /nfs/dbraw/zinc/54/09/91/1022540991.db2.gz VGTHJYVFIAQPMF-UHFFFAOYSA-N -1 0 348.447 3.774 20 0 EHADRM CCC(CC)(CC(=O)Nc1cccc(C)c1Br)C(=O)[O-] ZINC000131139779 1022569540 /nfs/dbraw/zinc/56/95/40/1022569540.db2.gz IPIYPEGANFFQIP-UHFFFAOYSA-N -1 0 342.233 3.977 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2OCC2CC2)c1 ZINC000303918378 1022624472 /nfs/dbraw/zinc/62/44/72/1022624472.db2.gz VJEJASLKAXXQLK-UHFFFAOYSA-N -1 0 331.437 3.893 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])[C@H](C)[C@H](C)O1 ZINC000438392791 1022631956 /nfs/dbraw/zinc/63/19/56/1022631956.db2.gz FCYSJVKQNPWEHD-UTUOFQBUSA-N -1 0 333.815 3.837 20 0 EHADRM Cc1nn(C)c([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)c1C ZINC000506851026 1022634683 /nfs/dbraw/zinc/63/46/83/1022634683.db2.gz KROJXEJQCIBSLW-UHFFFAOYSA-N -1 0 341.436 3.505 20 0 EHADRM COC(=O)[C@H]1CCC[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000330846695 1022695609 /nfs/dbraw/zinc/69/56/09/1022695609.db2.gz CFJDRECIQPQRMV-BDAKNGLRSA-N -1 0 346.210 3.617 20 0 EHADRM C[C@H](NC(=O)c1cc2cc(Cl)ccc2o1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655582061 1022703912 /nfs/dbraw/zinc/70/39/12/1022703912.db2.gz GQQNLOYQEPOLSG-TVYUQYBPSA-N -1 0 349.814 3.951 20 0 EHADRM [O-]c1cc(Br)ccc1-c1nc(Cc2ccc(F)cc2)no1 ZINC000111687531 1022704371 /nfs/dbraw/zinc/70/43/71/1022704371.db2.gz UMXFZVMMUZOREC-UHFFFAOYSA-N -1 0 349.159 3.935 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1cn2ccnc2s1 ZINC000188746061 1022887233 /nfs/dbraw/zinc/88/72/33/1022887233.db2.gz CFSNDVUGWHKUJL-UHFFFAOYSA-N -1 0 328.180 3.661 20 0 EHADRM COc1ccc2oc(CN[C@H](C(=O)[O-])c3ccc(C)cc3)cc2c1 ZINC000426676590 1022964397 /nfs/dbraw/zinc/96/43/97/1022964397.db2.gz DSNRVDXBDZRYIW-SFHVURJKSA-N -1 0 325.364 3.665 20 0 EHADRM Cc1cccc([C@@H](NCc2nc3c(s2)C[C@@H](C)CC3)C(=O)[O-])c1C ZINC000426729635 1022997173 /nfs/dbraw/zinc/99/71/73/1022997173.db2.gz FLIRRQLQYHMJRW-BBATYDOGSA-N -1 0 344.480 3.800 20 0 EHADRM Cc1cccc([C@@H](NCc2c[nH]c(-c3ccccc3)n2)C(=O)[O-])c1C ZINC000426730880 1022999795 /nfs/dbraw/zinc/99/97/95/1022999795.db2.gz MVHWCIUFYOOAMM-GOSISDBHSA-N -1 0 335.407 3.609 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccccc2-c2cn[nH]c2)s1 ZINC000438809908 1023019548 /nfs/dbraw/zinc/01/95/48/1023019548.db2.gz AVSFQGTVYGPVLP-UHFFFAOYSA-N -1 0 333.438 3.501 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NCc2csc(Br)c2)o1 ZINC000426794363 1023052368 /nfs/dbraw/zinc/05/23/68/1023052368.db2.gz UGPKHPKRWHVALA-JTQLQIEISA-N -1 0 344.230 3.718 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])[S@@](=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000562978616 1023049592 /nfs/dbraw/zinc/04/95/92/1023049592.db2.gz TVBIZTCHBNTGKK-MQJDWESPSA-N -1 0 342.766 3.966 20 0 EHADRM O=C([O-])[C@H](NCc1ccc(F)cc1Br)c1ccsc1 ZINC000426791736 1023049903 /nfs/dbraw/zinc/04/99/03/1023049903.db2.gz JKWCJULFTBWRAZ-GFCCVEGCSA-N -1 0 344.205 3.565 20 0 EHADRM CC[C@@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1c(C)noc1C ZINC000189536476 1023049818 /nfs/dbraw/zinc/04/98/18/1023049818.db2.gz SEWGPHBJHWZMOF-GFCCVEGCSA-N -1 0 326.755 3.671 20 0 EHADRM O=C([O-])[C@@H](NCc1cnc(-c2cccs2)s1)c1ccsc1 ZINC000426792780 1023052131 /nfs/dbraw/zinc/05/21/31/1023052131.db2.gz NUSGPUAZEXIZEE-LBPRGKRZSA-N -1 0 336.463 3.849 20 0 EHADRM CCN(Cc1c[nH]c2ccccc12)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000189557400 1023052530 /nfs/dbraw/zinc/05/25/30/1023052530.db2.gz MDMZVFZDVXDVLE-UHFFFAOYSA-N -1 0 330.334 3.814 20 0 EHADRM CO[C@H](C)c1nc(=Nc2ccc(CCC(F)(F)F)cc2)s[n-]1 ZINC000509567916 1023068690 /nfs/dbraw/zinc/06/86/90/1023068690.db2.gz HFUQPKXKDVTNPI-SECBINFHSA-N -1 0 331.363 3.906 20 0 EHADRM CCCOc1ccc([N-]S(=O)(=O)c2cccc(F)c2F)cc1 ZINC000506994243 1023069284 /nfs/dbraw/zinc/06/92/84/1023069284.db2.gz GEVHOXXPWCRJMI-UHFFFAOYSA-N -1 0 327.352 3.554 20 0 EHADRM CO[C@H](C)c1nc(=N[C@@H](c2ccc(F)cc2F)C(C)C)s[n-]1 ZINC000509580616 1023078768 /nfs/dbraw/zinc/07/87/68/1023078768.db2.gz YTXLKRRQKLQLNX-NOZJJQNGSA-N -1 0 327.400 3.755 20 0 EHADRM COCc1nc(=NC[C@H](Cc2ccccc2)c2ccccc2)s[n-]1 ZINC000426889481 1023091088 /nfs/dbraw/zinc/09/10/88/1023091088.db2.gz FQTXZYFMZCVDRF-KRWDZBQOSA-N -1 0 339.464 3.545 20 0 EHADRM Cc1cc2cccnc2c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000507023176 1023091141 /nfs/dbraw/zinc/09/11/41/1023091141.db2.gz WHXSLHYUJJRRIT-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM CC(C)COc1cccc([N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000509591379 1023095912 /nfs/dbraw/zinc/09/59/12/1023095912.db2.gz PYJXYBVJCAZGKW-UHFFFAOYSA-N -1 0 341.379 3.800 20 0 EHADRM Cc1ccc(CCC(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)o1 ZINC000471915504 1023168746 /nfs/dbraw/zinc/16/87/46/1023168746.db2.gz QMPXJQLLEVUJNN-UHFFFAOYSA-N -1 0 347.827 3.753 20 0 EHADRM CN(CC(C)(C)C)C(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000438941410 1023172110 /nfs/dbraw/zinc/17/21/10/1023172110.db2.gz FFWWWABKRIYTBW-UHFFFAOYSA-N -1 0 334.641 3.926 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)Nc3ccc(O)cc3)n2)cc1 ZINC000438961688 1023175598 /nfs/dbraw/zinc/17/55/98/1023175598.db2.gz DSKQUGBAOVTFHM-UHFFFAOYSA-N -1 0 337.379 3.659 20 0 EHADRM O=C(Nc1cnc(-c2ccccc2)nc1)c1c([O-])cccc1Cl ZINC000761041996 1033116195 /nfs/dbraw/zinc/11/61/95/1033116195.db2.gz GKHGSJDDZQIIBA-UHFFFAOYSA-N -1 0 325.755 3.755 20 0 EHADRM CCC(=O)c1cccc(NC(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000520489821 1023259092 /nfs/dbraw/zinc/25/90/92/1023259092.db2.gz VAAWAQCRSHPPLF-QGZVFWFLSA-N -1 0 340.379 3.569 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC[C@@H]3C(C)C)n2)cc1 ZINC000439089511 1023263657 /nfs/dbraw/zinc/26/36/57/1023263657.db2.gz VIUYRJQNMUBQQI-QGZVFWFLSA-N -1 0 341.455 3.962 20 0 EHADRM O=C([O-])[C@@H](CC(=O)N[C@H]1CCCc2ccc(F)cc21)c1ccccc1 ZINC000684558591 1023317686 /nfs/dbraw/zinc/31/76/86/1023317686.db2.gz LPXAOZYDYQNKOM-ROUUACIJSA-N -1 0 341.382 3.578 20 0 EHADRM CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1sc(C)cc1C ZINC000431149654 1023342960 /nfs/dbraw/zinc/34/29/60/1023342960.db2.gz CGQJMGNJRYMNOY-UHFFFAOYSA-N -1 0 341.454 3.573 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2sc(C)cc2C)c(C)c1 ZINC000431165895 1023374019 /nfs/dbraw/zinc/37/40/19/1023374019.db2.gz HRWVWHZBIQPMHJ-UHFFFAOYSA-N -1 0 325.455 3.873 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N[C@H]2CC(C)(C)c3ccccc32)s1 ZINC000431558482 1033173576 /nfs/dbraw/zinc/17/35/76/1033173576.db2.gz PXRAYOPXAGJSID-LBPRGKRZSA-N -1 0 348.497 3.616 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccnc2C(F)(F)F)cc1Cl ZINC000190603834 1023966742 /nfs/dbraw/zinc/96/67/42/1023966742.db2.gz ARVCFTNKKPCKNI-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2nnc(C(C)(C)C)s2)c1Cl ZINC000181135850 1023993416 /nfs/dbraw/zinc/99/34/16/1023993416.db2.gz FTSNCNOTCAEXKN-UHFFFAOYSA-N -1 0 345.877 3.598 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(CCC(=O)[O-])c2)c2ccccc2n1 ZINC000326987742 1023994200 /nfs/dbraw/zinc/99/42/00/1023994200.db2.gz XFHHASQIVRILIU-UHFFFAOYSA-N -1 0 334.375 3.813 20 0 EHADRM CCCC[C@@H](NC(=O)c1ccc(NCc2ccsc2)cc1)C(=O)[O-] ZINC000909507680 1024026703 /nfs/dbraw/zinc/02/67/03/1024026703.db2.gz SCWSIJKEBKBCQA-MRXNPFEDSA-N -1 0 346.452 3.733 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1ccc2c(c1)CCC2 ZINC000236642529 1024046328 /nfs/dbraw/zinc/04/63/28/1024046328.db2.gz UAQMABGPYRCCEX-UHFFFAOYSA-N -1 0 339.391 3.913 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522538981 1024047208 /nfs/dbraw/zinc/04/72/08/1024047208.db2.gz FWEGKHLSIWIFDK-KGLIPLIRSA-N -1 0 347.340 3.537 20 0 EHADRM O=C(NC[C@H]1CC[C@@H](O)C1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000191317532 1024056034 /nfs/dbraw/zinc/05/60/34/1024056034.db2.gz CVGOJDIGUZLYMT-SWLSCSKDSA-N -1 0 345.826 3.603 20 0 EHADRM CN(C(=O)c1ccc2ccc(Cl)cc2n1)C1(C(=O)[O-])CCCCC1 ZINC000191284703 1024066080 /nfs/dbraw/zinc/06/60/80/1024066080.db2.gz PSQWATMNGLXDLH-UHFFFAOYSA-N -1 0 346.814 3.748 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(-c2ccccc2OC[C@@H]2CCOC2)cc1 ZINC000657204077 1024080759 /nfs/dbraw/zinc/08/07/59/1024080759.db2.gz KAMGITLYWYIFLP-LSDHHAIUSA-N -1 0 326.392 3.957 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(-c2ccc(O[C@H]3CCOC3)cc2)cc1 ZINC000657204403 1024105572 /nfs/dbraw/zinc/10/55/72/1024105572.db2.gz KDJDBCOSSZVYMC-SFHVURJKSA-N -1 0 326.392 3.884 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N2CCC[C@@H](C(C)(C)C)CC2)s1 ZINC000522610688 1024114988 /nfs/dbraw/zinc/11/49/88/1024114988.db2.gz NBXUKWXPXMSOJT-CYBMUJFWSA-N -1 0 338.521 3.839 20 0 EHADRM COc1nc(C(F)(F)F)ccc1-c1ccccc1[C@@H](OC)C(=O)[O-] ZINC000657206769 1024127970 /nfs/dbraw/zinc/12/79/70/1024127970.db2.gz QUYLUOXIWOQCHX-CYBMUJFWSA-N -1 0 341.285 3.548 20 0 EHADRM COc1ccc(-c2ccc(CC(C)(C)C(=O)[O-])cc2C)c(CO)c1 ZINC000657208029 1024130622 /nfs/dbraw/zinc/13/06/22/1024130622.db2.gz XEWMZJFFJKBRRU-UHFFFAOYSA-N -1 0 328.408 3.816 20 0 EHADRM CC[C@@H](Cc1ccc(NCc2c(C)nn(CC)c2C)cc1)C(=O)[O-] ZINC000417615892 1024162369 /nfs/dbraw/zinc/16/23/69/1024162369.db2.gz YEYKJFVMDPSGLJ-INIZCTEOSA-N -1 0 329.444 3.785 20 0 EHADRM COc1ccc(NC(=O)c2ccc(Br)cc2[O-])cc1F ZINC000044490650 1033496248 /nfs/dbraw/zinc/49/62/48/1033496248.db2.gz BUESPFCMNSKZSV-UHFFFAOYSA-N -1 0 340.148 3.555 20 0 EHADRM Cc1ccc(C(C)C)c(OCCC(=O)NOCc2ccccn2)c1 ZINC000909541525 1024177785 /nfs/dbraw/zinc/17/77/85/1024177785.db2.gz FCAOIQAWMQLBNR-UHFFFAOYSA-N -1 0 328.412 3.530 20 0 EHADRM CC(C)(C)c1ccc([N-]S(=O)(=O)c2cccc3c2OCCO3)cc1 ZINC000509620161 1024199762 /nfs/dbraw/zinc/19/97/62/1024199762.db2.gz NWEWXQHXNNUWHO-UHFFFAOYSA-N -1 0 347.436 3.556 20 0 EHADRM Cc1[n-]n(-c2ccccc2Cl)c(=O)c1C(=O)Nc1cccc(C)c1 ZINC000505448555 1024224994 /nfs/dbraw/zinc/22/49/94/1024224994.db2.gz BMWXHKSDFPJJQZ-INIZCTEOSA-N -1 0 341.798 3.626 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2ccc(C)c3c[nH]nc32)cc1 ZINC000063635539 1024237492 /nfs/dbraw/zinc/23/74/92/1024237492.db2.gz GJVCFRPDXBEJIW-UHFFFAOYSA-N -1 0 329.425 3.625 20 0 EHADRM COCCOc1cccc(-c2ccc(CSCC(=O)[O-])cc2)c1 ZINC000520611068 1024249804 /nfs/dbraw/zinc/24/98/04/1024249804.db2.gz GTRAXHZIJYJKSU-UHFFFAOYSA-N -1 0 332.421 3.697 20 0 EHADRM COc1ccc(S[C@H](C)C(=O)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC000614630743 1024299866 /nfs/dbraw/zinc/29/98/66/1024299866.db2.gz AMCJTSCKUIZABO-GFCCVEGCSA-N -1 0 345.420 3.821 20 0 EHADRM Cc1n[nH]cc1S(=O)(=O)[N-]c1ccccc1Oc1ccc(C)cc1 ZINC000324208333 1024308395 /nfs/dbraw/zinc/30/83/95/1024308395.db2.gz OSFLCSFWGAAWKC-UHFFFAOYSA-N -1 0 343.408 3.620 20 0 EHADRM CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)CC1CCCC1 ZINC000548535805 1024323558 /nfs/dbraw/zinc/32/35/58/1024323558.db2.gz VBTCWOHRIXLJFL-UHFFFAOYSA-N -1 0 339.457 3.511 20 0 EHADRM CC(C)(Oc1ccc(F)cc1)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000326740295 1024338877 /nfs/dbraw/zinc/33/88/77/1024338877.db2.gz JHBPFWKRLZPSGH-XGICHPGQSA-N -1 0 343.354 3.720 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)NC[C@@H](C)CC(=O)[O-])c(F)c2)cc1 ZINC000262124053 1024390109 /nfs/dbraw/zinc/39/01/09/1024390109.db2.gz HAXVYIJBCFDVLO-ZDUSSCGKSA-N -1 0 329.371 3.642 20 0 EHADRM O=C([O-])[C@H]1CC[C@@H](NC(=O)C2(c3cccc(Cl)c3)CCCC2)C1 ZINC000194461144 1024416482 /nfs/dbraw/zinc/41/64/82/1024416482.db2.gz RUOHBNFRHIKUQF-SWLSCSKDSA-N -1 0 335.831 3.521 20 0 EHADRM O=C(NCc1ccc(Cl)cc1F)c1cc(F)c([O-])c(Cl)c1 ZINC000192562187 1024444058 /nfs/dbraw/zinc/44/40/58/1024444058.db2.gz WTLXVINWIPVAKS-UHFFFAOYSA-N -1 0 332.133 3.907 20 0 EHADRM Cc1cc(C)c2c(c1)N(C(=O)CCc1ccccc1C(=O)[O-])CCC2 ZINC000262128429 1024450143 /nfs/dbraw/zinc/45/01/43/1024450143.db2.gz HGMHVGPGRIRRID-UHFFFAOYSA-N -1 0 337.419 3.914 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)N1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000425228579 1024463004 /nfs/dbraw/zinc/46/30/04/1024463004.db2.gz ANYGHTNLILVBQV-UZLBHIALSA-N -1 0 331.456 3.523 20 0 EHADRM Cc1cc(NC(=O)N(C)CCCC(=O)[O-])ccc1Oc1cccnc1 ZINC000417744612 1024478405 /nfs/dbraw/zinc/47/84/05/1024478405.db2.gz AATTVBISKPCGFN-UHFFFAOYSA-N -1 0 343.383 3.511 20 0 EHADRM CC(C)c1nn(C)cc1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000425234040 1024485268 /nfs/dbraw/zinc/48/52/68/1024485268.db2.gz WNLSUABPJMHROF-UHFFFAOYSA-N -1 0 328.199 3.808 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000425237533 1024491765 /nfs/dbraw/zinc/49/17/65/1024491765.db2.gz HLVYICARZUKXQN-APWZRJJASA-N -1 0 339.435 3.548 20 0 EHADRM O=C([O-])c1ccc([C@H](NC(=O)[C@H]2CCC[C@H](F)C2)C(F)(F)F)cc1 ZINC000425251867 1024509464 /nfs/dbraw/zinc/50/94/64/1024509464.db2.gz HUMOMUMOOJUTFW-AVGNSLFASA-N -1 0 347.308 3.633 20 0 EHADRM O=C([O-])[C@@H](C[C@@H]1CCCc2ccccc21)NC(=O)[C@H]1CCC[C@H](F)C1 ZINC000425251437 1024516350 /nfs/dbraw/zinc/51/63/50/1024516350.db2.gz HMLMCAAFHSXHED-NBOOPKSLSA-N -1 0 347.430 3.594 20 0 EHADRM Cc1ccc2[nH]c([N-]S(=O)(=O)c3csc4ccccc43)nc2c1 ZINC000427629334 1024523311 /nfs/dbraw/zinc/52/33/11/1024523311.db2.gz IKADFWMXGJZKIO-UHFFFAOYSA-N -1 0 343.433 3.887 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N(C)[C@@H]2CCc3ccccc32)s1 ZINC000514508197 1024525569 /nfs/dbraw/zinc/52/55/69/1024525569.db2.gz YYTDOWSCTPDQHG-OAHLLOKOSA-N -1 0 344.484 3.844 20 0 EHADRM O=S(=O)([N-]c1n[nH]c2c1cccc2Cl)c1ccc(Cl)cc1 ZINC000434973338 1024533747 /nfs/dbraw/zinc/53/37/47/1024533747.db2.gz MNZDRBWHQOPOGW-UHFFFAOYSA-N -1 0 342.207 3.671 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3C)[nH]n2)c(C)s1 ZINC000434972952 1024534667 /nfs/dbraw/zinc/53/46/67/1024534667.db2.gz KCTPKFFRGILATE-UHFFFAOYSA-N -1 0 347.465 3.864 20 0 EHADRM Cc1nc(C2CC2)ccc1C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000909523030 1024606373 /nfs/dbraw/zinc/60/63/73/1024606373.db2.gz LABGGZSHXSMZDO-GFCCVEGCSA-N -1 0 338.407 3.783 20 0 EHADRM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)nc1C ZINC000383529747 1024654097 /nfs/dbraw/zinc/65/40/97/1024654097.db2.gz AQLINWOTIJYHCT-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(SC)cc2)c1 ZINC000487401153 1024685183 /nfs/dbraw/zinc/68/51/83/1024685183.db2.gz FJYUYJRTUPGWFR-UHFFFAOYSA-N -1 0 343.857 3.871 20 0 EHADRM C[C@@H](CCNC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000327327533 1024691540 /nfs/dbraw/zinc/69/15/40/1024691540.db2.gz ABMGKXCJBFQGCQ-HRAATJIYSA-N -1 0 339.435 3.729 20 0 EHADRM CC(C)[C@@H](SCc1ccccc1)C(=O)[N-]OCc1ccccn1 ZINC000909526777 1024726779 /nfs/dbraw/zinc/72/67/79/1024726779.db2.gz AZBCDAITKGCXMI-QGZVFWFLSA-N -1 0 330.453 3.587 20 0 EHADRM COCc1cc(NC(=O)c2ccc(Cl)c(C)c2)cc(C(=O)[O-])c1 ZINC000427676950 1024728449 /nfs/dbraw/zinc/72/84/49/1024728449.db2.gz IPHYPEFCRNWULW-UHFFFAOYSA-N -1 0 333.771 3.745 20 0 EHADRM CC(C)(c1ccc([N-]S(=O)(=O)c2ccoc2)cc1)C(F)(F)F ZINC000507965447 1024794353 /nfs/dbraw/zinc/79/43/53/1024794353.db2.gz KOUAQBZUTUXNKI-UHFFFAOYSA-N -1 0 333.331 3.920 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccsc2)cc(C)c1Br ZINC000507984904 1024807835 /nfs/dbraw/zinc/80/78/35/1024807835.db2.gz HGVPYZSLHRANKI-UHFFFAOYSA-N -1 0 346.271 3.928 20 0 EHADRM CC(C)[C@@H](NC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])C1CC1 ZINC001167512918 1024903711 /nfs/dbraw/zinc/90/37/11/1024903711.db2.gz DGLFLGJKRXYNBU-GOSISDBHSA-N -1 0 327.380 3.629 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)cc1F ZINC000327448066 1024921191 /nfs/dbraw/zinc/92/11/91/1024921191.db2.gz RBDAAHWWXRSKIF-JLTOFOAXSA-N -1 0 343.398 3.744 20 0 EHADRM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(C2CCCC2)[nH]n1 ZINC000474413334 1024924164 /nfs/dbraw/zinc/92/41/64/1024924164.db2.gz MWZOXNKQHMHMAI-UHFFFAOYSA-N -1 0 339.848 3.830 20 0 EHADRM CCCN(C(=O)N[C@@H](C)c1cc2ccccc2o1)[C@H](CC)C(=O)[O-] ZINC000684717660 1024940814 /nfs/dbraw/zinc/94/08/14/1024940814.db2.gz YLHBZOYRSBFLJT-GXTWGEPZSA-N -1 0 332.400 3.779 20 0 EHADRM CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(C2CCC2)cc1 ZINC000428041612 1024953786 /nfs/dbraw/zinc/95/37/86/1024953786.db2.gz QTTLBMJXWJXSKX-UHFFFAOYSA-N -1 0 344.436 3.578 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)c1scnc1C1CCCC1 ZINC000909466791 1024954189 /nfs/dbraw/zinc/95/41/89/1024954189.db2.gz LIMRXLCZYNIUQE-UHFFFAOYSA-N -1 0 338.473 3.956 20 0 EHADRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cccs2)c1C1CC1 ZINC000536489931 1024958949 /nfs/dbraw/zinc/95/89/49/1024958949.db2.gz CFCPPEOWUCWXBD-JTQLQIEISA-N -1 0 325.459 3.594 20 0 EHADRM CC[C@H](NC(=O)N(C)[C@H](CC(C)C)C(=O)[O-])c1cccc(Cl)c1 ZINC000684719192 1024969298 /nfs/dbraw/zinc/96/92/98/1024969298.db2.gz IAWNMWUIBPXKBG-LSDHHAIUSA-N -1 0 340.851 3.932 20 0 EHADRM Cc1ccc([C@@H](C)[C@H](O)C(=O)Nc2cc(F)cc(Cl)c2[O-])cc1 ZINC000474436972 1024971988 /nfs/dbraw/zinc/97/19/88/1024971988.db2.gz OVTUXOBNJPWTBW-BMIGLBTASA-N -1 0 337.778 3.596 20 0 EHADRM Cc1ccc(S[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000013225078 1025077160 /nfs/dbraw/zinc/07/71/60/1025077160.db2.gz BCCFTMQGHVOGDP-YOEHRIQHSA-N -1 0 343.448 3.808 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC000262155614 1025092384 /nfs/dbraw/zinc/09/23/84/1025092384.db2.gz OGYADCZUHJJDQE-APWZRJJASA-N -1 0 339.435 3.773 20 0 EHADRM N#C/C(=C\c1ccc([O-])c([N+](=O)[O-])c1)C(=O)c1cccc(Cl)c1 ZINC000054216933 1025093676 /nfs/dbraw/zinc/09/36/76/1025093676.db2.gz APRVJHUUKPBAQM-WUXMJOGZSA-N -1 0 328.711 3.744 20 0 EHADRM O=C([O-])C1CCC(C(=O)NCCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000435712370 1025100554 /nfs/dbraw/zinc/10/05/54/1025100554.db2.gz AOUYKHCOCMMZJK-UHFFFAOYSA-N -1 0 333.472 3.600 20 0 EHADRM CCOc1ccc(S(=O)(=O)Nc2cc(C)c(OC)cc2C)cc1 ZINC000435721446 1025106004 /nfs/dbraw/zinc/10/60/04/1025106004.db2.gz CXDQTMUXRUAALL-UHFFFAOYSA-N -1 0 335.425 3.512 20 0 EHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1c(C)ccc2cccnc21 ZINC000435722315 1025106793 /nfs/dbraw/zinc/10/67/93/1025106793.db2.gz INOLRIDPGZSPGC-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM COc1cc(C)c([N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1C ZINC000435722337 1025107492 /nfs/dbraw/zinc/10/74/92/1025107492.db2.gz MSMRWZVFEVOKKE-UHFFFAOYSA-N -1 0 345.342 3.530 20 0 EHADRM COc1ccc(CN2CC[C@H](C(=O)[O-])c3ccccc32)cc1Cl ZINC000582053081 1025111579 /nfs/dbraw/zinc/11/15/79/1025111579.db2.gz JANZYWCTLSOLNU-AWEZNQCLSA-N -1 0 331.799 3.927 20 0 EHADRM CO[C@@H](C)c1nc(=NC(=O)C=CCc2ccc(C(C)C)cc2)s[n-]1 ZINC000511061233 1025126225 /nfs/dbraw/zinc/12/62/25/1025126225.db2.gz CIDCYJYSGZTXFC-SZZPACECSA-N -1 0 345.468 3.833 20 0 EHADRM Cc1cccnc1C(C)(C)CN=c1[n-]nc(Cc2ccccc2)s1 ZINC000515261749 1025127006 /nfs/dbraw/zinc/12/70/06/1025127006.db2.gz IUGJDXIJGWSBRZ-UHFFFAOYSA-N -1 0 338.480 3.644 20 0 EHADRM CCCCc1nnc([N-]S(=O)(=O)c2ccc3ccccc3c2)s1 ZINC000039891652 1025140019 /nfs/dbraw/zinc/14/00/19/1025140019.db2.gz QSFOHHJTMMAOPL-UHFFFAOYSA-N -1 0 347.465 3.835 20 0 EHADRM Cc1ccc(S(=O)(=O)N[C@@H](CC(F)(F)F)c2ccccc2C)o1 ZINC000443994837 1025159117 /nfs/dbraw/zinc/15/91/17/1025159117.db2.gz UCDLAFTWMUCNIH-ZDUSSCGKSA-N -1 0 347.358 3.868 20 0 EHADRM C[C@H](N=c1[n-]nc(C2CC2)s1)c1ccc(Br)s1 ZINC000443997143 1025165736 /nfs/dbraw/zinc/16/57/36/1025165736.db2.gz LLJJSSODTZCOGZ-LURJTMIESA-N -1 0 330.276 3.835 20 0 EHADRM CCc1cccc(C)c1N=c1[n-]nc(SCc2ccno2)s1 ZINC000521040714 1025184615 /nfs/dbraw/zinc/18/46/15/1025184615.db2.gz BLQKPBCMYABWGZ-UHFFFAOYSA-N -1 0 332.454 3.855 20 0 EHADRM CC(C)c1nc2cc(NC(=O)N3CCCCC[C@H]3C(=O)[O-])ccc2o1 ZINC000684745195 1025211638 /nfs/dbraw/zinc/21/16/38/1025211638.db2.gz HKDUHCHHXZSSBR-AWEZNQCLSA-N -1 0 345.399 3.812 20 0 EHADRM Cc1cc(=NC(=O)N(C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)[n-]nc1C ZINC000467472346 1025214963 /nfs/dbraw/zinc/21/49/63/1025214963.db2.gz GSZVXYQNWKXMMV-JSGCOSHPSA-N -1 0 346.862 3.825 20 0 EHADRM Cc1cc(=NC(=O)N(C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)[n-]nc1C ZINC000467472348 1025216869 /nfs/dbraw/zinc/21/68/69/1025216869.db2.gz GSZVXYQNWKXMMV-TZMCWYRMSA-N -1 0 346.862 3.825 20 0 EHADRM CCOc1cc(-c2noc([C@](C)(O)C3CCC3)n2)cc(Cl)c1O ZINC000896205554 1025236709 /nfs/dbraw/zinc/23/67/09/1025236709.db2.gz RXKLXJHDFVWEGD-MRXNPFEDSA-N -1 0 338.791 3.502 20 0 EHADRM CSc1ccc(NC(=O)N2CCCCC[C@H]2C(=O)[O-])cc1Cl ZINC000684750298 1025272525 /nfs/dbraw/zinc/27/25/25/1025272525.db2.gz XFUZOIGAYSHSJW-LBPRGKRZSA-N -1 0 342.848 3.923 20 0 EHADRM Cc1c2cc3c(cc2nc(C(=O)[O-])c1-c1cccc(F)c1)OCO3 ZINC000515483898 1025276731 /nfs/dbraw/zinc/27/67/31/1025276731.db2.gz MOKPBAJKEZZGAP-UHFFFAOYSA-N -1 0 325.295 3.776 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000037494178 1025314614 /nfs/dbraw/zinc/31/46/14/1025314614.db2.gz LWACNSUSQWRMCC-NEPJUHHUSA-N -1 0 329.849 3.641 20 0 EHADRM CC[C@](C)([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)C(F)(F)F ZINC000515595804 1025392531 /nfs/dbraw/zinc/39/25/31/1025392531.db2.gz GUWZAFZEPCMPOS-LBPRGKRZSA-N -1 0 345.333 3.775 20 0 EHADRM Cc1oc2ccc(NC(=O)N(CC(=O)[O-])C3CCCC3)cc2c1C ZINC000515604543 1025398559 /nfs/dbraw/zinc/39/85/59/1025398559.db2.gz APWZXOMZTGFRHC-UHFFFAOYSA-N -1 0 330.384 3.911 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000684771958 1025416372 /nfs/dbraw/zinc/41/63/72/1025416372.db2.gz SUZUDESQZRXIGN-JOCQHMNTSA-N -1 0 333.428 3.822 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)Nc1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000521488615 1025416733 /nfs/dbraw/zinc/41/67/33/1025416733.db2.gz VJKPNZOGYBFWPO-MFKMUULPSA-N -1 0 346.349 3.802 20 0 EHADRM C[C@@H](O)C[C@@H](C)CN=c1[n-]nc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000444082862 1025424427 /nfs/dbraw/zinc/42/44/27/1025424427.db2.gz WVKCWMSCOIDLSA-RKDXNWHRSA-N -1 0 346.283 3.753 20 0 EHADRM CCS(=O)(=O)c1ccc([O-])c(NC(=O)CCCCC(C)(C)C)c1 ZINC000342440132 1025495452 /nfs/dbraw/zinc/49/54/52/1025495452.db2.gz ORPXWRLEJTZGLC-UHFFFAOYSA-N -1 0 341.473 3.731 20 0 EHADRM CC(C)c1ccc(SCC(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC000532254304 1025503742 /nfs/dbraw/zinc/50/37/42/1025503742.db2.gz YWWVGMJJYZFLJB-UHFFFAOYSA-N -1 0 343.448 3.917 20 0 EHADRM CCCS(=O)(=O)[N-]c1nc(-c2ncccc2Cl)c(CC)s1 ZINC000451081586 1025520315 /nfs/dbraw/zinc/52/03/15/1025520315.db2.gz SDFVWUUXNPWLCE-UHFFFAOYSA-N -1 0 345.877 3.573 20 0 EHADRM Cc1ccc2nc(C)c(C(=O)Nc3ccc(CC(=O)[O-])cc3)cc2c1 ZINC000347117556 1025534376 /nfs/dbraw/zinc/53/43/76/1025534376.db2.gz UVOJHAYQIZXBAY-UHFFFAOYSA-N -1 0 334.375 3.731 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2scnc2C(C)C)cc1Cl ZINC000451104272 1025567647 /nfs/dbraw/zinc/56/76/47/1025567647.db2.gz QVCLHHWMFKYYBD-UHFFFAOYSA-N -1 0 346.861 3.729 20 0 EHADRM CC(C)Oc1ccc(S(=O)(=O)[N-]c2scnc2C(C)C)cc1 ZINC000451104645 1025569135 /nfs/dbraw/zinc/56/91/35/1025569135.db2.gz SAWCTJKBSJYOAY-UHFFFAOYSA-N -1 0 340.470 3.855 20 0 EHADRM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)Nc1ccc(Cl)c(F)c1 ZINC000392010139 1025569825 /nfs/dbraw/zinc/56/98/25/1025569825.db2.gz NKNAVWHDDYLMGD-HNNXBMFYSA-N -1 0 348.761 3.523 20 0 EHADRM CCc1n[n-]c(=NC(=O)NCC2CCC(c3ccccc3)CC2)s1 ZINC000521743347 1025646122 /nfs/dbraw/zinc/64/61/22/1025646122.db2.gz QNFTWKCHWVKKFQ-UHFFFAOYSA-N -1 0 344.484 3.618 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])cc2)cs1 ZINC000324405749 1025719501 /nfs/dbraw/zinc/71/95/01/1025719501.db2.gz UJPNURHMEMYXAQ-CABCVRRESA-N -1 0 344.436 3.948 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)N=c1[n-]nc(C2CC2)s1)c1cccc(F)c1 ZINC000582277173 1025725287 /nfs/dbraw/zinc/72/52/87/1025725287.db2.gz OOMDCKQDQDUASY-ZDUSSCGKSA-N -1 0 348.447 3.885 20 0 EHADRM CCCC[C@H](NC(=O)C(C)(C)Cc1cccc(Cl)c1)C(=O)[O-] ZINC000347254818 1025736655 /nfs/dbraw/zinc/73/66/55/1025736655.db2.gz CAUKUXZKJHQJPO-AWEZNQCLSA-N -1 0 325.836 3.668 20 0 EHADRM C/C=C/C[C@H](NC(=O)N[C@@H](C)c1oc2ccccc2c1C)C(=O)[O-] ZINC000582285235 1025764605 /nfs/dbraw/zinc/76/46/05/1025764605.db2.gz VJKKGCLPSZMHHE-ZWYFHCDOSA-N -1 0 330.384 3.521 20 0 EHADRM C[C@H](NC(=O)NC[C@H](C(=O)[O-])C1CCC1)c1cc2ccccc2s1 ZINC000665310180 1025822532 /nfs/dbraw/zinc/82/25/32/1025822532.db2.gz KIZNBDYHRPLZGJ-FZMZJTMJSA-N -1 0 346.452 3.762 20 0 EHADRM O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cc(F)c([O-])c(F)c1 ZINC000436522969 1025824868 /nfs/dbraw/zinc/82/48/68/1025824868.db2.gz PDQANVUILDQRDZ-SCZZXKLOSA-N -1 0 337.288 3.769 20 0 EHADRM C[C@H](NC(=O)c1cc(F)c([O-])c(F)c1)c1ccccc1OC(F)F ZINC000436527766 1025830150 /nfs/dbraw/zinc/83/01/50/1025830150.db2.gz FBPAQURWJSZGAO-QMMMGPOBSA-N -1 0 343.276 3.763 20 0 EHADRM CC(=O)Nc1ccc(NC(=O)c2cc(F)c([O-])c(F)c2)cc1Cl ZINC000436532997 1025837939 /nfs/dbraw/zinc/83/79/39/1025837939.db2.gz SMVPOLHEKZQDEL-UHFFFAOYSA-N -1 0 340.713 3.535 20 0 EHADRM COC(=O)c1ccc(O)c(NC(=O)[C@@H](C)Sc2ccc(C)cc2)c1 ZINC000436517173 1025847414 /nfs/dbraw/zinc/84/74/14/1025847414.db2.gz YKBGMHWGLQXKIG-GFCCVEGCSA-N -1 0 345.420 3.607 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1cccn1C1CCCC1 ZINC000191106990 1025847362 /nfs/dbraw/zinc/84/73/62/1025847362.db2.gz HWXBJSTWIZDMDW-QGZVFWFLSA-N -1 0 340.423 3.857 20 0 EHADRM C[C@@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1ccc(Cl)cn1 ZINC000436547515 1025852973 /nfs/dbraw/zinc/85/29/73/1025852973.db2.gz QTTSHMVMMLUWDH-SSDOTTSWSA-N -1 0 329.158 3.724 20 0 EHADRM C[C@H](CC(=O)OC(C)(C)C)NC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000436542985 1025871337 /nfs/dbraw/zinc/87/13/37/1025871337.db2.gz JOAVKEWJKUOHTG-MRVPVSSYSA-N -1 0 348.226 3.549 20 0 EHADRM C[C@H](NC(=O)N=c1nc(C(C)(C)C)[n-]s1)c1ccccc1Cl ZINC000436560731 1025886837 /nfs/dbraw/zinc/88/68/37/1025886837.db2.gz FHRMTHAEQYQFOE-VIFPVBQESA-N -1 0 338.864 3.794 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000262079939 1025899105 /nfs/dbraw/zinc/89/91/05/1025899105.db2.gz BKDIEXZKLSJOCE-STQMWFEESA-N -1 0 337.382 3.897 20 0 EHADRM CCN(Cc1c(F)cccc1F)C(=O)CCc1ccccc1C(=O)[O-] ZINC000262170001 1025900945 /nfs/dbraw/zinc/90/09/45/1025900945.db2.gz LGOVVALMTNSLDJ-UHFFFAOYSA-N -1 0 347.361 3.644 20 0 EHADRM C[C@@H](O)CC(C)(C)CNC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436571097 1025903717 /nfs/dbraw/zinc/90/37/17/1025903717.db2.gz CINZXJSCRDBSAM-LLVKDONJSA-N -1 0 335.831 3.726 20 0 EHADRM Cc1nn(C)cc1[C@H](C)NC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436572234 1025906487 /nfs/dbraw/zinc/90/64/87/1025906487.db2.gz YNLJGNDUINQSKI-JTQLQIEISA-N -1 0 343.814 3.732 20 0 EHADRM CC(C)c1nc(=N[C@@H]2C[C@H]2c2ccc(Br)s2)s[n-]1 ZINC000530482382 1025915122 /nfs/dbraw/zinc/91/51/22/1025915122.db2.gz COOAZRZSHCPDSG-HTQZYQBOSA-N -1 0 344.303 3.875 20 0 EHADRM C[C@H](NC(=O)c1cc(Cl)c2ccccc2c1[O-])C1CCOCC1 ZINC000436578145 1025919083 /nfs/dbraw/zinc/91/90/83/1025919083.db2.gz QDSZAGSJNBGYGO-NSHDSACASA-N -1 0 333.815 3.744 20 0 EHADRM CCC[C@@H]1CCCN(C(=O)c2ccc(Br)cc2O)C1 ZINC000436588505 1025927496 /nfs/dbraw/zinc/92/74/96/1025927496.db2.gz MYERKBGRWDGLSW-LLVKDONJSA-N -1 0 326.234 3.807 20 0 EHADRM CC(C)c1cccnc1NC(=O)c1ccc(Br)cc1[O-] ZINC000436606999 1025937652 /nfs/dbraw/zinc/93/76/52/1025937652.db2.gz NPRZSGWVZGSEDL-UHFFFAOYSA-N -1 0 335.201 3.925 20 0 EHADRM Cc1cnc(NC(=O)c2cc(Cl)cc(Br)c2[O-])s1 ZINC000436635800 1025964616 /nfs/dbraw/zinc/96/46/16/1025964616.db2.gz RNXFUFWOCILXER-UHFFFAOYSA-N -1 0 347.621 3.825 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H]1C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000634818974 1025967754 /nfs/dbraw/zinc/96/77/54/1025967754.db2.gz BUEACPQUIZKUBJ-ROUUACIJSA-N -1 0 345.439 3.975 20 0 EHADRM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000436639783 1025969450 /nfs/dbraw/zinc/96/94/50/1025969450.db2.gz RJIJDMRAYQPAHR-XXFAHNHDSA-N -1 0 335.325 3.863 20 0 EHADRM O=C(CCc1ccc(Cl)cc1)N=c1nc(-c2ccccc2)[n-]s1 ZINC000614689317 1025976889 /nfs/dbraw/zinc/97/68/89/1025976889.db2.gz WNESXEXMPVGSML-UHFFFAOYSA-N -1 0 343.839 3.852 20 0 EHADRM CCCn1c(CNc2ccc(F)c(C(=O)[O-])c2)nc2ccccc21 ZINC000324572033 1025984051 /nfs/dbraw/zinc/98/40/51/1025984051.db2.gz UCWLKEZDAJUXJZ-UHFFFAOYSA-N -1 0 327.359 3.896 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ncccc2C(F)(F)F)c1 ZINC000436644643 1025994617 /nfs/dbraw/zinc/99/46/17/1025994617.db2.gz KFSAGIJYSXRLFW-UHFFFAOYSA-N -1 0 338.285 3.651 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c1 ZINC000436644171 1025994684 /nfs/dbraw/zinc/99/46/84/1025994684.db2.gz IBKKZTIHAOBRPN-KRWDZBQOSA-N -1 0 345.782 3.581 20 0 EHADRM CC(C)Oc1ccc(C(=O)N=c2nc(-c3ccccc3)[n-]s2)cc1 ZINC000614688930 1025997864 /nfs/dbraw/zinc/99/78/64/1025997864.db2.gz IJSAHDSBTNUUDY-UHFFFAOYSA-N -1 0 339.420 3.667 20 0 EHADRM CCCc1nc(=NC(=O)N(Cc2ccccc2)[C@H](C)CC)s[n-]1 ZINC000516119579 1026007236 /nfs/dbraw/zinc/00/72/36/1026007236.db2.gz VYCFHRFFCCOFJE-CYBMUJFWSA-N -1 0 332.473 3.745 20 0 EHADRM C[C@@H]1CN(C(=O)Cc2cccc(C(=O)[O-])c2)CC[C@@H]1c1ccccc1 ZINC000262175699 1026009249 /nfs/dbraw/zinc/00/92/49/1026009249.db2.gz LUVBAPZZAZPJRD-BEFAXECRSA-N -1 0 337.419 3.580 20 0 EHADRM CC(C)c1cccnc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000443422786 1026018150 /nfs/dbraw/zinc/01/81/50/1026018150.db2.gz OCNZWHKIRIKIRW-UHFFFAOYSA-N -1 0 328.796 3.798 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C[C@H]2CCOc3ccccc32)c1 ZINC000436661873 1026022413 /nfs/dbraw/zinc/02/24/13/1026022413.db2.gz ZPLHEUVASJJMJZ-CYBMUJFWSA-N -1 0 339.391 3.880 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cnn(-c3cccc(C)c3)c2C)c1 ZINC000436681780 1026034319 /nfs/dbraw/zinc/03/43/19/1026034319.db2.gz SFINVHXCMWIEAL-UHFFFAOYSA-N -1 0 349.390 3.650 20 0 EHADRM CCCCc1nnc([N-]C(=O)c2ncsc2C(F)(F)F)s1 ZINC000277568347 1026043112 /nfs/dbraw/zinc/04/31/12/1026043112.db2.gz XVNAXQRBRQFJQY-UHFFFAOYSA-N -1 0 336.364 3.608 20 0 EHADRM CC(C)n1nccc1/C=C\c1nc(-c2ccccc2)ncc1C(=O)[O-] ZINC000443439429 1026043534 /nfs/dbraw/zinc/04/35/34/1026043534.db2.gz BQIOMEYQOFYTAF-HJWRWDBZSA-N -1 0 334.379 3.790 20 0 EHADRM CCCN(C(=O)NC[C@H](C(=O)[O-])C1CCC1)[C@H]1CCc2ccccc21 ZINC000665326521 1026047452 /nfs/dbraw/zinc/04/74/52/1026047452.db2.gz ALJLYBFHTIMDMZ-ROUUACIJSA-N -1 0 344.455 3.596 20 0 EHADRM [O-]c1c(Br)cccc1-c1nc([C@@H]2CC2(Cl)Cl)no1 ZINC000896806822 1026054035 /nfs/dbraw/zinc/05/40/35/1026054035.db2.gz PAPGQXWNEZPYIW-LURJTMIESA-N -1 0 349.999 3.866 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(C)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000665327945 1026056972 /nfs/dbraw/zinc/05/69/72/1026056972.db2.gz AFPWTKRJYVACEK-FZMZJTMJSA-N -1 0 338.835 3.543 20 0 EHADRM [O-]c1c(F)cc(-c2nc3cc(Br)ccc3[nH]2)cc1F ZINC000436736892 1026101643 /nfs/dbraw/zinc/10/16/43/1026101643.db2.gz HTQWNIVQZLUURY-UHFFFAOYSA-N -1 0 325.112 3.976 20 0 EHADRM C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000516192619 1026101841 /nfs/dbraw/zinc/10/18/41/1026101841.db2.gz GOSJOLAQJXCXHQ-VXNVDRBHSA-N -1 0 341.251 3.824 20 0 EHADRM O=C(N[C@@H](CCO)c1ccc(Cl)cc1)c1ccc([O-])c(Cl)c1 ZINC000436737276 1026105485 /nfs/dbraw/zinc/10/54/85/1026105485.db2.gz JFXVBFMVEXWLKT-AWEZNQCLSA-N -1 0 340.206 3.553 20 0 EHADRM COc1cccc2c1CCN(C(=O)c1cc3ccccc3cc1O)C2 ZINC000436730197 1026118810 /nfs/dbraw/zinc/11/88/10/1026118810.db2.gz VSASDUWHURFTSP-UHFFFAOYSA-N -1 0 333.387 3.753 20 0 EHADRM COc1cccc(C(=O)N2CC(C)(C)c3c2cccc3Cl)c1O ZINC000436730746 1026119776 /nfs/dbraw/zinc/11/97/76/1026119776.db2.gz MPBYUYRNIHMIQE-UHFFFAOYSA-N -1 0 331.799 3.992 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCC(CCCO)CC1 ZINC000436748495 1026138000 /nfs/dbraw/zinc/13/80/00/1026138000.db2.gz FWMIEHDVJBHNQT-UHFFFAOYSA-N -1 0 347.842 3.824 20 0 EHADRM O=C(c1ccc(C(F)(F)F)cc1O)N1CCc2cccc(F)c21 ZINC000436751898 1026139913 /nfs/dbraw/zinc/13/99/13/1026139913.db2.gz OHHFGNRCTNKNLW-UHFFFAOYSA-N -1 0 325.261 3.753 20 0 EHADRM CCOc1cc(NC(=O)c2cc(F)cc(Cl)c2[O-])ccc1OC ZINC000436772197 1026147199 /nfs/dbraw/zinc/14/71/99/1026147199.db2.gz KGSFPOWZSJQQCH-UHFFFAOYSA-N -1 0 339.750 3.844 20 0 EHADRM C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC000342541153 1026191756 /nfs/dbraw/zinc/19/17/56/1026191756.db2.gz FOUUAKSOAOPGMB-VIFPVBQESA-N -1 0 346.433 3.570 20 0 EHADRM COCCCOc1ccc(Nc2cc(C)cc(C(=O)[O-])c2)cc1F ZINC001211545064 1026258660 /nfs/dbraw/zinc/25/86/60/1026258660.db2.gz QRKSMKYAKPOFGU-UHFFFAOYSA-N -1 0 333.359 3.991 20 0 EHADRM COCc1ccccc1NC(=O)c1ccc(C(F)(F)F)c(O)c1 ZINC000684871953 1026262662 /nfs/dbraw/zinc/26/26/62/1026262662.db2.gz XVRZDQDLCJXFFN-UHFFFAOYSA-N -1 0 325.286 3.810 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc(C(=O)[O-])c1C ZINC000324761148 1026313176 /nfs/dbraw/zinc/31/31/76/1026313176.db2.gz YPIKDBWWFHWZOA-GFCCVEGCSA-N -1 0 331.343 3.547 20 0 EHADRM CSc1ccc([C@@H](C)NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000684881545 1026321167 /nfs/dbraw/zinc/32/11/67/1026321167.db2.gz HSLGITNCMDAGDE-CXAGYDPISA-N -1 0 343.448 3.844 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000262447762 1026329457 /nfs/dbraw/zinc/32/94/57/1026329457.db2.gz VNXHDJRCVNEEIP-UHFFFAOYSA-N -1 0 325.408 3.911 20 0 EHADRM O=c1[n-]c(CN[C@@H](c2ccccc2)c2cc(Cl)ccc2Cl)n[nH]1 ZINC000342578630 1026337437 /nfs/dbraw/zinc/33/74/37/1026337437.db2.gz XQVAIPRNNLQHBF-HNNXBMFYSA-N -1 0 349.221 3.696 20 0 EHADRM CCC(CC)(NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC000342579220 1026340309 /nfs/dbraw/zinc/34/03/09/1026340309.db2.gz XKCZUPLQTMZPIX-UHFFFAOYSA-N -1 0 327.380 3.852 20 0 EHADRM Cc1ccc(NS(=O)(=O)c2ccc(CC(C)C)cc2)cc1C(=O)[O-] ZINC000324873266 1026408266 /nfs/dbraw/zinc/40/82/66/1026408266.db2.gz CJGHEEKRZMOJNW-UHFFFAOYSA-N -1 0 347.436 3.693 20 0 EHADRM CCOc1cc(Nc2cc(C)cc(C(=O)[O-])c2)cc(C(=O)OC)c1 ZINC001211547131 1026442881 /nfs/dbraw/zinc/44/28/81/1026442881.db2.gz HACWCBGYAXTIHC-UHFFFAOYSA-N -1 0 329.352 3.622 20 0 EHADRM COc1cc(F)cc(-c2noc([N-]Cc3nc(C(C)(C)C)co3)n2)c1 ZINC000897172786 1026446891 /nfs/dbraw/zinc/44/68/91/1026446891.db2.gz WFNQJZDRJSCRRU-UHFFFAOYSA-N -1 0 346.362 3.782 20 0 EHADRM CCC(C)(C)N(C)C(=O)NCCC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000684895782 1026449720 /nfs/dbraw/zinc/44/97/20/1026449720.db2.gz IAXUOUBUYDDINN-MRXNPFEDSA-N -1 0 334.460 3.540 20 0 EHADRM CCC(C)(C)N(C)C(=O)N1CCC(C(=O)[O-])(c2cccc(C)c2)CC1 ZINC000684896435 1026455047 /nfs/dbraw/zinc/45/50/47/1026455047.db2.gz WJZADDALAKIHQT-UHFFFAOYSA-N -1 0 346.471 3.654 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc(C(=O)[O-])c1C ZINC000324902995 1026456623 /nfs/dbraw/zinc/45/66/23/1026456623.db2.gz OKNQOPIXQXLEGT-INIZCTEOSA-N -1 0 345.782 3.597 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1ccc(OC2CCC2)cc1Cl)C(=O)[O-] ZINC000431439545 1026510593 /nfs/dbraw/zinc/51/05/93/1026510593.db2.gz DAYODOYWNSIRJH-BONVTDFDSA-N -1 0 339.819 3.500 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)nc2ccccc12 ZINC000431444048 1026557393 /nfs/dbraw/zinc/55/73/93/1026557393.db2.gz IOCCCEKFTPCTCD-KRWDZBQOSA-N -1 0 348.402 3.879 20 0 EHADRM Cc1cc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)nc2ccccc12 ZINC000431444049 1026558181 /nfs/dbraw/zinc/55/81/81/1026558181.db2.gz IOCCCEKFTPCTCD-QGZVFWFLSA-N -1 0 348.402 3.879 20 0 EHADRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000511159241 1026580364 /nfs/dbraw/zinc/58/03/64/1026580364.db2.gz ZGVGTUQTSWABRA-UHFFFAOYSA-N -1 0 325.817 3.848 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c1 ZINC000614736576 1026621959 /nfs/dbraw/zinc/62/19/59/1026621959.db2.gz AZPDZCWFLSMGFQ-UHFFFAOYSA-N -1 0 349.305 3.834 20 0 EHADRM CCCn1ncc(NC(=O)c2cc(F)cc(Cl)c2[O-])c1C1CC1 ZINC000452466940 1026766795 /nfs/dbraw/zinc/76/67/95/1026766795.db2.gz PIOFWWABGYOPBS-UHFFFAOYSA-N -1 0 337.782 3.921 20 0 EHADRM C[C@@H]1Cc2cc(-c3ccc(CN=c4[n-]nc(C5CC5)o4)cc3)ccc2O1 ZINC000342732491 1026888243 /nfs/dbraw/zinc/88/82/43/1026888243.db2.gz WJAJVFWNOARLDK-CYBMUJFWSA-N -1 0 347.418 3.971 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NC2(c3cccc(Cl)c3)CCC2)C1 ZINC000647259731 1026937154 /nfs/dbraw/zinc/93/71/54/1026937154.db2.gz SGKATZQIXAXACZ-QWHCGFSZSA-N -1 0 335.831 3.726 20 0 EHADRM Cc1cc(Cl)c(NC(=O)NC[C@@H](C(=O)[O-])C(C)C)cc1Cl ZINC000128394721 1026977598 /nfs/dbraw/zinc/97/75/98/1026977598.db2.gz HJSQITKEJHWFAD-SECBINFHSA-N -1 0 333.215 3.780 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cccc3ccc(C)nc32)cc1 ZINC000531486682 1026983513 /nfs/dbraw/zinc/98/35/13/1026983513.db2.gz NHEPCEHSOCNMCT-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM CC(C)(CN=c1[n-]nc(C2CC2)o1)c1ccccc1Br ZINC000342787266 1027048449 /nfs/dbraw/zinc/04/84/49/1027048449.db2.gz WAIJWUYOYACRJY-UHFFFAOYSA-N -1 0 336.233 3.521 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)c2ccoc2C2CC2)cc1 ZINC000582727296 1027074280 /nfs/dbraw/zinc/07/42/80/1027074280.db2.gz GHSFMZSBOPXOET-UHFFFAOYSA-N -1 0 329.352 3.653 20 0 EHADRM C[C@@H](O)[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])C1 ZINC000272844152 1027144092 /nfs/dbraw/zinc/14/40/92/1027144092.db2.gz RCMRMRLCXJEYQD-TZMCWYRMSA-N -1 0 345.826 3.556 20 0 EHADRM COc1ccc(Cn2ccc([N-]c3nc(CC(C)C)ns3)n2)cc1 ZINC000302439858 1027152826 /nfs/dbraw/zinc/15/28/26/1027152826.db2.gz QEDWZAKCPWYDEW-UHFFFAOYSA-N -1 0 343.456 3.734 20 0 EHADRM Cc1cc(C(=O)N=c2[n-]nc(-c3cc(C)cc(C)c3)s2)oc1C ZINC000531753573 1027274659 /nfs/dbraw/zinc/27/46/59/1027274659.db2.gz RROMZIJPKUKQJQ-UHFFFAOYSA-N -1 0 327.409 3.706 20 0 EHADRM C[C@@H](CCC(C)(C)C)C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000273378595 1027403301 /nfs/dbraw/zinc/40/33/01/1027403301.db2.gz YMVVLLSNYHMBSS-NSHDSACASA-N -1 0 335.473 3.818 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000261863725 1027548197 /nfs/dbraw/zinc/54/81/97/1027548197.db2.gz GIBVJESGYFDVHZ-BDJLRTHQSA-N -1 0 341.860 3.534 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)CCCC(F)(F)F)s[n-]1 ZINC000472255930 1027595052 /nfs/dbraw/zinc/59/50/52/1027595052.db2.gz JGNCRRZYQRFLQL-UHFFFAOYSA-N -1 0 335.376 3.668 20 0 EHADRM Cc1cc(C)c([N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)c(C)n1 ZINC000414459702 1027617210 /nfs/dbraw/zinc/61/72/10/1027617210.db2.gz OSQCFIWZFRULPQ-UHFFFAOYSA-N -1 0 346.452 3.521 20 0 EHADRM O=C(N=c1cccn[n-]1)N[C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000434124697 1027626477 /nfs/dbraw/zinc/62/64/77/1027626477.db2.gz KIBLEGOTNIIJJS-MRXNPFEDSA-N -1 0 330.819 3.605 20 0 EHADRM O=C([O-])c1ccc(CN2CC[C@](F)(c3cc(F)cc(F)c3)C2)cc1 ZINC000414643514 1027653667 /nfs/dbraw/zinc/65/36/67/1027653667.db2.gz XNXISVLKZCOQSY-GOSISDBHSA-N -1 0 335.325 3.734 20 0 EHADRM Cc1cc(C)c(OCC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c(C)c1 ZINC000392117612 1027670164 /nfs/dbraw/zinc/67/01/64/1027670164.db2.gz TYVUUIQHTAIHPE-UHFFFAOYSA-N -1 0 327.380 3.636 20 0 EHADRM CCC(CC)(CC(=O)NC[C@H]1CCCC[C@H]1C(F)(F)F)C(=O)[O-] ZINC000487499585 1027674780 /nfs/dbraw/zinc/67/47/80/1027674780.db2.gz IDKDUROAAUZXST-VXGBXAGGSA-N -1 0 337.382 3.752 20 0 EHADRM c1ccc(-c2nc(=NC3CCC4(CCOCC4)CC3)s[n-]2)cc1 ZINC000503277837 1027700151 /nfs/dbraw/zinc/70/01/51/1027700151.db2.gz BXIGDCVZQQLPQV-UHFFFAOYSA-N -1 0 329.469 3.778 20 0 EHADRM CC(F)(F)c1cccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)c1 ZINC000444439030 1027751631 /nfs/dbraw/zinc/75/16/31/1027751631.db2.gz UNHSXFNPXCJPEV-UHFFFAOYSA-N -1 0 328.318 3.892 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)CC1(C(=O)[O-])CCC1 ZINC000262531531 1027754888 /nfs/dbraw/zinc/75/48/88/1027754888.db2.gz PRQXEZBYHZGAQP-OLZOCXBDSA-N -1 0 337.847 3.935 20 0 EHADRM CC(C)C[C@H](NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1cccs1 ZINC000422587848 1027796940 /nfs/dbraw/zinc/79/69/40/1027796940.db2.gz JBFGGJCXPDBZMP-RDBSUJKOSA-N -1 0 338.473 3.588 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(Cc2ccc(Br)c(F)c2)C1 ZINC000161959132 1027979826 /nfs/dbraw/zinc/97/98/26/1027979826.db2.gz BYHNOYLZMCJJLU-LLVKDONJSA-N -1 0 344.224 3.665 20 0 EHADRM CCCc1nc(=NC(=O)c2ccc([C@H](C)C(F)(F)F)cc2)s[n-]1 ZINC000455324251 1028038788 /nfs/dbraw/zinc/03/87/88/1028038788.db2.gz DJUUZDVYUMZKHB-VIFPVBQESA-N -1 0 343.374 3.831 20 0 EHADRM CC(C)NC(=O)c1ccc(Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC001211964975 1028267095 /nfs/dbraw/zinc/26/70/95/1028267095.db2.gz HYTCUGBDMDYAPZ-UHFFFAOYSA-N -1 0 332.787 3.920 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2ccc(N3CCC(O)CC3)cc2)c1 ZINC001211965026 1028268959 /nfs/dbraw/zinc/26/89/59/1028268959.db2.gz KAMSFRRZXHHLJP-UHFFFAOYSA-N -1 0 346.814 3.743 20 0 EHADRM CC[C@@H](C)[C@H](C)C(=O)NCc1c(C(=O)[O-])sc2ccsc21 ZINC000431506190 1028280118 /nfs/dbraw/zinc/28/01/18/1028280118.db2.gz GKVFNMUCCXHBSM-BDAKNGLRSA-N -1 0 325.455 3.959 20 0 EHADRM O=S(=O)([N-]c1cccc(OCc2cccnc2)c1)c1cccs1 ZINC000055632274 1028281251 /nfs/dbraw/zinc/28/12/51/1028281251.db2.gz FRHNBAOZZUFSOW-UHFFFAOYSA-N -1 0 346.433 3.523 20 0 EHADRM COC(=O)c1cc(Nc2cc(Cl)cc(C(=O)[O-])c2)ccc1OC ZINC001211966510 1028305365 /nfs/dbraw/zinc/30/53/65/1028305365.db2.gz CBQNHLCBTSQYQF-UHFFFAOYSA-N -1 0 335.743 3.577 20 0 EHADRM COCCc1nc(=N[C@H](CC2CCCC2)c2ccccc2)s[n-]1 ZINC000444827181 1028310776 /nfs/dbraw/zinc/31/07/76/1028310776.db2.gz OMVQNGCQSFSLLV-MRXNPFEDSA-N -1 0 331.485 3.882 20 0 EHADRM CCN1Cc2ccc(Nc3cc(Cl)cc(C(=O)[O-])c3)cc2C1=O ZINC001211966990 1028325517 /nfs/dbraw/zinc/32/55/17/1028325517.db2.gz QOLLIMMMYQXLEF-UHFFFAOYSA-N -1 0 330.771 3.758 20 0 EHADRM CCO[C@@H](CN=c1[n-]nc(Cc2ccccc2)s1)c1ccccc1 ZINC000444869630 1028358935 /nfs/dbraw/zinc/35/89/35/1028358935.db2.gz FARFTNUDNVDFIG-KRWDZBQOSA-N -1 0 339.464 3.741 20 0 EHADRM CC(C)c1scnc1[N-]S(=O)(=O)CCc1ccc(Cl)cc1 ZINC000582958962 1028371076 /nfs/dbraw/zinc/37/10/76/1028371076.db2.gz MIABLHIHLLXTGE-UHFFFAOYSA-N -1 0 344.889 3.904 20 0 EHADRM COC(=O)/C=C/c1cccc(Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC001211969650 1028438989 /nfs/dbraw/zinc/43/89/89/1028438989.db2.gz TYEWHVNAUCLJQK-AATRIKPKSA-N -1 0 331.755 3.968 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N=c2[n-]nc(-c3ccsc3)s2)nc1 ZINC000421456032 1028459172 /nfs/dbraw/zinc/45/91/72/1028459172.db2.gz YFHNDEQRVQUZOX-UHFFFAOYSA-N -1 0 344.465 3.633 20 0 EHADRM O=C(NCc1ccc(Br)s1)c1ccc([O-])c(Cl)c1 ZINC000025471084 1028466630 /nfs/dbraw/zinc/46/66/30/1028466630.db2.gz COEHXVWORDDKON-UHFFFAOYSA-N -1 0 346.633 3.800 20 0 EHADRM CC(C)(C)c1ccc(-c2ccc(C(=O)N3CCC[C@@H]3C(=O)[O-])o2)cc1 ZINC000236708355 1028575158 /nfs/dbraw/zinc/57/51/58/1028575158.db2.gz CRIKNPQDBZQOMM-OAHLLOKOSA-N -1 0 341.407 3.933 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)c1C ZINC000523737534 1028579926 /nfs/dbraw/zinc/57/99/26/1028579926.db2.gz BXNLWEDRMVEJCG-IERDGZPVSA-N -1 0 339.435 3.913 20 0 EHADRM CCC[C@@](C)(NC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000236961375 1028604711 /nfs/dbraw/zinc/60/47/11/1028604711.db2.gz YMWOKVMFWAKYQN-RFAUZJTJSA-N -1 0 348.226 3.520 20 0 EHADRM CC[C@@H](N=c1[n-]nc(C2CC2)o1)c1cc(F)cc(Br)c1 ZINC000343015181 1028643884 /nfs/dbraw/zinc/64/38/84/1028643884.db2.gz ZTFRVVDHPYHSBY-GFCCVEGCSA-N -1 0 340.196 3.834 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)CSc1ccc(F)cc1 ZINC000237589562 1028655797 /nfs/dbraw/zinc/65/57/97/1028655797.db2.gz PPPVZCOWAFUIDP-MRXNPFEDSA-N -1 0 347.411 3.558 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)c2cccc3ccccc32)sc1C(=O)[O-] ZINC000237552826 1028656476 /nfs/dbraw/zinc/65/64/76/1028656476.db2.gz SOYBGROHFGAXOY-LLVKDONJSA-N -1 0 340.404 3.794 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)c2csc3ccccc23)sc1C(=O)[O-] ZINC000237592999 1028656880 /nfs/dbraw/zinc/65/68/80/1028656880.db2.gz WUMPDJBBYCURCL-SECBINFHSA-N -1 0 346.433 3.855 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1cc2c(s1)CCCC2 ZINC000237665853 1028659892 /nfs/dbraw/zinc/65/98/92/1028659892.db2.gz VVAGZTFIKDUBJM-HNNXBMFYSA-N -1 0 343.448 3.881 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc(F)c(Cl)c2)Cc2ccccc2C1 ZINC000237916620 1028671157 /nfs/dbraw/zinc/67/11/57/1028671157.db2.gz HXQQZBCWHIAHMP-UHFFFAOYSA-N -1 0 347.773 3.678 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc3[nH]c(C4CCC4)nc3c2)cc1 ZINC000238025180 1028672387 /nfs/dbraw/zinc/67/23/87/1028672387.db2.gz RHRRNARNIPEZGO-UHFFFAOYSA-N -1 0 335.363 3.781 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2cccc(OCCF)c2)CCCCC1 ZINC000238090921 1028675948 /nfs/dbraw/zinc/67/59/48/1028675948.db2.gz HLOLKONTXZJSAZ-UHFFFAOYSA-N -1 0 337.391 3.789 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1ccc2c3c(cccc31)CC2)c1ccccc1 ZINC000431522256 1028761189 /nfs/dbraw/zinc/76/11/89/1028761189.db2.gz UCBLOMRBUCMJTH-IBGZPJMESA-N -1 0 345.398 3.537 20 0 EHADRM CCOCc1ccc([N-]S(=O)(=O)c2c(F)cc(C)cc2F)cc1 ZINC000424066340 1028771647 /nfs/dbraw/zinc/77/16/47/1028771647.db2.gz SFTMTFIRRODEQL-UHFFFAOYSA-N -1 0 341.379 3.611 20 0 EHADRM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(C(=O)[O-])s1 ZINC000237266571 1028791684 /nfs/dbraw/zinc/79/16/84/1028791684.db2.gz QDHUSXCEFTYHHE-UHFFFAOYSA-N -1 0 343.326 3.737 20 0 EHADRM [O-]c1ccc(-c2nc(-c3ccc(OC(F)F)cn3)no2)cc1Cl ZINC000445512451 1028870488 /nfs/dbraw/zinc/87/04/88/1028870488.db2.gz MXOOMSDLHIAOPL-UHFFFAOYSA-N -1 0 339.685 3.759 20 0 EHADRM CCCc1nc(=NC(=O)c2ccc(CCC(F)(F)F)cc2)s[n-]1 ZINC000503023878 1028979411 /nfs/dbraw/zinc/97/94/11/1028979411.db2.gz WBYWIBHFFSBGDG-UHFFFAOYSA-N -1 0 343.374 3.660 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N[C@@H](c2ccc(C)cc2)C2CC2)s1 ZINC000503051071 1028996874 /nfs/dbraw/zinc/99/68/74/1028996874.db2.gz FOLUFTBPTUCFFR-INIZCTEOSA-N -1 0 344.484 3.884 20 0 EHADRM Cc1cc(C)c(Nc2cccc(OC(F)F)c2)c(S(=O)(=O)[O-])c1 ZINC001212062932 1028997578 /nfs/dbraw/zinc/99/75/78/1028997578.db2.gz ZYTPEPOMYDPHIC-UHFFFAOYSA-N -1 0 343.351 3.895 20 0 EHADRM Cc1ncc([N-]S(=O)(=O)c2ccccc2C(C)C)c(C2CC2)n1 ZINC000532895081 1029017134 /nfs/dbraw/zinc/01/71/34/1029017134.db2.gz DNGIKQVADBWENM-UHFFFAOYSA-N -1 0 331.441 3.587 20 0 EHADRM CC(C)(C)CN(Cc1ccccc1)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424394531 1029028688 /nfs/dbraw/zinc/02/86/88/1029028688.db2.gz DIGVLMDADVLXPK-UHFFFAOYSA-N -1 0 334.460 3.745 20 0 EHADRM Cc1cc(C(=O)N=c2[n-]nc(C(C)C)s2)cc(C)c1OC(F)F ZINC000503127020 1029068589 /nfs/dbraw/zinc/06/85/89/1029068589.db2.gz PPGYKNOHOWXBIA-UHFFFAOYSA-N -1 0 341.383 3.554 20 0 EHADRM [O-]c1cc(Cl)ccc1-c1nc(-c2nnc(-c3ccccc3)o2)no1 ZINC000445993599 1029312773 /nfs/dbraw/zinc/31/27/73/1029312773.db2.gz DZIQEMBAPJQGHX-UHFFFAOYSA-N -1 0 340.726 3.813 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)Cc2csc(C(C)(C)C)n2)c1 ZINC000272147189 1029333676 /nfs/dbraw/zinc/33/36/76/1029333676.db2.gz VKKBTYNFWXQNDR-UHFFFAOYSA-N -1 0 332.425 3.530 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccc(CC(F)(F)F)cc1 ZINC000524640529 1029377736 /nfs/dbraw/zinc/37/77/36/1029377736.db2.gz MZEUGTKCUDUNQK-UHFFFAOYSA-N -1 0 335.372 3.962 20 0 EHADRM COCCOc1cc(C)ccc1NC(=O)c1cc(SC)ccc1O ZINC000666806488 1029414301 /nfs/dbraw/zinc/41/43/01/1029414301.db2.gz ANAKACCYDGZYFP-UHFFFAOYSA-N -1 0 347.436 3.700 20 0 EHADRM O=C(N=c1[n-]nc(C(F)F)s1)N1CCC[C@H]1CCC1CCCC1 ZINC000533181266 1029419036 /nfs/dbraw/zinc/41/90/36/1029419036.db2.gz CVKVWTZDBZJBNQ-NSHDSACASA-N -1 0 344.431 3.864 20 0 EHADRM CCCc1nc(=NC(=O)N[C@H](C)c2ccc(SC)cc2)s[n-]1 ZINC000572288423 1029446980 /nfs/dbraw/zinc/44/69/80/1029446980.db2.gz RLTRERNBNIRJNZ-SNVBAGLBSA-N -1 0 336.486 3.517 20 0 EHADRM Cc1nc(CCC(=O)NOCCC(F)(F)F)oc1-c1ccccc1 ZINC000162793761 1029454759 /nfs/dbraw/zinc/45/47/59/1029454759.db2.gz BGDOVOVVNPXOBV-UHFFFAOYSA-N -1 0 342.317 3.583 20 0 EHADRM CCc1oc(C(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1C(=O)[O-] ZINC000261710635 1029486953 /nfs/dbraw/zinc/48/69/53/1029486953.db2.gz VHHCLNQSCMKYRI-CQSZACIVSA-N -1 0 331.343 3.657 20 0 EHADRM CCc1oc(C(=O)N2CCCC[C@@H]2c2nc(C)cs2)cc1C(=O)[O-] ZINC000261708781 1029487070 /nfs/dbraw/zinc/48/70/70/1029487070.db2.gz VANAHFZQMJYEKH-GFCCVEGCSA-N -1 0 348.424 3.673 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N(CC1CCC1)CC(F)(F)F ZINC000272631469 1029542923 /nfs/dbraw/zinc/54/29/23/1029542923.db2.gz VCITVBDOEGHWAA-UHFFFAOYSA-N -1 0 341.251 3.614 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)C(F)(F)F ZINC000446348114 1029589906 /nfs/dbraw/zinc/58/99/06/1029589906.db2.gz HZGCNZHWKBAFIB-KBUNVGBDSA-N -1 0 327.705 3.892 20 0 EHADRM Cc1cc(NC(=O)CC2(C(=O)[O-])CCC2)ccc1OCC(F)(F)F ZINC000262515063 1029602054 /nfs/dbraw/zinc/60/20/54/1029602054.db2.gz MSZCETINVXEGGF-UHFFFAOYSA-N -1 0 345.317 3.520 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)N=c2ccc(C3CC3)n[n-]2)cc1C ZINC000533307136 1029609613 /nfs/dbraw/zinc/60/96/13/1029609613.db2.gz ZADJQARYCALYDR-GOSISDBHSA-N -1 0 336.439 3.762 20 0 EHADRM C[C@@H](CC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC000262700169 1029625250 /nfs/dbraw/zinc/62/52/50/1029625250.db2.gz HOXQDORKFGLXRO-SUHUHFCYSA-N -1 0 343.345 3.569 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)c1c[nH]cc1-c1ccccc1 ZINC000262273027 1029626341 /nfs/dbraw/zinc/62/63/41/1029626341.db2.gz YJNQBTCDHYXCQM-UHFFFAOYSA-N -1 0 328.412 3.837 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)[C@H]2CC[C@H](C(C)C)CC2)sc1C(=O)[O-] ZINC000262713079 1029626796 /nfs/dbraw/zinc/62/67/96/1029626796.db2.gz CBOSLYOIJSZWSW-JHJVBQTASA-N -1 0 338.473 3.789 20 0 EHADRM CCC[C@@H](Sc1n[n-]c(=NC2CCCCC2)s1)C(=O)OCC ZINC000524987615 1029637642 /nfs/dbraw/zinc/63/76/42/1029637642.db2.gz QVAFUUWGYNYJNI-GFCCVEGCSA-N -1 0 343.518 3.529 20 0 EHADRM COc1cc(NC(=O)C[C@@H]2CCc3ccccc3C2)ccc1C(=O)[O-] ZINC000262827163 1029641033 /nfs/dbraw/zinc/64/10/33/1029641033.db2.gz AXJOOBSYDXIFFJ-CYBMUJFWSA-N -1 0 339.391 3.527 20 0 EHADRM C[C@]1(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)CCCC[C@H]1C(=O)[O-] ZINC000262831247 1029641720 /nfs/dbraw/zinc/64/17/20/1029641720.db2.gz QIAXAWJVILFAKK-AHXJXLJNSA-N -1 0 335.831 3.593 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000262882341 1029648156 /nfs/dbraw/zinc/64/81/56/1029648156.db2.gz GVYGPSXAJSVNAO-PSOPSSQASA-N -1 0 347.411 3.674 20 0 EHADRM CC(C)(CCNC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000262925440 1029651445 /nfs/dbraw/zinc/65/14/45/1029651445.db2.gz GPMAXXVGWDPQIL-QWHCGFSZSA-N -1 0 344.238 3.714 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1ccc(-c2ccccn2)cc1 ZINC000262968684 1029653040 /nfs/dbraw/zinc/65/30/40/1029653040.db2.gz ABEQDNLYBYKJAO-UHFFFAOYSA-N -1 0 327.384 3.514 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)c2cccnc2OCC(C)C)s1 ZINC000343184080 1029661623 /nfs/dbraw/zinc/66/16/23/1029661623.db2.gz XGXZEFFLRJUZBF-UHFFFAOYSA-N -1 0 348.472 3.546 20 0 EHADRM CCC[C@H](CNC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000263169396 1029671850 /nfs/dbraw/zinc/67/18/50/1029671850.db2.gz KLRWNOYZGNXFSH-BIGNPOOSSA-N -1 0 344.238 3.714 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2cc(C(F)F)ccc2Cl)C1 ZINC000263197590 1029673045 /nfs/dbraw/zinc/67/30/45/1029673045.db2.gz WSQNHKVYPHJULF-PSASIEDQSA-N -1 0 346.761 3.852 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)Cc2ccc3c(c2)CCCC3)cc1F ZINC000263212794 1029674816 /nfs/dbraw/zinc/67/48/16/1029674816.db2.gz NQXNGRZCQADRDA-UHFFFAOYSA-N -1 0 341.382 3.513 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000263220400 1029676043 /nfs/dbraw/zinc/67/60/43/1029676043.db2.gz YQCRNAVUZOTXEM-LSDHHAIUSA-N -1 0 333.428 3.581 20 0 EHADRM CCC[C@H](CNC(=O)C[C@H](C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000263251932 1029680149 /nfs/dbraw/zinc/68/01/49/1029680149.db2.gz VHLKZPJTXZPJGM-TZMCWYRMSA-N -1 0 325.836 3.526 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(c2ccnc3c(Br)cccc32)C1 ZINC000263279731 1029683834 /nfs/dbraw/zinc/68/38/34/1029683834.db2.gz XDYWZACVOCGCDS-WDEREUQCSA-N -1 0 349.228 3.544 20 0 EHADRM Cc1nc([C@H](C)NC(=O)c2ccc(Cl)c(C)c2)sc1C(=O)[O-] ZINC000263285723 1029683859 /nfs/dbraw/zinc/68/38/59/1029683859.db2.gz POJGTJLEIIBGJM-VIFPVBQESA-N -1 0 338.816 3.603 20 0 EHADRM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000263323283 1029688094 /nfs/dbraw/zinc/68/80/94/1029688094.db2.gz OCPBVTYKXTWIAR-XMTFNYHQSA-N -1 0 329.440 3.672 20 0 EHADRM CCc1c(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cnn1CC(C)C ZINC000263328889 1029688866 /nfs/dbraw/zinc/68/88/66/1029688866.db2.gz PMGSDDWGWQXEOS-ZDUSSCGKSA-N -1 0 343.427 3.542 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)c1cccc(Oc2ccccc2)c1 ZINC000263335345 1029689075 /nfs/dbraw/zinc/68/90/75/1029689075.db2.gz MHYHCONZTJESAK-RDTXWAMCSA-N -1 0 339.391 3.804 20 0 EHADRM Cc1c2cccc(Cl)c2oc1C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000263325035 1029689248 /nfs/dbraw/zinc/68/92/48/1029689248.db2.gz ONLJOJBUDDKHOU-KRWDZBQOSA-N -1 0 335.787 3.722 20 0 EHADRM Cc1nc(C(=O)N2CC(C)(C)c3c2cccc3Cl)ccc1C(=O)[O-] ZINC000263350203 1029690036 /nfs/dbraw/zinc/69/00/36/1029690036.db2.gz PHEOSRNFSWRVNZ-UHFFFAOYSA-N -1 0 344.798 3.680 20 0 EHADRM Cc1ccc([C@@H](C)N(C)C(=O)NCc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000263354497 1029690164 /nfs/dbraw/zinc/69/01/64/1029690164.db2.gz IRMWTDRGDXLUEZ-OAHLLOKOSA-N -1 0 340.423 3.904 20 0 EHADRM C[C@H](C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000263394035 1029692891 /nfs/dbraw/zinc/69/28/91/1029692891.db2.gz ZDYWEXGYSNLDMX-JFGNBEQYSA-N -1 0 344.238 3.666 20 0 EHADRM C[C@@H](NC(=O)C1(Cc2cccc(Cl)c2)CCCC1)[C@@H](C)C(=O)[O-] ZINC000263410280 1029694774 /nfs/dbraw/zinc/69/47/74/1029694774.db2.gz GVCMDJKAKZBLHK-CHWSQXEVSA-N -1 0 337.847 3.668 20 0 EHADRM CC(C)N(CC1CCC1)C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263441083 1029697326 /nfs/dbraw/zinc/69/73/26/1029697326.db2.gz DLZXQDBTRIVMJY-GOSISDBHSA-N -1 0 346.471 3.683 20 0 EHADRM C[C@@H](C(=O)[O-])[N@H+](C)Cc1ccc(-c2cccc(Br)c2)o1 ZINC000263449697 1029699669 /nfs/dbraw/zinc/69/96/69/1029699669.db2.gz ZBMFHKCRCXPLBO-JTQLQIEISA-N -1 0 338.201 3.614 20 0 EHADRM C[C@@H](NC(=O)CC(C)(C)C(=O)[O-])c1cc(F)c(Cl)cc1Cl ZINC000262279107 1029701269 /nfs/dbraw/zinc/70/12/69/1029701269.db2.gz VHXGPHXHBOUAHW-SSDOTTSWSA-N -1 0 336.190 3.811 20 0 EHADRM C[C@@H]1CN(c2ccccc2NCc2ccc(C(=O)[O-])cc2)C[C@H](C)O1 ZINC000263482035 1029702862 /nfs/dbraw/zinc/70/28/62/1029702862.db2.gz OEQBBUZMWLKZDI-GASCZTMLSA-N -1 0 340.423 3.611 20 0 EHADRM CCN(C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1)[C@H](C)C(C)C ZINC000263494643 1029704592 /nfs/dbraw/zinc/70/45/92/1029704592.db2.gz SKPDVDGFWHDLQL-WBVHZDCISA-N -1 0 334.460 3.539 20 0 EHADRM CC(C)C[C@@H](Nc1nn2cc(-c3ccc(F)cc3)nc2s1)C(=O)[O-] ZINC000263503273 1029705575 /nfs/dbraw/zinc/70/55/75/1029705575.db2.gz LHDIXFBUTHIYEW-GFCCVEGCSA-N -1 0 348.403 3.508 20 0 EHADRM CCOc1ccc(NC(=O)N([C@H](C)C(=O)[O-])C2CCC2)cc1Cl ZINC000583359658 1029708554 /nfs/dbraw/zinc/70/85/54/1029708554.db2.gz CPGOKYCVPSAWAR-SNVBAGLBSA-N -1 0 340.807 3.598 20 0 EHADRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000446637333 1029733319 /nfs/dbraw/zinc/73/33/19/1029733319.db2.gz JVAXSGYAQFDXAG-UHFFFAOYSA-N -1 0 343.857 3.871 20 0 EHADRM COc1ccc(-c2n[n-]c(=N[C@H]3CCOC4(CCCC4)C3)s2)cc1 ZINC000583374722 1029734834 /nfs/dbraw/zinc/73/48/34/1029734834.db2.gz VRBQSKLVMYZXGZ-AWEZNQCLSA-N -1 0 345.468 3.539 20 0 EHADRM COC(=O)c1cccc2[nH]c(NC(=O)c3ccc(Cl)cc3C)nc21 ZINC000162533440 1029743415 /nfs/dbraw/zinc/74/34/15/1029743415.db2.gz JPZYNUJRFJGIHL-UHFFFAOYSA-N -1 0 343.770 3.564 20 0 EHADRM CCC[C@@]1(COC)CCCN1C(=O)CCCc1ccc(O)c(F)c1 ZINC000446696045 1029760078 /nfs/dbraw/zinc/76/00/78/1029760078.db2.gz JCZPFTVRDFTQTO-IBGZPJMESA-N -1 0 337.435 3.662 20 0 EHADRM Cc1[nH]nc(C(=O)N2CCCCC[C@@H]2Cc2ccccc2Cl)c1[O-] ZINC000647290249 1029765642 /nfs/dbraw/zinc/76/56/42/1029765642.db2.gz SBASHTPDTDIWMJ-CQSZACIVSA-N -1 0 347.846 3.705 20 0 EHADRM CC(=O)N(C)c1ccc(NC(=O)c2ccc3ccccc3c2O)cc1 ZINC000121679046 1029787622 /nfs/dbraw/zinc/78/76/22/1029787622.db2.gz PSPNRFNZOKCWLR-UHFFFAOYSA-N -1 0 334.375 3.780 20 0 EHADRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1nccc2sccc21 ZINC000446759430 1029792569 /nfs/dbraw/zinc/79/25/69/1029792569.db2.gz BURMVJWKAGXXNI-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM CC[C@H](c1n[n-]c(=NC(=O)N2CC[C@H](CC)C2)s1)c1ccccc1 ZINC000446844417 1029824746 /nfs/dbraw/zinc/82/47/46/1029824746.db2.gz GYRZKNDKIIVUJP-ZFWWWQNUSA-N -1 0 344.484 3.766 20 0 EHADRM Cc1ccc(CN=c2[n-]nc([C@H]3Cc4ccccc4O3)o2)cc1Cl ZINC000446963404 1029866385 /nfs/dbraw/zinc/86/63/85/1029866385.db2.gz XVNHKGBHLKLVHW-MRXNPFEDSA-N -1 0 341.798 3.742 20 0 EHADRM CC(C)OCCCSc1n[n-]c(=Nc2cccc(F)c2)s1 ZINC000525519837 1029879635 /nfs/dbraw/zinc/87/96/35/1029879635.db2.gz VBDVRRNSYFJSNC-UHFFFAOYSA-N -1 0 327.450 3.750 20 0 EHADRM Cc1ncc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)s1 ZINC000435493072 1029965796 /nfs/dbraw/zinc/96/57/96/1029965796.db2.gz YQURTNOVBJPGKN-UHFFFAOYSA-N -1 0 341.216 3.698 20 0 EHADRM O=C(C=Cc1ccsc1)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000042301104 1030027644 /nfs/dbraw/zinc/02/76/44/1030027644.db2.gz NPUKUFLEEOSTLX-SNAWJCMRSA-N -1 0 327.814 3.760 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(C)c3ncccc23)c(F)cc1F ZINC000481855655 1030050510 /nfs/dbraw/zinc/05/05/10/1030050510.db2.gz MKBFWUJCVQNKAI-UHFFFAOYSA-N -1 0 348.374 3.931 20 0 EHADRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C)c(F)c1 ZINC000447263533 1030051817 /nfs/dbraw/zinc/05/18/17/1030051817.db2.gz JOIAFUUNIYIISH-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N3CC[C@@H](C)[C@H]3C)s2)c1 ZINC000481944248 1030123991 /nfs/dbraw/zinc/12/39/91/1030123991.db2.gz KBHYESXVRYPDJG-CHWSQXEVSA-N -1 0 330.457 3.506 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1cc(C2CCCCCC2)[nH]n1 ZINC000126860776 1030171799 /nfs/dbraw/zinc/17/17/99/1030171799.db2.gz YOFHEJYSAQLSGG-UHFFFAOYSA-N -1 0 349.456 3.657 20 0 EHADRM O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1sccc1F ZINC000550809174 1030221696 /nfs/dbraw/zinc/22/16/96/1030221696.db2.gz FREVQGODYZRAIT-UHFFFAOYSA-N -1 0 337.376 3.721 20 0 EHADRM CC[C@H](C)[C@H](C)C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000431534098 1030238373 /nfs/dbraw/zinc/23/83/73/1030238373.db2.gz WGEISYUSFMAEPE-MPGHIAIKSA-N -1 0 341.451 3.882 20 0 EHADRM O=C(Nc1ccc(NC(=O)c2c([O-])cccc2F)cc1)c1ccco1 ZINC000121516616 1030284970 /nfs/dbraw/zinc/28/49/70/1030284970.db2.gz RNKXVYGBRDGBKQ-UHFFFAOYSA-N -1 0 340.310 3.629 20 0 EHADRM C[C@@H](O)CCCNC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000447629277 1030369281 /nfs/dbraw/zinc/36/92/81/1030369281.db2.gz MVPFALKQLITDHO-GFCCVEGCSA-N -1 0 333.815 3.603 20 0 EHADRM CO[C@H]1CCOc2c([N-]S(=O)(=O)c3cc(C)ccc3C)cccc21 ZINC000447778873 1030477717 /nfs/dbraw/zinc/47/77/17/1030477717.db2.gz RGOXIRULJKZAJX-INIZCTEOSA-N -1 0 347.436 3.574 20 0 EHADRM CSc1cc(C(=O)N=c2cc(-c3ccc(C)o3)[n-][nH]2)ccc1F ZINC000447808378 1030509257 /nfs/dbraw/zinc/50/92/57/1030509257.db2.gz WSXHHFKYWNFVCO-UHFFFAOYSA-N -1 0 331.372 3.513 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])NC(=O)C[C@@H](C)C2CCCCC2)c1 ZINC000532260454 1030510046 /nfs/dbraw/zinc/51/00/46/1030510046.db2.gz KVPVBLZVYYLPTQ-RDTXWAMCSA-N -1 0 347.455 3.934 20 0 EHADRM CCSc1n[n-]c(=NCc2ccc(OCC(F)(F)F)cc2)s1 ZINC000447956986 1030627723 /nfs/dbraw/zinc/62/77/23/1030627723.db2.gz XSSMNYARPFPZEP-UHFFFAOYSA-N -1 0 349.403 3.625 20 0 EHADRM CC(C)c1ccc(-c2nc(CC(=O)[N-]OCC(F)F)cs2)cc1 ZINC000760145759 1030678170 /nfs/dbraw/zinc/67/81/70/1030678170.db2.gz WQZFCDVQKJPZOF-UHFFFAOYSA-N -1 0 340.395 3.789 20 0 EHADRM Cc1ccccc1CN(C)C(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000262603934 1030716950 /nfs/dbraw/zinc/71/69/50/1030716950.db2.gz KGNUJXRSXYLESD-AWEZNQCLSA-N -1 0 343.448 3.832 20 0 EHADRM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1cc(Cl)ccc1O ZINC000349934812 1030721819 /nfs/dbraw/zinc/72/18/19/1030721819.db2.gz IFYNIOQQRJQYBG-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1coc(Br)c1 ZINC000345609054 1030753357 /nfs/dbraw/zinc/75/33/57/1030753357.db2.gz OFCLFPZBXMDASW-UHFFFAOYSA-N -1 0 334.528 3.793 20 0 EHADRM C[C@H](NC(=O)N=c1ccc(C2CC2)n[n-]1)c1ccc2c(c1)CCCC2 ZINC000448151186 1030775558 /nfs/dbraw/zinc/77/55/58/1030775558.db2.gz KXNVBNIOLOEHPE-ZDUSSCGKSA-N -1 0 336.439 3.537 20 0 EHADRM CSc1nc(=NC(=O)N[C@@H](c2ccccc2)C(C)(C)C)s[n-]1 ZINC000476669964 1030789849 /nfs/dbraw/zinc/78/98/49/1030789849.db2.gz YLPKZYHDACYDGJ-NSHDSACASA-N -1 0 336.486 3.591 20 0 EHADRM CC(C)Oc1ccccc1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000262762413 1030802814 /nfs/dbraw/zinc/80/28/14/1030802814.db2.gz KOAIWDSQZPOBCK-AWEZNQCLSA-N -1 0 341.407 3.989 20 0 EHADRM CCC(=O)Nc1ccc(C)c(NC(=O)c2ccc(Cl)cc2[O-])c1 ZINC000122996625 1030839423 /nfs/dbraw/zinc/83/94/23/1030839423.db2.gz HRUMSSWAFTVNSH-UHFFFAOYSA-N -1 0 332.787 3.955 20 0 EHADRM CC(C)(C(=O)N=c1cc(C(F)(F)F)[n-][nH]1)c1cccc(Cl)c1F ZINC000483169781 1031022269 /nfs/dbraw/zinc/02/22/69/1031022269.db2.gz QHWKSLADCROGCI-UHFFFAOYSA-N -1 0 349.715 3.559 20 0 EHADRM CC(C)C[C@H](NC(=O)c1ccc2oc(=O)nc-2[n-]1)c1cccs1 ZINC000666960897 1031030119 /nfs/dbraw/zinc/03/01/19/1031030119.db2.gz UVGIFNUCKVWVPP-NSHDSACASA-N -1 0 331.397 3.507 20 0 EHADRM C[C@@H]1CCC[C@@H](C)N1C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000668218748 1031031412 /nfs/dbraw/zinc/03/14/12/1031031412.db2.gz UHMMKXYWOVLLDL-VXGBXAGGSA-N -1 0 333.819 3.634 20 0 EHADRM CCCOc1ccc(NC(=O)N[C@@](C)(CC)C(=O)[O-])cc1Cl ZINC000583909776 1031102950 /nfs/dbraw/zinc/10/29/50/1031102950.db2.gz RMLKPFZTRCCZAG-HNNXBMFYSA-N -1 0 328.796 3.504 20 0 EHADRM O=C(CCCCCc1cccs1)N=c1cc(C(F)(F)F)[n-][nH]1 ZINC000448516735 1031165527 /nfs/dbraw/zinc/16/55/27/1031165527.db2.gz LAXCQYGCCXXBQD-UHFFFAOYSA-N -1 0 331.363 3.654 20 0 EHADRM Cc1cc(Br)cnc1N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000650775983 1031231473 /nfs/dbraw/zinc/23/14/73/1031231473.db2.gz JJFIMOCWQIWOMD-KGLIPLIRSA-N -1 0 347.212 3.878 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)[C@H]1CCOc2ccccc21 ZINC000158393456 1031305505 /nfs/dbraw/zinc/30/55/05/1031305505.db2.gz OEDCIGSVZYPZGE-LBPRGKRZSA-N -1 0 326.377 3.621 20 0 EHADRM CCN1CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)c2ccccc21 ZINC000194688936 1031356392 /nfs/dbraw/zinc/35/63/92/1031356392.db2.gz QWDKKPDLDORMSX-UHFFFAOYSA-N -1 0 334.778 3.671 20 0 EHADRM CSc1cc(C)c(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)o1 ZINC000668283756 1031391600 /nfs/dbraw/zinc/39/16/00/1031391600.db2.gz XBBKBCVEGHRYCG-NSHDSACASA-N -1 0 333.409 3.825 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)CC3CCC(C(=O)[O-])CC3)C2)cc1 ZINC000668300665 1031418676 /nfs/dbraw/zinc/41/86/76/1031418676.db2.gz SGLZVYCCWPTWAP-JVGQSUMCSA-N -1 0 343.467 3.981 20 0 EHADRM CCC1(CC)CCN(C(=O)N=c2[n-]nc(/C=C/c3ccco3)s2)C1 ZINC000484050010 1031442303 /nfs/dbraw/zinc/44/23/03/1031442303.db2.gz UVBSIPJEUYVTGF-BQYQJAHWSA-N -1 0 346.456 3.767 20 0 EHADRM CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000484089988 1031449399 /nfs/dbraw/zinc/44/93/99/1031449399.db2.gz XKTSPXZMIDWWAZ-UHFFFAOYSA-N -1 0 345.342 3.692 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NC2CCC(c3ccc(F)cc3)CC2)C1 ZINC000668314351 1031462030 /nfs/dbraw/zinc/46/20/30/1031462030.db2.gz NDXWVFNYAGTSEO-BNQMIIOLSA-N -1 0 347.430 3.859 20 0 EHADRM O=C([O-])C1CCC(CC(=O)NCc2ccc(C3CCC3)cc2)CC1 ZINC000668317887 1031474234 /nfs/dbraw/zinc/47/42/34/1031474234.db2.gz BECLWTTUWMPUQZ-UHFFFAOYSA-N -1 0 329.440 3.851 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CC[C@H](C)[C@H]3C)n2)cc1 ZINC000177063723 1031530171 /nfs/dbraw/zinc/53/01/71/1031530171.db2.gz MLFNWBUSDMNMBU-UONOGXRCSA-N -1 0 327.428 3.572 20 0 EHADRM O=S(=O)(Nc1cccc(-n2ccnc2)c1)c1cccc2ccccc21 ZINC000083955192 1031539166 /nfs/dbraw/zinc/53/91/66/1031539166.db2.gz QZVKBNIQWNFETO-UHFFFAOYSA-N -1 0 349.415 3.826 20 0 EHADRM CC(C)CCc1nnc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)o1 ZINC000194874586 1031590593 /nfs/dbraw/zinc/59/05/93/1031590593.db2.gz KBKYMJFKACNZAV-UHFFFAOYSA-N -1 0 337.445 3.582 20 0 EHADRM CC(C)(C)c1coc(CN[C@@H](CCSc2ccccc2)C(=O)[O-])n1 ZINC000904015736 1031603020 /nfs/dbraw/zinc/60/30/20/1031603020.db2.gz VWGKPQPGGWOEJZ-AWEZNQCLSA-N -1 0 348.468 3.697 20 0 EHADRM CC(C)c1c[nH]c(CN[C@@]2(C(=O)[O-])C[C@@H](C(C)C)c3ccccc32)n1 ZINC000904010925 1031627785 /nfs/dbraw/zinc/62/77/85/1031627785.db2.gz SUMJSTKWZRJSKD-YWZLYKJASA-N -1 0 341.455 3.746 20 0 EHADRM CCc1nocc1C[NH2+][C@H](CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000904010729 1031629231 /nfs/dbraw/zinc/62/92/31/1031629231.db2.gz NKQLFMSFIVMGKY-CQSZACIVSA-N -1 0 342.317 3.561 20 0 EHADRM Cc1cnc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)s1 ZINC000178179228 1031638089 /nfs/dbraw/zinc/63/80/89/1031638089.db2.gz CEIOZJLNIACJBD-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM O=C([O-])C(F)(F)CNCc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000904032249 1031638874 /nfs/dbraw/zinc/63/88/74/1031638874.db2.gz KHLVHSTYKCRCET-UHFFFAOYSA-N -1 0 349.255 3.775 20 0 EHADRM CC(C)c1ccc(C(=O)N(C)c2ccc(OCC(=O)[O-])cc2)s1 ZINC000455898431 1031648004 /nfs/dbraw/zinc/64/80/04/1031648004.db2.gz XLITVPCYDFGTBJ-UHFFFAOYSA-N -1 0 333.409 3.612 20 0 EHADRM Cc1cccc(C)c1C[C@H](NCc1csc(C(C)(C)C)n1)C(=O)[O-] ZINC000904070715 1031698455 /nfs/dbraw/zinc/69/84/55/1031698455.db2.gz YMNWXPUQLLGWSJ-INIZCTEOSA-N -1 0 346.496 3.843 20 0 EHADRM Cc1nc(-c2cccc(N[C@H]3C[C@@H](NC(=O)[O-])C34CCC4)c2)oc1C ZINC000904199346 1031844667 /nfs/dbraw/zinc/84/46/67/1031844667.db2.gz HTORQMAAJLWBRT-JKSUJKDBSA-N -1 0 341.411 3.949 20 0 EHADRM O=C([O-])N[C@@H]1C[C@H](Nc2cccc(OCC(F)(F)F)c2)C12CCC2 ZINC000904199375 1031844975 /nfs/dbraw/zinc/84/49/75/1031844975.db2.gz IIJJYIVELKVAAH-QWHCGFSZSA-N -1 0 344.333 3.618 20 0 EHADRM Cc1nc(-c2ccc(N[C@H]3C[C@@H](NC(=O)[O-])C34CCC4)cc2)oc1C ZINC000904201018 1031848913 /nfs/dbraw/zinc/84/89/13/1031848913.db2.gz YNZXJXZFYAJFFR-JKSUJKDBSA-N -1 0 341.411 3.949 20 0 EHADRM O=C(C[C@H]1CCCN1C(=O)c1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000180144042 1031863055 /nfs/dbraw/zinc/86/30/55/1031863055.db2.gz CONXAULVMRCCBD-OAHLLOKOSA-N -1 0 343.810 3.923 20 0 EHADRM O=C(CCc1ccccc1O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000537755298 1031891292 /nfs/dbraw/zinc/89/12/92/1031891292.db2.gz LFAKNNAITBTGTO-UHFFFAOYSA-N -1 0 326.179 3.976 20 0 EHADRM CC[C@H](CC(F)(F)F)C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000448945544 1031928350 /nfs/dbraw/zinc/92/83/50/1031928350.db2.gz ITEOROHMZHAUPK-SSDOTTSWSA-N -1 0 335.376 3.606 20 0 EHADRM Cc1cc(C(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])c(Cl)cc1F ZINC000448994072 1032000181 /nfs/dbraw/zinc/00/01/81/1032000181.db2.gz OGKVPOVVJVUCBA-YGRLFVJLSA-N -1 0 327.783 3.551 20 0 EHADRM C[C@@H](CC1CCCC1)C(=O)NC[C@@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC000448997417 1032003916 /nfs/dbraw/zinc/00/39/16/1032003916.db2.gz UPOGZDTXJXPBFP-ORAYPTAESA-N -1 0 335.419 3.501 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-] ZINC000448987516 1032019476 /nfs/dbraw/zinc/01/94/76/1032019476.db2.gz BMDGLQVESKVOJU-IMJJTQAJSA-N -1 0 335.469 3.565 20 0 EHADRM COc1ccc(CCCCC(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])cc1 ZINC000448987517 1032019612 /nfs/dbraw/zinc/01/96/12/1032019612.db2.gz BMUNDAXOZXDWCT-MSOLQXFVSA-N -1 0 347.455 3.558 20 0 EHADRM CC[C@@H](c1ccncc1)[N@H+](C)Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000459392801 1032034927 /nfs/dbraw/zinc/03/49/27/1032034927.db2.gz QGMTYZGKJIAWPS-SFHVURJKSA-N -1 0 334.423 3.827 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(C(=O)NC[C@H](C)CC(=O)[O-])cc1F ZINC000537485035 1033296932 /nfs/dbraw/zinc/29/69/32/1033296932.db2.gz CXBHXBQNIASCJU-LLVKDONJSA-N -1 0 347.361 3.781 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1cc(Br)c(F)cc1N ZINC001211624252 1033306707 /nfs/dbraw/zinc/30/67/07/1033306707.db2.gz AHGFOPIAEQZMJL-UHFFFAOYSA-N -1 0 339.164 3.921 20 0 EHADRM O=C(N=c1nc(-c2ccsc2)[n-]s1)c1cc2cccc(F)c2o1 ZINC000607826418 1033318684 /nfs/dbraw/zinc/31/86/84/1033318684.db2.gz UEZVOAXDKPWEMQ-UHFFFAOYSA-N -1 0 345.380 3.826 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)n[nH]1 ZINC000033893884 1033331090 /nfs/dbraw/zinc/33/10/90/1033331090.db2.gz YQMPSFXBUWVMAM-UHFFFAOYSA-N -1 0 348.255 3.815 20 0 EHADRM O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1c(F)ccc(O)c1F ZINC000685457510 1033347214 /nfs/dbraw/zinc/34/72/14/1033347214.db2.gz QDPZLABPBPMTKB-UTCJRWHESA-N -1 0 349.318 3.538 20 0 EHADRM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1c(F)ccc(O)c1F ZINC000685457512 1033348078 /nfs/dbraw/zinc/34/80/78/1033348078.db2.gz QDPZLABPBPMTKB-ZZXKWVIFSA-N -1 0 349.318 3.538 20 0 EHADRM Cc1sc([N-]S(=O)(=O)Cc2ccccc2F)nc1C(C)C ZINC000574704540 1033362872 /nfs/dbraw/zinc/36/28/72/1033362872.db2.gz WVZRKSZPKMSPOZ-UHFFFAOYSA-N -1 0 328.434 3.656 20 0 EHADRM O=C([O-])c1ccc(CC(=O)NC2(Cc3ccccc3)CCCC2)cc1 ZINC000263321018 1033363223 /nfs/dbraw/zinc/36/32/23/1033363223.db2.gz IXEUMHRGKCPOTH-UHFFFAOYSA-N -1 0 337.419 3.599 20 0 EHADRM CC(C)CCc1n[n-]c(=NCc2ccc(OC(F)F)c(Cl)c2)o1 ZINC000537489521 1033370642 /nfs/dbraw/zinc/37/06/42/1033370642.db2.gz QAIJUSDLLSRIQK-UHFFFAOYSA-N -1 0 345.777 3.947 20 0 EHADRM Cc1ccc(C(=O)N[C@H](C)[C@H](C)C(=O)[O-])c(Sc2ccccc2)c1 ZINC000263413409 1033384205 /nfs/dbraw/zinc/38/42/05/1033384205.db2.gz HJXXXGVMZKPPHR-UONOGXRCSA-N -1 0 343.448 3.985 20 0 EHADRM COc1ccc(C(=O)N=c2nc(-c3ccccc3)[n-]s2)c(Cl)c1 ZINC000594465853 1033408047 /nfs/dbraw/zinc/40/80/47/1033408047.db2.gz FGFRRZPBNAUDDA-UHFFFAOYSA-N -1 0 345.811 3.541 20 0 EHADRM O=C([N-]c1cc(F)c(F)cc1F)c1noc(-c2cccc(F)c2)n1 ZINC000608013070 1033438056 /nfs/dbraw/zinc/43/80/56/1033438056.db2.gz UKMHAJVSDAOUJG-UHFFFAOYSA-N -1 0 337.232 3.545 20 0 EHADRM O=C(Cc1ccn(-c2ccc(F)cc2)n1)Nc1cccc(Cl)c1[O-] ZINC000608364607 1033636721 /nfs/dbraw/zinc/63/67/21/1033636721.db2.gz NCRGCKJZRXOKQA-UHFFFAOYSA-N -1 0 345.761 3.552 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000608340526 1033645521 /nfs/dbraw/zinc/64/55/21/1033645521.db2.gz NDEMEYZHKQQRQO-GJZGRUSLSA-N -1 0 347.386 3.753 20 0 EHADRM CSc1cc(C(=O)N=c2cc(C)c(C)n[n-]2)c(Cl)cc1Cl ZINC000472345905 1033670475 /nfs/dbraw/zinc/67/04/75/1033670475.db2.gz DJWKZQJKBSDCCZ-UHFFFAOYSA-N -1 0 342.251 3.796 20 0 EHADRM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)c1cccc(Br)c1[O-] ZINC000608451099 1033709807 /nfs/dbraw/zinc/70/98/07/1033709807.db2.gz BYGNDMNINOKHCV-PBHICJAKSA-N -1 0 346.224 3.615 20 0 EHADRM O=S(=O)([N-][C@@H](c1ccccc1)C(F)F)c1cccc(Cl)c1F ZINC000431619578 1033711981 /nfs/dbraw/zinc/71/19/81/1033711981.db2.gz IRKMCSIBSBVSES-ZDUSSCGKSA-N -1 0 349.761 3.764 20 0 EHADRM Cc1ccc(C[C@H]2CCCN2C(=O)c2c([O-])cc(F)cc2F)cc1 ZINC000603551067 1033744258 /nfs/dbraw/zinc/74/42/58/1033744258.db2.gz JCZOIJZCNAVDMC-OAHLLOKOSA-N -1 0 331.362 3.826 20 0 EHADRM COc1c(C)ccc(NS(=O)(=O)c2cc(C)c(F)c(C)c2)c1C ZINC000460411039 1033753036 /nfs/dbraw/zinc/75/30/36/1033753036.db2.gz HVNUCEOANKCXCG-UHFFFAOYSA-N -1 0 337.416 3.869 20 0 EHADRM O=C(N=c1[n-]nc(Cc2ccccc2)s1)Nc1cccc2[nH]ccc21 ZINC000603559897 1033768690 /nfs/dbraw/zinc/76/86/90/1033768690.db2.gz ISNZRWRIHGQGFW-UHFFFAOYSA-N -1 0 349.419 3.676 20 0 EHADRM CC[C@H](CC(F)(F)F)C(=O)N=c1[nH][n-]c(-c2ccc(C)o2)c1C ZINC000450174287 1033852721 /nfs/dbraw/zinc/85/27/21/1033852721.db2.gz CPJIDXDBUOWPSY-SNVBAGLBSA-N -1 0 329.322 3.626 20 0 EHADRM C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(c2nc(C(=O)[O-])co2)C1 ZINC000575185233 1033884419 /nfs/dbraw/zinc/88/44/19/1033884419.db2.gz RKUBOMKECJOUBQ-TVQRCGJNSA-N -1 0 340.301 3.979 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccc(Cl)cc2)cc1C ZINC000046929765 1033889564 /nfs/dbraw/zinc/88/95/64/1033889564.db2.gz LVTQSBMNCCZCQA-UHFFFAOYSA-N -1 0 337.828 3.845 20 0 EHADRM O=C(c1nn(-c2ccc(F)cc2)cc1[O-])N1CCC2(C1)CCCCC2 ZINC000084405556 1033912431 /nfs/dbraw/zinc/91/24/31/1033912431.db2.gz GYHNZTMNRUOKQT-UHFFFAOYSA-N -1 0 343.402 3.513 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)nc2)s1 ZINC000055576822 1033965824 /nfs/dbraw/zinc/96/58/24/1033965824.db2.gz KHBXFTOWNSLUEF-UHFFFAOYSA-N -1 0 345.449 3.568 20 0 EHADRM CCOC(=O)c1csc(=N[C@H](C)c2cccc(OC(C)C)c2)[n-]1 ZINC000450257671 1033977000 /nfs/dbraw/zinc/97/70/00/1033977000.db2.gz WXLYUYBZLIIRNV-GFCCVEGCSA-N -1 0 334.441 3.702 20 0 EHADRM CCOc1cc(C(=O)[N-]c2ccccc2SCC(F)(F)F)on1 ZINC000648119758 1033981085 /nfs/dbraw/zinc/98/10/85/1033981085.db2.gz ACZOBVNACMAGJE-UHFFFAOYSA-N -1 0 346.330 3.980 20 0 EHADRM Cc1c(C(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C)sc2cccc(F)c12 ZINC000322894472 1034045828 /nfs/dbraw/zinc/04/58/28/1034045828.db2.gz DYJTYMLQLIYOQC-MWLCHTKSSA-N -1 0 335.400 3.674 20 0 EHADRM Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)cc1C ZINC000599926353 1034257271 /nfs/dbraw/zinc/25/72/71/1034257271.db2.gz SZFXSYMHFWXHSK-UHFFFAOYSA-N -1 0 343.408 3.620 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1C(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000326345310 1034267098 /nfs/dbraw/zinc/26/70/98/1034267098.db2.gz BTGJKKKJQKOKNW-LZWOXQAQSA-N -1 0 347.411 3.594 20 0 EHADRM Cc1cc(=NC(=O)c2sc3cc(F)ccc3c2Cl)[n-]nc1C ZINC000604233155 1034285180 /nfs/dbraw/zinc/28/51/80/1034285180.db2.gz ZLMQASWJUOWBJD-UHFFFAOYSA-N -1 0 335.791 3.775 20 0 EHADRM Cc1cc2occ(CC(=O)N=c3cc(C)c(C)n[n-]3)c2cc1C(C)C ZINC000604233151 1034285584 /nfs/dbraw/zinc/28/55/84/1034285584.db2.gz YXCAQEACUSROIT-UHFFFAOYSA-N -1 0 337.423 3.875 20 0 EHADRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccccc2OC)c1C1CC1 ZINC000534234931 1034304248 /nfs/dbraw/zinc/30/42/48/1034304248.db2.gz JTHRXJMTJLHRFL-LBPRGKRZSA-N -1 0 349.456 3.541 20 0 EHADRM CC(C)(C)Oc1ccccc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000604305881 1034320393 /nfs/dbraw/zinc/32/03/93/1034320393.db2.gz IKLHJIQKOVLDIL-UHFFFAOYSA-N -1 0 341.379 3.943 20 0 EHADRM CCN(C(=O)Nc1cccc(C(F)(F)F)c1C)C(C)(C)C(=O)[O-] ZINC000900328959 1034326755 /nfs/dbraw/zinc/32/67/55/1034326755.db2.gz YVNOGAYUNVXNIE-UHFFFAOYSA-N -1 0 332.322 3.731 20 0 EHADRM CCC(C)(C)N(C)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000132560899 1034368737 /nfs/dbraw/zinc/36/87/37/1034368737.db2.gz MKAZBWVYWJACAB-UHFFFAOYSA-N -1 0 343.221 3.800 20 0 EHADRM CC(C)[C@H](NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-])c1ccccc1Cl ZINC000604413621 1034370974 /nfs/dbraw/zinc/37/09/74/1034370974.db2.gz UPHRCWLAFJTUBQ-ZENOOKHLSA-N -1 0 335.831 3.820 20 0 EHADRM CC1(c2nc(=NC(=O)c3c(Cl)cc(F)cc3Cl)s[n-]2)CC1 ZINC000529696316 1034440911 /nfs/dbraw/zinc/44/09/11/1034440911.db2.gz BXEZKELWMGHDBS-UHFFFAOYSA-N -1 0 346.214 3.710 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000450529985 1034488808 /nfs/dbraw/zinc/48/88/08/1034488808.db2.gz BIXZOVJOEYCGAM-MAUKXSAKSA-N -1 0 337.419 3.722 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)N=c1nc(C(C)(C)C)[n-]s1)C1CC1 ZINC000604800332 1034509088 /nfs/dbraw/zinc/50/90/88/1034509088.db2.gz NOHOISURSRNICR-AWEZNQCLSA-N -1 0 344.484 3.839 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)N=c1nc(-c2cccnc2)[n-]s1 ZINC000534440806 1034545508 /nfs/dbraw/zinc/54/55/08/1034545508.db2.gz NRHKFKCBIQLUEH-ZDUSSCGKSA-N -1 0 330.457 3.567 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc(-c3cncnc3)cc2)CCCCC1 ZINC000605164996 1034642511 /nfs/dbraw/zinc/64/25/11/1034642511.db2.gz BCTULPFTBHAASO-UHFFFAOYSA-N -1 0 339.395 3.507 20 0 EHADRM O=S(=O)([N-]c1nc2ccsc2s1)c1cccc(Cl)c1F ZINC000605257819 1034671475 /nfs/dbraw/zinc/67/14/75/1034671475.db2.gz UWFUWINUKAVSNJ-UHFFFAOYSA-N -1 0 348.833 3.951 20 0 EHADRM Cn1cc(-c2cc(F)cc(COC3CCCCC3)c2)c(C(=O)[O-])n1 ZINC000583452195 1034705784 /nfs/dbraw/zinc/70/57/84/1034705784.db2.gz WLROVVXANWZUNB-UHFFFAOYSA-N -1 0 332.375 3.774 20 0 EHADRM CN(C(=O)Nc1ccc(Cl)c(F)c1)C1(C(=O)[O-])CCCCC1 ZINC000390543353 1034758825 /nfs/dbraw/zinc/75/88/25/1034758825.db2.gz NHDMSTXZHWXAIN-UHFFFAOYSA-N -1 0 328.771 3.730 20 0 EHADRM O=C(COCc1nc2ccccc2s1)Nc1cccc(Cl)c1[O-] ZINC000605888019 1034839401 /nfs/dbraw/zinc/83/94/01/1034839401.db2.gz CJRSMYOMLBQCBB-UHFFFAOYSA-N -1 0 348.811 3.811 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-])c1cccs1 ZINC000601983019 1034846553 /nfs/dbraw/zinc/84/65/53/1034846553.db2.gz FEDNDFRXTSTQAM-UTUOFQBUSA-N -1 0 329.487 3.546 20 0 EHADRM CCCCOc1ccc(OC)cc1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000262687007 1034923152 /nfs/dbraw/zinc/92/31/52/1034923152.db2.gz YTAZEZBXKPNCGS-UHFFFAOYSA-N -1 0 343.379 3.825 20 0 EHADRM O=S(=O)([N-]c1cccc(N2CCCC2)c1)c1sccc1Cl ZINC000450968161 1034993917 /nfs/dbraw/zinc/99/39/17/1034993917.db2.gz JGHFQDWNQNEQPG-UHFFFAOYSA-N -1 0 342.873 3.803 20 0 EHADRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cccc2c1ccn2C ZINC000548935210 1035005974 /nfs/dbraw/zinc/00/59/74/1035005974.db2.gz IJHJIYWXYHTWLU-UHFFFAOYSA-N -1 0 344.436 3.605 20 0 EHADRM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1ccc(Br)cc1F ZINC000530175494 1035048136 /nfs/dbraw/zinc/04/81/36/1035048136.db2.gz HKDUFQPCDWBFOQ-NXEZZACHSA-N -1 0 344.224 3.662 20 0 EHADRM CO[C@@H](C)c1nc(C)c(C(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)s1 ZINC000431664755 1035131537 /nfs/dbraw/zinc/13/15/37/1035131537.db2.gz BTYYBSPAOQMKIE-NSHDSACASA-N -1 0 348.424 3.726 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000431665671 1035139139 /nfs/dbraw/zinc/13/91/39/1035139139.db2.gz QBYNWUAUFJQANN-GFCCVEGCSA-N -1 0 347.798 3.621 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)NCCCC2CC2)s1)c1ccccc1 ZINC000584496033 1035170029 /nfs/dbraw/zinc/17/00/29/1035170029.db2.gz JYRTUYJZADQLNZ-OAHLLOKOSA-N -1 0 344.484 3.814 20 0 EHADRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccnn1C1CCCCC1 ZINC000066248304 1035327035 /nfs/dbraw/zinc/32/70/35/1035327035.db2.gz MGTIBCOVAXBOED-UHFFFAOYSA-N -1 0 337.420 3.637 20 0 EHADRM Cn1ncc(C2CC2)c1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000613184803 1035440602 /nfs/dbraw/zinc/44/06/02/1035440602.db2.gz ZQOBKYWQYWUJLB-UHFFFAOYSA-N -1 0 326.183 3.562 20 0 EHADRM CCc1ccc(CSc2n[n-]c(=NCc3ccccc3)s2)nc1 ZINC000549012171 1035480900 /nfs/dbraw/zinc/48/09/00/1035480900.db2.gz GQQQPAXDKTUHSP-UHFFFAOYSA-N -1 0 342.493 3.822 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NCC1(Cc2cccc(Cl)c2)CC1 ZINC000414096324 1035483938 /nfs/dbraw/zinc/48/39/38/1035483938.db2.gz IMAXZDKMKUFASA-UHFFFAOYSA-N -1 0 337.847 3.670 20 0 EHADRM CCC(CC)(CC(=O)NCCc1cc2ccccc2s1)C(=O)[O-] ZINC000414099690 1035494028 /nfs/dbraw/zinc/49/40/28/1035494028.db2.gz REDLGXXMQJWLQT-UHFFFAOYSA-N -1 0 333.453 3.841 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2cc(C)ccn2)cc1Cl ZINC000185612486 1035503030 /nfs/dbraw/zinc/50/30/30/1035503030.db2.gz OANBMURBDCTVRI-UHFFFAOYSA-N -1 0 328.846 3.566 20 0 EHADRM CCc1oc(C(=O)N(C)[C@@H]2CCCc3ccccc32)cc1C(=O)[O-] ZINC000571541894 1035551413 /nfs/dbraw/zinc/55/14/13/1035551413.db2.gz OXYIQLLIKVHCAO-OAHLLOKOSA-N -1 0 327.380 3.690 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2csc(-c3ccncc3)n2)cc1C ZINC000185965029 1035579955 /nfs/dbraw/zinc/57/99/55/1035579955.db2.gz RGKGMZZBXASCNW-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM C[C@H](CC(=O)NC1(CC(=O)[O-])CCCCC1)Cc1cccc(F)c1 ZINC000540704670 1035584782 /nfs/dbraw/zinc/58/47/82/1035584782.db2.gz IGGFVHQSBQFTHD-AWEZNQCLSA-N -1 0 335.419 3.688 20 0 EHADRM COc1ccc(CCCC(=O)N[C@H](CC(=O)[O-])C2CCCCC2)cc1 ZINC000540704495 1035585687 /nfs/dbraw/zinc/58/56/87/1035585687.db2.gz DNNASYWURDKBHA-GOSISDBHSA-N -1 0 347.455 3.558 20 0 EHADRM Cc1cc(NC(=O)c2cc(=O)c3ccccc3[n-]2)ccc1N1CCCC1 ZINC000055562813 1035610143 /nfs/dbraw/zinc/61/01/43/1035610143.db2.gz CREMEHJSOJADMD-UHFFFAOYSA-N -1 0 347.418 3.689 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000571758247 1035621241 /nfs/dbraw/zinc/62/12/41/1035621241.db2.gz JNYKQAGZCAKXJB-CQSZACIVSA-N -1 0 332.322 3.556 20 0 EHADRM CCCCNc1ccc(C(F)(F)F)cc1NC(=O)c1cc(=O)[nH][n-]1 ZINC000669239542 1035645458 /nfs/dbraw/zinc/64/54/58/1035645458.db2.gz HXNRJSRDBVTOIO-UHFFFAOYSA-N -1 0 342.321 3.598 20 0 EHADRM CCOc1cc(C(=O)Nc2cnc(C(C)(C)C)nc2)cc(Cl)c1O ZINC000186700923 1035691861 /nfs/dbraw/zinc/69/18/61/1035691861.db2.gz YTTHBANHADOBKK-UHFFFAOYSA-N -1 0 349.818 3.784 20 0 EHADRM O=C(/C=C\c1cscn1)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000492360125 1035701097 /nfs/dbraw/zinc/70/10/97/1035701097.db2.gz RKPCNSXMLPYILE-RQOWECAXSA-N -1 0 330.390 3.708 20 0 EHADRM C[C@H](NC(=O)c1cc(F)c([O-])c(F)c1)c1ncc(-c2ccccc2)o1 ZINC000186827996 1035713462 /nfs/dbraw/zinc/71/34/62/1035713462.db2.gz GSVWKPSPBWAODQ-JTQLQIEISA-N -1 0 344.317 3.816 20 0 EHADRM CCCOc1ccc(/C=C/c2cc(C(=O)[O-])ncn2)cc1OCC ZINC000534878999 1035736267 /nfs/dbraw/zinc/73/62/67/1035736267.db2.gz OPAVYUKYQQHTIW-FNORWQNLSA-N -1 0 328.368 3.533 20 0 EHADRM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000318605121 1035745867 /nfs/dbraw/zinc/74/58/67/1035745867.db2.gz CJWGKYAHIBHCHA-HJIKLVIJSA-N -1 0 343.210 3.710 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)cc1 ZINC000174250510 1035898905 /nfs/dbraw/zinc/89/89/05/1035898905.db2.gz CDPNZELGWYJCDU-UHFFFAOYSA-N -1 0 331.315 3.520 20 0 EHADRM CC(F)(F)CCCS(=O)(=O)[N-][C@@H](c1ccccc1)C(F)(F)F ZINC000913932186 1035904026 /nfs/dbraw/zinc/90/40/26/1035904026.db2.gz OZIAMTQPCBGFSH-NSHDSACASA-N -1 0 345.333 3.645 20 0 EHADRM CCCc1ccccc1[N-]S(=O)(=O)c1c(F)cc(OC)cc1F ZINC000588628151 1035921234 /nfs/dbraw/zinc/92/12/34/1035921234.db2.gz XQOFJMPWWCDLNB-UHFFFAOYSA-N -1 0 341.379 3.727 20 0 EHADRM C[C@@H](CC(=O)N(C)[C@@H](C)CC(=O)[O-])c1ccccc1C(F)(F)F ZINC000572017281 1035949116 /nfs/dbraw/zinc/94/91/16/1035949116.db2.gz XGNHLZGDXKUQDS-QWRGUYRKSA-N -1 0 331.334 3.521 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)Nc3cccc4ccccc43)cc2=O)cc1 ZINC000174463003 1035960945 /nfs/dbraw/zinc/96/09/45/1035960945.db2.gz HHHRBSJEILDEQZ-UHFFFAOYSA-N -1 0 343.386 3.880 20 0 EHADRM CC(C)Cn1ncc(C(=O)Nc2ccc(F)c(F)c2[O-])c1C(F)F ZINC000457303377 1035962167 /nfs/dbraw/zinc/96/21/67/1035962167.db2.gz YAPLJSMHGZDRSR-UHFFFAOYSA-N -1 0 345.296 3.713 20 0 EHADRM C[C@@H]1CN(C(=O)N=c2ccc(-c3ccccc3)n[n-]2)[C@@H]2CCCC[C@H]21 ZINC000541092531 1035977984 /nfs/dbraw/zinc/97/79/84/1035977984.db2.gz NEEPACDTMYRFPA-UWWQBHOKSA-N -1 0 336.439 3.608 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000541213492 1036092510 /nfs/dbraw/zinc/09/25/10/1036092510.db2.gz WOEFRWZBZIJRSB-IFXJQAMLSA-N -1 0 349.858 3.622 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000263112186 1036095734 /nfs/dbraw/zinc/09/57/34/1036095734.db2.gz DOMSLKOKUISWOL-YPMHNXCESA-N -1 0 347.411 3.880 20 0 EHADRM Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)CCc1ccccc1 ZINC000541307127 1036178331 /nfs/dbraw/zinc/17/83/31/1036178331.db2.gz WARJQDJKVXMQET-UHFFFAOYSA-N -1 0 347.484 3.681 20 0 EHADRM Cc1cnc([C@@H](C)NC(=O)c2c([O-])cc(Cl)cc2Cl)s1 ZINC000175271675 1036297394 /nfs/dbraw/zinc/29/73/94/1036297394.db2.gz JDZJHANAKOKRTG-SSDOTTSWSA-N -1 0 331.224 3.955 20 0 EHADRM Cc1cccc(-c2cncc(C(=O)N[C@@](C)(CC(=O)[O-])C(C)C)c2)c1 ZINC000263137567 1036318679 /nfs/dbraw/zinc/31/86/79/1036318679.db2.gz YDTQSGCRSRKVGS-FQEVSTJZSA-N -1 0 340.423 3.676 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N2C[C@H](C)CC[C@H]2C)s1 ZINC000572573560 1036413916 /nfs/dbraw/zinc/41/39/16/1036413916.db2.gz FDDDHGFUMFUEQI-ZYHUDNBSSA-N -1 0 348.447 3.727 20 0 EHADRM O=C(COc1ccc(Cl)cc1Cl)Nc1cc(F)ccc1O ZINC000535419818 1036460124 /nfs/dbraw/zinc/46/01/24/1036460124.db2.gz RLDNCUNDZAFDQQ-UHFFFAOYSA-N -1 0 330.142 3.856 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)on1 ZINC000175653093 1036477930 /nfs/dbraw/zinc/47/79/30/1036477930.db2.gz DTTBWPWSJFNBKU-UHFFFAOYSA-N -1 0 330.409 3.926 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)[N-]c2cnc(C(F)(F)F)cc2C)c1 ZINC000685902505 1036506491 /nfs/dbraw/zinc/50/64/91/1036506491.db2.gz WUTBZIZWUHSQGP-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM O=S(=O)([N-]c1cccc2c1OCCC2)c1cc(F)ccc1Cl ZINC000464554714 1036549692 /nfs/dbraw/zinc/54/96/92/1036549692.db2.gz UCZBPXIDHHATBP-UHFFFAOYSA-N -1 0 341.791 3.605 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(-c2ccoc2)c1 ZINC000249318648 1036592738 /nfs/dbraw/zinc/59/27/38/1036592738.db2.gz QEHCXBKOKJHWAN-OLMNPRSZSA-N -1 0 339.391 3.805 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(c2ccc3cccc(Br)c3n2)C1 ZINC000263169887 1036602574 /nfs/dbraw/zinc/60/25/74/1036602574.db2.gz JFNYZHNZLXWEIG-CMPLNLGQSA-N -1 0 349.228 3.544 20 0 EHADRM COc1ccc(C[C@@H](C)C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cc1 ZINC000263174604 1036603810 /nfs/dbraw/zinc/60/38/10/1036603810.db2.gz GKBQONCKDBRTMJ-KGLIPLIRSA-N -1 0 341.407 3.701 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000013531007 1036604797 /nfs/dbraw/zinc/60/47/97/1036604797.db2.gz BLYADOBCRQBWBY-LBPRGKRZSA-N -1 0 332.787 3.847 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000263187133 1036610039 /nfs/dbraw/zinc/61/00/39/1036610039.db2.gz WYOMOVKXQGKHAN-QGZVFWFLSA-N -1 0 349.427 3.607 20 0 EHADRM CCC[C@H](CNC(=O)C[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000263190911 1036619618 /nfs/dbraw/zinc/61/96/18/1036619618.db2.gz MMLOAZGNRSQTHE-NWDGAFQWSA-N -1 0 345.361 3.816 20 0 EHADRM CC[C@H]1CCN(C(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)C1 ZINC000541798436 1036654287 /nfs/dbraw/zinc/65/42/87/1036654287.db2.gz KIGOPRATGUYXNK-JTQLQIEISA-N -1 0 336.848 3.544 20 0 EHADRM O=S(=O)([N-]c1ccc2nc(C3CC3)oc2c1)c1cccc(F)c1 ZINC000175972598 1036654574 /nfs/dbraw/zinc/65/45/74/1036654574.db2.gz SCWLTXPNHVDXHC-UHFFFAOYSA-N -1 0 332.356 3.645 20 0 EHADRM C[C@@H]1C[C@H]1[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000263325401 1036776735 /nfs/dbraw/zinc/77/67/35/1036776735.db2.gz OOPKKWGZXJNFSZ-MIGXYKPQSA-N -1 0 335.831 3.654 20 0 EHADRM CCn1nc([N-]S(=O)(=O)c2c(C)cccc2Cl)cc1C1CC1 ZINC000666302878 1036780636 /nfs/dbraw/zinc/78/06/36/1036780636.db2.gz QZKGQGRNSYRHHZ-UHFFFAOYSA-N -1 0 339.848 3.543 20 0 EHADRM O=C([O-])c1ccc(CC(=O)Nc2ccc(OC3CCC3)c(F)c2)cc1 ZINC000263320356 1036784778 /nfs/dbraw/zinc/78/47/78/1036784778.db2.gz ISHNEYGXNPSNDA-UHFFFAOYSA-N -1 0 343.354 3.636 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000263333318 1036794580 /nfs/dbraw/zinc/79/45/80/1036794580.db2.gz QICYJQZGHLLVGG-OSRDXIQISA-N -1 0 337.847 3.791 20 0 EHADRM COc1ccc(OC(C)C)c(NC(=O)c2cc(C)cc(C(=O)[O-])c2)c1 ZINC000263349437 1036798278 /nfs/dbraw/zinc/79/82/78/1036798278.db2.gz VBWZAHVWAHLQCO-UHFFFAOYSA-N -1 0 343.379 3.741 20 0 EHADRM O=S(=O)([N-]c1cccc(Cl)n1)c1ccc(Cl)c(Cl)c1 ZINC000162278767 1036837246 /nfs/dbraw/zinc/83/72/46/1036837246.db2.gz UKAVRNJTHXXTMI-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM Cc1cc(Oc2ccc(NS(=O)(=O)c3cccc(C)c3)cc2)n[nH]1 ZINC000177500572 1036858586 /nfs/dbraw/zinc/85/85/86/1036858586.db2.gz QHFCQPFRFUQHMD-UHFFFAOYSA-N -1 0 343.408 3.620 20 0 EHADRM CC(C)CC1(CNC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)CCC1 ZINC000464830966 1036868527 /nfs/dbraw/zinc/86/85/27/1036868527.db2.gz OTIJGBVWDBKYPH-LJQANCHMSA-N -1 0 331.456 3.752 20 0 EHADRM CC(=O)N(c1ccc(NCc2cccc(C(=O)[O-])c2)cc1)[C@H]1C[C@H]1C ZINC000263405936 1036870404 /nfs/dbraw/zinc/87/04/04/1036870404.db2.gz JSBMNPHFIGMAHC-YJYMSZOUSA-N -1 0 338.407 3.758 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000263412857 1036879301 /nfs/dbraw/zinc/87/93/01/1036879301.db2.gz HILVCHLVXFIDDH-ZJUUUORDSA-N -1 0 344.238 3.641 20 0 EHADRM CCC(CC)(C(=O)N[C@H](C)[C@H](C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000263410798 1036880316 /nfs/dbraw/zinc/88/03/16/1036880316.db2.gz GZMFIXKPJBAFCS-NWDGAFQWSA-N -1 0 325.836 3.623 20 0 EHADRM Cc1nn(C)c(Cl)c1/C=C/C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000493199879 1036898206 /nfs/dbraw/zinc/89/82/06/1036898206.db2.gz DFNJZVAZFZCBGQ-ONEGZZNKSA-N -1 0 344.173 3.532 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)c2cc(C)n(C(CC)CC)n2)s1 ZINC000539548919 1036901809 /nfs/dbraw/zinc/90/18/09/1036901809.db2.gz WYUVLCONFQMDJK-UHFFFAOYSA-N -1 0 349.504 3.982 20 0 EHADRM COCc1cccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)ccc2O)c1 ZINC000176413835 1036914662 /nfs/dbraw/zinc/91/46/62/1036914662.db2.gz RSOHMBSUWLYUNA-UHFFFAOYSA-N -1 0 349.452 3.637 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@@H](CC(=O)[O-])C1CCCCC1 ZINC000539608143 1036968986 /nfs/dbraw/zinc/96/89/86/1036968986.db2.gz SGMCZLGYVQMRJX-KFWWJZLASA-N -1 0 335.469 3.700 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCc1cccc(Cl)c1)C1CCCCC1 ZINC000539605024 1036969531 /nfs/dbraw/zinc/96/95/31/1036969531.db2.gz KIUDNQSGCJVPCK-MRXNPFEDSA-N -1 0 337.847 3.812 20 0 EHADRM Cc1nc([C@H](C)NC(=O)CC[C@@H](C)c2ccccc2)sc1C(=O)[O-] ZINC000263524042 1037038981 /nfs/dbraw/zinc/03/89/81/1037038981.db2.gz ITUGPAPNSYDEDC-YPMHNXCESA-N -1 0 346.452 3.911 20 0 EHADRM C[C@H](CNC(=O)c1ccc(-c2ccc(Cl)cc2)s1)CC(=O)[O-] ZINC000539687760 1037072459 /nfs/dbraw/zinc/07/24/59/1037072459.db2.gz AMYXWBITSDXICN-JTQLQIEISA-N -1 0 337.828 3.909 20 0 EHADRM C[C@@H]1C[C@@H](CCN=c2[n-]nc(-c3ccccc3Cl)s2)CCO1 ZINC000546887848 1037084308 /nfs/dbraw/zinc/08/43/08/1037084308.db2.gz YPKHHQRXRMLEFJ-NEPJUHHUSA-N -1 0 337.876 3.898 20 0 EHADRM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc2s1 ZINC000007505252 1037088307 /nfs/dbraw/zinc/08/83/07/1037088307.db2.gz GRMIZHROGGMYOC-UHFFFAOYSA-N -1 0 340.376 3.684 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 ZINC000539748467 1037149078 /nfs/dbraw/zinc/14/90/78/1037149078.db2.gz OBWXQFKPZOKSOL-LLVKDONJSA-N -1 0 333.771 3.654 20 0 EHADRM CC[C@H](C)n1ncc2c1nc(/C=C/c1cccnc1C)cc2C(=O)[O-] ZINC000573005357 1037151916 /nfs/dbraw/zinc/15/19/16/1037151916.db2.gz MVHSMSMKRCBCBW-GUOLPTJISA-N -1 0 336.395 3.974 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)NC/C=C/c1ccccc1)C1CCCCC1 ZINC000539772888 1037174240 /nfs/dbraw/zinc/17/42/40/1037174240.db2.gz QMFPSADJDMJMQQ-OJLWIZQOSA-N -1 0 329.440 3.877 20 0 EHADRM CC(C)(C)n1cnc(=NC(=O)c2ccc(-c3ccc(F)cc3)s2)[n-]1 ZINC000542246039 1037209228 /nfs/dbraw/zinc/20/92/28/1037209228.db2.gz CLGZIJSWARFHIS-UHFFFAOYSA-N -1 0 344.415 3.575 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000761417863 1037274948 /nfs/dbraw/zinc/27/49/48/1037274948.db2.gz DABNAQMFRQAWJY-HNNXBMFYSA-N -1 0 337.419 3.933 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC2(CCC2)C1 ZINC000659121354 1037300278 /nfs/dbraw/zinc/30/02/78/1037300278.db2.gz WWIUKKLXNJBDNZ-UHFFFAOYSA-N -1 0 343.301 3.559 20 0 EHADRM O=C(Nc1cccc(N2CCCC2=O)c1)c1cc(F)cc(Cl)c1[O-] ZINC000176992445 1037316778 /nfs/dbraw/zinc/31/67/78/1037316778.db2.gz KHTHZMCSJVSRFT-UHFFFAOYSA-N -1 0 348.761 3.564 20 0 EHADRM O=C([O-])Cn1ccc2cc(NC(=O)[C@@H]3CCCC4(CC4)C3)ccc21 ZINC000659134952 1037342015 /nfs/dbraw/zinc/34/20/15/1037342015.db2.gz ZFVIWIJUOSOJCJ-CQSZACIVSA-N -1 0 326.396 3.635 20 0 EHADRM CC(C)C[C@@H](C(=O)NCC(C)(C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000659135498 1037343392 /nfs/dbraw/zinc/34/33/92/1037343392.db2.gz FYXAZDGOKMRARJ-CQSZACIVSA-N -1 0 325.836 3.697 20 0 EHADRM CCC1(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)CCC(F)(F)CC1 ZINC000659137853 1037349369 /nfs/dbraw/zinc/34/93/69/1037349369.db2.gz YYDCRSUUYXUTNB-AWEZNQCLSA-N -1 0 339.382 3.577 20 0 EHADRM CC(C)Cc1cc(C(=O)Nc2cc(Cl)c([O-])cc2F)cc(=O)[nH]1 ZINC000557948916 1037367319 /nfs/dbraw/zinc/36/73/19/1037367319.db2.gz XGENSCWBHOYEGU-UHFFFAOYSA-N -1 0 338.766 3.736 20 0 EHADRM Cc1c(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)cccc1C(F)(F)F ZINC000659147603 1037370380 /nfs/dbraw/zinc/37/03/80/1037370380.db2.gz UCFZOQVRGMOWBQ-UHFFFAOYSA-N -1 0 341.329 3.987 20 0 EHADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1ccc(C2CC2)cc1 ZINC000659145611 1037378634 /nfs/dbraw/zinc/37/86/34/1037378634.db2.gz HGZGEEKMTKAVOH-LJQANCHMSA-N -1 0 337.419 3.770 20 0 EHADRM CCN(Cc1c[nH]c2ccccc12)C(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC000659152678 1037378847 /nfs/dbraw/zinc/37/88/47/1037378847.db2.gz CUYUHHGMUQHZHS-UHFFFAOYSA-N -1 0 340.423 3.552 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc(Cl)cc3ccccc32)C1 ZINC000659160198 1037383844 /nfs/dbraw/zinc/38/38/44/1037383844.db2.gz GWLZOMKMAGEVHP-GOSISDBHSA-N -1 0 331.799 3.820 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCC[C@@H]2Cc2ccccc2)C1 ZINC000659153462 1037385324 /nfs/dbraw/zinc/38/53/24/1037385324.db2.gz YPMSBXLVNJSXMW-LQWHRVPQSA-N -1 0 343.467 3.605 20 0 EHADRM O=C(CCc1ccccc1)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000058035316 1037387209 /nfs/dbraw/zinc/38/72/09/1037387209.db2.gz XVOPZFAFXCWSDK-UHFFFAOYSA-N -1 0 341.432 3.893 20 0 EHADRM O=C(CCCC(F)(F)F)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000539962181 1037391772 /nfs/dbraw/zinc/39/17/72/1037391772.db2.gz JIRCDFXGJAKHLH-UHFFFAOYSA-N -1 0 349.765 3.952 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)[C@@H](CC)c2ccc(F)cc2)n1 ZINC000659183232 1037435158 /nfs/dbraw/zinc/43/51/58/1037435158.db2.gz RDEQOHOSFCEDBH-LSDHHAIUSA-N -1 0 347.390 3.580 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)[C@@H](CC)c2ccc(F)cc2)n1 ZINC000659183230 1037435828 /nfs/dbraw/zinc/43/58/28/1037435828.db2.gz RDEQOHOSFCEDBH-GJZGRUSLSA-N -1 0 347.390 3.580 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N2CC[C@H](C3CCCCC3)C2)cc1 ZINC000659189584 1037442713 /nfs/dbraw/zinc/44/27/13/1037442713.db2.gz OFLAVZRLVNBGLC-SFHVURJKSA-N -1 0 329.440 3.746 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)cc1Cl ZINC000659196414 1037456906 /nfs/dbraw/zinc/45/69/06/1037456906.db2.gz VGFWLGKQHPCUCA-YCPHGPKFSA-N -1 0 335.831 3.754 20 0 EHADRM Cc1ccc(CCCC(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)s1 ZINC000659191583 1037459559 /nfs/dbraw/zinc/45/95/59/1037459559.db2.gz DKRHWXKVORIEGG-IXDOHACOSA-N -1 0 349.496 3.871 20 0 EHADRM C[C@H](CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21)c1ccc(F)cc1 ZINC000659196023 1037465423 /nfs/dbraw/zinc/46/54/23/1037465423.db2.gz RYSZMDJEZUEHJY-ZSGPHXLJSA-N -1 0 347.430 3.811 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC000659226048 1037522753 /nfs/dbraw/zinc/52/27/53/1037522753.db2.gz SUGSYULZWJZCQN-CYBMUJFWSA-N -1 0 329.371 3.642 20 0 EHADRM CCO[C@H](CCNC(=O)c1ccc([O-])c(Cl)c1)C1CCCC1 ZINC000177433134 1037531725 /nfs/dbraw/zinc/53/17/25/1037531725.db2.gz TYWXNDNRKMJCJA-MRXNPFEDSA-N -1 0 325.836 3.761 20 0 EHADRM CCN=c1[n-]nc(SCc2cc(F)ccc2Br)s1 ZINC000591658552 1037537183 /nfs/dbraw/zinc/53/71/83/1037537183.db2.gz LDIWDSAGADCCAO-UHFFFAOYSA-N -1 0 348.266 3.586 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OC(C)C)c(F)c1 ZINC000591682352 1037552392 /nfs/dbraw/zinc/55/23/92/1037552392.db2.gz OIHWZQQSPFZMOI-UHFFFAOYSA-N -1 0 341.379 3.861 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N(CCC1CC1)CC1CC1)C(=O)[O-] ZINC000659231875 1037554223 /nfs/dbraw/zinc/55/42/23/1037554223.db2.gz CERSTSBENOOIBP-ZDUSSCGKSA-N -1 0 347.480 3.904 20 0 EHADRM C[C@H](CC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccccc1C(F)(F)F ZINC000659230723 1037554895 /nfs/dbraw/zinc/55/48/95/1037554895.db2.gz COFYKKXWSDTPHJ-UTUOFQBUSA-N -1 0 343.345 3.521 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)N[C@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000659233194 1037556667 /nfs/dbraw/zinc/55/66/67/1037556667.db2.gz AHHHPNNXPSNEKC-YNZJMPHRSA-N -1 0 341.860 3.580 20 0 EHADRM Cc1c(C(=O)N[C@@H]2CCC[C@]2(C)C(=O)[O-])oc2c1c(C)ccc2C ZINC000659233928 1037557423 /nfs/dbraw/zinc/55/74/23/1037557423.db2.gz DLQOVROWQRINEX-YJYMSZOUSA-N -1 0 329.396 3.731 20 0 EHADRM CCC[C@@H](NC(=O)CC1(CC(=O)[O-])CCCCC1)c1ccccn1 ZINC000591690858 1037557695 /nfs/dbraw/zinc/55/76/95/1037557695.db2.gz PVEZTCVKCSHICP-MRXNPFEDSA-N -1 0 332.444 3.854 20 0 EHADRM Cc1cc(S(=O)(=O)Nc2ccc(COC(C)C)cc2)ccc1F ZINC000591797475 1037605600 /nfs/dbraw/zinc/60/56/00/1037605600.db2.gz WTMWVDWSWPGXPC-UHFFFAOYSA-N -1 0 337.416 3.860 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)s1 ZINC000460829282 1037653170 /nfs/dbraw/zinc/65/31/70/1037653170.db2.gz DUXPNIPVYGGZMM-UHFFFAOYSA-N -1 0 337.344 3.598 20 0 EHADRM CN(Cc1cccc2ccccc21)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000532563918 1037654061 /nfs/dbraw/zinc/65/40/61/1037654061.db2.gz ASLALQWWYGIEOK-UHFFFAOYSA-N -1 0 332.407 3.593 20 0 EHADRM C[C@H](CN=c1[n-]nc(-c2ccccc2)s1)Oc1ccc(F)cc1 ZINC000463072694 1037738537 /nfs/dbraw/zinc/73/85/37/1037738537.db2.gz FCAOFYZVHRQKBU-GFCCVEGCSA-N -1 0 329.400 3.646 20 0 EHADRM COc1ccc(-c2noc(C(=O)[N-]c3c(F)cccc3F)n2)c(C)c1 ZINC001212170864 1037784477 /nfs/dbraw/zinc/78/44/77/1037784477.db2.gz KTOGXMMJDVSNMX-UHFFFAOYSA-N -1 0 345.305 3.584 20 0 EHADRM CCc1cc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)oc1CC ZINC000669434123 1037807375 /nfs/dbraw/zinc/80/73/75/1037807375.db2.gz JWUPVJGVYSOQDS-CQSZACIVSA-N -1 0 327.380 3.623 20 0 EHADRM CCc1cccc(-c2noc(C(=O)[N-]c3c(F)cccc3F)n2)c1 ZINC001212171039 1037882383 /nfs/dbraw/zinc/88/23/83/1037882383.db2.gz PMWPSCXHDSTPIG-UHFFFAOYSA-N -1 0 329.306 3.830 20 0 EHADRM Cc1n[n-]c(=NCc2ccc(-c3ccc(Cl)c(Cl)c3)o2)n1C ZINC000463249603 1037934913 /nfs/dbraw/zinc/93/49/13/1037934913.db2.gz GHEMFMZHTSEMCP-UHFFFAOYSA-N -1 0 337.210 3.724 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)[N-]S(=O)(=O)[C@H](C)C(F)(F)F ZINC000184264636 1038021829 /nfs/dbraw/zinc/02/18/29/1038021829.db2.gz UNIAONLGIJMTJJ-NXEZZACHSA-N -1 0 335.347 3.672 20 0 EHADRM COc1cc(-c2noc(C(=O)[N-]c3c(F)cccc3F)n2)ccc1C ZINC001212171597 1038026653 /nfs/dbraw/zinc/02/66/53/1038026653.db2.gz XDJHHFUXXDDNTR-UHFFFAOYSA-N -1 0 345.305 3.584 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2nccc(-c3ccccc3)n2)s1 ZINC000463367674 1038081028 /nfs/dbraw/zinc/08/10/28/1038081028.db2.gz NPUFXUUNYBKDEI-UHFFFAOYSA-N -1 0 345.449 3.568 20 0 EHADRM COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000592711655 1038107915 /nfs/dbraw/zinc/10/79/15/1038107915.db2.gz JAOHFUMQGNFMAM-UHFFFAOYSA-N -1 0 349.452 3.900 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2)c1 ZINC000124197374 1038149734 /nfs/dbraw/zinc/14/97/34/1038149734.db2.gz PLUSUNDTVLNUJT-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM Fc1ccc(CN=c2[n-]nc(CCCc3ccccc3)o2)c(F)c1 ZINC000538506588 1038347238 /nfs/dbraw/zinc/34/72/38/1038347238.db2.gz JHENKXSDGWKQAB-UHFFFAOYSA-N -1 0 329.350 3.557 20 0 EHADRM CC1(C)CN(C(=O)c2cc(F)cc(Br)c2[O-])[C@H]1C1CC1 ZINC000416233826 1038388865 /nfs/dbraw/zinc/38/88/65/1038388865.db2.gz KMCDAKAQFFNEFI-ZDUSSCGKSA-N -1 0 342.208 3.554 20 0 EHADRM CC(=O)Nc1cc(NC(=O)c2cc(F)cc(Cl)c2[O-])ccc1F ZINC000161785519 1038401831 /nfs/dbraw/zinc/40/18/31/1038401831.db2.gz YPKBPLFEOGAUEG-UHFFFAOYSA-N -1 0 340.713 3.535 20 0 EHADRM CC(C)Oc1ccc(CN=c2[n-]nc(Cc3cccc(F)c3)o2)cc1 ZINC000538594411 1038405641 /nfs/dbraw/zinc/40/56/41/1038405641.db2.gz YQSVZNJGLSCHRJ-UHFFFAOYSA-N -1 0 341.386 3.621 20 0 EHADRM Cc1ccc(-c2[n-][nH]c(=NC(=O)C(C)(C)c3cccs3)c2C)o1 ZINC000416253768 1038428448 /nfs/dbraw/zinc/42/84/48/1038428448.db2.gz SPGSNXYLDGSSSG-UHFFFAOYSA-N -1 0 329.425 3.686 20 0 EHADRM O=C(c1cc2ccccc2cc1O)N1CCC(OC2CCC2)CC1 ZINC000416259157 1038441141 /nfs/dbraw/zinc/44/11/41/1038441141.db2.gz OJBKJYKOGFQIRH-UHFFFAOYSA-N -1 0 325.408 3.719 20 0 EHADRM COCc1cccc(NC(=O)c2cccc(Br)c2[O-])c1 ZINC000538748138 1038512420 /nfs/dbraw/zinc/51/24/20/1038512420.db2.gz SUUDYSKAEVIKCT-UHFFFAOYSA-N -1 0 336.185 3.553 20 0 EHADRM C[C@@H](CC(=O)N1[C@@H](C)CC[C@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000653316690 1038518574 /nfs/dbraw/zinc/51/85/74/1038518574.db2.gz VOUFLWUFUDQCSD-MJVIPROJSA-N -1 0 343.345 3.663 20 0 EHADRM CCOc1cc(/C=C/C(=O)Nc2cccc(Cl)c2[O-])ccc1O ZINC000182913602 1038650568 /nfs/dbraw/zinc/65/05/68/1038650568.db2.gz JQFHGCGMXDSCKO-VQHVLOKHSA-N -1 0 333.771 3.802 20 0 EHADRM Cc1ccc(Br)cc1-c1n[n-]c(=NCCCCF)s1 ZINC000461890646 1038663632 /nfs/dbraw/zinc/66/36/32/1038663632.db2.gz NQKPXOPGUMGHNA-UHFFFAOYSA-N -1 0 344.253 3.860 20 0 EHADRM COc1c(C)cc(C(=O)N=c2[n-]nc(-c3ccsc3)s2)cc1C ZINC000539129713 1038704245 /nfs/dbraw/zinc/70/42/45/1038704245.db2.gz BXIPENLOFOJVOW-UHFFFAOYSA-N -1 0 345.449 3.566 20 0 EHADRM C/C(=C\C(C)(C)C)C(=O)N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000910212399 1038780477 /nfs/dbraw/zinc/78/04/77/1038780477.db2.gz NVHIROKBQIMBGP-PKNBQFBNSA-N -1 0 336.457 3.540 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)[C@H]2CCC[C@@H]21 ZINC000910238820 1038781588 /nfs/dbraw/zinc/78/15/88/1038781588.db2.gz GWNRXGHVLHGMIE-HHARLNAUSA-N -1 0 347.842 3.545 20 0 EHADRM Cc1sccc1C(=O)N[C@@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000910311656 1038819548 /nfs/dbraw/zinc/81/95/48/1038819548.db2.gz CAWVEKWHFJZJBD-INIZCTEOSA-N -1 0 337.828 3.526 20 0 EHADRM Cc1nc(N2CCC([C@H](F)c3ccccc3F)CC2)ncc1C(=O)[O-] ZINC000910309302 1038822542 /nfs/dbraw/zinc/82/25/42/1038822542.db2.gz RYDUFPKDLGOOQJ-INIZCTEOSA-N -1 0 347.365 3.550 20 0 EHADRM Cc1sc([C@H]2CCCN2c2cc(C(C)(C)C)ncn2)nc1C(=O)[O-] ZINC000910314739 1038824084 /nfs/dbraw/zinc/82/40/84/1038824084.db2.gz NBKFQDGILNQHSK-LLVKDONJSA-N -1 0 346.456 3.579 20 0 EHADRM CCc1ccc(O)c(C(=O)Nc2cccc3c2OCC[C@@H]3OC)c1 ZINC000468679873 1038845471 /nfs/dbraw/zinc/84/54/71/1038845471.db2.gz ASUWXWSYFQSRHS-KRWDZBQOSA-N -1 0 327.380 3.677 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](Nc2nn3cc(C4CCCC4)nc3s2)C1 ZINC000910397346 1038879481 /nfs/dbraw/zinc/87/94/81/1038879481.db2.gz QBNPMLAPPJRANH-PWSUYJOCSA-N -1 0 334.445 3.504 20 0 EHADRM O=C([O-])c1ccc(N2CCC(C(=O)c3ccccc3Cl)CC2)nc1 ZINC000910387928 1038891994 /nfs/dbraw/zinc/89/19/94/1038891994.db2.gz AZVQTVXXWSDPFO-UHFFFAOYSA-N -1 0 344.798 3.533 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N(C)[C@H](CC)c2ccccc2OC)s1 ZINC000554112532 1038917067 /nfs/dbraw/zinc/91/70/67/1038917067.db2.gz KUGREVRTRVDHJY-CYBMUJFWSA-N -1 0 348.472 3.536 20 0 EHADRM C[C@H](CC(=O)Nc1ccccc1-n1ccc(C(=O)[O-])n1)C(C)(C)C ZINC000485343558 1038943376 /nfs/dbraw/zinc/94/33/76/1038943376.db2.gz HPRAFSILRJSKKO-GFCCVEGCSA-N -1 0 329.400 3.581 20 0 EHADRM C[C@@H]1CCN(C(=O)CC2CCC(C(=O)[O-])CC2)[C@H]1c1ccccc1 ZINC000910544120 1038962852 /nfs/dbraw/zinc/96/28/52/1038962852.db2.gz HGUBLSJBWVDNMA-MRWWZRLISA-N -1 0 329.440 3.877 20 0 EHADRM Cc1cccc(N=c2[n-]nc(SC[C@@H]3CCC[C@@H](O)C3)s2)c1 ZINC000488225241 1038984589 /nfs/dbraw/zinc/98/45/89/1038984589.db2.gz BUMLBEZCISVAKO-TZMCWYRMSA-N -1 0 335.498 3.655 20 0 EHADRM CN(C(=O)N=c1[n-]nc(C(F)F)s1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000416766088 1038986361 /nfs/dbraw/zinc/98/63/61/1038986361.db2.gz DDHJHBCSFLCECX-BDAKNGLRSA-N -1 0 332.420 3.576 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1ccc(SCc2ccccc2)cn1 ZINC000910648336 1039002252 /nfs/dbraw/zinc/00/22/52/1039002252.db2.gz IHYZMVONFFWCET-UHFFFAOYSA-N -1 0 344.436 3.957 20 0 EHADRM CCc1c(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cnn1C(CC)CC ZINC000910657406 1039005018 /nfs/dbraw/zinc/00/50/18/1039005018.db2.gz YBDKTGFQNUXQKV-OLZOCXBDSA-N -1 0 335.448 3.636 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)Nc1cnn(-c2ccccc2Cl)c1C(C)C ZINC000910657380 1039005036 /nfs/dbraw/zinc/00/50/36/1039005036.db2.gz XGFGTYVIKHRVOF-NSHDSACASA-N -1 0 349.818 3.698 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NCc1ccc2c(c1)CCO2 ZINC000485404205 1039020003 /nfs/dbraw/zinc/02/00/03/1039020003.db2.gz YDOGWPZSDRSYDD-UHFFFAOYSA-N -1 0 327.380 3.719 20 0 EHADRM CSc1cc(C)c(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)o1 ZINC000910705392 1039027471 /nfs/dbraw/zinc/02/74/71/1039027471.db2.gz HFVLEGWPUURJCZ-UHFFFAOYSA-N -1 0 340.426 3.840 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)c2ccoc2C2CC2)nc1C(=O)[O-] ZINC000910722917 1039032382 /nfs/dbraw/zinc/03/23/82/1039032382.db2.gz VGOJXRREIQLDDP-GFCCVEGCSA-N -1 0 346.408 3.597 20 0 EHADRM CCCCOc1ccccc1CN=c1[n-]nc(-c2ccccn2)s1 ZINC000432748984 1039037435 /nfs/dbraw/zinc/03/74/35/1039037435.db2.gz FSIPYIWSJBOSNG-UHFFFAOYSA-N -1 0 340.452 3.813 20 0 EHADRM CS[C@@H](C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)c1ccccc1 ZINC000910741375 1039049938 /nfs/dbraw/zinc/04/99/38/1039049938.db2.gz UOQLIBPYFWPWGA-CYBMUJFWSA-N -1 0 348.449 3.762 20 0 EHADRM Cc1ccc(NCc2ccc(C(=O)[O-])cn2)c(OCC(F)(F)F)c1 ZINC000905725786 1039060999 /nfs/dbraw/zinc/06/09/99/1039060999.db2.gz ZCLNAGHUXAXIDL-UHFFFAOYSA-N -1 0 340.301 3.641 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1cc(F)cc(Cl)c1O ZINC000488296932 1039062919 /nfs/dbraw/zinc/06/29/19/1039062919.db2.gz OVYLIYBZAHRPCT-UHFFFAOYSA-N -1 0 329.780 3.548 20 0 EHADRM Cn1cc(CNc2cc(C(=O)[O-])cc3cccnc32)c(C(C)(C)C)n1 ZINC000905763299 1039092845 /nfs/dbraw/zinc/09/28/45/1039092845.db2.gz XYKJYCVKVADQEO-UHFFFAOYSA-N -1 0 338.411 3.576 20 0 EHADRM CCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC000237143174 1039098617 /nfs/dbraw/zinc/09/86/17/1039098617.db2.gz LPMMBKKISQWKJE-MRXNPFEDSA-N -1 0 349.789 3.987 20 0 EHADRM CC(C)C[C@@H](C(=O)NC1CC(CC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000910806675 1039102461 /nfs/dbraw/zinc/10/24/61/1039102461.db2.gz CIBMGJYELANJKW-VDSRIPIWSA-N -1 0 337.847 3.839 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000910840449 1039111379 /nfs/dbraw/zinc/11/13/79/1039111379.db2.gz GHVMPUDPIPMMFH-BBWFWOEESA-N -1 0 349.386 3.687 20 0 EHADRM CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)s1 ZINC000552279719 1039153158 /nfs/dbraw/zinc/15/31/58/1039153158.db2.gz CXNGZVYIDWACLU-UHFFFAOYSA-N -1 0 342.424 3.789 20 0 EHADRM CC(C)=CC(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC000910956624 1039157480 /nfs/dbraw/zinc/15/74/80/1039157480.db2.gz LYOXNASOETXUKI-UHFFFAOYSA-N -1 0 326.396 3.538 20 0 EHADRM CCCCC(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC000910958035 1039158274 /nfs/dbraw/zinc/15/82/74/1039158274.db2.gz WAIPLHFNTIFINU-UHFFFAOYSA-N -1 0 328.412 3.762 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)C[C@H]1OCCc2ccccc21 ZINC000910959696 1039160318 /nfs/dbraw/zinc/16/03/18/1039160318.db2.gz FZISEIRGTPLQOW-GOSISDBHSA-N -1 0 339.391 3.590 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1SCCc2sccc21 ZINC000910959525 1039160570 /nfs/dbraw/zinc/16/05/70/1039160570.db2.gz DJOQPZVXMPQFIG-OAHLLOKOSA-N -1 0 347.461 3.978 20 0 EHADRM CCN(C(=O)c1nc(C(C)C)ncc1Cl)c1cccc(C(=O)[O-])c1 ZINC000910972417 1039174204 /nfs/dbraw/zinc/17/42/04/1039174204.db2.gz WOYRFGCVVNRFFK-UHFFFAOYSA-N -1 0 347.802 3.618 20 0 EHADRM COc1nc2ccccc2cc1/C=C\c1nc(C(=O)[O-])c(C)s1 ZINC000554390518 1039301016 /nfs/dbraw/zinc/30/10/16/1039301016.db2.gz QSIFFMLCMPXTKZ-FPLPWBNLSA-N -1 0 326.377 3.877 20 0 EHADRM CNC(=O)c1ccc(-c2ccc(CC(C)(C)C(=O)[O-])cc2)cc1C ZINC000906173206 1039352894 /nfs/dbraw/zinc/35/28/94/1039352894.db2.gz PUDQIEDMGZQKNM-UHFFFAOYSA-N -1 0 325.408 3.675 20 0 EHADRM Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000911400861 1039353578 /nfs/dbraw/zinc/35/35/78/1039353578.db2.gz YWWMGQHCXICOCS-IKGGRYGDSA-N -1 0 333.403 3.689 20 0 EHADRM O=C(N=c1[n-]nc(C2CC2)s1)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000552549673 1039365905 /nfs/dbraw/zinc/36/59/05/1039365905.db2.gz SYDAVAKDTNTQCR-AWEZNQCLSA-N -1 0 346.431 3.639 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cc(F)ccc2OCC2CC2)c(F)c1 ZINC000439812852 1039370265 /nfs/dbraw/zinc/37/02/65/1039370265.db2.gz YHYWYHIKTKAQAD-UHFFFAOYSA-N -1 0 347.317 3.704 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)CCC(=O)[O-] ZINC000237516868 1039377623 /nfs/dbraw/zinc/37/76/23/1039377623.db2.gz UUKSPNHXDVLNQU-ZJUUUORDSA-N -1 0 332.227 3.542 20 0 EHADRM COc1nc(C(F)(F)F)ccc1-c1ccc2c(c1)C[C@@H]1[C@@H](C(=O)[O-])[C@H]21 ZINC000906251719 1039411501 /nfs/dbraw/zinc/41/15/01/1039411501.db2.gz XLCGPCJQXQCZOH-NWANDNLSSA-N -1 0 349.308 3.746 20 0 EHADRM Cc1cc(-c2ccc(NC(=O)C(C)(C)C)nc2)c(CC(=O)[O-])s1 ZINC000906241156 1039425169 /nfs/dbraw/zinc/42/51/69/1039425169.db2.gz LLHRUSLZAPYDDS-UHFFFAOYSA-N -1 0 332.425 3.730 20 0 EHADRM C[C@@]1(C(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)CC=CCC1 ZINC000911597481 1039426535 /nfs/dbraw/zinc/42/65/35/1039426535.db2.gz GDBYGJDNRISJGC-HXUWFJFHSA-N -1 0 342.439 3.534 20 0 EHADRM CC[C@H](CC(=O)N[C@H](CC(=O)[O-])c1ccncc1)c1ccc(C)cc1 ZINC000911660068 1039441750 /nfs/dbraw/zinc/44/17/50/1039441750.db2.gz UMZROGSYWDHVKR-CRAIPNDOSA-N -1 0 340.423 3.606 20 0 EHADRM Cc1cscc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000237807336 1039445211 /nfs/dbraw/zinc/44/52/11/1039445211.db2.gz QLTBIGZTTLIHPC-ZDUSSCGKSA-N -1 0 341.791 3.795 20 0 EHADRM C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000911680516 1039454895 /nfs/dbraw/zinc/45/48/95/1039454895.db2.gz YGRLQSTXLURCCQ-FZMZJTMJSA-N -1 0 343.345 3.507 20 0 EHADRM COc1ccc(CCCC(=O)Nc2cc(C(=O)[O-])c(C)cc2F)cc1 ZINC000911681945 1039458417 /nfs/dbraw/zinc/45/84/17/1039458417.db2.gz UFVQOYQYILHMIC-UHFFFAOYSA-N -1 0 345.370 3.802 20 0 EHADRM COc1cccc(C2(C(=O)Nc3cc(C(=O)[O-])c(C)cc3F)CC2)c1 ZINC000911685715 1039459840 /nfs/dbraw/zinc/45/98/40/1039459840.db2.gz FLWCGGOIOCTNNX-UHFFFAOYSA-N -1 0 343.354 3.511 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1ccc(Oc2ccccc2)o1 ZINC000238132111 1039496961 /nfs/dbraw/zinc/49/69/61/1039496961.db2.gz JZQNPVNIAMDNBT-UHFFFAOYSA-N -1 0 331.368 3.837 20 0 EHADRM O=S(=O)([N-]Cc1cc2ccccc2s1)c1c(F)cccc1F ZINC000552849133 1039565603 /nfs/dbraw/zinc/56/56/03/1039565603.db2.gz GGNQVVOMEFSCGT-UHFFFAOYSA-N -1 0 339.388 3.658 20 0 EHADRM CO[C@H](C)c1nc(=NCc2ccc(-c3csc(C)n3)cc2)s[n-]1 ZINC000554686565 1039587238 /nfs/dbraw/zinc/58/72/38/1039587238.db2.gz KZHRUNMDVZJYMP-SNVBAGLBSA-N -1 0 346.481 3.711 20 0 EHADRM CCCCN(C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)[C@@H](C)c1ccc(C)o1 ZINC000898847059 1039600490 /nfs/dbraw/zinc/60/04/90/1039600490.db2.gz UXYCXOHFCCJYKG-SOUVJXGZSA-N -1 0 336.432 3.714 20 0 EHADRM COC(=O)c1cccc2c(Nc3ccc(C(=O)[O-])c(C)c3)ccnc12 ZINC001211653068 1039603100 /nfs/dbraw/zinc/60/31/00/1039603100.db2.gz YYHOOYHGVDUBQH-UHFFFAOYSA-N -1 0 336.347 3.772 20 0 EHADRM COC[C@H](N=c1nc(C(C)(C)C)[n-]s1)c1cccc(Cl)c1 ZINC000554691296 1039614735 /nfs/dbraw/zinc/61/47/35/1039614735.db2.gz DNLZIYYUXPBEOL-LBPRGKRZSA-N -1 0 325.865 3.711 20 0 EHADRM FC(F)C1(CN=c2[n-]nc(Cc3ccc(Cl)cc3)s2)CC1 ZINC000480501277 1039628345 /nfs/dbraw/zinc/62/83/45/1039628345.db2.gz RNUTXBFJUQREGI-UHFFFAOYSA-N -1 0 329.803 3.661 20 0 EHADRM CC(C)(C)[C@H](NC(=O)N=c1ccc(C2CC2)n[n-]1)c1cccc(F)c1 ZINC000448160404 1039637776 /nfs/dbraw/zinc/63/77/76/1039637776.db2.gz OAHHHBPLDGIZRO-QGZVFWFLSA-N -1 0 342.418 3.824 20 0 EHADRM CCC(C)(C)CCS(=O)(=O)[N-]C(=O)CC(C)(C)CC(F)(F)F ZINC000893299410 1039640844 /nfs/dbraw/zinc/64/08/44/1039640844.db2.gz AWIBQTKUPFSIHA-UHFFFAOYSA-N -1 0 345.427 3.627 20 0 EHADRM C[C@@H]1CCC[C@@H](C)N1C(=O)c1c[nH]c(=NC(=O)OC(C)(C)C)s1 ZINC000906565502 1039649512 /nfs/dbraw/zinc/64/95/12/1039649512.db2.gz BKBOEPSFLRFJHO-GHMZBOCLSA-N -1 0 339.461 3.893 20 0 EHADRM CCCc1nc(=N[C@H](COC)c2cccc(C(F)(F)F)c2)s[n-]1 ZINC000643141568 1039723170 /nfs/dbraw/zinc/72/31/70/1039723170.db2.gz SFKMUTAMYCJKRV-GFCCVEGCSA-N -1 0 345.390 3.731 20 0 EHADRM CCOc1c(Cl)cccc1CN=c1[n-]nc(-c2cccs2)o1 ZINC000485970112 1039751909 /nfs/dbraw/zinc/75/19/09/1039751909.db2.gz XOYVTGQMBQPSMR-UHFFFAOYSA-N -1 0 335.816 3.884 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)s1 ZINC000324657374 1039801299 /nfs/dbraw/zinc/80/12/99/1039801299.db2.gz HGQNWERSHUFEEK-BFUOFWGJSA-N -1 0 345.464 3.536 20 0 EHADRM CCCc1nc(=NC(=O)N(C)[C@H](C)c2cc(C)ccc2C)s[n-]1 ZINC000554936588 1039952998 /nfs/dbraw/zinc/95/29/98/1039952998.db2.gz WEWWUVRCTBQKQQ-CYBMUJFWSA-N -1 0 332.473 3.754 20 0 EHADRM FC(F)(F)COc1cccc(N=c2nc(C(F)(F)F)[n-]s2)c1 ZINC000553310933 1039975402 /nfs/dbraw/zinc/97/54/02/1039975402.db2.gz NANLHSTXUBENFK-UHFFFAOYSA-N -1 0 343.252 3.664 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1cc(C2CCCCC2)[nH]n1 ZINC000479132455 1039983013 /nfs/dbraw/zinc/98/30/13/1039983013.db2.gz WGSFLNDEAOPYOH-UHFFFAOYSA-N -1 0 337.420 3.706 20 0 EHADRM CC(C)c1ccccc1OCCN=c1nc(C(F)(F)F)[n-]s1 ZINC000553388073 1040023548 /nfs/dbraw/zinc/02/35/48/1040023548.db2.gz RRKGFKZOIDEENE-UHFFFAOYSA-N -1 0 331.363 3.593 20 0 EHADRM Cc1cnc(CN[C@@]2(C(=O)[O-])CCC(C)(C)c3ccccc32)s1 ZINC000417575970 1040036626 /nfs/dbraw/zinc/03/66/26/1040036626.db2.gz GWUAYBCHIXMUFR-SFHVURJKSA-N -1 0 330.453 3.593 20 0 EHADRM COc1cc(C)c(CNc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1OC ZINC000417607038 1040057958 /nfs/dbraw/zinc/05/79/58/1040057958.db2.gz FTNIJVOUUYSJRB-AWEZNQCLSA-N -1 0 343.423 3.888 20 0 EHADRM CCc1nn(C)c(CC)c1CNc1ccc(C[C@@H](CC)C(=O)[O-])cc1 ZINC000417609367 1040061584 /nfs/dbraw/zinc/06/15/84/1040061584.db2.gz KQPCVPVWENTHBL-OAHLLOKOSA-N -1 0 343.471 3.810 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccnc(-c3ccccc3)c2)c(F)c1 ZINC000479249166 1040070065 /nfs/dbraw/zinc/07/00/65/1040070065.db2.gz RTLLBUGJBIEMSL-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM CCC[C@H](N=c1[n-]nc(-c2ccon2)s1)c1ccc(F)cc1F ZINC000553443891 1040071305 /nfs/dbraw/zinc/07/13/05/1040071305.db2.gz NRIVSRMYCLRSLB-LBPRGKRZSA-N -1 0 336.367 3.847 20 0 EHADRM CC[C@H](NC(=O)c1cnc2cc(F)c(F)cc2c1O)C1CCCC1 ZINC000899156727 1040095751 /nfs/dbraw/zinc/09/57/51/1040095751.db2.gz WKSSUWMCTATLSP-HNNXBMFYSA-N -1 0 334.366 3.505 20 0 EHADRM CC(C)=CCSC[C@@H](NCc1cnc(CC(C)C)s1)C(=O)[O-] ZINC000417626684 1040104928 /nfs/dbraw/zinc/10/49/28/1040104928.db2.gz OOLAFJWKJKXBAL-CQSZACIVSA-N -1 0 342.530 3.584 20 0 EHADRM Clc1ccc(Cc2n[n-]c(=N[C@H]3CCOC4(CCC4)C3)s2)cc1 ZINC000489642314 1040117642 /nfs/dbraw/zinc/11/76/42/1040117642.db2.gz QEHXSJGTZGKYJM-AWEZNQCLSA-N -1 0 349.887 3.718 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1cc(C2CC2)oc1C1CC1)CC(=O)[O-] ZINC000907694292 1040131835 /nfs/dbraw/zinc/13/18/35/1040131835.db2.gz TUCIYRWLVIWEEG-LBPRGKRZSA-N -1 0 333.428 3.901 20 0 EHADRM COc1cc(CNc2ccc(S[C@@H](C)C(=O)[O-])cc2)cc(OC)c1 ZINC000417658969 1040140570 /nfs/dbraw/zinc/14/05/70/1040140570.db2.gz OADLBOARUICHNL-LBPRGKRZSA-N -1 0 347.436 3.881 20 0 EHADRM CC(C)Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)s1 ZINC000907736991 1040152416 /nfs/dbraw/zinc/15/24/16/1040152416.db2.gz VWQLKHQILFDYAC-ILXRZTDVSA-N -1 0 335.469 3.662 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)c1cc(C3CC3)oc1C1CC1)CC2 ZINC000907753364 1040153415 /nfs/dbraw/zinc/15/34/15/1040153415.db2.gz WYUXOIGUNJRQRC-BEFAXECRSA-N -1 0 329.396 3.504 20 0 EHADRM Cc1ccc2sc(C(=O)N=c3[n-]nc(C(F)(F)F)s3)cc2c1 ZINC000584868678 1040159547 /nfs/dbraw/zinc/15/95/47/1040159547.db2.gz PUXZULSDUTWJRL-UHFFFAOYSA-N -1 0 343.355 3.754 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1ccc2c(c1)OCCCO2 ZINC000178648279 1040167154 /nfs/dbraw/zinc/16/71/54/1040167154.db2.gz JHPNJHAXRNEGHZ-UHFFFAOYSA-N -1 0 342.376 3.530 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)[C@H]1CCC=CCCC1 ZINC000907956430 1040247244 /nfs/dbraw/zinc/24/72/44/1040247244.db2.gz COAOTFLJKQAIEJ-ZDUSSCGKSA-N -1 0 326.400 3.561 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1cc(C2(C)CCCC2)on1 ZINC000432958666 1040274219 /nfs/dbraw/zinc/27/42/19/1040274219.db2.gz HKWKMBYXSFJRAT-UHFFFAOYSA-N -1 0 338.404 3.755 20 0 EHADRM CC(C)OCc1ccc(C(=O)N(C)c2cccc(CC(=O)[O-])c2)cc1 ZINC000908078805 1040290851 /nfs/dbraw/zinc/29/08/51/1040290851.db2.gz DAFOCHSKYIXLJZ-UHFFFAOYSA-N -1 0 341.407 3.515 20 0 EHADRM Cc1ccccc1CS(=O)(=O)[N-]c1cc(C2(C)CCCC2)on1 ZINC000432963997 1040296809 /nfs/dbraw/zinc/29/68/09/1040296809.db2.gz BWXOSUBHNFJTBA-UHFFFAOYSA-N -1 0 334.441 3.757 20 0 EHADRM CCc1nc2cc(NC(=O)N3CCCC[C@@H]3CCC(=O)[O-])ccc2o1 ZINC000899312203 1040310477 /nfs/dbraw/zinc/31/04/77/1040310477.db2.gz VXKCGRYMNRHDSW-CYBMUJFWSA-N -1 0 345.399 3.641 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000236936772 1040314564 /nfs/dbraw/zinc/31/45/64/1040314564.db2.gz AUOMAHZQQZIJCY-NSHDSACASA-N -1 0 335.787 3.925 20 0 EHADRM Cc1ccc(-c2ccc(C)c(NC(=O)NCc3ncccc3O)c2)o1 ZINC000432990832 1040367597 /nfs/dbraw/zinc/36/75/97/1040367597.db2.gz HHYIKQGRVUNVEU-UHFFFAOYSA-N -1 0 337.379 3.986 20 0 EHADRM Cc1cc(C)c(C(=O)N=c2[n-]nc(-c3ccc(C)cc3C)s2)o1 ZINC000486712252 1040373648 /nfs/dbraw/zinc/37/36/48/1040373648.db2.gz NSZSAKNVFIDNFU-UHFFFAOYSA-N -1 0 327.409 3.706 20 0 EHADRM C[C@H](CC(=O)NCCCCC1(C(=O)[O-])CCC1)c1ccc(F)cc1 ZINC000908340221 1040401330 /nfs/dbraw/zinc/40/13/30/1040401330.db2.gz CENYQXWHRDKOJZ-CQSZACIVSA-N -1 0 335.419 3.861 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)CCC1 ZINC000908343434 1040404503 /nfs/dbraw/zinc/40/45/03/1040404503.db2.gz WZVSCNJVIZANLR-HZPDHXFCSA-N -1 0 349.858 3.985 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)CCC1 ZINC000908343433 1040404678 /nfs/dbraw/zinc/40/46/78/1040404678.db2.gz WZVSCNJVIZANLR-HOTGVXAUSA-N -1 0 349.858 3.985 20 0 EHADRM CCCC(C)(C)CC(=O)Nc1ccc(-n2[n-]c(C3CC3)cc2=O)nc1 ZINC000912866509 1040423397 /nfs/dbraw/zinc/42/33/97/1040423397.db2.gz FXDMXPINNIGNCL-UHFFFAOYSA-N -1 0 342.443 3.739 20 0 EHADRM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1 ZINC000908382003 1040424890 /nfs/dbraw/zinc/42/48/90/1040424890.db2.gz GKRPTMLIBBOZHU-OWCLPIDISA-N -1 0 346.471 3.825 20 0 EHADRM CC(C)c1cccc(C(=O)N(C)[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000659154715 1040428040 /nfs/dbraw/zinc/42/80/40/1040428040.db2.gz SJMPKTVWOBWBMN-GOSISDBHSA-N -1 0 325.408 3.578 20 0 EHADRM CCC[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000908403156 1040433079 /nfs/dbraw/zinc/43/30/79/1040433079.db2.gz CJLRCRDYDRGBPK-GWCFXTLKSA-N -1 0 331.334 3.774 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000569590102 1040515675 /nfs/dbraw/zinc/51/56/75/1040515675.db2.gz HDDXDMQPDAVYQE-LBPRGKRZSA-N -1 0 339.382 3.737 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cccc(COC(C)(C)C)c2)[C@@H](C(=O)[O-])C1 ZINC000908635984 1040541568 /nfs/dbraw/zinc/54/15/68/1040541568.db2.gz ONJVYBJNGOPGBC-CZUORRHYSA-N -1 0 348.443 3.719 20 0 EHADRM CCC[C@@]1(C(=O)[O-])CCCN1C(=O)Nc1cccc(COC(C)C)c1 ZINC000908618603 1040547539 /nfs/dbraw/zinc/54/75/39/1040547539.db2.gz OUJSSZGYBDRTHO-IBGZPJMESA-N -1 0 348.443 3.863 20 0 EHADRM O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000908618669 1040548711 /nfs/dbraw/zinc/54/87/11/1040548711.db2.gz GHGRFCDOAPJRTQ-CRFBAAHOSA-N -1 0 348.402 3.727 20 0 EHADRM CCOc1cccc(NC(=O)N(Cc2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000908618509 1040549168 /nfs/dbraw/zinc/54/91/68/1040549168.db2.gz LPWRZOAZQBYJQL-CQSZACIVSA-N -1 0 342.395 3.593 20 0 EHADRM Cc1cccc(N=c2[n-]nc(SCC[C@@H]3CCCC3=O)s2)c1 ZINC000481251273 1040562829 /nfs/dbraw/zinc/56/28/29/1040562829.db2.gz DZTRVZVXVAXDKO-LBPRGKRZSA-N -1 0 333.482 3.863 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccn(C3CCCCC3)n2)cc1Cl ZINC000908686718 1040574084 /nfs/dbraw/zinc/57/40/84/1040574084.db2.gz MMKGBADJDABTOD-UHFFFAOYSA-N -1 0 347.802 3.992 20 0 EHADRM CC(C)(CCC(=O)[O-])C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000908698528 1040581638 /nfs/dbraw/zinc/58/16/38/1040581638.db2.gz OVGWSZICTFPGLO-UHFFFAOYSA-N -1 0 335.734 3.771 20 0 EHADRM C[C@@]1(CNC(=O)c2cc(F)c([O-])c(Cl)c2)CCOC2(CCC2)C1 ZINC000899488198 1040590115 /nfs/dbraw/zinc/59/01/15/1040590115.db2.gz NQVHIILUYCXOAU-MRXNPFEDSA-N -1 0 341.810 3.654 20 0 EHADRM C[C@H]1CCCC[C@H]1OCC(=O)Nc1cccc(O)c1Br ZINC000908712155 1040606866 /nfs/dbraw/zinc/60/68/66/1040606866.db2.gz AMGWOCDBDTUMKY-GXFFZTMASA-N -1 0 342.233 3.689 20 0 EHADRM C[C@H]1CCC[C@@H](OCC(=O)Nc2cccc(O)c2Br)C1 ZINC000908713400 1040607250 /nfs/dbraw/zinc/60/72/50/1040607250.db2.gz RUFRAKYCHLSODM-WDEREUQCSA-N -1 0 342.233 3.689 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)CC(C)(C)CC(F)F)C(=O)[O-] ZINC000908837963 1040677324 /nfs/dbraw/zinc/67/73/24/1040677324.db2.gz BSVNHQMDOYQYIA-ZDUSSCGKSA-N -1 0 341.398 3.807 20 0 EHADRM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccccc1CCC(=O)[O-] ZINC000908832307 1040678942 /nfs/dbraw/zinc/67/89/42/1040678942.db2.gz ANGNYZGOKMFYKE-CRAIPNDOSA-N -1 0 337.419 3.722 20 0 EHADRM Cc1ccc(C)c(C(=O)N[C@H]2CCCc3sccc32)c1C(=O)[O-] ZINC000323486621 1040726696 /nfs/dbraw/zinc/72/66/96/1040726696.db2.gz LKXWCGIGHRRSDV-ZDUSSCGKSA-N -1 0 329.421 3.871 20 0 EHADRM C[C@@H](C(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl)C(C)(C)C ZINC000408442728 1040750804 /nfs/dbraw/zinc/75/08/04/1040750804.db2.gz MXMOTJWOZIEKGD-LURJTMIESA-N -1 0 344.285 3.542 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000236973806 1040751942 /nfs/dbraw/zinc/75/19/42/1040751942.db2.gz XZDCFZYLMLUQJB-CRAIPNDOSA-N -1 0 331.456 3.989 20 0 EHADRM CC[C@@H](C(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)ccc1C)c1ccccc1 ZINC000555533602 1040758673 /nfs/dbraw/zinc/75/86/73/1040758673.db2.gz IMRTUOJWEQLXDT-OAHLLOKOSA-N -1 0 336.395 3.618 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1ccc(F)c(Cl)c1 ZINC000555536776 1040765585 /nfs/dbraw/zinc/76/55/85/1040765585.db2.gz YXSPSLTUWCYNDD-UHFFFAOYSA-N -1 0 346.749 3.531 20 0 EHADRM CC(C)n1nc(-c2ccco2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000433119941 1040784555 /nfs/dbraw/zinc/78/45/55/1040784555.db2.gz WYTDLNXEGAEPCN-UHFFFAOYSA-N -1 0 331.397 3.525 20 0 EHADRM O=C([N-]OCc1ccccc1)C1(c2cccc(Br)c2)CC1 ZINC000025039856 1040785686 /nfs/dbraw/zinc/78/56/86/1040785686.db2.gz UKYVIMQLADKKSG-UHFFFAOYSA-N -1 0 346.224 3.729 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000909082902 1040791165 /nfs/dbraw/zinc/79/11/65/1040791165.db2.gz GKWYHRZGCOVMCV-OAHLLOKOSA-N -1 0 339.391 3.977 20 0 EHADRM Cc1ccccc1[C@@H](C)C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000909159526 1040834230 /nfs/dbraw/zinc/83/42/30/1040834230.db2.gz MNRNGWKGVCWLII-CQSZACIVSA-N -1 0 327.380 3.509 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@@H]2CCOC3(CCCC3)C2)cc1 ZINC000909288121 1040909176 /nfs/dbraw/zinc/90/91/76/1040909176.db2.gz GCWJSIVILZBJGZ-CQSZACIVSA-N -1 0 345.439 3.727 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1c(F)c(F)cc(F)c1F ZINC000163582931 1040957786 /nfs/dbraw/zinc/95/77/86/1040957786.db2.gz KVEXKZFHWUDNMK-UHFFFAOYSA-N -1 0 342.273 3.925 20 0 EHADRM Cc1nc(CSc2n[n-]c(=Nc3cccc(C)c3C)s2)co1 ZINC000570890810 1040966685 /nfs/dbraw/zinc/96/66/85/1040966685.db2.gz KSRCSRURRAQFDD-UHFFFAOYSA-N -1 0 332.454 3.909 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)c1ccccc1NC1CCCCC1 ZINC000909738849 1040989584 /nfs/dbraw/zinc/98/95/84/1040989584.db2.gz APCONMPISJRYJS-OAHLLOKOSA-N -1 0 330.428 3.511 20 0 EHADRM C[C@@H]1C[C@H](C)N(C(=O)N=c2[n-]nc(-c3cccc(Cl)c3)s2)C1 ZINC000481529618 1041029318 /nfs/dbraw/zinc/02/93/18/1041029318.db2.gz BAYRDYZETRFHIV-ZJUUUORDSA-N -1 0 336.848 3.543 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)CCC[C@@H](O)c2ccccc2)cc1 ZINC000909836177 1041035177 /nfs/dbraw/zinc/03/51/77/1041035177.db2.gz MMFNOFIFBBXJAH-RDTXWAMCSA-N -1 0 341.407 3.717 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)Nc2nc3c(s2)CCCC3)c1 ZINC000909923806 1041064160 /nfs/dbraw/zinc/06/41/60/1041064160.db2.gz RFRWPULAVIYDNR-UHFFFAOYSA-N -1 0 336.800 3.626 20 0 EHADRM Cc1ccc(NC(=O)[C@@H](CC(=O)[O-])CC(C)C)c(Br)c1 ZINC000899759510 1041087104 /nfs/dbraw/zinc/08/71/04/1041087104.db2.gz PRHFARPFOYCNOP-LLVKDONJSA-N -1 0 342.233 3.833 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)N[C@@H](C)c1nc2ccccc2s1 ZINC000899771558 1041108028 /nfs/dbraw/zinc/10/80/28/1041108028.db2.gz SENLYVKVFPXKMX-RYUDHWBXSA-N -1 0 334.441 3.611 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1ccc(Oc2ccccn2)cc1 ZINC000899770673 1041108152 /nfs/dbraw/zinc/10/81/52/1041108152.db2.gz MXZJUWALJYJJLF-CQSZACIVSA-N -1 0 342.395 3.949 20 0 EHADRM C[C@@]1(C(=O)[O-])[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N[C@H](CC1CC1)c1ccccc1 ZINC000899772785 1041109544 /nfs/dbraw/zinc/10/95/44/1041109544.db2.gz XGQIOTAREDVGRE-AAWZQNATSA-N -1 0 339.435 3.557 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1ccc(F)cc1OC(C)C ZINC000899776386 1041115055 /nfs/dbraw/zinc/11/50/55/1041115055.db2.gz VQQBXHLBPSFOQG-GFCCVEGCSA-N -1 0 325.380 3.688 20 0 EHADRM CC(=O)c1ccc(NC(=O)C[C@H](C(=O)[O-])c2ccc(C)cc2)cc1C ZINC000899776648 1041115574 /nfs/dbraw/zinc/11/55/74/1041115574.db2.gz ZOTCFMCUQGKLMA-SFHVURJKSA-N -1 0 339.391 3.703 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(Br)nc2)cc1Cl ZINC001175313391 1132634692 /nfs/dbraw/zinc/63/46/92/1132634692.db2.gz ASCHJAVSDNUUGQ-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N(C)[C@@H](C)c2cccs2)C(=O)[O-])cc1 ZINC000899800893 1041139294 /nfs/dbraw/zinc/13/92/94/1041139294.db2.gz HZFUPUOQWYJYCX-DZGCQCFKSA-N -1 0 331.437 3.834 20 0 EHADRM O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000571017663 1041145308 /nfs/dbraw/zinc/14/53/08/1041145308.db2.gz RETFUWKICTYCMQ-IAGOWNOFSA-N -1 0 348.406 3.700 20 0 EHADRM CC1(C)CC(C(=O)N2CCC([C@H](CC(=O)[O-])c3ccccc3)CC2)C1 ZINC000910030664 1041145987 /nfs/dbraw/zinc/14/59/87/1041145987.db2.gz BEJLDRKLXVPVRX-GOSISDBHSA-N -1 0 343.467 3.920 20 0 EHADRM Cc1cccc(OC(F)F)c1NC(=O)[C@H](CC(=O)[O-])CC(C)C ZINC000899812562 1041158223 /nfs/dbraw/zinc/15/82/23/1041158223.db2.gz AKGCFGKKOOSXDB-NSHDSACASA-N -1 0 329.343 3.672 20 0 EHADRM C/C=C(/CC)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000910039692 1041160761 /nfs/dbraw/zinc/16/07/61/1041160761.db2.gz XCKHBNNRBNMOST-OQFOIZHKSA-N -1 0 331.290 3.621 20 0 EHADRM Cc1ccc([C@H](CC(=O)N2CCC(c3ccco3)CC2)C(=O)[O-])cc1 ZINC000899825100 1041168247 /nfs/dbraw/zinc/16/82/47/1041168247.db2.gz HWULYDLUCQKXBC-KRWDZBQOSA-N -1 0 341.407 3.553 20 0 EHADRM CCC[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccc(C(F)F)cc1F ZINC000910116495 1041186127 /nfs/dbraw/zinc/18/61/27/1041186127.db2.gz ZDJZEPINPDZJQZ-INIZCTEOSA-N -1 0 329.318 3.623 20 0 EHADRM C/C(=C\C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])cs1)c1cccs1 ZINC000910102628 1041192201 /nfs/dbraw/zinc/19/22/01/1041192201.db2.gz KJDANCYBEFGKNI-ZJNQMXKESA-N -1 0 348.449 3.670 20 0 EHADRM O=C([O-])c1csc([C@H]2CCCN2C(=O)[C@H]2CCC=CCCC2)n1 ZINC000910103896 1041192535 /nfs/dbraw/zinc/19/25/35/1041192535.db2.gz PFFXOFCQSYLJBE-GXTWGEPZSA-N -1 0 334.441 3.641 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000899841522 1041204836 /nfs/dbraw/zinc/20/48/36/1041204836.db2.gz CDUWKGDEFWZKMZ-HZPDHXFCSA-N -1 0 331.412 3.607 20 0 EHADRM CCCc1[nH]ccc1C(=O)N[C@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC000909325877 1041214920 /nfs/dbraw/zinc/21/49/20/1041214920.db2.gz MKDROQATHSKJOG-MRXNPFEDSA-N -1 0 346.452 3.635 20 0 EHADRM CC(C)[C@H]1C[C@@H](CC(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)CCO1 ZINC000910198562 1041224395 /nfs/dbraw/zinc/22/43/95/1041224395.db2.gz UFDAXJKQQJYPKD-YVEFUNNKSA-N -1 0 344.411 3.646 20 0 EHADRM Cc1cccc([C@@H](C)CNC(=O)N(C)C2(C(=O)[O-])CCCCC2)c1 ZINC000555846174 1041232441 /nfs/dbraw/zinc/23/24/41/1041232441.db2.gz RVUGAXWEBMFJJQ-HNNXBMFYSA-N -1 0 332.444 3.527 20 0 EHADRM CCc1cc(NC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)ccc1C ZINC000555851379 1041242407 /nfs/dbraw/zinc/24/24/07/1041242407.db2.gz XQFDYQJXRKWRLE-KRWDZBQOSA-N -1 0 326.396 3.847 20 0 EHADRM COc1cccc(SC)c1[N-]C(=O)c1c(C)noc1C(F)F ZINC000667931289 1041279708 /nfs/dbraw/zinc/27/97/08/1041279708.db2.gz YBROSUGIINWRHT-UHFFFAOYSA-N -1 0 328.340 3.903 20 0 EHADRM CO[C@H](C)c1nc(=Nc2cnn(CCC(C)C)c2C(C)C)s[n-]1 ZINC000509856734 1041332292 /nfs/dbraw/zinc/33/22/92/1041332292.db2.gz VVWNKNMSUZMSKI-GFCCVEGCSA-N -1 0 337.493 3.777 20 0 EHADRM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000511694426 1041467446 /nfs/dbraw/zinc/46/74/46/1041467446.db2.gz BNTSJIQJEHINDK-LLVKDONJSA-N -1 0 341.379 3.943 20 0 EHADRM Cc1cc(C)c(CC(=O)Nc2ccc(OCCCC(=O)[O-])cc2)s1 ZINC000909336296 1041477294 /nfs/dbraw/zinc/47/72/94/1041477294.db2.gz WQVXBYQLUZZCPL-UHFFFAOYSA-N -1 0 347.436 3.790 20 0 EHADRM C[C@@]1(NC(=O)CCc2ccc3ccccc3c2)CCCC[C@@H]1C(=O)[O-] ZINC000432096135 1041589979 /nfs/dbraw/zinc/58/99/79/1041589979.db2.gz DRLACIAJTVMYNN-WIYYLYMNSA-N -1 0 339.435 3.922 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000432121386 1041615994 /nfs/dbraw/zinc/61/59/94/1041615994.db2.gz VXBZZWWTARUFEL-SIIHOXLZSA-N -1 0 335.469 3.565 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC2(c3cccc(Cl)c3)CCCC2)o1 ZINC000432123850 1041622388 /nfs/dbraw/zinc/62/23/88/1041622388.db2.gz WUWBGJROTZFWLU-UHFFFAOYSA-N -1 0 333.771 3.831 20 0 EHADRM COc1cccc(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)c1Cl ZINC001213189558 1041796242 /nfs/dbraw/zinc/79/62/42/1041796242.db2.gz KJFGPHPPCIDNGG-UHFFFAOYSA-N -1 0 348.786 3.896 20 0 EHADRM Cc1noc(-c2ccccc2)c1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000123888153 1041906299 /nfs/dbraw/zinc/90/62/99/1041906299.db2.gz XDZGLCFYNQELHO-UHFFFAOYSA-N -1 0 330.290 3.886 20 0 EHADRM N#CC(C(=O)c1cccs1)=C([O-])c1sccc1Br ZINC000125335554 1041943474 /nfs/dbraw/zinc/94/34/74/1041943474.db2.gz JJFBEKFOJWJABB-ZETCQYMHSA-N -1 0 340.223 3.777 20 0 EHADRM CC(C)(C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000236722213 1042075803 /nfs/dbraw/zinc/07/58/03/1042075803.db2.gz OOITZYDVFIJUPC-LFYBBSHMSA-N -1 0 327.355 3.840 20 0 EHADRM CC(C)(CC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)CC(F)F ZINC000909366066 1042189141 /nfs/dbraw/zinc/18/91/41/1042189141.db2.gz QETVZXYACSLYJB-UHFFFAOYSA-N -1 0 349.761 3.813 20 0 EHADRM CCc1oc(C(=O)NCCc2ccc(C(C)C)cc2)cc1C(=O)[O-] ZINC000549548884 1042199482 /nfs/dbraw/zinc/19/94/82/1042199482.db2.gz KAGQCSYRFKXKED-UHFFFAOYSA-N -1 0 329.396 3.636 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1c1ccnc2ccc(Br)cc21 ZINC000662894981 1042204575 /nfs/dbraw/zinc/20/45/75/1042204575.db2.gz YIDNQIGIATVMBC-GHMZBOCLSA-N -1 0 349.228 3.687 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@]3(C(=O)[O-])CC3(C)C)c2)cs1 ZINC000663031273 1042365956 /nfs/dbraw/zinc/36/59/56/1042365956.db2.gz VEWKCRVMKZCPSQ-KRWDZBQOSA-N -1 0 330.409 3.558 20 0 EHADRM O=C([O-])C1(C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)CC=CC1 ZINC000663036574 1042371354 /nfs/dbraw/zinc/37/13/54/1042371354.db2.gz UYJSDCJOMVBTQA-LBPRGKRZSA-N -1 0 340.206 3.518 20 0 EHADRM COc1ccc2oc([C@H](C)NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c(C)c2c1 ZINC000663035378 1042371454 /nfs/dbraw/zinc/37/14/54/1042371454.db2.gz MAGSRSGSMVPPLC-NHYWBVRUSA-N -1 0 347.411 3.674 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(COC3CCCC3)cc2)CC=CC1 ZINC000663090278 1042439500 /nfs/dbraw/zinc/43/95/00/1042439500.db2.gz COQZBEKQCVGQME-UHFFFAOYSA-N -1 0 329.396 3.505 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(OC3CCCCC3)cc2)CC=CC1 ZINC000663102410 1042451479 /nfs/dbraw/zinc/45/14/79/1042451479.db2.gz VPHXYADRWAIBLB-UHFFFAOYSA-N -1 0 329.396 3.758 20 0 EHADRM Cc1c(C(=O)N(CC(=O)[O-])CC(C)(C)C)cccc1-c1ccccn1 ZINC000663137639 1042486285 /nfs/dbraw/zinc/48/62/85/1042486285.db2.gz NWBRLJHPRGYGPX-UHFFFAOYSA-N -1 0 340.423 3.630 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663154325 1042499738 /nfs/dbraw/zinc/49/97/38/1042499738.db2.gz ZXACQINUNWVKBU-CYBMUJFWSA-N -1 0 335.400 3.580 20 0 EHADRM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663154627 1042499957 /nfs/dbraw/zinc/49/99/57/1042499957.db2.gz KENAPJAPWCTPLJ-PBHICJAKSA-N -1 0 346.471 3.682 20 0 EHADRM Cc1c2ccccc2nc(N2CCC[C@H](OC(C)C)C2)c1C(=O)[O-] ZINC000652534870 1042523793 /nfs/dbraw/zinc/52/37/93/1042523793.db2.gz QEKATAUKYYLQNT-AWEZNQCLSA-N -1 0 328.412 3.635 20 0 EHADRM C[C@@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1nc2ccccc2n1C ZINC000184423701 1042538944 /nfs/dbraw/zinc/53/89/44/1042538944.db2.gz HTAMNURFKGYCSU-SECBINFHSA-N -1 0 347.777 3.562 20 0 EHADRM CCS[C@@H]1CCCC[C@@H]1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184480901 1042558017 /nfs/dbraw/zinc/55/80/17/1042558017.db2.gz ZGWWBYONLGSMGO-QWHCGFSZSA-N -1 0 331.840 3.979 20 0 EHADRM C[C@]1(c2cccc(F)c2)CCN(C(=O)c2c([O-])cc(F)cc2F)C1 ZINC000652620004 1042583045 /nfs/dbraw/zinc/58/30/45/1042583045.db2.gz XTTCLJRLWCVROQ-SFHVURJKSA-N -1 0 335.325 3.613 20 0 EHADRM S=c1[n-]nc(-c2ccco2)n1N=Cc1ccc(Br)cc1 ZINC000254760182 1042623084 /nfs/dbraw/zinc/62/30/84/1042623084.db2.gz TYLHUNFDHGVZIQ-UHFFFAOYSA-N -1 0 349.213 3.845 20 0 EHADRM C[C@H](CNC(=O)c1c([O-])cc(Cl)cc1Cl)c1nccs1 ZINC000186010583 1042647317 /nfs/dbraw/zinc/64/73/17/1042647317.db2.gz KFVTUQFBIQYCCN-SSDOTTSWSA-N -1 0 331.224 3.689 20 0 EHADRM CCCC(=O)Nc1cccc(NC(=O)c2cc(F)c([O-])c(F)c2)c1C ZINC000186696725 1042689410 /nfs/dbraw/zinc/68/94/10/1042689410.db2.gz XKAWWSJOEXHRMD-UHFFFAOYSA-N -1 0 348.349 3.970 20 0 EHADRM COc1ccc(C[C@@H](C)CN(C)C(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000186978974 1042736440 /nfs/dbraw/zinc/73/64/40/1042736440.db2.gz LNYHQRFUYFBZDM-GFCCVEGCSA-N -1 0 349.377 3.630 20 0 EHADRM CC(C)Sc1ccccc1NC(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663349233 1042737852 /nfs/dbraw/zinc/73/78/52/1042737852.db2.gz TUHCYAHAXDSPET-CYBMUJFWSA-N -1 0 336.457 3.810 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)NC[C@H](C(=O)[O-])C2CCC2)cc1 ZINC000663348420 1042739988 /nfs/dbraw/zinc/73/99/88/1042739988.db2.gz VBQFYXRNWRSGAO-HNNXBMFYSA-N -1 0 346.427 3.538 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccc(Cl)s1)[C@@H]1C[C@H]1c1ccccc1 ZINC000066503854 1042771461 /nfs/dbraw/zinc/77/14/61/1042771461.db2.gz UKKRKVHFFAHYGO-WDEREUQCSA-N -1 0 341.841 3.850 20 0 EHADRM FC(F)c1n[n-]c(=N[C@@H](COCc2ccccc2)c2ccccc2)o1 ZINC000432316828 1042831933 /nfs/dbraw/zinc/83/19/33/1042831933.db2.gz BCRHVZIBFIIZPF-HNNXBMFYSA-N -1 0 345.349 3.799 20 0 EHADRM FC(F)c1n[n-]c(=NCc2cccc(COCc3ccccc3)c2)o1 ZINC000432324662 1042893144 /nfs/dbraw/zinc/89/31/44/1042893144.db2.gz WQWIIRSGFYMJHW-UHFFFAOYSA-N -1 0 345.349 3.758 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2)CCCC3)c2ccccc21 ZINC000653333161 1042981197 /nfs/dbraw/zinc/98/11/97/1042981197.db2.gz LWVUFMFMGUFBNX-RTBURBONSA-N -1 0 335.403 3.608 20 0 EHADRM O=C([O-])[C@H]1CCCCCN1C(=O)Nc1ccccc1C(F)(F)F ZINC000321976958 1043004516 /nfs/dbraw/zinc/00/45/16/1043004516.db2.gz ISSPVVFCNDKPFG-GFCCVEGCSA-N -1 0 330.306 3.567 20 0 EHADRM O=S(=O)([N-]c1ccc(SC(F)F)cc1)c1ccccc1F ZINC000006315513 1043173121 /nfs/dbraw/zinc/17/31/21/1043173121.db2.gz DCWQCJYDHPRNCZ-UHFFFAOYSA-N -1 0 333.356 3.941 20 0 EHADRM Cc1ccc(Nc2ccc3ccccc3c2S(=O)(=O)[O-])cc1O ZINC001211701695 1043529787 /nfs/dbraw/zinc/52/97/87/1043529787.db2.gz MPBSIQDKSMBLIO-UHFFFAOYSA-N -1 0 329.377 3.844 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)N=c2nc(C(C)(C)C)[n-]s2)cc1 ZINC000429807091 1043727225 /nfs/dbraw/zinc/72/72/25/1043727225.db2.gz DTYTVZYABXJGQK-UHFFFAOYSA-N -1 0 333.457 3.687 20 0 EHADRM CCC(CC)(CC(=O)NCc1cc(F)c(Cl)cc1F)C(=O)[O-] ZINC000432519453 1043747667 /nfs/dbraw/zinc/74/76/67/1043747667.db2.gz NLFMCLXSZPUMEA-UHFFFAOYSA-N -1 0 333.762 3.516 20 0 EHADRM Cc1ccc(F)cc1CSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000187080721 1043784102 /nfs/dbraw/zinc/78/41/02/1043784102.db2.gz NSIWZKOIKLETRL-UHFFFAOYSA-N -1 0 334.416 3.804 20 0 EHADRM O=C(Nc1ccc(-n2cccn2)c(F)c1)c1cc(F)c([O-])c(Cl)c1 ZINC000187322491 1043939278 /nfs/dbraw/zinc/93/92/78/1043939278.db2.gz RCTYNGNQYPODSF-UHFFFAOYSA-N -1 0 349.724 3.762 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000236437757 1044401207 /nfs/dbraw/zinc/40/12/07/1044401207.db2.gz BWUPDONOXNQBGY-DTWKUNHWSA-N -1 0 332.158 3.738 20 0 EHADRM CC(C)c1ccc(C[C@H](C)[N-]S(=O)(=O)[C@H](C)C(F)(F)F)cc1 ZINC000544725965 1044401496 /nfs/dbraw/zinc/40/14/96/1044401496.db2.gz NAWDIHCTTBVVCT-NWDGAFQWSA-N -1 0 337.407 3.611 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccc(F)cc1F ZINC000344795360 1044430012 /nfs/dbraw/zinc/43/00/12/1044430012.db2.gz RGZVAWDXWXLRER-HNNXBMFYSA-N -1 0 348.349 3.575 20 0 EHADRM O=C(Nc1cc(C(F)(F)F)ccn1)c1cc(F)cc(Cl)c1[O-] ZINC000436564321 1044441266 /nfs/dbraw/zinc/44/12/66/1044441266.db2.gz GKMPNDTYIQHTCG-UHFFFAOYSA-N -1 0 334.656 3.851 20 0 EHADRM Cc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C)c(C)n1 ZINC000337786303 1044451488 /nfs/dbraw/zinc/45/14/88/1044451488.db2.gz XIYFBNMXZYVFLH-UHFFFAOYSA-N -1 0 344.358 3.826 20 0 EHADRM COC(=O)c1c[nH]c(S[C@@H](C)C(=O)c2ccc(C(C)C)cc2)n1 ZINC000432674782 1044731603 /nfs/dbraw/zinc/73/16/03/1044731603.db2.gz DVNSEVKFHKBKRI-NSHDSACASA-N -1 0 332.425 3.683 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)c2cc3c(s2)CCCCC3)C1 ZINC000261632031 1044848249 /nfs/dbraw/zinc/84/82/49/1044848249.db2.gz DCUXTMAYDUYBOQ-SFHVURJKSA-N -1 0 335.469 3.590 20 0 EHADRM O=C(c1ccc(F)cc1[O-])N1CCC2(CCc3ccccc3O2)CC1 ZINC000620233426 1125523843 /nfs/dbraw/zinc/52/38/43/1125523843.db2.gz AHZPEVDLQZIMRT-UHFFFAOYSA-N -1 0 341.382 3.531 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCCC[C@@H]1CC1CCC1 ZINC000620569043 1125603892 /nfs/dbraw/zinc/60/38/92/1125603892.db2.gz ULBYJQCMFWUHMU-LLVKDONJSA-N -1 0 327.346 3.994 20 0 EHADRM COc1cc(NC(=O)c2cccc(C(F)(F)F)c2[O-])ccc1F ZINC000622541583 1126718032 /nfs/dbraw/zinc/71/80/32/1126718032.db2.gz YAQVWILRMGXJOT-UHFFFAOYSA-N -1 0 329.249 3.811 20 0 EHADRM O=C(Nc1ccccc1OCCF)c1cc(F)c([O-])c(Cl)c1 ZINC000622629150 1126734030 /nfs/dbraw/zinc/73/40/30/1126734030.db2.gz ANAMXJFAEIFMMR-UHFFFAOYSA-N -1 0 327.714 3.785 20 0 EHADRM COc1cc(F)cc(C[C@@H](C)NC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000622674406 1126745206 /nfs/dbraw/zinc/74/52/06/1126745206.db2.gz JEEVXZNOUCXPQI-SNVBAGLBSA-N -1 0 337.778 3.554 20 0 EHADRM C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2cccc(Cl)c2[O-])cc1 ZINC000172108830 1126781154 /nfs/dbraw/zinc/78/11/54/1126781154.db2.gz PRDIQPURYZDGJI-ZWNOBZJWSA-N -1 0 344.798 3.892 20 0 EHADRM CO[C@H](C)c1nc(C)c(C(=O)Nc2cccc(Cl)c2[O-])s1 ZINC000175273031 1126869535 /nfs/dbraw/zinc/86/95/35/1126869535.db2.gz OYAVIPWUIOLXGF-MRVPVSSYSA-N -1 0 326.805 3.770 20 0 EHADRM CCCN(C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-])C1CC1 ZINC000176006687 1126895013 /nfs/dbraw/zinc/89/50/13/1126895013.db2.gz ZSDNDQWSVNALHR-UHFFFAOYSA-N -1 0 327.428 3.716 20 0 EHADRM CCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000155443598 1127070567 /nfs/dbraw/zinc/07/05/67/1127070567.db2.gz GBIRCSHCQSKSFB-SECBINFHSA-N -1 0 338.256 3.625 20 0 EHADRM Cn1nc(C2CCCC2)cc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000181105105 1127266729 /nfs/dbraw/zinc/26/67/29/1127266729.db2.gz LYOPDAQUBYYPRJ-UHFFFAOYSA-N -1 0 345.877 3.593 20 0 EHADRM Cc1nc(-c2ccccc2)sc1[N-]S(=O)(=O)c1cccs1 ZINC000181757775 1127294354 /nfs/dbraw/zinc/29/43/54/1127294354.db2.gz CCPJBTCPAAZAOR-UHFFFAOYSA-N -1 0 336.463 3.981 20 0 EHADRM CSc1c(F)cc([N-]S(=O)(=O)c2cccc(F)c2)cc1F ZINC000181752602 1127294501 /nfs/dbraw/zinc/29/45/01/1127294501.db2.gz NMSOZWCBNPIXDT-UHFFFAOYSA-N -1 0 333.356 3.627 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(C)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000182865300 1127351760 /nfs/dbraw/zinc/35/17/60/1127351760.db2.gz XXFNUYMTKCQFMI-LBPRGKRZSA-N -1 0 337.341 3.903 20 0 EHADRM CCCCO[C@H]1C[C@@H](NC(=O)c2cc(F)c(F)c([O-])c2F)C1(C)C ZINC000183035608 1127360046 /nfs/dbraw/zinc/36/00/46/1127360046.db2.gz OFFHQMXCZWWWFQ-NEPJUHHUSA-N -1 0 345.361 3.523 20 0 EHADRM CC(C)(C)C[C@H]([N-]S(=O)(=O)Cc1ccc(F)cc1)C(F)(F)F ZINC000183300711 1127371760 /nfs/dbraw/zinc/37/17/60/1127371760.db2.gz JTJAOGNIKDDILZ-LBPRGKRZSA-N -1 0 341.370 3.612 20 0 EHADRM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000183582430 1127381467 /nfs/dbraw/zinc/38/14/67/1127381467.db2.gz NJBTXCBNPMHZRL-JDNHERCYSA-N -1 0 335.325 3.863 20 0 EHADRM Cc1ccc(NC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])c(Cl)c1 ZINC000325136330 1127392850 /nfs/dbraw/zinc/39/28/50/1127392850.db2.gz SKLZRMUTWSKDFC-MRXNPFEDSA-N -1 0 344.798 3.692 20 0 EHADRM C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H](c1ccccc1)C1CCCC1 ZINC000184228416 1127398982 /nfs/dbraw/zinc/39/89/82/1127398982.db2.gz DULCTTGYGPDCMW-BXUZGUMPSA-N -1 0 335.391 3.788 20 0 EHADRM CCC[C@@H](Cc1ccccc1)NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000185799568 1127432017 /nfs/dbraw/zinc/43/20/17/1127432017.db2.gz JDZCFOYATXASRH-LBPRGKRZSA-N -1 0 337.341 3.951 20 0 EHADRM C[C@](CNC(=O)CC/C=C/c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000193071154 1127432756 /nfs/dbraw/zinc/43/27/56/1127432756.db2.gz XQCPLCKSRQOWTQ-NBILRRPASA-N -1 0 337.419 3.639 20 0 EHADRM CS(=O)(=O)[N-]c1nc(-c2cc(Cl)sc2Cl)cs1 ZINC000194664650 1127465376 /nfs/dbraw/zinc/46/53/76/1127465376.db2.gz FQTAAXJLGATZAP-UHFFFAOYSA-N -1 0 329.255 3.550 20 0 EHADRM CC[C@@H](C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1)c1ccc(F)cc1 ZINC000764785487 1127533640 /nfs/dbraw/zinc/53/36/40/1127533640.db2.gz ZITCDQUDWBABBA-SUMWQHHRSA-N -1 0 349.427 3.527 20 0 EHADRM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3Cl)cc2o1 ZINC000075581085 1127641333 /nfs/dbraw/zinc/64/13/33/1127641333.db2.gz MWKLEFHITXZMPT-UHFFFAOYSA-N -1 0 340.763 3.730 20 0 EHADRM COc1ccc2cc(/C=C/c3nc(C(=O)[O-])ccc3C#N)ccc2c1 ZINC000031732869 1127839727 /nfs/dbraw/zinc/83/97/27/1127839727.db2.gz QJFDIRHWRYOAFM-FPYGCLRLSA-N -1 0 330.343 3.984 20 0 EHADRM O=C([O-])CCOc1cccc(/C=C/c2ccc3cccc(O)c3n2)c1 ZINC000058464689 1128069006 /nfs/dbraw/zinc/06/90/06/1128069006.db2.gz SZYXZDRYQMCTID-VQHVLOKHSA-N -1 0 335.359 3.964 20 0 EHADRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1scnc1Cl ZINC000139915242 1128071196 /nfs/dbraw/zinc/07/11/96/1128071196.db2.gz CVUCDEFJFVPMPJ-SNVBAGLBSA-N -1 0 343.795 3.792 20 0 EHADRM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)[C@H]1CCCc2ccccc21 ZINC000060347128 1128097526 /nfs/dbraw/zinc/09/75/26/1128097526.db2.gz VBGQMZGZJUXFMX-INIZCTEOSA-N -1 0 335.363 3.501 20 0 EHADRM Cc1ccc2c(c1)C(=O)/C(=C/c1ccc([O-])c([N+](=O)[O-])c1)CCO2 ZINC000028913046 1128133897 /nfs/dbraw/zinc/13/38/97/1128133897.db2.gz MASYOACMHBGYRN-UKTHLTGXSA-N -1 0 325.320 3.658 20 0 EHADRM CC(C)[C@H](NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655858932 1128508968 /nfs/dbraw/zinc/50/89/68/1128508968.db2.gz BPXDJZDVKHAPSY-LLLHUVSDSA-N -1 0 346.471 3.818 20 0 EHADRM CC1(CNC(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)CCC1 ZINC000542729600 1128562099 /nfs/dbraw/zinc/56/20/99/1128562099.db2.gz PHSYXJVGDXAHJC-UHFFFAOYSA-N -1 0 336.848 3.592 20 0 EHADRM CC(C)(C)CCOc1cnccc1C[NH2+]Cc1ccc(C(=O)[O-])s1 ZINC000903687875 1128573128 /nfs/dbraw/zinc/57/31/28/1128573128.db2.gz MPWGTBVAWQOHFF-UHFFFAOYSA-N -1 0 348.468 3.946 20 0 EHADRM CCCN(C(=O)N=c1[n-]nc(-c2cc3ccccc3o2)s1)C1CC1 ZINC000470511012 1128606490 /nfs/dbraw/zinc/60/64/90/1128606490.db2.gz LMAVIFMAELUUBQ-UHFFFAOYSA-N -1 0 342.424 3.780 20 0 EHADRM O=C(CCc1ccccc1Cl)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000057752249 1128664234 /nfs/dbraw/zinc/66/42/34/1128664234.db2.gz WBTOGVYYFZRJEF-UHFFFAOYSA-N -1 0 343.770 3.667 20 0 EHADRM O=S(=O)([N-]c1ccccc1OCC1CC1)c1ccc(Cl)s1 ZINC000303846253 1128702169 /nfs/dbraw/zinc/70/21/69/1128702169.db2.gz NRJWTSOIBIYLLK-UHFFFAOYSA-N -1 0 343.857 3.991 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCC[C@H](C)CC3)n2)c1 ZINC000303959281 1128710915 /nfs/dbraw/zinc/71/09/15/1128710915.db2.gz YSMDRKBIECHEHZ-HNNXBMFYSA-N -1 0 341.455 3.964 20 0 EHADRM Clc1ccc2c(c1)[C@H](N=c1[n-]c(C3CCOCC3)no1)CCC2 ZINC000624769189 1128711986 /nfs/dbraw/zinc/71/19/86/1128711986.db2.gz VEOAWBKVXDRBTF-OAHLLOKOSA-N -1 0 333.819 3.528 20 0 EHADRM CCCOc1ccc(CN=c2[n-]nc(C3CCOCC3)s2)c(C)c1 ZINC000338706018 1128725404 /nfs/dbraw/zinc/72/54/04/1128725404.db2.gz QZFFYAXPSNTAGX-UHFFFAOYSA-N -1 0 347.484 3.563 20 0 EHADRM Fc1cccc([C@@H]2CC[C@H](N=c3[n-]nc(C4CCOCC4)s3)C2)c1 ZINC000338720569 1128755578 /nfs/dbraw/zinc/75/55/78/1128755578.db2.gz YJTXFWFPDSXEEF-ZBFHGGJFSA-N -1 0 347.459 3.741 20 0 EHADRM c1cc2cc(CN=c3[n-]nc(C4CCOCC4)s3)ccc2s1 ZINC000338725476 1128765693 /nfs/dbraw/zinc/76/56/93/1128765693.db2.gz NKTNZYLUCSYAEM-UHFFFAOYSA-N -1 0 331.466 3.681 20 0 EHADRM Cc1cccc2sc([N-]S(=O)(=O)c3ccc4c(c3)CCC4)nc21 ZINC000006919698 1128832860 /nfs/dbraw/zinc/83/28/60/1128832860.db2.gz CNPUFMKMMXOKTL-UHFFFAOYSA-N -1 0 344.461 3.894 20 0 EHADRM CC(C)(CCS(=O)(=O)[N-]CC(F)(F)c1ccc(F)cc1)C1CC1 ZINC001670609509 1120090182 /nfs/dbraw/zinc/09/01/82/1120090182.db2.gz LWGSSVBFMHTFDE-UHFFFAOYSA-N -1 0 349.418 3.663 20 0 EHADRM COc1cc(Nc2cccc(Br)c2C#N)ccc1C(=O)[O-] ZINC000227179186 1120326658 /nfs/dbraw/zinc/32/66/58/1120326658.db2.gz KFZABYUXQDRJEX-UHFFFAOYSA-N -1 0 347.168 3.771 20 0 EHADRM CCOc1cccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c1 ZINC000185208185 1120404061 /nfs/dbraw/zinc/40/40/61/1120404061.db2.gz SAPOYCZSVOEZJN-UHFFFAOYSA-N -1 0 334.372 3.507 20 0 EHADRM COc1cccc(OC)c1S(=O)(=O)[N-]c1c(C)cccc1C(C)C ZINC000186491733 1120463749 /nfs/dbraw/zinc/46/37/49/1120463749.db2.gz XQMFQNSUYTWXOB-UHFFFAOYSA-N -1 0 349.452 3.936 20 0 EHADRM CC(C)c1ccccc1S(=O)(=O)[N-]c1ccnn1[C@@H](C)C1CC1 ZINC000188988351 1120521294 /nfs/dbraw/zinc/52/12/94/1120521294.db2.gz XTTOAAIXBRWNHC-ZDUSSCGKSA-N -1 0 333.457 3.778 20 0 EHADRM O=C([O-])[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000013250257 1128917001 /nfs/dbraw/zinc/91/70/01/1128917001.db2.gz JNIRNGOYYAICBI-CQSZACIVSA-N -1 0 337.297 3.902 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2cnc(Cl)cc2C)cc1 ZINC000153012378 1120525781 /nfs/dbraw/zinc/52/57/81/1120525781.db2.gz ABRASGWFMJDTTD-UHFFFAOYSA-N -1 0 328.846 3.566 20 0 EHADRM O=C(NCC1(c2ccccc2)CCC1)c1cc(F)c(F)c([O-])c1F ZINC000193919775 1120808414 /nfs/dbraw/zinc/80/84/14/1120808414.db2.gz QYSUGRRCAOWMBU-UHFFFAOYSA-N -1 0 335.325 3.661 20 0 EHADRM Cn1c(-c2ccc(OCCC(=O)[O-])cc2)nc2cccc(Cl)c21 ZINC000194109844 1120821988 /nfs/dbraw/zinc/82/19/88/1120821988.db2.gz BTFQKSKSBILORA-UHFFFAOYSA-N -1 0 330.771 3.747 20 0 EHADRM COc1ccc2nc(C(=O)Nc3ccc(/C=C\C(=O)[O-])cc3)ccc2c1 ZINC000914730041 1120966156 /nfs/dbraw/zinc/96/61/56/1120966156.db2.gz HUJRVAIIWBGTRL-WCIBSUBMSA-N -1 0 348.358 3.594 20 0 EHADRM Cc1cc(Cl)cc([N-]S(=O)(=O)c2cccc3ncccc32)c1O ZINC000322211115 1121037301 /nfs/dbraw/zinc/03/73/01/1121037301.db2.gz PLEJMHVRUDQAQX-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM O=C(NCC1(CCOCc2ccccc2)CC1)c1cccc(F)c1[O-] ZINC001128203075 1128960590 /nfs/dbraw/zinc/96/05/90/1128960590.db2.gz JOROITKLQHYLIC-UHFFFAOYSA-N -1 0 343.398 3.648 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)C[C@H](C)CC(C)C)c(Cl)cc1F ZINC000762164013 1121138069 /nfs/dbraw/zinc/13/80/69/1121138069.db2.gz ROSKQFXIOCHOAK-SNVBAGLBSA-N -1 0 349.855 3.665 20 0 EHADRM CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000762169308 1121141250 /nfs/dbraw/zinc/14/12/50/1121141250.db2.gz YVUIIYFPKBJVKP-NSHDSACASA-N -1 0 349.855 3.809 20 0 EHADRM CCS(=O)(=O)C=C([O-])c1cc(C)n(CCC2=CCCCC2)c1C ZINC000915362886 1121363037 /nfs/dbraw/zinc/36/30/37/1121363037.db2.gz MTBCWDMDWWKIAG-UHFFFAOYSA-N -1 0 337.485 3.613 20 0 EHADRM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1c([O-])cc(F)cc1F ZINC000077108670 1128989644 /nfs/dbraw/zinc/98/96/44/1128989644.db2.gz TWLXXUWHELHVLG-CMPLNLGQSA-N -1 0 335.325 3.828 20 0 EHADRM CCO[C@H](C)c1nc(COC(=O)c2ccc([O-])c(Cl)c2)cs1 ZINC000762825911 1121449812 /nfs/dbraw/zinc/44/98/12/1121449812.db2.gz WUIPOJZYXHKPPV-SECBINFHSA-N -1 0 341.816 3.957 20 0 EHADRM O=C(O[C@H]1CCCc2ccccc2C1=O)c1ccc([O-])c(Cl)c1 ZINC000762832930 1121453930 /nfs/dbraw/zinc/45/39/30/1121453930.db2.gz XGRBUASIFCZADE-INIZCTEOSA-N -1 0 330.767 3.790 20 0 EHADRM O=C1[N-]S(=O)(=O)c2cc(Nc3ccc(C4CCCC4)cc3)ccc21 ZINC001212457314 1128986083 /nfs/dbraw/zinc/98/60/83/1128986083.db2.gz BCIWLKKVODHIPP-UHFFFAOYSA-N -1 0 342.420 3.520 20 0 EHADRM Cc1ccc(SCCC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000237766749 1121493746 /nfs/dbraw/zinc/49/37/46/1121493746.db2.gz BQFPKFUOAMBZNU-OAHLLOKOSA-N -1 0 335.469 3.581 20 0 EHADRM C[C@@H](NC(=O)NCCCCCC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000316655397 1121595785 /nfs/dbraw/zinc/59/57/85/1121595785.db2.gz QRIOYRJQDLEVJH-SNVBAGLBSA-N -1 0 347.242 3.999 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cc2c(cccc2F)[nH]1 ZINC000762968340 1121619537 /nfs/dbraw/zinc/61/95/37/1121619537.db2.gz WTMHKZQTOSYZKK-UHFFFAOYSA-N -1 0 327.340 3.989 20 0 EHADRM CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000470456992 1121663321 /nfs/dbraw/zinc/66/33/21/1121663321.db2.gz WKBUCPAKXXJYKM-UHFFFAOYSA-N -1 0 345.342 3.694 20 0 EHADRM CCC[C@@H](CC1CCCC1)C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000499555431 1129005395 /nfs/dbraw/zinc/00/53/95/1129005395.db2.gz FDBFVVHIHYUOIW-HNNXBMFYSA-N -1 0 343.427 3.965 20 0 EHADRM COc1cc(CSCc2nc(C)cc(=O)[nH]2)ccc1OC(F)F ZINC000763213478 1121891225 /nfs/dbraw/zinc/89/12/25/1121891225.db2.gz SPQJBUDZKTXCJE-UHFFFAOYSA-N -1 0 342.367 3.534 20 0 EHADRM O=C([N-]S(=O)(=O)/C=C/c1ccccc1)c1cc2ccccc2s1 ZINC000916184242 1122085287 /nfs/dbraw/zinc/08/52/87/1122085287.db2.gz VKUNXJHFFKQQRM-ZHACJKMWSA-N -1 0 343.429 3.632 20 0 EHADRM COC(=O)c1ccc(/C=C(/CC(=O)[O-])c2nc3ccccc3o2)cc1 ZINC000496659134 1122142915 /nfs/dbraw/zinc/14/29/15/1122142915.db2.gz WCLYZXCERCPCLY-UVTDQMKNSA-N -1 0 337.331 3.630 20 0 EHADRM CN(Cc1cc(Br)cs1)C(=O)c1ccc(F)cc1[O-] ZINC000123432885 1122198449 /nfs/dbraw/zinc/19/84/49/1122198449.db2.gz FLVHWIXHBCOGCG-UHFFFAOYSA-N -1 0 344.205 3.628 20 0 EHADRM Cc1ccccc1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000125534815 1122320329 /nfs/dbraw/zinc/32/03/29/1122320329.db2.gz SXNWAUWAJYBFMT-UHFFFAOYSA-N -1 0 344.205 3.697 20 0 EHADRM O=C(CCCC1CCCCC1)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000916771734 1122350199 /nfs/dbraw/zinc/35/01/99/1122350199.db2.gz GEFVYINHCVTYMQ-UHFFFAOYSA-N -1 0 343.876 3.896 20 0 EHADRM COc1cc(F)c([N-]S(=O)(=O)c2cc3ccccc3o2)cc1F ZINC000126514003 1122409809 /nfs/dbraw/zinc/40/98/09/1122409809.db2.gz GDJGIMRFJJUTPB-UHFFFAOYSA-N -1 0 339.319 3.520 20 0 EHADRM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2cc3ccccc3o2)[nH]n1 ZINC000126772522 1122425059 /nfs/dbraw/zinc/42/50/59/1122425059.db2.gz IAUHNGFVGABANG-UHFFFAOYSA-N -1 0 333.413 3.545 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)c2ccc(SC)cc2)n1 ZINC000127351531 1122478935 /nfs/dbraw/zinc/47/89/35/1122478935.db2.gz LDLREZCCEZWFFL-UHFFFAOYSA-N -1 0 328.484 3.618 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)[C@H](C)C3CCC3)n2)c1 ZINC000497380678 1122527672 /nfs/dbraw/zinc/52/76/72/1122527672.db2.gz CICSHUIFNXPHPP-CQSZACIVSA-N -1 0 341.455 3.962 20 0 EHADRM CCc1cc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)n(C)n1 ZINC000128199658 1122537797 /nfs/dbraw/zinc/53/77/97/1122537797.db2.gz QMXJTYLNSNNMPA-UHFFFAOYSA-N -1 0 349.843 3.590 20 0 EHADRM COc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000497456704 1122557003 /nfs/dbraw/zinc/55/70/03/1122557003.db2.gz YYZUSAZWVAMLHW-UHFFFAOYSA-N -1 0 337.416 3.834 20 0 EHADRM CC[C@H](c1n[n-]c(=NC(=O)N[C@H](C)CC2CC2)s1)c1ccccc1 ZINC000497621358 1122608168 /nfs/dbraw/zinc/60/81/68/1122608168.db2.gz KPWSDFDQUKAUKG-DOMZBBRYSA-N -1 0 344.484 3.812 20 0 EHADRM C[C@H](C(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-])c1cc2ccccc2o1 ZINC000262725384 1122791666 /nfs/dbraw/zinc/79/16/66/1122791666.db2.gz GHUWISMICXOEGV-CFZJUORYSA-N -1 0 329.396 3.686 20 0 EHADRM COc1ccc2cccc(CC(=O)Nc3cccc(O)c3F)c2c1 ZINC000129778455 1122846557 /nfs/dbraw/zinc/84/65/57/1122846557.db2.gz CIRPBAJPEZWHQD-UHFFFAOYSA-N -1 0 325.339 3.874 20 0 EHADRM COc1ccc2nc(CNc3cc(C(=O)[O-])ccc3C)sc2c1 ZINC000556323590 1122929237 /nfs/dbraw/zinc/92/92/37/1122929237.db2.gz ZCRIFYKNWKVAJC-UHFFFAOYSA-N -1 0 328.393 3.924 20 0 EHADRM CC(C)(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1cccs1 ZINC000498489394 1122944742 /nfs/dbraw/zinc/94/47/42/1122944742.db2.gz LRKXFSOTIUOCRR-UHFFFAOYSA-N -1 0 329.418 3.865 20 0 EHADRM Cc1nc(C2CCCC2)sc1C(=O)NC1(CC(=O)[O-])CCCC1 ZINC000262807125 1122965505 /nfs/dbraw/zinc/96/55/05/1122965505.db2.gz DEAFBTCZBMJXMV-UHFFFAOYSA-N -1 0 336.457 3.626 20 0 EHADRM CCSCc1ccnc([N-]S(=O)(=O)c2ccc(CC)cc2)c1 ZINC000556479993 1122992455 /nfs/dbraw/zinc/99/24/55/1122992455.db2.gz GQLBQISGEPIPTN-UHFFFAOYSA-N -1 0 336.482 3.698 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(Cl)c2N(C)C)c1 ZINC000071976064 1123030722 /nfs/dbraw/zinc/03/07/22/1123030722.db2.gz AQIGCVHUQDMODR-UHFFFAOYSA-N -1 0 342.823 3.654 20 0 EHADRM O=S(=O)([N-]c1ccccc1NCC(F)(F)F)c1ccccc1F ZINC000072034550 1123035560 /nfs/dbraw/zinc/03/55/60/1123035560.db2.gz LCLYJKSHNRHQPZ-UHFFFAOYSA-N -1 0 348.321 3.601 20 0 EHADRM O=S(=O)([N-]c1cccc(Cl)c1O)c1cccc(Cl)c1F ZINC000078002189 1129090363 /nfs/dbraw/zinc/09/03/63/1129090363.db2.gz VJDRQRQLYSKBHH-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM O=S(=O)([N-]c1cc(O)cc(F)c1)c1cccc(Cl)c1Cl ZINC000131421601 1123103032 /nfs/dbraw/zinc/10/30/32/1123103032.db2.gz JSYSUIFGLAHQDL-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM CCN(C(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(Cl)cc1 ZINC000919711837 1123125983 /nfs/dbraw/zinc/12/59/83/1123125983.db2.gz OILVADSUEDYBPN-UHFFFAOYSA-N -1 0 326.783 3.848 20 0 EHADRM CC[C@H](Cc1ccc(OC)c(OC)c1)Nc1cccc(CC(=O)[O-])c1 ZINC000556919372 1123208195 /nfs/dbraw/zinc/20/81/95/1123208195.db2.gz QAYGPGABINWHEH-MRXNPFEDSA-N -1 0 343.423 3.764 20 0 EHADRM Cc1oncc1[N-]S(=O)(=O)c1c(C)sc2ccc(Cl)cc21 ZINC000132589670 1123254716 /nfs/dbraw/zinc/25/47/16/1123254716.db2.gz ZEEWMQAJKCVFDO-UHFFFAOYSA-N -1 0 342.829 3.960 20 0 EHADRM O=S(=O)([N-]c1cccc(-c2ncco2)c1)c1ccc(Cl)s1 ZINC000132749922 1123295913 /nfs/dbraw/zinc/29/59/13/1123295913.db2.gz NNAVZSODSDVTBR-UHFFFAOYSA-N -1 0 340.813 3.857 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccccc2C(C)(C)C)cnn1CC(C)C ZINC000499284647 1123336089 /nfs/dbraw/zinc/33/60/89/1123336089.db2.gz LWDPXEMXAIMQSN-UHFFFAOYSA-N -1 0 349.500 3.946 20 0 EHADRM COc1ccc2nc([N-]S(=O)(=O)Cc3ccccc3C)sc2c1 ZINC000074932360 1123348322 /nfs/dbraw/zinc/34/83/22/1123348322.db2.gz IQUDUPAWMLTFSO-UHFFFAOYSA-N -1 0 348.449 3.555 20 0 EHADRM O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1c([O-])cccc1Cl ZINC000920454821 1123371120 /nfs/dbraw/zinc/37/11/20/1123371120.db2.gz ZKGLPONCTLPICW-AWEZNQCLSA-N -1 0 347.798 3.856 20 0 EHADRM CCC(CC)(C(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000236867342 1123479191 /nfs/dbraw/zinc/47/91/91/1123479191.db2.gz CHQOJCHRXSZAKM-QGZVFWFLSA-N -1 0 337.847 3.721 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)c1ccc(OCC2CCCCC2)cc1 ZINC000237533503 1123523424 /nfs/dbraw/zinc/52/34/24/1123523424.db2.gz FQLYURRHNDKFHZ-AWEZNQCLSA-N -1 0 333.428 3.629 20 0 EHADRM CC(C)[C@H](NC(=O)C[C@@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1 ZINC000013468983 1129127399 /nfs/dbraw/zinc/12/73/99/1129127399.db2.gz BMQLZFVPFNTLDB-MJGOQNOKSA-N -1 0 343.398 3.898 20 0 EHADRM Cc1nc2cc(F)cc(C(=O)Nc3cccc(Cl)c3[O-])c2nc1C ZINC000077011980 1123529597 /nfs/dbraw/zinc/52/95/97/1123529597.db2.gz WVKXTXMDPIBCGS-UHFFFAOYSA-N -1 0 345.761 3.997 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)Cn2ccc3ccc(Cl)cc32)c1 ZINC000238148130 1123566821 /nfs/dbraw/zinc/56/68/21/1123566821.db2.gz UBJTXHTTZZVLOH-UHFFFAOYSA-N -1 0 346.745 3.771 20 0 EHADRM COc1cc(C(=O)N(Cc2cccnc2)C(C)C)cc(Cl)c1O ZINC000134967208 1123570009 /nfs/dbraw/zinc/57/00/09/1123570009.db2.gz VBKBUSUPNANWDJ-UHFFFAOYSA-N -1 0 334.803 3.500 20 0 EHADRM CC(C)(C)c1ccc(O)c(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000013469957 1129132511 /nfs/dbraw/zinc/13/25/11/1129132511.db2.gz SOQAXPGFRNWIIP-HNNXBMFYSA-N -1 0 341.407 3.887 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3ncccc23)c1 ZINC000135734323 1123642005 /nfs/dbraw/zinc/64/20/05/1123642005.db2.gz ISYWKDVWKNAHEJ-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)[C@H](C)OC1CCCCCC1 ZINC000237558854 1123769730 /nfs/dbraw/zinc/76/97/30/1123769730.db2.gz YJRVYDLTOBAJMI-MAUKXSAKSA-N -1 0 347.455 3.755 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000615283556 1123772221 /nfs/dbraw/zinc/77/22/21/1123772221.db2.gz YVUOSOBCRSLGTI-UHFFFAOYSA-N -1 0 339.399 3.592 20 0 EHADRM C[C@@H](CCOc1ccccc1)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000237579006 1123780402 /nfs/dbraw/zinc/78/04/02/1123780402.db2.gz SVKSEXDWNRVNQZ-RZXPCSSPSA-N -1 0 339.391 3.828 20 0 EHADRM C[C@H]1CCc2c(C(=O)N3CCCC[C@@H]3CCC(=O)[O-])csc2C1 ZINC000237612312 1123790540 /nfs/dbraw/zinc/79/05/40/1123790540.db2.gz PZODCMNDLGGMMG-QWHCGFSZSA-N -1 0 335.469 3.732 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000263325024 1123808442 /nfs/dbraw/zinc/80/84/42/1123808442.db2.gz SOCZKPRVQSWYGS-ZDUSSCGKSA-N -1 0 347.411 3.676 20 0 EHADRM Cc1ccc(CCC(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)cc1 ZINC000237684928 1123810871 /nfs/dbraw/zinc/81/08/71/1123810871.db2.gz XXABVZLAZWOQGV-SFHVURJKSA-N -1 0 325.408 3.568 20 0 EHADRM Cc1ccc(OCCCC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1C ZINC000237711392 1123824430 /nfs/dbraw/zinc/82/44/30/1123824430.db2.gz GEYHCYVACIEKMF-KRWDZBQOSA-N -1 0 347.455 3.566 20 0 EHADRM Cn1c(C(=O)N2CCCC[C@H]2CCC(=O)[O-])ccc1-c1ccccc1 ZINC000237711564 1123824489 /nfs/dbraw/zinc/82/44/89/1123824489.db2.gz XMXFEQMUIRVSLJ-INIZCTEOSA-N -1 0 340.423 3.552 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1ccc(-c2ccccc2F)o1 ZINC000237941079 1123917514 /nfs/dbraw/zinc/91/75/14/1123917514.db2.gz ZYRHUKIGFAETQD-ZDUSSCGKSA-N -1 0 345.370 3.945 20 0 EHADRM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000245687452 1123922995 /nfs/dbraw/zinc/92/29/95/1123922995.db2.gz ITYGIAUFJUOMTH-VHDGCEQUSA-N -1 0 341.411 3.575 20 0 EHADRM CN(Cc1ccncc1)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000081936018 1123930431 /nfs/dbraw/zinc/93/04/31/1123930431.db2.gz BMVLOSSDTRKVDA-UHFFFAOYSA-N -1 0 326.783 3.866 20 0 EHADRM Cc1cc(C)c2nc(C3CC3)cc(C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])c2c1 ZINC000263501638 1123992804 /nfs/dbraw/zinc/99/28/04/1123992804.db2.gz ZDJPMYCBKDLJRS-OLZOCXBDSA-N -1 0 340.423 3.568 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)Cc2ccccc2OC(F)F)cc1 ZINC000238149390 1123997220 /nfs/dbraw/zinc/99/72/20/1123997220.db2.gz NHHQERMPBIIMKZ-JXMROGBWSA-N -1 0 347.317 3.567 20 0 EHADRM C[C@H](CCC(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000263537398 1124029168 /nfs/dbraw/zinc/02/91/68/1124029168.db2.gz PGDHWYGGNKIOEK-KDOFPFPSSA-N -1 0 343.398 3.694 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)C[C@H]2CCCCC2(C)C)sc1C(=O)[O-] ZINC000263543275 1124052744 /nfs/dbraw/zinc/05/27/44/1124052744.db2.gz RXIUVGCYLYRZRM-VXGBXAGGSA-N -1 0 338.473 3.933 20 0 EHADRM CCc1ccc2occ(C(=O)N3CCCC[C@@H]3CCC(=O)[O-])c2c1 ZINC000263557081 1124100752 /nfs/dbraw/zinc/10/07/52/1124100752.db2.gz ZJFLCINLUTVRHS-CQSZACIVSA-N -1 0 329.396 3.855 20 0 EHADRM CC(C)CC[C@H](NC(=O)c1n[n-]c2ccccc2c1=O)C(C)(C)C ZINC000734554442 1131251281 /nfs/dbraw/zinc/25/12/81/1131251281.db2.gz BXHZIJHSPZJROZ-HNNXBMFYSA-N -1 0 329.444 3.916 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N=c1[n-]nc(C2CC2)n1C ZINC000617291590 1124477657 /nfs/dbraw/zinc/47/76/57/1124477657.db2.gz OEXQFAVHSIDOOF-UHFFFAOYSA-N -1 0 346.390 3.575 20 0 EHADRM CC(C)Oc1cc(F)ccc1Nc1ccc(S(=O)(=O)[O-])cc1 ZINC001212295907 1124520095 /nfs/dbraw/zinc/52/00/95/1124520095.db2.gz CXHSQWZEXYRJJP-UHFFFAOYSA-N -1 0 325.361 3.603 20 0 EHADRM CC(C)[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000734703119 1131268185 /nfs/dbraw/zinc/26/81/85/1131268185.db2.gz GSWRWNJNGFBRNJ-KRWDZBQOSA-N -1 0 337.485 3.734 20 0 EHADRM CC(C)[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000734703753 1131268494 /nfs/dbraw/zinc/26/84/94/1131268494.db2.gz PMIQIRMNSLGQEE-CQSZACIVSA-N -1 0 343.514 3.796 20 0 EHADRM [O-]c1cc(Br)ccc1-c1nc([C@@H]2Cc3ccccc32)no1 ZINC000086492389 1124684531 /nfs/dbraw/zinc/68/45/31/1124684531.db2.gz SQAUVJISBJNLJE-CYBMUJFWSA-N -1 0 343.180 3.893 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000069522860 1124845925 /nfs/dbraw/zinc/84/59/25/1124845925.db2.gz LIRNVHBVQJZEIW-UHFFFAOYSA-N -1 0 338.454 3.577 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000250892058 1124869435 /nfs/dbraw/zinc/86/94/35/1124869435.db2.gz MPYDMVMFSXAIHU-FZZIBODNSA-N -1 0 342.222 3.851 20 0 EHADRM CCCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)Cc1ccccc1 ZINC000735203687 1131316505 /nfs/dbraw/zinc/31/65/05/1131316505.db2.gz LARABFALFAQFKP-INIZCTEOSA-N -1 0 325.474 3.629 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(-c3cnco3)cc2)ccc1Cl ZINC000618074453 1124959110 /nfs/dbraw/zinc/95/91/10/1124959110.db2.gz AWDRCBYBFACJBG-UHFFFAOYSA-N -1 0 342.738 3.946 20 0 EHADRM CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000181800848 1125042463 /nfs/dbraw/zinc/04/24/63/1125042463.db2.gz CTDQXWCKBMORDM-UHFFFAOYSA-N -1 0 345.754 3.622 20 0 EHADRM CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000181801635 1125043623 /nfs/dbraw/zinc/04/36/23/1125043623.db2.gz WSCPEZNAJSHULA-UHFFFAOYSA-N -1 0 345.754 3.622 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)N2CC(C)(C)[C@H]2c2ccccc2)s1 ZINC000619330537 1125336235 /nfs/dbraw/zinc/33/62/35/1125336235.db2.gz YSTZNOPZLBSCQE-CYBMUJFWSA-N -1 0 344.484 3.873 20 0 EHADRM CCSCc1cccc(NC(=O)N2CCCCC[C@H]2C(=O)[O-])c1 ZINC000619543095 1125363378 /nfs/dbraw/zinc/36/33/78/1125363378.db2.gz XXUKAOHQDLRHCG-HNNXBMFYSA-N -1 0 336.457 3.801 20 0 EHADRM O=C(N[N-]C(=O)c1cc2ccccc2o1)Nc1ccc(Cl)cc1F ZINC000182770435 1125364538 /nfs/dbraw/zinc/36/45/38/1125364538.db2.gz RBCBMBGOTOTIOV-UHFFFAOYSA-N -1 0 347.733 3.692 20 0 EHADRM CCN(Cc1ccccn1)C(=O)c1c([O-])cc(Cl)cc1Cl ZINC000152679141 1125369054 /nfs/dbraw/zinc/36/90/54/1125369054.db2.gz VSLNLDSFOKTYCP-UHFFFAOYSA-N -1 0 325.195 3.756 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000619968179 1125443770 /nfs/dbraw/zinc/44/37/70/1125443770.db2.gz ZLYDLCPXHPSPQK-UHFFFAOYSA-N -1 0 332.400 3.955 20 0 EHADRM CC(C)(C)n1cc(-c2cccc(OC(F)(F)F)c2)c(C(=O)[O-])n1 ZINC000657206731 1129205788 /nfs/dbraw/zinc/20/57/88/1129205788.db2.gz CKVIUONBSZHSDI-UHFFFAOYSA-N -1 0 328.290 3.902 20 0 EHADRM CCCOc1cc(C)ccc1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000478857095 1129280525 /nfs/dbraw/zinc/28/05/25/1129280525.db2.gz SOFSUZJCTBZWAR-UHFFFAOYSA-N -1 0 331.343 3.873 20 0 EHADRM O=C(/C=C/C1CCCCC1)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000735595270 1131364748 /nfs/dbraw/zinc/36/47/48/1131364748.db2.gz DLZAJCWDCPYOKG-JLHYYAGUSA-N -1 0 343.448 3.781 20 0 EHADRM CCn1nc(C)c([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1C ZINC000172903760 1129309859 /nfs/dbraw/zinc/30/98/59/1129309859.db2.gz LTGWYXPCQJZJKZ-UHFFFAOYSA-N -1 0 348.255 3.627 20 0 EHADRM CCCN=c1[n-]nc(SC[C@@H]2CCC3(CCCCC3)O2)s1 ZINC000466405091 1129427182 /nfs/dbraw/zinc/42/71/82/1129427182.db2.gz NFLKVMYPDXPVNL-LBPRGKRZSA-N -1 0 327.519 3.756 20 0 EHADRM Cc1ccc(F)c(C(=O)Nc2n[nH]c(-c3ccc(Cl)cc3)n2)c1F ZINC000543373897 1129440390 /nfs/dbraw/zinc/44/03/90/1129440390.db2.gz IIMKDPYHQKEVQQ-UHFFFAOYSA-N -1 0 348.740 3.964 20 0 EHADRM CC(=O)c1ccccc1OCCSc1nc(C)c(C2CC2)c(=O)[nH]1 ZINC000631025101 1129454292 /nfs/dbraw/zinc/45/42/92/1129454292.db2.gz PGKWLENKRSPBEO-UHFFFAOYSA-N -1 0 344.436 3.742 20 0 EHADRM O=S(=O)([N-]c1cccc(Cl)c1OCC(F)F)c1ccccc1 ZINC000673491496 1129461342 /nfs/dbraw/zinc/46/13/42/1129461342.db2.gz RATICHYDMFTKBH-UHFFFAOYSA-N -1 0 347.770 3.785 20 0 EHADRM CC(C)(c1n[n-]c(=NC(=O)N[C@@H]2C=CCCC2)s1)c1ccccc1 ZINC000466521173 1129510410 /nfs/dbraw/zinc/51/04/10/1129510410.db2.gz GEXOAKGAQVJMMA-CQSZACIVSA-N -1 0 342.468 3.516 20 0 EHADRM C[C@@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000328321497 1129557527 /nfs/dbraw/zinc/55/75/27/1129557527.db2.gz CRRUADCFMNTCJX-HONMWMINSA-N -1 0 341.329 3.550 20 0 EHADRM COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1cccc(F)c1[O-] ZINC001128507327 1129621099 /nfs/dbraw/zinc/62/10/99/1129621099.db2.gz XUBDGCKLGAJGJL-OAHLLOKOSA-N -1 0 337.778 3.644 20 0 EHADRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc2[nH]ccc2c1 ZINC000509104106 1129750716 /nfs/dbraw/zinc/75/07/16/1129750716.db2.gz TYNOOJFLMXWMFW-UHFFFAOYSA-N -1 0 330.409 3.594 20 0 EHADRM Cc1noc(C(F)F)c1C(=O)[N-]c1nc(-c2ccsc2)ns1 ZINC000673665387 1129785969 /nfs/dbraw/zinc/78/59/69/1129785969.db2.gz JMRJDHCAIZHIAY-UHFFFAOYSA-N -1 0 342.352 3.753 20 0 EHADRM COC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000028782887 1129830224 /nfs/dbraw/zinc/83/02/24/1129830224.db2.gz VKMBLNNZZCDVHR-UHFFFAOYSA-N -1 0 347.436 3.706 20 0 EHADRM COc1ccccc1[C@H](CC(C)C)NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000673790209 1129846036 /nfs/dbraw/zinc/84/60/36/1129846036.db2.gz CGXUEEJPDMPBSU-INMHGKMJSA-N -1 0 345.439 3.566 20 0 EHADRM Cc1cnc(Br)c(Nc2ccc(C(=O)[O-])c(F)c2F)c1 ZINC001212510827 1129864772 /nfs/dbraw/zinc/86/47/72/1129864772.db2.gz DVSAOMHEMPUFTE-UHFFFAOYSA-N -1 0 343.127 3.873 20 0 EHADRM Cc1nccc(Br)c1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212511148 1129876790 /nfs/dbraw/zinc/87/67/90/1129876790.db2.gz UUCKHFJIVXGRAA-UHFFFAOYSA-N -1 0 343.127 3.873 20 0 EHADRM CSc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1Cl ZINC000673898840 1129896157 /nfs/dbraw/zinc/89/61/57/1129896157.db2.gz SGMKYCVBYUPBBQ-WDEREUQCSA-N -1 0 325.817 3.667 20 0 EHADRM CCOC(=O)c1ccc(Nc2ccc(C(=O)[O-])c(F)c2F)c(F)c1 ZINC001212512317 1129920865 /nfs/dbraw/zinc/92/08/65/1129920865.db2.gz HBARDXIMQJFHNY-UHFFFAOYSA-N -1 0 339.269 3.722 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc3nc(C4CCC4)nn3c2)c(F)c1F ZINC001212512555 1129921207 /nfs/dbraw/zinc/92/12/07/1129921207.db2.gz RLLYNLQRCBQTOC-UHFFFAOYSA-N -1 0 344.321 3.717 20 0 EHADRM COCCOc1cccc(F)c1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212515610 1129929388 /nfs/dbraw/zinc/92/93/88/1129929388.db2.gz GLAYAQQWWZZSCT-UHFFFAOYSA-N -1 0 341.285 3.571 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc3c(c2)CN(C2CC2)C3=O)c(F)c1F ZINC001212515609 1129929536 /nfs/dbraw/zinc/92/95/36/1129929536.db2.gz GIILSFOGUOABES-UHFFFAOYSA-N -1 0 344.317 3.525 20 0 EHADRM C/C(=C\C(C)(C)C)C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000186952721 1129937765 /nfs/dbraw/zinc/93/77/65/1129937765.db2.gz XGTZLJBEMQIAQO-OUKQBFOZSA-N -1 0 331.437 3.637 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1c(Cl)nc2ccccn21 ZINC000163663407 1129944188 /nfs/dbraw/zinc/94/41/88/1129944188.db2.gz FGYRSABGFCQZSV-UHFFFAOYSA-N -1 0 344.783 3.670 20 0 EHADRM CCO[C@H](C(=O)Nc1ccc2[n-]c(=S)oc2c1)c1ccccc1 ZINC000163664424 1129944251 /nfs/dbraw/zinc/94/42/51/1129944251.db2.gz SUSOYINPCFXUGM-HNNXBMFYSA-N -1 0 328.393 3.833 20 0 EHADRM O=C(NC[C@H]1CCCC[C@@H]1C(F)(F)F)c1c([O-])cc(F)cc1F ZINC000674016404 1129962107 /nfs/dbraw/zinc/96/21/07/1129962107.db2.gz BXKVWTBHOTVPNC-SCZZXKLOSA-N -1 0 337.288 3.769 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)n1 ZINC000186979204 1129962690 /nfs/dbraw/zinc/96/26/90/1129962690.db2.gz UDELDSLJBQIDSA-UHFFFAOYSA-N -1 0 348.371 3.623 20 0 EHADRM COc1ccc([C@H](C)CC(=O)N=c2ccc(-c3ccccc3)n[n-]2)cc1 ZINC000466622858 1129983184 /nfs/dbraw/zinc/98/31/84/1129983184.db2.gz JCRLSEZQPVJXPN-OAHLLOKOSA-N -1 0 347.418 3.706 20 0 EHADRM Fc1cccc(Cc2n[n-]c(=NCc3csc(C4CC4)n3)s2)c1 ZINC000347891901 1129990411 /nfs/dbraw/zinc/99/04/11/1129990411.db2.gz LBIMAZFRPHJKFG-UHFFFAOYSA-N -1 0 346.456 3.636 20 0 EHADRM c1csc(CCCc2n[n-]c(=NCc3cccc4cc[nH]c43)o2)c1 ZINC000347895480 1130096747 /nfs/dbraw/zinc/09/67/47/1130096747.db2.gz NFFLCJICYCWMDY-UHFFFAOYSA-N -1 0 338.436 3.822 20 0 EHADRM O=S(=O)(Nc1cc(Cl)ccc1F)c1cccc2cccnc21 ZINC000172197227 1130114864 /nfs/dbraw/zinc/11/48/64/1130114864.db2.gz CUQDNHCCOVWGAJ-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c1O ZINC000674754294 1130187286 /nfs/dbraw/zinc/18/72/86/1130187286.db2.gz ARRMCIRQPZQYNO-UHFFFAOYSA-N -1 0 346.433 3.625 20 0 EHADRM CC(C)c1cnc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)s1 ZINC000174013083 1130330763 /nfs/dbraw/zinc/33/07/63/1130330763.db2.gz KKTIUBDXLZLXMQ-UHFFFAOYSA-N -1 0 334.825 3.860 20 0 EHADRM Clc1ccc(Cc2n[n-]c(=NCc3csc(C4CC4)n3)o2)cc1 ZINC000347898301 1130402689 /nfs/dbraw/zinc/40/26/89/1130402689.db2.gz QKYHJHZSELJLJM-UHFFFAOYSA-N -1 0 346.843 3.682 20 0 EHADRM CC(C)(C)c1ccc2cc(C(=O)N(CCC(=O)[O-])C3CC3)[nH]c2c1 ZINC000675969411 1130512131 /nfs/dbraw/zinc/51/21/31/1130512131.db2.gz FJGISKSIXKIBIV-UHFFFAOYSA-N -1 0 328.412 3.545 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)c2c([O-])cc(F)cc2F)c2ccccc2N1 ZINC000176698821 1131045848 /nfs/dbraw/zinc/04/58/48/1131045848.db2.gz SXJQLXPIRBTYAK-AWEZNQCLSA-N -1 0 332.350 3.767 20 0 EHADRM O=C(NO[C@@H]1CCCCO1)Nc1cccc(Br)c1Cl ZINC000282701241 1131151900 /nfs/dbraw/zinc/15/19/00/1131151900.db2.gz AVHRKHIKWPLXQI-SNVBAGLBSA-N -1 0 349.612 3.682 20 0 EHADRM Cc1ccc(C=CS(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)cc1 ZINC000737380753 1131528094 /nfs/dbraw/zinc/52/80/94/1131528094.db2.gz UPLBCIUOCDCPMQ-CSKARUKUSA-N -1 0 345.449 3.859 20 0 EHADRM CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000744007738 1132007718 /nfs/dbraw/zinc/00/77/18/1132007718.db2.gz LXXHCHQKVSRYJA-GFCCVEGCSA-N -1 0 331.865 3.751 20 0 EHADRM COc1ccnc(-c2nc(-c3ccc4[n-]c(=S)sc4c3)no2)c1 ZINC001212755728 1132141419 /nfs/dbraw/zinc/14/14/19/1132141419.db2.gz XDTMJHKDZWFXNZ-UHFFFAOYSA-N -1 0 342.405 3.706 20 0 EHADRM O=S(=O)([O-])c1cc(O)c(Nc2cccc(F)c2)c2ccccc21 ZINC001173836161 1132163723 /nfs/dbraw/zinc/16/37/23/1132163723.db2.gz FZXGNQYQZSWGGK-UHFFFAOYSA-N -1 0 333.340 3.675 20 0 EHADRM COc1ccccc1Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1 ZINC001173841662 1132164584 /nfs/dbraw/zinc/16/45/84/1132164584.db2.gz ZQTLYAJYKNORMB-UHFFFAOYSA-N -1 0 329.377 3.839 20 0 EHADRM COc1ccc(Nc2c(Cl)c(F)[n-]c(=O)c2Cl)cc1OC ZINC001173885440 1132179222 /nfs/dbraw/zinc/17/92/22/1132179222.db2.gz BEOZYZOWHZGHEV-UHFFFAOYSA-N -1 0 333.146 3.994 20 0 EHADRM CS(=O)(=O)c1ccc(Nc2ccc(Cl)c(Cl)c2O)cc1 ZINC001173944862 1132192144 /nfs/dbraw/zinc/19/21/44/1132192144.db2.gz WNPUZGIGDYRFAJ-UHFFFAOYSA-N -1 0 332.208 3.846 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])c1ccc(Nc2ccc(C(N)=O)cc2)cc1 ZINC001174051475 1132207991 /nfs/dbraw/zinc/20/79/91/1132207991.db2.gz RPKLCWJREHUKSY-INIZCTEOSA-N -1 0 326.396 3.743 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2cccc3cnccc32)c(Cl)c1 ZINC001174140533 1132251282 /nfs/dbraw/zinc/25/12/82/1132251282.db2.gz RNSSCQNEWCBVNX-UHFFFAOYSA-N -1 0 334.784 3.879 20 0 EHADRM O=S(=O)([O-])c1cc(Cl)ccc1Nc1cccc(-n2cccn2)c1 ZINC001174300868 1132302473 /nfs/dbraw/zinc/30/24/73/1132302473.db2.gz RINYIGDYTNDEII-UHFFFAOYSA-N -1 0 349.799 3.516 20 0 EHADRM CN(C)S(=O)(=O)c1ccc(Nc2c([S-])cccc2Cl)cc1 ZINC001174259347 1132304208 /nfs/dbraw/zinc/30/42/08/1132304208.db2.gz AOCSZVIRVXLBSE-UHFFFAOYSA-N -1 0 342.873 3.623 20 0 EHADRM O=S(=O)([N-]c1cc(C(F)(F)F)ccn1)c1cccc(Cl)c1 ZINC000182950193 1132311410 /nfs/dbraw/zinc/31/14/10/1132311410.db2.gz PHFVBAVZZNRTHD-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2cc(Br)ccc2O)c1 ZINC001174496528 1132371917 /nfs/dbraw/zinc/37/19/17/1132371917.db2.gz LUSJTQVATJQVKD-QPJJXVBHSA-N -1 0 334.169 3.996 20 0 EHADRM COc1cc(Nc2cccc(/C=C/C(=O)[O-])c2)cc(Br)n1 ZINC001174496034 1132371932 /nfs/dbraw/zinc/37/19/32/1132371932.db2.gz APQSJNXIGQXASQ-AATRIKPKSA-N -1 0 349.184 3.694 20 0 EHADRM C[C@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)c1ccc(F)cc1F ZINC000746101019 1132372756 /nfs/dbraw/zinc/37/27/56/1132372756.db2.gz SVNQDOWZKRKYQG-QMMMGPOBSA-N -1 0 334.347 3.886 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CNC(=O)c2ccc3[n-]c(=S)oc3c2)o1 ZINC000746135858 1132381321 /nfs/dbraw/zinc/38/13/21/1132381321.db2.gz VTQURHGFXBQIJK-BXKDBHETSA-N -1 0 328.393 3.763 20 0 EHADRM C[C@@H](Cc1ccccc1F)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000746155435 1132384945 /nfs/dbraw/zinc/38/49/45/1132384945.db2.gz JQFKFMCBQXOBQA-JTQLQIEISA-N -1 0 330.384 3.617 20 0 EHADRM Cc1ccc(O[C@@H](C)CNC(=O)c2ccc3[n-]c(=S)oc3c2)cc1 ZINC000746315055 1132423985 /nfs/dbraw/zinc/42/39/85/1132423985.db2.gz JOGOLGNIPDYNAR-LBPRGKRZSA-N -1 0 342.420 3.622 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1c(N)cccc1C(F)(F)F ZINC001174675452 1132432796 /nfs/dbraw/zinc/43/27/96/1132432796.db2.gz KXFIEQANLXPJBW-UHFFFAOYSA-N -1 0 326.274 3.738 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cnc2c(ccc(F)c2F)c1 ZINC001174675300 1132432848 /nfs/dbraw/zinc/43/28/48/1132432848.db2.gz WSTGZLYXFNWEEF-UHFFFAOYSA-N -1 0 330.290 3.963 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cc(F)c(Cl)nc1Cl ZINC001174674404 1132432959 /nfs/dbraw/zinc/43/29/59/1132432959.db2.gz XMROYVPOIFUPCQ-UHFFFAOYSA-N -1 0 331.130 3.978 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1c(F)c(F)c(F)c(F)c1F ZINC001174677354 1132433932 /nfs/dbraw/zinc/43/39/32/1132433932.db2.gz JCLFLUSEBCKVDI-UHFFFAOYSA-N -1 0 333.212 3.833 20 0 EHADRM COC(=O)c1ccc(Cl)c(Nc2ccc(C(=O)[O-])cc2OC)c1 ZINC001174676381 1132434286 /nfs/dbraw/zinc/43/42/86/1132434286.db2.gz DSTOJFFJBZMCAG-UHFFFAOYSA-N -1 0 335.743 3.577 20 0 EHADRM COCCCOc1ccc(Nc2ccc(C(=O)[O-])c(OC)c2)cc1 ZINC001174684879 1132435977 /nfs/dbraw/zinc/43/59/77/1132435977.db2.gz JMUSHLYWTGBHKK-UHFFFAOYSA-N -1 0 331.368 3.552 20 0 EHADRM COc1cc(Nc2nc(F)c(F)c(Cl)c2F)ccc1C(=O)[O-] ZINC001174684152 1132436006 /nfs/dbraw/zinc/43/60/06/1132436006.db2.gz XUCQXNHFZYAPST-UHFFFAOYSA-N -1 0 332.665 3.603 20 0 EHADRM COc1cc(Nc2c(F)cccc2N2CCCC2)ccc1C(=O)[O-] ZINC001174686020 1132436380 /nfs/dbraw/zinc/43/63/80/1132436380.db2.gz HSHYGJMQRGYMSZ-UHFFFAOYSA-N -1 0 330.359 3.876 20 0 EHADRM CCCN(CC(F)(F)F)C(=O)c1ccc(Br)cc1O ZINC000044491289 1132453790 /nfs/dbraw/zinc/45/37/90/1132453790.db2.gz HHZJGIZVKOPISJ-UHFFFAOYSA-N -1 0 340.139 3.569 20 0 EHADRM CC(C)Oc1ccc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)cn1 ZINC001174764495 1132458730 /nfs/dbraw/zinc/45/87/30/1132458730.db2.gz FEIJXFCDFHQVOJ-UHFFFAOYSA-N -1 0 342.804 3.513 20 0 EHADRM COc1ccc(-c2nnsc2Nc2ccc(C(=O)[O-])s2)cc1 ZINC001174805347 1132478322 /nfs/dbraw/zinc/47/83/22/1132478322.db2.gz QFQXWWQOGGJHQJ-UHFFFAOYSA-N -1 0 333.394 3.717 20 0 EHADRM Nc1cn(-c2ccc(C(=O)[O-])s2)c2ccc(Br)cc12 ZINC001174809063 1132479405 /nfs/dbraw/zinc/47/94/05/1132479405.db2.gz XECBVIQHXWMMIL-UHFFFAOYSA-N -1 0 337.198 3.735 20 0 EHADRM Nc1cccc2c(Br)cn(-c3ccc(C(=O)[O-])s3)c21 ZINC001174812286 1132480387 /nfs/dbraw/zinc/48/03/87/1132480387.db2.gz FZUFBMIRYFDERD-UHFFFAOYSA-N -1 0 337.198 3.735 20 0 EHADRM O=C([O-])c1cc(-c2ccc(Nc3nnco3)cc2)nc2ccccc21 ZINC001174853055 1132487944 /nfs/dbraw/zinc/48/79/44/1132487944.db2.gz NVXPUHQGLOIDPV-UHFFFAOYSA-N -1 0 332.319 3.727 20 0 EHADRM CC(C)OC1CCC(NC(=O)c2cc(F)c([O-])c(Cl)c2)CC1 ZINC000194946565 1132493389 /nfs/dbraw/zinc/49/33/89/1132493389.db2.gz LHRGQMMTXICMHN-UHFFFAOYSA-N -1 0 329.799 3.651 20 0 EHADRM CN(C)c1ccc(Nc2ccc3ccccc3c2S(=O)(=O)[O-])cc1 ZINC001174879857 1132494595 /nfs/dbraw/zinc/49/45/95/1132494595.db2.gz FACNJWKSFHKZKC-UHFFFAOYSA-N -1 0 342.420 3.896 20 0 EHADRM COc1cc(Nc2ccc(CC(=O)[O-])cc2)ccc1Br ZINC001174953583 1132516261 /nfs/dbraw/zinc/51/62/61/1132516261.db2.gz GTRZULJGSRFIKC-UHFFFAOYSA-N -1 0 336.185 3.828 20 0 EHADRM Cc1cccc2[nH]cc(CC(=O)Nc3ccc(/C=C\C(=O)[O-])cc3)c21 ZINC000738310181 1132557794 /nfs/dbraw/zinc/55/77/94/1132557794.db2.gz DKLJNEFXKMJIFX-YFHOEESVSA-N -1 0 334.375 3.755 20 0 EHADRM Cc1cc(Nc2ccc(C(=O)[O-])c(F)c2)cc(Br)n1 ZINC001175161694 1132568763 /nfs/dbraw/zinc/56/87/63/1132568763.db2.gz PXVUFCJDQAIYQH-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM O=C([O-])c1ccc(Nc2cnc(Br)c(F)c2)cc1F ZINC001175159031 1132570727 /nfs/dbraw/zinc/57/07/27/1132570727.db2.gz WPLDETLZCWKZEC-UHFFFAOYSA-N -1 0 329.100 3.564 20 0 EHADRM COC(=O)Cc1ccc(Cl)c(Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001175160253 1132571926 /nfs/dbraw/zinc/57/19/26/1132571926.db2.gz MZEJAQMKSSBEMV-UHFFFAOYSA-N -1 0 337.734 3.636 20 0 EHADRM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)[N-]Oc1ccccc1 ZINC000773466323 1132585125 /nfs/dbraw/zinc/58/51/25/1132585125.db2.gz IYFQGJBIQTXDAV-SNVBAGLBSA-N -1 0 326.179 3.871 20 0 EHADRM CC1(C)CC(=O)Nc2c(Nc3ccc(C(=O)[O-])c(F)c3)cccc21 ZINC001175161962 1132585625 /nfs/dbraw/zinc/58/56/25/1132585625.db2.gz ONNHMEGAKQUCQZ-UHFFFAOYSA-N -1 0 328.343 3.887 20 0 EHADRM O=C1COc2ccc(Nc3ccc4[n-]c(=S)sc4c3)cc2N1 ZINC001203185705 1132592561 /nfs/dbraw/zinc/59/25/61/1132592561.db2.gz XJMGGZOSQHGLLE-UHFFFAOYSA-N -1 0 329.406 3.660 20 0 EHADRM Cc1cnn(-c2ccccc2F)c1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175220361 1132599103 /nfs/dbraw/zinc/59/91/03/1132599103.db2.gz MGPBWUHQPZBINU-UHFFFAOYSA-N -1 0 329.306 3.901 20 0 EHADRM O=C([O-])c1cc(Nc2ccc(C(=O)c3ccncc3)cc2)ccc1F ZINC001175223560 1132600113 /nfs/dbraw/zinc/60/01/13/1132600113.db2.gz UNLGIUMERBXIBF-UHFFFAOYSA-N -1 0 336.322 3.894 20 0 EHADRM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1ccc(Cl)cc1F ZINC001168914334 1132604629 /nfs/dbraw/zinc/60/46/29/1132604629.db2.gz KTZOQULVZCNSBK-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc3nc(C4CC4)nn3c2)cc1Cl ZINC001175314772 1132635402 /nfs/dbraw/zinc/63/54/02/1132635402.db2.gz AVJSMRKVAFDXHS-UHFFFAOYSA-N -1 0 328.759 3.702 20 0 EHADRM COC(=O)c1ccc(OC)c(Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001175319164 1132637250 /nfs/dbraw/zinc/63/72/50/1132637250.db2.gz OWLIQIUNWNHJED-UHFFFAOYSA-N -1 0 335.743 3.577 20 0 EHADRM COC(=O)c1cc(NC(=O)c2c([O-])cccc2F)cc2ccccc21 ZINC001175375290 1132654278 /nfs/dbraw/zinc/65/42/78/1132654278.db2.gz YAHKCMQMNIUHLD-UHFFFAOYSA-N -1 0 339.322 3.723 20 0 EHADRM O=S(=O)([O-])c1ccc2ccc(Nc3cccc4c[nH]nc43)cc2c1 ZINC001175638928 1132720909 /nfs/dbraw/zinc/72/09/09/1132720909.db2.gz FQPPKZDHWYVVRY-UHFFFAOYSA-N -1 0 339.376 3.706 20 0 EHADRM O=C([O-])c1cncc(Nc2cccnc2Oc2ccc(F)cc2)c1 ZINC001175838187 1132772623 /nfs/dbraw/zinc/77/26/23/1132772623.db2.gz MOYKYFYIPCWZTF-UHFFFAOYSA-N -1 0 325.299 3.850 20 0 EHADRM O=C([O-])c1cncc(Nc2cccc(Cl)c2Br)c1 ZINC001175841749 1132772800 /nfs/dbraw/zinc/77/28/00/1132772800.db2.gz VNZUKIAOKPBXIA-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM CCC(=O)c1cc(Br)ccc1Nc1cncc(C(=O)[O-])c1 ZINC001175846709 1132774082 /nfs/dbraw/zinc/77/40/82/1132774082.db2.gz NSCVNUXCAXAIDV-UHFFFAOYSA-N -1 0 349.184 3.879 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2ccc3scnc3c2)c(Cl)c1 ZINC001175914471 1132796080 /nfs/dbraw/zinc/79/60/80/1132796080.db2.gz UOVORNPSQPGFOR-UHFFFAOYSA-N -1 0 340.813 3.940 20 0 EHADRM O=S(=O)([O-])c1ccc2ccc(Nc3cccc4c3OCC4)cc2c1 ZINC001176075485 1132830134 /nfs/dbraw/zinc/83/01/34/1132830134.db2.gz PAVRXBYCVPDOOE-UHFFFAOYSA-N -1 0 341.388 3.765 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2cccc(OC3CCCC3)c2)cc1 ZINC001176100215 1132847171 /nfs/dbraw/zinc/84/71/71/1132847171.db2.gz ONOMVWNINWIDLP-UHFFFAOYSA-N -1 0 333.409 3.998 20 0 EHADRM CC(C)c1nnc([N-]c2ccc(N(C)C(=O)OC(C)(C)C)nc2)o1 ZINC001176131323 1132855734 /nfs/dbraw/zinc/85/57/34/1132855734.db2.gz SOTAVCXAFYDSEG-UHFFFAOYSA-N -1 0 333.392 3.703 20 0 EHADRM COc1cc(Cl)cc(Nc2c(C)cc(C)cc2S(=O)(=O)[O-])c1 ZINC001176345609 1132905457 /nfs/dbraw/zinc/90/54/57/1132905457.db2.gz GHTHMVVZOYTADD-UHFFFAOYSA-N -1 0 341.816 3.956 20 0 EHADRM O=C([O-])c1cc(Nc2ccc(C(=O)NC3CCCC3)cc2)cs1 ZINC001176439055 1132928698 /nfs/dbraw/zinc/92/86/98/1132928698.db2.gz IHQZNEHKLTVHEV-UHFFFAOYSA-N -1 0 330.409 3.862 20 0 EHADRM Cc1nc(Nc2csc(C(=O)[O-])c2)nc(Cl)c1Br ZINC001176437548 1132928752 /nfs/dbraw/zinc/92/87/52/1132928752.db2.gz XVXPBCSSPVBXKI-UHFFFAOYSA-N -1 0 348.609 3.704 20 0 EHADRM Nc1cc(Br)cc(F)c1Nc1csc(C(=O)[O-])c1 ZINC001176438960 1132929061 /nfs/dbraw/zinc/92/90/61/1132929061.db2.gz HVJYLNFGROJUKN-UHFFFAOYSA-N -1 0 331.166 3.674 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)C[C@@H]2CCc3ccccc3C2)cc1 ZINC000767091451 1132947941 /nfs/dbraw/zinc/94/79/41/1132947941.db2.gz KSMOBEDWHQRZPD-IYCSXQJISA-N -1 0 335.403 3.918 20 0 EHADRM CCOc1c(F)cccc1C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000767092356 1132948885 /nfs/dbraw/zinc/94/88/85/1132948885.db2.gz RGIXLEYPFCWQFA-FLIBITNWSA-N -1 0 329.327 3.575 20 0 EHADRM O=C(c1cc(Nc2ccccc2[S-])ccc1Cl)N1CCOCC1 ZINC001176532099 1132957724 /nfs/dbraw/zinc/95/77/24/1132957724.db2.gz JRSKRDYDGVYAAP-UHFFFAOYSA-N -1 0 348.855 3.845 20 0 EHADRM CC(C)c1nc2ccc(Nc3ccc(C4(C(=O)[O-])CC4)cc3)cn2n1 ZINC001176586104 1132960952 /nfs/dbraw/zinc/96/09/52/1132960952.db2.gz CWIHUNWTEKMRPK-UHFFFAOYSA-N -1 0 336.395 3.713 20 0 EHADRM C[C@H](NC(=O)c1cc2ccccc2cc1O)[C@H](O)c1ccc(F)cc1 ZINC000767157583 1132960982 /nfs/dbraw/zinc/96/09/82/1132960982.db2.gz NLCXXRCGAPFOQJ-BUXKBTBVSA-N -1 0 339.366 3.536 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3ccc(C4OCCO4)cc3)cc2)CC1 ZINC001176590333 1132962516 /nfs/dbraw/zinc/96/25/16/1132962516.db2.gz PVJILNJNQZSKAA-UHFFFAOYSA-N -1 0 325.364 3.592 20 0 EHADRM COC(=O)c1c(F)cc(F)cc1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176588997 1132962800 /nfs/dbraw/zinc/96/28/00/1132962800.db2.gz SNVNDXBGSVZEKP-UHFFFAOYSA-N -1 0 347.317 3.611 20 0 EHADRM CCOC(=O)c1ncc(Cl)cc1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176593711 1132963524 /nfs/dbraw/zinc/96/35/24/1132963524.db2.gz FPWNZAISVBCYCG-VMPITWQZSA-N -1 0 346.770 3.753 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2cc(Br)ccc2O)cc1 ZINC001176593270 1132963531 /nfs/dbraw/zinc/96/35/31/1132963531.db2.gz XVHAFMYSXAKHSA-FPYGCLRLSA-N -1 0 334.169 3.996 20 0 EHADRM O=C([O-])c1ccc(Nc2cccc(F)c2OC[C@H]2CCCO2)cc1 ZINC001176713780 1132994968 /nfs/dbraw/zinc/99/49/68/1132994968.db2.gz PXARIBHUVRPOCG-CQSZACIVSA-N -1 0 331.343 3.825 20 0 EHADRM COC(=O)c1ccc(Nc2ccc(C(=O)[O-])cc2)c(C(F)(F)F)c1 ZINC001176712307 1132994976 /nfs/dbraw/zinc/99/49/76/1132994976.db2.gz PNOZSSUVFPRIAT-UHFFFAOYSA-N -1 0 339.269 3.934 20 0 EHADRM Cn1nc(Br)c2ccc(Nc3ccc(C(=O)[O-])cc3)cc21 ZINC001176715489 1132995844 /nfs/dbraw/zinc/99/58/44/1132995844.db2.gz LZFBMPMLYZJPBD-UHFFFAOYSA-N -1 0 346.184 3.778 20 0 EHADRM Cc1cc(C)c(C=CC(=O)N2Cc3nc(C4CC4)[nH]c(=O)c3C2)cc1C ZINC001176858755 1133009611 /nfs/dbraw/zinc/00/96/11/1133009611.db2.gz KVAWPNFFDHVGLL-VOTSOKGWSA-N -1 0 349.434 3.540 20 0 EHADRM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)C1=Cc2ccccc2CC1)C(F)(F)F ZINC000767608566 1133024905 /nfs/dbraw/zinc/02/49/05/1133024905.db2.gz XUPMGZRZAQXMDF-IAQYHMDHSA-N -1 0 347.402 3.870 20 0 EHADRM CCOc1ccc(N(C)C(=O)c2ccc3oc(=S)[n-]c3c2)cc1 ZINC001177153260 1133035451 /nfs/dbraw/zinc/03/54/51/1133035451.db2.gz DGRAEWPVZJAUGS-UHFFFAOYSA-N -1 0 328.393 3.792 20 0 EHADRM CC(C)Oc1ccc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)nc1 ZINC000768043908 1133088108 /nfs/dbraw/zinc/08/81/08/1133088108.db2.gz JCARTAUHKJLPFD-UHFFFAOYSA-N -1 0 329.381 3.551 20 0 EHADRM COc1ccc(F)cc1[N-]S(=O)(=O)/C=C\c1ccccc1Cl ZINC000768283428 1133121212 /nfs/dbraw/zinc/12/12/12/1133121212.db2.gz QTNDWBOYFMBARM-HJWRWDBZSA-N -1 0 341.791 3.900 20 0 EHADRM CC(=O)c1cc(F)c([O-])c(NC(=O)C2(Cc3ccc(F)cc3)CC2)c1 ZINC001178432924 1133163747 /nfs/dbraw/zinc/16/37/47/1133163747.db2.gz GMHSGHXQUAYGJY-UHFFFAOYSA-N -1 0 345.345 3.834 20 0 EHADRM COc1ccccc1C(C)=CC(=O)Nc1cc(C(C)=O)cc(F)c1[O-] ZINC001178433993 1133163799 /nfs/dbraw/zinc/16/37/99/1133163799.db2.gz ZXSBTBLPSAFICD-FLIBITNWSA-N -1 0 343.354 3.785 20 0 EHADRM CC1(C)CCC(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000768780442 1133181955 /nfs/dbraw/zinc/18/19/55/1133181955.db2.gz YWLGBGKQJXDNMT-UHFFFAOYSA-N -1 0 347.839 3.500 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)[C@@H]1C[C@]12CCc1ccccc12 ZINC000769246191 1133250357 /nfs/dbraw/zinc/25/03/57/1133250357.db2.gz TZHZANRZYUBZBA-LIRRHRJNSA-N -1 0 336.416 3.959 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)[C@H]1C[C@]12CCc1ccccc12 ZINC000769246188 1133250367 /nfs/dbraw/zinc/25/03/67/1133250367.db2.gz TZHZANRZYUBZBA-KUHUBIRLSA-N -1 0 336.416 3.959 20 0 EHADRM COc1cc(NC(=O)c2c([O-])cccc2Cl)c(OC)cc1Cl ZINC000769617365 1133322666 /nfs/dbraw/zinc/32/26/66/1133322666.db2.gz OTWKZBIGWASHNG-UHFFFAOYSA-N -1 0 342.178 3.969 20 0 EHADRM Cc1nc2cc([N-]S(=O)(=O)c3c[nH]c4cccc(F)c43)ccc2o1 ZINC000769858372 1133351717 /nfs/dbraw/zinc/35/17/17/1133351717.db2.gz DGDBQJQTMGAAMD-UHFFFAOYSA-N -1 0 345.355 3.557 20 0 EHADRM CC(C)CCc1ccc(S(=O)(=O)[N-]c2cnn(C)c2C2CC2)cc1 ZINC000769869971 1133360326 /nfs/dbraw/zinc/36/03/26/1133360326.db2.gz KDPRSWLLZGKKQS-UHFFFAOYSA-N -1 0 347.484 3.687 20 0 EHADRM C[C@]12CC3CC(NC(=O)C4(C(=O)[O-])CCCCC4)(C1)C[C@@](C)(C3)C2 ZINC001180439432 1133370752 /nfs/dbraw/zinc/37/07/52/1133370752.db2.gz WWENLQRNCJQTNC-KOCGSPDRSA-N -1 0 333.472 3.887 20 0 EHADRM C[C@@H](NC(=O)c1ccc2ccccc2c1O)[C@@H](O)c1ccc(F)cc1 ZINC000770039240 1133380921 /nfs/dbraw/zinc/38/09/21/1133380921.db2.gz RMDUPLAMEDTGLP-KZULUSFZSA-N -1 0 339.366 3.536 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(SC(F)F)nc2)c1 ZINC000771130824 1133514804 /nfs/dbraw/zinc/51/48/04/1133514804.db2.gz LWXLDFJXTPEZPL-UHFFFAOYSA-N -1 0 348.371 3.645 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)CC(C)(C)C)cc1 ZINC000773945984 1133533313 /nfs/dbraw/zinc/53/33/13/1133533313.db2.gz JRWVNHSWNBEOPH-CYBMUJFWSA-N -1 0 325.474 3.516 20 0 EHADRM Cc1ccc(-c2[nH]nc(NC(=O)c3cccc(Cl)c3[O-])c2C)o1 ZINC000774042113 1133592782 /nfs/dbraw/zinc/59/27/82/1133592782.db2.gz DUEVBPJZIVNFBZ-UHFFFAOYSA-N -1 0 331.759 3.898 20 0 EHADRM O=C(Nc1ccnc(Sc2ccccn2)c1)c1ccc(F)cc1[O-] ZINC001182552038 1133695640 /nfs/dbraw/zinc/69/56/40/1133695640.db2.gz NXZCCQNUPPKDLS-UHFFFAOYSA-N -1 0 341.367 3.725 20 0 EHADRM O=C(Nc1c(Cl)ccc([O-])c1Cl)C12CCC(CO)(CC1)CC2 ZINC001182706735 1133720975 /nfs/dbraw/zinc/72/09/75/1133720975.db2.gz BMQWKMPKJIAFMW-UHFFFAOYSA-N -1 0 344.238 3.970 20 0 EHADRM CCOC(=O)c1cnc(/C=C\c2cncc3ccccc23)c(C(=O)[O-])c1 ZINC000774563290 1133750583 /nfs/dbraw/zinc/75/05/83/1133750583.db2.gz YXVLTQKQHKLCLF-FPLPWBNLSA-N -1 0 348.358 3.675 20 0 EHADRM O=C(NC[C@H]1CCc2ccccc2C1)c1cc(F)cc(Cl)c1[O-] ZINC001183093376 1133767392 /nfs/dbraw/zinc/76/73/92/1133767392.db2.gz OXBNLJQYEVRJQO-NSHDSACASA-N -1 0 333.790 3.720 20 0 EHADRM Cc1noc(-c2ccc(NC(=O)Cc3ccc([S-])cc3)cc2)n1 ZINC001183188986 1133776410 /nfs/dbraw/zinc/77/64/10/1133776410.db2.gz OJTOTBXEYBZWDS-UHFFFAOYSA-N -1 0 325.393 3.515 20 0 EHADRM CN(Cc1ncccc1C(F)(F)F)C(=O)Cc1ccc([S-])cc1 ZINC001183186703 1133776430 /nfs/dbraw/zinc/77/64/30/1133776430.db2.gz BIECESJRYHNLDT-UHFFFAOYSA-N -1 0 340.370 3.590 20 0 EHADRM O=C(Cc1ccc([S-])cc1)NCCc1ccccc1C(F)(F)F ZINC001183190464 1133777671 /nfs/dbraw/zinc/77/76/71/1133777671.db2.gz UAFHLKXIHLODAX-UHFFFAOYSA-N -1 0 339.382 3.896 20 0 EHADRM CCCCc1nnc([N-]S(=O)(=O)c2cccc(C(F)F)c2)s1 ZINC000780710109 1133861393 /nfs/dbraw/zinc/86/13/93/1133861393.db2.gz NXBSFROHBORRDX-UHFFFAOYSA-N -1 0 347.412 3.619 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000786659850 1133883244 /nfs/dbraw/zinc/88/32/44/1133883244.db2.gz IPFKPHFTNRRSPW-BRWVUGGUSA-N -1 0 349.496 3.660 20 0 EHADRM CCC(CC)CNC(=O)CCC(=O)C=C([O-])c1ccc(Cl)cc1 ZINC001184115189 1133894267 /nfs/dbraw/zinc/89/42/67/1133894267.db2.gz YDDPBALPKUXVRW-UHFFFAOYSA-N -1 0 337.847 3.815 20 0 EHADRM CCOCCO[N-]C(=O)[C@H](C)Sc1cc(Cl)ccc1Cl ZINC000772693040 1133932926 /nfs/dbraw/zinc/93/29/26/1133932926.db2.gz UQXVNNLITZIFTA-VIFPVBQESA-N -1 0 338.256 3.558 20 0 EHADRM O=S(=O)([N-]c1ccc2c3c(cccc31)CC2)c1cccnc1Cl ZINC001184879168 1134002167 /nfs/dbraw/zinc/00/21/67/1134002167.db2.gz XIVADEGHECRYEP-UHFFFAOYSA-N -1 0 344.823 3.788 20 0 EHADRM O=C([O-])CCOc1cccc(/C=C2\C(=O)Nc3ccc(Cl)cc32)c1 ZINC000746682964 1134006416 /nfs/dbraw/zinc/00/64/16/1134006416.db2.gz GIPZUEXAMVFROH-DHDCSXOGSA-N -1 0 343.766 3.686 20 0 EHADRM CC(C)CON=C([O-])Nc1nnc(-c2cc3ccccc3o2)s1 ZINC000787464706 1134009432 /nfs/dbraw/zinc/00/94/32/1134009432.db2.gz QYDZJZULNRWUSE-UHFFFAOYSA-N -1 0 332.385 3.660 20 0 EHADRM CCC[C@H](C)c1cc([N-]S(=O)(=O)Cc2cc(F)cc(F)c2)on1 ZINC001185086262 1134026804 /nfs/dbraw/zinc/02/68/04/1134026804.db2.gz YIUGLLAXCZJNFS-JTQLQIEISA-N -1 0 344.383 3.798 20 0 EHADRM CC(C)c1ncsc1[N-]S(=O)(=O)c1ccc(-c2cnco2)cc1 ZINC001185196303 1134055283 /nfs/dbraw/zinc/05/52/83/1134055283.db2.gz LSOLNNBHDPODIB-UHFFFAOYSA-N -1 0 349.437 3.722 20 0 EHADRM COc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccsc1 ZINC001185341254 1134074829 /nfs/dbraw/zinc/07/48/29/1134074829.db2.gz NZHXEDVBRJPWDL-UHFFFAOYSA-N -1 0 337.344 3.576 20 0 EHADRM O=S(=O)([N-]c1cc(C(F)(F)F)no1)c1cc2ccccc2s1 ZINC001185425487 1134083102 /nfs/dbraw/zinc/08/31/02/1134083102.db2.gz SVFFQIRTBHTCKK-UHFFFAOYSA-N -1 0 348.327 3.709 20 0 EHADRM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc3ccccc3s2)cc1 ZINC001185459045 1134091467 /nfs/dbraw/zinc/09/14/67/1134091467.db2.gz DBRCFHZQTTXREL-UHFFFAOYSA-N -1 0 346.433 3.661 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cc3ccccc3s2)c(OC)c1 ZINC001185462422 1134091933 /nfs/dbraw/zinc/09/19/33/1134091933.db2.gz BXBZULGHOVRSFS-UHFFFAOYSA-N -1 0 349.433 3.719 20 0 EHADRM O=S(=O)([N-][C@H](C1CC1)C(F)(F)F)c1cc2ccccc2s1 ZINC001185475807 1134095763 /nfs/dbraw/zinc/09/57/63/1134095763.db2.gz AJTYGLNACSCNLB-GFCCVEGCSA-N -1 0 335.372 3.521 20 0 EHADRM CC[C@@H](C)CCC(=O)Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1 ZINC001185571326 1134107769 /nfs/dbraw/zinc/10/77/69/1134107769.db2.gz LZDWZHQEZNDNHF-GFCCVEGCSA-N -1 0 335.425 3.851 20 0 EHADRM CCCCCC[C@](C)(NC(=O)Nc1nc(C)c(C)s1)C(=O)[O-] ZINC000788320964 1134113781 /nfs/dbraw/zinc/11/37/81/1134113781.db2.gz PEORWROTAIGXTB-HNNXBMFYSA-N -1 0 327.450 3.695 20 0 EHADRM Cc1ccc2ccccc2c1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC001185639592 1134115991 /nfs/dbraw/zinc/11/59/91/1134115991.db2.gz HFPPLGZFVRDPPR-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM O=S(=O)([N-]c1cc(C2CCCCC2)no1)c1ccc(Cl)nc1 ZINC001185648960 1134116732 /nfs/dbraw/zinc/11/67/32/1134116732.db2.gz KJPJEYWHXRHWLO-UHFFFAOYSA-N -1 0 341.820 3.572 20 0 EHADRM Cc1ccc(-c2cc([N-]S(=O)(=O)c3cccc(F)c3C)on2)cc1 ZINC001185794813 1134134039 /nfs/dbraw/zinc/13/40/39/1134134039.db2.gz BCVPRTNAAJVZIK-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM O=C(Cc1cc(C(F)(F)F)cc(Cl)n1)[N-]OCc1ccccc1 ZINC000788633812 1134153635 /nfs/dbraw/zinc/15/36/35/1134153635.db2.gz ZWVBOXJDKMZIBS-UHFFFAOYSA-N -1 0 344.720 3.544 20 0 EHADRM O=S(=O)([N-]c1cccc2sccc21)c1ccc2n[nH]cc2c1 ZINC001185996297 1134154905 /nfs/dbraw/zinc/15/49/05/1134154905.db2.gz AXUJBKQGDCBXCC-UHFFFAOYSA-N -1 0 329.406 3.578 20 0 EHADRM O=C(c1cccc([S-])c1)N1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1 ZINC001186140173 1134174027 /nfs/dbraw/zinc/17/40/27/1134174027.db2.gz AQFKNYXUDORCQW-BPQIPLTHSA-N -1 0 331.481 3.643 20 0 EHADRM COc1ccc(NC(=O)c2cccc([S-])c2)c(Br)c1 ZINC001186152486 1134176318 /nfs/dbraw/zinc/17/63/18/1134176318.db2.gz KVBQBDCXQNNOMN-UHFFFAOYSA-N -1 0 338.226 3.999 20 0 EHADRM O=S(=O)(/C=C\c1ccc(F)cc1)[N-]CC(F)(F)c1ccccc1 ZINC000788918753 1134193225 /nfs/dbraw/zinc/19/32/25/1134193225.db2.gz YTJJSRHCKPMOQI-KHPPLWFESA-N -1 0 341.354 3.508 20 0 EHADRM O=C1CCc2cccc([N-]S(=O)(=O)c3csc4ccccc43)c21 ZINC001186499297 1134223340 /nfs/dbraw/zinc/22/33/40/1134223340.db2.gz VULZIEHSTJPOIA-UHFFFAOYSA-N -1 0 343.429 3.831 20 0 EHADRM O=S(=O)([N-]c1ccccc1OCc1ccccc1)c1ccco1 ZINC001186851737 1134260339 /nfs/dbraw/zinc/26/03/39/1134260339.db2.gz OORBAXOQQXWSJH-UHFFFAOYSA-N -1 0 329.377 3.659 20 0 EHADRM CC(C)(C)COc1ccc([N-]S(=O)(=O)c2ccco2)cc1F ZINC001186863635 1134270105 /nfs/dbraw/zinc/27/01/05/1134270105.db2.gz QMHNRYXUTWJQGU-UHFFFAOYSA-N -1 0 327.377 3.644 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])c1ccc(NC(=O)NCC(F)(F)F)cc1 ZINC001187090957 1134297387 /nfs/dbraw/zinc/29/73/87/1134297387.db2.gz KRUSWEUNBUELMZ-LLVKDONJSA-N -1 0 332.322 3.585 20 0 EHADRM O=S(=O)([N-]c1cnccc1C1CC1)c1cc2c(s1)CCCC2 ZINC001187185484 1134307440 /nfs/dbraw/zinc/30/74/40/1134307440.db2.gz ZOQGSVDKOOFNKH-UHFFFAOYSA-N -1 0 334.466 3.700 20 0 EHADRM Cc1ccc(/C=C/S(=O)(=O)[N-]c2nnc(CC3CCCC3)o2)cc1 ZINC000775107804 1134311459 /nfs/dbraw/zinc/31/14/59/1134311459.db2.gz LECKQHQCYCKTFL-ZHACJKMWSA-N -1 0 347.440 3.523 20 0 EHADRM Cc1ccc(/C=C\S(=O)(=O)[N-]c2nnc(CC3CCCC3)o2)cc1 ZINC000775107801 1134311571 /nfs/dbraw/zinc/31/15/71/1134311571.db2.gz LECKQHQCYCKTFL-KHPPLWFESA-N -1 0 347.440 3.523 20 0 EHADRM COc1cccc(F)c1[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187209519 1134314877 /nfs/dbraw/zinc/31/48/77/1134314877.db2.gz OUQZYJGPEGXULM-UHFFFAOYSA-N -1 0 341.429 3.575 20 0 EHADRM CCOC(=O)c1ccc(NC(=O)Nc2cccc(O)c2Cl)cc1 ZINC001187282572 1134319139 /nfs/dbraw/zinc/31/91/39/1134319139.db2.gz KLDZVRUQVFGNCA-UHFFFAOYSA-N -1 0 334.759 3.866 20 0 EHADRM Cc1oncc1S(=O)(=O)[N-]c1ccccc1Oc1ccc(C)cc1 ZINC001187369805 1134327523 /nfs/dbraw/zinc/32/75/23/1134327523.db2.gz XVGJVAOSQVXDQF-UHFFFAOYSA-N -1 0 344.392 3.885 20 0 EHADRM COc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c1C ZINC001187967434 1134411947 /nfs/dbraw/zinc/41/19/47/1134411947.db2.gz ZCTWAEZULDGENG-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM Cc1ccc([C@H](C)C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)o1 ZINC000746939438 1134449888 /nfs/dbraw/zinc/44/98/88/1134449888.db2.gz YWPNLHXELNFKKQ-NSHDSACASA-N -1 0 327.302 3.958 20 0 EHADRM O=S(=O)([N-]c1cncc(F)c1)c1ccc(-c2ccc(F)cc2)cc1 ZINC001188423546 1134461691 /nfs/dbraw/zinc/46/16/91/1134461691.db2.gz IHRWYDSDGPWNHW-UHFFFAOYSA-N -1 0 346.358 3.828 20 0 EHADRM O=C(N[C@H]1CCc2c1cccc2O)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188598759 1134480777 /nfs/dbraw/zinc/48/07/77/1134480777.db2.gz YPDAJHDRKQJHJR-ZDUSSCGKSA-N -1 0 337.297 3.534 20 0 EHADRM O=S(=O)([N-]c1cccc(F)c1OC1CCCCC1)c1ccoc1 ZINC001188614413 1134482071 /nfs/dbraw/zinc/48/20/71/1134482071.db2.gz XTYOVKIJHKLFJK-UHFFFAOYSA-N -1 0 339.388 3.931 20 0 EHADRM Cc1cc(NC(=O)c2ccc(O)c(C(F)(F)F)c2)c2cc[nH]c2n1 ZINC001188572918 1134483276 /nfs/dbraw/zinc/48/32/76/1134483276.db2.gz WXHCHELTSLTPMF-UHFFFAOYSA-N -1 0 335.285 3.800 20 0 EHADRM O=S(=O)([N-]c1cnc2c(cccc2C(F)(F)F)c1)c1ccoc1 ZINC001188579958 1134484120 /nfs/dbraw/zinc/48/41/20/1134484120.db2.gz OHNRXKGYTWRLOG-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM O=C(NCc1cc(F)c(F)c(F)c1)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188589315 1134485623 /nfs/dbraw/zinc/48/56/23/1134485623.db2.gz RJXFAAZTBOVBRX-UHFFFAOYSA-N -1 0 349.230 3.758 20 0 EHADRM C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)N2C(=O)c1ccncc1[O-] ZINC001188629355 1134490888 /nfs/dbraw/zinc/49/08/88/1134490888.db2.gz GVXOPCDULUDTLX-KNQAVFIVSA-N -1 0 342.398 3.804 20 0 EHADRM CCOC(=O)c1cccc(NC(=O)Nc2cccc(Cl)c2[O-])c1 ZINC001188670230 1134497685 /nfs/dbraw/zinc/49/76/85/1134497685.db2.gz VHTJKBBYNXISSD-UHFFFAOYSA-N -1 0 334.759 3.866 20 0 EHADRM O=C(NC[C@@H]1CCC2(CCCCC2)O1)c1ccc2[n-]c(=S)oc2c1 ZINC000791181797 1134517025 /nfs/dbraw/zinc/51/70/25/1134517025.db2.gz RQUSNZMNPXYLOO-ZDUSSCGKSA-N -1 0 346.452 3.728 20 0 EHADRM COc1cc2c(cc1[N-]S(=O)(=O)CC1CC1)oc1ccccc12 ZINC001188973302 1134527770 /nfs/dbraw/zinc/52/77/70/1134527770.db2.gz DMYYIMTWNVPCLS-UHFFFAOYSA-N -1 0 331.393 3.746 20 0 EHADRM Cc1cc(-c2ccccc2)ccc1NC(=O)C(=O)[N-]OC1CCCC1 ZINC000775223253 1134547227 /nfs/dbraw/zinc/54/72/27/1134547227.db2.gz DJWGHCJBWCMYET-UHFFFAOYSA-N -1 0 338.407 3.591 20 0 EHADRM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc3c(s2)CCCC3)c1 ZINC001189197458 1134551382 /nfs/dbraw/zinc/55/13/82/1134551382.db2.gz VTVWJCSCKDPYKE-UHFFFAOYSA-N -1 0 335.450 3.630 20 0 EHADRM Nc1c(-c2cccc(Cl)c2)cnn1-c1ccc(C(=O)[O-])cc1F ZINC001203282908 1134552798 /nfs/dbraw/zinc/55/27/98/1134552798.db2.gz BYBJBAJRILRBDS-UHFFFAOYSA-N -1 0 331.734 3.612 20 0 EHADRM CCOCCO[N-]C(=O)Cc1csc(-c2ccc(C(C)C)cc2)n1 ZINC000775232152 1134563501 /nfs/dbraw/zinc/56/35/01/1134563501.db2.gz GCQDTVVPLMBYDH-UHFFFAOYSA-N -1 0 348.468 3.560 20 0 EHADRM O=S(=O)(Cc1cccc(F)c1F)[N-]c1cc2ccccc2cc1O ZINC001189453284 1134589268 /nfs/dbraw/zinc/58/92/68/1134589268.db2.gz JGYAJVSVNBELDE-UHFFFAOYSA-N -1 0 349.358 3.766 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)c(C)c(F)c2)c1 ZINC001189610078 1134606129 /nfs/dbraw/zinc/60/61/29/1134606129.db2.gz AIHMGGPTVPRWBQ-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM CCCC[C@@H](CC)CC(=O)[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000775292148 1134616195 /nfs/dbraw/zinc/61/61/95/1134616195.db2.gz VOHMMGSDIGNGEL-CYBMUJFWSA-N -1 0 331.503 3.776 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccccc2)cc1Cl)c1ncc[nH]1 ZINC001190729701 1134743335 /nfs/dbraw/zinc/74/33/35/1134743335.db2.gz MDTHNTGLTYHCCK-UHFFFAOYSA-N -1 0 333.800 3.531 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)c1n[n-]c2ccccc2c1=O ZINC000792828103 1134797691 /nfs/dbraw/zinc/79/76/91/1134797691.db2.gz WNSJAMAOHQJHPY-KEYYUXOJSA-N -1 0 347.418 3.742 20 0 EHADRM CC(=O)c1sccc1[N-]S(=O)(=O)c1cccc2cc(C)cnc21 ZINC001191152760 1134803537 /nfs/dbraw/zinc/80/35/37/1134803537.db2.gz DPYAXVPGVCUIMY-UHFFFAOYSA-N -1 0 346.433 3.608 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2ncc3ccccc3n2)cc1 ZINC001191225488 1134829860 /nfs/dbraw/zinc/82/98/60/1134829860.db2.gz ZERYJVWOZKUVNV-UHFFFAOYSA-N -1 0 341.436 3.773 20 0 EHADRM CC(=O)c1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)CC1CCCC1 ZINC001191529453 1134880366 /nfs/dbraw/zinc/88/03/66/1134880366.db2.gz HDRLYCPFJDCKNL-UHFFFAOYSA-N -1 0 349.374 3.840 20 0 EHADRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cnc(C)cc1C ZINC001191663612 1134901496 /nfs/dbraw/zinc/90/14/96/1134901496.db2.gz QCFKIODNUQXCBH-UHFFFAOYSA-N -1 0 334.441 3.631 20 0 EHADRM COc1ncccc1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1Cl ZINC001191721402 1134905025 /nfs/dbraw/zinc/90/50/25/1134905025.db2.gz ARTNPEUILFMJMI-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cccc2c1COC2 ZINC001191701382 1134910169 /nfs/dbraw/zinc/91/01/69/1134910169.db2.gz GJMBPOGFPVUNNU-UHFFFAOYSA-N -1 0 347.436 3.650 20 0 EHADRM Cc1ncnc(C)c1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1Cl ZINC001191730637 1134913987 /nfs/dbraw/zinc/91/39/87/1134913987.db2.gz IIGOBOQKKBAHTC-UHFFFAOYSA-N -1 0 346.239 3.509 20 0 EHADRM [O-]c1c(Cl)cc(Cl)cc1/C=N/C[C@H]1COc2ccccc2O1 ZINC000005289921 1134919836 /nfs/dbraw/zinc/91/98/36/1134919836.db2.gz SRTPRZXBESNLPZ-QSEIOMAKSA-N -1 0 338.190 3.958 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(OC)c(C)c1 ZINC001191828121 1134932971 /nfs/dbraw/zinc/93/29/71/1134932971.db2.gz IZYXWUVDYCNQKR-UHFFFAOYSA-N -1 0 335.425 3.512 20 0 EHADRM Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3cnc(C)cn3)cc2)cc1 ZINC001192065142 1134964162 /nfs/dbraw/zinc/96/41/62/1134964162.db2.gz LXFFAMXQBUKSKH-UHFFFAOYSA-N -1 0 339.420 3.561 20 0 EHADRM O=C(Nc1ccc(OC(F)F)cc1)Nc1ccnc(Cl)c1[O-] ZINC001192149805 1134971449 /nfs/dbraw/zinc/97/14/49/1134971449.db2.gz ZZMOHDZXEKMWKG-UHFFFAOYSA-N -1 0 329.690 3.686 20 0 EHADRM Nc1cc2c(ccn2-c2ccc(C(=O)[O-])cc2F)c(Br)c1 ZINC001203293078 1135007913 /nfs/dbraw/zinc/00/79/13/1135007913.db2.gz CSNNXZACCXYUMI-UHFFFAOYSA-N -1 0 349.159 3.813 20 0 EHADRM Cc1cc(S(=O)(=O)Nc2cc(Cl)ccc2[S-])cnc1Cl ZINC001192568295 1135030345 /nfs/dbraw/zinc/03/03/45/1135030345.db2.gz DPZIQXMWDXTRIH-UHFFFAOYSA-N -1 0 349.264 3.786 20 0 EHADRM CCN(C(=O)c1c(F)ccc(F)c1[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC001192694958 1135046680 /nfs/dbraw/zinc/04/66/80/1135046680.db2.gz QEILJNMNLAJKQM-GFCCVEGCSA-N -1 0 349.377 3.772 20 0 EHADRM O=C(Nc1ccc(C2CCOCC2)cc1)c1c(F)ccc(F)c1[O-] ZINC001192705656 1135048907 /nfs/dbraw/zinc/04/89/07/1135048907.db2.gz CHDFSDQUHDWKEJ-UHFFFAOYSA-N -1 0 333.334 3.817 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cnccc2C2CCC2)c1 ZINC001192776221 1135053464 /nfs/dbraw/zinc/05/34/64/1135053464.db2.gz WDOIXLCNDQXBGB-UHFFFAOYSA-N -1 0 346.452 3.721 20 0 EHADRM CC1(C)CC(=O)Nc2c(NC(=O)c3c([O-])ccc(F)c3F)cccc21 ZINC001192769117 1135053556 /nfs/dbraw/zinc/05/35/56/1135053556.db2.gz JTOMKRIKUSZNEZ-UHFFFAOYSA-N -1 0 346.333 3.543 20 0 EHADRM Cc1cnn(-c2ccc(C)cc2)c1NC(=O)c1ccc(F)c(F)c1[O-] ZINC001192796290 1135055822 /nfs/dbraw/zinc/05/58/22/1135055822.db2.gz BJFXHDHIBWYANT-UHFFFAOYSA-N -1 0 343.333 3.725 20 0 EHADRM CN(CCc1ccc(F)cc1)C(=O)c1cc(Cl)nc(Cl)c1[O-] ZINC001193091749 1135105341 /nfs/dbraw/zinc/10/53/41/1135105341.db2.gz PMJLNNWDOYHWTH-UHFFFAOYSA-N -1 0 343.185 3.548 20 0 EHADRM CC(C)OC(=O)Nc1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC001193487256 1135142376 /nfs/dbraw/zinc/14/23/76/1135142376.db2.gz CMOBUPKQRLXUNB-UHFFFAOYSA-N -1 0 345.239 3.956 20 0 EHADRM O=C(Nc1ccc(OCC(F)(F)F)cc1)c1ccc(F)c([O-])c1F ZINC001193789722 1135181111 /nfs/dbraw/zinc/18/11/11/1135181111.db2.gz XQUOIMSMBNXBTN-UHFFFAOYSA-N -1 0 347.239 3.864 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cn1)c1ccc(-c2cccs2)cc1 ZINC001194131495 1135229776 /nfs/dbraw/zinc/22/97/76/1135229776.db2.gz ZIKMRZJPKMYBQU-UHFFFAOYSA-N -1 0 334.397 3.750 20 0 EHADRM CC(C)n1cnc([N-]S(=O)(=O)c2ccc(-c3cccs3)cc2)c1 ZINC001194145596 1135233477 /nfs/dbraw/zinc/23/34/77/1135233477.db2.gz JBGYDWHSIHZJES-UHFFFAOYSA-N -1 0 347.465 3.993 20 0 EHADRM Cn1[n-]c(C(=O)Nc2cc(O)c(C(C)(C)C)cc2C(C)(C)C)cc1=O ZINC001194201604 1135242320 /nfs/dbraw/zinc/24/23/20/1135242320.db2.gz MXUUNYNLTMQKOO-UHFFFAOYSA-N -1 0 345.443 3.679 20 0 EHADRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)N[C@H]1C[C@@H](C)c2ccccc21 ZINC001194277910 1135247934 /nfs/dbraw/zinc/24/79/34/1135247934.db2.gz UOUBQYWOXXJDQC-ACJLOTCBSA-N -1 0 347.418 3.865 20 0 EHADRM CC(=O)c1cccc(NC(=O)c2c(C)[n-]n(-c3ccccc3)c2=O)c1C ZINC001194276771 1135248150 /nfs/dbraw/zinc/24/81/50/1135248150.db2.gz NOEYBYVHJWZDTD-UHFFFAOYSA-N -1 0 349.390 3.650 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cccc(-n2cccn2)c1 ZINC000805257064 1135253793 /nfs/dbraw/zinc/25/37/93/1135253793.db2.gz OWVWRKPYOODLCY-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1C ZINC001194301636 1135254799 /nfs/dbraw/zinc/25/47/99/1135254799.db2.gz ULLVVHNIJYDPBM-UHFFFAOYSA-N -1 0 344.358 3.826 20 0 EHADRM Cc1cccnc1[N-]S(=O)(=O)c1cccc2c(Cl)cccc21 ZINC001194404542 1135265242 /nfs/dbraw/zinc/26/52/42/1135265242.db2.gz SHLMAFAFHLGFTN-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1cnc2c(F)cccc2c1 ZINC001194609639 1135286469 /nfs/dbraw/zinc/28/64/69/1135286469.db2.gz BNQPVDWTWIICCO-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ncccc2C(F)(F)F)cc(C)c1C ZINC001194572783 1135287469 /nfs/dbraw/zinc/28/74/69/1135287469.db2.gz YQJMKHOTQQDYIU-UHFFFAOYSA-N -1 0 344.358 3.826 20 0 EHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1cnc(C(F)(F)F)cc1C ZINC001194605132 1135292372 /nfs/dbraw/zinc/29/23/72/1135292372.db2.gz LFVJJGWYNCYLEH-UHFFFAOYSA-N -1 0 344.358 3.826 20 0 EHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1cc(-c2ccccc2)nn1C ZINC001194605235 1135292700 /nfs/dbraw/zinc/29/27/00/1135292700.db2.gz OBBSVOYMXCTMNF-UHFFFAOYSA-N -1 0 341.436 3.505 20 0 EHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1cc(-c2ccc(F)cc2)no1 ZINC001194605669 1135292827 /nfs/dbraw/zinc/29/28/27/1135292827.db2.gz QEOQAEXHMBSVPM-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2c(C)cccc2C)c2ncccc12 ZINC001194645163 1135296478 /nfs/dbraw/zinc/29/64/78/1135296478.db2.gz YWZQDQYOBAYGTJ-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2nc3c(cccc3O)s2)c1 ZINC001195108864 1135369606 /nfs/dbraw/zinc/36/96/06/1135369606.db2.gz SDZRMOCDNAGMAE-UHFFFAOYSA-N -1 0 348.449 3.926 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2ncc3ccccc3n2)c1 ZINC001195116086 1135371334 /nfs/dbraw/zinc/37/13/34/1135371334.db2.gz LWJNALKEPHNUAI-UHFFFAOYSA-N -1 0 327.409 3.554 20 0 EHADRM COc1cc(Cl)cnc1[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC001195277059 1135403706 /nfs/dbraw/zinc/40/37/06/1135403706.db2.gz CZNMRFFPXZCTAD-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM Cc1noc2ccc([N-]S(=O)(=O)c3c(C)cccc3Cl)cc12 ZINC001195308037 1135411081 /nfs/dbraw/zinc/41/10/81/1135411081.db2.gz CKPQGARESFJXCJ-UHFFFAOYSA-N -1 0 336.800 3.899 20 0 EHADRM CC(=O)Nc1c(C)cccc1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000805255536 1135417705 /nfs/dbraw/zinc/41/77/05/1135417705.db2.gz RBMAATRUYNTQKI-UHFFFAOYSA-N -1 0 336.750 3.704 20 0 EHADRM CCOC(=O)[C@@H]1CC[C@H](C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC000867117437 1135418035 /nfs/dbraw/zinc/41/80/35/1135418035.db2.gz DUQXJQORYJHTEY-DTWKUNHWSA-N -1 0 346.210 3.617 20 0 EHADRM Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1cccc(Cl)c1[O-] ZINC000775660792 1135437847 /nfs/dbraw/zinc/43/78/47/1135437847.db2.gz ZBXZPXTYUBSAFF-UHFFFAOYSA-N -1 0 344.798 3.955 20 0 EHADRM O=C(Nc1ccc(-n2ccnc2)c(F)c1)c1cccc(Cl)c1[O-] ZINC000775666060 1135442298 /nfs/dbraw/zinc/44/22/98/1135442298.db2.gz RJEMZUMXQZZBBP-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)c1cccc(Cl)c1[O-] ZINC000775671316 1135460935 /nfs/dbraw/zinc/46/09/35/1135460935.db2.gz BPDHKZHXBVGJDB-KSSFIOAISA-N -1 0 345.826 3.943 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000775669630 1135466557 /nfs/dbraw/zinc/46/65/57/1135466557.db2.gz MONVGCOPJMDQDF-OAHLLOKOSA-N -1 0 345.826 3.867 20 0 EHADRM CCOC(=O)N(C)c1ccc(NC(=O)c2cccc(Cl)c2[O-])cc1 ZINC000775670587 1135468974 /nfs/dbraw/zinc/46/89/74/1135468974.db2.gz NMPUWHBRDOUYNE-UHFFFAOYSA-N -1 0 348.786 3.891 20 0 EHADRM O=S(=O)([N-]c1ccccc1OC1CCCC1)c1ccc(O)cc1 ZINC001195795059 1135470350 /nfs/dbraw/zinc/47/03/50/1135470350.db2.gz XWXLOUZIJYVWIF-UHFFFAOYSA-N -1 0 333.409 3.514 20 0 EHADRM COC(=O)c1cccc(NC(=S)Nc2cccc(Cl)c2[O-])c1 ZINC001195841831 1135480099 /nfs/dbraw/zinc/48/00/99/1135480099.db2.gz UAVFEXCDCPQYHJ-UHFFFAOYSA-N -1 0 336.800 3.641 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)cc1C ZINC000775679377 1135503753 /nfs/dbraw/zinc/50/37/53/1135503753.db2.gz YTKZIJSDOMKFRR-ZWLSGLHFSA-N -1 0 337.420 3.714 20 0 EHADRM O=C(NCc1ccnc(Oc2ccccc2)c1)c1cccc(F)c1[O-] ZINC001130786046 1135504267 /nfs/dbraw/zinc/50/42/67/1135504267.db2.gz CKGRUBDGYIXMID-UHFFFAOYSA-N -1 0 338.338 3.649 20 0 EHADRM O=C([N-]c1cc(Cl)nnc1Cl)c1snc(Cl)c1Cl ZINC001196333291 1135547282 /nfs/dbraw/zinc/54/72/82/1135547282.db2.gz DBOJJUPEPMSDMD-UHFFFAOYSA-N -1 0 344.010 3.799 20 0 EHADRM CCN(C(=O)c1cc(Cl)ncc1[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC001196387402 1135553453 /nfs/dbraw/zinc/55/34/53/1135553453.db2.gz OMECDKCNINBYBG-LBPRGKRZSA-N -1 0 348.830 3.543 20 0 EHADRM CCn1cc([N-]S(=O)(=O)c2ccc3cc(Cl)ccc3c2)cn1 ZINC001196414634 1135560709 /nfs/dbraw/zinc/56/07/09/1135560709.db2.gz RVJKERPIWPLUSF-UHFFFAOYSA-N -1 0 335.816 3.510 20 0 EHADRM O=S(=O)([N-]c1cncc(F)c1)c1ccc2cc(Cl)ccc2c1 ZINC001196414927 1135561033 /nfs/dbraw/zinc/56/10/33/1135561033.db2.gz WEMJOLPQVTVLJS-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM [O-]c1c(F)c(F)ccc1NC(=S)NCc1ccccc1Cl ZINC001196831295 1135615411 /nfs/dbraw/zinc/61/54/11/1135615411.db2.gz RAOHYHOFTUMMTE-UHFFFAOYSA-N -1 0 328.771 3.810 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2cnc(Cl)c(Cl)c2)cc1 ZINC001197075647 1135647404 /nfs/dbraw/zinc/64/74/04/1135647404.db2.gz RNCHLLIKXHETQQ-UHFFFAOYSA-N -1 0 342.207 3.896 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2cc(C3CCCC3)no2)cc1 ZINC001197076114 1135647406 /nfs/dbraw/zinc/64/74/06/1135647406.db2.gz YCZPHLIPMZXICX-UHFFFAOYSA-N -1 0 331.397 3.839 20 0 EHADRM CN(C(=S)Nc1ccc(C(=O)[O-])cc1)[C@@H]1CCc2ccccc21 ZINC001197107195 1135650331 /nfs/dbraw/zinc/65/03/31/1135650331.db2.gz JCLIHOBQNCKZJN-MRXNPFEDSA-N -1 0 326.421 3.701 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2cccc(OC(F)F)c2)cc1 ZINC001197113198 1135650798 /nfs/dbraw/zinc/65/07/98/1135650798.db2.gz PIDXGJRLBJOHOU-UHFFFAOYSA-N -1 0 338.335 3.795 20 0 EHADRM CC(=O)c1ccc(NC(=S)Nc2ccc(C(=O)[O-])cc2)c(F)c1 ZINC001197112005 1135650858 /nfs/dbraw/zinc/65/08/58/1135650858.db2.gz JFFYMTLDBFYGOP-UHFFFAOYSA-N -1 0 332.356 3.535 20 0 EHADRM CC(C)Oc1ccccc1NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197112432 1135650897 /nfs/dbraw/zinc/65/08/97/1135650897.db2.gz DXQFGZONWLKSJV-UHFFFAOYSA-N -1 0 330.409 3.981 20 0 EHADRM Cc1cc2nsnc2cc1NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197116135 1135651404 /nfs/dbraw/zinc/65/14/04/1135651404.db2.gz PJROPNXRJVFYEQ-UHFFFAOYSA-N -1 0 344.421 3.507 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NCc2ccccc2C(F)F)cc1 ZINC001197121869 1135652177 /nfs/dbraw/zinc/65/21/77/1135652177.db2.gz RJXDLAJYNGXATJ-UHFFFAOYSA-N -1 0 336.363 3.809 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N[C@H]2C[C@H]2c2ccc(Cl)cc2)cc1 ZINC001197147784 1135653842 /nfs/dbraw/zinc/65/38/42/1135653842.db2.gz QELGUNXOJIDDMZ-GJZGRUSLSA-N -1 0 346.839 3.881 20 0 EHADRM Cc1c(NC(=O)c2cccc(Cl)c2[O-])cccc1N1CCOC1=O ZINC000775765000 1135667214 /nfs/dbraw/zinc/66/72/14/1135667214.db2.gz XMJHHFHOCLKVOM-UHFFFAOYSA-N -1 0 346.770 3.563 20 0 EHADRM COc1cc(Cl)ccc1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC001197599614 1135713239 /nfs/dbraw/zinc/71/32/39/1135713239.db2.gz DCYOGYDEDLIHOT-UHFFFAOYSA-N -1 0 347.770 3.569 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(C)c(Cl)c2)cn1 ZINC001198305166 1135797412 /nfs/dbraw/zinc/79/74/12/1135797412.db2.gz DYDLRKJALXLBND-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM Cc1ncc(S(=O)(=O)[N-]c2ccc(-c3ccc(C)cc3)cc2)n1C ZINC001198399466 1135810670 /nfs/dbraw/zinc/81/06/70/1135810670.db2.gz AEACISTYHIIYGX-UHFFFAOYSA-N -1 0 341.436 3.505 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccccc2Oc2ccccc2)nc1 ZINC001198432678 1135813913 /nfs/dbraw/zinc/81/39/13/1135813913.db2.gz SYIFOVCDZVYFAM-UHFFFAOYSA-N -1 0 340.404 3.983 20 0 EHADRM Cc1cc(Br)cnc1Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203316359 1135828437 /nfs/dbraw/zinc/82/84/37/1135828437.db2.gz KTYREJKOHCIURM-UHFFFAOYSA-N -1 0 343.127 3.873 20 0 EHADRM CCC(CC)[C@@H](CCNC(=O)c1ccc2[n-]c(=S)oc2c1)OC ZINC000747555541 1135830482 /nfs/dbraw/zinc/83/04/82/1135830482.db2.gz RRESDJSLAOQVTP-CQSZACIVSA-N -1 0 336.457 3.688 20 0 EHADRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198816694 1135859233 /nfs/dbraw/zinc/85/92/33/1135859233.db2.gz MNNLDYMOTFTXTB-UHFFFAOYSA-N -1 0 335.356 3.771 20 0 EHADRM O=C(Nc1c(Cl)ccc([O-])c1Cl)c1cncc(OC(F)F)c1 ZINC001199298246 1135893309 /nfs/dbraw/zinc/89/33/09/1135893309.db2.gz KOMBGNAWYLFEAO-UHFFFAOYSA-N -1 0 349.120 3.948 20 0 EHADRM O=C(Nc1ccc(F)c(O)c1)c1cc(-c2ccccc2)cnc1F ZINC001199730280 1135923603 /nfs/dbraw/zinc/92/36/03/1135923603.db2.gz ZOXCWUYNVOFOKN-UHFFFAOYSA-N -1 0 326.302 3.985 20 0 EHADRM Cc1cc(C)nc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)c1 ZINC001201244953 1135998951 /nfs/dbraw/zinc/99/89/51/1135998951.db2.gz XFTGGTBKXDIRTK-UHFFFAOYSA-N -1 0 349.214 3.945 20 0 EHADRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1cccc2occc21 ZINC001201763564 1136061068 /nfs/dbraw/zinc/06/10/68/1136061068.db2.gz APEWZBGIDOIPCX-UHFFFAOYSA-N -1 0 328.802 3.652 20 0 EHADRM CC(C)OCc1cc(NC(=O)c2cccc(Cl)c2[O-])ccc1O ZINC000811596860 1136109671 /nfs/dbraw/zinc/10/96/71/1136109671.db2.gz XONOFYVPGOSFAD-UHFFFAOYSA-N -1 0 335.787 3.929 20 0 EHADRM COc1ccc(NC(=O)Nc2c(Cl)c(F)[n-]c(=O)c2Cl)cc1 ZINC001202386162 1136131560 /nfs/dbraw/zinc/13/15/60/1136131560.db2.gz NFUKZCRVPYJSMQ-UHFFFAOYSA-N -1 0 346.145 3.886 20 0 EHADRM CCC(=O)Nc1ccc(NC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000811818066 1136144861 /nfs/dbraw/zinc/14/48/61/1136144861.db2.gz YIKLQOQBMOEAMP-UHFFFAOYSA-N -1 0 346.770 3.639 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2n[nH]c3ccccc32)s1 ZINC000747762857 1136169272 /nfs/dbraw/zinc/16/92/72/1136169272.db2.gz IBTGEOPVFZPPLB-UHFFFAOYSA-N -1 0 335.454 3.723 20 0 EHADRM O=S(=O)([N-]c1ccc(OC(F)(F)F)c(Cl)c1)C(F)(F)F ZINC001252267884 1136188684 /nfs/dbraw/zinc/18/86/84/1136188684.db2.gz QTZWGFQNBQUDRJ-UHFFFAOYSA-N -1 0 343.632 3.500 20 0 EHADRM CCOC(=O)/C(=C/c1ccc(C(=O)[O-])cc1)c1ccncc1Cl ZINC000812245162 1136189036 /nfs/dbraw/zinc/18/90/36/1136189036.db2.gz QTQPCCKUNRBWTP-NTEUORMPSA-N -1 0 331.755 3.537 20 0 EHADRM Cc1cc(Cl)cnc1[N-]S(=O)(=O)c1cccc(C(F)F)c1 ZINC000812340352 1136200388 /nfs/dbraw/zinc/20/03/88/1136200388.db2.gz WWEJULLTSPLTHN-UHFFFAOYSA-N -1 0 332.759 3.782 20 0 EHADRM CC(C)COc1ccc(C2(C(=O)[N-]OC/C=C/Cl)CCC2)cc1 ZINC000812406891 1136209076 /nfs/dbraw/zinc/20/90/76/1136209076.db2.gz DZFALUXXFQQMES-NYYWCZLTSA-N -1 0 337.847 3.943 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@H](C)CC(C)(C)C)c(F)c1F ZINC000813193080 1136302031 /nfs/dbraw/zinc/30/20/31/1136302031.db2.gz BGIIMNZLGGEJQT-JTQLQIEISA-N -1 0 347.427 3.541 20 0 EHADRM CCSc1cccc(F)c1[N-]C(=O)c1cnn(-c2ccccc2)n1 ZINC000813306108 1136316833 /nfs/dbraw/zinc/31/68/33/1136316833.db2.gz UEDIGIZWWXHHBI-UHFFFAOYSA-N -1 0 342.399 3.771 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H]1CCCC2(CC2)C1 ZINC000851043476 1136331552 /nfs/dbraw/zinc/33/15/52/1136331552.db2.gz OLISFKAPTLSNNY-JKSUJKDBSA-N -1 0 335.469 3.554 20 0 EHADRM CCC[C@H](C(=O)[N-]S(=O)(=O)C1(CC)CC1)c1ccc(Cl)cc1 ZINC000851056358 1136332903 /nfs/dbraw/zinc/33/29/03/1136332903.db2.gz LCZSDWSPJUCLGH-AWEZNQCLSA-N -1 0 343.876 3.612 20 0 EHADRM O=C(O[C@H]1C[C@H]([N-]C(=O)C(F)(F)F)c2ccccc21)C1=CCCC1 ZINC000851176051 1136346377 /nfs/dbraw/zinc/34/63/77/1136346377.db2.gz MPHYUKLTESYGRI-KBPBESRZSA-N -1 0 339.313 3.505 20 0 EHADRM CC1(CC(=O)O[C@H]2C[C@H]([N-]C(=O)C(F)(F)F)c3ccccc32)CC1 ZINC000851179778 1136347424 /nfs/dbraw/zinc/34/74/24/1136347424.db2.gz WQQHPSQHXQQTOY-STQMWFEESA-N -1 0 341.329 3.584 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H]1CCCC[C@H]1CC ZINC000814015083 1136386533 /nfs/dbraw/zinc/38/65/33/1136386533.db2.gz SGRFLCHOUJGWJF-DJIMGWMZSA-N -1 0 337.485 3.800 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@H]1CCC[C@H](C)C1 ZINC000814015476 1136386644 /nfs/dbraw/zinc/38/66/44/1136386644.db2.gz XEWFPYBXRULWOQ-YQQAZPJKSA-N -1 0 337.485 3.800 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1ccc(/C=C/C(=O)[O-])o1)c1ccccc1 ZINC000851593745 1136395078 /nfs/dbraw/zinc/39/50/78/1136395078.db2.gz CJENDUVSXNDRGZ-PXUDHTSWSA-N -1 0 327.380 3.547 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N2CCCC[C@H]2Cc2ccccc2)o1 ZINC000851593618 1136395104 /nfs/dbraw/zinc/39/51/04/1136395104.db2.gz BDMSTRRZLWPSOR-DMIOIOJGSA-N -1 0 339.391 3.615 20 0 EHADRM COC1(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CCC(F)(F)CC1 ZINC000851592818 1136395140 /nfs/dbraw/zinc/39/51/40/1136395140.db2.gz DTLYVYRWEQTHFU-UHFFFAOYSA-N -1 0 347.745 3.571 20 0 EHADRM Cc1ccc(CN(C(=O)c2ccc(/C=C\C(=O)[O-])o2)C(C)C)s1 ZINC000851595185 1136395455 /nfs/dbraw/zinc/39/54/55/1136395455.db2.gz OLJPDUYQHIIEPL-TWGQIWQCSA-N -1 0 333.409 3.798 20 0 EHADRM Cc1c(NC(=O)c2ccc(/C=C\C(=O)[O-])o2)sc2c1CCCC2 ZINC000851594869 1136395529 /nfs/dbraw/zinc/39/55/29/1136395529.db2.gz MEPBGEQLCPQULG-CLFYSBASSA-N -1 0 331.393 3.878 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cccc(SC(F)(F)F)c1 ZINC000851598036 1136395537 /nfs/dbraw/zinc/39/55/37/1136395537.db2.gz ITKXRMSVNYENAG-ZDUSSCGKSA-N -1 0 335.347 3.672 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C1CCC2(CC2)CC1)c1ccc(F)cc1F ZINC000851602076 1136395816 /nfs/dbraw/zinc/39/58/16/1136395816.db2.gz XJXDMYOHRSBXQJ-OAHLLOKOSA-N -1 0 337.366 3.567 20 0 EHADRM CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1sc(C)cc1C ZINC000814211393 1136422439 /nfs/dbraw/zinc/42/24/39/1136422439.db2.gz CCPXSKDUGYFVGC-UHFFFAOYSA-N -1 0 327.402 3.507 20 0 EHADRM CCCCCCOCc1cccc(NC(=O)C2(C(=O)[O-])CCC2)c1 ZINC000852946797 1136493854 /nfs/dbraw/zinc/49/38/54/1136493854.db2.gz ADJIYFFEQUBXMH-UHFFFAOYSA-N -1 0 333.428 3.977 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1coc2ccccc12)c1ccc(F)cc1F ZINC000776659455 1136527396 /nfs/dbraw/zinc/52/73/96/1136527396.db2.gz QFHGWVWBQOVKSE-OAHLLOKOSA-N -1 0 345.301 3.657 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2F)c(C)s1 ZINC000776656356 1136528379 /nfs/dbraw/zinc/52/83/79/1136528379.db2.gz BUGZRODSMMFJFG-AWEZNQCLSA-N -1 0 339.363 3.589 20 0 EHADRM CCN(C(=O)c1ccc([O-])c(Cl)c1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000854566415 1136628566 /nfs/dbraw/zinc/62/85/66/1136628566.db2.gz WGOLULKWTQGTDQ-YVEFUNNKSA-N -1 0 333.815 3.630 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CCC[C@H](O)c2ccccc2)c1 ZINC000854576087 1136629012 /nfs/dbraw/zinc/62/90/12/1136629012.db2.gz JIFQRWCERIRIIW-SFHVURJKSA-N -1 0 341.407 3.827 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CC1CC(C)(C)C1 ZINC000816112008 1136677563 /nfs/dbraw/zinc/67/75/63/1136677563.db2.gz LCEZUANNWWAGDL-KRWDZBQOSA-N -1 0 337.485 3.656 20 0 EHADRM Cc1ccc(F)c(C(=O)[N-]S(=O)(=O)[C@@H](c2ccccc2)C(C)C)c1 ZINC000816112943 1136677647 /nfs/dbraw/zinc/67/76/47/1136677647.db2.gz GREONMLHEZUCQN-QGZVFWFLSA-N -1 0 349.427 3.591 20 0 EHADRM CCC[C@@H](C)CC(=O)[N-]S(=O)(=O)[C@@H](c1ccccc1)C(C)C ZINC000816110763 1136677693 /nfs/dbraw/zinc/67/76/93/1136677693.db2.gz ICYWBXKPXNNFFV-RHSMWYFYSA-N -1 0 325.474 3.656 20 0 EHADRM Cc1oc(C)c(C(=O)[N-]S(=O)(=O)[C@H](c2ccccc2)C(C)C)c1C ZINC000816112795 1136677719 /nfs/dbraw/zinc/67/77/19/1136677719.db2.gz CJOPGFJUFBLXRJ-KRWDZBQOSA-N -1 0 349.452 3.662 20 0 EHADRM CC(C)c1ccc2c(c1)CN(C(=O)c1n[n-]c3ccccc3c1=O)CC2 ZINC000855382238 1136692846 /nfs/dbraw/zinc/69/28/46/1136692846.db2.gz KLHDZUURYBEAFA-UHFFFAOYSA-N -1 0 347.418 3.657 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000113696743 1136734370 /nfs/dbraw/zinc/73/43/70/1136734370.db2.gz QXPNMDYWMGDJSA-ROUUACIJSA-N -1 0 345.464 3.578 20 0 EHADRM O=C(Nc1c(=O)[nH][n-]c1-c1ccccc1)c1nc(Cl)ccc1Cl ZINC000816752300 1136751685 /nfs/dbraw/zinc/75/16/85/1136751685.db2.gz YJJBCHLILMSSAU-UHFFFAOYSA-N -1 0 349.177 3.736 20 0 EHADRM O=C(N[C@H]1CCCOc2ccccc21)c1ccc2oc(=S)[n-]c2c1 ZINC000816913667 1136765813 /nfs/dbraw/zinc/76/58/13/1136765813.db2.gz PSICJGRSIXZLAM-ZDUSSCGKSA-N -1 0 340.404 3.760 20 0 EHADRM O=C(N[C@H]1CCCc2sccc21)c1ccc2oc(=S)[n-]c2c1 ZINC000816972051 1136768633 /nfs/dbraw/zinc/76/86/33/1136768633.db2.gz ZXXWDDPVOIDQAH-NSHDSACASA-N -1 0 330.434 3.985 20 0 EHADRM O=C(Nc1ccc2[nH]c(=S)[nH]c2c1)c1ccc2oc(=S)[n-]c2c1 ZINC000816965314 1136770382 /nfs/dbraw/zinc/77/03/82/1136770382.db2.gz DBXQRQUKGWFESU-UHFFFAOYSA-N -1 0 342.405 3.534 20 0 EHADRM CC(C)(C(=O)[N-]OCC1CCC1)c1csc(-c2cccs2)n1 ZINC000856351625 1136779760 /nfs/dbraw/zinc/77/97/60/1136779760.db2.gz LSBSOZMRTVCWPG-UHFFFAOYSA-N -1 0 336.482 3.997 20 0 EHADRM CC(C)(Sc1ccc(Br)cc1)C(=O)[N-]OCC1CC1 ZINC000817324678 1136797155 /nfs/dbraw/zinc/79/71/55/1136797155.db2.gz MJPZWKBCYDCNIX-UHFFFAOYSA-N -1 0 344.274 3.778 20 0 EHADRM Cc1cc([N-]S(=O)(=O)/C=C\c2ccc(Cl)cc2)nn1C(C)C ZINC000817357896 1136798425 /nfs/dbraw/zinc/79/84/25/1136798425.db2.gz ORDDCJADXZMDRF-HJWRWDBZSA-N -1 0 339.848 3.838 20 0 EHADRM CCCOc1ccc(CNC(=O)c2ccc(Cl)c([O-])c2)cc1OC ZINC001136088570 1136852733 /nfs/dbraw/zinc/85/27/33/1136852733.db2.gz UCPOSBYNWIKHCC-UHFFFAOYSA-N -1 0 349.814 3.773 20 0 EHADRM CCc1cccc(C(=O)N(OC)[C@H]2CCCOc3ccccc32)c1O ZINC000857470535 1136874407 /nfs/dbraw/zinc/87/44/07/1136874407.db2.gz JNMFVIGRGLTKLV-KRWDZBQOSA-N -1 0 341.407 3.872 20 0 EHADRM CC(C)(CCNc1nc(C(F)(F)F)nc2ccccc21)C(=O)[O-] ZINC000818618518 1136886027 /nfs/dbraw/zinc/88/60/27/1136886027.db2.gz OZQTVIGYNWIGFH-UHFFFAOYSA-N -1 0 327.306 3.561 20 0 EHADRM O=C(Nc1nc(CC(F)(F)F)cs1)c1c([O-])cccc1Cl ZINC000819295748 1136928354 /nfs/dbraw/zinc/92/83/54/1136928354.db2.gz HANSDJZSUNTYJP-UHFFFAOYSA-N -1 0 336.722 3.859 20 0 EHADRM Cc1ccc(-c2csc(NC(=O)c3ncccc3[O-])n2)cc1C ZINC001136350245 1136997024 /nfs/dbraw/zinc/99/70/24/1136997024.db2.gz DJIWWESCJDUGBM-UHFFFAOYSA-N -1 0 325.393 3.780 20 0 EHADRM CC(C)[C@@]1(CO)CCCN(C(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000820741771 1137004561 /nfs/dbraw/zinc/00/45/61/1137004561.db2.gz VLGHNYJPQONYKL-INIZCTEOSA-N -1 0 346.254 3.570 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)n2)c(C)c1 ZINC000116601144 1137007943 /nfs/dbraw/zinc/00/79/43/1137007943.db2.gz ICKLICYBJXHPLZ-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM Cc1ccc(O)c([N-]S(=O)(=O)c2csnc2-c2ccccc2)c1 ZINC000821185921 1137018827 /nfs/dbraw/zinc/01/88/27/1137018827.db2.gz SEQRJRNNMKAWKE-UHFFFAOYSA-N -1 0 346.433 3.625 20 0 EHADRM CC[C@H](C(=O)[N-]OCC(F)(F)F)c1ccc(Br)cc1 ZINC000860201467 1137049083 /nfs/dbraw/zinc/04/90/83/1137049083.db2.gz LDZCOZGMGSGMSI-JTQLQIEISA-N -1 0 340.139 3.553 20 0 EHADRM O=C(c1cc(Br)c(F)cc1[O-])N1CCCCCCC1 ZINC000822307994 1137056190 /nfs/dbraw/zinc/05/61/90/1137056190.db2.gz HWFRFEJYBJOOQQ-UHFFFAOYSA-N -1 0 330.197 3.700 20 0 EHADRM CCCCOC(=O)c1ccc(NC(=O)CC2(C(=O)[O-])CCCC2)cc1 ZINC000013251903 1137060392 /nfs/dbraw/zinc/06/03/92/1137060392.db2.gz QDRXWSGDLXQGEQ-UHFFFAOYSA-N -1 0 347.411 3.617 20 0 EHADRM O=C(Cc1csc(C2CC2)n1)Nc1cc(Cl)c([O-])cc1F ZINC000822921105 1137079317 /nfs/dbraw/zinc/07/93/17/1137079317.db2.gz AHWCPYNXISIEOJ-UHFFFAOYSA-N -1 0 326.780 3.700 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1cc2cc(Cl)ccc2o1 ZINC000013449542 1137085785 /nfs/dbraw/zinc/08/57/85/1137085785.db2.gz YWUMKXLZIPYVRN-UHFFFAOYSA-N -1 0 341.750 3.987 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N3CC[C@@](C(=O)[O-])(C(C)C)C3)[nH]c2c1 ZINC000823354297 1137095937 /nfs/dbraw/zinc/09/59/37/1137095937.db2.gz BHDIEKPFQDBELR-FQEVSTJZSA-N -1 0 342.439 3.864 20 0 EHADRM CN(C[C@@H]1CC1(C)C)C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000824774376 1137151217 /nfs/dbraw/zinc/15/12/17/1137151217.db2.gz WVUHSHSTSHGMRE-ZDUSSCGKSA-N -1 0 327.380 3.583 20 0 EHADRM O=C(N[C@H](c1ccccn1)C1CCC1)c1ccc2oc(=S)[n-]c2c1 ZINC000862748267 1137155824 /nfs/dbraw/zinc/15/58/24/1137155824.db2.gz ZQDOYCIDVDLSSK-INIZCTEOSA-N -1 0 339.420 3.783 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000824963921 1137159484 /nfs/dbraw/zinc/15/94/84/1137159484.db2.gz YCYUVWMVGPCVAH-OLZOCXBDSA-N -1 0 329.421 3.887 20 0 EHADRM CCCc1ccc(CCCC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC000844155078 1137200069 /nfs/dbraw/zinc/20/00/69/1137200069.db2.gz HSEUVIOXQLCPAI-YJBOKZPZSA-N -1 0 331.456 3.531 20 0 EHADRM Cc1ccc2[nH+]cc(C(=O)[O-])c(N3CC[C@H](c4ccccn4)C3)c2c1 ZINC000844209114 1137204376 /nfs/dbraw/zinc/20/43/76/1137204376.db2.gz SYMGBMWIIWDFBR-AWEZNQCLSA-N -1 0 333.391 3.630 20 0 EHADRM C[C@]1(CCNC(=O)CC2(C(=O)[O-])CCCCCC2)C[C@@]1(F)Cl ZINC000844268869 1137207610 /nfs/dbraw/zinc/20/76/10/1137207610.db2.gz SEPYTFYPDLYQMP-HOCLYGCPSA-N -1 0 333.831 3.623 20 0 EHADRM CC[C@H](NC(=O)N1C2CCC1(C(=O)[O-])CC2)c1cc(C)ccc1C ZINC000864058042 1137213424 /nfs/dbraw/zinc/21/34/24/1137213424.db2.gz QSAVMLZLNBOYTC-RCDNUKIMSA-N -1 0 330.428 3.546 20 0 EHADRM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000864100227 1137215134 /nfs/dbraw/zinc/21/51/34/1137215134.db2.gz SLUIRIALQUTGDC-IEZBTEQYSA-N -1 0 339.391 3.818 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N2CCCC[C@H]2Cc2ccccc2)o1 ZINC000864107417 1137215510 /nfs/dbraw/zinc/21/55/10/1137215510.db2.gz IJWGSTUMLUYRDV-TYZQSYOASA-N -1 0 339.391 3.615 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)[C@@]23C[C@@H]2CCCC3)c1 ZINC000864122906 1137216300 /nfs/dbraw/zinc/21/63/00/1137216300.db2.gz CEHKBNJXIOUETK-KSSFIOAISA-N -1 0 333.453 3.913 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)C2(c3ccccc3)CCCCCC2)CC1 ZINC000864130332 1137216528 /nfs/dbraw/zinc/21/65/28/1137216528.db2.gz IGESYNWCBUBCFX-UHFFFAOYSA-N -1 0 343.467 3.992 20 0 EHADRM CCC[C@@H](C(=O)N1CCC(C)(C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000864132988 1137216621 /nfs/dbraw/zinc/21/66/21/1137216621.db2.gz XPUPCJVNSWEJQG-OAHLLOKOSA-N -1 0 337.847 3.937 20 0 EHADRM CCCC[C@@H](NC(=O)Cc1csc2sc(C)cc12)C(=O)[O-] ZINC000864133655 1137216757 /nfs/dbraw/zinc/21/67/57/1137216757.db2.gz WGAVXXXKGCMUGN-GFCCVEGCSA-N -1 0 325.455 3.573 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cc3c(cccc3C3CC3)[nH]2)C1 ZINC000864131991 1137216804 /nfs/dbraw/zinc/21/68/04/1137216804.db2.gz HGCPIYJJWOMFBU-ZDUSSCGKSA-N -1 0 340.423 3.762 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC000864132680 1137216808 /nfs/dbraw/zinc/21/68/08/1137216808.db2.gz VDBDGALETKGTNT-DLBZAZTESA-N -1 0 335.419 3.861 20 0 EHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)/C=C/c1ccsc1C(F)(F)F ZINC000864140470 1137216831 /nfs/dbraw/zinc/21/68/31/1137216831.db2.gz AWFGNYJONMBOTE-ISZGNANSSA-N -1 0 349.374 3.786 20 0 EHADRM O=C([O-])CC1(NC(=O)/C=C\c2ccsc2C(F)(F)F)CCCC1 ZINC000864142762 1137216948 /nfs/dbraw/zinc/21/69/48/1137216948.db2.gz PREMIZDNOLNUSV-ARJAWSKDSA-N -1 0 347.358 3.684 20 0 EHADRM Cc1ccc(SC2CCCC2)c(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)c1 ZINC000864166139 1137217615 /nfs/dbraw/zinc/21/76/15/1137217615.db2.gz KVDXXJSRLLONCL-CQSZACIVSA-N -1 0 345.464 3.933 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)/C=C/c1ccsc1C(F)(F)F ZINC000864160280 1137217723 /nfs/dbraw/zinc/21/77/23/1137217723.db2.gz VGJLWERMEPZPNK-PVTPVBHGSA-N -1 0 347.358 3.540 20 0 EHADRM Cc1cc(CNC(=O)[C@@](C)(Cc2ccccc2)C(C)C)oc1C(=O)[O-] ZINC000864190945 1137218724 /nfs/dbraw/zinc/21/87/24/1137218724.db2.gz SPMCUDUXLPCBKF-FQEVSTJZSA-N -1 0 343.423 3.807 20 0 EHADRM CCCC(C)(C)C(=O)N1CCC(c2nc(C)c(C(=O)[O-])s2)CC1 ZINC000864224735 1137219101 /nfs/dbraw/zinc/21/91/01/1137219101.db2.gz GCOBGYLNKWWBFB-UHFFFAOYSA-N -1 0 338.473 3.682 20 0 EHADRM CCC[C@@H](C(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000864211385 1137219137 /nfs/dbraw/zinc/21/91/37/1137219137.db2.gz NCQUGYHIGKIYEF-KDQZPGIASA-N -1 0 335.831 3.593 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)[C@H](C)OC2CCCCCC2)c1 ZINC000864229345 1137219383 /nfs/dbraw/zinc/21/93/83/1137219383.db2.gz KGYRYQOADMTNBR-MAUKXSAKSA-N -1 0 347.455 3.755 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)C[C@H](C)c2cccc(F)c2)c1 ZINC000864230439 1137219524 /nfs/dbraw/zinc/21/95/24/1137219524.db2.gz XOOSKPUYXKIRSV-KBXCAEBGSA-N -1 0 343.398 3.960 20 0 EHADRM CSCc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(C)c2)cc1 ZINC000864230225 1137219545 /nfs/dbraw/zinc/21/95/45/1137219545.db2.gz TWDDXZDNNLPRCB-KRWDZBQOSA-N -1 0 343.448 3.804 20 0 EHADRM Cc1sc(C)c2c1[n-]c([C@@H]1CC(=O)N(c3ccccc3)C1)nc2=O ZINC000864354940 1137223305 /nfs/dbraw/zinc/22/33/05/1137223305.db2.gz JTCBRQFOUJEZCN-GFCCVEGCSA-N -1 0 339.420 3.534 20 0 EHADRM O=C([N-]CCc1csc(-c2ccc(Cl)s2)n1)C(F)(F)F ZINC000864366925 1137224210 /nfs/dbraw/zinc/22/42/10/1137224210.db2.gz GUFUAYHAMJYCBK-UHFFFAOYSA-N -1 0 340.779 3.746 20 0 EHADRM CC(C)CN(C(=O)c1cc(Br)cc(F)c1[O-])C1CC1 ZINC000864772511 1137245126 /nfs/dbraw/zinc/24/51/26/1137245126.db2.gz FCEDJENLLSVPIW-UHFFFAOYSA-N -1 0 330.197 3.554 20 0 EHADRM O=C([N-]S(=O)(=O)c1csc2ccccc21)[C@H]1C[C@H]1C1CCCC1 ZINC000845567631 1137298213 /nfs/dbraw/zinc/29/82/13/1137298213.db2.gz YOZJNSGAOHPWJW-KBPBESRZSA-N -1 0 349.477 3.533 20 0 EHADRM Cc1nc(C(=O)N2CCC(C3CCCCC3)CC2)ccc1C(=O)[O-] ZINC000846126349 1137334613 /nfs/dbraw/zinc/33/46/13/1137334613.db2.gz WCUKXAOQILNKPK-UHFFFAOYSA-N -1 0 330.428 3.521 20 0 EHADRM COC[C@@H]([N-]c1nnc(C(F)F)o1)c1cccc(Br)c1 ZINC000866244279 1137338717 /nfs/dbraw/zinc/33/87/17/1137338717.db2.gz ZTTGQYAMCXTIOJ-SECBINFHSA-N -1 0 348.147 3.569 20 0 EHADRM O=C(c1ccc(C(F)(F)F)c(O)c1)N1CCC[C@@]2(CC2(F)F)C1 ZINC000846583610 1137358931 /nfs/dbraw/zinc/35/89/31/1137358931.db2.gz QIOFBTZJSBHPCU-CYBMUJFWSA-N -1 0 335.272 3.672 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N[C@@H](C)c1ccccc1C(F)(F)F ZINC000846705224 1137362642 /nfs/dbraw/zinc/36/26/42/1137362642.db2.gz HNGUDHGJRGYJCD-JTQLQIEISA-N -1 0 331.334 3.774 20 0 EHADRM CCC(CC)(C[N-]S(=O)(=O)c1ccc(C(F)F)o1)C(F)(F)F ZINC000867730143 1137385170 /nfs/dbraw/zinc/38/51/70/1137385170.db2.gz OGLVQMPMWZQIGK-UHFFFAOYSA-N -1 0 349.321 3.864 20 0 EHADRM CO[C@H](C(=O)[N-]Oc1ccc(F)cc1)c1ccccc1C(F)(F)F ZINC001146551819 1137391598 /nfs/dbraw/zinc/39/15/98/1137391598.db2.gz QCCLIRIYNWCGIB-AWEZNQCLSA-N -1 0 343.276 3.642 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)c2cc(Cl)cc(Cl)c2[O-])nc1 ZINC001148811889 1137435476 /nfs/dbraw/zinc/43/54/76/1137435476.db2.gz QETFMTRZXYIULS-VIFPVBQESA-N -1 0 325.195 3.893 20 0 EHADRM COC(C)(C)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001148807698 1137435523 /nfs/dbraw/zinc/43/55/23/1137435523.db2.gz ODSOZCUBQVYVBL-GFCCVEGCSA-N -1 0 332.227 3.729 20 0 EHADRM COc1ccc(C2(C(=O)[N-]OCCCC(F)(F)F)CCC2)cc1 ZINC000871210883 1137527327 /nfs/dbraw/zinc/52/73/27/1137527327.db2.gz DMYKVNCIIDMGKC-UHFFFAOYSA-N -1 0 331.334 3.507 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2ccc(C3CCOCC3)cc2)cc1 ZINC001212654196 1137545434 /nfs/dbraw/zinc/54/54/34/1137545434.db2.gz PGIQOJMTCUIETG-UHFFFAOYSA-N -1 0 333.409 3.571 20 0 EHADRM Cc1cccc([C@@H](C)C(=O)Nc2nccc(Br)c2[O-])c1 ZINC001150024812 1137549125 /nfs/dbraw/zinc/54/91/25/1137549125.db2.gz DFMLKMHSVAAQDJ-SNVBAGLBSA-N -1 0 335.201 3.600 20 0 EHADRM Cc1ccc(NC(=O)N(CC(=O)[O-])C2CC2)cc1-c1ccsc1 ZINC000871615149 1137549424 /nfs/dbraw/zinc/54/94/24/1137549424.db2.gz LCNYYPAPEHQPPC-UHFFFAOYSA-N -1 0 330.409 3.804 20 0 EHADRM C/C(=C\C(=O)Nc1nccc(Br)c1[O-])c1cccs1 ZINC001150032075 1137555808 /nfs/dbraw/zinc/55/58/08/1137555808.db2.gz KSBBLWHCHDLWOY-BQYQJAHWSA-N -1 0 339.214 3.653 20 0 EHADRM COc1ccc(CNc2ccc(C)c(C(=O)[O-])c2C)c(OC)c1OC ZINC000871885648 1137562522 /nfs/dbraw/zinc/56/25/22/1137562522.db2.gz ZJWZSUMYSDBXOV-UHFFFAOYSA-N -1 0 345.395 3.640 20 0 EHADRM CCOc1ccc(-c2cc(=O)n([C@H]3CCOC4(CCCC4)C3)[n-]2)cc1 ZINC000871962817 1137563859 /nfs/dbraw/zinc/56/38/59/1137563859.db2.gz BXEYFUCEIOMZAB-INIZCTEOSA-N -1 0 342.439 3.514 20 0 EHADRM CCc1cccc(CC)c1[N-]S(=O)(=O)c1cccc(F)c1OC ZINC000872004102 1137564212 /nfs/dbraw/zinc/56/42/12/1137564212.db2.gz IAJKDMUJEYJLFD-UHFFFAOYSA-N -1 0 337.416 3.760 20 0 EHADRM CCc1ncsc1[N-]S(=O)(=O)c1ccc(F)c(C(F)F)c1 ZINC000872005809 1137564357 /nfs/dbraw/zinc/56/43/57/1137564357.db2.gz XRCYMGGKDRGTDX-UHFFFAOYSA-N -1 0 336.360 3.583 20 0 EHADRM Cc1ccccc1[C@H]1CN(Cc2cc(C(=O)[O-])cs2)[C@H](C)CO1 ZINC000872159001 1137574423 /nfs/dbraw/zinc/57/44/23/1137574423.db2.gz KQOAUUWRYIJXBX-CXAGYDPISA-N -1 0 331.437 3.717 20 0 EHADRM CC(C)c1ncsc1[N-]S(=O)(=O)c1onc(C2CC2)c1Cl ZINC000872374254 1137579055 /nfs/dbraw/zinc/57/90/55/1137579055.db2.gz YFMPGDRIECODOU-UHFFFAOYSA-N -1 0 347.849 3.586 20 0 EHADRM CCN(C(=O)[C@@H]1CC[C@H](CCC(=O)[O-])O1)c1ccc2ccccc2c1 ZINC000872716892 1137583156 /nfs/dbraw/zinc/58/31/56/1137583156.db2.gz QBQAURXTATUYOD-MSOLQXFVSA-N -1 0 341.407 3.605 20 0 EHADRM Cc1oc(-c2ccccc2)c(C(=O)N[C@@H](CC2CC2)C(=O)[O-])c1C ZINC000872745234 1137583559 /nfs/dbraw/zinc/58/35/59/1137583559.db2.gz HNNOXNWBQBGDRS-HNNXBMFYSA-N -1 0 327.380 3.547 20 0 EHADRM O=C([O-])[C@@H](CC1CC1)NC(=O)c1sccc1-c1ccc(F)cc1 ZINC000872747944 1137583752 /nfs/dbraw/zinc/58/37/52/1137583752.db2.gz WXSCTYFXRBWNJK-CQSZACIVSA-N -1 0 333.384 3.537 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])C(=O)Nc1cccc(C2SCCS2)c1 ZINC000872833931 1137585247 /nfs/dbraw/zinc/58/52/47/1137585247.db2.gz YSMNDVHDQBXDHR-INIZCTEOSA-N -1 0 339.482 3.995 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)C[C@@]2(C(=O)[O-])CCc3ccccc32)s1 ZINC000872839309 1137585337 /nfs/dbraw/zinc/58/53/37/1137585337.db2.gz PXPCNITVHCGIIM-YJYMSZOUSA-N -1 0 343.448 3.593 20 0 EHADRM CCCOc1ccc(NC(=O)C(C)(C)SCC(=O)[O-])cc1Cl ZINC000872837919 1137585343 /nfs/dbraw/zinc/58/53/43/1137585343.db2.gz HGOMQDADRQGJRL-UHFFFAOYSA-N -1 0 345.848 3.664 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)[C@](C)(CC(=O)[O-])c2ccsc2)s1 ZINC000872839794 1137585373 /nfs/dbraw/zinc/58/53/73/1137585373.db2.gz ZCWAZQSXMUNNBC-MEDUHNTESA-N -1 0 337.466 3.728 20 0 EHADRM C[C@@H](NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])c1csc2ccccc21 ZINC000872843709 1137585445 /nfs/dbraw/zinc/58/54/45/1137585445.db2.gz OVIUEVMCSKHGBO-MXWKQRLJSA-N -1 0 337.466 3.673 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000872851585 1137585569 /nfs/dbraw/zinc/58/55/69/1137585569.db2.gz AHBRPHRECLJNGH-UHFFFAOYSA-N -1 0 337.775 3.813 20 0 EHADRM CC(C)C[C@](C)(CC(=O)[O-])C(=O)NCCC[C@@H]1CC1(Cl)Cl ZINC000872875725 1137585828 /nfs/dbraw/zinc/58/58/28/1137585828.db2.gz FGYOGRSFXHYKJL-BXUZGUMPSA-N -1 0 338.275 3.604 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)C(C)(C)SCC(=O)[O-])c1ccc(F)cc1 ZINC000872897264 1137586328 /nfs/dbraw/zinc/58/63/28/1137586328.db2.gz DJDKAVPXLNTJSY-AWEZNQCLSA-N -1 0 341.448 3.626 20 0 EHADRM CCN(C(=O)C(C)(C)SCC(=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000872910761 1137586472 /nfs/dbraw/zinc/58/64/72/1137586472.db2.gz FAJTZYUUFOCKPJ-LBPRGKRZSA-N -1 0 349.452 3.939 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@H]2CC3(CCC3)Oc3ccccc32)CCCC1 ZINC000872953185 1137586925 /nfs/dbraw/zinc/58/69/25/1137586925.db2.gz ATRMIGJLHURKOD-HNNXBMFYSA-N -1 0 343.423 3.584 20 0 EHADRM O=C([O-])CC1(CC(=O)N[C@H]2CC3(CCC3)Oc3ccccc32)CCC1 ZINC000872954618 1137586958 /nfs/dbraw/zinc/58/69/58/1137586958.db2.gz ZFYIDAJGZDFAKV-HNNXBMFYSA-N -1 0 343.423 3.584 20 0 EHADRM O=C([O-])C1=C(C(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)CCCC1 ZINC000872971269 1137587212 /nfs/dbraw/zinc/58/72/12/1137587212.db2.gz OZPYJCVCWYUUBU-ZDUSSCGKSA-N -1 0 345.361 3.523 20 0 EHADRM C[C@H](NC(=O)[C@](C)(CC(=O)[O-])c1ccsc1)[C@]12C[C@H]1CCCC2 ZINC000872993741 1137587617 /nfs/dbraw/zinc/58/76/17/1137587617.db2.gz GHLVWCOKHKKOHW-DECQCQTCSA-N -1 0 335.469 3.566 20 0 EHADRM CCC(CC)(CC(=O)N[C@H](C)c1ccc(C(F)(F)F)nc1)C(=O)[O-] ZINC000873003726 1137587839 /nfs/dbraw/zinc/58/78/39/1137587839.db2.gz DWDHIAUTLNECKH-SNVBAGLBSA-N -1 0 346.349 3.559 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000874410056 1137613786 /nfs/dbraw/zinc/61/37/86/1137613786.db2.gz IAQXBDPYDKKEFT-MRXNPFEDSA-N -1 0 342.395 3.805 20 0 EHADRM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000879348202 1137745138 /nfs/dbraw/zinc/74/51/38/1137745138.db2.gz GPAINKASHZOTII-UHLUBPPHSA-N -1 0 340.210 3.727 20 0 EHADRM O=C(COC(=O)c1cc2ccsc2[nH]1)Nc1cccc(Cl)c1 ZINC000023345670 1137748830 /nfs/dbraw/zinc/74/88/30/1137748830.db2.gz NWGZTNHADITIMS-UHFFFAOYSA-N -1 0 334.784 3.678 20 0 EHADRM O=C([N-]OCc1ccccc1)C1(c2ccc(Br)cc2)CC1 ZINC000025039384 1137820833 /nfs/dbraw/zinc/82/08/33/1137820833.db2.gz NGZGMJDKLOEIMR-UHFFFAOYSA-N -1 0 346.224 3.729 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2ncsc2C2CC2)cc1C ZINC000882770860 1137833940 /nfs/dbraw/zinc/83/39/40/1137833940.db2.gz DRHUOGKWSGDSQX-UHFFFAOYSA-N -1 0 338.454 3.528 20 0 EHADRM CCCNC(=O)Nc1cccc(C([O-])(C(F)(F)F)C(F)(F)F)c1 ZINC001202595988 1137882982 /nfs/dbraw/zinc/88/29/82/1137882982.db2.gz NDHITMBZVNITFO-UHFFFAOYSA-N -1 0 344.255 3.530 20 0 EHADRM O=S(=O)(/C=C/c1ccccc1F)[N-]CC(F)(F)c1ccccc1 ZINC000800124862 1137898559 /nfs/dbraw/zinc/89/85/59/1137898559.db2.gz SOKLYKYOOWYJCP-ZHACJKMWSA-N -1 0 341.354 3.508 20 0 EHADRM CC(C)CC(C)(C)CNC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC001137201995 1137902429 /nfs/dbraw/zinc/90/24/29/1137902429.db2.gz ULYSKYBHYWPRNW-UHFFFAOYSA-N -1 0 333.407 3.519 20 0 EHADRM CCCc1nc(=NC(=O)N2CCCC[C@H]2c2ccc(C)o2)s[n-]1 ZINC000331555640 1137912339 /nfs/dbraw/zinc/91/23/39/1137912339.db2.gz HGKWMZGSHRINLU-LBPRGKRZSA-N -1 0 334.445 3.573 20 0 EHADRM CCCC[C@H](CC)CC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000117127064 1137929027 /nfs/dbraw/zinc/92/90/27/1137929027.db2.gz IGIWMGQUJYSNHQ-LBPRGKRZSA-N -1 0 335.473 3.550 20 0 EHADRM CCCN(CCc1ccccn1)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000118780447 1137935103 /nfs/dbraw/zinc/93/51/03/1137935103.db2.gz NTFOOEXYKMLTLA-UHFFFAOYSA-N -1 0 341.436 3.606 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C(C)(C)C)nc3c2)o1 ZINC000332206425 1137935598 /nfs/dbraw/zinc/93/55/98/1137935598.db2.gz FHBJRKWOPVOSBE-UHFFFAOYSA-N -1 0 333.413 3.563 20 0 EHADRM CC1CCN(C(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)CC1 ZINC000332651718 1137950262 /nfs/dbraw/zinc/95/02/62/1137950262.db2.gz IPSKRAHGTSEVBH-UHFFFAOYSA-N -1 0 336.848 3.544 20 0 EHADRM O=C(c1s[n-]c(=O)c1Cl)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000885215555 1137988841 /nfs/dbraw/zinc/98/88/41/1137988841.db2.gz IKQJBPDTNYPNMD-IDVQTMNDSA-N -1 0 334.828 3.820 20 0 EHADRM CCSCc1cccnc1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC000886444819 1138078675 /nfs/dbraw/zinc/07/86/75/1138078675.db2.gz LAVXRUDNFXYJFI-UHFFFAOYSA-N -1 0 340.445 3.583 20 0 EHADRM CCSCc1cccnc1[N-]S(=O)(=O)c1ccc(CC)s1 ZINC000886444548 1138078793 /nfs/dbraw/zinc/07/87/93/1138078793.db2.gz BICWVPSKPPQZFI-UHFFFAOYSA-N -1 0 342.511 3.759 20 0 EHADRM O=c1cc(C2CC2)[n-]n1-c1cccc(OC(F)F)c1Br ZINC000887294777 1138257736 /nfs/dbraw/zinc/25/77/36/1138257736.db2.gz LXAHVAJJRIGNBV-UHFFFAOYSA-N -1 0 345.143 3.553 20 0 EHADRM CC(C)(NC(=O)C[C@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000887322238 1138265345 /nfs/dbraw/zinc/26/53/45/1138265345.db2.gz JWHMZLKHXXDRBA-AWEZNQCLSA-N -1 0 347.361 3.575 20 0 EHADRM Cc1cccc(NC2CCN(C(=O)c3ccc(F)cc3[O-])CC2)c1 ZINC000123904649 1138276062 /nfs/dbraw/zinc/27/60/62/1138276062.db2.gz RDXIOKXUFJTMPL-UHFFFAOYSA-N -1 0 328.387 3.556 20 0 EHADRM C/C=C\C[C@H](NC(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1)C(=O)[O-] ZINC000887382413 1138294041 /nfs/dbraw/zinc/29/40/41/1138294041.db2.gz HGUPQJKKRUNASK-ZZVHHRJTSA-N -1 0 348.296 3.800 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CC[C@H](O)CC12CCC2 ZINC000333790089 1138332262 /nfs/dbraw/zinc/33/22/62/1138332262.db2.gz WDUNZERAHAQXFD-LBPRGKRZSA-N -1 0 345.826 3.718 20 0 EHADRM CC1(C)CCC(CC(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)CC1 ZINC000337438364 1138569186 /nfs/dbraw/zinc/56/91/86/1138569186.db2.gz DVMJYTOVVLSOGR-UHFFFAOYSA-N -1 0 329.400 3.575 20 0 EHADRM CC(C)CCOc1ccccc1CNC(=O)CC1(C(=O)[O-])CCCC1 ZINC000337706294 1138648394 /nfs/dbraw/zinc/64/83/94/1138648394.db2.gz JQRYLMMSEGITRG-UHFFFAOYSA-N -1 0 347.455 3.763 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)n1 ZINC000337766145 1138663085 /nfs/dbraw/zinc/66/30/85/1138663085.db2.gz MTJLGRYOKJTSLE-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM CSc1cccc(S(=O)(=O)[N-]c2nccc3sccc32)c1 ZINC000337787171 1138668251 /nfs/dbraw/zinc/66/82/51/1138668251.db2.gz XWUQNSLWZHUTJJ-UHFFFAOYSA-N -1 0 336.463 3.819 20 0 EHADRM CO[C@H](C)c1nc(=N[C@H](c2cccc(C)c2)c2ccccn2)s[n-]1 ZINC000337885114 1138690768 /nfs/dbraw/zinc/69/07/68/1138690768.db2.gz XJBZFVLOHPIJDQ-CZUORRHYSA-N -1 0 340.452 3.572 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@@H](C)c2ccc(-c3ccncc3)cc2)s[n-]1 ZINC000337886334 1138691205 /nfs/dbraw/zinc/69/12/05/1138691205.db2.gz YCXIEMYOLGZIQG-STQMWFEESA-N -1 0 340.452 3.903 20 0 EHADRM CC(C)(C)c1coc([N-]S(=O)(=O)c2cc(F)ccc2Cl)n1 ZINC000284320118 1138937242 /nfs/dbraw/zinc/93/72/42/1138937242.db2.gz ZSPKZZISWXVOAW-UHFFFAOYSA-N -1 0 332.784 3.565 20 0 EHADRM CCc1nc2cc(CN=c3[n-]nc(C(F)F)s3)ccc2n1C1CC1 ZINC000338486239 1138937376 /nfs/dbraw/zinc/93/73/76/1138937376.db2.gz ANROXWKBHRCMTQ-UHFFFAOYSA-N -1 0 349.410 3.757 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc([O-])c(Cl)c2)C[C@@H](c2ccsc2)O1 ZINC000150864245 1138987717 /nfs/dbraw/zinc/98/77/17/1138987717.db2.gz YUJSSTMYSDAEOV-BONVTDFDSA-N -1 0 337.828 3.709 20 0 EHADRM Cc1cnc(CCN(C)C(=O)c2c([O-])cc(Cl)cc2Cl)s1 ZINC000152467879 1139093805 /nfs/dbraw/zinc/09/38/05/1139093805.db2.gz ZLLUTTHNBWQKJJ-UHFFFAOYSA-N -1 0 345.251 3.779 20 0 EHADRM CCC[C@H](NC(=O)CSc1n[n-]c(=S)s1)c1ccccc1 ZINC000175966353 1139531021 /nfs/dbraw/zinc/53/10/21/1139531021.db2.gz ZCCGBMXXYBVFLF-NSHDSACASA-N -1 0 339.511 3.950 20 0 EHADRM C[C@@H]1CCN(C(=O)CSc2n[n-]c(=S)s2)c2ccccc21 ZINC000176049669 1139536667 /nfs/dbraw/zinc/53/66/67/1139536667.db2.gz ZACPQNGALBUCAB-SECBINFHSA-N -1 0 337.495 3.833 20 0 EHADRM C[C@H]1CCN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)[C@@H]1c1cccc(F)c1 ZINC000180129911 1139810640 /nfs/dbraw/zinc/81/06/40/1139810640.db2.gz RBJIJOVBJQYGTI-GUSZCTEKSA-N -1 0 333.403 3.626 20 0 EHADRM Cc1ccc(N(C)C(=O)CCc2ccccc2C(=O)[O-])cc1Cl ZINC000777363949 1139856919 /nfs/dbraw/zinc/85/69/19/1139856919.db2.gz PPBMONRZCGFNSN-UHFFFAOYSA-N -1 0 331.799 3.942 20 0 EHADRM CCCCCC[C@](C)(NC(=O)[C@@H](C)c1cccc(OC)c1)C(=O)[O-] ZINC000777371802 1139898264 /nfs/dbraw/zinc/89/82/64/1139898264.db2.gz DBDUQRVOQLOGBE-LIRRHRJNSA-N -1 0 335.444 3.729 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N(CCc1cccc(F)c1)C1CC1 ZINC000183620948 1140050523 /nfs/dbraw/zinc/05/05/23/1140050523.db2.gz SRZUJAQQOSZDFR-UHFFFAOYSA-N -1 0 335.325 3.657 20 0 EHADRM CC[C@@](C)(NC(=O)c1cc(F)c([O-])c(Cl)c1)c1nccs1 ZINC000184430567 1140102209 /nfs/dbraw/zinc/10/22/09/1140102209.db2.gz RLZLLOFVDSVLJC-CQSZACIVSA-N -1 0 328.796 3.696 20 0 EHADRM CCc1cc(=O)[nH]c(-c2cccc(NC(=O)C3=CCCCCC3)c2)n1 ZINC000185649273 1140160716 /nfs/dbraw/zinc/16/07/16/1140160716.db2.gz DJLUXRNXNGNWOT-UHFFFAOYSA-N -1 0 337.423 3.828 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)c(F)c1 ZINC000777415737 1140161606 /nfs/dbraw/zinc/16/16/06/1140161606.db2.gz GXNRWBZZZMHNSV-UHFFFAOYSA-N -1 0 330.340 3.711 20 0 EHADRM CCCOCc1ccccc1CNC(=O)c1cc(F)c([O-])c(F)c1 ZINC000186642922 1140214675 /nfs/dbraw/zinc/21/46/75/1140214675.db2.gz WPULNHUHKCWDGK-UHFFFAOYSA-N -1 0 335.350 3.527 20 0 EHADRM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000186822646 1140223474 /nfs/dbraw/zinc/22/34/74/1140223474.db2.gz BNUYUIFWNMIJEF-ZWNOBZJWSA-N -1 0 335.325 3.828 20 0 EHADRM Cc1noc([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)c1C ZINC000194609257 1140616574 /nfs/dbraw/zinc/61/65/74/1140616574.db2.gz LZOQWORCNAXSIY-UHFFFAOYSA-N -1 0 335.212 3.540 20 0 EHADRM CCC1CCC(N(C)C(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)CC1 ZINC000266150871 1140647644 /nfs/dbraw/zinc/64/76/44/1140647644.db2.gz NUECVKWGGRSCKB-UHFFFAOYSA-N -1 0 341.455 3.515 20 0 EHADRM CCN(CCc1cccs1)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000266832829 1140727223 /nfs/dbraw/zinc/72/72/23/1140727223.db2.gz NCVZNABWPZTQLN-UHFFFAOYSA-N -1 0 332.450 3.883 20 0 EHADRM CCc1onc(C)c1[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000270451877 1141225474 /nfs/dbraw/zinc/22/54/74/1141225474.db2.gz UZIOFUJIGRENNH-UHFFFAOYSA-N -1 0 349.239 3.961 20 0 EHADRM Cc1sc(/C=C/c2cnn(Cc3ccccc3)c2)nc1C(=O)[O-] ZINC000339114662 1141501279 /nfs/dbraw/zinc/50/12/79/1141501279.db2.gz QGFSOMZQEBFJRE-BQYQJAHWSA-N -1 0 325.393 3.565 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ncc(-c3ccccc3F)s2)o1 ZINC000339133958 1141506057 /nfs/dbraw/zinc/50/60/57/1141506057.db2.gz BFFXYPVRRCLKHP-UHFFFAOYSA-N -1 0 338.385 3.651 20 0 EHADRM C[C@H](N=c1[n-]nc(-c2ccccc2)s1)c1ccc([S@](C)=O)cc1 ZINC000339216279 1141530799 /nfs/dbraw/zinc/53/07/99/1141530799.db2.gz KVKJFGMHLZFFJL-MYODQAERSA-N -1 0 343.477 3.538 20 0 EHADRM Cc1nc(C=Cc2ccc(-c3ccccc3)o2)[nH]c(=O)c1CC(=O)[O-] ZINC000349105242 1141639581 /nfs/dbraw/zinc/63/95/81/1141639581.db2.gz GNSWSJHSLMMEMF-NTMALXAHSA-N -1 0 336.347 3.548 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)CNc1ccc(Cl)c(Cl)c1 ZINC000028642834 212629034 /nfs/dbraw/zinc/62/90/34/212629034.db2.gz ATARIFGMWSPXFS-UHFFFAOYSA-N -1 0 339.178 3.742 20 0 EHADRM O=C([O-])c1sccc1NC(=O)c1cc(Br)ccc1F ZINC000019515625 212034802 /nfs/dbraw/zinc/03/48/02/212034802.db2.gz IDQXKHZPLASKHS-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM O=C([O-])C1CCN(C(=O)c2ccccc2SCc2ccco2)CC1 ZINC000621538896 596931759 /nfs/dbraw/zinc/93/17/59/596931759.db2.gz ZEUIRQANNNWHSF-UHFFFAOYSA-N -1 0 345.420 3.509 20 0 EHADRM Cc1cccc2sc(C(=O)N3CCC(C(=O)[O-])CC3)c(Cl)c21 ZINC000621538821 596932216 /nfs/dbraw/zinc/93/22/16/596932216.db2.gz IPZMRCXGFLKCDA-UHFFFAOYSA-N -1 0 337.828 3.800 20 0 EHADRM C[C@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)[O-] ZINC000000411988 597049232 /nfs/dbraw/zinc/04/92/32/597049232.db2.gz RRAQJMZXMIOMPV-LBPRGKRZSA-N -1 0 337.404 3.771 20 0 EHADRM C[C@H](c1ccc2ccccc2c1)N(C(=O)CSCC(=O)[O-])C1CC1 ZINC000739057715 597089344 /nfs/dbraw/zinc/08/93/44/597089344.db2.gz NDICWMHGEBNHPV-CYBMUJFWSA-N -1 0 343.448 3.710 20 0 EHADRM CCSCc1cccc(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000516554857 597119913 /nfs/dbraw/zinc/11/99/13/597119913.db2.gz SLAHLFNCGUJMGK-ZDUSSCGKSA-N -1 0 336.457 3.658 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000238160526 597152071 /nfs/dbraw/zinc/15/20/71/597152071.db2.gz OQHDGNZYLOVVFH-UHFFFAOYSA-N -1 0 343.210 3.850 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000738623193 597190713 /nfs/dbraw/zinc/19/07/13/597190713.db2.gz CTHPLHSQRORGEM-WCQYABFASA-N -1 0 344.333 3.556 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)NCc2ccc3ccccc3c2)c1 ZINC000738625819 597196628 /nfs/dbraw/zinc/19/66/28/597196628.db2.gz MJNDCAVYEJTRMC-UHFFFAOYSA-N -1 0 334.375 3.789 20 0 EHADRM Cc1ccccc1[C@H](C)N(C)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000738323128 597198106 /nfs/dbraw/zinc/19/81/06/597198106.db2.gz DNRAFTVYGKEVQK-AWEZNQCLSA-N -1 0 326.396 3.847 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N(CC2CC2)C2CCCCC2)c1 ZINC000738624289 597204011 /nfs/dbraw/zinc/20/40/11/597204011.db2.gz PPUFUPIJUCUFOI-UHFFFAOYSA-N -1 0 330.428 3.890 20 0 EHADRM O=C([O-])CCCNC(=O)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000263453663 597308636 /nfs/dbraw/zinc/30/86/36/597308636.db2.gz GVGBQFIUWDGKKP-QGZVFWFLSA-N -1 0 326.396 3.551 20 0 EHADRM O=C([O-])CCCNC(=O)Nc1cccc(Cl)c1SC(F)F ZINC000738576630 597319483 /nfs/dbraw/zinc/31/94/83/597319483.db2.gz OGQCEQLJUMNCEV-UHFFFAOYSA-N -1 0 338.763 3.641 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N1CCC(c2ccccc2)CC1 ZINC000819602824 597328286 /nfs/dbraw/zinc/32/82/86/597328286.db2.gz CPCFRAJLHJYPIF-UHFFFAOYSA-N -1 0 338.407 3.725 20 0 EHADRM Cc1cccc([C@@H](C)CNC(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000818939336 597332134 /nfs/dbraw/zinc/33/21/34/597332134.db2.gz QSKRKPGQZWSPDT-AWEZNQCLSA-N -1 0 326.396 3.547 20 0 EHADRM CC(C)c1ccc(CNC(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000324607753 597341109 /nfs/dbraw/zinc/34/11/09/597341109.db2.gz KXRPWYVSYBVZET-UHFFFAOYSA-N -1 0 326.396 3.759 20 0 EHADRM Cc1ccccc1[C@H]1CCN(C(=O)Nc2ccccc2CC(=O)[O-])C1 ZINC000818958950 597344060 /nfs/dbraw/zinc/34/40/60/597344060.db2.gz RRBSKARKJBKPLO-INIZCTEOSA-N -1 0 338.407 3.644 20 0 EHADRM Cc1cc(N(C)C)cc(C)c1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000669501721 597379487 /nfs/dbraw/zinc/37/94/87/597379487.db2.gz RJRHSHLUNQVOMG-UHFFFAOYSA-N -1 0 341.411 3.641 20 0 EHADRM CC1(C)CN(C(=O)Nc2cccc(CC(=O)[O-])c2)Cc2ccccc21 ZINC000820211991 597451785 /nfs/dbraw/zinc/45/17/85/597451785.db2.gz RBUWNIBBYMYKKA-UHFFFAOYSA-N -1 0 338.407 3.639 20 0 EHADRM O=C([O-])CCCCOC(=O)c1csc(-c2c(F)cccc2F)n1 ZINC000738574720 597839635 /nfs/dbraw/zinc/83/96/35/597839635.db2.gz VYLICYCSASSDQU-UHFFFAOYSA-N -1 0 341.335 3.500 20 0 EHADRM COc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2)c(C(F)(F)F)c1 ZINC000820846026 598154952 /nfs/dbraw/zinc/15/49/52/598154952.db2.gz MDRCNTNUTSGQBG-UHFFFAOYSA-N -1 0 339.269 3.665 20 0 EHADRM O=C([O-])CCCCNC(=O)c1ccc(C2SCCCS2)cc1 ZINC000262326770 598165822 /nfs/dbraw/zinc/16/58/22/598165822.db2.gz GEIJJPZFKYOHIE-UHFFFAOYSA-N -1 0 339.482 3.540 20 0 EHADRM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)NCCCCC(=O)[O-] ZINC000666558825 598167816 /nfs/dbraw/zinc/16/78/16/598167816.db2.gz ZKSVWUGWGRPRRU-JTQLQIEISA-N -1 0 347.242 3.951 20 0 EHADRM CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccccc1C(=O)[O-] ZINC000820285209 598178819 /nfs/dbraw/zinc/17/88/19/598178819.db2.gz VYTCAEXPUTVMFF-INIZCTEOSA-N -1 0 327.384 3.785 20 0 EHADRM O=C([O-])[C@H]1CCCN1C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000575448605 598206438 /nfs/dbraw/zinc/20/64/38/598206438.db2.gz XQDGZBUBUPRLDH-QGZVFWFLSA-N -1 0 346.427 3.617 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)NCCCCOc1ccc(F)cc1 ZINC000740044748 599708442 /nfs/dbraw/zinc/70/84/42/599708442.db2.gz AJSNVXSXUXTWMI-UHFFFAOYSA-N -1 0 346.358 3.505 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CNc1cccc(C(F)F)c1 ZINC000738532901 599709091 /nfs/dbraw/zinc/70/90/91/599709091.db2.gz OXCBKIXCVOJESI-UHFFFAOYSA-N -1 0 334.322 3.681 20 0 EHADRM CCCC[C@@H](Sc1nnc(-c2ccccc2Cl)n1C)C(=O)[O-] ZINC000736983767 599709602 /nfs/dbraw/zinc/70/96/02/599709602.db2.gz CTIWNXCBFOCQHP-GFCCVEGCSA-N -1 0 339.848 3.871 20 0 EHADRM CCCC[C@H](Sc1nncn1-c1ccc(C)c(Cl)c1)C(=O)[O-] ZINC000736986698 599710517 /nfs/dbraw/zinc/71/05/17/599710517.db2.gz ZARNXXXPCAQCFG-ZDUSSCGKSA-N -1 0 339.848 3.965 20 0 EHADRM Cc1cccc(C(C)(C)CNC(=O)c2ccccc2NC(=O)[O-])c1 ZINC000738692569 599710549 /nfs/dbraw/zinc/71/05/49/599710549.db2.gz IQDXQPRTOPGUDB-UHFFFAOYSA-N -1 0 326.396 3.793 20 0 EHADRM O=C([O-])[C@@H](c1ccc(F)cc1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000580785346 599711231 /nfs/dbraw/zinc/71/12/31/599711231.db2.gz AQLRAFOWCNLTRL-IAGOWNOFSA-N -1 0 349.789 3.678 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)ccc1F ZINC000740007181 599713863 /nfs/dbraw/zinc/71/38/63/599713863.db2.gz YYBZHGCSFOGKAX-KCXRBIIJSA-N -1 0 347.390 3.958 20 0 EHADRM COc1ccc([C@H](C)NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000737947227 599714835 /nfs/dbraw/zinc/71/48/35/599714835.db2.gz HKQRKTZMKLIGLY-JTQLQIEISA-N -1 0 347.346 3.807 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)NCc2ccc(Cl)cc2)ccc1F ZINC000740007045 599716378 /nfs/dbraw/zinc/71/63/78/599716378.db2.gz GVNKBMZSHGRKPT-UHFFFAOYSA-N -1 0 337.738 3.891 20 0 EHADRM COc1ccc([C@@H](C)C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000676003691 599717287 /nfs/dbraw/zinc/71/72/87/599717287.db2.gz UATHLFDIURSFKC-SNVBAGLBSA-N -1 0 333.771 3.789 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)CCCCCc2ccc(O)cc2)cc1 ZINC000739234727 599721740 /nfs/dbraw/zinc/72/17/40/599721740.db2.gz WGFYAMPZJGCDGG-UHFFFAOYSA-N -1 0 341.407 3.510 20 0 EHADRM CC(C)CC[C@@H](NC(=O)CCCNC(=O)[O-])c1ccc(Cl)cc1 ZINC000736428663 599723084 /nfs/dbraw/zinc/72/30/84/599723084.db2.gz NTUQHLMTONJSDJ-OAHLLOKOSA-N -1 0 340.851 3.981 20 0 EHADRM CCCN(C(=O)CCNC(=O)[O-])[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000737009074 599723218 /nfs/dbraw/zinc/72/32/18/599723218.db2.gz NKFLNVLZAOXCPJ-SNVBAGLBSA-N -1 0 347.242 3.951 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000236733966 599724312 /nfs/dbraw/zinc/72/43/12/599724312.db2.gz JODPADOSTAIMEU-MOPGFXCFSA-N -1 0 339.435 3.903 20 0 EHADRM O=C([O-])NCCCC(=O)Nc1ccccc1Oc1cccc(F)c1 ZINC000739967094 599726387 /nfs/dbraw/zinc/72/63/87/599726387.db2.gz ROIHSFNWNJRICL-UHFFFAOYSA-N -1 0 332.331 3.604 20 0 EHADRM C[C@@H](c1ccccc1)c1ccc(OC(=O)CCCNC(=O)[O-])cc1 ZINC000736726158 599732561 /nfs/dbraw/zinc/73/25/61/599732561.db2.gz YVQXFNIFKXNWPX-AWEZNQCLSA-N -1 0 327.380 3.792 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2ccc(-n3cccc3)c(F)c2)cc1 ZINC000738667016 599735907 /nfs/dbraw/zinc/73/59/07/599735907.db2.gz LEONTOVPWYYBQY-UHFFFAOYSA-N -1 0 339.326 3.959 20 0 EHADRM Cc1cc(C)cc(-c2cc(NC(=O)c3ccc(C(=O)[O-])cc3)n[nH]2)c1 ZINC000738358762 599741108 /nfs/dbraw/zinc/74/11/08/599741108.db2.gz YMTLOOLJLWOGRO-UHFFFAOYSA-N -1 0 335.363 3.644 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1oc2ccccc2c1CSC)C(=O)[O-] ZINC000610844441 599742354 /nfs/dbraw/zinc/74/23/54/599742354.db2.gz CDOQKVWKUNFOBS-HZMBPMFUSA-N -1 0 335.425 3.525 20 0 EHADRM C[C@@H](Sc1nnc(Cc2ccccc2F)o1)c1ccc(C(=O)[O-])o1 ZINC000736713416 599743845 /nfs/dbraw/zinc/74/38/45/599743845.db2.gz BJRUAIXGEWKCPR-SECBINFHSA-N -1 0 348.355 3.944 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)c1 ZINC000238145910 599744959 /nfs/dbraw/zinc/74/49/59/599744959.db2.gz QGXZPJCVIUHNKZ-UHFFFAOYSA-N -1 0 346.745 3.840 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000236946180 599745042 /nfs/dbraw/zinc/74/50/42/599745042.db2.gz LUJDMTRKHFKNBW-DOMZBBRYSA-N -1 0 331.437 3.746 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000339346952 599745382 /nfs/dbraw/zinc/74/53/82/599745382.db2.gz CFDLJTISLDENBG-XPTSAGLGSA-N -1 0 332.227 3.542 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000739339459 599746641 /nfs/dbraw/zinc/74/66/41/599746641.db2.gz UMDRIPLIDTWQEB-UHFFFAOYSA-N -1 0 334.784 3.762 20 0 EHADRM Cc1cccc(C2(CNC(=O)CCSCC(=O)[O-])CCCCC2)c1 ZINC000738687727 599747314 /nfs/dbraw/zinc/74/73/14/599747314.db2.gz SFGSLYNOQQNHIB-UHFFFAOYSA-N -1 0 349.496 3.521 20 0 EHADRM CN(C(=O)CCSCC(=O)[O-])c1ccc(Oc2ccccc2)cc1 ZINC000737320201 599756184 /nfs/dbraw/zinc/75/61/84/599756184.db2.gz XAZURRQZXILUSS-UHFFFAOYSA-N -1 0 345.420 3.650 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)NCc2ccc(F)c(Cl)c2)c1 ZINC000740042020 599757932 /nfs/dbraw/zinc/75/79/32/599757932.db2.gz CUGWAICVXAUGBB-UHFFFAOYSA-N -1 0 337.738 3.891 20 0 EHADRM Cc1cc(SC(C)(C)C)ccc1NC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000263485664 599758484 /nfs/dbraw/zinc/75/84/84/599758484.db2.gz MOFWOGVVQZNRMV-LBPRGKRZSA-N -1 0 336.457 3.824 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Nc1cccc(C(F)F)c1)c1ccccc1 ZINC000386222441 599758597 /nfs/dbraw/zinc/75/85/97/599758597.db2.gz KDJANNZPAZMTNV-AWEZNQCLSA-N -1 0 334.322 3.962 20 0 EHADRM O=C([O-])[C@H](NCc1csc(-c2cccs2)n1)c1ccccc1 ZINC000426815245 599758887 /nfs/dbraw/zinc/75/88/87/599758887.db2.gz DOYCAVASMKSJBO-CQSZACIVSA-N -1 0 330.434 3.787 20 0 EHADRM CCSc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cn1 ZINC000737230451 599763674 /nfs/dbraw/zinc/76/36/74/599763674.db2.gz YBAOKSGEBFTCGW-UHFFFAOYSA-N -1 0 336.800 3.798 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1 ZINC000238038181 599766645 /nfs/dbraw/zinc/76/66/45/599766645.db2.gz AHMQAWVZTMWDNH-UHFFFAOYSA-N -1 0 336.391 3.756 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2sccc2OC(F)F)cc1 ZINC000238033972 599772693 /nfs/dbraw/zinc/77/26/93/599772693.db2.gz QYTSYEUIUCDPGI-UHFFFAOYSA-N -1 0 341.335 3.619 20 0 EHADRM COc1ccccc1[C@@H]1CCCN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000738129461 599781564 /nfs/dbraw/zinc/78/15/64/599781564.db2.gz PZSQZYNTFSENOK-INIZCTEOSA-N -1 0 340.379 3.762 20 0 EHADRM CCCC[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC000736986087 599781600 /nfs/dbraw/zinc/78/16/00/599781600.db2.gz STGCHMFDDBRKBS-GDBMZVCRSA-N -1 0 348.443 3.552 20 0 EHADRM O=C([O-])c1ccccc1C(=O)OCc1cc2ccccc2nc1Cl ZINC000740240708 599787266 /nfs/dbraw/zinc/78/72/66/599787266.db2.gz BZCNNMFHVQJMCA-UHFFFAOYSA-N -1 0 341.750 3.943 20 0 EHADRM Cc1oc(-c2ccsc2)nc1CN[C@H](C(=O)[O-])c1ccccc1 ZINC000738958188 599787555 /nfs/dbraw/zinc/78/75/55/599787555.db2.gz VJVVZUJWQDRPKM-HNNXBMFYSA-N -1 0 328.393 3.627 20 0 EHADRM Cc1nc(-c2ccco2)ccc1C(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC000738838463 599790096 /nfs/dbraw/zinc/79/00/96/599790096.db2.gz XTGSPVSOMMRGNE-QGZVFWFLSA-N -1 0 337.331 3.633 20 0 EHADRM O=C([O-])CCCNC(=O)N[C@H](CC1CCCCC1)c1ccccc1 ZINC000739676183 599791120 /nfs/dbraw/zinc/79/11/20/599791120.db2.gz ILCYWEOKFZMOND-QGZVFWFLSA-N -1 0 332.444 3.862 20 0 EHADRM O=C([O-])c1coc(COC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)c1 ZINC000740268070 599791416 /nfs/dbraw/zinc/79/14/16/599791416.db2.gz PLGBBQFTMZELAH-QZTJIDSGSA-N -1 0 336.343 3.978 20 0 EHADRM Cc1nc([C@H](C)NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cs1 ZINC000738845562 599794400 /nfs/dbraw/zinc/79/44/00/599794400.db2.gz UFXDBSNUQDUSOK-ZETCQYMHSA-N -1 0 338.364 3.563 20 0 EHADRM C[C@H](c1ccccc1)c1ccc(OC(=O)CCSCC(=O)[O-])cc1 ZINC000736725031 599801036 /nfs/dbraw/zinc/80/10/36/599801036.db2.gz RFUZIGHZMQRJDU-CQSZACIVSA-N -1 0 344.432 3.952 20 0 EHADRM CC(C)Oc1ccc(NC(=S)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000736493802 599806207 /nfs/dbraw/zinc/80/62/07/599806207.db2.gz GNGLCEDWYMAMBW-UHFFFAOYSA-N -1 0 344.436 3.910 20 0 EHADRM CC(C)c1nc(C(=O)Oc2ccc(C(=O)[O-])cc2Cl)cs1 ZINC000736526267 599807947 /nfs/dbraw/zinc/80/79/47/599807947.db2.gz TWQAJRLUSSCZGR-UHFFFAOYSA-N -1 0 325.773 3.837 20 0 EHADRM Cc1ccc(-c2csc(NC(=O)[C@H](NC(=O)[O-])C(C)C)n2)c(C)c1 ZINC000738249546 599808968 /nfs/dbraw/zinc/80/89/68/599808968.db2.gz RZCFKBKHEIKOPY-CQSZACIVSA-N -1 0 347.440 3.658 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1csc(C(C)C)n1 ZINC000737879823 599809869 /nfs/dbraw/zinc/80/98/69/599809869.db2.gz VIANFBWQKGGXMK-FNORWQNLSA-N -1 0 347.392 3.592 20 0 EHADRM CCCCC[C@@H](NC(=O)N[C@H]1CCCN(C(=O)[O-])C1)c1ccccc1 ZINC000736984541 599815847 /nfs/dbraw/zinc/81/58/47/599815847.db2.gz MBVXGDZWERUXLU-DLBZAZTESA-N -1 0 347.459 3.750 20 0 EHADRM CCCCC[C@H](NC(=O)N[C@H]1CCCN(C(=O)[O-])C1)c1ccccc1 ZINC000736984543 599815921 /nfs/dbraw/zinc/81/59/21/599815921.db2.gz MBVXGDZWERUXLU-IRXDYDNUSA-N -1 0 347.459 3.750 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1ccc(SC(F)(F)F)cc1)C(=O)[O-] ZINC000236982543 599816378 /nfs/dbraw/zinc/81/63/78/599816378.db2.gz SDQQYBVTBFZKBK-KWQFWETISA-N -1 0 335.347 3.528 20 0 EHADRM C[C@@H](c1cccs1)N(C)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000390947388 599826058 /nfs/dbraw/zinc/82/60/58/599826058.db2.gz GCXMZPVILZVRLR-LBPRGKRZSA-N -1 0 332.425 3.990 20 0 EHADRM Cc1cc(C)c(C(=O)[C@@H](C)OC(=O)c2ccccc2C(=O)[O-])cc1C ZINC000738352670 599828849 /nfs/dbraw/zinc/82/88/49/599828849.db2.gz UBXYEGUPAHXYTC-CQSZACIVSA-N -1 0 340.375 3.738 20 0 EHADRM O=C([O-])c1ccccc1C(=O)OCc1cccc(Br)c1 ZINC000740242742 599829286 /nfs/dbraw/zinc/82/92/86/599829286.db2.gz SYVIFORZAHSCNN-UHFFFAOYSA-N -1 0 335.153 3.504 20 0 EHADRM C[C@@H](Cc1ccccc1F)NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000736628245 599830855 /nfs/dbraw/zinc/83/08/55/599830855.db2.gz APUJNNYHORBEIT-ZDUSSCGKSA-N -1 0 344.386 3.596 20 0 EHADRM CC(C)c1ccc(OCCC(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC000736515800 599837484 /nfs/dbraw/zinc/83/74/84/599837484.db2.gz RPBMJLCXIOWWMX-UHFFFAOYSA-N -1 0 341.407 3.940 20 0 EHADRM CN(C(=O)c1ccc(OC2CCCC2)cc1)c1ccccc1C(=O)[O-] ZINC000737339475 599838831 /nfs/dbraw/zinc/83/88/31/599838831.db2.gz ZUZQUYJZOFWQLR-UHFFFAOYSA-N -1 0 339.391 3.983 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)CCCN(C)C(=O)[O-] ZINC000737267075 599839013 /nfs/dbraw/zinc/83/90/13/599839013.db2.gz SXUGKNYOGNJEMX-UHFFFAOYSA-N -1 0 326.824 3.793 20 0 EHADRM CN(CCCC(=O)N(C)c1ccccc1-c1ccccc1)C(=O)[O-] ZINC000737419814 599841409 /nfs/dbraw/zinc/84/14/09/599841409.db2.gz ZPLRXDSOFLENJU-UHFFFAOYSA-N -1 0 326.396 3.706 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000322087178 599843884 /nfs/dbraw/zinc/84/38/84/599843884.db2.gz GUVWDFITKYMWRA-BDAKNGLRSA-N -1 0 333.281 3.831 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000739463763 599850395 /nfs/dbraw/zinc/85/03/95/599850395.db2.gz UMYJQMPWZXYWRA-UHFFFAOYSA-N -1 0 347.330 3.773 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)CNc1cccc(F)c1C(=O)[O-] ZINC000738604737 599856772 /nfs/dbraw/zinc/85/67/72/599856772.db2.gz LTDYTEARTSRBJH-UHFFFAOYSA-N -1 0 336.750 3.536 20 0 EHADRM CC(C)N(C(=O)CNc1ccc(CCC(=O)[O-])cc1)c1ccccc1 ZINC000736456073 599857414 /nfs/dbraw/zinc/85/74/14/599857414.db2.gz XLXYFAPCKQRDQS-UHFFFAOYSA-N -1 0 340.423 3.557 20 0 EHADRM CCc1cccc(C)c1NC(=O)CNc1ccc(CCC(=O)[O-])cc1 ZINC000737267238 599857646 /nfs/dbraw/zinc/85/76/46/599857646.db2.gz NKQYXCXVCAFJMV-UHFFFAOYSA-N -1 0 340.423 3.625 20 0 EHADRM CC(C)c1ccc(C(=O)COC(=O)C(C)(C)NC(=O)[O-])c(C(C)C)c1 ZINC000736511823 599863826 /nfs/dbraw/zinc/86/38/26/599863826.db2.gz DZRROAGLESKTNK-UHFFFAOYSA-N -1 0 349.427 3.706 20 0 EHADRM COc1ccc(Cl)cc1CC(=O)Nc1cc(C)c(C(=O)[O-])s1 ZINC000314455388 599864741 /nfs/dbraw/zinc/86/47/41/599864741.db2.gz IXMLOUCGSWTFGW-UHFFFAOYSA-N -1 0 339.800 3.598 20 0 EHADRM COc1ccc(C(=O)NCc2c3ccccc3sc2C(=O)[O-])cc1 ZINC000676019331 599872402 /nfs/dbraw/zinc/87/24/02/599872402.db2.gz VYFCLMMTEPHVIO-UHFFFAOYSA-N -1 0 341.388 3.538 20 0 EHADRM O=C([O-])CC1CCN(Cc2csc(-c3ccccc3F)n2)CC1 ZINC000738563921 599874591 /nfs/dbraw/zinc/87/45/91/599874591.db2.gz CMZQVECIKNOHFE-UHFFFAOYSA-N -1 0 334.416 3.636 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000237014671 599884653 /nfs/dbraw/zinc/88/46/53/599884653.db2.gz JQHGIAUFYBXDJV-IKYJFFNYSA-N -1 0 345.439 3.589 20 0 EHADRM Cc1c(N)cccc1C(=O)OCc1c2ccccc2sc1C(=O)[O-] ZINC000738301262 599884655 /nfs/dbraw/zinc/88/46/55/599884655.db2.gz FOCVYOUFSQAUDS-UHFFFAOYSA-N -1 0 341.388 3.847 20 0 EHADRM CCCCc1ccc2nc(NC(=O)[C@@H](NC(=O)[O-])C(C)C)sc2c1 ZINC000737003866 599888766 /nfs/dbraw/zinc/88/87/66/599888766.db2.gz LQMIVNBNESQKLU-AWEZNQCLSA-N -1 0 349.456 3.870 20 0 EHADRM O=C([O-])c1cnc(NC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)s1 ZINC000740261091 599891632 /nfs/dbraw/zinc/89/16/32/599891632.db2.gz UTWMBQXMJHACKT-KGLIPLIRSA-N -1 0 338.388 3.737 20 0 EHADRM CC(C)CCc1ccc(NC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000736436199 599893027 /nfs/dbraw/zinc/89/30/27/599893027.db2.gz SEGKIZFCQTZLCU-MRXNPFEDSA-N -1 0 333.432 3.539 20 0 EHADRM Cc1c(Cl)cc(NC(=O)N[C@H]2CCCN(C(=O)[O-])C2)cc1Cl ZINC000738290637 599893752 /nfs/dbraw/zinc/89/37/52/599893752.db2.gz TYRFNICABNHADY-VIFPVBQESA-N -1 0 346.214 3.566 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)NCc2cccc(C(F)(F)F)c2)c1 ZINC000740032749 599895465 /nfs/dbraw/zinc/89/54/65/599895465.db2.gz ZWTUHIKKLNPHSZ-UHFFFAOYSA-N -1 0 338.285 3.725 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)NCCc2csc3ccccc23)c1 ZINC000740032356 599907221 /nfs/dbraw/zinc/90/72/21/599907221.db2.gz WIWQBLKPKGJIKO-UHFFFAOYSA-N -1 0 340.404 3.964 20 0 EHADRM CC(C)[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC000236647134 599912857 /nfs/dbraw/zinc/91/28/57/599912857.db2.gz PFKCGSJKZVDNRC-OALUTQOASA-N -1 0 339.435 3.628 20 0 EHADRM Cc1cc(NC(=O)Cc2ccc(C(F)(F)F)cc2)ccc1C(=O)[O-] ZINC000237713399 599916929 /nfs/dbraw/zinc/91/69/29/599916929.db2.gz FVHAXMGGPMWOFQ-UHFFFAOYSA-N -1 0 337.297 3.893 20 0 EHADRM C[C@H](CN(C(=O)c1cc2c(s1)CCCCCC2)C1CC1)C(=O)[O-] ZINC000237378864 599925526 /nfs/dbraw/zinc/92/55/26/599925526.db2.gz QGWGEDXOJVXZML-GFCCVEGCSA-N -1 0 335.469 3.732 20 0 EHADRM C[C@H](OCCCNC(=O)c1cccc(NC(=O)[O-])c1)c1ccccc1 ZINC000736699488 599927959 /nfs/dbraw/zinc/92/79/59/599927959.db2.gz CUMRPVAJFPQPIN-AWEZNQCLSA-N -1 0 342.395 3.674 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000736930337 599928950 /nfs/dbraw/zinc/92/89/50/599928950.db2.gz ZXYAXFIMJLZLGB-DOTOQJQBSA-N -1 0 347.455 3.823 20 0 EHADRM CNC(=O)c1cccc(NCc2c3ccccc3sc2C(=O)[O-])c1 ZINC000737553200 599936164 /nfs/dbraw/zinc/93/61/64/599936164.db2.gz WRFYCNWIQKNPIB-UHFFFAOYSA-N -1 0 340.404 3.571 20 0 EHADRM COc1ccsc1C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000676019284 599939743 /nfs/dbraw/zinc/93/97/43/599939743.db2.gz UHLCLUQJOLENOR-UHFFFAOYSA-N -1 0 347.417 3.600 20 0 EHADRM O=C(/C=C/c1ccco1)OCc1c2ccccc2sc1C(=O)[O-] ZINC000739214307 599943962 /nfs/dbraw/zinc/94/39/62/599943962.db2.gz CZZXHNIPHWRZBL-BQYQJAHWSA-N -1 0 328.345 3.949 20 0 EHADRM Cc1ncc(C(=O)OCc2c3ccccc3sc2C(=O)[O-])s1 ZINC000738882873 599945872 /nfs/dbraw/zinc/94/58/72/599945872.db2.gz BHIACBJGOLTVPY-UHFFFAOYSA-N -1 0 333.390 3.721 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2ccc3c(c2)-c2ccccc2C3)c1O ZINC000739484482 599950637 /nfs/dbraw/zinc/95/06/37/599950637.db2.gz VZKODXNCGNYIHA-UHFFFAOYSA-N -1 0 345.354 3.914 20 0 EHADRM O=C([O-])c1occc1COC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000740281627 599953674 /nfs/dbraw/zinc/95/36/74/599953674.db2.gz NKBGYKCJNFSDIX-IAGOWNOFSA-N -1 0 336.343 3.978 20 0 EHADRM Cc1cc(NCC(=O)Nc2ccc(C(C)C)cc2)ccc1C(=O)[O-] ZINC000738460962 599962641 /nfs/dbraw/zinc/96/26/41/599962641.db2.gz STNDPVPGUCUOMO-UHFFFAOYSA-N -1 0 326.396 3.867 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)CNc1ccc(C(=O)[O-])c(C)c1 ZINC000738605179 599962762 /nfs/dbraw/zinc/96/27/62/599962762.db2.gz QJMYXOBBJISLJW-UHFFFAOYSA-N -1 0 332.787 3.706 20 0 EHADRM CC(C)COc1ccccc1C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC000736447480 599970580 /nfs/dbraw/zinc/97/05/80/599970580.db2.gz BAQFOVIERWCAAB-UHFFFAOYSA-N -1 0 328.364 3.568 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NCC(C)(C)c1ccc(F)cc1 ZINC000738531528 599986633 /nfs/dbraw/zinc/98/66/33/599986633.db2.gz AEUVSQUYYHLLBW-UHFFFAOYSA-N -1 0 344.386 3.932 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl ZINC000236934139 599992102 /nfs/dbraw/zinc/99/21/02/599992102.db2.gz LDRLMYSAMYALJG-ZZXKWVIFSA-N -1 0 349.736 3.695 20 0 EHADRM O=C([O-])c1coc(COC(=O)C[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000739215402 599996015 /nfs/dbraw/zinc/99/60/15/599996015.db2.gz ARTBIUVIOIDKKF-ZDUSSCGKSA-N -1 0 342.269 3.757 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)/C=C(\C)c2ccc(F)cc2)c1 ZINC000737935464 600003845 /nfs/dbraw/zinc/00/38/45/600003845.db2.gz QUKQOLZIMJQIIA-PKNBQFBNSA-N -1 0 329.327 3.575 20 0 EHADRM C[C@H](NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccccc1Cl ZINC000392479212 600012092 /nfs/dbraw/zinc/01/20/92/600012092.db2.gz IZTKXKZCPXJHOY-NSHDSACASA-N -1 0 344.798 3.825 20 0 EHADRM CC(C)c1ccc([C@@H](C)NC(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000262881750 600012614 /nfs/dbraw/zinc/01/26/14/600012614.db2.gz BDJIHZKHIDAULF-NVPAJSRCSA-N -1 0 332.444 3.814 20 0 EHADRM C[C@H](NC(=O)NC1CCC(C(=O)[O-])CC1)c1cccc2ccccc21 ZINC000263050317 600012724 /nfs/dbraw/zinc/01/27/24/600012724.db2.gz RCXISCQRLBJNQL-JEYLPNPQSA-N -1 0 340.423 3.843 20 0 EHADRM Cc1ccccc1C[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000738767840 600014051 /nfs/dbraw/zinc/01/40/51/600014051.db2.gz KTDMCUFIVYZPGU-AWEZNQCLSA-N -1 0 326.396 3.754 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000392074498 600014420 /nfs/dbraw/zinc/01/44/20/600014420.db2.gz NDUVNDWHTYHXRT-GFCCVEGCSA-N -1 0 328.368 3.585 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)N[C@@H](c1ccccc1)C1CC1)C2 ZINC000740202524 600014506 /nfs/dbraw/zinc/01/45/06/600014506.db2.gz KKKHCGRQPGCUIT-SFHVURJKSA-N -1 0 336.391 3.561 20 0 EHADRM COc1ccc(CCC(=O)Oc2cccc(CC(=O)[O-])c2)cc1Cl ZINC000737987201 600023725 /nfs/dbraw/zinc/02/37/25/600023725.db2.gz UGPPDZLOOGOMGC-UHFFFAOYSA-N -1 0 348.782 3.514 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)C2(c3cccc(Cl)c3)CC2)c1 ZINC000739889271 600024792 /nfs/dbraw/zinc/02/47/92/600024792.db2.gz MFTWTCTYELNJNE-UHFFFAOYSA-N -1 0 330.767 3.604 20 0 EHADRM Cc1cccc(C[C@H](CNC(=O)Nc2ccc(C)cc2F)C(=O)[O-])c1 ZINC000738708912 600026220 /nfs/dbraw/zinc/02/62/20/600026220.db2.gz REEHPZUNXMNWCY-OAHLLOKOSA-N -1 0 344.386 3.508 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)CCCOc2ccc(Cl)cc2)c1 ZINC000739888349 600026972 /nfs/dbraw/zinc/02/69/72/600026972.db2.gz DQTNSXFBWPTICH-UHFFFAOYSA-N -1 0 348.782 3.732 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)c2ccc(-c3ccccc3F)o2)c1 ZINC000739890025 600027741 /nfs/dbraw/zinc/02/77/41/600027741.db2.gz WWQNRLWSOOTIMF-UHFFFAOYSA-N -1 0 340.306 3.932 20 0 EHADRM CC[C@@H](C)Oc1ccc(NC(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000263464464 600028069 /nfs/dbraw/zinc/02/80/69/600028069.db2.gz FTFQZBZQJNWDDK-IYXRBSQSSA-N -1 0 334.416 3.629 20 0 EHADRM Cc1[nH]c(-c2ccccc2)nc1C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000738228199 600029729 /nfs/dbraw/zinc/02/97/29/600029729.db2.gz OSZMDPLTYXZYGC-LLVKDONJSA-N -1 0 340.335 3.594 20 0 EHADRM CN(Cc1cccc2ccccc21)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263485395 600029952 /nfs/dbraw/zinc/02/99/52/600029952.db2.gz PFRIZRCDYDOZPM-UHFFFAOYSA-N -1 0 340.423 3.625 20 0 EHADRM CCC1CCC(N(C)C(=O)Nc2ccc(OCC(=O)[O-])cc2)CC1 ZINC000324780663 600030431 /nfs/dbraw/zinc/03/04/31/600030431.db2.gz GOBVITKSIGPGTR-UHFFFAOYSA-N -1 0 334.416 3.583 20 0 EHADRM CCN(C(=O)NC1CCC(C(=O)[O-])CC1)[C@@H](C)c1ccc(F)cc1 ZINC000414633202 600030588 /nfs/dbraw/zinc/03/05/88/600030588.db2.gz ZADPHMJJQUORTI-YGONEPDPSA-N -1 0 336.407 3.562 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@H]2CCc3ccc(F)cc32)ccc1Cl ZINC000738512031 600032650 /nfs/dbraw/zinc/03/26/50/600032650.db2.gz QKSFMULVBXAGLS-HNNXBMFYSA-N -1 0 348.761 3.986 20 0 EHADRM CCCC[C@@H](CC)CNC(=S)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736980637 600033846 /nfs/dbraw/zinc/03/38/46/600033846.db2.gz AEJQLFAXVRPXOK-CYBMUJFWSA-N -1 0 334.485 3.791 20 0 EHADRM CN(Cc1ccccc1Cl)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237156552 600033913 /nfs/dbraw/zinc/03/39/13/600033913.db2.gz PQVDJFUXDXHPAS-UHFFFAOYSA-N -1 0 331.799 3.629 20 0 EHADRM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2sc(C)c(C)c2C(=O)[O-])c1 ZINC000738095477 600034970 /nfs/dbraw/zinc/03/49/70/600034970.db2.gz IKEOELFKVGGRRK-KGLIPLIRSA-N -1 0 345.420 3.814 20 0 EHADRM CCc1cccc2c(CC(=O)N(C)c3ccccc3C(=O)[O-])c[nH]c21 ZINC000737270710 600036011 /nfs/dbraw/zinc/03/60/11/600036011.db2.gz WSPXGAGCCYRPFV-UHFFFAOYSA-N -1 0 336.391 3.634 20 0 EHADRM CC(C)[C@@H](Sc1ccccc1)C(=O)OCc1ccoc1C(=O)[O-] ZINC000736392743 600038954 /nfs/dbraw/zinc/03/89/54/600038954.db2.gz XAQHDOLXFVLAQP-OAHLLOKOSA-N -1 0 334.393 3.838 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N2CCc3cccc(Cl)c32)cc1 ZINC000740122995 600039925 /nfs/dbraw/zinc/03/99/25/600039925.db2.gz WTDXCCROYMMERZ-UHFFFAOYSA-N -1 0 329.783 3.560 20 0 EHADRM Cc1cc(C)c(CCNC(=O)CCc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000237810562 600039978 /nfs/dbraw/zinc/03/99/78/600039978.db2.gz BFDIOGUIQFOTSS-UHFFFAOYSA-N -1 0 339.435 3.602 20 0 EHADRM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000738096144 600040803 /nfs/dbraw/zinc/04/08/03/600040803.db2.gz NGJGJBAEQPNAGD-UONOGXRCSA-N -1 0 344.342 3.666 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1cccc(Cl)c1Cl)C2 ZINC000388481011 600043516 /nfs/dbraw/zinc/04/35/16/600043516.db2.gz BVIZCHUEJGEUMI-UHFFFAOYSA-N -1 0 336.174 3.848 20 0 EHADRM O=C([O-])c1cccc(COC(=O)c2ccccc2Oc2cccnc2)c1 ZINC000740228222 600044201 /nfs/dbraw/zinc/04/42/01/600044201.db2.gz TZSMPGIVWDCANY-UHFFFAOYSA-N -1 0 349.342 3.929 20 0 EHADRM CC(C)COc1ccc(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000326925777 600045747 /nfs/dbraw/zinc/04/57/47/600045747.db2.gz RLRVSGHCYPZHOG-UHFFFAOYSA-N -1 0 339.391 3.576 20 0 EHADRM CC(C)N(C)c1cccc(NC(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000736458054 600046404 /nfs/dbraw/zinc/04/64/04/600046404.db2.gz WBEFSBWTTDJGCD-UHFFFAOYSA-N -1 0 340.423 3.801 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000262038351 600050016 /nfs/dbraw/zinc/05/00/16/600050016.db2.gz HMNQTHAUIPADFI-UNXYVOJBSA-N -1 0 341.860 3.580 20 0 EHADRM Cc1ccc(-c2nnc(SCc3cc(C(=O)[O-])co3)o2)c(C)c1 ZINC000738491334 600056644 /nfs/dbraw/zinc/05/66/44/600056644.db2.gz UBUYUCGOINBGKA-UHFFFAOYSA-N -1 0 330.365 3.937 20 0 EHADRM CCOc1ccc(Oc2ccccc2NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000262586752 600059873 /nfs/dbraw/zinc/05/98/73/600059873.db2.gz GWNXYCXYXZPYKS-CABCVRRESA-N -1 0 341.363 3.537 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000739550911 600061616 /nfs/dbraw/zinc/06/16/16/600061616.db2.gz ZBJZXEZHHUMGMJ-CHWSQXEVSA-N -1 0 338.388 3.623 20 0 EHADRM CC[C@H](CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])c1ccccc1 ZINC000236926890 600061729 /nfs/dbraw/zinc/06/17/29/600061729.db2.gz AVYVDMGPLBNUQW-DNVCBOLYSA-N -1 0 337.419 3.608 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)c1cc(F)c(Cl)nc1Cl ZINC000740078217 600062332 /nfs/dbraw/zinc/06/23/32/600062332.db2.gz OJYQMFSKGIOFGX-UHFFFAOYSA-N -1 0 347.104 3.617 20 0 EHADRM CC/C(=C\C(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000736834845 600062353 /nfs/dbraw/zinc/06/23/53/600062353.db2.gz KBZKPVSYAXWIOK-WYMLVPIESA-N -1 0 325.364 3.582 20 0 EHADRM CC(C)c1ccc([C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])c2cccs2)cc1 ZINC000485658284 600062999 /nfs/dbraw/zinc/06/29/99/600062999.db2.gz CCYRQZFWIIBEBY-UXLLHSPISA-N -1 0 343.448 3.798 20 0 EHADRM Cc1ccc(CC(=O)Nc2cccc(CSCCC(=O)[O-])c2)cc1 ZINC000237674466 600067524 /nfs/dbraw/zinc/06/75/24/600067524.db2.gz GDRTYCALPLFZJE-UHFFFAOYSA-N -1 0 343.448 3.884 20 0 EHADRM CC[C@@H](CC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1)c1ccccc1 ZINC000262456074 600069551 /nfs/dbraw/zinc/06/95/51/600069551.db2.gz HTFULSGLQRSWFD-AWEZNQCLSA-N -1 0 329.396 3.829 20 0 EHADRM CC[C@H](CC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1)c1ccccc1 ZINC000262456077 600069605 /nfs/dbraw/zinc/06/96/05/600069605.db2.gz HTFULSGLQRSWFD-CQSZACIVSA-N -1 0 329.396 3.829 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[O-])cc1 ZINC000737229048 600075597 /nfs/dbraw/zinc/07/55/97/600075597.db2.gz HVIKBPXAJFUKAL-WFASDCNBSA-N -1 0 338.473 3.658 20 0 EHADRM CC(C)[C@H](C)NC(=O)COc1cc(-c2ccccc2)sc1C(=O)[O-] ZINC000736350872 600076119 /nfs/dbraw/zinc/07/61/19/600076119.db2.gz AZFOEQOPHZNMMG-LBPRGKRZSA-N -1 0 347.436 3.653 20 0 EHADRM Cc1ccc(N(C(C)C)S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1 ZINC000738606812 600084286 /nfs/dbraw/zinc/08/42/86/600084286.db2.gz PIDGPSBYUZVOAS-UHFFFAOYSA-N -1 0 347.436 3.605 20 0 EHADRM Cc1ccccc1C1(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)CC1 ZINC000738760651 600086346 /nfs/dbraw/zinc/08/63/46/600086346.db2.gz JHFRISLHMMHQEV-UHFFFAOYSA-N -1 0 328.343 3.894 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)Cc2c[nH]c3cc(F)ccc23)ccc1F ZINC000740004780 600086436 /nfs/dbraw/zinc/08/64/36/600086436.db2.gz FPVPQGXQKNNESP-UHFFFAOYSA-N -1 0 345.305 3.717 20 0 EHADRM Cn1c(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc2ccccc21 ZINC000739013130 600086616 /nfs/dbraw/zinc/08/66/16/600086616.db2.gz WBYWJUXXJGVZPA-UHFFFAOYSA-N -1 0 327.315 3.660 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2ccc(F)cc2Cl)ccc1F ZINC000740013033 600090454 /nfs/dbraw/zinc/09/04/54/600090454.db2.gz VXWHMDSVDDSZGG-UHFFFAOYSA-N -1 0 326.686 3.960 20 0 EHADRM O=C([O-])c1cccc(C(=O)NC2(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000740215235 600091112 /nfs/dbraw/zinc/09/11/12/600091112.db2.gz QGBRVGWTDNJAFS-UHFFFAOYSA-N -1 0 349.308 3.823 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)NCCCc2cccc(F)c2)cc1 ZINC000737331231 600095804 /nfs/dbraw/zinc/09/58/04/600095804.db2.gz HFJOQQJGVFNMSB-UHFFFAOYSA-N -1 0 345.374 3.694 20 0 EHADRM CSCc1cccc(NC(=O)NCCc2ccc(C(=O)[O-])cc2)c1 ZINC000738196989 600097859 /nfs/dbraw/zinc/09/78/59/600097859.db2.gz VOUDQWYEIYIIOS-UHFFFAOYSA-N -1 0 344.436 3.612 20 0 EHADRM C[C@@H](Oc1ccc(F)cc1)c1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000736703430 600110445 /nfs/dbraw/zinc/11/04/45/600110445.db2.gz TYENHLMLCWNAAT-SNVBAGLBSA-N -1 0 328.299 3.714 20 0 EHADRM Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc(CC(=O)[O-])cc2)s1 ZINC000738845583 600114002 /nfs/dbraw/zinc/11/40/02/600114002.db2.gz VGCMCKABNGUIAH-NSHDSACASA-N -1 0 347.440 3.612 20 0 EHADRM O=C([O-])c1ccc(-c2noc(Cc3c[nH]c4cc(F)ccc34)n2)cc1 ZINC000740101645 600113996 /nfs/dbraw/zinc/11/39/96/600113996.db2.gz PZIRSIKINUUHLJ-UHFFFAOYSA-N -1 0 337.310 3.646 20 0 EHADRM Cc1cnn(-c2ccc(-c3nc(-c4ccc(C(=O)[O-])cc4)no3)cc2)c1 ZINC000738807827 600114843 /nfs/dbraw/zinc/11/48/43/600114843.db2.gz BXBQUFLBKBBNNZ-UHFFFAOYSA-N -1 0 346.346 3.596 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)c1cnc(C(C)(C)C)s1 ZINC000736185150 600124655 /nfs/dbraw/zinc/12/46/55/600124655.db2.gz GEKXIXROBGXLOU-UHFFFAOYSA-N -1 0 347.392 3.561 20 0 EHADRM CC[C@](NCc1ncc(-c2ccccc2)o1)(C(=O)[O-])c1ccccc1 ZINC000736920430 600130609 /nfs/dbraw/zinc/13/06/09/600130609.db2.gz OFXOVWZQDZAYHX-HXUWFJFHSA-N -1 0 336.391 3.821 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)Oc1ccc(C)cc1C(=O)[O-] ZINC000738119381 600131410 /nfs/dbraw/zinc/13/14/10/600131410.db2.gz FPWTZRWBNWVGMO-QBFSEMIESA-N -1 0 326.348 3.711 20 0 EHADRM CC[C@](NC(=O)c1ccc(C(F)F)cc1)(C(=O)[O-])c1ccccc1 ZINC000736917182 600132501 /nfs/dbraw/zinc/13/25/01/600132501.db2.gz QEIAKHXQZSZTRJ-GOSISDBHSA-N -1 0 333.334 3.744 20 0 EHADRM CC[C@@](NC(=O)c1cc(Cl)ccc1F)(C(=O)[O-])c1ccccc1 ZINC000485384481 600133130 /nfs/dbraw/zinc/13/31/30/600133130.db2.gz WPPFQXWLTACLSZ-KRWDZBQOSA-N -1 0 335.762 3.599 20 0 EHADRM CC[C@](NC(=O)c1sc(C(C)C)nc1C)(C(=O)[O-])c1ccccc1 ZINC000562921480 600134197 /nfs/dbraw/zinc/13/41/97/600134197.db2.gz FCPPOXUZDQCZPU-GOSISDBHSA-N -1 0 346.452 3.695 20 0 EHADRM Cc1ccc(OC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)c(C(=O)[O-])c1 ZINC000738639581 600135026 /nfs/dbraw/zinc/13/50/26/600135026.db2.gz SOVBUKGERMBJID-UHFFFAOYSA-N -1 0 342.395 3.741 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000262285848 600143520 /nfs/dbraw/zinc/14/35/20/600143520.db2.gz MIIFYIOXHBYIPL-AWEZNQCLSA-N -1 0 341.407 3.530 20 0 EHADRM Cc1cc(C)c(-c2csc(NC(=O)C(C)(C)NC(=O)[O-])n2)c(C)c1 ZINC000738351373 600150220 /nfs/dbraw/zinc/15/02/20/600150220.db2.gz KXBGGFKYOQLKDX-UHFFFAOYSA-N -1 0 347.440 3.720 20 0 EHADRM Cc1ccc2c(Cl)c(C(=O)N(CC(=O)[O-])C(C)C)sc2c1 ZINC000683452896 600154262 /nfs/dbraw/zinc/15/42/62/600154262.db2.gz AZYCIPALZYHGNV-UHFFFAOYSA-N -1 0 325.817 3.798 20 0 EHADRM Cc1ccc([C@H](CNC(=O)C[C@@H](C)C2CCCCC2)C(=O)[O-])cc1 ZINC000486381360 600164835 /nfs/dbraw/zinc/16/48/35/600164835.db2.gz QYBFUJXQYZEDHH-QAPCUYQASA-N -1 0 331.456 3.886 20 0 EHADRM CCc1ccccc1NC(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000737275199 600176413 /nfs/dbraw/zinc/17/64/13/600176413.db2.gz WCPBMUUHPRJZGI-MRXNPFEDSA-N -1 0 326.396 3.547 20 0 EHADRM CC[C@H](CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000236937719 600187471 /nfs/dbraw/zinc/18/74/71/600187471.db2.gz UNKFLFQOCZSNDO-GFCCVEGCSA-N -1 0 342.351 3.815 20 0 EHADRM CCc1cccc(NC(=S)N2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000737270402 600188820 /nfs/dbraw/zinc/18/88/20/600188820.db2.gz ROFWOOMZKGEBTL-HNNXBMFYSA-N -1 0 326.421 3.634 20 0 EHADRM CC(C)c1ocnc1C(=O)Oc1cc2ccccc2cc1C(=O)[O-] ZINC000736531262 600190705 /nfs/dbraw/zinc/19/07/05/600190705.db2.gz XQBBMAAHMTZWCP-UHFFFAOYSA-N -1 0 325.320 3.869 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1C ZINC000738694165 600191532 /nfs/dbraw/zinc/19/15/32/600191532.db2.gz YIMMCZWKRZREQJ-AWEZNQCLSA-N -1 0 338.407 3.788 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000347144577 600192775 /nfs/dbraw/zinc/19/27/75/600192775.db2.gz XQYRTTMBYKUWFE-MRXNPFEDSA-N -1 0 329.421 3.823 20 0 EHADRM CC(C)C[C@@H](C)CC(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000236736891 600204784 /nfs/dbraw/zinc/20/47/84/600204784.db2.gz ARRPYWVRFOXPNU-CYBMUJFWSA-N -1 0 341.398 3.840 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)C[C@H](C)c1cccc(F)c1 ZINC000737865915 600205825 /nfs/dbraw/zinc/20/58/25/600205825.db2.gz LQLARQFUVMGFEZ-NSHDSACASA-N -1 0 332.327 3.632 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)cc1 ZINC000737329934 600207515 /nfs/dbraw/zinc/20/75/15/600207515.db2.gz OXKYBKUDDAXHQP-STQMWFEESA-N -1 0 346.333 3.821 20 0 EHADRM C[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1)c1cccc(F)c1 ZINC000262629940 600207552 /nfs/dbraw/zinc/20/75/52/600207552.db2.gz OCVUCSDSVVJHSL-YVEFUNNKSA-N -1 0 347.361 3.791 20 0 EHADRM Cc1ccc([C@H]2CSCCN2C(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000237659693 600211001 /nfs/dbraw/zinc/21/10/01/600211001.db2.gz MNCBPTRLUVHZEE-QGZVFWFLSA-N -1 0 341.432 3.624 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC000237569237 600211412 /nfs/dbraw/zinc/21/14/12/600211412.db2.gz IYTOJQCOWSTELI-GFCCVEGCSA-N -1 0 337.379 3.702 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1 ZINC000553204255 600218136 /nfs/dbraw/zinc/21/81/36/600218136.db2.gz KOMNLYWDRNINSG-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM Cc1cc(OS(=O)(=O)Cc2cccc(C(=O)[O-])c2)ccc1C(C)C ZINC000738474093 600220255 /nfs/dbraw/zinc/22/02/55/600220255.db2.gz KMBQFEYJDNIXFG-UHFFFAOYSA-N -1 0 348.420 3.725 20 0 EHADRM Cc1ccc2c(CC(=O)N3C[C@@H](C(=O)[O-])c4ccccc43)coc2c1C ZINC000192948006 600222893 /nfs/dbraw/zinc/22/28/93/600222893.db2.gz GTNPDYSXBAPSNE-QGZVFWFLSA-N -1 0 349.386 3.807 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000736492801 600226328 /nfs/dbraw/zinc/22/63/28/600226328.db2.gz IXISKARAPJQJCS-UHFFFAOYSA-N -1 0 344.367 3.581 20 0 EHADRM O=C([O-])C1(NC(=O)CCc2cc(Cl)cs2)CCCCCC1 ZINC000431972059 600246650 /nfs/dbraw/zinc/24/66/50/600246650.db2.gz JCNFZMFUCLIEFX-UHFFFAOYSA-N -1 0 329.849 3.628 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)C[C@H](C)c1cccc(F)c1 ZINC000738083443 600247841 /nfs/dbraw/zinc/24/78/41/600247841.db2.gz BOAYOYVBHNGTBU-NSHDSACASA-N -1 0 332.327 3.632 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000738085322 600248362 /nfs/dbraw/zinc/24/83/62/600248362.db2.gz NONGKEGERVEYEJ-NXEZZACHSA-N -1 0 346.301 3.668 20 0 EHADRM O=C([O-])CSCCC(=O)O[C@H]1CCCC[C@H]1c1ccc(F)cc1 ZINC000739854424 600250444 /nfs/dbraw/zinc/25/04/44/600250444.db2.gz XNLRGFLSZFLJOW-GJZGRUSLSA-N -1 0 340.416 3.603 20 0 EHADRM Cc1oc(CN(C)C(=O)CCc2cc(Cl)cs2)cc1C(=O)[O-] ZINC000262553822 600256390 /nfs/dbraw/zinc/25/63/90/600256390.db2.gz XTQSSKIKCOBGAZ-UHFFFAOYSA-N -1 0 341.816 3.592 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC000736890890 600256474 /nfs/dbraw/zinc/25/64/74/600256474.db2.gz JRSDNLXVFTYKBB-XPSMFNQNSA-N -1 0 342.395 3.851 20 0 EHADRM O=C([O-])[C@H](Nc1ccc(OCC2CCOCC2)cc1)c1ccccc1 ZINC000738524503 600267072 /nfs/dbraw/zinc/26/70/72/600267072.db2.gz HMZCOWFQLSTSTR-LJQANCHMSA-N -1 0 341.407 3.730 20 0 EHADRM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000736765139 600267246 /nfs/dbraw/zinc/26/72/46/600267246.db2.gz YKBOYKYNEROGFH-DOMZBBRYSA-N -1 0 342.370 3.934 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(C(=O)c1cc3c(ccc4ccccc34)[nH]1)CC2 ZINC000263275637 600267803 /nfs/dbraw/zinc/26/78/03/600267803.db2.gz QOMMMUOKNNRCFJ-INIZCTEOSA-N -1 0 348.402 3.648 20 0 EHADRM Cc1nn(C)c(Cl)c1CSc1nc2ccc(C(=O)[O-])cc2o1 ZINC000738916150 600275895 /nfs/dbraw/zinc/27/58/95/600275895.db2.gz YHNABNPMXMXUOF-UHFFFAOYSA-N -1 0 337.788 3.514 20 0 EHADRM Cc1ccc(NC(=O)CSc2nc3ccc(C(=O)[O-])cc3o2)cc1 ZINC000738626473 600278324 /nfs/dbraw/zinc/27/83/24/600278324.db2.gz RRHGEKRYCIHJBO-UHFFFAOYSA-N -1 0 342.376 3.565 20 0 EHADRM Cc1[nH]c2ccc(C(=O)N3C[C@H](C(=O)[O-])c4ccccc43)cc2c1C ZINC000177475630 600279933 /nfs/dbraw/zinc/27/99/33/600279933.db2.gz OHMYSWHJZFMXGG-INIZCTEOSA-N -1 0 334.375 3.613 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(C(=O)N2CCC[C@@H]2C(=O)[O-])cc1F ZINC000237649783 600280490 /nfs/dbraw/zinc/28/04/90/600280490.db2.gz ZCSQFKCBAPMDHZ-QGZVFWFLSA-N -1 0 345.345 3.629 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N2CC[C@H](c3ccco3)C2)c1 ZINC000740073929 600282035 /nfs/dbraw/zinc/28/20/35/600282035.db2.gz ANFOIFZWMGHKBQ-JTQLQIEISA-N -1 0 334.759 3.653 20 0 EHADRM CN(Cc1ccc(NC(=O)c2ccc(Cl)cc2F)cc1)C(=O)[O-] ZINC000737485154 600282760 /nfs/dbraw/zinc/28/27/60/600282760.db2.gz BMHBISGZNHATGY-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM O=C([O-])c1cccc(CNc2cc(N3CCCC3=O)ccc2Cl)c1 ZINC000740220837 600284688 /nfs/dbraw/zinc/28/46/88/600284688.db2.gz JEOROKUKQBHCOR-UHFFFAOYSA-N -1 0 344.798 3.777 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)NCc2ccc(F)cc2F)c1 ZINC000390990488 600286454 /nfs/dbraw/zinc/28/64/54/600286454.db2.gz JMNQMUBHLSQMPF-UHFFFAOYSA-N -1 0 340.713 3.638 20 0 EHADRM CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C1(C)C ZINC000736344280 600287188 /nfs/dbraw/zinc/28/71/88/600287188.db2.gz YGHYLGKMKHIMDT-HOTGVXAUSA-N -1 0 330.428 3.973 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C1(C)C ZINC000736344281 600287775 /nfs/dbraw/zinc/28/77/75/600287775.db2.gz YGHYLGKMKHIMDT-HZPDHXFCSA-N -1 0 330.428 3.973 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)NCCc2ccc(F)cc2)c1 ZINC000391395503 600289363 /nfs/dbraw/zinc/28/93/63/600289363.db2.gz LMHLDDDQHLGOIM-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)cc1 ZINC000739984560 600290103 /nfs/dbraw/zinc/29/01/03/600290103.db2.gz HBFPSFNTNYXCMX-HOTGVXAUSA-N -1 0 344.798 3.850 20 0 EHADRM C[C@H](NC(=O)NCCCCCCC(=O)[O-])c1ccc(F)cc1Cl ZINC000736648019 600293255 /nfs/dbraw/zinc/29/32/55/600293255.db2.gz WTYYCNNEGSWCCG-NSHDSACASA-N -1 0 344.814 3.874 20 0 EHADRM CN(Cc1ccc(NC(=O)c2csc3c2CCCC3)cc1)C(=O)[O-] ZINC000737486123 600307064 /nfs/dbraw/zinc/30/70/64/600307064.db2.gz PJJQOMUYUYYJON-UHFFFAOYSA-N -1 0 344.436 3.989 20 0 EHADRM CSc1ccc(C)c(C(=O)Nc2ccc(CNC(=O)[O-])cc2)c1 ZINC000738214343 600308982 /nfs/dbraw/zinc/30/89/82/600308982.db2.gz YRQQGZIPUYGDIG-UHFFFAOYSA-N -1 0 330.409 3.737 20 0 EHADRM Cn1c2ccccc2nc1[C@@H]1CCCCN1Cc1cccc(C(=O)[O-])c1 ZINC000739012393 600314974 /nfs/dbraw/zinc/31/49/74/600314974.db2.gz CASQDYBLPATNQQ-IBGZPJMESA-N -1 0 349.434 3.999 20 0 EHADRM O=C([O-])[C@H](OC(=O)CCCOc1ccccc1)c1cccc(Cl)c1 ZINC000739236811 600320356 /nfs/dbraw/zinc/32/03/56/600320356.db2.gz SWASUHMKZXSJBX-QGZVFWFLSA-N -1 0 348.782 3.868 20 0 EHADRM CCOc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000737195271 600321057 /nfs/dbraw/zinc/32/10/57/600321057.db2.gz NVPNWDCWFVBWJS-OAHLLOKOSA-N -1 0 334.755 3.721 20 0 EHADRM COc1ccc(/C=C\C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000737983788 600321322 /nfs/dbraw/zinc/32/13/22/600321322.db2.gz XHFZMQOYWHUUKK-CGQZWFTASA-N -1 0 346.766 3.731 20 0 EHADRM O=C([O-])[C@@H](OC(=O)CCc1ccccc1F)c1cccc(Cl)c1 ZINC000739259230 600321702 /nfs/dbraw/zinc/32/17/02/600321702.db2.gz LEXFEHVQARZNOG-INIZCTEOSA-N -1 0 336.746 3.781 20 0 EHADRM CC(=O)c1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)s1 ZINC000736191263 600322357 /nfs/dbraw/zinc/32/23/57/600322357.db2.gz ADXWHKNGYYRAAO-CYBMUJFWSA-N -1 0 338.768 3.587 20 0 EHADRM Cn1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)c2ccccc21 ZINC000739028447 600323306 /nfs/dbraw/zinc/32/33/06/600323306.db2.gz WMSFEMQQBUECPG-MRXNPFEDSA-N -1 0 343.766 3.814 20 0 EHADRM Nc1c(Cl)cccc1C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000739202897 600324586 /nfs/dbraw/zinc/32/45/86/600324586.db2.gz BWPVBSBICACIHT-CYBMUJFWSA-N -1 0 340.162 3.558 20 0 EHADRM Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(CNC(=O)[O-])cc2)c(C)c1 ZINC000738615556 600327212 /nfs/dbraw/zinc/32/72/12/600327212.db2.gz MWTRAPXUCQVRRO-CQSZACIVSA-N -1 0 341.411 3.510 20 0 EHADRM C[C@@H](Nc1ccc(CNC(=O)[O-])cc1)C(=O)Nc1ccccc1Cl ZINC000736670667 600327831 /nfs/dbraw/zinc/32/78/31/600327831.db2.gz GKKXKYAASALLKX-LLVKDONJSA-N -1 0 347.802 3.547 20 0 EHADRM Cc1ccc(C)c(CC(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000738573682 600329981 /nfs/dbraw/zinc/32/99/81/600329981.db2.gz SQNMKNVKUYHVNI-QGZVFWFLSA-N -1 0 332.783 3.868 20 0 EHADRM CC[C@@H](Nc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000736925040 600330576 /nfs/dbraw/zinc/33/05/76/600330576.db2.gz PTSHOMJVJXRGDZ-CVEARBPZSA-N -1 0 347.798 3.900 20 0 EHADRM Cc1oc(CN2[C@H](C)CO[C@H](c3ccccc3)[C@H]2C)cc1C(=O)[O-] ZINC000738981839 600332025 /nfs/dbraw/zinc/33/20/25/600332025.db2.gz ZSOJAWZVODFEOL-VFVRVIDISA-N -1 0 329.396 3.637 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC000405372456 600337001 /nfs/dbraw/zinc/33/70/01/600337001.db2.gz AOYYEDHZQAKGNN-XJKSGUPXSA-N -1 0 346.427 3.583 20 0 EHADRM C[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736781999 600343601 /nfs/dbraw/zinc/34/36/01/600343601.db2.gz BNQOVZWLXIGVBL-CJNGLKHVSA-N -1 0 333.432 3.839 20 0 EHADRM C[C@H](SCc1noc(CCC(=O)[O-])n1)c1ccc(F)c(Cl)c1 ZINC000736709415 600351403 /nfs/dbraw/zinc/35/14/03/600351403.db2.gz QCVSBBUQDBOACZ-QMMMGPOBSA-N -1 0 344.795 3.874 20 0 EHADRM CCC[C@@H](NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)C1CCCCC1 ZINC000736972458 600351559 /nfs/dbraw/zinc/35/15/59/600351559.db2.gz FUAUWRYFMOPSSG-HZPDHXFCSA-N -1 0 336.476 3.632 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)[C@@H](C)CSc1ccccc1 ZINC000738963121 600371418 /nfs/dbraw/zinc/37/14/18/600371418.db2.gz HXTRSIMLOZQIBH-NSHDSACASA-N -1 0 334.393 3.758 20 0 EHADRM Cc1cc(COC(=O)c2ccc(-c3ccccc3)[nH]2)oc1C(=O)[O-] ZINC000738393643 600371710 /nfs/dbraw/zinc/37/17/10/600371710.db2.gz XHERAKJXUVNRGZ-UHFFFAOYSA-N -1 0 325.320 3.638 20 0 EHADRM Cc1cc(NC(=O)c2csc(-c3ccoc3)n2)sc1C(=O)[O-] ZINC000738239670 600371970 /nfs/dbraw/zinc/37/19/70/600371970.db2.gz JJMGFJPRCAHDJT-UHFFFAOYSA-N -1 0 334.378 3.724 20 0 EHADRM C[C@H](C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)c1ccsc1 ZINC000736213762 600373622 /nfs/dbraw/zinc/37/36/22/600373622.db2.gz BSDRJUVCSSWYIA-LBPRGKRZSA-N -1 0 344.436 3.789 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC000736628475 600374437 /nfs/dbraw/zinc/37/44/37/600374437.db2.gz XRVLPZJSNNOXFD-ZDUSSCGKSA-N -1 0 341.382 3.682 20 0 EHADRM CCC[C@](C)(NC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000236818056 600374842 /nfs/dbraw/zinc/37/48/42/600374842.db2.gz JFKCCAHXBYIHSA-ZBEGNZNMSA-N -1 0 345.361 3.644 20 0 EHADRM CC[C@](C)(NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000262508662 600376802 /nfs/dbraw/zinc/37/68/02/600376802.db2.gz ZVXZOUPCFTXXBK-BMIGLBTASA-N -1 0 331.334 3.569 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000237365280 600378188 /nfs/dbraw/zinc/37/81/88/600378188.db2.gz RHTCDKWGIZMFLR-ZDUSSCGKSA-N -1 0 329.371 3.660 20 0 EHADRM O=C([O-])c1cc(NC(=O)NC[C@@H]2CCc3ccccc32)c(F)cc1F ZINC000739415845 600379424 /nfs/dbraw/zinc/37/94/24/600379424.db2.gz WEXHDOMCPVGDFQ-NSHDSACASA-N -1 0 346.333 3.515 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)/C=C/c2ccnc3ccccc23)c1 ZINC000191055937 600380781 /nfs/dbraw/zinc/38/07/81/600380781.db2.gz QCXHEKCRNBCUNW-SOFGYWHQSA-N -1 0 336.322 3.724 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cc2cc(F)ccc2o1)c1ccc(F)cc1 ZINC000532556366 600382543 /nfs/dbraw/zinc/38/25/43/600382543.db2.gz GWOJJKILOZEXHS-CQSZACIVSA-N -1 0 345.301 3.657 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)C[C@H]2CCOc3ccccc32)cc1 ZINC000737329926 600382775 /nfs/dbraw/zinc/38/27/75/600382775.db2.gz ARYZHSNNPRTJHS-CYBMUJFWSA-N -1 0 340.379 3.696 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)/C=C\c2ccnc3ccccc23)cc1 ZINC000493406614 600383306 /nfs/dbraw/zinc/38/33/06/600383306.db2.gz ZVAWDGSLFUJBLJ-FLIBITNWSA-N -1 0 346.386 3.904 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@@H](c2ccccc2)C2CC2)ccc1F ZINC000739474609 600384719 /nfs/dbraw/zinc/38/47/19/600384719.db2.gz ZDJIHMAUKKSNFZ-INIZCTEOSA-N -1 0 328.343 3.797 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1ccc(SC)cc1)c1ccccc1 ZINC000736852365 600384813 /nfs/dbraw/zinc/38/48/13/600384813.db2.gz WVABVUNEKMUPOC-INIZCTEOSA-N -1 0 329.421 3.919 20 0 EHADRM CCc1ccc(CCC(=O)NCCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000737260500 600385022 /nfs/dbraw/zinc/38/50/22/600385022.db2.gz QKDDJEAIKDPOKA-UHFFFAOYSA-N -1 0 340.423 3.630 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)/C=C\c1ccccc1F)c1ccccc1 ZINC000736846973 600385429 /nfs/dbraw/zinc/38/54/29/600385429.db2.gz JSBKIIZVJYIQNW-QOHRORDFSA-N -1 0 327.355 3.735 20 0 EHADRM O=C([O-])c1cc(NC(=O)NCc2cc3c(s2)CCCC3)ccc1F ZINC000739435374 600385736 /nfs/dbraw/zinc/38/57/36/600385736.db2.gz ABCZQMFDFMRSOY-UHFFFAOYSA-N -1 0 348.399 3.786 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1ccc2ncccc2c1)c1ccccc1 ZINC000736850412 600386524 /nfs/dbraw/zinc/38/65/24/600386524.db2.gz HEQOVYKGHVTHCQ-SFHVURJKSA-N -1 0 334.375 3.745 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1csc(CC(C)C)n1)c1ccccc1 ZINC000736851610 600386772 /nfs/dbraw/zinc/38/67/72/600386772.db2.gz RFEXMVWPFLDYOO-OAHLLOKOSA-N -1 0 346.452 3.852 20 0 EHADRM O=C([O-])c1cc(NC(=O)NC2(c3ccccc3)CCC2)ccc1F ZINC000739472929 600387920 /nfs/dbraw/zinc/38/79/20/600387920.db2.gz RSUTTXBZYQTTAC-UHFFFAOYSA-N -1 0 328.343 3.725 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1csc(C(C)(C)C)n1)c1ccccc1 ZINC000736849875 600388215 /nfs/dbraw/zinc/38/82/15/600388215.db2.gz ATPOWCACOCUJIF-CQSZACIVSA-N -1 0 346.452 3.951 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)c2cc3ccccc3s2)cc1 ZINC000740021170 600388660 /nfs/dbraw/zinc/38/86/60/600388660.db2.gz WZAILVWGJHFDBI-UHFFFAOYSA-N -1 0 340.404 3.964 20 0 EHADRM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000736823231 600392350 /nfs/dbraw/zinc/39/23/50/600392350.db2.gz BNWAMULRRSCGHK-PXAZEXFGSA-N -1 0 339.395 3.856 20 0 EHADRM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736824775 600393048 /nfs/dbraw/zinc/39/30/48/600393048.db2.gz IIGDPUVGMJJFJV-HWPZZCPQSA-N -1 0 343.358 3.971 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H]2CCc3c2cccc3Cl)c(F)c1 ZINC000739466769 600401668 /nfs/dbraw/zinc/40/16/68/600401668.db2.gz JTQMMHWSRPUWTK-AWEZNQCLSA-N -1 0 348.761 3.986 20 0 EHADRM Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)n1C ZINC000362668470 600415429 /nfs/dbraw/zinc/41/54/29/600415429.db2.gz HSPOWADQGLSZNX-MRXNPFEDSA-N -1 0 342.439 3.577 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000236838421 600416904 /nfs/dbraw/zinc/41/69/04/600416904.db2.gz LGWKTXYQLFSDNZ-SJORKVTESA-N -1 0 325.408 3.703 20 0 EHADRM CCn1c(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)nc2ccccc21 ZINC000562343933 600417866 /nfs/dbraw/zinc/41/78/66/600417866.db2.gz PDWQQSMXXUMSDL-QGZVFWFLSA-N -1 0 343.814 3.625 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C\C(=O)NC(C)(C)CCC(=O)[O-] ZINC000736893168 600418240 /nfs/dbraw/zinc/41/82/40/600418240.db2.gz YXSHCCMEXHBXJF-IWMPZKFUSA-N -1 0 333.428 3.637 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C[C@H]1CCc2ccccc2C1)c1ccccc1 ZINC000262338280 600425154 /nfs/dbraw/zinc/42/51/54/600425154.db2.gz XVGVGAUUANEAPT-HNAYVOBHSA-N -1 0 337.419 3.514 20 0 EHADRM CCOC(=O)N(C)c1ccc(N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000737144448 600427373 /nfs/dbraw/zinc/42/73/73/600427373.db2.gz PSPYUOJUVRRROX-INIZCTEOSA-N -1 0 346.358 3.656 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)C[C@H]2CCc3ccccc3C2)c1 ZINC000737934535 600427651 /nfs/dbraw/zinc/42/76/51/600427651.db2.gz GVHAJBLSGLYPRL-ZDUSSCGKSA-N -1 0 339.391 3.527 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC000738263455 600429772 /nfs/dbraw/zinc/42/97/72/600429772.db2.gz YFCALCQKKGMXSU-UHFFFAOYSA-N -1 0 330.340 3.694 20 0 EHADRM O=C([O-])[C@@H](Nc1ccc2c(c1)CCCC(=O)N2)c1cccc(Cl)c1 ZINC000740303289 600435148 /nfs/dbraw/zinc/43/51/48/600435148.db2.gz GWXCECCPKQWIPB-KRWDZBQOSA-N -1 0 344.798 3.853 20 0 EHADRM C[C@H](OC(=O)C[C@H]1CCc2ccccc2C1)c1ccc(C(=O)[O-])o1 ZINC000736686583 600436164 /nfs/dbraw/zinc/43/61/64/600436164.db2.gz UXXCLXGCZPCEJP-STQMWFEESA-N -1 0 328.364 3.777 20 0 EHADRM CCS[C@@H]1CCCCN(C(=O)Nc2cc(C(=O)[O-])ccc2F)C1 ZINC000737229472 600436726 /nfs/dbraw/zinc/43/67/26/600436726.db2.gz LEYNOODKDNAWAR-GFCCVEGCSA-N -1 0 340.420 3.663 20 0 EHADRM CC(C)Oc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000736491069 600442212 /nfs/dbraw/zinc/44/22/12/600442212.db2.gz IJUTTYNOEGQTQX-INIZCTEOSA-N -1 0 332.327 3.596 20 0 EHADRM Cc1ccc(SCCC(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000738667819 600443703 /nfs/dbraw/zinc/44/37/03/600443703.db2.gz ITLDAXVVFDGLMR-QGZVFWFLSA-N -1 0 348.395 3.985 20 0 EHADRM O=C([O-])[C@@H](OC(=O)/C=C\c1ccc(Cl)s1)c1ccc(F)cc1 ZINC000739213983 600446969 /nfs/dbraw/zinc/44/69/69/600446969.db2.gz BACIZOMCVMMRIV-QPBFKRLHSA-N -1 0 340.759 3.923 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)c2ccc3c(c2)OCO3)s1 ZINC000736293629 600450310 /nfs/dbraw/zinc/45/03/10/600450310.db2.gz DBZCTIULEDPNER-UHFFFAOYSA-N -1 0 347.392 3.725 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)OCc1cn2cccc(C(=O)[O-])c2n1 ZINC000736903798 600453841 /nfs/dbraw/zinc/45/38/41/600453841.db2.gz BYUBBLNIYFTRPA-CQSZACIVSA-N -1 0 344.411 3.682 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738120161 600454741 /nfs/dbraw/zinc/45/47/41/600454741.db2.gz JDEASJHKKJASPK-JYBLJSLWSA-N -1 0 344.338 3.607 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CCNC(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000736780149 600455123 /nfs/dbraw/zinc/45/51/23/600455123.db2.gz KOSXNFVNOSOMHY-HUUCEWRRSA-N -1 0 348.443 3.878 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CCc2cc(F)ccc2[C@@H]1C ZINC000738534647 600455392 /nfs/dbraw/zinc/45/53/92/600455392.db2.gz YUJHDQRABKYSAS-LBPRGKRZSA-N -1 0 342.370 3.984 20 0 EHADRM CN(C(=O)Nc1ccc(F)c(C(=O)[O-])c1)[C@@H]1CCc2ccccc2C1 ZINC000737328720 600455592 /nfs/dbraw/zinc/45/55/92/600455592.db2.gz IWGLBUDNECPTRM-OAHLLOKOSA-N -1 0 342.370 3.545 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)N2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000740140146 600455993 /nfs/dbraw/zinc/45/59/93/600455993.db2.gz BLCKEGQOZYCWEO-SFHVURJKSA-N -1 0 332.375 3.878 20 0 EHADRM CC[C@@H](NC(=O)NCCCCCC(=O)[O-])c1ccc(Cl)s1 ZINC000414631658 600456119 /nfs/dbraw/zinc/45/61/19/600456119.db2.gz RBSJWCOGJJYOOW-SNVBAGLBSA-N -1 0 332.853 3.797 20 0 EHADRM CN(C(=O)Nc1ccc(C(=O)[O-])cc1F)[C@H]1CCc2ccccc2C1 ZINC000737328013 600456540 /nfs/dbraw/zinc/45/65/40/600456540.db2.gz ZQKPCAZMBIYUDD-HNNXBMFYSA-N -1 0 342.370 3.545 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)NC2CCCCCCC2)cc1 ZINC000740018129 600456623 /nfs/dbraw/zinc/45/66/23/600456623.db2.gz PLPBLTQUZVDTBE-UHFFFAOYSA-N -1 0 333.432 3.731 20 0 EHADRM Cc1ccc2[nH]c(C(=O)O[C@@H](C(=O)[O-])c3ccc(F)cc3)cc2c1C ZINC000738668087 600457641 /nfs/dbraw/zinc/45/76/41/600457641.db2.gz XSUZEFKQRZPJNG-QGZVFWFLSA-N -1 0 341.338 3.907 20 0 EHADRM Cc1cc(F)cc2[nH]c(C(=O)O[C@@H](C(=O)[O-])c3ccc(F)cc3)cc21 ZINC000738397576 600457664 /nfs/dbraw/zinc/45/76/64/600457664.db2.gz SYGGLUAXJYNHIM-MRXNPFEDSA-N -1 0 345.301 3.737 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N[C@@H]2CSc3ccccc32)ccc1F ZINC000740004459 600463732 /nfs/dbraw/zinc/46/37/32/600463732.db2.gz BYWGEJLYGJFNHY-CYBMUJFWSA-N -1 0 347.371 3.884 20 0 EHADRM C[C@H](CN(C)C(=O)c1ccc(Oc2ccc(F)cc2F)cc1)C(=O)[O-] ZINC000237579774 600465329 /nfs/dbraw/zinc/46/53/29/600465329.db2.gz IFVFPYOCYPTRSI-LLVKDONJSA-N -1 0 349.333 3.550 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736625881 600467525 /nfs/dbraw/zinc/46/75/25/600467525.db2.gz IYIURSBDZICYHG-MEDUHNTESA-N -1 0 334.318 3.513 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2CSc3ccccc32)ccc1Cl ZINC000317457631 600474962 /nfs/dbraw/zinc/47/49/62/600474962.db2.gz OIQJGWYIRJKNMU-LBPRGKRZSA-N -1 0 333.796 3.866 20 0 EHADRM C[C@@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000736840062 600475058 /nfs/dbraw/zinc/47/50/58/600475058.db2.gz JSMUQTGIPPZCSQ-LLVKDONJSA-N -1 0 328.343 3.675 20 0 EHADRM CC[C@@H](c1ccncc1)N(C)C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000736928899 600475652 /nfs/dbraw/zinc/47/56/52/600475652.db2.gz HHHIEFVFRHCYQC-INIZCTEOSA-N -1 0 327.384 3.703 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2ccc(-c3ccccc3Cl)o2)o1 ZINC000238133981 600478366 /nfs/dbraw/zinc/47/83/66/600478366.db2.gz JVAYEBXOQXSCEQ-UHFFFAOYSA-N -1 0 345.738 3.821 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)N2CCC3(CCCC3)CC2)cc1 ZINC000737331306 600479052 /nfs/dbraw/zinc/47/90/52/600479052.db2.gz HUBCRWCUFGTEJV-UHFFFAOYSA-N -1 0 331.416 3.989 20 0 EHADRM CSc1ccccc1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000345869896 600480969 /nfs/dbraw/zinc/48/09/69/600480969.db2.gz UZOSDMAQSVZYGW-UHFFFAOYSA-N -1 0 345.420 3.904 20 0 EHADRM CC[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000736929381 600480973 /nfs/dbraw/zinc/48/09/73/600480973.db2.gz JKHHODOKRJMFTA-INIZCTEOSA-N -1 0 327.384 3.703 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cccc(Nc2ccccc2)c1)c1ccccc1 ZINC000426707738 600484053 /nfs/dbraw/zinc/48/40/53/600484053.db2.gz CLFDKVQMXNACTE-IBGZPJMESA-N -1 0 346.386 3.986 20 0 EHADRM C[C@H](CN(C(=O)c1cccc(Nc2ccccc2)c1)C1CC1)C(=O)[O-] ZINC000736566754 600485102 /nfs/dbraw/zinc/48/51/02/600485102.db2.gz YONNSWXYUWXCOZ-CQSZACIVSA-N -1 0 338.407 3.756 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000262977959 600486022 /nfs/dbraw/zinc/48/60/22/600486022.db2.gz KNVQXLHVJJGZIV-GXSJLCMTSA-N -1 0 345.226 3.561 20 0 EHADRM CCCc1ccc([C@H](NC(=O)N2CCC[C@@H](C(=O)[O-])C2)C(C)C)cc1 ZINC000737045176 600487012 /nfs/dbraw/zinc/48/70/12/600487012.db2.gz OTUMVIFFKJMXKF-QZTJIDSGSA-N -1 0 346.471 3.842 20 0 EHADRM Cc1cc(COc2ccc(Br)c(F)c2)oc1C(=O)[O-] ZINC000087429844 600498847 /nfs/dbraw/zinc/49/88/47/600498847.db2.gz BFZDDRWRNNQIIQ-UHFFFAOYSA-N -1 0 329.121 3.767 20 0 EHADRM CCN(C(=O)NCCc1ccc(NC(=O)[O-])cc1)C1CCCCC1 ZINC000737060538 600499088 /nfs/dbraw/zinc/49/90/88/600499088.db2.gz WMRBXGUMXRCMPG-UHFFFAOYSA-N -1 0 333.432 3.683 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(C(=O)[O-])cc1F)c1cccc(F)c1 ZINC000736321805 600505549 /nfs/dbraw/zinc/50/55/49/600505549.db2.gz IBYRGANGPQIGOT-UHFFFAOYSA-N -1 0 348.349 3.762 20 0 EHADRM CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000736250940 600505671 /nfs/dbraw/zinc/50/56/71/600505671.db2.gz MWCUIXNOWBQRQE-WFASDCNBSA-N -1 0 349.431 3.739 20 0 EHADRM COc1ccc(C)cc1CNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000737972877 600511251 /nfs/dbraw/zinc/51/12/51/600511251.db2.gz OMIRCQXHTBYAOX-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM CC1(C)C[C@@H]1CNC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000736726858 600512640 /nfs/dbraw/zinc/51/26/40/600512640.db2.gz ROFDNVSSBCIJAB-CYBMUJFWSA-N -1 0 336.457 3.562 20 0 EHADRM Cc1cccc([C@@H](C)C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])c1 ZINC000237402909 600525842 /nfs/dbraw/zinc/52/58/42/600525842.db2.gz XVIRCTBNXXHKNC-IAGOWNOFSA-N -1 0 339.435 3.848 20 0 EHADRM Cc1cccc([C@H](C)C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000139365027 600526265 /nfs/dbraw/zinc/52/62/65/600526265.db2.gz VPMGCLUFCAZPHG-YJBOKZPZSA-N -1 0 325.408 3.821 20 0 EHADRM Cc1csc(-c2cccc(C(=O)Nc3cc(C)[nH]c3C(=O)[O-])c2)n1 ZINC000738814887 600527593 /nfs/dbraw/zinc/52/75/93/600527593.db2.gz YKMJCPOKMASJTO-UHFFFAOYSA-N -1 0 341.392 3.706 20 0 EHADRM Cc1cc(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c(C)n1C1CCCCC1 ZINC000675985038 600528760 /nfs/dbraw/zinc/52/87/60/600528760.db2.gz BMMCBGVPVZPVHX-INIZCTEOSA-N -1 0 334.460 3.839 20 0 EHADRM CCN(C(=O)c1ccc(-n2cccc2)cc1)c1ccccc1C(=O)[O-] ZINC000737057577 600532118 /nfs/dbraw/zinc/53/21/18/600532118.db2.gz HPTDWBWNHSMLFV-UHFFFAOYSA-N -1 0 334.375 3.842 20 0 EHADRM CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000736344014 600533158 /nfs/dbraw/zinc/53/31/58/600533158.db2.gz PNTLZJUTSZINMC-UHFFFAOYSA-N -1 0 339.800 3.896 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000736927781 600533478 /nfs/dbraw/zinc/53/34/78/600533478.db2.gz FSYZSCOMOYZEOR-GOEBONIOSA-N -1 0 335.444 3.583 20 0 EHADRM C[C@@H]1CCC[C@H](OCC(=O)Nc2ccc(Cl)cc2C(=O)[O-])C1 ZINC000736775417 600533843 /nfs/dbraw/zinc/53/38/43/600533843.db2.gz LZNQPBNARIAPNX-PWSUYJOCSA-N -1 0 325.792 3.572 20 0 EHADRM C[C@H]1CCC[C@@H](OCC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000676001871 600533928 /nfs/dbraw/zinc/53/39/28/600533928.db2.gz CFAVNYVMSOFKGI-CMPLNLGQSA-N -1 0 325.792 3.572 20 0 EHADRM CC(C)[C@@H](c1ccccc1)N(C)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000262083321 600534692 /nfs/dbraw/zinc/53/46/92/600534692.db2.gz HBLBZDDCLMYROY-IBGZPJMESA-N -1 0 341.407 3.619 20 0 EHADRM CC(C)[C@H](c1ccccc1)N(C)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000262083326 600534884 /nfs/dbraw/zinc/53/48/84/600534884.db2.gz HBLBZDDCLMYROY-LJQANCHMSA-N -1 0 341.407 3.619 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc3ccccc3c2)cc([N+](=O)[O-])c1 ZINC000238192684 600542134 /nfs/dbraw/zinc/54/21/34/600542134.db2.gz CAVVUYWJNMMZCF-UHFFFAOYSA-N -1 0 336.303 3.699 20 0 EHADRM CC(C)(Oc1cccc(Cl)c1)C(=O)OCc1ccoc1C(=O)[O-] ZINC000736343748 600545067 /nfs/dbraw/zinc/54/50/67/600545067.db2.gz KRQISRHZLQJSMV-UHFFFAOYSA-N -1 0 338.743 3.532 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])s1)c1ncc(-c2ccccc2)o1 ZINC000237525968 600551159 /nfs/dbraw/zinc/55/11/59/600551159.db2.gz ATSAMUJVGSCCES-SNVBAGLBSA-N -1 0 342.376 3.592 20 0 EHADRM C[C@H](C(=O)N1CCCC[C@H]1CC(=O)[O-])c1c(Cl)cccc1Cl ZINC000666364409 600553613 /nfs/dbraw/zinc/55/36/13/600553613.db2.gz YQDUUFXIWAJUMN-QWRGUYRKSA-N -1 0 344.238 3.953 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)CO[C@@H]1CCCC[C@H]1C ZINC000262440540 600554014 /nfs/dbraw/zinc/55/40/14/600554014.db2.gz UNPBXTLWWBBFBE-CZUORRHYSA-N -1 0 349.427 3.706 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)NCc2ccc3ccccc3n2)cc1 ZINC000739760715 600558640 /nfs/dbraw/zinc/55/86/40/600558640.db2.gz ZIYUKVGTCJUYGE-UHFFFAOYSA-N -1 0 349.390 3.574 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1sc2ccccc2c1Cl ZINC000037585101 600561401 /nfs/dbraw/zinc/56/14/01/600561401.db2.gz WUZMNQRLYMVOSV-UHFFFAOYSA-N -1 0 325.817 3.880 20 0 EHADRM Cc1cc(NC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)c(C(=O)[O-])[nH]1 ZINC000391263471 600568661 /nfs/dbraw/zinc/56/86/61/600568661.db2.gz VTYGZPQQIBJMHS-JTQLQIEISA-N -1 0 335.791 3.900 20 0 EHADRM Cc1cc(NC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)c(C(=O)[O-])[nH]1 ZINC000738437378 600569231 /nfs/dbraw/zinc/56/92/31/600569231.db2.gz GEGNGJCLXABJTB-VIFPVBQESA-N -1 0 337.326 3.524 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N[C@@H]1CCSc2ccccc21 ZINC000740048165 600571272 /nfs/dbraw/zinc/57/12/72/600571272.db2.gz ZDNSLVMOPZXTRX-CQSZACIVSA-N -1 0 328.393 3.743 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)Cc2c[nH]c3ccc(F)cc23)ccc1F ZINC000740006737 600572855 /nfs/dbraw/zinc/57/28/55/600572855.db2.gz WFOOKQAGOPBQBF-UHFFFAOYSA-N -1 0 345.305 3.717 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)Nc1cccc(COCC2CC2)c1 ZINC000740055719 600574581 /nfs/dbraw/zinc/57/45/81/600574581.db2.gz HDPBXQWZPAYVFO-UHFFFAOYSA-N -1 0 340.379 3.955 20 0 EHADRM Cc1ccc2nc(NC(=O)c3ccccc3NC(=O)[O-])sc2c1 ZINC000738677607 600577544 /nfs/dbraw/zinc/57/75/44/600577544.db2.gz VBTWNTMTOZQGJZ-UHFFFAOYSA-N -1 0 327.365 3.947 20 0 EHADRM C[C@@H](CC(=O)[O-])SCC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000736554288 600582688 /nfs/dbraw/zinc/58/26/88/600582688.db2.gz XLOBRNLBWZWEJM-IINYFYTJSA-N -1 0 329.487 3.548 20 0 EHADRM C[C@@H]1CCCC[C@@H]1NC(=S)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000736783036 600582824 /nfs/dbraw/zinc/58/28/24/600582824.db2.gz FNOFTXJSCLVHSM-RNCFNFMXSA-N -1 0 326.849 3.903 20 0 EHADRM C[C@H](CC(=O)[O-])S[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000736552604 600583548 /nfs/dbraw/zinc/58/35/48/600583548.db2.gz NWNFVYRUDALLNI-GMTAPVOTSA-N -1 0 329.849 3.502 20 0 EHADRM C[C@@H](CC(=O)[O-])SCC(=O)Nc1ccccc1SC(F)F ZINC000736552832 600583658 /nfs/dbraw/zinc/58/36/58/600583658.db2.gz RTEDOBZBNXUBLZ-QMMMGPOBSA-N -1 0 335.397 3.536 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1cc2occc2s1 ZINC000738476175 600586211 /nfs/dbraw/zinc/58/62/11/600586211.db2.gz LROCAGQBCQAGRN-UHFFFAOYSA-N -1 0 331.349 3.518 20 0 EHADRM C[C@H](CC(=O)[O-])S[C@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000736551331 600588303 /nfs/dbraw/zinc/58/83/03/600588303.db2.gz JJMGYIXRJNCDTQ-GRYCIOLGSA-N -1 0 335.425 3.595 20 0 EHADRM CC(C)(C(=O)Nc1ccc(CNC(=O)[O-])cc1)c1cccc(F)c1 ZINC000736230286 600588968 /nfs/dbraw/zinc/58/89/68/600588968.db2.gz KHFKIQVBJMGNNJ-UHFFFAOYSA-N -1 0 330.359 3.510 20 0 EHADRM Cc1cc(C(=O)CS[C@H](C)CC(=O)[O-])c(C)n1Cc1ccco1 ZINC000738203290 600589692 /nfs/dbraw/zinc/58/96/92/600589692.db2.gz LOXMGUUALGBXPZ-GFCCVEGCSA-N -1 0 335.425 3.525 20 0 EHADRM C[C@@H](CS[C@@H](C(=O)Nc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000736607361 600597337 /nfs/dbraw/zinc/59/73/37/600597337.db2.gz PYRJSBXTMZFTAY-XJKSGUPXSA-N -1 0 329.421 3.820 20 0 EHADRM CCC/C(C)=C/C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000736960497 600597617 /nfs/dbraw/zinc/59/76/17/600597617.db2.gz VYPZYFHENQDITR-NKAIQICCSA-N -1 0 339.435 3.946 20 0 EHADRM CC(C)[C@@H](SC[C@@H](C)C(=O)[O-])C(=O)Nc1ccccc1Cl ZINC000736606348 600598349 /nfs/dbraw/zinc/59/83/49/600598349.db2.gz AESRESYRBOUXRT-ZWNOBZJWSA-N -1 0 329.849 3.757 20 0 EHADRM C[C@@H](CSCC(=O)Nc1ccccc1Oc1ccccc1)C(=O)[O-] ZINC000736614750 600599223 /nfs/dbraw/zinc/59/92/23/600599223.db2.gz ZHKGESCNQSKFBZ-ZDUSSCGKSA-N -1 0 345.420 3.871 20 0 EHADRM Cc1ccc(CCC(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)c(C)c1 ZINC000738588962 600599459 /nfs/dbraw/zinc/59/94/59/600599459.db2.gz HKLXWBQAZMMOLI-LJQANCHMSA-N -1 0 325.408 3.520 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000736903527 600600565 /nfs/dbraw/zinc/60/05/65/600600565.db2.gz KHXNPGPMTNGYHH-WMZOPIPTSA-N -1 0 325.408 3.540 20 0 EHADRM O=C([O-])[C@H](CNC(=O)[C@H]1CC=CCC1)Cc1ccc2ccccc2c1 ZINC000262815159 600605724 /nfs/dbraw/zinc/60/57/24/600605724.db2.gz QPAWJRIAJSIWQB-HKUYNNGSSA-N -1 0 337.419 3.556 20 0 EHADRM CCC[C@@H](C)C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000236845737 600607353 /nfs/dbraw/zinc/60/73/53/600607353.db2.gz ZWZASIUVLSXQRK-KDOFPFPSSA-N -1 0 327.424 3.636 20 0 EHADRM C[C@](NC(=O)c1ccc(OCC2CCCCC2)cc1)(C(=O)[O-])C1CC1 ZINC000736656299 600609781 /nfs/dbraw/zinc/60/97/81/600609781.db2.gz JHIGSZDHWWVEPT-HXUWFJFHSA-N -1 0 345.439 3.629 20 0 EHADRM Cc1cccc2sc(C(=O)N[C@](C)(C(=O)[O-])C3CC3)c(Cl)c21 ZINC000678984097 600611890 /nfs/dbraw/zinc/61/18/90/600611890.db2.gz PRWPWSWUBRIVEM-INIZCTEOSA-N -1 0 337.828 3.846 20 0 EHADRM CC(C)(C)c1ccc(OCCCC(=O)N[C@@](C)(C(=O)[O-])C2CC2)cc1 ZINC000736299385 600615122 /nfs/dbraw/zinc/61/51/22/600615122.db2.gz ITGSUUOWEMQTCN-HXUWFJFHSA-N -1 0 347.455 3.513 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)[C@H]2COc3ccccc32)s1 ZINC000736294762 600618355 /nfs/dbraw/zinc/61/83/55/600618355.db2.gz QRNRUJSWLHSYOV-LBPRGKRZSA-N -1 0 345.420 3.859 20 0 EHADRM Cc1ccc(O[C@H](C)C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000322646002 600620949 /nfs/dbraw/zinc/62/09/49/600620949.db2.gz ZNFZYKJEJOHFJP-LLVKDONJSA-N -1 0 333.771 3.753 20 0 EHADRM Cc1cc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc([N+](=O)[O-])c1 ZINC000181214927 600622902 /nfs/dbraw/zinc/62/29/02/600622902.db2.gz NPYJUMIMIDJJRP-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)c3cccc(C(=O)[O-])n3)cc2)nc1 ZINC000738648997 600624875 /nfs/dbraw/zinc/62/48/75/600624875.db2.gz IJTNCNCUJNGHFC-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)NCC2(c3cccc(F)c3)CC2)c1 ZINC000740043191 600624980 /nfs/dbraw/zinc/62/49/80/600624980.db2.gz QAWBCAPNVBEPDG-UHFFFAOYSA-N -1 0 343.358 3.769 20 0 EHADRM CC[C@H]1CCCCCN1C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736942468 600626942 /nfs/dbraw/zinc/62/69/42/600626942.db2.gz UKOYDVFZTCRJTO-INIZCTEOSA-N -1 0 333.432 3.983 20 0 EHADRM Cc1cc(OCC(=O)N[C@H](c2ccccc2)C(C)C)c(C(=O)[O-])s1 ZINC000738464716 600638942 /nfs/dbraw/zinc/63/89/42/600638942.db2.gz MMRWMRDGJJWOIQ-INIZCTEOSA-N -1 0 347.436 3.647 20 0 EHADRM CSc1ccc(O[C@H](C)C(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC000738145075 600660363 /nfs/dbraw/zinc/66/03/63/600660363.db2.gz HIZLKMGBGBOFSW-GFCCVEGCSA-N -1 0 345.420 3.537 20 0 EHADRM CC(C)c1ccc([C@H]2C[C@H]2C(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC000736513709 600660574 /nfs/dbraw/zinc/66/05/74/600660574.db2.gz XBYDLHYJZZALTN-IAGOWNOFSA-N -1 0 329.440 3.817 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NCCc2cc(Cl)cc(Cl)c2)C1 ZINC000179981486 600661839 /nfs/dbraw/zinc/66/18/39/600661839.db2.gz OIIJYJRQRMRDJJ-NEPJUHHUSA-N -1 0 344.238 3.543 20 0 EHADRM Cc1csc(-c2ccc(NC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)cc2)n1 ZINC000179987310 600664144 /nfs/dbraw/zinc/66/41/44/600664144.db2.gz HWPXOKXQSYLLBV-KBPBESRZSA-N -1 0 344.436 3.948 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)c1 ZINC000739480360 600675224 /nfs/dbraw/zinc/67/52/24/600675224.db2.gz OTOSVSYRZAKMNE-BXUZGUMPSA-N -1 0 348.761 3.855 20 0 EHADRM Cc1oc(CNc2ccc(F)c(Br)c2)cc1C(=O)[O-] ZINC000235975590 600681441 /nfs/dbraw/zinc/68/14/41/600681441.db2.gz HJHSIUVBYBELDU-UHFFFAOYSA-N -1 0 328.137 3.800 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC[C@@H](O)c1cccc(Cl)c1 ZINC000831977685 600682764 /nfs/dbraw/zinc/68/27/64/600682764.db2.gz UJMJBDVNRAZRRB-DDJMYBDESA-N -1 0 348.782 3.559 20 0 EHADRM CC[C@@H](C)c1ccc(OS(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000736891622 600688510 /nfs/dbraw/zinc/68/85/10/600688510.db2.gz PJPGQMIJDMXGRU-SNVBAGLBSA-N -1 0 340.422 3.728 20 0 EHADRM CC(C)Cc1nc(-c2nc(-c3cccc(C(=O)[O-])c3)no2)cs1 ZINC000826912578 600697563 /nfs/dbraw/zinc/69/75/63/600697563.db2.gz BYAKWZVFRAYIMA-UHFFFAOYSA-N -1 0 329.381 3.757 20 0 EHADRM O=C([O-])c1cccc(-c2noc(CCOc3ccc(Cl)cc3)n2)c1 ZINC000833327871 600699660 /nfs/dbraw/zinc/69/96/60/600699660.db2.gz JTXNAFGTAKPJSS-UHFFFAOYSA-N -1 0 344.754 3.710 20 0 EHADRM CN(C)c1ccc([C@H]2C[C@H]2c2nc(-c3cccc(C(=O)[O-])c3)no2)cc1 ZINC000830634759 600700236 /nfs/dbraw/zinc/70/02/36/600700236.db2.gz AKRJFYNXULQGDZ-IAGOWNOFSA-N -1 0 349.390 3.772 20 0 EHADRM C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)NCCCC(=O)[O-] ZINC000414629016 600700715 /nfs/dbraw/zinc/70/07/15/600700715.db2.gz PXCMEDQKEBHCFB-OAHLLOKOSA-N -1 0 340.423 3.921 20 0 EHADRM C[C@H]1CN(C(=O)NCCCCCCC(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000828354219 600725089 /nfs/dbraw/zinc/72/50/89/600725089.db2.gz HFYXTXANOTZIHD-WMZOPIPTSA-N -1 0 346.471 3.857 20 0 EHADRM C[C@H](OC(=O)[C@@H]1SCCc2sccc21)c1ccc(C(=O)[O-])o1 ZINC000827827906 600726830 /nfs/dbraw/zinc/72/68/30/600726830.db2.gz SQSNPEKUROKBEY-ISVAXAHUSA-N -1 0 338.406 3.674 20 0 EHADRM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)OCc2cc(C(=O)[O-])co2)cc1 ZINC000736512613 600734318 /nfs/dbraw/zinc/73/43/18/600734318.db2.gz KADGMCDKDFPAIQ-SJORKVTESA-N -1 0 328.364 3.948 20 0 EHADRM CCC(CC)[C@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)c1cccs1 ZINC000262966095 600736432 /nfs/dbraw/zinc/73/64/32/600736432.db2.gz JKTSPRFDNFHDDC-ZFWWWQNUSA-N -1 0 338.473 3.732 20 0 EHADRM C[C@@H](CCOc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000827423013 600740611 /nfs/dbraw/zinc/74/06/11/600740611.db2.gz VDPDPNZPORAVFS-GUYCJALGSA-N -1 0 346.354 3.600 20 0 EHADRM C[C@@H](CCOc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000827423014 600740664 /nfs/dbraw/zinc/74/06/64/600740664.db2.gz VDPDPNZPORAVFS-SUMWQHHRSA-N -1 0 346.354 3.600 20 0 EHADRM Cc1ccc(N2CCC[C@H](Nc3ccc(NC(=O)[O-])cc3)C2=O)cc1 ZINC000832939466 600740981 /nfs/dbraw/zinc/74/09/81/600740981.db2.gz MZSVQGFVPQMRON-KRWDZBQOSA-N -1 0 339.395 3.692 20 0 EHADRM O=C([O-])c1cccc(NC(=O)Nc2ccc(F)cc2OCC2CC2)c1 ZINC000739479715 600743691 /nfs/dbraw/zinc/74/36/91/600743691.db2.gz JLFPTGMRHQKKEJ-UHFFFAOYSA-N -1 0 344.342 3.957 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1 ZINC000833287029 600774254 /nfs/dbraw/zinc/77/42/54/600774254.db2.gz BDHKAYKZACTRBC-YQQAZPJKSA-N -1 0 345.443 3.587 20 0 EHADRM CCC(CC)(C(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000621557663 600786683 /nfs/dbraw/zinc/78/66/83/600786683.db2.gz MPDYLRWMANFQPU-UHFFFAOYSA-N -1 0 337.419 3.985 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)cc1Cl ZINC000192851235 600786772 /nfs/dbraw/zinc/78/67/72/600786772.db2.gz SGABUDRZMUNFPI-HNAYVOBHSA-N -1 0 341.794 3.881 20 0 EHADRM CN(C(=O)[C@@H]1C[C@@]12CCCc1ccccc12)[C@H](C(=O)[O-])c1ccccc1 ZINC000776620294 600787626 /nfs/dbraw/zinc/78/76/26/600787626.db2.gz KEIAMBGYHYKWPE-CNNODRBYSA-N -1 0 349.430 3.565 20 0 EHADRM CC[C@@H](CC(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F)C(C)C ZINC000236913182 600792398 /nfs/dbraw/zinc/79/23/98/600792398.db2.gz VXNDCQBWKROERZ-ZDUSSCGKSA-N -1 0 341.398 3.840 20 0 EHADRM O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)CC1CCCCC1 ZINC000238138669 600795336 /nfs/dbraw/zinc/79/53/36/600795336.db2.gz YTAIFCAOCGPBTC-UHFFFAOYSA-N -1 0 339.382 3.739 20 0 EHADRM C[C@H]1CCC[C@H](C(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)C1 ZINC000237530168 600796674 /nfs/dbraw/zinc/79/66/74/600796674.db2.gz ISYRHXHFGKXVPS-STQMWFEESA-N -1 0 339.382 3.594 20 0 EHADRM CCCCS[C@H](C)C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000776673090 600798969 /nfs/dbraw/zinc/79/89/69/600798969.db2.gz MJDMMOVXONVJEP-BXUZGUMPSA-N -1 0 343.876 3.894 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)c2cc(Oc3ccccc3)ccn2)cc1 ZINC000833266689 600801816 /nfs/dbraw/zinc/80/18/16/600801816.db2.gz BXCHRRJMNNMYKE-UHFFFAOYSA-N -1 0 349.342 3.720 20 0 EHADRM Cc1oc(CN(C)C(=O)NC[C@@H](C)c2cccc(C)c2)cc1C(=O)[O-] ZINC000738691940 600802488 /nfs/dbraw/zinc/80/24/88/600802488.db2.gz PEJAQYLPWCZLHV-CYBMUJFWSA-N -1 0 344.411 3.540 20 0 EHADRM Cc1ccccc1CS[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000832978053 600805019 /nfs/dbraw/zinc/80/50/19/600805019.db2.gz GUWHCURCVZNGFJ-AWEZNQCLSA-N -1 0 347.461 3.793 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C)CCOc2ccccc2)sc1C(=O)[O-] ZINC000832892832 600807176 /nfs/dbraw/zinc/80/71/76/600807176.db2.gz FWUUZBSTPNYLRX-NSHDSACASA-N -1 0 333.409 3.798 20 0 EHADRM CN(Cc1ccoc1)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000830865809 600818860 /nfs/dbraw/zinc/81/88/60/600818860.db2.gz ZRBBLAYQWIQQSX-UHFFFAOYSA-N -1 0 328.393 3.733 20 0 EHADRM C[C@H](CNc1nc(Cl)c(C(=O)[O-])s1)Oc1ccc(F)cc1 ZINC000827512430 600822713 /nfs/dbraw/zinc/82/27/13/600822713.db2.gz OERGEJUQSRRAEQ-SSDOTTSWSA-N -1 0 330.768 3.513 20 0 EHADRM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCCCCCC1 ZINC000172670279 600823164 /nfs/dbraw/zinc/82/31/64/600823164.db2.gz CVZZMVHAXMORSC-GOSISDBHSA-N -1 0 342.439 3.640 20 0 EHADRM C[C@@H]1CCC[C@@H](C(=O)Oc2ccc(C(=O)[O-])cc2Br)C1 ZINC000736773211 600829271 /nfs/dbraw/zinc/82/92/71/600829271.db2.gz BHELRMKKLLDUER-MWLCHTKSSA-N -1 0 341.201 3.879 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)ccc1F ZINC000740080120 600829859 /nfs/dbraw/zinc/82/98/59/600829859.db2.gz CJKZLYVUITVNCT-JQWIXIFHSA-N -1 0 335.281 3.544 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2c(F)cc(F)cc2F)ccc1Cl ZINC000387946474 600830651 /nfs/dbraw/zinc/83/06/51/600830651.db2.gz BLQLOQKJSPDHIG-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000738541447 600832865 /nfs/dbraw/zinc/83/28/65/600832865.db2.gz SQYWWBFKOPWDAI-OCCSQVGLSA-N -1 0 332.302 3.681 20 0 EHADRM O=C([O-])[C@H](Sc1cccc[n+]1[O-])c1ccc(Cl)cc1Cl ZINC000833169942 600833274 /nfs/dbraw/zinc/83/32/74/600833274.db2.gz MWSDUGWCPGCAKE-GFCCVEGCSA-N -1 0 330.192 3.545 20 0 EHADRM Cc1cc(CN2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)oc1C(=O)[O-] ZINC000519710016 600834764 /nfs/dbraw/zinc/83/47/64/600834764.db2.gz UMUKEBUJJAVKMG-CRAIPNDOSA-N -1 0 343.423 3.865 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)cc1 ZINC000739739188 600836480 /nfs/dbraw/zinc/83/64/80/600836480.db2.gz FYRYKSYZOHQWOW-DLBZAZTESA-N -1 0 331.412 3.695 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)C2(Cc3cccc(Cl)c3)CCCC2)C1 ZINC000128555445 600837757 /nfs/dbraw/zinc/83/77/57/600837757.db2.gz RYLRRRCLIQETEU-HNNXBMFYSA-N -1 0 349.858 3.766 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000180014165 600839970 /nfs/dbraw/zinc/83/99/70/600839970.db2.gz UKUIVSHSBKCLDW-YUELXQCFSA-N -1 0 337.847 3.620 20 0 EHADRM COc1ccccc1[C@H](C)SCC(=O)Nc1ccccc1C(=O)[O-] ZINC000832595544 600842183 /nfs/dbraw/zinc/84/21/83/600842183.db2.gz MERRUBFTHPLQSF-LBPRGKRZSA-N -1 0 345.420 3.826 20 0 EHADRM O=C([O-])Cc1ccc(OCc2ccccc2OCC(F)(F)F)cc1 ZINC000833266685 600846554 /nfs/dbraw/zinc/84/65/54/600846554.db2.gz BTDTVGKWAAAKBE-UHFFFAOYSA-N -1 0 340.297 3.834 20 0 EHADRM Cc1cccc2[nH]cc(CC(=O)N3C[C@H](CC(=O)[O-])c4ccccc43)c21 ZINC000738746827 600846802 /nfs/dbraw/zinc/84/68/02/600846802.db2.gz MCNQSZMCUKPPHL-HNNXBMFYSA-N -1 0 348.402 3.624 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)c2cc(-c3ccccc3)on2)c2ccccc21 ZINC000739645326 600848324 /nfs/dbraw/zinc/84/83/24/600848324.db2.gz CLFYVGWXGQGOQC-CQSZACIVSA-N -1 0 348.358 3.560 20 0 EHADRM C[C@]1(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)CCCc2ccccc21 ZINC000736728848 600849301 /nfs/dbraw/zinc/84/93/01/600849301.db2.gz SNXMEYJUIPYENQ-ZHRRBRCNSA-N -1 0 349.430 3.886 20 0 EHADRM Cc1cccc2c(CC(=O)N3C[C@@H](CC(=O)[O-])c4ccccc43)c[nH]c21 ZINC000738747115 600850846 /nfs/dbraw/zinc/85/08/46/600850846.db2.gz BDTIIBQBPCVEMC-OAHLLOKOSA-N -1 0 348.402 3.624 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000776630282 600851746 /nfs/dbraw/zinc/85/17/46/600851746.db2.gz FTYLPTMBTFXYHF-KFNAQCHYSA-N -1 0 337.391 3.836 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(OC2CCC2)cc1)c1cccs1 ZINC000833200493 600854081 /nfs/dbraw/zinc/85/40/81/600854081.db2.gz PXGZRBDRZFJLRL-HNNXBMFYSA-N -1 0 345.420 3.625 20 0 EHADRM Cc1cc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)c2ccccc2n1 ZINC000738327801 600854499 /nfs/dbraw/zinc/85/44/99/600854499.db2.gz QMRFCVXPPMOFPV-AWEZNQCLSA-N -1 0 346.386 3.762 20 0 EHADRM Cc1nc(C2CCCC2)sc1C(=O)NCCCCCCC(=O)[O-] ZINC000237615578 600856568 /nfs/dbraw/zinc/85/65/68/600856568.db2.gz UXYHHDBMJKBKFO-UHFFFAOYSA-N -1 0 338.473 3.874 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000237501861 600862636 /nfs/dbraw/zinc/86/26/36/600862636.db2.gz GRTKBVRCJOSDFT-KCMWZYNZSA-N -1 0 347.430 3.639 20 0 EHADRM CCO[C@@H](C)c1ncc(C(=O)Nc2cccc(NC(=O)[O-])c2)s1 ZINC000829908093 600863594 /nfs/dbraw/zinc/86/35/94/600863594.db2.gz RXLZQOMNOJNGHJ-VIFPVBQESA-N -1 0 335.385 3.583 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000736422852 600864813 /nfs/dbraw/zinc/86/48/13/600864813.db2.gz BKESWJUXRXVKBC-MRXNPFEDSA-N -1 0 346.814 3.950 20 0 EHADRM CCc1[nH]c(C(=O)N2CCCC[C@H]2c2ccc(C)o2)c(C)c1C(=O)[O-] ZINC000737239524 600866182 /nfs/dbraw/zinc/86/61/82/600866182.db2.gz BMSIKLAYSMYOPX-AWEZNQCLSA-N -1 0 344.411 3.853 20 0 EHADRM Cc1ccccc1C1CC(N(C(=O)CCCN(C)C(=O)[O-])C2CC2)C1 ZINC000738759837 600873537 /nfs/dbraw/zinc/87/35/37/600873537.db2.gz CGGGNEIGHNOAFS-UHFFFAOYSA-N -1 0 344.455 3.622 20 0 EHADRM C[C@@H](C(=O)Nc1cccc(CSCCC(=O)[O-])c1)C(F)(F)F ZINC000826021539 600876953 /nfs/dbraw/zinc/87/69/53/600876953.db2.gz RTZBVHFTKRLRMY-VIFPVBQESA-N -1 0 335.347 3.531 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2SCCc3ccccc32)c(C(=O)[O-])c1 ZINC000543446900 600877180 /nfs/dbraw/zinc/87/71/80/600877180.db2.gz NMYCJZUJXVAJFA-MRXNPFEDSA-N -1 0 327.405 3.662 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@@H]2SCCc3sccc32)cc1 ZINC000238045607 600878021 /nfs/dbraw/zinc/87/80/21/600878021.db2.gz YZTPNXDCFFXGFE-MRXNPFEDSA-N -1 0 347.461 3.734 20 0 EHADRM CCOc1cccc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000262517820 600883728 /nfs/dbraw/zinc/88/37/28/600883728.db2.gz QCQGRQCESHPMFN-UHFFFAOYSA-N -1 0 327.380 3.700 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N[C@@H]1C[C@H]1C1CCCCC1)C(=O)[O-] ZINC000262390053 600884048 /nfs/dbraw/zinc/88/40/48/600884048.db2.gz KHDLFSVIUPKPKU-VBNZEHGJSA-N -1 0 347.480 3.950 20 0 EHADRM CN(Cc1csc2ccccc12)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000179971365 600890592 /nfs/dbraw/zinc/89/05/92/600890592.db2.gz CMCDQCVXDLXFIZ-STQMWFEESA-N -1 0 331.437 3.751 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N2CCC(=Cc3cccc(F)c3)CC2)C1 ZINC000262538645 600895126 /nfs/dbraw/zinc/89/51/26/600895126.db2.gz KOTUIUCHROHOHF-IRXDYDNUSA-N -1 0 345.414 3.723 20 0 EHADRM Cc1cncc(C(=O)O[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)c1 ZINC000832986290 600895698 /nfs/dbraw/zinc/89/56/98/600895698.db2.gz HHMYUZZTOOFCEF-CYBMUJFWSA-N -1 0 340.162 3.680 20 0 EHADRM CCC(CC)[C@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC000583230292 600899110 /nfs/dbraw/zinc/89/91/10/600899110.db2.gz RRJXXGJHOFOROL-KRWDZBQOSA-N -1 0 326.396 3.687 20 0 EHADRM CCC(CC)[C@@H](NC(=O)c1cccc(C(=O)[O-])n1)c1ccccc1 ZINC000828854430 600899710 /nfs/dbraw/zinc/89/97/10/600899710.db2.gz DLAHFVJFQBFPFT-QGZVFWFLSA-N -1 0 326.396 3.687 20 0 EHADRM Cc1ccc2cc(C(=O)N3C[C@@H](CC(=O)[O-])c4ccccc43)[nH]c2c1 ZINC000738675774 600908526 /nfs/dbraw/zinc/90/85/26/600908526.db2.gz RGDQLSIWQMZIEH-CQSZACIVSA-N -1 0 334.375 3.695 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000362781552 600918204 /nfs/dbraw/zinc/91/82/04/600918204.db2.gz NGSOIDKQIGKYMS-NSHDSACASA-N -1 0 337.416 3.826 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1ccc(-c2ccc(F)cc2)o1)C(=O)[O-] ZINC000262411770 600922970 /nfs/dbraw/zinc/92/29/70/600922970.db2.gz ABANFCWONIBOEH-CYBMUJFWSA-N -1 0 333.359 3.562 20 0 EHADRM Cc1c(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])sc2cccc(F)c12 ZINC000321658482 600923677 /nfs/dbraw/zinc/92/36/77/600923677.db2.gz GICZNFWBSUMISK-LLVKDONJSA-N -1 0 337.416 3.826 20 0 EHADRM Cc1c(Br)cccc1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000180111128 600923911 /nfs/dbraw/zinc/92/39/11/600923911.db2.gz ZHVCVNCYIYLKPF-WDEREUQCSA-N -1 0 340.217 3.587 20 0 EHADRM CCC(CC)(NC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000342544998 600926438 /nfs/dbraw/zinc/92/64/38/600926438.db2.gz KTIPGIGXXGOXFA-IAGOWNOFSA-N -1 0 325.408 3.703 20 0 EHADRM Cc1ccc(NC(=O)C[C@@H](C)C(=O)c2cccc(F)c2)c(C(=O)[O-])c1 ZINC000832942508 600931351 /nfs/dbraw/zinc/93/13/51/600931351.db2.gz FFTPMVDQEFFEQI-GFCCVEGCSA-N -1 0 343.354 3.680 20 0 EHADRM CCCC[C@@H](Sc1nnc(-c2c[nH]c3ccccc32)o1)C(=O)[O-] ZINC000736984490 600936105 /nfs/dbraw/zinc/93/61/05/600936105.db2.gz JLOHMQKZMGDBHK-CYBMUJFWSA-N -1 0 331.397 3.953 20 0 EHADRM Cc1c(Br)cccc1C(=O)Oc1ccccc1C(=O)[O-] ZINC000832849303 600938449 /nfs/dbraw/zinc/93/84/49/600938449.db2.gz BZHNMGDHLYAQPP-UHFFFAOYSA-N -1 0 335.153 3.675 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1cc2ccccc2s1 ZINC000647194259 600940511 /nfs/dbraw/zinc/94/05/11/600940511.db2.gz HAEXNEKIWXWRPF-YUTCNCBUSA-N -1 0 331.437 3.970 20 0 EHADRM CCCCN(C)c1ccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000829381041 600940526 /nfs/dbraw/zinc/94/05/26/600940526.db2.gz IRDOWWLQQOLQIW-HUUCEWRRSA-N -1 0 332.444 3.752 20 0 EHADRM Cc1ccc(Br)cc1C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000832910571 600947087 /nfs/dbraw/zinc/94/70/87/600947087.db2.gz SJWPMHOIEWOTQB-UHFFFAOYSA-N -1 0 349.180 3.604 20 0 EHADRM CC(C)C[C@@H](OC(=O)c1ccc(Oc2cccnc2)cc1)C(=O)[O-] ZINC000826820249 600950170 /nfs/dbraw/zinc/95/01/70/600950170.db2.gz PJIVMWDMKRTTLW-MRXNPFEDSA-N -1 0 329.352 3.530 20 0 EHADRM CC(C)C[C@H](OC(=O)/C=C/c1ccccc1OC(F)(F)F)C(=O)[O-] ZINC000826812473 600953988 /nfs/dbraw/zinc/95/39/88/600953988.db2.gz IVJABMOJIXZBOJ-GWJCSSMESA-N -1 0 346.301 3.641 20 0 EHADRM Cc1noc(C(F)F)c1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000833020143 600959743 /nfs/dbraw/zinc/95/97/43/600959743.db2.gz VNLGGAJTRLHLMJ-UHFFFAOYSA-N -1 0 330.674 3.525 20 0 EHADRM CCSCC[C@H](C)NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000262457982 600961296 /nfs/dbraw/zinc/96/12/96/600961296.db2.gz XNQVSAGYIXDWHN-RYUDHWBXSA-N -1 0 341.498 3.513 20 0 EHADRM Cc1sc(NC(=O)[C@@H]2C[C@]23CCc2ccccc23)c(C(=O)[O-])c1C ZINC000833034448 600964542 /nfs/dbraw/zinc/96/45/42/600964542.db2.gz UVYHVGBEOZABFH-LIRRHRJNSA-N -1 0 341.432 3.906 20 0 EHADRM Cc1sc(NC(=O)[C@H]2C[C@@]23CCc2ccccc23)c(C(=O)[O-])c1C ZINC000833034442 600964666 /nfs/dbraw/zinc/96/46/66/600964666.db2.gz UVYHVGBEOZABFH-AUUYWEPGSA-N -1 0 341.432 3.906 20 0 EHADRM Cc1cc2c(cc1C)O[C@H](C(=O)Oc1ccc(C(=O)[O-])cc1Cl)C2 ZINC000832905861 600965324 /nfs/dbraw/zinc/96/53/24/600965324.db2.gz LUIARGDZXCIQPL-INIZCTEOSA-N -1 0 346.766 3.564 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000829004871 600968399 /nfs/dbraw/zinc/96/83/99/600968399.db2.gz QUBNOPGPVKDDPF-ZQIUZPCESA-N -1 0 333.428 3.722 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2cccc(CC(F)(F)F)c2)C1 ZINC000647162198 600975351 /nfs/dbraw/zinc/97/53/51/600975351.db2.gz IFQVDMRUYBOQAY-NWDGAFQWSA-N -1 0 329.318 3.621 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000498644145 600979918 /nfs/dbraw/zinc/97/99/18/600979918.db2.gz RAMVULSIEGCWNN-CABCVRRESA-N -1 0 333.428 3.941 20 0 EHADRM CC[C@@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000829134039 600981533 /nfs/dbraw/zinc/98/15/33/600981533.db2.gz KIXMKVGHIAMMPD-NJAFHUGGSA-N -1 0 346.471 3.711 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2Cn1nc(C2CC2)sc1=S ZINC000833334391 600984107 /nfs/dbraw/zinc/98/41/07/600984107.db2.gz LYDKGWCEHJNSLO-UHFFFAOYSA-N -1 0 347.465 3.660 20 0 EHADRM C[C@@H](CCNc1ccc(C(=O)[O-])nn1)c1cccc(C(F)(F)F)c1 ZINC000827418158 600985829 /nfs/dbraw/zinc/98/58/29/600985829.db2.gz YXKJOQNKPKTNBZ-JTQLQIEISA-N -1 0 339.317 3.799 20 0 EHADRM O=C([O-])[C@@H](N[C@@H](c1nccs1)c1ccccc1)c1ccccc1F ZINC000833168700 600993824 /nfs/dbraw/zinc/99/38/24/600993824.db2.gz ZITUCDJZCNCTML-CVEARBPZSA-N -1 0 342.395 3.787 20 0 EHADRM Cc1ccc(-c2ocnc2C(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000237699699 601000255 /nfs/dbraw/zinc/00/02/55/601000255.db2.gz DMGHURKRBLBHPG-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM C/C(=C\C(=O)N1CCCC[C@H]1C(=O)[O-])c1ccccc1C(F)(F)F ZINC000736121834 601000582 /nfs/dbraw/zinc/00/05/82/601000582.db2.gz UWOQPQNRYFZIET-VNDWYCCKSA-N -1 0 341.329 3.574 20 0 EHADRM CN(C)c1ccccc1NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000328021107 601002903 /nfs/dbraw/zinc/00/29/03/601002903.db2.gz UASZHQRHIKYBCA-UHFFFAOYSA-N -1 0 341.411 3.759 20 0 EHADRM C[C@@H](C(=O)N(CC(=O)[O-])Cc1ccccc1)c1cccc(Cl)c1 ZINC000346026335 601003672 /nfs/dbraw/zinc/00/36/72/601003672.db2.gz MELKCJHXNOCGEU-CYBMUJFWSA-N -1 0 331.799 3.557 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)[C@@H]1CCSc2ccccc21 ZINC000738084966 601005195 /nfs/dbraw/zinc/00/51/95/601005195.db2.gz KHDUFKIMPOTGOV-GFCCVEGCSA-N -1 0 344.388 3.578 20 0 EHADRM CCC[C@H]1[C@H](C)CCCN1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000829246208 601005252 /nfs/dbraw/zinc/00/52/52/601005252.db2.gz XJQXRSREDGYNBS-CJNGLKHVSA-N -1 0 334.416 3.583 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1F ZINC000827486506 601007210 /nfs/dbraw/zinc/00/72/10/601007210.db2.gz OGRUCCKZNIUCKG-SNVBAGLBSA-N -1 0 334.322 3.588 20 0 EHADRM CC[C@@](NC(=O)[C@H](C)c1cccc(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC000561735789 601010609 /nfs/dbraw/zinc/01/06/09/601010609.db2.gz LPRJQXLLLKBGHG-YJYMSZOUSA-N -1 0 345.826 3.950 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)[C@@H]2CCSc3ccccc32)cc1 ZINC000739986105 601018565 /nfs/dbraw/zinc/01/85/65/601018565.db2.gz MPKYCINUGLKJGR-OAHLLOKOSA-N -1 0 342.420 3.672 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N(CCC(=O)[O-])c2cccc(F)c2)cc1 ZINC000737257521 601027225 /nfs/dbraw/zinc/02/72/25/601027225.db2.gz QFSBNVDUXTVUJT-CQSZACIVSA-N -1 0 343.398 4.000 20 0 EHADRM C[C@H]1Cc2ccccc2CN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000828516415 601027312 /nfs/dbraw/zinc/02/73/12/601027312.db2.gz LLKMIVDDYFBQRA-NSHDSACASA-N -1 0 328.343 3.503 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(CC(=O)[O-])cc1)Sc1ccccc1 ZINC000827485908 601031091 /nfs/dbraw/zinc/03/10/91/601031091.db2.gz CGDKTMGDYQUQON-ZDUSSCGKSA-N -1 0 344.436 3.616 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NCCCC(F)(F)F ZINC000827047873 601033899 /nfs/dbraw/zinc/03/38/99/601033899.db2.gz LLFRMTKIJQWHCZ-UHFFFAOYSA-N -1 0 348.321 3.636 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)C(=O)[O-] ZINC000736712237 601034340 /nfs/dbraw/zinc/03/43/40/601034340.db2.gz LTWFNQHFCYHRLH-BYNSBNAKSA-N -1 0 347.480 3.950 20 0 EHADRM Cc1cccc(O[C@@H](C)CNC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC000832972842 601040696 /nfs/dbraw/zinc/04/06/96/601040696.db2.gz KIQQOCPUZRLKLM-AWEZNQCLSA-N -1 0 342.395 3.591 20 0 EHADRM C[C@@H]1CCC[C@H](C)N(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C1 ZINC000828238484 601050260 /nfs/dbraw/zinc/05/02/60/601050260.db2.gz HULMSEKQPHVWLG-KGLIPLIRSA-N -1 0 333.432 3.839 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)C1CCCCC1 ZINC000827672122 601051143 /nfs/dbraw/zinc/05/11/43/601051143.db2.gz QWTIKRLVOCRSIF-CYBMUJFWSA-N -1 0 333.432 3.887 20 0 EHADRM CN(Cc1ccc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)cc1)C(=O)[O-] ZINC000830835609 601051767 /nfs/dbraw/zinc/05/17/67/601051767.db2.gz IAXFOBJGXHIZRM-HLLBOEOZSA-N -1 0 345.443 3.887 20 0 EHADRM O=C([O-])CCCCCNC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000238152645 601051892 /nfs/dbraw/zinc/05/18/92/601051892.db2.gz FZRCODZYPIYJMM-KGLIPLIRSA-N -1 0 344.238 3.858 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000833280710 601053651 /nfs/dbraw/zinc/05/36/51/601053651.db2.gz AMHCHGUZOVZWGY-HZPDHXFCSA-N -1 0 331.416 3.545 20 0 EHADRM C[C@H](CN(C)C(=O)c1ccccc1Sc1ccccc1)C(=O)[O-] ZINC000237573755 601061319 /nfs/dbraw/zinc/06/13/19/601061319.db2.gz YBVTZDJRVCQPMK-CYBMUJFWSA-N -1 0 329.421 3.631 20 0 EHADRM Cc1ccc2c(CCC(=O)Nc3ccc(C(=O)[O-])cc3F)c[nH]c2c1 ZINC000832961095 601067123 /nfs/dbraw/zinc/06/71/23/601067123.db2.gz YNYLQAXCTGLIRF-UHFFFAOYSA-N -1 0 340.354 3.885 20 0 EHADRM Cc1cc(Br)oc1C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000362773262 601067283 /nfs/dbraw/zinc/06/72/83/601067283.db2.gz LQTSKPYVOSBBEU-UHFFFAOYSA-N -1 0 338.157 3.609 20 0 EHADRM CN(CCc1cccs1)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000388648617 601068665 /nfs/dbraw/zinc/06/86/65/601068665.db2.gz RKHQOQSSPKMVJT-UHFFFAOYSA-N -1 0 338.816 3.806 20 0 EHADRM Cc1cc(C(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])ccc1F ZINC000832861193 601086464 /nfs/dbraw/zinc/08/64/64/601086464.db2.gz ZAQHJAKNVUAFMC-NVXWUHKLSA-N -1 0 333.403 3.630 20 0 EHADRM Cc1ccc(CNC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)s1 ZINC000321123767 601092964 /nfs/dbraw/zinc/09/29/64/601092964.db2.gz CGDGXMZXHWHMTH-UHFFFAOYSA-N -1 0 332.425 3.740 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N2CCC[C@H]2C2CCC2)cc1 ZINC000826118642 601094530 /nfs/dbraw/zinc/09/45/30/601094530.db2.gz QDSQEYSEEUSZQT-INIZCTEOSA-N -1 0 330.428 3.845 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NCCCc2ccccc2)cc1 ZINC000327137522 601095491 /nfs/dbraw/zinc/09/54/91/601095491.db2.gz LOMZBRIBGSIQCD-UHFFFAOYSA-N -1 0 340.423 3.803 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2c3nsnc3ccc2Cl)c1 ZINC000740034038 601096352 /nfs/dbraw/zinc/09/63/52/601096352.db2.gz QMMIIYMXQPJWJQ-UHFFFAOYSA-N -1 0 348.771 3.687 20 0 EHADRM Cc1ccccc1OCCCC(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000832979950 601097311 /nfs/dbraw/zinc/09/73/11/601097311.db2.gz ZKVHNVUBSICQBM-SFHVURJKSA-N -1 0 346.354 3.662 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@H]1CCCc2ccccc21)c1ccccc1F ZINC000833351337 601098631 /nfs/dbraw/zinc/09/86/31/601098631.db2.gz QACKCKYBQMBBOH-WMLDXEAASA-N -1 0 328.339 3.615 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])s2)[C@@H]1c1cccc(F)c1 ZINC000237552788 601107921 /nfs/dbraw/zinc/10/79/21/601107921.db2.gz MEAJRPXVTOJGAZ-BONVTDFDSA-N -1 0 333.384 3.809 20 0 EHADRM CC(C)CO[C@H](C)C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000826895080 601109762 /nfs/dbraw/zinc/10/97/62/601109762.db2.gz BXWZHVBCJUEISC-NOZJJQNGSA-N -1 0 349.210 3.723 20 0 EHADRM CN(Cc1nccs1)[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000830879570 601117207 /nfs/dbraw/zinc/11/72/07/601117207.db2.gz PMHIOHKERFAWMT-GFCCVEGCSA-N -1 0 331.224 3.708 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000827587000 601122409 /nfs/dbraw/zinc/12/24/09/601122409.db2.gz YJPNQEKXMITUKB-BZNIZROVSA-N -1 0 334.318 3.513 20 0 EHADRM CCN(C(=O)c1cc2ccc(Cl)cc2[nH]1)c1ncc(C(=O)[O-])s1 ZINC000737057011 601124995 /nfs/dbraw/zinc/12/49/95/601124995.db2.gz ARQXKIIXYHBUTP-UHFFFAOYSA-N -1 0 349.799 3.643 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NCCc2ccc(Cl)cc2Cl)C1 ZINC000108654881 601125608 /nfs/dbraw/zinc/12/56/08/601125608.db2.gz OODMHAPIJHSNFU-VXGBXAGGSA-N -1 0 344.238 3.543 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccc2ccccc2c1 ZINC000183964500 601125769 /nfs/dbraw/zinc/12/57/69/601125769.db2.gz GTCLZPHCZHWJJO-KKXDTOCCSA-N -1 0 325.408 3.908 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1 ZINC000739573954 601126144 /nfs/dbraw/zinc/12/61/44/601126144.db2.gz QOLKAUJCNPSYAI-STQMWFEESA-N -1 0 345.395 3.558 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](C)c2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC000832946283 601141582 /nfs/dbraw/zinc/14/15/82/601141582.db2.gz FWEFDXGBPVNZKU-JTQLQIEISA-N -1 0 334.322 3.854 20 0 EHADRM Cc1ccc(NC(=O)N[C@H]2CCc3ccc(F)cc32)cc1C(=O)[O-] ZINC000832946565 601141714 /nfs/dbraw/zinc/14/17/14/601141714.db2.gz IXBVSNZIMJVIKJ-INIZCTEOSA-N -1 0 328.343 3.641 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Oc2ccc(C)cc2C(=O)[O-])cc1 ZINC000832221255 601142185 /nfs/dbraw/zinc/14/21/85/601142185.db2.gz XFULKCRHOZTUMA-ZDUSSCGKSA-N -1 0 328.364 3.801 20 0 EHADRM CCCO[C@@H]1CCCN(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)CC1 ZINC000829522548 601143135 /nfs/dbraw/zinc/14/31/35/601143135.db2.gz AZIVWZSPDWLEFL-OAHLLOKOSA-N -1 0 334.416 3.506 20 0 EHADRM Cc1ccc(NC(=O)N(C)[C@@H](C)c2cccc(O)c2)cc1C(=O)[O-] ZINC000832944393 601143462 /nfs/dbraw/zinc/14/34/62/601143462.db2.gz DADNTERDRORTIT-LBPRGKRZSA-N -1 0 328.368 3.624 20 0 EHADRM O=C([O-])c1ccc(OC(=O)c2cccc(C(F)(F)F)c2F)cc1 ZINC000833321697 601145950 /nfs/dbraw/zinc/14/59/50/601145950.db2.gz JYXAXCPYXDVWMK-UHFFFAOYSA-N -1 0 328.217 3.762 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1cc(C)c(F)cc1F ZINC000831978174 601152049 /nfs/dbraw/zinc/15/20/49/601152049.db2.gz YNEDOHVTOXHVKR-GQCTYLIASA-N -1 0 348.301 3.599 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000767073666 601169430 /nfs/dbraw/zinc/16/94/30/601169430.db2.gz FUEVATXGNINIFX-QWQRMKEZSA-N -1 0 343.398 3.583 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Oc2ccc(Oc3nccs3)cc2)C1 ZINC000833186634 601173641 /nfs/dbraw/zinc/17/36/41/601173641.db2.gz GNFFYSALIIARAC-VXGBXAGGSA-N -1 0 347.392 3.732 20 0 EHADRM CCO[C@H](CCNC(=O)Nc1ccc(NC(=O)[O-])cc1)C1CCCC1 ZINC000829919128 601176856 /nfs/dbraw/zinc/17/68/56/601176856.db2.gz WHAPSDTVXCEENW-MRXNPFEDSA-N -1 0 349.431 3.883 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)OCc2cccc(C(F)(F)F)c2)C1 ZINC000833187786 601178035 /nfs/dbraw/zinc/17/80/35/601178035.db2.gz KMMUEMFJIOOVFD-NEPJUHHUSA-N -1 0 330.302 3.640 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1Br ZINC000129374397 601178923 /nfs/dbraw/zinc/17/89/23/601178923.db2.gz MCJXJZFRVJCYKQ-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)OCc2ccc(C(F)(F)F)cc2)C1 ZINC000833190398 601179061 /nfs/dbraw/zinc/17/90/61/601179061.db2.gz WXCASMONDQWHSE-VXGBXAGGSA-N -1 0 330.302 3.640 20 0 EHADRM Cc1oc(-c2ccsc2)nc1COC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833024791 601180692 /nfs/dbraw/zinc/18/06/92/601180692.db2.gz PBXAEKPNJHSEMV-VXGBXAGGSA-N -1 0 349.408 3.646 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000531748155 601187250 /nfs/dbraw/zinc/18/72/50/601187250.db2.gz MPSFPZJMFIFMBU-UHFFFAOYSA-N -1 0 329.396 3.957 20 0 EHADRM Nc1cc(Cl)c(Cl)c(C(=O)OCc2cccc(C(=O)[O-])c2)c1 ZINC000833090069 601190151 /nfs/dbraw/zinc/19/01/51/601190151.db2.gz ALTKTQIQMRCEMS-UHFFFAOYSA-N -1 0 340.162 3.631 20 0 EHADRM CCS[C@@H]1CCC[C@H](NC(=O)Nc2cccc(NC(=O)[O-])c2)C1 ZINC000830158357 601191800 /nfs/dbraw/zinc/19/18/00/601191800.db2.gz VITPGCXMFRLKRJ-UONOGXRCSA-N -1 0 337.445 3.962 20 0 EHADRM CCS[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000318867403 601192957 /nfs/dbraw/zinc/19/29/57/601192957.db2.gz POYKKPPAPLSLAG-QWHCGFSZSA-N -1 0 342.848 3.834 20 0 EHADRM Cc1cnc(C(C)(C)NC(=O)Nc2ccc(CCC(=O)[O-])cc2)s1 ZINC000832985226 601198150 /nfs/dbraw/zinc/19/81/50/601198150.db2.gz JAHKSLGRHMIVSF-UHFFFAOYSA-N -1 0 347.440 3.526 20 0 EHADRM Cc1ccc(CCCC(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)s1 ZINC000539572303 601199617 /nfs/dbraw/zinc/19/96/17/601199617.db2.gz VBJKQPQDCATXSF-QGZVFWFLSA-N -1 0 345.464 3.672 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](c2nc(Cc3cccc4cccnc43)no2)C1 ZINC000833188375 601207630 /nfs/dbraw/zinc/20/76/30/601207630.db2.gz YGNMIPCTELKITD-GJZGRUSLSA-N -1 0 337.379 3.567 20 0 EHADRM CC(C)c1ccc(CN(C(=O)c2ccnc(C(=O)[O-])c2)C2CC2)cc1 ZINC000236711835 601242253 /nfs/dbraw/zinc/24/22/53/601242253.db2.gz AYDULAXBQPSPSJ-UHFFFAOYSA-N -1 0 338.407 3.708 20 0 EHADRM O=C([O-])c1cc(C(=O)N2CCC[C@H]2c2cccc3ccccc32)ccn1 ZINC000237979467 601244547 /nfs/dbraw/zinc/24/45/47/601244547.db2.gz ORZAJYNEKDBMOF-IBGZPJMESA-N -1 0 346.386 3.910 20 0 EHADRM O=C([O-])c1ccc(NC[C@H](Cc2ccccc2)c2ccccc2)nn1 ZINC000833320565 601253052 /nfs/dbraw/zinc/25/30/52/601253052.db2.gz SYRJRKDKHCFXOZ-KRWDZBQOSA-N -1 0 333.391 3.613 20 0 EHADRM COc1cccc(/C(C)=C\C(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC000763415996 601265342 /nfs/dbraw/zinc/26/53/42/601265342.db2.gz DTLKUMZRNNDTRZ-FLIBITNWSA-N -1 0 329.327 3.575 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C/C=C\c1cccc(F)c1)c1ccc(F)cc1 ZINC000362428254 601280511 /nfs/dbraw/zinc/28/05/11/601280511.db2.gz OFNOMGNVXDCZQG-MMTGSJLXSA-N -1 0 345.345 3.700 20 0 EHADRM CCCCN(C(=O)c1ccnc(C(=O)[O-])c1)[C@H](C)c1ccc(C)o1 ZINC000829372985 601281039 /nfs/dbraw/zinc/28/10/39/601281039.db2.gz ARZVWIRFRIEHDH-CYBMUJFWSA-N -1 0 330.384 3.685 20 0 EHADRM Cc1ccccc1[C@@H](CC(C)C)NC(=O)c1ccnc(C(=O)[O-])c1 ZINC000832976978 601286821 /nfs/dbraw/zinc/28/68/21/601286821.db2.gz LBWSIDNGKVNKMB-MRXNPFEDSA-N -1 0 326.396 3.605 20 0 EHADRM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)Nc1ccccc1C(=O)[O-] ZINC000828150949 601294070 /nfs/dbraw/zinc/29/40/70/601294070.db2.gz SFZHRTWFUHBZRJ-ZBFHGGJFSA-N -1 0 338.407 3.870 20 0 EHADRM Cc1cccc(CCC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000237738753 601294831 /nfs/dbraw/zinc/29/48/31/601294831.db2.gz NEPLXSYNSGAQCL-BEFAXECRSA-N -1 0 325.408 3.506 20 0 EHADRM Cc1cccc(CCC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000237657851 601295092 /nfs/dbraw/zinc/29/50/92/601295092.db2.gz NEPLXSYNSGAQCL-DNVCBOLYSA-N -1 0 325.408 3.506 20 0 EHADRM COc1cc(Cl)ccc1C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832003949 601297673 /nfs/dbraw/zinc/29/76/73/601297673.db2.gz GRWACZDSLRDKBK-MEDUHNTESA-N -1 0 347.798 3.540 20 0 EHADRM O=C([O-])[C@@H]1CCCN(Cn2c(-c3ccccc3)csc2=S)C1 ZINC000833188862 601300916 /nfs/dbraw/zinc/30/09/16/601300916.db2.gz GBHXZBOXXUHTQP-CYBMUJFWSA-N -1 0 334.466 3.700 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000262208538 601304401 /nfs/dbraw/zinc/30/44/01/601304401.db2.gz RTFLRHYOOKKNNR-UHFFFAOYSA-N -1 0 332.227 3.686 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)CSc1ccc(Cl)cc1 ZINC000262159443 601304615 /nfs/dbraw/zinc/30/46/15/601304615.db2.gz MRZWWXMURNAGEW-UHFFFAOYSA-N -1 0 329.849 3.582 20 0 EHADRM Cc1cccc(C)c1NC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000832964771 601309134 /nfs/dbraw/zinc/30/91/34/601309134.db2.gz IXRFBZDEONTCKJ-OAHLLOKOSA-N -1 0 330.359 3.780 20 0 EHADRM CCOc1cccc(NC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000830104867 601310466 /nfs/dbraw/zinc/31/04/66/601310466.db2.gz XGNLPOSHLIDBQS-MRXNPFEDSA-N -1 0 346.358 3.562 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)Sc1ccccc1O ZINC000832917212 601347010 /nfs/dbraw/zinc/34/70/10/601347010.db2.gz VRIOJDRJHCWPCB-LLVKDONJSA-N -1 0 331.393 3.518 20 0 EHADRM C/C(=C/COC(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2)C(=O)[O-] ZINC000825751992 601357090 /nfs/dbraw/zinc/35/70/90/601357090.db2.gz GYPBLISHMLGMHG-USHXXIRDSA-N -1 0 346.345 3.709 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@H]1C[C@H]1C1CC1)c1ccc(Cl)cc1Cl ZINC000833169556 601357652 /nfs/dbraw/zinc/35/76/52/601357652.db2.gz JVHNIGVONSZBSE-GMXVVIOVSA-N -1 0 329.179 3.708 20 0 EHADRM COc1cccc(/C(C)=C\C(=O)O[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000832528399 601359156 /nfs/dbraw/zinc/35/91/56/601359156.db2.gz KFILWXMRDPYHTI-ANGAQGJPSA-N -1 0 344.338 3.607 20 0 EHADRM C/C(=C\c1nc(COc2cccc(C(=O)[O-])c2)no1)c1ccccc1 ZINC000825798699 601363362 /nfs/dbraw/zinc/36/33/62/601363362.db2.gz SRDNLRQRFGDMCX-JLHYYAGUSA-N -1 0 336.347 3.907 20 0 EHADRM C[C@@H](NC(=O)COc1ccccc1NC(=O)[O-])c1ccc(Cl)cc1 ZINC000827635896 601368793 /nfs/dbraw/zinc/36/87/93/601368793.db2.gz IDPXCUOWNSILGB-LLVKDONJSA-N -1 0 348.786 3.686 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2nc(-c3cccc(F)c3)cs2)C1 ZINC000833186060 601387125 /nfs/dbraw/zinc/38/71/25/601387125.db2.gz JZYCNBDTVIXIBZ-RYUDHWBXSA-N -1 0 348.399 3.779 20 0 EHADRM CCc1oc(C(=O)[O-])cc1Cn1c2ccccc2nc1C(F)(F)F ZINC000830398066 601388608 /nfs/dbraw/zinc/38/86/08/601388608.db2.gz FKEMWHKONYBNGL-UHFFFAOYSA-N -1 0 338.285 3.957 20 0 EHADRM COCCOc1c(Cl)cccc1NCc1cc(C(=O)[O-])oc1C ZINC000831767346 601391349 /nfs/dbraw/zinc/39/13/49/601391349.db2.gz LMQHPQWERVWZCQ-UHFFFAOYSA-N -1 0 339.775 3.577 20 0 EHADRM Cc1ccc2oc(C(=O)N[C@@H](c3ccccc3)[C@H](C)C(=O)[O-])cc2c1 ZINC000237534099 601391770 /nfs/dbraw/zinc/39/17/70/601391770.db2.gz VBKXZUDVWBOFIC-SCLBCKFNSA-N -1 0 337.375 3.933 20 0 EHADRM C[C@H](CC(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-])c1ccc(F)cc1 ZINC000262471862 601392548 /nfs/dbraw/zinc/39/25/48/601392548.db2.gz JNDCIPVILCSBMK-PJIJBLCYSA-N -1 0 343.398 3.898 20 0 EHADRM O=C([O-])c1nn(CN2CCC[C@@H]2c2cccc(F)c2)c2ccccc21 ZINC000833347271 601398431 /nfs/dbraw/zinc/39/84/31/601398431.db2.gz WOXZGUICIONAHX-MRXNPFEDSA-N -1 0 339.370 3.668 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CSc1nnc(NCC(C)C)s1 ZINC000830398691 601405958 /nfs/dbraw/zinc/40/59/58/601405958.db2.gz RMQFSTMRUFPHFE-UHFFFAOYSA-N -1 0 341.458 3.752 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000832221326 601406857 /nfs/dbraw/zinc/40/68/57/601406857.db2.gz ZMRIMRKVRDQBOS-ZDUSSCGKSA-N -1 0 342.395 3.595 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Nc1ccccc1F)c1ccc(Cl)cc1 ZINC000833265168 601409003 /nfs/dbraw/zinc/40/90/03/601409003.db2.gz VKXSCCXJVJXDLY-AWEZNQCLSA-N -1 0 336.750 3.817 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN(Cc1ccco1)Cc1ccco1 ZINC000581374997 601411049 /nfs/dbraw/zinc/41/10/49/601411049.db2.gz KVMKVZCLYQGLEH-UHFFFAOYSA-N -1 0 329.352 3.929 20 0 EHADRM C/C(=C/COC(=O)CCCC(=O)c1c(C)cc(C)cc1C)C(=O)[O-] ZINC000825758876 601418594 /nfs/dbraw/zinc/41/85/94/601418594.db2.gz RPPBBIIQZFDILN-JYRVWZFOSA-N -1 0 332.396 3.539 20 0 EHADRM C/C(=C/COC(=O)c1csc(-c2ccc(Cl)s2)n1)C(=O)[O-] ZINC000825787050 601420621 /nfs/dbraw/zinc/42/06/21/601420621.db2.gz UMRWJOYVNCRDRI-DAXSKMNVSA-N -1 0 343.813 3.713 20 0 EHADRM O=C([O-])[C@H](OC(=O)Cc1coc2cc(F)ccc12)c1ccc(F)cc1 ZINC000833120193 601431307 /nfs/dbraw/zinc/43/13/07/601431307.db2.gz QNISGUNVRVWHTB-QGZVFWFLSA-N -1 0 346.285 3.623 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)NC3(CC(=O)[O-])CCC3)o2)cc1 ZINC000262486046 601435124 /nfs/dbraw/zinc/43/51/24/601435124.db2.gz FKADWWFQVLNVRC-UHFFFAOYSA-N -1 0 327.380 3.636 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)[C@H](C)c2ccc(Cl)s2)c1 ZINC000832183435 601440126 /nfs/dbraw/zinc/44/01/26/601440126.db2.gz ZDDBJOVKVBZYJM-MRVPVSSYSA-N -1 0 340.784 3.817 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)Cc2coc3cc(F)ccc23)cc1 ZINC000833290819 601449516 /nfs/dbraw/zinc/44/95/16/601449516.db2.gz WHLKERHRQVPANC-UHFFFAOYSA-N -1 0 329.283 3.810 20 0 EHADRM C[C@@H](OC(=O)c1c[nH]cc1-c1ccccc1)c1ccc(C(=O)[O-])o1 ZINC000827844546 601461965 /nfs/dbraw/zinc/46/19/65/601461965.db2.gz PWVODYAJDHEKIW-LLVKDONJSA-N -1 0 325.320 3.891 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000237021785 601467572 /nfs/dbraw/zinc/46/75/72/601467572.db2.gz VCYLAJKSQMQKFD-BZNIZROVSA-N -1 0 345.361 3.644 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000237090392 601467639 /nfs/dbraw/zinc/46/76/39/601467639.db2.gz AKKOCSBSZAFQDN-OAQYLSRUSA-N -1 0 339.435 3.968 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000776629251 601468390 /nfs/dbraw/zinc/46/83/90/601468390.db2.gz WABVJNNBOVNOBP-OAHLLOKOSA-N -1 0 343.210 3.848 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc(C)n(Cc2ccccc2)c1C ZINC000237127121 601471602 /nfs/dbraw/zinc/47/16/02/601471602.db2.gz WTRQFHBQCXZIFD-HXUWFJFHSA-N -1 0 342.439 3.526 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1cccc(C(F)(F)F)c1 ZINC000336888902 601476566 /nfs/dbraw/zinc/47/65/66/601476566.db2.gz KWNOTTIDGIMQLG-OAHLLOKOSA-N -1 0 349.308 3.530 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2ccccc2OC2CCCC2)CCC1 ZINC000649538541 601478585 /nfs/dbraw/zinc/47/85/85/601478585.db2.gz QMXMKHZCXQKJQG-UHFFFAOYSA-N -1 0 332.400 3.527 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000315906578 601484442 /nfs/dbraw/zinc/48/44/42/601484442.db2.gz MQDZUMWBDWRKML-UHFFFAOYSA-N -1 0 328.771 3.588 20 0 EHADRM Cc1ccc(CCCC(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])cc1 ZINC000262553621 601494770 /nfs/dbraw/zinc/49/47/70/601494770.db2.gz VRBCVOBKNGZLCO-FQEVSTJZSA-N -1 0 337.419 3.528 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000236767609 601497464 /nfs/dbraw/zinc/49/74/64/601497464.db2.gz RYIOFEJQVDQYKI-UHFFFAOYSA-N -1 0 345.826 3.923 20 0 EHADRM C[C@@H]1CC/C(=C\C(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)C1 ZINC000828200466 601503822 /nfs/dbraw/zinc/50/38/22/601503822.db2.gz GJFOQAZHWNJUJE-GMCKNXKJSA-N -1 0 337.366 3.515 20 0 EHADRM CCCCc1nc(CN2CCc3ccccc3[C@@H]2C(=O)[O-])cs1 ZINC000829441299 601545659 /nfs/dbraw/zinc/54/56/59/601545659.db2.gz SRDOMJGWWALIKT-QGZVFWFLSA-N -1 0 330.453 3.670 20 0 EHADRM C[C@@H]1CN(c2nc(-c3cccs3)nc3ccccc32)C[C@H]1C(=O)[O-] ZINC000662891059 601564298 /nfs/dbraw/zinc/56/42/98/601564298.db2.gz UTNCTBWEDLTWDB-DGCLKSJQSA-N -1 0 339.420 3.515 20 0 EHADRM Cc1cc(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)cc(C)c1OCC(=O)[O-] ZINC000237581873 601564329 /nfs/dbraw/zinc/56/43/29/601564329.db2.gz XMMMSCGLLSRUNZ-VYDXJSESSA-N -1 0 345.439 3.560 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000343376963 601581875 /nfs/dbraw/zinc/58/18/75/601581875.db2.gz RQWPNVGCXSWKLX-HRCADAONSA-N -1 0 347.773 3.525 20 0 EHADRM C[C@@H](CC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccccc1F ZINC000345850997 601582760 /nfs/dbraw/zinc/58/27/60/601582760.db2.gz PCQYRQJCCXGBEK-GTNSWQLSSA-N -1 0 349.789 3.915 20 0 EHADRM O=C([O-])[C@@H](NC(=O)C/C=C/c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000540666266 601584577 /nfs/dbraw/zinc/58/45/77/601584577.db2.gz BAVSAKIWARPYIN-WVMJFEGXSA-N -1 0 347.773 3.825 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N(Cc2cccs2)CC(F)(F)F)C1 ZINC000833184906 601598109 /nfs/dbraw/zinc/59/81/09/601598109.db2.gz IJWVXILAHVNSBF-GHMZBOCLSA-N -1 0 349.374 3.530 20 0 EHADRM Cc1oc(-c2cccs2)nc1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000738388035 601613911 /nfs/dbraw/zinc/61/39/11/601613911.db2.gz KUELRTVHEPXVER-UHFFFAOYSA-N -1 0 342.376 3.591 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000830249213 601614960 /nfs/dbraw/zinc/61/49/60/601614960.db2.gz DPNALYQNISQEFE-AWEZNQCLSA-N -1 0 338.835 3.840 20 0 EHADRM O=C([O-])c1ccc(CN(Cc2ccco2)Cc2ccco2)cc1F ZINC000833314073 601615367 /nfs/dbraw/zinc/61/53/67/601615367.db2.gz GFHRNCJTMJZGNG-UHFFFAOYSA-N -1 0 329.327 3.912 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000237505461 601615729 /nfs/dbraw/zinc/61/57/29/601615729.db2.gz LKHJNUJVOZAJPZ-CYBMUJFWSA-N -1 0 329.371 3.660 20 0 EHADRM CCCNC(=O)Nc1cccc(OCc2cc(C(=O)[O-])sc2C)c1 ZINC000829514154 601635308 /nfs/dbraw/zinc/63/53/08/601635308.db2.gz WQLPZHIDEIHDDC-UHFFFAOYSA-N -1 0 348.424 3.865 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COc1cccc(NC(=O)C(C)C)c1 ZINC000833031917 601636388 /nfs/dbraw/zinc/63/63/88/601636388.db2.gz VUYWPTOPIVCBGH-UHFFFAOYSA-N -1 0 333.409 3.928 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCCc2ccc(F)c(F)c2)ccc1F ZINC000776630630 601644666 /nfs/dbraw/zinc/64/46/66/601644666.db2.gz PGGRYFYGNXPLDZ-UHFFFAOYSA-N -1 0 337.297 3.764 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NCc1csc(-c2ccco2)n1)c1ccccc1 ZINC000826051203 601650184 /nfs/dbraw/zinc/65/01/84/601650184.db2.gz BIVDZJHTPLZDBY-WBMJQRKESA-N -1 0 342.420 3.955 20 0 EHADRM C[C@H](CSc1ccc(F)cc1)C(=O)OCc1ccc(C(=O)[O-])o1 ZINC000827582129 601669453 /nfs/dbraw/zinc/66/94/53/601669453.db2.gz ZBZYIYRFVDUJDO-SNVBAGLBSA-N -1 0 338.356 3.589 20 0 EHADRM COc1cc(C)c(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])cc1OC ZINC000831961940 601670607 /nfs/dbraw/zinc/67/06/07/601670607.db2.gz RHKNDIAZDVKSKA-UHFFFAOYSA-N -1 0 349.770 3.616 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)c2cc(F)cc(Cl)c2)cc1 ZINC000833288175 601673637 /nfs/dbraw/zinc/67/36/37/601673637.db2.gz VNIRAXWNVQLHGA-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM Cc1cc(C(=O)N(C)[C@@H](C)c2cccs2)cc(C)c1OCC(=O)[O-] ZINC000237602518 601675117 /nfs/dbraw/zinc/67/51/17/601675117.db2.gz KXKGMELLZGNTDQ-ZDUSSCGKSA-N -1 0 347.436 3.662 20 0 EHADRM COc1c(F)ccc(F)c1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000761726727 601679116 /nfs/dbraw/zinc/67/91/16/601679116.db2.gz QCKIVVRGXZJHFT-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000832850110 601696304 /nfs/dbraw/zinc/69/63/04/601696304.db2.gz CALOLPFTBZITND-MEDUHNTESA-N -1 0 337.375 3.687 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N[C@@H](C(=O)[O-])c3ccc(Cl)cc3)cc2c1 ZINC000538465908 601699262 /nfs/dbraw/zinc/69/92/62/601699262.db2.gz WZQOHWLEGCGPLJ-MRXNPFEDSA-N -1 0 342.782 3.685 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccccc2CCC(F)(F)F)n1 ZINC000345773858 601701582 /nfs/dbraw/zinc/70/15/82/601701582.db2.gz BHEMMFVAEYPYKG-UHFFFAOYSA-N -1 0 338.285 3.527 20 0 EHADRM CCOc1cc(-c2ccccc2)sc1C(=O)NCC(C)(C)C(=O)[O-] ZINC000237066854 601706701 /nfs/dbraw/zinc/70/67/01/601706701.db2.gz SAJPGBXDURLCNR-UHFFFAOYSA-N -1 0 347.436 3.654 20 0 EHADRM CC(C)(CNC(=O)/C(=C\c1ccc(F)cc1)c1cccs1)C(=O)[O-] ZINC000767187586 601709929 /nfs/dbraw/zinc/70/99/29/601709929.db2.gz WYZHSWGYRVJNOM-UVTDQMKNSA-N -1 0 347.411 3.655 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccc(F)cc1F ZINC000736649276 601718986 /nfs/dbraw/zinc/71/89/86/601718986.db2.gz QKQJRANBLCVBTQ-MRVPVSSYSA-N -1 0 338.285 3.685 20 0 EHADRM O=C([O-])c1ccc(COC(=O)CCn2ccc3ccccc32)cc1F ZINC000833103979 601719867 /nfs/dbraw/zinc/71/98/67/601719867.db2.gz POFDTOGHOBVNKD-UHFFFAOYSA-N -1 0 341.338 3.612 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cc1F ZINC000833313884 601723956 /nfs/dbraw/zinc/72/39/56/601723956.db2.gz FOFUHNCATICHEO-QWRGUYRKSA-N -1 0 348.292 3.936 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2cc(Cl)ccc2o1)c1ccccc1F ZINC000678988885 601734490 /nfs/dbraw/zinc/73/44/90/601734490.db2.gz OXLDPVITBQJARN-OAHLLOKOSA-N -1 0 347.729 3.781 20 0 EHADRM CCc1[nH]c(C(=O)N[C@H](C)c2ccc(C)c(F)c2)c(C)c1C(=O)[O-] ZINC000830191516 601739865 /nfs/dbraw/zinc/73/98/65/601739865.db2.gz HPHNWUOHGXDLIP-LLVKDONJSA-N -1 0 332.375 3.522 20 0 EHADRM C[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccccc1F)c1ccc(Cl)s1 ZINC000683320675 601742110 /nfs/dbraw/zinc/74/21/10/601742110.db2.gz YQVHYEISFDCZEY-ISVAXAHUSA-N -1 0 341.791 3.586 20 0 EHADRM O=C([O-])[C@H]1CCCCN1C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000345783940 601743719 /nfs/dbraw/zinc/74/37/19/601743719.db2.gz STDUQEXECOKWBD-GFCCVEGCSA-N -1 0 341.194 3.554 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC000825798210 601743843 /nfs/dbraw/zinc/74/38/43/601743843.db2.gz CMIYPPRFXVOOHP-LUAWRHEFSA-N -1 0 348.399 3.732 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1[nH]c2ccccc2c1Cl)c1ccccc1F ZINC000678986771 601745260 /nfs/dbraw/zinc/74/52/60/601745260.db2.gz NURNHCHLEGTFND-CQSZACIVSA-N -1 0 346.745 3.516 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)c1 ZINC000314442605 601748952 /nfs/dbraw/zinc/74/89/52/601748952.db2.gz BYXPMPMGELMJKO-AWEZNQCLSA-N -1 0 341.860 3.825 20 0 EHADRM Cc1nc(C)c(NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)s1 ZINC000832996009 601759621 /nfs/dbraw/zinc/75/96/21/601759621.db2.gz OTYMTAFCIOLGIV-UHFFFAOYSA-N -1 0 333.413 3.766 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000833285976 601780733 /nfs/dbraw/zinc/78/07/33/601780733.db2.gz MOBIHGDPPDXDAW-CYBMUJFWSA-N -1 0 343.358 3.937 20 0 EHADRM C[C@H](Nc1nc(Cl)c(C(=O)[O-])s1)[C@H]1Oc2ccccc2[C@H]1C ZINC000827773246 601786563 /nfs/dbraw/zinc/78/65/63/601786563.db2.gz FIAMIADAPNXXCN-FYBVGQRMSA-N -1 0 338.816 3.860 20 0 EHADRM Cc1cc(F)ccc1CCNC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000327028073 601792057 /nfs/dbraw/zinc/79/20/57/601792057.db2.gz KBUBSQDSAHIFOV-UHFFFAOYSA-N -1 0 344.386 3.516 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)c2cc3cccc(Cl)c3o2)cc1 ZINC000833312993 601801240 /nfs/dbraw/zinc/80/12/40/601801240.db2.gz IPRWFCXTSKWCBY-UHFFFAOYSA-N -1 0 343.766 3.757 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)CCc2ccoc2)c1 ZINC000263536858 601803022 /nfs/dbraw/zinc/80/30/22/601803022.db2.gz OYQHHMXRYXMMRJ-UHFFFAOYSA-N -1 0 333.409 3.559 20 0 EHADRM COc1ccc(CNC(=O)N(C)C2CCC(C)(C)CC2)cc1C(=O)[O-] ZINC000832323777 601804769 /nfs/dbraw/zinc/80/47/69/601804769.db2.gz QUVMDINYSDZARI-UHFFFAOYSA-N -1 0 348.443 3.504 20 0 EHADRM Cc1ccccc1OCC(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000832979877 601807317 /nfs/dbraw/zinc/80/73/17/601807317.db2.gz WZGJLAMASXHVMC-UHFFFAOYSA-N -1 0 331.393 3.650 20 0 EHADRM C[C@@H](C(=O)NC[C@H](C(=O)[O-])c1ccccc1)c1ccc2ccccc2c1 ZINC000826005024 601812952 /nfs/dbraw/zinc/81/29/52/601812952.db2.gz RBDHVBKSMRZMJQ-QRWLVFNGSA-N -1 0 347.414 3.928 20 0 EHADRM Cc1ccccc1NC(=O)CSCc1ccc(C(=O)[O-])c(F)c1 ZINC000832978561 601814444 /nfs/dbraw/zinc/81/44/44/601814444.db2.gz KWASHNGMEBDKSF-UHFFFAOYSA-N -1 0 333.384 3.704 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000537481766 601816684 /nfs/dbraw/zinc/81/66/84/601816684.db2.gz LRTLQJGCUXGZEC-UHFFFAOYSA-N -1 0 345.370 3.803 20 0 EHADRM CC[C@](NCc1nc(C(C)(C)C)cs1)(C(=O)[O-])c1ccccc1 ZINC000828988850 601824003 /nfs/dbraw/zinc/82/40/03/601824003.db2.gz HKTBRNMGCTUIMI-GOSISDBHSA-N -1 0 332.469 3.920 20 0 EHADRM COc1cccc([C@H](C)CC(=O)Oc2ccc(C)cc2C(=O)[O-])c1 ZINC000832533067 601843418 /nfs/dbraw/zinc/84/34/18/601843418.db2.gz HDEDBXFPVLGMNM-CYBMUJFWSA-N -1 0 328.364 3.801 20 0 EHADRM C[C@@H](NC(=O)[C@H](C)SCc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000827907970 601846842 /nfs/dbraw/zinc/84/68/42/601846842.db2.gz DLZLITIOWYZUEH-NEPJUHHUSA-N -1 0 349.477 3.945 20 0 EHADRM CCc1ccc([C@@H](C)NC(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC000666512992 601848222 /nfs/dbraw/zinc/84/82/22/601848222.db2.gz ARWMXCNHEHOOFU-CYBMUJFWSA-N -1 0 326.396 3.508 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)c2ccccc12 ZINC000767200191 601849595 /nfs/dbraw/zinc/84/95/95/601849595.db2.gz GEJHHYZZZIYCOU-UHFFFAOYSA-N -1 0 339.322 3.938 20 0 EHADRM Cc1cc(C)cc([C@@H](C)NC(=O)NCc2cccc(C(=O)[O-])c2)c1 ZINC000666526656 601869010 /nfs/dbraw/zinc/86/90/10/601869010.db2.gz HZGIJAGLSWVNDN-CQSZACIVSA-N -1 0 326.396 3.562 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC000827586565 601874754 /nfs/dbraw/zinc/87/47/54/601874754.db2.gz PVNVUIUUESILCR-LBPRGKRZSA-N -1 0 348.395 3.787 20 0 EHADRM COc1cccc([C@@H](C)C(=O)Oc2ccc(SCC(=O)[O-])cc2)c1 ZINC000832527864 601875384 /nfs/dbraw/zinc/87/53/84/601875384.db2.gz DLYPRTOHFMQBRD-GFCCVEGCSA-N -1 0 346.404 3.581 20 0 EHADRM CC[C@H](NC(=O)[O-])C(=O)Nc1ccc(C)cc1OCc1ccccc1 ZINC000739534378 601878270 /nfs/dbraw/zinc/87/82/70/601878270.db2.gz JJZGWLNZFMNZIN-HNNXBMFYSA-N -1 0 342.395 3.559 20 0 EHADRM C[C@H]1CN(Cc2ccc(C(=O)[O-])c(F)c2)C[C@@H](c2ccsc2)O1 ZINC000828457337 601885049 /nfs/dbraw/zinc/88/50/49/601885049.db2.gz SNETVVHBSBCISO-ZBEGNZNMSA-N -1 0 335.400 3.547 20 0 EHADRM O=C([O-])C[C@@H]1CSCCN1Cc1csc(C2CCCCC2)n1 ZINC000568771776 601889567 /nfs/dbraw/zinc/88/95/67/601889567.db2.gz FEMZQRDZPVHRCR-CQSZACIVSA-N -1 0 340.514 3.583 20 0 EHADRM COc1ccc([C@H](C)CC(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])cc1 ZINC000262035018 601901649 /nfs/dbraw/zinc/90/16/49/601901649.db2.gz BSLZHJHXAHPGLV-FHLIZLRMSA-N -1 0 347.455 3.729 20 0 EHADRM CC(C)Oc1cccc(CC(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])c1 ZINC000537410731 601904258 /nfs/dbraw/zinc/90/42/58/601904258.db2.gz IOCLSBMGIBRTOK-QZTJIDSGSA-N -1 0 347.455 3.556 20 0 EHADRM COc1cccc([C@H](C)CC(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])c1 ZINC000262087595 601906826 /nfs/dbraw/zinc/90/68/26/601906826.db2.gz LFPSZLHPQRPRTL-FHLIZLRMSA-N -1 0 347.455 3.729 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)c1cc(Cl)nc(Cl)c1 ZINC000833131836 601908001 /nfs/dbraw/zinc/90/80/01/601908001.db2.gz HYRSYSYHOGFUCN-GHMZBOCLSA-N -1 0 345.226 3.542 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)N[C@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000537366205 601910487 /nfs/dbraw/zinc/91/04/87/601910487.db2.gz LIMOQWNRIFEUCB-OLZOCXBDSA-N -1 0 338.473 3.728 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)Cc1cc2ccccc2o1 ZINC000833117459 601913455 /nfs/dbraw/zinc/91/34/55/601913455.db2.gz VSPWWJVGVRBNLJ-CVEARBPZSA-N -1 0 329.396 3.515 20 0 EHADRM Cc1ccc2c(CC(=O)NCc3cccc(C(=O)[O-])c3)coc2c1C ZINC000237874386 601918757 /nfs/dbraw/zinc/91/87/57/601918757.db2.gz JQDQANQAUUHTMZ-UHFFFAOYSA-N -1 0 337.375 3.607 20 0 EHADRM CC(C)c1ccc(CCC(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC000236638365 601919249 /nfs/dbraw/zinc/91/92/49/601919249.db2.gz LQWMVKWVOSNGBD-UHFFFAOYSA-N -1 0 325.408 3.757 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000237026813 601921917 /nfs/dbraw/zinc/92/19/17/601921917.db2.gz YZZCUDJAAOSQKN-INIZCTEOSA-N -1 0 329.421 3.572 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2cc3ccc(F)cc3s2)c1 ZINC000321562563 601923545 /nfs/dbraw/zinc/92/35/45/601923545.db2.gz OCNSBHXHWVCXRC-UHFFFAOYSA-N -1 0 329.352 3.669 20 0 EHADRM C[C@H](c1ccccc1)N(C(=O)C1CCC(NC(=O)[O-])CC1)C1CC1 ZINC000739060843 601927734 /nfs/dbraw/zinc/92/77/34/601927734.db2.gz WVELKZJSTHMCAP-IUDNXUCKSA-N -1 0 330.428 3.565 20 0 EHADRM O=C([O-])c1cccc(CNc2nc(C(F)F)nc3ccccc32)c1 ZINC000833328924 601933148 /nfs/dbraw/zinc/93/31/48/601933148.db2.gz BOERELXWLSYTRR-UHFFFAOYSA-N -1 0 329.306 3.878 20 0 EHADRM O=C([O-])c1ccc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)s1 ZINC000579861932 601942417 /nfs/dbraw/zinc/94/24/17/601942417.db2.gz ZCJPSVPJVKHFJA-AWEZNQCLSA-N -1 0 337.828 3.673 20 0 EHADRM C[C@@H]1C[C@@H](C)CN(C(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000828160750 601951416 /nfs/dbraw/zinc/95/14/16/601951416.db2.gz JVHSWTRFRKACDV-NXEZZACHSA-N -1 0 344.333 3.913 20 0 EHADRM CC[C@H](C)c1ccc(NC(=O)CNc2cccc(CC(=O)[O-])c2)cc1 ZINC000737788347 601965518 /nfs/dbraw/zinc/96/55/18/601965518.db2.gz FOWIUVKVIBHDKG-AWEZNQCLSA-N -1 0 340.423 3.878 20 0 EHADRM Cc1cc(C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)c(Cl)cc1F ZINC000832867920 601985165 /nfs/dbraw/zinc/98/51/65/601985165.db2.gz GDTWHWBRTOHJGG-AWEZNQCLSA-N -1 0 340.709 3.909 20 0 EHADRM Cc1coc(-c2ccc(C)c(NC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)c2)n1 ZINC000832987406 601993289 /nfs/dbraw/zinc/99/32/89/601993289.db2.gz GEHCVBSALCBEKD-HIFRSBDPSA-N -1 0 342.395 3.788 20 0 EHADRM Cc1cc2occ(CC(=O)Nc3ccc(NC(=O)[O-])nc3)c2cc1C ZINC000740094648 601997846 /nfs/dbraw/zinc/99/78/46/601997846.db2.gz ISMJSCWIMQYSDI-UHFFFAOYSA-N -1 0 339.351 3.716 20 0 EHADRM CC(C)N(C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000826925048 601999163 /nfs/dbraw/zinc/99/91/63/601999163.db2.gz YVAVBLDDPHIVQK-UHFFFAOYSA-N -1 0 330.306 3.808 20 0 EHADRM Cc1cccc(C)c1OCCC(=O)OCc1ccc(C(=O)[O-])s1 ZINC000832964923 602002595 /nfs/dbraw/zinc/00/25/95/602002595.db2.gz FDGOUWUAJWMHLD-UHFFFAOYSA-N -1 0 334.393 3.575 20 0 EHADRM CO[C@@H](CNc1nc(Cl)c(C(=O)[O-])s1)c1ccccc1Cl ZINC000831526701 602012969 /nfs/dbraw/zinc/01/29/69/602012969.db2.gz LGXOBRNJWICVQE-VIFPVBQESA-N -1 0 347.223 3.948 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)Nc2ccc(CCC(F)(F)F)cc2)C1 ZINC000263075144 602020768 /nfs/dbraw/zinc/02/07/68/602020768.db2.gz QJYACINAYGHWIS-HNNXBMFYSA-N -1 0 344.333 3.510 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000238099949 602021332 /nfs/dbraw/zinc/02/13/32/602021332.db2.gz NFRKRHMHZSIHGS-RXVVDRJESA-N -1 0 343.467 3.822 20 0 EHADRM CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2cc(C(=O)[O-])ccc2F)C1 ZINC000830151019 602031609 /nfs/dbraw/zinc/03/16/09/602031609.db2.gz SMUWDAHSAYHGKD-VXGBXAGGSA-N -1 0 340.420 3.662 20 0 EHADRM COc1cc(C)ccc1NC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000831967109 602034627 /nfs/dbraw/zinc/03/46/27/602034627.db2.gz NPNZEZQNWJNMEQ-ZIAGYGMSSA-N -1 0 334.416 3.549 20 0 EHADRM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1cc(Cl)ccc1NCc1ccccc1 ZINC000833180782 602037422 /nfs/dbraw/zinc/03/74/22/602037422.db2.gz IGBHCHJRLYRJPJ-KBPBESRZSA-N -1 0 344.798 3.611 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)c2cccc(Cl)c2F)cc1 ZINC000833264403 602041477 /nfs/dbraw/zinc/04/14/77/602041477.db2.gz QNTMOMJLYVHINH-UHFFFAOYSA-N -1 0 340.759 3.875 20 0 EHADRM CC(C)c1cc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c(O)c(C(C)C)c1 ZINC000263447207 602052628 /nfs/dbraw/zinc/05/26/28/602052628.db2.gz RHJXTGIUNFJGFP-LJQANCHMSA-N -1 0 333.428 3.576 20 0 EHADRM C[C@@H](NC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000263124202 602056027 /nfs/dbraw/zinc/05/60/27/602056027.db2.gz YGIIRGSMMXAJMA-PSLIRLAXSA-N -1 0 345.226 3.561 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(CC(=O)[O-])c2)cc(C)c1OC(F)F ZINC000237794170 602065287 /nfs/dbraw/zinc/06/52/87/602065287.db2.gz LUBNBYCNWFXKQE-UHFFFAOYSA-N -1 0 349.333 3.784 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)c1 ZINC000345777741 602069210 /nfs/dbraw/zinc/06/92/10/602069210.db2.gz MNCCNTLKCOGHAW-HOTGVXAUSA-N -1 0 329.783 3.709 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000236887246 602069989 /nfs/dbraw/zinc/06/99/89/602069989.db2.gz MBHZHDCDTATMQU-CQSZACIVSA-N -1 0 341.407 3.845 20 0 EHADRM Cc1cccc(OCCCCC(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000263145986 602071553 /nfs/dbraw/zinc/07/15/53/602071553.db2.gz KSVGGHNDHNASQQ-UHFFFAOYSA-N -1 0 341.407 3.810 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000827273826 602084126 /nfs/dbraw/zinc/08/41/26/602084126.db2.gz UVJGJOFUYVYVHC-DJJJIMSYSA-N -1 0 337.375 3.749 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cncc(F)c1)c1cc(Cl)cc(Cl)c1 ZINC000833349804 602090265 /nfs/dbraw/zinc/09/02/65/602090265.db2.gz GLJVDMPZZRBAPO-GFCCVEGCSA-N -1 0 344.125 3.510 20 0 EHADRM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)NCCCCCCCC(=O)[O-] ZINC000828151355 602095155 /nfs/dbraw/zinc/09/51/55/602095155.db2.gz WBYUQYGMSUTBAU-AEFFLSMTSA-N -1 0 346.471 3.999 20 0 EHADRM Cc1ccc2c(c1)[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)CO2 ZINC000832961868 602104762 /nfs/dbraw/zinc/10/47/62/602104762.db2.gz MQSOLSVJYCEWAO-CQSZACIVSA-N -1 0 346.770 3.602 20 0 EHADRM Cc1oc(COC(=O)c2cc(C(F)(F)F)ccc2F)cc1C(=O)[O-] ZINC000833026216 602106906 /nfs/dbraw/zinc/10/69/06/602106906.db2.gz DUVQZURCCRWEHF-UHFFFAOYSA-N -1 0 346.232 3.801 20 0 EHADRM CC[C@H](C)N1C(=O)N[C@H](c2cnc(C3CCC3)s2)C(C(=O)[O-])=C1C ZINC000828753402 602110141 /nfs/dbraw/zinc/11/01/41/602110141.db2.gz MYEQOZWCUVSRCZ-LKFCYVNXSA-N -1 0 349.456 3.634 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc2sccc2c1 ZINC000262218677 602118491 /nfs/dbraw/zinc/11/84/91/602118491.db2.gz WXFONHZNZXHANQ-GLQYFDAESA-N -1 0 329.421 3.759 20 0 EHADRM CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1ccc2oc(C(C)C)nc2c1 ZINC000739296996 602122037 /nfs/dbraw/zinc/12/20/37/602122037.db2.gz QUCLTOZKZPOQFJ-QGZVFWFLSA-N -1 0 333.388 3.716 20 0 EHADRM Cc1ccc(-c2nnc(CNc3ccc(F)c(NC(=O)[O-])c3)o2)cc1 ZINC000832908416 602128909 /nfs/dbraw/zinc/12/89/09/602128909.db2.gz KFERUBPGZGZZFE-UHFFFAOYSA-N -1 0 342.330 3.886 20 0 EHADRM CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1ccc(-c2ccccc2)cn1 ZINC000739304818 602133531 /nfs/dbraw/zinc/13/35/31/602133531.db2.gz VLRKBYSJOHKPJC-GOSISDBHSA-N -1 0 327.384 3.514 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)Nc1nc2ccccc2n1C1CCCCC1 ZINC000827324782 602135774 /nfs/dbraw/zinc/13/57/74/602135774.db2.gz KWIQMXCQLVSFNE-LBPRGKRZSA-N -1 0 329.400 3.591 20 0 EHADRM CCC[C@@](C)(NC(=O)[O-])C(=O)N[C@@H](C)c1ccccc1C(F)(F)F ZINC000739287462 602137163 /nfs/dbraw/zinc/13/71/63/602137163.db2.gz DIYQXIZDODGWIE-ZUZCIYMTSA-N -1 0 346.349 3.709 20 0 EHADRM C[C@@H](NC(=O)[C@@H](C)CC(=O)[O-])c1ccccc1Oc1ccccc1 ZINC000827271495 602139522 /nfs/dbraw/zinc/13/95/22/602139522.db2.gz JINCASTZISNJPH-UONOGXRCSA-N -1 0 327.380 3.767 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000181653758 602140117 /nfs/dbraw/zinc/14/01/17/602140117.db2.gz FVRWLQSYJOGVCB-MAUKXSAKSA-N -1 0 347.455 3.837 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000829010033 602151219 /nfs/dbraw/zinc/15/12/19/602151219.db2.gz ZTSADMPFWBIFIE-QGZVFWFLSA-N -1 0 348.443 3.563 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)NCc1ccccc1Sc1ccccc1 ZINC000827296745 602153087 /nfs/dbraw/zinc/15/30/87/602153087.db2.gz WCIGVZMSCVUCSS-CYBMUJFWSA-N -1 0 329.421 3.565 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000262219269 602159112 /nfs/dbraw/zinc/15/91/12/602159112.db2.gz VDHRTKNGXQKPHF-MPGHIAIKSA-N -1 0 347.455 3.693 20 0 EHADRM CSc1cc(C(=O)N(C)C[C@@H](C)C(=O)[O-])c(Cl)cc1Cl ZINC000237425752 602159172 /nfs/dbraw/zinc/15/91/72/602159172.db2.gz ODLFCMXPRYUWFX-SSDOTTSWSA-N -1 0 336.240 3.508 20 0 EHADRM CCC(=O)c1ccc(OCCOc2cccc(C(=O)[O-])c2)c(F)c1 ZINC000828574478 602160266 /nfs/dbraw/zinc/16/02/66/602160266.db2.gz SDWYGBWMOKVFFQ-UHFFFAOYSA-N -1 0 332.327 3.574 20 0 EHADRM COc1ccccc1-c1ccc([C@H](C)NC(=O)[C@@H](C)CC(=O)[O-])cc1 ZINC000832577287 602172806 /nfs/dbraw/zinc/17/28/06/602172806.db2.gz DWWUYKMMMAWMEE-KBPBESRZSA-N -1 0 341.407 3.650 20 0 EHADRM COc1ccccc1C(C)=CC(=O)Nc1ccccc1NC(=O)[O-] ZINC000739957034 602172825 /nfs/dbraw/zinc/17/28/25/602172825.db2.gz YLNHUFUQTGZKPY-QXMHVHEDSA-N -1 0 326.352 3.827 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)c1csc(-c2ccccn2)n1 ZINC000740715124 602173641 /nfs/dbraw/zinc/17/36/41/602173641.db2.gz FVTHGMPFZQGSLB-UHFFFAOYSA-N -1 0 340.364 3.547 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N1CCCC[C@@H]1c1nc(C(C)(C)C)cs1 ZINC000827257922 602175152 /nfs/dbraw/zinc/17/51/52/602175152.db2.gz VEPFVDWQWHPPGS-NWDGAFQWSA-N -1 0 338.473 3.605 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)c1csc(Br)c1 ZINC000740715808 602176954 /nfs/dbraw/zinc/17/69/54/602176954.db2.gz PMJMVMPMBUEUET-UHFFFAOYSA-N -1 0 341.186 3.853 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2ccccc2NC(=O)[O-])cc1C ZINC000740103901 602177237 /nfs/dbraw/zinc/17/72/37/602177237.db2.gz OWJBMRCCTTVVKI-UHFFFAOYSA-N -1 0 340.379 3.995 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)c1ccc(Br)cc1 ZINC000740716569 602180332 /nfs/dbraw/zinc/18/03/32/602180332.db2.gz WAUPPOXJCFSHBG-UHFFFAOYSA-N -1 0 335.157 3.791 20 0 EHADRM CCCOc1ccc(CCC(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000555741785 602182030 /nfs/dbraw/zinc/18/20/30/602182030.db2.gz XBZVLBDGBHHVQT-UHFFFAOYSA-N -1 0 333.409 3.806 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000649353178 602187891 /nfs/dbraw/zinc/18/78/91/602187891.db2.gz BUVYNALORRFTTR-JQFCIGGWSA-N -1 0 340.423 3.643 20 0 EHADRM Cc1nc2cc(F)ccc2cc1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000191378169 602188209 /nfs/dbraw/zinc/18/82/09/602188209.db2.gz NQISRHDOQFIRSM-UHFFFAOYSA-N -1 0 330.340 3.694 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(-c2ccco2)s1 ZINC000833180351 602189968 /nfs/dbraw/zinc/18/99/68/602189968.db2.gz BZNLPTAVMHANHL-AGIUHOORSA-N -1 0 345.420 3.866 20 0 EHADRM CC1(C)C[C@H](NC(=O)c2ccc(NC(=O)[O-])cc2)c2ccccc2O1 ZINC000828056730 602198182 /nfs/dbraw/zinc/19/81/82/602198182.db2.gz WAVXVIJDWPEZAZ-HNNXBMFYSA-N -1 0 340.379 3.809 20 0 EHADRM CC(C)CC[C@@H]1CCCCN1C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000663059142 602201674 /nfs/dbraw/zinc/20/16/74/602201674.db2.gz BLNURJVQWUTDCO-INIZCTEOSA-N -1 0 333.428 3.581 20 0 EHADRM CCC[C@](C)(NC(=O)[O-])C(=O)OCc1nc(-c2ccccc2)oc1C ZINC000739300688 602220702 /nfs/dbraw/zinc/22/07/02/602220702.db2.gz YQSZLOXEOOUTFH-SFHVURJKSA-N -1 0 346.383 3.520 20 0 EHADRM O=C([O-])N1CCC(n2cccc2C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000740462372 602229761 /nfs/dbraw/zinc/22/97/61/602229761.db2.gz UQZBVYFPSLVJMH-UHFFFAOYSA-N -1 0 347.802 3.709 20 0 EHADRM C[C@@H](NC(=S)Nc1ccc2c(c1)CCN2C(=O)[O-])c1cccs1 ZINC000739029692 602234760 /nfs/dbraw/zinc/23/47/60/602234760.db2.gz GFMKBAGIPXYHCK-SNVBAGLBSA-N -1 0 347.465 3.836 20 0 EHADRM COc1ccc(NC(=O)c2csc(C(C)C)n2)cc1NC(=O)[O-] ZINC000739920870 602235464 /nfs/dbraw/zinc/23/54/64/602235464.db2.gz ZHFUSHJTNDVPPR-UHFFFAOYSA-N -1 0 335.385 3.617 20 0 EHADRM CN(CCCC(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C)C(=O)[O-] ZINC000830759346 602235701 /nfs/dbraw/zinc/23/57/01/602235701.db2.gz XUKODOKPCJBNEM-HNNXBMFYSA-N -1 0 342.386 3.558 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)c3ccc4ncccc4c3)ccc21 ZINC000740469485 602238265 /nfs/dbraw/zinc/23/82/65/602238265.db2.gz GCHDPNOOSWUIDT-UHFFFAOYSA-N -1 0 333.347 3.528 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)CCc3ccccc3Cl)ccc21 ZINC000740361754 602240539 /nfs/dbraw/zinc/24/05/39/602240539.db2.gz XEWVHLMWROFMKZ-UHFFFAOYSA-N -1 0 344.798 3.952 20 0 EHADRM Cc1ccccc1SCC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000740189955 602244224 /nfs/dbraw/zinc/24/42/24/602244224.db2.gz FSNOKAHSJCZJDL-UHFFFAOYSA-N -1 0 342.420 3.766 20 0 EHADRM COc1ccc(C(C)(C)C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000832216786 602245443 /nfs/dbraw/zinc/24/54/43/602245443.db2.gz PNNPOUQDFHVWSV-UHFFFAOYSA-N -1 0 346.358 3.841 20 0 EHADRM C[C@H](NC(=O)c1ccc(CNC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000739024198 602260549 /nfs/dbraw/zinc/26/05/49/602260549.db2.gz PRCPAWZDXUYTSV-NSHDSACASA-N -1 0 332.787 3.599 20 0 EHADRM Cc1oc(-c2ccccc2)nc1CN1CCCC[C@@H]1[C@@H](C)NC(=O)[O-] ZINC000740271435 602264199 /nfs/dbraw/zinc/26/41/99/602264199.db2.gz OPSLLKXJYNSCKW-CXAGYDPISA-N -1 0 343.427 3.661 20 0 EHADRM Cc1ccc(CN(C)C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])cc1 ZINC000740124034 602279479 /nfs/dbraw/zinc/27/94/79/602279479.db2.gz ZVPVFXBYYBMWOK-UHFFFAOYSA-N -1 0 339.395 3.699 20 0 EHADRM CCN(Cc1ccccc1NC(=O)Cc1cccc(C)c1)C(=O)[O-] ZINC000739442737 602289746 /nfs/dbraw/zinc/28/97/46/602289746.db2.gz HXZZAGKGIOZNCQ-UHFFFAOYSA-N -1 0 326.396 3.676 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)Nc1cc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000827303869 602298923 /nfs/dbraw/zinc/29/89/23/602298923.db2.gz KDXPBYJRXFZIQW-NSHDSACASA-N -1 0 330.384 3.688 20 0 EHADRM CCCNc1ccc(C(F)(F)F)cc1NC(=O)CCCNC(=O)[O-] ZINC000829519348 602317191 /nfs/dbraw/zinc/31/71/91/602317191.db2.gz GHGQCCYECSTHPZ-UHFFFAOYSA-N -1 0 347.337 3.514 20 0 EHADRM CCN(Cc1cccc(NC(=O)c2cc(C)ccc2F)c1)C(=O)[O-] ZINC000739446473 602323981 /nfs/dbraw/zinc/32/39/81/602323981.db2.gz JLXDLBLHQCVNBT-UHFFFAOYSA-N -1 0 330.359 3.886 20 0 EHADRM CC(C)c1cccc(C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)n1 ZINC000827128942 602349769 /nfs/dbraw/zinc/34/97/69/602349769.db2.gz DTRGIDLPFAXROH-UHFFFAOYSA-N -1 0 346.814 3.585 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc(Br)c2)cc1F ZINC000224833248 602353106 /nfs/dbraw/zinc/35/31/06/602353106.db2.gz KIVDKXZBPOLNSB-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1F ZINC000323175739 602356906 /nfs/dbraw/zinc/35/69/06/602356906.db2.gz YDBKEURQDMVDIX-UHFFFAOYSA-N -1 0 348.380 3.961 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000828765107 602357748 /nfs/dbraw/zinc/35/77/48/602357748.db2.gz WJRLDQGOQZICOS-LLVKDONJSA-N -1 0 331.343 3.954 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCCc2ccc(F)c(F)c2)cc1F ZINC000776647827 602357856 /nfs/dbraw/zinc/35/78/56/602357856.db2.gz STFCZMSDQXSPMA-UHFFFAOYSA-N -1 0 337.297 3.764 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1F ZINC000391562168 602358161 /nfs/dbraw/zinc/35/81/61/602358161.db2.gz PEWOQLXBDCBKTK-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000828515294 602369949 /nfs/dbraw/zinc/36/99/49/602369949.db2.gz AGXLFTUEVQNKSP-MGPLVRAMSA-N -1 0 328.343 3.579 20 0 EHADRM Cn1cc(NC(=O)N2CCC[C@@H]2CC2CCCCC2)cc1C(=O)[O-] ZINC000833049916 602370750 /nfs/dbraw/zinc/37/07/50/602370750.db2.gz XUZIQWLSUYIVGN-OAHLLOKOSA-N -1 0 333.432 3.690 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1nc(C)cs1 ZINC000828951081 602371420 /nfs/dbraw/zinc/37/14/20/602371420.db2.gz CABGLDQHNJNAED-LBPRGKRZSA-N -1 0 337.376 3.562 20 0 EHADRM CC(C)Oc1ccccc1CNC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000827063229 602378431 /nfs/dbraw/zinc/37/84/31/602378431.db2.gz XYTCTNVDQQLQDG-UHFFFAOYSA-N -1 0 346.358 3.633 20 0 EHADRM CC[C@H](NC(=O)[O-])C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000739531155 602379034 /nfs/dbraw/zinc/37/90/34/602379034.db2.gz YEDYICUDXZBFHN-JKSUJKDBSA-N -1 0 346.814 3.592 20 0 EHADRM Cc1ccc([C@H](C)CNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000832920670 602383197 /nfs/dbraw/zinc/38/31/97/602383197.db2.gz GWLYCXLPECNKLR-GFCCVEGCSA-N -1 0 330.359 3.758 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2CCSc3ccccc32)cc1F ZINC000833319431 602394368 /nfs/dbraw/zinc/39/43/68/602394368.db2.gz VJSCVTPERFIKSS-LBPRGKRZSA-N -1 0 331.368 3.742 20 0 EHADRM O=C([O-])CN(C(=O)CCc1ccc(-c2ccccc2)o1)C1CCCC1 ZINC000833244651 602399864 /nfs/dbraw/zinc/39/98/64/602399864.db2.gz CCIDDQPHSJMNNI-UHFFFAOYSA-N -1 0 341.407 3.735 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(Cl)nc3ccccc32)cc1F ZINC000326478118 602403009 /nfs/dbraw/zinc/40/30/09/602403009.db2.gz VBZWAWJRBKNZBX-UHFFFAOYSA-N -1 0 344.729 3.978 20 0 EHADRM COc1ccc(-c2noc(-c3ccc(F)c(NC(=O)[O-])c3)n2)cc1 ZINC000739882136 602406303 /nfs/dbraw/zinc/40/63/03/602406303.db2.gz HXCBMHHZMZOANB-UHFFFAOYSA-N -1 0 329.287 3.641 20 0 EHADRM Cc1c(Cl)cccc1NC(=O)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000740047483 602408692 /nfs/dbraw/zinc/40/86/92/602408692.db2.gz WHIVZXUNTBHGIL-UHFFFAOYSA-N -1 0 339.823 3.502 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(Cc2c(F)cccc2Cl)n1 ZINC000738825533 602409322 /nfs/dbraw/zinc/40/93/22/602409322.db2.gz XNXNYKCRKKUHLQ-LBPRGKRZSA-N -1 0 341.770 3.808 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(C[C@H](C)c2ccc(F)cc2)n1 ZINC000738817961 602409787 /nfs/dbraw/zinc/40/97/87/602409787.db2.gz WDECVQXUTPKDMZ-FZMZJTMJSA-N -1 0 335.379 3.910 20 0 EHADRM C[C@H](C1CC1)N(C(=O)CC[C@H](NC(=O)[O-])c1ccccc1)C1CC1 ZINC000738890583 602457894 /nfs/dbraw/zinc/45/78/94/602457894.db2.gz MYKJCBYWUQMRSN-DYVFJYSZSA-N -1 0 330.428 3.565 20 0 EHADRM CCN(Cc1ccccc1NC(=O)c1cc(F)ccc1C)C(=O)[O-] ZINC000739441647 602459604 /nfs/dbraw/zinc/45/96/04/602459604.db2.gz CVRPGYNUJOHEKB-UHFFFAOYSA-N -1 0 330.359 3.886 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)Nc1nc(C2CC2)cs1)c1ccccc1 ZINC000740538513 602463616 /nfs/dbraw/zinc/46/36/16/602463616.db2.gz FFBPFOSGXGZIIT-CYBMUJFWSA-N -1 0 345.424 3.748 20 0 EHADRM COc1ccc(NC(=O)c2ccc(F)c(NC(=O)[O-])c2)cc1Cl ZINC000739924482 602481335 /nfs/dbraw/zinc/48/13/35/602481335.db2.gz RBTFIZDWKTUJIK-UHFFFAOYSA-N -1 0 338.722 3.830 20 0 EHADRM C[C@H](NC(=O)c1ccc(F)c(NC(=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000739026493 602481496 /nfs/dbraw/zinc/48/14/96/602481496.db2.gz ZFMZJWWWJKZUJZ-QMMMGPOBSA-N -1 0 338.285 3.685 20 0 EHADRM CCCN(Cc1ccccc1)C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739358282 602481501 /nfs/dbraw/zinc/48/15/01/602481501.db2.gz BDQIYOJKZHOYPW-UHFFFAOYSA-N -1 0 330.359 3.968 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CCSc3ccccc32)ccc1F ZINC000740695244 602481974 /nfs/dbraw/zinc/48/19/74/602481974.db2.gz GNVNSKBWHGGJKE-UHFFFAOYSA-N -1 0 332.356 3.668 20 0 EHADRM O=C([O-])N1CCc2ccc(NC(=O)c3ccccc3Cl)cc2C1 ZINC000740464869 602487617 /nfs/dbraw/zinc/48/76/17/602487617.db2.gz BHNCJQBRGREMIQ-UHFFFAOYSA-N -1 0 330.771 3.628 20 0 EHADRM C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739051731 602502059 /nfs/dbraw/zinc/50/20/59/602502059.db2.gz AKCJWFDJKWFWPA-JTQLQIEISA-N -1 0 334.759 3.836 20 0 EHADRM Cn1c(Cl)c(Cl)cc1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000740278344 602502363 /nfs/dbraw/zinc/50/23/63/602502363.db2.gz QPGHPNOEBXRCEZ-UHFFFAOYSA-N -1 0 328.155 3.674 20 0 EHADRM Cc1cccc(OCCC(=O)Nc2ccc(NC(=O)[O-])cc2)c1C ZINC000740174792 602502374 /nfs/dbraw/zinc/50/23/74/602502374.db2.gz YMYOENLLVSFIIJ-UHFFFAOYSA-N -1 0 328.368 3.801 20 0 EHADRM CCn1cc(CC(=O)Nc2ccc(NC(=O)[O-])cc2)c2ccccc21 ZINC000739563171 602504399 /nfs/dbraw/zinc/50/43/99/602504399.db2.gz JGESIFRBWCBIKZ-UHFFFAOYSA-N -1 0 337.379 3.932 20 0 EHADRM CCOc1cccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])c1 ZINC000739505551 602509406 /nfs/dbraw/zinc/50/94/06/602509406.db2.gz UPYYSJSMGGTYHM-UHFFFAOYSA-N -1 0 340.379 3.768 20 0 EHADRM CCSc1ccccc1C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739521656 602516063 /nfs/dbraw/zinc/51/60/63/602516063.db2.gz RTENHXCTUNNJDD-UHFFFAOYSA-N -1 0 330.409 3.819 20 0 EHADRM CC(C)c1ccc(C(C)(C)NC(=O)C2CCC(NC(=O)[O-])CC2)cc1 ZINC000738876639 602519843 /nfs/dbraw/zinc/51/98/43/602519843.db2.gz JRNDGCAYZQHJGC-UHFFFAOYSA-N -1 0 346.471 3.988 20 0 EHADRM CN(C[C@@H]1CCN(Cc2csc(C3CCCCC3)n2)C1)C(=O)[O-] ZINC000739665877 602528966 /nfs/dbraw/zinc/52/89/66/602528966.db2.gz NIYOAHZMOBZYGK-ZDUSSCGKSA-N -1 0 337.489 3.623 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)Nc2ccnc(-c3ccccc3)c2)cc1 ZINC000740672888 602542865 /nfs/dbraw/zinc/54/28/65/602542865.db2.gz AVWDKRUMGBEKTB-UHFFFAOYSA-N -1 0 347.374 3.769 20 0 EHADRM COc1ccc(NC(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])cc1 ZINC000739921552 602554496 /nfs/dbraw/zinc/55/44/96/602554496.db2.gz NYKKRYGUKRENNE-UHFFFAOYSA-N -1 0 341.367 3.770 20 0 EHADRM Cc1cc(F)ccc1NC(=O)N1CCC[C@@H]([C@@H]2CCCN2C(=O)[O-])C1 ZINC000740076621 602582241 /nfs/dbraw/zinc/58/22/41/602582241.db2.gz AJNMLYKUSMLCAC-CJNGLKHVSA-N -1 0 349.406 3.520 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NCC2(c3ccc(F)cc3)CC2)cc1 ZINC000740710314 602601999 /nfs/dbraw/zinc/60/19/99/602601999.db2.gz OAXUXBULNXWMBY-UHFFFAOYSA-N -1 0 343.358 3.769 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)Nc2ccc(NC(=O)[O-])cc2)cc1F ZINC000739896236 602602410 /nfs/dbraw/zinc/60/24/10/602602410.db2.gz LEVWTXAMBUPNOL-SNVBAGLBSA-N -1 0 347.346 3.807 20 0 EHADRM CSc1ccc(CNC(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000740016784 602603639 /nfs/dbraw/zinc/60/36/39/602603639.db2.gz WAWRTUFUVUZRNK-UHFFFAOYSA-N -1 0 331.397 3.820 20 0 EHADRM CCN(Cc1ccoc1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739445321 602605177 /nfs/dbraw/zinc/60/51/77/602605177.db2.gz QTJAIAYHPCEKNO-UHFFFAOYSA-N -1 0 343.383 3.764 20 0 EHADRM CC(C)c1ccc([C@@H](C)NC(=O)N2CC[C@@H](CN(C)C(=O)[O-])C2)cc1 ZINC000738875402 602609969 /nfs/dbraw/zinc/60/99/69/602609969.db2.gz GKOGLSLMZJALIV-CABCVRRESA-N -1 0 347.459 3.512 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(NC(=O)[O-])cc2C(F)(F)F)c(C)[nH]1 ZINC000740058518 602643627 /nfs/dbraw/zinc/64/36/27/602643627.db2.gz LFTWKRRDXAZRNZ-UHFFFAOYSA-N -1 0 341.289 3.993 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cncs2)c(C(F)(F)F)c1 ZINC000740711653 602644184 /nfs/dbraw/zinc/64/41/84/602644184.db2.gz GYMIVKJXJUBIDV-UHFFFAOYSA-N -1 0 331.275 3.504 20 0 EHADRM Cc1ccc(C(=O)N2CCCc3cc(CNC(=O)[O-])ccc32)cc1C ZINC000740107537 602645808 /nfs/dbraw/zinc/64/58/08/602645808.db2.gz BBEIVNFNBWNXTC-UHFFFAOYSA-N -1 0 338.407 3.664 20 0 EHADRM CC[C@H](NC(=O)N1CCC([C@@H](C)NC(=O)[O-])CC1)c1ccc(C)cc1 ZINC000739264246 602692913 /nfs/dbraw/zinc/69/29/13/602692913.db2.gz RVYGUUHGIYYUPJ-PBHICJAKSA-N -1 0 347.459 3.524 20 0 EHADRM CC(C)c1ccc([C@H](C)NC(=O)c2csc(CNC(=O)[O-])n2)cc1 ZINC000738879498 602695477 /nfs/dbraw/zinc/69/54/77/602695477.db2.gz VVOVEEGGNXIPNO-NSHDSACASA-N -1 0 347.440 3.525 20 0 EHADRM O=C([O-])N1CC[C@@H](CCNC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000740431116 602720790 /nfs/dbraw/zinc/72/07/90/602720790.db2.gz UQCZVPWOEZHZTD-SECBINFHSA-N -1 0 346.214 3.505 20 0 EHADRM C[C@H](CCC1CCCCC1)OC(=O)c1csc(CNC(=O)[O-])n1 ZINC000738896750 602728520 /nfs/dbraw/zinc/72/85/20/602728520.db2.gz PPSIVJUFVKNSHU-LLVKDONJSA-N -1 0 340.445 3.817 20 0 EHADRM COc1ccccc1CC(C)(C)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738124912 602731827 /nfs/dbraw/zinc/73/18/27/602731827.db2.gz VHRDCWLUQJAHQQ-UHFFFAOYSA-N -1 0 342.395 3.993 20 0 EHADRM CSc1ccc(N(C)C(=O)Cc2ccc(NC(=O)[O-])cc2)cc1 ZINC000740019144 602732127 /nfs/dbraw/zinc/73/21/27/602732127.db2.gz JESPATQXIUIAKT-UHFFFAOYSA-N -1 0 330.409 3.704 20 0 EHADRM CC(C)(CCCc1ccccc1)C(=O)N1CCC(CNC(=O)[O-])CC1 ZINC000738746618 602733075 /nfs/dbraw/zinc/73/30/75/602733075.db2.gz JZQRJEZZJSPSOJ-UHFFFAOYSA-N -1 0 346.471 3.542 20 0 EHADRM CC(C)[C@@H](c1ccccc1)N(C)C(=O)C1CCC(NC(=O)[O-])CC1 ZINC000738800288 602735642 /nfs/dbraw/zinc/73/56/42/602735642.db2.gz MKVDOTQEDXZBQK-JCYILVPMSA-N -1 0 332.444 3.669 20 0 EHADRM Cc1nc(-c2ccccc2)sc1[C@H](C)OC(=O)CCCNC(=O)[O-] ZINC000738832419 602748765 /nfs/dbraw/zinc/74/87/65/602748765.db2.gz PXGYAIVQWFNREP-LBPRGKRZSA-N -1 0 348.424 3.771 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)N[C@H](CC2CC2)c2ccccc2)cc1 ZINC000740672997 602784260 /nfs/dbraw/zinc/78/42/60/602784260.db2.gz BHHDZPAWOMOGCJ-GOSISDBHSA-N -1 0 338.407 3.725 20 0 EHADRM C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CCC(C)(C)NC(=O)[O-] ZINC000739062143 602785870 /nfs/dbraw/zinc/78/58/70/602785870.db2.gz DBTKSAPRJUASQM-NSHDSACASA-N -1 0 349.456 3.642 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)C2(c3ccccc3)CCC2)c1 ZINC000740704402 602785928 /nfs/dbraw/zinc/78/59/28/602785928.db2.gz MPZXZLCAGYAWAR-UHFFFAOYSA-N -1 0 328.343 3.976 20 0 EHADRM CN(Cc1ccc2ccccc2c1)C(=O)CCC(C)(C)NC(=O)[O-] ZINC000739717438 602788250 /nfs/dbraw/zinc/78/82/50/602788250.db2.gz WTFLPTCLLFQKKK-UHFFFAOYSA-N -1 0 328.412 3.625 20 0 EHADRM CC(C)(CCC(=O)N1CCC[C@H]1c1ccc(Cl)cc1)NC(=O)[O-] ZINC000738738345 602788413 /nfs/dbraw/zinc/78/84/13/602788413.db2.gz DIYLSBNMJCFZAO-AWEZNQCLSA-N -1 0 338.835 3.830 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)CCC(C)(C)NC(=O)[O-] ZINC000739366113 602793620 /nfs/dbraw/zinc/79/36/20/602793620.db2.gz WESOSLOFHMYEPJ-UHFFFAOYSA-N -1 0 342.823 3.894 20 0 EHADRM C[C@H](C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2)c1cccs1 ZINC000738633439 602806341 /nfs/dbraw/zinc/80/63/41/602806341.db2.gz XWQUZWPOOMXZHW-NSHDSACASA-N -1 0 330.409 3.526 20 0 EHADRM CC(C)(NC(=O)c1ccc(CNC(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000738758110 602810445 /nfs/dbraw/zinc/81/04/45/602810445.db2.gz SBSKBORXXIYOPO-UHFFFAOYSA-N -1 0 346.814 3.773 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)c2ccc(F)c(NC(=O)[O-])c2)s1 ZINC000740120385 602814851 /nfs/dbraw/zinc/81/48/51/602814851.db2.gz HNTHSOIWXVWADT-VIFPVBQESA-N -1 0 336.388 3.647 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)Nc1ccc(NC(=O)[O-])cc1)C(C)C ZINC000738322812 602825288 /nfs/dbraw/zinc/82/52/88/602825288.db2.gz ZBPALRPRFVZGPW-OAHLLOKOSA-N -1 0 342.399 3.999 20 0 EHADRM Cc1cccc(C2(NC(=O)c3ccc(CNC(=O)[O-])o3)CCCC2)c1 ZINC000830491361 602832138 /nfs/dbraw/zinc/83/21/38/602832138.db2.gz BYEWYKRVBNNTLE-UHFFFAOYSA-N -1 0 342.395 3.555 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000740714584 602878281 /nfs/dbraw/zinc/87/82/81/602878281.db2.gz UFVPMQVNCLLAFB-NXEZZACHSA-N -1 0 332.306 3.797 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2c[nH]cc2-c2ccc(F)cc2)cn1 ZINC000740711050 602885447 /nfs/dbraw/zinc/88/54/47/602885447.db2.gz QIIBRDWXLIMOEB-UHFFFAOYSA-N -1 0 340.314 3.558 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)Nc2cccc(CNC(=O)[O-])c2)s1 ZINC000740123034 602900848 /nfs/dbraw/zinc/90/08/48/602900848.db2.gz YUIRYGGUYMIEGF-NSHDSACASA-N -1 0 347.440 3.577 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cccc(Cl)c2Cl)C[C@H](C)N1C(=O)[O-] ZINC000739149010 602939973 /nfs/dbraw/zinc/93/99/73/602939973.db2.gz YUUHNIUYUQBEGN-DTORHVGOSA-N -1 0 346.214 3.598 20 0 EHADRM C[C@@H](Oc1ccccc1NC(=O)C[C@H](C)NC(=O)[O-])c1ccccc1 ZINC000824703461 602944628 /nfs/dbraw/zinc/94/46/28/602944628.db2.gz LLVYJIJRZRQURV-UONOGXRCSA-N -1 0 342.395 3.811 20 0 EHADRM Cc1cc(F)cc2[nH]c(C(=O)Nc3ccccc3NC(=O)[O-])cc21 ZINC000740083579 602955904 /nfs/dbraw/zinc/95/59/04/602955904.db2.gz VLKYTNKCJYVUBA-UHFFFAOYSA-N -1 0 327.315 3.958 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)Cc2coc(-c3cccs3)n2)cc1 ZINC000738669407 602958083 /nfs/dbraw/zinc/95/80/83/602958083.db2.gz LDNUSAMRJBXVIH-UHFFFAOYSA-N -1 0 344.348 3.641 20 0 EHADRM C[C@@H](CC(=O)c1cccc(F)c1)C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000736562181 602963528 /nfs/dbraw/zinc/96/35/28/602963528.db2.gz LNFWITUBHKPXHB-NSHDSACASA-N -1 0 345.326 3.730 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)cc1 ZINC000738667704 602964141 /nfs/dbraw/zinc/96/41/41/602964141.db2.gz SCLKKCROWQPMNB-VXGBXAGGSA-N -1 0 333.290 3.764 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)c2cc(-c3cccs3)on2)cc1 ZINC000738668619 602967288 /nfs/dbraw/zinc/96/72/88/602967288.db2.gz DMFYGNAOGXECLB-UHFFFAOYSA-N -1 0 330.321 3.712 20 0 EHADRM CC(C)[C@H]1CCCCN1C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000738802943 602979745 /nfs/dbraw/zinc/97/97/45/602979745.db2.gz ZLTZEZKQLPHKQU-IAGOWNOFSA-N -1 0 332.444 3.813 20 0 EHADRM CC(C)(CC(=O)N[C@@H](Cc1ccccc1)c1cccs1)NC(=O)[O-] ZINC000738731333 603002933 /nfs/dbraw/zinc/00/29/33/603002933.db2.gz DPMBIPIVTWGAHF-AWEZNQCLSA-N -1 0 346.452 3.584 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000740574147 603009590 /nfs/dbraw/zinc/00/95/90/603009590.db2.gz ULVONIGOYGSQAG-IAGOWNOFSA-N -1 0 346.427 3.521 20 0 EHADRM CC(C)(CC(=O)Nc1ccc(Nc2ccccc2)cc1)NC(=O)[O-] ZINC000738733938 603017576 /nfs/dbraw/zinc/01/75/76/603017576.db2.gz APLLUGVNVGNKOH-UHFFFAOYSA-N -1 0 327.384 3.805 20 0 EHADRM Cc1cccc(F)c1CNC(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000830505668 603018278 /nfs/dbraw/zinc/01/82/78/603018278.db2.gz LMXIDAYIIUJJHH-KRWDZBQOSA-N -1 0 344.386 3.539 20 0 EHADRM C[C@@H](CN(C)C(=O)[O-])c1noc(-c2csc(-c3ccccc3)n2)n1 ZINC000738910601 603022419 /nfs/dbraw/zinc/02/24/19/603022419.db2.gz SYQFJLLFTCDJLK-JTQLQIEISA-N -1 0 344.396 3.573 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)NC[C@H](NC(=O)[O-])c1ccccc1 ZINC000740183359 603025087 /nfs/dbraw/zinc/02/50/87/603025087.db2.gz KEGLODFDKQKGAU-YJBOKZPZSA-N -1 0 340.423 3.614 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)Nc1cccc(NC2CCCC2)c1 ZINC000739241712 603027706 /nfs/dbraw/zinc/02/77/06/603027706.db2.gz VZESMRFAKSEJDS-BLLLJJGKSA-N -1 0 333.432 3.662 20 0 EHADRM Cc1ccc2cccc(C(=O)Nc3cccc(CNC(=O)[O-])c3)c2n1 ZINC000740155362 603029418 /nfs/dbraw/zinc/02/94/18/603029418.db2.gz VLYLVZPIYHSQPP-UHFFFAOYSA-N -1 0 335.363 3.563 20 0 EHADRM O=C([O-])N[C@@H](CNC(=O)Cc1ccc2ccccc2c1)c1ccccc1 ZINC000740538836 603029478 /nfs/dbraw/zinc/02/94/78/603029478.db2.gz RBGUKDZJQFVJNG-IBGZPJMESA-N -1 0 348.402 3.507 20 0 EHADRM C[C@H](CNC(=O)Nc1cc(NC(=O)[O-])ccc1F)c1ccc(F)cc1 ZINC000738918070 603032621 /nfs/dbraw/zinc/03/26/21/603032621.db2.gz GOUHGAQCFORRBM-SNVBAGLBSA-N -1 0 349.337 3.980 20 0 EHADRM CCOc1ccccc1NC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739510775 603037826 /nfs/dbraw/zinc/03/78/26/603037826.db2.gz XXOQWGPCPYMQNR-UHFFFAOYSA-N -1 0 333.319 3.958 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)N2CC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000740701638 603043124 /nfs/dbraw/zinc/04/31/24/603043124.db2.gz HKSNLXCKEPHYFA-MRXNPFEDSA-N -1 0 344.798 3.946 20 0 EHADRM O=C([O-])NCCCCCCC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000740648682 603043438 /nfs/dbraw/zinc/04/34/38/603043438.db2.gz UWUWPWHARPFQNG-OAHLLOKOSA-N -1 0 338.835 3.832 20 0 EHADRM COc1cccc([C@@H]2C[C@@H]2C(=O)Oc2ccc(N(C)C(=O)[O-])cc2)c1 ZINC000829550954 603046970 /nfs/dbraw/zinc/04/69/70/603046970.db2.gz VMKQQSBOSGHTQV-IRXDYDNUSA-N -1 0 341.363 3.519 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)cc1 ZINC000827898979 603047539 /nfs/dbraw/zinc/04/75/39/603047539.db2.gz BUOLMRGVEPQTMS-HIFRSBDPSA-N -1 0 347.317 3.788 20 0 EHADRM CCOc1c(F)cccc1C(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000827407928 603054301 /nfs/dbraw/zinc/05/43/01/603054301.db2.gz CIQAPDQCVYUYFW-UHFFFAOYSA-N -1 0 333.315 3.558 20 0 EHADRM Cc1cccc(CN(C)C(=O)c2cc3ccccc3cc2NC(=O)[O-])n1 ZINC000740171393 603056709 /nfs/dbraw/zinc/05/67/09/603056709.db2.gz RPKXVJGGAJPCCE-UHFFFAOYSA-N -1 0 349.390 3.905 20 0 EHADRM Cc1csc([C@@H]2CCCN(C(=O)c3ccc(NC(=O)[O-])cc3)C2)n1 ZINC000738336480 603073347 /nfs/dbraw/zinc/07/33/47/603073347.db2.gz HIWYMTQUSQWNEG-CYBMUJFWSA-N -1 0 345.424 3.561 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000739018419 603105075 /nfs/dbraw/zinc/10/50/75/603105075.db2.gz ZUWKIUDWFCOFPZ-LLVKDONJSA-N -1 0 347.802 3.719 20 0 EHADRM CC[C@H](NC(=O)CC1CCN(C(=O)[O-])CC1)c1ccc(Cl)s1 ZINC000739261920 603131629 /nfs/dbraw/zinc/13/16/29/603131629.db2.gz GKISDQCGXRHTHO-NSHDSACASA-N -1 0 344.864 3.749 20 0 EHADRM CC[C@@H]1CCCCCN1C(=O)Nc1ccc(OC)c(NC(=O)[O-])c1 ZINC000739266837 603136737 /nfs/dbraw/zinc/13/67/37/603136737.db2.gz INUZNMPZPHMFDC-CYBMUJFWSA-N -1 0 335.404 3.972 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)OCc1cc(Cl)ccn1)c1ccccc1 ZINC000740540284 603144439 /nfs/dbraw/zinc/14/44/39/603144439.db2.gz NSSHJOXLSFIXBM-HNNXBMFYSA-N -1 0 348.786 3.567 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@H](C(=O)Nc2ccc(-c3nccs3)cc2)C1 ZINC000740569064 603155455 /nfs/dbraw/zinc/15/54/55/603155455.db2.gz HERGRSUNZGIIOG-JSGCOSHPSA-N -1 0 345.424 3.575 20 0 EHADRM C[C@H](NC(=O)COc1ccc(NC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000737687282 603156593 /nfs/dbraw/zinc/15/65/93/603156593.db2.gz WWICVEDETPSRDY-NSHDSACASA-N -1 0 348.786 3.686 20 0 EHADRM CCc1ccccc1NC(=O)[C@@H](C)Oc1ccc(NC(=O)[O-])cc1 ZINC000827606079 603157342 /nfs/dbraw/zinc/15/73/42/603157342.db2.gz ZRCHAXPHHBHMTN-GFCCVEGCSA-N -1 0 328.368 3.745 20 0 EHADRM CN(Cc1cccc2ccccc21)C(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739714853 603164725 /nfs/dbraw/zinc/16/47/25/603164725.db2.gz YMKYXYZVMFTKAI-WBVHZDCISA-N -1 0 340.423 3.625 20 0 EHADRM CCc1cccc(OCC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)c1 ZINC000827600928 603172009 /nfs/dbraw/zinc/17/20/09/603172009.db2.gz TZIRULAMEINNHC-CYBMUJFWSA-N -1 0 342.395 3.595 20 0 EHADRM CCOc1ccc(NC(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)cc1Cl ZINC000739506584 603174342 /nfs/dbraw/zinc/17/43/42/603174342.db2.gz MIJKDWGXFVNSHS-WDEREUQCSA-N -1 0 340.807 3.504 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)Cc2cccc3cccnc32)cc1 ZINC000825423384 603178420 /nfs/dbraw/zinc/17/84/20/603178420.db2.gz PQBWQVSOWBKEQC-CYBMUJFWSA-N -1 0 349.390 3.745 20 0 EHADRM O=C([O-])NCCC(=O)Nc1ccccc1OCc1cccc(Cl)c1 ZINC000738654314 603180123 /nfs/dbraw/zinc/18/01/23/603180123.db2.gz BDYAZDYCYWCQSB-UHFFFAOYSA-N -1 0 348.786 3.515 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2cc(-c3ccco3)on2)cc1 ZINC000825442363 603188233 /nfs/dbraw/zinc/18/82/33/603188233.db2.gz DYLMHMCORIPNIR-JTQLQIEISA-N -1 0 341.323 3.516 20 0 EHADRM CC(C)(C)Oc1ccccc1NC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000738726302 603207484 /nfs/dbraw/zinc/20/74/84/603207484.db2.gz SWOLEOWSOKECAA-CHWSQXEVSA-N -1 0 334.416 3.629 20 0 EHADRM CC(C)(NC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1)c1cccc(Cl)c1 ZINC000738752863 603209888 /nfs/dbraw/zinc/20/98/88/603209888.db2.gz OMMUGICHMXIGJV-RISCZKNCSA-N -1 0 338.835 3.518 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)Nc2ccc(CC(F)(F)F)cc2)C1 ZINC000740568410 603217338 /nfs/dbraw/zinc/21/73/38/603217338.db2.gz FMCKHPUDIYIYAZ-WCQYABFASA-N -1 0 344.333 3.556 20 0 EHADRM CC[C@@](C)(NC(=O)c1ccc(NC(=O)[O-])cc1)c1nc(C)cs1 ZINC000736860944 603221583 /nfs/dbraw/zinc/22/15/83/603221583.db2.gz FHWYAODZAQJTAS-MRXNPFEDSA-N -1 0 333.413 3.597 20 0 EHADRM C[C@@H](NC(=O)C[C@H](C)NC(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000824605959 603234305 /nfs/dbraw/zinc/23/43/05/603234305.db2.gz MTRWJUDFIBDQTL-UONOGXRCSA-N -1 0 326.396 3.577 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=S)NCc2cccs2)cc1 ZINC000825448296 603238546 /nfs/dbraw/zinc/23/85/46/603238546.db2.gz CEDPWDFKYPWTBT-JTQLQIEISA-N -1 0 335.454 3.563 20 0 EHADRM CCN(Cc1cccs1)C(=O)[C@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000827192957 603242179 /nfs/dbraw/zinc/24/21/79/603242179.db2.gz FOBNSDVDSACCHZ-CZUORRHYSA-N -1 0 346.452 3.742 20 0 EHADRM Cc1ccc(SCCNC(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1 ZINC000830427483 603244682 /nfs/dbraw/zinc/24/46/82/603244682.db2.gz IWNLGOQLXHVSEZ-UHFFFAOYSA-N -1 0 344.436 3.915 20 0 EHADRM O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)Nc1cccc3ccccc31)C2 ZINC000831797825 603246031 /nfs/dbraw/zinc/24/60/31/603246031.db2.gz WGHMOYYYVOEVOV-GOOCMWNKSA-N -1 0 339.395 3.635 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NC2(c3ccccc3F)CC2)c(Cl)c1 ZINC000740697688 603253163 /nfs/dbraw/zinc/25/31/63/603253163.db2.gz HGOALNLZRSITIZ-UHFFFAOYSA-N -1 0 348.761 3.988 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2ccc(F)cc2OCC2CC2)c1 ZINC000740034592 603260038 /nfs/dbraw/zinc/26/00/38/603260038.db2.gz XLMZRLAFVOVHQM-UHFFFAOYSA-N -1 0 344.342 3.957 20 0 EHADRM CCOc1ccc([C@H](C)NC(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1 ZINC000827427406 603266298 /nfs/dbraw/zinc/26/62/98/603266298.db2.gz IGQVZWFHADQMCW-ZDUSSCGKSA-N -1 0 342.395 3.975 20 0 EHADRM Cc1ccc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1NC(=O)[O-] ZINC000830204537 603282728 /nfs/dbraw/zinc/28/27/28/603282728.db2.gz HBCWTFSTPBMDNF-NEPJUHHUSA-N -1 0 344.333 3.936 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)Nc2cccc(OC3CCCC3)c2)o1 ZINC000832705113 603293580 /nfs/dbraw/zinc/29/35/80/603293580.db2.gz FGFUTRBRHGKZLU-UHFFFAOYSA-N -1 0 344.367 3.621 20 0 EHADRM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736763801 603293878 /nfs/dbraw/zinc/29/38/78/603293878.db2.gz VOSULZFKNQFZSY-SWLSCSKDSA-N -1 0 342.370 3.934 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCCC[C@H]2c2ncc[nH]2)c(Cl)c1 ZINC000740698236 603293931 /nfs/dbraw/zinc/29/39/31/603293931.db2.gz ACBDQXYRDBNQLJ-ZDUSSCGKSA-N -1 0 348.790 3.520 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)c1 ZINC000740026805 603294571 /nfs/dbraw/zinc/29/45/71/603294571.db2.gz DRVZIKCQPYOLJR-CQSZACIVSA-N -1 0 342.370 3.620 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)o1 ZINC000832679221 603296756 /nfs/dbraw/zinc/29/67/56/603296756.db2.gz WPHPGJPFVSZDKO-AWEZNQCLSA-N -1 0 348.786 3.678 20 0 EHADRM Cc1cc(CNC(=O)[O-])ccc1N(C(=O)c1ccc(F)cc1)C1CC1 ZINC000740074952 603297091 /nfs/dbraw/zinc/29/70/91/603297091.db2.gz CNXHSPHWPCTECU-UHFFFAOYSA-N -1 0 342.370 3.711 20 0 EHADRM O=C([O-])N1CCCN(C(=O)Cc2c[nH]c3ccccc23)c2ccccc21 ZINC000740517239 603300814 /nfs/dbraw/zinc/30/08/14/603300814.db2.gz SZKCPHWZAKXIFR-UHFFFAOYSA-N -1 0 349.390 3.632 20 0 EHADRM Cc1cccc(O[C@@H](C)CNC(=O)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000830523058 603311519 /nfs/dbraw/zinc/31/15/19/603311519.db2.gz XRCDTAJAXYYQJM-ZDUSSCGKSA-N -1 0 343.383 3.674 20 0 EHADRM CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc(NC(=O)[O-])cc2)C12CCCC2 ZINC000827377842 603312706 /nfs/dbraw/zinc/31/27/06/603312706.db2.gz CETKOMMQNBWRNJ-HUUCEWRRSA-N -1 0 347.415 3.636 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)c1 ZINC000832724724 603321479 /nfs/dbraw/zinc/32/14/79/603321479.db2.gz LWSRWVITXUFZAC-IJEWVQPXSA-N -1 0 331.416 3.545 20 0 EHADRM CCc1ccc([C@H](C)NC(=O)Nc2cccc(CNC(=O)[O-])c2)cc1 ZINC000739544361 603321709 /nfs/dbraw/zinc/32/17/09/603321709.db2.gz STMHLLXZPOCEIN-ZDUSSCGKSA-N -1 0 341.411 3.899 20 0 EHADRM C[C@H](NC(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000738988809 603327851 /nfs/dbraw/zinc/32/78/51/603327851.db2.gz OXLLKPHBWMVCRL-JTQLQIEISA-N -1 0 349.337 3.615 20 0 EHADRM CC(C)[C@@H](NC(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccccc1 ZINC000738791025 603330305 /nfs/dbraw/zinc/33/03/05/603330305.db2.gz FGVHYZRFVSSLSD-QGZVFWFLSA-N -1 0 341.411 3.973 20 0 EHADRM CN(Cc1ccccc1NC(=O)NCCCc1ccccc1)C(=O)[O-] ZINC000739718576 603336558 /nfs/dbraw/zinc/33/65/58/603336558.db2.gz ROWKBHOIXVUVCM-UHFFFAOYSA-N -1 0 341.411 3.551 20 0 EHADRM O=C([O-])N1CCC[C@@H]1CC(=O)N1CCCCC[C@@H]1c1ccccc1 ZINC000832006691 603362729 /nfs/dbraw/zinc/36/27/29/603362729.db2.gz ULZUMPYKLBIYJN-IAGOWNOFSA-N -1 0 330.428 3.663 20 0 EHADRM Cc1ccc(CN(C)C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)cc1 ZINC000830303138 603365233 /nfs/dbraw/zinc/36/52/33/603365233.db2.gz VHJWFQKRTYGZQH-AWEZNQCLSA-N -1 0 341.411 3.988 20 0 EHADRM Cc1ccc(CNC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)cc1F ZINC000830316803 603373170 /nfs/dbraw/zinc/37/31/70/603373170.db2.gz GVDFEYACJUYLEA-LBPRGKRZSA-N -1 0 345.374 3.784 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N[C@@H](C)c2cccc(O)c2)cc1 ZINC000825426850 603382203 /nfs/dbraw/zinc/38/22/03/603382203.db2.gz LAQBQCZWPDCNEH-NEPJUHHUSA-N -1 0 343.383 3.604 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N2CC[C@H](c3ccco3)C2)cc1 ZINC000825426656 603385813 /nfs/dbraw/zinc/38/58/13/603385813.db2.gz IAGAUQWQJLHEOL-JSGCOSHPSA-N -1 0 343.383 3.630 20 0 EHADRM CCCCN(CC(F)(F)F)C(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000826829666 603390519 /nfs/dbraw/zinc/39/05/19/603390519.db2.gz GBEAZXNSHJRCTQ-UHFFFAOYSA-N -1 0 332.322 3.890 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCSC[C@@H]2c2ccccc2)cc1 ZINC000738662822 603398420 /nfs/dbraw/zinc/39/84/20/603398420.db2.gz WUFAOTZUXIQVJA-MRXNPFEDSA-N -1 0 342.420 3.707 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000832317571 603409850 /nfs/dbraw/zinc/40/98/50/603409850.db2.gz AIKSUCDSHLVLLJ-MWLCHTKSSA-N -1 0 341.289 3.659 20 0 EHADRM O=C([O-])N[C@H](Cc1nc(C2CCCCC2)no1)Cc1ccccc1 ZINC000832147128 603411950 /nfs/dbraw/zinc/41/19/50/603411950.db2.gz CYTVRZHUDFUKID-HNNXBMFYSA-N -1 0 329.400 3.539 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc([C@@H]2C[C@@]23CCc2ccccc23)n1 ZINC000824217612 603412738 /nfs/dbraw/zinc/41/27/38/603412738.db2.gz HCSNRMBGDRLVHI-YZVOILCLSA-N -1 0 341.411 3.796 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N1CCC[C@H](C)CC1 ZINC000829173552 603428674 /nfs/dbraw/zinc/42/86/74/603428674.db2.gz KUKHCVOMBYOSOV-JTQLQIEISA-N -1 0 340.807 3.701 20 0 EHADRM C[C@@H](OC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1)c1ccc(F)cc1Cl ZINC000829801938 603436321 /nfs/dbraw/zinc/43/63/21/603436321.db2.gz VOVLXQXDGVZICY-WCABBAIRSA-N -1 0 329.755 3.520 20 0 EHADRM CC(C)Cc1ccc(C(=O)N(C)C2CCC(NC(=O)[O-])CC2)cc1 ZINC000824311552 603468333 /nfs/dbraw/zinc/46/83/33/603468333.db2.gz OHCHXEGUTVGMQC-UHFFFAOYSA-N -1 0 332.444 3.536 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)[O-])cc1)c1nc(-c2ccccc2)no1 ZINC000736703689 603599258 /nfs/dbraw/zinc/59/92/58/603599258.db2.gz XLUFACYKAVTPLH-NSHDSACASA-N -1 0 325.324 3.967 20 0 EHADRM CSc1cccc(NC(=O)COc2cccc(NC(=O)[O-])c2)c1 ZINC000829772011 603633799 /nfs/dbraw/zinc/63/37/99/603633799.db2.gz LFHAIUFFUOIAOG-UHFFFAOYSA-N -1 0 332.381 3.516 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2cc(C3CCCCC3)[nH]n2)cc1 ZINC000832838332 603634012 /nfs/dbraw/zinc/63/40/12/603634012.db2.gz HHEHQXSKKBFIKD-UHFFFAOYSA-N -1 0 328.372 3.800 20 0 EHADRM CN(Cc1ccccc1NC(=O)C1(Cc2ccccc2)CC1)C(=O)[O-] ZINC000828392931 603737144 /nfs/dbraw/zinc/73/71/44/603737144.db2.gz GGROJYBWDSVNND-UHFFFAOYSA-N -1 0 338.407 3.758 20 0 EHADRM CC(C)[C@H](CCN(C)C(=S)Nc1ccccc1Cl)NC(=O)[O-] ZINC000824097740 603829912 /nfs/dbraw/zinc/82/99/12/603829912.db2.gz AHOOARSKAQWGHW-LBPRGKRZSA-N -1 0 343.880 3.651 20 0 EHADRM C[C@@H](C(=O)Nc1cccc2c1CCN2C(=O)[O-])c1ccccc1F ZINC000823722245 603947481 /nfs/dbraw/zinc/94/74/81/603947481.db2.gz CMMKWVHKGBMTGQ-LLVKDONJSA-N -1 0 328.343 3.608 20 0 EHADRM CC(C)Oc1ccccc1C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000824425587 603951915 /nfs/dbraw/zinc/95/19/15/603951915.db2.gz SALONSZKSKRPMK-UHFFFAOYSA-N -1 0 340.379 3.767 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000831793978 603957991 /nfs/dbraw/zinc/95/79/91/603957991.db2.gz SZLHDIVLKNEIBG-LSDHHAIUSA-N -1 0 340.354 3.608 20 0 EHADRM O=C([O-])N[C@H]1CC[C@H](C(=O)N(Cc2ccsc2)c2ccccc2)C1 ZINC000832248340 603966475 /nfs/dbraw/zinc/96/64/75/603966475.db2.gz WQFAWMSNLBSZMZ-GJZGRUSLSA-N -1 0 344.436 3.718 20 0 EHADRM CC(C)(NC(=O)Nc1cccc2c1CCN2C(=O)[O-])c1ccccc1 ZINC000824020718 603988768 /nfs/dbraw/zinc/98/87/68/603988768.db2.gz WOOKRLYQVBLABH-UHFFFAOYSA-N -1 0 339.395 3.784 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)O[C@H]1C=CCCC1 ZINC000829191343 603996779 /nfs/dbraw/zinc/99/67/79/603996779.db2.gz FMEHCTRZIDUKPW-VIFPVBQESA-N -1 0 325.748 3.704 20 0 EHADRM CC(C)C[C@H](NC(=O)N(C)C1CCN(C(=O)[O-])CC1)c1ccccc1 ZINC000824204223 604021200 /nfs/dbraw/zinc/02/12/00/604021200.db2.gz PBIQCYODGVHRHU-KRWDZBQOSA-N -1 0 347.459 3.558 20 0 EHADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)Nc2cccc3ccccc32)C1 ZINC000825235085 604061224 /nfs/dbraw/zinc/06/12/24/604061224.db2.gz BYBRHNUBVWYCDJ-UKRRQHHQSA-N -1 0 341.411 3.740 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000830329190 604066214 /nfs/dbraw/zinc/06/62/14/604066214.db2.gz OPMHMINAQAFMCZ-VXGBXAGGSA-N -1 0 339.823 3.548 20 0 EHADRM CSc1cccc(NC(=O)N(C)CC[C@H](NC(=O)[O-])C(C)C)c1 ZINC000829772206 604120080 /nfs/dbraw/zinc/12/00/80/604120080.db2.gz PVZGCMMLVPAVPE-AWEZNQCLSA-N -1 0 339.461 3.555 20 0 EHADRM CN(C(=O)Nc1cccc(Cl)c1F)C1CCC(NC(=O)[O-])CC1 ZINC000827809329 604121290 /nfs/dbraw/zinc/12/12/90/604121290.db2.gz FAZSGLHSNCJLOI-UHFFFAOYSA-N -1 0 343.786 3.522 20 0 EHADRM CN(C(=O)Nc1ccc(Cl)c(F)c1)C1CCC(NC(=O)[O-])CC1 ZINC000827807091 604127520 /nfs/dbraw/zinc/12/75/20/604127520.db2.gz SYVSGLSZKFHEGX-UHFFFAOYSA-N -1 0 343.786 3.522 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NCc2noc(-c3cccs3)n2)cc1 ZINC000825449026 604130217 /nfs/dbraw/zinc/13/02/17/604130217.db2.gz JVRRKVQCYNGSDN-JTQLQIEISA-N -1 0 344.396 3.739 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N[C@H]2CCCc3[nH]ccc32)cc1 ZINC000825427007 604147357 /nfs/dbraw/zinc/14/73/57/604147357.db2.gz NLDOUKZECXNIGK-BZNIZROVSA-N -1 0 342.399 3.542 20 0 EHADRM Cc1nc2ccccc2nc1CNc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000830793036 604219909 /nfs/dbraw/zinc/21/99/09/604219909.db2.gz KXOJWGUDVVQKTD-LBPRGKRZSA-N -1 0 336.395 3.879 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000829845724 604244899 /nfs/dbraw/zinc/24/48/99/604244899.db2.gz TVTLNKRNCNGLLQ-KBPBESRZSA-N -1 0 344.411 3.558 20 0 EHADRM CCCN(Cc1ccc(C)cc1)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000829496759 604274010 /nfs/dbraw/zinc/27/40/10/604274010.db2.gz PEWKIAHTKVYTFS-UHFFFAOYSA-N -1 0 329.371 3.885 20 0 EHADRM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)c2ccc(-c3ccco3)s2)C1 ZINC000825242920 604293874 /nfs/dbraw/zinc/29/38/74/604293874.db2.gz BDOMFBSMJTXKBB-RYUDHWBXSA-N -1 0 348.424 3.516 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCC[C@@H]2Cc2ccccc2)cc1F ZINC000833309756 604301296 /nfs/dbraw/zinc/30/12/96/604301296.db2.gz LIWZRCHBCJNJBX-MRXNPFEDSA-N -1 0 341.382 3.761 20 0 EHADRM Cc1ccc(NC(=O)NCc2ccc([C@H](C)NC(=O)[O-])cc2)s1 ZINC000830390094 604309350 /nfs/dbraw/zinc/30/93/50/604309350.db2.gz GFSFOTFKATZZQB-NSHDSACASA-N -1 0 333.413 3.707 20 0 EHADRM CC[C@@H](c1ccncc1)N(CC)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000829033025 604320266 /nfs/dbraw/zinc/32/02/66/604320266.db2.gz HBAAADNITRYYTE-INIZCTEOSA-N -1 0 330.359 3.532 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000320403132 604320449 /nfs/dbraw/zinc/32/04/49/604320449.db2.gz CRNCORNPDWKDGE-JTQLQIEISA-N -1 0 333.775 3.658 20 0 EHADRM CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000829055297 604325295 /nfs/dbraw/zinc/32/52/95/604325295.db2.gz FWPVPXXOBURMRB-HUUCEWRRSA-N -1 0 349.431 3.834 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)C2CCC(C)(C)CC2)c1OC ZINC000831892827 604326178 /nfs/dbraw/zinc/32/61/78/604326178.db2.gz YOPGIGSRYMQFOD-UHFFFAOYSA-N -1 0 335.400 3.557 20 0 EHADRM C[C@H](CC(=O)NC(C)(C)c1cccs1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824605883 604357467 /nfs/dbraw/zinc/35/74/67/604357467.db2.gz LOICWWNRKZYOMA-CHWSQXEVSA-N -1 0 338.473 3.516 20 0 EHADRM Cc1nc([C@H](C)N2CC[C@@H](NC(=O)[O-])C2)oc1-c1ccc(Cl)cc1 ZINC000830709841 604369283 /nfs/dbraw/zinc/36/92/83/604369283.db2.gz UDBZSHPNFYNJDX-SMDDNHRTSA-N -1 0 349.818 3.706 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(C)c(NC(=O)[O-])c2)n1 ZINC000830493897 604369700 /nfs/dbraw/zinc/36/97/00/604369700.db2.gz VGWJPZXDFBMYPO-KRWDZBQOSA-N -1 0 339.395 3.766 20 0 EHADRM Cc1ccc(CC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1 ZINC000832927862 604374384 /nfs/dbraw/zinc/37/43/84/604374384.db2.gz CQLQCHVCRPBEOF-SFHVURJKSA-N -1 0 325.408 3.506 20 0 EHADRM Cc1sc(NC(=O)Cc2cc(F)c(F)cc2F)c(C(=O)[O-])c1C ZINC000833035981 604375522 /nfs/dbraw/zinc/37/55/22/604375522.db2.gz GFFQJSSDXGXKOU-UHFFFAOYSA-N -1 0 343.326 3.662 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1cncc2ccccc21)c1ccccc1 ZINC000826106231 604378663 /nfs/dbraw/zinc/37/86/63/604378663.db2.gz VPKMQAWTJYJKJA-SFHVURJKSA-N -1 0 348.402 3.817 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)CCc1ccccc1F)c1ccccc1 ZINC000826088811 604380774 /nfs/dbraw/zinc/38/07/74/604380774.db2.gz BYIBOPXLXGRQSQ-SFHVURJKSA-N -1 0 343.398 3.727 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1cc2ccccc2[nH]1)c1ccccc1 ZINC000826103553 604385522 /nfs/dbraw/zinc/38/55/22/604385522.db2.gz SNEBSLAQVKETLT-QGZVFWFLSA-N -1 0 336.391 3.750 20 0 EHADRM Cc1cccc(CCC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])c1 ZINC000832968007 604389268 /nfs/dbraw/zinc/38/92/68/604389268.db2.gz PLNTYGCBJUBIIY-LJQANCHMSA-N -1 0 339.435 3.896 20 0 EHADRM O=C([O-])CCN(C(=O)c1ccc(F)c(Cl)c1)c1cccc(F)c1 ZINC000833231730 604391091 /nfs/dbraw/zinc/39/10/91/604391091.db2.gz LSNCALFNJAGIBR-UHFFFAOYSA-N -1 0 339.725 3.740 20 0 EHADRM Cc1cc(Cl)ncc1NC(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832887003 604408038 /nfs/dbraw/zinc/40/80/38/604408038.db2.gz QGVCRFHQCORFPJ-NHYWBVRUSA-N -1 0 347.802 3.627 20 0 EHADRM COc1cccc(C[C@@H](OC(=O)[C@@H](C)CC(=O)[O-])c2ccccc2)c1 ZINC000832546012 604415134 /nfs/dbraw/zinc/41/51/34/604415134.db2.gz RWXYKXALFDDZCZ-KBXCAEBGSA-N -1 0 342.391 3.633 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccc(OC)cc1F ZINC000829026574 604429418 /nfs/dbraw/zinc/42/94/18/604429418.db2.gz JNQKYTVUVQMRFW-KRWDZBQOSA-N -1 0 345.370 3.512 20 0 EHADRM COc1ccccc1-c1nc(CN(C)C2(C(=O)[O-])CCCC2)cs1 ZINC000565845240 604456095 /nfs/dbraw/zinc/45/60/95/604456095.db2.gz RBHSLVFUYQNPFB-UHFFFAOYSA-N -1 0 346.452 3.648 20 0 EHADRM CC(C)(C)SCCCC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000833446466 604462096 /nfs/dbraw/zinc/46/20/96/604462096.db2.gz CRUXTTINJIGOAJ-UHFFFAOYSA-N -1 0 338.473 3.747 20 0 EHADRM CC(C)Cc1ccc(CCCC(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000833494587 604465519 /nfs/dbraw/zinc/46/55/19/604465519.db2.gz TYDVRFNTLODXDB-HXUWFJFHSA-N -1 0 331.456 3.531 20 0 EHADRM CC(C)Cc1ccc(CCCC(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000833494584 604465882 /nfs/dbraw/zinc/46/58/82/604465882.db2.gz TYDVRFNTLODXDB-FQEVSTJZSA-N -1 0 331.456 3.531 20 0 EHADRM O=C([O-])C[C@H]1CCCN1c1ncnc2sc(-c3ccccc3)cc21 ZINC000833213618 604470472 /nfs/dbraw/zinc/47/04/72/604470472.db2.gz XQHFCRQFPPUNEJ-CYBMUJFWSA-N -1 0 339.420 3.802 20 0 EHADRM CC1(C)C[C@H](NC(=O)Nc2cc(C(=O)[O-])cs2)c2ccccc2O1 ZINC000828055323 604494102 /nfs/dbraw/zinc/49/41/02/604494102.db2.gz BBNPHSPWHLNFQT-LBPRGKRZSA-N -1 0 346.408 3.870 20 0 EHADRM C[C@@H]1CN(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C(C)(C)C1 ZINC000828347917 604519473 /nfs/dbraw/zinc/51/94/73/604519473.db2.gz GUOSSVFBJISMBH-DZGCQCFKSA-N -1 0 332.444 3.669 20 0 EHADRM CCc1ccc([C@@H]2CCCN2C(=O)Nc2cc(C(=O)[O-])cs2)o1 ZINC000830238890 604523762 /nfs/dbraw/zinc/52/37/62/604523762.db2.gz UCDDEFGPFSKBIM-LBPRGKRZSA-N -1 0 334.397 3.971 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)N1CCC[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000826096541 604524614 /nfs/dbraw/zinc/52/46/14/604524614.db2.gz WYCRBWIOTJWNOA-BHYGNILZSA-N -1 0 344.455 3.813 20 0 EHADRM Cc1ccc(F)cc1NC(=O)NCc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000830333486 604525762 /nfs/dbraw/zinc/52/57/62/604525762.db2.gz XWFKXDMLQOVJSA-GFCCVEGCSA-N -1 0 345.374 3.784 20 0 EHADRM Cc1cncc(/C=C/C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)c1 ZINC000832986747 604536410 /nfs/dbraw/zinc/53/64/10/604536410.db2.gz NEDADCUKPZQYGU-VOTSOKGWSA-N -1 0 342.420 3.680 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000648042954 604548170 /nfs/dbraw/zinc/54/81/70/604548170.db2.gz AAEITQPHHNOZJW-UHFFFAOYSA-N -1 0 345.370 3.993 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)cn1 ZINC000827117928 604551436 /nfs/dbraw/zinc/55/14/36/604551436.db2.gz MPRJYSPOEOFOJT-UHFFFAOYSA-N -1 0 342.395 3.701 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)cn1 ZINC000827117764 604556457 /nfs/dbraw/zinc/55/64/57/604556457.db2.gz JJZQIDIJBPLSOX-UHFFFAOYSA-N -1 0 347.440 3.910 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)[C@H](C)Oc2ccc(C)cc2)oc1C(=O)[O-] ZINC000832953104 604559453 /nfs/dbraw/zinc/55/94/53/604559453.db2.gz MIZKODUMRIXFIY-OLZOCXBDSA-N -1 0 332.352 3.666 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccc(F)cc2OC2CCCC2)C1 ZINC000683339510 604563273 /nfs/dbraw/zinc/56/32/73/604563273.db2.gz PVBSNEUDWWQWQP-QWHCGFSZSA-N -1 0 349.402 3.977 20 0 EHADRM C/C(=C\c1ccccc1Cl)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000761951764 604563695 /nfs/dbraw/zinc/56/36/95/604563695.db2.gz YMAGAJNYQHWHIW-OUKQBFOZSA-N -1 0 335.831 3.847 20 0 EHADRM C/C(=C/c1ccccc1Cl)C(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC000761864826 604565295 /nfs/dbraw/zinc/56/52/95/604565295.db2.gz IKAHPEZCUMNMGY-BLIJAFNYSA-N -1 0 347.773 3.825 20 0 EHADRM Cc1cc([C@H](C)OC(=O)C2(c3ccccc3C)CC2)oc1C(=O)[O-] ZINC000832981239 604580463 /nfs/dbraw/zinc/58/04/63/604580463.db2.gz DERCETJZAGSDOT-ZDUSSCGKSA-N -1 0 328.364 3.931 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)CC1CCC(c2ccccc2)CC1 ZINC000262833832 604580853 /nfs/dbraw/zinc/58/08/53/604580853.db2.gz BNYDZUHYFVSERL-VMWRSERWSA-N -1 0 329.440 3.816 20 0 EHADRM Cc1ccc2c(Cl)c(C(=O)N3CCC[C@H]3CC(=O)[O-])sc2c1 ZINC000832961908 604585455 /nfs/dbraw/zinc/58/54/55/604585455.db2.gz NVUCVUBGPQPIKM-JTQLQIEISA-N -1 0 337.828 3.942 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2cc(Cl)nc(Cl)c2)oc1C(=O)[O-] ZINC000832877399 604586271 /nfs/dbraw/zinc/58/62/71/604586271.db2.gz YHNBCAIURFVOAO-SSDOTTSWSA-N -1 0 344.150 3.906 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)[C@@H](C)COc2ccccc2)oc1C(=O)[O-] ZINC000832874244 604600245 /nfs/dbraw/zinc/60/02/45/604600245.db2.gz JSGSRXBZPAVUFY-QWHCGFSZSA-N -1 0 332.352 3.606 20 0 EHADRM CC1(C)CCC[C@H]1NC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833560444 604602203 /nfs/dbraw/zinc/60/22/03/604602203.db2.gz FKPGHMCECSBWCE-CQSZACIVSA-N -1 0 336.457 3.954 20 0 EHADRM CCCN(CC1CC1)C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833651187 604603318 /nfs/dbraw/zinc/60/33/18/604603318.db2.gz SNTAZWNOCCGJJC-UHFFFAOYSA-N -1 0 336.457 3.907 20 0 EHADRM CS[C@@H]1CCCCN(C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)C1 ZINC000832747713 604623495 /nfs/dbraw/zinc/62/34/95/604623495.db2.gz JEXCNCDMPRBOLL-CQSZACIVSA-N -1 0 337.445 3.550 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000326720562 604624824 /nfs/dbraw/zinc/62/48/24/604624824.db2.gz YVLKKENRYBLCED-HNNXBMFYSA-N -1 0 340.379 3.950 20 0 EHADRM CC1(C)C[C@H](NC(=O)CCCCCCNC(=O)[O-])c2ccccc2O1 ZINC000825706087 604638237 /nfs/dbraw/zinc/63/82/37/604638237.db2.gz DSBRUGUWGRAHSQ-HNNXBMFYSA-N -1 0 348.443 3.623 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1cccc(-c2c(F)cccc2F)c1 ZINC000833496866 604638985 /nfs/dbraw/zinc/63/89/85/604638985.db2.gz JWJVXTRWIPDBPD-UHFFFAOYSA-N -1 0 347.361 3.957 20 0 EHADRM COc1cc(NCc2cc3ccccc3o2)c(C(=O)[O-])cc1OC ZINC000832025648 604641516 /nfs/dbraw/zinc/64/15/16/604641516.db2.gz AESQEEUHRNYIRP-UHFFFAOYSA-N -1 0 327.336 3.760 20 0 EHADRM CCCOc1cccc(CC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000829537783 604642203 /nfs/dbraw/zinc/64/22/03/604642203.db2.gz HYMCNPHGOXFBKV-UHFFFAOYSA-N -1 0 349.333 3.633 20 0 EHADRM CCC(CC)n1ccc(C(=O)N(CC)c2ccccc2C(=O)[O-])n1 ZINC000828870584 604658021 /nfs/dbraw/zinc/65/80/21/604658021.db2.gz RMNAHWVEGCNFMS-UHFFFAOYSA-N -1 0 329.400 3.609 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)/C=C\c2ccnc(Cl)c2)cc1 ZINC000833417939 604660839 /nfs/dbraw/zinc/66/08/39/604660839.db2.gz CQUZHQZMBHLDNG-BAQGIRSFSA-N -1 0 344.798 3.749 20 0 EHADRM C[C@H](C(=O)O[C@H](C1CC1)C(F)(F)F)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823731741 604661289 /nfs/dbraw/zinc/66/12/89/604661289.db2.gz PNIMCGZVIDOBKO-TVYUQYBPSA-N -1 0 345.317 3.516 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NCc2cccc3nsnc32)cc1 ZINC000825449805 604661579 /nfs/dbraw/zinc/66/15/79/604661579.db2.gz ZVBUVQYSYWPHCD-JTQLQIEISA-N -1 0 328.397 3.632 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)Cc1ccc(F)cc1Cl ZINC000833233515 604665329 /nfs/dbraw/zinc/66/53/29/604665329.db2.gz FEONUVCIDJIRDX-UHFFFAOYSA-N -1 0 349.789 3.525 20 0 EHADRM Cc1cc(F)cc(NC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000832888409 604667236 /nfs/dbraw/zinc/66/72/36/604667236.db2.gz SIUZKXJBMCFOGP-OAHLLOKOSA-N -1 0 334.322 3.611 20 0 EHADRM Cc1ccc(F)c(CN(C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c1 ZINC000833749351 604675963 /nfs/dbraw/zinc/67/59/63/604675963.db2.gz GZVFTJSVIUFUDY-INIZCTEOSA-N -1 0 341.304 3.809 20 0 EHADRM O=C([O-])Nc1ccc(-c2nc(COc3ccc(F)cc3)no2)cc1 ZINC000832829179 604689025 /nfs/dbraw/zinc/68/90/25/604689025.db2.gz OWZZBGZCESWWNX-UHFFFAOYSA-N -1 0 329.287 3.545 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000833209396 604690307 /nfs/dbraw/zinc/69/03/07/604690307.db2.gz DKMFSCOSGALLMB-RDTXWAMCSA-N -1 0 348.418 3.706 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000532876259 604705391 /nfs/dbraw/zinc/70/53/91/604705391.db2.gz PONXWPONPCOEBP-UHFFFAOYSA-N -1 0 341.260 3.724 20 0 EHADRM Cc1cc([C@@H](C)Sc2nnc(-c3cccs3)n2C)oc1C(=O)[O-] ZINC000832873048 604710315 /nfs/dbraw/zinc/71/03/15/604710315.db2.gz FCLVAATZCKQQOZ-SECBINFHSA-N -1 0 349.437 3.997 20 0 EHADRM Cc1cc([C@@H](C)Sc2nnc(N3CCCC3)s2)oc1C(=O)[O-] ZINC000832876304 604714661 /nfs/dbraw/zinc/71/46/61/604714661.db2.gz XCKKXQVVCLWDRT-SECBINFHSA-N -1 0 339.442 3.591 20 0 EHADRM CC(C)N(Cc1cccs1)C(=O)CCc1ccccc1C(=O)[O-] ZINC000262069273 604720480 /nfs/dbraw/zinc/72/04/80/604720480.db2.gz ACHPHMNJDAFHNB-UHFFFAOYSA-N -1 0 331.437 3.816 20 0 EHADRM CCC(=O)Nc1cc(C(=O)[O-])ccc1Sc1ccc(Cl)cn1 ZINC000828570682 604730588 /nfs/dbraw/zinc/73/05/88/604730588.db2.gz QXIIQSJYKVSUQQ-UHFFFAOYSA-N -1 0 336.800 3.933 20 0 EHADRM Cc1cc(F)cc(NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])c1 ZINC000832888452 604733258 /nfs/dbraw/zinc/73/32/58/604733258.db2.gz TVPGHQZBABNTAL-LLVKDONJSA-N -1 0 333.384 3.952 20 0 EHADRM CC[C@@H](CC(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccc(C)cc1 ZINC000828770525 604736455 /nfs/dbraw/zinc/73/64/55/604736455.db2.gz QQYZVLDRJDDTHZ-ZDUSSCGKSA-N -1 0 346.452 3.991 20 0 EHADRM CC1(C)CC[C@H](CNC(=O)C2CCC(C(=O)[O-])CC2)c2ccccc21 ZINC000192986224 604742642 /nfs/dbraw/zinc/74/26/42/604742642.db2.gz NUXJSXRDTHBXRE-UYSNPLJNSA-N -1 0 343.467 3.849 20 0 EHADRM C[C@@H](SCc1ccc(C(=O)[O-])cc1F)C(=O)N(C)c1ccccc1 ZINC000833543527 604752150 /nfs/dbraw/zinc/75/21/50/604752150.db2.gz UPZPKFZJWBIULA-GFCCVEGCSA-N -1 0 347.411 3.809 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000262774279 604775384 /nfs/dbraw/zinc/77/53/84/604775384.db2.gz HXKIYDLHXOWZMF-OAHLLOKOSA-N -1 0 343.345 3.555 20 0 EHADRM CN(C(=O)[O-])c1ccc(NCc2nccn2Cc2ccccc2)cc1 ZINC000833686024 604775907 /nfs/dbraw/zinc/77/59/07/604775907.db2.gz VLNYDYDCUQUVNX-UHFFFAOYSA-N -1 0 336.395 3.658 20 0 EHADRM O=C([O-])c1occc1CNc1ccccc1OC[C@H]1CCCCO1 ZINC000833785009 604778427 /nfs/dbraw/zinc/77/84/27/604778427.db2.gz AMVUDBIOFOHSKU-CQSZACIVSA-N -1 0 331.368 3.538 20 0 EHADRM CCC[C@H](C)CC(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000829207602 604780027 /nfs/dbraw/zinc/78/00/27/604780027.db2.gz BPGNDSNWTNAWHR-AWEZNQCLSA-N -1 0 332.444 3.614 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2CCSc3c(F)cccc32)cc1F ZINC000833131355 604806192 /nfs/dbraw/zinc/80/61/92/604806192.db2.gz YENCPJQZZXHMLY-AWEZNQCLSA-N -1 0 349.358 3.630 20 0 EHADRM C[C@H](CC(=O)Nc1cccc2[nH]ccc21)C1CCN(C(=O)[O-])CC1 ZINC000824703893 604810391 /nfs/dbraw/zinc/81/03/91/604810391.db2.gz UGCJOLZKKIBWJD-GFCCVEGCSA-N -1 0 329.400 3.523 20 0 EHADRM C[C@@]1(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)CCCc2ccccc21 ZINC000561349203 604810940 /nfs/dbraw/zinc/81/09/40/604810940.db2.gz SDONDLYDIOYOMQ-JOCHJYFZSA-N -1 0 349.430 3.564 20 0 EHADRM CCCOc1ccc([C@H](C)NC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000829528332 604816195 /nfs/dbraw/zinc/81/61/95/604816195.db2.gz VBAKWNGDHOACSA-LBPRGKRZSA-N -1 0 345.370 3.804 20 0 EHADRM CC(C)(C)SCC(=O)Oc1cc(Br)cc(C(=O)[O-])c1 ZINC000833447043 604819711 /nfs/dbraw/zinc/81/97/11/604819711.db2.gz MGPSGNIRBZACFE-UHFFFAOYSA-N -1 0 347.230 3.584 20 0 EHADRM CCN(Cc1ccccc1NC(=O)CC1CCSCC1)C(=O)[O-] ZINC000827181844 604834355 /nfs/dbraw/zinc/83/43/55/604834355.db2.gz ATGHNULIRLQXSA-UHFFFAOYSA-N -1 0 336.457 3.658 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CCC(=O)N(C)C2(C(=O)[O-])CCCCC2)o1 ZINC000326575829 604868774 /nfs/dbraw/zinc/86/87/74/604868774.db2.gz HLUXIKVODGDBGK-ZFWWWQNUSA-N -1 0 333.428 3.582 20 0 EHADRM Cc1ccc(-c2nc(Cn3cc(C(=O)[O-])nc3C3CC3)cs2)o1 ZINC000833746868 604869601 /nfs/dbraw/zinc/86/96/01/604869601.db2.gz STGFLGRRHRXOOP-UHFFFAOYSA-N -1 0 329.381 3.532 20 0 EHADRM C/C(=C\C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1)C(C)(C)C ZINC000776688209 604870237 /nfs/dbraw/zinc/87/02/37/604870237.db2.gz MWXPJPMYBCMJQB-KGXGESDWSA-N -1 0 327.783 3.713 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000325410492 604870637 /nfs/dbraw/zinc/87/06/37/604870637.db2.gz DILCSWGUPCAVEZ-GFCCVEGCSA-N -1 0 340.345 3.904 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)N(C)C2(C(=O)[O-])CCCCC2)c1C(C)C ZINC000431978465 604873693 /nfs/dbraw/zinc/87/36/93/604873693.db2.gz XTFUFHNWBLUJQV-UHFFFAOYSA-N -1 0 348.443 3.509 20 0 EHADRM Cc1cc(F)ccc1C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC000832889746 604884752 /nfs/dbraw/zinc/88/47/52/604884752.db2.gz NSKMTHKKLUFNIY-UHFFFAOYSA-N -1 0 336.388 3.839 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000387553806 604885381 /nfs/dbraw/zinc/88/53/81/604885381.db2.gz CYAZUBPBXJTKTE-JTQLQIEISA-N -1 0 344.238 3.956 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000325493296 604885487 /nfs/dbraw/zinc/88/54/87/604885487.db2.gz YVWFBHRWDYRSCA-CYBMUJFWSA-N -1 0 343.345 3.668 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cc(F)c(Cl)cc2F)C1 ZINC000322155254 604888103 /nfs/dbraw/zinc/88/81/03/604888103.db2.gz LSFUNXMEVXDZLD-VIFPVBQESA-N -1 0 345.773 3.581 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000325370624 604888184 /nfs/dbraw/zinc/88/81/84/604888184.db2.gz PHLPQTWDUPSCIK-FRRDWIJNSA-N -1 0 349.393 3.705 20 0 EHADRM C[C@]1(NC(=O)Cc2ccc3ccccc3c2)CCCC[C@@H]1C(=O)[O-] ZINC000262807611 604889726 /nfs/dbraw/zinc/88/97/26/604889726.db2.gz OMONYIOOYKDREW-XLIONFOSSA-N -1 0 325.408 3.532 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000679105397 604890481 /nfs/dbraw/zinc/89/04/81/604890481.db2.gz OBFPREAXRYCERC-MRXNPFEDSA-N -1 0 331.456 3.605 20 0 EHADRM C[C@@]1(NC(=O)c2cc(Cl)ccc2Cl)CCCC[C@@H]1C(=O)[O-] ZINC000262782479 604891356 /nfs/dbraw/zinc/89/13/56/604891356.db2.gz MGJLIAMKYWKQJC-IAQYHMDHSA-N -1 0 330.211 3.757 20 0 EHADRM C[C@]1(NC(=O)c2cc(Cl)ccc2Cl)CCCC[C@H]1C(=O)[O-] ZINC000262782480 604891649 /nfs/dbraw/zinc/89/16/49/604891649.db2.gz MGJLIAMKYWKQJC-NHYWBVRUSA-N -1 0 330.211 3.757 20 0 EHADRM CC(C)[C@@H](C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccc(F)cc1 ZINC000833464734 604893914 /nfs/dbraw/zinc/89/39/14/604893914.db2.gz CTPJJQASVOCEBX-NVXWUHKLSA-N -1 0 349.446 3.915 20 0 EHADRM Cc1ccc(NC(=O)N2Cc3ccccc3C(F)(F)C2)cc1C(=O)[O-] ZINC000832947361 604897924 /nfs/dbraw/zinc/89/79/24/604897924.db2.gz WBUAMFKSGRZQPK-UHFFFAOYSA-N -1 0 346.333 3.833 20 0 EHADRM CCC(=O)c1cccc(NC(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])c1 ZINC000828580742 604906549 /nfs/dbraw/zinc/90/65/49/604906549.db2.gz SBWKGNPFPMVCEF-JKSUJKDBSA-N -1 0 346.427 3.824 20 0 EHADRM CCC(=O)c1cccc(NC(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])c1 ZINC000828580739 604906552 /nfs/dbraw/zinc/90/65/52/604906552.db2.gz SBWKGNPFPMVCEF-CVEARBPZSA-N -1 0 346.427 3.824 20 0 EHADRM Cc1ccc([C@H](CNC(=O)c2cccc(-c3ccoc3)c2)C(=O)[O-])cc1 ZINC000431521884 604910084 /nfs/dbraw/zinc/91/00/84/604910084.db2.gz GWQCCOSSXOZGNE-IBGZPJMESA-N -1 0 349.386 3.853 20 0 EHADRM CCc1nc([C@@H](C)n2cnc3cc(C)c(C)cc32)sc1C(=O)[O-] ZINC000833673703 604923958 /nfs/dbraw/zinc/92/39/58/604923958.db2.gz MJXIBUORDMDLHM-LLVKDONJSA-N -1 0 329.425 3.980 20 0 EHADRM CCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000829719031 604928835 /nfs/dbraw/zinc/92/88/35/604928835.db2.gz XGTAHONBSJOZGA-UHFFFAOYSA-N -1 0 335.762 3.840 20 0 EHADRM CCc1cc(C)c(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)o1 ZINC000237124998 604937012 /nfs/dbraw/zinc/93/70/12/604937012.db2.gz BKKFDBXVAHBWHU-UHFFFAOYSA-N -1 0 329.396 3.658 20 0 EHADRM Cc1cccc(-c2cncc(C(=O)N(CCC(=O)[O-])CC(C)C)c2)c1 ZINC000190690607 604942138 /nfs/dbraw/zinc/94/21/38/604942138.db2.gz VFYQCUONLDVRQV-UHFFFAOYSA-N -1 0 340.423 3.630 20 0 EHADRM Cc1cc(NC(=O)N[C@H]2CCOC3(CCCCC3)C2)ccc1C(=O)[O-] ZINC000832895694 604953739 /nfs/dbraw/zinc/95/37/39/604953739.db2.gz NXHRVTHGQZKRNZ-HNNXBMFYSA-N -1 0 346.427 3.697 20 0 EHADRM C/C=C(/C=C\C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1)CC ZINC000828540932 604954542 /nfs/dbraw/zinc/95/45/42/604954542.db2.gz AVQBXTWXKSLPNR-IROFQVOHSA-N -1 0 342.439 3.700 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H]2CCCC(F)(F)C2)cc1Cl ZINC000833153718 604957389 /nfs/dbraw/zinc/95/73/89/604957389.db2.gz RHYNOFFYRNCDIU-VIFPVBQESA-N -1 0 332.734 3.738 20 0 EHADRM C[C@@H](CC(=O)N1CC[C@@H]1c1cccc(F)c1)C1CCN(C(=O)[O-])CC1 ZINC000824570004 604967744 /nfs/dbraw/zinc/96/77/44/604967744.db2.gz AHYBKONUQUYNGT-SUMWQHHRSA-N -1 0 348.418 3.515 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C/C=C\c2cccc(F)c2)C1 ZINC000679102639 604995105 /nfs/dbraw/zinc/99/51/05/604995105.db2.gz CNXMOZFXADHVNK-IJVDHGTGSA-N -1 0 333.403 3.578 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H](c3ccccc3)CC2)cc1F ZINC000833309408 604995741 /nfs/dbraw/zinc/99/57/41/604995741.db2.gz UKZPYHPCKDAEDJ-HNNXBMFYSA-N -1 0 341.382 3.934 20 0 EHADRM O=C([O-])[C@H](Nc1ccc2nc(C3CC3)sc2c1)c1cccnc1 ZINC000833169969 604998816 /nfs/dbraw/zinc/99/88/16/604998816.db2.gz NMKSPJSKODWLMB-OAHLLOKOSA-N -1 0 325.393 3.807 20 0 EHADRM C[C@H](N[C@H](C(=O)[O-])c1cccnc1)c1nc(-c2ccccc2)cs1 ZINC000827718463 605000410 /nfs/dbraw/zinc/00/04/10/605000410.db2.gz SORHHVZDAXZSSX-LRDDRELGSA-N -1 0 339.420 3.682 20 0 EHADRM O=C([O-])c1c(NCc2ccsc2)ncnc1NCc1ccsc1 ZINC000833294283 605014308 /nfs/dbraw/zinc/01/43/08/605014308.db2.gz ORCMYTVKFAZVHW-UHFFFAOYSA-N -1 0 346.437 3.522 20 0 EHADRM C[C@H](C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1)c1c(F)cccc1F ZINC000833407631 605036000 /nfs/dbraw/zinc/03/60/00/605036000.db2.gz UFBBSYQPRJQWDP-VFZGTOFNSA-N -1 0 338.281 3.577 20 0 EHADRM Cc1cc(C(=O)N2CCCc3c(C(=O)[O-])cccc32)cc(C)c1F ZINC000833743051 605043468 /nfs/dbraw/zinc/04/34/68/605043468.db2.gz JWLFAMNFTXZSIR-UHFFFAOYSA-N -1 0 327.355 3.734 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)N2CCC(CC(=O)[O-])CC2)cc1 ZINC000263270282 605056224 /nfs/dbraw/zinc/05/62/24/605056224.db2.gz OYUWHEHLKUZICQ-ONEGZZNKSA-N -1 0 329.440 3.927 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CC(=O)N2CCCc3c(C(=O)[O-])cccc32)CCO1 ZINC000833472469 605070663 /nfs/dbraw/zinc/07/06/63/605070663.db2.gz SONMPWRRAAIQMX-KSSFIOAISA-N -1 0 345.439 3.505 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)CCc2ccc(F)cc2F)cc1 ZINC000833420064 605073702 /nfs/dbraw/zinc/07/37/02/605073702.db2.gz XWBWPIIGLPYJSI-UHFFFAOYSA-N -1 0 347.361 3.898 20 0 EHADRM CC1(C)CC[C@H](C(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)C1 ZINC000833558593 605079631 /nfs/dbraw/zinc/07/96/31/605079631.db2.gz XMQSDHXLTNLJAI-LBPRGKRZSA-N -1 0 339.382 3.594 20 0 EHADRM CC(C)Oc1ccccc1[C@@H](C)NC(=O)C1CCC(C(=O)[O-])CC1 ZINC000684772268 605082388 /nfs/dbraw/zinc/08/23/88/605082388.db2.gz ZQQKLHKNLZIMBC-WLYUNCDWSA-N -1 0 333.428 3.542 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000580874213 605085220 /nfs/dbraw/zinc/08/52/20/605085220.db2.gz VHIXMOGLXUIBQY-UHFFFAOYSA-N -1 0 345.483 3.921 20 0 EHADRM CC(C)(CNC(=O)C1CCC(C(=O)[O-])CC1)c1ccccc1Cl ZINC000194409930 605085697 /nfs/dbraw/zinc/08/56/97/605085697.db2.gz LAUYLTIARRDUTO-UHFFFAOYSA-N -1 0 337.847 3.625 20 0 EHADRM CC(C)(C)OCc1ccc(NC(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000833445489 605090207 /nfs/dbraw/zinc/09/02/07/605090207.db2.gz ICASPZKYKDIMGH-UHFFFAOYSA-N -1 0 333.428 3.831 20 0 EHADRM C[C@@H]1CC[C@]2(CCN(C(=O)Nc3ccc(N(C)C(=O)[O-])cc3)C2)C1 ZINC000833609076 605093095 /nfs/dbraw/zinc/09/30/95/605093095.db2.gz DXQFHAUJFUFWNI-ACJLOTCBSA-N -1 0 331.416 3.845 20 0 EHADRM Cc1c(NC(=O)NCCOc2ccccc2Cl)cccc1C(=O)[O-] ZINC000833741557 605094114 /nfs/dbraw/zinc/09/41/14/605094114.db2.gz BAVLJNBLKHELJI-UHFFFAOYSA-N -1 0 348.786 3.547 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C(=O)c1cncc(C(=O)[O-])c1)C1CC1 ZINC000630151739 605101697 /nfs/dbraw/zinc/10/16/97/605101697.db2.gz QHDBYEWPMBBRLT-LLVKDONJSA-N -1 0 344.798 3.799 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc2c(cnn2C(C)C)c1)C(=O)[O-] ZINC000833641000 605101838 /nfs/dbraw/zinc/10/18/38/605101838.db2.gz CZDHTIUWJWLCHR-UHFFFAOYSA-N -1 0 346.431 3.630 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)CC(C)(C)CC(=O)[O-])c1nc2ccccc2[nH]1 ZINC000683303325 605102749 /nfs/dbraw/zinc/10/27/49/605102749.db2.gz ZJCGJEFMPDWZIN-SJCJKPOMSA-N -1 0 345.443 3.657 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)c2ccn(C(F)F)n2)s1 ZINC000833450219 605108207 /nfs/dbraw/zinc/10/82/07/605108207.db2.gz KLCJXAZEXLFXTD-UHFFFAOYSA-N -1 0 343.355 3.588 20 0 EHADRM C[C@H](OC(=O)C1CCC(C(=O)[O-])CC1)c1c(F)cc(F)cc1F ZINC000833526540 605119671 /nfs/dbraw/zinc/11/96/71/605119671.db2.gz GJFPRMXBXOHAGK-IDKOKCKLSA-N -1 0 330.302 3.599 20 0 EHADRM CC1(C)CC[C@H]2C[C@H](NC(=S)NCCCC(=O)[O-])c3cccc1c32 ZINC000833558533 605124652 /nfs/dbraw/zinc/12/46/52/605124652.db2.gz JLVLLZVSLOZCRP-WFASDCNBSA-N -1 0 346.496 3.615 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)N2CCC(CC(=O)[O-])CC2)c2ccccc21 ZINC000833604040 605127616 /nfs/dbraw/zinc/12/76/16/605127616.db2.gz PWCYOUMAVKGZEW-DYVFJYSZSA-N -1 0 330.428 3.521 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCCN2C(=O)c1ccc(C(=O)[O-])cn1 ZINC000833449672 605136842 /nfs/dbraw/zinc/13/68/42/605136842.db2.gz QJFKITPYRMTVFM-UHFFFAOYSA-N -1 0 338.407 3.670 20 0 EHADRM CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC000833654353 605137004 /nfs/dbraw/zinc/13/70/04/605137004.db2.gz MCLAVABSXHOSEJ-AWEZNQCLSA-N -1 0 334.416 3.541 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(Cl)ccc2C)cc1 ZINC000685018553 605147228 /nfs/dbraw/zinc/14/72/28/605147228.db2.gz JBZKGUQTMHEIIH-INIZCTEOSA-N -1 0 347.798 3.603 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)N[C@@H]2CCCc3cc(F)ccc32)cc1 ZINC000833776157 605157732 /nfs/dbraw/zinc/15/77/32/605157732.db2.gz XGGIJBSQONFWDF-QGZVFWFLSA-N -1 0 342.370 3.652 20 0 EHADRM Cc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)nc1 ZINC000833747894 605160407 /nfs/dbraw/zinc/16/04/07/605160407.db2.gz NJUVMQOQTZCTPX-ZDUSSCGKSA-N -1 0 340.162 3.680 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)N[C@@H]1C[C@@H]2CCC(C)(C)c3cccc1c32 ZINC000833468000 605161200 /nfs/dbraw/zinc/16/12/00/605161200.db2.gz KTSOJBVMXVNMQQ-MJEQTWJJSA-N -1 0 344.455 3.695 20 0 EHADRM C[C@H]1CC[C@H](C(=O)OCc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000833607082 605164057 /nfs/dbraw/zinc/16/40/57/605164057.db2.gz YXSFNDQVPLUMHP-FZMZJTMJSA-N -1 0 345.420 3.988 20 0 EHADRM CC(C)Oc1ccc(NC(=O)NC2(CC(=O)[O-])CCCCC2)cc1 ZINC000325679488 605167137 /nfs/dbraw/zinc/16/71/37/605167137.db2.gz NGWGPBQWZMQTFS-UHFFFAOYSA-N -1 0 334.416 3.773 20 0 EHADRM C[C@H](C(=O)Nc1cncc(C(=O)[O-])c1)c1c(Cl)cccc1Cl ZINC000833411260 605168307 /nfs/dbraw/zinc/16/83/07/605168307.db2.gz OGIHDJDDCCVIMO-QMMMGPOBSA-N -1 0 339.178 3.829 20 0 EHADRM CC(C)(C)OCc1ccc(NC(=O)Nc2cncc(C(=O)[O-])c2)cc1 ZINC000833445259 605171457 /nfs/dbraw/zinc/17/14/57/605171457.db2.gz FEHHBORXNJAADG-UHFFFAOYSA-N -1 0 343.383 3.739 20 0 EHADRM CC(C)(CNC(=O)Nc1cncc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000833459192 605174599 /nfs/dbraw/zinc/17/45/99/605174599.db2.gz JRFMMJZSZCXIIG-UHFFFAOYSA-N -1 0 347.802 3.533 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)Nc2cncc(C(=O)[O-])c2)c2ccccc21 ZINC000833603357 605182643 /nfs/dbraw/zinc/18/26/43/605182643.db2.gz KOWGFUJISYPGNZ-BZNIZROVSA-N -1 0 325.368 3.540 20 0 EHADRM CC(C)(C)c1cnc(CN[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])o1 ZINC000833449031 605183630 /nfs/dbraw/zinc/18/36/30/605183630.db2.gz FBMOHTFUPXWYQE-INIZCTEOSA-N -1 0 330.428 3.914 20 0 EHADRM O=C([O-])c1sc(-c2ccccc2)cc1OCCOC[C@H]1CCCO1 ZINC000833785307 605186359 /nfs/dbraw/zinc/18/63/59/605186359.db2.gz PBLCOPAYAUAXJK-CQSZACIVSA-N -1 0 348.420 3.688 20 0 EHADRM C[C@@H](C(=O)OCc1coc(-c2ccc(C(=O)[O-])cc2)n1)C1CCCC1 ZINC000833408596 605190076 /nfs/dbraw/zinc/19/00/76/605190076.db2.gz DWOOJDADWLDFJD-GFCCVEGCSA-N -1 0 343.379 3.909 20 0 EHADRM C[C@@H]1CC/C(=C/C(=O)OCc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000833603902 605191128 /nfs/dbraw/zinc/19/11/28/605191128.db2.gz XCJVSSHJKWOEHA-FNWMBBJUSA-N -1 0 341.363 3.829 20 0 EHADRM CC[C@@H](C)[C@H](C)C(=O)OCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833638466 605196104 /nfs/dbraw/zinc/19/61/04/605196104.db2.gz NDLGCABJTMLJGF-NEPJUHHUSA-N -1 0 331.368 3.765 20 0 EHADRM CC[C@H](C)Oc1cc(C(=O)Nc2cc(C)c(C(=O)[O-])s2)ccn1 ZINC000833640732 605201777 /nfs/dbraw/zinc/20/17/77/605201777.db2.gz BLVJIWPMYRHUBP-JTQLQIEISA-N -1 0 334.397 3.579 20 0 EHADRM CC[C@@H](C)Oc1cc(-c2nc(-c3cccc(C(=O)[O-])c3)no2)ccn1 ZINC000833641384 605205170 /nfs/dbraw/zinc/20/51/70/605205170.db2.gz XJGBOJUVPJSVPX-LLVKDONJSA-N -1 0 339.351 3.674 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2(c3ccc(F)cc3F)CCC2)c(F)c1 ZINC000833782644 605213377 /nfs/dbraw/zinc/21/33/77/605213377.db2.gz LMILSUBTWIJCAZ-UHFFFAOYSA-N -1 0 349.308 3.863 20 0 EHADRM C[C@@H](c1ccccn1)N(C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833550351 605217280 /nfs/dbraw/zinc/21/72/80/605217280.db2.gz TZJQKYYTDZCYGU-ZDUSSCGKSA-N -1 0 337.379 3.628 20 0 EHADRM CCO[C@@H]1C[C@@H](Nc2ccc(CN(C)C(=O)[O-])cc2)C12CCCC2 ZINC000833659897 605219839 /nfs/dbraw/zinc/21/98/39/605219839.db2.gz JBIZNHXTCLOHKC-IAGOWNOFSA-N -1 0 332.444 3.946 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)/C=C\c1ccnc2ccccc12)C(=O)[O-] ZINC000833426158 605232880 /nfs/dbraw/zinc/23/28/80/605232880.db2.gz FLKQBTMJDXAWEW-QWGSZXSUSA-N -1 0 327.380 3.681 20 0 EHADRM COc1cc(NCC2=Cc3ccccc3OC2)ccc1NC(=O)[O-] ZINC000829198074 605244599 /nfs/dbraw/zinc/24/45/99/605244599.db2.gz MUSOINMYJQJRDK-UHFFFAOYSA-N -1 0 326.352 3.673 20 0 EHADRM C[C@@H]1CCC[C@@H](OCCCCCC(=O)Nc2ccc(C(=O)[O-])nc2)C1 ZINC000833607843 605250533 /nfs/dbraw/zinc/25/05/33/605250533.db2.gz JFDLLFKXKXSEII-GDBMZVCRSA-N -1 0 348.443 3.874 20 0 EHADRM Cc1ccc(NC(=O)C(C)(C)C)cc1NC1CCN(C(=O)[O-])CC1 ZINC000830353049 605255733 /nfs/dbraw/zinc/25/57/33/605255733.db2.gz MLSJORAONWFRDG-UHFFFAOYSA-N -1 0 333.432 3.534 20 0 EHADRM Cc1cc(F)cc(NC(=O)N2CCC([C@@H]3CCCN3C(=O)[O-])CC2)c1 ZINC000830062616 605261442 /nfs/dbraw/zinc/26/14/42/605261442.db2.gz XDXJVBSOYXDBPH-INIZCTEOSA-N -1 0 349.406 3.520 20 0 EHADRM C[C@@H]1CSC(S[C@@H](Cc2ccc(C(F)(F)F)cc2)C(=O)[O-])=N1 ZINC000833631977 605263438 /nfs/dbraw/zinc/26/34/38/605263438.db2.gz SBFZRIBZTBVURF-KCJUWKMLSA-N -1 0 349.399 3.926 20 0 EHADRM CC(C)(C)Oc1cc(F)ccc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000833447722 605271903 /nfs/dbraw/zinc/27/19/03/605271903.db2.gz QPVUSKOFHIGODX-UHFFFAOYSA-N -1 0 345.370 3.882 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833536277 605275653 /nfs/dbraw/zinc/27/56/53/605275653.db2.gz QOJZPMBGVQJJQQ-LLVKDONJSA-N -1 0 338.379 3.982 20 0 EHADRM COc1ccc(CCCC(=O)Nc2ccc(NC(=O)[O-])c(F)c2)cc1 ZINC000833731417 605275657 /nfs/dbraw/zinc/27/56/57/605275657.db2.gz AOTCEEUPDKBUOO-UHFFFAOYSA-N -1 0 346.358 3.886 20 0 EHADRM C[C@H](c1ccc(F)cc1F)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000652501989 605293406 /nfs/dbraw/zinc/29/34/06/605293406.db2.gz FLVRIEKOUANPMZ-GFCCVEGCSA-N -1 0 335.350 3.621 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)c1ccc(NC(=O)[O-])cc1)C(F)(F)F ZINC000833423202 605294589 /nfs/dbraw/zinc/29/45/89/605294589.db2.gz FDFVQUBHUQVWMJ-LLVKDONJSA-N -1 0 332.322 3.873 20 0 EHADRM C[C@H](C(=O)OCc1ccc(NC(=O)[O-])cc1)c1c(F)cccc1F ZINC000833410032 605303346 /nfs/dbraw/zinc/30/33/46/605303346.db2.gz UGHPHDYHJZPLLK-JTQLQIEISA-N -1 0 335.306 3.902 20 0 EHADRM CC(C)CCC(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000833483274 605306846 /nfs/dbraw/zinc/30/68/46/605306846.db2.gz NYQXHIBROWYHNS-CYBMUJFWSA-N -1 0 331.334 3.774 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2ccccc2OC(F)(F)F)c1 ZINC000740037878 605314688 /nfs/dbraw/zinc/31/46/88/605314688.db2.gz YKOSEMUDASLAMM-UHFFFAOYSA-N -1 0 340.257 3.927 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)c2nc3ccccc3s2)c1 ZINC000834261860 605379177 /nfs/dbraw/zinc/37/91/77/605379177.db2.gz PSAIKJVOYZFWSW-UHFFFAOYSA-N -1 0 331.328 3.778 20 0 EHADRM CCC[C@@H](C)[C@@H]1CCCN1C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000826729021 605425061 /nfs/dbraw/zinc/42/50/61/605425061.db2.gz QFHFUQAMWKGOFI-ZCRFILTFSA-N -1 0 336.476 3.725 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)NCCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000833748836 605448399 /nfs/dbraw/zinc/44/83/99/605448399.db2.gz VQBPHVBSQWVBEK-HNNXBMFYSA-N -1 0 340.423 3.622 20 0 EHADRM O=C([O-])N1CC[C@@H](CCC(=O)N(Cc2ccco2)c2ccccc2)C1 ZINC000834070868 605456641 /nfs/dbraw/zinc/45/66/41/605456641.db2.gz BZAZQUFANNLYNG-OAHLLOKOSA-N -1 0 342.395 3.593 20 0 EHADRM C[C@H]1C[C@H](C(=O)N(C)c2ccc(OCC(=O)[O-])cc2)CC(C)(C)C1 ZINC000262997938 605456812 /nfs/dbraw/zinc/45/68/12/605456812.db2.gz KOBAZSDMYQOCSW-KBPBESRZSA-N -1 0 333.428 3.575 20 0 EHADRM C/C(=C/CN[C@H](c1ccccc1OC(F)F)C(F)(F)F)C(=O)[O-] ZINC000833382028 605474593 /nfs/dbraw/zinc/47/45/93/605474593.db2.gz FSZKFWZUPSQJHF-BPOWMSRESA-N -1 0 339.260 3.512 20 0 EHADRM CCCN(C(=O)Nc1ccc2[nH]ccc2c1)C1CCN(C(=O)[O-])CC1 ZINC000826878823 605542635 /nfs/dbraw/zinc/54/26/35/605542635.db2.gz AGUSILWJSOKCCY-UHFFFAOYSA-N -1 0 344.415 3.554 20 0 EHADRM CCCN(C(=O)Nc1cccc(F)c1C)C1CCN(C(=O)[O-])CC1 ZINC000826879197 605548112 /nfs/dbraw/zinc/54/81/12/605548112.db2.gz HXXPTMULAHVHCX-UHFFFAOYSA-N -1 0 337.395 3.520 20 0 EHADRM CN(Cc1ccc(NC(=O)[O-])nc1)[C@@H](c1ccccc1)C(F)(F)F ZINC000833874290 605586062 /nfs/dbraw/zinc/58/60/62/605586062.db2.gz GUXIMUCZESCFRQ-AWEZNQCLSA-N -1 0 339.317 3.907 20 0 EHADRM Cc1cc(C(=O)N(CC(C)C)CC(F)(F)F)ccc1NC(=O)[O-] ZINC000829914668 605618031 /nfs/dbraw/zinc/61/80/31/605618031.db2.gz SILAXTDUTULRPQ-UHFFFAOYSA-N -1 0 332.322 3.745 20 0 EHADRM Cc1cc(C(=O)NC[C@H](C)c2ccc(F)cc2)ccc1NC(=O)[O-] ZINC000829947620 605639893 /nfs/dbraw/zinc/63/98/93/605639893.db2.gz ZAJAFNKDFMMEDW-LBPRGKRZSA-N -1 0 330.359 3.758 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCCCC[C@H]2c2ccco2)c(O)c1 ZINC000834258295 605650159 /nfs/dbraw/zinc/65/01/59/605650159.db2.gz OQTQJMCALDFIPO-AWEZNQCLSA-N -1 0 344.367 3.833 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N(CC2CC2)c2ccccc2)c(O)c1 ZINC000834256065 605655893 /nfs/dbraw/zinc/65/58/93/605655893.db2.gz KSCVMOBWYUZWFO-UHFFFAOYSA-N -1 0 326.352 3.539 20 0 EHADRM Cc1nc(C(C)C)sc1[C@H](C)OC(=O)CC(C)(C)NC(=O)[O-] ZINC000833912817 605667595 /nfs/dbraw/zinc/66/75/95/605667595.db2.gz POFQNSMHSGAWAF-JTQLQIEISA-N -1 0 328.434 3.615 20 0 EHADRM Cc1cc(C(=O)N2CCc3c(F)cc(F)cc3C2)ccc1NC(=O)[O-] ZINC000829934429 605713612 /nfs/dbraw/zinc/71/36/12/605713612.db2.gz MCHLNVKOBJSDLI-UHFFFAOYSA-N -1 0 346.333 3.562 20 0 EHADRM O=C([O-])N1CCCCC[C@@H]1c1noc(-c2scnc2C2CC2)n1 ZINC000834110416 605723739 /nfs/dbraw/zinc/72/37/39/605723739.db2.gz XIFFCTDAFFPXNO-SNVBAGLBSA-N -1 0 334.401 3.666 20 0 EHADRM Cc1c(C(=O)N2CC[C@H](NC(=O)[O-])C[C@@H]2C)oc2c1c(C)ccc2C ZINC000830274254 605724881 /nfs/dbraw/zinc/72/48/81/605724881.db2.gz GWIOFORKTGRZPE-JSGCOSHPSA-N -1 0 344.411 3.619 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N(Cc2ccccc2F)C2CC2)c1 ZINC000834265583 605757066 /nfs/dbraw/zinc/75/70/66/605757066.db2.gz YJFJBVWLFOAENS-UHFFFAOYSA-N -1 0 342.370 3.649 20 0 EHADRM Cc1cc(C(=O)N2C[C@H](C(F)(F)F)CC[C@@H]2C)ccc1NC(=O)[O-] ZINC000833899437 605769679 /nfs/dbraw/zinc/76/96/79/605769679.db2.gz RHDMIUFCXCWHJB-CMPLNLGQSA-N -1 0 344.333 3.888 20 0 EHADRM COc1cc(N[C@H]2C[C@@H](NC(=O)[O-])c3ccccc32)cc(OC)c1 ZINC000833887579 605810021 /nfs/dbraw/zinc/81/00/21/605810021.db2.gz IKLZUTVNODABKK-DLBZAZTESA-N -1 0 328.368 3.569 20 0 EHADRM CCCN(C(=O)c1csc2ccccc12)C1CCN(C(=O)[O-])CC1 ZINC000826887628 605816975 /nfs/dbraw/zinc/81/69/75/605816975.db2.gz WNMDQXBJNWBGTD-UHFFFAOYSA-N -1 0 346.452 3.896 20 0 EHADRM Cc1cc(C(=O)O[C@H](C)c2nc(C(C)C)no2)ccc1NC(=O)[O-] ZINC000829970973 605834683 /nfs/dbraw/zinc/83/46/83/605834683.db2.gz JTPUQWKIORDMNH-SNVBAGLBSA-N -1 0 333.344 3.509 20 0 EHADRM C[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2Cl)c2ccccc2NC1=O ZINC000833629100 605841008 /nfs/dbraw/zinc/84/10/08/605841008.db2.gz FCQRIZYOCGQBMO-LLVKDONJSA-N -1 0 344.798 3.633 20 0 EHADRM O=C([O-])N1CCC2(C[C@@H]2C(=O)N2CCCCC[C@H]2c2ccco2)CC1 ZINC000834086566 605904110 /nfs/dbraw/zinc/90/41/10/605904110.db2.gz DCJCJQNOZFLRQO-CABCVRRESA-N -1 0 346.427 3.503 20 0 EHADRM O=C([O-])N1CCC2(C[C@H]2C(=O)N2CCCCC[C@@H]2c2ccco2)CC1 ZINC000834086578 605906327 /nfs/dbraw/zinc/90/63/27/605906327.db2.gz DCJCJQNOZFLRQO-LSDHHAIUSA-N -1 0 346.427 3.503 20 0 EHADRM O=C([O-])NCCCCC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000834233872 605922685 /nfs/dbraw/zinc/92/26/85/605922685.db2.gz HHSIEUBHTWFGED-QGZVFWFLSA-N -1 0 343.427 3.659 20 0 EHADRM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2Cc1cc(-c2cccs2)on1 ZINC000832239498 605944612 /nfs/dbraw/zinc/94/46/12/605944612.db2.gz IZICEHCNOBMPFE-QXMXGUDHSA-N -1 0 347.440 3.556 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)c3ccnc(C4CC4)c3)ccc21 ZINC000834052670 606003517 /nfs/dbraw/zinc/00/35/17/606003517.db2.gz JFQQYVANSSKINJ-UHFFFAOYSA-N -1 0 337.379 3.642 20 0 EHADRM O=C([O-])N[C@H](CC(F)F)C(=O)Nc1ccccc1-c1cccs1 ZINC000834132369 606006395 /nfs/dbraw/zinc/00/63/95/606006395.db2.gz DZSBEIKIGNMCFP-LLVKDONJSA-N -1 0 340.351 3.645 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCCc1ccc(F)cc1F ZINC000833906579 606012081 /nfs/dbraw/zinc/01/20/81/606012081.db2.gz HAWBGEZCCRPSQQ-UHFFFAOYSA-N -1 0 349.337 3.727 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)Nc2cccnc2-c2ccccc2)C1 ZINC000834167210 606024565 /nfs/dbraw/zinc/02/45/65/606024565.db2.gz AVPIPBUHGIGDSR-CABCVRRESA-N -1 0 339.395 3.514 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)NCCCSc1ccccc1 ZINC000834273934 606043194 /nfs/dbraw/zinc/04/31/94/606043194.db2.gz RNCQVMWHPQFDCC-UHFFFAOYSA-N -1 0 344.436 3.618 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N1CCC(c2ccccc2)CC1 ZINC000834271583 606044840 /nfs/dbraw/zinc/04/48/40/606044840.db2.gz VNPUWVKEDXFETM-UHFFFAOYSA-N -1 0 338.407 3.725 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)OCc1cccc2cccnc21 ZINC000834273429 606089451 /nfs/dbraw/zinc/08/94/51/606089451.db2.gz AZTVRXZJHBOGGW-UHFFFAOYSA-N -1 0 336.347 3.611 20 0 EHADRM Clc1nsc(Oc2ccc3ccccc3c2)c1-c1nnn[n-]1 ZINC000826354747 608169269 /nfs/dbraw/zinc/16/92/69/608169269.db2.gz SQQIYQRUNJJBEP-UHFFFAOYSA-N -1 0 329.772 3.922 20 0 EHADRM CCc1ccsc1C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000181899817 939033995 /nfs/dbraw/zinc/03/39/95/939033995.db2.gz AGJPDVCDDSJKFO-LBPRGKRZSA-N -1 0 341.791 3.659 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc2cc[nH]c2c1)c1ccc(Cl)c(F)c1 ZINC000181904899 939034268 /nfs/dbraw/zinc/03/42/68/939034268.db2.gz SNZMPMHEUGLZOZ-OAHLLOKOSA-N -1 0 346.745 3.516 20 0 EHADRM CC[C@H](C)[C@H](C)NC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000684737468 939039001 /nfs/dbraw/zinc/03/90/01/939039001.db2.gz WORFYQYCDLYGCI-DCGLDWPTSA-N -1 0 328.412 3.699 20 0 EHADRM Cc1c(C(=O)N[C@H](C(=O)[O-])c2ccccc2)oc2c1c(C)ccc2C ZINC000237664795 939048237 /nfs/dbraw/zinc/04/82/37/939048237.db2.gz PHBSZNPZLARBGJ-INIZCTEOSA-N -1 0 337.375 3.914 20 0 EHADRM O=C([O-])C1(NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)CCCCCC1 ZINC000237952591 939052000 /nfs/dbraw/zinc/05/20/00/939052000.db2.gz ATCQBZSNNQNHCN-KGLIPLIRSA-N -1 0 335.831 3.737 20 0 EHADRM CC[C@](NC(=O)c1sccc1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000262279256 939063740 /nfs/dbraw/zinc/06/37/40/939063740.db2.gz ZBFIPCKRUDCELM-MRXNPFEDSA-N -1 0 337.828 3.830 20 0 EHADRM CC[C@](NC(=O)/C=C(\C)c1cccc(F)c1)(C(=O)[O-])c1ccccc1 ZINC000766970974 939085324 /nfs/dbraw/zinc/08/53/24/939085324.db2.gz JLJQUHRNTIHLRP-CMQXMCPJSA-N -1 0 341.382 3.735 20 0 EHADRM COc1ccc([C@@H](NC(=O)c2ccc(C3CCC3)cc2)C(=O)[O-])cc1 ZINC000263252985 939112288 /nfs/dbraw/zinc/11/22/88/939112288.db2.gz HTJZUWSQPWUVKE-GOSISDBHSA-N -1 0 339.391 3.518 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000327469327 939127550 /nfs/dbraw/zinc/12/75/50/939127550.db2.gz JCXHZSGGQNFDER-LJQANCHMSA-N -1 0 342.395 3.595 20 0 EHADRM C[C@](NC(=O)c1cc2ccccc2s1)(C(=O)[O-])c1ccccc1 ZINC000390701596 939135863 /nfs/dbraw/zinc/13/58/63/939135863.db2.gz UBGCQWKGTKXBTL-GOSISDBHSA-N -1 0 325.389 3.631 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1cc(Cl)c(Cl)c(Cl)c1)C1CC1 ZINC000404256466 939140222 /nfs/dbraw/zinc/14/02/22/939140222.db2.gz QCGSANYQDLDBRN-JTQLQIEISA-N -1 0 337.590 3.632 20 0 EHADRM CSc1ccc(C)c(NC(=O)N[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000780717895 939147796 /nfs/dbraw/zinc/14/77/96/939147796.db2.gz COSQDLWHGTWMNY-HNNXBMFYSA-N -1 0 330.409 3.664 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1ccc(F)cc1)c1cccc2ccccc21 ZINC000788315370 939148442 /nfs/dbraw/zinc/14/84/42/939148442.db2.gz QYOVTRBGACCLIB-QGZVFWFLSA-N -1 0 338.338 3.926 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccccc1)Cc1ccc(Cl)cc1 ZINC000431465216 939152726 /nfs/dbraw/zinc/15/27/26/939152726.db2.gz NENHBFYMVNFMQF-FZKQIMNGSA-N -1 0 345.826 3.851 20 0 EHADRM CC[C@@](NC(=O)c1cccc(C)c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507318145 939235196 /nfs/dbraw/zinc/23/51/96/939235196.db2.gz LKWSMEHFCSYXLF-SFHVURJKSA-N -1 0 331.799 3.768 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C1CCCC1 ZINC000852942533 939238302 /nfs/dbraw/zinc/23/83/02/939238302.db2.gz JWPZEENVESMADL-LBPRGKRZSA-N -1 0 329.368 3.831 20 0 EHADRM Cc1cc(C)cc([C@@H](C)NC(=O)N[C@@H](C(=O)[O-])c2cccs2)c1 ZINC000515118172 939239983 /nfs/dbraw/zinc/23/99/83/939239983.db2.gz CTWCCLSDNMSWGP-IUODEOHRSA-N -1 0 332.425 3.551 20 0 EHADRM Cc1ccc([C@@H](NC(=O)Nc2ccc(F)cc2F)C(=O)[O-])cc1C ZINC000516840376 939245561 /nfs/dbraw/zinc/24/55/61/939245561.db2.gz HTWCFCKWBRYIRX-OAHLLOKOSA-N -1 0 334.322 3.529 20 0 EHADRM CC[C@@H](NC(=O)N[C@@H](C(=O)[O-])c1ccsc1)c1ccc(C)cc1 ZINC000520708942 939255123 /nfs/dbraw/zinc/25/51/23/939255123.db2.gz XGBQHDAYWHTAOF-HUUCEWRRSA-N -1 0 332.425 3.633 20 0 EHADRM Cc1ccccc1CNC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000521990987 939257704 /nfs/dbraw/zinc/25/77/04/939257704.db2.gz UPBNHGNQXCZDLZ-LJQANCHMSA-N -1 0 348.402 3.773 20 0 EHADRM CC[C@@H](C)c1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccccn2)c1 ZINC000864582706 939259043 /nfs/dbraw/zinc/25/90/43/939259043.db2.gz DMIRXKKXOQVKGI-WBMJQRKESA-N -1 0 327.384 3.543 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2ccc(F)c(C(F)F)c2)CCCCC1 ZINC000864585224 939259068 /nfs/dbraw/zinc/25/90/68/939259068.db2.gz VJZLYKWDVBTOHE-UHFFFAOYSA-N -1 0 330.306 3.672 20 0 EHADRM O=C([O-])[C@H](NC(=O)CCCc1ccccc1)c1ccc(Cl)c(F)c1 ZINC000537365788 939265782 /nfs/dbraw/zinc/26/57/82/939265782.db2.gz CWGRGYCLLAJTQC-QGZVFWFLSA-N -1 0 349.789 3.744 20 0 EHADRM CC[C@@H](CC(=O)N[C@H](C(=O)[O-])c1ccc(OC(F)F)cc1)C(C)C ZINC000537402870 939269210 /nfs/dbraw/zinc/26/92/10/939269210.db2.gz JZTSSVRUNSVYJO-NHYWBVRUSA-N -1 0 343.370 3.602 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N[C@](C)(C(=O)[O-])C2CC2)c(Cl)c1 ZINC000900342600 939277708 /nfs/dbraw/zinc/27/77/08/939277708.db2.gz RERVSZKZZJQANI-INIZCTEOSA-N -1 0 340.807 3.502 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc(C2CC2)oc1C1CC1)c1cccs1 ZINC000907646083 939300569 /nfs/dbraw/zinc/30/05/69/939300569.db2.gz YZUKJEKOUHXNPV-AWEZNQCLSA-N -1 0 331.393 3.652 20 0 EHADRM Cc1nc2ccc(NC(=O)N[C@H](C(=O)[O-])c3ccsc3)cc2s1 ZINC000559585504 939316811 /nfs/dbraw/zinc/31/68/11/939316811.db2.gz KDASYPUDADBRDK-ZDUSSCGKSA-N -1 0 347.421 3.614 20 0 EHADRM CC[C@](NC(=O)c1cc(C)c(C)o1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000560447436 939318092 /nfs/dbraw/zinc/31/80/92/939318092.db2.gz VTTPHACMGKBXQX-QGZVFWFLSA-N -1 0 335.787 3.670 20 0 EHADRM Cc1cc(C)cc([C@H](C)NC(=O)N[C@@H](C(=O)[O-])c2ccsc2)c1 ZINC000562430010 939326060 /nfs/dbraw/zinc/32/60/60/939326060.db2.gz JDBFVBRBKKWWTM-SWLSCSKDSA-N -1 0 332.425 3.551 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)N[C@@H](C(=O)[O-])c2cccc(O)c2)cc1 ZINC000562434307 939329651 /nfs/dbraw/zinc/32/96/51/939329651.db2.gz LZLWIGVCFZWZDL-MRXNPFEDSA-N -1 0 342.395 3.637 20 0 EHADRM CC[C@H](CC(=O)N[C@H](C(=O)[O-])c1ccsc1)c1ccc(OC)cc1 ZINC000563451569 939339213 /nfs/dbraw/zinc/33/92/13/939339213.db2.gz VRMDCECIHOOFBW-PXAZEXFGSA-N -1 0 347.436 3.583 20 0 EHADRM CC(C)[C@@H](CC(=O)N[C@H](C(=O)[O-])c1ccsc1)c1ccccc1 ZINC000566506827 939354456 /nfs/dbraw/zinc/35/44/56/939354456.db2.gz HVFPOWPVXDPYQO-WBVHZDCISA-N -1 0 331.437 3.820 20 0 EHADRM Cc1cc(C)cc([C@@H](NC(=O)Nc2ccc3[nH]ccc3c2)C(=O)[O-])c1 ZINC000567011364 939358732 /nfs/dbraw/zinc/35/87/32/939358732.db2.gz ZVXGJVRQAUIANG-QGZVFWFLSA-N -1 0 337.379 3.732 20 0 EHADRM Cc1cccc([C@H](NC(=O)CC(C)(C)CC(F)F)C(=O)[O-])c1C ZINC000909805077 939739815 /nfs/dbraw/zinc/73/98/15/939739815.db2.gz WSEBDZCUXHCNGJ-HNNXBMFYSA-N -1 0 327.371 3.617 20 0 EHADRM C[C@@H]1CCC[C@@H]1NC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000577817037 939749484 /nfs/dbraw/zinc/74/94/84/939749484.db2.gz BIVMNHFACYMAHT-OXHMUOHRSA-N -1 0 345.226 3.607 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@H]1CCCC12CC2)c1ccc(C(F)(F)F)cc1 ZINC000911061298 939768015 /nfs/dbraw/zinc/76/80/15/939768015.db2.gz JCIGGBPADQYJEY-OLZOCXBDSA-N -1 0 341.329 3.528 20 0 EHADRM CC[C@@H](NC(=O)N[C@@H](C(=O)[O-])c1cccs1)c1ccc(C)cc1 ZINC000582219259 939783345 /nfs/dbraw/zinc/78/33/45/939783345.db2.gz ZOUTVILWGIOQRQ-UKRRQHHQSA-N -1 0 332.425 3.633 20 0 EHADRM CC1(C)CCC[C@](NC(=O)c2ccsc2C(F)F)(C(=O)[O-])C1 ZINC000923099393 939785553 /nfs/dbraw/zinc/78/55/53/939785553.db2.gz XZFPGVXNDDLJJM-OAHLLOKOSA-N -1 0 331.384 3.839 20 0 EHADRM CCc1ccc(NC(=O)N[C@@](CC)(C(=O)[O-])c2ccccc2)cc1 ZINC000584284735 939796691 /nfs/dbraw/zinc/79/66/91/939796691.db2.gz IKUDQRTXWSBFGJ-LJQANCHMSA-N -1 0 326.396 3.761 20 0 EHADRM O=C([O-])[C@H](NC(=O)N[C@H]1C=CCCC1)c1ccc(Cl)cc1Cl ZINC000584758391 939799696 /nfs/dbraw/zinc/79/96/96/939799696.db2.gz UTSNWDBSQHWZOX-GXFFZTMASA-N -1 0 343.210 3.527 20 0 EHADRM CSCc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000619543057 939809925 /nfs/dbraw/zinc/80/99/25/939809925.db2.gz SFUDNRIEFGNYRI-HNNXBMFYSA-N -1 0 348.399 3.636 20 0 EHADRM CCC[C@@H](C(=O)N[C@H](C(=O)[O-])c1cccc(C)c1C)c1ccccn1 ZINC000630191688 939816170 /nfs/dbraw/zinc/81/61/70/939816170.db2.gz TYDBITINMOQIQA-AEFFLSMTSA-N -1 0 340.423 3.524 20 0 EHADRM CCC[C@H](C(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1)c1ccccn1 ZINC000630201080 939817398 /nfs/dbraw/zinc/81/73/98/939817398.db2.gz JITIKTFQMQHSGU-WMZOPIPTSA-N -1 0 340.423 3.524 20 0 EHADRM C[C@H](CCC(=O)N[C@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000649361959 939832688 /nfs/dbraw/zinc/83/26/88/939832688.db2.gz ARLHLAJHDJKTKB-ACJLOTCBSA-N -1 0 329.371 3.652 20 0 EHADRM C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)[C@H](C(=O)[O-])C3CC3)c2)C1 ZINC000656849493 939847274 /nfs/dbraw/zinc/84/72/74/939847274.db2.gz LAUFZAMOKSUYIJ-FSPWUOQZSA-N -1 0 345.439 3.831 20 0 EHADRM CCC(C)(C)N(C)C(=O)N[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000663293569 939860431 /nfs/dbraw/zinc/86/04/31/939860431.db2.gz KBRVWLHXXOMKED-GFCCVEGCSA-N -1 0 347.242 3.949 20 0 EHADRM Cc1cc2cc(C(=O)N[C@@]3(C(=O)[O-])CCc4ccccc43)oc2cc1C ZINC000675991609 939867812 /nfs/dbraw/zinc/86/78/12/939867812.db2.gz RMFLXKWGVMLBST-NRFANRHFSA-N -1 0 349.386 3.706 20 0 EHADRM C[C@@H](C(=O)N[C@](C)(C(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC000678976910 939868179 /nfs/dbraw/zinc/86/81/79/939868179.db2.gz MEDUKKNHNRWMDD-XIKOKIGWSA-N -1 0 331.799 3.560 20 0 EHADRM Cc1cc(CCCC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)c(C)s1 ZINC000678977742 939868314 /nfs/dbraw/zinc/86/83/14/939868314.db2.gz OLJPWJUGKFQYBP-IBGZPJMESA-N -1 0 345.464 3.804 20 0 EHADRM C[C@H](CC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000683308411 939870463 /nfs/dbraw/zinc/87/04/63/939870463.db2.gz SKHSRAJVMSIQML-CWTRNNRKSA-N -1 0 347.361 3.575 20 0 EHADRM Cc1cc(Cl)c(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)cc1C ZINC000683320277 939870975 /nfs/dbraw/zinc/87/09/75/939870975.db2.gz VMZSUTXFMZXMCC-HNNXBMFYSA-N -1 0 335.762 3.652 20 0 EHADRM Cc1cc([C@@H](NC(=O)c2cccc(C(=O)[O-])c2)C2CC2)ccc1F ZINC001600146179 970770716 /nfs/dbraw/zinc/77/07/16/970770716.db2.gz BSFNFCHFTFYOFZ-KRWDZBQOSA-N -1 0 327.355 3.713 20 0 EHADRM CC(C)(C)c1csc(NC(=O)NCC2(C(=O)[O-])CCCCC2)n1 ZINC000321600250 970787842 /nfs/dbraw/zinc/78/78/42/970787842.db2.gz QYTJLIQGJMHYPW-UHFFFAOYSA-N -1 0 339.461 3.597 20 0 EHADRM Cc1cc(NC(=O)Nc2ccc3oc(CO)cc3c2)ccc1C(=O)[O-] ZINC001600272846 970790327 /nfs/dbraw/zinc/79/03/27/970790327.db2.gz ZSSBTKNBNGJJHY-UHFFFAOYSA-N -1 0 340.335 3.576 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)/C=C\c2ccc(Cl)cc2)cc1F ZINC000321790869 970808570 /nfs/dbraw/zinc/80/85/70/970808570.db2.gz VBBLBOXRWUMCET-UTCJRWHESA-N -1 0 337.709 3.968 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2ccc(OCC(=O)[O-])cc2)C(C)C)c1 ZINC001600515187 970822061 /nfs/dbraw/zinc/82/20/61/970822061.db2.gz AWNURAHCGCEXNA-LJQANCHMSA-N -1 0 341.407 3.586 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)NC3(CC(=O)[O-])CCCCC3)cc2C1 ZINC000321976953 970832825 /nfs/dbraw/zinc/83/28/25/970832825.db2.gz ISOHBVKCDJWCOS-GFCCVEGCSA-N -1 0 335.469 3.780 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)NCC(C)(C)c1cccs1 ZINC000322292576 970869577 /nfs/dbraw/zinc/86/95/77/970869577.db2.gz COCBRDDWGKIJIA-UHFFFAOYSA-N -1 0 332.425 3.854 20 0 EHADRM CC(C)C(CNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)C(C)C ZINC000322638898 970913261 /nfs/dbraw/zinc/91/32/61/970913261.db2.gz TUTSCZYNVUQDGO-UHFFFAOYSA-N -1 0 328.359 3.713 20 0 EHADRM CCn1nc(C(C)C)cc1C(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000323844923 971046057 /nfs/dbraw/zinc/04/60/57/971046057.db2.gz ADNZLCXSFWJUPP-UHFFFAOYSA-N -1 0 347.440 3.527 20 0 EHADRM Cc1c(Cl)cccc1C(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC000324105229 971085204 /nfs/dbraw/zinc/08/52/04/971085204.db2.gz PKKRMOJKTBMVOO-UHFFFAOYSA-N -1 0 329.783 3.940 20 0 EHADRM O=C([O-])Cc1ccccc1COc1cc(F)c([N+](=O)[O-])cc1Cl ZINC000324266338 971103268 /nfs/dbraw/zinc/10/32/68/971103268.db2.gz KJIONCKAOZLVEI-UHFFFAOYSA-N -1 0 339.706 3.593 20 0 EHADRM CC(C)c1cccc(NC(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)c1 ZINC000324498186 971125661 /nfs/dbraw/zinc/12/56/61/971125661.db2.gz NFVAGMJZOIXLOZ-HNNXBMFYSA-N -1 0 344.333 3.681 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2snc(Cl)c2Cl)c1 ZINC001602043937 971129886 /nfs/dbraw/zinc/12/98/86/971129886.db2.gz YYSLBTOBHBHSTI-UHFFFAOYSA-N -1 0 345.207 3.719 20 0 EHADRM CCC[C@@H](NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)C1CCC1 ZINC000324615727 971139720 /nfs/dbraw/zinc/13/97/20/971139720.db2.gz YSTGJGFNPKPPBZ-CYBMUJFWSA-N -1 0 326.343 3.753 20 0 EHADRM CC(C)c1ccccc1NC(=O)NCCc1ccccc1C(=O)[O-] ZINC000324797677 971158338 /nfs/dbraw/zinc/15/83/38/971158338.db2.gz MAHIUSHVRQYCHI-UHFFFAOYSA-N -1 0 326.396 3.872 20 0 EHADRM Cc1cc([C@H](C)NC(=O)NCCc2cccc(C(=O)[O-])c2)c(C)s1 ZINC000325031518 971177654 /nfs/dbraw/zinc/17/76/54/971177654.db2.gz JJAZJDXQODINJR-LBPRGKRZSA-N -1 0 346.452 3.666 20 0 EHADRM Cc1oc(CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1C(=O)[O-] ZINC000325140486 971190525 /nfs/dbraw/zinc/19/05/25/971190525.db2.gz ZKDZFTLMRRCPGG-UHFFFAOYSA-N -1 0 344.245 3.825 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1csc3ccccc13)CC2 ZINC000325340657 971205639 /nfs/dbraw/zinc/20/56/39/971205639.db2.gz IMOACMUYOLFSOT-UHFFFAOYSA-N -1 0 337.400 3.798 20 0 EHADRM CCOc1cccc(NC(=O)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC000325406206 971212763 /nfs/dbraw/zinc/21/27/63/971212763.db2.gz RPHHXACBXBMYLO-UHFFFAOYSA-N -1 0 328.368 3.747 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)CCOc2cccc(Cl)c2)c1 ZINC000325552322 971226180 /nfs/dbraw/zinc/22/61/80/971226180.db2.gz VKEPCSNSQJFACQ-UHFFFAOYSA-N -1 0 347.798 3.765 20 0 EHADRM CCCc1cc(C(=O)N2CCc3c(cccc3C(=O)[O-])C2)sc1C ZINC000325552106 971226189 /nfs/dbraw/zinc/22/61/89/971226189.db2.gz DSSSKAGOZZYZOR-UHFFFAOYSA-N -1 0 343.448 3.906 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000325590992 971229430 /nfs/dbraw/zinc/22/94/30/971229430.db2.gz BZYWICOSXAVDQZ-UHFFFAOYSA-N -1 0 337.297 3.975 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC000325671648 971235196 /nfs/dbraw/zinc/23/51/96/971235196.db2.gz OVZUBWMQAOEIQJ-GFCCVEGCSA-N -1 0 328.368 3.585 20 0 EHADRM CC(C)CC1(CNC(=O)N2CCC(CCC(=O)[O-])CC2)CCCC1 ZINC000325732260 971239358 /nfs/dbraw/zinc/23/93/58/971239358.db2.gz WNZWGIXLVJCFOR-UHFFFAOYSA-N -1 0 338.492 3.879 20 0 EHADRM COc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)c(C(=O)[O-])c1 ZINC000325865358 971249868 /nfs/dbraw/zinc/24/98/68/971249868.db2.gz JRXWYACKKPIZHG-UHFFFAOYSA-N -1 0 339.269 3.665 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)N2CC=C(C(C)(C)C)CC2)c1 ZINC000325866417 971250844 /nfs/dbraw/zinc/25/08/44/971250844.db2.gz APUUMCGUUZDIIT-UHFFFAOYSA-N -1 0 332.400 3.604 20 0 EHADRM CC12C[C@H]3C[C@@H](C1)CC(C(=O)N1CCC[C@H](CCC(=O)[O-])C1)(C3)C2 ZINC000326223989 971275776 /nfs/dbraw/zinc/27/57/76/971275776.db2.gz DZAINOLXJKMXLE-UALYNUFXSA-N -1 0 333.472 3.696 20 0 EHADRM CC(C)(C)c1cc(C(=O)Nc2cccc(CC(=O)[O-])c2)cc(Cl)n1 ZINC000326343422 971284877 /nfs/dbraw/zinc/28/48/77/971284877.db2.gz BHUQYYOTLAPETG-UHFFFAOYSA-N -1 0 346.814 3.912 20 0 EHADRM Cc1c(NC(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)cccc1C(=O)[O-] ZINC000326422787 971291848 /nfs/dbraw/zinc/29/18/48/971291848.db2.gz RNHYOSCYOVHIJD-GFCCVEGCSA-N -1 0 344.333 3.888 20 0 EHADRM CN(C(=O)c1ccc(F)c2ccccc12)C1(C(=O)[O-])CCCCC1 ZINC000326555961 971302913 /nfs/dbraw/zinc/30/29/13/971302913.db2.gz AOEFCSSFCVWNRT-UHFFFAOYSA-N -1 0 329.371 3.838 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OCc1ccc2ncccc2c1 ZINC000327257850 971379544 /nfs/dbraw/zinc/37/95/44/971379544.db2.gz CNPXXADDXQMSRV-TWGQIWQCSA-N -1 0 335.359 3.920 20 0 EHADRM CCc1ccc(NC(=O)c2cc(-c3ccccc3)no2)c(C(=O)[O-])c1 ZINC000327737842 971422745 /nfs/dbraw/zinc/42/27/45/971422745.db2.gz XBPXGYBAYPVEIM-UHFFFAOYSA-N -1 0 336.347 3.855 20 0 EHADRM CCOc1ccccc1NC(=O)CSCc1cccc(C(=O)[O-])c1 ZINC000001290556 948771857 /nfs/dbraw/zinc/77/18/57/948771857.db2.gz LGVCQWXAWLDLIR-UHFFFAOYSA-N -1 0 345.420 3.655 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)CSCc2cccc(Cl)c2)cc1 ZINC000013166354 948777672 /nfs/dbraw/zinc/77/76/72/948777672.db2.gz RRFMJHPRZMDWKI-UHFFFAOYSA-N -1 0 349.839 3.588 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(-c3ccccc3F)o2)ccc1O ZINC000033548488 948803376 /nfs/dbraw/zinc/80/33/76/948803376.db2.gz GSRFWCDFVCZDAL-UHFFFAOYSA-N -1 0 341.294 3.742 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])s1)c1ccccc1OC(F)F ZINC000345797841 971520094 /nfs/dbraw/zinc/52/00/94/971520094.db2.gz JGZWVLUOQGGOBA-QMMMGPOBSA-N -1 0 341.335 3.539 20 0 EHADRM C[C@H](C(=O)NC[C@H](C(=O)[O-])c1ccccc1)c1cc2ccccc2o1 ZINC000345996214 971520982 /nfs/dbraw/zinc/52/09/82/971520982.db2.gz OHYRAILCELEHIE-BBRMVZONSA-N -1 0 337.375 3.521 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2csc(-c3ccccc3)n2)cc1 ZINC000347135144 971521657 /nfs/dbraw/zinc/52/16/57/971521657.db2.gz MMSXPSRVEHSLKO-UHFFFAOYSA-N -1 0 338.388 3.690 20 0 EHADRM CCCC[C@@H](NC(=O)[C@H](C)Sc1ccccc1Cl)C(=O)[O-] ZINC000347256893 971522049 /nfs/dbraw/zinc/52/20/49/971522049.db2.gz HDJIJVTYEODKSE-CMPLNLGQSA-N -1 0 329.849 3.580 20 0 EHADRM CCC[C@H](NC(=O)c1csc(-c2ccc(C(C)C)cc2)n1)C(=O)[O-] ZINC000347392643 971525137 /nfs/dbraw/zinc/52/51/37/971525137.db2.gz ZPNYKLQZXVHGTN-AWEZNQCLSA-N -1 0 346.452 3.917 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N[C@@H](CC3CC3)C(=O)[O-])c(F)c2)cc1 ZINC000347501163 971526483 /nfs/dbraw/zinc/52/64/83/971526483.db2.gz QHYFAPVKKGRARH-SFHVURJKSA-N -1 0 341.382 3.784 20 0 EHADRM Cc1ccc(C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)c(C)c1 ZINC000347993651 971527500 /nfs/dbraw/zinc/52/75/00/971527500.db2.gz INTWORQASSSLHQ-UHFFFAOYSA-N -1 0 331.799 3.684 20 0 EHADRM C[C@H](CNC(=O)c1cc(C(=O)[O-])co1)c1c(Cl)cccc1Cl ZINC000352386357 971528849 /nfs/dbraw/zinc/52/88/49/971528849.db2.gz WURVLHONMHTQEE-MRVPVSSYSA-N -1 0 342.178 3.818 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)[C@@H](C)Cc2cccc(Cl)c2)C1 ZINC001589583836 949020246 /nfs/dbraw/zinc/02/02/46/949020246.db2.gz FECLACSDSHBUSO-UGSOOPFHSA-N -1 0 337.847 3.622 20 0 EHADRM CC[C@](C)(NC(=O)c1sc(-c2ccc(C)cc2C)nc1C)C(=O)[O-] ZINC000362336723 971534634 /nfs/dbraw/zinc/53/46/34/971534634.db2.gz XGOXQUCVOXSTTL-SFHVURJKSA-N -1 0 346.452 3.718 20 0 EHADRM CC[C@H](c1ccccc1)N(C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1)C(C)C ZINC001589585439 949043142 /nfs/dbraw/zinc/04/31/42/949043142.db2.gz IXDDEMQECGBACM-OKZBNKHCSA-N -1 0 347.455 3.645 20 0 EHADRM CC[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1CC)C(=O)[O-] ZINC001589586209 949052057 /nfs/dbraw/zinc/05/20/57/949052057.db2.gz POWJYXXYYTWFBH-NSHDSACASA-N -1 0 325.821 3.574 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001589586640 949056118 /nfs/dbraw/zinc/05/61/18/949056118.db2.gz COBWUNIGNGZZJT-INIZCTEOSA-N -1 0 342.395 3.699 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@@H](c2ccccc2)C(C)C)C1 ZINC001589596271 949147864 /nfs/dbraw/zinc/14/78/64/949147864.db2.gz JJWIFRNZNXAAMZ-VQIMIIECSA-N -1 0 332.444 3.670 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2ccc(F)cc2SC)C1 ZINC001589598974 949193465 /nfs/dbraw/zinc/19/34/65/949193465.db2.gz ZJUVWFATZYOAJZ-MRXNPFEDSA-N -1 0 340.420 3.656 20 0 EHADRM O=C([O-])c1ccc(C(=O)Oc2ccc(F)c(Br)c2)cc1 ZINC001595225135 949283086 /nfs/dbraw/zinc/28/30/86/949283086.db2.gz HQBXPXZMAWQJLR-UHFFFAOYSA-N -1 0 339.116 3.506 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N(CC2CC2)c2cccc(F)c2)o1 ZINC001595226079 949292817 /nfs/dbraw/zinc/29/28/17/949292817.db2.gz UCTHRBJBGFRBQN-CLFYSBASSA-N -1 0 329.327 3.573 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC001595237993 949422554 /nfs/dbraw/zinc/42/25/54/949422554.db2.gz CLOKADADZFGZHT-INIZCTEOSA-N -1 0 341.794 3.657 20 0 EHADRM CC[C@@H]1CCc2c(sc(NC(=O)CCCCOC)c2C(=O)[O-])C1 ZINC001589622637 949437094 /nfs/dbraw/zinc/43/70/94/949437094.db2.gz KEMANGVUVBTPEV-LLVKDONJSA-N -1 0 339.457 3.716 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2nc3cc(F)c(F)cc3s2)c1 ZINC001595241893 949465731 /nfs/dbraw/zinc/46/57/31/949465731.db2.gz MDICWKBPNMZYOU-UHFFFAOYSA-N -1 0 334.303 3.525 20 0 EHADRM Cc1ccc(C(=O)NC[C@@H](C)C(=O)[O-])c(Sc2ccccc2)c1 ZINC000190965619 949503970 /nfs/dbraw/zinc/50/39/70/949503970.db2.gz ORHIGVSWZXGSME-CYBMUJFWSA-N -1 0 329.421 3.597 20 0 EHADRM CC[C@@H]1Cc2ccccc2CN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC001589627254 949505614 /nfs/dbraw/zinc/50/56/14/949505614.db2.gz KPMVGSOXRLYWFN-QGZVFWFLSA-N -1 0 338.407 3.683 20 0 EHADRM CCC[C@H](CCc1ccccc1)NC(=O)Nc1cccnc1C(=O)[O-] ZINC001589632038 949559564 /nfs/dbraw/zinc/55/95/64/949559564.db2.gz HWLHZALJPSUMSH-OAHLLOKOSA-N -1 0 341.411 3.703 20 0 EHADRM CCC[C@@H](NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C(C)(C)C ZINC001589633521 949574980 /nfs/dbraw/zinc/57/49/80/949574980.db2.gz BQZGEHLYJKGOIQ-IGQOVBAYSA-N -1 0 326.481 3.636 20 0 EHADRM CCC[C@@](C)(NC(=O)Nc1cc(C(=O)[O-])ccn1)c1ccccc1 ZINC001589634178 949589276 /nfs/dbraw/zinc/58/92/76/949589276.db2.gz MPDOCDJRLYDNEG-GOSISDBHSA-N -1 0 327.384 3.617 20 0 EHADRM CCC[C@@H]1CCCC[C@H]1NC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001589637890 949637014 /nfs/dbraw/zinc/63/70/14/949637014.db2.gz UFKCZEXYOYDWNN-ZTFGCOKTSA-N -1 0 344.455 3.739 20 0 EHADRM CCCCC[C@@](C)(CC)C(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001589642371 949705918 /nfs/dbraw/zinc/70/59/18/949705918.db2.gz QMGZREOLOQAUTE-CUCAAIEXSA-N -1 0 339.476 3.512 20 0 EHADRM CCCCCCO[C@H](C)C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC001589645816 949732344 /nfs/dbraw/zinc/73/23/44/949732344.db2.gz SCVPPVGQNSKLBT-ZBFHGGJFSA-N -1 0 333.428 3.577 20 0 EHADRM CCCCNc1ccccc1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001589650682 949778484 /nfs/dbraw/zinc/77/84/84/949778484.db2.gz UTYOUYRQYZMRBL-UHFFFAOYSA-N -1 0 326.396 3.527 20 0 EHADRM CCCCO[C@@H]1C[C@H](NC(=O)C2(C(=O)[O-])CCCCCC2)C1(C)C ZINC001589652973 949792183 /nfs/dbraw/zinc/79/21/83/949792183.db2.gz OTYGZEUGKDHTGI-LSDHHAIUSA-N -1 0 339.476 3.512 20 0 EHADRM O=C([O-])c1cncc(NC(=O)c2cc(Cl)cc(C(F)(F)F)c2)c1 ZINC001595271844 949839071 /nfs/dbraw/zinc/83/90/71/949839071.db2.gz RINGBGNWPAWFIF-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)N1CCCC[C@H]1c1ccccc1 ZINC001595272951 949855447 /nfs/dbraw/zinc/85/54/47/949855447.db2.gz BWTVGQBHWNTSRG-HNNXBMFYSA-N -1 0 325.368 3.539 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@H]1C[C@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000236618570 949927323 /nfs/dbraw/zinc/92/73/23/949927323.db2.gz OREYSFHCBLADTK-BZSNNMDCSA-N -1 0 325.408 3.559 20 0 EHADRM CCCOc1ccc(CCC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000236794533 949936815 /nfs/dbraw/zinc/93/68/15/949936815.db2.gz JQXCFLJIMIJXHX-KRWDZBQOSA-N -1 0 347.455 3.654 20 0 EHADRM Cc1ccc(C)c(OCCCCC(=O)NC(C)(C)CCC(=O)[O-])c1 ZINC000237529422 949964644 /nfs/dbraw/zinc/96/46/44/949964644.db2.gz KWXRDWWCSYNDMC-UHFFFAOYSA-N -1 0 335.444 3.612 20 0 EHADRM Cc1cc2occ(CC(=O)N3CCC[C@@H](CCC(=O)[O-])C3)c2cc1C ZINC000237914028 949978262 /nfs/dbraw/zinc/97/82/62/949978262.db2.gz KFBAEBGPWAXRTH-HNNXBMFYSA-N -1 0 343.423 3.696 20 0 EHADRM O=C([O-])Cc1sccc1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000379255640 971624674 /nfs/dbraw/zinc/62/46/74/971624674.db2.gz FBQLZNLRGNERQD-UHFFFAOYSA-N -1 0 330.192 3.934 20 0 EHADRM O=C([O-])CCCCCNC(=O)CCOc1ccc(Cl)cc1Cl ZINC000238140455 949994916 /nfs/dbraw/zinc/99/49/16/949994916.db2.gz LNUQXWWYKJCQSU-UHFFFAOYSA-N -1 0 348.226 3.524 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)c1 ZINC000262350526 950111422 /nfs/dbraw/zinc/11/14/22/950111422.db2.gz FBIXHCNJYZUUGN-CABCVRRESA-N -1 0 345.345 3.724 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000262916360 950187750 /nfs/dbraw/zinc/18/77/50/950187750.db2.gz JBRGFHXXCCNLKE-CMPLNLGQSA-N -1 0 341.860 3.635 20 0 EHADRM C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)CC[C@H]1C(=O)[O-] ZINC000263138776 950288838 /nfs/dbraw/zinc/28/88/38/950288838.db2.gz YGSDLFKZHYHRAI-SVYNMNNPSA-N -1 0 337.419 3.513 20 0 EHADRM Cc1cccc(Oc2ccccc2C(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000263221300 950332901 /nfs/dbraw/zinc/33/29/01/950332901.db2.gz YUKHSHHAHIMBOP-UHFFFAOYSA-N -1 0 339.391 3.724 20 0 EHADRM COc1ccc(-c2ccc(CNC(=O)CCCCC(=O)[O-])cc2)cc1 ZINC000263233366 950336413 /nfs/dbraw/zinc/33/64/13/950336413.db2.gz BEYRIEPODPMFQR-UHFFFAOYSA-N -1 0 341.407 3.623 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263302523 950356376 /nfs/dbraw/zinc/35/63/76/950356376.db2.gz GTOHFZUCHXQPHN-BNOWGMLFSA-N -1 0 344.411 3.554 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263372178 950412247 /nfs/dbraw/zinc/41/22/47/950412247.db2.gz VRRUMPSDWJAFBY-QWRGUYRKSA-N -1 0 341.860 3.635 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000263581493 950514618 /nfs/dbraw/zinc/51/46/18/950514618.db2.gz XGCLGRVJIPDAIP-ZHALLVOQSA-N -1 0 335.403 3.568 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC001602852584 971690892 /nfs/dbraw/zinc/69/08/92/971690892.db2.gz MTKUJNYKZGLSDQ-CYBMUJFWSA-N -1 0 344.238 3.625 20 0 EHADRM O=C([O-])CC1(C(=O)NC[C@H]2CCCC[C@H]2c2ccccc2)CCC1 ZINC001594974515 950906969 /nfs/dbraw/zinc/90/69/69/950906969.db2.gz QIKBIXQTKQDOBO-SJORKVTESA-N -1 0 329.440 3.722 20 0 EHADRM COc1ccc(CCC(=O)Nc2ccccc2C(=O)[O-])cc1Cl ZINC000320275711 950979576 /nfs/dbraw/zinc/97/95/76/950979576.db2.gz GBAMPWHTVYNCRU-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM Cc1ccc2[nH]c(SCCOc3ccccc3C(=O)[O-])nc2c1 ZINC000320307505 950982532 /nfs/dbraw/zinc/98/25/32/950982532.db2.gz TZJHMPLTFNHEJK-UHFFFAOYSA-N -1 0 328.393 3.741 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N[C@@H]2CCCc3sccc32)c1 ZINC000321396203 951014882 /nfs/dbraw/zinc/01/48/82/951014882.db2.gz XHQHDCKUGGVCFG-CQSZACIVSA-N -1 0 330.409 3.574 20 0 EHADRM Cc1ccc(SCCC(=O)Nc2cccnc2C(=O)[O-])cc1C ZINC000322511076 951031120 /nfs/dbraw/zinc/03/11/20/951031120.db2.gz FPJKQTRNRNCIQT-UHFFFAOYSA-N -1 0 330.409 3.518 20 0 EHADRM C[C@@H](CN(C)C(=O)Nc1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC000324611761 951072720 /nfs/dbraw/zinc/07/27/20/951072720.db2.gz OQQGPBSHQPTWMK-ZDUSSCGKSA-N -1 0 328.368 3.663 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc(Cl)c3ccccc3n2)C1 ZINC000324764716 951073776 /nfs/dbraw/zinc/07/37/76/951073776.db2.gz VNGJIGJJIRQDHO-SFHVURJKSA-N -1 0 346.814 3.605 20 0 EHADRM Cc1ccc(SCC(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000325416477 951084489 /nfs/dbraw/zinc/08/44/89/951084489.db2.gz VNCJEVYYTMNYIY-INIZCTEOSA-N -1 0 341.432 3.692 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)CCc1ccc(Cl)s1)C(=O)[O-] ZINC001602860957 971716866 /nfs/dbraw/zinc/71/68/66/971716866.db2.gz HZESCYATLIKOOR-LLVKDONJSA-N -1 0 331.865 3.730 20 0 EHADRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)Nc2cccc(-c3ccccc3)c2)CO1 ZINC001595006696 951208746 /nfs/dbraw/zinc/20/87/46/951208746.db2.gz OUBFDTXAWDUBAL-SJLPKXTDSA-N -1 0 339.391 3.562 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)C(F)(F)c1cccc(Cl)c1 ZINC001595008119 951229181 /nfs/dbraw/zinc/22/91/81/951229181.db2.gz DPPKFNRIWGRDAW-CYBMUJFWSA-N -1 0 345.773 3.678 20 0 EHADRM CCOc1c(Cl)cccc1NC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001592009186 951291613 /nfs/dbraw/zinc/29/16/13/951291613.db2.gz JOINROUWAWXHSJ-CYBMUJFWSA-N -1 0 325.792 3.568 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2OCc2ccccc2)cn1 ZINC000388248518 951327870 /nfs/dbraw/zinc/32/78/70/951327870.db2.gz GXTIDBNADSODGJ-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM CCOc1ccc(C[C@H](C)C(=O)NC2(C(=O)[O-])CCCCCC2)cc1 ZINC001592447674 951337016 /nfs/dbraw/zinc/33/70/16/951337016.db2.gz NQPLTABAZGYWKL-HNNXBMFYSA-N -1 0 347.455 3.558 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)C1CCC(C(F)(F)F)CC1 ZINC000392081164 951411722 /nfs/dbraw/zinc/41/17/22/951411722.db2.gz ZNIXENSBCUEZJY-ZFKITPQFSA-N -1 0 347.377 3.599 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)N2CCC3(CCCCC3)CC2)c1 ZINC000392199857 951414652 /nfs/dbraw/zinc/41/46/52/951414652.db2.gz FLUZOWDUCDMJKW-UHFFFAOYSA-N -1 0 330.428 3.641 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000397075048 951515270 /nfs/dbraw/zinc/51/52/70/951515270.db2.gz DPCXLTWMKRVIGW-MNOVXSKESA-N -1 0 344.333 3.731 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2c(F)ccc3ccncc32)c1 ZINC001595064427 951537250 /nfs/dbraw/zinc/53/72/50/951537250.db2.gz SNQZNDNQUULCDE-UHFFFAOYSA-N -1 0 338.338 3.643 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)N2CCSC3(CCC3)CC2)c1 ZINC001595065205 951540109 /nfs/dbraw/zinc/54/01/09/951540109.db2.gz HLNJAULKHPMRBK-UHFFFAOYSA-N -1 0 348.468 3.597 20 0 EHADRM O=C([O-])COc1ccc(C(=O)Oc2cccc(Cl)c2Cl)cc1 ZINC001595120217 951970371 /nfs/dbraw/zinc/97/03/71/951970371.db2.gz RPXVSMMXOIROSP-UHFFFAOYSA-N -1 0 341.146 3.676 20 0 EHADRM O=C([O-])Cc1cccc(NCc2cccc(F)c2OC(F)F)c1 ZINC001595132435 952043698 /nfs/dbraw/zinc/04/36/98/952043698.db2.gz BFHCKFIBSZFLAH-UHFFFAOYSA-N -1 0 325.286 3.666 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)N(C)[C@H](C)c2ccccc2)c1 ZINC000383842732 971898757 /nfs/dbraw/zinc/89/87/57/971898757.db2.gz OSXDGLVMRZPVBN-GFCCVEGCSA-N -1 0 328.368 3.618 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C2(c3cccc(F)c3)CCCCC2)C1 ZINC001589267839 953378957 /nfs/dbraw/zinc/37/89/57/953378957.db2.gz DWILBUOMXDGDNZ-LSDHHAIUSA-N -1 0 347.430 3.597 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)Nc1ncc(C2CCCCC2)s1 ZINC000417762943 953417232 /nfs/dbraw/zinc/41/72/32/953417232.db2.gz JOPJTNFJKRGETB-UHFFFAOYSA-N -1 0 325.434 3.519 20 0 EHADRM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424242416 953431783 /nfs/dbraw/zinc/43/17/83/953431783.db2.gz ZPTYBMWXKWLMNJ-AWEZNQCLSA-N -1 0 334.460 3.682 20 0 EHADRM CC(C)(CCNC(=O)N1CC2(CCCC2)c2cccc(F)c21)C(=O)[O-] ZINC000424408755 953473785 /nfs/dbraw/zinc/47/37/85/953473785.db2.gz VWKDBJJOXZWDPD-UHFFFAOYSA-N -1 0 348.418 3.668 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1)C(=O)[O-] ZINC000424425012 953481818 /nfs/dbraw/zinc/48/18/18/953481818.db2.gz PWMBJTWOGILQNX-USXIJHARSA-N -1 0 332.444 3.526 20 0 EHADRM CCC(CC)(CNC(=O)N1CC[C@H](C)C[C@H]1c1ccco1)C(=O)[O-] ZINC000424432859 953485896 /nfs/dbraw/zinc/48/58/96/953485896.db2.gz QXOZDYMUYXJNFX-KBPBESRZSA-N -1 0 336.432 3.653 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2cccc(-c3cscn3)c2)C1 ZINC000449140585 953512490 /nfs/dbraw/zinc/51/24/90/953512490.db2.gz NYCMUCZGWKYYOW-CYBMUJFWSA-N -1 0 344.436 3.527 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N[C@@H]2CCc3c2cccc3Cl)cc1 ZINC001594768873 953546133 /nfs/dbraw/zinc/54/61/33/953546133.db2.gz HVOIYRBKQFKMAV-MRXNPFEDSA-N -1 0 344.798 3.525 20 0 EHADRM CC[C@H](NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1cc(C)ccc1C ZINC000529227607 953557651 /nfs/dbraw/zinc/55/76/51/953557651.db2.gz UBFIKSSHHRHURQ-KMFMINBZSA-N -1 0 332.444 3.507 20 0 EHADRM C[C@H]1C[C@H](C(=O)Nc2sc3c(c2C(=O)[O-])COCC3)C[C@@H](C)C1 ZINC001589285589 953565340 /nfs/dbraw/zinc/56/53/40/953565340.db2.gz ZOKGXCAHAFDVGA-URLYPYJESA-N -1 0 337.441 3.530 20 0 EHADRM O=C([O-])CCC(=O)Nc1ccc(OCc2ccccc2Cl)cc1 ZINC000554070688 953581810 /nfs/dbraw/zinc/58/18/10/953581810.db2.gz YFGZDWSNCCQDTB-UHFFFAOYSA-N -1 0 333.771 3.722 20 0 EHADRM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)o1 ZINC001593637209 953615553 /nfs/dbraw/zinc/61/55/53/953615553.db2.gz NPXMRTHLVDRTQX-FQLMCAECSA-N -1 0 348.443 3.578 20 0 EHADRM Cc1cc2ccccc2c(NC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000570211459 953654535 /nfs/dbraw/zinc/65/45/35/953654535.db2.gz DYXFAJXSEZOQFT-XJKSGUPXSA-N -1 0 326.396 3.723 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)N(C)c1ccc(OCc2ccccc2)cc1 ZINC001602961065 971949506 /nfs/dbraw/zinc/94/95/06/971949506.db2.gz NMGOFNANYFZAII-GOSISDBHSA-N -1 0 341.407 3.585 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)c2cccnc2C2CC2)c1Cl ZINC001594803813 953762972 /nfs/dbraw/zinc/76/29/72/953762972.db2.gz KPYOMCJGTUFYHK-UHFFFAOYSA-N -1 0 334.734 3.702 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)NCCCCCC(=O)[O-] ZINC001589310439 953787431 /nfs/dbraw/zinc/78/74/31/953787431.db2.gz NNBSDSYWZOMXQY-OWCLPIDISA-N -1 0 326.481 3.639 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC001589310602 953790093 /nfs/dbraw/zinc/79/00/93/953790093.db2.gz TUZJXBJRVLRUGP-SUYBPPKGSA-N -1 0 349.427 3.506 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000626747980 953801986 /nfs/dbraw/zinc/80/19/86/953801986.db2.gz DHJJBALYAZNLFB-UBHSHLNASA-N -1 0 344.411 3.554 20 0 EHADRM CCC(C)(C)c1ccc(CNC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC000626758014 953811966 /nfs/dbraw/zinc/81/19/66/953811966.db2.gz KHIXOUUGORPNIV-YOEHRIQHSA-N -1 0 346.471 3.626 20 0 EHADRM CC(C)[C@@H]1C[C@H](NC(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)c2ccccc21 ZINC000626777241 953819541 /nfs/dbraw/zinc/81/95/41/953819541.db2.gz LRIMUQUGOZHDDV-KNCCTNLNSA-N -1 0 344.455 3.623 20 0 EHADRM C[C@@H]1CCC[C@H](N(C)C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)C1 ZINC001589315236 953830935 /nfs/dbraw/zinc/83/09/35/953830935.db2.gz CXYKCJJYMUPTCZ-OQUILHJVSA-N -1 0 330.428 3.520 20 0 EHADRM C[C@@H]1CCC[C@H](CNC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)[C@H]1C ZINC001589315892 953836170 /nfs/dbraw/zinc/83/61/70/953836170.db2.gz SHFUVDSUCFQPJC-NFBPQSOOSA-N -1 0 344.455 3.671 20 0 EHADRM Cc1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1C(F)(F)F ZINC000630157515 953842687 /nfs/dbraw/zinc/84/26/87/953842687.db2.gz FFHCPUQSRSGJMM-LBPRGKRZSA-N -1 0 343.345 3.731 20 0 EHADRM C[C@H]1CCCC[C@@H]1CC(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001589320187 953854523 /nfs/dbraw/zinc/85/45/23/953854523.db2.gz WRQJEYMUVVOLTQ-WDEREUQCSA-N -1 0 337.441 3.674 20 0 EHADRM CN(C(=O)[C@@H](C(=O)[O-])C(C)(C)C)c1ccc(-c2nccs2)cc1 ZINC001593676374 953931156 /nfs/dbraw/zinc/93/11/56/953931156.db2.gz MQLWAQNWVLRPPK-ZDUSSCGKSA-N -1 0 332.425 3.520 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)NC3(CC(=O)[O-])CCC3)ccc2o1 ZINC000649539886 954001410 /nfs/dbraw/zinc/00/14/10/954001410.db2.gz LIOIDHVMXCIUBQ-UHFFFAOYSA-N -1 0 345.399 3.644 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1nc(Cc2ccccc2)cs1)C1CCCC1 ZINC001594837233 954037368 /nfs/dbraw/zinc/03/73/68/954037368.db2.gz CUJNIXMXJHJYPV-OAHLLOKOSA-N -1 0 344.436 3.563 20 0 EHADRM Cc1ccc(-c2ncc(C(=O)N3[C@H](C)CC[C@@H]3C(=O)[O-])s2)c(C)c1 ZINC000653316638 954141722 /nfs/dbraw/zinc/14/17/22/954141722.db2.gz SXFGLYOMQSVPSB-TZMCWYRMSA-N -1 0 344.436 3.505 20 0 EHADRM CCCOc1cccc(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000653332353 954162608 /nfs/dbraw/zinc/16/26/08/954162608.db2.gz BOFIYJDBLDPYIT-ROUUACIJSA-N -1 0 339.391 3.518 20 0 EHADRM O=C([O-])C1(C(=O)N[C@H]2CCC[C@H](c3cccc(Cl)c3)C2)CCC1 ZINC001594854711 954215761 /nfs/dbraw/zinc/21/57/61/954215761.db2.gz UAXNPZRZPHNOCY-ZFWWWQNUSA-N -1 0 335.831 3.737 20 0 EHADRM CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000655884784 954266868 /nfs/dbraw/zinc/26/68/68/954266868.db2.gz PALCVAVCEDFUIA-CYBMUJFWSA-N -1 0 338.835 3.539 20 0 EHADRM CC(C)[C@H](CNC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC000655893147 954274125 /nfs/dbraw/zinc/27/41/25/954274125.db2.gz JDIVDQUWILTGSA-ZWKOTPCHSA-N -1 0 344.455 3.595 20 0 EHADRM CCN(Cc1ccc2ccccc2c1)C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000655892705 954274892 /nfs/dbraw/zinc/27/48/92/954274892.db2.gz XXKGDCXOERJHMD-SFHVURJKSA-N -1 0 342.439 3.728 20 0 EHADRM CC[C@H](C)[C@@H]1CCCCN1C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655905639 954287581 /nfs/dbraw/zinc/28/75/81/954287581.db2.gz YWCZRDDMJZNAHX-NPJQDHAYSA-N -1 0 338.492 3.732 20 0 EHADRM CN(CCC(=O)[O-])C(=O)Nc1ccc(-c2cccc(F)c2)c(F)c1 ZINC001593735988 954336624 /nfs/dbraw/zinc/33/66/24/954336624.db2.gz WRCBUJNDTLSTKH-UHFFFAOYSA-N -1 0 334.322 3.570 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2ccc(Cl)c3ncccc23)CC=CCC1 ZINC001594869708 954340146 /nfs/dbraw/zinc/34/01/46/954340146.db2.gz BOEHKOAVMILPJM-KRWDZBQOSA-N -1 0 330.771 3.638 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2cccc(-c3nccs3)c2)CC=CCC1 ZINC001594870954 954354814 /nfs/dbraw/zinc/35/48/14/954354814.db2.gz HBGAHTANZCXTTI-QGZVFWFLSA-N -1 0 328.393 3.560 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cc3cc(Cl)ccc3s2)C1 ZINC000659764818 954365462 /nfs/dbraw/zinc/36/54/62/954365462.db2.gz NPKJJJWCTXZYKX-MWLCHTKSSA-N -1 0 337.828 3.738 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)CC1CCC(C(F)(F)F)CC1 ZINC000659782394 954372680 /nfs/dbraw/zinc/37/26/80/954372680.db2.gz SZLIZYKPRCDICA-UHFFFAOYSA-N -1 0 337.382 3.705 20 0 EHADRM CN(CCCC(=O)[O-])c1oc(-c2ccccc2)nc1C(F)(F)F ZINC001593747895 954393257 /nfs/dbraw/zinc/39/32/57/954393257.db2.gz LTDFMDDRJQKNRR-UHFFFAOYSA-N -1 0 328.290 3.661 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(c2ncnc3sc4c(c32)CCCC4)C1 ZINC000662886979 954400136 /nfs/dbraw/zinc/40/01/36/954400136.db2.gz QPLMVOMBBSQUOM-GFCCVEGCSA-N -1 0 345.468 3.651 20 0 EHADRM O=C([O-])C1(CCSc2nncn2-c2cccc(Cl)c2)CCC1 ZINC001594879518 954408458 /nfs/dbraw/zinc/40/84/58/954408458.db2.gz IJLNVIMCCATTKG-UHFFFAOYSA-N -1 0 337.832 3.658 20 0 EHADRM C[C@H](NC(=O)[C@H](C(=O)[O-])C(C)(C)C)c1ccc(-c2ccncc2)cc1 ZINC000663041427 954415130 /nfs/dbraw/zinc/41/51/30/954415130.db2.gz XUTMPEBPQFXUCL-SUMWQHHRSA-N -1 0 340.423 3.673 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000663078358 954454845 /nfs/dbraw/zinc/45/48/45/954454845.db2.gz YBFNBAJCEQWFLT-MRXNPFEDSA-N -1 0 339.391 3.603 20 0 EHADRM Cc1ccc(-c2nnc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)s2)c(C)c1 ZINC000663086902 954466892 /nfs/dbraw/zinc/46/68/92/954466892.db2.gz QJZZREKHBZFPDV-LBPRGKRZSA-N -1 0 347.440 3.507 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000663098383 954482629 /nfs/dbraw/zinc/48/26/29/954482629.db2.gz QYMRAITUSBAZIM-OAHLLOKOSA-N -1 0 328.368 3.559 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1cccc(F)c1Cl)CC(=O)[O-] ZINC000663357982 954542713 /nfs/dbraw/zinc/54/27/13/954542713.db2.gz KRLUWXWVDFYJHF-JTQLQIEISA-N -1 0 330.787 3.738 20 0 EHADRM C[C@H]1CCN(C(=O)NCc2cccc(C(=O)[O-])c2)[C@@H](c2ccco2)C1 ZINC000666562562 954559755 /nfs/dbraw/zinc/55/97/55/954559755.db2.gz MEPMYXMAPMVONF-XJKSGUPXSA-N -1 0 342.395 3.661 20 0 EHADRM C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)CCC(=O)[O-])C1CC1 ZINC000678974723 954587735 /nfs/dbraw/zinc/58/77/35/954587735.db2.gz CUCKYDYZCNUJBP-SNVBAGLBSA-N -1 0 329.318 3.622 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)N2CCCCCCCC2)c2ccccc21 ZINC001594899263 954604825 /nfs/dbraw/zinc/60/48/25/954604825.db2.gz BGZYZEZLOJMRHF-IAGOWNOFSA-N -1 0 330.428 3.665 20 0 EHADRM CC[C@@H](C(=O)OCc1ccc(C(=O)[O-])cc1)c1ccc(OC)cc1 ZINC001589447752 954779965 /nfs/dbraw/zinc/77/99/65/954779965.db2.gz OIXNAZGNDKEQFW-QGZVFWFLSA-N -1 0 328.364 3.630 20 0 EHADRM O=C([O-])[C@H]1CCN(Cc2cccc3c2OC(F)(F)O3)c2ccccc21 ZINC001594933964 954843123 /nfs/dbraw/zinc/84/31/23/954843123.db2.gz MRUHMIGDVHAGST-ZDUSSCGKSA-N -1 0 347.317 3.587 20 0 EHADRM O=C([O-])C1CCN(c2nc(Cl)c(C(F)(F)F)cc2Cl)CC1 ZINC001594939781 954873487 /nfs/dbraw/zinc/87/34/87/954873487.db2.gz LJDXTCNHPZRVCT-UHFFFAOYSA-N -1 0 343.132 3.708 20 0 EHADRM CC[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC001589463540 954875340 /nfs/dbraw/zinc/87/53/40/954875340.db2.gz BAZHWQSANQHKGF-SCLBCKFNSA-N -1 0 329.371 3.652 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C\C(=O)N1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC001589464437 954889881 /nfs/dbraw/zinc/88/98/81/954889881.db2.gz PTZDFSFRMSNMRM-XZXAOZMOSA-N -1 0 345.439 3.731 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N1CCc2oc(-c3ccccc3)cc2C1 ZINC001589474585 954952453 /nfs/dbraw/zinc/95/24/53/954952453.db2.gz ZVWSKEGYSOAOGA-UHFFFAOYSA-N -1 0 341.407 3.722 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc2[nH]c(-c3ccco3)nc2c1 ZINC001589480424 954969129 /nfs/dbraw/zinc/96/91/29/954969129.db2.gz UUTUFQQLYIOOHW-UHFFFAOYSA-N -1 0 341.367 3.652 20 0 EHADRM CCC(CC)(CNC(=O)C[C@@H](c1cccs1)n1cccc1)C(=O)[O-] ZINC001589488136 954998226 /nfs/dbraw/zinc/99/82/26/954998226.db2.gz XEVZSKMNRDVBHM-AWEZNQCLSA-N -1 0 348.468 3.536 20 0 EHADRM CCC(CC)(CNC(=O)N[C@@H](C)c1c(F)cccc1Cl)C(=O)[O-] ZINC001589489331 955009211 /nfs/dbraw/zinc/00/92/11/955009211.db2.gz BJTGEJOIMRCJFB-JTQLQIEISA-N -1 0 344.814 3.730 20 0 EHADRM CCC(CC)(CNC(=O)NC[C@]1(c2ccccc2)CC1(C)C)C(=O)[O-] ZINC001589494123 955016730 /nfs/dbraw/zinc/01/67/30/955016730.db2.gz YVJWMQDPYWLXDL-FQEVSTJZSA-N -1 0 346.471 3.545 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)N2CC3(CCCC3)[C@H]2c2ccco2)co1 ZINC001594964030 955032616 /nfs/dbraw/zinc/03/26/16/955032616.db2.gz BVEVRJDHUYBINA-FUTAKVPZSA-N -1 0 341.363 3.728 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)[C@H](F)CC1CCCCC1 ZINC001594966127 955057528 /nfs/dbraw/zinc/05/75/28/955057528.db2.gz UWUYXUSBGXBQAV-SJORKVTESA-N -1 0 333.403 3.506 20 0 EHADRM CC[C@H](CNC(=O)CCCOc1ccc(C(C)(C)C)cc1C)C(=O)[O-] ZINC001589524925 955102829 /nfs/dbraw/zinc/10/28/29/955102829.db2.gz ZCFOLZZRCWYEGO-OAHLLOKOSA-N -1 0 349.471 3.679 20 0 EHADRM CC[C@H](CNC(=O)c1cc(Cl)ccc1OC1CCCC1)C(=O)[O-] ZINC001589548966 955206813 /nfs/dbraw/zinc/20/68/13/955206813.db2.gz BFDRUECLKMLDLY-LLVKDONJSA-N -1 0 339.819 3.502 20 0 EHADRM C/C(=C/C(=O)N[C@H](Cc1ccccc1)C(=O)[O-])c1cccc(Cl)c1 ZINC000766937571 955315619 /nfs/dbraw/zinc/31/56/19/955315619.db2.gz ALXDFPUGUOECEW-OJNOIJSXSA-N -1 0 343.810 3.555 20 0 EHADRM Cn1cc(-c2csc(NC(=O)CC3=CCCCC3)c2C(=O)[O-])cn1 ZINC001594523146 955470392 /nfs/dbraw/zinc/47/03/92/955470392.db2.gz NAZAWMFACNELTB-UHFFFAOYSA-N -1 0 345.424 3.676 20 0 EHADRM CC(C)C[C@H](CNC(=O)N(C)[C@@H](C)C1CCCCC1)CC(=O)[O-] ZINC001603042255 972105209 /nfs/dbraw/zinc/10/52/09/972105209.db2.gz NIBLLNCMUHJFBM-GJZGRUSLSA-N -1 0 326.481 3.734 20 0 EHADRM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000833616817 955556911 /nfs/dbraw/zinc/55/69/11/955556911.db2.gz HTKZJGMQVROBDI-FZKQIMNGSA-N -1 0 338.407 3.508 20 0 EHADRM CC(C)c1nn(Cc2ccccc2)c(Cl)c1CN(C)CCC(=O)[O-] ZINC000840997177 955584130 /nfs/dbraw/zinc/58/41/30/955584130.db2.gz KVXXTKMOANFPBA-UHFFFAOYSA-N -1 0 349.862 3.615 20 0 EHADRM C[C@](CNC(=O)NCCCC1CCCCC1)(C(=O)[O-])c1ccccc1 ZINC001589054264 955683763 /nfs/dbraw/zinc/68/37/63/955683763.db2.gz VAHAJXBLEZFEQV-HXUWFJFHSA-N -1 0 346.471 3.689 20 0 EHADRM O=C([O-])COc1cccc(C(=O)N2CCC(C3CCCCC3)CC2)c1 ZINC000846123912 955687025 /nfs/dbraw/zinc/68/70/25/955687025.db2.gz CHRCMNIGIUYDDM-UHFFFAOYSA-N -1 0 345.439 3.583 20 0 EHADRM CC(C)N(C)c1ccc(NC(=O)c2coc(/C=C\C(=O)[O-])c2)cc1F ZINC001603059771 972128237 /nfs/dbraw/zinc/12/82/37/972128237.db2.gz ZVCZWKQPOOWIJP-ALCCZGGFSA-N -1 0 346.358 3.613 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001589080571 955848658 /nfs/dbraw/zinc/84/86/58/955848658.db2.gz GAJDUSAAXHAJCQ-BZNIZROVSA-N -1 0 349.789 3.600 20 0 EHADRM C[C@H](Cc1ccccc1)n1cccc1C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001589080847 955853275 /nfs/dbraw/zinc/85/32/75/955853275.db2.gz VTBWNWPQZIEOLA-CQSZACIVSA-N -1 0 349.390 3.637 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)[C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000852954414 955880440 /nfs/dbraw/zinc/88/04/40/955880440.db2.gz YJTDKCINWXAZDO-ZWKOTPCHSA-N -1 0 329.440 3.674 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC000864102438 955932667 /nfs/dbraw/zinc/93/26/67/955932667.db2.gz AUXGPMRFEQKRPS-PXUDHTSWSA-N -1 0 325.364 3.663 20 0 EHADRM C[C@@H](CCc1ccc(F)cc1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000864126991 955951841 /nfs/dbraw/zinc/95/18/41/955951841.db2.gz WYFDUADQZOIWKO-ZDUSSCGKSA-N -1 0 329.371 3.660 20 0 EHADRM O=C(/C=C/c1ccc(C(=O)[O-])o1)N[C@H](c1ccccc1)C1CCC1 ZINC000864128447 955953377 /nfs/dbraw/zinc/95/33/77/955953377.db2.gz HEBPGYQFSKSVIT-NCUBBLFSSA-N -1 0 325.364 3.649 20 0 EHADRM O=C(/C=C\c1ccc(C(=O)[O-])o1)N[C@H](c1ccccc1)C1CCC1 ZINC000864128448 955953526 /nfs/dbraw/zinc/95/35/26/955953526.db2.gz HEBPGYQFSKSVIT-SIKDUDHDSA-N -1 0 325.364 3.649 20 0 EHADRM CC(C)C[C@@H](C)n1nccc1NC(=O)NCc1ccccc1C(=O)[O-] ZINC000864602460 956002951 /nfs/dbraw/zinc/00/29/51/956002951.db2.gz WIKXMSLMKDQRGM-CYBMUJFWSA-N -1 0 344.415 3.510 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccc(F)c(C(F)F)c1)C(=O)[O-] ZINC000864606241 956007502 /nfs/dbraw/zinc/00/75/02/956007502.db2.gz BQWSJASXPBYCOE-SECBINFHSA-N -1 0 332.322 3.632 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000899311967 956283359 /nfs/dbraw/zinc/28/33/59/956283359.db2.gz UWUSKNGBNKKKIN-CJNGLKHVSA-N -1 0 334.416 3.645 20 0 EHADRM COc1cc(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)cc2ccccc21 ZINC000899318553 956287957 /nfs/dbraw/zinc/28/79/57/956287957.db2.gz VLPWBEXOVYHCKV-CYBMUJFWSA-N -1 0 342.395 3.567 20 0 EHADRM C[C@@H]1CN(C(=O)c2coc(/C=C\C(=O)[O-])c2)CC[C@H]1c1ccccc1 ZINC000901598093 956363377 /nfs/dbraw/zinc/36/33/77/956363377.db2.gz ALXGCZONWNDQLE-IEHAEYMASA-N -1 0 339.391 3.643 20 0 EHADRM CO[C@@H]1CCC[C@H](CC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)C1 ZINC001593949731 956365468 /nfs/dbraw/zinc/36/54/68/956365468.db2.gz LQAQODYCYYOWEW-VHSXEESVSA-N -1 0 343.782 3.711 20 0 EHADRM CC(C)c1nc2cc(NC(=O)Nc3cccnc3C(=O)[O-])ccc2o1 ZINC001603107103 972183082 /nfs/dbraw/zinc/18/30/82/972183082.db2.gz NIJZDNDTGNLXJB-UHFFFAOYSA-N -1 0 340.339 3.688 20 0 EHADRM C[C@@H](SCC(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC001589169012 956451670 /nfs/dbraw/zinc/45/16/70/956451670.db2.gz AYTDPHCMPLNGON-GFCCVEGCSA-N -1 0 331.393 3.624 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001589174529 956480189 /nfs/dbraw/zinc/48/01/89/956480189.db2.gz LBKWRUAGRJUGLN-QXEWZRGKSA-N -1 0 345.226 3.559 20 0 EHADRM CCCN(C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1)[C@H](CC)c1ccccc1 ZINC000901858544 956505488 /nfs/dbraw/zinc/50/54/88/956505488.db2.gz ITLVPYBXXJUBPX-RCCFBDPRSA-N -1 0 347.455 3.646 20 0 EHADRM Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000902018073 956610772 /nfs/dbraw/zinc/61/07/72/956610772.db2.gz SSWFCNBLVUXDBI-ZSYWTGECSA-N -1 0 335.403 3.528 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N[C@@H](CC2CC2)c2ccccc2)o1 ZINC001594670005 956611300 /nfs/dbraw/zinc/61/13/00/956611300.db2.gz KPJVKRKVQAOQSS-SOGBHIHOSA-N -1 0 325.364 3.649 20 0 EHADRM O=C([O-])c1ccc(NC(=O)/C=C\c2ccsc2C(F)(F)F)nc1 ZINC001594674213 956643367 /nfs/dbraw/zinc/64/33/67/956643367.db2.gz DIBYBCUUAIAKAT-RQOWECAXSA-N -1 0 342.298 3.512 20 0 EHADRM O=C(/C=C/c1ccc2ccccc2n1)NC1(C(=O)[O-])CCCCCC1 ZINC001594675299 956653985 /nfs/dbraw/zinc/65/39/85/956653985.db2.gz SQDOITOYBJENLM-VAWYXSNFSA-N -1 0 338.407 3.542 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC001589205273 956660701 /nfs/dbraw/zinc/66/07/01/956660701.db2.gz TZKDZONAYJZDRK-DZGCQCFKSA-N -1 0 347.430 3.715 20 0 EHADRM CC1(C)C(c2cc(NC(=O)c3ccc(C(=O)[O-])cc3)n[nH]2)C1(C)C ZINC001589210147 956682745 /nfs/dbraw/zinc/68/27/45/956682745.db2.gz XRQNBUVVGUVYER-UHFFFAOYSA-N -1 0 327.384 3.510 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC001589219337 956755209 /nfs/dbraw/zinc/75/52/09/956755209.db2.gz MLQHIWTVHXHADL-HXUWFJFHSA-N -1 0 349.390 3.669 20 0 EHADRM CC1(C)CC[C@H](NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)[C@H](c2ccccc2)C1 ZINC001589224712 956784765 /nfs/dbraw/zinc/78/47/65/956784765.db2.gz NYLPLLABJGKAKN-YVSFHVDLSA-N -1 0 344.455 3.511 20 0 EHADRM O=C([O-])c1ccc(CNc2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)s1 ZINC000903686280 956865595 /nfs/dbraw/zinc/86/55/95/956865595.db2.gz GSZJARRNGFSLCG-JKSUJKDBSA-N -1 0 347.436 3.741 20 0 EHADRM O=C([O-])c1ccc(OCc2c(F)cccc2Cl)c([N+](=O)[O-])c1 ZINC000013053725 956915979 /nfs/dbraw/zinc/91/59/79/956915979.db2.gz NOFGACVJHZHXPQ-UHFFFAOYSA-N -1 0 325.679 3.665 20 0 EHADRM Cc1cccc(NC(=O)COc2ccc(Cl)cc2C(=O)[O-])c1C ZINC000013083425 956932816 /nfs/dbraw/zinc/93/28/16/956932816.db2.gz LBLCXEHSMCMMJK-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM CCOc1c(Cl)cc(C(=O)Nc2ccccc2C(=O)[O-])cc1OC ZINC000013166067 956947220 /nfs/dbraw/zinc/94/72/20/956947220.db2.gz XTJSXGWDTGWPEV-UHFFFAOYSA-N -1 0 349.770 3.698 20 0 EHADRM O=C([O-])C1(NC(=O)C2(Cc3ccc(Cl)cc3)CC2)CCCCC1 ZINC001594721392 956970738 /nfs/dbraw/zinc/97/07/38/956970738.db2.gz QAJPYEQOSMUOSV-UHFFFAOYSA-N -1 0 335.831 3.566 20 0 EHADRM Cc1ccc(F)c2oc(C(=O)N3CCC(CCC(=O)[O-])CC3)cc21 ZINC000907618166 956978705 /nfs/dbraw/zinc/97/87/05/956978705.db2.gz ZAGLYXMBWWUBPR-UHFFFAOYSA-N -1 0 333.359 3.597 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)c2cccc(-c3c(F)cccc3F)c2)C1 ZINC000908599887 956990502 /nfs/dbraw/zinc/99/05/02/956990502.db2.gz YGOOYQOKMQLNLT-CQSZACIVSA-N -1 0 345.345 3.569 20 0 EHADRM CC(C)(C)c1ccc([C@H](O)CCC(=O)NC(C)(C)CCC(=O)[O-])cc1 ZINC000908948914 956995613 /nfs/dbraw/zinc/99/56/13/956995613.db2.gz UYDPTMOOHZPZGV-MRXNPFEDSA-N -1 0 349.471 3.557 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Cc1ccc2ccccc2c1)c1cccs1 ZINC000013388586 957041078 /nfs/dbraw/zinc/04/10/78/957041078.db2.gz GUSNETNBJNYNEI-INIZCTEOSA-N -1 0 339.416 3.776 20 0 EHADRM CC(C)COc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000013388689 957041561 /nfs/dbraw/zinc/04/15/61/957041561.db2.gz DGUXJBHNKUHBCT-OAHLLOKOSA-N -1 0 347.436 3.729 20 0 EHADRM CSc1ccccc1NC(=O)[C@H](C)Oc1ccc(C(=O)[O-])cc1 ZINC000013412916 957055380 /nfs/dbraw/zinc/05/53/80/957055380.db2.gz ONMAUQOBNOIBEY-NSHDSACASA-N -1 0 331.393 3.513 20 0 EHADRM CCOc1cc(NC(=O)N2CCC[C@@](CC)(C(=O)[O-])C2)ccc1C ZINC000926014024 957138450 /nfs/dbraw/zinc/13/84/50/957138450.db2.gz YDNCTOJKEVLFSU-GOSISDBHSA-N -1 0 334.416 3.502 20 0 EHADRM O=C([O-])c1ccc(CN2CCO[C@@H](c3ccc(Cl)s3)C2)cc1 ZINC001118300490 957166786 /nfs/dbraw/zinc/16/67/86/957166786.db2.gz VEMKLUMPOKJQEB-CYBMUJFWSA-N -1 0 337.828 3.673 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000032081876 957172164 /nfs/dbraw/zinc/17/21/64/957172164.db2.gz JOSUMNFOIPUIHI-UHFFFAOYSA-N -1 0 347.436 3.693 20 0 EHADRM O=C([O-])c1sccc1NC(=O)c1cccc(OC(F)(F)F)c1 ZINC000389835794 972250855 /nfs/dbraw/zinc/25/08/55/972250855.db2.gz XCFMIRUGAYFGIO-UHFFFAOYSA-N -1 0 331.271 3.597 20 0 EHADRM CCC[C@](C)(NC(=O)[C@H](C)Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000036338188 957231205 /nfs/dbraw/zinc/23/12/05/957231205.db2.gz OHOKYZWUUWTLSM-BONVTDFDSA-N -1 0 329.849 3.580 20 0 EHADRM CCn1cc(Cl)cc1C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000036856478 957242186 /nfs/dbraw/zinc/24/21/86/957242186.db2.gz MTBHOXYHXXDPMB-UHFFFAOYSA-N -1 0 327.167 3.765 20 0 EHADRM Cc1ccc(CNC(=O)CCCC(=O)[O-])c(O[C@H](C)CC(C)C)c1 ZINC001326692307 957328141 /nfs/dbraw/zinc/32/81/41/957328141.db2.gz GVMUATQVJMNPQT-OAHLLOKOSA-N -1 0 335.444 3.680 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc(-c3ccccc3)s2)C1 ZINC001327827071 957349966 /nfs/dbraw/zinc/34/99/66/957349966.db2.gz YQUJJXYGWXWQBU-TZMCWYRMSA-N -1 0 329.421 3.598 20 0 EHADRM Cc1oc(CNC(=O)c2ccc(Cl)c(Cl)c2)cc1C(=O)[O-] ZINC000038059717 957354598 /nfs/dbraw/zinc/35/45/98/957354598.db2.gz UTRVJEBYMFDYBE-UHFFFAOYSA-N -1 0 328.151 3.523 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CN(C)Cc1ccccc1Br ZINC000051361542 957505499 /nfs/dbraw/zinc/50/54/99/957505499.db2.gz BOKGBHWIKZVABT-UHFFFAOYSA-N -1 0 338.201 3.681 20 0 EHADRM O=C([O-])c1c(NC(=O)c2cc(F)cc(F)c2)sc2c1CCCC2 ZINC000390271803 972272914 /nfs/dbraw/zinc/27/29/14/972272914.db2.gz BATFNXICEACVRU-UHFFFAOYSA-N -1 0 337.347 3.856 20 0 EHADRM C/C=C/C=C\C(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC000056169733 957550089 /nfs/dbraw/zinc/55/00/89/957550089.db2.gz MTAVNUJAGOWNBA-GQICYRDHSA-N -1 0 328.393 3.508 20 0 EHADRM COc1cccc(COc2ccc(C(=O)[O-])cc2Br)c1 ZINC000058181433 957556028 /nfs/dbraw/zinc/55/60/28/957556028.db2.gz MMLZJDVTIFVGNY-UHFFFAOYSA-N -1 0 337.169 3.735 20 0 EHADRM O=C([O-])c1cccc(OC(=O)COc2ccc(Cl)cc2Cl)c1 ZINC000066144155 957641897 /nfs/dbraw/zinc/64/18/97/957641897.db2.gz CARWDTDHIKCOKK-UHFFFAOYSA-N -1 0 341.146 3.676 20 0 EHADRM O=C([O-])c1ccc(COc2cc(Br)ccc2Cl)o1 ZINC000070133951 957661327 /nfs/dbraw/zinc/66/13/27/957661327.db2.gz XWHKHEIZERJMIT-UHFFFAOYSA-N -1 0 331.549 3.973 20 0 EHADRM Cc1cc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])nn1C1CCCCC1 ZINC001594275281 957712281 /nfs/dbraw/zinc/71/22/81/957712281.db2.gz FIEOVAGPWRMERW-OAHLLOKOSA-N -1 0 347.459 3.556 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N(CC(F)(F)F)[C@@H](C)C(C)C)c1 ZINC001594281731 957754106 /nfs/dbraw/zinc/75/41/06/957754106.db2.gz DDNQSQCVNYZVND-NSHDSACASA-N -1 0 331.334 3.742 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1c2ccccc2CC[C@@H]1Cc1ccccc1 ZINC001574771230 957763038 /nfs/dbraw/zinc/76/30/38/957763038.db2.gz WLSREZICZDAOAS-GUDVDZBRSA-N -1 0 349.430 3.688 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NC2(c3cccc(F)c3)CCC2)c1 ZINC001594285135 957772432 /nfs/dbraw/zinc/77/24/32/957772432.db2.gz HLNVENZGFMOZHE-UHFFFAOYSA-N -1 0 327.355 3.642 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)c2cc(C)cc(C(=O)[O-])c2)c(C)c1 ZINC001594285807 957777857 /nfs/dbraw/zinc/77/78/57/957777857.db2.gz JZPRDDONWAGNAD-OAHLLOKOSA-N -1 0 325.408 3.671 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2cc(-c3cccs3)on2)c1 ZINC001594288219 957794120 /nfs/dbraw/zinc/79/41/20/957794120.db2.gz DWVNLQRTBFOXEV-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM C[C@](CNc1ccnc(-c2ccccc2)n1)(C(=O)[O-])c1ccccc1 ZINC001603193701 972298980 /nfs/dbraw/zinc/29/89/80/972298980.db2.gz QLTINKLQKVSSIL-HXUWFJFHSA-N -1 0 333.391 3.598 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2cc(-c3ncc[nH]3)ccc2C)c1 ZINC001594288391 957796426 /nfs/dbraw/zinc/79/64/26/957796426.db2.gz NNOAQEOHGAJYDV-UHFFFAOYSA-N -1 0 335.363 3.644 20 0 EHADRM COc1ccccc1CCC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000390563334 972293382 /nfs/dbraw/zinc/29/33/82/972293382.db2.gz TYUNVKPUHLTFOY-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(c2nc(C(F)F)nc3ccccc32)C1 ZINC001335645707 957820192 /nfs/dbraw/zinc/82/01/92/957820192.db2.gz CZKOIPJNVCCZHG-QGZVFWFLSA-N -1 0 335.354 3.649 20 0 EHADRM CON(Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)[O-] ZINC001594044154 957906026 /nfs/dbraw/zinc/90/60/26/957906026.db2.gz SUYUMLHADGTBLX-UHFFFAOYSA-N -1 0 334.759 3.634 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC001340677883 957945968 /nfs/dbraw/zinc/94/59/68/957945968.db2.gz WOWCRYKFBLLCBU-LLVKDONJSA-N -1 0 333.771 3.725 20 0 EHADRM Cc1cc(Cl)c(NC(=O)CCCC(=O)[O-])cc1Br ZINC001594307845 957984693 /nfs/dbraw/zinc/98/46/93/957984693.db2.gz WYGKFUCNPNYSQJ-UHFFFAOYSA-N -1 0 334.597 3.604 20 0 EHADRM CSC1(CNC(=O)Nc2ccc(C(=O)[O-])cc2F)CCCCC1 ZINC000391059419 972314466 /nfs/dbraw/zinc/31/44/66/972314466.db2.gz AOZRDLHDWMJUKX-UHFFFAOYSA-N -1 0 340.420 3.711 20 0 EHADRM COc1cc(Cl)c(NC(=O)Cc2ccccc2C(=O)[O-])cc1C ZINC001594059058 958074833 /nfs/dbraw/zinc/07/48/33/958074833.db2.gz UPUIUEHDBKZNLY-UHFFFAOYSA-N -1 0 333.771 3.536 20 0 EHADRM Cc1cc(NC(=O)C[C@@H]2CSc3ccccc3O2)ccc1C(=O)[O-] ZINC001594317310 958081664 /nfs/dbraw/zinc/08/16/64/958081664.db2.gz ZOGSRFAFLWFXFT-CYBMUJFWSA-N -1 0 343.404 3.575 20 0 EHADRM C[C@@H](NC(=O)N1CCCC[C@@H]1CCC(=O)[O-])C1CCC(F)(F)CC1 ZINC001353125493 958139706 /nfs/dbraw/zinc/13/97/06/958139706.db2.gz FTNCGMQYZZGGIH-TZMCWYRMSA-N -1 0 346.418 3.629 20 0 EHADRM Cc1cc(NC(=O)c2coc(/C=C/C(=O)[O-])c2)ccc1OC(C)C ZINC001594324774 958151826 /nfs/dbraw/zinc/15/18/26/958151826.db2.gz GAFWJAOQTUDHNC-FNORWQNLSA-N -1 0 329.352 3.725 20 0 EHADRM Cc1cc(NC(=O)c2ccc(OCC(=O)[O-])cc2)cc(C)c1Cl ZINC001594325597 958167159 /nfs/dbraw/zinc/16/71/59/958167159.db2.gz QHELJVUPBOJYKJ-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM Cc1cc(NC(=O)c2ccc(C(F)(F)F)cc2N)ccc1C(=O)[O-] ZINC001594325628 958169367 /nfs/dbraw/zinc/16/93/67/958169367.db2.gz UAHPACPYLXMYFW-UHFFFAOYSA-N -1 0 338.285 3.547 20 0 EHADRM CC(F)(F)c1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC001603211001 972324999 /nfs/dbraw/zinc/32/49/99/972324999.db2.gz RCEGNLUVPRCBLO-GFCCVEGCSA-N -1 0 325.355 3.515 20 0 EHADRM Cc1ccc(C(C)(C)CNC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC001356630165 958181293 /nfs/dbraw/zinc/18/12/93/958181293.db2.gz OYNLQVDNUOTSDV-INIZCTEOSA-N -1 0 346.471 3.559 20 0 EHADRM Cc1ccc(-c2ncc(-c3nc([C@@H](C)C(=O)[O-])no3)s2)c(C)c1 ZINC001594335162 958257294 /nfs/dbraw/zinc/25/72/94/958257294.db2.gz DGJLSDHFACEUAZ-SNVBAGLBSA-N -1 0 329.381 3.665 20 0 EHADRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)c1cccc(Cl)c1Cl ZINC000094743331 958303067 /nfs/dbraw/zinc/30/30/67/958303067.db2.gz HMNIQLZDJDSNPZ-SKDRFNHKSA-N -1 0 330.211 3.757 20 0 EHADRM Cc1ccc(C(C)(C)CNC(=O)c2ccc(C(=O)[O-])cc2)c(C)c1 ZINC001594349667 958337399 /nfs/dbraw/zinc/33/73/99/958337399.db2.gz JBFQGATXRXDHKF-UHFFFAOYSA-N -1 0 325.408 3.709 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)C1 ZINC000097231748 958346999 /nfs/dbraw/zinc/34/69/99/958346999.db2.gz UYFZCNMOEGGLPX-UHOFOFEASA-N -1 0 335.831 3.547 20 0 EHADRM Cc1cc(C(=O)[O-])c(NC(=O)CSc2ccc(F)cc2)s1 ZINC000110512793 958392981 /nfs/dbraw/zinc/39/29/81/958392981.db2.gz GKCASQUOFCTUHM-UHFFFAOYSA-N -1 0 325.386 3.625 20 0 EHADRM Cc1ccc(Cl)c2sc(NC(=O)C3(C(=O)[O-])CC=CC3)nc21 ZINC001594362974 958470785 /nfs/dbraw/zinc/47/07/85/958470785.db2.gz DGCUBBYVMNPIFS-UHFFFAOYSA-N -1 0 336.800 3.618 20 0 EHADRM COc1ccc(OCc2ccc(C(=O)[O-])s2)c(Br)c1 ZINC000123348152 958500067 /nfs/dbraw/zinc/50/00/67/958500067.db2.gz CYEIGLZWTSQVOJ-UHFFFAOYSA-N -1 0 343.198 3.796 20 0 EHADRM C/C(=C(/F)C(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21)C1CC1 ZINC001573340717 958541512 /nfs/dbraw/zinc/54/15/12/958541512.db2.gz YGPICLAYWQEVOK-FDIDITGRSA-N -1 0 331.387 3.710 20 0 EHADRM C/C(=C/c1c(Cl)cccc1Cl)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001588480430 958587947 /nfs/dbraw/zinc/58/79/47/958587947.db2.gz KCKHNKIARPTHHV-HIJJYWJESA-N -1 0 342.222 3.720 20 0 EHADRM COc1cccc(-c2csc(CN3CCC[C@H](C)[C@@H]3C(=O)[O-])n2)c1 ZINC001594120193 958595723 /nfs/dbraw/zinc/59/57/23/958595723.db2.gz ZQEKCLFGJDXNML-YVEFUNNKSA-N -1 0 346.452 3.504 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)c1cc(F)c(F)cc1Cl ZINC000128244825 958648268 /nfs/dbraw/zinc/64/82/68/958648268.db2.gz DIMUIBUWLRSEDR-UHFFFAOYSA-N -1 0 331.727 3.939 20 0 EHADRM CC(C)(C)C(C)(C)CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000391760747 972367796 /nfs/dbraw/zinc/36/77/96/972367796.db2.gz ATIBIBSWRGMPHF-UHFFFAOYSA-N -1 0 328.359 3.857 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)CCCOCc1ccccc1 ZINC001594387392 958688824 /nfs/dbraw/zinc/68/88/24/958688824.db2.gz FOTCUVSQBZHIIV-UHFFFAOYSA-N -1 0 327.380 3.629 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)NCC1(Cc2cccc(Cl)c2)CC1 ZINC001573389909 958690013 /nfs/dbraw/zinc/69/00/13/958690013.db2.gz GMAFARPAIOPFDM-AWEZNQCLSA-N -1 0 337.847 3.526 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)C1CCc2ccccc2CC1)C(=O)[O-] ZINC001573394556 958709194 /nfs/dbraw/zinc/70/91/94/958709194.db2.gz DKJYMRFJPFBNKX-KRWDZBQOSA-N -1 0 331.456 3.577 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1cnc(-c2ccccc2)nc1C ZINC001594390775 958715300 /nfs/dbraw/zinc/71/53/00/958715300.db2.gz CFRUGIMOOJMGJA-UHFFFAOYSA-N -1 0 347.374 3.711 20 0 EHADRM Cc1cc(Br)cc(C(=O)N(C)c2ccccc2C(=O)[O-])c1 ZINC000130618868 958736024 /nfs/dbraw/zinc/73/60/24/958736024.db2.gz ZAFQKCVNDWXLFK-UHFFFAOYSA-N -1 0 348.196 3.732 20 0 EHADRM Cc1cccc([C@@H](NC(=O)C[C@@H](C)c2ccc(F)cc2)C(=O)[O-])c1 ZINC001594394981 958762338 /nfs/dbraw/zinc/76/23/38/958762338.db2.gz YMPQBWPKIQALBE-FZKQIMNGSA-N -1 0 329.371 3.570 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)c1sccc1-n1cccc1)C(=O)[O-] ZINC001573423925 958784759 /nfs/dbraw/zinc/78/47/59/958784759.db2.gz FJCXJWAABAPIBY-LBPRGKRZSA-N -1 0 334.441 3.548 20 0 EHADRM CC[C@@H]1CCCN1C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000132511857 958786569 /nfs/dbraw/zinc/78/65/69/958786569.db2.gz KWXVZBDNTVXWGX-SNVBAGLBSA-N -1 0 341.205 3.554 20 0 EHADRM CC(C)(CCNC(=O)C(C)(C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001573469647 958944793 /nfs/dbraw/zinc/94/47/93/958944793.db2.gz GUEFCZIWAORSMH-UHFFFAOYSA-N -1 0 325.836 3.526 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1cccc(OCc2ccccc2)c1 ZINC001573489494 959000873 /nfs/dbraw/zinc/00/08/73/959000873.db2.gz FXDBUHRQSIRUBK-QGZVFWFLSA-N -1 0 327.380 3.561 20 0 EHADRM Cc1ccccc1C1(CNC(=O)N(C)C[C@H](C)C(=O)[O-])CCCCC1 ZINC001594416744 959010367 /nfs/dbraw/zinc/01/03/67/959010367.db2.gz KGVUAVRJSWJSNB-INIZCTEOSA-N -1 0 346.471 3.559 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)c2c(F)cccc2Cl)c2ccccc21 ZINC001605745045 972396154 /nfs/dbraw/zinc/39/61/54/972396154.db2.gz YKRQMEZKJLPNAU-RISCZKNCSA-N -1 0 333.746 3.522 20 0 EHADRM Cc1ccccc1CNc1ccccc1NC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001594418355 959036264 /nfs/dbraw/zinc/03/62/64/959036264.db2.gz UBECOBZPAYHMSY-JKSUJKDBSA-N -1 0 338.407 3.656 20 0 EHADRM O=C([O-])c1cccc(F)c1NC(=O)c1cccc(Br)c1 ZINC000150227490 959037065 /nfs/dbraw/zinc/03/70/65/959037065.db2.gz JGKVKDRBUOZFAT-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM CC(C)[C@]1(C)C[C@H]1C(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21 ZINC001573500153 959055151 /nfs/dbraw/zinc/05/51/51/959055151.db2.gz OTEDNKAFRIEYGT-IIMJZQEZSA-N -1 0 329.440 3.739 20 0 EHADRM CC(C)[C@@H]1N(C(=O)Nc2ccnc(C(=O)[O-])c2)CC12CCCCC2 ZINC001573502595 959073436 /nfs/dbraw/zinc/07/34/36/959073436.db2.gz QJJDSDKBSDPRAN-HNNXBMFYSA-N -1 0 331.416 3.602 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1(C)C ZINC001588565516 959139147 /nfs/dbraw/zinc/13/91/47/959139147.db2.gz UMOOKTJKSVWMRR-GXFFZTMASA-N -1 0 343.345 3.521 20 0 EHADRM CSc1c(F)cc(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)cc1F ZINC001594188904 959148179 /nfs/dbraw/zinc/14/81/79/959148179.db2.gz KLWMOLKARFEJQD-LBPRGKRZSA-N -1 0 329.368 3.516 20 0 EHADRM CC(C)C[C@@H](NC(=O)Cc1cc(Cl)cc2ccccc21)C(=O)[O-] ZINC001573528846 959154266 /nfs/dbraw/zinc/15/42/66/959154266.db2.gz BFTAYDQMVWRWRE-MRXNPFEDSA-N -1 0 333.815 3.651 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)CCSc1ccccc1 ZINC000392072101 972406340 /nfs/dbraw/zinc/40/63/40/972406340.db2.gz YZKGYRMRQYIBBR-INIZCTEOSA-N -1 0 335.469 3.709 20 0 EHADRM CC(C)[C@H](CNC(=O)[C@H](C)C(=O)[O-])Cc1ccc(Cl)cc1Cl ZINC001588571696 959189081 /nfs/dbraw/zinc/18/90/81/959189081.db2.gz ZNHMKWFHDSTKJR-JQWIXIFHSA-N -1 0 346.254 3.645 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)c1 ZINC001573544225 959200672 /nfs/dbraw/zinc/20/06/72/959200672.db2.gz UTNDSNVELQCJKK-RVKKMQEKSA-N -1 0 331.456 3.700 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC001573544224 959201145 /nfs/dbraw/zinc/20/11/45/959201145.db2.gz UTNDSNVELQCJKK-RLFYNMQTSA-N -1 0 331.456 3.700 20 0 EHADRM CC(C)Nc1ccc(Cl)cc1NC(=O)c1ccc(C(=O)[O-])cn1 ZINC001573550078 959230981 /nfs/dbraw/zinc/23/09/81/959230981.db2.gz SPRMIBOOVXLSHL-UHFFFAOYSA-N -1 0 333.775 3.506 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)CSCc2cccs2)c1 ZINC000166548775 959309337 /nfs/dbraw/zinc/30/93/37/959309337.db2.gz ISODSWGNJBQWSZ-UHFFFAOYSA-N -1 0 341.841 3.972 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)C3(C(=O)[O-])C(C)(C)C3(C)C)cc2)co1 ZINC001594444013 959314195 /nfs/dbraw/zinc/31/41/95/959314195.db2.gz GRQVQPZPROXFJO-UHFFFAOYSA-N -1 0 342.395 3.726 20 0 EHADRM CC(C)COc1ccc(NC(=O)c2cc(C(=O)[O-])co2)cc1Cl ZINC000183766455 959445586 /nfs/dbraw/zinc/44/55/86/959445586.db2.gz FPOCGDRLHYBSKA-UHFFFAOYSA-N -1 0 337.759 3.918 20 0 EHADRM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2cc(C(=O)[O-])co2)o1 ZINC000183802785 959452466 /nfs/dbraw/zinc/45/24/66/959452466.db2.gz SVGNOEMTVQBMIX-RISCZKNCSA-N -1 0 331.368 3.747 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(C(F)(F)F)nc2C)c(C(=O)[O-])c1 ZINC000184942772 959476272 /nfs/dbraw/zinc/47/62/72/959476272.db2.gz HCMAZMOOSMDKAO-UHFFFAOYSA-N -1 0 338.285 3.668 20 0 EHADRM CC(C)(C(=O)Nc1cc(C(=O)[O-])ccc1Br)C1CC1 ZINC001588610214 959504896 /nfs/dbraw/zinc/50/48/96/959504896.db2.gz XCBUPDZJYZYVBQ-UHFFFAOYSA-N -1 0 326.190 3.522 20 0 EHADRM C[C@H]1SCCN(C(=O)CC(C)(C)CC(=O)[O-])[C@@H]1c1ccccc1 ZINC000191134724 959541402 /nfs/dbraw/zinc/54/14/02/959541402.db2.gz ONURNZIBLUJYLS-DYVFJYSZSA-N -1 0 335.469 3.583 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cc1)C(=O)[O-] ZINC000191387801 959556203 /nfs/dbraw/zinc/55/62/03/959556203.db2.gz SOIOEGXHHVUYOU-CYBMUJFWSA-N -1 0 341.382 3.759 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)CSc2ccccc2)cc1)C(=O)[O-] ZINC000191386763 959556541 /nfs/dbraw/zinc/55/65/41/959556541.db2.gz OCLYDTHYDQSNOC-CYBMUJFWSA-N -1 0 329.421 3.681 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)[C@@H]2CSc3ccccc32)cc1)C(=O)[O-] ZINC000191389942 959557409 /nfs/dbraw/zinc/55/74/09/959557409.db2.gz XXQCEHWDQKQMCD-BLLLJJGKSA-N -1 0 341.432 3.778 20 0 EHADRM C[C@H]1CC[C@@](C)(CNC(=O)NCc2cccc(C(=O)[O-])c2)C1(C)C ZINC001594245503 959563640 /nfs/dbraw/zinc/56/36/40/959563640.db2.gz UDAIRGGSOOOOBF-DJJJIMSYSA-N -1 0 332.444 3.646 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1)C(=O)[O-] ZINC000191426125 959566979 /nfs/dbraw/zinc/56/69/79/959566979.db2.gz AHQSGFDEVKULLX-LLVKDONJSA-N -1 0 349.789 3.924 20 0 EHADRM CCOc1ccc(CC(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000191438621 959567979 /nfs/dbraw/zinc/56/79/79/959567979.db2.gz JJWBGCVZCPTRFL-CQSZACIVSA-N -1 0 341.407 3.530 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)C(C)(C)c2ccccc2)cc1)C(=O)[O-] ZINC000191440855 959568796 /nfs/dbraw/zinc/56/87/96/959568796.db2.gz JTTBEAVCEARJHA-AWEZNQCLSA-N -1 0 325.408 3.866 20 0 EHADRM CSc1ccccc1C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000191446301 959569535 /nfs/dbraw/zinc/56/95/35/959569535.db2.gz ZOYZQWRJUCQCNH-GFCCVEGCSA-N -1 0 329.421 3.924 20 0 EHADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1F ZINC000191527289 959577480 /nfs/dbraw/zinc/57/74/80/959577480.db2.gz DTKDHVBRDRIFGE-CQSZACIVSA-N -1 0 349.789 3.685 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])o1)c1ccc(-c2ccncc2)cc1 ZINC000191626246 959584965 /nfs/dbraw/zinc/58/49/65/959584965.db2.gz QBAYEPUQYARCDZ-LBPRGKRZSA-N -1 0 336.347 3.531 20 0 EHADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)n1 ZINC001588627517 959594189 /nfs/dbraw/zinc/59/41/89/959594189.db2.gz VZMMZWMIWGVBMP-UHFFFAOYSA-N -1 0 349.390 3.622 20 0 EHADRM Cc1[nH]c2c(cccc2C(=O)NC[C@H](CC(=O)[O-])CC(C)C)c1C ZINC001594250133 959603213 /nfs/dbraw/zinc/60/32/13/959603213.db2.gz OKSFKIVDHKGUDM-AWEZNQCLSA-N -1 0 330.428 3.652 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCC(=Cc2cccc(F)c2)CC1 ZINC001588632200 959620117 /nfs/dbraw/zinc/62/01/17/959620117.db2.gz RQGUMYPWMSQDTB-INIZCTEOSA-N -1 0 333.403 3.578 20 0 EHADRM O=C([O-])CCCCCNC(=O)C1c2ccccc2Oc2ccccc21 ZINC000194770077 959621115 /nfs/dbraw/zinc/62/11/15/959621115.db2.gz DZTWLSBKSGUDQN-UHFFFAOYSA-N -1 0 339.391 3.685 20 0 EHADRM O=C([O-])C1(NC(=O)/C=C\c2cc(Cl)cc(Cl)c2)CCCC1 ZINC000208444774 959668897 /nfs/dbraw/zinc/66/88/97/959668897.db2.gz ZQNLVDKTCQPSSS-ARJAWSKDSA-N -1 0 328.195 3.520 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC001573665413 959690572 /nfs/dbraw/zinc/69/05/72/959690572.db2.gz YEGFCBCGZZZITL-LJQANCHMSA-N -1 0 349.858 3.622 20 0 EHADRM Cc1c(NC(=O)CCCC(=O)[O-])cccc1NC(=O)OC(C)(C)C ZINC001594264470 959733304 /nfs/dbraw/zinc/73/33/04/959733304.db2.gz MRQRXSRPORTRTN-UHFFFAOYSA-N -1 0 336.388 3.535 20 0 EHADRM Cc1c(NC(=O)C2(C(=O)[O-])CCCCC2)cccc1-c1ncco1 ZINC001594264749 959734778 /nfs/dbraw/zinc/73/47/78/959734778.db2.gz PGXMRFIXWGLYQM-UHFFFAOYSA-N -1 0 328.368 3.624 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)[C@H]1C[C@]12CCCc1ccccc12)C(=O)[O-] ZINC001588646664 959740109 /nfs/dbraw/zinc/74/01/09/959740109.db2.gz YBAJLBIGDVAVNG-WWMYMODYSA-N -1 0 343.467 3.676 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)c1cc(Cl)nc(C2CC2)c1)C(=O)[O-] ZINC001588648811 959750325 /nfs/dbraw/zinc/75/03/25/959750325.db2.gz RJVCHAMPKYAMAA-LBPRGKRZSA-N -1 0 338.835 3.622 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001588649692 959753933 /nfs/dbraw/zinc/75/39/33/959753933.db2.gz XCJBNLZDXYBLJN-LBPRGKRZSA-N -1 0 331.334 3.715 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)Nc1ccccc1OC(F)F)C(=O)[O-] ZINC001588650135 959755747 /nfs/dbraw/zinc/75/57/47/959755747.db2.gz AIWWSMFTBIQQOV-LLVKDONJSA-N -1 0 344.358 3.689 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)Nc1cnccc1C(F)(F)F)C(=O)[O-] ZINC001588650592 959762299 /nfs/dbraw/zinc/76/22/99/959762299.db2.gz MOVVOLTUZCTSNC-SNVBAGLBSA-N -1 0 347.337 3.501 20 0 EHADRM C[C@H](CC(=O)[O-])SCc1c(F)ccc(Br)c1F ZINC000230304938 960140896 /nfs/dbraw/zinc/14/08/96/960140896.db2.gz YMWUUEFHWMAFTQ-ZCFIWIBFSA-N -1 0 325.174 3.824 20 0 EHADRM Cc1cc(Br)cc(NC(=O)c2ccccc2C(=O)[O-])c1 ZINC000232062625 960242055 /nfs/dbraw/zinc/24/20/55/960242055.db2.gz GACHEKAPLYEURL-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM Cc1cc(F)c(Br)cc1NCc1ccc(C(=O)[O-])o1 ZINC000232099663 960242718 /nfs/dbraw/zinc/24/27/18/960242718.db2.gz NXVJMOHPZLMSOC-UHFFFAOYSA-N -1 0 328.137 3.800 20 0 EHADRM COc1ccc2cccc(CC(=O)Nc3ccccc3C(=O)[O-])c2c1 ZINC001574227122 960403867 /nfs/dbraw/zinc/40/38/67/960403867.db2.gz NPGOWLFQHIFZLY-UHFFFAOYSA-N -1 0 335.359 3.728 20 0 EHADRM CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001588657925 960419090 /nfs/dbraw/zinc/41/90/90/960419090.db2.gz AQEZKZKWERRLLO-GXSJLCMTSA-N -1 0 337.441 3.530 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CC=C(c2ccc(C)cc2)CC1 ZINC001123277921 960433473 /nfs/dbraw/zinc/43/34/73/960433473.db2.gz PNYIVULYTPRBEZ-UHFFFAOYSA-N -1 0 325.364 3.524 20 0 EHADRM Cc1csc(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c1Cl ZINC000235965032 960537345 /nfs/dbraw/zinc/53/73/45/960537345.db2.gz GFIBPYASWMISFO-UHFFFAOYSA-N -1 0 331.727 3.939 20 0 EHADRM CCC(=CC(=O)Nc1scc(-c2cnn(C)c2)c1C(=O)[O-])CC ZINC001573759319 960595570 /nfs/dbraw/zinc/59/55/70/960595570.db2.gz QEMZLXKREHBMGO-UHFFFAOYSA-N -1 0 333.413 3.532 20 0 EHADRM O=C([O-])COc1ccccc1CN1CCC[C@@H]1c1ccc(F)cc1F ZINC001231793480 960626569 /nfs/dbraw/zinc/62/65/69/960626569.db2.gz BEZHQVDJYGVJJC-QGZVFWFLSA-N -1 0 347.361 3.765 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1SCCc2sccc21 ZINC001253330211 960647932 /nfs/dbraw/zinc/64/79/32/960647932.db2.gz RLPFRXMICNEDAT-AWEZNQCLSA-N -1 0 333.434 3.724 20 0 EHADRM CC[C@@H](C)Cc1c(C)sc2[nH]c(S[C@H](C)C(=O)[O-])nc(=O)c12 ZINC001573776928 960698631 /nfs/dbraw/zinc/69/86/31/960698631.db2.gz SBFODLRDZVQIBK-VXNVDRBHSA-N -1 0 340.470 3.859 20 0 EHADRM C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001603286864 972527480 /nfs/dbraw/zinc/52/74/80/972527480.db2.gz NEWRBBPLDNVFNM-DYVFJYSZSA-N -1 0 339.395 3.580 20 0 EHADRM CC(C)COc1ccc(NC(=O)c2ccc(C(=O)[O-])nc2)cc1Cl ZINC000236688469 960733613 /nfs/dbraw/zinc/73/36/13/960733613.db2.gz DMLLRZDXGIJHQQ-UHFFFAOYSA-N -1 0 348.786 3.720 20 0 EHADRM CCC(CC)(CNC(=O)C[C@@H]1CCCc2cc(OC)ccc21)C(=O)[O-] ZINC000236844583 960772066 /nfs/dbraw/zinc/77/20/66/960772066.db2.gz NEXADONBXHQVRE-HNNXBMFYSA-N -1 0 347.455 3.512 20 0 EHADRM CCC(CC)(CNC(=O)C[C@H]1CCCc2cc(OC)ccc21)C(=O)[O-] ZINC000236845905 960772272 /nfs/dbraw/zinc/77/22/72/960772272.db2.gz NEXADONBXHQVRE-OAHLLOKOSA-N -1 0 347.455 3.512 20 0 EHADRM Cc1oc(CN(C)Cc2cc(Cl)cc(Cl)c2N)cc1C(=O)[O-] ZINC001262156171 960784209 /nfs/dbraw/zinc/78/42/09/960784209.db2.gz IMRACVJDPINXQO-UHFFFAOYSA-N -1 0 343.210 3.807 20 0 EHADRM Cc1cc(C(C)(C)C)ccc1OCCCC(=O)N1CCC[C@H]1C(=O)[O-] ZINC001574319198 960811793 /nfs/dbraw/zinc/81/17/93/960811793.db2.gz JEOUMEJWLWJEOE-INIZCTEOSA-N -1 0 347.455 3.527 20 0 EHADRM CCC[C@H](NC(=O)CCCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000236970594 960818741 /nfs/dbraw/zinc/81/87/41/960818741.db2.gz PCOXIZLMGMZKSO-VIFPVBQESA-N -1 0 338.256 3.747 20 0 EHADRM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)c1ccc(C(=O)[O-])s1 ZINC000237011043 960834278 /nfs/dbraw/zinc/83/42/78/960834278.db2.gz STDLDBVZAYDSSQ-LBPRGKRZSA-N -1 0 347.436 3.862 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000237012054 960835488 /nfs/dbraw/zinc/83/54/88/960835488.db2.gz WJANUXWVFTUDIS-INIZCTEOSA-N -1 0 327.380 3.798 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C1 ZINC000263189542 1125474664 /nfs/dbraw/zinc/47/46/64/1125474664.db2.gz VKVPEMFMGRQCLT-HTQZYQBOSA-N -1 0 349.189 3.707 20 0 EHADRM Cc1ccc2c(CC(=O)N(C)Cc3ccc(C(=O)[O-])cc3)coc2c1 ZINC000237035462 960847243 /nfs/dbraw/zinc/84/72/43/960847243.db2.gz NUHOHRQOIKAIJA-UHFFFAOYSA-N -1 0 337.375 3.641 20 0 EHADRM CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000237115690 960873352 /nfs/dbraw/zinc/87/33/52/960873352.db2.gz XBKOKUDAHXKMSQ-AWEZNQCLSA-N -1 0 345.420 3.822 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1 ZINC000237114087 960873547 /nfs/dbraw/zinc/87/35/47/960873547.db2.gz IMGATYZOOOTJHG-ORAYPTAESA-N -1 0 335.444 3.511 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001573809980 960882088 /nfs/dbraw/zinc/88/20/88/960882088.db2.gz ZWVBKIDOGULJOE-KSZLIROESA-N -1 0 331.456 3.666 20 0 EHADRM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000237266379 960896884 /nfs/dbraw/zinc/89/68/84/960896884.db2.gz SFGMHQRYZUXGMC-UHFFFAOYSA-N -1 0 337.297 3.676 20 0 EHADRM CSc1cc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c(Cl)cc1Cl ZINC000237299168 960907905 /nfs/dbraw/zinc/90/79/05/960907905.db2.gz JBFCVHNTNMKPJF-SFYZADRCSA-N -1 0 348.251 3.698 20 0 EHADRM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001573813655 960917447 /nfs/dbraw/zinc/91/74/47/960917447.db2.gz OCPBVTYKXTWIAR-MHORFTMASA-N -1 0 329.440 3.672 20 0 EHADRM CC[C@H](OC(=O)c1coc(/C=C\C(=O)[O-])c1)c1ccc(OC)cc1 ZINC001573814094 960920908 /nfs/dbraw/zinc/92/09/08/960920908.db2.gz TZOWYUWMTBRGKY-QWGSZXSUSA-N -1 0 330.336 3.694 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ccc(C(=O)[O-])o1 ZINC000237393701 960924228 /nfs/dbraw/zinc/92/42/28/960924228.db2.gz YMNBDQYMBXOYBQ-MNOVXSKESA-N -1 0 335.787 3.895 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc3cc(C)ccc3o2)cc1 ZINC001319406268 960944239 /nfs/dbraw/zinc/94/42/39/960944239.db2.gz FGJQQFFNOFLUBW-INIZCTEOSA-N -1 0 337.375 3.995 20 0 EHADRM Cc1cc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])c(C)s1 ZINC000237488906 960945271 /nfs/dbraw/zinc/94/52/71/960945271.db2.gz IIVFVDDEZHMSTF-LBPRGKRZSA-N -1 0 331.437 3.728 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)N(C)Cc3ccc(C(=O)[O-])cc3)cc2C1 ZINC000237546947 960957686 /nfs/dbraw/zinc/95/76/86/960957686.db2.gz RVKUSWABDFGMHJ-GFCCVEGCSA-N -1 0 343.448 3.843 20 0 EHADRM Cc1ccc(NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])c(F)c1 ZINC000237563833 960962639 /nfs/dbraw/zinc/96/26/39/960962639.db2.gz UHBAMQQCIBERGS-NSHDSACASA-N -1 0 333.384 3.952 20 0 EHADRM Cc1ccc(NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1C(=O)[O-] ZINC000237560716 960963295 /nfs/dbraw/zinc/96/32/95/960963295.db2.gz JMSCVAXBNVMLES-LLVKDONJSA-N -1 0 333.771 3.753 20 0 EHADRM C[C@]1(C(=O)Nc2cc(C(=O)[O-])ccc2F)CCCc2ccccc21 ZINC000237600566 960969570 /nfs/dbraw/zinc/96/95/70/960969570.db2.gz VPNJOVDEZJLSGF-IBGZPJMESA-N -1 0 327.355 3.757 20 0 EHADRM Cc1ccc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1Cl ZINC000237623673 960976035 /nfs/dbraw/zinc/97/60/35/960976035.db2.gz KASDBYVLJHEYKN-LRDDRELGSA-N -1 0 331.799 3.840 20 0 EHADRM Cc1ccc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c2c1CCC2 ZINC001574351454 960993618 /nfs/dbraw/zinc/99/36/18/960993618.db2.gz ZVUCAUMUYNREAS-MOPGFXCFSA-N -1 0 335.403 3.527 20 0 EHADRM Cc1[nH]c2ccccc2c1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000237705813 961002604 /nfs/dbraw/zinc/00/26/04/961002604.db2.gz TXHQJOYDXURYLN-UHFFFAOYSA-N -1 0 338.363 3.582 20 0 EHADRM Cc1ccc(C(C)C)c(OCCC(=O)Nc2ncccc2C(=O)[O-])c1 ZINC001574357583 961008577 /nfs/dbraw/zinc/00/85/77/961008577.db2.gz UKDJVEVFIIQQSJ-UHFFFAOYSA-N -1 0 342.395 3.619 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H](C)c2cccc(F)c2)cc1 ZINC001324011337 961022563 /nfs/dbraw/zinc/02/25/63/961022563.db2.gz MOLUJWPFWSUJAW-CXAGYDPISA-N -1 0 329.371 3.570 20 0 EHADRM Cc1ccc([C@H](NC(=O)Nc2ccccc2C(=O)[O-])C(F)(F)F)o1 ZINC001574359750 961023497 /nfs/dbraw/zinc/02/34/97/961023497.db2.gz ZQMPZVPZPVWQSE-LBPRGKRZSA-N -1 0 342.273 3.711 20 0 EHADRM Cc1ccc(C(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)c(C)c1 ZINC000237847390 961032820 /nfs/dbraw/zinc/03/28/20/961032820.db2.gz LPVSYRANHUJDGW-UHFFFAOYSA-N -1 0 348.402 3.681 20 0 EHADRM O=C([O-])CCCCNC(=O)c1ccc(SCc2ccccc2)cc1 ZINC000237923227 961041977 /nfs/dbraw/zinc/04/19/77/961041977.db2.gz UILYLWHEKJHZSP-UHFFFAOYSA-N -1 0 343.448 3.964 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2C[C@@]23CCc2ccccc23)cc1 ZINC001325142461 961052474 /nfs/dbraw/zinc/05/24/74/961052474.db2.gz DRTCTHWIUBGHMK-XQBPLPMBSA-N -1 0 349.430 3.531 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1ccc2c(c1)CCC2 ZINC000237951949 961052566 /nfs/dbraw/zinc/05/25/66/961052566.db2.gz DFGSSGVBGZSSPN-UHFFFAOYSA-N -1 0 337.419 3.683 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000237951141 961052677 /nfs/dbraw/zinc/05/26/77/961052677.db2.gz QWYLAEYTULAGIZ-NSHDSACASA-N -1 0 344.238 3.639 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2ccc(Cl)s2)cc1 ZINC001325181875 961053458 /nfs/dbraw/zinc/05/34/58/961053458.db2.gz PENHBGLIPWKINN-CYBMUJFWSA-N -1 0 337.828 3.585 20 0 EHADRM O=C([O-])c1n[nH]c2ccc(NC(=O)Cc3cccc4ccccc43)cc21 ZINC000237967954 961058968 /nfs/dbraw/zinc/05/89/68/961058968.db2.gz KZJQCPOOYAFSPM-UHFFFAOYSA-N -1 0 345.358 3.596 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2C[C@H]3CCCC[C@]32c2ccccc2)cc1 ZINC000238014230 961075539 /nfs/dbraw/zinc/07/55/39/961075539.db2.gz LZNPDGMCWPRLAF-NQIIRXRSSA-N -1 0 335.403 3.926 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCc2ccc(OC3CCCCC3)cc2)o1 ZINC000238022562 961078364 /nfs/dbraw/zinc/07/83/64/961078364.db2.gz APMVLFRWVLRYOH-UHFFFAOYSA-N -1 0 343.379 3.619 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000238106744 961098039 /nfs/dbraw/zinc/09/80/39/961098039.db2.gz NAKWXWKKFPXPRS-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM O=C([O-])CN(Cc1ccccc1)C(=O)CCCc1ccc(Cl)cc1 ZINC000238142312 961124937 /nfs/dbraw/zinc/12/49/37/961124937.db2.gz OXRFLRJJJQBSJM-UHFFFAOYSA-N -1 0 345.826 3.776 20 0 EHADRM CC(C)(C)c1cc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC001588739196 961145037 /nfs/dbraw/zinc/14/50/37/961145037.db2.gz FNEAAXXBNBZPKI-BJHJDKERSA-N -1 0 347.455 3.580 20 0 EHADRM CC(C)(C)c1cc(C(=O)N2CC[C@@H](C(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC001588739443 961153116 /nfs/dbraw/zinc/15/31/16/961153116.db2.gz NQSRPNNUTVPPSI-GFCCVEGCSA-N -1 0 347.455 3.534 20 0 EHADRM O=C([O-])CNC(=O)c1ccccc1Oc1ccc(Cl)cc1Cl ZINC000238196787 961154379 /nfs/dbraw/zinc/15/43/79/961154379.db2.gz BDWAGZZMVSRXMH-UHFFFAOYSA-N -1 0 340.162 3.600 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2ccc(C(=O)[O-])cc2C)cc1 ZINC001327458025 961164453 /nfs/dbraw/zinc/16/44/53/961164453.db2.gz DAUAQXSAVNDBJD-RDJZCZTQSA-N -1 0 339.391 3.834 20 0 EHADRM CC(C)(C)c1cnc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)s1 ZINC001327482630 961165857 /nfs/dbraw/zinc/16/58/57/961165857.db2.gz VWRQNQPMUBCILA-UHFFFAOYSA-N -1 0 345.468 3.701 20 0 EHADRM CCCOc1ccc(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1C ZINC001573861785 961173691 /nfs/dbraw/zinc/17/36/91/961173691.db2.gz DBSIEEJRIWXCSB-RMKNXTFCSA-N -1 0 329.352 3.727 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2csc(C(F)(F)F)c2)C(=O)[O-])c1 ZINC001574390802 961177275 /nfs/dbraw/zinc/17/72/75/961177275.db2.gz FDCWMSGRBSCBIW-GFCCVEGCSA-N -1 0 343.326 3.631 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1C(=O)[O-] ZINC000249241656 961200708 /nfs/dbraw/zinc/20/07/08/961200708.db2.gz CYOICBXTCNMYDQ-QLFBSQMISA-N -1 0 333.428 3.851 20 0 EHADRM Cc1cccc([C@@H](NCc2cc3cc(Cl)cnc3o2)C(=O)[O-])c1 ZINC001574395201 961208142 /nfs/dbraw/zinc/20/81/42/961208142.db2.gz WEZAIBWARWIGSE-OAHLLOKOSA-N -1 0 330.771 3.705 20 0 EHADRM O=C([O-])[C@H](c1ccccc1Cl)N1CCO[C@@H](c2ccccc2F)C1 ZINC001328739762 961222487 /nfs/dbraw/zinc/22/24/87/961222487.db2.gz KKWRVAHSSYJZHA-SJORKVTESA-N -1 0 349.789 3.678 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001574401276 961229656 /nfs/dbraw/zinc/22/96/56/961229656.db2.gz DQJOZYODOYSNGC-FZKQIMNGSA-N -1 0 329.371 3.570 20 0 EHADRM CC(C)(CCNC(=O)CCCc1ccc2c(c1)CCCC2)C(=O)[O-] ZINC001588770266 961259531 /nfs/dbraw/zinc/25/95/31/961259531.db2.gz JXADAYDODRQTFG-UHFFFAOYSA-N -1 0 331.456 3.505 20 0 EHADRM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](C(=O)[O-])C(C)C ZINC001573881175 961277679 /nfs/dbraw/zinc/27/76/79/961277679.db2.gz MJSRBICAUCFVPB-ZDUSSCGKSA-N -1 0 332.227 3.699 20 0 EHADRM Cc1ccoc1CC(=O)Nc1sc2c(c1C(=O)[O-])C[C@@H](C)O[C@H]2C ZINC001574410895 961282705 /nfs/dbraw/zinc/28/27/05/961282705.db2.gz CZTHCESUFDEAMH-ZJUUUORDSA-N -1 0 349.408 3.551 20 0 EHADRM CC(C)(CNC(=O)[C@@]1(C(=O)[O-])CC1(C)C)Cc1cccc(Cl)c1 ZINC001588779949 961304386 /nfs/dbraw/zinc/30/43/86/961304386.db2.gz PPDPGTPFIIZPFG-GOSISDBHSA-N -1 0 337.847 3.526 20 0 EHADRM CC(C)(C)c1ccc(C2(C(=O)NCc3ccoc3C(=O)[O-])CC2)cc1 ZINC001330513459 961343739 /nfs/dbraw/zinc/34/37/39/961343739.db2.gz LGWJHXSJELUIEI-UHFFFAOYSA-N -1 0 341.407 3.623 20 0 EHADRM Cc1ncc(-c2ccc(NC(=O)/C=C/c3ccc(C(=O)[O-])o3)cc2)o1 ZINC001574427344 961373609 /nfs/dbraw/zinc/37/36/09/961373609.db2.gz VMDJOEVQZSQLCK-VQHVLOKHSA-N -1 0 338.319 3.593 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000261741482 961391210 /nfs/dbraw/zinc/39/12/10/961391210.db2.gz SWVAQXQRMOCRKN-KGLIPLIRSA-N -1 0 343.345 3.712 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C(F)(F)c2ccc(Cl)cc2)c(F)c1 ZINC001331837381 961397964 /nfs/dbraw/zinc/39/79/64/961397964.db2.gz HCJGHQQZTQVUOG-UHFFFAOYSA-N -1 0 343.688 3.908 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N[C@](C)(CC(=O)[O-])C3CC3)c(Cl)c2c1 ZINC001331894786 961404574 /nfs/dbraw/zinc/40/45/74/961404574.db2.gz HBXROINAEBJPRT-QGZVFWFLSA-N -1 0 334.803 3.503 20 0 EHADRM CC(C)C(=O)c1ccc([C@@H](C)c2nc(C3(C(=O)[O-])CCC3)no2)cc1 ZINC001588802010 961428865 /nfs/dbraw/zinc/42/88/65/961428865.db2.gz QLEYJONEDYMUNG-GFCCVEGCSA-N -1 0 342.395 3.566 20 0 EHADRM Cc1onc(-c2cccs2)c1C(=O)Nc1ccccc1CC(=O)[O-] ZINC001574443767 961433046 /nfs/dbraw/zinc/43/30/46/961433046.db2.gz FXQFXCJKEBWCHZ-UHFFFAOYSA-N -1 0 342.376 3.591 20 0 EHADRM Cc1oc(-c2ccccc2)nc1C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001574443861 961434864 /nfs/dbraw/zinc/43/48/64/961434864.db2.gz IVAUPLKPLICOAB-AWEZNQCLSA-N -1 0 344.411 3.659 20 0 EHADRM C[C@H](CC(=O)N[C@@H](CC1CC1)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000262095801 961454811 /nfs/dbraw/zinc/45/48/11/961454811.db2.gz BLOCUBKXUAAMNV-YGRLFVJLSA-N -1 0 343.345 3.569 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N(Cc1ccoc1)C1CCCCC1 ZINC000262110314 961469316 /nfs/dbraw/zinc/46/93/16/961469316.db2.gz FISZKEIESASSLX-UHFFFAOYSA-N -1 0 341.407 3.882 20 0 EHADRM Cc1oc(CNC(=O)C(C)(C)Cc2cccc(Cl)c2)cc1C(=O)[O-] ZINC000262178378 961526522 /nfs/dbraw/zinc/52/65/22/961526522.db2.gz XFUCXFFAVZFQKF-UHFFFAOYSA-N -1 0 349.814 3.825 20 0 EHADRM Cc1oc(CN(C)C(=O)c2sccc2C(F)F)cc1C(=O)[O-] ZINC001332327446 961550249 /nfs/dbraw/zinc/55/02/49/961550249.db2.gz TYEUTMGMXCHOIA-UHFFFAOYSA-N -1 0 329.324 3.558 20 0 EHADRM CC[C@@H](NC(=O)Nc1cc(Cl)ccc1OC1CCCC1)C(=O)[O-] ZINC001573930829 961572444 /nfs/dbraw/zinc/57/24/44/961572444.db2.gz JWQZCSWFBBPBOI-GFCCVEGCSA-N -1 0 340.807 3.646 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)Nc1ccc(OCC2CC2)cc1 ZINC000262228544 961572868 /nfs/dbraw/zinc/57/28/68/961572868.db2.gz WLSLXTCDMYEIBI-UHFFFAOYSA-N -1 0 339.391 3.745 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC000262242938 961586570 /nfs/dbraw/zinc/58/65/70/961586570.db2.gz UQDDTTRTDLBFMH-ZDUSSCGKSA-N -1 0 343.448 3.917 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(-c2ccccc2C(F)(F)F)o1)C(=O)[O-] ZINC001573936007 961592226 /nfs/dbraw/zinc/59/22/26/961592226.db2.gz BGIDQMMHAHVPGC-LLVKDONJSA-N -1 0 341.285 3.558 20 0 EHADRM CC(C)[C@H](CNC(=O)C(C)(C)c1cccc2ccccc21)C(=O)[O-] ZINC001588816971 961597301 /nfs/dbraw/zinc/59/73/01/961597301.db2.gz QHFQPHSPESGJKG-INIZCTEOSA-N -1 0 327.424 3.590 20 0 EHADRM Cc1cc(NC(=O)Cc2cccc(C(=O)[O-])c2)ccc1OC(C)C ZINC000262264096 961603044 /nfs/dbraw/zinc/60/30/44/961603044.db2.gz XDPLUQDINABYER-UHFFFAOYSA-N -1 0 327.380 3.662 20 0 EHADRM CC(C)[C@@H](CNC(=O)N1CCC(C)(C)[C@H](c2ccccc2)C1)C(=O)[O-] ZINC001588822441 961635630 /nfs/dbraw/zinc/63/56/30/961635630.db2.gz GHECTKAGSMZXSI-SJORKVTESA-N -1 0 346.471 3.569 20 0 EHADRM CC(C)[C@H](CNC(=O)N[C@@H](CC1CCC1)c1ccccc1)C(=O)[O-] ZINC001588822982 961641331 /nfs/dbraw/zinc/64/13/31/961641331.db2.gz HGLIACCGUQPKSP-IRXDYDNUSA-N -1 0 332.444 3.574 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H](c3ccccc3)CC2)c(F)c1 ZINC000262352177 961665099 /nfs/dbraw/zinc/66/50/99/961665099.db2.gz HKUTVWPKEUCGCA-OAHLLOKOSA-N -1 0 341.382 3.934 20 0 EHADRM CCc1ccc(C(C)(C)CNC(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC001573955549 961670617 /nfs/dbraw/zinc/67/06/17/961670617.db2.gz ZMPDQESMTMMIPV-UHFFFAOYSA-N -1 0 339.435 3.584 20 0 EHADRM CCCc1nc(C)c(C(=O)Nc2cccc(CCC(=O)[O-])c2)s1 ZINC000262363149 961671763 /nfs/dbraw/zinc/67/17/63/961671763.db2.gz HDZOCGWROPVRCT-UHFFFAOYSA-N -1 0 332.425 3.674 20 0 EHADRM CCc1cccc(Oc2ccc(NC(=O)C3(C(=O)[O-])CCC3)cn2)c1 ZINC001573960716 961683420 /nfs/dbraw/zinc/68/34/20/961683420.db2.gz NJMPJLZIHJZIJN-UHFFFAOYSA-N -1 0 340.379 3.630 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(Cn3cccc3)cc2)ccc1F ZINC001333553337 961719936 /nfs/dbraw/zinc/71/99/36/961719936.db2.gz WOPHTXPIFKWLFO-UHFFFAOYSA-N -1 0 338.338 3.626 20 0 EHADRM CCn1ncc(C(=O)Nc2cccc(C(=O)[O-])c2)c1-c1ccccc1 ZINC001573972396 961746798 /nfs/dbraw/zinc/74/67/98/961746798.db2.gz ZZGFJQFFDGITHK-UHFFFAOYSA-N -1 0 335.363 3.521 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC000262495205 961751307 /nfs/dbraw/zinc/75/13/07/961751307.db2.gz ZYFVMEKLENPMSC-DZGCQCFKSA-N -1 0 341.382 3.851 20 0 EHADRM CC(C)c1oc(-c2ccccc2)nc1C(=O)N1CCC[C@@]1(C)C(=O)[O-] ZINC001334027000 961752795 /nfs/dbraw/zinc/75/27/95/961752795.db2.gz UVSVPEWFZWPWLN-IBGZPJMESA-N -1 0 342.395 3.544 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CCCOc1ccc(F)cc1 ZINC000262529319 961760770 /nfs/dbraw/zinc/76/07/70/961760770.db2.gz PGBRMCNYLXYFIG-UHFFFAOYSA-N -1 0 345.370 3.938 20 0 EHADRM Cc1ccc(OCC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1C ZINC000262574546 961778885 /nfs/dbraw/zinc/77/88/85/961778885.db2.gz ZQZUTQGGTTZEDY-UHFFFAOYSA-N -1 0 327.380 3.636 20 0 EHADRM C[C@H](CC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1)c1ccc(F)cc1 ZINC000262594224 961783511 /nfs/dbraw/zinc/78/35/11/961783511.db2.gz IMNFXZAUHGGTRR-SJKOYZFVSA-N -1 0 347.361 3.791 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)CCCOCCc1ccccc1 ZINC001334358947 961801571 /nfs/dbraw/zinc/80/15/71/961801571.db2.gz OAQDBBMYMDUWBT-UHFFFAOYSA-N -1 0 341.407 3.671 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N(Cc1ccccc1Cl)C1CCCC1 ZINC000262683835 961804011 /nfs/dbraw/zinc/80/40/11/961804011.db2.gz XQDDXMINSWQLJN-LSDHHAIUSA-N -1 0 335.831 3.722 20 0 EHADRM CCC[C@H](CCc1ccccc1)NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262695247 961810297 /nfs/dbraw/zinc/81/02/97/961810297.db2.gz FZKVCRJTJYSJSR-KZNAEPCWSA-N -1 0 331.456 3.795 20 0 EHADRM CCC[C@@H](CCc1ccccc1)NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262695246 961810621 /nfs/dbraw/zinc/81/06/21/961810621.db2.gz FZKVCRJTJYSJSR-BZSNNMDCSA-N -1 0 331.456 3.795 20 0 EHADRM O=C([O-])c1cncc(NC(=O)/C=C/c2ccc(F)c3ccccc23)c1 ZINC001574513125 961819563 /nfs/dbraw/zinc/81/95/63/961819563.db2.gz FKBQQCYLULYFBC-SOFGYWHQSA-N -1 0 336.322 3.724 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000262759347 961852592 /nfs/dbraw/zinc/85/25/92/961852592.db2.gz KIVUSKFGOARZIK-SUMWQHHRSA-N -1 0 345.826 3.503 20 0 EHADRM Cc1ccc(C(C)(C)CN(C)C(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC000262800662 961873962 /nfs/dbraw/zinc/87/39/62/961873962.db2.gz MJKKHRDDENPJGY-UHFFFAOYSA-N -1 0 339.435 3.672 20 0 EHADRM CC(C)C[C@@H](CNC(=O)[C@H](c1ccncc1)C1CCCCC1)C(=O)[O-] ZINC001588847427 961901241 /nfs/dbraw/zinc/90/12/41/961901241.db2.gz RKFAQXKBKNDIEG-ROUUACIJSA-N -1 0 346.471 3.609 20 0 EHADRM Cc1cccc2c(CCC(=O)N[C@@]3(C)CCCC[C@@H]3C(=O)[O-])c[nH]c21 ZINC000262845268 961912585 /nfs/dbraw/zinc/91/25/85/961912585.db2.gz SPMJKWHURMGFEO-UZLBHIALSA-N -1 0 342.439 3.559 20 0 EHADRM CC(C)C[C@H](CNC(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)[O-] ZINC001588848543 961912666 /nfs/dbraw/zinc/91/26/66/961912666.db2.gz URGUYDKCFXOBKL-JHJVBQTASA-N -1 0 337.382 3.608 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC001574538182 961928630 /nfs/dbraw/zinc/92/86/30/961928630.db2.gz OVXJUZMSYMEFCV-KOMQPUFPSA-N -1 0 343.810 3.643 20 0 EHADRM CC(C)C[C@H](CNC(=O)N[C@H](C)c1cc(Cl)ccc1F)C(=O)[O-] ZINC001588853234 961955403 /nfs/dbraw/zinc/95/54/03/961955403.db2.gz TYTIRUMOQAEALO-GHMZBOCLSA-N -1 0 344.814 3.586 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ccc(F)cc1 ZINC000262883111 961957635 /nfs/dbraw/zinc/95/76/35/961957635.db2.gz KSTULWIFYUNKGP-IIVZCXTMSA-N -1 0 347.430 3.717 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)c2ccc(Cl)c(F)c2)c2ccccc21 ZINC001574557308 961997013 /nfs/dbraw/zinc/99/70/13/961997013.db2.gz IUEQAHWJUOZQCZ-WFASDCNBSA-N -1 0 333.746 3.522 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2C)nn1-c1ccc(C)cc1 ZINC001339078776 961998620 /nfs/dbraw/zinc/99/86/20/961998620.db2.gz BELZBJWKFOCWNL-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)c2cccc(-n3cccc3)c2)c2ccccc21 ZINC001574558166 962002624 /nfs/dbraw/zinc/00/26/24/962002624.db2.gz OOUZNGNEAXPVNC-RBUKOAKNSA-N -1 0 346.386 3.520 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1cc2c(s1)CCCC2 ZINC000262932116 962015841 /nfs/dbraw/zinc/01/58/41/962015841.db2.gz LJKUBURYUKKNPF-UHFFFAOYSA-N -1 0 331.393 3.586 20 0 EHADRM C[C@@H](CC(=O)NCCC(C)(C)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000262935845 962018938 /nfs/dbraw/zinc/01/89/38/962018938.db2.gz HIZKKKUBAHATPN-NSHDSACASA-N -1 0 345.361 3.816 20 0 EHADRM Cn1c2ccccc2c(Cl)c1C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000262939805 962023907 /nfs/dbraw/zinc/02/39/07/962023907.db2.gz LGAQDSNNRVXFJQ-UHFFFAOYSA-N -1 0 348.830 3.597 20 0 EHADRM CC(C)CN(Cc1cccc(Cl)c1)C(=O)c1ccc(C(=O)[O-])nc1 ZINC001588870272 962053066 /nfs/dbraw/zinc/05/30/66/962053066.db2.gz DFCCFXRGBSSNSF-UHFFFAOYSA-N -1 0 346.814 3.732 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000262988492 962079791 /nfs/dbraw/zinc/07/97/91/962079791.db2.gz QAEUBHSSYALTIR-ZMZPIMSZSA-N -1 0 345.370 3.578 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)N2CCCCC[C@H]2/C=C\c2ccccc2)C1 ZINC001574593688 962138316 /nfs/dbraw/zinc/13/83/16/962138316.db2.gz JIQYBTRNOYYWPL-BOHKYJLESA-N -1 0 342.439 3.517 20 0 EHADRM C[C@H]1CN(C(=O)CCCc2csc3ccccc23)CC[C@H]1C(=O)[O-] ZINC000263027248 962138612 /nfs/dbraw/zinc/13/86/12/962138612.db2.gz QQSDCCVDRGLBJG-DZGCQCFKSA-N -1 0 345.464 3.793 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)Nc2ccc(C(=O)[O-])cc2C)c1 ZINC001341820166 962141534 /nfs/dbraw/zinc/14/15/34/962141534.db2.gz MWCURNFHDGEXOC-LBPRGKRZSA-N -1 0 327.380 3.834 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1cc2c3ccccc3n(C)c2s1)C(=O)[O-] ZINC001588886615 962175957 /nfs/dbraw/zinc/17/59/57/962175957.db2.gz OOKSNAZQGDFMCU-CYBMUJFWSA-N -1 0 344.436 3.622 20 0 EHADRM Cc1cscc1C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC000263046034 962175932 /nfs/dbraw/zinc/17/59/32/962175932.db2.gz FLBSRYZYVSQRQB-UONOGXRCSA-N -1 0 349.839 3.650 20 0 EHADRM C[C@H](CC(F)(F)F)C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001344522066 962186267 /nfs/dbraw/zinc/18/62/67/962186267.db2.gz HGWFBLYRRFBOPX-YGRLFVJLSA-N -1 0 339.313 3.670 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@@H]1CCc2c1cccc2Cl)CC(=O)[O-] ZINC001588887930 962193198 /nfs/dbraw/zinc/19/31/98/962193198.db2.gz FTQDBSFCIRAKHJ-SWLSCSKDSA-N -1 0 337.847 3.623 20 0 EHADRM CC(C)C[C@H](CNC(=O)NCC[C@H]1CCCC[C@@H]1C)CC(=O)[O-] ZINC001588892601 962210442 /nfs/dbraw/zinc/21/04/42/962210442.db2.gz UYJGOELGBNPZHT-HRCADAONSA-N -1 0 326.481 3.639 20 0 EHADRM C[C@H](Oc1ccccc1NC(=O)NCCCC(=O)[O-])c1ccccc1 ZINC000263071278 962212462 /nfs/dbraw/zinc/21/24/62/962212462.db2.gz PYGOABQZFVWFOJ-AWEZNQCLSA-N -1 0 342.395 3.813 20 0 EHADRM O=C([O-])[C@@H](C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1)C1CCCC1 ZINC001574615495 962213325 /nfs/dbraw/zinc/21/33/25/962213325.db2.gz BLBNHOLPPQJECI-GOEBONIOSA-N -1 0 335.831 3.547 20 0 EHADRM O=C([O-])[C@H](C(=O)NCCCCCc1ccc(F)cc1)C1CCCC1 ZINC001574615959 962217405 /nfs/dbraw/zinc/21/74/05/962217405.db2.gz CBSNJIQUAGEGMR-KRWDZBQOSA-N -1 0 335.419 3.546 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1cc(-c2ccccc2)ccn1)CC(=O)[O-] ZINC001588894258 962222705 /nfs/dbraw/zinc/22/27/05/962222705.db2.gz IBWUVFDWVCFHMP-HNNXBMFYSA-N -1 0 340.423 3.615 20 0 EHADRM O=C([O-])[C@@H](C(=O)NCc1c(Cl)oc2ccccc21)C1CCCC1 ZINC001574616673 962227596 /nfs/dbraw/zinc/22/75/96/962227596.db2.gz JAJJILLLIVORGH-CQSZACIVSA-N -1 0 335.787 3.593 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)CCCc1cccs1 ZINC000263085019 962231236 /nfs/dbraw/zinc/23/12/36/962231236.db2.gz ZOBMSJMUJKYRRV-CQSZACIVSA-N -1 0 331.437 3.573 20 0 EHADRM O=C([O-])[C@@H](C(=O)OCc1cccc(C(F)(F)F)c1)C1CCCC1 ZINC001574620552 962243822 /nfs/dbraw/zinc/24/38/22/962243822.db2.gz CXTQYKNJGJZHMI-ZDUSSCGKSA-N -1 0 330.302 3.640 20 0 EHADRM CC(C)c1ccc(C(=O)N(C)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000263113936 962265326 /nfs/dbraw/zinc/26/53/26/962265326.db2.gz RTWUMAHXPFJOTC-UHFFFAOYSA-N -1 0 327.380 3.550 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)N2CCC[C@H](CC(=O)[O-])C2)c1 ZINC001588906243 962277977 /nfs/dbraw/zinc/27/79/77/962277977.db2.gz SRXRQJBWVYVZGO-NVXWUHKLSA-N -1 0 331.456 3.702 20 0 EHADRM CC(C)Cc1ccc(CCCC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001588906256 962278103 /nfs/dbraw/zinc/27/81/03/962278103.db2.gz UNKHWNZPPQJXHL-MSOLQXFVSA-N -1 0 331.456 3.577 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)CC2=CCCCC2)C[C@H]1c1ccc(Cl)cc1 ZINC000263147788 962301739 /nfs/dbraw/zinc/30/17/39/962301739.db2.gz WNGJYTAQTSUEQQ-DLBZAZTESA-N -1 0 347.842 3.857 20 0 EHADRM O=C([O-])[C@@]1(C(=O)N[C@H]2C[C@H](c3ccccc3Cl)C2)CC=CCC1 ZINC001574633148 962306698 /nfs/dbraw/zinc/30/66/98/962306698.db2.gz KURONWFOEVGOOO-LXIYXOSZSA-N -1 0 333.815 3.513 20 0 EHADRM CC(C)Cn1ccc2c1cccc2C(=O)N1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC001588911650 962318448 /nfs/dbraw/zinc/31/84/48/962318448.db2.gz LHEUUVNGLFRTIM-KDOFPFPSSA-N -1 0 342.439 3.623 20 0 EHADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccccc1Sc1ccccc1 ZINC000263172818 962326212 /nfs/dbraw/zinc/32/62/12/962326212.db2.gz KVTHNCOOWNLIHP-ZFWWWQNUSA-N -1 0 341.432 3.773 20 0 EHADRM C[C@@H](CCC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000263185828 962340653 /nfs/dbraw/zinc/34/06/53/962340653.db2.gz SAPSJQSTOOBSTK-HNNXBMFYSA-N -1 0 325.408 3.927 20 0 EHADRM Cc1cc2c(cc1C)[C@H](C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1)CO2 ZINC000263195660 962349509 /nfs/dbraw/zinc/34/95/09/962349509.db2.gz JDEKPDGHUDJLNA-SUMWQHHRSA-N -1 0 339.391 3.606 20 0 EHADRM CC(C)(C)Sc1ccc(NC(=O)NCCCC(=O)[O-])cc1F ZINC000263199657 962355216 /nfs/dbraw/zinc/35/52/16/962355216.db2.gz XBCSRFIIPPVTEK-UHFFFAOYSA-N -1 0 328.409 3.703 20 0 EHADRM CCOc1ccc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cc1OC ZINC000263202095 962356969 /nfs/dbraw/zinc/35/69/69/962356969.db2.gz KCUGLCSZMRDCNA-LBPRGKRZSA-N -1 0 343.379 3.534 20 0 EHADRM Cc1ccc(C)c(OCC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c1 ZINC000263201857 962357289 /nfs/dbraw/zinc/35/72/89/962357289.db2.gz JZURPRMCQZNTLK-AWEZNQCLSA-N -1 0 327.380 3.509 20 0 EHADRM CC(C)(CC(=O)Nc1cccc(CSCC(=O)[O-])c1)C(F)(F)F ZINC000263204474 962359831 /nfs/dbraw/zinc/35/98/31/962359831.db2.gz VPUMXAGWGKTWAT-UHFFFAOYSA-N -1 0 349.374 3.922 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC000263206776 962361960 /nfs/dbraw/zinc/36/19/60/962361960.db2.gz ZDYSZXLKROSCSH-HOCLYGCPSA-N -1 0 347.455 3.934 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N1CCC[C@@H](C2CCCC2)C1 ZINC001346383363 962371737 /nfs/dbraw/zinc/37/17/37/962371737.db2.gz QGYIVWSNUPKRPF-QGZVFWFLSA-N -1 0 329.440 3.746 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2csc3c2CCCC3)cc1F ZINC000263222269 962372916 /nfs/dbraw/zinc/37/29/16/962372916.db2.gz PHPUJNFUTVVKDD-UHFFFAOYSA-N -1 0 333.384 3.645 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)CCCc1csc2ccccc12 ZINC000263239303 962385435 /nfs/dbraw/zinc/38/54/35/962385435.db2.gz TVNMRUJXAULNCX-OCCSQVGLSA-N -1 0 331.437 3.546 20 0 EHADRM COc1ccc2oc([C@H](C)NC(=O)CCCCC(=O)[O-])c(C)c2c1 ZINC000263253182 962395288 /nfs/dbraw/zinc/39/52/88/962395288.db2.gz FCZAXRSXVMCUEI-LBPRGKRZSA-N -1 0 333.384 3.572 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C1 ZINC000263274739 962415355 /nfs/dbraw/zinc/41/53/55/962415355.db2.gz MYZOSIBRLRPZGN-WBOJAVRRSA-N -1 0 333.403 3.626 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C1 ZINC000263274744 962415718 /nfs/dbraw/zinc/41/57/18/962415718.db2.gz MYZOSIBRLRPZGN-WSMBLCCSSA-N -1 0 333.403 3.626 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000263311841 962454003 /nfs/dbraw/zinc/45/40/03/962454003.db2.gz PIVYMOXUODHGEI-UHFFFAOYSA-N -1 0 328.412 3.519 20 0 EHADRM O=C([O-])c1ccc(CC(=O)Nc2ccc(OC3CCCC3)cc2)cc1 ZINC000263339827 962491004 /nfs/dbraw/zinc/49/10/04/962491004.db2.gz OQABVAVJBVACMC-UHFFFAOYSA-N -1 0 339.391 3.887 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)OCc2ccc(OCC3CC3)cc2)co1 ZINC001574667956 962527710 /nfs/dbraw/zinc/52/77/10/962527710.db2.gz RZRANCIJYJPZJH-FPLPWBNLSA-N -1 0 342.347 3.523 20 0 EHADRM Cn1c(C(=O)[O-])ccc1[C@H]1CCCCN1C(=O)/C=C/C1CCCC1 ZINC001349995985 962529382 /nfs/dbraw/zinc/52/93/82/962529382.db2.gz GHODGQXOTXTJSH-ONOODXEBSA-N -1 0 330.428 3.523 20 0 EHADRM O=C([O-])c1ccccc1-c1ccccc1C(=O)NC(C1CC1)C1CC1 ZINC000263394122 962554536 /nfs/dbraw/zinc/55/45/36/962554536.db2.gz FCUNKWHCWAYXND-UHFFFAOYSA-N -1 0 335.403 3.970 20 0 EHADRM O=C([O-])c1ccnc(C(=O)N2CCCC[C@H]2c2cccc(Cl)c2)c1 ZINC000263403244 962568227 /nfs/dbraw/zinc/56/82/27/962568227.db2.gz JPRRZEAMKQZPAY-INIZCTEOSA-N -1 0 344.798 3.801 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(C(=O)c1cc(C(=O)[O-])ccn1)C1CC1 ZINC000263408545 962573939 /nfs/dbraw/zinc/57/39/39/962573939.db2.gz LMKJPHSYOZHPRY-NSHDSACASA-N -1 0 344.798 3.799 20 0 EHADRM Cc1cc(Cl)cc(C)c1NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001350968054 962608876 /nfs/dbraw/zinc/60/88/76/962608876.db2.gz ZXRHRQZUIDLHOU-UONOGXRCSA-N -1 0 336.819 3.531 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)Nc1ccccc1CC(F)(F)F ZINC000263437662 962616247 /nfs/dbraw/zinc/61/62/47/962616247.db2.gz OYIYQCNJCXDNNB-UHFFFAOYSA-N -1 0 341.285 3.572 20 0 EHADRM CC(C)c1cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)c2ccccc2n1 ZINC001588964144 962645083 /nfs/dbraw/zinc/64/50/83/962645083.db2.gz SWIZWUDUBQMSEE-KGLIPLIRSA-N -1 0 340.423 3.684 20 0 EHADRM O=C([O-])C1CCC(NC(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000263457487 962646714 /nfs/dbraw/zinc/64/67/14/962646714.db2.gz UXHPSBVKJJQTDN-UHFFFAOYSA-N -1 0 349.736 3.732 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263472789 962659678 /nfs/dbraw/zinc/65/96/78/962659678.db2.gz LURMOJROCNQSMO-MBZIKMLFSA-N -1 0 344.455 3.606 20 0 EHADRM CC(C)c1cccc2c1CCN(C(=O)/C=C/c1ccc(C(=O)[O-])o1)C2 ZINC001588969677 962667128 /nfs/dbraw/zinc/66/71/28/962667128.db2.gz RDRWCMYMBUOZQF-VQHVLOKHSA-N -1 0 339.391 3.699 20 0 EHADRM Cc1cc(F)ccc1NC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263504076 962687254 /nfs/dbraw/zinc/68/72/54/962687254.db2.gz UXBZYJJCMFZVRT-INIZCTEOSA-N -1 0 344.386 3.732 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)C2(Cc3cccc(F)c3)CCC2)cc1 ZINC000263507858 962689336 /nfs/dbraw/zinc/68/93/36/962689336.db2.gz BNNBJTZHKLHMEP-UHFFFAOYSA-N -1 0 341.382 3.804 20 0 EHADRM COCc1cc(NC(=O)[C@@H](c2ccccc2)C2CC2)cc(C(=O)[O-])c1 ZINC000263514030 962696157 /nfs/dbraw/zinc/69/61/57/962696157.db2.gz DDXXKHQIZLVOFF-SFHVURJKSA-N -1 0 339.391 3.664 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc3c(c2)CCC=C3)C[C@H]1c1ccccc1 ZINC000263520669 962700308 /nfs/dbraw/zinc/70/03/08/962700308.db2.gz HCLXTOKWHIOISW-VQTJNVASSA-N -1 0 347.414 3.586 20 0 EHADRM C[C@H](CCC(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000263545783 962721373 /nfs/dbraw/zinc/72/13/73/962721373.db2.gz UAFHHAATJBDBIH-CQSZACIVSA-N -1 0 327.380 3.672 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Cc2ccc(Cl)s2)cc1 ZINC000263548391 962721901 /nfs/dbraw/zinc/72/19/01/962721901.db2.gz VEQRSNZDJIWJPE-UHFFFAOYSA-N -1 0 337.828 3.945 20 0 EHADRM Cc1oc(-c2ccccc2)c(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1C ZINC000263553207 962725293 /nfs/dbraw/zinc/72/52/93/962725293.db2.gz XMGDENPDLSYCGQ-LJQANCHMSA-N -1 0 327.380 3.500 20 0 EHADRM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000263572135 962737183 /nfs/dbraw/zinc/73/71/83/962737183.db2.gz KMOGADROQMFJTJ-GJZGRUSLSA-N -1 0 327.380 3.695 20 0 EHADRM C[C@@H]1CCCC[C@@]1(C)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000308412771 963272618 /nfs/dbraw/zinc/27/26/18/963272618.db2.gz DZFBVRYRIQLWDW-JDNHERCYSA-N -1 0 326.343 3.753 20 0 EHADRM O=C([O-])c1ccc(NCc2cccc(OCc3ccccc3)c2)cn1 ZINC000311196003 963467303 /nfs/dbraw/zinc/46/73/03/963467303.db2.gz IBODBQYMFNEGIH-UHFFFAOYSA-N -1 0 334.375 3.971 20 0 EHADRM Cc1oc(CNC(=O)N[C@@H]2CCCC23CCCCC3)cc1C(=O)[O-] ZINC000313070669 963617455 /nfs/dbraw/zinc/61/74/55/963617455.db2.gz IZRQQTWQDCAODK-OAHLLOKOSA-N -1 0 334.416 3.588 20 0 EHADRM Cc1cccc(Br)c1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000313466565 963644172 /nfs/dbraw/zinc/64/41/72/963644172.db2.gz DRMUNMQDJKSPLS-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM O=C([O-])c1cccc(C(=O)NCCc2ccc(Cl)cc2Cl)c1 ZINC000314272325 963734244 /nfs/dbraw/zinc/73/42/44/963734244.db2.gz JVDSFRGLXQVKOH-UHFFFAOYSA-N -1 0 338.190 3.664 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1 ZINC000314491051 963759903 /nfs/dbraw/zinc/75/99/03/963759903.db2.gz OZTBSILVKPDOMQ-UHFFFAOYSA-N -1 0 332.768 3.900 20 0 EHADRM CC(C)C(=O)Nc1ccc(N[C@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC000314599161 963775444 /nfs/dbraw/zinc/77/54/44/963775444.db2.gz CNFCLEBUJZWIDQ-SNVBAGLBSA-N -1 0 333.413 3.609 20 0 EHADRM C[C@H](Nc1ccc(OC(F)(F)F)cc1)c1ncc(C(=O)[O-])s1 ZINC000315447163 963902951 /nfs/dbraw/zinc/90/29/51/963902951.db2.gz XVIQAQHKOVCXHC-ZETCQYMHSA-N -1 0 332.303 3.913 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)[C@@H]2Cc3ccccc3S2)s1 ZINC000315529737 963912123 /nfs/dbraw/zinc/91/21/23/963912123.db2.gz KNORYOYMHCLDEV-ZDUSSCGKSA-N -1 0 333.434 3.664 20 0 EHADRM O=C([O-])c1c(Cl)cccc1NC(=O)N1CCc2sccc2C1 ZINC000315586222 963917005 /nfs/dbraw/zinc/91/70/05/963917005.db2.gz RFTUWOZQEVEKRT-UHFFFAOYSA-N -1 0 336.800 3.690 20 0 EHADRM O=C([O-])c1sc(N2CCC(Cc3ccccc3)CC2)nc1Cl ZINC000316099088 963976847 /nfs/dbraw/zinc/97/68/47/963976847.db2.gz IRUZZJQMWQWWMA-UHFFFAOYSA-N -1 0 336.844 3.954 20 0 EHADRM Cc1cc(C(=O)[O-])c(NC(=O)[C@H](C)Oc2ccccc2Cl)s1 ZINC000316391523 964007650 /nfs/dbraw/zinc/00/76/50/964007650.db2.gz YNSYIQVGCGLVBF-VIFPVBQESA-N -1 0 339.800 3.814 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)CCOc1cc(Cl)cc(Cl)c1 ZINC000236824380 967781027 /nfs/dbraw/zinc/78/10/27/967781027.db2.gz AISINEMPYOJQTP-UHFFFAOYSA-N -1 0 348.226 3.522 20 0 EHADRM CCN(C(=O)[C@@H]1CC[C@H]1C(=O)[O-])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000262688699 967826169 /nfs/dbraw/zinc/82/61/69/967826169.db2.gz ZMPBDSVGBKXKKM-LERXQTSPSA-N -1 0 343.345 3.726 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])C[N@H+](Cc2ccc(Br)c(Cl)c2)C1 ZINC000263061049 967840603 /nfs/dbraw/zinc/84/06/03/967840603.db2.gz MSKHCZWPOXPARC-ONGXEEELSA-N -1 0 346.652 3.645 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000263069806 967843249 /nfs/dbraw/zinc/84/32/49/967843249.db2.gz UBZILNNYTAAFBK-JQWIXIFHSA-N -1 0 341.860 3.635 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc(OC3CCCC3)cc2)C1 ZINC000263081226 967845180 /nfs/dbraw/zinc/84/51/80/967845180.db2.gz HSQKYXIEMDHUKO-KBPBESRZSA-N -1 0 346.427 3.583 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)N(C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000263385002 967884729 /nfs/dbraw/zinc/88/47/29/967884729.db2.gz POPJFRUISCWITP-KBXCAEBGSA-N -1 0 338.407 3.678 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000263390761 967885418 /nfs/dbraw/zinc/88/54/18/967885418.db2.gz YPZXKJZLJUOAPI-WPRPVWTQSA-N -1 0 349.736 3.542 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ncccc1C(=O)[O-] ZINC000316059112 967977408 /nfs/dbraw/zinc/97/74/08/967977408.db2.gz OMHGGGAFYZTRKU-SECBINFHSA-N -1 0 336.800 3.553 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)C(C)(C)Oc1ccc(F)cc1 ZINC000324121402 968028554 /nfs/dbraw/zinc/02/85/54/968028554.db2.gz PZKQTPVUZSAUIN-UHFFFAOYSA-N -1 0 331.343 3.628 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)CCC1 ZINC000327454113 968049599 /nfs/dbraw/zinc/04/95/99/968049599.db2.gz JLYANPUUWPDEDD-UHFFFAOYSA-N -1 0 336.391 3.634 20 0 EHADRM CC(C)C[C@H](NC(=O)c1cccc(Nc2ccccc2)c1)C(=O)[O-] ZINC000360814142 968056142 /nfs/dbraw/zinc/05/61/42/968056142.db2.gz AIIVWZIYOCPTPE-KRWDZBQOSA-N -1 0 326.396 3.659 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(COc2ccccc2)cc1 ZINC000564979206 968421579 /nfs/dbraw/zinc/42/15/79/968421579.db2.gz RFKTVAORRISUHX-QGZVFWFLSA-N -1 0 327.380 3.561 20 0 EHADRM C[C@@H]1CCN(C(=O)C2(c3cccs3)CCCCC2)C[C@@H]1C(=O)[O-] ZINC000573921446 968453006 /nfs/dbraw/zinc/45/30/06/968453006.db2.gz YLHDJDSRQVKOJX-KGLIPLIRSA-N -1 0 335.469 3.519 20 0 EHADRM C[C@H](C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C)c1ccccc1C(F)(F)F ZINC000643433659 968555394 /nfs/dbraw/zinc/55/53/94/968555394.db2.gz VUOFBRZBQSWOEB-GRYCIOLGSA-N -1 0 343.345 3.521 20 0 EHADRM CC(C)[C@@H](CNC(=O)CC(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000655570839 968682336 /nfs/dbraw/zinc/68/23/36/968682336.db2.gz ASSWIJHHXCCXIW-LJQANCHMSA-N -1 0 339.435 3.682 20 0 EHADRM C[C@@H](C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccc(Cl)cc1 ZINC000655574220 968683688 /nfs/dbraw/zinc/68/36/88/968683688.db2.gz LVUMHQWVEGELGX-FDRIWYBQSA-N -1 0 337.847 3.695 20 0 EHADRM CC(C)[C@H](CNC(=O)N[C@H](C)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000655870198 968699212 /nfs/dbraw/zinc/69/92/12/968699212.db2.gz PGDKVUWXIYQXNB-KOLCDFICSA-N -1 0 347.242 3.710 20 0 EHADRM C[C@H](NC(=O)NCC1(C(=O)[O-])CCC1)c1cc2ccccc2s1 ZINC000659400807 968732654 /nfs/dbraw/zinc/73/26/54/968732654.db2.gz AURFOFCWDZPDJU-NSHDSACASA-N -1 0 332.425 3.516 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1C[C@H](C)[C@@H]1c1ccccc1)CC(=O)[O-] ZINC000659418117 968738738 /nfs/dbraw/zinc/73/87/38/968738738.db2.gz YSOZGKGBZWJNKE-RLFYNMQTSA-N -1 0 332.444 3.526 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(c2nc3cccc(OC(F)F)c3s2)C1 ZINC000662879335 968758810 /nfs/dbraw/zinc/75/88/10/968758810.db2.gz JLEHKOWROCPABJ-VIFPVBQESA-N -1 0 342.367 3.589 20 0 EHADRM CC(C)[C@@H]1c2ccccc2CCN1C(=O)NCCCCCC(=O)[O-] ZINC000666554383 968844726 /nfs/dbraw/zinc/84/47/26/968844726.db2.gz QUXUBRRWMVUQBG-GOSISDBHSA-N -1 0 332.444 3.596 20 0 EHADRM CC(C)C[C@H](C)n1nccc1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000669503332 968856312 /nfs/dbraw/zinc/85/63/12/968856312.db2.gz ZJLOHCSZWMJHGG-ZDUSSCGKSA-N -1 0 344.415 3.510 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)C1CC(c2ccc(F)cc2)C1 ZINC000872718359 969351682 /nfs/dbraw/zinc/35/16/82/969351682.db2.gz PFPGYOJDDXZACD-DQPZFDDXSA-N -1 0 333.403 3.565 20 0 EHADRM CCCOc1ccc(NCc2cc(C(=O)[O-])nn2C)cc1C(C)C ZINC000883518510 969406106 /nfs/dbraw/zinc/40/61/06/969406106.db2.gz UBMHVWBRTIJQHQ-UHFFFAOYSA-N -1 0 331.416 3.643 20 0 EHADRM CC(C)(CCNC(=O)C(C)(C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000901690781 969459004 /nfs/dbraw/zinc/45/90/04/969459004.db2.gz QRASILSPERFSOX-UHFFFAOYSA-N -1 0 345.361 3.600 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC000902701908 969558027 /nfs/dbraw/zinc/55/80/27/969558027.db2.gz OBXRKQCZNROVHD-YGRLFVJLSA-N -1 0 333.281 3.699 20 0 EHADRM C[C@]1(Cc2ccc(Cl)c(F)c2)CCCN1C(=O)CCCC(=O)[O-] ZINC001332448286 969723097 /nfs/dbraw/zinc/72/30/97/969723097.db2.gz RNIXJDGSBCJJPC-QGZVFWFLSA-N -1 0 341.810 3.658 20 0 EHADRM C[C@H](NC(=O)[C@@H](C(=O)[O-])C1CCCC1)c1nc(C(C)(C)C)cs1 ZINC001350421194 969770228 /nfs/dbraw/zinc/77/02/28/969770228.db2.gz DFORVTANHOVMQX-GWCFXTLKSA-N -1 0 338.473 3.509 20 0 EHADRM Cc1ccc(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)c(F)c1Cl ZINC001574351338 969855612 /nfs/dbraw/zinc/85/56/12/969855612.db2.gz OWJZNJSXEDZEIE-KRWDZBQOSA-N -1 0 335.762 3.517 20 0 EHADRM Cc1c(NC(=O)NCCc2ccc(Cl)s2)cccc1C(=O)[O-] ZINC000318774345 970470730 /nfs/dbraw/zinc/47/07/30/970470730.db2.gz NLFFIGGOQXBQLB-UHFFFAOYSA-N -1 0 338.816 3.772 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)c1ccc(F)cc1Cl ZINC000318895332 970485780 /nfs/dbraw/zinc/48/57/80/970485780.db2.gz PIDVWOKGNLUZLJ-AWEZNQCLSA-N -1 0 327.783 3.633 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)c1cnc(Cl)c(Cl)c1 ZINC000318995764 970494485 /nfs/dbraw/zinc/49/44/85/970494485.db2.gz LPIBYGFNCDPVRY-LBPRGKRZSA-N -1 0 345.226 3.542 20 0 EHADRM CC[C@@H](C)[C@H](C)Nc1cc(I)cc(C(=O)[O-])c1 ZINC000319550463 970546578 /nfs/dbraw/zinc/54/65/78/970546578.db2.gz OLJXHXGNACCGOK-BDAKNGLRSA-N -1 0 347.196 3.836 20 0 EHADRM COc1ccc(Cl)cc1CN1CCCc2c(C(=O)[O-])cccc21 ZINC000320071491 970610132 /nfs/dbraw/zinc/61/01/32/970610132.db2.gz WHOGYIYULLKIGO-UHFFFAOYSA-N -1 0 331.799 4.000 20 0 EHADRM O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCC(F)(F)C1 ZINC000320432490 970663968 /nfs/dbraw/zinc/66/39/68/970663968.db2.gz RULULPIJGSXBHP-ZETCQYMHSA-N -1 0 337.244 3.778 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000320885980 970726453 /nfs/dbraw/zinc/72/64/53/970726453.db2.gz SMMDUISYOUMSKI-LLVKDONJSA-N -1 0 332.787 3.850 20 0 EHADRM CC(C)(C)c1nc(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)cs1 ZINC000321146143 970748161 /nfs/dbraw/zinc/74/81/61/970748161.db2.gz FQPMLQORXWYEHN-OAHLLOKOSA-N -1 0 330.453 3.625 20 0 EHADRM Cc1cc(Br)cc(Cl)c1NC(=O)CCCC(=O)[O-] ZINC001600070109 970753939 /nfs/dbraw/zinc/75/39/39/970753939.db2.gz MWAOFAHPPWKAGU-UHFFFAOYSA-N -1 0 334.597 3.604 20 0 EHADRM CSc1ccc(CCCC(=O)N2[C@H](C)CCC[C@@H]2C(=O)[O-])cc1 ZINC001604964685 972550771 /nfs/dbraw/zinc/55/07/71/972550771.db2.gz ADIYEQUGMXAWAY-CZUORRHYSA-N -1 0 335.469 3.585 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)N[C@H]2CCCC23CC3)c1Cl ZINC001605851811 972598815 /nfs/dbraw/zinc/59/88/15/972598815.db2.gz UBIURLIAIKPETE-JTQLQIEISA-N -1 0 326.755 3.632 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@@H]2CCc3cccc4cccc2c43)ccn1 ZINC001605869031 972635471 /nfs/dbraw/zinc/63/54/71/972635471.db2.gz TXMDNLMMVRWRER-MRXNPFEDSA-N -1 0 347.374 3.742 20 0 EHADRM CC1(C)C[C@@]1(CNC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C)c1ccccc1 ZINC001603323551 972658505 /nfs/dbraw/zinc/65/85/05/972658505.db2.gz BLMMZVDIMNITDX-HXUWFJFHSA-N -1 0 343.467 3.608 20 0 EHADRM C[C@H]1CC[C@@](C)(CNC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)C1(C)C ZINC001605053810 972668287 /nfs/dbraw/zinc/66/82/87/972668287.db2.gz XVAITNJVUVQMFR-DOXZYTNZSA-N -1 0 338.492 3.735 20 0 EHADRM CC1(C)CCCc2sc(NC(=O)[C@H](C(=O)[O-])C3CCCC3)nc21 ZINC001603329113 972688869 /nfs/dbraw/zinc/68/88/69/972688869.db2.gz ZAWWYTCFPPQVQF-GFCCVEGCSA-N -1 0 336.457 3.587 20 0 EHADRM C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001603354509 972791043 /nfs/dbraw/zinc/79/10/43/972791043.db2.gz JBZUBRBZIWFQBX-MFKMUULPSA-N -1 0 344.333 3.508 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@@H](c2ncccc2C)C(C)C)c1 ZINC001605132294 972796391 /nfs/dbraw/zinc/79/63/91/972796391.db2.gz BWPAQWFJDUGIJQ-MRXNPFEDSA-N -1 0 326.396 3.524 20 0 EHADRM Cc1cc(F)ccc1C1CCN(C(=O)[C@@H](C(=O)[O-])C(C)(C)C)CC1 ZINC001605179066 972889386 /nfs/dbraw/zinc/88/93/86/972889386.db2.gz CQKSESZKKONNMN-INIZCTEOSA-N -1 0 335.419 3.587 20 0 EHADRM O=C([O-])C1(NC(=O)C(F)(F)c2cccc(Cl)c2)CCCCCC1 ZINC001605957907 972923676 /nfs/dbraw/zinc/92/36/76/972923676.db2.gz BAHPYZWGMPMWBF-UHFFFAOYSA-N -1 0 345.773 3.726 20 0 EHADRM C[C@@H](C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000396641817 972929167 /nfs/dbraw/zinc/92/91/67/972929167.db2.gz QJPHNNSKEVSBDV-NEPJUHHUSA-N -1 0 342.351 3.525 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001603389104 973000205 /nfs/dbraw/zinc/00/02/05/973000205.db2.gz XGDHCYAJGHRFOM-WCBMZHEXSA-N -1 0 349.736 3.684 20 0 EHADRM C[C@H]1CCC[C@H](OCc2cccc(NC(=O)N(C)CCC(=O)[O-])c2)C1 ZINC001603399930 973050707 /nfs/dbraw/zinc/05/07/07/973050707.db2.gz QTRANZOVFCTNLB-YOEHRIQHSA-N -1 0 348.443 3.720 20 0 EHADRM Cc1ccc(CN(CC(C)C)C(=O)C2(C(=O)[O-])CC=CC2)c(C)c1 ZINC001605273071 973054241 /nfs/dbraw/zinc/05/42/41/973054241.db2.gz DRQJOFKEMCVVGW-UHFFFAOYSA-N -1 0 329.440 3.709 20 0 EHADRM Cc1ccc(COc2cccc(NC(=O)[C@H]3CC[C@H]3C(=O)[O-])c2)cc1 ZINC001605277593 973069014 /nfs/dbraw/zinc/06/90/14/973069014.db2.gz KABRBPOLYXIDOX-ZWKOTPCHSA-N -1 0 339.391 3.623 20 0 EHADRM Cc1ccc(F)c2[nH]c(C(=O)NC3(CC(=O)[O-])CCCCC3)cc21 ZINC001605282104 973076488 /nfs/dbraw/zinc/07/64/88/973076488.db2.gz JIHXTNTZFCCEHN-UHFFFAOYSA-N -1 0 332.375 3.523 20 0 EHADRM Cc1ccc(Oc2ccccc2CC(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC001605302721 973116829 /nfs/dbraw/zinc/11/68/29/973116829.db2.gz CSDIYXIYISNXKJ-IBGZPJMESA-N -1 0 341.407 3.555 20 0 EHADRM Cc1ccc2c(ccc(C)c2C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC001605310129 973135102 /nfs/dbraw/zinc/13/51/02/973135102.db2.gz MOUQABCMHCTMBK-HOCLYGCPSA-N -1 0 325.408 3.639 20 0 EHADRM Cc1ccc2oc(CNC(=O)Nc3cccc(CC(=O)[O-])c3)cc2c1 ZINC001605315160 973146115 /nfs/dbraw/zinc/14/61/15/973146115.db2.gz XAQAZJTVWGVDFM-UHFFFAOYSA-N -1 0 338.363 3.690 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)Nc2cscc2Cl)Cc2ccccc21 ZINC001606041827 973147942 /nfs/dbraw/zinc/14/79/42/973147942.db2.gz YXFPZPIUXVAOSL-LLVKDONJSA-N -1 0 336.800 3.617 20 0 EHADRM Cc1cccc(OC(=O)[C@@H](C(=O)[O-])C2CCCC2)c1Br ZINC001605345068 973236558 /nfs/dbraw/zinc/23/65/58/973236558.db2.gz RPNVUVHYFBXGTA-GFCCVEGCSA-N -1 0 341.201 3.554 20 0 EHADRM O=C([O-])CC1(NC(=O)c2ccc(C(F)F)c(F)c2)CCCCC1 ZINC001606081483 973240036 /nfs/dbraw/zinc/24/00/36/973240036.db2.gz UYBGXXAISWUZIC-UHFFFAOYSA-N -1 0 329.318 3.671 20 0 EHADRM O=C([O-])CC1(Nc2cc(SCc3ccccc3)ncn2)CCC1 ZINC001606084885 973244772 /nfs/dbraw/zinc/24/47/72/973244772.db2.gz OKMCXYSDICYDNV-UHFFFAOYSA-N -1 0 329.425 3.578 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)CCSc1ccc(Cl)cc1)C(=O)[O-] ZINC000400498846 973291074 /nfs/dbraw/zinc/29/10/74/973291074.db2.gz MOJLUMIAEYEQKI-SMDDNHRTSA-N -1 0 343.876 3.828 20 0 EHADRM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cc(C)c(C)s2)n[nH]1 ZINC000538009143 1032081791 /nfs/dbraw/zinc/08/17/91/1032081791.db2.gz WQILBRVLJRBCLY-VIFPVBQESA-N -1 0 327.475 3.792 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](CC(C)(C)C)C(=O)[O-] ZINC000401412706 973363459 /nfs/dbraw/zinc/36/34/59/973363459.db2.gz BIPLXDDCXCIDEZ-ZWNOBZJWSA-N -1 0 343.876 3.826 20 0 EHADRM Cc1nc(-c2ccccc2)sc1NC(=O)N([C@H](C)C(=O)[O-])C1CC1 ZINC001605393249 973364673 /nfs/dbraw/zinc/36/46/73/973364673.db2.gz CYACFBMTIVXZGJ-LLVKDONJSA-N -1 0 345.424 3.588 20 0 EHADRM Cc1nc2sc3c(c2c(N2CC[C@@](C)(C(=O)[O-])C2)n1)CCCCC3 ZINC001605408803 973408117 /nfs/dbraw/zinc/40/81/17/973408117.db2.gz JEJOSAAGXJIGIZ-GOSISDBHSA-N -1 0 345.468 3.570 20 0 EHADRM CC[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccc(OC)cc1 ZINC001603488341 973418348 /nfs/dbraw/zinc/41/83/48/973418348.db2.gz KYPSEYBQEXTEMY-CQSZACIVSA-N -1 0 331.343 3.665 20 0 EHADRM CCC(C)(C)OCc1ccccc1NC(=O)N(C)C[C@H](C)C(=O)[O-] ZINC001603508778 973496178 /nfs/dbraw/zinc/49/61/78/973496178.db2.gz WXWPWIJFLZZNID-ZDUSSCGKSA-N -1 0 336.432 3.576 20 0 EHADRM CC[C@H](CNC(=O)Nc1ccc(C(=O)[O-])c(C)c1)CC(F)(F)F ZINC000402547777 973622902 /nfs/dbraw/zinc/62/29/02/973622902.db2.gz CSRVTROXDYYGGT-JTQLQIEISA-N -1 0 332.322 3.793 20 0 EHADRM CC(C)(C)C1CCN(C(=O)NCCCCCCCC(=O)[O-])CC1 ZINC000403270211 973669441 /nfs/dbraw/zinc/66/94/41/973669441.db2.gz MZGZXWTWPULLFH-UHFFFAOYSA-N -1 0 326.481 3.879 20 0 EHADRM Cn1ccc2c1cccc2NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001605506024 973683125 /nfs/dbraw/zinc/68/31/25/973683125.db2.gz WDWCVRBYPCAKOE-CQSZACIVSA-N -1 0 331.416 3.579 20 0 EHADRM Cn1ccc2ccc(NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc21 ZINC001605511640 973689673 /nfs/dbraw/zinc/68/96/73/973689673.db2.gz PVCYXBHJCAUQDH-CQSZACIVSA-N -1 0 331.416 3.579 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Cc2coc3c2ccc(F)c3F)c1 ZINC001606311631 973724929 /nfs/dbraw/zinc/72/49/29/973724929.db2.gz YEXVRLMIQYIBHV-UHFFFAOYSA-N -1 0 345.301 3.519 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC001606318515 973736076 /nfs/dbraw/zinc/73/60/76/973736076.db2.gz VYGCPTVBQJHJEA-CQSZACIVSA-N -1 0 344.333 3.556 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC000405299248 973820144 /nfs/dbraw/zinc/82/01/44/973820144.db2.gz HRCSGMWLZCNYTK-NSHDSACASA-N -1 0 344.333 3.636 20 0 EHADRM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(-c2cccc3cccnc32)cc1 ZINC001606382472 973833690 /nfs/dbraw/zinc/83/36/90/973833690.db2.gz QLAGRMFNXWZFFQ-SFHVURJKSA-N -1 0 346.386 3.591 20 0 EHADRM CCC1(CC)CCCN(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1 ZINC001603612055 973893447 /nfs/dbraw/zinc/89/34/47/973893447.db2.gz WXHIUNWVXWZADX-QLFBSQMISA-N -1 0 338.492 3.734 20 0 EHADRM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCCCCC(=O)[O-] ZINC000414623588 973942472 /nfs/dbraw/zinc/94/24/72/973942472.db2.gz HPIFVYOGBZYONQ-ZWKOTPCHSA-N -1 0 346.471 3.999 20 0 EHADRM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCCCCC(=O)[O-] ZINC000414623586 973942926 /nfs/dbraw/zinc/94/29/26/973942926.db2.gz HPIFVYOGBZYONQ-ROUUACIJSA-N -1 0 346.471 3.999 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)NCCCCCC(=O)[O-])cc1C ZINC000414631770 973943619 /nfs/dbraw/zinc/94/36/19/973943619.db2.gz WZFFMOJUSYCXOB-QGZVFWFLSA-N -1 0 332.444 3.795 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)c2ccccc12 ZINC001604763906 973981965 /nfs/dbraw/zinc/98/19/65/973981965.db2.gz MKCLXZHRVKFWMW-UHFFFAOYSA-N -1 0 337.331 3.505 20 0 EHADRM CCCCn1c(S[C@@H](CC)C(=O)[O-])nnc1-c1ccc(OC)cc1 ZINC001603653381 974020470 /nfs/dbraw/zinc/02/04/70/974020470.db2.gz ROTWSXKCOHGLLV-AWEZNQCLSA-N -1 0 349.456 3.709 20 0 EHADRM Cc1cc(NC(=O)NCCC(C)(C)C(=O)[O-])ccc1-c1ccncc1 ZINC000424383371 974023650 /nfs/dbraw/zinc/02/36/50/974023650.db2.gz CKKQJJNUONLDHU-UHFFFAOYSA-N -1 0 341.411 3.679 20 0 EHADRM CC[C@H](NC(=O)NCCC(C)(C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000424388735 974024343 /nfs/dbraw/zinc/02/43/43/974024343.db2.gz BTGAFERCCLZRTD-ZDUSSCGKSA-N -1 0 326.824 3.591 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2CCCC[C@H]2C)cc1 ZINC000425245587 974040781 /nfs/dbraw/zinc/04/07/81/974040781.db2.gz USDSHYMMFJSRSE-WQVCFCJDSA-N -1 0 335.469 3.867 20 0 EHADRM CCCN(CC(=O)[O-])c1nc(Cl)c(C(F)(F)F)cc1Cl ZINC001603667682 974041177 /nfs/dbraw/zinc/04/11/77/974041177.db2.gz DKQIUCNOEMIEKG-UHFFFAOYSA-N -1 0 331.121 3.708 20 0 EHADRM CCCN(CC)c1ccc(C(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC001603671557 974045837 /nfs/dbraw/zinc/04/58/37/974045837.db2.gz NXVQYPVJIABJHB-UHFFFAOYSA-N -1 0 340.423 3.551 20 0 EHADRM O=C([O-])[C@H](NCc1cccc(OC2CCCC2)c1)c1cccs1 ZINC000426779965 974047120 /nfs/dbraw/zinc/04/71/20/974047120.db2.gz MYBAVINRHXAVOC-QGZVFWFLSA-N -1 0 331.437 3.985 20 0 EHADRM O=C([O-])[C@H](NCc1cc(C(F)(F)F)ccc1F)c1ccccc1F ZINC000426768145 974047887 /nfs/dbraw/zinc/04/78/87/974047887.db2.gz VOIRYXUIDYCTAG-CQSZACIVSA-N -1 0 345.267 3.899 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000427682766 974054044 /nfs/dbraw/zinc/05/40/44/974054044.db2.gz NPWOERHXWXUVMT-AYOQOUSVSA-N -1 0 343.467 3.920 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000431210429 974061368 /nfs/dbraw/zinc/06/13/68/974061368.db2.gz HDKQLJGRCSGPPN-QCPWZWHMSA-N -1 0 349.858 3.763 20 0 EHADRM CC[C@@H](C)[C@@H](C)C(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000431460275 974065471 /nfs/dbraw/zinc/06/54/71/974065471.db2.gz VFLONKLEFSVTBY-VXGBXAGGSA-N -1 0 345.361 3.801 20 0 EHADRM Cc1cc(Cl)c(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)cc1C ZINC000431505961 974066909 /nfs/dbraw/zinc/06/69/09/974066909.db2.gz KVSHPNCXHSRTEP-HNNXBMFYSA-N -1 0 331.799 3.555 20 0 EHADRM CCCc1c(C(=O)OCc2ccc(C(=O)[O-])cc2)[nH]c(C)c1C(C)=O ZINC001603691998 974083020 /nfs/dbraw/zinc/08/30/20/974083020.db2.gz CHRIYVAVUZDFSL-UHFFFAOYSA-N -1 0 343.379 3.533 20 0 EHADRM CCCSCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001603692071 974084046 /nfs/dbraw/zinc/08/40/46/974084046.db2.gz HDEDWIBSCVBULP-VIFPVBQESA-N -1 0 327.471 3.653 20 0 EHADRM CC(C)Sc1ccc(C(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])cc1 ZINC000432114858 974089056 /nfs/dbraw/zinc/08/90/56/974089056.db2.gz LMEARQPLRGKQRH-CRAIPNDOSA-N -1 0 335.469 3.950 20 0 EHADRM Cc1cc2[nH]c(C(=O)N[C@]3(C)CCCC[C@H]3C(=O)[O-])cc2c(C)c1 ZINC000432127545 974090208 /nfs/dbraw/zinc/09/02/08/974090208.db2.gz GUMHXNXCQWAYGT-IFXJQAMLSA-N -1 0 328.412 3.548 20 0 EHADRM Cc1cc(C)cc([C@H]2CCN(C(=O)c3ccc(C(=O)[O-])cc3F)C2)c1 ZINC000432138153 974092883 /nfs/dbraw/zinc/09/28/83/974092883.db2.gz WKXMXRPOIGCQIZ-HNNXBMFYSA-N -1 0 341.382 3.770 20 0 EHADRM COc1ccc2sc(C(=O)N3[C@H](C)CCC[C@@H]3C(=O)[O-])c(C)c2c1 ZINC001604854628 974094611 /nfs/dbraw/zinc/09/46/11/974094611.db2.gz IBMGJBBSXCQRQH-QMTHXVAHSA-N -1 0 347.436 3.686 20 0 EHADRM O=C([O-])c1ccc(COC(=O)CCc2nc3ccccc3s2)cc1 ZINC001605689576 974108275 /nfs/dbraw/zinc/10/82/75/974108275.db2.gz URXSYTLSGCALRB-UHFFFAOYSA-N -1 0 341.388 3.671 20 0 EHADRM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC000439797264 974110055 /nfs/dbraw/zinc/11/00/55/974110055.db2.gz ZXPUQCPUNBVFAL-APPDUMDISA-N -1 0 345.345 3.886 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cccc2c1CCC2)c1ccc(Cl)cc1 ZINC000439937326 974114358 /nfs/dbraw/zinc/11/43/58/974114358.db2.gz XWJMNWGCXNCUDN-KRWDZBQOSA-N -1 0 343.810 3.775 20 0 EHADRM O=C([O-])CC1(NC(=O)CCc2ccc(-c3ccccc3)o2)CCCC1 ZINC000448988108 974128247 /nfs/dbraw/zinc/12/82/47/974128247.db2.gz AKWWALFIUNWYCL-UHFFFAOYSA-N -1 0 341.407 3.783 20 0 EHADRM CCc1c(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cnn1C(CC)CC ZINC000455786761 974151609 /nfs/dbraw/zinc/15/16/09/974151609.db2.gz JTCQXMWRPWYPMX-CQSZACIVSA-N -1 0 349.475 3.524 20 0 EHADRM CCn1c(C(=O)Nc2cccc(CCC(=O)[O-])c2)cc2ccccc21 ZINC000467937351 974193118 /nfs/dbraw/zinc/19/31/18/974193118.db2.gz GWQQDJZVKUGUHS-UHFFFAOYSA-N -1 0 336.391 3.931 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)/C=C/c2nc3ccccc3s2)cc1 ZINC000492467724 974258677 /nfs/dbraw/zinc/25/86/77/974258677.db2.gz CSRJLRWXEKUVGK-MDZDMXLPSA-N -1 0 338.388 3.575 20 0 EHADRM C[C@H]1CN(Cc2csc(C(=O)[O-])c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000517948069 974320483 /nfs/dbraw/zinc/32/04/83/974320483.db2.gz COPIBAFGSVUACD-NHYWBVRUSA-N -1 0 335.400 3.547 20 0 EHADRM CC1=NN(c2ccc(C(=O)Nc3cc(C(=O)[O-])ccc3C)cc2)CC1 ZINC000532001659 974370397 /nfs/dbraw/zinc/37/03/97/974370397.db2.gz IUMFILHPSSVMMM-UHFFFAOYSA-N -1 0 337.379 3.532 20 0 EHADRM Cc1c(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)cnn1-c1ccc(C)cc1 ZINC000532256071 974373053 /nfs/dbraw/zinc/37/30/53/974373053.db2.gz KGANCYLCZRIHPX-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM CCn1c(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)cc2ccccc21 ZINC000539676805 974398912 /nfs/dbraw/zinc/39/89/12/974398912.db2.gz JKRSEYYDDRLILW-UHFFFAOYSA-N -1 0 348.402 3.558 20 0 EHADRM CC[C@@H](NC(=O)Nc1nc(C2CCCCCC2)cs1)C(=O)[O-] ZINC001603906529 974407513 /nfs/dbraw/zinc/40/75/13/974407513.db2.gz IRDPEAGBZRHLTI-LLVKDONJSA-N -1 0 325.434 3.566 20 0 EHADRM CCSc1ccccc1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000543710999 974420131 /nfs/dbraw/zinc/42/01/31/974420131.db2.gz UIUPXNZJAFEOJI-UHFFFAOYSA-N -1 0 331.393 3.514 20 0 EHADRM CC[C@H](NC(=O)Nc1cc(C)ccc1OCc1ccccc1)C(=O)[O-] ZINC001603943721 974428520 /nfs/dbraw/zinc/42/85/20/974428520.db2.gz SECOABQUJOWSFX-HNNXBMFYSA-N -1 0 342.395 3.559 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)NCc1ccc2ccccc2c1 ZINC000553933788 974480686 /nfs/dbraw/zinc/48/06/86/974480686.db2.gz XHHZXCMTAQMWFR-UHFFFAOYSA-N -1 0 333.387 3.787 20 0 EHADRM C[C@@H](c1nc(-c2ccccc2)no1)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000563976724 974542711 /nfs/dbraw/zinc/54/27/11/974542711.db2.gz NPJADGJPUJXWOL-ZDUSSCGKSA-N -1 0 349.390 3.554 20 0 EHADRM C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1Cc1occc1C(=O)[O-] ZINC000564660091 974551645 /nfs/dbraw/zinc/55/16/45/974551645.db2.gz AGFUWGDRBRITBH-XHDPSFHLSA-N -1 0 335.787 3.593 20 0 EHADRM Cc1cccc(C(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)c1Cl ZINC000565031260 974561827 /nfs/dbraw/zinc/56/18/27/974561827.db2.gz BKPVXQRBVRWQSH-UHFFFAOYSA-N -1 0 344.798 3.549 20 0 EHADRM O=C([O-])C[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Br)c1 ZINC000565103105 974569312 /nfs/dbraw/zinc/56/93/12/974569312.db2.gz JAODXNYLJASLKP-GFCCVEGCSA-N -1 0 332.625 3.542 20 0 EHADRM CCCC[C@H](Sc1nc(-c2cccnc2)nc(C)c1C)C(=O)[O-] ZINC000565490914 974583739 /nfs/dbraw/zinc/58/37/39/974583739.db2.gz MBCMJDOPWXGUQL-AWEZNQCLSA-N -1 0 331.441 3.891 20 0 EHADRM O=C([O-])[C@H](c1ccccc1)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000566362566 974610360 /nfs/dbraw/zinc/61/03/60/974610360.db2.gz UVTVUQWILICWBK-SJORKVTESA-N -1 0 349.789 3.678 20 0 EHADRM O=C([O-])[C@@H](c1ccccc1)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000566362560 974610495 /nfs/dbraw/zinc/61/04/95/974610495.db2.gz UVTVUQWILICWBK-DLBZAZTESA-N -1 0 349.789 3.678 20 0 EHADRM COc1ccccc1-c1cccc(NC(=O)C[C@@H](C)CC(=O)[O-])c1 ZINC000566483086 974612780 /nfs/dbraw/zinc/61/27/80/974612780.db2.gz KFQQQQLMPUIXFL-CYBMUJFWSA-N -1 0 327.380 3.802 20 0 EHADRM COc1ccc([C@H]2CCCCCN2C(=O)C[C@@H](C)CC(=O)[O-])cc1 ZINC000566807327 974621730 /nfs/dbraw/zinc/62/17/30/974621730.db2.gz MNZYFASQVNJBSO-RHSMWYFYSA-N -1 0 333.428 3.640 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000568245471 974662641 /nfs/dbraw/zinc/66/26/41/974662641.db2.gz OPNROFSMPLCSMN-JTQLQIEISA-N -1 0 346.254 3.888 20 0 EHADRM Cc1ccc(C[C@H](Sc2nccc(C(F)(F)F)n2)C(=O)[O-])cc1 ZINC000568647647 974675706 /nfs/dbraw/zinc/67/57/06/974675706.db2.gz UXUKZCJBSSAZSN-NSHDSACASA-N -1 0 342.342 3.592 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(OCc2ccccc2F)cc1 ZINC000570343054 974708847 /nfs/dbraw/zinc/70/88/47/974708847.db2.gz DTTZLCDYQFHUPS-ZDUSSCGKSA-N -1 0 345.370 3.844 20 0 EHADRM CC(C)[C@@H](C(=O)NC[C@@H](CC1CC1)C(=O)[O-])c1cccc(Cl)c1 ZINC000571051926 974722556 /nfs/dbraw/zinc/72/25/56/974722556.db2.gz DPEVDEVOCFKBHO-GDBMZVCRSA-N -1 0 337.847 3.697 20 0 EHADRM CN(Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)C[C@H]1CCCCO1 ZINC000571451956 974729854 /nfs/dbraw/zinc/72/98/54/974729854.db2.gz DGHWSKFSYBBJRP-MRXNPFEDSA-N -1 0 346.452 3.509 20 0 EHADRM CC(C)(COCc1ccccc1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000571869121 974737201 /nfs/dbraw/zinc/73/72/01/974737201.db2.gz UPMPGCFRDPUTAQ-UHFFFAOYSA-N -1 0 333.409 3.628 20 0 EHADRM O=C([O-])C1CCC(Nc2cnn(Cc3ccc(Cl)cc3)c2)CC1 ZINC000572850259 974754909 /nfs/dbraw/zinc/75/49/09/974754909.db2.gz JZZPCWKWPHSRNZ-UHFFFAOYSA-N -1 0 333.819 3.640 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@H](C)c2ccccc2Cl)cc1C ZINC000107962946 1014214694 /nfs/dbraw/zinc/21/46/94/1014214694.db2.gz OBBKDRPIVGJKSW-QKFKETGDSA-N -1 0 349.883 3.942 20 0 EHADRM Cc1ccsc1[C@H]1C[C@H]1C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000574348095 974781737 /nfs/dbraw/zinc/78/17/37/974781737.db2.gz QUCYXOOWLKPTII-UONOGXRCSA-N -1 0 335.469 3.701 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)c1ccccc1C(C)C ZINC000574788177 974788397 /nfs/dbraw/zinc/78/83/97/974788397.db2.gz SJUFZIKFUQMCCR-UHFFFAOYSA-N -1 0 347.436 3.642 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1cc2c(ccc3ccccc23)[nH]1)CC1CC1 ZINC000576285112 974811537 /nfs/dbraw/zinc/81/15/37/974811537.db2.gz WHBFTPZEVSOPJB-AWEZNQCLSA-N -1 0 336.391 3.552 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1Cc1nc(-c2ccccc2)no1 ZINC000576412445 974814602 /nfs/dbraw/zinc/81/46/02/974814602.db2.gz SLMDNXLLMDHQAC-IRXDYDNUSA-N -1 0 349.390 3.527 20 0 EHADRM O=C([O-])[C@H](CNC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)CC1CC1 ZINC000579722070 974881107 /nfs/dbraw/zinc/88/11/07/974881107.db2.gz DXKQNLDHUNHGHD-FHWLQOOXSA-N -1 0 337.419 3.560 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@H](Cc1ccccc1)c1ccccc1F ZINC000580095567 974888842 /nfs/dbraw/zinc/88/88/42/974888842.db2.gz YUWXYOXZUDIHJU-KBXCAEBGSA-N -1 0 343.398 3.727 20 0 EHADRM Cc1ccsc1CN[C@@H](C(=O)[O-])c1ccccc1Br ZINC000580146883 974889879 /nfs/dbraw/zinc/88/98/79/974889879.db2.gz SJCZJLMPJWGTSG-CYBMUJFWSA-N -1 0 340.242 3.735 20 0 EHADRM Cc1nnc([C@H](C)N2CCC(Cc3ccccc3C(=O)[O-])CC2)s1 ZINC000580963787 974902893 /nfs/dbraw/zinc/90/28/93/974902893.db2.gz AJARWMXPHFSWGE-LBPRGKRZSA-N -1 0 345.468 3.560 20 0 EHADRM Cc1ccc(C)c(S([O-])=CC(=O)N[C@H](c2ccccc2)C(C)C)c1 ZINC000107964774 1014225577 /nfs/dbraw/zinc/22/55/77/1014225577.db2.gz VZARBQRBIJDMLK-GBXCKJPGSA-N -1 0 343.492 3.925 20 0 EHADRM Cc1cc([C@@H](NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C2CC2)ccc1F ZINC000583946237 974948273 /nfs/dbraw/zinc/94/82/73/974948273.db2.gz UQPTZJYDKYVOIW-ZQIUZPCESA-N -1 0 333.403 3.592 20 0 EHADRM C[C@@H](CC(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1)n1cccc1 ZINC000584458380 974955285 /nfs/dbraw/zinc/95/52/85/974955285.db2.gz MYJFGURQGCMITQ-DOTOQJQBSA-N -1 0 334.460 3.759 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000621558397 975031357 /nfs/dbraw/zinc/03/13/57/975031357.db2.gz FAWAAHMXKRFIHJ-GFCCVEGCSA-N -1 0 343.810 3.759 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000621558563 975031395 /nfs/dbraw/zinc/03/13/95/975031395.db2.gz JIZVGWYAZGDSGZ-HNNXBMFYSA-N -1 0 337.419 3.804 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)CCc1ccccc1F ZINC000621586527 975043657 /nfs/dbraw/zinc/04/36/57/975043657.db2.gz DGFNDHYGLYLMPE-ROUUACIJSA-N -1 0 341.382 3.575 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N[C@@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC000621610645 975059301 /nfs/dbraw/zinc/05/93/01/975059301.db2.gz NAUQQYOVVOJIMR-NEPJUHHUSA-N -1 0 346.452 3.775 20 0 EHADRM C[C@@H](NC(=O)C1CC(C)(C)CC(C)(C)C1)c1ncc(C(=O)[O-])s1 ZINC000621612627 975061608 /nfs/dbraw/zinc/06/16/08/975061608.db2.gz GDIRQWWKWHYNFV-SNVBAGLBSA-N -1 0 338.473 3.871 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC000630097171 975098911 /nfs/dbraw/zinc/09/89/11/975098911.db2.gz GYZDRJVYKMBADQ-JFMONLCZSA-N -1 0 345.414 3.564 20 0 EHADRM Cc1cc(C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)oc1C(=O)[O-] ZINC000630108326 975104644 /nfs/dbraw/zinc/10/46/44/975104644.db2.gz YEWFMLCXADTCFZ-LBPRGKRZSA-N -1 0 331.368 3.564 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@@H]2c2cccc(C)c2C)oc1C(=O)[O-] ZINC000630121615 975110159 /nfs/dbraw/zinc/11/01/59/975110159.db2.gz KVVILBBIRRFSRE-OAHLLOKOSA-N -1 0 327.380 3.880 20 0 EHADRM Cc1c(NC(=O)[C@H]2[C@@H]3c4ccc(Cl)cc4C[C@H]23)cccc1C(=O)[O-] ZINC000630122772 975110747 /nfs/dbraw/zinc/11/07/47/975110747.db2.gz LZOLGIJEYSXLLK-USXIJHARSA-N -1 0 341.794 3.871 20 0 EHADRM C[C@@]1(NC(=O)Cc2coc3cc(Cl)ccc23)CCCC[C@@H]1C(=O)[O-] ZINC000630163401 975138259 /nfs/dbraw/zinc/13/82/59/975138259.db2.gz JNDIXVAMRYZILQ-RDTXWAMCSA-N -1 0 349.814 3.778 20 0 EHADRM CCC[C@@H](C(=O)NCCC(C)(C)C(=O)[O-])c1cccc(Cl)c1 ZINC000630184827 975146243 /nfs/dbraw/zinc/14/62/43/975146243.db2.gz HVGUTXHUOJRDRR-CQSZACIVSA-N -1 0 325.836 3.841 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)CC1CCC(F)(F)CC1 ZINC000630185253 975146943 /nfs/dbraw/zinc/14/69/43/975146943.db2.gz YUHNUKJPHIXSML-UHFFFAOYSA-N -1 0 327.327 3.548 20 0 EHADRM CCC[C@@H](C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1)c1ccccn1 ZINC000630194714 975152518 /nfs/dbraw/zinc/15/25/18/975152518.db2.gz TURUIBQYSZHDNM-CZUORRHYSA-N -1 0 326.396 3.792 20 0 EHADRM Cc1cc(C(=O)N[C@@H](c2ccc(F)c(C)c2)C2CC2)oc1C(=O)[O-] ZINC000630204638 975158237 /nfs/dbraw/zinc/15/82/37/975158237.db2.gz PJMOIBIUYAASBA-OAHLLOKOSA-N -1 0 331.343 3.615 20 0 EHADRM O=C([O-])c1ccc2c(c1)[C@@H](CNC(=O)[C@@H]1CCCC13CC3)CCC2 ZINC000630206840 975159062 /nfs/dbraw/zinc/15/90/62/975159062.db2.gz MVRTVKNZSWLXQV-WBVHZDCISA-N -1 0 327.424 3.501 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CC2CCC(F)(F)CC2)[C@H]2CCCC[C@H]12 ZINC000630208244 975159695 /nfs/dbraw/zinc/15/96/95/975159695.db2.gz RUXYNFWZLOMOEF-KFWWJZLASA-N -1 0 343.414 3.694 20 0 EHADRM Cc1cc(C(=O)N[C@@H](C2CCCCC2)C(F)(F)F)oc1C(=O)[O-] ZINC000630215427 975162767 /nfs/dbraw/zinc/16/27/67/975162767.db2.gz VCEJQNMBIDEWOU-LBPRGKRZSA-N -1 0 333.306 3.527 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1ccc(C(F)F)o1 ZINC000630218286 975164230 /nfs/dbraw/zinc/16/42/30/975164230.db2.gz XVJWSZIAJWNRRB-VXGBXAGGSA-N -1 0 341.354 3.713 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C3CCC3)CC2)[C@H]2CCC[C@@H]21 ZINC000630284579 975229079 /nfs/dbraw/zinc/22/90/79/975229079.db2.gz NUWYUFJVTCUNII-ZKXLYKBJSA-N -1 0 333.472 3.695 20 0 EHADRM CC(C)Sc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)cc1 ZINC000630285518 975230486 /nfs/dbraw/zinc/23/04/86/975230486.db2.gz OBNDOLVZEBBUEV-IXDOHACOSA-N -1 0 347.480 3.903 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NC[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000630291227 975233550 /nfs/dbraw/zinc/23/35/50/975233550.db2.gz YESDFVMBXXEDOJ-IHRRRGAJSA-N -1 0 335.469 3.808 20 0 EHADRM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1cccc(CC(=O)[O-])c1 ZINC000630293108 975234538 /nfs/dbraw/zinc/23/45/38/975234538.db2.gz LKHJUBICHFGIKG-KRWDZBQOSA-N -1 0 345.826 3.718 20 0 EHADRM Cc1cc(CNC(=O)C[C@H](C)CC(=O)[O-])ccc1-c1ccccc1 ZINC000630296809 975236439 /nfs/dbraw/zinc/23/64/39/975236439.db2.gz HYAWFPFKWMQDEC-AWEZNQCLSA-N -1 0 325.408 3.779 20 0 EHADRM CC[C@H](CSc1ccccc1)NC(=O)c1cccc(CC(=O)[O-])c1 ZINC000630297377 975236893 /nfs/dbraw/zinc/23/68/93/975236893.db2.gz NCPTYDPCKTUCJL-MRXNPFEDSA-N -1 0 343.448 3.614 20 0 EHADRM C[C@H]1CCCc2ccccc2[C@H]1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000630299076 975238375 /nfs/dbraw/zinc/23/83/75/975238375.db2.gz IKULLFMQKVUDAO-MBGYTDRXSA-N -1 0 329.440 3.707 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)NCC(C)(C)c1ccc2ccccc2c1 ZINC000630303747 975240694 /nfs/dbraw/zinc/24/06/94/975240694.db2.gz ZMTYOYKGLBRBTA-AWEZNQCLSA-N -1 0 327.424 3.735 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000630302975 975240957 /nfs/dbraw/zinc/24/09/57/975240957.db2.gz NGGNVLVJZWTGPJ-SHTZXODSSA-N -1 0 341.382 3.519 20 0 EHADRM Cc1cc(CNC(=O)c2ccc(OC3CCCC3)cc2)oc1C(=O)[O-] ZINC000630330172 975258325 /nfs/dbraw/zinc/25/83/25/975258325.db2.gz WFASPQQCPKFEIF-UHFFFAOYSA-N -1 0 343.379 3.538 20 0 EHADRM Cc1cc(CNC(=O)C[C@@H](C)Cc2ccc(Cl)cc2)oc1C(=O)[O-] ZINC000630331450 975259572 /nfs/dbraw/zinc/25/95/72/975259572.db2.gz MBFRCOJSWWSTFK-NSHDSACASA-N -1 0 349.814 3.825 20 0 EHADRM O=C([O-])c1cnc(N[C@H]2CCCc3cn(C4CCCC4)nc32)s1 ZINC000630459830 975265553 /nfs/dbraw/zinc/26/55/53/975265553.db2.gz DYQPDDVPOZLLTE-LBPRGKRZSA-N -1 0 332.429 3.642 20 0 EHADRM Cc1ccc(CCC(=O)NCc2ccc(C(=O)[O-])s2)cc1Cl ZINC000643429358 975302531 /nfs/dbraw/zinc/30/25/31/975302531.db2.gz HYMUOWQFNAEQFA-UHFFFAOYSA-N -1 0 337.828 3.657 20 0 EHADRM O=C([O-])c1ccc(NCC2(c3cccc(Cl)c3)CCOCC2)nc1 ZINC000647446446 975360724 /nfs/dbraw/zinc/36/07/24/975360724.db2.gz VHVWHTOCHWHAIG-UHFFFAOYSA-N -1 0 346.814 3.594 20 0 EHADRM Cc1ccc2cc(Cl)cc(C(=O)N3CCC[C@](C)(C(=O)[O-])C3)c2n1 ZINC000649251738 975389815 /nfs/dbraw/zinc/38/98/15/975389815.db2.gz QTPKBSBWMCUMPZ-SFHVURJKSA-N -1 0 346.814 3.524 20 0 EHADRM CCC[C@@H](C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1)C(C)C ZINC000649358515 975407188 /nfs/dbraw/zinc/40/71/88/975407188.db2.gz XPEMELLNOCIPGJ-CQSZACIVSA-N -1 0 342.439 3.823 20 0 EHADRM CC(C)Nc1cc(F)ccc1NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001591668280 975424257 /nfs/dbraw/zinc/42/42/57/975424257.db2.gz WESFNYPEPANCCZ-YVMONPNESA-N -1 0 332.331 3.589 20 0 EHADRM CC(C)Nc1cccc(F)c1NC(=O)CCc1ccccc1C(=O)[O-] ZINC001591672231 975433598 /nfs/dbraw/zinc/43/35/98/975433598.db2.gz OVXFMPMYYJHGAG-UHFFFAOYSA-N -1 0 344.386 3.916 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)C2(c3ccccc3Cl)CCC2)CC1 ZINC000652065090 975465285 /nfs/dbraw/zinc/46/52/85/975465285.db2.gz LZISQMIJDLKTGS-UHFFFAOYSA-N -1 0 349.858 3.865 20 0 EHADRM CC(C)OC(=O)OCSc1ccc(Br)cc1C(=O)[O-] ZINC001591682439 975475137 /nfs/dbraw/zinc/47/51/37/975475137.db2.gz OFWRKNTWCYQJIO-UHFFFAOYSA-N -1 0 349.202 3.759 20 0 EHADRM CC(C)O[C@@H](C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC001591686775 975499083 /nfs/dbraw/zinc/49/90/83/975499083.db2.gz RXCRTOIZYXQILE-KBXCAEBGSA-N -1 0 341.407 3.980 20 0 EHADRM O=C([O-])[C@H](c1ccccc1F)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000652435204 975530543 /nfs/dbraw/zinc/53/05/43/975530543.db2.gz UHBODUNUEHZVGT-SJCJKPOMSA-N -1 0 349.789 3.758 20 0 EHADRM CC[C@H]1c2ccsc2CCN1C(=O)c1cccc(CC(=O)[O-])c1 ZINC000653637865 975601101 /nfs/dbraw/zinc/60/11/01/975601101.db2.gz FMWUOKZAAGEXCG-HNNXBMFYSA-N -1 0 329.421 3.525 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN(C(=O)c2cccc(CC(=O)[O-])c2)C1 ZINC000653640890 975607451 /nfs/dbraw/zinc/60/74/51/975607451.db2.gz SPWBSKYHTYCNAU-OAQYLSRUSA-N -1 0 337.419 3.508 20 0 EHADRM CC(C)(C)Oc1ccccc1NC(=O)c1cccc(CC(=O)[O-])c1 ZINC000653640928 975607486 /nfs/dbraw/zinc/60/74/86/975607486.db2.gz YEGNQSYRUWHWSH-UHFFFAOYSA-N -1 0 327.380 3.743 20 0 EHADRM CCC[C@H](CCc1ccccc1)NC(=O)c1cccc(CC(=O)[O-])c1 ZINC000653641387 975607638 /nfs/dbraw/zinc/60/76/38/975607638.db2.gz BIGIPEJTXRKHOD-LJQANCHMSA-N -1 0 339.435 3.845 20 0 EHADRM CC[C@H](CN(CC)C(=O)c1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC000653645022 975614006 /nfs/dbraw/zinc/61/40/06/975614006.db2.gz IMVAAFJZQMDEDX-QGZVFWFLSA-N -1 0 339.435 3.970 20 0 EHADRM CC[C@H](C)Oc1ccc(NC(=O)c2cccc(CC(=O)[O-])c2)cc1 ZINC000653644363 975614369 /nfs/dbraw/zinc/61/43/69/975614369.db2.gz IVPXMTRLOCCCOL-ZDUSSCGKSA-N -1 0 327.380 3.743 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000656233006 975649048 /nfs/dbraw/zinc/64/90/48/975649048.db2.gz KSVGGIZFEVOMPT-DJJJIMSYSA-N -1 0 329.371 3.532 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1cccc2c1ccn2C(F)F ZINC000656605077 975665486 /nfs/dbraw/zinc/66/54/86/975665486.db2.gz ONLFINMZSPEMFA-UHFFFAOYSA-N -1 0 339.342 3.803 20 0 EHADRM CC(C)OCc1ccc(C(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC001591730996 975703566 /nfs/dbraw/zinc/70/35/66/975703566.db2.gz JPCLJXAFMYMDFD-GFCCVEGCSA-N -1 0 332.352 3.821 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)cc1C(=O)[O-] ZINC000659130875 975730377 /nfs/dbraw/zinc/73/03/77/975730377.db2.gz QDJWSYXUJXOZBK-ZWKOTPCHSA-N -1 0 341.407 3.665 20 0 EHADRM Cc1ccc([C@@H]2C[C@H]2C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1C ZINC000659143922 975743380 /nfs/dbraw/zinc/74/33/80/975743380.db2.gz QGPNAIMUZYFPLT-ZCNNSNEGSA-N -1 0 349.430 3.618 20 0 EHADRM CC[C@](NC(=O)[C@@H](C)Cc1ccco1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000659147877 975747961 /nfs/dbraw/zinc/74/79/61/975747961.db2.gz FAYALXUCFMVFDA-KPZWWZAWSA-N -1 0 349.814 3.618 20 0 EHADRM CC(C)Oc1c(NC(=O)N2C[C@H](C)[C@@H](C)[C@@H]2C)cccc1C(=O)[O-] ZINC001591742025 975759576 /nfs/dbraw/zinc/75/95/76/975759576.db2.gz SRRZSCFCQCMFBA-XQQFMLRXSA-N -1 0 334.416 3.680 20 0 EHADRM CC(C)Oc1c(NC(=O)N2CC[C@@H]3CCC[C@@H]32)cccc1C(=O)[O-] ZINC001591744900 975775668 /nfs/dbraw/zinc/77/56/68/975775668.db2.gz XCMVMFQLVGGRJL-WFASDCNBSA-N -1 0 332.400 3.578 20 0 EHADRM C[C@H](C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21)c1ccsc1 ZINC000659182463 975776705 /nfs/dbraw/zinc/77/67/05/975776705.db2.gz NXIQJSPDVWLZAH-WFASDCNBSA-N -1 0 343.448 3.786 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000659192185 975789897 /nfs/dbraw/zinc/78/98/97/975789897.db2.gz MJXAONFVQISOHI-DZKIICNBSA-N -1 0 335.831 3.754 20 0 EHADRM C[C@@](CCF)(NC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)[O-] ZINC000659208437 975819300 /nfs/dbraw/zinc/81/93/00/975819300.db2.gz HUXSHINFXBLOSG-AWEZNQCLSA-N -1 0 347.770 3.627 20 0 EHADRM Cc1cc(C(=O)N[C@](C)(CCF)C(=O)[O-])c(C)n1C1CCCCC1 ZINC000659212140 975822699 /nfs/dbraw/zinc/82/26/99/975822699.db2.gz JBQKWGFYICIWRL-GOSISDBHSA-N -1 0 338.423 3.543 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)NCc1ccc(C(=O)[O-])cc1F ZINC000659224883 975837348 /nfs/dbraw/zinc/83/73/48/975837348.db2.gz BYBWVNLSPWUPGK-GFCCVEGCSA-N -1 0 347.361 3.548 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CC[C@@H](C)[C@@H](C)C1 ZINC001591763315 975866763 /nfs/dbraw/zinc/86/67/63/975866763.db2.gz NFPYRAXDLWYUBC-OLZOCXBDSA-N -1 0 334.416 3.682 20 0 EHADRM CC(C)Oc1ccc(NCc2ccc(OCC(=O)[O-])cc2)c(F)c1 ZINC001591788350 975971517 /nfs/dbraw/zinc/97/15/17/975971517.db2.gz CNSMVTIHTPRITA-UHFFFAOYSA-N -1 0 333.359 3.688 20 0 EHADRM CSc1cc(C)c(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])o1 ZINC000668272296 975979656 /nfs/dbraw/zinc/97/96/56/975979656.db2.gz BSUCMIIAPARTJM-SMDDNHRTSA-N -1 0 333.409 3.502 20 0 EHADRM Cc1cccc2cc(C(=O)N3C[C@@H]4CCC[C@H]4[C@H]3C(=O)[O-])sc21 ZINC000668287348 975986809 /nfs/dbraw/zinc/98/68/09/975986809.db2.gz ALKNEDFQFGUCAP-GUTXKFCHSA-N -1 0 329.421 3.535 20 0 EHADRM O=C([O-])CC[C@H](CC1CCCCC1)NC(=O)CC1CC(F)(F)C1 ZINC000668292413 975987983 /nfs/dbraw/zinc/98/79/83/975987983.db2.gz GRMCSEOHUPQCEE-CQSZACIVSA-N -1 0 331.403 3.742 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCc2ccc(Cl)s2)c2ccccc21 ZINC000669435786 976002771 /nfs/dbraw/zinc/00/27/71/976002771.db2.gz RIMXWZIHYBYZIH-CYBMUJFWSA-N -1 0 349.839 3.939 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCc2cccc(Cl)c2)c2ccccc21 ZINC000669436209 976004246 /nfs/dbraw/zinc/00/42/46/976004246.db2.gz DBQSBIKWADGGKL-MRXNPFEDSA-N -1 0 343.810 3.878 20 0 EHADRM COc1cccc2cc(C(=O)N[C@@H]3CCCCCC[C@@H]3C(=O)[O-])oc21 ZINC000678989612 976036157 /nfs/dbraw/zinc/03/61/57/976036157.db2.gz FDNYRNZAXJGYOV-UONOGXRCSA-N -1 0 345.395 3.595 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000679107470 976048340 /nfs/dbraw/zinc/04/83/40/976048340.db2.gz XYXKYNPRFIRGGH-JKSUJKDBSA-N -1 0 331.456 3.838 20 0 EHADRM CC(C)Sc1ccc(C(=O)N[C@@H](CC(=O)[O-])C2CCCC2)cc1 ZINC001591828106 976082126 /nfs/dbraw/zinc/08/21/26/976082126.db2.gz ABYJJZGJBYVCSQ-INIZCTEOSA-N -1 0 335.469 3.950 20 0 EHADRM CC[C@@H](C(=O)N[C@H](CC(=O)[O-])c1cccs1)c1ccc(OC)cc1 ZINC000685018615 976093053 /nfs/dbraw/zinc/09/30/53/976093053.db2.gz JKWRILQYXZAXLY-HUUCEWRRSA-N -1 0 347.436 3.583 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc(C3CCC3)cc2)C1 ZINC000685019812 976093177 /nfs/dbraw/zinc/09/31/77/976093177.db2.gz YNPSCTSBMXWFNM-QGZVFWFLSA-N -1 0 329.440 3.917 20 0 EHADRM CC(C)[C@@H]1C[C@H]1CNC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001591853804 976145228 /nfs/dbraw/zinc/14/52/28/976145228.db2.gz OZGMJJBRZMCSRI-LRDDRELGSA-N -1 0 326.396 3.952 20 0 EHADRM CC(C)c1[nH]c(CN2CCOC[C@@H]2c2ccc(F)cc2)cc1C(=O)[O-] ZINC001591912827 976353708 /nfs/dbraw/zinc/35/37/08/976353708.db2.gz SKQHSRHLDGPGLL-QGZVFWFLSA-N -1 0 346.402 3.549 20 0 EHADRM CC(C)c1cc(C(=O)Nc2cccc3cc(C(=O)[O-])sc32)no1 ZINC001591930736 976424914 /nfs/dbraw/zinc/42/49/14/976424914.db2.gz CLAVDYMPRUSJMT-UHFFFAOYSA-N -1 0 330.365 3.963 20 0 EHADRM CC(C)c1cc(NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)ncn1 ZINC001591935936 976456287 /nfs/dbraw/zinc/45/62/87/976456287.db2.gz MHMPPNISMAWUJC-OAHLLOKOSA-N -1 0 325.412 3.830 20 0 EHADRM CC(C)c1ccc(C(=O)N2CCCc3ccc(C(=O)[O-])cc32)c(O)c1 ZINC001591942448 976470178 /nfs/dbraw/zinc/47/01/78/976470178.db2.gz PZWORRRPKKQZCW-UHFFFAOYSA-N -1 0 339.391 3.807 20 0 EHADRM CC(C)c1ccc(C(=O)COC(=O)c2ccc(C=CC(=O)[O-])o2)cc1 ZINC001591943734 976483500 /nfs/dbraw/zinc/48/35/00/976483500.db2.gz RCIKGFFZRVTORF-NTMALXAHSA-N -1 0 342.347 3.541 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)c(O)c1 ZINC001591946973 976486304 /nfs/dbraw/zinc/48/63/04/976486304.db2.gz ALWVCZARGQEJMO-UHFFFAOYSA-N -1 0 343.379 3.621 20 0 EHADRM CC(C)c1ccc(OCCC(=O)OCc2occc2C(=O)[O-])cc1 ZINC001591972002 976568841 /nfs/dbraw/zinc/56/88/41/976568841.db2.gz BBVPBEKUBZOLLJ-UHFFFAOYSA-N -1 0 332.352 3.614 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)CC2 ZINC001591974504 976589585 /nfs/dbraw/zinc/58/95/85/976589585.db2.gz WQYOWWJSQJCHKE-JEJOPICUSA-N -1 0 339.391 3.918 20 0 EHADRM CC(C)c1cccc(CNC(=O)Nc2cccc(OCC(=O)[O-])c2)c1 ZINC001591988203 976616744 /nfs/dbraw/zinc/61/67/44/976616744.db2.gz YVYOMLXLSVVUAO-UHFFFAOYSA-N -1 0 342.395 3.595 20 0 EHADRM CC(C)c1ccccc1OCC(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC001591998043 976645351 /nfs/dbraw/zinc/64/53/51/976645351.db2.gz LRTDSQVSIDRTMY-UHFFFAOYSA-N -1 0 346.354 3.561 20 0 EHADRM CC(C)c1sc(NC(=O)C2(c3ccc(F)cc3)CC2)nc1C(=O)[O-] ZINC001592107880 976889971 /nfs/dbraw/zinc/88/99/71/976889971.db2.gz HIBBCJZNZNXYSM-UHFFFAOYSA-N -1 0 348.399 3.774 20 0 EHADRM CC(C)n1ncc2cc(CSCc3ccc(C(=O)[O-])cn3)cnc21 ZINC001592163356 977052443 /nfs/dbraw/zinc/05/24/43/977052443.db2.gz ZKPMSLBKIMEORH-UHFFFAOYSA-N -1 0 342.424 3.539 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)CCCc1ccc2c(c1)CCCC2)C1CC1 ZINC001592283007 977591377 /nfs/dbraw/zinc/59/13/77/977591377.db2.gz UDYILVFQGFQYRE-OAQYLSRUSA-N -1 0 343.467 3.648 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)Nc1ccc(-c2nccs2)cc1)C1CC1 ZINC001592289923 977609605 /nfs/dbraw/zinc/60/96/05/977609605.db2.gz KLRKSYHEYMCEHF-KRWDZBQOSA-N -1 0 345.424 3.575 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)Nc1csnc1-c1ccccc1)C1CC1 ZINC001592297124 977633471 /nfs/dbraw/zinc/63/34/71/977633471.db2.gz FNPMFWHTDMQZMQ-QGZVFWFLSA-N -1 0 345.424 3.575 20 0 EHADRM CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)C[C@H](C)CC(=O)[O-] ZINC001592371183 977891401 /nfs/dbraw/zinc/89/14/01/977891401.db2.gz OUZJPZJSFBZBTH-LBPRGKRZSA-N -1 0 345.361 3.943 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)O[C@H]1CCOc2cc(Cl)cc(Cl)c21 ZINC001592394715 977947134 /nfs/dbraw/zinc/94/71/34/977947134.db2.gz DQFJCCFFCNPETO-KCJUWKMLSA-N -1 0 347.194 3.861 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC001592395680 977954479 /nfs/dbraw/zinc/95/44/79/977954479.db2.gz MUJCTKCFIRFKJM-VIFPVBQESA-N -1 0 338.816 3.903 20 0 EHADRM C[C@H](CC(=O)O[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F)C1CC1 ZINC001592424589 978046271 /nfs/dbraw/zinc/04/62/71/978046271.db2.gz UHAFZTMJENCBED-YMTOWFKASA-N -1 0 330.302 3.811 20 0 EHADRM C[C@@H](CC(=O)Oc1ccc(CC(=O)[O-])cc1)c1c[nH]c2ccccc21 ZINC001592433247 978065204 /nfs/dbraw/zinc/06/52/04/978065204.db2.gz DJUPFLKCNUOYFG-ZDUSSCGKSA-N -1 0 337.375 3.894 20 0 EHADRM C[C@H](CC(=O)OCc1cccc(C(=O)[O-])c1Cl)c1ccc(N)cc1 ZINC001592433847 978069432 /nfs/dbraw/zinc/06/94/32/978069432.db2.gz PCODQQALIIANBL-LLVKDONJSA-N -1 0 347.798 3.857 20 0 EHADRM Nc1ccccc1C(=S)Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001211490033 1014462413 /nfs/dbraw/zinc/46/24/13/1014462413.db2.gz MZEQUOFEHBGMMV-UHFFFAOYSA-N -1 0 340.326 3.773 20 0 EHADRM Cc1cc(Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)ccc1CO ZINC001211490350 1014473326 /nfs/dbraw/zinc/47/33/26/1014473326.db2.gz UNZHPECSLRHOJI-UHFFFAOYSA-N -1 0 325.286 3.948 20 0 EHADRM C[C@@](CCF)(NC(=O)c1cc2c(ccc3ccccc23)o1)C(=O)[O-] ZINC001592497981 978305164 /nfs/dbraw/zinc/30/51/64/978305164.db2.gz KZSGEODYQGNHQI-SFHVURJKSA-N -1 0 329.327 3.519 20 0 EHADRM C[C@@H](CCNC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)CC(C)(C)C ZINC001592514154 978355422 /nfs/dbraw/zinc/35/54/22/978355422.db2.gz YQKJQGVVAZVBQI-AWEZNQCLSA-N -1 0 334.460 3.989 20 0 EHADRM CCOc1ccccc1CCNC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000737211305 978388927 /nfs/dbraw/zinc/38/89/27/978388927.db2.gz PFTZJSGKBDIMDX-UHFFFAOYSA-N -1 0 343.383 3.539 20 0 EHADRM C[C@H](CCOC(=O)c1cc(C(=O)[O-])ccn1)c1c[nH]c2ccccc21 ZINC001592529673 978389485 /nfs/dbraw/zinc/38/94/85/978389485.db2.gz SRWXJZCNXHMMMB-GFCCVEGCSA-N -1 0 338.363 3.612 20 0 EHADRM C[C@@H](CCOc1ccccc1)C(=O)NC1(CCC(=O)[O-])CCCCC1 ZINC001592529782 978389929 /nfs/dbraw/zinc/38/99/29/978389929.db2.gz UWHJNAQZHVLYPT-INIZCTEOSA-N -1 0 347.455 3.776 20 0 EHADRM C[C@@H](CCc1ccc2c(c1)OCO2)Nc1cccc(CCC(=O)[O-])c1 ZINC001592540475 978424364 /nfs/dbraw/zinc/42/43/64/978424364.db2.gz KKUGUDXUXOGGCR-AWEZNQCLSA-N -1 0 341.407 3.866 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1cc(C)n([C@@H](C)C2CC2)n1 ZINC000547631636 1014496419 /nfs/dbraw/zinc/49/64/19/1014496419.db2.gz AGIGWDFVLWQCFV-ZDUSSCGKSA-N -1 0 333.457 3.526 20 0 EHADRM C[C@H](CN(Cc1ccccc1)c1cccc(Br)n1)C(=O)[O-] ZINC001592609698 978557364 /nfs/dbraw/zinc/55/73/64/978557364.db2.gz JKORFIDXKUBXPV-GFCCVEGCSA-N -1 0 349.228 3.571 20 0 EHADRM C[C@](CNC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21)(C(=O)[O-])c1ccccc1 ZINC001592647771 978628790 /nfs/dbraw/zinc/62/87/90/978628790.db2.gz OTMQENTUUNNRSZ-QTQZEZTPSA-N -1 0 343.467 3.752 20 0 EHADRM CCCC[C@H](NC(=O)/C=C\c1ccccc1O[C@H](C)CC)C(=O)[O-] ZINC000753907753 978694804 /nfs/dbraw/zinc/69/48/04/978694804.db2.gz ZNIYTVYLOWRBHI-QFZKEODISA-N -1 0 333.428 3.637 20 0 EHADRM Cc1c(COc2ccccc2)cccc1NC(=O)CCCC(=O)[O-] ZINC000753966693 978695470 /nfs/dbraw/zinc/69/54/70/978695470.db2.gz CLDZGNPZEJTTIF-UHFFFAOYSA-N -1 0 327.380 3.767 20 0 EHADRM CN(C(=O)c1cccc(-c2ccoc2)c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000761620650 978711945 /nfs/dbraw/zinc/71/19/45/978711945.db2.gz RZHRNDLZHYSFLU-GOSISDBHSA-N -1 0 335.359 3.845 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC000761653286 978713484 /nfs/dbraw/zinc/71/34/84/978713484.db2.gz XVOHJJGCDBYTNI-HXUWFJFHSA-N -1 0 339.391 3.888 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000762221168 978719061 /nfs/dbraw/zinc/71/90/61/978719061.db2.gz LETSMCPXNDHNEI-XIKOKIGWSA-N -1 0 333.359 3.644 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C\C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000767185554 978736431 /nfs/dbraw/zinc/73/64/31/978736431.db2.gz KLBKUBCGBANUCR-JQPIKURYSA-N -1 0 345.439 3.638 20 0 EHADRM CCCCSCC(=O)N[C@@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC000776655553 978767121 /nfs/dbraw/zinc/76/71/21/978767121.db2.gz QPSXAYFJBZITPF-AWEZNQCLSA-N -1 0 341.498 3.574 20 0 EHADRM CC/C(=C\C(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccc(C)cc1 ZINC000777394665 978780588 /nfs/dbraw/zinc/78/05/88/978780588.db2.gz GBBVDBYOSGKKQR-VAFHRPCXSA-N -1 0 329.440 3.892 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)c(OC(C)C)c1 ZINC000799243600 978836601 /nfs/dbraw/zinc/83/66/01/978836601.db2.gz MSCJIUZBCYGMCM-UHFFFAOYSA-N -1 0 347.342 3.572 20 0 EHADRM Cc1ccc(OC[C@@H](C)NC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000811815136 978858282 /nfs/dbraw/zinc/85/82/82/978858282.db2.gz GZCSWPGVFQLPSF-GFCCVEGCSA-N -1 0 347.798 3.544 20 0 EHADRM CCSCC[C@@H](C)N(C)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811821254 978865424 /nfs/dbraw/zinc/86/54/24/978865424.db2.gz XQSKTYAUCVQOCH-SNVBAGLBSA-N -1 0 329.849 3.642 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)Nc2ccc(-c3cnco3)cc2)c1 ZINC000811821633 978865734 /nfs/dbraw/zinc/86/57/34/978865734.db2.gz LLJMKYGANDWYAH-UHFFFAOYSA-N -1 0 342.738 3.946 20 0 EHADRM CCS[C@@H]1CCCC[C@H]1NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811821395 978865848 /nfs/dbraw/zinc/86/58/48/978865848.db2.gz DGCROUFRJUUZNF-ZIAGYGMSSA-N -1 0 341.860 3.832 20 0 EHADRM O=C([O-])c1cn(CC(=O)Nc2ccc(Cl)cc2F)c2ccccc12 ZINC000818805034 978923469 /nfs/dbraw/zinc/92/34/69/978923469.db2.gz ZKTMTUPMRGGERB-UHFFFAOYSA-N -1 0 346.745 3.771 20 0 EHADRM Cc1ccc([C@@H]2CCN(C(=O)c3ccc(/C=C/C(=O)[O-])o3)C2)c(C)c1 ZINC000826571810 978947090 /nfs/dbraw/zinc/94/70/90/978947090.db2.gz LOBALQLIBRYGOV-SBJJXXPASA-N -1 0 339.391 3.624 20 0 EHADRM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000828149942 978972882 /nfs/dbraw/zinc/97/28/82/978972882.db2.gz OIDWSRQETHLVSN-YOEHRIQHSA-N -1 0 338.407 3.870 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)[C@@H]2SCCc3ccccc32)cc1 ZINC000830507264 979019369 /nfs/dbraw/zinc/01/93/69/979019369.db2.gz GREJTDPYVLBVFD-MRXNPFEDSA-N -1 0 342.420 3.770 20 0 EHADRM CC[C@@H](C)c1nnc(N2CC[C@H](C(=O)[O-])C2)n1CC1(CC)CCCC1 ZINC001595019469 979096302 /nfs/dbraw/zinc/09/63/02/979096302.db2.gz ZNSMWWWHKIBUKO-CABCVRRESA-N -1 0 348.491 3.673 20 0 EHADRM CC[C@H](C)n1ncc(C(=O)Nc2ccc(C(=O)[O-])cc2C)c1C1CC1 ZINC001595024242 979126048 /nfs/dbraw/zinc/12/60/48/979126048.db2.gz RLYUAXUFGWIIPE-LBPRGKRZSA-N -1 0 341.411 3.990 20 0 EHADRM CC[C@H](C)n1nc(N[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])cc1C ZINC001595024526 979129054 /nfs/dbraw/zinc/12/90/54/979129054.db2.gz XAOLYMQKTNQUFV-XHDPSFHLSA-N -1 0 335.835 3.924 20 0 EHADRM CC[C@H](C)n1ncc(N[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])c1C ZINC001595026366 979135884 /nfs/dbraw/zinc/13/58/84/979135884.db2.gz HJVKLJZWCURWBL-NHYWBVRUSA-N -1 0 335.835 3.924 20 0 EHADRM CC[C@H](C)n1ncc(C(=O)OCc2cc(C(=O)[O-])sc2C)c1C ZINC001595027328 979142728 /nfs/dbraw/zinc/14/27/28/979142728.db2.gz SJDRIXCFZXHOGY-VIFPVBQESA-N -1 0 336.413 3.588 20 0 EHADRM C[C@H](CNC(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccc(F)cc1 ZINC001592694661 979148694 /nfs/dbraw/zinc/14/86/94/979148694.db2.gz YDCAFPIXJYZZAL-SNVBAGLBSA-N -1 0 335.762 3.711 20 0 EHADRM CC[C@@H](CC(=O)N1CCc2c(C(=O)[O-])ccc(OC)c2C1)C(C)(C)C ZINC001595033674 979177796 /nfs/dbraw/zinc/17/77/96/979177796.db2.gz PESRWEBOHZKKKP-ZDUSSCGKSA-N -1 0 347.455 3.741 20 0 EHADRM CC[C@@H](CC(=O)Nc1ccc(C(=O)[O-])c(O)c1)c1ccc(OC)cc1 ZINC001595037137 979203169 /nfs/dbraw/zinc/20/31/69/979203169.db2.gz PZYFGIUFKQHEDX-LBPRGKRZSA-N -1 0 343.379 3.621 20 0 EHADRM CC[C@@H](CC(F)F)C(=O)N[C@@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC001595042433 979234162 /nfs/dbraw/zinc/23/41/62/979234162.db2.gz LWHWQRBAADUPRC-GWCFXTLKSA-N -1 0 345.411 3.722 20 0 EHADRM CC[C@H](CC(F)F)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001595042439 979234465 /nfs/dbraw/zinc/23/44/65/979234465.db2.gz MDSWHMDPCJFPEC-LLVKDONJSA-N -1 0 331.384 3.624 20 0 EHADRM C[C@H](CNc1ncc(C(=O)[O-])cn1)c1c(Cl)cccc1Cl ZINC001592728192 979235250 /nfs/dbraw/zinc/23/52/50/979235250.db2.gz CKAFAMPNZVCTCG-MRVPVSSYSA-N -1 0 326.183 3.697 20 0 EHADRM CC[C@@H](CC(F)(F)F)NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001595042851 979239652 /nfs/dbraw/zinc/23/96/52/979239652.db2.gz WKMNMNLCLWEDAH-ZETCQYMHSA-N -1 0 338.713 3.891 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)NCc2ccc(C(=O)[O-])o2)c1 ZINC000836725375 979249887 /nfs/dbraw/zinc/24/98/87/979249887.db2.gz UJDKTBUJABFTRQ-ZDUSSCGKSA-N -1 0 329.396 3.596 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N1CC[C@H](C)C[C@H]1C(=O)[O-] ZINC000836755422 979262353 /nfs/dbraw/zinc/26/23/53/979262353.db2.gz YXOZDLPBKQTHBU-FZMZJTMJSA-N -1 0 347.436 3.621 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1ccc(OC(F)F)cc1F ZINC001595049842 979276423 /nfs/dbraw/zinc/27/64/23/979276423.db2.gz HNVDNPATZWDEGZ-UHFFFAOYSA-N -1 0 348.321 3.582 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1cc(F)c(Cl)cc1OC ZINC001595051114 979282219 /nfs/dbraw/zinc/28/22/19/979282219.db2.gz PTPNLQDCCWHYJF-UHFFFAOYSA-N -1 0 346.786 3.643 20 0 EHADRM O=C([O-])C1CCC(Nc2cccc(-c3cn4c(n3)CCCC4)c2)CC1 ZINC000840994480 979292182 /nfs/dbraw/zinc/29/21/82/979292182.db2.gz MXAVGLVCYKVTGV-UHFFFAOYSA-N -1 0 339.439 3.942 20 0 EHADRM Cc1ccsc1C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC000841501725 979303006 /nfs/dbraw/zinc/30/30/06/979303006.db2.gz QNHHNWMDGVBFKL-UHFFFAOYSA-N -1 0 344.436 3.997 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccsc2)ccc1N1CCCCC1 ZINC000841502333 979304880 /nfs/dbraw/zinc/30/48/80/979304880.db2.gz ZAEZTMGBBLZMNW-UHFFFAOYSA-N -1 0 330.409 3.689 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cccc2c(Cl)nccc12)C(=O)[O-] ZINC001595071381 979341151 /nfs/dbraw/zinc/34/11/51/979341151.db2.gz WWRMYGPOZNWXLH-UHFFFAOYSA-N -1 0 349.818 3.901 20 0 EHADRM CCC(CC)C(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001595103962 979416937 /nfs/dbraw/zinc/41/69/37/979416937.db2.gz MLMBEMUWXITBFK-OAHLLOKOSA-N -1 0 332.227 3.846 20 0 EHADRM CCC(CC)[C@H](NC(=O)Cc1ccc(C(=O)[O-])nc1)c1cccs1 ZINC001595106025 979427863 /nfs/dbraw/zinc/42/78/63/979427863.db2.gz FPJSZCTUKAPFKV-KRWDZBQOSA-N -1 0 346.452 3.678 20 0 EHADRM C[C@@H](CS(=O)(=O)[C@@H](C)c1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC001592788142 979428019 /nfs/dbraw/zinc/42/80/19/979428019.db2.gz PBYQFWWTUJWMEU-KBPBESRZSA-N -1 0 348.420 3.675 20 0 EHADRM CCC(CC)[C@@H](CCNC(=O)Nc1ccc(C(=O)[O-])cc1C)OC ZINC001595106608 979433870 /nfs/dbraw/zinc/43/38/70/979433870.db2.gz TYXZUYGLPZSHDT-MRXNPFEDSA-N -1 0 336.432 3.656 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)Nc2ccc(C(=O)[O-])nc2)cc1 ZINC001595121360 979489660 /nfs/dbraw/zinc/48/96/60/979489660.db2.gz JXJYIPLAHITPJM-UHFFFAOYSA-N -1 0 328.368 3.600 20 0 EHADRM CO[C@@H](C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)C1CCCCC1 ZINC000851593084 979502950 /nfs/dbraw/zinc/50/29/50/979502950.db2.gz LMHUALXMGYSUKS-CQSZACIVSA-N -1 0 325.792 3.572 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(/C=C\C(=O)[O-])o2)c1 ZINC000851594280 979505176 /nfs/dbraw/zinc/50/51/76/979505176.db2.gz HJVBKSCKLGNRSV-YHWKNFMLSA-N -1 0 325.364 3.663 20 0 EHADRM CCC(CC)n1nc(C(=O)N[C@@]2(C(=O)[O-])CCCC(C)(C)C2)cc1C ZINC001595124890 979506523 /nfs/dbraw/zinc/50/65/23/979506523.db2.gz TWMIYXPNLGGQQO-IBGZPJMESA-N -1 0 349.475 3.706 20 0 EHADRM CC(C)C[C@H](NC(=O)c1ccc(/C=C/C(=O)[O-])o1)c1cccs1 ZINC000851596332 979510926 /nfs/dbraw/zinc/51/09/26/979510926.db2.gz UWWPTJGXFAFZNX-CFNZNRNTSA-N -1 0 333.409 3.956 20 0 EHADRM CC[C@@H](CC1CCCCC1)C(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001595126238 979515981 /nfs/dbraw/zinc/51/59/81/979515981.db2.gz SSEBYKKFLAEXDF-SFHVURJKSA-N -1 0 331.456 3.927 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001595126455 979517858 /nfs/dbraw/zinc/51/78/58/979517858.db2.gz RXIJLQWIQARLAQ-UHFFFAOYSA-N -1 0 329.400 3.812 20 0 EHADRM CCCCC[C@H](C)CC(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC000851616141 979539091 /nfs/dbraw/zinc/53/90/91/979539091.db2.gz MKHMUSYTEJPTSK-XQQFMLRXSA-N -1 0 337.382 3.705 20 0 EHADRM C[C@@H](CSc1nnc(-c2ccccc2)cc1C(F)(F)F)C(=O)[O-] ZINC001592832011 979562186 /nfs/dbraw/zinc/56/21/86/979562186.db2.gz LDCQXBVJWHNESO-VIFPVBQESA-N -1 0 342.342 3.975 20 0 EHADRM CC(C)c1ccc(C[C@H](C)NC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC001592833128 979569122 /nfs/dbraw/zinc/56/91/22/979569122.db2.gz BNCSIZZIPGZZSB-MARXPDLDSA-N -1 0 341.407 3.862 20 0 EHADRM COc1cc2c(cc1Cl)CN(Cc1ccccc1CC(=O)[O-])CC2 ZINC000851708228 979577709 /nfs/dbraw/zinc/57/77/09/979577709.db2.gz BFDYFUASOYSHNC-UHFFFAOYSA-N -1 0 345.826 3.534 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)CC[C@@H]2CC2(Cl)Cl)c2ccccc21 ZINC000852945518 979587395 /nfs/dbraw/zinc/58/73/95/979587395.db2.gz QIHGXPHOMMQJJF-PWSUYJOCSA-N -1 0 342.222 3.566 20 0 EHADRM C[C@@](Cc1ccc(Cl)cc1)(NC(=O)[C@@H](F)c1ccccc1)C(=O)[O-] ZINC001592840054 979602166 /nfs/dbraw/zinc/60/21/66/979602166.db2.gz ZNSCWMVELKDGBD-YJBOKZPZSA-N -1 0 349.789 3.553 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001592840373 979606396 /nfs/dbraw/zinc/60/63/96/979606396.db2.gz YVTYOLKLLCECTR-LLVKDONJSA-N -1 0 347.802 3.528 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1c(F)ccc(F)c1C(=O)[O-] ZINC001592854130 979648925 /nfs/dbraw/zinc/64/89/25/979648925.db2.gz MGWIACLPEHKFCZ-VIFPVBQESA-N -1 0 337.297 3.619 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)CC[C@H]2CC2(Cl)Cl)cc1)C(=O)[O-] ZINC001592859796 979683592 /nfs/dbraw/zinc/68/35/92/979683592.db2.gz WPMHTEPVWDHXAB-PWSUYJOCSA-N -1 0 344.238 3.862 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N(C)[C@@H]2CCC(C)(C)C2)cc1)C(=O)[O-] ZINC001592859882 979685404 /nfs/dbraw/zinc/68/54/04/979685404.db2.gz ZMUTYEPJOKOACD-CZUORRHYSA-N -1 0 332.444 3.992 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N2CCC[C@@H](c3ccccc3)CC2)o1 ZINC000864108023 979697297 /nfs/dbraw/zinc/69/72/97/979697297.db2.gz IZTQSGUNBGWQCU-HGPCXVNDSA-N -1 0 339.391 3.787 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N[C@@H]2CCCC3(CC3)C2)cc1)C(=O)[O-] ZINC001592865497 979706142 /nfs/dbraw/zinc/70/61/42/979706142.db2.gz CCRSDFGQIXVMGC-XJKSGUPXSA-N -1 0 330.428 3.794 20 0 EHADRM COc1cc(C)cc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)c1C ZINC000864115830 979708523 /nfs/dbraw/zinc/70/85/23/979708523.db2.gz ZRZCCJOGIYQQHH-KRWDZBQOSA-N -1 0 341.407 3.648 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1)c1ccsc1 ZINC001592867375 979714953 /nfs/dbraw/zinc/71/49/53/979714953.db2.gz PEJBPYLLWTYLHH-NWDGAFQWSA-N -1 0 332.425 3.894 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)NC2(C(F)(F)F)CCC2)cc1)C(=O)[O-] ZINC001592868230 979719406 /nfs/dbraw/zinc/71/94/06/979719406.db2.gz WTCUZAKTQHLQKE-JTQLQIEISA-N -1 0 344.333 3.556 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)/C=C\c1ccccc1C(F)(F)F ZINC000864133653 979736038 /nfs/dbraw/zinc/73/60/38/979736038.db2.gz WEAJYNYDPJDZNC-YXVBKTCISA-N -1 0 341.329 3.574 20 0 EHADRM CC[C@H](CNc1ccccc1)NC(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC001595172673 979744421 /nfs/dbraw/zinc/74/44/21/979744421.db2.gz LGAROBKMMKMRGW-CQSZACIVSA-N -1 0 341.411 3.705 20 0 EHADRM C[C@@H](Cc1ccc(NC(=S)Nc2ccc(Cl)nc2)cc1)C(=O)[O-] ZINC001592877663 979745413 /nfs/dbraw/zinc/74/54/13/979745413.db2.gz OLYCEOHMGPIKQB-JTQLQIEISA-N -1 0 349.843 3.807 20 0 EHADRM CCN(C(=O)/C=C\c1cc(C(=O)[O-])co1)[C@@H](C)Cc1ccsc1 ZINC000864142771 979747891 /nfs/dbraw/zinc/74/78/91/979747891.db2.gz PZECCAIISUTHBW-RXNFCKPNSA-N -1 0 333.409 3.532 20 0 EHADRM C[C@H](Cc1ccc(Nc2c(F)c(F)nc(F)c2F)cc1)C(=O)[O-] ZINC001592883309 979759797 /nfs/dbraw/zinc/75/97/97/979759797.db2.gz PRZGFGVTFYHXAL-SSDOTTSWSA-N -1 0 328.265 3.645 20 0 EHADRM CC(C)(CC(=O)NCc1ccc(C(=O)[O-])cc1F)c1ccc(F)cc1 ZINC000864153739 979764170 /nfs/dbraw/zinc/76/41/70/979764170.db2.gz HXJBEDDGTRKIQS-UHFFFAOYSA-N -1 0 347.361 3.647 20 0 EHADRM O=C([O-])c1coc(/C=C\C(=O)N[C@@H](C2CCCCC2)C(F)(F)F)c1 ZINC000864156719 979768547 /nfs/dbraw/zinc/76/85/47/979768547.db2.gz BBBBSWWVZCZNFP-AFNCTOJWSA-N -1 0 345.317 3.618 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)NC1(CCC(=O)[O-])CCCCC1 ZINC001592886177 979773229 /nfs/dbraw/zinc/77/32/29/979773229.db2.gz YVGKUVRBWQQMDD-CQSZACIVSA-N -1 0 335.419 3.688 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-] ZINC001592890670 979779300 /nfs/dbraw/zinc/77/93/00/979779300.db2.gz JKVJAJQNIUHQCH-RISCZKNCSA-N -1 0 325.836 3.524 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001592892292 979791186 /nfs/dbraw/zinc/79/11/86/979791186.db2.gz ZJMAFGPBMVVDOT-JTQLQIEISA-N -1 0 335.762 3.995 20 0 EHADRM CC(C)C[C@H](C(=O)N[C@H]1CC=C(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000864167090 979791729 /nfs/dbraw/zinc/79/17/29/979791729.db2.gz BLDZZKNTWUKQLX-HOTGVXAUSA-N -1 0 335.831 3.759 20 0 EHADRM CCC[C@@H](C(=O)N[C@](C)(CC(=O)[O-])C1CC1)c1cccc(Cl)c1 ZINC000864201141 979878104 /nfs/dbraw/zinc/87/81/04/979878104.db2.gz NUCUHRPOPFGFOK-CRAIPNDOSA-N -1 0 337.847 3.983 20 0 EHADRM C[C@H](Cn1ccc2ccccc21)C(=O)OCc1ccc(C(=O)[O-])s1 ZINC001592917885 979897693 /nfs/dbraw/zinc/89/76/93/979897693.db2.gz CGCKUDMBKKGZCI-GFCCVEGCSA-N -1 0 343.404 3.781 20 0 EHADRM Cc1cc(C(=O)N2CC[C@H](c3ccccc3F)C2(C)C)oc1C(=O)[O-] ZINC000864218406 979907510 /nfs/dbraw/zinc/90/75/10/979907510.db2.gz VNPKKBQCTZXVGG-CYBMUJFWSA-N -1 0 345.370 3.834 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)[C@@H](C)c2c(F)cccc2F)c1 ZINC000864233698 979932148 /nfs/dbraw/zinc/93/21/48/979932148.db2.gz YRAKUTXRFNJAPT-LRDDRELGSA-N -1 0 347.361 3.709 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)N1CCCc2ccc(C(=O)[O-])cc21 ZINC001595210083 979982504 /nfs/dbraw/zinc/98/25/04/979982504.db2.gz BKPHVSRCPOSGBJ-INIZCTEOSA-N -1 0 337.419 3.933 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001595210511 979984274 /nfs/dbraw/zinc/98/42/74/979984274.db2.gz HZWUBRFANYHGCA-KRWDZBQOSA-N -1 0 325.408 3.578 20 0 EHADRM CC(F)(F)CC(=O)OCc1c(C(=O)[O-])sc2cccc(F)c21 ZINC001592936308 980000793 /nfs/dbraw/zinc/00/07/93/980000793.db2.gz SRWAXWAWGHFXEH-UHFFFAOYSA-N -1 0 332.299 3.827 20 0 EHADRM CC[C@@H](Cc1ccc(F)cc1)NC(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001595213611 980008374 /nfs/dbraw/zinc/00/83/74/980008374.db2.gz WHDLMMQMPRXENK-INIZCTEOSA-N -1 0 344.386 3.975 20 0 EHADRM CC(F)(F)CNCc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC001592943966 980018422 /nfs/dbraw/zinc/01/84/22/980018422.db2.gz RSOBHWRVQGBQML-UHFFFAOYSA-N -1 0 335.350 3.709 20 0 EHADRM CC(F)(F)c1ccccc1NC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001592944027 980018536 /nfs/dbraw/zinc/01/85/36/980018536.db2.gz GMLRKNOCCLWDBY-GTNSWQLSSA-N -1 0 338.354 3.517 20 0 EHADRM CC(F)(F)c1ccc(CNC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001592945420 980026817 /nfs/dbraw/zinc/02/68/17/980026817.db2.gz ZZALDRQNKRSFKV-UHFFFAOYSA-N -1 0 334.322 3.818 20 0 EHADRM CC[C@@H](Cc1cccs1)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001595218664 980034385 /nfs/dbraw/zinc/03/43/85/980034385.db2.gz KLSLWYRTOVWUEP-ZDUSSCGKSA-N -1 0 329.425 3.616 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)Nc1ncc(C(=O)[O-])cc1Cl ZINC001595219468 980039768 /nfs/dbraw/zinc/03/97/68/980039768.db2.gz OYMRHNROIPYWRV-GFCCVEGCSA-N -1 0 346.814 3.949 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC001595219693 980041316 /nfs/dbraw/zinc/04/13/16/980041316.db2.gz QCVMJPIWLIWEJM-MRXNPFEDSA-N -1 0 331.456 3.858 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC001595219944 980043174 /nfs/dbraw/zinc/04/31/74/980043174.db2.gz UCIBTHUNDXCGKI-OXFYSEKESA-N -1 0 331.456 3.713 20 0 EHADRM CO[C@H]1CC[C@H](C)N(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000872160259 980047445 /nfs/dbraw/zinc/04/74/45/980047445.db2.gz BZAJVCSFAWCHGU-LRDDRELGSA-N -1 0 346.452 3.508 20 0 EHADRM CCC(F)(F)C(C)(C)CNC(=O)Nc1cccc(C(=O)[O-])c1C ZINC001595221712 980053614 /nfs/dbraw/zinc/05/36/14/980053614.db2.gz ODZGKZQIDMZODT-UHFFFAOYSA-N -1 0 328.359 3.886 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)Nc2ccc(OCC(=O)[O-])cc2)c1 ZINC000872718521 980099113 /nfs/dbraw/zinc/09/91/13/980099113.db2.gz VHCQXQFZRQFPNS-UHFFFAOYSA-N -1 0 343.379 3.580 20 0 EHADRM Cc1occ(C(F)(F)F)c1C(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC000872738921 980129943 /nfs/dbraw/zinc/12/99/43/980129943.db2.gz UDAPCYMCWNCZOJ-NSHDSACASA-N -1 0 347.333 3.618 20 0 EHADRM CC[C@](NC(=O)/C=C1/CC[C@@H](C)C1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595237409 980144747 /nfs/dbraw/zinc/14/47/47/980144747.db2.gz GCFGSRMOLNCQGX-PMKRLSRXSA-N -1 0 335.831 3.893 20 0 EHADRM CC[C@](NC(=O)CCCc1sccc1C)(C(=O)[O-])c1ccccc1 ZINC001595241778 980163350 /nfs/dbraw/zinc/16/33/50/980163350.db2.gz ZKKYMKMOSLVOGB-LJQANCHMSA-N -1 0 345.464 3.886 20 0 EHADRM C[C@@H](NC(=O)C1(C2CCCCC2)CC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001592993512 980195217 /nfs/dbraw/zinc/19/52/17/980195217.db2.gz DSFAEBJUYCTTDC-QAPCUYQASA-N -1 0 343.467 3.795 20 0 EHADRM CC[C@@H](NC(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1)c1cc(C)ccc1C ZINC001595248850 980199479 /nfs/dbraw/zinc/19/94/79/980199479.db2.gz CUDVLMHCMCLWAG-GMBSWORKSA-N -1 0 332.444 3.507 20 0 EHADRM CC[C@H](NC(=O)NCc1ccc(C(=O)[O-])o1)c1cc(C)ccc1C ZINC001595252391 980218630 /nfs/dbraw/zinc/21/86/30/980218630.db2.gz FXGPJNDVEWAVFQ-HNNXBMFYSA-N -1 0 330.384 3.545 20 0 EHADRM CC[C@@H](NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)[C@H]1CC1(C)C ZINC001595252679 980222849 /nfs/dbraw/zinc/22/28/49/980222849.db2.gz PGVLLOWFZXCNDH-BXKDBHETSA-N -1 0 326.343 3.609 20 0 EHADRM O=C([O-])c1cc2n(n1)CCC[C@@H]2NCc1csc(Cl)c1Cl ZINC000900071217 980243103 /nfs/dbraw/zinc/24/31/03/980243103.db2.gz PSAHBHLMAAPHIC-QMMMGPOBSA-N -1 0 346.239 3.574 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F)[C@@H]1CC1(C)C ZINC001595257322 980245111 /nfs/dbraw/zinc/24/51/11/980245111.db2.gz RBMMILILUZHDBA-WCBMZHEXSA-N -1 0 326.343 3.609 20 0 EHADRM CC[C@H](NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-])C1CCCCC1 ZINC001595258912 980259698 /nfs/dbraw/zinc/25/96/98/980259698.db2.gz FRJZIPDYRMMUPW-INIZCTEOSA-N -1 0 342.439 3.884 20 0 EHADRM Cc1cc(CN(Cc2cccs2)C[C@H]2CCCO2)oc1C(=O)[O-] ZINC000901416290 980261587 /nfs/dbraw/zinc/26/15/87/980261587.db2.gz FSUBVFSEWJADNF-CYBMUJFWSA-N -1 0 335.425 3.529 20 0 EHADRM CC[C@@](NCc1nc(C)sc1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595304895 980441185 /nfs/dbraw/zinc/44/11/85/980441185.db2.gz BASWCQNKLYLIBW-INIZCTEOSA-N -1 0 338.860 3.893 20 0 EHADRM CC[C@H](NCc1nc2cc(C(=O)[O-])ccc2[nH]1)c1ccc(F)cc1F ZINC001595304878 980441255 /nfs/dbraw/zinc/44/12/55/980441255.db2.gz ATPNKZHOFMSQET-AWEZNQCLSA-N -1 0 345.349 3.780 20 0 EHADRM O=C([O-])c1cc(NCc2ccncc2F)ccc1N1CCCCC1 ZINC000901776000 980506527 /nfs/dbraw/zinc/50/65/27/980506527.db2.gz OMXDAZNCWKXUOS-UHFFFAOYSA-N -1 0 329.375 3.521 20 0 EHADRM O=C([O-])[C@]1(C(F)(F)F)CCN(Cc2ccc(C(F)(F)F)s2)C1 ZINC000901788425 980518703 /nfs/dbraw/zinc/51/87/03/980518703.db2.gz GCNZIIWUIZYIFD-JTQLQIEISA-N -1 0 347.280 3.606 20 0 EHADRM COc1cc(C)c(CNc2cccc([C@H](C)C(=O)[O-])c2)cc1OC ZINC000901813991 980535101 /nfs/dbraw/zinc/53/51/01/980535101.db2.gz IZHIOHWBSBFKLB-ZDUSSCGKSA-N -1 0 329.396 3.812 20 0 EHADRM Cc1c(Br)cncc1CNc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000901814632 980535817 /nfs/dbraw/zinc/53/58/17/980535817.db2.gz MREVALZGKQWLGZ-LLVKDONJSA-N -1 0 349.228 3.953 20 0 EHADRM CC[C@H](OC(=O)c1cc(-c2cccs2)nc2ccccc21)C(=O)[O-] ZINC001595344592 980627850 /nfs/dbraw/zinc/62/78/50/980627850.db2.gz MIBRDYKZGCHFPA-HNNXBMFYSA-N -1 0 341.388 3.983 20 0 EHADRM CC[C@H](OC(=O)c1sc(-c2ccc(Cl)cc2)nc1C)C(=O)[O-] ZINC001595353745 980685265 /nfs/dbraw/zinc/68/52/65/980685265.db2.gz JSDRKLIAKJXROY-NSHDSACASA-N -1 0 339.800 3.792 20 0 EHADRM CO[C@H]1CCN(Cc2ccc(-c3ccccc3Cl)o2)[C@@H](C(=O)[O-])C1 ZINC000902032043 980704368 /nfs/dbraw/zinc/70/43/68/980704368.db2.gz OYPACBFNXLOBCI-BLLLJJGKSA-N -1 0 349.814 3.664 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1Cc1ncc(Cl)s1 ZINC000902047904 980713261 /nfs/dbraw/zinc/71/32/61/980713261.db2.gz UPEOMUQJRKLNNO-RYUDHWBXSA-N -1 0 328.865 3.652 20 0 EHADRM CC[C@@H](OCCOC(=O)c1cscc1C(=O)[O-])c1ccccc1 ZINC001595356823 980715982 /nfs/dbraw/zinc/71/59/82/980715982.db2.gz OMYWSVNFDIMKKY-OAHLLOKOSA-N -1 0 334.393 3.771 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)Oc1cc(C(=O)[O-])cc(F)c1C ZINC001595357062 980718582 /nfs/dbraw/zinc/71/85/82/980718582.db2.gz UUNYSJCEKNIKAT-HNNXBMFYSA-N -1 0 338.375 3.866 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001595357462 980722674 /nfs/dbraw/zinc/72/26/74/980722674.db2.gz ZXYVKXUXZNMHGR-IRXDYDNUSA-N -1 0 347.455 3.550 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001595358861 980736235 /nfs/dbraw/zinc/73/62/35/980736235.db2.gz LWFFMZLMSBSZNF-INIZCTEOSA-N -1 0 347.411 3.962 20 0 EHADRM COc1ccc(NCc2ccoc2C(=O)[O-])cc1OC1CCCC1 ZINC000902130964 980750096 /nfs/dbraw/zinc/75/00/96/980750096.db2.gz HPZFWXHGZZSFLS-UHFFFAOYSA-N -1 0 331.368 3.920 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cccc(OC)c1F ZINC001595360590 980753203 /nfs/dbraw/zinc/75/32/03/980753203.db2.gz ISPRGAYFURIEIS-OAHLLOKOSA-N -1 0 345.370 3.512 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)CC1CCC(OC)CC1 ZINC001595360843 980756251 /nfs/dbraw/zinc/75/62/51/980756251.db2.gz BHEKBNGUXDATSI-VJFUWPCTSA-N -1 0 347.455 3.646 20 0 EHADRM CCC(C)(C)NC(=O)c1ccc(NCc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000902150005 980758144 /nfs/dbraw/zinc/75/81/44/980758144.db2.gz HLDLCRRLPISRBX-UHFFFAOYSA-N -1 0 344.411 3.817 20 0 EHADRM COCCOc1ccc(NCc2cc(C)c(C(=O)[O-])o2)cc1Cl ZINC000902152654 980760070 /nfs/dbraw/zinc/76/00/70/980760070.db2.gz ONIBHQCRBDKRIQ-UHFFFAOYSA-N -1 0 339.775 3.577 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)CSc1ccccc1 ZINC001595361181 980760214 /nfs/dbraw/zinc/76/02/14/980760214.db2.gz DRISXOZMDDEVLP-KRWDZBQOSA-N -1 0 343.448 3.843 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@@H](C)OC1CCCCC1 ZINC001595361449 980761883 /nfs/dbraw/zinc/76/18/83/980761883.db2.gz IARDMZFGABWHBH-QAPCUYQASA-N -1 0 347.455 3.789 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@H](C)OCCC(C)C ZINC001595361720 980764272 /nfs/dbraw/zinc/76/42/72/980764272.db2.gz NCFCYYMGVBLJMY-DOTOQJQBSA-N -1 0 335.444 3.502 20 0 EHADRM CC(C)c1cc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c(O)c(C(C)C)c1 ZINC000902172776 980767556 /nfs/dbraw/zinc/76/75/56/980767556.db2.gz DQHOVDOQVUVCQD-DZGCQCFKSA-N -1 0 347.455 3.822 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC)C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001595364589 980795235 /nfs/dbraw/zinc/79/52/35/980795235.db2.gz SVCFPOYNHKBCAD-INIZCTEOSA-N -1 0 327.384 3.785 20 0 EHADRM Cc1cc(N[C@@H]2CC[C@H](CC(=O)[O-])[C@H]2C)ccc1OC1CCOCC1 ZINC000902279926 980814758 /nfs/dbraw/zinc/81/47/58/980814758.db2.gz CKBSGEBGDJHTHV-IIDMSEBBSA-N -1 0 347.455 3.854 20 0 EHADRM O=C([O-])COc1ccc(CNc2ccccc2OCC2CC2)cc1 ZINC000902296676 980823316 /nfs/dbraw/zinc/82/33/16/980823316.db2.gz UTSWUGOGZFFJFH-UHFFFAOYSA-N -1 0 327.380 3.551 20 0 EHADRM CCCN1C(=O)CCc2cc(NCc3cc(C)c(C(=O)[O-])o3)ccc21 ZINC000902387180 980865650 /nfs/dbraw/zinc/86/56/50/980865650.db2.gz GFJAVVSQWIUQEP-UHFFFAOYSA-N -1 0 342.395 3.588 20 0 EHADRM CCC1(CC)[C@H](N(C)C(=O)Nc2ccc(C(=O)[O-])cc2C)C[C@@H]1OC ZINC001595374442 980883819 /nfs/dbraw/zinc/88/38/19/980883819.db2.gz YUZAEDYFCDZHJG-CVEARBPZSA-N -1 0 348.443 3.751 20 0 EHADRM CCC1(CC)CCC(NC(=O)Nc2nc(CC(=O)[O-])cs2)CC1 ZINC001595374539 980885335 /nfs/dbraw/zinc/88/53/35/980885335.db2.gz GONAHHBKHHHTCR-UHFFFAOYSA-N -1 0 339.461 3.641 20 0 EHADRM COc1ccc2[nH]c3c(c2c1)CCN([C@@H](C)c1ccc(C(=O)[O-])o1)C3 ZINC000903618223 980996001 /nfs/dbraw/zinc/99/60/01/980996001.db2.gz CIDJEYILGRJTBV-NSHDSACASA-N -1 0 340.379 3.587 20 0 EHADRM O=C([O-])c1ccc(Cl)c(CN2CCS[C@@H](C(F)(F)F)C2)c1 ZINC000903629447 981004692 /nfs/dbraw/zinc/00/46/92/981004692.db2.gz GREZBUPBFGMSJC-LLVKDONJSA-N -1 0 339.766 3.518 20 0 EHADRM CCCN(Cc1cc(C(=O)[O-])ccc1Br)CC(F)F ZINC000903890071 981022284 /nfs/dbraw/zinc/02/22/84/981022284.db2.gz UUVHOIHGNFKWSW-UHFFFAOYSA-N -1 0 336.176 3.624 20 0 EHADRM CC[C@@H]1CC[C@H](C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)O1 ZINC001595415583 981028665 /nfs/dbraw/zinc/02/86/65/981028665.db2.gz HLEDREDFMDVZDJ-XTWCZFFVSA-N -1 0 347.194 3.620 20 0 EHADRM CCC1CCC(NC(=O)CC(C)(C)c2ccccc2)(C(=O)[O-])CC1 ZINC001595420619 981036635 /nfs/dbraw/zinc/03/66/35/981036635.db2.gz DFUCDEZDMALOCE-UHFFFAOYSA-N -1 0 331.456 3.894 20 0 EHADRM CCC1CCC(NC(=O)[C@H](C)CSc2ccccc2)(C(=O)[O-])CC1 ZINC001595420764 981038270 /nfs/dbraw/zinc/03/82/70/981038270.db2.gz ZBHJDFLNKFXYBG-TZGCNFNXSA-N -1 0 349.496 3.955 20 0 EHADRM CCC1CCC(NC(=O)c2cnc(C(C)(C)C)s2)(C(=O)[O-])CC1 ZINC001595425588 981046081 /nfs/dbraw/zinc/04/60/81/981046081.db2.gz QFBHZHAVCRJBEX-UHFFFAOYSA-N -1 0 338.473 3.594 20 0 EHADRM CC[C@@H]1CC[C@@H]1Nc1cc(I)cc(C(=O)[O-])c1 ZINC001595431572 981053049 /nfs/dbraw/zinc/05/30/49/981053049.db2.gz WWSSJCJOQRIKNH-PELKAZGASA-N -1 0 345.180 3.590 20 0 EHADRM CC[C@@H]1CCC[C@H]1C(=O)N[C@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC001595435172 981063283 /nfs/dbraw/zinc/06/32/83/981063283.db2.gz HJAUPQRDUYOIEJ-DAXOMENPSA-N -1 0 335.469 3.867 20 0 EHADRM CC[C@@H]1CCC[C@@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC001595435173 981063347 /nfs/dbraw/zinc/06/33/47/981063347.db2.gz HJAUPQRDUYOIEJ-KCXAZCMYSA-N -1 0 335.469 3.867 20 0 EHADRM CC[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001595435749 981066001 /nfs/dbraw/zinc/06/60/01/981066001.db2.gz MLWQLOSDPIGSOX-ZJUUUORDSA-N -1 0 340.217 3.912 20 0 EHADRM CC[C@H]1CCCC[C@H]1C(=O)Nc1cc(C(F)(F)F)cnc1C(=O)[O-] ZINC001595441239 981078792 /nfs/dbraw/zinc/07/87/92/981078792.db2.gz OWDKDDQSXCENSV-GXSJLCMTSA-N -1 0 344.333 3.954 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1c1ccc(C(=O)[O-])n1C ZINC001595441891 981081018 /nfs/dbraw/zinc/08/10/18/981081018.db2.gz VHLUSLWPKCBYFL-HLLBOEOZSA-N -1 0 346.471 3.993 20 0 EHADRM CC[C@H]1CCCC[C@H]1CNC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001595442338 981082115 /nfs/dbraw/zinc/08/21/15/981082115.db2.gz ZDHPUTVEGDMBIA-JSGCOSHPSA-N -1 0 336.407 3.540 20 0 EHADRM CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001595443834 981083885 /nfs/dbraw/zinc/08/38/85/981083885.db2.gz CIUGLZDGTLKZFE-JSGCOSHPSA-N -1 0 333.432 3.541 20 0 EHADRM CSc1ccc(NC(=O)[C@H]2CCOC3(CCCC3)C2)cc1C(=O)[O-] ZINC000905044016 981086554 /nfs/dbraw/zinc/08/65/54/981086554.db2.gz OAPVAUFDDGGRDT-LBPRGKRZSA-N -1 0 349.452 3.785 20 0 EHADRM CC[C@H]1CCCC[C@@H]1OCC(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1 ZINC001595447714 981096643 /nfs/dbraw/zinc/09/66/43/981096643.db2.gz JGCDUEVTDLTFLZ-YOEHRIQHSA-N -1 0 348.439 3.940 20 0 EHADRM CCOc1cccc2cc([C@@H](C)NCc3ccc(C(=O)[O-])cn3)oc21 ZINC000905720065 981122577 /nfs/dbraw/zinc/12/25/77/981122577.db2.gz WEOVWVHODWOWJT-GFCCVEGCSA-N -1 0 340.379 3.776 20 0 EHADRM CC(F)(F)c1cccc(NC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c1 ZINC000907659072 981204966 /nfs/dbraw/zinc/20/49/66/981204966.db2.gz OXWIUDVYQOEQTD-BEFAXECRSA-N -1 0 345.345 3.995 20 0 EHADRM CC[C@@H]1CN(Cc2ccc(C3(C(=O)[O-])CC3)cc2)c2ccccc2O1 ZINC001595488501 981235951 /nfs/dbraw/zinc/23/59/51/981235951.db2.gz OUGTWTLCUFOTBF-QGZVFWFLSA-N -1 0 337.419 3.980 20 0 EHADRM CC[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2OC)c2ccccc2O1 ZINC001595489483 981239830 /nfs/dbraw/zinc/23/98/30/981239830.db2.gz WBDZCQXCHSXAQJ-OAHLLOKOSA-N -1 0 327.380 3.571 20 0 EHADRM CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001595504275 981278207 /nfs/dbraw/zinc/27/82/07/981278207.db2.gz ITAVLNAUAIZSEV-CQSZACIVSA-N -1 0 330.409 3.988 20 0 EHADRM CCSc1ccccc1C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC000908246562 981288985 /nfs/dbraw/zinc/28/89/85/981288985.db2.gz ODJOCVOGMJIZLQ-HNNXBMFYSA-N -1 0 343.448 3.614 20 0 EHADRM CC/C=C(\F)C(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001595508147 981295378 /nfs/dbraw/zinc/29/53/78/981295378.db2.gz RQQUYOVTYBBVHH-CNRJSHIUSA-N -1 0 334.174 3.673 20 0 EHADRM O=C(/C=C/SCc1ccco1)NCCCCC1(C(=O)[O-])CCC1 ZINC000908338572 981303675 /nfs/dbraw/zinc/30/36/75/981303675.db2.gz KVAQNAUCWMWDDD-WUXMJOGZSA-N -1 0 337.441 3.568 20 0 EHADRM COc1c(NC(=O)C[C@@H](C)c2ccccc2C)cccc1C(=O)[O-] ZINC000908506253 981319202 /nfs/dbraw/zinc/31/92/02/981319202.db2.gz DCRQCJCKCYIUGH-CYBMUJFWSA-N -1 0 327.380 3.834 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3CCC(c4ccccc4)CC3)(CC1)CC2 ZINC000908710554 981344551 /nfs/dbraw/zinc/34/45/51/981344551.db2.gz SHHLLUMZDOSIAM-UHFFFAOYSA-N -1 0 341.451 3.818 20 0 EHADRM CC(C)c1nc2cc(NC(=O)C34CCC(C(=O)[O-])(CC3)C4)ccc2o1 ZINC000908725633 981348482 /nfs/dbraw/zinc/34/84/82/981348482.db2.gz ZKLZLLCBAZNMNL-UHFFFAOYSA-N -1 0 342.395 3.925 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)NC[C@H]1CCCc2ccccc21 ZINC000908727568 981349127 /nfs/dbraw/zinc/34/91/27/981349127.db2.gz UBAAFNIODULLHT-QGZVFWFLSA-N -1 0 337.419 3.554 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1OC1CCCC1 ZINC000908741412 981352054 /nfs/dbraw/zinc/35/20/54/981352054.db2.gz YLELYBXENNMIHC-LSDHHAIUSA-N -1 0 331.412 3.838 20 0 EHADRM C[C@@H](NC(=O)C12CCC(C(=O)[O-])(CC1)CC2)C(C)(C)c1ccccc1 ZINC000908774167 981360551 /nfs/dbraw/zinc/36/05/51/981360551.db2.gz PEWCNSHPINVKBD-TVRCVXMWSA-N -1 0 343.467 3.894 20 0 EHADRM CC[C@@H](C)[C@@H](C)N(C(=O)c1[nH]c2ccccc2c1CC(=O)[O-])C1CC1 ZINC000908785608 981362368 /nfs/dbraw/zinc/36/23/68/981362368.db2.gz HZJOMIOKCAQWQJ-CHWSQXEVSA-N -1 0 342.439 3.834 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c(C)c1 ZINC000908792244 981363431 /nfs/dbraw/zinc/36/34/31/981363431.db2.gz FFNIYMOYGCYSAB-YMTQGWHGSA-N -1 0 343.467 3.776 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)s1 ZINC000908815660 981367378 /nfs/dbraw/zinc/36/73/78/981367378.db2.gz FAEXIGSNRKJVSU-RGZNSWCXSA-N -1 0 335.469 3.529 20 0 EHADRM CCC[C@H](C(=O)N1CC[C@H](C)C[C@@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC001595532440 981371861 /nfs/dbraw/zinc/37/18/61/981371861.db2.gz JNYUJXZGMVVHCQ-VBNZEHGJSA-N -1 0 337.847 3.935 20 0 EHADRM CCS[C@@H]1CC[C@H](N(C)C(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1 ZINC000908835642 981372414 /nfs/dbraw/zinc/37/24/14/981372414.db2.gz PSMQPJVLMIEGCE-BULQSVBWSA-N -1 0 339.501 3.544 20 0 EHADRM CCC[C@H](C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)c1ccc(Cl)cc1 ZINC001595536804 981384951 /nfs/dbraw/zinc/38/49/51/981384951.db2.gz DQOGVJHUMANQNK-GJVDQKBNSA-N -1 0 349.858 3.839 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000908964746 981392493 /nfs/dbraw/zinc/39/24/93/981392493.db2.gz WSIYYLUKROXGCC-NSHDSACASA-N -1 0 331.334 3.521 20 0 EHADRM CN(C(=O)c1coc(C2CCCCC2)n1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000909000887 981398621 /nfs/dbraw/zinc/39/86/21/981398621.db2.gz QOUKAEUCWYXLIM-MRXNPFEDSA-N -1 0 342.395 3.620 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)[C@H]2CCCCS2)c2ccccc12 ZINC000909072075 981412984 /nfs/dbraw/zinc/41/29/84/981412984.db2.gz UCIRKTOLVTYDLV-MRXNPFEDSA-N -1 0 345.420 3.527 20 0 EHADRM C[C@@H](c1ccc(C(=O)NCc2ccc(C(=O)[O-])o2)cc1)C(F)(F)F ZINC000909262381 981450639 /nfs/dbraw/zinc/45/06/39/981450639.db2.gz VCQPMLZSCIEEOM-VIFPVBQESA-N -1 0 341.285 3.574 20 0 EHADRM CCC[C@@H](C)C(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001595566575 981462026 /nfs/dbraw/zinc/46/20/26/981462026.db2.gz DKPCPWNYPUYAFG-PSLIRLAXSA-N -1 0 332.227 3.846 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2[nH]ccc2C2CC2)cc1 ZINC000909324735 981468040 /nfs/dbraw/zinc/46/80/40/981468040.db2.gz GISVPJVHURFPOA-HNNXBMFYSA-N -1 0 344.436 3.560 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000909414071 981488169 /nfs/dbraw/zinc/48/81/69/981488169.db2.gz VYKMWWJZTAYDQZ-UONOGXRCSA-N -1 0 335.375 3.587 20 0 EHADRM CC(C)(CNC(=O)c1ccoc1CC(=O)[O-])Cc1cccc(Cl)c1 ZINC000909413691 981488231 /nfs/dbraw/zinc/48/82/31/981488231.db2.gz STGGDWGVWQKBMN-UHFFFAOYSA-N -1 0 349.814 3.559 20 0 EHADRM CCC[C@@H](CC(C)C)C(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC001595578227 981499031 /nfs/dbraw/zinc/49/90/31/981499031.db2.gz BKHDATMCIZPPIY-NHYWBVRUSA-N -1 0 327.371 3.669 20 0 EHADRM CC(C)c1scnc1C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000909521275 981527794 /nfs/dbraw/zinc/52/77/94/981527794.db2.gz AVPJTTDLZXNIPZ-LLVKDONJSA-N -1 0 332.425 3.782 20 0 EHADRM CCC[C@@H](CC(C)C)C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-] ZINC001595585957 981527897 /nfs/dbraw/zinc/52/78/97/981527897.db2.gz JWYLMBPXDFXANW-JKSUJKDBSA-N -1 0 337.435 3.648 20 0 EHADRM CCC[C@@H](CC(C)C)C(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001595586129 981529294 /nfs/dbraw/zinc/52/92/94/981529294.db2.gz PRPDMCLYJZPSGD-ZDUSSCGKSA-N -1 0 331.416 3.522 20 0 EHADRM CCC[C@H](CC(C)C)C(=O)Oc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001595586354 981532017 /nfs/dbraw/zinc/53/20/17/981532017.db2.gz XBRRTJGGKYXFQW-GFCCVEGCSA-N -1 0 336.384 3.539 20 0 EHADRM C[C@@]1(NC(=O)C2CCC(C(F)(F)F)CC2)CCCC[C@H]1C(=O)[O-] ZINC000909538874 981536598 /nfs/dbraw/zinc/53/65/98/981536598.db2.gz UQPALYLANJGWLL-RJVJFLMVSA-N -1 0 335.366 3.505 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N(C)[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000909548981 981538843 /nfs/dbraw/zinc/53/88/43/981538843.db2.gz KGBFGRNFHDJFOJ-GXTWGEPZSA-N -1 0 346.452 3.749 20 0 EHADRM O=C([O-])C12CCC(C(=O)NCC3(c4ccccc4Cl)CC3)(CC1)C2 ZINC000909551870 981539608 /nfs/dbraw/zinc/53/96/08/981539608.db2.gz LEZFFKVCCQNFAD-UHFFFAOYSA-N -1 0 347.842 3.523 20 0 EHADRM CCC[C@@H](CCc1ccccc1)NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001595591523 981547821 /nfs/dbraw/zinc/54/78/21/981547821.db2.gz LFVKJOMNQHRAIW-SQNIBIBYSA-N -1 0 346.471 3.731 20 0 EHADRM CCC(CC)(NC(=O)c1ccc(NCc2ccsc2)cc1)C(=O)[O-] ZINC000909615227 981551596 /nfs/dbraw/zinc/55/15/96/981551596.db2.gz ZBGQZXNHJHOIHK-UHFFFAOYSA-N -1 0 346.452 3.733 20 0 EHADRM CCC[C@H](NC(=O)CSc1ncccc1C(=O)[O-])c1ccccc1 ZINC001595598661 981568932 /nfs/dbraw/zinc/56/89/32/981568932.db2.gz NERHYTNIUWAYPL-HNNXBMFYSA-N -1 0 344.436 3.530 20 0 EHADRM CCC[C@@H](NC(=O)Nc1cnc(C)c(C(=O)[O-])c1)c1ccccc1 ZINC001595599654 981573082 /nfs/dbraw/zinc/57/30/82/981573082.db2.gz DOZMGGURXLPBRR-MRXNPFEDSA-N -1 0 327.384 3.751 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3CC4(CCC4)c4ccccc43)(CC1)CC2 ZINC000909730635 981584178 /nfs/dbraw/zinc/58/41/78/981584178.db2.gz XCJIKVFRJKKWAE-UHFFFAOYSA-N -1 0 339.435 3.880 20 0 EHADRM C[C@H](c1ccc(C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)[O-])cc1)C(F)(F)F ZINC000909780011 981617835 /nfs/dbraw/zinc/61/78/35/981617835.db2.gz IQTDZMQXVJYTBJ-JTNHKYCSSA-N -1 0 343.345 3.678 20 0 EHADRM CCCC1(C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC001595615414 981635906 /nfs/dbraw/zinc/63/59/06/981635906.db2.gz PBIOISJSDRSQAY-CABCVRRESA-N -1 0 335.831 3.547 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2CCCc3c(O)cccc32)cc1 ZINC000909833672 981651390 /nfs/dbraw/zinc/65/13/90/981651390.db2.gz OTDVSNPSBVJACW-SJKOYZFVSA-N -1 0 339.391 3.639 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2CCC(=O)c3ccccc32)c1 ZINC000909833709 981651622 /nfs/dbraw/zinc/65/16/22/981651622.db2.gz JEMLQIPTSJMPDJ-YVEFUNNKSA-N -1 0 337.375 3.574 20 0 EHADRM COc1ccc2c(c1)[C@@H](C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1)CC2 ZINC000909835685 981654875 /nfs/dbraw/zinc/65/48/75/981654875.db2.gz IMKSCUAEHCDDBC-PXAZEXFGSA-N -1 0 339.391 3.552 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3occc3s2)[C@H]2CCCC[C@H]12 ZINC000909961643 981715255 /nfs/dbraw/zinc/71/52/55/981715255.db2.gz UXJIBKLAODYDAO-UTUOFQBUSA-N -1 0 333.409 3.600 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cscc2C(F)F)[C@@H]2CCCC[C@H]12 ZINC000909961958 981715274 /nfs/dbraw/zinc/71/52/74/981715274.db2.gz MULFMFWFUAQODE-GIPNMCIBSA-N -1 0 343.395 3.791 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1c(F)ccc(C)c1F)c1ccccc1 ZINC001594767527 981725727 /nfs/dbraw/zinc/72/57/27/981725727.db2.gz HUYSMIDJSZPHKB-CQSZACIVSA-N -1 0 333.334 3.783 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)CC[C@@H]1CCc3ccccc31)C2 ZINC000910068839 981750972 /nfs/dbraw/zinc/75/09/72/981750972.db2.gz KIUVDHYTPIKMKV-INIZCTEOSA-N -1 0 349.430 3.780 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](C)c2ncc(C(=O)[O-])s2)c(Cl)c1C ZINC000910153093 981766905 /nfs/dbraw/zinc/76/69/05/981766905.db2.gz REVOBRPIAFRCED-VIFPVBQESA-N -1 0 338.816 3.603 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12)c1ncc(C(=O)[O-])s1 ZINC000910154178 981767865 /nfs/dbraw/zinc/76/78/65/981767865.db2.gz XACXSKHWNSOTPB-WUHRBBMRSA-N -1 0 336.457 3.625 20 0 EHADRM CCCC[C@H](C(=O)[O-])N1CCN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001595628264 981783402 /nfs/dbraw/zinc/78/34/02/981783402.db2.gz RYCRSYAGIVWJOV-MRXNPFEDSA-N -1 0 348.443 3.892 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)Cc1ccccc1OC(C)C ZINC001594780721 981784890 /nfs/dbraw/zinc/78/48/90/981784890.db2.gz HTVLFTKAIWJHJV-FQEVSTJZSA-N -1 0 347.455 3.508 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)Cc1c[nH]c2c1cccc2C ZINC001594780919 981786434 /nfs/dbraw/zinc/78/64/34/981786434.db2.gz JEOOWXWATPVJOD-FQEVSTJZSA-N -1 0 342.439 3.511 20 0 EHADRM Cc1ccc(NC(=O)c2ccoc2CC(=O)[O-])cc1OCCC(C)C ZINC000910240851 981807302 /nfs/dbraw/zinc/80/73/02/981807302.db2.gz CTVNBPXCUXTLTD-UHFFFAOYSA-N -1 0 345.395 3.892 20 0 EHADRM CCCC[C@H](C)C(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001595631148 981834431 /nfs/dbraw/zinc/83/44/31/981834431.db2.gz DUWZMUCEWXIMLP-LBPRGKRZSA-N -1 0 346.452 3.951 20 0 EHADRM O=C([O-])c1ccc(C(F)(F)F)nc1N1CCC[C@@H]1c1cccnc1 ZINC000910276703 981837512 /nfs/dbraw/zinc/83/75/12/981837512.db2.gz IELHWMPVVPLNDU-GFCCVEGCSA-N -1 0 337.301 3.535 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(-n2cccc2)cc1 ZINC001594790153 981841579 /nfs/dbraw/zinc/84/15/79/981841579.db2.gz CWKJKSCZOORNHX-FQEVSTJZSA-N -1 0 340.423 3.583 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(C)c2c1CCC2 ZINC001594791257 981847706 /nfs/dbraw/zinc/84/77/06/981847706.db2.gz HPIXYDJMWSFQJH-HXUWFJFHSA-N -1 0 329.440 3.589 20 0 EHADRM CC[C@H](Nc1ccc(C(=O)[O-])c(C)n1)c1ccc(OC)c(OC)c1 ZINC000910299854 981855218 /nfs/dbraw/zinc/85/52/18/981855218.db2.gz DQKWYQQHEQPAPO-AWEZNQCLSA-N -1 0 330.384 3.669 20 0 EHADRM CCCC[C@H](CC)CC(=O)Nc1cc(C(=O)OC)ccc1C(=O)[O-] ZINC001595632824 981860626 /nfs/dbraw/zinc/86/06/26/981860626.db2.gz SDGJYDRPLFGZCS-LBPRGKRZSA-N -1 0 335.400 3.716 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(c2cc(C3CC3)nc(C3CC3)n2)C1 ZINC000910312970 981868724 /nfs/dbraw/zinc/86/87/24/981868724.db2.gz ARALLGXFNXNEBA-AWEZNQCLSA-N -1 0 329.444 3.559 20 0 EHADRM CCC(C)(C)[C@H](C)NC(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC001594794400 981870807 /nfs/dbraw/zinc/87/08/07/981870807.db2.gz KUIXVDKMEGYNAC-QWRGUYRKSA-N -1 0 340.395 3.624 20 0 EHADRM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N[C@H](CC(F)F)C(=O)[O-])CC1 ZINC001594796918 981882644 /nfs/dbraw/zinc/88/26/44/981882644.db2.gz QXFAIDYVDWQGNT-YMOZUKEZSA-N -1 0 345.430 3.844 20 0 EHADRM CCCC[C@@H](NC(=O)/C=C/c1ccsc1C(F)(F)F)C(=O)[O-] ZINC001595634245 981884403 /nfs/dbraw/zinc/88/44/03/981884403.db2.gz BTGRJQUEDOXSNB-BRAIEQGRSA-N -1 0 335.347 3.540 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)CC(C)(C)CC(F)(F)F)c1 ZINC000910369172 981900286 /nfs/dbraw/zinc/90/02/86/981900286.db2.gz JYPNSWKYKGYTNN-ZDUSSCGKSA-N -1 0 345.361 3.996 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C3CC3)nc2C)c1 ZINC000910371804 981902380 /nfs/dbraw/zinc/90/23/80/981902380.db2.gz YHFIDFXLVWZUSU-GOSISDBHSA-N -1 0 338.407 3.522 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C3CC3)nc2C)c1 ZINC000910371805 981902457 /nfs/dbraw/zinc/90/24/57/981902457.db2.gz YHFIDFXLVWZUSU-SFHVURJKSA-N -1 0 338.407 3.522 20 0 EHADRM CCCC[C@@H](NC(=O)CCOc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC001595635539 981905523 /nfs/dbraw/zinc/90/55/23/981905523.db2.gz ZTYOFQFMYNYRHR-CYBMUJFWSA-N -1 0 348.226 3.522 20 0 EHADRM CCCC[C@@H](OC(=O)c1cc(Oc2ccccc2)ccn1)C(=O)[O-] ZINC001595644600 981979293 /nfs/dbraw/zinc/97/92/93/981979293.db2.gz HIVOUONZKIJJQV-MRXNPFEDSA-N -1 0 329.352 3.674 20 0 EHADRM CCCC[C@H](S[C@H](C(=O)N1CCCC[C@@H]1C)C(C)C)C(=O)[O-] ZINC001595652766 982036884 /nfs/dbraw/zinc/03/68/84/982036884.db2.gz XLOFGDLEZPWYMN-KKUMJFAQSA-N -1 0 329.506 3.789 20 0 EHADRM CCCC[C@H](S[C@@H]1CCN(c2ccccc2Cl)C1=O)C(=O)[O-] ZINC001595654114 982039983 /nfs/dbraw/zinc/03/99/83/982039983.db2.gz ANSPRBZMRRNGRP-KGLIPLIRSA-N -1 0 341.860 3.822 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1C1CC1 ZINC000910649423 982041363 /nfs/dbraw/zinc/04/13/63/982041363.db2.gz XBTXGTJFFDVXMO-FPMFFAJLSA-N -1 0 333.432 3.561 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)c2ccc(/C=C\C(=O)[O-])o2)c1C1CC1 ZINC000910649763 982041569 /nfs/dbraw/zinc/04/15/69/982041569.db2.gz YMULSOJINHEEHI-DVBBHNHCSA-N -1 0 343.383 3.675 20 0 EHADRM CCc1c(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)cnn1C(CC)CC ZINC000910656630 982044583 /nfs/dbraw/zinc/04/45/83/982044583.db2.gz NEGLTJLWBBHHRI-UHFFFAOYSA-N -1 0 347.459 3.780 20 0 EHADRM CCCc1c(NC(=O)C[C@@H](C)CC(=O)[O-])cnn1-c1ccc(C)cc1 ZINC000910656565 982044622 /nfs/dbraw/zinc/04/46/22/982044622.db2.gz OBTADPYUADVYNN-CQSZACIVSA-N -1 0 343.427 3.573 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)Nc1cccc(C2CC2)n1)C(=O)[O-] ZINC000910666751 982047665 /nfs/dbraw/zinc/04/76/65/982047665.db2.gz IGJSRYRQRKCLIS-NSHDSACASA-N -1 0 342.420 3.777 20 0 EHADRM CC[C@](C)(NC(=O)c1cc(C)cc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001594842724 982064551 /nfs/dbraw/zinc/06/45/51/982064551.db2.gz VHZOXTZIVYEELF-IBGZPJMESA-N -1 0 329.371 3.888 20 0 EHADRM CSc1ccc(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)o1 ZINC000910698363 982068696 /nfs/dbraw/zinc/06/86/96/982068696.db2.gz CJFWEEDELNFJAC-UHFFFAOYSA-N -1 0 326.399 3.532 20 0 EHADRM CCCC[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001595661110 982073973 /nfs/dbraw/zinc/07/39/73/982073973.db2.gz PJJKRHJBXKOKCU-WBMJQRKESA-N -1 0 336.407 3.682 20 0 EHADRM CCCC[C@@H]1CCC[C@H]1NC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001595661156 982074140 /nfs/dbraw/zinc/07/41/40/982074140.db2.gz QBEQIDFKQZJFKI-CRAIPNDOSA-N -1 0 344.455 3.811 20 0 EHADRM CCCCC[C@@H](C(=O)N1CCc2ccc(C(=O)[O-])nc2C1)C(C)C ZINC001595662434 982078711 /nfs/dbraw/zinc/07/87/11/982078711.db2.gz DVJQCCULBOYUCS-OAHLLOKOSA-N -1 0 332.444 3.517 20 0 EHADRM CC[C@@H](C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)c1ccc(F)cc1 ZINC000910734458 982096311 /nfs/dbraw/zinc/09/63/11/982096311.db2.gz ORCSBLSRJXLVOB-GFCCVEGCSA-N -1 0 348.399 3.990 20 0 EHADRM CCCCC[C@](C)(CC)C(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001595666053 982096984 /nfs/dbraw/zinc/09/69/84/982096984.db2.gz DIQMBHFRPFDMPT-DJMKXRNQSA-N -1 0 339.476 3.512 20 0 EHADRM O=C([O-])c1nc(NC(=O)Cc2ccc(Cl)cc2)sc1C1CC1 ZINC000910736186 982099502 /nfs/dbraw/zinc/09/95/02/982099502.db2.gz NAQMVKNXQVVDGK-UHFFFAOYSA-N -1 0 336.800 3.553 20 0 EHADRM O=C([O-])c1nc(NC(=O)[C@@H]2CCCc3sccc32)sc1C1CC1 ZINC000910740639 982101972 /nfs/dbraw/zinc/10/19/72/982101972.db2.gz ABRVEKMOEPEVQG-SNVBAGLBSA-N -1 0 348.449 3.839 20 0 EHADRM CCCCC[C@H](CC)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC001595668929 982112388 /nfs/dbraw/zinc/11/23/88/982112388.db2.gz DSSAVTPRAKGLSH-XQQFMLRXSA-N -1 0 337.382 3.705 20 0 EHADRM CCCCC[C@H](CC)C(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-] ZINC001595669801 982115060 /nfs/dbraw/zinc/11/50/60/982115060.db2.gz JJDCVEBUXJRKOF-LBPRGKRZSA-N -1 0 337.416 3.947 20 0 EHADRM CC(C)(CC(=O)NC1CC(CC(=O)[O-])C1)Cc1ccc(Cl)cc1 ZINC000910807944 982128992 /nfs/dbraw/zinc/12/89/92/982128992.db2.gz KTVMPRSWYSWFDD-UHFFFAOYSA-N -1 0 337.847 3.668 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)NC1CC(CC(=O)[O-])C1 ZINC000910809258 982130300 /nfs/dbraw/zinc/13/03/00/982130300.db2.gz DMHGKUYAVSYJDD-UHFFFAOYSA-N -1 0 333.453 3.728 20 0 EHADRM CCCCC[C@H](NC(=O)Nc1c(C(=O)[O-])cnn1C)c1ccccc1 ZINC001595672592 982135206 /nfs/dbraw/zinc/13/52/06/982135206.db2.gz MXGORSHQRAMFEF-HNNXBMFYSA-N -1 0 344.415 3.561 20 0 EHADRM C[C@@H](CC(=O)NCC(C)(C)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000910820466 982137992 /nfs/dbraw/zinc/13/79/92/982137992.db2.gz AVKUHEZPMFPHLZ-NSHDSACASA-N -1 0 345.361 3.816 20 0 EHADRM CCCCC[C@@H](NC(=O)Cc1coc2cc(C)c(C)cc12)C(=O)[O-] ZINC001595672978 982139468 /nfs/dbraw/zinc/13/94/68/982139468.db2.gz SZEGQMMSIUTWFM-MRXNPFEDSA-N -1 0 331.412 3.742 20 0 EHADRM CC/C(C)=C(/C)C(=O)Oc1ccc(C(=O)[O-])cc1Br ZINC001594861334 982146249 /nfs/dbraw/zinc/14/62/49/982146249.db2.gz XVWGWLJGIHUVCR-HJWRWDBZSA-N -1 0 327.174 3.799 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000910856522 982146209 /nfs/dbraw/zinc/14/62/09/982146209.db2.gz AFGGRNLDQGXLRT-MWLCHTKSSA-N -1 0 335.400 3.532 20 0 EHADRM CCCCC[C@@H](NC(=O)c1c(C)[nH]c2ccc(Cl)cc21)C(=O)[O-] ZINC001595676935 982150279 /nfs/dbraw/zinc/15/02/79/982150279.db2.gz SHLHAHUXZNPZCT-CQSZACIVSA-N -1 0 336.819 3.893 20 0 EHADRM CC(C)(C)OCc1ccccc1NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000910943837 982169715 /nfs/dbraw/zinc/16/97/15/982169715.db2.gz IMBHNZBDVWYDAU-PKNBQFBNSA-N -1 0 343.379 3.945 20 0 EHADRM CC(C)(C)OCc1ccccc1NC(=O)c1cccc(C(=O)[O-])c1 ZINC000910945378 982170676 /nfs/dbraw/zinc/17/06/76/982170676.db2.gz UGXKDFLYCAOBSF-UHFFFAOYSA-N -1 0 327.380 3.952 20 0 EHADRM CCCc1ncc(C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)s1 ZINC000910949954 982173299 /nfs/dbraw/zinc/17/32/99/982173299.db2.gz REBNKXVJRWGJMH-UHFFFAOYSA-N -1 0 336.438 3.768 20 0 EHADRM CCS[C@H](C(=O)Nc1ccc(SC)c(C(=O)[O-])c1)C(C)C ZINC000910949660 982173624 /nfs/dbraw/zinc/17/36/24/982173624.db2.gz NRIPXOULZYYRNN-ZDUSSCGKSA-N -1 0 327.471 3.823 20 0 EHADRM CCCCC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)C(C)(C)C ZINC001595687759 982181433 /nfs/dbraw/zinc/18/14/33/982181433.db2.gz TXYFAOAEQFNTQN-HNNXBMFYSA-N -1 0 341.473 3.658 20 0 EHADRM COc1ccc([C@H](C)NC(=O)c2ccccc2CCC(=O)[O-])cc1C ZINC000910988314 982184183 /nfs/dbraw/zinc/18/41/83/982184183.db2.gz ZNPWVXGLQVRMIM-AWEZNQCLSA-N -1 0 341.407 3.512 20 0 EHADRM CCCCC[C@H](O)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001595690372 982195469 /nfs/dbraw/zinc/19/54/69/982195469.db2.gz JNJDKIPYXIYODC-IRXDYDNUSA-N -1 0 349.471 3.557 20 0 EHADRM CC[C@H](C)[C@@H](C)C(=O)N[C@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001594874703 982203734 /nfs/dbraw/zinc/20/37/34/982203734.db2.gz XNDVEDBBEITXTM-XWCIJXRUSA-N -1 0 325.836 3.524 20 0 EHADRM CCCCCC[C@@H](C)C(=O)N1CCOc2ccccc2[C@H]1C(=O)[O-] ZINC001595694899 982215528 /nfs/dbraw/zinc/21/55/28/982215528.db2.gz KNVAUPWJOQOFAK-PBHICJAKSA-N -1 0 333.428 3.640 20 0 EHADRM Cc1cc(NC(=O)C[C@@H]2CCc3sccc3C2=O)cc(C(=O)[O-])c1 ZINC000911069501 982224060 /nfs/dbraw/zinc/22/40/60/982224060.db2.gz SMIDGYFSLFDSCG-NSHDSACASA-N -1 0 343.404 3.529 20 0 EHADRM CC[C@H](C)[C@@H](C)C(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001594881008 982233370 /nfs/dbraw/zinc/23/33/70/982233370.db2.gz KOPNQEMVHQFBSK-DTWKUNHWSA-N -1 0 328.206 3.768 20 0 EHADRM CCCCCC[C@H](O)CCC(=O)N1CCCc2ccc(C(=O)[O-])cc21 ZINC001595702300 982263321 /nfs/dbraw/zinc/26/33/21/982263321.db2.gz GKKGTWHWHVEAMM-KRWDZBQOSA-N -1 0 347.455 3.776 20 0 EHADRM CCCCCNC(=O)CSCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001595716711 982324711 /nfs/dbraw/zinc/32/47/11/982324711.db2.gz JBKCBLPDVMBSGK-UHFFFAOYSA-N -1 0 329.849 3.578 20 0 EHADRM C[C@@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)CC(C)(C)C ZINC000911328921 982353764 /nfs/dbraw/zinc/35/37/64/982353764.db2.gz WRJABXBKLXZWRV-ZDUSSCGKSA-N -1 0 344.411 3.899 20 0 EHADRM CSCCc1ccc([N-]S(=O)(=O)c2sccc2C)cc1 ZINC000610193956 1014831320 /nfs/dbraw/zinc/83/13/20/1014831320.db2.gz CHFVIUXSMMLGEY-UHFFFAOYSA-N -1 0 327.496 3.763 20 0 EHADRM CCCCN(C(=O)c1cccc(OCC(=O)[O-])c1)[C@@H]1CCC[C@H](C)C1 ZINC001595736175 982383012 /nfs/dbraw/zinc/38/30/12/982383012.db2.gz XSJIYYOXWKVIIO-DOTOQJQBSA-N -1 0 347.455 3.971 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)c1nc(-c2ccccc2)oc1C(C)C)C(=O)[O-] ZINC001594912240 982422117 /nfs/dbraw/zinc/42/21/17/982422117.db2.gz IXJTUYIYNCEHKC-GXTWGEPZSA-N -1 0 344.411 3.694 20 0 EHADRM CCCCN1CCc2ccc(NC(=O)c3cc(C)c(C(=O)[O-])o3)cc21 ZINC001595751109 982432575 /nfs/dbraw/zinc/43/25/75/982432575.db2.gz LJZBUOVOXIQUOT-UHFFFAOYSA-N -1 0 342.395 3.701 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000911451698 982436870 /nfs/dbraw/zinc/43/68/70/982436870.db2.gz FGJOWNPIWSAPOQ-OAHLLOKOSA-N -1 0 347.798 3.928 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N1CC[C@@H](C2CCCC2)C1)C(=O)[O-] ZINC000911496347 982456151 /nfs/dbraw/zinc/45/61/51/982456151.db2.gz GOHCRMMSISTNLK-UKRRQHHQSA-N -1 0 347.480 3.904 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N2CCC[C@@H]2c2ccc(F)cc2F)cc1 ZINC000911546646 982490252 /nfs/dbraw/zinc/49/02/52/982490252.db2.gz VJKMAOONGLQVHP-QGZVFWFLSA-N -1 0 345.345 3.569 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H]2c2ccc(F)cc2F)C1 ZINC000911547450 982490524 /nfs/dbraw/zinc/49/05/24/982490524.db2.gz XLKRLBCHFTVBTO-HWWQOWPSSA-N -1 0 337.366 3.519 20 0 EHADRM C[C@@H]1CCCC[C@H]1C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000911598072 982529933 /nfs/dbraw/zinc/52/99/33/982529933.db2.gz HSZWTTHYIKHIBK-RDTXWAMCSA-N -1 0 344.455 3.614 20 0 EHADRM CCCc1cc(C(=O)N[C@@](C)(CC(=O)[O-])c2ccncc2)sc1C ZINC000911616699 982552308 /nfs/dbraw/zinc/55/23/08/982552308.db2.gz HLJSDIZWPVQFRB-SFHVURJKSA-N -1 0 346.452 3.524 20 0 EHADRM CCCCS[C@@H](C)C(=O)N1CCCc2c(C)ccc(C(=O)[O-])c21 ZINC001595785625 982569980 /nfs/dbraw/zinc/56/99/80/982569980.db2.gz ABTGLPVGPQISMY-ZDUSSCGKSA-N -1 0 335.469 3.894 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)CCC1CCCCCC1)c1ccccn1 ZINC000911624980 982570031 /nfs/dbraw/zinc/57/00/31/982570031.db2.gz QYQCBCXHJNVBSN-IBGZPJMESA-N -1 0 332.444 3.638 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N2CCC[C@H](CC(F)(F)F)C2)cc1 ZINC000911655502 982585424 /nfs/dbraw/zinc/58/54/24/982585424.db2.gz MZBXBDYPWWIQPE-CYBMUJFWSA-N -1 0 343.345 3.508 20 0 EHADRM CCCCS[C@@H](C)C(=O)Oc1cc(/C=C/C(=O)[O-])ccc1OC ZINC001595788858 982585725 /nfs/dbraw/zinc/58/57/25/982585725.db2.gz DQZQNRSBIITHEY-CRALRDPISA-N -1 0 338.425 3.620 20 0 EHADRM CC1(C)CC(C(=O)N[C@@H](CC(=O)[O-])c2ccncc2)CC(C)(C)C1 ZINC000911661177 982591774 /nfs/dbraw/zinc/59/17/74/982591774.db2.gz KSWHRHGWLYZYIG-HNNXBMFYSA-N -1 0 332.444 3.566 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)CCCOc1ccccc1Cl)C(=O)[O-] ZINC001594939519 982610616 /nfs/dbraw/zinc/61/06/16/982610616.db2.gz TYYJVXWHUMCFGW-JSGCOSHPSA-N -1 0 341.835 3.505 20 0 EHADRM CCCCc1nnc(NCc2ccc(-c3ccccc3C(=O)[O-])o2)o1 ZINC001595799461 982613631 /nfs/dbraw/zinc/61/36/31/982613631.db2.gz RTNORZPOOBHAKJ-UHFFFAOYSA-N -1 0 341.367 3.983 20 0 EHADRM CCC[C@H](C(=O)NCc1ccc(C(=O)[O-])cn1)c1cccc(Cl)c1 ZINC000911727821 982614443 /nfs/dbraw/zinc/61/44/43/982614443.db2.gz IMCCJHWQAHJSBK-INIZCTEOSA-N -1 0 346.814 3.633 20 0 EHADRM CCCCn1c(=O)c2ccccc2nc1S[C@@H](CC(C)C)C(=O)[O-] ZINC001595803199 982623035 /nfs/dbraw/zinc/62/30/35/982623035.db2.gz OYKMGEXFXLEYTI-HNNXBMFYSA-N -1 0 348.468 3.788 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)/C=C/c1ccc2ccccc2n1 ZINC000914730669 982657297 /nfs/dbraw/zinc/65/72/97/982657297.db2.gz HFSXOSZDWCWOCO-ZHACJKMWSA-N -1 0 332.359 3.893 20 0 EHADRM CC[C@@H](C)C[C@@H](Nc1nn2cc(C3CCCC3)nc2s1)C(=O)[O-] ZINC001594953428 982680188 /nfs/dbraw/zinc/68/01/88/982680188.db2.gz SGLYXBHRAXMZFG-ZYHUDNBSSA-N -1 0 336.461 3.750 20 0 EHADRM CCCN(C(=O)Nc1ccc(C(=O)[O-])nc1)[C@H]1CCc2ccccc21 ZINC001595822778 982694431 /nfs/dbraw/zinc/69/44/31/982694431.db2.gz NJVPALSTNJZMTM-KRWDZBQOSA-N -1 0 339.395 3.711 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C[C@@H]2CC=CCC2)C[C@H]1c1ccc(Cl)cc1 ZINC000923079829 982710909 /nfs/dbraw/zinc/71/09/09/982710909.db2.gz NFUZLJUDIZCQRH-XOKHGSTOSA-N -1 0 347.842 3.713 20 0 EHADRM CC[C@@H](C)CN(C)C(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001594960995 982713417 /nfs/dbraw/zinc/71/34/17/982713417.db2.gz RZGXSHHETXOXJP-CQSZACIVSA-N -1 0 347.459 3.885 20 0 EHADRM COc1ccc(C(=O)Nc2cc(C(=O)[O-])sc2C)cc1C1CC1 ZINC000923094689 982719521 /nfs/dbraw/zinc/71/95/21/982719521.db2.gz LFQRAOSMTBKRIM-UHFFFAOYSA-N -1 0 331.393 3.893 20 0 EHADRM CC(C)[C@H]1C[C@@H](C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CCO1 ZINC000923105322 982727965 /nfs/dbraw/zinc/72/79/65/982727965.db2.gz RFVZSNPEHBJMMD-SCLBCKFNSA-N -1 0 341.407 3.928 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)nc1C(=O)[O-] ZINC000923107095 982729306 /nfs/dbraw/zinc/72/93/06/982729306.db2.gz MLVQLWMDYKMXOS-FQUUOJAGSA-N -1 0 348.468 3.640 20 0 EHADRM CC[C@H](C)N(CCc1ccccc1F)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001594983627 982787419 /nfs/dbraw/zinc/78/74/19/982787419.db2.gz HUZIEQGBYUHZLH-USXIJHARSA-N -1 0 349.446 3.886 20 0 EHADRM CC[C@H](C)N1C(=O)N[C@@H](c2c(F)cccc2Cl)C(C(=O)[O-])=C1C ZINC001594985092 982796847 /nfs/dbraw/zinc/79/68/47/982796847.db2.gz GLBLCEYEXMPQQM-RMLUDKJBSA-N -1 0 340.782 3.703 20 0 EHADRM CCCN(C[C@@H]1CCCCO1)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001595870527 982853824 /nfs/dbraw/zinc/85/38/24/982853824.db2.gz OHRKAKORMMVRLR-HNNXBMFYSA-N -1 0 334.416 3.506 20 0 EHADRM CCCN(CCC)C(=O)c1ccc(N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001595872676 982859353 /nfs/dbraw/zinc/85/93/53/982859353.db2.gz DKAZMYYBPUNVCM-WBVHZDCISA-N -1 0 332.444 3.614 20 0 EHADRM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2C)cc1 ZINC001116330035 982929292 /nfs/dbraw/zinc/92/92/92/982929292.db2.gz RRYFURORXFZNNQ-LBPRGKRZSA-N -1 0 345.420 3.821 20 0 EHADRM CC(C)(C)n1c2ccccc2nc1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001116507196 982932935 /nfs/dbraw/zinc/93/29/35/982932935.db2.gz HPKJCLPFDZWDJY-QWHCGFSZSA-N -1 0 343.427 3.621 20 0 EHADRM CC[C@H](C)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC001595009885 982937484 /nfs/dbraw/zinc/93/74/84/982937484.db2.gz KXGRDGIUUQZTRT-YVEFUNNKSA-N -1 0 329.371 3.895 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cnn(C3CCCCC3)c2)c1 ZINC001117948286 982940806 /nfs/dbraw/zinc/94/08/06/982940806.db2.gz QYXRQWBFMNZYLT-CYBMUJFWSA-N -1 0 341.411 3.829 20 0 EHADRM CCCN(Cc1ccc(OC)cc1)c1nc(Cl)c(C(=O)[O-])s1 ZINC001595900318 982951170 /nfs/dbraw/zinc/95/11/70/982951170.db2.gz XVLSCVAPIDZOAS-UHFFFAOYSA-N -1 0 340.832 3.920 20 0 EHADRM Cc1oc(CNC(=O)C2(c3ccccc3Cl)CCC2)cc1C(=O)[O-] ZINC001118313916 982951475 /nfs/dbraw/zinc/95/14/75/982951475.db2.gz RVIURXFUMLXPDG-UHFFFAOYSA-N -1 0 347.798 3.678 20 0 EHADRM CC[C@H](C)c1nc(-c2cn([C@H]3CCC[C@H](C(=O)[O-])C3)nn2)cs1 ZINC001595014585 982953730 /nfs/dbraw/zinc/95/37/30/982953730.db2.gz AKKYMUMVZPNDHH-SRVKXCTJSA-N -1 0 334.445 3.731 20 0 EHADRM CCCNc1ccc(Cl)cc1NC(=O)c1ccc(C(=O)[O-])nc1 ZINC001595937130 983082528 /nfs/dbraw/zinc/08/25/28/983082528.db2.gz WKWJTNPXPFZMAA-UHFFFAOYSA-N -1 0 333.775 3.507 20 0 EHADRM CCCOc1c(CNc2cccc(CC(=O)[O-])n2)cccc1OCC ZINC001595947123 983113330 /nfs/dbraw/zinc/11/33/30/983113330.db2.gz HOHCOJYKNXKEGO-UHFFFAOYSA-N -1 0 344.411 3.508 20 0 EHADRM CCCOc1ccc(Cl)cc1C(=O)Nc1cnc(C)c(C(=O)[O-])c1 ZINC001595961642 983161229 /nfs/dbraw/zinc/16/12/29/983161229.db2.gz QNJQRPNTAMKPPS-UHFFFAOYSA-N -1 0 348.786 3.783 20 0 EHADRM CCCOc1cccc(CC(=O)Nc2ccc(C(=O)[O-])cc2CC)c1 ZINC001595969251 983189014 /nfs/dbraw/zinc/18/90/14/983189014.db2.gz OEOCGTHFMYGNAS-UHFFFAOYSA-N -1 0 341.407 3.917 20 0 EHADRM CCCOc1cccc(Cc2nc(-c3ccc(C(=O)[O-])cc3)no2)c1 ZINC001595970088 983194471 /nfs/dbraw/zinc/19/44/71/983194471.db2.gz WPJVSJWOSDYEFY-UHFFFAOYSA-N -1 0 338.363 3.814 20 0 EHADRM CCCOc1nc(C)ccc1C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC001595975437 983210960 /nfs/dbraw/zinc/21/09/60/983210960.db2.gz YYMPHAZABKDAAD-CYBMUJFWSA-N -1 0 342.395 3.619 20 0 EHADRM CCC[C@@H]1C[C@H]1C(=O)Nc1cc(Br)ccc1C(=O)[O-] ZINC001596007178 983262357 /nfs/dbraw/zinc/26/23/57/983262357.db2.gz CXGBJESKMVXOSU-LDYMZIIASA-N -1 0 326.190 3.522 20 0 EHADRM CCCc1c(C(=O)Nc2cnc3ccccc3c2)[nH]c(C)c1C(=O)[O-] ZINC001596046556 983338282 /nfs/dbraw/zinc/33/82/82/983338282.db2.gz AYQXLMLCADAXRT-UHFFFAOYSA-N -1 0 337.379 3.774 20 0 EHADRM CCCc1c(C(=O)OCc2cccc(C(=O)[O-])c2)[nH]c(C)c1C(C)=O ZINC001596048060 983343542 /nfs/dbraw/zinc/34/35/42/983343542.db2.gz AJMNHAVYXXWTEZ-UHFFFAOYSA-N -1 0 343.379 3.533 20 0 EHADRM CCCc1cc(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)ccc1Cl ZINC001596052618 983352872 /nfs/dbraw/zinc/35/28/72/983352872.db2.gz FMMZDMNMNSBSAB-INIZCTEOSA-N -1 0 349.789 3.987 20 0 EHADRM CCCc1cc(C(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)no1 ZINC001596055604 983359096 /nfs/dbraw/zinc/35/90/96/983359096.db2.gz TVMZUEXCSLRERS-AWEZNQCLSA-N -1 0 336.432 3.561 20 0 EHADRM CCCc1cc(C(=O)NCCc2ccccc2C(=O)[O-])ccc1Cl ZINC001596055658 983359423 /nfs/dbraw/zinc/35/94/23/983359423.db2.gz VYLAGKBTVWJBAP-UHFFFAOYSA-N -1 0 345.826 3.963 20 0 EHADRM CCCc1ccc(C(=O)CCC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001596060690 983369887 /nfs/dbraw/zinc/36/98/87/983369887.db2.gz PUCVFXVSVNOPDK-UHFFFAOYSA-N -1 0 339.391 3.939 20 0 EHADRM CCCc1nc(C(=O)Nc2cc(C(=O)[O-])cc(Cl)c2Cl)co1 ZINC001596077903 983394753 /nfs/dbraw/zinc/39/47/53/983394753.db2.gz UBHMXOAKHGEQMI-UHFFFAOYSA-N -1 0 343.166 3.884 20 0 EHADRM CCCn1c(C(=O)NCC2(CC(=O)[O-])CCCC2)cc2ccccc21 ZINC001596108127 983433309 /nfs/dbraw/zinc/43/33/09/983433309.db2.gz PSNZMLXRWBHZRI-UHFFFAOYSA-N -1 0 342.439 3.816 20 0 EHADRM CCCn1c(C)nnc1CSCc1cccc(C(=O)[O-])c1Cl ZINC001596108714 983435325 /nfs/dbraw/zinc/43/53/25/983435325.db2.gz LYOMKYDROKOWHU-UHFFFAOYSA-N -1 0 339.848 3.782 20 0 EHADRM CCCn1cc(NCc2ccc(-c3ccccc3C(=O)[O-])o2)cn1 ZINC001596115679 983445386 /nfs/dbraw/zinc/44/53/86/983445386.db2.gz GDTSWXGZAADEIJ-UHFFFAOYSA-N -1 0 325.368 3.863 20 0 EHADRM CCCn1ccc2ccc(NC(=O)N[C@H]3CC[C@@H](CC(=O)[O-])C3)cc21 ZINC001596116269 983447179 /nfs/dbraw/zinc/44/71/79/983447179.db2.gz ZEIAZPSJQXFRQV-HIFRSBDPSA-N -1 0 343.427 3.816 20 0 EHADRM CCN(C(=O)/C=C(/C)c1ccccc1OC)c1ccccc1C(=O)[O-] ZINC001596138565 983489506 /nfs/dbraw/zinc/48/95/06/983489506.db2.gz UNMYRWIHDUEEDY-YPKPFQOOSA-N -1 0 339.391 3.850 20 0 EHADRM CCN(C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1)C1CC(C)(C)C1 ZINC001596159101 983523013 /nfs/dbraw/zinc/52/30/13/983523013.db2.gz XLAZVGXBZDQRMH-UHFFFAOYSA-N -1 0 329.400 3.909 20 0 EHADRM CCN(C(=O)c1cccc2c1OCC2(C)C)c1ccccc1C(=O)[O-] ZINC001596171119 983536802 /nfs/dbraw/zinc/53/68/02/983536802.db2.gz VMWULSJDQSQBFE-UHFFFAOYSA-N -1 0 339.391 3.722 20 0 EHADRM CCN(CC(C)(C)C)C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC001596228721 983620376 /nfs/dbraw/zinc/62/03/76/983620376.db2.gz QRNQRSPWHOBEPQ-NSHDSACASA-N -1 0 340.395 3.578 20 0 EHADRM CCN(CC)[C@@H](C(=O)O[C@@H](C)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC001596254016 983660206 /nfs/dbraw/zinc/66/02/06/983660206.db2.gz WUOUUASXGZWWMA-SUMWQHHRSA-N -1 0 345.395 3.665 20 0 EHADRM CCN(CC)c1ccc(C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001596288975 983708688 /nfs/dbraw/zinc/70/86/88/983708688.db2.gz AJGZHURFYVDAGD-GOSISDBHSA-N -1 0 346.471 3.544 20 0 EHADRM CCN(Cc1ccc2ccccc2c1)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001596364684 983851171 /nfs/dbraw/zinc/85/11/71/983851171.db2.gz XMDZMDKXNASDHP-UHFFFAOYSA-N -1 0 349.390 3.987 20 0 EHADRM CCN(Cc1cccs1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001596375237 983883284 /nfs/dbraw/zinc/88/32/84/983883284.db2.gz QJLUEUWHOFXPCN-UHFFFAOYSA-N -1 0 336.388 3.948 20 0 EHADRM CCN(Cc1ccoc1)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001596377772 983889487 /nfs/dbraw/zinc/88/94/87/983889487.db2.gz GOAIGKNSCMZLBJ-JKSUJKDBSA-N -1 0 328.368 3.522 20 0 EHADRM C[C@@H](CCC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1)c1ccccc1 ZINC000119260735 1015012184 /nfs/dbraw/zinc/01/21/84/1015012184.db2.gz AWGYYJMZDPTXNZ-ZDUSSCGKSA-N -1 0 337.379 3.552 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccnn2C2CCCCC2)s1 ZINC000066248245 1015029762 /nfs/dbraw/zinc/02/97/62/1015029762.db2.gz DEZZUUREZIHUFI-UHFFFAOYSA-N -1 0 325.459 3.559 20 0 EHADRM CCOC(=O)C1CCC(SCc2cc(C(=O)[O-])cs2)CC1 ZINC001596570167 984463204 /nfs/dbraw/zinc/46/32/04/984463204.db2.gz LJUFDZJONUHDGB-UHFFFAOYSA-N -1 0 328.455 3.801 20 0 EHADRM C/C(=C/C(=O)N(CCC(=O)[O-])Cc1ccccc1)c1cccs1 ZINC001588932499 984608846 /nfs/dbraw/zinc/60/88/46/984608846.db2.gz FTPOWWJEFZYCRA-OWBHPGMISA-N -1 0 329.421 3.655 20 0 EHADRM C/C(=C\C(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-])c1ccccc1C ZINC001588933331 984612273 /nfs/dbraw/zinc/61/22/73/984612273.db2.gz RASLFFCWBKCTPE-HJUDDPQBSA-N -1 0 337.419 3.900 20 0 EHADRM C/C(=C\C(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F)c1ccccc1C ZINC001588939083 984626867 /nfs/dbraw/zinc/62/68/67/984626867.db2.gz LDDDWOIJMHSVSX-ZPHJMFTNSA-N -1 0 345.345 3.619 20 0 EHADRM C/C(=C\C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1)c1ccco1 ZINC001588939653 984630707 /nfs/dbraw/zinc/63/07/07/984630707.db2.gz ZKLHWOUGXHPRBX-ZHZWZMEUSA-N -1 0 333.771 3.669 20 0 EHADRM C/C(=C\C(=O)NCc1ccccc1C(=O)[O-])c1cccc(Cl)c1 ZINC001588942604 984637378 /nfs/dbraw/zinc/63/73/78/984637378.db2.gz NSWRXKBGQRWHQC-FMIVXFBMSA-N -1 0 329.783 3.758 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)Nc1c2ccccc2[nH]c1-c1ccccc1 ZINC001599887700 984656473 /nfs/dbraw/zinc/65/64/73/984656473.db2.gz SBRLSZUHWFJJGD-GFCCVEGCSA-N -1 0 337.379 3.820 20 0 EHADRM CCOC(=O)N1CCC(Nc2ccc3sc(C(=O)[O-])cc3c2)CC1 ZINC001596647173 984663212 /nfs/dbraw/zinc/66/32/12/984663212.db2.gz UIVFUXDPHKNJDM-UHFFFAOYSA-N -1 0 348.424 3.632 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)c1c(F)cccc1Sc1ccccc1 ZINC001599888432 984665357 /nfs/dbraw/zinc/66/53/57/984665357.db2.gz TYMGQGLMZMRUOV-LLVKDONJSA-N -1 0 333.384 3.570 20 0 EHADRM C[C@H](CC(=O)[O-])OC(=O)CSCc1ccc(Cl)cc1Cl ZINC001599890218 984684570 /nfs/dbraw/zinc/68/45/70/984684570.db2.gz JVLXCUMPVURANQ-MRVPVSSYSA-N -1 0 337.224 3.633 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)N1C[C@@H](C(=O)[O-])Cc2ccccc21 ZINC001588995470 984924369 /nfs/dbraw/zinc/92/43/69/984924369.db2.gz KUQAROWKJOBLKL-OTMARIDSSA-N -1 0 335.403 3.688 20 0 EHADRM C[C@H]1CC[C@@](C)(C(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)C1(C)C ZINC001599906606 984930273 /nfs/dbraw/zinc/93/02/73/984930273.db2.gz FZSNQZDLBSUMJS-JHVJFLLYSA-N -1 0 343.467 3.704 20 0 EHADRM C[C@H](OC(=O)c1ncsc1C(F)(F)F)c1ccc(C(=O)[O-])cc1 ZINC001599906672 984931484 /nfs/dbraw/zinc/93/14/84/984931484.db2.gz SHGUJFAZHFIXEX-ZETCQYMHSA-N -1 0 345.298 3.778 20 0 EHADRM C[C@H](OC(=O)c1cnc([C@@H]2CCCO2)s1)c1ccc(C(=O)[O-])cc1 ZINC001599906652 984931672 /nfs/dbraw/zinc/93/16/72/984931672.db2.gz QZGGDDRWHBGSOR-GWCFXTLKSA-N -1 0 347.392 3.611 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001588999452 984937351 /nfs/dbraw/zinc/93/73/51/984937351.db2.gz VJIYTLDPHVOLSX-IVOILVROSA-N -1 0 333.403 3.626 20 0 EHADRM C/C(=C/c1cccnc1)C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC001589010230 984976234 /nfs/dbraw/zinc/97/62/34/984976234.db2.gz GHUPNDLIAAPHPX-NTMALXAHSA-N -1 0 345.424 3.576 20 0 EHADRM C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)C[C@]1(C)C(=O)[O-] ZINC001599913793 985024187 /nfs/dbraw/zinc/02/41/87/985024187.db2.gz IVXRVZWTPIPWMS-SALMDCRWSA-N -1 0 337.419 3.513 20 0 EHADRM CCOC(=O)c1sc(S[C@@H](C(=O)[O-])c2ccccc2)nc1C ZINC001596761060 985149435 /nfs/dbraw/zinc/14/94/35/985149435.db2.gz NFSRXYVBVAPIKG-GFCCVEGCSA-N -1 0 337.422 3.546 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccccc2-c2cccs2)C[C@]1(C)C(=O)[O-] ZINC001599922845 985160695 /nfs/dbraw/zinc/16/06/95/985160695.db2.gz FBSQYPUXABSIOI-SGTLLEGYSA-N -1 0 344.436 3.990 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(C(C)(C)C)c(Cl)c2)CC[C@H]1C(=O)[O-] ZINC001599925804 985197967 /nfs/dbraw/zinc/19/79/67/985197967.db2.gz RWFZHRIMFANUBW-WCQYABFASA-N -1 0 337.847 3.820 20 0 EHADRM CCO[C@H](c1noc(/C=C\c2cc(C(=O)[O-])co2)n1)C1CCCC1 ZINC001596789622 985259555 /nfs/dbraw/zinc/25/95/55/985259555.db2.gz FICPCZVJURKVNE-LZNQSLFOSA-N -1 0 332.356 3.799 20 0 EHADRM CCO[C@@H](CNC(=O)Nc1cc(C(=O)[O-])ccc1C)c1ccccc1 ZINC001596791219 985274064 /nfs/dbraw/zinc/27/40/64/985274064.db2.gz PPFDZTPADHQUMU-KRWDZBQOSA-N -1 0 342.395 3.593 20 0 EHADRM CCO[C@H](c1noc(Cc2ccc(C(=O)[O-])cc2)n1)C1CCCC1 ZINC001596791346 985274371 /nfs/dbraw/zinc/27/43/71/985274371.db2.gz SWSWQCGCLFRIDS-INIZCTEOSA-N -1 0 330.384 3.626 20 0 EHADRM C[C@]1(C(=O)Nc2cc(C(=O)[O-])cnc2Cl)C[C@@H]1c1ccccc1 ZINC001599937980 985419437 /nfs/dbraw/zinc/41/94/37/985419437.db2.gz SERXMLKHIIBYNX-PXAZEXFGSA-N -1 0 330.771 3.566 20 0 EHADRM C[C@]12CN(C(=O)Nc3ccc(C(=O)[O-])c(Cl)c3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001599938412 985424793 /nfs/dbraw/zinc/42/47/93/985424793.db2.gz RJWZRUSGYXOJFO-UCZOEHHZSA-N -1 0 346.814 3.714 20 0 EHADRM CC[C@H](C)c1nc(C)c(CC(=O)Nc2ccc(F)c(F)c2[O-])c(C)n1 ZINC000655140951 1015130465 /nfs/dbraw/zinc/13/04/65/1015130465.db2.gz DRJGIQCOYPIJFT-VIFPVBQESA-N -1 0 349.381 3.772 20 0 EHADRM Cc1[nH]c(C(=O)CSCc2c(F)cccc2F)c(C)c1C(=O)[O-] ZINC001599949779 985588351 /nfs/dbraw/zinc/58/83/51/985588351.db2.gz UDEPLFRGWLQGPH-UHFFFAOYSA-N -1 0 339.363 3.724 20 0 EHADRM Cc1[nH]c(C(=O)N[C@@H](C)c2cccc(C3CC3)c2)c(C)c1C(=O)[O-] ZINC001599953196 985645386 /nfs/dbraw/zinc/64/53/86/985645386.db2.gz RSJKRAJXPKIORS-NSHDSACASA-N -1 0 326.396 3.698 20 0 EHADRM Cc1[nH]c(C(=O)N[C@H](C)c2ccc(Cl)s2)c(C)c1C(=O)[O-] ZINC001599953783 985653752 /nfs/dbraw/zinc/65/37/52/985653752.db2.gz KWMHGYNAOGBBKN-SSDOTTSWSA-N -1 0 326.805 3.536 20 0 EHADRM Cc1[nH]c(C(=O)Nc2c3c(cc4c2CCC4)CCC3)c(C)c1C(=O)[O-] ZINC001599953767 985653794 /nfs/dbraw/zinc/65/37/94/985653794.db2.gz KAOMEKGDYASOBM-UHFFFAOYSA-N -1 0 338.407 3.559 20 0 EHADRM Cc1[nH]c(C(=O)Nc2nc(-c3cccs3)cs2)c(C)c1C(=O)[O-] ZINC001599956232 985694707 /nfs/dbraw/zinc/69/47/07/985694707.db2.gz NNCRLXFOUADSCV-UHFFFAOYSA-N -1 0 347.421 3.767 20 0 EHADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)COc1ccc(Cl)c(Cl)c1 ZINC001599961491 985790198 /nfs/dbraw/zinc/79/01/98/985790198.db2.gz SOSDFEZCZCBSMS-UHFFFAOYSA-N -1 0 328.151 3.590 20 0 EHADRM Cc1[nH]c(CN(Cc2ccco2)Cc2ccc(O)cc2)cc1C(=O)[O-] ZINC001599963050 985833247 /nfs/dbraw/zinc/83/32/47/985833247.db2.gz VLEGZGZOJWHABC-UHFFFAOYSA-N -1 0 340.379 3.522 20 0 EHADRM CC(=O)c1cc(Br)cc(Cl)c1OC/C(C)=C\C(=O)[O-] ZINC001589253881 985880869 /nfs/dbraw/zinc/88/08/69/985880869.db2.gz ZBEJESNKDZTVOH-CLTKARDFSA-N -1 0 347.592 3.715 20 0 EHADRM Cc1[nH]c2ccc(CNC(=O)Nc3cc(C(=O)[O-])cs3)cc2c1C ZINC001599965301 985891912 /nfs/dbraw/zinc/89/19/12/985891912.db2.gz WQJMGKFJUAGSER-UHFFFAOYSA-N -1 0 343.408 3.866 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])[nH]c1NC(=O)C(C)=Cc1cccc(Cl)c1 ZINC001589261339 985922190 /nfs/dbraw/zinc/92/21/90/985922190.db2.gz HCLHAGYFXCEYRK-RMKNXTFCSA-N -1 0 346.770 3.611 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)c1cc(C)nc2ccccc21 ZINC001589267144 985944111 /nfs/dbraw/zinc/94/41/11/985944111.db2.gz VUPBPMBAKLTEMQ-UHFFFAOYSA-N -1 0 349.342 3.663 20 0 EHADRM CC(=O)c1cc(Cl)c(Cl)cc1OCc1cccc(C(=O)[O-])n1 ZINC001589267556 985945938 /nfs/dbraw/zinc/94/59/38/985945938.db2.gz DBTNMJHYRXZJGM-UHFFFAOYSA-N -1 0 340.162 3.868 20 0 EHADRM CC(=O)c1cc(F)ccc1N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC001589271233 985970802 /nfs/dbraw/zinc/97/08/02/985970802.db2.gz TXAQRWJKRGHNEU-UHFFFAOYSA-N -1 0 348.399 3.567 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2C(=O)[O-])o1 ZINC001589277166 985992403 /nfs/dbraw/zinc/99/24/03/985992403.db2.gz FPXPXLNGQFQDTJ-UHFFFAOYSA-N -1 0 342.134 3.740 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c(F)c1 ZINC001589277725 985997362 /nfs/dbraw/zinc/99/73/62/985997362.db2.gz XUYOCFLZWKRSLJ-UHFFFAOYSA-N -1 0 329.327 3.596 20 0 EHADRM CC(=O)c1ccc(NC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1C ZINC001589290693 986028875 /nfs/dbraw/zinc/02/88/75/986028875.db2.gz XKZJJZADFXQAOG-UHFFFAOYSA-N -1 0 331.755 3.802 20 0 EHADRM Cc1c(Br)cccc1C(=O)Oc1ccc(C(=O)[O-])cc1 ZINC001599972445 986029773 /nfs/dbraw/zinc/02/97/73/986029773.db2.gz NQDULQFPGVAHDT-UHFFFAOYSA-N -1 0 335.153 3.675 20 0 EHADRM CC(=O)c1ccc(OCCOc2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC001589297345 986040498 /nfs/dbraw/zinc/04/04/98/986040498.db2.gz MSVQIVDDWNZSKR-UHFFFAOYSA-N -1 0 334.755 3.699 20 0 EHADRM CC(=O)c1cccc(C(=O)Nc2c(C(=O)[O-])ccc3ccccc32)c1 ZINC001589306624 986074575 /nfs/dbraw/zinc/07/45/75/986074575.db2.gz YSHYNBFEOPMDEU-UHFFFAOYSA-N -1 0 333.343 3.993 20 0 EHADRM CC(=O)c1nn(C(C)C)c(C)c1OCc1ccc(C)c(C(=O)[O-])c1 ZINC001589322297 986130022 /nfs/dbraw/zinc/13/00/22/986130022.db2.gz ANEXSUJMUJHLTP-UHFFFAOYSA-N -1 0 330.384 3.561 20 0 EHADRM CCOCc1nc(Cl)cc(SCc2ccccc2C(=O)[O-])n1 ZINC001596956474 986135478 /nfs/dbraw/zinc/13/54/78/986135478.db2.gz OSPILHXUIBGUPD-UHFFFAOYSA-N -1 0 338.816 3.657 20 0 EHADRM C[C@H]1CN(Cc2ccc(C(=O)[O-])cc2Br)CCC1(F)F ZINC001594538323 986166621 /nfs/dbraw/zinc/16/66/21/986166621.db2.gz MJBXDJGLZJKQPN-VIFPVBQESA-N -1 0 348.187 3.624 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)NCc1ccccc1C(=O)[O-] ZINC001599981434 986168664 /nfs/dbraw/zinc/16/86/64/986168664.db2.gz JCPQKSAGWFYPBU-UHFFFAOYSA-N -1 0 343.379 3.977 20 0 EHADRM C[C@H]1CN(Cc2nc(C(=O)[O-])cs2)CCc2ccc(Cl)cc21 ZINC001594547298 986223924 /nfs/dbraw/zinc/22/39/24/986223924.db2.gz HROGYYHXDQLNBV-JTQLQIEISA-N -1 0 336.844 3.657 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)[C@H]3CC3(C)C)ccc2n1C1CC1 ZINC001599986365 986230814 /nfs/dbraw/zinc/23/08/14/986230814.db2.gz YZFZOPDARZKCGC-CQSZACIVSA-N -1 0 327.380 3.934 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N(CC)CCC(F)(F)F ZINC001597016043 986374343 /nfs/dbraw/zinc/37/43/43/986374343.db2.gz YGUUPSRETGLMJN-UHFFFAOYSA-N -1 0 348.321 3.590 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)CCc1cccc(F)c1F ZINC001597016337 986378653 /nfs/dbraw/zinc/37/86/53/986378653.db2.gz XEIFYTIGEYAARU-UHFFFAOYSA-N -1 0 349.333 3.633 20 0 EHADRM C[C@@H](C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1ccc(Cl)c(Cl)c1 ZINC001589364555 986385310 /nfs/dbraw/zinc/38/53/10/986385310.db2.gz IVNWGDVXEWJPFA-HOSYDEDBSA-N -1 0 344.238 3.666 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1cc2ccsc2[nH]1 ZINC001597026165 986433116 /nfs/dbraw/zinc/43/31/16/986433116.db2.gz RQMIRRBAXUBUAN-UHFFFAOYSA-N -1 0 330.365 3.579 20 0 EHADRM CC(C(=O)N[C@H](C[C@H]1CCCc2ccccc21)C(=O)[O-])=C1CCC1 ZINC001589386431 986486345 /nfs/dbraw/zinc/48/63/45/986486345.db2.gz XEDZKBPJVRRCBH-SJLPKXTDSA-N -1 0 327.424 3.566 20 0 EHADRM C[C@@H](C(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1)c1cccc(Cl)c1 ZINC001589386818 986489535 /nfs/dbraw/zinc/48/95/35/986489535.db2.gz CATKLSQHBCTIPY-XIKOKIGWSA-N -1 0 337.847 3.983 20 0 EHADRM CCOc1cc(NC(=O)Nc2cccc(CC(=O)[O-])c2)ccc1C ZINC001597043008 986497415 /nfs/dbraw/zinc/49/74/15/986497415.db2.gz HVNGZPYDJGZNIC-UHFFFAOYSA-N -1 0 328.368 3.665 20 0 EHADRM CCOc1ccc(-c2nc(C)c(C(=O)O[C@H](C)CC(=O)[O-])s2)cc1 ZINC001597049282 986519186 /nfs/dbraw/zinc/51/91/86/986519186.db2.gz IFGPIBAPNQGSDV-SNVBAGLBSA-N -1 0 349.408 3.537 20 0 EHADRM CCOc1ccc(-c2nc(C)c(C(=O)OCCCC(=O)[O-])s2)cc1 ZINC001597049363 986520378 /nfs/dbraw/zinc/52/03/78/986520378.db2.gz NPJCGAZQJZTKJG-UHFFFAOYSA-N -1 0 349.408 3.539 20 0 EHADRM C[C@H]1Cc2cccc(F)c2N(C(=O)CCc2ccccc2C(=O)[O-])C1 ZINC001594619186 986647629 /nfs/dbraw/zinc/64/76/29/986647629.db2.gz AUWNWWHQPIKTNY-ZDUSSCGKSA-N -1 0 341.382 3.682 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc(Br)cc1Cl ZINC000263530355 1125496792 /nfs/dbraw/zinc/49/67/92/1125496792.db2.gz WDFZDLBVCSOUPP-ONGXEEELSA-N -1 0 346.652 3.788 20 0 EHADRM C[C@H](C(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1c(F)cccc1F ZINC001589430376 986717452 /nfs/dbraw/zinc/71/74/52/986717452.db2.gz RVRIWHCUROHJQQ-ZETCQYMHSA-N -1 0 341.260 3.683 20 0 EHADRM CC(C(=O)Nc1ccc(Br)c(C(=O)[O-])c1C)=C1CCC1 ZINC001589431603 986729171 /nfs/dbraw/zinc/72/91/71/986729171.db2.gz HFTHQOUMBYZSKE-UHFFFAOYSA-N -1 0 338.201 3.895 20 0 EHADRM CCOc1ccc(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(C)cc2)cc1 ZINC001597119669 986807350 /nfs/dbraw/zinc/80/73/50/986807350.db2.gz YNTGPRPWBJOQGV-KRWDZBQOSA-N -1 0 342.395 3.731 20 0 EHADRM CCOc1ccc(NC2CC(CC(=O)[O-])C2)cc1Br ZINC001597123072 986822742 /nfs/dbraw/zinc/82/27/42/986822742.db2.gz KOTUGBXLWMWJEY-UHFFFAOYSA-N -1 0 328.206 3.513 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)[C@@H](F)CC1CCCCC1)c1ccccc1 ZINC001589455302 986894263 /nfs/dbraw/zinc/89/42/63/986894263.db2.gz XQLYGRFLZXMOCH-JQFCIGGWSA-N -1 0 335.419 3.873 20 0 EHADRM CCOc1ccc2ccccc2c1COC(=O)c1cc(C(=O)[O-])co1 ZINC001597144207 986903450 /nfs/dbraw/zinc/90/34/50/986903450.db2.gz RYBBBRCJWPYULW-UHFFFAOYSA-N -1 0 340.331 3.887 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)Nc1cccc(C2CC2)n1)c1ccccc1 ZINC001589458723 986904133 /nfs/dbraw/zinc/90/41/33/986904133.db2.gz QRCKOCDOMKGOQJ-SJCJKPOMSA-N -1 0 339.395 3.543 20 0 EHADRM CCOc1cccc(C(=O)Nc2ccc(OC(C)C)cc2C(=O)[O-])c1 ZINC001597145666 986907411 /nfs/dbraw/zinc/90/74/11/986907411.db2.gz KRPRBVGIBGSRHP-UHFFFAOYSA-N -1 0 343.379 3.823 20 0 EHADRM CCOc1cccc([C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])cc2C)c1 ZINC001597149892 986922807 /nfs/dbraw/zinc/92/28/07/986922807.db2.gz MPJLKZFTRSOLFQ-CYBMUJFWSA-N -1 0 342.395 3.975 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NCc1cc(-c2ccccc2)on1)c1ccccc1 ZINC001589468786 986934255 /nfs/dbraw/zinc/93/42/55/986934255.db2.gz MSLGWTFTMMFYHL-KUHUBIRLSA-N -1 0 336.391 3.893 20 0 EHADRM CCOc1cccc(Cl)c1CN1CCc2ccc(C(=O)[O-])cc21 ZINC001597155850 986954838 /nfs/dbraw/zinc/95/48/38/986954838.db2.gz STGHLZDFIUTPTR-UHFFFAOYSA-N -1 0 331.799 4.000 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)c1ccc(CCC(F)(F)F)cc1)C1CCC1 ZINC001589477454 986984369 /nfs/dbraw/zinc/98/43/69/986984369.db2.gz RTOFJUFFOMRKJJ-LLVKDONJSA-N -1 0 343.345 3.649 20 0 EHADRM C/C=C(/CC)C(=O)O[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001594677074 987012103 /nfs/dbraw/zinc/01/21/03/987012103.db2.gz VKLIAKMVSBMTGB-BXVXIVLCSA-N -1 0 330.302 3.601 20 0 EHADRM CCOc1ccccc1CCC(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC001597173888 987022742 /nfs/dbraw/zinc/02/27/42/987022742.db2.gz VKDNGXUBLZEPAV-GFCCVEGCSA-N -1 0 332.352 3.614 20 0 EHADRM C/C=C/C=C/C(=O)OCc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001594685336 987054260 /nfs/dbraw/zinc/05/42/60/987054260.db2.gz XFAZCQWZRLVQEQ-MQQKCMAXSA-N -1 0 329.377 3.684 20 0 EHADRM C/C=C\C[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])cc2N(C)C)C1 ZINC001594685581 987055041 /nfs/dbraw/zinc/05/50/41/987055041.db2.gz FQFRHHLIKOVRAQ-ZRUQZJFASA-N -1 0 345.443 3.661 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CCC[C@@]3(CCSC3)C2)cc1 ZINC001589508250 987128087 /nfs/dbraw/zinc/12/80/87/987128087.db2.gz IXDROXJGROIUFA-FZKQIMNGSA-N -1 0 348.468 3.626 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N[C@@H](CF)c2ccc(F)cc2)cc1 ZINC001589508451 987128965 /nfs/dbraw/zinc/12/89/65/987128965.db2.gz KBVJGFAPDYBVMB-BZNIZROVSA-N -1 0 348.349 3.846 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NCc2cscc2Cl)cc1 ZINC001589513010 987153666 /nfs/dbraw/zinc/15/36/66/987153666.db2.gz XHVWTHXUPMPYFF-SECBINFHSA-N -1 0 338.816 3.911 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NCC2(c3ccccc3)CC2)cc1 ZINC001589513787 987160510 /nfs/dbraw/zinc/16/05/10/987160510.db2.gz XUUZDVAFIWXEKN-CQSZACIVSA-N -1 0 338.407 3.728 20 0 EHADRM CCC(=O)c1cc(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)ccc1F ZINC001594717871 987197284 /nfs/dbraw/zinc/19/72/84/987197284.db2.gz LTHNSLZWNUGMJV-VIFPVBQESA-N -1 0 334.299 3.628 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)CCc2ccc3ccccc3n2)c1 ZINC001589532098 987210786 /nfs/dbraw/zinc/21/07/86/987210786.db2.gz AVCOECRJXWQEAU-AWEZNQCLSA-N -1 0 348.402 3.994 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2ccc(-c3cnn(C)c3)cc2)c1 ZINC001589533304 987225317 /nfs/dbraw/zinc/22/53/17/987225317.db2.gz ZWAWRBKAOGVNSC-CYBMUJFWSA-N -1 0 349.390 3.528 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)Nc2ccccc2OCCF)c1 ZINC001589533753 987228561 /nfs/dbraw/zinc/22/85/61/987228561.db2.gz SEXHDRBMBXVDLV-LBPRGKRZSA-N -1 0 346.358 3.867 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NCc2noc(C3CCCCC3)n2)c1 ZINC001589540305 987242307 /nfs/dbraw/zinc/24/23/07/987242307.db2.gz ULMNALOXRFTEGD-LBPRGKRZSA-N -1 0 329.400 3.918 20 0 EHADRM CC[C@H](C(=O)N[C@](C)(CC(=O)[O-])c1ccccn1)C1CCC(C)CC1 ZINC001594729489 987242916 /nfs/dbraw/zinc/24/29/16/987242916.db2.gz RZPKTULMDDWEFH-SAONEMICSA-N -1 0 346.471 3.740 20 0 EHADRM C[C@H](C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1)C(C)(F)F ZINC001589540482 987244082 /nfs/dbraw/zinc/24/40/82/987244082.db2.gz KSOATYMTKBWPRN-LDWIPMOCSA-N -1 0 341.137 3.954 20 0 EHADRM CC[C@H](C(=O)N[C@H](CC(=O)[O-])c1cccc(C)c1)c1ccc(F)cc1 ZINC001594730131 987248593 /nfs/dbraw/zinc/24/85/93/987248593.db2.gz ZVJGEPJBWVLPRO-ZWKOTPCHSA-N -1 0 343.398 3.960 20 0 EHADRM CC[C@@H](C(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1)C1CCC(C)CC1 ZINC001594730608 987251823 /nfs/dbraw/zinc/25/18/23/987251823.db2.gz WQZKOJQVTINOHB-UXTNIJRTSA-N -1 0 349.393 3.705 20 0 EHADRM CCS[C@@H]1CCCCN(C(=O)Nc2ccc(C(=O)[O-])s2)C1 ZINC001597258195 987266280 /nfs/dbraw/zinc/26/62/80/987266280.db2.gz HIRBFRYKZLWXFZ-SNVBAGLBSA-N -1 0 328.459 3.586 20 0 EHADRM CCSCC[C@@H](C)N(C)C(=O)Nc1scc(C)c1C(=O)[O-] ZINC001597259060 987276828 /nfs/dbraw/zinc/27/68/28/987276828.db2.gz DUDREPAZUOMGDA-SNVBAGLBSA-N -1 0 330.475 3.750 20 0 EHADRM C[C@H](C(=O)OCC(=O)c1ccc(C(=O)[O-])cc1)c1cccc(Cl)c1 ZINC001589548563 987277271 /nfs/dbraw/zinc/27/72/71/987277271.db2.gz HHFICKAISJFYFW-NSHDSACASA-N -1 0 346.766 3.568 20 0 EHADRM CCSCC[C@H](C)N(C)C(=O)Nc1cc(C)sc1C(=O)[O-] ZINC001597259499 987281851 /nfs/dbraw/zinc/28/18/51/987281851.db2.gz ZHDWYGWDHBKRJC-VIFPVBQESA-N -1 0 330.475 3.750 20 0 EHADRM C[C@@H](C(=O)OC[C@@](C)(C(=O)[O-])c1ccccc1)c1ccccc1F ZINC001589549066 987282428 /nfs/dbraw/zinc/28/24/28/987282428.db2.gz VMGPDBIJXIXLDW-BFUOFWGJSA-N -1 0 330.355 3.515 20 0 EHADRM CCSCc1ccc(NC(=O)/C=C/c2cc(C(=O)[O-])co2)cc1 ZINC001597264902 987292908 /nfs/dbraw/zinc/29/29/08/987292908.db2.gz CEKBHNJAPODFKZ-BQYQJAHWSA-N -1 0 331.393 3.883 20 0 EHADRM CCSCc1ccccc1C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC001597265315 987295602 /nfs/dbraw/zinc/29/56/02/987295602.db2.gz OWHMLQFXNYADFU-QGZVFWFLSA-N -1 0 343.448 3.838 20 0 EHADRM CCSCc1ccccc1C(=O)Nc1cc(C)c(C(=O)[O-])c(C)n1 ZINC001597267866 987307070 /nfs/dbraw/zinc/30/70/70/987307070.db2.gz REIORQBLUBDBDT-UHFFFAOYSA-N -1 0 344.436 3.902 20 0 EHADRM CCSc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC001597272723 987323514 /nfs/dbraw/zinc/32/35/14/987323514.db2.gz LHDBVYVTXHYBKW-UHFFFAOYSA-N -1 0 336.438 3.880 20 0 EHADRM CCSc1ccc(CC(=O)Nc2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001597273202 987327037 /nfs/dbraw/zinc/32/70/37/987327037.db2.gz SYWZWJXVQMNXMR-UHFFFAOYSA-N -1 0 329.421 3.986 20 0 EHADRM CCSc1cccc(F)c1NC(=O)N[C@](C)(CC(=O)[O-])C1CC1 ZINC001597277317 987333845 /nfs/dbraw/zinc/33/38/45/987333845.db2.gz LSGDUOZTPMFWQQ-MRXNPFEDSA-N -1 0 340.420 3.703 20 0 EHADRM CC(C)(C(=O)Nc1cc(F)cc(C(=O)[O-])c1F)c1ccccc1F ZINC001589576827 987356600 /nfs/dbraw/zinc/35/66/00/987356600.db2.gz VPLJYWRLWDVSBF-UHFFFAOYSA-N -1 0 337.297 3.718 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)N1CCC2(CCC2)CC1)c1ccccc1 ZINC001589594460 987410620 /nfs/dbraw/zinc/41/06/20/987410620.db2.gz OZVXTUOWIDNZRW-INIZCTEOSA-N -1 0 344.455 3.814 20 0 EHADRM CCc1[nH]c(C(=O)N2CC[C@@H](c3ccccc3C)C2)c(C)c1C(=O)[O-] ZINC001597362063 987525446 /nfs/dbraw/zinc/52/54/46/987525446.db2.gz ZUNOMWLTFQQOOY-CQSZACIVSA-N -1 0 340.423 3.522 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC001589636414 987554137 /nfs/dbraw/zinc/55/41/37/987554137.db2.gz RPEDUTNYSALMED-CABCVRRESA-N -1 0 348.468 3.551 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NC[C@@H]2CCC[C@@H]2C2CC2)cc1 ZINC001589637793 987557208 /nfs/dbraw/zinc/55/72/08/987557208.db2.gz LXYMTNVWGLVDEB-WMLDXEAASA-N -1 0 344.455 3.997 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OCc2nnc(-c3ccccc3)o2)c1 ZINC001589649210 987586864 /nfs/dbraw/zinc/58/68/64/987586864.db2.gz MKZHZHCGXFRKLL-UHFFFAOYSA-N -1 0 338.363 3.678 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)c2cnc3ccccc3c2)c1 ZINC001589649812 987594390 /nfs/dbraw/zinc/59/43/90/987594390.db2.gz AIBUBRWCYWUCAT-UHFFFAOYSA-N -1 0 335.359 3.816 20 0 EHADRM CCc1[nH]c(CNc2ccc3c(cnn3C(F)F)c2)cc1C(=O)[O-] ZINC001597398803 987653743 /nfs/dbraw/zinc/65/37/43/987653743.db2.gz UFHFHUDUNKZOQM-UHFFFAOYSA-N -1 0 334.326 3.632 20 0 EHADRM CCc1cc(C(=O)N[C@](C)(CC)C(=O)[O-])sc1-c1ccccc1 ZINC001597429431 987763639 /nfs/dbraw/zinc/76/36/39/987763639.db2.gz DIIBKPRSQPLRNF-GOSISDBHSA-N -1 0 331.437 3.961 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)CCCOc1ccc(Cl)cc1 ZINC001589700423 987790778 /nfs/dbraw/zinc/79/07/78/987790778.db2.gz LFLJEESWPDVIHV-AWEZNQCLSA-N -1 0 341.835 3.505 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)Cc2c[nH]c3cc(F)ccc23)s1 ZINC001597441077 987802174 /nfs/dbraw/zinc/80/21/74/987802174.db2.gz PKANAODUOLDJMN-UHFFFAOYSA-N -1 0 346.383 3.810 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC001589703247 987805973 /nfs/dbraw/zinc/80/59/73/987805973.db2.gz WGNPWICXEJAHLT-AWEZNQCLSA-N -1 0 345.399 3.716 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)N2CCC=C(c3ccco3)C2)s1 ZINC001597442922 987807562 /nfs/dbraw/zinc/80/75/62/987807562.db2.gz ILWPCXIMTWLGNP-UHFFFAOYSA-N -1 0 346.408 3.923 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)c1ccc(-c2ccccc2F)o1 ZINC001589704371 987810834 /nfs/dbraw/zinc/81/08/34/987810834.db2.gz KFUVZCVOOUMYOE-OAHLLOKOSA-N -1 0 333.359 3.705 20 0 EHADRM CC(C)(C)[C@H](NC(=O)Nc1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC001589717255 987865503 /nfs/dbraw/zinc/86/55/03/987865503.db2.gz WIIJXIQIXSKRGA-OAHLLOKOSA-N -1 0 327.384 3.689 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NC[C@@H](C)c1ccccc1 ZINC001597458806 987882436 /nfs/dbraw/zinc/88/24/36/987882436.db2.gz VGQOLWATDZHRKL-CYBMUJFWSA-N -1 0 326.396 3.872 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCc1nc(C(C)C)cs1 ZINC001597459501 987885298 /nfs/dbraw/zinc/88/52/98/987885298.db2.gz ISJKSZFQUBYADL-UHFFFAOYSA-N -1 0 347.440 3.849 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cc(C=O)c(C)cc1C ZINC001597463700 987893720 /nfs/dbraw/zinc/89/37/20/987893720.db2.gz BWOVKEZGBZYMRW-UHFFFAOYSA-N -1 0 325.364 3.629 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cc(Cl)cc(C)c1N ZINC001597463706 987893913 /nfs/dbraw/zinc/89/39/13/987893913.db2.gz CBQZZLKISOJWJF-UHFFFAOYSA-N -1 0 332.787 3.744 20 0 EHADRM CC(C)(C)[C@@H]1C[C@@H](Nc2cc(C(=O)[O-])cc3cccnc32)CCO1 ZINC001589725820 987902423 /nfs/dbraw/zinc/90/24/23/987902423.db2.gz BGWDDCLKDQVUJE-HOCLYGCPSA-N -1 0 328.412 3.939 20 0 EHADRM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)NCCCCCCC(=O)[O-] ZINC001589728229 987928835 /nfs/dbraw/zinc/92/88/35/987928835.db2.gz GMQQYKBKAVVUNH-LSDHHAIUSA-N -1 0 326.481 3.926 20 0 EHADRM CS[C@H](CNC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1)C(C)(C)C ZINC001599786686 987933567 /nfs/dbraw/zinc/93/35/67/987933567.db2.gz DSRYTQWVRJVYCW-SMDDNHRTSA-N -1 0 338.473 3.774 20 0 EHADRM CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)N1CCC(CC(=O)[O-])CC1 ZINC001589729124 987939547 /nfs/dbraw/zinc/93/95/47/987939547.db2.gz SWGJPYYAOMGOKV-CVEARBPZSA-N -1 0 338.492 3.735 20 0 EHADRM CS[C@@H]1CC[C@@H](N(C)C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)C1 ZINC001599787367 987946417 /nfs/dbraw/zinc/94/64/17/987946417.db2.gz CNQYHHXALVOPHR-VXGBXAGGSA-N -1 0 347.440 3.614 20 0 EHADRM CS[C@H](CNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)C(C)(C)C ZINC001599787870 987954527 /nfs/dbraw/zinc/95/45/27/987954527.db2.gz YLQGWLTWUJMOLE-GFCCVEGCSA-N -1 0 346.399 3.562 20 0 EHADRM CC(C)(C)[C@@H]1CCN1C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001589732539 987963073 /nfs/dbraw/zinc/96/30/73/987963073.db2.gz SQOWMTJDOHPMIW-LSDHHAIUSA-N -1 0 332.444 3.669 20 0 EHADRM CCc1cc2c(nc(C)nc2Nc2cccc(CC(=O)[O-])c2)s1 ZINC001597489544 988010523 /nfs/dbraw/zinc/01/05/23/988010523.db2.gz KSCQTCGJCRDXPL-UHFFFAOYSA-N -1 0 327.409 3.933 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)OCc3oncc3C(=O)[O-])o2)cc1 ZINC001597491798 988020249 /nfs/dbraw/zinc/02/02/49/988020249.db2.gz CNJQXBLJNSAHLR-UHFFFAOYSA-N -1 0 341.319 3.552 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)Nc3ccc(C(=O)[O-])nc3)o2)cc1 ZINC001597491981 988023170 /nfs/dbraw/zinc/02/31/70/988023170.db2.gz HQYYJELNXWSHPK-UHFFFAOYSA-N -1 0 336.347 3.855 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N3C[C@@H](C)[C@H](CC(=O)[O-])C3)o2)cc1 ZINC001597492134 988024756 /nfs/dbraw/zinc/02/47/56/988024756.db2.gz KXHAKAMMJLHTQY-CZUORRHYSA-N -1 0 341.407 3.692 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)CCCCCc1ccc(O)cc1)C(=O)[O-] ZINC001589743333 988025667 /nfs/dbraw/zinc/02/56/67/988025667.db2.gz KMJUXKIHOSRDIB-MRXNPFEDSA-N -1 0 335.444 3.501 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001589743378 988025683 /nfs/dbraw/zinc/02/56/83/988025683.db2.gz LTJFDWWAHWRCTE-NEPJUHHUSA-N -1 0 349.324 3.722 20 0 EHADRM CCc1ccc(C(=O)N(C)c2c(OC)cccc2C(=O)[O-])cc1CC ZINC001597498491 988045159 /nfs/dbraw/zinc/04/51/59/988045159.db2.gz GPNNNCQTKZBAAT-UHFFFAOYSA-N -1 0 341.407 3.795 20 0 EHADRM CSCC[C@H](OC(=O)CCc1ccc2ccccc2c1)C(=O)[O-] ZINC001599795623 988092818 /nfs/dbraw/zinc/09/28/18/988092818.db2.gz BWNFWIORXAASGH-INIZCTEOSA-N -1 0 332.421 3.522 20 0 EHADRM CCc1ccc([C@H](COC)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)o1 ZINC001597513446 988110343 /nfs/dbraw/zinc/11/03/43/988110343.db2.gz UXUHTXISBATUEO-GOEBONIOSA-N -1 0 337.803 3.598 20 0 EHADRM CCc1ccc(C2=CCN(C(=O)Cc3cccc(C(=O)[O-])c3)CC2)cc1 ZINC001597514968 988126358 /nfs/dbraw/zinc/12/63/58/988126358.db2.gz ZZWKRYZOEGRIKM-UHFFFAOYSA-N -1 0 349.430 3.806 20 0 EHADRM CCc1ccc(C2CCN(C(=O)c3oc(C(=O)[O-])cc3C)CC2)cc1 ZINC001597516617 988128707 /nfs/dbraw/zinc/12/87/07/988128707.db2.gz FUNCMMGNPAAYQU-UHFFFAOYSA-N -1 0 341.407 3.868 20 0 EHADRM CC(C)(C)N1CC[C@H](Nc2ccc(Cl)c(C(=O)[O-])c2Cl)C1=O ZINC001589815194 988250621 /nfs/dbraw/zinc/25/06/21/988250621.db2.gz LJKOGDFDCWECTD-JTQLQIEISA-N -1 0 345.226 3.503 20 0 EHADRM CSc1cc(C(=O)NC[C@@H](C(=O)[O-])C2CCCCCC2)c(C)o1 ZINC001599806692 988267937 /nfs/dbraw/zinc/26/79/37/988267937.db2.gz QMNROHWJNTZMAV-CQSZACIVSA-N -1 0 339.457 3.711 20 0 EHADRM CCc1ccc(NC(=O)c2nc(C(C)(C)C)cs2)c(C(=O)[O-])c1 ZINC001597551058 988271411 /nfs/dbraw/zinc/27/14/11/988271411.db2.gz ACLJPQXOEXXQLR-UHFFFAOYSA-N -1 0 332.425 3.954 20 0 EHADRM CSc1cc(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)ccc1F ZINC001599807087 988272558 /nfs/dbraw/zinc/27/25/58/988272558.db2.gz GPAUPCPYWRNYNZ-UHFFFAOYSA-N -1 0 337.347 3.566 20 0 EHADRM CSc1cc(C(=O)Nc2c3ccc(C)nc3sc2C(=O)[O-])co1 ZINC001599807787 988283940 /nfs/dbraw/zinc/28/39/40/988283940.db2.gz WFGRDTPMNUGHAU-UHFFFAOYSA-N -1 0 348.405 3.870 20 0 EHADRM CSc1cc(F)ccc1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001599808437 988294346 /nfs/dbraw/zinc/29/43/46/988294346.db2.gz FALYBOWKIUUPQN-UHFFFAOYSA-N -1 0 334.372 3.819 20 0 EHADRM CCc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC001597562332 988305326 /nfs/dbraw/zinc/30/53/26/988305326.db2.gz CVWAZBDVDKCVMW-RHSMWYFYSA-N -1 0 346.471 3.842 20 0 EHADRM CCc1ccc2ccccc2c1CNC(=O)NCC(C)(C)CC(=O)[O-] ZINC001597569098 988331019 /nfs/dbraw/zinc/33/10/19/988331019.db2.gz QACVQOCOVFNJEF-UHFFFAOYSA-N -1 0 342.439 3.702 20 0 EHADRM CSc1ccc(CCC(=O)N(CC(C)C)C(C)(C)C(=O)[O-])cc1 ZINC001599811774 988348888 /nfs/dbraw/zinc/34/88/88/988348888.db2.gz AHTOFUYHJCJXCG-UHFFFAOYSA-N -1 0 337.485 3.689 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)C(F)(F)c1ccccc1F ZINC001597576505 988365687 /nfs/dbraw/zinc/36/56/87/988365687.db2.gz MQFZOYKJMKXXTQ-UHFFFAOYSA-N -1 0 337.297 3.817 20 0 EHADRM CSc1ccc(CNC(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC001599812805 988367411 /nfs/dbraw/zinc/36/74/11/988367411.db2.gz GTWZJAKEBQWJAN-UHFFFAOYSA-N -1 0 330.409 3.737 20 0 EHADRM CSc1ccc(N(C)C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC001599814215 988391842 /nfs/dbraw/zinc/39/18/42/988391842.db2.gz ICMCOIPDFBXLGN-UHFFFAOYSA-N -1 0 334.372 3.914 20 0 EHADRM CCc1cccc(CC(=O)Oc2ccc(/C=C/C(=O)[O-])cc2OC)c1 ZINC001597585428 988396101 /nfs/dbraw/zinc/39/61/01/988396101.db2.gz NXXKVTSEFJPDIM-CSKARUKUSA-N -1 0 340.375 3.504 20 0 EHADRM CSc1ccc(NC(=O)c2cc(Cl)ncc2F)cc1C(=O)[O-] ZINC001599816923 988443271 /nfs/dbraw/zinc/44/32/71/988443271.db2.gz FVSQMEFAMHWJCO-UHFFFAOYSA-N -1 0 340.763 3.547 20 0 EHADRM CSc1ccc(NC(=O)N[C@H](C)CCc2ccco2)cc1C(=O)[O-] ZINC001599818606 988473115 /nfs/dbraw/zinc/47/31/15/988473115.db2.gz WKRNNOWWGFXWKS-LLVKDONJSA-N -1 0 348.424 3.843 20 0 EHADRM CSc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC001599818852 988476854 /nfs/dbraw/zinc/47/68/54/988476854.db2.gz CLLLUSRSPXEJFB-KGLIPLIRSA-N -1 0 327.405 3.849 20 0 EHADRM CCc1ccccc1C(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001597604061 988478685 /nfs/dbraw/zinc/47/86/85/988478685.db2.gz BRQLMPVGCUJTOJ-UHFFFAOYSA-N -1 0 337.375 3.666 20 0 EHADRM CCc1ccccc1C(=O)Oc1cc(/C=C/C(=O)[O-])ccc1OC ZINC001597609863 988501317 /nfs/dbraw/zinc/50/13/17/988501317.db2.gz WVLHUYYNWYBDTD-PKNBQFBNSA-N -1 0 326.348 3.575 20 0 EHADRM CCc1ccccc1NC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001597614324 988517134 /nfs/dbraw/zinc/51/71/34/988517134.db2.gz BBGBCTNQLSKESC-DLBZAZTESA-N -1 0 338.407 3.581 20 0 EHADRM CSc1ccc([C@H](C)NC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001599821372 988519285 /nfs/dbraw/zinc/51/92/85/988519285.db2.gz YEQXGFQLFGXQTF-JTQLQIEISA-N -1 0 333.384 3.737 20 0 EHADRM CSc1cccc(N(C)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001599821725 988525250 /nfs/dbraw/zinc/52/52/50/988525250.db2.gz GANHPCXAJBILNZ-UHFFFAOYSA-N -1 0 334.372 3.914 20 0 EHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001597621051 988544003 /nfs/dbraw/zinc/54/40/03/988544003.db2.gz AJWKKRXMOCDDIO-NZSAHSFTSA-N -1 0 343.467 3.750 20 0 EHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001597621402 988548042 /nfs/dbraw/zinc/54/80/42/988548042.db2.gz LYFHHOMVWREEJW-QWHCGFSZSA-N -1 0 345.345 3.968 20 0 EHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001597621683 988552103 /nfs/dbraw/zinc/55/21/03/988552103.db2.gz QJCWLIQDUYYREP-BPQIPLTHSA-N -1 0 343.467 3.702 20 0 EHADRM CSc1ccccc1[C@@H](C)NC(=O)NCc1cc(C)c(C(=O)[O-])o1 ZINC001599825951 988598787 /nfs/dbraw/zinc/59/87/87/988598787.db2.gz AWGISZQAOWQWPD-LLVKDONJSA-N -1 0 348.424 3.569 20 0 EHADRM CSc1ccccc1[C@H](C)NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001599826248 988602536 /nfs/dbraw/zinc/60/25/36/988602536.db2.gz IYAKNWIGKYOQMA-JTQLQIEISA-N -1 0 332.425 3.543 20 0 EHADRM Cc1ccccc1CS(=O)(=O)[N-][C@@H](C1CCCC1)C(F)(F)F ZINC000179500106 1015404314 /nfs/dbraw/zinc/40/43/14/1015404314.db2.gz HATDHQUJVIMOBO-AWEZNQCLSA-N -1 0 335.391 3.536 20 0 EHADRM C[C@@H](C(=O)[O-])N(C)C(=O)/C=C\c1cccc(-c2ccc(Cl)cc2)c1 ZINC001599831229 988678307 /nfs/dbraw/zinc/67/83/07/988678307.db2.gz WSWNGSBQLBGVKM-GXJZLWQJSA-N -1 0 343.810 3.952 20 0 EHADRM C[C@@H](C(=O)O[C@H](Cc1ccc(Cl)cc1)C(=O)[O-])c1ccccc1 ZINC001599833528 988709051 /nfs/dbraw/zinc/70/90/51/988709051.db2.gz OJNXBDGHYHWJRO-MLGOLLRUSA-N -1 0 332.783 3.683 20 0 EHADRM CCc1nc(SCc2cn3cccc(C(=O)[O-])c3n2)sc1C ZINC001597690882 988876254 /nfs/dbraw/zinc/87/62/54/988876254.db2.gz XSJGXUYKVHJESQ-UHFFFAOYSA-N -1 0 333.438 3.652 20 0 EHADRM CCc1ncsc1NC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC001597712156 988974231 /nfs/dbraw/zinc/97/42/31/988974231.db2.gz NPSCIIPBEIYECS-SECBINFHSA-N -1 0 336.438 3.523 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)[C@H](C)CCO1 ZINC001599859555 989145792 /nfs/dbraw/zinc/14/57/92/989145792.db2.gz OYUIZVLYXUFMNO-CHWSQXEVSA-N -1 0 342.395 3.569 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CSc1nc(C)c(C2CC2)c(=O)[nH]1 ZINC001597772362 989238916 /nfs/dbraw/zinc/23/89/16/989238916.db2.gz ZYHUZXGZAJSERL-UHFFFAOYSA-N -1 0 334.397 3.514 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CSc1nnc(NC(C)C)s1 ZINC001597772794 989241435 /nfs/dbraw/zinc/24/14/35/989241435.db2.gz DFBVWKJNXDZWOA-UHFFFAOYSA-N -1 0 327.431 3.504 20 0 EHADRM CCc1oc(CNCc2ccnc(OC3CCCC3)c2)cc1C(=O)[O-] ZINC001597806101 989418185 /nfs/dbraw/zinc/41/81/85/989418185.db2.gz XVIWAULZWHWAPM-UHFFFAOYSA-N -1 0 344.411 3.546 20 0 EHADRM CCc1onc(-c2ccccc2)c1C(=O)OC1CCC(C(=O)[O-])CC1 ZINC001597810759 989427033 /nfs/dbraw/zinc/42/70/33/989427033.db2.gz GELYWIPNNBXEIX-UHFFFAOYSA-N -1 0 343.379 3.704 20 0 EHADRM CCn1c2ccccc2nc1[C@@H](C)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001597841159 989540943 /nfs/dbraw/zinc/54/09/43/989540943.db2.gz YDDUGTFECGVFBM-GHMZBOCLSA-N -1 0 344.440 3.623 20 0 EHADRM CCn1cc(Cl)cc1C(=O)Nc1ncc(C(=O)[O-])c2ccccc12 ZINC001597895801 989760347 /nfs/dbraw/zinc/76/03/47/989760347.db2.gz YBYYHTJVYSMCRO-UHFFFAOYSA-N -1 0 343.770 3.660 20 0 EHADRM CC(C)(C)OCc1ccccc1C(=O)O[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001590398607 989930624 /nfs/dbraw/zinc/93/06/24/989930624.db2.gz JLLVDAJBZUQWDZ-UKRRQHHQSA-N -1 0 334.412 3.802 20 0 EHADRM CC(C)(C)Oc1cccc(CNc2cccc(CCC(=O)[O-])c2)n1 ZINC001590420664 989965899 /nfs/dbraw/zinc/96/58/99/989965899.db2.gz XUFNOFGVLZDYJA-UHFFFAOYSA-N -1 0 328.412 3.888 20 0 EHADRM CCn1nnc(C)c1CSc1cc2ccccc2cc1C(=O)[O-] ZINC001597974059 990033010 /nfs/dbraw/zinc/03/30/10/990033010.db2.gz NZQOJSMBFPNCFE-UHFFFAOYSA-N -1 0 327.409 3.750 20 0 EHADRM CC(C)(C)c1ccc(C(=O)Nc2cc(C(=O)[O-])c[nH]c2=O)cc1Cl ZINC001590481928 990078091 /nfs/dbraw/zinc/07/80/91/990078091.db2.gz WKMCAMJDHYUGND-UHFFFAOYSA-N -1 0 348.786 3.689 20 0 EHADRM CC(C)(C)c1ccc2[nH]c(C(=O)NC[C@@H](CC3CC3)C(=O)[O-])cc2c1 ZINC001590501045 990116616 /nfs/dbraw/zinc/11/66/16/990116616.db2.gz QCPBKJUMLJSGPT-CQSZACIVSA-N -1 0 342.439 3.696 20 0 EHADRM CN(C(=O)C[C@H](c1ccc(O)cc1)C1CC1)C1(C(=O)[O-])CCCCC1 ZINC001598007932 990168668 /nfs/dbraw/zinc/16/86/68/990168668.db2.gz NMAOIOZUVDQPKE-KRWDZBQOSA-N -1 0 345.439 3.522 20 0 EHADRM CN(C(=O)CCCc1c(F)cccc1F)C1(C(=O)[O-])CCCCC1 ZINC001598012432 990182986 /nfs/dbraw/zinc/18/29/86/990182986.db2.gz BTNPHPPWVNXDFR-UHFFFAOYSA-N -1 0 339.382 3.533 20 0 EHADRM CN(C(=O)CCSCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001598017969 990196597 /nfs/dbraw/zinc/19/65/97/990196597.db2.gz RABYLCRSLKMCGU-UHFFFAOYSA-N -1 0 329.421 3.671 20 0 EHADRM CC(C)(C)c1nccc(N[C@@H](CCC(=O)[O-])Cc2ccccc2)n1 ZINC001590571525 990207429 /nfs/dbraw/zinc/20/74/29/990207429.db2.gz DGYZTXUTDGZZCE-HNNXBMFYSA-N -1 0 327.428 3.662 20 0 EHADRM CN(C(=O)Nc1ccc(F)c(C(=O)[O-])c1F)[C@@H]1CCC(C)(C)C1 ZINC001598059798 990326706 /nfs/dbraw/zinc/32/67/06/990326706.db2.gz BZGHCXNKSBHSKU-SECBINFHSA-N -1 0 326.343 3.705 20 0 EHADRM CC(C)(CCCc1ccccc1)CNC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001590664870 990365094 /nfs/dbraw/zinc/36/50/94/990365094.db2.gz SEEFJMKVHNOQDA-HXUWFJFHSA-N -1 0 346.471 3.542 20 0 EHADRM CN(C(=O)c1cc2ccccc2cc1F)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598082248 990399471 /nfs/dbraw/zinc/39/94/71/990399471.db2.gz QLWJSLRJXLDSLD-GOSISDBHSA-N -1 0 337.350 3.877 20 0 EHADRM CC(C)(CNC(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1)CC(=O)[O-] ZINC001590723770 990506420 /nfs/dbraw/zinc/50/64/20/990506420.db2.gz DMGJFDSCWAJQFU-JKSUJKDBSA-N -1 0 332.444 3.513 20 0 EHADRM CC(C)(CNC(=O)NCc1ccc(CC(=O)[O-])cc1)C1CCCCC1 ZINC001590726206 990514828 /nfs/dbraw/zinc/51/48/28/990514828.db2.gz NEYLGYIBOMRCFO-UHFFFAOYSA-N -1 0 346.471 3.719 20 0 EHADRM CC(C)(CNC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccc(Cl)cc1 ZINC001590749136 990547210 /nfs/dbraw/zinc/54/72/10/990547210.db2.gz GWFGOQLWCIVGPG-UHFFFAOYSA-N -1 0 349.789 3.885 20 0 EHADRM CC(C)(CNc1ncc(C(=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC001590780219 990593581 /nfs/dbraw/zinc/59/35/81/990593581.db2.gz VADZYLGTKQLQKY-UHFFFAOYSA-N -1 0 340.210 3.871 20 0 EHADRM CC(C)(COCc1ccccc1)c1nc(-c2cc(C(=O)[O-])co2)no1 ZINC001590787623 990607135 /nfs/dbraw/zinc/60/71/35/990607135.db2.gz ZEFGTNHHOMVMIF-UHFFFAOYSA-N -1 0 342.351 3.522 20 0 EHADRM CN(C)[C@H](C(=O)Nc1ccc(C(=O)[O-])c2ccccc12)c1ccccc1 ZINC001598165145 990679201 /nfs/dbraw/zinc/67/92/01/990679201.db2.gz LXMBFDDMLWQWHS-IBGZPJMESA-N -1 0 348.402 3.779 20 0 EHADRM CC(C)(NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)C1CCC1 ZINC001590854658 990735077 /nfs/dbraw/zinc/73/50/77/990735077.db2.gz DVBFKFLYXGIDIB-UHFFFAOYSA-N -1 0 342.342 3.686 20 0 EHADRM CC(C)(NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])c1cccc(Cl)c1 ZINC001590854857 990736938 /nfs/dbraw/zinc/73/69/38/990736938.db2.gz NBWHFZROVHKCCS-SMDDNHRTSA-N -1 0 338.835 3.518 20 0 EHADRM CC(C)(Oc1ccc(F)cc1)c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC001590907502 990874521 /nfs/dbraw/zinc/87/45/21/990874521.db2.gz ZKKRTBHQTYXPPR-UHFFFAOYSA-N -1 0 342.326 3.888 20 0 EHADRM COc1cccc([C@H](NCc2csc(Cl)c2Cl)C(=O)[O-])c1 ZINC001599688188 991022516 /nfs/dbraw/zinc/02/25/16/991022516.db2.gz QSEACLMGMBFKDX-LBPRGKRZSA-N -1 0 346.235 3.979 20 0 EHADRM COc1cccc2[nH]cc(CCNc3ncc(C(=O)[O-])cc3Cl)c21 ZINC001599688548 991028510 /nfs/dbraw/zinc/02/85/10/991028510.db2.gz HSDKTJRTVYXIJF-UHFFFAOYSA-N -1 0 345.786 3.578 20 0 EHADRM CC(C)[C@@H](C(=O)Nc1ncc(C(=O)[O-])c2ccccc21)c1cccnc1 ZINC001590956649 991028944 /nfs/dbraw/zinc/02/89/44/991028944.db2.gz JUEBOSVOUOGQFX-QGZVFWFLSA-N -1 0 349.390 3.706 20 0 EHADRM CC(C)[C@@H](C(=O)NC[C@H](C(=O)[O-])C1CCCCC1)c1ccccc1 ZINC001590958265 991047864 /nfs/dbraw/zinc/04/78/64/991047864.db2.gz VCDIXNOEYUDDPX-ZWKOTPCHSA-N -1 0 331.456 3.824 20 0 EHADRM CC(C)C(C)(C)CNC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001590963928 991067665 /nfs/dbraw/zinc/06/76/65/991067665.db2.gz RMIMDHGHMVTMQY-UHFFFAOYSA-N -1 0 342.233 3.559 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)C(=O)NCc1ccccc1C(=O)[O-] ZINC001590969173 991094446 /nfs/dbraw/zinc/09/44/46/991094446.db2.gz YOFUDGAJRCQKBF-NRFANRHFSA-N -1 0 339.435 3.906 20 0 EHADRM CC(C)[C@H](C)N(CC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001590974307 991107318 /nfs/dbraw/zinc/10/73/18/991107318.db2.gz FWIBTVAUVLSYGB-HNNXBMFYSA-N -1 0 340.423 3.874 20 0 EHADRM CC(C)[C@@H](C)N(Cc1noc(CCCC(=O)[O-])n1)c1ccccc1 ZINC001590974736 991114840 /nfs/dbraw/zinc/11/48/40/991114840.db2.gz XIDPOOCLPWQENO-CQSZACIVSA-N -1 0 331.416 3.528 20 0 EHADRM CC(C)[C@H](CC1CCCCC1)C(=O)NCCSCCC(=O)[O-] ZINC001590980283 991129830 /nfs/dbraw/zinc/12/98/30/991129830.db2.gz ABLJWSCKVCXFNO-HNNXBMFYSA-N -1 0 329.506 3.553 20 0 EHADRM CC(C)[C@@H](CCc1ccccc1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001590980391 991131285 /nfs/dbraw/zinc/13/12/85/991131285.db2.gz CEFQEDQNPXQQNU-LJQANCHMSA-N -1 0 339.435 3.906 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001599698540 991184313 /nfs/dbraw/zinc/18/43/13/991184313.db2.gz PABHRNAMOZPBOS-SNVBAGLBSA-N -1 0 349.333 3.804 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001590994259 991219090 /nfs/dbraw/zinc/21/90/90/991219090.db2.gz YSYARGWYSCRQNT-LJQANCHMSA-N -1 0 339.435 3.701 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)NCCCC1CCCCC1 ZINC001598299276 991237815 /nfs/dbraw/zinc/23/78/15/991237815.db2.gz UIBGEGQAEVVOFK-UHFFFAOYSA-N -1 0 347.459 3.933 20 0 EHADRM CN(C)c1ccc(C(=O)O[C@@H]2CCCc3cc(C(=O)[O-])ccc32)cc1 ZINC001598313194 991287965 /nfs/dbraw/zinc/28/79/65/991287965.db2.gz FSGVOBTYGBPVBT-GOSISDBHSA-N -1 0 339.391 3.685 20 0 EHADRM CN(C)c1ccc(NC(=O)NCCCCCCC(=O)[O-])cc1Cl ZINC001598325874 991344413 /nfs/dbraw/zinc/34/44/13/991344413.db2.gz USXVSYXFZCVOEX-UHFFFAOYSA-N -1 0 341.839 3.563 20 0 EHADRM CN(C)c1cccc(CCC(=O)Oc2cc(Cl)ccc2C(=O)[O-])c1 ZINC001598334631 991378850 /nfs/dbraw/zinc/37/88/50/991378850.db2.gz HCYBWCJTKDBJCI-UHFFFAOYSA-N -1 0 347.798 3.642 20 0 EHADRM CC(C)[C@@H](OC(=O)c1csc(-c2ccc(Cl)s2)n1)C(=O)[O-] ZINC001591045967 991431020 /nfs/dbraw/zinc/43/10/20/991431020.db2.gz WUKAEPSUOURPDU-SNVBAGLBSA-N -1 0 345.829 3.791 20 0 EHADRM COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cc(C)c(C(=O)[O-])s1 ZINC001599719167 991507913 /nfs/dbraw/zinc/50/79/13/991507913.db2.gz UVUWIFVGHPPONE-NWDGAFQWSA-N -1 0 331.393 3.506 20 0 EHADRM COc1ccccc1[C@H](C)NC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC001599719276 991508969 /nfs/dbraw/zinc/50/89/69/991508969.db2.gz IGHQTKMOJYYWBM-STQMWFEESA-N -1 0 342.395 3.766 20 0 EHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC001591081842 991594531 /nfs/dbraw/zinc/59/45/31/991594531.db2.gz LKHIZLKYFXPYFA-LNNXQNCSSA-N -1 0 343.467 3.966 20 0 EHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)C1 ZINC001591082524 991599432 /nfs/dbraw/zinc/59/94/32/991599432.db2.gz UNZPMHORFOZDAY-YZLZLFLDSA-N -1 0 329.440 3.576 20 0 EHADRM CC(C)[C@H]1CCC[C@@H](NC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)C1 ZINC001591082833 991602434 /nfs/dbraw/zinc/60/24/34/991602434.db2.gz ZDLYLPBOFDKDLQ-MAUKXSAKSA-N -1 0 344.455 3.667 20 0 EHADRM CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001591095468 991681119 /nfs/dbraw/zinc/68/11/19/991681119.db2.gz VZGQWVSBFRWXLW-KANFNMMFSA-N -1 0 343.467 3.953 20 0 EHADRM CC(C)[C@@H]1N(C(=O)Nc2cc(C(=O)[O-])ccn2)CC12CCCCC2 ZINC001591099843 991716480 /nfs/dbraw/zinc/71/64/80/991716480.db2.gz QVLRZEDZPLMXDG-HNNXBMFYSA-N -1 0 331.416 3.602 20 0 EHADRM CC(C)[C@H]1OCCC[C@@H]1CNc1ncc(C(=O)[O-])cc1C(F)(F)F ZINC001591104384 991726429 /nfs/dbraw/zinc/72/64/29/991726429.db2.gz ALYSHIKPAKATQL-ZWNOBZJWSA-N -1 0 346.349 3.662 20 0 EHADRM CC(C)[C@H]1c2ccccc2CCN1C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001591105772 991736229 /nfs/dbraw/zinc/73/62/29/991736229.db2.gz ZYIVDXLSCUPXJJ-ALKREAHSSA-N -1 0 344.455 3.595 20 0 EHADRM CC(C)C[C@H](C)C(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001591130505 991822901 /nfs/dbraw/zinc/82/29/01/991822901.db2.gz IYHRCTATFDXPSX-LBPRGKRZSA-N -1 0 346.452 3.807 20 0 EHADRM COc1nsc(CN2CC3(CCC3)[C@@H]2c2ccccc2)c1C(=O)[O-] ZINC001599740976 991855072 /nfs/dbraw/zinc/85/50/72/991855072.db2.gz PBGJAQJEVXSITF-HNNXBMFYSA-N -1 0 344.436 3.577 20 0 EHADRM CC(C)C[C@H]1CCCN1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001591207602 992042708 /nfs/dbraw/zinc/04/27/08/992042708.db2.gz RYPQMBXEAJBRRZ-OAHLLOKOSA-N -1 0 334.416 3.583 20 0 EHADRM CC(C)C[C@@H]1CCN(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)C1 ZINC001591207727 992045313 /nfs/dbraw/zinc/04/53/13/992045313.db2.gz YCVPYWLAMAGQOV-LBPRGKRZSA-N -1 0 329.400 3.766 20 0 EHADRM CC(C)CC[C@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001591227379 992098536 /nfs/dbraw/zinc/09/85/36/992098536.db2.gz FECOXOLYMFMBLE-OAHLLOKOSA-N -1 0 347.459 3.883 20 0 EHADRM CC(C)CCCCNC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001591236327 992116561 /nfs/dbraw/zinc/11/65/61/992116561.db2.gz CIXDDTRDGCLNLO-UHFFFAOYSA-N -1 0 347.459 3.933 20 0 EHADRM CC(C)CCCCCC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC001591236353 992116737 /nfs/dbraw/zinc/11/67/37/992116737.db2.gz DUDSQHUBUWFTCD-INIZCTEOSA-N -1 0 327.371 3.813 20 0 EHADRM CC(C)CCc1ccc(NC(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)cc1 ZINC001591266480 992180691 /nfs/dbraw/zinc/18/06/91/992180691.db2.gz HXKWYKIIQNXCEY-LIRRHRJNSA-N -1 0 332.444 3.850 20 0 EHADRM CC(C)CCc1ccc(NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1 ZINC001591266887 992182468 /nfs/dbraw/zinc/18/24/68/992182468.db2.gz UCEUEFSXYIFQFV-ZWKOTPCHSA-N -1 0 344.455 3.850 20 0 EHADRM CC(C)CN(C(=O)CC1CC(c2ccccc2)C1)C(C)(C)C(=O)[O-] ZINC001591279925 992204575 /nfs/dbraw/zinc/20/45/75/992204575.db2.gz BRHIKNBDFRLLIK-UHFFFAOYSA-N -1 0 331.456 3.918 20 0 EHADRM CC(C)CN(C(=O)[C@@H](C)c1ccc(Cl)s1)C(C)(C)C(=O)[O-] ZINC001591281362 992213505 /nfs/dbraw/zinc/21/35/05/992213505.db2.gz MGPUNKSMFRIOPJ-JTQLQIEISA-N -1 0 331.865 3.853 20 0 EHADRM CC(C)CN(C(=O)CCSCc1ccccc1)C(C)(C)C(=O)[O-] ZINC001591281597 992216871 /nfs/dbraw/zinc/21/68/71/992216871.db2.gz UNRRQINRKQRFRW-UHFFFAOYSA-N -1 0 337.485 3.658 20 0 EHADRM CC(C)CN(C(=O)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)C(C)(C)C(=O)[O-] ZINC001591281591 992216966 /nfs/dbraw/zinc/21/69/66/992216966.db2.gz UJHUPIPAUBKKSZ-OWCLPIDISA-N -1 0 349.858 3.574 20 0 EHADRM CC(C)CN(C(=O)c1ccc(C(F)(F)F)s1)C(C)(C)C(=O)[O-] ZINC001591284604 992219608 /nfs/dbraw/zinc/21/96/08/992219608.db2.gz AZCVLXUHIIBUEL-UHFFFAOYSA-N -1 0 337.363 3.728 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)[C@@H](C)c1c(Cl)cccc1Cl ZINC001591290904 992239727 /nfs/dbraw/zinc/23/97/27/992239727.db2.gz JRYAJOWLAFRQFN-JTQLQIEISA-N -1 0 332.227 3.666 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1cc(-c2ccccc2)no1 ZINC001591313299 992275360 /nfs/dbraw/zinc/27/53/60/992275360.db2.gz UNGYRPTXOGTYSM-UHFFFAOYSA-N -1 0 344.411 3.551 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC001591323922 992298255 /nfs/dbraw/zinc/29/82/55/992298255.db2.gz ZPZVDTXEEXONQR-QZTJIDSGSA-N -1 0 331.456 3.605 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)Cc1cc(Cl)cc2ccccc21 ZINC001591324173 992299546 /nfs/dbraw/zinc/29/95/46/992299546.db2.gz FUTPTRPOBYUCRY-UHFFFAOYSA-N -1 0 347.842 3.995 20 0 EHADRM CC(C)CN(Cc1ccccc1)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001591344059 992328543 /nfs/dbraw/zinc/32/85/43/992328543.db2.gz MOCITWIGGRIVAZ-UHFFFAOYSA-N -1 0 346.471 3.889 20 0 EHADRM CC(C)COc1ccccc1-c1noc(-c2cncc(C(=O)[O-])c2)n1 ZINC001591402233 992483031 /nfs/dbraw/zinc/48/30/31/992483031.db2.gz VXIIYVGPWBICBJ-UHFFFAOYSA-N -1 0 339.351 3.532 20 0 EHADRM CC(C)COc1ccccc1NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001591409687 992484899 /nfs/dbraw/zinc/48/48/99/992484899.db2.gz JUHYAFVDULYHJP-CSKARUKUSA-N -1 0 329.352 3.665 20 0 EHADRM CC(C)CSCCCNC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001591416070 992495915 /nfs/dbraw/zinc/49/59/15/992495915.db2.gz OYBMAXLLMUCAJT-UHFFFAOYSA-N -1 0 346.399 3.564 20 0 EHADRM CN(Cc1cc(C(C)(C)C)n[nH]1)[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001598507582 992526154 /nfs/dbraw/zinc/52/61/54/992526154.db2.gz WLBOIMCBSKCVCG-HNNXBMFYSA-N -1 0 335.835 3.618 20 0 EHADRM CN(Cc1cc2ccccc2[nH]1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001598508451 992534938 /nfs/dbraw/zinc/53/49/38/992534938.db2.gz IXDKYEIGTOEUAT-UHFFFAOYSA-N -1 0 341.342 3.669 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cc(C2CC2)cnc1Cl ZINC001598512153 992575918 /nfs/dbraw/zinc/57/59/18/992575918.db2.gz PRWUBVCGBORXTB-UHFFFAOYSA-N -1 0 344.798 3.583 20 0 EHADRM CC(C)Cc1ccc(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)s1 ZINC001591477658 992599177 /nfs/dbraw/zinc/59/91/77/992599177.db2.gz UMTJCDDCIGFEQI-INIZCTEOSA-N -1 0 343.448 3.771 20 0 EHADRM CC(C)Cc1ccc(CCCC(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)cc1 ZINC001591483202 992600881 /nfs/dbraw/zinc/60/08/81/992600881.db2.gz BWLZSDZKQCFEGN-VQIMIIECSA-N -1 0 345.483 3.777 20 0 EHADRM CC(C)Cc1ccc(CC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001591484876 992613044 /nfs/dbraw/zinc/61/30/44/992613044.db2.gz VYCXQWCHPFCFLU-UHFFFAOYSA-N -1 0 329.371 3.904 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)N(C2CC2)C2(C(=O)[O-])CCC2)cc1 ZINC001591488263 992616013 /nfs/dbraw/zinc/61/60/13/992616013.db2.gz DYINWPXXIRZBGZ-HNNXBMFYSA-N -1 0 343.467 3.987 20 0 EHADRM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001598516953 992627242 /nfs/dbraw/zinc/62/72/42/992627242.db2.gz VRELTLBRCDBGRF-UHFFFAOYSA-N -1 0 341.411 3.741 20 0 EHADRM CC(C)Cc1ncc(C(=O)Nc2cccc(C(=O)[O-])c2Cl)s1 ZINC001591496987 992630888 /nfs/dbraw/zinc/63/08/88/992630888.db2.gz QDGZTGIHPNFELX-UHFFFAOYSA-N -1 0 338.816 3.946 20 0 EHADRM CN(Cc1ccc(Cl)c(F)c1)Cc1ccc(C(=O)[O-])cc1F ZINC001598518302 992646408 /nfs/dbraw/zinc/64/64/08/992646408.db2.gz YDLMZFPCRYPSGW-UHFFFAOYSA-N -1 0 325.742 3.948 20 0 EHADRM CC(C)Cn1ccc2c1cccc2C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001591521797 992693128 /nfs/dbraw/zinc/69/31/28/992693128.db2.gz UPULJYCNJXQMGD-UHFFFAOYSA-N -1 0 339.395 3.586 20 0 EHADRM CC(C)Cn1ncc(N[C@@H](C(=O)[O-])c2ccc(F)cc2)c1C1CC1 ZINC001591533539 992711001 /nfs/dbraw/zinc/71/10/01/992711001.db2.gz LJUVEZMKPPERCK-MRXNPFEDSA-N -1 0 331.391 3.793 20 0 EHADRM CN(Cc1ccccn1)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598530999 992780723 /nfs/dbraw/zinc/78/07/23/992780723.db2.gz MQWZWZBPNQXGNJ-CQSZACIVSA-N -1 0 325.195 3.646 20 0 EHADRM CC(C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001591596418 992821716 /nfs/dbraw/zinc/82/17/16/992821716.db2.gz BLYJQFZSHKKZCW-UHFFFAOYSA-N -1 0 329.371 3.504 20 0 EHADRM CC(C)N(Cc1cccc(Cl)c1)C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001591600752 992832450 /nfs/dbraw/zinc/83/24/50/992832450.db2.gz VIRWCZQIFFQQRE-UHFFFAOYSA-N -1 0 347.802 3.876 20 0 EHADRM CN(Cc1nc2ccccc2o1)Cc1cccc(C(=O)[O-])c1Cl ZINC001598537399 992855519 /nfs/dbraw/zinc/85/55/19/992855519.db2.gz ABJCQUJXRILMLT-UHFFFAOYSA-N -1 0 330.771 3.811 20 0 EHADRM C[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1cnn(CC2CCC2)c1 ZINC000890673126 1015767604 /nfs/dbraw/zinc/76/76/04/1015767604.db2.gz BDIGPKANPUDMES-NSHDSACASA-N -1 0 333.819 3.533 20 0 EHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000588593239 1032127018 /nfs/dbraw/zinc/12/70/18/1032127018.db2.gz ITMMLNFLYXQKED-HVCHUGMYSA-N -1 0 335.831 3.847 20 0 EHADRM COc1ccc(N(CC2CC2)C(=O)CC2(CC(=O)[O-])CCCC2)cc1 ZINC001599584355 993592467 /nfs/dbraw/zinc/59/24/67/993592467.db2.gz NHCCVFCSVBLNQT-UHFFFAOYSA-N -1 0 345.439 3.863 20 0 EHADRM COc1ccc(NC(=O)c2cc3ccccc3cc2F)c(C(=O)[O-])c1 ZINC001599594030 993725937 /nfs/dbraw/zinc/72/59/37/993725937.db2.gz QNTJIYZSFNDBRD-UHFFFAOYSA-N -1 0 339.322 3.938 20 0 EHADRM COc1ccc(NC(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1 ZINC001599594647 993733657 /nfs/dbraw/zinc/73/36/57/993733657.db2.gz WQCOLCUFNVGDPM-LBPRGKRZSA-N -1 0 328.368 3.602 20 0 EHADRM COc1ccc(NCc2ccoc2C(=O)[O-])cc1OCC(F)(F)F ZINC001599597292 993765045 /nfs/dbraw/zinc/76/50/45/993765045.db2.gz PHIGMXGUAOXAFZ-UHFFFAOYSA-N -1 0 345.273 3.540 20 0 EHADRM COc1ccc(Nc2ncc(C(=O)[O-])cn2)cc1Cc1ccccc1 ZINC001599598459 993780944 /nfs/dbraw/zinc/78/09/44/993780944.db2.gz PHCJDSUHKCULFW-UHFFFAOYSA-N -1 0 335.363 3.518 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc(C(=O)[O-])c1)c1ccc2ncsc2c1 ZINC001593118593 993831529 /nfs/dbraw/zinc/83/15/29/993831529.db2.gz PYQILXPCXBGZAI-SNVBAGLBSA-N -1 0 341.392 3.877 20 0 EHADRM CC(C)(C)O[N-]C(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000148976017 1120343994 /nfs/dbraw/zinc/34/39/94/1120343994.db2.gz FUJJULOYGRZQIY-UHFFFAOYSA-N -1 0 326.607 3.872 20 0 EHADRM C[C@@](NC(=O)c1cccc2ccsc21)(C(=O)[O-])c1ccc(F)cc1 ZINC001593176147 994052796 /nfs/dbraw/zinc/05/27/96/994052796.db2.gz MESBVKCLTOAWGY-SFHVURJKSA-N -1 0 343.379 3.770 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2C(=O)OCc2cc(C(=O)[O-])ccc2C)cc1 ZINC001599620081 994068657 /nfs/dbraw/zinc/06/86/57/994068657.db2.gz BHSKWGZXWHHJDT-ZWKOTPCHSA-N -1 0 340.375 3.549 20 0 EHADRM C[C@@H](N[C@H](C(=O)[O-])c1ccsc1)c1ccc(NC(=O)C2CC2)cc1 ZINC001593194308 994133758 /nfs/dbraw/zinc/13/37/58/994133758.db2.gz DULCWERVZVAIPM-BZNIZROVSA-N -1 0 344.436 3.573 20 0 EHADRM COc1ccc2c(c1)[C@@H](C(=O)O[C@@H](C(=O)[O-])c1ccsc1)CCC2 ZINC001599625620 994143957 /nfs/dbraw/zinc/14/39/57/994143957.db2.gz OCBHTHQRERBUGA-GOEBONIOSA-N -1 0 346.404 3.546 20 0 EHADRM C[C@@H](N[C@@H](C)c1ncc(-c2ccccc2)o1)c1ncc(C(=O)[O-])s1 ZINC001593202997 994183218 /nfs/dbraw/zinc/18/32/18/994183218.db2.gz BRODPGIXNRJGMR-WDEREUQCSA-N -1 0 343.408 3.908 20 0 EHADRM C[C@@H](N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccc(C(F)(F)F)cn1 ZINC001593204241 994198994 /nfs/dbraw/zinc/19/89/94/994198994.db2.gz OPHMSJNOLARGJB-SFYZADRCSA-N -1 0 345.346 3.667 20 0 EHADRM COc1ccc2cc(C(=O)N[C@@H](C(=O)[O-])c3cccs3)sc2c1 ZINC001599633849 994258068 /nfs/dbraw/zinc/25/80/68/994258068.db2.gz RGSVEFJWAQQZSH-CQSZACIVSA-N -1 0 347.417 3.527 20 0 EHADRM COc1ccc2cc(NC(=O)c3ccc(/C=C/C(=O)[O-])o3)ccc2c1 ZINC001599634451 994265649 /nfs/dbraw/zinc/26/56/49/994265649.db2.gz NWAWJHQNXOOZFW-VQHVLOKHSA-N -1 0 337.331 3.792 20 0 EHADRM C[C@H](N[C@H]1CCCOc2cc(F)ccc21)c1ncc(C(=O)[O-])s1 ZINC001593217900 994278392 /nfs/dbraw/zinc/27/83/92/994278392.db2.gz DIDYNXOZAJXDPN-CABZTGNLSA-N -1 0 336.388 3.545 20 0 EHADRM COc1ccc2cc(C(=O)Oc3cccc(C(=O)[O-])c3)sc2c1 ZINC001599635546 994282792 /nfs/dbraw/zinc/28/27/92/994282792.db2.gz RXISSDLLLNEGAF-UHFFFAOYSA-N -1 0 328.345 3.827 20 0 EHADRM COc1ccc2ccc(OC(=O)C3(C(=O)[O-])CC4(CCC4)C3)cc2c1 ZINC001599635709 994284566 /nfs/dbraw/zinc/28/45/66/994284566.db2.gz DOPCLZMWVNHNMO-UHFFFAOYSA-N -1 0 340.375 3.789 20 0 EHADRM COc1ccc2oc(CNCc3ccc(C(=O)[O-])cc3F)cc2c1 ZINC001599637497 994310901 /nfs/dbraw/zinc/31/09/01/994310901.db2.gz LKBWVWQUHLVGKH-UHFFFAOYSA-N -1 0 329.327 3.569 20 0 EHADRM COc1cccc(-c2ccc(OCCCC(=O)[O-])c(C)c2)c1OC ZINC001599639285 994334695 /nfs/dbraw/zinc/33/46/95/994334695.db2.gz NGQWKLFNRYYTJH-UHFFFAOYSA-N -1 0 330.380 3.923 20 0 EHADRM COc1cccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1OC(C)C ZINC001599642732 994381918 /nfs/dbraw/zinc/38/19/18/994381918.db2.gz OURKPFQMDSAJFB-UHFFFAOYSA-N -1 0 347.342 3.572 20 0 EHADRM COc1cccc([C@H](C(=O)[O-])N(C)C(=O)[C@@H](C)CC2CCCCC2)c1 ZINC001599647611 994447225 /nfs/dbraw/zinc/44/72/25/994447225.db2.gz LPYRJFVHIPXGAB-KBXCAEBGSA-N -1 0 347.455 3.886 20 0 EHADRM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)[C@H]2CCC(C)=C(C)C2)c1 ZINC001599649657 994476744 /nfs/dbraw/zinc/47/67/44/994476744.db2.gz MNYBLPPCZSYKRT-MGPUTAFESA-N -1 0 345.439 3.638 20 0 EHADRM COc1cccc(/C(C)=C\C(=O)OCc2cc(C(=O)[O-])ccc2C)c1 ZINC001599654097 994551184 /nfs/dbraw/zinc/55/11/84/994551184.db2.gz FXFSIXYORLGPHC-ZROIWOOFSA-N -1 0 340.375 3.849 20 0 EHADRM COc1cccc([C@H](C)CC(=O)N(CC(C)C)C(C)(C)C(=O)[O-])c1 ZINC001599654668 994558966 /nfs/dbraw/zinc/55/89/66/994558966.db2.gz WULHUFFSHAXEHG-CQSZACIVSA-N -1 0 335.444 3.537 20 0 EHADRM CNC(=O)c1ccc(CSc2cc(Cl)ccc2C(=O)[O-])cc1 ZINC001598658414 994560154 /nfs/dbraw/zinc/56/01/54/994560154.db2.gz YEMSJVJNAXOWCS-UHFFFAOYSA-N -1 0 335.812 3.690 20 0 EHADRM COc1cccc(C=C2CCN(Cc3cc(C(=O)[O-])c(C)[nH]3)CC2)c1 ZINC001599665655 994725150 /nfs/dbraw/zinc/72/51/50/994725150.db2.gz QZRDPHGQAPKMCT-UHFFFAOYSA-N -1 0 340.423 3.709 20 0 EHADRM C[C@H](NCc1cccc(-c2ccccn2)c1)c1ncc(C(=O)[O-])s1 ZINC001593304536 994749876 /nfs/dbraw/zinc/74/98/76/994749876.db2.gz NSABEHOLFOKKNA-LBPRGKRZSA-N -1 0 339.420 3.754 20 0 EHADRM C[C@@](NCc1nc2ccccc2n1C(F)F)(C(=O)[O-])c1ccccc1 ZINC001593316012 994809263 /nfs/dbraw/zinc/80/92/63/994809263.db2.gz DVZCNQPOPGSSHZ-SFHVURJKSA-N -1 0 345.349 3.521 20 0 EHADRM O=S(=O)(Nc1ncccc1F)c1ccccc1-c1ccccc1 ZINC000180262408 1015896265 /nfs/dbraw/zinc/89/62/65/1015896265.db2.gz FLNRWHVWYSRHEE-UHFFFAOYSA-N -1 0 328.368 3.689 20 0 EHADRM COc1cccc(O)c1C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001599680174 994966941 /nfs/dbraw/zinc/96/69/41/994966941.db2.gz DVMRLXHHRYLBMX-UHFFFAOYSA-N -1 0 337.331 3.505 20 0 EHADRM COC(=O)[C@H](C)Cc1ccc(NCc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC001598687978 995022738 /nfs/dbraw/zinc/02/27/38/995022738.db2.gz LGAKIWMQHUCBST-CQSZACIVSA-N -1 0 341.407 3.657 20 0 EHADRM COC(=O)[C@@H](C)Cc1ccc(N[C@@H](C)CC(C)(C)CC(=O)[O-])cc1 ZINC001598689144 995037205 /nfs/dbraw/zinc/03/72/05/995037205.db2.gz VDJMGNNJBWJZBT-KBPBESRZSA-N -1 0 335.444 3.730 20 0 EHADRM C[C@H](Nc1ccc(CCC(=O)[O-])cc1)[C@@H]1COc2ccccc2C1 ZINC001593363532 995037745 /nfs/dbraw/zinc/03/77/45/995037745.db2.gz SFSCYXPFZITLOO-YOEHRIQHSA-N -1 0 325.408 3.756 20 0 EHADRM C[C@@H](Nc1cccc(N2CCCCC2)c1)c1cncc(C(=O)[O-])c1 ZINC001593366515 995050837 /nfs/dbraw/zinc/05/08/37/995050837.db2.gz XVEZIDYAQPJMQH-CQSZACIVSA-N -1 0 325.412 3.943 20 0 EHADRM C[C@H](Nc1nccc(C(=O)[O-])n1)c1cccc(SC(F)(F)F)c1 ZINC001593373664 995068324 /nfs/dbraw/zinc/06/83/24/995068324.db2.gz GTTWFKYUCHBCMH-QMMMGPOBSA-N -1 0 343.330 3.960 20 0 EHADRM C[C@@](O)(CNc1ncc(C(=O)[O-])cc1C(F)(F)F)C1CCCCC1 ZINC001593417305 995204907 /nfs/dbraw/zinc/20/49/07/995204907.db2.gz RGZILKHKZZAGFQ-OAHLLOKOSA-N -1 0 346.349 3.542 20 0 EHADRM COC(=O)[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccc2ccccc2c1 ZINC001598708799 995322052 /nfs/dbraw/zinc/32/20/52/995322052.db2.gz IQGAZALTPTZMRN-IBGZPJMESA-N -1 0 349.386 3.542 20 0 EHADRM C[C@H](OC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)c1cc(C(=O)[O-])co1 ZINC001593500127 995497128 /nfs/dbraw/zinc/49/71/28/995497128.db2.gz NMSBOHYGVMVSAY-LJUAHTATSA-N -1 0 336.290 3.664 20 0 EHADRM C[C@@H](OC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC001593526416 995567697 /nfs/dbraw/zinc/56/76/97/995567697.db2.gz WKISHYKMQLLVBM-LLVKDONJSA-N -1 0 334.318 3.900 20 0 EHADRM C[C@@H](OC(=O)COc1ccc(C(C)(C)C)cc1)c1cc(C(=O)[O-])co1 ZINC001593534103 995583813 /nfs/dbraw/zinc/58/38/13/995583813.db2.gz OXMNQPWEXREKAZ-GFCCVEGCSA-N -1 0 346.379 3.959 20 0 EHADRM C[C@@H](OC(=O)Cc1ccc(C(=O)[O-])cc1)c1csc(C2CC2)n1 ZINC001593534578 995590028 /nfs/dbraw/zinc/59/00/28/995590028.db2.gz DOXCIONTWQIDNZ-SNVBAGLBSA-N -1 0 331.393 3.566 20 0 EHADRM C[C@@H](OC(=O)c1cc(C(=O)[O-])co1)[C@H](C)c1nc2ccccc2s1 ZINC001593556806 995646934 /nfs/dbraw/zinc/64/69/34/995646934.db2.gz YBGRFDVMVQZMRC-VHSXEESVSA-N -1 0 345.376 3.937 20 0 EHADRM C[C@H](OC(=O)c1ccc(C(=O)[O-])[nH]1)[C@H](C)c1nc2ccccc2s1 ZINC001593572768 995669009 /nfs/dbraw/zinc/66/90/09/995669009.db2.gz HPVAVDBYFRIKLU-UWVGGRQHSA-N -1 0 344.392 3.672 20 0 EHADRM C[C@H](OC(=O)c1ccc(C(=O)[O-])cc1F)c1nc2ccccc2o1 ZINC001593573684 995674034 /nfs/dbraw/zinc/67/40/34/995674034.db2.gz AOQCSOXMEZMRLA-VIFPVBQESA-N -1 0 329.283 3.583 20 0 EHADRM C[C@H](OC(=O)c1ccc(C(=O)[O-])o1)c1ccccc1Br ZINC001593575667 995682818 /nfs/dbraw/zinc/68/28/18/995682818.db2.gz UFXANLMCUACLBH-QMMMGPOBSA-N -1 0 339.141 3.658 20 0 EHADRM C[C@@H](OC(=O)c1ccc(C(F)F)c(F)c1)c1cc(C(=O)[O-])co1 ZINC001593579274 995694385 /nfs/dbraw/zinc/69/43/85/995694385.db2.gz WWVUOFBJVOTHQR-SSDOTTSWSA-N -1 0 328.242 3.973 20 0 EHADRM C[C@H](OC1CCCCC1)C(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC001593603049 995766973 /nfs/dbraw/zinc/76/69/73/995766973.db2.gz OSEODAURDGHNIZ-JTQLQIEISA-N -1 0 326.776 3.681 20 0 EHADRM C[C@@H](Oc1ccc(CN2CCCCC[C@H]2C(F)(F)F)cc1)C(=O)[O-] ZINC001593615681 995837042 /nfs/dbraw/zinc/83/70/42/995837042.db2.gz OTDYNOJKPWAQMT-DOMZBBRYSA-N -1 0 345.361 3.845 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)c2ccc(Cl)cc2)cc1F)C(=O)[O-] ZINC001593633789 995923741 /nfs/dbraw/zinc/92/37/41/995923741.db2.gz JIHJWVDBUPCYJT-VIFPVBQESA-N -1 0 337.734 3.583 20 0 EHADRM C[C@H](Oc1ccccc1Cl)C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001593652558 996017913 /nfs/dbraw/zinc/01/79/13/996017913.db2.gz YAVCENBAWPQFHT-NSHDSACASA-N -1 0 334.755 3.549 20 0 EHADRM C[C@@H](Oc1ccccc1CNc1cccc(-c2ncco2)c1)C(=O)[O-] ZINC001593652553 996017933 /nfs/dbraw/zinc/01/79/33/996017933.db2.gz XWRIHIXLYWJIRH-CYBMUJFWSA-N -1 0 338.363 3.806 20 0 EHADRM C[C@H](SCC(=O)N(C1CCCCC1)C1CCCCC1)C(=O)[O-] ZINC001593658729 996033612 /nfs/dbraw/zinc/03/36/12/996033612.db2.gz LBIOVRMCGCCUHN-ZDUSSCGKSA-N -1 0 327.490 3.687 20 0 EHADRM C[C@@H](Sc1ccc(F)cc1)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001593667054 996054873 /nfs/dbraw/zinc/05/48/73/996054873.db2.gz JJMWIWRCKDMBQZ-IAQYHMDHSA-N -1 0 345.395 3.521 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CCCc2ccccc21)C(=O)[O-] ZINC001593668524 996064821 /nfs/dbraw/zinc/06/48/21/996064821.db2.gz SWWCNPGJCQZLJA-ZDUSSCGKSA-N -1 0 341.432 3.845 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)N([C@@H](C)C(=O)[O-])C1CCC1 ZINC001593673218 996083153 /nfs/dbraw/zinc/08/31/53/996083153.db2.gz HWJXIKPVVWQEOW-WDEREUQCSA-N -1 0 341.860 3.675 20 0 EHADRM C[C@@H](Sc1nc(-c2ccccc2)cc(=O)[nH]1)c1ccc(C(=O)[O-])o1 ZINC001593679213 996098736 /nfs/dbraw/zinc/09/87/36/996098736.db2.gz GWQDXNMSYZQBHJ-SNVBAGLBSA-N -1 0 342.376 3.994 20 0 EHADRM CC(C)c1csc([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)n1 ZINC000255047505 1016003287 /nfs/dbraw/zinc/00/32/87/1016003287.db2.gz ZKKSHCNKYOOWJS-FPLPWBNLSA-N -1 0 326.418 3.818 20 0 EHADRM C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001593705987 996194258 /nfs/dbraw/zinc/19/42/58/996194258.db2.gz NAUMJVOUDJDYEL-LMSBXDPUSA-N -1 0 344.455 3.608 20 0 EHADRM Cc1ccc(CCC(=O)[N-]S(=O)(=O)c2ccccc2Cl)o1 ZINC000080252283 1016015823 /nfs/dbraw/zinc/01/58/23/1016015823.db2.gz IKZMVKJBSDTGGX-UHFFFAOYSA-N -1 0 327.789 3.519 20 0 EHADRM C[C@@H](c1nc(C(=O)[O-])co1)[S@@](=O)Cc1ccc(Cl)c(Cl)c1 ZINC001593729654 996292794 /nfs/dbraw/zinc/29/27/94/996292794.db2.gz LHNTXKFRFBTCQN-SGWXMTNESA-N -1 0 348.207 3.690 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)N(CCC(=O)[O-])CC2CC2)cc1 ZINC000683304129 1016020878 /nfs/dbraw/zinc/02/08/78/1016020878.db2.gz GGJCCWZJWVCAEV-ARJAWSKDSA-N -1 0 329.440 3.927 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)Nc2csnc2-c2ccccc2)C1 ZINC001593771480 996465467 /nfs/dbraw/zinc/46/54/67/996465467.db2.gz SJRFNDNHJXQXEH-KRWDZBQOSA-N -1 0 345.424 3.529 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)Nc2cc(Cl)c(Cl)cc2F)C1 ZINC001593771550 996465639 /nfs/dbraw/zinc/46/56/39/996465639.db2.gz UUFMPMCAWSYDCL-AWEZNQCLSA-N -1 0 349.189 3.851 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)C1 ZINC001593773265 996471778 /nfs/dbraw/zinc/47/17/78/996471778.db2.gz XWYVYNJCOVBAQS-AWEZNQCLSA-N -1 0 349.736 3.686 20 0 EHADRM CC1(C)C[C@@H](C(=O)N(CC(=O)[O-])C2CCCCC2)c2ccccc2O1 ZINC001593847115 996612765 /nfs/dbraw/zinc/61/27/65/996612765.db2.gz FOZMXUKPFFCNEE-MRXNPFEDSA-N -1 0 345.439 3.577 20 0 EHADRM CC(C)(NC(=O)C1CC(C)(C)CC(C)(C)C1)c1nocc1C(=O)[O-] ZINC001593847598 996615056 /nfs/dbraw/zinc/61/50/56/996615056.db2.gz RBPCLWFPYOMRTQ-UHFFFAOYSA-N -1 0 336.432 3.577 20 0 EHADRM CC1(C)C[C@@H](c2ccccc2)N(C(=O)Nc2ccc(C(=O)[O-])cn2)C1 ZINC001593864360 996666159 /nfs/dbraw/zinc/66/61/59/996666159.db2.gz SXJUALLCQUXROP-HNNXBMFYSA-N -1 0 339.395 3.785 20 0 EHADRM CC1(C)CCC(C)(C)c2cc(C(=O)Nc3[nH]cnc3C(=O)[O-])ccc21 ZINC001593874450 996690403 /nfs/dbraw/zinc/69/04/03/996690403.db2.gz VABORDNZJUAJLW-UHFFFAOYSA-N -1 0 341.411 3.709 20 0 EHADRM CC1(C)CC[C@@H](C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)C1 ZINC001593875119 996693398 /nfs/dbraw/zinc/69/33/98/996693398.db2.gz XVXNZQMLBIKQAF-SECBINFHSA-N -1 0 340.217 3.912 20 0 EHADRM CC1(C)CC[C@@H]1C(=O)Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1 ZINC001593883763 996718096 /nfs/dbraw/zinc/71/80/96/996718096.db2.gz SLCHKYBUVAJXTG-GFCCVEGCSA-N -1 0 330.409 3.883 20 0 EHADRM CC1(C)CCC[C@@H](CNC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)C1 ZINC001593888344 996731930 /nfs/dbraw/zinc/73/19/30/996731930.db2.gz XDYFKKMXDUIAJL-PBHICJAKSA-N -1 0 344.455 3.596 20 0 EHADRM CC1(C)CCC[C@](NC(=O)c2cccc(Cl)c2F)(C(=O)[O-])C1 ZINC001593892002 996738622 /nfs/dbraw/zinc/73/86/22/996738622.db2.gz IGBJXLCMVCCYPT-MRXNPFEDSA-N -1 0 327.783 3.633 20 0 EHADRM COC(=O)N(C)Cc1ccc(N[C@@H](C)c2cc(C(=O)[O-])cs2)cc1 ZINC001598877389 996771910 /nfs/dbraw/zinc/77/19/10/996771910.db2.gz GZZZYMDFBWSMOJ-NSHDSACASA-N -1 0 348.424 3.818 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc3c(n2)CCCC3)ccc1Cl ZINC000683312271 1016067252 /nfs/dbraw/zinc/06/72/52/1016067252.db2.gz AWYBXPBQSHAJQP-UHFFFAOYSA-N -1 0 330.771 3.564 20 0 EHADRM COc1ccc(C(=O)Nc2cc(C(=O)[O-])ccn2)cc1-c1ccccc1 ZINC001599485475 996841158 /nfs/dbraw/zinc/84/11/58/996841158.db2.gz BHSJVRLTOFOQDO-UHFFFAOYSA-N -1 0 348.358 3.708 20 0 EHADRM CC1(C)CN(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])CC(C)(C)C1 ZINC001593936676 996920471 /nfs/dbraw/zinc/92/04/71/996920471.db2.gz RSTCUPXJEGASEV-UHFFFAOYSA-N -1 0 342.439 3.693 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@@H]2[C@H](C)[C@H]2c2ccccc2)c1F ZINC001599490176 996923764 /nfs/dbraw/zinc/92/37/64/996923764.db2.gz SZEXMFHVXZWCDK-WKPIXPDZSA-N -1 0 343.354 3.521 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1ccccc1C(F)(F)F ZINC001599386286 996951028 /nfs/dbraw/zinc/95/10/28/996951028.db2.gz KUTUVNSJZCDSBP-UHFFFAOYSA-N -1 0 339.269 3.665 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)c2nsc3ccc(C)cc32)c1 ZINC001599491778 996952184 /nfs/dbraw/zinc/95/21/84/996952184.db2.gz CGWHJDULJVLWQO-UHFFFAOYSA-N -1 0 343.360 3.531 20 0 EHADRM COc1cc(C(=O)OCc2cccc(C(=O)[O-])c2)ccc1OC(C)C ZINC001599387182 996967459 /nfs/dbraw/zinc/96/74/59/996967459.db2.gz FHTGQCBTZDNMAU-UHFFFAOYSA-N -1 0 344.363 3.538 20 0 EHADRM COCc1cc(NC(=O)N[C@@H](C)[C@@H]2CCC[C@@H](C)C2)cc(C(=O)[O-])c1 ZINC001599286265 996983456 /nfs/dbraw/zinc/98/34/56/996983456.db2.gz PIHOBZGJTWEQHH-VNHYZAJKSA-N -1 0 348.443 3.868 20 0 EHADRM CC(C)(CCNC(=O)CCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000655546709 1016083039 /nfs/dbraw/zinc/08/30/39/1016083039.db2.gz KKFRKZWHSGHBQT-UHFFFAOYSA-N -1 0 332.227 3.543 20 0 EHADRM COCc1cc(NC(=O)c2ccccc2CC(C)C)cc(C(=O)[O-])c1 ZINC001599288872 997027508 /nfs/dbraw/zinc/02/75/08/997027508.db2.gz VTRVPSZFLGBPBL-UHFFFAOYSA-N -1 0 341.407 3.982 20 0 EHADRM COCc1cc(NCc2ccnc(Cl)c2Cl)cc(C(=O)[O-])c1 ZINC001599290061 997049497 /nfs/dbraw/zinc/04/94/97/997049497.db2.gz ZLLCPDDOQKZNFA-UHFFFAOYSA-N -1 0 341.194 3.845 20 0 EHADRM CC1(C)COc2c1cccc2C(=O)Nc1c(F)ccc(F)c1C(=O)[O-] ZINC001593961243 997089444 /nfs/dbraw/zinc/08/94/44/997089444.db2.gz PPCWRASLIBSPNH-UHFFFAOYSA-N -1 0 347.317 3.585 20 0 EHADRM CC1(C)Cc2ccc(Cl)cc2[C@@H]1OC(=O)c1cc(C(=O)[O-])ccn1 ZINC001593964372 997095818 /nfs/dbraw/zinc/09/58/18/997095818.db2.gz ASNHDZNQHXPSNY-HNNXBMFYSA-N -1 0 345.782 3.914 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1ccnc2ccccc21 ZINC001599397353 997152083 /nfs/dbraw/zinc/15/20/83/997152083.db2.gz DPLABVXWDGJAEU-CLFYSBASSA-N -1 0 349.342 3.560 20 0 EHADRM COCc1cccc(COc2cc(/C=C/C(=O)[O-])ccc2OC)c1 ZINC001599298369 997187613 /nfs/dbraw/zinc/18/76/13/997187613.db2.gz UJALAPSZTNTIKH-VQHVLOKHSA-N -1 0 328.364 3.518 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1ccc2ncccc2c1 ZINC001599400198 997200925 /nfs/dbraw/zinc/20/09/25/997200925.db2.gz RYTAPYMRAZUBOC-UITAMQMPSA-N -1 0 349.342 3.560 20 0 EHADRM COc1ccc([C@@H](C)N[C@@H](C)c2ncc(C(=O)[O-])s2)cc1Cl ZINC001599508159 997248710 /nfs/dbraw/zinc/24/87/10/997248710.db2.gz CTCKJPBODJINHC-BDAKNGLRSA-N -1 0 340.832 3.915 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)C[C@@H]2CCCCC2(C)C)cc1 ZINC001599509659 997274711 /nfs/dbraw/zinc/27/47/11/997274711.db2.gz IGWWPOPWBITPSA-DOTOQJQBSA-N -1 0 347.455 3.934 20 0 EHADRM C[C@]1(CC(=O)N[C@H](CCC(=O)[O-])c2ccccc2)CC1(Cl)Cl ZINC001593998357 997326250 /nfs/dbraw/zinc/32/62/50/997326250.db2.gz XMROJHVXQJDKHQ-DOMZBBRYSA-N -1 0 344.238 3.683 20 0 EHADRM C[C@](NC(=O)CCC1(C)CC1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593999189 997336374 /nfs/dbraw/zinc/33/63/74/997336374.db2.gz GMYNMYHMPQYGLG-MRXNPFEDSA-N -1 0 344.238 3.990 20 0 EHADRM CC1(CC(F)(F)F)CN(c2ncc(C(=O)[O-])cc2C(F)(F)F)C1 ZINC001593999151 997337147 /nfs/dbraw/zinc/33/71/47/997337147.db2.gz FVPPPCOGIWKEHD-UHFFFAOYSA-N -1 0 342.239 3.577 20 0 EHADRM CON(C(=O)CC(C)(C)Cc1ccc(Cl)cc1)[C@@H](C)CC(=O)[O-] ZINC001599313657 997460217 /nfs/dbraw/zinc/46/02/17/997460217.db2.gz XUXSYJOHLFGMMT-LBPRGKRZSA-N -1 0 341.835 3.552 20 0 EHADRM COc1ccc([C@H](NC(=O)/C(C)=C/C2CCC(C)CC2)C(=O)[O-])cc1 ZINC001599521606 997490470 /nfs/dbraw/zinc/49/04/70/997490470.db2.gz XJTMDSVQCYPTMP-PVZOISRESA-N -1 0 345.439 3.710 20 0 EHADRM COc1cc(COc2ccccc2[C@@H](OC)C(=O)[O-])ccc1SC ZINC001599416677 997524148 /nfs/dbraw/zinc/52/41/48/997524148.db2.gz CQZBUYCAOKRZMC-QGZVFWFLSA-N -1 0 348.420 3.768 20 0 EHADRM CON(Cc1ccc(C)o1)[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001599318100 997534356 /nfs/dbraw/zinc/53/43/56/997534356.db2.gz DUCOVCSIRIAEEZ-AWEZNQCLSA-N -1 0 343.301 3.796 20 0 EHADRM COc1cc(Cl)c(Cl)cc1C(=O)N[C@H](CC(C)(C)C)C(=O)[O-] ZINC001599418958 997561063 /nfs/dbraw/zinc/56/10/63/997561063.db2.gz RPNLWVZIFDTIFU-LLVKDONJSA-N -1 0 348.226 3.621 20 0 EHADRM COc1cc(Cl)c(Cl)cc1NC(=O)c1oc(C(=O)[O-])cc1C ZINC001599419252 997565724 /nfs/dbraw/zinc/56/57/24/997565724.db2.gz ACGTTZURPPATQZ-UHFFFAOYSA-N -1 0 344.150 3.854 20 0 EHADRM COc1cc(Cl)c(F)cc1NCc1ccc(OCC(=O)[O-])cc1 ZINC001599419359 997567131 /nfs/dbraw/zinc/56/71/31/997567131.db2.gz FRNPFBBQMGFIKP-UHFFFAOYSA-N -1 0 339.750 3.563 20 0 EHADRM COc1cc(Cl)cc(C(=O)Nc2c(F)ccc(F)c2C(=O)[O-])c1 ZINC001599419825 997574380 /nfs/dbraw/zinc/57/43/80/997574380.db2.gz NRFLWARNEMXMJJ-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM COc1cc(Cl)cc(C(=O)N[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)c1 ZINC001599419842 997574862 /nfs/dbraw/zinc/57/48/62/997574862.db2.gz OMMUIMVMRJWWCM-MRXNPFEDSA-N -1 0 347.798 3.521 20 0 EHADRM COc1cc(Cl)ccc1-c1noc(-c2ccc(C(=O)[O-])cc2F)n1 ZINC001599420278 997581919 /nfs/dbraw/zinc/58/19/19/997581919.db2.gz CEGLLSGWVBYINU-UHFFFAOYSA-N -1 0 348.717 3.903 20 0 EHADRM COc1cc(Cl)ccc1CN[C@@H](C)c1ccccc1OCC(=O)[O-] ZINC001599421382 997601149 /nfs/dbraw/zinc/60/11/49/997601149.db2.gz QFOICXPBYYKYBH-LBPRGKRZSA-N -1 0 349.814 3.663 20 0 EHADRM CO[C@@H]1CCCC[C@@H]1C(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001599116419 997661537 /nfs/dbraw/zinc/66/15/37/997661537.db2.gz WDWYHDCOZXUBDF-GVDBMIGSSA-N -1 0 332.396 3.511 20 0 EHADRM COc1ccc([C@H](Nc2nc(C)cc(C(=O)[O-])n2)c2ccccc2)cc1 ZINC001599531622 997664751 /nfs/dbraw/zinc/66/47/51/997664751.db2.gz IPSLJIYNNJSLSD-GOSISDBHSA-N -1 0 349.390 3.693 20 0 EHADRM C[C@]1(Cc2noc([C@H]3CCC[C@@H](C(=O)[O-])C3)n2)CC1(Cl)Cl ZINC001594044070 997685505 /nfs/dbraw/zinc/68/55/05/997685505.db2.gz WVEUSTAJGWPFAV-RWEMILLDSA-N -1 0 333.215 3.554 20 0 EHADRM COCCCCC(=O)OCc1c(C(=O)[O-])sc2cccc(F)c21 ZINC001599224075 997724482 /nfs/dbraw/zinc/72/44/82/997724482.db2.gz OAYQFJUXSNQCER-UHFFFAOYSA-N -1 0 340.372 3.599 20 0 EHADRM COc1c(C)cc(Cl)cc1NC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001599330716 997743254 /nfs/dbraw/zinc/74/32/54/997743254.db2.gz ASDDMYRBGPNJIM-ONEGZZNKSA-N -1 0 335.743 3.600 20 0 EHADRM COc1c(Cl)cccc1CNC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001599334547 997810946 /nfs/dbraw/zinc/81/09/46/997810946.db2.gz UDUQPZBADDXKBK-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM COc1c(NC(=O)CCc2cc(Cl)cs2)cccc1C(=O)[O-] ZINC001599337406 997861487 /nfs/dbraw/zinc/86/14/87/997861487.db2.gz NMBSBALKDLENJY-UHFFFAOYSA-N -1 0 339.800 3.680 20 0 EHADRM COc1cc(NC(=O)N[C@H](CC(=O)[O-])c2cccs2)c(C)cc1C ZINC001599436855 997862777 /nfs/dbraw/zinc/86/27/77/997862777.db2.gz JGKHHPRZFPOGFI-CYBMUJFWSA-N -1 0 348.424 3.711 20 0 EHADRM COCCN(C(=O)c1cc(C)cc(C(=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC001599232306 997883670 /nfs/dbraw/zinc/88/36/70/997883670.db2.gz JIGAESDKDGETFJ-HNNXBMFYSA-N -1 0 341.407 3.543 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccnn2[C@H](C)CC(C)C)c(C)s1 ZINC000340041508 1016165429 /nfs/dbraw/zinc/16/54/29/1016165429.db2.gz YQTXUSHRWIJQQT-LLVKDONJSA-N -1 0 341.502 3.969 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OCC(=O)CC(C)(C)C1CC1 ZINC001599545641 997917621 /nfs/dbraw/zinc/91/76/21/997917621.db2.gz PBRPWJGFQAYACC-UITAMQMPSA-N -1 0 332.396 3.567 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1ccc(C(F)F)o1 ZINC001599546443 997931291 /nfs/dbraw/zinc/93/12/91/997931291.db2.gz NVPSPHWHZHRUIB-XVNBXDOJSA-N -1 0 338.262 3.543 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)c1c(C)cccc1Cl ZINC001599546509 997931413 /nfs/dbraw/zinc/93/14/13/997931413.db2.gz OYJCPJODEOKMKW-CLFYSBASSA-N -1 0 346.766 3.974 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1Oc1nc(CC(C)C)ns1 ZINC001599547592 997949700 /nfs/dbraw/zinc/94/97/00/997949700.db2.gz WAKGDERGAMMIQE-FNORWQNLSA-N -1 0 334.397 3.635 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1Oc1ccc(C(F)(F)F)cn1 ZINC001599547873 997954642 /nfs/dbraw/zinc/95/46/42/997954642.db2.gz ZTXZRDVWUBYTAN-CLTKARDFSA-N -1 0 339.269 3.999 20 0 EHADRM COc1cc(NCc2ccc(C(=O)[O-])c(C)c2)c(Cl)c(OC)c1 ZINC001599443305 997965822 /nfs/dbraw/zinc/96/58/22/997965822.db2.gz GDJJNFVSKUTGMN-UHFFFAOYSA-N -1 0 335.787 3.976 20 0 EHADRM COc1ccc(CC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c(C)c1 ZINC001599548993 997972317 /nfs/dbraw/zinc/97/23/17/997972317.db2.gz YVUCAKLMNLLCFQ-UHFFFAOYSA-N -1 0 333.771 3.536 20 0 EHADRM COc1cc(OC(=O)c2cc(C)oc2C(F)(F)F)ccc1C(=O)[O-] ZINC001599447354 998029955 /nfs/dbraw/zinc/02/99/55/998029955.db2.gz IZGCXTYTLZBTEP-UHFFFAOYSA-N -1 0 344.241 3.533 20 0 EHADRM CC1=C(C(=O)[O-])[C@H](c2cccc(Cl)c2Cl)NC(=O)N1C1CC1 ZINC001594098044 998077047 /nfs/dbraw/zinc/07/70/47/998077047.db2.gz OQYXNIPVVALBDY-ZDUSSCGKSA-N -1 0 341.194 3.581 20 0 EHADRM CO[C@@H]1Cc2ccc(NCc3ccc(C(=O)[O-])c(Cl)c3)cc2C1 ZINC001599138426 998084927 /nfs/dbraw/zinc/08/49/27/998084927.db2.gz LJLKHGCSUOLCLK-OAHLLOKOSA-N -1 0 331.799 3.764 20 0 EHADRM COC(=O)c1cc(NC(=O)c2cccc(C(C)C)c2)ccc1C(=O)[O-] ZINC001598948450 998099747 /nfs/dbraw/zinc/09/97/47/998099747.db2.gz YOLGBDPUPFQELP-UHFFFAOYSA-N -1 0 341.363 3.547 20 0 EHADRM COC(=O)c1cc(NCc2cccc(F)c2Cl)ccc1C(=O)[O-] ZINC001598948552 998101907 /nfs/dbraw/zinc/10/19/07/998101907.db2.gz XMLNAKAQPQRITB-UHFFFAOYSA-N -1 0 337.734 3.576 20 0 EHADRM COc1ccc(CN(C)Cc2cc(C(=O)[O-])c(C(C)C)[nH]2)cc1F ZINC001599558906 998150963 /nfs/dbraw/zinc/15/09/63/998150963.db2.gz OLCPUNGTVPBRAN-UHFFFAOYSA-N -1 0 334.391 3.616 20 0 EHADRM COc1cc(OCc2cccc(OC(F)(F)F)c2)ccc1C(=O)[O-] ZINC001599456194 998192424 /nfs/dbraw/zinc/19/24/24/998192424.db2.gz AIFPHEOJIMFVBF-UHFFFAOYSA-N -1 0 342.269 3.871 20 0 EHADRM COc1cc(OCc2ccc(Br)s2)ccc1C(=O)[O-] ZINC001599456578 998198565 /nfs/dbraw/zinc/19/85/65/998198565.db2.gz FGQYFMDVJKJUIR-UHFFFAOYSA-N -1 0 343.198 3.796 20 0 EHADRM CC1=CCCN(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)C1 ZINC001594113181 998221071 /nfs/dbraw/zinc/22/10/71/998221071.db2.gz IQRZVELJPJNUHS-UHFFFAOYSA-N -1 0 343.427 3.559 20 0 EHADRM COc1ccc(CN2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)c(F)c1 ZINC001599564670 998263807 /nfs/dbraw/zinc/26/38/07/998263807.db2.gz PQOXVVUDOPRUEB-ROUUACIJSA-N -1 0 329.371 3.625 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](c1ccc(F)cc1)C(C)C ZINC001599370126 998395970 /nfs/dbraw/zinc/39/59/70/998395970.db2.gz GBYLFXAOANAGJF-QGZVFWFLSA-N -1 0 345.370 3.911 20 0 EHADRM COC[C@H](C)[C@H](C)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC001599157733 998402465 /nfs/dbraw/zinc/40/24/65/998402465.db2.gz JOMMYKSEJLITHA-UWVGGRQHSA-N -1 0 327.446 3.601 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)NC[C@@H]1CCC[C@@H](C)[C@H]1C ZINC001599373689 998452750 /nfs/dbraw/zinc/45/27/50/998452750.db2.gz RYUNUKHJOLGGTJ-BZPMIXESSA-N -1 0 334.416 3.587 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1cc2c(o1)c(F)ccc2C ZINC001599374597 998467554 /nfs/dbraw/zinc/46/75/54/998467554.db2.gz SHTHUXZYTOSJEB-UHFFFAOYSA-N -1 0 343.310 3.839 20 0 EHADRM COc1ccc(Cl)cc1CSCc1nc(C(=O)[O-])cs1 ZINC001599578202 998481150 /nfs/dbraw/zinc/48/11/50/998481150.db2.gz QXEFFTPWZBTFTA-UHFFFAOYSA-N -1 0 329.830 3.937 20 0 EHADRM COc1ccc(Cl)cc1CNC(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC001599578251 998482697 /nfs/dbraw/zinc/48/26/97/998482697.db2.gz YNGUQMQNIVISFA-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM COC[C@@H](CC(C)(C)C)Nc1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001599162593 998484007 /nfs/dbraw/zinc/48/40/07/998484007.db2.gz CAGQUFYFTLAJNB-SECBINFHSA-N -1 0 334.338 3.662 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC001599378704 998531340 /nfs/dbraw/zinc/53/13/40/998531340.db2.gz ZVDVJDHNTSKKDP-UHFFFAOYSA-N -1 0 346.766 3.684 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC001599378735 998532437 /nfs/dbraw/zinc/53/24/37/998532437.db2.gz FGWKERPKDWCFCO-UHFFFAOYSA-N -1 0 339.347 3.711 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001594153480 998546619 /nfs/dbraw/zinc/54/66/19/998546619.db2.gz NFQOKKGBBWZEAA-GGZOMVNGSA-N -1 0 348.296 3.586 20 0 EHADRM COC(=O)c1ccc(CNc2cc(C(=O)[O-])c(C)cc2C)cc1F ZINC001598975290 998591402 /nfs/dbraw/zinc/59/14/02/998591402.db2.gz BNVDVUUDOUUOBM-UHFFFAOYSA-N -1 0 331.343 3.539 20 0 EHADRM COCOc1ccc(CCC(=O)[O-])cc1NC(=O)/C=C(/C)C(C)(C)C ZINC001599274639 998593063 /nfs/dbraw/zinc/59/30/63/998593063.db2.gz ISWOPZCKSRLCGW-RAXLEYEMSA-N -1 0 349.427 3.617 20 0 EHADRM C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1ccccc1CCC(=O)[O-] ZINC001594173125 998664884 /nfs/dbraw/zinc/66/48/84/998664884.db2.gz LBBFIBALDRSWPP-SMDDNHRTSA-N -1 0 343.345 3.507 20 0 EHADRM C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(C(=O)[O-])s1 ZINC001594174676 998670207 /nfs/dbraw/zinc/67/02/07/998670207.db2.gz SNRQPAMIFZWHPG-SFYZADRCSA-N -1 0 336.335 3.641 20 0 EHADRM COC(=O)c1cccc(CNc2cc(Cl)c(F)c(C(=O)[O-])c2)c1 ZINC001598994610 998767658 /nfs/dbraw/zinc/76/76/58/998767658.db2.gz RSXILDWAGVIDCV-UHFFFAOYSA-N -1 0 337.734 3.576 20 0 EHADRM C[C@H]1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3)cc2C(=O)[O-])CO1 ZINC001594203822 998784910 /nfs/dbraw/zinc/78/49/10/998784910.db2.gz QTQBHSJEEOONJC-QWHCGFSZSA-N -1 0 341.363 3.541 20 0 EHADRM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1C(=O)c1ccc(Cl)c(Cl)c1 ZINC001594206993 998795739 /nfs/dbraw/zinc/79/57/39/998795739.db2.gz VDGQCENOJFVBQD-RKDXNWHRSA-N -1 0 330.211 3.707 20 0 EHADRM C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)Nc1ccsc1C(=O)[O-] ZINC001594214976 998828459 /nfs/dbraw/zinc/82/84/59/998828459.db2.gz PTQAPZUUKMVJEH-HTQZYQBOSA-N -1 0 336.335 3.641 20 0 EHADRM C[C@H]1C[C@H](CNC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)C[C@@H](C)C1 ZINC001594223516 998862387 /nfs/dbraw/zinc/86/23/87/998862387.db2.gz WGKRQBCUDWYPNY-FICVDOATSA-N -1 0 344.455 3.525 20 0 EHADRM C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)C1CC(C(=O)[O-])C1 ZINC000683338244 1016257641 /nfs/dbraw/zinc/25/76/41/1016257641.db2.gz OZQDAKYQBMETLY-YCMKEVRSSA-N -1 0 337.419 3.984 20 0 EHADRM COC(=O)c1csc(S[C@H](C(=O)[O-])c2ccccc2Cl)n1 ZINC001599014049 998923498 /nfs/dbraw/zinc/92/34/98/998923498.db2.gz SIRKZNMYUOPADN-JTQLQIEISA-N -1 0 343.813 3.501 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C1 ZINC001594254002 998977713 /nfs/dbraw/zinc/97/77/13/998977713.db2.gz VEXKEJGPWLKUCI-YYTXDEJISA-N -1 0 343.467 3.966 20 0 EHADRM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2cc(F)cc(C(=O)[O-])c2)C1 ZINC001594265756 999029532 /nfs/dbraw/zinc/02/95/32/999029532.db2.gz HXDITZXSSANWNM-APPDUMDISA-N -1 0 345.345 3.886 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC001594270672 999046375 /nfs/dbraw/zinc/04/63/75/999046375.db2.gz YOTCHROCNJZENR-PXAZEXFGSA-N -1 0 327.355 3.747 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001594270735 999046932 /nfs/dbraw/zinc/04/69/32/999046932.db2.gz ZUNJMJLBMIEHMO-DVOMOZLQSA-N -1 0 339.395 3.578 20 0 EHADRM C[C@H]1C[C@H](c2cccnc2)N(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC001594273167 999058875 /nfs/dbraw/zinc/05/88/75/999058875.db2.gz ZJBHOMFCEQPJKT-MEDUHNTESA-N -1 0 343.358 3.534 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCc3c2cccc3C(=O)[O-])o1 ZINC001594277221 999072501 /nfs/dbraw/zinc/07/25/01/999072501.db2.gz OAJFPFHUZBHYCS-WBMJQRKESA-N -1 0 339.391 3.623 20 0 EHADRM C[C@@H]1C[C@H]1c1cc(NC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)n[nH]1 ZINC001594277667 999074521 /nfs/dbraw/zinc/07/45/21/999074521.db2.gz QWLLYGZLDBDAOF-VXNVDRBHSA-N -1 0 334.763 3.529 20 0 EHADRM CO[C@@H](C)C(=O)Nc1cccc(N[C@@H](C)c2cc(C(=O)[O-])cs2)c1 ZINC001599035715 999081758 /nfs/dbraw/zinc/08/17/58/999081758.db2.gz GVOXBPLCFXORAG-QWRGUYRKSA-N -1 0 348.424 3.593 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2ccc(C(=O)[O-])n2C)C[C@@H]1C ZINC001594291253 999122144 /nfs/dbraw/zinc/12/21/44/999122144.db2.gz FMRUTINKRXFVNL-WBTNSWJXSA-N -1 0 346.471 3.849 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)Nc2cc(-c3ccncc3)sc2C(=O)[O-])C1 ZINC001594294751 999133431 /nfs/dbraw/zinc/13/34/31/999133431.db2.gz ACPILMPTANSCIA-CMPLNLGQSA-N -1 0 330.409 3.883 20 0 EHADRM CO[C@@H](CC(C)C)C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC001599044853 999143702 /nfs/dbraw/zinc/14/37/02/999143702.db2.gz DZQUOHVZCGFCQM-LBPRGKRZSA-N -1 0 339.457 3.715 20 0 EHADRM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001594297676 999148546 /nfs/dbraw/zinc/14/85/46/999148546.db2.gz ASLLQZWROXSSBE-NEPJUHHUSA-N -1 0 335.366 3.601 20 0 EHADRM CC1CCC(N(C(=O)c2ccccc2CCC(=O)[O-])C2CC2)CC1 ZINC001594306650 999184232 /nfs/dbraw/zinc/18/42/32/999184232.db2.gz JKFLRBCGYQJUPD-UHFFFAOYSA-N -1 0 329.440 3.887 20 0 EHADRM C[C@H]1CC[C@H](NC(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)C1 ZINC001594315718 999223345 /nfs/dbraw/zinc/22/33/45/999223345.db2.gz YUSMTPIWRRZOIY-KBPBESRZSA-N -1 0 345.443 3.685 20 0 EHADRM CO[C@H](CNc1cc(C(F)(F)F)c(C(=O)[O-])cn1)C1CCCCC1 ZINC001599055824 999228992 /nfs/dbraw/zinc/22/89/92/999228992.db2.gz ROEJXGLVXXHKAL-CYBMUJFWSA-N -1 0 346.349 3.806 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)c2cc3ccccc3[nH]2)(C(=O)[O-])c2ccccc21 ZINC001594321640 999237318 /nfs/dbraw/zinc/23/73/18/999237318.db2.gz FMCWKRSEWUSBIM-ZSEKCTLFSA-N -1 0 348.402 3.775 20 0 EHADRM CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001599063891 999285261 /nfs/dbraw/zinc/28/52/61/999285261.db2.gz OCXGRTHJMFOZLW-MEDUHNTESA-N -1 0 347.798 3.544 20 0 EHADRM C[C@@H]1CCC[C@H](CNC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)[C@@H]1C ZINC001594346935 999314125 /nfs/dbraw/zinc/31/41/25/999314125.db2.gz TYYWNSHDTFMZLX-KLHDSHLOSA-N -1 0 338.492 3.591 20 0 EHADRM C[C@@H]1CCC[C@@H](NC(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC001594352811 999336302 /nfs/dbraw/zinc/33/63/02/999336302.db2.gz QUPOCLKVIUBGSX-UKRRQHHQSA-N -1 0 345.443 3.685 20 0 EHADRM C[C@@H]1CCCC[C@H]1NC(=S)Nc1ccc2c(c1)[nH]cc2C(=O)[O-] ZINC001594369837 999392536 /nfs/dbraw/zinc/39/25/36/999392536.db2.gz APHUMUGPARBMAA-QMTHXVAHSA-N -1 0 331.441 3.731 20 0 EHADRM C[C@@H]1CCCC[C@@H]1OCCNc1ncc(C(=O)[O-])cc1C(F)(F)F ZINC001594371474 999400961 /nfs/dbraw/zinc/40/09/61/999400961.db2.gz APJQRVBGOXTYGD-MFKMUULPSA-N -1 0 346.349 3.806 20 0 EHADRM C[C@H]1CCCC[C@H]1NC(=S)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001594371597 999401693 /nfs/dbraw/zinc/40/16/93/999401693.db2.gz WZPHCBWBVHLADZ-QPUJVOFHSA-N -1 0 328.384 3.528 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)N2CC[C@@H](C)C[C@H]2C(=O)[O-])cc1 ZINC001594396135 999492596 /nfs/dbraw/zinc/49/25/96/999492596.db2.gz JPORSGKAUSEFJR-WZYSVALVSA-N -1 0 329.440 3.925 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc(C(=O)[O-])ccc2Cl)c2c(O)cccc21 ZINC001594407214 999526550 /nfs/dbraw/zinc/52/65/50/999526550.db2.gz PLKKNBNOGDESLM-JTQLQIEISA-N -1 0 345.782 3.898 20 0 EHADRM C[C@H]1CCN(Cc2nc3cc(C(=O)[O-])ccc3[nH]2)[C@@H](c2ccco2)C1 ZINC001594427828 999599674 /nfs/dbraw/zinc/59/96/74/999599674.db2.gz YAFFXNBHAUQHSE-BLLLJJGKSA-N -1 0 339.395 3.827 20 0 EHADRM C[C@@H]1CCc2ccccc2N1C(=O)CSc1ccc(C(=O)[O-])cc1 ZINC001594444815 999635521 /nfs/dbraw/zinc/63/55/21/999635521.db2.gz AXURBQDPOKQOEK-CYBMUJFWSA-N -1 0 341.432 3.845 20 0 EHADRM CC(C)[C@H](CNC(=O)[C@H](C)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000655573403 1016359742 /nfs/dbraw/zinc/35/97/42/1016359742.db2.gz REXZPEPUUPIOIU-ZJUUUORDSA-N -1 0 332.227 3.570 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000007053217 1016432200 /nfs/dbraw/zinc/43/22/00/1016432200.db2.gz ZHRFSERPIAMPML-UHFFFAOYSA-N -1 0 329.780 3.679 20 0 EHADRM Cc1ccc(-c2n[n-]c(=NCc3c[nH]nc3-c3cccs3)o2)s1 ZINC000376561062 1016468116 /nfs/dbraw/zinc/46/81/16/1016468116.db2.gz JIMPKBGZKBLCIL-UHFFFAOYSA-N -1 0 343.437 3.592 20 0 EHADRM Cc1ccc2ccccc2c1S(=O)(=O)[N-]c1nnc(CC(C)C)o1 ZINC000634657470 1016469806 /nfs/dbraw/zinc/46/98/06/1016469806.db2.gz MBJANQSUMZWUQC-UHFFFAOYSA-N -1 0 345.424 3.531 20 0 EHADRM O=S(=O)([N-]C1(C(F)(F)F)CCCCC1)c1cc(F)ccc1F ZINC000510221104 1016484224 /nfs/dbraw/zinc/48/42/24/1016484224.db2.gz FTGDUXIXJIWXJZ-UHFFFAOYSA-N -1 0 343.317 3.508 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N1CCCC[C@@H]1c1ccccc1)C(=O)[O-] ZINC000424422505 1016514967 /nfs/dbraw/zinc/51/49/67/1016514967.db2.gz MXSQEHGNCMGJDZ-DLBZAZTESA-N -1 0 332.444 3.670 20 0 EHADRM CCOc1ccc(F)c(NC(=O)CC2(CC(=O)[O-])CCCC2)c1F ZINC000340166127 1016557058 /nfs/dbraw/zinc/55/70/58/1016557058.db2.gz GCIJWUHVOIVEDP-UHFFFAOYSA-N -1 0 341.354 3.727 20 0 EHADRM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cc(C(C)(C)C)on1 ZINC000430385422 1016599713 /nfs/dbraw/zinc/59/97/13/1016599713.db2.gz IQXPUXJVICXWHE-UHFFFAOYSA-N -1 0 326.393 3.529 20 0 EHADRM COc1ccc(C(=O)[O-])cc1NCc1cccc(OC(F)(F)F)c1 ZINC000326713390 1016605599 /nfs/dbraw/zinc/60/55/99/1016605599.db2.gz AXTKBGDYOVTUFF-UHFFFAOYSA-N -1 0 341.285 3.904 20 0 EHADRM CCCCN(C(=O)NCC1(C(=O)[O-])CCC1)[C@H](C)c1ccccc1 ZINC000659420315 1016675947 /nfs/dbraw/zinc/67/59/47/1016675947.db2.gz LLESIYXWVCGBFI-OAHLLOKOSA-N -1 0 332.444 3.814 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCC[C@@H]1c1ccccc1)CC(=O)[O-] ZINC000659419238 1016676802 /nfs/dbraw/zinc/67/68/02/1016676802.db2.gz YYMJOTPEWXFQCP-DOTOQJQBSA-N -1 0 332.444 3.670 20 0 EHADRM Cc1ccc(OC[C@H](C)NC(=O)c2c(C)ccc(C)c2C(=O)[O-])cc1 ZINC000327860939 1016758340 /nfs/dbraw/zinc/75/83/40/1016758340.db2.gz KSNUECLJMBECEA-HNNXBMFYSA-N -1 0 341.407 3.507 20 0 EHADRM CCCc1nc(=NC(=O)C2(c3ccc(F)cc3)CCCC2)s[n-]1 ZINC000549112297 1016882257 /nfs/dbraw/zinc/88/22/57/1016882257.db2.gz YTLOLZFLXCTGEM-UHFFFAOYSA-N -1 0 333.432 3.502 20 0 EHADRM O=C(NCCc1cc(Cl)cc(Cl)c1)c1ccc(O)cc1F ZINC000181183245 1016910250 /nfs/dbraw/zinc/91/02/50/1016910250.db2.gz GLBUJALWJVDWFC-UHFFFAOYSA-N -1 0 328.170 3.811 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655583155 1016925852 /nfs/dbraw/zinc/92/58/52/1016925852.db2.gz CVPLACLSZIIIKB-KGYLQXTDSA-N -1 0 347.386 3.746 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655584475 1016933847 /nfs/dbraw/zinc/93/38/47/1016933847.db2.gz KGCADIKEWQZNHG-XOYOTBSWSA-N -1 0 345.483 3.753 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1cccc(Cn2ccnc2)c1 ZINC000340319552 1016938933 /nfs/dbraw/zinc/93/89/33/1016938933.db2.gz OAVDGHNCYNUELI-UHFFFAOYSA-N -1 0 327.771 3.543 20 0 EHADRM CCC1(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CCC(F)(F)CC1 ZINC000659768006 1016983527 /nfs/dbraw/zinc/98/35/27/1016983527.db2.gz UUZADCOFJUUZPC-FRRDWIJNSA-N -1 0 345.430 3.844 20 0 EHADRM CCN(C(=O)CC(c1ccccc1)c1ccccc1)[C@H](C)C(=O)[O-] ZINC000659773307 1016995882 /nfs/dbraw/zinc/99/58/82/1016995882.db2.gz QCQPHMOJBPOZDM-OAHLLOKOSA-N -1 0 325.408 3.530 20 0 EHADRM Cc1ccc(CN(Cc2ccco2)C(=O)c2cc(C(=O)[O-])co2)s1 ZINC000183775071 1032203180 /nfs/dbraw/zinc/20/31/80/1032203180.db2.gz VDMRBIRYDGEDAR-UHFFFAOYSA-N -1 0 345.376 3.783 20 0 EHADRM C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000183601199 1032208415 /nfs/dbraw/zinc/20/84/15/1032208415.db2.gz RSRWNBHNPWGICU-SOZUMNATSA-N -1 0 347.361 3.661 20 0 EHADRM CC[C@H](C(=O)N=c1nc(-c2ccsc2)[n-]s1)c1ccc(F)cc1 ZINC000461023830 1032216146 /nfs/dbraw/zinc/21/61/46/1032216146.db2.gz SQCRBLFLKJBESL-ZDUSSCGKSA-N -1 0 347.440 3.960 20 0 EHADRM CSCc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000184032747 1032228355 /nfs/dbraw/zinc/22/83/55/1032228355.db2.gz YTRKMXYCVWTYPP-UHFFFAOYSA-N -1 0 329.393 3.629 20 0 EHADRM O=C([O-])c1coc(C(=O)Nc2cc(F)ccc2SCC(F)F)c1 ZINC000183811845 1032230685 /nfs/dbraw/zinc/23/06/85/1032230685.db2.gz OKSFVFYCHDVZEW-UHFFFAOYSA-N -1 0 345.298 3.726 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@H](CCC(=O)[O-])C2)o1 ZINC000449142156 1032243847 /nfs/dbraw/zinc/24/38/47/1032243847.db2.gz SAGKVOZORFYJNS-LJIZCISZSA-N -1 0 345.439 3.610 20 0 EHADRM CC(C)Sc1ccc([C@@H](C)NC(=O)N(C)CCCC(=O)[O-])cc1 ZINC000414626713 1017075948 /nfs/dbraw/zinc/07/59/48/1017075948.db2.gz ZZTMGWCQSGKXNX-CYBMUJFWSA-N -1 0 338.473 3.754 20 0 EHADRM CCCN(C(=O)NCCCCCC(=O)[O-])[C@@H]1CCc2ccccc21 ZINC000414628331 1017078390 /nfs/dbraw/zinc/07/83/90/1017078390.db2.gz ORMUTQJFFSMWAO-QGZVFWFLSA-N -1 0 332.444 3.741 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)NCCCCCC(=O)[O-] ZINC000414627260 1017078931 /nfs/dbraw/zinc/07/89/31/1017078931.db2.gz MQNRXHJCCGFNGA-RDJZCZTQSA-N -1 0 332.444 3.609 20 0 EHADRM CCC(CC)(C(=O)Nc1ncccc1O)c1ccc(OC)c(OC)c1 ZINC000184437716 1032272577 /nfs/dbraw/zinc/27/25/77/1032272577.db2.gz INBCDWOGJYXRDU-UHFFFAOYSA-N -1 0 344.411 3.501 20 0 EHADRM CCC[C@@H]1CCCC[C@H]1NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000081345102 1032301779 /nfs/dbraw/zinc/30/17/79/1032301779.db2.gz DEHLZBOXPVILFB-NVXWUHKLSA-N -1 0 341.455 3.563 20 0 EHADRM CCC1=NO[C@@H](c2nc(=O)c3snc(-c4ccc(F)cc4)c3[n-]2)C1 ZINC000905032291 1032320378 /nfs/dbraw/zinc/32/03/78/1032320378.db2.gz GCVFGGCJPYCGNV-LLVKDONJSA-N -1 0 344.371 3.825 20 0 EHADRM Cc1cc(Cl)cnc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000461210857 1032322480 /nfs/dbraw/zinc/32/24/80/1032322480.db2.gz SEUKGESSOGTWMN-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CC[C@@H](CNC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000584387407 1032327294 /nfs/dbraw/zinc/32/72/94/1032327294.db2.gz DBVZLBKYTNRRDW-YJBOKZPZSA-N -1 0 340.423 3.648 20 0 EHADRM CCc1noc(C)c1[N-]S(=O)(=O)c1ccc(SC)c(Cl)c1 ZINC000184871294 1032328290 /nfs/dbraw/zinc/32/82/90/1032328290.db2.gz BPXCQBIDDRVNPN-UHFFFAOYSA-N -1 0 346.861 3.722 20 0 EHADRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ncc(Cl)cc1C ZINC000461224171 1032329494 /nfs/dbraw/zinc/32/94/94/1032329494.db2.gz ZKCSTYLJWUVGKV-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM Cc1cc(Cl)cnc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000461217251 1032335756 /nfs/dbraw/zinc/33/57/56/1032335756.db2.gz GOTCQFSIWOBDMB-UHFFFAOYSA-N -1 0 340.832 3.631 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc3c(cn2)CCCC3)c(Cl)c1 ZINC000461222435 1032340630 /nfs/dbraw/zinc/34/06/30/1032340630.db2.gz ABTBFTDSJOHDKF-UHFFFAOYSA-N -1 0 336.844 3.723 20 0 EHADRM O=c1nc(CN2CC[C@H]2c2ccc(Cl)cc2)[n-]c2ccsc21 ZINC000081604604 1032351366 /nfs/dbraw/zinc/35/13/66/1032351366.db2.gz NWKPUGOSPZLEAR-ZDUSSCGKSA-N -1 0 331.828 3.585 20 0 EHADRM C[C@H](CC(=O)N[C@H](CC(=O)[O-])C1CCCCC1)c1cccc(F)c1 ZINC000538502913 1032402572 /nfs/dbraw/zinc/40/25/72/1032402572.db2.gz QCUZUMGFSYRCHF-CXAGYDPISA-N -1 0 335.419 3.859 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)[C@H]1CCCc2ccccc21)C1CCCCC1 ZINC000538504950 1032401948 /nfs/dbraw/zinc/40/19/48/1032401948.db2.gz YAUUZZKWBHKEKW-ZWKOTPCHSA-N -1 0 329.440 3.646 20 0 EHADRM CC(C)C[C@H](NC(=O)C[C@]1(C(=O)[O-])CCSC1)c1cccs1 ZINC000147026414 1032411391 /nfs/dbraw/zinc/41/13/91/1032411391.db2.gz XXSFADQYLOOWIZ-BLLLJJGKSA-N -1 0 341.498 3.550 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)c1ccccc1Oc1cccc(C)c1 ZINC000263036168 1032416183 /nfs/dbraw/zinc/41/61/83/1032416183.db2.gz DBILBJTZCQIFND-UHFFFAOYSA-N -1 0 327.380 3.724 20 0 EHADRM O=C(NCc1c(F)cccc1OC(F)F)c1ccc([O-])c(Cl)c1 ZINC000084407055 1032426969 /nfs/dbraw/zinc/42/69/69/1032426969.db2.gz QDTCLLOJEQUBLQ-UHFFFAOYSA-N -1 0 345.704 3.716 20 0 EHADRM C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)NCCCCCC(=O)[O-] ZINC000414638113 1017088237 /nfs/dbraw/zinc/08/82/37/1017088237.db2.gz GPEMFDJXBODQAZ-KBXCAEBGSA-N -1 0 332.444 3.644 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cccc3ccc(C)nc32)c(C)c1 ZINC000084920464 1032467917 /nfs/dbraw/zinc/46/79/17/1032467917.db2.gz LIDGOIITFLELTQ-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000584412194 1032469442 /nfs/dbraw/zinc/46/94/42/1032469442.db2.gz WYYHJWLQYJCEIF-WMLDXEAASA-N -1 0 348.443 3.686 20 0 EHADRM O=C([O-])CCCCCNC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000414632995 1017094327 /nfs/dbraw/zinc/09/43/27/1017094327.db2.gz ZMLCIHCKYXSLOR-GOSISDBHSA-N -1 0 344.455 3.883 20 0 EHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)[C@H](C)S[C@H](C)C(=O)[O-])o1 ZINC000601989993 1032582707 /nfs/dbraw/zinc/58/27/07/1032582707.db2.gz FTWFMPTXGGAHRT-MJBXVCDLSA-N -1 0 339.457 3.627 20 0 EHADRM Cc1ccc(C)c([C@@H]2CCCN2C(=O)[C@H](C)S[C@H](C)C(=O)[O-])c1 ZINC000601998749 1032586510 /nfs/dbraw/zinc/58/65/10/1032586510.db2.gz IMBJPLYZIFWSBF-LZWOXQAQSA-N -1 0 335.469 3.562 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cc(C)c(C)s2)c(C)c1 ZINC000091014615 1032615051 /nfs/dbraw/zinc/61/50/51/1032615051.db2.gz OTPFLZZZRZRBIY-UHFFFAOYSA-N -1 0 325.455 3.873 20 0 EHADRM Cn1cc([N-]S(=O)(=O)c2ccccc2Cl)c(-c2ccccc2)n1 ZINC000091055854 1032630884 /nfs/dbraw/zinc/63/08/84/1032630884.db2.gz ZQDRJDXHGUAQEX-UHFFFAOYSA-N -1 0 347.827 3.541 20 0 EHADRM CC1(C)Cc2cc(-c3ccc4c(c3)[C@@H](C(=O)[O-])CC(=O)N4)ccc2O1 ZINC000515432665 1032665481 /nfs/dbraw/zinc/66/54/81/1032665481.db2.gz IXMDXXXGTHEIOW-HNNXBMFYSA-N -1 0 337.375 3.578 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(C(=O)c1cc(Cl)cc3ccccc31)CC2 ZINC000659120378 1017124974 /nfs/dbraw/zinc/12/49/74/1017124974.db2.gz LKTNGACVOKZKQJ-INIZCTEOSA-N -1 0 343.810 3.820 20 0 EHADRM CC[C@@H]1CC[C@@H](C)N1C(=O)N=c1[n-]nc(-c2cc(F)ccc2C)s1 ZINC000471345434 1017135932 /nfs/dbraw/zinc/13/59/32/1017135932.db2.gz GMXSPSGVDBMDNR-DGCLKSJQSA-N -1 0 348.447 3.869 20 0 EHADRM Cc1ccc([C@H]([N-]S(=O)(=O)c2sccc2C)C(F)(F)F)o1 ZINC000655660131 1017347191 /nfs/dbraw/zinc/34/71/91/1017347191.db2.gz MFLFQKUPNHXWPX-JTQLQIEISA-N -1 0 339.360 3.540 20 0 EHADRM CCOc1ccc(F)c(C(=O)[O-])c1NC(=O)N(C)Cc1ccccc1 ZINC000547934255 1017414496 /nfs/dbraw/zinc/41/44/96/1017414496.db2.gz KMPPBAXBASSJAC-UHFFFAOYSA-N -1 0 346.358 3.587 20 0 EHADRM Cc1c(C(=O)Nc2cccc(C(=O)[O-])c2C)cnn1-c1ccc(C)cc1 ZINC000642148723 1032700047 /nfs/dbraw/zinc/70/00/47/1032700047.db2.gz QXJZNYFXDDITHH-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(-c2ccccc2)[nH]1)C1CCCCC1 ZINC000537403782 1032704248 /nfs/dbraw/zinc/70/42/48/1032704248.db2.gz UGWNBAZJKCSPQS-SFHVURJKSA-N -1 0 340.423 3.835 20 0 EHADRM Nc1c2cc(Br)ccc2nn1-c1cccc(Cl)c1O ZINC001210216787 1017577700 /nfs/dbraw/zinc/57/77/00/1017577700.db2.gz OUQNCXLKRVRZOZ-UHFFFAOYSA-N -1 0 338.592 3.729 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cccc3c(C)ccnc32)c(C)c1O ZINC000547955033 1017596179 /nfs/dbraw/zinc/59/61/79/1017596179.db2.gz DDBQGQLTJHOAIU-UHFFFAOYSA-N -1 0 342.420 3.666 20 0 EHADRM Cc1ccnc(Br)c1Nc1cccc(C(=O)[O-])c1F ZINC001210240049 1017663343 /nfs/dbraw/zinc/66/33/43/1017663343.db2.gz RSDRMXZHGVPIEA-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM CCc1nc(C)c([N-]S(=O)(=O)c2cccc3c(C)ccnc32)s1 ZINC000547963036 1017713941 /nfs/dbraw/zinc/71/39/41/1017713941.db2.gz SBDUXNFWVOHHGY-UHFFFAOYSA-N -1 0 347.465 3.671 20 0 EHADRM Cc1cc(Nc2nccnc2OCc2ccccc2)ccc1C(=O)[O-] ZINC001211649970 1017912928 /nfs/dbraw/zinc/91/29/28/1017912928.db2.gz JAMRPWGHOYSBNF-UHFFFAOYSA-N -1 0 335.363 3.806 20 0 EHADRM CC(C)(CC(F)(F)F)C(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1 ZINC000659133219 1017956044 /nfs/dbraw/zinc/95/60/44/1017956044.db2.gz MVPPIIALYJOCOV-UHFFFAOYSA-N -1 0 342.317 3.643 20 0 EHADRM CCOC(=O)c1cc(Cl)cnc1Nc1ccc(C(=O)[O-])c(C)c1 ZINC001211650254 1018071463 /nfs/dbraw/zinc/07/14/63/1018071463.db2.gz WOCVLGUVKKPGHZ-UHFFFAOYSA-N -1 0 334.759 3.662 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2c([O-])cc(F)cc2F)C1 ZINC000606534374 1032741935 /nfs/dbraw/zinc/74/19/35/1032741935.db2.gz KNTIVFRJKFVREH-QWHCGFSZSA-N -1 0 331.362 3.997 20 0 EHADRM CC(=O)c1ccc(S(=O)(=O)[N-]c2nc(C(C)C)c(C)s2)cc1 ZINC000574219629 1032744419 /nfs/dbraw/zinc/74/44/19/1032744419.db2.gz XFWLVABHLMQKHN-UHFFFAOYSA-N -1 0 338.454 3.578 20 0 EHADRM O=C(N=c1[n-]nc(C2CC2)s1)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000580029966 1018226557 /nfs/dbraw/zinc/22/65/57/1018226557.db2.gz IKDCWAGITLPYRE-LBPRGKRZSA-N -1 0 348.859 3.512 20 0 EHADRM CCCC[C@@H](NC(=O)CCCSc1ccc(Cl)cc1)C(=O)[O-] ZINC000314467186 1018350618 /nfs/dbraw/zinc/35/06/18/1018350618.db2.gz LRTRNXZHQLRLSU-CQSZACIVSA-N -1 0 343.876 3.972 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)NCc1ccccc1OC1CCCC1 ZINC000653299914 1018506106 /nfs/dbraw/zinc/50/61/06/1018506106.db2.gz HNAWYOGKSBMTGC-UHFFFAOYSA-N -1 0 333.428 3.515 20 0 EHADRM C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cccc(F)c1[O-] ZINC001266564721 1018523434 /nfs/dbraw/zinc/52/34/34/1018523434.db2.gz ZAVBHEIJZWQENK-JTQLQIEISA-N -1 0 341.304 3.911 20 0 EHADRM Cc1ccc(CSCC(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC000325558204 1032782699 /nfs/dbraw/zinc/78/26/99/1032782699.db2.gz WMCVJOKZUIZXHM-UHFFFAOYSA-N -1 0 343.448 3.884 20 0 EHADRM CC(C)c1nc(=NCc2nc(-c3ccccc3F)cs2)s[n-]1 ZINC000580270570 1018901749 /nfs/dbraw/zinc/90/17/49/1018901749.db2.gz GJAJPAOVIGKNSK-UHFFFAOYSA-N -1 0 334.445 3.958 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)NC1CCC(c2ccccc2)CC1)C1CCC1 ZINC000580270428 1018902819 /nfs/dbraw/zinc/90/28/19/1018902819.db2.gz IDPSWYJGAHGLEU-ODIFPOPNSA-N -1 0 344.455 3.750 20 0 EHADRM CC(=C([O-])c1cc(C)c(C)cc1C)S(=O)(=O)Cc1ccccc1 ZINC000516866921 1018983647 /nfs/dbraw/zinc/98/36/47/1018983647.db2.gz ARBKWBVRUPVJCV-INIZCTEOSA-N -1 0 330.449 3.798 20 0 EHADRM Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000155672778 1019062586 /nfs/dbraw/zinc/06/25/86/1019062586.db2.gz XGNASTQYKYXYKX-MRVPVSSYSA-N -1 0 330.413 3.589 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nc(C(C)(C)C)co2)ccc1Cl ZINC000656182630 1019086708 /nfs/dbraw/zinc/08/67/08/1019086708.db2.gz IGYXRIPFBQDYJH-UHFFFAOYSA-N -1 0 328.821 3.735 20 0 EHADRM Cc1ccc(Oc2ccccc2CC(=O)[N-]O[C@@H]2CCCCO2)cc1 ZINC001625984446 1032807510 /nfs/dbraw/zinc/80/75/10/1032807510.db2.gz CUARNECOBRQLTA-HXUWFJFHSA-N -1 0 341.407 3.904 20 0 EHADRM Nc1cc(Br)cc2c1ccn2-c1ccccc1C(=O)[O-] ZINC001210967560 1019149046 /nfs/dbraw/zinc/14/90/46/1019149046.db2.gz JRCUVXLYQYWLPW-UHFFFAOYSA-N -1 0 331.169 3.673 20 0 EHADRM COc1cc(S(=O)(=O)[N-]c2csc3ccccc23)ccc1F ZINC000471564713 1019165892 /nfs/dbraw/zinc/16/58/92/1019165892.db2.gz GBMSVOFOPXPXLS-UHFFFAOYSA-N -1 0 337.397 3.850 20 0 EHADRM COc1cc(C(=O)[O-])cc(NCc2cc3c(cccc3F)[nH]2)c1OC ZINC000340677461 1019176928 /nfs/dbraw/zinc/17/69/28/1019176928.db2.gz JOXDNZNXDCHTGU-UHFFFAOYSA-N -1 0 344.342 3.635 20 0 EHADRM Cc1ccc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)c2[nH]ccc21 ZINC001167936684 1019227176 /nfs/dbraw/zinc/22/71/76/1019227176.db2.gz MCZWTMPWGHBONH-UHFFFAOYSA-N -1 0 342.335 3.561 20 0 EHADRM O=C([O-])CN(C(=O)Nc1ccc(C(F)(F)F)cc1)C1CCCCC1 ZINC000683920506 1019237118 /nfs/dbraw/zinc/23/71/18/1019237118.db2.gz CTHOOMDPDXMWHW-UHFFFAOYSA-N -1 0 344.333 3.957 20 0 EHADRM CC(C)Oc1ccc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)cc1 ZINC001167937388 1019249315 /nfs/dbraw/zinc/24/93/15/1019249315.db2.gz WYQDCSBLVIBTTP-UHFFFAOYSA-N -1 0 347.351 3.559 20 0 EHADRM O=C([O-])c1csc([C@H]2CCCN2c2cccc(C(F)(F)F)n2)n1 ZINC000580436091 1019363369 /nfs/dbraw/zinc/36/33/69/1019363369.db2.gz NYYTWGVIAAFDNF-SECBINFHSA-N -1 0 343.330 3.597 20 0 EHADRM CC(C)C[C@@H](NC(=O)Nc1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000580469498 1019420389 /nfs/dbraw/zinc/42/03/89/1019420389.db2.gz JOQUJCNLNYKVFN-CYBMUJFWSA-N -1 0 346.349 3.802 20 0 EHADRM CC(C)(C)c1cccc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)c1 ZINC000656231906 1019472689 /nfs/dbraw/zinc/47/26/89/1019472689.db2.gz HRCGOZXRHLRUGI-CQSZACIVSA-N -1 0 331.437 3.991 20 0 EHADRM CCc1ccc(S(=O)(=O)Nc2ccc([C@@H](C)CC(=O)[O-])cc2)cc1 ZINC000325674881 1032836308 /nfs/dbraw/zinc/83/63/08/1032836308.db2.gz MWZDABMYMGVNKU-ZDUSSCGKSA-N -1 0 347.436 3.628 20 0 EHADRM Cc1ccc(Oc2ccccc2)c(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])c1 ZINC000262150484 1019550714 /nfs/dbraw/zinc/55/07/14/1019550714.db2.gz PDOSPEKIUAHAPZ-HUUCEWRRSA-N -1 0 325.364 3.837 20 0 EHADRM Cc1ccc(Oc2ccccc2)c(NC(=O)[C@H]2CC[C@@H]2C(=O)[O-])c1 ZINC000262150478 1019551122 /nfs/dbraw/zinc/55/11/22/1019551122.db2.gz PDOSPEKIUAHAPZ-GJZGRUSLSA-N -1 0 325.364 3.837 20 0 EHADRM C[C@H]1CCCCN1C(=O)Nc1ccc(C(=O)[O-])cc1Br ZINC000071393654 1019647836 /nfs/dbraw/zinc/64/78/36/1019647836.db2.gz RUYHXJXBWHAQGW-VIFPVBQESA-N -1 0 341.205 3.554 20 0 EHADRM Cc1oc(CN(C)C(=O)C[C@@H](C)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000262540628 1019661387 /nfs/dbraw/zinc/66/13/87/1019661387.db2.gz UXZXDHRYKDBJHN-LLVKDONJSA-N -1 0 333.359 3.578 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)N[C@@H](C(=O)[O-])[C@@H](C)CC)cc1 ZINC000580609939 1019740008 /nfs/dbraw/zinc/74/00/08/1019740008.db2.gz HRZNGATVYRIPIA-SLEUVZQESA-N -1 0 338.473 3.658 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000262914688 1019765135 /nfs/dbraw/zinc/76/51/35/1019765135.db2.gz JXXXDGKLAYBSMO-ZMLRMANQSA-N -1 0 342.222 3.563 20 0 EHADRM CCC(CC)n1ncc(C(=O)Nc2ccc(C(=O)[O-])cc2OC)c1C ZINC000263012094 1019791343 /nfs/dbraw/zinc/79/13/43/1019791343.db2.gz SHJLNXUEEOFEAN-UHFFFAOYSA-N -1 0 345.399 3.512 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)CC[C@@H](C)c1ccccc1 ZINC000263039009 1019796703 /nfs/dbraw/zinc/79/67/03/1019796703.db2.gz DNOUAVMKMSIYLM-CQSZACIVSA-N -1 0 341.407 3.981 20 0 EHADRM C[C@@H]1CN(C(=O)C2(c3cccs3)CCCCC2)CC[C@@H]1C(=O)[O-] ZINC000263059494 1019801835 /nfs/dbraw/zinc/80/18/35/1019801835.db2.gz SOWZXNZPBPTQNT-KGLIPLIRSA-N -1 0 335.469 3.519 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000263074792 1019808254 /nfs/dbraw/zinc/80/82/54/1019808254.db2.gz ULZLLXXOCTYNJS-INIZCTEOSA-N -1 0 345.361 3.801 20 0 EHADRM CC[C@@H](C(=O)N[C@H](C)c1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000263204188 1019839017 /nfs/dbraw/zinc/83/90/17/1019839017.db2.gz YVZDUABRWZOERT-RDTXWAMCSA-N -1 0 341.407 3.521 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCC[C@@H]2C(C)(C)C)n1 ZINC000433993654 1019858768 /nfs/dbraw/zinc/85/87/68/1019858768.db2.gz KFKKATGHLCWERB-MRXNPFEDSA-N -1 0 345.418 3.676 20 0 EHADRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)C1CCC(F)(F)CC1 ZINC000263292169 1019865172 /nfs/dbraw/zinc/86/51/72/1019865172.db2.gz WTZHQUKASPWVRV-UHFFFAOYSA-N -1 0 345.773 3.579 20 0 EHADRM O=C(Nc1nc(CC(F)(F)F)cs1)c1coc(C(F)(F)F)n1 ZINC000635971528 1032859855 /nfs/dbraw/zinc/85/98/55/1032859855.db2.gz XQCVPNNVZFIKRA-UHFFFAOYSA-N -1 0 345.224 3.507 20 0 EHADRM Cc1cc(C(=O)N[C@H](C)[C@@H](C)C(=O)[O-])c(C)n1[C@@H](C)c1ccccc1 ZINC000263439071 1019905236 /nfs/dbraw/zinc/90/52/36/1019905236.db2.gz MADHTMOXNPTGGT-KFWWJZLASA-N -1 0 342.439 3.553 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)cc1 ZINC000317451775 1020099274 /nfs/dbraw/zinc/09/92/74/1020099274.db2.gz ZGYSUXOYXBXLTF-UHFFFAOYSA-N -1 0 343.807 3.938 20 0 EHADRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)[C@]12C[C@H]1CCC2 ZINC000693289723 1020163233 /nfs/dbraw/zinc/16/32/33/1020163233.db2.gz KPQVBILRBZDJKC-RFAUZJTJSA-N -1 0 338.201 3.584 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c(O)c1 ZINC000035081950 1032909772 /nfs/dbraw/zinc/90/97/72/1032909772.db2.gz AUMLQADMUHFNKX-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM Cc1ccc2oc(C(=O)N3[C@@H]4CCCC[C@H]4C[C@H]3C(=O)[O-])cc2c1 ZINC000261808398 1020577377 /nfs/dbraw/zinc/57/73/77/1020577377.db2.gz GDTSLQOFRHDZEW-CFVMTHIKSA-N -1 0 327.380 3.599 20 0 EHADRM CCCCn1ncc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)c1C ZINC000160857770 1020697676 /nfs/dbraw/zinc/69/76/76/1020697676.db2.gz XHYBFVAWDNNUIV-UHFFFAOYSA-N -1 0 330.413 3.674 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1Cl ZINC000050921116 1020707746 /nfs/dbraw/zinc/70/77/46/1020707746.db2.gz WUXFGHOZSBWOMD-NSHDSACASA-N -1 0 330.211 3.853 20 0 EHADRM Cc1cc2[n-]c(CC(=O)Nc3c(C)cc(C)cc3C)nc(=O)c2s1 ZINC000656492227 1020720293 /nfs/dbraw/zinc/72/02/93/1020720293.db2.gz ZOTUHCQIHFVTMA-UHFFFAOYSA-N -1 0 341.436 3.812 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@@H](C)c1c(Cl)cccc1Cl ZINC000676868384 1020809012 /nfs/dbraw/zinc/80/90/12/1020809012.db2.gz LRNFIBXQTJOGJC-UWVGGRQHSA-N -1 0 332.227 3.809 20 0 EHADRM C[C@H](NC(=O)C[C@H]1CCCC[C@@H]1C)c1ccc(OCC(=O)[O-])cc1 ZINC000581413101 1020850012 /nfs/dbraw/zinc/85/00/12/1020850012.db2.gz XGUSEJFYVQIXHV-OFQRWUPVSA-N -1 0 333.428 3.544 20 0 EHADRM COc1ccc(/C=C\c2nc3c(cccc3C(=O)[O-])o2)cc1OC ZINC000116603486 1032942026 /nfs/dbraw/zinc/94/20/26/1032942026.db2.gz NRIVWKGNXMVBRU-CLFYSBASSA-N -1 0 325.320 3.714 20 0 EHADRM O=C(C[C@H]1CSCCS1)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000760427800 1032945704 /nfs/dbraw/zinc/94/57/04/1032945704.db2.gz XWNQFDFIZGCDDD-QMMMGPOBSA-N -1 0 338.281 3.876 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)NCc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000656596426 1020979123 /nfs/dbraw/zinc/97/91/23/1020979123.db2.gz GADMXHYKFITCQB-CYBMUJFWSA-N -1 0 345.226 3.531 20 0 EHADRM COc1cccc(-n2ncc(C)c2Nc2ccc(C(=O)[O-])cc2C)c1 ZINC001211620839 1032950466 /nfs/dbraw/zinc/95/04/66/1032950466.db2.gz JRMGGHRXHOPYQW-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM O=C(Nc1nnc(C2CC2)s1)c1ncccc1Oc1ccccc1 ZINC000581586667 1021118520 /nfs/dbraw/zinc/11/85/20/1021118520.db2.gz DNIMSQZTHCQBLR-UHFFFAOYSA-N -1 0 338.392 3.855 20 0 EHADRM CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1c(C)ccc2cccnc21 ZINC000785052789 1021176185 /nfs/dbraw/zinc/17/61/85/1021176185.db2.gz RTAUKLFSZRZAGX-AWEZNQCLSA-N -1 0 348.468 3.565 20 0 EHADRM CSC1(C(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)CCC1 ZINC000426290596 1021194051 /nfs/dbraw/zinc/19/40/51/1021194051.db2.gz PPVQAHSVGSVABG-UHFFFAOYSA-N -1 0 339.873 3.505 20 0 EHADRM O=C(Nc1nc(C(F)(F)F)cs1)c1cc(F)cc(Cl)c1[O-] ZINC000436776710 1021203741 /nfs/dbraw/zinc/20/37/41/1021203741.db2.gz WTDGTDKCTMEQJO-UHFFFAOYSA-N -1 0 340.685 3.912 20 0 EHADRM CC[C@@](C)([N-]S(=O)(=O)Cc1cc(F)ccc1Cl)C(F)(F)F ZINC000656731249 1021221072 /nfs/dbraw/zinc/22/10/72/1021221072.db2.gz NEWNIWGYVIMQQN-LLVKDONJSA-N -1 0 347.761 3.630 20 0 EHADRM CCc1ccc(C)nc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000656737459 1021231279 /nfs/dbraw/zinc/23/12/79/1021231279.db2.gz HFDGDYZXGRQRNC-UHFFFAOYSA-N -1 0 344.358 3.772 20 0 EHADRM Cc1cc(F)c(S(=O)(=O)[N-]c2nccc(C)c2C2CC2)cc1F ZINC000656737942 1021234842 /nfs/dbraw/zinc/23/48/42/1021234842.db2.gz DATDQCIBIFKWJP-UHFFFAOYSA-N -1 0 338.379 3.655 20 0 EHADRM O=C(CCCOc1cccc(F)c1)Nc1ccc(F)c(F)c1[O-] ZINC001625988308 1032967842 /nfs/dbraw/zinc/96/78/42/1032967842.db2.gz VBSOIMFWQGZVKW-UHFFFAOYSA-N -1 0 325.286 3.607 20 0 EHADRM CCC[C@H](Cc1ccccc1)N(CCC)C(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC000507426985 1021259418 /nfs/dbraw/zinc/25/94/18/1021259418.db2.gz WAAWSQFLENLZPP-KZNAEPCWSA-N -1 0 331.456 3.747 20 0 EHADRM O=S(=O)([N-]c1cc2c(cn1)CCC2)c1cc(Cl)sc1Cl ZINC000581648352 1021260298 /nfs/dbraw/zinc/26/02/98/1021260298.db2.gz BBLVAKVSCCPOSA-UHFFFAOYSA-N -1 0 349.264 3.739 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2c(Cl)cccc2OC)c1 ZINC000436833913 1021267648 /nfs/dbraw/zinc/26/76/48/1021267648.db2.gz KKSAZBVXXVQZEQ-UHFFFAOYSA-N -1 0 333.771 3.899 20 0 EHADRM CN(CC[C@H]1CCCO1)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436840223 1021281411 /nfs/dbraw/zinc/28/14/11/1021281411.db2.gz OPUHJDJDDQYUNJ-GFCCVEGCSA-N -1 0 333.815 3.840 20 0 EHADRM CCCC[C@H](C(=O)[O-])N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000518546306 1021290378 /nfs/dbraw/zinc/29/03/78/1021290378.db2.gz DWOWKKMHCYEHER-HUUCEWRRSA-N -1 0 345.361 3.722 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)cc1 ZINC000048582226 1021297385 /nfs/dbraw/zinc/29/73/85/1021297385.db2.gz DDUOBQSKGGUXQA-GJZGRUSLSA-N -1 0 337.441 3.579 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)c1 ZINC000436861629 1021300800 /nfs/dbraw/zinc/30/08/00/1021300800.db2.gz LTSPNHLPGJMXDZ-UHFFFAOYSA-N -1 0 348.358 3.615 20 0 EHADRM O=C([O-])c1ccc2oc(/C=C\c3ccn(-c4ccccc4)n3)nc2c1 ZINC000439277103 1021313632 /nfs/dbraw/zinc/31/36/32/1021313632.db2.gz RSFURNNZLNIJBH-CLFYSBASSA-N -1 0 331.331 3.882 20 0 EHADRM C[C@@H]1CCC[C@@H](C)N(C(=O)c2cc(F)cc(Br)c2[O-])C1 ZINC000436891404 1021346093 /nfs/dbraw/zinc/34/60/93/1021346093.db2.gz XTMZXLRLSVSJIS-NXEZZACHSA-N -1 0 344.224 3.945 20 0 EHADRM C[C@H]1CCC[C@H](C)N(C(=O)c2cc(F)cc(Br)c2[O-])C1 ZINC000436891405 1021346671 /nfs/dbraw/zinc/34/66/71/1021346671.db2.gz XTMZXLRLSVSJIS-UWVGGRQHSA-N -1 0 344.224 3.945 20 0 EHADRM O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1F)c1cc(F)c([O-])c(Cl)c1 ZINC000436898003 1021360656 /nfs/dbraw/zinc/36/06/56/1021360656.db2.gz VURSOLABBQBYQV-ISVAXAHUSA-N -1 0 341.716 3.749 20 0 EHADRM CN(C(=O)c1ccc([O-])c(Cl)c1)[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000436962647 1021413227 /nfs/dbraw/zinc/41/32/27/1021413227.db2.gz OQVMPCPDCXIMMR-MRXNPFEDSA-N -1 0 341.798 3.630 20 0 EHADRM O=C(NCc1cc(Cl)sc1Cl)c1cc(F)c([O-])c(F)c1 ZINC000436968399 1021415030 /nfs/dbraw/zinc/41/50/30/1021415030.db2.gz UKPJAEFZVUWGQD-UHFFFAOYSA-N -1 0 338.162 3.969 20 0 EHADRM CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436954329 1021419180 /nfs/dbraw/zinc/41/91/80/1021419180.db2.gz VPFJAYUDEZGJRC-ZIAGYGMSSA-N -1 0 343.826 3.850 20 0 EHADRM C[C@H]1CCN(C(=O)Cc2cccc(C(=O)[O-])c2)[C@@H]1c1cccc(F)c1 ZINC000262072512 1021419684 /nfs/dbraw/zinc/41/96/84/1021419684.db2.gz DBOPGOOYOQSAHX-DJJJIMSYSA-N -1 0 341.382 3.676 20 0 EHADRM C[C@@H]1CCN(C(=O)Cc2cccc(C(=O)[O-])c2)[C@H]1c1cccc(F)c1 ZINC000262072507 1021420551 /nfs/dbraw/zinc/42/05/51/1021420551.db2.gz DBOPGOOYOQSAHX-BFUOFWGJSA-N -1 0 341.382 3.676 20 0 EHADRM COc1cccc([C@@H]2C[C@H](C)CN2C(=O)c2c([O-])cccc2F)c1 ZINC000436975392 1021430462 /nfs/dbraw/zinc/43/04/62/1021430462.db2.gz KERKVFRGXIZIRM-LRDDRELGSA-N -1 0 329.371 3.763 20 0 EHADRM O=C(c1ccc(Cl)cc1[O-])N1CCN(C2CC2)c2ccc(F)cc21 ZINC000436982755 1021439681 /nfs/dbraw/zinc/43/96/81/1021439681.db2.gz YOPMCQCVBMUCMK-UHFFFAOYSA-N -1 0 346.789 3.814 20 0 EHADRM COCCCC[C@H](NC(=O)c1cc(F)c([O-])c(F)c1)c1ccccc1 ZINC000436997709 1021455203 /nfs/dbraw/zinc/45/52/03/1021455203.db2.gz HKKORMGUMGLPML-KRWDZBQOSA-N -1 0 349.377 3.958 20 0 EHADRM CCOC(=O)c1sc(Nc2ccc(C(=O)[O-])cc2C)nc1C1CC1 ZINC001211621007 1032980733 /nfs/dbraw/zinc/98/07/33/1032980733.db2.gz RGXUUCUUDRZQKF-UHFFFAOYSA-N -1 0 346.408 3.947 20 0 EHADRM COC1CCC(C)(CNC(=O)c2cc(F)cc(Cl)c2[O-])CC1 ZINC000437003077 1021457300 /nfs/dbraw/zinc/45/73/00/1021457300.db2.gz RDXZEZBVOXGXDI-UHFFFAOYSA-N -1 0 329.799 3.510 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nccn2-c2ccccc2)c(Cl)c1 ZINC000430637176 1021484528 /nfs/dbraw/zinc/48/45/28/1021484528.db2.gz KQDPETSKFBHIAA-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N1CCCCC[C@@H]1c1ccccc1 ZINC000909405205 1021506744 /nfs/dbraw/zinc/50/67/44/1021506744.db2.gz UGEVHFWWASFRHE-MRXNPFEDSA-N -1 0 327.380 3.664 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC2CC2)s1 ZINC000607104043 1032987193 /nfs/dbraw/zinc/98/71/93/1032987193.db2.gz OPGIKBFZPHINGW-UHFFFAOYSA-N -1 0 341.429 3.785 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2nnc(C(C)(C)C)s2)cc1 ZINC000437174396 1021612516 /nfs/dbraw/zinc/61/25/16/1021612516.db2.gz CIZORBRRTPTMCX-UHFFFAOYSA-N -1 0 339.486 3.589 20 0 EHADRM CCCCc1nnc([N-]S(=O)(=O)c2ccc(Cl)cc2C)s1 ZINC000437164242 1021618256 /nfs/dbraw/zinc/61/82/56/1021618256.db2.gz HLAUAFKQAMHZHA-UHFFFAOYSA-N -1 0 345.877 3.643 20 0 EHADRM O=C([O-])C1(CC(=O)NCc2ccc3sccc3c2)CCCCC1 ZINC000516693048 1021651085 /nfs/dbraw/zinc/65/10/85/1021651085.db2.gz INOGTRQKJHANGJ-UHFFFAOYSA-N -1 0 331.437 3.943 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N2CCC(F)(F)C[C@H]2C)s1 ZINC000528878918 1032997252 /nfs/dbraw/zinc/99/72/52/1032997252.db2.gz GXLYPVVTWQRSCH-SECBINFHSA-N -1 0 332.420 3.515 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2ncc(C(C)(C)C)s2)cc1 ZINC000437302964 1021717298 /nfs/dbraw/zinc/71/72/98/1021717298.db2.gz GMQDAPGUONSSDB-UHFFFAOYSA-N -1 0 342.511 3.963 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1nc2c(s1)C[C@H](C)CC2 ZINC000437307611 1021719382 /nfs/dbraw/zinc/71/93/82/1021719382.db2.gz KIQRFGYUKQNVLE-SECBINFHSA-N -1 0 340.445 3.516 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ncc(C(C)(C)C)s2)c1 ZINC000437315938 1021725973 /nfs/dbraw/zinc/72/59/73/1021725973.db2.gz BMBVJVAARXQBHG-UHFFFAOYSA-N -1 0 328.434 3.689 20 0 EHADRM CC(C)c1ccc(C[C@H](C)NC(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC000439802916 1021726552 /nfs/dbraw/zinc/72/65/52/1021726552.db2.gz VXLMTQDLXBSAAR-HNNXBMFYSA-N -1 0 339.435 3.798 20 0 EHADRM Cc1cncc([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)c1 ZINC000439881707 1021796061 /nfs/dbraw/zinc/79/60/61/1021796061.db2.gz WUTFOUUQLHYSCP-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2ncccc2OC(F)F)c1 ZINC000437400083 1021796838 /nfs/dbraw/zinc/79/68/38/1021796838.db2.gz HLHITQSNHXOISI-UHFFFAOYSA-N -1 0 342.367 3.607 20 0 EHADRM CCc1cc([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)n(C)n1 ZINC000439885912 1021797654 /nfs/dbraw/zinc/79/76/54/1021797654.db2.gz DGSHJLLKSLDXIU-UHFFFAOYSA-N -1 0 349.843 3.590 20 0 EHADRM Cc1cc(NC(=O)[C@H]2C[C@@]23CCc2ccccc23)cc(C(=O)[O-])c1C ZINC000439899691 1021814673 /nfs/dbraw/zinc/81/46/73/1021814673.db2.gz WGVUDDMXHJQOMP-WIYYLYMNSA-N -1 0 335.403 3.844 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)N[C@H](C)c1ccccc1 ZINC000519066613 1021823547 /nfs/dbraw/zinc/82/35/47/1021823547.db2.gz VXWMCBVZVCNEKA-QAPCUYQASA-N -1 0 340.423 3.995 20 0 EHADRM CCOc1ccc(C[C@@H](CNC(=O)C(C)(C)CC(C)C)C(=O)[O-])cc1 ZINC000439926168 1021832849 /nfs/dbraw/zinc/83/28/49/1021832849.db2.gz VVAORLRRFARVRL-INIZCTEOSA-N -1 0 349.471 3.517 20 0 EHADRM CCc1cc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])oc1CC ZINC000439940523 1021835375 /nfs/dbraw/zinc/83/53/75/1021835375.db2.gz WLUMUPNGUAETBU-CQSZACIVSA-N -1 0 343.423 3.768 20 0 EHADRM C[C@]12CC3CC(C(=O)N4C[C@@H]5CCC[C@@]5(C(=O)[O-])C4)(C1)C[C@@](C)(C3)C2 ZINC000341440232 1021900535 /nfs/dbraw/zinc/90/05/35/1021900535.db2.gz XVQLCQOMHLVCBH-LNEJIZAXSA-N -1 0 345.483 3.696 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl)C1CCCCC1 ZINC000516988546 1021925283 /nfs/dbraw/zinc/92/52/83/1021925283.db2.gz YAFZQLBLDLVUHH-INMHGKMJSA-N -1 0 349.858 3.983 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(NC(C)(C)CCC(=O)[O-])nc2)cc1 ZINC000416430037 1021932772 /nfs/dbraw/zinc/93/27/72/1021932772.db2.gz ZBTRHFZLNMLJLD-UHFFFAOYSA-N -1 0 341.411 3.698 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)c(F)c1)c1cc(F)c(F)cc1F ZINC000519232181 1021947969 /nfs/dbraw/zinc/94/79/69/1021947969.db2.gz TWUGYXKEQAJCNU-UHFFFAOYSA-N -1 0 339.697 3.697 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CCC[C@H]1c1cccnc1 ZINC000517038651 1021966574 /nfs/dbraw/zinc/96/65/74/1021966574.db2.gz JAWHOQUZEXOUSA-AWEZNQCLSA-N -1 0 336.313 3.783 20 0 EHADRM Cc1coc2ccc(NC(=O)N[C@@H](CCOC(C)(C)C)C(=O)[O-])cc12 ZINC000517075472 1022006133 /nfs/dbraw/zinc/00/61/33/1022006133.db2.gz OVOSNMLIIZPDFU-AWEZNQCLSA-N -1 0 348.399 3.521 20 0 EHADRM O=C(c1cccc(Br)c1[O-])N1CC[C@H](c2ccccc2)C1 ZINC000519334033 1022006581 /nfs/dbraw/zinc/00/65/81/1022006581.db2.gz VHPJCTZKVAXXPX-ZDUSSCGKSA-N -1 0 346.224 3.784 20 0 EHADRM CCc1onc(C)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C)c1 ZINC000290460559 1022027016 /nfs/dbraw/zinc/02/70/16/1022027016.db2.gz FGWRTGRESFUIDK-UHFFFAOYSA-N -1 0 348.346 3.673 20 0 EHADRM CCCn1nc(C)c(-c2cccc(C(=O)C[C@@H](C)C(=O)[O-])c2)c1C ZINC000574339230 1033028627 /nfs/dbraw/zinc/02/86/27/1033028627.db2.gz CHZNWNKDCMFZQR-GFCCVEGCSA-N -1 0 328.412 3.870 20 0 EHADRM CC[C@H]1CCc2nc([N-]S(=O)(=O)c3ccsc3)sc2C1 ZINC000506824582 1022114782 /nfs/dbraw/zinc/11/47/82/1022114782.db2.gz XVVYIAFNTCNNHS-VIFPVBQESA-N -1 0 328.484 3.520 20 0 EHADRM Cc1ccc(-c2nc(CNCc3nc(C(=O)[O-])cs3)cs2)cc1 ZINC000426639547 1022124154 /nfs/dbraw/zinc/12/41/54/1022124154.db2.gz NQIJYKOZLRAHNG-UHFFFAOYSA-N -1 0 345.449 3.563 20 0 EHADRM CCC[C@@H]1[C@H](C)CCCN1C(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000437813372 1022163775 /nfs/dbraw/zinc/16/37/75/1022163775.db2.gz CKRVBEGNQNPHBM-VXGBXAGGSA-N -1 0 334.445 3.653 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)N(CC(=O)[O-])Cc2ccccc2)c1 ZINC000517273714 1022189756 /nfs/dbraw/zinc/18/97/56/1022189756.db2.gz FOBANOZOMDMFAC-AWEZNQCLSA-N -1 0 342.395 3.513 20 0 EHADRM O=C(Nc1ccc(F)c(F)c1[O-])c1cnc2c(F)ccc(F)c2c1 ZINC001625991642 1033035537 /nfs/dbraw/zinc/03/55/37/1033035537.db2.gz CQZQPUQXXJCBAQ-UHFFFAOYSA-N -1 0 336.244 3.749 20 0 EHADRM C[C@H](C(=O)N[C@H]1CCC[C@]1(C)C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000659239832 1022243537 /nfs/dbraw/zinc/24/35/37/1022243537.db2.gz WKDLJIFTOLFRSM-LUFJJVMOSA-N -1 0 344.238 3.857 20 0 EHADRM CCCCc1ccc([C@@H](NC(=O)N=c2[n-]ncs2)C(C)C)cc1 ZINC000517309700 1022249095 /nfs/dbraw/zinc/24/90/95/1022249095.db2.gz IOZGTIPFFRMPJG-HNNXBMFYSA-N -1 0 332.473 3.821 20 0 EHADRM CCc1nnc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)s1 ZINC000083955261 1022256187 /nfs/dbraw/zinc/25/61/87/1022256187.db2.gz IKYIZBHMFAEWBB-UHFFFAOYSA-N -1 0 345.449 3.568 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)N[C@@H](C)c1cc2ccccc2s1 ZINC000519524699 1022271801 /nfs/dbraw/zinc/27/18/01/1022271801.db2.gz SBZFXAKFXFMXHT-RYUDHWBXSA-N -1 0 334.441 3.857 20 0 EHADRM COc1cc(Nc2ccc(Br)c(C)n2)cc(C(=O)[O-])c1 ZINC001213582893 1022302898 /nfs/dbraw/zinc/30/28/98/1022302898.db2.gz IVUWNIPZJQBALC-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM O=S(=O)([N-]c1nc2ccccc2[nH]1)c1c(Cl)cccc1Cl ZINC000110536854 1022305418 /nfs/dbraw/zinc/30/54/18/1022305418.db2.gz QKBRYXIVOBPNMX-UHFFFAOYSA-N -1 0 342.207 3.671 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)N2CC[C@H](C)C[C@@H]2C(=O)[O-])cc1 ZINC000517485307 1022371993 /nfs/dbraw/zinc/37/19/93/1022371993.db2.gz DSQIYMNJPTVQSQ-WMLDXEAASA-N -1 0 348.443 3.829 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cc1O)c1cc(Cl)cc(Cl)c1 ZINC000111058634 1022410291 /nfs/dbraw/zinc/41/02/91/1022410291.db2.gz JTPFJXGUHBPHPJ-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM Cc1ccccc1CS(=O)(=O)[N-][C@H](c1ccccc1)C(F)(F)F ZINC000111329794 1022480768 /nfs/dbraw/zinc/48/07/68/1022480768.db2.gz HYHYSMZPTLYZNV-OAHLLOKOSA-N -1 0 343.370 3.718 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)CCc2cccc(Cl)c2)on1 ZINC000506850092 1022549283 /nfs/dbraw/zinc/54/92/83/1022549283.db2.gz VPLUZIVKMYTHNO-UHFFFAOYSA-N -1 0 342.848 3.610 20 0 EHADRM COc1c(Cl)cc(NC(=O)N(CC(=O)[O-])CC(C)C)cc1Cl ZINC000579310135 1022558718 /nfs/dbraw/zinc/55/87/18/1022558718.db2.gz SCVNFOWCQSUZLW-UHFFFAOYSA-N -1 0 349.214 3.577 20 0 EHADRM COc1c2ccccc2oc1CN=c1nc(-c2ccccc2)[n-]s1 ZINC000473707161 1022571850 /nfs/dbraw/zinc/57/18/50/1022571850.db2.gz UHJBYRAXAYLTTD-UHFFFAOYSA-N -1 0 337.404 3.994 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3C[C@@H](C)C[C@H](C)C3)n2)c1 ZINC000303853646 1022588964 /nfs/dbraw/zinc/58/89/64/1022588964.db2.gz FBUMASFFIBGQPW-GJZGRUSLSA-N -1 0 341.455 3.819 20 0 EHADRM Cc1ccc(-c2n[n-]c(=NC(=O)c3ccc4[nH]ccc4c3)s2)c(C)c1 ZINC000593802100 1033061677 /nfs/dbraw/zinc/06/16/77/1033061677.db2.gz JOCNPQFMIVPQLZ-UHFFFAOYSA-N -1 0 348.431 3.977 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)NCc3cccs3)n2)c1 ZINC000303895209 1022602855 /nfs/dbraw/zinc/60/28/55/1022602855.db2.gz KRZUDVBEKCWTDK-UHFFFAOYSA-N -1 0 341.436 3.693 20 0 EHADRM C[C@@H](OC[C@H]1CCCCO1)C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000330879884 1022692866 /nfs/dbraw/zinc/69/28/66/1022692866.db2.gz YBAVMNIJXUNCBG-MWLCHTKSSA-N -1 0 348.226 3.612 20 0 EHADRM CC(C)(C)c1ccc(Cl)cc1NC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000669505803 1033076205 /nfs/dbraw/zinc/07/62/05/1033076205.db2.gz COVGDPQUZJOTGN-LLVKDONJSA-N -1 0 338.835 3.966 20 0 EHADRM O=S(=O)([N-]c1ccccc1Oc1ccncc1)c1cccc(F)c1 ZINC000111995597 1022783400 /nfs/dbraw/zinc/78/34/00/1022783400.db2.gz VWTHYPPLZGGHJC-UHFFFAOYSA-N -1 0 344.367 3.814 20 0 EHADRM COc1cc(C)cc([N-]S(=O)(=O)c2cc(C)c(C)s2)c1C ZINC000331347264 1022798284 /nfs/dbraw/zinc/79/82/84/1022798284.db2.gz RZOIVHJDOFEWEK-UHFFFAOYSA-N -1 0 325.455 3.791 20 0 EHADRM COc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc([O-])c(Cl)c1 ZINC000131951717 1022798556 /nfs/dbraw/zinc/79/85/56/1022798556.db2.gz UAKFKVXGSQIEHZ-GFCCVEGCSA-N -1 0 333.815 3.757 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)CC2CCC(C)(C)CC2)c1 ZINC000581980509 1022798798 /nfs/dbraw/zinc/79/87/98/1022798798.db2.gz PRGQETDKZHBVLD-KRWDZBQOSA-N -1 0 347.455 3.934 20 0 EHADRM C[C@H]1C[C@H](CCNC(=O)c2ccc(Cl)c(Cl)c2[O-])CCO1 ZINC000334087773 1022849703 /nfs/dbraw/zinc/84/97/03/1022849703.db2.gz RGXSBWPTPRSFGX-VHSXEESVSA-N -1 0 332.227 3.634 20 0 EHADRM CC[C@]1(C)CCN(C(=O)N=c2nc(-c3sccc3C)[n-]s2)C1 ZINC000473815041 1022859632 /nfs/dbraw/zinc/85/96/32/1022859632.db2.gz BUQGQCHWQHDDIR-OAHLLOKOSA-N -1 0 336.486 3.651 20 0 EHADRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1ccc2ccccc2c1 ZINC000326531830 1022905254 /nfs/dbraw/zinc/90/52/54/1022905254.db2.gz HTILWAYVIDMASM-UHFFFAOYSA-N -1 0 346.339 3.688 20 0 EHADRM O=C(N[C@H]1CC[C@@H](Cc2ccccc2)C1)c1cc(F)c([O-])c(F)c1 ZINC000438686594 1022916114 /nfs/dbraw/zinc/91/61/14/1022916114.db2.gz OWKXBZVPVMIHCQ-ZFWWWQNUSA-N -1 0 331.362 3.812 20 0 EHADRM Cc1n[nH]c(C(=O)NCC2(c3ccc(C(C)(C)C)cc3)CCC2)c1[O-] ZINC001143410673 1022920937 /nfs/dbraw/zinc/92/09/37/1022920937.db2.gz RZUVLQCTAXMUJA-UHFFFAOYSA-N -1 0 341.455 3.573 20 0 EHADRM O=C([O-])[C@H](CC1CCCC1)NCc1ncc(-c2ccccc2)s1 ZINC000426719660 1022986599 /nfs/dbraw/zinc/98/65/99/1022986599.db2.gz INMYAMGPBNLUDE-HNNXBMFYSA-N -1 0 330.453 3.933 20 0 EHADRM CCN(C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)[C@H]1CCCC[C@@H]1C ZINC000073306185 1022999112 /nfs/dbraw/zinc/99/91/12/1022999112.db2.gz RHMKPZUWEMEIOC-YJBOKZPZSA-N -1 0 341.455 3.515 20 0 EHADRM Cc1cc(CN[C@@H](C(=O)[O-])c2c(F)cccc2F)cc2cccnc12 ZINC000426742449 1023012672 /nfs/dbraw/zinc/01/26/72/1023012672.db2.gz JYTLDBQQGCWDND-GOSISDBHSA-N -1 0 342.345 3.737 20 0 EHADRM COc1cccc(CN[C@H](C(=O)[O-])c2c(Cl)cccc2Cl)c1 ZINC000426752067 1023021677 /nfs/dbraw/zinc/02/16/77/1023021677.db2.gz ASYJVUYAFBGDQH-HNNXBMFYSA-N -1 0 340.206 3.918 20 0 EHADRM Cc1ncccc1CN[C@@H](C(=O)[O-])c1c(Cl)cccc1Cl ZINC000426758947 1023028969 /nfs/dbraw/zinc/02/89/69/1023028969.db2.gz UWOASKLSROOTPM-CQSZACIVSA-N -1 0 325.195 3.612 20 0 EHADRM O=C([O-])[C@H]([NH2+]Cc1cccc(OC2CCCC2)c1)c1ccc(O)cc1 ZINC000426772762 1023034895 /nfs/dbraw/zinc/03/48/95/1023034895.db2.gz GIICWRAMDLDKDF-LJQANCHMSA-N -1 0 341.407 3.629 20 0 EHADRM C[C@@H](CC(F)(F)F)N=c1[n-]nc(Cc2ccc(Cl)cc2)s1 ZINC000489900671 1033096184 /nfs/dbraw/zinc/09/61/84/1033096184.db2.gz ULUROCZQCHJDNJ-QMMMGPOBSA-N -1 0 335.782 3.957 20 0 EHADRM COc1ccccc1[C@H](NCc1cc2c(cc(C)cc2C)[nH]1)C(=O)[O-] ZINC000426766359 1023043896 /nfs/dbraw/zinc/04/38/96/1023043896.db2.gz ZYCUGSMFWQAPML-IBGZPJMESA-N -1 0 338.407 3.709 20 0 EHADRM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000074118412 1023051341 /nfs/dbraw/zinc/05/13/41/1023051341.db2.gz YMINOOLYMVLIOI-MAUKXSAKSA-N -1 0 341.455 3.515 20 0 EHADRM CCc1ccc([C@@H](NCc2nc3c(s2)C[C@H](C)CC3)C(=O)[O-])cc1 ZINC000426812824 1023061534 /nfs/dbraw/zinc/06/15/34/1023061534.db2.gz SEEGPQHUKUJAFF-KZULUSFZSA-N -1 0 344.480 3.746 20 0 EHADRM CC[C@@H](C)Oc1cc(C)ccc1CN=c1nc([C@H](C)OC)[n-]s1 ZINC000509564522 1023064506 /nfs/dbraw/zinc/06/45/06/1023064506.db2.gz SSOZUDCGOKQRJC-OLZOCXBDSA-N -1 0 335.473 3.765 20 0 EHADRM COc1ccc([C@H](NCc2cc3cc(F)ccc3o2)C(=O)[O-])cc1F ZINC000426817910 1023065861 /nfs/dbraw/zinc/06/58/61/1023065861.db2.gz CXHGLQDXLPQCPX-KRWDZBQOSA-N -1 0 347.317 3.635 20 0 EHADRM CCc1cccc(C)c1[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000430985134 1023083847 /nfs/dbraw/zinc/08/38/47/1023083847.db2.gz RZEJZHXZEUQTAR-UHFFFAOYSA-N -1 0 347.333 3.915 20 0 EHADRM Cc1cc(C(=O)N([C@H](C)C(=O)[O-])C2CC2)sc1-c1ccccc1 ZINC000518215655 1023134856 /nfs/dbraw/zinc/13/48/56/1023134856.db2.gz XVKOELPEXIDAJO-GFCCVEGCSA-N -1 0 329.421 3.801 20 0 EHADRM COc1ccc([C@@H]2CCCN2C(=O)c2c([O-])cc(F)cc2F)cc1 ZINC000127385285 1023136501 /nfs/dbraw/zinc/13/65/01/1023136501.db2.gz DPBQNGKTTZRREM-HNNXBMFYSA-N -1 0 333.334 3.656 20 0 EHADRM CCCCCC[C@](C)(NC(=O)[C@@H]1CCC(=O)c2ccccc21)C(=O)[O-] ZINC000909430218 1023136482 /nfs/dbraw/zinc/13/64/82/1023136482.db2.gz DKEDSQXJKUDVKU-UZLBHIALSA-N -1 0 345.439 3.677 20 0 EHADRM CCSc1nccnc1-c1noc(-c2cc(Cl)ccc2[O-])n1 ZINC000438926909 1023158482 /nfs/dbraw/zinc/15/84/82/1023158482.db2.gz DNJWJWRKKQFQBS-UHFFFAOYSA-N -1 0 334.788 3.665 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2C[C@H](C)c3ccccc32)n1 ZINC000438990222 1023194373 /nfs/dbraw/zinc/19/43/73/1023194373.db2.gz XLHHHSRPRAUFAW-AWEZNQCLSA-N -1 0 347.418 3.904 20 0 EHADRM CCCOc1ccc(CCC(=O)Nc2cc(C(C)=O)ccc2[O-])cc1 ZINC000476294886 1033116419 /nfs/dbraw/zinc/11/64/19/1033116419.db2.gz IYTAVPVKWFQGSR-UHFFFAOYSA-N -1 0 341.407 3.955 20 0 EHADRM COc1cccc([C@@H](C)N=c2[n-]c(-c3cccc(Cl)c3)no2)c1 ZINC000593992172 1033116449 /nfs/dbraw/zinc/11/64/49/1033116449.db2.gz QGXRCZLRVNZFHI-LLVKDONJSA-N -1 0 329.787 3.994 20 0 EHADRM C[C@H](c1ccc(Br)cc1)S(=O)(=O)c1ccc(O)cc1 ZINC000427164578 1023252986 /nfs/dbraw/zinc/25/29/86/1023252986.db2.gz XCTIWNSKOVRQAM-SNVBAGLBSA-N -1 0 341.226 3.690 20 0 EHADRM CC(C)(CC(=O)Nc1cccc(Cl)c1Br)C(=O)[O-] ZINC000190089712 1023254086 /nfs/dbraw/zinc/25/40/86/1023254086.db2.gz PFTABCQYYNEZKL-UHFFFAOYSA-N -1 0 334.597 3.542 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N(CC)C[C@@H](C)CC)n1 ZINC000439088556 1023263408 /nfs/dbraw/zinc/26/34/08/1023263408.db2.gz UWDLEXMWZJENPO-AWEZNQCLSA-N -1 0 329.444 3.649 20 0 EHADRM O=C([O-])C/C(=C\c1cnn(CC(F)F)c1)c1nc2ccccc2s1 ZINC000431149881 1023342443 /nfs/dbraw/zinc/34/24/43/1023342443.db2.gz JHIMYOMRNSHIKR-VZUCSPMQSA-N -1 0 349.362 3.773 20 0 EHADRM CCCc1ccc(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)cc1 ZINC000063234792 1033126460 /nfs/dbraw/zinc/12/64/60/1033126460.db2.gz XLVYEFVQRIISTI-BUHFOSPRSA-N -1 0 329.421 3.944 20 0 EHADRM Cc1ccn(-c2ccc([N-]S(=O)(=O)c3sc(C)cc3C)cc2)n1 ZINC000431175783 1023383016 /nfs/dbraw/zinc/38/30/16/1023383016.db2.gz BAFRFQUNSDMDOI-UHFFFAOYSA-N -1 0 347.465 3.660 20 0 EHADRM O=C(CCOCC(F)(F)C(F)(F)F)Nc1cccc(Cl)c1[O-] ZINC000276928843 1023400903 /nfs/dbraw/zinc/40/09/03/1023400903.db2.gz ZZTWRSXCAYDIER-UHFFFAOYSA-N -1 0 347.667 3.588 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)c1 ZINC000471965580 1023467042 /nfs/dbraw/zinc/46/70/42/1023467042.db2.gz LWYCPQFAZABSLE-UHFFFAOYSA-N -1 0 329.780 3.548 20 0 EHADRM CC(C)(CCC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000431218904 1023532252 /nfs/dbraw/zinc/53/22/52/1023532252.db2.gz XFRHZGYCNZUCFB-SZMVWBNQSA-N -1 0 343.467 3.989 20 0 EHADRM CSc1cccc(C)c1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000471979598 1023743792 /nfs/dbraw/zinc/74/37/92/1023743792.db2.gz OUNBEFZWJKMMMK-UHFFFAOYSA-N -1 0 347.383 3.935 20 0 EHADRM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000238062032 1033160548 /nfs/dbraw/zinc/16/05/48/1033160548.db2.gz XMNPRSWFXSKWCV-ZJUUUORDSA-N -1 0 333.281 3.674 20 0 EHADRM Cc1cc2ccccc2n1CC(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000471991371 1023943981 /nfs/dbraw/zinc/94/39/81/1023943981.db2.gz ICGVVKQHZSRTTJ-UHFFFAOYSA-N -1 0 336.391 3.903 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2cccc3ccccc32)Cc2ccccc21 ZINC000326929267 1023968201 /nfs/dbraw/zinc/96/82/01/1023968201.db2.gz KCMFSFWPYCZDQA-IBGZPJMESA-N -1 0 331.371 3.664 20 0 EHADRM Cc1nc([C@H](C)NC(=O)c2cccc(C3CCC3)c2)sc1C(=O)[O-] ZINC000909506072 1023972904 /nfs/dbraw/zinc/97/29/04/1023972904.db2.gz LARRPSPWJPNMHE-NSHDSACASA-N -1 0 344.436 3.908 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000191158666 1024042394 /nfs/dbraw/zinc/04/23/94/1024042394.db2.gz AFEXEDMQHUNNIU-JTQLQIEISA-N -1 0 346.814 3.749 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N2CC[C@H]2Cc2ccccc2)s1 ZINC000443872524 1024078869 /nfs/dbraw/zinc/07/88/69/1024078869.db2.gz AUHDUXIJZGGWJP-HNNXBMFYSA-N -1 0 344.484 3.542 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3ccccc3n2)cc1C ZINC000522592257 1024090585 /nfs/dbraw/zinc/09/05/85/1024090585.db2.gz QRVHIAHGNYIUJN-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM CC(C)C[C@](C)(CC(=O)[O-])C(=O)Nc1ccc(NC(=O)C(C)C)cc1 ZINC000634815549 1024095996 /nfs/dbraw/zinc/09/59/96/1024095996.db2.gz XRMRRVAYPAKEKY-LJQANCHMSA-N -1 0 348.443 3.747 20 0 EHADRM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2O)cc1 ZINC000443527635 1024096561 /nfs/dbraw/zinc/09/65/61/1024096561.db2.gz HRTUQRJFEKYGGQ-UHFFFAOYSA-N -1 0 347.436 3.693 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)C[C@H](C)c1ccc(F)cc1 ZINC000262191467 1024106113 /nfs/dbraw/zinc/10/61/13/1024106113.db2.gz YWYKCKVBZVSVJH-KSSFIOAISA-N -1 0 343.398 3.960 20 0 EHADRM COc1ccc(-c2ccc(CC[C@@H](C)CC(=O)[O-])cc2)c(CO)c1 ZINC000657207178 1024128494 /nfs/dbraw/zinc/12/84/94/1024128494.db2.gz HHIIFSOTYVHOGC-CQSZACIVSA-N -1 0 328.408 3.898 20 0 EHADRM COCCCOc1ccc(-c2ccc3c(c2)[C@H](C(=O)[O-])CCO3)cc1 ZINC000657207548 1024130377 /nfs/dbraw/zinc/13/03/77/1024130377.db2.gz UWOMJEPGNJGTGK-QGZVFWFLSA-N -1 0 342.391 3.720 20 0 EHADRM COCCCOc1ccc(-c2ccc3c(c2)[C@@H](C(=O)[O-])CCO3)cc1 ZINC000657207547 1024130431 /nfs/dbraw/zinc/13/04/31/1024130431.db2.gz UWOMJEPGNJGTGK-KRWDZBQOSA-N -1 0 342.391 3.720 20 0 EHADRM Cc1ccc(OCCC(=O)[O-])c(-c2cccc3c2OCCCO3)c1 ZINC000657207586 1024131156 /nfs/dbraw/zinc/13/11/56/1024131156.db2.gz OCUSAJKSYKDWAG-UHFFFAOYSA-N -1 0 328.364 3.677 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C[C@@H]2CCC3(CCC3)CO2)c1 ZINC000897808070 1033188067 /nfs/dbraw/zinc/18/80/67/1033188067.db2.gz IXZMTLJPNPRSKP-AWEZNQCLSA-N -1 0 331.412 3.663 20 0 EHADRM CCOC[C@H](NCc1ccc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)[O-] ZINC000417599023 1024135164 /nfs/dbraw/zinc/13/51/64/1024135164.db2.gz CYBVGRSQXKPMHF-KRWDZBQOSA-N -1 0 345.439 3.823 20 0 EHADRM CC[C@@H](Cc1ccc(NCc2ccc(OC)c(OC)c2)cc1)C(=O)[O-] ZINC000417616796 1024163917 /nfs/dbraw/zinc/16/39/17/1024163917.db2.gz ZJYNCFZWIODGEF-INIZCTEOSA-N -1 0 343.423 3.969 20 0 EHADRM Cc1ccc(-c2n[nH]cc2CNc2ccc(C(C)(C)C(=O)[O-])cc2)o1 ZINC000417620085 1024180048 /nfs/dbraw/zinc/18/00/48/1024180048.db2.gz CLLBDBWRKHFTHA-UHFFFAOYSA-N -1 0 339.395 3.952 20 0 EHADRM CC[C@](C)(CC(=O)[O-])C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000634816219 1024186459 /nfs/dbraw/zinc/18/64/59/1024186459.db2.gz GENOYPFJIDFGCU-GOSISDBHSA-N -1 0 334.416 3.501 20 0 EHADRM Cc1cc(Nc2cc(Br)cnc2F)cc(C(=O)[O-])c1 ZINC001211534659 1024195697 /nfs/dbraw/zinc/19/56/97/1024195697.db2.gz CAHLAUYWRMQUER-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000434627471 1024227368 /nfs/dbraw/zinc/22/73/68/1024227368.db2.gz NIXLRBDUEGRYGW-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM Cc1cccc(C)c1CC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000192918399 1024288639 /nfs/dbraw/zinc/28/86/39/1024288639.db2.gz MIPPJNGROCATQP-HNNXBMFYSA-N -1 0 325.408 3.748 20 0 EHADRM CC[C@H](C)c1cc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)on1 ZINC000191409796 1024303000 /nfs/dbraw/zinc/30/30/00/1024303000.db2.gz SUXLXGFCRFSVRV-NWDGAFQWSA-N -1 0 330.384 3.704 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@@H]1CCCc2c(O)cccc21 ZINC000909516422 1024324955 /nfs/dbraw/zinc/32/49/55/1024324955.db2.gz MAIJEKGIIPDUCN-OAHLLOKOSA-N -1 0 339.391 3.766 20 0 EHADRM O=C([O-])c1csc(NC(=O)[C@@H](c2ccncc2)C2CCCC2)c1 ZINC000909517604 1024334970 /nfs/dbraw/zinc/33/49/70/1024334970.db2.gz JWLXZSMEPPAPOE-OAHLLOKOSA-N -1 0 330.409 3.754 20 0 EHADRM COc1ccc(-c2cc(Nc3cc(C)cc(C(=O)[O-])c3)n(C)n2)cc1 ZINC001211535273 1024335837 /nfs/dbraw/zinc/33/58/37/1024335837.db2.gz XGWQNAGAWBMUCT-UHFFFAOYSA-N -1 0 337.379 3.846 20 0 EHADRM CCC[C@@H]1C[C@H](C(=O)Nc2cc(Br)ccc2O)CCO1 ZINC000184134152 1024372527 /nfs/dbraw/zinc/37/25/27/1024372527.db2.gz PMKIKMPBBOAEDZ-ZYHUDNBSSA-N -1 0 342.233 3.689 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cccc(F)c2F)ccc1OC(C)C ZINC000607616644 1033217433 /nfs/dbraw/zinc/21/74/33/1033217433.db2.gz DDGCXLRCFOGDHB-UHFFFAOYSA-N -1 0 341.379 3.861 20 0 EHADRM Cc1ccc(Oc2ccccc2)c([N-]S(=O)(=O)C[C@H]2CCCO2)c1 ZINC000441766769 1024590461 /nfs/dbraw/zinc/59/04/61/1024590461.db2.gz XXABKKYFNCUXQO-MRXNPFEDSA-N -1 0 347.436 3.708 20 0 EHADRM Cc1ccccc1CS(=O)(=O)Nc1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000548591110 1024590781 /nfs/dbraw/zinc/59/07/81/1024590781.db2.gz DCLFEGXHEOZACJ-AWEZNQCLSA-N -1 0 347.436 3.515 20 0 EHADRM CC(C)(CNS(=O)(=O)c1cc2cc(F)ccc2o1)C1CCC1 ZINC001211884609 1024608066 /nfs/dbraw/zinc/60/80/66/1024608066.db2.gz VOZSPTCCLMMHMD-UHFFFAOYSA-N -1 0 325.405 3.677 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2cc(F)ccc2Br)c1 ZINC000435142823 1024656461 /nfs/dbraw/zinc/65/64/61/1024656461.db2.gz KBHZGRYMXKDKAQ-UHFFFAOYSA-N -1 0 344.205 3.697 20 0 EHADRM Cc1c(C(=O)[O-])sc2ncnc(NC[C@@H]3CC34CCSCC4)c12 ZINC000514862713 1024794882 /nfs/dbraw/zinc/79/48/82/1024794882.db2.gz JEBMQJBAXUUWNN-JTQLQIEISA-N -1 0 349.481 3.643 20 0 EHADRM O=S(=O)([N-]c1ccc2c(Cl)cccc2n1)c1cccc(F)c1 ZINC000508073680 1024888851 /nfs/dbraw/zinc/88/88/51/1024888851.db2.gz LJJQFVGDROWOOZ-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM CC[C@H](C(=O)NCCCCCCCC(=O)[O-])c1ccc(OC)cc1 ZINC000281323109 1024922214 /nfs/dbraw/zinc/92/22/14/1024922214.db2.gz JXKCIHSAJMAZMZ-KRWDZBQOSA-N -1 0 335.444 3.730 20 0 EHADRM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2F)n[nH]1 ZINC000474421496 1024932204 /nfs/dbraw/zinc/93/22/04/1024932204.db2.gz KITQJJTURAGMOL-UHFFFAOYSA-N -1 0 345.827 3.592 20 0 EHADRM CC(C)(C)[C@H]1CCc2nc([N-]S(=O)(=O)c3ccoc3)sc2C1 ZINC000508201873 1024959277 /nfs/dbraw/zinc/95/92/77/1024959277.db2.gz CBMGAOXGTCDGNW-JTQLQIEISA-N -1 0 340.470 3.688 20 0 EHADRM Cc1cc(Nc2ccc3ncc(Br)n3c2)cc(C(=O)[O-])c1 ZINC001211537752 1024965726 /nfs/dbraw/zinc/96/57/26/1024965726.db2.gz ZMRTUJPUAGWLAF-UHFFFAOYSA-N -1 0 346.184 3.847 20 0 EHADRM O=S(=O)([N-]c1cc(-c2cccs2)[nH]n1)c1cccc(Cl)c1 ZINC000346633604 1024974061 /nfs/dbraw/zinc/97/40/61/1024974061.db2.gz WYLRXGXJPLQOGI-UHFFFAOYSA-N -1 0 339.829 3.592 20 0 EHADRM O=C(Nc1nc2ccsc2s1)c1cc(F)c(F)c([O-])c1F ZINC000349111780 1024977044 /nfs/dbraw/zinc/97/70/44/1024977044.db2.gz UQZCMVKPQIWUOD-UHFFFAOYSA-N -1 0 330.312 3.733 20 0 EHADRM Cc1c(C(=O)NCCCCCCCC(=O)[O-])cnn1C1CCCCC1 ZINC000909469011 1025023572 /nfs/dbraw/zinc/02/35/72/1025023572.db2.gz ZQOQGECMMBJUHY-UHFFFAOYSA-N -1 0 349.475 3.852 20 0 EHADRM CSCCCN(C)Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000281439086 1025050422 /nfs/dbraw/zinc/05/04/22/1025050422.db2.gz PVDBVTYOENGRDN-UHFFFAOYSA-N -1 0 349.481 3.842 20 0 EHADRM C[C@H](Sc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000013177502 1025071707 /nfs/dbraw/zinc/07/17/07/1025071707.db2.gz NLYICYKREBBQED-LRDDRELGSA-N -1 0 347.411 3.639 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)nc1 ZINC000435718566 1025104291 /nfs/dbraw/zinc/10/42/91/1025104291.db2.gz FKZGUCZSILXNTN-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CC(C)c1ccc(S(=O)(=O)[N-]c2ncccc2OC(F)F)cc1 ZINC000521030024 1025173691 /nfs/dbraw/zinc/17/36/91/1025173691.db2.gz GONRWZCXOHFBNI-UHFFFAOYSA-N -1 0 342.367 3.607 20 0 EHADRM CCCCCc1ccc(NC(=O)N2CC[C@H](OC)C[C@H]2C(=O)[O-])cc1 ZINC000684742153 1025184832 /nfs/dbraw/zinc/18/48/32/1025184832.db2.gz OOXBVADWTIODBI-IRXDYDNUSA-N -1 0 348.443 3.515 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)N=c2[n-]nc(C(F)F)s2)cc1 ZINC000449808413 1033265792 /nfs/dbraw/zinc/26/57/92/1033265792.db2.gz ZLHCPSSXIJSDGR-UHFFFAOYSA-N -1 0 341.383 3.717 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)cn1 ZINC000435895348 1025209525 /nfs/dbraw/zinc/20/95/25/1025209525.db2.gz YMYAJJGBFCYKTA-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CN(C(=O)Nc1cccc(-c2ncco2)c1)C1(C(=O)[O-])CCCCC1 ZINC000684748067 1025246591 /nfs/dbraw/zinc/24/65/91/1025246591.db2.gz GYHWWDCJIBDPND-UHFFFAOYSA-N -1 0 343.383 3.593 20 0 EHADRM CCc1ccc(CC)c(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000435968700 1025253002 /nfs/dbraw/zinc/25/30/02/1025253002.db2.gz CHOCIFFBOHXDJR-UHFFFAOYSA-N -1 0 347.436 3.619 20 0 EHADRM O=C(N=c1[n-]ncs1)c1[nH]ccc1-c1c(Cl)cccc1Cl ZINC000442307541 1025261715 /nfs/dbraw/zinc/26/17/15/1025261715.db2.gz SFSGLBWXQNNVMF-UHFFFAOYSA-N -1 0 339.207 3.514 20 0 EHADRM COc1cccc([C@H](C)NC(=O)CC2(CC(=O)[O-])CCCCC2)c1 ZINC000324364141 1025291119 /nfs/dbraw/zinc/29/11/19/1025291119.db2.gz IYFZKOLIRNZMMW-AWEZNQCLSA-N -1 0 333.428 3.688 20 0 EHADRM Fc1cccc2[nH]c(CN=c3[n-]nc(CCc4ccccc4)o3)cc21 ZINC000436026130 1025310118 /nfs/dbraw/zinc/31/01/18/1025310118.db2.gz NPXOQFOMCQTEEH-UHFFFAOYSA-N -1 0 336.370 3.509 20 0 EHADRM CCc1n[n-]c(=NC(=O)N2CCCCC[C@H]2c2cccc(C)c2)s1 ZINC000522784483 1025320436 /nfs/dbraw/zinc/32/04/36/1025320436.db2.gz GAKFYLXOFXWPLT-HNNXBMFYSA-N -1 0 344.484 3.980 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])[NH2+]Cc2ccc(SC)cc2)c1 ZINC000277485943 1025349450 /nfs/dbraw/zinc/34/94/50/1025349450.db2.gz WWURXJDPZARFAJ-KRWDZBQOSA-N -1 0 331.437 3.723 20 0 EHADRM O=C(C=CCc1ccc(F)cc1)N=c1nc(-c2ccsc2)[n-]s1 ZINC000474700360 1025355875 /nfs/dbraw/zinc/35/58/75/1025355875.db2.gz CUQNCPBSTWADNH-OWOJBTEDSA-N -1 0 345.424 3.870 20 0 EHADRM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)Nc1ccc(C2CCC2)cc1 ZINC000515604948 1025400895 /nfs/dbraw/zinc/40/08/95/1025400895.db2.gz LIOHQAOZMZWKMD-XIRDDKMYSA-N -1 0 328.412 3.671 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1 ZINC000436158656 1025425659 /nfs/dbraw/zinc/42/56/59/1025425659.db2.gz XAJTVERFGPHGMR-UHFFFAOYSA-N -1 0 348.371 3.623 20 0 EHADRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(CC)s1 ZINC000515630685 1025425887 /nfs/dbraw/zinc/42/58/87/1025425887.db2.gz GDFPJWMVDAPIDJ-UHFFFAOYSA-N -1 0 325.455 3.818 20 0 EHADRM Cc1n[nH]cc1-c1n[n-]c(=NCc2ccc(Cl)cc2Cl)s1 ZINC000436151111 1025433790 /nfs/dbraw/zinc/43/37/90/1025433790.db2.gz GFCXGNGLZOQCQB-UHFFFAOYSA-N -1 0 340.239 3.577 20 0 EHADRM CCn1ncc2cc(C(=O)Nc3cc(F)cc(Cl)c3[O-])c(C)nc21 ZINC000442758898 1025457914 /nfs/dbraw/zinc/45/79/14/1025457914.db2.gz PXOZGGJTVDXFAB-UHFFFAOYSA-N -1 0 348.765 3.510 20 0 EHADRM COC(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000014257114 1025459518 /nfs/dbraw/zinc/45/95/18/1025459518.db2.gz VZVZLPWTDJMNAQ-UHFFFAOYSA-N -1 0 347.436 3.508 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000442754675 1025466470 /nfs/dbraw/zinc/46/64/70/1025466470.db2.gz XQOHSZOQUUBPQT-DLOVCJGASA-N -1 0 344.238 3.809 20 0 EHADRM C[C@@](CC(=O)NCc1c(F)cccc1Cl)(C(=O)[O-])c1ccccc1 ZINC000347085520 1025506884 /nfs/dbraw/zinc/50/68/84/1025506884.db2.gz LUWHPTRZNSMHAI-SFHVURJKSA-N -1 0 349.789 3.528 20 0 EHADRM CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(C)s3)cc2O1 ZINC000442835169 1025525448 /nfs/dbraw/zinc/52/54/48/1025525448.db2.gz LTLLWNAHWMOIRA-HNNXBMFYSA-N -1 0 339.438 3.755 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2cnccc2C(F)(F)F)c1 ZINC000442837705 1025527290 /nfs/dbraw/zinc/52/72/90/1025527290.db2.gz OIOQRMHAHAVBOB-UHFFFAOYSA-N -1 0 348.371 3.623 20 0 EHADRM CCSc1cccc(F)c1NC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000521625507 1025551132 /nfs/dbraw/zinc/55/11/32/1025551132.db2.gz MDFFOKOCLZSCRF-QWRGUYRKSA-N -1 0 340.420 3.512 20 0 EHADRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1scnc1C(C)C ZINC000451101571 1025562151 /nfs/dbraw/zinc/56/21/51/1025562151.db2.gz DQEODSPEXPOQKO-UHFFFAOYSA-N -1 0 340.470 3.693 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2cccc3ccoc32)cc1C ZINC000515773143 1025582637 /nfs/dbraw/zinc/58/26/37/1025582637.db2.gz HEKKBTSQLJQVHK-NSHDSACASA-N -1 0 333.413 3.710 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000321353806 1025647247 /nfs/dbraw/zinc/64/72/47/1025647247.db2.gz YNCZSSZOBDHLRD-WOSRLPQWSA-N -1 0 333.815 3.671 20 0 EHADRM C[C@@H](CC(=O)N=c1nc(-c2ccccc2)[n-]s1)c1ccc(F)cc1 ZINC000515849181 1025675669 /nfs/dbraw/zinc/67/56/69/1025675669.db2.gz CNLHQKRILYWNQI-LBPRGKRZSA-N -1 0 341.411 3.898 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@H]2CCCc3ccc(F)cc32)CCCCC1 ZINC000530372007 1025721385 /nfs/dbraw/zinc/72/13/85/1025721385.db2.gz GIMCHNOSRCUDHF-INIZCTEOSA-N -1 0 333.403 3.745 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cccc3c2CCCC3)C1 ZINC000909495828 1025725228 /nfs/dbraw/zinc/72/52/28/1025725228.db2.gz WXFQKHYIINCQNJ-OAHLLOKOSA-N -1 0 329.440 3.528 20 0 EHADRM Cc1cc(S(=O)(=O)Nc2ccccc2N(C)C)ccc1OC(C)C ZINC000521901313 1025754212 /nfs/dbraw/zinc/75/42/12/1025754212.db2.gz FEHWJBZESUHFST-UHFFFAOYSA-N -1 0 348.468 3.649 20 0 EHADRM C[C@@H]1CCC[C@@H](N(C)C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])C1 ZINC000436470654 1025763391 /nfs/dbraw/zinc/76/33/91/1025763391.db2.gz SAGHPRDPVKQKNH-IUODEOHRSA-N -1 0 347.846 3.882 20 0 EHADRM Cc1cc(C)cc(CS(=O)(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000582305193 1025803217 /nfs/dbraw/zinc/80/32/17/1025803217.db2.gz QWVGEIJCCYUPBW-UHFFFAOYSA-N -1 0 347.436 3.560 20 0 EHADRM Cc1ncc(NC(=O)c2cc(Br)cc(Cl)c2[O-])s1 ZINC000436515343 1025814618 /nfs/dbraw/zinc/81/46/18/1025814618.db2.gz QKYZOBAFNLUWTG-UHFFFAOYSA-N -1 0 347.621 3.825 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCCC[C@@H]1Cc1ccccc1 ZINC000436533123 1025841345 /nfs/dbraw/zinc/84/13/45/1025841345.db2.gz UBXKVFHOZKPPPI-OAHLLOKOSA-N -1 0 331.362 3.908 20 0 EHADRM CCC(CC)(CNC(=O)c1occc1-c1ccc(F)cc1)C(=O)[O-] ZINC000191121309 1025879087 /nfs/dbraw/zinc/87/90/87/1025879087.db2.gz FGPCLVNGEGANFF-UHFFFAOYSA-N -1 0 333.359 3.707 20 0 EHADRM O=C(NC[C@H]1CCCOC1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436559019 1025881715 /nfs/dbraw/zinc/88/17/15/1025881715.db2.gz YDJHWVFQTFQGRF-CYBMUJFWSA-N -1 0 345.826 3.869 20 0 EHADRM O=C(N[C@H](c1ccc(F)cc1)C(F)(F)F)c1cc(F)c([O-])c(F)c1 ZINC000436576174 1025883031 /nfs/dbraw/zinc/88/30/31/1025883031.db2.gz KWLUSHKJMYYTEY-CYBMUJFWSA-N -1 0 349.230 3.843 20 0 EHADRM C[C@H](O)C[C@H](C)CNC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436561218 1025888768 /nfs/dbraw/zinc/88/87/68/1025888768.db2.gz FBQXOVKHCPJNJD-STQMWFEESA-N -1 0 347.842 3.849 20 0 EHADRM CC(C)Cn1ncc(NC(=O)c2ccc(F)cc2[O-])c1C(F)F ZINC000436561805 1025889045 /nfs/dbraw/zinc/88/90/45/1025889045.db2.gz KNEFSQROFKMWQW-UHFFFAOYSA-N -1 0 327.306 3.574 20 0 EHADRM C[C@H]1N(C(=O)c2cc(Oc3ccccc3)ccc2O)CCOC1(C)C ZINC000436594146 1025910740 /nfs/dbraw/zinc/91/07/40/1025910740.db2.gz DJFLCTSBJOGHOK-CQSZACIVSA-N -1 0 341.407 3.824 20 0 EHADRM COc1cc(SC)ccc1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000522058983 1025925855 /nfs/dbraw/zinc/92/58/55/1025925855.db2.gz BMVHRYKUQOAYRC-UHFFFAOYSA-N -1 0 337.441 3.781 20 0 EHADRM CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000436604078 1025934986 /nfs/dbraw/zinc/93/49/86/1025934986.db2.gz IQUDFOYWZDTZCM-UHFFFAOYSA-N -1 0 347.436 3.711 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)s1 ZINC000522087807 1025947336 /nfs/dbraw/zinc/94/73/36/1025947336.db2.gz VUYIGFQHGBCZGM-ZIAGYGMSSA-N -1 0 344.484 3.715 20 0 EHADRM O=C(Nc1nc2c(cccc2Cl)[nH]1)c1cc(F)c([O-])c(Cl)c1 ZINC000436626420 1025954255 /nfs/dbraw/zinc/95/42/55/1025954255.db2.gz HQTKNEWOBNAQIT-UHFFFAOYSA-N -1 0 340.141 3.967 20 0 EHADRM CN(C[C@H]1OCCc2ccccc21)C(=O)c1cc2ccccc2cc1O ZINC000436637034 1025965528 /nfs/dbraw/zinc/96/55/28/1025965528.db2.gz YRIIZBAHDBILQS-OAQYLSRUSA-N -1 0 347.414 3.931 20 0 EHADRM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000436639780 1025969275 /nfs/dbraw/zinc/96/92/75/1025969275.db2.gz RJIJDMRAYQPAHR-JDNHERCYSA-N -1 0 335.325 3.863 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2c(F)c(F)cc(F)c2F)c1 ZINC000436649573 1025975945 /nfs/dbraw/zinc/97/59/45/1025975945.db2.gz XFHPVEYADXBXBL-UHFFFAOYSA-N -1 0 341.260 3.794 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@]23CCc2ccccc23)c1 ZINC000436652922 1025980880 /nfs/dbraw/zinc/98/08/80/1025980880.db2.gz RHYXJWMXTONRKZ-IERDGZPVSA-N -1 0 335.403 3.828 20 0 EHADRM C[C@H]1COCC[C@H]1CNC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436656422 1025986411 /nfs/dbraw/zinc/98/64/11/1025986411.db2.gz QAJWSGJTPARECE-RYUDHWBXSA-N -1 0 333.815 3.601 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C(C)(C)c2ccccc2OC)c1 ZINC000436656131 1025987079 /nfs/dbraw/zinc/98/70/79/1025987079.db2.gz IDURATPXDIBJJA-UHFFFAOYSA-N -1 0 341.407 3.910 20 0 EHADRM O=C(NCCc1ccc2[nH]ccc2c1)c1cc(F)cc(Cl)c1[O-] ZINC000443395691 1025993906 /nfs/dbraw/zinc/99/39/06/1025993906.db2.gz VJOUEUIQPGKDEK-UHFFFAOYSA-N -1 0 332.762 3.639 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2c[nH]c3cc(F)ccc32)c1 ZINC000436647637 1025997717 /nfs/dbraw/zinc/99/77/17/1025997717.db2.gz RELVXGCCBPGRIX-UHFFFAOYSA-N -1 0 326.327 3.858 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H]2SCCc3ccccc32)c1 ZINC000436649079 1026000560 /nfs/dbraw/zinc/00/05/60/1026000560.db2.gz VMIJXVBXIXIZHV-GOSISDBHSA-N -1 0 341.432 3.954 20 0 EHADRM CCc1cccnc1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000443422482 1026018805 /nfs/dbraw/zinc/01/88/05/1026018805.db2.gz KJNUSLSJKBKSEU-UHFFFAOYSA-N -1 0 348.321 3.603 20 0 EHADRM Cn1nc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc1C1CC1 ZINC000436658450 1026021115 /nfs/dbraw/zinc/02/11/15/1026021115.db2.gz LPZVNNGJDNDCQV-UHFFFAOYSA-N -1 0 326.183 3.562 20 0 EHADRM O=C(N[C@@H]1CCOc2c(F)ccc(F)c21)c1ccc([O-])c(Cl)c1 ZINC000436658924 1026021558 /nfs/dbraw/zinc/02/15/58/1026021558.db2.gz WMUVKTCRJIIUHP-GFCCVEGCSA-N -1 0 339.725 3.577 20 0 EHADRM COc1cc(C)cc(CNC(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)c1 ZINC000443422034 1026021908 /nfs/dbraw/zinc/02/19/08/1026021908.db2.gz ZZOKTHPTTDCJCF-FQEVSTJZSA-N -1 0 347.455 3.681 20 0 EHADRM COc1cc([C@H](C)/N=C/c2cc(Cl)ccc2O)ccc1OCCO ZINC000126947496 1026041469 /nfs/dbraw/zinc/04/14/69/1026041469.db2.gz JVTSMMCSVFOXSA-DQAKUKQTSA-N -1 0 349.814 3.605 20 0 EHADRM CC(C)n1nccc1/C=C/c1nc(-c2ccccc2)ncc1C(=O)[O-] ZINC000443439428 1026042337 /nfs/dbraw/zinc/04/23/37/1026042337.db2.gz BQIOMEYQOFYTAF-CMDGGOBGSA-N -1 0 334.379 3.790 20 0 EHADRM O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc([O-])c(Cl)c1 ZINC000158502111 1026051867 /nfs/dbraw/zinc/05/18/67/1026051867.db2.gz PRNZWBGTFBPAFV-YOEHRIQHSA-N -1 0 331.799 3.696 20 0 EHADRM CC[C@H](C)CS(=O)(=O)[N-][C@H](c1c[nH]c2ccccc12)C(F)(F)F ZINC000443451290 1026055394 /nfs/dbraw/zinc/05/53/94/1026055394.db2.gz GWTHSKBGUTUDDS-IINYFYTJSA-N -1 0 348.390 3.737 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCc3ccccc32)c(F)c1 ZINC000075040497 1026092081 /nfs/dbraw/zinc/09/20/81/1026092081.db2.gz WUDJHNGUNRQUFE-AWEZNQCLSA-N -1 0 347.411 3.899 20 0 EHADRM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CC2(C(=O)[O-])CCC2)o1 ZINC000262423540 1026116106 /nfs/dbraw/zinc/11/61/06/1026116106.db2.gz AZSZEMIPDRCSGG-ZFWWWQNUSA-N -1 0 333.428 3.787 20 0 EHADRM COc1ccc(CCC(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)cc1 ZINC000324669291 1026122530 /nfs/dbraw/zinc/12/25/30/1026122530.db2.gz AGARGCGAAZUHPG-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2[O-])cc1Cl ZINC000436758487 1026128410 /nfs/dbraw/zinc/12/84/10/1026128410.db2.gz XYJSKKVZDDWYIU-UHFFFAOYSA-N -1 0 339.178 3.910 20 0 EHADRM O=C(NCc1ccccc1Cl)c1ccc(C(F)(F)F)c(O)c1 ZINC000684869649 1026238920 /nfs/dbraw/zinc/23/89/20/1026238920.db2.gz WTRYHXHUWNXJAP-UHFFFAOYSA-N -1 0 329.705 3.994 20 0 EHADRM COc1c(C)cc(S(=O)(=O)Nc2ccc(Cl)c(F)c2)cc1C ZINC000511121132 1026239247 /nfs/dbraw/zinc/23/92/47/1026239247.db2.gz MTOLSBJRBBBIRT-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM CCC(=O)Nc1ccc(NC(=O)CC2(C(=O)[O-])CCCCCC2)cc1 ZINC000048383498 1026261017 /nfs/dbraw/zinc/26/10/17/1026261017.db2.gz WXFCUEYMMBQTSC-UHFFFAOYSA-N -1 0 346.427 3.789 20 0 EHADRM CSc1ccc([C@H](C)NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000684881548 1026320468 /nfs/dbraw/zinc/32/04/68/1026320468.db2.gz HSLGITNCMDAGDE-SUMWQHHRSA-N -1 0 343.448 3.844 20 0 EHADRM CCCOc1ccc(NS(=O)(=O)c2ccc(Cl)nc2C)cc1 ZINC000320537585 1026331984 /nfs/dbraw/zinc/33/19/84/1026331984.db2.gz OKBGBLOLPXRRJY-UHFFFAOYSA-N -1 0 340.832 3.633 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)N[C@H]2CCCc3sccc32)s1 ZINC000342607960 1026451524 /nfs/dbraw/zinc/45/15/24/1026451524.db2.gz RZSJJNZGEDGDCM-JTQLQIEISA-N -1 0 336.486 3.518 20 0 EHADRM Cc1cc(Nc2cc(N)ccc2OC(F)(F)F)cc(C(=O)[O-])c1 ZINC001211547421 1026478393 /nfs/dbraw/zinc/47/83/93/1026478393.db2.gz OYGCUFCHGBTHRY-UHFFFAOYSA-N -1 0 326.274 3.918 20 0 EHADRM C[C@H](NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)c1ccccc1Cl ZINC000325011209 1026524886 /nfs/dbraw/zinc/52/48/86/1026524886.db2.gz BVUBFBZFLQFTQC-ORAYPTAESA-N -1 0 345.826 3.950 20 0 EHADRM Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2ccc(F)cc2F)s1 ZINC000122522505 1026525754 /nfs/dbraw/zinc/52/57/54/1026525754.db2.gz SLRGLXMMTZXEIV-UHFFFAOYSA-N -1 0 346.424 3.729 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)OC)cc1 ZINC000325063017 1026537349 /nfs/dbraw/zinc/53/73/49/1026537349.db2.gz UNECGGCDGDSGLJ-UHFFFAOYSA-N -1 0 347.436 3.535 20 0 EHADRM Cc1cc2c(cc1C)O[C@H](C(=O)Nc1cc(C(=O)[O-])c(C)cc1C)C2 ZINC000262479242 1026554088 /nfs/dbraw/zinc/55/40/88/1026554088.db2.gz HTDAXQDFCVRXRG-SFHVURJKSA-N -1 0 339.391 3.561 20 0 EHADRM O=S(=O)(Cc1ccccc1F)[N-]c1noc2cc(Cl)ccc21 ZINC000342645732 1026554659 /nfs/dbraw/zinc/55/46/59/1026554659.db2.gz DTLPGOHATQWHCJ-UHFFFAOYSA-N -1 0 340.763 3.562 20 0 EHADRM CC(C)(C)Oc1cccc(COC(=O)c2cc(F)c([O-])c(F)c2)n1 ZINC000759543243 1026597651 /nfs/dbraw/zinc/59/76/51/1026597651.db2.gz YPXFXAKQLNQDRI-UHFFFAOYSA-N -1 0 337.322 3.600 20 0 EHADRM C[C@@H](c1ccccc1)N(C(=O)c1nn(-c2ccccc2)cc1[O-])C1CC1 ZINC000342696626 1026749382 /nfs/dbraw/zinc/74/93/82/1026749382.db2.gz KJJSHYORTNHGHF-HNNXBMFYSA-N -1 0 347.418 3.944 20 0 EHADRM O=C(N[C@H]1CCCC[C@H]1CC(F)(F)F)c1cc(F)c([O-])c(F)c1 ZINC000452513555 1026810256 /nfs/dbraw/zinc/81/02/56/1026810256.db2.gz RCQGCJFCWVRREV-UFBFGSQYSA-N -1 0 337.288 3.911 20 0 EHADRM CC[C@@H](NC(=O)N([C@@H](C)C(=O)[O-])C1CCC1)c1ccc(Cl)cc1 ZINC000582642882 1026848604 /nfs/dbraw/zinc/84/86/04/1026848604.db2.gz HMSJJPCKTZMVAR-XHDPSFHLSA-N -1 0 338.835 3.828 20 0 EHADRM C[C@H]1Cc2cc(-c3ccc(CN=c4[n-]nc(C5CC5)o4)cc3)ccc2O1 ZINC000342732492 1026887550 /nfs/dbraw/zinc/88/75/50/1026887550.db2.gz WJAJVFWNOARLDK-ZDUSSCGKSA-N -1 0 347.418 3.971 20 0 EHADRM CCO[C@H]1CCN(C(=O)c2ccc(Cl)c(Cl)c2[O-])C[C@H]1C ZINC000452826723 1027045583 /nfs/dbraw/zinc/04/55/83/1027045583.db2.gz LLQQERQIEVZXSH-SKDRFNHKSA-N -1 0 332.227 3.586 20 0 EHADRM CC[C@@]1(C)CCN(C(=O)c2nn(-c3cccc(C(C)C)c3)cc2[O-])C1 ZINC000531576588 1027063066 /nfs/dbraw/zinc/06/30/66/1027063066.db2.gz HAMNHTOEPZZAJD-FQEVSTJZSA-N -1 0 341.455 3.964 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)c2ccc(C)c(F)c2)s[n-]1 ZINC000472249650 1027063388 /nfs/dbraw/zinc/06/33/88/1027063388.db2.gz KPQADDFOHULZNI-UHFFFAOYSA-N -1 0 333.413 3.697 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCOC2(CCC2)C1 ZINC000897283629 1027087089 /nfs/dbraw/zinc/08/70/89/1027087089.db2.gz HABINKAHJYJYMA-SECBINFHSA-N -1 0 330.211 3.987 20 0 EHADRM COc1c(C)ccc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)c1C ZINC000027057279 1027199231 /nfs/dbraw/zinc/19/92/31/1027199231.db2.gz GEKUAQDJFFVPRY-HNNXBMFYSA-N -1 0 327.380 3.509 20 0 EHADRM Cc1cc(F)cc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000345964044 1027225989 /nfs/dbraw/zinc/22/59/89/1027225989.db2.gz OQPSJXRGRHQGMU-OAHLLOKOSA-N -1 0 335.762 3.733 20 0 EHADRM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000614738266 1027228814 /nfs/dbraw/zinc/22/88/14/1027228814.db2.gz XDAKOCWBGSOHJS-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM Cc1cc(Br)oc1C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000531744181 1027295366 /nfs/dbraw/zinc/29/53/66/1027295366.db2.gz TXGKPHZVRNNMSO-UHFFFAOYSA-N -1 0 338.157 3.609 20 0 EHADRM FC(F)(F)c1cscc1CN=c1[n-]nc(C2CCOCC2)s1 ZINC000453054546 1027298906 /nfs/dbraw/zinc/29/89/06/1027298906.db2.gz XRHJABLGCHEZAG-UHFFFAOYSA-N -1 0 349.403 3.546 20 0 EHADRM Cc1ccc2oc(-c3n[n-]c(=NCc4ccnn4C(C)C)o3)cc2c1 ZINC000453055207 1027299018 /nfs/dbraw/zinc/29/90/18/1027299018.db2.gz YTXXDQGDLJEEDZ-UHFFFAOYSA-N -1 0 337.383 3.603 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)[C@H](C)CC2CCCCC2)c1 ZINC000531749283 1027306389 /nfs/dbraw/zinc/30/63/89/1027306389.db2.gz QAVVFUSMTHHLIL-KDOFPFPSSA-N -1 0 347.455 3.934 20 0 EHADRM Cc1ccc(Cl)c(NC(=O)c2nn(-c3ccccc3F)cc2[O-])c1 ZINC000475479750 1027382187 /nfs/dbraw/zinc/38/21/87/1027382187.db2.gz NGJFTSNQDQOTSJ-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM Cc1onc(-c2ccncc2)c1-c1nc(-c2ccc(O)c(F)c2)no1 ZINC000350608197 1027393645 /nfs/dbraw/zinc/39/36/45/1027393645.db2.gz JVEDWOATMDBBOU-UHFFFAOYSA-N -1 0 338.298 3.607 20 0 EHADRM CCO[C@H](CC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1)C1=CCCC1 ZINC000414446126 1027396258 /nfs/dbraw/zinc/39/62/58/1027396258.db2.gz IUFQVKTVBGAMAA-CXAGYDPISA-N -1 0 331.412 3.719 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c2ccccc21 ZINC000392043374 1027407768 /nfs/dbraw/zinc/40/77/68/1027407768.db2.gz GJKKDQXXZFAYCS-LJIGWXMPSA-N -1 0 327.424 3.808 20 0 EHADRM Cc1cc(=NC(=O)N(Cc2ccc3ccccc3c2)C2CC2)[n-]nc1C ZINC000531814195 1027417452 /nfs/dbraw/zinc/41/74/52/1027417452.db2.gz SIQPCRNGOCQFRD-UHFFFAOYSA-N -1 0 346.434 3.865 20 0 EHADRM Cc1cccc(S(=O)(=O)Nc2ccc3oc(C4CC4)nc3c2)c1 ZINC000046303773 1027429724 /nfs/dbraw/zinc/42/97/24/1027429724.db2.gz BEEDVZPGFROXJS-UHFFFAOYSA-N -1 0 328.393 3.814 20 0 EHADRM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccccc3C)n[nH]2)s1 ZINC000444419845 1027446958 /nfs/dbraw/zinc/44/69/58/1027446958.db2.gz PAWOIJHBJFZGCH-UHFFFAOYSA-N -1 0 333.438 3.556 20 0 EHADRM Cc1ccc([C@H](NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)c2ccccc2)cc1 ZINC000414450604 1027467489 /nfs/dbraw/zinc/46/74/89/1027467489.db2.gz YCDBKGLOQBLANJ-CEXWTWQISA-N -1 0 337.419 3.702 20 0 EHADRM CCO[C@@H](CC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1)C1=CCCC1 ZINC000414456577 1027554117 /nfs/dbraw/zinc/55/41/17/1027554117.db2.gz UCZMEOPCIRUIEX-GUYCJALGSA-N -1 0 331.412 3.719 20 0 EHADRM COc1ccccc1C(=O)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000129545257 1027573721 /nfs/dbraw/zinc/57/37/21/1027573721.db2.gz QBDHOEVRFZZGLW-UHFFFAOYSA-N -1 0 340.162 3.529 20 0 EHADRM CC(=O)[C@@H]1C[C@H](CC(=O)Nc2ccc3[n-]c(=S)oc3c2)C1(C)C ZINC000273799830 1027631607 /nfs/dbraw/zinc/63/16/07/1027631607.db2.gz ZVAFVVDPMTVPDR-PWSUYJOCSA-N -1 0 332.425 3.696 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)CCC1 ZINC000262526723 1027655586 /nfs/dbraw/zinc/65/55/86/1027655586.db2.gz OVMIJGNXKBQXOM-INIZCTEOSA-N -1 0 335.831 3.942 20 0 EHADRM Cc1cccc(C)c1[C@@H](C)NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000414645687 1027674318 /nfs/dbraw/zinc/67/43/18/1027674318.db2.gz QRRYYJGBIIMEHL-CQSZACIVSA-N -1 0 326.396 3.562 20 0 EHADRM CN(CC(=O)[O-])c1ccc(-c2nc(-c3cccc4ccoc43)no2)cc1 ZINC001211942176 1027749597 /nfs/dbraw/zinc/74/95/97/1027749597.db2.gz HQYSVZUCWKKPLG-UHFFFAOYSA-N -1 0 349.346 3.671 20 0 EHADRM COc1ccc2cc([C@H](C)C(=O)N[C@H](CC(C)C)C(=O)[O-])ccc2c1 ZINC000028251314 1027763175 /nfs/dbraw/zinc/76/31/75/1027763175.db2.gz WHRJKWKTBXHAFX-SCLBCKFNSA-N -1 0 343.423 3.567 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2cc(C)c(Cl)s2)n1 ZINC000582807272 1027777983 /nfs/dbraw/zinc/77/79/83/1027777983.db2.gz APBPDPFUZUDWLW-UHFFFAOYSA-N -1 0 334.875 3.628 20 0 EHADRM CCSCc1cccc(NC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000422543455 1027785081 /nfs/dbraw/zinc/78/50/81/1027785081.db2.gz RZAZMPRAGKQMPN-JSGCOSHPSA-N -1 0 336.457 3.514 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1noc2cc(Cl)ccc21 ZINC000582808837 1027801499 /nfs/dbraw/zinc/80/14/99/1027801499.db2.gz XZOPRVUMAJVGPT-UHFFFAOYSA-N -1 0 328.802 3.652 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cccc(OC3CCCCC3)c2)C1 ZINC000422584162 1027810959 /nfs/dbraw/zinc/81/09/59/1027810959.db2.gz DUELNWZWJNYMBJ-HOCLYGCPSA-N -1 0 345.439 3.581 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)Nc1ccc2oc(C(C)C)nc2c1)C1CC1 ZINC000582823464 1027863369 /nfs/dbraw/zinc/86/33/69/1027863369.db2.gz FVXNWNFFCYELRK-CQSZACIVSA-N -1 0 345.399 3.811 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000582845316 1027992355 /nfs/dbraw/zinc/99/23/55/1027992355.db2.gz OZFGBZBMBBRJAI-CABZTGNLSA-N -1 0 331.334 3.630 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCC[C@H](C(C)C)C2)n1 ZINC000444528838 1028010122 /nfs/dbraw/zinc/01/01/22/1028010122.db2.gz ZKKXZHSWZBWTNH-AWEZNQCLSA-N -1 0 345.418 3.534 20 0 EHADRM Cc1cc(C)cc(CN(C)C(=O)N=c2ccc(-c3ccccc3)n[n-]2)c1 ZINC000434207125 1028042364 /nfs/dbraw/zinc/04/23/64/1028042364.db2.gz CUEVURHVCWVQKX-UHFFFAOYSA-N -1 0 346.434 3.846 20 0 EHADRM Cc1ccc(C(=O)CSc2nc(C(F)(F)F)cc(=O)[nH]2)cc1C ZINC000261429427 1028070975 /nfs/dbraw/zinc/07/09/75/1028070975.db2.gz PMEQGFUCWJPGIK-UHFFFAOYSA-N -1 0 342.342 3.793 20 0 EHADRM Cc1ccc2c(c1)C(=N[N-]c1nc(-c3ccccc3)cs1)C(=O)N2 ZINC000023099253 1028089058 /nfs/dbraw/zinc/08/90/58/1028089058.db2.gz RDZOCDSAYCZXMR-UHFFFAOYSA-N -1 0 334.404 3.958 20 0 EHADRM CCSc1ccc(Cl)cc1[N-]S(=O)(=O)C[C@H](CC)OC ZINC000421143510 1028130672 /nfs/dbraw/zinc/13/06/72/1028130672.db2.gz ANYVIKPMLOXCGY-NSHDSACASA-N -1 0 337.894 3.619 20 0 EHADRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000614838761 1028159438 /nfs/dbraw/zinc/15/94/38/1028159438.db2.gz JEIJJCZUJSCPAF-UHFFFAOYSA-N -1 0 343.807 3.987 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2C)nn1C(C)C ZINC000421172579 1028172251 /nfs/dbraw/zinc/17/22/51/1028172251.db2.gz KALYJZLINJLNJU-UHFFFAOYSA-N -1 0 327.837 3.535 20 0 EHADRM CCCCS(=O)(=O)[N-]C(=O)CCCCCc1ccc(OC)cc1 ZINC000067600312 1028311488 /nfs/dbraw/zinc/31/14/88/1028311488.db2.gz YUDTXIWPPOOUAM-UHFFFAOYSA-N -1 0 341.473 3.885 20 0 EHADRM CCOc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000533690674 1028349903 /nfs/dbraw/zinc/34/99/03/1028349903.db2.gz LKNDOZUEZQKAPN-UHFFFAOYSA-N -1 0 329.780 3.679 20 0 EHADRM O=S(=O)([N-]c1cccc(-c2cnco2)c1)c1ccc(Cl)s1 ZINC000057119325 1028352096 /nfs/dbraw/zinc/35/20/96/1028352096.db2.gz PLLDSBSFYYTLEA-UHFFFAOYSA-N -1 0 340.813 3.857 20 0 EHADRM c1ccc(-c2nc(=N[C@@H](c3ccccc3)[C@H]3CCCO3)s[n-]2)cc1 ZINC000504060639 1028374274 /nfs/dbraw/zinc/37/42/74/1028374274.db2.gz SFKCBSPAPAGWQD-SJORKVTESA-N -1 0 337.448 3.959 20 0 EHADRM O=C(Nc1cccc2cccnc21)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000354334853 1028392520 /nfs/dbraw/zinc/39/25/20/1028392520.db2.gz DUVAGNSSGJXJEJ-UHFFFAOYSA-N -1 0 348.337 3.518 20 0 EHADRM COc1ccccc1[C@H](C)SCc1nc(=O)c2sccc2[n-]1 ZINC000079010939 1028406312 /nfs/dbraw/zinc/40/63/12/1028406312.db2.gz VSOARVNVUPOQHE-JTQLQIEISA-N -1 0 332.450 3.988 20 0 EHADRM CC1(C)CNC(=O)c2cc(Nc3cc(Cl)cc(C(=O)[O-])c3)ccc21 ZINC001211969765 1028439446 /nfs/dbraw/zinc/43/94/46/1028439446.db2.gz ZEUJREGDCJGJSR-UHFFFAOYSA-N -1 0 344.798 3.803 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)NC2CCC3(CC3)CC2)s[n-]1 ZINC000434222245 1028502488 /nfs/dbraw/zinc/50/24/88/1028502488.db2.gz GYPDUDVRTBQUOA-UHFFFAOYSA-N -1 0 348.497 3.841 20 0 EHADRM O=C(N[C@H](c1ccccc1)c1ccncc1)c1ccc([O-])c(Cl)c1 ZINC000072627762 1028509931 /nfs/dbraw/zinc/50/99/31/1028509931.db2.gz DPUHEEFJRAHQFO-GOSISDBHSA-N -1 0 338.794 3.960 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)s1 ZINC000504223829 1028511853 /nfs/dbraw/zinc/51/18/53/1028511853.db2.gz YGWAMUBZZCBFCT-UHFFFAOYSA-N -1 0 329.418 3.691 20 0 EHADRM CCCOc1ccccc1NC(=O)N=c1[n-]nc(SCC)s1 ZINC000502673155 1028514812 /nfs/dbraw/zinc/51/48/12/1028514812.db2.gz YZUOTFKTUHULGO-UHFFFAOYSA-N -1 0 338.458 3.505 20 0 EHADRM COc1cc(NC(=O)CCCc2ccc(O)c(F)c2)c(C)c(OC)c1 ZINC000504265403 1028538823 /nfs/dbraw/zinc/53/88/23/1028538823.db2.gz NLMKFSOESWKWBU-UHFFFAOYSA-N -1 0 347.386 3.818 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000236882311 1028593575 /nfs/dbraw/zinc/59/35/75/1028593575.db2.gz IIHRUVSRWQDPOZ-HZPDHXFCSA-N -1 0 347.455 3.825 20 0 EHADRM CCC[C@@](C)(NC(=O)c1ccc(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC000236978914 1028606614 /nfs/dbraw/zinc/60/66/14/1028606614.db2.gz ZOFSCMMWBFIWFX-QGZVFWFLSA-N -1 0 335.400 3.927 20 0 EHADRM Cc1ccccc1-c1nc(CN=c2[n-]nc(-c3ccccc3)s2)no1 ZINC000583045936 1028648099 /nfs/dbraw/zinc/64/80/99/1028648099.db2.gz VQNQXUSGLWYNET-UHFFFAOYSA-N -1 0 349.419 3.598 20 0 EHADRM Cc1ccc([C@H](NC(=O)c2ccnc(C(=O)[O-])c2)c2ccccc2)cc1 ZINC000237641586 1028658807 /nfs/dbraw/zinc/65/88/07/1028658807.db2.gz BIGJMWRVNWFHKZ-LJQANCHMSA-N -1 0 346.386 3.608 20 0 EHADRM Cc1[nH]c2c(cccc2C(=O)Nc2cccc(OCC(=O)[O-])c2)c1C ZINC000237725859 1028661813 /nfs/dbraw/zinc/66/18/13/1028661813.db2.gz TVWQSUNNVWHKLV-UHFFFAOYSA-N -1 0 338.363 3.500 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cccc(-n2cccc2)c1)c1ccccc1 ZINC000237682201 1028662244 /nfs/dbraw/zinc/66/22/44/1028662244.db2.gz QUMPYCGQRVWMDI-DNVCBOLYSA-N -1 0 348.402 3.669 20 0 EHADRM C[C@H](c1cc(Cl)ccc1Cl)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000583048697 1028664635 /nfs/dbraw/zinc/66/46/35/1028664635.db2.gz ZGEOPTSXKOQVGN-ZJUUUORDSA-N -1 0 341.242 3.758 20 0 EHADRM Cc1cc(C)cc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)c1 ZINC000237829011 1028666924 /nfs/dbraw/zinc/66/69/24/1028666924.db2.gz WFPDUAZECNGBJB-UHFFFAOYSA-N -1 0 325.408 3.811 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000237812930 1028667456 /nfs/dbraw/zinc/66/74/56/1028667456.db2.gz KVKYDHALRICUPN-UHFFFAOYSA-N -1 0 343.379 3.977 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)c2cc(Cl)ccc2C)n1 ZINC000504508959 1028694974 /nfs/dbraw/zinc/69/49/74/1028694974.db2.gz ZRTPSHWIRAWYHM-UHFFFAOYSA-N -1 0 330.862 3.858 20 0 EHADRM Clc1cc(Cl)cc(-c2n[n-]c(=NCc3cccnc3)s2)c1 ZINC000504525260 1028711559 /nfs/dbraw/zinc/71/15/59/1028711559.db2.gz JGRMJUKUFVYWRP-UHFFFAOYSA-N -1 0 337.235 3.941 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2c(F)cc(C)cc2F)cc1C ZINC000424061514 1028782956 /nfs/dbraw/zinc/78/29/56/1028782956.db2.gz JEJMFYQFGZICFY-SNVBAGLBSA-N -1 0 343.399 3.550 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccsc2)s1)NCCCC1CCCC1 ZINC000502905258 1028838129 /nfs/dbraw/zinc/83/81/29/1028838129.db2.gz MAUROFRDAZRSRX-UHFFFAOYSA-N -1 0 336.486 3.780 20 0 EHADRM COCC[C@H](N=c1[n-]nc(C)s1)c1ccc(Cl)c(Cl)c1 ZINC000343065182 1028922669 /nfs/dbraw/zinc/92/26/69/1028922669.db2.gz SLAVGZGANGARHU-LBPRGKRZSA-N -1 0 332.256 3.765 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)c(C)n1C1CCCCC1 ZINC000532875822 1028960219 /nfs/dbraw/zinc/96/02/19/1028960219.db2.gz PUUBKZHEADJCPX-INIZCTEOSA-N -1 0 346.471 3.937 20 0 EHADRM O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1ccc(F)c(F)c1F ZINC000016129950 1028979511 /nfs/dbraw/zinc/97/95/11/1028979511.db2.gz HWXGXRSYMPKPQH-UHFFFAOYSA-N -1 0 339.697 3.697 20 0 EHADRM C[C@H](c1ccccc1)N(C)C(=O)[C@](C)(CC(=O)[O-])c1ccsc1 ZINC000634853815 1029036972 /nfs/dbraw/zinc/03/69/72/1029036972.db2.gz FDCGGXWZBYXWKS-FZKQIMNGSA-N -1 0 331.437 3.700 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccnn2CC(C)C)cc1 ZINC000524298110 1029059362 /nfs/dbraw/zinc/05/93/62/1029059362.db2.gz QSBQDPPJCQQJGU-CQSZACIVSA-N -1 0 335.473 3.853 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N[C@H](C)c2cc3ccccc3o2)s1 ZINC000503119836 1029065195 /nfs/dbraw/zinc/06/51/95/1029065195.db2.gz PCQCMROGSWHXMS-LLVKDONJSA-N -1 0 344.440 3.932 20 0 EHADRM CC(C)(C)Cc1n[n-]c(=NCc2ccc(C(=O)OC(C)(C)C)cc2)o1 ZINC000428416339 1029080026 /nfs/dbraw/zinc/08/00/26/1029080026.db2.gz ABIYPTOKRWHGBE-UHFFFAOYSA-N -1 0 345.443 3.648 20 0 EHADRM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc3c2ccn3C)c1 ZINC000532983343 1029141209 /nfs/dbraw/zinc/14/12/09/1029141209.db2.gz KTAFTAARFQZCFN-UHFFFAOYSA-N -1 0 342.420 3.572 20 0 EHADRM CSc1ccc(NC(=O)N(CC(=O)[O-])Cc2ccc(F)cc2)cc1 ZINC000583181909 1029152838 /nfs/dbraw/zinc/15/28/38/1029152838.db2.gz OXALDIYYUXAVIX-UHFFFAOYSA-N -1 0 348.399 3.666 20 0 EHADRM C[C@@H](CC(=O)NCCCCCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000237421514 1029199673 /nfs/dbraw/zinc/19/96/73/1029199673.db2.gz JPOODWKYPGHFON-LBPRGKRZSA-N -1 0 345.361 3.960 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(C(=O)N(C)[C@H](C)CC(=O)[O-])cc1F ZINC000583214308 1029275838 /nfs/dbraw/zinc/27/58/38/1029275838.db2.gz DNDSYPUKLAFDCH-GFCCVEGCSA-N -1 0 347.361 3.875 20 0 EHADRM CCC[C@@](C)(NC(=O)N[C@@H](C)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000583222783 1029306412 /nfs/dbraw/zinc/30/64/12/1029306412.db2.gz PGRYTFOHYGMRAV-BJOHPYRUSA-N -1 0 347.242 3.997 20 0 EHADRM O=C(c1cc(Cl)cc(Br)c1[O-])N1CCC=C(F)C1 ZINC000272120325 1029319772 /nfs/dbraw/zinc/31/97/72/1029319772.db2.gz QESPIUMYIJIESD-UHFFFAOYSA-N -1 0 334.572 3.507 20 0 EHADRM CCCO[C@@H]1CCCN(C(=O)CC2(CC(=O)[O-])CCCCC2)CC1 ZINC000634882571 1029339887 /nfs/dbraw/zinc/33/98/87/1029339887.db2.gz QIXFUQBTSXDCML-MRXNPFEDSA-N -1 0 339.476 3.609 20 0 EHADRM CCCc1n[n-]c(=NC(=O)c2sc3ccc(C)cc3c2C)s1 ZINC000446106710 1029399151 /nfs/dbraw/zinc/39/91/51/1029399151.db2.gz DAYBXVVUZJYMML-UHFFFAOYSA-N -1 0 331.466 3.996 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC000272314402 1029411368 /nfs/dbraw/zinc/41/13/68/1029411368.db2.gz ZVGLWGBFOIOKBJ-NEPJUHHUSA-N -1 0 329.318 3.902 20 0 EHADRM CCc1oc(C(=O)NCC2(c3ccccc3)CCCC2)cc1C(=O)[O-] ZINC000261599754 1029458876 /nfs/dbraw/zinc/45/88/76/1029458876.db2.gz AXJKXDZVEJEADE-UHFFFAOYSA-N -1 0 341.407 3.782 20 0 EHADRM CCc1oc(C(=O)N2CCC[C@H]2CCc2ccccc2)cc1C(=O)[O-] ZINC000261628601 1029461930 /nfs/dbraw/zinc/46/19/30/1029461930.db2.gz IZRHSJRYDZPIDG-HNNXBMFYSA-N -1 0 341.407 3.778 20 0 EHADRM CCc1oc(C(=O)N2CCC[C@@H]2c2cccc(OC)c2)cc1C(=O)[O-] ZINC000261626090 1029463151 /nfs/dbraw/zinc/46/31/51/1029463151.db2.gz IPBUBTPFAKAWRQ-OAHLLOKOSA-N -1 0 343.379 3.526 20 0 EHADRM CCc1oc(C(=O)N2CCC[C@@H]2c2cccc(C)c2)cc1C(=O)[O-] ZINC000261624487 1029477685 /nfs/dbraw/zinc/47/76/85/1029477685.db2.gz IKFDFLKTZPHRMN-OAHLLOKOSA-N -1 0 327.380 3.826 20 0 EHADRM CCc1oc(C(=O)N2C[C@H](C)C[C@@H]2c2cccc(F)c2)cc1C(=O)[O-] ZINC000261621944 1029477874 /nfs/dbraw/zinc/47/78/74/1029477874.db2.gz HVZFXWCJVLXZER-IAQYHMDHSA-N -1 0 345.370 3.903 20 0 EHADRM CC(C)C[C@@](C)(CC(=O)[O-])C(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000634900072 1029529003 /nfs/dbraw/zinc/52/90/03/1029529003.db2.gz BYCKRGZZTNVITB-YJBOKZPZSA-N -1 0 339.476 3.512 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cccc(-c3ncco3)c2)CCCCC1 ZINC000634904170 1029554522 /nfs/dbraw/zinc/55/45/22/1029554522.db2.gz JAEFRHWLPDCNAZ-UHFFFAOYSA-N -1 0 328.368 3.705 20 0 EHADRM CSc1cc(C(=O)N([C@@H](C)C(=O)[O-])C2CC2)c(Cl)cc1Cl ZINC000262130034 1029560893 /nfs/dbraw/zinc/56/08/93/1029560893.db2.gz KQJHDCTUESGHJF-ZETCQYMHSA-N -1 0 348.251 3.793 20 0 EHADRM C[C@@H](CC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccccc1F ZINC000262170146 1029570375 /nfs/dbraw/zinc/57/03/75/1029570375.db2.gz LIEAHQDYACVKFZ-GUYCJALGSA-N -1 0 341.382 3.530 20 0 EHADRM Cc1ccsc1CN(C)C(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000262565669 1029606136 /nfs/dbraw/zinc/60/61/36/1029606136.db2.gz BGDLODHFHBPIHP-GFCCVEGCSA-N -1 0 349.477 3.894 20 0 EHADRM C[C@@H]1[C@@H](c2cccc(F)c2)OCCN1C(=O)c1ccc(Cl)cc1O ZINC000648585105 1029626529 /nfs/dbraw/zinc/62/65/29/1029626529.db2.gz QKEVZOKKEDVARC-DIFFPNOSSA-N -1 0 349.789 3.787 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000262810060 1029638633 /nfs/dbraw/zinc/63/86/33/1029638633.db2.gz DHQMPCLRTSELRW-NZSAHSFTSA-N -1 0 343.467 3.920 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000262828050 1029641252 /nfs/dbraw/zinc/64/12/52/1029641252.db2.gz FOZGYBDGLZYALO-SJORKVTESA-N -1 0 343.810 3.589 20 0 EHADRM CC(C)[C@@H](CC(=O)N1CC[C@](C(=O)[O-])(C(C)C)C1)c1ccccc1 ZINC000262935291 1029651992 /nfs/dbraw/zinc/65/19/92/1029651992.db2.gz KHXSVERUSRAQHM-YLJYHZDGSA-N -1 0 331.456 3.776 20 0 EHADRM CC(C)(C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC000262944905 1029652106 /nfs/dbraw/zinc/65/21/06/1029652106.db2.gz CREXZOGWZVXEAM-GOSISDBHSA-N -1 0 339.435 3.557 20 0 EHADRM CCCCn1ncc(NC(=O)NC(C)(C)CCC(=O)[O-])c1C(C)C ZINC000263049829 1029661020 /nfs/dbraw/zinc/66/10/20/1029661020.db2.gz NCURLSWXUSNGEW-UHFFFAOYSA-N -1 0 338.452 3.572 20 0 EHADRM CCC(CC)n1ncc(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)c1C ZINC000263058769 1029661618 /nfs/dbraw/zinc/66/16/18/1029661618.db2.gz APMOUHJQSICLDY-UHFFFAOYSA-N -1 0 347.390 3.571 20 0 EHADRM C[C@H](CCC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-])c1ccccc1 ZINC000263099537 1029665980 /nfs/dbraw/zinc/66/59/80/1029665980.db2.gz ISGZQYHDILEWFX-DDBAPUKQSA-N -1 0 329.440 3.815 20 0 EHADRM C[C@@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)C1(c2ccccc2)CCCC1 ZINC000263193568 1029672839 /nfs/dbraw/zinc/67/28/39/1029672839.db2.gz IXDAUKQYMYKACA-OAGGEKHMSA-N -1 0 329.440 3.504 20 0 EHADRM Cc1cc(C(=O)N[C@@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])c(C)o1 ZINC000263190470 1029673425 /nfs/dbraw/zinc/67/34/25/1029673425.db2.gz XRIHUQNYHUBEGT-QAPCUYQASA-N -1 0 341.407 3.590 20 0 EHADRM CCOc1ccccc1-c1cccc(C(=O)N(C)CCCC(=O)[O-])c1 ZINC000263244829 1029679439 /nfs/dbraw/zinc/67/94/39/1029679439.db2.gz HJFPLYHXEJMDIG-UHFFFAOYSA-N -1 0 341.407 3.689 20 0 EHADRM CCN=c1[n-]nc(S[C@H](C)C(=O)c2ccc(C(C)C)cc2)s1 ZINC000525109479 1029680524 /nfs/dbraw/zinc/68/05/24/1029680524.db2.gz KIIFYOLTZVUXJT-LLVKDONJSA-N -1 0 335.498 3.879 20 0 EHADRM C/C=C/C[C@H](NC(=O)c1cc(SC)c(Cl)cc1Cl)C(=O)[O-] ZINC000263306506 1029686301 /nfs/dbraw/zinc/68/63/01/1029686301.db2.gz VZTPYSJLIYEFRR-UFFNRZRYSA-N -1 0 348.251 3.865 20 0 EHADRM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000263323282 1029687444 /nfs/dbraw/zinc/68/74/44/1029687444.db2.gz OCPBVTYKXTWIAR-XDNAFOTISA-N -1 0 329.440 3.672 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000263363241 1029691641 /nfs/dbraw/zinc/69/16/41/1029691641.db2.gz YZMJRYAZOKVWEH-UONOGXRCSA-N -1 0 333.428 3.941 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1cc(C(=O)[O-])ccn1 ZINC000263378933 1029693577 /nfs/dbraw/zinc/69/35/77/1029693577.db2.gz CAQBAXHNUJTCSE-NWDGAFQWSA-N -1 0 346.814 3.697 20 0 EHADRM O=C([O-])CCNC(=O)N(Cc1cccc2ccccc21)C1CCCC1 ZINC000263403083 1029695167 /nfs/dbraw/zinc/69/51/67/1029695167.db2.gz SLXFCZLFGMAVTR-UHFFFAOYSA-N -1 0 340.423 3.769 20 0 EHADRM CN(c1ccccc1)C1CCN(C(=O)c2ccc([O-])c(Cl)c2)CC1 ZINC000079704517 1029697738 /nfs/dbraw/zinc/69/77/38/1029697738.db2.gz SNUQPDNLNMLSIK-UHFFFAOYSA-N -1 0 344.842 3.787 20 0 EHADRM CCN(C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1)[C@@H](C)C(C)C ZINC000263494640 1029704487 /nfs/dbraw/zinc/70/44/87/1029704487.db2.gz SKPDVDGFWHDLQL-DOTOQJQBSA-N -1 0 334.460 3.539 20 0 EHADRM C[C@@H]1CCN(C(=O)NCc2ccc(C(=O)[O-])cc2)[C@@H](c2ccco2)C1 ZINC000263485038 1029704752 /nfs/dbraw/zinc/70/47/52/1029704752.db2.gz PDXJOLDZOWHRHI-CZUORRHYSA-N -1 0 342.395 3.661 20 0 EHADRM COc1ccccc1-c1cccc(NC(=O)N(C)C[C@@H](C)C(=O)[O-])c1 ZINC000263515240 1029707535 /nfs/dbraw/zinc/70/75/35/1029707535.db2.gz ZMPHYCJUIHIPEO-CYBMUJFWSA-N -1 0 342.395 3.547 20 0 EHADRM Cc1ccc([C@H](CNC(=O)c2cccn2C2CCCC2)C(=O)[O-])cc1 ZINC000431531675 1029750839 /nfs/dbraw/zinc/75/08/39/1029750839.db2.gz VTENKHXSVZIBKZ-KRWDZBQOSA-N -1 0 340.423 3.510 20 0 EHADRM COc1ccc([C@@H](N=c2[n-]nc(C)s2)c2ccc(C)cc2)cc1 ZINC000525364741 1029813299 /nfs/dbraw/zinc/81/32/99/1029813299.db2.gz WWQGGMYPKDVDFH-KRWDZBQOSA-N -1 0 325.437 3.787 20 0 EHADRM Fc1ccc(CN=c2[n-]nc(-c3ccccc3)o2)c(C(F)(F)F)c1 ZINC000508579816 1029872664 /nfs/dbraw/zinc/87/26/64/1029872664.db2.gz QXXBDWIGQVYRNT-UHFFFAOYSA-N -1 0 337.276 3.929 20 0 EHADRM CCCc1nc(=NC(=O)N2C[C@@H](c3ccccc3C)C[C@@H]2C)s[n-]1 ZINC000583468643 1029873170 /nfs/dbraw/zinc/87/31/70/1029873170.db2.gz CGKNRZAFCIAMFE-KBPBESRZSA-N -1 0 344.484 3.631 20 0 EHADRM CCCc1nc(=NC(=O)N2C[C@@H](c3ccccc3C)C[C@H]2C)s[n-]1 ZINC000583468644 1029873225 /nfs/dbraw/zinc/87/32/25/1029873225.db2.gz CGKNRZAFCIAMFE-KGLIPLIRSA-N -1 0 344.484 3.631 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000324473177 1029874596 /nfs/dbraw/zinc/87/45/96/1029874596.db2.gz KUITXNZDRXCJTP-IKGGRYGDSA-N -1 0 329.440 3.947 20 0 EHADRM Cc1ccc(-c2n[n-]c(=NCc3cnc(C(F)(F)F)s3)o2)s1 ZINC000446967713 1029875298 /nfs/dbraw/zinc/87/52/98/1029875298.db2.gz TWMJTEZLSRVJPU-UHFFFAOYSA-N -1 0 346.359 3.616 20 0 EHADRM CCc1[nH]nc([N-]S(=O)(=O)c2cccc(C)c2)c1-c1cccs1 ZINC000446970751 1029875498 /nfs/dbraw/zinc/87/54/98/1029875498.db2.gz GNEACQZCMHZATN-UHFFFAOYSA-N -1 0 347.465 3.810 20 0 EHADRM Cc1cccc(N=c2[n-]nc(SC[C@H]3CCO[C@@H](C)C3)s2)c1 ZINC000447112358 1029927848 /nfs/dbraw/zinc/92/78/48/1029927848.db2.gz VIJFNEZLSZEKOX-STQMWFEESA-N -1 0 335.498 3.919 20 0 EHADRM COCc1n[n-]c(=NCc2ccccc2Oc2cccc(F)c2)s1 ZINC000531910274 1030028349 /nfs/dbraw/zinc/02/83/49/1030028349.db2.gz NHAITYHPZGNUAD-UHFFFAOYSA-N -1 0 345.399 3.650 20 0 EHADRM Cc1cccc([C@@H](NCc2cnc(CC(C)C)s2)C(=O)[O-])c1C ZINC000426740168 1030039878 /nfs/dbraw/zinc/03/98/78/1030039878.db2.gz HAWZQORFXPYAPX-QGZVFWFLSA-N -1 0 332.469 3.874 20 0 EHADRM CC(C)c1cccc(-c2ccc(C(=O)NCC(C)(C)C(=O)[O-])o2)c1 ZINC000431534966 1030045709 /nfs/dbraw/zinc/04/57/09/1030045709.db2.gz YVNKTYYYJDQVTI-UHFFFAOYSA-N -1 0 329.396 3.911 20 0 EHADRM COc1cc(C)cc([N-]S(=O)(=O)c2ccccc2Cl)c1C ZINC000447267823 1030055106 /nfs/dbraw/zinc/05/51/06/1030055106.db2.gz QCZRBPYBCDBMAG-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM CC(=O)Nc1cc(NC(=O)c2ccc(C)c(C)c2O)ccc1Cl ZINC000120705978 1030096412 /nfs/dbraw/zinc/09/64/12/1030096412.db2.gz ZTJZATOXBSYCTL-UHFFFAOYSA-N -1 0 332.787 3.873 20 0 EHADRM Cc1cc(Nc2ccc3ccccc3c2S(=O)(=O)[O-])ccc1CO ZINC001211587913 1030117964 /nfs/dbraw/zinc/11/79/64/1030117964.db2.gz DKAORGGRRAESTE-UHFFFAOYSA-N -1 0 343.404 3.631 20 0 EHADRM CCCN(CC(C)C)C(=O)N=c1[n-]nc(-c2ccc(OC)cc2)s1 ZINC000481954952 1030133213 /nfs/dbraw/zinc/13/32/13/1030133213.db2.gz RNWFOQIZVADIBI-UHFFFAOYSA-N -1 0 348.472 3.536 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N3CCC(C)CC3)s2)c1 ZINC000481972883 1030140358 /nfs/dbraw/zinc/14/03/58/1030140358.db2.gz KSQUVTAGGVLTFL-UHFFFAOYSA-N -1 0 330.457 3.508 20 0 EHADRM O=S(=O)([N-]c1cccnc1Nc1ccccc1)c1cccs1 ZINC000120899919 1030145362 /nfs/dbraw/zinc/14/53/62/1030145362.db2.gz ZGLJFVGQAXRTIZ-UHFFFAOYSA-N -1 0 331.422 3.688 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nc(-c3ccccc3)ns2)cc1C ZINC000121733974 1030353069 /nfs/dbraw/zinc/35/30/69/1030353069.db2.gz CIDQKOPOGDNTGB-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM Cc1ccc(F)c(CN(C)C(=O)c2cc(F)cc(Cl)c2[O-])c1 ZINC000447633455 1030371623 /nfs/dbraw/zinc/37/16/23/1030371623.db2.gz ALAQGWZJMUUDDL-UHFFFAOYSA-N -1 0 325.742 3.904 20 0 EHADRM Cc1ccc(Nc2nc(Br)cnc2Cl)cc1C(=O)[O-] ZINC001211594564 1030499849 /nfs/dbraw/zinc/49/98/49/1030499849.db2.gz ZPKQFQMEQFVKEW-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM O=S(=O)(Cc1cccc(Cl)c1)Nc1cccc2c1OCCC2 ZINC000583702979 1030502224 /nfs/dbraw/zinc/50/22/24/1030502224.db2.gz JURVUAPHHOPJPU-UHFFFAOYSA-N -1 0 337.828 3.607 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)Nc1ccc(F)c(F)c1)C1CCCCC1 ZINC000237614850 1030514271 /nfs/dbraw/zinc/51/42/71/1030514271.db2.gz RZEUFCLAZUGHQC-QGZVFWFLSA-N -1 0 325.355 3.965 20 0 EHADRM CCC(CC)C(=O)N[C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000447893557 1030574434 /nfs/dbraw/zinc/57/44/34/1030574434.db2.gz NYVXMFYKVOFZQN-CYBMUJFWSA-N -1 0 332.227 3.542 20 0 EHADRM CC(C)CCN(C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-])C1CC1 ZINC000666029413 1030683198 /nfs/dbraw/zinc/68/31/98/1030683198.db2.gz QURDVDCOVQJJCL-UHFFFAOYSA-N -1 0 349.381 3.507 20 0 EHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000194219000 1030704884 /nfs/dbraw/zinc/70/48/84/1030704884.db2.gz BEFPIPLQIQDGIQ-UHFFFAOYSA-N -1 0 327.405 3.958 20 0 EHADRM COc1cc(C(=O)N[C@H](C(C)(C)C)C(F)(F)F)cc(Cl)c1O ZINC000527203273 1030705578 /nfs/dbraw/zinc/70/55/78/1030705578.db2.gz ZKCRGEFTGOYMAW-GFCCVEGCSA-N -1 0 339.741 3.761 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)NC1(c2cccc(F)c2)CC1 ZINC000448147362 1030752017 /nfs/dbraw/zinc/75/20/17/1030752017.db2.gz PVJWRNFMTYDTDF-UHFFFAOYSA-N -1 0 348.381 3.515 20 0 EHADRM O=S(=O)(N[C@H](c1cccs1)c1ccc(F)cc1)c1ccco1 ZINC000527326934 1030798903 /nfs/dbraw/zinc/79/89/03/1030798903.db2.gz QMFCHWVPQQDNIO-HNNXBMFYSA-N -1 0 337.397 3.548 20 0 EHADRM Cc1cccc(F)c1NS(=O)(=O)c1ccccc1Br ZINC000123040906 1030868673 /nfs/dbraw/zinc/86/86/73/1030868673.db2.gz PFUXJNUYUVQDEW-UHFFFAOYSA-N -1 0 344.205 3.697 20 0 EHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(-c2ccccc2F)o1 ZINC000262797166 1030913459 /nfs/dbraw/zinc/91/34/59/1030913459.db2.gz AEGAUOQRCSSDEI-GOSISDBHSA-N -1 0 333.359 3.705 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2SCCc3ccccc32)c1 ZINC000262824766 1030920435 /nfs/dbraw/zinc/92/04/35/1030920435.db2.gz AZUNXRRGXDRARR-SJKOYZFVSA-N -1 0 341.432 3.844 20 0 EHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)Cc1c(Cl)cccc1Cl ZINC000262868180 1030936138 /nfs/dbraw/zinc/93/61/38/1030936138.db2.gz FXELCJRUSNUFCY-OAHLLOKOSA-N -1 0 332.227 3.542 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2nc(C3CCC3)cs2)c(C)c1 ZINC000583851586 1030947260 /nfs/dbraw/zinc/94/72/60/1030947260.db2.gz UGQSCTRQBDYPIW-UHFFFAOYSA-N -1 0 338.454 3.528 20 0 EHADRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2ncc(C)s2)c1 ZINC000551027540 1030953285 /nfs/dbraw/zinc/95/32/85/1030953285.db2.gz YYJGKYXXWSLBFR-UHFFFAOYSA-N -1 0 330.862 3.858 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)N=c2ccc(C3CC3)n[n-]2)c1 ZINC000448353026 1030973765 /nfs/dbraw/zinc/97/37/65/1030973765.db2.gz WJEUAQPSQAOJSF-CQSZACIVSA-N -1 0 339.439 3.697 20 0 EHADRM Cc1cc(C)nc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)c1 ZINC000162366135 1031027061 /nfs/dbraw/zinc/02/70/61/1031027061.db2.gz QGGANOCTWPWCCB-UHFFFAOYSA-N -1 0 328.796 3.600 20 0 EHADRM COc1ccccc1-c1n[n-]c(=NCc2ccc(Cl)cc2C)o1 ZINC000551090361 1031033523 /nfs/dbraw/zinc/03/35/23/1031033523.db2.gz BSIBQIOUNWZOQA-UHFFFAOYSA-N -1 0 329.787 3.741 20 0 EHADRM CCOc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000551107818 1031040415 /nfs/dbraw/zinc/04/04/15/1031040415.db2.gz FXWTWIYMYOSQJR-UHFFFAOYSA-N -1 0 329.780 3.679 20 0 EHADRM COCc1n[n-]c(=N[C@@H](C)c2cc(F)c(Cl)cc2Cl)s1 ZINC000477004878 1031169296 /nfs/dbraw/zinc/16/92/96/1031169296.db2.gz YYSDHRUQRVZKOM-LURJTMIESA-N -1 0 336.219 3.725 20 0 EHADRM COc1cccc(-c2nc(=NC(=O)[C@@H]3CC34CCCCC4)s[n-]2)c1 ZINC000477252861 1031386770 /nfs/dbraw/zinc/38/67/70/1031386770.db2.gz RGSJOJNYNLGFMT-AWEZNQCLSA-N -1 0 343.452 3.545 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)ccc1F ZINC000584008867 1031410110 /nfs/dbraw/zinc/41/01/10/1031410110.db2.gz LYGFFGDBESMXKB-UHFFFAOYSA-N -1 0 335.734 3.867 20 0 EHADRM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cccc(CC(=O)[O-])c3)C2)cc1 ZINC000668300160 1031425911 /nfs/dbraw/zinc/42/59/11/1031425911.db2.gz CMXPYSHRLUGGGB-BEFAXECRSA-N -1 0 337.419 3.640 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@H](C1CCCCC1)C(F)(F)F ZINC000668301464 1031434051 /nfs/dbraw/zinc/43/40/51/1031434051.db2.gz KYEPXILDNYTOHI-GFCCVEGCSA-N -1 0 333.306 3.527 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000668314568 1031461305 /nfs/dbraw/zinc/46/13/05/1031461305.db2.gz SDDPXRQHSFGQAE-ZDUSSCGKSA-N -1 0 345.370 3.835 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000484151532 1031471881 /nfs/dbraw/zinc/47/18/81/1031471881.db2.gz HSHDJDYYMQROSS-LBPRGKRZSA-N -1 0 337.345 3.515 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N(C)c1ccc(OCc2ccccc2)cc1 ZINC000668318176 1031473878 /nfs/dbraw/zinc/47/38/78/1031473878.db2.gz IEFMUNOLDFYCGS-HNNXBMFYSA-N -1 0 341.407 3.729 20 0 EHADRM CC(C)(CC(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)C(=O)[O-] ZINC000668322886 1031484903 /nfs/dbraw/zinc/48/49/03/1031484903.db2.gz JBSXOZRDCLISCM-AULYBMBSSA-N -1 0 343.345 3.569 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)nn2C)c(C)c1 ZINC000477377530 1031490135 /nfs/dbraw/zinc/49/01/35/1031490135.db2.gz VWYVUMRHBJNBAB-UHFFFAOYSA-N -1 0 347.484 3.885 20 0 EHADRM O=C(N[C@@H]1CCOc2c(Cl)cccc21)c1cc(F)c([O-])c(F)c1 ZINC000177103698 1031510769 /nfs/dbraw/zinc/51/07/69/1031510769.db2.gz DCFNZFOXVJVNKS-CYBMUJFWSA-N -1 0 339.725 3.577 20 0 EHADRM O=C(Nc1cccc(OCCF)c1)c1cc(F)c([O-])c(Cl)c1 ZINC000194841968 1031559905 /nfs/dbraw/zinc/55/99/05/1031559905.db2.gz NOBBKOYMXRMZTO-UHFFFAOYSA-N -1 0 327.714 3.785 20 0 EHADRM COc1ccccc1[C@@H]1CCN(C(=O)c2ccc([O-])c(Cl)c2)C1 ZINC000133292496 1031574520 /nfs/dbraw/zinc/57/45/20/1031574520.db2.gz CPZRLYUDMYFKEQ-CYBMUJFWSA-N -1 0 331.799 3.684 20 0 EHADRM CC(C)c1ccc([C@@H](CC(=O)[O-])NCc2nccn2C(C)C)cc1 ZINC000904002202 1031587879 /nfs/dbraw/zinc/58/78/79/1031587879.db2.gz PNNGSARKMWAOHN-QGZVFWFLSA-N -1 0 329.444 3.893 20 0 EHADRM CC(C)c1ccc([C@@H](CC(=O)[O-])[NH2+]Cc2[nH]nc3ccccc32)cc1 ZINC000904001683 1031587974 /nfs/dbraw/zinc/58/79/74/1031587974.db2.gz DFQKCXQPZVDXEI-GOSISDBHSA-N -1 0 337.423 3.992 20 0 EHADRM CC(C)CCc1nnc([N-]S(=O)(=O)c2ccccc2C(C)C)o1 ZINC000194872735 1031588636 /nfs/dbraw/zinc/58/86/36/1031588636.db2.gz OAKGGWDVVMFZJY-UHFFFAOYSA-N -1 0 337.445 3.582 20 0 EHADRM CCOc1cncc(CNc2ccc(C[C@H](CC)C(=O)[O-])cc2)c1 ZINC000904015213 1031600168 /nfs/dbraw/zinc/60/01/68/1031600168.db2.gz IXULJGOPGHLBSZ-INIZCTEOSA-N -1 0 328.412 3.746 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)nn2C)c1 ZINC000178022535 1031608874 /nfs/dbraw/zinc/60/88/74/1031608874.db2.gz PVHRQHMDESTUAS-UHFFFAOYSA-N -1 0 333.457 3.577 20 0 EHADRM C[C@H]1CCCN(C(=O)c2cc(Br)c(F)cc2[O-])CC1 ZINC000448818866 1031715210 /nfs/dbraw/zinc/71/52/10/1031715210.db2.gz QCEGFJXSXQCRAJ-VIFPVBQESA-N -1 0 330.197 3.556 20 0 EHADRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)cc1F ZINC000475740410 1031737370 /nfs/dbraw/zinc/73/73/70/1031737370.db2.gz SJBBJSGNLBNQOI-UHFFFAOYSA-N -1 0 336.363 3.566 20 0 EHADRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000475742768 1031753526 /nfs/dbraw/zinc/75/35/26/1031753526.db2.gz TUFQTUKSNBRZIK-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM O=C(Cc1ccc(O)c(F)c1)Nc1ccc2[nH]c(C3CCC3)nc2c1 ZINC000448847467 1031778822 /nfs/dbraw/zinc/77/88/22/1031778822.db2.gz WTKZZDKFSQTQIB-UHFFFAOYSA-N -1 0 339.370 3.856 20 0 EHADRM COC(=O)[C@@H]1CCc2cc(Nc3ccc(C)c(C(=O)[O-])c3)ccc21 ZINC001211610317 1031790253 /nfs/dbraw/zinc/79/02/53/1031790253.db2.gz PXLRARKCGXTGQF-MRXNPFEDSA-N -1 0 325.364 3.640 20 0 EHADRM CCS[C@H]1CCCC[C@@H]1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000180130486 1031803314 /nfs/dbraw/zinc/80/33/14/1031803314.db2.gz JEAMWSWGXTYVIW-QWRGUYRKSA-N -1 0 333.375 3.604 20 0 EHADRM Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000180349775 1031843924 /nfs/dbraw/zinc/84/39/24/1031843924.db2.gz ADMFJELFTVZNTE-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM COc1ccc(NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)c(C)c1 ZINC000904199908 1031848840 /nfs/dbraw/zinc/84/88/40/1031848840.db2.gz OWHPWJUOVZQJGY-UHFFFAOYSA-N -1 0 344.411 3.510 20 0 EHADRM CCc1c(N[C@H]2C[C@@H](NC(=O)[O-])C23CCC3)cnn1C(CC)CC ZINC000904234140 1031883271 /nfs/dbraw/zinc/88/32/71/1031883271.db2.gz DYJYMKZAGKCTFP-JKSUJKDBSA-N -1 0 334.464 3.797 20 0 EHADRM COc1ccc([C@@H](NC(=O)c2ccc(O)cc2F)C(F)(F)F)cc1 ZINC000163826586 1031969818 /nfs/dbraw/zinc/96/98/18/1031969818.db2.gz HENZIIYRQKMPFM-CQSZACIVSA-N -1 0 343.276 3.573 20 0 EHADRM C[C@H](CC(=O)N[C@@](C)(CC(=O)[O-])c1cccc(F)c1)c1ccccc1 ZINC000449001896 1031999346 /nfs/dbraw/zinc/99/93/46/1031999346.db2.gz LQOADMCOMAKVRK-VLIAUNLRSA-N -1 0 343.398 3.826 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)Cc2ccc(C(=O)[O-])cc2)s1 ZINC000448986809 1032018705 /nfs/dbraw/zinc/01/87/05/1032018705.db2.gz USVANBZVWTTZRP-HNNXBMFYSA-N -1 0 329.421 3.661 20 0 EHADRM CCCCOc1ccc(Nc2cccc(S(=O)(=O)[O-])c2)cc1F ZINC001211612885 1032026651 /nfs/dbraw/zinc/02/66/51/1032026651.db2.gz LPQIWZCTIOVRDL-UHFFFAOYSA-N -1 0 339.388 3.995 20 0 EHADRM Cc1cc(=NC(=O)N2CCCC[C@H]2c2cccc(Cl)c2)[n-]nc1C ZINC000584271046 1032047279 /nfs/dbraw/zinc/04/72/79/1032047279.db2.gz VFHARVJSYOWHOO-INIZCTEOSA-N -1 0 344.846 3.928 20 0 EHADRM CC(C)(C)OC(=O)CCCCC(=O)Nc1cccc(Cl)c1[O-] ZINC000594336127 1033308495 /nfs/dbraw/zinc/30/84/95/1033308495.db2.gz PBMHFENGALQCSP-UHFFFAOYSA-N -1 0 327.808 3.886 20 0 EHADRM CCCc1n[n-]c(=NC(=O)c2sc3ccc(OC)cc3c2C)s1 ZINC000607770872 1033310106 /nfs/dbraw/zinc/31/01/06/1033310106.db2.gz WTMOYHZUJSZOTE-UHFFFAOYSA-N -1 0 347.465 3.697 20 0 EHADRM CC(C)(C)OC(=O)CCCCC(=O)Nc1ccc(F)c(F)c1[O-] ZINC000594374573 1033341703 /nfs/dbraw/zinc/34/17/03/1033341703.db2.gz DZIMBZFBZWDUIL-UHFFFAOYSA-N -1 0 329.343 3.511 20 0 EHADRM CCCSCC(=O)N1CCC([C@@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000598662602 1033361823 /nfs/dbraw/zinc/36/18/23/1033361823.db2.gz RXBJSFYGMFJTJQ-KRWDZBQOSA-N -1 0 349.496 3.627 20 0 EHADRM CC(C)(C)Cc1n[n-]c(=NCc2ccc(OC(F)(F)F)cc2)o1 ZINC000537488969 1033368171 /nfs/dbraw/zinc/36/81/71/1033368171.db2.gz IRJRISLUPKQGIX-UHFFFAOYSA-N -1 0 329.322 3.591 20 0 EHADRM CSC[C@H](C)c1nc(-c2cc(F)c([O-])c(Br)c2)no1 ZINC000598682547 1033382253 /nfs/dbraw/zinc/38/22/53/1033382253.db2.gz DNCBLZNLYNDSLH-LURJTMIESA-N -1 0 347.209 3.810 20 0 EHADRM C[C@@H](Cc1n[n-]c(=NCc2cn(C)nc2C(C)(C)C)o1)CC(C)(C)C ZINC000537490265 1033390887 /nfs/dbraw/zinc/39/08/87/1033390887.db2.gz CFBIPAGHOQJWNW-ZDUSSCGKSA-N -1 0 347.507 3.749 20 0 EHADRM CC[C@H](NC(=O)N=c1nc([C@@H](C)OC)[n-]s1)c1cc(C)ccc1C ZINC000529100742 1033397675 /nfs/dbraw/zinc/39/76/75/1033397675.db2.gz DSOLZXADWYCGQS-OCCSQVGLSA-N -1 0 348.472 3.557 20 0 EHADRM Cc1ccc(-c2nc(C(=O)N3CCC[C@@H]3CC(=O)[O-])cs2)c(C)c1 ZINC000455872013 1033436581 /nfs/dbraw/zinc/43/65/81/1033436581.db2.gz KVKNNFJAIZYDKK-CYBMUJFWSA-N -1 0 344.436 3.506 20 0 EHADRM CSCC1(CCNC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)CC1 ZINC000594660453 1033493119 /nfs/dbraw/zinc/49/31/19/1033493119.db2.gz FUTNCGGLPNVIMW-QGZVFWFLSA-N -1 0 341.517 3.697 20 0 EHADRM CCCOc1c(Cl)cc(CN=c2[n-]c(C(C)C)no2)cc1OC ZINC000537505700 1033513225 /nfs/dbraw/zinc/51/32/25/1033513225.db2.gz ZPELIUVBDGXDSN-UHFFFAOYSA-N -1 0 339.823 3.678 20 0 EHADRM C[C@@H]1CCCN(C(=O)c2cc(Br)c(F)cc2[O-])[C@@H]1C ZINC000449984497 1033519946 /nfs/dbraw/zinc/51/99/46/1033519946.db2.gz IHFNJMODNZWCAW-RKDXNWHRSA-N -1 0 330.197 3.554 20 0 EHADRM CC(C)n1cc([C@@H](C)N=c2[n-]c(-c3cccc(Cl)c3)no2)cn1 ZINC000603393287 1033582499 /nfs/dbraw/zinc/58/24/99/1033582499.db2.gz HIGTYBXDLPOUNM-LLVKDONJSA-N -1 0 331.807 3.762 20 0 EHADRM Cc1ccc(Cc2n[n-]c(=NC(=O)N(CC(C)C)C3CC3)s2)cc1 ZINC000594937037 1033586249 /nfs/dbraw/zinc/58/62/49/1033586249.db2.gz ACPCPUXWMYJGDA-UHFFFAOYSA-N -1 0 344.484 3.512 20 0 EHADRM CC[C@H]1C[C@H](C)CN1C(=O)c1cc(Br)c(F)cc1[O-] ZINC000450059656 1033651536 /nfs/dbraw/zinc/65/15/36/1033651536.db2.gz KPZAUABWHJXOGL-IUCAKERBSA-N -1 0 330.197 3.554 20 0 EHADRM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000107224902 1033653461 /nfs/dbraw/zinc/65/34/61/1033653461.db2.gz ZTXIRVDNLKPLEI-UHFFFAOYSA-N -1 0 346.235 3.595 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N2CC[C@@H](c3ccccc3)C2)s1 ZINC000476383917 1033723844 /nfs/dbraw/zinc/72/38/44/1033723844.db2.gz ZDLZXUNKGMFYFV-OAHLLOKOSA-N -1 0 344.484 3.885 20 0 EHADRM O=S(=O)(N[C@H](c1ccccc1)C(F)F)c1ccc(F)cc1Cl ZINC000431626933 1033801610 /nfs/dbraw/zinc/80/16/10/1033801610.db2.gz YANADMMHCIXPNB-CYBMUJFWSA-N -1 0 349.761 3.764 20 0 EHADRM Cc1ccc(-c2[n-][nH]c(=NC(=O)c3ccn(C)c3C3CCC3)c2C)o1 ZINC000450178433 1033859038 /nfs/dbraw/zinc/85/90/38/1033859038.db2.gz QZFUTXQPUHHFGP-UHFFFAOYSA-N -1 0 338.411 3.567 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)cc1 ZINC000608755407 1033866309 /nfs/dbraw/zinc/86/63/09/1033866309.db2.gz KGKSGXXLXGCIEI-UHFFFAOYSA-N -1 0 345.468 3.842 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)CCCOc2ccccc2)c1 ZINC000046929313 1033896382 /nfs/dbraw/zinc/89/63/82/1033896382.db2.gz FLZBBJLZWWUYHF-UHFFFAOYSA-N -1 0 347.436 3.808 20 0 EHADRM COCCN=c1[n-]nc(S[C@@H]2CCCCc3ccccc32)s1 ZINC000476479238 1033930657 /nfs/dbraw/zinc/93/06/57/1033930657.db2.gz FHRBWEPIZNZPDB-CQSZACIVSA-N -1 0 335.498 3.578 20 0 EHADRM O=C(Nc1ccc(OCC(F)(F)F)cc1)c1c([O-])cccc1F ZINC000119204201 1034090607 /nfs/dbraw/zinc/09/06/07/1034090607.db2.gz LPMYBBGZBKFFJJ-UHFFFAOYSA-N -1 0 329.249 3.725 20 0 EHADRM Cc1ccccc1COc1ccccc1C(=O)N=c1cc(C)c(C)n[n-]1 ZINC000604234070 1034289099 /nfs/dbraw/zinc/28/90/99/1034289099.db2.gz YGVTXCQPNXTWPP-UHFFFAOYSA-N -1 0 347.418 3.655 20 0 EHADRM CCOC(=O)c1csc(=N[C@H](C)c2cc3cccc(F)c3o2)[n-]1 ZINC000450476867 1034394866 /nfs/dbraw/zinc/39/48/66/1034394866.db2.gz SHWBCDWWBAKYHD-SECBINFHSA-N -1 0 334.372 3.800 20 0 EHADRM COc1ccc(CNC(=O)CC[C@H](C)c2ccccc2)cc1C(=O)[O-] ZINC000450494315 1034429191 /nfs/dbraw/zinc/42/91/91/1034429191.db2.gz KVTJYWYPJNTEQM-AWEZNQCLSA-N -1 0 341.407 3.594 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)CCCc2cc(F)ccc2F)cc1 ZINC000450517564 1034457150 /nfs/dbraw/zinc/45/71/50/1034457150.db2.gz NSCQIFAYTVFSCT-UHFFFAOYSA-N -1 0 347.361 3.943 20 0 EHADRM COc1ccc(CCCCCC(=O)N=c2ccc(C3CC3)n[n-]2)cc1 ZINC000604707788 1034462401 /nfs/dbraw/zinc/46/24/01/1034462401.db2.gz KOYDVLODFSVUCG-UHFFFAOYSA-N -1 0 339.439 3.526 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000450529983 1034489786 /nfs/dbraw/zinc/48/97/86/1034489786.db2.gz BIXZOVJOEYCGAM-CRAIPNDOSA-N -1 0 337.419 3.722 20 0 EHADRM COc1cccc([C@H]2CN(C(=O)c3c([O-])cccc3F)CC2(C)C)c1 ZINC000529730369 1034498790 /nfs/dbraw/zinc/49/87/90/1034498790.db2.gz WUGRTRQHZHBHBW-OAHLLOKOSA-N -1 0 343.398 3.806 20 0 EHADRM Cc1ccc([C@@H](NC(=O)N=c2nc(C(C)(C)C)[n-]s2)C2CC2)cc1 ZINC000604800287 1034508811 /nfs/dbraw/zinc/50/88/11/1034508811.db2.gz KVQQPAYWHIMPLJ-CQSZACIVSA-N -1 0 344.484 3.839 20 0 EHADRM Cc1noc(C)c1CCSc1n[n-]c(=NC2CCCCC2)s1 ZINC000534427587 1034514261 /nfs/dbraw/zinc/51/42/61/1034514261.db2.gz BERSMRLZRAVQEY-UHFFFAOYSA-N -1 0 338.502 3.644 20 0 EHADRM FC(F)c1n[n-]c(=NCCOc2ccc(Cl)c(Cl)c2)s1 ZINC000450625303 1034578781 /nfs/dbraw/zinc/57/87/81/1034578781.db2.gz QHQXKWYLVMCOTQ-UHFFFAOYSA-N -1 0 340.182 3.695 20 0 EHADRM C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2)CCc2ccccc2C1 ZINC000076757165 1034586753 /nfs/dbraw/zinc/58/67/53/1034586753.db2.gz PSRGUQRQEUFVDO-GOSISDBHSA-N -1 0 347.411 3.666 20 0 EHADRM C[C@@H](Cc1cn(C)c2ccc(F)cc12)N=c1[n-]nc(C(F)F)s1 ZINC000413616576 1034620391 /nfs/dbraw/zinc/62/03/91/1034620391.db2.gz YUNAFGRPEPNLJK-QMMMGPOBSA-N -1 0 340.374 3.572 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000605321794 1034694998 /nfs/dbraw/zinc/69/49/98/1034694998.db2.gz BWRBQKIXBNHYKQ-VXGBXAGGSA-N -1 0 337.803 3.733 20 0 EHADRM CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1N=c1[n-]nc(C2CC2)s1 ZINC000343815036 1034704014 /nfs/dbraw/zinc/70/40/14/1034704014.db2.gz SCHHDOYBXFUCJJ-ARFHVFGLSA-N -1 0 329.469 3.601 20 0 EHADRM CCOC(=O)CCc1c(C)[n-]n([C@H](C)c2ccc(Cl)cc2)c1=O ZINC000601936547 1034814833 /nfs/dbraw/zinc/81/48/33/1034814833.db2.gz UGNZDZPZFVEDIT-IUODEOHRSA-N -1 0 336.819 3.579 20 0 EHADRM CCC[C@@](C)(NC(=O)Nc1ccc(C)c(C(F)(F)F)c1)C(=O)[O-] ZINC000390678334 1034824996 /nfs/dbraw/zinc/82/49/96/1034824996.db2.gz UZXPOZJYFVSRRI-CQSZACIVSA-N -1 0 332.322 3.779 20 0 EHADRM CCC[C@](C)(NC(=O)Nc1ccc(C)c(C(F)(F)F)c1)C(=O)[O-] ZINC000390678333 1034825026 /nfs/dbraw/zinc/82/50/26/1034825026.db2.gz UZXPOZJYFVSRRI-AWEZNQCLSA-N -1 0 332.322 3.779 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)[C@H](C)S[C@H](C)C(=O)[O-] ZINC000601984922 1034847848 /nfs/dbraw/zinc/84/78/48/1034847848.db2.gz PRZXQYCVNHQCAW-VHSXEESVSA-N -1 0 345.848 3.661 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-] ZINC000601987753 1034849429 /nfs/dbraw/zinc/84/94/29/1034849429.db2.gz SKHUEVNCMTUURV-NXEZZACHSA-N -1 0 345.848 3.662 20 0 EHADRM C[C@@H](c1ccccc1F)N(C)C(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000326848464 1034877549 /nfs/dbraw/zinc/87/75/49/1034877549.db2.gz NWGMXQVDHDOIBD-VBKZILBWSA-N -1 0 343.398 3.778 20 0 EHADRM Cc1cc(Cl)cc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000431658358 1034989163 /nfs/dbraw/zinc/98/91/63/1034989163.db2.gz NZHNDDIUJHOXJE-MLGOLLRUSA-N -1 0 331.799 3.840 20 0 EHADRM Cc1csc(S(=O)(=O)[N-]c2ccnn2[C@@H](C)CC(C)C)c1 ZINC000450969469 1034996392 /nfs/dbraw/zinc/99/63/92/1034996392.db2.gz MCTTXLUXLYASGQ-LBPRGKRZSA-N -1 0 327.475 3.661 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2ncsc2C)cc1C(C)C ZINC000530140703 1035000241 /nfs/dbraw/zinc/00/02/41/1035000241.db2.gz NXGXKTIOSXUAFL-UHFFFAOYSA-N -1 0 340.470 3.693 20 0 EHADRM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C)cs2)c1 ZINC000450988351 1035002168 /nfs/dbraw/zinc/00/21/68/1035002168.db2.gz NRJKJINCMHEFPW-UHFFFAOYSA-N -1 0 338.454 3.596 20 0 EHADRM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc(C)cs2)c1 ZINC000450982854 1035012324 /nfs/dbraw/zinc/01/23/24/1035012324.db2.gz NMGNHXXDYWWOMS-UHFFFAOYSA-N -1 0 338.454 3.514 20 0 EHADRM CCn1nc(C)c([N-]S(=O)(=O)c2ccc3cc(C)ccc3c2)c1C ZINC000451019720 1035017412 /nfs/dbraw/zinc/01/74/12/1035017412.db2.gz SPCZYWHTADBMGY-UHFFFAOYSA-N -1 0 343.452 3.782 20 0 EHADRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)nn2CC)c1 ZINC000530157625 1035026475 /nfs/dbraw/zinc/02/64/75/1035026475.db2.gz GTLAPWYIALOEMJ-UHFFFAOYSA-N -1 0 341.864 3.618 20 0 EHADRM Cc1cc(NC(=O)c2ncccc2C(F)(F)F)cc(C(=O)[O-])c1C ZINC000431663713 1035124754 /nfs/dbraw/zinc/12/47/54/1035124754.db2.gz IXFVGIFYRAHNKK-UHFFFAOYSA-N -1 0 338.285 3.668 20 0 EHADRM Cc1cscc1[N-]S(=O)(=O)c1cc(Br)ccc1C ZINC000161628853 1035296621 /nfs/dbraw/zinc/29/66/21/1035296621.db2.gz HKJSJZZCKJIXHF-UHFFFAOYSA-N -1 0 346.271 3.928 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000317338850 1035298648 /nfs/dbraw/zinc/29/86/48/1035298648.db2.gz QFGINOPLYXUSRF-IUCAKERBSA-N -1 0 335.709 3.798 20 0 EHADRM CO[C@@H](C(=O)Nc1cc(Br)cc(Cl)c1[O-])C1CCC1 ZINC000613111838 1035404242 /nfs/dbraw/zinc/40/42/42/1035404242.db2.gz BNENCTVDFWQFFR-GFCCVEGCSA-N -1 0 348.624 3.562 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)NC[C@H]1CCCCC1(F)F)C1CCCCC1 ZINC000414082550 1035456941 /nfs/dbraw/zinc/45/69/41/1035456941.db2.gz CHHWFIMCCXJISK-RHSMWYFYSA-N -1 0 345.430 3.989 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cccn1C1CCCC1)C1CCCCC1 ZINC000431794222 1035511949 /nfs/dbraw/zinc/51/19/49/1035511949.db2.gz JPEYSWHDTPDSHB-MRXNPFEDSA-N -1 0 332.444 3.757 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2csc(-c3ccncc3)n2)c1 ZINC000185962948 1035578287 /nfs/dbraw/zinc/57/82/87/1035578287.db2.gz UAXKAYVGZPMSRW-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM CCCCc1n[n-]c(=NCc2cc(Br)cs2)s1 ZINC000540707085 1035587269 /nfs/dbraw/zinc/58/72/69/1035587269.db2.gz OMOAJXSPMLVWGD-UHFFFAOYSA-N -1 0 332.292 3.739 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)[C@H]1CCCc2sccc21)C1CCCCC1 ZINC000431801638 1035597290 /nfs/dbraw/zinc/59/72/90/1035597290.db2.gz SHRVEGMCVQKSFS-LSDHHAIUSA-N -1 0 335.469 3.708 20 0 EHADRM CCCS(=O)(=O)[N-]c1nc2c(ccc(Cl)c2Cl)s1 ZINC000540698126 1035598896 /nfs/dbraw/zinc/59/88/96/1035598896.db2.gz NBCXYKMWDYVDCM-UHFFFAOYSA-N -1 0 325.242 3.755 20 0 EHADRM O=C(c1nn(-c2cccc(Cl)c2)cc1[O-])N1CCC[C@H]2CCC[C@@H]21 ZINC000669225228 1035606018 /nfs/dbraw/zinc/60/60/18/1035606018.db2.gz HINDZNLUSMYUGL-DOMZBBRYSA-N -1 0 345.830 3.636 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)CCc1cc2ccccc2o1 ZINC000540714419 1035618955 /nfs/dbraw/zinc/61/89/55/1035618955.db2.gz LYGVOWVQIGIZCP-IRXDYDNUSA-N -1 0 343.423 3.905 20 0 EHADRM C[C@H](C(=O)NCC1(CC(=O)[O-])CCCCC1)c1cccc(Cl)c1 ZINC000540776002 1035672490 /nfs/dbraw/zinc/67/24/90/1035672490.db2.gz XELMSZYCHKBIBY-ZDUSSCGKSA-N -1 0 337.847 3.985 20 0 EHADRM Cc1nc(-c2ccc(C)cc2C)sc1C(=O)NC[C@@H](C)CC(=O)[O-] ZINC000540786935 1035680050 /nfs/dbraw/zinc/68/00/50/1035680050.db2.gz SQUUNGJPGKBZJK-NSHDSACASA-N -1 0 346.452 3.576 20 0 EHADRM CC(C)(C)Cc1n[n-]c(=NCc2ccc(Br)cc2F)o1 ZINC000540793485 1035686604 /nfs/dbraw/zinc/68/66/04/1035686604.db2.gz YZQZFUDOEKCUND-UHFFFAOYSA-N -1 0 342.212 3.594 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N(CCC(F)(F)F)CC2CC2)cc1 ZINC000492366243 1035686690 /nfs/dbraw/zinc/68/66/90/1035686690.db2.gz MTEZUKHYIYNPCM-YVMONPNESA-N -1 0 341.329 3.589 20 0 EHADRM Cc1cc(C)c(CN=c2[n-]nc(Cc3ccccc3F)o2)cc1C ZINC000540792937 1035687432 /nfs/dbraw/zinc/68/74/32/1035687432.db2.gz ATLJHFARHYPIEP-UHFFFAOYSA-N -1 0 325.387 3.759 20 0 EHADRM Cc1c(C(=O)N[C@](C)(CC(=O)[O-])C(C)C)sc2cccc(F)c12 ZINC000263093116 1035699024 /nfs/dbraw/zinc/69/90/24/1035699024.db2.gz VNPIMERBOAKLKH-QGZVFWFLSA-N -1 0 337.416 3.968 20 0 EHADRM C[C@@H](NC(=O)c1cc(F)c([O-])c(F)c1)c1ncc(-c2ccccc2)o1 ZINC000186828013 1035712736 /nfs/dbraw/zinc/71/27/36/1035712736.db2.gz GSVWKPSPBWAODQ-SNVBAGLBSA-N -1 0 344.317 3.816 20 0 EHADRM Fc1cccc2c1SCC[C@@H]2N=c1[n-]c(-c2ccccc2)no1 ZINC000588160541 1035732201 /nfs/dbraw/zinc/73/22/01/1035732201.db2.gz BTQJRHGYBAVRKG-AWEZNQCLSA-N -1 0 327.384 3.947 20 0 EHADRM c1ccc(-c2noc(=NC[C@H]3CCCO[C@@H]3c3ccccc3)[n-]2)cc1 ZINC000588162336 1035735244 /nfs/dbraw/zinc/73/52/44/1035735244.db2.gz URKBXLMUZZMUKO-QZTJIDSGSA-N -1 0 335.407 3.738 20 0 EHADRM COc1cc(CC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)ccc1C ZINC000319613155 1035762795 /nfs/dbraw/zinc/76/27/95/1035762795.db2.gz ZABSDAIWFGVSKA-UHFFFAOYSA-N -1 0 333.771 3.536 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)CCCc2csc3ccccc23)C1 ZINC000263097580 1035769051 /nfs/dbraw/zinc/76/90/51/1035769051.db2.gz WEOKALPSXRHKOB-IBGZPJMESA-N -1 0 345.464 3.937 20 0 EHADRM CCc1ccc(C([O-])=C(C)S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000321451068 1035813790 /nfs/dbraw/zinc/81/37/90/1035813790.db2.gz NCVSZNWFWHXTMI-OAHLLOKOSA-N -1 0 330.449 3.911 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CCS[C@@H]2CCCC[C@H]21 ZINC000571940015 1035840839 /nfs/dbraw/zinc/84/08/39/1035840839.db2.gz LUCBPXFVPLNFBQ-CHWSQXEVSA-N -1 0 345.386 3.911 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CCS[C@@H]2CCCC[C@@H]21 ZINC000571940018 1035841043 /nfs/dbraw/zinc/84/10/43/1035841043.db2.gz LUCBPXFVPLNFBQ-QWHCGFSZSA-N -1 0 345.386 3.911 20 0 EHADRM CCCN(C(=O)Nc1cccc(OC(F)(F)F)c1)[C@@H](CC)C(=O)[O-] ZINC000571980039 1035859556 /nfs/dbraw/zinc/85/95/56/1035859556.db2.gz HSVIZRHYQRMENR-LBPRGKRZSA-N -1 0 348.321 3.692 20 0 EHADRM CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1cccc(C)c1F ZINC000541006334 1035909213 /nfs/dbraw/zinc/90/92/13/1035909213.db2.gz LKDZGXOIJVPWPW-UHFFFAOYSA-N -1 0 347.415 3.695 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1ccc(N2CCCCC2)cc1 ZINC000263104970 1035933425 /nfs/dbraw/zinc/93/34/25/1035933425.db2.gz JDKOZRBSFKIQAG-SFHVURJKSA-N -1 0 344.455 3.536 20 0 EHADRM C/C(=C\c1ccccc1)CN(C)Cc1c([O-])nnn1-c1ccccc1 ZINC000492580254 1036025192 /nfs/dbraw/zinc/02/51/92/1036025192.db2.gz DCZVLUFEMJKDRL-DTQAZKPQSA-N -1 0 334.423 3.508 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)ccc1O)c1cc(F)cc(Cl)c1 ZINC000535137648 1036066966 /nfs/dbraw/zinc/06/69/66/1036066966.db2.gz MADAFCCSVQLVCL-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM C[C@H](C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)c1ccc2ccccc2c1 ZINC000541205971 1036078391 /nfs/dbraw/zinc/07/83/91/1036078391.db2.gz DRETWGVSGFSBOD-DHUIEDIVSA-N -1 0 337.419 3.657 20 0 EHADRM CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)c1 ZINC000174913376 1036119740 /nfs/dbraw/zinc/11/97/40/1036119740.db2.gz JLRPCWLTXIDFBV-UHFFFAOYSA-N -1 0 348.255 3.647 20 0 EHADRM O=S(=O)([N-]c1cccnc1-c1ccccc1)c1ccc(Cl)nc1 ZINC000164980514 1036153595 /nfs/dbraw/zinc/15/35/95/1036153595.db2.gz CDTQWVZSODSALB-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM O=C(Nc1cccc(N2CCCCC2)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000056224805 1036169554 /nfs/dbraw/zinc/16/95/54/1036169554.db2.gz HXDRCKXSQJGAQU-UHFFFAOYSA-N -1 0 347.418 3.771 20 0 EHADRM CC[C@@H](CNC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)CC(F)(F)F ZINC000402607325 1036180860 /nfs/dbraw/zinc/18/08/60/1036180860.db2.gz QAXPQNQABWDKDH-WBMJQRKESA-N -1 0 345.361 3.514 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1 ZINC000263124417 1036208109 /nfs/dbraw/zinc/20/81/09/1036208109.db2.gz GYIDCBRLYFKTCL-IRXDYDNUSA-N -1 0 341.407 3.652 20 0 EHADRM Cc1csc(-c2cccc([N-]S(=O)(=O)c3c(C)noc3C)c2)n1 ZINC000102321046 1036230188 /nfs/dbraw/zinc/23/01/88/1036230188.db2.gz XXLJHKQTEQYHCB-UHFFFAOYSA-N -1 0 349.437 3.524 20 0 EHADRM O=C1C[C@@H](Oc2c([O-])c(Cl)c(Cl)c(Cl)c2Cl)CCN1 ZINC001218203298 1036248731 /nfs/dbraw/zinc/24/87/31/1036248731.db2.gz XMRNQCFIMMVBEB-BYPYZUCNSA-N -1 0 345.009 3.663 20 0 EHADRM COc1ccc2c(c1NC(=O)c1cc(F)c(F)c([O-])c1F)CCC2 ZINC000190842304 1036283762 /nfs/dbraw/zinc/28/37/62/1036283762.db2.gz FWEVCCNBLRYNPO-UHFFFAOYSA-N -1 0 337.297 3.559 20 0 EHADRM CC(C)C[C@H](C)n1nccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000589271403 1036335297 /nfs/dbraw/zinc/33/52/97/1036335297.db2.gz ORRNDAROIHKNID-LBPRGKRZSA-N -1 0 341.864 3.944 20 0 EHADRM Cc1cc(Br)c(CN=c2[n-]nc(C(F)F)s2)s1 ZINC000414287336 1036455318 /nfs/dbraw/zinc/45/53/18/1036455318.db2.gz DRGCJCDESJYBNT-UHFFFAOYSA-N -1 0 340.218 3.642 20 0 EHADRM O=C(/C=C\c1ccc(C(=O)[O-])cc1)Nc1cccc(-c2ncco2)c1 ZINC000493020139 1036531625 /nfs/dbraw/zinc/53/16/25/1036531625.db2.gz GYJSJXBVLQERPO-TWGQIWQCSA-N -1 0 334.331 3.692 20 0 EHADRM C[C@H](Oc1ccc(-c2cccc(CO[C@@H]3CCOC3)c2)cc1)C(=O)[O-] ZINC000572856976 1036536722 /nfs/dbraw/zinc/53/67/22/1036536722.db2.gz JVCQMJVWWMVULR-IFXJQAMLSA-N -1 0 342.391 3.511 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)c2c(C)ccc(C)c2C(=O)[O-])s1 ZINC000391187044 1036565769 /nfs/dbraw/zinc/56/57/69/1036565769.db2.gz MDGPRJGDRGZXPR-LBPRGKRZSA-N -1 0 331.437 3.733 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)[O-] ZINC000263200401 1036627695 /nfs/dbraw/zinc/62/76/95/1036627695.db2.gz UZBZMMAUEKOJBU-TUAOUCFPSA-N -1 0 337.382 3.751 20 0 EHADRM CCC[C@H](CNC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000263216656 1036638277 /nfs/dbraw/zinc/63/82/77/1036638277.db2.gz PSINUTKWRNRGHR-DGCLKSJQSA-N -1 0 345.361 3.816 20 0 EHADRM CC(C)CN(C)c1ccc(C(=O)N=c2nc(C(C)(C)C)[n-]s2)cc1 ZINC000589935822 1036667338 /nfs/dbraw/zinc/66/73/38/1036667338.db2.gz MAUYYVYDEOMONL-UHFFFAOYSA-N -1 0 346.500 3.602 20 0 EHADRM COc1ccc2cc(CN=c3[n-]nc(-c4cccs4)o3)ccc2c1 ZINC000541819769 1036690162 /nfs/dbraw/zinc/69/01/62/1036690162.db2.gz DDEHXHLIEAXLGA-UHFFFAOYSA-N -1 0 337.404 3.994 20 0 EHADRM O=C([O-])c1cc(/C=C/c2ccc(Cl)cc2Br)ncn1 ZINC000535595007 1036698269 /nfs/dbraw/zinc/69/82/69/1036698269.db2.gz PUQHZVZUDGFSJF-DUXPYHPUSA-N -1 0 339.576 3.761 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CNCc2ncc(Br)cc2[O-])o1 ZINC000892623676 1036768796 /nfs/dbraw/zinc/76/87/96/1036768796.db2.gz ZCOXNPAHFVBRJL-SKDRFNHKSA-N -1 0 337.217 3.556 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 ZINC000263337188 1036796017 /nfs/dbraw/zinc/79/60/17/1036796017.db2.gz MQYJXXQAHFDSLD-NEPJUHHUSA-N -1 0 347.798 3.783 20 0 EHADRM CC(=O)N(c1ccc(NCc2cccc(C(=O)[O-])c2)cc1)[C@H]1C[C@@H]1C ZINC000263405932 1036870448 /nfs/dbraw/zinc/87/04/48/1036870448.db2.gz JSBMNPHFIGMAHC-DJJJIMSYSA-N -1 0 338.407 3.758 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000263421671 1036888475 /nfs/dbraw/zinc/88/84/75/1036888475.db2.gz LGYFVEBWPDDHFH-NSHDSACASA-N -1 0 347.308 3.704 20 0 EHADRM C[C@@H](CN(C)C(=O)Nc1ccc(SC2CCCC2)cc1)C(=O)[O-] ZINC000263458603 1036946226 /nfs/dbraw/zinc/94/62/26/1036946226.db2.gz CTTIHIUWDAUJNX-LBPRGKRZSA-N -1 0 336.457 3.906 20 0 EHADRM O=C([O-])C1CCN(c2ccc3ccc(Cl)c(Cl)c3n2)CC1 ZINC000263504335 1037015241 /nfs/dbraw/zinc/01/52/41/1037015241.db2.gz LOOAEJSGWMJNRE-UHFFFAOYSA-N -1 0 325.195 3.843 20 0 EHADRM O=C(COc1ccccc1-c1ccccc1)[N-]OCCC(F)(F)F ZINC000162762787 1037027224 /nfs/dbraw/zinc/02/72/24/1037027224.db2.gz ANBXJFJVGKAYJO-UHFFFAOYSA-N -1 0 339.313 3.733 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)NCc1cccc2ccccc21 ZINC000539675551 1037052455 /nfs/dbraw/zinc/05/24/55/1037052455.db2.gz SOKYLZAIQNKXOP-UHFFFAOYSA-N -1 0 333.387 3.787 20 0 EHADRM C[C@H](NC(=O)[C@@]1(C(=O)[O-])CC=CCC1)c1cccc(Cl)c1Cl ZINC000653282932 1037053629 /nfs/dbraw/zinc/05/36/29/1037053629.db2.gz OQOAWDOEKZWIRY-MGPLVRAMSA-N -1 0 342.222 3.982 20 0 EHADRM CCOc1cc(C(=O)Nc2cc(OC)ccc2F)cc(Cl)c1O ZINC000186859756 1037079215 /nfs/dbraw/zinc/07/92/15/1037079215.db2.gz UOOXWNRNOCIEKH-UHFFFAOYSA-N -1 0 339.750 3.844 20 0 EHADRM CC(=CC(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000054429356 1037083679 /nfs/dbraw/zinc/08/36/79/1037083679.db2.gz LZIQRZZWGAKVFT-PKNBQFBNSA-N -1 0 337.347 3.714 20 0 EHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000761575928 1037159082 /nfs/dbraw/zinc/15/90/82/1037159082.db2.gz MGIRSMLCHBCUPT-KAMYIIQDSA-N -1 0 343.810 3.857 20 0 EHADRM C[C@@H]1CCCC[C@H]1NC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666510088 1037161062 /nfs/dbraw/zinc/16/10/62/1037161062.db2.gz LTPRPHGFYKNYMJ-RDTXWAMCSA-N -1 0 344.455 3.853 20 0 EHADRM O=C([O-])CCCCNC(=O)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000666557645 1037209180 /nfs/dbraw/zinc/20/91/80/1037209180.db2.gz QWNYZLICTFFXNX-HNNXBMFYSA-N -1 0 338.835 3.832 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000105589428 1037218556 /nfs/dbraw/zinc/21/85/56/1037218556.db2.gz BQLVQGLWFBQOLB-UHFFFAOYSA-N -1 0 333.356 3.627 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc(OC(F)(F)F)c2)CC2(CCC2)C1 ZINC000659118615 1037296271 /nfs/dbraw/zinc/29/62/71/1037296271.db2.gz LYBLSYYNNRGPDY-UHFFFAOYSA-N -1 0 343.301 3.559 20 0 EHADRM COCCOc1cccc(-c2ccccc2O[C@H](C(=O)[O-])C(C)C)c1 ZINC000573105025 1037306122 /nfs/dbraw/zinc/30/61/22/1037306122.db2.gz XJJDXQAUGLSFFZ-IBGZPJMESA-N -1 0 344.407 3.867 20 0 EHADRM O=C(NCCSc1ccc(Cl)cc1)c1cc(F)c([O-])c(F)c1 ZINC000176971631 1037307787 /nfs/dbraw/zinc/30/77/87/1037307787.db2.gz NLEWKOIAKVBNCH-UHFFFAOYSA-N -1 0 343.782 3.846 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)C2CCC(C3CC3)CC2)c1OC ZINC000659128309 1037328303 /nfs/dbraw/zinc/32/83/03/1037328303.db2.gz SNQLBEBKRSIRBB-UHFFFAOYSA-N -1 0 347.411 3.557 20 0 EHADRM C[C@H](NC(=O)c1cc(F)c([O-])c(F)c1)c1cccc(OC(F)F)c1 ZINC000177066025 1037349771 /nfs/dbraw/zinc/34/97/71/1037349771.db2.gz CRUBNZHCQQXDJQ-QMMMGPOBSA-N -1 0 343.276 3.763 20 0 EHADRM CCCN(C(=O)c1cc(C(=O)[O-])oc1C)[C@@H]1CCc2ccccc2C1 ZINC000659139605 1037356747 /nfs/dbraw/zinc/35/67/47/1037356747.db2.gz FNTCMKDPUJXWEF-MRXNPFEDSA-N -1 0 341.407 3.696 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)c2cc(Cl)cc3ccccc32)CC1 ZINC000659142717 1037364007 /nfs/dbraw/zinc/36/40/07/1037364007.db2.gz PHBHIGKCYSBPCW-UHFFFAOYSA-N -1 0 331.799 3.820 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000659155163 1037388489 /nfs/dbraw/zinc/38/84/89/1037388489.db2.gz ZOBFPRCPWGZCFB-OIISXLGYSA-N -1 0 339.391 3.695 20 0 EHADRM C[C@]1(Cc2ccccc2Cl)CCCN1C(=O)CC1(C(=O)[O-])CCC1 ZINC000659172951 1037412481 /nfs/dbraw/zinc/41/24/81/1037412481.db2.gz MBXQFUGZJUEZRT-GOSISDBHSA-N -1 0 349.858 3.909 20 0 EHADRM CCCc1nc(=NC(=O)N2CC(C)(C)[C@H]2c2cccs2)s[n-]1 ZINC000573290492 1037424381 /nfs/dbraw/zinc/42/43/81/1037424381.db2.gz ALRMAVBRBMLYQY-GFCCVEGCSA-N -1 0 336.486 3.589 20 0 EHADRM Cc1nc(C(=O)N(C)C2CC(C)(C)CC(C)(C)C2)ccc1C(=O)[O-] ZINC000659180889 1037425055 /nfs/dbraw/zinc/42/50/55/1037425055.db2.gz WOXHQLWKLSTEBK-UHFFFAOYSA-N -1 0 332.444 3.765 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2ccc(Cl)cc2C)n1 ZINC000659182007 1037430641 /nfs/dbraw/zinc/43/06/41/1037430641.db2.gz GCDMDPJTVOXCHP-CYBMUJFWSA-N -1 0 335.791 3.523 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3ccccc3o2)[C@@H]2CCCC[C@@H]12 ZINC000659190905 1037443238 /nfs/dbraw/zinc/44/32/38/1037443238.db2.gz VNVQCDPHWYDJQP-RRFJBIMHSA-N -1 0 327.380 3.538 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)C[C@@H](C)c2ccc(F)cc2)n1 ZINC000659185471 1037446737 /nfs/dbraw/zinc/44/67/37/1037446737.db2.gz AEOSZAWKYMLJNH-IUODEOHRSA-N -1 0 347.390 3.580 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)CCCc2ccc(C)s2)n1 ZINC000659187012 1037449175 /nfs/dbraw/zinc/44/91/75/1037449175.db2.gz LWEFCBROJYVSKE-CQSZACIVSA-N -1 0 349.456 3.640 20 0 EHADRM CCN=c1[n-]nc(SCc2cc(-c3ccc(C)cc3)no2)s1 ZINC000508863749 1037449393 /nfs/dbraw/zinc/44/93/93/1037449393.db2.gz LGCISAFVPVYRHL-UHFFFAOYSA-N -1 0 332.454 3.648 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)CCc2cccc(Cl)c2)n1 ZINC000659186329 1037451902 /nfs/dbraw/zinc/45/19/02/1037451902.db2.gz WIYRSXBBFXQEOY-AWEZNQCLSA-N -1 0 349.818 3.534 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NCc2ccc(Cl)c(Cl)c2)C1 ZINC000659198778 1037459360 /nfs/dbraw/zinc/45/93/60/1037459360.db2.gz NKGRDOKVTLIKFX-GHMZBOCLSA-N -1 0 330.211 3.501 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000659193237 1037462553 /nfs/dbraw/zinc/46/25/53/1037462553.db2.gz PADNYLVHNODSNZ-LTFXXXRZSA-N -1 0 341.451 3.590 20 0 EHADRM Cc1nn(C)c(Cl)c1/C=C/C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000493652214 1037535783 /nfs/dbraw/zinc/53/57/83/1037535783.db2.gz XFGBOTSYVGNRQW-ONEGZZNKSA-N -1 0 344.173 3.532 20 0 EHADRM C[C@@H](CC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC000659231095 1037543366 /nfs/dbraw/zinc/54/33/66/1037543366.db2.gz JOIFTNDBROVTIL-VHRBIJSZSA-N -1 0 343.345 3.521 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C(C)C)c1 ZINC000007709525 1037556544 /nfs/dbraw/zinc/55/65/44/1037556544.db2.gz LSVDJRZXYOIHFY-UHFFFAOYSA-N -1 0 333.409 3.617 20 0 EHADRM C[C@H](CC(=O)N[C@H]1CCC[C@]1(C)C(=O)[O-])Cc1ccc(Cl)cc1 ZINC000659239453 1037559346 /nfs/dbraw/zinc/55/93/46/1037559346.db2.gz LRMHEQILMWWYDF-QITLCBANSA-N -1 0 337.847 3.668 20 0 EHADRM Cc1ccc(N2CCN(C(=O)c3ccc([O-])c(Cl)c3)CC2)cc1C ZINC000760875061 1037563408 /nfs/dbraw/zinc/56/34/08/1037563408.db2.gz LCWCWNAYFWBMIN-UHFFFAOYSA-N -1 0 344.842 3.625 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000669434569 1037851355 /nfs/dbraw/zinc/85/13/55/1037851355.db2.gz UIEQFUMMYPPHNQ-IKGGRYGDSA-N -1 0 339.366 3.534 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N(C)C/C(C)=C/c2ccccc2)s1 ZINC000494195697 1037907912 /nfs/dbraw/zinc/90/79/12/1037907912.db2.gz QTTNTISKBUGYMH-ZRDIBKRKSA-N -1 0 348.497 3.639 20 0 EHADRM Cc1ccc(-c2n[n-]c(=NCc3coc(-c4ccccc4)n3)o2)s1 ZINC000463249585 1037934900 /nfs/dbraw/zinc/93/49/00/1037934900.db2.gz FPWVRDHOGKBOPJ-UHFFFAOYSA-N -1 0 338.392 3.796 20 0 EHADRM Cc1c(C(=O)[O-])sc2ncnc(NC[C@H](C)CC(F)(F)F)c12 ZINC000396967851 1037962382 /nfs/dbraw/zinc/96/23/82/1037962382.db2.gz XWWBNJJSMCGZFU-ZCFIWIBFSA-N -1 0 333.335 3.698 20 0 EHADRM CC(C)CNC(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000236816579 1038340227 /nfs/dbraw/zinc/34/02/27/1038340227.db2.gz OFMOSLMNOVHWPB-UHFFFAOYSA-N -1 0 333.409 3.656 20 0 EHADRM CCCC[C@H](C)N(C)C(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC000461430715 1038418229 /nfs/dbraw/zinc/41/82/29/1038418229.db2.gz YILHGTMAWBYQFT-ZDUSSCGKSA-N -1 0 333.407 3.676 20 0 EHADRM C[C@H]1[C@H](C(=O)Nc2cc(Cl)cc(Br)c2[O-])C1(F)F ZINC000461446538 1038429923 /nfs/dbraw/zinc/42/99/23/1038429923.db2.gz JYGFPZVIMNZTQI-RNHFCUEFSA-N -1 0 340.551 3.648 20 0 EHADRM O=C(c1c([O-])cc(Cl)cc1Cl)N1CCC(OC2CCC2)CC1 ZINC000416255630 1038430705 /nfs/dbraw/zinc/43/07/05/1038430705.db2.gz DMBNIQPYTHXFCV-UHFFFAOYSA-N -1 0 344.238 3.873 20 0 EHADRM Cc1cc2cc(C(=O)NCC3(C(=O)[O-])CCCCC3)oc2cc1C ZINC000431863087 1038500876 /nfs/dbraw/zinc/50/08/76/1038500876.db2.gz CNPWIRYTDQMECE-UHFFFAOYSA-N -1 0 329.396 3.815 20 0 EHADRM CC(C)[C@@H](C)N(C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C1CC1 ZINC000667135303 1038517491 /nfs/dbraw/zinc/51/74/91/1038517491.db2.gz WUWUAPSLUWFYBQ-GFCCVEGCSA-N -1 0 347.846 3.880 20 0 EHADRM O=C(COc1ccc(F)cc1)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000538831179 1038555245 /nfs/dbraw/zinc/55/52/45/1038555245.db2.gz LGQYINACAKPRJR-UHFFFAOYSA-N -1 0 330.142 3.856 20 0 EHADRM CCCc1nc(=NCc2ccc(Oc3cccc(F)c3)nc2)s[n-]1 ZINC000461781734 1038608308 /nfs/dbraw/zinc/60/83/08/1038608308.db2.gz VNOYZFFJTKETHG-UHFFFAOYSA-N -1 0 344.415 3.851 20 0 EHADRM CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)c1cc(C(=O)[O-])ccn1 ZINC000416419451 1038649239 /nfs/dbraw/zinc/64/92/39/1038649239.db2.gz SOORIXKJRJWIRZ-MRXNPFEDSA-N -1 0 346.814 3.903 20 0 EHADRM CN(CCC(=O)[O-])c1nc(-c2ccccc2C(F)(F)F)cs1 ZINC000416425613 1038658218 /nfs/dbraw/zinc/65/82/18/1038658218.db2.gz FMFQFWMCBUJGLL-UHFFFAOYSA-N -1 0 330.331 3.740 20 0 EHADRM CCCc1nc(=N[C@H](CC)c2nc(-c3ccccc3)c[nH]2)s[n-]1 ZINC000461953242 1038692179 /nfs/dbraw/zinc/69/21/79/1038692179.db2.gz AOIKCKHLGMWCSB-CYBMUJFWSA-N -1 0 327.457 3.866 20 0 EHADRM CCCc1nc(=NCc2cccc(COCC(F)(F)F)c2)s[n-]1 ZINC000461955837 1038693943 /nfs/dbraw/zinc/69/39/43/1038693943.db2.gz MDMGVRXJNRHYCB-UHFFFAOYSA-N -1 0 345.390 3.604 20 0 EHADRM O=C([O-])c1ccc(O)c(-c2cc(F)ccc2OC[C@@H]2CCCCO2)c1 ZINC000569942292 1038775270 /nfs/dbraw/zinc/77/52/70/1038775270.db2.gz QVTMUGFUWUACGU-AWEZNQCLSA-N -1 0 346.354 3.844 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)s1 ZINC000910240423 1038783356 /nfs/dbraw/zinc/78/33/56/1038783356.db2.gz PUUAJNWZTVCAGM-AGIUHOORSA-N -1 0 335.469 3.761 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@H]3CCC[C@@H](c4ccccc4)C3)(CC1)C2 ZINC000910240616 1038784078 /nfs/dbraw/zinc/78/40/78/1038784078.db2.gz BTKZBXHRXKSPRJ-UUBYJMPYSA-N -1 0 341.451 3.864 20 0 EHADRM Cc1cccc2c1CC[C@H]2NC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000910244989 1038784127 /nfs/dbraw/zinc/78/41/27/1038784127.db2.gz XOUSKXIWTJMUBP-PBPGXSGUSA-N -1 0 327.424 3.524 20 0 EHADRM CC(C)OCc1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1 ZINC000910245011 1038785340 /nfs/dbraw/zinc/78/53/40/1038785340.db2.gz HLGLGMQOVHYDJP-UHFFFAOYSA-N -1 0 331.412 3.585 20 0 EHADRM CC[C@@H](c1ccccc1OC)N(C)C(=O)c1oc(C(=O)[O-])cc1C ZINC000910251424 1038788537 /nfs/dbraw/zinc/78/85/37/1038788537.db2.gz SKEJOLDXDLUUQH-ZDUSSCGKSA-N -1 0 331.368 3.518 20 0 EHADRM Cc1cc(Nc2cc(Br)c3nccn3c2)ccc1C(=O)[O-] ZINC001211652502 1038799689 /nfs/dbraw/zinc/79/96/89/1038799689.db2.gz BFFHCDCTPLTZKI-UHFFFAOYSA-N -1 0 346.184 3.847 20 0 EHADRM CC[C@@H](CNS(=O)(=O)c1ccccc1Cl)CC(F)(F)F ZINC000416592785 1038816368 /nfs/dbraw/zinc/81/63/68/1038816368.db2.gz JAZHVVGHQQEWNY-SECBINFHSA-N -1 0 329.771 3.597 20 0 EHADRM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000910302169 1038817315 /nfs/dbraw/zinc/81/73/15/1038817315.db2.gz DLJBZYBNQHFKTJ-HRCADAONSA-N -1 0 347.459 3.520 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N(CCOC)C(CC)CC)s1 ZINC000479921706 1038877365 /nfs/dbraw/zinc/87/73/65/1038877365.db2.gz ALSDGNFQBXWXQV-UHFFFAOYSA-N -1 0 342.509 3.533 20 0 EHADRM Cc1ccc(CC(=O)N[C@H](CC(=O)[O-])c2ccccc2Cl)s1 ZINC000910403907 1038886388 /nfs/dbraw/zinc/88/63/88/1038886388.db2.gz MQFUDGRAZWVBIF-CQSZACIVSA-N -1 0 337.828 3.585 20 0 EHADRM CSCC1(CC(=O)N[C@H](CC(=O)[O-])c2ccccc2Cl)CC1 ZINC000910406502 1038887490 /nfs/dbraw/zinc/88/74/90/1038887490.db2.gz TUGMYEUNGGVDRJ-CYBMUJFWSA-N -1 0 341.860 3.505 20 0 EHADRM Cc1cc(C(=O)N[C@H](CC(=O)[O-])C2CCCCC2)c(Cl)cc1F ZINC000554084327 1038892827 /nfs/dbraw/zinc/89/28/27/1038892827.db2.gz DDRSDIASFSNXKZ-OAHLLOKOSA-N -1 0 341.810 3.941 20 0 EHADRM C[C@@H](C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1cccc(Cl)c1 ZINC000910471170 1038930250 /nfs/dbraw/zinc/93/02/50/1038930250.db2.gz DBFWOLBLHLRUNL-ZTFRIQLXSA-N -1 0 343.810 3.873 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCCc1c[nH]c2ccccc12)C1CCCC1 ZINC000910567021 1038966938 /nfs/dbraw/zinc/96/69/38/1038966938.db2.gz AXEAOBUNYDQXPJ-SFHVURJKSA-N -1 0 342.439 3.640 20 0 EHADRM Cc1cccc2c(CCC(=O)N[C@@H](CC(=O)[O-])C3CCCC3)c[nH]c21 ZINC000910567361 1038967927 /nfs/dbraw/zinc/96/79/27/1038967927.db2.gz KSHFUXZFLYAZAZ-KRWDZBQOSA-N -1 0 342.439 3.559 20 0 EHADRM C[C@@H](CC(=O)N=c1nc(-c2ccccc2Cl)[n-]s1)n1cccc1 ZINC000554162976 1038976856 /nfs/dbraw/zinc/97/68/56/1038976856.db2.gz LAIZYSSTZMZPAN-NSHDSACASA-N -1 0 346.843 3.672 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)CCO[C@@H](C)CC(C)C ZINC000910618367 1038991233 /nfs/dbraw/zinc/99/12/33/1038991233.db2.gz GTSAAGBGHPHORQ-ZDUSSCGKSA-N -1 0 337.416 3.563 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1O ZINC000488234389 1038991301 /nfs/dbraw/zinc/99/13/01/1038991301.db2.gz QRHDBKTZPUJTMJ-UHFFFAOYSA-N -1 0 345.342 3.774 20 0 EHADRM CCc1cccc(C(=O)N2CCCc3c(NC(C)=O)cccc32)c1O ZINC000552137725 1038999671 /nfs/dbraw/zinc/99/96/71/1038999671.db2.gz HUZSJSOLVOIXJV-UHFFFAOYSA-N -1 0 338.407 3.506 20 0 EHADRM CCc1c(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cnn1C(CC)CC ZINC000910657407 1039004335 /nfs/dbraw/zinc/00/43/35/1039004335.db2.gz YBDKTGFQNUXQKV-QWHCGFSZSA-N -1 0 335.448 3.636 20 0 EHADRM Cc1nc(NC(=O)C(C)(C)CCC(=O)[O-])ccc1-c1ccccc1 ZINC000910665695 1039009888 /nfs/dbraw/zinc/00/98/88/1039009888.db2.gz NTYIVMJXQXMJQZ-UHFFFAOYSA-N -1 0 326.396 3.887 20 0 EHADRM CC(C)(CCCc1ccccc1)C(=O)Nc1ncc(CC(=O)[O-])s1 ZINC000910672541 1039012774 /nfs/dbraw/zinc/01/27/74/1039012774.db2.gz SXXIMOUCUJKUHJ-UHFFFAOYSA-N -1 0 346.452 3.758 20 0 EHADRM CCC1(CC)CCN(C(=O)c2nn(-c3cccc(F)c3)cc2[O-])CC1 ZINC000552159269 1039017019 /nfs/dbraw/zinc/01/70/19/1039017019.db2.gz BZYKJHURVISGAA-UHFFFAOYSA-N -1 0 345.418 3.759 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000237497836 1039019490 /nfs/dbraw/zinc/01/94/90/1039019490.db2.gz WSFPTLOKDVNHAS-ZDUSSCGKSA-N -1 0 337.847 3.812 20 0 EHADRM COc1cc(C)cc(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)c1C ZINC000910705016 1039027177 /nfs/dbraw/zinc/02/71/77/1039027177.db2.gz ABCUKLMVRYMIBP-UHFFFAOYSA-N -1 0 348.424 3.842 20 0 EHADRM CCOC(=O)c1coc(=N[C@@H](C)c2cc3cccc(OCC)c3o2)[n-]1 ZINC000418840125 1039032547 /nfs/dbraw/zinc/03/25/47/1039032547.db2.gz ZTACZZNQDLXBNL-NSHDSACASA-N -1 0 344.367 3.591 20 0 EHADRM Cc1n[n-]c(=N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)s1 ZINC000485423445 1039044468 /nfs/dbraw/zinc/04/44/68/1039044468.db2.gz SRYHJIDSGFXWPA-MGCOHNPYSA-N -1 0 342.237 3.528 20 0 EHADRM C[C@H](CCCC(F)(F)F)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC000905752436 1039087778 /nfs/dbraw/zinc/08/77/78/1039087778.db2.gz QALYGZZZFDGANE-SNVBAGLBSA-N -1 0 329.322 3.654 20 0 EHADRM Cc1cccc(C2(C(=O)NCC3(C(=O)[O-])CCCCC3)CCC2)c1 ZINC000325471584 1039095232 /nfs/dbraw/zinc/09/52/32/1039095232.db2.gz FZIKTCHYANZGGN-UHFFFAOYSA-N -1 0 329.440 3.568 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)C2(c3ccc(F)cc3)CC2)c1 ZINC000261661784 1039127044 /nfs/dbraw/zinc/12/70/44/1039127044.db2.gz KQXKFCOHFLLZJF-UHFFFAOYSA-N -1 0 327.355 3.513 20 0 EHADRM CCC(CC)(NC(=O)N[C@@H](C)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000570150491 1039150085 /nfs/dbraw/zinc/15/00/85/1039150085.db2.gz YENLZIDBUMTZEX-VIFPVBQESA-N -1 0 347.242 3.997 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(OC)c(OC)c1C ZINC000910958943 1039158220 /nfs/dbraw/zinc/15/82/20/1039158220.db2.gz NOVIGFSRLCUJFH-UHFFFAOYSA-N -1 0 343.379 3.525 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)CC1 ZINC000554282791 1039159796 /nfs/dbraw/zinc/15/97/96/1039159796.db2.gz KUHOWFVQSGDQAX-HUUCEWRRSA-N -1 0 335.831 3.547 20 0 EHADRM CCCc1nc(C)c(C(=O)N(CC)c2cccc(C(=O)[O-])c2)s1 ZINC000910975659 1039173822 /nfs/dbraw/zinc/17/38/22/1039173822.db2.gz IVUAADCYCIZKQY-UHFFFAOYSA-N -1 0 332.425 3.769 20 0 EHADRM Cc1cc(C(=O)Nc2cc(F)cc(F)c2O)c(C)n1CC(F)(F)F ZINC000910980202 1039177241 /nfs/dbraw/zinc/17/72/41/1039177241.db2.gz QZWZHIBVGHRBLR-UHFFFAOYSA-N -1 0 348.271 3.903 20 0 EHADRM Cc1cccc([C@H]([N-]S(=O)(=O)c2ccccc2F)C(F)(F)F)c1 ZINC000512447677 1039182947 /nfs/dbraw/zinc/18/29/47/1039182947.db2.gz NBZJBYVLQVMZAI-AWEZNQCLSA-N -1 0 347.333 3.716 20 0 EHADRM C[C@H]1C[C@H](N=c2[n-]c(C(F)(F)F)c(Br)s2)CS1 ZINC000418972390 1039191310 /nfs/dbraw/zinc/19/13/10/1039191310.db2.gz NPNKEYUVPXLDQK-WHFBIAKZSA-N -1 0 347.225 3.652 20 0 EHADRM CC(C)c1cccc(C(=O)N2CC[C@H](c3ncc(C(=O)[O-])s3)C2)c1 ZINC000911047330 1039212629 /nfs/dbraw/zinc/21/26/29/1039212629.db2.gz MLNFVVYJROIZRI-AWEZNQCLSA-N -1 0 344.436 3.594 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccccc2-c2cccs2)CCOCC1 ZINC000911135661 1039248638 /nfs/dbraw/zinc/24/86/38/1039248638.db2.gz NRMMCAYALVONIK-UHFFFAOYSA-N -1 0 345.420 3.625 20 0 EHADRM CC(C)(C)c1ccc(OCCCC(=O)NC(C)(C)CCC(=O)[O-])cc1 ZINC000236746006 1039249214 /nfs/dbraw/zinc/24/92/14/1039249214.db2.gz HVMPPNKPQPEHQC-UHFFFAOYSA-N -1 0 349.471 3.903 20 0 EHADRM C[C@H]1CCCc2nc(S(=O)(=O)[N-]c3cccc(C(F)F)c3)cn21 ZINC000416946787 1039251359 /nfs/dbraw/zinc/25/13/59/1039251359.db2.gz XOULXTUVRWMHCB-JTQLQIEISA-N -1 0 341.383 3.519 20 0 EHADRM C[C@@H](Nc1ccc(NC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])cc1)c1ccccc1 ZINC000911246981 1039296846 /nfs/dbraw/zinc/29/68/46/1039296846.db2.gz IOXCCCORHLXJKX-XWIAVFTESA-N -1 0 338.407 3.909 20 0 EHADRM CCCCn1ncc([N-]S(=O)(=O)c2ccc(C)cc2)c1C(C)C ZINC000480211549 1039310592 /nfs/dbraw/zinc/31/05/92/1039310592.db2.gz XNEBEUKOXGOTIC-UHFFFAOYSA-N -1 0 335.473 3.916 20 0 EHADRM COCc1ccccc1NC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1 ZINC000237179800 1039318676 /nfs/dbraw/zinc/31/86/76/1039318676.db2.gz YUPZSKLLPGUECE-LJQANCHMSA-N -1 0 333.428 3.833 20 0 EHADRM Cc1n[n-]c(=NC[C@@H](OCc2ccccc2)c2ccc(Cl)cc2)o1 ZINC000488674861 1039334610 /nfs/dbraw/zinc/33/46/10/1039334610.db2.gz NCQRCZYRBBBFQV-QGZVFWFLSA-N -1 0 343.814 3.823 20 0 EHADRM COc1cc(F)c(NC(=O)CC2(C(=O)[O-])CCCCCC2)cc1F ZINC000237298900 1039334960 /nfs/dbraw/zinc/33/49/60/1039334960.db2.gz BYKUWSHHKCWULD-UHFFFAOYSA-N -1 0 341.354 3.727 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H](C(=O)[O-])C1 ZINC000326169605 1039353993 /nfs/dbraw/zinc/35/39/93/1039353993.db2.gz GSWYJJXQDFSQRB-PRHODGIISA-N -1 0 348.296 3.562 20 0 EHADRM Cc1ccc(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)cc1-c1ncco1 ZINC000911480076 1039386064 /nfs/dbraw/zinc/38/60/64/1039386064.db2.gz PJHPCSLWDXXACB-UHFFFAOYSA-N -1 0 340.379 3.624 20 0 EHADRM CN(C(=O)N=c1nc(-c2ccccc2Cl)[n-]s1)[C@H]1CC1(C)C ZINC000488786085 1039402786 /nfs/dbraw/zinc/40/27/86/1039402786.db2.gz PVQOWUXMCMSZNF-NSHDSACASA-N -1 0 336.848 3.543 20 0 EHADRM COC[C@H](C)Oc1cccc(-c2ccc([C@@H](OC)C(=O)[O-])s2)c1 ZINC000906244616 1039406862 /nfs/dbraw/zinc/40/68/62/1039406862.db2.gz YXTOSXPTEUEZOZ-MEDUHNTESA-N -1 0 336.409 3.601 20 0 EHADRM Cc1ccsc1C(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000237768656 1039436840 /nfs/dbraw/zinc/43/68/40/1039436840.db2.gz BMQBARZTYJFPKF-GFCCVEGCSA-N -1 0 341.791 3.795 20 0 EHADRM COc1ccccc1C1(C(=O)Nc2cc(C(=O)[O-])c(C)cc2F)CC1 ZINC000911681916 1039456935 /nfs/dbraw/zinc/45/69/35/1039456935.db2.gz SUVGEGVJTVEJAV-UHFFFAOYSA-N -1 0 343.354 3.511 20 0 EHADRM Cc1cc(F)c(NC(=O)CCc2ncc(C(C)(C)C)o2)cc1C(=O)[O-] ZINC000911686451 1039460866 /nfs/dbraw/zinc/46/08/66/1039460866.db2.gz KTFBNJPCHWGGRQ-UHFFFAOYSA-N -1 0 348.374 3.689 20 0 EHADRM CC[C@H](C(=O)Nc1cc(C(=O)[O-])c(C)cc1F)c1ccc(OC)cc1 ZINC000911687208 1039460895 /nfs/dbraw/zinc/46/08/95/1039460895.db2.gz BVYUKDLYDTZOHY-AWEZNQCLSA-N -1 0 345.370 3.973 20 0 EHADRM Cc1cccc(CO[C@@H](C)C(=O)Nc2cc(C(=O)[O-])c(C)cc2F)c1 ZINC000911689604 1039462541 /nfs/dbraw/zinc/46/25/41/1039462541.db2.gz TZTRKIOIGRXDPS-ZDUSSCGKSA-N -1 0 345.370 3.685 20 0 EHADRM Cc1cc2c(cc1C)[C@@H](C(=O)Nc1cc(C(=O)[O-])c(C)cc1F)CO2 ZINC000911690622 1039463227 /nfs/dbraw/zinc/46/32/27/1039463227.db2.gz XPQSNQRGCKQYRA-AWEZNQCLSA-N -1 0 343.354 3.564 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)Cc2cccc(Cl)c2)on1 ZINC000584677739 1039467238 /nfs/dbraw/zinc/46/72/38/1039467238.db2.gz NVOONVHOQKBQDY-UHFFFAOYSA-N -1 0 328.821 3.567 20 0 EHADRM O=S(=O)([N-]c1nc2c(ccc(F)c2F)s1)c1ccccc1F ZINC000500853380 1039576207 /nfs/dbraw/zinc/57/62/07/1039576207.db2.gz ULZHGNXUBVYNSI-UHFFFAOYSA-N -1 0 344.339 3.514 20 0 EHADRM C[C@H](NC(=O)[C@H](c1ccccc1)c1ccc(Cl)cc1)[C@H](C)C(=O)[O-] ZINC000659152465 1039598401 /nfs/dbraw/zinc/59/84/01/1039598401.db2.gz HEGRVWPXCYQVBW-GDZNZVCISA-N -1 0 345.826 3.697 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)c2cc3cc(Cl)sc3[nH]2)s1 ZINC000485880186 1039657199 /nfs/dbraw/zinc/65/71/99/1039657199.db2.gz ITPHVFVYAMQQNB-UHFFFAOYSA-N -1 0 340.861 3.706 20 0 EHADRM O=C([O-])c1ccc2nc(/C=C/c3ccnn3-c3ccccc3)oc2c1 ZINC000486101900 1039862198 /nfs/dbraw/zinc/86/21/98/1039862198.db2.gz KISXVNIIYXJCKR-VQHVLOKHSA-N -1 0 331.331 3.882 20 0 EHADRM Cc1sc([C@@H](C)NC(=O)OCC2CCCCC2)nc1C(=O)[O-] ZINC000907112818 1039920769 /nfs/dbraw/zinc/92/07/69/1039920769.db2.gz ODIPOXYNIUQFOX-SECBINFHSA-N -1 0 326.418 3.517 20 0 EHADRM C[C@H]1CC[C@H](CSc2n[n-]c(=Nc3ccccc3F)s2)O1 ZINC000473402893 1039925689 /nfs/dbraw/zinc/92/56/89/1039925689.db2.gz SEOVOEPPNNPYNA-VHSXEESVSA-N -1 0 325.434 3.502 20 0 EHADRM Cc1ccc2nc([N-]S(=O)(=O)c3c(C)cccc3F)sc2c1 ZINC000479069359 1039931486 /nfs/dbraw/zinc/93/14/86/1039931486.db2.gz OBGSFYPGODILRL-UHFFFAOYSA-N -1 0 336.413 3.853 20 0 EHADRM C[C@@H](C(=O)Nc1cc(Br)cc(Cl)c1[O-])[C@@H]1CCCO1 ZINC000907165727 1039938782 /nfs/dbraw/zinc/93/87/82/1039938782.db2.gz YVGJNIOJQFZFOX-HQJQHLMTSA-N -1 0 348.624 3.562 20 0 EHADRM Cc1cc(N2CCCCCC2)ccc1NC(=O)c1ncccc1[O-] ZINC000553294684 1039939676 /nfs/dbraw/zinc/93/96/76/1039939676.db2.gz ILWCBGQKBREJQC-UHFFFAOYSA-N -1 0 325.412 3.728 20 0 EHADRM COc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000473408702 1039955144 /nfs/dbraw/zinc/95/51/44/1039955144.db2.gz OXULGAJSZOANFL-UHFFFAOYSA-N -1 0 335.809 3.658 20 0 EHADRM CC(C)Cn1ncc(N=c2nc(C(C)(C)C)[n-]s2)c1C(F)F ZINC000489434482 1039971757 /nfs/dbraw/zinc/97/17/57/1039971757.db2.gz STNNMZTXIBVGQJ-UHFFFAOYSA-N -1 0 329.420 3.791 20 0 EHADRM CCCc1csc(CN[C@H](CC(=O)[O-])c2ccc(F)cc2F)n1 ZINC000417564268 1040013522 /nfs/dbraw/zinc/01/35/22/1040013522.db2.gz OOOIUYJRXMDHSQ-CQSZACIVSA-N -1 0 340.395 3.679 20 0 EHADRM COCc1ccc(CN[C@H](C(=O)[O-])c2c(Cl)cccc2Cl)o1 ZINC000417566977 1040015999 /nfs/dbraw/zinc/01/59/99/1040015999.db2.gz RVOJRXAKIONTGX-AWEZNQCLSA-N -1 0 344.194 3.648 20 0 EHADRM Cc1csc(CN[C@@]2(C(=O)[O-])C[C@H](C(C)C)c3ccccc32)n1 ZINC000417588227 1040041441 /nfs/dbraw/zinc/04/14/41/1040041441.db2.gz OUDGLJXWXJUULC-KDOFPFPSSA-N -1 0 330.453 3.665 20 0 EHADRM COc1cc(C)c(CNc2ccc(C[C@@H](C)C(=O)[O-])cc2)c(C)n1 ZINC000417612348 1040081793 /nfs/dbraw/zinc/08/17/93/1040081793.db2.gz RAVHGSHHUOGZEK-CYBMUJFWSA-N -1 0 328.412 3.582 20 0 EHADRM CN(CC(C)(C)C)C(=O)Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000584850384 1040094370 /nfs/dbraw/zinc/09/43/70/1040094370.db2.gz ZYNBSAGJJXZNJM-UHFFFAOYSA-N -1 0 332.322 3.913 20 0 EHADRM CC(C)CN(C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C(C)C ZINC000667762518 1040108989 /nfs/dbraw/zinc/10/89/89/1040108989.db2.gz ZQNXKSQCQXRDCS-UHFFFAOYSA-N -1 0 335.835 3.738 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cc(C3CC3)oc2C2CC2)C1 ZINC000907629443 1040111501 /nfs/dbraw/zinc/11/15/01/1040111501.db2.gz QXEOCUUQGYEZML-AWEZNQCLSA-N -1 0 345.439 3.997 20 0 EHADRM Cc1nc([C@H](C)NC(=O)c2ccccc2C2(C)CC2)sc1C(=O)[O-] ZINC000907630502 1040111810 /nfs/dbraw/zinc/11/18/10/1040111810.db2.gz YIPAGTRKFMFDMT-NSHDSACASA-N -1 0 344.436 3.692 20 0 EHADRM Cc1nn(C(C)C)cc1CNc1ccc(S[C@H](C)C(=O)[O-])cc1 ZINC000417660267 1040123370 /nfs/dbraw/zinc/12/33/70/1040123370.db2.gz QCQIGAWWSKAPNE-CYBMUJFWSA-N -1 0 333.457 3.950 20 0 EHADRM CCn1nc(C)c(CNc2ccc(S[C@H](C)C(=O)[O-])cc2)c1C ZINC000417660469 1040123607 /nfs/dbraw/zinc/12/36/07/1040123607.db2.gz QKCKYQWKXRAWMO-CYBMUJFWSA-N -1 0 333.457 3.697 20 0 EHADRM CCOC[C@@H]([NH2+]Cc1ccc(-c2ccccc2Cl)s1)C(=O)[O-] ZINC000417664849 1040130108 /nfs/dbraw/zinc/13/01/08/1040130108.db2.gz ZEGDNPPSLGGKFF-CQSZACIVSA-N -1 0 339.844 3.648 20 0 EHADRM CCC(C)(C)c1ccccc1C(=O)N[C@@H](CC1(OC)CCC1)C(=O)[O-] ZINC000907693201 1040131429 /nfs/dbraw/zinc/13/14/29/1040131429.db2.gz JUNKESQCPYDCTF-INIZCTEOSA-N -1 0 347.455 3.516 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Nc2cc(C(C)=O)ccc2[O-])cc1 ZINC000512563486 1040133953 /nfs/dbraw/zinc/13/39/53/1040133953.db2.gz DQFVJNPJHWUIPU-LBPRGKRZSA-N -1 0 327.380 3.736 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cc(C(C)=O)ccc1[O-] ZINC000512569615 1040145533 /nfs/dbraw/zinc/14/55/33/1040145533.db2.gz UBXWXCKTOPLPLR-SFHVURJKSA-N -1 0 327.380 3.699 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(Cl)c3occc32)[C@H]2CCC[C@@H]21 ZINC000907735190 1040149281 /nfs/dbraw/zinc/14/92/81/1040149281.db2.gz GMKJIZAWYJGJNA-YVLXSGLVSA-N -1 0 347.798 3.802 20 0 EHADRM CCCN(C(=O)c1ccc2oc(=O)nc-2[n-]1)[C@@H](CC)c1ccccc1 ZINC000667473477 1040197692 /nfs/dbraw/zinc/19/76/92/1040197692.db2.gz LAXJUHHRZBHJGB-HNNXBMFYSA-N -1 0 339.395 3.932 20 0 EHADRM Cc1cccc(C)c1CN(C)C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000907888789 1040215509 /nfs/dbraw/zinc/21/55/09/1040215509.db2.gz JVQYANKSJGVQIZ-UHFFFAOYSA-N -1 0 329.440 3.687 20 0 EHADRM CC(C)(C)c1nc(=N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)s[n-]1 ZINC000489901777 1040228119 /nfs/dbraw/zinc/22/81/19/1040228119.db2.gz XRMSGMULAKMYDV-KGLIPLIRSA-N -1 0 335.448 3.729 20 0 EHADRM CC(C)OCCCCN=c1[n-]nc(Cc2ccc(Cl)cc2)s1 ZINC000489901702 1040229078 /nfs/dbraw/zinc/22/90/78/1040229078.db2.gz RXOMFOZMQFIBEC-UHFFFAOYSA-N -1 0 339.892 3.821 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]3c3cccc4ccccc43)[C@@H]2C1 ZINC000907941679 1040239465 /nfs/dbraw/zinc/23/94/65/1040239465.db2.gz UBYBUAVNQBHMRR-YZEAIEHJSA-N -1 0 349.430 3.559 20 0 EHADRM O=C(C[C@@H]1C=CCCC1)NN=c1[n-]c(-c2ccc(Cl)cc2)no1 ZINC000189475080 1040247200 /nfs/dbraw/zinc/24/72/00/1040247200.db2.gz IOBDZZNJGVMUIC-LLVKDONJSA-N -1 0 332.791 3.580 20 0 EHADRM O=C([O-])c1cccc2c1CCN2C(=O)[C@@H]1CCSc2ccccc21 ZINC000907984855 1040256742 /nfs/dbraw/zinc/25/67/42/1040256742.db2.gz XPSXODYTNYBKPQ-CQSZACIVSA-N -1 0 339.416 3.554 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N[C@H]1CCCC2(CC2)C1)C(=O)[O-] ZINC000907982652 1040257398 /nfs/dbraw/zinc/25/73/98/1040257398.db2.gz FPZIUGYAEZYDMT-OLZOCXBDSA-N -1 0 333.453 3.704 20 0 EHADRM CN(C(=O)C1CC(c2ccc(F)cc2)C1)c1cccc(CC(=O)[O-])c1 ZINC000908085556 1040279966 /nfs/dbraw/zinc/27/99/66/1040279966.db2.gz NHLLWVLIESCECD-UHFFFAOYSA-N -1 0 341.382 3.609 20 0 EHADRM CCOc1cc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])ccc1C ZINC000899310193 1040296551 /nfs/dbraw/zinc/29/65/51/1040296551.db2.gz CDVDOPXFAKENCO-OAHLLOKOSA-N -1 0 334.416 3.645 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000479490624 1040297362 /nfs/dbraw/zinc/29/73/62/1040297362.db2.gz PYNXCEAUSOHHMG-UHFFFAOYSA-N -1 0 348.449 3.886 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)/C=C\c1cc(C(=O)[O-])co1)C(C)(C)C ZINC000908118875 1040298379 /nfs/dbraw/zinc/29/83/79/1040298379.db2.gz GSZCULHXMVDWPM-QWPQOLDESA-N -1 0 342.395 3.598 20 0 EHADRM O=C(CCC1CCCCC1)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC000908159983 1040312792 /nfs/dbraw/zinc/31/27/92/1040312792.db2.gz IBSBXXNEPTWPJG-CSLYMUCUSA-N -1 0 339.501 3.592 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(OCC(F)F)cc1 ZINC000479510631 1040327104 /nfs/dbraw/zinc/32/71/04/1040327104.db2.gz MVYJYFSYSONQOT-UHFFFAOYSA-N -1 0 345.342 3.579 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])Cc2ccccc2)c(C)n1C(C)C ZINC000908223498 1040347870 /nfs/dbraw/zinc/34/78/70/1040347870.db2.gz AXIWXTDXEFNWPH-QGZVFWFLSA-N -1 0 342.439 3.502 20 0 EHADRM O=c1c(C(F)(F)F)c(C2CC2)[n-]n1Cc1cnc2ccccc2c1 ZINC000899353466 1040360420 /nfs/dbraw/zinc/36/04/20/1040360420.db2.gz OGTLCXIXNUKCNC-AWEZNQCLSA-N -1 0 333.313 3.522 20 0 EHADRM CC[C@H](c1n[n-]c(=NC(=O)N[C@@H](C)CC2CC2)s1)c1ccccc1 ZINC000497621367 1040396794 /nfs/dbraw/zinc/39/67/94/1040396794.db2.gz KPWSDFDQUKAUKG-WFASDCNBSA-N -1 0 344.484 3.812 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)CCc2ccc(-c3ccccc3)o2)C1 ZINC000908367961 1040415302 /nfs/dbraw/zinc/41/53/02/1040415302.db2.gz UFPUCKQSYBMESY-ZBFHGGJFSA-N -1 0 341.407 3.639 20 0 EHADRM C[C@H](C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1)c1c(Cl)cccc1Cl ZINC000908375195 1040420487 /nfs/dbraw/zinc/42/04/87/1040420487.db2.gz IKXHPAKVYOIZSK-GARJFASQSA-N -1 0 344.238 3.857 20 0 EHADRM C[C@@H](C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000908374374 1040420522 /nfs/dbraw/zinc/42/05/22/1040420522.db2.gz YSEYECIYPZOIFE-JFGNBEQYSA-N -1 0 344.238 3.857 20 0 EHADRM CCCC[C@@H](CC)C(=O)Nc1ccc(-n2[n-]c(C3CC3)cc2=O)nc1 ZINC000912867778 1040422587 /nfs/dbraw/zinc/42/25/87/1040422587.db2.gz JTPXVMXNHAIRPC-CYBMUJFWSA-N -1 0 342.443 3.739 20 0 EHADRM CCC[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000908403158 1040433006 /nfs/dbraw/zinc/43/30/06/1040433006.db2.gz CJLRCRDYDRGBPK-MFKMUULPSA-N -1 0 331.334 3.774 20 0 EHADRM CC[C@H](C)[C@H]([N-]S(=O)(=O)Cc1c(C)cccc1C)C(F)(F)F ZINC000555343139 1040437861 /nfs/dbraw/zinc/43/78/61/1040437861.db2.gz NDAHPHQYKUJPQB-HZMBPMFUSA-N -1 0 337.407 3.700 20 0 EHADRM COc1ccccc1-c1c(C)c2cc3c(cc2nc1C(=O)[O-])OCO3 ZINC000614185318 1040441190 /nfs/dbraw/zinc/44/11/90/1040441190.db2.gz ODZBRMBRXJGKHB-UHFFFAOYSA-N -1 0 337.331 3.646 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)N=c2nc(SC)[n-]s2)c1 ZINC000433027306 1040493134 /nfs/dbraw/zinc/49/31/34/1040493134.db2.gz UTIKOMQKEYEFBL-VIFPVBQESA-N -1 0 338.458 3.503 20 0 EHADRM CC[C@@H](C)c1cccc(NC(=O)N(C)[C@H](COC(C)C)C(=O)[O-])c1 ZINC000908628086 1040537388 /nfs/dbraw/zinc/53/73/88/1040537388.db2.gz MPBIWMQLICGCKS-CZUORRHYSA-N -1 0 336.432 3.542 20 0 EHADRM O=C([O-])Cc1c2ccccc2[nH]c1C(=O)N1CCC[C@@H]1C1CCCC1 ZINC000908751052 1040634161 /nfs/dbraw/zinc/63/41/61/1040634161.db2.gz NPSDTDYLHQEDDQ-QGZVFWFLSA-N -1 0 340.423 3.590 20 0 EHADRM CC[C@H](NC(=O)c1ccccc1CCC(=O)[O-])c1ccc(F)cc1F ZINC000908817549 1040664588 /nfs/dbraw/zinc/66/45/88/1040664588.db2.gz SJEWOUADACTAEY-KRWDZBQOSA-N -1 0 347.361 3.863 20 0 EHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)c2csc(C(=O)[O-])n2)o1 ZINC000908817554 1040664928 /nfs/dbraw/zinc/66/49/28/1040664928.db2.gz SLDTYGXRHATUBJ-LBPRGKRZSA-N -1 0 334.397 3.500 20 0 EHADRM CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000469010394 1040772418 /nfs/dbraw/zinc/77/24/18/1040772418.db2.gz PULPERJRSALHSA-UHFFFAOYSA-N -1 0 347.770 3.818 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)CC1CC(OC(C)(C)C)C1)c1ccccc1 ZINC000909065230 1040787154 /nfs/dbraw/zinc/78/71/54/1040787154.db2.gz BVUZWGZBIMYTPO-RXVBYEJPSA-N -1 0 347.455 3.548 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C[C@H]1CCc2sccc2C1=O ZINC000909086022 1040794250 /nfs/dbraw/zinc/79/42/50/1040794250.db2.gz JBFMMSCNGWSOGV-LLVKDONJSA-N -1 0 343.404 3.529 20 0 EHADRM CC1(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CCC(=O)CC1 ZINC000909120229 1040816885 /nfs/dbraw/zinc/81/68/85/1040816885.db2.gz WNEVNCCWHKHRQT-UHFFFAOYSA-N -1 0 331.393 3.687 20 0 EHADRM CC[C@@H]1C[C@@H](C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CCO1 ZINC000909123272 1040818015 /nfs/dbraw/zinc/81/80/15/1040818015.db2.gz SXMATEUXQIIVRT-GXFFZTMASA-N -1 0 333.409 3.743 20 0 EHADRM Cc1nc(CC(C)C)oc1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000909106887 1040824835 /nfs/dbraw/zinc/82/48/35/1040824835.db2.gz GXEWWBANKSZAOF-UHFFFAOYSA-N -1 0 336.775 3.785 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000327424355 1040839643 /nfs/dbraw/zinc/83/96/43/1040839643.db2.gz JLELFJQFEBMDCC-SJORKVTESA-N -1 0 338.407 3.652 20 0 EHADRM O=C([O-])Cc1ccc(-c2cccc(CO[C@H]3CCOC3)c2)c(Cl)c1 ZINC000899633435 1040885041 /nfs/dbraw/zinc/88/50/41/1040885041.db2.gz YCDGZKAQKRKNSU-INIZCTEOSA-N -1 0 346.810 3.940 20 0 EHADRM CCc1cc(C(=O)N=c2[n-]nc(-c3ccsc3)s2)oc1CC ZINC000487583267 1040978519 /nfs/dbraw/zinc/97/85/19/1040978519.db2.gz OPXUSQRUZKMJNT-UHFFFAOYSA-N -1 0 333.438 3.659 20 0 EHADRM O=C(Nc1nnc(-c2ccco2)s1)c1ncoc1-c1ccccc1 ZINC000601467753 1040992894 /nfs/dbraw/zinc/99/28/94/1040992894.db2.gz KDRMMPKMTQSLHI-UHFFFAOYSA-N -1 0 338.348 3.705 20 0 EHADRM Cc1cc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)nn1[C@H](C)C1CC1 ZINC000909837504 1041033881 /nfs/dbraw/zinc/03/38/81/1041033881.db2.gz WWLYZOZEOQKNRC-QWHCGFSZSA-N -1 0 341.411 3.603 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1ccccc1-c1ccncc1)CC(=O)[O-] ZINC000909874490 1041043922 /nfs/dbraw/zinc/04/39/22/1041043922.db2.gz GBEMUQWMWROQRM-HNNXBMFYSA-N -1 0 340.423 3.615 20 0 EHADRM C[C@@]1(C(=O)[O-])[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000899759490 1041058483 /nfs/dbraw/zinc/05/84/83/1041058483.db2.gz OTTZCGJXONCHKQ-YBFQDZRDSA-N -1 0 339.313 3.557 20 0 EHADRM Cc1c(C(=O)NCC2(CC(=O)[O-])CCCCC2)cnc2ccccc12 ZINC000555733658 1041075897 /nfs/dbraw/zinc/07/58/97/1041075897.db2.gz XPZKLGMRZIOIDC-UHFFFAOYSA-N -1 0 340.423 3.698 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)N[C@H](C)c1ccccc1OC(F)F ZINC000899762837 1041090858 /nfs/dbraw/zinc/09/08/58/1041090858.db2.gz XLBOHHWYKORZRW-VXGBXAGGSA-N -1 0 343.370 3.602 20 0 EHADRM COc1cc(C)ccc1NC(=O)C[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC000899766545 1041094715 /nfs/dbraw/zinc/09/47/15/1041094715.db2.gz ULJXSKULZZTHSE-HNNXBMFYSA-N -1 0 327.380 3.509 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000899765543 1041096015 /nfs/dbraw/zinc/09/60/15/1041096015.db2.gz QWDSGLUDTHAZEG-BXUZGUMPSA-N -1 0 339.432 3.616 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N[C@H]2CCCc3sccc32)C(=O)[O-])cc1 ZINC000899780657 1041102566 /nfs/dbraw/zinc/10/25/66/1041102566.db2.gz JLCJZNOJEJMWPA-CVEARBPZSA-N -1 0 343.448 3.809 20 0 EHADRM Cc1coc(-c2ccc(C)c(NC(=O)[C@@H]3C[C@]3(C(=O)[O-])C(C)C)c2)n1 ZINC000899774398 1041109980 /nfs/dbraw/zinc/10/99/80/1041109980.db2.gz RHPGMMNLBDMFNV-LIRRHRJNSA-N -1 0 342.395 3.644 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])C[C@H]1C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000899773773 1041110154 /nfs/dbraw/zinc/11/01/54/1041110154.db2.gz NPJGPJNUKUHCPD-BJOHPYRUSA-N -1 0 331.746 3.963 20 0 EHADRM O=C([O-])C[C@@H](c1ccccc1)C1CCN(C(=O)C2(C3CC3)CC2)CC1 ZINC000910039198 1041158595 /nfs/dbraw/zinc/15/85/95/1041158595.db2.gz XESBXEHJBJMKKV-SFHVURJKSA-N -1 0 341.451 3.674 20 0 EHADRM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000500345300 1041162201 /nfs/dbraw/zinc/16/22/01/1041162201.db2.gz WDLYQDPTGZKVBE-BBRMVZONSA-N -1 0 345.418 3.758 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)NC[C@@H](c1ccccc1)C(F)(F)F ZINC000899822510 1041164382 /nfs/dbraw/zinc/16/43/82/1041164382.db2.gz QHLVLJZPNYGTCX-KBPBESRZSA-N -1 0 345.361 3.586 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])C(=O)N[C@H](c1ccc(OC)cc1)C1CCC1 ZINC000899838704 1041203226 /nfs/dbraw/zinc/20/32/26/1041203226.db2.gz CPIFURYIZARKNJ-HKUYNNGSSA-N -1 0 333.428 3.544 20 0 EHADRM COc1cc(Cl)c(F)cc1NC(=O)[C@H](CC(=O)[O-])CC(C)C ZINC000899850821 1041223913 /nfs/dbraw/zinc/22/39/13/1041223913.db2.gz MVFCDYGHTHRLKS-VIFPVBQESA-N -1 0 331.771 3.563 20 0 EHADRM O=C([O-])C1(CC(=O)NCc2ccccc2SC(F)(F)F)CCC1 ZINC000899854417 1041235094 /nfs/dbraw/zinc/23/50/94/1041235094.db2.gz DYVCHPWUIGYARJ-UHFFFAOYSA-N -1 0 347.358 3.560 20 0 EHADRM CCCC[C@@H](CC)CC(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC000571330650 1041268852 /nfs/dbraw/zinc/26/88/52/1041268852.db2.gz LNISLSDPWFVDHJ-CYBMUJFWSA-N -1 0 332.444 3.880 20 0 EHADRM Cc1ccncc1CSc1n[n-]c(=NCc2ccccc2)s1 ZINC000433372096 1041343566 /nfs/dbraw/zinc/34/35/66/1041343566.db2.gz CLYSYIIZWTZORI-UHFFFAOYSA-N -1 0 328.466 3.568 20 0 EHADRM OC[C@H](N=c1[n-]nc(-c2ccccc2)s1)c1cccc(Cl)c1F ZINC000513042962 1041410382 /nfs/dbraw/zinc/41/03/82/1041410382.db2.gz WBBBEYFZOADTEK-ZDUSSCGKSA-N -1 0 349.818 3.565 20 0 EHADRM CCN(CC1CCC1)C(=O)N=c1[n-]nc(Cc2ccc(C)cc2)s1 ZINC000432074162 1041553986 /nfs/dbraw/zinc/55/39/86/1041553986.db2.gz FPWUQJFEDRNORJ-UHFFFAOYSA-N -1 0 344.484 3.513 20 0 EHADRM CN(Cc1ccc(Cl)c(F)c1)C(=O)CCc1ccccc1C(=O)[O-] ZINC000432096122 1041590294 /nfs/dbraw/zinc/59/02/94/1041590294.db2.gz DOVDOEAURVAKTR-UHFFFAOYSA-N -1 0 349.789 3.769 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000432110214 1041603036 /nfs/dbraw/zinc/60/30/36/1041603036.db2.gz HQVVMIYMMRRPGO-DKICVRJWSA-N -1 0 347.455 3.729 20 0 EHADRM C[C@]1(NC(=O)c2cc3cc(F)ccc3s2)CCCC[C@@H]1C(=O)[O-] ZINC000432114754 1041611091 /nfs/dbraw/zinc/61/10/91/1041611091.db2.gz VQSGQTRIRYKRRK-PXAZEXFGSA-N -1 0 335.400 3.804 20 0 EHADRM FC(F)c1n[n-]c(=NCCn2c3ccccc3c3ccccc32)o1 ZINC000432149963 1041656233 /nfs/dbraw/zinc/65/62/33/1041656233.db2.gz ACAJFSVWXVXYSE-UHFFFAOYSA-N -1 0 328.322 3.649 20 0 EHADRM Cc1c2cccc(C)c2oc1CN(C)C(=O)CC1(C(=O)[O-])CCC1 ZINC000652121395 1041661267 /nfs/dbraw/zinc/66/12/67/1041661267.db2.gz HVQKKZDESWLXDH-UHFFFAOYSA-N -1 0 329.396 3.653 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000013173666 1041667125 /nfs/dbraw/zinc/66/71/25/1041667125.db2.gz BLHNEKDUTKOACG-CQSZACIVSA-N -1 0 338.190 3.939 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc2c(c1)CCC2)c1ccc(Cl)cc1 ZINC000013174033 1041667368 /nfs/dbraw/zinc/66/73/68/1041667368.db2.gz JDCBCSPLMDHJIC-KRWDZBQOSA-N -1 0 343.810 3.775 20 0 EHADRM Cc1sc2nc(C)nc(N3CC[C@](C(=O)[O-])(C(C)C)C3)c2c1C ZINC000323366030 1042072054 /nfs/dbraw/zinc/07/20/54/1042072054.db2.gz YMODGWYHNCRASN-QGZVFWFLSA-N -1 0 333.457 3.554 20 0 EHADRM O=C([O-])CCCCNc1ncc(Br)c2ccsc21 ZINC000662880258 1042181177 /nfs/dbraw/zinc/18/11/77/1042181177.db2.gz UXHRSOIRTFDNON-UHFFFAOYSA-N -1 0 329.219 3.726 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1c1ccnc2cc(Br)ccc21 ZINC000662894158 1042203910 /nfs/dbraw/zinc/20/39/10/1042203910.db2.gz UGFHHRXRAFNNNG-WDEREUQCSA-N -1 0 349.228 3.687 20 0 EHADRM O=C([O-])[C@H](CNc1nnc(-c2ccccc2Cl)s1)C1CCC1 ZINC000662901402 1042212640 /nfs/dbraw/zinc/21/26/40/1042212640.db2.gz GHHYPMVHJSKJDR-LLVKDONJSA-N -1 0 337.832 3.771 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)CC(C)(C)CC(F)F ZINC000909371886 1042265584 /nfs/dbraw/zinc/26/55/84/1042265584.db2.gz WSTHSXBEYHXZRZ-ZDUSSCGKSA-N -1 0 327.371 3.699 20 0 EHADRM Cc1ccc(CCC(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)s1 ZINC000909372927 1042270280 /nfs/dbraw/zinc/27/02/80/1042270280.db2.gz QTNKTWFLRISGMA-INIZCTEOSA-N -1 0 331.437 3.630 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])[C@@H]1COc2ccc(Cl)cc2C1 ZINC000605888420 1042352880 /nfs/dbraw/zinc/35/28/80/1042352880.db2.gz ZKBGFMSEHVFOKG-JTQLQIEISA-N -1 0 338.190 3.889 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)ccc2o1 ZINC000663030039 1042362606 /nfs/dbraw/zinc/36/26/06/1042362606.db2.gz RPNVGGOJIKBGRT-CYBMUJFWSA-N -1 0 332.400 3.811 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)nn1-c1cccc(Cl)c1 ZINC000663044824 1042389494 /nfs/dbraw/zinc/38/94/94/1042389494.db2.gz CEJNYANAOIOWGA-AWEZNQCLSA-N -1 0 349.818 3.520 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(Br)c2)c1 ZINC000048652158 1042399425 /nfs/dbraw/zinc/39/94/25/1042399425.db2.gz KRUCFRJQQPVZSW-UHFFFAOYSA-N -1 0 344.205 3.697 20 0 EHADRM COc1ccc(CN(C)Cc2cccc(C(=O)[O-])c2Cl)cc1OC ZINC000652373395 1042427772 /nfs/dbraw/zinc/42/77/72/1042427772.db2.gz YWIKMNLUUUSWJJ-UHFFFAOYSA-N -1 0 349.814 3.687 20 0 EHADRM O=C([O-])C1(C(=O)N2CCC(c3cccc4ccccc43)CC2)CC=CC1 ZINC000663086935 1042436632 /nfs/dbraw/zinc/43/66/32/1042436632.db2.gz RDULWGOMBFCGMP-UHFFFAOYSA-N -1 0 349.430 3.967 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cc2ccccc2s1)c1ccc(F)cc1 ZINC000013257739 1042438899 /nfs/dbraw/zinc/43/88/99/1042438899.db2.gz KJMCROVMVFKHGF-CQSZACIVSA-N -1 0 343.379 3.986 20 0 EHADRM CN(C(=O)N=c1[n-]nc(/C=C\c2ccco2)s1)[C@@H]1CCC(C)(C)C1 ZINC000432263617 1042443362 /nfs/dbraw/zinc/44/33/62/1042443362.db2.gz IAUBUUXNHZKKTN-ZHRWSRJISA-N -1 0 346.456 3.766 20 0 EHADRM O=C([O-])c1cccnc1C[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000652410053 1042461180 /nfs/dbraw/zinc/46/11/80/1042461180.db2.gz XEKOQGTYYSJITO-LJQANCHMSA-N -1 0 335.407 3.988 20 0 EHADRM Cc1cc(NC(=O)c2c([O-])cc(F)cc2F)ccc1Br ZINC000049447116 1042465158 /nfs/dbraw/zinc/46/51/58/1042465158.db2.gz WAMQYXTWRNCSAT-UHFFFAOYSA-N -1 0 342.139 3.994 20 0 EHADRM CCn1cc(CN(Cc2cccc(C(=O)[O-])c2Cl)C(C)C)cn1 ZINC000652507578 1042511777 /nfs/dbraw/zinc/51/17/77/1042511777.db2.gz HXVLOGNJWCTOAJ-UHFFFAOYSA-N -1 0 335.835 3.665 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)N[C@H]1CCc2c1cccc2Cl ZINC000909400825 1042524220 /nfs/dbraw/zinc/52/42/20/1042524220.db2.gz KXEZKVZKDZNURW-KRWDZBQOSA-N -1 0 343.810 3.775 20 0 EHADRM Oc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2Cl)cc1O ZINC000254405135 1042594668 /nfs/dbraw/zinc/59/46/68/1042594668.db2.gz DQPMCLUMMMRZLW-UHFFFAOYSA-N -1 0 346.799 3.554 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccc(O[C@@H]2CC2(F)F)cc1 ZINC000663261437 1042608744 /nfs/dbraw/zinc/60/87/44/1042608744.db2.gz KJJZZPLJOUBAHF-GFCCVEGCSA-N -1 0 345.392 3.644 20 0 EHADRM CCCn1nccc1CN[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000663263315 1042611773 /nfs/dbraw/zinc/61/17/73/1042611773.db2.gz YDOATXLVDPACGM-AWEZNQCLSA-N -1 0 342.226 3.515 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)NCC(C)(C)CC(F)(F)F)C(=O)[O-] ZINC000663270669 1042618414 /nfs/dbraw/zinc/61/84/14/1042618414.db2.gz NLZGKHZOIAFDJX-SNVBAGLBSA-N -1 0 340.386 3.544 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)Nc1cc(Cl)c(F)c(Cl)c1)C(=O)[O-] ZINC000601986645 1042653487 /nfs/dbraw/zinc/65/34/87/1042653487.db2.gz DTSKFCOZBBMMMG-NTSWFWBYSA-N -1 0 340.203 3.666 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1ccccc1OC1CCCC1 ZINC000601988529 1042654904 /nfs/dbraw/zinc/65/49/04/1042654904.db2.gz AEQLJIWDNIXXMR-NEPJUHHUSA-N -1 0 337.441 3.541 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)Nc1ccc(Cl)c(Cl)c1)C1CCC1 ZINC000663337732 1042716871 /nfs/dbraw/zinc/71/68/71/1042716871.db2.gz TUPQOPHSMBOHTB-JTQLQIEISA-N -1 0 331.199 3.616 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1ncc(C(C)C)s1 ZINC000186986466 1042738323 /nfs/dbraw/zinc/73/83/23/1042738323.db2.gz ABIRDHURBXAXQI-UHFFFAOYSA-N -1 0 328.484 3.789 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)C1(C)C ZINC000659194913 1042752444 /nfs/dbraw/zinc/75/24/44/1042752444.db2.gz NKZWIHVSIDLGIP-FIDHJVLJSA-N -1 0 333.472 3.717 20 0 EHADRM C[C@H](C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1cccc(Cl)c1 ZINC000653330328 1042775370 /nfs/dbraw/zinc/77/53/70/1042775370.db2.gz DBFWOLBLHLRUNL-MZPVMMEZSA-N -1 0 343.810 3.873 20 0 EHADRM COc1ccc(-c2csc(CN=c3[n-]nc(C(F)F)o3)c2)cc1 ZINC000432316557 1042817082 /nfs/dbraw/zinc/81/70/82/1042817082.db2.gz XXWFXWCZSGZJEB-UHFFFAOYSA-N -1 0 337.351 3.778 20 0 EHADRM CCN1CCc2ccc([N-]S(=O)(=O)c3sc(C)cc3C)cc21 ZINC000644851176 1042988600 /nfs/dbraw/zinc/98/86/00/1042988600.db2.gz KPKAAKCZARUNEC-UHFFFAOYSA-N -1 0 336.482 3.548 20 0 EHADRM Cc1cncc([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)c1 ZINC000432385227 1043038372 /nfs/dbraw/zinc/03/83/72/1043038372.db2.gz DSQBSCYCMLPBOE-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)cnc1Cl ZINC000318350581 1043326349 /nfs/dbraw/zinc/32/63/49/1043326349.db2.gz DCLVIYBJQIASGR-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cn1c2cc(Cl)ccc2nc1-c1ccc(OCCC(=O)[O-])cc1 ZINC000432503493 1043580598 /nfs/dbraw/zinc/58/05/98/1043580598.db2.gz JZCDXLPPJADMNU-UHFFFAOYSA-N -1 0 330.771 3.747 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N[C@@H]2c3ccccc3O[C@@H]2C)s1 ZINC000344298474 1043620718 /nfs/dbraw/zinc/62/07/18/1043620718.db2.gz DUYAYTRYHGPVDH-YGRLFVJLSA-N -1 0 346.456 3.507 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3cncnc3)cc2)s1 ZINC000344357671 1043731010 /nfs/dbraw/zinc/73/10/10/1043731010.db2.gz JLJHARNNGVGHCM-UHFFFAOYSA-N -1 0 345.449 3.568 20 0 EHADRM O=S(=O)([N-]c1ccnn1-c1ccccc1)c1cccc2ccccc21 ZINC000437177599 1044759876 /nfs/dbraw/zinc/75/98/76/1044759876.db2.gz ACGMCTCPZDOFNL-UHFFFAOYSA-N -1 0 349.415 3.826 20 0 EHADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000404833864 1125519162 /nfs/dbraw/zinc/51/91/62/1125519162.db2.gz WJALKHVLLKCAAS-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Br)c(F)cc1[O-] ZINC000620427639 1125569755 /nfs/dbraw/zinc/56/97/55/1125569755.db2.gz BPOIAWNORMMCCY-PBINXNQUSA-N -1 0 342.208 3.697 20 0 EHADRM CC[C@@H]1CCC[C@H](C)N1C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000620579224 1125599859 /nfs/dbraw/zinc/59/98/59/1125599859.db2.gz WSASBVRCKIVJHM-WCQYABFASA-N -1 0 349.381 3.649 20 0 EHADRM CCOc1ncccc1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000154725239 1125751738 /nfs/dbraw/zinc/75/17/38/1125751738.db2.gz QWUPGDKZBBZZMI-UHFFFAOYSA-N -1 0 327.167 3.745 20 0 EHADRM CC(C)C[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000184907195 1126707301 /nfs/dbraw/zinc/70/73/01/1126707301.db2.gz AHZGILKZOYETAO-LLVKDONJSA-N -1 0 331.503 3.533 20 0 EHADRM CCCC[C@@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)C(=O)[O-] ZINC000184999298 1126732217 /nfs/dbraw/zinc/73/22/17/1126732217.db2.gz PBRLVNCVRXTMTN-LLVKDONJSA-N -1 0 343.210 3.848 20 0 EHADRM CC(C)c1ccc(S(=O)(=O)[N-]c2ccnn2[C@@H](C)C2CC2)cc1 ZINC000171342565 1126762846 /nfs/dbraw/zinc/76/28/46/1126762846.db2.gz JSCZSWJMMGCTIX-ZDUSSCGKSA-N -1 0 333.457 3.778 20 0 EHADRM CC(C)c1ccc(S(=O)(=O)[N-]c2ccnn2[C@H](C)C2CC2)cc1 ZINC000171342568 1126762872 /nfs/dbraw/zinc/76/28/72/1126762872.db2.gz JSCZSWJMMGCTIX-CYBMUJFWSA-N -1 0 333.457 3.778 20 0 EHADRM Cc1c(Cl)c(CN2CCC[C@@H](C)[C@@H]2C(=O)[O-])nc2ccccc12 ZINC000336874346 1126813438 /nfs/dbraw/zinc/81/34/38/1126813438.db2.gz YRGJUKLUTIYBQR-PIGZYNQJSA-N -1 0 332.831 3.882 20 0 EHADRM CSc1nc(=NC(=O)c2cc3c(s2)CCCCCC3)s[n-]1 ZINC000623048593 1126866598 /nfs/dbraw/zinc/86/65/98/1126866598.db2.gz FXUUAWDWRYZGAL-UHFFFAOYSA-N -1 0 339.511 3.655 20 0 EHADRM C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000623207631 1126895936 /nfs/dbraw/zinc/89/59/36/1126895936.db2.gz YQAQUOCXHUINBQ-XCBNKYQSSA-N -1 0 340.210 3.727 20 0 EHADRM CCCN(C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-])C1CC1 ZINC000176289186 1126909584 /nfs/dbraw/zinc/90/95/84/1126909584.db2.gz AQBZKKYVZGLJNE-UHFFFAOYSA-N -1 0 327.428 3.716 20 0 EHADRM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cc(C)ccc2F)n[nH]1 ZINC000470485096 1127055258 /nfs/dbraw/zinc/05/52/58/1127055258.db2.gz CYABRPMBKWSRBS-NSHDSACASA-N -1 0 325.409 3.562 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2)c1Cl ZINC000179983380 1127106298 /nfs/dbraw/zinc/10/62/98/1127106298.db2.gz PWPFMBDHOAEEIG-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM O=C(NCc1cc(Br)cs1)c1ccc(Cl)c([O-])c1 ZINC001626024556 1127198024 /nfs/dbraw/zinc/19/80/24/1127198024.db2.gz GQSSRUDCHZMAGC-UHFFFAOYSA-N -1 0 346.633 3.800 20 0 EHADRM Cc1cnc([C@H](N=c2[n-]c(-c3ccc(F)cc3)no2)C2CC2)s1 ZINC000623997224 1127229540 /nfs/dbraw/zinc/22/95/40/1127229540.db2.gz FUNAFJSBHDDXNK-CYBMUJFWSA-N -1 0 330.388 3.626 20 0 EHADRM CC(C)CCS(=O)(=O)[N-][C@H](c1cccc(F)c1F)C(F)(F)F ZINC000182875173 1127352021 /nfs/dbraw/zinc/35/20/21/1127352021.db2.gz USIZYXPGEAPLHB-GFCCVEGCSA-N -1 0 345.333 3.534 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cnn(C3CCCC3)c2)c1Cl ZINC000901767326 1127443541 /nfs/dbraw/zinc/44/35/41/1127443541.db2.gz ICTUAELZQSYWMF-UHFFFAOYSA-N -1 0 339.848 3.761 20 0 EHADRM O=S(=O)([N-]c1ccc(F)nc1)c1ccc2oc3ccccc3c2c1 ZINC000764542064 1127504551 /nfs/dbraw/zinc/50/45/51/1127504551.db2.gz OAESAYHGHVMFBC-UHFFFAOYSA-N -1 0 342.351 3.921 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)[N-]S(=O)(=O)CC(C)(C)C ZINC000764772736 1127531995 /nfs/dbraw/zinc/53/19/95/1127531995.db2.gz MFJDKSDDHAZMAZ-UHFFFAOYSA-N -1 0 349.905 3.558 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N(C)Cc2ccc(C(C)(C)C)cc2)s1 ZINC000642441944 1127590876 /nfs/dbraw/zinc/59/08/76/1127590876.db2.gz WBCWSFQPQIGUMN-UHFFFAOYSA-N -1 0 346.500 3.874 20 0 EHADRM CC(C)C[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000765603417 1127701547 /nfs/dbraw/zinc/70/15/47/1127701547.db2.gz HDRKGLLVQJJKQV-HNNXBMFYSA-N -1 0 345.464 3.841 20 0 EHADRM CCN(CCCNC(=O)c1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000024113869 1127702356 /nfs/dbraw/zinc/70/23/56/1127702356.db2.gz HOYAAYXANKZCPE-UHFFFAOYSA-N -1 0 332.831 3.692 20 0 EHADRM O=S(=O)([N-]c1ccc(OCc2ccccc2)nc1)c1ccsc1 ZINC000671658412 1127763537 /nfs/dbraw/zinc/76/35/37/1127763537.db2.gz UQKHJZVKWHXZLZ-UHFFFAOYSA-N -1 0 346.433 3.523 20 0 EHADRM O=C(N=c1[n-]nc(C(F)F)s1)NC1CCC2(CCCCC2)CC1 ZINC000347500941 1128016934 /nfs/dbraw/zinc/01/69/34/1128016934.db2.gz RYMZAACPNRQMIS-UHFFFAOYSA-N -1 0 344.431 3.912 20 0 EHADRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC000057123390 1128037832 /nfs/dbraw/zinc/03/78/32/1128037832.db2.gz NXRPOZUOWQAPLA-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)N1CCCC2(CCCCC2)CC1 ZINC000347558021 1128084557 /nfs/dbraw/zinc/08/45/57/1128084557.db2.gz GSTUFAPQWUUMOS-UHFFFAOYSA-N -1 0 328.460 3.744 20 0 EHADRM CCCCCc1nnc(NC(=O)c2cc(=O)c3ccccc3[n-]2)s1 ZINC000066968750 1128230888 /nfs/dbraw/zinc/23/08/88/1128230888.db2.gz DTLHFYQLMDCQJV-UHFFFAOYSA-N -1 0 342.424 3.777 20 0 EHADRM O=C(CCSc1ccc(Cl)cc1)[N-]S(=O)(=O)CC1CC1 ZINC000073539143 1128395572 /nfs/dbraw/zinc/39/55/72/1128395572.db2.gz AWGVCQRKIKIXTB-UHFFFAOYSA-N -1 0 333.862 3.519 20 0 EHADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000055546946 1128522724 /nfs/dbraw/zinc/52/27/24/1128522724.db2.gz ZYGIHSCRYLPHML-UHFFFAOYSA-N -1 0 335.425 3.592 20 0 EHADRM CC[C@@H](CNC(=O)N=c1ncn(C2CCCCC2)[n-]1)c1ccccc1 ZINC000542721024 1128560833 /nfs/dbraw/zinc/56/08/33/1128560833.db2.gz INPXGMXIOOKVJO-HNNXBMFYSA-N -1 0 341.459 3.521 20 0 EHADRM O=C(N=c1[n-]nc(-c2cc3ccccc3o2)s1)N[C@H]1CC=CCC1 ZINC000470511619 1128604705 /nfs/dbraw/zinc/60/47/05/1128604705.db2.gz PUSXNWBCRBZLKL-LBPRGKRZSA-N -1 0 340.408 3.603 20 0 EHADRM Cc1cccc(O)c1C(=O)N1CCC[C@H]1c1nc2ccccc2n1C ZINC000624755029 1128642726 /nfs/dbraw/zinc/64/27/26/1128642726.db2.gz ZBNXWUOOVLFREV-INIZCTEOSA-N -1 0 335.407 3.565 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C3CCCC3)nn2C)c(C)c1 ZINC000542864643 1128709054 /nfs/dbraw/zinc/70/90/54/1128709054.db2.gz HYYKXAQTUSILLV-UHFFFAOYSA-N -1 0 347.484 3.804 20 0 EHADRM O=C(N=c1ccc(C(F)(F)F)n[n-]1)c1cc(Cl)sc1Cl ZINC000542921575 1128845811 /nfs/dbraw/zinc/84/58/11/1128845811.db2.gz WWVLSROCSBCTRY-UHFFFAOYSA-N -1 0 342.129 3.538 20 0 EHADRM C[C@H](OCC1CC1)C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000677802406 1128852304 /nfs/dbraw/zinc/85/23/04/1128852304.db2.gz QQXDRWGYTVAIKI-ZETCQYMHSA-N -1 0 348.624 3.562 20 0 EHADRM O=C(Nc1ccc(C(=O)C(F)(F)F)cc1)c1cc(F)ccc1[O-] ZINC001648841674 1120052608 /nfs/dbraw/zinc/05/26/08/1120052608.db2.gz DPHYTHJIJURBMZ-UHFFFAOYSA-N -1 0 327.233 3.529 20 0 EHADRM O=C(Nc1cc(F)ccn1)c1cc(OCc2ccccc2)ccc1O ZINC001648904646 1120064160 /nfs/dbraw/zinc/06/41/60/1120064160.db2.gz DYPFGHSGUNYUFF-UHFFFAOYSA-N -1 0 338.338 3.758 20 0 EHADRM O=S(=O)([N-]c1ncccc1Cl)c1cc(Cl)ccc1Cl ZINC000226510158 1120166481 /nfs/dbraw/zinc/16/64/81/1120166481.db2.gz HVQPKPIACIJMTI-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)CCCc1nc2ccccc2s1 ZINC000236706814 1120203937 /nfs/dbraw/zinc/20/39/37/1120203937.db2.gz DDUJDLGKHMBYJJ-UHFFFAOYSA-N -1 0 348.468 3.578 20 0 EHADRM CC(C)Sc1ccc(C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])cc1 ZINC000263007394 1120313061 /nfs/dbraw/zinc/31/30/61/1120313061.db2.gz PJACORNGWWHAGI-NUEKZKHPSA-N -1 0 333.453 3.512 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)CCc2ccc3ccccc3c2)C1 ZINC000263006690 1120313099 /nfs/dbraw/zinc/31/30/99/1120313099.db2.gz WVOZRBWAMVYRHM-NRFANRHFSA-N -1 0 339.435 3.732 20 0 EHADRM CCCCOc1ccccc1CN[C@H](CC)c1nc(C(=O)[O-])c[nH]1 ZINC000904065179 1120351731 /nfs/dbraw/zinc/35/17/31/1120351731.db2.gz PJQUTKLCLPEPHI-CQSZACIVSA-N -1 0 331.416 3.528 20 0 EHADRM O=C([O-])[C@@H](CC(=O)Nc1ccccc1Br)c1ccccc1 ZINC000013253072 1128919594 /nfs/dbraw/zinc/91/95/94/1128919594.db2.gz JNVZDKKZWQIRFS-LBPRGKRZSA-N -1 0 348.196 3.646 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccccc1C(C)C ZINC000188926896 1120517972 /nfs/dbraw/zinc/51/79/72/1120517972.db2.gz NGKBWUOPPGLVQM-UHFFFAOYSA-N -1 0 333.409 3.617 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cnc(Cl)cc2C)c(Cl)cc1F ZINC000153002831 1120527256 /nfs/dbraw/zinc/52/72/56/1120527256.db2.gz SBKJWQIUMDAFKV-UHFFFAOYSA-N -1 0 349.214 3.945 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2nnc(CC(C)C)o2)cc1 ZINC000194856738 1120866043 /nfs/dbraw/zinc/86/60/43/1120866043.db2.gz UNANOFPFORHULW-GFCCVEGCSA-N -1 0 337.445 3.582 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC[C@@H]1c1ccc(O)cc1 ZINC000761746509 1120869946 /nfs/dbraw/zinc/86/99/46/1120869946.db2.gz VXSCCZUWPCGYGI-OAHLLOKOSA-N -1 0 340.404 3.799 20 0 EHADRM O=C([O-])c1cc(Cl)cnc1N[C@H](c1ccccn1)C(F)(F)F ZINC001168477127 1120950095 /nfs/dbraw/zinc/95/00/95/1120950095.db2.gz AZMUSBFFWDOSCN-SNVBAGLBSA-N -1 0 331.681 3.544 20 0 EHADRM CC(C)Oc1cc(-c2noc(-c3cccc(Cl)c3[O-])n2)ccn1 ZINC000761816455 1120963468 /nfs/dbraw/zinc/96/34/68/1120963468.db2.gz HDQPZZPFNYOUAW-UHFFFAOYSA-N -1 0 331.759 3.945 20 0 EHADRM Cc1cc(Br)cc(NC(=O)CC2(C(=O)[O-])CCCC2)c1 ZINC000230224330 1120999060 /nfs/dbraw/zinc/99/90/60/1120999060.db2.gz OZYPZTIAUYCCKL-UHFFFAOYSA-N -1 0 340.217 3.731 20 0 EHADRM CSCc1ccc([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)cc1 ZINC000761950751 1121014667 /nfs/dbraw/zinc/01/46/67/1121014667.db2.gz OWNZSRXYLRLDHQ-UHFFFAOYSA-N -1 0 346.836 3.538 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)c1ccnn1C1CCCC1)C(=O)[O-] ZINC000761952499 1121015312 /nfs/dbraw/zinc/01/53/12/1121015312.db2.gz VAOUCWJKHFBMMS-GOSISDBHSA-N -1 0 335.448 3.542 20 0 EHADRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1N(C)C ZINC000303358261 1121138977 /nfs/dbraw/zinc/13/89/77/1121138977.db2.gz IOHCJGCGSCYKIL-UHFFFAOYSA-N -1 0 342.823 3.654 20 0 EHADRM CCOC(=O)Cc1nc(-c2ccc(Cl)c(C(=O)[O-])c2)sc1C ZINC000901000758 1121269386 /nfs/dbraw/zinc/26/93/86/1121269386.db2.gz MMNGVONEUNVXPZ-UHFFFAOYSA-N -1 0 339.800 3.576 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2cc(F)c(F)c(F)c2)CCCCC1 ZINC000238090162 1121502487 /nfs/dbraw/zinc/50/24/87/1121502487.db2.gz PIPNJLJJKKVMHY-UHFFFAOYSA-N -1 0 329.318 3.858 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)CSc2ccc(F)c(F)c2)cc1 ZINC000238148449 1121504508 /nfs/dbraw/zinc/50/45/08/1121504508.db2.gz LOAAROAXXCMUGP-FPYGCLRLSA-N -1 0 349.358 3.793 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)CCSc2ccccc2Cl)CC1 ZINC000316314658 1121535463 /nfs/dbraw/zinc/53/54/63/1121535463.db2.gz XZMPZJHEOQISDG-UHFFFAOYSA-N -1 0 341.860 3.536 20 0 EHADRM Cc1c2ccccc2oc1C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000916176326 1122083210 /nfs/dbraw/zinc/08/32/10/1122083210.db2.gz IBNVRQCOANCRIY-UHFFFAOYSA-N -1 0 349.795 3.513 20 0 EHADRM CCc1cc(=O)[nH]c(CSCc2coc(-c3ccc(F)cc3)n2)n1 ZINC000125795373 1122341240 /nfs/dbraw/zinc/34/12/40/1122341240.db2.gz CRXDTTXEVGCOEO-UHFFFAOYSA-N -1 0 345.399 3.972 20 0 EHADRM CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(CCC)cc1 ZINC000916790582 1122349897 /nfs/dbraw/zinc/34/98/97/1122349897.db2.gz LUTOSVAPRWCABA-HNNXBMFYSA-N -1 0 325.474 3.660 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2c(C)noc2C2CC2)cc1CC ZINC000126846104 1122446916 /nfs/dbraw/zinc/44/69/16/1122446916.db2.gz HZKUJWNRBHYPHK-UHFFFAOYSA-N -1 0 334.441 3.786 20 0 EHADRM CC(C)Cn1ncc(C(=O)Nc2cccc(O)c2F)c1C(F)F ZINC000128703135 1122652314 /nfs/dbraw/zinc/65/23/14/1122652314.db2.gz BFBSAENSSSYYKI-UHFFFAOYSA-N -1 0 327.306 3.574 20 0 EHADRM O=S(=O)(Nc1ccc(OCC2CC2)cc1)c1cccc(Cl)c1 ZINC000497946353 1122709684 /nfs/dbraw/zinc/70/96/84/1122709684.db2.gz NNBZVUYVHVETHW-UHFFFAOYSA-N -1 0 337.828 3.930 20 0 EHADRM O=C(Nc1cccc2cnncc21)c1c([O-])cc(Cl)cc1Cl ZINC000670431338 1122743913 /nfs/dbraw/zinc/74/39/13/1122743913.db2.gz ISXUDTQXGGQZFW-UHFFFAOYSA-N -1 0 334.162 3.895 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N(CCc2ccccc2)C2CCCC2)CC1 ZINC000262715361 1122780316 /nfs/dbraw/zinc/78/03/16/1122780316.db2.gz NDDLPZDZFFIUFF-IYARVYRRSA-N -1 0 343.467 3.891 20 0 EHADRM O=C(CSc1ccc(O)cc1)Nc1ccc(O)c(C(F)(F)F)c1 ZINC000129966283 1122858636 /nfs/dbraw/zinc/85/86/36/1122858636.db2.gz CIJCWYIQLYADTM-UHFFFAOYSA-N -1 0 343.326 3.847 20 0 EHADRM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1nc(C(C)(C)C)co1 ZINC000556175448 1122860593 /nfs/dbraw/zinc/86/05/93/1122860593.db2.gz TVNKVCOWGAXLQF-UHFFFAOYSA-N -1 0 328.821 3.735 20 0 EHADRM CCN(C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-])C1CCC1 ZINC000556267676 1122907177 /nfs/dbraw/zinc/90/71/77/1122907177.db2.gz YILKBNYNJRGPCB-UHFFFAOYSA-N -1 0 327.428 3.716 20 0 EHADRM CC(C)c1ccccc1[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000070774664 1122921320 /nfs/dbraw/zinc/92/13/20/1122921320.db2.gz DWYAQNVLAZHWNU-UHFFFAOYSA-N -1 0 341.436 3.797 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(F)cc2Cl)on1 ZINC000172834301 1129091325 /nfs/dbraw/zinc/09/13/25/1129091325.db2.gz FUUHWFFJRAMLSL-UHFFFAOYSA-N -1 0 332.784 3.565 20 0 EHADRM CN(CCCCc1ccccc1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000542613291 1122989954 /nfs/dbraw/zinc/98/99/54/1122989954.db2.gz SCRLIXAAPZPOLI-UHFFFAOYSA-N -1 0 337.341 3.904 20 0 EHADRM O=S(=O)([N-]c1ccc(C(F)(F)F)cn1)c1ccccc1Cl ZINC000071675408 1122991776 /nfs/dbraw/zinc/99/17/76/1122991776.db2.gz UTMQUBUUERJTRE-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM CC[C@@H](C(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC)c1ccccc1 ZINC000262910319 1123083961 /nfs/dbraw/zinc/08/39/61/1123083961.db2.gz QPAZHEBPZADPLB-CQSZACIVSA-N -1 0 343.379 3.534 20 0 EHADRM O=S(=O)([N-]C1(C(F)F)CCCCC1)c1cc2ccccc2o1 ZINC000556803702 1123126000 /nfs/dbraw/zinc/12/60/00/1123126000.db2.gz KNHXDDIBFBSEIO-UHFFFAOYSA-N -1 0 329.368 3.679 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C)cc1 ZINC000499267960 1123323380 /nfs/dbraw/zinc/32/33/80/1123323380.db2.gz QXOKZINKDPXONP-UHFFFAOYSA-N -1 0 335.473 3.601 20 0 EHADRM CCC(CC)(CC(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1)C(=O)[O-] ZINC000133175650 1123355181 /nfs/dbraw/zinc/35/51/81/1123355181.db2.gz ZDNOMBIGHBSQSD-RDJZCZTQSA-N -1 0 347.455 3.552 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000237011998 1123487917 /nfs/dbraw/zinc/48/79/17/1123487917.db2.gz USRKHIZRDVEFSF-INIZCTEOSA-N -1 0 327.380 3.798 20 0 EHADRM CC(C)COc1ccccc1CNC(=O)c1c([O-])cc(F)cc1F ZINC000066049979 1129126437 /nfs/dbraw/zinc/12/64/37/1129126437.db2.gz ZPEKWNJNNDWNBJ-UHFFFAOYSA-N -1 0 335.350 3.635 20 0 EHADRM CC1(C)C[C@H](c2ccccc2)N(C(=O)Cc2ccccc2C(=O)[O-])C1 ZINC000649266092 1123520665 /nfs/dbraw/zinc/52/06/65/1123520665.db2.gz XOVUTBKLJFRJHQ-GOSISDBHSA-N -1 0 337.419 3.927 20 0 EHADRM CCc1nc2ccccc2n1CC(=O)Nc1cccc(Cl)c1[O-] ZINC000077011391 1123529498 /nfs/dbraw/zinc/52/94/98/1123529498.db2.gz UNHXMTZZNGWLDS-UHFFFAOYSA-N -1 0 329.787 3.596 20 0 EHADRM CC(=O)Nc1cc(NC(=O)c2c([O-])cc(F)cc2F)ccc1Cl ZINC000066054041 1129127753 /nfs/dbraw/zinc/12/77/53/1129127753.db2.gz VJRRCCRAVHTNAR-UHFFFAOYSA-N -1 0 340.713 3.535 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)cc1C ZINC000134770790 1123552025 /nfs/dbraw/zinc/55/20/25/1123552025.db2.gz ZOSIVUYGJRVJMP-UHFFFAOYSA-N -1 0 339.363 3.585 20 0 EHADRM Cc1ccc(C(C)(C)C)cc1S([O-])=CC(=O)NC1CCCCC1 ZINC000609359636 1123562192 /nfs/dbraw/zinc/56/21/92/1123562192.db2.gz AZNUOOJWFVRDPC-QHCPKHFHSA-N -1 0 335.513 3.849 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCC(CCc3ccccc3)CC2)c1 ZINC000238204451 1123570779 /nfs/dbraw/zinc/57/07/79/1123570779.db2.gz WTIPTTGABISJIK-UHFFFAOYSA-N -1 0 337.419 3.870 20 0 EHADRM Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3cc(C)ccc3F)c2C)o1 ZINC000135404606 1123609499 /nfs/dbraw/zinc/60/94/99/1123609499.db2.gz PSGFWRPUDJDLDY-UHFFFAOYSA-N -1 0 349.387 3.535 20 0 EHADRM CC(C)Cn1cnc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)c1 ZINC000135635180 1123634303 /nfs/dbraw/zinc/63/43/03/1123634303.db2.gz FFWUKMLOPYJXGX-UHFFFAOYSA-N -1 0 348.255 3.647 20 0 EHADRM CCC[C@@H](NC(=O)CC1CCC(c2ccccc2)CC1)c1nnn[n-]1 ZINC000136672817 1123716971 /nfs/dbraw/zinc/71/69/71/1123716971.db2.gz YNCAVPARONKEJY-BDVYOWHSSA-N -1 0 341.459 3.521 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)on1 ZINC000175649529 1123730527 /nfs/dbraw/zinc/73/05/27/1123730527.db2.gz AMTXXAXWLGXDLM-UHFFFAOYSA-N -1 0 332.425 3.701 20 0 EHADRM CCN(C(=O)c1nn(-c2ccc(F)cc2C)cc1[O-])c1ccccc1 ZINC000080468663 1123755240 /nfs/dbraw/zinc/75/52/40/1123755240.db2.gz AJQLBAXUKJLHHC-UHFFFAOYSA-N -1 0 339.370 3.692 20 0 EHADRM Cc1nc2ccccc2cc1C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000237758494 1123843020 /nfs/dbraw/zinc/84/30/20/1123843020.db2.gz XBFIAVPEQNZABW-DHZHZOJOSA-N -1 0 332.359 3.893 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)C1 ZINC000179976271 1123911025 /nfs/dbraw/zinc/91/10/25/1123911025.db2.gz MYYKOSJWSPOWGY-RVKKMQEKSA-N -1 0 327.424 3.556 20 0 EHADRM O=C(c1ccc2oc(=O)nc-2[n-]1)N1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000616193171 1123960337 /nfs/dbraw/zinc/96/03/37/1123960337.db2.gz XXTLOETZQRYYEG-INIZCTEOSA-N -1 0 349.390 3.686 20 0 EHADRM O=c1cc(C[NH2+]C2(c3cccc(Cl)c3)CC2)c2ccc(O)cc2o1 ZINC000180257043 1123976424 /nfs/dbraw/zinc/97/64/24/1123976424.db2.gz VHTNCCFXFDKHGJ-UHFFFAOYSA-N -1 0 341.794 3.931 20 0 EHADRM O=C([O-])CCCCCNC(=O)C1(c2cccc(F)c2)CCCCC1 ZINC000238138137 1123992205 /nfs/dbraw/zinc/99/22/05/1123992205.db2.gz RZPJQLWISGYXNI-UHFFFAOYSA-N -1 0 335.419 3.789 20 0 EHADRM C[C@H]1CSc2ccccc2N(C(=O)c2s[n-]c(=O)c2Cl)C1 ZINC000616827320 1124041339 /nfs/dbraw/zinc/04/13/39/1124041339.db2.gz CBCRUPOLMQQDEL-MRVPVSSYSA-N -1 0 340.857 3.891 20 0 EHADRM CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCC(C)(C)C(=O)[O-] ZINC000263550757 1124081447 /nfs/dbraw/zinc/08/14/47/1124081447.db2.gz WGLUESGSBDJXKU-LBPRGKRZSA-N -1 0 345.361 3.501 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000263557543 1124453164 /nfs/dbraw/zinc/45/31/64/1124453164.db2.gz ZNLXQMQKORDYJZ-BZUAXINKSA-N -1 0 335.831 3.895 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2nc(CC(=O)[O-])cs2)cc1Cl ZINC000649353107 1124503065 /nfs/dbraw/zinc/50/30/65/1124503065.db2.gz PFBQQFOWWAAFIO-UHFFFAOYSA-N -1 0 338.816 3.799 20 0 EHADRM COc1ccccc1[C@@H](CC(C)C)NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000263571495 1124538322 /nfs/dbraw/zinc/53/83/22/1124538322.db2.gz JLRHHFNDUUVKCE-BFYDXBDKSA-N -1 0 347.455 3.790 20 0 EHADRM O=S(=O)([N-]c1cc(-c2cccs2)[nH]n1)c1cc2ccccc2o1 ZINC000084919787 1124604871 /nfs/dbraw/zinc/60/48/71/1124604871.db2.gz AXCGMYNAWGOUIW-UHFFFAOYSA-N -1 0 345.405 3.685 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(CCC(F)(F)F)Cc2ccccc2)o1 ZINC000263577988 1124674275 /nfs/dbraw/zinc/67/42/75/1124674275.db2.gz SDKAVVBPLUHTPZ-UHFFFAOYSA-N -1 0 341.285 3.573 20 0 EHADRM CC[C@@H](CN(CC)C(=O)c1ccc(C(=O)[O-])c(C)n1)c1ccccc1 ZINC000263582115 1124735758 /nfs/dbraw/zinc/73/57/58/1124735758.db2.gz YDDIYOUXYKVTTD-HNNXBMFYSA-N -1 0 340.423 3.744 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000734965946 1131296806 /nfs/dbraw/zinc/29/68/06/1131296806.db2.gz RCXSQXQSIIVKTN-HNNXBMFYSA-N -1 0 337.485 3.515 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1 ZINC000250597146 1124820779 /nfs/dbraw/zinc/82/07/79/1124820779.db2.gz SYKLLBZSPGBCFX-OIISXLGYSA-N -1 0 329.440 3.842 20 0 EHADRM CCCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000735202843 1131316628 /nfs/dbraw/zinc/31/66/28/1131316628.db2.gz GEJYPQQHEIUIJM-HNNXBMFYSA-N -1 0 325.474 3.797 20 0 EHADRM Nc1cc(Nc2ccc3ccccc3c2S(=O)(=O)[O-])ccc1F ZINC001212343263 1124895528 /nfs/dbraw/zinc/89/55/28/1124895528.db2.gz FVCHGHHJSARYFR-UHFFFAOYSA-N -1 0 332.356 3.551 20 0 EHADRM COc1cc(C(=O)NCCc2ccc(C)c(C)c2)cc(Cl)c1O ZINC000618163035 1125007136 /nfs/dbraw/zinc/00/71/36/1125007136.db2.gz QIPNVGHLHSILGJ-UHFFFAOYSA-N -1 0 333.815 3.644 20 0 EHADRM O=S(=O)([N-]c1ccc(Oc2ccc(F)cc2)cn1)c1ccccc1 ZINC000069678066 1125010652 /nfs/dbraw/zinc/01/06/52/1125010652.db2.gz JMIIBBTZODYOSA-UHFFFAOYSA-N -1 0 344.367 3.814 20 0 EHADRM CC(C)Cc1nc(=NC(=O)CCCCC(=O)c2ccccc2)s[n-]1 ZINC000618347854 1125057830 /nfs/dbraw/zinc/05/78/30/1125057830.db2.gz VXLOIDUUUFEWFO-UHFFFAOYSA-N -1 0 345.468 3.540 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)c(O)c1 ZINC000092259239 1125071014 /nfs/dbraw/zinc/07/10/14/1125071014.db2.gz RACNDQCZVJOAPE-UHFFFAOYSA-N -1 0 329.780 3.602 20 0 EHADRM C[C@@H](NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])c1ccccc1 ZINC000618489439 1125095679 /nfs/dbraw/zinc/09/56/79/1125095679.db2.gz FDBCBBOVEZBAKO-GFCCVEGCSA-N -1 0 341.798 3.722 20 0 EHADRM COc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])cc1 ZINC000262251081 1125416796 /nfs/dbraw/zinc/41/67/96/1125416796.db2.gz WWIUQONQFSNPBG-HUUCEWRRSA-N -1 0 341.363 3.537 20 0 EHADRM CN(Cc1ccc(Cl)cc1Cl)C(=O)CC1(C(=O)[O-])CCCC1 ZINC000314230929 1129245378 /nfs/dbraw/zinc/24/53/78/1129245378.db2.gz CHYPBBOZYMSODH-UHFFFAOYSA-N -1 0 344.238 3.987 20 0 EHADRM CCc1noc(C)c1CSc1n[n-]c(=NC2CCCCC2)s1 ZINC000466143627 1129255155 /nfs/dbraw/zinc/25/51/55/1129255155.db2.gz KCVPEPDAAMKAAH-UHFFFAOYSA-N -1 0 338.502 3.856 20 0 EHADRM C[C@H]1C[C@@H](C(=O)Nc2cc(Br)cc(Cl)c2[O-])CCO1 ZINC000272118542 1129423422 /nfs/dbraw/zinc/42/34/22/1129423422.db2.gz ZBCGETSPKAVOBR-YUMQZZPRSA-N -1 0 348.624 3.562 20 0 EHADRM CCc1ccc(S(=O)(=O)C2=C([O-])c3ccccc3CCC2)cc1 ZINC000673451713 1129429962 /nfs/dbraw/zinc/42/99/62/1129429962.db2.gz ATRKLDYFMLWRDX-SFHVURJKSA-N -1 0 328.433 3.611 20 0 EHADRM COCCc1nsc([N-]c2cnn(-c3ccc(Cl)cc3)c2C)n1 ZINC000673520556 1129481851 /nfs/dbraw/zinc/48/18/51/1129481851.db2.gz JLWJOEHLUQXYMW-UHFFFAOYSA-N -1 0 349.847 3.618 20 0 EHADRM CCC(C)(C)NC(=O)[C@H](OC(=O)c1ccc([O-])c(Cl)c1)C(C)C ZINC000922498649 1129552286 /nfs/dbraw/zinc/55/22/86/1129552286.db2.gz XGJYZMLAUCYFSS-CQSZACIVSA-N -1 0 341.835 3.532 20 0 EHADRM FC(F)(F)CN=c1[n-]nc(SC[C@H]2CCCC(F)(F)C2)s1 ZINC000509070812 1129717993 /nfs/dbraw/zinc/71/79/93/1129717993.db2.gz WVTNWEFYELFMDC-ZETCQYMHSA-N -1 0 347.378 3.852 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1)c1cccc2c1OCO2 ZINC000509101315 1129747611 /nfs/dbraw/zinc/74/76/11/1129747611.db2.gz YDFKBFJLPZBVMN-UHFFFAOYSA-N -1 0 346.191 3.523 20 0 EHADRM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1c([O-])cc(F)cc1F ZINC000673756048 1129831407 /nfs/dbraw/zinc/83/14/07/1129831407.db2.gz IVMXHPFLBICALN-GXTWGEPZSA-N -1 0 331.362 3.764 20 0 EHADRM COc1ccccc1[C@H](CC(C)C)NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000673790211 1129845994 /nfs/dbraw/zinc/84/59/94/1129845994.db2.gz CGXUEEJPDMPBSU-VYDXJSESSA-N -1 0 345.439 3.566 20 0 EHADRM C[C@H](NC(=O)C[C@@H](C(=O)[O-])c1ccccc1)[C@@H](C)c1ccccc1 ZINC000673790204 1129846087 /nfs/dbraw/zinc/84/60/87/1129846087.db2.gz CBBBOICKLRRDAI-RVKKMQEKSA-N -1 0 325.408 3.553 20 0 EHADRM COc1ccccc1[C@H](CC(C)C)NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000673790212 1129846107 /nfs/dbraw/zinc/84/61/07/1129846107.db2.gz CGXUEEJPDMPBSU-ZOBUZTSGSA-N -1 0 345.439 3.566 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(F)cnc2Br)c(F)c1F ZINC001212511163 1129877764 /nfs/dbraw/zinc/87/77/64/1129877764.db2.gz VHLCIHJEXAQVIC-UHFFFAOYSA-N -1 0 347.090 3.703 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000673885354 1129895551 /nfs/dbraw/zinc/89/55/51/1129895551.db2.gz WBXRQVKVKKXNED-UHFFFAOYSA-N -1 0 347.362 3.661 20 0 EHADRM O=C([O-])c1ccc(Nc2cncc(N3CCCCC3)c2)c(F)c1F ZINC001212512244 1129920298 /nfs/dbraw/zinc/92/02/98/1129920298.db2.gz CYZYIKAWJVKRRB-UHFFFAOYSA-N -1 0 333.338 3.792 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(C(F)(F)F)cnc2F)c(F)c1F ZINC001212512531 1129921135 /nfs/dbraw/zinc/92/11/35/1129921135.db2.gz QFNWJHPDQGNCFY-UHFFFAOYSA-N -1 0 336.191 3.960 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)[C@H]1CCSc2ccccc21 ZINC000466623078 1129983874 /nfs/dbraw/zinc/98/38/74/1129983874.db2.gz MEJZZVPKLUDTEN-INIZCTEOSA-N -1 0 347.443 3.784 20 0 EHADRM C[C@H](C(=O)N=c1ccc(-c2ccccc2)n[n-]1)c1ccc(F)c(F)c1 ZINC000466626781 1129989366 /nfs/dbraw/zinc/98/93/66/1129989366.db2.gz GXCDMXHPSOTZNU-LBPRGKRZSA-N -1 0 339.345 3.586 20 0 EHADRM Cc1nc(CNC(=O)c2cc(Cl)c3ccccc3c2[O-])cs1 ZINC000674325215 1130064967 /nfs/dbraw/zinc/06/49/67/1130064967.db2.gz XGNWYFVEKGXDBP-UHFFFAOYSA-N -1 0 332.812 3.894 20 0 EHADRM O=C(c1c([O-])cc(Cl)cc1Cl)N1CCOc2ccccc2C1 ZINC000674323402 1130065530 /nfs/dbraw/zinc/06/55/30/1130065530.db2.gz CTMPMWWKPGNGAW-UHFFFAOYSA-N -1 0 338.190 3.734 20 0 EHADRM COCc1ccc(CN=c2[n-]nc(C(C)(C)c3ccccc3)s2)o1 ZINC000347894869 1130074344 /nfs/dbraw/zinc/07/43/44/1130074344.db2.gz LQKZBDOQYXQHIP-UHFFFAOYSA-N -1 0 343.452 3.637 20 0 EHADRM CC(C)(CNC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-])Cc1cccc(Cl)c1 ZINC000674901303 1130218487 /nfs/dbraw/zinc/21/84/87/1130218487.db2.gz GTOPQKHJXKYJFY-JKSUJKDBSA-N -1 0 349.858 3.692 20 0 EHADRM CCC[C@H](NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])c1ccc(F)cc1F ZINC000675149577 1130264816 /nfs/dbraw/zinc/26/48/16/1130264816.db2.gz OVTZYIBCNJQWDA-XEZPLFJOSA-N -1 0 337.366 3.589 20 0 EHADRM CN(C(=O)c1nn(-c2ccccc2F)cc1[O-])C1CCCCCC1 ZINC000675220218 1130286820 /nfs/dbraw/zinc/28/68/20/1130286820.db2.gz GYVIEKYJMIXOBZ-UHFFFAOYSA-N -1 0 331.391 3.512 20 0 EHADRM CCOc1cc(Cl)ccc1NC(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000675220746 1130287099 /nfs/dbraw/zinc/28/70/99/1130287099.db2.gz CPNGQSFCIVZLBK-CQSZACIVSA-N -1 0 347.798 3.936 20 0 EHADRM CCOc1c(F)cccc1Nc1ccc(S(=O)(=O)[O-])cc1Cl ZINC001212538085 1130328074 /nfs/dbraw/zinc/32/80/74/1130328074.db2.gz ZFLXBAIDMVUFDQ-UHFFFAOYSA-N -1 0 345.779 3.868 20 0 EHADRM C[C@@H](C[C@@H]1CCOC1)NC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000675415723 1130360955 /nfs/dbraw/zinc/36/09/55/1130360955.db2.gz IMOVXSNNXHCSKH-RYUDHWBXSA-N -1 0 333.815 3.744 20 0 EHADRM O=S(=O)([O-])c1ccc2c(cccc2Nc2cccc(O)c2F)c1 ZINC001212551506 1130366086 /nfs/dbraw/zinc/36/60/86/1130366086.db2.gz VYQSYOVJQSPIAA-UHFFFAOYSA-N -1 0 333.340 3.675 20 0 EHADRM CC(/C=C/c1nc2ccccc2c(=O)n1CC(=O)[O-])=C/c1ccccc1 ZINC000675724807 1130463038 /nfs/dbraw/zinc/46/30/38/1130463038.db2.gz NAGRUDSQKOHVNP-UDPMFAINSA-N -1 0 346.386 3.598 20 0 EHADRM COc1ccc2sc(C(=O)N(CCC(=O)[O-])CC3CC3)c(C)c2c1 ZINC000675971509 1130512308 /nfs/dbraw/zinc/51/23/08/1130512308.db2.gz YTSKWMUAPIPRRJ-UHFFFAOYSA-N -1 0 347.436 3.545 20 0 EHADRM O=C([O-])CN(C(=O)Cc1ccc2ccccc2c1)C1CCCCC1 ZINC000675993567 1130513642 /nfs/dbraw/zinc/51/36/42/1130513642.db2.gz NAZRTWAPSMKQGW-UHFFFAOYSA-N -1 0 325.408 3.628 20 0 EHADRM Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000676001474 1130516252 /nfs/dbraw/zinc/51/62/52/1130516252.db2.gz KKJVOHOLJLAKHD-UHFFFAOYSA-N -1 0 349.818 3.859 20 0 EHADRM C[C@H](C(=O)N1CCC[C@H](CC(=O)[O-])C1)c1ccccc1C(F)(F)F ZINC000676217905 1130546533 /nfs/dbraw/zinc/54/65/33/1130546533.db2.gz DUZOETZRSIQMSV-NWDGAFQWSA-N -1 0 343.345 3.522 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)C2(c3cccc(F)c3)CCCCC2)C1 ZINC000676218155 1130546900 /nfs/dbraw/zinc/54/69/00/1130546900.db2.gz INNRFLQKESTVFK-HNNXBMFYSA-N -1 0 347.430 3.741 20 0 EHADRM C[C@@H](C[N-]C(=O)C(F)(F)F)Sc1ccc(Br)cc1 ZINC000731654067 1130823594 /nfs/dbraw/zinc/82/35/94/1130823594.db2.gz HZTONKGIWCURGI-ZETCQYMHSA-N -1 0 342.180 3.608 20 0 EHADRM Cc1ccc([C@@H](C)N(C)C(=O)c2n[n-]c3ccccc3c2=O)c(C)c1 ZINC000732269958 1130907654 /nfs/dbraw/zinc/90/76/54/1130907654.db2.gz XICDHHYLDDQLDH-CQSZACIVSA-N -1 0 335.407 3.785 20 0 EHADRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)/C=C(\C)c1ccccc1Cl ZINC000732909257 1130969270 /nfs/dbraw/zinc/96/92/70/1130969270.db2.gz YAQQQVZVLGATLW-GMCKNXKJSA-N -1 0 343.876 3.626 20 0 EHADRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccccc1SC(C)C ZINC000732906205 1130969299 /nfs/dbraw/zinc/96/92/99/1130969299.db2.gz WCEZPKMLPXDUPL-CYBMUJFWSA-N -1 0 343.514 3.683 20 0 EHADRM Cc1nonc1C(=O)Nc1ncc(Cc2cccc(C)c2Cl)s1 ZINC000733914456 1131170940 /nfs/dbraw/zinc/17/09/40/1131170940.db2.gz LDEGHKYGQVZPOK-UHFFFAOYSA-N -1 0 348.815 3.639 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC2CCCC2)cc1 ZINC000734079211 1131194090 /nfs/dbraw/zinc/19/40/90/1131194090.db2.gz NPJLUFKOWDIORB-AWEZNQCLSA-N -1 0 337.485 3.660 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000734079607 1131194147 /nfs/dbraw/zinc/19/41/47/1131194147.db2.gz SCYKQYNTDYPCPU-OAHLLOKOSA-N -1 0 349.496 3.587 20 0 EHADRM C[C@H](NC(=O)CC1(C(=O)[O-])CCCCC1)c1nc2ccccc2s1 ZINC000734158936 1131204656 /nfs/dbraw/zinc/20/46/56/1131204656.db2.gz XDMMBSAYFNUOPB-LBPRGKRZSA-N -1 0 346.452 3.899 20 0 EHADRM CC[C@H](C)OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000738656479 1131477693 /nfs/dbraw/zinc/47/76/93/1131477693.db2.gz NXCXOSGAXMLRET-AWEZNQCLSA-N -1 0 347.436 3.751 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1 ZINC000737349614 1131493658 /nfs/dbraw/zinc/49/36/58/1131493658.db2.gz ZREZCPHYIXXAGP-HOCLYGCPSA-N -1 0 337.485 3.800 20 0 EHADRM Cc1noc2ncc(NS(=O)(=O)/C=C\c3ccc(Cl)cc3)cc12 ZINC000742230859 1131698635 /nfs/dbraw/zinc/69/86/35/1131698635.db2.gz BCOKSTHOHDUSKF-SREVYHEPSA-N -1 0 349.799 3.597 20 0 EHADRM Cc1nc(-c2ccc(CNc3ncccc3C(=O)[O-])s2)cs1 ZINC000743324455 1131894749 /nfs/dbraw/zinc/89/47/49/1131894749.db2.gz AWUNTGSZRAXVIH-UHFFFAOYSA-N -1 0 331.422 3.885 20 0 EHADRM CCCCCC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)CC ZINC000743752226 1131972658 /nfs/dbraw/zinc/97/26/58/1131972658.db2.gz YJZYOWFKASNPHI-AWEZNQCLSA-N -1 0 340.489 3.537 20 0 EHADRM CCCCCC[C@@](C)(CC)C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000744003269 1132006149 /nfs/dbraw/zinc/00/61/49/1132006149.db2.gz FQCJVTMEHUGMCT-QGZVFWFLSA-N -1 0 325.474 3.878 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](c2ccccc2)C(C)C)c(C)c1 ZINC000744004368 1132006696 /nfs/dbraw/zinc/00/66/96/1132006696.db2.gz XEHNZLFCPZSIOG-GOSISDBHSA-N -1 0 345.464 3.548 20 0 EHADRM C/C(=C/C(=O)[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C)C(C)(C)C ZINC000744013844 1132007310 /nfs/dbraw/zinc/00/73/10/1132007310.db2.gz YGWDYSYPLRHZQW-RAXLEYEMSA-N -1 0 337.485 3.718 20 0 EHADRM CCCCS(=O)(=O)[N-]C(=O)c1ccccc1Sc1ccccc1 ZINC000744008772 1132007559 /nfs/dbraw/zinc/00/75/59/1132007559.db2.gz BWOZHHYTKLYYJT-UHFFFAOYSA-N -1 0 349.477 3.698 20 0 EHADRM CCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000744014582 1132007618 /nfs/dbraw/zinc/00/76/18/1132007618.db2.gz YABYXVWYKQRYGH-AWEZNQCLSA-N -1 0 337.485 3.975 20 0 EHADRM CC(C)N(C)c1ccc(NC(=O)c2c([O-])cc(F)cc2F)cc1F ZINC000744326186 1132073062 /nfs/dbraw/zinc/07/30/62/1132073062.db2.gz BGNQEYMBPIRFSX-UHFFFAOYSA-N -1 0 338.329 3.906 20 0 EHADRM CCCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000745968043 1132340783 /nfs/dbraw/zinc/34/07/83/1132340783.db2.gz XJJCNSGRLNARCB-CQSZACIVSA-N -1 0 343.464 3.936 20 0 EHADRM CCCn1cc([N-]S(=O)(=O)c2ccc(C(C)(C)CC)cc2)cn1 ZINC000745979299 1132343390 /nfs/dbraw/zinc/34/33/90/1132343390.db2.gz LGNFBELSAGQLTG-UHFFFAOYSA-N -1 0 335.473 3.782 20 0 EHADRM CCCc1nnc([N-]S(=O)(=O)/C=C\c2ccc(Cl)cc2)s1 ZINC000752197756 1132343788 /nfs/dbraw/zinc/34/37/88/1132343788.db2.gz YUQWLINJRLEFGS-HJWRWDBZSA-N -1 0 343.861 3.557 20 0 EHADRM CC(C)(C)c1nnc2ccc(Nc3cccc(/C=C/C(=O)[O-])c3)cn21 ZINC001174495618 1132371717 /nfs/dbraw/zinc/37/17/17/1132371717.db2.gz RMOUSKXFMVULLX-JXMROGBWSA-N -1 0 336.395 3.868 20 0 EHADRM Cc1c(Br)c[nH]c(=O)c1Nc1cccc(C=CC(=O)[O-])c1 ZINC001174495650 1132371725 /nfs/dbraw/zinc/37/17/25/1132371725.db2.gz TVANUGCQNOJRRV-AATRIKPKSA-N -1 0 349.184 3.700 20 0 EHADRM COC(=O)c1cnc2ccc(Nc3cccc(/C=C/C(=O)[O-])c3)cc2c1 ZINC001174497556 1132373158 /nfs/dbraw/zinc/37/31/58/1132373158.db2.gz XSWNSAAXKHYVAJ-VMPITWQZSA-N -1 0 348.358 3.863 20 0 EHADRM COCCOc1c(F)cc(Nc2cccc(/C=C/C(=O)[O-])c2)cc1F ZINC001174497135 1132373786 /nfs/dbraw/zinc/37/37/86/1132373786.db2.gz GXZOVTLEAMFKHL-AATRIKPKSA-N -1 0 349.333 3.831 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2ccc(-c3cc(CO)on3)cc2)c1 ZINC001174499815 1132378558 /nfs/dbraw/zinc/37/85/58/1132378558.db2.gz YKQVGBVPJLLLGZ-RUDMXATFSA-N -1 0 336.347 3.675 20 0 EHADRM CC1(c2ccccc2)CC(NC(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000746230046 1132393185 /nfs/dbraw/zinc/39/31/85/1132393185.db2.gz VTKVTOJTUUFFQR-UHFFFAOYSA-N -1 0 338.432 3.967 20 0 EHADRM CC(C)(NC(=O)c1ccc2[n-]c(=S)oc2c1)c1cccc(F)c1 ZINC000746286189 1132398574 /nfs/dbraw/zinc/39/85/74/1132398574.db2.gz NQTSPDFGMJFFSQ-UHFFFAOYSA-N -1 0 330.384 3.921 20 0 EHADRM COc1cc(Nc2c(C)cnn2-c2ccc(C)cc2)ccc1C(=O)[O-] ZINC001174683482 1132436087 /nfs/dbraw/zinc/43/60/87/1132436087.db2.gz NAMOZUMBZHSBKG-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM CCc1cccc(S(=O)(=O)Nc2ccc(-n3cccn3)cc2C)c1 ZINC000190377334 1132453835 /nfs/dbraw/zinc/45/38/35/1132453835.db2.gz OROWGXKHIQDYIK-UHFFFAOYSA-N -1 0 341.436 3.544 20 0 EHADRM COc1cccc(C2(CNC(=O)CC(C)(C)CC(=O)[O-])CCCC2)c1 ZINC000192963587 1132478520 /nfs/dbraw/zinc/47/85/20/1132478520.db2.gz SCEHPURHVPSZJX-UHFFFAOYSA-N -1 0 347.455 3.514 20 0 EHADRM CN(c1ccc(C(=O)[O-])s1)c1c(N)cccc1Br ZINC001174808729 1132478851 /nfs/dbraw/zinc/47/88/51/1132478851.db2.gz YCNWYVOZUWOZFZ-UHFFFAOYSA-N -1 0 327.203 3.559 20 0 EHADRM COc1ccc2cc(C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)[nH]c2c1 ZINC000746352497 1132485902 /nfs/dbraw/zinc/48/59/02/1132485902.db2.gz MPXDJSYQBSMIHD-RUDMXATFSA-N -1 0 336.347 3.527 20 0 EHADRM CCOc1ccccc1CCNC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000194566914 1132490137 /nfs/dbraw/zinc/49/01/37/1132490137.db2.gz OVAYPUIEKGYTGG-UHFFFAOYSA-N -1 0 337.778 3.556 20 0 EHADRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)/C=C/c1ccccc1F ZINC000746375291 1132502037 /nfs/dbraw/zinc/50/20/37/1132502037.db2.gz BCJNQJYZNQAQFE-JXMROGBWSA-N -1 0 347.773 3.606 20 0 EHADRM CC(=O)c1cc(Cl)nc(Cl)c1Nc1ccc(CC(=O)[O-])cc1 ZINC001174947888 1132515472 /nfs/dbraw/zinc/51/54/72/1132515472.db2.gz SONXLMKUYHUBIQ-UHFFFAOYSA-N -1 0 339.178 3.962 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)C2(c3cccc(Cl)c3)CCC2)C1 ZINC000392013740 1132519679 /nfs/dbraw/zinc/51/96/79/1132519679.db2.gz PXAVQNDXLXDNSZ-AWEZNQCLSA-N -1 0 349.858 3.865 20 0 EHADRM COc1cccc(F)c1Nc1ccc(S(=O)(=O)[O-])c2ccccc12 ZINC001174994475 1132524439 /nfs/dbraw/zinc/52/44/39/1132524439.db2.gz RTJPARBKNNGBHS-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM COc1cc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)ccc1C ZINC001175017337 1132531123 /nfs/dbraw/zinc/53/11/23/1132531123.db2.gz JLDCAHAQWIIMOW-UHFFFAOYSA-N -1 0 327.789 3.647 20 0 EHADRM CCOc1cccc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)c1 ZINC001175093714 1132565614 /nfs/dbraw/zinc/56/56/14/1132565614.db2.gz XQZRTHKGLFLRKS-UHFFFAOYSA-N -1 0 327.789 3.729 20 0 EHADRM C[C@H]1CCc2c(sc(Nc3ccc(C(=O)[O-])c(F)c3)c2C(N)=O)C1 ZINC001175154324 1132568667 /nfs/dbraw/zinc/56/86/67/1132568667.db2.gz JQBXAFHKXNPIBH-QMMMGPOBSA-N -1 0 348.399 3.553 20 0 EHADRM CCN(CC)C(=O)c1ccccc1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175161642 1132581733 /nfs/dbraw/zinc/58/17/33/1132581733.db2.gz YTXHDNSTLPUJCU-UHFFFAOYSA-N -1 0 330.359 3.750 20 0 EHADRM COC(=O)c1cnc2ccc(Nc3ccc(F)c(C(=O)[O-])c3)cc2c1 ZINC001175222077 1132599608 /nfs/dbraw/zinc/59/96/08/1132599608.db2.gz RCYGOFSIHNASCU-UHFFFAOYSA-N -1 0 340.310 3.602 20 0 EHADRM Cc1c(Cl)cc(NC(=O)Cc2noc(C(C)C)n2)c([O-])c1Cl ZINC001175266823 1132622738 /nfs/dbraw/zinc/62/27/38/1132622738.db2.gz VETIIJCGTRAXTJ-UHFFFAOYSA-N -1 0 344.198 3.695 20 0 EHADRM Cc1cc(S(=O)(=O)[O-])c(Nc2c(F)ccc(O)c2F)cc1Cl ZINC001175268213 1132624168 /nfs/dbraw/zinc/62/41/68/1132624168.db2.gz KFGLRFPXYLVGON-UHFFFAOYSA-N -1 0 349.742 3.623 20 0 EHADRM Cc1cc(Nc2ccc(C(=O)[O-])c(Cl)c2)n(Cc2cccnc2)n1 ZINC001175313459 1132634828 /nfs/dbraw/zinc/63/48/28/1132634828.db2.gz DCUUKVLIPOKIOD-UHFFFAOYSA-N -1 0 342.786 3.730 20 0 EHADRM O=C([O-])c1ccc(Nc2nc(Br)ccc2O)cc1Cl ZINC001175313780 1132635199 /nfs/dbraw/zinc/63/51/99/1132635199.db2.gz LDMISIZRYQKJND-UHFFFAOYSA-N -1 0 343.564 3.645 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(N3CCCCC3)ncn2)cc1Cl ZINC001175316547 1132636040 /nfs/dbraw/zinc/63/60/40/1132636040.db2.gz WSWYAFURSQGYDP-UHFFFAOYSA-N -1 0 332.791 3.562 20 0 EHADRM O=C([O-])c1cccc(Nc2ccc3nnc(-c4ccccc4)n3c2)c1 ZINC001175328978 1132640466 /nfs/dbraw/zinc/64/04/66/1132640466.db2.gz PNDWBOKMBGYANG-UHFFFAOYSA-N -1 0 330.347 3.838 20 0 EHADRM Nc1cc(F)ccc1N(c1cccc(C(=O)[O-])c1)[C@H]1CC[C@H](O)CC1 ZINC001175335021 1132641884 /nfs/dbraw/zinc/64/18/84/1132641884.db2.gz PMGGPVJEEZMNGR-KOMQPUFPSA-N -1 0 344.386 3.548 20 0 EHADRM Cc1cc(S(=O)(=O)[O-])c(Nc2cnc3cccnc3c2)cc1Cl ZINC001175359747 1132649099 /nfs/dbraw/zinc/64/90/99/1132649099.db2.gz XOYUHGZBECUTME-UHFFFAOYSA-N -1 0 349.799 3.582 20 0 EHADRM COc1ncc([N-]c2nc3cc(Br)ccc3o2)s1 ZINC001175387543 1132657103 /nfs/dbraw/zinc/65/71/03/1132657103.db2.gz VZLMBHKBMRCWEK-UHFFFAOYSA-N -1 0 326.175 3.799 20 0 EHADRM CC(C)(C)OC(=O)N1CCC[C@@H]1c1cc([N-]c2cncs2)on1 ZINC001175497253 1132683406 /nfs/dbraw/zinc/68/34/06/1132683406.db2.gz RBLJYGXCSHYPLF-LLVKDONJSA-N -1 0 336.417 3.947 20 0 EHADRM Cc1ccc2n[nH]cc2c1Nc1ccc(S(=O)(=O)[O-])cc1Cl ZINC001175527608 1132700071 /nfs/dbraw/zinc/70/00/71/1132700071.db2.gz RFCYDQZXGRZOSV-UHFFFAOYSA-N -1 0 337.788 3.515 20 0 EHADRM Cc1cc(NCCc2ccc(OC(F)(F)F)cc2)cnc1C(=O)[O-] ZINC001169352673 1132739002 /nfs/dbraw/zinc/73/90/02/1132739002.db2.gz FUHFIWRFRSCENE-UHFFFAOYSA-N -1 0 340.301 3.641 20 0 EHADRM O=c1cc(CNc2ccc(-c3cc(Cl)ccc3Cl)nn2)o[n-]1 ZINC001169481058 1132764657 /nfs/dbraw/zinc/76/46/57/1132764657.db2.gz BATFXLTTWATVEJ-UHFFFAOYSA-N -1 0 337.166 3.756 20 0 EHADRM O=c1cc(CNc2ccc(F)c(C(F)(F)C(F)(F)F)c2)o[n-]1 ZINC001169493617 1132770243 /nfs/dbraw/zinc/77/02/43/1132770243.db2.gz ZCZUMGALWGSBCF-UHFFFAOYSA-N -1 0 326.196 3.786 20 0 EHADRM O=C([O-])c1cncc(Nc2ccc3cnn([C@H]4CCCCO4)c3c2)c1 ZINC001175841753 1132772845 /nfs/dbraw/zinc/77/28/45/1132772845.db2.gz VSMZMHWFQNCREW-QGZVFWFLSA-N -1 0 338.367 3.572 20 0 EHADRM O=C([O-])c1cncc(Nc2cccc3c(Br)ccnc23)c1 ZINC001175843470 1132773476 /nfs/dbraw/zinc/77/34/76/1132773476.db2.gz QJTWVOGPZASERD-UHFFFAOYSA-N -1 0 344.168 3.834 20 0 EHADRM CC(C)(C)OC(=O)c1ccc(Nc2cncc(C(=O)[O-])c2)cc1F ZINC001175842539 1132773611 /nfs/dbraw/zinc/77/36/11/1132773611.db2.gz LXJDRNAQUHHPOR-UHFFFAOYSA-N -1 0 332.331 3.618 20 0 EHADRM Nc1ccc(-c2nc3cc(Nc4cncc(C(=O)[O-])c4)ccc3o2)cc1 ZINC001175842541 1132773663 /nfs/dbraw/zinc/77/36/63/1132773663.db2.gz LZUGMSFUOKQDKR-UHFFFAOYSA-N -1 0 346.346 3.914 20 0 EHADRM CCOC(=O)c1c([N-]c2ccc(F)cn2)onc1-c1ccccc1 ZINC001175849850 1132783792 /nfs/dbraw/zinc/78/37/92/1132783792.db2.gz WSPNNXYWMFVXJY-UHFFFAOYSA-N -1 0 327.315 3.796 20 0 EHADRM COc1cc(Nc2cccc(CN3CCOCC3)c2)ccc1[S-] ZINC001175862540 1132786840 /nfs/dbraw/zinc/78/68/40/1132786840.db2.gz DVDUXCQXPLKMOP-UHFFFAOYSA-N -1 0 330.453 3.560 20 0 EHADRM COc1cccc(Nc2c(C)cc(C)cc2S(=O)(=O)[O-])c1Cl ZINC001175899051 1132792890 /nfs/dbraw/zinc/79/28/90/1132792890.db2.gz HWHMQAYKOIHVIT-UHFFFAOYSA-N -1 0 341.816 3.956 20 0 EHADRM COc1cccc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)c1Cl ZINC001175900525 1132793350 /nfs/dbraw/zinc/79/33/50/1132793350.db2.gz WEWGCIIJOBHDJW-UHFFFAOYSA-N -1 0 348.207 3.992 20 0 EHADRM COc1ccc(Nc2ccc(Br)cc2[S-])cc1CO ZINC001175987510 1132808380 /nfs/dbraw/zinc/80/83/80/1132808380.db2.gz VZKUIZZFNRURFO-UHFFFAOYSA-N -1 0 340.242 3.982 20 0 EHADRM Cc1cc(C)c(Nc2ccccc2OC(F)F)c(S(=O)(=O)[O-])c1 ZINC001176013439 1132819562 /nfs/dbraw/zinc/81/95/62/1132819562.db2.gz PCOYLJPZKDAGRB-UHFFFAOYSA-N -1 0 343.351 3.895 20 0 EHADRM COc1ccccc1[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000766860300 1132886539 /nfs/dbraw/zinc/88/65/39/1132886539.db2.gz KFZMXPBJMZQQBR-KGLIPLIRSA-N -1 0 345.782 3.789 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cc1 ZINC000766891348 1132910740 /nfs/dbraw/zinc/91/07/40/1132910740.db2.gz GFVNSDXFCFSWRS-UHFFFAOYSA-N -1 0 331.224 3.752 20 0 EHADRM O=c1cc(Nc2cccc3c2cnn3[C@@H]2CCCCO2)nc(Cl)[n-]1 ZINC001176314337 1132912310 /nfs/dbraw/zinc/91/23/10/1132912310.db2.gz MHGJGRPTULKCLW-HNNXBMFYSA-N -1 0 345.790 3.628 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1 ZINC000766912179 1132913410 /nfs/dbraw/zinc/91/34/10/1132913410.db2.gz JIDZNGDROMSHHB-NTMALXAHSA-N -1 0 347.411 3.891 20 0 EHADRM O=C([O-])c1cc(Nc2ccc3nc(-c4ccccc4)nn3c2)cs1 ZINC001176435445 1132927985 /nfs/dbraw/zinc/92/79/85/1132927985.db2.gz CRVHNISNWCBJJT-UHFFFAOYSA-N -1 0 336.376 3.900 20 0 EHADRM Nc1cc2c(ccn2-c2csc(C(=O)[O-])c2)c(Br)c1 ZINC001176440622 1132930172 /nfs/dbraw/zinc/93/01/72/1132930172.db2.gz KLUYQSAMJWBTCR-UHFFFAOYSA-N -1 0 337.198 3.735 20 0 EHADRM Nc1cccc2c(Br)cn(-c3csc(C(=O)[O-])c3)c21 ZINC001176443006 1132930949 /nfs/dbraw/zinc/93/09/49/1132930949.db2.gz GFJVZOSVLUJYLH-UHFFFAOYSA-N -1 0 337.198 3.735 20 0 EHADRM CC(C)(C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1)c1ccccc1F ZINC000767089488 1132947932 /nfs/dbraw/zinc/94/79/32/1132947932.db2.gz XHAMZDUAXAAXGI-XFXZXTDPSA-N -1 0 327.355 3.840 20 0 EHADRM O=C([O-])CNC(=O)c1ccc(Nc2ccc(Cl)c(Cl)c2)cc1 ZINC001176542817 1132948447 /nfs/dbraw/zinc/94/84/47/1132948447.db2.gz ONPXQTRTMDAQBN-UHFFFAOYSA-N -1 0 339.178 3.551 20 0 EHADRM COC(=O)c1cc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c(F)cc1F ZINC001176589612 1132962754 /nfs/dbraw/zinc/96/27/54/1132962754.db2.gz ILACASBRJIJYHV-UHFFFAOYSA-N -1 0 347.317 3.611 20 0 EHADRM CO[C@H]1CCOc2c(Nc3ccc(/C=C/C(=O)[O-])cc3)cccc21 ZINC001176596352 1132964343 /nfs/dbraw/zinc/96/43/43/1132964343.db2.gz BJMQSNPOUIEUED-JEJOPICUSA-N -1 0 325.364 3.998 20 0 EHADRM O=C([O-])c1ccc(Nc2cnc(Cl)c(Br)c2)cc1 ZINC001176706915 1132994496 /nfs/dbraw/zinc/99/44/96/1132994496.db2.gz BAYLFRUKMVQYQH-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM O=C(NCc1cc(C2CC2)no1)c1cc(Cl)c2ccccc2c1[O-] ZINC001177399147 1133062168 /nfs/dbraw/zinc/06/21/68/1133062168.db2.gz OFPQMCQXCDELNH-UHFFFAOYSA-N -1 0 342.782 3.994 20 0 EHADRM Cc1oc2ccccc2c1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000767955113 1133077045 /nfs/dbraw/zinc/07/70/45/1133077045.db2.gz KKHRPOGBBUGBKF-UHFFFAOYSA-N -1 0 349.795 3.513 20 0 EHADRM COc1ccc(F)cc1[N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000768283319 1133121241 /nfs/dbraw/zinc/12/12/41/1133121241.db2.gz OQYWFMSQDKVVCS-CMDGGOBGSA-N -1 0 341.791 3.900 20 0 EHADRM COc1ccccc1C(C)=CC(=O)Nc1cc(C(C)=O)cc(F)c1[O-] ZINC001178433992 1133163522 /nfs/dbraw/zinc/16/35/22/1133163522.db2.gz ZXSBTBLPSAFICD-DHZHZOJOSA-N -1 0 343.354 3.785 20 0 EHADRM CC(C)c1ccc(C(=O)N=[S@](C)(=O)c2ccc(F)cc2)c([O-])c1 ZINC001178480514 1133172243 /nfs/dbraw/zinc/17/22/43/1133172243.db2.gz IQWZCGQXDSYSHQ-HSZRJFAPSA-N -1 0 335.400 3.952 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1ccc(C(F)(F)F)cn1 ZINC000769245155 1133250755 /nfs/dbraw/zinc/25/07/55/1133250755.db2.gz CRLJBWOABIHSCA-UHFFFAOYSA-N -1 0 339.298 3.783 20 0 EHADRM O=C(CCc1nc2ccccc2o1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000769248081 1133251575 /nfs/dbraw/zinc/25/15/75/1133251575.db2.gz FQUBDZZPBHPRID-UHFFFAOYSA-N -1 0 339.376 3.829 20 0 EHADRM O=C(N[C@H]1CCOC12CCCC2)c1cc(Cl)cc(Cl)c1[O-] ZINC001180189328 1133335998 /nfs/dbraw/zinc/33/59/98/1133335998.db2.gz NCYJRAVXYUUQAJ-LBPRGKRZSA-N -1 0 330.211 3.531 20 0 EHADRM O=C(Nc1ccccc1[S-])[C@@H]1CCCN1C(=O)Oc1ccccc1 ZINC001180334824 1133362836 /nfs/dbraw/zinc/36/28/36/1133362836.db2.gz DHRYPSHCIOEHIK-HNNXBMFYSA-N -1 0 342.420 3.577 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc(F)c2N2CCCCC2)CCCCC1 ZINC001180436685 1133369864 /nfs/dbraw/zinc/36/98/64/1133369864.db2.gz RDVBSIGPVPAACQ-UHFFFAOYSA-N -1 0 348.418 3.790 20 0 EHADRM O=C([O-])C1(C(=O)NC2CCC(c3ccccc3)CC2)CCCCC1 ZINC001180438089 1133370962 /nfs/dbraw/zinc/37/09/62/1133370962.db2.gz AVONZECGRBNZSO-UHFFFAOYSA-N -1 0 329.440 3.864 20 0 EHADRM O=C(CCc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001180965155 1133436772 /nfs/dbraw/zinc/43/67/72/1133436772.db2.gz FRMRKOMXHRKDON-UHFFFAOYSA-N -1 0 337.297 3.551 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(SC(F)F)nc2)c1 ZINC000771131667 1133515257 /nfs/dbraw/zinc/51/52/57/1133515257.db2.gz RBKCICUZBUVYNQ-UHFFFAOYSA-N -1 0 344.408 3.814 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(SC(F)F)nc2)c(F)c1 ZINC000771133811 1133515959 /nfs/dbraw/zinc/51/59/59/1133515959.db2.gz DKJXLZXVAOOJEZ-UHFFFAOYSA-N -1 0 348.371 3.645 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)[C@@H]2CCCC2(C)C)c1C ZINC000773942806 1133522011 /nfs/dbraw/zinc/52/20/11/1133522011.db2.gz GPOXNPQRUKZFDX-HNNXBMFYSA-N -1 0 337.485 3.551 20 0 EHADRM Cc1[nH]nc(NC(=O)c2cc(C)cc(C=O)c2[O-])c1-c1cccc(C)c1 ZINC001182000593 1133560646 /nfs/dbraw/zinc/56/06/46/1133560646.db2.gz HEVPWQRKUFVWIG-UHFFFAOYSA-N -1 0 349.390 3.772 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1ccc(-n2cccc2)nc1 ZINC000771506555 1133568407 /nfs/dbraw/zinc/56/84/07/1133568407.db2.gz VXWLYDZSTMZHOC-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM O=C(Nc1cnn(-c2ccccc2Cl)c1)c1c([O-])cccc1F ZINC000772038603 1133631557 /nfs/dbraw/zinc/63/15/57/1133631557.db2.gz SIZZFEXFOUJOGY-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM CC(C)[C@@]1(C)C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000774237870 1133639511 /nfs/dbraw/zinc/63/95/11/1133639511.db2.gz ZCVFSNQIGHZPPK-MEDUHNTESA-N -1 0 343.514 3.533 20 0 EHADRM Cc1cc(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)ccc1Cl ZINC001182616085 1133712006 /nfs/dbraw/zinc/71/20/06/1133712006.db2.gz LJVUGLVBDOVWAD-FZMZJTMJSA-N -1 0 348.796 3.680 20 0 EHADRM Cc1cccc2c(CCNC(=O)c3cc(F)cc(Cl)c3[O-])c[nH]c21 ZINC001182768258 1133730771 /nfs/dbraw/zinc/73/07/71/1133730771.db2.gz IUTYOVCQPGSBFP-UHFFFAOYSA-N -1 0 346.789 3.947 20 0 EHADRM O=C([O-])/C=C\c1cnc(/C=C\c2c(C3CC3)nc3sccn23)s1 ZINC000774554572 1133741093 /nfs/dbraw/zinc/74/10/93/1133741093.db2.gz AFPWEIUHKZFVNH-QXYVOPKASA-N -1 0 343.433 3.998 20 0 EHADRM CCCC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000786277401 1133826362 /nfs/dbraw/zinc/82/63/62/1133826362.db2.gz FFQXPMJISNZHCN-UHFFFAOYSA-N -1 0 337.485 3.587 20 0 EHADRM O=C(Nc1ccc([C@H]2CCOC2)cc1)c1cc(F)cc(Cl)c1[O-] ZINC001183609537 1133827923 /nfs/dbraw/zinc/82/79/23/1133827923.db2.gz BNVVTCNNJDYHPT-NSHDSACASA-N -1 0 335.762 3.941 20 0 EHADRM CCCC(C)(C)CC(=O)[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC000786479523 1133853779 /nfs/dbraw/zinc/85/37/79/1133853779.db2.gz RKAIBGGLGGKXLX-UHFFFAOYSA-N -1 0 331.865 3.670 20 0 EHADRM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cc(Cl)cc(Br)c1[O-] ZINC001183923409 1133879243 /nfs/dbraw/zinc/87/92/43/1133879243.db2.gz BLCQGGYNBNMYSL-NQMVMOMDSA-N -1 0 344.636 3.727 20 0 EHADRM O=C(Nc1ccc(F)c(Br)c1[O-])C1=Cc2ccccc2C1 ZINC001183978147 1133884821 /nfs/dbraw/zinc/88/48/21/1133884821.db2.gz CYFXDCZQNOQONY-UHFFFAOYSA-N -1 0 348.171 3.872 20 0 EHADRM O=C(NC[C@@H]1CC=CC[C@H]1C(F)(F)F)c1c([O-])cc(F)cc1F ZINC001184152238 1133898951 /nfs/dbraw/zinc/89/89/51/1133898951.db2.gz DLFQWTFZGOPLOT-WCBMZHEXSA-N -1 0 335.272 3.545 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2c(C)cccc2C2CC2)cc1C(=O)[O-] ZINC001184704499 1133977976 /nfs/dbraw/zinc/97/79/76/1133977976.db2.gz YZRFZMXHENBSLZ-UHFFFAOYSA-N -1 0 345.420 3.680 20 0 EHADRM CC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1 ZINC001185497129 1134099284 /nfs/dbraw/zinc/09/92/84/1134099284.db2.gz RFUOTBYJDFIURN-UHFFFAOYSA-N -1 0 329.830 3.713 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)nc2)c(C)cc1Cl ZINC001185679619 1134124400 /nfs/dbraw/zinc/12/44/00/1134124400.db2.gz SZDXORKXLQKERP-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM Cc1cc(CC(C)C)ncc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC001185801539 1134135866 /nfs/dbraw/zinc/13/58/66/1134135866.db2.gz LYQGUKZVYUCLQI-UHFFFAOYSA-N -1 0 336.432 3.837 20 0 EHADRM COc1cc2c(cc1NC(=O)C1CC(C(=O)[O-])C1)oc1ccccc12 ZINC000788714786 1134161716 /nfs/dbraw/zinc/16/17/16/1134161716.db2.gz KCPVZXZYSXQUQZ-UHFFFAOYSA-N -1 0 339.347 3.644 20 0 EHADRM O=C(Cc1cccc(Cl)c1Cl)NOCc1ccc(F)cc1 ZINC000788769445 1134166792 /nfs/dbraw/zinc/16/67/92/1134166792.db2.gz RZYFFJIOMDPIOV-UHFFFAOYSA-N -1 0 328.170 3.923 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccnn2C2CCCC2)sc1Cl ZINC000788748413 1134169770 /nfs/dbraw/zinc/16/97/70/1134169770.db2.gz RKCDVQBKEQDNOC-UHFFFAOYSA-N -1 0 345.877 3.822 20 0 EHADRM O=C(Nc1nc(Cl)c(Cl)nc1Cl)c1cccc([S-])c1 ZINC001186130300 1134172118 /nfs/dbraw/zinc/17/21/18/1134172118.db2.gz MCOSJDNYTFQFSP-UHFFFAOYSA-N -1 0 334.615 3.978 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2csc3ccccc32)ccc1CO ZINC001186497716 1134222324 /nfs/dbraw/zinc/22/23/24/1134222324.db2.gz DTBSCJNUZYOOSO-UHFFFAOYSA-N -1 0 333.434 3.503 20 0 EHADRM O=S(=O)([N-]c1ncccc1C1CC1)c1csc2ccccc21 ZINC001186464043 1134225218 /nfs/dbraw/zinc/22/52/18/1134225218.db2.gz KSTRGVIIFBZMPC-UHFFFAOYSA-N -1 0 330.434 3.975 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)[C@H]1CCCCC1(C)C ZINC000789463317 1134279520 /nfs/dbraw/zinc/27/95/20/1134279520.db2.gz LOOHQIDAVHTESJ-GFCCVEGCSA-N -1 0 343.876 3.670 20 0 EHADRM Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187181205 1134306609 /nfs/dbraw/zinc/30/66/09/1134306609.db2.gz OOBINQRGKONWHW-UHFFFAOYSA-N -1 0 342.873 3.785 20 0 EHADRM O=S(=O)([N-]c1cccc2cnccc21)c1cc2c(s1)CCCC2 ZINC001187173607 1134310768 /nfs/dbraw/zinc/31/07/68/1134310768.db2.gz HHFLZOWJBHSEHE-UHFFFAOYSA-N -1 0 344.461 3.976 20 0 EHADRM COCc1cccc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)c1 ZINC001187208438 1134314609 /nfs/dbraw/zinc/31/46/09/1134314609.db2.gz AZBPCMMPHCTRIZ-UHFFFAOYSA-N -1 0 337.466 3.574 20 0 EHADRM O=S(=O)([N-]c1cc(F)cc(F)c1F)c1cc2c(s1)CCCC2 ZINC001187209059 1134314838 /nfs/dbraw/zinc/31/48/38/1134314838.db2.gz JHSYWHUHYGAEQW-UHFFFAOYSA-N -1 0 347.383 3.845 20 0 EHADRM COc1cc(C)cc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)c1 ZINC001187209422 1134315163 /nfs/dbraw/zinc/31/51/63/1134315163.db2.gz MVNFGOWMKSWXKC-UHFFFAOYSA-N -1 0 337.466 3.745 20 0 EHADRM CCCCN(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)c1ccccc1 ZINC000789975809 1134354268 /nfs/dbraw/zinc/35/42/68/1134354268.db2.gz MZMCDYHKEOGAMC-AWEZNQCLSA-N -1 0 344.377 3.523 20 0 EHADRM O=S(=O)([N-]c1ccccc1OC1CCCCC1)c1nccs1 ZINC001187894364 1134393722 /nfs/dbraw/zinc/39/37/22/1134393722.db2.gz JAADWNFUSGDZGK-UHFFFAOYSA-N -1 0 338.454 3.655 20 0 EHADRM O=S(=O)([N-]c1ccccc1)c1cnc(Cl)c(C(F)(F)F)c1 ZINC001188206387 1134441914 /nfs/dbraw/zinc/44/19/14/1134441914.db2.gz LWIMNQYFDOLOCQ-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM O=S(=O)(Nc1cccc(O)c1)c1ccc(-c2ccc(F)cc2)cc1 ZINC001188420574 1134460953 /nfs/dbraw/zinc/46/09/53/1134460953.db2.gz XKZDYLBHRMJOML-UHFFFAOYSA-N -1 0 343.379 3.999 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2ccoc2)cc1Br ZINC001188614034 1134482313 /nfs/dbraw/zinc/48/23/13/1134482313.db2.gz DEMFVZZFXUWBPP-UHFFFAOYSA-N -1 0 348.243 3.565 20 0 EHADRM O=C(c1ccc([O-])c(C(F)(F)F)c1)N1CCC[C@H]1c1nccs1 ZINC001188577286 1134483624 /nfs/dbraw/zinc/48/36/24/1134483624.db2.gz POSJFAUQVOWUGZ-NSHDSACASA-N -1 0 342.342 3.845 20 0 EHADRM CN(Cc1ccc(F)cc1F)C(=O)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188587457 1134485363 /nfs/dbraw/zinc/48/53/63/1134485363.db2.gz VMQWUJOSEJKCLL-UHFFFAOYSA-N -1 0 345.267 3.961 20 0 EHADRM O=C(Nc1ccc(F)c(O)c1)c1nc(Cl)ccc1C(F)(F)F ZINC001188766094 1134506263 /nfs/dbraw/zinc/50/62/63/1134506263.db2.gz MVEAZWJJAVMKDI-UHFFFAOYSA-N -1 0 334.656 3.851 20 0 EHADRM COc1ccc(NC(=O)Nc2ccc([S-])c(OC)c2)cc1OC ZINC001188802309 1134510820 /nfs/dbraw/zinc/51/08/20/1134510820.db2.gz MZYYYFNBNCKUIF-UHFFFAOYSA-N -1 0 334.397 3.645 20 0 EHADRM O=S(=O)(CCc1ccc(Cl)cc1)Nc1cc(F)c(F)c(F)c1 ZINC001189104550 1134544826 /nfs/dbraw/zinc/54/48/26/1134544826.db2.gz WETAAGRJAZSLCS-UHFFFAOYSA-N -1 0 349.761 3.742 20 0 EHADRM COCc1ccc(C(=O)[N-]c2c(SC)cc(C)nc2SC)o1 ZINC001189255342 1134558825 /nfs/dbraw/zinc/55/88/25/1134558825.db2.gz VTPAIMOJLFIZQV-UHFFFAOYSA-N -1 0 338.454 3.826 20 0 EHADRM Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(F)c3ccccc32)c1 ZINC001189385118 1134577783 /nfs/dbraw/zinc/57/77/83/1134577783.db2.gz GNBAQJVWHDNICH-UHFFFAOYSA-N -1 0 331.368 3.794 20 0 EHADRM O=S(=O)([N-]c1cc(F)ccc1O)c1ccc(F)c2ccccc21 ZINC001189387985 1134578454 /nfs/dbraw/zinc/57/84/54/1134578454.db2.gz DXTLOIWVIVIZQX-UHFFFAOYSA-N -1 0 335.331 3.624 20 0 EHADRM Cc1cc(NS(=O)(=O)Cc2cccc(F)c2F)nc2ccccc12 ZINC001189419890 1134584725 /nfs/dbraw/zinc/58/47/25/1134584725.db2.gz JLYNZGNSESSBSP-UHFFFAOYSA-N -1 0 348.374 3.763 20 0 EHADRM Cc1c(Cl)cc(NC(=O)c2cc(C3CC3)nn2C)c([O-])c1Cl ZINC001189414761 1134584921 /nfs/dbraw/zinc/58/49/21/1134584921.db2.gz NNVKEODGNXOGKG-UHFFFAOYSA-N -1 0 340.210 3.871 20 0 EHADRM Cn1nc(C2CC2)cc1C(=O)Nc1c(Cl)ccc([O-])c1Cl ZINC001189414838 1134585036 /nfs/dbraw/zinc/58/50/36/1134585036.db2.gz QMBIBPDQMQUKEW-UHFFFAOYSA-N -1 0 326.183 3.562 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cncc(C(C)C)c2)c1 ZINC001189586766 1134604035 /nfs/dbraw/zinc/60/40/35/1134604035.db2.gz JITLVYHPUHJZRH-UHFFFAOYSA-N -1 0 340.832 3.668 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3occc3c2)c1 ZINC001189609529 1134606189 /nfs/dbraw/zinc/60/61/89/1134606189.db2.gz ORZRNSXXFWBKRR-UHFFFAOYSA-N -1 0 337.784 3.896 20 0 EHADRM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3cc[nH]c32)c1 ZINC000775296902 1134617719 /nfs/dbraw/zinc/61/77/19/1134617719.db2.gz FFUHNDAEMSBJEC-UHFFFAOYSA-N -1 0 348.811 3.825 20 0 EHADRM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1)C(F)(F)F ZINC001189741463 1134619376 /nfs/dbraw/zinc/61/93/76/1134619376.db2.gz VZQIUIZZBOXZDY-WRWORJQWSA-N -1 0 347.761 3.734 20 0 EHADRM CN(C[C@H]1CC1(C)C)C(=O)c1cc(Br)ccc1[S-] ZINC001189950431 1134640803 /nfs/dbraw/zinc/64/08/03/1134640803.db2.gz KPTHMFPLWZZHNE-SECBINFHSA-N -1 0 328.275 3.856 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-]C(=O)c2sccc2C2CC2)c(C)c1 ZINC000792055427 1134646128 /nfs/dbraw/zinc/64/61/28/1134646128.db2.gz KDAUQVPQNRDEOQ-UHFFFAOYSA-N -1 0 349.477 3.502 20 0 EHADRM Cc1cc(Nc2ccc(C(=O)[O-])cc2F)cc(Br)n1 ZINC001203286864 1134652952 /nfs/dbraw/zinc/65/29/52/1134652952.db2.gz VFPALBUSDPPJTF-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM Cc1cccc(CNC(=O)Nc2c(Cl)c(F)[n-]c(=O)c2Cl)c1 ZINC001190969585 1134772850 /nfs/dbraw/zinc/77/28/50/1134772850.db2.gz YDHHSAJCOBYAMW-UHFFFAOYSA-N -1 0 344.173 3.863 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cccc(C(C)C)n2)c1 ZINC001191151323 1134803568 /nfs/dbraw/zinc/80/35/68/1134803568.db2.gz LVMHKEIBHGQBMT-UHFFFAOYSA-N -1 0 341.436 3.862 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2c(C)ccnc2OC)cc1 ZINC001191225044 1134830502 /nfs/dbraw/zinc/83/05/02/1134830502.db2.gz PJHMJUTXOIKVIK-UHFFFAOYSA-N -1 0 334.441 3.542 20 0 EHADRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccccc1N(C)C ZINC001191695336 1134908687 /nfs/dbraw/zinc/90/86/87/1134908687.db2.gz PSGJYLRRABQQAS-UHFFFAOYSA-N -1 0 348.468 3.685 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(Cl)ncc1C ZINC001191787614 1134922330 /nfs/dbraw/zinc/92/23/30/1134922330.db2.gz CYLYFVUGNSKWAW-UHFFFAOYSA-N -1 0 340.832 3.551 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(SC)cc1 ZINC001191821512 1134930072 /nfs/dbraw/zinc/93/00/72/1134930072.db2.gz RMEBAEJRPQXIIW-UHFFFAOYSA-N -1 0 337.466 3.916 20 0 EHADRM O=S(=O)(Cc1ccc(Cl)cc1F)[N-]c1scnc1C1CC1 ZINC001191875500 1134939115 /nfs/dbraw/zinc/93/91/15/1134939115.db2.gz ZBFHILSKUQEJMK-UHFFFAOYSA-N -1 0 346.836 3.755 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2ccc3cc(OC)ccc3c2)cn1 ZINC001191940007 1134944245 /nfs/dbraw/zinc/94/42/45/1134944245.db2.gz HKZDXJAVYJBYEB-UHFFFAOYSA-N -1 0 342.420 3.607 20 0 EHADRM COc1ccc2cc(S(=O)(=O)Nc3ccc([S-])cc3)ccc2c1 ZINC001191966305 1134952247 /nfs/dbraw/zinc/95/22/47/1134952247.db2.gz NBVFEOKMIOQRQV-UHFFFAOYSA-N -1 0 345.445 3.938 20 0 EHADRM O=S(=O)([N-]c1c(F)cccc1Cl)C(Cl)(Cl)Cl ZINC001192032329 1134958090 /nfs/dbraw/zinc/95/80/90/1134958090.db2.gz QIIURYIXXHUDSR-UHFFFAOYSA-N -1 0 326.991 3.549 20 0 EHADRM Cc1cc(F)cc(Cl)c1[N-]S(=O)(=O)C(Cl)(Cl)Cl ZINC001192035019 1134958303 /nfs/dbraw/zinc/95/83/03/1134958303.db2.gz MQLGBRPADAHMRN-UHFFFAOYSA-N -1 0 341.018 3.857 20 0 EHADRM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cnc(Cl)cc1C ZINC001192304121 1135002594 /nfs/dbraw/zinc/00/25/94/1135002594.db2.gz OXKZZASWUBKKBE-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM Cc1ccnc2cc([N-]S(=O)(=O)c3cnc(Cl)cc3C)ccc12 ZINC001192358077 1135005111 /nfs/dbraw/zinc/00/51/11/1135005111.db2.gz VJMQNRZTOGRGKC-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM CC1(C)CC(=O)Nc2cc(Nc3ccc(C(=O)[O-])cc3F)ccc21 ZINC001203293394 1135012575 /nfs/dbraw/zinc/01/25/75/1135012575.db2.gz KRJLILUEMYQHDP-UHFFFAOYSA-N -1 0 328.343 3.887 20 0 EHADRM COCc1cc(NC(=O)/C=C/c2ccccc2Cl)cc(C(=O)[O-])c1 ZINC000794003170 1135012866 /nfs/dbraw/zinc/01/28/66/1135012866.db2.gz PSRTYDUFKHTIAH-VOTSOKGWSA-N -1 0 345.782 3.837 20 0 EHADRM O=C(Nc1c(Cl)ccc([O-])c1Cl)c1c(F)ccc(O)c1F ZINC001192540486 1135032907 /nfs/dbraw/zinc/03/29/07/1135032907.db2.gz NEWGHWHIQQXUQY-UHFFFAOYSA-N -1 0 334.105 3.935 20 0 EHADRM Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1cccc(Cl)c1[O-] ZINC000794208592 1135033286 /nfs/dbraw/zinc/03/32/86/1135033286.db2.gz UQJZSAQUGQMGAW-UHFFFAOYSA-N -1 0 327.771 3.996 20 0 EHADRM CCC[C@@H]([NH2+]CC(=O)[N-]OCc1ccccc1)c1ccc(F)cc1F ZINC000775543178 1135046195 /nfs/dbraw/zinc/04/61/95/1135046195.db2.gz SFUMFDOSTKGBCI-GOSISDBHSA-N -1 0 348.393 3.644 20 0 EHADRM O=C(c1c(F)ccc(F)c1[O-])N1CCC[C@H]1c1ccc(F)cc1F ZINC001192705599 1135049463 /nfs/dbraw/zinc/04/94/63/1135049463.db2.gz BFDLNBYABAYYKX-AWEZNQCLSA-N -1 0 339.288 3.926 20 0 EHADRM O=C(Nc1ccc(C2CCOCC2)cc1)c1ccc(F)c(F)c1[O-] ZINC001192809993 1135057321 /nfs/dbraw/zinc/05/73/21/1135057321.db2.gz BONMYBXCQYZWRG-UHFFFAOYSA-N -1 0 333.334 3.817 20 0 EHADRM CC(C)(C)OC(=O)c1ccccc1NC(=O)c1ccc([O-])c(F)c1F ZINC001192840775 1135064445 /nfs/dbraw/zinc/06/44/45/1135064445.db2.gz AWCOOCDDDZIASP-UHFFFAOYSA-N -1 0 349.333 3.878 20 0 EHADRM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1cnccc1Cl ZINC001192897765 1135069738 /nfs/dbraw/zinc/06/97/38/1135069738.db2.gz WIXYVDOJJQMCLM-UHFFFAOYSA-N -1 0 338.860 3.969 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2cccnc2)cc1)c1cnccc1Cl ZINC001192893709 1135069828 /nfs/dbraw/zinc/06/98/28/1135069828.db2.gz GIDCNIGIRPKFHO-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM O=C(NCc1cc2cc(Cl)ccc2[nH]1)c1cc(F)c([O-])cc1F ZINC001192879880 1135073935 /nfs/dbraw/zinc/07/39/35/1135073935.db2.gz QBSNMJMMEJMWJF-UHFFFAOYSA-N -1 0 336.725 3.735 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc(Cl)nc(Cl)c2[O-])CCC1(F)F ZINC001193083848 1135097475 /nfs/dbraw/zinc/09/74/75/1135097475.db2.gz ZLMFRHGNGCNXMZ-SSDOTTSWSA-N -1 0 339.169 3.601 20 0 EHADRM C[C@@H]1c2ccccc2CCN1C(=O)c1cc(Cl)nc(Cl)c1[O-] ZINC001193084273 1135097505 /nfs/dbraw/zinc/09/75/05/1135097505.db2.gz TULRTTPLIBRDKB-SECBINFHSA-N -1 0 337.206 3.854 20 0 EHADRM CCc1ccc(NC(=O)c2cc(Cl)nc(Cl)c2[O-])c(O)c1 ZINC001193089099 1135098585 /nfs/dbraw/zinc/09/85/85/1135098585.db2.gz GATXGSAHKXRTTO-UHFFFAOYSA-N -1 0 327.167 3.614 20 0 EHADRM O=C(NCc1cccc(C(F)F)c1)c1cc(Cl)nc(Cl)c1[O-] ZINC001193094226 1135105291 /nfs/dbraw/zinc/10/52/91/1135105291.db2.gz WHKXLOIJCZCRNJ-UHFFFAOYSA-N -1 0 347.148 3.962 20 0 EHADRM COc1ccc(CC2(NC(=O)c3ccc(F)c([O-])c3F)CCC2)cc1 ZINC001193801487 1135186710 /nfs/dbraw/zinc/18/67/10/1135186710.db2.gz VZNQCSGMCOUSHU-UHFFFAOYSA-N -1 0 347.361 3.574 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC000804780648 1135189453 /nfs/dbraw/zinc/18/94/53/1135189453.db2.gz DWDSFXNTNNRUHU-CXAGYDPISA-N -1 0 333.391 3.559 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnn3ccccc23)c2ccccc12 ZINC001193833603 1135191239 /nfs/dbraw/zinc/19/12/39/1135191239.db2.gz FJNWETGGSVLWDD-UHFFFAOYSA-N -1 0 337.404 3.597 20 0 EHADRM Cc1cc(O)cc(NS(=O)(=O)c2ccc(C)c3ccccc32)c1 ZINC001193863213 1135197972 /nfs/dbraw/zinc/19/79/72/1135197972.db2.gz IUPYWIXIEMIOKL-UHFFFAOYSA-N -1 0 327.405 3.963 20 0 EHADRM O=C(Nc1csc(-c2ccccc2)n1)c1n[n-]c2ccccc2c1=O ZINC000804824089 1135204270 /nfs/dbraw/zinc/20/42/70/1135204270.db2.gz ICHABOVJVUKALZ-UHFFFAOYSA-N -1 0 348.387 3.711 20 0 EHADRM CCSCc1cc(C(=O)Nc2cc(F)c(O)cc2Cl)no1 ZINC001157899867 1135213659 /nfs/dbraw/zinc/21/36/59/1135213659.db2.gz NKPNGDJJWGFGCW-UHFFFAOYSA-N -1 0 330.768 3.678 20 0 EHADRM O=S(=O)([N-]c1cc(F)ccn1)c1ccc(-c2cccs2)cc1 ZINC001194134538 1135230951 /nfs/dbraw/zinc/23/09/51/1135230951.db2.gz YYKGAHAYFNQBMW-UHFFFAOYSA-N -1 0 334.397 3.750 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)Cc1noc2ccccc12 ZINC001194100617 1135232924 /nfs/dbraw/zinc/23/29/24/1135232924.db2.gz JLQKVMHOQBFHEE-UHFFFAOYSA-N -1 0 346.408 3.559 20 0 EHADRM O=S(=O)([N-]c1ccc(F)nc1)c1ccc(-c2cccs2)cc1 ZINC001194141675 1135239713 /nfs/dbraw/zinc/23/97/13/1135239713.db2.gz IDHBGUYOUVFAOJ-UHFFFAOYSA-N -1 0 334.397 3.750 20 0 EHADRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)N1CCc2ccccc2[C@@H]1C ZINC001194260660 1135251343 /nfs/dbraw/zinc/25/13/43/1135251343.db2.gz ORRJKBOODLRKQY-HNNXBMFYSA-N -1 0 347.418 3.646 20 0 EHADRM Cc1c2ccccc2oc(=O)c1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000805256449 1135254032 /nfs/dbraw/zinc/25/40/32/1135254032.db2.gz NAYODHSSJOYCTG-UHFFFAOYSA-N -1 0 347.729 3.852 20 0 EHADRM CCCc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)c1 ZINC001194310920 1135255667 /nfs/dbraw/zinc/25/56/67/1135255667.db2.gz HDMVLFASCMUHGH-UHFFFAOYSA-N -1 0 344.358 3.854 20 0 EHADRM Cc1cc(C)c([N-]S(=O)(=O)c2cccc3c(Cl)nccc32)cn1 ZINC001194459166 1135270192 /nfs/dbraw/zinc/27/01/92/1135270192.db2.gz WUOVATMHBYRNTN-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM Cc1cnc([N-]S(=O)(=O)c2cccc3c(Cl)nccc32)c(C)c1 ZINC001194459129 1135270366 /nfs/dbraw/zinc/27/03/66/1135270366.db2.gz VUQBSHJGDVEIQB-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC001195156293 1135382992 /nfs/dbraw/zinc/38/29/92/1135382992.db2.gz HNHUGNCSZYOJBC-UHFFFAOYSA-N -1 0 332.425 3.569 20 0 EHADRM CC(=O)c1sccc1[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC001195278797 1135404108 /nfs/dbraw/zinc/40/41/08/1135404108.db2.gz POAYXEKOVVKWBG-UHFFFAOYSA-N -1 0 329.830 3.713 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccnc(Cl)c1C ZINC001195277118 1135404174 /nfs/dbraw/zinc/40/41/74/1135404174.db2.gz DRVYBZFYGIOGSZ-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM Cc1ccc(O)c(C(=O)Nc2cc3[nH]ccc3cc2Br)n1 ZINC001195325744 1135406398 /nfs/dbraw/zinc/40/63/98/1135406398.db2.gz HGUOHQQVEXSSJT-UHFFFAOYSA-N -1 0 346.184 3.592 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccccc1[C@H](C)O ZINC001195316411 1135412930 /nfs/dbraw/zinc/41/29/30/1135412930.db2.gz AZFWHGULBYLHCO-NSHDSACASA-N -1 0 325.817 3.503 20 0 EHADRM CCOC(=O)NC(=S)[N-]c1cc(C(C)(C)C)sc1C(C)=O ZINC001195454192 1135425316 /nfs/dbraw/zinc/42/53/16/1135425316.db2.gz CLZFEHNUXDRHIO-UHFFFAOYSA-N -1 0 328.459 3.691 20 0 EHADRM O=C(NCc1cc(-c2ccccc2)no1)c1cccc(Cl)c1[O-] ZINC000775658750 1135432086 /nfs/dbraw/zinc/43/20/86/1135432086.db2.gz RTYLLNBGUGOMEC-UHFFFAOYSA-N -1 0 328.755 3.631 20 0 EHADRM COCc1ccc(NC(=O)c2cccc(F)c2[O-])cc1C(F)(F)F ZINC001130845206 1135520020 /nfs/dbraw/zinc/52/00/20/1135520020.db2.gz BDIPOEGLMDYSBL-UHFFFAOYSA-N -1 0 343.276 3.949 20 0 EHADRM O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)c1cccc(Cl)c1[O-] ZINC000775698671 1135532485 /nfs/dbraw/zinc/53/24/85/1135532485.db2.gz VDFVPIJEZRMJNR-JKSUJKDBSA-N -1 0 331.799 3.696 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nc3cc(Cl)ccc3o2)c(F)c1 ZINC001196344873 1135549207 /nfs/dbraw/zinc/54/92/07/1135549207.db2.gz ZHNCNVMDPAOCQI-UHFFFAOYSA-N -1 0 340.763 3.730 20 0 EHADRM Cc1ccc2sc([N-]S(=O)(=O)c3ccc(C)cc3F)nc2c1 ZINC001196347272 1135549524 /nfs/dbraw/zinc/54/95/24/1135549524.db2.gz OQPCCEVINFZNNR-UHFFFAOYSA-N -1 0 336.413 3.853 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2-n2cccc2)c(F)c1 ZINC001196382441 1135553196 /nfs/dbraw/zinc/55/31/96/1135553196.db2.gz AYGYSUHLLVBAGA-UHFFFAOYSA-N -1 0 330.384 3.726 20 0 EHADRM O=C(N[C@@H](c1ccccc1)c1ccncc1)c1cccc(Cl)c1[O-] ZINC000775712727 1135554747 /nfs/dbraw/zinc/55/47/47/1135554747.db2.gz CPIZXSGCKKLYLB-KRWDZBQOSA-N -1 0 338.794 3.960 20 0 EHADRM CC(C)CC1(NC(=O)c2cc(Cl)c(F)cc2[O-])CCOCC1 ZINC001196477765 1135565877 /nfs/dbraw/zinc/56/58/77/1135565877.db2.gz GRPIMXUSCMHLKI-UHFFFAOYSA-N -1 0 329.799 3.510 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCS[C@H](c2ccccc2)C1 ZINC000775748541 1135625448 /nfs/dbraw/zinc/62/54/48/1135625448.db2.gz DPWBHJSGISMDFP-HNNXBMFYSA-N -1 0 333.840 3.976 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N2CCC[C@H](c3ccccc3)C2)cc1 ZINC001197095533 1135644677 /nfs/dbraw/zinc/64/46/77/1135644677.db2.gz HEDKZOYDVGWUPP-INIZCTEOSA-N -1 0 340.448 3.961 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N[C@@H]2CCCc3ccccc32)cc1 ZINC001197069336 1135646669 /nfs/dbraw/zinc/64/66/69/1135646669.db2.gz GXILXVLVRCQCHT-MRXNPFEDSA-N -1 0 326.421 3.749 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2cnc(Cl)cc2Cl)cc1 ZINC001197076495 1135647241 /nfs/dbraw/zinc/64/72/41/1135647241.db2.gz GHCNGMIHGVKNOX-UHFFFAOYSA-N -1 0 342.207 3.896 20 0 EHADRM Cc1ccc(F)cc1[C@H](C)NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197137876 1135648948 /nfs/dbraw/zinc/64/89/48/1135648948.db2.gz FAGLXYOLYPSDLA-NSHDSACASA-N -1 0 332.400 3.880 20 0 EHADRM CC1(C)CN(C(=S)Nc2ccc(C(=O)[O-])cc2)Cc2ccccc21 ZINC001197102815 1135650092 /nfs/dbraw/zinc/65/00/92/1135650092.db2.gz DXZPRPOYFSTTAF-UHFFFAOYSA-N -1 0 340.448 3.875 20 0 EHADRM Cc1ccccc1[C@@H]1CN(C(=O)c2cccc(Cl)c2[O-])[C@H](C)CO1 ZINC000775759088 1135651535 /nfs/dbraw/zinc/65/15/35/1135651535.db2.gz VYTLRVCESKPKIO-DYVFJYSZSA-N -1 0 345.826 3.956 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NCc2c(F)cccc2Cl)cc1 ZINC001197128126 1135652443 /nfs/dbraw/zinc/65/24/43/1135652443.db2.gz GDSNJIOLHWODIG-UHFFFAOYSA-N -1 0 338.791 3.664 20 0 EHADRM Cc1ncccc1[C@@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)C1CC1 ZINC001197147800 1135654132 /nfs/dbraw/zinc/65/41/32/1135654132.db2.gz QOGPVKBCOMFRTI-INIZCTEOSA-N -1 0 341.436 3.526 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N(Cc1ccccc1)CC(F)F ZINC000775762885 1135657698 /nfs/dbraw/zinc/65/76/98/1135657698.db2.gz VESWSTYVTZCPLO-UHFFFAOYSA-N -1 0 325.742 3.953 20 0 EHADRM [O-]c1cc(F)cnc1NC(=S)Nc1ccc(OC(F)(F)F)cc1 ZINC001197499306 1135700531 /nfs/dbraw/zinc/70/05/31/1135700531.db2.gz KRVXEXNWNFBOKI-UHFFFAOYSA-N -1 0 347.293 3.634 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCC[C@@H](Nc2ccccc2)C1 ZINC000775779515 1135712564 /nfs/dbraw/zinc/71/25/64/1135712564.db2.gz ADZDCOKVSQQCSC-CQSZACIVSA-N -1 0 330.815 3.762 20 0 EHADRM Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc(C)ccn3)c2)cs1 ZINC001197956861 1135757496 /nfs/dbraw/zinc/75/74/96/1135757496.db2.gz USAQZZQPBIJSOU-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2cccc(OC3CCCC3)c2)c1 ZINC001197998487 1135760080 /nfs/dbraw/zinc/76/00/80/1135760080.db2.gz DVCQAUCINLGVKT-UHFFFAOYSA-N -1 0 332.425 3.512 20 0 EHADRM COc1ccc([C@@H](OC)[C@H](C)NC(=O)c2cccc(Cl)c2[O-])cc1 ZINC000775816102 1135769799 /nfs/dbraw/zinc/76/97/99/1135769799.db2.gz XFZABEMUVHJIQH-GTNSWQLSSA-N -1 0 349.814 3.560 20 0 EHADRM O=S(=O)([N-]c1cccc(-c2ccccc2)n1)c1cccc(Cl)n1 ZINC001198198668 1135787815 /nfs/dbraw/zinc/78/78/15/1135787815.db2.gz XPLNJXGPSRUKQX-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)n2)c2ccccc12 ZINC001198232988 1135789988 /nfs/dbraw/zinc/78/99/88/1135789988.db2.gz GMPHIFCVOZHZQQ-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccccc2Oc2ccccc2)no1 ZINC001198432082 1135814310 /nfs/dbraw/zinc/81/43/10/1135814310.db2.gz DBBFZEKZFFGGSG-UHFFFAOYSA-N -1 0 330.365 3.576 20 0 EHADRM C[C@@H]1CCc2c(C(=O)Nc3ccc4[n-]c(=S)sc4c3)n[nH]c21 ZINC001198453924 1135816578 /nfs/dbraw/zinc/81/65/78/1135816578.db2.gz PHAHVIUUNPOUST-SSDOTTSWSA-N -1 0 330.438 3.610 20 0 EHADRM S=C(Nc1ccc(Br)cc1[S-])NC1CCCC1 ZINC001198554947 1135834622 /nfs/dbraw/zinc/83/46/22/1135834622.db2.gz ZKTMRJQCDSWNOP-UHFFFAOYSA-N -1 0 331.304 3.967 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cccc3c(C)ccnc23)c(C)c1 ZINC001198943931 1135871599 /nfs/dbraw/zinc/87/15/99/1135871599.db2.gz UAHIFTMTOVENGY-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM O=C([N-][C@H]1CCCOc2cc(Cl)ccc21)C(F)(F)C(F)F ZINC000776002020 1135916524 /nfs/dbraw/zinc/91/65/24/1135916524.db2.gz QWJPDSSCZSWUMU-VIFPVBQESA-N -1 0 325.689 3.570 20 0 EHADRM CC(C)CCS(=O)(=O)[N-]C(=O)CCCc1ccc2ccccc2c1 ZINC000776087471 1135952247 /nfs/dbraw/zinc/95/22/47/1135952247.db2.gz WLQDOFVRAOKBIW-UHFFFAOYSA-N -1 0 347.480 3.655 20 0 EHADRM CCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1cc(C)cc(F)c1 ZINC000776095391 1135954613 /nfs/dbraw/zinc/95/46/13/1135954613.db2.gz BVLKAUMZQNHEIR-ZDUSSCGKSA-N -1 0 329.437 3.546 20 0 EHADRM O=C([O-])c1c(F)cc(Nc2ccc3nc(C4CCC4)nn3c2)cc1F ZINC001203324073 1135957831 /nfs/dbraw/zinc/95/78/31/1135957831.db2.gz ZLPJRYAMJIBHEY-UHFFFAOYSA-N -1 0 344.321 3.717 20 0 EHADRM O=C([N-]S(=O)(=O)Cc1ccccc1)c1ccc(C2=CCCC2)cc1 ZINC000810520326 1135968507 /nfs/dbraw/zinc/96/85/07/1135968507.db2.gz DRTVUDUSOPGVER-UHFFFAOYSA-N -1 0 341.432 3.514 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2)cc1Cl ZINC000747617272 1135984181 /nfs/dbraw/zinc/98/41/81/1135984181.db2.gz BLFUMLXQYRFSJT-UHFFFAOYSA-N -1 0 349.264 3.911 20 0 EHADRM COC[C@@H](OC(=O)c1cc2cc(Cl)sc2[nH]1)C(F)(F)F ZINC000810637955 1135987687 /nfs/dbraw/zinc/98/76/87/1135987687.db2.gz JWMPVOYUVXRQPY-SSDOTTSWSA-N -1 0 327.711 3.617 20 0 EHADRM O=c1cc(NC(=S)Nc2ccc(Cl)c(Cl)c2)nc(Cl)[n-]1 ZINC001201158037 1135989788 /nfs/dbraw/zinc/98/97/88/1135989788.db2.gz SQWGQFLEZGEQOP-UHFFFAOYSA-N -1 0 349.630 3.951 20 0 EHADRM Cc1conc1[N-]S(=O)(=O)c1cccc(Oc2ccccc2C)c1 ZINC001201570689 1136042150 /nfs/dbraw/zinc/04/21/50/1136042150.db2.gz DTPKJAAIZBTXCO-UHFFFAOYSA-N -1 0 344.392 3.885 20 0 EHADRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cccc(F)c2O)c(C)c1C ZINC001201797576 1136063872 /nfs/dbraw/zinc/06/38/72/1136063872.db2.gz FGCIXYZXWRTYER-UHFFFAOYSA-N -1 0 337.416 3.874 20 0 EHADRM Cc1cc(=O)[nH]c2cc(C(=O)Nc3cc(Cl)c([O-])cc3F)ccc12 ZINC000811527448 1136098779 /nfs/dbraw/zinc/09/87/79/1136098779.db2.gz ONILOLBEFNBDCO-UHFFFAOYSA-N -1 0 346.745 3.999 20 0 EHADRM CCSc1cccc(F)c1[N-]S(=O)(=O)c1cccnc1Cl ZINC000811838518 1136143675 /nfs/dbraw/zinc/14/36/75/1136143675.db2.gz MEEIEUYFUAOSPA-UHFFFAOYSA-N -1 0 346.836 3.787 20 0 EHADRM CCOCc1cccc(NC(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000811818406 1136145075 /nfs/dbraw/zinc/14/50/75/1136145075.db2.gz MMMCLNFXEDOCST-UHFFFAOYSA-N -1 0 333.771 3.827 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)NCCCSc2ccccc2)c1 ZINC000811815989 1136145085 /nfs/dbraw/zinc/14/50/85/1136145085.db2.gz HMFJRLDYVRVKNH-UHFFFAOYSA-N -1 0 349.839 3.950 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)NCc2cc3ccccc3o2)c1 ZINC000811817736 1136145170 /nfs/dbraw/zinc/14/51/70/1136145170.db2.gz RAUXTEYCYNULJF-UHFFFAOYSA-N -1 0 329.739 3.714 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)Nc2cccc3ncccc32)c1 ZINC000811821951 1136145795 /nfs/dbraw/zinc/14/57/95/1136145795.db2.gz WUHCFMOGLITLOE-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM CCC(CC)(C(=O)[N-]OC/C=C\Cl)c1ccc(OC)c(OC)c1 ZINC000812400364 1136201195 /nfs/dbraw/zinc/20/11/95/1136201195.db2.gz KNJRQKOAUFENFK-YFHOEESVSA-N -1 0 341.835 3.562 20 0 EHADRM CON(Cc1ccc(Cl)cc1)C(=O)N=c1nc(SC)[n-]s1 ZINC000812951107 1136276716 /nfs/dbraw/zinc/27/67/16/1136276716.db2.gz KSQCMMZAYUBQFV-UHFFFAOYSA-N -1 0 344.849 3.509 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccc2ccccc2c1)[C@@H]1CCCC2(CC2)C1 ZINC000850731363 1136298249 /nfs/dbraw/zinc/29/82/49/1136298249.db2.gz RDFUVCCBKYDOSI-MRXNPFEDSA-N -1 0 343.448 3.615 20 0 EHADRM CCOC(=O)c1nc(NC(=O)c2cccc3ccsc32)[n-]c1Cl ZINC001133885138 1136355048 /nfs/dbraw/zinc/35/50/48/1136355048.db2.gz IUHVUTAGSZYETD-UHFFFAOYSA-N -1 0 349.799 3.707 20 0 EHADRM O=C([N-]S(=O)(=O)c1cc2ccccc2o1)C1CC2(C1)CCCCC2 ZINC000851247845 1136357602 /nfs/dbraw/zinc/35/76/02/1136357602.db2.gz HQAFNYBGPGXTHS-UHFFFAOYSA-N -1 0 347.436 3.598 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@H](C)c1ccccc1 ZINC000814017582 1136386776 /nfs/dbraw/zinc/38/67/76/1136386776.db2.gz ZQWNERGKPVRZJZ-MAUKXSAKSA-N -1 0 345.464 3.778 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)o1 ZINC000851593920 1136394992 /nfs/dbraw/zinc/39/49/92/1136394992.db2.gz DRLACNWISZVSNN-HZTRFMAJSA-N -1 0 339.391 3.834 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cccc(SC(F)(F)F)c1 ZINC000851598035 1136395275 /nfs/dbraw/zinc/39/52/75/1136395275.db2.gz ITKXRMSVNYENAG-CYBMUJFWSA-N -1 0 335.347 3.672 20 0 EHADRM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851595792 1136395385 /nfs/dbraw/zinc/39/53/85/1136395385.db2.gz KSKACAVTYLQXCQ-XAVKZTDYSA-N -1 0 345.370 3.514 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851601307 1136395836 /nfs/dbraw/zinc/39/58/36/1136395836.db2.gz KPQKLXCZPMWDKZ-UILAEWCASA-N -1 0 341.407 3.779 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1cccc(SC(F)(F)F)c1)CC1CC1 ZINC000851609123 1136396389 /nfs/dbraw/zinc/39/63/89/1136396389.db2.gz QEGYMVLMGHGHMM-LLVKDONJSA-N -1 0 347.358 3.529 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2cccc(N3CCCCC3)c2)CC1 ZINC000851692961 1136399871 /nfs/dbraw/zinc/39/98/71/1136399871.db2.gz YSAVMYONGJKFLX-UHFFFAOYSA-N -1 0 330.428 3.506 20 0 EHADRM CC[C@H](NC(=O)CC1(C(=O)[O-])Cc2ccccc2C1)c1ccccc1 ZINC000338950961 1136476411 /nfs/dbraw/zinc/47/64/11/1136476411.db2.gz AXEHKONRQQQAAU-SFHVURJKSA-N -1 0 337.419 3.514 20 0 EHADRM COc1cccc(/C(C)=C/C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC000776632524 1136493048 /nfs/dbraw/zinc/49/30/48/1136493048.db2.gz WGFUTOYFZAWCAN-RIUSXJRMSA-N -1 0 337.375 3.835 20 0 EHADRM Cc1ccccc1OCCCO[N-]C(=O)C(C)(C)c1ccccc1 ZINC000111190376 1136520086 /nfs/dbraw/zinc/52/00/86/1136520086.db2.gz NWPVGYBGRVLYBR-UHFFFAOYSA-N -1 0 327.424 3.790 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC000776673957 1136529090 /nfs/dbraw/zinc/52/90/90/1136529090.db2.gz WTPKWVYHNQTRPV-KSSFIOAISA-N -1 0 343.398 3.645 20 0 EHADRM CCN(C(=O)c1ccc([O-])c(Cl)c1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000854566412 1136628750 /nfs/dbraw/zinc/62/87/50/1136628750.db2.gz WGOLULKWTQGTDQ-SJCJKPOMSA-N -1 0 333.815 3.630 20 0 EHADRM CON(C(=O)c1ccc2oc(=S)[n-]c2c1)[C@H](C)c1csc(C)n1 ZINC000854754040 1136641159 /nfs/dbraw/zinc/64/11/59/1136641159.db2.gz JWBYRGDCBNNCEF-MRVPVSSYSA-N -1 0 349.437 3.646 20 0 EHADRM CC(C)[C@@H](CO)O[N-]C(=O)[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000854828555 1136646287 /nfs/dbraw/zinc/64/62/87/1136646287.db2.gz ZLJQCEXYAYZSSS-QZTJIDSGSA-N -1 0 347.842 3.537 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H](C)CC(C)(C)C ZINC000816107517 1136677140 /nfs/dbraw/zinc/67/71/40/1136677140.db2.gz LDAUFOHBOMRONF-GDBMZVCRSA-N -1 0 339.501 3.902 20 0 EHADRM CCCC[C@@H](C)C(=O)[N-]S(=O)(=O)[C@H](c1ccccc1)C(C)C ZINC000816110992 1136677566 /nfs/dbraw/zinc/67/75/66/1136677566.db2.gz MXBSBWVHVWGZFX-ZBFHGGJFSA-N -1 0 325.474 3.656 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000816109221 1136677574 /nfs/dbraw/zinc/67/75/74/1136677574.db2.gz XNAJRQQSSFAXAK-OIISXLGYSA-N -1 0 337.485 3.656 20 0 EHADRM C/C(=C\C(=O)[N-]S(=O)(=O)[C@@H](c1ccccc1)C(C)C)C(C)(C)C ZINC000816110561 1136677613 /nfs/dbraw/zinc/67/76/13/1136677613.db2.gz CJZGVTSHYZHFJS-ABDJAZHISA-N -1 0 337.485 3.822 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@H]1CCC[C@@H]1C ZINC000816111405 1136677756 /nfs/dbraw/zinc/67/77/56/1136677756.db2.gz XPICALNCEUIMJU-YXJHDRRASA-N -1 0 337.485 3.656 20 0 EHADRM Cc1cc(C(=O)[N-]S(=O)(=O)[C@H](c2ccccc2)C(C)C)cs1 ZINC000816113738 1136678146 /nfs/dbraw/zinc/67/81/46/1136678146.db2.gz ZUSYKMSRYUMLKO-HNNXBMFYSA-N -1 0 337.466 3.513 20 0 EHADRM CC(C)(C)OC(=O)c1cc(C(=O)Nc2cccc3ccccc32)n[n-]1 ZINC001135672616 1136750250 /nfs/dbraw/zinc/75/02/50/1136750250.db2.gz DBDWAWBAZLRSNT-UHFFFAOYSA-N -1 0 337.379 3.771 20 0 EHADRM CC(=CC(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1)c1cccc(F)c1 ZINC000816752264 1136751600 /nfs/dbraw/zinc/75/16/00/1136751600.db2.gz WTWPXKZJBGUXCN-BENRWUELSA-N -1 0 337.354 3.963 20 0 EHADRM O=C(Nc1ccccc1N1CCCC1)c1ccc2oc(=S)[n-]c2c1 ZINC000816840966 1136756638 /nfs/dbraw/zinc/75/66/38/1136756638.db2.gz KQHMUQJBGFLEGL-UHFFFAOYSA-N -1 0 339.420 3.969 20 0 EHADRM O=C(N[C@H]1CCc2cc(F)ccc21)c1ccc2oc(=S)[n-]c2c1 ZINC000816900696 1136763313 /nfs/dbraw/zinc/76/33/13/1136763313.db2.gz SOTMLKPMXKYIHS-ZDUSSCGKSA-N -1 0 328.368 3.673 20 0 EHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCS[C@@H]2CCCC[C@H]21 ZINC000816945825 1136766190 /nfs/dbraw/zinc/76/61/90/1136766190.db2.gz QILZVEWCKRCPJW-TZMCWYRMSA-N -1 0 334.466 3.617 20 0 EHADRM CCCc1ccccc1NC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC001135899453 1136801256 /nfs/dbraw/zinc/80/12/56/1136801256.db2.gz IITXBPBPYPXHRM-UHFFFAOYSA-N -1 0 339.370 3.922 20 0 EHADRM O=Cc1ccc(-c2ccc([O-])c(C(=O)Nc3nc4ccccc4[nH]3)c2)o1 ZINC001135918974 1136811644 /nfs/dbraw/zinc/81/16/44/1136811644.db2.gz OOVCGBNTDHOIKM-UHFFFAOYSA-N -1 0 347.330 3.593 20 0 EHADRM CC(C)Cc1nc(=NCc2ccsc2Br)s[n-]1 ZINC000509496382 1136815078 /nfs/dbraw/zinc/81/50/78/1136815078.db2.gz SERQRKLWYUQNDF-UHFFFAOYSA-N -1 0 332.292 3.595 20 0 EHADRM C[C@@H](O[C@@H](C)C(=O)Nc1ccc(SC(C)(C)C)c(F)c1)C(=O)[O-] ZINC000817571506 1136820895 /nfs/dbraw/zinc/82/08/95/1136820895.db2.gz GJXRWSMVEZSLOP-VHSXEESVSA-N -1 0 343.420 3.533 20 0 EHADRM C/C(=C/C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21)c1cccs1 ZINC000856927630 1136824806 /nfs/dbraw/zinc/82/48/06/1136824806.db2.gz RXOXQWTYVGGWND-WJIFRPJFSA-N -1 0 333.453 3.643 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000856989472 1136830591 /nfs/dbraw/zinc/83/05/91/1136830591.db2.gz MYQYDIDLVMDDCL-RISCZKNCSA-N -1 0 344.238 3.686 20 0 EHADRM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)[N-]OCc1ccccc1 ZINC000857432947 1136869945 /nfs/dbraw/zinc/86/99/45/1136869945.db2.gz NSBWHCNCFRNWBB-QGZVFWFLSA-N -1 0 333.815 3.991 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)Nc3ccc4c[nH]nc4c3)c([O-])c2)o1 ZINC001136138312 1136876929 /nfs/dbraw/zinc/87/69/29/1136876929.db2.gz ILYDCTOBHRXRAQ-UHFFFAOYSA-N -1 0 347.330 3.593 20 0 EHADRM O=C(Nc1ccc(OC(F)F)cn1)c1cccc(C(F)(F)F)c1[O-] ZINC000857511035 1136878877 /nfs/dbraw/zinc/87/88/77/1136878877.db2.gz DFZGURCBDDTZDG-UHFFFAOYSA-N -1 0 348.227 3.660 20 0 EHADRM O=C([O-])c1cn(CC(=O)Nc2cccc3c2CCCC3)c2ccccc12 ZINC000818805799 1136889867 /nfs/dbraw/zinc/88/98/67/1136889867.db2.gz VAHOQTHVBFRILT-UHFFFAOYSA-N -1 0 348.402 3.857 20 0 EHADRM CC[C@H]1C[C@H](C)CN1C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000820478133 1136994438 /nfs/dbraw/zinc/99/44/38/1136994438.db2.gz AMIYSLDUYJNAQS-JSGCOSHPSA-N -1 0 327.380 3.725 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])C(C)(C)C1 ZINC000820528640 1136995937 /nfs/dbraw/zinc/99/59/37/1136995937.db2.gz VWMKQJSZNJPZED-LBPRGKRZSA-N -1 0 327.380 3.725 20 0 EHADRM Cc1n[nH]c(C(=O)N[C@@H](c2ccsc2)c2ccc(Cl)cc2)c1[O-] ZINC001136375983 1137004207 /nfs/dbraw/zinc/00/42/07/1137004207.db2.gz LAPBYSGPTDLVNT-CYBMUJFWSA-N -1 0 347.827 3.658 20 0 EHADRM CCCCC[C@@H](NC(=O)Nc1ccc(OC)c(Cl)c1)C(=O)[O-] ZINC000797735235 1137006371 /nfs/dbraw/zinc/00/63/71/1137006371.db2.gz YTTOKQOTKAWWJG-GFCCVEGCSA-N -1 0 328.796 3.504 20 0 EHADRM CN(C[C@@H]1CC=CCC1)C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000821855810 1137040343 /nfs/dbraw/zinc/04/03/43/1137040343.db2.gz CPKIKCNRQOORIZ-CQSZACIVSA-N -1 0 339.391 3.893 20 0 EHADRM CN(C)c1ccc(Cl)cc1NC(=O)c1cc(F)cc(F)c1[O-] ZINC001136511606 1137041860 /nfs/dbraw/zinc/04/18/60/1137041860.db2.gz ICERMMXREYOJBK-UHFFFAOYSA-N -1 0 326.730 3.642 20 0 EHADRM C[C@H](COc1ccccc1)NC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC001136509596 1137043229 /nfs/dbraw/zinc/04/32/29/1137043229.db2.gz UJXLYOHVFUXOAU-LLVKDONJSA-N -1 0 339.313 3.608 20 0 EHADRM O=C([N-]OCc1ccccn1)[C@@H](OCC1CCCC1)c1ccccc1 ZINC000822243247 1137052873 /nfs/dbraw/zinc/05/28/73/1137052873.db2.gz OQJDYHWKQFWXLE-IBGZPJMESA-N -1 0 340.423 3.578 20 0 EHADRM CCC[C@@H](C(=O)[N-]S(=O)(=O)C1(CC)CC1)c1cccc(Cl)c1 ZINC000860804000 1137079241 /nfs/dbraw/zinc/07/92/41/1137079241.db2.gz YDWVIPGGTBYHPM-CQSZACIVSA-N -1 0 343.876 3.612 20 0 EHADRM CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000823589885 1137105282 /nfs/dbraw/zinc/10/52/82/1137105282.db2.gz OPOPRRGFRNWXDS-NWDGAFQWSA-N -1 0 331.416 3.511 20 0 EHADRM CCc1oc(C(=O)Nc2cccc(Br)c2)cc1C(=O)[O-] ZINC000339028915 1137109903 /nfs/dbraw/zinc/10/99/03/1137109903.db2.gz MDZDIDOIDVWNSL-UHFFFAOYSA-N -1 0 338.157 3.555 20 0 EHADRM O=C(c1cc(Br)cc(F)c1[O-])N1CCC[C@@H]2CCC[C@H]21 ZINC001136780191 1137115415 /nfs/dbraw/zinc/11/54/15/1137115415.db2.gz UEAIVHFXRWIPHZ-TVQRCGJNSA-N -1 0 342.208 3.699 20 0 EHADRM CC(C)(C)CCCCC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000805843739 1137117974 /nfs/dbraw/zinc/11/79/74/1137117974.db2.gz RKEDFPQKHFRDQG-UHFFFAOYSA-N -1 0 331.865 3.751 20 0 EHADRM CCOc1ccc(OC)cc1NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000118887303 1137139859 /nfs/dbraw/zinc/13/98/59/1137139859.db2.gz ILIKKHZGSILCAW-UHFFFAOYSA-N -1 0 344.392 3.776 20 0 EHADRM C[C@H](NC(=O)c1ccc(Cl)c([O-])c1)c1cccc(-n2cccn2)c1 ZINC001137008593 1137170383 /nfs/dbraw/zinc/17/03/83/1137170383.db2.gz CRKCKAHHQBHYCP-LBPRGKRZSA-N -1 0 341.798 3.722 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)N3C[C@@H]4CC=CC[C@@H]4C3)c([O-])c2)o1 ZINC000825392932 1137176470 /nfs/dbraw/zinc/17/64/70/1137176470.db2.gz ZEQOJXHVDMDPBX-GASCZTMLSA-N -1 0 337.375 3.503 20 0 EHADRM CCc1cc(Cl)cnc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC000863450983 1137187046 /nfs/dbraw/zinc/18/70/46/1137187046.db2.gz SDAZEZGCPYCHFK-UHFFFAOYSA-N -1 0 336.844 3.976 20 0 EHADRM CC(C)[C@H]1N(C(=O)c2ccc3[n-]c(=S)oc3c2)CC12CC=CC2 ZINC000844099421 1137198188 /nfs/dbraw/zinc/19/81/88/1137198188.db2.gz OREGRBBKCMKXLB-OAHLLOKOSA-N -1 0 328.437 3.933 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000844151682 1137199795 /nfs/dbraw/zinc/19/97/95/1137199795.db2.gz CQDJAAOJLHTGJC-HSBZDZAISA-N -1 0 337.847 3.668 20 0 EHADRM C[C@]1(CCNC(=O)CC2(CC(=O)[O-])CCCCC2)C[C@@]1(F)Cl ZINC000844269971 1137207411 /nfs/dbraw/zinc/20/74/11/1137207411.db2.gz YDMISOKESIQWAI-HOCLYGCPSA-N -1 0 333.831 3.623 20 0 EHADRM C[C@H](CCc1ccc(F)cc1)C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000864098607 1137214670 /nfs/dbraw/zinc/21/46/70/1137214670.db2.gz OEEAXYQZYVMHNN-UWIFEVILSA-N -1 0 347.430 3.639 20 0 EHADRM CC[C@H](C)N(Cc1ccccc1)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000864100922 1137214919 /nfs/dbraw/zinc/21/49/19/1137214919.db2.gz ADHCPUWMZJXLRT-WONIAPNHSA-N -1 0 327.380 3.818 20 0 EHADRM Cc1cc2c(CC(=O)N3CCC(CC(=O)[O-])CC3)csc2s1 ZINC000864100852 1137214949 /nfs/dbraw/zinc/21/49/49/1137214949.db2.gz YDNNAXARTGMISS-UHFFFAOYSA-N -1 0 337.466 3.527 20 0 EHADRM C[C@@H](CCc1ccc(F)cc1)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000864100693 1137215143 /nfs/dbraw/zinc/21/51/43/1137215143.db2.gz VNZBHKVRBMOQEK-SWLSCSKDSA-N -1 0 349.427 3.788 20 0 EHADRM O=C(/C=C\c1cc(C(=O)[O-])co1)Nc1cccc(COCC2CC2)c1 ZINC000864106765 1137215213 /nfs/dbraw/zinc/21/52/13/1137215213.db2.gz RQYDSMFLHQWIEU-SREVYHEPSA-N -1 0 341.363 3.556 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N(Cc2ccccc2)CC2CCC2)o1 ZINC000864106398 1137215252 /nfs/dbraw/zinc/21/52/52/1137215252.db2.gz LEGFTKRTWVTNOT-BENRWUELSA-N -1 0 339.391 3.820 20 0 EHADRM CC(C)Oc1ccccc1[C@H](C)NC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000864125332 1137216231 /nfs/dbraw/zinc/21/62/31/1137216231.db2.gz UAWPFNIKKFNZSV-YXVBKTCISA-N -1 0 343.379 3.656 20 0 EHADRM Cc1cc(C)c(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2F)s1 ZINC000864127176 1137216552 /nfs/dbraw/zinc/21/65/52/1137216552.db2.gz YLUWYPAGGKDDGJ-CYBMUJFWSA-N -1 0 339.363 3.589 20 0 EHADRM CCc1cccc2[nH]c(C(=O)N3CCC[C@H](C(C)(C)C(=O)[O-])C3)cc21 ZINC000864133679 1137216779 /nfs/dbraw/zinc/21/67/79/1137216779.db2.gz WXNARXBROQNLAA-AWEZNQCLSA-N -1 0 342.439 3.693 20 0 EHADRM C[C@H](CCc1ccc(F)cc1)C(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000864134914 1137216837 /nfs/dbraw/zinc/21/68/37/1137216837.db2.gz KVHBDIAECSBVSJ-NRXGSXMXSA-N -1 0 335.419 3.544 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C1([C@@H]2CCCCO2)CCC1 ZINC000864135091 1137216867 /nfs/dbraw/zinc/21/68/67/1137216867.db2.gz IPOIHTJOATUUPS-INIZCTEOSA-N -1 0 331.412 3.680 20 0 EHADRM CSCCCCCCC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000864156158 1137217385 /nfs/dbraw/zinc/21/73/85/1137217385.db2.gz ZHEZUCSCXUSROP-HRCADAONSA-N -1 0 341.517 3.792 20 0 EHADRM Cc1cc2c(CC(=O)N3CCCCC[C@H]3C(=O)[O-])csc2s1 ZINC000864159440 1137217648 /nfs/dbraw/zinc/21/76/48/1137217648.db2.gz ZQGKZQZAPJQHEM-ZDUSSCGKSA-N -1 0 337.466 3.670 20 0 EHADRM CC(C)(CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21)c1ccc(F)cc1 ZINC000864174256 1137217938 /nfs/dbraw/zinc/21/79/38/1137217938.db2.gz DTAQJUKQBKUMJA-ULQDDVLXSA-N -1 0 347.430 3.595 20 0 EHADRM Cc1ccc(C[C@]2(C)CCCN2C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000864195108 1137218722 /nfs/dbraw/zinc/21/87/22/1137218722.db2.gz XYEXFVKLDZJORT-LQWHRVPQSA-N -1 0 343.467 3.810 20 0 EHADRM C[C@H](C(=O)N[C@](C)(CC(=O)[O-])C1CC1)c1c(Cl)cccc1Cl ZINC000864200210 1137218851 /nfs/dbraw/zinc/21/88/51/1137218851.db2.gz TUHPIYOHJCZNRC-XXFAHNHDSA-N -1 0 344.238 3.857 20 0 EHADRM O=C([O-])c1c(NC(=O)c2coc(C(F)F)c2)sc2c1CCC2 ZINC000864358363 1137223506 /nfs/dbraw/zinc/22/35/06/1137223506.db2.gz WDBIBFCFTKSTHP-UHFFFAOYSA-N -1 0 327.308 3.718 20 0 EHADRM COc1ccc(CNCc2nc(C)c(C(=O)[O-])s2)cc1C(C)(C)C ZINC000864504409 1137230377 /nfs/dbraw/zinc/23/03/77/1137230377.db2.gz GYUBECIHQQHKQQ-UHFFFAOYSA-N -1 0 348.468 3.746 20 0 EHADRM Cc1nc(CNCc2cccc(CC3CCC3)c2)sc1C(=O)[O-] ZINC000864505077 1137230501 /nfs/dbraw/zinc/23/05/01/1137230501.db2.gz ZEPPAXZPHFKMPQ-UHFFFAOYSA-N -1 0 330.453 3.782 20 0 EHADRM CCCCc1oc2ccccc2c1CN[C@@H](COC(C)C)C(=O)[O-] ZINC000864516745 1137231684 /nfs/dbraw/zinc/23/16/84/1137231684.db2.gz NVCCJTRSIUAZHF-INIZCTEOSA-N -1 0 333.428 3.743 20 0 EHADRM CCc1cccc(CC)c1NC(=O)NCc1ccccc1C(=O)[O-] ZINC000864586188 1137235579 /nfs/dbraw/zinc/23/55/79/1137235579.db2.gz GLWZSBBYWLGOLX-UHFFFAOYSA-N -1 0 326.396 3.831 20 0 EHADRM CCCC(C)(C)C(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000845438749 1137292124 /nfs/dbraw/zinc/29/21/24/1137292124.db2.gz VGFGXQXAJZFTIM-UHFFFAOYSA-N -1 0 344.285 3.686 20 0 EHADRM COC(C)(C)c1nsc([N-]c2cnn([C@H](C)c3ccccc3)c2)n1 ZINC000865899632 1137319347 /nfs/dbraw/zinc/31/93/47/1137319347.db2.gz JEQMHIUIKUCFIE-GFCCVEGCSA-N -1 0 343.456 3.969 20 0 EHADRM Cc1ncc(S(=O)(=O)[N-]c2cccc(OCCC(C)C)c2)s1 ZINC000339074034 1137323740 /nfs/dbraw/zinc/32/37/40/1137323740.db2.gz GPTONDXQQCNJAN-UHFFFAOYSA-N -1 0 340.470 3.677 20 0 EHADRM Cc1ccsc1C(=O)Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1 ZINC001147113616 1137400897 /nfs/dbraw/zinc/40/08/97/1137400897.db2.gz RCXNUXRPYLQJBV-UHFFFAOYSA-N -1 0 347.417 3.709 20 0 EHADRM O=C(N[C@@H](c1ccc(F)cc1F)C1CC1)c1cc(F)cc(F)c1[O-] ZINC001148377840 1137423680 /nfs/dbraw/zinc/42/36/80/1137423680.db2.gz ASASZFSMHDMAIO-OAHLLOKOSA-N -1 0 339.288 3.830 20 0 EHADRM COc1cccc(CNC(=O)c2cc(Cl)cc(Cl)c2[O-])c1C ZINC001148438521 1137424046 /nfs/dbraw/zinc/42/40/46/1137424046.db2.gz HCMSIONOYOUWER-UHFFFAOYSA-N -1 0 340.206 3.946 20 0 EHADRM CC1(C)CN(C(=O)c2ccc3oc(=S)[n-]c3c2)[C@H]1c1ccco1 ZINC000869788409 1137466108 /nfs/dbraw/zinc/46/61/08/1137466108.db2.gz PFTFQEKKJDPOHS-AWEZNQCLSA-N -1 0 328.393 3.933 20 0 EHADRM O=C(Nc1ccn(C2CCSCC2)n1)c1c([O-])cccc1Cl ZINC000869939833 1137472952 /nfs/dbraw/zinc/47/29/52/1137472952.db2.gz AYZHRXVIRMCTIA-UHFFFAOYSA-N -1 0 337.832 3.563 20 0 EHADRM CC[C@@H](C)Sc1ccc(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c(C)c1 ZINC000871654403 1137551929 /nfs/dbraw/zinc/55/19/29/1137551929.db2.gz XQUQQHRTPIGZLH-JHJVBQTASA-N -1 0 336.457 3.870 20 0 EHADRM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(C(F)F)o2)n1 ZINC000872009962 1137564347 /nfs/dbraw/zinc/56/43/47/1137564347.db2.gz CMRRKXGGBFVXRG-SECBINFHSA-N -1 0 346.355 3.590 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cnccc2C(F)(F)F)c(C)s1 ZINC000872010855 1137564545 /nfs/dbraw/zinc/56/45/45/1137564545.db2.gz LUIAALVRGSWHQL-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM O=C([O-])c1csc(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000872159087 1137574577 /nfs/dbraw/zinc/57/45/77/1137574577.db2.gz MFSBRVUZHMYBNZ-UHFFFAOYSA-N -1 0 347.280 3.763 20 0 EHADRM CCC(F)(F)c1ccccc1[N-]S(=O)(=O)c1cc(C)ns1 ZINC000872410600 1137579595 /nfs/dbraw/zinc/57/95/95/1137579595.db2.gz OSQNWHZPYATRQQ-UHFFFAOYSA-N -1 0 332.397 3.754 20 0 EHADRM Cc1ccc(NC(=O)Cc2csc(C3CCCC3)n2)cc1C(=O)[O-] ZINC000872714914 1137583004 /nfs/dbraw/zinc/58/30/04/1137583004.db2.gz UIWOXLYXZMZKKE-UHFFFAOYSA-N -1 0 344.436 3.989 20 0 EHADRM O=C([O-])c1cc(NC(=O)Cc2csc(C3CC3)n2)ccc1Cl ZINC000872711997 1137583010 /nfs/dbraw/zinc/58/30/10/1137583010.db2.gz GDXYBYKLJRDSAQ-UHFFFAOYSA-N -1 0 336.800 3.553 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)Cc1csc(C2CCCC2)n1 ZINC000872712227 1137583054 /nfs/dbraw/zinc/58/30/54/1137583054.db2.gz KHOWBDRKJCOKFF-UHFFFAOYSA-N -1 0 344.436 3.989 20 0 EHADRM Cc1oc(-c2ccccc2)cc1C(=O)N1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000872765576 1137584030 /nfs/dbraw/zinc/58/40/30/1137584030.db2.gz RAUDBBREXVCYSI-FXAWDEMLSA-N -1 0 339.391 3.724 20 0 EHADRM CC(C)(CCC(=O)N1CC[C@]2(C(=O)[O-])CCC[C@H]12)c1ccccc1 ZINC000872766138 1137584047 /nfs/dbraw/zinc/58/40/47/1137584047.db2.gz SPMZQVREVJDYTI-OXJNMPFZSA-N -1 0 329.440 3.600 20 0 EHADRM CC(C)Sc1ccc(C(=O)N2CC[C@]3(C(=O)[O-])CCC[C@H]23)cc1 ZINC000872767237 1137584152 /nfs/dbraw/zinc/58/41/52/1137584152.db2.gz PYQVKMYRARPKPM-MAUKXSAKSA-N -1 0 333.453 3.657 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)Nc1cccc(SC(F)F)c1)C(=O)[O-] ZINC000872844516 1137585448 /nfs/dbraw/zinc/58/54/48/1137585448.db2.gz UTLFQKHBOMYCJS-YUMQZZPRSA-N -1 0 335.397 3.535 20 0 EHADRM CC(C)C[C@](C)(CC(=O)[O-])C(=O)NCCC[C@H]1CC1(Cl)Cl ZINC000872875729 1137585904 /nfs/dbraw/zinc/58/59/04/1137585904.db2.gz FGYOGRSFXHYKJL-SMDDNHRTSA-N -1 0 338.275 3.604 20 0 EHADRM CCC(CC)(CC(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C)C(=O)[O-] ZINC000872905558 1137586431 /nfs/dbraw/zinc/58/64/31/1137586431.db2.gz XCVGLJIOPMWOOG-INIZCTEOSA-N -1 0 345.443 3.657 20 0 EHADRM CCC[C@H](CCc1ccccc1)NC(=O)C(C)(C)SCC(=O)[O-] ZINC000872940725 1137586703 /nfs/dbraw/zinc/58/67/03/1137586703.db2.gz YMPLHOUIOZPHQX-OAHLLOKOSA-N -1 0 337.485 3.501 20 0 EHADRM Cc1ccc(C)c(C(=O)NC(C)(C)c2ccc(F)cc2)c1C(=O)[O-] ZINC000872949214 1137586937 /nfs/dbraw/zinc/58/69/37/1137586937.db2.gz KYOOFIDUJGBWJW-UHFFFAOYSA-N -1 0 329.371 3.806 20 0 EHADRM C[C@H](c1nc2ccccc2s1)N(C)C(=O)C1=C(C(=O)[O-])CCCC1 ZINC000872956921 1137586975 /nfs/dbraw/zinc/58/69/75/1137586975.db2.gz WAHUTJPPGCKHDG-LLVKDONJSA-N -1 0 344.436 3.771 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)N1CCC[C@H]1CCCc1ccccc1 ZINC000872972670 1137587353 /nfs/dbraw/zinc/58/73/53/1137587353.db2.gz CEEZQCARRYXKFW-MRXNPFEDSA-N -1 0 349.496 3.597 20 0 EHADRM Cc1ccc(NC(=O)[C@H](C)O[C@H](C)C(=O)[O-])cc1-c1ccsc1 ZINC000873003990 1137587917 /nfs/dbraw/zinc/58/79/17/1137587917.db2.gz FUZWWDKSZBQEMM-NWDGAFQWSA-N -1 0 333.409 3.540 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000874409519 1137613789 /nfs/dbraw/zinc/61/37/89/1137613789.db2.gz OTNRNRKTJSXAET-KRWDZBQOSA-N -1 0 342.370 3.571 20 0 EHADRM Cc1csc([C@H]2CCN(C(=O)c3cc(F)c([O-])c(Cl)c3)C2)n1 ZINC000874497765 1137616322 /nfs/dbraw/zinc/61/63/22/1137616322.db2.gz PKUACCAIVVWUQL-VIFPVBQESA-N -1 0 340.807 3.579 20 0 EHADRM Cc1ccc(-c2cc(C(=O)[N-]c3nc(C(C)C)ns3)on2)cc1 ZINC000874697457 1137621499 /nfs/dbraw/zinc/62/14/99/1137621499.db2.gz PVERQLICMMJFPE-UHFFFAOYSA-N -1 0 328.397 3.877 20 0 EHADRM O=Cc1ccc(-c2ccccc2[C@@H](O)CC(=O)[O-])cc1C(F)(F)F ZINC000874970250 1137627227 /nfs/dbraw/zinc/62/72/27/1137627227.db2.gz NWEQNLCNKYDJBK-HNNXBMFYSA-N -1 0 338.281 3.693 20 0 EHADRM CCOc1cc(CC(=O)[O-])c(-c2cccc(C=O)c2)cc1OCC ZINC000874972703 1137627373 /nfs/dbraw/zinc/62/73/73/1137627373.db2.gz GTKCLRQLACLYES-UHFFFAOYSA-N -1 0 328.364 3.591 20 0 EHADRM Cc1nn(Cc2cccc(-c3ccc(C=O)cc3)c2)c(C)c1C(=O)[O-] ZINC000874971216 1137627382 /nfs/dbraw/zinc/62/73/82/1137627382.db2.gz WHFBQQNWBSHLPS-UHFFFAOYSA-N -1 0 334.375 3.726 20 0 EHADRM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ncc(Br)cc1[O-] ZINC001137109851 1137659477 /nfs/dbraw/zinc/65/94/77/1137659477.db2.gz HVSONIPVPVFRSR-CMPLNLGQSA-N -1 0 341.249 3.591 20 0 EHADRM Oc1ccccc1-c1nnc(CN2CCC[C@H]2c2cccs2)o1 ZINC000877902919 1137694895 /nfs/dbraw/zinc/69/48/95/1137694895.db2.gz IQVFUSCLKVCMJX-ZDUSSCGKSA-N -1 0 327.409 3.841 20 0 EHADRM O=C(Nc1nnc(-c2ccccc2)s1)c1cnc(CC2CC2)s1 ZINC000878070573 1137701247 /nfs/dbraw/zinc/70/12/47/1137701247.db2.gz HAHVDGQGIJHJKX-UHFFFAOYSA-N -1 0 342.449 3.866 20 0 EHADRM CC(C)NC(=O)Nc1ccccc1C(=O)Nc1ccc(O)c(Cl)c1 ZINC000129581035 1137825448 /nfs/dbraw/zinc/82/54/48/1137825448.db2.gz UATDNKFNQOQSOD-UHFFFAOYSA-N -1 0 347.802 3.828 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ncsc2C2CC2)c1 ZINC000882772532 1137833856 /nfs/dbraw/zinc/83/38/56/1137833856.db2.gz ZPHBDKVVXNPLKV-UHFFFAOYSA-N -1 0 328.846 3.783 20 0 EHADRM CC(C)(C)c1csc([N-]S(=O)(=O)/C=C\c2ccccc2F)n1 ZINC000800027051 1137894775 /nfs/dbraw/zinc/89/47/75/1137894775.db2.gz HWVBHASNIUOIHN-HJWRWDBZSA-N -1 0 340.445 3.992 20 0 EHADRM CCCc1nc(=NC(=O)N2CC[C@H](C)C[C@@H]2c2ccc(C)o2)s[n-]1 ZINC000331501178 1137910676 /nfs/dbraw/zinc/91/06/76/1137910676.db2.gz BHLBNSWTGZSWNL-WCQYABFASA-N -1 0 348.472 3.819 20 0 EHADRM O=S(=O)([N-]c1cc(C2CCCC2)[nH]n1)c1ccc(C(F)F)cc1 ZINC000331920686 1137925602 /nfs/dbraw/zinc/92/56/02/1137925602.db2.gz LYAAWBZCPOQRIC-UHFFFAOYSA-N -1 0 341.383 3.806 20 0 EHADRM CC(C)(C)C[C@H]1CCCN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000332179013 1137934632 /nfs/dbraw/zinc/93/46/32/1137934632.db2.gz UYZYUGATTPGXTB-OAHLLOKOSA-N -1 0 327.428 3.619 20 0 EHADRM CC(C)(C)C[C@@H]1CCCN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000332179012 1137934638 /nfs/dbraw/zinc/93/46/38/1137934638.db2.gz UYZYUGATTPGXTB-HNNXBMFYSA-N -1 0 327.428 3.619 20 0 EHADRM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C ZINC000332204683 1137935578 /nfs/dbraw/zinc/93/55/78/1137935578.db2.gz UADXXJZCWSSNPS-LLVKDONJSA-N -1 0 339.848 3.543 20 0 EHADRM CC(=O)c1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)cc1O ZINC000332380676 1137942171 /nfs/dbraw/zinc/94/21/71/1137942171.db2.gz GNLWAHWPYTWFIL-KDOFPFPSSA-N -1 0 337.419 3.861 20 0 EHADRM CCSCc1cccnc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000886445074 1138078568 /nfs/dbraw/zinc/07/85/68/1138078568.db2.gz UTUXOHHRRUVJCS-UHFFFAOYSA-N -1 0 348.493 3.624 20 0 EHADRM CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2cc(F)cc(F)c2[O-])C1(C)C ZINC001137234596 1138185239 /nfs/dbraw/zinc/18/52/39/1138185239.db2.gz NXXANKCHCHGWOW-HUUCEWRRSA-N -1 0 341.398 3.726 20 0 EHADRM Cc1ccc(C)c(C(=O)NCC[C@H]2CCCC2(F)F)c1C(=O)[O-] ZINC000887313820 1138262334 /nfs/dbraw/zinc/26/23/34/1138262334.db2.gz KHYYTOHHLVHJIH-GFCCVEGCSA-N -1 0 325.355 3.557 20 0 EHADRM CC(F)(F)c1ccc(C(=O)N[C@@H](CC(=O)[O-])C2CCCC2)cc1 ZINC000887328060 1138267382 /nfs/dbraw/zinc/26/73/82/1138267382.db2.gz JPNDNAUHBVWUHK-AWEZNQCLSA-N -1 0 325.355 3.562 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1 ZINC000887382619 1138294382 /nfs/dbraw/zinc/29/43/82/1138294382.db2.gz NAMRXWQESOIRBK-LBPRGKRZSA-N -1 0 336.285 3.586 20 0 EHADRM CC[C@H](NC(=O)c1ccc2oc(=S)[n-]c2c1)c1nc(C)cs1 ZINC000826571929 1138356371 /nfs/dbraw/zinc/35/63/71/1138356371.db2.gz LYMQIBSRNLZZLV-JTQLQIEISA-N -1 0 333.438 3.763 20 0 EHADRM Cc1csc(CN[C@@]2(C(=O)[O-])CCC(C)(C)c3ccccc32)n1 ZINC000336862905 1138417660 /nfs/dbraw/zinc/41/76/60/1138417660.db2.gz AMFYPHRVRTZCCI-SFHVURJKSA-N -1 0 330.453 3.593 20 0 EHADRM Cn1c2ccc(C(=O)Nc3cc(F)ccc3O)cc2nc1C(F)F ZINC000337034670 1138452905 /nfs/dbraw/zinc/45/29/05/1138452905.db2.gz FOPLYFAZRAYZOO-UHFFFAOYSA-N -1 0 335.285 3.608 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000132004242 1138556485 /nfs/dbraw/zinc/55/64/85/1138556485.db2.gz UEKXEAGMPGUSTJ-PSLXWICFSA-N -1 0 349.883 3.976 20 0 EHADRM CCc1cc(OC)ccc1CN=c1[n-]nc(-c2cc(C)oc2C)o1 ZINC000337668475 1138639600 /nfs/dbraw/zinc/63/96/00/1138639600.db2.gz RXOKOXIMQDLDIR-UHFFFAOYSA-N -1 0 327.384 3.551 20 0 EHADRM Cc1ccc(SCC(=O)N(CC(=O)[O-])c2ccccc2)c(C)c1 ZINC000337761328 1138661734 /nfs/dbraw/zinc/66/17/34/1138661734.db2.gz WPKJUAYXTFVUJV-UHFFFAOYSA-N -1 0 329.421 3.513 20 0 EHADRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000337773700 1138664630 /nfs/dbraw/zinc/66/46/30/1138664630.db2.gz WMLSGSVAUHNRRD-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM CO[C@H](C)c1nc(=N[C@H]2CC=C(c3ccc(F)cc3)CC2)s[n-]1 ZINC000337784715 1138667043 /nfs/dbraw/zinc/66/70/43/1138667043.db2.gz ANCKEAAMCRUGNZ-ABAIWWIYSA-N -1 0 333.432 3.855 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)s[n-]1 ZINC000337786343 1138667583 /nfs/dbraw/zinc/66/75/83/1138667583.db2.gz BMBBHWOXGJIGKM-JOYOIKCWSA-N -1 0 337.420 3.521 20 0 EHADRM O=C(c1cccc(F)c1[O-])N1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC000887784873 1138877852 /nfs/dbraw/zinc/87/78/52/1138877852.db2.gz UVANHYVHQHVVJP-HXUWFJFHSA-N -1 0 339.366 3.612 20 0 EHADRM Cc1ccc(CN(C)C(=O)N=c2nc(-c3sccc3C)[n-]s2)o1 ZINC000338421600 1138906494 /nfs/dbraw/zinc/90/64/94/1138906494.db2.gz DLRWDRJEZJJTRN-UHFFFAOYSA-N -1 0 348.453 3.562 20 0 EHADRM CN(Cc1nc2c(s1)CCCC2)C(=O)c1ccc([O-])c(Cl)c1 ZINC000174991355 1139455655 /nfs/dbraw/zinc/45/56/55/1139455655.db2.gz UJWRUUFXDJCFKH-UHFFFAOYSA-N -1 0 336.844 3.653 20 0 EHADRM C[C@H]1CN(C(=O)CSc2n[n-]c(=S)s2)[C@@H]1c1ccccc1 ZINC000176481528 1139559595 /nfs/dbraw/zinc/55/95/95/1139559595.db2.gz PZXGSTMVNVBDPI-CABZTGNLSA-N -1 0 337.495 3.512 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)[C@H]2CCCC(C)(C)C2)c1Cl ZINC000777352423 1139799269 /nfs/dbraw/zinc/79/92/69/1139799269.db2.gz PFHLGWOZTALEOP-LBPRGKRZSA-N -1 0 343.876 3.670 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CC[C@H](CSc3ccccc3)C2)C1 ZINC000180026108 1139801598 /nfs/dbraw/zinc/80/15/98/1139801598.db2.gz LOIJUUXDGQITOU-XHSDSOJGSA-N -1 0 347.480 3.518 20 0 EHADRM Cc1cc(/C=C\C(=O)N[C@@H](C)CCC(=O)[O-])c(C)n1C1CCCCC1 ZINC000777377157 1139924118 /nfs/dbraw/zinc/92/41/18/1139924118.db2.gz ICGHBYZDDUAFDF-BMSUMIBZSA-N -1 0 346.471 3.993 20 0 EHADRM CC[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1nc(C)cs1 ZINC000184380157 1140100035 /nfs/dbraw/zinc/10/00/35/1140100035.db2.gz UUJBZROGVXZOLB-NSHDSACASA-N -1 0 328.796 3.831 20 0 EHADRM Cc1nc(CC(C)C)c(NC(=O)c2cc(F)c([O-])c(F)c2)s1 ZINC000186866586 1140225906 /nfs/dbraw/zinc/22/59/06/1140225906.db2.gz OSPAYAHBTZIVLT-UHFFFAOYSA-N -1 0 326.368 3.886 20 0 EHADRM COCCC1(CNC(=O)c2cc(F)c(F)c([O-])c2F)CCCCC1 ZINC000187481127 1140257081 /nfs/dbraw/zinc/25/70/81/1140257081.db2.gz BBGNOSLKQBGTQG-UHFFFAOYSA-N -1 0 345.361 3.526 20 0 EHADRM Cc1occc1S([O-])=CC(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000189626342 1140356044 /nfs/dbraw/zinc/35/60/44/1140356044.db2.gz RVQHPNPUFBVBQU-HJPURHCSSA-N -1 0 333.453 3.599 20 0 EHADRM CCC[C@@H](CCc1ccccc1)NC(=O)C1CCC(C(=O)[O-])CC1 ZINC000194422495 1140608633 /nfs/dbraw/zinc/60/86/33/1140608633.db2.gz FZKVCRJTJYSJSR-ABHNRTSZSA-N -1 0 331.456 3.795 20 0 EHADRM O=C(CC(c1ccccc1)c1ccccc1)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000194455150 1140610473 /nfs/dbraw/zinc/61/04/73/1140610473.db2.gz IWNDIBZLQNWXPH-ZWKOTPCHSA-N -1 0 337.419 3.578 20 0 EHADRM CO[C@@H](C)c1nc(=NC(=O)N(C)[C@@H](C)c2ccc(C)cc2C)s[n-]1 ZINC000350655857 1140692303 /nfs/dbraw/zinc/69/23/03/1140692303.db2.gz XVMQDUBOMJHVAX-STQMWFEESA-N -1 0 348.472 3.509 20 0 EHADRM O=C(Nc1cc(Cl)cc(Br)c1[O-])[C@H]1CCCS1 ZINC000267401456 1140787533 /nfs/dbraw/zinc/78/75/33/1140787533.db2.gz ZXCHWZQTMXOXSH-SECBINFHSA-N -1 0 336.638 3.642 20 0 EHADRM O=C(c1s[n-]c(=O)c1Cl)N(Cc1ccco1)Cc1ccccc1 ZINC000339247541 1141539397 /nfs/dbraw/zinc/53/93/97/1141539397.db2.gz TXZUVOZNOVXJLU-UHFFFAOYSA-N -1 0 348.811 3.938 20 0 EHADRM Cc1cc2cc(CNC(=O)CC3(CC(=O)[O-])CCCC3)ccc2[nH]1 ZINC000349010904 1141622073 /nfs/dbraw/zinc/62/20/73/1141622073.db2.gz UFIOWLDYKNGWPI-UHFFFAOYSA-N -1 0 328.412 3.518 20 0 EHADRM O=C([O-])c1ccc(-n2cc(-c3cccc(C(F)(F)F)c3)nn2)cc1 ZINC000040835230 213391686 /nfs/dbraw/zinc/39/16/86/213391686.db2.gz AGOZGNSQFLJGFM-UHFFFAOYSA-N -1 0 333.269 3.651 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000023371274 212372163 /nfs/dbraw/zinc/37/21/63/212372163.db2.gz YXGVWOSNGYGGPC-UHFFFAOYSA-N -1 0 326.421 3.961 20 0 EHADRM O=S(=O)([N-]c1ccccc1OC(F)F)c1ccccc1Cl ZINC000005127093 210395471 /nfs/dbraw/zinc/39/54/71/210395471.db2.gz ZBFQDDJMEADRMR-UHFFFAOYSA-N -1 0 333.743 3.742 20 0 EHADRM CCc1cc(NC(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])no1 ZINC000608378523 479995708 /nfs/dbraw/zinc/99/57/08/479995708.db2.gz SHOMBVQQFUSXNP-UHFFFAOYSA-N -1 0 340.383 3.504 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)CSC(C)(C)C)cc1 ZINC000262062911 599847567 /nfs/dbraw/zinc/84/75/67/599847567.db2.gz BKQGHCQLYJSHQR-ZDUSSCGKSA-N -1 0 341.498 3.572 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N2CCSC3(CCCCC3)C2)c1 ZINC000819567795 596919328 /nfs/dbraw/zinc/91/93/28/596919328.db2.gz NTBNPQGNJWVRPW-UHFFFAOYSA-N -1 0 348.468 3.597 20 0 EHADRM C[C@H](NC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(Cl)c(Cl)c1 ZINC000262907361 596938206 /nfs/dbraw/zinc/93/82/06/596938206.db2.gz DKQWRWKMTILTGJ-VIFPVBQESA-N -1 0 345.226 3.561 20 0 EHADRM CN(CCC(=O)[O-])C(=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC000347997179 597010274 /nfs/dbraw/zinc/01/02/74/597010274.db2.gz MBWBLOPOTXUHTB-UHFFFAOYSA-N -1 0 346.433 3.572 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000610892064 597101712 /nfs/dbraw/zinc/10/17/12/597101712.db2.gz OLTZOTMQESMWRA-LBPRGKRZSA-N -1 0 347.436 3.623 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737745710 597184633 /nfs/dbraw/zinc/18/46/33/597184633.db2.gz XRHWLORMSYXDGS-RHSMWYFYSA-N -1 0 338.407 3.724 20 0 EHADRM C[C@H](CN(C)C(=O)Nc1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC000737668373 597188431 /nfs/dbraw/zinc/18/84/31/597188431.db2.gz PCJOHHZSSCDNEN-CQSZACIVSA-N -1 0 326.396 3.581 20 0 EHADRM CC[C@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)c1cc(F)ccc1F ZINC000737783669 597204409 /nfs/dbraw/zinc/20/44/09/597204409.db2.gz NUDHLPQQFLCXHH-INIZCTEOSA-N -1 0 348.349 3.865 20 0 EHADRM CCCN(C(=O)NCCCC(=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000263439948 597304966 /nfs/dbraw/zinc/30/49/66/597304966.db2.gz DIHLXUYPMMNASO-ZDUSSCGKSA-N -1 0 332.400 3.780 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818090041 597325922 /nfs/dbraw/zinc/32/59/22/597325922.db2.gz KVDSZCJWRKXLJB-WMLDXEAASA-N -1 0 338.407 3.724 20 0 EHADRM CCC[C@@H](NC(=O)Nc1ccccc1CC(=O)[O-])c1ccccc1 ZINC000818157035 597341557 /nfs/dbraw/zinc/34/15/57/597341557.db2.gz KKTHIQSXWBVJLV-MRXNPFEDSA-N -1 0 326.396 3.977 20 0 EHADRM Cc1ccc(C)c([C@H](C)N(C)C(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC000414632462 598141333 /nfs/dbraw/zinc/14/13/33/598141333.db2.gz XXURTYUALFQGQI-FHERZECASA-N -1 0 332.444 3.649 20 0 EHADRM O=C([O-])[C@@H](NCc1ccc(CSC(F)F)o1)c1ccccc1 ZINC000262716204 598219653 /nfs/dbraw/zinc/21/96/53/598219653.db2.gz SAEQJHCRUDPKEQ-ZDUSSCGKSA-N -1 0 327.352 3.651 20 0 EHADRM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000479436948 599703505 /nfs/dbraw/zinc/70/35/05/599703505.db2.gz JJOWSJHQHXYYLV-JTQLQIEISA-N -1 0 349.383 3.652 20 0 EHADRM CCc1cccc2c1OCC[C@@H]2Nc1nc(Cl)c(C(=O)[O-])s1 ZINC000737271572 599708702 /nfs/dbraw/zinc/70/87/02/599708702.db2.gz BTVFELKCRSLNNM-JTQLQIEISA-N -1 0 338.816 3.993 20 0 EHADRM CCCC[C@H](Sc1nnc(-c2ccco2)n1CC(C)C)C(=O)[O-] ZINC000736986663 599710532 /nfs/dbraw/zinc/71/05/32/599710532.db2.gz YCHUYPLWVWVUBG-ZDUSSCGKSA-N -1 0 337.445 3.930 20 0 EHADRM O=C([O-])[C@H](c1ccc(F)cc1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000516314660 599711515 /nfs/dbraw/zinc/71/15/15/599711515.db2.gz AQLRAFOWCNLTRL-IRXDYDNUSA-N -1 0 349.789 3.678 20 0 EHADRM O=C([O-])[C@H](CNC(=O)CCCC1CCCCC1)Cc1ccc(O)cc1 ZINC000739236256 599716879 /nfs/dbraw/zinc/71/68/79/599716879.db2.gz OVYPZVZBACIOSL-KRWDZBQOSA-N -1 0 347.455 3.502 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)Nc1cccc(C(=O)[O-])c1O ZINC000736891562 599717760 /nfs/dbraw/zinc/71/77/60/599717760.db2.gz OPKDNLYCJRTXDN-LBPRGKRZSA-N -1 0 343.379 3.621 20 0 EHADRM CSc1ccc(CNC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000738209933 599718384 /nfs/dbraw/zinc/71/83/84/599718384.db2.gz CNNCUTKHNVFKDC-UHFFFAOYSA-N -1 0 349.387 3.959 20 0 EHADRM O=C([O-])NCCC(=O)N(Cc1ccccc1)c1ccc(Cl)cc1 ZINC000739939743 599724757 /nfs/dbraw/zinc/72/47/57/599724757.db2.gz LJHCFWZDIDGQSD-UHFFFAOYSA-N -1 0 332.787 3.531 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1C(=O)O[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000739554350 599729408 /nfs/dbraw/zinc/72/94/08/599729408.db2.gz BUOWLTXUOWBGRJ-BZUAXINKSA-N -1 0 330.767 3.693 20 0 EHADRM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)CCCN(C)C(=O)[O-] ZINC000736716835 599731211 /nfs/dbraw/zinc/73/12/11/599731211.db2.gz IOXZVJDLXHKYAJ-NSHDSACASA-N -1 0 346.349 3.615 20 0 EHADRM CN(CCCC(=O)N[C@H](c1ccccc1)C1CCCCC1)C(=O)[O-] ZINC000737423376 599733649 /nfs/dbraw/zinc/73/36/49/599733649.db2.gz UNFZOUSPADISMR-GOSISDBHSA-N -1 0 332.444 3.814 20 0 EHADRM CC[C@H](NC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1)C1CCCCC1 ZINC000736909979 599737083 /nfs/dbraw/zinc/73/70/83/599737083.db2.gz CZDAIBVNMLIJFS-INIZCTEOSA-N -1 0 336.432 3.787 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000236946766 599745069 /nfs/dbraw/zinc/74/50/69/599745069.db2.gz LUJDMTRKHFKNBW-IUODEOHRSA-N -1 0 331.437 3.746 20 0 EHADRM Cc1nc(CC(C)C)sc1C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000738851310 599745446 /nfs/dbraw/zinc/74/54/46/599745446.db2.gz LAJFIRDNZCQSBO-UHFFFAOYSA-N -1 0 344.436 3.551 20 0 EHADRM CCc1ccc([C@H](C)C(=O)Nc2ccc(OCCC(=O)[O-])cc2)cc1 ZINC000236973061 599745539 /nfs/dbraw/zinc/74/55/39/599745539.db2.gz PMEVAZDADGRHHJ-AWEZNQCLSA-N -1 0 341.407 3.845 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)Nc2ccc(OC)cc2C(=O)[O-])cc1 ZINC000737257515 599745898 /nfs/dbraw/zinc/74/58/98/599745898.db2.gz QDGHNMCWPZYKHL-GFCCVEGCSA-N -1 0 327.380 3.698 20 0 EHADRM CCC/C=C\C(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC000736972923 599748348 /nfs/dbraw/zinc/74/83/48/599748348.db2.gz HRSTXFHRNROMCO-YWEYNIOJSA-N -1 0 330.409 3.727 20 0 EHADRM CCC(CC)(NC(=O)CCCN(C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000736895235 599749479 /nfs/dbraw/zinc/74/94/79/599749479.db2.gz YVRMOLRZFGIYNJ-UHFFFAOYSA-N -1 0 340.851 3.862 20 0 EHADRM Cc1csc([C@H]2CCCCN2C(=O)c2ccc(C(=O)[O-])s2)n1 ZINC000262656133 599751650 /nfs/dbraw/zinc/75/16/50/599751650.db2.gz STHXDOVHUJSVRG-SNVBAGLBSA-N -1 0 336.438 3.579 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000236964693 599763227 /nfs/dbraw/zinc/76/32/27/599763227.db2.gz FEBXYIUQRWHIPY-AGSIJNCFSA-N -1 0 344.238 3.712 20 0 EHADRM O=C([O-])c1cc(-c2csc(NC(=O)C3CCCCCC3)n2)c[nH]1 ZINC000740068936 599764210 /nfs/dbraw/zinc/76/42/10/599764210.db2.gz PELHRYFAQSACKH-UHFFFAOYSA-N -1 0 333.413 3.745 20 0 EHADRM Cc1cccc(COc2ccc([C@@H](C)NC(=O)CCC(=O)[O-])cc2)c1 ZINC000269956183 599764512 /nfs/dbraw/zinc/76/45/12/599764512.db2.gz RIMCRBZZCBTBSV-OAHLLOKOSA-N -1 0 341.407 3.616 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)nc1 ZINC000740111050 599766179 /nfs/dbraw/zinc/76/61/79/599766179.db2.gz QODDFHNLKUDMEN-MRXNPFEDSA-N -1 0 344.798 3.704 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc(CCC(=O)[O-])cc2)o1 ZINC000326951410 599767976 /nfs/dbraw/zinc/76/79/76/599767976.db2.gz JVSNADBTZNBDCC-CXAGYDPISA-N -1 0 341.407 3.992 20 0 EHADRM Cc1csc([C@H](C)Nc2nc(C)nc3sc(C(=O)[O-])c(C)c32)n1 ZINC000584234623 599767929 /nfs/dbraw/zinc/76/79/29/599767929.db2.gz MMBLISCCMBMMMO-QMMMGPOBSA-N -1 0 348.453 3.944 20 0 EHADRM CCc1[nH]c(C(=O)N(C)c2cccc(SC)c2)c(C)c1C(=O)[O-] ZINC000737238089 599768793 /nfs/dbraw/zinc/76/87/93/599768793.db2.gz SQUQEHHXSHBIQP-UHFFFAOYSA-N -1 0 332.425 3.582 20 0 EHADRM C[C@H](CNC(=O)/C=C\c1ccc(-c2ccccc2Cl)s1)C(=O)[O-] ZINC000736595345 599773676 /nfs/dbraw/zinc/77/36/76/599773676.db2.gz FQXQABMIAUXWBQ-GXMKHXEJSA-N -1 0 349.839 3.919 20 0 EHADRM C[C@@H](CNC(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)C(=O)[O-] ZINC000237612900 599773729 /nfs/dbraw/zinc/77/37/29/599773729.db2.gz FQXQABMIAUXWBQ-DJYGCBNOSA-N -1 0 349.839 3.919 20 0 EHADRM CC[C@H](C)[C@@H](C)N(C(=O)Cn1cc(C(=O)[O-])c2ccccc21)C1CC1 ZINC000736871996 599774957 /nfs/dbraw/zinc/77/49/57/599774957.db2.gz YNGGGDFZZCRWAN-UONOGXRCSA-N -1 0 342.439 3.765 20 0 EHADRM CCc1csc(NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])n1 ZINC000737274452 599776953 /nfs/dbraw/zinc/77/69/53/599776953.db2.gz JYPQRCXJAQQFRL-SECBINFHSA-N -1 0 336.438 3.523 20 0 EHADRM C[C@@H](CNC(=O)c1sc2cc(Cl)ccc2c1Cl)C(=O)[O-] ZINC000054310346 599777172 /nfs/dbraw/zinc/77/71/72/599777172.db2.gz QYJFMWSZVNJFPM-LURJTMIESA-N -1 0 332.208 3.659 20 0 EHADRM CCCC[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000736984716 599789058 /nfs/dbraw/zinc/78/90/58/599789058.db2.gz JTLVLMXFXJIZJG-CJNGLKHVSA-N -1 0 334.416 3.630 20 0 EHADRM O=C([O-])c1ccccc1C(=O)OCCCOc1ccc(Cl)cc1 ZINC000740241529 599789413 /nfs/dbraw/zinc/78/94/13/599789413.db2.gz KKWAGJUHHKKAOF-UHFFFAOYSA-N -1 0 334.755 3.664 20 0 EHADRM O=C(CS[C@H]1CCCc2ccccc21)NC1(C(=O)[O-])CCCCC1 ZINC000739337276 599804912 /nfs/dbraw/zinc/80/49/12/599804912.db2.gz JTFHPCWTWJXIID-INIZCTEOSA-N -1 0 347.480 3.701 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)c1cc(C)c(-c2ccc(F)cc2)s1 ZINC000236825412 599817148 /nfs/dbraw/zinc/81/71/48/599817148.db2.gz UUFDMQGMGYUCKS-UHFFFAOYSA-N -1 0 335.400 3.799 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)cc1 ZINC000739758396 599825073 /nfs/dbraw/zinc/82/50/73/599825073.db2.gz ALQRYMOETYACHH-SJORKVTESA-N -1 0 342.370 3.521 20 0 EHADRM Cc1[nH]c(C(=O)Nc2cc(C(F)(F)F)ccc2F)c(C)c1C(=O)[O-] ZINC000738155145 599826338 /nfs/dbraw/zinc/82/63/38/599826338.db2.gz CNKLEAWQXPBIKI-UHFFFAOYSA-N -1 0 344.264 3.740 20 0 EHADRM CN(C(=O)Nc1ccc(CCC(=O)[O-])cc1)[C@H]1CCc2ccccc21 ZINC000737331541 599827254 /nfs/dbraw/zinc/82/72/54/599827254.db2.gz YAFWUWQXDHMWOW-SFHVURJKSA-N -1 0 338.407 3.855 20 0 EHADRM Cc1ccccc1[C@H](C)NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000325364062 599828260 /nfs/dbraw/zinc/82/82/60/599828260.db2.gz AFCIRGXJIBVUTI-AWEZNQCLSA-N -1 0 326.396 3.895 20 0 EHADRM O=C([O-])/C(=C\c1csc(-c2ccc(F)cc2)n1)c1ccncc1 ZINC000739488903 599831473 /nfs/dbraw/zinc/83/14/73/599831473.db2.gz CUDIYCMZZJSZDP-DHDCSXOGSA-N -1 0 326.352 3.969 20 0 EHADRM CC(C)c1cccc(O[C@H](C)C(=O)N(C)c2ccccc2C(=O)[O-])c1 ZINC000736703531 599837388 /nfs/dbraw/zinc/83/73/88/599837388.db2.gz HQYKGINFUCQOGH-CQSZACIVSA-N -1 0 341.407 3.939 20 0 EHADRM CN(C(=O)CSCCCc1ccccc1)c1ccccc1C(=O)[O-] ZINC000737323389 599837815 /nfs/dbraw/zinc/83/78/15/599837815.db2.gz QDWSTWMEHOISMA-UHFFFAOYSA-N -1 0 343.448 3.714 20 0 EHADRM COc1ccc(S[C@@H](C)C(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC000738069135 599837823 /nfs/dbraw/zinc/83/78/23/599837823.db2.gz IUWZNRBUNZIXTM-LBPRGKRZSA-N -1 0 345.420 3.537 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)Cc1ccccc1C(F)(F)F ZINC000740189659 599841002 /nfs/dbraw/zinc/84/10/02/599841002.db2.gz QBVWLKCAHOIGFP-UHFFFAOYSA-N -1 0 349.308 3.535 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OC(=O)Cc1ccccc1C(F)(F)F ZINC000738541345 599841834 /nfs/dbraw/zinc/84/18/34/599841834.db2.gz RDVFTKMUZDPPNP-UHFFFAOYSA-N -1 0 338.281 3.860 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000740066245 599842744 /nfs/dbraw/zinc/84/27/44/599842744.db2.gz OYHCCGDUOIMYFS-NWDGAFQWSA-N -1 0 333.746 3.920 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000740066243 599842789 /nfs/dbraw/zinc/84/27/89/599842789.db2.gz OYHCCGDUOIMYFS-NEPJUHHUSA-N -1 0 333.746 3.920 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)[C@@H]1CCOc2ccccc21 ZINC000390551434 599843429 /nfs/dbraw/zinc/84/34/29/599843429.db2.gz KGOUXRCBOFZXFY-GFCCVEGCSA-N -1 0 331.755 3.543 20 0 EHADRM CCc1ccsc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC000262205819 599844875 /nfs/dbraw/zinc/84/48/75/599844875.db2.gz RKNYYDFOZQZKIY-AWEZNQCLSA-N -1 0 349.477 3.978 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)C=C2CCCCC2)cc1 ZINC000738201240 599845285 /nfs/dbraw/zinc/84/52/85/599845285.db2.gz OJBDJTAMCAVZKB-MRXNPFEDSA-N -1 0 333.453 3.931 20 0 EHADRM Cc1nc2cc(F)ccc2cc1C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000738873461 599845400 /nfs/dbraw/zinc/84/54/00/599845400.db2.gz UGVIXQXVXOXPIA-UHFFFAOYSA-N -1 0 342.301 3.772 20 0 EHADRM CN(CC(=O)Nc1cc2ccccc2cc1C(=O)[O-])c1ccccc1 ZINC000737394252 599849862 /nfs/dbraw/zinc/84/98/62/599849862.db2.gz CHELJFMOURIGOW-UHFFFAOYSA-N -1 0 334.375 3.613 20 0 EHADRM COc1ccc(COCCOc2cc(Cl)ccc2C(=O)[O-])cc1 ZINC000738010325 599854743 /nfs/dbraw/zinc/85/47/43/599854743.db2.gz GORUNTSUCKBKBM-UHFFFAOYSA-N -1 0 336.771 3.642 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)CNc1cccc(F)c1C(=O)[O-] ZINC000736298861 599855611 /nfs/dbraw/zinc/85/56/11/599855611.db2.gz GJGRYGYASJMIKD-UHFFFAOYSA-N -1 0 344.386 3.872 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NCCc1csc(C(C)C)n1 ZINC000738535947 599862123 /nfs/dbraw/zinc/86/21/23/599862123.db2.gz TYNSYYFAQRKRFR-UHFFFAOYSA-N -1 0 347.440 3.637 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)OCc1ccccc1OC(F)F ZINC000740053813 599870520 /nfs/dbraw/zinc/87/05/20/599870520.db2.gz AJFCQGWKWHJQAF-UHFFFAOYSA-N -1 0 337.278 3.735 20 0 EHADRM C[C@H](OC(=O)CCCN(C)C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000736681116 599871622 /nfs/dbraw/zinc/87/16/22/599871622.db2.gz ABIBSLCKLVNWJT-VIFPVBQESA-N -1 0 334.199 3.988 20 0 EHADRM O=C([O-])c1coc(CNC2(c3ccc(Br)cc3)CC2)c1 ZINC000740267302 599874601 /nfs/dbraw/zinc/87/46/01/599874601.db2.gz GYAXBEUHVKQJTC-UHFFFAOYSA-N -1 0 336.185 3.519 20 0 EHADRM CCC[C@@H]1CCCC[C@H]1NC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000736975934 599881582 /nfs/dbraw/zinc/88/15/82/599881582.db2.gz VHSIPINNXUTORS-CZUORRHYSA-N -1 0 336.432 3.787 20 0 EHADRM CCOc1ccc2ccccc2c1COC(=O)[C@H](NC(=O)[O-])C(C)C ZINC000737209772 599884558 /nfs/dbraw/zinc/88/45/58/599884558.db2.gz FQMDZNYLMCKCOH-QGZVFWFLSA-N -1 0 345.395 3.574 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C/C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000492960778 599886714 /nfs/dbraw/zinc/88/67/14/599886714.db2.gz XZJPRPGJWJNKOO-XVJNWHFHSA-N -1 0 345.439 3.590 20 0 EHADRM CCc1ccc(C=Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)s1 ZINC000737260234 599886885 /nfs/dbraw/zinc/88/68/85/599886885.db2.gz GKVNLMALBYKRIT-VURMDHGXSA-N -1 0 326.377 3.828 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000736632584 599889573 /nfs/dbraw/zinc/88/95/73/599889573.db2.gz GHEDXLZSASEOPA-KDOFPFPSSA-N -1 0 340.423 3.823 20 0 EHADRM O=C([O-])c1cc(NC(=O)NC2(c3ccccc3)CC2)ccc1Cl ZINC000738512507 599891692 /nfs/dbraw/zinc/89/16/92/599891692.db2.gz VJCSBXFYTWOVMG-UHFFFAOYSA-N -1 0 330.771 3.849 20 0 EHADRM CC(C)[C@@H](NC(=O)NCCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000263169115 599894132 /nfs/dbraw/zinc/89/41/32/599894132.db2.gz CXHDQTCLBCZEMO-CQSZACIVSA-N -1 0 346.349 3.567 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)C[C@H](C)c2ccccc2OC)c1 ZINC000737939368 599896425 /nfs/dbraw/zinc/89/64/25/599896425.db2.gz GCFRDUWCFLLLML-LBPRGKRZSA-N -1 0 344.363 3.501 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000675966247 599901261 /nfs/dbraw/zinc/90/12/61/599901261.db2.gz KGIWENTWTKLKLK-GFCCVEGCSA-N -1 0 327.380 3.834 20 0 EHADRM CCOc1cccc([C@H](C)NC(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000737209644 599910286 /nfs/dbraw/zinc/91/02/86/599910286.db2.gz ADOMDQLQBGODNI-LBPRGKRZSA-N -1 0 328.368 3.666 20 0 EHADRM Cc1ccccc1C(C)(C)CNC(=O)c1cccc(NC(=O)[O-])c1 ZINC000738755715 599912443 /nfs/dbraw/zinc/91/24/43/599912443.db2.gz DELPWHKYUCJTBH-UHFFFAOYSA-N -1 0 326.396 3.793 20 0 EHADRM CC(C)(C)c1nc(CC(=O)Nc2cccc(NC(=O)[O-])c2)cs1 ZINC000736303433 599913539 /nfs/dbraw/zinc/91/35/39/599913539.db2.gz KVMLFVUDKVTFHG-UHFFFAOYSA-N -1 0 333.413 3.712 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)NCC2(c3ccc(Cl)cc3)CC2)c1 ZINC000740030481 599913738 /nfs/dbraw/zinc/91/37/38/599913738.db2.gz ZXRROCOWLVENOB-UHFFFAOYSA-N -1 0 344.798 3.892 20 0 EHADRM O=C([O-])c1ccc(C(=O)OCCc2ccccc2C(F)(F)F)s1 ZINC000740120001 599913989 /nfs/dbraw/zinc/91/39/89/599913989.db2.gz AJBBEAAXERIJOD-UHFFFAOYSA-N -1 0 344.310 3.865 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)ccc1C(=O)[O-] ZINC000237817247 599917065 /nfs/dbraw/zinc/91/70/65/599917065.db2.gz JMARJFUQPMDFRP-LBPRGKRZSA-N -1 0 345.782 3.536 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)C2(c3ccccc3)CC2)c1 ZINC000238077923 599923296 /nfs/dbraw/zinc/92/32/96/599923296.db2.gz AIWCBTXLWIYWLA-UHFFFAOYSA-N -1 0 341.432 3.675 20 0 EHADRM C[C@@H](NC(=S)N[C@H](CCC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000736660678 599926885 /nfs/dbraw/zinc/92/68/85/599926885.db2.gz NVWKVSLQNXITRH-RHSMWYFYSA-N -1 0 342.464 3.818 20 0 EHADRM CC(C)Oc1ccccc1C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000736494176 599928680 /nfs/dbraw/zinc/92/86/80/599928680.db2.gz IPXJVUIWABWOQX-UHFFFAOYSA-N -1 0 328.368 3.840 20 0 EHADRM COc1ccccc1[C@@H]1CCCCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000649455167 599929491 /nfs/dbraw/zinc/92/94/91/599929491.db2.gz IFRYIZJRLIFBQI-KRWDZBQOSA-N -1 0 339.391 3.761 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2CCC[C@@H]2c2cccc(F)c2)c1 ZINC000740027426 599932746 /nfs/dbraw/zinc/93/27/46/599932746.db2.gz UGNGVOCANMOLET-MRXNPFEDSA-N -1 0 328.343 3.893 20 0 EHADRM Cc1nc2ccccc2cc1C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000738873770 599934682 /nfs/dbraw/zinc/93/46/82/599934682.db2.gz AAUTYYFHFVIICA-LJQANCHMSA-N -1 0 348.402 3.879 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)Cc1ccccc1Cl)c1ccccc1 ZINC000193450744 599937041 /nfs/dbraw/zinc/93/70/41/599937041.db2.gz NBEPWFDHESHHKM-MRXNPFEDSA-N -1 0 331.799 3.605 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)/C=C\c1cccc(F)c1)c1ccccc1 ZINC000255891158 599937826 /nfs/dbraw/zinc/93/78/26/599937826.db2.gz YTKHLWHMNKPVHY-CCCPALQASA-N -1 0 327.355 3.561 20 0 EHADRM CC(C)CO[C@@H](C)C(=O)OCc1c2ccccc2sc1C(=O)[O-] ZINC000736444215 599944132 /nfs/dbraw/zinc/94/41/32/599944132.db2.gz QBYSLAMWLNXVPJ-NSHDSACASA-N -1 0 336.409 3.704 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@@H](C)c1csc2ccccc21 ZINC000736422979 599951005 /nfs/dbraw/zinc/95/10/05/599951005.db2.gz RSTRUXVJZVABJS-FZMZJTMJSA-N -1 0 334.441 3.761 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@@H](OC2CCCC2)c2ccccc2)o1 ZINC000740132756 599969318 /nfs/dbraw/zinc/96/93/18/599969318.db2.gz GAFTZVHVLPKGHB-KRWDZBQOSA-N -1 0 344.363 3.722 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1 ZINC000740042768 599994613 /nfs/dbraw/zinc/99/46/13/599994613.db2.gz LMMPLLXMJMUAMO-QWHCGFSZSA-N -1 0 332.306 3.797 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000738542368 599995898 /nfs/dbraw/zinc/99/58/98/599995898.db2.gz XXUGJBIWYYMUTQ-OLZOCXBDSA-N -1 0 332.302 3.681 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCc3c(Cl)ccc(F)c32)s1 ZINC000740109467 599998106 /nfs/dbraw/zinc/99/81/06/599998106.db2.gz LZPYOFWXZBVKCP-UHFFFAOYSA-N -1 0 339.775 3.832 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)/C=C/Sc2ccccc2)c1 ZINC000737934923 599999102 /nfs/dbraw/zinc/99/91/02/599999102.db2.gz JYNHARDFQCASBA-MDZDMXLPSA-N -1 0 329.377 3.638 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@H](C)SCc2ccccc2)c1 ZINC000737931896 599999916 /nfs/dbraw/zinc/99/99/16/599999916.db2.gz OCFIYEGZGSPCBI-LBPRGKRZSA-N -1 0 345.420 3.654 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000737734949 600000339 /nfs/dbraw/zinc/00/03/39/600000339.db2.gz QVKNFAMFKUNGBF-CYBMUJFWSA-N -1 0 342.395 3.756 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)c1 ZINC000737734883 600000452 /nfs/dbraw/zinc/00/04/52/600000452.db2.gz PVGWDOOLMMMTPI-NSHDSACASA-N -1 0 346.383 3.658 20 0 EHADRM Cn1ccc2c1cccc2NC(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000738408369 600001050 /nfs/dbraw/zinc/00/10/50/600001050.db2.gz SWMAOKIOLNTYRQ-MRXNPFEDSA-N -1 0 337.379 3.516 20 0 EHADRM Cc1ccc(F)c(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)c1 ZINC000738604420 600007105 /nfs/dbraw/zinc/00/71/05/600007105.db2.gz SAHCELGXIVJKJW-UHFFFAOYSA-N -1 0 342.370 3.685 20 0 EHADRM Cc1cccc(N(C)C(=O)c2ccccc2S[C@H](C)C(=O)[O-])c1 ZINC000237367668 600008771 /nfs/dbraw/zinc/00/87/71/600008771.db2.gz NXBQDZGZDDHMFZ-CYBMUJFWSA-N -1 0 329.421 3.837 20 0 EHADRM CCCN(C[C@H]1CCCCO1)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000737019882 600011357 /nfs/dbraw/zinc/01/13/57/600011357.db2.gz OTDJIOVHSRKCGG-OAHLLOKOSA-N -1 0 334.416 3.506 20 0 EHADRM Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2cccc(C(=O)[O-])c2)s1 ZINC000738843768 600011600 /nfs/dbraw/zinc/01/16/00/600011600.db2.gz AZHOGBBSWBLWGG-JTQLQIEISA-N -1 0 333.413 3.683 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000324655623 600011908 /nfs/dbraw/zinc/01/19/08/600011908.db2.gz YSYRDSNZAKKZJI-UHFFFAOYSA-N -1 0 334.297 3.912 20 0 EHADRM Cc1cc(NC(=O)N[C@H]2CCc3c2cccc3F)ccc1C(=O)[O-] ZINC000738443700 600012745 /nfs/dbraw/zinc/01/27/45/600012745.db2.gz XGDSRGIMIMPWKN-INIZCTEOSA-N -1 0 328.343 3.641 20 0 EHADRM COc1ccc(CN(C)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1F ZINC000737995412 600017542 /nfs/dbraw/zinc/01/75/42/600017542.db2.gz RLAAUJPWSBQYHG-UHFFFAOYSA-N -1 0 346.358 3.505 20 0 EHADRM O=C([O-])C1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000263137068 600019704 /nfs/dbraw/zinc/01/97/04/600019704.db2.gz ZHEAQVUQUGVAIN-OPQOLIRYSA-N -1 0 344.455 3.655 20 0 EHADRM C[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000736784427 600020760 /nfs/dbraw/zinc/02/07/60/600020760.db2.gz IXYRQOTWOGYFBW-IUODEOHRSA-N -1 0 336.457 3.705 20 0 EHADRM CCC(CC)(NC(=O)c1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000736892865 600024658 /nfs/dbraw/zinc/02/46/58/600024658.db2.gz DKTHHMUCGBLUKH-UHFFFAOYSA-N -1 0 346.814 3.879 20 0 EHADRM CCc1ccccc1NC(=O)NC[C@H](Cc1cccc(C)c1)C(=O)[O-] ZINC000737274031 600025373 /nfs/dbraw/zinc/02/53/73/600025373.db2.gz GODPJQMIPFKISU-KRWDZBQOSA-N -1 0 340.423 3.622 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000736762827 600026716 /nfs/dbraw/zinc/02/67/16/600026716.db2.gz MAYQZHOJCYBKTE-ZTFGCOKTSA-N -1 0 348.439 3.697 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000739887815 600027200 /nfs/dbraw/zinc/02/72/00/600027200.db2.gz ASQBCWMOXKFPET-UHFFFAOYSA-N -1 0 325.147 3.840 20 0 EHADRM O=C([O-])C1CCC(NC(=O)N2CCC[C@@H]2CC2CCCCC2)CC1 ZINC000263486383 600027567 /nfs/dbraw/zinc/02/75/67/600027567.db2.gz PPKSPAWQOXBABW-OFLPRAFFSA-N -1 0 336.476 3.774 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000739889325 600029164 /nfs/dbraw/zinc/02/91/64/600029164.db2.gz RPEAWSCYBRVOEA-UHFFFAOYSA-N -1 0 339.174 3.769 20 0 EHADRM COc1ccc(NC(=O)CCc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000237290181 600032811 /nfs/dbraw/zinc/03/28/11/600032811.db2.gz OKJPSQXUSJVXMA-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Nc2ccc(-c3cnco3)cc2)cc1 ZINC000191570666 600039963 /nfs/dbraw/zinc/03/99/63/600039963.db2.gz NAQIAYZARVFZOJ-UHFFFAOYSA-N -1 0 336.347 3.611 20 0 EHADRM CCOc1ccc(NC(=O)CCc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000192924751 600040052 /nfs/dbraw/zinc/04/00/52/600040052.db2.gz CBCDPXMIVAUHOW-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM C[C@H](c1ccco1)N(C(=O)CCc1ccc(C(=O)[O-])cc1)C1CC1 ZINC000237432279 600040842 /nfs/dbraw/zinc/04/08/42/600040842.db2.gz QLXSGPVMGXFVQR-CYBMUJFWSA-N -1 0 327.380 3.663 20 0 EHADRM CCOc1cccc([C@@H](C)NC(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000236971775 600041559 /nfs/dbraw/zinc/04/15/59/600041559.db2.gz OIHKLBRKTMPPBB-CQSZACIVSA-N -1 0 341.407 3.594 20 0 EHADRM CC(C)[C@H](SCc1ccccc1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000262086299 600051329 /nfs/dbraw/zinc/05/13/29/600051329.db2.gz LCQYLCWAJZGUHS-JCYILVPMSA-N -1 0 349.496 3.704 20 0 EHADRM O=C([O-])c1coc(CSc2cc3c(cc2Cl)OCCO3)c1 ZINC000740268702 600056681 /nfs/dbraw/zinc/05/66/81/600056681.db2.gz DZUKTZMFKVCIJA-UHFFFAOYSA-N -1 0 326.757 3.695 20 0 EHADRM Cc1nnc(SCc2ccc(F)cc2C(=O)[O-])n1-c1ccccc1 ZINC000738932169 600058122 /nfs/dbraw/zinc/05/81/22/600058122.db2.gz QYMCVEBPDCZHAB-UHFFFAOYSA-N -1 0 343.383 3.705 20 0 EHADRM CC[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000236933733 600060892 /nfs/dbraw/zinc/06/08/92/600060892.db2.gz QBHZFSJBVVDKSD-QAPCUYQASA-N -1 0 325.408 3.903 20 0 EHADRM CC(C)(C(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccccc1Cl ZINC000499198438 600061972 /nfs/dbraw/zinc/06/19/72/600061972.db2.gz VUUIHXFZCSBGEP-UHFFFAOYSA-N -1 0 347.798 3.720 20 0 EHADRM COc1ccc(NC(=O)c2cc3cc(F)ccc3s2)c(C(=O)[O-])c1 ZINC000325770474 600072521 /nfs/dbraw/zinc/07/25/21/600072521.db2.gz KPMFQMNOLDPJGZ-UHFFFAOYSA-N -1 0 345.351 4.000 20 0 EHADRM C/C(=C/C(=O)N[C@H](C(=O)[O-])c1ccccc1)c1ccccc1Cl ZINC000236662589 600079344 /nfs/dbraw/zinc/07/93/44/600079344.db2.gz KLGQSCYMXNORKT-CPFIRTDXSA-N -1 0 329.783 3.685 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OCc1nc(-c2ccccc2)no1 ZINC000320566132 600080193 /nfs/dbraw/zinc/08/01/93/600080193.db2.gz VCSZUHKNIIFYDS-UHFFFAOYSA-N -1 0 330.727 3.667 20 0 EHADRM O=C([O-])c1cc(F)ccc1CN1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000517588587 600086688 /nfs/dbraw/zinc/08/66/88/600086688.db2.gz NJGUFHGTUNBWLH-QGZVFWFLSA-N -1 0 349.789 3.751 20 0 EHADRM C[C@@H](c1nnc(-c2cccs2)o1)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736729165 600089250 /nfs/dbraw/zinc/08/92/50/600089250.db2.gz XCMZOWACRQRHAT-JTQLQIEISA-N -1 0 341.392 3.573 20 0 EHADRM COc1ccc(Cl)cc1C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000738015911 600090829 /nfs/dbraw/zinc/09/08/29/600090829.db2.gz LNHSCFQZKICHDM-UHFFFAOYSA-N -1 0 338.722 3.830 20 0 EHADRM Cc1[nH]c(C(=O)CN(CC(C)C)c2ccccc2)c(C)c1C(=O)[O-] ZINC000738233362 600091434 /nfs/dbraw/zinc/09/14/34/600091434.db2.gz HPKADBOINHCRCE-UHFFFAOYSA-N -1 0 328.412 3.675 20 0 EHADRM O=C([O-])CCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000739656848 600092410 /nfs/dbraw/zinc/09/24/10/600092410.db2.gz UKHLKGPPCGEBPH-INIZCTEOSA-N -1 0 337.847 3.812 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)OCc2c(F)cccc2Cl)cc1 ZINC000739261448 600092928 /nfs/dbraw/zinc/09/29/28/600092928.db2.gz SGCFXKNIYWBZFA-UHFFFAOYSA-N -1 0 336.746 3.853 20 0 EHADRM CSCc1cccc(NC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c1 ZINC000738146841 600097770 /nfs/dbraw/zinc/09/77/70/600097770.db2.gz ODFNIHMXNCOBHM-INIZCTEOSA-N -1 0 344.436 3.887 20 0 EHADRM Cc1oc(CN2CCO[C@H](c3ccccc3Cl)C2)cc1C(=O)[O-] ZINC000571812110 600102747 /nfs/dbraw/zinc/10/27/47/600102747.db2.gz YJAWWRPKEHAOPZ-INIZCTEOSA-N -1 0 335.787 3.513 20 0 EHADRM O=C([O-])c1ccc(CCc2nc(Cc3ccc(Cl)cc3)no2)cc1 ZINC000740124416 600110853 /nfs/dbraw/zinc/11/08/53/600110853.db2.gz SONQSYCHSJROCC-UHFFFAOYSA-N -1 0 342.782 3.797 20 0 EHADRM C[C@@H](OC(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1)C(=O)[O-] ZINC000736690026 600110838 /nfs/dbraw/zinc/11/08/38/600110838.db2.gz LNHVLKGDSAYXCX-MRVPVSSYSA-N -1 0 342.319 3.646 20 0 EHADRM O=C([O-])c1ccc(CCc2nc(Cc3cccc(Cl)c3)no2)cc1 ZINC000740123721 600110928 /nfs/dbraw/zinc/11/09/28/600110928.db2.gz JTTPYSRMBSPQGA-UHFFFAOYSA-N -1 0 342.782 3.797 20 0 EHADRM CC(C)[C@@H](SCc1ccccc1)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000262465605 600113507 /nfs/dbraw/zinc/11/35/07/600113507.db2.gz RKFPFAIJGNQTNF-GOSISDBHSA-N -1 0 349.496 3.658 20 0 EHADRM CCOc1cc(NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)ccc1C ZINC000737190731 600114463 /nfs/dbraw/zinc/11/44/63/600114463.db2.gz ANNHGSUFRCLRJL-UHFFFAOYSA-N -1 0 340.379 3.640 20 0 EHADRM COc1cccc([C@@H]2C[C@@H]2c2nc(-c3ccc(C(=O)[O-])cc3)no2)c1 ZINC000738096001 600114807 /nfs/dbraw/zinc/11/48/07/600114807.db2.gz LMSMCYKXRGEQBB-HOTGVXAUSA-N -1 0 336.347 3.715 20 0 EHADRM COc1cc(Cl)ccc1C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000737889517 600116515 /nfs/dbraw/zinc/11/65/15/600116515.db2.gz RKGYFSIEVITSOM-UHFFFAOYSA-N -1 0 338.718 3.543 20 0 EHADRM CC(C)[C@H]1CCC[C@@H](NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC000736394412 600120759 /nfs/dbraw/zinc/12/07/59/600120759.db2.gz GXUWEZXLKHVSPI-GOEBONIOSA-N -1 0 348.443 3.876 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)Nc1ccc2[nH]ccc2c1)c1cccs1 ZINC000739627095 600121272 /nfs/dbraw/zinc/12/12/72/600121272.db2.gz GQQALIKBAPLWLE-CYBMUJFWSA-N -1 0 329.381 3.567 20 0 EHADRM Cc1[nH]c(C(=O)NC(C)(C)c2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC000738156431 600123943 /nfs/dbraw/zinc/12/39/43/600123943.db2.gz RTEDYMUGXTXTQA-UHFFFAOYSA-N -1 0 334.803 3.648 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)CCSc1ccccc1 ZINC000736190089 600124374 /nfs/dbraw/zinc/12/43/74/600124374.db2.gz PQFOQQOBXLLQAQ-UHFFFAOYSA-N -1 0 344.388 3.675 20 0 EHADRM C[C@@H]1CCCN(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)C1 ZINC000736789794 600124874 /nfs/dbraw/zinc/12/48/74/600124874.db2.gz RECDKJQTQFYKBG-CYBMUJFWSA-N -1 0 336.457 3.658 20 0 EHADRM CC[C@@](NC(=O)CSc1ccccc1C)(C(=O)[O-])c1ccccc1 ZINC000485379629 600127768 /nfs/dbraw/zinc/12/77/68/600127768.db2.gz UFAWWLLSNCEQJL-IBGZPJMESA-N -1 0 343.448 3.593 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)Oc1ccc(C)cc1C(=O)[O-] ZINC000738119380 600131368 /nfs/dbraw/zinc/13/13/68/600131368.db2.gz FPWTZRWBNWVGMO-ACCUITESSA-N -1 0 326.348 3.711 20 0 EHADRM Cc1c(NC(=O)[C@H]2C[C@H]2c2ccc(N(C)C)cc2)cccc1C(=O)[O-] ZINC000738300886 600143049 /nfs/dbraw/zinc/14/30/49/600143049.db2.gz WUUMLLBUOWASTP-IRXDYDNUSA-N -1 0 338.407 3.501 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1sccc1SC(F)F)c1cccs1 ZINC000739369816 600147796 /nfs/dbraw/zinc/14/77/96/600147796.db2.gz BLJOGLNNXXBHFG-QMMMGPOBSA-N -1 0 349.405 3.680 20 0 EHADRM Cc1cc(NC(=O)Cc2ccccc2Br)ccc1C(=O)[O-] ZINC000237714423 600160950 /nfs/dbraw/zinc/16/09/50/600160950.db2.gz CZWHADHXBZBHPL-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)[C@@H]2CCc3ccccc32)c1 ZINC000262447025 600161069 /nfs/dbraw/zinc/16/10/69/600161069.db2.gz VQRLXJOIKQGTJT-QGZVFWFLSA-N -1 0 341.432 3.673 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N2CC[C@H](c3ccccc3F)C2)c1 ZINC000740229111 600172358 /nfs/dbraw/zinc/17/23/58/600172358.db2.gz WKCBWBLUVKCIJL-ZDUSSCGKSA-N -1 0 328.343 3.545 20 0 EHADRM CCN(C(=O)c1csc(-c2ccoc2)n1)c1ccccc1C(=O)[O-] ZINC000737062710 600178618 /nfs/dbraw/zinc/17/86/18/600178618.db2.gz UZSTTXANSBCTTK-UHFFFAOYSA-N -1 0 342.376 3.768 20 0 EHADRM Cc1c(CNC(=O)Nc2cc(C(=O)[O-])ccc2F)oc2ccccc12 ZINC000738288773 600181085 /nfs/dbraw/zinc/18/10/85/600181085.db2.gz HAVSPZXWJDCDQZ-UHFFFAOYSA-N -1 0 342.326 3.900 20 0 EHADRM CC[C@@H](CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000236932130 600187359 /nfs/dbraw/zinc/18/73/59/600187359.db2.gz UNKFLFQOCZSNDO-LBPRGKRZSA-N -1 0 342.351 3.815 20 0 EHADRM O=C([O-])CCCc1nc(CSCc2cccc(Cl)c2)no1 ZINC000739702704 600187696 /nfs/dbraw/zinc/18/76/96/600187696.db2.gz QTDXMZVWCWVBAN-UHFFFAOYSA-N -1 0 326.805 3.564 20 0 EHADRM CC(C)CC[C@@H](NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)C(C)(C)C ZINC000736429173 600189653 /nfs/dbraw/zinc/18/96/53/600189653.db2.gz SKJDTDGLNUTBKE-HUUCEWRRSA-N -1 0 338.492 3.734 20 0 EHADRM C/C(=C\C(=O)N[C@@H](CC(=O)[O-])c1ccccc1)c1cccc(F)c1 ZINC000732269789 600191183 /nfs/dbraw/zinc/19/11/83/600191183.db2.gz YJCPINJQQLCMET-RTGRKSDTSA-N -1 0 327.355 3.561 20 0 EHADRM Cc1oc(COC(=O)c2ccc(-c3ccccc3)[nH]2)cc1C(=O)[O-] ZINC000738980655 600191612 /nfs/dbraw/zinc/19/16/12/600191612.db2.gz HXSAPQSNXPMODQ-UHFFFAOYSA-N -1 0 325.320 3.638 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000675950193 600192054 /nfs/dbraw/zinc/19/20/54/600192054.db2.gz SFVMFEHKQQSMAP-JSGCOSHPSA-N -1 0 349.477 3.809 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000736618452 600192316 /nfs/dbraw/zinc/19/23/16/600192316.db2.gz QKDCWDAYBFFPBL-ZDUSSCGKSA-N -1 0 341.432 3.702 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)c(F)c1 ZINC000479560833 600198616 /nfs/dbraw/zinc/19/86/16/600198616.db2.gz ZVJMFOWQJIDMCE-MNOVXSKESA-N -1 0 335.281 3.544 20 0 EHADRM Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000343097917 600200673 /nfs/dbraw/zinc/20/06/73/600200673.db2.gz PZRGDNBOIUGMGE-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000325066125 600201630 /nfs/dbraw/zinc/20/16/30/600201630.db2.gz ZCNFXEZUJKXEGK-UHFFFAOYSA-N -1 0 331.274 3.970 20 0 EHADRM Cc1noc(Cl)c1CCC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000738951425 600202004 /nfs/dbraw/zinc/20/20/04/600202004.db2.gz WLLOOUHEQQQXQE-UHFFFAOYSA-N -1 0 343.166 3.559 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)O[C@H](C)c1ccc(OC(F)F)cc1 ZINC000736424545 600203207 /nfs/dbraw/zinc/20/32/07/600203207.db2.gz IHBJAIIAAVCZQG-MFKMUULPSA-N -1 0 345.342 3.575 20 0 EHADRM Cc1cccc([C@@H]2NC(=O)N(Cc3cccs3)C(C)=C2C(=O)[O-])c1 ZINC000736749395 600206050 /nfs/dbraw/zinc/20/60/50/600206050.db2.gz BKJBBPTZCIZAQP-INIZCTEOSA-N -1 0 342.420 3.682 20 0 EHADRM C[C@H](CC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)c1cccc(F)c1 ZINC000237582812 600206675 /nfs/dbraw/zinc/20/66/75/600206675.db2.gz FHPNARJHRHZZQC-QCPWZWHMSA-N -1 0 333.403 3.564 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000358612674 600207000 /nfs/dbraw/zinc/20/70/00/600207000.db2.gz QFIJKCXXQOPVTR-ATLSCFEFSA-N -1 0 329.440 3.733 20 0 EHADRM O=C([O-])c1sc(-c2ccccc2)cc1OCc1nc(C2CC2)no1 ZINC000740280746 600207535 /nfs/dbraw/zinc/20/75/35/600207535.db2.gz ZFNNVADNUVRPRT-UHFFFAOYSA-N -1 0 342.376 3.953 20 0 EHADRM CC(C)n1ncc2cc(CNc3cc(Cl)cc(C(=O)[O-])c3)cnc21 ZINC000736539564 600207647 /nfs/dbraw/zinc/20/76/47/600207647.db2.gz KFINFVRPWYWFKS-UHFFFAOYSA-N -1 0 344.802 3.976 20 0 EHADRM CC[C@H](CC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)C(C)C ZINC000736893376 600212088 /nfs/dbraw/zinc/21/20/88/600212088.db2.gz YZBJUEOSJYEKQW-SNVBAGLBSA-N -1 0 329.343 3.997 20 0 EHADRM CN(Cc1csc(Br)c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000042362854 600213145 /nfs/dbraw/zinc/21/31/45/600213145.db2.gz SANORSCIPOEFAY-CYBMUJFWSA-N -1 0 340.242 3.768 20 0 EHADRM CC(C)COc1ccccc1C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000736448125 600219667 /nfs/dbraw/zinc/21/96/67/600219667.db2.gz HGSNEFQTOOUVMA-MRXNPFEDSA-N -1 0 339.391 3.550 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)/C=C\c2ccc(Cl)cc2)c2ccccc21 ZINC000390843826 600219688 /nfs/dbraw/zinc/21/96/88/600219688.db2.gz CIXAQSTVXWUXPC-YYRKOSNBSA-N -1 0 327.767 3.568 20 0 EHADRM Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cc1-n1cccc1 ZINC000738503784 600225597 /nfs/dbraw/zinc/22/55/97/600225597.db2.gz AIIOOTQYQIKDDT-QGZVFWFLSA-N -1 0 346.386 3.614 20 0 EHADRM Cc1ccc(NC(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)cc1 ZINC000738627484 600235154 /nfs/dbraw/zinc/23/51/54/600235154.db2.gz LDWJEDKBLCOLGP-UHFFFAOYSA-N -1 0 336.294 3.939 20 0 EHADRM C[C@H](OC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(C(=O)[O-])o1 ZINC000736685820 600238557 /nfs/dbraw/zinc/23/85/57/600238557.db2.gz RFICHMWHIOXMST-GUBZILKMSA-N -1 0 336.290 3.664 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)N2CCC[C@H]2c2ccco2)cc1 ZINC000739740004 600241434 /nfs/dbraw/zinc/24/14/34/600241434.db2.gz RZJUTISJMDPAHQ-HNNXBMFYSA-N -1 0 344.367 3.502 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc(C(=O)[O-])c(C)c2)o1 ZINC000738583089 600242357 /nfs/dbraw/zinc/24/23/57/600242357.db2.gz NLJHOKLKJJDAEU-OAHLLOKOSA-N -1 0 328.368 3.964 20 0 EHADRM CC(C)(C(=O)NCCCCCCC(=O)[O-])c1cccc(Cl)c1 ZINC000236704657 600246560 /nfs/dbraw/zinc/24/65/60/600246560.db2.gz QBZHSPKLPHOPCZ-UHFFFAOYSA-N -1 0 325.836 3.769 20 0 EHADRM O=C([O-])c1cccc(OC(=O)c2cccc(Oc3nccs3)c2)c1 ZINC000738690277 600247417 /nfs/dbraw/zinc/24/74/17/600247417.db2.gz FWZUKIRUJNGHHF-UHFFFAOYSA-N -1 0 341.344 3.853 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1cc2ccccc2s1 ZINC000738087684 600251104 /nfs/dbraw/zinc/25/11/04/600251104.db2.gz AUIVOMXCYCCCNW-UHFFFAOYSA-N -1 0 328.345 3.827 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c(C(=O)[O-])[nH]1 ZINC000738553242 600256786 /nfs/dbraw/zinc/25/67/86/600256786.db2.gz VKNOGVNXDMXBTI-CYBMUJFWSA-N -1 0 344.411 3.859 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)c2ccc(-c3ccccc3)[nH]2)C(=O)[O-])cc1 ZINC000486415750 600259510 /nfs/dbraw/zinc/25/95/10/600259510.db2.gz ZHIRWXAPFFFGAJ-QGZVFWFLSA-N -1 0 348.402 3.588 20 0 EHADRM O=C([O-])[C@H]1CC12CCN(C(=O)c1cc3c(cccc3Cl)s1)CC2 ZINC000739533381 600264471 /nfs/dbraw/zinc/26/44/71/600264471.db2.gz BJWFVYGGYBHPNJ-LLVKDONJSA-N -1 0 349.839 3.882 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC000740229090 600267799 /nfs/dbraw/zinc/26/77/99/600267799.db2.gz WBINXGILJIALFL-AWEZNQCLSA-N -1 0 342.370 3.620 20 0 EHADRM Cc1c(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)sc2cccc(F)c12 ZINC000262505232 600267883 /nfs/dbraw/zinc/26/78/83/600267883.db2.gz ZIPONHFDRUKDOT-NSHDSACASA-N -1 0 347.411 3.676 20 0 EHADRM Cc1ccc(N2CCCC2)c(C(=O)OCc2cccc(C(=O)[O-])c2)c1 ZINC000738614242 600268422 /nfs/dbraw/zinc/26/84/22/600268422.db2.gz HNERCKKTZQBXFT-UHFFFAOYSA-N -1 0 339.391 3.650 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N3CCC4(C[C@@H]4C(=O)[O-])CC3)[nH]c2c1 ZINC000736521129 600269129 /nfs/dbraw/zinc/26/91/29/600269129.db2.gz KFYSXSSWMTWAMY-OAHLLOKOSA-N -1 0 340.423 3.618 20 0 EHADRM CN(CCCC(=O)OCCCc1cccc2ccccc21)C(=O)[O-] ZINC000737434762 600270337 /nfs/dbraw/zinc/27/03/37/600270337.db2.gz RWKXUYXIMKMRES-UHFFFAOYSA-N -1 0 329.396 3.706 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2[nH]c3ccccc3c2Cl)c2ccccc21 ZINC000439695443 600277702 /nfs/dbraw/zinc/27/77/02/600277702.db2.gz FGZWHUUTQZHHQX-GFCCVEGCSA-N -1 0 340.766 3.650 20 0 EHADRM Cc1cc(NC(=O)N[C@H](Cc2ccccc2)C2CC2)ccc1C(=O)[O-] ZINC000738443772 600278905 /nfs/dbraw/zinc/27/89/05/600278905.db2.gz YBMQIXGNPBVKRL-GOSISDBHSA-N -1 0 338.407 3.836 20 0 EHADRM COC[C@@H](NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1ccccc1 ZINC000737749279 600280761 /nfs/dbraw/zinc/28/07/61/600280761.db2.gz XVYXXWDEPSEQRD-OAHLLOKOSA-N -1 0 348.786 3.547 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N[C@H]2CCc3ccccc3C2)c1 ZINC000325363979 600280874 /nfs/dbraw/zinc/28/08/74/600280874.db2.gz IKBGNZZFTLWAQF-HNNXBMFYSA-N -1 0 344.798 3.717 20 0 EHADRM CN(Cc1ccc(NC(=O)/C=C\c2ccccc2F)cc1)C(=O)[O-] ZINC000737479072 600285775 /nfs/dbraw/zinc/28/57/75/600285775.db2.gz TVTLOTAGRGCCMV-FLIBITNWSA-N -1 0 328.343 3.587 20 0 EHADRM COc1cccc([C@H](C)C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)c1 ZINC000738092562 600286330 /nfs/dbraw/zinc/28/63/30/600286330.db2.gz QEJTZOGBLACWME-ZDUSSCGKSA-N -1 0 342.395 3.547 20 0 EHADRM C/C(=C\C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000736121177 600287108 /nfs/dbraw/zinc/28/71/08/600287108.db2.gz PPHVCTFWWLOPDJ-ACCUITESSA-N -1 0 342.370 3.978 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(CNC(=O)[O-])cc2)c2ccccc2n1 ZINC000738335161 600289141 /nfs/dbraw/zinc/28/91/41/600289141.db2.gz BZEPHDBHOCXORS-UHFFFAOYSA-N -1 0 335.363 3.563 20 0 EHADRM C[C@H](c1ccccn1)N(C)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000736724068 600289412 /nfs/dbraw/zinc/28/94/12/600289412.db2.gz KCIPOFUULGTGIM-SNVBAGLBSA-N -1 0 333.775 3.658 20 0 EHADRM CC(C)(C(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccccc1F ZINC000736230169 600297178 /nfs/dbraw/zinc/29/71/78/600297178.db2.gz FPNDEXBRISLNLI-UHFFFAOYSA-N -1 0 330.359 3.510 20 0 EHADRM Cc1ccc2c(CC(=O)Nc3ccc(CNC(=O)[O-])cc3)coc2c1 ZINC000738668102 600297501 /nfs/dbraw/zinc/29/75/01/600297501.db2.gz XYYVAENVAJDGSC-UHFFFAOYSA-N -1 0 338.363 3.690 20 0 EHADRM CN(Cc1ccc(NC(=O)Cc2cccc3cccnc32)cc1)C(=O)[O-] ZINC000737478272 600306421 /nfs/dbraw/zinc/30/64/21/600306421.db2.gz HGZUJXOWPXOYEW-UHFFFAOYSA-N -1 0 349.390 3.526 20 0 EHADRM CN(Cc1ccc(NC(=O)CNc2ccccc2Cl)cc1)C(=O)[O-] ZINC000737479655 600306762 /nfs/dbraw/zinc/30/67/62/600306762.db2.gz VDOUQURQJBMFDI-UHFFFAOYSA-N -1 0 347.802 3.500 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)c2sccc2-n2cccc2)cc1 ZINC000739992054 600309341 /nfs/dbraw/zinc/30/93/41/600309341.db2.gz MRAGMCVBHLPSOI-UHFFFAOYSA-N -1 0 341.392 3.559 20 0 EHADRM O=C([O-])[C@H](OC(=O)Cc1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000739342400 600321715 /nfs/dbraw/zinc/32/17/15/600321715.db2.gz VYWACNBQPJSESX-OAHLLOKOSA-N -1 0 339.174 3.905 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccccc1Cl)c1cccc(Cl)c1 ZINC000740299667 600321895 /nfs/dbraw/zinc/32/18/95/600321895.db2.gz PHFCKQXJXZVTSC-CYBMUJFWSA-N -1 0 325.147 3.976 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cc(Cl)c(Cl)[nH]1)c1cccc(Cl)c1 ZINC000740289055 600324800 /nfs/dbraw/zinc/32/48/00/600324800.db2.gz CJMIZAWRFMBGSP-SNVBAGLBSA-N -1 0 348.569 3.958 20 0 EHADRM Cc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)c(Cl)n1 ZINC000738546322 600326817 /nfs/dbraw/zinc/32/68/17/600326817.db2.gz SYKVCRFCNJFJCD-LBPRGKRZSA-N -1 0 340.162 3.680 20 0 EHADRM Cc1cccc(C)c1NC(=O)[C@H](C)Nc1ccc(CNC(=O)[O-])cc1 ZINC000738695190 600327397 /nfs/dbraw/zinc/32/73/97/600327397.db2.gz KITUSAVZYDBLPV-AWEZNQCLSA-N -1 0 341.411 3.510 20 0 EHADRM Cn1c(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)cc2ccccc21 ZINC000739012596 600327688 /nfs/dbraw/zinc/32/76/88/600327688.db2.gz JQSLNXORXRZILL-INIZCTEOSA-N -1 0 343.766 3.814 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@@H]1CCc2ccccc21)c1cccc(Cl)c1 ZINC000740291007 600329876 /nfs/dbraw/zinc/32/98/76/600329876.db2.gz KZXVUYOMHUCBBZ-HZPDHXFCSA-N -1 0 330.767 3.739 20 0 EHADRM CC[C@@H]1CN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C[C@H](C)O1 ZINC000736944335 600331445 /nfs/dbraw/zinc/33/14/45/600331445.db2.gz SAUGFGKCOKNUCV-BLLLJJGKSA-N -1 0 346.452 3.508 20 0 EHADRM COc1ccc(C)cc1NC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000737973616 600334348 /nfs/dbraw/zinc/33/43/48/600334348.db2.gz SRBOXEMRNRRZBK-UHFFFAOYSA-N -1 0 343.383 3.757 20 0 EHADRM CCCOc1cc(C)ccc1NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000737028056 600336191 /nfs/dbraw/zinc/33/61/91/600336191.db2.gz PFDYMUWZRDFUOX-AWEZNQCLSA-N -1 0 346.427 3.502 20 0 EHADRM Cc1cc(NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)ccc1F ZINC000738444399 600339798 /nfs/dbraw/zinc/33/97/98/600339798.db2.gz PXRHBZYFRSSBMG-UHFFFAOYSA-N -1 0 331.347 3.888 20 0 EHADRM CCN(CCC(F)(F)F)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000737100610 600340495 /nfs/dbraw/zinc/34/04/95/600340495.db2.gz BMBYYRAHMUFTPN-UHFFFAOYSA-N -1 0 347.337 3.603 20 0 EHADRM CN(Cc1ccc(NC(=O)NCCC2CCCCC2)cc1)C(=O)[O-] ZINC000737482413 600344206 /nfs/dbraw/zinc/34/42/06/600344206.db2.gz LPXMOMPNRQTTQW-UHFFFAOYSA-N -1 0 333.432 3.888 20 0 EHADRM CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736905374 600350323 /nfs/dbraw/zinc/35/03/23/600350323.db2.gz GQIHCXGSEQVIGX-MRXNPFEDSA-N -1 0 341.411 3.597 20 0 EHADRM CCC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736973968 600352521 /nfs/dbraw/zinc/35/25/21/600352521.db2.gz LDNKDOSAEDOXNU-GOEBONIOSA-N -1 0 333.432 3.935 20 0 EHADRM C[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736841165 600353516 /nfs/dbraw/zinc/35/35/16/600353516.db2.gz YDASUMPAIYLQNA-LLVKDONJSA-N -1 0 345.424 3.667 20 0 EHADRM C[C@H](CN(C)C(=O)c1cc(-c2ccccc2)ccc1Cl)C(=O)[O-] ZINC000237576920 600360264 /nfs/dbraw/zinc/36/02/64/600360264.db2.gz QCISVZKBYNMIIE-GFCCVEGCSA-N -1 0 331.799 3.800 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1)c1cccs1 ZINC000736709313 600362406 /nfs/dbraw/zinc/36/24/06/600362406.db2.gz OXNPRIHXIYLQBF-NEPJUHHUSA-N -1 0 349.477 3.945 20 0 EHADRM C[C@@H](S[C@@H](C)c1cccs1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736709315 600362682 /nfs/dbraw/zinc/36/26/82/600362682.db2.gz OXNPRIHXIYLQBF-NWDGAFQWSA-N -1 0 349.477 3.945 20 0 EHADRM Cc1cc(NCCc2ccc(NC(=O)[O-])cc2)nc(-c2cccnc2)n1 ZINC000738461430 600363625 /nfs/dbraw/zinc/36/36/25/600363625.db2.gz BWRFKOMDCFTDDE-UHFFFAOYSA-N -1 0 349.394 3.592 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)CC/C=C/c1ccccc1 ZINC000737866452 600367058 /nfs/dbraw/zinc/36/70/58/600367058.db2.gz MPBVRXUOQWOJNR-WEVVVXLNSA-N -1 0 326.348 3.792 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)OCc1cccc(C(=O)[O-])c1 ZINC000736616905 600370514 /nfs/dbraw/zinc/37/05/14/600370514.db2.gz CXXRXRBPIHXAFN-CYBMUJFWSA-N -1 0 330.405 3.856 20 0 EHADRM CCC[C@](C)(NC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000236824404 600374673 /nfs/dbraw/zinc/37/46/73/600374673.db2.gz JFKCCAHXBYIHSA-BZNIZROVSA-N -1 0 345.361 3.644 20 0 EHADRM CC[C@@H](CC(=O)N(CC(=O)[O-])Cc1ccccc1)c1ccc(C)cc1 ZINC000736893356 600376298 /nfs/dbraw/zinc/37/62/98/600376298.db2.gz YKSQCJADMMULEI-SFHVURJKSA-N -1 0 339.435 3.992 20 0 EHADRM COc1ccc(NC(=O)CC/C=C/c2ccccc2)c(C(=O)[O-])c1 ZINC000738027654 600377289 /nfs/dbraw/zinc/37/72/89/600377289.db2.gz ATMPGVHGFOMGKN-WEVVVXLNSA-N -1 0 325.364 3.826 20 0 EHADRM CC[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c1ccc(C)cc1 ZINC000236934292 600377597 /nfs/dbraw/zinc/37/75/97/600377597.db2.gz SHMTXAPOPDEQTR-MJGOQNOKSA-N -1 0 339.435 3.691 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000621557225 600378719 /nfs/dbraw/zinc/37/87/19/600378719.db2.gz AYRDMUOAAOQGBW-AWEZNQCLSA-N -1 0 337.419 3.983 20 0 EHADRM O=C([O-])[C@@H](Sc1ncn(-c2ccccc2)n1)c1cccc(Cl)c1 ZINC000739514204 600379746 /nfs/dbraw/zinc/37/97/46/600379746.db2.gz VJSJTEDKCLJJDF-AWEZNQCLSA-N -1 0 345.811 3.839 20 0 EHADRM C[C@@H](CC(=O)N[C@@](C)(C(=O)[O-])C1CC1)c1cccc(C(F)(F)F)c1 ZINC000237548436 600379811 /nfs/dbraw/zinc/37/98/11/600379811.db2.gz NWKWALWDAUYPSS-MGPLVRAMSA-N -1 0 343.345 3.569 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)Cc1c(F)cccc1Cl)c1ccccc1 ZINC000736853014 600379838 /nfs/dbraw/zinc/37/98/38/600379838.db2.gz QKGCDGFAJCHCHF-MRXNPFEDSA-N -1 0 349.789 3.918 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000738661506 600380893 /nfs/dbraw/zinc/38/08/93/600380893.db2.gz LVYOZIUCDYOCLM-SJLPKXTDSA-N -1 0 338.407 3.918 20 0 EHADRM O=C(/C=C\c1ccnc2ccccc12)NC1(C(=O)[O-])CCCCCC1 ZINC000588592933 600382171 /nfs/dbraw/zinc/38/21/71/600382171.db2.gz PBRJLLHRPVWTKT-KTKRTIGZSA-N -1 0 338.407 3.542 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000736325182 600382239 /nfs/dbraw/zinc/38/22/39/600382239.db2.gz YUCSQFLRKQMORS-UHFFFAOYSA-N -1 0 333.334 3.870 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)C=Cc2ccnc3ccccc23)c1 ZINC000740042913 600382965 /nfs/dbraw/zinc/38/29/65/600382965.db2.gz MNAHSKYTUKHHLC-CMDGGOBGSA-N -1 0 333.347 3.977 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cc3cc(F)ccc3o2)c1 ZINC000737933091 600384040 /nfs/dbraw/zinc/38/40/40/600384040.db2.gz IFTCOFIMZIDUGD-UHFFFAOYSA-N -1 0 329.283 3.531 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1ccccc1SC)c1ccccc1 ZINC000736849930 600384427 /nfs/dbraw/zinc/38/44/27/600384427.db2.gz BVGVEPDUKSNJGU-OAHLLOKOSA-N -1 0 329.421 3.919 20 0 EHADRM CCCc1ccc(C(=O)NCCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000737044370 600384900 /nfs/dbraw/zinc/38/49/00/600384900.db2.gz CBTLKECAWOYUDP-UHFFFAOYSA-N -1 0 326.396 3.702 20 0 EHADRM O=C([O-])c1cc(NC(=O)NCCCSc2ccccc2)ccc1F ZINC000739422544 600385714 /nfs/dbraw/zinc/38/57/14/600385714.db2.gz BBAPSJRIOMONPU-UHFFFAOYSA-N -1 0 348.399 3.828 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)c2ccc(-n3cccc3)cc2)cc1 ZINC000740019259 600385807 /nfs/dbraw/zinc/38/58/07/600385807.db2.gz BIDQDHJHGIIWMF-UHFFFAOYSA-N -1 0 349.390 3.540 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@H]2CCSc3ccccc32)ccc1F ZINC000739471485 600386158 /nfs/dbraw/zinc/38/61/58/600386158.db2.gz KSGLBGIPVRJUQD-AWEZNQCLSA-N -1 0 346.383 3.883 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@H](C)c1cccc(OC)c1)c1ccccc1 ZINC000736848113 600386423 /nfs/dbraw/zinc/38/64/23/600386423.db2.gz MLINRQNXVUPCFO-RDTXWAMCSA-N -1 0 341.407 3.695 20 0 EHADRM CC(C)N(Cc1ccccc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000302907285 600390848 /nfs/dbraw/zinc/39/08/48/600390848.db2.gz HVPCHLARSRBOKF-UHFFFAOYSA-N -1 0 330.359 3.966 20 0 EHADRM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)CCCN(C)C(=O)[O-])cc1 ZINC000738584155 600391093 /nfs/dbraw/zinc/39/10/93/600391093.db2.gz UMUWBZXNFFMWHF-MAUKXSAKSA-N -1 0 332.444 3.685 20 0 EHADRM O=C([O-])c1cc(NC(=O)N(CCc2ccccc2)C2CC2)ccc1F ZINC000740080646 600391656 /nfs/dbraw/zinc/39/16/56/600391656.db2.gz FOKQCTYVSDANPT-UHFFFAOYSA-N -1 0 342.370 3.763 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCc2cccc3ccccc32)c(F)c1 ZINC000327422281 600395999 /nfs/dbraw/zinc/39/59/99/600395999.db2.gz MLUWMIRJKBJCAO-UHFFFAOYSA-N -1 0 338.338 3.999 20 0 EHADRM CC1(c2ccccc2)CC(NC(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000736741778 600396139 /nfs/dbraw/zinc/39/61/39/600396139.db2.gz ORYHCQYMNDVZTR-UHFFFAOYSA-N -1 0 342.370 3.766 20 0 EHADRM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCO[C@H](c2ccccc2)C1 ZINC000565103981 600396234 /nfs/dbraw/zinc/39/62/34/600396234.db2.gz MZEXZTFEKBVUBW-DLBZAZTESA-N -1 0 331.799 3.539 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(NCC3(O)CCCCCC3)c12 ZINC000738864726 600396984 /nfs/dbraw/zinc/39/69/84/600396984.db2.gz ALFROFBNUWZKNZ-UHFFFAOYSA-N -1 0 349.456 3.504 20 0 EHADRM O=C([O-])[C@H](c1ccccc1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000517381392 600403127 /nfs/dbraw/zinc/40/31/27/600403127.db2.gz JSPQMTCKPLVWQQ-SJORKVTESA-N -1 0 349.789 3.678 20 0 EHADRM CC[C@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC000736938599 600404452 /nfs/dbraw/zinc/40/44/52/600404452.db2.gz ILSVUSPHOMBMRF-JTQLQIEISA-N -1 0 342.342 3.640 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)[C@@H](C)CC1CCCC1 ZINC000737873157 600405123 /nfs/dbraw/zinc/40/51/23/600405123.db2.gz QMVMLURTHSXIBT-FROQITRMSA-N -1 0 332.396 3.915 20 0 EHADRM CC(C)(C)/C=C/C(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC000736251044 600407986 /nfs/dbraw/zinc/40/79/86/600407986.db2.gz NMZYZTVYHHPWSS-BQYQJAHWSA-N -1 0 344.436 3.973 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)c2csc3c2CCCC3)cc1 ZINC000740019300 600412591 /nfs/dbraw/zinc/41/25/91/600412591.db2.gz CNUOBMDMMWOZJZ-UHFFFAOYSA-N -1 0 344.436 3.689 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)CCc1cccc(OC2CCCC2)c1 ZINC000236826004 600416923 /nfs/dbraw/zinc/41/69/23/600416923.db2.gz VIICSCUWXUAMIK-UHFFFAOYSA-N -1 0 347.455 3.700 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)NC(C)(C)CCC(=O)[O-] ZINC000236723098 600417634 /nfs/dbraw/zinc/41/76/34/600417634.db2.gz NGULBKZZNIJKQY-AWEZNQCLSA-N -1 0 335.444 3.645 20 0 EHADRM CC(=O)Nc1ccc(C)c(N[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000736162987 600422007 /nfs/dbraw/zinc/42/20/07/600422007.db2.gz ZGDRSXJRJUCMPM-INIZCTEOSA-N -1 0 332.787 3.845 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)c2ccc(-c3ccccc3Cl)o2)c1 ZINC000740245592 600429301 /nfs/dbraw/zinc/42/93/01/600429301.db2.gz ROMVVXGTJRTTDN-UHFFFAOYSA-N -1 0 342.738 3.946 20 0 EHADRM Cc1cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)c(C)n1C(C)C ZINC000738347403 600443573 /nfs/dbraw/zinc/44/35/73/600443573.db2.gz KKHUGJZAEDSRQE-MRXNPFEDSA-N -1 0 333.359 3.808 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1nc(Cl)ccc1Cl)c1ccc(F)cc1 ZINC000740290597 600443941 /nfs/dbraw/zinc/44/39/41/600443941.db2.gz KBCSVBAOOKHIIJ-LBPRGKRZSA-N -1 0 344.125 3.510 20 0 EHADRM CCSc1ccccc1C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737228624 600449312 /nfs/dbraw/zinc/44/93/12/600449312.db2.gz CEADCDSJMYCSAU-HNNXBMFYSA-N -1 0 334.368 3.920 20 0 EHADRM O=C([O-])[C@@H](OC(=O)[C@@H]1CCCc2ccccc21)c1ccc(F)cc1 ZINC000740290489 600449662 /nfs/dbraw/zinc/44/96/62/600449662.db2.gz TVRFEHDWYNSTAX-SJORKVTESA-N -1 0 328.339 3.615 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)/C=C\c2cccnc2)s1 ZINC000736294694 600450747 /nfs/dbraw/zinc/45/07/47/600450747.db2.gz ODQPRLNVCHAOAX-SREVYHEPSA-N -1 0 330.409 3.791 20 0 EHADRM CC(=O)c1cc(C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])n(C)c1 ZINC000736185496 600451140 /nfs/dbraw/zinc/45/11/40/600451140.db2.gz DPTBMYUWXSEZEV-UHFFFAOYSA-N -1 0 348.424 3.537 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)O[C@H](C(=O)[O-])c2ccccc2)s1 ZINC000738465184 600454733 /nfs/dbraw/zinc/45/47/33/600454733.db2.gz RTVWBUVRJLVOFU-NSHDSACASA-N -1 0 342.319 3.641 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)OCC(F)(F)F)cc1 ZINC000736297113 600454889 /nfs/dbraw/zinc/45/48/89/600454889.db2.gz NYAQTLMSWJQDMB-LBPRGKRZSA-N -1 0 347.333 3.788 20 0 EHADRM C[C@@H]1c2c(F)cccc2CCN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000736836735 600454990 /nfs/dbraw/zinc/45/49/90/600454990.db2.gz KBMIOAVLWCRGJD-LLVKDONJSA-N -1 0 328.343 3.675 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736904643 600456401 /nfs/dbraw/zinc/45/64/01/600456401.db2.gz VYNHIPUVDLTEIU-WMLDXEAASA-N -1 0 330.355 3.764 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)NCCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738552726 600457468 /nfs/dbraw/zinc/45/74/68/600457468.db2.gz OYQKQURECKVZPJ-AWEZNQCLSA-N -1 0 341.411 3.688 20 0 EHADRM C[C@@H]1CCC[C@H](CCNC(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000736774088 600459855 /nfs/dbraw/zinc/45/98/55/600459855.db2.gz GFKTTYTZXHUCFC-GDBMZVCRSA-N -1 0 347.459 3.835 20 0 EHADRM CC1CCC(=CC(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)CC1 ZINC000736761258 600466891 /nfs/dbraw/zinc/46/68/91/600466891.db2.gz GIDKNUXGMFXAPD-UHFFFAOYSA-N -1 0 345.424 3.911 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000261616977 600472071 /nfs/dbraw/zinc/47/20/71/600472071.db2.gz FNNRNUCIJQRVBK-CQSZACIVSA-N -1 0 340.379 3.807 20 0 EHADRM CC[C@H](C)[C@@H]1CCCCN1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000736879271 600474402 /nfs/dbraw/zinc/47/44/02/600474402.db2.gz COEJPXPPBXVKOF-BBRMVZONSA-N -1 0 334.416 3.583 20 0 EHADRM O=C([O-])c1ccc(OC(=O)[C@H]2CSc3ccccc32)c(Cl)c1 ZINC000740162333 600474896 /nfs/dbraw/zinc/47/48/96/600474896.db2.gz YPYMDTWJFVZGTF-NSHDSACASA-N -1 0 334.780 3.833 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)Cc2ccccc2OC(F)F)c1 ZINC000740041989 600475352 /nfs/dbraw/zinc/47/53/52/600475352.db2.gz CKXHDUXMFPLFME-UHFFFAOYSA-N -1 0 336.294 3.559 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)Oc1ccc(C(=O)[O-])cc1OC ZINC000736904649 600476684 /nfs/dbraw/zinc/47/66/84/600476684.db2.gz WHGPTASMBLGILB-AWEZNQCLSA-N -1 0 328.364 3.568 20 0 EHADRM C[C@H](Oc1ccccc1F)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000320509622 600476947 /nfs/dbraw/zinc/47/69/47/600476947.db2.gz MVRAAFGYHSLDCF-VIFPVBQESA-N -1 0 337.734 3.583 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC000736904347 600477328 /nfs/dbraw/zinc/47/73/28/600477328.db2.gz SYHVZHSPWAQGED-INIZCTEOSA-N -1 0 337.419 3.933 20 0 EHADRM CC(C)(C)c1ccc(/C=C/C(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000736298827 600478339 /nfs/dbraw/zinc/47/83/39/600478339.db2.gz USETYSIBVKIOSN-IZZDOVSWSA-N -1 0 327.380 3.605 20 0 EHADRM CC(C)[C@H]1CCCN(C(=O)Cn2cc(C(=O)[O-])c3ccccc32)CC1 ZINC000736394558 600483924 /nfs/dbraw/zinc/48/39/24/600483924.db2.gz ILJZDOLGQXCOEY-HNNXBMFYSA-N -1 0 342.439 3.624 20 0 EHADRM C[C@H]1SCCN(C(=O)c2ccc(C(=O)[O-])s2)[C@H]1c1ccccc1 ZINC000237601950 600488366 /nfs/dbraw/zinc/48/83/66/600488366.db2.gz IVYXCONGMDYAAU-IAQYHMDHSA-N -1 0 347.461 3.765 20 0 EHADRM CC[C@H](C)[C@H]1CCCCN1C(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC000736879243 600488923 /nfs/dbraw/zinc/48/89/23/600488923.db2.gz CAWMAUJPTBZNHA-XJKSGUPXSA-N -1 0 348.443 3.504 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)NCCCCCC(=O)[O-])C1 ZINC000414604868 600489592 /nfs/dbraw/zinc/48/95/92/600489592.db2.gz BLWNUVJFQGJTMX-JKSUJKDBSA-N -1 0 332.444 3.527 20 0 EHADRM CC(C)(C)C[C@@H]1CCCN1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736251320 600498629 /nfs/dbraw/zinc/49/86/29/600498629.db2.gz QAJOBDJHQUNELF-INIZCTEOSA-N -1 0 347.459 3.929 20 0 EHADRM Cc1ccc([C@H](C)CNC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000738551601 600501357 /nfs/dbraw/zinc/50/13/57/600501357.db2.gz KZCMVOPIIQVOAL-CQSZACIVSA-N -1 0 338.407 3.522 20 0 EHADRM Cc1noc(C)c1[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000321585769 600510319 /nfs/dbraw/zinc/51/03/19/600510319.db2.gz JUVAPFTUNAAAGV-ZETCQYMHSA-N -1 0 337.763 3.526 20 0 EHADRM COCc1cccc(CNC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000737834130 600514135 /nfs/dbraw/zinc/51/41/35/600514135.db2.gz JFRNEEUZHUWGFZ-UHFFFAOYSA-N -1 0 348.786 3.506 20 0 EHADRM Cn1cccc1[C@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000739041856 600516751 /nfs/dbraw/zinc/51/67/51/600516751.db2.gz CQUARYRLGIJZKS-OAHLLOKOSA-N -1 0 347.802 3.746 20 0 EHADRM CS[C@@H](C(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1ccccc1 ZINC000738182523 600523739 /nfs/dbraw/zinc/52/37/39/600523739.db2.gz RHGFQLYUOWJICX-CQSZACIVSA-N -1 0 337.347 3.706 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000262530365 600523784 /nfs/dbraw/zinc/52/37/84/600523784.db2.gz HZDJFLPSTOEARJ-SFHVURJKSA-N -1 0 341.407 3.603 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)Nc2ccc(SC(F)F)cc2)o1 ZINC000739437431 600540108 /nfs/dbraw/zinc/54/01/08/600540108.db2.gz INDKWFWYFYXYEB-UHFFFAOYSA-N -1 0 342.323 3.614 20 0 EHADRM C[C@H](NC(=O)NCc1ccc(C(=O)[O-])o1)c1cc2ccccc2s1 ZINC000736645823 600545992 /nfs/dbraw/zinc/54/59/92/600545992.db2.gz HXCRDBXJEZGFQH-JTQLQIEISA-N -1 0 344.392 3.753 20 0 EHADRM Cc1csc(C2(NC(=O)Nc3ccc(C(=O)[O-])cc3)CCCC2)n1 ZINC000738336335 600549016 /nfs/dbraw/zinc/54/90/16/600549016.db2.gz BLVHDUPETCJHEY-UHFFFAOYSA-N -1 0 345.424 3.741 20 0 EHADRM O=C([O-])CCNC(=O)Nc1cccc(CSC2CCCCC2)c1 ZINC000263017438 600552724 /nfs/dbraw/zinc/55/27/24/600552724.db2.gz IMIWCRBRWRSLOG-UHFFFAOYSA-N -1 0 336.457 3.849 20 0 EHADRM Cc1nc(CCC(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])cs1 ZINC000738854224 600554347 /nfs/dbraw/zinc/55/43/47/600554347.db2.gz GTTLEBAWQZAHNZ-UHFFFAOYSA-N -1 0 332.425 3.844 20 0 EHADRM CC(C)[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000621552997 600555948 /nfs/dbraw/zinc/55/59/48/600555948.db2.gz KLBHBNNVRKCPHI-SECBINFHSA-N -1 0 333.306 3.557 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)CCc1cccc(OC2CCCC2)c1 ZINC000236730917 600561339 /nfs/dbraw/zinc/56/13/39/600561339.db2.gz NNHFVXCPQVHSOK-UHFFFAOYSA-N -1 0 347.455 3.652 20 0 EHADRM Cc1ccc(C(=O)N(CCC(=O)[O-])C(C)C)cc1Oc1ccncc1 ZINC000738505023 600573243 /nfs/dbraw/zinc/57/32/43/600573243.db2.gz SCFFAJWHXHPQKM-UHFFFAOYSA-N -1 0 342.395 3.508 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)O[C@@H](CC(C)C)C(=O)[O-] ZINC000738195455 600573291 /nfs/dbraw/zinc/57/32/91/600573291.db2.gz RRINMPANQLBTAZ-AWEZNQCLSA-N -1 0 336.409 3.952 20 0 EHADRM C[C@H](CC(=O)[O-])S[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000736549352 600583629 /nfs/dbraw/zinc/58/36/29/600583629.db2.gz JTDPDJHSBIDSTR-RDTXWAMCSA-N -1 0 343.448 3.641 20 0 EHADRM Cc1cc(C(=O)N(C)C[C@@H](C)C(=O)[O-])c(C)n1[C@H](C)c1ccccc1 ZINC000237575805 600593371 /nfs/dbraw/zinc/59/33/71/600593371.db2.gz MAKGDWHHZCCHJY-UKRRQHHQSA-N -1 0 342.439 3.507 20 0 EHADRM Cc1cc(C(=O)N(C)C[C@@H](C)C(=O)[O-])c(C)n1-c1ccc(Cl)cc1 ZINC000237575990 600595254 /nfs/dbraw/zinc/59/52/54/600595254.db2.gz GJCNLOMVGRUNBJ-LLVKDONJSA-N -1 0 348.830 3.540 20 0 EHADRM CN(C(=O)c1ccc(Cl)cc1Cl)[C@H](C(=O)[O-])c1ccccc1 ZINC000737337092 600596506 /nfs/dbraw/zinc/59/65/06/600596506.db2.gz UZASUNYVOPMDAG-AWEZNQCLSA-N -1 0 338.190 3.891 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000678978010 600596780 /nfs/dbraw/zinc/59/67/80/600596780.db2.gz SRYZAOSPTHNODE-UHFFFAOYSA-N -1 0 342.439 3.762 20 0 EHADRM O=C([O-])[C@H](CNC(=O)[C@H]1CC=CCC1)Cc1cccc2ccccc21 ZINC000262848956 600600366 /nfs/dbraw/zinc/60/03/66/600600366.db2.gz UXWQHZJBACPPMM-WMZOPIPTSA-N -1 0 337.419 3.556 20 0 EHADRM C[C@@H](CS[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)C(=O)[O-] ZINC000736607016 600601013 /nfs/dbraw/zinc/60/10/13/600601013.db2.gz LKPBSBHFQZWLKP-LRDDRELGSA-N -1 0 347.411 3.959 20 0 EHADRM Cc1nc(-c2ccccc2)ccc1C(=O)N(CC(=O)[O-])c1ccccc1 ZINC000156280148 600603687 /nfs/dbraw/zinc/60/36/87/600603687.db2.gz XVLVFTWZBXRGHA-UHFFFAOYSA-N -1 0 346.386 3.788 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc(SC(F)F)cc1)c1ccccc1 ZINC000156295296 600605930 /nfs/dbraw/zinc/60/59/30/600605930.db2.gz CLZPDICGMXLKEG-UHFFFAOYSA-N -1 0 337.347 3.733 20 0 EHADRM CCC(C)(C)C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000236838955 600606472 /nfs/dbraw/zinc/60/64/72/600606472.db2.gz XCTAYUNVTAQKHX-KRWDZBQOSA-N -1 0 327.424 3.636 20 0 EHADRM C[C@@H](CSCCC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000086109594 600606648 /nfs/dbraw/zinc/60/66/48/600606648.db2.gz MEWGJYDAWNUROA-QMMMGPOBSA-N -1 0 336.240 3.776 20 0 EHADRM CC[C@](NC(=O)C[C@H]1CCc2ccccc21)(C(=O)[O-])c1ccccc1 ZINC000675982000 600609370 /nfs/dbraw/zinc/60/93/70/600609370.db2.gz HXMGSBPGANIHDX-IIBYNOLFSA-N -1 0 337.419 3.613 20 0 EHADRM CC(C)c1cnc(COc2ccc(C(=O)[O-])cc2Br)o1 ZINC000700780220 600614192 /nfs/dbraw/zinc/61/41/92/600614192.db2.gz MOKKHAZFCLPFDM-UHFFFAOYSA-N -1 0 340.173 3.838 20 0 EHADRM CS[C@H](C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000738180349 600621200 /nfs/dbraw/zinc/62/12/00/600621200.db2.gz ANWWPHHRWCQECX-GJZGRUSLSA-N -1 0 334.368 3.599 20 0 EHADRM Cc1[nH]c(C(=O)N(Cc2ccc(F)cc2)CC2CC2)c(C)c1C(=O)[O-] ZINC000738159472 600622036 /nfs/dbraw/zinc/62/20/36/600622036.db2.gz KXTYTNCNPRQJJA-UHFFFAOYSA-N -1 0 344.386 3.521 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)NCCc2cc3ccccc3o2)c1 ZINC000739428945 600624008 /nfs/dbraw/zinc/62/40/08/600624008.db2.gz OGHBYWIDJBFMFV-UHFFFAOYSA-N -1 0 342.326 3.634 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1ccc(OC2CCCCC2)cc1)C(=O)[O-] ZINC000736243808 600642576 /nfs/dbraw/zinc/64/25/76/600642576.db2.gz GVISURJNUAYTTA-INIZCTEOSA-N -1 0 333.428 3.627 20 0 EHADRM CCN(C(=O)[C@@H]1C[C@@H]1c1cccc(OC)c1)c1ccccc1C(=O)[O-] ZINC000737052044 600646505 /nfs/dbraw/zinc/64/65/05/600646505.db2.gz FCNWZZBRKXJFGH-IAGOWNOFSA-N -1 0 339.391 3.550 20 0 EHADRM O=C([O-])[C@H](CNC(=O)Nc1ccccc1)Cc1cccc2ccccc21 ZINC000739403583 600652662 /nfs/dbraw/zinc/65/26/62/600652662.db2.gz QNOWTCPCLCJQCP-KRWDZBQOSA-N -1 0 348.402 3.905 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccnc(F)c1)c1ccc(Cl)cc1Cl ZINC000833351190 600653698 /nfs/dbraw/zinc/65/36/98/600653698.db2.gz OBAXFCMCWODGRL-GFCCVEGCSA-N -1 0 344.125 3.510 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)c2)oc1C ZINC000179976188 600658800 /nfs/dbraw/zinc/65/88/00/600658800.db2.gz DMCKDRQFSPEDIW-HIFRSBDPSA-N -1 0 342.395 3.788 20 0 EHADRM CC(C)c1ccc(C(=O)[C@H](C)OC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000827868016 600659076 /nfs/dbraw/zinc/65/90/76/600659076.db2.gz UDLGHERYJQFORK-ZDUSSCGKSA-N -1 0 340.375 3.936 20 0 EHADRM O=C([O-])c1ccccc1C(=O)OCCSc1ccc(Cl)cc1 ZINC000833333167 600659897 /nfs/dbraw/zinc/65/98/97/600659897.db2.gz OWMMFFIEKNODMW-UHFFFAOYSA-N -1 0 336.796 3.987 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@@H]2CC(=O)[O-])cc1 ZINC000679397728 600661492 /nfs/dbraw/zinc/66/14/92/600661492.db2.gz RTICLCVYOUMRQC-SQNIBIBYSA-N -1 0 329.440 3.769 20 0 EHADRM CC/C(=C\C(=O)O[C@@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000828550787 600661530 /nfs/dbraw/zinc/66/15/30/600661530.db2.gz YGFMFADEACMZON-QFQMRYFISA-N -1 0 328.339 3.988 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NC2(c3ccc(F)cc3)CCCC2)C1 ZINC000179982383 600665413 /nfs/dbraw/zinc/66/54/13/600665413.db2.gz WFOSQUGWNRSMQI-KGLIPLIRSA-N -1 0 333.403 3.602 20 0 EHADRM O=C([O-])c1coc(COC(=O)c2cc(Cl)cc3cccnc32)c1 ZINC000833340549 600669754 /nfs/dbraw/zinc/66/97/54/600669754.db2.gz HSOMTBGAPYBFMT-UHFFFAOYSA-N -1 0 331.711 3.536 20 0 EHADRM O=C([O-])c1cc(NCc2ccc(OC(F)F)cc2)c(F)cc1F ZINC000390350987 600675491 /nfs/dbraw/zinc/67/54/91/600675491.db2.gz YUSFCHJVLHHNGT-UHFFFAOYSA-N -1 0 329.249 3.877 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)CCSc1ccccc1F ZINC000739892270 600676364 /nfs/dbraw/zinc/67/63/64/600676364.db2.gz NLOHWPLXVAYYSD-UHFFFAOYSA-N -1 0 334.368 3.541 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC[C@H](O)c1cc(C)cc(C)c1 ZINC000831976630 600682964 /nfs/dbraw/zinc/68/29/64/600682964.db2.gz NJECKFDAQUZELZ-WVRJYTFGSA-N -1 0 342.391 3.522 20 0 EHADRM CC(C)C[C@H](C(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000736401339 600688529 /nfs/dbraw/zinc/68/85/29/600688529.db2.gz HCPOXOQIZYSQSL-IBGZPJMESA-N -1 0 339.435 3.873 20 0 EHADRM CC(C)C[C@H](C(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000736401985 600689104 /nfs/dbraw/zinc/68/91/04/600689104.db2.gz MQUZREMJABTMCK-SFHVURJKSA-N -1 0 341.407 3.918 20 0 EHADRM Cc1cc(S(=O)(=O)Oc2ccc(C(C)C)cc2)ccc1C(=O)[O-] ZINC000738477674 600691074 /nfs/dbraw/zinc/69/10/74/600691074.db2.gz AYYAJSWINODSPT-UHFFFAOYSA-N -1 0 334.393 3.584 20 0 EHADRM Cc1c(Cl)cccc1OCc1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000832854879 600694318 /nfs/dbraw/zinc/69/43/18/600694318.db2.gz UBFLXDUILAYSSY-UHFFFAOYSA-N -1 0 344.754 3.976 20 0 EHADRM COc1nc(-c2nc(-c3cccc(C(=O)[O-])c3)no2)cc2ccccc21 ZINC000832649698 600700017 /nfs/dbraw/zinc/70/00/17/600700017.db2.gz VRSFAEGOENAYLW-UHFFFAOYSA-N -1 0 347.330 3.659 20 0 EHADRM O=C([O-])c1cccc(-c2noc([C@H]3C[C@@H]3c3ccc(F)c(F)c3)n2)c1 ZINC000833327932 600700891 /nfs/dbraw/zinc/70/08/91/600700891.db2.gz MPUYBRDCXATNQM-OLZOCXBDSA-N -1 0 342.301 3.984 20 0 EHADRM CCCc1c(C(=O)Nc2ccc3ccn(C)c3c2)[nH]c(C)c1C(=O)[O-] ZINC000829562727 600703623 /nfs/dbraw/zinc/70/36/23/600703623.db2.gz SKUILBAMQYPRFY-UHFFFAOYSA-N -1 0 339.395 3.718 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@H]1C[C@]13CCCc1ccccc13)C2 ZINC000621557482 600707843 /nfs/dbraw/zinc/70/78/43/600707843.db2.gz IBIZETVTOMMIJB-KNQAVFIVSA-N -1 0 347.414 3.521 20 0 EHADRM C[C@H](CC(=O)c1cccc(F)c1)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000827392233 600708367 /nfs/dbraw/zinc/70/83/67/600708367.db2.gz WCYLSTQWJIKIHI-MNOVXSKESA-N -1 0 348.326 3.630 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@@H]1SCCc2ccccc21)c1ccc(F)cc1 ZINC000833170794 600713014 /nfs/dbraw/zinc/71/30/14/600713014.db2.gz SDUQCNQIAIYAMX-HZPDHXFCSA-N -1 0 346.379 3.525 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000827427325 600721586 /nfs/dbraw/zinc/72/15/86/600721586.db2.gz FJXUQYQYHFBDIP-YVEFUNNKSA-N -1 0 348.345 3.903 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000827428593 600721919 /nfs/dbraw/zinc/72/19/19/600721919.db2.gz YBOCQKHQBAORTH-SJCJKPOMSA-N -1 0 348.345 3.903 20 0 EHADRM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)NCCCCCC(=O)[O-])C1 ZINC000414609640 600722385 /nfs/dbraw/zinc/72/23/85/600722385.db2.gz MHAKJONECBNJOT-CZUORRHYSA-N -1 0 336.407 3.563 20 0 EHADRM CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(C(=O)[O-])c2)C12CCCC2 ZINC000737156090 600729181 /nfs/dbraw/zinc/72/91/81/600729181.db2.gz CCVBLZKPYMWUGP-HZPDHXFCSA-N -1 0 346.427 3.586 20 0 EHADRM CC[C@@H]1CCC[C@@H](NC(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000736938943 600730130 /nfs/dbraw/zinc/73/01/30/600730130.db2.gz AXXKBPURZRKYJH-CZUORRHYSA-N -1 0 333.432 3.587 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)OCc2ccoc2C(=O)[O-])cc1 ZINC000736512634 600734469 /nfs/dbraw/zinc/73/44/69/600734469.db2.gz KLFLSRKMLXYAIV-HOTGVXAUSA-N -1 0 328.364 3.948 20 0 EHADRM CSc1ccc(O[C@@H](C)C(=O)O[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000738210950 600734678 /nfs/dbraw/zinc/73/46/78/600734678.db2.gz DWFJOQRIQZQSCX-LRDDRELGSA-N -1 0 346.404 3.545 20 0 EHADRM Cc1nc(-c2cccc(C(=O)OCc3ccoc3C(=O)[O-])c2)cs1 ZINC000832991592 600736411 /nfs/dbraw/zinc/73/64/11/600736411.db2.gz MMVDPNMLGBWXAJ-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000833025667 600737937 /nfs/dbraw/zinc/73/79/37/600737937.db2.gz QJFKQTGQIFGIGM-JXFKEZNVSA-N -1 0 340.375 3.624 20 0 EHADRM C[C@@H](CCOc1ccccc1)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000827422115 600741830 /nfs/dbraw/zinc/74/18/30/600741830.db2.gz LOMJJORPQHPOPQ-STQMWFEESA-N -1 0 332.352 3.687 20 0 EHADRM C[C@@H](OC(=O)[C@@H](C)CCOc1ccccc1)c1ccc(C(=O)[O-])o1 ZINC000827422114 600741981 /nfs/dbraw/zinc/74/19/81/600741981.db2.gz LOMJJORPQHPOPQ-QWHCGFSZSA-N -1 0 332.352 3.687 20 0 EHADRM CCc1ccccc1CNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000325694489 600742727 /nfs/dbraw/zinc/74/27/27/600742727.db2.gz PJRZTXXLCJYDFK-UHFFFAOYSA-N -1 0 334.322 3.547 20 0 EHADRM CC[C@@H]1CCC[C@@H](NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000320943890 600742786 /nfs/dbraw/zinc/74/27/86/600742786.db2.gz IMMSZYXHPLEQAN-NXEZZACHSA-N -1 0 326.343 3.753 20 0 EHADRM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NCCCCC(=O)[O-])o1 ZINC000666561705 600743940 /nfs/dbraw/zinc/74/39/40/600743940.db2.gz BMECBVXOEXEGEA-HIFRSBDPSA-N -1 0 336.432 3.580 20 0 EHADRM CCCCS(=O)(=O)Oc1cc(-c2ccccc2)sc1C(=O)[O-] ZINC000829430529 600744181 /nfs/dbraw/zinc/74/41/81/600744181.db2.gz AFVMPZCIZCLQJP-UHFFFAOYSA-N -1 0 340.422 3.622 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)c1cc(Cl)ccc1Cl ZINC000263047572 600744271 /nfs/dbraw/zinc/74/42/71/600744271.db2.gz QTLSQYGJUZPVBD-UWVGGRQHSA-N -1 0 345.226 3.561 20 0 EHADRM O=C([O-])[C@@H](NCc1ccccc1OCC1CC1)c1ccccc1F ZINC000833169765 600753251 /nfs/dbraw/zinc/75/32/51/600753251.db2.gz KEEIHLXDFCHRTQ-SFHVURJKSA-N -1 0 329.371 3.530 20 0 EHADRM CCC[C@@H](C)c1cc(NC(=O)CCc2ccc(C(=O)[O-])cc2)n[nH]1 ZINC000829216624 600773414 /nfs/dbraw/zinc/77/34/14/600773414.db2.gz PXASGPRUSMEBKK-GFCCVEGCSA-N -1 0 329.400 3.583 20 0 EHADRM CC(C)(CC(=O)[O-])NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 ZINC000736309622 600782584 /nfs/dbraw/zinc/78/25/84/600782584.db2.gz DVOKUEIQWLJVLG-CSKARUKUSA-N -1 0 347.411 3.937 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2C[C@]23CCc2ccccc23)ccc1Cl ZINC000685019933 600784597 /nfs/dbraw/zinc/78/45/97/600784597.db2.gz IEUTVBOKSQZOFV-KXBFYZLASA-N -1 0 341.794 3.881 20 0 EHADRM O=C([O-])C1(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)CCCCCC1 ZINC000833129219 600784857 /nfs/dbraw/zinc/78/48/57/600784857.db2.gz WTVVFMCJHFHJJP-YLJYHZDGSA-N -1 0 341.451 3.574 20 0 EHADRM Cc1ccc(C)c(C(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)c1 ZINC000237641281 600796645 /nfs/dbraw/zinc/79/66/45/600796645.db2.gz SRNIYNVXVTUHJY-UHFFFAOYSA-N -1 0 347.361 3.699 20 0 EHADRM CCc1ccsc1C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000776673591 600802578 /nfs/dbraw/zinc/80/25/78/600802578.db2.gz NOKBYWGZKVJMMA-ZDUSSCGKSA-N -1 0 337.828 3.910 20 0 EHADRM Cc1ccc(S[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)cc1C ZINC000832957511 600804428 /nfs/dbraw/zinc/80/44/28/600804428.db2.gz KYJXNIQKCPCBPE-AWEZNQCLSA-N -1 0 347.461 3.961 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)Nc1cccc(F)c1C ZINC000832917954 600807248 /nfs/dbraw/zinc/80/72/48/600807248.db2.gz ROOGRUVJOGYYTE-GFCCVEGCSA-N -1 0 330.359 3.580 20 0 EHADRM C[C@H](CCOc1ccccc1)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000827417502 600818208 /nfs/dbraw/zinc/81/82/08/600818208.db2.gz KRGAVGSDSSRLRP-LLVKDONJSA-N -1 0 349.333 3.707 20 0 EHADRM Cc1c(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)cccc1C(=O)[O-] ZINC000675965777 600830254 /nfs/dbraw/zinc/83/02/54/600830254.db2.gz AAHWOPWEXNWDCV-STQMWFEESA-N -1 0 331.318 3.714 20 0 EHADRM CCO[C@H]1CCCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC000652394876 600831776 /nfs/dbraw/zinc/83/17/76/600831776.db2.gz LSGOHIJHFVVEJS-INIZCTEOSA-N -1 0 346.452 3.509 20 0 EHADRM Cc1ccc(C)c([C@@H]2CN(Cc3cc(C(=O)[O-])co3)[C@H](C)CO2)c1 ZINC000567905930 600834932 /nfs/dbraw/zinc/83/49/32/600834932.db2.gz WZXOQADRVZDMKP-KDOFPFPSSA-N -1 0 329.396 3.557 20 0 EHADRM Cc1cc(C)cc(C2(C(=O)N3C[C@@H](CC(=O)[O-])c4ccccc43)CC2)c1 ZINC000738363077 600846884 /nfs/dbraw/zinc/84/68/84/600846884.db2.gz BHBWWNBAKQXHPD-MRXNPFEDSA-N -1 0 349.430 3.940 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@@H]2SCCc3sccc32)c1 ZINC000238150924 600851046 /nfs/dbraw/zinc/85/10/46/600851046.db2.gz XSOOLLMIELGPTC-CYBMUJFWSA-N -1 0 337.397 3.555 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)C[C@H]2CCc3ccccc32)c2ccccc21 ZINC000739642136 600851168 /nfs/dbraw/zinc/85/11/68/600851168.db2.gz NLJIWEXCOZYHLD-CVEARBPZSA-N -1 0 335.403 3.712 20 0 EHADRM CC(C)[C@@H](C(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000262574496 600860820 /nfs/dbraw/zinc/86/08/20/600860820.db2.gz NWRPZNBKQDDPPD-GOSISDBHSA-N -1 0 327.380 3.528 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)c2ccccc2C(F)(F)F)c2ccccc21 ZINC000327233844 600861863 /nfs/dbraw/zinc/86/18/63/600861863.db2.gz RYVDJZVIURCMMT-LLVKDONJSA-N -1 0 349.308 3.924 20 0 EHADRM CCCc1nc(C)c(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)s1 ZINC000737049785 600861892 /nfs/dbraw/zinc/86/18/92/600861892.db2.gz DFELMQRHZDBVCQ-LBPRGKRZSA-N -1 0 344.436 3.623 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2CCCc3ccccc32)c2ccccc21 ZINC000327514855 600863321 /nfs/dbraw/zinc/86/33/21/600863321.db2.gz HGABKPJRFVNMOC-CRAIPNDOSA-N -1 0 335.403 3.712 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000739641650 600863714 /nfs/dbraw/zinc/86/37/14/600863714.db2.gz KZSQQLXNXBQLDO-XOKHGSTOSA-N -1 0 339.366 3.534 20 0 EHADRM CCc1[nH]c(C(=O)N2CCCC[C@@H]2c2ccc(C)o2)c(C)c1C(=O)[O-] ZINC000737239525 600866087 /nfs/dbraw/zinc/86/60/87/600866087.db2.gz BMSIKLAYSMYOPX-CQSZACIVSA-N -1 0 344.411 3.853 20 0 EHADRM CCC/C(C)=C/C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000736958380 600868337 /nfs/dbraw/zinc/86/83/37/600868337.db2.gz ACLIMZHEIXECBB-VMPITWQZSA-N -1 0 344.180 3.971 20 0 EHADRM C[C@@H](C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br)C(C)(C)C ZINC000736217133 600868428 /nfs/dbraw/zinc/86/84/28/600868428.db2.gz VHOIHQHYVBBBCK-ZETCQYMHSA-N -1 0 346.196 3.907 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccccc2)c(Br)cc1F ZINC000739458226 600868696 /nfs/dbraw/zinc/86/86/96/600868696.db2.gz IWNXMFWFGXJQKY-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM Cc1noc(C(F)F)c1C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000833019463 600868858 /nfs/dbraw/zinc/86/88/58/600868858.db2.gz MOBMRRCWQXKGBA-JTQLQIEISA-N -1 0 345.685 3.557 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000183953705 600868879 /nfs/dbraw/zinc/86/88/79/600868879.db2.gz OQCATLAZMGJTAH-NXEZZACHSA-N -1 0 329.368 3.831 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2CC=CCC2)c(Br)cc1F ZINC000740081063 600870297 /nfs/dbraw/zinc/87/02/97/600870297.db2.gz KGQUUSRIQBQILA-QMMMGPOBSA-N -1 0 342.164 3.581 20 0 EHADRM CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000320692641 600871005 /nfs/dbraw/zinc/87/10/05/600871005.db2.gz MUDUTGJQYBGMSB-GHMZBOCLSA-N -1 0 344.238 3.843 20 0 EHADRM C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000191572946 600872051 /nfs/dbraw/zinc/87/20/51/600872051.db2.gz MROALCHEDGPBSQ-AGIUHOORSA-N -1 0 346.452 3.707 20 0 EHADRM C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000249305082 600872146 /nfs/dbraw/zinc/87/21/46/600872146.db2.gz MROALCHEDGPBSQ-FRRDWIJNSA-N -1 0 346.452 3.707 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)c2)cs1 ZINC000191558022 600872252 /nfs/dbraw/zinc/87/22/52/600872252.db2.gz OSZZYYSBQHCQEY-UONOGXRCSA-N -1 0 344.436 3.948 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000245983153 600873606 /nfs/dbraw/zinc/87/36/06/600873606.db2.gz PRMFTVAMEPXBJV-LZWOXQAQSA-N -1 0 335.831 3.798 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)Nc3ccc(F)c(C(=O)[O-])c3)c2c1 ZINC000776630486 600876335 /nfs/dbraw/zinc/87/63/35/600876335.db2.gz MAGJULSBSACDOU-UHFFFAOYSA-N -1 0 340.354 3.885 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1ccccc1F ZINC000486280881 600880305 /nfs/dbraw/zinc/88/03/05/600880305.db2.gz GKLXJPIHEUYATR-GFCCVEGCSA-N -1 0 329.371 3.930 20 0 EHADRM O=C([O-])c1cccc(-c2nc(C[S@](=O)C3CCCC3)cs2)c1 ZINC000833326224 600882140 /nfs/dbraw/zinc/88/21/40/600882140.db2.gz IYVDSSHQVCQPPH-QFIPXVFZSA-N -1 0 335.450 3.700 20 0 EHADRM Cc1cc2cc(C(=O)N3C[C@H](C(=O)[O-])c4ccccc43)oc2cc1C ZINC000192941150 600882218 /nfs/dbraw/zinc/88/22/18/600882218.db2.gz RRAXAAONVAHLCN-HNNXBMFYSA-N -1 0 335.359 3.878 20 0 EHADRM CC(C)CN(CCc1ccccc1)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000826881085 600886328 /nfs/dbraw/zinc/88/63/28/600886328.db2.gz CXLLJLMDPRJEBF-QZTJIDSGSA-N -1 0 331.456 3.605 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000829009369 600887907 /nfs/dbraw/zinc/88/79/07/600887907.db2.gz CPAFVVUZQVMEMR-JQFCIGGWSA-N -1 0 348.443 3.767 20 0 EHADRM CC[C@@H](Nc1cc(Br)cc(C(F)(F)F)c1)C(=O)[O-] ZINC000088188242 600895222 /nfs/dbraw/zinc/89/52/22/600895222.db2.gz LKHBXXUYHFRCFW-SECBINFHSA-N -1 0 326.112 3.743 20 0 EHADRM Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000833023894 600900999 /nfs/dbraw/zinc/90/09/99/600900999.db2.gz LMQDNSQUVHRXKJ-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)Nc1ccc2nc(C(C)(C)C)sc2c1 ZINC000826711032 600901246 /nfs/dbraw/zinc/90/12/46/600901246.db2.gz ZDETXXRWXWTGPT-ZDUSSCGKSA-N -1 0 349.456 3.825 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000357414726 600903014 /nfs/dbraw/zinc/90/30/14/600903014.db2.gz DTMCKTAZMCLHIP-SJCJKPOMSA-N -1 0 327.355 3.747 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)c2)[nH]c1C ZINC000832991518 600908497 /nfs/dbraw/zinc/90/84/97/600908497.db2.gz KIFFALVZBXRXBZ-HUUCEWRRSA-N -1 0 341.411 3.523 20 0 EHADRM Cc1[nH]c2c(cc(C)cc2CNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1C ZINC000262578038 600911686 /nfs/dbraw/zinc/91/16/86/600911686.db2.gz PDWCGZAHNVLNCT-CABCVRRESA-N -1 0 342.439 3.600 20 0 EHADRM CC(C)C[C@@H](CNC(=O)c1ccc(SC(F)(F)F)cc1)C(=O)[O-] ZINC000321735045 600917245 /nfs/dbraw/zinc/91/72/45/600917245.db2.gz OTQLUCFPLOYUKG-NSHDSACASA-N -1 0 349.374 3.775 20 0 EHADRM CC(C)C[C@H](CNC(=O)C1(c2ccccc2F)CCCC1)C(=O)[O-] ZINC000486283147 600920252 /nfs/dbraw/zinc/92/02/52/600920252.db2.gz LSGJUJGMNLESJW-CQSZACIVSA-N -1 0 335.419 3.501 20 0 EHADRM CC(C)C[C@@H](CNC(=O)CCc1ccc2ccccc2c1)C(=O)[O-] ZINC000486294167 600924487 /nfs/dbraw/zinc/92/44/87/600924487.db2.gz NDQMCJRLFICESY-SFHVURJKSA-N -1 0 327.424 3.636 20 0 EHADRM Cc1nc(-c2ccccc2)c(C(=O)NC[C@H](CC(C)C)C(=O)[O-])s1 ZINC000192890316 600924822 /nfs/dbraw/zinc/92/48/22/600924822.db2.gz VRWAJSQSWFBGSK-AWEZNQCLSA-N -1 0 346.452 3.595 20 0 EHADRM CC(C)C[C@H](CNC(=O)C[C@@H](c1ccccc1)C(F)(F)F)C(=O)[O-] ZINC000262522459 600925772 /nfs/dbraw/zinc/92/57/72/600925772.db2.gz QWKSUTDQSWKZOV-KGLIPLIRSA-N -1 0 345.361 3.586 20 0 EHADRM CC(C)(Cc1ccccc1Cl)NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000179999199 600929226 /nfs/dbraw/zinc/92/92/26/600929226.db2.gz QONJSDIEXKAYHZ-OLZOCXBDSA-N -1 0 337.847 3.668 20 0 EHADRM COc1ccccc1[C@@H]1CCCCN1C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000832601159 600935310 /nfs/dbraw/zinc/93/53/10/600935310.db2.gz FXUPFEQBMJTWKJ-ZOBUZTSGSA-N -1 0 345.439 3.640 20 0 EHADRM CCCC[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)[O-] ZINC000736984498 600936126 /nfs/dbraw/zinc/93/61/26/600936126.db2.gz JPAGBLIAXKKHHF-AWEZNQCLSA-N -1 0 331.441 3.880 20 0 EHADRM C[C@@H]1CN(C(=O)Cn2cc(C(=O)[O-])c3ccccc32)[C@H]1c1ccccc1 ZINC000828347770 600936941 /nfs/dbraw/zinc/93/69/41/600936941.db2.gz GCWLYJLMDZGUGL-JLTOFOAXSA-N -1 0 348.402 3.559 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1cc2ccccc2s1 ZINC000647194256 600940574 /nfs/dbraw/zinc/94/05/74/600940574.db2.gz HAEXNEKIWXWRPF-FPMFFAJLSA-N -1 0 331.437 3.970 20 0 EHADRM Cc1ccc(C)c2sc(NC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)nc21 ZINC000832925391 600941791 /nfs/dbraw/zinc/94/17/91/600941791.db2.gz MLJCREKJYYNMRE-RYUDHWBXSA-N -1 0 332.425 3.743 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)OCc1cccc(C(=O)[O-])c1 ZINC000827427380 600944692 /nfs/dbraw/zinc/94/46/92/600944692.db2.gz HGGMSYLJNXPIFX-CYBMUJFWSA-N -1 0 330.355 3.836 20 0 EHADRM C[C@H](C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1)c1cccc(F)c1 ZINC000826061167 600947869 /nfs/dbraw/zinc/94/78/69/600947869.db2.gz CCBOGXOGZYYRJY-ZUZCIYMTSA-N -1 0 336.746 3.952 20 0 EHADRM CC(C)C[C@@H](OC(=O)[C@@H](C)c1ccc(Br)s1)C(=O)[O-] ZINC000826814199 600949192 /nfs/dbraw/zinc/94/91/92/600949192.db2.gz QYCZNPOZTKQASV-DTWKUNHWSA-N -1 0 349.246 3.657 20 0 EHADRM Cc1cc(C(=O)O[C@@H](CC(C)C)C(=O)[O-])ccc1NC(=O)CC(C)C ZINC000832867500 600956095 /nfs/dbraw/zinc/95/60/95/600956095.db2.gz GIQOCHWKBBZSPS-INIZCTEOSA-N -1 0 349.427 3.636 20 0 EHADRM Cc1cc(C(=O)O[C@H](CC(C)C)C(=O)[O-])ccc1NC(=O)CC(C)C ZINC000832867501 600956259 /nfs/dbraw/zinc/95/62/59/600956259.db2.gz GIQOCHWKBBZSPS-MRXNPFEDSA-N -1 0 349.427 3.636 20 0 EHADRM Cc1ccc(-c2nc(CC(=O)O[C@@H](CC(C)C)C(=O)[O-])cs2)cc1 ZINC000832906979 600958293 /nfs/dbraw/zinc/95/82/93/600958293.db2.gz BPCPJKHETLAMFL-HNNXBMFYSA-N -1 0 347.436 3.704 20 0 EHADRM O=C([O-])C[C@@H]1CN(Cc2ccccc2OC(F)F)c2ccccc21 ZINC000325447050 600958674 /nfs/dbraw/zinc/95/86/74/600958674.db2.gz OSKOMKQJNWBHMR-CYBMUJFWSA-N -1 0 333.334 3.867 20 0 EHADRM COc1cccc(CCCN2C[C@@H](CC(=O)[O-])c3ccccc32)c1 ZINC000738094143 600959142 /nfs/dbraw/zinc/95/91/42/600959142.db2.gz FEOAQFYUDZDYSW-MRXNPFEDSA-N -1 0 325.408 3.706 20 0 EHADRM CCO[C@@H]1C[C@H](OC(=O)c2ccc(C(=O)[O-])s2)C12CCCCC2 ZINC000829931955 600961043 /nfs/dbraw/zinc/96/10/43/600961043.db2.gz YIODDTAACMTSGA-KGLIPLIRSA-N -1 0 338.425 3.731 20 0 EHADRM Cc1cccc(-c2noc(CN3C[C@H](CC(=O)[O-])c4ccccc43)n2)c1 ZINC000738680684 600962888 /nfs/dbraw/zinc/96/28/88/600962888.db2.gz JBJUCRPUSSFBQL-HNNXBMFYSA-N -1 0 349.390 3.624 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C1 ZINC000180017035 600963632 /nfs/dbraw/zinc/96/36/32/600963632.db2.gz PDYVGDZPNDMVAK-VVLHAWIVSA-N -1 0 329.440 3.590 20 0 EHADRM O=C([O-])c1ccc(-c2csc(NC(=O)CCC(F)(F)F)n2)cc1 ZINC000833096512 600964543 /nfs/dbraw/zinc/96/45/43/600964543.db2.gz NOYJOXMWTHSQFB-UHFFFAOYSA-N -1 0 344.314 3.789 20 0 EHADRM CC(C)c1nn(C)c2sc(C(=O)Nc3ccsc3C(=O)[O-])cc12 ZINC000827163861 600965624 /nfs/dbraw/zinc/96/56/24/600965624.db2.gz BLFVMMRHBFRGGX-UHFFFAOYSA-N -1 0 349.437 3.770 20 0 EHADRM COc1cccc(NC(=O)CCSCc2ccc(C(=O)[O-])cc2)c1 ZINC000832563029 600968682 /nfs/dbraw/zinc/96/86/82/600968682.db2.gz SWAFEUZBGPZQTP-UHFFFAOYSA-N -1 0 345.420 3.655 20 0 EHADRM C[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(F)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000581671723 600971862 /nfs/dbraw/zinc/97/18/62/600971862.db2.gz FRLWMTBTASOECQ-OCBCSQNSSA-N -1 0 347.361 3.553 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)o1 ZINC000180027710 600977375 /nfs/dbraw/zinc/97/73/75/600977375.db2.gz CSLPXJMTTGZOJG-OJLVUWQFSA-N -1 0 333.428 3.779 20 0 EHADRM CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)CC[C@@H]1c1ccccc1 ZINC000245755916 600980921 /nfs/dbraw/zinc/98/09/21/600980921.db2.gz UVHKNRIJFVVVKT-OWYHZJEWSA-N -1 0 343.467 3.920 20 0 EHADRM Cc1nc(S[C@@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)sc1C ZINC000738869631 600992390 /nfs/dbraw/zinc/99/23/90/600992390.db2.gz XFFQINBHYXMREG-JTQLQIEISA-N -1 0 338.454 3.767 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2ncoc2-c2ccccc2Cl)c1 ZINC000238226368 600994384 /nfs/dbraw/zinc/99/43/84/600994384.db2.gz SENSSJLMXCZOBL-UHFFFAOYSA-N -1 0 342.738 3.946 20 0 EHADRM CC(C)(C)c1cc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)no1 ZINC000736294722 600997542 /nfs/dbraw/zinc/99/75/42/600997542.db2.gz PGBWQYAKSICDGO-UHFFFAOYSA-N -1 0 348.424 3.863 20 0 EHADRM CCO[C@H]1C[C@@H](NC(=O)Nc2cc(C(=O)[O-])ccc2C)C12CCCC2 ZINC000829925121 600998493 /nfs/dbraw/zinc/99/84/93/600998493.db2.gz NPPJHXANGBDFNW-CVEARBPZSA-N -1 0 346.427 3.553 20 0 EHADRM C/C(=C\C(=O)NC1(C(=O)[O-])CCCC1)c1ccccc1C(F)(F)F ZINC000736119795 601001483 /nfs/dbraw/zinc/00/14/83/601001483.db2.gz CAXBGLMJTTZDKA-ZHACJKMWSA-N -1 0 341.329 3.622 20 0 EHADRM Cn1c(C(=O)Nc2cccc(F)c2C(=O)[O-])ccc1-c1ccccc1 ZINC000739012814 601009507 /nfs/dbraw/zinc/00/95/07/601009507.db2.gz QRLYGTFBPKJIPW-UHFFFAOYSA-N -1 0 338.338 3.782 20 0 EHADRM Cn1c(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)ccc1-c1ccccc1 ZINC000192941185 601010252 /nfs/dbraw/zinc/01/02/52/601010252.db2.gz BXCHMNHKKCUCDK-INIZCTEOSA-N -1 0 346.386 3.521 20 0 EHADRM C[C@H]1CCC[C@H](C)N(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000828233467 601012600 /nfs/dbraw/zinc/01/26/00/601012600.db2.gz PPTFCNYNXHVUJI-UWVGGRQHSA-N -1 0 326.343 3.705 20 0 EHADRM CC1(C)CN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CCCO1 ZINC000828074829 601012890 /nfs/dbraw/zinc/01/28/90/601012890.db2.gz SSAQQIRYOIHHSZ-ZDUSSCGKSA-N -1 0 332.227 3.620 20 0 EHADRM CCSCC[C@H](C)NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000160581064 601013703 /nfs/dbraw/zinc/01/37/03/601013703.db2.gz RALRJIMYLKAWBS-VIFPVBQESA-N -1 0 330.837 3.691 20 0 EHADRM CCOc1ccccc1OCCN1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000393043383 601014911 /nfs/dbraw/zinc/01/49/11/601014911.db2.gz YTIUTGMDJOWECX-HNNXBMFYSA-N -1 0 341.407 3.543 20 0 EHADRM Cc1cnc([C@H](NC(=O)Nc2cccc(C(=O)[O-])c2C)C2CC2)s1 ZINC000832985879 601015877 /nfs/dbraw/zinc/01/58/77/601015877.db2.gz QFKIWRWPKRNJHG-CQSZACIVSA-N -1 0 345.424 3.731 20 0 EHADRM Cc1cccc(N(CC(=O)[O-])C(=O)C[C@@H](c2ccccc2)C(C)C)n1 ZINC000738718912 601016943 /nfs/dbraw/zinc/01/69/43/601016943.db2.gz BYZKBAHLXHZYMI-QGZVFWFLSA-N -1 0 340.423 3.638 20 0 EHADRM CN(Cc1ccc(NC(=O)c2cc3cccc(F)c3o2)cc1)C(=O)[O-] ZINC000737485502 601017896 /nfs/dbraw/zinc/01/78/96/601017896.db2.gz QUJQUDBDRRHRPO-UHFFFAOYSA-N -1 0 342.326 3.934 20 0 EHADRM Cn1c(C(=O)Nc2ccc(CNC(=O)[O-])cc2)ccc1-c1ccccc1 ZINC000739012615 601018428 /nfs/dbraw/zinc/01/84/28/601018428.db2.gz KMSVTLNDFCTBFC-UHFFFAOYSA-N -1 0 349.390 3.712 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccccc1OC1CCCC1)C(=O)[O-] ZINC000826775088 601021518 /nfs/dbraw/zinc/02/15/18/601021518.db2.gz BGCFPUKICKUUEV-CQSZACIVSA-N -1 0 348.443 3.876 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)CCSc1ccc(F)cc1 ZINC000739892415 601024128 /nfs/dbraw/zinc/02/41/28/601024128.db2.gz PTROCRIQDBCJJM-UHFFFAOYSA-N -1 0 334.368 3.541 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)N[C@H]2C[C@H]2Cc2ccccc2)c1 ZINC000833289223 601024559 /nfs/dbraw/zinc/02/45/59/601024559.db2.gz QJBUSJPRXHMJEC-CJNGLKHVSA-N -1 0 325.368 3.529 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1)Sc1ccccc1 ZINC000827487236 601025742 /nfs/dbraw/zinc/02/57/42/601025742.db2.gz YKUUPLHKVWTECT-LLVKDONJSA-N -1 0 348.399 3.826 20 0 EHADRM C[C@H](C(=O)N(CCC(=O)[O-])c1cccc(F)c1)c1cccc(F)c1 ZINC000736199386 601026801 /nfs/dbraw/zinc/02/68/01/601026801.db2.gz JDLKVCRRJNFZSW-LBPRGKRZSA-N -1 0 333.334 3.576 20 0 EHADRM CCOCC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000737160909 601033241 /nfs/dbraw/zinc/03/32/41/601033241.db2.gz AQNSKNKPZABGSH-UHFFFAOYSA-N -1 0 349.770 3.806 20 0 EHADRM CC1(C)CCCN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)CC1 ZINC000828065084 601034911 /nfs/dbraw/zinc/03/49/11/601034911.db2.gz LZRHTPRKPONAGY-UHFFFAOYSA-N -1 0 334.416 3.584 20 0 EHADRM CCC[C@H]1[C@H](C)CCCN1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000829245877 601035258 /nfs/dbraw/zinc/03/52/58/601035258.db2.gz PTDVWPXYJDAXSZ-PBHICJAKSA-N -1 0 348.443 3.973 20 0 EHADRM CCSCC[C@@H](C)N(C)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000830164194 601037517 /nfs/dbraw/zinc/03/75/17/601037517.db2.gz RDQNKLCFXRNOMB-SNVBAGLBSA-N -1 0 343.424 3.911 20 0 EHADRM C[C@H](CC(=O)N(c1ncc(C(=O)[O-])s1)C1CC1)C1CCCCC1 ZINC000736545487 601038028 /nfs/dbraw/zinc/03/80/28/601038028.db2.gz QHSAEAHHDQKGKX-LLVKDONJSA-N -1 0 336.457 3.943 20 0 EHADRM CC(C)=C[C@H]1[C@@H](C(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)C1(C)C ZINC000736343968 601039172 /nfs/dbraw/zinc/03/91/72/601039172.db2.gz MJBKXOKDLGCPKA-AAEUAGOBSA-N -1 0 334.441 3.575 20 0 EHADRM CCC(CC)c1cc(CNC(=O)Nc2ccc(C(=O)[O-])c(C)c2)on1 ZINC000828863043 601040373 /nfs/dbraw/zinc/04/03/73/601040373.db2.gz SYADVIMIPKAPSV-UHFFFAOYSA-N -1 0 345.399 3.907 20 0 EHADRM O=C([O-])c1cnc(N(C(=O)/C=C\c2ccccc2Cl)C2CC2)s1 ZINC000740254507 601040577 /nfs/dbraw/zinc/04/05/77/601040577.db2.gz OPAYZQJPWPXJNA-YVMONPNESA-N -1 0 348.811 3.704 20 0 EHADRM CN(CCc1cccs1)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000830831152 601050803 /nfs/dbraw/zinc/05/08/03/601050803.db2.gz SFCYWUPOKZPCSL-UHFFFAOYSA-N -1 0 347.440 3.564 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N1Cc2ccccc2[C@@H]1C)C(=O)[O-] ZINC000574292318 601059624 /nfs/dbraw/zinc/05/96/24/601059624.db2.gz LFUITMDXUNFNJK-QWHCGFSZSA-N -1 0 341.432 3.969 20 0 EHADRM O=C([O-])[C@H](OC(=O)CCSc1ccccc1)c1ccccc1F ZINC000833100824 601060383 /nfs/dbraw/zinc/06/03/83/601060383.db2.gz HLAPZBJXFAAWQC-MRXNPFEDSA-N -1 0 334.368 3.677 20 0 EHADRM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000828151294 601060926 /nfs/dbraw/zinc/06/09/26/601060926.db2.gz UXIQCHKGUKITLW-HOCLYGCPSA-N -1 0 338.407 3.870 20 0 EHADRM O=C([O-])[C@H](OC(=O)Cc1cccc2ccccc21)c1ccccc1F ZINC000833118613 601061958 /nfs/dbraw/zinc/06/19/58/601061958.db2.gz LGWJJOJENHZSDG-LJQANCHMSA-N -1 0 338.334 3.891 20 0 EHADRM O=C([O-])[C@H](OC(=O)/C=C\c1ccco1)c1ccc(Cl)cc1Cl ZINC000833095571 601064075 /nfs/dbraw/zinc/06/40/75/601064075.db2.gz UJFYPWBREKEBOM-KXQLTZBTSA-N -1 0 341.146 3.969 20 0 EHADRM CC/C(=C\C(=O)NC1CCC(C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000828549282 601066663 /nfs/dbraw/zinc/06/66/63/601066663.db2.gz LFXGTUUREAXALV-VAWYXSNFSA-N -1 0 335.831 3.893 20 0 EHADRM CC/C(=C/C(=O)NC1CCC(C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000828549280 601066701 /nfs/dbraw/zinc/06/67/01/601066701.db2.gz LFXGTUUREAXALV-QXMHVHEDSA-N -1 0 335.831 3.893 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)c1 ZINC000833152508 601070133 /nfs/dbraw/zinc/07/01/33/601070133.db2.gz DVSBKSAPKNSBII-BLLLJJGKSA-N -1 0 344.798 3.791 20 0 EHADRM O=C([O-])[C@@H](OC(=O)/C=C/c1ccc(Cl)s1)c1ccccc1F ZINC000833095639 601071359 /nfs/dbraw/zinc/07/13/59/601071359.db2.gz WHWIAVSSCMVDDC-OWNNVSBGSA-N -1 0 340.759 3.923 20 0 EHADRM CC[C@@H](C)N(C)C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000828753148 601074013 /nfs/dbraw/zinc/07/40/13/601074013.db2.gz GSKCPOGUGQPQAH-SSDOTTSWSA-N -1 0 347.184 3.549 20 0 EHADRM CC[C@H](CC(=O)NC[C@H](C(=O)[O-])c1ccccc1)c1ccc(C)cc1 ZINC000262405217 601074470 /nfs/dbraw/zinc/07/44/70/601074470.db2.gz APYNIZOAFOCUBV-APWZRJJASA-N -1 0 339.435 3.863 20 0 EHADRM O=C([O-])CC1CCN(C(=O)Nc2ccc(CC(F)(F)F)cc2)CC1 ZINC000833212778 601074593 /nfs/dbraw/zinc/07/45/93/601074593.db2.gz FUSZCPLTCSRXPU-UHFFFAOYSA-N -1 0 344.333 3.510 20 0 EHADRM Cc1ccc(F)c(C(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c1 ZINC000832936154 601082351 /nfs/dbraw/zinc/08/23/51/601082351.db2.gz ZHMOKLHDKNNBHM-RHSMWYFYSA-N -1 0 333.403 3.630 20 0 EHADRM CCCCc1ccc(C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000324855357 601082676 /nfs/dbraw/zinc/08/26/76/601082676.db2.gz FWBWDLDQDVKIJO-GOSISDBHSA-N -1 0 325.408 3.627 20 0 EHADRM Cc1[nH]c(C(=O)N2C[C@@H](C)C[C@H]2c2cccc(F)c2)c(C)c1C(=O)[O-] ZINC000738162638 601085731 /nfs/dbraw/zinc/08/57/31/601085731.db2.gz WZKZXWNSQNXUAP-BONVTDFDSA-N -1 0 344.386 3.692 20 0 EHADRM C[C@@H](CNC(=O)c1ccccc1NC(=O)[O-])Oc1ccccc1Cl ZINC000736605953 601087373 /nfs/dbraw/zinc/08/73/73/601087373.db2.gz XGBZKJNVJBXISI-NSHDSACASA-N -1 0 348.786 3.627 20 0 EHADRM CCCn1c2ccccc2c2nnc(SC/C=C(/C)C(=O)[O-])nc21 ZINC000737051518 601098961 /nfs/dbraw/zinc/09/89/61/601098961.db2.gz VPSFIKDJVBOWDK-FLIBITNWSA-N -1 0 342.424 3.513 20 0 EHADRM Cc1ccc(OCCC(=O)O[C@H](C(=O)[O-])c2ccccc2F)cc1C ZINC000832951151 601099500 /nfs/dbraw/zinc/09/95/00/601099500.db2.gz KJAWCJLPZKICBU-SFHVURJKSA-N -1 0 346.354 3.581 20 0 EHADRM O=C([O-])CC1CCN(C(=O)Nc2cccc(CC(F)(F)F)c2)CC1 ZINC000833213172 601100908 /nfs/dbraw/zinc/10/09/08/601100908.db2.gz MWTONZRKGXQSMV-UHFFFAOYSA-N -1 0 344.333 3.510 20 0 EHADRM CCN(C(=O)c1cc2cc(C)ccc2o1)c1ncc(C(=O)[O-])s1 ZINC000737058210 601125358 /nfs/dbraw/zinc/12/53/58/601125358.db2.gz NDQPZGAQXNDDTL-UHFFFAOYSA-N -1 0 330.365 3.563 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NCC2(c3ccccc3)CCCC2)C1 ZINC000183972049 601126286 /nfs/dbraw/zinc/12/62/86/601126286.db2.gz NWXMIJULDDZOMC-JKSUJKDBSA-N -1 0 329.440 3.506 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)c2c(F)c(F)cc(F)c2F)c1 ZINC000833317208 601126906 /nfs/dbraw/zinc/12/69/06/601126906.db2.gz OAKLCXHXPDTMBU-UHFFFAOYSA-N -1 0 347.651 3.847 20 0 EHADRM Cc1cnc([C@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)s1 ZINC000316852252 601130098 /nfs/dbraw/zinc/13/00/98/601130098.db2.gz HRPIYYZHYVABHP-QMMMGPOBSA-N -1 0 339.804 3.686 20 0 EHADRM Cc1cnc([C@H](C)NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)s1 ZINC000317530920 601131141 /nfs/dbraw/zinc/13/11/41/601131141.db2.gz JDHSBIPMTWJVQL-QMMMGPOBSA-N -1 0 339.804 3.686 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)c1 ZINC000833289143 601136377 /nfs/dbraw/zinc/13/63/77/601136377.db2.gz OWSZSMURHXVEEV-UHFFFAOYSA-N -1 0 349.346 3.588 20 0 EHADRM CCN(CCc1cccs1)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000829714077 601136615 /nfs/dbraw/zinc/13/66/15/601136615.db2.gz YOXBREJOCGZXDS-UHFFFAOYSA-N -1 0 332.425 3.851 20 0 EHADRM Cc1csc([C@@H](NC(=O)Nc2ccc(C)c(C(=O)[O-])c2)C2CC2)n1 ZINC000832988892 601144618 /nfs/dbraw/zinc/14/46/18/601144618.db2.gz MYDSEVDQBNKCEO-AWEZNQCLSA-N -1 0 345.424 3.731 20 0 EHADRM COc1ccc([C@@H](C)N(C)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000832221299 601145059 /nfs/dbraw/zinc/14/50/59/601145059.db2.gz XYNDBIQJWCWGMC-CYBMUJFWSA-N -1 0 342.395 3.927 20 0 EHADRM O=C([O-])CN(C(=O)CCc1ccc(Cl)s1)c1cccc(F)c1 ZINC000833244653 601145226 /nfs/dbraw/zinc/14/52/26/601145226.db2.gz CNSUPXZZLYAXHH-UHFFFAOYSA-N -1 0 341.791 3.591 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)CCCc1ccc(C)s1 ZINC000831913681 601146304 /nfs/dbraw/zinc/14/63/04/601146304.db2.gz UOGDYPSMMYMZRT-UHFFFAOYSA-N -1 0 334.393 3.692 20 0 EHADRM Cc1ccc(OC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c(Br)c1 ZINC000832953471 601147558 /nfs/dbraw/zinc/14/75/58/601147558.db2.gz SZRYMZFIDCHTBJ-GHMZBOCLSA-N -1 0 341.201 3.554 20 0 EHADRM CC[C@H](C)[C@@H](C)N(C(=O)NCCc1ccc(C(=O)[O-])cc1)C1CC1 ZINC000828708770 601147715 /nfs/dbraw/zinc/14/77/15/601147715.db2.gz NMTJPYXQORXUOB-UONOGXRCSA-N -1 0 332.444 3.536 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1cc(SC)ccc1C ZINC000832524229 601151554 /nfs/dbraw/zinc/15/15/54/601151554.db2.gz SKOUOMVJOMFEAB-UHFFFAOYSA-N -1 0 332.377 3.643 20 0 EHADRM CSc1ccsc1C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832790767 601166878 /nfs/dbraw/zinc/16/68/78/601166878.db2.gz RVKKYFBTKUAVMP-GWCFXTLKSA-N -1 0 335.450 3.662 20 0 EHADRM CSCc1ccc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000237386962 601166897 /nfs/dbraw/zinc/16/68/97/601166897.db2.gz JMDDANUGDLIANP-DYVFJYSZSA-N -1 0 343.448 3.741 20 0 EHADRM C[C@H](NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)[C@@H](C)c1ccccc1 ZINC000827664015 601176367 /nfs/dbraw/zinc/17/63/67/601176367.db2.gz BNRHKUYWXCQRJP-MNOVXSKESA-N -1 0 348.349 3.977 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)OCc2cc(Cl)cc3cccnc32)C1 ZINC000833188454 601180654 /nfs/dbraw/zinc/18/06/54/601180654.db2.gz NCYZEQMAUYLDDR-STQMWFEESA-N -1 0 347.798 3.822 20 0 EHADRM Cc1ccc2c(CC(=O)NC3(CC(=O)[O-])CCCCC3)coc2c1 ZINC000392533650 601184135 /nfs/dbraw/zinc/18/41/35/601184135.db2.gz VNABVGIYKQGZLL-UHFFFAOYSA-N -1 0 329.396 3.578 20 0 EHADRM O=C([O-])CC1(NC(=O)CCSc2ccc(F)cc2)CCCCC1 ZINC000391301237 601184357 /nfs/dbraw/zinc/18/43/57/601184357.db2.gz UREDQFHJGGTCSG-UHFFFAOYSA-N -1 0 339.432 3.602 20 0 EHADRM Cc1nc2cc(F)ccc2cc1C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000532000147 601185852 /nfs/dbraw/zinc/18/58/52/601185852.db2.gz HDJGTYUSMMBPGH-UHFFFAOYSA-N -1 0 344.386 3.590 20 0 EHADRM Cc1oc(-c2cccs2)nc1C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000767057523 601186113 /nfs/dbraw/zinc/18/61/13/601186113.db2.gz AIWPKOGWBWHVBI-UHFFFAOYSA-N -1 0 348.424 3.619 20 0 EHADRM Cc1c(C(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)cnc2ccccc12 ZINC000832852918 601188949 /nfs/dbraw/zinc/18/89/49/601188949.db2.gz BVPXKUHAKHZYGP-LLVKDONJSA-N -1 0 325.320 3.752 20 0 EHADRM CCCCO[C@@H]1C[C@H](NC(=O)Nc2cccc(NC(=O)[O-])c2)C1(C)C ZINC000829413927 601191755 /nfs/dbraw/zinc/19/17/55/601191755.db2.gz ZFHWIZAJNFYDSS-LSDHHAIUSA-N -1 0 349.431 3.882 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)OCCCc2nc3ccccc3s2)C1 ZINC000833189546 601237943 /nfs/dbraw/zinc/23/79/43/601237943.db2.gz STEUAQGZKMCXQU-QWHCGFSZSA-N -1 0 347.436 3.663 20 0 EHADRM O=C([O-])c1ccc(NC[C@@H](Cc2ccccc2)c2ccccc2)nn1 ZINC000833320567 601253133 /nfs/dbraw/zinc/25/31/33/601253133.db2.gz SYRJRKDKHCFXOZ-QGZVFWFLSA-N -1 0 333.391 3.613 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2CC23CCCC3)cc1 ZINC000262237878 601269518 /nfs/dbraw/zinc/26/95/18/601269518.db2.gz XOBHTMYEURNOJL-CABCVRRESA-N -1 0 333.453 3.621 20 0 EHADRM Cc1cc(C)c(C(=O)Nc2nc(-c3ccc(C(=O)[O-])cc3)cs2)o1 ZINC000832871946 601271488 /nfs/dbraw/zinc/27/14/88/601271488.db2.gz DVZMTIRRODEFOY-UHFFFAOYSA-N -1 0 342.376 3.970 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C/C=C/c1cccc(F)c1)c1ccccc1 ZINC000238091553 601278083 /nfs/dbraw/zinc/27/80/83/601278083.db2.gz MJQWXTBZQCLLEC-QQOXCAACSA-N -1 0 327.355 3.561 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)C/C=C\c2ccc(F)cc2)C(=O)[O-])cc1 ZINC000486405173 601283730 /nfs/dbraw/zinc/28/37/30/601283730.db2.gz NJBBTQJDMKPKBO-LHRDXKRPSA-N -1 0 341.382 3.522 20 0 EHADRM CC(C)[C@H](C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000262063286 601284713 /nfs/dbraw/zinc/28/47/13/601284713.db2.gz DIYXYKWLFXRMDE-CVEARBPZSA-N -1 0 349.858 3.793 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)c1ccnc(C(=O)[O-])c1)C(C)(C)C ZINC000237672957 601293756 /nfs/dbraw/zinc/29/37/56/601293756.db2.gz YTFQFLIJFYOKAV-INIZCTEOSA-N -1 0 326.396 3.605 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cccc(-c2cscn2)c1 ZINC000828793971 601308624 /nfs/dbraw/zinc/30/86/24/601308624.db2.gz AJSZXBXQIAORLY-UHFFFAOYSA-N -1 0 332.425 3.573 20 0 EHADRM Cc1ccc(F)c(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000832935268 601309132 /nfs/dbraw/zinc/30/91/32/601309132.db2.gz DXLKDKOJMNMKST-AWEZNQCLSA-N -1 0 334.322 3.611 20 0 EHADRM Cn1cc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1C(=O)[O-] ZINC000833052131 601316039 /nfs/dbraw/zinc/31/60/39/601316039.db2.gz NCHNHVNBCSWKJW-UHFFFAOYSA-N -1 0 344.367 3.843 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNC1(c2nc(C)cs2)CCCC1 ZINC000830375629 601322177 /nfs/dbraw/zinc/32/21/77/601322177.db2.gz QACRPGSDZYTLPI-UHFFFAOYSA-N -1 0 334.441 3.864 20 0 EHADRM CCCCS[C@@H](C)c1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC000829430614 601365975 /nfs/dbraw/zinc/36/59/75/601365975.db2.gz HSOYQDUSWTXIBS-NSHDSACASA-N -1 0 336.413 3.941 20 0 EHADRM O=C([O-])c1cccc(OCc2noc(-c3ccc4ncccc4c3)n2)c1 ZINC000833332162 601366265 /nfs/dbraw/zinc/36/62/65/601366265.db2.gz JFAJKDRZVNKGCU-UHFFFAOYSA-N -1 0 347.330 3.562 20 0 EHADRM CCCn1c(C)cc(C(=O)COc2ccccc2NC(=O)[O-])c1C ZINC000829579432 601368758 /nfs/dbraw/zinc/36/87/58/601368758.db2.gz HGSUEKMPOKMPAK-UHFFFAOYSA-N -1 0 330.384 3.867 20 0 EHADRM C[C@H]1CCc2ccccc2N1C(=O)COc1ccccc1NC(=O)[O-] ZINC000828310865 601368940 /nfs/dbraw/zinc/36/89/40/601368940.db2.gz PSSLEQSSJWBXBE-ZDUSSCGKSA-N -1 0 340.379 3.523 20 0 EHADRM C[C@@H]1CCCN1c1cc(C(=O)[O-])nc2ccc(Br)cc21 ZINC000828272256 601378300 /nfs/dbraw/zinc/37/83/00/601378300.db2.gz YPFPJADOPRDBAH-SECBINFHSA-N -1 0 335.201 3.684 20 0 EHADRM COc1ccc(CN[C@H](C(=O)[O-])c2cc(F)ccc2F)c(Cl)c1 ZINC000683174655 601380048 /nfs/dbraw/zinc/38/00/48/601380048.db2.gz WEZOHVYSZZYXRF-HNNXBMFYSA-N -1 0 341.741 3.542 20 0 EHADRM Cc1nc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)sc1C(=O)[O-] ZINC000833001909 601383152 /nfs/dbraw/zinc/38/31/52/601383152.db2.gz BYRKHCUWMAWPST-UHFFFAOYSA-N -1 0 335.772 3.537 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1ccc(Cl)c(C(=O)OC)c1 ZINC000830379434 601390465 /nfs/dbraw/zinc/39/04/65/601390465.db2.gz WAJPZCIKSMERPD-UHFFFAOYSA-N -1 0 337.759 3.592 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1ccc(C(=O)NC(C)C)c(C)c1 ZINC000830379166 601390954 /nfs/dbraw/zinc/39/09/54/601390954.db2.gz LLTQSZJNKKSNGW-UHFFFAOYSA-N -1 0 344.411 3.599 20 0 EHADRM CC1(C)CCC[C@@H]1N(Cc1ccccc1)C(=S)NCCCC(=O)[O-] ZINC000828060599 601393850 /nfs/dbraw/zinc/39/38/50/601393850.db2.gz WYJAOQUYLITQLL-INIZCTEOSA-N -1 0 348.512 3.807 20 0 EHADRM C[C@H](CC(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-])c1ccccc1 ZINC000262533567 601394327 /nfs/dbraw/zinc/39/43/27/601394327.db2.gz SXQIWVMLBWGPCC-ZRGWGRIASA-N -1 0 325.408 3.758 20 0 EHADRM C/C(=C\COC(=O)c1cnc(-c2ccc(C)cc2C)s1)C(=O)[O-] ZINC000825787206 601421653 /nfs/dbraw/zinc/42/16/53/601421653.db2.gz YIJFXKVEUXCOOZ-IZZDOVSWSA-N -1 0 331.393 3.615 20 0 EHADRM C/C(=C/COC(=O)C[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000825759185 601428312 /nfs/dbraw/zinc/42/83/12/601428312.db2.gz XVWOOOCUEJFKCQ-ZJRUKIMVSA-N -1 0 330.302 3.773 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)s1 ZINC000833308577 601429555 /nfs/dbraw/zinc/42/95/55/601429555.db2.gz CASVLACBJBMTNO-UHFFFAOYSA-N -1 0 333.384 3.605 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)c2c(F)c(F)cc(F)c2F)cc1 ZINC000833289765 601449485 /nfs/dbraw/zinc/44/94/85/601449485.db2.gz JZOURMRHGGDWBX-UHFFFAOYSA-N -1 0 329.205 3.552 20 0 EHADRM CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000829020865 601449885 /nfs/dbraw/zinc/44/98/85/601449885.db2.gz MCKYICZVLUPEDP-OAHLLOKOSA-N -1 0 346.358 3.736 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CCSc1ccccc1Cl ZINC000236993705 601459895 /nfs/dbraw/zinc/45/98/95/601459895.db2.gz CQMZJENENIUQQU-HNNXBMFYSA-N -1 0 329.849 3.582 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H](C)c1ccccc1C(F)(F)F ZINC000828617601 601460493 /nfs/dbraw/zinc/46/04/93/601460493.db2.gz GYNYSEDANSTCEV-MEBBXXQBSA-N -1 0 331.334 3.569 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)CCc1ccc(-c2ccccc2F)o1 ZINC000237096159 601460987 /nfs/dbraw/zinc/46/09/87/601460987.db2.gz UZGJPNYRDXCFDC-LJQANCHMSA-N -1 0 347.386 3.778 20 0 EHADRM C[C@H](OC(=O)c1c[nH]cc1-c1ccccc1)c1ccc(C(=O)[O-])o1 ZINC000827844548 601461917 /nfs/dbraw/zinc/46/19/17/601461917.db2.gz PWVODYAJDHEKIW-NSHDSACASA-N -1 0 325.320 3.891 20 0 EHADRM CSc1ccc2cc(CN(CC(=O)[O-])C3CC3)c(Cl)nc2c1 ZINC000832785014 601464312 /nfs/dbraw/zinc/46/43/12/601464312.db2.gz FEXWEGVXKDPTIE-UHFFFAOYSA-N -1 0 336.844 3.659 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)c1cc(Cl)nc(Cl)c1 ZINC000830389715 601466187 /nfs/dbraw/zinc/46/61/87/601466187.db2.gz SAWIZEXKBNETPY-UHFFFAOYSA-N -1 0 344.150 3.599 20 0 EHADRM COc1cc(C(=O)[O-])cc(N[C@H]2CCc3ccc(F)cc32)c1OC ZINC000831913286 601472941 /nfs/dbraw/zinc/47/29/41/601472941.db2.gz OCXCQFJCHCUGNX-AWEZNQCLSA-N -1 0 331.343 3.641 20 0 EHADRM C[C@@H](CC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-])c1ccccc1F ZINC000262562748 601475434 /nfs/dbraw/zinc/47/54/34/601475434.db2.gz ZDJDSHPQJJDCRF-DJJJIMSYSA-N -1 0 341.382 3.530 20 0 EHADRM CC(C)COc1ccccc1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000656601823 601485324 /nfs/dbraw/zinc/48/53/24/601485324.db2.gz MPCICODCZUHWQE-UHFFFAOYSA-N -1 0 348.443 3.830 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)NCCCCCC(=O)[O-] ZINC000236765839 601498574 /nfs/dbraw/zinc/49/85/74/601498574.db2.gz HYLHBGSBWPVUOJ-UHFFFAOYSA-N -1 0 325.836 3.670 20 0 EHADRM Cc1ccc(/C=C\CC(=O)N(CCC(=O)[O-])Cc2ccccc2)cc1 ZINC000832928879 601500531 /nfs/dbraw/zinc/50/05/31/601500531.db2.gz XUGXVGJIZOCIQQ-YVMONPNESA-N -1 0 337.419 3.902 20 0 EHADRM C[C@H]1CC/C(=C/C(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)C1 ZINC000828207186 601501996 /nfs/dbraw/zinc/50/19/96/601501996.db2.gz IXEBQFUAMPNVHA-QFQXNISHSA-N -1 0 331.397 3.521 20 0 EHADRM O=C([O-])c1c(NC(=O)C2CC(F)(F)C2)sc2c1CCCCC2 ZINC000833293513 601505671 /nfs/dbraw/zinc/50/56/71/601505671.db2.gz ACOOMRYNJYJTIW-UHFFFAOYSA-N -1 0 329.368 3.699 20 0 EHADRM C[C@H]1C[C@H](CC(=O)N(CCC(=O)[O-])Cc2ccncc2)CC(C)(C)C1 ZINC000828167441 601512325 /nfs/dbraw/zinc/51/23/25/601512325.db2.gz GTFUWCBXNMDNEF-DOTOQJQBSA-N -1 0 346.471 3.737 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(Oc2ccc(F)cc2)cc1)C1CC1 ZINC000833200543 601520574 /nfs/dbraw/zinc/52/05/74/601520574.db2.gz UHFNTPDDCDSIJQ-KRWDZBQOSA-N -1 0 343.354 3.601 20 0 EHADRM Cc1ccc(NC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)c(Cl)c1 ZINC000237655685 601525341 /nfs/dbraw/zinc/52/53/41/601525341.db2.gz SMISKFPVXMMRPS-UHFFFAOYSA-N -1 0 347.798 3.981 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)C1(Cc2ccccc2)CC1 ZINC000833234003 601531502 /nfs/dbraw/zinc/53/15/02/601531502.db2.gz KZKNXKYBTVCVIP-UHFFFAOYSA-N -1 0 337.419 3.513 20 0 EHADRM CCCCCN(C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1)C(C)C ZINC000236738057 601533011 /nfs/dbraw/zinc/53/30/11/601533011.db2.gz IJLSWWWTNBFHIE-UHFFFAOYSA-N -1 0 335.444 3.808 20 0 EHADRM Cc1cccc(CN(C)[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)n1 ZINC000832968494 601536643 /nfs/dbraw/zinc/53/66/43/601536643.db2.gz YDSOEKRSFHCIJQ-HNNXBMFYSA-N -1 0 339.222 3.955 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1Cc1coc(-c2ccccc2)n1 ZINC000392724176 601542502 /nfs/dbraw/zinc/54/25/02/601542502.db2.gz RKLDEVXYFXZBSY-GOSISDBHSA-N -1 0 334.375 3.526 20 0 EHADRM O=C([O-])CCCNC(=O)N1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000263457391 601555325 /nfs/dbraw/zinc/55/53/25/601555325.db2.gz HSAHZKASZKFFKH-GZKZCVOOSA-N -1 0 330.428 3.519 20 0 EHADRM O=C([O-])CCCCNC(=O)N1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000666558637 601555442 /nfs/dbraw/zinc/55/54/42/601555442.db2.gz IVRHAERYMKDHON-KAUXGEHWSA-N -1 0 344.455 3.909 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc(Cl)s1)c1ccc(Cl)cc1 ZINC000345894674 601583645 /nfs/dbraw/zinc/58/36/45/601583645.db2.gz XBIKAUKQZBFLAW-LLVKDONJSA-N -1 0 330.192 3.611 20 0 EHADRM O=C([O-])[C@H](NC(=O)Cc1cc2ccccc2o1)c1ccc(Cl)cc1 ZINC000833117662 601586892 /nfs/dbraw/zinc/58/68/92/601586892.db2.gz ZMBUTGBEJDUTBZ-QGZVFWFLSA-N -1 0 343.766 3.571 20 0 EHADRM Cc1cccc(NC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)c1Cl ZINC000237691889 601597535 /nfs/dbraw/zinc/59/75/35/601597535.db2.gz XEOHVWPKNPQOFR-UHFFFAOYSA-N -1 0 347.798 3.981 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000238082445 601614670 /nfs/dbraw/zinc/61/46/70/601614670.db2.gz JQOYIPIXVWPUIC-HUUCEWRRSA-N -1 0 329.783 3.709 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)Nc1cc(F)cc(F)c1)c1ccccc1 ZINC000826038218 601616082 /nfs/dbraw/zinc/61/60/82/601616082.db2.gz DEYSTPWRDASASY-BONVTDFDSA-N -1 0 334.322 3.548 20 0 EHADRM Cc1ccc(-c2nc(C(=O)Nc3ccccc3CC(=O)[O-])cs2)o1 ZINC000237757088 601617208 /nfs/dbraw/zinc/61/72/08/601617208.db2.gz DHVPDONIFBXKMI-UHFFFAOYSA-N -1 0 342.376 3.591 20 0 EHADRM Cc1ccc(C(=O)Nc2ccccc2CC(=O)[O-])cc1Br ZINC000147309511 601617960 /nfs/dbraw/zinc/61/79/60/601617960.db2.gz VQUBNRGCMXNKTP-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM CCCCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(NC(=O)[O-])cc2)C1(C)C ZINC000829412695 601618495 /nfs/dbraw/zinc/61/84/95/601618495.db2.gz CZLWODKCONWUPQ-CVEARBPZSA-N -1 0 348.443 3.832 20 0 EHADRM O=C([O-])C[C@H](NC(=O)/C=C\c1cccs1)c1ccc(Cl)cc1 ZINC000776667316 601620903 /nfs/dbraw/zinc/62/09/03/601620903.db2.gz ZBROKHVZAOIFPQ-DANTVBBOSA-N -1 0 335.812 3.747 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)N2CCC[C@@H]3CCC[C@H]32)c1 ZINC000833263398 601624150 /nfs/dbraw/zinc/62/41/50/601624150.db2.gz NOMMWNPFHHMWKO-GOEBONIOSA-N -1 0 348.468 3.801 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000262265770 601624796 /nfs/dbraw/zinc/62/47/96/601624796.db2.gz ZNCXCVGPURPQCS-LLVKDONJSA-N -1 0 343.876 3.929 20 0 EHADRM Cc1ccc(Oc2ccccc2)c(NC(=O)NC[C@@H](C)C(=O)[O-])c1 ZINC000832953367 601628355 /nfs/dbraw/zinc/62/83/55/601628355.db2.gz IZUMFZLSYZGIGC-CYBMUJFWSA-N -1 0 328.368 3.630 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCCC[C@@H]2[C@H]2CCCCC2=O)cc1 ZINC000821543232 601629993 /nfs/dbraw/zinc/62/99/93/601629993.db2.gz HBZOQRCYTVBSNL-IAGOWNOFSA-N -1 0 343.423 3.529 20 0 EHADRM Cc1nc(C(=O)[O-])cn1CCOc1ccc(Oc2ccccc2)cc1 ZINC000832995392 601637848 /nfs/dbraw/zinc/63/78/48/601637848.db2.gz FBOMTZGAQZQSAO-UHFFFAOYSA-N -1 0 338.363 3.761 20 0 EHADRM C[C@H]1CN(Cc2ccc(C(=O)[O-])c(F)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000568289188 601642661 /nfs/dbraw/zinc/64/26/61/601642661.db2.gz UONNYXFXRFBBMG-SGTLLEGYSA-N -1 0 347.361 3.625 20 0 EHADRM Cc1sc(NC(=O)CCSc2ccccn2)c(C(=O)[O-])c1C ZINC000833034008 601644902 /nfs/dbraw/zinc/64/49/02/601644902.db2.gz LJSUUGJJFKXVIL-UHFFFAOYSA-N -1 0 336.438 3.579 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NCc1coc(-c2ccccc2)n1)c1ccccc1 ZINC000426714055 601652083 /nfs/dbraw/zinc/65/20/83/601652083.db2.gz BLADMSXWUUNNGZ-KDOFPFPSSA-N -1 0 336.391 3.893 20 0 EHADRM O=C([O-])CCCc1nc(CN(c2ccc(F)cc2)C2CCCC2)no1 ZINC000833229426 601662303 /nfs/dbraw/zinc/66/23/03/601662303.db2.gz GUUALJYSYULHSU-UHFFFAOYSA-N -1 0 347.390 3.565 20 0 EHADRM CSCc1cc(C(=O)Nc2ccccc2CC(=O)[O-])ccc1F ZINC000237384166 601662954 /nfs/dbraw/zinc/66/29/54/601662954.db2.gz VTRGWRGGOMAILT-UHFFFAOYSA-N -1 0 333.384 3.568 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)CCCCC(=O)c1ccccc1 ZINC000427961738 601663177 /nfs/dbraw/zinc/66/31/77/601663177.db2.gz AYFYNJRCKZLEBY-UHFFFAOYSA-N -1 0 339.391 3.696 20 0 EHADRM CC[C@@H](NC(=O)c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)[O-] ZINC000236983076 601677607 /nfs/dbraw/zinc/67/76/07/601677607.db2.gz DAAYBKPOKXJMKR-MRXNPFEDSA-N -1 0 347.798 3.512 20 0 EHADRM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)NCC(C)(C)C(=O)[O-] ZINC000827934397 601686689 /nfs/dbraw/zinc/68/66/89/601686689.db2.gz GACAORQVFMOXHO-VXGBXAGGSA-N -1 0 340.851 3.584 20 0 EHADRM Cc1cc([C@H](C)NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)ccc1F ZINC000832870325 601697293 /nfs/dbraw/zinc/69/72/93/601697293.db2.gz GREIFZAYAVUVSS-JTQLQIEISA-N -1 0 334.322 3.854 20 0 EHADRM CC(C)(CNC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)C(=O)[O-] ZINC000236718536 601706651 /nfs/dbraw/zinc/70/66/51/601706651.db2.gz GWYJHZKBMBNCSK-UHFFFAOYSA-N -1 0 349.333 3.598 20 0 EHADRM Cc1cc([C@H](C)NC(=O)Nc2ccc(C(=O)[O-])cc2F)ccc1F ZINC000832871496 601718796 /nfs/dbraw/zinc/71/87/96/601718796.db2.gz SIEJOBFDJRTLED-JTQLQIEISA-N -1 0 334.322 3.854 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2)c2ccccc2S1 ZINC000828394931 601726302 /nfs/dbraw/zinc/72/63/02/601726302.db2.gz UMRLXCWRWLOSOD-LLVKDONJSA-N -1 0 328.393 3.918 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1ccc2ncccc2c1 ZINC000833033601 601726363 /nfs/dbraw/zinc/72/63/63/601726363.db2.gz XZJSCJNISQTLGF-UHFFFAOYSA-N -1 0 327.361 3.660 20 0 EHADRM CC(C)(C(=O)OCc1ccc(C(=O)[O-])c(F)c1)c1cccc(F)c1 ZINC000826127550 601729599 /nfs/dbraw/zinc/72/95/99/601729599.db2.gz XOVFKXOCKKYYEI-UHFFFAOYSA-N -1 0 334.318 3.684 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@@H]2SCCc3ccccc32)cc1F ZINC000833315030 601732652 /nfs/dbraw/zinc/73/26/52/601732652.db2.gz CXMUOBXEEGCNID-MRXNPFEDSA-N -1 0 346.379 3.598 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@H]2SCCc3ccccc32)cc1F ZINC000833315027 601732659 /nfs/dbraw/zinc/73/26/59/601732659.db2.gz CXMUOBXEEGCNID-INIZCTEOSA-N -1 0 346.379 3.598 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cccc(F)c2Cl)cc1F ZINC000833314861 601732724 /nfs/dbraw/zinc/73/27/24/601732724.db2.gz AFBPCZUDYWFZPE-UHFFFAOYSA-N -1 0 326.682 3.673 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1F ZINC000678988328 601734590 /nfs/dbraw/zinc/73/45/90/601734590.db2.gz ULMZOFWQPSRWAV-CYBMUJFWSA-N -1 0 342.153 3.688 20 0 EHADRM CC/C(=C\C(=O)N[C@@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000828550847 601742843 /nfs/dbraw/zinc/74/28/43/601742843.db2.gz ZCHJOHOPZCKSTB-QFQMRYFISA-N -1 0 327.355 3.561 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC000832977214 601744168 /nfs/dbraw/zinc/74/41/68/601744168.db2.gz PYOOWNUBEOKLQL-CYBMUJFWSA-N -1 0 346.452 3.991 20 0 EHADRM C/C(=C/C(=O)Nc1nc(CCCC(=O)[O-])cs1)c1cccc(F)c1 ZINC000825724483 601748517 /nfs/dbraw/zinc/74/85/17/601748517.db2.gz QUPLARYMERUGGG-FLIBITNWSA-N -1 0 348.399 3.732 20 0 EHADRM CC[C@H](NC(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC000767101418 601754547 /nfs/dbraw/zinc/75/45/47/601754547.db2.gz YAEKVWHXSOBTLO-GDAGCXPBSA-N -1 0 333.384 3.547 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC000325138568 601755053 /nfs/dbraw/zinc/75/50/53/601755053.db2.gz WMZJPHOPSCIBOC-CQSZACIVSA-N -1 0 333.359 3.644 20 0 EHADRM O=C([O-])C1CCC(NC(=O)N2CCCC[C@H]2c2ccc(F)cc2)CC1 ZINC000263493449 601773822 /nfs/dbraw/zinc/77/38/22/601773822.db2.gz SARHORCGGPTJDS-PREGVCBESA-N -1 0 348.418 3.706 20 0 EHADRM Cc1nn(Cc2csc(C3CCCC3)n2)c(C)c1[C@@H](C)C(=O)[O-] ZINC000833021271 601779678 /nfs/dbraw/zinc/77/96/78/601779678.db2.gz HQFRNURDLXMWRM-SNVBAGLBSA-N -1 0 333.457 3.850 20 0 EHADRM C[C@@]1(c2ccccc2)CCN(C(=O)Nc2ccc(CC(=O)[O-])cc2)C1 ZINC000828127318 601786789 /nfs/dbraw/zinc/78/67/89/601786789.db2.gz AUVMXCLUHBBEFQ-HXUWFJFHSA-N -1 0 338.407 3.509 20 0 EHADRM Cc1ccc(NC(=O)N2C[C@H](C)[C@@H](C(=O)[O-])C2)cc1OCCC(C)C ZINC000832944522 601794992 /nfs/dbraw/zinc/79/49/92/601794992.db2.gz GIEBZPFFZKYHQP-HOCLYGCPSA-N -1 0 348.443 3.604 20 0 EHADRM COc1cccc([C@H](C)CC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)c1 ZINC000832529259 601802785 /nfs/dbraw/zinc/80/27/85/601802785.db2.gz XINXLSFWSLDNAP-CYBMUJFWSA-N -1 0 342.395 3.942 20 0 EHADRM O=C([O-])c1c(C2CC2)csc1NC(=O)Cn1ccc2ccccc21 ZINC000833122772 601809407 /nfs/dbraw/zinc/80/94/07/601809407.db2.gz NQCUMIGDJRUAQY-UHFFFAOYSA-N -1 0 340.404 3.917 20 0 EHADRM Cc1nc(CCC(=O)Nc2scc(C3CC3)c2C(=O)[O-])cs1 ZINC000738350421 601809811 /nfs/dbraw/zinc/80/98/11/601809811.db2.gz ZNEAOUDQQRQQJP-UHFFFAOYSA-N -1 0 336.438 3.660 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1 ZINC000320354676 601813633 /nfs/dbraw/zinc/81/36/33/601813633.db2.gz GEDIAHHVHNAGEW-UHFFFAOYSA-N -1 0 335.469 3.734 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)CC1 ZINC000537479840 601814509 /nfs/dbraw/zinc/81/45/09/601814509.db2.gz PPVSDKHWMCENBY-HZPDHXFCSA-N -1 0 335.831 3.547 20 0 EHADRM Cc1cc2cc(C(=O)N3CCC(CCC(=O)[O-])CC3)oc2cc1C ZINC000537481572 601816196 /nfs/dbraw/zinc/81/61/96/601816196.db2.gz JYYUEIAPYIXPNU-UHFFFAOYSA-N -1 0 329.396 3.767 20 0 EHADRM C[C@H]1CCc2sc(C(=O)N3CCC(CCC(=O)[O-])CC3)cc2C1 ZINC000321514780 601816302 /nfs/dbraw/zinc/81/63/02/601816302.db2.gz WPIKXHAEQWJPMH-LBPRGKRZSA-N -1 0 335.469 3.590 20 0 EHADRM O=C([O-])c1sccc1CN1CCO[C@@H](c2ccccc2Cl)C1 ZINC000520824533 601822433 /nfs/dbraw/zinc/82/24/33/601822433.db2.gz XNSQTKTYUWSEER-CQSZACIVSA-N -1 0 337.828 3.673 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NCc2nccn2Cc2ccccc2)c1 ZINC000833297655 601831448 /nfs/dbraw/zinc/83/14/48/601831448.db2.gz KZAJVCGWEQCGPT-UHFFFAOYSA-N -1 0 341.798 3.895 20 0 EHADRM O=C([O-])c1ccc(CSCc2noc(-c3ccsc3)n2)s1 ZINC000833316437 601846636 /nfs/dbraw/zinc/84/66/36/601846636.db2.gz GQFJASDWMPCHAJ-UHFFFAOYSA-N -1 0 338.435 3.991 20 0 EHADRM O=C([O-])c1ccc(CSCC(=O)Nc2c(F)cccc2F)s1 ZINC000833115532 601847451 /nfs/dbraw/zinc/84/74/51/601847451.db2.gz FCESYWHXONPJPR-UHFFFAOYSA-N -1 0 343.376 3.596 20 0 EHADRM CC[C@H](NC(=O)[O-])C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000739529377 601863508 /nfs/dbraw/zinc/86/35/08/601863508.db2.gz PWZUTEHQLNGHKL-JKSUJKDBSA-N -1 0 346.814 3.592 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2cncc(-c3ccccc3)c2)c2ccccc21 ZINC000833192351 601863624 /nfs/dbraw/zinc/86/36/24/601863624.db2.gz CWMLYTSMRPYHNG-GOSISDBHSA-N -1 0 344.370 3.577 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)c1cncc(-c2ccccc2)c1 ZINC000833268575 601866502 /nfs/dbraw/zinc/86/65/02/601866502.db2.gz AYOCYZNUKSJGKQ-UHFFFAOYSA-N -1 0 333.343 3.595 20 0 EHADRM O=C([O-])NC1CCC(C(=O)Nc2ccccc2OC2CCCC2)CC1 ZINC000740553892 601867079 /nfs/dbraw/zinc/86/70/79/601867079.db2.gz YEIJMWBOAZPJHW-UHFFFAOYSA-N -1 0 346.427 3.773 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000828645331 601868369 /nfs/dbraw/zinc/86/83/69/601868369.db2.gz MPKNPHOGPQTUKQ-GOSISDBHSA-N -1 0 346.814 3.775 20 0 EHADRM Cc1cc(C)cc([C@H](C)NC(=O)NCc2cccc(C(=O)[O-])c2)c1 ZINC000666526654 601868781 /nfs/dbraw/zinc/86/87/81/601868781.db2.gz HZGIJAGLSWVNDN-AWEZNQCLSA-N -1 0 326.396 3.562 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)NCc1cccc(C(=O)[O-])c1)C1CC1 ZINC000666527501 601868915 /nfs/dbraw/zinc/86/89/15/601868915.db2.gz JPOQZNNJCMXTRL-SFHVURJKSA-N -1 0 338.407 3.644 20 0 EHADRM Cn1c(C(=O)Oc2ccc(SCC(=O)[O-])cc2)cc2ccccc21 ZINC000833038627 601871054 /nfs/dbraw/zinc/87/10/54/601871054.db2.gz LGORYYVELZRMJC-UHFFFAOYSA-N -1 0 341.388 3.574 20 0 EHADRM CC(C)(C(=O)Oc1ccc(SCC(=O)[O-])cc1)c1cccc(F)c1 ZINC000826127565 601871591 /nfs/dbraw/zinc/87/15/91/601871591.db2.gz YBPBVKVTDJHKCH-UHFFFAOYSA-N -1 0 348.395 3.886 20 0 EHADRM CC(C)N(CCC(=O)N1CCC[C@H]1c1ccccc1Cl)C(=O)[O-] ZINC000738839739 601876301 /nfs/dbraw/zinc/87/63/01/601876301.db2.gz OULORBUGDTYDJT-HNNXBMFYSA-N -1 0 338.835 3.782 20 0 EHADRM Cc1ccc(C)c(CC(=O)Oc2ccc(SCC(=O)[O-])cc2)c1 ZINC000832926369 601876980 /nfs/dbraw/zinc/87/69/80/601876980.db2.gz RYKKBCNMZTYHOP-UHFFFAOYSA-N -1 0 330.405 3.628 20 0 EHADRM O=C([O-])N[C@@H](C(=O)Nc1ccc(-c2ccccc2)cn1)c1ccccc1 ZINC000740687874 601882818 /nfs/dbraw/zinc/88/28/18/601882818.db2.gz XKPJBARBSVFBRN-GOSISDBHSA-N -1 0 347.374 3.696 20 0 EHADRM O=C([O-])C[C@H]1CSCCN1Cc1csc(C2CCCCC2)n1 ZINC000568771775 601889546 /nfs/dbraw/zinc/88/95/46/601889546.db2.gz FEMZQRDZPVHRCR-AWEZNQCLSA-N -1 0 340.514 3.583 20 0 EHADRM COc1ccc(-c2nc(SCc3ccc(C(=O)[O-])s3)n[nH]2)cc1 ZINC000832133866 601892131 /nfs/dbraw/zinc/89/21/31/601892131.db2.gz CTTAFWWBSFHJRZ-UHFFFAOYSA-N -1 0 347.421 3.532 20 0 EHADRM CC1(C)CCCC[C@@H]1NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000322310206 601897823 /nfs/dbraw/zinc/89/78/23/601897823.db2.gz YEAYWQOFCRUBNH-ZDUSSCGKSA-N -1 0 326.343 3.753 20 0 EHADRM CSc1ccc(C)c(C(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])c1 ZINC000538513292 601898716 /nfs/dbraw/zinc/89/87/16/601898716.db2.gz CIOVIJODNXOCGF-ZBFHGGJFSA-N -1 0 335.469 3.870 20 0 EHADRM CN(Cc1ccccc1F)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830856976 601899667 /nfs/dbraw/zinc/89/96/67/601899667.db2.gz QLHMYUUTCQSKAM-HNNXBMFYSA-N -1 0 327.277 3.501 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)c1cc(F)c(F)cc1Cl ZINC000833131936 601905882 /nfs/dbraw/zinc/90/58/82/601905882.db2.gz LPTJRZMOOYLLKF-YMTOWFKASA-N -1 0 345.773 3.772 20 0 EHADRM Cc1cccc2c(CC(=O)N[C@H]3CCCCCC[C@@H]3C(=O)[O-])c[nH]c21 ZINC000262197245 601906288 /nfs/dbraw/zinc/90/62/88/601906288.db2.gz ZPCCQZRODPZOOG-IRXDYDNUSA-N -1 0 342.439 3.559 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)c1ccc(C(F)F)cc1 ZINC000833131887 601906982 /nfs/dbraw/zinc/90/69/82/601906982.db2.gz JWHMZRLSYWDILF-UONOGXRCSA-N -1 0 325.355 3.778 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)c1ccc(C(F)F)cc1 ZINC000833131888 601907003 /nfs/dbraw/zinc/90/70/03/601907003.db2.gz JWHMZRLSYWDILF-ZIAGYGMSSA-N -1 0 325.355 3.778 20 0 EHADRM Cc1oc(CSCC(=O)N(C)[C@@H]2CCCC[C@H]2C)cc1C(=O)[O-] ZINC000833026317 601912570 /nfs/dbraw/zinc/91/25/70/601912570.db2.gz GEOYLBRBQALNCO-IAQYHMDHSA-N -1 0 339.457 3.557 20 0 EHADRM C[C@@H](CNc1ccccc1)NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000827512744 601914972 /nfs/dbraw/zinc/91/49/72/601914972.db2.gz RSWRTEZLRUYBFA-NSHDSACASA-N -1 0 346.362 3.538 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2ccc(Oc3cccnc3)cc2)c1 ZINC000344411356 601920870 /nfs/dbraw/zinc/92/08/70/601920870.db2.gz SRGANCMBAAJDNS-UHFFFAOYSA-N -1 0 348.358 3.502 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)C2(c3cccs3)CCCCC2)c1 ZINC000532594860 601924104 /nfs/dbraw/zinc/92/41/04/601924104.db2.gz PIDFOMPGHFGWOO-UHFFFAOYSA-N -1 0 343.448 3.965 20 0 EHADRM O=C([O-])[C@@H](OC(=O)CCc1ccco1)c1cc(Cl)cc(Cl)c1 ZINC000833103551 601933227 /nfs/dbraw/zinc/93/32/27/601933227.db2.gz REDNTAUVEWULCW-AWEZNQCLSA-N -1 0 343.162 3.888 20 0 EHADRM C[C@@H]1CCCCN1C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000828252390 601951513 /nfs/dbraw/zinc/95/15/13/601951513.db2.gz TVMOPXNEGGKXHI-SECBINFHSA-N -1 0 330.306 3.810 20 0 EHADRM O=C([O-])N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)Nc1cccc(C(F)F)c1 ZINC000740471483 601960894 /nfs/dbraw/zinc/96/08/94/601960894.db2.gz WNSITJTVXDMUGH-HONMWMINSA-N -1 0 338.354 3.874 20 0 EHADRM Cc1ccc(NC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)nc1 ZINC000832947952 601962987 /nfs/dbraw/zinc/96/29/87/601962987.db2.gz MVSKIQXYWSUSSI-UHFFFAOYSA-N -1 0 339.273 3.751 20 0 EHADRM CC(C)Oc1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)ccn1 ZINC000827038965 601976910 /nfs/dbraw/zinc/97/69/10/601976910.db2.gz XOQXIJBLGIAAAE-HNNXBMFYSA-N -1 0 349.770 3.505 20 0 EHADRM CCS[C@@H](C(=O)Nc1ccc(OC)c(NC(=O)[O-])c1)C(C)C ZINC000739519489 601977984 /nfs/dbraw/zinc/97/79/84/601977984.db2.gz MVMSHFIGYCOQKO-CYBMUJFWSA-N -1 0 326.418 3.501 20 0 EHADRM O=C([O-])[C@@H](OC(=O)[C@H]1CC12CCC2)c1ccc(Cl)cc1Cl ZINC000833170550 601984038 /nfs/dbraw/zinc/98/40/38/601984038.db2.gz QKCYJGWLWOLQAK-PWSUYJOCSA-N -1 0 329.179 3.853 20 0 EHADRM Cc1ccc2cccc(NC(=O)c3ccc(CNC(=O)[O-])cc3)c2n1 ZINC000740158474 601990045 /nfs/dbraw/zinc/99/00/45/601990045.db2.gz VSGWLTWMUVRGHQ-UHFFFAOYSA-N -1 0 335.363 3.563 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)cn1 ZINC000740712576 601992820 /nfs/dbraw/zinc/99/28/20/601992820.db2.gz XOBCKBSVIBXXQO-UHFFFAOYSA-N -1 0 343.236 3.582 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000263468151 601994608 /nfs/dbraw/zinc/99/46/08/601994608.db2.gz GVESPULFBZVTSA-OAHLLOKOSA-N -1 0 342.848 3.781 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cc3ccc(F)cc3s2)cn1 ZINC000740712602 601995088 /nfs/dbraw/zinc/99/50/88/601995088.db2.gz YVECGKLNSBTETI-UHFFFAOYSA-N -1 0 331.328 3.778 20 0 EHADRM O=C([O-])c1ccoc1CSc1ccccc1C(=O)NC1CC=CC1 ZINC000237967426 601996443 /nfs/dbraw/zinc/99/64/43/601996443.db2.gz UKQAKJDKPMQSBV-UHFFFAOYSA-N -1 0 343.404 3.719 20 0 EHADRM Cc1nc2cc(F)ccc2cc1C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000833004438 602002494 /nfs/dbraw/zinc/00/24/94/602002494.db2.gz RMHJSMQRHXVDHH-UHFFFAOYSA-N -1 0 345.351 3.799 20 0 EHADRM CCCCCCC(=O)N(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000829348077 602002783 /nfs/dbraw/zinc/00/27/83/602002783.db2.gz PEDKARLXTXKGRW-OAHLLOKOSA-N -1 0 331.334 3.658 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cnc(-c3ccco3)s2)s1 ZINC000833314222 602008665 /nfs/dbraw/zinc/00/86/65/602008665.db2.gz DSMWWIRAAPHOLM-UHFFFAOYSA-N -1 0 335.362 3.520 20 0 EHADRM C[C@@H](CCOc1ccccc1)C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000827422761 602012317 /nfs/dbraw/zinc/01/23/17/602012317.db2.gz SXKMLYQOVXPZFB-LBPRGKRZSA-N -1 0 334.393 3.595 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)c1cncc(-c2ccccc2)c1 ZINC000833025817 602015246 /nfs/dbraw/zinc/01/52/46/602015246.db2.gz RLRXBDCHGVFXEQ-UHFFFAOYSA-N -1 0 337.331 3.705 20 0 EHADRM CC1(C)[C@@H]2CN(C(=O)c3cc(NC(=O)[O-])cc(C(F)(F)F)c3)C[C@@H]21 ZINC000828050706 602017881 /nfs/dbraw/zinc/01/78/81/602017881.db2.gz PDPVVKNBCMJNLE-TXEJJXNPSA-N -1 0 342.317 3.523 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3CC[C@@](C)(C(=O)[O-])C3)c(F)c2)cc1 ZINC000237713670 602030141 /nfs/dbraw/zinc/03/01/41/602030141.db2.gz OSCVQNHHXCTUMI-HXUWFJFHSA-N -1 0 341.382 3.738 20 0 EHADRM CCSCCOC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000830163659 602033556 /nfs/dbraw/zinc/03/35/56/602033556.db2.gz BVZFSANDUDVAKV-UHFFFAOYSA-N -1 0 337.319 3.705 20 0 EHADRM C[C@@H]1CC[C@@H](C)N1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000828214758 602038925 /nfs/dbraw/zinc/03/89/25/602038925.db2.gz RYGKVOQAYZIKFL-CHWSQXEVSA-N -1 0 336.457 3.799 20 0 EHADRM C[C@@H]1CC[C@@H](C)N1C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000828214551 602043366 /nfs/dbraw/zinc/04/33/66/602043366.db2.gz PROZBYXUASEBOC-RKDXNWHRSA-N -1 0 330.306 3.808 20 0 EHADRM CCC(CC)[C@@H](NC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccccc1 ZINC000262914150 602060115 /nfs/dbraw/zinc/06/01/15/602060115.db2.gz DYARNWLWPXWQMV-APWZRJJASA-N -1 0 332.444 3.670 20 0 EHADRM CS/C=C\C(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC000832747794 602064361 /nfs/dbraw/zinc/06/43/61/602064361.db2.gz NLRYFYLZOYRULE-KTKRTIGZSA-N -1 0 343.404 3.779 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)/C=C\c2ccnc3ccccc23)c1 ZINC000492185671 602065458 /nfs/dbraw/zinc/06/54/58/602065458.db2.gz BBHDBFPZFCQZOX-HJWRWDBZSA-N -1 0 332.359 3.514 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2cncc(-c3ccccc3)c2)c1 ZINC000533195299 602067741 /nfs/dbraw/zinc/06/77/41/602067741.db2.gz HYKPIELEGZAGAJ-UHFFFAOYSA-N -1 0 332.359 3.628 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000237526304 602070017 /nfs/dbraw/zinc/07/00/17/602070017.db2.gz GFZINJFGSGKKSH-CYBMUJFWSA-N -1 0 329.371 3.660 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)CCCOc2ccc(Cl)cc2)c1 ZINC000238107837 602070861 /nfs/dbraw/zinc/07/08/61/602070861.db2.gz GSAOMJDHOGQUHI-UHFFFAOYSA-N -1 0 347.798 3.765 20 0 EHADRM COc1cc2ccccc2cc1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000676211418 602071453 /nfs/dbraw/zinc/07/14/53/602071453.db2.gz RLQWRFQBYQJMLF-UHFFFAOYSA-N -1 0 335.359 3.728 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2csc(-c3ccccc3)n2)c1 ZINC000147700701 602071483 /nfs/dbraw/zinc/07/14/83/602071483.db2.gz JUGIXNPRGXWUOI-UHFFFAOYSA-N -1 0 338.388 3.690 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000263143012 602074185 /nfs/dbraw/zinc/07/41/85/602074185.db2.gz JXWNONUAGUPWSS-GOSISDBHSA-N -1 0 325.408 3.767 20 0 EHADRM CCCN(CC)c1ccc(C(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000532873799 602075026 /nfs/dbraw/zinc/07/50/26/602075026.db2.gz GWRODIZUEWEMER-UHFFFAOYSA-N -1 0 340.423 3.802 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2[nH]c3ccc(F)cc3c2Cl)c1 ZINC000345746903 602077260 /nfs/dbraw/zinc/07/72/60/602077260.db2.gz KIDWSQJLLVKXTD-UHFFFAOYSA-N -1 0 346.745 3.840 20 0 EHADRM C/C(=C\COC(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)C(=O)[O-] ZINC000825758943 602092820 /nfs/dbraw/zinc/09/28/20/602092820.db2.gz SQSBWSPNCVDWMW-JCJUGQDJSA-N -1 0 348.704 3.860 20 0 EHADRM CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(NC(=O)[O-])c2)C12CCC2 ZINC000829917043 602094231 /nfs/dbraw/zinc/09/42/31/602094231.db2.gz AFQLKXLJIMAGQS-HUUCEWRRSA-N -1 0 347.415 3.588 20 0 EHADRM C[C@H](Oc1ccc(/C=C2\C(=O)Nc3cc(Cl)ccc32)cc1)C(=O)[O-] ZINC000794689964 602094206 /nfs/dbraw/zinc/09/42/06/602094206.db2.gz VMWFMVKXMNCBRN-SOOGHKCXSA-N -1 0 343.766 3.685 20 0 EHADRM C[C@H](Oc1ccc(/C=C2\C(=O)Nc3ccc(Cl)cc32)cc1)C(=O)[O-] ZINC000794686494 602094360 /nfs/dbraw/zinc/09/43/60/602094360.db2.gz BXQKFHZJZYMNDF-SOOGHKCXSA-N -1 0 343.766 3.685 20 0 EHADRM C[C@@]1(c2ccccc2)CCN(C(=O)NCCCCCCCC(=O)[O-])C1 ZINC000828128424 602094831 /nfs/dbraw/zinc/09/48/31/602094831.db2.gz TVTCMQFHFRKBBZ-HXUWFJFHSA-N -1 0 346.471 3.785 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)[C@@H](C)CC(=O)[O-])cn2)cc1C ZINC000832950787 602100814 /nfs/dbraw/zinc/10/08/14/602100814.db2.gz ACLFOSRVGAQNAF-ZDUSSCGKSA-N -1 0 328.368 3.540 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)[C@H](C)CC(=O)[O-])cn2)cc1C ZINC000832950786 602100848 /nfs/dbraw/zinc/10/08/48/602100848.db2.gz ACLFOSRVGAQNAF-CYBMUJFWSA-N -1 0 328.368 3.540 20 0 EHADRM Cc1oc(CN(C)C(=O)c2ccc3sccc3c2)cc1C(=O)[O-] ZINC000346024978 602105840 /nfs/dbraw/zinc/10/58/40/602105840.db2.gz KLSYMXKYCXTDSS-UHFFFAOYSA-N -1 0 329.377 3.773 20 0 EHADRM CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](C)CC(=O)[O-] ZINC000827247956 602108036 /nfs/dbraw/zinc/10/80/36/602108036.db2.gz SGHXPEQABKYKJO-JTQLQIEISA-N -1 0 332.227 3.841 20 0 EHADRM CSc1cc(C(=O)N[C@@H](C(=O)[O-])C(C)C)c(Cl)cc1Cl ZINC000237426902 602110458 /nfs/dbraw/zinc/11/04/58/602110458.db2.gz FSGAHCDRLISTLZ-LLVKDONJSA-N -1 0 336.240 3.554 20 0 EHADRM Cc1nc(CNc2ccc(OCC(=O)[O-])c3ccccc23)sc1C ZINC000832999156 602114225 /nfs/dbraw/zinc/11/42/25/602114225.db2.gz FQMCXTOLLMDMDL-UHFFFAOYSA-N -1 0 342.420 3.989 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N[C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000827272620 602121343 /nfs/dbraw/zinc/12/13/43/602121343.db2.gz OTPBCCCHHKPFOO-BONVTDFDSA-N -1 0 337.828 3.718 20 0 EHADRM CC(=O)Oc1ccc(CSc2nc3ccc(C(=O)[O-])cc3o2)cc1 ZINC000825922881 602122587 /nfs/dbraw/zinc/12/25/87/602122587.db2.gz KVIQGFGAXURDNZ-UHFFFAOYSA-N -1 0 343.360 3.744 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)Nc1cccc(CO[C@@H]2CCC[C@@H](C)C2)c1 ZINC000828246341 602129631 /nfs/dbraw/zinc/12/96/31/602129631.db2.gz UVJXCBNWURGKQA-JKIFEVAISA-N -1 0 333.428 3.831 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N(Cc1ccccc1)[C@H](C)c1cccs1 ZINC000827247791 602130677 /nfs/dbraw/zinc/13/06/77/602130677.db2.gz RETPENYTGDCNAH-ZIAGYGMSSA-N -1 0 331.437 3.949 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1 ZINC000827247788 602130900 /nfs/dbraw/zinc/13/09/00/602130900.db2.gz RETPENYTGDCNAH-KBPBESRZSA-N -1 0 331.437 3.949 20 0 EHADRM CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1ccc(-c2nc(C)c(C)o2)cc1 ZINC000739303875 602134594 /nfs/dbraw/zinc/13/45/94/602134594.db2.gz RYOSBPFVGOZIKF-GOSISDBHSA-N -1 0 345.399 3.723 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)Nc1nc2ccccc2n1C1CCCCC1 ZINC000827324781 602135571 /nfs/dbraw/zinc/13/55/71/602135571.db2.gz KWIQMXCQLVSFNE-GFCCVEGCSA-N -1 0 329.400 3.591 20 0 EHADRM CCc1oc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(SC)cc2)cc1C ZINC000191072731 602137076 /nfs/dbraw/zinc/13/70/76/602137076.db2.gz KTTCNTFZRBJYRG-AWEZNQCLSA-N -1 0 347.436 3.818 20 0 EHADRM CCC(=O)c1ccc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000828574567 602140710 /nfs/dbraw/zinc/14/07/10/602140710.db2.gz SSKWXNSWIMWWTG-UHFFFAOYSA-N -1 0 325.364 3.549 20 0 EHADRM CCC(=O)c1ccc(C(=O)N(CC)c2ccccc2C(=O)[O-])cc1 ZINC000828574404 602148640 /nfs/dbraw/zinc/14/86/40/602148640.db2.gz PORLYWSJDFGCSI-UHFFFAOYSA-N -1 0 325.364 3.644 20 0 EHADRM CSc1cc(C(=O)NC(C)(C)CC(=O)[O-])c(Cl)cc1Cl ZINC000776624276 602151932 /nfs/dbraw/zinc/15/19/32/602151932.db2.gz UYNZBUFQHFGWPE-UHFFFAOYSA-N -1 0 336.240 3.698 20 0 EHADRM Cc1cc(C)c(-c2csc(NC(=O)[C@@H](C)CC(=O)[O-])n2)c(C)c1 ZINC000832875081 602154804 /nfs/dbraw/zinc/15/48/04/602154804.db2.gz ROUJIBRUVGINBB-LBPRGKRZSA-N -1 0 332.425 3.785 20 0 EHADRM CC(=O)c1c(C)[nH]c(-c2csc(C3(NC(=O)[O-])CCC3)n2)c1C ZINC000738586177 602162659 /nfs/dbraw/zinc/16/26/59/602162659.db2.gz PWEXQONMARHMGL-UHFFFAOYSA-N -1 0 333.413 3.604 20 0 EHADRM CSc1cc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c(Cl)cc1Cl ZINC000128609190 602163155 /nfs/dbraw/zinc/16/31/55/602163155.db2.gz QXIIJYLCEIMYAX-LLVKDONJSA-N -1 0 348.251 3.795 20 0 EHADRM CCCc1ccc(N[C@@H](C(=O)[O-])c2cc(OC)cc(OC)c2)cc1 ZINC000829566616 602163459 /nfs/dbraw/zinc/16/34/59/602163459.db2.gz OOQRXZMOJNYCJS-GOSISDBHSA-N -1 0 329.396 3.894 20 0 EHADRM COc1cc(OC)cc([C@H](Nc2ccc3ncsc3c2)C(=O)[O-])c1 ZINC000832068550 602167984 /nfs/dbraw/zinc/16/79/84/602167984.db2.gz XNCIRJBDYBQWJI-INIZCTEOSA-N -1 0 344.392 3.551 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)c1cc(Br)cs1 ZINC000740715767 602174608 /nfs/dbraw/zinc/17/46/08/602174608.db2.gz OMEDHJDGQLRYRY-UHFFFAOYSA-N -1 0 341.186 3.853 20 0 EHADRM Cc1nc2ccc(C(=O)Nc3ccccc3NC(=O)[O-])cc2nc1C ZINC000740229498 602177919 /nfs/dbraw/zinc/17/79/19/602177919.db2.gz KYEZSIWYPSFQHW-UHFFFAOYSA-N -1 0 336.351 3.589 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2ccc(Cl)c3cccnc23)c1 ZINC000191359744 602180500 /nfs/dbraw/zinc/18/05/00/602180500.db2.gz RVYKYAKAPJBEGS-UHFFFAOYSA-N -1 0 332.768 3.900 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)Nc1ccc2[nH]c(C3CCCCC3)nc2c1 ZINC000827309596 602181025 /nfs/dbraw/zinc/18/10/25/602181025.db2.gz CCWUMHVYXJJGHZ-NSHDSACASA-N -1 0 329.400 3.660 20 0 EHADRM O=C([O-])c1csc(NC(=O)CCSc2ccccc2F)c1 ZINC000191347727 602186629 /nfs/dbraw/zinc/18/66/29/602186629.db2.gz JQKRAQCAWJTPAQ-UHFFFAOYSA-N -1 0 325.386 3.706 20 0 EHADRM Cc1c(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cccc1C(F)(F)F ZINC000191563570 602189799 /nfs/dbraw/zinc/18/97/99/602189799.db2.gz IIMAMPBZVIKMCE-MNOVXSKESA-N -1 0 329.318 3.843 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000740674549 602200617 /nfs/dbraw/zinc/20/06/17/602200617.db2.gz RMUUFBNFFLSUFU-VXGBXAGGSA-N -1 0 344.333 3.761 20 0 EHADRM CCCCCNC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000829364156 602220989 /nfs/dbraw/zinc/22/09/89/602220989.db2.gz UOPWLMYQDRKAJM-UHFFFAOYSA-N -1 0 330.384 3.615 20 0 EHADRM CC[C@H]1CCCN1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000829126074 602225893 /nfs/dbraw/zinc/22/58/93/602225893.db2.gz UDYYMEYLJDSQAO-ZDUSSCGKSA-N -1 0 342.395 3.710 20 0 EHADRM Cc1ccc(-c2cccc(CNC(=O)c3ccc(C(=O)[O-])nc3)c2)cc1 ZINC000832905795 602234118 /nfs/dbraw/zinc/23/41/18/602234118.db2.gz HJZKJBAZGWPBNY-UHFFFAOYSA-N -1 0 346.386 3.685 20 0 EHADRM Cc1nc(NC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])sc1C ZINC000833004068 602236495 /nfs/dbraw/zinc/23/64/95/602236495.db2.gz QMEUHQYIRUWVSD-CYBMUJFWSA-N -1 0 347.440 3.734 20 0 EHADRM CCCCN(C(=O)c1ccc(CNC(=O)[O-])cc1)c1ccccc1 ZINC000739326615 602240462 /nfs/dbraw/zinc/24/04/62/602240462.db2.gz INAMWZAQDFMCLD-UHFFFAOYSA-N -1 0 326.396 3.901 20 0 EHADRM CCC[C@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(F)cc1F ZINC000180133879 602240746 /nfs/dbraw/zinc/24/07/46/602240746.db2.gz PUGYZRZKNNJIAB-WQGACYEGSA-N -1 0 339.382 3.813 20 0 EHADRM Cc1ccc(F)c(OCC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000237772624 602251053 /nfs/dbraw/zinc/25/10/53/602251053.db2.gz ZIWFONDBSPEFIW-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM Cc1ccc(C)c(SCc2cccc(C(=O)N[C@H](C)C(=O)[O-])c2)c1 ZINC000237353515 602252221 /nfs/dbraw/zinc/25/22/21/602252221.db2.gz JCCJCZCAYZXOQA-CQSZACIVSA-N -1 0 343.448 3.799 20 0 EHADRM Cc1ccccc1[C@H](C)NC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000740185725 602281759 /nfs/dbraw/zinc/28/17/59/602281759.db2.gz WGJQBDYIIUSATP-ZDUSSCGKSA-N -1 0 339.395 3.918 20 0 EHADRM O=C([O-])c1csc(NC(=O)NCc2cccc(C(F)(F)F)c2)c1 ZINC000833146779 602291491 /nfs/dbraw/zinc/29/14/91/602291491.db2.gz WYIHLQHLYRDLDV-UHFFFAOYSA-N -1 0 344.314 3.787 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2ccc(F)cc2F)cc1F ZINC000833320678 602301700 /nfs/dbraw/zinc/30/17/00/602301700.db2.gz YOKQFRCUTDSGQW-UHFFFAOYSA-N -1 0 326.299 3.611 20 0 EHADRM Cc1[nH]c2ccccc2c1CCNC(=O)c1cccc(NC(=O)[O-])c1 ZINC000738248705 602309880 /nfs/dbraw/zinc/30/98/80/602309880.db2.gz INRICMGFNZXSPL-UHFFFAOYSA-N -1 0 337.379 3.539 20 0 EHADRM Cc1nc2sccn2c1CN(C)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000833007483 602325360 /nfs/dbraw/zinc/32/53/60/602325360.db2.gz TVWZLULMZQUAJH-CQSZACIVSA-N -1 0 349.843 3.615 20 0 EHADRM COc1cc(NC(=O)CCc2ccccc2C)ccc1NC(=O)[O-] ZINC000739866180 602336604 /nfs/dbraw/zinc/33/66/04/602336604.db2.gz OJVOVSDKCGPXGQ-UHFFFAOYSA-N -1 0 328.368 3.665 20 0 EHADRM CC[C@H](CC(=O)N1CCCC[C@@H]1[C@H](C)NC(=O)[O-])c1ccccc1 ZINC000739249974 602338569 /nfs/dbraw/zinc/33/85/69/602338569.db2.gz PZTLSKZRUPUYFY-ZMSDIMECSA-N -1 0 332.444 3.608 20 0 EHADRM C[C@@H](NC(=O)[C@H](NC(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC000739023337 602340860 /nfs/dbraw/zinc/34/08/60/602340860.db2.gz ZRTISVCHAOMRFV-IAQYHMDHSA-N -1 0 332.787 3.526 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F ZINC000236933740 602345483 /nfs/dbraw/zinc/34/54/83/602345483.db2.gz PKCHDQMQNJYQMR-WQLSENKSSA-N -1 0 349.736 3.609 20 0 EHADRM Cc1ccc(CC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)c(Cl)c1 ZINC000832928840 602350175 /nfs/dbraw/zinc/35/01/75/602350175.db2.gz KRIIIDIUARGDJV-UHFFFAOYSA-N -1 0 346.814 3.939 20 0 EHADRM Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000323171506 602353539 /nfs/dbraw/zinc/35/35/39/602353539.db2.gz WRWQWPRZYYGLTJ-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000767201914 602355322 /nfs/dbraw/zinc/35/53/22/602355322.db2.gz VURSPWNOGYAHRD-JTQLQIEISA-N -1 0 349.383 3.652 20 0 EHADRM CC(C)CN(Cc1ccccc1F)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000826881539 602356638 /nfs/dbraw/zinc/35/66/38/602356638.db2.gz YFKLVEBZVQQVOQ-UHFFFAOYSA-N -1 0 347.390 3.553 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cncc(-c3ccccc3)c2)cc1F ZINC000833153569 602356992 /nfs/dbraw/zinc/35/69/92/602356992.db2.gz LVYZSDWOIBFEAE-UHFFFAOYSA-N -1 0 336.322 3.838 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000776645918 602357768 /nfs/dbraw/zinc/35/77/68/602357768.db2.gz DYIXHXWZGOLANO-FFSVYQOJSA-N -1 0 337.391 3.836 20 0 EHADRM CC(C)OCc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000392381382 602360939 /nfs/dbraw/zinc/36/09/39/602360939.db2.gz VXAJEFBBLHOHHL-UHFFFAOYSA-N -1 0 331.343 3.701 20 0 EHADRM Cn1cc(NC(=O)N2CCCCC[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC000833049253 602361123 /nfs/dbraw/zinc/36/11/23/602361123.db2.gz SKEUXTMNUQKBNX-MRXNPFEDSA-N -1 0 341.411 3.873 20 0 EHADRM CC(C)c1cccc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)n1 ZINC000827129505 602361778 /nfs/dbraw/zinc/36/17/78/602361778.db2.gz PCKJOVWVGGWALC-INIZCTEOSA-N -1 0 326.396 3.541 20 0 EHADRM O=C([O-])c1cccc(NC(=O)Nc2ccccc2OCC(F)F)c1 ZINC000833160099 602363415 /nfs/dbraw/zinc/36/34/15/602363415.db2.gz NWTYOVZXOUUSDS-UHFFFAOYSA-N -1 0 336.294 3.673 20 0 EHADRM CC(C)C[C@@H](NC(=O)Nc1cc(C(=O)[O-])n(C)c1)c1cccs1 ZINC000826793511 602363868 /nfs/dbraw/zinc/36/38/68/602363868.db2.gz NUKBAPBYQFECJE-GFCCVEGCSA-N -1 0 335.429 3.694 20 0 EHADRM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000827929169 602373308 /nfs/dbraw/zinc/37/33/08/602373308.db2.gz WKTIXFJWKPGBNX-NSHDSACASA-N -1 0 341.367 3.694 20 0 EHADRM Cc1ccc(CCNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)c(C)c1 ZINC000832930118 602377368 /nfs/dbraw/zinc/37/73/68/602377368.db2.gz ISIIZXKMNGOYOR-UHFFFAOYSA-N -1 0 330.359 3.505 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)s1 ZINC000322882793 602379790 /nfs/dbraw/zinc/37/97/90/602379790.db2.gz VIWPEJWYWRKXHP-VIFPVBQESA-N -1 0 336.388 3.647 20 0 EHADRM CCOc1cc(C)ccc1CNC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000830044685 602381355 /nfs/dbraw/zinc/38/13/55/602381355.db2.gz PPWNUAMBIDTKRP-UHFFFAOYSA-N -1 0 346.358 3.553 20 0 EHADRM Cc1cnc([C@@H](NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)C2CC2)s1 ZINC000832985309 602381728 /nfs/dbraw/zinc/38/17/28/602381728.db2.gz BPGBXIRCSZOEIK-ZDUSSCGKSA-N -1 0 349.387 3.562 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(-c3cccc(F)c3)no2)cc1F ZINC000833153008 602394335 /nfs/dbraw/zinc/39/43/35/602394335.db2.gz BUTZMHKFZXISGG-UHFFFAOYSA-N -1 0 344.273 3.570 20 0 EHADRM O=C([O-])CN(C(=O)C[C@H](c1ccccc1)C(F)(F)F)C1CCCC1 ZINC000621575203 602399542 /nfs/dbraw/zinc/39/95/42/602399542.db2.gz RCFZCXQOZLOQQI-CQSZACIVSA-N -1 0 343.345 3.578 20 0 EHADRM O=C([O-])CN(C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21)C1CCCC1 ZINC000833241978 602399667 /nfs/dbraw/zinc/39/96/67/602399667.db2.gz NOMYPIVTSSAHCM-RTBURBONSA-N -1 0 337.419 3.799 20 0 EHADRM O=C([O-])CN(C(=O)CCc1ccc2ccccc2c1)C1CCCC1 ZINC000833244825 602400988 /nfs/dbraw/zinc/40/09/88/602400988.db2.gz QDTZKCMRRQYNMH-UHFFFAOYSA-N -1 0 325.408 3.628 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc([C@H](C)Oc2ccc(F)cc2)n1 ZINC000738815528 602406803 /nfs/dbraw/zinc/40/68/03/602406803.db2.gz HGJTVLACDRQRSB-GWCFXTLKSA-N -1 0 337.351 3.704 20 0 EHADRM COc1ccc(NC(=O)N(Cc2ccco2)C(C)C)cc1NC(=O)[O-] ZINC000739921960 602410226 /nfs/dbraw/zinc/41/02/26/602410226.db2.gz IQWGTURLZOAGMS-UHFFFAOYSA-N -1 0 347.371 3.821 20 0 EHADRM O=C([O-])NC1(c2noc([C@H]3CCC[C@H](C(F)(F)F)C3)n2)CCCC1 ZINC000740550373 602414441 /nfs/dbraw/zinc/41/44/41/602414441.db2.gz VBBOKPVBOHFZRW-UWVGGRQHSA-N -1 0 347.337 3.943 20 0 EHADRM C[C@@H](c1ccccc1)N(C)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739057943 602450522 /nfs/dbraw/zinc/45/05/22/602450522.db2.gz KNRQGEJXAZKPRD-ZDUSSCGKSA-N -1 0 327.384 3.679 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000738987489 602451327 /nfs/dbraw/zinc/45/13/27/602451327.db2.gz LDEIDYWYCXHZCU-LLVKDONJSA-N -1 0 347.802 3.990 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)Oc1cccc(CNC(=O)[O-])c1 ZINC000738953722 602462051 /nfs/dbraw/zinc/46/20/51/602462051.db2.gz WPQDSXMBYZEPLW-CYBMUJFWSA-N -1 0 345.420 3.788 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2ccc(Cl)cc2F)ccc1F ZINC000740696594 602481310 /nfs/dbraw/zinc/48/13/10/602481310.db2.gz FIZBZQFMBLGINS-UHFFFAOYSA-N -1 0 326.686 3.960 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(F)c(NC(=O)[O-])c2)Cc2ccccc21 ZINC000739164670 602481530 /nfs/dbraw/zinc/48/15/30/602481530.db2.gz FREZTZTXTDIZNG-LLVKDONJSA-N -1 0 328.343 3.675 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N[C@H](c2ccccc2)C2CC2)ccc1F ZINC000740694907 602482681 /nfs/dbraw/zinc/48/26/81/602482681.db2.gz CLOAQCAEFDXMQD-MRXNPFEDSA-N -1 0 328.343 3.797 20 0 EHADRM COc1ccc([C@@H](C)N(C)C(=O)c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000739897099 602483140 /nfs/dbraw/zinc/48/31/40/602483140.db2.gz RITBYWBVPIJCBK-LLVKDONJSA-N -1 0 346.358 3.757 20 0 EHADRM CCN(Cc1ccc(C)cc1)C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739439878 602483973 /nfs/dbraw/zinc/48/39/73/602483973.db2.gz QRPYTACQIOVZRP-UHFFFAOYSA-N -1 0 330.359 3.886 20 0 EHADRM COc1ccc(OCCCC(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000739928741 602499484 /nfs/dbraw/zinc/49/94/84/602499484.db2.gz HSTYYECGMGIDOI-UHFFFAOYSA-N -1 0 344.367 3.583 20 0 EHADRM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C1CCC(NC(=O)[O-])CC1 ZINC000738891172 602501716 /nfs/dbraw/zinc/50/17/16/602501716.db2.gz POMZHSJSHRSVNE-RWBZWWBESA-N -1 0 344.455 3.640 20 0 EHADRM Cc1cccc(C)c1OCCC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000740166085 602502472 /nfs/dbraw/zinc/50/24/72/602502472.db2.gz JHVXNWFFMKJVOD-UHFFFAOYSA-N -1 0 328.368 3.801 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738119434 602505136 /nfs/dbraw/zinc/50/51/36/602505136.db2.gz GKYIKBIRYYMCQT-LBPRGKRZSA-N -1 0 328.368 3.917 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)c3ccc(F)c(F)c3)ccc21 ZINC000740464982 602506984 /nfs/dbraw/zinc/50/69/84/602506984.db2.gz MZXBJNMELVKLMZ-UHFFFAOYSA-N -1 0 332.306 3.648 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)c3c(F)cccc3F)ccc21 ZINC000740463983 602507947 /nfs/dbraw/zinc/50/79/47/602507947.db2.gz AJMUONPSDYAXPO-UHFFFAOYSA-N -1 0 332.306 3.648 20 0 EHADRM CCn1cc(C(=O)Nc2cccc(CNC(=O)[O-])c2)c2ccccc21 ZINC000739562343 602515274 /nfs/dbraw/zinc/51/52/74/602515274.db2.gz CZYYFSMTQUFMDM-UHFFFAOYSA-N -1 0 337.379 3.681 20 0 EHADRM CCCN(C)c1ccc(C(=O)Nc2cccc(CNC(=O)[O-])c2)cc1 ZINC000739350687 602515281 /nfs/dbraw/zinc/51/52/81/602515281.db2.gz MYSVVHJTXSSFRT-UHFFFAOYSA-N -1 0 341.411 3.553 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)C2(c3cccc(Cl)c3)CC2)c1 ZINC000740674246 602515669 /nfs/dbraw/zinc/51/56/69/602515669.db2.gz OQMBTSQGYDOFBE-UHFFFAOYSA-N -1 0 344.798 3.778 20 0 EHADRM C[C@H](NC(=O)[O-])C(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000738994573 602537993 /nfs/dbraw/zinc/53/79/93/602537993.db2.gz MJWFTCROGJOFJW-NSHDSACASA-N -1 0 348.786 3.514 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)N2CCCC3(CCCCC3)C2)cc1 ZINC000740702049 602549186 /nfs/dbraw/zinc/54/91/86/602549186.db2.gz SDRZXUGMWHCHGP-UHFFFAOYSA-N -1 0 330.428 3.892 20 0 EHADRM COc1ccc([C@H](C)C(=O)Nc2cccc(CN(C)C(=O)[O-])c2)cc1 ZINC000739896998 602567921 /nfs/dbraw/zinc/56/79/21/602567921.db2.gz PLQJMGMZKXSKQA-ZDUSSCGKSA-N -1 0 342.395 3.547 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)c3ccc([O-])c(Cl)c3)ccc21 ZINC000740465492 602577056 /nfs/dbraw/zinc/57/70/56/602577056.db2.gz QRHSABNDPHHJLN-UHFFFAOYSA-N -1 0 346.770 3.729 20 0 EHADRM CC(C)CN(C)C(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000738819219 602597226 /nfs/dbraw/zinc/59/72/26/602597226.db2.gz DQAFPKNZRQCJER-UHFFFAOYSA-N -1 0 333.310 3.915 20 0 EHADRM Cc1ccc(SCCNC(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000740153264 602601742 /nfs/dbraw/zinc/60/17/42/602601742.db2.gz PLPTXVXFENJCHR-UHFFFAOYSA-N -1 0 345.424 3.999 20 0 EHADRM Cc1ccc(OCCN(C)C(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000740143435 602602328 /nfs/dbraw/zinc/60/23/28/602602328.db2.gz FSZCMNJCFCJEKD-UHFFFAOYSA-N -1 0 343.383 3.628 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NCc2nc3ccccc3s2)cc1 ZINC000740710682 602603079 /nfs/dbraw/zinc/60/30/79/602603079.db2.gz IYACVOGVKVTVPL-UHFFFAOYSA-N -1 0 342.380 3.708 20 0 EHADRM C[C@H]1CCC[C@H](NC(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])C1 ZINC000739098246 602605713 /nfs/dbraw/zinc/60/57/13/602605713.db2.gz VKRRNSISZGFSHN-JSGCOSHPSA-N -1 0 331.416 3.817 20 0 EHADRM C[C@H](c1ccco1)N(C)C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2 ZINC000739060502 602607486 /nfs/dbraw/zinc/60/74/86/602607486.db2.gz OMOSVNJVBORGPH-GFCCVEGCSA-N -1 0 343.383 3.541 20 0 EHADRM Cc1cccc(CNC(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])c1 ZINC000740166994 602608045 /nfs/dbraw/zinc/60/80/45/602608045.db2.gz ROXAXKYJGTZRAI-UHFFFAOYSA-N -1 0 339.395 3.747 20 0 EHADRM COc1cc(Cl)ccc1CNC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000737890015 602611177 /nfs/dbraw/zinc/61/11/77/602611177.db2.gz YSGMTMBEFICJML-UHFFFAOYSA-N -1 0 349.774 3.760 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)OCc1ccnc(Cl)c1)c1ccccc1 ZINC000740539656 602657479 /nfs/dbraw/zinc/65/74/79/602657479.db2.gz KWXCIWMWZCDFQW-CQSZACIVSA-N -1 0 348.786 3.567 20 0 EHADRM Cc1ccccc1OCCCC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000740196338 602667293 /nfs/dbraw/zinc/66/72/93/602667293.db2.gz XDBZQDDOQOEOBA-UHFFFAOYSA-N -1 0 342.395 3.560 20 0 EHADRM COc1ccc(-c2csc(C3(NC(=O)[O-])CCCC3)n2)cc1OC ZINC000739877212 602685039 /nfs/dbraw/zinc/68/50/39/602685039.db2.gz KRGQEIBACQOBPA-UHFFFAOYSA-N -1 0 348.424 3.864 20 0 EHADRM CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000739297366 602692334 /nfs/dbraw/zinc/69/23/34/602692334.db2.gz CDBUFIZEWXKONE-CYBMUJFWSA-N -1 0 336.285 3.609 20 0 EHADRM CC(C)c1ccc([C@@H](C)NC(=O)c2csc(CNC(=O)[O-])n2)cc1 ZINC000738879496 602695507 /nfs/dbraw/zinc/69/55/07/602695507.db2.gz VVOVEEGGNXIPNO-LLVKDONJSA-N -1 0 347.440 3.525 20 0 EHADRM CC(C)N(C)c1cccc(NC(=O)Cc2ccc(NC(=O)[O-])cc2)c1 ZINC000738836312 602713759 /nfs/dbraw/zinc/71/37/59/602713759.db2.gz IGIGTTCCTBQZMH-UHFFFAOYSA-N -1 0 341.411 3.802 20 0 EHADRM O=C([O-])N1CC[C@H](CCNC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000740431119 602720722 /nfs/dbraw/zinc/72/07/22/602720722.db2.gz UQCZVPWOEZHZTD-VIFPVBQESA-N -1 0 346.214 3.505 20 0 EHADRM CN(C(=O)[O-])C1CCN(C(=O)C(C)(C)CCCc2ccccc2)CC1 ZINC000737930056 602734207 /nfs/dbraw/zinc/73/42/07/602734207.db2.gz QFGJARUKYDMUQW-UHFFFAOYSA-N -1 0 346.471 3.636 20 0 EHADRM CCCN(C(=O)C[C@@H]1CCCN1C(=O)[O-])[C@@H](C)c1ccccc1OC ZINC000826858428 602762300 /nfs/dbraw/zinc/76/23/00/602762300.db2.gz NUBORMFXGHHVJP-GJZGRUSLSA-N -1 0 348.443 3.527 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)N2CCC[C@H]2CC2CCCCC2)o1 ZINC000832677301 602770264 /nfs/dbraw/zinc/77/02/64/602770264.db2.gz AIPCXBQVLQSAQQ-AWEZNQCLSA-N -1 0 334.416 3.622 20 0 EHADRM CC(C)(C)Oc1ccccc1NC(=O)CC1CCN(C(=O)[O-])CC1 ZINC000738724409 602779900 /nfs/dbraw/zinc/77/99/00/602779900.db2.gz HALFFXKENKPKFP-UHFFFAOYSA-N -1 0 334.416 3.583 20 0 EHADRM Cc1ccc(NC(=O)CCC(C)(C)NC(=O)[O-])c(Br)c1 ZINC000740137600 602784288 /nfs/dbraw/zinc/78/42/88/602784288.db2.gz CVXMVPRXEASHJL-UHFFFAOYSA-N -1 0 343.221 3.522 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)N1CCC2(C1)CCCCC2)c1ccccc1 ZINC000740535852 602783819 /nfs/dbraw/zinc/78/38/19/602783819.db2.gz GAWIFGFAXXIMKB-KRWDZBQOSA-N -1 0 344.455 3.958 20 0 EHADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)CCC(C)(C)NC(=O)[O-] ZINC000739055629 602788976 /nfs/dbraw/zinc/78/89/76/602788976.db2.gz GRVNTDYDNXATNJ-LLVKDONJSA-N -1 0 326.824 3.686 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N[C@H](C)[C@@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000739544573 602801751 /nfs/dbraw/zinc/80/17/51/602801751.db2.gz JLODLWMJGUEXNY-IIDMSEBBSA-N -1 0 346.471 3.637 20 0 EHADRM CN(C(=O)CCC(C)(C)NC(=O)[O-])[C@@H](c1ccccc1)C(F)(F)F ZINC000739572218 602802982 /nfs/dbraw/zinc/80/29/82/602802982.db2.gz CYHSWFUKRLDAGA-ZDUSSCGKSA-N -1 0 346.349 3.575 20 0 EHADRM O=C([O-])NCc1cccc(OC(=O)CC/C=C\c2ccccc2)c1 ZINC000740679554 602805241 /nfs/dbraw/zinc/80/52/41/602805241.db2.gz KLGNXTZFQLOQDD-WTKPLQERSA-N -1 0 325.364 3.853 20 0 EHADRM CC[C@@H](NC(=O)Cc1ccc(NC(=O)[O-])cc1)c1ccc(F)cc1F ZINC000739266089 602814822 /nfs/dbraw/zinc/81/48/22/602814822.db2.gz YPVBTSXRFBOMPT-MRXNPFEDSA-N -1 0 348.349 3.865 20 0 EHADRM C[C@@H]1c2ccc(F)cc2CCN1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736839522 602816258 /nfs/dbraw/zinc/81/62/58/602816258.db2.gz BCMFQNBNMYRYHC-LLVKDONJSA-N -1 0 328.343 3.675 20 0 EHADRM CCC[C@H](NC(=O)C[C@@H](C)NC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000826745429 602817480 /nfs/dbraw/zinc/81/74/80/602817480.db2.gz XHJUEZARMHKXHK-MFKMUULPSA-N -1 0 346.349 3.709 20 0 EHADRM Cc1ccc(CC[C@@H](C)NC(=O)c2ccc(F)c(NC(=O)[O-])c2)o1 ZINC000740123355 602818932 /nfs/dbraw/zinc/81/89/32/602818932.db2.gz AWYFWOSGFCUXQN-SNVBAGLBSA-N -1 0 334.347 3.568 20 0 EHADRM C[C@H](C(=O)N1CCCc2cc(CNC(=O)[O-])ccc21)c1ccsc1 ZINC000738617966 602834051 /nfs/dbraw/zinc/83/40/51/602834051.db2.gz HWJKBUAVLJIYBF-LBPRGKRZSA-N -1 0 344.436 3.599 20 0 EHADRM C[C@H](CC(=O)Nc1cc(F)ccc1Oc1ccccc1)NC(=O)[O-] ZINC000824684947 602835364 /nfs/dbraw/zinc/83/53/64/602835364.db2.gz GWEYBUXCFLGTMQ-LLVKDONJSA-N -1 0 332.331 3.603 20 0 EHADRM CCOc1cc(C(=O)Nc2ccc(NC(=O)[O-])c(OC)c2)ccc1C ZINC000739486952 602842042 /nfs/dbraw/zinc/84/20/42/602842042.db2.gz MJWOPUXTZGJXGZ-UHFFFAOYSA-N -1 0 344.367 3.745 20 0 EHADRM CC(C)N(C(=O)[C@H](C)[C@@H](NC(=O)[O-])c1ccccc1)C1CCCC1 ZINC000823647610 602848320 /nfs/dbraw/zinc/84/83/20/602848320.db2.gz MAAXASPKNIUXDQ-RHSMWYFYSA-N -1 0 332.444 3.811 20 0 EHADRM CSCc1ccc(NC(=O)c2ccc(NC(=O)[O-])cc2O)cc1 ZINC000740014393 602858624 /nfs/dbraw/zinc/85/86/24/602858624.db2.gz KVPGQMMRRUGAPT-UHFFFAOYSA-N -1 0 332.381 3.597 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc(NC(=O)[O-])cc1O ZINC000739080916 602864293 /nfs/dbraw/zinc/86/42/93/602864293.db2.gz GJPOQDOBOHUGSV-TZMCWYRMSA-N -1 0 340.379 3.500 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000740714586 602878084 /nfs/dbraw/zinc/87/80/84/602878084.db2.gz UFVPMQVNCLLAFB-VHSXEESVSA-N -1 0 332.306 3.797 20 0 EHADRM C[C@@H](NC(=O)[C@H](C)[C@H](NC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000823714662 602881318 /nfs/dbraw/zinc/88/13/18/602881318.db2.gz QMODDHKZTCUKMY-CPUCHLNUSA-N -1 0 326.396 3.509 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cccc(Cl)c2Cl)CC[C@H]1NC(=O)[O-] ZINC000739144173 602908182 /nfs/dbraw/zinc/90/81/82/602908182.db2.gz INVJSRQWCRJVIP-WCBMZHEXSA-N -1 0 346.214 3.503 20 0 EHADRM C[C@@H](NC(=O)[O-])C(=O)Nc1cccc(CSCc2ccccc2)c1 ZINC000738995698 602911777 /nfs/dbraw/zinc/91/17/77/602911777.db2.gz VMMAVRLVJWCDTG-CYBMUJFWSA-N -1 0 344.436 3.715 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc([C@H](C)Cc2ccccc2F)n1 ZINC000738817125 602930121 /nfs/dbraw/zinc/93/01/21/602930121.db2.gz QDSOQTCYLNGEPX-RISCZKNCSA-N -1 0 335.379 3.910 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(-c2coc(-c3ccccc3)n2)n1 ZINC000738816838 602930198 /nfs/dbraw/zinc/93/01/98/602930198.db2.gz MYMGWUVBXQRWBB-GFCCVEGCSA-N -1 0 342.355 3.746 20 0 EHADRM CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)C[C@@H](C)NC(=O)[O-] ZINC000824552581 602930628 /nfs/dbraw/zinc/93/06/28/602930628.db2.gz RIWPJBGAKNKYOH-ABAIWWIYSA-N -1 0 326.824 3.542 20 0 EHADRM C[C@@H](NC(=O)CC(C)(C)NC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000738957187 602936553 /nfs/dbraw/zinc/93/65/53/602936553.db2.gz HUMQFZDCGBDQHT-MRVPVSSYSA-N -1 0 333.215 3.607 20 0 EHADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000738932135 602943941 /nfs/dbraw/zinc/94/39/41/602943941.db2.gz SRJQJDAYMRLGKT-ZDUSSCGKSA-N -1 0 349.431 3.518 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000738119463 602959178 /nfs/dbraw/zinc/95/91/78/602959178.db2.gz HTVXJQLVZFPOGE-LBPRGKRZSA-N -1 0 329.352 3.884 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000738122709 602961941 /nfs/dbraw/zinc/96/19/41/602961941.db2.gz IZKPYPIQCKKIFD-UHFFFAOYSA-N -1 0 329.352 3.668 20 0 EHADRM CCC[C@H](NC(=O)[O-])C(=O)N[C@H](Cc1ccccc1)c1cccs1 ZINC000739312399 602962538 /nfs/dbraw/zinc/96/25/38/602962538.db2.gz LRZNHRMXZVLPDL-LSDHHAIUSA-N -1 0 346.452 3.584 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)CSc2ccc(F)c(F)c2)cc1 ZINC000738670467 602962718 /nfs/dbraw/zinc/96/27/18/602962718.db2.gz SSXLALRCQLXYKW-UHFFFAOYSA-N -1 0 339.319 3.752 20 0 EHADRM CCCCCC[C@](C)(CC)C(=O)N1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000826820640 602979099 /nfs/dbraw/zinc/97/90/99/602979099.db2.gz NWVQQIYEFXBCHS-DAYGRLMNSA-N -1 0 326.481 3.878 20 0 EHADRM O=C([O-])NCCCC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000739953875 602985985 /nfs/dbraw/zinc/98/59/85/602985985.db2.gz OLVVNKBUJHLTRZ-HNNXBMFYSA-N -1 0 338.835 3.832 20 0 EHADRM COc1cccc([C@@H](C)c2nc([C@H](CC(C)C)NC(=O)[O-])no2)c1 ZINC000739946931 603001219 /nfs/dbraw/zinc/00/12/19/603001219.db2.gz ZIJQLVCLMSLVHJ-RISCZKNCSA-N -1 0 333.388 3.585 20 0 EHADRM C[C@@H](C(=O)N1C2CCCC1CCC2)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823662348 603006714 /nfs/dbraw/zinc/00/67/14/603006714.db2.gz NHVLJJLYHAVTPU-MFNRNEDNSA-N -1 0 330.428 3.565 20 0 EHADRM C[C@@H](CN(C)C(=O)[O-])c1noc(Cc2ccc(Cl)c(Cl)c2)n1 ZINC000738914418 603012302 /nfs/dbraw/zinc/01/23/02/603012302.db2.gz QGJOIBIQJGXBLB-QMMMGPOBSA-N -1 0 344.198 3.681 20 0 EHADRM Cc1cccc([C@@H](C)CNC(=O)c2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000740157475 603012343 /nfs/dbraw/zinc/01/23/43/603012343.db2.gz HLANNBTWPMUGDZ-LBPRGKRZSA-N -1 0 330.359 3.758 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NCC(=O)Nc2ccc(Cl)cc2)c1 ZINC000740703964 603019458 /nfs/dbraw/zinc/01/94/58/603019458.db2.gz FNULUTTUTPATMX-UHFFFAOYSA-N -1 0 337.738 3.620 20 0 EHADRM C[C@@H](NC(=O)[O-])c1nc(-c2cccc(Oc3ccccc3)c2)no1 ZINC000739018369 603024049 /nfs/dbraw/zinc/02/40/49/603024049.db2.gz MOYLYDRARBPXAB-LLVKDONJSA-N -1 0 325.324 3.858 20 0 EHADRM C[C@H](COc1ccccc1)NC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000738942275 603040516 /nfs/dbraw/zinc/04/05/16/603040516.db2.gz TYQUORXUHCGKPO-LLVKDONJSA-N -1 0 347.346 3.505 20 0 EHADRM CS[C@H]1CCC[C@@H](NC(=O)Nc2cc(NC(=O)[O-])ccc2F)C1 ZINC000739999804 603041324 /nfs/dbraw/zinc/04/13/24/603041324.db2.gz LZWOKKPOMIZWKQ-KOLCDFICSA-N -1 0 341.408 3.711 20 0 EHADRM Cc1ccc(C(C)(C)CN(C)C(=O)C2CCC(NC(=O)[O-])CC2)cc1 ZINC000740111859 603042023 /nfs/dbraw/zinc/04/20/23/603042023.db2.gz VNABVTOPXUNRBQ-UHFFFAOYSA-N -1 0 346.471 3.557 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)NCCCNc2ccccc2)c1 ZINC000740705335 603042235 /nfs/dbraw/zinc/04/22/35/603042235.db2.gz UDTBWGDTWRAPKE-UHFFFAOYSA-N -1 0 346.362 3.539 20 0 EHADRM CN(Cc1ccccc1F)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739711492 603042637 /nfs/dbraw/zinc/04/26/37/603042637.db2.gz SRNDFEHRJLTSPO-UHFFFAOYSA-N -1 0 335.310 3.719 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)Nc1cccc(Nc2ccccc2)c1 ZINC000740567367 603049112 /nfs/dbraw/zinc/04/91/12/603049112.db2.gz HGEYUBNGZYNFCG-IAGOWNOFSA-N -1 0 339.395 3.805 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@@H]1C(=O)Nc1cccc(Nc2ccccc2)c1 ZINC000740567370 603049207 /nfs/dbraw/zinc/04/92/07/603049207.db2.gz HGEYUBNGZYNFCG-IRXDYDNUSA-N -1 0 339.395 3.805 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000739234892 603080259 /nfs/dbraw/zinc/08/02/59/603080259.db2.gz LXYVYUMUVIXTLR-SUMWQHHRSA-N -1 0 348.443 3.767 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000739018421 603105096 /nfs/dbraw/zinc/10/50/96/603105096.db2.gz ZUWKIUDWFCOFPZ-NSHDSACASA-N -1 0 347.802 3.719 20 0 EHADRM Cc1cccc(C)c1NC(=O)CNc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000740166135 603105779 /nfs/dbraw/zinc/10/57/79/603105779.db2.gz KTUUORAZNMYBHT-AWEZNQCLSA-N -1 0 341.411 3.683 20 0 EHADRM C[C@@H](CNC(=O)c1ccc(NC(=O)[O-])cc1)Oc1ccc(Cl)cc1 ZINC000824973306 603136521 /nfs/dbraw/zinc/13/65/21/603136521.db2.gz HIRFIEUZAYCSIH-NSHDSACASA-N -1 0 348.786 3.627 20 0 EHADRM C[C@H](CNC(=O)c1cccc(NC(=O)[O-])c1)Oc1ccc(Cl)cc1 ZINC000824973108 603136632 /nfs/dbraw/zinc/13/66/32/603136632.db2.gz CYGRQQYCVDOLNL-LLVKDONJSA-N -1 0 348.786 3.627 20 0 EHADRM O=C([O-])NC1CCC(NC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000740555937 603136753 /nfs/dbraw/zinc/13/67/53/603136753.db2.gz WKIDWMILRZTCPK-UHFFFAOYSA-N -1 0 346.214 3.694 20 0 EHADRM Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(NC(=O)[O-])cc2)c(F)c1 ZINC000830358065 603157284 /nfs/dbraw/zinc/15/72/84/603157284.db2.gz JGRJUMISESKFEE-LLVKDONJSA-N -1 0 332.331 3.630 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)[C@@H]2Cc3ccccc3S2)cc1 ZINC000825418086 603170826 /nfs/dbraw/zinc/17/08/26/603170826.db2.gz RZHGVPIXFWTAER-ZBEGNZNMSA-N -1 0 342.420 3.671 20 0 EHADRM CSc1ccccc1C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000829772560 603172326 /nfs/dbraw/zinc/17/23/26/603172326.db2.gz ZUNIGBXCGSRQTC-LLVKDONJSA-N -1 0 330.409 3.989 20 0 EHADRM Cc1cccc(C)c1NC(=S)N[C@](C)(CNC(=O)[O-])CC(C)C ZINC000740167934 603174224 /nfs/dbraw/zinc/17/42/24/603174224.db2.gz XMBKJKVOMZTOEH-KRWDZBQOSA-N -1 0 337.489 3.662 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000740047806 603174936 /nfs/dbraw/zinc/17/49/36/603174936.db2.gz IMIQGUKCILOMFR-BFHYXJOUSA-N -1 0 344.411 3.745 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2cccc3cccnc32)cc1 ZINC000825448608 603175346 /nfs/dbraw/zinc/17/53/46/603175346.db2.gz FMHLCHJYYRIGQR-GFCCVEGCSA-N -1 0 335.363 3.816 20 0 EHADRM CCCOc1cc(C)ccc1NC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739361572 603175610 /nfs/dbraw/zinc/17/56/10/603175610.db2.gz PXSNSUCMSKNKSS-KBPBESRZSA-N -1 0 334.416 3.549 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000825021829 603176684 /nfs/dbraw/zinc/17/66/84/603176684.db2.gz BEBTXGFPMOGQCF-CHWSQXEVSA-N -1 0 344.386 3.972 20 0 EHADRM Cc1ccc(-c2n[nH]cc2CNc2ccc([C@H](C)NC(=O)[O-])cc2)o1 ZINC000830155648 603179680 /nfs/dbraw/zinc/17/96/80/603179680.db2.gz QNJRPDAOVVPHEO-LBPRGKRZSA-N -1 0 340.383 3.919 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2ccc3ncccc3c2)cc1 ZINC000825442695 603181006 /nfs/dbraw/zinc/18/10/06/603181006.db2.gz NEPIIPHZCCYNBB-GFCCVEGCSA-N -1 0 335.363 3.816 20 0 EHADRM COc1ccc(/C=C/C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1 ZINC000829331369 603181747 /nfs/dbraw/zinc/18/17/47/603181747.db2.gz IHBLWWVOPBZLCV-YQJFHSMKSA-N -1 0 340.379 3.676 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)Cc2cccc(Cl)c2)cc1 ZINC000825423535 603191439 /nfs/dbraw/zinc/19/14/39/603191439.db2.gz QSUIUMREFIWZGV-NSHDSACASA-N -1 0 332.787 3.850 20 0 EHADRM C[C@@H](CNC(=O)c1ccc(NC(=O)[O-])cc1)c1ccc(F)cc1F ZINC000824972912 603207603 /nfs/dbraw/zinc/20/76/03/603207603.db2.gz BBKBTTCMUFGHKU-JTQLQIEISA-N -1 0 334.322 3.588 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)o1 ZINC000832705914 603214260 /nfs/dbraw/zinc/21/42/60/603214260.db2.gz RKFYQFDRANPIIF-UHFFFAOYSA-N -1 0 329.139 3.606 20 0 EHADRM Cc1ccc([C@H]2CCCCN2C(=O)CCC(C)(C)NC(=O)[O-])cc1 ZINC000740118252 603216884 /nfs/dbraw/zinc/21/68/84/603216884.db2.gz OBGBJHHVDOWHFT-MRXNPFEDSA-N -1 0 332.444 3.875 20 0 EHADRM C[C@@H](Cc1cccs1)NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000738951632 603217549 /nfs/dbraw/zinc/21/75/49/603217549.db2.gz SZIAQSINPZFLMW-VIFPVBQESA-N -1 0 338.816 3.852 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccc(CNC(=O)[O-])o2)o1 ZINC000830282183 603230748 /nfs/dbraw/zinc/23/07/48/603230748.db2.gz OOPDXPCQFNTHKT-RISCZKNCSA-N -1 0 346.383 3.562 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)C[C@H]3CCCN3C(=O)[O-])c2)cs1 ZINC000830691112 603240745 /nfs/dbraw/zinc/24/07/45/603240745.db2.gz KRWCEKZPFCZFTO-CQSZACIVSA-N -1 0 345.424 3.590 20 0 EHADRM C[C@H](Nc1cccc2c1CCN(C(=O)[O-])C2)c1nc(C(C)(C)C)no1 ZINC000739035233 603243723 /nfs/dbraw/zinc/24/37/23/603243723.db2.gz GQOWJTDHRZSHTM-NSHDSACASA-N -1 0 344.415 3.576 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)NC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000830329572 603254036 /nfs/dbraw/zinc/25/40/36/603254036.db2.gz XZIMDXWZSJLLFW-OAHLLOKOSA-N -1 0 347.802 3.779 20 0 EHADRM Cc1cc(F)ccc1NC(=O)[C@@H](NC(=O)[O-])c1cccc(Cl)c1 ZINC000740083656 603264077 /nfs/dbraw/zinc/26/40/77/603264077.db2.gz YDUGEPOIDAANSY-AWEZNQCLSA-N -1 0 336.750 3.735 20 0 EHADRM COc1cc(NC(=O)N[C@H](C)C2CCCCC2)ccc1NC(=O)[O-] ZINC000829158497 603281902 /nfs/dbraw/zinc/28/19/02/603281902.db2.gz FFWQPVMBQQMMLX-LLVKDONJSA-N -1 0 335.404 3.875 20 0 EHADRM O=C([O-])NCc1cccc(OC(=O)CCc2cc(Cl)cs2)c1 ZINC000740680757 603289496 /nfs/dbraw/zinc/28/94/96/603289496.db2.gz UQZBGTLKACOEQP-UHFFFAOYSA-N -1 0 339.800 3.707 20 0 EHADRM Cc1ccc(C(=O)NC[C@H]2CCCc3ccccc32)cc1NC(=O)[O-] ZINC000830216999 603291026 /nfs/dbraw/zinc/29/10/26/603291026.db2.gz OFJKXEREXJIHCQ-MRXNPFEDSA-N -1 0 338.407 3.935 20 0 EHADRM COc1ccc([C@H](C)NC(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1 ZINC000829301717 603299102 /nfs/dbraw/zinc/29/91/02/603299102.db2.gz DBZFARLSDLGLNR-LBPRGKRZSA-N -1 0 328.368 3.585 20 0 EHADRM C[C@@H](CC(=O)N(Cc1c(Cl)cccc1Cl)C1CC1)NC(=O)[O-] ZINC000824557318 603302241 /nfs/dbraw/zinc/30/22/41/603302241.db2.gz FTBLZZWTHCEGGB-VIFPVBQESA-N -1 0 345.226 3.531 20 0 EHADRM CCN(C(=O)c1ccc(C)c(NC(=O)[O-])c1)c1ccc(OC)cc1 ZINC000826983424 603310002 /nfs/dbraw/zinc/31/00/02/603310002.db2.gz PMFCMWLPZGFUEE-UHFFFAOYSA-N -1 0 328.368 3.760 20 0 EHADRM CCOCc1ccccc1CNC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000827408916 603310363 /nfs/dbraw/zinc/31/03/63/603310363.db2.gz KFQWWPKDNZYYGS-UHFFFAOYSA-N -1 0 342.395 3.551 20 0 EHADRM CCC[C@@H]1[C@@H](C)CCCN1C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000826767980 603320319 /nfs/dbraw/zinc/32/03/19/603320319.db2.gz ATKJYGQGHBGMDB-XJKSGUPXSA-N -1 0 333.432 3.887 20 0 EHADRM Cc1ccc(C(=O)Nc2ccccc2-n2cccn2)cc1NC(=O)[O-] ZINC000830233807 603323406 /nfs/dbraw/zinc/32/34/06/603323406.db2.gz ICWMTZCDIOFVGK-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM CC[C@@H](NC(=O)Nc1cc(NC(=O)[O-])ccc1F)c1ccncc1 ZINC000826613385 603325743 /nfs/dbraw/zinc/32/57/43/603325743.db2.gz IVFXHRVJYDPIPG-CYBMUJFWSA-N -1 0 332.335 3.583 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)NCCCCc2ccccc2)c1 ZINC000740678082 603325852 /nfs/dbraw/zinc/32/58/52/603325852.db2.gz RBZPZPHPIKIYEX-UHFFFAOYSA-N -1 0 341.411 3.599 20 0 EHADRM CN(Cc1ccccc1NC(=O)N[C@@H]1C[C@H]1C1CCCCC1)C(=O)[O-] ZINC000828399589 603327817 /nfs/dbraw/zinc/32/78/17/603327817.db2.gz BYXCDWWTOIHBHS-DOTOQJQBSA-N -1 0 345.443 3.887 20 0 EHADRM C[C@@H](C1CC1)N(C(=O)Nc1ccccc1CN(C)C(=O)[O-])C1CC1 ZINC000824543524 603329485 /nfs/dbraw/zinc/32/94/85/603329485.db2.gz JGLCOPKQZZHIOF-LBPRGKRZSA-N -1 0 331.416 3.591 20 0 EHADRM C[C@H](C(=O)N1CC[C@@H]1c1ccccc1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823660372 603330919 /nfs/dbraw/zinc/33/09/19/603330919.db2.gz AEBXVYZAHMVJMR-BMGDILEWSA-N -1 0 338.407 3.605 20 0 EHADRM CCN(Cc1ccccc1NC(=O)NCc1ccc(C)cc1)C(=O)[O-] ZINC000739444326 603350931 /nfs/dbraw/zinc/35/09/31/603350931.db2.gz WIGKUWCHGIRFOY-UHFFFAOYSA-N -1 0 341.411 3.817 20 0 EHADRM CCN(Cc1ccccc1NC(=O)NCc1ccccc1)C(=O)[O-] ZINC000739441653 603352259 /nfs/dbraw/zinc/35/22/59/603352259.db2.gz CYDWNLNAZKSIKV-UHFFFAOYSA-N -1 0 327.384 3.508 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N1C[C@@H](C)C[C@H](C)C1)C(=O)[O-] ZINC000739447796 603353841 /nfs/dbraw/zinc/35/38/41/603353841.db2.gz OZZKKIUYDDLQHT-KBPBESRZSA-N -1 0 333.432 3.696 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N[C@H]1CCCC[C@H]1C)C(=O)[O-] ZINC000739449521 603354050 /nfs/dbraw/zinc/35/40/50/603354050.db2.gz XGOUBXWFQCZYHY-HIFRSBDPSA-N -1 0 333.432 3.887 20 0 EHADRM CN(Cc1cccc(NC(=O)N(C)CC2CCCCC2)c1)C(=O)[O-] ZINC000739706567 603358085 /nfs/dbraw/zinc/35/80/85/603358085.db2.gz BFOMIEDFDOBAFH-UHFFFAOYSA-N -1 0 333.432 3.840 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)N2CCCCC[C@H]2c2ccccc2)o1 ZINC000832684911 603362881 /nfs/dbraw/zinc/36/28/81/603362881.db2.gz XCAMRWDGIWLGEH-INIZCTEOSA-N -1 0 342.395 3.805 20 0 EHADRM C[C@@H]1CN(C(=O)/C=C\c2ccc(C(C)(C)C)cc2)CC[C@H]1NC(=O)[O-] ZINC000739130721 603363064 /nfs/dbraw/zinc/36/30/64/603363064.db2.gz VZHJTQWRACQUKJ-HAZJURQKSA-N -1 0 344.455 3.502 20 0 EHADRM Cc1ccc(C(=O)Nc2cccc(-c3cnco3)c2)cc1NC(=O)[O-] ZINC000830234350 603369790 /nfs/dbraw/zinc/36/97/90/603369790.db2.gz RJUWOSHYHZCTNV-UHFFFAOYSA-N -1 0 337.335 3.992 20 0 EHADRM COc1cc(C)ccc1NC(=O)[C@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000829100951 603372899 /nfs/dbraw/zinc/37/28/99/603372899.db2.gz BTLHRNBEHRHGPR-CXAGYDPISA-N -1 0 342.395 3.587 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)c1cccc(NC(=O)[O-])c1)C(C)C ZINC000738785758 603392891 /nfs/dbraw/zinc/39/28/91/603392891.db2.gz MCNAJOASQAHSMG-OAHLLOKOSA-N -1 0 327.384 3.607 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)[C@H](C)[C@H](NC(=O)[O-])c2ccccc2)s1 ZINC000830250772 603394744 /nfs/dbraw/zinc/39/47/44/603394744.db2.gz KDKJOIPHBWFFPQ-WWGRRREGSA-N -1 0 346.452 3.879 20 0 EHADRM COc1ccc(NC(=O)c2cc3cccc(F)c3o2)cc1NC(=O)[O-] ZINC000739924682 603394926 /nfs/dbraw/zinc/39/49/26/603394926.db2.gz VLWAPQJLOXXCHW-UHFFFAOYSA-N -1 0 344.298 3.923 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2CCSC[C@@H]2c2ccccc2)c1 ZINC000740030054 603399214 /nfs/dbraw/zinc/39/92/14/603399214.db2.gz VLZTVSCIDTWEDW-MRXNPFEDSA-N -1 0 342.420 3.707 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)o1 ZINC000832692552 603406069 /nfs/dbraw/zinc/40/60/69/603406069.db2.gz YJHXEEUGSXMDNR-HZPDHXFCSA-N -1 0 342.395 3.503 20 0 EHADRM CC(C)[C@H](CNC(=O)c1sc2ccccc2c1Cl)NC(=O)[O-] ZINC000738793019 603414190 /nfs/dbraw/zinc/41/41/90/603414190.db2.gz ISIDNUPEOHTFBE-JTQLQIEISA-N -1 0 340.832 3.577 20 0 EHADRM C[C@H](CC(=O)Nc1cccc(CO[C@H]2CCC[C@@H](C)C2)c1)NC(=O)[O-] ZINC000825889016 603427916 /nfs/dbraw/zinc/42/79/16/603427916.db2.gz SJYBENUGWPTMBF-CPUCHLNUSA-N -1 0 348.443 3.767 20 0 EHADRM CC(C)CCSCC(=O)N1CCCN(C(=O)[O-])c2ccccc21 ZINC000738823444 603429887 /nfs/dbraw/zinc/42/98/87/603429887.db2.gz UEIIILDJSMEJKO-UHFFFAOYSA-N -1 0 336.457 3.687 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)C2(c3cccc(F)c3)CC2)c1 ZINC000740705683 603430595 /nfs/dbraw/zinc/43/05/95/603430595.db2.gz SUKHHYGNUDTEOD-UHFFFAOYSA-N -1 0 332.306 3.725 20 0 EHADRM CO[C@@H](CNC(=O)c1ccc(NC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000737736210 603434076 /nfs/dbraw/zinc/43/40/76/603434076.db2.gz XBCMXBHQBCGACU-HNNXBMFYSA-N -1 0 348.786 3.547 20 0 EHADRM C[C@@H](CC(=O)Oc1cccc(NC(=O)[O-])c1)C(=O)c1cccc(F)c1 ZINC000824743728 603437483 /nfs/dbraw/zinc/43/74/83/603437483.db2.gz PINOBEWDJBNBJR-NSHDSACASA-N -1 0 345.326 3.730 20 0 EHADRM O=C([O-])N[C@H]1CC[C@H](C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000832285199 603452875 /nfs/dbraw/zinc/45/28/75/603452875.db2.gz DNYIPOVTNPEBCL-BBRMVZONSA-N -1 0 336.391 3.633 20 0 EHADRM CSc1ccc(NC(=O)NCCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738213362 603464986 /nfs/dbraw/zinc/46/49/86/603464986.db2.gz SCPMZWYGYMTQLQ-UHFFFAOYSA-N -1 0 345.424 3.863 20 0 EHADRM C[C@]1(c2ccccc2)CCN(C(=O)Nc2ccc(NC(=O)[O-])cc2)C1 ZINC000825772935 603470234 /nfs/dbraw/zinc/47/02/34/603470234.db2.gz UCLDEJHYJHFOKC-IBGZPJMESA-N -1 0 339.395 3.972 20 0 EHADRM COc1ccc(CCCC(=O)Oc2cccc(NC(=O)[O-])c2)cc1 ZINC000829349003 603480705 /nfs/dbraw/zinc/48/07/05/603480705.db2.gz HTJWBRBZRKQLMS-UHFFFAOYSA-N -1 0 329.352 3.713 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N(C)[C@H](C)C(C)(C)C ZINC000829167460 603530957 /nfs/dbraw/zinc/53/09/57/603530957.db2.gz LLTCMMGSYIONCR-SECBINFHSA-N -1 0 342.823 3.945 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000827914531 603543418 /nfs/dbraw/zinc/54/34/18/603543418.db2.gz XYTOLUKLSICFFU-UHFFFAOYSA-N -1 0 341.150 3.722 20 0 EHADRM C[C@@H](OC(=O)Cc1ccc(NC(=O)[O-])cc1)c1ncc(C(C)(C)C)o1 ZINC000825592053 603582944 /nfs/dbraw/zinc/58/29/44/603582944.db2.gz FSXMHPARPSPTSN-LLVKDONJSA-N -1 0 346.383 3.909 20 0 EHADRM CC(C)C[C@H]1CCN(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])C1 ZINC000824233233 603591480 /nfs/dbraw/zinc/59/14/80/603591480.db2.gz XLYOSSQEGMKIOC-CYBMUJFWSA-N -1 0 331.416 3.627 20 0 EHADRM CC(C)(C)c1nc(CON=C(N)c2cccc(NC(=O)[O-])c2)cs1 ZINC000823864628 603619321 /nfs/dbraw/zinc/61/93/21/603619321.db2.gz PQLNKOYAOCDTEH-UHFFFAOYSA-N -1 0 348.428 3.577 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)N(C)[C@@H]2CCN(C(=O)[O-])C2)cc1 ZINC000830148792 603695460 /nfs/dbraw/zinc/69/54/60/603695460.db2.gz JTRHDSZRWDQFHA-CQSZACIVSA-N -1 0 344.436 3.548 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)C2(Cc3ccccc3)CC2)c1 ZINC000829469440 603735702 /nfs/dbraw/zinc/73/57/02/603735702.db2.gz QGDRMAROVBKZBZ-UHFFFAOYSA-N -1 0 340.379 3.747 20 0 EHADRM CC(C)(C)OCc1ccc(NC(=O)C2(NC(=O)[O-])CCCC2)cc1 ZINC000823833150 603831089 /nfs/dbraw/zinc/83/10/89/603831089.db2.gz JKVLWIPDJQEHFT-UHFFFAOYSA-N -1 0 334.416 3.521 20 0 EHADRM O=C([O-])N1CCc2cccc(CNCc3cc(-c4ccccc4)no3)c21 ZINC000832087193 603858316 /nfs/dbraw/zinc/85/83/16/603858316.db2.gz OLUUKSCUHJDWEI-UHFFFAOYSA-N -1 0 349.390 3.672 20 0 EHADRM Cc1[nH]ccc1C(=O)Nc1cc(C(F)(F)F)ccc1NC(=O)[O-] ZINC000829827408 603888579 /nfs/dbraw/zinc/88/85/79/603888579.db2.gz ASQHOMZNSGYXRW-UHFFFAOYSA-N -1 0 327.262 3.684 20 0 EHADRM Cc1cccc(C)c1NC(=O)[C@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000830489357 603905420 /nfs/dbraw/zinc/90/54/20/603905420.db2.gz VIBMQVLFBZWSTC-PBHICJAKSA-N -1 0 326.396 3.887 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@H]1C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000832337659 603929345 /nfs/dbraw/zinc/92/93/45/603929345.db2.gz CDHSIKRUOHKZBL-OLZOCXBDSA-N -1 0 344.333 3.556 20 0 EHADRM O=C([O-])N[C@H]1CC[C@@H](C(=O)Nc2cccc(CCC(F)(F)F)c2)C1 ZINC000832284245 603929697 /nfs/dbraw/zinc/92/96/97/603929697.db2.gz ARZUUUJUKQOLDV-YPMHNXCESA-N -1 0 344.333 3.556 20 0 EHADRM CSc1ccccc1C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000829772051 603941956 /nfs/dbraw/zinc/94/19/56/603941956.db2.gz MATXYUNVFNREJY-UHFFFAOYSA-N -1 0 328.393 3.701 20 0 EHADRM O=C([O-])N[C@H]1CC[C@@H](C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000832296875 603943927 /nfs/dbraw/zinc/94/39/27/603943927.db2.gz LZYBONSLWYCKTC-SJORKVTESA-N -1 0 338.407 3.652 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)C1(Cc2ccccc2)CC1 ZINC000832070041 603945075 /nfs/dbraw/zinc/94/50/75/603945075.db2.gz VQRVCXKLAPZAKS-UHFFFAOYSA-N -1 0 336.391 3.689 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000826939166 603951052 /nfs/dbraw/zinc/95/10/52/603951052.db2.gz CBULRKFRSPSLFG-ZYHUDNBSSA-N -1 0 340.807 3.504 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)c1ccc(-c2cnco2)cc1 ZINC000831797587 603958139 /nfs/dbraw/zinc/95/81/39/603958139.db2.gz MHKTXNLFOFRLTO-UHFFFAOYSA-N -1 0 349.346 3.634 20 0 EHADRM Cc1cc(NC(=O)C2CCC(NC(=O)[O-])CC2)ccc1C(F)(F)F ZINC000830097970 603960219 /nfs/dbraw/zinc/96/02/19/603960219.db2.gz QXTNYDACFVGCAR-UHFFFAOYSA-N -1 0 344.333 3.779 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)N(Cc2cccc(F)c2)C2CCCC2)C1 ZINC000832239616 603976212 /nfs/dbraw/zinc/97/62/12/603976212.db2.gz MDWPYSHIKHCMHO-GOEBONIOSA-N -1 0 348.418 3.533 20 0 EHADRM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000830555787 603980374 /nfs/dbraw/zinc/98/03/74/603980374.db2.gz ZQHVRVHVQSWYTC-VYDXJSESSA-N -1 0 332.444 3.587 20 0 EHADRM Cc1ccc(CN(C)C(=O)Nc2cccc3c2CCN3C(=O)[O-])s1 ZINC000830302607 603989795 /nfs/dbraw/zinc/98/97/95/603989795.db2.gz KVVMNUDNXPUMJS-UHFFFAOYSA-N -1 0 345.424 3.761 20 0 EHADRM O=C([O-])Nc1cc2c(cc1NC(=O)c1coc3ccccc13)OCO2 ZINC000832829641 604013424 /nfs/dbraw/zinc/01/34/24/604013424.db2.gz XYBANNOHPXQBJT-UHFFFAOYSA-N -1 0 340.291 3.504 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2ccc3c(c2)C(=O)CCC3)ccc1F ZINC000832820559 604014738 /nfs/dbraw/zinc/01/47/38/604014738.db2.gz GGNVTNDPIBXQFC-UHFFFAOYSA-N -1 0 342.326 3.687 20 0 EHADRM O=C(/C=C\SCc1ccco1)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000831292187 604045265 /nfs/dbraw/zinc/04/52/65/604045265.db2.gz KIDMKESIJLPRLP-TWGQIWQCSA-N -1 0 344.392 3.706 20 0 EHADRM COc1cc(NC(=O)c2cc(C)c(F)cc2F)ccc1NC(=O)[O-] ZINC000829198312 604051371 /nfs/dbraw/zinc/05/13/71/604051371.db2.gz SKXOGOUNHPOMIA-UHFFFAOYSA-N -1 0 336.294 3.624 20 0 EHADRM CC(C)c1ccccc1NC(=O)N1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000824475965 604064722 /nfs/dbraw/zinc/06/47/22/604064722.db2.gz DTJSMCSIUCQZRU-UONOGXRCSA-N -1 0 333.432 3.710 20 0 EHADRM Cc1cccc(CC2CN(C(=O)c3ccc(C)c(NC(=O)[O-])c3)C2)c1 ZINC000830492172 604093288 /nfs/dbraw/zinc/09/32/88/604093288.db2.gz HGIBGVITACCNMG-UHFFFAOYSA-N -1 0 338.407 3.708 20 0 EHADRM CC(C)c1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc1 ZINC000824470100 604118611 /nfs/dbraw/zinc/11/86/11/604118611.db2.gz LFFUAUKPJYJXTA-CVEARBPZSA-N -1 0 331.416 3.559 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)N(C)C1CCC(NC(=O)[O-])CC1 ZINC000830328623 604120012 /nfs/dbraw/zinc/12/00/12/604120012.db2.gz IPDGQGBZZPITBU-UHFFFAOYSA-N -1 0 339.823 3.691 20 0 EHADRM CCS[C@H]1CCC[C@H]1NC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000827503727 604127369 /nfs/dbraw/zinc/12/73/69/604127369.db2.gz LIHJEBUCOSJJIH-YPMHNXCESA-N -1 0 341.408 3.711 20 0 EHADRM C[C@@H](c1ccco1)N(C(=O)Nc1cccc(CNC(=O)[O-])c1)C1CC1 ZINC000825645255 604137085 /nfs/dbraw/zinc/13/70/85/604137085.db2.gz MZFIGSDGBWYBFM-LBPRGKRZSA-N -1 0 343.383 3.805 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)N3C[C@@H]4CCCC[C@H]4C3)ccc21 ZINC000831772701 604140568 /nfs/dbraw/zinc/14/05/68/604140568.db2.gz MSDAOPQSMVNVPA-GJZGRUSLSA-N -1 0 343.427 3.771 20 0 EHADRM CCN(Cc1ccccc1NC(=O)Cc1cccc(F)c1F)C(=O)[O-] ZINC000827182058 604170663 /nfs/dbraw/zinc/17/06/63/604170663.db2.gz DYSRTKKNTDTTLP-UHFFFAOYSA-N -1 0 348.349 3.646 20 0 EHADRM CC(C)C[C@@H](C)OCCC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000824182541 604172897 /nfs/dbraw/zinc/17/28/97/604172897.db2.gz KFFSRPIDTZAUKY-LLVKDONJSA-N -1 0 326.368 3.695 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)Oc2ccccc2-c2ccccc2)o1 ZINC000832715255 604221006 /nfs/dbraw/zinc/22/10/06/604221006.db2.gz QTGQGLYWSKNUMZ-UHFFFAOYSA-N -1 0 337.331 3.933 20 0 EHADRM C[C@H](OC(=O)CC1(NC(=O)[O-])CCC1)c1ncc(-c2ccccc2)o1 ZINC000825579461 604237986 /nfs/dbraw/zinc/23/79/86/604237986.db2.gz MIYQDBSQYGCUID-LBPRGKRZSA-N -1 0 344.367 3.526 20 0 EHADRM COc1ccc(F)c(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)c1 ZINC000829414243 604256941 /nfs/dbraw/zinc/25/69/41/604256941.db2.gz OPPGBQSDQSEGGG-UHFFFAOYSA-N -1 0 338.722 3.830 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N(C)Cc1ccc2ccccc2c1 ZINC000832846648 604268001 /nfs/dbraw/zinc/26/80/01/604268001.db2.gz YANCXWWXVWIOBK-UHFFFAOYSA-N -1 0 336.391 3.755 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000738164154 604268461 /nfs/dbraw/zinc/26/84/61/604268461.db2.gz TZQUQDCVGPZRHU-LBPRGKRZSA-N -1 0 340.423 3.700 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(Cl)c3ncccc23)cc1F ZINC000833159453 604274550 /nfs/dbraw/zinc/27/45/50/604274550.db2.gz RTBHDAMKHJQEEP-UHFFFAOYSA-N -1 0 344.729 3.978 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000832959066 604283372 /nfs/dbraw/zinc/28/33/72/604283372.db2.gz YKPXYNPEIQXNFN-SFHVURJKSA-N -1 0 336.391 3.683 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCCC[C@H]2c2ccncc2)cc1F ZINC000833309788 604284347 /nfs/dbraw/zinc/28/43/47/604284347.db2.gz MVJHKXKYQRKRRR-KRWDZBQOSA-N -1 0 342.370 3.676 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1ccc(-c2ccco2)s1)c1ccccc1 ZINC000833135890 604296241 /nfs/dbraw/zinc/29/62/41/604296241.db2.gz VOSPLDIECKJEGZ-CYBMUJFWSA-N -1 0 341.388 3.606 20 0 EHADRM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1c(C)[nH]c(C(=O)[O-])c1C ZINC000737782741 604316592 /nfs/dbraw/zinc/31/65/92/604316592.db2.gz FYJACJYKUMORQW-CQSZACIVSA-N -1 0 348.830 3.734 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000389932782 604320698 /nfs/dbraw/zinc/32/06/98/604320698.db2.gz JNOTYLCOXIMBSW-SNVBAGLBSA-N -1 0 333.775 3.658 20 0 EHADRM C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828527925 604337340 /nfs/dbraw/zinc/33/73/40/604337340.db2.gz QHOXQJLFCGCSGI-SECBINFHSA-N -1 0 349.308 3.562 20 0 EHADRM Cc1ccc(CC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])s1 ZINC000832930668 604379163 /nfs/dbraw/zinc/37/91/63/604379163.db2.gz ZFOYJVBZXCGCPZ-INIZCTEOSA-N -1 0 331.437 3.567 20 0 EHADRM Cc1cc([C@@H](C)N(C)Cc2ccc(Br)o2)oc1C(=O)[O-] ZINC000584356701 604381252 /nfs/dbraw/zinc/38/12/52/604381252.db2.gz ZMIUWQHTGVGUOJ-SECBINFHSA-N -1 0 342.189 3.835 20 0 EHADRM Cc1cc(F)c(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1F ZINC000832887292 604381814 /nfs/dbraw/zinc/38/18/14/604381814.db2.gz NLNJBNNWVDJFLH-MRXNPFEDSA-N -1 0 347.361 3.855 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)CCc1ccccc1)c1ccccc1 ZINC000826090172 604383965 /nfs/dbraw/zinc/38/39/65/604383965.db2.gz QLTCFNWRTCGYRD-SFHVURJKSA-N -1 0 325.408 3.588 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1cccc2cnccc21)c1ccccc1 ZINC000826105878 604384314 /nfs/dbraw/zinc/38/43/14/604384314.db2.gz LXWMJUNLMCRBOX-SFHVURJKSA-N -1 0 348.402 3.817 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc(F)cc1C(F)(F)F)c1ccccc1 ZINC000833245477 604390292 /nfs/dbraw/zinc/39/02/92/604390292.db2.gz FMVXVRNDYYCREG-UHFFFAOYSA-N -1 0 341.260 3.576 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)O[C@@H]2CCc3sc(Cl)cc32)C1 ZINC000833190040 604415580 /nfs/dbraw/zinc/41/55/80/604415580.db2.gz VQZKPJLIGLYUKF-WCABBAIRSA-N -1 0 328.817 3.823 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cc(F)ccc1F ZINC000829025722 604429010 /nfs/dbraw/zinc/42/90/10/604429010.db2.gz FKXXQKBGXPAUGU-MRXNPFEDSA-N -1 0 333.334 3.643 20 0 EHADRM O=C([O-])c1cc(NC(=O)/C=C/c2ccnc(Cl)c2)ccc1Cl ZINC000833095607 604432318 /nfs/dbraw/zinc/43/23/18/604432318.db2.gz VKKXFRDGYANUBV-DAFODLJHSA-N -1 0 337.162 3.739 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NCc2nnc(-c3ccccc3)o2)cc1 ZINC000825449618 604441035 /nfs/dbraw/zinc/44/10/35/604441035.db2.gz VANXYMWRDSHSLU-LBPRGKRZSA-N -1 0 338.367 3.677 20 0 EHADRM O=C([O-])[C@H]1Cc2ccccc2CN1Cc1cc2cc(F)ccc2o1 ZINC000833193977 604467601 /nfs/dbraw/zinc/46/76/01/604467601.db2.gz VEEPYQUVARSIRV-QGZVFWFLSA-N -1 0 325.339 3.583 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000827654013 604477969 /nfs/dbraw/zinc/47/79/69/604477969.db2.gz WECOWCQVLQQEHX-MWLCHTKSSA-N -1 0 345.226 3.703 20 0 EHADRM C[C@@H](NC(=O)Nc1cc(C(=O)[O-])cs1)c1nc2ccccc2s1 ZINC000827665223 604485085 /nfs/dbraw/zinc/48/50/85/604485085.db2.gz PDCKUFHWIIFVHD-MRVPVSSYSA-N -1 0 347.421 3.939 20 0 EHADRM Cc1ccc(OCCCCNC(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000832952615 604488398 /nfs/dbraw/zinc/48/83/98/604488398.db2.gz VLDNJGSZAXYSLD-UHFFFAOYSA-N -1 0 348.424 3.735 20 0 EHADRM O=C([O-])c1csc(NC(=O)N[C@@H]2CCSc3ccccc32)c1 ZINC000833151141 604489342 /nfs/dbraw/zinc/48/93/42/604489342.db2.gz NLWNOQCRNMQEBM-LLVKDONJSA-N -1 0 334.422 3.805 20 0 EHADRM CC(C)OCc1ccccc1CNC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000827034001 604491569 /nfs/dbraw/zinc/49/15/69/604491569.db2.gz YWLYVZLGAQVEET-UHFFFAOYSA-N -1 0 348.424 3.693 20 0 EHADRM C[C@@H](Oc1cccc(Cl)c1)C(=O)OC1CCC(CC(=O)[O-])CC1 ZINC000833540999 604496114 /nfs/dbraw/zinc/49/61/14/604496114.db2.gz PBUASQPNXMQAIA-LKSINWNRSA-N -1 0 340.803 3.684 20 0 EHADRM O=C([O-])N1CCC(CNc2cccc(COCc3ccco3)c2)CC1 ZINC000831888969 604502820 /nfs/dbraw/zinc/50/28/20/604502820.db2.gz OUPGJBUFQOVFJN-UHFFFAOYSA-N -1 0 344.411 3.798 20 0 EHADRM C[C@@H]1CC[C@@H](C)N(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000828215089 604524561 /nfs/dbraw/zinc/52/45/61/604524561.db2.gz ZISFRFBCXXNAPQ-IIAWOOMASA-N -1 0 332.444 3.669 20 0 EHADRM CC[C@@H](C)CN(CC)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000828747655 604529947 /nfs/dbraw/zinc/52/99/47/604529947.db2.gz RVGGPKDYBUTYOQ-ZBFHGGJFSA-N -1 0 334.460 3.916 20 0 EHADRM C[C@@H]1CCCN(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])[C@@H]1C ZINC000828266121 604530102 /nfs/dbraw/zinc/53/01/02/604530102.db2.gz PNPCBFPJPDNJKS-IIAWOOMASA-N -1 0 332.444 3.669 20 0 EHADRM O=C([O-])N[C@@H]1CCN(C(=O)Nc2ccccc2SC2CCCC2)C1 ZINC000740590733 604532805 /nfs/dbraw/zinc/53/28/05/604532805.db2.gz USHNJTHMMYQSST-GFCCVEGCSA-N -1 0 349.456 3.595 20 0 EHADRM CN(C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])C1CCCCC1 ZINC000830500095 604535010 /nfs/dbraw/zinc/53/50/10/604535010.db2.gz JBHLSQSZOGVDHG-INIZCTEOSA-N -1 0 332.444 3.813 20 0 EHADRM CC(C)[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000833466381 604536568 /nfs/dbraw/zinc/53/65/68/604536568.db2.gz YBDLTHRTUSRJLE-KRWDZBQOSA-N -1 0 329.371 3.580 20 0 EHADRM CC(C)[C@@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000833466604 604543510 /nfs/dbraw/zinc/54/35/10/604543510.db2.gz JBJFPSZPHZHQEH-GOSISDBHSA-N -1 0 343.398 3.922 20 0 EHADRM C/C(=C/c1ccccc1Cl)C(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC000833386345 604546029 /nfs/dbraw/zinc/54/60/29/604546029.db2.gz NVCNBUPXVDFJOM-CFYYFVFUSA-N -1 0 335.812 3.747 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)CCC(=O)c2cccs2)oc1C(=O)[O-] ZINC000832876817 604547164 /nfs/dbraw/zinc/54/71/64/604547164.db2.gz RQUFZHOQGPJQES-SNVBAGLBSA-N -1 0 336.365 3.615 20 0 EHADRM CCC[C@@H](C(=O)NCCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000262132972 604547538 /nfs/dbraw/zinc/54/75/38/604547538.db2.gz KRWQACHFWVEZCD-GOSISDBHSA-N -1 0 325.408 3.627 20 0 EHADRM Cc1cc([C@H](C)OC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)oc1C(=O)[O-] ZINC000832877542 604553234 /nfs/dbraw/zinc/55/32/34/604553234.db2.gz UKZHBRWSSPPIII-GDLCADMTSA-N -1 0 332.327 3.833 20 0 EHADRM CCO[C@H](C(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1)c1ccccc1 ZINC000829901183 604571595 /nfs/dbraw/zinc/57/15/95/604571595.db2.gz JEPDYGPKPCXJPG-LRDDRELGSA-N -1 0 332.352 3.668 20 0 EHADRM CCO[C@@H](C(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1)c1ccccc1 ZINC000829901179 604571657 /nfs/dbraw/zinc/57/16/57/604571657.db2.gz JEPDYGPKPCXJPG-BLLLJJGKSA-N -1 0 332.352 3.668 20 0 EHADRM C/C(=C/C(=O)N1CCC[C@H]1CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000825717234 604577757 /nfs/dbraw/zinc/57/77/57/604577757.db2.gz TXIYHPJGEQMING-MSKHEQNASA-N -1 0 341.329 3.574 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2cc(F)c(F)c(F)c2)oc1C(=O)[O-] ZINC000832874232 604581248 /nfs/dbraw/zinc/58/12/48/604581248.db2.gz IHRPGVIZVKNLOA-ZETCQYMHSA-N -1 0 328.242 3.622 20 0 EHADRM CC(C)(C(=O)NCCc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000262129764 604582829 /nfs/dbraw/zinc/58/28/29/604582829.db2.gz HJRNDAFONHJXJA-UHFFFAOYSA-N -1 0 345.826 3.675 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000262819712 604584224 /nfs/dbraw/zinc/58/42/24/604584224.db2.gz AKWHAEUPGFBWTP-GWCFXTLKSA-N -1 0 344.238 3.638 20 0 EHADRM Cc1cc([C@H](C)OC(=O)C[C@@H](C)C(=O)c2ccccc2)oc1C(=O)[O-] ZINC000832875901 604586451 /nfs/dbraw/zinc/58/64/51/604586451.db2.gz PGQFWWUWFBHAAN-YPMHNXCESA-N -1 0 344.363 3.800 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000262819570 604599471 /nfs/dbraw/zinc/59/94/71/604599471.db2.gz AJSHCRYOYKSAPW-CQSZACIVSA-N -1 0 337.375 3.974 20 0 EHADRM O=C([O-])[C@H](OC(=O)/C=C\SCc1ccco1)c1ccc(F)cc1 ZINC000833093240 604600846 /nfs/dbraw/zinc/60/08/46/604600846.db2.gz WVZCTKPOXUIXCS-SOIVGHGOSA-N -1 0 336.340 3.535 20 0 EHADRM C[C@@H]1CCCN(C(=O)Nc2cccc(SCCC(=O)[O-])c2)CC1 ZINC000833614941 604602054 /nfs/dbraw/zinc/60/20/54/604602054.db2.gz XXMCLYNVKCNOOJ-CYBMUJFWSA-N -1 0 336.457 3.907 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2ccnn2C2CCCC2)oc1C(=O)[O-] ZINC000832873936 604606117 /nfs/dbraw/zinc/60/61/17/604606117.db2.gz GLOULXGSHXRINP-NSHDSACASA-N -1 0 332.356 3.516 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N2CCC[C@H]2CC(=O)[O-])cc1Cl ZINC000827054935 604614594 /nfs/dbraw/zinc/61/45/94/604614594.db2.gz QFWIUXLXAQFBQS-LBPRGKRZSA-N -1 0 340.807 3.598 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)NCC12CCC(CC1)C2)C(=O)[O-] ZINC000630297185 604649552 /nfs/dbraw/zinc/64/95/52/604649552.db2.gz NBSBNICHJQRRSX-WHENESEISA-N -1 0 333.453 3.562 20 0 EHADRM C[C@@H](OC(=O)c1ccccc1S[C@H](C)C(=O)[O-])c1ccncc1 ZINC000833544250 604655179 /nfs/dbraw/zinc/65/51/79/604655179.db2.gz DCFGWHUYQRWNFZ-VXGBXAGGSA-N -1 0 331.393 3.565 20 0 EHADRM O=C([O-])c1ccc(-c2noc(Cc3ccc(F)cc3Cl)n2)cc1 ZINC000833308372 604665366 /nfs/dbraw/zinc/66/53/66/604665366.db2.gz OGBALOKZOVTSCV-UHFFFAOYSA-N -1 0 332.718 3.818 20 0 EHADRM O=C([O-])c1cc(CN2CCCC[C@@H]2c2nc3ccccc3o2)c[nH]1 ZINC000833779183 604682218 /nfs/dbraw/zinc/68/22/18/604682218.db2.gz KDBGINLPHLAIDQ-OAHLLOKOSA-N -1 0 325.368 3.581 20 0 EHADRM CCC[C@@H](C)[C@@H]1CCCN1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000829208902 604685773 /nfs/dbraw/zinc/68/57/73/604685773.db2.gz PAKIAYVYXCMFDL-PBHICJAKSA-N -1 0 347.459 3.929 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(C)c(C)o2)cc1 ZINC000237351202 604685844 /nfs/dbraw/zinc/68/58/44/604685844.db2.gz BTSGICIDIHYWBL-CQSZACIVSA-N -1 0 333.409 3.564 20 0 EHADRM CCc1cc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])oc1CC ZINC000192870641 604703923 /nfs/dbraw/zinc/70/39/23/604703923.db2.gz LHEILDFFSAOJLA-PXAZEXFGSA-N -1 0 329.396 3.596 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)Cc1ccc(F)cc1Cl)c1ccccc1 ZINC000826031889 604704043 /nfs/dbraw/zinc/70/40/43/604704043.db2.gz WFCCNEFZUSXJJF-GTNSWQLSSA-N -1 0 349.789 3.600 20 0 EHADRM CCOc1ccc([C@H](C)Nc2cccc(C(=O)[O-])n2)cc1OCC ZINC000263522147 604708861 /nfs/dbraw/zinc/70/88/61/604708861.db2.gz RNSWDPXWJGXHOL-LBPRGKRZSA-N -1 0 330.384 3.750 20 0 EHADRM Cc1cc([C@H](C)Sc2nnnn2C2CCCCC2)oc1C(=O)[O-] ZINC000832874159 604709996 /nfs/dbraw/zinc/70/99/96/604709996.db2.gz MZPMLSDMBKZUOL-JTQLQIEISA-N -1 0 336.417 3.631 20 0 EHADRM CC(C)(CCNC(=O)CCc1ccccc1C(=O)[O-])c1ccccc1 ZINC000833457196 604721301 /nfs/dbraw/zinc/72/13/01/604721301.db2.gz TUKYESDDEQNIEC-UHFFFAOYSA-N -1 0 339.435 3.802 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)C1CCC(F)(F)CC1)C(=O)[O-] ZINC000190672162 604736223 /nfs/dbraw/zinc/73/62/23/604736223.db2.gz DBKUMUONABEPLP-CYBMUJFWSA-N -1 0 339.382 3.561 20 0 EHADRM C[C@H](SCc1ccc(C(=O)[O-])cc1F)C(=O)N(C)c1ccccc1 ZINC000833543530 604751857 /nfs/dbraw/zinc/75/18/57/604751857.db2.gz UPZPKFZJWBIULA-LBPRGKRZSA-N -1 0 347.411 3.809 20 0 EHADRM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC000263304170 604762105 /nfs/dbraw/zinc/76/21/05/604762105.db2.gz VJBIZLDYELSLMN-UGSOOPFHSA-N -1 0 341.382 3.676 20 0 EHADRM C[C@@H](Nc1ccc(CNC(=O)[O-])cc1)c1nc(-c2ccccc2)no1 ZINC000827768964 604769138 /nfs/dbraw/zinc/76/91/38/604769138.db2.gz YEORHUPLEQEGHS-GFCCVEGCSA-N -1 0 338.367 3.677 20 0 EHADRM CN(C(=O)[O-])c1ccc(NCc2nc3ccc(Cl)cc3n2C)cc1 ZINC000833685090 604775532 /nfs/dbraw/zinc/77/55/32/604775532.db2.gz DUGJKJJOBWXBGB-UHFFFAOYSA-N -1 0 344.802 3.953 20 0 EHADRM CC(C)(C)OC(=O)c1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000833445127 604794541 /nfs/dbraw/zinc/79/45/41/604794541.db2.gz XRDRLHJWYCEWHE-UHFFFAOYSA-N -1 0 341.363 3.592 20 0 EHADRM CC(C)=C[C@H]1[C@H](C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)C1(C)C ZINC000679098139 604810781 /nfs/dbraw/zinc/81/07/81/604810781.db2.gz QNWZUOVRFLOFMA-DLBZAZTESA-N -1 0 327.424 3.508 20 0 EHADRM CC(C)COc1cccc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000826905526 604811765 /nfs/dbraw/zinc/81/17/65/604811765.db2.gz MUVALENYTJEVJW-UHFFFAOYSA-N -1 0 331.343 3.811 20 0 EHADRM CCCOc1ccc([C@@H](C)NC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000829528330 604816450 /nfs/dbraw/zinc/81/64/50/604816450.db2.gz VBAKWNGDHOACSA-GFCCVEGCSA-N -1 0 345.370 3.804 20 0 EHADRM Cc1cnc(-c2cccc(NC(=O)c3ccc(C(=O)[O-])c(F)c3)c2)o1 ZINC000832985584 604821871 /nfs/dbraw/zinc/82/18/71/604821871.db2.gz USQDZFITJFGCDL-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC000832982267 604824524 /nfs/dbraw/zinc/82/45/24/604824524.db2.gz QVTBSMXYIWCIMZ-DZGCQCFKSA-N -1 0 341.382 3.851 20 0 EHADRM CC(C)c1ncc(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)s1 ZINC000827158832 604825742 /nfs/dbraw/zinc/82/57/42/604825742.db2.gz QZMDMXPKXNRJLM-UHFFFAOYSA-N -1 0 333.413 3.629 20 0 EHADRM CC(C)c1ncc(C(=O)N(CCC(=O)[O-])c2cccc(F)c2)s1 ZINC000827158538 604827231 /nfs/dbraw/zinc/82/72/31/604827231.db2.gz KTQNXFQODJHMGL-UHFFFAOYSA-N -1 0 336.388 3.527 20 0 EHADRM C[C@H](CSCc1ccccc1)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000827580822 604827625 /nfs/dbraw/zinc/82/76/25/604827625.db2.gz HCGVVXJJAAYLAX-OAHLLOKOSA-N -1 0 349.496 3.659 20 0 EHADRM CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC000191035527 604827837 /nfs/dbraw/zinc/82/78/37/604827837.db2.gz MFCMSASLARQPIA-UHFFFAOYSA-N -1 0 346.770 3.557 20 0 EHADRM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828149440 604827933 /nfs/dbraw/zinc/82/79/33/604827933.db2.gz IYFVCNRGRYNRQZ-SWLSCSKDSA-N -1 0 327.355 3.542 20 0 EHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000761392794 604835384 /nfs/dbraw/zinc/83/53/84/604835384.db2.gz PQQBHSHNRUUHML-QAAVPBIRSA-N -1 0 343.810 3.555 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C(C)C)cc2)cc1 ZINC000013187185 604840850 /nfs/dbraw/zinc/84/08/50/604840850.db2.gz AVAUWXRYNVPMFU-SFHVURJKSA-N -1 0 341.407 3.764 20 0 EHADRM Cc1cccc(-c2cncc(C(=O)OCc3ccc(C(=O)[O-])o3)c2)c1 ZINC000832960364 604848329 /nfs/dbraw/zinc/84/83/29/604848329.db2.gz GZQPXWPAFXUDNS-UHFFFAOYSA-N -1 0 337.331 3.705 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)/C=C\c1ccc(Cl)cc1)c1ccccc1 ZINC000320357068 604865780 /nfs/dbraw/zinc/86/57/80/604865780.db2.gz QUXSBZYKJSBYHP-JXMNSVBMSA-N -1 0 329.783 3.685 20 0 EHADRM C[C@H](CC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000540667054 604870418 /nfs/dbraw/zinc/87/04/18/604870418.db2.gz RVSVIISVGMXUDD-DIFFPNOSSA-N -1 0 349.789 3.915 20 0 EHADRM CCc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC000540666662 604872044 /nfs/dbraw/zinc/87/20/44/604872044.db2.gz NEWVTESOBLKKAL-OAHLLOKOSA-N -1 0 335.762 3.597 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)Nc2nc3ccccc3s2)C1 ZINC000325484235 604875919 /nfs/dbraw/zinc/87/59/19/604875919.db2.gz WSVLQTVPKQEPGU-LLVKDONJSA-N -1 0 347.440 3.651 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc2c(s1)CCCCC2)c1ccccc1 ZINC000013224427 604876586 /nfs/dbraw/zinc/87/65/86/604876586.db2.gz QYNDQXHDCMFGEC-HNNXBMFYSA-N -1 0 343.448 3.963 20 0 EHADRM CC(C)(C)SCCCC(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1 ZINC000833447883 604877181 /nfs/dbraw/zinc/87/71/81/604877181.db2.gz ZMSDBOIFDOBJON-UHFFFAOYSA-N -1 0 342.486 3.969 20 0 EHADRM C[C@@H](C(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F)c1ccco1 ZINC000833406037 604881538 /nfs/dbraw/zinc/88/15/38/604881538.db2.gz KNWBSUZJCSDTGU-NOZJJQNGSA-N -1 0 342.269 3.928 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C2(c3cccc(F)c3)CCC2)C1 ZINC000679105929 604886800 /nfs/dbraw/zinc/88/68/00/604886800.db2.gz MRCAXSJOSXLFFO-OAHLLOKOSA-N -1 0 347.430 3.597 20 0 EHADRM C[C@@]1(NC(=O)Cc2ccc(Cl)c(Cl)c2)CCCC[C@H]1C(=O)[O-] ZINC000262850944 604888618 /nfs/dbraw/zinc/88/86/18/604888618.db2.gz SHCCRZWBQROISH-MEDUHNTESA-N -1 0 344.238 3.686 20 0 EHADRM C[C@]1(NC(=O)c2ccc(Cl)cc2Cl)CCCC[C@@H]1C(=O)[O-] ZINC000262727667 604892304 /nfs/dbraw/zinc/89/23/04/604892304.db2.gz GVVYWKUFNAIJCH-ABAIWWIYSA-N -1 0 330.211 3.757 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)C2(c3ccccc3)CCCC2)C1 ZINC000326791807 604892780 /nfs/dbraw/zinc/89/27/80/604892780.db2.gz ACIQTJQLNLWAMX-KRWDZBQOSA-N -1 0 343.467 3.848 20 0 EHADRM CCCC(C)(C)NC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000829184328 604916022 /nfs/dbraw/zinc/91/60/22/604916022.db2.gz JDXYQWSIQGQTSR-UHFFFAOYSA-N -1 0 328.796 3.504 20 0 EHADRM CCCN(CC(C)C)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000829481830 604925453 /nfs/dbraw/zinc/92/54/53/604925453.db2.gz AVAYCFRIGVXAQA-UHFFFAOYSA-N -1 0 342.823 3.703 20 0 EHADRM CC(C)c1cc(N2Cc3ccc(C(=O)[O-])cc3C2)nc(C(C)C)n1 ZINC000833509940 604940490 /nfs/dbraw/zinc/94/04/90/604940490.db2.gz YEFRBMNNMIUJLF-UHFFFAOYSA-N -1 0 325.412 3.942 20 0 EHADRM C[C@]1(NC(=O)/C=C/c2ccc(Cl)s2)CCCC[C@@H]1C(=O)[O-] ZINC000762230971 604954587 /nfs/dbraw/zinc/95/45/87/604954587.db2.gz NCVDPYUHUDLVRD-LPIAKDFXSA-N -1 0 327.833 3.564 20 0 EHADRM C[C@]1(NC(=O)c2cncc(-c3ccccc3)c2)CCCC[C@@H]1C(=O)[O-] ZINC000833573831 604963149 /nfs/dbraw/zinc/96/31/49/604963149.db2.gz VTEKGOBSPWLWQQ-XLIONFOSSA-N -1 0 338.407 3.512 20 0 EHADRM C[C@]1(NC(=O)CCCc2c[nH]c3ccccc23)CCCC[C@@H]1C(=O)[O-] ZINC000262839514 604965469 /nfs/dbraw/zinc/96/54/69/604965469.db2.gz RYFCUEDAENVFOE-UZLBHIALSA-N -1 0 342.439 3.640 20 0 EHADRM C[C@H](CC(=O)N1C[C@@H](C)[C@@H]1c1ccccc1)C1CCN(C(=O)[O-])CC1 ZINC000824565044 604969728 /nfs/dbraw/zinc/96/97/28/604969728.db2.gz LAWLUOWUAXIVCE-SPYBWZPUSA-N -1 0 344.455 3.622 20 0 EHADRM CCOc1cccc2cc([C@@H](C)N[C@@H](C(=O)[O-])c3cccnc3)oc21 ZINC000830104301 604973362 /nfs/dbraw/zinc/97/33/62/604973362.db2.gz FEWFRXPMVZULJD-SJKOYZFVSA-N -1 0 340.379 3.703 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000326934711 604973611 /nfs/dbraw/zinc/97/36/11/604973611.db2.gz UMJDZOCUYKVKQH-WBVHZDCISA-N -1 0 344.455 3.596 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)N[C@H](c2ccccc2)C2CC2)C1 ZINC000833413683 604975589 /nfs/dbraw/zinc/97/55/89/604975589.db2.gz FBCROMRLRPFZSR-IAGOWNOFSA-N -1 0 344.455 3.670 20 0 EHADRM O=C([O-])CCc1csc(NC(=O)NCCCCC2CCCC2)n1 ZINC000833238843 604976351 /nfs/dbraw/zinc/97/63/51/604976351.db2.gz CJJQIGOCLJMMGI-UHFFFAOYSA-N -1 0 339.461 3.642 20 0 EHADRM C[C@H](NC(=O)[O-])C(=O)N(C)[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000825172643 604976533 /nfs/dbraw/zinc/97/65/33/604976533.db2.gz WMBGAYIRNNCMEQ-KBPBESRZSA-N -1 0 326.396 3.529 20 0 EHADRM CC(C)[C@H](OC(=O)CCCNC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000833473085 604977436 /nfs/dbraw/zinc/97/74/36/604977436.db2.gz PURBIGZIYRJCBD-AWEZNQCLSA-N -1 0 347.333 3.994 20 0 EHADRM C[C@@H]1CC[C@H](COC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)O1 ZINC000833601647 604983860 /nfs/dbraw/zinc/98/38/60/604983860.db2.gz CWTAFEZRRTZXAZ-PRHODGIISA-N -1 0 347.289 3.520 20 0 EHADRM CN(Cc1ccc(Cl)cc1Cl)[C@@H](C(=O)[O-])c1cccnc1 ZINC000830825466 604986313 /nfs/dbraw/zinc/98/63/13/604986313.db2.gz XTEYAIHBWKXIIK-CQSZACIVSA-N -1 0 325.195 3.646 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2c[nH]cc2-c2ccccc2)C1 ZINC000679105000 604993540 /nfs/dbraw/zinc/99/35/40/604993540.db2.gz ZTNFVRPVMULRHF-OAHLLOKOSA-N -1 0 340.423 3.645 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C1 ZINC000679103034 604996182 /nfs/dbraw/zinc/99/61/82/604996182.db2.gz NKASHSQUEYGXAW-GFCCVEGCSA-N -1 0 348.830 3.784 20 0 EHADRM CCc1nc(NC(=O)[C@H](CC)Oc2cccc(C)c2)sc1C(=O)[O-] ZINC000833674337 604996231 /nfs/dbraw/zinc/99/62/31/604996231.db2.gz PDMMEVDVPXWWKE-ZDUSSCGKSA-N -1 0 348.424 3.508 20 0 EHADRM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000833616698 605003594 /nfs/dbraw/zinc/00/35/94/605003594.db2.gz DVLZTVOTDULRNL-SCLBCKFNSA-N -1 0 338.407 3.508 20 0 EHADRM C[C@@H](OC(=O)c1ccccc1Cc1nc2ccccc2s1)C(=O)[O-] ZINC000737716081 605010532 /nfs/dbraw/zinc/01/05/32/605010532.db2.gz FVVAFBUTVYZEND-LLVKDONJSA-N -1 0 341.388 3.517 20 0 EHADRM Cc1nc(NC(=O)N2CCC[C@H]2CC(=O)[O-])sc1-c1ccccc1 ZINC000833002597 605012813 /nfs/dbraw/zinc/01/28/13/605012813.db2.gz BCPFPYPEDCHCQQ-ZDUSSCGKSA-N -1 0 345.424 3.590 20 0 EHADRM Cc1scc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)c1C ZINC000828138887 605013446 /nfs/dbraw/zinc/01/34/46/605013446.db2.gz PFJSNKPQSNOPSB-CQSZACIVSA-N -1 0 337.828 3.964 20 0 EHADRM C[C@H](C(=O)OCc1ccc(C(=O)[O-])s1)c1c(F)cccc1F ZINC000833408954 605036008 /nfs/dbraw/zinc/03/60/08/605036008.db2.gz GIPPOUMYMFLQDT-QMMMGPOBSA-N -1 0 326.320 3.571 20 0 EHADRM C[C@H](SC[C@H]1CC(C(=O)[O-])=NO1)c1ccc(OC(F)(F)F)cc1 ZINC000833544141 605042234 /nfs/dbraw/zinc/04/22/34/605042234.db2.gz YNNLEKFKCMEJBN-GZMMTYOYSA-N -1 0 349.330 3.609 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)Nc2cc(C(=O)[O-])c[nH]c2=O)cc1 ZINC000833509749 605043178 /nfs/dbraw/zinc/04/31/78/605043178.db2.gz FCOYRNHAXOVGCC-ONEGZZNKSA-N -1 0 340.379 3.651 20 0 EHADRM C[C@H](SCc1cccc(Br)c1OC(F)F)C(=O)[O-] ZINC000833542850 605058064 /nfs/dbraw/zinc/05/80/64/605058064.db2.gz LECRSUAUCOTISE-LURJTMIESA-N -1 0 341.173 3.757 20 0 EHADRM CC(C)(C)SCCCC(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1 ZINC000833446435 605058690 /nfs/dbraw/zinc/05/86/90/605058690.db2.gz AVIULNHTLNDYOA-UHFFFAOYSA-N -1 0 335.429 3.512 20 0 EHADRM CC(C)[C@H]1C[C@@H](CC(=O)Nc2cc(C(=O)[O-])ccc2Cl)CCO1 ZINC000833469813 605060931 /nfs/dbraw/zinc/06/09/31/605060931.db2.gz DCWOABFOTABPNB-XHDPSFHLSA-N -1 0 339.819 3.818 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000263296215 605063145 /nfs/dbraw/zinc/06/31/45/605063145.db2.gz YDHHREOZJQDDOA-OAJJDEHYSA-N -1 0 341.451 3.927 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000521747330 605063167 /nfs/dbraw/zinc/06/31/67/605063167.db2.gz YDHHREOZJQDDOA-DDKKJVIOSA-N -1 0 341.451 3.927 20 0 EHADRM CC(C)[C@H]1C[C@H](CC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)CCO1 ZINC000833471265 605073358 /nfs/dbraw/zinc/07/33/58/605073358.db2.gz NIBYBZGRZIKGCH-CZUORRHYSA-N -1 0 334.416 3.581 20 0 EHADRM CC(C)Cn1cc(C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])cn1 ZINC000833493127 605076928 /nfs/dbraw/zinc/07/69/28/605076928.db2.gz FPLGXEYGMNNYHG-UHFFFAOYSA-N -1 0 349.456 3.849 20 0 EHADRM CCCN(C(=O)C1CCC(C(=O)[O-])CC1)[C@@H](C)c1ccccc1OC ZINC000833651575 605085025 /nfs/dbraw/zinc/08/50/25/605085025.db2.gz QEQIPLAITXRJKF-FHERZECASA-N -1 0 347.455 3.886 20 0 EHADRM CC1(C)CC[C@H](C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)C1 ZINC000833556987 605085286 /nfs/dbraw/zinc/08/52/86/605085286.db2.gz CKLCNNPNXVNVTD-GWCFXTLKSA-N -1 0 327.783 3.547 20 0 EHADRM C[C@@H](OC(=O)CCc1ccc(C(=O)[O-])cc1)c1nc2ccccc2o1 ZINC000833530403 605090679 /nfs/dbraw/zinc/09/06/79/605090679.db2.gz SSMQSOFPNXCYER-GFCCVEGCSA-N -1 0 339.347 3.763 20 0 EHADRM CC(C)C[C@@H](C)NC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000833476088 605097076 /nfs/dbraw/zinc/09/70/76/605097076.db2.gz XYZSPHWZLPYZJF-RISCZKNCSA-N -1 0 326.824 3.590 20 0 EHADRM CCN(c1ccc(NC(=O)C2CCC(C(=O)[O-])CC2)cc1)C(C)C ZINC000833655015 605099278 /nfs/dbraw/zinc/09/92/78/605099278.db2.gz SQFVYFCLNDLCGW-UHFFFAOYSA-N -1 0 332.444 3.751 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1nc2cc(Cl)ccc2s1 ZINC000833456644 605104127 /nfs/dbraw/zinc/10/41/27/605104127.db2.gz SWAGDQBPOZFJCV-UHFFFAOYSA-N -1 0 326.805 3.779 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)N[C@@H](CC2CCCC2)c2ccccc2)C1 ZINC000263284751 605124312 /nfs/dbraw/zinc/12/43/12/605124312.db2.gz UJVZOBXFWVVDKQ-FXAWDEMLSA-N -1 0 344.455 3.814 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)N[C@H](CC2CCCC2)c2ccccc2)C1 ZINC000263284753 605124355 /nfs/dbraw/zinc/12/43/55/605124355.db2.gz UJVZOBXFWVVDKQ-XLIONFOSSA-N -1 0 344.455 3.814 20 0 EHADRM CCC(CC)n1nc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1C ZINC000761665924 605129992 /nfs/dbraw/zinc/12/99/92/605129992.db2.gz VQBWKKNRKYRNHB-UHFFFAOYSA-N -1 0 333.363 3.642 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)/C=C/c1ccc2[nH]ccc2c1 ZINC000833681182 605140887 /nfs/dbraw/zinc/14/08/87/605140887.db2.gz WIOLTSNAQNGNFF-GQCTYLIASA-N -1 0 339.347 3.778 20 0 EHADRM CC1(C)C[C@H]1C(=O)Nc1cc(Br)cc(C(=O)[O-])c1Cl ZINC000833556604 605142915 /nfs/dbraw/zinc/14/29/15/605142915.db2.gz DTHYYBRBCIVHNA-QMMMGPOBSA-N -1 0 346.608 3.785 20 0 EHADRM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2C(=O)/C=C\c1ccc(Cl)cc1 ZINC000832229216 605146263 /nfs/dbraw/zinc/14/62/63/605146263.db2.gz XGQGSJBUXOGICE-IXORQQOXSA-N -1 0 348.830 3.533 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)Nc2ncc(Cc3cccc(C(=O)[O-])c3)s2)C1 ZINC000833606796 605146438 /nfs/dbraw/zinc/14/64/38/605146438.db2.gz WABCTIQUDZGOLZ-WCQYABFASA-N -1 0 344.436 3.807 20 0 EHADRM CC1(C)CC[C@H]2C[C@@H](NC(=O)NCCCCC(=O)[O-])c3cccc1c32 ZINC000666540148 605146744 /nfs/dbraw/zinc/14/67/44/605146744.db2.gz HXWHAZYGPULQRX-XJKSGUPXSA-N -1 0 344.455 3.841 20 0 EHADRM Cc1c(C(=O)[O-])csc1NC(=O)c1cnn(CC(C)C)c1C1CC1 ZINC000833741957 605160242 /nfs/dbraw/zinc/16/02/42/605160242.db2.gz XQFLDNWRJHMKBQ-UHFFFAOYSA-N -1 0 347.440 3.737 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)OCc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000833607081 605164105 /nfs/dbraw/zinc/16/41/05/605164105.db2.gz YXSFNDQVPLUMHP-BXUZGUMPSA-N -1 0 345.420 3.988 20 0 EHADRM CCC(CC)n1nc(C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)cc1C ZINC000833641518 605165458 /nfs/dbraw/zinc/16/54/58/605165458.db2.gz DEDVAFOVPGCUPJ-INIZCTEOSA-N -1 0 348.374 3.674 20 0 EHADRM CC1(c2ccccc2)CCN(C(=O)c2ccccc2NC(=O)[O-])CC1 ZINC000833572266 605165615 /nfs/dbraw/zinc/16/56/15/605165615.db2.gz ANXMHIGXCOFHKY-UHFFFAOYSA-N -1 0 338.407 3.970 20 0 EHADRM CCC(CC)n1nc(C(=O)OCc2ccc(C(=O)[O-])cc2)cc1C ZINC000833641574 605165904 /nfs/dbraw/zinc/16/59/04/605165904.db2.gz GOPUDGNNBJBYES-UHFFFAOYSA-N -1 0 330.384 3.608 20 0 EHADRM CC(C)C[C@@H](NC(=O)Nc1cncc(C(=O)[O-])c1)c1cccs1 ZINC000833479555 605169085 /nfs/dbraw/zinc/16/90/85/605169085.db2.gz CTXCDCBUWBNLMG-CYBMUJFWSA-N -1 0 333.413 3.750 20 0 EHADRM CC(C)(CCC(=O)N[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000431463996 605192800 /nfs/dbraw/zinc/19/28/00/605192800.db2.gz KAAVLPQAOJYREW-GOSISDBHSA-N -1 0 325.408 3.687 20 0 EHADRM O=C([O-])c1cccc(CNc2ccccc2C(=O)N2CCCCC2)c1 ZINC000833783446 605199979 /nfs/dbraw/zinc/19/99/79/605199979.db2.gz GTMMSEAYNAJIPZ-UHFFFAOYSA-N -1 0 338.407 3.623 20 0 EHADRM CC[C@@H](C)Oc1cc(C(=O)Nc2scc(C(=O)[O-])c2C)ccn1 ZINC000833641276 605221254 /nfs/dbraw/zinc/22/12/54/605221254.db2.gz SQYSALNLBXGDMO-SECBINFHSA-N -1 0 334.397 3.579 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)c1ccc2ccc(Cl)cc2n1)C(=O)[O-] ZINC000833430445 605234080 /nfs/dbraw/zinc/23/40/80/605234080.db2.gz WPSGUBNKLQHLHY-AWEZNQCLSA-N -1 0 335.787 3.934 20 0 EHADRM C[C@@H](Oc1ccc(CNc2ccc3c(c2)CC(C)(C)O3)cc1)C(=O)[O-] ZINC000833538796 605237113 /nfs/dbraw/zinc/23/71/13/605237113.db2.gz IJKGNFUEVITAEV-CYBMUJFWSA-N -1 0 341.407 3.864 20 0 EHADRM CC(C)C[C@@H]1C[C@@H](NC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)CCO1 ZINC000833484253 605239494 /nfs/dbraw/zinc/23/94/94/605239494.db2.gz UREUXOOIKGXRLA-GOEBONIOSA-N -1 0 349.431 3.516 20 0 EHADRM CCCC(=O)Nc1cccc(NC[C@@H]2CCCN(C(=O)[O-])C2)c1C ZINC000826706013 605240548 /nfs/dbraw/zinc/24/05/48/605240548.db2.gz LBQZUITUJMDZLK-AWEZNQCLSA-N -1 0 333.432 3.536 20 0 EHADRM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Cc2ccccc2C(=O)[O-])C1 ZINC000263285684 605251661 /nfs/dbraw/zinc/25/16/61/605251661.db2.gz PNADKULBBNHFDV-UGSOOPFHSA-N -1 0 341.382 3.676 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H](Oc2ccccc2)c2ccccc2)cn1 ZINC000833782135 605254394 /nfs/dbraw/zinc/25/43/94/605254394.db2.gz AWQBCUJDQIASNI-GOSISDBHSA-N -1 0 348.358 3.539 20 0 EHADRM CC(C)[C@H](Sc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC000833470406 605256386 /nfs/dbraw/zinc/25/63/86/605256386.db2.gz KCYHBWKUGKYLEO-HNNXBMFYSA-N -1 0 330.409 3.535 20 0 EHADRM CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)CC(C)(C)CC(=O)[O-] ZINC000833693127 605257735 /nfs/dbraw/zinc/25/77/35/605257735.db2.gz LUAYBQSFZJWDSQ-QFBILLFUSA-N -1 0 347.455 3.504 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000192984324 605264948 /nfs/dbraw/zinc/26/49/48/605264948.db2.gz UIRKXADZCOLQJV-UHFFFAOYSA-N -1 0 344.238 3.769 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)c1cccc(NC(=O)[O-])c1)C(F)(F)F ZINC000833425003 605294777 /nfs/dbraw/zinc/29/47/77/605294777.db2.gz UBNPRJMGPPBNEI-LLVKDONJSA-N -1 0 332.322 3.873 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)CCCc1ccsc1)c1ccccc1 ZINC000833413303 605298546 /nfs/dbraw/zinc/29/85/46/605298546.db2.gz ZCIDTEKBLWKPIJ-CXAGYDPISA-N -1 0 331.437 3.649 20 0 EHADRM C[C@H](CC(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000833514375 605308877 /nfs/dbraw/zinc/30/88/77/605308877.db2.gz RVIXTJCJOXXYFR-QMTHXVAHSA-N -1 0 343.345 3.774 20 0 EHADRM COCCC[C@H](C)C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000833725472 605314897 /nfs/dbraw/zinc/31/48/97/605314897.db2.gz ZDSYCUGDXRBVPQ-ZANVPECISA-N -1 0 349.210 3.725 20 0 EHADRM C[C@H](Cc1noc(Cc2cc(Cl)ccc2Cl)n1)N(C)C(=O)[O-] ZINC000825047645 605331252 /nfs/dbraw/zinc/33/12/52/605331252.db2.gz ILOXZAZAPKUVPD-MRVPVSSYSA-N -1 0 344.198 3.508 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cccc([C@H]3CCCOC3)c2)cc1 ZINC000834261603 605349767 /nfs/dbraw/zinc/34/97/67/605349767.db2.gz HDEWAUFPVAYSLZ-HNNXBMFYSA-N -1 0 340.379 3.923 20 0 EHADRM O=C([O-])NC1CCN(c2nc(-c3ccccc3Cl)cs2)CC1 ZINC000834190750 605350896 /nfs/dbraw/zinc/35/08/96/605350896.db2.gz ZUDAUPOUDNGKAS-UHFFFAOYSA-N -1 0 337.832 3.700 20 0 EHADRM CC(C)(C)OC(=O)CCCCN1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000833434476 605382558 /nfs/dbraw/zinc/38/25/58/605382558.db2.gz WXBRKIHVBIWCQF-OAHLLOKOSA-N -1 0 333.428 3.577 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)[C@@H]2CCCc3sccc32)c1 ZINC000832724896 605382825 /nfs/dbraw/zinc/38/28/25/605382825.db2.gz RNCDJGKJUSJYKC-CQSZACIVSA-N -1 0 330.409 3.574 20 0 EHADRM CCc1cnccc1[C@@H](C)N[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833675512 605392194 /nfs/dbraw/zinc/39/21/94/605392194.db2.gz ZBWRCHMRVQHRLN-HWPZZCPQSA-N -1 0 336.794 3.913 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N[C@H]2CCCOc3c(F)cccc32)c1 ZINC000834263100 605405248 /nfs/dbraw/zinc/40/52/48/605405248.db2.gz PUQYKAGOFNEEBQ-HNNXBMFYSA-N -1 0 344.342 3.559 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)Nc2cncc(Cl)c2Cl)c1 ZINC000834266578 605408693 /nfs/dbraw/zinc/40/86/93/605408693.db2.gz PAAQUWRDAKSEHJ-UHFFFAOYSA-N -1 0 340.166 3.660 20 0 EHADRM CCc1[nH]c(C(=O)N2CC[C@H](c3ccc(C)cc3)C2)c(C)c1C(=O)[O-] ZINC000833668667 605431955 /nfs/dbraw/zinc/43/19/55/605431955.db2.gz WUWWWVZGDDRGPL-HNNXBMFYSA-N -1 0 340.423 3.522 20 0 EHADRM Cc1ccc(C(=O)N2CCc3ccc(F)c(F)c3C2)cc1NC(=O)[O-] ZINC000830198833 605437349 /nfs/dbraw/zinc/43/73/49/605437349.db2.gz PIGLGCZUQBCTFA-UHFFFAOYSA-N -1 0 346.333 3.562 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N1CC[C@@H](C(C)(C)C)C1)C(=O)[O-] ZINC000833546670 605440210 /nfs/dbraw/zinc/44/02/10/605440210.db2.gz UCHGHCOBPKMNFB-CHWSQXEVSA-N -1 0 335.469 3.760 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000833660297 605453983 /nfs/dbraw/zinc/45/39/83/605453983.db2.gz IGCXJKPUODDOPS-UHFFFAOYSA-N -1 0 337.734 3.828 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)c3nc(Cl)ccc3F)ccc21 ZINC000834054518 605459762 /nfs/dbraw/zinc/45/97/62/605459762.db2.gz UDISUUHEVDOLOD-UHFFFAOYSA-N -1 0 349.749 3.557 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)Nc2nc(CCCC(=O)[O-])cs2)cc1 ZINC000833748058 605462136 /nfs/dbraw/zinc/46/21/36/605462136.db2.gz BTGLTEURKCXIES-ZDUSSCGKSA-N -1 0 346.452 3.676 20 0 EHADRM C[C@H](CSCc1ccccc1)c1nc([C@@H](C)CN(C)C(=O)[O-])no1 ZINC000824902480 605475492 /nfs/dbraw/zinc/47/54/92/605475492.db2.gz MNOASPKFHWPWJT-QWHCGFSZSA-N -1 0 349.456 3.820 20 0 EHADRM O=C([O-])N1CC[C@@H](CCC(=O)N2CCCC[C@H]2c2ccc(F)cc2)C1 ZINC000834073029 605495729 /nfs/dbraw/zinc/49/57/29/605495729.db2.gz BRCLUCNRBYVESQ-PBHICJAKSA-N -1 0 348.418 3.659 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N2CCc3cc(F)ccc3C2)cc1 ZINC000834262592 605533238 /nfs/dbraw/zinc/53/32/38/605533238.db2.gz MBVRITBPWOJIHD-UHFFFAOYSA-N -1 0 329.331 3.506 20 0 EHADRM O=C([O-])N1CCC2(C[C@H]2C(=O)Nc2csc3ccccc23)CC1 ZINC000834059322 605539540 /nfs/dbraw/zinc/53/95/40/605539540.db2.gz USHHWVGEQMRLDE-LBPRGKRZSA-N -1 0 330.409 3.620 20 0 EHADRM O=C([O-])N[C@H](CC(=O)Nc1ccc(F)cc1Cl)c1ccccc1 ZINC000832104760 605566251 /nfs/dbraw/zinc/56/62/51/605566251.db2.gz INMDRHWAPOYAJH-CQSZACIVSA-N -1 0 336.750 3.817 20 0 EHADRM C[C@H](c1ccccc1)N(C)C(=O)C[C@@H](NC(=O)[O-])c1ccccc1 ZINC000825638666 605570476 /nfs/dbraw/zinc/57/04/76/605570476.db2.gz OCHVLOBYECCIPK-RHSMWYFYSA-N -1 0 326.396 3.605 20 0 EHADRM CSc1ccc(NC(=O)C[C@@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000829766057 605571529 /nfs/dbraw/zinc/57/15/29/605571529.db2.gz CIRGBESGWLEDIQ-OAHLLOKOSA-N -1 0 330.409 3.746 20 0 EHADRM Cc1cc2cc(NC(=O)C[C@@H](NC(=O)[O-])c3ccccc3)ccc2[nH]1 ZINC000830144135 605582051 /nfs/dbraw/zinc/58/20/51/605582051.db2.gz SDUMCRJVRHCIBR-QGZVFWFLSA-N -1 0 337.379 3.814 20 0 EHADRM CC[C@H](NC(=O)c1ccc(NC(=O)[O-])c(C)c1)c1ccccc1OC ZINC000826612952 605611377 /nfs/dbraw/zinc/61/13/77/605611377.db2.gz DEMPKJGNHWWDAN-HNNXBMFYSA-N -1 0 342.395 3.975 20 0 EHADRM COc1ccc(Cl)cc1CNC(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000829403807 605623007 /nfs/dbraw/zinc/62/30/07/605623007.db2.gz DQDRYASGXUWGNC-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM C[C@H]1C[C@@H](C(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)CC(C)(C)C1 ZINC000649253347 605623364 /nfs/dbraw/zinc/62/33/64/605623364.db2.gz FNEXGJZMZSZJAK-GXTWGEPZSA-N -1 0 344.455 3.736 20 0 EHADRM CC[C@H](C)[C@@H](C)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000262806066 605625260 /nfs/dbraw/zinc/62/52/60/605625260.db2.gz SKJWFWHXWAGGBU-QWHCGFSZSA-N -1 0 329.396 3.924 20 0 EHADRM Cc1nc(C(C)C)sc1[C@H](C)OC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000833912891 605667363 /nfs/dbraw/zinc/66/73/63/605667363.db2.gz QYUPQCITKNHZSL-SDDRHHMPSA-N -1 0 340.445 3.615 20 0 EHADRM CCC[C@@H](NC(=O)c1ccc(NC(=O)[O-])c(C)c1)c1ccccn1 ZINC000826765654 605677870 /nfs/dbraw/zinc/67/78/70/605677870.db2.gz TWXDYITXEQFDAA-MRXNPFEDSA-N -1 0 327.384 3.751 20 0 EHADRM CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2NC(=O)[O-])c1 ZINC000823603973 605696261 /nfs/dbraw/zinc/69/62/61/605696261.db2.gz MICFJVKYGDUCDR-UHFFFAOYSA-N -1 0 347.758 3.641 20 0 EHADRM Cc1cc(C(=O)NC2(c3cccc(F)c3)CC2)ccc1NC(=O)[O-] ZINC000829941697 605697766 /nfs/dbraw/zinc/69/77/66/605697766.db2.gz XTHRYTREXQCRKA-UHFFFAOYSA-N -1 0 328.343 3.643 20 0 EHADRM CCS[C@@H]1CCC[C@@H](NC(=O)c2ccc(NC(=O)[O-])c(C)c2)C1 ZINC000827495300 605707736 /nfs/dbraw/zinc/70/77/36/605707736.db2.gz IMBFSQODPAMVSO-ZIAGYGMSSA-N -1 0 336.457 3.879 20 0 EHADRM CC(C)CO[C@@H](C)C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833489776 605713611 /nfs/dbraw/zinc/71/36/11/605713611.db2.gz KDISRLUKWHMGOW-ZANVPECISA-N -1 0 349.210 3.723 20 0 EHADRM O=C([O-])N1CCCCC[C@@H]1c1noc([C@@H]2CCOc3ccccc32)n1 ZINC000834110058 605721782 /nfs/dbraw/zinc/72/17/82/605721782.db2.gz VYESCJYQHJONSL-ZIAGYGMSSA-N -1 0 343.383 3.579 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N2CCC[C@@H]2c2cccs2)c1 ZINC000834265862 605757562 /nfs/dbraw/zinc/75/75/62/605757562.db2.gz SCIZUAMGNPUUBS-CQSZACIVSA-N -1 0 330.409 3.744 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)Nc2ccccc2OC(F)F)c1 ZINC000834266920 605757862 /nfs/dbraw/zinc/75/78/62/605757862.db2.gz WZKKEXQEJGGSHN-UHFFFAOYSA-N -1 0 336.294 3.559 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N2CCC[C@@H]2c2cccc(F)c2)c1 ZINC000834265111 605761811 /nfs/dbraw/zinc/76/18/11/605761811.db2.gz MFZBWBMXXDCHEA-QGZVFWFLSA-N -1 0 342.370 3.822 20 0 EHADRM Cc1ccc(C(=O)N2C[C@@H](C(F)(F)F)CC[C@@H]2C)cc1NC(=O)[O-] ZINC000833902964 605769903 /nfs/dbraw/zinc/76/99/03/605769903.db2.gz URNFNXXEFCHLLN-JQWIXIFHSA-N -1 0 344.333 3.888 20 0 EHADRM C[C@H]1CCC[C@H](OCc2cccc(NC(=O)CCCC(=O)[O-])c2)C1 ZINC000753975885 605779029 /nfs/dbraw/zinc/77/90/29/605779029.db2.gz HIXNPMPSLWUIHJ-YOEHRIQHSA-N -1 0 333.428 3.975 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC000833545138 605797265 /nfs/dbraw/zinc/79/72/65/605797265.db2.gz DSCKHHCOXXEXGM-GFCCVEGCSA-N -1 0 348.395 3.680 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c(F)c1 ZINC000833775905 605800531 /nfs/dbraw/zinc/80/05/31/605800531.db2.gz BTKXTCGYYXQBBJ-QWRGUYRKSA-N -1 0 348.292 3.727 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)[C@@H]2CCSc3ccccc32)c(F)c1 ZINC000833775869 605804313 /nfs/dbraw/zinc/80/43/13/605804313.db2.gz ABBRMTFONGMXRJ-CYBMUJFWSA-N -1 0 346.379 3.638 20 0 EHADRM Cc1cc(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)ccc1NC(=O)[O-] ZINC000829966298 605809708 /nfs/dbraw/zinc/80/97/08/605809708.db2.gz XPYLCPIHHCLPBI-UHFFFAOYSA-N -1 0 342.351 3.845 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N2CCCc3ccc(F)c(F)c32)c1 ZINC000834266243 605818767 /nfs/dbraw/zinc/81/87/67/605818767.db2.gz XVTPECAMMNTJPQ-UHFFFAOYSA-N -1 0 346.333 3.577 20 0 EHADRM O=C([O-])c1ccc(F)c(COC(=O)[C@@H]2CCCc3sccc32)c1 ZINC000833781251 605819193 /nfs/dbraw/zinc/81/91/93/605819193.db2.gz XAACGYJOUVQQMD-CYBMUJFWSA-N -1 0 334.368 3.749 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)OCc1nc(C(F)(F)F)cs1 ZINC000834270118 605856322 /nfs/dbraw/zinc/85/63/22/605856322.db2.gz XZVJYNCTZZCWNO-UHFFFAOYSA-N -1 0 346.286 3.609 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)OCc2cnoc2C2CC2)c(Cl)c1 ZINC000834256531 605890771 /nfs/dbraw/zinc/89/07/71/605890771.db2.gz PSWUFRCGVCZEGT-UHFFFAOYSA-N -1 0 336.731 3.652 20 0 EHADRM Cc1nc([C@H](C)N2CC[C@H](NC(=O)[O-])C2)oc1-c1ccc(Cl)cc1 ZINC000830709839 605917181 /nfs/dbraw/zinc/91/71/81/605917181.db2.gz UDBZSHPNFYNJDX-FZMZJTMJSA-N -1 0 349.818 3.706 20 0 EHADRM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000833929773 605993719 /nfs/dbraw/zinc/99/37/19/605993719.db2.gz NUONZXJUBRQNNR-QMMMGPOBSA-N -1 0 335.335 3.653 20 0 EHADRM O=C([O-])N[C@H](CC(F)F)C(=O)Oc1ccc2oc3ccccc3c2c1 ZINC000834139116 606003505 /nfs/dbraw/zinc/00/35/05/606003505.db2.gz YSTDTUYJBKYLJO-GFCCVEGCSA-N -1 0 349.289 3.783 20 0 EHADRM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1sccc1C1CC1 ZINC000834161998 606004769 /nfs/dbraw/zinc/00/47/69/606004769.db2.gz LLSVBPPEBJOYEU-DOOHLRMFSA-N -1 0 348.468 3.570 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)c1ccc(-n2ccnc2)cc1 ZINC000833906684 606005814 /nfs/dbraw/zinc/00/58/14/606005814.db2.gz XFXKKSCIZWOBRQ-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM O=C([O-])N[C@H](CC(F)F)C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000834132785 606007765 /nfs/dbraw/zinc/00/77/65/606007765.db2.gz GGAJSTCSJLXCRV-CQSZACIVSA-N -1 0 349.337 3.660 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCCc1ccc(F)cc1 ZINC000833907037 606012976 /nfs/dbraw/zinc/01/29/76/606012976.db2.gz WVEGTUHWPVXRGN-UHFFFAOYSA-N -1 0 331.347 3.588 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)NC1(c2ccc(F)cc2)CCC1 ZINC000834271416 606052484 /nfs/dbraw/zinc/05/24/84/606052484.db2.gz JOAVQBRAKCNYNS-UHFFFAOYSA-N -1 0 342.370 3.654 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)NC1(c2cccc(Cl)c2)CC1 ZINC000834270734 606064559 /nfs/dbraw/zinc/06/45/59/606064559.db2.gz AHDISBNQUHXQFA-UHFFFAOYSA-N -1 0 344.798 3.778 20 0 EHADRM CC(C)CSCCNC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000833795748 606087387 /nfs/dbraw/zinc/08/73/87/606087387.db2.gz UZVKKVFQSXACTE-LBPRGKRZSA-N -1 0 339.461 3.526 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N[C@@H]2CCCOc3cc(F)ccc32)c1 ZINC000834264121 606094518 /nfs/dbraw/zinc/09/45/18/606094518.db2.gz ZVGBGWCCEOIRSL-OAHLLOKOSA-N -1 0 344.342 3.559 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc2[nH]ccc2c1)c1ccc(Cl)c(F)c1 ZINC000181890773 939033334 /nfs/dbraw/zinc/03/33/34/939033334.db2.gz GVSRNUMKWDKHOF-HNNXBMFYSA-N -1 0 346.745 3.516 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc2cc[nH]c2c1)c1ccc(Cl)c(F)c1 ZINC000181904880 939034164 /nfs/dbraw/zinc/03/41/64/939034164.db2.gz SNZMPMHEUGLZOZ-HNNXBMFYSA-N -1 0 346.745 3.516 20 0 EHADRM C[C@@](NC(=O)CCCc1ccc2ccccc2c1)(C(=O)[O-])C1CC1 ZINC000191067251 939035740 /nfs/dbraw/zinc/03/57/40/939035740.db2.gz USUZIILLHVQNHT-FQEVSTJZSA-N -1 0 325.408 3.532 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)s1 ZINC000191475442 939037289 /nfs/dbraw/zinc/03/72/89/939037289.db2.gz YQPJLLOWFDBXSZ-MRXNPFEDSA-N -1 0 325.389 3.765 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1ccc(Cl)c(F)c1)c1ccccc1F ZINC000684744746 939046285 /nfs/dbraw/zinc/04/62/85/939046285.db2.gz MICFIQYZVJMIEB-CYBMUJFWSA-N -1 0 340.713 3.566 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000237539243 939046852 /nfs/dbraw/zinc/04/68/52/939046852.db2.gz OKVSZTPIFSKQKA-NHYWBVRUSA-N -1 0 349.839 3.763 20 0 EHADRM CC[C@](NC(=O)c1oc(C)cc1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000262667997 939064660 /nfs/dbraw/zinc/06/46/60/939064660.db2.gz PSVPKLQJIUCQCC-QGZVFWFLSA-N -1 0 335.787 3.670 20 0 EHADRM COc1ccc2oc(C)c(C(=O)NC3(C(=O)[O-])CCCCCC3)c2c1 ZINC000762024589 939070768 /nfs/dbraw/zinc/07/07/68/939070768.db2.gz LWKLSEJXTVLIQJ-UHFFFAOYSA-N -1 0 345.395 3.657 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1scnc1Cl)c1ccc2ccccc2c1 ZINC000762210531 939071929 /nfs/dbraw/zinc/07/19/29/939071929.db2.gz MHRKRSYXQNUFNH-LBPRGKRZSA-N -1 0 346.795 3.505 20 0 EHADRM O=C([O-])C1(NC(=O)c2cc(C3CC3)nc3ccc(Cl)cc32)CCC1 ZINC000263025268 939093552 /nfs/dbraw/zinc/09/35/52/939093552.db2.gz YVCZAPPMPAYVII-UHFFFAOYSA-N -1 0 344.798 3.503 20 0 EHADRM C[C@](NC(=O)[C@H]1CC=CCC1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000263044263 939095570 /nfs/dbraw/zinc/09/55/70/939095570.db2.gz PLHMDDANKUQYJW-MGPLVRAMSA-N -1 0 342.222 3.766 20 0 EHADRM COc1ccc([C@H](NC(=O)CC2CCCCC2)C(=O)[O-])cc1Cl ZINC000263155287 939104713 /nfs/dbraw/zinc/10/47/13/939104713.db2.gz VBERJWWUZGCUCS-INIZCTEOSA-N -1 0 339.819 3.561 20 0 EHADRM COc1ccc([C@H](NC(=O)CC[C@@H](C)c2ccccc2)C(=O)[O-])cc1 ZINC000263537407 939115082 /nfs/dbraw/zinc/11/50/82/939115082.db2.gz PGISORZBNXNDGL-KUHUBIRLSA-N -1 0 341.407 3.521 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1ccc(F)c(Cl)c1)C1CCCCC1 ZINC000316693266 939122103 /nfs/dbraw/zinc/12/21/03/939122103.db2.gz XFBOTYIRMMYTAV-ZDUSSCGKSA-N -1 0 328.771 3.634 20 0 EHADRM Cc1cc(OC(C)C)ccc1NC(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC000780451634 939123444 /nfs/dbraw/zinc/12/34/44/939123444.db2.gz PQSOIPPCFQAVRR-KRWDZBQOSA-N -1 0 348.443 3.937 20 0 EHADRM O=C([O-])[C@@H](NC(=O)C1CCC(C(F)(F)F)CC1)C1CCCCC1 ZINC000321936799 939124169 /nfs/dbraw/zinc/12/41/69/939124169.db2.gz TWSJRAHYXDKKJA-BPCQOVAHSA-N -1 0 335.366 3.505 20 0 EHADRM Cc1ccc(SCCC(=O)N[C@H](C(=O)[O-])c2cccs2)cc1C ZINC000322912239 939125028 /nfs/dbraw/zinc/12/50/28/939125028.db2.gz JSGXXKDSZIJRRN-INIZCTEOSA-N -1 0 349.477 3.789 20 0 EHADRM C[C@@](NC(=O)Nc1cccc(C(F)F)c1)(C(=O)[O-])c1ccccc1 ZINC000386246247 939132738 /nfs/dbraw/zinc/13/27/38/939132738.db2.gz QFTDTAVEQUHVBE-KRWDZBQOSA-N -1 0 334.322 3.746 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)N[C@@H](C(=O)[O-])c2cccs2)c(C)s1 ZINC000388645850 939133534 /nfs/dbraw/zinc/13/35/34/939133534.db2.gz RCXPMWHSWRGVMX-NOZJJQNGSA-N -1 0 338.454 3.613 20 0 EHADRM Cc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)c1C ZINC000788319059 939149292 /nfs/dbraw/zinc/14/92/92/939149292.db2.gz SXXMQVVXUIKBRD-OAHLLOKOSA-N -1 0 334.322 3.529 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2ccc(SC(F)F)cc2)CCCC1 ZINC000797733974 939196830 /nfs/dbraw/zinc/19/68/30/939196830.db2.gz MPLSUOFCJBCMFC-UHFFFAOYSA-N -1 0 330.356 3.520 20 0 EHADRM CSCc1cccc(NC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000797743777 939206072 /nfs/dbraw/zinc/20/60/72/939206072.db2.gz OIENLFKRHWHYLL-GOSISDBHSA-N -1 0 344.436 3.671 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC000448998539 939206720 /nfs/dbraw/zinc/20/67/20/939206720.db2.gz WEXSCAMWCFNYSH-SJKOYZFVSA-N -1 0 347.436 3.583 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CCC(F)(F)F)c1ccc(Cl)cc1Cl ZINC000449005351 939207296 /nfs/dbraw/zinc/20/72/96/939207296.db2.gz UVWKCRVJJQYBIV-JTQLQIEISA-N -1 0 344.116 3.578 20 0 EHADRM CC[C@@](NC(=O)c1ccccc1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507275778 939231109 /nfs/dbraw/zinc/23/11/09/939231109.db2.gz CPDAZTIPRIPCIO-SFHVURJKSA-N -1 0 331.799 3.768 20 0 EHADRM CC[C@](NC(=O)[C@H](C)c1ccccc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507281383 939231630 /nfs/dbraw/zinc/23/16/30/939231630.db2.gz PYLVLPVIYKRBSA-BFUOFWGJSA-N -1 0 345.826 3.950 20 0 EHADRM CC[C@](NC(=O)c1ccc(C)cc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507296140 939231924 /nfs/dbraw/zinc/23/19/24/939231924.db2.gz SKHKOCCEMGNLRS-GOSISDBHSA-N -1 0 331.799 3.768 20 0 EHADRM C[C@@H](CCc1ccc(F)cc1)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000864114852 939246534 /nfs/dbraw/zinc/24/65/34/939246534.db2.gz FQPJUIHPGLUMLS-XOBRGWDASA-N -1 0 343.398 3.511 20 0 EHADRM CCc1cccc(NC(=O)N[C@@](CC)(C(=O)[O-])c2ccccc2)c1 ZINC000517666647 939249096 /nfs/dbraw/zinc/24/90/96/939249096.db2.gz SPYDXIGKTSPWTF-LJQANCHMSA-N -1 0 326.396 3.761 20 0 EHADRM CN(C(=O)N[C@H](C(=O)[O-])c1c(Cl)cccc1Cl)C1CCCC1 ZINC000548876591 939296114 /nfs/dbraw/zinc/29/61/14/939296114.db2.gz LQEDUHUXDUUOJQ-ZDUSSCGKSA-N -1 0 345.226 3.703 20 0 EHADRM C[C@@](NC(=O)c1cc(C2CC2)oc1C1CC1)(C(=O)[O-])c1ccccc1 ZINC000907577160 939299915 /nfs/dbraw/zinc/29/99/15/939299915.db2.gz QIHMUVMDPNLWJX-FQEVSTJZSA-N -1 0 339.391 3.764 20 0 EHADRM CCO[C@H]1C[C@@](NC(=O)Nc2cccc(C(C)C)c2)(C(=O)[O-])C1(C)C ZINC000555852985 939307224 /nfs/dbraw/zinc/30/72/24/939307224.db2.gz QJVOZHLKBHFUIR-HNAYVOBHSA-N -1 0 348.443 3.590 20 0 EHADRM Cc1ccc(NC(=O)NC2(C(=O)[O-])CCCCC2)cc1-c1ncco1 ZINC000559587843 939317729 /nfs/dbraw/zinc/31/77/29/939317729.db2.gz ZCAIBIRKXUXEPC-UHFFFAOYSA-N -1 0 343.383 3.559 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2cccc3ccccc32)Cc2ccccc2C1 ZINC000569067313 939372396 /nfs/dbraw/zinc/37/23/96/939372396.db2.gz XPTHMBIUSCVLDM-UHFFFAOYSA-N -1 0 346.386 3.584 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1cccc(C(F)(F)F)c1)c1ccsc1 ZINC000572099397 939396762 /nfs/dbraw/zinc/39/67/62/939396762.db2.gz MHDUKQWMLVYBQB-NSHDSACASA-N -1 0 344.314 3.714 20 0 EHADRM C[C@H](NC(=O)NC1(C(=O)[O-])CCCCC1)c1cccc2ccccc21 ZINC000572149240 939397218 /nfs/dbraw/zinc/39/72/18/939397218.db2.gz GWNDCJZVHBMXNH-AWEZNQCLSA-N -1 0 340.423 3.988 20 0 EHADRM CC(C)Oc1ccc([C@H](C)NC(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC000572510994 939399567 /nfs/dbraw/zinc/39/95/67/939399567.db2.gz WVXSVJOMGXUXCV-AWEZNQCLSA-N -1 0 348.443 3.622 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)N[C@H](C(=O)[O-])c1ccsc1 ZINC000572857101 939402909 /nfs/dbraw/zinc/40/29/09/939402909.db2.gz NLRPZMZUEPMBCW-KBPBESRZSA-N -1 0 335.450 3.561 20 0 EHADRM CO[C@@H]1CCC[C@H]([C@@H](NC(=O)CCCC2CCCCC2)C(=O)[O-])C1 ZINC000573862187 939721982 /nfs/dbraw/zinc/72/19/82/939721982.db2.gz DSFUYHXZKKWARC-LZLYRXPVSA-N -1 0 339.476 3.512 20 0 EHADRM CC[C@@](NC(=O)Nc1ccc(F)c(C)c1)(C(=O)[O-])c1ccccc1 ZINC000574829927 939729694 /nfs/dbraw/zinc/72/96/94/939729694.db2.gz LXPPGUWZXSAJQK-SFHVURJKSA-N -1 0 330.359 3.646 20 0 EHADRM CC1(C)C[C@H](NC(=O)N[C@@H](C(=O)[O-])c2ccsc2)c2ccccc21 ZINC000576063438 939736468 /nfs/dbraw/zinc/73/64/68/939736468.db2.gz UBDHWICFHQPMSN-LSDHHAIUSA-N -1 0 344.436 3.596 20 0 EHADRM Cc1ccc(F)c(NC(=O)N[C@H](C(=O)[O-])c2cccc(C)c2C)c1 ZINC000576927518 939742932 /nfs/dbraw/zinc/74/29/32/939742932.db2.gz GJORSRIEYZZAGL-INIZCTEOSA-N -1 0 330.359 3.698 20 0 EHADRM Cc1cc(C)cc(NC(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2C)c1 ZINC000578708942 939756209 /nfs/dbraw/zinc/75/62/09/939756209.db2.gz PUJALYHMJZTEMY-QGZVFWFLSA-N -1 0 326.396 3.868 20 0 EHADRM O=C([O-])[C@@H](NC(=O)C1CCC(F)(F)CC1)c1cccc2ccccc21 ZINC000910936117 939759795 /nfs/dbraw/zinc/75/97/95/939759795.db2.gz MFGZVAONJJCWFK-INIZCTEOSA-N -1 0 347.361 3.907 20 0 EHADRM CCc1cccc(NC(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)c1 ZINC000580271948 939769255 /nfs/dbraw/zinc/76/92/55/939769255.db2.gz HMPRHCSJGUPZOE-KRWDZBQOSA-N -1 0 326.396 3.813 20 0 EHADRM O=C([O-])[C@@H](NC(=O)NCC1CCCC1)c1ccc(Cl)cc1Cl ZINC000583300098 939789896 /nfs/dbraw/zinc/78/98/96/939789896.db2.gz ZISQZBVDQFSDDB-ZDUSSCGKSA-N -1 0 345.226 3.609 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc(C(F)F)cc1F)C1CCCCC1 ZINC000621585757 939811099 /nfs/dbraw/zinc/81/10/99/939811099.db2.gz JOPHXBFKCCWBJR-CYBMUJFWSA-N -1 0 329.318 3.527 20 0 EHADRM CCC[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(C)c(C)c1)c1ccccn1 ZINC000630201073 939817122 /nfs/dbraw/zinc/81/71/22/939817122.db2.gz JITIKTFQMQHSGU-FUHWJXTLSA-N -1 0 340.423 3.524 20 0 EHADRM CC[C@](NC(=O)c1cc[nH]c1C(C)C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001123380177 939824858 /nfs/dbraw/zinc/82/48/58/939824858.db2.gz MVNBQXDBBBZHOE-GOSISDBHSA-N -1 0 348.830 3.911 20 0 EHADRM C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)[C@@H](C(=O)[O-])C3CC3)c2)C1 ZINC000656849496 939847251 /nfs/dbraw/zinc/84/72/51/939847251.db2.gz LAUFZAMOKSUYIJ-XWIAVFTESA-N -1 0 345.439 3.831 20 0 EHADRM COc1ccccc1Oc1ccc(NC(=O)[C@H](C(=O)[O-])C2CC2)cc1 ZINC000656849889 939847261 /nfs/dbraw/zinc/84/72/61/939847261.db2.gz QZRRFHZUKDEIDV-QGZVFWFLSA-N -1 0 341.363 3.537 20 0 EHADRM Cc1ccc(-c2nc(NC(=O)[C@H](C(=O)[O-])C3CC3)sc2C)s1 ZINC000656852887 939847370 /nfs/dbraw/zinc/84/73/70/939847370.db2.gz SSKNJBMJHSTHMH-LLVKDONJSA-N -1 0 336.438 3.538 20 0 EHADRM C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)[C@@H](C(=O)[O-])C3CC3)c2)C1 ZINC000656849491 939847389 /nfs/dbraw/zinc/84/73/89/939847389.db2.gz LAUFZAMOKSUYIJ-BVGQSLNGSA-N -1 0 345.439 3.831 20 0 EHADRM COc1cccc([C@H](NC(=O)CC[C@H](C)c2ccccc2)C(=O)[O-])c1 ZINC000659174901 939848976 /nfs/dbraw/zinc/84/89/76/939848976.db2.gz KAHBGALSFGYLSU-LIRRHRJNSA-N -1 0 341.407 3.521 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1cccc(COC2CCCCC2)c1)C1CC1 ZINC000663075404 939852755 /nfs/dbraw/zinc/85/27/55/939852755.db2.gz LXIXYJWQGVMRRQ-QGZVFWFLSA-N -1 0 331.412 3.585 20 0 EHADRM O=C([O-])[C@@]1(NC(=O)c2cc3ccccc3s2)CCc2ccccc21 ZINC000675987853 939866622 /nfs/dbraw/zinc/86/66/22/939866622.db2.gz TZHYEDCFLJOQBC-LJQANCHMSA-N -1 0 337.400 3.557 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1cccc2ccccc21)c1ccsc1 ZINC000683921547 939871235 /nfs/dbraw/zinc/87/12/35/939871235.db2.gz RWBVOAVGDZBRLL-HNNXBMFYSA-N -1 0 326.377 3.849 20 0 EHADRM CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000321588533 970786430 /nfs/dbraw/zinc/78/64/30/970786430.db2.gz DTOIDALEUQBOBR-NOZJJQNGSA-N -1 0 326.343 3.753 20 0 EHADRM Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC[C@@]1(C)C(=O)[O-] ZINC001600317686 970797956 /nfs/dbraw/zinc/79/79/56/970797956.db2.gz QWFDIVXPYYCQTM-SFHVURJKSA-N -1 0 344.436 3.506 20 0 EHADRM Cc1cccc2cc(C(=O)NC3CCC(C(=O)[O-])CC3)c(Cl)nc12 ZINC001600558400 970826429 /nfs/dbraw/zinc/82/64/29/970826429.db2.gz JYMHIEFVFGHWJU-UHFFFAOYSA-N -1 0 346.814 3.570 20 0 EHADRM O=C([O-])c1cccc(F)c1NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000321977984 970832790 /nfs/dbraw/zinc/83/27/90/970832790.db2.gz ZZGCBLNVDCTVIX-IUCAKERBSA-N -1 0 333.281 3.831 20 0 EHADRM C[C@H]1CCN(Cc2coc(-c3cccc(Cl)c3)n2)[C@H](C(=O)[O-])C1 ZINC000322501300 970895664 /nfs/dbraw/zinc/89/56/64/970895664.db2.gz OBOMCQFHCVCINO-NHYWBVRUSA-N -1 0 334.803 3.680 20 0 EHADRM Cc1cc(CS(=O)(=O)c2ccc(Cl)cc2Cl)oc1C(=O)[O-] ZINC000322582787 970905510 /nfs/dbraw/zinc/90/55/10/970905510.db2.gz MONPZEIEUMAFRT-UHFFFAOYSA-N -1 0 349.191 3.567 20 0 EHADRM O=C([O-])c1cccc(F)c1NC(=O)CCSc1ccccc1F ZINC000322963232 970951237 /nfs/dbraw/zinc/95/12/37/970951237.db2.gz WNYLCCGUVUAMAW-UHFFFAOYSA-N -1 0 337.347 3.784 20 0 EHADRM O=C([O-])c1cccc(NC(=O)Cc2cc3cc(Cl)ccc3[nH]2)c1 ZINC001601355288 970981649 /nfs/dbraw/zinc/98/16/49/970981649.db2.gz STTGVJPTGHABKK-UHFFFAOYSA-N -1 0 328.755 3.701 20 0 EHADRM COCc1ccc(NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000323466200 971007605 /nfs/dbraw/zinc/00/76/05/971007605.db2.gz XEOXSQNOHFWHQI-UHFFFAOYSA-N -1 0 334.759 3.829 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)c1cc(F)ccc1Cl ZINC000323778591 971037543 /nfs/dbraw/zinc/03/75/43/971037543.db2.gz ZNFNELZOZKTLDA-UHFFFAOYSA-N -1 0 333.746 3.770 20 0 EHADRM Cc1cc(C)cc(OCCC(=O)Nc2ccc(F)cc2C(=O)[O-])c1 ZINC000323865505 971048197 /nfs/dbraw/zinc/04/81/97/971048197.db2.gz HAYJOPBEHUFWSF-UHFFFAOYSA-N -1 0 331.343 3.548 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc(CC(=O)[O-])cc2)o1 ZINC000324003222 971072851 /nfs/dbraw/zinc/07/28/51/971072851.db2.gz GQEFMGOKMSOZDT-MLGOLLRUSA-N -1 0 327.380 3.601 20 0 EHADRM COc1ccc(CCC(=O)Nc2ccc(C)cc2C(=O)[O-])cc1Cl ZINC000324021604 971074594 /nfs/dbraw/zinc/07/45/94/971074594.db2.gz MFJNPVOWRICDPQ-UHFFFAOYSA-N -1 0 347.798 3.927 20 0 EHADRM O=C([O-])c1ccc(C[S@](=O)Cc2ncc(Cl)cc2Cl)cc1 ZINC001611543009 971100340 /nfs/dbraw/zinc/10/03/40/971100340.db2.gz BKJIHORRBUFTPC-NRFANRHFSA-N -1 0 344.219 3.536 20 0 EHADRM Cc1ccccc1N(CCC(=O)[O-])C(=O)COc1ccccc1Cl ZINC000324255545 971102497 /nfs/dbraw/zinc/10/24/97/971102497.db2.gz UORJLASNFJDDBY-UHFFFAOYSA-N -1 0 347.798 3.535 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)NC[C@@H]2CCC[C@H]2C2CC2)c1 ZINC001602043063 971127447 /nfs/dbraw/zinc/12/74/47/971127447.db2.gz NHRXPMHDEPSLOU-RDJZCZTQSA-N -1 0 330.428 3.652 20 0 EHADRM Cc1ccc(OCc2nnc(-c3ccccc3Cl)o2)c(C(=O)[O-])c1 ZINC000324536873 971130135 /nfs/dbraw/zinc/13/01/35/971130135.db2.gz SHZGJUBOXGRNIU-UHFFFAOYSA-N -1 0 344.754 3.976 20 0 EHADRM C[C@H](c1ccccc1)N(C)C(=O)COc1cc(Cl)ccc1C(=O)[O-] ZINC000324580390 971135003 /nfs/dbraw/zinc/13/50/03/971135003.db2.gz GAMYAEFQOWXSJS-GFCCVEGCSA-N -1 0 347.798 3.637 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000324882322 971166830 /nfs/dbraw/zinc/16/68/30/971166830.db2.gz DRMUVSMLQJRQMW-NSHDSACASA-N -1 0 348.786 3.686 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cnc3ccccc3c2O)ccc1Cl ZINC000325056945 971180175 /nfs/dbraw/zinc/18/01/75/971180175.db2.gz RNYGMCHUMOQELB-UHFFFAOYSA-N -1 0 342.738 3.544 20 0 EHADRM CCOc1ccc2nc(NC(=O)c3ccc(C(=O)[O-])cc3)sc2c1 ZINC000325112219 971186641 /nfs/dbraw/zinc/18/66/41/971186641.db2.gz HDNJRSUVMSQUAJ-UHFFFAOYSA-N -1 0 342.376 3.646 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)c1 ZINC000325376253 971210111 /nfs/dbraw/zinc/21/01/11/971210111.db2.gz RAVMAWIMTYVEJG-IUODEOHRSA-N -1 0 336.432 3.875 20 0 EHADRM O=C([O-])c1cncc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC001602539142 971220190 /nfs/dbraw/zinc/22/01/90/971220190.db2.gz MGGJNXRHEBPSMN-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM O=C([O-])c1ccc2c(c1)N(C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)CC2 ZINC000325816964 971246169 /nfs/dbraw/zinc/24/61/69/971246169.db2.gz QRUAKEGRQGGVPU-CHWSQXEVSA-N -1 0 341.329 3.643 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)N2CCC[C@@H]2C2CCCC2)c1 ZINC000325871330 971250817 /nfs/dbraw/zinc/25/08/17/971250817.db2.gz LDKTXQDBQWNOBE-QGZVFWFLSA-N -1 0 330.428 3.890 20 0 EHADRM O=C([O-])c1cccc(F)c1NC(=O)c1cccc(OC(F)(F)F)c1 ZINC000326428729 971292980 /nfs/dbraw/zinc/29/29/80/971292980.db2.gz REYIYSLDPDPKIO-UHFFFAOYSA-N -1 0 343.232 3.675 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)[C@H]1CCCc2ccccc21 ZINC000326624626 971310869 /nfs/dbraw/zinc/31/08/69/971310869.db2.gz QOGDLINFIZSASL-ZWKOTPCHSA-N -1 0 329.440 3.646 20 0 EHADRM CCC1CCC(NC(=O)c2ccc(-n3cccc3)cc2)(C(=O)[O-])CC1 ZINC000326656238 971313811 /nfs/dbraw/zinc/31/38/11/971313811.db2.gz CJPDNBWARNWCDS-UHFFFAOYSA-N -1 0 340.423 3.631 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCc1coc(-c2ccc(C)cc2)n1 ZINC000326752467 971324867 /nfs/dbraw/zinc/32/48/67/971324867.db2.gz MCEFDWLLLHFMJM-UHFFFAOYSA-N -1 0 339.347 3.936 20 0 EHADRM COc1cc(NC(=O)[C@@H]2CCCCC2(C)C)c(C(=O)[O-])cc1OC ZINC000326839218 971333880 /nfs/dbraw/zinc/33/38/80/971333880.db2.gz OCUGNCMDMKDDLA-LBPRGKRZSA-N -1 0 335.400 3.557 20 0 EHADRM COc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1C(=O)[O-] ZINC000326907721 971343655 /nfs/dbraw/zinc/34/36/55/971343655.db2.gz MRTXEWVWDFXYIO-UHFFFAOYSA-N -1 0 339.269 3.665 20 0 EHADRM CCC1CCC(N(C)C(=O)Nc2ccc(C(=O)[O-])c(OC)c2)CC1 ZINC000326920624 971345931 /nfs/dbraw/zinc/34/59/31/971345931.db2.gz STAAGUVFKAMHPM-UHFFFAOYSA-N -1 0 334.416 3.826 20 0 EHADRM O=C([O-])c1cc(NC(=O)Cc2cccc3ccccc32)c(F)cc1F ZINC000326955347 971350148 /nfs/dbraw/zinc/35/01/48/971350148.db2.gz IOZWUNLTRYOWTO-UHFFFAOYSA-N -1 0 341.313 3.997 20 0 EHADRM CCCCc1ccc(CC(=O)NCCc2ccccc2C(=O)[O-])cc1 ZINC000327229742 971378164 /nfs/dbraw/zinc/37/81/64/971378164.db2.gz KQCISXCBWRMVRV-UHFFFAOYSA-N -1 0 339.435 3.629 20 0 EHADRM O=C([O-])[C@@H]1CCCCCN1C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000327287477 971383781 /nfs/dbraw/zinc/38/37/81/971383781.db2.gz VXDZVBRIYJKVNY-SFHVURJKSA-N -1 0 339.391 3.948 20 0 EHADRM Cc1ccc(O[C@H](C)C(=O)N(CCC(=O)[O-])c2ccccc2C)cc1 ZINC000327339520 971390082 /nfs/dbraw/zinc/39/00/82/971390082.db2.gz BBTJAAWEUXPVPO-MRXNPFEDSA-N -1 0 341.407 3.579 20 0 EHADRM O=C([O-])/C=C\c1ccc(OCCn2cc(-c3ccccc3)cn2)cc1 ZINC000327397391 971395466 /nfs/dbraw/zinc/39/54/66/971395466.db2.gz BLAOSBDWOCZZHZ-FLIBITNWSA-N -1 0 334.375 3.727 20 0 EHADRM CC(C)(CCNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F)C1CC1 ZINC000328563222 971503869 /nfs/dbraw/zinc/50/38/69/971503869.db2.gz IYLSACBQQGATLS-UHFFFAOYSA-N -1 0 326.343 3.611 20 0 EHADRM CC(C)C[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC000033463616 948802416 /nfs/dbraw/zinc/80/24/16/948802416.db2.gz LLLWPNDBKQYTDZ-KRWDZBQOSA-N -1 0 327.380 3.708 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)c1sc2cc(F)ccc2c1Cl ZINC000037411630 948827837 /nfs/dbraw/zinc/82/78/37/948827837.db2.gz ARLWDXKVIWIQGM-UHFFFAOYSA-N -1 0 329.780 3.631 20 0 EHADRM COc1ccc2nc(CNc3ccc(C)c(C(=O)[O-])c3)sc2c1 ZINC000340671695 971517384 /nfs/dbraw/zinc/51/73/84/971517384.db2.gz QHQJOINNZZQEGZ-UHFFFAOYSA-N -1 0 328.393 3.924 20 0 EHADRM CCCC[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3)C(=O)[O-] ZINC000347368499 971524643 /nfs/dbraw/zinc/52/46/43/971524643.db2.gz QWGFFSWHJSGGSX-SGTLLEGYSA-N -1 0 342.439 3.666 20 0 EHADRM Cc1cccc([C@H]2CCCCN2C(=O)c2cc(C(=O)[O-])co2)c1C ZINC000352410582 971528562 /nfs/dbraw/zinc/52/85/62/971528562.db2.gz RFTMHKKNMMICTO-MRXNPFEDSA-N -1 0 327.380 3.962 20 0 EHADRM CC[C@H](OC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1)C(C)(C)c1ccccc1 ZINC001589580288 949010144 /nfs/dbraw/zinc/01/01/44/949010144.db2.gz XKVGNRDLBVUOCC-XIRDDKMYSA-N -1 0 348.439 3.556 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)cc1 ZINC000354171080 971529765 /nfs/dbraw/zinc/52/97/65/971529765.db2.gz FHKNAUOVRZHPDS-HZPDHXFCSA-N -1 0 345.782 3.546 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000357415439 971531644 /nfs/dbraw/zinc/53/16/44/971531644.db2.gz FFDICYXNMSVQDV-OAHLLOKOSA-N -1 0 345.782 3.682 20 0 EHADRM O=C([O-])CCC(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1 ZINC000359095517 971532855 /nfs/dbraw/zinc/53/28/55/971532855.db2.gz YCCKPVIBAAOIAB-UHFFFAOYSA-N -1 0 344.314 3.632 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N2CC3(CCCC3)[C@@H]2c2ccco2)o1 ZINC001595225673 949290060 /nfs/dbraw/zinc/29/00/60/949290060.db2.gz PGHBYQRIUQCRCW-QLBOMPFWSA-N -1 0 341.363 3.728 20 0 EHADRM CC[C@@]1(C)Oc2ccc(NC(=O)C3(C(=O)[O-])C(C)(C)C3(C)C)cc2O1 ZINC001589610800 949320471 /nfs/dbraw/zinc/32/04/71/949320471.db2.gz NWCDWNSCVCKADB-SFHVURJKSA-N -1 0 347.411 3.660 20 0 EHADRM O=C([O-])[C@H]1CCCCN1Cc1ccc(Br)cc1Cl ZINC000158464680 949369872 /nfs/dbraw/zinc/36/98/72/949369872.db2.gz ICROCFFQSUBFCI-GFCCVEGCSA-N -1 0 332.625 3.542 20 0 EHADRM CC[C@@H]1CCCC[C@H]1OCC(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC001589621642 949419232 /nfs/dbraw/zinc/41/92/32/949419232.db2.gz MQZRSMADCVTFCN-QGPMSJSTSA-N -1 0 345.439 3.577 20 0 EHADRM CC[C@H]1CCc2c(sc(NC(=O)Cc3cccnc3)c2C(=O)[O-])C1 ZINC001589623723 949449816 /nfs/dbraw/zinc/44/98/16/949449816.db2.gz YATZFEBSGNSBRK-NSHDSACASA-N -1 0 344.436 3.537 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(C)cc1Sc1ccccc1)C(=O)[O-] ZINC000190904445 949502372 /nfs/dbraw/zinc/50/23/72/949502372.db2.gz HYSJTYSHVOUNEW-OAHLLOKOSA-N -1 0 329.421 3.739 20 0 EHADRM C[C@](CNC(=O)c1cccc2ccccc21)(C(=O)[O-])c1ccccc1 ZINC000193104168 949520523 /nfs/dbraw/zinc/52/05/23/949520523.db2.gz QNIIYUDUFCEXMT-OAQYLSRUSA-N -1 0 333.387 3.612 20 0 EHADRM CCCC[C@H](CCC)NC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001589641570 949694627 /nfs/dbraw/zinc/69/46/27/949694627.db2.gz UZATVMBUCSXYFX-LPHOPBHVSA-N -1 0 334.460 3.687 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)O[C@@H](c1ccc2ccccc2c1)C(F)(F)F ZINC001602810699 971602234 /nfs/dbraw/zinc/60/22/34/971602234.db2.gz RQSYRLJSMZECBC-RNCFNFMXSA-N -1 0 326.270 3.707 20 0 EHADRM CCCCN(CC)c1ccc(C(=O)Nc2ccnc(C(=O)[O-])c2)cc1 ZINC001589647631 949746084 /nfs/dbraw/zinc/74/60/84/949746084.db2.gz FLYONDWRKNQJSM-UHFFFAOYSA-N -1 0 341.411 3.659 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)Oc1cccc(-c2nc(C(C)(C)C)cs2)c1 ZINC001602815077 971612827 /nfs/dbraw/zinc/61/28/27/971612827.db2.gz WFUJGRRMIYLZIQ-JTQLQIEISA-N -1 0 333.409 3.734 20 0 EHADRM C[C@H]1CCCCN1C(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC000235571034 949873359 /nfs/dbraw/zinc/87/33/59/949873359.db2.gz YNHGPHNGYCSIIC-VIFPVBQESA-N -1 0 341.205 3.554 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)O[C@H]1CCC[C@@H]1Cc1cccc(Cl)c1 ZINC001595274648 949896748 /nfs/dbraw/zinc/89/67/48/949896748.db2.gz FAWOJQQPMUOADI-OJLVUWQFSA-N -1 0 336.815 3.705 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)CC(c1ccccc1)c1ccccc1 ZINC000236706724 949931936 /nfs/dbraw/zinc/93/19/36/949931936.db2.gz DVJZRLNHKHRPIK-UHFFFAOYSA-N -1 0 325.408 3.530 20 0 EHADRM O=C([O-])CCCCNC(=O)CC(c1ccccc1)c1ccccc1 ZINC000238170560 949997875 /nfs/dbraw/zinc/99/78/75/949997875.db2.gz SHOKCCQXHKUKNW-UHFFFAOYSA-N -1 0 325.408 3.580 20 0 EHADRM CCCN(CCC)c1ccc(NC(=O)NCC2(C(=O)[O-])CCC2)cc1 ZINC001589679632 950025166 /nfs/dbraw/zinc/02/51/66/950025166.db2.gz FSQIUKNGWJEVAP-UHFFFAOYSA-N -1 0 347.459 3.689 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000262190037 950082827 /nfs/dbraw/zinc/08/28/27/950082827.db2.gz SFUOKKAYFIYZGG-LBPRGKRZSA-N -1 0 338.473 3.609 20 0 EHADRM C[C@H](CC(=O)N1CCCC[C@H]1CCC(=O)[O-])c1ccc(F)cc1F ZINC000262954113 950197925 /nfs/dbraw/zinc/19/79/25/950197925.db2.gz NBYPZJGJMNUNDB-OCCSQVGLSA-N -1 0 339.382 3.704 20 0 EHADRM C[C@@H](C(=O)[O-])c1noc(-c2ccccc2COCc2ccccc2)n1 ZINC001602823693 971638945 /nfs/dbraw/zinc/63/89/45/971638945.db2.gz MTWMSJRMZSMFAD-CYBMUJFWSA-N -1 0 338.363 3.642 20 0 EHADRM CCN(C(=O)Nc1cccc(C(=O)[O-])c1)[C@H](C)c1cccc(O)c1 ZINC001589706640 950295810 /nfs/dbraw/zinc/29/58/10/950295810.db2.gz GXOUKHHAAZDKPS-GFCCVEGCSA-N -1 0 328.368 3.705 20 0 EHADRM CCN(C(=O)c1cccc(-c2c(F)cccc2F)c1)[C@H](C)C(=O)[O-] ZINC001589711108 950325625 /nfs/dbraw/zinc/32/56/25/950325625.db2.gz KRZGTZIWRPZJHT-LLVKDONJSA-N -1 0 333.334 3.567 20 0 EHADRM Cc1ccc(C)c(C(=O)CCC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000263264412 950345432 /nfs/dbraw/zinc/34/54/32/950345432.db2.gz KMUXHRVLAJIDLQ-MRXNPFEDSA-N -1 0 345.439 3.512 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263302531 950357824 /nfs/dbraw/zinc/35/78/24/950357824.db2.gz GTOHFZUCHXQPHN-YUTCNCBUSA-N -1 0 344.411 3.554 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000263502839 950494415 /nfs/dbraw/zinc/49/44/15/950494415.db2.gz LFNQYWRBQBBZSY-KOLCDFICSA-N -1 0 347.358 3.624 20 0 EHADRM N#Cc1cc(F)c(NCC2(C(=O)[O-])CCCC2)cc1Br ZINC000380178519 971682905 /nfs/dbraw/zinc/68/29/05/971682905.db2.gz ASWSLHGWUYERCH-UHFFFAOYSA-N -1 0 341.180 3.517 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)/C=C\c1cc(Cl)cc(Cl)c1 ZINC000317710916 950914532 /nfs/dbraw/zinc/91/45/32/950914532.db2.gz IDUNFWVZKPSBOL-ARJAWSKDSA-N -1 0 337.162 3.739 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1cc(F)cc(Cl)c1)CC(=O)[O-] ZINC000318221423 950921679 /nfs/dbraw/zinc/92/16/79/950921679.db2.gz IDSZAEMNXBDKPT-JTQLQIEISA-N -1 0 330.787 3.738 20 0 EHADRM O=C([O-])[C@@H]1CCCN1C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000324624010 951072041 /nfs/dbraw/zinc/07/20/41/951072041.db2.gz RSVVMRWULITKBZ-INIZCTEOSA-N -1 0 326.352 3.560 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)N2CCC(C)(C(=O)[O-])CC2)c1 ZINC000324998387 951078905 /nfs/dbraw/zinc/07/89/05/951078905.db2.gz YFUUVHWVYAKGQA-ZDUSSCGKSA-N -1 0 334.416 3.583 20 0 EHADRM Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000345785298 951132674 /nfs/dbraw/zinc/13/26/74/951132674.db2.gz RYUPZMHCELVORW-UHFFFAOYSA-N -1 0 336.347 3.529 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)N[C@@H](C(C)(C)C)C(F)(F)F)C(=O)[O-] ZINC001602861195 971718664 /nfs/dbraw/zinc/71/86/64/971718664.db2.gz MFGNVUGYVAKMLH-ONGXEEELSA-N -1 0 340.386 3.542 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 ZINC000375609955 951152159 /nfs/dbraw/zinc/15/21/59/951152159.db2.gz COEYCUKPRPQPSN-UONOGXRCSA-N -1 0 331.318 3.681 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])c1ccnc(-c2cccc(Cl)c2)n1 ZINC001602867321 971728639 /nfs/dbraw/zinc/72/86/39/971728639.db2.gz GWMGOUXMARKMMO-UHFFFAOYSA-N -1 0 333.819 3.734 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)N[C@@H](C2CCC2)C2CCCC2)C1 ZINC001595012890 951271577 /nfs/dbraw/zinc/27/15/77/951271577.db2.gz LWVXZYLKUVRGNQ-RDTXWAMCSA-N -1 0 336.476 3.632 20 0 EHADRM O=C([O-])CC[C@@H]1Cc2ccccc2N(C[C@@H]2CCC3(CCC3)O2)C1 ZINC001595024733 951332675 /nfs/dbraw/zinc/33/26/75/951332675.db2.gz KIAAIIGJVXXXCC-WBVHZDCISA-N -1 0 329.440 3.632 20 0 EHADRM Cc1ccc(CCC(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1Cl ZINC000390317905 951374071 /nfs/dbraw/zinc/37/40/71/951374071.db2.gz PNZKDIFDCBQKCP-UHFFFAOYSA-N -1 0 333.771 3.624 20 0 EHADRM O=C([O-])CCCC(=O)OCc1ccc(C(F)(F)C(F)(F)F)cc1 ZINC001595031799 951375801 /nfs/dbraw/zinc/37/58/01/951375801.db2.gz XNEVUYKHHWUCDA-UHFFFAOYSA-N -1 0 340.244 3.639 20 0 EHADRM O=C([O-])CCCCCNc1ncnc2cc(Br)sc21 ZINC001595040592 951417853 /nfs/dbraw/zinc/41/78/53/951417853.db2.gz FIOVLDXRGJEIIY-UHFFFAOYSA-N -1 0 344.234 3.511 20 0 EHADRM CC(C)COc1ccc(C(=O)NC2(CC(=O)[O-])CCCCC2)cc1 ZINC000392458079 951420563 /nfs/dbraw/zinc/42/05/63/951420563.db2.gz HOZQPDXTFHKJNG-UHFFFAOYSA-N -1 0 333.428 3.629 20 0 EHADRM Cc1cc(NC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)c(Cl)cc1F ZINC000397110035 951526674 /nfs/dbraw/zinc/52/66/74/951526674.db2.gz QFLXJIAFTPFKAZ-NXEZZACHSA-N -1 0 328.771 3.505 20 0 EHADRM Cc1cc(NC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)c(Cl)cc1F ZINC000397110038 951527768 /nfs/dbraw/zinc/52/77/68/951527768.db2.gz QFLXJIAFTPFKAZ-ZJUUUORDSA-N -1 0 328.771 3.505 20 0 EHADRM O=C([O-])CCSCc1csc(COc2ccc(F)cc2)n1 ZINC001595064105 951533276 /nfs/dbraw/zinc/53/32/76/951533276.db2.gz ZHSRISTZGGRXHA-UHFFFAOYSA-N -1 0 327.402 3.569 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2cc(F)cc3ccncc32)c1 ZINC001595064330 951536243 /nfs/dbraw/zinc/53/62/43/951536243.db2.gz RDCFIXNSYCCPGG-UHFFFAOYSA-N -1 0 338.338 3.643 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2cccc(-c3cnco3)c2)c1 ZINC001595064235 951536559 /nfs/dbraw/zinc/53/65/59/951536559.db2.gz LYAXQZZZHMUMMU-UHFFFAOYSA-N -1 0 336.347 3.611 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)N2CC[C@H]2Cc2ccccc2)c1 ZINC001595065126 951539207 /nfs/dbraw/zinc/53/92/07/951539207.db2.gz CQDAOLQGHQFKSH-SFHVURJKSA-N -1 0 338.407 3.553 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2ocnc2-c2ccccc2)c1 ZINC001595066867 951558385 /nfs/dbraw/zinc/55/83/85/951558385.db2.gz ZGKTXOIUMVDTOU-UHFFFAOYSA-N -1 0 336.347 3.611 20 0 EHADRM O=C([O-])c1cccc(CSc2nnc3n2CCCCC3)c1Cl ZINC000381545724 971764782 /nfs/dbraw/zinc/76/47/82/971764782.db2.gz SSFDVLPBYVXJBU-UHFFFAOYSA-N -1 0 337.832 3.648 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2ccccc2-c2ccncc2)c1 ZINC001595132434 952043750 /nfs/dbraw/zinc/04/37/50/952043750.db2.gz AZTPZDFYJICZOL-UHFFFAOYSA-N -1 0 332.359 3.628 20 0 EHADRM O=C([O-])[C@@H](NC(=O)C1(Cc2ccccc2Cl)CC1)c1ccccc1 ZINC001595161067 952195342 /nfs/dbraw/zinc/19/53/42/952195342.db2.gz MWVQASFGBJWCLG-INIZCTEOSA-N -1 0 343.810 3.605 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)C1 ZINC001595173570 952232146 /nfs/dbraw/zinc/23/21/46/952232146.db2.gz JUJKEBPGRXGOCE-VHSXEESVSA-N -1 0 349.736 3.736 20 0 EHADRM CC(C)(C)OC1CC(CC(=O)N2CCCc3cc(C(=O)[O-])ccc32)C1 ZINC001602915489 971865999 /nfs/dbraw/zinc/86/59/99/971865999.db2.gz CLVMLAIVFSBEDS-UHFFFAOYSA-N -1 0 345.439 3.648 20 0 EHADRM CCCN(Cc1ccccc1)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000383702761 971888216 /nfs/dbraw/zinc/88/82/16/971888216.db2.gz DJRWKACVNLVITR-UHFFFAOYSA-N -1 0 342.395 3.594 20 0 EHADRM CC(C)[C@@H](NC(=O)N(C)CCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000414593248 953395370 /nfs/dbraw/zinc/39/53/70/953395370.db2.gz DOZASUBCSROMBW-OAHLLOKOSA-N -1 0 326.824 3.543 20 0 EHADRM C[C@H](NC(=O)N(C)CCCC(=O)[O-])c1cccc(Cl)c1Cl ZINC000414621986 953401086 /nfs/dbraw/zinc/40/10/86/953401086.db2.gz GRUJGZHHEHUURC-VIFPVBQESA-N -1 0 333.215 3.561 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)NCCCCCC(=O)[O-])CC2 ZINC000414638693 953405800 /nfs/dbraw/zinc/40/58/00/953405800.db2.gz HLXMJBXKRUIHMV-KRWDZBQOSA-N -1 0 332.444 3.742 20 0 EHADRM C[C@@H](c1ccc(C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1)C(F)(F)F ZINC001589275370 953465673 /nfs/dbraw/zinc/46/56/73/953465673.db2.gz ZWEZMHRTXYGYTN-UHIISALHSA-N -1 0 343.345 3.535 20 0 EHADRM CCC(CC)(CNC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1)C(=O)[O-] ZINC000424432862 953486597 /nfs/dbraw/zinc/48/65/97/953486597.db2.gz QXOZDYMUYXJNFX-ZIAGYGMSSA-N -1 0 336.432 3.653 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)CCCc1cc(F)ccc1F ZINC000450516057 953514486 /nfs/dbraw/zinc/51/44/86/953514486.db2.gz ALEBQBYQMZBZKU-OAHLLOKOSA-N -1 0 339.382 3.533 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000507280098 953534423 /nfs/dbraw/zinc/53/44/23/953534423.db2.gz NRZHMDLMZPVPNM-UONOGXRCSA-N -1 0 346.770 3.577 20 0 EHADRM C[C@H](NC(=O)N[C@H]1CCC(C)(C)C[C@H]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589284990 953554851 /nfs/dbraw/zinc/55/48/51/953554851.db2.gz QQNIEHMXCBBFBF-FQKPHLNHSA-N -1 0 338.492 3.636 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1 ZINC000532555280 953563157 /nfs/dbraw/zinc/56/31/57/953563157.db2.gz ZESZLXMFVWVRLK-UKRRQHHQSA-N -1 0 349.308 3.690 20 0 EHADRM C[C@@H](C(=O)N1CCC[C@H](CC(=O)[O-])C1)c1ccc2ccccc2c1 ZINC000532694917 953564744 /nfs/dbraw/zinc/56/47/44/953564744.db2.gz HNUNLWPKJIKXNO-HUUCEWRRSA-N -1 0 325.408 3.657 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000533196422 953570007 /nfs/dbraw/zinc/57/00/07/953570007.db2.gz HASQTZGPUGXVTL-QGZVFWFLSA-N -1 0 337.419 3.609 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccccc2NC2CCCCC2)C[C@H]1C(=O)[O-] ZINC000564730313 953605408 /nfs/dbraw/zinc/60/54/08/953605408.db2.gz YECZEKRJBQOZGQ-WMLDXEAASA-N -1 0 344.455 3.614 20 0 EHADRM Cc1cccc2cc(C(=O)NC[C@](C)(C(=O)[O-])c3ccccc3)oc21 ZINC000566408926 953626216 /nfs/dbraw/zinc/62/62/16/953626216.db2.gz QBULZXLTJBAVIA-FQEVSTJZSA-N -1 0 337.375 3.514 20 0 EHADRM CC[C@@H](NC(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1cccc(Cl)c1 ZINC000566608069 953628024 /nfs/dbraw/zinc/62/80/24/953628024.db2.gz DTBFJCSTYFLICX-SWLSCSKDSA-N -1 0 338.835 3.687 20 0 EHADRM CCc1ccc2c(c1)[C@@H](NC(=O)C1(C(=O)[O-])CCCCCC1)CCO2 ZINC001593640509 953641576 /nfs/dbraw/zinc/64/15/76/953641576.db2.gz AKQJJVMVJPISOV-INIZCTEOSA-N -1 0 345.439 3.614 20 0 EHADRM Cc1coc(-c2cc(NC(=O)C3(CC(=O)[O-])CCC3)ccc2C)n1 ZINC000569697291 953650755 /nfs/dbraw/zinc/65/07/55/953650755.db2.gz LVWKWKGWVMAGLC-UHFFFAOYSA-N -1 0 328.368 3.542 20 0 EHADRM CCOCc1ccc(NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC000572321714 953667989 /nfs/dbraw/zinc/66/79/89/953667989.db2.gz GHRRYSDWURLCJV-HNNXBMFYSA-N -1 0 336.432 3.624 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1ccc2oc(C(C)C)nc2c1)C(=O)[O-] ZINC000573396610 953673014 /nfs/dbraw/zinc/67/30/14/953673014.db2.gz GSZGPOPODMZVNV-HZMBPMFUSA-N -1 0 333.388 3.572 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1csnc1-c1ccccc1 ZINC001589304034 953721563 /nfs/dbraw/zinc/72/15/63/953721563.db2.gz LBEGUYYACYDLNT-WCQYABFASA-N -1 0 345.424 3.527 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccccc1CCC(F)(F)F ZINC001589305353 953733061 /nfs/dbraw/zinc/73/30/61/953733061.db2.gz NSRHPIQKJCFQRH-AAEUAGOBSA-N -1 0 343.345 3.507 20 0 EHADRM CCCn1ccc2ccc(NC(=O)N3CC[C@@H](C(=O)[O-])[C@@H](C)C3)cc21 ZINC000630563302 953860981 /nfs/dbraw/zinc/86/09/81/953860981.db2.gz WOVKQMVVONVJHQ-XJKSGUPXSA-N -1 0 343.427 3.626 20 0 EHADRM C[C@@H]1CCCN(C(=O)CCSc2cccc(Cl)c2)[C@@H]1C(=O)[O-] ZINC001589325791 953906967 /nfs/dbraw/zinc/90/69/67/953906967.db2.gz KOKDYQQNUVYYPO-ABAIWWIYSA-N -1 0 341.860 3.534 20 0 EHADRM CN(C(=O)[C@H](C(=O)[O-])C(C)(C)C)c1ccc(-c2nccs2)cc1 ZINC001593676373 953931244 /nfs/dbraw/zinc/93/12/44/953931244.db2.gz MQLWAQNWVLRPPK-CYBMUJFWSA-N -1 0 332.425 3.520 20 0 EHADRM O=C([O-])c1cc(NC(=O)NC2(c3ccc(F)cc3)CCCC2)ccn1 ZINC001594827811 953949702 /nfs/dbraw/zinc/94/97/02/953949702.db2.gz WMHZRIYDDVLFIC-UHFFFAOYSA-N -1 0 343.358 3.510 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H]1C(=O)[O-] ZINC000647689547 953962188 /nfs/dbraw/zinc/96/21/88/953962188.db2.gz WHINVRNRKPBAKL-WCBMZHEXSA-N -1 0 331.199 3.568 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc(-c3ccccc3)cc2)C[C@H]1C1CC1 ZINC000652131354 954084873 /nfs/dbraw/zinc/08/48/73/954084873.db2.gz WEXCRRLVOJDLME-RBUKOAKNSA-N -1 0 335.403 3.536 20 0 EHADRM CC(=O)c1cc(Br)ccc1OCc1ccccc1C(=O)[O-] ZINC000385217163 971987661 /nfs/dbraw/zinc/98/76/61/971987661.db2.gz GABHSSSGUDOFDU-UHFFFAOYSA-N -1 0 349.180 3.929 20 0 EHADRM C[C@H]1CCc2c(sc(NC(=O)[C@H]3CC3(Cl)Cl)c2C(=O)[O-])C1 ZINC001589362010 954159312 /nfs/dbraw/zinc/15/93/12/954159312.db2.gz MAKGFQJUAWZSDU-POYBYMJQSA-N -1 0 348.251 3.703 20 0 EHADRM C[C@H]1CCc2c(sc(NC(=O)c3ncoc3C3CC3)c2C(=O)[O-])C1 ZINC001589364983 954182203 /nfs/dbraw/zinc/18/22/03/954182203.db2.gz ZUFJPRWCKQBEFB-QMMMGPOBSA-N -1 0 346.408 3.689 20 0 EHADRM Cc1cc2cc[nH]c2cc1NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653543388 954191062 /nfs/dbraw/zinc/19/10/62/954191062.db2.gz LXFVRUBXHKILRN-FPMFFAJLSA-N -1 0 343.427 3.733 20 0 EHADRM CSc1ccc(C)c(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000655583469 954224493 /nfs/dbraw/zinc/22/44/93/954224493.db2.gz YSFMYULUWCLLPG-BYCMXARLSA-N -1 0 335.469 3.582 20 0 EHADRM C[C@@H](NC(=O)C(C)(C)Cc1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655585560 954227356 /nfs/dbraw/zinc/22/73/56/954227356.db2.gz ZROFLEDOJUZVTJ-VNQPRFMTSA-N -1 0 331.456 3.507 20 0 EHADRM C[C@H](CNC(=O)N(Cc1ccccc1Cl)C1CCCC1)C(=O)[O-] ZINC000655886346 954267954 /nfs/dbraw/zinc/26/79/54/954267954.db2.gz XQXNOCCJEWJHMS-GFCCVEGCSA-N -1 0 338.835 3.515 20 0 EHADRM C[C@@H](NC(=O)N1CC[C@@H](CC(C)(C)C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655899361 954278564 /nfs/dbraw/zinc/27/85/64/954278564.db2.gz FKPNDIJYBVSFQV-CBBWQLFWSA-N -1 0 338.492 3.590 20 0 EHADRM C[C@H]1CN(C(=O)c2cc3cc(C(C)(C)C)ccc3[nH]2)CC[C@@H]1C(=O)[O-] ZINC001589392715 954340705 /nfs/dbraw/zinc/34/07/05/954340705.db2.gz QNGFKPMZEUYOFP-WFASDCNBSA-N -1 0 342.439 3.648 20 0 EHADRM CC(C)C[C@H](CNC(=O)N([C@H](C)c1ccco1)C1CC1)CC(=O)[O-] ZINC000659417556 954341265 /nfs/dbraw/zinc/34/12/65/954341265.db2.gz KCJDSCUUMNQWRO-KGLIPLIRSA-N -1 0 336.432 3.652 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC=CCC1 ZINC001594872317 954365876 /nfs/dbraw/zinc/36/58/76/954365876.db2.gz RDIHRPQQCLHGOX-KRWDZBQOSA-N -1 0 346.383 3.699 20 0 EHADRM O=C([O-])C1(C(=O)OCc2ccc(Cl)cc2Cl)CCSCC1 ZINC001594876956 954384962 /nfs/dbraw/zinc/38/49/62/954384962.db2.gz UEBJFPPPIIVJIV-UHFFFAOYSA-N -1 0 349.235 3.635 20 0 EHADRM C[C@H]1CN(Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)c2ccccc21 ZINC001589399003 954396444 /nfs/dbraw/zinc/39/64/44/954396444.db2.gz LIXDXHJHCSHPEH-LSDHHAIUSA-N -1 0 340.423 3.704 20 0 EHADRM C[C@@H]1CN(Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)c2ccccc21 ZINC001589398996 954397268 /nfs/dbraw/zinc/39/72/68/954397268.db2.gz LIXDXHJHCSHPEH-CABCVRRESA-N -1 0 340.423 3.704 20 0 EHADRM Cc1csc(-c2ccc(NC(=O)[C@]3(C(=O)[O-])CC3(C)C)cc2)n1 ZINC000663035556 954409921 /nfs/dbraw/zinc/40/99/21/954409921.db2.gz XSCRNYAUMLVBIL-KRWDZBQOSA-N -1 0 330.409 3.558 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc(Cl)cc3ccccc32)C[C@@H]1C(=O)[O-] ZINC000663057174 954427012 /nfs/dbraw/zinc/42/70/12/954427012.db2.gz GKERFDLOPMBKBK-BZNIZROVSA-N -1 0 331.799 3.676 20 0 EHADRM CCN(C(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12)[C@H](C)C(=O)[O-] ZINC000663126477 954518176 /nfs/dbraw/zinc/51/81/76/954518176.db2.gz XOZQDUFZAORZHF-CYBMUJFWSA-N -1 0 340.423 3.664 20 0 EHADRM O=C([O-])CCCCNC(=O)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000666557378 954559162 /nfs/dbraw/zinc/55/91/62/954559162.db2.gz GLHIRUPFKYOZMN-GOSISDBHSA-N -1 0 346.471 3.686 20 0 EHADRM O=C([O-])CN(CC1CC1)C(=O)CCCc1csc2ccccc12 ZINC000678975834 954587400 /nfs/dbraw/zinc/58/74/00/954587400.db2.gz APKHMUXLJUVLGV-UHFFFAOYSA-N -1 0 331.437 3.547 20 0 EHADRM C[C@H](CCC(C)(C)C)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000386129351 972032037 /nfs/dbraw/zinc/03/20/37/972032037.db2.gz NZQFZEYDWLJMQY-SECBINFHSA-N -1 0 328.359 3.999 20 0 EHADRM CC[C@](C)(NC(=O)NCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001589451785 954805951 /nfs/dbraw/zinc/80/59/51/954805951.db2.gz VFKTYJGSWIGDKT-IBGZPJMESA-N -1 0 326.396 3.509 20 0 EHADRM CCC(C)(C)c1ccc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1 ZINC001589451990 954808885 /nfs/dbraw/zinc/80/88/85/954808885.db2.gz OOHKFRSNUCFMBI-DLBZAZTESA-N -1 0 329.440 3.557 20 0 EHADRM CC[C@@H](C)[C@@H]1CCCCN1C(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001589456911 954836303 /nfs/dbraw/zinc/83/63/03/954836303.db2.gz CJUMIXGLVJCNPT-PMPSAXMXSA-N -1 0 326.481 3.734 20 0 EHADRM CC[C@H](C)[C@@H](C)N(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1CC1 ZINC001589458015 954847376 /nfs/dbraw/zinc/84/73/76/954847376.db2.gz VTOVZNLQYLOZIV-ZNMIVQPWSA-N -1 0 326.481 3.732 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)Nc2cc(C(=O)[O-])ccn2)c1 ZINC001589464483 954889442 /nfs/dbraw/zinc/88/94/42/954889442.db2.gz QWHNHHBGUAZUCM-LLVKDONJSA-N -1 0 329.356 3.601 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)N(CC(=O)[O-])CC(C)(C)C ZINC001589465441 954901716 /nfs/dbraw/zinc/90/17/16/954901716.db2.gz UDLSLLCSQCZMFO-AWEZNQCLSA-N -1 0 335.444 3.538 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(SC(F)(F)F)nc1 ZINC001589480342 954969027 /nfs/dbraw/zinc/96/90/27/954969027.db2.gz RILWWIQTGDQKGC-UHFFFAOYSA-N -1 0 336.335 3.523 20 0 EHADRM CCC(CC)(CNC(=O)NC[C@H](c1ccccc1)C(C)C)C(=O)[O-] ZINC001589493432 955013887 /nfs/dbraw/zinc/01/38/87/955013887.db2.gz FNWOYJQJYBTMEY-INIZCTEOSA-N -1 0 334.460 3.616 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)N[C@H](c2ccc(F)cc2F)C2CC2)co1 ZINC001594967162 955070115 /nfs/dbraw/zinc/07/01/15/955070115.db2.gz YJQWEUNLMOQYSK-AATOQMJSSA-N -1 0 347.317 3.537 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)Nc2ccc(-c3ccccc3)cn2)co1 ZINC001594967882 955075127 /nfs/dbraw/zinc/07/51/27/955075127.db2.gz HNHBCUYQLBMZQS-CLFYSBASSA-N -1 0 334.331 3.692 20 0 EHADRM O=C([O-])c1cc(Oc2ccc3cc(Br)ccc3c2)ncn1 ZINC000386601777 972067760 /nfs/dbraw/zinc/06/77/60/972067760.db2.gz PKURZCNJQPFMPG-UHFFFAOYSA-N -1 0 345.152 3.883 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N[C@H](c1ccccc1F)C(C)C)C(=O)[O-] ZINC001603012535 972067726 /nfs/dbraw/zinc/06/77/26/972067726.db2.gz UDKXIYUMIIYHSF-BBRMVZONSA-N -1 0 338.423 3.569 20 0 EHADRM CC(C)CCOc1ccccc1CNC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001603024615 972083916 /nfs/dbraw/zinc/08/39/16/972083916.db2.gz ZNFJUCKMEPSBAL-GOSISDBHSA-N -1 0 347.455 3.619 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@]1(c2ccccc2)CC1(C)C)CC(=O)[O-] ZINC001603042475 972106058 /nfs/dbraw/zinc/10/60/58/972106058.db2.gz QFZMHGINZDFFQS-MGPUTAFESA-N -1 0 331.456 3.608 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@H](C)CCc1ccccc1F)CC(=O)[O-] ZINC001603042513 972106772 /nfs/dbraw/zinc/10/67/72/972106772.db2.gz RPBLNOYJNRSEBK-CABCVRRESA-N -1 0 337.435 3.648 20 0 EHADRM COc1cc(Cl)ccc1C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000387166325 972108589 /nfs/dbraw/zinc/10/85/89/972108589.db2.gz SUPKKNHVLWHFCW-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM CC(C)Cc1ccc([C@@H](NC(=O)N(C)C[C@H](C)C(=O)[O-])C2CC2)cc1 ZINC001603054444 972120996 /nfs/dbraw/zinc/12/09/96/972120996.db2.gz VGHNDZLAMPCVOH-KBXCAEBGSA-N -1 0 346.471 3.698 20 0 EHADRM C[C@@H](CSCc1ccccc1)C(=O)NCc1ccccc1C(=O)[O-] ZINC001589077382 955833897 /nfs/dbraw/zinc/83/38/97/955833897.db2.gz VOWGCJADUYWYMH-AWEZNQCLSA-N -1 0 343.448 3.571 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)[C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000852954408 955880377 /nfs/dbraw/zinc/88/03/77/955880377.db2.gz YJTDKCINWXAZDO-MSOLQXFVSA-N -1 0 329.440 3.674 20 0 EHADRM CC(F)(F)c1cc(F)ccc1NC(=O)NCCCCCC(=O)[O-] ZINC001589084542 955892472 /nfs/dbraw/zinc/89/24/72/955892472.db2.gz FFWXOMBADNWGBU-UHFFFAOYSA-N -1 0 332.322 3.704 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)c1ccc(C2CCOCC2)cc1 ZINC000864134715 955958057 /nfs/dbraw/zinc/95/80/57/955958057.db2.gz BJSSZQHKFIRIMB-UHFFFAOYSA-N -1 0 325.364 3.531 20 0 EHADRM C[C@@H](NC(=O)NC1(C2CCCCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589102505 956012815 /nfs/dbraw/zinc/01/28/15/956012815.db2.gz BEWGVXOXFIVGDI-VHDGCEQUSA-N -1 0 336.476 3.534 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc2occc2c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589108089 956038908 /nfs/dbraw/zinc/03/89/08/956038908.db2.gz FFNIWNXNAZRQHQ-DDTOSNHZSA-N -1 0 330.384 3.690 20 0 EHADRM C[C@@H](NC(=O)Nc1ccnc(C(=O)[O-])c1)c1cccc(C2CC2)c1 ZINC001589108171 956040150 /nfs/dbraw/zinc/04/01/50/956040150.db2.gz FLJZUJOUWUUNFW-LLVKDONJSA-N -1 0 325.368 3.540 20 0 EHADRM Cc1nc(-c2ccc(C)cc2)sc1C(=O)NC1(CC(=O)[O-])CCC1 ZINC000872712101 956058853 /nfs/dbraw/zinc/05/88/53/956058853.db2.gz INUUOUCRKZHTDP-UHFFFAOYSA-N -1 0 344.436 3.554 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)N(Cc2ccc(F)cc2)CC2CC2)co1 ZINC000901597896 956363719 /nfs/dbraw/zinc/36/37/19/956363719.db2.gz JZAPMSLCWNDZIL-BQYQJAHWSA-N -1 0 343.354 3.569 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000901652732 956403982 /nfs/dbraw/zinc/40/39/82/956403982.db2.gz WAOZKXFRCUCQER-RKDXNWHRSA-N -1 0 349.736 3.684 20 0 EHADRM Cc1oc(-c2ccccc2)cc1C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000901655058 956406154 /nfs/dbraw/zinc/40/61/54/956406154.db2.gz KTCYANSRJUYCKD-IUODEOHRSA-N -1 0 327.380 3.580 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001589161758 956419214 /nfs/dbraw/zinc/41/92/14/956419214.db2.gz BXCVDTVLYSJJHF-HIFRSBDPSA-N -1 0 327.465 3.510 20 0 EHADRM CC(C)[C@@H](NC(=O)c1ccc(O[C@@H](C)c2ccccc2)cc1)C(=O)[O-] ZINC001589168107 956440216 /nfs/dbraw/zinc/44/02/16/956440216.db2.gz WIEHOUKMJWCKSN-KBXCAEBGSA-N -1 0 341.407 3.666 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)c1coc(/C=C\C(=O)[O-])c1)C1CC1 ZINC000901800522 956480180 /nfs/dbraw/zinc/48/01/80/956480180.db2.gz ZJUFZMVRQJRWOA-CNZFZVQHSA-N -1 0 325.364 3.567 20 0 EHADRM Cc1ccccc1[C@H]1CCCN1C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC000901980187 956586127 /nfs/dbraw/zinc/58/61/27/956586127.db2.gz SBAMBKCDFAJRMA-KBOKABMXSA-N -1 0 325.364 3.663 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2sccc2F)ccc1Br ZINC000388878826 972196717 /nfs/dbraw/zinc/19/67/17/972196717.db2.gz RVORBGIHDCTIPI-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)/C=C/c2ccccc2C(F)(F)F)cc1 ZINC001594675256 956653439 /nfs/dbraw/zinc/65/34/39/956653439.db2.gz RWDSLXSXUOGWAW-MDZDMXLPSA-N -1 0 349.308 3.733 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCC(Cc2ccc(Cl)cc2)CC1 ZINC001589211419 956691259 /nfs/dbraw/zinc/69/12/59/956691259.db2.gz KXUHJXGAIAVRLR-LJQANCHMSA-N -1 0 349.858 3.622 20 0 EHADRM Cc1csc(C(=O)N2C[C@@H](C(=O)[O-])Cc3ccccc32)c1Cl ZINC000389114832 972207551 /nfs/dbraw/zinc/20/75/51/972207551.db2.gz NOXRJTMFJTUGJO-NSHDSACASA-N -1 0 335.812 3.614 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC001589216955 956728359 /nfs/dbraw/zinc/72/83/59/956728359.db2.gz BPOJCQZZEDGDGA-GOSISDBHSA-N -1 0 335.375 3.587 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)CCc1cccc(OC(F)F)c1 ZINC001594689478 956737101 /nfs/dbraw/zinc/73/71/01/956737101.db2.gz QFHCLDNXYBUYBC-UHFFFAOYSA-N -1 0 335.306 3.558 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC001589218562 956744941 /nfs/dbraw/zinc/74/49/41/956744941.db2.gz SEJFMHMGZYDJHG-LJQANCHMSA-N -1 0 345.395 3.558 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1ccc(COc2ccccc2)cc1 ZINC001589220068 956763429 /nfs/dbraw/zinc/76/34/29/956763429.db2.gz UXRPWVAAMAOMSJ-FQEVSTJZSA-N -1 0 339.391 3.705 20 0 EHADRM CC1(C)CCC(C(=O)Nc2sc3c(c2C(=O)[O-])CCOC3)CC1 ZINC001589220561 956772336 /nfs/dbraw/zinc/77/23/36/956772336.db2.gz AFAHDGXSLCIMFV-UHFFFAOYSA-N -1 0 337.441 3.674 20 0 EHADRM CC1(C)CCC[C@H]1N(Cc1ccccc1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001589225784 956792722 /nfs/dbraw/zinc/79/27/22/956792722.db2.gz HUUSUUVWKKWRGB-IXDOHACOSA-N -1 0 344.455 3.640 20 0 EHADRM C[C@]1(CC(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)CC1(Cl)Cl ZINC001589239407 956861610 /nfs/dbraw/zinc/86/16/10/956861610.db2.gz IDWPRJJVKQEFSL-NHYWBVRUSA-N -1 0 342.222 3.566 20 0 EHADRM CC[C@@H](C)NC(=O)c1ccc(NCc2ccc(C(=O)[O-])s2)cc1 ZINC000903686656 956865653 /nfs/dbraw/zinc/86/56/53/956865653.db2.gz RNQJUSMTKICEIV-LLVKDONJSA-N -1 0 332.425 3.587 20 0 EHADRM CC1(C)CCN(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])CCS1 ZINC000389401506 972223019 /nfs/dbraw/zinc/22/30/19/972223019.db2.gz PSYFNDYCKIWTFR-UHFFFAOYSA-N -1 0 342.848 3.788 20 0 EHADRM O=C([O-])CCCC(=O)Nc1cccc(OCCc2ccccc2)c1 ZINC000010470573 956887782 /nfs/dbraw/zinc/88/77/82/956887782.db2.gz NRDOXZVCRQJAOR-UHFFFAOYSA-N -1 0 327.380 3.502 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OCCOc1ccc(Cl)cc1 ZINC000011958275 956899909 /nfs/dbraw/zinc/89/99/09/956899909.db2.gz RCJBOHJPMDUJEY-OQFOIZHKSA-N -1 0 348.782 3.904 20 0 EHADRM CC1(CNC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)CCCCC1 ZINC001589245167 956904888 /nfs/dbraw/zinc/90/48/88/956904888.db2.gz WHEMCFBUOUILJY-JKSUJKDBSA-N -1 0 330.428 3.569 20 0 EHADRM CC1(CNC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)CCCCC1 ZINC001589245166 956905077 /nfs/dbraw/zinc/90/50/77/956905077.db2.gz WHEMCFBUOUILJY-HZPDHXFCSA-N -1 0 330.428 3.569 20 0 EHADRM CC(C)c1ccc(NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)cn1 ZINC000904257688 956946656 /nfs/dbraw/zinc/94/66/56/956946656.db2.gz BRYMNPLRYQDZBE-UHFFFAOYSA-N -1 0 343.427 3.711 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CSCc2cccc(Cl)c2)cc1 ZINC000013166794 956948492 /nfs/dbraw/zinc/94/84/92/956948492.db2.gz VPJWTORCEUKWIV-UHFFFAOYSA-N -1 0 335.812 3.910 20 0 EHADRM O=C([O-])C[C@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc(F)cc1 ZINC000013176356 956956843 /nfs/dbraw/zinc/95/68/43/956956843.db2.gz UNHRCVSOJORBFH-JCVNQNCUSA-N -1 0 347.773 3.825 20 0 EHADRM CSc1ccccc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1 ZINC000013180343 956965338 /nfs/dbraw/zinc/96/53/38/956965338.db2.gz NDYMMHFPRPOTJV-HNNXBMFYSA-N -1 0 329.421 3.663 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc(C3CC3)oc2C2CC2)ccc1O ZINC000907839298 956980168 /nfs/dbraw/zinc/98/01/68/956980168.db2.gz UEXMHGQMTWXQEF-UHFFFAOYSA-N -1 0 327.336 3.691 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000013257913 956994922 /nfs/dbraw/zinc/99/49/22/956994922.db2.gz IGCATPPBRCQNLA-MRXNPFEDSA-N -1 0 349.789 3.744 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)[C@H](F)CC2CCCCC2)c2ccccc21 ZINC001594725754 956996206 /nfs/dbraw/zinc/99/62/06/956996206.db2.gz DUBISWMOJUDUSJ-BRWVUGGUSA-N -1 0 333.403 3.724 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)c2ccc(F)c3occc32)c2ccccc21 ZINC001594727720 957020634 /nfs/dbraw/zinc/02/06/34/957020634.db2.gz UGHVAVAZLHDZMQ-HOCLYGCPSA-N -1 0 339.322 3.615 20 0 EHADRM Cc1ccc(C)c(SCc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)c1 ZINC000013318914 957025016 /nfs/dbraw/zinc/02/50/16/957025016.db2.gz RLCYREPJRLJWHK-UHFFFAOYSA-N -1 0 340.404 3.530 20 0 EHADRM O=C([O-])[C@H]1CCCN(c2ncnc3scc(-c4cccs4)c32)C1 ZINC000910309051 957044792 /nfs/dbraw/zinc/04/47/92/957044792.db2.gz JEFMQIXWLIDYTN-JTQLQIEISA-N -1 0 345.449 3.721 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)COc1ccc2ccccc2c1 ZINC000013391321 957048048 /nfs/dbraw/zinc/04/80/48/957048048.db2.gz HUQZBKWISLQNED-UHFFFAOYSA-N -1 0 335.359 3.864 20 0 EHADRM C[C@H]1C[C@@H](C(=O)Nc2scc(-c3ccsc3)c2C(=O)[O-])CO1 ZINC001589265690 957077495 /nfs/dbraw/zinc/07/74/95/957077495.db2.gz JMYJGTIUSQYZLU-WCBMZHEXSA-N -1 0 337.422 3.538 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)c1 ZINC000911529813 957077621 /nfs/dbraw/zinc/07/76/21/957077621.db2.gz FTYUWXYSELJRPQ-KRWDZBQOSA-N -1 0 349.390 3.629 20 0 EHADRM Cc1ccc(OCC(=O)N[C@@H](c2ccccc2)C(C)C)c(C(=O)[O-])c1 ZINC000013456780 957090285 /nfs/dbraw/zinc/09/02/85/957090285.db2.gz KSBYKXRPFRASLL-LJQANCHMSA-N -1 0 341.407 3.586 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)COc2ccc(CC)cc2)s1 ZINC000020333294 957137705 /nfs/dbraw/zinc/13/77/05/957137705.db2.gz FOBDTNUILVPSGB-UHFFFAOYSA-N -1 0 333.409 3.589 20 0 EHADRM O=C([O-])c1ccc(CSc2nnc(Nc3ccccc3)s2)o1 ZINC000020395222 957142059 /nfs/dbraw/zinc/14/20/59/957142059.db2.gz TYMOXMGAQROJJE-UHFFFAOYSA-N -1 0 333.394 3.865 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@H](C(=O)[O-])C2)c(Cl)c1Cl ZINC001118979156 957179291 /nfs/dbraw/zinc/17/92/91/957179291.db2.gz HSRIIAWAOZUMKU-VIFPVBQESA-N -1 0 331.199 3.630 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC000033463611 957185407 /nfs/dbraw/zinc/18/54/07/957185407.db2.gz HZPZGZOHDSCWOS-CXAGYDPISA-N -1 0 327.380 3.708 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCCc2ccc(Cl)cc2Cl)s1 ZINC000035185577 957200301 /nfs/dbraw/zinc/20/03/01/957200301.db2.gz YNOBSGWFBOMPMF-UHFFFAOYSA-N -1 0 344.219 3.726 20 0 EHADRM Cc1oc(COc2ccc(Br)cc2F)cc1C(=O)[O-] ZINC000035205845 957202010 /nfs/dbraw/zinc/20/20/10/957202010.db2.gz NJAKFLISUBNJAF-UHFFFAOYSA-N -1 0 329.121 3.767 20 0 EHADRM CCC[C@@](C)(NC(=O)CCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000036337941 957230998 /nfs/dbraw/zinc/23/09/98/957230998.db2.gz SFXCNYFXRIDULR-OAHLLOKOSA-N -1 0 332.227 3.686 20 0 EHADRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1CCCC1(F)F ZINC000389939150 972256151 /nfs/dbraw/zinc/25/61/51/972256151.db2.gz BRNIKEIMPDXKCR-SSDOTTSWSA-N -1 0 334.706 3.794 20 0 EHADRM Cc1ccc(CNC(=O)CCCC(=O)[O-])c(O[C@@H](C)CC(C)C)c1 ZINC001326692306 957328546 /nfs/dbraw/zinc/32/85/46/957328546.db2.gz GVMUATQVJMNPQT-HNNXBMFYSA-N -1 0 335.444 3.680 20 0 EHADRM CC(C)c1ccc(O[C@@H](C)CNC(=O)C2(C(=O)[O-])CCCCC2)cc1 ZINC001603167377 972264926 /nfs/dbraw/zinc/26/49/26/972264926.db2.gz ARSOQJUYEVOZAP-HNNXBMFYSA-N -1 0 347.455 3.729 20 0 EHADRM CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000054701769 957541722 /nfs/dbraw/zinc/54/17/22/957541722.db2.gz JVUIICIEERYWSV-HNNXBMFYSA-N -1 0 330.771 3.625 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCSc3cc(Cl)ccc32)C1 ZINC001574761357 957736769 /nfs/dbraw/zinc/73/67/69/957736769.db2.gz PPMOJPUSCAWOIT-WDEREUQCSA-N -1 0 339.844 3.670 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)O[C@@H]1CCC[C@H]1Cc1cccc(Cl)c1 ZINC001574770106 957752476 /nfs/dbraw/zinc/75/24/76/957752476.db2.gz FAWOJQQPMUOADI-LCGIIJARSA-N -1 0 336.815 3.705 20 0 EHADRM C[C@H](NC(=O)c1coc(/C=C\C(=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC001332419747 957759213 /nfs/dbraw/zinc/75/92/13/957759213.db2.gz GERLUSNERMMZAI-OMMCCPJFSA-N -1 0 348.424 3.622 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCCc3cc(F)c(F)c(F)c32)c1 ZINC001594283852 957762482 /nfs/dbraw/zinc/76/24/82/957762482.db2.gz GVRUPFFYAAMYBN-UHFFFAOYSA-N -1 0 349.308 3.704 20 0 EHADRM Cc1oc(CNC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000390577859 972294288 /nfs/dbraw/zinc/29/42/88/972294288.db2.gz DFNHVGLMHSCTRL-VIFPVBQESA-N -1 0 336.775 3.500 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CCC[C@H](c3ccccc3)CC2)nc1 ZINC001574796079 957819789 /nfs/dbraw/zinc/81/97/89/957819789.db2.gz LOTUQAPGEWBHNX-DOTOQJQBSA-N -1 0 338.407 3.626 20 0 EHADRM Cc1cc(C)c2c(c1)CN(C(=O)Nc1ccc(C(=O)[O-])cc1F)CC2 ZINC001594294605 957863527 /nfs/dbraw/zinc/86/35/27/957863527.db2.gz XQBPLRBMKHGOPR-UHFFFAOYSA-N -1 0 342.370 3.731 20 0 EHADRM Cc1cc(C)cc(Oc2ccc(CNC(=O)[C@@H](C)C(=O)[O-])cc2C)c1 ZINC001594297887 957880649 /nfs/dbraw/zinc/88/06/49/957880649.db2.gz YITQBMBKXXQVAA-OAHLLOKOSA-N -1 0 341.407 3.741 20 0 EHADRM COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)[C@H](C)C(=O)[O-] ZINC001594057782 958052440 /nfs/dbraw/zinc/05/24/40/958052440.db2.gz MWZYTPLJBOXCCW-NSHDSACASA-N -1 0 347.342 3.594 20 0 EHADRM Cc1cc(NC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc(C(F)(F)F)c1 ZINC001594317627 958085927 /nfs/dbraw/zinc/08/59/27/958085927.db2.gz MPQWNCMNLNGSPI-GXFFZTMASA-N -1 0 344.333 3.588 20 0 EHADRM COc1cc(NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c(C)cc1C ZINC001594064182 958124023 /nfs/dbraw/zinc/12/40/23/958124023.db2.gz WWWUSLMREWYKHZ-CYBMUJFWSA-N -1 0 336.432 3.713 20 0 EHADRM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)Cc1ccccc1Br ZINC000091780955 958152436 /nfs/dbraw/zinc/15/24/36/958152436.db2.gz LFIGBLDBDDHREH-JTQLQIEISA-N -1 0 338.201 3.933 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)/C=C/c2ccccc2Cl)cc1F ZINC000391208837 972324190 /nfs/dbraw/zinc/32/41/90/972324190.db2.gz IKTQHHRFZREJTP-AATRIKPKSA-N -1 0 337.709 3.968 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc(-c3ccccc3)ns2)C1 ZINC001355029105 958170999 /nfs/dbraw/zinc/17/09/99/958170999.db2.gz YJFVBENFDVLXMU-GOSISDBHSA-N -1 0 344.436 3.527 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)cc1Cl ZINC000391355276 972330512 /nfs/dbraw/zinc/33/05/12/972330512.db2.gz ADRDMIUPPJXGFR-AWEZNQCLSA-N -1 0 329.783 3.867 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)NCc2ccc(Cl)cc2)c1 ZINC000391360024 972331141 /nfs/dbraw/zinc/33/11/41/972331141.db2.gz DEZYYMQGKRPWII-UHFFFAOYSA-N -1 0 332.787 3.679 20 0 EHADRM COc1ccc([C@@H](NC(=O)C2(C(=O)[O-])CCCCC2)C2CCC2)cc1 ZINC001594080514 958260623 /nfs/dbraw/zinc/26/06/23/958260623.db2.gz MLNILVVXPXQHTL-KRWDZBQOSA-N -1 0 345.439 3.688 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC000391426291 972335744 /nfs/dbraw/zinc/33/57/44/972335744.db2.gz DTPZZFWXSMRALE-RNCFNFMXSA-N -1 0 335.787 3.720 20 0 EHADRM Cc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])C[C@H](C)O[C@@H]3C)o1 ZINC001594347770 958331406 /nfs/dbraw/zinc/33/14/06/958331406.db2.gz UEBPCTVBBSJZEB-DTWKUNHWSA-N -1 0 335.381 3.622 20 0 EHADRM Cc1ccc(CCC(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1Cl ZINC001594355606 958413953 /nfs/dbraw/zinc/41/39/53/958413953.db2.gz LYNPBWGZHHEAKG-QGZVFWFLSA-N -1 0 349.789 3.662 20 0 EHADRM COc1ccc(N(C(=O)/C=C\c2ccc(C(=O)[O-])o2)C(C)C)cc1F ZINC001594099537 958426094 /nfs/dbraw/zinc/42/60/94/958426094.db2.gz ONMBFQLKNQFJGP-TWGQIWQCSA-N -1 0 347.342 3.580 20 0 EHADRM Cc1ccc(CNC(=O)[C@@H](C(=O)[O-])C2CCCC2)c2ccccc12 ZINC001594358841 958430572 /nfs/dbraw/zinc/43/05/72/958430572.db2.gz VSGHOZMAHJMIAK-SFHVURJKSA-N -1 0 325.408 3.655 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)CSCc2ccc(C(=O)[O-])cc2)c1C ZINC000119879312 958467117 /nfs/dbraw/zinc/46/71/17/958467117.db2.gz VRUNSVSOXHKQAZ-UHFFFAOYSA-N -1 0 345.420 3.648 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(-c2sccc2Br)n1 ZINC000123902407 958511753 /nfs/dbraw/zinc/51/17/53/958511753.db2.gz LELLPTYSCMUUNU-UHFFFAOYSA-N -1 0 332.244 3.996 20 0 EHADRM Cc1ccc(NC(=O)C2(C(=O)[O-])CCCCC2)cc1OCC(F)F ZINC001594369338 958530361 /nfs/dbraw/zinc/53/03/61/958530361.db2.gz KXRPWXKYHYIMSG-UHFFFAOYSA-N -1 0 341.354 3.613 20 0 EHADRM Cc1ccc(NC(=O)Nc2cc(C(=O)[O-])ccn2)cc1OC(C)C ZINC001594373045 958556041 /nfs/dbraw/zinc/55/60/41/958556041.db2.gz XUSDFVWTEPBSPQ-UHFFFAOYSA-N -1 0 329.356 3.519 20 0 EHADRM COc1ccc2cc([C@H](C)OC(=O)[C@@H]3CC[C@H]3C(=O)[O-])ccc2c1 ZINC001594118198 958575741 /nfs/dbraw/zinc/57/57/41/958575741.db2.gz AOMZPLJPPUDRBH-YMRXKLBXSA-N -1 0 328.364 3.563 20 0 EHADRM C/C(=C/C(=O)N[C@@H](CC(C)C)C(=O)[O-])c1ccccc1C(F)(F)F ZINC001588480391 958586841 /nfs/dbraw/zinc/58/68/41/958586841.db2.gz JKKQGWJCWXSWBF-FPAJZGIOSA-N -1 0 343.345 3.724 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc(-c2cccs2)o1)c1ccc(F)cc1 ZINC001605729727 972360081 /nfs/dbraw/zinc/36/00/81/972360081.db2.gz FCFHZZQBXJUJFF-OAHLLOKOSA-N -1 0 345.351 3.703 20 0 EHADRM C/C(=C\c1ccccc1C(F)(F)F)CNc1cnn(CC(=O)[O-])c1 ZINC001588488478 958635898 /nfs/dbraw/zinc/63/58/98/958635898.db2.gz OQDJLWUNVJVRIM-IZZDOVSWSA-N -1 0 339.317 3.502 20 0 EHADRM Cc1ccc2nc(NC(=O)Nc3ccc(C(=O)[O-])c(C)c3)sc2n1 ZINC001594385522 958659600 /nfs/dbraw/zinc/65/96/00/958659600.db2.gz VYOYWZHCCLTPMQ-UHFFFAOYSA-N -1 0 342.380 3.650 20 0 EHADRM Cc1ccc2ncc(CN3Cc4ccccc4[C@H](C(=O)[O-])C3)cc2c1 ZINC001594385520 958659717 /nfs/dbraw/zinc/65/97/17/958659717.db2.gz VXEAHQUBIGVQRI-LJQANCHMSA-N -1 0 332.403 3.727 20 0 EHADRM Cc1sc(NC(=O)c2ccn(-c3ccccc3)n2)c(C(=O)[O-])c1C ZINC000391743646 972365540 /nfs/dbraw/zinc/36/55/40/972365540.db2.gz TZONFLULVMMNKP-UHFFFAOYSA-N -1 0 341.392 3.501 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000128669393 958676391 /nfs/dbraw/zinc/67/63/91/958676391.db2.gz BFASJTWIVQJXHA-QGZVFWFLSA-N -1 0 327.380 3.798 20 0 EHADRM Cc1ccc2occ(CC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c2c1 ZINC001594386387 958676749 /nfs/dbraw/zinc/67/67/49/958676749.db2.gz VRACPAMTNDWPLS-HNNXBMFYSA-N -1 0 331.412 3.679 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cc(Cl)ncc1Cl ZINC000129105486 958692468 /nfs/dbraw/zinc/69/24/68/958692468.db2.gz WILGDTFFIYKGHA-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM CC(C)(C)[C@H](NC(=O)Nc1cccnc1C(=O)[O-])c1ccccc1 ZINC001573391061 958698838 /nfs/dbraw/zinc/69/88/38/958698838.db2.gz PXBMHVINVSNHDR-OAHLLOKOSA-N -1 0 327.384 3.689 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC001573391023 958699587 /nfs/dbraw/zinc/69/95/87/958699587.db2.gz QFYVOBZPXRJGRM-YOEHRIQHSA-N -1 0 342.439 3.621 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1ccc2c(C)cc(=O)[nH]c2c1 ZINC001594390921 958717332 /nfs/dbraw/zinc/71/73/32/958717332.db2.gz JYDILTCDUUBSEF-UHFFFAOYSA-N -1 0 336.347 3.508 20 0 EHADRM COc1ccccc1[C@@H](CC(C)C)OC(=O)c1ccc(C(=O)[O-])cn1 ZINC001594140172 958729448 /nfs/dbraw/zinc/72/94/48/958729448.db2.gz CFAMPDSIHJRQLM-QGZVFWFLSA-N -1 0 343.379 3.733 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2sc(C)nc2C)cc1Cl ZINC000278705525 1032069002 /nfs/dbraw/zinc/06/90/02/1032069002.db2.gz NSEREBQSSMRUHA-UHFFFAOYSA-N -1 0 346.861 3.531 20 0 EHADRM Cc1cccc(C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)c1 ZINC000132310413 958781319 /nfs/dbraw/zinc/78/13/19/958781319.db2.gz JAHQUOSMHRHXFY-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM Cc1cccc(CC(=O)Nc2ccc(Br)c(C(=O)[O-])c2)c1 ZINC000132337205 958782883 /nfs/dbraw/zinc/78/28/83/958782883.db2.gz BIIYDKGZNXZJAM-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2cccc(OCC(=O)[O-])c2)C(C)C)c1 ZINC001594398926 958814861 /nfs/dbraw/zinc/81/48/61/958814861.db2.gz HBGKKNXPPIUGGS-LJQANCHMSA-N -1 0 341.407 3.586 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)Cc1c(Cl)cccc1Cl ZINC000136685549 958904363 /nfs/dbraw/zinc/90/43/63/958904363.db2.gz GOGSBNPCDQBVEB-LBPRGKRZSA-N -1 0 332.227 3.542 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)COc1cc(Cl)cc(Cl)c1 ZINC000136724133 958908246 /nfs/dbraw/zinc/90/82/46/958908246.db2.gz MEQRQIDRMCQBNO-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)CNc1cc(Cl)ccc1Cl ZINC000136908949 958910721 /nfs/dbraw/zinc/91/07/21/958910721.db2.gz JJZRQSXWQUMNCR-UHFFFAOYSA-N -1 0 339.178 3.742 20 0 EHADRM CC(C)(C)OC1CCC(NC(=O)Nc2cccc(CC(=O)[O-])c2)CC1 ZINC001573457869 958910536 /nfs/dbraw/zinc/91/05/36/958910536.db2.gz MPRCTIUKXVFKOX-UHFFFAOYSA-N -1 0 348.443 3.562 20 0 EHADRM Cc1sc(N(C)Cc2ccc(Br)cc2)nc1C(=O)[O-] ZINC000137273260 958921676 /nfs/dbraw/zinc/92/16/76/958921676.db2.gz QBZXDBYFMLKCNX-UHFFFAOYSA-N -1 0 341.230 3.549 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001573463022 958924282 /nfs/dbraw/zinc/92/42/82/958924282.db2.gz VOOARPSWHNBQIS-MRXNPFEDSA-N -1 0 329.371 3.679 20 0 EHADRM CC(C)(C)c1ccc(CCNC(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC001573463044 958925443 /nfs/dbraw/zinc/92/54/43/958925443.db2.gz WONXFTPPISNREX-UHFFFAOYSA-N -1 0 325.408 3.655 20 0 EHADRM Cc1ccccc1C(F)(F)CNC(=O)Nc1ccccc1C(=O)[O-] ZINC001594415584 958995685 /nfs/dbraw/zinc/99/56/85/958995685.db2.gz OEPSZXJROYEITA-UHFFFAOYSA-N -1 0 334.322 3.607 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC001573489735 959005239 /nfs/dbraw/zinc/00/52/39/959005239.db2.gz MYGZYWBHDIZFPW-QGZVFWFLSA-N -1 0 345.370 3.591 20 0 EHADRM Cc1ccccc1CC(C)(C)NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001594417267 959016411 /nfs/dbraw/zinc/01/64/11/959016411.db2.gz HGLAHQAVBZQQJN-UHFFFAOYSA-N -1 0 340.423 3.514 20 0 EHADRM C[C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)[C@H](C)C(C)(C)C ZINC001588551070 959018953 /nfs/dbraw/zinc/01/89/53/959018953.db2.gz PNNUQWWLKKZBLO-NXNVCVFFSA-N -1 0 331.456 3.632 20 0 EHADRM C[C@@H](C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1cn(C)c2ccccc12 ZINC001588552563 959034691 /nfs/dbraw/zinc/03/46/91/959034691.db2.gz UZNJCCRUCLKPTM-CZUORRHYSA-N -1 0 344.455 3.678 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(O)c(C(=O)[O-])c1)c1ccc(Cl)s1 ZINC001588558105 959077294 /nfs/dbraw/zinc/07/72/94/959077294.db2.gz QYOXFGPATLZZMT-SSDOTTSWSA-N -1 0 325.773 3.548 20 0 EHADRM CSc1cc(C)ccc1CNC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001594189500 959159548 /nfs/dbraw/zinc/15/95/48/959159548.db2.gz JPEKPPHFVMYCDU-UHFFFAOYSA-N -1 0 329.421 3.654 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)NC1(C(=O)[O-])CCCC1 ZINC001594189677 959162943 /nfs/dbraw/zinc/16/29/43/959162943.db2.gz LADCYKWXCCJQJT-UHFFFAOYSA-N -1 0 328.821 3.581 20 0 EHADRM Cc1cnc2c(NC(=O)NCCCCC(=O)[O-])cccc2c1Cl ZINC001594430314 959169945 /nfs/dbraw/zinc/16/99/45/959169945.db2.gz QOQNGAZHJROHCK-UHFFFAOYSA-N -1 0 335.791 3.573 20 0 EHADRM CSc1cc(NC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)ccc1Cl ZINC001594190435 959171223 /nfs/dbraw/zinc/17/12/23/959171223.db2.gz ZWSOOFBDHSCVLH-NXEZZACHSA-N -1 0 342.848 3.636 20 0 EHADRM CSc1ccc(/C=C\C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)s1 ZINC001594195275 959191614 /nfs/dbraw/zinc/19/16/14/959191614.db2.gz WYZUKRWDNPBXGU-PXAMLJHWSA-N -1 0 347.461 3.599 20 0 EHADRM Cc1cnccc1/C=C/C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001594433722 959203371 /nfs/dbraw/zinc/20/33/71/959203371.db2.gz PYHXFHPBAVPLKB-GORDUTHDSA-N -1 0 334.734 3.533 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)N2CCC[C@@](C)(C(=O)[O-])C2)c1 ZINC000392112489 972410548 /nfs/dbraw/zinc/41/05/48/972410548.db2.gz ANDFMHNFGOPROU-FZKQIMNGSA-N -1 0 334.416 3.583 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2)c(Cl)c1)C(=O)[O-] ZINC001594203738 959261733 /nfs/dbraw/zinc/26/17/33/959261733.db2.gz LNKZGDJHNUWBTL-SNVBAGLBSA-N -1 0 334.759 3.727 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2cc(Cl)nc3ccccc32)c1 ZINC000392150047 972416178 /nfs/dbraw/zinc/41/61/78/972416178.db2.gz WAYBSMIPOIXYNN-UHFFFAOYSA-N -1 0 344.729 3.978 20 0 EHADRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])cn1)c1ccc2c(c1)CCCC2 ZINC001594210374 959284168 /nfs/dbraw/zinc/28/41/68/959284168.db2.gz NXKFECGJJAXLNV-GFCCVEGCSA-N -1 0 325.364 3.577 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc3ccccc3c(Cl)n2)ccc1F ZINC000392153340 972417364 /nfs/dbraw/zinc/41/73/64/972417364.db2.gz ZSCXQNOUFAHGTD-UHFFFAOYSA-N -1 0 344.729 3.978 20 0 EHADRM CC(C)n1ncc2ccc(NC(=O)C3(C(=O)[O-])CCCCC3)cc21 ZINC001573577733 959338918 /nfs/dbraw/zinc/33/89/18/959338918.db2.gz ZGGPLYYRNAXZCW-UHFFFAOYSA-N -1 0 329.400 3.591 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OCCCCC1CCOCC1 ZINC000392187050 972423541 /nfs/dbraw/zinc/42/35/41/972423541.db2.gz SIFCATMOVJGRQT-SOFGYWHQSA-N -1 0 334.412 3.769 20 0 EHADRM CN(Cc1cccc2ccccc21)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000179966362 959436210 /nfs/dbraw/zinc/43/62/10/959436210.db2.gz PPXROZJDOANAQV-HOTGVXAUSA-N -1 0 325.408 3.689 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000181905687 959443430 /nfs/dbraw/zinc/44/34/30/959443430.db2.gz CFQKWPQPJCJURA-BZNIZROVSA-N -1 0 349.789 3.600 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000181905724 959444285 /nfs/dbraw/zinc/44/42/85/959444285.db2.gz CFQKWPQPJCJURA-BDJLRTHQSA-N -1 0 349.789 3.600 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccc(-c3nccs3)cc2)C1 ZINC000183964956 959461781 /nfs/dbraw/zinc/46/17/81/959461781.db2.gz SQJYWCPOMOUEQS-STQMWFEESA-N -1 0 330.409 3.640 20 0 EHADRM Cc1ccc(-n2cccn2)cc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000189663324 959510336 /nfs/dbraw/zinc/51/03/36/959510336.db2.gz ZSHQQNGHUWSHGW-UHFFFAOYSA-N -1 0 341.411 3.544 20 0 EHADRM Cc1ncc(NCc2ccc(C(=O)[O-])s2)cc1Br ZINC001594468573 959526569 /nfs/dbraw/zinc/52/65/69/959526569.db2.gz LNNNAKQUVZQTGE-UHFFFAOYSA-N -1 0 327.203 3.524 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2ccc3ccc(Cl)cc3n2)C1 ZINC000191204402 959545596 /nfs/dbraw/zinc/54/55/96/959545596.db2.gz VGCOCTHRAUDVKK-GFCCVEGCSA-N -1 0 346.814 3.605 20 0 EHADRM CCCc1ncc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)s1 ZINC000191403778 959560656 /nfs/dbraw/zinc/56/06/56/959560656.db2.gz XJWNPBSQKAPKBG-NSHDSACASA-N -1 0 332.425 3.611 20 0 EHADRM Cc1nccc2c(NC(=O)C3(C(=O)[O-])C(C)(C)C3(C)C)cccc12 ZINC001594471434 959563644 /nfs/dbraw/zinc/56/36/44/959563644.db2.gz ZPYUJDFKFSHTEM-UHFFFAOYSA-N -1 0 326.396 3.619 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2ccccc2OC(F)F)cc1)C(=O)[O-] ZINC000191426227 959565456 /nfs/dbraw/zinc/56/54/56/959565456.db2.gz ZIRCMJOJLQUBPN-LLVKDONJSA-N -1 0 349.333 3.804 20 0 EHADRM CSCc1ccccc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000191622199 959585214 /nfs/dbraw/zinc/58/52/14/959585214.db2.gz SFHUHXKEINXRNO-UHFFFAOYSA-N -1 0 329.421 3.819 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 ZINC000191616413 959585971 /nfs/dbraw/zinc/58/59/71/959585971.db2.gz VFXYZHVCAAHELT-IUCAKERBSA-N -1 0 347.745 3.771 20 0 EHADRM C[C@H](NC(=O)CC(C)(C)CC(=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000191646101 959586495 /nfs/dbraw/zinc/58/64/95/959586495.db2.gz SPEBZUSNFAIYMM-AWEZNQCLSA-N -1 0 340.423 3.817 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000192891141 959594743 /nfs/dbraw/zinc/59/47/43/959594743.db2.gz KAXRBXRRBNEUJH-LLVKDONJSA-N -1 0 343.876 3.929 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)C2(c3ccccc3)CCCCCC2)C1 ZINC001573653010 959652909 /nfs/dbraw/zinc/65/29/09/959652909.db2.gz OQIMUQLJXSUGCM-IBGZPJMESA-N -1 0 329.440 3.602 20 0 EHADRM CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001588643542 959717819 /nfs/dbraw/zinc/71/78/19/959717819.db2.gz SJLCHOTZPXFFJF-RDJZCZTQSA-N -1 0 347.455 3.732 20 0 EHADRM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N1CCC[C@@]1(C)C(=O)[O-] ZINC001594266623 959744546 /nfs/dbraw/zinc/74/45/46/959744546.db2.gz KXMJLGZFODPYJW-LIRRHRJNSA-N -1 0 332.444 3.531 20 0 EHADRM Cc1noc(-c2ccccc2)c1NC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC001594495448 959749717 /nfs/dbraw/zinc/74/97/17/959749717.db2.gz VIFQIAZYPHQZET-AWEZNQCLSA-N -1 0 345.399 3.518 20 0 EHADRM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC001594267370 959751283 /nfs/dbraw/zinc/75/12/83/959751283.db2.gz WNQGHVXCBNYSNB-PBHICJAKSA-N -1 0 332.444 3.531 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)CCCc1ccc(Cl)cc1 ZINC001588652484 959778033 /nfs/dbraw/zinc/77/80/33/959778033.db2.gz DLOXQPKHIISFRT-UHFFFAOYSA-N -1 0 325.836 3.622 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)c2cc(Cl)nc(Cl)c2)c1 ZINC000218323868 959785618 /nfs/dbraw/zinc/78/56/18/959785618.db2.gz OMPRXEAGGAHZCX-UHFFFAOYSA-N -1 0 345.569 3.992 20 0 EHADRM Cc1nc(NCCc2ccc(Br)s2)ccc1C(=O)[O-] ZINC000226262985 959873855 /nfs/dbraw/zinc/87/38/55/959873855.db2.gz NWHPBCJUVYZTOE-UHFFFAOYSA-N -1 0 341.230 3.567 20 0 EHADRM C[C@@H]1CCCN(C(=O)CCc2ccc(-c3ccccc3)o2)[C@@H]1C(=O)[O-] ZINC001573725146 959891984 /nfs/dbraw/zinc/89/19/84/959891984.db2.gz BTXVRNUZWFJLBV-KUHUBIRLSA-N -1 0 341.407 3.591 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2Cc1cc(Br)cs1 ZINC000228531413 960022131 /nfs/dbraw/zinc/02/21/31/960022131.db2.gz XUMUIDRJBGDEMV-UHFFFAOYSA-N -1 0 338.226 3.772 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2ccccc2C(F)(F)F)CCCCC1 ZINC000392517656 972492861 /nfs/dbraw/zinc/49/28/61/972492861.db2.gz OBBOCXJNUBCGCI-UHFFFAOYSA-N -1 0 344.333 3.862 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2cnc(Cl)c3ccccc23)c1 ZINC000392518662 972493866 /nfs/dbraw/zinc/49/38/66/972493866.db2.gz HXATYOHEZKVQDZ-UHFFFAOYSA-N -1 0 340.766 3.768 20 0 EHADRM Cc1cc(C)cc(N(C)C(=O)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC000392533085 972495943 /nfs/dbraw/zinc/49/59/43/972495943.db2.gz PMDCDVIZOPJODR-UHFFFAOYSA-N -1 0 326.396 3.989 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)c1ccc(Oc2ccccc2)o1 ZINC001588654013 960407094 /nfs/dbraw/zinc/40/70/94/960407094.db2.gz QJJKUPZNTBXHFR-UHFFFAOYSA-N -1 0 331.368 3.645 20 0 EHADRM Cc1ccc(C2=CCN(C(=O)c3ccc(C(=O)[O-])s3)CC2)cc1 ZINC001123277423 960433627 /nfs/dbraw/zinc/43/36/27/960433627.db2.gz IQWWHZCZUVMTEB-UHFFFAOYSA-N -1 0 327.405 3.684 20 0 EHADRM C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCC(=O)C[C@H]3C)c2C(=O)[O-])C1 ZINC001573737742 960461923 /nfs/dbraw/zinc/46/19/23/960461923.db2.gz CIFFOVZCWVSWHU-FOGDFJRCSA-N -1 0 349.452 3.515 20 0 EHADRM C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4ccnc(C(=O)[O-])c4)cc3c2C1 ZINC001573738534 960470600 /nfs/dbraw/zinc/47/06/00/960470600.db2.gz HOMUMWQPACAVIG-LLVKDONJSA-N -1 0 349.390 3.638 20 0 EHADRM C[C@@H]1CN(C(=O)[C@@]2(C(=O)[O-])CC=CCC2)CCc2ccc(Cl)cc21 ZINC001573738969 960473808 /nfs/dbraw/zinc/47/38/08/960473808.db2.gz MGYRGGIPKWDANP-BFUOFWGJSA-N -1 0 347.842 3.639 20 0 EHADRM C[C@@H](CC(=O)N1CCCC[C@H]1c1ccc(C(=O)[O-])n1C)c1ccco1 ZINC001123398087 960481541 /nfs/dbraw/zinc/48/15/41/960481541.db2.gz KBSXFNCUECMNLN-ZFWWWQNUSA-N -1 0 344.411 3.564 20 0 EHADRM C[C@H](Oc1cccc2ccccc21)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC001603280392 972506983 /nfs/dbraw/zinc/50/69/83/972506983.db2.gz SZNUDLGWTWQIRR-LIRRHRJNSA-N -1 0 349.386 3.549 20 0 EHADRM Cc1ccc(C)c(OCCC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)c1 ZINC000392669471 972507235 /nfs/dbraw/zinc/50/72/35/972507235.db2.gz HWEYZFNKLVPONR-UHFFFAOYSA-N -1 0 349.333 3.687 20 0 EHADRM Cc1cc(C)c(NCc2cccc(C(=O)[O-])n2)c(Br)c1 ZINC000235829017 960508116 /nfs/dbraw/zinc/50/81/16/960508116.db2.gz HYNNROQPPUSBAP-UHFFFAOYSA-N -1 0 335.201 3.771 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)CCc1cccc2ccccc21 ZINC001574266356 960585699 /nfs/dbraw/zinc/58/56/99/960585699.db2.gz KVWWAUHFQRYJAS-RDTXWAMCSA-N -1 0 325.408 3.627 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)N[C@H](CC1CC1)c1ccccc1 ZINC001605806616 972519068 /nfs/dbraw/zinc/51/90/68/972519068.db2.gz JFOPNTQCYNTGRV-GOSISDBHSA-N -1 0 338.407 3.725 20 0 EHADRM C[C@H](NC(=O)[C@]1(C(=O)[O-])CC1(C)C)c1ccc(Cl)c(Cl)c1 ZINC001574286644 960662722 /nfs/dbraw/zinc/66/27/22/960662722.db2.gz VGNDORCWXXDPQY-AYVTZFPOSA-N -1 0 330.211 3.672 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001574296109 960694647 /nfs/dbraw/zinc/69/46/47/960694647.db2.gz DAVBLCTUXRZXFN-OAHLLOKOSA-N -1 0 345.301 3.575 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000236617165 960717885 /nfs/dbraw/zinc/71/78/85/960717885.db2.gz WIDWJWDXRSWVRC-RDBSUJKOSA-N -1 0 344.238 3.712 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)c3ccc(C(=O)[O-])o3)cc2s1 ZINC000236621484 960717993 /nfs/dbraw/zinc/71/79/93/960717993.db2.gz XVLZFQRBGFMCFU-UHFFFAOYSA-N -1 0 330.365 3.963 20 0 EHADRM Cc1ccc(CC(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)cc1 ZINC000236625800 960719354 /nfs/dbraw/zinc/71/93/54/960719354.db2.gz HIYJQPNLRFIEMF-UHFFFAOYSA-N -1 0 327.380 3.662 20 0 EHADRM Cc1noc(C)c1[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000236629009 960720228 /nfs/dbraw/zinc/72/02/28/960720228.db2.gz PFPLRXKDRSFINN-JTQLQIEISA-N -1 0 346.383 3.519 20 0 EHADRM CC(C)c1ccc(CCC(=O)Nc2cccc(OCC(=O)[O-])c2)cc1 ZINC000236640550 960721694 /nfs/dbraw/zinc/72/16/94/960721694.db2.gz LMFDSMVCMFDUNU-UHFFFAOYSA-N -1 0 341.407 3.845 20 0 EHADRM CCCCCOc1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000236771259 960755630 /nfs/dbraw/zinc/75/56/30/960755630.db2.gz CFWWFRMDBGKRKI-INIZCTEOSA-N -1 0 347.455 3.973 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)C(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000236801651 960761077 /nfs/dbraw/zinc/76/10/77/960761077.db2.gz PYFINTBULOJYFN-ZDUSSCGKSA-N -1 0 327.380 3.914 20 0 EHADRM CC[C@@H](CNC(=O)/C(C)=C\c1c(Cl)cccc1Cl)C(=O)[O-] ZINC001573794820 960764199 /nfs/dbraw/zinc/76/41/99/960764199.db2.gz GHRNDQMAPFEZBQ-RNKPRXRFSA-N -1 0 330.211 3.624 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)c1ccc(CSc2ccccc2)cc1 ZINC000236829383 960767145 /nfs/dbraw/zinc/76/71/45/960767145.db2.gz HJZSKOGZVGHSFL-UHFFFAOYSA-N -1 0 343.448 3.916 20 0 EHADRM CCC(CC)(CNC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000236848900 960774767 /nfs/dbraw/zinc/77/47/67/960774767.db2.gz KWOOKUFZZHETIM-UHFFFAOYSA-N -1 0 339.435 3.903 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000236860625 960779442 /nfs/dbraw/zinc/77/94/42/960779442.db2.gz OUMSECLACONOBG-LLVKDONJSA-N -1 0 336.819 3.989 20 0 EHADRM CCCc1ccc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000236915672 960797652 /nfs/dbraw/zinc/79/76/52/960797652.db2.gz ZKEJMVFVNWVYOM-KBXCAEBGSA-N -1 0 325.408 3.831 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000263184707 1125474499 /nfs/dbraw/zinc/47/44/99/1125474499.db2.gz URRUTFUHBYSKCQ-GOEBONIOSA-N -1 0 338.407 3.928 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NCCCc2cccc(Cl)c2)c1 ZINC001574318276 960808059 /nfs/dbraw/zinc/80/80/59/960808059.db2.gz VRHITIRODPZXJW-UHFFFAOYSA-N -1 0 331.799 3.709 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000237027416 960842613 /nfs/dbraw/zinc/84/26/13/960842613.db2.gz PCAIAWVXRRDCLP-TXPKVOOTSA-N -1 0 331.456 3.920 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC001573809965 960879990 /nfs/dbraw/zinc/87/99/90/960879990.db2.gz ZUOVPHGVJDRTIT-CQSZACIVSA-N -1 0 327.380 3.606 20 0 EHADRM Cc1cc(F)c(C(=O)N2CCCc3cc(C(=O)[O-])ccc32)cc1F ZINC001574331157 960890212 /nfs/dbraw/zinc/89/02/12/960890212.db2.gz YVEGGZJNBGNFFV-UHFFFAOYSA-N -1 0 331.318 3.564 20 0 EHADRM COCc1cccc(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)c1 ZINC000237265921 960897083 /nfs/dbraw/zinc/89/70/83/960897083.db2.gz IUNWNTXNXWOHPX-UHFFFAOYSA-N -1 0 341.388 3.998 20 0 EHADRM Cc1cc(NC(=O)N2CC(C)(C)[C@H]2c2cccnc2)ccc1C(=O)[O-] ZINC001574337879 960914297 /nfs/dbraw/zinc/91/42/97/960914297.db2.gz NMQVSSUSSOZQSK-MRXNPFEDSA-N -1 0 339.395 3.703 20 0 EHADRM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001573813657 960916639 /nfs/dbraw/zinc/91/66/39/960916639.db2.gz OCPBVTYKXTWIAR-XWTMOSNGSA-N -1 0 329.440 3.672 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)Nc1ccc2c(c1)CCC2)C(=O)[O-] ZINC000237385441 960924987 /nfs/dbraw/zinc/92/49/87/960924987.db2.gz MFKBPUPRNOGLPN-GFCCVEGCSA-N -1 0 341.432 3.993 20 0 EHADRM C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCCCCCC(=O)[O-] ZINC000237460070 960938424 /nfs/dbraw/zinc/93/84/24/960938424.db2.gz XDQOITCCRJEIHC-SNVBAGLBSA-N -1 0 348.226 3.522 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)Nc1ccc(F)cc1F)C(=O)[O-] ZINC000237564264 960963108 /nfs/dbraw/zinc/96/31/08/960963108.db2.gz PWXIQTVTMOPOLC-VIFPVBQESA-N -1 0 337.347 3.782 20 0 EHADRM Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000237590536 960969529 /nfs/dbraw/zinc/96/95/29/960969529.db2.gz OGMGHYYHPYSNHN-NSHDSACASA-N -1 0 333.771 3.753 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2ccc(Cn3cccc3)cc2)cc1 ZINC001320090761 960973247 /nfs/dbraw/zinc/97/32/47/960973247.db2.gz MDQIGPCWYIVFTN-UHFFFAOYSA-N -1 0 348.402 3.806 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)c1ccccc1SCc1cccs1 ZINC000237636893 960981072 /nfs/dbraw/zinc/98/10/72/960981072.db2.gz UXIDECUSUUMYAO-LLVKDONJSA-N -1 0 335.450 3.633 20 0 EHADRM Cc1ccc2[nH]c(C(=O)NCC3(C(=O)[O-])CCCCC3)c(Cl)c2c1 ZINC001320758828 960985999 /nfs/dbraw/zinc/98/59/99/960985999.db2.gz HUHKHPIUEFGPIA-UHFFFAOYSA-N -1 0 348.830 3.895 20 0 EHADRM Cc1ccc(CCC(=O)N[C@H](CC(=O)[O-])c2cccs2)c(C)c1 ZINC000237686168 960996100 /nfs/dbraw/zinc/99/61/00/960996100.db2.gz LCVODIKBHLWTNB-OAHLLOKOSA-N -1 0 331.437 3.630 20 0 EHADRM Cc1ccc(CCCC(=O)Nc2ccc(OCC(=O)[O-])cc2C)cc1 ZINC000237700092 960999653 /nfs/dbraw/zinc/99/96/53/960999653.db2.gz YHXWFHZUOXUIEV-UHFFFAOYSA-N -1 0 341.407 3.728 20 0 EHADRM Cc1ccc(C(C)(C)CN(C)C(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC001574356860 961005596 /nfs/dbraw/zinc/00/55/96/961005596.db2.gz HAHLZZQFVAFCTL-BENRWUELSA-N -1 0 341.407 3.736 20 0 EHADRM CCCc1ccc(NC(=O)c2cc(C(=O)[O-])nn2-c2ccccc2)cc1 ZINC001323492225 961017869 /nfs/dbraw/zinc/01/78/69/961017869.db2.gz PNBWMCOQOZGJAJ-UHFFFAOYSA-N -1 0 349.390 3.775 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)CSCc1cccs1)c1ccccc1 ZINC001323489126 961017884 /nfs/dbraw/zinc/01/78/84/961017884.db2.gz XXVAUDPWQBIIHS-MLGOLLRUSA-N -1 0 349.477 3.560 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1c(F)cccc1Cl ZINC000237764320 961018439 /nfs/dbraw/zinc/01/84/39/961018439.db2.gz NSAPSNRDMBSVQF-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM Cc1cc(NC(=O)[C@H]2SCCc3ccccc32)ccc1C(=O)[O-] ZINC000237822760 961030347 /nfs/dbraw/zinc/03/03/47/961030347.db2.gz MZCLRRRDSHLHSF-INIZCTEOSA-N -1 0 327.405 3.662 20 0 EHADRM O=C([O-])CCCCCNC(=O)CCOc1cc(Cl)ccc1Cl ZINC001325058889 961048681 /nfs/dbraw/zinc/04/86/81/961048681.db2.gz XUWNEJYHEAVMQR-UHFFFAOYSA-N -1 0 348.226 3.524 20 0 EHADRM Cc1ccc(Cl)c2sc(NC(=O)c3ccc(C(=O)[O-])nc3)nc21 ZINC001574368367 961056480 /nfs/dbraw/zinc/05/64/80/961056480.db2.gz XNZDBPHKSJYABP-UHFFFAOYSA-N -1 0 347.783 3.604 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)CSc2ccccc2Cl)C1 ZINC000238002960 961071347 /nfs/dbraw/zinc/07/13/47/961071347.db2.gz BPNIFAONQADTKE-GFCCVEGCSA-N -1 0 341.860 3.536 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1nc(-c2ccccc2)oc1C(C)C)C(=O)[O-] ZINC001326172094 961073218 /nfs/dbraw/zinc/07/32/18/961073218.db2.gz IXJTUYIYNCEHKC-JSGCOSHPSA-N -1 0 344.411 3.694 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)cn1 ZINC000238027209 961081277 /nfs/dbraw/zinc/08/12/77/961081277.db2.gz RFPWJRIRJXOSHN-KRWDZBQOSA-N -1 0 342.370 3.580 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2CCCC[C@H]2Cc2ccccc2)o1 ZINC000238037097 961084926 /nfs/dbraw/zinc/08/49/26/961084926.db2.gz YRYHDNZNBVJBRO-GJZGRUSLSA-N -1 0 327.380 3.509 20 0 EHADRM O=C([O-])CCCCCNC(=O)/C=C/c1ccc2ccc(Cl)cc2n1 ZINC000238156263 961134704 /nfs/dbraw/zinc/13/47/04/961134704.db2.gz HDGBWLWSPODOHV-MDZDMXLPSA-N -1 0 346.814 3.663 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1cc(Cl)cc(Cl)n1 ZINC001574387709 961140089 /nfs/dbraw/zinc/14/00/89/961140089.db2.gz HMIXKVJEHVINCY-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM CC(C)(C)c1ccc(-c2cc(NC(=O)[C@H]3CC[C@H]3C(=O)[O-])on2)cc1 ZINC001588739230 961146961 /nfs/dbraw/zinc/14/69/61/961146961.db2.gz HGWULSXBPDPLTC-UONOGXRCSA-N -1 0 342.395 3.688 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1cc(-c2ccc(F)cc2)no1 ZINC001574389017 961153076 /nfs/dbraw/zinc/15/30/76/961153076.db2.gz IEBQNQFEQLQGES-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCC(Cc3cccc(F)c3)CC2)c1 ZINC000238204533 961159602 /nfs/dbraw/zinc/15/96/02/961159602.db2.gz QMDYWAZCFMHGMF-UHFFFAOYSA-N -1 0 341.382 3.619 20 0 EHADRM Cc1cccc([C@H](NC(=O)CC(C)(C)c2ccccc2)C(=O)[O-])c1 ZINC001574390373 961170406 /nfs/dbraw/zinc/17/04/06/961170406.db2.gz VWCGOCIHLSOFOK-SFHVURJKSA-N -1 0 325.408 3.605 20 0 EHADRM Cc1cccnc1/C=C/C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001574408291 961270679 /nfs/dbraw/zinc/27/06/79/961270679.db2.gz WORMTLFLWJLINT-VOTSOKGWSA-N -1 0 334.734 3.533 20 0 EHADRM CC(C)(CNC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)C1CCCC1 ZINC001588779170 961293262 /nfs/dbraw/zinc/29/32/62/961293262.db2.gz JXVIZILZTOXPFG-QGZVFWFLSA-N -1 0 344.455 3.596 20 0 EHADRM Cc1coc2ccc(NC(=O)N[C@H](Cc3ccccc3)C(=O)[O-])cc12 ZINC001574412453 961299730 /nfs/dbraw/zinc/29/97/30/961299730.db2.gz LKMMUYRAKOZAHZ-MRXNPFEDSA-N -1 0 338.363 3.559 20 0 EHADRM Cc1csc(CCC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)n1 ZINC001574415521 961309814 /nfs/dbraw/zinc/30/98/14/961309814.db2.gz DSRIDVVYIPAUHK-UHFFFAOYSA-N -1 0 342.779 3.514 20 0 EHADRM CCc1ccc(CCC(=O)Nc2ccc(C(=O)[O-])c(OC)c2)cc1 ZINC000261604725 961382846 /nfs/dbraw/zinc/38/28/46/961382846.db2.gz CKOPPMPGANKSPP-UHFFFAOYSA-N -1 0 327.380 3.527 20 0 EHADRM COc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)ccc1C(=O)[O-] ZINC000261728963 961389053 /nfs/dbraw/zinc/38/90/53/961389053.db2.gz RNNXGANYRSJRHN-UHFFFAOYSA-N -1 0 329.396 3.548 20 0 EHADRM C[C@]12CC3CC(C(=O)N4CCC(CC(=O)[O-])CC4)(C1)C[C@@](C)(C3)C2 ZINC000261800496 961393305 /nfs/dbraw/zinc/39/33/05/961393305.db2.gz ZZGKQEWPMMFKQP-LGMBCPCJSA-N -1 0 333.472 3.696 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)CCCC(=O)c2ccccc2)c1 ZINC001331924213 961411523 /nfs/dbraw/zinc/41/15/23/961411523.db2.gz IUVVQLVBJKJUQA-UHFFFAOYSA-N -1 0 339.391 3.696 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)C[C@@H]2CCCc3ccccc32)Cc2ccccc21 ZINC000262062509 961424267 /nfs/dbraw/zinc/42/42/67/961424267.db2.gz BWOPODGTEWRSNS-JXFKEZNVSA-N -1 0 349.430 3.707 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCC(c2cccc3ccccc32)CC1 ZINC000262152369 961504364 /nfs/dbraw/zinc/50/43/64/961504364.db2.gz PIEAWTWSTAXRER-RBUKOAKNSA-N -1 0 337.419 3.657 20 0 EHADRM C[C@H]1C[C@@H]1CNC(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000262197654 961543771 /nfs/dbraw/zinc/54/37/71/961543771.db2.gz UFEWCVAUYFLMSP-NWDGAFQWSA-N -1 0 345.420 3.656 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N[C@@H]1C[C@H]1c1ccccc1)C(=O)[O-] ZINC000262207063 961554769 /nfs/dbraw/zinc/55/47/69/961554769.db2.gz VHIAZRGQENXGEX-VBNZEHGJSA-N -1 0 341.432 3.538 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1cccc(C(=O)[O-])n1)C1CC1 ZINC000262239835 961583892 /nfs/dbraw/zinc/58/38/92/961583892.db2.gz ZQYBQTAHFOHXGC-NSHDSACASA-N -1 0 344.798 3.799 20 0 EHADRM Cc1cccc(OCCCC(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC000262252985 961595796 /nfs/dbraw/zinc/59/57/96/961595796.db2.gz QILCBMWTZCLULJ-UHFFFAOYSA-N -1 0 341.407 3.810 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC001573937011 961610088 /nfs/dbraw/zinc/61/00/88/961610088.db2.gz ODRPPRDVYSIVBT-CPCISQLKSA-N -1 0 337.725 3.588 20 0 EHADRM CCc1ccc([C@H](C)NC(=O)N2CCC[C@](CC)(C(=O)[O-])C2)cc1 ZINC001573957004 961675767 /nfs/dbraw/zinc/67/57/67/961675767.db2.gz STBNOVDIVDMPJW-LIRRHRJNSA-N -1 0 332.444 3.596 20 0 EHADRM CC(C)[C@H](CNc1cc(SCc2ccccc2)ncn1)C(=O)[O-] ZINC001588831251 961724460 /nfs/dbraw/zinc/72/44/60/961724460.db2.gz OEKOPDWCNZTHEN-AWEZNQCLSA-N -1 0 331.441 3.538 20 0 EHADRM CCOc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)cc1 ZINC000262454336 961729387 /nfs/dbraw/zinc/72/93/87/961729387.db2.gz WWFRHGJUGNCOAX-UHFFFAOYSA-N -1 0 343.379 3.823 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)Cc1csc(C(C)(C)C)n1 ZINC000262498515 961752763 /nfs/dbraw/zinc/75/27/63/961752763.db2.gz KJTQPLXTBYIONS-UHFFFAOYSA-N -1 0 346.452 3.937 20 0 EHADRM C[C@@H](CNC(=O)c1ccccc1S[C@H](C)C(=O)[O-])c1ccccc1 ZINC000262656065 961795939 /nfs/dbraw/zinc/79/59/39/961795939.db2.gz SSPRXJIZNVKHKO-UONOGXRCSA-N -1 0 343.448 3.785 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N(Cc2ccccc2)CC2CCC2)CC1 ZINC000262679690 961804962 /nfs/dbraw/zinc/80/49/62/961804962.db2.gz AFIPCJZFPFGQLN-IYARVYRRSA-N -1 0 329.440 3.706 20 0 EHADRM O=C([O-])[C@@H](Cc1ccccc1)NCc1ccc(CSC(F)F)o1 ZINC000262708125 961816750 /nfs/dbraw/zinc/81/67/50/961816750.db2.gz OBZXEVBYJVPXKU-CQSZACIVSA-N -1 0 341.379 3.521 20 0 EHADRM Cc1cccc(CN(C)C(=O)c2ccccc2S[C@H](C)C(=O)[O-])c1 ZINC000262750159 961847259 /nfs/dbraw/zinc/84/72/59/961847259.db2.gz NDUBPLFJSLMKEH-CQSZACIVSA-N -1 0 343.448 3.832 20 0 EHADRM COc1ccc(N(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)[C@H](C)C2CC2)cc1 ZINC000262755767 961851568 /nfs/dbraw/zinc/85/15/68/961851568.db2.gz YXZSNJBVSWTQRJ-FVQBIDKESA-N -1 0 345.439 3.718 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)CCCc2ccsc2)c2ccccc21 ZINC001574524248 961865904 /nfs/dbraw/zinc/86/59/04/961865904.db2.gz IXPROZROWMIPHL-HZPDHXFCSA-N -1 0 329.421 3.500 20 0 EHADRM O=C([O-])CC1(NC(=O)Cc2csc3ccc(Cl)cc23)CCC1 ZINC000262798124 961873993 /nfs/dbraw/zinc/87/39/93/961873993.db2.gz RCGPUXFGRQLDAE-UHFFFAOYSA-N -1 0 337.828 3.611 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1c(C)coc1CC(=O)[O-] ZINC000262816246 961882828 /nfs/dbraw/zinc/88/28/28/961882828.db2.gz ADKKGZOVTZGISP-MRXNPFEDSA-N -1 0 343.423 3.617 20 0 EHADRM CSc1ccc(NC(=O)c2cnc(C3CC3)s2)cc1C(=O)[O-] ZINC001335019377 961888563 /nfs/dbraw/zinc/88/85/63/961888563.db2.gz RDMZQNGHMLGNIF-UHFFFAOYSA-N -1 0 334.422 3.693 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])c1 ZINC000262828423 961894379 /nfs/dbraw/zinc/89/43/79/961894379.db2.gz QPRGHMZIDNHEDS-MLGOLLRUSA-N -1 0 341.860 3.825 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000262828753 961894507 /nfs/dbraw/zinc/89/45/07/961894507.db2.gz BCCSZRKQEIOGFO-VXGBXAGGSA-N -1 0 345.370 3.502 20 0 EHADRM O=C([O-])c1ccc(COC(=O)CO[C@@H]2CCCc3ccccc32)cc1 ZINC001574531446 961898290 /nfs/dbraw/zinc/89/82/90/961898290.db2.gz JMJNWRMQSYIISU-GOSISDBHSA-N -1 0 340.375 3.522 20 0 EHADRM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001574015721 961943224 /nfs/dbraw/zinc/94/32/24/961943224.db2.gz JELQXBNNSAINAL-CQSZACIVSA-N -1 0 343.345 3.555 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)c2ccsc2C(F)F)c2ccccc21 ZINC001574558119 961999999 /nfs/dbraw/zinc/99/99/99/961999999.db2.gz NUEHNYNIWGKQBS-NWDGAFQWSA-N -1 0 337.347 3.729 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CCC[C@@H](C)c2ccccc21 ZINC000262918549 962000632 /nfs/dbraw/zinc/00/06/32/962000632.db2.gz KGYDGOCFGIECMV-GFCCVEGCSA-N -1 0 327.380 3.759 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@](C)(C(=O)[O-])C1)Cc1ccc(Cl)cc1 ZINC000262920900 962002106 /nfs/dbraw/zinc/00/21/06/962002106.db2.gz FQANHKARYWJIHI-UGSOOPFHSA-N -1 0 337.847 3.622 20 0 EHADRM CC[C@H](CCc1ccccc1)NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001339924954 962085442 /nfs/dbraw/zinc/08/54/42/962085442.db2.gz DTJODZAIUSYHKO-ZWKOTPCHSA-N -1 0 346.471 3.684 20 0 EHADRM CC(C)CN(CCc1ccccc1)C(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001588871335 962089269 /nfs/dbraw/zinc/08/92/69/962089269.db2.gz YLHCZIXFAIMYBY-HXUWFJFHSA-N -1 0 329.440 3.525 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)CCc2ccccc2C)cc1 ZINC001340563424 962100976 /nfs/dbraw/zinc/10/09/76/962100976.db2.gz KHPQRJFYUISYEL-GOSISDBHSA-N -1 0 325.408 3.568 20 0 EHADRM CC(C)CO[C@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001588875807 962121623 /nfs/dbraw/zinc/12/16/23/962121623.db2.gz YBAMUIKAILRKGC-GHMZBOCLSA-N -1 0 339.457 3.571 20 0 EHADRM CC(C)C[C@@H](NC(=O)[C@H]1CC[C@@H]1c1ccc(Cl)cc1F)C(=O)[O-] ZINC001588881375 962153625 /nfs/dbraw/zinc/15/36/25/962153625.db2.gz KXEWNBAOUAAXDZ-OSAQELSMSA-N -1 0 341.810 3.588 20 0 EHADRM CC(C)C[C@@H](NC(=O)C(F)(F)c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001588881467 962154613 /nfs/dbraw/zinc/15/46/13/962154613.db2.gz XNUHTJJJWAIYAA-CQSZACIVSA-N -1 0 341.398 3.691 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)CCCOCc2ccccc2)cc1 ZINC000263039062 962162103 /nfs/dbraw/zinc/16/21/03/962162103.db2.gz CVCVIRIXCVDSKT-HNNXBMFYSA-N -1 0 341.407 3.810 20 0 EHADRM C[C@H](CCC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-])c1ccccc1 ZINC000263046598 962175658 /nfs/dbraw/zinc/17/56/58/962175658.db2.gz FCRZKAXCYFLFPB-FOIQADDNSA-N -1 0 337.419 3.781 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(C(=O)[C@@H]2CC23CCCC3)CC1 ZINC000263047719 962178046 /nfs/dbraw/zinc/17/80/46/962178046.db2.gz PSBBIAJTTWAXDQ-SFHVURJKSA-N -1 0 341.451 3.746 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1cccnc1-c1ccccc1)c1ccccc1 ZINC001574607856 962178449 /nfs/dbraw/zinc/17/84/49/962178449.db2.gz SNHPDJMURQGIHZ-SFHVURJKSA-N -1 0 347.374 3.696 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-] ZINC000263054200 962189081 /nfs/dbraw/zinc/18/90/81/962189081.db2.gz WSWYVJKULGKNKB-IMJJTQAJSA-N -1 0 343.448 3.662 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CC[C@H](c2ccccc2)[C@H]1C)CC(=O)[O-] ZINC001588890825 962204071 /nfs/dbraw/zinc/20/40/71/962204071.db2.gz ZPMIIRXMXASLCB-RYRKJORJSA-N -1 0 346.471 3.711 20 0 EHADRM CC[C@H](C(=O)Nc1cc(COC)cc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000263068542 962210794 /nfs/dbraw/zinc/21/07/94/962210794.db2.gz JERFNQYPNUEWMJ-KRWDZBQOSA-N -1 0 345.370 3.803 20 0 EHADRM Cc1cccc(Oc2ccccc2C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)c1 ZINC000263082394 962226175 /nfs/dbraw/zinc/22/61/75/962226175.db2.gz CYGFZQPRDVHOOG-ZBFHGGJFSA-N -1 0 339.391 3.723 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC001574621180 962248785 /nfs/dbraw/zinc/24/87/85/962248785.db2.gz MSSQMRCIZJPMFN-NUJGCVRESA-N -1 0 341.382 3.652 20 0 EHADRM O=C([O-])C1(C(=O)N[C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CCC1 ZINC001574626010 962276691 /nfs/dbraw/zinc/27/66/91/962276691.db2.gz FFSRDCQGMVJMTF-UKRRQHHQSA-N -1 0 335.831 3.737 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)CCC1 ZINC001574633116 962305682 /nfs/dbraw/zinc/30/56/82/962305682.db2.gz KKAQGXYACAUZSH-UHFFFAOYSA-N -1 0 336.800 3.657 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccccc2-c2nccs2)C1 ZINC001345809465 962316993 /nfs/dbraw/zinc/31/69/93/962316993.db2.gz RYDRRDDLNVZNGR-NEPJUHHUSA-N -1 0 330.409 3.640 20 0 EHADRM CC(C)CCC(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC000263190843 962345160 /nfs/dbraw/zinc/34/51/60/962345160.db2.gz MMARJFFTPOEION-UHFFFAOYSA-N -1 0 332.425 3.561 20 0 EHADRM CN(C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ccc(OCC(=O)[O-])cc1 ZINC000263208633 962364567 /nfs/dbraw/zinc/36/45/67/962364567.db2.gz ZJXOPWCEFWGPIP-OWCLPIDISA-N -1 0 345.439 3.719 20 0 EHADRM Cc1ccccc1C(NC(=O)NCCCC(=O)[O-])c1ccccc1C ZINC000263215972 962371505 /nfs/dbraw/zinc/37/15/05/962371505.db2.gz JKGVFYRZKXLMIL-UHFFFAOYSA-N -1 0 340.423 3.557 20 0 EHADRM O=C([O-])CC1CCN(C(=O)c2ccc(CCC(F)(F)F)cc2)CC1 ZINC000263234884 962382895 /nfs/dbraw/zinc/38/28/95/962382895.db2.gz DHZQCKPTZJUUIG-UHFFFAOYSA-N -1 0 343.345 3.508 20 0 EHADRM CC(C)[C@H](NC(=O)CCCCC(=O)[O-])c1ccc(Cl)cc1F ZINC000263263723 962402975 /nfs/dbraw/zinc/40/29/75/962402975.db2.gz GYEWMDCCDBWMSP-INIZCTEOSA-N -1 0 329.799 3.937 20 0 EHADRM C[C@H](C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC000263271821 962409188 /nfs/dbraw/zinc/40/91/88/962409188.db2.gz IFKDUGRIOXBRQO-ORAYPTAESA-N -1 0 345.826 3.602 20 0 EHADRM C[C@@H](NC(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccc(Cl)c2ccccc21 ZINC000263274866 962415252 /nfs/dbraw/zinc/41/52/52/962415252.db2.gz SBYSENAXSSTICH-VXGBXAGGSA-N -1 0 346.814 3.670 20 0 EHADRM CC1(C(=O)NCc2cccc(-c3nc(C(=O)[O-])cs3)c2)CCCC1 ZINC000263288146 962427763 /nfs/dbraw/zinc/42/77/63/962427763.db2.gz ZRPNFMCWMOQHFN-UHFFFAOYSA-N -1 0 344.436 3.705 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N[C@@H](C(=O)[O-])c3ccccc3)c(Cl)c2c1 ZINC001347955254 962435023 /nfs/dbraw/zinc/43/50/23/962435023.db2.gz SNOMHFDQGDRARX-OAHLLOKOSA-N -1 0 342.782 3.685 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000263295955 962439606 /nfs/dbraw/zinc/43/96/06/962439606.db2.gz NBQGETYADNHCRL-KBXCAEBGSA-N -1 0 341.407 3.979 20 0 EHADRM CC(C)Nc1ccc(F)cc1NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001588927963 962440393 /nfs/dbraw/zinc/44/03/93/962440393.db2.gz KQDUSKYWUBOMAI-GQCTYLIASA-N -1 0 332.331 3.589 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000263309806 962451796 /nfs/dbraw/zinc/45/17/96/962451796.db2.gz GEWRYVLPTQHXHG-GOSISDBHSA-N -1 0 343.810 3.848 20 0 EHADRM CO[C@](C)(C(=O)[O-])C(=O)Nc1ccc(Sc2ccccc2)cc1C ZINC001574111542 962457161 /nfs/dbraw/zinc/45/71/61/962457161.db2.gz MZBIJNUBVJGSQS-SFHVURJKSA-N -1 0 345.420 3.574 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000263337104 962485419 /nfs/dbraw/zinc/48/54/19/962485419.db2.gz WMONXQZIJGEJOX-VIFPVBQESA-N -1 0 335.400 3.674 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)NCc2ccc(Cl)cc2Cl)co1 ZINC001574665649 962504249 /nfs/dbraw/zinc/50/42/49/962504249.db2.gz KQUCQRFSCDVXNL-ONEGZZNKSA-N -1 0 340.162 3.614 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2F)co1 ZINC001574666391 962515921 /nfs/dbraw/zinc/51/59/21/962515921.db2.gz YDJIHMMZZAXNQD-DQOPKJQZSA-N -1 0 347.317 3.633 20 0 EHADRM Cc1nc(C2CC2)oc1C(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1 ZINC000263385179 962543463 /nfs/dbraw/zinc/54/34/63/962543463.db2.gz DPDTUHVOUQASQD-OAHLLOKOSA-N -1 0 348.443 3.794 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)Nc1ccc(OCCC(C)C)cc1 ZINC000263399705 962561854 /nfs/dbraw/zinc/56/18/54/962561854.db2.gz GEXBLIMZQCGXSX-UHFFFAOYSA-N -1 0 345.395 3.892 20 0 EHADRM CC(C)[C@@H]1C[C@H]1CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001588954984 962589325 /nfs/dbraw/zinc/58/93/25/962589325.db2.gz XLNHHQLFQHSVEA-IUCAKERBSA-N -1 0 328.771 3.591 20 0 EHADRM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000263424780 962598720 /nfs/dbraw/zinc/59/87/20/962598720.db2.gz QFSAKBAAIFYFTE-MRVPVSSYSA-N -1 0 330.331 3.711 20 0 EHADRM O=C([O-])CCCNC(=O)N[C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000263435271 962614000 /nfs/dbraw/zinc/61/40/00/962614000.db2.gz ZSIINOXWYUWKBO-ZFWWWQNUSA-N -1 0 338.835 3.530 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CC1CCC1)c1ccc(C(F)(F)F)cc1 ZINC001352883356 962639397 /nfs/dbraw/zinc/63/93/97/962639397.db2.gz SUXDNWBTTZDIBJ-ZDUSSCGKSA-N -1 0 329.318 3.528 20 0 EHADRM CCN(Cc1ccccc1Cl)C(=O)c1c(C)coc1CC(=O)[O-] ZINC000263451109 962639589 /nfs/dbraw/zinc/63/95/89/962639589.db2.gz SJWLQWBYVJDCCV-UHFFFAOYSA-N -1 0 335.787 3.531 20 0 EHADRM CC(C)c1ccc(CN(C(=O)NCC2(C(=O)[O-])CCC2)C2CC2)cc1 ZINC001588966666 962649425 /nfs/dbraw/zinc/64/94/25/962649425.db2.gz HFZMQDDWRKDFQJ-UHFFFAOYSA-N -1 0 344.455 3.739 20 0 EHADRM CC(C)[C@H]1CN(C(=O)NC2CCC(C(=O)[O-])CC2)c2ccccc21 ZINC000263480014 962667319 /nfs/dbraw/zinc/66/73/19/962667319.db2.gz NTDUCXWSFXNWHI-ZBCRRDGASA-N -1 0 330.428 3.599 20 0 EHADRM CC(C)c1csc(NC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)n1 ZINC001588975427 962690706 /nfs/dbraw/zinc/69/07/06/962690706.db2.gz XTMQVJGEULVRKU-CHWSQXEVSA-N -1 0 345.424 3.701 20 0 EHADRM CC(C)c1csc(NC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)n1 ZINC001588975436 962690774 /nfs/dbraw/zinc/69/07/74/962690774.db2.gz XTMQVJGEULVRKU-STQMWFEESA-N -1 0 345.424 3.701 20 0 EHADRM C[C@@H](CN(C)c1cc(C(F)F)nc2ccc(Cl)cc21)C(=O)[O-] ZINC000263516270 962699000 /nfs/dbraw/zinc/69/90/00/962699000.db2.gz ACTHBEZFWHJUMW-QMMMGPOBSA-N -1 0 328.746 3.983 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)C2(Cc3cccc(F)c3)CCC2)c1 ZINC000263518063 962699276 /nfs/dbraw/zinc/69/92/76/962699276.db2.gz FSYYZQMHMYLIKC-UHFFFAOYSA-N -1 0 341.382 3.804 20 0 EHADRM CCCC[C@@H](NC(=O)c1ccccc1CCC(F)(F)F)C(=O)[O-] ZINC000263526826 962707976 /nfs/dbraw/zinc/70/79/76/962707976.db2.gz KIAIWWWBNWOWNG-CYBMUJFWSA-N -1 0 331.334 3.555 20 0 EHADRM CCOc1ccccc1[C@H](CC)NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000263544023 962718378 /nfs/dbraw/zinc/71/83/78/962718378.db2.gz SFQSOARTVQMSFO-FMKPAKJESA-N -1 0 333.428 3.544 20 0 EHADRM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000263572136 962737381 /nfs/dbraw/zinc/73/73/81/962737381.db2.gz KMOGADROQMFJTJ-HUUCEWRRSA-N -1 0 327.380 3.695 20 0 EHADRM CCCCCCOc1ccc(CC(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000269107057 962771597 /nfs/dbraw/zinc/77/15/97/962771597.db2.gz BYTVVMDIPLJEOA-UHFFFAOYSA-N -1 0 347.455 3.511 20 0 EHADRM C[C@@H]1CC[C@@](NC(=O)c2ccc(C(F)F)o2)(C(=O)[O-])c2ccccc21 ZINC001517447997 962803027 /nfs/dbraw/zinc/80/30/27/962803027.db2.gz NRJRFAMPMYOKON-MGNBDDOMSA-N -1 0 349.333 3.824 20 0 EHADRM C[C@H](CC(=O)Nc1sc2c(c1C(=O)[O-])CCOC2)c1ccccc1 ZINC001588994346 962828994 /nfs/dbraw/zinc/82/89/94/962828994.db2.gz PQNPTSQXZYZFJY-LLVKDONJSA-N -1 0 345.420 3.651 20 0 EHADRM O=C([O-])COc1cccc(C(=O)N[C@H](C2CCC2)C2CCCCC2)c1 ZINC001574737732 962859842 /nfs/dbraw/zinc/85/98/42/962859842.db2.gz UQKGDLHOTFKLRE-IBGZPJMESA-N -1 0 345.439 3.629 20 0 EHADRM COc1ccc([C@@H](NC(=O)Nc2cccc(C(=O)[O-])c2)C2CC2)cc1 ZINC001574201684 962887589 /nfs/dbraw/zinc/88/75/89/962887589.db2.gz DSWPZLUOOPBLND-KRWDZBQOSA-N -1 0 340.379 3.666 20 0 EHADRM O=C([O-])c1cc(I)cc(NC2CCCCC2)c1 ZINC000304633017 963153265 /nfs/dbraw/zinc/15/32/65/963153265.db2.gz ZMWZYZKVWOVNFY-UHFFFAOYSA-N -1 0 345.180 3.734 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccccc2OCc2ccccc2)C1 ZINC000311189872 963465542 /nfs/dbraw/zinc/46/55/42/963465542.db2.gz DWYCVSWZULPNIN-JKSUJKDBSA-N -1 0 339.391 3.705 20 0 EHADRM Cc1occc1C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000312417767 963560884 /nfs/dbraw/zinc/56/08/84/963560884.db2.gz JZIKLSPKVISIJI-UHFFFAOYSA-N -1 0 338.157 3.609 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC[C@H]1C(=O)[O-] ZINC000313743579 963678020 /nfs/dbraw/zinc/67/80/20/963678020.db2.gz CRBRAORFKBZPBW-QPUJVOFHSA-N -1 0 331.199 3.568 20 0 EHADRM COc1ccc(OC(F)F)c(N[C@@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC000314867272 963823857 /nfs/dbraw/zinc/82/38/57/963823857.db2.gz CLYNOTDNDDDXSB-ZETCQYMHSA-N -1 0 344.339 3.624 20 0 EHADRM CC[C@@H](CNC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[O-] ZINC000316086319 963974548 /nfs/dbraw/zinc/97/45/48/963974548.db2.gz PYANAESTQSSWNY-ZETCQYMHSA-N -1 0 338.713 3.591 20 0 EHADRM Cc1cc(C(=O)[O-])c(NC(=O)[C@@H](C)Oc2ccccc2Cl)s1 ZINC000316391520 964007602 /nfs/dbraw/zinc/00/76/02/964007602.db2.gz YNSYIQVGCGLVBF-SECBINFHSA-N -1 0 339.800 3.814 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2ccc(-c3ccccc3F)o2)cc1 ZINC000013092458 967494760 /nfs/dbraw/zinc/49/47/60/967494760.db2.gz UJGHYYSINITIDC-UHFFFAOYSA-N -1 0 339.322 3.714 20 0 EHADRM Cc1ccc(C(C)C)c(OCC(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC000236725811 967778452 /nfs/dbraw/zinc/77/84/52/967778452.db2.gz JOJXXWXOGBGVTH-MRXNPFEDSA-N -1 0 347.455 3.601 20 0 EHADRM C[C@H]1CCCN(C(=O)c2cccc(OCC(=O)[O-])c2)c2ccccc21 ZINC000262715577 967826147 /nfs/dbraw/zinc/82/61/47/967826147.db2.gz COMQYZIMVPEIGU-AWEZNQCLSA-N -1 0 339.391 3.694 20 0 EHADRM C[C@@H]1CCCN(C(=O)c2cccc(OCC(=O)[O-])c2)c2ccccc21 ZINC000262715578 967826258 /nfs/dbraw/zinc/82/62/58/967826258.db2.gz COMQYZIMVPEIGU-CQSZACIVSA-N -1 0 339.391 3.694 20 0 EHADRM CC(C)C[C@H](NC(=O)Nc1ccccc1SC(F)F)C(=O)[O-] ZINC000315683861 967974480 /nfs/dbraw/zinc/97/44/80/967974480.db2.gz AXUHTZLOCHUIAR-JTQLQIEISA-N -1 0 332.372 3.622 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1ccccc1C(F)(F)F)CC(=O)[O-] ZINC000322056439 968016242 /nfs/dbraw/zinc/01/62/42/968016242.db2.gz QGTLKFUIMHMZBX-NSHDSACASA-N -1 0 331.334 3.572 20 0 EHADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)Nc1cccnc1C(=O)[O-] ZINC000322123957 968016958 /nfs/dbraw/zinc/01/69/58/968016958.db2.gz MIUYOLSSWNMILS-SNVBAGLBSA-N -1 0 333.775 3.658 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc3ccccc3c(Cl)n2)C1 ZINC000326224621 968042028 /nfs/dbraw/zinc/04/20/28/968042028.db2.gz SNHOQIYELWAEEZ-GOSISDBHSA-N -1 0 346.814 3.605 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)/C=C\c2cc(Cl)cc(Cl)c2)C1 ZINC000398772265 968277194 /nfs/dbraw/zinc/27/71/94/968277194.db2.gz CWJBUFAKPHTLKI-IRSQKABVSA-N -1 0 342.222 3.576 20 0 EHADRM O=C([O-])c1cccc(NC(=O)Cc2csc(-c3ccccc3)n2)c1 ZINC000481939833 968384765 /nfs/dbraw/zinc/38/47/65/968384765.db2.gz BYTJZBCASLYCBQ-UHFFFAOYSA-N -1 0 338.388 3.690 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc(COc3cccc(F)c3)c2)CCC1 ZINC000521879970 968395074 /nfs/dbraw/zinc/39/50/74/968395074.db2.gz YEMDDSWAWRMCPR-UHFFFAOYSA-N -1 0 343.354 3.598 20 0 EHADRM CC[C@H](NC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)c1cc(C)ccc1C ZINC000529227770 968396353 /nfs/dbraw/zinc/39/63/53/968396353.db2.gz WUPHTDLVPXNJSO-OIISXLGYSA-N -1 0 332.444 3.507 20 0 EHADRM CCOc1ccc(NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc1F ZINC000583062537 968479623 /nfs/dbraw/zinc/47/96/23/968479623.db2.gz NPSYZXFIERQMHA-CYBMUJFWSA-N -1 0 340.395 3.625 20 0 EHADRM CCc1ccc([C@H](NC(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)C(C)C)cc1 ZINC000626745566 968515018 /nfs/dbraw/zinc/51/50/18/968515018.db2.gz VVXJPBCOLSVQPC-ZTFGCOKTSA-N -1 0 346.471 3.698 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655581461 968687592 /nfs/dbraw/zinc/68/75/92/968687592.db2.gz ZEQZPVIQWRXKAT-UWWPHRKUSA-N -1 0 347.455 3.729 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)CC=CC1 ZINC000663086608 968794645 /nfs/dbraw/zinc/79/46/45/968794645.db2.gz PDOCQRKLFPNGIV-UHFFFAOYSA-N -1 0 338.363 3.579 20 0 EHADRM CC(C)[C@H](NC(=O)NCCCCC(=O)[O-])c1ccc(Cl)cc1F ZINC000666539931 968841384 /nfs/dbraw/zinc/84/13/84/968841384.db2.gz BGLZFMCOFXSHQL-HNNXBMFYSA-N -1 0 344.814 3.730 20 0 EHADRM CC1CC(C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)(c2cccc(Cl)c2)C1 ZINC000851606617 969273975 /nfs/dbraw/zinc/27/39/75/969273975.db2.gz VFSMHLICFALLBJ-VSELKDKVSA-N -1 0 349.858 3.577 20 0 EHADRM Cc1ccccc1[C@@H]1CCCN1C(=O)NCc1ccccc1C(=O)[O-] ZINC000874409405 969387791 /nfs/dbraw/zinc/38/77/91/969387791.db2.gz JOBURCNSUYSTTP-SFHVURJKSA-N -1 0 338.407 3.740 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Nc1cccc(F)c1Cl ZINC000899313608 969418827 /nfs/dbraw/zinc/41/88/27/969418827.db2.gz NYPMBWTUDWZYDG-JTQLQIEISA-N -1 0 328.771 3.730 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc(OC3CCCC3)c2)CCSCC1 ZINC000901587952 969444247 /nfs/dbraw/zinc/44/42/47/969444247.db2.gz QDAQAUAEMCVVSU-UHFFFAOYSA-N -1 0 349.452 3.545 20 0 EHADRM CC(C)(C)OCc1ccccc1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000909475431 969624926 /nfs/dbraw/zinc/62/49/26/969624926.db2.gz HBPWFCWJADDLAT-OAHLLOKOSA-N -1 0 347.455 3.719 20 0 EHADRM O=C([O-])c1cccc(NC(=O)[C@H]2CCN(c3ccccc3Cl)C2)c1 ZINC001595249129 970336035 /nfs/dbraw/zinc/33/60/35/970336035.db2.gz WXUZRBOQHXQPJP-ZDUSSCGKSA-N -1 0 344.798 3.503 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)c2ccc(Cl)cc2F)cc1F ZINC000317584568 970371559 /nfs/dbraw/zinc/37/15/59/970371559.db2.gz GJWBZMHWLNEJRO-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM C[C@@H](C(=O)[O-])c1noc(CCCOc2ccc(Cl)cc2Cl)n1 ZINC001609744175 970510525 /nfs/dbraw/zinc/51/05/25/970510525.db2.gz QMFMWDKUHMFOKB-MRVPVSSYSA-N -1 0 345.182 3.576 20 0 EHADRM CSC[C@H]1CCCN(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC000320224223 970633078 /nfs/dbraw/zinc/63/30/78/970633078.db2.gz VKGHKBVFWTZKIG-JTQLQIEISA-N -1 0 342.848 3.645 20 0 EHADRM O=C([O-])CC1(CNC(=O)CCSc2ccccc2)CCCCC1 ZINC000320243375 970637358 /nfs/dbraw/zinc/63/73/58/970637358.db2.gz BEDZNSRBJABWOE-UHFFFAOYSA-N -1 0 335.469 3.710 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N(C)C2(C(=O)[O-])CCCCC2)c1 ZINC000320580864 970682037 /nfs/dbraw/zinc/68/20/37/970682037.db2.gz NJPHNNLKKOUCRP-UHFFFAOYSA-N -1 0 341.860 3.921 20 0 EHADRM CCN(C(=O)N[C@@H](C)CC(=O)[O-])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC001610270472 970711000 /nfs/dbraw/zinc/71/10/00/970711000.db2.gz BMQZQSWJRMVJSB-QWRGUYRKSA-N -1 0 346.349 3.661 20 0 EHADRM CC[C@H]1CCCC[C@H]1NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000320780296 970714488 /nfs/dbraw/zinc/71/44/88/970714488.db2.gz HUPDSPHSECDQPS-TVQRCGJNSA-N -1 0 326.343 3.753 20 0 EHADRM Cc1cc(C(=O)[O-])c(NC(=O)CCCOc2ccc(F)cc2)s1 ZINC000320905468 970728022 /nfs/dbraw/zinc/72/80/22/970728022.db2.gz VTRTWXSKZAKJOZ-UHFFFAOYSA-N -1 0 337.372 3.692 20 0 EHADRM Cc1cccc(Cl)c1NC(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000320980723 970734217 /nfs/dbraw/zinc/73/42/17/970734217.db2.gz PTKHOXYJWFUHBC-CYBMUJFWSA-N -1 0 332.787 3.638 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000321082547 970740785 /nfs/dbraw/zinc/74/07/85/970740785.db2.gz IEQQYRLXVKYJQH-GTNSWQLSSA-N -1 0 335.400 3.594 20 0 EHADRM CCn1cc(Cl)cc1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000321280815 970757449 /nfs/dbraw/zinc/75/74/49/970757449.db2.gz CYAXIHQIIDDQIF-UHFFFAOYSA-N -1 0 334.803 3.776 20 0 EHADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Nc1ccc(Br)c2ccccc12 ZINC001605023746 972634975 /nfs/dbraw/zinc/63/49/75/972634975.db2.gz ZWOIVFMFAYFACN-ABKXIKBNSA-N -1 0 348.196 3.652 20 0 EHADRM O=C([O-])c1cncc(NC(=O)NC2(c3ccccc3Cl)CCC2)c1 ZINC001605871243 972641727 /nfs/dbraw/zinc/64/17/27/972641727.db2.gz SAGMPQOUBMCOTE-UHFFFAOYSA-N -1 0 345.786 3.634 20 0 EHADRM C[C@H](OC(=O)C1(CC(=O)[O-])CCC1)c1cccc(OC(F)F)c1 ZINC001605053911 972671606 /nfs/dbraw/zinc/67/16/06/972671606.db2.gz LISCVSKDJDFVMR-JTQLQIEISA-N -1 0 328.311 3.537 20 0 EHADRM CC1(C)CC[C@H](CN2C[C@H](CCC(=O)[O-])Cc3ccccc32)OC1 ZINC001603327225 972674748 /nfs/dbraw/zinc/67/47/48/972674748.db2.gz IXCMLRHZZXYSRR-NVXWUHKLSA-N -1 0 331.456 3.735 20 0 EHADRM CC1(C)CN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)[C@H]1c1ccccc1 ZINC001603329332 972691731 /nfs/dbraw/zinc/69/17/31/972691731.db2.gz JIRJZQYOOXITLJ-KAMXEHQASA-N -1 0 325.364 3.601 20 0 EHADRM Cc1c(F)c(C(F)(F)F)ccc1C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC001605076503 972704239 /nfs/dbraw/zinc/70/42/39/972704239.db2.gz AKNIUISXVQFEHK-SNVBAGLBSA-N -1 0 349.324 3.630 20 0 EHADRM O=C([O-])[C@H](C(=O)NCC1(c2ccccc2)CCCC1)C1CCCC1 ZINC001605898201 972710649 /nfs/dbraw/zinc/71/06/49/972710649.db2.gz PAJNSTCQFIHTSE-KRWDZBQOSA-N -1 0 329.440 3.506 20 0 EHADRM O=C([O-])c1cccc(COc2ccc([N+](=O)[O-])c(F)c2)c1Cl ZINC000394590352 972721892 /nfs/dbraw/zinc/72/18/92/972721892.db2.gz UDSQVQHVZYLBQA-UHFFFAOYSA-N -1 0 325.679 3.665 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1ccc(F)c(C(F)(F)F)c1)C1CCCC1 ZINC001605900494 972723655 /nfs/dbraw/zinc/72/36/55/972723655.db2.gz CSBWRKMCGSFZEF-GFCCVEGCSA-N -1 0 333.281 3.674 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1cccc(-c2ccc(F)cc2Cl)n1)C1CC1 ZINC001605900658 972725982 /nfs/dbraw/zinc/72/59/82/972725982.db2.gz FSNCBUMIWNBJPR-OAHLLOKOSA-N -1 0 348.761 3.590 20 0 EHADRM Cc1cc(C(C)(C)C)ccc1OCCCC(=O)N(C)C[C@H](C)C(=O)[O-] ZINC001605140186 972809353 /nfs/dbraw/zinc/80/93/53/972809353.db2.gz FPDWQXDFFUOZKD-HNNXBMFYSA-N -1 0 349.471 3.631 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cc1 ZINC000396353399 972863562 /nfs/dbraw/zinc/86/35/62/972863562.db2.gz BEGQRLNCIFVURB-QWHCGFSZSA-N -1 0 342.395 3.766 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000396395665 972874323 /nfs/dbraw/zinc/87/43/23/972874323.db2.gz UKMFSHFGMPISPC-QMMMGPOBSA-N -1 0 339.178 3.829 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NCc2cccc(Cl)c2)cc1 ZINC000396425335 972880794 /nfs/dbraw/zinc/88/07/94/972880794.db2.gz GDBXQWRSJSWTIO-NSHDSACASA-N -1 0 332.787 3.850 20 0 EHADRM Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001605180291 972899387 /nfs/dbraw/zinc/89/93/87/972899387.db2.gz ZDBFEDPLLYIZTN-INIZCTEOSA-N -1 0 343.358 3.596 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NC[C@H]2CCCCC2(F)F)cc1 ZINC000396508020 972909882 /nfs/dbraw/zinc/90/98/82/972909882.db2.gz QUNAHLNDLHBOHD-WCQYABFASA-N -1 0 340.370 3.822 20 0 EHADRM Cc1cc(NC(=O)C[C@H](c2ncc[nH]2)c2ccccc2)ccc1C(=O)[O-] ZINC001605192300 972912124 /nfs/dbraw/zinc/91/21/24/972912124.db2.gz HTYCMEQXORYZQQ-KRWDZBQOSA-N -1 0 349.390 3.577 20 0 EHADRM Cc1cc(NC(=O)C2(CC(=O)[O-])CCC2)ccc1C(=O)OC(C)(C)C ZINC001605192257 972912215 /nfs/dbraw/zinc/91/22/15/972912215.db2.gz GEXLMJADBGKPCQ-UHFFFAOYSA-N -1 0 347.411 3.534 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1 ZINC000396538261 972914836 /nfs/dbraw/zinc/91/48/36/972914836.db2.gz ZBVHWNPUZRMKDZ-CYBMUJFWSA-N -1 0 336.391 3.927 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001605223901 972972412 /nfs/dbraw/zinc/97/24/12/972972412.db2.gz KBRLKZWIBAYXTL-FOSCPCJNSA-N -1 0 343.379 3.722 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001603383208 972977586 /nfs/dbraw/zinc/97/75/86/972977586.db2.gz QKKFPYIDXBWESK-QXBKKUCYSA-N -1 0 342.439 3.662 20 0 EHADRM Cc1cc2nc(NC(=O)c3coc(/C=C\C(=O)[O-])c3)sc2cc1F ZINC001605233189 972989277 /nfs/dbraw/zinc/98/92/77/972989277.db2.gz OWESLZPYPNICHU-IHWYPQMZSA-N -1 0 346.339 3.687 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1ccccc1OC1CCCC1 ZINC001603388879 972995831 /nfs/dbraw/zinc/99/58/31/972995831.db2.gz SHSWPPVSJBLSGX-KGLIPLIRSA-N -1 0 346.427 3.725 20 0 EHADRM C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)N(C)CCC(=O)[O-])c2)C1 ZINC001603399929 973050576 /nfs/dbraw/zinc/05/05/76/973050576.db2.gz QTRANZOVFCTNLB-WMLDXEAASA-N -1 0 348.443 3.720 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)Cc2cccc(C3CC3)c2)c2ccccc21 ZINC001605997430 973067155 /nfs/dbraw/zinc/06/71/55/973067155.db2.gz KCGIJFDXMMWXHS-GOSISDBHSA-N -1 0 335.403 3.712 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)C[C@H]1C(=O)[O-] ZINC001603425099 973141479 /nfs/dbraw/zinc/14/14/79/973141479.db2.gz DOOXGNSOYKFZCB-PSASIEDQSA-N -1 0 349.736 3.542 20 0 EHADRM Cc1cccc([C@H](NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)C(=O)[O-])c1 ZINC001605328960 973190996 /nfs/dbraw/zinc/19/09/96/973190996.db2.gz RHZUAMJTHNRLPD-XQBPLPMBSA-N -1 0 349.430 3.531 20 0 EHADRM C[C@H](SCC(=O)[O-])C(=O)Nc1ccccc1Oc1ccccc1 ZINC001604448176 973271042 /nfs/dbraw/zinc/27/10/42/973271042.db2.gz CWGOLRVUUPIALK-LBPRGKRZSA-N -1 0 331.393 3.624 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CC[C@@H]1C(=O)[O-] ZINC001603454213 973273039 /nfs/dbraw/zinc/27/30/39/973273039.db2.gz RFDNAQLLKHKCRL-WPRPVWTQSA-N -1 0 349.736 3.542 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)c1cc(SC)ccc1Cl)C(=O)[O-] ZINC000400419624 973275800 /nfs/dbraw/zinc/27/58/00/973275800.db2.gz BRVSRMZEEHVZPP-RNCFNFMXSA-N -1 0 329.849 3.681 20 0 EHADRM O=C([O-])CCC(=O)Oc1c(Cl)cc(Cl)cc1Br ZINC001606104036 973287841 /nfs/dbraw/zinc/28/78/41/973287841.db2.gz VKHDUVRNWFPEPK-UHFFFAOYSA-N -1 0 341.972 3.526 20 0 EHADRM Cc1cncc(/C=C\C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)c1 ZINC001605376287 973332853 /nfs/dbraw/zinc/33/28/53/973332853.db2.gz WDKCFALDOUYGBK-DJWKRKHSSA-N -1 0 334.734 3.533 20 0 EHADRM Cc1nc(-c2ccccc2)oc1COC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001605393362 973366730 /nfs/dbraw/zinc/36/67/30/973366730.db2.gz HYYWXIDKCNGSIM-MRXNPFEDSA-N -1 0 343.379 3.584 20 0 EHADRM CO[C@H](CNC(=O)Nc1ccccc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001604481084 973377706 /nfs/dbraw/zinc/37/77/06/973377706.db2.gz IIENFSKFVKCWBF-OAHLLOKOSA-N -1 0 348.786 3.547 20 0 EHADRM C/C=C\COc1cccc(CC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC001603483275 973398685 /nfs/dbraw/zinc/39/86/85/973398685.db2.gz ZGWCIIPNMJHKOA-OSJSJHBBSA-N -1 0 347.455 3.580 20 0 EHADRM Cc1nccc2c(NC(=O)N3CCC[C@H](CCC(=O)[O-])C3)cccc12 ZINC001605425410 973462212 /nfs/dbraw/zinc/46/22/12/973462212.db2.gz ZMBZHGOYTNGMRH-CQSZACIVSA-N -1 0 341.411 3.652 20 0 EHADRM O=C([O-])CCc1cccc(NCc2ccc3c(c2)OC(F)(F)O3)c1 ZINC001606215846 973465988 /nfs/dbraw/zinc/46/59/88/973465988.db2.gz UJPYXXNPCRJJNV-UHFFFAOYSA-N -1 0 335.306 3.637 20 0 EHADRM CC[C@H](C)c1ncc(NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cn1 ZINC001603515564 973520010 /nfs/dbraw/zinc/52/00/10/973520010.db2.gz COWNJFDSQNVTCQ-JTQLQIEISA-N -1 0 328.372 3.641 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)NCC1(Cc2cccc(Cl)c2)CC1 ZINC001603522753 973554023 /nfs/dbraw/zinc/55/40/23/973554023.db2.gz WCTGPRDQBJPFKV-UHFFFAOYSA-N -1 0 337.847 3.670 20 0 EHADRM CC[C@H](CC(F)(F)F)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000402516250 973616575 /nfs/dbraw/zinc/61/65/75/973616575.db2.gz LHARLNAUHGZSRW-ZCFIWIBFSA-N -1 0 325.233 3.580 20 0 EHADRM CC[C@H](CNC(=O)Nc1cccc(C(=O)[O-])c1C)CC(F)(F)F ZINC000402555061 973624437 /nfs/dbraw/zinc/62/44/37/973624437.db2.gz GMVYOVXOBHMNBH-JTQLQIEISA-N -1 0 332.322 3.793 20 0 EHADRM CC[C@H](CNC(=O)N1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1)C(=O)[O-] ZINC001603555677 973634612 /nfs/dbraw/zinc/63/46/12/973634612.db2.gz FGISOJZTKCDUFQ-BFYDXBDKSA-N -1 0 332.444 3.588 20 0 EHADRM CC[C@H](CNC(=O)N1CCC[C@@H](CCCc2ccccc2)C1)C(=O)[O-] ZINC001603557225 973644731 /nfs/dbraw/zinc/64/47/31/973644731.db2.gz ROULRRJGWRFEOZ-QZTJIDSGSA-N -1 0 346.471 3.542 20 0 EHADRM CC[C@@H](CNC(=O)c1ccccc1Oc1cccc(C)c1)C(=O)[O-] ZINC001603567924 973699673 /nfs/dbraw/zinc/69/96/73/973699673.db2.gz NECWBKQXSUACKK-AWEZNQCLSA-N -1 0 327.380 3.628 20 0 EHADRM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001603592751 973792926 /nfs/dbraw/zinc/79/29/26/973792926.db2.gz PFHFMUIMEWEPIH-VSZNYVQBSA-N -1 0 344.455 3.608 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)Nc1cc(Cl)c(F)c(Cl)c1)CC1CC1 ZINC000405250134 973803032 /nfs/dbraw/zinc/80/30/32/973803032.db2.gz HTZSNTHDVMAIAU-MRVPVSSYSA-N -1 0 349.189 3.755 20 0 EHADRM CC[C@@H](OC(=O)c1coc(/C=C\C(=O)[O-])c1)c1cccc(OC)c1 ZINC001603594020 973815718 /nfs/dbraw/zinc/81/57/18/973815718.db2.gz VCTDVNUODMABMS-XITLMJRVSA-N -1 0 330.336 3.694 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])c1 ZINC000405523345 973893784 /nfs/dbraw/zinc/89/37/84/973893784.db2.gz JZUBXRWCIFNKRE-DVOMOZLQSA-N -1 0 334.416 3.629 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N2CCC[C@@H]2CC2CCCC2)cc1 ZINC001606489312 973972496 /nfs/dbraw/zinc/97/24/96/973972496.db2.gz VPVGRKJPZNYMBQ-QGZVFWFLSA-N -1 0 330.428 3.639 20 0 EHADRM O=C([O-])c1ccc(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)cc1 ZINC000426692856 974044818 /nfs/dbraw/zinc/04/48/18/974044818.db2.gz AXVDPONEDKMHBB-UHFFFAOYSA-N -1 0 327.277 3.833 20 0 EHADRM COc1ccc(N(CCc2ccccc2)C(=O)CCCC(=O)[O-])cc1 ZINC001604809303 974046819 /nfs/dbraw/zinc/04/68/19/974046819.db2.gz FNVDPFIUIAKZOS-UHFFFAOYSA-N -1 0 341.407 3.526 20 0 EHADRM COCc1cc(NC(=O)c2coc3ccccc23)cc(C(=O)[O-])c1 ZINC000427707597 974056379 /nfs/dbraw/zinc/05/63/79/974056379.db2.gz ZMSQSRDGZHCWKD-UHFFFAOYSA-N -1 0 325.320 3.530 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)Nc2ccc3nc(C4CC4)oc3c2)o1 ZINC001605667595 974066192 /nfs/dbraw/zinc/06/61/92/974066192.db2.gz FUMAUAYYDDEOJJ-VMPITWQZSA-N -1 0 338.319 3.648 20 0 EHADRM Cc1cc(C)c(CC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c(C)c1 ZINC000431654637 974071118 /nfs/dbraw/zinc/07/11/18/974071118.db2.gz ROPQGJNZHAWAFF-OXJNMPFZSA-N -1 0 339.435 3.733 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC001604834368 974077258 /nfs/dbraw/zinc/07/72/58/974077258.db2.gz ROLYNYWOKLHREV-BBRMVZONSA-N -1 0 325.364 3.526 20 0 EHADRM O=C([O-])c1cncc(NC(=O)CCC(=O)c2ccc3ccccc3c2)c1 ZINC001605676976 974089168 /nfs/dbraw/zinc/08/91/68/974089168.db2.gz APBAIZZLZCACQJ-UHFFFAOYSA-N -1 0 348.358 3.535 20 0 EHADRM COc1ccc2c(c1)N(C(=O)c1cc(C)cc(C(=O)[O-])c1)CCCC2 ZINC001604843826 974089348 /nfs/dbraw/zinc/08/93/48/974089348.db2.gz WMIVAWDWWZDKRS-UHFFFAOYSA-N -1 0 339.391 3.685 20 0 EHADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1Cl ZINC000432128359 974089782 /nfs/dbraw/zinc/08/97/82/974089782.db2.gz FAXVFZFBDPTYHT-CQSZACIVSA-N -1 0 349.789 3.685 20 0 EHADRM Cc1ccc(SCC(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])c(C)c1 ZINC000432124967 974090070 /nfs/dbraw/zinc/09/00/70/974090070.db2.gz DUPVJWALWBSPKU-KSSFIOAISA-N -1 0 335.469 3.545 20 0 EHADRM COc1cccc([C@@H](C)CCCC(=O)Nc2ccc(C(=O)[O-])cn2)c1 ZINC001604856931 974099523 /nfs/dbraw/zinc/09/95/23/974099523.db2.gz KGTAGBXYUHUOLQ-ZDUSSCGKSA-N -1 0 342.395 3.701 20 0 EHADRM Cc1ccc(CNC(=O)CC2(CC(=O)[O-])CCCC2)c(OC(C)C)c1 ZINC000445656354 974122365 /nfs/dbraw/zinc/12/23/65/974122365.db2.gz LRCFAHYCBDCQJM-UHFFFAOYSA-N -1 0 347.455 3.824 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)c1sccc1OC(F)F ZINC000449001585 974139369 /nfs/dbraw/zinc/13/93/69/974139369.db2.gz KVMBHFLGCDVSFL-SNVBAGLBSA-N -1 0 347.383 3.503 20 0 EHADRM CCOc1ccccc1NC(=O)[C@H](SCC(=O)[O-])c1ccccc1 ZINC001605713870 974146431 /nfs/dbraw/zinc/14/64/31/974146431.db2.gz GPYQFASZKZMPFL-QGZVFWFLSA-N -1 0 345.420 3.583 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)c1cccc(C(F)F)c1 ZINC000450524155 974147276 /nfs/dbraw/zinc/14/72/76/974147276.db2.gz MBBMJHGTJDIKHK-AWEZNQCLSA-N -1 0 325.355 3.778 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)N[C@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000455895494 974164547 /nfs/dbraw/zinc/16/45/47/974164547.db2.gz COLHYMSGSDBQNM-DYVFJYSZSA-N -1 0 345.826 3.710 20 0 EHADRM CC(C)(CCNC(=O)c1ccccc1OC1CCCCC1)C(=O)[O-] ZINC000455905384 974166020 /nfs/dbraw/zinc/16/60/20/974166020.db2.gz QZUMAUASWYOJBG-UHFFFAOYSA-N -1 0 333.428 3.629 20 0 EHADRM CCCC[C@@H](C)C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000455930081 974171383 /nfs/dbraw/zinc/17/13/83/974171383.db2.gz NVMJHTRIPHAFSW-ZWNOBZJWSA-N -1 0 331.334 3.931 20 0 EHADRM COC(=O)c1nc(-c2cccc(C(=O)[O-])c2)sc1-c1ccccc1 ZINC000460503031 974183004 /nfs/dbraw/zinc/18/30/04/974183004.db2.gz XPUQQXNPZLMYKB-UHFFFAOYSA-N -1 0 339.372 3.962 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000478837888 974209109 /nfs/dbraw/zinc/20/91/09/974209109.db2.gz KNMBGRZBPJIACE-NSHDSACASA-N -1 0 349.789 3.881 20 0 EHADRM CCO[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])c(C)c1)c1ccccc1 ZINC001603824356 974315157 /nfs/dbraw/zinc/31/51/57/974315157.db2.gz NADNKGBJZFFWDP-KRWDZBQOSA-N -1 0 342.395 3.593 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)NCC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000517391136 974318355 /nfs/dbraw/zinc/31/83/55/974318355.db2.gz NUVXFNCOAHUZOY-NSHDSACASA-N -1 0 345.361 3.600 20 0 EHADRM Cc1ccc(C[C@H](Sc2nnc(C(F)(F)F)s2)C(=O)[O-])cc1 ZINC000517588208 974319057 /nfs/dbraw/zinc/31/90/57/974319057.db2.gz KTMAZTWGGCVJSQ-VIFPVBQESA-N -1 0 348.371 3.653 20 0 EHADRM Cc1cc(-c2ccccc2)ccc1NC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000518498146 974323590 /nfs/dbraw/zinc/32/35/90/974323590.db2.gz PVOKEMPOOJQCMD-FQEVSTJZSA-N -1 0 338.407 3.991 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2ccc3c(c2)CCCC3=O)CCCC1 ZINC000519588348 974330510 /nfs/dbraw/zinc/33/05/10/974330510.db2.gz MONFBOUFKLHLKA-UHFFFAOYSA-N -1 0 329.396 3.569 20 0 EHADRM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000520612866 974340396 /nfs/dbraw/zinc/34/03/96/974340396.db2.gz ZEIQRMNGXQMQOD-JJRVBVJISA-N -1 0 333.428 3.799 20 0 EHADRM Cc1ccc2[nH]c(C(=O)Nc3ccc(OCC(=O)[O-])cc3C)cc2c1 ZINC000532258139 974373767 /nfs/dbraw/zinc/37/37/67/974373767.db2.gz VLPKHIUECGIGMA-UHFFFAOYSA-N -1 0 338.363 3.500 20 0 EHADRM COc1ccc(NC(=O)CCc2ccccc2C(=O)[O-])cc1Cl ZINC000537475104 974384542 /nfs/dbraw/zinc/38/45/42/974384542.db2.gz UKZPVXMLVRIBKL-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CC2(CCCC2)c2ccccc21 ZINC000538575161 974390809 /nfs/dbraw/zinc/39/08/09/974390809.db2.gz OQXZJLIUQUBILX-UHFFFAOYSA-N -1 0 335.403 3.786 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 ZINC000540671679 974404310 /nfs/dbraw/zinc/40/43/10/974404310.db2.gz BNWXKDUVWVRKGO-LLVKDONJSA-N -1 0 343.876 3.970 20 0 EHADRM COc1cccc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)c1F ZINC000540704387 974406243 /nfs/dbraw/zinc/40/62/43/974406243.db2.gz YWUPJEZJJPXXBC-UHFFFAOYSA-N -1 0 347.342 3.572 20 0 EHADRM CCc1c2ccccc2oc1C(=O)N1CCC[C@@](CC)(C(=O)[O-])C1 ZINC001603960135 974437335 /nfs/dbraw/zinc/43/73/35/974437335.db2.gz AKJYUDADSLHYGX-LJQANCHMSA-N -1 0 329.396 3.712 20 0 EHADRM Cc1cc(CN2C[C@@H](c3cccc(Cl)c3)OC[C@H]2C)oc1C(=O)[O-] ZINC000564091831 974543452 /nfs/dbraw/zinc/54/34/52/974543452.db2.gz DDMRQKZIALTBSM-WBMJQRKESA-N -1 0 349.814 3.902 20 0 EHADRM CCCc1ncc(CNc2nc(C)nc3sc(C(=O)[O-])c(C)c32)o1 ZINC000565036422 974563316 /nfs/dbraw/zinc/56/33/16/974563316.db2.gz RLVAAGNODGVJMM-UHFFFAOYSA-N -1 0 346.412 3.559 20 0 EHADRM CSc1ccc(CCCC(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000567113946 974627636 /nfs/dbraw/zinc/62/76/36/974627636.db2.gz ZDGUSFDPXNUIAR-UHFFFAOYSA-N -1 0 343.448 3.997 20 0 EHADRM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000568110336 974662855 /nfs/dbraw/zinc/66/28/55/974662855.db2.gz UTAJFBFWCNZDTD-JJRVBVJISA-N -1 0 333.428 3.799 20 0 EHADRM Cc1cc(CN(C)Cc2ccc(Br)s2)oc1C(=O)[O-] ZINC000569011028 974682605 /nfs/dbraw/zinc/68/26/05/974682605.db2.gz UOVFDEDIWIEOPP-UHFFFAOYSA-N -1 0 344.230 3.742 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000569384069 974690958 /nfs/dbraw/zinc/69/09/58/974690958.db2.gz JJDRXPSIHQPCOR-JXFKEZNVSA-N -1 0 331.456 3.752 20 0 EHADRM CC(C)(C)c1cc(N2CCC3(C[C@@H]3C(=O)[O-])CC2)nc(C(C)(C)C)n1 ZINC000569490180 974693458 /nfs/dbraw/zinc/69/34/58/974693458.db2.gz SPDDETQSZYVJSA-CYBMUJFWSA-N -1 0 345.487 3.763 20 0 EHADRM Cc1cc([C@@H]2CN(Cc3ccc(F)cc3C(=O)[O-])CCO2)ccc1F ZINC000570220034 974707344 /nfs/dbraw/zinc/70/73/44/974707344.db2.gz QNVAWZYPWFLDBS-SFHVURJKSA-N -1 0 347.361 3.545 20 0 EHADRM CC1(C)C[C@H](c2ccccc2)N(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C1 ZINC000570805283 974718446 /nfs/dbraw/zinc/71/84/46/974718446.db2.gz NIBQAVJWVHZVGY-IXDOHACOSA-N -1 0 329.440 3.877 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)CCC2CCCCC2)nc1C1CC1 ZINC000571645024 974732430 /nfs/dbraw/zinc/73/24/30/974732430.db2.gz KMQUMOJRVNRODT-UHFFFAOYSA-N -1 0 330.428 3.634 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCC[C@@H]2c2cccc(Cl)c2)nc1 ZINC000571732556 974735234 /nfs/dbraw/zinc/73/52/34/974735234.db2.gz VDMRFSRWJYRKBT-MRXNPFEDSA-N -1 0 344.798 3.801 20 0 EHADRM Cc1sc(CC(=O)Nc2cc(C(=O)[O-])ccc2F)nc1C(C)C ZINC000909320317 1014213039 /nfs/dbraw/zinc/21/30/39/1014213039.db2.gz ICHYINMOUUSUHO-UHFFFAOYSA-N -1 0 336.388 3.593 20 0 EHADRM O=C([O-])[C@@H](C[C@H]1CCCc2ccccc21)NC(=O)Nc1ccccc1 ZINC000572223876 974743856 /nfs/dbraw/zinc/74/38/56/974743856.db2.gz ZPGDDPHRFSGEQY-CRAIPNDOSA-N -1 0 338.407 3.772 20 0 EHADRM Nc1ccc(-c2nccn2-c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc1 ZINC001211487832 1014214856 /nfs/dbraw/zinc/21/48/56/1014214856.db2.gz RJCSALWIIBKNGW-UHFFFAOYSA-N -1 0 347.296 3.839 20 0 EHADRM Cc1cc(C(=O)NC2(CC(=O)[O-])CCC2)sc1-c1ccccc1 ZINC000574464945 974783249 /nfs/dbraw/zinc/78/32/49/974783249.db2.gz YSJXVJATNYTPCA-UHFFFAOYSA-N -1 0 329.421 3.851 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000577746764 974841216 /nfs/dbraw/zinc/84/12/16/974841216.db2.gz FYVXJSPAHGGZEA-NSHDSACASA-N -1 0 343.345 3.702 20 0 EHADRM Cc1ccc(OCc2nc(CN(CC(=O)[O-])CC(C)C)cs2)cc1 ZINC000579603506 974879060 /nfs/dbraw/zinc/87/90/60/974879060.db2.gz ZJSYQDPCCSNRNG-UHFFFAOYSA-N -1 0 348.468 3.573 20 0 EHADRM CC(C)(C)c1ccnc(NCc2ccc(OCCCC(=O)[O-])cc2)n1 ZINC000580556424 974895966 /nfs/dbraw/zinc/89/59/66/974895966.db2.gz PZFFZHKHSHZXGA-UHFFFAOYSA-N -1 0 343.427 3.630 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCc3sc(Cl)cc3C2)c1 ZINC000584234473 974952386 /nfs/dbraw/zinc/95/23/86/974952386.db2.gz DQBQHEPKQCTRRE-UHFFFAOYSA-N -1 0 335.812 3.607 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000595244456 974992211 /nfs/dbraw/zinc/99/22/11/974992211.db2.gz ZHRHRDXKHHWQIH-BMFZPTHFSA-N -1 0 333.453 3.769 20 0 EHADRM CCCc1nc(C)c(C(=O)N(CCC(=O)[O-])Cc2ccccc2)s1 ZINC000606148904 975015082 /nfs/dbraw/zinc/01/50/82/975015082.db2.gz RXPVJBZPXZHKFZ-UHFFFAOYSA-N -1 0 346.452 3.521 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccs1 ZINC000611826301 975019145 /nfs/dbraw/zinc/01/91/45/975019145.db2.gz KTAYZCOMPBIYBT-DCAQKATOSA-N -1 0 349.374 3.749 20 0 EHADRM Cc1cccc(-c2cncc(C(=O)N3CCCCC[C@H]3C(=O)[O-])c2)c1 ZINC000621569956 975036107 /nfs/dbraw/zinc/03/61/07/975036107.db2.gz OBOZFWXQRLCEDY-SFHVURJKSA-N -1 0 338.407 3.526 20 0 EHADRM O=C([O-])[C@@H]1CCCCCN1C(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000621568592 975036185 /nfs/dbraw/zinc/03/61/85/975036185.db2.gz ZWEURXAJHWHKBD-SFHVURJKSA-N -1 0 336.391 3.791 20 0 EHADRM C[C@H](C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccc(Cl)s1 ZINC000621611817 975060736 /nfs/dbraw/zinc/06/07/36/975060736.db2.gz LZMHYNKDDAFNJN-BQBZGAKWSA-N -1 0 344.845 3.537 20 0 EHADRM O=C([O-])[C@@H]1CC[N@H+](Cc2ncc(-c3cccc(F)c3)o2)[C@@H]2CCC[C@@H]21 ZINC000629373313 975087634 /nfs/dbraw/zinc/08/76/34/975087634.db2.gz HVXMSADLIUSYGM-BZUAXINKSA-N -1 0 344.386 3.556 20 0 EHADRM Cc1cc(C(=O)N2CCCC[C@@H]2Cc2ccc(F)cc2)oc1C(=O)[O-] ZINC000630152220 975131405 /nfs/dbraw/zinc/13/14/05/975131405.db2.gz QHYWCPLSRGJRCF-OAHLLOKOSA-N -1 0 345.370 3.663 20 0 EHADRM CCOc1cccc(CCC(=O)NCC2(CC(=O)[O-])CCCCC2)c1 ZINC000630160159 975135684 /nfs/dbraw/zinc/13/56/84/975135684.db2.gz VGXMWOWEQGQXSR-UHFFFAOYSA-N -1 0 347.455 3.559 20 0 EHADRM Cc1cc(C(=O)N2C[C@@H](C)C[C@H]2c2cccc(F)c2)oc1C(=O)[O-] ZINC000630169728 975141011 /nfs/dbraw/zinc/14/10/11/975141011.db2.gz FKLGOXAMXPGTGO-HZMBPMFUSA-N -1 0 331.343 3.649 20 0 EHADRM COc1cc(NC(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)ccc1C(=O)[O-] ZINC000630184361 975146217 /nfs/dbraw/zinc/14/62/17/975146217.db2.gz LVWHEVPFMHVVRE-LSDHHAIUSA-N -1 0 343.354 3.665 20 0 EHADRM O=C([O-])CC[C@H](CC1CCCCC1)NC(=O)c1ocnc1C(F)F ZINC000630198155 975156320 /nfs/dbraw/zinc/15/63/20/975156320.db2.gz VXVLJUVVEAMNSW-LLVKDONJSA-N -1 0 344.358 3.546 20 0 EHADRM Cc1cccc([C@@H]2C[C@H]2C(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)c1 ZINC000630216336 975163632 /nfs/dbraw/zinc/16/36/32/975163632.db2.gz CVHAFWOZXVRJAX-YRPNKDGESA-N -1 0 349.430 3.915 20 0 EHADRM C[C@H]1CCC[C@@H](CC(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)C1 ZINC000630239599 975184194 /nfs/dbraw/zinc/18/41/94/975184194.db2.gz WPJOYJBFTMSDFM-QWHCGFSZSA-N -1 0 333.403 3.625 20 0 EHADRM CC1=CC[C@](C)(C(=O)N2CCC(c3ncc(C(=O)[O-])s3)CC2)CC1 ZINC000630244505 975190400 /nfs/dbraw/zinc/19/04/00/975190400.db2.gz IVHVJILLLMYIPU-SFHVURJKSA-N -1 0 348.468 3.684 20 0 EHADRM CC(C)[C@@H]1C[C@H](NC(=O)c2cccc(CC(=O)[O-])c2)c2ccccc21 ZINC000630267646 975210947 /nfs/dbraw/zinc/21/09/47/975210947.db2.gz MJGDGJNKTQYCQQ-OALUTQOASA-N -1 0 337.419 3.928 20 0 EHADRM Cc1cc(Cl)ccc1C1=CCN(C(=O)C[C@H](C)CC(=O)[O-])CC1 ZINC000630267764 975211205 /nfs/dbraw/zinc/21/12/05/975211205.db2.gz NIXLDZFCKRERSA-LBPRGKRZSA-N -1 0 335.831 3.765 20 0 EHADRM CC1(C)[C@H](c2ccc(F)cc2)CCN1C(=O)c1cc(C(=O)[O-])co1 ZINC000630267316 975211254 /nfs/dbraw/zinc/21/12/54/975211254.db2.gz IFRAJPJKPBQUHJ-AWEZNQCLSA-N -1 0 331.343 3.525 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)[C@@H]2CCC[C@@H]21 ZINC000630283285 975228337 /nfs/dbraw/zinc/22/83/37/975228337.db2.gz SBIPPVYSUMFOGP-MGPQQGTHSA-N -1 0 342.222 3.709 20 0 EHADRM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC000630294174 975234470 /nfs/dbraw/zinc/23/44/70/975234470.db2.gz GEDXZINEZNLSQY-ZFWWWQNUSA-N -1 0 341.382 3.617 20 0 EHADRM CSc1ccccc1CN(C)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000630295596 975235811 /nfs/dbraw/zinc/23/58/11/975235811.db2.gz IOCGSNMGIGAAPD-UHFFFAOYSA-N -1 0 343.448 3.698 20 0 EHADRM CN(C(=O)c1cc(C(=O)[O-])ccn1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000630295637 975235824 /nfs/dbraw/zinc/23/58/24/975235824.db2.gz TZEOXQZPWSBSEB-FUHWJXTLSA-N -1 0 338.407 3.578 20 0 EHADRM Cc1ccc([C@@H]2CCN(C(=O)CCc3ccc(C(=O)[O-])cc3)C2)cc1 ZINC000630295858 975235833 /nfs/dbraw/zinc/23/58/33/975235833.db2.gz NPRKEVKGYSCEQR-LJQANCHMSA-N -1 0 337.419 3.642 20 0 EHADRM Cc1ccc(SC[C@@H](C)NC(=O)c2cccc(CC(=O)[O-])c2)cc1 ZINC000630296832 975236330 /nfs/dbraw/zinc/23/63/30/975236330.db2.gz IIVGRHLHNNZJRV-CQSZACIVSA-N -1 0 343.448 3.533 20 0 EHADRM CC[C@H](CC(F)(F)F)NC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000630296661 975236336 /nfs/dbraw/zinc/23/63/36/975236336.db2.gz GPSNAYUMWWEQJO-NXEZZACHSA-N -1 0 349.374 3.713 20 0 EHADRM Cc1cc(C(F)(F)F)ccc1CNC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000630297441 975237152 /nfs/dbraw/zinc/23/71/52/975237152.db2.gz PEWOCDCTVLDGMU-HAQNSBGRSA-N -1 0 343.345 3.521 20 0 EHADRM Cc1cc(C(=O)N[C@H](C)CSc2ccc(C)cc2)oc1C(=O)[O-] ZINC000630298439 975237606 /nfs/dbraw/zinc/23/76/06/975237606.db2.gz WBCSHMRWZODBPS-GFCCVEGCSA-N -1 0 333.409 3.505 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000630300805 975239703 /nfs/dbraw/zinc/23/97/03/975239703.db2.gz BHZPTBJENMYKLW-ABAIWWIYSA-N -1 0 325.355 3.519 20 0 EHADRM CCCCN(C(=O)c1ccc(C(=O)[O-])s1)[C@@H]1CCCC[C@H]1OC ZINC000630302949 975240199 /nfs/dbraw/zinc/24/01/99/975240199.db2.gz MSHNCYHBDWZBTG-CHWSQXEVSA-N -1 0 339.457 3.646 20 0 EHADRM CCc1ccc(C2CCN(C(=O)c3cc(C)c(C(=O)[O-])o3)CC2)cc1 ZINC000630303505 975240637 /nfs/dbraw/zinc/24/06/37/975240637.db2.gz QFXMNPSLZRXKCL-UHFFFAOYSA-N -1 0 341.407 3.868 20 0 EHADRM C[C@@H](C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)c1ccccc1F ZINC000630327972 975255738 /nfs/dbraw/zinc/25/57/38/975255738.db2.gz BZIVVRQGZJTWTQ-XFBWCDHKSA-N -1 0 327.355 3.756 20 0 EHADRM Cc1cc(CNC(=O)C[C@H](C)Cc2ccc(Cl)cc2)oc1C(=O)[O-] ZINC000630331449 975259259 /nfs/dbraw/zinc/25/92/59/975259259.db2.gz MBFRCOJSWWSTFK-LLVKDONJSA-N -1 0 349.814 3.825 20 0 EHADRM Cc1cc(CCCC(=O)NCc2cc(C)c(C(=O)[O-])o2)c(C)s1 ZINC000630331141 975259564 /nfs/dbraw/zinc/25/95/64/975259564.db2.gz LFWPKLRGWIYVGR-UHFFFAOYSA-N -1 0 335.425 3.604 20 0 EHADRM Cc1c(Cl)cc(F)c(NC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1F ZINC000630566403 975267790 /nfs/dbraw/zinc/26/77/90/975267790.db2.gz ZWTBXHVLLJEXBH-IONNQARKSA-N -1 0 346.761 3.501 20 0 EHADRM Cc1ccc2c(CCNC(=O)CC3(CC(=O)[O-])CCCC3)c[nH]c2c1 ZINC000634876417 975280085 /nfs/dbraw/zinc/28/00/85/975280085.db2.gz OLISQYRXCDVKSU-UHFFFAOYSA-N -1 0 342.439 3.560 20 0 EHADRM CCC(CC)c1cc(CNC(=O)CC2(CC(=O)[O-])CCCC2)on1 ZINC000634890190 975280444 /nfs/dbraw/zinc/28/04/44/975280444.db2.gz UTCIABFBSOOGOC-UHFFFAOYSA-N -1 0 336.432 3.620 20 0 EHADRM CCCC[C@H](CC)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000642079595 975288005 /nfs/dbraw/zinc/28/80/05/975288005.db2.gz ZEDIZERZZLNNCP-ZDUSSCGKSA-N -1 0 342.439 3.967 20 0 EHADRM CC(C)(CCNC(=O)C(C)(C)c1ccc2ccccc2c1)C(=O)[O-] ZINC000643863089 975319120 /nfs/dbraw/zinc/31/91/20/975319120.db2.gz LHYHIYAREUMCBC-UHFFFAOYSA-N -1 0 327.424 3.735 20 0 EHADRM COCc1cc(NC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)cc(C(=O)[O-])c1 ZINC000644631779 975326879 /nfs/dbraw/zinc/32/68/79/975326879.db2.gz RSFQMSFAXPBYNO-HZPDHXFCSA-N -1 0 331.412 3.708 20 0 EHADRM C[C@@H]1SCC[C@@H]1NC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000649265678 975406352 /nfs/dbraw/zinc/40/63/52/975406352.db2.gz MVAIXXJPOIIBPZ-SJCJKPOMSA-N -1 0 341.432 3.676 20 0 EHADRM Cc1sc([C@H]2CCCN2c2ccnc(C(C)(C)C)n2)nc1C(=O)[O-] ZINC000649406217 975418252 /nfs/dbraw/zinc/41/82/52/975418252.db2.gz XJTIRGQOBXEUNE-LLVKDONJSA-N -1 0 346.456 3.579 20 0 EHADRM CC(C)Nc1cccc(F)c1NC(=O)Cc1ccccc1C(=O)[O-] ZINC001591672122 975432629 /nfs/dbraw/zinc/43/26/29/975432629.db2.gz MDNHNPQTKRIPPF-UHFFFAOYSA-N -1 0 330.359 3.525 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000652059931 975462113 /nfs/dbraw/zinc/46/21/13/975462113.db2.gz MHVKTBDXRCMSQY-QWHCGFSZSA-N -1 0 329.421 3.652 20 0 EHADRM CC(C)O[C@H](COC(=O)c1cscc1C(=O)[O-])c1ccccc1 ZINC001591685808 975485737 /nfs/dbraw/zinc/48/57/37/975485737.db2.gz ANSYFMBIOQNUSO-OAHLLOKOSA-N -1 0 334.393 3.769 20 0 EHADRM Cc1ncsc1CN(C)[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000652409359 975524503 /nfs/dbraw/zinc/52/45/03/975524503.db2.gz PZKAGCFXGRYQAJ-ZDUSSCGKSA-N -1 0 328.796 3.502 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)c1cccc(Nc2ccccc2)c1 ZINC000653320957 975583540 /nfs/dbraw/zinc/58/35/40/975583540.db2.gz ZMDVOGCOIDOGES-GOSISDBHSA-N -1 0 338.407 3.900 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1cccc(CC(=O)[O-])c1 ZINC000653639394 975604603 /nfs/dbraw/zinc/60/46/03/975604603.db2.gz ONMYYGAUTYJQMD-OAHLLOKOSA-N -1 0 339.435 3.800 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N2CCCCC[C@H]2c2ccco2)c1 ZINC000653640857 975607649 /nfs/dbraw/zinc/60/76/49/975607649.db2.gz PNFKUTUDOXYWPS-INIZCTEOSA-N -1 0 327.380 3.664 20 0 EHADRM CC(C)OC[C@@H](OC(=O)c1ccc(C(=O)[O-])cc1)c1cccc(F)c1 ZINC001591717774 975623562 /nfs/dbraw/zinc/62/35/62/975623562.db2.gz KHVVWTQVQPLNLY-QGZVFWFLSA-N -1 0 346.354 3.847 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000656237330 975652073 /nfs/dbraw/zinc/65/20/73/975652073.db2.gz SCVLXWSTEBLUTQ-NXEZZACHSA-N -1 0 332.227 3.542 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000659120238 975717360 /nfs/dbraw/zinc/71/73/60/975717360.db2.gz ODZCPTTYERQOGN-UHFFFAOYSA-N -1 0 337.759 3.979 20 0 EHADRM O=C([O-])[C@H]1CC12CCN(C(=O)c1cc3cc(Cl)ccc3s1)CC2 ZINC000659119897 975717653 /nfs/dbraw/zinc/71/76/53/975717653.db2.gz JZDDECMFOSPQIO-GFCCVEGCSA-N -1 0 349.839 3.882 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2cc(C(=O)[O-])oc2C)o1 ZINC000659122252 975722161 /nfs/dbraw/zinc/72/21/61/975722161.db2.gz CQBIHLWZKYHIQC-HZMBPMFUSA-N -1 0 331.368 3.801 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)C1CCC(C2CC2)CC1)c1ccccc1 ZINC000659126077 975725571 /nfs/dbraw/zinc/72/55/71/975725571.db2.gz TUCCSZNSPLTQII-VMWRSERWSA-N -1 0 329.440 3.925 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC000659130706 975730571 /nfs/dbraw/zinc/73/05/71/975730571.db2.gz FSSDRIJBQHAQSD-HUUCEWRRSA-N -1 0 331.412 3.613 20 0 EHADRM Cc1ccc([C@H](CNC(=O)C2CC3(C2)CCCCC3)C(=O)[O-])cc1 ZINC000659135244 975735369 /nfs/dbraw/zinc/73/53/69/975735369.db2.gz ODINJSZOJWPMPK-KRWDZBQOSA-N -1 0 329.440 3.640 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)cc1 ZINC000659145270 975745668 /nfs/dbraw/zinc/74/56/68/975745668.db2.gz NSZHRGJKDOBLNN-SHTZXODSSA-N -1 0 331.412 3.695 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000659148733 975750678 /nfs/dbraw/zinc/75/06/78/975750678.db2.gz WSKHDOUECYIYQF-ZDUSSCGKSA-N -1 0 349.770 3.583 20 0 EHADRM CC(C)Oc1c(NC(=O)/C=C/c2ccc(O)cc2)cccc1C(=O)[O-] ZINC001591741330 975752065 /nfs/dbraw/zinc/75/20/65/975752065.db2.gz GDCCWIOITSSUNC-DHZHZOJOSA-N -1 0 341.363 3.530 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000659153708 975754372 /nfs/dbraw/zinc/75/43/72/975754372.db2.gz KTTLALUQQHWXFI-UHFFFAOYSA-N -1 0 347.798 3.959 20 0 EHADRM CC[C@@](CNC(=O)[C@H]1CCCC2(CC2)C1)(C(=O)[O-])c1ccccc1 ZINC000659161111 975760531 /nfs/dbraw/zinc/76/05/31/975760531.db2.gz RCUQSDROUPBLNR-YWZLYKJASA-N -1 0 329.440 3.506 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2)C1 ZINC000659166955 975765975 /nfs/dbraw/zinc/76/59/75/975765975.db2.gz XSRVMIOZZPJVAH-MNOVXSKESA-N -1 0 330.211 3.501 20 0 EHADRM CC(C)Oc1c(NC(=O)N[C@H]2C[C@@]2(C)C(C)C)cccc1C(=O)[O-] ZINC001591744234 975766785 /nfs/dbraw/zinc/76/67/85/975766785.db2.gz KIZDIRUJJRDVBT-KSSFIOAISA-N -1 0 334.416 3.728 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3o2)[C@H]2CCCC[C@@H]12 ZINC000659194422 975794374 /nfs/dbraw/zinc/79/43/74/975794374.db2.gz LHEYRUIBKGOMFY-ZNMIVQPWSA-N -1 0 345.370 3.677 20 0 EHADRM CSc1ccccc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000659194701 975795636 /nfs/dbraw/zinc/79/56/36/975795636.db2.gz MNFOIXKVWPKAHT-KCQAQPDRSA-N -1 0 333.453 3.514 20 0 EHADRM C[C@H](CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21)c1ccccc1F ZINC000659195611 975798728 /nfs/dbraw/zinc/79/87/28/975798728.db2.gz QAGQFPCTDJQZTR-KBEGMRNHSA-N -1 0 347.430 3.811 20 0 EHADRM C[C@]1(CNC(=O)c2ccccc2-c2ccccc2C(=O)[O-])CC1(F)F ZINC000659199621 975805324 /nfs/dbraw/zinc/80/53/24/975805324.db2.gz UPCKNHHLCQNEKL-GOSISDBHSA-N -1 0 345.345 3.827 20 0 EHADRM O=C([O-])C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21)C1CC1 ZINC000659207836 975817080 /nfs/dbraw/zinc/81/70/80/975817080.db2.gz CYPAWUJPVGDKOD-ATZDWAIDSA-N -1 0 337.419 3.560 20 0 EHADRM Cc1c(C(=O)NC[C@H](CC(=O)[O-])C2CC2)oc2c1c(C)ccc2C ZINC000659209731 975820730 /nfs/dbraw/zinc/82/07/30/975820730.db2.gz LAKHBJVMQKULOB-AWEZNQCLSA-N -1 0 329.396 3.589 20 0 EHADRM C[C@H](C(=O)NC[C@@H](CC(=O)[O-])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000659210437 975821392 /nfs/dbraw/zinc/82/13/92/975821392.db2.gz TWWGJSBSIBDWGK-JOYOIKCWSA-N -1 0 344.238 3.714 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N2CCCC[C@H]2CC2CCC2)cc1 ZINC000659232815 975842324 /nfs/dbraw/zinc/84/23/24/975842324.db2.gz PNCQLCOVGQGUTH-SFHVURJKSA-N -1 0 329.440 3.889 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N[C@@H](C)c1cscn1 ZINC001591766979 975873055 /nfs/dbraw/zinc/87/30/55/975873055.db2.gz CCKNYJWQYLZBQY-JTQLQIEISA-N -1 0 349.412 3.511 20 0 EHADRM CC(C)(c1ccc(C(=O)NCCCCCC(=O)[O-])cc1)C(F)(F)F ZINC000668273142 975979495 /nfs/dbraw/zinc/97/94/95/975979495.db2.gz UWWVJUFGXRABMH-UHFFFAOYSA-N -1 0 345.361 3.901 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)C2)cc1 ZINC000668300751 975991251 /nfs/dbraw/zinc/99/12/51/975991251.db2.gz VKJZBLAIQMOKRA-DZOHQFGASA-N -1 0 329.440 3.590 20 0 EHADRM CCCc1nc(C)c(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)s1 ZINC000669434817 976001847 /nfs/dbraw/zinc/00/18/47/976001847.db2.gz LDGLISSYICGBGQ-ZDUSSCGKSA-N -1 0 344.436 3.623 20 0 EHADRM CC(C)Oc1cccc(NC(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC001591796173 976006909 /nfs/dbraw/zinc/00/69/09/976006909.db2.gz CTVOVRUVOSDKBR-UHFFFAOYSA-N -1 0 328.368 3.745 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc(-c2ccccc2F)o1)C1CCCCC1 ZINC000675993388 976024147 /nfs/dbraw/zinc/02/41/47/976024147.db2.gz JGEBTFAQOJMIPJ-UHFFFAOYSA-N -1 0 345.370 3.945 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CCC(=O)N(CC(=O)[O-])C2CCCCC2)o1 ZINC000675993276 976024748 /nfs/dbraw/zinc/02/47/48/976024748.db2.gz CTLKNYUAVUIDGC-XJKSGUPXSA-N -1 0 333.428 3.582 20 0 EHADRM CC(C)Oc1ccccc1C[S@](=O)CCc1ccccc1C(=O)[O-] ZINC001591804606 976030023 /nfs/dbraw/zinc/03/00/23/976030023.db2.gz LWNLRIVKCBQFQM-XMMPIXPASA-N -1 0 346.448 3.663 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)c1ccccc1CCC(=O)[O-] ZINC001591804822 976032242 /nfs/dbraw/zinc/03/22/42/976032242.db2.gz ZJJHTMMEYFQECL-UHFFFAOYSA-N -1 0 327.380 3.743 20 0 EHADRM Cc1ccc(CCCC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000679100887 976042958 /nfs/dbraw/zinc/04/29/58/976042958.db2.gz DZHKFIKGEVXLHG-KRWDZBQOSA-N -1 0 331.456 3.667 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000679105149 976047100 /nfs/dbraw/zinc/04/71/00/976047100.db2.gz KTNPFYBJZWLWBM-WBVHZDCISA-N -1 0 347.455 3.502 20 0 EHADRM CC(C)Sc1ccc(C(=O)N[C@H](CC(=O)[O-])C2CCCC2)cc1 ZINC001591828107 976082374 /nfs/dbraw/zinc/08/23/74/976082374.db2.gz ABYJJZGJBYVCSQ-MRXNPFEDSA-N -1 0 335.469 3.950 20 0 EHADRM CC(C)c1[nH]c(CN2CCC[C@H](C(F)(F)F)[C@H]2C)cc1C(=O)[O-] ZINC001591912333 976341642 /nfs/dbraw/zinc/34/16/42/976341642.db2.gz KIDVDUUXAFUEPN-MFKMUULPSA-N -1 0 332.366 3.999 20 0 EHADRM CC(C)c1[nH]ccc1C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC001591921056 976392617 /nfs/dbraw/zinc/39/26/17/976392617.db2.gz OZVYLSQTTFQJCF-UHFFFAOYSA-N -1 0 344.396 3.540 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1[nH]c2ccc(F)cc2c1Cl ZINC000579734395 1014327507 /nfs/dbraw/zinc/32/75/07/1014327507.db2.gz JHKNGFZVFXYMEO-LBPRGKRZSA-N -1 0 340.782 3.532 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1Cl ZINC001591943222 976476545 /nfs/dbraw/zinc/47/65/45/976476545.db2.gz ORGKFWOWMGGDCJ-KRWDZBQOSA-N -1 0 345.826 3.889 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)cc1 ZINC001591947664 976492763 /nfs/dbraw/zinc/49/27/63/976492763.db2.gz QKGRGLDQKXICLR-HDMKZQKVSA-N -1 0 331.456 3.873 20 0 EHADRM CC(C)c1ccc(C(=O)Oc2ccc(N(C)C)c(C(=O)[O-])c2)cc1 ZINC001591947850 976495131 /nfs/dbraw/zinc/49/51/31/976495131.db2.gz ZDQAMQJCKVEDHV-UHFFFAOYSA-N -1 0 327.380 3.793 20 0 EHADRM CC(C)c1ccc(C2(C(=O)NC3CC(CC(=O)[O-])C3)CCCC2)cc1 ZINC001591948506 976501036 /nfs/dbraw/zinc/50/10/36/976501036.db2.gz HINFGHIOTLXQJK-UHFFFAOYSA-N -1 0 343.467 3.991 20 0 EHADRM CC(C)c1ccc(C2(C(=O)Nc3ccc(C(=O)[O-])nc3)CCC2)cc1 ZINC001591949070 976505034 /nfs/dbraw/zinc/50/50/34/976505034.db2.gz QJKCXVIIHLUZPR-UHFFFAOYSA-N -1 0 338.407 3.964 20 0 EHADRM CC(C)c1ccc(CCCNC(=O)NCC(C)(C)CC(=O)[O-])cc1 ZINC001591952398 976509828 /nfs/dbraw/zinc/50/98/28/976509828.db2.gz CCQDEZRUXMNLNT-UHFFFAOYSA-N -1 0 334.460 3.543 20 0 EHADRM CC(C)c1ccc2c(Cl)c(C(=O)N3CC(C(=O)[O-])C3)sc2c1 ZINC001591974341 976587423 /nfs/dbraw/zinc/58/74/23/976587423.db2.gz TYSFHABAESAEDS-UHFFFAOYSA-N -1 0 337.828 3.835 20 0 EHADRM CC(C)c1cccc(C(C)C)c1NC(=S)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001591987349 976612541 /nfs/dbraw/zinc/61/25/41/976612541.db2.gz OKZPQVCHFMXINR-IUODEOHRSA-N -1 0 334.485 3.941 20 0 EHADRM CC(C)c1ccccc1NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001591998551 976645523 /nfs/dbraw/zinc/64/55/23/976645523.db2.gz OBDFIXVYVVBWGZ-AUUYWEPGSA-N -1 0 330.428 3.919 20 0 EHADRM CC(C)c1cnc(COC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)s1 ZINC001592002542 976650427 /nfs/dbraw/zinc/65/04/27/976650427.db2.gz HNGDBVDBCBVQHN-UGSOOPFHSA-N -1 0 345.420 3.568 20 0 EHADRM CC(C)c1cnc(COC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)s1 ZINC001592002539 976650512 /nfs/dbraw/zinc/65/05/12/976650512.db2.gz HNGDBVDBCBVQHN-ACJLOTCBSA-N -1 0 345.420 3.568 20 0 EHADRM CC(C)c1cnc(SCCOc2ccc(/C=C\C(=O)[O-])cc2)n1C ZINC001592002896 976656464 /nfs/dbraw/zinc/65/64/64/976656464.db2.gz RJURPIAUCIPQFA-TWGQIWQCSA-N -1 0 346.452 3.812 20 0 EHADRM CC(C)c1cnc(S[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])n1C ZINC001592003137 976658117 /nfs/dbraw/zinc/65/81/17/976658117.db2.gz VUFCBUHERAHMGA-CQSZACIVSA-N -1 0 338.860 3.985 20 0 EHADRM CC(C)c1nc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2O)cs1 ZINC001592011557 976689069 /nfs/dbraw/zinc/68/90/69/976689069.db2.gz LYQQJJFAIOACSX-UHFFFAOYSA-N -1 0 340.788 3.576 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)N3CC[C@@H](C(=O)[O-])[C@H]3C)cc2s1 ZINC001592031490 976741457 /nfs/dbraw/zinc/74/14/57/976741457.db2.gz FZJYGVWSPBYPOE-ZYHUDNBSSA-N -1 0 347.440 3.747 20 0 EHADRM CC(C)c1nsc(CN[C@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)n1 ZINC001592105390 976877566 /nfs/dbraw/zinc/87/75/66/976877566.db2.gz DZOYMTHXVUDWBY-KPZWWZAWSA-N -1 0 345.468 3.629 20 0 EHADRM CC(C)c1ocnc1C(=O)Oc1cccc2c(CC(=O)[O-])cccc12 ZINC001592108157 976891593 /nfs/dbraw/zinc/89/15/93/976891593.db2.gz LSSUAACILAMUHO-UHFFFAOYSA-N -1 0 339.347 3.798 20 0 EHADRM CC(C)c1sc(NC(=O)c2cc3ccccc3n2C)nc1C(=O)[O-] ZINC001592114919 976910568 /nfs/dbraw/zinc/91/05/68/976910568.db2.gz OEBYCGUKEPQIJT-UHFFFAOYSA-N -1 0 343.408 3.709 20 0 EHADRM CC(C)n1ncc2ccc(NC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)cc21 ZINC001592163426 977053502 /nfs/dbraw/zinc/05/35/02/977053502.db2.gz FRHKEEULOKTFBV-OAHLLOKOSA-N -1 0 346.431 3.628 20 0 EHADRM C[C@@H](CC(=O)NCc1ccc(Cl)c(C(=O)[O-])n1)CC(C)(C)C ZINC001592252572 977482174 /nfs/dbraw/zinc/48/21/74/977482174.db2.gz NAJJTCXJMWRKTB-JTQLQIEISA-N -1 0 326.824 3.512 20 0 EHADRM C[C@@H](CC(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1)C1CCCCC1 ZINC001592255167 977494971 /nfs/dbraw/zinc/49/49/71/977494971.db2.gz ZXCAOJPQTJDYGX-GUYCJALGSA-N -1 0 335.419 3.717 20 0 EHADRM C[C@@H](CC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)c1ccncc1 ZINC001592261906 977504442 /nfs/dbraw/zinc/50/44/42/977504442.db2.gz JEFHQVWVVUOZPB-VIFPVBQESA-N -1 0 336.750 3.705 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)CCC1CCCCCC1)c1cccnc1 ZINC001592280200 977566812 /nfs/dbraw/zinc/56/68/12/977566812.db2.gz AYDOQBGHOSGUCZ-LJQANCHMSA-N -1 0 332.444 3.638 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)Nc1cc(Cl)c(Cl)cc1F)C1CC1 ZINC001592289094 977604334 /nfs/dbraw/zinc/60/43/34/977604334.db2.gz DDDKNKKFFIPWCG-CQSZACIVSA-N -1 0 349.189 3.897 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)c1cc2occc2s1)c1cccc(F)c1 ZINC001592304817 977667747 /nfs/dbraw/zinc/66/77/47/977667747.db2.gz QGAYMZHURXWGFW-KRWDZBQOSA-N -1 0 347.367 3.753 20 0 EHADRM C[C@](CC(=O)[O-])(NCc1cccc(Cl)c1Cl)c1ccccn1 ZINC001592327508 977741060 /nfs/dbraw/zinc/74/10/60/977741060.db2.gz BXUCRCRAUIBCGH-MRXNPFEDSA-N -1 0 339.222 3.868 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)NC1(c2ccc(C(C)(C)C)cc2)CCCC1 ZINC001592346020 977816182 /nfs/dbraw/zinc/81/61/82/977816182.db2.gz UPUXFQSTDQJBSE-AWEZNQCLSA-N -1 0 331.456 3.980 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCC[C@H]1Cc1c(F)cccc1Cl ZINC001592374701 977902634 /nfs/dbraw/zinc/90/26/34/977902634.db2.gz DIDIXVYNYPCOQS-NEPJUHHUSA-N -1 0 341.810 3.514 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)O[C@@H]1CCOc2cc(Cl)cc(Cl)c21 ZINC001592394719 977946654 /nfs/dbraw/zinc/94/66/54/977946654.db2.gz DQFJCCFFCNPETO-LDYMZIIASA-N -1 0 347.194 3.861 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)OCc1ccc(Br)cc1Cl ZINC001592401613 977967412 /nfs/dbraw/zinc/96/74/12/977967412.db2.gz KJPKVAJPSKDGID-MRVPVSSYSA-N -1 0 349.608 3.647 20 0 EHADRM C[C@H](CC(=O)OC1CC(CC(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC001592429603 978056740 /nfs/dbraw/zinc/05/67/40/978056740.db2.gz OABXHDGJSAXAQD-CDWSIMAYSA-N -1 0 344.329 3.996 20 0 EHADRM C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)Oc1ccccc1C(=O)[O-] ZINC001592438549 978083498 /nfs/dbraw/zinc/08/34/98/978083498.db2.gz RUAFGGZRFGVHTH-LLVKDONJSA-N -1 0 346.766 3.853 20 0 EHADRM C[C@@H](CC(C)(C)CC(=O)[O-])Nc1cccc(C(=O)NC(C)(C)C)c1 ZINC001592446356 978124376 /nfs/dbraw/zinc/12/43/76/978124376.db2.gz WUOWVWRTWYDYEE-ZDUSSCGKSA-N -1 0 334.460 3.906 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001592453682 978155858 /nfs/dbraw/zinc/15/58/58/978155858.db2.gz QRLOPMNFZMPTHR-GDBMZVCRSA-N -1 0 346.471 3.543 20 0 EHADRM C[C@@H](CC1CCCC1)C(=O)Nc1cc(C(F)(F)F)cnc1C(=O)[O-] ZINC001592466298 978212187 /nfs/dbraw/zinc/21/21/87/978212187.db2.gz VTDLRRJMJBWOTG-VIFPVBQESA-N -1 0 344.333 3.954 20 0 EHADRM C[C@H](CCC(=O)NC[C@H](C(=O)[O-])C1CCCCC1)c1ccccc1 ZINC001592471777 978233747 /nfs/dbraw/zinc/23/37/47/978233747.db2.gz VNDLIHJXENMTEX-QAPCUYQASA-N -1 0 331.456 3.968 20 0 EHADRM C[C@H](CCC(C)(C)C)C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001592479175 978256703 /nfs/dbraw/zinc/25/67/03/978256703.db2.gz ZRSVDEZBBILMKB-DJIMGWMZSA-N -1 0 331.456 3.776 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC001592492418 978286789 /nfs/dbraw/zinc/28/67/89/978286789.db2.gz SZFPGLVRRFNXTI-OAHLLOKOSA-N -1 0 337.419 3.933 20 0 EHADRM O=C([O-])c1ccc(Nc2cccc(F)c2CO)cc1C(F)(F)F ZINC001211490356 1014475125 /nfs/dbraw/zinc/47/51/25/1014475125.db2.gz URSQBDZUCBQSQD-UHFFFAOYSA-N -1 0 329.249 3.779 20 0 EHADRM C[C@@H](C(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1cccc(Cl)c1 ZINC000736213356 978309621 /nfs/dbraw/zinc/30/96/21/978309621.db2.gz ZDCIRIWQSKFBHL-LLVKDONJSA-N -1 0 329.783 3.684 20 0 EHADRM C[C@@H](CS[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000736616030 978345889 /nfs/dbraw/zinc/34/58/89/978345889.db2.gz IMPRDWQWBLJWFR-JGVFFNPUSA-N -1 0 336.240 3.774 20 0 EHADRM CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000736904481 978365661 /nfs/dbraw/zinc/36/56/61/978365661.db2.gz BYLLGRNOXPHDQN-AWEZNQCLSA-N -1 0 330.359 3.667 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c(Cl)cc1F ZINC000471114483 1014483012 /nfs/dbraw/zinc/48/30/12/1014483012.db2.gz FWZBUABKRFYWGI-UHFFFAOYSA-N -1 0 335.734 3.867 20 0 EHADRM CCC[C@H](CC1CCCC1)C(=O)N(C)c1nc(CC(=O)[O-])cs1 ZINC000736971807 978369737 /nfs/dbraw/zinc/36/97/37/978369737.db2.gz UYQNEYWYGGTLKB-CYBMUJFWSA-N -1 0 338.473 3.730 20 0 EHADRM C[C@H](CCNC(=O)NCc1ccc(C(=O)[O-])s1)CC(C)(C)C ZINC001592522190 978379288 /nfs/dbraw/zinc/37/92/88/978379288.db2.gz WVRIIARXWNYUBF-LLVKDONJSA-N -1 0 326.462 3.708 20 0 EHADRM C[C@@H](CCc1ccc(F)cc1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001592540026 978421574 /nfs/dbraw/zinc/42/15/74/978421574.db2.gz OQORJEVYZKPWHB-NSHDSACASA-N -1 0 333.334 3.870 20 0 EHADRM C[C@H](CCc1ccccc1F)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001592546294 978432431 /nfs/dbraw/zinc/43/24/31/978432431.db2.gz LXDLTWGTHDGROJ-CYBMUJFWSA-N -1 0 341.386 3.693 20 0 EHADRM C[C@H](CN(Cc1ccccc1)c1nc(C(C)(C)C)ns1)C(=O)[O-] ZINC001592610005 978559430 /nfs/dbraw/zinc/55/94/30/978559430.db2.gz ONJQPINJSLRZLG-GFCCVEGCSA-N -1 0 333.457 3.563 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)N2CC[C@H](c3ccccc3F)C2)c1 ZINC000740042415 978664507 /nfs/dbraw/zinc/66/45/07/978664507.db2.gz IOTNYIPURCRFIU-LBPRGKRZSA-N -1 0 343.358 3.937 20 0 EHADRM COc1ccccc1Oc1ccc(NC(=O)CCCC(=O)[O-])cc1F ZINC000753975481 978695493 /nfs/dbraw/zinc/69/54/93/978695493.db2.gz COQUFTNQYDPZJE-UHFFFAOYSA-N -1 0 347.342 3.820 20 0 EHADRM CC(C)[C@H](NC(=O)CCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000753977085 978695951 /nfs/dbraw/zinc/69/59/51/978695951.db2.gz RTFKEHRRBYTLOI-HNNXBMFYSA-N -1 0 331.334 3.774 20 0 EHADRM C/C(=C\C(=O)N(CCC(=O)[O-])Cc1ccccc1)c1ccc(F)cc1 ZINC000766813740 978724960 /nfs/dbraw/zinc/72/49/60/978724960.db2.gz VKPCQGLKZMJFBE-FYWRMAATSA-N -1 0 341.382 3.733 20 0 EHADRM CCSCc1ccc(C(=O)N2CCc3cc(C(=O)[O-])ccc32)cc1 ZINC000766845477 978727098 /nfs/dbraw/zinc/72/70/98/978727098.db2.gz CXMLMYANWICZPW-UHFFFAOYSA-N -1 0 341.432 3.841 20 0 EHADRM CN(Cc1ccc(Cl)cc1)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811814005 978856735 /nfs/dbraw/zinc/85/67/35/978856735.db2.gz PHHXBBJMVHHLLZ-UHFFFAOYSA-N -1 0 338.190 3.964 20 0 EHADRM CCc1nc([C@@H](C)NC(=O)c2cc(C(=O)[O-])ccc2Cl)cs1 ZINC000811817470 978861841 /nfs/dbraw/zinc/86/18/41/978861841.db2.gz VJJKNKIORFCZPB-MRVPVSSYSA-N -1 0 338.816 3.548 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)Nc2cc(F)c(F)c(F)c2)c1 ZINC000811820540 978864888 /nfs/dbraw/zinc/86/48/88/978864888.db2.gz ZYPJMBUFFJBKEJ-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM COc1ccc2c(c1)CCCN2C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811820232 978864926 /nfs/dbraw/zinc/86/49/26/978864926.db2.gz SGGNDQUKKMSLKG-UHFFFAOYSA-N -1 0 345.782 3.640 20 0 EHADRM CCS[C@H]1CC[C@H](N(C)C(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000811820987 978865012 /nfs/dbraw/zinc/86/50/12/978865012.db2.gz RQFJKTPKIAFDRV-RYUDHWBXSA-N -1 0 341.860 3.784 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000818810924 978923601 /nfs/dbraw/zinc/92/36/01/978923601.db2.gz JJEKEIFXTAGZLS-UHFFFAOYSA-N -1 0 342.782 3.940 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)/C=C\c1ccc(Cl)cc1)c1cccs1 ZINC000821790169 978926643 /nfs/dbraw/zinc/92/66/43/978926643.db2.gz HAQLJQGCMIDXEL-DMTLFAOVSA-N -1 0 335.812 3.747 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)OCC/C=C/c1ccc(Br)cc1 ZINC000827342098 978955852 /nfs/dbraw/zinc/95/58/52/978955852.db2.gz RKSNNHZARDWWKR-FWEMWIAWSA-N -1 0 341.201 3.506 20 0 EHADRM CN(CC1(c2ccccc2)CC1)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000828236618 978977219 /nfs/dbraw/zinc/97/72/19/978977219.db2.gz QGIGKZHRNGRVRP-UHFFFAOYSA-N -1 0 343.810 3.842 20 0 EHADRM CCCC[C@@H](Cc1ccccn1)OC(=O)c1ccc(C(=O)[O-])s1 ZINC000829284367 978996768 /nfs/dbraw/zinc/99/67/68/978996768.db2.gz BIUUZYMNMITWIJ-ZDUSSCGKSA-N -1 0 333.409 3.800 20 0 EHADRM CSCc1cc(C(=O)Oc2ccc(CC(=O)[O-])cc2)ccc1F ZINC000832767002 979048730 /nfs/dbraw/zinc/04/87/30/979048730.db2.gz YUUYFTRLTQQPGB-UHFFFAOYSA-N -1 0 334.368 3.535 20 0 EHADRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)C=C1CCCC1 ZINC000832847923 979049767 /nfs/dbraw/zinc/04/97/67/979049767.db2.gz DFKBYDXKURJVDE-UHFFFAOYSA-N -1 0 338.201 3.895 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2ccc(Cl)c3ncccc23)CC1 ZINC001595019959 979097339 /nfs/dbraw/zinc/09/73/39/979097339.db2.gz YXDXUZLZEJZLJX-UHFFFAOYSA-N -1 0 346.814 3.605 20 0 EHADRM CC[C@@H](C)n1nc(C(=O)Nc2ccc(C)c(C)c2C(=O)[O-])cc1C ZINC001595022301 979103395 /nfs/dbraw/zinc/10/33/95/979103395.db2.gz KBCHDUNDPPVDMJ-LLVKDONJSA-N -1 0 329.400 3.730 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1)c1ccc(F)cc1 ZINC001592682735 979107096 /nfs/dbraw/zinc/10/70/96/979107096.db2.gz RJAKWCMATOEZIZ-STQMWFEESA-N -1 0 344.386 3.939 20 0 EHADRM CC[C@H](CC(C)C)C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC001595035203 979182195 /nfs/dbraw/zinc/18/21/95/979182195.db2.gz AFEKCQHMRHEKKB-CQSZACIVSA-N -1 0 341.398 3.840 20 0 EHADRM CC[C@@H](CC(=O)Nc1cc(C(=O)[O-])cnc1Cl)c1ccccc1 ZINC001595036572 979196795 /nfs/dbraw/zinc/19/67/95/979196795.db2.gz FYDIOZJXISQZOV-NSHDSACASA-N -1 0 332.787 3.956 20 0 EHADRM CC[C@H](CC(F)(F)F)C(=O)N[C@@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC001595038262 979207665 /nfs/dbraw/zinc/20/76/65/979207665.db2.gz FNVUQQXKMJKFET-BMIGLBTASA-N -1 0 349.324 3.610 20 0 EHADRM C[C@H](Oc1ccc(C(=O)NCCCCC(=O)[O-])cc1)c1ccccc1 ZINC000836717744 979248990 /nfs/dbraw/zinc/24/89/90/979248990.db2.gz FAFAEFCSKVCQOY-HNNXBMFYSA-N -1 0 341.407 3.811 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)/C=C/Sc1cc(F)ccc1F ZINC001595049466 979273026 /nfs/dbraw/zinc/27/30/26/979273026.db2.gz KZKGZAAAKOVCAS-BQYQJAHWSA-N -1 0 343.395 3.720 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)CCOc1cc(C)cc(C)c1C ZINC001595049469 979273053 /nfs/dbraw/zinc/27/30/53/979273053.db2.gz LBYLCIGMAWXUPY-UHFFFAOYSA-N -1 0 335.444 3.530 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N3CCC[C@@](C)(C(=O)[O-])C3)[nH]c2c1 ZINC000840944922 979285507 /nfs/dbraw/zinc/28/55/07/979285507.db2.gz LZZGVZQFZUQFTR-LJQANCHMSA-N -1 0 328.412 3.618 20 0 EHADRM CCC(CC)(CC)C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC001595057826 979303702 /nfs/dbraw/zinc/30/37/02/979303702.db2.gz MJPOJKYRCWGIFX-NSHDSACASA-N -1 0 325.380 3.833 20 0 EHADRM CCC(CC)(CNC(=O)N1CC2(CCCC2)[C@H]1c1ccco1)C(=O)[O-] ZINC001595068738 979334586 /nfs/dbraw/zinc/33/45/86/979334586.db2.gz RKEBUCXEMKNCFP-OAHLLOKOSA-N -1 0 348.443 3.797 20 0 EHADRM Cc1ccccc1CNc1ccccc1NC(=O)CCCC(=O)[O-] ZINC000843330597 979339728 /nfs/dbraw/zinc/33/97/28/979339728.db2.gz PDCKFQVAQBISTN-UHFFFAOYSA-N -1 0 326.396 3.801 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc(Cl)cc2ccc(C)nc21 ZINC000844157077 979345620 /nfs/dbraw/zinc/34/56/20/979345620.db2.gz VVQZARARISJMHR-QGZVFWFLSA-N -1 0 334.803 3.570 20 0 EHADRM CCC(CC)(CNC(=O)c1ccc(-c2ccncc2)c(F)c1)C(=O)[O-] ZINC001595075227 979348681 /nfs/dbraw/zinc/34/86/81/979348681.db2.gz UZWFFQDHUFYUOS-UHFFFAOYSA-N -1 0 344.386 3.509 20 0 EHADRM CCC(CC)(CNC(=O)CCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000844246910 979391421 /nfs/dbraw/zinc/39/14/21/979391421.db2.gz ZUKBGQDJWUQRNR-UHFFFAOYSA-N -1 0 325.836 3.769 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)/C=C\C2CCCC2)cc1 ZINC000846116359 979405994 /nfs/dbraw/zinc/40/59/94/979405994.db2.gz GIBUTBKSUOAEBE-BCTQVIJGSA-N -1 0 333.453 3.787 20 0 EHADRM C[C@@H](NC(=O)/C=C\C1CCCCCC1)c1ccc(OCC(=O)[O-])cc1 ZINC000846120191 979408069 /nfs/dbraw/zinc/40/80/69/979408069.db2.gz MMXDTFGAWOHWSD-JEMSNHSXSA-N -1 0 345.439 3.854 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1sccc1-c1ccc(F)cc1)CC1CC1 ZINC000846125898 979409847 /nfs/dbraw/zinc/40/98/47/979409847.db2.gz BPXSKRJJUNYIMJ-CYBMUJFWSA-N -1 0 347.411 3.785 20 0 EHADRM Cc1noc(C)c1CN(C)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000846240143 979418311 /nfs/dbraw/zinc/41/83/11/979418311.db2.gz VHWGXPAFNKLOSH-CQSZACIVSA-N -1 0 343.210 3.856 20 0 EHADRM CCC(CC)[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC001595105142 979419768 /nfs/dbraw/zinc/41/97/68/979419768.db2.gz ASBGTEMRTNJURU-CYBMUJFWSA-N -1 0 343.427 3.890 20 0 EHADRM CCC(CC)N(CC(C)C)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595114397 979463933 /nfs/dbraw/zinc/46/39/33/979463933.db2.gz JKZXXYULUXHNIH-NSHDSACASA-N -1 0 341.477 3.759 20 0 EHADRM CO[C@H](C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)C1CCCCC1 ZINC000851593083 979502801 /nfs/dbraw/zinc/50/28/01/979502801.db2.gz LMHUALXMGYSUKS-AWEZNQCLSA-N -1 0 325.792 3.572 20 0 EHADRM CC(C)[C@H](c1ccccc1)N(C)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851594174 979505287 /nfs/dbraw/zinc/50/52/87/979505287.db2.gz GXKHDDFMKYOFCM-SIKDUDHDSA-N -1 0 327.380 3.847 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)o1 ZINC000851596488 979511342 /nfs/dbraw/zinc/51/13/42/979511342.db2.gz SGTBRSUVECMIMR-CKDFRHGISA-N -1 0 343.354 3.788 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1cccc(SC(F)(F)F)c1 ZINC000851597792 979514874 /nfs/dbraw/zinc/51/48/74/979514874.db2.gz ZYTIFUUSYKLHSF-UHFFFAOYSA-N -1 0 335.347 3.624 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC001595126116 979515345 /nfs/dbraw/zinc/51/53/45/979515345.db2.gz QRINXLQRJYKGBZ-YOEHRIQHSA-N -1 0 335.419 3.983 20 0 EHADRM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851601297 979520636 /nfs/dbraw/zinc/52/06/36/979520636.db2.gz KJWWBSKUVQAPKX-YVYNJLHUSA-N -1 0 343.354 3.570 20 0 EHADRM C[C@H](CSCc1ccccc1)C(=O)Oc1cccc(C(=O)[O-])c1 ZINC001592825957 979547819 /nfs/dbraw/zinc/54/78/19/979547819.db2.gz QLXDFYCGTHQXLM-CYBMUJFWSA-N -1 0 330.405 3.860 20 0 EHADRM C[C@H](CSc1ccc(F)cc1)C(=O)N[C@H](CC(=O)[O-])C(C)(C)C ZINC001592830537 979556603 /nfs/dbraw/zinc/55/66/03/979556603.db2.gz YYROESMXXMCMQI-BXUZGUMPSA-N -1 0 341.448 3.560 20 0 EHADRM C[C@H](CSc1nnc(-c2ccccc2)cc1C(F)(F)F)C(=O)[O-] ZINC001592832010 979562227 /nfs/dbraw/zinc/56/22/27/979562227.db2.gz LDCQXBVJWHNESO-SECBINFHSA-N -1 0 342.342 3.975 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001592838608 979590267 /nfs/dbraw/zinc/59/02/67/979590267.db2.gz GAIVDQRQSGSURT-ZJNQMXKESA-N -1 0 347.798 3.734 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1Cl)Nc1cnc(C(=O)[O-])cn1 ZINC001592840346 979605230 /nfs/dbraw/zinc/60/52/30/979605230.db2.gz YAPTZPILJCKWGA-QMMMGPOBSA-N -1 0 326.183 3.525 20 0 EHADRM O=C([O-])c1ccc(NC(=O)/C=C/C2CCCC2)c(OC(F)F)c1 ZINC000856941864 979612911 /nfs/dbraw/zinc/61/29/11/979612911.db2.gz UKGCADADKXQMBX-VMPITWQZSA-N -1 0 325.311 3.671 20 0 EHADRM CC[C@H](CNC(=O)Nc1cc(C(=O)[O-])sc1C)CC(F)(F)F ZINC001595153325 979651899 /nfs/dbraw/zinc/65/18/99/979651899.db2.gz VPWTVLWUKCHINA-QMMMGPOBSA-N -1 0 338.351 3.855 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001592854685 979655430 /nfs/dbraw/zinc/65/54/30/979655430.db2.gz VKMIEUKSNKLHEZ-VIFPVBQESA-N -1 0 337.297 3.619 20 0 EHADRM Cc1cc(NC(=O)c2ccc(C(=O)[O-])s2)ccc1N1CCCC1 ZINC000862353670 979657386 /nfs/dbraw/zinc/65/73/86/979657386.db2.gz WIDCONOFUOTXTJ-UHFFFAOYSA-N -1 0 330.409 3.607 20 0 EHADRM CC[C@](CNC(=O)c1c(F)cccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001595159800 979678167 /nfs/dbraw/zinc/67/81/67/979678167.db2.gz MLROWNIJXAYLFD-GOSISDBHSA-N -1 0 349.789 3.642 20 0 EHADRM CC(C)[C@H]1CCCN(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)C1 ZINC001592859898 979685562 /nfs/dbraw/zinc/68/55/62/979685562.db2.gz AFBQCEYXXYRRJC-HOCLYGCPSA-N -1 0 332.444 3.850 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N(C)Cc2ccsc2)cc1)C(=O)[O-] ZINC001592860658 979692021 /nfs/dbraw/zinc/69/20/21/979692021.db2.gz KVKUVHKXYYYWCG-GFCCVEGCSA-N -1 0 332.425 3.675 20 0 EHADRM Cc1nc2c(s1)[C@H](N(C)C(=O)c1ccc(C)c(C(=O)[O-])c1)CCC2 ZINC000864110798 979701511 /nfs/dbraw/zinc/70/15/11/979701511.db2.gz YPKWCSIDNVXSJA-OAHLLOKOSA-N -1 0 344.436 3.608 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)Cc1csc2sc(C)cc12 ZINC000864124232 979723477 /nfs/dbraw/zinc/72/34/77/979723477.db2.gz LBTFDGSKHZLEGD-SECBINFHSA-N -1 0 325.455 3.525 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)/C=C/c1csc(C(F)(F)F)c1 ZINC000864126011 979725835 /nfs/dbraw/zinc/72/58/35/979725835.db2.gz CRZHRIYVHFOHKV-AATRIKPKSA-N -1 0 349.374 3.930 20 0 EHADRM C[C@H](Cc1ccccc1F)NC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC001592896603 979797039 /nfs/dbraw/zinc/79/70/39/979797039.db2.gz QENRKSPITFNKBE-OLZOCXBDSA-N -1 0 344.386 3.767 20 0 EHADRM CC(C)[C@@H]1C[C@H](NC(=O)c2ccc(/C=C/C(=O)[O-])o2)c2ccccc21 ZINC000864173355 979806752 /nfs/dbraw/zinc/80/67/52/979806752.db2.gz MXBQGTJZLJVOIG-LHWQUMODSA-N -1 0 339.391 3.992 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)NCC1CCC2(CC2)CC1)C(=O)[O-] ZINC000864190903 979844017 /nfs/dbraw/zinc/84/40/17/979844017.db2.gz QVFOFGSKFCIHBK-CYBMUJFWSA-N -1 0 347.480 3.952 20 0 EHADRM O=C([O-])c1coc(CNC(=O)C2(c3ccc(F)cc3)CCCCC2)c1 ZINC000864193880 979852870 /nfs/dbraw/zinc/85/28/70/979852870.db2.gz WSHFPLMABVPSAY-UHFFFAOYSA-N -1 0 345.370 3.635 20 0 EHADRM CCC[C@@H](C(=O)NCc1cc(C(=O)[O-])co1)c1cccc(Cl)c1 ZINC000864194681 979853897 /nfs/dbraw/zinc/85/38/97/979853897.db2.gz JZROROGNNAVVKF-OAHLLOKOSA-N -1 0 335.787 3.831 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000864227067 979914943 /nfs/dbraw/zinc/91/49/43/979914943.db2.gz USPCHNSZRMKZAQ-BPLDGKMQSA-N -1 0 341.432 3.765 20 0 EHADRM Cc1cc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cc(C)c1F ZINC000864227436 979915668 /nfs/dbraw/zinc/91/56/68/979915668.db2.gz ZCLLVAIHGCSMND-AWEZNQCLSA-N -1 0 327.355 3.661 20 0 EHADRM CCc1ccc(F)cc1C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000864229004 979922502 /nfs/dbraw/zinc/92/25/02/979922502.db2.gz UOQNZCUKBVIRHI-ZDUSSCGKSA-N -1 0 327.355 3.607 20 0 EHADRM CC[C@@H](CSc1ccccc1)NC(=O)c1ccsc1CC(=O)[O-] ZINC001595203877 979969212 /nfs/dbraw/zinc/96/92/12/979969212.db2.gz VGAKSFSNSNYCGM-LBPRGKRZSA-N -1 0 349.477 3.676 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001595205168 979979483 /nfs/dbraw/zinc/97/94/83/979979483.db2.gz RJOHBSJBKZGIPQ-QZTJIDSGSA-N -1 0 344.455 3.521 20 0 EHADRM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)Nc1cccc(C(=O)[O-])n1 ZINC001595205642 979980980 /nfs/dbraw/zinc/98/09/80/979980980.db2.gz XAGGWPOVTCISES-ZDUSSCGKSA-N -1 0 347.802 3.576 20 0 EHADRM CC(F)(F)CC(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001592935516 979997944 /nfs/dbraw/zinc/99/79/44/979997944.db2.gz JMYJJSCLMNBACS-UHFFFAOYSA-N -1 0 336.294 3.556 20 0 EHADRM CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001595212819 980002600 /nfs/dbraw/zinc/00/26/00/980002600.db2.gz JHGVIHUERRPCOW-OAHLLOKOSA-N -1 0 326.396 3.836 20 0 EHADRM CC[C@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC001595213161 980005378 /nfs/dbraw/zinc/00/53/78/980005378.db2.gz NRFRUGVYOVPIBI-CYBMUJFWSA-N -1 0 332.425 3.931 20 0 EHADRM CC(F)(F)c1c(F)cccc1NC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC001592943400 980014030 /nfs/dbraw/zinc/01/40/30/980014030.db2.gz JGOQZJNHQVIBJZ-UHFFFAOYSA-N -1 0 341.329 3.911 20 0 EHADRM CC(F)(F)c1c(F)cccc1NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001592943668 980015410 /nfs/dbraw/zinc/01/54/10/980015410.db2.gz MJZRZDMEUGNFAV-VURMDHGXSA-N -1 0 339.269 3.881 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001595219784 980042256 /nfs/dbraw/zinc/04/22/56/980042256.db2.gz RKGHYAGIBUBTSB-MJGOQNOKSA-N -1 0 345.483 3.961 20 0 EHADRM COc1ccc2c(c1)CC[C@@H]2C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000872731255 980123196 /nfs/dbraw/zinc/12/31/96/980123196.db2.gz ZMBLWOMRLATMFZ-SGTLLEGYSA-N -1 0 339.391 3.552 20 0 EHADRM CC[C@](NC(=O)[C@@H](C)c1ccc(F)cc1F)(C(=O)[O-])c1ccccc1 ZINC001595232861 980127835 /nfs/dbraw/zinc/12/78/35/980127835.db2.gz KNUSYTRLWAXNNH-HXPMCKFVSA-N -1 0 347.361 3.575 20 0 EHADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)c1ccc(-c3cccc(F)c3)s1)C2 ZINC000872743084 980137151 /nfs/dbraw/zinc/13/71/51/980137151.db2.gz YPAQTUDMOOWEHL-YNKQFZHNSA-N -1 0 345.395 3.537 20 0 EHADRM CC[C@H](NC(=O)N1CCC[C@@](C)(C(=O)[O-])C1)c1ccc(Cl)s1 ZINC001595247224 980189172 /nfs/dbraw/zinc/18/91/72/980189172.db2.gz JYVUYKHXTSWPJY-ZUZCIYMTSA-N -1 0 344.864 3.749 20 0 EHADRM CC[C@@H](NC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)c1cc(C)ccc1C ZINC001595247919 980195995 /nfs/dbraw/zinc/19/59/95/980195995.db2.gz VILPRYUGMBQTKS-HLIPFELVSA-N -1 0 344.455 3.793 20 0 EHADRM C[C@](NC(=O)[C@@H]1CC12CCC2)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593003041 980218047 /nfs/dbraw/zinc/21/80/47/980218047.db2.gz OPPBRHKXLIUDNA-ZUZCIYMTSA-N -1 0 342.222 3.600 20 0 EHADRM CC[C@@H](NC(=O)NCCCCC(=O)[O-])c1cccc2ccccc21 ZINC000898836743 980224075 /nfs/dbraw/zinc/22/40/75/980224075.db2.gz ZQILHUCVWJLFNT-QGZVFWFLSA-N -1 0 328.412 3.845 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1OC)c1ccc(C)cc1 ZINC001595257934 980249931 /nfs/dbraw/zinc/24/99/31/980249931.db2.gz VIQNRJCNQBCRAK-OAHLLOKOSA-N -1 0 342.395 3.975 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)[C@@H]1CCCO1 ZINC001595258783 980258390 /nfs/dbraw/zinc/25/83/90/980258390.db2.gz ZYEMOVVZUREVNK-STQMWFEESA-N -1 0 348.424 3.679 20 0 EHADRM C[C@@H](NC(=O)CC/C=C/c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001593015575 980262786 /nfs/dbraw/zinc/26/27/86/980262786.db2.gz OKCACQYPGFRDQR-BIPYJSMBSA-N -1 0 330.409 3.512 20 0 EHADRM CC[C@H](NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)c1cc(C)ccc1C ZINC001595259413 980264739 /nfs/dbraw/zinc/26/47/39/980264739.db2.gz ZVNQXGLDQFAKDH-HNNXBMFYSA-N -1 0 328.412 3.828 20 0 EHADRM CC(C)[C@H]1CN(Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CCO1 ZINC000901438787 980287614 /nfs/dbraw/zinc/28/76/14/980287614.db2.gz PHAKKGVPLJFTMP-GOSISDBHSA-N -1 0 329.396 3.502 20 0 EHADRM CCc1oc(CN2CCC[C@H]2c2ccc(COC)o2)cc1C(=O)[O-] ZINC000901449030 980292862 /nfs/dbraw/zinc/29/28/62/980292862.db2.gz LPUSJXUVCNQSMX-HNNXBMFYSA-N -1 0 333.384 3.617 20 0 EHADRM CC[C@H](N[C@H](C)c1cc(C(=O)[O-])cs1)c1nnc2n1CCCCC2 ZINC001595278404 980310610 /nfs/dbraw/zinc/31/06/10/980310610.db2.gz DEVGOGVJOSCJIA-YPMHNXCESA-N -1 0 348.472 3.566 20 0 EHADRM Cc1nn2c(nc(C(C)C)c2CNc2ccc(C)c(C(=O)[O-])c2)s1 ZINC000901718507 980463383 /nfs/dbraw/zinc/46/33/83/980463383.db2.gz TXSPHSZNOUDPRQ-UHFFFAOYSA-N -1 0 344.440 3.841 20 0 EHADRM CSCc1cnc(CN[C@H](CC2CCCCC2)C(=O)[O-])s1 ZINC000901769516 980500434 /nfs/dbraw/zinc/50/04/34/980500434.db2.gz LPVKJLQLSFISDH-CYBMUJFWSA-N -1 0 328.503 3.519 20 0 EHADRM CC[C@@H](Nc1ccc2c(c1)N(C)CCO2)c1ccc(C(=O)[O-])cc1 ZINC001595318687 980502490 /nfs/dbraw/zinc/50/24/90/980502490.db2.gz PIDKXJCWKJLVPY-MRXNPFEDSA-N -1 0 326.396 3.777 20 0 EHADRM CC[C@H]1C[C@@H](Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)CCO1 ZINC000901773020 980502922 /nfs/dbraw/zinc/50/29/22/980502922.db2.gz BAHKZSDDQFXRMW-HOTGVXAUSA-N -1 0 332.444 3.745 20 0 EHADRM CC[C@H](Nc1cccc([C@@H]2CCC(=O)N2)c1)c1ccc(C(=O)[O-])cc1 ZINC001595318901 980503293 /nfs/dbraw/zinc/50/32/93/980503293.db2.gz SRMDARVAXSDEJT-ROUUACIJSA-N -1 0 338.407 3.899 20 0 EHADRM CC[C@H](Nc1ncc(C(=O)[O-])cc1Cl)c1nc2ccccc2[nH]1 ZINC001595322822 980516623 /nfs/dbraw/zinc/51/66/23/980516623.db2.gz LJANFEVDYDJBMY-NSHDSACASA-N -1 0 330.775 3.873 20 0 EHADRM COC[C@H](C)Oc1ccc(CNc2cccc([C@@H](C)C(=O)[O-])c2)cc1 ZINC000901817139 980537334 /nfs/dbraw/zinc/53/73/34/980537334.db2.gz YKDIHFQSLFYBDG-LSDHHAIUSA-N -1 0 343.423 3.901 20 0 EHADRM CC[C@@H](OC(=O)c1cc(C(=O)[O-])ccn1)C(C)(C)c1ccccc1 ZINC001595344734 980628302 /nfs/dbraw/zinc/62/83/02/980628302.db2.gz NKMXXNULNLAOTQ-MRXNPFEDSA-N -1 0 327.380 3.693 20 0 EHADRM CC[C@@H](OC(=O)Cc1ccc(C(=O)[O-])cc1)c1ccnc(Cl)c1 ZINC001595345980 980633812 /nfs/dbraw/zinc/63/38/12/980633812.db2.gz DTEKHFUAAPDZKK-CQSZACIVSA-N -1 0 333.771 3.670 20 0 EHADRM CC[C@H](OC(=O)c1oc(C(=O)[O-])cc1C)c1cc(C)ccc1OC ZINC001595353361 980680853 /nfs/dbraw/zinc/68/08/53/980680853.db2.gz BPMAMXRJLHKRHN-ZDUSSCGKSA-N -1 0 332.352 3.911 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)N1CCCc2ccc(C)c(C(=O)[O-])c21 ZINC001595354668 980694841 /nfs/dbraw/zinc/69/48/41/980694841.db2.gz BIXMSEWBEIMFRJ-INIZCTEOSA-N -1 0 345.439 3.710 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC001595354860 980696128 /nfs/dbraw/zinc/69/61/28/980696128.db2.gz GZNJODJABFADLK-MXASKKJJSA-N -1 0 339.476 3.510 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)Oc1cc(C(=O)[O-])cc(F)c1C ZINC001595356938 980717601 /nfs/dbraw/zinc/71/76/01/980717601.db2.gz OLXDHRJABKDGFJ-OAHLLOKOSA-N -1 0 346.354 3.904 20 0 EHADRM Cc1cc(CNc2ccc(NC(=O)CC(C)C)cc2)oc1C(=O)[O-] ZINC000902098463 980733042 /nfs/dbraw/zinc/73/30/42/980733042.db2.gz LGBXXXBYSJDDTJ-UHFFFAOYSA-N -1 0 330.384 3.883 20 0 EHADRM C[C@H]1[C@H](Nc2cccc(OC[C@H]3CCCO3)c2)CC[C@H]1CC(=O)[O-] ZINC000902105153 980736513 /nfs/dbraw/zinc/73/65/13/980736513.db2.gz GZBDGQDYAHYWFE-LTCOOKNTSA-N -1 0 333.428 3.546 20 0 EHADRM CC[C@@H](SC)C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001595358939 980736895 /nfs/dbraw/zinc/73/68/95/980736895.db2.gz VLMIZQWRPHOLPC-GHMZBOCLSA-N -1 0 337.224 3.804 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])CC(=O)c1ccccc1F ZINC001595360259 980749943 /nfs/dbraw/zinc/74/99/43/980749943.db2.gz FHAAHRXRTFAAAJ-KRWDZBQOSA-N -1 0 329.371 3.546 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])CC(=O)c1ccccc1F ZINC001595360260 980750051 /nfs/dbraw/zinc/75/00/51/980750051.db2.gz FHAAHRXRTFAAAJ-QGZVFWFLSA-N -1 0 329.371 3.546 20 0 EHADRM CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001595360544 980752392 /nfs/dbraw/zinc/75/23/92/980752392.db2.gz YPDOLTDINXCLIV-QGZVFWFLSA-N -1 0 345.370 3.756 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccc(C(F)F)nc1 ZINC001595360494 980752521 /nfs/dbraw/zinc/75/25/21/980752521.db2.gz IHLWXDNCSCFHME-OAHLLOKOSA-N -1 0 348.349 3.697 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1coc(C(C)(C)C)n1 ZINC001595360658 980753580 /nfs/dbraw/zinc/75/35/80/980753580.db2.gz LFGZPNXDRIVJFU-OAHLLOKOSA-N -1 0 344.411 3.650 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1csc(C2CC2)n1 ZINC001595360776 980755481 /nfs/dbraw/zinc/75/54/81/980755481.db2.gz OZLUPDZYBWBFGX-OAHLLOKOSA-N -1 0 344.436 3.699 20 0 EHADRM COCCOc1ccc(NCc2cc(C(=O)[O-])oc2C)cc1Cl ZINC000902152927 980760300 /nfs/dbraw/zinc/76/03/00/980760300.db2.gz XQWGYYPJTCTIKZ-UHFFFAOYSA-N -1 0 339.775 3.577 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CNCc1ccccc1OCC(F)(F)F ZINC000902163712 980763408 /nfs/dbraw/zinc/76/34/08/980763408.db2.gz YMSMKYGFVDFXQG-UHFFFAOYSA-N -1 0 343.301 3.517 20 0 EHADRM Cc1ccc(NCc2cccc(C(=O)[O-])n2)c(OCC(F)(F)F)c1 ZINC000902167359 980764891 /nfs/dbraw/zinc/76/48/91/980764891.db2.gz JQEMYWCPWZXQMW-UHFFFAOYSA-N -1 0 340.301 3.641 20 0 EHADRM CC[C@@H](c1ccncc1)N(C)C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001595364231 980791769 /nfs/dbraw/zinc/79/17/69/980791769.db2.gz QJRNAPXGJAMPNG-INIZCTEOSA-N -1 0 347.459 3.599 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC)C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001595364447 980793760 /nfs/dbraw/zinc/79/37/60/980793760.db2.gz RYGNPNYYFJFGFX-DVQDXYAYSA-N -1 0 327.380 3.991 20 0 EHADRM Cc1ccc(N[C@H](C)CC(C)(C)CC(=O)[O-])cc1C(=O)NC(C)C ZINC000902237064 980795467 /nfs/dbraw/zinc/79/54/67/980795467.db2.gz AENHJZKWNOIILC-CQSZACIVSA-N -1 0 334.460 3.825 20 0 EHADRM CC[C@@H](c1nnc(NC(=O)C[C@@H](C)CC(=O)[O-])s1)c1ccccc1 ZINC001595364646 980795835 /nfs/dbraw/zinc/79/58/35/980795835.db2.gz UOPSDUVJMXQGHP-DGCLKSJQSA-N -1 0 347.440 3.519 20 0 EHADRM CCC1(C(=O)OCC(=O)c2c[nH]c3ccc(C(=O)[O-])cc23)CCCC1 ZINC001595368431 980827109 /nfs/dbraw/zinc/82/71/09/980827109.db2.gz IQJIYPLFVZUILB-UHFFFAOYSA-N -1 0 343.379 3.562 20 0 EHADRM CCC1(C(=O)O[C@H](C)c2nc(C(=O)[O-])co2)CCC(F)(F)CC1 ZINC001595368890 980832143 /nfs/dbraw/zinc/83/21/43/980832143.db2.gz PXJAZIFSZRCBPY-SECBINFHSA-N -1 0 331.315 3.583 20 0 EHADRM CCC1(CC)CCN(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)C1 ZINC001595375059 980891457 /nfs/dbraw/zinc/89/14/57/980891457.db2.gz OEIUCXBPVFBQJO-AWEZNQCLSA-N -1 0 332.444 3.994 20 0 EHADRM Cc1oc(CNc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)cc1C(=O)[O-] ZINC000902453938 980895048 /nfs/dbraw/zinc/89/50/48/980895048.db2.gz DERRRCWKUOAZFH-QZTJIDSGSA-N -1 0 345.395 3.581 20 0 EHADRM CCc1noc(C)c1CNCc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000902457456 980896531 /nfs/dbraw/zinc/89/65/31/980896531.db2.gz PBYRINJYUJSSDF-UHFFFAOYSA-N -1 0 340.379 3.793 20 0 EHADRM CCc1oc(CNc2cccc(N=S(C)(C)=O)c2)cc1C(=O)[O-] ZINC000902458602 980897647 /nfs/dbraw/zinc/89/76/47/980897647.db2.gz TVJMPWXKCSVNSK-UHFFFAOYSA-N -1 0 336.413 3.511 20 0 EHADRM CCC1(NC(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)CCC1 ZINC001595390863 980947532 /nfs/dbraw/zinc/94/75/32/980947532.db2.gz OHTOLKGHNSWKJK-UHFFFAOYSA-N -1 0 345.443 3.829 20 0 EHADRM CCC1CCC(NC(=O)[C@H](C)CCc2ccccc2F)(C(=O)[O-])CC1 ZINC001595420520 981036109 /nfs/dbraw/zinc/03/61/09/981036109.db2.gz QFNDCZNDPGHCQA-ZUIJCZDSSA-N -1 0 349.446 3.934 20 0 EHADRM CCC1CCC(NC(=O)c2ccc3cc(C)ccc3n2)(C(=O)[O-])CC1 ZINC001595424833 981043978 /nfs/dbraw/zinc/04/39/78/981043978.db2.gz RLOJYKBBOFLCSO-UHFFFAOYSA-N -1 0 340.423 3.697 20 0 EHADRM CC[C@H]1CCC[C@H](CNc2ccc(C(=O)NCCC(=O)[O-])cc2)C1 ZINC001595432071 981055988 /nfs/dbraw/zinc/05/59/88/981055988.db2.gz IKECSHDOWYSFJA-GJZGRUSLSA-N -1 0 332.444 3.519 20 0 EHADRM CC[C@H]1CCC[C@@]1(C)C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC001595436652 981070279 /nfs/dbraw/zinc/07/02/79/981070279.db2.gz SXAAHEAWALETJT-OXJNMPFZSA-N -1 0 347.455 3.763 20 0 EHADRM CC[C@H]1CCC[C@H]1C(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC001595436971 981073058 /nfs/dbraw/zinc/07/30/58/981073058.db2.gz ZCULUKRCNGIJMD-DZGCQCFKSA-N -1 0 341.411 3.644 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@H]2CCOC3(CCCC3)C2)cc1 ZINC000905005557 981085700 /nfs/dbraw/zinc/08/57/00/981085700.db2.gz DSEHMAMBPQACGC-ZFWWWQNUSA-N -1 0 331.412 3.553 20 0 EHADRM CC[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001595444538 981089099 /nfs/dbraw/zinc/08/90/99/981089099.db2.gz QTTDPVGYYSNVPV-BBRMVZONSA-N -1 0 347.459 3.883 20 0 EHADRM CC[C@@H]1CCC[C@H]1NC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001595456448 981125986 /nfs/dbraw/zinc/12/59/86/981125986.db2.gz QGXGTMQITJIQSB-TZMCWYRMSA-N -1 0 334.416 3.872 20 0 EHADRM Cc1cc([C@H](C)NC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c(C)s1 ZINC000907559704 981190110 /nfs/dbraw/zinc/19/01/10/981190110.db2.gz VVJPQWGXDFUIBT-JOKNJTHLSA-N -1 0 343.448 3.801 20 0 EHADRM CN(Cc1ccc(Cl)s1)C(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC000907563298 981191656 /nfs/dbraw/zinc/19/16/56/981191656.db2.gz DLUUDOMFYPNRRR-DYVFJYSZSA-N -1 0 349.839 3.618 20 0 EHADRM CSCc1cccc(NC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)c1 ZINC000907569295 981193660 /nfs/dbraw/zinc/19/36/60/981193660.db2.gz OTSFRUIUZLZAOK-LPHOPBHVSA-N -1 0 341.432 3.747 20 0 EHADRM CC(C)Cc1ncc(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)s1 ZINC000907680916 981207159 /nfs/dbraw/zinc/20/71/59/981207159.db2.gz CSJVVOHGEVJSNN-LLVKDONJSA-N -1 0 332.425 3.782 20 0 EHADRM CC1=C(C)C[C@](C)(C(=O)N2CCc3c(cccc3C(=O)[O-])C2)CC1 ZINC000907719588 981211048 /nfs/dbraw/zinc/21/10/48/981211048.db2.gz QOHZNLNRVUEXOA-HXUWFJFHSA-N -1 0 327.424 3.796 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)c2ccccc2CCC(=O)[O-])cc1C ZINC000907865663 981235112 /nfs/dbraw/zinc/23/51/12/981235112.db2.gz ZNPWVXGLQVRMIM-CQSZACIVSA-N -1 0 341.407 3.512 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N[C@@H]1CCC[C@H](c2ccccc2)CC1 ZINC000907991984 981251941 /nfs/dbraw/zinc/25/19/41/981251941.db2.gz VRJWUQKYXTVEFS-JKSUJKDBSA-N -1 0 341.407 3.753 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)C[C@]12CCCC[C@H]1C2(F)F)CC1CCCC1 ZINC000908293822 981298361 /nfs/dbraw/zinc/29/83/61/981298361.db2.gz VRBLAUMLBLIREE-CKEIUWERSA-N -1 0 343.414 3.599 20 0 EHADRM Cc1occc1C(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000908408620 981313216 /nfs/dbraw/zinc/31/32/16/981313216.db2.gz PSJBZMUCRBLTNU-CYBMUJFWSA-N -1 0 341.285 3.553 20 0 EHADRM COc1c(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cccc1C(=O)[O-] ZINC000908506173 981319156 /nfs/dbraw/zinc/31/91/56/981319156.db2.gz ADAVIXFBBNFSAA-NXEZZACHSA-N -1 0 345.317 3.701 20 0 EHADRM CCCC(=O)Nc1cccc(CNc2ncc(C(=O)[O-])cc2Cl)c1 ZINC001595531172 981365810 /nfs/dbraw/zinc/36/58/10/981365810.db2.gz DRIPEBMQVUVROG-UHFFFAOYSA-N -1 0 347.802 3.784 20 0 EHADRM Cc1c(NC(=O)[C@H](C)[C@@H]2OCCc3sccc32)cccc1C(=O)[O-] ZINC000908845029 981376726 /nfs/dbraw/zinc/37/67/26/981376726.db2.gz URZQVHXXYWRJHR-BZNIZROVSA-N -1 0 345.420 3.643 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)[C@@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000908855121 981377895 /nfs/dbraw/zinc/37/78/95/981377895.db2.gz MSTVFWXXTKCRHU-HNNXBMFYSA-N -1 0 347.455 3.588 20 0 EHADRM CCC[C@H](C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC001595536367 981382411 /nfs/dbraw/zinc/38/24/11/981382411.db2.gz XQXXKLOLXCHCHP-OALUTQOASA-N -1 0 339.435 3.773 20 0 EHADRM CCC[C@H](C(=O)Nc1cc(C(F)(F)F)cnc1C(=O)[O-])C(C)C ZINC001595537791 981388455 /nfs/dbraw/zinc/38/84/55/981388455.db2.gz NLXMSVAEHLZQRR-JTQLQIEISA-N -1 0 332.322 3.809 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)CCc1ccc(F)cc1F)c1ccccc1 ZINC000908941973 981390294 /nfs/dbraw/zinc/39/02/94/981390294.db2.gz CXIZRNSZRYBECY-KRWDZBQOSA-N -1 0 347.361 3.620 20 0 EHADRM CCC[C@@](C)(NC(=O)c1cn(CC(C)C)c2ccccc12)C(=O)[O-] ZINC001595553574 981430350 /nfs/dbraw/zinc/43/03/50/981430350.db2.gz JSPSSWDBOCACSO-LJQANCHMSA-N -1 0 330.428 3.671 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C[C@@H]2CCC3(CCC3)CO2)cc1 ZINC000909289365 981461004 /nfs/dbraw/zinc/46/10/04/981461004.db2.gz PZUJOPYSOUGQAP-INIZCTEOSA-N -1 0 345.439 3.727 20 0 EHADRM CCCN(C(=O)c1cc(C(=O)[O-])on1)[C@H](C)c1cc2ccccc2o1 ZINC000909400375 981483948 /nfs/dbraw/zinc/48/39/48/981483948.db2.gz BRBAIHOVQKDONG-LLVKDONJSA-N -1 0 342.351 3.732 20 0 EHADRM CC(C)c1ccc(CCNC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1 ZINC000909398990 981484078 /nfs/dbraw/zinc/48/40/78/981484078.db2.gz OZIQGEKSULUCBF-UHFFFAOYSA-N -1 0 329.440 3.504 20 0 EHADRM CCC[C@@H](C)CCNC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001595575333 981495893 /nfs/dbraw/zinc/49/58/93/981495893.db2.gz ZGJZIIAQTYZEKO-CYBMUJFWSA-N -1 0 338.473 3.952 20 0 EHADRM CCC[C@H](C)CCNC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001595575334 981495913 /nfs/dbraw/zinc/49/59/13/981495913.db2.gz ZGJZIIAQTYZEKO-ZDUSSCGKSA-N -1 0 338.473 3.952 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1cscc1C(F)F)CC2 ZINC000909454185 981496809 /nfs/dbraw/zinc/49/68/09/981496809.db2.gz MWPBEIBWDBHHQO-UHFFFAOYSA-N -1 0 337.347 3.582 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c(C(F)(F)F)o1 ZINC000909492004 981509638 /nfs/dbraw/zinc/50/96/38/981509638.db2.gz KQJYDXIBJBUKGX-SNVBAGLBSA-N -1 0 347.333 3.570 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)C2(C(F)(F)F)CCC2)cc1)C(=O)[O-] ZINC000909520082 981525926 /nfs/dbraw/zinc/52/59/26/981525926.db2.gz MTPGGZCUPWBWBF-SNVBAGLBSA-N -1 0 329.318 3.621 20 0 EHADRM CCC[C@H](CCc1ccccc1)NC(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001595591891 981548941 /nfs/dbraw/zinc/54/89/41/981548941.db2.gz OZGKMDNLXGKFGV-VPWXQRGCSA-N -1 0 346.471 3.540 20 0 EHADRM CCC[C@H](CCc1ccccc1)NC(=O)c1ccsc1C(=O)[O-] ZINC001595591940 981548977 /nfs/dbraw/zinc/54/89/77/981548977.db2.gz QIDMZOPPIVMROM-CQSZACIVSA-N -1 0 331.437 3.978 20 0 EHADRM C[C@@]1(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)CC=CCC1 ZINC000909629122 981556981 /nfs/dbraw/zinc/55/69/81/981556981.db2.gz RLQWQJVMBZETHN-FRQCXROJSA-N -1 0 347.842 3.713 20 0 EHADRM CC(C)[C@@H](NC(=O)[C@@H](C)CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000909728553 981582152 /nfs/dbraw/zinc/58/21/52/981582152.db2.gz AJQSMZOGSMDCHF-IINYFYTJSA-N -1 0 331.334 3.630 20 0 EHADRM CC(C)Oc1ccc(N(C)C(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1 ZINC000909730869 981583866 /nfs/dbraw/zinc/58/38/66/981583866.db2.gz KHFWUWFTQGVVMU-UHFFFAOYSA-N -1 0 345.439 3.862 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(OC)c2)cc1C1CC1 ZINC000909731434 981584843 /nfs/dbraw/zinc/58/48/43/981584843.db2.gz WWBBVJLMNHHHJS-UHFFFAOYSA-N -1 0 341.363 3.532 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(F)cc(F)c2CO)cc1C(F)(F)F ZINC001211492525 1014749823 /nfs/dbraw/zinc/74/98/23/1014749823.db2.gz YKRMRTHDULQLKV-UHFFFAOYSA-N -1 0 347.239 3.918 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(F)F)cc1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000909817515 981639004 /nfs/dbraw/zinc/63/90/04/981639004.db2.gz CELGGLONUAFDSU-WBMJQRKESA-N -1 0 347.361 3.686 20 0 EHADRM CCC[C@]1(COC)CCCN1C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC001595618189 981662463 /nfs/dbraw/zinc/66/24/63/981662463.db2.gz NYERLDXLIOQLRT-IFXJQAMLSA-N -1 0 348.443 3.688 20 0 EHADRM CCSCc1ccccc1C(=O)NCc1ccc(C(=O)[O-])s1 ZINC000909849103 981677032 /nfs/dbraw/zinc/67/70/32/981677032.db2.gz YXODESOHFOOHLX-UHFFFAOYSA-N -1 0 335.450 3.629 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N[C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC001594757719 981680622 /nfs/dbraw/zinc/68/06/22/981680622.db2.gz MNTOVHJPYBEVKC-KBXCAEBGSA-N -1 0 341.407 3.554 20 0 EHADRM CCCC1CCC(N(C)C(=O)NCc2cc(C(=O)[O-])c(C)n2C)CC1 ZINC001595620730 981692491 /nfs/dbraw/zinc/69/24/91/981692491.db2.gz RLYRLSWITVLPIK-UHFFFAOYSA-N -1 0 349.475 3.532 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)CC)CC2 ZINC001594762601 981699245 /nfs/dbraw/zinc/69/92/45/981699245.db2.gz WXDSOZBUALCCEG-QWRGUYRKSA-N -1 0 338.473 3.734 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)c2ccoc2CC(=O)[O-])cc1F ZINC000909919547 981701597 /nfs/dbraw/zinc/70/15/97/981701597.db2.gz IZKRQEXWABJCEI-UHFFFAOYSA-N -1 0 349.358 3.723 20 0 EHADRM CCC[C@@H]1CCCC[C@H]1CNC(=O)NCc1cc(C)c(C(=O)[O-])o1 ZINC001595621810 981703884 /nfs/dbraw/zinc/70/38/84/981703884.db2.gz PDIGAYFLAQNUSZ-KGLIPLIRSA-N -1 0 336.432 3.692 20 0 EHADRM Cc1cccc(C)c1[C@H]1CCCN1C(=O)c1ccoc1CC(=O)[O-] ZINC000909932889 981704723 /nfs/dbraw/zinc/70/47/23/981704723.db2.gz SIAFUOREBKGYQF-OAHLLOKOSA-N -1 0 327.380 3.501 20 0 EHADRM CCC[C@@H]1CCC[C@@H]1C(=O)Nc1cccnc1SCCC(=O)[O-] ZINC001595622652 981712905 /nfs/dbraw/zinc/71/29/05/981712905.db2.gz VCFJMRPKBHUUBP-OLZOCXBDSA-N -1 0 336.457 3.803 20 0 EHADRM CCC[C@H]1CCc2nc(NC(=O)CC(C)(C)CC(=O)[O-])sc2C1 ZINC001595623279 981719681 /nfs/dbraw/zinc/71/96/81/981719681.db2.gz IQEOVBKBUDUXHR-NSHDSACASA-N -1 0 338.473 3.878 20 0 EHADRM CCCC1CCN(C(=O)Nc2cc(COC)cc(C(=O)[O-])c2)CC1 ZINC001595623421 981721325 /nfs/dbraw/zinc/72/13/25/981721325.db2.gz NQZXSHUUGUJYHY-UHFFFAOYSA-N -1 0 334.416 3.575 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1cc(F)ccc1Cl)c1ccccc1 ZINC001594767937 981727117 /nfs/dbraw/zinc/72/71/17/981727117.db2.gz MSCOZCJNYRLQNS-OAHLLOKOSA-N -1 0 335.762 3.989 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1cnc2ccccc2c1)c1ccccc1 ZINC001594769798 981733229 /nfs/dbraw/zinc/73/32/29/981733229.db2.gz AWDWMRZVZXHHNP-SFHVURJKSA-N -1 0 334.375 3.745 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1CCC[C@H]3CCCC[C@H]31)C2 ZINC000910039993 981739903 /nfs/dbraw/zinc/73/99/03/981739903.db2.gz KPOQWCRIIFEKRM-FSPWUOQZSA-N -1 0 327.424 3.834 20 0 EHADRM CC[C@H](C(=O)OCc1ccc(F)cc1C(=O)[O-])c1ccc(OC)cc1 ZINC001594776404 981767778 /nfs/dbraw/zinc/76/77/78/981767778.db2.gz YPTBRDVMZFTVRO-INIZCTEOSA-N -1 0 346.354 3.770 20 0 EHADRM CCCC[C@@H](C(=O)NC[C@@](CC)(C(=O)[O-])c1ccccc1)C(C)C ZINC001595627500 981772799 /nfs/dbraw/zinc/77/27/99/981772799.db2.gz HXGSWGPPNLJXHI-YLJYHZDGSA-N -1 0 333.472 3.998 20 0 EHADRM CCCC[C@H](C(=O)N[C@H](C)[C@@H](Cc1ccccc1)C(=O)[O-])C(C)C ZINC001595627482 981773227 /nfs/dbraw/zinc/77/32/27/981773227.db2.gz HPCCJJQHFBFJEV-BPQIPLTHSA-N -1 0 333.472 3.897 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)CSc1cc(C)ccc1C ZINC001594783699 981795986 /nfs/dbraw/zinc/79/59/86/981795986.db2.gz ZKWFHFUEXQBVRD-LJQANCHMSA-N -1 0 349.496 3.887 20 0 EHADRM CC/C(C)=C/C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000910256150 981833016 /nfs/dbraw/zinc/83/30/16/981833016.db2.gz TXZPBIQVIXDHBE-VMPITWQZSA-N -1 0 326.190 3.751 20 0 EHADRM O=C([O-])C1CCN(c2ncnc3scc(-c4cccs4)c32)CC1 ZINC000910277272 981839629 /nfs/dbraw/zinc/83/96/29/981839629.db2.gz CQYBVRIFPNXAFT-UHFFFAOYSA-N -1 0 345.449 3.721 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC001594792051 981857571 /nfs/dbraw/zinc/85/75/71/981857571.db2.gz KJGRYUKCJWBHCV-INIZCTEOSA-N -1 0 343.345 3.811 20 0 EHADRM Cc1ccc(F)c(CC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c1 ZINC000910301458 981858279 /nfs/dbraw/zinc/85/82/79/981858279.db2.gz NJUUFRZRMSKHQV-JKSUJKDBSA-N -1 0 327.355 3.503 20 0 EHADRM CCCC[C@@H](CCC)CNC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595632647 981858746 /nfs/dbraw/zinc/85/87/46/981858746.db2.gz LWJZCAWFDSFDLW-NWDGAFQWSA-N -1 0 341.477 3.808 20 0 EHADRM CCCC[C@H](CCC)CNC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001595633025 981864243 /nfs/dbraw/zinc/86/42/43/981864243.db2.gz ZRQYIZFAGZIRHF-XAUMDUMWSA-N -1 0 331.456 3.968 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(OC2CCC2)cc1 ZINC001594794283 981869727 /nfs/dbraw/zinc/86/97/27/981869727.db2.gz ZDMJDPBXIODWKN-HXUWFJFHSA-N -1 0 345.439 3.723 20 0 EHADRM CCC(C)(C)[C@@H](C)NC(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC001594794401 981870934 /nfs/dbraw/zinc/87/09/34/981870934.db2.gz KUIXVDKMEGYNAC-WDEREUQCSA-N -1 0 340.395 3.624 20 0 EHADRM CCCC[C@H](NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1)C(=O)[O-] ZINC001595636567 981918735 /nfs/dbraw/zinc/91/87/35/981918735.db2.gz BVVJXKYBFAOCMO-NSHDSACASA-N -1 0 342.317 3.560 20 0 EHADRM CCCC[C@H](NC(=O)c1cccc(SC(F)(F)F)c1)C(=O)[O-] ZINC001595636948 981924609 /nfs/dbraw/zinc/92/46/09/981924609.db2.gz DTQNMIBZRPLBLA-NSHDSACASA-N -1 0 335.347 3.672 20 0 EHADRM CCC(C)(C)c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(O)cc2)cc1 ZINC001594814828 981940898 /nfs/dbraw/zinc/94/08/98/981940898.db2.gz YGZFZEBJMYJSKH-KRWDZBQOSA-N -1 0 341.407 3.636 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN(C(=O)[C@@H]1CCC[C@@H]1c1ccccc1)C2 ZINC000910501698 981966957 /nfs/dbraw/zinc/96/69/57/981966957.db2.gz BCJIKOYJDPRFMC-WOJBJXKFSA-N -1 0 349.430 3.853 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1ocnc1-c1ccccc1 ZINC000910506345 981972603 /nfs/dbraw/zinc/97/26/03/981972603.db2.gz HFHZEHGXXLMHOJ-UHFFFAOYSA-N -1 0 344.411 3.551 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(Oc2cccc(C)c2)cn1 ZINC001594822373 981974979 /nfs/dbraw/zinc/97/49/79/981974979.db2.gz VMFDTUAYMNZNMW-LJQANCHMSA-N -1 0 342.395 3.556 20 0 EHADRM CCCC[C@@H](S[C@H](CC)C(=O)Nc1ccc(OC)cc1)C(=O)[O-] ZINC001595651711 982025095 /nfs/dbraw/zinc/02/50/95/982025095.db2.gz JSHQHXJYZAQZGT-HUUCEWRRSA-N -1 0 339.457 3.789 20 0 EHADRM CC[C@](C)(NC(=O)CCCOc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001594836698 982040383 /nfs/dbraw/zinc/04/03/83/982040383.db2.gz FDDCWEUUKAVFKK-IBGZPJMESA-N -1 0 335.444 3.513 20 0 EHADRM CCCC[C@@H](SCC(=O)N1c2ccccc2CC[C@H]1C)C(=O)[O-] ZINC001595654869 982041324 /nfs/dbraw/zinc/04/13/24/982041324.db2.gz FUJMRTCSYYRGHV-CZUORRHYSA-N -1 0 335.469 3.731 20 0 EHADRM CCCC[C@H](SCC(=O)Nc1c(C)cccc1Cl)C(=O)[O-] ZINC001595655007 982042645 /nfs/dbraw/zinc/04/26/45/982042645.db2.gz HACDHFXMPQPKCZ-LBPRGKRZSA-N -1 0 329.849 3.964 20 0 EHADRM CC(C)c1c(NC(=O)[C@H](C)CC(=O)[O-])cnn1-c1ccccc1Cl ZINC000910656255 982043802 /nfs/dbraw/zinc/04/38/02/982043802.db2.gz KBFCPSZQHDESRZ-LLVKDONJSA-N -1 0 349.818 3.698 20 0 EHADRM CCCCC1CCC(NC(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC001595660519 982071261 /nfs/dbraw/zinc/07/12/61/982071261.db2.gz HRSVVCIZBPYIPD-UHFFFAOYSA-N -1 0 332.444 3.933 20 0 EHADRM CCCC[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001595661108 982073965 /nfs/dbraw/zinc/07/39/65/982073965.db2.gz PJJKRHJBXKOKCU-MLGOLLRUSA-N -1 0 336.407 3.682 20 0 EHADRM CCC(CC)[C@H](C)C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910717638 982079686 /nfs/dbraw/zinc/07/96/86/982079686.db2.gz FAYSCSBPOFVFGS-GXFFZTMASA-N -1 0 338.473 3.886 20 0 EHADRM CCCCCC(C)(C)C(=O)NC[C@H](Cc1cccc(C)c1)C(=O)[O-] ZINC001595662614 982079926 /nfs/dbraw/zinc/07/99/26/982079926.db2.gz GXPKJOXTPLQOKC-KRWDZBQOSA-N -1 0 333.472 3.961 20 0 EHADRM CCCCC[C@H](C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1)C(C)C ZINC001595663057 982082000 /nfs/dbraw/zinc/08/20/00/982082000.db2.gz QOZRQPQZMQCWNR-NEPJUHHUSA-N -1 0 326.462 3.871 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)C[C@H]2C=CCCC2)nc1C(=O)[O-] ZINC000910724331 982088335 /nfs/dbraw/zinc/08/83/35/982088335.db2.gz RDKVBPZOEAELFY-STQMWFEESA-N -1 0 334.441 3.560 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)C[C@@H]2C=CCCC2)nc1C(=O)[O-] ZINC000910724323 982088755 /nfs/dbraw/zinc/08/87/55/982088755.db2.gz RDKVBPZOEAELFY-CHWSQXEVSA-N -1 0 334.441 3.560 20 0 EHADRM CC(C)(C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)c1ccccc1F ZINC000910735243 982098095 /nfs/dbraw/zinc/09/80/95/982098095.db2.gz ZGHPIZFDCMYLMN-UHFFFAOYSA-N -1 0 348.399 3.774 20 0 EHADRM CCCCC[C@](C)(CC)C(=O)N1CCc2ccc(C(=O)[O-])nc2C1 ZINC001595666545 982102418 /nfs/dbraw/zinc/10/24/18/982102418.db2.gz MKJHHJZFXMPNMH-IBGZPJMESA-N -1 0 332.444 3.661 20 0 EHADRM CCCCC[C@H](CC)C(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001595670995 982122029 /nfs/dbraw/zinc/12/20/29/982122029.db2.gz WVXPKFWFJKCTMM-YOFIQYCBSA-N -1 0 341.517 3.838 20 0 EHADRM CCCCC[C@H](NC(=O)/C=C/Sc1cc(F)ccc1F)C(=O)[O-] ZINC001595672769 982136673 /nfs/dbraw/zinc/13/66/73/982136673.db2.gz SIEVSBWACBZWHM-XEHSLEBBSA-N -1 0 343.395 3.720 20 0 EHADRM CCCCC[C@H](NC(=O)C[C@H](C)c1c[nH]c2ccccc21)C(=O)[O-] ZINC001595673215 982139488 /nfs/dbraw/zinc/13/94/88/982139488.db2.gz WEGLYCLKGGVEAD-GUYCJALGSA-N -1 0 330.428 3.811 20 0 EHADRM CC(C)(CNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21)CC(=O)[O-] ZINC000910822936 982140244 /nfs/dbraw/zinc/14/02/44/982140244.db2.gz MZEDDGNLAJNUDB-IAGOWNOFSA-N -1 0 325.408 3.560 20 0 EHADRM CCCCC[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C)c1ccccc1 ZINC001595673278 982140629 /nfs/dbraw/zinc/14/06/29/982140629.db2.gz VBMRIBVRYVMJOU-OIISXLGYSA-N -1 0 332.444 3.813 20 0 EHADRM CCCCC[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)C(=O)[O-] ZINC001595675958 982145290 /nfs/dbraw/zinc/14/52/90/982145290.db2.gz FLXBOXSRXRBELB-CQSZACIVSA-N -1 0 333.359 3.849 20 0 EHADRM CCCCC[C@H](NC(=O)c1csc(Br)c1C)C(=O)[O-] ZINC001595682024 982165880 /nfs/dbraw/zinc/16/58/80/982165880.db2.gz XIRQJWYPDJHADL-JTQLQIEISA-N -1 0 348.262 3.582 20 0 EHADRM CO[C@@H]1CCC[C@H](CC(=O)Nc2ccc(SC)c(C(=O)[O-])c2)C1 ZINC000910946388 982171743 /nfs/dbraw/zinc/17/17/43/982171743.db2.gz NQQRLWHFZBYONO-WCQYABFASA-N -1 0 337.441 3.641 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1CCN(C)c2ccccc21 ZINC000910958997 982177947 /nfs/dbraw/zinc/17/79/47/982177947.db2.gz OIGFXTUIBLZPIP-INIZCTEOSA-N -1 0 338.407 3.509 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)CCc1ncc(C(C)(C)C)o1 ZINC000910959969 982178058 /nfs/dbraw/zinc/17/80/58/982178058.db2.gz XECUGKPXYDQEEP-UHFFFAOYSA-N -1 0 344.411 3.804 20 0 EHADRM O=C([O-])c1cnc([C@H]2CCN(C(=O)CCCC3CCCC3)C2)s1 ZINC000911036036 982201803 /nfs/dbraw/zinc/20/18/03/982201803.db2.gz XMPPUZXCOTXBRY-ZDUSSCGKSA-N -1 0 336.457 3.518 20 0 EHADRM CCCCCC[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001595694709 982213381 /nfs/dbraw/zinc/21/33/81/982213381.db2.gz HBGWETTXBUIQIN-KDOFPFPSSA-N -1 0 344.455 3.886 20 0 EHADRM Cc1cc(NC(=O)CCC[C@H](O)c2ccccc2)cc(C(=O)[O-])c1 ZINC000911066989 982224154 /nfs/dbraw/zinc/22/41/54/982224154.db2.gz IUKYMOZXKLETNW-KRWDZBQOSA-N -1 0 327.380 3.536 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccccc1Oc1ccccn1 ZINC000911082028 982229290 /nfs/dbraw/zinc/22/92/90/982229290.db2.gz GJHKIZIHACOUTM-UHFFFAOYSA-N -1 0 328.368 3.703 20 0 EHADRM COc1ccc(Cl)c(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC000911165049 982264253 /nfs/dbraw/zinc/26/42/53/982264253.db2.gz FRZNGRPIOSZBSV-UHFFFAOYSA-N -1 0 337.803 3.712 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)CCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC001594887171 982269672 /nfs/dbraw/zinc/26/96/72/982269672.db2.gz JNZUPMFBKONELD-OTYXRUKQSA-N -1 0 332.227 3.542 20 0 EHADRM Cc1cc(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)ccc1N1CCCC1 ZINC000911213957 982288633 /nfs/dbraw/zinc/28/86/33/982288633.db2.gz LGVIUJUKOLFFLU-UHFFFAOYSA-N -1 0 342.439 3.569 20 0 EHADRM CC(C)CN(C(=O)c1[nH]c2ccccc2c1CC(=O)[O-])C1CCCC1 ZINC000911221271 982290489 /nfs/dbraw/zinc/29/04/89/982290489.db2.gz UCRMFKRKKFJKTF-UHFFFAOYSA-N -1 0 342.439 3.836 20 0 EHADRM CCCCCCOCC(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC001595710130 982293737 /nfs/dbraw/zinc/29/37/37/982293737.db2.gz DGKPDUPRXNUMJW-UHFFFAOYSA-N -1 0 325.430 3.642 20 0 EHADRM CCCCCCO[C@H](C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001595711394 982299650 /nfs/dbraw/zinc/29/96/50/982299650.db2.gz WETPZHJWAPGANX-LLVKDONJSA-N -1 0 327.808 3.962 20 0 EHADRM CCCCCCOCC(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC001595711589 982300512 /nfs/dbraw/zinc/30/05/12/982300512.db2.gz YBKLJOXWDAYEAZ-LJQANCHMSA-N -1 0 343.423 3.679 20 0 EHADRM CCCCCN(Cc1ccc(F)cc1)C(=O)c1ccoc1CC(=O)[O-] ZINC001595715873 982318041 /nfs/dbraw/zinc/31/80/41/982318041.db2.gz JWNGCGISGFLFBX-UHFFFAOYSA-N -1 0 347.386 3.878 20 0 EHADRM CCCCN(C(=O)c1cc(C(=O)[O-])ccn1)[C@H](C)c1ccccc1 ZINC001595731707 982363784 /nfs/dbraw/zinc/36/37/84/982363784.db2.gz FMIJYQZUHBGECO-CQSZACIVSA-N -1 0 326.396 3.783 20 0 EHADRM CCCCN(C)c1ccc(C(=O)NCC2(CC(=O)[O-])CCCC2)cc1 ZINC001595740656 982397017 /nfs/dbraw/zinc/39/70/17/982397017.db2.gz RVWLADBUJDQPBI-UHFFFAOYSA-N -1 0 346.471 3.688 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001594909782 982411292 /nfs/dbraw/zinc/41/12/92/982411292.db2.gz WYQBIRBNRKWSIG-ZWNOBZJWSA-N -1 0 346.349 3.503 20 0 EHADRM CC(C)[C@H](CNC(=O)c1cc(C(=O)[O-])ccc1Cl)c1cccnc1 ZINC000911570593 982510462 /nfs/dbraw/zinc/51/04/62/982510462.db2.gz XPAAGEYXXGSTJY-HNNXBMFYSA-N -1 0 346.814 3.603 20 0 EHADRM CCCCOc1cccc(NC(=O)N2CCC[C@@](C)(C(=O)[O-])C2)c1 ZINC001595781185 982560325 /nfs/dbraw/zinc/56/03/25/982560325.db2.gz ZQRDNMZAUGOSIH-GOSISDBHSA-N -1 0 334.416 3.584 20 0 EHADRM O=C([O-])CC1(CC(=O)N2CCC[C@H](CC(F)(F)F)C2)CCCC1 ZINC000911653239 982584114 /nfs/dbraw/zinc/58/41/14/982584114.db2.gz BMEZGWBPSMAXJF-GFCCVEGCSA-N -1 0 335.366 3.603 20 0 EHADRM CC(C)[C@H](CC(F)(F)F)NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000911668432 982594970 /nfs/dbraw/zinc/59/49/70/982594970.db2.gz RRCXDAFPSMYCGA-NSHDSACASA-N -1 0 337.725 3.745 20 0 EHADRM CCCCc1nc(-c2cn([C@H]3CCC[C@@H](C(=O)[O-])C3)nn2)cs1 ZINC001595797564 982607478 /nfs/dbraw/zinc/60/74/78/982607478.db2.gz PFSRGMPKHQLENK-NEPJUHHUSA-N -1 0 334.445 3.560 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)CCOc1ccc(C(C)C)cc1)C(=O)[O-] ZINC001594939574 982611116 /nfs/dbraw/zinc/61/11/16/982611116.db2.gz UJHHUVAWCLNJGK-YOEHRIQHSA-N -1 0 335.444 3.585 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)CCCc1ccc(SC)cc1)C(=O)[O-] ZINC001594939580 982611564 /nfs/dbraw/zinc/61/15/64/982611564.db2.gz USFQRIUVFCYEEO-XJKSGUPXSA-N -1 0 337.485 3.737 20 0 EHADRM CC(C)Oc1c(NC(=O)c2scnc2C2CC2)cccc1C(=O)[O-] ZINC000911737967 982619700 /nfs/dbraw/zinc/61/97/00/982619700.db2.gz KDTUIGMAOWERNQ-UHFFFAOYSA-N -1 0 346.408 3.758 20 0 EHADRM CC(C)Oc1c(NC(=O)[C@H](C)Cc2ccccc2)cccc1C(=O)[O-] ZINC000911738090 982620715 /nfs/dbraw/zinc/62/07/15/982620715.db2.gz ODSDZPNHBZMYQG-CQSZACIVSA-N -1 0 341.407 3.989 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000911743054 982624782 /nfs/dbraw/zinc/62/47/82/982624782.db2.gz QKNAPXVFPSYCLT-MUJYYYPQSA-N -1 0 339.391 3.837 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)c1cc(Cl)ccc1OC(C)C)C(=O)[O-] ZINC001594945012 982630619 /nfs/dbraw/zinc/63/06/19/982630619.db2.gz MTJGDTBICAULET-SMDDNHRTSA-N -1 0 341.835 3.746 20 0 EHADRM CN(C)c1ccc2cc(NC(=O)CC(C)(C)CC(=O)[O-])ccc2c1 ZINC000911754390 982631880 /nfs/dbraw/zinc/63/18/80/982631880.db2.gz JVMQHEAMVAXNCT-UHFFFAOYSA-N -1 0 328.412 3.735 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)c1ccccc1CCC(F)(F)F)C(=O)[O-] ZINC001594947000 982645692 /nfs/dbraw/zinc/64/56/92/982645692.db2.gz WCCRIZRIWCJEGI-SMDDNHRTSA-N -1 0 345.361 3.801 20 0 EHADRM CCCN(C(=O)[C@@H](OCC1CCCC1)c1ccccc1)[C@H](C)C(=O)[O-] ZINC001595814818 982662179 /nfs/dbraw/zinc/66/21/79/982662179.db2.gz VJIVXLVVENDRLS-QAPCUYQASA-N -1 0 347.455 3.646 20 0 EHADRM CCCN(C(=O)CCOc1cc(C)ccc1C(C)C)[C@H](C)C(=O)[O-] ZINC001595815965 982668894 /nfs/dbraw/zinc/66/88/94/982668894.db2.gz GBMOPWYNDNLSFE-OAHLLOKOSA-N -1 0 335.444 3.599 20 0 EHADRM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000917659630 982681176 /nfs/dbraw/zinc/68/11/76/982681176.db2.gz IDSHFSJPOQKMHH-JTQLQIEISA-N -1 0 349.383 3.652 20 0 EHADRM CC[C@H](C)CCC(=O)N(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001594953783 982682100 /nfs/dbraw/zinc/68/21/00/982682100.db2.gz WKRFKLFLQNSUKR-BJOHPYRUSA-N -1 0 331.334 3.514 20 0 EHADRM CC[C@H](C)CCC(=O)N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001594956876 982690320 /nfs/dbraw/zinc/69/03/20/982690320.db2.gz HXWDWDVASVCADQ-HZMBPMFUSA-N -1 0 331.334 3.774 20 0 EHADRM CC[C@@H](C)CCNC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001594958845 982700790 /nfs/dbraw/zinc/70/07/90/982700790.db2.gz HHMLMJQUUNIZJG-SECBINFHSA-N -1 0 330.331 3.544 20 0 EHADRM COc1cccc(C[C@H](C)CC(=O)Nc2ccc(CC(=O)[O-])cc2)c1 ZINC000923076767 982708913 /nfs/dbraw/zinc/70/89/13/982708913.db2.gz VQYRHAJLWVLDRO-AWEZNQCLSA-N -1 0 341.407 3.530 20 0 EHADRM CCCN(C(=O)c1cc2cccc(Cl)c2s1)[C@@H](C)C(=O)[O-] ZINC001595826913 982710993 /nfs/dbraw/zinc/71/09/93/982710993.db2.gz IZOKXEHDBNTQCW-VIFPVBQESA-N -1 0 325.817 3.880 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)CCCOCCc1ccccc1 ZINC000923093182 982718231 /nfs/dbraw/zinc/71/82/31/982718231.db2.gz ZOUSGTHQAHSLAB-UHFFFAOYSA-N -1 0 347.436 3.733 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)[C@@H](C)OCc1cccc(C)c1 ZINC000923093719 982718722 /nfs/dbraw/zinc/71/87/22/982718722.db2.gz WBDAOBSEAOGPHS-LLVKDONJSA-N -1 0 333.409 3.607 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)/C(F)=C/c1ccc(C(F)(F)F)cc1 ZINC001594968200 982732779 /nfs/dbraw/zinc/73/27/79/982732779.db2.gz JDZKYJKLDBCRGW-AAIQCTMTSA-N -1 0 347.308 3.728 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC001594968728 982734974 /nfs/dbraw/zinc/73/49/74/982734974.db2.gz RSICOPOEXQMNGL-MNOVXSKESA-N -1 0 331.334 3.521 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)NCc2ccc(Cl)cc2)cc1 ZINC000108066683 1014876250 /nfs/dbraw/zinc/87/62/50/1014876250.db2.gz CITSUQKXNBXMIA-QHCPKHFHSA-N -1 0 349.883 3.887 20 0 EHADRM C[C@H](CCC(=O)NCCc1ccccc1C(=O)[O-])c1ccccc1 ZINC000923121970 982741706 /nfs/dbraw/zinc/74/17/06/982741706.db2.gz IXPYUIUNQFGJKN-OAHLLOKOSA-N -1 0 325.408 3.627 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cccn1[C@@H](C)Cc1ccccc1 ZINC001594977276 982755537 /nfs/dbraw/zinc/75/55/37/982755537.db2.gz IOVCQOTWYYFCLT-CVEARBPZSA-N -1 0 342.439 3.617 20 0 EHADRM CCCN(C)c1ccc(C(=O)Oc2cc(C(=O)[O-])cc(F)c2C)cc1 ZINC001595840469 982760922 /nfs/dbraw/zinc/76/09/22/982760922.db2.gz YLXPSMIJHBFPOW-UHFFFAOYSA-N -1 0 345.370 3.898 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)N2CCc3sccc3C2)cc1 ZINC000108067000 1014878828 /nfs/dbraw/zinc/87/88/28/1014878828.db2.gz MZJNMRFPAQCMPG-QHCPKHFHSA-N -1 0 347.505 3.564 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cc2cc(Cl)ccc2s1 ZINC000923153324 982767241 /nfs/dbraw/zinc/76/72/41/982767241.db2.gz QKLOCRLBGNEMTB-NXEZZACHSA-N -1 0 337.828 3.880 20 0 EHADRM CC[C@@H](C)N(CCc1ccccc1F)C(=O)c1oc(C(=O)[O-])cc1C ZINC001594985255 982798152 /nfs/dbraw/zinc/79/81/52/982798152.db2.gz LANNYKZNLKAQGP-CYBMUJFWSA-N -1 0 347.386 3.909 20 0 EHADRM CSc1ccsc1C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1 ZINC000923175169 982826905 /nfs/dbraw/zinc/82/69/05/982826905.db2.gz HOUOOBSAUATHJO-GFCCVEGCSA-N -1 0 341.498 3.871 20 0 EHADRM CC(C)(CC(=O)NC[C@H](C(=O)[O-])C1CCCCCC1)C(F)(F)F ZINC000923177724 982829308 /nfs/dbraw/zinc/82/93/08/982829308.db2.gz YEPYDYCKEHSQPE-LBPRGKRZSA-N -1 0 337.382 3.752 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2cccc(-c3ccon3)c2)CCCC1 ZINC000923220985 982851819 /nfs/dbraw/zinc/85/18/19/982851819.db2.gz QFDJGIIJAXVSJD-UHFFFAOYSA-N -1 0 328.368 3.705 20 0 EHADRM CCCN(CC1CCCCC1)C(=O)NCc1cc(C(=O)[O-])c(C)n1C ZINC001595870522 982853510 /nfs/dbraw/zinc/85/35/10/982853510.db2.gz NZQLPCFTVIQSDZ-UHFFFAOYSA-N -1 0 349.475 3.534 20 0 EHADRM CCCN(CCC)c1ccc(NC(=O)c2ccnc(C(=O)[O-])c2)cc1 ZINC001595878701 982873751 /nfs/dbraw/zinc/87/37/51/982873751.db2.gz BDKULDTWXQJNML-UHFFFAOYSA-N -1 0 341.411 3.659 20 0 EHADRM CC[C@H](C)Oc1cc(C(=O)Oc2ccc(C(=O)[O-])cc2Cl)ccn1 ZINC001594996713 982901558 /nfs/dbraw/zinc/90/15/58/982901558.db2.gz NVCBARZRINASLH-JTQLQIEISA-N -1 0 349.770 3.830 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc1 ZINC001595000829 982913636 /nfs/dbraw/zinc/91/36/36/982913636.db2.gz YVIYIXNQLVQZRY-AKCHCHLHSA-N -1 0 345.439 3.581 20 0 EHADRM CC[C@@H](C)Sc1ccc(-c2noc([C@@H]3CC[C@H](C(=O)[O-])O3)n2)cc1 ZINC001595004147 982916584 /nfs/dbraw/zinc/91/65/84/982916584.db2.gz HKKRMODMRYRMMA-DDTOSNHZSA-N -1 0 348.424 3.932 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)N1CCCCC[C@H]1C(=O)[O-] ZINC001595004214 982917658 /nfs/dbraw/zinc/91/76/58/982917658.db2.gz IDYQBIMWQODKKU-FVOQVABISA-N -1 0 345.439 3.733 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)N[C@](C)(CC(=O)[O-])C2CC2)c1 ZINC001595008281 982927982 /nfs/dbraw/zinc/92/79/82/982927982.db2.gz NHVVJPKLSDTZAL-KZULUSFZSA-N -1 0 334.416 3.629 20 0 EHADRM CCCN(Cc1ccccc1F)C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001595891674 982928374 /nfs/dbraw/zinc/92/83/74/982928374.db2.gz ZJMVUNMRVMHBLZ-UHFFFAOYSA-N -1 0 333.334 3.715 20 0 EHADRM CC[C@@H](C)Oc1ccc(NC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])cc1 ZINC001595009774 982936983 /nfs/dbraw/zinc/93/69/83/982936983.db2.gz YWGFGXGRCMCMCC-DVOMOZLQSA-N -1 0 334.416 3.629 20 0 EHADRM CC[C@H](C)c1ccc(OS(=O)(=O)CC2(C(=O)[O-])CCCC2)cc1 ZINC001595010173 982939449 /nfs/dbraw/zinc/93/94/49/982939449.db2.gz OCZAMKCXYCKSFF-ZDUSSCGKSA-N -1 0 340.441 3.554 20 0 EHADRM Cc1c(NC(=O)C[C@H]2C=CCC2)cc(Br)cc1C(=O)[O-] ZINC001119581286 982991600 /nfs/dbraw/zinc/99/16/00/982991600.db2.gz BPDDEZBXJANESE-JTQLQIEISA-N -1 0 338.201 3.751 20 0 EHADRM Cc1cc(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)c(C)n1C1CC1 ZINC001119585675 982994229 /nfs/dbraw/zinc/99/42/29/982994229.db2.gz QMTKFHVAIAAOTK-UHFFFAOYSA-N -1 0 345.424 3.724 20 0 EHADRM CCCOc1nc(C)ccc1C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001595974771 983203768 /nfs/dbraw/zinc/20/37/68/983203768.db2.gz DDNMYGATPQMYKK-UHFFFAOYSA-N -1 0 349.770 3.750 20 0 EHADRM CCCc1c(C(=O)NCC(C)(C)C2=CCCC2)[nH]c(C)c1C(=O)[O-] ZINC001596037081 983317575 /nfs/dbraw/zinc/31/75/75/983317575.db2.gz ARDHACAPTXGNNH-UHFFFAOYSA-N -1 0 332.444 3.840 20 0 EHADRM CCCc1cc(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)ccc1Cl ZINC001596054789 983356799 /nfs/dbraw/zinc/35/67/99/983356799.db2.gz AVDXCPDJBNOVCZ-CQSZACIVSA-N -1 0 325.836 3.912 20 0 EHADRM CCCc1ccc([C@H](NC(=O)c2ccc(C(=O)[O-])cn2)C(C)C)cc1 ZINC001596062194 983370904 /nfs/dbraw/zinc/37/09/04/983370904.db2.gz BGPFBDSSTDHUBJ-GOSISDBHSA-N -1 0 340.423 3.859 20 0 EHADRM CCCc1ccc([C@H](NC(=O)NC2CC(CC(=O)[O-])C2)C(C)C)cc1 ZINC001596062919 983373788 /nfs/dbraw/zinc/37/37/88/983373788.db2.gz NAOVDQSIVFYBPO-GXOAENINSA-N -1 0 346.471 3.889 20 0 EHADRM CCCc1ccc(NC(=O)N[C@](C)(CC(=O)[O-])c2ccncc2)cc1 ZINC001596065148 983379261 /nfs/dbraw/zinc/37/92/61/983379261.db2.gz SIQQQXIHBNQRCJ-LJQANCHMSA-N -1 0 341.411 3.546 20 0 EHADRM CCCc1ccc(CNc2ccc3cnn(CC(=O)[O-])c3c2)s1 ZINC001596065492 983380947 /nfs/dbraw/zinc/38/09/47/983380947.db2.gz ZIFOLUXJWXPBTD-UHFFFAOYSA-N -1 0 329.425 3.747 20 0 EHADRM CCCc1ccccc1C(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC001596070494 983385300 /nfs/dbraw/zinc/38/53/00/983385300.db2.gz HBGQOPPYKDUAEF-GOSISDBHSA-N -1 0 325.408 3.546 20 0 EHADRM CCN(C(=O)[C@H](C)Sc1nc(C(=O)[O-])cs1)C1CCCCC1 ZINC001596131206 983478299 /nfs/dbraw/zinc/47/82/99/983478299.db2.gz JVBZVJNHVQYNNU-JTQLQIEISA-N -1 0 342.486 3.503 20 0 EHADRM CCN(C(=O)Cc1ccc(C2CCCCC2)cc1)C(C)(C)C(=O)[O-] ZINC001596142681 983494571 /nfs/dbraw/zinc/49/45/71/983494571.db2.gz BBIARHRJXVVHCM-UHFFFAOYSA-N -1 0 331.456 3.989 20 0 EHADRM CCN(C(=O)CSCc1cccs1)c1ccccc1C(=O)[O-] ZINC001596143650 983497751 /nfs/dbraw/zinc/49/77/51/983497751.db2.gz SHPKLQWGKRZCBM-UHFFFAOYSA-N -1 0 335.450 3.733 20 0 EHADRM COc1ccc(-c2nc(C[S@@](=O)c3ccc(O)cc3)cs2)cc1 ZINC000108086044 1014951945 /nfs/dbraw/zinc/95/19/45/1014951945.db2.gz JUJCRBJFTVFEMR-QHCPKHFHSA-N -1 0 345.445 3.832 20 0 EHADRM CCN(C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)C1CCCC1 ZINC001596150328 983509719 /nfs/dbraw/zinc/50/97/19/983509719.db2.gz HFJVHOPCEVQCNP-UHFFFAOYSA-N -1 0 342.342 3.783 20 0 EHADRM CCN(C(=O)Nc1cnc(C)c(C(=O)[O-])c1)[C@H](C)Cc1ccsc1 ZINC001596158260 983520561 /nfs/dbraw/zinc/52/05/61/983520561.db2.gz MSLVLLROHSCHCL-LLVKDONJSA-N -1 0 347.440 3.635 20 0 EHADRM CCN(CC(=O)Nc1ccc(C(=O)[O-])cc1)c1cccc(Cl)c1 ZINC001596208124 983595949 /nfs/dbraw/zinc/59/59/49/983595949.db2.gz BFASROQABKQZHF-UHFFFAOYSA-N -1 0 332.787 3.503 20 0 EHADRM CCN(CC(C)(C)C)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001596228606 983620519 /nfs/dbraw/zinc/62/05/19/983620519.db2.gz OIRGWYIWISOIMF-UHFFFAOYSA-N -1 0 338.473 3.904 20 0 EHADRM CCN(CCc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001596347727 983799734 /nfs/dbraw/zinc/79/97/34/983799734.db2.gz OLCICMQFNMQSQV-UHFFFAOYSA-N -1 0 326.396 3.790 20 0 EHADRM CCN(CCc1cccs1)C(=O)Nc1cccc(C(=O)[O-])c1C ZINC001596352748 983813406 /nfs/dbraw/zinc/81/34/06/983813406.db2.gz UTVQOUPGLMYJGG-UHFFFAOYSA-N -1 0 332.425 3.851 20 0 EHADRM CCN(Cc1ccccc1C)C(=O)Nc1cc(OC)ccc1C(=O)[O-] ZINC001596371377 983869274 /nfs/dbraw/zinc/86/92/74/983869274.db2.gz ANSLFELWNLFEPY-UHFFFAOYSA-N -1 0 342.395 3.756 20 0 EHADRM O=S(=O)([N-]c1ccnn1C1CCCC1)c1ccc(Cl)cc1F ZINC000066248805 1015029598 /nfs/dbraw/zinc/02/95/98/1015029598.db2.gz XYNAGJMBYQQPHB-UHFFFAOYSA-N -1 0 343.811 3.592 20 0 EHADRM C/C(=C(\F)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12)C1CC1 ZINC001588932428 984608097 /nfs/dbraw/zinc/60/80/97/984608097.db2.gz DDETVFGXXKDBSL-WOJGMQOQSA-N -1 0 343.354 3.895 20 0 EHADRM C/C(=C/C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])c1ccc(F)cc1 ZINC001588933172 984611601 /nfs/dbraw/zinc/61/16/01/984611601.db2.gz PONAOBGSBXLBPE-UVTDQMKNSA-N -1 0 335.419 3.824 20 0 EHADRM C/C(=C\C(=O)N1CCc2cc(C(=O)[O-])ccc2C1)c1ccccc1C ZINC001588940072 984632717 /nfs/dbraw/zinc/63/27/17/984632717.db2.gz XKQGQRCSERBABR-RVDMUPIBSA-N -1 0 335.403 3.681 20 0 EHADRM C/C(=C\C(C)(C)C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001588956188 984702731 /nfs/dbraw/zinc/70/27/31/984702731.db2.gz IOELVYYMBRVPNA-CSKARUKUSA-N -1 0 341.354 3.960 20 0 EHADRM C/C(=C/C(C)(C)C)C(=O)O[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001588956506 984705369 /nfs/dbraw/zinc/70/53/69/984705369.db2.gz RILFTXPUKUFAIJ-UKVQZPPCSA-N -1 0 347.411 3.556 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)OCc1c(F)cc(C(=O)[O-])cc1F ZINC001599892436 984711798 /nfs/dbraw/zinc/71/17/98/984711798.db2.gz OETINOJIDWEOPP-LLVKDONJSA-N -1 0 334.318 3.585 20 0 EHADRM C/C(=C\Cl)CS[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001588990605 984910570 /nfs/dbraw/zinc/91/05/70/984910570.db2.gz BAYNBBCELUNDPF-DJYGCBNOSA-N -1 0 327.833 3.896 20 0 EHADRM C[C@H]1C[C@H](N(C)[C@H](COC2CCC2)C(=O)[O-])c2ccsc2S1 ZINC001599905434 984916157 /nfs/dbraw/zinc/91/61/57/984916157.db2.gz KXQGZMCQEGJZBF-LEWSCRJBSA-N -1 0 341.498 3.628 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC001588996106 984931155 /nfs/dbraw/zinc/93/11/55/984931155.db2.gz ZQDDCTNTIDSVHS-GXDHUFHOSA-N -1 0 327.355 3.655 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)c2cc3ccccc3nc2Cl)(C(=O)[O-])CC1 ZINC001599907283 984940574 /nfs/dbraw/zinc/94/05/74/984940574.db2.gz PFJISQLZHYQCTB-CKSWESSHSA-N -1 0 346.814 3.652 20 0 EHADRM C/C(=C\c1cccc(Cl)c1)C(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC001589001935 984946439 /nfs/dbraw/zinc/94/64/39/984946439.db2.gz NNGLQUJWRMMPAM-ACCUITESSA-N -1 0 335.831 3.989 20 0 EHADRM C[C@H]1CC[C@@](C)(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1(C)C ZINC001599908230 984950523 /nfs/dbraw/zinc/95/05/23/984950523.db2.gz PRTHMMHQAJSVFJ-DJJJIMSYSA-N -1 0 333.428 3.941 20 0 EHADRM C/C(=C\c1ccccc1Cl)C(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC001589003773 984956663 /nfs/dbraw/zinc/95/66/63/984956663.db2.gz LGSDNTFEBNTVHX-PCUGXKRQSA-N -1 0 335.831 3.893 20 0 EHADRM C/C(=C\c1ccccc1C(F)(F)F)COC(=O)[C@@H](C)CC(=O)[O-] ZINC001589004172 984961898 /nfs/dbraw/zinc/96/18/98/984961898.db2.gz ZIGJOKFIWLPLPK-HUYFXPKMSA-N -1 0 330.302 3.763 20 0 EHADRM C/C(=C\c1ccccn1)C(=O)Oc1cc2ccccc2cc1C(=O)[O-] ZINC001589006890 984971827 /nfs/dbraw/zinc/97/18/27/984971827.db2.gz XMVYXHPNIRVIQR-JLHYYAGUSA-N -1 0 333.343 3.942 20 0 EHADRM C/C(=C/c1ccncc1)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001589010813 984983099 /nfs/dbraw/zinc/98/30/99/984983099.db2.gz KAKXIRVUOCTVBR-SEYXRHQNSA-N -1 0 332.359 3.975 20 0 EHADRM CC(=O)[C@H](C)CCCCC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001589022748 985018823 /nfs/dbraw/zinc/01/88/23/985018823.db2.gz FYFQPQKZCHOXKG-LLVKDONJSA-N -1 0 330.384 3.590 20 0 EHADRM CCO[C@H](CC(=O)Nc1c(C)cc(Cl)cc1C(=O)[O-])C(C)C ZINC001596782508 985239087 /nfs/dbraw/zinc/23/90/87/985239087.db2.gz QMVCKOFYQHPNDX-CYBMUJFWSA-N -1 0 327.808 3.736 20 0 EHADRM CCO[C@@H](CC(=O)Nc1c(C(=O)[O-])ccc2ccccc21)C(C)C ZINC001596782613 985239901 /nfs/dbraw/zinc/23/99/01/985239901.db2.gz UKCVBQXKNAUOTE-INIZCTEOSA-N -1 0 329.396 3.928 20 0 EHADRM CCO[C@@H]1C[C@H](NC(=O)Nc2cc(C)cc(C(=O)[O-])c2)C12CCCC2 ZINC001596823557 985425661 /nfs/dbraw/zinc/42/56/61/985425661.db2.gz QTSWZKSTXWNXHF-JKSUJKDBSA-N -1 0 346.427 3.553 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cccc(CCC(=O)[O-])c2)[C@H]2CCCC[C@H]12 ZINC001594482406 985539614 /nfs/dbraw/zinc/53/96/14/985539614.db2.gz OFIKRRTVEHNBAJ-XYPHTWIQSA-N -1 0 330.428 3.746 20 0 EHADRM Cc1[nH]c(C(=O)N2CCC[C@H]2CCC2CCCC2)c(C)c1C(=O)[O-] ZINC001599950984 985606210 /nfs/dbraw/zinc/60/62/10/985606210.db2.gz QZBMOOHKGLIAIK-HNNXBMFYSA-N -1 0 332.444 3.905 20 0 EHADRM Cc1[nH]c(C(=O)N2CCC[C@@H]2CCc2ccccc2)c(C)c1C(=O)[O-] ZINC001599951290 985611326 /nfs/dbraw/zinc/61/13/26/985611326.db2.gz VZGRBNORZPYFDU-MRXNPFEDSA-N -1 0 340.423 3.567 20 0 EHADRM CC(=O)Nc1ccc(NC(=O)Nc2c(C)sc(C)c2C(=O)[O-])cc1 ZINC001589196021 985626038 /nfs/dbraw/zinc/62/60/38/985626038.db2.gz VHXNFCVZGGTERU-UHFFFAOYSA-N -1 0 347.396 3.666 20 0 EHADRM CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001589204744 985663072 /nfs/dbraw/zinc/66/30/72/985663072.db2.gz BZLZBPWSFGWTFL-CYBMUJFWSA-N -1 0 326.396 3.502 20 0 EHADRM Cc1[nH]c(C(=O)Nc2ccccc2SC(F)F)c(C)c1C(=O)[O-] ZINC001599954809 985669465 /nfs/dbraw/zinc/66/94/65/985669465.db2.gz NDGLJRMEPNSELE-UHFFFAOYSA-N -1 0 340.351 3.897 20 0 EHADRM CCOCCC(=O)Nc1sc(C2CCCCC2)cc1C(=O)[O-] ZINC001596896824 985849135 /nfs/dbraw/zinc/84/91/35/985849135.db2.gz FZNHXJGJCODUHC-UHFFFAOYSA-N -1 0 325.430 3.859 20 0 EHADRM Cc1nc(SCc2nc(C(=O)[O-])cs2)[nH]c1Cc1ccccc1 ZINC001599966030 985907052 /nfs/dbraw/zinc/90/70/52/985907052.db2.gz PVZOQJGIWYDMRZ-UHFFFAOYSA-N -1 0 345.449 3.756 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])[nH]c1NC(=O)/C=C/[C@]1(C)CC[C@@H](C)C1(C)C ZINC001589261300 985921062 /nfs/dbraw/zinc/92/10/62/985921062.db2.gz FZCMPYNBWONILK-YTOJRRRHSA-N -1 0 346.427 3.873 20 0 EHADRM CC(=O)c1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C)c2C)c(F)c1 ZINC001589279841 986005548 /nfs/dbraw/zinc/00/55/48/986005548.db2.gz YVWMYMIFTRDZGX-KRWDZBQOSA-N -1 0 344.338 3.628 20 0 EHADRM CC(=O)c1ccc2ccccc2c1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001589306592 986074586 /nfs/dbraw/zinc/07/45/86/986074586.db2.gz XWMSJPRILWGBAI-HUUCEWRRSA-N -1 0 339.391 3.872 20 0 EHADRM CC(=O)c1cccc(OCc2c(Br)cccc2C(=O)[O-])c1 ZINC001589314067 986105383 /nfs/dbraw/zinc/10/53/83/986105383.db2.gz LOXWCTKJCGBYED-UHFFFAOYSA-N -1 0 349.180 3.929 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)[C@H]3C[C@@H]3C3CCCC3)ccc2n1C ZINC001599985678 986224349 /nfs/dbraw/zinc/22/43/49/986224349.db2.gz JYLDOLRMANJBKX-CABCVRRESA-N -1 0 341.407 3.917 20 0 EHADRM CCOc1c(F)cccc1C(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001596991595 986271716 /nfs/dbraw/zinc/27/17/16/986271716.db2.gz OVNWCPRRGNUJAO-UHFFFAOYSA-N -1 0 337.372 3.853 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC001597009990 986347868 /nfs/dbraw/zinc/34/78/68/986347868.db2.gz SYPVODUYBOBDSL-LBPRGKRZSA-N -1 0 345.370 3.740 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CCC2(CCCC2)CC1 ZINC001597014450 986361960 /nfs/dbraw/zinc/36/19/60/986361960.db2.gz GAWJDKXACKKOIE-UHFFFAOYSA-N -1 0 346.427 3.972 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@](C)(CC)C1 ZINC001597017292 986392510 /nfs/dbraw/zinc/39/25/10/986392510.db2.gz XDGKOZCDCRNDJH-SFHVURJKSA-N -1 0 334.416 3.828 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NC1(C)CCC(C)CC1 ZINC001597022437 986420791 /nfs/dbraw/zinc/42/07/91/986420791.db2.gz SGZQCHCWPVCKBJ-UHFFFAOYSA-N -1 0 334.416 3.874 20 0 EHADRM CCOc1cc(NC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)ccc1C ZINC001597042416 986492854 /nfs/dbraw/zinc/49/28/54/986492854.db2.gz PNIMUMXITVKZDX-JXFKEZNVSA-N -1 0 339.391 3.591 20 0 EHADRM C[C@@H](C(=O)NCC(C)(C)CC(=O)[O-])c1c(Cl)cccc1Cl ZINC001589405072 986585718 /nfs/dbraw/zinc/58/57/18/986585718.db2.gz VUJREUVMAYINTA-SECBINFHSA-N -1 0 332.227 3.714 20 0 EHADRM CCOc1ccc(C[C@@H](C)C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC001597085489 986653936 /nfs/dbraw/zinc/65/39/36/986653936.db2.gz XUKDABIQSYDSOW-CYBMUJFWSA-N -1 0 327.380 3.601 20 0 EHADRM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21)C(F)(F)F ZINC001589422315 986663516 /nfs/dbraw/zinc/66/35/16/986663516.db2.gz ILCYEGDABMOLPH-IINYFYTJSA-N -1 0 339.313 3.670 20 0 EHADRM C[C@@H](C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])c1c(Cl)cccc1Cl ZINC001589423942 986685426 /nfs/dbraw/zinc/68/54/26/986685426.db2.gz OVUDSIMNBZAFTA-GBIKHYSHSA-N -1 0 344.238 3.857 20 0 EHADRM C[C@@H](C(=O)Nc1cc(Br)cc(C(=O)[O-])c1Cl)C1CC1 ZINC001589429607 986709893 /nfs/dbraw/zinc/70/98/93/986709893.db2.gz NUKNKHHZVNBFMH-ZCFIWIBFSA-N -1 0 346.608 3.785 20 0 EHADRM C[C@@H](C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O)c1ccccc1F ZINC001589430864 986722585 /nfs/dbraw/zinc/72/25/85/986722585.db2.gz WWQJAWFNBOANOP-MRVPVSSYSA-N -1 0 337.734 3.625 20 0 EHADRM CCOc1ccc(NC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)cc1Cl ZINC001597118015 986796469 /nfs/dbraw/zinc/79/64/69/986796469.db2.gz CGCJBBGNACWJPB-CYBMUJFWSA-N -1 0 342.823 3.750 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cccc2cc(O)ccc21)c1ccccc1 ZINC001589463010 986921603 /nfs/dbraw/zinc/92/16/03/986921603.db2.gz XNMLNMMPEGTRCV-YJYMSZOUSA-N -1 0 349.386 3.737 20 0 EHADRM CCOc1cccc(/C=C/C(=O)O[C@H](C)c2cc(C(=O)[O-])co2)c1 ZINC001597150554 986927496 /nfs/dbraw/zinc/92/74/96/986927496.db2.gz VECCNUSXGIDARA-ABZNLYFFSA-N -1 0 330.336 3.694 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NCc1cc(-c2ccccc2)on1)c1ccccc1 ZINC001589468782 986934414 /nfs/dbraw/zinc/93/44/14/986934414.db2.gz MSLGWTFTMMFYHL-AUUYWEPGSA-N -1 0 336.391 3.893 20 0 EHADRM C[C@H]1c2cc(F)cc(F)c2CCN1Cc1cc(C(=O)[O-])ccc1F ZINC001594666200 986963235 /nfs/dbraw/zinc/96/32/35/986963235.db2.gz RCDTWIRSPXLRII-JTQLQIEISA-N -1 0 335.325 3.921 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)CC1(CSc2ccccc2)CC1)C1CCC1 ZINC001589472096 986964684 /nfs/dbraw/zinc/96/46/84/986964684.db2.gz MZELLQMPXFYEBA-CQSZACIVSA-N -1 0 347.480 3.803 20 0 EHADRM C[C@H]1c2cc(Cl)cc(Cl)c2CCN1Cc1cc(C(=O)[O-])no1 ZINC001594666393 986965343 /nfs/dbraw/zinc/96/53/43/986965343.db2.gz VHDNLCDNQSONPX-QMMMGPOBSA-N -1 0 341.194 3.799 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)CCCCc1ccc(Cl)cc1)C1CCC1 ZINC001589472774 986969388 /nfs/dbraw/zinc/96/93/88/986969388.db2.gz UGHBFKCGWSIVTN-CYBMUJFWSA-N -1 0 337.847 3.907 20 0 EHADRM C[C@@H]1c2ccc(F)cc2CCN1C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001594666963 986969848 /nfs/dbraw/zinc/96/98/48/986969848.db2.gz DHDXRVYQVMFDFK-SNVBAGLBSA-N -1 0 347.773 3.937 20 0 EHADRM C/C=C(/CC)C(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001594677282 987013333 /nfs/dbraw/zinc/01/33/33/987013333.db2.gz YYBDUBYXZMSBFE-NOKKCYSASA-N -1 0 330.211 3.766 20 0 EHADRM CC/C(=C\C(=O)OCc1nc(C)c(C(=O)[O-])s1)c1ccc(C)cc1 ZINC001594693938 987105253 /nfs/dbraw/zinc/10/52/53/987105253.db2.gz IRNOPBYZWMMTDT-UKTHLTGXSA-N -1 0 345.420 3.995 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2Cc3cc(F)c(F)cc3C2)cc1 ZINC001589508795 987130619 /nfs/dbraw/zinc/13/06/19/987130619.db2.gz MIFBXQMSTRJHHZ-SNVBAGLBSA-N -1 0 346.333 3.701 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NCc2cccc3cc[nH]c32)cc1 ZINC001589513102 987155323 /nfs/dbraw/zinc/15/53/23/987155323.db2.gz ZJOJAQGSMZUWJD-GFCCVEGCSA-N -1 0 337.379 3.678 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)C(C)(C)Nc2ccccc2)c1 ZINC001589522677 987180656 /nfs/dbraw/zinc/18/06/56/987180656.db2.gz NHLXNQJFZBYDDX-ZDUSSCGKSA-N -1 0 326.396 3.704 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)Nc2cncc(C(F)F)c2)c1 ZINC001589531206 987200693 /nfs/dbraw/zinc/20/06/93/987200693.db2.gz BJALFFQZUQVNPI-SECBINFHSA-N -1 0 335.310 3.851 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)Nc2ncsc2C2CC2)c1 ZINC001589532111 987210627 /nfs/dbraw/zinc/21/06/27/987210627.db2.gz MNXQJGPRDOETIB-SECBINFHSA-N -1 0 331.397 3.853 20 0 EHADRM O=C(Nc1nnc(Cc2ccccc2)s1)c1c([O-])cccc1Cl ZINC000728208552 1015289362 /nfs/dbraw/zinc/28/93/62/1015289362.db2.gz XKQHOMBQLQMVNY-UHFFFAOYSA-N -1 0 345.811 3.740 20 0 EHADRM CCSC1(CNC(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)CC1 ZINC001597252775 987250376 /nfs/dbraw/zinc/25/03/76/987250376.db2.gz PWGWZNJUZBMJDQ-UHFFFAOYSA-N -1 0 346.811 3.585 20 0 EHADRM CC[C@@H](C(=O)NCc1ccc(C(=O)[O-])c(OC)c1)C1CCC(C)CC1 ZINC001594733705 987254812 /nfs/dbraw/zinc/25/48/12/987254812.db2.gz DGZQQGMGEXWNPO-AVVWSFFYSA-N -1 0 347.455 3.862 20 0 EHADRM CC[C@@H](C(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1)c1ccc(F)cc1 ZINC001594734210 987259661 /nfs/dbraw/zinc/25/96/61/987259661.db2.gz PSUOHSVPUTWWHU-BEFAXECRSA-N -1 0 335.419 3.859 20 0 EHADRM CCS[C@@H]1CC[C@@H](N(C)c2cc(C(F)(F)F)c(C(=O)[O-])cn2)C1 ZINC001597256857 987260421 /nfs/dbraw/zinc/26/04/21/987260421.db2.gz PDNJOXKNJPLIJQ-NXEZZACHSA-N -1 0 348.390 3.909 20 0 EHADRM CC[C@H](C(=O)Nc1ccc(C)cc1C(=O)[O-])c1ccc(OC)cc1 ZINC001594735263 987267691 /nfs/dbraw/zinc/26/76/91/987267691.db2.gz KUSSVODTBWTBLD-HNNXBMFYSA-N -1 0 327.380 3.834 20 0 EHADRM CCSCc1ccccc1C(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC001597265411 987296914 /nfs/dbraw/zinc/29/69/14/987296914.db2.gz UGJBRNQWAIQIFY-QAPCUYQASA-N -1 0 335.469 3.703 20 0 EHADRM CCSc1cccc(NC(=O)NCc2cc(C)c(C(=O)[O-])o2)c1 ZINC001597277716 987338294 /nfs/dbraw/zinc/33/82/94/987338294.db2.gz ZKVMIJQNZUWTQZ-UHFFFAOYSA-N -1 0 334.397 3.720 20 0 EHADRM CCSc1cccnc1C(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC001597279721 987344438 /nfs/dbraw/zinc/34/44/38/987344438.db2.gz JNEJEKAGFPAOCU-UHFFFAOYSA-N -1 0 348.449 3.866 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)N[C@H](C1CC1)C1CCC1)c1ccccc1 ZINC001589592800 987404060 /nfs/dbraw/zinc/40/40/60/987404060.db2.gz CHJFDDCIWWGYCV-DLBZAZTESA-N -1 0 344.455 3.716 20 0 EHADRM CC[C@H](C)[C@H](NCc1ccc(C)c(C(=O)[O-])c1)C(=O)OC(C)(C)C ZINC001597325004 987459611 /nfs/dbraw/zinc/45/96/11/987459611.db2.gz QTZOOYPBSANAAJ-LRDDRELGSA-N -1 0 335.444 3.539 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)OCc2cccc(Cl)c2)C1 ZINC001589611331 987462187 /nfs/dbraw/zinc/46/21/87/987462187.db2.gz GDWYFZFUXDUBPI-ZDUSSCGKSA-N -1 0 339.819 3.799 20 0 EHADRM CC(C)(C(=O)[O-])N(Cc1ccccc1)C(=O)CC(C1CC1)C1CC1 ZINC001589616533 987481958 /nfs/dbraw/zinc/48/19/58/987481958.db2.gz GPFGNDGRSXTSEM-UHFFFAOYSA-N -1 0 329.440 3.705 20 0 EHADRM CC[C@H](N[C@H]1CCC[C@@H](CCCC(=O)[O-])C1)C(=O)OC(C)(C)C ZINC001597349278 987483639 /nfs/dbraw/zinc/48/36/39/987483639.db2.gz CBNRHZMXKHPHEV-KKUMJFAQSA-N -1 0 327.465 3.510 20 0 EHADRM CC(C)(C(=O)[O-])N(Cc1ccccc1)C(=O)c1ccc(Cl)c(F)c1 ZINC001589616861 987485942 /nfs/dbraw/zinc/48/59/42/987485942.db2.gz PYHPVSBARVPFSF-UHFFFAOYSA-N -1 0 349.789 3.985 20 0 EHADRM CCc1[nH]c(C(=O)N2CC[C@H](C)[C@H]2c2ccccc2)c(C)c1C(=O)[O-] ZINC001597357766 987509881 /nfs/dbraw/zinc/50/98/81/987509881.db2.gz JZNNPOUFSRLUDT-SGTLLEGYSA-N -1 0 340.423 3.807 20 0 EHADRM CCc1[nH]c(C(=O)NC[C@@H](CC)c2ccccc2)c(C)c1C(=O)[O-] ZINC001597366227 987536924 /nfs/dbraw/zinc/53/69/24/987536924.db2.gz CHAJWHMVJZOTQL-CYBMUJFWSA-N -1 0 328.412 3.507 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CCC[C@H](OC2CCC2)C1 ZINC000655285500 1015315658 /nfs/dbraw/zinc/31/56/58/1015315658.db2.gz GAJQGDLWUMBQIG-LBPRGKRZSA-N -1 0 343.345 3.585 20 0 EHADRM CCc1[nH]c(CN2CC[C@](F)(c3ccccc3C)C2)cc1C(=O)[O-] ZINC001597383409 987582723 /nfs/dbraw/zinc/58/27/23/987582723.db2.gz FAHUXQDNYSKOIC-LJQANCHMSA-N -1 0 330.403 3.654 20 0 EHADRM CCc1c2ccccc2oc1C(=O)N[C@H](C(=O)[O-])c1ccsc1 ZINC001597406554 987683776 /nfs/dbraw/zinc/68/37/76/987683776.db2.gz VTDOIHMOHQSOKG-AWEZNQCLSA-N -1 0 329.377 3.612 20 0 EHADRM CCc1c(C)sc2[nH]c(Cc3ccc(C(=O)[O-])cc3)nc(=O)c12 ZINC001597416227 987719487 /nfs/dbraw/zinc/71/94/87/987719487.db2.gz MPLLCNNPQKHJGC-UHFFFAOYSA-N -1 0 328.393 3.557 20 0 EHADRM CCc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)ccc1O ZINC001597430739 987771387 /nfs/dbraw/zinc/77/13/87/987771387.db2.gz HJWMQDWZZUOBLB-HNNXBMFYSA-N -1 0 347.798 3.554 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)/C=C/c1ccsc1C(F)(F)F ZINC001589700390 987791226 /nfs/dbraw/zinc/79/12/26/987791226.db2.gz KJSIFAKBTUBOKU-YEZKRMTDSA-N -1 0 349.374 3.786 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)/C=C\c1ccc(F)c2ccccc12 ZINC001589701207 987795251 /nfs/dbraw/zinc/79/52/51/987795251.db2.gz UYVLXQZLOXHDOB-FPISAVPCSA-N -1 0 343.398 3.998 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)Cc2ccccc2SC)s1 ZINC001597440157 987797331 /nfs/dbraw/zinc/79/73/31/987797331.db2.gz AFXXHPWURMVQJL-UHFFFAOYSA-N -1 0 335.450 3.912 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)CO[C@@H]2CCCC[C@@H]2C)s1 ZINC001597440652 987799990 /nfs/dbraw/zinc/79/99/90/987799990.db2.gz HTQIJRUJLQVVLL-GXFFZTMASA-N -1 0 325.430 3.543 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)CO[C@@H]2CCCC[C@H]2C)s1 ZINC001597440655 987800315 /nfs/dbraw/zinc/80/03/15/987800315.db2.gz HTQIJRUJLQVVLL-ZWNOBZJWSA-N -1 0 325.430 3.543 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)Cn2ccc3ccc(F)cc32)s1 ZINC001597442531 987806584 /nfs/dbraw/zinc/80/65/84/987806584.db2.gz CSLLOTUORARXET-UHFFFAOYSA-N -1 0 346.383 3.741 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)c1ccc2c(c1)-c1ccccc1C2 ZINC001589704282 987809790 /nfs/dbraw/zinc/80/97/90/987809790.db2.gz HZCMORDYEIACNG-GOSISDBHSA-N -1 0 337.419 3.877 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2ccc(F)c3cccnc23)s1 ZINC001597445221 987816112 /nfs/dbraw/zinc/81/61/12/987816112.db2.gz IHWDKMDLPCXSQQ-UHFFFAOYSA-N -1 0 344.367 3.948 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)C1(c2ccccc2F)CC1 ZINC001597449526 987833679 /nfs/dbraw/zinc/83/36/79/987833679.db2.gz FTGCFAXRLYFKIY-UHFFFAOYSA-N -1 0 327.355 3.757 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H](C)c1cnccc1C ZINC001597456671 987863967 /nfs/dbraw/zinc/86/39/67/987863967.db2.gz KSCBIFXHJDJUEL-LBPRGKRZSA-N -1 0 327.384 3.533 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1CCCO[C@@H]1CC(C)C ZINC001597456887 987866723 /nfs/dbraw/zinc/86/67/23/987866723.db2.gz DAJNACAMIAUBCX-IAGOWNOFSA-N -1 0 348.443 3.662 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCCO[C@@H]1CCCC[C@@H]1C ZINC001597459351 987885362 /nfs/dbraw/zinc/88/53/62/987885362.db2.gz GLNLUZPWOKGGGW-SUMWQHHRSA-N -1 0 348.443 3.664 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCCCOc1ccccc1 ZINC001597459396 987885615 /nfs/dbraw/zinc/88/56/15/987885615.db2.gz GSIHSBOOJPZMKP-UHFFFAOYSA-N -1 0 342.395 3.538 20 0 EHADRM CC(C)(C)[C@H](Sc1nnc(NCc2cccs2)s1)C(=O)[O-] ZINC001589722578 987892416 /nfs/dbraw/zinc/89/24/16/987892416.db2.gz KFRBPPARDQPDMG-SECBINFHSA-N -1 0 343.499 3.803 20 0 EHADRM CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001589727768 987925202 /nfs/dbraw/zinc/92/52/02/987925202.db2.gz BCTKQVBILJOQLM-MWLCHTKSSA-N -1 0 340.370 3.999 20 0 EHADRM CCc1cc(CCCS[C@@H](Cc2ccc(C)cc2)C(=O)[O-])on1 ZINC001597470916 987926221 /nfs/dbraw/zinc/92/62/21/987926221.db2.gz NYHSZWVESMLCAN-KRWDZBQOSA-N -1 0 333.453 3.907 20 0 EHADRM CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001589728316 987930539 /nfs/dbraw/zinc/93/05/39/987930539.db2.gz IQQMJDLKSKCKME-UHBMGKAKSA-N -1 0 333.428 3.960 20 0 EHADRM CCc1cc(C)cc(CC)c1NC(=O)N1CCC(CC(=O)[O-])CC1 ZINC001597471604 987936786 /nfs/dbraw/zinc/93/67/86/987936786.db2.gz WNMNVOGHXMMRBD-UHFFFAOYSA-N -1 0 332.444 3.838 20 0 EHADRM CC(C)(C)[C@H]1CCc2sc(C(=O)NC3(C(=O)[O-])CCC3)cc2C1 ZINC001589735237 987984446 /nfs/dbraw/zinc/98/44/46/987984446.db2.gz OFKNBPQSJABDLD-LBPRGKRZSA-N -1 0 335.469 3.636 20 0 EHADRM CC(C)(C)[C@H]1CCc2nc(NC(=O)c3c[nH]c(C(=O)[O-])c3)sc2C1 ZINC001589735647 987988493 /nfs/dbraw/zinc/98/84/93/987988493.db2.gz XCWQTKAXEDYXEJ-JTQLQIEISA-N -1 0 347.440 3.573 20 0 EHADRM CC(C)(C)/C=C\C(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001589738691 988005103 /nfs/dbraw/zinc/00/51/03/988005103.db2.gz RAIKXRQEWNKKPD-PLNGDYQASA-N -1 0 344.180 3.827 20 0 EHADRM CCc1cc2c(ncnc2N2CCc3cc(C(=O)[O-])ccc3C2)s1 ZINC001597489211 988008322 /nfs/dbraw/zinc/00/83/22/988008322.db2.gz CUVRCLPAEJYQLP-UHFFFAOYSA-N -1 0 339.420 3.515 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N3CC[C@H](C)C[C@@H]3C(=O)[O-])o2)cc1 ZINC001597492788 988032036 /nfs/dbraw/zinc/03/20/36/988032036.db2.gz WHNLATLMWGQYOH-XJKSGUPXSA-N -1 0 341.407 3.834 20 0 EHADRM CCc1ccc(C(=O)N2C[C@@H](C(=O)[O-])Cc3ccccc32)cc1CC ZINC001597499099 988051634 /nfs/dbraw/zinc/05/16/34/988051634.db2.gz ZZXLQUHUPGGFBL-SFHVURJKSA-N -1 0 337.419 3.715 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)[C@H]1SCCc2sccc21)C(=O)[O-] ZINC001589760138 988082021 /nfs/dbraw/zinc/08/20/21/988082021.db2.gz OXDVBLJFISZZSE-JQWIXIFHSA-N -1 0 328.455 3.511 20 0 EHADRM CC(C)(C)C[C@H]1CCN(C(=O)NC2CCC(C(=O)[O-])CC2)C1(C)C ZINC001589764782 988107698 /nfs/dbraw/zinc/10/76/98/988107698.db2.gz XBMCIRBFGOTSEG-SHARSMKWSA-N -1 0 338.492 3.876 20 0 EHADRM CCc1ccc([C@@H](COC)N[C@@H]2CCCc3ccc(C(=O)[O-])cc32)o1 ZINC001597513614 988114717 /nfs/dbraw/zinc/11/47/17/988114717.db2.gz YNCVOXDFCKHJRP-QZTJIDSGSA-N -1 0 343.423 3.895 20 0 EHADRM CCc1ccc([C@@H]2CCN(C(=O)CC3(CC(=O)[O-])CCCC3)C2)cc1 ZINC001597516545 988127668 /nfs/dbraw/zinc/12/76/68/988127668.db2.gz CXQWVMAOCZOBAW-GOSISDBHSA-N -1 0 343.467 3.990 20 0 EHADRM CC(C)(C)CN(CC(C)(C)C)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001589780115 988148432 /nfs/dbraw/zinc/14/84/32/988148432.db2.gz LSSKFSGGIIZXFK-TUVASFSCSA-N -1 0 338.492 3.590 20 0 EHADRM CC(C)(C)CN(Cc1ccccc1)C(=O)c1csc(C(=O)[O-])n1 ZINC001589780565 988152126 /nfs/dbraw/zinc/15/21/26/988152126.db2.gz BCAPKSLFMBKTMC-UHFFFAOYSA-N -1 0 332.425 3.530 20 0 EHADRM CSCc1ccc(C(=O)N2CCCc3ccc(C(=O)[O-])cc32)cc1 ZINC001599802745 988204524 /nfs/dbraw/zinc/20/45/24/988204524.db2.gz ZMGOUCAFSNVWMR-UHFFFAOYSA-N -1 0 341.432 3.841 20 0 EHADRM CCc1ccc(NC(=O)Nc2cccc(C(=O)[O-])c2OC)cc1OC ZINC001597546348 988250086 /nfs/dbraw/zinc/25/00/86/988250086.db2.gz CRMGGRXWBJXJLL-UHFFFAOYSA-N -1 0 344.367 3.608 20 0 EHADRM CSc1c(F)cccc1C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001599805855 988255237 /nfs/dbraw/zinc/25/52/37/988255237.db2.gz AUMLDDKDGXHKJK-LBPRGKRZSA-N -1 0 339.432 3.559 20 0 EHADRM CSc1c(F)cccc1NC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001599806199 988260760 /nfs/dbraw/zinc/26/07/60/988260760.db2.gz PLXYYLOIPMDNEZ-XIKOKIGWSA-N -1 0 345.395 3.745 20 0 EHADRM CCc1ccc(NC(=O)c2ccc3c(c2)CC(C)(C)O3)c(C(=O)[O-])c1 ZINC001597551010 988271470 /nfs/dbraw/zinc/27/14/70/988271470.db2.gz SGZPVYTYHDSIDO-UHFFFAOYSA-N -1 0 339.391 3.913 20 0 EHADRM CCc1ccc(NC(=O)c2cc(C)n([C@@H](C)CC)n2)c(C(=O)[O-])c1 ZINC001597551164 988272727 /nfs/dbraw/zinc/27/27/27/988272727.db2.gz VMOAFSGAIFHSLY-NSHDSACASA-N -1 0 329.400 3.675 20 0 EHADRM CCc1ccc(N[C@@H](C(=O)[O-])c2cc(OC)cc(OC)c2)cc1F ZINC001597552125 988279781 /nfs/dbraw/zinc/27/97/81/988279781.db2.gz UEZAQSAJRAOXMA-QGZVFWFLSA-N -1 0 333.359 3.643 20 0 EHADRM CSc1cc(CNc2nc(C(F)(F)F)ccc2C(=O)[O-])ccn1 ZINC001599807618 988281537 /nfs/dbraw/zinc/28/15/37/988281537.db2.gz PZHMNCNCLRRCDI-UHFFFAOYSA-N -1 0 343.330 3.528 20 0 EHADRM CSc1cc(NC(=O)CCc2ccc(C(=O)[O-])cc2)ccc1C ZINC001599809125 988303197 /nfs/dbraw/zinc/30/31/97/988303197.db2.gz SZXASLIRXPBCEC-UHFFFAOYSA-N -1 0 329.421 3.986 20 0 EHADRM CCc1ccc2occ(C(=O)NCc3cc(C(=O)[O-])c(C)o3)c2c1 ZINC001597570366 988341965 /nfs/dbraw/zinc/34/19/65/988341965.db2.gz FTRODAYUUPWSSV-UHFFFAOYSA-N -1 0 327.336 3.525 20 0 EHADRM CSc1ccc(CCC(=O)Nc2ccc(C)cc2C(=O)[O-])cc1 ZINC001599813014 988370634 /nfs/dbraw/zinc/37/06/34/988370634.db2.gz SRSDSRAFYVZCBS-UHFFFAOYSA-N -1 0 329.421 3.986 20 0 EHADRM CCc1cccc(C)c1NC(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC001597578690 988374886 /nfs/dbraw/zinc/37/48/86/988374886.db2.gz JQXZUGDJZYNDAY-KRWDZBQOSA-N -1 0 340.423 3.765 20 0 EHADRM CCc1cccc(CC(=O)N(CC(=O)[O-])[C@@H](CC)c2ccccc2)c1 ZINC001597581375 988388461 /nfs/dbraw/zinc/38/84/61/988388461.db2.gz XVTWRFZTTJRWHT-IBGZPJMESA-N -1 0 339.435 3.856 20 0 EHADRM CCc1cccc(CC(=O)Oc2ccc(/C=C\C(=O)[O-])cc2OC)c1 ZINC001597585429 988396080 /nfs/dbraw/zinc/39/60/80/988396080.db2.gz NXXKVTSEFJPDIM-NTMALXAHSA-N -1 0 340.375 3.504 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001599814826 988403625 /nfs/dbraw/zinc/40/36/25/988403625.db2.gz UGWXDZOFZROLLZ-NXEZZACHSA-N -1 0 342.848 3.636 20 0 EHADRM CSc1ccc(NC(=O)Cc2cc(F)ccc2F)cc1C(=O)[O-] ZINC001599815318 988412736 /nfs/dbraw/zinc/41/27/36/988412736.db2.gz FXFOMHMPCZVTAM-UHFFFAOYSA-N -1 0 337.347 3.566 20 0 EHADRM CSc1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1C(=O)[O-] ZINC001599815608 988417699 /nfs/dbraw/zinc/41/76/99/988417699.db2.gz DEEXCQHIBCITCA-LBPRGKRZSA-N -1 0 345.420 3.821 20 0 EHADRM CSc1ccc(NC(=O)[C@@H]2CCC(=O)[C@H](C)C2(C)C)cc1C(=O)[O-] ZINC001599816077 988426945 /nfs/dbraw/zinc/42/69/45/988426945.db2.gz PMHWCPXNPHFNLD-GWCFXTLKSA-N -1 0 349.452 3.687 20 0 EHADRM CCc1cccc(F)c1COC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001597593606 988429505 /nfs/dbraw/zinc/42/95/05/988429505.db2.gz VPINEEIDVRNNPU-UHFFFAOYSA-N -1 0 330.355 3.762 20 0 EHADRM CCc1cccc(OCC(=O)Oc2ccc(C(=O)[O-])cc2Cl)c1 ZINC001597598206 988450480 /nfs/dbraw/zinc/45/04/80/988450480.db2.gz SOUIGWBINYKNED-UHFFFAOYSA-N -1 0 334.755 3.585 20 0 EHADRM CSc1ccc(NC(=O)NCC[C@@H]2CC[C@@H]3C[C@@H]32)cc1C(=O)[O-] ZINC001599818733 988474089 /nfs/dbraw/zinc/47/40/89/988474089.db2.gz KREBXEVEUPDNAA-DMDPSCGWSA-N -1 0 334.441 3.664 20 0 EHADRM CCc1ccccc1NC(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC001597615174 988530998 /nfs/dbraw/zinc/53/09/98/988530998.db2.gz VMGDLBQJWDKUGC-ZDUSSCGKSA-N -1 0 342.395 3.595 20 0 EHADRM CSc1ccccc1C(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-] ZINC001599823249 988551838 /nfs/dbraw/zinc/55/18/38/988551838.db2.gz IRCMLIWAGBPGAW-CYBMUJFWSA-N -1 0 329.421 3.524 20 0 EHADRM CSc1cccc(F)c1C(=O)Nc1ccc2c(c1)[nH]cc2C(=O)[O-] ZINC001599823382 988553985 /nfs/dbraw/zinc/55/39/85/988553985.db2.gz AMMGCMONFWIYFR-UHFFFAOYSA-N -1 0 344.367 3.979 20 0 EHADRM CSc1ccccc1-c1ccc(N2CCC(C(=O)[O-])CC2)nc1 ZINC001599823511 988556225 /nfs/dbraw/zinc/55/62/25/988556225.db2.gz UGEKRBUDXJXZLT-UHFFFAOYSA-N -1 0 328.437 3.772 20 0 EHADRM CSc1ccccc1CC(=O)NC1(CCC(=O)[O-])CCCCC1 ZINC001599823881 988562628 /nfs/dbraw/zinc/56/26/28/988562628.db2.gz JMBKEQJIOZBCOO-UHFFFAOYSA-N -1 0 335.469 3.635 20 0 EHADRM CSc1ccccc1N[C@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001599825355 988589221 /nfs/dbraw/zinc/58/92/21/988589221.db2.gz UZVDUIVYRORXNY-GFCCVEGCSA-N -1 0 344.436 3.936 20 0 EHADRM CCc1[nH]nc(NC(=O)CC(C)(C)CC(=O)[O-])c1-c1cccs1 ZINC001597644662 988655381 /nfs/dbraw/zinc/65/53/81/988655381.db2.gz QVWDMFKCXBOCEN-UHFFFAOYSA-N -1 0 335.429 3.530 20 0 EHADRM CCc1nc(C(C)C)ccc1C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001597652061 988697044 /nfs/dbraw/zinc/69/70/44/988697044.db2.gz IIWIBILFLMJQII-OAHLLOKOSA-N -1 0 346.471 3.778 20 0 EHADRM CCc1nc(CC(=O)Nc2c(C)cc(Cl)cc2C(=O)[O-])cs1 ZINC001597662296 988733785 /nfs/dbraw/zinc/73/37/85/988733785.db2.gz CGLGMMFKCMZPHH-UHFFFAOYSA-N -1 0 338.816 3.547 20 0 EHADRM CCc1nc([C@H]2CCCCN2Cc2c(Cl)cccc2C(=O)[O-])no1 ZINC001597663476 988743118 /nfs/dbraw/zinc/74/31/18/988743118.db2.gz OPJGCBMDALZSFT-CQSZACIVSA-N -1 0 349.818 3.711 20 0 EHADRM C[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1cc(Cl)ccc1Cl ZINC001599839941 988807997 /nfs/dbraw/zinc/80/79/97/988807997.db2.gz XLJCJFDWMVATQG-KXUCPTDWSA-N -1 0 330.211 3.672 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C)C1CCCCCC1 ZINC001599840250 988814518 /nfs/dbraw/zinc/81/45/18/988814518.db2.gz IPNHAZFZCMNQRL-CYBMUJFWSA-N -1 0 347.459 3.931 20 0 EHADRM C[C@@H](NC(=O)c1cc(F)cc(C(=O)[O-])c1)c1ccc2c(c1)CCCC2 ZINC001599840477 988818552 /nfs/dbraw/zinc/81/85/52/988818552.db2.gz ADTBGINRRPZVMA-GFCCVEGCSA-N -1 0 341.382 3.894 20 0 EHADRM CCc1nc2ccc(NC(=O)c3cc(C)c(C(=O)[O-])o3)cc2s1 ZINC001597691081 988879061 /nfs/dbraw/zinc/87/90/61/988879061.db2.gz KYVZFFKXYPZAFZ-UHFFFAOYSA-N -1 0 330.365 3.711 20 0 EHADRM CC(C)(C)OC(=O)N1CCC[C@H](Nc2cccc(CCC(=O)[O-])c2)C1 ZINC001590014729 988982886 /nfs/dbraw/zinc/98/28/86/988982886.db2.gz FSGBWYUBKPOTDD-INIZCTEOSA-N -1 0 348.443 3.515 20 0 EHADRM CCc1oc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1C(=O)[O-] ZINC001597799307 989380534 /nfs/dbraw/zinc/38/05/34/989380534.db2.gz PTMVHZFNHVSXDR-UHFFFAOYSA-N -1 0 348.830 3.516 20 0 EHADRM CCc1oc(CNc2ccc(OC)c3ncccc23)cc1C(=O)[O-] ZINC001597804981 989409840 /nfs/dbraw/zinc/40/98/40/989409840.db2.gz QCRLRDTXGVACOW-UHFFFAOYSA-N -1 0 326.352 3.709 20 0 EHADRM CCc1onc(-c2ccccc2)c1C(=O)Oc1ccc(C(=O)[O-])cc1 ZINC001597811182 989432295 /nfs/dbraw/zinc/43/22/95/989432295.db2.gz ZMMOGWVWWQOREG-UHFFFAOYSA-N -1 0 337.331 3.821 20 0 EHADRM CCc1occc1C(=O)O[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC001597824739 989478650 /nfs/dbraw/zinc/47/86/50/989478650.db2.gz PJPKKZZAHUMVKJ-ZDUSSCGKSA-N -1 0 342.269 3.844 20 0 EHADRM Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)c1c([O-])cccc1F ZINC000274848071 1015487867 /nfs/dbraw/zinc/48/78/67/1015487867.db2.gz VECJMARDVZMHGA-AWEZNQCLSA-N -1 0 331.391 3.629 20 0 EHADRM CCn1c(SCc2cc(C)c(C(=O)[O-])o2)nnc1-c1ccccc1 ZINC001597864912 989651497 /nfs/dbraw/zinc/65/14/97/989651497.db2.gz NYZOTOPHAJZKHE-UHFFFAOYSA-N -1 0 343.408 3.857 20 0 EHADRM CCn1c(SCc2cccc(C(=O)[O-])c2Cl)nnc1C1CC1 ZINC001597865305 989654722 /nfs/dbraw/zinc/65/47/22/989654722.db2.gz VFLBRYXOIDRGKO-UHFFFAOYSA-N -1 0 337.832 3.819 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccc(OC(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC001590302704 989728338 /nfs/dbraw/zinc/72/83/38/989728338.db2.gz CAUPIFNUWGJNDF-UHFFFAOYSA-N -1 0 347.323 3.544 20 0 EHADRM CC(C)(C)OC1CC(CC(=O)Oc2ccc(C(=O)[O-])cc2Cl)C1 ZINC001590374362 989867019 /nfs/dbraw/zinc/86/70/19/989867019.db2.gz GCUVZRHFCJEQFW-UHFFFAOYSA-N -1 0 340.803 3.927 20 0 EHADRM CC(C)(C)O[C@@H]1C[C@H]1C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC001590397295 989926034 /nfs/dbraw/zinc/92/60/34/989926034.db2.gz INDDDSGNBWHMQB-MWLCHTKSSA-N -1 0 339.457 3.886 20 0 EHADRM CC(C)(C)OCc1ccccc1C(=O)O[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001590398605 989930602 /nfs/dbraw/zinc/93/06/02/989930602.db2.gz JLLVDAJBZUQWDZ-DZGCQCFKSA-N -1 0 334.412 3.802 20 0 EHADRM CC(C)(C)SCC(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001590429448 989981095 /nfs/dbraw/zinc/98/10/95/989981095.db2.gz ITOQXAGAAYHOPL-UHFFFAOYSA-N -1 0 346.246 3.618 20 0 EHADRM CC(C)(C)SCCCC(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001590429675 989985565 /nfs/dbraw/zinc/98/55/65/989985565.db2.gz SPEFPFPUARSSPF-UHFFFAOYSA-N -1 0 331.384 3.913 20 0 EHADRM CC(C)(C)Sc1c(F)cc(NC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1F ZINC001590430038 989991248 /nfs/dbraw/zinc/99/12/48/989991248.db2.gz YXLMWWNPHGEFLD-DTWKUNHWSA-N -1 0 329.368 3.515 20 0 EHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)OCCCF)cc1 ZINC001590479580 990053751 /nfs/dbraw/zinc/05/37/51/990053751.db2.gz BMCZQHNWKGHGJR-CQSZACIVSA-N -1 0 325.380 3.586 20 0 EHADRM CC(C)(C)c1ccc(/C=C\C(=O)N2C3CCC2(C(=O)[O-])CC3)cc1 ZINC001590479916 990058339 /nfs/dbraw/zinc/05/83/39/990058339.db2.gz MFQFSNKEPCMZLM-TWGQIWQCSA-N -1 0 327.424 3.606 20 0 EHADRM CC(C)(C)c1ccc(C2CCN(c3nccnc3C(=O)[O-])CC2)cc1 ZINC001590480404 990064233 /nfs/dbraw/zinc/06/42/33/990064233.db2.gz UDJJYRQOFRZNKJ-UHFFFAOYSA-N -1 0 339.439 3.856 20 0 EHADRM CC(C)(C)c1ccc(CCCCC(=O)NC2(C(=O)[O-])CCC2)cc1 ZINC001590484758 990080234 /nfs/dbraw/zinc/08/02/34/990080234.db2.gz GDJBKXKZHBRYKI-UHFFFAOYSA-N -1 0 331.456 3.820 20 0 EHADRM CC(C)(C)c1cccc(C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])c1 ZINC001590499496 990113035 /nfs/dbraw/zinc/11/30/35/990113035.db2.gz XGPQJAFRXXXENT-MRXNPFEDSA-N -1 0 331.456 3.995 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCN2C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001590501052 990116624 /nfs/dbraw/zinc/11/66/24/990116624.db2.gz QKXJEQXKCXENMM-OAHLLOKOSA-N -1 0 344.455 3.557 20 0 EHADRM CC(C)(C)c1coc(CN[C@H](c2ccccc2)C(C)(C)C(=O)[O-])n1 ZINC001590526865 990138746 /nfs/dbraw/zinc/13/87/46/990138746.db2.gz LVVGYONYXPLDMI-MRXNPFEDSA-N -1 0 330.428 3.914 20 0 EHADRM CC(C)(C)c1coc(C[NH2+]C[C@H]2CCCc3ccc(C(=O)[O-])cc32)n1 ZINC001590527066 990139615 /nfs/dbraw/zinc/13/96/15/990139615.db2.gz PZJPRNKIHWEWLJ-OAHLLOKOSA-N -1 0 342.439 3.880 20 0 EHADRM CC(C)(C)c1csc(C(=Cc2ccc3[nH]cnc3c2)C(=O)[O-])n1 ZINC001590527054 990139660 /nfs/dbraw/zinc/13/96/60/990139660.db2.gz PLBZYSDSCZQWFP-IZZDOVSWSA-N -1 0 327.409 3.942 20 0 EHADRM CN(C(=O)CC(C)(C)CC(=O)[O-])C1(Cc2ccccc2)CCCC1 ZINC001598006819 990161837 /nfs/dbraw/zinc/16/18/37/990161837.db2.gz AYTDXCQEGGFPCY-UHFFFAOYSA-N -1 0 331.456 3.891 20 0 EHADRM CN(C(=O)CCCCC(=O)c1ccccc1)C1(C(=O)[O-])CCCCC1 ZINC001598013263 990191778 /nfs/dbraw/zinc/19/17/78/990191778.db2.gz ORZXNBGSDUADTN-UHFFFAOYSA-N -1 0 345.439 3.676 20 0 EHADRM CC(C)(C)c1ncc(/C=C\C(=O)O[C@@H]2CCC[C@@H](C(=O)[O-])C2)s1 ZINC001590555927 990193998 /nfs/dbraw/zinc/19/39/98/990193998.db2.gz DATOAPVNYXGEIC-PKJDGDQJSA-N -1 0 337.441 3.640 20 0 EHADRM CN(C(=O)Cc1cccc(C(=O)[O-])c1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001598036535 990263842 /nfs/dbraw/zinc/26/38/42/990263842.db2.gz LFHILGVJFXFNPV-RTBURBONSA-N -1 0 337.419 3.722 20 0 EHADRM CN(C(=O)N[C@@H](CC(C)(C)C)c1ccccc1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598042307 990281688 /nfs/dbraw/zinc/28/16/88/990281688.db2.gz UQCSCAHNDHLVEG-XHSDSOJGSA-N -1 0 332.444 3.669 20 0 EHADRM CC(C)(c1noc(Cc2ccc(C(=O)[O-])nc2)n1)C1=CCCCC1 ZINC001590615374 990289978 /nfs/dbraw/zinc/28/99/78/990289978.db2.gz ULIPTABRSPTXNQ-UHFFFAOYSA-N -1 0 327.384 3.532 20 0 EHADRM CC(C)(CC(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1)CC(F)F ZINC001590621574 990302270 /nfs/dbraw/zinc/30/22/70/990302270.db2.gz FUWNUBVEJHKAJM-UHFFFAOYSA-N -1 0 334.388 3.515 20 0 EHADRM CN(C(=O)Nc1ccc(C(=O)[O-])cn1)c1ccc(C(C)(C)C)cc1 ZINC001598057078 990322559 /nfs/dbraw/zinc/32/25/59/990322559.db2.gz MNRCVKVCTSLFLL-UHFFFAOYSA-N -1 0 327.384 3.746 20 0 EHADRM CC(C)(CC(=O)OCc1ccccc1CC(=O)[O-])CC(F)(F)F ZINC001590648810 990334586 /nfs/dbraw/zinc/33/45/86/990334586.db2.gz IKWHEHGPURTDFM-UHFFFAOYSA-N -1 0 332.318 3.726 20 0 EHADRM CC(C)(CC(F)F)C(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001590654519 990346917 /nfs/dbraw/zinc/34/69/17/990346917.db2.gz OCVZQCYXTZDEBM-CYBMUJFWSA-N -1 0 326.339 3.987 20 0 EHADRM CN(C(=O)OC(C)(C)C)c1ccc(N[C@@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001598066473 990350968 /nfs/dbraw/zinc/35/09/68/990350968.db2.gz GHJMHUUVPOZMSW-TZMCWYRMSA-N -1 0 334.416 3.723 20 0 EHADRM CN(C(=O)[C@@H]1CCCC[C@@H]1c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001598066665 990352856 /nfs/dbraw/zinc/35/28/56/990352856.db2.gz JDFZTUOIQWRYJO-ZIAGYGMSSA-N -1 0 344.436 3.778 20 0 EHADRM CN(C(=O)c1ccccc1)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598093873 990443762 /nfs/dbraw/zinc/44/37/62/990443762.db2.gz TWCZVDYABRVKLK-CQSZACIVSA-N -1 0 338.190 3.891 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)OCc1cccc(C(=O)[O-])n1 ZINC001590821777 990658820 /nfs/dbraw/zinc/65/88/20/990658820.db2.gz AAYQXPJSUUZMPN-UHFFFAOYSA-N -1 0 347.798 3.745 20 0 EHADRM CC(C)(NC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl)C(=O)[O-] ZINC001590858512 990746718 /nfs/dbraw/zinc/74/67/18/990746718.db2.gz GCUXIGVWKXKRJL-UHFFFAOYSA-N -1 0 341.194 3.582 20 0 EHADRM CC(C)=C[C@H]1[C@@H](C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)C1(C)C ZINC001590915573 990903937 /nfs/dbraw/zinc/90/39/37/990903937.db2.gz XDTSFHLSKYDFQI-QWRGUYRKSA-N -1 0 334.441 3.896 20 0 EHADRM CC(C)=CCC[C@@H](C)CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001590921015 990908422 /nfs/dbraw/zinc/90/84/22/990908422.db2.gz CTFPIVLTLMJDEY-RHSMWYFYSA-N -1 0 335.419 3.710 20 0 EHADRM COc1cccc([C@H](NC(=O)CC(C)(C)C2CCCCC2)C(=O)[O-])c1 ZINC001599685600 990982169 /nfs/dbraw/zinc/98/21/69/990982169.db2.gz VJYGLMQVNVOGMF-SFHVURJKSA-N -1 0 347.455 3.934 20 0 EHADRM CC(C)C(=O)c1ccc(NC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)cc1 ZINC001590949516 991007755 /nfs/dbraw/zinc/00/77/55/991007755.db2.gz SBPLZWOFIYABCE-AWEZNQCLSA-N -1 0 334.416 3.536 20 0 EHADRM COc1cccc2c1CCCCN2C(=O)c1ccc(C(=O)[O-])cc1F ZINC001599690237 991057474 /nfs/dbraw/zinc/05/74/74/991057474.db2.gz CGOQJXNSJWDCET-UHFFFAOYSA-N -1 0 343.354 3.516 20 0 EHADRM CC(C)[C@@H](C(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1)c1cccnc1 ZINC001590961804 991062858 /nfs/dbraw/zinc/06/28/58/991062858.db2.gz ZQVXZZSKJTWPNT-QGZVFWFLSA-N -1 0 341.407 3.789 20 0 EHADRM COc1cccc2sc(NC(=O)c3ccc(C)c(C(=O)[O-])c3)nc21 ZINC001599693733 991114171 /nfs/dbraw/zinc/11/41/71/991114171.db2.gz ULBUVGSYXCKFEA-UHFFFAOYSA-N -1 0 342.376 3.564 20 0 EHADRM CC(C)[C@@H](CCc1ccccc1)C(=O)OCc1cccc(C(=O)[O-])n1 ZINC001590980527 991132596 /nfs/dbraw/zinc/13/25/96/991132596.db2.gz GUIFDTSNFPOBGX-QGZVFWFLSA-N -1 0 341.407 3.728 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001599697367 991168723 /nfs/dbraw/zinc/16/87/23/991168723.db2.gz DNIAJSOKRZVZLO-VBKZILBWSA-N -1 0 347.455 3.729 20 0 EHADRM COc1ccccc1[C@H](CNc1ccc(C(=O)[O-])c(C)n1)OC(C)C ZINC001599697865 991175486 /nfs/dbraw/zinc/17/54/86/991175486.db2.gz HXZKKDMEYYRYLT-KRWDZBQOSA-N -1 0 344.411 3.675 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)CC1CCC(F)(F)CC1 ZINC001598292296 991203708 /nfs/dbraw/zinc/20/37/08/991203708.db2.gz FHNLDQDFBLIEPU-UHFFFAOYSA-N -1 0 340.370 3.605 20 0 EHADRM CC(C)[C@H](CSc1ccccc1)OC(=O)c1cncc(C(=O)[O-])c1 ZINC001590994246 991219290 /nfs/dbraw/zinc/21/92/90/991219290.db2.gz YGSPMCBZDXZBFP-INIZCTEOSA-N -1 0 345.420 3.754 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)NCC1CCC(C)(C)CC1 ZINC001598299292 991237532 /nfs/dbraw/zinc/23/75/32/991237532.db2.gz UYONDWJEDVYHOI-UHFFFAOYSA-N -1 0 347.459 3.789 20 0 EHADRM CC(C)[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccc(C(C)(C)C)cc1 ZINC001591007403 991269753 /nfs/dbraw/zinc/26/97/53/991269753.db2.gz FFIXAVVACBYACO-WBVHZDCISA-N -1 0 346.471 3.797 20 0 EHADRM CC(C)[C@H](NC(=O)NCC(C)(C)CC(=O)[O-])c1ccc(Cl)cc1 ZINC001591012886 991278345 /nfs/dbraw/zinc/27/83/45/991278345.db2.gz BVDILRRKYGRFLG-HNNXBMFYSA-N -1 0 340.851 3.837 20 0 EHADRM CC(C)C(NC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21)C(C)C ZINC001591013331 991282902 /nfs/dbraw/zinc/28/29/02/991282902.db2.gz MQQHVXRXWFFGRH-INIZCTEOSA-N -1 0 346.471 3.785 20 0 EHADRM COc1ccccc1CC(=O)N(c1ccccc1C(=O)[O-])C1CCC1 ZINC001599705488 991286781 /nfs/dbraw/zinc/28/67/81/991286781.db2.gz JJYMHBKKYHKCLV-UHFFFAOYSA-N -1 0 339.391 3.522 20 0 EHADRM CC(C)[C@H](NC(=O)c1ccc(C(=O)[O-])cc1F)c1ccccc1F ZINC001591018684 991298053 /nfs/dbraw/zinc/29/80/53/991298053.db2.gz IIDBGIUCDFAXAR-INIZCTEOSA-N -1 0 333.334 3.790 20 0 EHADRM COc1ccccc1CN([C@@H](C)c1ncc(C(=O)[O-])s1)C1CC1 ZINC001599708849 991335844 /nfs/dbraw/zinc/33/58/44/991335844.db2.gz HINWFFQEFNRULI-NSHDSACASA-N -1 0 332.425 3.576 20 0 EHADRM CN(C)c1cccc2sc(C(=O)Oc3cccc(C(=O)[O-])c3)cc21 ZINC001598342522 991414286 /nfs/dbraw/zinc/41/42/86/991414286.db2.gz NPXLMIAHYAFUPM-UHFFFAOYSA-N -1 0 341.388 3.885 20 0 EHADRM CC(C)[C@]1(C)C[C@H]1C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001591058423 991473651 /nfs/dbraw/zinc/47/36/51/991473651.db2.gz PAGCVJPUZLVCLM-SYNHAJSKSA-N -1 0 329.440 3.603 20 0 EHADRM CC(C)[C@@H]1C[C@H](CNc2ncc(C(=O)[O-])cc2C(F)(F)F)CCO1 ZINC001591074334 991550607 /nfs/dbraw/zinc/55/06/07/991550607.db2.gz IOBRWYPQKUBIKH-MFKMUULPSA-N -1 0 346.349 3.662 20 0 EHADRM CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)CC1 ZINC001591081858 991594906 /nfs/dbraw/zinc/59/49/06/991594906.db2.gz LYADCKGYIHRJFK-NNFUDEMPSA-N -1 0 336.476 3.630 20 0 EHADRM CC(C)CC(=O)Nc1ccc(N[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC001591110826 991762815 /nfs/dbraw/zinc/76/28/15/991762815.db2.gz DTBCJRIDHVNCRS-GOSISDBHSA-N -1 0 326.396 3.909 20 0 EHADRM CC(C)C[C@@H](C(=O)N1CC2CC1(C(=O)[O-])C2)c1ccc(Cl)cc1 ZINC001591118604 991785125 /nfs/dbraw/zinc/78/51/25/991785125.db2.gz VWYSREOJUCORCG-HBSPSFQMSA-N -1 0 335.831 3.545 20 0 EHADRM COc1nccc2c(N[C@@H](C)c3ncc(C(=O)[O-])s3)cccc12 ZINC001599736727 991785282 /nfs/dbraw/zinc/78/52/82/991785282.db2.gz HXLDZXRCFFISPX-VIFPVBQESA-N -1 0 329.381 3.571 20 0 EHADRM CC(C)C[C@H](C)C(=O)N[C@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001591129838 991819410 /nfs/dbraw/zinc/81/94/10/991819410.db2.gz CSPCQZSXDPWXEF-YXJHDRRASA-N -1 0 331.456 3.748 20 0 EHADRM CC(C)C[C@@H](C)OC(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001591138022 991851568 /nfs/dbraw/zinc/85/15/68/991851568.db2.gz OJUIDJQXOHTVLF-IUODEOHRSA-N -1 0 333.384 3.589 20 0 EHADRM CC(C)C[C@@H](C)N(C)C(=O)CSCc1csc(C(=O)[O-])c1 ZINC001591138503 991859050 /nfs/dbraw/zinc/85/90/50/991859050.db2.gz ZNCBQABMZBIOIS-LLVKDONJSA-N -1 0 329.487 3.573 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1cc(Cl)cc2ccccc21)C(=O)[O-] ZINC001591153748 991898797 /nfs/dbraw/zinc/89/87/97/991898797.db2.gz PQCQLQQNJAXFMA-CYBMUJFWSA-N -1 0 333.815 3.970 20 0 EHADRM CC(C)C[C@@H](CNc1ncnc2sc3c(c21)CC[C@H](C)C3)C(=O)[O-] ZINC001591162932 991928042 /nfs/dbraw/zinc/92/80/42/991928042.db2.gz PXXFEJSRPBWTGF-RYUDHWBXSA-N -1 0 347.484 3.975 20 0 EHADRM CN(C[C@H]1CCc2ccccc21)C(=O)Nc1ccsc1C(=O)[O-] ZINC001598467635 991977625 /nfs/dbraw/zinc/97/76/25/991977625.db2.gz NQQYLXKHVBVLCU-GFCCVEGCSA-N -1 0 330.409 3.640 20 0 EHADRM CC(C)C[C@@H](NC(=O)Nc1nc(CC(=O)[O-])cs1)c1ccccc1 ZINC001591178878 991978117 /nfs/dbraw/zinc/97/81/17/991978117.db2.gz WRRSPPONTBOWLE-CQSZACIVSA-N -1 0 347.440 3.679 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1c[nH]c(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001591179106 991980182 /nfs/dbraw/zinc/98/01/82/991980182.db2.gz ZWOCBNFYXXSFJG-CQSZACIVSA-N -1 0 334.803 3.884 20 0 EHADRM CC(C)C[C@@H](Sc1nnc(-c2c[nH]c3ccccc32)o1)C(=O)[O-] ZINC001591190866 991997157 /nfs/dbraw/zinc/99/71/57/991997157.db2.gz BSWDCHPLNNMPPI-CYBMUJFWSA-N -1 0 331.397 3.809 20 0 EHADRM CC(C)CC1(CNC(=O)NCCCCC2(C(=O)[O-])CCC2)CCC1 ZINC001591197261 992017904 /nfs/dbraw/zinc/01/79/04/992017904.db2.gz XHZNCRRARYHUJH-UHFFFAOYSA-N -1 0 338.492 3.927 20 0 EHADRM CN(CCCCc1ccccc1)C(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC001598476169 992080228 /nfs/dbraw/zinc/08/02/28/992080228.db2.gz FRWBARBQFKFHIG-UHFFFAOYSA-N -1 0 329.440 3.503 20 0 EHADRM CC(C)CCCCCC(=O)N1c2c(cccc2C(=O)[O-])NC(=O)[C@@H]1C ZINC001591236335 992116637 /nfs/dbraw/zinc/11/66/37/992116637.db2.gz CVZCQMRRHWWILQ-ZDUSSCGKSA-N -1 0 346.427 3.665 20 0 EHADRM CC(C)CCOc1ccc(C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])cc1 ZINC001591259166 992160730 /nfs/dbraw/zinc/16/07/30/992160730.db2.gz DXNSFBQCZQURAO-INIZCTEOSA-N -1 0 335.444 3.731 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)NC[C@H](CC2CC2)C(=O)[O-])cc1 ZINC001591260198 992166219 /nfs/dbraw/zinc/16/62/19/992166219.db2.gz HCPFTTSHCIZZCN-HNNXBMFYSA-N -1 0 348.443 3.734 20 0 EHADRM CN(CCCc1ccccc1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001598485244 992197672 /nfs/dbraw/zinc/19/76/72/992197672.db2.gz NSONKTPJHSGDJC-UHFFFAOYSA-N -1 0 340.423 3.800 20 0 EHADRM CC(C)CN(C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1)C1CC1 ZINC001591280206 992207243 /nfs/dbraw/zinc/20/72/43/992207243.db2.gz FLXVRVQDRUHZJR-UHFFFAOYSA-N -1 0 328.771 3.830 20 0 EHADRM CC(C)CN(C(=O)COc1ccc2ccccc2c1)C(C)(C)C(=O)[O-] ZINC001591280822 992211231 /nfs/dbraw/zinc/21/12/31/992211231.db2.gz RYUSBUDYAGHIHN-UHFFFAOYSA-N -1 0 343.423 3.566 20 0 EHADRM CC(C)CN(C(=O)CCc1ccc(Cl)cc1)C(C)(C)C(=O)[O-] ZINC001591281535 992216890 /nfs/dbraw/zinc/21/68/90/992216890.db2.gz RLYSDVDVWLZZKP-UHFFFAOYSA-N -1 0 325.836 3.620 20 0 EHADRM O=C(c1cncc(O)c1)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000339815961 1015698793 /nfs/dbraw/zinc/69/87/93/1015698793.db2.gz TZULETUYOYLRGK-OAHLLOKOSA-N -1 0 347.212 3.527 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)[C@H](C)CSCc1ccccc1 ZINC001591322305 992293202 /nfs/dbraw/zinc/29/32/02/992293202.db2.gz WRENKDUWWZUFHG-OAHLLOKOSA-N -1 0 337.485 3.515 20 0 EHADRM CC(C)CN(Cc1ccc(F)c(Cl)c1)C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001591343752 992326072 /nfs/dbraw/zinc/32/60/72/992326072.db2.gz DBGQJIKHFCVSDJ-BETUJISGSA-N -1 0 341.810 3.575 20 0 EHADRM CS[C@@H](C)CC(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001599782678 992386032 /nfs/dbraw/zinc/38/60/32/992386032.db2.gz IFILVCNZEQUHFC-JVXZTZIISA-N -1 0 337.224 3.804 20 0 EHADRM CC(C)COC(=O)Nc1cccc(NCc2c[nH]c(C(=O)[O-])c2)c1 ZINC001591384609 992432910 /nfs/dbraw/zinc/43/29/10/992432910.db2.gz JKFYXRJXLHNINH-UHFFFAOYSA-N -1 0 331.372 3.530 20 0 EHADRM CC(C)COC1CN(Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)C1 ZINC001591390587 992444862 /nfs/dbraw/zinc/44/48/62/992444862.db2.gz HLJFFPXDOQNZQD-UHFFFAOYSA-N -1 0 329.396 3.502 20 0 EHADRM CC(C)COC1CN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC001591390574 992444873 /nfs/dbraw/zinc/44/48/73/992444873.db2.gz HEMQJFKRVUZDNE-UHFFFAOYSA-N -1 0 329.396 3.502 20 0 EHADRM CN(CCc1cccc2ccccc21)C(=O)c1ccccc1C(=O)[O-] ZINC001598502510 992453343 /nfs/dbraw/zinc/45/33/43/992453343.db2.gz YYFQPVHFCMBNCR-UHFFFAOYSA-N -1 0 333.387 3.853 20 0 EHADRM CC(C)COc1ccc(C(=O)N(CC(C)C)C(C)(C)C(=O)[O-])cc1 ZINC001591396788 992461257 /nfs/dbraw/zinc/46/12/57/992461257.db2.gz QGXLUZFWDIZTLT-UHFFFAOYSA-N -1 0 335.444 3.683 20 0 EHADRM CC(C)COc1ccccc1CNC(=O)Nc1cc(C(=O)[O-])cs1 ZINC001591410365 992488141 /nfs/dbraw/zinc/48/81/41/992488141.db2.gz XTGUURFGPQRJQJ-UHFFFAOYSA-N -1 0 348.424 3.803 20 0 EHADRM CC(C)CSCCCNC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001591416248 992496602 /nfs/dbraw/zinc/49/66/02/992496602.db2.gz SVWVOKPCNXLNOK-UHFFFAOYSA-N -1 0 349.456 3.767 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)Cc1coc(-c2c(F)cccc2F)n1 ZINC001591432099 992526963 /nfs/dbraw/zinc/52/69/63/992526963.db2.gz QXUCIWPPHVYGHW-AWEZNQCLSA-N -1 0 338.354 3.551 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)Nc1ccc2ccccc2n1 ZINC001598512182 992575868 /nfs/dbraw/zinc/57/58/68/992575868.db2.gz ASFOTYVAFOCJPI-UHFFFAOYSA-N -1 0 335.363 3.597 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)Nc2ncc(C(=O)[O-])s2)c1 ZINC001591488891 992617971 /nfs/dbraw/zinc/61/79/71/992617971.db2.gz JNUOZPSSYARLHC-NSHDSACASA-N -1 0 332.425 3.782 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)N[C@H](C(=O)[O-])c2cccs2)c1 ZINC001591488921 992618087 /nfs/dbraw/zinc/61/80/87/992618087.db2.gz KNCWWQWZHWSTSX-GUYCJALGSA-N -1 0 345.464 3.992 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])c1 ZINC001591489359 992619728 /nfs/dbraw/zinc/61/97/28/992619728.db2.gz QMDMZBTVOARJAP-YOEHRIQHSA-N -1 0 333.472 3.994 20 0 EHADRM CC(C)Cc1ncc(C(=O)Nc2c(F)ccc(F)c2C(=O)[O-])s1 ZINC001591497069 992631940 /nfs/dbraw/zinc/63/19/40/992631940.db2.gz UGARONDNESXILF-UHFFFAOYSA-N -1 0 340.351 3.570 20 0 EHADRM CC(C)N(C(=O)c1ccc(OCC(=O)[O-])cc1)[C@@H](C)c1ccsc1 ZINC001591542035 992720509 /nfs/dbraw/zinc/72/05/09/992720509.db2.gz BERJIQJDQLWICR-ZDUSSCGKSA-N -1 0 347.436 3.823 20 0 EHADRM CN(Cc1cccc(F)n1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598525982 992721605 /nfs/dbraw/zinc/72/16/05/992721605.db2.gz AYKPYRLCTKRTEA-AWEZNQCLSA-N -1 0 343.185 3.785 20 0 EHADRM CN(Cc1cccc2ccccc21)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001598527092 992733367 /nfs/dbraw/zinc/73/33/67/992733367.db2.gz RCKTUZJZITZFPJ-UHFFFAOYSA-N -1 0 333.387 3.739 20 0 EHADRM CN(Cc1cccn1C(F)F)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598531115 992781199 /nfs/dbraw/zinc/78/11/99/992781199.db2.gz UXAVMECDVMCJBF-ZDUSSCGKSA-N -1 0 348.271 3.558 20 0 EHADRM CN(Cc1cccn1C(F)F)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598531114 992781758 /nfs/dbraw/zinc/78/17/58/992781758.db2.gz UXAVMECDVMCJBF-CYBMUJFWSA-N -1 0 348.271 3.558 20 0 EHADRM CC(C)N1CCC[C@H]1C(=O)Nc1cc(C(=O)[O-])cc(Cl)c1Cl ZINC001591629727 992924001 /nfs/dbraw/zinc/92/40/01/992924001.db2.gz RLFOWOBRZNPTPY-LBPRGKRZSA-N -1 0 345.226 3.503 20 0 EHADRM CC(C)NC(=O)N(C)c1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC001591647504 992970326 /nfs/dbraw/zinc/97/03/26/992970326.db2.gz QVHRTQURNLTCOT-UHFFFAOYSA-N -1 0 342.395 3.518 20 0 EHADRM CN1CCCN(Cc2ccc(C(=O)[O-])c(F)c2)c2ccc(F)cc21 ZINC001598601577 993576790 /nfs/dbraw/zinc/57/67/90/993576790.db2.gz UIUKZRKYVFOLBV-UHFFFAOYSA-N -1 0 332.350 3.510 20 0 EHADRM COc1ccc(NC(=O)CCc2ccc(C(F)F)cc2)c(C(=O)[O-])c1 ZINC001599591409 993688401 /nfs/dbraw/zinc/68/84/01/993688401.db2.gz XQUJVXFJLUAEJW-UHFFFAOYSA-N -1 0 349.333 3.902 20 0 EHADRM COc1ccc(NC(=O)c2cc3c(cccc3C)o2)c(C(=O)[O-])c1 ZINC001599593602 993720506 /nfs/dbraw/zinc/72/05/06/993720506.db2.gz GOTTXZKJOBNICA-UHFFFAOYSA-N -1 0 325.320 3.700 20 0 EHADRM COc1ccc(N[C@H](Cc2ccc(C)cc2)C(=O)[O-])cc1OC(C)C ZINC001599599298 993792525 /nfs/dbraw/zinc/79/25/25/993792525.db2.gz PFZLPYMKLWBXMC-QGZVFWFLSA-N -1 0 343.423 3.899 20 0 EHADRM COc1ccc(OC(=O)c2cc(C)c(C(=O)[O-])o2)c(C(C)(C)C)c1 ZINC001599600369 993807069 /nfs/dbraw/zinc/80/70/69/993807069.db2.gz INFZYYXUKGVVAS-UHFFFAOYSA-N -1 0 332.352 3.812 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccc2ncsc2c1 ZINC001593155526 993968759 /nfs/dbraw/zinc/96/87/59/993968759.db2.gz DNQKDGWCVHSOCN-SECBINFHSA-N -1 0 344.367 3.625 20 0 EHADRM CCCCN(CC)C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000547752205 1015830989 /nfs/dbraw/zinc/83/09/89/1015830989.db2.gz OYUSZDPTPAUSKZ-UHFFFAOYSA-N -1 0 329.444 3.964 20 0 EHADRM COc1ccc2c(c1)[C@@H](c1nc(-c3cccc(C(=O)[O-])c3)no1)CC2 ZINC001599624705 994131824 /nfs/dbraw/zinc/13/18/24/994131824.db2.gz JNLISPZFBDBEGR-HNNXBMFYSA-N -1 0 336.347 3.522 20 0 EHADRM COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1ccc(C(=O)[O-])s1 ZINC001599628367 994180879 /nfs/dbraw/zinc/18/08/79/994180879.db2.gz JZZWAOOVWOBIIQ-LBPRGKRZSA-N -1 0 345.420 3.904 20 0 EHADRM C[C@@H](N[C@H](C)c1ccc(OCC(=O)[O-])cc1)c1ncc(C(C)(C)C)o1 ZINC001593203469 994187160 /nfs/dbraw/zinc/18/71/60/994187160.db2.gz FAYHYNWOLXHIQK-CHWSQXEVSA-N -1 0 346.427 3.847 20 0 EHADRM CN=[S@](C)(=O)c1cccc(NCc2cc(C(=O)[O-])c(C(C)C)[nH]2)c1 ZINC001598633112 994202481 /nfs/dbraw/zinc/20/24/81/994202481.db2.gz MNANCPXOTZIGGZ-XMMPIXPASA-N -1 0 349.456 3.535 20 0 EHADRM COc1ccc2cc(CN[C@@H](C)c3ncc(C(=O)[O-])s3)ccc2c1 ZINC001599634488 994266856 /nfs/dbraw/zinc/26/68/56/994266856.db2.gz OJTSXILVLBABHH-NSHDSACASA-N -1 0 342.420 3.854 20 0 EHADRM COc1ccc2ccc(OC(=O)/C=C/c3cc(C(=O)[O-])co3)cc2c1 ZINC001599635613 994283094 /nfs/dbraw/zinc/28/30/94/994283094.db2.gz AYDAPFMTKXCWMI-VOTSOKGWSA-N -1 0 338.315 3.758 20 0 EHADRM COc1ccc2sc(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)c(C)c2c1 ZINC001599638442 994322839 /nfs/dbraw/zinc/32/28/39/994322839.db2.gz OKEOTLSJBCAQNY-AWEZNQCLSA-N -1 0 349.452 3.838 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)CCCc1ccc(C)cc1 ZINC001599644222 994402191 /nfs/dbraw/zinc/40/21/91/994402191.db2.gz LSBQWOUYBWRMHG-UHFFFAOYSA-N -1 0 328.364 3.630 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)CC[C@@H](C)c1ccccc1 ZINC001599645224 994415891 /nfs/dbraw/zinc/41/58/91/994415891.db2.gz HQRHLPVFQCYNEA-CQSZACIVSA-N -1 0 341.407 3.940 20 0 EHADRM C[C@H](NCC(F)(F)c1ccccc1)c1ccccc1OCC(=O)[O-] ZINC001593246867 994459232 /nfs/dbraw/zinc/45/92/32/994459232.db2.gz OSYXTWMYRQZZTA-ZDUSSCGKSA-N -1 0 335.350 3.593 20 0 EHADRM COc1cccc(/C(C)=C\C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c1 ZINC001599654101 994551397 /nfs/dbraw/zinc/55/13/97/994551397.db2.gz FZXOZDBLUMQROX-QLKUMGTLSA-N -1 0 339.391 3.925 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)N(CC(=O)[O-])CC(C)C)c1 ZINC001599655693 994575724 /nfs/dbraw/zinc/57/57/24/994575724.db2.gz XEVJZZRAVIOJNZ-OAHLLOKOSA-N -1 0 335.444 3.538 20 0 EHADRM COc1cccc(C(F)F)c1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001599656693 994593028 /nfs/dbraw/zinc/59/30/28/994593028.db2.gz JUMZXOFWOVSYLS-UHFFFAOYSA-N -1 0 339.269 3.722 20 0 EHADRM COc1cccc([C@H](C)NC(=O)Nc2c(C)sc(C)c2C(=O)[O-])c1 ZINC001599656901 994596098 /nfs/dbraw/zinc/59/60/98/994596098.db2.gz HXXVDAQLBSXYDP-VIFPVBQESA-N -1 0 348.424 3.954 20 0 EHADRM COc1cccc([C@H]2CCCN2C(=O)NCCCCCCC(=O)[O-])c1 ZINC001599665674 994726743 /nfs/dbraw/zinc/72/67/43/994726743.db2.gz NDCJDHGERBCPIK-QGZVFWFLSA-N -1 0 348.443 3.577 20 0 EHADRM COc1cccc([C@H]2C[C@H]2C(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001599667230 994750794 /nfs/dbraw/zinc/75/07/94/994750794.db2.gz YKUSAQXEXRFHHP-HUUCEWRRSA-N -1 0 346.766 3.756 20 0 EHADRM Cc1cc(C)c(CCNC(=O)c2cc(F)c(F)c([O-])c2F)c(C)c1 ZINC000180185833 1015890430 /nfs/dbraw/zinc/89/04/30/1015890430.db2.gz JUPNEMBKTVHOFD-UHFFFAOYSA-N -1 0 337.341 3.707 20 0 EHADRM C[C@@H](Nc1cnc(C(=O)[O-])cn1)[C@@H](C)c1ccccc1C(F)(F)F ZINC001593368406 995063173 /nfs/dbraw/zinc/06/31/73/995063173.db2.gz XTVNMPLKUUCGJA-NXEZZACHSA-N -1 0 339.317 3.798 20 0 EHADRM O=C([O-])CCN(C(=O)c1ccc(-c2ccc(F)cc2)s1)C1CC1 ZINC000238054879 1015926851 /nfs/dbraw/zinc/92/68/51/1015926851.db2.gz OKPLYNHAJBJSBS-UHFFFAOYSA-N -1 0 333.384 3.634 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCc1ccccc1)c1ccc(Cl)c(F)c1 ZINC000238115588 1015937868 /nfs/dbraw/zinc/93/78/68/1015937868.db2.gz LSJUIBSYTFYRKU-MRXNPFEDSA-N -1 0 349.789 3.744 20 0 EHADRM COC(=O)[C@@H](Nc1ccc(F)c(Cl)c1)c1cccc(C(=O)[O-])c1 ZINC001598714949 995393481 /nfs/dbraw/zinc/39/34/81/995393481.db2.gz WHHZQQKXLCUZNS-AWEZNQCLSA-N -1 0 337.734 3.504 20 0 EHADRM C[C@@H](OC(=O)[C@@H](C)c1cn(C)c2ccccc12)c1cc(C(=O)[O-])co1 ZINC001593484760 995444361 /nfs/dbraw/zinc/44/43/61/995444361.db2.gz LOESHQOHJUOZER-NWDGAFQWSA-N -1 0 341.363 3.877 20 0 EHADRM C[C@@H](OC(=O)C1CC(c2ccc(F)cc2)C1)c1cc(C(=O)[O-])co1 ZINC001593500514 995498366 /nfs/dbraw/zinc/49/83/66/995498366.db2.gz NRQPDWWKSSPBTA-QFWMXSHPSA-N -1 0 332.327 3.915 20 0 EHADRM C[C@H](OC(=O)CC1CCC(C(F)(F)F)CC1)c1nc(C(=O)[O-])co1 ZINC001593513262 995522256 /nfs/dbraw/zinc/52/22/56/995522256.db2.gz CDVNLYKQYTZBIG-IDKOKCKLSA-N -1 0 349.305 3.736 20 0 EHADRM C[C@H](OC(=O)CCOc1cccc(Cl)c1)c1ccc(C(=O)[O-])o1 ZINC001593524182 995561000 /nfs/dbraw/zinc/56/10/00/995561000.db2.gz DQNYPGQIZCPKNW-JTQLQIEISA-N -1 0 338.743 3.705 20 0 EHADRM C[C@H](OC(=O)Cc1cc(Cl)cc(Cl)c1)c1nc(C(=O)[O-])co1 ZINC001593535277 995595451 /nfs/dbraw/zinc/59/54/51/995595451.db2.gz PSVQHWQHJFKCME-ZETCQYMHSA-N -1 0 344.150 3.527 20 0 EHADRM C[C@H](OC(=O)Cc1c[nH]c2cccc(Cl)c12)c1cc(C(=O)[O-])co1 ZINC001593535756 995598773 /nfs/dbraw/zinc/59/87/73/995598773.db2.gz ZVPJXHKGGCMQRJ-VIFPVBQESA-N -1 0 347.754 3.959 20 0 EHADRM C[C@H](OC(=O)c1ccc(-c2ccc(C(=O)[O-])cc2)cc1)C(=O)C1CC1 ZINC001593572414 995666954 /nfs/dbraw/zinc/66/69/54/995666954.db2.gz BQXXRIMVVODYMS-LBPRGKRZSA-N -1 0 338.359 3.576 20 0 EHADRM CC(C)[C@H]1CCCCN1C(=O)c1cccc(Br)c1[O-] ZINC000536689403 1032133730 /nfs/dbraw/zinc/13/37/30/1032133730.db2.gz ONRHFASOPICQBW-CYBMUJFWSA-N -1 0 326.234 3.805 20 0 EHADRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])s1)c1nccn1-c1ccccc1 ZINC001593579022 995692685 /nfs/dbraw/zinc/69/26/85/995692685.db2.gz RITOZCXTEASKKF-LLVKDONJSA-N -1 0 342.376 3.550 20 0 EHADRM C[C@H](OC(=O)c1cscc1C(=O)[O-])C(=O)c1cccc(Cl)c1 ZINC001593599421 995746979 /nfs/dbraw/zinc/74/69/79/995746979.db2.gz GZASFLDVINBZHS-QMMMGPOBSA-N -1 0 338.768 3.528 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)c2ccsc2Cl)cc1F)C(=O)[O-] ZINC001593634200 995925044 /nfs/dbraw/zinc/92/50/44/995925044.db2.gz NNAXPVBRIXZYSD-ZETCQYMHSA-N -1 0 343.763 3.645 20 0 EHADRM C[C@@H](Oc1ccccc1F)c1nnc(CC2(CC(=O)[O-])CCCC2)o1 ZINC001593652035 996015720 /nfs/dbraw/zinc/01/57/20/996015720.db2.gz WPGVRAUCEBRWIF-GFCCVEGCSA-N -1 0 348.374 3.926 20 0 EHADRM C[C@](CC(=O)NC12CC3CC(CC(C3)C1)C2)(C(=O)[O-])c1ccccc1 ZINC000327285943 1015996788 /nfs/dbraw/zinc/99/67/88/1015996788.db2.gz KZFWTAKCNNNYIC-IBOPUYJASA-N -1 0 341.451 3.504 20 0 EHADRM CC(C)[C@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1ccccc1C(F)(F)F ZINC001593659455 996035185 /nfs/dbraw/zinc/03/51/85/996035185.db2.gz TVAQEBGUJRBQOB-CABZTGNLSA-N -1 0 349.374 3.875 20 0 EHADRM C[C@H](SCc1ccc(C(=O)[O-])cc1)C(=O)N(C)C1CCCCC1 ZINC001593661730 996039242 /nfs/dbraw/zinc/03/92/42/996039242.db2.gz NABHUDHDUFVXMN-ZDUSSCGKSA-N -1 0 335.469 3.798 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ncc(C(=O)[O-])s1 ZINC001593664064 996048453 /nfs/dbraw/zinc/04/84/53/996048453.db2.gz FMANBHWFEQPNMH-ZETCQYMHSA-N -1 0 342.829 3.614 20 0 EHADRM CCc1cc(C(=O)N2CC[C@H](C(=O)[O-])C2)sc1-c1ccccc1 ZINC000655534329 1015998826 /nfs/dbraw/zinc/99/88/26/1015998826.db2.gz GHTPLSYDDQCUDV-AWEZNQCLSA-N -1 0 329.421 3.524 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)OCc1cccc(F)c1)C(=O)[O-] ZINC001593673482 996084760 /nfs/dbraw/zinc/08/47/60/996084760.db2.gz LMKYQWADONKIHO-LLVKDONJSA-N -1 0 334.368 3.748 20 0 EHADRM C[C@@H](c1nc(-c2ccc(C(=O)[O-])cc2)no1)c1ccc(F)c(F)c1 ZINC001593694610 996152102 /nfs/dbraw/zinc/15/21/02/996152102.db2.gz ZPINLZWNDUOCIB-SECBINFHSA-N -1 0 330.290 3.865 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000683302559 1016015357 /nfs/dbraw/zinc/01/53/57/1016015357.db2.gz DSKUMLCQSIEWAC-DLBZAZTESA-N -1 0 331.456 3.795 20 0 EHADRM Cc1ccc(CCCC(=O)[N-]S(=O)(=O)c2ccc(F)cc2)s1 ZINC000080378155 1016019627 /nfs/dbraw/zinc/01/96/27/1016019627.db2.gz BBKAQNKFOQWITA-UHFFFAOYSA-N -1 0 341.429 3.864 20 0 EHADRM C[C@@H](c1ncc(C(=O)[O-])s1)N1Cc2ccccc2OC2(CCC2)C1 ZINC001593737348 996334840 /nfs/dbraw/zinc/33/48/40/996334840.db2.gz NFJQIGKBZZWVNL-LBPRGKRZSA-N -1 0 344.436 3.720 20 0 EHADRM C[C@H](CC(=O)N(CCC(=O)[O-])CC1CC1)Cc1ccc(Cl)cc1 ZINC000683304414 1016025385 /nfs/dbraw/zinc/02/53/85/1016025385.db2.gz KKXRSQXURGZADU-ZDUSSCGKSA-N -1 0 337.847 3.622 20 0 EHADRM C[C@]1(C(=O)N2CCc3cccc(C(=O)[O-])c3C2)CCCc2ccccc21 ZINC001593748221 996378176 /nfs/dbraw/zinc/37/81/76/996378176.db2.gz JMBUQBQNHDEZTR-QFIPXVFZSA-N -1 0 349.430 3.564 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)Nc2ccc(F)cc2C(F)(F)F)C1 ZINC001593771742 996466709 /nfs/dbraw/zinc/46/67/09/996466709.db2.gz XMZHYRPFPTZSAS-AWEZNQCLSA-N -1 0 348.296 3.563 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2cccc(Nc3ccccc3)c2)C1 ZINC001593772741 996468807 /nfs/dbraw/zinc/46/88/07/996468807.db2.gz JDYOWCIFNXEUAE-HXUWFJFHSA-N -1 0 338.407 3.757 20 0 EHADRM CC[C@@H](C)[C@H](C)N(C(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C1CC1 ZINC000180756260 1016038437 /nfs/dbraw/zinc/03/84/37/1016038437.db2.gz GPBZDLDMDBDGSU-OLZOCXBDSA-N -1 0 345.418 3.756 20 0 EHADRM COC(=O)C[C@@H]1CC[C@H](Nc2ccc3sc(C(=O)[O-])cc3c2)[C@@H]1C ZINC001598846843 996573068 /nfs/dbraw/zinc/57/30/68/996573068.db2.gz JLSUVDZBBLEZIN-SUNKGSAMSA-N -1 0 347.436 3.989 20 0 EHADRM CC1(C)CC(C)(C)c2cc(NC(=O)NCC3(C(=O)[O-])CC3)ccc21 ZINC001593848116 996617941 /nfs/dbraw/zinc/61/79/41/996617941.db2.gz JEJKWLPWGZZMFC-UHFFFAOYSA-N -1 0 330.428 3.632 20 0 EHADRM CC1(C)CC(CNC(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)C1 ZINC001593853438 996631925 /nfs/dbraw/zinc/63/19/25/996631925.db2.gz LSAGNACLRDECOM-UHFFFAOYSA-N -1 0 328.771 3.735 20 0 EHADRM CC1(C)C[C@@H](c2ccccc2)N(C(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC001593863071 996661709 /nfs/dbraw/zinc/66/17/09/996661709.db2.gz BROJGZNOMVECIC-INIZCTEOSA-N -1 0 339.395 3.785 20 0 EHADRM CC1(C)C[C@H](c2ccccc2)CN1C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001593863084 996662180 /nfs/dbraw/zinc/66/21/80/996662180.db2.gz CBPBBLXFRRFFIK-KLQCNHIUSA-N -1 0 339.391 3.786 20 0 EHADRM CC1(C)C[C@@H](c2ccccc2)CN1C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001593863086 996662410 /nfs/dbraw/zinc/66/24/10/996662410.db2.gz CBPBBLXFRRFFIK-ZHUYAKLQSA-N -1 0 339.391 3.786 20 0 EHADRM CC1(C)C[C@H](c2ccccc2)N(C(=O)/C=C\c2cc(C(=O)[O-])co2)C1 ZINC001593863601 996663978 /nfs/dbraw/zinc/66/39/78/996663978.db2.gz KWJSWXDDNSGKGX-XZVRFQMRSA-N -1 0 339.391 3.991 20 0 EHADRM CC1(C)CC[C@@H](C(=O)N[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)C1 ZINC001593870555 996680749 /nfs/dbraw/zinc/68/07/49/996680749.db2.gz GIAUGAQUNHJPOH-DGCLKSJQSA-N -1 0 343.345 3.774 20 0 EHADRM CC1(C)CCC(=CC(=O)Nc2cc(CCC(=O)[O-])ccc2O)CC1 ZINC001593871604 996684712 /nfs/dbraw/zinc/68/47/12/996684712.db2.gz ZYVPRPNWDRORSQ-UHFFFAOYSA-N -1 0 331.412 3.875 20 0 EHADRM CC1(C)CCC(CNC(=O)Cn2cc(C(=O)[O-])c3ccccc32)CC1 ZINC001593878659 996705161 /nfs/dbraw/zinc/70/51/61/996705161.db2.gz WREIVYCMWDDJRK-UHFFFAOYSA-N -1 0 342.439 3.672 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)[C@H](c2ccccc2)C1 ZINC001593882010 996712288 /nfs/dbraw/zinc/71/22/88/996712288.db2.gz KLNKLLKTHGDLLV-XWTMOSNGSA-N -1 0 343.467 3.966 20 0 EHADRM CC1(C)CC[C@H](NC(=O)Nc2ccc(C(=O)[O-])nc2)c2ccccc21 ZINC001593882021 996712740 /nfs/dbraw/zinc/71/27/40/996712740.db2.gz KUTNOQBCZZWEOW-HNNXBMFYSA-N -1 0 339.395 3.714 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])c2ccccc21 ZINC001593882592 996714355 /nfs/dbraw/zinc/71/43/55/996714355.db2.gz ZDERKXIZDDIBNL-IAOVAPTHSA-N -1 0 344.455 3.742 20 0 EHADRM CC1(C)CCC[C@](NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)C2)(C(=O)[O-])C1 ZINC001593892514 996741507 /nfs/dbraw/zinc/74/15/07/996741507.db2.gz SSINNUIXDHZETN-UEKVPHQBSA-N -1 0 335.366 3.505 20 0 EHADRM CC1(C)CCC[C@@](O)(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)C1 ZINC001593899325 996763569 /nfs/dbraw/zinc/76/35/69/996763569.db2.gz JBGMWWVYLNQCKJ-FQEVSTJZSA-N -1 0 341.407 3.808 20 0 EHADRM CC1(C)CCN(C(=O)c2ccc(C(=O)[O-])c(F)c2)c2ccccc21 ZINC001593912256 996809686 /nfs/dbraw/zinc/80/96/86/996809686.db2.gz XQHQQAWJUAZRNB-UHFFFAOYSA-N -1 0 327.355 3.852 20 0 EHADRM CC1(C)CN(C(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)Cc2ccccc21 ZINC001593926365 996856805 /nfs/dbraw/zinc/85/68/05/996856805.db2.gz CMIRMVYNYCPKQL-GCJKJVERSA-N -1 0 349.430 3.565 20 0 EHADRM CC1(C)CN(C(=O)CC2(CC(=O)[O-])CCCC2)c2ccccc2O1 ZINC001593928710 996876956 /nfs/dbraw/zinc/87/69/56/996876956.db2.gz NHNHMZPCUNYQOE-UHFFFAOYSA-N -1 0 331.412 3.616 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)CC[C@@H]2CCc3ccccc32)c1 ZINC001599488267 996891540 /nfs/dbraw/zinc/89/15/40/996891540.db2.gz XDWBAHLWIVZJKD-AWEZNQCLSA-N -1 0 339.391 3.842 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)CCCc2ccc(F)cc2)c1F ZINC001599488398 996894320 /nfs/dbraw/zinc/89/43/20/996894320.db2.gz XXUASXMAQUXVJP-UHFFFAOYSA-N -1 0 349.333 3.633 20 0 EHADRM CC1(C)CN(C(=O)c2cc(F)cc(C(=O)[O-])c2)[C@@H]1c1ccccc1 ZINC001593936865 996923648 /nfs/dbraw/zinc/92/36/48/996923648.db2.gz ZHGBBRTVZHXKDJ-MRXNPFEDSA-N -1 0 327.355 3.747 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@H](C)Cc2ccc(C)cc2)c1 ZINC001599490509 996929483 /nfs/dbraw/zinc/92/94/83/996929483.db2.gz WFAWZXZUBIWWJD-CYBMUJFWSA-N -1 0 327.380 3.519 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2ccc3nccc(C)c3c2)c1 ZINC001599490606 996932581 /nfs/dbraw/zinc/93/25/81/996932581.db2.gz UOYWEOBYDUFTSV-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM COCc1cc(NC(=O)Cc2cccc(C(F)F)c2)cc(C(=O)[O-])c1 ZINC001599283564 996934624 /nfs/dbraw/zinc/93/46/24/996934624.db2.gz OTSFVTOORIBQQF-UHFFFAOYSA-N -1 0 349.333 3.650 20 0 EHADRM COc1ccc(C(=O)[O-])c2c1CN(C(=O)[C@@H](C)[C@@H](C)C(C)(C)C)CC2 ZINC001599496551 997028149 /nfs/dbraw/zinc/02/81/49/997028149.db2.gz GEVVASGYRKEURS-QWHCGFSZSA-N -1 0 347.455 3.596 20 0 EHADRM COc1cc(C)c([C@H](C)OC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1C ZINC001599390649 997029413 /nfs/dbraw/zinc/02/94/13/997029413.db2.gz HWDKZOITXMAFBR-KKUMJFAQSA-N -1 0 334.412 3.807 20 0 EHADRM COCc1cc(NCc2ccccc2OC(F)F)cc(C(=O)[O-])c1 ZINC001599289907 997046807 /nfs/dbraw/zinc/04/68/07/997046807.db2.gz QJPPLHAWHRATPH-UHFFFAOYSA-N -1 0 337.322 3.745 20 0 EHADRM COCc1cc(NCc2cc(-c3ccccc3)no2)cc(C(=O)[O-])c1 ZINC001599290001 997048351 /nfs/dbraw/zinc/04/83/51/997048351.db2.gz WJHPLURORKUDHW-UHFFFAOYSA-N -1 0 338.363 3.798 20 0 EHADRM COc1cc(C)c(NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1C ZINC001599393354 997080246 /nfs/dbraw/zinc/08/02/46/997080246.db2.gz LZHYCUYFOZJGIT-UHFFFAOYSA-N -1 0 332.331 3.793 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1ccsc1Cl ZINC001599398304 997168998 /nfs/dbraw/zinc/16/89/98/997168998.db2.gz JBVUOXGYQPNUKW-HWKANZROSA-N -1 0 338.768 3.727 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)/C=C(\C)c1cccs1 ZINC001599398347 997170192 /nfs/dbraw/zinc/17/01/92/997170192.db2.gz ZKAFXSDARZNBQP-DEOFSOSHSA-N -1 0 344.388 3.863 20 0 EHADRM COc1ccc(C(=O)OCC2(CC(=O)[O-])CC2)cc1-c1ccccc1 ZINC001599504713 997192297 /nfs/dbraw/zinc/19/22/97/997192297.db2.gz HIPDBCFBKSNDJX-UHFFFAOYSA-N -1 0 340.375 3.774 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1Oc1ncnc2scc(C)c21 ZINC001599400529 997206592 /nfs/dbraw/zinc/20/65/92/997206592.db2.gz OCASPZXYCXMLKN-GQCTYLIASA-N -1 0 342.376 3.898 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1Oc1nc(C(C)(C)C)ns1 ZINC001599401075 997216484 /nfs/dbraw/zinc/21/64/84/997216484.db2.gz VUOOYPBQWZYPOX-VURMDHGXSA-N -1 0 334.397 3.734 20 0 EHADRM COc1cc(CC(=O)[O-])ccc1-c1ccc(C(F)(F)F)cc1CO ZINC001599402032 997230257 /nfs/dbraw/zinc/23/02/57/997230257.db2.gz NHXYZDMEWQRKCP-UHFFFAOYSA-N -1 0 340.297 3.500 20 0 EHADRM COc1ccc([C@H](C)N(C)C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC001599507405 997235034 /nfs/dbraw/zinc/23/50/34/997235034.db2.gz MNADUKKRJQUXPY-ZDUSSCGKSA-N -1 0 342.395 3.547 20 0 EHADRM COc1ccc([C@H](C)COc2ccc(/C=C/C(=O)[O-])cc2OC)cc1 ZINC001599507731 997240539 /nfs/dbraw/zinc/24/05/39/997240539.db2.gz YHFLHCLQGXERII-RKXVYHDYSA-N -1 0 342.391 3.984 20 0 EHADRM COc1ccc([C@@H](C)OC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1Cl ZINC001599508218 997249138 /nfs/dbraw/zinc/24/91/38/997249138.db2.gz MEDZFKXGEJXFHM-IJLUTSLNSA-N -1 0 340.803 3.844 20 0 EHADRM COc1cc(CN(C)Cc2cc(C(=O)[O-])ccc2F)ccc1SC ZINC001599405268 997285796 /nfs/dbraw/zinc/28/57/96/997285796.db2.gz QWEXFNVWMNZYKH-UHFFFAOYSA-N -1 0 349.427 3.886 20 0 EHADRM CC1(CC(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)CCCC1 ZINC001593997507 997314546 /nfs/dbraw/zinc/31/45/46/997314546.db2.gz ADEADTBTEWZJEY-UHFFFAOYSA-N -1 0 327.327 3.895 20 0 EHADRM C[C@]1(CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)CC1(Cl)Cl ZINC001593998532 997328982 /nfs/dbraw/zinc/32/89/82/997328982.db2.gz RZIQMISDPYCQDM-ZDUSSCGKSA-N -1 0 348.251 3.848 20 0 EHADRM C[C@@]1(CCNC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CC1(F)F ZINC001594007661 997429775 /nfs/dbraw/zinc/42/97/75/997429775.db2.gz LXGCNIDGGOHQSD-CYBMUJFWSA-N -1 0 332.734 3.595 20 0 EHADRM CC1(CNC(=O)NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)CCCC1 ZINC001594019936 997522460 /nfs/dbraw/zinc/52/24/60/997522460.db2.gz MZIAHIYDSQITEY-MRXNPFEDSA-N -1 0 344.455 3.684 20 0 EHADRM CON(C[C@H]1CCC[C@H](C)C1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001599317506 997526535 /nfs/dbraw/zinc/52/65/35/997526535.db2.gz NVKMRQBIIQSYRP-RYUDHWBXSA-N -1 0 338.379 3.746 20 0 EHADRM CON(C[C@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001599317545 997526688 /nfs/dbraw/zinc/52/66/88/997526688.db2.gz OTOBGLISUDRQAS-RYUDHWBXSA-N -1 0 338.379 3.746 20 0 EHADRM COc1cc(Cl)c(-c2csc(CCCC(=O)[O-])n2)cc1OC ZINC001599417855 997541547 /nfs/dbraw/zinc/54/15/47/997541547.db2.gz FQZDXGHTHXPLJM-UHFFFAOYSA-N -1 0 341.816 3.888 20 0 EHADRM COc1cc(CNc2nc(Cl)nc3ccccc32)ccc1C(=O)[O-] ZINC001599418744 997555864 /nfs/dbraw/zinc/55/58/64/997555864.db2.gz QHDVADCIJWUXEL-UHFFFAOYSA-N -1 0 343.770 3.602 20 0 EHADRM COc1cc(Cl)c(Cl)cc1N[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]12 ZINC001599419347 997566371 /nfs/dbraw/zinc/56/63/71/997566371.db2.gz FDGIXZOOPJDIOF-FNOROQBZSA-N -1 0 330.211 3.913 20 0 EHADRM COc1cc(Cl)c(NC(=O)c2ccc(/C=C\C(=O)[O-])o2)cc1C ZINC001599419575 997569889 /nfs/dbraw/zinc/56/98/89/997569889.db2.gz BOWCAFGPKFBIJN-XQRVVYSFSA-N -1 0 335.743 3.600 20 0 EHADRM CO[C@H]1CCC[C@H](CC(=O)Nc2cccc(Cl)c2C(=O)[O-])C1 ZINC001599112059 997587870 /nfs/dbraw/zinc/58/78/70/997587870.db2.gz JABAPHIZLSHJMC-QWRGUYRKSA-N -1 0 325.792 3.572 20 0 EHADRM COCC[C@H](OC(=O)c1cc(C(=O)[O-])ccc1Cl)C(C)(C)C ZINC001599216565 997592732 /nfs/dbraw/zinc/59/27/32/997592732.db2.gz ADBFVLBADPLXCL-ZDUSSCGKSA-N -1 0 328.792 3.646 20 0 EHADRM COc1cc(Cl)ccc1C(=O)N[C@@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC001599421074 997596272 /nfs/dbraw/zinc/59/62/72/997596272.db2.gz ZTKSWKSJRNWTIR-MRXNPFEDSA-N -1 0 347.798 3.521 20 0 EHADRM CO[C@H]1CCCC[C@@H]1NC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001599325371 997653968 /nfs/dbraw/zinc/65/39/68/997653968.db2.gz VXNZJNMLQMVGBU-IRXDYDNUSA-N -1 0 342.395 3.617 20 0 EHADRM COc1cc(F)c([C@H](C)N[C@H](C)c2cc(C(=O)[O-])co2)cc1OC ZINC001599425644 997669985 /nfs/dbraw/zinc/66/99/85/997669985.db2.gz MUGHSTWOQSOJRY-VHSXEESVSA-N -1 0 337.347 3.546 20 0 EHADRM COc1ccc([C@H](NCc2cc(C(=O)[O-])oc2C)c2ccco2)cc1 ZINC001599532564 997683163 /nfs/dbraw/zinc/68/31/63/997683163.db2.gz RPQWCQBYVRHTTI-SFHVURJKSA-N -1 0 341.363 3.767 20 0 EHADRM COc1cc(F)cc(C[C@H](C)Nc2ncc(C(=O)[O-])cc2Cl)c1 ZINC001599426507 997684956 /nfs/dbraw/zinc/68/49/56/997684956.db2.gz ROZQRLJNAZZNHQ-VIFPVBQESA-N -1 0 338.766 3.624 20 0 EHADRM COC(=O)c1cc(CN(C)[C@@H](C)c2ccccc2F)cc(C(=O)[O-])c1 ZINC001598928259 997692726 /nfs/dbraw/zinc/69/27/26/997692726.db2.gz NUKRTWSNTWOIHY-LBPRGKRZSA-N -1 0 345.370 3.504 20 0 EHADRM COc1c(C)cc(Cl)cc1NC(=O)c1ccccc1CCC(=O)[O-] ZINC001599331230 997752287 /nfs/dbraw/zinc/75/22/87/997752287.db2.gz JIWQDLRYVJLDCL-UHFFFAOYSA-N -1 0 347.798 3.927 20 0 EHADRM COCCC[C@@H](C)C(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001599226036 997760733 /nfs/dbraw/zinc/76/07/33/997760733.db2.gz XPFWGIJLQDVUIX-MFKMUULPSA-N -1 0 348.317 3.594 20 0 EHADRM COc1c(C)cc(C(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)cc1C ZINC001599331787 997761250 /nfs/dbraw/zinc/76/12/50/997761250.db2.gz SEWROCVFXAOTLV-UHFFFAOYSA-N -1 0 346.408 3.596 20 0 EHADRM C[C@]1(NC(=O)[C@@H]2CCC[C@H]2Cc2ccccc2)CCCC[C@@H]1C(=O)[O-] ZINC001594053037 997765341 /nfs/dbraw/zinc/76/53/41/997765341.db2.gz RXMQURSUVJLPBR-OOSNJVJTSA-N -1 0 343.467 3.795 20 0 EHADRM COC(=O)c1cc(CN2CCCCc3ccccc32)cc(C(=O)[O-])c1 ZINC001598933176 997810044 /nfs/dbraw/zinc/81/00/44/997810044.db2.gz RWWQTWQEGKOGSM-UHFFFAOYSA-N -1 0 339.391 3.514 20 0 EHADRM COc1cc(NC(=O)N(C)c2ccc3cc[nH]c3c2)ccc1C(=O)[O-] ZINC001599434283 997814344 /nfs/dbraw/zinc/81/43/44/997814344.db2.gz VWNHNUBIUGLLHU-UHFFFAOYSA-N -1 0 339.351 3.543 20 0 EHADRM COc1ccc(/C=C(\C)C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1F ZINC001599540956 997842070 /nfs/dbraw/zinc/84/20/70/997842070.db2.gz JWCCCAXSTFKKFU-JXMROGBWSA-N -1 0 347.317 3.714 20 0 EHADRM COc1c(NC(=O)CSc2ccc(C)cc2C)cccc1C(=O)[O-] ZINC001599337785 997867512 /nfs/dbraw/zinc/86/75/12/997867512.db2.gz BWNLAZNHQVPEJS-UHFFFAOYSA-N -1 0 345.420 3.741 20 0 EHADRM COc1cc(NC(=O)N[C@H](CC(=O)[O-])C2CCCC2)ccc1Cl ZINC001599437984 997882135 /nfs/dbraw/zinc/88/21/35/997882135.db2.gz SWNKLEMRVDHEFR-CYBMUJFWSA-N -1 0 340.807 3.504 20 0 EHADRM COc1cc(NC(=O)N[C@@H]2CCC[C@@H]2C(C)(C)C)ccc1C(=O)[O-] ZINC001599438092 997883948 /nfs/dbraw/zinc/88/39/48/997883948.db2.gz KBSXRCIQCCADRB-UONOGXRCSA-N -1 0 334.416 3.730 20 0 EHADRM COc1cc(NC(=O)NC[C@H](C(=O)[O-])C2CCCCC2)c(C)cc1C ZINC001599438132 997884629 /nfs/dbraw/zinc/88/46/29/997884629.db2.gz KOCDPKUSEGLHHD-HNNXBMFYSA-N -1 0 348.443 3.715 20 0 EHADRM COc1c(NC(=O)N[C@@H](C)c2ccc(F)cc2C)cccc1C(=O)[O-] ZINC001599339816 997902763 /nfs/dbraw/zinc/90/27/63/997902763.db2.gz XOBBLPMPYPWJFZ-NSHDSACASA-N -1 0 346.358 3.724 20 0 EHADRM COc1c(NC(=O)N2CC[C@@H]2c2ccc(F)cc2)cccc1C(=O)[O-] ZINC001599339870 997903791 /nfs/dbraw/zinc/90/37/91/997903791.db2.gz MHCTYZTUOANMSB-OAHLLOKOSA-N -1 0 344.342 3.511 20 0 EHADRM C[C@]1(c2ccc(F)cc2)CCN(C(=O)Nc2cc(C(=O)[O-])cs2)C1 ZINC001594071466 997908257 /nfs/dbraw/zinc/90/82/57/997908257.db2.gz CQWZMWVALOTXPJ-KRWDZBQOSA-N -1 0 348.399 3.781 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC[C@H]1CCC2(CCC2)CO1 ZINC001599545415 997914577 /nfs/dbraw/zinc/91/45/77/997914577.db2.gz FAWKQVLUCNVUCN-CSPWOOARSA-N -1 0 332.396 3.521 20 0 EHADRM COc1c(NC(=O)N[C@@H]2CCC[C@H]2C(C)(C)C)cccc1C(=O)[O-] ZINC001599341606 997932592 /nfs/dbraw/zinc/93/25/92/997932592.db2.gz SSPDZEGYHKUGBE-CHWSQXEVSA-N -1 0 334.416 3.730 20 0 EHADRM COc1cc(NC(=O)Nc2ccc(C3CC3)cc2)ccc1C(=O)[O-] ZINC001599441465 997936090 /nfs/dbraw/zinc/93/60/90/997936090.db2.gz VPZYKVWEIISVEM-UHFFFAOYSA-N -1 0 326.352 3.915 20 0 EHADRM COc1c(N[C@H]2CC[C@H](c3cccc(Cl)c3)C2)ncnc1C(=O)[O-] ZINC001599342516 997945666 /nfs/dbraw/zinc/94/56/66/997945666.db2.gz FROHUZBKWGYILW-AAEUAGOBSA-N -1 0 347.802 3.585 20 0 EHADRM COc1cc(N[C@H](C(=O)[O-])c2ccsc2)ccc1OC(F)F ZINC001599444670 997988344 /nfs/dbraw/zinc/98/83/44/997988344.db2.gz SOBZRCAJGXMXCQ-LBPRGKRZSA-N -1 0 329.324 3.596 20 0 EHADRM COc1cc(NCc2sccc2Br)ccc1C(=O)[O-] ZINC001599445075 997994195 /nfs/dbraw/zinc/99/41/95/997994195.db2.gz YRNSVPOAGGWIMH-UHFFFAOYSA-N -1 0 342.214 3.830 20 0 EHADRM COc1ccc(CCCC(=O)Oc2cc(Cl)ccc2C(=O)[O-])cc1 ZINC001599553878 998056331 /nfs/dbraw/zinc/05/63/31/998056331.db2.gz CMMXAGNGFZLNOR-UHFFFAOYSA-N -1 0 348.782 3.975 20 0 EHADRM COC(=O)c1cc(NC(=O)c2ccc(C(C)C)cc2)cc(C(=O)[O-])c1 ZINC001598948244 998096822 /nfs/dbraw/zinc/09/68/22/998096822.db2.gz WSCFKLOBZCQOCC-UHFFFAOYSA-N -1 0 341.363 3.547 20 0 EHADRM CC1=C(C(=O)[O-])C[C@H](COc2ccc(OCC3CC3)c(Cl)c2)O1 ZINC001594106269 998168200 /nfs/dbraw/zinc/16/82/00/998168200.db2.gz LSKKMFKBGCDFLE-CYBMUJFWSA-N -1 0 338.787 3.655 20 0 EHADRM COc1cc(OCc2cccc(F)c2OC(F)F)ccc1C(=O)[O-] ZINC001599456925 998203695 /nfs/dbraw/zinc/20/36/95/998203695.db2.gz ONGANFMMPQPBEK-UHFFFAOYSA-N -1 0 342.269 3.713 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N1c2ccccc2C[C@H](C)[C@@H]1C(=O)[O-] ZINC001594134357 998364265 /nfs/dbraw/zinc/36/42/65/998364265.db2.gz AUJZFPSVPMHQHV-TXGHUNKASA-N -1 0 349.430 3.715 20 0 EHADRM COCCOc1cccc(N[C@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC001599260533 998378052 /nfs/dbraw/zinc/37/80/52/998378052.db2.gz FOGUHRSASUKEBN-INIZCTEOSA-N -1 0 335.787 3.603 20 0 EHADRM COC[C@H](C)[C@@H](C)C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001599157728 998402309 /nfs/dbraw/zinc/40/23/09/998402309.db2.gz JHHJBORVRWXFSR-IGJMFERPSA-N -1 0 349.210 3.581 20 0 EHADRM COC[C@@H](C)CC(=O)Nc1ccc(Oc2ccccc2)cc1C(=O)[O-] ZINC001599157841 998403689 /nfs/dbraw/zinc/40/36/89/998403689.db2.gz AXZOSSLZXZDMMQ-ZDUSSCGKSA-N -1 0 343.379 3.788 20 0 EHADRM COc1ccc(-c2ccc(CNc3cncc(C(=O)[O-])n3)s2)cc1 ZINC001599468490 998406009 /nfs/dbraw/zinc/40/60/09/998406009.db2.gz YCYRBZSIHPWGSE-UHFFFAOYSA-N -1 0 341.392 3.524 20 0 EHADRM COc1ccc(CS[C@H](C(=O)[O-])c2ccccc2F)c(OC)c1 ZINC001599574925 998427592 /nfs/dbraw/zinc/42/75/92/998427592.db2.gz BQVLDXQKSVKUCT-INIZCTEOSA-N -1 0 336.384 3.902 20 0 EHADRM COC[C@@H](C)[C@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC001599159415 998431217 /nfs/dbraw/zinc/43/12/17/998431217.db2.gz ULDFNBQQHABRGL-MNOVXSKESA-N -1 0 339.457 3.572 20 0 EHADRM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)C[C@@H]1CCCCC1(C)C ZINC001598967014 998440030 /nfs/dbraw/zinc/44/00/30/998440030.db2.gz YPSHUBDPMZDPMX-ZDUSSCGKSA-N -1 0 347.411 3.716 20 0 EHADRM COc1ccc(Cl)cc1CN(C)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001599577639 998471509 /nfs/dbraw/zinc/47/15/09/998471509.db2.gz GKRBEOPNQMPWOF-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM COc1ccc(Cl)cc1C(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001599578724 998489735 /nfs/dbraw/zinc/48/97/35/998489735.db2.gz DZAZOEUGZSXFEL-KRWDZBQOSA-N -1 0 339.819 3.502 20 0 EHADRM COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)[O-])c1Cl ZINC001599579623 998506272 /nfs/dbraw/zinc/50/62/72/998506272.db2.gz QBOWAUFXLZGTBV-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)c1cscc1C(F)F ZINC001599378683 998531989 /nfs/dbraw/zinc/53/19/89/998531989.db2.gz QUKYTHDWBBHIEH-UHFFFAOYSA-N -1 0 328.292 3.612 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)/C=C\c1ccc(Cl)s1 ZINC001599378827 998533626 /nfs/dbraw/zinc/53/36/26/998533626.db2.gz QIMYRCCRIORNRT-DAXSKMNVSA-N -1 0 338.768 3.727 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)Nc1nc(C2CCCCC2)cs1 ZINC001594155738 998563758 /nfs/dbraw/zinc/56/37/58/998563758.db2.gz FFSQHHLEELRGCS-PWSUYJOCSA-N -1 0 337.445 3.518 20 0 EHADRM COC(=O)c1ccc(CNc2ccc(C(C)(C)C(=O)[O-])cc2)cc1F ZINC001598975327 998592581 /nfs/dbraw/zinc/59/25/81/998592581.db2.gz FMQGHGXBIDZBEI-UHFFFAOYSA-N -1 0 345.370 3.587 20 0 EHADRM COC[C@H](NC(=O)Nc1cccc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC001599171412 998614420 /nfs/dbraw/zinc/61/44/20/998614420.db2.gz RBKZLOYVRAGNNP-HNNXBMFYSA-N -1 0 348.786 3.547 20 0 EHADRM C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001594173150 998665412 /nfs/dbraw/zinc/66/54/12/998665412.db2.gz LSTAJIDXUJDWSA-BXKDBHETSA-N -1 0 330.306 3.580 20 0 EHADRM C[C@@H]1[C@H](C(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)[C@H]1c1ccccc1 ZINC001594175287 998671184 /nfs/dbraw/zinc/67/11/84/998671184.db2.gz WFGAWLDTYGEGJP-JQAFLVLXSA-N -1 0 330.767 3.993 20 0 EHADRM C[C@H]1C[C@@H](C(=O)Nc2cccc3cc(C(=O)[O-])sc32)CCC1=O ZINC001594203145 998781759 /nfs/dbraw/zinc/78/17/59/998781759.db2.gz DAVDYVVKOBTHTM-ONGXEEELSA-N -1 0 331.393 3.543 20 0 EHADRM Cc1cccc(Oc2ncccc2NC(=O)C2CC(C(=O)[O-])C2)c1C ZINC000683335808 1016250770 /nfs/dbraw/zinc/25/07/70/1016250770.db2.gz WKMLJOCUIXHFTF-UHFFFAOYSA-N -1 0 340.379 3.540 20 0 EHADRM C[C@H]1CC(CNC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)C[C@H](C)C1 ZINC001594222292 998856246 /nfs/dbraw/zinc/85/62/46/998856246.db2.gz COBSRQRHSXNANZ-VXGBXAGGSA-N -1 0 336.407 3.647 20 0 EHADRM C[C@@H]1C[C@@H](CC(=O)N(C)c2ccc(OCC(=O)[O-])cc2)CC(C)(C)C1 ZINC001594232497 998885505 /nfs/dbraw/zinc/88/55/05/998885505.db2.gz LPVAYVALJAZKOE-CABCVRRESA-N -1 0 347.455 3.965 20 0 EHADRM C[C@@H]1C[C@@H](CC(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)CC(C)(C)C1 ZINC001594232553 998886253 /nfs/dbraw/zinc/88/62/53/998886253.db2.gz MOQLLHUXVXXAKG-KEYYUXOJSA-N -1 0 349.446 3.963 20 0 EHADRM C[C@@H]1C[C@@H](CC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)CC(C)(C)C1 ZINC001594232873 998888528 /nfs/dbraw/zinc/88/85/28/998888528.db2.gz TVJYMTXSZTTYMY-XFQAVAEZSA-N -1 0 345.483 3.998 20 0 EHADRM C[C@H]1C[C@H](CCNC(=O)Nc2cc(C(=O)[O-])ccn2)CC(C)(C)C1 ZINC001594233413 998889471 /nfs/dbraw/zinc/88/94/71/998889471.db2.gz VUSDEUIBZTVNEK-STQMWFEESA-N -1 0 333.432 3.754 20 0 EHADRM C[C@@H]1C[C@@H](CNC(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)[C@H](C)O1 ZINC001594239659 998915514 /nfs/dbraw/zinc/91/55/14/998915514.db2.gz YBTBUGMOODVUAU-SCVCMEIPSA-N -1 0 348.424 3.535 20 0 EHADRM CO[C@H](C(=O)Nc1ccc(C(=O)[O-])c2ccccc12)C1CCCC1 ZINC001599026744 999021668 /nfs/dbraw/zinc/02/16/68/999021668.db2.gz LUWNIGHUEVRLAW-KRWDZBQOSA-N -1 0 327.380 3.682 20 0 EHADRM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1 ZINC001594285203 999104755 /nfs/dbraw/zinc/10/47/55/999104755.db2.gz OOPYTVLAJSEOKZ-XABWRGDLSA-N -1 0 335.488 3.989 20 0 EHADRM CO[C@H](CC(C)C)C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)[O-] ZINC001599044830 999143543 /nfs/dbraw/zinc/14/35/43/999143543.db2.gz DFRSQAPRRYKQGI-GFCCVEGCSA-N -1 0 334.199 3.691 20 0 EHADRM C[C@@H]1CCC(F)(F)CN1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001594307039 999185776 /nfs/dbraw/zinc/18/57/76/999185776.db2.gz PGKCGEZQFIQUDK-MRVPVSSYSA-N -1 0 332.734 3.690 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)Nc2cc(C(=O)[O-])cc3cccnc32)C[C@@H]1C ZINC001594315404 999221494 /nfs/dbraw/zinc/22/14/94/999221494.db2.gz XEOFMHBNFCVNCQ-XUJVJEKNSA-N -1 0 341.411 3.879 20 0 EHADRM CO[C@@H](Cn1nc(C)c(CCC(=O)[O-])c1C)c1ccc(Cl)cc1 ZINC001599059981 999258069 /nfs/dbraw/zinc/25/80/69/999258069.db2.gz OQEIQNAVKLVXKD-INIZCTEOSA-N -1 0 336.819 3.558 20 0 EHADRM COC1(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2Cl)CCCC1 ZINC001599067961 999311211 /nfs/dbraw/zinc/31/12/11/999311211.db2.gz ISTDCINBYNVQHX-UHFFFAOYSA-N -1 0 332.183 3.589 20 0 EHADRM C[C@H]1CCC[C@H](N(C)C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC001594348310 999319731 /nfs/dbraw/zinc/31/97/31/999319731.db2.gz KRKAIHIPZKRVBV-OSMBCOQSSA-N -1 0 330.428 3.917 20 0 EHADRM C[C@H](NC(=O)N1CCc2c(cccc2C(=O)[O-])C1)[C@@H]1CCC[C@@H](C)C1 ZINC001594355477 999341787 /nfs/dbraw/zinc/34/17/87/999341787.db2.gz KXSUTDQGIHVYSM-QLFBSQMISA-N -1 0 344.455 3.667 20 0 EHADRM C[C@H]1CCCC[C@@H]1CC(=O)Nc1cc2c(cc1C(=O)[O-])OCCCO2 ZINC001594363976 999374739 /nfs/dbraw/zinc/37/47/39/999374739.db2.gz PRORXPPVYWHJNV-QWHCGFSZSA-N -1 0 347.411 3.701 20 0 EHADRM C[C@H]1CCCC[C@@H]1CNC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001594366592 999385677 /nfs/dbraw/zinc/38/56/77/999385677.db2.gz LOVFPCGHAHTXGH-NWDGAFQWSA-N -1 0 329.400 3.814 20 0 EHADRM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-] ZINC001594370150 999394403 /nfs/dbraw/zinc/39/44/03/999394403.db2.gz DIQZJLICHLLIEC-ZANVPECISA-N -1 0 343.782 3.711 20 0 EHADRM C[C@@H]1CCCC[C@H]1NC(=S)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001594371596 999401818 /nfs/dbraw/zinc/40/18/18/999401818.db2.gz WZPHCBWBVHLADZ-PRHODGIISA-N -1 0 328.384 3.528 20 0 EHADRM C[C@H]1CCN(C(=O)/C=C\c2cc(C(=O)[O-])co2)CC12CCCCC2 ZINC001594396065 999492197 /nfs/dbraw/zinc/49/21/97/999492197.db2.gz HSUHUMQQNGGFFA-GXMNPTEKSA-N -1 0 331.412 3.810 20 0 EHADRM C[C@H]1CCc2[nH]nc(C(=O)Nc3ccc(C(=O)[O-])c4ccccc34)c2C1 ZINC001594449060 999646054 /nfs/dbraw/zinc/64/60/54/999646054.db2.gz YOVLRJBDOWYVMN-NSHDSACASA-N -1 0 349.390 3.638 20 0 EHADRM CC(C)Oc1ccccc1CNC(=O)CC1(CC(=O)[O-])CCCCC1 ZINC000340150676 1016487158 /nfs/dbraw/zinc/48/71/58/1016487158.db2.gz AVUSGZQFPWUTSK-UHFFFAOYSA-N -1 0 347.455 3.905 20 0 EHADRM CSc1ccc(O)c(C(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)c1 ZINC000613562557 1016570906 /nfs/dbraw/zinc/57/09/06/1016570906.db2.gz QIANBNBFLKDBAI-NSHDSACASA-N -1 0 339.416 3.835 20 0 EHADRM Cc1cccc(C)c1[C@H]1CCCN1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000659407100 1016661542 /nfs/dbraw/zinc/66/15/42/1016661542.db2.gz DHRKPSXZCWBYGQ-OFLPRAFFSA-N -1 0 344.455 3.793 20 0 EHADRM Cc1ccc(OC[C@@H](C)NC(=O)c2c(C)ccc(C)c2C(=O)[O-])cc1 ZINC000327860940 1016760111 /nfs/dbraw/zinc/76/01/11/1016760111.db2.gz KSNUECLJMBECEA-OAHLLOKOSA-N -1 0 341.407 3.507 20 0 EHADRM Cc1cc(-n2ncc(-c3cccc(Cl)c3)c2N)ccc1C(=O)[O-] ZINC001211647646 1016910362 /nfs/dbraw/zinc/91/03/62/1016910362.db2.gz ANUYZWUXGIWXHR-UHFFFAOYSA-N -1 0 327.771 3.782 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N2CCc3ccccc3[C@@H]2C)s1 ZINC000547826675 1016933132 /nfs/dbraw/zinc/93/31/32/1016933132.db2.gz DLQFPZSSMDUSBN-ZDUSSCGKSA-N -1 0 344.484 3.844 20 0 EHADRM CC(C)Cn1ncc2cc(C(=O)Nc3cccc(Cl)c3[O-])cnc21 ZINC000340318455 1016935495 /nfs/dbraw/zinc/93/54/95/1016935495.db2.gz UUEGPWIVMCQEAG-UHFFFAOYSA-N -1 0 344.802 3.699 20 0 EHADRM Cc1cccc(Nc2ccc3c(O)cc(S(=O)(=O)[O-])cc3c2)c1F ZINC001210037818 1016945129 /nfs/dbraw/zinc/94/51/29/1016945129.db2.gz QMPZHVWXLAWRRS-UHFFFAOYSA-N -1 0 347.367 3.983 20 0 EHADRM C[C@@H]1CN(C(=O)N=c2[n-]nc(-c3ccccc3)s2)[C@H]2CCCC[C@@H]12 ZINC000547826907 1016959901 /nfs/dbraw/zinc/95/99/01/1016959901.db2.gz AJFYMOVUCPMZKR-SNPRPXQTSA-N -1 0 342.468 3.669 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655585488 1016976170 /nfs/dbraw/zinc/97/61/70/1016976170.db2.gz YDAKJVOTKPXXLB-HNKHHVNMSA-N -1 0 349.496 3.809 20 0 EHADRM COc1nc(Br)ccc1Nc1ccc(C(=O)[O-])c(C)c1 ZINC001211648279 1016979979 /nfs/dbraw/zinc/97/99/79/1016979979.db2.gz ZIUZCRAYAGNSLL-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM CCN(C(=O)CC(c1ccccc1)c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000659773292 1016995654 /nfs/dbraw/zinc/99/56/54/1016995654.db2.gz QCQPHMOJBPOZDM-HNNXBMFYSA-N -1 0 325.408 3.530 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N2CC[C@@H](C)[C@@H](C)C2)s1 ZINC000471319386 1017042704 /nfs/dbraw/zinc/04/27/04/1017042704.db2.gz FVTFKWFXGBOUGE-PWSUYJOCSA-N -1 0 348.447 3.584 20 0 EHADRM C[C@H]1CCN(C(=O)N=c2ccc(-c3ccccc3)n[n-]2)CC12CCC2 ZINC000536698284 1032156759 /nfs/dbraw/zinc/15/67/59/1032156759.db2.gz JCOOEDZDXSYVBB-HNNXBMFYSA-N -1 0 336.439 3.610 20 0 EHADRM COc1ccc([C@@H](C)N(C)C(=O)c2cc(F)c(F)c([O-])c2F)cc1 ZINC000183357184 1032165198 /nfs/dbraw/zinc/16/51/98/1032165198.db2.gz MFOMTRWQSHGSCN-SECBINFHSA-N -1 0 339.313 3.651 20 0 EHADRM O=C([O-])c1coc(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)c1 ZINC000183764711 1032204353 /nfs/dbraw/zinc/20/43/53/1032204353.db2.gz SMLAYGHQKNHESV-QGZVFWFLSA-N -1 0 335.359 3.692 20 0 EHADRM CC(C)Sc1ccc([C@@H](C)NC(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000183784682 1032205562 /nfs/dbraw/zinc/20/55/62/1032205562.db2.gz FKSKQJBFBQTJQS-LLVKDONJSA-N -1 0 333.409 3.969 20 0 EHADRM O=C([O-])c1coc(C(=O)N[C@H](Cc2ccccc2)c2cccs2)c1 ZINC000183794830 1032206882 /nfs/dbraw/zinc/20/68/82/1032206882.db2.gz FRHREKIIRCKQNX-CQSZACIVSA-N -1 0 341.388 3.753 20 0 EHADRM CCC1(CC)CN(C(=O)NCCCCCC(=O)[O-])c2ccccc21 ZINC000414626231 1017077577 /nfs/dbraw/zinc/07/75/77/1017077577.db2.gz LPPXUVSZKRFRRM-UHFFFAOYSA-N -1 0 332.444 3.919 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1ncc(Cl)nc1Br ZINC001211616185 1032271290 /nfs/dbraw/zinc/27/12/90/1032271290.db2.gz ADEBEORBEHTUPR-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM CCc1ccc(Cl)c(CC)c1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000461117767 1032278620 /nfs/dbraw/zinc/27/86/20/1032278620.db2.gz ABJCUDBKUHYCED-UHFFFAOYSA-N -1 0 342.823 3.800 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ncc(Cl)cc2C)sc1Cl ZINC000461208429 1032318173 /nfs/dbraw/zinc/31/81/73/1032318173.db2.gz JPTAPALXEPBPJN-UHFFFAOYSA-N -1 0 337.253 3.868 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ncc(Cl)cc2C)c1Cl ZINC000461184748 1032316630 /nfs/dbraw/zinc/31/66/30/1032316630.db2.gz HRRNWPJYIZSYGY-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM CC[C@](CNC(=O)c1sccc1SC)(C(=O)[O-])c1ccccc1 ZINC000262955034 1032322444 /nfs/dbraw/zinc/32/24/44/1032322444.db2.gz INPWRSVYOQGUJN-QGZVFWFLSA-N -1 0 349.477 3.632 20 0 EHADRM O=C([O-])c1c[nH]c2cc(NC(=O)[C@H]3CCOC4(CCCC4)C3)ccc21 ZINC000905044418 1032324642 /nfs/dbraw/zinc/32/46/42/1032324642.db2.gz QZIMYHWMGLKJAG-LBPRGKRZSA-N -1 0 342.395 3.544 20 0 EHADRM CSc1ccc(NC(=O)C[C@@H]2CCC3(CCC3)CO2)cc1C(=O)[O-] ZINC000905044336 1032324908 /nfs/dbraw/zinc/32/49/08/1032324908.db2.gz REKFWDABHSLQER-ZDUSSCGKSA-N -1 0 349.452 3.785 20 0 EHADRM Cc1ncoc1-c1ccc(NC(=O)C2=C(C(=O)[O-])CCCC2)cc1 ZINC000905130040 1032357835 /nfs/dbraw/zinc/35/78/35/1032357835.db2.gz NZEBWBHYFWJONE-UHFFFAOYSA-N -1 0 326.352 3.544 20 0 EHADRM C[C@H](CC(=O)N[C@@H](CC(=O)[O-])C1CCCCC1)c1cccc(F)c1 ZINC000538502914 1032401536 /nfs/dbraw/zinc/40/15/36/1032401536.db2.gz QCUZUMGFSYRCHF-DYVFJYSZSA-N -1 0 335.419 3.859 20 0 EHADRM CCCCn1cc(CN=c2[n-]c(-c3cccc(Cl)c3)no2)c(C)n1 ZINC000536894365 1032405975 /nfs/dbraw/zinc/40/59/75/1032405975.db2.gz VRQMMQWYQKDMTI-UHFFFAOYSA-N -1 0 345.834 3.729 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccccc1C(F)(F)F ZINC000083955232 1032408419 /nfs/dbraw/zinc/40/84/19/1032408419.db2.gz ORJUARMPEKTIID-UHFFFAOYSA-N -1 0 333.306 3.954 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2OCC(F)(F)F)o1 ZINC000536901897 1032415725 /nfs/dbraw/zinc/41/57/25/1032415725.db2.gz XYWSTYASRXPCQT-UHFFFAOYSA-N -1 0 349.330 3.638 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)CCCc1cccs1 ZINC000263085018 1032434061 /nfs/dbraw/zinc/43/40/61/1032434061.db2.gz ZOBMSJMUJKYRRV-AWEZNQCLSA-N -1 0 331.437 3.573 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1cc(Br)ncc1F ZINC001211618478 1032443223 /nfs/dbraw/zinc/44/32/23/1032443223.db2.gz ANTXYRISGROAMU-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)NCCCCCC(=O)[O-])C1 ZINC000414629479 1017081933 /nfs/dbraw/zinc/08/19/33/1017081933.db2.gz RIKKASRNWXUVCW-RDJZCZTQSA-N -1 0 332.444 3.814 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1ccc2ncc(Br)n2c1 ZINC001211618748 1032461676 /nfs/dbraw/zinc/46/16/76/1032461676.db2.gz PDNVTUYDUHZPGD-UHFFFAOYSA-N -1 0 346.184 3.847 20 0 EHADRM Cc1cccc([C@@H]2CCCCN2S(=O)(=O)c2ccccc2[O-])c1C ZINC001210151740 1017296394 /nfs/dbraw/zinc/29/63/94/1017296394.db2.gz RNLPSOPITBMTEQ-KRWDZBQOSA-N -1 0 345.464 3.925 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000414629913 1017091111 /nfs/dbraw/zinc/09/11/11/1017091111.db2.gz UYGIDBQIXIJPHJ-FQXVJMBOSA-N -1 0 344.455 3.608 20 0 EHADRM C[C@H]1CCC[C@@H](N(C)C(=O)c2cccc(Br)c2[O-])C1 ZINC000592832477 1032583199 /nfs/dbraw/zinc/58/31/99/1032583199.db2.gz DDUVAXVMYPGEDW-WDEREUQCSA-N -1 0 326.234 3.805 20 0 EHADRM C[C@@H](S[C@H](C)C(=O)Nc1ccccc1OC1CCCC1)C(=O)[O-] ZINC000601988535 1032583710 /nfs/dbraw/zinc/58/37/10/1032583710.db2.gz AEQLJIWDNIXXMR-VXGBXAGGSA-N -1 0 337.441 3.541 20 0 EHADRM CCN(C(=O)[C@H](C)S[C@H](C)C(=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000601994124 1032586782 /nfs/dbraw/zinc/58/67/82/1032586782.db2.gz LTCDLXQYHWACKR-FRRDWIJNSA-N -1 0 349.452 3.937 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)N1CCCCC[C@@H]1c1ccccc1 ZINC000602004891 1032589775 /nfs/dbraw/zinc/58/97/75/1032589775.db2.gz SQFIKLSYDMJYLD-IJEWVQPXSA-N -1 0 335.469 3.725 20 0 EHADRM CCC(CC)(NC(=O)Nc1ccc(C)c(Br)c1)C(=O)[O-] ZINC000094242297 1017101902 /nfs/dbraw/zinc/10/19/02/1017101902.db2.gz GKQWDQBJFLCXKX-UHFFFAOYSA-N -1 0 343.221 3.522 20 0 EHADRM O=C([O-])[C@H](CC(F)(F)F)NC(=O)c1cc2c(s1)CCCCCC2 ZINC000261879228 1032596359 /nfs/dbraw/zinc/59/63/59/1032596359.db2.gz MGVKGEXSQADKPI-JTQLQIEISA-N -1 0 349.374 3.543 20 0 EHADRM O=C(N=c1[n-]nc(Cc2ccc(F)cc2)s1)NC1CCCCCC1 ZINC000592931536 1032614010 /nfs/dbraw/zinc/61/40/10/1032614010.db2.gz RFYHZBHVASVADH-UHFFFAOYSA-N -1 0 348.447 3.534 20 0 EHADRM CC(C(=O)N(C)C1CCCCC1)=S([O-])c1nc(C(C)C)cs1 ZINC000593002720 1032637387 /nfs/dbraw/zinc/63/73/87/1032637387.db2.gz ULNRWTRQJHCBTF-AMXDTQDGSA-N -1 0 342.530 3.554 20 0 EHADRM CC(C)c1csc(S([O-])=CC(=O)N(C(C)C)C2CCCC2)n1 ZINC000593006856 1032639063 /nfs/dbraw/zinc/63/90/63/1032639063.db2.gz VXDLEPNGPURHDZ-JOCHJYFZSA-N -1 0 342.530 3.554 20 0 EHADRM Cc1cc(CNC(=O)N(C)CCCC(=O)[O-])ccc1-c1ccccc1 ZINC000414642771 1017105159 /nfs/dbraw/zinc/10/51/59/1017105159.db2.gz MQHQYEQKLRKJAR-UHFFFAOYSA-N -1 0 340.423 3.668 20 0 EHADRM CC(C)CCOc1ccc([N-]S(=O)(=O)c2ccoc2)cc1F ZINC000655599549 1017163152 /nfs/dbraw/zinc/16/31/52/1017163152.db2.gz WARFIBYJAHIXJO-UHFFFAOYSA-N -1 0 327.377 3.644 20 0 EHADRM Cc1cccc(-c2ccc(CNC(=O)c3ccc(C(=O)[O-])o3)cc2)c1 ZINC000237812236 1017202453 /nfs/dbraw/zinc/20/24/53/1017202453.db2.gz BBOOJDJLXQKUFM-UHFFFAOYSA-N -1 0 335.359 3.883 20 0 EHADRM Cc1ccc(CCC(=O)N2CC[C@@](C(=O)[O-])(C(C)C)C2)cc1Cl ZINC000324497457 1017209343 /nfs/dbraw/zinc/20/93/43/1017209343.db2.gz KHIQWHJVZMRHNE-SFHVURJKSA-N -1 0 337.847 3.540 20 0 EHADRM C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1ncc2ccccc2c1O ZINC000613638496 1017346553 /nfs/dbraw/zinc/34/65/53/1017346553.db2.gz STYHMHYOFVHQTP-GXFFZTMASA-N -1 0 338.329 3.743 20 0 EHADRM C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1ncc2ccccc2c1O ZINC000613638495 1017347234 /nfs/dbraw/zinc/34/72/34/1017347234.db2.gz STYHMHYOFVHQTP-GWCFXTLKSA-N -1 0 338.329 3.743 20 0 EHADRM Cc1ccc([C@H]2CSCCN2C(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000183632400 1017356617 /nfs/dbraw/zinc/35/66/17/1017356617.db2.gz PNWHRZAVMDGSFP-MRXNPFEDSA-N -1 0 349.402 3.909 20 0 EHADRM CCN(C(=O)N[C@@H](CC(=O)[O-])c1cc(Cl)cc(Cl)c1)C(C)C ZINC000547932477 1017394373 /nfs/dbraw/zinc/39/43/73/1017394373.db2.gz FQZTZNVXJBQLPV-ZDUSSCGKSA-N -1 0 347.242 3.949 20 0 EHADRM Clc1ccc(CN=c2[n-]nc(CCCc3ccccc3)o2)cc1 ZINC000537405164 1032707281 /nfs/dbraw/zinc/70/72/81/1032707281.db2.gz RGFHQLMIBYOMMY-UHFFFAOYSA-N -1 0 327.815 3.932 20 0 EHADRM O=C([O-])C1(CC(=O)NCC2CC(c3ccccc3)C2)CCCCC1 ZINC000549188938 1017558511 /nfs/dbraw/zinc/55/85/11/1017558511.db2.gz IDAFECMOESDFBM-UHFFFAOYSA-N -1 0 329.440 3.722 20 0 EHADRM CCCOc1ccccc1[C@@H](CC(C)C)NC(=O)N=c1[n-]ncs1 ZINC000343841185 1017568305 /nfs/dbraw/zinc/56/83/05/1017568305.db2.gz DEQHGIVEIRYWGC-CQSZACIVSA-N -1 0 348.472 3.658 20 0 EHADRM CN(c1cc(Br)ccc1N)c1cccc(C(=O)[O-])c1F ZINC001210241449 1017665366 /nfs/dbraw/zinc/66/53/66/1017665366.db2.gz DDMBAPWBIWICDC-UHFFFAOYSA-N -1 0 339.164 3.637 20 0 EHADRM Cc1n[n-]c(=NC(=O)NCc2ccc(-c3cccc(C)c3)cc2)s1 ZINC000606472727 1032715405 /nfs/dbraw/zinc/71/54/05/1032715405.db2.gz OMGMZKKRMUTSEG-UHFFFAOYSA-N -1 0 338.436 3.566 20 0 EHADRM COc1nc(C(F)(F)F)ccc1-c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000574099984 1032719652 /nfs/dbraw/zinc/71/96/52/1032719652.db2.gz RDZMGOJRDQOPOW-UHFFFAOYSA-N -1 0 337.297 3.892 20 0 EHADRM CC[C@H](C(=O)[N-]O[C@H]1CCCCO1)c1cccc(C(F)(F)F)c1 ZINC000175814364 1017783022 /nfs/dbraw/zinc/78/30/22/1017783022.db2.gz BKTPKBNWBIIESL-KBPBESRZSA-N -1 0 331.334 3.773 20 0 EHADRM CCc1c(NC(=O)c2cc(F)c([O-])c(Cl)c2)cnn1CC(C)C ZINC000683629129 1017802670 /nfs/dbraw/zinc/80/26/70/1017802670.db2.gz BPTDOUNMRHPOOJ-UHFFFAOYSA-N -1 0 339.798 3.852 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)NC[C@H](C(=O)[O-])C(C)C)cc1 ZINC000655867191 1017825165 /nfs/dbraw/zinc/82/51/65/1017825165.db2.gz VTWNPMXMXVGKQE-WFASDCNBSA-N -1 0 338.473 3.516 20 0 EHADRM C[C@@H](NC(=O)N([C@@H](C)C(=O)[O-])C1CC1)c1cc2ccccc2s1 ZINC000574134256 1032728621 /nfs/dbraw/zinc/72/86/21/1032728621.db2.gz DRSYCJNJAYZWRI-MNOVXSKESA-N -1 0 332.425 3.609 20 0 EHADRM CC(C)C[C@H]1CCCCN1C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655902004 1017881458 /nfs/dbraw/zinc/88/14/58/1017881458.db2.gz NLTZYFDXOXAXAI-LVQVYYBASA-N -1 0 338.492 3.732 20 0 EHADRM CC(C)(C)Oc1c(F)cc([N-]S(=O)(=O)c2ccco2)cc1F ZINC000275655041 1017935340 /nfs/dbraw/zinc/93/53/40/1017935340.db2.gz CVCQGUPDEKHMIU-UHFFFAOYSA-N -1 0 331.340 3.536 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)c1sc2cc(F)ccc2c1Cl)C1CC1 ZINC000394911107 1018007005 /nfs/dbraw/zinc/00/70/05/1018007005.db2.gz VEZFJMIZTCVAMC-ZETCQYMHSA-N -1 0 341.791 3.772 20 0 EHADRM Cc1cc(Nc2cccn3c(Br)cnc23)ccc1C(=O)[O-] ZINC001211650159 1018034777 /nfs/dbraw/zinc/03/47/77/1018034777.db2.gz SCZIMWRMMQOJEQ-UHFFFAOYSA-N -1 0 346.184 3.847 20 0 EHADRM CCOc1ccccc1[C@H](CC(C)C)NC(=O)N=c1[n-]nc(C)s1 ZINC000343846982 1018055029 /nfs/dbraw/zinc/05/50/29/1018055029.db2.gz BTMWNTJENPJSKP-AWEZNQCLSA-N -1 0 348.472 3.576 20 0 EHADRM O=C(NO[C@@H]1CCCCO1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000155516221 1018109120 /nfs/dbraw/zinc/10/91/20/1018109120.db2.gz IFJVYNUWCFCGTA-LLVKDONJSA-N -1 0 338.713 3.939 20 0 EHADRM O=C([O-])c1coc(CN2CCc3cccc(C(F)(F)F)c3C2)c1 ZINC000528752551 1032744552 /nfs/dbraw/zinc/74/45/52/1032744552.db2.gz XKVKHEKUZNJKHC-UHFFFAOYSA-N -1 0 325.286 3.555 20 0 EHADRM C[C@@H]1C(=O)CC[C@H](C(=O)Nc2ccc3[n-]c(=S)oc3c2)C1(C)C ZINC000275709020 1018212658 /nfs/dbraw/zinc/21/26/58/1018212658.db2.gz UHMCYCVDGGPMQD-MWLCHTKSSA-N -1 0 332.425 3.696 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000653297220 1018336968 /nfs/dbraw/zinc/33/69/68/1018336968.db2.gz LMZNCWIEAWZSEK-SNVBAGLBSA-N -1 0 331.334 3.774 20 0 EHADRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cc(C)c(F)cc2F)n[nH]1 ZINC000471501985 1018365027 /nfs/dbraw/zinc/36/50/27/1018365027.db2.gz ZQYJUNURSQKGJW-SECBINFHSA-N -1 0 343.399 3.701 20 0 EHADRM Cc1cc([N-]C(=O)c2nc([C@@H]3C[C@H](C)CC[C@@H]3C(C)C)no2)no1 ZINC000656056063 1018395699 /nfs/dbraw/zinc/39/56/99/1018395699.db2.gz YTGFBZXRSKDBFY-RAIGVLPGSA-N -1 0 332.404 3.794 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2cnc3sccc3c2)c(Cl)c1 ZINC001210695233 1018556725 /nfs/dbraw/zinc/55/67/25/1018556725.db2.gz XGLHTABHGQTZRT-UHFFFAOYSA-N -1 0 340.813 3.940 20 0 EHADRM Cc1nc2ccccc2nc1CN1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000580055798 1018574404 /nfs/dbraw/zinc/57/44/04/1018574404.db2.gz QORILJIPCKBEJA-OAHLLOKOSA-N -1 0 333.391 3.517 20 0 EHADRM COc1ccnc([N-]S(=O)(=O)c2cc(Cl)c(C)c(Cl)c2)c1 ZINC000340584950 1018590796 /nfs/dbraw/zinc/59/07/96/1018590796.db2.gz SVEAPRZDQHGJOO-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM C/C(=C/C(=O)N[C@H](CC(=O)[O-])c1ccccc1C)c1ccc(F)cc1 ZINC000236663558 1018591028 /nfs/dbraw/zinc/59/10/28/1018591028.db2.gz WZVIUFDYDSGTBP-DEQJRXDXSA-N -1 0 341.382 3.870 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)s2)C[C@@]1(C)C(=O)[O-] ZINC000580079547 1018614389 /nfs/dbraw/zinc/61/43/89/1018614389.db2.gz TUZWJIJPCLYEKU-ADLMAVQZSA-N -1 0 347.411 3.737 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)sc1-c1ccccc1 ZINC000580089716 1018630422 /nfs/dbraw/zinc/63/04/22/1018630422.db2.gz XTEONYCFKZCOGH-CQSZACIVSA-N -1 0 329.421 3.660 20 0 EHADRM CCCC[C@@H](NC(=O)N[C@@H](C)c1cccc2ccccc21)C(=O)[O-] ZINC000580231964 1018838375 /nfs/dbraw/zinc/83/83/75/1018838375.db2.gz RLONNEMCHXYCMJ-SUMWQHHRSA-N -1 0 328.412 3.843 20 0 EHADRM Cc1ccc([C@@H](NC(=O)NCc2ncccc2O)c2ccccc2)cc1 ZINC000471548743 1018892981 /nfs/dbraw/zinc/89/29/81/1018892981.db2.gz SXGDZYJXICWYTJ-FQEVSTJZSA-N -1 0 347.418 3.684 20 0 EHADRM CO[C@H](c1noc(-c2cccc(Br)c2[O-])n1)C(C)C ZINC000580274595 1018909166 /nfs/dbraw/zinc/90/91/66/1018909166.db2.gz HEUFWCZLEDIIKM-NSHDSACASA-N -1 0 327.178 3.548 20 0 EHADRM C[C@H]1CN(C(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)CC[C@@H]1C(=O)[O-] ZINC000261751410 1018919507 /nfs/dbraw/zinc/91/95/07/1018919507.db2.gz UTRDMFJPVWWWFU-OEEDQJSGSA-N -1 0 333.472 3.552 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 ZINC000237057578 1018920031 /nfs/dbraw/zinc/92/00/31/1018920031.db2.gz JIDZNGDROMSHHB-CSKARUKUSA-N -1 0 347.411 3.891 20 0 EHADRM Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C)c2)s1 ZINC000433509957 1019028990 /nfs/dbraw/zinc/02/89/90/1019028990.db2.gz OMOBMARNFAQZMF-UHFFFAOYSA-N -1 0 340.470 3.656 20 0 EHADRM [O-]c1c(Cl)cc(Nc2cncc(Br)n2)cc1Cl ZINC001210924265 1019038960 /nfs/dbraw/zinc/03/89/60/1019038960.db2.gz FXOJMZAAEWJMMQ-UHFFFAOYSA-N -1 0 334.988 3.995 20 0 EHADRM COC(=O)c1nc(Br)ccc1Nc1cccc([S-])c1 ZINC001210945286 1019097333 /nfs/dbraw/zinc/09/73/33/1019097333.db2.gz LWXABXKHLGQEBA-UHFFFAOYSA-N -1 0 339.214 3.663 20 0 EHADRM COC(=O)c1cc(OC)c(Nc2ccccc2C(=O)[O-])cc1Cl ZINC001210968959 1019149783 /nfs/dbraw/zinc/14/97/83/1019149783.db2.gz NSYHUQCQSLMELG-UHFFFAOYSA-N -1 0 335.743 3.577 20 0 EHADRM O=C([O-])c1cccc(NCc2cnn(-c3ccc(Cl)cc3)c2)c1 ZINC000340674865 1019153892 /nfs/dbraw/zinc/15/38/92/1019153892.db2.gz YDYRLWHTIXNRCR-UHFFFAOYSA-N -1 0 327.771 3.836 20 0 EHADRM Cn1ccc2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3F)c21 ZINC000471568061 1019228381 /nfs/dbraw/zinc/22/83/81/1019228381.db2.gz ZSHUGUCIIPXMOH-UHFFFAOYSA-N -1 0 338.791 3.772 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)Nc1ccc(F)cc1 ZINC000683921124 1019243178 /nfs/dbraw/zinc/24/31/78/1019243178.db2.gz GMYKUPZWXSRWCH-CJNGLKHVSA-N -1 0 334.391 3.713 20 0 EHADRM COc1cc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)ccc1Cl ZINC000683922194 1019256690 /nfs/dbraw/zinc/25/66/90/1019256690.db2.gz OLSWIGPATWQMFL-ZDUSSCGKSA-N -1 0 333.771 3.546 20 0 EHADRM Cc1ccc(Br)cc1NC(=O)NC(C)(C)CCC(=O)[O-] ZINC000050196857 1019259757 /nfs/dbraw/zinc/25/97/57/1019259757.db2.gz XCZVBWJGEMINRD-UHFFFAOYSA-N -1 0 343.221 3.522 20 0 EHADRM O=S(=O)([N-][C@@H](C1CC1)C(F)(F)F)c1cc(Cl)cc(Cl)c1 ZINC000580426118 1019353856 /nfs/dbraw/zinc/35/38/56/1019353856.db2.gz PBGLXWANSUKJLF-JTQLQIEISA-N -1 0 348.173 3.613 20 0 EHADRM C[C@@H](OCCCNC(=O)CC1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000580434362 1019363805 /nfs/dbraw/zinc/36/38/05/1019363805.db2.gz ITJBDRIETHJRHT-KLHKWILBSA-N -1 0 347.455 3.552 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1ccc(CNc2ccccc2)cc1 ZINC000656231188 1019469228 /nfs/dbraw/zinc/46/92/28/1019469228.db2.gz AJUKCINQFPAFCR-UHFFFAOYSA-N -1 0 326.396 3.882 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1nnc(-c2ccc(C)cc2C)o1 ZINC000580519208 1019541002 /nfs/dbraw/zinc/54/10/02/1019541002.db2.gz YGGVHCHGROJWPZ-UHFFFAOYSA-N -1 0 349.437 3.524 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000262216625 1019563683 /nfs/dbraw/zinc/56/36/83/1019563683.db2.gz UEGUSYLMWSTMGO-ZACQAIPSSA-N -1 0 343.810 3.656 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(CC(=O)[O-])cc1)Cc1cccc(F)c1 ZINC000262310578 1019590786 /nfs/dbraw/zinc/59/07/86/1019590786.db2.gz SIYKLRSYZQPNQQ-CYBMUJFWSA-N -1 0 329.371 3.660 20 0 EHADRM O=C(N=c1nc(-c2ccccc2)[n-]s1)c1coc(C2CCCC2)n1 ZINC000548110532 1019616266 /nfs/dbraw/zinc/61/62/66/1019616266.db2.gz UXONKEUOOHLGKO-UHFFFAOYSA-N -1 0 340.408 3.525 20 0 EHADRM C[C@]1(C(=O)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC=CCC1 ZINC000408487512 1019638441 /nfs/dbraw/zinc/63/84/41/1019638441.db2.gz WDNNPNPDOBTCGJ-AWEZNQCLSA-N -1 0 348.251 3.545 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cc(F)c(NC(C)(C)C)cc2C(=O)[O-])C1 ZINC000580572716 1019658796 /nfs/dbraw/zinc/65/87/96/1019658796.db2.gz DBIOZPPVRFFVBQ-SNVBAGLBSA-N -1 0 337.395 3.608 20 0 EHADRM Cc1ccc(/C=C\S(=O)(=O)[N-]c2nnc(-c3ccco3)s2)cc1 ZINC000760318066 1032847205 /nfs/dbraw/zinc/84/72/05/1032847205.db2.gz QBFULKQHLKUYLZ-NTMALXAHSA-N -1 0 347.421 3.519 20 0 EHADRM CCc1ccc([C@@H]2CCCCN2C(=O)c2c(C)coc2CC(=O)[O-])o1 ZINC000262869657 1019751960 /nfs/dbraw/zinc/75/19/60/1019751960.db2.gz FXJLXJLHIUXZID-AWEZNQCLSA-N -1 0 345.395 3.738 20 0 EHADRM CCOc1ccc(C(F)(F)F)cc1NC(=O)CC(C)(C)C(=O)[O-] ZINC000580623805 1019754345 /nfs/dbraw/zinc/75/43/45/1019754345.db2.gz IHCDKBBGNNMDJN-UHFFFAOYSA-N -1 0 333.306 3.544 20 0 EHADRM C[C@@H]1CN(C(=O)CSc2ccc(C(C)(C)C)cc2)CC[C@H]1C(=O)[O-] ZINC000262925634 1019767808 /nfs/dbraw/zinc/76/78/08/1019767808.db2.gz JQMLEHWSNVIFEA-CZUORRHYSA-N -1 0 349.496 3.645 20 0 EHADRM CC(C)(CCC(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1ccccc1 ZINC000263022672 1019792853 /nfs/dbraw/zinc/79/28/53/1019792853.db2.gz YMATUDBACMOANM-QGZVFWFLSA-N -1 0 331.456 3.990 20 0 EHADRM Cc1csc(-c2cccc(C(=O)N[C@@](C)(CC(=O)[O-])C(C)C)c2)n1 ZINC000263048389 1019799791 /nfs/dbraw/zinc/79/97/91/1019799791.db2.gz RWVYCECTGQJJPQ-SFHVURJKSA-N -1 0 346.452 3.738 20 0 EHADRM CC(C)c1ccc(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1Cl ZINC000263116605 1019819055 /nfs/dbraw/zinc/81/90/55/1019819055.db2.gz KETAVYOQLIKZGE-CQSZACIVSA-N -1 0 335.831 3.790 20 0 EHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(C(=O)[O-])c(C)n2)o1 ZINC000263371683 1019886470 /nfs/dbraw/zinc/88/64/70/1019886470.db2.gz YLAGGBKTXYDWAC-INIZCTEOSA-N -1 0 342.395 3.747 20 0 EHADRM CN(C[C@H]1CC=CCC1)C(=O)N=c1[n-]nc(/C=C/c2ccco2)s1 ZINC000345108752 1019952998 /nfs/dbraw/zinc/95/29/98/1019952998.db2.gz LTZJSUZZPCZUMG-LXKVQUBZSA-N -1 0 344.440 3.543 20 0 EHADRM CCCC[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC000345206567 1020060650 /nfs/dbraw/zinc/06/06/50/1020060650.db2.gz GUQJKVPPLGBGHX-ZDUSSCGKSA-N -1 0 335.400 3.927 20 0 EHADRM Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000126836606 1020115965 /nfs/dbraw/zinc/11/59/65/1020115965.db2.gz JJJUDXZIMDBZGS-UHFFFAOYSA-N -1 0 334.441 3.895 20 0 EHADRM C[C@@H]1CN(C(=O)c2cccc(Oc3ccccc3)c2)C[C@@]1(C)C(=O)[O-] ZINC000574280550 1032878581 /nfs/dbraw/zinc/87/85/81/1032878581.db2.gz MQXXHCAAECUZAY-JLTOFOAXSA-N -1 0 339.391 3.662 20 0 EHADRM CC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1F)CC(F)(F)F ZINC001212185657 1032881197 /nfs/dbraw/zinc/88/11/97/1032881197.db2.gz XWIJWNDWENUMPK-MRVPVSSYSA-N -1 0 347.761 3.736 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)C3CCC3)cc2)s1 ZINC000580927889 1020250649 /nfs/dbraw/zinc/25/06/49/1020250649.db2.gz VQBXGKFRFBZTOS-UHFFFAOYSA-N -1 0 335.450 3.840 20 0 EHADRM Cc1nn(-c2ccccc2)cc1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000345647457 1020424222 /nfs/dbraw/zinc/42/42/22/1020424222.db2.gz VBHLVIDWQRZDOQ-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@@H]1CCC(=O)c2ccccc21 ZINC000345706878 1020462392 /nfs/dbraw/zinc/46/23/92/1020462392.db2.gz NCWZYXGHNGZYDV-LLVKDONJSA-N -1 0 333.746 3.884 20 0 EHADRM C[C@H]1CCC[C@H](N(C)C(=O)N=c2[n-]nc(-c3ccccc3)s2)C1 ZINC000548154898 1020495457 /nfs/dbraw/zinc/49/54/57/1020495457.db2.gz QKZVUTKAXOVUMT-JSGCOSHPSA-N -1 0 330.457 3.669 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000345786671 1020521904 /nfs/dbraw/zinc/52/19/04/1020521904.db2.gz UUXDOXWMAUQURU-GOSISDBHSA-N -1 0 341.407 3.667 20 0 EHADRM Cc1ncc(S(=O)(=O)[N-]c2ccc(F)cc2OC(C)(C)C)s1 ZINC000345873587 1020584191 /nfs/dbraw/zinc/58/41/91/1020584191.db2.gz HLIWGAMHNWFGPA-UHFFFAOYSA-N -1 0 344.433 3.569 20 0 EHADRM Cc1cc(C(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])c(C)n1C1CC1 ZINC000345893380 1020592943 /nfs/dbraw/zinc/59/29/43/1020592943.db2.gz VYQOOEALOFYBIB-DOTOQJQBSA-N -1 0 332.444 3.593 20 0 EHADRM Cc1ccc(CCC(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000345892959 1020593066 /nfs/dbraw/zinc/59/30/66/1020593066.db2.gz VFWIHTZOFLDHOL-QGZVFWFLSA-N -1 0 345.826 3.913 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(Cl)o1)c1ccc(Cl)cc1 ZINC000345905605 1020601901 /nfs/dbraw/zinc/60/19/01/1020601901.db2.gz LENVMXVGNBDBPN-SNVBAGLBSA-N -1 0 328.151 3.532 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCCC[C@H](C)C3)n2)c1 ZINC000501070237 1020686593 /nfs/dbraw/zinc/68/65/93/1020686593.db2.gz RTAPOGLMSHJBPQ-HNNXBMFYSA-N -1 0 341.455 3.964 20 0 EHADRM O=C([O-])[C@@]1(CC(=O)Nc2ccc3c(c2)C=CCCC3)CCSC1 ZINC000656484729 1020706006 /nfs/dbraw/zinc/70/60/06/1020706006.db2.gz DSDAVLXSRUYXDP-GOSISDBHSA-N -1 0 331.437 3.573 20 0 EHADRM CCOc1cc(C)ccc1NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000048382405 1020729557 /nfs/dbraw/zinc/72/95/57/1020729557.db2.gz KPVFQUXQVYLIMN-HXUWFJFHSA-N -1 0 341.407 3.765 20 0 EHADRM CCC(C)(C)N(C)C(=O)Nc1ccc(C(=O)[O-])cc1Br ZINC000071394535 1020747926 /nfs/dbraw/zinc/74/79/26/1020747926.db2.gz ILKAHVZIUCQVGD-UHFFFAOYSA-N -1 0 343.221 3.800 20 0 EHADRM Cc1c(Cl)cc(NC(=O)N[C@](C)(CCF)C(=O)[O-])cc1Cl ZINC000656505317 1020761796 /nfs/dbraw/zinc/76/17/96/1020761796.db2.gz BCOCXLVINWETQA-CYBMUJFWSA-N -1 0 337.178 3.626 20 0 EHADRM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)Nc1ccc2c(c1)C=CCCC2 ZINC000656505873 1020766993 /nfs/dbraw/zinc/76/69/93/1020766993.db2.gz GLBGWGXEIPKXAJ-NJAFHUGGSA-N -1 0 340.423 3.753 20 0 EHADRM C[C@H]1CC(NC(=O)N=c2[n-]nc(-c3ccsc3)s2)C[C@H](C)C1 ZINC000606944300 1032934513 /nfs/dbraw/zinc/93/45/13/1032934513.db2.gz OUFPAJNKJCWQOX-NXEZZACHSA-N -1 0 336.486 3.635 20 0 EHADRM Nc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])cc(Cl)n1 ZINC000760427717 1032945199 /nfs/dbraw/zinc/94/51/99/1032945199.db2.gz VQKWDANAVUDTCP-UHFFFAOYSA-N -1 0 332.574 3.582 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1cccc2c1ccn2C(F)F ZINC000656605279 1020997581 /nfs/dbraw/zinc/99/75/81/1020997581.db2.gz QWIIQPWKSRHELP-UHFFFAOYSA-N -1 0 339.342 3.801 20 0 EHADRM C/C=C/C[C@@H](NC(=O)Nc1ccc(OCCC(C)C)cc1)C(=O)[O-] ZINC000581526468 1021057578 /nfs/dbraw/zinc/05/75/78/1021057578.db2.gz RPRRTASUZWSSEA-DWTRPJMMSA-N -1 0 334.416 3.652 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)C1c2ccccc2Oc2ccccc21 ZINC000341192314 1021070968 /nfs/dbraw/zinc/07/09/68/1021070968.db2.gz MLRNHIHLSSCVOK-UHFFFAOYSA-N -1 0 343.386 3.652 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(Cl)cc(Br)c2)cn1 ZINC000308315343 1021083828 /nfs/dbraw/zinc/08/38/28/1021083828.db2.gz YUSWCTYHBUCCMB-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM O=C(N=c1cc(-c2cccs2)[nH][nH]1)[C@@H]1CCSc2ccccc21 ZINC000439118333 1021162975 /nfs/dbraw/zinc/16/29/75/1021162975.db2.gz MEYAQTWURCQPBF-GFCCVEGCSA-N -1 0 341.461 3.778 20 0 EHADRM C[C@H](NC(=O)c1ccc([O-])c(Cl)c1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000439142128 1021177914 /nfs/dbraw/zinc/17/79/14/1021177914.db2.gz PYUSJBDMGZCCAZ-PSVSLLHZSA-N -1 0 331.799 3.729 20 0 EHADRM CCOc1cc(/C=C\c2nc3cc(C(=O)[O-])ccc3o2)ccc1O ZINC000436784083 1021224428 /nfs/dbraw/zinc/22/44/28/1021224428.db2.gz ORHDYENPQCGBDC-YWEYNIOJSA-N -1 0 325.320 3.801 20 0 EHADRM O=C(Nc1cncnc1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436809290 1021255395 /nfs/dbraw/zinc/25/53/95/1021255395.db2.gz SHNFZQWJWURJMW-UHFFFAOYSA-N -1 0 325.755 3.755 20 0 EHADRM Cc1c(Br)ccc(O)c1NC(=O)CSC(F)(F)F ZINC000296115493 1021258109 /nfs/dbraw/zinc/25/81/09/1021258109.db2.gz QGQMQSHIMOLWSI-UHFFFAOYSA-N -1 0 344.152 3.655 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC[C@@H]1C(=O)[O-])c1ccccc1Oc1ccccc1 ZINC000507428735 1021260494 /nfs/dbraw/zinc/26/04/94/1021260494.db2.gz ZWNXKQKXTTZVIT-JQFCIGGWSA-N -1 0 339.391 3.767 20 0 EHADRM CC(=O)c1cc(NC(=O)c2cc(F)c([O-])c(Cl)c2)ccc1F ZINC000436856612 1021287293 /nfs/dbraw/zinc/28/72/93/1021287293.db2.gz MNOASCVBLTYTEL-UHFFFAOYSA-N -1 0 325.698 3.779 20 0 EHADRM CN(CCCOc1ccccc1)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436856496 1021322297 /nfs/dbraw/zinc/32/22/97/1021322297.db2.gz SSEZYCUFLNKVIU-UHFFFAOYSA-N -1 0 337.778 3.726 20 0 EHADRM CCC[C@@H]1SCCN1C(=O)c1cc(F)cc(Br)c1[O-] ZINC000436890246 1021341234 /nfs/dbraw/zinc/34/12/34/1021341234.db2.gz SSMGDCKGEGUTFR-NSHDSACASA-N -1 0 348.237 3.609 20 0 EHADRM O=C(Nc1n[nH]c(-c2ccc(O)c(Cl)c2)n1)c1ccccc1Cl ZINC000436915147 1021369910 /nfs/dbraw/zinc/36/99/10/1021369910.db2.gz MWGWFBDHEPLEKA-UHFFFAOYSA-N -1 0 349.177 3.736 20 0 EHADRM O=C(Nc1nc(Cc2ccccc2)cs1)c1c([O-])cccc1F ZINC000436916553 1021373875 /nfs/dbraw/zinc/37/38/75/1021373875.db2.gz AAKZUNGDGOPQQE-UHFFFAOYSA-N -1 0 328.368 3.831 20 0 EHADRM CN(Cc1ccc(F)cc1F)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436918501 1021377844 /nfs/dbraw/zinc/37/78/44/1021377844.db2.gz HBXGUXGCHGRVKK-UHFFFAOYSA-N -1 0 329.705 3.735 20 0 EHADRM C[C@H](CNC(=O)c1cc(F)c([O-])c(Cl)c1)c1ccc(F)cc1 ZINC000436922496 1021381769 /nfs/dbraw/zinc/38/17/69/1021381769.db2.gz NVJMNWSJYPSUOT-SECBINFHSA-N -1 0 325.742 3.857 20 0 EHADRM O=C(NCc1cnc2ccccc2c1)c1cc(F)c([O-])c(Cl)c1 ZINC000436926308 1021385260 /nfs/dbraw/zinc/38/52/60/1021385260.db2.gz JMLUXMOMYWKROG-UHFFFAOYSA-N -1 0 330.746 3.663 20 0 EHADRM COc1cccc(C2(CNC(=O)c3ccc([O-])c(Cl)c3)CC2)c1 ZINC000436928668 1021390448 /nfs/dbraw/zinc/39/04/48/1021390448.db2.gz BVCBESFZEKCJSO-UHFFFAOYSA-N -1 0 331.799 3.516 20 0 EHADRM CCc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2OC)ccc1F ZINC000507616928 1021401060 /nfs/dbraw/zinc/40/10/60/1021401060.db2.gz MLWCBRQRKZEZCE-UHFFFAOYSA-N -1 0 343.807 3.851 20 0 EHADRM C[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)[C@H]1Oc2ccccc2[C@H]1C ZINC000436943577 1021405583 /nfs/dbraw/zinc/40/55/83/1021405583.db2.gz MQBRXNQUBKWQTK-KEYDSSBGSA-N -1 0 349.789 3.868 20 0 EHADRM O=C(NCC1(Cc2ccc(F)cc2)CC1)c1cc(F)c([O-])c(F)c1 ZINC000436964477 1021412524 /nfs/dbraw/zinc/41/25/24/1021412524.db2.gz GKVWCRILKNZRGN-UHFFFAOYSA-N -1 0 335.325 3.562 20 0 EHADRM COc1cccc([C@H]2C[C@@H](C)CN2C(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000436969224 1021416944 /nfs/dbraw/zinc/41/69/44/1021416944.db2.gz XMTDEYWCHPKENT-PIGZYNQJSA-N -1 0 347.361 3.902 20 0 EHADRM O=C(N[C@@H]1COc2ccc(Cl)cc21)c1cc(F)c([O-])c(Cl)c1 ZINC000436954003 1021418259 /nfs/dbraw/zinc/41/82/59/1021418259.db2.gz CVVPZULDCIHTMC-GFCCVEGCSA-N -1 0 342.153 3.702 20 0 EHADRM CN(C(=O)c1cc(Cl)ccc1O)[C@H](c1ncc[nH]1)c1ccccc1 ZINC000436956577 1021421491 /nfs/dbraw/zinc/42/14/91/1021421491.db2.gz SISVOBBOIBXHII-INIZCTEOSA-N -1 0 341.798 3.630 20 0 EHADRM Cc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])nn1C(F)F ZINC000436973568 1021430560 /nfs/dbraw/zinc/43/05/60/1021430560.db2.gz YHJULUHHJPZNRV-UHFFFAOYSA-N -1 0 336.125 3.851 20 0 EHADRM O=C(Nc1ccnn1-c1cccc(Cl)c1)c1c([O-])cccc1F ZINC000436989324 1021444905 /nfs/dbraw/zinc/44/49/05/1021444905.db2.gz OCQSHBWNYRAJRB-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM COC(=O)c1cccc2c(Nc3ccc(C(=O)[O-])cc3C)ccnc12 ZINC001211621074 1032979900 /nfs/dbraw/zinc/97/99/00/1032979900.db2.gz VPKOFAYUBXISAK-UHFFFAOYSA-N -1 0 336.347 3.772 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)C1(c2cccs2)CCCCC1 ZINC000659236443 1021456203 /nfs/dbraw/zinc/45/62/03/1021456203.db2.gz GEEQKUCJTFRJRZ-DYVFJYSZSA-N -1 0 335.469 3.710 20 0 EHADRM O=C(NCc1c(F)cccc1Cl)c1cc(F)c([O-])c(Cl)c1 ZINC000437005371 1021461172 /nfs/dbraw/zinc/46/11/72/1021461172.db2.gz OSCWJIGJYNOAMF-UHFFFAOYSA-N -1 0 332.133 3.907 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)NCC1CCC(F)(F)CC1)C1CCCCC1 ZINC000507712274 1021464718 /nfs/dbraw/zinc/46/47/18/1021464718.db2.gz ALHNOFMQUCLTHV-QGZVFWFLSA-N -1 0 345.430 3.989 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)C2(C(F)(F)F)CCCCC2)cc1F ZINC000516492042 1021472450 /nfs/dbraw/zinc/47/24/50/1021472450.db2.gz DSKCKVHDRQDXHR-UHFFFAOYSA-N -1 0 347.308 3.904 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)C1(c2ccccc2Cl)CCC1 ZINC000659241663 1021560256 /nfs/dbraw/zinc/56/02/56/1021560256.db2.gz JLZPKVRHCSWVJW-RHSMWYFYSA-N -1 0 335.831 3.521 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CCCc1ccc(F)cc1 ZINC000516584351 1021572925 /nfs/dbraw/zinc/57/29/25/1021572925.db2.gz WRYWKFOSWWITQE-UHFFFAOYSA-N -1 0 329.371 3.505 20 0 EHADRM CCC(C)(C)c1ccc(CNC(=O)N(CC(=O)[O-])C2CCC2)cc1 ZINC000519637706 1021590404 /nfs/dbraw/zinc/59/04/04/1021590404.db2.gz HDXUSAPQYKYTSI-UHFFFAOYSA-N -1 0 332.444 3.523 20 0 EHADRM CN(CCc1cccs1)C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000519654576 1021600660 /nfs/dbraw/zinc/60/06/60/1021600660.db2.gz TXEJXXJPCXIRHT-UHFFFAOYSA-N -1 0 329.343 3.787 20 0 EHADRM Cc1nc(C)c([C@H](C)N(C)C(=O)CC2CCC(C(=O)[O-])CC2)s1 ZINC000581728661 1021631801 /nfs/dbraw/zinc/63/18/01/1021631801.db2.gz QLFDOEXTPXRMJI-XGNXJENSSA-N -1 0 338.473 3.560 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2nnc(C(CC)CC)s2)c1 ZINC000437197291 1021648693 /nfs/dbraw/zinc/64/86/93/1021648693.db2.gz XGTPSTIWSQOEBT-UHFFFAOYSA-N -1 0 339.486 3.805 20 0 EHADRM Cc1cc(OCc2ccccc2)ccc1[N-]S(=O)(=O)c1ccoc1 ZINC000506661841 1021667727 /nfs/dbraw/zinc/66/77/27/1021667727.db2.gz JSMLCIPMHSTXLE-UHFFFAOYSA-N -1 0 343.404 3.968 20 0 EHADRM O=C([O-])CCCCNC(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000669499486 1032999339 /nfs/dbraw/zinc/99/93/39/1032999339.db2.gz FUCTWWHWGDLZFY-UHFFFAOYSA-N -1 0 334.416 3.775 20 0 EHADRM Cc1cc(C)c(CNC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)c(C)c1 ZINC000519893907 1021754510 /nfs/dbraw/zinc/75/45/10/1021754510.db2.gz JHIQYWHKSHIFCW-OAQYLSRUSA-N -1 0 339.435 3.661 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000519018608 1021773657 /nfs/dbraw/zinc/77/36/57/1021773657.db2.gz RSJDXKPTJWHGBT-UHFFFAOYSA-N -1 0 346.349 3.756 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cn1)c1c(Cl)ccc2ccccc21 ZINC000439882562 1021795318 /nfs/dbraw/zinc/79/53/18/1021795318.db2.gz JUGBBAJNJVJDBT-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM Cc1cc(Cl)ccc1NC(=O)CSc1n[n-]c(=S)s1 ZINC000080501657 1021816048 /nfs/dbraw/zinc/81/60/48/1021816048.db2.gz AVNXMBXMGFEMCS-UHFFFAOYSA-N -1 0 331.875 3.519 20 0 EHADRM CCCOCc1ccccc1CNC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000581826537 1021816118 /nfs/dbraw/zinc/81/61/18/1021816118.db2.gz HAYSLECSAYNEKT-UHFFFAOYSA-N -1 0 347.455 3.511 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1nc(C)c(C(F)(F)F)s1 ZINC000519070745 1021828626 /nfs/dbraw/zinc/82/86/26/1021828626.db2.gz GEALGBRSSCGHLW-UHFFFAOYSA-N -1 0 342.389 3.641 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)c2cc(Cl)ccc2C)C(=O)[O-])cc1 ZINC000439940571 1021834269 /nfs/dbraw/zinc/83/42/69/1021834269.db2.gz LUANPTZKFSLQPK-MRXNPFEDSA-N -1 0 331.799 3.555 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000516929696 1021860546 /nfs/dbraw/zinc/86/05/46/1021860546.db2.gz LHVWODAWYJCXCT-OBHHBEAMSA-N -1 0 329.440 3.672 20 0 EHADRM C[C@]12CC3CC(C(=O)N4C[C@@H]5CCC[C@]5(C(=O)[O-])C4)(C1)C[C@@](C)(C3)C2 ZINC000341440244 1021901501 /nfs/dbraw/zinc/90/15/01/1021901501.db2.gz XVQLCQOMHLVCBH-ZTRZJILBSA-N -1 0 345.483 3.696 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N2CCC3(C2)CCCCC3)s1 ZINC000437577815 1021963504 /nfs/dbraw/zinc/96/35/04/1021963504.db2.gz NCXPUYIWEZJWCM-UHFFFAOYSA-N -1 0 336.505 3.881 20 0 EHADRM Cc1cccc(C)c1[N-]S(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000188265805 1021977084 /nfs/dbraw/zinc/97/70/84/1021977084.db2.gz ZCUDKKHRJOSVET-UHFFFAOYSA-N -1 0 339.420 3.561 20 0 EHADRM CC(C)C[C@@H]1CCCCCN1C(=O)CSc1n[n-]c(=S)s1 ZINC000081826068 1021985504 /nfs/dbraw/zinc/98/55/04/1021985504.db2.gz HYQDJPIZUXLZNT-NSHDSACASA-N -1 0 345.559 3.736 20 0 EHADRM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000506794494 1022027328 /nfs/dbraw/zinc/02/73/28/1022027328.db2.gz ISWBDFLQJYPPQK-UHFFFAOYSA-N -1 0 349.452 3.839 20 0 EHADRM O=S(=O)([N-]c1ccc(Sc2ccncc2)cc1)c1ccco1 ZINC000437667339 1022040206 /nfs/dbraw/zinc/04/02/06/1022040206.db2.gz IFBHUESMQVGAGR-UHFFFAOYSA-N -1 0 332.406 3.627 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc2ccccc2s1)c1cccs1 ZINC000238003814 1033027797 /nfs/dbraw/zinc/02/77/97/1033027797.db2.gz RTJZBDYWENKRKP-NSHDSACASA-N -1 0 331.418 3.909 20 0 EHADRM CC[C@@H]1CCc2nc([N-]S(=O)(=O)c3ccsc3)sc2C1 ZINC000506824568 1022116040 /nfs/dbraw/zinc/11/60/40/1022116040.db2.gz XVVYIAFNTCNNHS-SECBINFHSA-N -1 0 328.484 3.520 20 0 EHADRM CCOc1cc(Cl)ccc1CN=c1nc(C(F)(F)F)[n-]s1 ZINC000574301575 1033033620 /nfs/dbraw/zinc/03/36/20/1033033620.db2.gz OYDNZXNVVWVVBR-UHFFFAOYSA-N -1 0 337.754 3.643 20 0 EHADRM CCc1nc(CNCc2cccc(Cl)c2Cl)ccc1C(=O)[O-] ZINC000426652211 1022159079 /nfs/dbraw/zinc/15/90/79/1022159079.db2.gz RDRCGZLPORCAME-UHFFFAOYSA-N -1 0 339.222 3.939 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)C1(c2ccccc2)CCC1 ZINC000440406524 1022168670 /nfs/dbraw/zinc/16/86/70/1022168670.db2.gz MCYDMJQGUVCIFJ-UHFFFAOYSA-N -1 0 329.403 3.626 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N[C@H]1CCC[C@]1(C)C(=O)[O-] ZINC000659239437 1022191933 /nfs/dbraw/zinc/19/19/33/1022191933.db2.gz LPEOFERAELZWIN-GUYCJALGSA-N -1 0 335.400 3.722 20 0 EHADRM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccccc2SC)c1 ZINC000188414316 1022227238 /nfs/dbraw/zinc/22/72/38/1022227238.db2.gz QMNAQUFZNLWCIX-LBPRGKRZSA-N -1 0 337.466 3.917 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1cc(Cl)ccc1O ZINC000188423507 1022227619 /nfs/dbraw/zinc/22/76/19/1022227619.db2.gz ZCMKWGJRMFJOJO-UHFFFAOYSA-N -1 0 329.830 3.568 20 0 EHADRM CC[C@H](c1n[n-]c(=NC(=O)N2C[C@H](C)[C@H](C)C2)s1)c1ccccc1 ZINC000438017855 1022325208 /nfs/dbraw/zinc/32/52/08/1022325208.db2.gz XWKBWLOPSBLKNM-GUTXKFCHSA-N -1 0 344.484 3.622 20 0 EHADRM COc1cc(C(=O)[O-])cc(NCc2coc3ccccc23)c1OC ZINC000340674985 1022458678 /nfs/dbraw/zinc/45/86/78/1022458678.db2.gz NNZKRFHQIMTAAH-UHFFFAOYSA-N -1 0 327.336 3.760 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C[C@H]1C(=O)[O-] ZINC000517567779 1022464420 /nfs/dbraw/zinc/46/44/20/1022464420.db2.gz RASVZKIWZZGAIX-WCQYABFASA-N -1 0 347.798 3.783 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N2CCCC[C@H]2CCC(C)C)s1 ZINC000473681207 1022475980 /nfs/dbraw/zinc/47/59/80/1022475980.db2.gz KVERDLLEJIYCNV-LBPRGKRZSA-N -1 0 342.534 3.895 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2csc3ccccc32)no1 ZINC000506849826 1022548599 /nfs/dbraw/zinc/54/85/99/1022548599.db2.gz UQOMUKIWZFTPOO-UHFFFAOYSA-N -1 0 336.438 3.988 20 0 EHADRM O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1c([O-])cccc1F ZINC000187889663 1022613861 /nfs/dbraw/zinc/61/38/61/1022613861.db2.gz NIDCMXCUUPPZLV-UHFFFAOYSA-N -1 0 339.326 3.711 20 0 EHADRM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)N=c2nc(-c3ccccc3)[n-]s2)C1 ZINC000473767643 1022696383 /nfs/dbraw/zinc/69/63/83/1022696383.db2.gz UKQCYSYFLWDLJZ-AGIUHOORSA-N -1 0 330.457 3.525 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(Cl)c2[O-])c(C)n1[C@@H]1CCOC1 ZINC000528904374 1033075193 /nfs/dbraw/zinc/07/51/93/1033075193.db2.gz JWLYXDWBXXRWLR-GFCCVEGCSA-N -1 0 334.803 3.678 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])[S@@](=O)Cc1ccccc1OCc1ccccc1 ZINC000593931935 1033080004 /nfs/dbraw/zinc/08/00/04/1033080004.db2.gz QLUYKHFPWGUXFR-UUOWRZLLSA-N -1 0 346.448 3.624 20 0 EHADRM CCC(CC)(CC(=O)NC[C@H](C)Oc1ccc(Cl)cc1)C(=O)[O-] ZINC000430903638 1022856887 /nfs/dbraw/zinc/85/68/87/1022856887.db2.gz KAHPHJSRFKBKJV-LBPRGKRZSA-N -1 0 341.835 3.505 20 0 EHADRM CCOCc1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1 ZINC000438727524 1022946160 /nfs/dbraw/zinc/94/61/60/1022946160.db2.gz WRLYZJGPOCZTMV-UHFFFAOYSA-N -1 0 342.420 3.572 20 0 EHADRM CO[C@H](C)c1nc(=NCC(C)(C)c2c(F)cccc2Cl)s[n-]1 ZINC000509547640 1023024306 /nfs/dbraw/zinc/02/43/06/1023024306.db2.gz ASDFONXPJOCPBR-SECBINFHSA-N -1 0 343.855 3.850 20 0 EHADRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1nccn1-c1ccccc1 ZINC000430670083 1023033086 /nfs/dbraw/zinc/03/30/86/1023033086.db2.gz LXGFWYPIFNSVJZ-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM CCCSC[C@H](NCc1ccc(Oc2ccccc2)o1)C(=O)[O-] ZINC000426771565 1023035490 /nfs/dbraw/zinc/03/54/90/1023035490.db2.gz DEXYFXGGAXPVNA-HNNXBMFYSA-N -1 0 335.425 3.758 20 0 EHADRM O=C([O-])[C@@H](NCc1ccc(F)cc1Br)c1cccs1 ZINC000426795934 1023052745 /nfs/dbraw/zinc/05/27/45/1023052745.db2.gz ZQQXYMGBXNYYNY-LBPRGKRZSA-N -1 0 344.205 3.565 20 0 EHADRM O=C([O-])[C@H](NCc1ccc(Oc2ccccc2)o1)c1ccc(O)cc1 ZINC000426808329 1023059306 /nfs/dbraw/zinc/05/93/06/1023059306.db2.gz LQPFLZULKQPWAC-GOSISDBHSA-N -1 0 339.347 3.693 20 0 EHADRM CCc1ccc(-c2ccc(CN[C@H](Cc3ccco3)C(=O)[O-])o2)cc1 ZINC000426812279 1023062141 /nfs/dbraw/zinc/06/21/41/1023062141.db2.gz XRKTXLYLCNMSEG-GOSISDBHSA-N -1 0 339.391 3.888 20 0 EHADRM Cc1cc(C)cc([N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)c1 ZINC000430977465 1023064771 /nfs/dbraw/zinc/06/47/71/1023064771.db2.gz WWEVVSZJNHAMGF-UHFFFAOYSA-N -1 0 333.306 3.661 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1 ZINC000430980539 1023074416 /nfs/dbraw/zinc/07/44/16/1023074416.db2.gz ZZPOHHFJHHXSER-UHFFFAOYSA-N -1 0 333.306 3.606 20 0 EHADRM O=C([O-])[C@@H](NCc1csc(-c2ccc(F)cc2)n1)c1ccsc1 ZINC000426838192 1023074534 /nfs/dbraw/zinc/07/45/34/1023074534.db2.gz ZQPSWXJDDCFWIV-AWEZNQCLSA-N -1 0 348.424 3.926 20 0 EHADRM COc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000507014541 1023078280 /nfs/dbraw/zinc/07/82/80/1023078280.db2.gz WVPJBELSSYFMBB-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(C)cc3cccnc32)c(F)c1 ZINC000507021639 1023078871 /nfs/dbraw/zinc/07/88/71/1023078871.db2.gz OPGGUULXDIRBOL-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM C[C@@H]1C[C@@H](C)N1Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000548424393 1023085535 /nfs/dbraw/zinc/08/55/35/1023085535.db2.gz DHTYYDOTYYCEQP-GHMZBOCLSA-N -1 0 343.427 3.773 20 0 EHADRM Fc1ccc(Oc2ccnc(CN=c3nc(C4CC4)[n-]s3)c2)cc1 ZINC000426887681 1023101561 /nfs/dbraw/zinc/10/15/61/1023101561.db2.gz YPOIPAVXLALPET-UHFFFAOYSA-N -1 0 342.399 3.776 20 0 EHADRM Cn1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2-c2ccccc2)cn1 ZINC000190080682 1023160680 /nfs/dbraw/zinc/16/06/80/1023160680.db2.gz SMDUQHQRLRTLQX-UHFFFAOYSA-N -1 0 347.827 3.541 20 0 EHADRM O=S(=O)([N-]c1noc2ccccc21)c1ccc(C(F)(F)F)cc1 ZINC000438983474 1023193435 /nfs/dbraw/zinc/19/34/35/1023193435.db2.gz HPWYRGHGVCNIIA-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1c1ncnc2scc(-c3ccccc3)c21 ZINC000392080344 1023203116 /nfs/dbraw/zinc/20/31/16/1023203116.db2.gz LGDFNYIBVMOBQJ-ZDUSSCGKSA-N -1 0 339.420 3.802 20 0 EHADRM CCCCCC[C@](C)(NC(=O)[C@@H]1CCOC2(CCCC2)C1)C(=O)[O-] ZINC000909433328 1023216480 /nfs/dbraw/zinc/21/64/80/1023216480.db2.gz YAVIMYFENUUCQZ-QAPCUYQASA-N -1 0 339.476 3.656 20 0 EHADRM CSc1ccccc1C(=O)N[C@H](CC(=O)[O-])c1ccccc1C ZINC000507281070 1023229159 /nfs/dbraw/zinc/22/91/59/1023229159.db2.gz GBOANMMCDCZCOO-OAHLLOKOSA-N -1 0 329.421 3.663 20 0 EHADRM C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC000507293557 1023232135 /nfs/dbraw/zinc/23/21/35/1023232135.db2.gz AQGWIQJGQYIUIB-NIKGAXFTSA-N -1 0 337.419 3.984 20 0 EHADRM C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)[C@H]1CC[C@@H]1C(=O)[O-] ZINC000507293555 1023232499 /nfs/dbraw/zinc/23/24/99/1023232499.db2.gz AQGWIQJGQYIUIB-CCKFTAQKSA-N -1 0 337.419 3.984 20 0 EHADRM CCCc1ccc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1 ZINC000729837149 1033116386 /nfs/dbraw/zinc/11/63/86/1033116386.db2.gz RUIRYTOHBPBPRB-UHFFFAOYSA-N -1 0 329.343 3.857 20 0 EHADRM COc1ccc(CN=c2[n-]c(-c3cccc(Cl)c3)no2)cc1F ZINC000593994112 1033116609 /nfs/dbraw/zinc/11/66/09/1033116609.db2.gz BBTPSMKXRFLINJ-UHFFFAOYSA-N -1 0 333.750 3.572 20 0 EHADRM COc1ccc([C@@H](N=c2[n-]nc(C3CC3)o2)c2ccc(F)cc2)cc1 ZINC000341759037 1023271450 /nfs/dbraw/zinc/27/14/50/1023271450.db2.gz SZKGSKSIRZRXJV-KRWDZBQOSA-N -1 0 339.370 3.718 20 0 EHADRM CC[C@](C)(NS(=O)(=O)c1cc(Cl)ccc1C)C(F)(F)F ZINC000548474218 1023422513 /nfs/dbraw/zinc/42/25/13/1023422513.db2.gz GDCIDTQEQYTEGJ-NSHDSACASA-N -1 0 329.771 3.658 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCc2cccc(C(F)(F)F)c2)cc1 ZINC000431186750 1023445631 /nfs/dbraw/zinc/44/56/31/1023445631.db2.gz JPDQLCPNBKGPLI-UHFFFAOYSA-N -1 0 337.297 3.975 20 0 EHADRM CC(C)c1ccc(S(=O)(=O)[N-]c2cnn([C@@H](C)C3CC3)c2)cc1 ZINC000187739163 1023522046 /nfs/dbraw/zinc/52/20/46/1023522046.db2.gz OOVRCOHMLPAOLV-ZDUSSCGKSA-N -1 0 333.457 3.778 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cnn([C@@H](C)C3CC3)c2)c1 ZINC000187741801 1023526598 /nfs/dbraw/zinc/52/65/98/1023526598.db2.gz OSOCYUNRTLXDNA-ZDUSSCGKSA-N -1 0 333.457 3.778 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000607434661 1033141306 /nfs/dbraw/zinc/14/13/06/1033141306.db2.gz IPDSFQRWHUEATR-GJZGRUSLSA-N -1 0 341.455 3.819 20 0 EHADRM Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)s1 ZINC000341945729 1023713922 /nfs/dbraw/zinc/71/39/22/1023713922.db2.gz PVJHMAZESSMXRP-UHFFFAOYSA-N -1 0 333.438 3.556 20 0 EHADRM O=C(Nc1cnc(-c2ccccc2)s1)c1cc(=O)c2ccccc2[n-]1 ZINC000535823729 1023789179 /nfs/dbraw/zinc/78/91/79/1023789179.db2.gz CLEYEEGIGSSWSS-UHFFFAOYSA-N -1 0 347.399 3.904 20 0 EHADRM CC(C)(C)n1cc(/C=C\c2nc3ccc(C(=O)[O-])cc3s2)nn1 ZINC000431556089 1033166974 /nfs/dbraw/zinc/16/69/74/1033166974.db2.gz IUBZQNBRSOVEKS-ALCCZGGFSA-N -1 0 328.397 3.511 20 0 EHADRM C/C(=C/C1CCC(C)CC1)C(=O)NCc1nc(C)c(C(=O)[O-])s1 ZINC000909505321 1023958615 /nfs/dbraw/zinc/95/86/15/1023958615.db2.gz XYVSJPOODBMFNR-FLIBITNWSA-N -1 0 336.457 3.539 20 0 EHADRM Cc1ccc(C[C@H](C[NH2+]Cc2ncc(C(C)C)s2)C(=O)[O-])cc1 ZINC000417556217 1024030942 /nfs/dbraw/zinc/03/09/42/1024030942.db2.gz GEZGXUSAVKLQLG-OAHLLOKOSA-N -1 0 332.469 3.608 20 0 EHADRM Cc1nc([C@H](C)NC(=O)c2ccc(C)cc2Cl)sc1C(=O)[O-] ZINC000909508347 1024047801 /nfs/dbraw/zinc/04/78/01/1024047801.db2.gz TYHKYANNTNURHD-VIFPVBQESA-N -1 0 338.816 3.603 20 0 EHADRM C[C@@H](N=c1nc(C2CC2)[n-]s1)c1ccc(Br)s1 ZINC000443500149 1024050940 /nfs/dbraw/zinc/05/09/40/1024050940.db2.gz LZHWIVNUDIUURU-ZCFIWIBFSA-N -1 0 330.276 3.835 20 0 EHADRM CCOc1c(Cl)cccc1CNCc1ccc(C(=O)[O-])c(CC)n1 ZINC000417565312 1024076795 /nfs/dbraw/zinc/07/67/95/1024076795.db2.gz LUIYEFUAUXJHTP-UHFFFAOYSA-N -1 0 348.830 3.684 20 0 EHADRM Cc1c(C(=O)[O-])cncc1-c1cc(F)ccc1OC[C@H]1CCCCO1 ZINC000657204855 1024085154 /nfs/dbraw/zinc/08/51/54/1024085154.db2.gz STSMTAFUKIJBFW-CQSZACIVSA-N -1 0 345.370 3.842 20 0 EHADRM COCC[C@H](Cc1cccc(-c2ccc3[nH]nc(C)c3c2)c1)C(=O)[O-] ZINC000657203415 1024086457 /nfs/dbraw/zinc/08/64/57/1024086457.db2.gz WCDXMCWLOXZKMW-QGZVFWFLSA-N -1 0 338.407 3.818 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)s1 ZINC000443873248 1024087969 /nfs/dbraw/zinc/08/79/69/1024087969.db2.gz BHQZPPKAJMZCIN-ZWNOBZJWSA-N -1 0 348.497 3.832 20 0 EHADRM Cn1nc(C(F)(F)F)cc1-c1ccccc1SCCC(=O)[O-] ZINC000657205843 1024094538 /nfs/dbraw/zinc/09/45/38/1024094538.db2.gz MLFMZSHILOTHHO-UHFFFAOYSA-N -1 0 330.331 3.673 20 0 EHADRM Cc1cc(-c2ccc(F)cc2CCC(=O)[O-])ccc1O[C@@H]1CCOC1 ZINC000657204761 1024097011 /nfs/dbraw/zinc/09/70/11/1024097011.db2.gz DXYNZQYUIOIQJY-QGZVFWFLSA-N -1 0 344.382 3.986 20 0 EHADRM CC(C)(C)c1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c(O)c1 ZINC000443532247 1024108257 /nfs/dbraw/zinc/10/82/57/1024108257.db2.gz RWLJTPPINNYZBM-UHFFFAOYSA-N -1 0 341.379 3.769 20 0 EHADRM CCc1ccc([C@H](NCc2cnc(C3CCC3)s2)C(=O)[O-])cc1 ZINC000417592756 1024119948 /nfs/dbraw/zinc/11/99/48/1024119948.db2.gz ZDKDIMZSASGITK-INIZCTEOSA-N -1 0 330.453 3.889 20 0 EHADRM COc1cccc([C@@H](C)NC(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)c1 ZINC000522622535 1024122654 /nfs/dbraw/zinc/12/26/54/1024122654.db2.gz YGWMKBIRMHXHDF-VLIAUNLRSA-N -1 0 347.455 3.934 20 0 EHADRM Cc1ccc(O[C@H](C)C(=O)[O-])c(-c2cncc(C(F)(F)F)c2)c1 ZINC000657206335 1024127845 /nfs/dbraw/zinc/12/78/45/1024127845.db2.gz KORQJGGTVYULKW-SNVBAGLBSA-N -1 0 325.286 3.928 20 0 EHADRM COc1cc(OC)cc(-c2cccc(C(=O)C[C@H](C)C(=O)[O-])c2)c1 ZINC000657208102 1024128690 /nfs/dbraw/zinc/12/86/90/1024128690.db2.gz OVWDWQJZUNASKT-LBPRGKRZSA-N -1 0 328.364 3.664 20 0 EHADRM COCC[C@H](Cc1cccc(-c2cncc(C(F)F)c2)c1)C(=O)[O-] ZINC000657206673 1024128870 /nfs/dbraw/zinc/12/88/70/1024128870.db2.gz YTXVBPYQJIYMBC-CQSZACIVSA-N -1 0 335.350 3.966 20 0 EHADRM COc1ccc(-c2ccc3c(c2)CCCO3)cc1C(=O)CCC(=O)[O-] ZINC000657206405 1024129125 /nfs/dbraw/zinc/12/91/25/1024129125.db2.gz JOFQDHQSFCJSNY-UHFFFAOYSA-N -1 0 340.375 3.735 20 0 EHADRM CCCOc1c(OC)cc(C(=O)[O-])cc1-c1cc(C)ccc1CO ZINC000657207373 1024130541 /nfs/dbraw/zinc/13/05/41/1024130541.db2.gz OWPXKVNMSMRAIB-UHFFFAOYSA-N -1 0 330.380 3.650 20 0 EHADRM COCCCOc1ccc(-c2cccc(SCC(=O)[O-])c2)cc1 ZINC000657207292 1024130608 /nfs/dbraw/zinc/13/06/08/1024130608.db2.gz MOLBXZXAHTZFFE-UHFFFAOYSA-N -1 0 332.421 3.946 20 0 EHADRM COCCCOc1ccc(-c2ccc3onc(CC(=O)[O-])c3c2)cc1 ZINC000657207393 1024131421 /nfs/dbraw/zinc/13/14/21/1024131421.db2.gz PFBPRBPJXDTTAA-UHFFFAOYSA-N -1 0 341.363 3.537 20 0 EHADRM O=S(=O)(C=C([O-])c1ccc(F)cc1)c1ccccc1C(F)(F)F ZINC000323774768 1024213646 /nfs/dbraw/zinc/21/36/46/1024213646.db2.gz APXLDVVCZILHGV-UHFFFAOYSA-N -1 0 346.301 3.501 20 0 EHADRM CC(C)C[C@@](C)(CC(=O)[O-])C(=O)Nc1cccc(NC(=O)C(C)C)c1 ZINC000634817172 1024268087 /nfs/dbraw/zinc/26/80/87/1024268087.db2.gz RAVMVOIIDLONKM-IBGZPJMESA-N -1 0 348.443 3.747 20 0 EHADRM CC[C@H](C)c1cc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)on1 ZINC000191409831 1024301764 /nfs/dbraw/zinc/30/17/64/1024301764.db2.gz SUXLXGFCRFSVRV-RYUDHWBXSA-N -1 0 330.384 3.704 20 0 EHADRM CO[C@](C)(C(=O)Nc1cc(F)cc(Cl)c1[O-])c1ccccc1F ZINC000430076618 1024336015 /nfs/dbraw/zinc/33/60/15/1024336015.db2.gz NFTXTPRVTKAYQH-INIZCTEOSA-N -1 0 341.741 3.824 20 0 EHADRM O=c1ccn(-c2ccc(Nc3cnc(Br)s3)cc2)[n-]1 ZINC001216269877 1024389655 /nfs/dbraw/zinc/38/96/55/1024389655.db2.gz ABKCRBFCRNKTDL-UHFFFAOYSA-N -1 0 337.202 3.541 20 0 EHADRM C[C@@H](N=c1ccc(N(Cc2ccccn2)C2CC2)n[nH]1)c1ccccc1 ZINC000425197144 1024433987 /nfs/dbraw/zinc/43/39/87/1024433987.db2.gz AVCAAMUMUNXGKA-MRXNPFEDSA-N -1 0 345.450 3.636 20 0 EHADRM COCCN=c1[n-]nc(SCCc2ccc3ccccc3c2)s1 ZINC000511012749 1024455931 /nfs/dbraw/zinc/45/59/31/1024455931.db2.gz JQTYZIPIKJCTFY-UHFFFAOYSA-N -1 0 345.493 3.506 20 0 EHADRM CN(Cc1ccccc1)C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1Cl ZINC000548567556 1024487549 /nfs/dbraw/zinc/48/75/49/1024487549.db2.gz AIPPWELVOPDLJD-MRXNPFEDSA-N -1 0 346.814 3.650 20 0 EHADRM O=C([O-])c1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)c(Cl)c1 ZINC000342256228 1024581755 /nfs/dbraw/zinc/58/17/55/1024581755.db2.gz YYPLEYUSSVLDQL-MRXNPFEDSA-N -1 0 342.782 3.767 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N(Cc1ccco1)C1CCCC1 ZINC000262134450 1024593681 /nfs/dbraw/zinc/59/36/81/1024593681.db2.gz HTXSPXCHUYUYRJ-UHFFFAOYSA-N -1 0 341.407 3.882 20 0 EHADRM FC(F)c1n[n-]c(=NCc2c[nH]nc2-c2ccc(Cl)cc2)s1 ZINC000346298618 1024614897 /nfs/dbraw/zinc/61/48/97/1024614897.db2.gz AEAIWALGVJDKON-UHFFFAOYSA-N -1 0 341.774 3.553 20 0 EHADRM COc1cc(NS(=O)(=O)C2=CCCCC2)c(OC)cc1Cl ZINC000281130957 1024682473 /nfs/dbraw/zinc/68/24/73/1024682473.db2.gz JCEDMLLWQWMEOJ-UHFFFAOYSA-N -1 0 331.821 3.557 20 0 EHADRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(F)cc2)c1C1CC1 ZINC000536497399 1024688698 /nfs/dbraw/zinc/68/86/98/1024688698.db2.gz LULPYHCMFOYKPP-NSHDSACASA-N -1 0 337.420 3.671 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)NCc1ccc(Cl)cc1Cl ZINC000684710503 1024842906 /nfs/dbraw/zinc/84/29/06/1024842906.db2.gz JULZFIPITNWTQC-ZDUSSCGKSA-N -1 0 347.242 3.634 20 0 EHADRM Cc1cc(Nc2ccc(OCC(F)(F)F)nc2)cc(C(=O)[O-])c1 ZINC001211537312 1024889049 /nfs/dbraw/zinc/88/90/49/1024889049.db2.gz CRTCIYGYLMXDQW-UHFFFAOYSA-N -1 0 326.274 3.773 20 0 EHADRM C/C(=C\c1cccc(Cl)c1)C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000759279708 1024895499 /nfs/dbraw/zinc/89/54/99/1024895499.db2.gz ZWKNHVGLGZJEKL-ZRDIBKRKSA-N -1 0 341.860 3.522 20 0 EHADRM Cc1cc(Cl)c(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1Cl ZINC000399078763 1024914233 /nfs/dbraw/zinc/91/42/33/1024914233.db2.gz SOIHBXWYMCWERY-WCBMZHEXSA-N -1 0 345.226 3.876 20 0 EHADRM O=C(Cc1ccc(OC(F)F)cc1)Nc1cc(F)cc(Cl)c1[O-] ZINC000474425128 1024941709 /nfs/dbraw/zinc/94/17/09/1024941709.db2.gz DRELSAROBOFTTA-UHFFFAOYSA-N -1 0 345.704 3.967 20 0 EHADRM Cn1nc(-c2nc(-c3ccc4[n-]c(=S)sc4c3)no2)cc1Cl ZINC001213084098 1025007694 /nfs/dbraw/zinc/00/76/94/1025007694.db2.gz JIPFDQSSYYOJLD-UHFFFAOYSA-N -1 0 349.828 3.689 20 0 EHADRM COc1ccc2nc(C)cc(C(=O)Nc3cc(C(=O)[O-])cs3)c2c1 ZINC000515115645 1025029263 /nfs/dbraw/zinc/02/92/63/1025029263.db2.gz CFDFVLBMDGXMND-UHFFFAOYSA-N -1 0 342.376 3.564 20 0 EHADRM c1ccc(-c2n[n-]c(=NC[C@H]3CCO[C@@H]3c3ccccc3)s2)cc1 ZINC000428197785 1025039956 /nfs/dbraw/zinc/03/99/56/1025039956.db2.gz AZUSQOBTFWVEOO-IAGOWNOFSA-N -1 0 337.448 3.817 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2CCOc3ccccc32)cc(C(=O)[O-])c1C ZINC000324333307 1025049277 /nfs/dbraw/zinc/04/92/77/1025049277.db2.gz KSDOMUDISJHOOI-OAHLLOKOSA-N -1 0 325.364 3.506 20 0 EHADRM O=c1[n-]cnc(O[C@H](c2ccccc2)C(F)(F)F)c1Br ZINC001226718626 1025089257 /nfs/dbraw/zinc/08/92/57/1025089257.db2.gz ASTONHBRHAXYSU-SECBINFHSA-N -1 0 349.106 3.627 20 0 EHADRM Cc1sc(CCN=c2[n-]nc(C(C)C)o2)nc1-c1ccccc1 ZINC000515206054 1025090853 /nfs/dbraw/zinc/09/08/53/1025090853.db2.gz NRFCWZCKHLDBHR-UHFFFAOYSA-N -1 0 328.441 3.701 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N[C@@H](CC(F)(F)F)c2ccccc2)CC1 ZINC000435719825 1025103735 /nfs/dbraw/zinc/10/37/35/1025103735.db2.gz QYBJYLPBOGMDCI-IHRRRGAJSA-N -1 0 343.345 3.687 20 0 EHADRM Cc1cc(C(=O)NC[C@H](C)CC(=O)[O-])sc1-c1ccc(F)cc1 ZINC000262254261 1025108933 /nfs/dbraw/zinc/10/89/33/1025108933.db2.gz SQKFOIXRRJYOHE-SNVBAGLBSA-N -1 0 335.400 3.703 20 0 EHADRM C[C@@H](CNC(=O)c1ccc(SCc2ccccc2)cc1)CC(=O)[O-] ZINC000262255764 1025141854 /nfs/dbraw/zinc/14/18/54/1025141854.db2.gz SVOADDGDWCJWPF-CQSZACIVSA-N -1 0 343.448 3.820 20 0 EHADRM C[C@H](NC(=O)N1CCCCC[C@@H]1C(=O)[O-])c1c(F)cccc1Cl ZINC000684739288 1025155859 /nfs/dbraw/zinc/15/58/59/1025155859.db2.gz KJKRSRQTYQDGNZ-GXFFZTMASA-N -1 0 342.798 3.579 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC000909475047 1025165494 /nfs/dbraw/zinc/16/54/94/1025165494.db2.gz FRRJIKGMDFKKQZ-ALOPSCKCSA-N -1 0 347.480 3.554 20 0 EHADRM Cc1cc(C)nc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1 ZINC000435899511 1025201459 /nfs/dbraw/zinc/20/14/59/1025201459.db2.gz VLPNBDLJQJJOEG-UHFFFAOYSA-N -1 0 349.214 3.945 20 0 EHADRM O=S(=O)([N-]c1ccc2ccccc2n1)c1c(F)cccc1Cl ZINC000444047682 1025201549 /nfs/dbraw/zinc/20/15/49/1025201549.db2.gz FUKPTFOKKDMUMU-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N[C@@H](CC2CC2)C(=O)[O-])cc1Cl ZINC000684745440 1025212502 /nfs/dbraw/zinc/21/25/02/1025212502.db2.gz ZFBLPNCGWNCKLB-ZDUSSCGKSA-N -1 0 340.807 3.502 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N[C@H](C)c2cccc(C)c2C)s1 ZINC000522456300 1025217096 /nfs/dbraw/zinc/21/70/96/1025217096.db2.gz OXQSODYZAZFJTL-LLVKDONJSA-N -1 0 336.486 3.572 20 0 EHADRM CCOc1cc(-c2noc([C@@](C)(O)C3CCC3)n2)cc(Cl)c1O ZINC000896205552 1025237271 /nfs/dbraw/zinc/23/72/71/1025237271.db2.gz RXKLXJHDFVWEGD-INIZCTEOSA-N -1 0 338.791 3.502 20 0 EHADRM O=C([O-])C1(CC(=O)NCc2c(F)cccc2Cl)CCCCCC1 ZINC000521163296 1025242502 /nfs/dbraw/zinc/24/25/02/1025242502.db2.gz XJDAFNVTZSJLCE-UHFFFAOYSA-N -1 0 341.810 3.911 20 0 EHADRM Cc1c(Cl)cc(NC(=O)N2CCC[C@@]2(C)C(=O)[O-])cc1Cl ZINC000684747994 1025246968 /nfs/dbraw/zinc/24/69/68/1025246968.db2.gz YBVXXFLFHWPPOH-AWEZNQCLSA-N -1 0 331.199 3.773 20 0 EHADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000436048010 1025331204 /nfs/dbraw/zinc/33/12/04/1025331204.db2.gz DNTWCLYAWNJZHF-UHFFFAOYSA-N -1 0 349.305 3.654 20 0 EHADRM CO[C@@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2O)[C@@H](C)C1 ZINC000281694229 1025382210 /nfs/dbraw/zinc/38/22/10/1025382210.db2.gz GJBQGCSABUCCDE-GOEBONIOSA-N -1 0 341.407 3.824 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cccn2)c1 ZINC000515633535 1025425838 /nfs/dbraw/zinc/42/58/38/1025425838.db2.gz JXOQDPDCJZXEOW-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM CCCc1nc(C)c([N-]S(=O)(=O)c2ccccc2SC)s1 ZINC000436161280 1025425975 /nfs/dbraw/zinc/42/59/75/1025425975.db2.gz KIWSDNFYFREODP-UHFFFAOYSA-N -1 0 342.511 3.927 20 0 EHADRM CCc1ncc(S(=O)(=O)[N-]c2cccc(C(C)(F)F)c2)s1 ZINC000436164280 1025428011 /nfs/dbraw/zinc/42/80/11/1025428011.db2.gz ZGWANPJLNHFKEK-UHFFFAOYSA-N -1 0 332.397 3.618 20 0 EHADRM CCC[C@H](C(=O)[O-])[S@@](=O)[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000574496714 1033282783 /nfs/dbraw/zinc/28/27/83/1033282783.db2.gz REWKSSNPXMMTAL-OYCZDWQUSA-N -1 0 338.347 3.648 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cc(C)cs2)cc1OC(C)C ZINC000451044730 1025464637 /nfs/dbraw/zinc/46/46/37/1025464637.db2.gz ZTFRUEQWWSCOSI-UHFFFAOYSA-N -1 0 341.454 3.653 20 0 EHADRM CCCCn1ncc([N-]S(=O)(=O)c2ccccc2SC)c1C ZINC000436197238 1025467586 /nfs/dbraw/zinc/46/75/86/1025467586.db2.gz JSSKUUZHBFEFER-UHFFFAOYSA-N -1 0 339.486 3.514 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)cc1Cl ZINC000102818804 1025548769 /nfs/dbraw/zinc/54/87/69/1025548769.db2.gz BEOGPTSZXMHXDP-UHFFFAOYSA-N -1 0 348.207 3.508 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1scnc1C(C)C ZINC000451103458 1025563044 /nfs/dbraw/zinc/56/30/44/1025563044.db2.gz NRAUIABWXGGRLA-UHFFFAOYSA-N -1 0 328.484 3.789 20 0 EHADRM Cc1ccc2oc(SCc3nc(=O)c4sccc4[n-]3)nc2n1 ZINC000342453065 1025581031 /nfs/dbraw/zinc/58/10/31/1025581031.db2.gz UOCDBSIJZWBBKG-UHFFFAOYSA-N -1 0 330.394 3.534 20 0 EHADRM C[C@@H](NC(=O)NC[C@@H](C(=O)[O-])C1CCC1)c1cccc2ccccc21 ZINC000665300955 1025609323 /nfs/dbraw/zinc/60/93/23/1025609323.db2.gz LBXSFFUPGYLZPA-FZKQIMNGSA-N -1 0 340.423 3.701 20 0 EHADRM O=C(Nc1ccc2c(c1)CCCO2)c1ccc(Br)c([O-])c1 ZINC000179159434 1025616722 /nfs/dbraw/zinc/61/67/22/1025616722.db2.gz KVDFQUKLBLSIRM-UHFFFAOYSA-N -1 0 348.196 3.732 20 0 EHADRM CCOCCC1(C(=O)Nc2cccc(CCC(=O)[O-])c2)CCCC1 ZINC000262392918 1025642613 /nfs/dbraw/zinc/64/26/13/1025642613.db2.gz MMSXDAWBSHOJFZ-UHFFFAOYSA-N -1 0 333.428 3.629 20 0 EHADRM C[C@H](CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1Cl)C(=O)[O-] ZINC000261936202 1025729905 /nfs/dbraw/zinc/72/99/05/1025729905.db2.gz KLWSUIFBPJIJMC-SSDOTTSWSA-N -1 0 338.713 3.543 20 0 EHADRM CCCC[C@@H](NC(=O)C1(c2c(Cl)cccc2Cl)CC1)C(=O)[O-] ZINC000347260111 1025753033 /nfs/dbraw/zinc/75/30/33/1025753033.db2.gz KYDKHMNWZNMTBI-GFCCVEGCSA-N -1 0 344.238 3.785 20 0 EHADRM CCCC[C@@H](NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000347270462 1025776407 /nfs/dbraw/zinc/77/64/07/1025776407.db2.gz UFUCFILWXJRHCW-SMDDNHRTSA-N -1 0 345.361 3.959 20 0 EHADRM Cc1[nH]c2ccc(CNC(=O)c3cc(F)c([O-])c(F)c3)cc2c1C ZINC000436527081 1025829856 /nfs/dbraw/zinc/82/98/56/1025829856.db2.gz BWZIXBRWTJOBQI-UHFFFAOYSA-N -1 0 330.334 3.699 20 0 EHADRM CCCCOc1ccc(CCNC(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000436534157 1025844816 /nfs/dbraw/zinc/84/48/16/1025844816.db2.gz KAYSXTDCERAUFW-UHFFFAOYSA-N -1 0 349.377 3.822 20 0 EHADRM COc1ccc(C(=O)NC2CCC(c3ccccc3)CC2)c(O)c1 ZINC000436518412 1025848271 /nfs/dbraw/zinc/84/82/71/1025848271.db2.gz RIYKMDUNGJAZJF-UHFFFAOYSA-N -1 0 325.408 3.857 20 0 EHADRM C[C@@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])c1cc2ccccc2o1 ZINC000216183399 1025861867 /nfs/dbraw/zinc/86/18/67/1025861867.db2.gz QHTKTAKWHLZJNL-CYBMUJFWSA-N -1 0 347.374 3.815 20 0 EHADRM FC(F)(F)Cc1n[n-]c(=NCc2c(Cl)cccc2Cl)s1 ZINC000475057945 1025880735 /nfs/dbraw/zinc/88/07/35/1025880735.db2.gz LEVVCFAJNKDEKL-UHFFFAOYSA-N -1 0 342.173 3.984 20 0 EHADRM Cc1noc(C)c1S(=O)(=O)[N-]c1ncc(C2CCCCC2)s1 ZINC000329462034 1025883346 /nfs/dbraw/zinc/88/33/46/1025883346.db2.gz PYQACAZCAIHQQW-UHFFFAOYSA-N -1 0 341.458 3.596 20 0 EHADRM COCCSc1ccc([C@H](C)NC(=O)c2ccc(F)cc2[O-])cc1 ZINC000436568934 1025897598 /nfs/dbraw/zinc/89/75/98/1025897598.db2.gz XTISNYGODMOWBR-LBPRGKRZSA-N -1 0 349.427 3.761 20 0 EHADRM C[C@H](O)CC(C)(C)CNC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436571098 1025901665 /nfs/dbraw/zinc/90/16/65/1025901665.db2.gz CINZXJSCRDBSAM-NSHDSACASA-N -1 0 335.831 3.726 20 0 EHADRM COCCc1nc2cc(NC(=O)c3ccc(Cl)cc3[O-])ccc2o1 ZINC000436584226 1025924842 /nfs/dbraw/zinc/92/48/42/1025924842.db2.gz LZJVONBKEZGCJR-UHFFFAOYSA-N -1 0 346.770 3.628 20 0 EHADRM O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)c1ccc(F)cc1[O-] ZINC000436626809 1025953380 /nfs/dbraw/zinc/95/33/80/1025953380.db2.gz LGQXYGCCLYJSDJ-MRXNPFEDSA-N -1 0 343.402 3.650 20 0 EHADRM Cc1ccncc1[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000443371629 1025963470 /nfs/dbraw/zinc/96/34/70/1025963470.db2.gz KPYKFOKFDPDYDK-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM CCOCc1ccccc1CNC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436636768 1025966057 /nfs/dbraw/zinc/96/60/57/1025966057.db2.gz SIKJZFZPRBLEPV-UHFFFAOYSA-N -1 0 337.778 3.651 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cnn(C)c2-c2ccccc2)c1 ZINC000436652975 1025979656 /nfs/dbraw/zinc/97/96/56/1025979656.db2.gz RXOVEXHPVFJNIK-UHFFFAOYSA-N -1 0 349.390 3.638 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cncnc2-c2ccccc2)c1 ZINC000436652165 1025981710 /nfs/dbraw/zinc/98/17/10/1025981710.db2.gz KOCDCOJYDHUQRG-UHFFFAOYSA-N -1 0 347.374 3.694 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(Cl)cc3c2OCC3)c1 ZINC000436655182 1025987454 /nfs/dbraw/zinc/98/74/54/1025987454.db2.gz FFPMFOREBFTMFG-UHFFFAOYSA-N -1 0 345.782 3.826 20 0 EHADRM Cc1c(F)cccc1[N-]S(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000443410570 1025991297 /nfs/dbraw/zinc/99/12/97/1025991297.db2.gz NVXFUNZFHOWYGN-UHFFFAOYSA-N -1 0 335.400 3.648 20 0 EHADRM O=S(=O)(c1nc2ccccc2[n-]1)[C@H]1CCc2c1cccc2Cl ZINC000443395268 1025992474 /nfs/dbraw/zinc/99/24/74/1025992474.db2.gz SZUZKLKFLFVZIX-HNNXBMFYSA-N -1 0 332.812 3.678 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C2(c3cccc(OC)c3)CC2)c1 ZINC000436647484 1025997776 /nfs/dbraw/zinc/99/77/76/1025997776.db2.gz QOOQVPGCEGGPAC-UHFFFAOYSA-N -1 0 339.391 3.664 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H](c2ccncc2)C(C)C)c1 ZINC000436657328 1026017092 /nfs/dbraw/zinc/01/70/92/1026017092.db2.gz LFJIUJDZCALKFU-GOSISDBHSA-N -1 0 326.396 3.758 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCSc3ccccc32)c1 ZINC000436679980 1026030159 /nfs/dbraw/zinc/03/01/59/1026030159.db2.gz MMZNTFUVOASGIO-CQSZACIVSA-N -1 0 327.405 3.813 20 0 EHADRM CCOCc1cccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000103059464 1026045684 /nfs/dbraw/zinc/04/56/84/1026045684.db2.gz XGOLDBFGIUWWAX-UHFFFAOYSA-N -1 0 343.807 3.816 20 0 EHADRM COc1ccc(Cl)cc1Cc1noc(-c2ccc(O)cc2F)n1 ZINC000436690887 1026048333 /nfs/dbraw/zinc/04/83/33/1026048333.db2.gz RHMXPPSUUYHPEM-UHFFFAOYSA-N -1 0 334.734 3.834 20 0 EHADRM O=S(=O)(Nc1ccc(-c2cc[nH]n2)cc1)c1cccc(Cl)c1 ZINC000045095895 1026059212 /nfs/dbraw/zinc/05/92/12/1026059212.db2.gz RGVUZRASPZGSST-UHFFFAOYSA-N -1 0 333.800 3.531 20 0 EHADRM O=C(Nc1ccc(N2CCCC2)nc1)c1cc2ccccc2cc1O ZINC000436704854 1026067549 /nfs/dbraw/zinc/06/75/49/1026067549.db2.gz QFBBAUNYPHTDLC-UHFFFAOYSA-N -1 0 333.391 3.793 20 0 EHADRM O=C(Nc1nc(CN2CCCCCC2)cs1)c1ccc(F)cc1[O-] ZINC000436722242 1026095463 /nfs/dbraw/zinc/09/54/63/1026095463.db2.gz NQHBCUZJIFKUBC-UHFFFAOYSA-N -1 0 349.431 3.616 20 0 EHADRM Cc1ccn(-c2ccc(NC(=O)c3cc(F)c([O-])c(Cl)c3)cc2)n1 ZINC000436737749 1026105572 /nfs/dbraw/zinc/10/55/72/1026105572.db2.gz QXCCWPMGAVKOEZ-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM COCCN(C(=O)c1ccc(Cl)c(Cl)c1[O-])[C@H]1CCC[C@H]1C ZINC000436745991 1026115667 /nfs/dbraw/zinc/11/56/67/1026115667.db2.gz WPGPIRMYNPXRNG-MFKMUULPSA-N -1 0 346.254 3.976 20 0 EHADRM CCCCCN(CCO)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436731131 1026122274 /nfs/dbraw/zinc/12/22/74/1026122274.db2.gz NVSNMJZCUXAPGU-UHFFFAOYSA-N -1 0 335.831 3.824 20 0 EHADRM O=C([O-])C1CCC(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000262718408 1026227265 /nfs/dbraw/zinc/22/72/65/1026227265.db2.gz ONJKPYPEWRYRJV-OPQOLIRYSA-N -1 0 329.440 3.720 20 0 EHADRM CCN(C(=O)c1ccc(C(=O)[O-])cc1F)[C@@H](C)c1cccc(OC)c1 ZINC000262430534 1026233535 /nfs/dbraw/zinc/23/35/35/1026233535.db2.gz ROXHAUSRFCMHNB-LBPRGKRZSA-N -1 0 345.370 3.756 20 0 EHADRM CC(=O)Nc1cccc2c1CCCN2C(=O)c1cc(Cl)ccc1[O-] ZINC001141997505 1026345739 /nfs/dbraw/zinc/34/57/39/1026345739.db2.gz LPWSJTDHYKZFPU-UHFFFAOYSA-N -1 0 344.798 3.597 20 0 EHADRM C[C@@H]1CCC[C@@H](N(C)C(=O)N=c2nc(-c3ccccc3)[n-]s2)C1 ZINC000530865304 1026366942 /nfs/dbraw/zinc/36/69/42/1026366942.db2.gz XAUBWXUNERBISY-TZMCWYRMSA-N -1 0 330.457 3.669 20 0 EHADRM Clc1cc(Cl)cc(-c2noc(=NCCc3cccnc3)[n-]2)c1 ZINC000530910433 1026410472 /nfs/dbraw/zinc/41/04/72/1026410472.db2.gz LJQJRHRGMVPOSZ-UHFFFAOYSA-N -1 0 335.194 3.515 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(C)[C@H](C)C(C)(C)C)n1 ZINC000530954823 1026443503 /nfs/dbraw/zinc/44/35/03/1026443503.db2.gz RENJAMUEZRIWGW-GFCCVEGCSA-N -1 0 333.407 3.532 20 0 EHADRM CCC(C)(C)N(C)C(=O)N(CC(=O)[O-])Cc1ccc(Cl)s1 ZINC000684896582 1026444051 /nfs/dbraw/zinc/44/40/51/1026444051.db2.gz ZLQZZUGKZAEWQM-UHFFFAOYSA-N -1 0 332.853 3.529 20 0 EHADRM Cc1cccc(C)c1CC(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000192851831 1026444700 /nfs/dbraw/zinc/44/47/00/1026444700.db2.gz USGLJEFAPWQFIS-QGZVFWFLSA-N -1 0 339.435 3.595 20 0 EHADRM CON(C)C(=O)c1c(Cl)cccc1Nc1cc(C)cc(C(=O)[O-])c1 ZINC001211547471 1026471221 /nfs/dbraw/zinc/47/12/21/1026471221.db2.gz QICVGRHMHOEPCE-UHFFFAOYSA-N -1 0 348.786 3.724 20 0 EHADRM CC(C)n1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)n1 ZINC000281994275 1026500172 /nfs/dbraw/zinc/50/01/72/1026500172.db2.gz NPZFNBGFTCBPCB-UHFFFAOYSA-N -1 0 334.228 3.572 20 0 EHADRM CCO[C@@H](CC(=O)N[C@H](CCC(=O)[O-])c1ccccc1)C1=CCCC1 ZINC000431438685 1026503812 /nfs/dbraw/zinc/50/38/12/1026503812.db2.gz NHBBJSBFMSNMRV-MSOLQXFVSA-N -1 0 345.439 3.614 20 0 EHADRM CC(C)NC(=O)Nc1ccc(NC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000030994349 1026530391 /nfs/dbraw/zinc/53/03/91/1026530391.db2.gz VYYMHKDKTJAKRB-UHFFFAOYSA-N -1 0 347.802 3.828 20 0 EHADRM COc1ccc([C@H](C)NC(=O)CC2(C(=O)[O-])CCCCCC2)cc1 ZINC000325182030 1026587790 /nfs/dbraw/zinc/58/77/90/1026587790.db2.gz AUARAHPOIGHBFX-AWEZNQCLSA-N -1 0 333.428 3.688 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1csc3c1CCCC3)CC2 ZINC000325228405 1026597839 /nfs/dbraw/zinc/59/78/39/1026597839.db2.gz DKJNWRQVNWRDGS-UHFFFAOYSA-N -1 0 341.432 3.524 20 0 EHADRM CCc1ccc(O)c([N-]S(=O)(=O)c2cccc3ccc(C)nc32)c1 ZINC000531248168 1026725889 /nfs/dbraw/zinc/72/58/89/1026725889.db2.gz ORWGCBOCGJQUDB-UHFFFAOYSA-N -1 0 342.420 3.612 20 0 EHADRM COc1cccnc1[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000531279560 1026749543 /nfs/dbraw/zinc/74/95/43/1026749543.db2.gz XNGYSLBFUYZBFQ-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM CCCN(C(=O)N[C@@H](CC)c1cccc(Cl)c1)[C@H](C)C(=O)[O-] ZINC000560485673 1026995812 /nfs/dbraw/zinc/99/58/12/1026995812.db2.gz CDBNRAMCFUYXFO-RISCZKNCSA-N -1 0 326.824 3.686 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1C ZINC000342777639 1027016429 /nfs/dbraw/zinc/01/64/29/1027016429.db2.gz JEHAXSTVPSPEIX-SNVBAGLBSA-N -1 0 327.837 3.617 20 0 EHADRM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)n([C@H](C)CC)n2)c1 ZINC000342781314 1027024028 /nfs/dbraw/zinc/02/40/28/1027024028.db2.gz OERWNALSRAMDMA-GFCCVEGCSA-N -1 0 349.456 3.556 20 0 EHADRM O=C(Cc1ccc(Cl)cc1)NNC(=O)c1cc2ccccc2s1 ZINC000022976379 1027026372 /nfs/dbraw/zinc/02/63/72/1027026372.db2.gz DHZBRVKTNVAIPN-UHFFFAOYSA-N -1 0 344.823 3.558 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000342784267 1027033547 /nfs/dbraw/zinc/03/35/47/1027033547.db2.gz SPAJPAZDMVIQPT-JTQLQIEISA-N -1 0 327.837 3.617 20 0 EHADRM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2ccc(C)c(F)c2)c1 ZINC000614738200 1027207378 /nfs/dbraw/zinc/20/73/78/1027207378.db2.gz CWHVMEFKCUXDAZ-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM CCc1nocc1CN=c1[n-]nc([C@H](CC)c2ccccc2)s1 ZINC000453048225 1027260597 /nfs/dbraw/zinc/26/05/97/1027260597.db2.gz TVGYMERXDBBLAD-CQSZACIVSA-N -1 0 328.441 3.664 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)CCC2CCCCC2)c1 ZINC000531746308 1027298567 /nfs/dbraw/zinc/29/85/67/1027298567.db2.gz ZAZDXTCBENXWCW-KRWDZBQOSA-N -1 0 333.428 3.688 20 0 EHADRM O=C([O-])C1(CNC(=O)CCCc2ccc(Cl)c(Cl)c2)CCC1 ZINC000531751197 1027314734 /nfs/dbraw/zinc/31/47/34/1027314734.db2.gz WWNFSWMUPJIQQM-UHFFFAOYSA-N -1 0 344.238 3.687 20 0 EHADRM Cc1ccccc1[C@@H]1CCN(C(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000273359799 1027393704 /nfs/dbraw/zinc/39/37/04/1027393704.db2.gz ZYQVOPUNUOXSCR-LLVKDONJSA-N -1 0 335.325 3.748 20 0 EHADRM CC(C)C[C@H](C)N(c1ccc2[nH]ccc2c1)S(=O)(=O)c1ncc[n-]1 ZINC000647898126 1027404136 /nfs/dbraw/zinc/40/41/36/1027404136.db2.gz UQOLGCNITYXTOA-ZDUSSCGKSA-N -1 0 346.456 3.521 20 0 EHADRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccccc1Cl)C1CCCCC1 ZINC000303128907 1027472437 /nfs/dbraw/zinc/47/24/37/1027472437.db2.gz JYMXVHBSYUXIJN-LBPRGKRZSA-N -1 0 343.876 3.751 20 0 EHADRM CCO[C@@H](CC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1)C1=CCCC1 ZINC000414456575 1027553968 /nfs/dbraw/zinc/55/39/68/1027553968.db2.gz UCZMEOPCIRUIEX-DYVFJYSZSA-N -1 0 331.412 3.719 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)CCC1 ZINC000262521494 1027579792 /nfs/dbraw/zinc/57/97/92/1027579792.db2.gz NXFYHHCKHYBMHV-SFHVURJKSA-N -1 0 337.419 3.732 20 0 EHADRM CSc1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccn2)c1 ZINC000337783004 1027644774 /nfs/dbraw/zinc/64/47/74/1027644774.db2.gz VAQLANJVIXBEAV-UHFFFAOYSA-N -1 0 348.371 3.623 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N2CC3(CCC3)[C@H]2c2ccco2)s1 ZINC000454235818 1027654491 /nfs/dbraw/zinc/65/44/91/1027654491.db2.gz ZILHWJMAIVJICI-CQSZACIVSA-N -1 0 346.456 3.511 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nccc(-c3ccccc3)n2)sc1C ZINC000130600543 1027688217 /nfs/dbraw/zinc/68/82/17/1027688217.db2.gz MLIGZAFHJFKZTH-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM O=C([O-])C1(C(=O)N2CCC(c3cccc4ccccc43)CC2)CCC1 ZINC000582788971 1027706538 /nfs/dbraw/zinc/70/65/38/1027706538.db2.gz REBWESDRBFEIDV-UHFFFAOYSA-N -1 0 337.419 3.801 20 0 EHADRM C[C@H]1CCN(C(=O)Cc2ccccc2C(=O)[O-])[C@@H]1c1cccc(F)c1 ZINC000262185414 1027739138 /nfs/dbraw/zinc/73/91/38/1027739138.db2.gz QLUQPTHLHLPOHY-DJJJIMSYSA-N -1 0 341.382 3.676 20 0 EHADRM CS[C@H]1CCCCN(C(=O)c2cccc(Br)c2[O-])C1 ZINC000533399068 1027769924 /nfs/dbraw/zinc/76/99/24/1027769924.db2.gz GILAVNJMPFBSHV-JTQLQIEISA-N -1 0 344.274 3.512 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc(OC3CCCCC3)cc2)C1 ZINC000422583003 1027807496 /nfs/dbraw/zinc/80/74/96/1027807496.db2.gz BRCRBRPJLJHKCY-HOCLYGCPSA-N -1 0 345.439 3.581 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccccc2OC2CCCCC2)C1 ZINC000422596976 1027818458 /nfs/dbraw/zinc/81/84/58/1027818458.db2.gz TYZTXBFCDRVFIL-LSDHHAIUSA-N -1 0 345.439 3.581 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000582834553 1027929747 /nfs/dbraw/zinc/92/97/47/1027929747.db2.gz ORFKOKOPXSRAIP-QGZVFWFLSA-N -1 0 348.450 3.578 20 0 EHADRM CC(C)(C)c1cccc2c1OCCN2C(=O)c1cc(F)ccc1O ZINC000444481399 1027968370 /nfs/dbraw/zinc/96/83/70/1027968370.db2.gz PQZBYYMIVLUYGI-UHFFFAOYSA-N -1 0 329.371 3.868 20 0 EHADRM O=C([O-])C1(CC(=O)NCc2ccc(OC3CCCCC3)cc2)CCC1 ZINC000262554105 1027972478 /nfs/dbraw/zinc/97/24/78/1027972478.db2.gz UMTLHQBEANNMGG-UHFFFAOYSA-N -1 0 345.439 3.659 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]c1ccc2cccc(Cl)c2n1 ZINC000502391050 1028168431 /nfs/dbraw/zinc/16/84/31/1028168431.db2.gz JNFNJELWIQFUKE-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM CCOC(=O)c1nc(Nc2cc(Cl)cc(C(=O)[O-])c2)sc1C ZINC001211958391 1028170494 /nfs/dbraw/zinc/17/04/94/1028170494.db2.gz OKZOCTRVBYOUBL-UHFFFAOYSA-N -1 0 340.788 3.723 20 0 EHADRM Cc1cc(Nc2cc(Cl)cc(C(=O)[O-])c2)n(Cc2ccncc2)n1 ZINC001211958597 1028171478 /nfs/dbraw/zinc/17/14/78/1028171478.db2.gz YZUMOTSKCWDEOZ-UHFFFAOYSA-N -1 0 342.786 3.730 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2OCC)cc1 ZINC000614852860 1028210668 /nfs/dbraw/zinc/21/06/68/1028210668.db2.gz VXRYYHPSSVFXGF-UHFFFAOYSA-N -1 0 335.425 3.593 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc3c4c(cccc42)CC3)C[C@H]1C(=O)[O-] ZINC000582905301 1028220392 /nfs/dbraw/zinc/22/03/92/1028220392.db2.gz KSCLWFSOSLGSBS-MLGOLLRUSA-N -1 0 338.407 3.513 20 0 EHADRM O=S(=O)([N-]c1ccc2cccc(Cl)c2n1)c1ccccc1F ZINC000502494218 1028277975 /nfs/dbraw/zinc/27/79/75/1028277975.db2.gz MTPSWXMEMIBAIB-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM c1csc(-c2nc(SCc3nnn[n-]3)[nH]c2-c2cccs2)c1 ZINC000353168664 1028282672 /nfs/dbraw/zinc/28/26/72/1028282672.db2.gz BSRSHDPAJFDEHC-UHFFFAOYSA-N -1 0 346.466 3.672 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc([O-])c(Cl)c2)C[C@H](c2ccccc2)O1 ZINC000067860249 1028377446 /nfs/dbraw/zinc/37/74/46/1028377446.db2.gz VWORUAQGJSHHTP-SJKOYZFVSA-N -1 0 331.799 3.648 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])s2)o1 ZINC000431511815 1028417927 /nfs/dbraw/zinc/41/79/27/1028417927.db2.gz ZIQKALNEAVQIHY-GFCCVEGCSA-N -1 0 335.425 3.793 20 0 EHADRM COC(=O)Cc1ccc(F)c(Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC001211969375 1028426684 /nfs/dbraw/zinc/42/66/84/1028426684.db2.gz GNLWWRSDRVNQCU-UHFFFAOYSA-N -1 0 337.734 3.636 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cc1O)c1ccc(Cl)cc1F ZINC000513813203 1028561257 /nfs/dbraw/zinc/56/12/57/1028561257.db2.gz ZEIBKMVOBMTBCH-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM CC(C)(C)[C@H]1CCc2sc(C(=O)N3CCC[C@@H]3C(=O)[O-])cc2C1 ZINC000236729424 1028577350 /nfs/dbraw/zinc/57/73/50/1028577350.db2.gz LMKPFKGJULQNGY-QWHCGFSZSA-N -1 0 335.469 3.588 20 0 EHADRM Cc1cccc2cc(C(=O)N=c3nc(-c4ccccc4)[n-]s3)oc21 ZINC000502716864 1028592649 /nfs/dbraw/zinc/59/26/49/1028592649.db2.gz SQAYWSQDIJBRTI-UHFFFAOYSA-N -1 0 335.388 3.934 20 0 EHADRM CC[C@H](C)[C@@H](C)C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000431517334 1028624818 /nfs/dbraw/zinc/62/48/18/1028624818.db2.gz DYAYIEMMQQTKMA-KHYOSLBOSA-N -1 0 341.451 3.882 20 0 EHADRM O=S(=O)([N-]c1cccc2cccnc21)c1cc(Cl)ccc1F ZINC000074936818 1028639323 /nfs/dbraw/zinc/63/93/23/1028639323.db2.gz HUKZJUMFYLZCLP-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(C(=O)[O-])s1 ZINC000237415454 1028651142 /nfs/dbraw/zinc/65/11/42/1028651142.db2.gz JRHQYBGRAINNTE-SECBINFHSA-N -1 0 346.433 3.889 20 0 EHADRM C[C@@H](CN(C(=O)c1cccc(OC2CCCCC2)c1)C1CC1)C(=O)[O-] ZINC000237473715 1028654153 /nfs/dbraw/zinc/65/41/53/1028654153.db2.gz YQQSIMBFAYZDNW-AWEZNQCLSA-N -1 0 345.439 3.723 20 0 EHADRM Cc1cc2[nH]c(C(=O)Nc3cccc(OCC(=O)[O-])c3)cc2c(C)c1 ZINC000237624157 1028658820 /nfs/dbraw/zinc/65/88/20/1028658820.db2.gz OHAUDYYVQZYFSM-UHFFFAOYSA-N -1 0 338.363 3.500 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1cc(Cl)ccc1F ZINC000237661712 1028658852 /nfs/dbraw/zinc/65/88/52/1028658852.db2.gz AZJAXUGOYRSDOE-HNNXBMFYSA-N -1 0 335.762 3.733 20 0 EHADRM Cc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2C)c(C)n1C1CC1 ZINC000237610843 1028658923 /nfs/dbraw/zinc/65/89/23/1028658923.db2.gz QMFSLHNMQMIAOA-GOSISDBHSA-N -1 0 340.423 3.694 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cccc(-n2cccc2)c1)c1ccccc1 ZINC000237761963 1028665779 /nfs/dbraw/zinc/66/57/79/1028665779.db2.gz QUMPYCGQRVWMDI-BEFAXECRSA-N -1 0 348.402 3.669 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CCSc3c(F)cccc32)s1 ZINC000238031238 1028672897 /nfs/dbraw/zinc/67/28/97/1028672897.db2.gz JJHFFBMZHNBTCQ-SNVBAGLBSA-N -1 0 337.397 3.552 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2F)n1 ZINC000504519558 1028707296 /nfs/dbraw/zinc/70/72/96/1028707296.db2.gz UOCZNJMAKLIPSQ-UHFFFAOYSA-N -1 0 334.825 3.689 20 0 EHADRM CN(C(=O)N=c1nc(C(C)(C)C)[n-]s1)[C@@H]1CCCc2ccccc21 ZINC000523930956 1028723166 /nfs/dbraw/zinc/72/31/66/1028723166.db2.gz DQPWUPGBVYTNIG-CQSZACIVSA-N -1 0 344.484 3.799 20 0 EHADRM CC[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1onc(C2CC2)c1Cl ZINC001212017461 1028745597 /nfs/dbraw/zinc/74/55/97/1028745597.db2.gz DFOYANCTDWQRRV-CMPLNLGQSA-N -1 0 346.880 3.700 20 0 EHADRM Cc1cc(CN=c2[n-]nc([C@@H]3Cc4ccccc4O3)o2)ccc1Cl ZINC000502852489 1028752555 /nfs/dbraw/zinc/75/25/55/1028752555.db2.gz GVZWVHFTQMBMRY-INIZCTEOSA-N -1 0 341.798 3.742 20 0 EHADRM Oc1ccc(-c2noc(CCn3cnc4ccccc43)n2)c(Cl)c1 ZINC000445443215 1028800905 /nfs/dbraw/zinc/80/09/05/1028800905.db2.gz FUVFICGNOCJOBF-UHFFFAOYSA-N -1 0 340.770 3.688 20 0 EHADRM C[C@@H](Oc1ccc(/C=C/c2ccc3cccc(O)c3n2)cc1)C(=O)[O-] ZINC000504712267 1028840607 /nfs/dbraw/zinc/84/06/07/1028840607.db2.gz NWQYAIPOSSXKLK-OMDQHUAHSA-N -1 0 335.359 3.963 20 0 EHADRM C[C@@H]1CCC[C@@H]1NC(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000504725247 1028866883 /nfs/dbraw/zinc/86/68/83/1028866883.db2.gz KKRJTOAYMQAODJ-SKDRFNHKSA-N -1 0 336.848 3.591 20 0 EHADRM C[C@@H](Sc1n[n-]c(=NCCc2cccs2)s1)c1cccnc1 ZINC000524115478 1028882185 /nfs/dbraw/zinc/88/21/85/1028882185.db2.gz WDLUFSNXWVLHQE-LLVKDONJSA-N -1 0 348.522 3.924 20 0 EHADRM O=S(=O)([O-])c1ccc(Cl)c(Nc2cccc(OC(F)F)c2)c1 ZINC001212064555 1028976296 /nfs/dbraw/zinc/97/62/96/1028976296.db2.gz AWYKYCSAOAVERX-UHFFFAOYSA-N -1 0 349.742 3.932 20 0 EHADRM O=C(CC1(C(=O)[O-])CCC1)NC(c1cccs1)c1cccs1 ZINC000262566255 1028977309 /nfs/dbraw/zinc/97/73/09/1028977309.db2.gz YABYNEAGGHHIBE-UHFFFAOYSA-N -1 0 335.450 3.660 20 0 EHADRM CC(C)[C@@H]1N(C(=O)N=c2[n-]nc(-c3ccco3)s2)CC12CCCC2 ZINC000454515431 1029000148 /nfs/dbraw/zinc/00/01/48/1029000148.db2.gz KJNDXIJDLFSDCK-ZDUSSCGKSA-N -1 0 346.456 3.653 20 0 EHADRM CCCOc1ccc(NS(=O)(=O)c2ccc(OC)c(C)c2)c(C)c1 ZINC000614883619 1029032040 /nfs/dbraw/zinc/03/20/40/1029032040.db2.gz PPHYSCLBOAAGPL-UHFFFAOYSA-N -1 0 349.452 3.902 20 0 EHADRM CC[C@H]1c2ccsc2CCN1C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000424406755 1029051793 /nfs/dbraw/zinc/05/17/93/1029051793.db2.gz GOXGYRVJXVVGOK-JSGCOSHPSA-N -1 0 338.473 3.514 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N[C@@H](c2cccs2)C2CC2)s1 ZINC000503122875 1029066728 /nfs/dbraw/zinc/06/67/28/1029066728.db2.gz YPDHKMKQWDFICB-CYBMUJFWSA-N -1 0 336.486 3.637 20 0 EHADRM CCC(CC)(CNC(=O)N[C@@H](C)c1ccc(SC)cc1)C(=O)[O-] ZINC000424453683 1029087446 /nfs/dbraw/zinc/08/74/46/1029087446.db2.gz RPPKSNUZMAWPQM-LBPRGKRZSA-N -1 0 338.473 3.660 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000237391222 1029134356 /nfs/dbraw/zinc/13/43/56/1029134356.db2.gz GKBZHXBYFNBIFN-GHMZBOCLSA-N -1 0 331.334 3.569 20 0 EHADRM CC(C)(C)Sc1ccc(NC(=O)C(=O)[N-]OC2CCCC2)cc1 ZINC000271713932 1029136483 /nfs/dbraw/zinc/13/64/83/1029136483.db2.gz VSMXVDTYDNTROJ-UHFFFAOYSA-N -1 0 336.457 3.506 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)n[nH]c1C(C)C ZINC000647279096 1029176544 /nfs/dbraw/zinc/17/65/44/1029176544.db2.gz LYMQAEYVRSBZNY-UHFFFAOYSA-N -1 0 348.255 3.949 20 0 EHADRM CC[C@H](C)n1ncc(C(=O)Nc2ccc(C(=O)[O-])cc2)c1C1CC1 ZINC000190601347 1029205354 /nfs/dbraw/zinc/20/53/54/1029205354.db2.gz OZBNOTJUKNCODS-NSHDSACASA-N -1 0 327.384 3.682 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)c(C(=O)[O-])c1 ZINC000544406930 1029206207 /nfs/dbraw/zinc/20/62/07/1029206207.db2.gz UGYLGUDWLGKKTN-CHWSQXEVSA-N -1 0 331.318 3.714 20 0 EHADRM O=S(=O)([N-][C@@H](c1ccccc1)C(F)F)c1ccc(Cl)cc1F ZINC000431617957 1029333425 /nfs/dbraw/zinc/33/34/25/1029333425.db2.gz DJRHGUIRPRETJD-ZDUSSCGKSA-N -1 0 349.761 3.764 20 0 EHADRM CC[C@H]1CO[C@H](C)CN1Cc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000320951917 1029451379 /nfs/dbraw/zinc/45/13/79/1029451379.db2.gz XYCACWSTNKFABZ-MNOVXSKESA-N -1 0 337.416 3.738 20 0 EHADRM CCc1oc(C(=O)N2CCC[C@H]2Cc2ccc(C)cc2)cc1C(=O)[O-] ZINC000261620410 1029475264 /nfs/dbraw/zinc/47/52/64/1029475264.db2.gz HQUAPDPANZPVFK-HNNXBMFYSA-N -1 0 341.407 3.696 20 0 EHADRM CCc1oc(C(=O)N2C[C@@H](C)C[C@@H]2c2cccc(F)c2)cc1C(=O)[O-] ZINC000261621947 1029478504 /nfs/dbraw/zinc/47/85/04/1029478504.db2.gz HVZFXWCJVLXZER-XHDPSFHLSA-N -1 0 345.370 3.903 20 0 EHADRM CCc1oc(C(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)cc1C(=O)[O-] ZINC000261684517 1029481636 /nfs/dbraw/zinc/48/16/36/1029481636.db2.gz QWIWUIXTAPWRHG-TZMCWYRMSA-N -1 0 327.380 3.558 20 0 EHADRM C[C@H](CC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccccc1F ZINC000262170142 1029570103 /nfs/dbraw/zinc/57/01/03/1029570103.db2.gz LIEAHQDYACVKFZ-DYVFJYSZSA-N -1 0 341.382 3.530 20 0 EHADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1ccc3ccccc3c1)C2 ZINC000262280168 1029578529 /nfs/dbraw/zinc/57/85/29/1029578529.db2.gz VODBZZZEBFXDEM-PSHVLCQKSA-N -1 0 349.430 3.657 20 0 EHADRM O=C([O-])CC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1Br ZINC000050924899 1029613488 /nfs/dbraw/zinc/61/34/88/1029613488.db2.gz SEJVTCCNTYDQBG-CYBMUJFWSA-N -1 0 344.224 3.808 20 0 EHADRM COC[C@@H](N=c1nc(C2CCCC2)[n-]s1)c1ccc(F)c(F)c1 ZINC000420597587 1029616970 /nfs/dbraw/zinc/61/69/70/1029616970.db2.gz BEPKZCVENBDVMQ-CQSZACIVSA-N -1 0 339.411 3.695 20 0 EHADRM COc1ccc(-c2cc(C)c3ccc(F)cc3n2)cc1CC(=O)[O-] ZINC000544047045 1029624737 /nfs/dbraw/zinc/62/47/37/1029624737.db2.gz UPZYHYKYIOJHKA-UHFFFAOYSA-N -1 0 325.339 3.985 20 0 EHADRM C[C@H](NC(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC000262876798 1029653264 /nfs/dbraw/zinc/65/32/64/1029653264.db2.gz APNVVDGWGLDANH-MAUKXSAKSA-N -1 0 340.423 3.523 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000263078641 1029664472 /nfs/dbraw/zinc/66/44/72/1029664472.db2.gz UNYSUKPEUDAMME-GOSISDBHSA-N -1 0 337.847 3.622 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N3CCC[C@@](C)(C(=O)[O-])C3)o2)cc1 ZINC000263031305 1029665701 /nfs/dbraw/zinc/66/57/01/1029665701.db2.gz PLYNFTXAZRJNPW-HXUWFJFHSA-N -1 0 341.407 3.836 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2ccc(C(C)(C)C)cn2)c1 ZINC000263100534 1029666266 /nfs/dbraw/zinc/66/62/66/1029666266.db2.gz CTGBHHPWVSBGEO-LBPRGKRZSA-N -1 0 326.396 3.820 20 0 EHADRM CCC[C@H](CNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000263173789 1029671901 /nfs/dbraw/zinc/67/19/01/1029671901.db2.gz KXDICNHCXKYYKH-JLLWLGSASA-N -1 0 344.238 3.714 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)Cc1ccc(Cl)s1)c1ccccc1 ZINC000263219793 1029676072 /nfs/dbraw/zinc/67/60/72/1029676072.db2.gz YLJCWDXXOQVNLF-BONVTDFDSA-N -1 0 337.828 3.522 20 0 EHADRM CC[C@@H](CC(=O)NCc1ccc(C(=O)[O-])s1)c1ccc(C)cc1 ZINC000263249830 1029680194 /nfs/dbraw/zinc/68/01/94/1029680194.db2.gz SQEXKXRFHHFJPT-ZDUSSCGKSA-N -1 0 331.437 3.955 20 0 EHADRM CCC[C@H](CNC(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000263253964 1029680943 /nfs/dbraw/zinc/68/09/43/1029680943.db2.gz VPGHHNXWEHXVIT-OCCSQVGLSA-N -1 0 345.361 3.816 20 0 EHADRM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)C[C@@H](C)CC(C)C)c1 ZINC000263257343 1029681266 /nfs/dbraw/zinc/68/12/66/1029681266.db2.gz VYJZKELLGRZLGV-IFXJQAMLSA-N -1 0 335.444 3.574 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(c2ccc3cc(Br)ccc3n2)C1 ZINC000263287156 1029683272 /nfs/dbraw/zinc/68/32/72/1029683272.db2.gz YFICTLZPQRAZNU-CMPLNLGQSA-N -1 0 349.228 3.544 20 0 EHADRM C/C=C/C[C@H](NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000263282103 1029683656 /nfs/dbraw/zinc/68/36/56/1029683656.db2.gz OSGANEWICVWYPE-DWKGUQLISA-N -1 0 343.345 3.735 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000263321763 1029687268 /nfs/dbraw/zinc/68/72/68/1029687268.db2.gz NQVCKLHINGLRGN-PBHICJAKSA-N -1 0 341.407 3.979 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1 ZINC000263354318 1029690148 /nfs/dbraw/zinc/69/01/48/1029690148.db2.gz QLPQFNPWGOLSRW-RKVPGOIHSA-N -1 0 331.456 3.873 20 0 EHADRM COc1cccc([C@H](C)C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c1 ZINC000263289915 1029690630 /nfs/dbraw/zinc/69/06/30/1029690630.db2.gz LYKNCCOITDUHMX-STQMWFEESA-N -1 0 327.380 3.626 20 0 EHADRM Cc1ccc(C)c(OCCCCC(=O)N2CCC[C@@H](C(=O)[O-])[C@H]2C)c1 ZINC000263368837 1029691847 /nfs/dbraw/zinc/69/18/47/1029691847.db2.gz USPNIJDBWDKUAH-IAGOWNOFSA-N -1 0 347.455 3.564 20 0 EHADRM CC(C)C[C@H](Nc1nn2cc(-c3ccc(F)cc3)nc2s1)C(=O)[O-] ZINC000263407842 1029694575 /nfs/dbraw/zinc/69/45/75/1029694575.db2.gz LHDIXFBUTHIYEW-LBPRGKRZSA-N -1 0 348.403 3.508 20 0 EHADRM O=C([O-])c1ccc(CNc2ccc(F)cc2OC2CCOCC2)cc1 ZINC000263419145 1029696191 /nfs/dbraw/zinc/69/61/91/1029696191.db2.gz OEUXNBMJGWTICF-UHFFFAOYSA-N -1 0 345.370 3.694 20 0 EHADRM Cc1c(Cl)cc(NC(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1Cl ZINC000263458137 1029701408 /nfs/dbraw/zinc/70/14/08/1029701408.db2.gz CRFPYQVQZOPLBA-CQSZACIVSA-N -1 0 331.199 3.630 20 0 EHADRM CC(C)OCCOCc1cccc(NCc2ccc(C(=O)[O-])cc2)c1 ZINC000263486955 1029703866 /nfs/dbraw/zinc/70/38/66/1029703866.db2.gz PSRIFEFVQFCKMQ-UHFFFAOYSA-N -1 0 343.423 3.939 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCC(c3ccc(Cl)cc3)CC2)C1 ZINC000263527610 1029709365 /nfs/dbraw/zinc/70/93/65/1029709365.db2.gz KTVBVUJKOVSCAM-JKSUJKDBSA-N -1 0 349.858 3.937 20 0 EHADRM O=C([O-])[C@@H]1CN(c2ncc(-c3ccccc3)s2)C[C@H]1C(F)(F)F ZINC000263553854 1029711033 /nfs/dbraw/zinc/71/10/33/1029711033.db2.gz MWEVYPTYRMSKLV-GHMZBOCLSA-N -1 0 342.342 3.509 20 0 EHADRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000446641419 1029734332 /nfs/dbraw/zinc/73/43/32/1029734332.db2.gz FEUYEQZFELWZSG-UHFFFAOYSA-N -1 0 349.477 3.707 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H]2CCc3cc(F)ccc32)c1 ZINC000615109632 1029742374 /nfs/dbraw/zinc/74/23/74/1029742374.db2.gz UQKKEBTWZFBNMN-HNNXBMFYSA-N -1 0 327.355 3.793 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)n1 ZINC000446728237 1029775013 /nfs/dbraw/zinc/77/50/13/1029775013.db2.gz MZPQHKAERHJVCL-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2csc3ccc(Cl)cc32)no1 ZINC000080299281 1029790803 /nfs/dbraw/zinc/79/08/03/1029790803.db2.gz LXJJECFCTABZDK-UHFFFAOYSA-N -1 0 328.802 3.652 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000525331586 1029796767 /nfs/dbraw/zinc/79/67/67/1029796767.db2.gz GBUYVAANJGLUNL-UHFFFAOYSA-N -1 0 342.420 3.824 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)C(C)(C)Cc2ccccc2)sc1C(=O)[O-] ZINC000237480780 1029802655 /nfs/dbraw/zinc/80/26/55/1029802655.db2.gz GPJNECNHEVSMTO-GFCCVEGCSA-N -1 0 346.452 3.596 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000583451236 1029842461 /nfs/dbraw/zinc/84/24/61/1029842461.db2.gz OZBXZYGNRURVAM-GFCCVEGCSA-N -1 0 341.810 3.628 20 0 EHADRM CC[C@H](C)n1ncc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1C1CC1 ZINC000455789266 1029943610 /nfs/dbraw/zinc/94/36/10/1029943610.db2.gz LAGHDTAHENQLKG-WFASDCNBSA-N -1 0 349.475 3.741 20 0 EHADRM O=S(=O)(Cc1ccc(C2CCC2)cc1)c1nc2ccccc2[n-]1 ZINC000447192805 1030006412 /nfs/dbraw/zinc/00/64/12/1030006412.db2.gz NAVUASJSNXWSIQ-UHFFFAOYSA-N -1 0 326.421 3.804 20 0 EHADRM CN(c1ccccc1)c1ccc(CN=c2[n-]nc(C(F)F)s2)cn1 ZINC000360949735 1030018537 /nfs/dbraw/zinc/01/85/37/1030018537.db2.gz QHFVTSSFEQJXLR-UHFFFAOYSA-N -1 0 347.394 3.673 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1 ZINC000120504198 1030031734 /nfs/dbraw/zinc/03/17/34/1030031734.db2.gz FQVZNMRWVJLVFK-UHFFFAOYSA-N -1 0 338.237 3.864 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1ccc(C(C)(C)C)cc1 ZINC000120521400 1030041243 /nfs/dbraw/zinc/04/12/43/1030041243.db2.gz DHGOBVSBHYJPHY-UHFFFAOYSA-N -1 0 325.455 3.855 20 0 EHADRM CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)c1 ZINC000447261252 1030050221 /nfs/dbraw/zinc/05/02/21/1030050221.db2.gz UXAIBXBGXQCCRB-UHFFFAOYSA-N -1 0 349.387 3.664 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2ccc(C3CCC3)cc2)cc1C(=O)[O-] ZINC000447270625 1030057857 /nfs/dbraw/zinc/05/78/57/1030057857.db2.gz LJFUELREWQIFFY-UHFFFAOYSA-N -1 0 345.420 3.762 20 0 EHADRM CC(=O)Nc1cc(NC(=O)c2ccc(Cl)cc2[O-])ccc1Cl ZINC000120670833 1030062058 /nfs/dbraw/zinc/06/20/58/1030062058.db2.gz BCXLEWWHIRGGPF-UHFFFAOYSA-N -1 0 339.178 3.910 20 0 EHADRM CCN(CC1CC1)C(=O)N=c1[n-]nc(-c2cc(C)cc(C)c2)s1 ZINC000481950928 1030129072 /nfs/dbraw/zinc/12/90/72/1030129072.db2.gz FIBZWIVRGXBQHC-UHFFFAOYSA-N -1 0 330.457 3.508 20 0 EHADRM CC[C@H]1CCCN1C(=O)N=c1[n-]nc(-c2cc(C)cc(C)c2)s1 ZINC000481974452 1030141053 /nfs/dbraw/zinc/14/10/53/1030141053.db2.gz SKVJSJBJQAVAMR-AWEZNQCLSA-N -1 0 330.457 3.650 20 0 EHADRM Cc1n[n-]c(=NC(=O)N[C@@H](c2oc3ccccc3c2C)C(C)C)s1 ZINC000482114441 1030218662 /nfs/dbraw/zinc/21/86/62/1030218662.db2.gz OSFCCETULCFXIB-CQSZACIVSA-N -1 0 344.440 3.842 20 0 EHADRM COCCOc1ccc(NC(=O)c2ccc(Cl)cc2[O-])c(C)c1 ZINC000121498308 1030281931 /nfs/dbraw/zinc/28/19/31/1030281931.db2.gz BDEHOWSAQRHSDK-UHFFFAOYSA-N -1 0 335.787 3.632 20 0 EHADRM CC(C)[C@@H]1CCN(C(=O)c2cc(Cl)cc(Br)c2[O-])C1 ZINC000532031694 1030323574 /nfs/dbraw/zinc/32/35/74/1030323574.db2.gz XYMVANFDYSKGNI-SECBINFHSA-N -1 0 346.652 3.926 20 0 EHADRM CCOc1cccnc1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000431535558 1030393434 /nfs/dbraw/zinc/39/34/34/1030393434.db2.gz FKNZPOPWLWHRMM-UHFFFAOYSA-N -1 0 342.376 3.646 20 0 EHADRM COc1cc(C)ccc1-c1ccc([S@](=O)CCCC(=O)[O-])cc1 ZINC000600965967 1030398245 /nfs/dbraw/zinc/39/82/45/1030398245.db2.gz YWHODRAUUFJESG-HSZRJFAPSA-N -1 0 332.421 3.643 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccsc2)s1)N1CCCC2(CCCC2)C1 ZINC000526090981 1030413310 /nfs/dbraw/zinc/41/33/10/1030413310.db2.gz XVFVPPANRCGQFY-UHFFFAOYSA-N -1 0 348.497 3.877 20 0 EHADRM Cc1csc(CSc2n[n-]c(=NCCc3ccccc3)s2)n1 ZINC000532164241 1030457492 /nfs/dbraw/zinc/45/74/92/1030457492.db2.gz IKZMTSBWIQAQGN-UHFFFAOYSA-N -1 0 348.522 3.672 20 0 EHADRM Cc1ccc(Nc2cc(Br)cn3ccnc23)cc1C(=O)[O-] ZINC001211593811 1030460166 /nfs/dbraw/zinc/46/01/66/1030460166.db2.gz AOLIHBNQABQXLT-UHFFFAOYSA-N -1 0 346.184 3.847 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)CCc3cncc4ccccc43)[nH][n-]2)o1 ZINC000447797790 1030481319 /nfs/dbraw/zinc/48/13/19/1030481319.db2.gz NSRMJLNHABNLJD-UHFFFAOYSA-N -1 0 346.390 3.520 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)c3cc4ccccc4nc3C)[nH][n-]2)o1 ZINC000447799651 1030483890 /nfs/dbraw/zinc/48/38/90/1030483890.db2.gz KTHSRKMGMAKQFE-UHFFFAOYSA-N -1 0 332.363 3.509 20 0 EHADRM Cc1cscc1NC(=O)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000122087772 1030485915 /nfs/dbraw/zinc/48/59/15/1030485915.db2.gz XNRQMMVMPVNXSO-UHFFFAOYSA-N -1 0 345.207 3.646 20 0 EHADRM Cc1ccc(Nc2cnc(F)c(Br)c2)cc1C(=O)[O-] ZINC001211594229 1030488592 /nfs/dbraw/zinc/48/85/92/1030488592.db2.gz PUHWYXAGFLSKCK-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM O=C([O-])c1ccc(NC(=O)COc2cc(Cl)cc(Cl)c2)cc1 ZINC000532250046 1030497679 /nfs/dbraw/zinc/49/76/79/1030497679.db2.gz UJVHJWUOONNWSC-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)[C@@H](C)Sc3ccccc3)[nH][n-]2)o1 ZINC000447804681 1030505992 /nfs/dbraw/zinc/50/59/92/1030505992.db2.gz ZVXVBOMVMJKHHD-GFCCVEGCSA-N -1 0 327.409 3.519 20 0 EHADRM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2nc(C(C)C)cs2)c1 ZINC000615169720 1030512759 /nfs/dbraw/zinc/51/27/59/1030512759.db2.gz QITWYQYOWWUNQK-UHFFFAOYSA-N -1 0 347.465 3.924 20 0 EHADRM O=C([O-])C1(CC(=O)NCc2ccc(-c3ccco3)cc2F)CCCC1 ZINC000448110743 1030525285 /nfs/dbraw/zinc/52/52/85/1030525285.db2.gz TXLBHLMSYKSCKJ-UHFFFAOYSA-N -1 0 345.370 3.737 20 0 EHADRM C[C@@H]1CCCC[C@H]1N(C)C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000532281102 1030531777 /nfs/dbraw/zinc/53/17/77/1030531777.db2.gz SWNKDAKIJMIUGY-TZMCWYRMSA-N -1 0 330.457 3.669 20 0 EHADRM CCCC[C@@H](CC)C(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000447893114 1030572988 /nfs/dbraw/zinc/57/29/88/1030572988.db2.gz KVHNBDLYSCUIDU-PXAZEXFGSA-N -1 0 348.418 3.635 20 0 EHADRM CC[C@]1(C)CCCN(C(=O)N=c2nc(-c3ccsc3)[n-]s2)C1 ZINC000447989673 1030643796 /nfs/dbraw/zinc/64/37/96/1030643796.db2.gz IWIHQBKOYBGYMF-OAHLLOKOSA-N -1 0 336.486 3.733 20 0 EHADRM C[C@H]1CCC[C@@H](N(C)C(=O)N=c2nc(-c3ccsc3)[n-]s2)C1 ZINC000447999718 1030650386 /nfs/dbraw/zinc/65/03/86/1030650386.db2.gz KXRYRTGVMOTGRW-CMPLNLGQSA-N -1 0 336.486 3.731 20 0 EHADRM CCc1nc(=NC[C@H](CCCOC)c2ccc(Cl)cc2)s[n-]1 ZINC000583770284 1030697103 /nfs/dbraw/zinc/69/71/03/1030697103.db2.gz VSXOHZWHVCNDBN-ZDUSSCGKSA-N -1 0 339.892 3.798 20 0 EHADRM Cc1ccc(CCN(Cc2ccco2)C(=O)CC(C)(C)C(=O)[O-])cc1 ZINC000583775729 1030704380 /nfs/dbraw/zinc/70/43/80/1030704380.db2.gz ASDXEPMYINRDSO-UHFFFAOYSA-N -1 0 343.423 3.660 20 0 EHADRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)c(C)nn2)c1 ZINC000551017474 1030932675 /nfs/dbraw/zinc/93/26/75/1030932675.db2.gz QLDHDGDFONCZON-UHFFFAOYSA-N -1 0 339.848 3.500 20 0 EHADRM CC[C@H](NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)c1ccc(C)cc1 ZINC000172737285 1030987691 /nfs/dbraw/zinc/98/76/91/1030987691.db2.gz NSIXWFPYQDBMKQ-SFHVURJKSA-N -1 0 349.434 3.664 20 0 EHADRM Cc1cc(C(=O)N=c2nc(-c3ccccc3)[n-]s2)cc(C)c1F ZINC000483152969 1031009009 /nfs/dbraw/zinc/00/90/09/1031009009.db2.gz FFWXCLFCCSBXET-UHFFFAOYSA-N -1 0 327.384 3.635 20 0 EHADRM O=C([O-])Cc1c[nH]c2cc(Cl)c(NC3(c4ccccn4)CC3)cc12 ZINC001168151361 1031059401 /nfs/dbraw/zinc/05/94/01/1031059401.db2.gz NXNIIDLPNLWRCC-UHFFFAOYSA-N -1 0 341.798 3.945 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N(C)C[C@@H](C)c2ccccc2)s1 ZINC000551139064 1031068796 /nfs/dbraw/zinc/06/87/96/1031068796.db2.gz SDDVBZCUHSNOLU-CYBMUJFWSA-N -1 0 332.473 3.570 20 0 EHADRM CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000783877080 1031116679 /nfs/dbraw/zinc/11/66/79/1031116679.db2.gz OZMPNDFSLBVXND-UHFFFAOYSA-N -1 0 333.340 3.575 20 0 EHADRM CCOC(=O)c1ccc(NC)c(Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC001211603670 1031200079 /nfs/dbraw/zinc/20/00/79/1031200079.db2.gz CTIURYFVGOGLMU-UHFFFAOYSA-N -1 0 328.368 3.655 20 0 EHADRM O=C([O-])CCOc1cccc(/C=C\c2ccc3cccc(O)c3n2)c1 ZINC000477050062 1031202977 /nfs/dbraw/zinc/20/29/77/1031202977.db2.gz SZYXZDRYQMCTID-CLFYSBASSA-N -1 0 335.359 3.964 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000162903236 1031226667 /nfs/dbraw/zinc/22/66/67/1031226667.db2.gz IKNCWAKWEKJDDE-MRXNPFEDSA-N -1 0 345.826 3.519 20 0 EHADRM CCN(CCO)c1ccc(Nc2ccc(C)c(C(=O)[O-])c2)c(C)c1 ZINC001211604038 1031230390 /nfs/dbraw/zinc/23/03/90/1031230390.db2.gz KRIFVLNBCRNQHK-UHFFFAOYSA-N -1 0 328.412 3.564 20 0 EHADRM CCOc1ccccc1[C@@H](CC(C)C)N=c1[n-]nc(COC)s1 ZINC000477104299 1031255388 /nfs/dbraw/zinc/25/53/88/1031255388.db2.gz YFLOYMLODZRZGF-CQSZACIVSA-N -1 0 335.473 3.704 20 0 EHADRM CC(=O)c1cc(F)c([N-]C(=O)c2nc(C(C)C)oc2C)c(F)c1F ZINC000343532614 1031279210 /nfs/dbraw/zinc/27/92/10/1031279210.db2.gz FWMASEDKUDHATA-UHFFFAOYSA-N -1 0 340.301 3.979 20 0 EHADRM CC(C)(C)[C@H]1CCCN1C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000668264383 1031339881 /nfs/dbraw/zinc/33/98/81/1031339881.db2.gz XEFTYINMEXGFHR-OAHLLOKOSA-N -1 0 347.846 3.882 20 0 EHADRM CCOc1cccc([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c1 ZINC000551467569 1031366765 /nfs/dbraw/zinc/36/67/65/1031366765.db2.gz YNXPGOUFSBYPFI-UHFFFAOYSA-N -1 0 347.770 3.818 20 0 EHADRM O=S(=O)([N-]c1cccc(F)c1F)c1c(Cl)ccc(F)c1F ZINC000551470147 1031369625 /nfs/dbraw/zinc/36/96/25/1031369625.db2.gz KULAYQQRLWFWDU-UHFFFAOYSA-N -1 0 339.697 3.697 20 0 EHADRM Cc1cccc2cc(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)sc21 ZINC000668281924 1031380664 /nfs/dbraw/zinc/38/06/64/1031380664.db2.gz GAJSQYOBFHENRX-ZDUSSCGKSA-N -1 0 331.437 3.927 20 0 EHADRM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1cccc(CC(=O)[O-])c1 ZINC000668298936 1031423113 /nfs/dbraw/zinc/42/31/13/1031423113.db2.gz OHBISPDUYITORS-SFHVURJKSA-N -1 0 341.407 3.546 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1 ZINC000668304048 1031429551 /nfs/dbraw/zinc/42/95/51/1031429551.db2.gz BKDMPWHGZKWEIU-UQZDFYISSA-N -1 0 335.831 3.593 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(OC)c2O)cc1 ZINC000484060813 1031443432 /nfs/dbraw/zinc/44/34/32/1031443432.db2.gz QADDGGUEHSFVHI-LBPRGKRZSA-N -1 0 335.425 3.715 20 0 EHADRM CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000484061134 1031444425 /nfs/dbraw/zinc/44/44/25/1031444425.db2.gz RSAAQUNVDUGTOV-UHFFFAOYSA-N -1 0 327.352 3.553 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H](c3ccc(F)cc3)CC2)cc1 ZINC000668313957 1031454852 /nfs/dbraw/zinc/45/48/52/1031454852.db2.gz DTGQOQOYGDKFNN-CQSZACIVSA-N -1 0 341.382 3.934 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N(C)c1ccc(OCc2ccccc2)cc1 ZINC000668318177 1031474496 /nfs/dbraw/zinc/47/44/96/1031474496.db2.gz IEFMUNOLDFYCGS-OAHLLOKOSA-N -1 0 341.407 3.729 20 0 EHADRM Cc1ccc(-c2nnc([N-]S(=O)(=O)c3ccc(C)c(C)c3)o2)s1 ZINC000194841679 1031560040 /nfs/dbraw/zinc/56/00/40/1031560040.db2.gz YHMUNPYQEHTLKO-UHFFFAOYSA-N -1 0 349.437 3.524 20 0 EHADRM CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC000484456662 1031593361 /nfs/dbraw/zinc/59/33/61/1031593361.db2.gz ITSFIPPNFVPTFH-UHFFFAOYSA-N -1 0 339.436 3.630 20 0 EHADRM CCC[C@@H](NC(=O)CC1(C(=O)[O-])CCCC1)c1ccc(F)cc1F ZINC000343606647 1031600455 /nfs/dbraw/zinc/60/04/55/1031600455.db2.gz CZTJFLNCNDGNPO-OAHLLOKOSA-N -1 0 339.382 3.957 20 0 EHADRM COc1ccc([C@H](CCC(=O)[O-])NCc2nc(C(C)(C)C)co2)cc1 ZINC000904004897 1031621412 /nfs/dbraw/zinc/62/14/12/1031621412.db2.gz HIVIHZSUCFBDTC-HNNXBMFYSA-N -1 0 346.427 3.676 20 0 EHADRM O=C([O-])c1cc(Br)cc(NCc2cnc(C3CC3)o2)c1 ZINC000904007893 1031622969 /nfs/dbraw/zinc/62/29/69/1031622969.db2.gz VJDDMYITVYALCB-UHFFFAOYSA-N -1 0 337.173 3.625 20 0 EHADRM CC(C)n1ccnc1CN[C@]1(C(=O)[O-])CCC(C)(C)c2ccccc21 ZINC000904010475 1031628462 /nfs/dbraw/zinc/62/84/62/1031628462.db2.gz JHFHLTONBGGHCU-HXUWFJFHSA-N -1 0 341.455 3.605 20 0 EHADRM COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)Cc1ccc(O)c(F)c1 ZINC000448823416 1031726715 /nfs/dbraw/zinc/72/67/15/1031726715.db2.gz MBVWTUMMEPJAOG-GOSISDBHSA-N -1 0 343.398 3.618 20 0 EHADRM C[C@@H](N=c1[n-]nc(-c2cc(Cl)cc(Cl)c2)s1)[C@H]1CCOC1 ZINC000584132531 1031782386 /nfs/dbraw/zinc/78/23/86/1031782386.db2.gz FFFUSSAQKQZZDX-BDAKNGLRSA-N -1 0 344.267 3.771 20 0 EHADRM Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000180351762 1031843360 /nfs/dbraw/zinc/84/33/60/1031843360.db2.gz GJEDGEUDMWDZTL-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM Cc1coc(-c2cccc(N[C@@H]3C[C@H](NC(=O)[O-])C34CCC4)c2)n1 ZINC000904199563 1031844797 /nfs/dbraw/zinc/84/47/97/1031844797.db2.gz LTVKSFADEUBQKF-CABCVRRESA-N -1 0 327.384 3.641 20 0 EHADRM Oc1ccc(-c2noc(-c3cnc4ccc(F)cc4c3)n2)c(F)c1 ZINC000445455201 1031873417 /nfs/dbraw/zinc/87/34/17/1031873417.db2.gz JLWNKVDVWYVFGO-UHFFFAOYSA-N -1 0 325.274 3.936 20 0 EHADRM CCc1c([N-]S(=O)(=O)c2ccccc2CC)onc1C(F)(F)F ZINC000460576018 1031874130 /nfs/dbraw/zinc/87/41/30/1031874130.db2.gz HWJVDNYDYMDSCG-UHFFFAOYSA-N -1 0 348.346 3.619 20 0 EHADRM CC[C@@H](C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)C1CCC(C)CC1 ZINC000460666014 1031942971 /nfs/dbraw/zinc/94/29/71/1031942971.db2.gz DPLDCFLWONIHNI-SEEARECTSA-N -1 0 343.427 3.821 20 0 EHADRM O=C([O-])c1ccc([C@@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C(F)(F)F)cc1 ZINC000455911464 1031994701 /nfs/dbraw/zinc/99/47/01/1031994701.db2.gz BTLDVSYLUVEICX-ZOBORPQBSA-N -1 0 341.329 3.541 20 0 EHADRM C[C@H](CC(=O)N[C@](C)(CC(=O)[O-])c1cccc(F)c1)c1ccccc1 ZINC000449001892 1031998668 /nfs/dbraw/zinc/99/86/68/1031998668.db2.gz LQOADMCOMAKVRK-JLTOFOAXSA-N -1 0 343.398 3.826 20 0 EHADRM Cc1c(C(=O)[O-])cnn1-c1cccc(NC(=O)[C@@H]2CCC[C@H](C)C2)c1 ZINC000448989551 1031999286 /nfs/dbraw/zinc/99/92/86/1031999286.db2.gz GVRYVNICNFHNHK-GXTWGEPZSA-N -1 0 341.411 3.644 20 0 EHADRM CCCCSCCC(=O)N[C@@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC000448991480 1032001423 /nfs/dbraw/zinc/00/14/23/1032001423.db2.gz KDVIHDRTMJWGJB-KRWDZBQOSA-N -1 0 341.448 3.555 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)NC[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000666111496 1032015231 /nfs/dbraw/zinc/01/52/31/1032015231.db2.gz ONUQJIFBAGDUOV-CADBVGFASA-N -1 0 341.451 3.744 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)CCCC1 ZINC000574574711 1033303197 /nfs/dbraw/zinc/30/31/97/1033303197.db2.gz HWXHHTSENUYKKS-UHFFFAOYSA-N -1 0 335.375 3.731 20 0 EHADRM CCCCc1n[n-]c(=NCc2cc(Cl)cc(Cl)c2OC)o1 ZINC000537491034 1033378458 /nfs/dbraw/zinc/37/84/58/1033378458.db2.gz XQRBADOCFYRVBL-UHFFFAOYSA-N -1 0 330.215 3.762 20 0 EHADRM Fc1cccc(Cc2n[n-]c(=NCc3cc(Cl)ccc3F)o2)c1 ZINC000537490266 1033390649 /nfs/dbraw/zinc/39/06/49/1033390649.db2.gz FHLOBSIOBMFTGF-UHFFFAOYSA-N -1 0 335.741 3.626 20 0 EHADRM C[C@H](CNC(=O)c1c([O-])cc(Cl)cc1Cl)c1ccncc1 ZINC000080036047 1033495162 /nfs/dbraw/zinc/49/51/62/1033495162.db2.gz UZEPJEQTIXESMO-SECBINFHSA-N -1 0 325.195 3.628 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OCCF)cc1 ZINC000608102112 1033496633 /nfs/dbraw/zinc/49/66/33/1033496633.db2.gz HHPLVZJVJMMAFM-UHFFFAOYSA-N -1 0 343.807 3.798 20 0 EHADRM O=C(Nc1nc(C2CC2)cs1)c1ccc(Br)cc1[O-] ZINC000044491066 1033498774 /nfs/dbraw/zinc/49/87/74/1033498774.db2.gz XTPNNZMYKRCPLR-UHFFFAOYSA-N -1 0 339.214 3.741 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc3ccccc3s2)cc1 ZINC000059250570 1033512820 /nfs/dbraw/zinc/51/28/20/1033512820.db2.gz XUKLXUJFBFOCAT-UHFFFAOYSA-N -1 0 331.418 3.903 20 0 EHADRM O=C([O-])CCC[S@](=O)c1ccc(-c2ccc3c(c2)CCC3)cc1 ZINC000594874105 1033527331 /nfs/dbraw/zinc/52/73/31/1033527331.db2.gz QOYSKRSQDRACIO-QHCPKHFHSA-N -1 0 328.433 3.815 20 0 EHADRM COCc1cc(-c2ccc3c(c2)CC[C@@]32C[C@@H]2C(=O)[O-])ccc1OC ZINC000574822701 1033575808 /nfs/dbraw/zinc/57/58/08/1033575808.db2.gz CHSXKHZPFNJETB-WIYYLYMNSA-N -1 0 338.403 3.797 20 0 EHADRM C[C@@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1cc(Cl)ccc1Cl ZINC000608340084 1033602467 /nfs/dbraw/zinc/60/24/67/1033602467.db2.gz JIXDCYSAVDEAES-JLLWLGSASA-N -1 0 342.222 3.838 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc(Br)c1[O-] ZINC000608366572 1033639731 /nfs/dbraw/zinc/63/97/31/1033639731.db2.gz LNIUFTXDMBVRTI-GYSYKLTISA-N -1 0 338.245 3.948 20 0 EHADRM CCC[C@H](OC)C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000450048169 1033659040 /nfs/dbraw/zinc/65/90/40/1033659040.db2.gz WNEUZUHRUTXCFQ-JTQLQIEISA-N -1 0 336.613 3.562 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)c1 ZINC000476390566 1033722520 /nfs/dbraw/zinc/72/25/20/1033722520.db2.gz HRNXRXGQUHOUDS-UHFFFAOYSA-N -1 0 335.400 3.724 20 0 EHADRM CCCN(CCc1cccc(F)c1)C(=O)c1c([O-])cc(F)cc1F ZINC000603551774 1033745461 /nfs/dbraw/zinc/74/54/61/1033745461.db2.gz QLASDPGDOLWVDM-UHFFFAOYSA-N -1 0 337.341 3.904 20 0 EHADRM CCC(CC)(CC)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000761107137 1033746111 /nfs/dbraw/zinc/74/61/11/1033746111.db2.gz WAYAGXHQZWHUHE-UHFFFAOYSA-N -1 0 335.828 3.500 20 0 EHADRM C[C@@H](NC(=O)Cc1ccc(O)c(F)c1)c1cccc(N2CCCC2)c1 ZINC000450084701 1033746471 /nfs/dbraw/zinc/74/64/71/1033746471.db2.gz FQYTYOMHPBMOSB-CQSZACIVSA-N -1 0 342.414 3.551 20 0 EHADRM CCC(CC)(CC)C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000761113980 1033852553 /nfs/dbraw/zinc/85/25/53/1033852553.db2.gz LLKVZHXWEYMXSA-UHFFFAOYSA-N -1 0 335.469 3.636 20 0 EHADRM C[C@@H](CSc1ccccc1)N(C)C(=O)NCc1ccc(O)c(F)c1 ZINC000650900646 1033856930 /nfs/dbraw/zinc/85/69/30/1033856930.db2.gz MDMLGJLSUSPDTR-ZDUSSCGKSA-N -1 0 348.443 3.854 20 0 EHADRM O=C(Nc1cncc2ccccc21)c1nn(-c2ccccc2F)cc1[O-] ZINC000534019065 1034023737 /nfs/dbraw/zinc/02/37/37/1034023737.db2.gz HYLHMYGJIPYOPK-UHFFFAOYSA-N -1 0 348.337 3.518 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2N2CCCC2)c(C)s1 ZINC000120727771 1034087459 /nfs/dbraw/zinc/08/74/59/1034087459.db2.gz NMRBSQXWYXMVJV-UHFFFAOYSA-N -1 0 336.482 3.766 20 0 EHADRM COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2c([O-])cccc2F)c1 ZINC000119133038 1034098326 /nfs/dbraw/zinc/09/83/26/1034098326.db2.gz CVTHJXOTTKNNGK-HNNXBMFYSA-N -1 0 345.370 3.526 20 0 EHADRM Cc1oc([C@H](C)N2C[C@H](C)O[C@@H](c3ccccc3)C2)cc1C(=O)[O-] ZINC000517035208 1034120850 /nfs/dbraw/zinc/12/08/50/1034120850.db2.gz HDDUTRVIWQIKNV-ZJNRKIDTSA-N -1 0 329.396 3.809 20 0 EHADRM COc1ccccc1C[C@H]1CCCN1C(=O)c1ccc([O-])c(Cl)c1 ZINC000057558038 1034191645 /nfs/dbraw/zinc/19/16/45/1034191645.db2.gz OGDAAMQARBHPSQ-OAHLLOKOSA-N -1 0 345.826 3.902 20 0 EHADRM CCCCOc1ccc(OC)cc1NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000030521870 1034318050 /nfs/dbraw/zinc/31/80/50/1034318050.db2.gz GVENJMCNOFBCRX-UHFFFAOYSA-N -1 0 349.427 3.848 20 0 EHADRM COc1cc(Br)ccc1[C@@H](C)N=c1[n-]nc(C(C)C)o1 ZINC000450474010 1034391356 /nfs/dbraw/zinc/39/13/56/1034391356.db2.gz JBHRIFQATVUIIG-SECBINFHSA-N -1 0 340.221 3.559 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)c1ccc(Oc2ccccc2)cc1 ZINC000604708294 1034462473 /nfs/dbraw/zinc/46/24/73/1034462473.db2.gz JVXGSOZSBMTBCT-UHFFFAOYSA-N -1 0 331.375 3.821 20 0 EHADRM CC1(C)CCCC[C@@H]1CC(=O)N=c1nc(-c2cccnc2)[n-]s1 ZINC000534440115 1034543899 /nfs/dbraw/zinc/54/38/99/1034543899.db2.gz LFLXRBPYRPGQJL-CYBMUJFWSA-N -1 0 330.457 3.567 20 0 EHADRM C[C@@H]1CCc2c(C(=O)[N-]S(=O)(=O)c3ccccc3)csc2C1 ZINC000060488982 1034623536 /nfs/dbraw/zinc/62/35/36/1034623536.db2.gz MQHHOSHRAJLACU-LLVKDONJSA-N -1 0 335.450 3.566 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000456694652 1034662221 /nfs/dbraw/zinc/66/22/21/1034662221.db2.gz NDCJZDXFMFAFJB-OAHLLOKOSA-N -1 0 339.370 3.775 20 0 EHADRM O=C(N=c1[n-]nc(Cc2ccccc2)s1)c1cc2occc2s1 ZINC000605448974 1034738976 /nfs/dbraw/zinc/73/89/76/1034738976.db2.gz PODUAWKNIUZWMF-UHFFFAOYSA-N -1 0 341.417 3.611 20 0 EHADRM O=C(N=c1nc(-c2ccccc2)[n-]s1)c1cc2occc2s1 ZINC000605456122 1034743580 /nfs/dbraw/zinc/74/35/80/1034743580.db2.gz QUWYJXPTNYHCDE-UHFFFAOYSA-N -1 0 327.390 3.687 20 0 EHADRM CC(C)(c1ccccc1)C1(NC(=O)c2cc(F)c([O-])c(F)c2)CC1 ZINC000456809099 1034761912 /nfs/dbraw/zinc/76/19/12/1034761912.db2.gz LGDJHOFHELKHQR-UHFFFAOYSA-N -1 0 331.362 3.911 20 0 EHADRM Cc1ccc(CN(C)C(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)cc1 ZINC000060603825 1034816854 /nfs/dbraw/zinc/81/68/54/1034816854.db2.gz BUYZSPMXFPXETC-UHFFFAOYSA-N -1 0 339.420 3.579 20 0 EHADRM C[C@@H](S[C@H](C)C(=O)Nc1ccccc1CCC(F)(F)F)C(=O)[O-] ZINC000601985758 1034848405 /nfs/dbraw/zinc/84/84/05/1034848405.db2.gz CJXZBQBYTIMSKJ-NXEZZACHSA-N -1 0 349.374 3.715 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000601985985 1034849269 /nfs/dbraw/zinc/84/92/69/1034849269.db2.gz OMZKOJKPKMQJDX-CYBMUJFWSA-N -1 0 343.477 3.896 20 0 EHADRM Cc1cc(Br)ccc1CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000431654763 1034892035 /nfs/dbraw/zinc/89/20/35/1034892035.db2.gz SOSDNNQYLOWUJQ-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM CCc1ccc(S(=O)(=O)Nc2cccc(C3CCOCC3)c2)cc1 ZINC000530144263 1035005037 /nfs/dbraw/zinc/00/50/37/1035005037.db2.gz DSEXIOQUZITJCK-UHFFFAOYSA-N -1 0 345.464 3.944 20 0 EHADRM CCCN1Cc2cccc([N-]S(=O)(=O)c3cc(C)cs3)c2C1 ZINC000450994297 1035005332 /nfs/dbraw/zinc/00/53/32/1035005332.db2.gz YJTWGGYVZGGKSZ-UHFFFAOYSA-N -1 0 336.482 3.583 20 0 EHADRM CC(C)CO[C@H]1CCN(C(=O)c2c([O-])cc(Cl)cc2Cl)C1 ZINC000161520038 1035031046 /nfs/dbraw/zinc/03/10/46/1035031046.db2.gz ZHJILYPCBFGYLR-NSHDSACASA-N -1 0 332.227 3.586 20 0 EHADRM CCCc1nc(C)c([N-]S(=O)(=O)c2sccc2Cl)s1 ZINC000451034973 1035035683 /nfs/dbraw/zinc/03/56/83/1035035683.db2.gz ZDLYOOYCALULSB-UHFFFAOYSA-N -1 0 336.891 3.920 20 0 EHADRM Cc1csc(S(=O)(=O)[N-]c2cn(CC(C)C)nc2C(F)F)c1 ZINC000451026726 1035048126 /nfs/dbraw/zinc/04/81/26/1035048126.db2.gz NWNNABAPQUOPJZ-UHFFFAOYSA-N -1 0 349.428 3.647 20 0 EHADRM CC(C)[C@H]1N(C(=O)N=c2[n-]nc(-c3ccccc3)s2)CC1(C)C ZINC000431715225 1035352834 /nfs/dbraw/zinc/35/28/34/1035352834.db2.gz JWTORFYKQFERJN-CYBMUJFWSA-N -1 0 330.457 3.525 20 0 EHADRM CCc1c(NC(=O)c2cc(SC)ccc2O)cnn1CC(C)C ZINC000613018449 1035360356 /nfs/dbraw/zinc/36/03/56/1035360356.db2.gz LLCVSEKHFSEMGX-UHFFFAOYSA-N -1 0 333.457 3.781 20 0 EHADRM CSc1cccc(S(=O)(=O)[N-]c2nc(C3CCC3)cs2)c1 ZINC000548985831 1035391893 /nfs/dbraw/zinc/39/18/93/1035391893.db2.gz OLWXGWOTDXRHNG-UHFFFAOYSA-N -1 0 340.495 3.933 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)Nc3cccc(O)c3)n2)c1 ZINC000548987594 1035394897 /nfs/dbraw/zinc/39/48/97/1035394897.db2.gz CTMMFHYCXRLMNL-UHFFFAOYSA-N -1 0 337.379 3.659 20 0 EHADRM CO[C@H]1CC[C@H](C(=O)Nc2cc(Br)cc(Cl)c2[O-])C1 ZINC000613113254 1035408089 /nfs/dbraw/zinc/40/80/89/1035408089.db2.gz OJMBEMHMBRUWGN-CBAPKCEASA-N -1 0 348.624 3.562 20 0 EHADRM CC[C@@H]1CC[C@@H](C)N1C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000613235251 1035465245 /nfs/dbraw/zinc/46/52/45/1035465245.db2.gz JICKDEJUFMYUQI-DGCLKSJQSA-N -1 0 333.819 3.634 20 0 EHADRM Cc1cc(C)c(CC(=O)N[C@H](CC(=O)[O-])c2ccccc2C)c(C)c1 ZINC000431777411 1035471577 /nfs/dbraw/zinc/47/15/77/1035471577.db2.gz AVSINWRFQHMPES-LJQANCHMSA-N -1 0 339.435 3.795 20 0 EHADRM O=C([O-])c1ccccc1CCN(Cc1c(F)cccc1F)C1CC1 ZINC000571451749 1035497573 /nfs/dbraw/zinc/49/75/73/1035497573.db2.gz ABAOTISQFWVCLD-UHFFFAOYSA-N -1 0 331.362 3.870 20 0 EHADRM CC(C)c1cccc(-c2ccc(C(=O)NC[C@@H](C)CC(=O)[O-])o2)c1 ZINC000431791976 1035515839 /nfs/dbraw/zinc/51/58/39/1035515839.db2.gz AJOVHNHMADIVEC-ZDUSSCGKSA-N -1 0 329.396 3.911 20 0 EHADRM CO[C@@H](C)c1nc(=Nc2ccc(-c3nc(C)cs3)cc2)s[n-]1 ZINC000509713968 1035522097 /nfs/dbraw/zinc/52/20/97/1035522097.db2.gz PFIPSFDVQLCTGE-JTQLQIEISA-N -1 0 332.454 3.843 20 0 EHADRM COc1ccc2cc(CN=c3[n-]nc(CC(C)(C)C)o3)ccc2c1 ZINC000540706154 1035587373 /nfs/dbraw/zinc/58/73/73/1035587373.db2.gz BNZQJNGISKAGJR-UHFFFAOYSA-N -1 0 325.412 3.854 20 0 EHADRM O=C(N=c1[n-]nc(C(F)(F)F)s1)N[C@H]1CCCCC12CCCC2 ZINC000463542194 1035610224 /nfs/dbraw/zinc/61/02/24/1035610224.db2.gz LEBOAOGSSPOAKP-VIFPVBQESA-N -1 0 348.394 3.603 20 0 EHADRM O=C(CCC1CCCCC1)N[N-]C(=O)c1c(F)cccc1Cl ZINC000066556146 1035684912 /nfs/dbraw/zinc/68/49/12/1035684912.db2.gz MPWVPJIZQBKJFD-UHFFFAOYSA-N -1 0 326.799 3.601 20 0 EHADRM CC(C)CCOc1ccc(CN=c2[n-]nc(-c3ccco3)o2)cc1 ZINC000540807862 1035699699 /nfs/dbraw/zinc/69/96/99/1035699699.db2.gz WHRNKNIVSMNTSJ-UHFFFAOYSA-N -1 0 327.384 3.789 20 0 EHADRM CCCCCc1n[n-]c(=NCc2nc3ccccc3n2CC)s1 ZINC000540806782 1035700338 /nfs/dbraw/zinc/70/03/38/1035700338.db2.gz DQSRGJGVGRBWCL-UHFFFAOYSA-N -1 0 329.473 3.674 20 0 EHADRM CC(C)CCC(=O)N[N-]C(=O)c1oc2ccccc2c1COC(C)C ZINC000066574220 1035769004 /nfs/dbraw/zinc/76/90/04/1035769004.db2.gz AUCWBFMUZDYHIF-UHFFFAOYSA-N -1 0 346.427 3.555 20 0 EHADRM C[C@@H](Cc1ccc(-c2ccc(NC(=O)C(C)(C)C)nc2)cc1)C(=O)[O-] ZINC000571940606 1035840678 /nfs/dbraw/zinc/84/06/78/1035840678.db2.gz XXFUSCRKWVCHGT-ZDUSSCGKSA-N -1 0 340.423 3.996 20 0 EHADRM Cc1cc(-c2cccc(Cl)c2)ccc1[N-]S(=O)(=O)c1cn[nH]c1 ZINC000588631587 1035921415 /nfs/dbraw/zinc/92/14/15/1035921415.db2.gz FPVPUCBEYSCKQH-UHFFFAOYSA-N -1 0 347.827 3.839 20 0 EHADRM Cc1ccc(C2(C(=O)Nc3ccc(F)c(F)c3[O-])CCOCC2)cc1 ZINC000457294122 1035924888 /nfs/dbraw/zinc/92/48/88/1035924888.db2.gz NIPVAMVRTRPRFY-UHFFFAOYSA-N -1 0 347.361 3.666 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)c2c(C)ccc(C)c2C(=O)[O-])cc1F ZINC000327787882 1035929740 /nfs/dbraw/zinc/92/97/40/1035929740.db2.gz RBRHJAVHWBBLJR-GFCCVEGCSA-N -1 0 345.370 3.640 20 0 EHADRM COc1ccc(/C=C/C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)nc1 ZINC000492546407 1035959911 /nfs/dbraw/zinc/95/99/11/1035959911.db2.gz CVYZANRCAJNDGQ-HWKANZROSA-N -1 0 339.178 3.755 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc3c2OCO3)cc1 ZINC000541083735 1035966853 /nfs/dbraw/zinc/96/68/53/1035966853.db2.gz BJDHJHSVEJQHED-UHFFFAOYSA-N -1 0 333.409 3.514 20 0 EHADRM CCc1noc(C)c1[N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000164852923 1035972497 /nfs/dbraw/zinc/97/24/97/1035972497.db2.gz UCDJAOZHRKGHGX-CMDGGOBGSA-N -1 0 326.805 3.611 20 0 EHADRM CCC[C@H]1CCCCN1C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000613485817 1036048828 /nfs/dbraw/zinc/04/88/28/1036048828.db2.gz CKDDKFUBKRUSQS-ZDUSSCGKSA-N -1 0 349.381 3.651 20 0 EHADRM O=C(N=c1nc(-c2ccccc2Cl)[n-]s1)[C@H]1CCCCS1 ZINC000541219393 1036096383 /nfs/dbraw/zinc/09/63/83/1036096383.db2.gz LXHIUMQSEHGJHS-LLVKDONJSA-N -1 0 339.873 3.505 20 0 EHADRM O=S(=O)(/C=C/c1ccc(F)cc1)Nc1cc(Cl)c(Cl)cn1 ZINC000178188558 1036123225 /nfs/dbraw/zinc/12/32/25/1036123225.db2.gz PVRNGSCFVYSKKS-AATRIKPKSA-N -1 0 347.198 3.940 20 0 EHADRM C/C=C/c1ccc([N-]S(=O)(=O)c2ccccc2C(=O)OCC)cc1 ZINC000588853535 1036143781 /nfs/dbraw/zinc/14/37/81/1036143781.db2.gz JHVHPQYHEGACIG-XVNBXDOJSA-N -1 0 345.420 3.697 20 0 EHADRM CC(=O)Nc1ccc(/C=C\C(=O)Nc2cc(F)cc(Cl)c2[O-])cc1 ZINC000492702288 1036192248 /nfs/dbraw/zinc/19/22/48/1036192248.db2.gz GRGHMMSSVNLBJP-DAXSKMNVSA-N -1 0 348.761 3.795 20 0 EHADRM Cc1cccc([C@H]2CCN(C(=O)N=c3[n-]nc(C(C)(C)C)s3)C2)c1 ZINC000541421106 1036290569 /nfs/dbraw/zinc/29/05/69/1036290569.db2.gz KMLSRFLKFOICRS-AWEZNQCLSA-N -1 0 344.484 3.587 20 0 EHADRM COC(=O)c1ccc(/C=C/C(=O)Nc2cc(Cl)c([O-])cc2F)cc1 ZINC000492803339 1036298218 /nfs/dbraw/zinc/29/82/18/1036298218.db2.gz VFPJNZLNBWRVSU-QPJJXVBHSA-N -1 0 349.745 3.623 20 0 EHADRM O=C(c1ccc(Cl)cc1O)N(CCc1ccccc1)[C@H]1CCOC1 ZINC000175287648 1036300956 /nfs/dbraw/zinc/30/09/56/1036300956.db2.gz IMYDHIZNZHZXAL-INIZCTEOSA-N -1 0 345.826 3.519 20 0 EHADRM CCCOc1ccc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000392942752 1036301524 /nfs/dbraw/zinc/30/15/24/1036301524.db2.gz WHSMAERZQAKIPH-HXUWFJFHSA-N -1 0 341.407 3.847 20 0 EHADRM C[C@H]1CCc2sc(C(=O)N=c3ncn(C4CCCCC4)[n-]3)cc2C1 ZINC000541442019 1036313357 /nfs/dbraw/zinc/31/33/57/1036313357.db2.gz NBEFSAXQVINGHX-LBPRGKRZSA-N -1 0 344.484 3.644 20 0 EHADRM Cc1cc(Cl)ccc1CN=c1[n-]nc(CCc2ccccc2)o1 ZINC000464336205 1036359635 /nfs/dbraw/zinc/35/96/35/1036359635.db2.gz KYKFMHNVHSHYQD-UHFFFAOYSA-N -1 0 327.815 3.851 20 0 EHADRM O=C([O-])CN(Cc1ccc(Cl)c2cccnc12)c1ccccc1 ZINC000321836377 1036376365 /nfs/dbraw/zinc/37/63/65/1036376365.db2.gz GREUNYQSARFIJZ-UHFFFAOYSA-N -1 0 326.783 3.979 20 0 EHADRM C[C@]1(C(=O)Nc2cc(Cl)cc(Br)c2[O-])CCCCO1 ZINC000457684538 1036392706 /nfs/dbraw/zinc/39/27/06/1036392706.db2.gz YVBRHCGKSNAFJL-CYBMUJFWSA-N -1 0 348.624 3.706 20 0 EHADRM Cc1cc2c(cc1C)[C@@H](C(=O)Nc1cc(Cl)c([O-])cc1F)CO2 ZINC000376379113 1036394524 /nfs/dbraw/zinc/39/45/24/1036394524.db2.gz WJMJORYJJVVJMU-NSHDSACASA-N -1 0 335.762 3.916 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2C[C@@H](C)CC(C)(C)C2)n1 ZINC000541511587 1036395727 /nfs/dbraw/zinc/39/57/27/1036395727.db2.gz NPTLHUTWEVGSEL-LBPRGKRZSA-N -1 0 345.418 3.534 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]c1cccnc1Oc1ccccc1 ZINC000589431733 1036426821 /nfs/dbraw/zinc/42/68/21/1036426821.db2.gz MVGABJCROCBAFR-UHFFFAOYSA-N -1 0 340.404 3.983 20 0 EHADRM O=S(=O)(N[C@H]1CSc2ccccc21)c1c(F)cccc1Cl ZINC000464430427 1036431658 /nfs/dbraw/zinc/43/16/58/1036431658.db2.gz ZEQYWJZPXJQZOY-LBPRGKRZSA-N -1 0 343.832 3.604 20 0 EHADRM C[C@@H]1Oc2ccccc2[C@H]1NC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1 ZINC000572641583 1036442265 /nfs/dbraw/zinc/44/22/65/1036442265.db2.gz OGQRPWLUJQGVRZ-YHJVDBJQSA-N -1 0 345.439 3.686 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1cnc(C(F)(F)F)cc1C ZINC000685902171 1036499008 /nfs/dbraw/zinc/49/90/08/1036499008.db2.gz HFDAEECYPNAMFL-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1nc(C(=O)[O-])co1 ZINC000572774109 1036516312 /nfs/dbraw/zinc/51/63/12/1036516312.db2.gz TVVLVKZLZIVRQF-MRVPVSSYSA-N -1 0 329.183 3.873 20 0 EHADRM FC(F)(F)c1nc(=NCc2cccc(-c3ccccn3)c2)s[n-]1 ZINC000376407167 1036566854 /nfs/dbraw/zinc/56/68/54/1036566854.db2.gz KWOQFDBLVDQDEI-UHFFFAOYSA-N -1 0 336.342 3.653 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000263173944 1036603907 /nfs/dbraw/zinc/60/39/07/1036603907.db2.gz JQEXMCGHNRQKLX-MWLCHTKSSA-N -1 0 335.400 3.674 20 0 EHADRM CC(C)Oc1ccc(NC(=O)NC[C@H](C(=O)[O-])C(C)C)c(Cl)c1 ZINC000653543441 1036605511 /nfs/dbraw/zinc/60/55/11/1036605511.db2.gz NDWVRVMNZIDJSL-LBPRGKRZSA-N -1 0 342.823 3.606 20 0 EHADRM C[C@@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1cc(F)c(Cl)cc1Cl ZINC000263200072 1036625539 /nfs/dbraw/zinc/62/55/39/1036625539.db2.gz JUJMJPLLXUUROR-HLTSFMKQSA-N -1 0 348.201 3.811 20 0 EHADRM Cc1ccc(SCC(=O)N=c2nc(C(C)(C)C)[n-]s2)c(C)c1 ZINC000589938220 1036666864 /nfs/dbraw/zinc/66/68/64/1036666864.db2.gz MEBRACOKCLBWNK-UHFFFAOYSA-N -1 0 335.498 3.605 20 0 EHADRM Cc1ccc(C)c(SCC(=O)N=c2nc(C(C)(C)C)[n-]s2)c1 ZINC000589936641 1036667113 /nfs/dbraw/zinc/66/71/13/1036667113.db2.gz DRRLFQBVADHZAL-UHFFFAOYSA-N -1 0 335.498 3.605 20 0 EHADRM COc1ncc(C)cc1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000176717487 1036680047 /nfs/dbraw/zinc/68/00/47/1036680047.db2.gz QUBSFVFHAXVHCM-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)CCc2ccc(Cl)s2)s[n-]1 ZINC000589937715 1036686694 /nfs/dbraw/zinc/68/66/94/1036686694.db2.gz SEVZWYYZNQUGJL-UHFFFAOYSA-N -1 0 329.878 3.544 20 0 EHADRM CCc1cnc(CN=c2[n-]nc(-c3cc4c(s3)CCCC4)o2)s1 ZINC000541834890 1036699768 /nfs/dbraw/zinc/69/97/68/1036699768.db2.gz UYSRCNURUAMMJJ-UHFFFAOYSA-N -1 0 346.481 3.730 20 0 EHADRM O=C(Nc1cccc2ccncc21)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000541854235 1036713424 /nfs/dbraw/zinc/71/34/24/1036713424.db2.gz HTXQKLWOHCKRHZ-UHFFFAOYSA-N -1 0 348.337 3.518 20 0 EHADRM CC(C)Cc1ncc([N-]S(=O)(=O)c2ccc3ccccc3c2)cn1 ZINC000475827852 1036737357 /nfs/dbraw/zinc/73/73/57/1036737357.db2.gz KRMXEURXJCPSCS-UHFFFAOYSA-N -1 0 341.436 3.629 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(c2nc3cc(Cl)cc(Cl)c3o2)C1 ZINC000263290477 1036759023 /nfs/dbraw/zinc/75/90/23/1036759023.db2.gz YQYVDWKFEIQWSR-YUMQZZPRSA-N -1 0 329.183 3.682 20 0 EHADRM Cc1[nH]c2ccc(C(=O)N=c3nc(C(C)(C)C)[n-]s3)cc2c1C ZINC000590120267 1036763953 /nfs/dbraw/zinc/76/39/53/1036763953.db2.gz XTSRGXMMQUPDBV-UHFFFAOYSA-N -1 0 328.441 3.608 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)[C@@H]3CC[C@H](C(=O)[O-])C3)cc2s1 ZINC000263333305 1036793528 /nfs/dbraw/zinc/79/35/28/1036793528.db2.gz QHUZHQIIEVZBHM-MNOVXSKESA-N -1 0 332.425 3.859 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)cc1 ZINC000103060024 1036800334 /nfs/dbraw/zinc/80/03/34/1036800334.db2.gz XAVACPRLIXBFDW-LBPRGKRZSA-N -1 0 331.441 3.668 20 0 EHADRM CC(C)C[C@H](NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000263355693 1036806420 /nfs/dbraw/zinc/80/64/20/1036806420.db2.gz QTMUZURYPKFXLV-OIISXLGYSA-N -1 0 332.444 3.526 20 0 EHADRM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000263371143 1036831713 /nfs/dbraw/zinc/83/17/13/1036831713.db2.gz YESORCXIWWEMMJ-HNNXBMFYSA-N -1 0 337.419 3.755 20 0 EHADRM Cc1cccc(N=c2[n-]nc(S[C@H](C)C(=O)C3CC3)s2)c1C ZINC000539511744 1036838449 /nfs/dbraw/zinc/83/84/49/1036838449.db2.gz ITXGZKNWKUKSQH-LLVKDONJSA-N -1 0 333.482 3.780 20 0 EHADRM O=S(=O)(CCCCF)[N-]c1ncc(-c2ccc(Cl)cc2)s1 ZINC000685915913 1036842591 /nfs/dbraw/zinc/84/25/91/1036842591.db2.gz YFKJTJXOSLOBNV-UHFFFAOYSA-N -1 0 348.852 3.955 20 0 EHADRM COCc1n[n-]c(=N[C@@H](c2ccc(Cl)cc2F)C(C)C)s1 ZINC000541945693 1036850520 /nfs/dbraw/zinc/85/05/20/1036850520.db2.gz NRKBLXNCZAVKCW-CYBMUJFWSA-N -1 0 329.828 3.708 20 0 EHADRM CCO[N-]C(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000057428267 1036874346 /nfs/dbraw/zinc/87/43/46/1036874346.db2.gz WMHXJGSPYFAKGM-SNVBAGLBSA-N -1 0 340.832 3.684 20 0 EHADRM Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1 ZINC000464845690 1036886427 /nfs/dbraw/zinc/88/64/27/1036886427.db2.gz OSCPYCHEHJMILE-UHFFFAOYSA-N -1 0 335.425 3.597 20 0 EHADRM CC(C)Cc1ncc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cn1 ZINC000475834475 1036898396 /nfs/dbraw/zinc/89/83/96/1036898396.db2.gz OZSWPYAHKFDFST-UHFFFAOYSA-N -1 0 333.457 3.599 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](C(=O)[O-])C3)cc2)cc1 ZINC000263464927 1036957022 /nfs/dbraw/zinc/95/70/22/1036957022.db2.gz FWDAUTORZLQIBB-CQSZACIVSA-N -1 0 340.379 3.726 20 0 EHADRM O=C([O-])c1c[nH]c2cccc(-c3cccc(CO[C@@H]4CCOC4)c3)c21 ZINC000519426144 1036975755 /nfs/dbraw/zinc/97/57/55/1036975755.db2.gz FYYLBNUHOGNKSU-OAHLLOKOSA-N -1 0 337.375 3.839 20 0 EHADRM Cc1ccc(NCc2ccc(C(=O)[O-])cc2)c(OC[C@H]2CCCO2)c1 ZINC000263508453 1037019477 /nfs/dbraw/zinc/01/94/77/1037019477.db2.gz XXPXEAUFRFCVKY-QGZVFWFLSA-N -1 0 341.407 3.863 20 0 EHADRM Cc1nc([C@H](C)NC(=O)[C@H](c2ccccc2)C2CC2)sc1C(=O)[O-] ZINC000263526865 1037040545 /nfs/dbraw/zinc/04/05/45/1037040545.db2.gz KIYBZRJLEACBNP-SMDDNHRTSA-N -1 0 344.436 3.521 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCc1ccc(Cl)cc1Cl ZINC000263527527 1037040819 /nfs/dbraw/zinc/04/08/19/1037040819.db2.gz UTJHUDHYLXCHHS-ZYHUDNBSSA-N -1 0 344.238 3.638 20 0 EHADRM CCCCCc1n[n-]c(=NCc2c[nH]nc2-c2ccccc2)s1 ZINC000539707743 1037097431 /nfs/dbraw/zinc/09/74/31/1037097431.db2.gz ONCLQYIPTVKCNW-UHFFFAOYSA-N -1 0 327.457 3.695 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)NCC2CCCCC2)CC1 ZINC000666509781 1037160452 /nfs/dbraw/zinc/16/04/52/1037160452.db2.gz FXPLIRYBGJSXFD-UHFFFAOYSA-N -1 0 344.455 3.854 20 0 EHADRM COc1ccc(/C=C(\CC(=O)[O-])c2nc3ccccc3o2)cc1O ZINC000008429304 1037244873 /nfs/dbraw/zinc/24/48/73/1037244873.db2.gz QMMZRLFLFVLABR-XYOKQWHBSA-N -1 0 325.320 3.557 20 0 EHADRM Cc1cc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)cc(C)c1O ZINC001211916625 1037256616 /nfs/dbraw/zinc/25/66/16/1037256616.db2.gz FHXJQGADQLSMCR-UHFFFAOYSA-N -1 0 327.789 3.653 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)c1cc(C(=O)[O-])oc1C ZINC000659118534 1037293884 /nfs/dbraw/zinc/29/38/84/1037293884.db2.gz JFNWTMZBHVKNEQ-UHFFFAOYSA-N -1 0 327.789 3.663 20 0 EHADRM CCC[C@@](C)(NC(=O)Nc1ccc(Br)c(C)c1)C(=O)[O-] ZINC000040536980 1037311645 /nfs/dbraw/zinc/31/16/45/1037311645.db2.gz LVPHXSFBJVRVQV-CQSZACIVSA-N -1 0 343.221 3.522 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)[C@@]2(c3ccccc3)CC2(C)C)C1 ZINC000659146817 1037380273 /nfs/dbraw/zinc/38/02/73/1037380273.db2.gz WZGGXQBJVPFGAH-KKSFZXQISA-N -1 0 343.467 3.704 20 0 EHADRM CCc1ccsc1C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000058042808 1037398816 /nfs/dbraw/zinc/39/88/16/1037398816.db2.gz HPAMBYUWZTYDTL-UHFFFAOYSA-N -1 0 347.461 3.932 20 0 EHADRM O=C([O-])C12CC(C1)CN2C(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000659177670 1037418671 /nfs/dbraw/zinc/41/86/71/1037418671.db2.gz CUEKQUGRKWIUDA-UHFFFAOYSA-N -1 0 347.823 3.758 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2-c2cn[nH]c2)c1 ZINC000542468152 1037419151 /nfs/dbraw/zinc/41/91/51/1037419151.db2.gz MNCAIKQORGNPLY-UHFFFAOYSA-N -1 0 347.827 3.839 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2cc(SC)ccc2C)n1 ZINC000659184602 1037438400 /nfs/dbraw/zinc/43/84/00/1037438400.db2.gz GRDLRJYOEXQXIV-AWEZNQCLSA-N -1 0 347.440 3.592 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)C[C@H](CC)c2ccccc2)n1 ZINC000659185927 1037441012 /nfs/dbraw/zinc/44/10/12/1037441012.db2.gz DPNIGOMRDWSRSD-HOCLYGCPSA-N -1 0 343.427 3.831 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc3c(c2)CCCC3)[C@@H]2CCCC[C@H]12 ZINC000659192748 1037460036 /nfs/dbraw/zinc/46/00/36/1037460036.db2.gz GYXYGIGRIHCGGR-GUDVDZBRSA-N -1 0 341.451 3.671 20 0 EHADRM O=C(N=c1[n-]nc(C2CC2)s1)N[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000573420208 1037489999 /nfs/dbraw/zinc/48/99/99/1037489999.db2.gz LSAIVPZCPAJFKW-LSDHHAIUSA-N -1 0 342.468 3.685 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)CCc1ccc(-c2ccccc2)o1 ZINC000659237068 1037552024 /nfs/dbraw/zinc/55/20/24/1037552024.db2.gz WSLMCHBJVWUPDH-XLIONFOSSA-N -1 0 341.407 3.639 20 0 EHADRM CC[C@@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000928966176 1037555124 /nfs/dbraw/zinc/55/51/24/1037555124.db2.gz HNKGLORLMDMSDD-VHSXEESVSA-N -1 0 347.242 3.658 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000659239815 1037559313 /nfs/dbraw/zinc/55/93/13/1037559313.db2.gz WCPPZXCTPZSMCL-NTLWEQJWSA-N -1 0 337.419 3.703 20 0 EHADRM CC(C)(C(=O)N[C@H]1CCC[C@@]1(C)C(=O)[O-])c1ccc(Cl)cc1F ZINC000659240474 1037564617 /nfs/dbraw/zinc/56/46/17/1037564617.db2.gz BLSHALPKHWIEKF-SUMWQHHRSA-N -1 0 341.810 3.516 20 0 EHADRM O=C([O-])CCCCNC(=O)CC1(CCc2ccccc2)CCCC1 ZINC000532601392 1037833607 /nfs/dbraw/zinc/83/36/07/1037833607.db2.gz QWTPIBJDHZZINB-UHFFFAOYSA-N -1 0 331.456 3.941 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000669434568 1037853253 /nfs/dbraw/zinc/85/32/53/1037853253.db2.gz UIEQFUMMYPPHNQ-BRWVUGGUSA-N -1 0 339.366 3.534 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)cc1F ZINC000303945268 1037889026 /nfs/dbraw/zinc/88/90/26/1037889026.db2.gz GRHNPQDQNOJQTO-UHFFFAOYSA-N -1 0 349.305 3.675 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)c2cc(F)cc(Cl)c2[O-])n1 ZINC000119320481 1037897372 /nfs/dbraw/zinc/89/73/72/1037897372.db2.gz ANSIKBVQOXTIEL-HNNXBMFYSA-N -1 0 334.778 3.865 20 0 EHADRM O=C(NCc1ccc2ccccc2c1)c1cc(F)c(F)c([O-])c1F ZINC000183373486 1037944785 /nfs/dbraw/zinc/94/47/85/1037944785.db2.gz KSRMRHJVUMVPDJ-UHFFFAOYSA-N -1 0 331.293 3.893 20 0 EHADRM Cc1nc2ccc(CN=c3[n-]nc(CC(F)(F)F)s3)cc2s1 ZINC000492150722 1038041693 /nfs/dbraw/zinc/04/16/93/1038041693.db2.gz JVFRNPTWOIPGDD-UHFFFAOYSA-N -1 0 344.387 3.595 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)/C=C\c1ccc(C(F)(F)F)cc1 ZINC000492198942 1038092632 /nfs/dbraw/zinc/09/26/32/1038092632.db2.gz PJJRTUDYZZVOLV-YFHOEESVSA-N -1 0 349.308 3.984 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)/C=C\c2ccccc2OC(F)F)c1 ZINC000492216695 1038114624 /nfs/dbraw/zinc/11/46/24/1038114624.db2.gz YOBFVKXYSMEPBJ-HJWRWDBZSA-N -1 0 347.317 3.567 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)c(O)c1 ZINC000461346444 1038340698 /nfs/dbraw/zinc/34/06/98/1038340698.db2.gz YWPYUGYXGGDJCN-UHFFFAOYSA-N -1 0 337.344 3.582 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCSc1ccccc1)C1CCCCC1 ZINC000538505627 1038346393 /nfs/dbraw/zinc/34/63/93/1038346393.db2.gz GBHFILJVMQVVSX-INIZCTEOSA-N -1 0 335.469 3.709 20 0 EHADRM COc1c(C)cc(CN=c2[n-]nc(CCc3ccccc3)o2)cc1C ZINC000538506643 1038347658 /nfs/dbraw/zinc/34/76/58/1038347658.db2.gz MQPLGFZODAPKPG-UHFFFAOYSA-N -1 0 337.423 3.514 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)NCCc2cccc(C(=O)[O-])c2)cc1 ZINC000538577602 1038399071 /nfs/dbraw/zinc/39/90/71/1038399071.db2.gz BRQCTRIAHDWYDR-OAHLLOKOSA-N -1 0 339.435 3.800 20 0 EHADRM Fc1c(Cl)cccc1CN=c1[n-]nc(CCc2ccccc2)o1 ZINC000538592936 1038405428 /nfs/dbraw/zinc/40/54/28/1038405428.db2.gz KAPZODAWZOICNI-UHFFFAOYSA-N -1 0 331.778 3.681 20 0 EHADRM C[C@@H]1[C@H](C(=O)Nc2cc(Cl)cc(Br)c2[O-])C1(F)F ZINC000461446539 1038428922 /nfs/dbraw/zinc/42/89/22/1038428922.db2.gz JYGFPZVIMNZTQI-SPGJFGJESA-N -1 0 340.551 3.648 20 0 EHADRM CCCc1n[n-]c(=NCc2cnc(-c3ccc(C)cc3)s2)s1 ZINC000538608557 1038433079 /nfs/dbraw/zinc/43/30/79/1038433079.db2.gz WGCZIJHLCSXHJA-UHFFFAOYSA-N -1 0 330.482 3.957 20 0 EHADRM C[C@H]1[C@H](C(=O)Nc2cc(Br)cc(Cl)c2[O-])C1(F)F ZINC000461455687 1038438669 /nfs/dbraw/zinc/43/86/69/1038438669.db2.gz DXFKXCLXRNLQDJ-RNHFCUEFSA-N -1 0 340.551 3.648 20 0 EHADRM C[C@@]1(c2ccccc2)CCN(C(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000363807342 1038498798 /nfs/dbraw/zinc/49/87/98/1038498798.db2.gz VCYILBGQHUCSJL-GOSISDBHSA-N -1 0 335.325 3.613 20 0 EHADRM O=C(Nc1ccc2c(c1)CCC2)c1ccc(Br)c([O-])c1 ZINC000228316050 1038548566 /nfs/dbraw/zinc/54/85/66/1038548566.db2.gz OIVLRXNBVZADDZ-UHFFFAOYSA-N -1 0 332.197 3.896 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cnc3onc(C)c3c2)cc1 ZINC000462105362 1038752620 /nfs/dbraw/zinc/75/26/20/1038752620.db2.gz SWXGRULMWOLNGX-LLVKDONJSA-N -1 0 345.424 3.846 20 0 EHADRM C[C@H]1CCc2sc(C(=O)N=c3[n-]nc(C(C)(C)C)s3)cc2C1 ZINC000615152136 1038770904 /nfs/dbraw/zinc/77/09/04/1038770904.db2.gz BHHBPFJZZFMDNS-VIFPVBQESA-N -1 0 335.498 3.696 20 0 EHADRM c1c[nH]c(-c2cccc(CN=c3[n-]nc(Cc4ccccc4)s3)c2)n1 ZINC000554007945 1038781645 /nfs/dbraw/zinc/78/16/45/1038781645.db2.gz QRINQHXPVZCWNF-UHFFFAOYSA-N -1 0 347.447 3.553 20 0 EHADRM O=C([O-])C12CCC(C(=O)NCc3cc(C4CC4)ccc3F)(CC1)CC2 ZINC000910252964 1038789274 /nfs/dbraw/zinc/78/92/74/1038789274.db2.gz IYOOYPDNPUFTLC-UHFFFAOYSA-N -1 0 345.414 3.745 20 0 EHADRM CCCOc1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1F ZINC000910253539 1038789954 /nfs/dbraw/zinc/78/99/54/1038789954.db2.gz DHXHBOSNVQDLLO-UHFFFAOYSA-N -1 0 335.375 3.588 20 0 EHADRM CCCCC[C@H](NC(=O)c1sc(-c2ccccc2)nc1C)C(=O)[O-] ZINC000236685266 1038804260 /nfs/dbraw/zinc/80/42/60/1038804260.db2.gz LVUVGHKYJSGJQC-AWEZNQCLSA-N -1 0 346.452 3.882 20 0 EHADRM Cc1nc(N2CCC([C@@H](F)c3ccccc3F)CC2)ncc1C(=O)[O-] ZINC000910309304 1038821984 /nfs/dbraw/zinc/82/19/84/1038821984.db2.gz RYDUFPKDLGOOQJ-MRXNPFEDSA-N -1 0 347.365 3.550 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCC[C@H](Nc2ccccc2)C1 ZINC000164115737 1038867554 /nfs/dbraw/zinc/86/75/54/1038867554.db2.gz SPPRTUPMDRNUDI-AWEZNQCLSA-N -1 0 348.805 3.901 20 0 EHADRM Cc1nc(N2CCCCC[C@H]2C[C@H](O)c2ccco2)ccc1C(=O)[O-] ZINC000910374701 1038868873 /nfs/dbraw/zinc/86/88/73/1038868873.db2.gz KPAMURKXKHDDKE-HOCLYGCPSA-N -1 0 344.411 3.554 20 0 EHADRM Cc1ccc(NC(=O)CCSCC(=O)[O-])cc1-c1ccsc1 ZINC000910394069 1038897838 /nfs/dbraw/zinc/89/78/38/1038897838.db2.gz JWJMNPLLOUNQHK-UHFFFAOYSA-N -1 0 335.450 3.870 20 0 EHADRM Cc1ccc(SCCC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000325247991 1038910956 /nfs/dbraw/zinc/91/09/56/1038910956.db2.gz GFHYWROJWFXGRY-HNNXBMFYSA-N -1 0 349.496 3.827 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)C[C@H]2CCc3ccccc32)c2ccccc21 ZINC000910475095 1038928709 /nfs/dbraw/zinc/92/87/09/1038928709.db2.gz CRNFRWADMYJIOW-ZMYBRWDISA-N -1 0 335.403 3.536 20 0 EHADRM CC[C@@]1(C)CCCN(C(=O)N=c2[n-]nc(-c3ccccc3)s2)C1 ZINC000479953508 1038941267 /nfs/dbraw/zinc/94/12/67/1038941267.db2.gz HAQISPJHZFBPEO-KRWDZBQOSA-N -1 0 330.457 3.671 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)CC(C)(C)C(F)(F)F ZINC000910503422 1038953225 /nfs/dbraw/zinc/95/32/25/1038953225.db2.gz BGMRJONPQQXXLH-UHFFFAOYSA-N -1 0 325.371 3.560 20 0 EHADRM C[C@H](Cc1nc2ccccc2s1)N=c1[n-]nc(C(F)(F)F)s1 ZINC000570049314 1038962562 /nfs/dbraw/zinc/96/25/62/1038962562.db2.gz KVCAJXWQPNNWSZ-SSDOTTSWSA-N -1 0 344.387 3.632 20 0 EHADRM Cc1cnc([C@H](C)Sc2n[n-]c(=Nc3ccccc3)s2)cn1 ZINC000488233248 1038982015 /nfs/dbraw/zinc/98/20/15/1038982015.db2.gz PCQFRISQELVBAF-NSHDSACASA-N -1 0 329.454 3.655 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1cnc(C(C)C)s1 ZINC000910621181 1038991335 /nfs/dbraw/zinc/99/13/35/1038991335.db2.gz RWGOVBDRXWPNSG-UHFFFAOYSA-N -1 0 334.397 3.616 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1cc(F)ccc1OC(F)F ZINC000488238961 1038994471 /nfs/dbraw/zinc/99/44/71/1038994471.db2.gz WLQYABGCBZNRBV-UHFFFAOYSA-N -1 0 345.342 3.790 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CC2(CCC2)[C@@H]1c1cccnc1 ZINC000898408802 1038998008 /nfs/dbraw/zinc/99/80/08/1038998008.db2.gz BXAKUMZIPLDUGM-INIZCTEOSA-N -1 0 346.789 3.947 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1cccc2ccc(C)nc21 ZINC000488244196 1039001458 /nfs/dbraw/zinc/00/14/58/1039001458.db2.gz BIYGBAQYAVXXPB-UHFFFAOYSA-N -1 0 326.421 3.906 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)Nc1nc(C2CCC2)cs1 ZINC000910655975 1039005761 /nfs/dbraw/zinc/00/57/61/1039005761.db2.gz LVEORROROGXUBX-UHFFFAOYSA-N -1 0 330.409 3.680 20 0 EHADRM Cc1ccc(-n2ncc(NC(=O)[C@H](C(=O)[O-])C(C)C)c2C(C)C)cc1 ZINC000910658418 1039007826 /nfs/dbraw/zinc/00/78/26/1039007826.db2.gz JUBYUSYMIUKAEU-MRXNPFEDSA-N -1 0 343.427 3.599 20 0 EHADRM CCc1c(NC(=O)C[C@H](C)CC(=O)[O-])cnn1-c1cccc(Cl)c1 ZINC000910658445 1039008313 /nfs/dbraw/zinc/00/83/13/1039008313.db2.gz KNTMIZSRHFQQRI-NSHDSACASA-N -1 0 349.818 3.528 20 0 EHADRM CCCc1sc(C(=O)Nc2ncc(CC(=O)[O-])s2)cc1CC ZINC000910673215 1039012417 /nfs/dbraw/zinc/01/24/17/1039012417.db2.gz MLORDXPNFAWULA-UHFFFAOYSA-N -1 0 338.454 3.599 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)Nc2ncc(CC(=O)[O-])s2)cc1 ZINC000910670763 1039012531 /nfs/dbraw/zinc/01/25/31/1039012531.db2.gz RYGITBSTGACUFK-UHFFFAOYSA-N -1 0 348.424 3.590 20 0 EHADRM CC(C)c1sc(NC(=O)CCCc2cccs2)nc1C(=O)[O-] ZINC000910696175 1039024238 /nfs/dbraw/zinc/02/42/38/1039024238.db2.gz DBXGWUQPPXQPHH-UHFFFAOYSA-N -1 0 338.454 3.988 20 0 EHADRM CCc1nc(C)c(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)s1 ZINC000910700252 1039024278 /nfs/dbraw/zinc/02/42/78/1039024278.db2.gz VCBAAUJXLPMDHO-UHFFFAOYSA-N -1 0 339.442 3.544 20 0 EHADRM CC(C)c1sc(NC(=O)[C@H](C)Cc2ccccc2)nc1C(=O)[O-] ZINC000910700261 1039024300 /nfs/dbraw/zinc/02/43/00/1039024300.db2.gz VMJIIOBROAIGRL-LLVKDONJSA-N -1 0 332.425 3.782 20 0 EHADRM CCO[C@@H](C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1)c1ccccc1 ZINC000910699860 1039026411 /nfs/dbraw/zinc/02/64/11/1039026411.db2.gz SICWAMHQBHAAMR-CYBMUJFWSA-N -1 0 348.424 3.681 20 0 EHADRM CC(C)c1sc(NC(=O)CC(C)(C)CC(F)F)nc1C(=O)[O-] ZINC000910705914 1039028713 /nfs/dbraw/zinc/02/87/13/1039028713.db2.gz ORWBTBDDUNHCAS-UHFFFAOYSA-N -1 0 334.388 3.975 20 0 EHADRM CCOCCCCCC(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC000910706972 1039030529 /nfs/dbraw/zinc/03/05/29/1039030529.db2.gz VIKWXKAGJVCXPK-UHFFFAOYSA-N -1 0 328.434 3.500 20 0 EHADRM CSCc1ccc(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)cc1 ZINC000910730556 1039036331 /nfs/dbraw/zinc/03/63/31/1039036331.db2.gz CEBDDEJMMMVNCQ-UHFFFAOYSA-N -1 0 348.449 3.834 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)/C=C\C2CCCC2)nc1C(=O)[O-] ZINC000910717683 1039055396 /nfs/dbraw/zinc/05/53/96/1039055396.db2.gz FSEVOVVZMVUTIS-LJTDUEICSA-N -1 0 334.441 3.560 20 0 EHADRM CCCCOc1ccc(F)cc1Nc1ccc(S(=O)(=O)[O-])cc1 ZINC001211721770 1039092679 /nfs/dbraw/zinc/09/26/79/1039092679.db2.gz RVXBIVTVVPCHMW-UHFFFAOYSA-N -1 0 339.388 3.995 20 0 EHADRM C[C@H](C(=O)NCC(C)(C)CC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000910820742 1039094857 /nfs/dbraw/zinc/09/48/57/1039094857.db2.gz IPXTVVBQPCZBPY-VIFPVBQESA-N -1 0 332.227 3.714 20 0 EHADRM CC(C)(CNC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)CC(=O)[O-] ZINC000910823551 1039100256 /nfs/dbraw/zinc/10/02/56/1039100256.db2.gz UNBXYISJIALRAM-SJORKVTESA-N -1 0 325.408 3.560 20 0 EHADRM CCCCOc1cccc(CN=c2[n-]nc(C(F)(F)F)s2)c1 ZINC000480089162 1039136781 /nfs/dbraw/zinc/13/67/81/1039136781.db2.gz ZNIMMMZVIYAYOR-UHFFFAOYSA-N -1 0 331.363 3.770 20 0 EHADRM CC[C@H](C)C(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC000910954899 1039155353 /nfs/dbraw/zinc/15/53/53/1039155353.db2.gz AFIBNBFQWQNJPB-LBPRGKRZSA-N -1 0 328.412 3.618 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1sc(CC2CC2)nc1C ZINC000910959637 1039159681 /nfs/dbraw/zinc/15/96/81/1039159681.db2.gz TUMTZKISXAUMTA-UHFFFAOYSA-N -1 0 344.436 3.917 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)CCCc1ccc(O)c(F)c1 ZINC000910959821 1039160466 /nfs/dbraw/zinc/16/04/66/1039160466.db2.gz VEMZAZXEPFFLRF-UHFFFAOYSA-N -1 0 345.370 3.753 20 0 EHADRM CCN(C(=O)[C@H]1C[C@H]1c1ccccc1OC)c1cccc(C(=O)[O-])c1 ZINC000910972372 1039175028 /nfs/dbraw/zinc/17/50/28/1039175028.db2.gz WEUBQMKXQZPZHN-IRXDYDNUSA-N -1 0 339.391 3.550 20 0 EHADRM CC(C)c1cccc(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)CC2)c1 ZINC000911021457 1039189757 /nfs/dbraw/zinc/18/97/57/1039189757.db2.gz QGOAXUQXCGPFJL-UHFFFAOYSA-N -1 0 343.345 3.679 20 0 EHADRM CCCC[C@H](C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)CC1)C(C)C ZINC000911023944 1039190069 /nfs/dbraw/zinc/19/00/69/1039190069.db2.gz DRCKNZUROVPNEV-LBPRGKRZSA-N -1 0 337.382 3.705 20 0 EHADRM Cc1cc(C(=O)N2C[C@@H](c3ccccc3)CC2(C)C)oc1C(=O)[O-] ZINC000911063570 1039221144 /nfs/dbraw/zinc/22/11/44/1039221144.db2.gz ZMOUEZNCZCOODJ-AWEZNQCLSA-N -1 0 327.380 3.695 20 0 EHADRM Cc1cc(C)c(CN=c2[n-]nc(Cc3ccc(F)cc3)o2)c(C)c1 ZINC000554327633 1039223462 /nfs/dbraw/zinc/22/34/62/1039223462.db2.gz NABSKVHQPIMEGS-UHFFFAOYSA-N -1 0 325.387 3.759 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000554333016 1039228951 /nfs/dbraw/zinc/22/89/51/1039228951.db2.gz KLOSZYBPTRFQPN-COXVUDFISA-N -1 0 333.428 3.801 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000554333019 1039229422 /nfs/dbraw/zinc/22/94/22/1039229422.db2.gz KLOSZYBPTRFQPN-XOKHGSTOSA-N -1 0 333.428 3.801 20 0 EHADRM Cc1cc(NC(=O)/C=C\c2cc(C(=O)[O-])co2)ccc1N1CCCC1 ZINC000911214047 1039287862 /nfs/dbraw/zinc/28/78/62/1039287862.db2.gz QAYKAMWKOJJTQS-ALCCZGGFSA-N -1 0 340.379 3.538 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N(CCC(=O)[O-])Cc2cccnc2)s1 ZINC000911275494 1039308451 /nfs/dbraw/zinc/30/84/51/1039308451.db2.gz GZGFCEFORVYQDE-UHFFFAOYSA-N -1 0 346.452 3.558 20 0 EHADRM C/C=C(/CC)C(=O)N(Cc1ccoc1C(=O)[O-])[C@@H](C)c1ccccn1 ZINC000911332174 1039322875 /nfs/dbraw/zinc/32/28/75/1039322875.db2.gz XGRRMHUORUSTHC-PCGBIVOZSA-N -1 0 342.395 3.819 20 0 EHADRM CCCC[C@H](NC(=O)c1ccoc1CC(=O)[O-])c1ccc(OC)cc1 ZINC000911340330 1039335766 /nfs/dbraw/zinc/33/57/66/1039335766.db2.gz YGCXZQMNZCTSRH-INIZCTEOSA-N -1 0 345.395 3.577 20 0 EHADRM CC(C)[C@@H]1C[C@H](CC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)CCO1 ZINC000911387653 1039339824 /nfs/dbraw/zinc/33/98/24/1039339824.db2.gz RGMZVODKJIURFH-PXAZEXFGSA-N -1 0 344.411 3.646 20 0 EHADRM CC[C@@H](c1ccncc1)N(CC)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000911416118 1039346772 /nfs/dbraw/zinc/34/67/72/1039346772.db2.gz JKYPPJWDHQSTTR-INIZCTEOSA-N -1 0 332.444 3.806 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)C1 ZINC000237601172 1039364751 /nfs/dbraw/zinc/36/47/51/1039364751.db2.gz OMWOJCGYHZMUAI-GMXABZIVSA-N -1 0 341.810 3.937 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(-c2ccco2)cc1F ZINC000911441863 1039364892 /nfs/dbraw/zinc/36/48/92/1039364892.db2.gz SKFYPOYHTLKLIB-QWHCGFSZSA-N -1 0 331.343 3.915 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCc1ccc(Cl)s1)c1cccs1 ZINC000238210160 1039403190 /nfs/dbraw/zinc/40/31/90/1039403190.db2.gz FXZVKGOQPYNDLW-JTQLQIEISA-N -1 0 343.857 3.728 20 0 EHADRM C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000911592551 1039434999 /nfs/dbraw/zinc/43/49/99/1039434999.db2.gz TZZJDDIVZUPZCG-SMDDNHRTSA-N -1 0 343.345 3.507 20 0 EHADRM C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000911592549 1039436012 /nfs/dbraw/zinc/43/60/12/1039436012.db2.gz TZZJDDIVZUPZCG-FZMZJTMJSA-N -1 0 343.345 3.507 20 0 EHADRM COc1ccc(C(C)(C)C(=O)Nc2cc(C(=O)[O-])c(C)cc2F)cc1 ZINC000911680884 1039455339 /nfs/dbraw/zinc/45/53/39/1039455339.db2.gz GURVPAWHFVFTPT-UHFFFAOYSA-N -1 0 345.370 3.757 20 0 EHADRM Cc1nc(CC2CC2)sc1C(=O)Nc1cc(C(=O)[O-])c(C)cc1F ZINC000911687419 1039459911 /nfs/dbraw/zinc/45/99/11/1039459911.db2.gz VAJMVFPIKHWCFN-UHFFFAOYSA-N -1 0 348.399 3.802 20 0 EHADRM Cc1oc(C)c(C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)c1C ZINC000911739588 1039481953 /nfs/dbraw/zinc/48/19/53/1039481953.db2.gz VFPAGKALXRKTAM-UHFFFAOYSA-N -1 0 331.368 3.943 20 0 EHADRM O=C(NCc1ccccc1OCC1CC1)c1ccc([O-])c(Cl)c1 ZINC000156044367 1039490218 /nfs/dbraw/zinc/49/02/18/1039490218.db2.gz SCKHLAJJXBXYLX-UHFFFAOYSA-N -1 0 331.799 3.764 20 0 EHADRM CC(C)[C@@H](CC(=O)[N-]S(=O)(=O)C1CCCCC1)c1ccccc1 ZINC000728770558 1039518451 /nfs/dbraw/zinc/51/84/51/1039518451.db2.gz RSFGMLFRLREYAB-QGZVFWFLSA-N -1 0 337.485 3.595 20 0 EHADRM CC(C)N(C)c1ccccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000500822826 1039547848 /nfs/dbraw/zinc/54/78/48/1039547848.db2.gz RCPMZKDGGBGCKC-UHFFFAOYSA-N -1 0 338.860 3.985 20 0 EHADRM CC[C@@H](N=c1nc(C2CC2)[n-]s1)c1nc(-c2ccccc2)c[nH]1 ZINC000543976811 1039706936 /nfs/dbraw/zinc/70/69/36/1039706936.db2.gz PUYHZJGSLFQLCX-CYBMUJFWSA-N -1 0 325.441 3.791 20 0 EHADRM CSC1(C(=O)Nc2cc(Br)cc(Cl)c2[O-])CC1 ZINC000356441166 1039729078 /nfs/dbraw/zinc/72/90/78/1039729078.db2.gz XDIDCYYYPDUUFN-UHFFFAOYSA-N -1 0 336.638 3.642 20 0 EHADRM Cc1cccc(CO[N-]C(=O)C2(c3cccc(Cl)c3)CCC2)n1 ZINC000898934800 1039740941 /nfs/dbraw/zinc/74/09/41/1039740941.db2.gz RHESSHKTQUFYGG-UHFFFAOYSA-N -1 0 330.815 3.713 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nc(C3CC3)c(C)o2)sc1Cl ZINC000584761579 1039756567 /nfs/dbraw/zinc/75/65/67/1039756567.db2.gz OWLYFCVNYHPXDI-UHFFFAOYSA-N -1 0 332.834 3.685 20 0 EHADRM CCOc1c(Cl)cccc1CC(=O)Nc1cc(C(C)=O)ccc1[O-] ZINC000480619207 1039779378 /nfs/dbraw/zinc/77/93/78/1039779378.db2.gz XISYKUMMCZTQAX-UHFFFAOYSA-N -1 0 347.798 3.828 20 0 EHADRM O=C([O-])c1nc(/C=C/c2ccc(F)cc2)sc1Br ZINC000486031146 1039786307 /nfs/dbraw/zinc/78/63/07/1039786307.db2.gz RSFROPBHOIITOX-ZZXKWVIFSA-N -1 0 328.162 3.913 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)s1 ZINC000324657375 1039801050 /nfs/dbraw/zinc/80/10/50/1039801050.db2.gz HGQNWERSHUFEEK-DJJJIMSYSA-N -1 0 345.464 3.536 20 0 EHADRM O=C([O-])c1ccc2nc(/C=C\c3cnc4ccc(Cl)cn34)oc2c1 ZINC000486076954 1039843773 /nfs/dbraw/zinc/84/37/73/1039843773.db2.gz MDUGDYIGBIKYKS-UTCJRWHESA-N -1 0 339.738 3.998 20 0 EHADRM C[C@@H](CCc1ccc(O)cc1)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000156047159 1039896854 /nfs/dbraw/zinc/89/68/54/1039896854.db2.gz MDVRZVBUJXDESB-NSHDSACASA-N -1 0 342.420 3.573 20 0 EHADRM Cc1cccc(C)c1NC(=O)CCCOC(=O)c1ccc(O)cc1 ZINC000042138577 1039980160 /nfs/dbraw/zinc/98/01/60/1039980160.db2.gz BVVKPPJXGATNOM-UHFFFAOYSA-N -1 0 327.380 3.585 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2nn(-c3ccccc3)cc2[O-])C1 ZINC000553335189 1039981478 /nfs/dbraw/zinc/98/14/78/1039981478.db2.gz SMVJDFRDQCYAPT-CRAIPNDOSA-N -1 0 347.418 3.801 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2n[nH]c(C)c2-c2ccccc2)c1 ZINC000533947322 1040000507 /nfs/dbraw/zinc/00/05/07/1040000507.db2.gz TWSQATPVKLXYIR-UHFFFAOYSA-N -1 0 341.436 3.748 20 0 EHADRM C[C@@H](OC(C)(C)C)[C@H](NCc1cnc(-c2ccccc2)s1)C(=O)[O-] ZINC000417579630 1040027158 /nfs/dbraw/zinc/02/71/58/1040027158.db2.gz BBUYVIBBSDVEPZ-DOMZBBRYSA-N -1 0 348.468 3.557 20 0 EHADRM C[C@@H](CNC(=O)C1(C(=O)[O-])CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000569366574 1040035256 /nfs/dbraw/zinc/03/52/56/1040035256.db2.gz BDWKHDULTQGAMX-NSHDSACASA-N -1 0 343.345 3.570 20 0 EHADRM Cc1cnc(CN[C@]2(C(=O)[O-])CCC(C)(C)c3ccccc32)s1 ZINC000417575969 1040035558 /nfs/dbraw/zinc/03/55/58/1040035558.db2.gz GWUAYBCHIXMUFR-GOSISDBHSA-N -1 0 330.453 3.593 20 0 EHADRM Cc1ncsc1CN[C@@]1(C(=O)[O-])C[C@H](C(C)C)c2ccccc21 ZINC000417575574 1040038944 /nfs/dbraw/zinc/03/89/44/1040038944.db2.gz GGAJVVPISBQXCE-KDOFPFPSSA-N -1 0 330.453 3.665 20 0 EHADRM C[C@@H](N=c1[n-]nc(Cc2ccccc2)s1)c1ccc2n[nH]cc2c1 ZINC000553385739 1040039785 /nfs/dbraw/zinc/03/97/85/1040039785.db2.gz WWHMDNIYCXWFFU-GFCCVEGCSA-N -1 0 335.436 3.600 20 0 EHADRM CCc1ccc(-c2ccc(CN[C@@H](COC(C)(C)C)C(=O)[O-])o2)cc1 ZINC000417603305 1040054518 /nfs/dbraw/zinc/05/45/18/1040054518.db2.gz XXIKTVFOTXMBTF-KRWDZBQOSA-N -1 0 345.439 3.867 20 0 EHADRM CC(C)n1ccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)n1 ZINC000479238009 1040056697 /nfs/dbraw/zinc/05/66/97/1040056697.db2.gz DJTHNDKSKWBZDR-UHFFFAOYSA-N -1 0 341.436 3.932 20 0 EHADRM CCCn1nc(C)c(CNc2ccc(C[C@H](C)C(=O)[O-])cc2)c1C ZINC000417606709 1040058027 /nfs/dbraw/zinc/05/80/27/1040058027.db2.gz FBRXSHPAOKLWRY-ZDUSSCGKSA-N -1 0 329.444 3.785 20 0 EHADRM O=C([O-])C[C@@H](C[NH2+]Cc1csc(Cl)c1Cl)C(F)(F)F ZINC000417618190 1040069773 /nfs/dbraw/zinc/06/97/73/1040069773.db2.gz CWJQHVHYZOTQON-LURJTMIESA-N -1 0 336.162 3.798 20 0 EHADRM CCC[C@@H](N=c1[n-]nc(-c2ccon2)s1)c1ccc(F)cc1F ZINC000553443890 1040070143 /nfs/dbraw/zinc/07/01/43/1040070143.db2.gz NRIVSRMYCLRSLB-GFCCVEGCSA-N -1 0 336.367 3.847 20 0 EHADRM CCCOc1ccc(C(=O)[O-])cc1NCc1cccc(OC)c1OC ZINC000417612935 1040080981 /nfs/dbraw/zinc/08/09/81/1040080981.db2.gz RWWHPZOJVDHQTM-UHFFFAOYSA-N -1 0 345.395 3.803 20 0 EHADRM COc1cc(C)c(CNc2ccc(S[C@H](C)C(=O)[O-])cc2)c(C)n1 ZINC000417646479 1040109895 /nfs/dbraw/zinc/10/98/95/1040109895.db2.gz FQDJOAXTBOVBKC-CYBMUJFWSA-N -1 0 346.452 3.884 20 0 EHADRM Cc1nc([C@H](C)NC(=O)[C@@]2(C)CCC(C)=C(C)C2)sc1C(=O)[O-] ZINC000907629776 1040110788 /nfs/dbraw/zinc/11/07/88/1040110788.db2.gz TWVXBHQYAKGPNY-SJCJKPOMSA-N -1 0 336.457 3.854 20 0 EHADRM CC1(C)C[C@H](N=c2nc(C(F)(F)F)[n-]s2)c2ccc(F)cc2O1 ZINC000553482582 1040115979 /nfs/dbraw/zinc/11/59/79/1040115979.db2.gz GZRMXIVNXQCTQA-VIFPVBQESA-N -1 0 347.337 3.832 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2cc3c(cccc3C)o2)n1 ZINC000907704446 1040135455 /nfs/dbraw/zinc/13/54/55/1040135455.db2.gz OJUFOVFQJVFKHN-ZDUSSCGKSA-N -1 0 341.367 3.616 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1cc(-n2cccc2)ccc1Cl ZINC000907710080 1040138358 /nfs/dbraw/zinc/13/83/58/1040138358.db2.gz IUWBXIODPWHKDE-MAUKXSAKSA-N -1 0 346.814 3.504 20 0 EHADRM CCC(C)(C)c1ccccc1C(=O)NCCc1ncc(C(=O)[O-])s1 ZINC000907787052 1040172525 /nfs/dbraw/zinc/17/25/25/1040172525.db2.gz SHUKNROMRYNBKS-UHFFFAOYSA-N -1 0 346.452 3.501 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cc(-c3cccc(F)c3)on2)c1 ZINC000584879666 1040195634 /nfs/dbraw/zinc/19/56/34/1040195634.db2.gz SQZYAGHUCRLFMY-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)c3cc4c(ccc5ccccc45)o3)[C@@H]2C1 ZINC000907951659 1040243718 /nfs/dbraw/zinc/24/37/18/1040243718.db2.gz FRONWZKPFMBHHL-SMKXDYDZSA-N -1 0 349.386 3.815 20 0 EHADRM Cc1ccc([C@H]2CCCCCN2C(=O)c2ccc3oc(=O)nc-3[n-]2)o1 ZINC000669016134 1040244429 /nfs/dbraw/zinc/24/44/29/1040244429.db2.gz IKZXCIMHSGOJSF-CYBMUJFWSA-N -1 0 341.367 3.587 20 0 EHADRM CCCc1cnc([N-]S(=O)(=O)c2cc(Cl)ccc2OC)s1 ZINC000486562105 1040247851 /nfs/dbraw/zinc/24/78/51/1040247851.db2.gz FZBAFBRLCKCKLW-UHFFFAOYSA-N -1 0 346.861 3.558 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000908029709 1040268142 /nfs/dbraw/zinc/26/81/42/1040268142.db2.gz WBXLHRZRIXQLIM-HTAVTVPLSA-N -1 0 337.382 3.751 20 0 EHADRM CCCc1nc(C)c(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)s1 ZINC000236935754 1040268471 /nfs/dbraw/zinc/26/84/71/1040268471.db2.gz PYUWPBYZHYBIGO-AWEZNQCLSA-N -1 0 346.452 3.658 20 0 EHADRM CN(C(=O)[C@H]1CCC[C@H]1c1ccccc1)c1cccc(CC(=O)[O-])c1 ZINC000908083014 1040280470 /nfs/dbraw/zinc/28/04/70/1040280470.db2.gz MSRMQRZAMXMVHI-OALUTQOASA-N -1 0 337.419 3.860 20 0 EHADRM Cc1ccsc1CCCC(=O)N(C)c1cccc(CC(=O)[O-])c1 ZINC000908087978 1040282280 /nfs/dbraw/zinc/28/22/80/1040282280.db2.gz LOIDQIGWGAQLSV-UHFFFAOYSA-N -1 0 331.437 3.669 20 0 EHADRM CN(C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(CC(=O)[O-])c1 ZINC000908077639 1040286802 /nfs/dbraw/zinc/28/68/02/1040286802.db2.gz LPJXBXIEKBRKIC-STQMWFEESA-N -1 0 343.345 3.645 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CCC(=O)N(C)c2cccc(CC(=O)[O-])c2)o1 ZINC000908076496 1040287035 /nfs/dbraw/zinc/28/70/35/1040287035.db2.gz CWIDCUJLBDLYDK-SUMWQHHRSA-N -1 0 341.407 3.626 20 0 EHADRM Cc1cccc(CSCC(=O)N(C)c2cccc(CC(=O)[O-])c2)c1 ZINC000908074676 1040287170 /nfs/dbraw/zinc/28/71/70/1040287170.db2.gz YHJPJWLWSRRTGY-UHFFFAOYSA-N -1 0 343.448 3.518 20 0 EHADRM CN(C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)c1cccc(CC(=O)[O-])c1 ZINC000908076957 1040288439 /nfs/dbraw/zinc/28/84/39/1040288439.db2.gz ISGGDOKUERFVAP-IRXDYDNUSA-N -1 0 343.810 3.734 20 0 EHADRM COc1cc(C)c(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1C ZINC000899313790 1040315023 /nfs/dbraw/zinc/31/50/23/1040315023.db2.gz QARIRTJVQMYRTL-CQSZACIVSA-N -1 0 334.416 3.563 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)c2cc3c(nc(C)cc3C)s2)s1 ZINC000613256978 1040337912 /nfs/dbraw/zinc/33/79/12/1040337912.db2.gz QRFUBFZWOPXGAI-UHFFFAOYSA-N -1 0 346.481 3.781 20 0 EHADRM O=C([O-])C/C(=C\c1cnn(CC2CCC2)c1)c1nc2ccccc2o1 ZINC000899343056 1040343276 /nfs/dbraw/zinc/34/32/76/1040343276.db2.gz NAZBESFBPASPMT-OVCLIPMQSA-N -1 0 337.379 3.840 20 0 EHADRM O=c1c(C(F)(F)F)c(C2CC2)[n-]n1-c1ccc(Br)cc1 ZINC000899347474 1040353961 /nfs/dbraw/zinc/35/39/61/1040353961.db2.gz VWTTWFVHBFBNPZ-SNVBAGLBSA-N -1 0 347.134 3.740 20 0 EHADRM CCCc1cc(=O)[nH]c(C(=Cc2cc(C(=O)[O-])ccc2OC)CC)n1 ZINC000899372782 1040408870 /nfs/dbraw/zinc/40/88/70/1040408870.db2.gz PGFAAWJMUYLFBU-XFXZXTDPSA-N -1 0 342.395 3.792 20 0 EHADRM CC(C)[C@@H](C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1)c1cccc(Cl)c1 ZINC000908376390 1040419695 /nfs/dbraw/zinc/41/96/95/1040419695.db2.gz XOLRJBQWZWVJFS-XGWLTEMNSA-N -1 0 337.847 3.839 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)c2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000908375258 1040421022 /nfs/dbraw/zinc/42/10/22/1040421022.db2.gz JZYCFRQFLHXZAP-DYVFJYSZSA-N -1 0 335.403 3.631 20 0 EHADRM O=S(=O)([N-]C/C=C/c1ccccc1)c1c(Cl)ccc(F)c1F ZINC000553830418 1040509698 /nfs/dbraw/zinc/50/96/98/1040509698.db2.gz QHZSXSLIBQGRBG-QPJJXVBHSA-N -1 0 343.782 3.610 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000569590101 1040515054 /nfs/dbraw/zinc/51/50/54/1040515054.db2.gz HDDXDMQPDAVYQE-GFCCVEGCSA-N -1 0 339.382 3.737 20 0 EHADRM CCOC(=O)c1nc(Cl)sc1Nc1ccc(C(=O)[O-])c(C)c1 ZINC001211654987 1040520778 /nfs/dbraw/zinc/52/07/78/1040520778.db2.gz IORSIELCAVXVFY-UHFFFAOYSA-N -1 0 340.788 3.723 20 0 EHADRM CCC[C@]1(C(=O)[O-])CCCN1C(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000908620073 1040548113 /nfs/dbraw/zinc/54/81/13/1040548113.db2.gz DCJQIHRZFVXTIB-FZKQIMNGSA-N -1 0 334.416 3.645 20 0 EHADRM CCC[C@@]1(C(=O)[O-])CCCN1C(=O)Nc1cccc(OC(F)F)c1 ZINC000908622805 1040551215 /nfs/dbraw/zinc/55/12/15/1040551215.db2.gz ZCVFJWIOTOMMAH-INIZCTEOSA-N -1 0 342.342 3.539 20 0 EHADRM Cc1ccnc(NC(=O)N(C)C2(C(=O)[O-])CCCCC2)c1C1CC1 ZINC000908684504 1040571657 /nfs/dbraw/zinc/57/16/57/1040571657.db2.gz SLMCEOFANRCORG-UHFFFAOYSA-N -1 0 331.416 3.519 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C[C@H](c2ccc(O)cc2)C2CC2)cc1 ZINC000908674036 1040584133 /nfs/dbraw/zinc/58/41/33/1040584133.db2.gz WNWHFQPLORHLSV-KRWDZBQOSA-N -1 0 325.364 3.613 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@@H]3CC[C@H]4CCCC[C@@H]4C3)(CC1)CC2 ZINC000908707168 1040601421 /nfs/dbraw/zinc/60/14/21/1040601421.db2.gz PXRLDWQJDUYJBF-RIWOBZSASA-N -1 0 333.472 3.887 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000908735883 1040617091 /nfs/dbraw/zinc/61/70/91/1040617091.db2.gz XDNNXXFYHCIXCQ-UHFFFAOYSA-N -1 0 337.759 3.979 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N(C)Cc1cccc(C(F)(F)F)c1 ZINC000908767262 1040642035 /nfs/dbraw/zinc/64/20/35/1040642035.db2.gz BAVOJRPNXSYNRE-UHFFFAOYSA-N -1 0 341.285 3.577 20 0 EHADRM CCc1ccc([C@@H]2CCCCCN2C(=O)c2ccoc2CC(=O)[O-])o1 ZINC000908817516 1040663825 /nfs/dbraw/zinc/66/38/25/1040663825.db2.gz RNXAGJDEQLMQQY-HNNXBMFYSA-N -1 0 345.395 3.820 20 0 EHADRM Cc1ccc([C@@H](C)CNC(=O)c2ccccc2CCC(=O)[O-])cc1 ZINC000908811641 1040663882 /nfs/dbraw/zinc/66/38/82/1040663882.db2.gz JDKFPWANOIEKAP-HNNXBMFYSA-N -1 0 325.408 3.546 20 0 EHADRM C[C@@H](C(=O)N(CCC(=O)[O-])CC1CC1)c1ccc(C(F)(F)F)cc1 ZINC000908877051 1040698795 /nfs/dbraw/zinc/69/87/95/1040698795.db2.gz APDJWEWTJGMICA-LLVKDONJSA-N -1 0 343.345 3.522 20 0 EHADRM CSc1cc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)c(C)o1 ZINC000908945169 1040718972 /nfs/dbraw/zinc/71/89/72/1040718972.db2.gz UTNHOKYSZLIPEU-CQSZACIVSA-N -1 0 333.409 3.646 20 0 EHADRM CCc1cc(C)c(C(=O)N=c2[n-]nc(-c3ccc(C)cc3C)s2)o1 ZINC000487203429 1040773812 /nfs/dbraw/zinc/77/38/12/1040773812.db2.gz VKKIJPMKTWRJPH-UHFFFAOYSA-N -1 0 341.436 3.960 20 0 EHADRM CC(C)(C)OC1CC(CC(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)C1 ZINC000909097599 1040800691 /nfs/dbraw/zinc/80/06/91/1040800691.db2.gz SNKNZCOTTIFNBY-RMKNXTFCSA-N -1 0 331.412 3.707 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2SC)c1 ZINC000487248141 1040832496 /nfs/dbraw/zinc/83/24/96/1040832496.db2.gz CCSVGZIUBDDGOI-UHFFFAOYSA-N -1 0 343.857 3.871 20 0 EHADRM CCC[C@H](C(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1)c1ccccc1 ZINC000236995142 1040868908 /nfs/dbraw/zinc/86/89/08/1040868908.db2.gz QRSUPOWERMHMTQ-OCCSQVGLSA-N -1 0 346.452 3.911 20 0 EHADRM CCc1c(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)cnn1C1CCCC1 ZINC000909295779 1040913726 /nfs/dbraw/zinc/91/37/26/1040913726.db2.gz YIIZPJFTMODOHI-UHFFFAOYSA-N -1 0 341.411 3.820 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)Nc1cccc(C(F)(F)F)c1)C1CCC1 ZINC000570890325 1040968611 /nfs/dbraw/zinc/96/86/11/1040968611.db2.gz GRUHVKMTCBEAFV-VIFPVBQESA-N -1 0 330.306 3.565 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)NCc1ccc(Cl)cc1Cl)C1CC1 ZINC000570904513 1040974002 /nfs/dbraw/zinc/97/40/02/1040974002.db2.gz GZVUXIHGFHIIQU-CYBMUJFWSA-N -1 0 345.226 3.531 20 0 EHADRM CC1(c2ccccc2)CC(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)C1 ZINC000909730489 1040975768 /nfs/dbraw/zinc/97/57/68/1040975768.db2.gz OKOKGYBXAZYDPN-UHFFFAOYSA-N -1 0 341.451 3.648 20 0 EHADRM CC(C)(C)OC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000582122623 1041038251 /nfs/dbraw/zinc/03/82/51/1041038251.db2.gz UGHWNBJDHMFGKK-UHFFFAOYSA-N -1 0 339.438 3.504 20 0 EHADRM Cc1cc(-n2c3cc(N)ccc3nc2C(F)(F)F)ccc1C(=O)[O-] ZINC001211657179 1041061303 /nfs/dbraw/zinc/06/13/03/1041061303.db2.gz DVNFDMFSHUKVIZ-UHFFFAOYSA-N -1 0 335.285 3.633 20 0 EHADRM C[C@@]1(C(=O)[O-])[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000899760101 1041086336 /nfs/dbraw/zinc/08/63/36/1041086336.db2.gz WSEUSUYJJRBYHP-ZKDNPSPCSA-N -1 0 340.206 3.845 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)N[C@H](C)c1ccc(OC(F)F)cc1 ZINC000899763122 1041089941 /nfs/dbraw/zinc/08/99/41/1041089941.db2.gz ZXNFVTGAQOEEPX-YPMHNXCESA-N -1 0 343.370 3.602 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)C[C@@H](C(=O)[O-])c2ccc(C)cc2)c1 ZINC000899765297 1041093914 /nfs/dbraw/zinc/09/39/14/1041093914.db2.gz CVAWKWHMFKLXMN-KBXCAEBGSA-N -1 0 341.407 3.899 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])C[C@H]1C(=O)Nc1ccccc1CCC(F)(F)F ZINC000899773741 1041110302 /nfs/dbraw/zinc/11/03/02/1041110302.db2.gz NHQJARGJAJPCOD-LRDDRELGSA-N -1 0 343.345 3.867 20 0 EHADRM Cc1c(NC(=O)[C@H](CC(=O)[O-])CC(C)C)cccc1-c1ncco1 ZINC000899785171 1041121965 /nfs/dbraw/zinc/12/19/65/1041121965.db2.gz DXCXLXZTRAVJLC-ZDUSSCGKSA-N -1 0 330.384 3.726 20 0 EHADRM COc1cc(-c2ccc(CC(=O)[O-])c(C)c2)cnc1C(F)(F)F ZINC000570941878 1041123610 /nfs/dbraw/zinc/12/36/10/1041123610.db2.gz DAKSAUOKYJCJGJ-UHFFFAOYSA-N -1 0 325.286 3.712 20 0 EHADRM Cc1ccc([C@H](CC(=O)N2CC[C@H](c3ccccc3)C2)C(=O)[O-])cc1 ZINC000899798419 1041133464 /nfs/dbraw/zinc/13/34/64/1041133464.db2.gz JWGWAPIPKIBEJC-OALUTQOASA-N -1 0 337.419 3.569 20 0 EHADRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@@H]1CCC[C@]1(C)C(=O)[O-] ZINC000909994564 1041133698 /nfs/dbraw/zinc/13/36/98/1041133698.db2.gz XKDLBPXTVCOIKC-DYVFJYSZSA-N -1 0 334.803 3.503 20 0 EHADRM CN(C(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-])c1ccc2ccccc2c1 ZINC000899796913 1041148379 /nfs/dbraw/zinc/14/83/79/1041148379.db2.gz SXCSMGFCXMPBBY-JQZBISMTSA-N -1 0 335.403 3.716 20 0 EHADRM Cc1ccc([C@@H](CC(=O)NCC(C)(C)c2cccs2)C(=O)[O-])cc1 ZINC000899809744 1041156715 /nfs/dbraw/zinc/15/67/15/1041156715.db2.gz RWJBWRVHQCPULC-OAHLLOKOSA-N -1 0 345.464 3.709 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)C[C@H](C(=O)[O-])c2ccc(C)cc2)s1 ZINC000899810979 1041156996 /nfs/dbraw/zinc/15/69/96/1041156996.db2.gz YVLHNOATKAWDEB-DYVFJYSZSA-N -1 0 345.464 3.671 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1scnc1C1CCCC1)C2 ZINC000910047841 1041162684 /nfs/dbraw/zinc/16/26/84/1041162684.db2.gz QTWJRFHNEALUPR-UHFFFAOYSA-N -1 0 342.420 3.655 20 0 EHADRM CCC[C@H](C)[C@H]1CCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000500345309 1041162698 /nfs/dbraw/zinc/16/26/98/1041162698.db2.gz WDLYQDPTGZKVBE-XJKSGUPXSA-N -1 0 345.418 3.758 20 0 EHADRM Cc1cc(F)ccc1[C@H](C)NC(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC000899834852 1041180938 /nfs/dbraw/zinc/18/09/38/1041180938.db2.gz BFLDCBPDPNPPCL-GUYCJALGSA-N -1 0 329.371 3.570 20 0 EHADRM CC(C)CCc1nc(CN(C)[C@@H](Cc2ccccc2)C(=O)[O-])cs1 ZINC000571096698 1041182971 /nfs/dbraw/zinc/18/29/71/1041182971.db2.gz HVYJPLSGZHGQSZ-KRWDZBQOSA-N -1 0 346.496 3.859 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])cs1 ZINC000910107508 1041192801 /nfs/dbraw/zinc/19/28/01/1041192801.db2.gz NHFJZAAWDRADLQ-ZDUSSCGKSA-N -1 0 348.424 3.843 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])cs1)c1ccccc1 ZINC000910111849 1041194033 /nfs/dbraw/zinc/19/40/33/1041194033.db2.gz HEZVYZXTQMXMSH-IUODEOHRSA-N -1 0 344.436 3.699 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CC(=O)N1CCC[C@H]1c1nc(C(=O)[O-])cs1 ZINC000910112922 1041195088 /nfs/dbraw/zinc/19/50/88/1041195088.db2.gz FUSKFDTWAOKOEW-BZPMIXESSA-N -1 0 336.457 3.721 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)N[C@H]1CCCc2cccnc21)C1CCCCC1 ZINC000899841625 1041204083 /nfs/dbraw/zinc/20/40/83/1041204083.db2.gz TXHVHEBYHWDSCE-OXJNMPFZSA-N -1 0 344.455 3.637 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc(OC3CCCC3)cc2)[C@H](C(=O)[O-])C1 ZINC000555852341 1041226767 /nfs/dbraw/zinc/22/67/67/1041226767.db2.gz DLFVVSGNVUODJI-DYVFJYSZSA-N -1 0 346.427 3.725 20 0 EHADRM C[C@H](C(=O)[O-])N(C)C(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000054051829 1041261461 /nfs/dbraw/zinc/26/14/61/1041261461.db2.gz KCBQWMKIQMOUNW-ZCFIWIBFSA-N -1 0 332.208 3.753 20 0 EHADRM CC(C)n1cc(-c2cc(F)ccc2OC[C@@H]2CCOC2)cc1C(=O)[O-] ZINC000571417621 1041292303 /nfs/dbraw/zinc/29/23/03/1041292303.db2.gz DCMCNAJDXXZNLO-CYBMUJFWSA-N -1 0 347.386 3.989 20 0 EHADRM CCC(CC)n1ccc(CSc2n[n-]c(=NCC(C)C)s2)n1 ZINC000433400321 1041391633 /nfs/dbraw/zinc/39/16/33/1041391633.db2.gz NARHGKHDEHDSMG-UHFFFAOYSA-N -1 0 339.534 3.878 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2cccc(-c3ccoc3)c2)cc1 ZINC000431991728 1041451985 /nfs/dbraw/zinc/45/19/85/1041451985.db2.gz LVOYNOZHOCTBDZ-UHFFFAOYSA-N -1 0 337.331 3.662 20 0 EHADRM C[C@H](N=c1[n-]nc(C2CC2)s1)c1cccc(OC(F)(F)F)c1 ZINC000432034240 1041475385 /nfs/dbraw/zinc/47/53/85/1041475385.db2.gz AAICONTYFQEOIA-QMMMGPOBSA-N -1 0 329.347 3.909 20 0 EHADRM C[C@@H]1CCC[C@@H](CC(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)C1 ZINC000432120652 1041619399 /nfs/dbraw/zinc/61/93/99/1041619399.db2.gz BBFJAZFYNRDGCP-KBAYOESNSA-N -1 0 331.456 3.795 20 0 EHADRM Cc1cc(CNC(=O)CCc2ccc(C(=O)[O-])cc2)ccc1Cl ZINC000432120636 1041619978 /nfs/dbraw/zinc/61/99/78/1041619978.db2.gz REGRBZZGDLNLQY-UHFFFAOYSA-N -1 0 331.799 3.596 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000432129258 1041628451 /nfs/dbraw/zinc/62/84/51/1041628451.db2.gz KGQAXGYCFUVANQ-CDHAZOANSA-N -1 0 337.847 3.668 20 0 EHADRM CCCOc1ccc(CCC(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])cc1 ZINC000432138082 1041639518 /nfs/dbraw/zinc/63/95/18/1041639518.db2.gz HYYGXMZAGYPZMJ-XLIONFOSSA-N -1 0 347.455 3.558 20 0 EHADRM Cc1ccc(SCCC(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])cc1 ZINC000432137969 1041640840 /nfs/dbraw/zinc/64/08/40/1041640840.db2.gz HNHGCLSZBOPPRA-QAPCUYQASA-N -1 0 335.469 3.627 20 0 EHADRM C[C@@H]1CN(C(=O)CCc2ccc(C(=O)[O-])cc2)CCc2ccccc21 ZINC000652122088 1041659013 /nfs/dbraw/zinc/65/90/13/1041659013.db2.gz IXOCBNGKABJRQC-OAHLLOKOSA-N -1 0 337.419 3.506 20 0 EHADRM CCOc1cccc(NC(=O)N=c2[n-]nc(-c3ccccc3)s2)c1 ZINC000549520196 1041661297 /nfs/dbraw/zinc/66/12/97/1041661297.db2.gz IPGQZIPBVRBFCL-UHFFFAOYSA-N -1 0 340.408 3.670 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc2c(c1)CCC2)c1ccc(Cl)cc1 ZINC000013174032 1041667113 /nfs/dbraw/zinc/66/71/13/1041667113.db2.gz JDCBCSPLMDHJIC-QGZVFWFLSA-N -1 0 343.810 3.775 20 0 EHADRM Cc1cc(-n2ccc3c2cc(N)cc3Br)ccc1C(=O)[O-] ZINC001211660965 1041709180 /nfs/dbraw/zinc/70/91/80/1041709180.db2.gz WJOCCMOQKPIGDU-UHFFFAOYSA-N -1 0 345.196 3.982 20 0 EHADRM CC(C)Sc1ccccc1NC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000647697374 1041760728 /nfs/dbraw/zinc/76/07/28/1041760728.db2.gz FJVPKRFPAPLQFQ-OLZOCXBDSA-N -1 0 336.457 3.762 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2cccc(-c3ccccc3)c2)C[C@H]1C(=O)[O-] ZINC000647702233 1041851089 /nfs/dbraw/zinc/85/10/89/1041851089.db2.gz JIFGYTDSZRRICY-KBXCAEBGSA-N -1 0 338.407 3.928 20 0 EHADRM CC(C)(C)[C@H]1CCC[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)CC1 ZINC000613775317 1042007970 /nfs/dbraw/zinc/00/79/70/1042007970.db2.gz WVHDFPNJAAUWST-RYUDHWBXSA-N -1 0 331.416 3.653 20 0 EHADRM CCCCCC[C@](C)(NC(=O)Cc1c[nH]c2ccc(F)cc12)C(=O)[O-] ZINC000236722377 1042083204 /nfs/dbraw/zinc/08/32/04/1042083204.db2.gz XBIYFJGFVTYNFB-IBGZPJMESA-N -1 0 348.418 3.779 20 0 EHADRM Cc1cc(N2CCC[C@H](CCC(=O)[O-])C2)c2ccc(F)c(F)c2n1 ZINC000662887142 1042191715 /nfs/dbraw/zinc/19/17/15/1042191715.db2.gz DLLCYNBXAAMIND-GFCCVEGCSA-N -1 0 334.366 3.903 20 0 EHADRM Cc1cccc2sc(C(=O)N3CC4CC3(C(=O)[O-])C4)c(Cl)c21 ZINC000659178319 1042212674 /nfs/dbraw/zinc/21/26/74/1042212674.db2.gz MEBMUEBHRNGAKY-UHFFFAOYSA-N -1 0 335.812 3.552 20 0 EHADRM CCOc1cc(NC(=O)CC2(C(=O)[O-])CCCCCC2)ccc1OC ZINC000048383531 1042332341 /nfs/dbraw/zinc/33/23/41/1042332341.db2.gz WMJKCDUVQOWFTK-UHFFFAOYSA-N -1 0 349.427 3.848 20 0 EHADRM Cc1ccccc1C1(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)CCC1 ZINC000653327957 1042370572 /nfs/dbraw/zinc/37/05/72/1042370572.db2.gz BTAUZJYFZIKLPJ-HKUYNNGSSA-N -1 0 349.430 3.846 20 0 EHADRM COc1ccc(NC(=O)C2(C(=O)[O-])CCCCCC2)cc1OC(C)C ZINC000663047998 1042392202 /nfs/dbraw/zinc/39/22/02/1042392202.db2.gz IWGSXASJBPWREC-UHFFFAOYSA-N -1 0 349.427 3.846 20 0 EHADRM COc1ccc(F)cc1[C@@H](C)NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184280059 1042403748 /nfs/dbraw/zinc/40/37/48/1042403748.db2.gz AMJNCUNVENROAT-MRVPVSSYSA-N -1 0 341.741 3.823 20 0 EHADRM O=C(Nc1cnn(Cc2ccccc2)c1)c1cc(F)c([O-])c(Cl)c1 ZINC000184292161 1042423400 /nfs/dbraw/zinc/42/34/00/1042423400.db2.gz RKZZYBCQZCHSQO-UHFFFAOYSA-N -1 0 345.761 3.682 20 0 EHADRM CCCN(Cc1ccc(C)cc1)C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000663086998 1042436660 /nfs/dbraw/zinc/43/66/60/1042436660.db2.gz UERJOVYXPZFXOK-UHFFFAOYSA-N -1 0 341.407 3.511 20 0 EHADRM Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1F ZINC000013256909 1042438198 /nfs/dbraw/zinc/43/81/98/1042438198.db2.gz QPMWCGFHDBNXAD-OAHLLOKOSA-N -1 0 335.762 3.733 20 0 EHADRM C[C@H](NC(=O)C1(C(=O)[O-])CCCCCC1)C1CCC(F)(F)CC1 ZINC000663120873 1042472505 /nfs/dbraw/zinc/47/25/05/1042472505.db2.gz ASPXJOCCQWXDFB-LBPRGKRZSA-N -1 0 331.403 3.742 20 0 EHADRM Cc1cc(F)ccc1NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC000432292843 1042480859 /nfs/dbraw/zinc/48/08/59/1042480859.db2.gz ZVPDCOQDDUCCKG-UHFFFAOYSA-N -1 0 343.333 3.725 20 0 EHADRM CC1(C)CCC[C@H](CC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)C1 ZINC000663133502 1042481367 /nfs/dbraw/zinc/48/13/67/1042481367.db2.gz COQUGRYGCGHWEP-RHSMWYFYSA-N -1 0 329.440 3.804 20 0 EHADRM CCCCc1nc(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)cs1 ZINC000652470677 1042491074 /nfs/dbraw/zinc/49/10/74/1042491074.db2.gz FVQPAGMBQJBTRY-MRXNPFEDSA-N -1 0 330.453 3.670 20 0 EHADRM CN(C(=O)c1cc(F)c([O-])c(Cl)c1)[C@H]1CCc2ccccc2C1 ZINC000184408320 1042526102 /nfs/dbraw/zinc/52/61/02/1042526102.db2.gz MMWSYNCNJKQPCI-AWEZNQCLSA-N -1 0 333.790 3.814 20 0 EHADRM COC[C@H](C)Oc1ccc(CNc2cc(C(=O)[O-])ccc2C)cc1 ZINC000663260172 1042605558 /nfs/dbraw/zinc/60/55/58/1042605558.db2.gz OREBYLGBEHSGIW-AWEZNQCLSA-N -1 0 329.396 3.719 20 0 EHADRM Cc1csc([C@H](C)CNC(=O)c2c([O-])cc(Cl)cc2Cl)n1 ZINC000184723606 1042612915 /nfs/dbraw/zinc/61/29/15/1042612915.db2.gz LZLUILYZYMVZLQ-SSDOTTSWSA-N -1 0 345.251 3.997 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-] ZINC000601984481 1042653797 /nfs/dbraw/zinc/65/37/97/1042653797.db2.gz ORAXDIBTKDODAT-BDAKNGLRSA-N -1 0 347.889 3.985 20 0 EHADRM CCC(CC)(CC)NC(=O)Cn1c(-c2cccs2)n[nH]c1=S ZINC000150817823 1042667470 /nfs/dbraw/zinc/66/74/70/1042667470.db2.gz AOKZHHVIANTDSU-UHFFFAOYSA-N -1 0 338.502 3.754 20 0 EHADRM CC(C)Oc1ccc([C@H](C)NC(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000186569609 1042671522 /nfs/dbraw/zinc/67/15/22/1042671522.db2.gz XVUNRYMZRHNAAW-NSHDSACASA-N -1 0 335.350 3.949 20 0 EHADRM Cn1cc(CCNC(=O)c2ccc([O-])c(Cl)c2)c2ccc(F)cc21 ZINC000186599047 1042673817 /nfs/dbraw/zinc/67/38/17/1042673817.db2.gz HHCSHXHDVCCEAV-UHFFFAOYSA-N -1 0 346.789 3.649 20 0 EHADRM Cc1ccc2cc(Cl)cc(C(=O)N3CCC[C@@H](CC(=O)[O-])C3)c2n1 ZINC000647728065 1042693515 /nfs/dbraw/zinc/69/35/15/1042693515.db2.gz VQDRYSACUYGHHC-LBPRGKRZSA-N -1 0 346.814 3.524 20 0 EHADRM CCOc1cc(Cl)ccc1CNC(=O)c1cc(F)c([O-])c(F)c1 ZINC000186923474 1042728020 /nfs/dbraw/zinc/72/80/20/1042728020.db2.gz ZFGJWTVCRCHYFK-UHFFFAOYSA-N -1 0 341.741 3.653 20 0 EHADRM CC1(C)C(=O)Nc2cc(C(=O)Nc3cccc(Cl)c3[O-])ccc21 ZINC000343923192 1042840724 /nfs/dbraw/zinc/84/07/24/1042840724.db2.gz YNMBAZJYUZRFEY-UHFFFAOYSA-N -1 0 330.771 3.528 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)cc1 ZINC000150854894 1042954197 /nfs/dbraw/zinc/95/41/97/1042954197.db2.gz UPPFPFMPUJGCKP-UHFFFAOYSA-N -1 0 329.830 3.568 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2nn(-c3ccccc3)cc2C)s1 ZINC000644851187 1042988360 /nfs/dbraw/zinc/98/83/60/1042988360.db2.gz SAXROVDGNPXDRD-UHFFFAOYSA-N -1 0 347.465 3.660 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1cnccc1-c1ccccc1 ZINC000432353892 1042991493 /nfs/dbraw/zinc/99/14/93/1042991493.db2.gz QMHVJTJQXDGSIG-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM COc1cc(Cl)cc(C(=O)N=c2nc(-c3ccccc3)[n-]s2)c1 ZINC000432415741 1043122453 /nfs/dbraw/zinc/12/24/53/1043122453.db2.gz XJYFFJMNLUKUSA-UHFFFAOYSA-N -1 0 345.811 3.541 20 0 EHADRM FC(F)(F)c1ccc(CN=c2[n-]nc(-c3cccs3)o2)s1 ZINC000432428371 1043186437 /nfs/dbraw/zinc/18/64/37/1043186437.db2.gz KJRINTWCTIQOGY-UHFFFAOYSA-N -1 0 331.344 3.912 20 0 EHADRM CC(C)(C)n1cnc(NC(=O)c2csc(-c3ccc(F)cc3)n2)n1 ZINC000344081998 1043229394 /nfs/dbraw/zinc/22/93/94/1043229394.db2.gz RVGNOASCQLMTQG-UHFFFAOYSA-N -1 0 345.403 3.548 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(OC3CCCCC3)cc2)C[C@H]1C(=O)[O-] ZINC000647752461 1043252947 /nfs/dbraw/zinc/25/29/47/1043252947.db2.gz MYDNICSVBDEWGJ-KBXCAEBGSA-N -1 0 345.439 3.581 20 0 EHADRM CC(C)C[C@@H](NC(=O)Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)[O-] ZINC000326535866 1043428138 /nfs/dbraw/zinc/42/81/38/1043428138.db2.gz XXMXNSAIUVNAEH-GOSISDBHSA-N -1 0 338.407 3.879 20 0 EHADRM Cc1nc(C(=O)Nc2cc(Br)cc(Cl)c2[O-])c(C)o1 ZINC000344322906 1043664169 /nfs/dbraw/zinc/66/41/69/1043664169.db2.gz MZMPFAVPZNIWHE-UHFFFAOYSA-N -1 0 345.580 3.665 20 0 EHADRM Cc1c([N-]c2nc(C3CCOCC3)ns2)cnn1-c1ccccc1 ZINC000663732806 1043850264 /nfs/dbraw/zinc/85/02/64/1043850264.db2.gz XWBWTWCOLYCSLJ-UHFFFAOYSA-N -1 0 341.440 3.670 20 0 EHADRM C[C@H](NC(=O)N(C)C(C)(C)C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000061173177 1043902100 /nfs/dbraw/zinc/90/21/00/1043902100.db2.gz BZHSGNTXIZYFBQ-QMMMGPOBSA-N -1 0 333.215 3.559 20 0 EHADRM CC1(C)CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])C[C@H]1O ZINC000279348110 1043983830 /nfs/dbraw/zinc/98/38/30/1043983830.db2.gz OOQDJNFXYNPRHU-MRXNPFEDSA-N -1 0 345.826 3.556 20 0 EHADRM CN(CCc1cccs1)C(=O)c1ccc(Br)c(O)c1 ZINC000122583556 1044222123 /nfs/dbraw/zinc/22/21/23/1044222123.db2.gz GLIRRBDLSHTRJH-UHFFFAOYSA-N -1 0 340.242 3.531 20 0 EHADRM CO[C@@H](CNC(=O)c1cc(F)c([O-])c(Cl)c1)C1CCCCC1 ZINC000620376086 1125561384 /nfs/dbraw/zinc/56/13/84/1125561384.db2.gz OWPAWMCKGQENKV-AWEZNQCLSA-N -1 0 329.799 3.510 20 0 EHADRM COc1cc(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)on1 ZINC000154668984 1125744076 /nfs/dbraw/zinc/74/40/76/1125744076.db2.gz BZZBXSMMUZKUAD-UHFFFAOYSA-N -1 0 349.799 3.636 20 0 EHADRM O=C([O-])[C@H](Cc1cc2ccccc2o1)NCc1ccc2ccccc2n1 ZINC001608541464 1126236924 /nfs/dbraw/zinc/23/69/24/1126236924.db2.gz VQPHJXVLUDKZBV-IBGZPJMESA-N -1 0 346.386 3.767 20 0 EHADRM C[C@@H]1CCN(C(=O)c2s[n-]c(=O)c2Cl)CC12CCCCC2 ZINC000622514335 1126713596 /nfs/dbraw/zinc/71/35/96/1126713596.db2.gz QRKZOLBISLLBBW-SNVBAGLBSA-N -1 0 328.865 3.935 20 0 EHADRM O=C(Nc1ccccc1SC(F)F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000184923410 1126713742 /nfs/dbraw/zinc/71/37/42/1126713742.db2.gz OJBWKAWBMHXKGN-UHFFFAOYSA-N -1 0 340.307 3.867 20 0 EHADRM Cc1ccc2c(c1)CN(C(=O)c1cc(F)c([O-])c(F)c1)C(C)(C)C2 ZINC000622620835 1126732223 /nfs/dbraw/zinc/73/22/23/1126732223.db2.gz FFFNZWZEOIZCAJ-UHFFFAOYSA-N -1 0 331.362 3.956 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cc1cccc2ccccc21 ZINC000336878773 1126814187 /nfs/dbraw/zinc/81/41/87/1126814187.db2.gz IOCZXTICOSAULA-QRQLOZEOSA-N -1 0 337.419 3.627 20 0 EHADRM CCCc1cc(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)sc1C ZINC000336877950 1126814262 /nfs/dbraw/zinc/81/42/62/1126814262.db2.gz ZUBZDGZRJBWQQF-MRXNPFEDSA-N -1 0 343.448 3.833 20 0 EHADRM CC(C)CC1(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)CCCC1 ZINC000176134715 1126904128 /nfs/dbraw/zinc/90/41/28/1126904128.db2.gz UEKIIXWUZQDREG-UHFFFAOYSA-N -1 0 329.400 3.575 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000073086706 1126999048 /nfs/dbraw/zinc/99/90/48/1126999048.db2.gz ZTOFRSHYVONCIY-CQSZACIVSA-N -1 0 345.848 3.723 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2OCC(F)(F)F)c(C)o1 ZINC000182775805 1127346993 /nfs/dbraw/zinc/34/69/93/1127346993.db2.gz JENUZNMELGGILU-UHFFFAOYSA-N -1 0 349.330 3.638 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)c(C)o1 ZINC000182773537 1127347093 /nfs/dbraw/zinc/34/70/93/1127347093.db2.gz JKWZADNPNOLUJS-UHFFFAOYSA-N -1 0 349.408 3.739 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3nc(C)c(C)o3)c2)c(C)o1 ZINC000182784260 1127347708 /nfs/dbraw/zinc/34/77/08/1127347708.db2.gz HWGBAXBGZBNXKE-UHFFFAOYSA-N -1 0 346.408 3.969 20 0 EHADRM CC(C)(C)C[C@@H]([N-]S(=O)(=O)Cc1ccc(F)cc1)C(F)(F)F ZINC000183300731 1127371559 /nfs/dbraw/zinc/37/15/59/1127371559.db2.gz JTJAOGNIKDDILZ-GFCCVEGCSA-N -1 0 341.370 3.612 20 0 EHADRM Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000183348630 1127373275 /nfs/dbraw/zinc/37/32/75/1127373275.db2.gz OHKTZWRFUOVSKD-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM CC1(C)C[C@H](NC(=O)c2cc(F)c(F)c([O-])c2F)c2ccccc21 ZINC000183345313 1127373427 /nfs/dbraw/zinc/37/34/27/1127373427.db2.gz CFLOEGZHZKSTHF-ZDUSSCGKSA-N -1 0 335.325 3.962 20 0 EHADRM Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000183346300 1127373532 /nfs/dbraw/zinc/37/35/32/1127373532.db2.gz WWRUZWVXNXZLIU-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)[N-]S(=O)(=O)[C@H](C)C(F)(F)F ZINC000184301740 1127400868 /nfs/dbraw/zinc/40/08/68/1127400868.db2.gz NCGQGMFVVCPHLI-VXGBXAGGSA-N -1 0 337.407 3.613 20 0 EHADRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)n1 ZINC000185713888 1127430709 /nfs/dbraw/zinc/43/07/09/1127430709.db2.gz YMBWBBBRPZTGMN-UHFFFAOYSA-N -1 0 339.420 3.561 20 0 EHADRM CCc1ccc(C(=O)CCC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000195192710 1127474942 /nfs/dbraw/zinc/47/49/42/1127474942.db2.gz XOIJIDYNZGUQNW-UHFFFAOYSA-N -1 0 325.364 3.549 20 0 EHADRM O=C(NCc1cccc2cccnc21)c1ccc2oc(=S)[n-]c2c1 ZINC001626033557 1127669307 /nfs/dbraw/zinc/66/93/07/1127669307.db2.gz MKYLXBOFEVHICH-UHFFFAOYSA-N -1 0 335.388 3.595 20 0 EHADRM COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccsc1 ZINC000671657529 1127763798 /nfs/dbraw/zinc/76/37/98/1127763798.db2.gz XNUCBIRUAYUBNV-UHFFFAOYSA-N -1 0 325.455 3.855 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(OCC)c(C)c1 ZINC000032588150 1127853455 /nfs/dbraw/zinc/85/34/55/1127853455.db2.gz AYQVALLLQFGEMI-UHFFFAOYSA-N -1 0 349.452 3.983 20 0 EHADRM C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)c3c[n-]ncc3=O)c2)C1 ZINC001626055248 1127908026 /nfs/dbraw/zinc/90/80/26/1127908026.db2.gz BNQBMESHZIUXJV-CZUORRHYSA-N -1 0 341.411 3.530 20 0 EHADRM Clc1ccc2c(c1)CC[C@H]2N=c1[n-]nc(C2CCOCC2)s1 ZINC000338655312 1127999402 /nfs/dbraw/zinc/99/94/02/1127999402.db2.gz JOKMEGYLZXELHA-CQSZACIVSA-N -1 0 335.860 3.607 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)CCc1cc2ccccc2o1 ZINC000347497994 1128013545 /nfs/dbraw/zinc/01/35/45/1128013545.db2.gz NHSZHVSZVCADHO-OAHLLOKOSA-N -1 0 329.396 3.611 20 0 EHADRM C[C@@H](CNC(=O)c1ccccc1Sc1ccccc1)CC(=O)[O-] ZINC000347523700 1128034967 /nfs/dbraw/zinc/03/49/67/1128034967.db2.gz RWWADOVOBVXNMJ-CYBMUJFWSA-N -1 0 329.421 3.678 20 0 EHADRM CCOc1cccc(S(=O)(=O)[N-]c2cnn(C3CCCC3)c2C)c1 ZINC000282221417 1128098858 /nfs/dbraw/zinc/09/88/58/1128098858.db2.gz RGYSHMGUBXPFCF-UHFFFAOYSA-N -1 0 349.456 3.506 20 0 EHADRM CC(C)OCc1cccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)c1 ZINC000064323166 1128164958 /nfs/dbraw/zinc/16/49/58/1128164958.db2.gz FYDPUGXFKAABON-UHFFFAOYSA-N -1 0 336.391 3.705 20 0 EHADRM CCc1c(C(=O)Nc2cc(C#N)ccc2[O-])cnn1-c1ccccc1C ZINC000186262890 1128364609 /nfs/dbraw/zinc/36/46/09/1128364609.db2.gz XIWVMLPCWQEGGR-UHFFFAOYSA-N -1 0 346.390 3.573 20 0 EHADRM CC(C)c1n[n-]c(=N[C@H](C)c2cc(F)c(Br)cc2F)o1 ZINC000624507376 1128380826 /nfs/dbraw/zinc/38/08/26/1128380826.db2.gz VZPURCMFRPINAY-SSDOTTSWSA-N -1 0 346.175 3.829 20 0 EHADRM O=C([O-])c1coc(C(=O)NCC2(c3ccc(F)cc3)CCCCC2)c1 ZINC000542765642 1128588871 /nfs/dbraw/zinc/58/88/71/1128588871.db2.gz OLBWZMHFMIGTID-UHFFFAOYSA-N -1 0 345.370 3.749 20 0 EHADRM CCOc1ccc([C@@H](C)N=c2nc(C(C)(C)C)o[n-]2)cc1OCC ZINC000542772127 1128597884 /nfs/dbraw/zinc/59/78/84/1128597884.db2.gz UHUWFSPWEDRFSV-GFCCVEGCSA-N -1 0 333.432 3.760 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000306520589 1128798427 /nfs/dbraw/zinc/79/84/27/1128798427.db2.gz KDCXDOSTNZAEMN-MRXNPFEDSA-N -1 0 325.408 3.716 20 0 EHADRM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000007055827 1128846444 /nfs/dbraw/zinc/84/64/44/1128846444.db2.gz FWKRHCHBOMKVFW-UHFFFAOYSA-N -1 0 335.425 3.593 20 0 EHADRM C[C@H]1CCC[C@@H]1CNC(=O)c1cc(Cl)cc(Br)c1[O-] ZINC001650963708 1120047719 /nfs/dbraw/zinc/04/77/19/1120047719.db2.gz UCMAIASZNPBVPS-DTWKUNHWSA-N -1 0 346.652 3.974 20 0 EHADRM O=C(NCC1(c2c(F)cccc2F)CCC1)c1ccc(F)cc1[O-] ZINC001648847958 1120053977 /nfs/dbraw/zinc/05/39/77/1120053977.db2.gz VWBPJTJIWNXRAJ-UHFFFAOYSA-N -1 0 335.325 3.661 20 0 EHADRM CC1(C)CC(NC(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC001648933717 1120238283 /nfs/dbraw/zinc/23/82/83/1120238283.db2.gz HIPBQLXJVHOHRL-UHFFFAOYSA-N -1 0 332.625 3.727 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000263007466 1120313170 /nfs/dbraw/zinc/31/31/70/1120313170.db2.gz PJIWQXCDJYUATH-BXKDBHETSA-N -1 0 335.400 3.532 20 0 EHADRM CC[C@H](NCc1cc(C(F)(F)F)ccc1F)c1nc(C(=O)[O-])c[nH]1 ZINC000904064532 1120351576 /nfs/dbraw/zinc/35/15/76/1120351576.db2.gz KJBJPVQVSYKLAX-NSHDSACASA-N -1 0 345.296 3.507 20 0 EHADRM CC[C@@H](NCc1ccc(Cl)c(Cl)c1)c1nc(C(=O)[O-])c[nH]1 ZINC000904065694 1120351628 /nfs/dbraw/zinc/35/16/28/1120351628.db2.gz UZAUEAAARBXFJY-LLVKDONJSA-N -1 0 328.199 3.656 20 0 EHADRM COc1c(C)ccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c1C ZINC000185190370 1120403311 /nfs/dbraw/zinc/40/33/11/1120403311.db2.gz KNBRRJLXBBMHIA-UHFFFAOYSA-N -1 0 348.399 3.733 20 0 EHADRM CCc1onc(C)c1[N-]C(=O)c1cc(COc2ccccc2F)on1 ZINC000185955165 1120437044 /nfs/dbraw/zinc/43/70/44/1120437044.db2.gz PRDJHIMAZBADGT-UHFFFAOYSA-N -1 0 345.330 3.504 20 0 EHADRM Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000153004568 1120528184 /nfs/dbraw/zinc/52/81/84/1120528184.db2.gz ZSAFGZJATGATOI-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cccc2c1N=S=N2 ZINC000153006271 1120529067 /nfs/dbraw/zinc/52/90/67/1120529067.db2.gz ZCXHXXDFBXHVOT-UHFFFAOYSA-N -1 0 340.817 3.571 20 0 EHADRM C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1)C1CC1 ZINC000176519881 1120549771 /nfs/dbraw/zinc/54/97/71/1120549771.db2.gz DGJMJFUPJWPEDP-ZDUSSCGKSA-N -1 0 335.469 3.585 20 0 EHADRM CC(C(=O)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1)=C1CCCC1 ZINC000765958701 1128935072 /nfs/dbraw/zinc/93/50/72/1128935072.db2.gz IGMURURIIGLZNQ-UHFFFAOYSA-N -1 0 341.498 3.741 20 0 EHADRM CCOc1cc(C(=O)N(C)Cc2cccc(F)c2)cc(Cl)c1O ZINC000192995762 1120755323 /nfs/dbraw/zinc/75/53/23/1120755323.db2.gz JPLKEMBXYXCGSY-UHFFFAOYSA-N -1 0 337.778 3.856 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccccc2OC(F)(F)F)ccc1F ZINC000761661959 1120759471 /nfs/dbraw/zinc/75/94/71/1120759471.db2.gz GAAJJFRDJCEBCE-UHFFFAOYSA-N -1 0 343.232 3.675 20 0 EHADRM CO[C@@H](C)CS(=O)(=O)[N-]c1ccccc1O[C@@H](C)c1ccccc1 ZINC000193328419 1120771064 /nfs/dbraw/zinc/77/10/64/1120771064.db2.gz RWPDOWQNLIWYSR-GJZGRUSLSA-N -1 0 349.452 3.603 20 0 EHADRM C/C(=C/c1ccccc1)CN(C)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000494765003 1120782270 /nfs/dbraw/zinc/78/22/70/1120782270.db2.gz LBEOIVUGJROINN-QBFSEMIESA-N -1 0 344.484 3.825 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)CCC2)c1ccccc1OC(F)F ZINC000195439488 1120784418 /nfs/dbraw/zinc/78/44/18/1120784418.db2.gz BVUZGKCKMZQWIY-UHFFFAOYSA-N -1 0 339.363 3.578 20 0 EHADRM CN(Cc1cccc(Br)c1)C(=O)c1c([O-])cccc1F ZINC000228839906 1120940732 /nfs/dbraw/zinc/94/07/32/1120940732.db2.gz KUCXGHWYRQEVJQ-UHFFFAOYSA-N -1 0 338.176 3.566 20 0 EHADRM COc1ccc(CCC(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)cc1F ZINC000914730781 1120966927 /nfs/dbraw/zinc/96/69/27/1120966927.db2.gz RTLKEVOKNHVRRT-IZZDOVSWSA-N -1 0 343.354 3.503 20 0 EHADRM O=C(Nc1ccc2oc(C3CC3)nc2c1)c1cc(=O)c2ccccc2[n-]1 ZINC000053475115 1121028550 /nfs/dbraw/zinc/02/85/50/1121028550.db2.gz GIWFYVUNQSDUAP-UHFFFAOYSA-N -1 0 345.358 3.799 20 0 EHADRM Cc1c(C(=O)Nc2cccc(Cl)c2[O-])cnn1-c1ccccc1 ZINC000077010642 1128974350 /nfs/dbraw/zinc/97/43/50/1128974350.db2.gz QRPYYRYGTTUDJD-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM CCn1c(COC(=O)c2ccc([O-])c(Cl)c2)nc2c1cccc2F ZINC000762830022 1121452875 /nfs/dbraw/zinc/45/28/75/1121452875.db2.gz MLKSGIXVBMHMII-UHFFFAOYSA-N -1 0 348.761 3.911 20 0 EHADRM CC(C)Oc1cccc(/C=C/C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC000236750504 1121462480 /nfs/dbraw/zinc/46/24/80/1121462480.db2.gz PPFIDPDRCHNQAF-VMSUTVGLSA-N -1 0 345.439 3.590 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)CCc1ccc(-c2ccccc2)o1 ZINC000236891788 1121466995 /nfs/dbraw/zinc/46/69/95/1121466995.db2.gz IFWRUFVZAXNFDY-AWEZNQCLSA-N -1 0 329.396 3.591 20 0 EHADRM CCc1ccc(CNC(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)s1 ZINC000237174832 1121476219 /nfs/dbraw/zinc/47/62/19/1121476219.db2.gz UWGGZWCICHVTKO-SFHVURJKSA-N -1 0 337.485 3.988 20 0 EHADRM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000237306019 1121479279 /nfs/dbraw/zinc/47/92/79/1121479279.db2.gz QSQSNOKGCSGIFL-GJZGRUSLSA-N -1 0 345.782 3.789 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cc(F)c(Cl)cc1Cl ZINC000237936486 1121499632 /nfs/dbraw/zinc/49/96/32/1121499632.db2.gz OABWIRNWBXYISL-VIFPVBQESA-N -1 0 348.201 3.992 20 0 EHADRM COc1ccc2nc([N-]S(=O)(=O)c3ccc(C)c(C)c3)sc2c1 ZINC000013948010 1121528363 /nfs/dbraw/zinc/52/83/63/1121528363.db2.gz WHONXPQVEQSZQB-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM Cc1cc(CN=c2[n-]nc(C(C)C)o2)cc(NC(=O)OC(C)(C)C)c1 ZINC000495916450 1121572224 /nfs/dbraw/zinc/57/22/24/1121572224.db2.gz WPVXQTXEUTYNRI-UHFFFAOYSA-N -1 0 346.431 3.882 20 0 EHADRM O=C(CCOCc1ccccc1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000762963703 1121615196 /nfs/dbraw/zinc/61/51/96/1121615196.db2.gz BLYOBJLZWVRDNK-UHFFFAOYSA-N -1 0 328.393 3.662 20 0 EHADRM COc1cc(Cl)c(C)cc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000322399346 1121646937 /nfs/dbraw/zinc/64/69/37/1121646937.db2.gz OOSUGKXBFJPJHJ-UHFFFAOYSA-N -1 0 333.771 3.536 20 0 EHADRM Cc1cc(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)ccc1Cl ZINC000322500073 1121654376 /nfs/dbraw/zinc/65/43/76/1121654376.db2.gz DHVJQEUJDAFYDN-UHFFFAOYSA-N -1 0 329.783 3.545 20 0 EHADRM Cc1cc(C)cc(C[C@H](C)NC(=O)NCc2ccc(O)c(F)c2)c1 ZINC000465981874 1129003344 /nfs/dbraw/zinc/00/33/44/1129003344.db2.gz PJTTVGYMJSZZEC-AWEZNQCLSA-N -1 0 330.403 3.579 20 0 EHADRM COc1cc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)ccc1Cl ZINC000325972272 1121710065 /nfs/dbraw/zinc/71/00/65/1121710065.db2.gz WHSIZSMHYNEVAO-SFHVURJKSA-N -1 0 347.798 3.720 20 0 EHADRM Cn1nccc1/C=C\c1nc2cc(C(=O)[O-])ccc2n1-c1ccccc1 ZINC000642358483 1121948813 /nfs/dbraw/zinc/94/88/13/1121948813.db2.gz OAJYZSTUIJIQKM-NTMALXAHSA-N -1 0 344.374 3.628 20 0 EHADRM CC(C)(C)c1ccc(O)c([N-]S(=O)(=O)c2ccc(Cl)nc2)c1 ZINC000916103658 1122055003 /nfs/dbraw/zinc/05/50/03/1122055003.db2.gz WXMHZNVHUFOSQY-UHFFFAOYSA-N -1 0 340.832 3.539 20 0 EHADRM O=C([N-]S(=O)(=O)/C=C\c1ccccc1)c1csc2ccccc12 ZINC000916184201 1122085360 /nfs/dbraw/zinc/08/53/60/1122085360.db2.gz SPIGSRYFRSHIPZ-KHPPLWFESA-N -1 0 343.429 3.632 20 0 EHADRM COc1ccc(O)c([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000125615400 1122321695 /nfs/dbraw/zinc/32/16/95/1122321695.db2.gz IIMQYGWQQFJOPL-UHFFFAOYSA-N -1 0 348.207 3.508 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)/C=C\c2ccsc2)c1C ZINC000916804890 1122351264 /nfs/dbraw/zinc/35/12/64/1122351264.db2.gz ZKQNRJOFWAALFA-WAYWQWQTSA-N -1 0 349.477 3.500 20 0 EHADRM CCC(=O)c1cccc(S(=O)(=O)Nc2c(C)cccc2CC)c1 ZINC000126122905 1122386724 /nfs/dbraw/zinc/38/67/24/1122386724.db2.gz DTLXWQSABPMUBF-UHFFFAOYSA-N -1 0 331.437 3.951 20 0 EHADRM Cc1cc(C)c2c(c1)N(Cc1nc(=O)c3sccc3[n-]1)CCC2 ZINC000066889833 1122489559 /nfs/dbraw/zinc/48/95/59/1122489559.db2.gz OKPKMZPKRKEXPN-UHFFFAOYSA-N -1 0 325.437 3.554 20 0 EHADRM O=C([O-])c1cnc(C=Cc2sc3ccccc3c2Cl)[nH]c1=O ZINC000670370073 1122580053 /nfs/dbraw/zinc/58/00/53/1122580053.db2.gz VEAQYGXAALRWDE-AATRIKPKSA-N -1 0 332.768 3.919 20 0 EHADRM O=C([O-])c1cccnc1N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000917369697 1122588058 /nfs/dbraw/zinc/58/80/58/1122588058.db2.gz OJENUCQEDDMYLX-LBPRGKRZSA-N -1 0 339.420 3.774 20 0 EHADRM CCn1c2ccccc2nc1[C@H](C)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000068467372 1122653459 /nfs/dbraw/zinc/65/34/59/1122653459.db2.gz HBLDEDZYDCAVMF-NSHDSACASA-N -1 0 343.814 3.906 20 0 EHADRM O=C([N-]S(=O)(=O)/C=C/c1ccccc1)c1cc2sccc2s1 ZINC000918479028 1122818502 /nfs/dbraw/zinc/81/85/02/1122818502.db2.gz OIZRQNNLODLZHA-VQHVLOKHSA-N -1 0 349.458 3.693 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1)C(=O)Nc1n[nH]c(-c2ccco2)n1 ZINC000129834564 1122849854 /nfs/dbraw/zinc/84/98/54/1122849854.db2.gz BCVGJSIWFIEBDH-SNVBAGLBSA-N -1 0 330.775 3.535 20 0 EHADRM CC(C)c1csc([N-]S(=O)(=O)c2cc(Cl)ccc2F)n1 ZINC000556305248 1122924083 /nfs/dbraw/zinc/92/40/83/1122924083.db2.gz VRSYCDRTINKHMW-UHFFFAOYSA-N -1 0 334.825 3.860 20 0 EHADRM Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)c1cccc(F)c1[O-] ZINC001128338490 1129112606 /nfs/dbraw/zinc/11/26/06/1129112606.db2.gz QPTGOZOYAMIBFJ-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM C[C@H](CCC(=O)N1CCc2cccc(C(=O)[O-])c2C1)c1ccccc1 ZINC000649258826 1123466722 /nfs/dbraw/zinc/46/67/22/1123466722.db2.gz DZUFKFSMRVNDCA-OAHLLOKOSA-N -1 0 337.419 3.853 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000236884135 1123480283 /nfs/dbraw/zinc/48/02/83/1123480283.db2.gz USRKHIZRDVEFSF-MRXNPFEDSA-N -1 0 327.380 3.798 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CCc1cccc(Cl)c1 ZINC000237025457 1123488755 /nfs/dbraw/zinc/48/87/55/1123488755.db2.gz KBVBFTLPSLVMMV-UHFFFAOYSA-N -1 0 331.799 3.629 20 0 EHADRM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1c([O-])cc(F)cc1F ZINC000066041671 1129125624 /nfs/dbraw/zinc/12/56/24/1129125624.db2.gz BCKFXQDDCYAZSJ-UHFFFAOYSA-N -1 0 345.267 3.961 20 0 EHADRM CCOc1cc2c(cc1NC(=O)c1c([O-])cc(F)cc1F)O[C@@H](C)C2 ZINC000066043862 1129125739 /nfs/dbraw/zinc/12/57/39/1129125739.db2.gz BWNZQEVFDIJAKA-VIFPVBQESA-N -1 0 349.333 3.645 20 0 EHADRM COc1ccc(CCNC(=O)c2ccc([O-])c(Cl)c2)c(Cl)c1 ZINC000134305320 1123514732 /nfs/dbraw/zinc/51/47/32/1123514732.db2.gz YDAKIRNRNWINQY-UHFFFAOYSA-N -1 0 340.206 3.680 20 0 EHADRM COCCCCN(Cc1ccccc1)C(=O)c1c([O-])cc(F)cc1F ZINC000066052842 1129127462 /nfs/dbraw/zinc/12/74/62/1129127462.db2.gz PWZGSFFVKGMNOX-UHFFFAOYSA-N -1 0 349.377 3.739 20 0 EHADRM CC(C)[C@@H](NC(=O)C[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000013468939 1129127684 /nfs/dbraw/zinc/12/76/84/1129127684.db2.gz HGJVMYXKAOSNPA-IEBWSBKVSA-N -1 0 325.408 3.758 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)CCc2ccc(-c3ccccc3)o2)cc1 ZINC000238108162 1123562572 /nfs/dbraw/zinc/56/25/72/1123562572.db2.gz KDGAZGJHKFRZFT-UHFFFAOYSA-N -1 0 349.386 3.894 20 0 EHADRM Cc1cc(Cl)cc([N-]S(=O)(=O)c2cccc(Cl)c2)c1O ZINC000135091602 1123581729 /nfs/dbraw/zinc/58/17/29/1123581729.db2.gz XXFBVGPBNQWCDO-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM CSCc1cccc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000609466094 1123586137 /nfs/dbraw/zinc/58/61/37/1123586137.db2.gz CGHKJUCVBQNKRC-INIZCTEOSA-N -1 0 329.421 3.747 20 0 EHADRM O=S(=O)([N-]c1nccs1)c1c(Cl)cc(Cl)cc1Cl ZINC000079243115 1123681047 /nfs/dbraw/zinc/68/10/47/1123681047.db2.gz AOQMCOTUMOWYPT-UHFFFAOYSA-N -1 0 343.644 3.904 20 0 EHADRM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000079268875 1123682214 /nfs/dbraw/zinc/68/22/14/1123682214.db2.gz STMMQHGWELUIMG-UHFFFAOYSA-N -1 0 342.823 3.654 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccccc1Cl ZINC000064690837 1123716739 /nfs/dbraw/zinc/71/67/39/1123716739.db2.gz QUKRHGIKIGWWER-UHFFFAOYSA-N -1 0 348.182 3.826 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)CCc1ccc(Cl)cc1 ZINC000237647400 1123800158 /nfs/dbraw/zinc/80/01/58/1123800158.db2.gz YYWFWGYWIFYWGM-KRWDZBQOSA-N -1 0 345.826 3.913 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N2CCC[C@@H]2C2CCCC2)s1 ZINC000615476744 1123804645 /nfs/dbraw/zinc/80/46/45/1123804645.db2.gz ITLHEBHCVVYUJB-CQSZACIVSA-N -1 0 336.505 3.879 20 0 EHADRM CC(C)c1cc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)on1 ZINC000114499278 1129152145 /nfs/dbraw/zinc/15/21/45/1129152145.db2.gz CKFMCMDGYHMZAA-UHFFFAOYSA-N -1 0 349.239 3.583 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cc2cc(Cl)ccc2o1 ZINC000237938962 1123917312 /nfs/dbraw/zinc/91/73/12/1123917312.db2.gz SMSSZDXINLBKFY-ZDUSSCGKSA-N -1 0 335.787 3.946 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)c2ccc(OCC3CC3)cc2)cc1 ZINC000237955979 1123920944 /nfs/dbraw/zinc/92/09/44/1123920944.db2.gz JEAMZDHRMCWLPL-LFYBBSHMSA-N -1 0 337.375 3.826 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)cc1 ZINC000237946254 1123922969 /nfs/dbraw/zinc/92/29/69/1123922969.db2.gz FXKMAEXYTCWQRN-YESVKVCSSA-N -1 0 343.329 3.805 20 0 EHADRM O=C([O-])COc1ccc(CCNC(=O)CCCC2CCCCC2)cc1 ZINC000237948011 1123925812 /nfs/dbraw/zinc/92/58/12/1123925812.db2.gz KZRYJTKDTCHYGW-UHFFFAOYSA-N -1 0 347.455 3.559 20 0 EHADRM CSc1cc(C(=O)N=c2[nH][n-]c(-c3ccc(C)o3)c2C)c(C)o1 ZINC000616251040 1123969480 /nfs/dbraw/zinc/96/94/80/1123969480.db2.gz IWBMFQJGQRXKRI-UHFFFAOYSA-N -1 0 331.397 3.584 20 0 EHADRM CC(C)(C)C[C@@H]1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1(C)C ZINC000616301764 1123980057 /nfs/dbraw/zinc/98/00/57/1123980057.db2.gz WDXVPIOIFFIXQR-NSHDSACASA-N -1 0 331.416 3.605 20 0 EHADRM CCc1oc(C(=O)N[C@H]2CC(C)(C)c3ccccc32)cc1C(=O)[O-] ZINC000263551714 1124082294 /nfs/dbraw/zinc/08/22/94/1124082294.db2.gz WRTGCDXXCGWDTC-AWEZNQCLSA-N -1 0 327.380 3.693 20 0 EHADRM CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](C)CCC(=O)[O-] ZINC000263551292 1124082347 /nfs/dbraw/zinc/08/23/47/1124082347.db2.gz WODAHEQMNXCHGA-AAEUAGOBSA-N -1 0 345.361 3.644 20 0 EHADRM Cc1ccc2c(C(=O)N3CC[C@@](C(=O)[O-])(C(C)C)C3)csc2c1 ZINC000263557110 1124101478 /nfs/dbraw/zinc/10/14/78/1124101478.db2.gz ZJVABXSHTWQEPS-SFHVURJKSA-N -1 0 331.437 3.783 20 0 EHADRM Cc1ccc(OCCCC(=O)N=c2cc(-c3cccs3)[nH][nH]2)cc1 ZINC000617365285 1124499842 /nfs/dbraw/zinc/49/98/42/1124499842.db2.gz DPNQLRVMPUUORZ-UHFFFAOYSA-N -1 0 341.436 3.666 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cc(Cl)cc(Cl)c2)CCCCC1 ZINC000084146442 1124556812 /nfs/dbraw/zinc/55/68/12/1124556812.db2.gz WALJCUSLGAQOJL-UHFFFAOYSA-N -1 0 330.211 3.901 20 0 EHADRM Cc1cccc(CSCC(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC000324862149 1124865892 /nfs/dbraw/zinc/86/58/92/1124865892.db2.gz MPTJNRLXFKNERM-YFHOEESVSA-N -1 0 341.432 3.965 20 0 EHADRM CCOc1cccc(C(=O)/C=C/c2cccc(O[C@H](C)C(=O)[O-])c2)c1 ZINC000069622041 1124956433 /nfs/dbraw/zinc/95/64/33/1124956433.db2.gz XVWQVXMVEZXPPT-PLSXKVAHSA-N -1 0 340.375 3.833 20 0 EHADRM O=S(=O)([N-]c1cnc2ccccc2c1)c1cccc2cccnc21 ZINC000145842150 1125005527 /nfs/dbraw/zinc/00/55/27/1125005527.db2.gz MUJYFFXTCMITOG-UHFFFAOYSA-N -1 0 335.388 3.584 20 0 EHADRM Cc1ccc(NC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])cc1 ZINC000618489520 1125096041 /nfs/dbraw/zinc/09/60/41/1125096041.db2.gz ILWCEIUFMNNMPL-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)N2CC(C)(C)[C@@H]2c2ccccc2)s1 ZINC000619330541 1125336064 /nfs/dbraw/zinc/33/60/64/1125336064.db2.gz YSTZNOPZLBSCQE-ZDUSSCGKSA-N -1 0 344.484 3.873 20 0 EHADRM COc1ccccc1Oc1ccc(NC(=O)[C@H]2CC[C@@H]2C(=O)[O-])cc1 ZINC000262251080 1125416561 /nfs/dbraw/zinc/41/65/61/1125416561.db2.gz WWIUQONQFSNPBG-GJZGRUSLSA-N -1 0 341.363 3.537 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1n[n-]c2ccccc2c1=O)c1ccccc1 ZINC000735650646 1131369368 /nfs/dbraw/zinc/36/93/68/1131369368.db2.gz BJRXQIKZHPDWEQ-SFHVURJKSA-N -1 0 335.407 3.853 20 0 EHADRM COc1ccc(CN=c2[n-]nc(Cc3ccc(F)cc3)s2)c(C)c1 ZINC000543436977 1129484654 /nfs/dbraw/zinc/48/46/54/1129484654.db2.gz XWCKZTJBEBSZPJ-UHFFFAOYSA-N -1 0 343.427 3.619 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc2ccc(F)cc2s1 ZINC000391873834 1129690168 /nfs/dbraw/zinc/69/01/68/1129690168.db2.gz VYIZVXBJBINSSZ-HONMWMINSA-N -1 0 347.411 3.898 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)CCc1ccc(OC)c(Cl)c1 ZINC000073837445 1129750007 /nfs/dbraw/zinc/75/00/07/1129750007.db2.gz JHBFKKPODWMWAM-UHFFFAOYSA-N -1 0 347.864 3.756 20 0 EHADRM CCC(CC)c1n[n-]c(=NCc2cc(OC)c(OC)cc2C)s1 ZINC000347809295 1129846597 /nfs/dbraw/zinc/84/65/97/1129846597.db2.gz GUXFHNWIMRUVOE-UHFFFAOYSA-N -1 0 335.473 3.801 20 0 EHADRM CCCOc1cc(CN=c2[n-]nc(C3CCCCC3)o2)ccc1OC ZINC000347813881 1129864246 /nfs/dbraw/zinc/86/42/46/1129864246.db2.gz LECZMFYWSAKOMD-UHFFFAOYSA-N -1 0 345.443 3.949 20 0 EHADRM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2c[nH]c(C(C)C)n2)c1 ZINC000673883742 1129894954 /nfs/dbraw/zinc/89/49/54/1129894954.db2.gz AHKMKDZNFGPTER-GFCCVEGCSA-N -1 0 337.445 3.511 20 0 EHADRM O=C(Nc1cc(C(F)(F)F)ccc1O)c1c([O-])cc(F)cc1F ZINC000673910360 1129903397 /nfs/dbraw/zinc/90/33/97/1129903397.db2.gz BNOFZKGDLRRGSR-UHFFFAOYSA-N -1 0 333.212 3.647 20 0 EHADRM O=C([O-])[C@@H](CC(=O)Nc1ccc(OCC(F)F)cc1)c1ccccc1 ZINC000673932714 1129907821 /nfs/dbraw/zinc/90/78/21/1129907821.db2.gz BTBHZQHFQQVIEW-HNNXBMFYSA-N -1 0 349.333 3.528 20 0 EHADRM Nc1ccc(N(c2ccc(C(=O)[O-])c(F)c2F)C2CCCC2)nc1 ZINC001212512296 1129920672 /nfs/dbraw/zinc/92/06/72/1129920672.db2.gz GFTYWYOSJJQUPZ-UHFFFAOYSA-N -1 0 333.338 3.721 20 0 EHADRM COC(=O)c1cc(Nc2ccc(C(=O)[O-])c(F)c2F)c(C)cc1C ZINC001212514717 1129927494 /nfs/dbraw/zinc/92/74/94/1129927494.db2.gz JCIFNPNHHLHOBC-UHFFFAOYSA-N -1 0 335.306 3.810 20 0 EHADRM O=C(CSCc1ccc(Cl)cc1)NCc1ccc(O)c(F)c1 ZINC000133231991 1129938913 /nfs/dbraw/zinc/93/89/13/1129938913.db2.gz YOCFCGIUSGIXBL-UHFFFAOYSA-N -1 0 339.819 3.734 20 0 EHADRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1nccc2sccc21 ZINC000509206455 1129975519 /nfs/dbraw/zinc/97/55/19/1129975519.db2.gz YKIHXICFORYAQE-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM CC(C)OCc1ccc(C(=O)N=c2ccc(-c3ccccc3)n[n-]2)cc1 ZINC000466618018 1129976449 /nfs/dbraw/zinc/97/64/49/1129976449.db2.gz DQECLKIRTGGFPN-UHFFFAOYSA-N -1 0 347.418 3.743 20 0 EHADRM CSc1ccncc1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000674716026 1130179062 /nfs/dbraw/zinc/17/90/62/1130179062.db2.gz ZGVMOJLQCWWDSQ-UHFFFAOYSA-N -1 0 328.846 3.566 20 0 EHADRM O=C(N[C@H]1CCc2cc(F)c(F)c(F)c21)C(F)(F)c1ccccc1 ZINC001128948887 1130263797 /nfs/dbraw/zinc/26/37/97/1130263797.db2.gz GQSMVAFZKKAAGV-LBPRGKRZSA-N -1 0 341.279 3.999 20 0 EHADRM CCC[C@H](NC(=O)c1sc2cc(C)ccc2c1Cl)c1nnn[n-]1 ZINC000675144808 1130266388 /nfs/dbraw/zinc/26/63/88/1130266388.db2.gz VVLLRKQLUDLVBT-JTQLQIEISA-N -1 0 349.847 3.647 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]c1ccn([C@@H](C)c2ccccc2)n1 ZINC000675285082 1130302909 /nfs/dbraw/zinc/30/29/09/1130302909.db2.gz OOTWSBDYKFLSGK-HNNXBMFYSA-N -1 0 341.436 3.602 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 ZINC000675296912 1130304745 /nfs/dbraw/zinc/30/47/45/1130304745.db2.gz BABNHVHCXWOSAW-UHFFFAOYSA-N -1 0 348.371 3.623 20 0 EHADRM Cn1nc(C2CCCCC2)cc1NC(=O)c1c([O-])cc(F)cc1F ZINC000675708632 1130455094 /nfs/dbraw/zinc/45/50/94/1130455094.db2.gz CYWUQPKYFQPGPD-UHFFFAOYSA-N -1 0 335.354 3.704 20 0 EHADRM CC(C)c1ccc(SCC(=O)N(CCC(=O)[O-])CC2CC2)cc1 ZINC000675971484 1130512125 /nfs/dbraw/zinc/51/21/25/1130512125.db2.gz YBJODHHISLCUDQ-UHFFFAOYSA-N -1 0 335.469 3.615 20 0 EHADRM CCc1cccc2c(CC(=O)N(CC(=O)[O-])C3CCCCC3)c[nH]c21 ZINC000675993364 1130513555 /nfs/dbraw/zinc/51/35/55/1130513555.db2.gz CZOUNSZIKZWDNV-UHFFFAOYSA-N -1 0 342.439 3.519 20 0 EHADRM O=C([O-])C1(CNC(=O)c2ccccc2Nc2ccccc2)CCCC1 ZINC000676024924 1130517946 /nfs/dbraw/zinc/51/79/46/1130517946.db2.gz GAZIARWROTZRKQ-UHFFFAOYSA-N -1 0 338.407 3.805 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1csc2ccccc21 ZINC000730019347 1130667325 /nfs/dbraw/zinc/66/73/25/1130667325.db2.gz ISWQIYXSYQQZLL-YUTCNCBUSA-N -1 0 329.421 3.746 20 0 EHADRM O=C(Nc1cnn(-c2ccccc2Cl)c1)c1c([O-])cc(F)cc1F ZINC000730287832 1130693653 /nfs/dbraw/zinc/69/36/53/1130693653.db2.gz ZWWVMPZTGCXALX-UHFFFAOYSA-N -1 0 349.724 3.762 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)CC2=CCCCC2)c1C ZINC000730393742 1130704570 /nfs/dbraw/zinc/70/45/70/1130704570.db2.gz BFBFZDHDJISAGF-UHFFFAOYSA-N -1 0 335.469 3.616 20 0 EHADRM O=C(Nc1cnn(CC2CC2)c1)c1c([O-])cc(Cl)cc1Cl ZINC000175260627 1130710238 /nfs/dbraw/zinc/71/02/38/1130710238.db2.gz RGSIWPPTCXNJNL-UHFFFAOYSA-N -1 0 326.183 3.558 20 0 EHADRM C[C@@H](Oc1nc[n-]c(=O)c1Cl)c1ccc(F)c(Br)c1 ZINC001230015785 1130740634 /nfs/dbraw/zinc/74/06/34/1130740634.db2.gz BXYHENVKULRUSJ-ZCFIWIBFSA-N -1 0 347.571 3.877 20 0 EHADRM CCC(CC)CS(=O)(=O)[N-]C(=O)c1oc2c(cccc2C)c1C ZINC000733060211 1130990192 /nfs/dbraw/zinc/99/01/92/1130990192.db2.gz RBUGYKFKISRDAP-UHFFFAOYSA-N -1 0 337.441 3.545 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)c1oc2c(c1C)c(C)ccc2C ZINC000733713043 1131073999 /nfs/dbraw/zinc/07/39/99/1131073999.db2.gz SRWYOCWQETXMFB-UHFFFAOYSA-N -1 0 337.441 3.606 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)[N-]S(=O)(=O)CC(CC)CC)cc1 ZINC000739185154 1131493274 /nfs/dbraw/zinc/49/32/74/1131493274.db2.gz FAYPNYSTYRVLRW-CQSZACIVSA-N -1 0 339.501 3.625 20 0 EHADRM CCCn1cc([N-]S(=O)(=O)c2ccc(CCC(C)C)cc2)cn1 ZINC000743262547 1131887482 /nfs/dbraw/zinc/88/74/82/1131887482.db2.gz ZZUNTCDIPISKCO-UHFFFAOYSA-N -1 0 335.473 3.683 20 0 EHADRM Cc1cc(NC(=O)c2n[n-]c3ccccc3c2=O)ccc1C(F)(F)F ZINC000743748739 1131971758 /nfs/dbraw/zinc/97/17/58/1131971758.db2.gz ONHHUHZBRZNPQV-UHFFFAOYSA-N -1 0 347.296 3.915 20 0 EHADRM CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000744072043 1132015009 /nfs/dbraw/zinc/01/50/09/1132015009.db2.gz LZGAHFAKXMAHIE-LLVKDONJSA-N -1 0 349.855 3.891 20 0 EHADRM CC(C)CS(=O)(=O)[N-]C(=O)c1ccccc1Sc1ccccc1 ZINC000744084536 1132017935 /nfs/dbraw/zinc/01/79/35/1132017935.db2.gz KZLQUUIORWPPJQ-UHFFFAOYSA-N -1 0 349.477 3.553 20 0 EHADRM COc1ccc(Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)cc1 ZINC001173804778 1132151984 /nfs/dbraw/zinc/15/19/84/1132151984.db2.gz FNKHXVJKGOIAEI-UHFFFAOYSA-N -1 0 329.377 3.839 20 0 EHADRM COc1ccccc1Nc1ccc2ccccc2c1S(=O)(=O)[O-] ZINC001173841497 1132164338 /nfs/dbraw/zinc/16/43/38/1132164338.db2.gz WYBRJSWNGGBNEX-UHFFFAOYSA-N -1 0 329.377 3.839 20 0 EHADRM O=C([O-])CNC(=O)c1ccc(Nc2cccc(-c3ccccc3)c2)cc1 ZINC001173911252 1132171899 /nfs/dbraw/zinc/17/18/99/1132171899.db2.gz FWQKMFSFRKFBLC-UHFFFAOYSA-N -1 0 346.386 3.912 20 0 EHADRM O=S(=O)(c1ccc(Nc2ccc([S-])cc2)cc1)N1CCCCC1 ZINC001174262274 1132304707 /nfs/dbraw/zinc/30/47/07/1132304707.db2.gz PEHASSYFTKUPCR-UHFFFAOYSA-N -1 0 348.493 3.894 20 0 EHADRM COC(=O)c1ccc(Nc2cccc(C=CC(=O)[O-])c2)c(C(C)=O)c1 ZINC001174500376 1132370790 /nfs/dbraw/zinc/37/07/90/1132370790.db2.gz QDKAUARFPBRHAQ-RMKNXTFCSA-N -1 0 339.347 3.517 20 0 EHADRM Nc1cccc(-c2cccc(Nc3cccc(/C=C/C(=O)[O-])c3)n2)n1 ZINC001174494370 1132371075 /nfs/dbraw/zinc/37/10/75/1132371075.db2.gz DAHHBVLQUAJGAH-ZHACJKMWSA-N -1 0 332.363 3.567 20 0 EHADRM CCOC(=O)c1nc(C2CC2)oc1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174495384 1132371814 /nfs/dbraw/zinc/37/18/14/1132371814.db2.gz PWUNGDQTARIJJY-RMKNXTFCSA-N -1 0 342.351 3.570 20 0 EHADRM Cc1nccc(Br)c1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174495716 1132371879 /nfs/dbraw/zinc/37/18/79/1132371879.db2.gz VPFMGMMOUIYPOE-AATRIKPKSA-N -1 0 333.185 3.994 20 0 EHADRM Cc1ccccc1C[C@H](C)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000746132842 1132380378 /nfs/dbraw/zinc/38/03/78/1132380378.db2.gz AKDVUJCXQVGBMU-LBPRGKRZSA-N -1 0 326.421 3.786 20 0 EHADRM Cc1cc(C)c(Nc2ccc(N3CCCC3)cc2)c(S(=O)(=O)[O-])c1 ZINC001174528111 1132384235 /nfs/dbraw/zinc/38/42/35/1132384235.db2.gz YEAIICOVLVPIOP-UHFFFAOYSA-N -1 0 346.452 3.894 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2ccc3cn[nH]c3c2)c2ccccc21 ZINC001174501811 1132390824 /nfs/dbraw/zinc/39/08/24/1132390824.db2.gz HTTKRBWGAUOOKK-UHFFFAOYSA-N -1 0 339.376 3.706 20 0 EHADRM COC(=O)Cc1c(F)ccc(Nc2cccc(/C=C/C(=O)[O-])c2)c1F ZINC001174501024 1132390893 /nfs/dbraw/zinc/39/08/93/1132390893.db2.gz WPYZFJKKQRFOCX-VMPITWQZSA-N -1 0 347.317 3.522 20 0 EHADRM O=C(NCC1(c2cccc(F)c2)CC1)c1ccc2[n-]c(=S)oc2c1 ZINC000746288873 1132398482 /nfs/dbraw/zinc/39/84/82/1132398482.db2.gz CSRBUERMJVQRCC-UHFFFAOYSA-N -1 0 342.395 3.717 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cc(CCc2ccccc2)no1 ZINC001174670289 1132432376 /nfs/dbraw/zinc/43/23/76/1132432376.db2.gz IUVNOAJAILENKD-UHFFFAOYSA-N -1 0 338.363 3.910 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1nc(Br)ccc1C ZINC001174676313 1132433047 /nfs/dbraw/zinc/43/30/47/1132433047.db2.gz CQTDDMQXOGLMRF-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM COc1cc(Nc2cc(-c3ccccc3C)nn2C)ccc1C(=O)[O-] ZINC001174682969 1132435855 /nfs/dbraw/zinc/43/58/55/1132435855.db2.gz JOWUXLGORZTYTM-UHFFFAOYSA-N -1 0 337.379 3.846 20 0 EHADRM CCOC(=O)c1ccc(Nc2ccc(C(=O)[O-])c(OC)c2)c(C)c1 ZINC001174685357 1132436102 /nfs/dbraw/zinc/43/61/02/1132436102.db2.gz SMDGINNTWOTZJV-UHFFFAOYSA-N -1 0 329.352 3.622 20 0 EHADRM COc1cc(Nc2cc(C(C)=O)cc(C(C)=O)c2)ccc1C(=O)[O-] ZINC001174686786 1132436456 /nfs/dbraw/zinc/43/64/56/1132436456.db2.gz UUWCQUIMTSFWKK-UHFFFAOYSA-N -1 0 327.336 3.542 20 0 EHADRM COC(=O)c1cc(Cl)cc(Nc2ccc(C(=O)[O-])c(OC)c2)c1C ZINC001174686178 1132436811 /nfs/dbraw/zinc/43/68/11/1132436811.db2.gz KPEOAHCGMYBBOV-UHFFFAOYSA-N -1 0 349.770 3.885 20 0 EHADRM CCOC(=O)CCc1cccc(Nc2ccc(C(=O)[O-])c(OC)c2)c1 ZINC001174687854 1132436952 /nfs/dbraw/zinc/43/69/52/1132436952.db2.gz HMAMRIAJFCYTKT-UHFFFAOYSA-N -1 0 343.379 3.633 20 0 EHADRM CC(C)(C)OC(=O)Nc1cc(Nc2ccc(C(=O)[O-])s2)ccn1 ZINC001174802426 1132477733 /nfs/dbraw/zinc/47/77/33/1132477733.db2.gz BWFPAGBRZOETGA-UHFFFAOYSA-N -1 0 335.385 3.932 20 0 EHADRM COC(=O)c1oc2cc(F)ccc2c1Nc1ccc(C(=O)[O-])s1 ZINC001174807031 1132478208 /nfs/dbraw/zinc/47/82/08/1132478208.db2.gz GQZGPFSELVDSAI-UHFFFAOYSA-N -1 0 335.312 3.862 20 0 EHADRM CCOc1cc(Nc2ccc(C(=O)[O-])s2)cnc1Br ZINC001174805717 1132478347 /nfs/dbraw/zinc/47/83/47/1132478347.db2.gz WZCPJIXJAAQGCM-UHFFFAOYSA-N -1 0 343.202 3.746 20 0 EHADRM O=C([O-])c1ccc(Nc2c(F)cccc2OC[C@H]2CCCO2)s1 ZINC001174806609 1132478456 /nfs/dbraw/zinc/47/84/56/1132478456.db2.gz CEDXPRZBOUQCMG-SNVBAGLBSA-N -1 0 337.372 3.887 20 0 EHADRM COC(=O)c1cc(Cl)c(Nc2ccc(C(=O)[O-])s2)cc1OC ZINC001174808959 1132479028 /nfs/dbraw/zinc/47/90/28/1132479028.db2.gz XMZBXSCIJAQGML-UHFFFAOYSA-N -1 0 341.772 3.639 20 0 EHADRM COC(=O)c1ccc(Nc2ccc(C(=O)[O-])s2)c(C(F)(F)F)c1 ZINC001174808300 1132479086 /nfs/dbraw/zinc/47/90/86/1132479086.db2.gz UMBIBKABSUGPBV-UHFFFAOYSA-N -1 0 345.298 3.995 20 0 EHADRM Nc1ccccc1S(=O)(=O)[N-]c1cccc2c3ccccc3oc21 ZINC001174856325 1132488799 /nfs/dbraw/zinc/48/87/99/1132488799.db2.gz RUKYDGZCEKDDKC-UHFFFAOYSA-N -1 0 338.388 3.969 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2ccc3nc(Cl)ccc3c2)cc1 ZINC000746354146 1132489123 /nfs/dbraw/zinc/48/91/23/1132489123.db2.gz OKXYBVMBJRRFKQ-UHFFFAOYSA-N -1 0 340.766 3.516 20 0 EHADRM S=c1[n-]c2ccc(Nc3ccc(N4CCOCC4)nc3)cc2s1 ZINC001174975692 1132509696 /nfs/dbraw/zinc/50/96/96/1132509696.db2.gz AKNLJUOEFYEXRZ-UHFFFAOYSA-N -1 0 344.465 3.560 20 0 EHADRM O=C([O-])Cc1ccc(Nc2cnc(Br)c(Cl)c2)cc1 ZINC001174947214 1132515158 /nfs/dbraw/zinc/51/51/58/1132515158.db2.gz GBAXTTHZXMQLKW-UHFFFAOYSA-N -1 0 341.592 3.868 20 0 EHADRM O=C([O-])Cc1ccc(Nc2nc(Cl)c(Cl)nc2Cl)cc1 ZINC001174950059 1132516603 /nfs/dbraw/zinc/51/66/03/1132516603.db2.gz MSAQWOBYIYCTIP-UHFFFAOYSA-N -1 0 332.574 3.808 20 0 EHADRM COc1cc(Br)cc(Nc2ccc(CC(=O)[O-])cc2)c1 ZINC001174953482 1132516789 /nfs/dbraw/zinc/51/67/89/1132516789.db2.gz SRQOHIXNMJQDGR-UHFFFAOYSA-N -1 0 336.185 3.828 20 0 EHADRM COc1cc(Br)ccc1Nc1ccc(CC(=O)[O-])cc1 ZINC001174952156 1132516857 /nfs/dbraw/zinc/51/68/57/1132516857.db2.gz LPALMZCQCIGRHD-UHFFFAOYSA-N -1 0 336.185 3.828 20 0 EHADRM O=C([O-])Cc1ccc(Nc2ccc(OC[C@@H]3CCCO3)c(F)c2)cc1 ZINC001174954030 1132517759 /nfs/dbraw/zinc/51/77/59/1132517759.db2.gz XWIYFGLUDVBFCP-INIZCTEOSA-N -1 0 345.370 3.754 20 0 EHADRM Nc1cc2c(ccn2-c2ccc(CC(=O)[O-])cc2)c(Br)c1 ZINC001174955007 1132517777 /nfs/dbraw/zinc/51/77/77/1132517777.db2.gz XHBAKORKSQPRPA-UHFFFAOYSA-N -1 0 345.196 3.602 20 0 EHADRM Nc1ccc(Br)c(F)c1Nc1ccc(CC(=O)[O-])cc1 ZINC001174956885 1132518511 /nfs/dbraw/zinc/51/85/11/1132518511.db2.gz SDBCRDOUXNPXGU-UHFFFAOYSA-N -1 0 339.164 3.541 20 0 EHADRM CN(C)c1cccc(Nc2ccc3ccccc3c2S(=O)(=O)[O-])c1 ZINC001174963834 1132520930 /nfs/dbraw/zinc/52/09/30/1132520930.db2.gz UIDOLZZLSRZNHG-UHFFFAOYSA-N -1 0 342.420 3.896 20 0 EHADRM COc1cc(F)cc(Nc2cc(Cl)c(C)cc2S(=O)(=O)[O-])c1 ZINC001175008794 1132528771 /nfs/dbraw/zinc/52/87/71/1132528771.db2.gz DFJIWUYJTASOTH-UHFFFAOYSA-N -1 0 345.779 3.786 20 0 EHADRM COCCCOc1ccc(Nc2cc(C(=O)[O-])ccc2C)cc1F ZINC001174982618 1132535524 /nfs/dbraw/zinc/53/55/24/1132535524.db2.gz PLXFYLHMCLUDOB-UHFFFAOYSA-N -1 0 333.359 3.991 20 0 EHADRM CCCCc1ccc(Nc2ccc(S(=O)(=O)[N-]C(C)=O)cc2)cc1 ZINC001175030590 1132542976 /nfs/dbraw/zinc/54/29/76/1132542976.db2.gz GDJYPSVRNMMSGT-UHFFFAOYSA-N -1 0 346.452 3.598 20 0 EHADRM COc1cc(C)c(Nc2cc(S(=O)(=O)[O-])ccc2Cl)cc1C ZINC001175116233 1132558460 /nfs/dbraw/zinc/55/84/60/1132558460.db2.gz IBYPWXRZDFDBNT-UHFFFAOYSA-N -1 0 341.816 3.956 20 0 EHADRM Cc1cc(Br)ncc1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175154350 1132568879 /nfs/dbraw/zinc/56/88/79/1132568879.db2.gz KZBXXFXXJFNIAJ-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM Cc1ccc(Br)nc1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175158870 1132570841 /nfs/dbraw/zinc/57/08/41/1132570841.db2.gz UCVRQJROVAISTE-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM O=C([O-])c1ccc(Nc2cccc(C(=O)N3CCCCC3)c2)cc1F ZINC001175158436 1132570924 /nfs/dbraw/zinc/57/09/24/1132570924.db2.gz RANQKTGJBBLJMF-UHFFFAOYSA-N -1 0 342.370 3.894 20 0 EHADRM Nc1cc(Br)cc(F)c1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175160296 1132571418 /nfs/dbraw/zinc/57/14/18/1132571418.db2.gz NWMPGIHYXUBWRB-UHFFFAOYSA-N -1 0 343.127 3.751 20 0 EHADRM Cc1cc(C)c(Nc2c(F)cc(F)cc2F)c(S(=O)(=O)[O-])c1 ZINC001175146107 1132581748 /nfs/dbraw/zinc/58/17/48/1132581748.db2.gz GJUXGPSXMVGMTD-UHFFFAOYSA-N -1 0 331.315 3.711 20 0 EHADRM O=C(c1ccccc1)N1CCC[C@@H](Nc2cc(F)ccc2[S-])C1 ZINC001168898799 1132592256 /nfs/dbraw/zinc/59/22/56/1132592256.db2.gz LSSQBSUMPVJNJZ-OAHLLOKOSA-N -1 0 330.428 3.831 20 0 EHADRM COC(=O)c1cc(Cl)sc1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175217911 1132597943 /nfs/dbraw/zinc/59/79/43/1132597943.db2.gz XHSGISRDSMYRSW-UHFFFAOYSA-N -1 0 329.736 3.769 20 0 EHADRM O=C([O-])c1cc(Nc2ccc(F)c(Br)c2O)ccc1F ZINC001175222049 1132598948 /nfs/dbraw/zinc/59/89/48/1132598948.db2.gz PNPZEQWJDCPVCJ-UHFFFAOYSA-N -1 0 344.111 3.875 20 0 EHADRM O=C([O-])c1cc(Nc2ccccc2-c2nc(CO)cs2)ccc1F ZINC001175221856 1132599075 /nfs/dbraw/zinc/59/90/75/1132599075.db2.gz PDFQZYUUKWUWKY-UHFFFAOYSA-N -1 0 344.367 3.883 20 0 EHADRM C[S@@](=O)c1ccccc1Nc1c(Cl)c(F)[n-]c(=O)c1Cl ZINC001175302893 1132631455 /nfs/dbraw/zinc/63/14/55/1132631455.db2.gz BJVQUWQYYVNOTG-HXUWFJFHSA-N -1 0 335.187 3.714 20 0 EHADRM O=C([O-])c1ccc(Nc2ccnc(Br)c2)cc1Cl ZINC001175313876 1132634638 /nfs/dbraw/zinc/63/46/38/1132634638.db2.gz MPVTUTWDZOZNTH-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM COC(=O)c1sc(C)cc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175314699 1132635232 /nfs/dbraw/zinc/63/52/32/1132635232.db2.gz XQMUIFJAJBLNNF-UHFFFAOYSA-N -1 0 325.773 3.938 20 0 EHADRM COc1nc(C)nc(Cl)c1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175315218 1132636105 /nfs/dbraw/zinc/63/61/05/1132636105.db2.gz QVDJJJRRLXJYJO-UHFFFAOYSA-N -1 0 328.155 3.542 20 0 EHADRM O=C([O-])c1cccc(Nc2ccc3nc(-c4ccccc4F)nn3c2)c1 ZINC001175330262 1132641079 /nfs/dbraw/zinc/64/10/79/1132641079.db2.gz MATQMBPRDYBDTF-UHFFFAOYSA-N -1 0 348.337 3.977 20 0 EHADRM COc1ccc2cc(NC(=O)c3cc(=O)c4ccccc4[n-]3)ccc2c1 ZINC000804305812 1132652251 /nfs/dbraw/zinc/65/22/51/1132652251.db2.gz IUBYZWJJRXVKQF-UHFFFAOYSA-N -1 0 344.370 3.942 20 0 EHADRM CC[C@H](NC(=O)c1ccc2oc(=S)[n-]c2c1)C(=O)c1ccccc1 ZINC001175534489 1132702752 /nfs/dbraw/zinc/70/27/52/1132702752.db2.gz MMCGOSFGCTUYLV-ZDUSSCGKSA-N -1 0 340.404 3.508 20 0 EHADRM CCc1c(Cl)nc(-c2ccccc2)nc1NCc1cc(=O)[n-]o1 ZINC001169483588 1132765799 /nfs/dbraw/zinc/76/57/99/1132765799.db2.gz AAEWEOSLVZNLFL-UHFFFAOYSA-N -1 0 330.775 3.665 20 0 EHADRM O=C([O-])c1cncc(Nc2ccc3nccc(Br)c3c2)c1 ZINC001175841934 1132773084 /nfs/dbraw/zinc/77/30/84/1132773084.db2.gz FPICSWTXDZPTCX-UHFFFAOYSA-N -1 0 344.168 3.834 20 0 EHADRM Nc1ccc2c(cc(-c3ccccc3)n2-c2cncc(C(=O)[O-])c2)c1 ZINC001175842857 1132773404 /nfs/dbraw/zinc/77/34/04/1132773404.db2.gz RGDXWBBJJKENSJ-UHFFFAOYSA-N -1 0 329.359 3.973 20 0 EHADRM Cc1cc(Nc2cncc(C(=O)[O-])c2)cc(F)c1Br ZINC001175843015 1132773560 /nfs/dbraw/zinc/77/35/60/1132773560.db2.gz WXXCQBXFZPAFLV-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM CC(C)CNC(=O)c1ccc(Cl)c(Nc2cncc(C(=O)[O-])c2)c1 ZINC001175842994 1132773765 /nfs/dbraw/zinc/77/37/65/1132773765.db2.gz WUHKTRUPDIGSNO-UHFFFAOYSA-N -1 0 347.802 3.563 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000766812953 1132852027 /nfs/dbraw/zinc/85/20/27/1132852027.db2.gz BTIMPKGIPZLUOU-HNNXBMFYSA-N -1 0 343.398 3.508 20 0 EHADRM CCOC(=O)c1noc([N-]c2c(C)noc2C)c1-c1ccccc1 ZINC001176178448 1132857492 /nfs/dbraw/zinc/85/74/92/1132857492.db2.gz VEBQOWSXOFJFBQ-UHFFFAOYSA-N -1 0 327.340 3.867 20 0 EHADRM O=C(NCC1(CC2CC2)CC1)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001176276019 1132887809 /nfs/dbraw/zinc/88/78/09/1132887809.db2.gz FRUBOPTUWUNCJM-UHFFFAOYSA-N -1 0 345.830 3.541 20 0 EHADRM O=C([O-])Cn1cc(Nc2ccc3cc(Br)ccc3c2)cn1 ZINC001176266593 1132897650 /nfs/dbraw/zinc/89/76/50/1132897650.db2.gz FRMKEZFQZOYWEO-UHFFFAOYSA-N -1 0 346.184 3.627 20 0 EHADRM CN(C)c1ncc(Nc2ccc([C@H](C(=O)[O-])C(C)(C)C)cc2)cn1 ZINC001176334014 1132901687 /nfs/dbraw/zinc/90/16/87/1132901687.db2.gz QILXQMYVDFZCOF-OAHLLOKOSA-N -1 0 328.416 3.501 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cc1)c1c(Cl)ccnc1Cl ZINC000766891256 1132910861 /nfs/dbraw/zinc/91/08/61/1132910861.db2.gz BNBLZLQMGYQTRI-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM C/C(=C\C(=O)N(CCC(=O)[O-])C1CC1)c1cccc(C(F)(F)F)c1 ZINC000766914082 1132913131 /nfs/dbraw/zinc/91/31/31/1132913131.db2.gz QRPMUPPMLDFHEP-PKNBQFBNSA-N -1 0 341.329 3.574 20 0 EHADRM Cc1cc(Br)c(Nc2csc(C(=O)[O-])c2)nc1C ZINC001176435704 1132929178 /nfs/dbraw/zinc/92/91/78/1132929178.db2.gz ODKKVCYBXLNNGA-UHFFFAOYSA-N -1 0 327.203 3.964 20 0 EHADRM COc1cccc(C(=O)C(F)(F)F)c1Nc1csc(C(=O)[O-])c1 ZINC001176440177 1132929552 /nfs/dbraw/zinc/92/95/52/1132929552.db2.gz GAQBQSUSRBEDQE-UHFFFAOYSA-N -1 0 345.298 3.944 20 0 EHADRM COc1cccc(Nc2csc(C(=O)[O-])c2)c1C(=O)C(F)(F)F ZINC001176443496 1132930819 /nfs/dbraw/zinc/93/08/19/1132930819.db2.gz OCRCQZCBAAKKAS-UHFFFAOYSA-N -1 0 345.298 3.944 20 0 EHADRM COC(=O)c1ccc(-c2csc(C(=O)[O-])c2)c(C(F)(F)F)c1 ZINC001206273100 1132940950 /nfs/dbraw/zinc/94/09/50/1132940950.db2.gz WUKGHHDXOXBUBI-UHFFFAOYSA-N -1 0 330.283 3.919 20 0 EHADRM COc1cc(C)c(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cc1OC ZINC001176586110 1132960594 /nfs/dbraw/zinc/96/05/94/1132960594.db2.gz BVEGDFGMKHHXLR-UHFFFAOYSA-N -1 0 327.380 3.872 20 0 EHADRM Nc1c(F)c(F)c(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c(F)c1F ZINC001176588853 1132961424 /nfs/dbraw/zinc/96/14/24/1132961424.db2.gz QBDAVHPZZVNWBJ-UHFFFAOYSA-N -1 0 340.276 3.685 20 0 EHADRM COCCOc1cccc(F)c1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176588026 1132961510 /nfs/dbraw/zinc/96/15/10/1132961510.db2.gz GRMCKZRUYGLXKX-UHFFFAOYSA-N -1 0 345.370 3.711 20 0 EHADRM CC(=O)Oc1ccc(F)c(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1 ZINC001176588391 1132961900 /nfs/dbraw/zinc/96/19/00/1132961900.db2.gz LJYRGGCWKHDCLV-UHFFFAOYSA-N -1 0 329.327 3.611 20 0 EHADRM COC(=O)c1ccc(F)c(F)c1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176590132 1132962419 /nfs/dbraw/zinc/96/24/19/1132962419.db2.gz LOGRWYWGEFVEEX-UHFFFAOYSA-N -1 0 347.317 3.611 20 0 EHADRM COC(=O)c1cc(Cl)ccc1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176590125 1132962881 /nfs/dbraw/zinc/96/28/81/1132962881.db2.gz LMQPOPSUHIPBCZ-UHFFFAOYSA-N -1 0 345.782 3.986 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2ccnn2Cc2ccc(F)cc2)cc1 ZINC001176592015 1132963400 /nfs/dbraw/zinc/96/34/00/1132963400.db2.gz SYRIKSUQLGUQJC-BJMVGYQFSA-N -1 0 337.354 3.912 20 0 EHADRM COCCOc1ccc(F)cc1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176595092 1132963571 /nfs/dbraw/zinc/96/35/71/1132963571.db2.gz GEPLZCTZOUTTNG-RUDMXATFSA-N -1 0 331.343 3.692 20 0 EHADRM Cc1nc(Br)ccc1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176591963 1132963798 /nfs/dbraw/zinc/96/37/98/1132963798.db2.gz QRDUKPHRXIZRQZ-RUDMXATFSA-N -1 0 333.185 3.994 20 0 EHADRM COC(=O)c1c(F)cc(F)cc1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176596007 1132964666 /nfs/dbraw/zinc/96/46/66/1132964666.db2.gz UJDRVRNGCLHEBX-QPJJXVBHSA-N -1 0 333.290 3.593 20 0 EHADRM Cc1cc(S(=O)(=O)[O-])c(Nc2cc(O)cc(Cl)c2)cc1Cl ZINC001176625095 1132973313 /nfs/dbraw/zinc/97/33/13/1132973313.db2.gz YIUXSAFJLCZOCL-UHFFFAOYSA-N -1 0 348.207 3.998 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2ccc3c(c2)C(=O)N(C2CC2)C3)cc1 ZINC001176597775 1132976411 /nfs/dbraw/zinc/97/64/11/1132976411.db2.gz VLJQULAHUNOKPV-XCVCLJGOSA-N -1 0 334.375 3.646 20 0 EHADRM COc1ccc(-c2nnsc2Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001176710641 1132995350 /nfs/dbraw/zinc/99/53/50/1132995350.db2.gz VJDGROOJKONULB-UHFFFAOYSA-N -1 0 327.365 3.656 20 0 EHADRM CCC(CC)[C@@H](C)C(=O)[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC000767550742 1133017383 /nfs/dbraw/zinc/01/73/83/1133017383.db2.gz PIOCSGVNSPHGQQ-LLVKDONJSA-N -1 0 331.865 3.526 20 0 EHADRM CC(C)c1nsc(NC(=O)c2cccc(C(F)(F)F)c2[O-])n1 ZINC001177128425 1133030123 /nfs/dbraw/zinc/03/01/23/1133030123.db2.gz LSJQQCKWMBOYEV-UHFFFAOYSA-N -1 0 331.319 3.638 20 0 EHADRM Cc1oc2ccccc2c1C(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000767953640 1133071913 /nfs/dbraw/zinc/07/19/13/1133071913.db2.gz BHATVPOJUQJRQV-UHFFFAOYSA-N -1 0 349.795 3.513 20 0 EHADRM CC1(C)CO[C@@H](CCNC(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC001177763497 1133099910 /nfs/dbraw/zinc/09/99/10/1133099910.db2.gz KMJAQKZSURTDIT-JTQLQIEISA-N -1 0 332.227 3.634 20 0 EHADRM COc1ccc(F)cc1[N-]S(=O)(=O)c1cccc2c1CCCC2 ZINC000768283875 1133120876 /nfs/dbraw/zinc/12/08/76/1133120876.db2.gz WFCNLPCUGXCFJF-UHFFFAOYSA-N -1 0 335.400 3.514 20 0 EHADRM CC(C)c1cc([N-]S(=O)(=O)/C=C/c2cccc(Cl)c2)no1 ZINC000768863707 1133200119 /nfs/dbraw/zinc/20/01/19/1133200119.db2.gz YDQULJKJHKVMNC-VOTSOKGWSA-N -1 0 326.805 3.864 20 0 EHADRM O=C(NCc1ccon1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000769158725 1133236324 /nfs/dbraw/zinc/23/63/24/1133236324.db2.gz ALVPJSNURCSPQX-UHFFFAOYSA-N -1 0 328.755 3.631 20 0 EHADRM C[C@@H](CC(F)(F)F)C(=O)Nc1ccc(F)c(Br)c1[O-] ZINC001179864787 1133296143 /nfs/dbraw/zinc/29/61/43/1133296143.db2.gz JQFWUWOXQIEFDX-YFKPBYRVSA-N -1 0 344.102 3.821 20 0 EHADRM CC(C)(C)c1ccc(/C=C\C(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000769530151 1133309119 /nfs/dbraw/zinc/30/91/19/1133309119.db2.gz GYMHZWRHAGBQMM-CLOOOTJHSA-N -1 0 329.440 3.711 20 0 EHADRM CCn1nc(/C=C\c2ncc(/C=C\C(=O)[O-])s2)c2ccccc21 ZINC000769740474 1133340860 /nfs/dbraw/zinc/34/08/60/1133340860.db2.gz FPKDXFAKTQGOAU-NFIXMJHSSA-N -1 0 325.393 3.781 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccccc2-c2nccs2)CCCCC1 ZINC001180436632 1133369835 /nfs/dbraw/zinc/36/98/35/1133369835.db2.gz PAMBRDQSIIJYDJ-UHFFFAOYSA-N -1 0 330.409 3.784 20 0 EHADRM O=C(Nc1ccccc1OCC(F)F)c1c([O-])cccc1Cl ZINC000770007933 1133377143 /nfs/dbraw/zinc/37/71/43/1133377143.db2.gz AZHLZYUZZRHMMJ-UHFFFAOYSA-N -1 0 327.714 3.942 20 0 EHADRM C[C@H](NC(=O)c1ccc2ccccc2c1O)[C@H](O)c1ccc(F)cc1 ZINC000770039241 1133380768 /nfs/dbraw/zinc/38/07/68/1133380768.db2.gz RMDUPLAMEDTGLP-SGTLLEGYSA-N -1 0 339.366 3.536 20 0 EHADRM CC1CCN(c2ccc(NC(=O)c3c(O)cccc3O)cc2)CC1 ZINC000770408006 1133424105 /nfs/dbraw/zinc/42/41/05/1133424105.db2.gz CVZLBLJOEAIYJN-UHFFFAOYSA-N -1 0 326.396 3.586 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1cccnc1-n1cccn1 ZINC000770451417 1133432150 /nfs/dbraw/zinc/43/21/50/1133432150.db2.gz JSGXJHKHBBOMAZ-UHFFFAOYSA-N -1 0 349.177 3.532 20 0 EHADRM Cc1cccc(OCCCNC(=O)c2cc(F)c([O-])c(Cl)c2)c1 ZINC000770818123 1133471475 /nfs/dbraw/zinc/47/14/75/1133471475.db2.gz CDJLASCUFPFJBH-UHFFFAOYSA-N -1 0 337.778 3.692 20 0 EHADRM COc1ccc2cccc(CC(=O)Nc3ccc(F)c(O)c3)c2c1 ZINC001181237725 1133473195 /nfs/dbraw/zinc/47/31/95/1133473195.db2.gz DHGOPGSWMROBSK-UHFFFAOYSA-N -1 0 325.339 3.874 20 0 EHADRM COc1ccc(F)cc1CC(=O)Nc1ccc2[n-]c(=S)sc2c1 ZINC001181691463 1133510581 /nfs/dbraw/zinc/51/05/81/1133510581.db2.gz LIWMSXFNUGGIQQ-UHFFFAOYSA-N -1 0 348.424 3.914 20 0 EHADRM [O-]c1c(Cl)cccc1-c1nc(CCc2ccc3c(c2)CCO3)no1 ZINC000771412195 1133554525 /nfs/dbraw/zinc/55/45/25/1133554525.db2.gz AGYFGNJMEIHNBP-UHFFFAOYSA-N -1 0 342.782 3.816 20 0 EHADRM Cn1cc(/C=C\c2ncc(/C=C/C(=O)[O-])s2)c(-c2ccccc2)n1 ZINC000771523692 1133569916 /nfs/dbraw/zinc/56/99/16/1133569916.db2.gz DXPLQYJLBCMWQY-FKJILZIQSA-N -1 0 337.404 3.812 20 0 EHADRM Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000772345920 1133676625 /nfs/dbraw/zinc/67/66/25/1133676625.db2.gz QJPOSDXOQOPNAR-SNVBAGLBSA-N -1 0 335.762 3.921 20 0 EHADRM O=C(Cc1cnc2ccccn12)Nc1c(Cl)ccc([O-])c1Cl ZINC001182837054 1133738855 /nfs/dbraw/zinc/73/88/55/1133738855.db2.gz PMEVTVAEPYPLFE-UHFFFAOYSA-N -1 0 336.178 3.528 20 0 EHADRM Cc1ccc(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)c(C)n1 ZINC001203374173 1133746717 /nfs/dbraw/zinc/74/67/17/1133746717.db2.gz GIGYVUWRESFPEO-UHFFFAOYSA-N -1 0 328.393 3.842 20 0 EHADRM COc1ccc(CC2(NC(=O)Cc3ccc([S-])cc3)CCC2)cc1 ZINC001183189621 1133776846 /nfs/dbraw/zinc/77/68/46/1133776846.db2.gz LLPLMFUYHVDAON-UHFFFAOYSA-N -1 0 341.476 3.808 20 0 EHADRM O=C(NC[C@@H]1CCC[C@@H]1c1ccccc1)c1c([O-])cc(F)cc1F ZINC001183571939 1133827898 /nfs/dbraw/zinc/82/78/98/1133827898.db2.gz OCVVNEXMKNYGET-DZGCQCFKSA-N -1 0 331.362 3.984 20 0 EHADRM C/C(=C/C(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccc(F)cc1 ZINC000786620771 1133878830 /nfs/dbraw/zinc/87/88/30/1133878830.db2.gz MMYRKVCWLSUYSN-QBFSEMIESA-N -1 0 327.355 3.885 20 0 EHADRM C[C@@]1(CNC(=O)c2cc(F)cc(Cl)c2[O-])CCOC2(CCC2)C1 ZINC001184327653 1133928212 /nfs/dbraw/zinc/92/82/12/1133928212.db2.gz XIMXUXABILLGJA-MRXNPFEDSA-N -1 0 341.810 3.654 20 0 EHADRM O=S(=O)([N-]c1ncccc1-c1ccccc1)c1cccnc1Cl ZINC001184834980 1133995352 /nfs/dbraw/zinc/99/53/52/1133995352.db2.gz NQPXQAQTSRNSFW-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM CC1(CC(=O)Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)CCC1 ZINC001185103148 1134031858 /nfs/dbraw/zinc/03/18/58/1134031858.db2.gz FSAVXYNXIOOXDA-UHFFFAOYSA-N -1 0 333.409 3.605 20 0 EHADRM Cc1ccc2cccc([N-]S(=O)(=O)Cc3cc(F)cc(F)c3)c2n1 ZINC001185123350 1134038789 /nfs/dbraw/zinc/03/87/89/1134038789.db2.gz IKZCBKYDBGTATB-UHFFFAOYSA-N -1 0 348.374 3.763 20 0 EHADRM Cc1ccnc2c([N-]S(=O)(=O)Cc3cc(F)cc(F)c3)cccc12 ZINC001185134812 1134041136 /nfs/dbraw/zinc/04/11/36/1134041136.db2.gz FSAMTCDSGHPURW-UHFFFAOYSA-N -1 0 348.374 3.763 20 0 EHADRM O=S(=O)([N-]c1ccc(F)c(OC(F)(F)F)c1)c1ccsc1 ZINC001185384099 1134076012 /nfs/dbraw/zinc/07/60/12/1134076012.db2.gz OPYUUHSQCDRGAG-UHFFFAOYSA-N -1 0 341.307 3.587 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2ccsc2)cc(C(F)(F)F)c1 ZINC001185383171 1134076585 /nfs/dbraw/zinc/07/65/85/1134076585.db2.gz WQNYEXTYFIITPK-UHFFFAOYSA-N -1 0 337.344 3.576 20 0 EHADRM Cc1ccc(Br)c(C)c1[N-]S(=O)(=O)c1ccsc1 ZINC001185392238 1134078189 /nfs/dbraw/zinc/07/81/89/1134078189.db2.gz ZCGUYQGWGRATDG-UHFFFAOYSA-N -1 0 346.271 3.928 20 0 EHADRM O=C(Cn1c(Cc2ccccc2)nc2ccccc21)[N-]OC1CCCC1 ZINC000774870064 1134080153 /nfs/dbraw/zinc/08/01/53/1134080153.db2.gz VXFBWGUDZWQFPE-UHFFFAOYSA-N -1 0 349.434 3.618 20 0 EHADRM O=C(C=C([O-])c1ccccc1Cl)NCc1ccc2c(c1)CCC2 ZINC001185427365 1134083826 /nfs/dbraw/zinc/08/38/26/1134083826.db2.gz PGHUYBRTRSXJKK-UHFFFAOYSA-N -1 0 327.811 3.718 20 0 EHADRM COc1ncc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)cc1Cl ZINC001185497498 1134099070 /nfs/dbraw/zinc/09/90/70/1134099070.db2.gz XHCUESITKRXORD-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM Cc1ccc(NC(=O)N(CC(=O)[O-])Cc2ccc(F)cc2)c(C)c1 ZINC000788320691 1134113748 /nfs/dbraw/zinc/11/37/48/1134113748.db2.gz DOECTAMMYTWITO-UHFFFAOYSA-N -1 0 330.359 3.561 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2ccc(Cl)nc2)cc2ccccc21 ZINC001185686899 1134119969 /nfs/dbraw/zinc/11/99/69/1134119969.db2.gz HGOPZDIQPZZLKA-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM O=C(Nc1ccc(Br)c2c[nH]nc21)c1cccc([S-])c1 ZINC001186152500 1134176331 /nfs/dbraw/zinc/17/63/31/1134176331.db2.gz LJKKPIQXBWMHGA-UHFFFAOYSA-N -1 0 348.225 3.866 20 0 EHADRM O=S(=O)([N-]c1ccc(OC(F)(F)F)c(Cl)c1)c1ccco1 ZINC001186797985 1134258632 /nfs/dbraw/zinc/25/86/32/1134258632.db2.gz QWFZOWRVWRYYGT-UHFFFAOYSA-N -1 0 341.694 3.632 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cc1OC(F)(F)F)c1ccco1 ZINC001186857427 1134269460 /nfs/dbraw/zinc/26/94/60/1134269460.db2.gz PSEFLYYKJTVETF-UHFFFAOYSA-N -1 0 341.694 3.632 20 0 EHADRM C[C@H]1CC(C)(C)c2cccc(NC(=O)c3ccccc3-c3nn[nH]n3)c21 ZINC001187009658 1134281488 /nfs/dbraw/zinc/28/14/88/1134281488.db2.gz RURWQYDYNRSQKA-LBPRGKRZSA-N -1 0 347.422 3.904 20 0 EHADRM O=S(=O)([N-]c1cc(O)cc(Cl)c1)c1cc2c(s1)CCCC2 ZINC001187215505 1134316417 /nfs/dbraw/zinc/31/64/17/1134316417.db2.gz QAZJVSQBSADASR-UHFFFAOYSA-N -1 0 343.857 3.787 20 0 EHADRM Cc1oncc1S(=O)(=O)[N-]c1cccc(-c2ccc(F)cc2)c1 ZINC001187368561 1134327766 /nfs/dbraw/zinc/32/77/66/1134327766.db2.gz HLBCHLTWZAZEJN-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM Cc1cc(=O)c(COC(=O)c2sccc2-c2ccccc2)n[n-]1 ZINC000789776548 1134337889 /nfs/dbraw/zinc/33/78/89/1134337889.db2.gz XEQDKGOUDDVEOB-UHFFFAOYSA-N -1 0 326.377 3.576 20 0 EHADRM O=C([O-])c1cc(NCc2cc3ccccc3o2)cc2c1OCCO2 ZINC000789903274 1134348171 /nfs/dbraw/zinc/34/81/71/1134348171.db2.gz HAVHDZADFRKFQU-UHFFFAOYSA-N -1 0 325.320 3.514 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC/C(C)=C/c2ccccc2)c1OC ZINC000789901585 1134348224 /nfs/dbraw/zinc/34/82/24/1134348224.db2.gz BBXZZWPVRWVVKF-UKTHLTGXSA-N -1 0 327.380 3.917 20 0 EHADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1cccc2ccsc21 ZINC000789998791 1134357042 /nfs/dbraw/zinc/35/70/42/1134357042.db2.gz HUZSOVILCAQBTL-NSHDSACASA-N -1 0 344.358 3.543 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccccc2)cc1F)c1nccs1 ZINC001187899096 1134393996 /nfs/dbraw/zinc/39/39/96/1134393996.db2.gz GWSMNRZMRWYJES-UHFFFAOYSA-N -1 0 334.397 3.750 20 0 EHADRM CCCCCCOc1ccc([N-]S(=O)(=O)c2nccs2)cc1 ZINC001187890194 1134398741 /nfs/dbraw/zinc/39/87/41/1134398741.db2.gz DIUGPWJKCFHODF-UHFFFAOYSA-N -1 0 340.470 3.903 20 0 EHADRM O=S(=O)([N-]c1cccc(SC(F)(F)F)c1)c1nccs1 ZINC001187892214 1134399283 /nfs/dbraw/zinc/39/92/83/1134399283.db2.gz XUWNUAMRWHPKQT-UHFFFAOYSA-N -1 0 340.373 3.556 20 0 EHADRM O=S(=O)([N-]c1ccccc1OCc1ccccc1)c1nccs1 ZINC001187892111 1134399597 /nfs/dbraw/zinc/39/95/97/1134399597.db2.gz UBDRRUHWRJSJNV-UHFFFAOYSA-N -1 0 346.433 3.523 20 0 EHADRM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cn1 ZINC001187931842 1134401855 /nfs/dbraw/zinc/40/18/55/1134401855.db2.gz BXUDHWBDUDAPRI-UHFFFAOYSA-N -1 0 346.239 3.708 20 0 EHADRM O=S(=O)([N-]c1cccc2c1CCC2)c1cnc(Cl)c(Cl)c1 ZINC001188034926 1134420260 /nfs/dbraw/zinc/42/02/60/1134420260.db2.gz XYWKBYXLZHMPAN-UHFFFAOYSA-N -1 0 343.235 3.678 20 0 EHADRM Cc1cc(C2CC2)nc([N-]S(=O)(=O)/C=C\c2ccc(Cl)cc2)n1 ZINC000790642404 1134444779 /nfs/dbraw/zinc/44/47/79/1134444779.db2.gz LTMRSMMKSLQRLE-HJWRWDBZSA-N -1 0 349.843 3.728 20 0 EHADRM O=C([N-]c1c2nsnc2ccc1Cl)c1nc(Cl)cs1 ZINC000790931326 1134480086 /nfs/dbraw/zinc/48/00/86/1134480086.db2.gz GPYLMHSIPRSEAJ-UHFFFAOYSA-N -1 0 331.209 3.707 20 0 EHADRM O=S(=O)([N-]c1cc(-c2ccccc2)cc(Cl)n1)c1ccoc1 ZINC001188579502 1134483767 /nfs/dbraw/zinc/48/37/67/1134483767.db2.gz CUTMEAUGNWTTFY-UHFFFAOYSA-N -1 0 334.784 3.796 20 0 EHADRM CO[C@H]1CCOc2c(NC(=O)c3cccc(Cl)c3[O-])cccc21 ZINC000791092800 1134508085 /nfs/dbraw/zinc/50/80/85/1134508085.db2.gz MHULJNASHUHZPQ-AWEZNQCLSA-N -1 0 333.771 3.768 20 0 EHADRM O=C(OCc1ncc(-c2cccs2)o1)c1c(F)cc([O-])cc1F ZINC000746983969 1134514174 /nfs/dbraw/zinc/51/41/74/1134514174.db2.gz CKTQHAZMWCTJIO-UHFFFAOYSA-N -1 0 337.303 3.744 20 0 EHADRM O=S(=O)(CC1CC1)[N-]c1cc(-c2cccc(C(F)(F)F)c2)no1 ZINC001188930461 1134521856 /nfs/dbraw/zinc/52/18/56/1134521856.db2.gz KJGIRUAURRNKNT-UHFFFAOYSA-N -1 0 346.330 3.512 20 0 EHADRM O=S(=O)(Cc1ccc(F)c(F)c1)[N-]c1nc2ccccc2s1 ZINC001189265045 1134564599 /nfs/dbraw/zinc/56/45/99/1134564599.db2.gz ZQNITDRLYOJBDJ-UHFFFAOYSA-N -1 0 340.376 3.516 20 0 EHADRM CC(C)c1nccnc1[N-]S(=O)(=O)c1ccc(F)c2ccccc21 ZINC001189363466 1134581596 /nfs/dbraw/zinc/58/15/96/1134581596.db2.gz ISRKOTBGNKNPIR-UHFFFAOYSA-N -1 0 345.399 3.693 20 0 EHADRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000775296468 1134617450 /nfs/dbraw/zinc/61/74/50/1134617450.db2.gz GAIUAANGEWTLDS-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CC[C@@H](C)CCCCC(=O)[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000791964045 1134639226 /nfs/dbraw/zinc/63/92/26/1134639226.db2.gz WNUUXZYXADAWDL-CQSZACIVSA-N -1 0 348.468 3.646 20 0 EHADRM Cc1nc2cc(C(=O)Nc3ccc4[n-]c(=S)oc4c3)ccc2o1 ZINC000792228402 1134669793 /nfs/dbraw/zinc/66/97/93/1134669793.db2.gz BKWVPSZKGPDBRI-UHFFFAOYSA-N -1 0 325.349 3.818 20 0 EHADRM O=S(=O)([N-]c1cccs1)c1cc(C(F)(F)F)ccc1F ZINC001190295393 1134681974 /nfs/dbraw/zinc/68/19/74/1134681974.db2.gz DTCDWMLLRIEZQU-UHFFFAOYSA-N -1 0 325.308 3.707 20 0 EHADRM O=S(=O)([N-]c1nc2ccccc2s1)c1cc(F)cc(F)c1F ZINC001190348418 1134686893 /nfs/dbraw/zinc/68/68/93/1134686893.db2.gz SBVRQGLPBBYYKV-UHFFFAOYSA-N -1 0 344.339 3.514 20 0 EHADRM Cc1cc(Cl)cc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)c1 ZINC001190390368 1134689541 /nfs/dbraw/zinc/68/95/41/1134689541.db2.gz LVFMMUWEZXTWHP-UHFFFAOYSA-N -1 0 335.734 3.867 20 0 EHADRM CCn1ncc([N-]S(=O)(=O)c2ccc(C(C)(C)CC)cc2)c1C ZINC001190424249 1134698604 /nfs/dbraw/zinc/69/86/04/1134698604.db2.gz WMMBPICCYVKMNX-UHFFFAOYSA-N -1 0 335.473 3.700 20 0 EHADRM CCOc1ccc(C(=O)Nc2c(Cl)ccc([O-])c2Cl)nc1 ZINC001190789716 1134751585 /nfs/dbraw/zinc/75/15/85/1134751585.db2.gz GNSZGBYBSKZPIQ-UHFFFAOYSA-N -1 0 327.167 3.745 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1n[n-]c2ccccc2c1=O ZINC000792828091 1134797866 /nfs/dbraw/zinc/79/78/66/1134797866.db2.gz WNSJAMAOHQJHPY-CPUCHLNUSA-N -1 0 347.418 3.742 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cccc3c2C(=O)OC3)cc1 ZINC001191254593 1134824636 /nfs/dbraw/zinc/82/46/36/1134824636.db2.gz YDCPAFGKRBIWTI-UHFFFAOYSA-N -1 0 345.420 3.500 20 0 EHADRM C[C@@H]1CCC[C@H](CC(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000747100211 1134850111 /nfs/dbraw/zinc/85/01/11/1134850111.db2.gz CWNWOWRPXOGJPE-CABCVRRESA-N -1 0 345.464 3.861 20 0 EHADRM CC(C)COc1c(F)cccc1[N-]S(=O)(=O)CC1CCCC1 ZINC001191535863 1134881914 /nfs/dbraw/zinc/88/19/14/1134881914.db2.gz QFDGTDKROXNLRZ-UHFFFAOYSA-N -1 0 329.437 3.792 20 0 EHADRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ncccc1C1CC1 ZINC001191671239 1134897554 /nfs/dbraw/zinc/89/75/54/1134897554.db2.gz OWSBALAQMOVDTH-UHFFFAOYSA-N -1 0 346.452 3.892 20 0 EHADRM Cc1cncc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2Cl)c1 ZINC001191729587 1134906768 /nfs/dbraw/zinc/90/67/68/1134906768.db2.gz YXKZOPTYIXFZLK-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cccc2ocnc21 ZINC001191696819 1134908767 /nfs/dbraw/zinc/90/87/67/1134908767.db2.gz JBNBERYOAPVPCQ-UHFFFAOYSA-N -1 0 346.408 3.761 20 0 EHADRM Cc1c(Cl)ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CC2)c1Cl ZINC001191773990 1134912820 /nfs/dbraw/zinc/91/28/20/1134912820.db2.gz CJMZPDVWAKOWNG-UHFFFAOYSA-N -1 0 348.173 3.675 20 0 EHADRM CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000747130804 1134948856 /nfs/dbraw/zinc/94/88/56/1134948856.db2.gz JUSUFKIWAWFAAI-LBPRGKRZSA-N -1 0 331.865 3.670 20 0 EHADRM Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3ncncc3C)cc2)cc1 ZINC001192066245 1134963589 /nfs/dbraw/zinc/96/35/89/1134963589.db2.gz ZVSLSWXAXIRNHS-UHFFFAOYSA-N -1 0 339.420 3.561 20 0 EHADRM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1ccccc1C(F)F ZINC001192352121 1135004484 /nfs/dbraw/zinc/00/44/84/1135004484.db2.gz SKSXGXUUXZUAMC-UHFFFAOYSA-N -1 0 332.759 3.782 20 0 EHADRM COCc1cc(NC(=O)/C=C\c2ccccc2Cl)cc(C(=O)[O-])c1 ZINC000794003168 1135012616 /nfs/dbraw/zinc/01/26/16/1135012616.db2.gz PSRTYDUFKHTIAH-SREVYHEPSA-N -1 0 345.782 3.837 20 0 EHADRM Cc1ccc(NC(=O)c2c(F)ccc(F)c2[O-])cc1OC(F)F ZINC001192715883 1135050977 /nfs/dbraw/zinc/05/09/77/1135050977.db2.gz APLOXMVFILIBNE-UHFFFAOYSA-N -1 0 329.249 3.833 20 0 EHADRM O=C(c1ccc(F)c(F)c1[O-])N1CCc2c3ccccc3oc2C1 ZINC001192806969 1135057271 /nfs/dbraw/zinc/05/72/71/1135057271.db2.gz OFJMSDMEDAPJOH-UHFFFAOYSA-N -1 0 329.302 3.615 20 0 EHADRM CC(C)(CNC(=O)c1ccc(F)c(F)c1[O-])c1c[nH]c2ccccc21 ZINC001192818910 1135059094 /nfs/dbraw/zinc/05/90/94/1135059094.db2.gz SUASXBVCTCOVSX-UHFFFAOYSA-N -1 0 344.361 3.859 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)N=NC3)c1 ZINC001192817659 1135059545 /nfs/dbraw/zinc/05/95/45/1135059545.db2.gz GLNALOFZKLGGJN-UHFFFAOYSA-N -1 0 331.397 3.656 20 0 EHADRM CNc1ccc(C(F)(F)F)cc1NC(=O)c1cc(F)c([O-])cc1F ZINC001192872970 1135062130 /nfs/dbraw/zinc/06/21/30/1135062130.db2.gz WSWBRQNDDSKMMF-UHFFFAOYSA-N -1 0 346.255 3.983 20 0 EHADRM COc1ccc([C@H](NC(=O)c2ccc([O-])c(F)c2F)C2CC2)cc1 ZINC001192842881 1135063635 /nfs/dbraw/zinc/06/36/35/1135063635.db2.gz OGLPGFFXDULDRD-QGZVFWFLSA-N -1 0 333.334 3.560 20 0 EHADRM CC1(C)CC(=O)Nc2c(NC(=O)c3ccc([O-])c(F)c3F)cccc21 ZINC001192840772 1135063708 /nfs/dbraw/zinc/06/37/08/1135063708.db2.gz ASHIBOSEAQQBMY-UHFFFAOYSA-N -1 0 346.333 3.543 20 0 EHADRM Cc1cn(-c2ccc(NC(=O)c3ccc([O-])c(F)c3F)cc2F)cn1 ZINC001192840921 1135063892 /nfs/dbraw/zinc/06/38/92/1135063892.db2.gz DRXBMQWVWIXPLC-UHFFFAOYSA-N -1 0 347.296 3.556 20 0 EHADRM CC[C@@H](NC(=O)c1cc(F)c([O-])cc1F)c1ccc(F)c(F)c1 ZINC001192887981 1135068431 /nfs/dbraw/zinc/06/84/31/1135068431.db2.gz RQRUJHCHICEHLS-CQSZACIVSA-N -1 0 327.277 3.830 20 0 EHADRM CN(C(=O)c1cc(Cl)nc(Cl)c1[O-])[C@H]1CCc2ccccc21 ZINC001193091601 1135105331 /nfs/dbraw/zinc/10/53/31/1135105331.db2.gz WWQZRZPIJZQECP-LBPRGKRZSA-N -1 0 337.206 3.854 20 0 EHADRM O=C(c1ccc(F)c([O-])c1F)N1CCc2c3ccccc3oc2C1 ZINC001193784604 1135180566 /nfs/dbraw/zinc/18/05/66/1135180566.db2.gz OYARJJXLWGDCAB-UHFFFAOYSA-N -1 0 329.302 3.615 20 0 EHADRM CCC[C@H](C(=O)c1ccccc1)N(C)C(=O)c1ccc(F)c([O-])c1F ZINC001193784220 1135180635 /nfs/dbraw/zinc/18/06/35/1135180635.db2.gz KFCCBOZUDGCRIQ-OAHLLOKOSA-N -1 0 347.361 3.794 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2ccc(C)c3ccccc32)ncc1C ZINC001193842689 1135185602 /nfs/dbraw/zinc/18/56/02/1135185602.db2.gz NUJSOZZHADSMIP-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM COc1cncc([N-]S(=O)(=O)c2ccc(C)c3ccccc32)c1C ZINC001193832993 1135191023 /nfs/dbraw/zinc/19/10/23/1135191023.db2.gz HPNZMSLDHJABSY-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2cccc3c2CCO3)c2ccccc12 ZINC001193863840 1135197874 /nfs/dbraw/zinc/19/78/74/1135197874.db2.gz KIPABHQIZPZDEU-UHFFFAOYSA-N -1 0 339.416 3.884 20 0 EHADRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)Cc2noc3ccccc32)on1 ZINC001194050082 1135221016 /nfs/dbraw/zinc/22/10/16/1135221016.db2.gz RXUWWFCCYHBKRZ-LLVKDONJSA-N -1 0 349.412 3.661 20 0 EHADRM COCCCO[N-]C(=O)[C@H](C)Sc1cc(Cl)ccc1Cl ZINC000805038627 1135227951 /nfs/dbraw/zinc/22/79/51/1135227951.db2.gz AWYNFFSMOGLPRV-VIFPVBQESA-N -1 0 338.256 3.558 20 0 EHADRM COc1cncc([N-]S(=O)(=O)c2ccc3c(Cl)cccc3c2)c1 ZINC001194217401 1135246247 /nfs/dbraw/zinc/24/62/47/1135246247.db2.gz PCOLGDSLRAHUQY-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM Cc1ccc(OC(=O)Nc2ccc(Cl)cc2S(=O)(=O)[O-])cc1 ZINC001194463120 1135271200 /nfs/dbraw/zinc/27/12/00/1135271200.db2.gz UAKCDLRRMOHCEZ-UHFFFAOYSA-N -1 0 341.772 3.506 20 0 EHADRM CSc1ccc(OCCOC(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000805481134 1135276544 /nfs/dbraw/zinc/27/65/44/1135276544.db2.gz JAEFTCSIQSPQJV-UHFFFAOYSA-N -1 0 340.347 3.628 20 0 EHADRM Cc1cccc2ccc([N-]S(=O)(=O)c3c(C)cccc3C)nc12 ZINC001194604832 1135291168 /nfs/dbraw/zinc/29/11/68/1135291168.db2.gz IISCLZCJOMADGN-UHFFFAOYSA-N -1 0 326.421 3.961 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2c(C)cccc2C)n(-c2ccccc2)n1 ZINC001194602659 1135291599 /nfs/dbraw/zinc/29/15/99/1135291599.db2.gz JHCPASWRITUIIA-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1snnc1-c1ccccc1 ZINC001194604728 1135291687 /nfs/dbraw/zinc/29/16/87/1135291687.db2.gz IHNNURPUGHKKQN-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1 ZINC001194605162 1135292642 /nfs/dbraw/zinc/29/26/42/1135292642.db2.gz LZCMMFSQTABYHB-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccccc1OC(F)F ZINC001194634727 1135294065 /nfs/dbraw/zinc/29/40/65/1135294065.db2.gz YIGUMUVODVSKKC-UHFFFAOYSA-N -1 0 327.352 3.706 20 0 EHADRM COc1ncccc1S(=O)(=O)[N-]c1cc(C)c(Cl)c(Cl)c1 ZINC001194727735 1135313048 /nfs/dbraw/zinc/31/30/48/1135313048.db2.gz YDDVPBKBSXBHEX-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CCc1ccc(C)nc1[N-]S(=O)(=O)c1c(C)cc(OC)c(C)c1C ZINC001194836258 1135328614 /nfs/dbraw/zinc/32/86/14/1135328614.db2.gz WBNHYGZJGCWKRL-UHFFFAOYSA-N -1 0 348.468 3.687 20 0 EHADRM COc1cc(C)c(S(=O)(=O)Nc2ccc([S-])cc2)c(C)c1C ZINC001194863961 1135330832 /nfs/dbraw/zinc/33/08/32/1135330832.db2.gz KQPSSMZNUPLTMO-UHFFFAOYSA-N -1 0 337.466 3.710 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2cccc3ocnc32)c(C)c1C ZINC001194863958 1135330932 /nfs/dbraw/zinc/33/09/32/1135330932.db2.gz KNFXSVQCMWITAC-UHFFFAOYSA-N -1 0 346.408 3.562 20 0 EHADRM CCOC(=O)CCc1cccc(Nc2ccc(C(=O)[O-])cc2F)c1 ZINC001203299644 1135366649 /nfs/dbraw/zinc/36/66/49/1135366649.db2.gz RYGVLVOQUXMSKE-UHFFFAOYSA-N -1 0 331.343 3.763 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2ncccc2N2CCCC2)c1 ZINC001195120616 1135372414 /nfs/dbraw/zinc/37/24/14/1135372414.db2.gz LLKYDKLBHBZBJJ-UHFFFAOYSA-N -1 0 345.468 3.606 20 0 EHADRM CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cccc(Cl)c1[O-] ZINC000775646908 1135399473 /nfs/dbraw/zinc/39/94/73/1135399473.db2.gz LTTYOMNWUBLPGR-UHFFFAOYSA-N -1 0 341.798 3.504 20 0 EHADRM O=C(Nc1ccc2c(c1)N=NC2)c1c([O-])c(F)c(F)c(F)c1F ZINC001195303578 1135409773 /nfs/dbraw/zinc/40/97/73/1135409773.db2.gz ZGHLXPDWUXWFRU-UHFFFAOYSA-N -1 0 325.221 3.798 20 0 EHADRM Cc1cc2ccc(NC(=O)c3c([O-])c(F)c(F)c(F)c3F)cc2[nH]1 ZINC001195302950 1135410154 /nfs/dbraw/zinc/41/01/54/1135410154.db2.gz PWZYIBBKEOSESM-UHFFFAOYSA-N -1 0 338.260 3.991 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cccc2c1ccn2C ZINC001195308024 1135410746 /nfs/dbraw/zinc/41/07/46/1135410746.db2.gz CBJVAIDGXVMGAX-UHFFFAOYSA-N -1 0 334.828 3.941 20 0 EHADRM CCOc1cccc([N-]S(=O)(=O)c2c(C)cccc2Cl)c1 ZINC001195309129 1135411234 /nfs/dbraw/zinc/41/12/34/1135411234.db2.gz HZIVECAISJYYIL-UHFFFAOYSA-N -1 0 325.817 3.848 20 0 EHADRM Cc1ccccc1C(C)(C)NC(=O)c1c([O-])c(F)c(F)c(F)c1F ZINC001195312021 1135411824 /nfs/dbraw/zinc/41/18/24/1135411824.db2.gz NBIHPKHGIOXMMT-UHFFFAOYSA-N -1 0 341.304 3.922 20 0 EHADRM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2c[nH]c3ccccc23)c1 ZINC001195311593 1135411897 /nfs/dbraw/zinc/41/18/97/1135411897.db2.gz XQFQSTMIOINLII-UHFFFAOYSA-N -1 0 337.404 3.825 20 0 EHADRM O=C(N[C@H](c1ccccc1)c1ccccn1)c1cccc(Cl)c1[O-] ZINC000775650039 1135417007 /nfs/dbraw/zinc/41/70/07/1135417007.db2.gz OELYCUKJRCLFKR-QGZVFWFLSA-N -1 0 338.794 3.960 20 0 EHADRM CC(C)C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2[O-])c1 ZINC000775655109 1135420793 /nfs/dbraw/zinc/42/07/93/1135420793.db2.gz VGCVIKFTWCXJLM-UHFFFAOYSA-N -1 0 332.787 3.892 20 0 EHADRM CC1(C)CCN(S(=O)(=O)c2ccccc2[O-])C[C@@H]1c1ccccc1 ZINC001195417904 1135421041 /nfs/dbraw/zinc/42/10/41/1135421041.db2.gz KPIIYCNYMWOZMQ-MRXNPFEDSA-N -1 0 345.464 3.597 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1c[nH]nc1[C@@H]1CCCO1 ZINC000867137846 1135481875 /nfs/dbraw/zinc/48/18/75/1135481875.db2.gz KSEAPIOISCMNKV-NSHDSACASA-N -1 0 342.182 3.526 20 0 EHADRM CC1(C)C[C@@H](NC(=O)c2cccc(F)c2[O-])c2cc(F)ccc2O1 ZINC001130748685 1135492481 /nfs/dbraw/zinc/49/24/81/1135492481.db2.gz WHVMGRCYRKQTHO-CQSZACIVSA-N -1 0 333.334 3.703 20 0 EHADRM O=c1cc(NC(=S)Nc2ccc(C(F)(F)F)cc2)nc(Cl)[n-]1 ZINC001196161301 1135525901 /nfs/dbraw/zinc/52/59/01/1135525901.db2.gz IAKIIPZLUYKEQN-UHFFFAOYSA-N -1 0 348.737 3.663 20 0 EHADRM O=S(=O)([N-]c1ncccc1-c1ccccc1)c1ccc(Cl)cn1 ZINC001196204549 1135530535 /nfs/dbraw/zinc/53/05/35/1135530535.db2.gz XLNNZIBYOVSRAM-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccccc2)cn1)c1ccc(Cl)cn1 ZINC001196203238 1135530998 /nfs/dbraw/zinc/53/09/98/1135530998.db2.gz ZTIWXPRKCZBEEJ-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(Cl)c(F)cc2[O-])[C@@H](c2ccccc2)CO1 ZINC001196466389 1135564148 /nfs/dbraw/zinc/56/41/48/1135564148.db2.gz HZBZHOUEAXHDCT-MEDUHNTESA-N -1 0 349.789 3.787 20 0 EHADRM COc1ccc([C@H](C)NC(=O)c2cccc(Cl)c2[O-])c(C)c1OC ZINC000807858368 1135577905 /nfs/dbraw/zinc/57/79/05/1135577905.db2.gz QYPGKAOTMAXTOL-NSHDSACASA-N -1 0 349.814 3.862 20 0 EHADRM COc1ccc(F)c(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2)c1 ZINC001196760290 1135602862 /nfs/dbraw/zinc/60/28/62/1135602862.db2.gz FGOFKFVPVCOPCJ-UHFFFAOYSA-N -1 0 347.367 3.895 20 0 EHADRM CCCc1ccccc1[N-]S(=O)(=O)c1c(C)cccc1C(=O)OC ZINC001197037717 1135643944 /nfs/dbraw/zinc/64/39/44/1135643944.db2.gz XQBYIPFQBRGWFH-UHFFFAOYSA-N -1 0 347.436 3.535 20 0 EHADRM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1cc(C)c(C)c(C)c1 ZINC001197037118 1135644048 /nfs/dbraw/zinc/64/40/48/1135644048.db2.gz RMMXTLFRIKRIDW-UHFFFAOYSA-N -1 0 347.436 3.508 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2cnccc2C(F)(F)F)cc1 ZINC001197075889 1135647409 /nfs/dbraw/zinc/64/74/09/1135647409.db2.gz ZHWHDJLCYPBPSZ-UHFFFAOYSA-N -1 0 341.314 3.608 20 0 EHADRM C[C@H]1C[C@H](NC(=S)Nc2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC001197132443 1135648295 /nfs/dbraw/zinc/64/82/95/1135648295.db2.gz WPEAWBMLVSTYJL-ZBEGNZNMSA-N -1 0 326.421 3.920 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2cc(F)cc(F)c2F)cc1 ZINC001197113596 1135651288 /nfs/dbraw/zinc/65/12/88/1135651288.db2.gz VBOCUCBXLHMIGL-UHFFFAOYSA-N -1 0 326.299 3.611 20 0 EHADRM CCC(=O)c1ccccc1NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197119533 1135652222 /nfs/dbraw/zinc/65/22/22/1135652222.db2.gz MHURWHQYZAUNMX-UHFFFAOYSA-N -1 0 328.393 3.786 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NCc2ccc3occc3c2)cc1 ZINC001197127130 1135652674 /nfs/dbraw/zinc/65/26/74/1135652674.db2.gz MQCZXRGEULBPML-UHFFFAOYSA-N -1 0 326.377 3.618 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N[C@H]2CCc3c2c(F)ccc3F)cc1 ZINC001197148418 1135654204 /nfs/dbraw/zinc/65/42/04/1135654204.db2.gz WTDCMFWZWPPYGS-AWEZNQCLSA-N -1 0 348.374 3.637 20 0 EHADRM O=C(Nc1ccc(OCC(F)F)cc1)c1cccc(Cl)c1[O-] ZINC000775768778 1135678289 /nfs/dbraw/zinc/67/82/89/1135678289.db2.gz AUWZCQZDNIICQL-UHFFFAOYSA-N -1 0 327.714 3.942 20 0 EHADRM CC[C@@H](C)NC(=O)c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC001197384433 1135682593 /nfs/dbraw/zinc/68/25/93/1135682593.db2.gz NJIVSMICRZZNPI-MRVPVSSYSA-N -1 0 343.267 3.527 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCC2(CC1)OCc1ccccc12 ZINC000775771662 1135683205 /nfs/dbraw/zinc/68/32/05/1135683205.db2.gz AEPISPFIOXNTEF-UHFFFAOYSA-N -1 0 343.810 3.707 20 0 EHADRM Cc1c[nH]c(-c2ccccc2NC(=O)c2cccc(Cl)c2[O-])n1 ZINC000775780907 1135722473 /nfs/dbraw/zinc/72/24/73/1135722473.db2.gz SUTBUCYUAKCQRB-UHFFFAOYSA-N -1 0 327.771 3.996 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2Cl)c1 ZINC001198005469 1135760676 /nfs/dbraw/zinc/76/06/76/1135760676.db2.gz JLAWRJKEVRBBFM-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CC(C)CN(C)C(=O)N(C)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000797429573 1135765400 /nfs/dbraw/zinc/76/54/00/1135765400.db2.gz XCBBHJPHHUBJSZ-CYBMUJFWSA-N -1 0 347.242 3.759 20 0 EHADRM O=S(=O)([N-]c1cccc(O)c1)c1ccccc1Oc1ccccc1 ZINC001198433147 1135815001 /nfs/dbraw/zinc/81/50/01/1135815001.db2.gz XRMJWOFRZWONOE-UHFFFAOYSA-N -1 0 341.388 3.985 20 0 EHADRM O=S(=O)([N-]c1cnsc1)c1ccccc1Oc1ccccc1 ZINC001198447716 1135821516 /nfs/dbraw/zinc/82/15/16/1135821516.db2.gz REQQRYPHLDLVCF-UHFFFAOYSA-N -1 0 332.406 3.736 20 0 EHADRM O=S(=O)(Nc1cccc2c1CCCO2)c1ccc2occc2c1 ZINC001198870357 1135864307 /nfs/dbraw/zinc/86/43/07/1135864307.db2.gz OHPUNYAQHPGVTP-UHFFFAOYSA-N -1 0 329.377 3.559 20 0 EHADRM CC1(c2ccc(NS(=O)(=O)c3ccc4occc4c3)cc2)COC1 ZINC001198871199 1135864340 /nfs/dbraw/zinc/86/43/40/1135864340.db2.gz ZKLRJLYUYMVCSR-UHFFFAOYSA-N -1 0 343.404 3.522 20 0 EHADRM O=C(c1ccc(NS(=O)(=O)c2ccc3occc3c2)cc1)C1CC1 ZINC001198871113 1135864740 /nfs/dbraw/zinc/86/47/40/1135864740.db2.gz XDWLXKYYBZHKPR-UHFFFAOYSA-N -1 0 341.388 3.826 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)n2)c(C)c1 ZINC001198905385 1135868750 /nfs/dbraw/zinc/86/87/50/1135868750.db2.gz YNHBOZNAYWHBMH-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM Cc1ncc(Br)cc1Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203318096 1135870209 /nfs/dbraw/zinc/87/02/09/1135870209.db2.gz AWXHHSSCIFCBDS-UHFFFAOYSA-N -1 0 343.127 3.873 20 0 EHADRM CC(C)n1cc(C(=O)Nc2c(Cl)ccc([O-])c2Cl)ccc1=O ZINC001199513881 1135910460 /nfs/dbraw/zinc/91/04/60/1135910460.db2.gz VDHKXBHDRWONOQ-UHFFFAOYSA-N -1 0 341.194 3.694 20 0 EHADRM CC(C)(C)CCC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000121541134 1135916133 /nfs/dbraw/zinc/91/61/33/1135916133.db2.gz QKTJGWISSYRGSE-UHFFFAOYSA-N -1 0 338.256 3.625 20 0 EHADRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@@H](C)CCCc1ccccc1 ZINC000776088172 1135951629 /nfs/dbraw/zinc/95/16/29/1135951629.db2.gz FMQFYSZUJYHQTO-CVEARBPZSA-N -1 0 339.501 3.528 20 0 EHADRM Cc1c(C)c(C)c(S(=O)(=O)Nc2cccn3nccc23)c(C)c1C ZINC001201795593 1136063212 /nfs/dbraw/zinc/06/32/12/1136063212.db2.gz RCIJGVXAGHZNMU-UHFFFAOYSA-N -1 0 343.452 3.677 20 0 EHADRM Cc1cc(S(=O)(=O)[O-])c(NC(=O)Nc2ccccc2)cc1Cl ZINC001201955861 1136078385 /nfs/dbraw/zinc/07/83/85/1136078385.db2.gz QBNGDCSDLBWJCH-UHFFFAOYSA-N -1 0 340.788 3.539 20 0 EHADRM Cc1c(=O)[n-]n(-c2ccccc2)c1NC(=O)Nc1ccc(F)cc1F ZINC001202029373 1136083344 /nfs/dbraw/zinc/08/33/44/1136083344.db2.gz IJPCKZLWWNLXQH-UHFFFAOYSA-N -1 0 344.321 3.809 20 0 EHADRM CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cccc(Cl)c2[O-])cc1 ZINC000776231096 1136083986 /nfs/dbraw/zinc/08/39/86/1136083986.db2.gz LIKSCRQKSXIADB-LLVKDONJSA-N -1 0 346.814 3.826 20 0 EHADRM Cc1cccc(NC(=O)Nc2cc(S(=O)(=O)[O-])ccc2Cl)c1 ZINC001202317666 1136128314 /nfs/dbraw/zinc/12/83/14/1136128314.db2.gz NVVMVEXWLSZWCA-UHFFFAOYSA-N -1 0 340.788 3.539 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccccn2)cc1)c1cccnc1Cl ZINC000811839217 1136144102 /nfs/dbraw/zinc/14/41/02/1136144102.db2.gz STFIURBNXAQUPQ-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM COc1ccccc1C(C)(C)NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811818517 1136145150 /nfs/dbraw/zinc/14/51/50/1136145150.db2.gz PNJJWGUGLZXQOD-UHFFFAOYSA-N -1 0 347.798 3.712 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N[C@H](C2CCCC2)C(F)(F)F)c1 ZINC000811823588 1136145990 /nfs/dbraw/zinc/14/59/90/1136145990.db2.gz VXMJFYHBYBYYCF-GFCCVEGCSA-N -1 0 349.736 3.889 20 0 EHADRM O=C(Cc1csc(-c2ccc(Cl)s2)n1)[N-]OC/C=C\Cl ZINC000812403805 1136202101 /nfs/dbraw/zinc/20/21/01/1136202101.db2.gz WNZUJQGAXFHIIK-RJRFIUFISA-N -1 0 349.264 3.868 20 0 EHADRM CON(Cc1ccccc1Cl)C(=O)c1c([O-])cc(F)cc1F ZINC000812429200 1136207089 /nfs/dbraw/zinc/20/70/89/1136207089.db2.gz VWFAAEDRPUPIPJ-UHFFFAOYSA-N -1 0 327.714 3.528 20 0 EHADRM CC(C)OCCO[N-]C(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000812809867 1136248144 /nfs/dbraw/zinc/24/81/44/1136248144.db2.gz MBXXFZNSPUSEOL-UHFFFAOYSA-N -1 0 346.254 3.888 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@]2(C)CC=C(C)CC2)c1Cl ZINC000850927904 1136319218 /nfs/dbraw/zinc/31/92/18/1136319218.db2.gz LPMOGRBZZZITBL-INIZCTEOSA-N -1 0 341.860 3.590 20 0 EHADRM C[C@@H](CCC(C)(C)C)C(=O)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000851248003 1136357591 /nfs/dbraw/zinc/35/75/91/1136357591.db2.gz LYBBKIVDIDKXRA-LBPRGKRZSA-N -1 0 337.441 3.700 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC000814019634 1136386912 /nfs/dbraw/zinc/38/69/12/1136386912.db2.gz FWDXWRUVNRYYPB-GRDNDAEWSA-N -1 0 337.485 3.656 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CC1(C)CCCCC1 ZINC000814020098 1136387274 /nfs/dbraw/zinc/38/72/74/1136387274.db2.gz IYVISUNFZPEZJD-MRXNPFEDSA-N -1 0 337.485 3.944 20 0 EHADRM Cc1ccccc1C1(C(=O)NCCCCCCCC(=O)[O-])CCC1 ZINC000851600748 1136395889 /nfs/dbraw/zinc/39/58/89/1136395889.db2.gz LPZVCPUWRRKVRL-UHFFFAOYSA-N -1 0 331.456 3.958 20 0 EHADRM CC(C)c1cccc2c1CCN(C(=O)c1ccc(/C=C\C(=O)[O-])o1)C2 ZINC000851604947 1136396321 /nfs/dbraw/zinc/39/63/21/1136396321.db2.gz GMZTXCFPEIGXEW-CLFYSBASSA-N -1 0 339.391 3.699 20 0 EHADRM C[C@H]1N(C(=O)c2ccc(/C=C/C(=O)[O-])o2)c2ccccc2C1(C)C ZINC000851621432 1136396943 /nfs/dbraw/zinc/39/69/43/1136396943.db2.gz SRYUWQSWVQJJFF-LMMOQWNQSA-N -1 0 325.364 3.704 20 0 EHADRM CCCn1ccc2ccc(NC(=O)C3CCC(C(=O)[O-])CC3)cc21 ZINC000851694180 1136400034 /nfs/dbraw/zinc/40/00/34/1136400034.db2.gz YBSJLUKQCINLAU-UHFFFAOYSA-N -1 0 328.412 3.881 20 0 EHADRM CC[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1cc(C)oc1C ZINC000776567941 1136437822 /nfs/dbraw/zinc/43/78/22/1136437822.db2.gz YTZYXGKRFSRMHG-HNNXBMFYSA-N -1 0 341.473 3.698 20 0 EHADRM CCCCC[C@H](NC(=O)CCc1ccc(-c2ccccc2)[nH]1)C(=O)[O-] ZINC000776660836 1136530132 /nfs/dbraw/zinc/53/01/32/1136530132.db2.gz BRXTVHVGJAHJKM-SFHVURJKSA-N -1 0 342.439 3.764 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1)C1CCCCC1 ZINC000112159137 1136608639 /nfs/dbraw/zinc/60/86/39/1136608639.db2.gz JOAGPYBSFGKWCQ-UHFFFAOYSA-N -1 0 343.448 3.739 20 0 EHADRM COc1ccc(CN(C)C(=O)c2cc(F)cc(Cl)c2[O-])cc1F ZINC000748007574 1136609260 /nfs/dbraw/zinc/60/92/60/1136609260.db2.gz ADPNIUMJUWXQMD-UHFFFAOYSA-N -1 0 341.741 3.605 20 0 EHADRM C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000854780447 1136643148 /nfs/dbraw/zinc/64/31/48/1136643148.db2.gz QQBZVMMOIHDIPV-PSASIEDQSA-N -1 0 344.358 3.920 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)C(C)(C)C(C)(C)C)c1Cl ZINC000816007006 1136658566 /nfs/dbraw/zinc/65/85/66/1136658566.db2.gz UWHAYKSRHSJYIA-UHFFFAOYSA-N -1 0 331.865 3.526 20 0 EHADRM CC(C)c1cccc(NC(=O)c2ncc(Br)cc2[O-])c1 ZINC001135327580 1136663548 /nfs/dbraw/zinc/66/35/48/1136663548.db2.gz KEMYFELQVYPIEV-UHFFFAOYSA-N -1 0 335.201 3.925 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H]1CCC(C)(C)C1 ZINC000816112384 1136678151 /nfs/dbraw/zinc/67/81/51/1136678151.db2.gz STRHMRAFWAMOOZ-JKSUJKDBSA-N -1 0 337.485 3.656 20 0 EHADRM Cc1cccc(C)c1[C@H]1CCCN1C(=O)c1n[n-]c2ccccc2c1=O ZINC000855214819 1136678675 /nfs/dbraw/zinc/67/86/75/1136678675.db2.gz PXSNWHLFGVWHQJ-QGZVFWFLSA-N -1 0 347.418 3.930 20 0 EHADRM O=C(Nc1ccc2c(c1)[C@@H](O)CCCC2)c1cc(F)c([O-])c(F)c1 ZINC000855549300 1136705136 /nfs/dbraw/zinc/70/51/36/1136705136.db2.gz AQMSCTGYAWOYJH-INIZCTEOSA-N -1 0 333.334 3.683 20 0 EHADRM CCS[C@H]1CCCCN(C(=O)c2ccc3oc(=S)[n-]c3c2)C1 ZINC000816923339 1136763889 /nfs/dbraw/zinc/76/38/89/1136763889.db2.gz FLLALIVFIVBXLE-LBPRGKRZSA-N -1 0 336.482 3.864 20 0 EHADRM CCc1ccc([C@@H]2CCN(C(=O)c3n[n-]c4ccccc4c3=O)C2)cc1 ZINC000817101225 1136776307 /nfs/dbraw/zinc/77/63/07/1136776307.db2.gz FTQGUWYXBMURED-MRXNPFEDSA-N -1 0 347.418 3.528 20 0 EHADRM CCOc1ccc(C(C)(C)C(=O)[N-]OCC2CCC2)cc1OCC ZINC000856349280 1136779322 /nfs/dbraw/zinc/77/93/22/1136779322.db2.gz BABQHLRSSLRIRW-UHFFFAOYSA-N -1 0 335.444 3.610 20 0 EHADRM CCC(CC)(CC(=O)Nc1ccccc1Br)C(=O)[O-] ZINC000011260304 1136814567 /nfs/dbraw/zinc/81/45/67/1136814567.db2.gz FRPUPCCPITZNNQ-UHFFFAOYSA-N -1 0 328.206 3.669 20 0 EHADRM CSC(C)(C)C(=O)N1CCC([C@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000856929809 1136825081 /nfs/dbraw/zinc/82/50/81/1136825081.db2.gz YHYYDPIGMNBUES-MRXNPFEDSA-N -1 0 349.496 3.625 20 0 EHADRM CCCC[C@H](C(=O)[N-]S(=O)(=O)c1cc2ccccc2o1)C(C)C ZINC000857036573 1136835487 /nfs/dbraw/zinc/83/54/87/1136835487.db2.gz KOIAQCUBOSOWAR-AWEZNQCLSA-N -1 0 337.441 3.700 20 0 EHADRM O=S(=O)([O-])c1cccc(N[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC001170883818 1136848994 /nfs/dbraw/zinc/84/89/94/1136848994.db2.gz QSWMAORUDUVBOM-ZDUSSCGKSA-N -1 0 331.315 3.649 20 0 EHADRM CCN(C(=O)c1ccc2oc(=S)[n-]c2c1)c1ccc(OC)cc1 ZINC001136170291 1136893075 /nfs/dbraw/zinc/89/30/75/1136893075.db2.gz URDKZEYIUVLHSV-UHFFFAOYSA-N -1 0 328.393 3.792 20 0 EHADRM CC[C@H](C)CO[N-]C(=O)c1cc2ccc(C(F)(F)F)cc2[nH]c1=O ZINC000820280163 1136986672 /nfs/dbraw/zinc/98/66/72/1136986672.db2.gz ZVVFPWJSTUJPJK-VIFPVBQESA-N -1 0 342.317 3.667 20 0 EHADRM CC[C@H](C(=O)[N-]O[C@@H]1CCCCO1)c1ccc(Br)cc1 ZINC000858986003 1136999411 /nfs/dbraw/zinc/99/94/11/1136999411.db2.gz BEAYCCVTWXGYJQ-UONOGXRCSA-N -1 0 342.233 3.517 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H](C)c2ccccc2C)c(C)c1 ZINC000116591003 1137005589 /nfs/dbraw/zinc/00/55/89/1137005589.db2.gz DTZTXYSPCGEISH-OAHLLOKOSA-N -1 0 345.464 3.611 20 0 EHADRM CCCCc1ccc([N-]S(=O)(=O)c2c[nH]nc2C(F)(F)F)cc1 ZINC000821119665 1137017439 /nfs/dbraw/zinc/01/74/39/1137017439.db2.gz XBCCPOQTTAZUPN-UHFFFAOYSA-N -1 0 347.362 3.572 20 0 EHADRM COC[C@@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000822124184 1137050018 /nfs/dbraw/zinc/05/00/18/1137050018.db2.gz FHGDYTWAERYHOM-SNVBAGLBSA-N -1 0 332.227 3.588 20 0 EHADRM CCN(Cc1ccncc1)C(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001136572259 1137056721 /nfs/dbraw/zinc/05/67/21/1137056721.db2.gz TUYORPKDSYUKNX-UHFFFAOYSA-N -1 0 325.195 3.756 20 0 EHADRM CSCCCCCCC(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1 ZINC000860555502 1137066077 /nfs/dbraw/zinc/06/60/77/1137066077.db2.gz JGXNGWGGXNCCHA-AWEZNQCLSA-N -1 0 343.514 3.507 20 0 EHADRM Cc1cc(C)c(OCC(=O)Nc2c(C)cccc2C(=O)[O-])c(C)c1 ZINC000013431850 1137082247 /nfs/dbraw/zinc/08/22/47/1137082247.db2.gz CDUQYBBBSYLRLM-UHFFFAOYSA-N -1 0 327.380 3.636 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1 ZINC000013439808 1137082701 /nfs/dbraw/zinc/08/27/01/1137082701.db2.gz VTJPTJJIRNTTQV-UHFFFAOYSA-N -1 0 341.382 3.903 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])CCC1(F)F ZINC000823001786 1137083026 /nfs/dbraw/zinc/08/30/26/1137083026.db2.gz OQLSXKLWZDXUEL-NSHDSACASA-N -1 0 349.333 3.582 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000013449889 1137085997 /nfs/dbraw/zinc/08/59/97/1137085997.db2.gz LFDAELCQRWTJKI-UHFFFAOYSA-N -1 0 339.322 3.781 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N3C[C@@H]4CCC[C@H]4[C@H]3C(=O)[O-])[nH]c2c1 ZINC000823340071 1137095839 /nfs/dbraw/zinc/09/58/39/1137095839.db2.gz YZRMAFQWUXIKDX-DAYGRLMNSA-N -1 0 340.423 3.617 20 0 EHADRM C[C@H]1CN(C(=O)NCCCCCCc2ccccc2)CC[C@H]1C(=O)[O-] ZINC000861468637 1137108049 /nfs/dbraw/zinc/10/80/49/1137108049.db2.gz YIHNGKKNOODFMG-FUHWJXTLSA-N -1 0 346.471 3.542 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)N3CC[C@H](C4CCC4)C3)c([O-])c2)o1 ZINC000823669568 1137108890 /nfs/dbraw/zinc/10/88/90/1137108890.db2.gz KGVVYFZFPDGGOP-HNNXBMFYSA-N -1 0 339.391 3.727 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)C1(C)CCCCCC1 ZINC000781468515 1137114455 /nfs/dbraw/zinc/11/44/55/1137114455.db2.gz HIUIIJQMGQKBJJ-UHFFFAOYSA-N -1 0 343.876 3.814 20 0 EHADRM O=C(NO[C@H]1CCCCO1)Nc1cccc(SC(F)(F)F)c1 ZINC000861652189 1137116935 /nfs/dbraw/zinc/11/69/35/1137116935.db2.gz SHCIOLVUHXUVOF-NSHDSACASA-N -1 0 336.335 3.878 20 0 EHADRM C[C@H](C1CC1)n1nccc1NC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC001143759998 1137198012 /nfs/dbraw/zinc/19/80/12/1137198012.db2.gz VYGVGXMVBPUFDH-SECBINFHSA-N -1 0 339.317 3.831 20 0 EHADRM CC(C)OC(=O)C[C@@H](NC(=O)c1cc2ccccc2cc1O)C(C)C ZINC001143815541 1137203057 /nfs/dbraw/zinc/20/30/57/1137203057.db2.gz YYJCXMQTNRYPGM-QGZVFWFLSA-N -1 0 343.423 3.642 20 0 EHADRM Cc1nc(N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc(C(F)(F)F)n1 ZINC000844218336 1137203305 /nfs/dbraw/zinc/20/33/05/1137203305.db2.gz KRBTUQBHLKXJPL-VXGBXAGGSA-N -1 0 337.301 3.529 20 0 EHADRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)/C=C/C1CCCCCC1 ZINC000844311097 1137208559 /nfs/dbraw/zinc/20/85/59/1137208559.db2.gz YBSVVYSDZCLFDS-CMDGGOBGSA-N -1 0 345.468 3.882 20 0 EHADRM Cc1ccc(C(=O)Nc2cccc(COCC3CC3)c2)cc1C(=O)[O-] ZINC000864105913 1137215358 /nfs/dbraw/zinc/21/53/58/1137215358.db2.gz CZIVYGNYUIIGIK-UHFFFAOYSA-N -1 0 339.391 3.872 20 0 EHADRM C[C@]1(c2ccccc2)CCCN(C(=O)/C=C/c2cc(C(=O)[O-])co2)C1 ZINC000864110235 1137215431 /nfs/dbraw/zinc/21/54/31/1137215431.db2.gz NOOZNTQWFROWRY-IBDYFIJFSA-N -1 0 339.391 3.571 20 0 EHADRM Cc1cc(C(=O)N[C@H](C)c2ccccc2C(F)(F)F)oc1C(=O)[O-] ZINC000864113659 1137215808 /nfs/dbraw/zinc/21/58/08/1137215808.db2.gz VRTFRDDRZUOLAU-SECBINFHSA-N -1 0 341.285 3.796 20 0 EHADRM CC(C)(CC(=O)[O-])NC(=O)Cc1coc2c1ccc(Cl)c2Cl ZINC000864117100 1137215946 /nfs/dbraw/zinc/21/59/46/1137215946.db2.gz HDBIDGUEEPYURX-UHFFFAOYSA-N -1 0 344.194 3.652 20 0 EHADRM CCC(CC)(CNC(=O)/C=C/c1ccsc1C(F)(F)F)C(=O)[O-] ZINC000864126960 1137216276 /nfs/dbraw/zinc/21/62/76/1137216276.db2.gz OROKPJHGONBRCT-AATRIKPKSA-N -1 0 349.374 3.787 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)C2(c3cccnc3)CCCC2)cc1 ZINC000864122477 1137216278 /nfs/dbraw/zinc/21/62/78/1137216278.db2.gz VOBBULSRBABCLV-YFHOEESVSA-N -1 0 336.391 3.630 20 0 EHADRM C[C@H](CCc1ccc(F)cc1)C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000864134912 1137216945 /nfs/dbraw/zinc/21/69/45/1137216945.db2.gz KVHBDIAECSBVSJ-ACWOFJMJSA-N -1 0 335.419 3.544 20 0 EHADRM C[C@H](NC(=O)Cc1coc2c1ccc(Cl)c2Cl)[C@H](C)C(=O)[O-] ZINC000864138737 1137216992 /nfs/dbraw/zinc/21/69/92/1137216992.db2.gz AMMVDVLVKRURRQ-YUMQZZPRSA-N -1 0 344.194 3.508 20 0 EHADRM C[C@H](CCc1ccc(F)cc1)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000864149322 1137217150 /nfs/dbraw/zinc/21/71/50/1137217150.db2.gz KKKPRWSGGFURPA-GFCCVEGCSA-N -1 0 347.361 3.799 20 0 EHADRM O=C([O-])C1=CC[C@@H](NC(=O)CCCc2csc3ccccc23)C1 ZINC000864166443 1137217589 /nfs/dbraw/zinc/21/75/89/1137217589.db2.gz WULAOGLXTFLJBL-CQSZACIVSA-N -1 0 329.421 3.514 20 0 EHADRM O=C([O-])C1=CC[C@@H](NC(=O)C2(c3ccccc3)CCCCCC2)C1 ZINC000864167332 1137217610 /nfs/dbraw/zinc/21/76/10/1137217610.db2.gz FNLGQLLNUVEXPN-QGZVFWFLSA-N -1 0 327.424 3.568 20 0 EHADRM O=C([O-])[C@@H]1CCCCCN1C(=O)/C=C\c1csc(C(F)(F)F)c1 ZINC000864158466 1137217643 /nfs/dbraw/zinc/21/76/43/1137217643.db2.gz MFBAVWLLNYBZFU-GZTOBOFZSA-N -1 0 347.358 3.636 20 0 EHADRM Cc1ccc([C@@H](C)N(C)C(=O)c2ccc(/C=C\C(=O)[O-])o2)c(C)c1 ZINC000864177831 1137217817 /nfs/dbraw/zinc/21/78/17/1137217817.db2.gz MZVRLKJLDLFDIC-JKEYDSJLSA-N -1 0 327.380 3.827 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C[C@@H]2CSCCS2)c2ccccc12 ZINC000864176561 1137217863 /nfs/dbraw/zinc/21/78/63/1137217863.db2.gz TWBAOHQGCONCSR-LLVKDONJSA-N -1 0 347.461 3.715 20 0 EHADRM O=C([O-])c1coc(/C=C/C(=O)N2CCCC[C@H]2c2ccc(F)cc2)c1 ZINC000864180418 1137218116 /nfs/dbraw/zinc/21/81/16/1137218116.db2.gz QXFAVUXUYSTTDT-IJDCCNJMSA-N -1 0 343.354 3.884 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N2CCCC[C@H]2c2ccc(F)cc2)o1 ZINC000864180663 1137218206 /nfs/dbraw/zinc/21/82/06/1137218206.db2.gz XVLCIJJZAZSMOM-SLWQEBJJSA-N -1 0 343.354 3.884 20 0 EHADRM Cc1ccc(C(=O)N2CCC[C@@](F)(c3ccccc3)C2)cc1C(=O)[O-] ZINC000864202876 1137218901 /nfs/dbraw/zinc/21/89/01/1137218901.db2.gz WOQQPGVFNALUGL-FQEVSTJZSA-N -1 0 341.382 3.794 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1 ZINC000864210034 1137218925 /nfs/dbraw/zinc/21/89/25/1137218925.db2.gz HNRUAVOGHZUTNL-PXIJXODZSA-N -1 0 349.386 3.878 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N2CCC(c3ccc(F)cc3)CC2)o1 ZINC000864218358 1137219153 /nfs/dbraw/zinc/21/91/53/1137219153.db2.gz UVSXLTQJVWYYLT-SOFGYWHQSA-N -1 0 343.354 3.536 20 0 EHADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1(c3ccccc3)CCCCCC1)C2 ZINC000864211738 1137219206 /nfs/dbraw/zinc/21/92/06/1137219206.db2.gz DYZKGQOBYDZSRJ-WWMYMODYSA-N -1 0 341.451 3.648 20 0 EHADRM CCC(C)(C)CCS(=O)(=O)Nc1ccccc1CCCC(=O)[O-] ZINC000864436920 1137227319 /nfs/dbraw/zinc/22/73/19/1137227319.db2.gz PMVWAORIZFPCJZ-UHFFFAOYSA-N -1 0 341.473 3.662 20 0 EHADRM Cc1cccc([C@H](NCc2nc(C(C)(C)C)cs2)C(=O)[O-])c1C ZINC000864509605 1137230862 /nfs/dbraw/zinc/23/08/62/1137230862.db2.gz OGCNPLFEIITFAG-INIZCTEOSA-N -1 0 332.469 3.973 20 0 EHADRM CCc1ccncc1[N-]S(=O)(=O)c1ccc(C(=O)C(C)(C)C)cc1 ZINC000844837209 1137254669 /nfs/dbraw/zinc/25/46/69/1137254669.db2.gz WPGWKUGLVFAENP-UHFFFAOYSA-N -1 0 346.452 3.674 20 0 EHADRM CCCC(C)(C)C(=O)[N-]S(=O)(=O)[C@H](c1ccccc1)C(C)C ZINC000845577407 1137299244 /nfs/dbraw/zinc/29/92/44/1137299244.db2.gz MAWWFEKAZMXODG-HNNXBMFYSA-N -1 0 325.474 3.656 20 0 EHADRM CSCC1(CC(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000846118167 1137334082 /nfs/dbraw/zinc/33/40/82/1137334082.db2.gz UXLXNFDBYPBZEG-ZDUSSCGKSA-N -1 0 341.860 3.505 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)c1ccc(SC(F)F)cc1)C(=O)[O-] ZINC000846119458 1137334108 /nfs/dbraw/zinc/33/41/08/1137334108.db2.gz FLQJXXCQPZNEQA-NSHDSACASA-N -1 0 331.384 3.621 20 0 EHADRM COC(=O)[C@H]1CCCC[C@H]1C(=O)Nc1c(Cl)ccc([O-])c1Cl ZINC001144812851 1137350336 /nfs/dbraw/zinc/35/03/36/1137350336.db2.gz GSGCRHPFOJDGIF-BDAKNGLRSA-N -1 0 346.210 3.617 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2C[C@@H](C)CCC[C@@H]2C)n1 ZINC001147052748 1137399159 /nfs/dbraw/zinc/39/91/59/1137399159.db2.gz ZVDLOFCQQXLGPG-GJZGRUSLSA-N -1 0 341.455 3.791 20 0 EHADRM CC(C)(C)[C@H](NC(=O)Nc1ccc(SC(F)F)cc1)C(=O)[O-] ZINC000797734130 1137402482 /nfs/dbraw/zinc/40/24/82/1137402482.db2.gz NZULLBOEWNCXSU-SNVBAGLBSA-N -1 0 332.372 3.622 20 0 EHADRM C[C@H]1CCC[C@H](CNC(=O)c2cc(Cl)c3ccccc3c2[O-])O1 ZINC001147762750 1137411741 /nfs/dbraw/zinc/41/17/41/1137411741.db2.gz BQPAKIGPJWOMJI-NWDGAFQWSA-N -1 0 333.815 3.886 20 0 EHADRM CCCN(Cc1c(F)cccc1Cl)C(=O)N=c1[n-]nc(C)s1 ZINC000339081317 1137414376 /nfs/dbraw/zinc/41/43/76/1137414376.db2.gz RULSZVURLSTSSP-UHFFFAOYSA-N -1 0 342.827 3.505 20 0 EHADRM CC[C@H](C)C[C@@H](C)NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC001147862968 1137414407 /nfs/dbraw/zinc/41/44/07/1137414407.db2.gz ZFLHVBOXVLOLDX-WCQYABFASA-N -1 0 333.407 3.580 20 0 EHADRM CCOc1ccc(NC(=O)c2cccc(C(F)(F)F)c2[O-])nc1C ZINC001148714946 1137431809 /nfs/dbraw/zinc/43/18/09/1137431809.db2.gz YLPQNJQUTRCHJQ-UHFFFAOYSA-N -1 0 340.301 3.765 20 0 EHADRM Cn1cc2cccc(NC(=O)c3cc(Cl)cc(Cl)c3[O-])c2n1 ZINC001148815741 1137435688 /nfs/dbraw/zinc/43/56/88/1137435688.db2.gz XPQRONNSTQARLT-UHFFFAOYSA-N -1 0 336.178 3.838 20 0 EHADRM O=C(Nc1cccc2cnncc21)c1cc(Cl)cc(Cl)c1[O-] ZINC001148815553 1137435709 /nfs/dbraw/zinc/43/57/09/1137435709.db2.gz PINKXCIHBGXOLV-UHFFFAOYSA-N -1 0 334.162 3.895 20 0 EHADRM COCc1ccc(CNC(=O)c2cc(Cl)cc(Cl)c2[O-])cc1 ZINC001148814595 1137435806 /nfs/dbraw/zinc/43/58/06/1137435806.db2.gz WBKRCJKAKSAEAK-UHFFFAOYSA-N -1 0 340.206 3.775 20 0 EHADRM Cc1ccc(C)c([C@H]2CCCN2C(=O)c2n[n-]c3ccccc3c2=O)c1 ZINC000122625180 1137455069 /nfs/dbraw/zinc/45/50/69/1137455069.db2.gz GSOQOVZWDXZOAS-GOSISDBHSA-N -1 0 347.418 3.517 20 0 EHADRM O=C([O-])CCCCNC(=O)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000773227159 1137480380 /nfs/dbraw/zinc/48/03/80/1137480380.db2.gz RXPVLAHTHNPAOW-UHFFFAOYSA-N -1 0 337.847 3.913 20 0 EHADRM O=C(Cc1nc(-c2ccccc2)cs1)[N-]OCCCC(F)(F)F ZINC000871216363 1137528263 /nfs/dbraw/zinc/52/82/63/1137528263.db2.gz RCNYNFLDTSSKFA-UHFFFAOYSA-N -1 0 344.358 3.743 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC[C@H](OC2CCC2)CC1 ZINC000871332362 1137537512 /nfs/dbraw/zinc/53/75/12/1137537512.db2.gz ZFLMEBRSYSUAHT-AWEZNQCLSA-N -1 0 346.452 3.680 20 0 EHADRM CC(C)[C@@H]1CCc2[n-]n(-c3ccnc(Br)c3)c(=O)c2C1 ZINC000871952505 1137563646 /nfs/dbraw/zinc/56/36/46/1137563646.db2.gz DEJBKYGBTNRTQI-ZYHUDNBSSA-N -1 0 336.233 3.619 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2c(F)cccc2Cl)noc1C(C)(C)C ZINC000872007063 1137564421 /nfs/dbraw/zinc/56/44/21/1137564421.db2.gz IVVXKMZMDQNXOP-UHFFFAOYSA-N -1 0 346.811 3.874 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2C(C)(F)F)sn1 ZINC000872405327 1137579453 /nfs/dbraw/zinc/57/94/53/1137579453.db2.gz MWWCQRPAOMBMJM-UHFFFAOYSA-N -1 0 336.360 3.503 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000872712726 1137583087 /nfs/dbraw/zinc/58/30/87/1137583087.db2.gz YOWFBFCMOCYYMZ-INIZCTEOSA-N -1 0 325.408 3.830 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2sccc2C(F)F)n1 ZINC000872733127 1137583347 /nfs/dbraw/zinc/58/33/47/1137583347.db2.gz QWJAHEHAENPBPM-SECBINFHSA-N -1 0 343.355 3.560 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000872737263 1137583483 /nfs/dbraw/zinc/58/34/83/1137583483.db2.gz PZJMMNIDRBTEPX-INIZCTEOSA-N -1 0 337.419 3.804 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)[C@@H]1C[C@H]1c1ccc3ccccc3c1)CC2 ZINC000872767021 1137584130 /nfs/dbraw/zinc/58/41/30/1137584130.db2.gz HTULATPPKURKKR-JYLXEMOASA-N -1 0 349.430 3.799 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)C(C)(C)SCC(=O)[O-])cc1 ZINC000872843902 1137585469 /nfs/dbraw/zinc/58/54/69/1137585469.db2.gz OVJGRDRCQCPLGY-NSHDSACASA-N -1 0 341.498 3.572 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)N[C@@H](CC1CCC1)c1ccccc1 ZINC000872855932 1137585698 /nfs/dbraw/zinc/58/56/98/1137585698.db2.gz RVXDVWCVIZKYEB-HNNXBMFYSA-N -1 0 335.469 3.631 20 0 EHADRM CCN(C(=O)C(C)(C)SCC(=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000872910759 1137586495 /nfs/dbraw/zinc/58/64/95/1137586495.db2.gz FAJTZYUUFOCKPJ-GFCCVEGCSA-N -1 0 349.452 3.939 20 0 EHADRM CCC(CC)(CC(=O)N[C@@H](c1ccccc1)C1CCOCC1)C(=O)[O-] ZINC000872951551 1137586860 /nfs/dbraw/zinc/58/68/60/1137586860.db2.gz LRINNINWVPOFQE-SFHVURJKSA-N -1 0 347.455 3.552 20 0 EHADRM Cc1cccc(C)c1[C@@H]1CCCN1C(=O)C(C)(C)SCC(=O)[O-] ZINC000872980945 1137587460 /nfs/dbraw/zinc/58/74/60/1137587460.db2.gz MNSNJDBJJROSJT-AWEZNQCLSA-N -1 0 335.469 3.563 20 0 EHADRM O=C([O-])CCCC(=O)N(Cc1ccccc1C(F)(F)F)CC1CC1 ZINC000872987419 1137587514 /nfs/dbraw/zinc/58/75/14/1137587514.db2.gz MTIXZILZTUSGER-UHFFFAOYSA-N -1 0 343.345 3.699 20 0 EHADRM O=C([O-])CC1(CC(=O)NC[C@@H]2CC=CC[C@H]2C(F)(F)F)CCCC1 ZINC000872997501 1137587674 /nfs/dbraw/zinc/58/76/74/1137587674.db2.gz LQULZEBIENEDBO-QWHCGFSZSA-N -1 0 347.377 3.673 20 0 EHADRM CCc1ccc(Br)c(NC(=O)[C@](C)(CC)CC(=O)[O-])c1 ZINC000873005529 1137587884 /nfs/dbraw/zinc/58/78/84/1137587884.db2.gz WLCYXSKAKJNMNT-OAHLLOKOSA-N -1 0 342.233 3.841 20 0 EHADRM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])C1 ZINC000873733041 1137606441 /nfs/dbraw/zinc/60/64/41/1137606441.db2.gz VWXJTXWYYVATDQ-CHWSQXEVSA-N -1 0 327.380 3.583 20 0 EHADRM CCN(C(=O)NCc1ccccc1C(=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000874408120 1137613708 /nfs/dbraw/zinc/61/37/08/1137613708.db2.gz AUAIDGPLCHMUQL-ZDUSSCGKSA-N -1 0 344.386 3.817 20 0 EHADRM O=Cc1ccc(-c2ccc(CC(=O)Nc3cccc(C(=O)[O-])c3)cc2)o1 ZINC000874971378 1137627296 /nfs/dbraw/zinc/62/72/96/1137627296.db2.gz DDNOTQSQSXJIFG-UHFFFAOYSA-N -1 0 349.342 3.639 20 0 EHADRM Cc1cncc(NC(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])c1 ZINC001137143857 1137744015 /nfs/dbraw/zinc/74/40/15/1137744015.db2.gz FCQWSMPKZYPUPE-UHFFFAOYSA-N -1 0 336.395 3.657 20 0 EHADRM CCc1ccc(C(C)(C)CNC(=O)c2s[n-]c(=O)c2Cl)cc1 ZINC001137147286 1137759980 /nfs/dbraw/zinc/75/99/80/1137759980.db2.gz NTGPZAOACHIISE-UHFFFAOYSA-N -1 0 338.860 3.772 20 0 EHADRM O=S(=O)(CC=C(Cl)Cl)[N-][C@H](c1ccccc1)C(F)(F)F ZINC000881793630 1137815562 /nfs/dbraw/zinc/81/55/62/1137815562.db2.gz RTSKOQJABQNKAI-SNVBAGLBSA-N -1 0 348.173 3.528 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2ncsc2C2CC2)c(C)c1 ZINC000882771895 1137833838 /nfs/dbraw/zinc/83/38/38/1137833838.db2.gz XQSRGOYZIDPOGK-UHFFFAOYSA-N -1 0 338.454 3.528 20 0 EHADRM O=S(=O)([N-]c1ncsc1C1CC1)c1ccc(F)c(Cl)c1 ZINC000882770819 1137833913 /nfs/dbraw/zinc/83/39/13/1137833913.db2.gz BQWGDJZAKKSGCU-UHFFFAOYSA-N -1 0 332.809 3.614 20 0 EHADRM CC[C@@H](NC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1)c1nccs1 ZINC000348280744 1137893049 /nfs/dbraw/zinc/89/30/49/1137893049.db2.gz IJWBNYYXXFGMSL-DYVFJYSZSA-N -1 0 338.473 3.772 20 0 EHADRM O=S(=O)(/C=C\c1ccccc1F)[N-]c1nc2ccccc2s1 ZINC000800028316 1137894812 /nfs/dbraw/zinc/89/48/12/1137894812.db2.gz MYHCNQOQSQZQBE-KTKRTIGZSA-N -1 0 334.397 3.848 20 0 EHADRM C[C@H]1CCN(C(=O)N=c2nc(C(C)(C)C)[n-]s2)[C@@H](c2ccco2)C1 ZINC000331588552 1137913445 /nfs/dbraw/zinc/91/34/45/1137913445.db2.gz KNVZEIMFNVPGTN-NWDGAFQWSA-N -1 0 348.472 3.856 20 0 EHADRM O=C(CCC1CC1)Nc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000115333606 1137921532 /nfs/dbraw/zinc/92/15/32/1137921532.db2.gz DHYYDMLPNWOWNA-UHFFFAOYSA-N -1 0 344.436 3.616 20 0 EHADRM Cc1cc([C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2[O-])on1 ZINC000331818219 1137921945 /nfs/dbraw/zinc/92/19/45/1137921945.db2.gz LMLWGGMSRVHZGH-LLVKDONJSA-N -1 0 341.194 3.973 20 0 EHADRM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C ZINC000332112839 1137932213 /nfs/dbraw/zinc/93/22/13/1137932213.db2.gz AGTRDQQLZJMPST-NSHDSACASA-N -1 0 339.848 3.543 20 0 EHADRM C[C@H]1CCc2nc(NC(=O)c3cc(F)c(F)c([O-])c3F)sc2C1 ZINC000332215460 1137936040 /nfs/dbraw/zinc/93/60/40/1137936040.db2.gz WQTNIMZGVHMIRG-LURJTMIESA-N -1 0 342.342 3.643 20 0 EHADRM CC(C)CO[N-]C(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000135326928 1137966047 /nfs/dbraw/zinc/96/60/47/1137966047.db2.gz GZAJBPKLHHPYNT-UHFFFAOYSA-N -1 0 326.607 3.729 20 0 EHADRM CCSCc1cccnc1[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000886442393 1138078326 /nfs/dbraw/zinc/07/83/26/1138078326.db2.gz WTIRLSWBDJLSPD-UHFFFAOYSA-N -1 0 348.396 3.666 20 0 EHADRM O=C(c1s[n-]c(=O)c1Cl)N1CCCCC[C@H]1c1ccco1 ZINC000282970940 1138190669 /nfs/dbraw/zinc/19/06/69/1138190669.db2.gz GHRXNOYHMJHUGX-VIFPVBQESA-N -1 0 326.805 3.853 20 0 EHADRM O=C(Nc1ccc(F)cc1OCC1CC1)c1s[n-]c(=O)c1Cl ZINC000282973143 1138210897 /nfs/dbraw/zinc/21/08/97/1138210897.db2.gz GLRJFZUTERNQFI-UHFFFAOYSA-N -1 0 342.779 3.682 20 0 EHADRM CCCCOc1ccccc1NC(=O)c1cc(NC(C)=O)ccc1O ZINC000121929782 1138252443 /nfs/dbraw/zinc/25/24/43/1138252443.db2.gz NMLFWOGTHRBIOV-UHFFFAOYSA-N -1 0 342.395 3.782 20 0 EHADRM CC(C)c1cc(=O)n(-c2cccc(OC(F)F)c2Br)[n-]1 ZINC000887294725 1138257802 /nfs/dbraw/zinc/25/78/02/1138257802.db2.gz KDQFSCWKRLYJSD-UHFFFAOYSA-N -1 0 347.159 3.799 20 0 EHADRM CC(C)(CNC(=O)c1cc(O)c2ccccc2c1)C1CCOCC1 ZINC000887388874 1138298472 /nfs/dbraw/zinc/29/84/72/1138298472.db2.gz ZCGPYWITSSJFAR-UHFFFAOYSA-N -1 0 327.424 3.728 20 0 EHADRM CC(C)C[C@@]1(C)CCCN1C(=O)N=c1ncn(C2CCCCC2)[n-]1 ZINC000333807486 1138333356 /nfs/dbraw/zinc/33/33/56/1138333356.db2.gz HJKURLPXMIIQOD-GOSISDBHSA-N -1 0 333.480 3.638 20 0 EHADRM CCc1ccc(O)c([N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)c1 ZINC000348457383 1138619852 /nfs/dbraw/zinc/61/98/52/1138619852.db2.gz UBDSBEIFOMRHJH-UHFFFAOYSA-N -1 0 349.383 3.949 20 0 EHADRM O=S(=O)([N-]c1ccc2scnc2c1)c1cnc2ccccc2c1 ZINC000337771095 1138664035 /nfs/dbraw/zinc/66/40/35/1138664035.db2.gz VJBZEVOJOPLYAV-UHFFFAOYSA-N -1 0 341.417 3.645 20 0 EHADRM COC(=O)c1cc(C)c(C(=O)Nc2nnc(C3CCCCC3)s2)o1 ZINC000887809982 1138941248 /nfs/dbraw/zinc/94/12/48/1138941248.db2.gz XSNUQLSTSWZDPV-UHFFFAOYSA-N -1 0 349.412 3.526 20 0 EHADRM O=C(CC[C@H]1CCOC1)Nc1cc(Cl)cc(Br)c1[O-] ZINC000176253856 1139548558 /nfs/dbraw/zinc/54/85/58/1139548558.db2.gz JPUWPLUWDPCJDA-QMMMGPOBSA-N -1 0 348.624 3.563 20 0 EHADRM C[C@@H]1CN(C(=O)CSc2n[n-]c(=S)s2)[C@H]1c1ccccc1 ZINC000176481544 1139560000 /nfs/dbraw/zinc/56/00/00/1139560000.db2.gz PZXGSTMVNVBDPI-BXKDBHETSA-N -1 0 337.495 3.512 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)[C@H](C)CC2CCCC2)c1Cl ZINC000777353858 1139795089 /nfs/dbraw/zinc/79/50/89/1139795089.db2.gz DYTAGCFRPAVMAP-GFCCVEGCSA-N -1 0 343.876 3.670 20 0 EHADRM CC(C)Oc1cccc([C@@H](C)NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000179961842 1139796392 /nfs/dbraw/zinc/79/63/92/1139796392.db2.gz TUCBCLYFXXFLNT-BMFZPTHFSA-N -1 0 333.428 3.542 20 0 EHADRM CC[C@@H](c1ccncc1)N(CC)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000180052222 1139804617 /nfs/dbraw/zinc/80/46/17/1139804617.db2.gz VEXXKNLWCJFGGC-ZDUSSCGKSA-N -1 0 338.329 3.818 20 0 EHADRM O=C(C[C@H]1CCCN1C(=O)c1ccc([O-])c(Cl)c1)c1cccs1 ZINC000180131593 1139810657 /nfs/dbraw/zinc/81/06/57/1139810657.db2.gz CHVPZRGXIRFOOL-GFCCVEGCSA-N -1 0 349.839 3.985 20 0 EHADRM Cc1cc(/C=C\C(=O)N[C@H](C)CCC(=O)[O-])c(C)n1C1CCCCC1 ZINC000777377158 1139924326 /nfs/dbraw/zinc/92/43/26/1139924326.db2.gz ICGHBYZDDUAFDF-IWMPZKFUSA-N -1 0 346.471 3.993 20 0 EHADRM Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000182471262 1139974770 /nfs/dbraw/zinc/97/47/70/1139974770.db2.gz KAQSRFRGUQHXSY-UHFFFAOYSA-N -1 0 335.425 3.597 20 0 EHADRM CCN(C(=O)c1cc(F)c([O-])c(F)c1)[C@@H](C)c1cccc(OC)c1 ZINC000183402823 1140035150 /nfs/dbraw/zinc/03/51/50/1140035150.db2.gz CBLACVIDMSKARR-NSHDSACASA-N -1 0 335.350 3.902 20 0 EHADRM COc1ccccc1C[C@H]1CCCN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000183510938 1140044024 /nfs/dbraw/zinc/04/40/24/1140044024.db2.gz QEEUIFHBZTUBFP-CQSZACIVSA-N -1 0 347.361 3.526 20 0 EHADRM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(C(=O)[O-])co1 ZINC000183776532 1140058612 /nfs/dbraw/zinc/05/86/12/1140058612.db2.gz APUXTDYDNZBSPV-HZPDHXFCSA-N -1 0 327.380 3.776 20 0 EHADRM Cn1nc(C2CCCC2)cc1NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000184032661 1140075360 /nfs/dbraw/zinc/07/53/60/1140075360.db2.gz VUBUWOJNFFCMLI-UHFFFAOYSA-N -1 0 342.424 3.760 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCC[C@@H]1c1cccs1 ZINC000184911444 1140125315 /nfs/dbraw/zinc/12/53/15/1140125315.db2.gz PPWPXGBUHDNNQN-SNVBAGLBSA-N -1 0 327.327 3.848 20 0 EHADRM C[C@]1(Cc2ccccc2)CCC[N@@H+]1Cc1nc(=O)c2sccc2[n-]1 ZINC000186058066 1140184303 /nfs/dbraw/zinc/18/43/03/1140184303.db2.gz WPKIPFRUHPIQLI-LJQANCHMSA-N -1 0 339.464 3.582 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c(Cl)c1 ZINC000186908951 1140228056 /nfs/dbraw/zinc/22/80/56/1140228056.db2.gz IDSVGAFGXHVLNS-OVTCNUJSSA-N -1 0 349.814 3.589 20 0 EHADRM O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)c1cc(F)c([O-])c(Cl)c1 ZINC000192600315 1140539749 /nfs/dbraw/zinc/53/97/49/1140539749.db2.gz XRVVYLSZXAOUFT-SJCJKPOMSA-N -1 0 349.789 3.692 20 0 EHADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)c1nc(-c2cccc(Cl)c2)no1 ZINC000193934446 1140591138 /nfs/dbraw/zinc/59/11/38/1140591138.db2.gz STVBDMRKUFXUTN-JTQLQIEISA-N -1 0 347.724 3.766 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2c(C)cccc2F)cnn1C1CCCC1 ZINC000194227551 1140602775 /nfs/dbraw/zinc/60/27/75/1140602775.db2.gz QXJFSBMBHVPXDF-UHFFFAOYSA-N -1 0 337.420 3.555 20 0 EHADRM O=C([O-])C1CCC(C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000194405483 1140607819 /nfs/dbraw/zinc/60/78/19/1140607819.db2.gz GIZIYSMIVRFOPI-XUJLQICISA-N -1 0 335.831 3.895 20 0 EHADRM Cc1cnc([C@H](C)NC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)s1 ZINC000267350897 1140781587 /nfs/dbraw/zinc/78/15/87/1140781587.db2.gz LWVFWAQKPDYXRB-YVEFUNNKSA-N -1 0 338.473 3.690 20 0 EHADRM O=C(Nc1cc(Cl)cc(Br)c1[O-])[C@@H]1CCCS1 ZINC000267401804 1140787714 /nfs/dbraw/zinc/78/77/14/1140787714.db2.gz ZXCHWZQTMXOXSH-VIFPVBQESA-N -1 0 336.638 3.642 20 0 EHADRM O=C(N[C@H]1CCOC2(CCC2)C1)c1c([O-])cc(Cl)cc1Cl ZINC000269048070 1141054525 /nfs/dbraw/zinc/05/45/25/1141054525.db2.gz MTDZMHXJWUFLCU-JTQLQIEISA-N -1 0 330.211 3.531 20 0 EHADRM CCn1nc(C)c(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)c1C ZINC000270725472 1141261646 /nfs/dbraw/zinc/26/16/46/1141261646.db2.gz XIVIITJYYSXHJM-UHFFFAOYSA-N -1 0 335.473 3.752 20 0 EHADRM CC(C)c1nnc(CCC(=O)Nc2cc(Cl)cc(Cl)c2[O-])o1 ZINC000271261184 1141334942 /nfs/dbraw/zinc/33/49/42/1141334942.db2.gz ISIWMTCFXQHSOJ-UHFFFAOYSA-N -1 0 344.198 3.777 20 0 EHADRM COc1ccc([C@H](OC)[C@H](C)NC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000271369335 1141352350 /nfs/dbraw/zinc/35/23/50/1141352350.db2.gz HSIQCNRFACDSNR-APPDUMDISA-N -1 0 349.814 3.560 20 0 EHADRM O=C(NCc1ccccc1C(F)(F)F)c1cc(F)c(F)c([O-])c1F ZINC000348601412 1141556063 /nfs/dbraw/zinc/55/60/63/1141556063.db2.gz QWNHVVCEDYPTOL-UHFFFAOYSA-N -1 0 349.230 3.758 20 0 EHADRM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1s[n-]c(=O)c1Cl ZINC000283262243 1141579919 /nfs/dbraw/zinc/57/99/19/1141579919.db2.gz DEVGLMOKFDDGAX-LLVKDONJSA-N -1 0 342.823 3.638 20 0 EHADRM COc1cccc(-c2nc(C(=O)[N-]c3ccccc3SC)no2)c1 ZINC000349044094 1141627741 /nfs/dbraw/zinc/62/77/41/1141627741.db2.gz BGQXUFACWLPGIA-UHFFFAOYSA-N -1 0 341.392 3.719 20 0 EHADRM CCCOc1ccc(CNC(=O)c2s[n-]c(=O)c2Cl)c(C)c1 ZINC000283453777 1141628800 /nfs/dbraw/zinc/62/88/00/1141628800.db2.gz NYTVMVQQCSAFER-UHFFFAOYSA-N -1 0 340.832 3.529 20 0 EHADRM COc1ccc(/C=C\c2ncc(C(=O)[O-])s2)c(Br)c1 ZINC000349112695 1141640784 /nfs/dbraw/zinc/64/07/84/1141640784.db2.gz PDGPWMLUFUBHBH-HYXAFXHYSA-N -1 0 340.198 3.783 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1sccc1Br ZINC000104299050 219372089 /nfs/dbraw/zinc/37/20/89/219372089.db2.gz GASYMILFEWYTPB-UHFFFAOYSA-N -1 0 332.200 3.523 20 0 EHADRM Cc1cc(NC(=O)c2ccccc2Br)sc1C(=O)[O-] ZINC000022144994 212279098 /nfs/dbraw/zinc/27/90/98/212279098.db2.gz GJUYSHZHNAHQCH-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM O=C([O-])c1c(NC(=O)c2ccc(F)c(F)c2F)sc2c1CCC2 ZINC000020334792 212120857 /nfs/dbraw/zinc/12/08/57/212120857.db2.gz MXCQGKXSQZQMFC-UHFFFAOYSA-N -1 0 341.310 3.605 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)COc2c(C)cccc2C)s1 ZINC000020333277 212120471 /nfs/dbraw/zinc/12/04/71/212120471.db2.gz KXXGIUORJFEOTO-UHFFFAOYSA-N -1 0 333.409 3.643 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)c1ccc(Br)s1 ZINC000019519516 212037024 /nfs/dbraw/zinc/03/70/24/212037024.db2.gz TYLDDUHSNCUVAE-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000187520697 524106292 /nfs/dbraw/zinc/10/62/92/524106292.db2.gz JCSVUYHPWKNGOS-OAHLLOKOSA-N -1 0 347.455 3.715 20 0 EHADRM O=C([O-])CCCCCCNC(=O)CCCc1c[nH]c2ccccc12 ZINC000299366008 527577993 /nfs/dbraw/zinc/57/79/93/527577993.db2.gz OWWDZZWAIJSSQR-UHFFFAOYSA-N -1 0 330.428 3.642 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000299745709 563968063 /nfs/dbraw/zinc/96/80/63/563968063.db2.gz SAPQPCOXVMAPDF-JTQLQIEISA-N -1 0 330.211 3.710 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2cc(Cl)cc3cccnc32)CC1 ZINC000299746657 564150620 /nfs/dbraw/zinc/15/06/20/564150620.db2.gz YXOOVDXKKBZGPX-GFCCVEGCSA-N -1 0 346.814 3.605 20 0 EHADRM CCCN(C(=O)CSCC(=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000571570017 597089725 /nfs/dbraw/zinc/08/97/25/597089725.db2.gz OKVWPBNTPQATJF-LBPRGKRZSA-N -1 0 335.425 3.550 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)C1 ZINC000533196173 597097158 /nfs/dbraw/zinc/09/71/58/597097158.db2.gz SHAZWUMLYSTTNT-KYNGSXCRSA-N -1 0 337.419 3.657 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)CCCc2csc3ccccc23)C1 ZINC000533197200 597102261 /nfs/dbraw/zinc/10/22/61/597102261.db2.gz QHYZFMDIOLCABL-CQSZACIVSA-N -1 0 345.464 3.937 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)Nc2cccc(SC(F)F)c2)C1 ZINC000819365176 597119966 /nfs/dbraw/zinc/11/99/66/597119966.db2.gz WSSVZXXPYNNSRB-JTQLQIEISA-N -1 0 344.383 3.720 20 0 EHADRM Cc1c(C(=O)NCc2ccc(C(=O)[O-])cc2)sc2nccc(C)c12 ZINC000818967501 597150639 /nfs/dbraw/zinc/15/06/39/597150639.db2.gz UZINQEHZBVSLCC-UHFFFAOYSA-N -1 0 340.404 3.541 20 0 EHADRM C[C@H](C(=O)NCCCCCC(=O)[O-])c1c(Cl)cccc1Cl ZINC000676211305 597153611 /nfs/dbraw/zinc/15/36/11/597153611.db2.gz BAPXQFRORTYWLM-JTQLQIEISA-N -1 0 332.227 3.858 20 0 EHADRM CC(C)N(Cc1cccs1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000390963464 597192082 /nfs/dbraw/zinc/19/20/82/597192082.db2.gz LOTSRNJJBXRPFP-UHFFFAOYSA-N -1 0 332.425 3.818 20 0 EHADRM CC[C@H](Cc1ccccc1)N(C)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000818140532 597192583 /nfs/dbraw/zinc/19/25/83/597192583.db2.gz GKKGKKDBSQLIJM-GOSISDBHSA-N -1 0 340.423 3.799 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1cccc(CC(=O)[O-])c1)c1nc(C)cs1 ZINC000818132384 597204690 /nfs/dbraw/zinc/20/46/90/597204690.db2.gz VRDMZNVBNOTLLS-QGZVFWFLSA-N -1 0 347.440 3.526 20 0 EHADRM Cc1cc(C[S@@](=O)Cc2ccc(C(=O)[O-])cc2)c2ccccc2n1 ZINC000818820454 597286114 /nfs/dbraw/zinc/28/61/14/597286114.db2.gz LDFOPTFMGYFKKC-DEOSSOPVSA-N -1 0 339.416 3.690 20 0 EHADRM O=C([O-])c1ccc(C[S@](=O)Cc2ncc(-c3cccs3)o2)cc1 ZINC000819691462 597287071 /nfs/dbraw/zinc/28/70/71/597287071.db2.gz MPUXVGCICKTUAE-QHCPKHFHSA-N -1 0 347.417 3.550 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000818885320 597324898 /nfs/dbraw/zinc/32/48/98/597324898.db2.gz INKZOKMLCNIFRG-SFHVURJKSA-N -1 0 338.407 3.991 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])c2)oc1C ZINC000517485849 597509069 /nfs/dbraw/zinc/50/90/69/597509069.db2.gz VGHXROJPZNWYPV-HNNXBMFYSA-N -1 0 345.399 3.579 20 0 EHADRM CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccccc1C(=O)[O-] ZINC000820285211 598178804 /nfs/dbraw/zinc/17/88/04/598178804.db2.gz VYTCAEXPUTVMFF-MRXNPFEDSA-N -1 0 327.384 3.785 20 0 EHADRM Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccccc1C(=O)[O-])CCC2 ZINC000821181865 598178991 /nfs/dbraw/zinc/17/89/91/598178991.db2.gz MKMLOGYJQDQUAL-AWEZNQCLSA-N -1 0 345.424 3.691 20 0 EHADRM COc1ccc([C@@H](C)C(=O)Oc2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000737950632 599710692 /nfs/dbraw/zinc/71/06/92/599710692.db2.gz SDOKFXDIMRCCKZ-SNVBAGLBSA-N -1 0 334.755 3.756 20 0 EHADRM COc1ccccc1[C@H](C)NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000738118988 599715978 /nfs/dbraw/zinc/71/59/78/599715978.db2.gz FYSBFMOKXZKTFR-JTQLQIEISA-N -1 0 347.346 3.807 20 0 EHADRM CCOc1cc(NC(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)ccc1C ZINC000737191312 599719559 /nfs/dbraw/zinc/71/95/59/599719559.db2.gz HTFHUYDIRUIJOT-UHFFFAOYSA-N -1 0 346.383 3.657 20 0 EHADRM Cc1ccc(NC(=O)CCCNC(=O)[O-])c(OCc2ccccc2)c1 ZINC000738617330 599724627 /nfs/dbraw/zinc/72/46/27/599724627.db2.gz XFMDLVIMKQJRHA-UHFFFAOYSA-N -1 0 342.395 3.560 20 0 EHADRM O=C([O-])NCCC(=O)N(Cc1cccc2ccccc21)C1CCCC1 ZINC000738654889 599732049 /nfs/dbraw/zinc/73/20/49/599732049.db2.gz WCMZRWBHMBYQHM-UHFFFAOYSA-N -1 0 340.423 3.769 20 0 EHADRM CC[C@H](NC(=O)NCc1ccc(OC)c(C(=O)[O-])c1)C1CCCCC1 ZINC000736914567 599737265 /nfs/dbraw/zinc/73/72/65/599737265.db2.gz VUHKDFNJOPDKDZ-INIZCTEOSA-N -1 0 348.443 3.552 20 0 EHADRM CN(CCCC(=O)Nc1ccccc1COc1ccccc1)C(=O)[O-] ZINC000737431259 599737476 /nfs/dbraw/zinc/73/74/76/599737476.db2.gz RHBPRAQWIGRPCP-UHFFFAOYSA-N -1 0 342.395 3.594 20 0 EHADRM CCc1[nH]c(C(=O)Nc2ccc(CCSC)cc2)c(C)c1C(=O)[O-] ZINC000737243498 599738426 /nfs/dbraw/zinc/73/84/26/599738426.db2.gz GQBVGJQJMXTDKG-UHFFFAOYSA-N -1 0 346.452 3.742 20 0 EHADRM Cc1cccc(Oc2ccccc2NC(=O)CCSCC(=O)[O-])c1 ZINC000738744812 599740965 /nfs/dbraw/zinc/74/09/65/599740965.db2.gz OPHCPVWTJNQSNH-UHFFFAOYSA-N -1 0 345.420 3.934 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)CCCN(C)C(=O)[O-])cc2s1 ZINC000736524685 599741555 /nfs/dbraw/zinc/74/15/55/599741555.db2.gz NWZLSOLRSNKDTA-UHFFFAOYSA-N -1 0 335.429 3.748 20 0 EHADRM Cc1ccc2c(Cl)c(C(=O)NCCCCC(=O)[O-])sc2c1 ZINC000738663789 599741959 /nfs/dbraw/zinc/74/19/59/599741959.db2.gz DEPOOQAYTXBXIO-UHFFFAOYSA-N -1 0 325.817 3.848 20 0 EHADRM O=C([O-])CSCCC(=O)Oc1ccc2oc3ccccc3c2c1 ZINC000739858376 599742409 /nfs/dbraw/zinc/74/24/09/599742409.db2.gz WPPILTZCQQCAOW-UHFFFAOYSA-N -1 0 330.361 3.699 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)CCCOc1cccc2ccccc21)C(=O)[O-] ZINC000737234643 599743810 /nfs/dbraw/zinc/74/38/10/599743810.db2.gz URJXAGAYAAIIKJ-LIRRHRJNSA-N -1 0 343.423 3.614 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000236942317 599745036 /nfs/dbraw/zinc/74/50/36/599745036.db2.gz VCDGHTROOUKZDA-CQSZACIVSA-N -1 0 325.408 3.709 20 0 EHADRM CCCN(CC)c1ccc(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)cn1 ZINC000737020330 599747947 /nfs/dbraw/zinc/74/79/47/599747947.db2.gz VAGXDGJGPHRYLE-LBPRGKRZSA-N -1 0 346.383 3.527 20 0 EHADRM O=C([O-])CSCCC(=O)N1CCC[C@H]1c1cccc2ccccc21 ZINC000739844918 599751038 /nfs/dbraw/zinc/75/10/38/599751038.db2.gz NIGCLOVHUDYKIM-KRWDZBQOSA-N -1 0 343.448 3.711 20 0 EHADRM CC(C)Sc1ccc([C@H](C)NC(=O)CCCN(C)C(=O)[O-])cc1 ZINC000736499982 599754295 /nfs/dbraw/zinc/75/42/95/599754295.db2.gz OESIDTGVNFFROL-ZDUSSCGKSA-N -1 0 338.473 3.754 20 0 EHADRM CCCCc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(OC)cc2)cc1 ZINC000678984273 599757843 /nfs/dbraw/zinc/75/78/43/599757843.db2.gz WOQQQPXVGQTHEV-SFHVURJKSA-N -1 0 341.407 3.594 20 0 EHADRM CCCCC1CCC(C(=O)N[C@H](C(=O)[O-])c2ccc(OC)cc2)CC1 ZINC000736986412 599759289 /nfs/dbraw/zinc/75/92/89/599759289.db2.gz WJLOOKHWCTXAKX-PVARCSIZSA-N -1 0 347.455 3.934 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(-c2ccco2)nc1C ZINC000190870448 599762740 /nfs/dbraw/zinc/76/27/40/599762740.db2.gz USBVOFGSHONGRX-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)C2(c3cccc(F)c3)CCC2)cc1 ZINC000238036435 599769017 /nfs/dbraw/zinc/76/90/17/599769017.db2.gz KGRKPSLBMUMWOZ-UHFFFAOYSA-N -1 0 341.382 3.903 20 0 EHADRM Cc1cc(CN(C)[C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)no1 ZINC000568639811 599771215 /nfs/dbraw/zinc/77/12/15/599771215.db2.gz UGZLSTLVZNRRIU-CYBMUJFWSA-N -1 0 329.183 3.548 20 0 EHADRM Cc1[nH]c(C(=O)Nc2cc(-c3ccncc3)ccc2C)c(C)c1C(=O)[O-] ZINC000738248070 599782978 /nfs/dbraw/zinc/78/29/78/599782978.db2.gz CJFPVZNSXBXMFM-UHFFFAOYSA-N -1 0 349.390 3.952 20 0 EHADRM O=C([O-])c1ccccc1C(=O)OCc1csc(C2CCCC2)n1 ZINC000740239017 599786349 /nfs/dbraw/zinc/78/63/49/599786349.db2.gz FDPNGXLBXAROAF-UHFFFAOYSA-N -1 0 331.393 3.856 20 0 EHADRM Cc1csc([C@H](C)NC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)n1 ZINC000315425531 599788717 /nfs/dbraw/zinc/78/87/17/599788717.db2.gz PZAHPRVZOMFSRM-QMMMGPOBSA-N -1 0 339.804 3.686 20 0 EHADRM CCCC[C@H]1CCC[C@H]1NC(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000736984720 599789209 /nfs/dbraw/zinc/78/92/09/599789209.db2.gz JTLVLMXFXJIZJG-XJKSGUPXSA-N -1 0 334.416 3.630 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccccc1 ZINC000736861803 599793032 /nfs/dbraw/zinc/79/30/32/599793032.db2.gz QHLLARQLQVKYHP-GOSISDBHSA-N -1 0 330.359 3.971 20 0 EHADRM CC[C@](C)(NC(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000736860735 599793848 /nfs/dbraw/zinc/79/38/48/599793848.db2.gz DRZQEOVEOSFXKT-IBGZPJMESA-N -1 0 342.395 3.597 20 0 EHADRM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000736718612 599795613 /nfs/dbraw/zinc/79/56/13/599795613.db2.gz RRMZATQAUMENNF-JTQLQIEISA-N -1 0 328.343 3.718 20 0 EHADRM CCC(CC)(NC(=O)c1cccc(C(=O)[O-])n1)c1ccc(Cl)cc1 ZINC000736894570 599799391 /nfs/dbraw/zinc/79/93/91/599799391.db2.gz RURAZULKKLXCGB-UHFFFAOYSA-N -1 0 346.814 3.879 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1csc(-c2ccoc2)n1 ZINC000120265110 599806708 /nfs/dbraw/zinc/80/67/08/599806708.db2.gz FMBPQBDHOLLXMC-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM Cc1noc(C)c1CNc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000738944891 599809692 /nfs/dbraw/zinc/80/96/92/599809692.db2.gz LSFBKLAIRSBKIU-UHFFFAOYSA-N -1 0 344.289 3.543 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC000738683022 599815687 /nfs/dbraw/zinc/81/56/87/599815687.db2.gz KDDIRWUKYGKHFL-CQSZACIVSA-N -1 0 328.343 3.545 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])c(Cl)c1 ZINC000737932021 599817381 /nfs/dbraw/zinc/81/73/81/599817381.db2.gz PXPKBAODHBSCMQ-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccccc2SC(F)(F)F)n1 ZINC000740217206 599819217 /nfs/dbraw/zinc/81/92/17/599819217.db2.gz SZGJMZQDFHSFMS-UHFFFAOYSA-N -1 0 342.298 3.644 20 0 EHADRM O=C([O-])[C@H](NC(=O)C[C@@H]1CCCc2ccccc21)c1cccs1 ZINC000448996400 599823157 /nfs/dbraw/zinc/82/31/57/599823157.db2.gz RSSQZMDEGRCOSU-SUMWQHHRSA-N -1 0 329.421 3.500 20 0 EHADRM CC(C)Sc1ccc([C@@H](C)NC(=O)[C@H](NC(=O)[O-])C(C)C)cc1 ZINC000736499318 599828743 /nfs/dbraw/zinc/82/87/43/599828743.db2.gz CSFFGIALISRFIQ-IUODEOHRSA-N -1 0 338.473 3.657 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N2CCC[C@@H]2C2CCCC2)cc1 ZINC000325868069 599830236 /nfs/dbraw/zinc/83/02/36/599830236.db2.gz KGZKGBFQVADBER-QGZVFWFLSA-N -1 0 330.428 3.890 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000736622744 599834499 /nfs/dbraw/zinc/83/44/99/599834499.db2.gz VIKRGVWEVRBDLX-SNVBAGLBSA-N -1 0 347.411 3.891 20 0 EHADRM CCCN(Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000383573945 599836268 /nfs/dbraw/zinc/83/62/68/599836268.db2.gz NEAUQBCDPVOPMR-UHFFFAOYSA-N -1 0 330.359 3.968 20 0 EHADRM CN(C(=O)c1ccnc(Oc2ccccc2)c1)c1ccccc1C(=O)[O-] ZINC000737341182 599837843 /nfs/dbraw/zinc/83/78/43/599837843.db2.gz OFKJZVCHTZJFPK-UHFFFAOYSA-N -1 0 348.358 3.849 20 0 EHADRM CN(CCCC(=O)Oc1ccc(Sc2ccncc2)cc1)C(=O)[O-] ZINC000737438331 599841385 /nfs/dbraw/zinc/84/13/85/599841385.db2.gz LPKRLPVNDXWJEV-UHFFFAOYSA-N -1 0 346.408 3.528 20 0 EHADRM CC(C)c1ccccc1OCC(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000324924646 599847229 /nfs/dbraw/zinc/84/72/29/599847229.db2.gz VQINVMPAADVAEK-UHFFFAOYSA-N -1 0 331.343 3.665 20 0 EHADRM Cc1ccc(C(=O)C2CCN(Cc3cc(C(=O)[O-])co3)CC2)c(C)c1 ZINC000738504194 599847505 /nfs/dbraw/zinc/84/75/05/599847505.db2.gz SSDIQQHNBCSNIJ-UHFFFAOYSA-N -1 0 341.407 3.690 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)/C=C/c2ccsc2)cc1 ZINC000492351506 599848364 /nfs/dbraw/zinc/84/83/64/599848364.db2.gz UHJGTWPWTMHJDM-HYNJPGQWSA-N -1 0 347.461 3.815 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(C)cc(C)c2)cc1 ZINC000237361162 599849014 /nfs/dbraw/zinc/84/90/14/599849014.db2.gz SUTPIMOBNCYVSC-KRWDZBQOSA-N -1 0 343.448 3.971 20 0 EHADRM Cc1cc(COc2ccc(-c3noc(C4CC4)n3)cc2)oc1C(=O)[O-] ZINC000738395284 599856180 /nfs/dbraw/zinc/85/61/80/599856180.db2.gz RLVGRESUMPRWNY-UHFFFAOYSA-N -1 0 340.335 3.793 20 0 EHADRM C[C@@H](OC(=O)Cc1ccccc1C(F)(F)F)c1ccc(C(=O)[O-])o1 ZINC000736694497 599870857 /nfs/dbraw/zinc/87/08/57/599870857.db2.gz WBLPMVIUSFZABY-SECBINFHSA-N -1 0 342.269 3.844 20 0 EHADRM C[C@@H](OC(=O)CCCN(C)C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000736681115 599871561 /nfs/dbraw/zinc/87/15/61/599871561.db2.gz ABIBSLCKLVNWJT-SECBINFHSA-N -1 0 334.199 3.988 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)Cc1ccsc1 ZINC000678982626 599872347 /nfs/dbraw/zinc/87/23/47/599872347.db2.gz RPEDHTOIVBADRY-UHFFFAOYSA-N -1 0 331.418 3.520 20 0 EHADRM O=C([O-])c1coc(CNC2(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000740268037 599876049 /nfs/dbraw/zinc/87/60/49/599876049.db2.gz NZUWMLCBJSOICG-UHFFFAOYSA-N -1 0 325.286 3.776 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)OCc1cc(C(=O)[O-])co1 ZINC000738195524 599877850 /nfs/dbraw/zinc/87/78/50/599877850.db2.gz VLTCORVZCLDEIO-UHFFFAOYSA-N -1 0 346.360 3.944 20 0 EHADRM CCCc1nc(COC(=O)c2ccccc2N(C)C(=O)[O-])cs1 ZINC000737051675 599882530 /nfs/dbraw/zinc/88/25/30/599882530.db2.gz YHAQRKCDHIATEI-UHFFFAOYSA-N -1 0 334.397 3.567 20 0 EHADRM CCC[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000736973737 599887395 /nfs/dbraw/zinc/88/73/95/599887395.db2.gz KJBNTEQMGPLYTL-BBRMVZONSA-N -1 0 334.416 3.630 20 0 EHADRM COc1ccc2nc(NC(=O)c3cccc(NC(=O)[O-])c3)sc2c1 ZINC000738080484 599892534 /nfs/dbraw/zinc/89/25/34/599892534.db2.gz ZJJOBGZHYBMHEC-UHFFFAOYSA-N -1 0 343.364 3.647 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)OCc1ccoc1C(=O)[O-] ZINC000736892536 599904023 /nfs/dbraw/zinc/90/40/23/599904023.db2.gz VFYXMRVZQHOBRH-XEHSLEBBSA-N -1 0 344.363 3.912 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)c2cccc(NC(=O)[O-])c2)c(C)c1 ZINC000738589736 599904605 /nfs/dbraw/zinc/90/46/05/599904605.db2.gz TYOFHAWKGYPFTG-CQSZACIVSA-N -1 0 326.396 3.754 20 0 EHADRM Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)cc1Cl ZINC000237611348 599908976 /nfs/dbraw/zinc/90/89/76/599908976.db2.gz IXLOVEJAYCCYEQ-OAHLLOKOSA-N -1 0 335.762 3.733 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CSc1nncn1C1CC1 ZINC000740281734 599909294 /nfs/dbraw/zinc/90/92/94/599909294.db2.gz WJSSEBLDBBEBBP-UHFFFAOYSA-N -1 0 331.422 3.818 20 0 EHADRM CC(=O)c1c(C)cc(C)c(COc2ccc(C(=O)[O-])cc2C=O)c1C ZINC000736176685 599910045 /nfs/dbraw/zinc/91/00/45/599910045.db2.gz MBBWNDQAFGUIFH-UHFFFAOYSA-N -1 0 340.375 3.904 20 0 EHADRM CC(C)[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1cccs1)c1ccccc1 ZINC000448987288 599911600 /nfs/dbraw/zinc/91/16/00/599911600.db2.gz ASXZNWLFVUASPG-RHSMWYFYSA-N -1 0 331.437 3.820 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1cccs1)c1ccccc1F ZINC000237510578 599912763 /nfs/dbraw/zinc/91/27/63/599912763.db2.gz OLQGLTJVBUQFCT-FZMZJTMJSA-N -1 0 335.400 3.713 20 0 EHADRM CC1=NN(c2ccc(C(=O)Nc3ccc(C(=O)[O-])c(C)c3)cc2)CC1 ZINC000236778266 599915808 /nfs/dbraw/zinc/91/58/08/599915808.db2.gz GXODHXNNMIBPGZ-UHFFFAOYSA-N -1 0 337.379 3.532 20 0 EHADRM CN(C(=O)c1cccc(C(=O)[O-])c1)[C@@H](c1ccccc1)C(F)(F)F ZINC000737340838 599919481 /nfs/dbraw/zinc/91/94/81/599919481.db2.gz MFAJGRDPDLYVLR-AWEZNQCLSA-N -1 0 337.297 3.760 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)/C=C/c2ccccc2)c1 ZINC000238073404 599922872 /nfs/dbraw/zinc/92/28/72/599922872.db2.gz CZBMEWBFWYOVHO-MDZDMXLPSA-N -1 0 327.405 3.656 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000139351606 599930975 /nfs/dbraw/zinc/93/09/75/599930975.db2.gz HUHBLTYXQMTHER-RDTXWAMCSA-N -1 0 343.398 3.727 20 0 EHADRM COc1cccc([C@@H](C)C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000181653380 599931297 /nfs/dbraw/zinc/93/12/97/599931297.db2.gz VYWIKLPJBRGPIS-RDTXWAMCSA-N -1 0 341.407 3.521 20 0 EHADRM CC(C)Cc1nc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)cs1 ZINC000736452653 599931479 /nfs/dbraw/zinc/93/14/79/599931479.db2.gz COZGIOVZNGLSSR-CQSZACIVSA-N -1 0 346.452 3.678 20 0 EHADRM COC(=O)c1sc2ccccc2c1CNc1cccc(C(=O)[O-])c1 ZINC000737723886 599936257 /nfs/dbraw/zinc/93/62/57/599936257.db2.gz QXFXNTPBDCBPIB-UHFFFAOYSA-N -1 0 341.388 3.998 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)c1ccc2ncsc2c1)c1ccccc1 ZINC000324256092 599937052 /nfs/dbraw/zinc/93/70/52/599937052.db2.gz UPUDEDHFXFFCCV-CQSZACIVSA-N -1 0 340.404 3.632 20 0 EHADRM O=C([O-])c1sc2ccccc2c1COC(=O)CSC(F)F ZINC000739338119 599944760 /nfs/dbraw/zinc/94/47/60/599944760.db2.gz SKLBEFGTVZLGIJ-UHFFFAOYSA-N -1 0 332.349 3.599 20 0 EHADRM Cn1cc(C(=O)OCc2cccc(C(=O)[O-])c2)c(C2CCCCC2)n1 ZINC000739025262 599946555 /nfs/dbraw/zinc/94/65/55/599946555.db2.gz CDFPOKNDRREVGY-UHFFFAOYSA-N -1 0 342.395 3.523 20 0 EHADRM CC(C)COc1ccccc1C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736448305 599972793 /nfs/dbraw/zinc/97/27/93/599972793.db2.gz KSDRCLSFCMITIG-UHFFFAOYSA-N -1 0 339.391 3.576 20 0 EHADRM Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000676000797 599984655 /nfs/dbraw/zinc/98/46/55/599984655.db2.gz XPNNPXKVTAPWGU-UHFFFAOYSA-N -1 0 329.400 3.514 20 0 EHADRM COc1cccc(NC(=O)Nc2cccc(CSCC(=O)[O-])c2)c1 ZINC000738106512 599987306 /nfs/dbraw/zinc/98/73/06/599987306.db2.gz NREXHONYKAYXFG-UHFFFAOYSA-N -1 0 346.408 3.657 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)Nc2ccc(F)cc2)c1 ZINC000739872653 599987651 /nfs/dbraw/zinc/98/76/51/599987651.db2.gz VJBAAKHAZYJFNR-UHFFFAOYSA-N -1 0 334.372 3.788 20 0 EHADRM Cc1cc(C)cc(NC(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])c1 ZINC000738365160 599993791 /nfs/dbraw/zinc/99/37/91/599993791.db2.gz WYLHQACQKVAWKG-HNNXBMFYSA-N -1 0 344.386 3.508 20 0 EHADRM O=C([O-])Cc1csc(NC(=O)CCCCCc2cccs2)n1 ZINC000238112423 599994109 /nfs/dbraw/zinc/99/41/09/599994109.db2.gz PQOQZSITTKNZIK-UHFFFAOYSA-N -1 0 338.454 3.573 20 0 EHADRM CC1(c2ccccc2)CC(NC(=O)Nc2cc(C(=O)[O-])ccc2F)C1 ZINC000736742338 599994647 /nfs/dbraw/zinc/99/46/47/599994647.db2.gz RMQMNQVFAAVDNP-UHFFFAOYSA-N -1 0 342.370 3.766 20 0 EHADRM CC(C)Oc1cccc(COC(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000736493786 599997732 /nfs/dbraw/zinc/99/77/32/599997732.db2.gz AGWFNHGVMUNGFK-UHFFFAOYSA-N -1 0 329.352 3.921 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)OCCOc2ccccc2Cl)c1 ZINC000740040824 599999485 /nfs/dbraw/zinc/99/94/85/599999485.db2.gz YLWWENWQRPNWLE-UHFFFAOYSA-N -1 0 335.743 3.666 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)CCCc2ccc(Cl)c(Cl)c2)C1 ZINC000136116607 600018656 /nfs/dbraw/zinc/01/86/56/600018656.db2.gz IEXNPHMGMBHXFR-GFCCVEGCSA-N -1 0 344.238 3.639 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c(C)c1 ZINC000738550559 600019168 /nfs/dbraw/zinc/01/91/68/600019168.db2.gz GFQFMOFUYLOKCH-CQSZACIVSA-N -1 0 338.407 3.788 20 0 EHADRM CN(CC1CCCC1)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000737411110 600020082 /nfs/dbraw/zinc/02/00/82/600020082.db2.gz ZCNBGVFXKWAGOJ-UHFFFAOYSA-N -1 0 336.457 3.658 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)c2occc2CSc2ccccc2)C1 ZINC000238077031 600020963 /nfs/dbraw/zinc/02/09/63/600020963.db2.gz PTEBWTARBKBMIX-ZDUSSCGKSA-N -1 0 345.420 3.509 20 0 EHADRM C[C@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000736718593 600022055 /nfs/dbraw/zinc/02/20/55/600022055.db2.gz SOIIJOLFOLMABB-SNVBAGLBSA-N -1 0 348.786 3.969 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2cccc(CSCC(=O)[O-])c2)o1 ZINC000738552036 600022200 /nfs/dbraw/zinc/02/22/00/600022200.db2.gz LMUMWMNWTVRSPI-GFCCVEGCSA-N -1 0 348.424 3.789 20 0 EHADRM CCSCc1ccc(C(=O)Oc2cccc(CC(=O)[O-])c2)cc1 ZINC000737232131 600028788 /nfs/dbraw/zinc/02/87/88/600028788.db2.gz ZGTVPZMWWLFGED-UHFFFAOYSA-N -1 0 330.405 3.786 20 0 EHADRM O=C([O-])C1CCC(NC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000040537318 600028938 /nfs/dbraw/zinc/02/89/38/600028938.db2.gz HVMZFRBSDKHUHH-UHFFFAOYSA-N -1 0 331.199 3.758 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)CC2 ZINC000738671021 600032837 /nfs/dbraw/zinc/03/28/37/600032837.db2.gz PJNQMQIJQJAJIZ-HNNXBMFYSA-N -1 0 346.333 3.780 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc3[nH]c(C(F)F)nc3c2)ccc1F ZINC000739472348 600036928 /nfs/dbraw/zinc/03/69/28/600036928.db2.gz RJIJHNXZSUMZGJ-UHFFFAOYSA-N -1 0 349.268 3.590 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N(C)CCCC(=O)[O-])c(F)c2)cc1 ZINC000237027975 600037703 /nfs/dbraw/zinc/03/77/03/600037703.db2.gz GMSQYCJNXUWNCI-UHFFFAOYSA-N -1 0 329.371 3.738 20 0 EHADRM CC(C)c1ccc(CNC(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000485667416 600037894 /nfs/dbraw/zinc/03/78/94/600037894.db2.gz ZWGHDYZBDFLLOC-UHFFFAOYSA-N -1 0 325.408 3.757 20 0 EHADRM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(Cl)cc2C(=O)[O-])c1 ZINC000738097830 600038257 /nfs/dbraw/zinc/03/82/57/600038257.db2.gz XRRBIPZKKVEPET-UONOGXRCSA-N -1 0 345.782 3.789 20 0 EHADRM CCC[C@@H](Cc1ccccc1)NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000236884255 600043549 /nfs/dbraw/zinc/04/35/49/600043549.db2.gz LXYSFGCEZGPEFA-IBGZPJMESA-N -1 0 339.435 3.845 20 0 EHADRM Cc1cc(C(=O)[O-])c2sc(NC(=O)C[C@H]3CCCC[C@H]3C)nc2n1 ZINC000738340915 600050214 /nfs/dbraw/zinc/05/02/14/600050214.db2.gz CJLNRFQJTOGOJG-MWLCHTKSSA-N -1 0 347.440 3.853 20 0 EHADRM CC[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000236927593 600060849 /nfs/dbraw/zinc/06/08/49/600060849.db2.gz QBHZFSJBVVDKSD-YJBOKZPZSA-N -1 0 325.408 3.903 20 0 EHADRM CC/C(=C\C(=O)N[C@@H](CC(=O)[O-])c1cccs1)c1ccccc1 ZINC000736837768 600061050 /nfs/dbraw/zinc/06/10/50/600061050.db2.gz YZMGLSHQMSQHRM-FQNOHDAGSA-N -1 0 329.421 3.874 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000738120147 600068028 /nfs/dbraw/zinc/06/80/28/600068028.db2.gz IUPPKWMVLUHAMG-VAWYXSNFSA-N -1 0 325.364 3.744 20 0 EHADRM Cc1cccc(C[C@@H](CNC(=O)c2cccc(C(F)F)c2)C(=O)[O-])c1 ZINC000263520436 600068787 /nfs/dbraw/zinc/06/87/87/600068787.db2.gz GYRHTNGXSCYERC-INIZCTEOSA-N -1 0 347.361 3.606 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCC2(Sc3ccccc3)CC2)s1 ZINC000262348874 600074118 /nfs/dbraw/zinc/07/41/18/600074118.db2.gz AZNRZGBFZLQKGD-UHFFFAOYSA-N -1 0 333.434 3.501 20 0 EHADRM CC(C)c1ccc(NC(=O)c2cnn(C(C)(C)C)c2)c(C(=O)[O-])c1 ZINC000736515850 600074517 /nfs/dbraw/zinc/07/45/17/600074517.db2.gz UYXFZTXKILJVBG-UHFFFAOYSA-N -1 0 329.400 3.712 20 0 EHADRM CCc1ccc2c(CNc3ccc(C(=O)[O-])c(C)c3)cc(=O)oc2c1 ZINC000737266661 600076230 /nfs/dbraw/zinc/07/62/30/600076230.db2.gz GTAFUTVZUKJWRR-UHFFFAOYSA-N -1 0 337.375 3.974 20 0 EHADRM Cc1cc2oc(=O)cc(CN3Cc4ccc(C(=O)[O-])cc4C3)c2cc1C ZINC000738486955 600081490 /nfs/dbraw/zinc/08/14/90/600081490.db2.gz MTOVGPMCURNAPI-UHFFFAOYSA-N -1 0 349.386 3.624 20 0 EHADRM CC(C)Oc1cccc(Cc2nc(-c3ccc(C(=O)[O-])cc3)no2)c1 ZINC000736493843 600110414 /nfs/dbraw/zinc/11/04/14/600110414.db2.gz CNOWOMRAUWZNQM-UHFFFAOYSA-N -1 0 338.363 3.813 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)c1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000736621856 600110466 /nfs/dbraw/zinc/11/04/66/600110466.db2.gz FJWPTWCKXZSGSH-LLVKDONJSA-N -1 0 326.327 3.920 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 ZINC000485653631 600112978 /nfs/dbraw/zinc/11/29/78/600112978.db2.gz JAYCKCKLLBYXJM-HUUCEWRRSA-N -1 0 345.782 3.578 20 0 EHADRM Cc1cc2cc(NC(=O)N3Cc4ccc(C(=O)[O-])cc4C3)ccc2[nH]1 ZINC000738479584 600116460 /nfs/dbraw/zinc/11/64/60/600116460.db2.gz TYBASSGNKSKKGT-UHFFFAOYSA-N -1 0 335.363 3.722 20 0 EHADRM CC(C)(C)c1ccc(CCCC(=O)N[C@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000736298445 600119207 /nfs/dbraw/zinc/11/92/07/600119207.db2.gz SNCMPAPHIRFNSO-KRWDZBQOSA-N -1 0 346.471 3.565 20 0 EHADRM Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000738901574 600123037 /nfs/dbraw/zinc/12/30/37/600123037.db2.gz WQJWSRMWHDYYQC-UHFFFAOYSA-N -1 0 348.378 3.736 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)NC[C@H]2CC=CCC2)c1 ZINC000739754599 600124441 /nfs/dbraw/zinc/12/44/41/600124441.db2.gz UMQIUQNMWORPEK-AWEZNQCLSA-N -1 0 348.468 3.872 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)NC2CCCCC2)c1 ZINC000739754467 600125679 /nfs/dbraw/zinc/12/56/79/600125679.db2.gz RTKUFDOJTSHFHR-UHFFFAOYSA-N -1 0 336.457 3.849 20 0 EHADRM O=C([O-])Nc1cc(NCc2nc(-c3ccsc3)no2)ccc1F ZINC000740012434 600127731 /nfs/dbraw/zinc/12/77/31/600127731.db2.gz NVHAQHRWACWKST-UHFFFAOYSA-N -1 0 334.332 3.639 20 0 EHADRM CC[C@](NC(=O)CCCc1cccs1)(C(=O)[O-])c1ccccc1 ZINC000262376379 600129433 /nfs/dbraw/zinc/12/94/33/600129433.db2.gz GEXZOUCCGVWRDH-GOSISDBHSA-N -1 0 331.437 3.577 20 0 EHADRM CC[C@](NC(=O)c1cc2ccccc2nc1C)(C(=O)[O-])c1ccccc1 ZINC000736917185 600130345 /nfs/dbraw/zinc/13/03/45/600130345.db2.gz QFWJSIKRBBTBDP-OAQYLSRUSA-N -1 0 348.402 3.663 20 0 EHADRM CC[C@](NC(=O)[C@H](C)Cc1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC000736904465 600132427 /nfs/dbraw/zinc/13/24/27/600132427.db2.gz BGUMFWLZYPJMIY-JLTOFOAXSA-N -1 0 343.398 3.511 20 0 EHADRM COc1ccc(SCCC(=O)Oc2ccc(C)cc2C(=O)[O-])cc1 ZINC000738068446 600133432 /nfs/dbraw/zinc/13/34/32/600133432.db2.gz LZCQJVNWYFFZPI-UHFFFAOYSA-N -1 0 346.404 3.790 20 0 EHADRM Cc1cc(C)c(C)c(OCCC(=O)N(C)c2ccccc2C(=O)[O-])c1 ZINC000738351991 600143896 /nfs/dbraw/zinc/14/38/96/600143896.db2.gz RACJUXGLKRNDRM-UHFFFAOYSA-N -1 0 341.407 3.742 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)c1sccc1SC(F)F ZINC000736433055 600146203 /nfs/dbraw/zinc/14/62/03/600146203.db2.gz SBNXZKXSCRXYTC-UHFFFAOYSA-N -1 0 337.413 3.636 20 0 EHADRM Cc1ccc([C@H](CNC(=O)/C=C/c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000738554672 600156159 /nfs/dbraw/zinc/15/61/59/600156159.db2.gz SPEXCJSQMIPNRW-CEUCYRDJSA-N -1 0 343.810 3.646 20 0 EHADRM Cc1ccc([C@H](CNC(=O)/C=C\c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000738554673 600156215 /nfs/dbraw/zinc/15/62/15/600156215.db2.gz SPEXCJSQMIPNRW-KOJMWDNASA-N -1 0 343.810 3.646 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)c2csc3ccccc23)C(=O)[O-])cc1 ZINC000486369029 600161236 /nfs/dbraw/zinc/16/12/36/600161236.db2.gz GJRROTYZVGKKJM-OAHLLOKOSA-N -1 0 339.416 3.808 20 0 EHADRM Cc1cc(Nc2ccc(CCC(=O)[O-])cc2)nc(-c2cccnc2)n1 ZINC000738463796 600162283 /nfs/dbraw/zinc/16/22/83/600162283.db2.gz NGTFODQWRBUKSF-UHFFFAOYSA-N -1 0 334.379 3.608 20 0 EHADRM CN(C(=O)c1cc(-c2ccccc2)nc2ccccc21)C(C)(C)C(=O)[O-] ZINC000737332801 600166798 /nfs/dbraw/zinc/16/67/98/600166798.db2.gz CSWRJKCHDFJIHH-UHFFFAOYSA-N -1 0 348.402 3.837 20 0 EHADRM Cc1cc(NC(=O)CCOc2ccc(C(C)C)cc2)c(C(=O)[O-])[nH]1 ZINC000738420701 600168420 /nfs/dbraw/zinc/16/84/20/600168420.db2.gz IGBGHUJLCKLKEE-UHFFFAOYSA-N -1 0 330.384 3.552 20 0 EHADRM C[C@H](CC(=O)N(C)C(C)(C)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000262467138 600171020 /nfs/dbraw/zinc/17/10/20/600171020.db2.gz RPUAFTKPZMOWHY-SNVBAGLBSA-N -1 0 331.334 3.521 20 0 EHADRM Cc1cc(C)cc([C@@H](C)NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000738363876 600173233 /nfs/dbraw/zinc/17/32/33/600173233.db2.gz OLIHCQCZNNBOHR-CQSZACIVSA-N -1 0 338.407 3.788 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)OCc1cccc(C(=O)[O-])c1 ZINC000738125650 600175818 /nfs/dbraw/zinc/17/58/18/600175818.db2.gz ISLIRTXCIVOHAE-CQSZACIVSA-N -1 0 342.391 3.706 20 0 EHADRM CC(C)c1nccc(Oc2ccc(C(=O)[O-])cc2Br)n1 ZINC000736523543 600180063 /nfs/dbraw/zinc/18/00/63/600180063.db2.gz AANFJBIRBMQUCX-UHFFFAOYSA-N -1 0 337.173 3.853 20 0 EHADRM C[C@@H]1CCC[C@@H](CCNC(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC000736776192 600183231 /nfs/dbraw/zinc/18/32/31/600183231.db2.gz UKZMERYXIBLPJU-CABCVRRESA-N -1 0 348.443 3.878 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)C(C)C ZINC000738787246 600183721 /nfs/dbraw/zinc/18/37/21/600183721.db2.gz UYWGEFAAHQUBPV-HNNXBMFYSA-N -1 0 345.374 3.746 20 0 EHADRM CC(C)[C@@H](OC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000736558003 600193987 /nfs/dbraw/zinc/19/39/87/600193987.db2.gz YNVBPAXQZJUDAV-IINYFYTJSA-N -1 0 332.318 3.851 20 0 EHADRM C[C@H](CC(=O)OCc1ccc(F)cc1C(=O)[O-])c1ccc(F)cc1 ZINC000736556186 600194029 /nfs/dbraw/zinc/19/40/29/600194029.db2.gz KTOVIKFIUKCWBP-LLVKDONJSA-N -1 0 334.318 3.900 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000354170490 600194196 /nfs/dbraw/zinc/19/41/96/600194196.db2.gz AADYQRIHNBDJSW-CYBMUJFWSA-N -1 0 345.420 3.517 20 0 EHADRM Cc1[nH]c(C(=O)N[C@H](C)c2ccc(F)cc2Cl)c(C)c1C(=O)[O-] ZINC000738156447 600198332 /nfs/dbraw/zinc/19/83/32/600198332.db2.gz RZKSHKKHWMNPJH-MRVPVSSYSA-N -1 0 338.766 3.613 20 0 EHADRM C/C(=C/C(=O)Nc1ccc(CCC(=O)[O-])cc1)c1cccc(F)c1 ZINC000236672436 600202071 /nfs/dbraw/zinc/20/20/71/600202071.db2.gz JGDFTBOIRRIZSR-QBFSEMIESA-N -1 0 327.355 3.885 20 0 EHADRM C[C@@H](CC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)C(=O)c1ccccc1 ZINC000736549414 600202870 /nfs/dbraw/zinc/20/28/70/600202870.db2.gz VCIBYWWKTIMMBG-NSHDSACASA-N -1 0 345.782 3.886 20 0 EHADRM C[C@H](OC(=O)Cc1c[nH]c2ccc(F)cc12)c1ccc(C(=O)[O-])cc1 ZINC000738228548 600203226 /nfs/dbraw/zinc/20/32/26/600203226.db2.gz YIVODYAHBTZBCQ-NSHDSACASA-N -1 0 341.338 3.852 20 0 EHADRM Cc1ccc(OC(F)F)c([C@@H](C)OC(=O)CCCN(C)C(=O)[O-])c1 ZINC000738636826 600204049 /nfs/dbraw/zinc/20/40/49/600204049.db2.gz DQWPPBCVJXVTQW-LLVKDONJSA-N -1 0 345.342 3.591 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)C[C@@H](C)c1cccc(F)c1 ZINC000737865914 600205659 /nfs/dbraw/zinc/20/56/59/600205659.db2.gz LQLARQFUVMGFEZ-LLVKDONJSA-N -1 0 332.327 3.632 20 0 EHADRM O=C([O-])CCC(=O)N[C@H](c1ccccc1)c1cccc2ccccc21 ZINC000517908468 600207242 /nfs/dbraw/zinc/20/72/42/600207242.db2.gz ZDIHMUOPJQFWPO-OAQYLSRUSA-N -1 0 333.387 3.910 20 0 EHADRM C[C@H](CC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1)c1cccc(F)c1 ZINC000262629937 600207530 /nfs/dbraw/zinc/20/75/30/600207530.db2.gz OCVUCSDSVVJHSL-SJKOYZFVSA-N -1 0 347.361 3.791 20 0 EHADRM Cc1cc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)ccc1C(=O)[O-] ZINC000237822012 600207933 /nfs/dbraw/zinc/20/79/33/600207933.db2.gz YFJZBSWOJJTCBV-OLZOCXBDSA-N -1 0 331.318 3.714 20 0 EHADRM Cc1oc(-c2cccs2)nc1CN(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000738955193 600211095 /nfs/dbraw/zinc/21/10/95/600211095.db2.gz CSPZYNPWYRBJJA-MRXNPFEDSA-N -1 0 342.420 3.969 20 0 EHADRM CC(C)C[C@@H](C)CC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736404203 600212949 /nfs/dbraw/zinc/21/29/49/600212949.db2.gz VANNYQXJXKWSPT-SNVBAGLBSA-N -1 0 329.343 3.997 20 0 EHADRM Cc1ccc([C@@H]2CSCCN2C(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000237904415 600213908 /nfs/dbraw/zinc/21/39/08/600213908.db2.gz CPGDJJJSOWNLTL-ZDUSSCGKSA-N -1 0 347.461 3.685 20 0 EHADRM Cc1ccc(-c2cc(CN(C)[C@@H](C(=O)[O-])c3ccccc3)on2)cc1 ZINC000738487588 600215544 /nfs/dbraw/zinc/21/55/44/600215544.db2.gz BSJZSOISOQDNDV-LJQANCHMSA-N -1 0 336.391 3.908 20 0 EHADRM Cc1ccc(SCC(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c(C)c1 ZINC000262849820 600220770 /nfs/dbraw/zinc/22/07/70/600220770.db2.gz WPEANNUYIOXOLU-OAHLLOKOSA-N -1 0 341.432 3.611 20 0 EHADRM CCSCc1ccc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000192955201 600222985 /nfs/dbraw/zinc/22/29/85/600222985.db2.gz FMOVPYGSLOPQSO-INIZCTEOSA-N -1 0 341.432 3.768 20 0 EHADRM CCc1cccc(CC)c1S(=O)(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000737267197 600225624 /nfs/dbraw/zinc/22/56/24/600225624.db2.gz MTSURLRTCWMJMB-UHFFFAOYSA-N -1 0 349.408 3.669 20 0 EHADRM C[C@@H]1CC[C@@H](NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)[C@@H](C)C1 ZINC000320694320 600227074 /nfs/dbraw/zinc/22/70/74/600227074.db2.gz ORUKVASHDJPWSF-VYUIOLGVSA-N -1 0 326.343 3.609 20 0 EHADRM CCC1=C(C(=O)[O-])[C@H](c2ccsc2)NC(=O)N1Cc1cccs1 ZINC000736932451 600228274 /nfs/dbraw/zinc/22/82/74/600228274.db2.gz QQLQYBAIVMGGDJ-AWEZNQCLSA-N -1 0 348.449 3.825 20 0 EHADRM O=C([O-])C1CCN(C(=O)Nc2ccc(OC3CCCCC3)cc2)CC1 ZINC000571864966 600241893 /nfs/dbraw/zinc/24/18/93/600241893.db2.gz KFXNBRCGJWDVJQ-UHFFFAOYSA-N -1 0 346.427 3.727 20 0 EHADRM CC1(NC(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)CCCCC1 ZINC000736738530 600241926 /nfs/dbraw/zinc/24/19/26/600241926.db2.gz NMNLSMNHZCWZKO-UHFFFAOYSA-N -1 0 342.342 3.831 20 0 EHADRM CC(C)(C(=O)NCCc1ccc(C(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000236709607 600246372 /nfs/dbraw/zinc/24/63/72/600246372.db2.gz YPFDFHPFVPZLAF-UHFFFAOYSA-N -1 0 345.826 3.675 20 0 EHADRM Cc1ccc2oc(SCC(=O)Nc3ccsc3C(=O)[O-])nc2c1 ZINC000738679908 600248135 /nfs/dbraw/zinc/24/81/35/600248135.db2.gz FIGYUMZBFPGPMB-UHFFFAOYSA-N -1 0 348.405 3.627 20 0 EHADRM Cc1ccc(N2CCCC2)c(C(=O)Nc2cccc(C(=O)[O-])c2C)c1 ZINC000738615455 600249677 /nfs/dbraw/zinc/24/96/77/600249677.db2.gz PBNPLQJJTQIYOX-UHFFFAOYSA-N -1 0 338.407 3.854 20 0 EHADRM O=C([O-])COc1cccc(C(=O)N2CCCCC[C@H]2c2ccco2)c1 ZINC000262212984 600253358 /nfs/dbraw/zinc/25/33/58/600253358.db2.gz WCMMEIPTRWZIPZ-INIZCTEOSA-N -1 0 343.379 3.501 20 0 EHADRM CC[C@@H](C)[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC000392261381 600254487 /nfs/dbraw/zinc/25/44/87/600254487.db2.gz HVCOFTPLQQILKH-MNEFBYGVSA-N -1 0 339.435 3.628 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)NCCSCCC(=O)[O-])cc1 ZINC000738488880 600255097 /nfs/dbraw/zinc/25/50/97/600255097.db2.gz WNDNVGPARZXGDI-UHFFFAOYSA-N -1 0 349.477 3.661 20 0 EHADRM Cc1cc(NC(=O)c2ccc(-c3ccsc3)nc2C)c(C(=O)[O-])[nH]1 ZINC000738449661 600255231 /nfs/dbraw/zinc/25/52/31/600255231.db2.gz YNAQUDCZPUQQSJ-UHFFFAOYSA-N -1 0 341.392 3.706 20 0 EHADRM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000237577908 600258677 /nfs/dbraw/zinc/25/86/77/600258677.db2.gz UHGSPWSSLQJQPR-ZYHUDNBSSA-N -1 0 333.384 3.604 20 0 EHADRM Cc1cc(F)cc2[nH]c(C(=O)O[C@@H](C)c3ccc(C(=O)[O-])o3)cc21 ZINC000738396339 600268052 /nfs/dbraw/zinc/26/80/52/600268052.db2.gz CQYQNQYBRDWRNJ-VIFPVBQESA-N -1 0 331.299 3.825 20 0 EHADRM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000736758598 600275069 /nfs/dbraw/zinc/27/50/69/600275069.db2.gz DYFVUFWIBVJHGF-DOMZBBRYSA-N -1 0 342.370 3.934 20 0 EHADRM Cc1nc(C(C)(C)NC(=O)Nc2cccc(C(=O)[O-])c2C)sc1C ZINC000738842043 600275754 /nfs/dbraw/zinc/27/57/54/600275754.db2.gz ZNZODBCMWWCCTM-UHFFFAOYSA-N -1 0 347.440 3.823 20 0 EHADRM CSCC[C@@H](C)N(C)C(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000161720232 600276895 /nfs/dbraw/zinc/27/68/95/600276895.db2.gz RYSDXQMIDGIPOM-MRVPVSSYSA-N -1 0 330.475 3.668 20 0 EHADRM CCc1ccc(CCNC(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000737260237 600278271 /nfs/dbraw/zinc/27/82/71/600278271.db2.gz GMGAFPVTSWDDOO-UHFFFAOYSA-N -1 0 340.423 3.630 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NC2(c3ccccc3F)CC2)cc1Cl ZINC000739465293 600280245 /nfs/dbraw/zinc/28/02/45/600280245.db2.gz WWQRVOSGOAUXMQ-UHFFFAOYSA-N -1 0 348.761 3.988 20 0 EHADRM Cn1cccc1[C@H]1CCCN1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000739041779 600281390 /nfs/dbraw/zinc/28/13/90/600281390.db2.gz ANNIUQWRXPWVMY-OAHLLOKOSA-N -1 0 347.802 3.746 20 0 EHADRM CCCOc1cccc(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)c1 ZINC000737034100 600283551 /nfs/dbraw/zinc/28/35/51/600283551.db2.gz BXNWSEKKEUBRSA-UHFFFAOYSA-N -1 0 342.395 3.838 20 0 EHADRM CN(Cc1ccc(NC(=O)c2cccc3ncccc32)cc1)C(=O)[O-] ZINC000737485329 600286712 /nfs/dbraw/zinc/28/67/12/600286712.db2.gz IJNFBQNWYNFCLW-UHFFFAOYSA-N -1 0 335.363 3.597 20 0 EHADRM CN(Cc1ccc(NC(=O)c2ccc(F)cc2Cl)cc1)C(=O)[O-] ZINC000737485471 600287346 /nfs/dbraw/zinc/28/73/46/600287346.db2.gz PNOAMCKGVRJISO-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1cccc(F)c1 ZINC000736547420 600290638 /nfs/dbraw/zinc/29/06/38/600290638.db2.gz BFZROFIHDXGOFM-LBPRGKRZSA-N -1 0 330.359 3.726 20 0 EHADRM CCc1cc(Nc2ccc(CNC(=O)[O-])cc2)nc(-c2ccccn2)n1 ZINC000737252367 600314122 /nfs/dbraw/zinc/31/41/22/600314122.db2.gz NLBCZYYNRHUQHD-UHFFFAOYSA-N -1 0 349.394 3.612 20 0 EHADRM COc1ccc(CCC(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000737986482 600320515 /nfs/dbraw/zinc/32/05/15/600320515.db2.gz AVAUGLYQQJZQKR-QGZVFWFLSA-N -1 0 348.782 3.650 20 0 EHADRM C[C@@H](Nc1ccc(CN(C)C(=O)[O-])cc1)c1nc(C(C)(C)C)no1 ZINC000736674639 600326148 /nfs/dbraw/zinc/32/61/48/600326148.db2.gz ZKMXWBNVOQNMMA-LLVKDONJSA-N -1 0 332.404 3.650 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccc2ncccc2c1)c1cccc(Cl)c1 ZINC000740297380 600328328 /nfs/dbraw/zinc/32/83/28/600328328.db2.gz FSERULMUYDKNFE-MRXNPFEDSA-N -1 0 341.750 3.871 20 0 EHADRM CN(Cc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1)C(=O)[O-] ZINC000737480756 600329100 /nfs/dbraw/zinc/32/91/00/600329100.db2.gz SKXXVCUWIXYTNG-UHFFFAOYSA-N -1 0 335.310 3.719 20 0 EHADRM CC[C@H](Nc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000736925046 600330734 /nfs/dbraw/zinc/33/07/34/600330734.db2.gz PTSHOMJVJXRGDZ-JKSUJKDBSA-N -1 0 347.798 3.900 20 0 EHADRM COc1cc(C)sc1C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737875069 600331568 /nfs/dbraw/zinc/33/15/68/600331568.db2.gz YHADRAISMBDCJV-GFCCVEGCSA-N -1 0 340.784 3.701 20 0 EHADRM Cc1ccc(NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cc1F ZINC000738627531 600334764 /nfs/dbraw/zinc/33/47/64/600334764.db2.gz QGURHNMYLWKJMG-UHFFFAOYSA-N -1 0 331.347 3.888 20 0 EHADRM Cc1ccc(F)cc1NC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000738606904 600334836 /nfs/dbraw/zinc/33/48/36/600334836.db2.gz TWFRXLHMPNZONX-UHFFFAOYSA-N -1 0 331.347 3.888 20 0 EHADRM CC(C)C[C@@H](NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccccc1 ZINC000736414005 600340951 /nfs/dbraw/zinc/34/09/51/600340951.db2.gz FSWIAJXPPBVHKB-DLBZAZTESA-N -1 0 344.455 3.670 20 0 EHADRM C[C@@H]1CCC[C@H](CNC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C1 ZINC000736774384 600347379 /nfs/dbraw/zinc/34/73/79/600347379.db2.gz GTTROKPAQLYMIC-HIFRSBDPSA-N -1 0 333.432 3.744 20 0 EHADRM C[C@@H](CCNC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccccc1 ZINC000736560226 600349872 /nfs/dbraw/zinc/34/98/72/600349872.db2.gz CTQGFMGUYCOAFO-AWEZNQCLSA-N -1 0 341.411 3.770 20 0 EHADRM Cc1oc(CSCc2cc3ccccc3[nH]c2=O)cc1C(=O)[O-] ZINC000738974352 600350936 /nfs/dbraw/zinc/35/09/36/600350936.db2.gz FRCCMTUDGYVZPH-UHFFFAOYSA-N -1 0 329.377 3.973 20 0 EHADRM C[C@H]1CCC[C@H](CCNC(=O)Nc2ccc(CNC(=O)[O-])cc2)C1 ZINC000736774163 600353325 /nfs/dbraw/zinc/35/33/25/600353325.db2.gz GTJHFPWJMIPOJG-UONOGXRCSA-N -1 0 333.432 3.792 20 0 EHADRM CCCCc1oc2ccccc2c1/C=C\C(=O)OCCNC(=O)[O-] ZINC000737002945 600354592 /nfs/dbraw/zinc/35/45/92/600354592.db2.gz DTLCXPBITUPNJC-KTKRTIGZSA-N -1 0 331.368 3.599 20 0 EHADRM Cc1cc(C(=O)OCCNC(=O)[O-])sc1-c1cccc(Cl)c1 ZINC000738352832 600358084 /nfs/dbraw/zinc/35/80/84/600358084.db2.gz TYUGYZLCBCJPLW-UHFFFAOYSA-N -1 0 339.800 3.801 20 0 EHADRM O=C([O-])c1ccc(-c2noc(CCc3cc(Cl)cs3)n2)cc1 ZINC000740101675 600362046 /nfs/dbraw/zinc/36/20/46/600362046.db2.gz REQIRODKVGKWLG-UHFFFAOYSA-N -1 0 334.784 3.935 20 0 EHADRM CCc1cccc(NC(=S)NCCc2ccc(NC(=O)[O-])cc2)c1 ZINC000737269402 600366439 /nfs/dbraw/zinc/36/64/39/600366439.db2.gz CNMREBBEEZHHCH-UHFFFAOYSA-N -1 0 343.452 3.868 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)Nc2nc(C)c(C(=O)[O-])s2)cc1 ZINC000737257429 600368006 /nfs/dbraw/zinc/36/80/06/600368006.db2.gz OQYJHZBJNPWGRA-SNVBAGLBSA-N -1 0 332.425 3.844 20 0 EHADRM Cc1cc(NC(=O)c2cnc(-c3ccccn3)s2)sc1C(=O)[O-] ZINC000738239902 600368847 /nfs/dbraw/zinc/36/88/47/600368847.db2.gz LAYHABWTYCYXDW-UHFFFAOYSA-N -1 0 345.405 3.526 20 0 EHADRM Cc1cc(NC(=O)c2sccc2OC(F)F)sc1C(=O)[O-] ZINC000738240541 600370721 /nfs/dbraw/zinc/37/07/21/600370721.db2.gz OFOZVECYSKXXRO-UHFFFAOYSA-N -1 0 333.337 3.670 20 0 EHADRM O=C([O-])[C@@H](Sc1nnc(-c2ccncc2)o1)c1cccc(Cl)c1 ZINC000739513967 600378290 /nfs/dbraw/zinc/37/82/90/600378290.db2.gz UBAXCNVUJUXFHY-LBPRGKRZSA-N -1 0 347.783 3.703 20 0 EHADRM O=C([O-])[C@H](Sc1nnc2n1CCCCC2)c1cccc(Cl)c1 ZINC000739513318 600378442 /nfs/dbraw/zinc/37/84/42/600378442.db2.gz SEKSHVJBSSQNBN-CYBMUJFWSA-N -1 0 337.832 3.576 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)CCCc1ccccc1)c1ccccc1 ZINC000736850686 600379282 /nfs/dbraw/zinc/37/92/82/600379282.db2.gz XZQWQVFZCXCZNX-GOSISDBHSA-N -1 0 325.408 3.906 20 0 EHADRM O=C([O-])c1cc(NC(=O)C[C@@H]2CCOc3ccccc32)c(F)cc1F ZINC000739220584 600381636 /nfs/dbraw/zinc/38/16/36/600381636.db2.gz AHSXDVSGJFCIDF-JTQLQIEISA-N -1 0 347.317 3.558 20 0 EHADRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)/C=C\C1CCCCC1 ZINC000739794121 600382084 /nfs/dbraw/zinc/38/20/84/600382084.db2.gz SQFNERADQXSGQZ-FLIBITNWSA-N -1 0 335.831 3.890 20 0 EHADRM CC(C)=C[C@H]1[C@H](C(=O)NCCc2ccc(NC(=O)[O-])cc2)C1(C)C ZINC000736344245 600382792 /nfs/dbraw/zinc/38/27/92/600382792.db2.gz XBGQCLGXEOXTBB-JKSUJKDBSA-N -1 0 330.428 3.674 20 0 EHADRM CCCN(Cc1ccccc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000383603340 600383741 /nfs/dbraw/zinc/38/37/41/600383741.db2.gz VSWZBXIPMIDAMI-UHFFFAOYSA-N -1 0 330.359 3.968 20 0 EHADRM CCc1[nH]c(C(=O)NC2(C(F)(F)F)CCCCC2)c(C)c1C(=O)[O-] ZINC000737243333 600384035 /nfs/dbraw/zinc/38/40/35/600384035.db2.gz XYANRXKPMZKUBE-UHFFFAOYSA-N -1 0 346.349 3.579 20 0 EHADRM O=C([O-])c1cc(NC(=O)N(Cc2ccccc2F)C2CC2)ccc1F ZINC000740080089 600386023 /nfs/dbraw/zinc/38/60/23/600386023.db2.gz BUHDEEMKAMXGFQ-UHFFFAOYSA-N -1 0 346.333 3.860 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)C(F)(F)c1ccccc1)c1ccccc1 ZINC000736850583 600387350 /nfs/dbraw/zinc/38/73/50/600387350.db2.gz XBFQFAHCPDBHSN-OAHLLOKOSA-N -1 0 333.334 3.675 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1cc2c(s1)CCC2)c1ccccc1 ZINC000736850596 600388351 /nfs/dbraw/zinc/38/83/51/600388351.db2.gz BJZCCDJIOQQESA-AWEZNQCLSA-N -1 0 329.421 3.747 20 0 EHADRM CCSc1ccc(C(=O)N(c2ccccc2)[C@H](CC)C(=O)[O-])cn1 ZINC000737232122 600388731 /nfs/dbraw/zinc/38/87/31/600388731.db2.gz ZAAPKJFHGVGPIX-OAHLLOKOSA-N -1 0 344.436 3.704 20 0 EHADRM O=C([O-])c1cc(NC(=O)N(Cc2cccs2)C2CC2)ccc1F ZINC000321084858 600389391 /nfs/dbraw/zinc/38/93/91/600389391.db2.gz FHDMENMVTKOWIA-UHFFFAOYSA-N -1 0 334.372 3.782 20 0 EHADRM O=C([O-])c1cn(CC(=O)Oc2cc(Cl)ccc2F)c2ccccc12 ZINC000739357159 600390997 /nfs/dbraw/zinc/39/09/97/600390997.db2.gz XKHKBBWHUHHUIS-UHFFFAOYSA-N -1 0 347.729 3.738 20 0 EHADRM C/C(=C/C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1)C1CC1 ZINC000236662809 600391374 /nfs/dbraw/zinc/39/13/74/600391374.db2.gz KTXJGWOHJPXSFF-QAAVPBIRSA-N -1 0 329.440 3.972 20 0 EHADRM Cc1occc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000237671575 600392455 /nfs/dbraw/zinc/39/24/55/600392455.db2.gz RVGUPPFCGMJQHU-INIZCTEOSA-N -1 0 329.396 3.831 20 0 EHADRM COc1ccc(C)cc1[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000737975075 600395205 /nfs/dbraw/zinc/39/52/05/600395205.db2.gz FQUJZXOHSMKKSM-LLVKDONJSA-N -1 0 346.358 3.724 20 0 EHADRM Cc1cccc([C@H]2CCCCCN2C(=O)c2cccc(C(=O)[O-])n2)c1 ZINC000362532954 600395995 /nfs/dbraw/zinc/39/59/95/600395995.db2.gz KDJNWHSDYZHVDA-GOSISDBHSA-N -1 0 338.407 3.846 20 0 EHADRM Cc1ccccc1[C@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000738769459 600396380 /nfs/dbraw/zinc/39/63/80/600396380.db2.gz QECIQEZEMONVSO-AWEZNQCLSA-N -1 0 342.370 3.854 20 0 EHADRM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000567359142 600397317 /nfs/dbraw/zinc/39/73/17/600397317.db2.gz LKPNVHIYMKBIBX-IRXDYDNUSA-N -1 0 349.789 3.678 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC000675986488 600400002 /nfs/dbraw/zinc/40/00/02/600400002.db2.gz JNDCOUSSAFYGOM-HZMBPMFUSA-N -1 0 345.361 3.815 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccc(F)cc1 ZINC000736598248 600403493 /nfs/dbraw/zinc/40/34/93/600403493.db2.gz KDAIOHOGFZFCFY-SNVBAGLBSA-N -1 0 334.322 3.588 20 0 EHADRM C[C@H]1Cc2ccccc2[C@H]1NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000736825648 600403599 /nfs/dbraw/zinc/40/35/99/600403599.db2.gz OJMBCTPLVOZIQM-DJJJIMSYSA-N -1 0 338.407 3.759 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)Oc2ccc(CC(=O)[O-])cc2)s1 ZINC000738465672 600403625 /nfs/dbraw/zinc/40/36/25/600403625.db2.gz XVUPMFJQUPLQSQ-UHFFFAOYSA-N -1 0 342.319 3.504 20 0 EHADRM C[C@H](CC1CCCC1)C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC000736562783 600404219 /nfs/dbraw/zinc/40/42/19/600404219.db2.gz NBFSRCWBZUWAFH-SNVBAGLBSA-N -1 0 347.440 3.991 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2Cc3ccccc3C2)c(OC(F)F)c1 ZINC000740150141 600405277 /nfs/dbraw/zinc/40/52/77/600405277.db2.gz KRHSWDWHIJUFBP-UHFFFAOYSA-N -1 0 348.305 3.534 20 0 EHADRM Cc1nn(C)c(C)c1[C@H]1CCCN1[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000738907776 600408584 /nfs/dbraw/zinc/40/85/84/600408584.db2.gz AXULGMFVNHIOSX-WBVHZDCISA-N -1 0 347.846 3.653 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(Nc3ccccc3)c2)cn1 ZINC000190616930 600414259 /nfs/dbraw/zinc/41/42/59/600414259.db2.gz TWWVVIHOUVJMCZ-UHFFFAOYSA-N -1 0 333.347 3.776 20 0 EHADRM CC[C@@H](c1nn(CN(CC)CCC(=O)[O-])c(=S)o1)c1ccccc1 ZINC000736929054 600422133 /nfs/dbraw/zinc/42/21/33/600422133.db2.gz NOFLGKNHGUPULS-CQSZACIVSA-N -1 0 349.456 3.502 20 0 EHADRM CCCc1c(C(=O)NCc2coc3ccccc23)[nH]c(C)c1C(=O)[O-] ZINC000737039644 600424351 /nfs/dbraw/zinc/42/43/51/600424351.db2.gz GILPCTMBMMSTHB-UHFFFAOYSA-N -1 0 340.379 3.650 20 0 EHADRM Cc1cc(O[C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccn2)ccc1C(C)C ZINC000738464715 600429711 /nfs/dbraw/zinc/42/97/11/600429711.db2.gz MHFCYFBATSRJIX-ZDUSSCGKSA-N -1 0 342.395 3.618 20 0 EHADRM C[C@@H](NC(=O)NCCCCC(=O)[O-])c1cccc(Cl)c1Cl ZINC000666529806 600439783 /nfs/dbraw/zinc/43/97/83/600439783.db2.gz UOJIFXZQOTWZHJ-SECBINFHSA-N -1 0 333.215 3.609 20 0 EHADRM CCc1ccc([C@H]2CCCN2C(=O)Nc2cccc(C(=O)[O-])c2)o1 ZINC000737258273 600439807 /nfs/dbraw/zinc/43/98/07/600439807.db2.gz AJFUSLAGDFHLMH-OAHLLOKOSA-N -1 0 328.368 3.909 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cc2c(s1)CCCC2)c1ccc(F)cc1 ZINC000740291630 600444156 /nfs/dbraw/zinc/44/41/56/600444156.db2.gz MWMRWVWUISLXAS-HNNXBMFYSA-N -1 0 334.368 3.749 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000740289919 600444458 /nfs/dbraw/zinc/44/44/58/600444458.db2.gz HMZWASXXPQFLRP-CYBMUJFWSA-N -1 0 342.244 3.827 20 0 EHADRM CCOc1ccccc1CCC(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737210162 600445970 /nfs/dbraw/zinc/44/59/70/600445970.db2.gz AXKJQTYXIGUOIX-GOSISDBHSA-N -1 0 346.354 3.526 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=S)NCC(F)(F)F)s1 ZINC000736295172 600446125 /nfs/dbraw/zinc/44/61/25/600446125.db2.gz VOMCKZUHGUUWOB-UHFFFAOYSA-N -1 0 340.392 3.593 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccc(-n2cccc2)cc1)c1ccc(F)cc1 ZINC000740294389 600448890 /nfs/dbraw/zinc/44/88/90/600448890.db2.gz YIINCICUICDDFA-QGZVFWFLSA-N -1 0 339.322 3.599 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(Oc3ccncc3)c2)cc1 ZINC000191593584 600449790 /nfs/dbraw/zinc/44/97/90/600449790.db2.gz FQDPDQHHJXYULO-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM C/C(=C\C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(F)cc1 ZINC000736121002 600453343 /nfs/dbraw/zinc/45/33/43/600453343.db2.gz NUVRGMVATLSVLZ-DVQDXYAYSA-N -1 0 332.302 3.737 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)OC(=O)[C@@H](C)CC2CCCC2)c(C)c1C(=O)[O-] ZINC000738238816 600453848 /nfs/dbraw/zinc/45/38/48/600453848.db2.gz ZGDFDRZPVVUCIC-GWCFXTLKSA-N -1 0 349.427 3.661 20 0 EHADRM COc1ccc(CCCC(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000737992105 600453894 /nfs/dbraw/zinc/45/38/94/600453894.db2.gz HJOUTFSBWAWLDX-GOSISDBHSA-N -1 0 346.354 3.526 20 0 EHADRM CSc1ccsc1C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738212055 600455888 /nfs/dbraw/zinc/45/58/88/600455888.db2.gz ZGBPDMIHWYQWCN-LLVKDONJSA-N -1 0 326.370 3.592 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)OC(=O)/C=C/C2CCCCC2)c(C)c1C(=O)[O-] ZINC000738236847 600458331 /nfs/dbraw/zinc/45/83/31/600458331.db2.gz PUONBCKNDYIOFJ-LXKVQUBZSA-N -1 0 347.411 3.581 20 0 EHADRM CCCC[C@H]1CCC[C@@H]1NC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736985222 600458987 /nfs/dbraw/zinc/45/89/87/600458987.db2.gz MVHKNZWNHGZQSZ-RDJZCZTQSA-N -1 0 347.459 3.977 20 0 EHADRM CCCC[C@@H]1CCC[C@H]1NC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736985217 600459051 /nfs/dbraw/zinc/45/90/51/600459051.db2.gz MVHKNZWNHGZQSZ-NVXWUHKLSA-N -1 0 347.459 3.977 20 0 EHADRM CCC[C@H]1CCCC[C@@H]1NC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736972766 600459074 /nfs/dbraw/zinc/45/90/74/600459074.db2.gz GKDHLVRNABAZAY-RDJZCZTQSA-N -1 0 347.459 3.977 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)cc1 ZINC000736903677 600466266 /nfs/dbraw/zinc/46/62/66/600466266.db2.gz ARPJFRUKYXJXSY-YJBOKZPZSA-N -1 0 347.455 3.934 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)cc1 ZINC000736903676 600466287 /nfs/dbraw/zinc/46/62/87/600466287.db2.gz ARPJFRUKYXJXSY-QAPCUYQASA-N -1 0 347.455 3.934 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)NC2(c3ccc(Cl)cc3)CC2)c1 ZINC000739462602 600468651 /nfs/dbraw/zinc/46/86/51/600468651.db2.gz KMUCNUGUVBCDFK-UHFFFAOYSA-N -1 0 348.761 3.988 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)NC1CCC(C(=O)[O-])CC1)C(C)C ZINC000263218197 600470353 /nfs/dbraw/zinc/47/03/53/600470353.db2.gz JZXXZWTVHLSYHG-VMBOVVBDSA-N -1 0 332.444 3.635 20 0 EHADRM Cc1oc(COC(=O)c2ccccc2OC2CCC2)cc1C(=O)[O-] ZINC000738984628 600474926 /nfs/dbraw/zinc/47/49/26/600474926.db2.gz WKWNKCNUYXBMLU-UHFFFAOYSA-N -1 0 330.336 3.575 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)[C@H]1CSc2ccccc21 ZINC000387448063 600475184 /nfs/dbraw/zinc/47/51/84/600475184.db2.gz QEYBGNXFDPYESQ-LBPRGKRZSA-N -1 0 333.796 3.866 20 0 EHADRM Cc1c(NC(=O)c2ccccc2OC2CCC2)cccc1C(=O)[O-] ZINC000738305074 600475412 /nfs/dbraw/zinc/47/54/12/600475412.db2.gz FBXPDAKPUDHGQV-UHFFFAOYSA-N -1 0 325.364 3.877 20 0 EHADRM Cc1ccc(C[C@@H](C)N(C)C(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000738585301 600475879 /nfs/dbraw/zinc/47/58/79/600475879.db2.gz UYXHSTKZSQRSCE-CYBMUJFWSA-N -1 0 344.386 3.927 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=S)Nc2ccccc2)cc1 ZINC000739686917 600476128 /nfs/dbraw/zinc/47/61/28/600476128.db2.gz FWFAVYRECDNDIC-UHFFFAOYSA-N -1 0 330.409 3.739 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000539573087 600478010 /nfs/dbraw/zinc/47/80/10/600478010.db2.gz GFEHHXXRDXWJDH-UHFFFAOYSA-N -1 0 347.798 3.963 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(F)c(F)c(F)c2)cc1Cl ZINC000238120682 600478380 /nfs/dbraw/zinc/47/83/80/600478380.db2.gz XCVTXBYCPDGUCQ-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM O=C([O-])c1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000238119289 600478412 /nfs/dbraw/zinc/47/84/12/600478412.db2.gz MEHSXFNWEZESNJ-FPYGCLRLSA-N -1 0 346.726 3.598 20 0 EHADRM CC[C@@H](C)[C@@H]1CCCCN1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736879971 600483391 /nfs/dbraw/zinc/48/33/91/600483391.db2.gz JRNWSJHXJKEJNX-CJNGLKHVSA-N -1 0 333.432 3.887 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cnc3ccccc3c2O)cc1Cl ZINC000324495234 600486380 /nfs/dbraw/zinc/48/63/80/600486380.db2.gz JREUWRJBAMLMLI-UHFFFAOYSA-N -1 0 342.738 3.544 20 0 EHADRM Cc1[nH]c(C(=O)N[C@@H](c2ccccc2C)C2CC2)c(C)c1C(=O)[O-] ZINC000738322185 600497071 /nfs/dbraw/zinc/49/70/71/600497071.db2.gz QFVMZGBMQSXKDG-QGZVFWFLSA-N -1 0 326.396 3.519 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)NCCOC2CCCCCC2)cc1 ZINC000739760708 600507445 /nfs/dbraw/zinc/50/74/45/600507445.db2.gz YZNWECSCERSIJS-UHFFFAOYSA-N -1 0 348.443 3.565 20 0 EHADRM CS[C@H]1CCC[C@H](NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000318637612 600508089 /nfs/dbraw/zinc/50/80/89/600508089.db2.gz CRJJQLFIBLPKIQ-ONGXEEELSA-N -1 0 342.848 3.834 20 0 EHADRM CCOc1ccccc1CNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000737211140 600510676 /nfs/dbraw/zinc/51/06/76/600510676.db2.gz MYDZDMNXRUPQQJ-UHFFFAOYSA-N -1 0 348.786 3.759 20 0 EHADRM CC(C)N(Cc1ccccn1)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000736472209 600511165 /nfs/dbraw/zinc/51/11/65/600511165.db2.gz NBEBLURAFAIWJW-UHFFFAOYSA-N -1 0 349.337 3.501 20 0 EHADRM COc1ccc(CN(C)C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000392063799 600514580 /nfs/dbraw/zinc/51/45/80/600514580.db2.gz DUVYFYYLWIUJAM-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CSC1=Nc2ccccc2C1 ZINC000738527784 600519618 /nfs/dbraw/zinc/51/96/18/600519618.db2.gz CKPWLOSXQQDQKB-UHFFFAOYSA-N -1 0 340.404 3.651 20 0 EHADRM CCN(C(=O)c1ccccc1Br)c1ccccc1C(=O)[O-] ZINC000737060267 600523598 /nfs/dbraw/zinc/52/35/98/600523598.db2.gz ZZOFUFLBUJFZJK-UHFFFAOYSA-N -1 0 348.196 3.814 20 0 EHADRM CCN(C(=O)CSc1ccc(OC)cc1)c1ccccc1C(=O)[O-] ZINC000737060884 600524053 /nfs/dbraw/zinc/52/40/53/600524053.db2.gz XXJQUQJBXATRMJ-UHFFFAOYSA-N -1 0 345.420 3.539 20 0 EHADRM CCN(C(=O)CCCOc1ccccc1)c1ccccc1C(=O)[O-] ZINC000737053343 600524438 /nfs/dbraw/zinc/52/44/38/600524438.db2.gz RQPXDWLYBXOJSF-UHFFFAOYSA-N -1 0 327.380 3.597 20 0 EHADRM CS[C@H](C(=O)Nc1ccc(OCC(=O)[O-])cc1C)c1ccccc1 ZINC000738182180 600524600 /nfs/dbraw/zinc/52/46/00/600524600.db2.gz RBJIJRYWENJPOO-KRWDZBQOSA-N -1 0 345.420 3.501 20 0 EHADRM O=C([O-])c1ccc(CNCc2cc(Cl)ccc2OC(F)F)o1 ZINC000740133050 600525073 /nfs/dbraw/zinc/52/50/73/600525073.db2.gz SBCHSEBEIWPFBH-UHFFFAOYSA-N -1 0 331.702 3.522 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N[C@H]1C[C@H](C)C[C@H](C)C1)C(=O)[O-] ZINC000630292731 600530182 /nfs/dbraw/zinc/53/01/82/600530182.db2.gz FBFWZMLEPOBEHG-RQJABVFESA-N -1 0 335.469 3.806 20 0 EHADRM CC(C)(C)c1ccc2cc(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)[nH]c2c1 ZINC000736298854 600530405 /nfs/dbraw/zinc/53/04/05/600530405.db2.gz GHISJRBLSDGJOU-HNNXBMFYSA-N -1 0 330.428 3.695 20 0 EHADRM C[C@@H]1CCC[C@H](OCC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000676001874 600533973 /nfs/dbraw/zinc/53/39/73/600533973.db2.gz CFAVNYVMSOFKGI-PWSUYJOCSA-N -1 0 325.792 3.572 20 0 EHADRM CC1(C)CCCN(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC000736733008 600547764 /nfs/dbraw/zinc/54/77/64/600547764.db2.gz XREOYRCICMRJCT-UHFFFAOYSA-N -1 0 342.342 3.640 20 0 EHADRM CCN(C(=O)Nc1ccc(C(=O)[O-])cc1F)[C@H](C)c1cccc(O)c1 ZINC000737059786 600551865 /nfs/dbraw/zinc/55/18/65/600551865.db2.gz HQRKEMOZTJOJSM-LLVKDONJSA-N -1 0 346.358 3.845 20 0 EHADRM C[C@@H]1CCCC[C@@H]1OCC(=O)Oc1ccc(Cl)cc1C(=O)[O-] ZINC000736785804 600553955 /nfs/dbraw/zinc/55/39/55/600553955.db2.gz RSDIDTDZAXDSMY-MFKMUULPSA-N -1 0 326.776 3.539 20 0 EHADRM CC(C)[C@H](C)C(=O)N(Cc1ccoc1C(=O)[O-])[C@H](C)c1ccccn1 ZINC000736349509 600554998 /nfs/dbraw/zinc/55/49/98/600554998.db2.gz MZBMNDGINRFTMQ-UONOGXRCSA-N -1 0 344.411 3.755 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)CCCOc1cccc2ccccc21 ZINC000236726810 600558581 /nfs/dbraw/zinc/55/85/81/600558581.db2.gz BJMBEKHUGUDJKS-UHFFFAOYSA-N -1 0 343.423 3.711 20 0 EHADRM O=C([O-])c1cc(NC(=O)C2(c3cccc(F)c3)CC2)ccc1Cl ZINC000676001056 600569601 /nfs/dbraw/zinc/56/96/01/600569601.db2.gz HHFJCXRZXHNKBQ-UHFFFAOYSA-N -1 0 333.746 3.848 20 0 EHADRM CCC[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)[O-] ZINC000736969884 600577268 /nfs/dbraw/zinc/57/72/68/600577268.db2.gz IRSPFRKTOUJKLD-OAHLLOKOSA-N -1 0 326.396 3.918 20 0 EHADRM CC(C)[C@@H](S[C@@H](C)CC(=O)[O-])C(=O)NC1CCCCCCC1 ZINC000736549332 600586857 /nfs/dbraw/zinc/58/68/57/600586857.db2.gz JJOAGQORKDIPSM-XJKSGUPXSA-N -1 0 329.506 3.837 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1 ZINC000325364993 600587285 /nfs/dbraw/zinc/58/72/85/600587285.db2.gz ALLHMWBPMXLGIG-UHFFFAOYSA-N -1 0 348.742 3.518 20 0 EHADRM CC[C@H](Nc1ccccc1)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000736924841 600588804 /nfs/dbraw/zinc/58/88/04/600588804.db2.gz PQQDJSZNNOYGRX-ROUUACIJSA-N -1 0 340.423 3.599 20 0 EHADRM Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)CCC(=O)[O-])c(C)c1 ZINC000577876468 600589373 /nfs/dbraw/zinc/58/93/73/600589373.db2.gz ZFNKKGBEEIBOMA-UHFFFAOYSA-N -1 0 343.427 3.590 20 0 EHADRM C[C@@H](CN(C)C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC000237400859 600593893 /nfs/dbraw/zinc/59/38/93/600593893.db2.gz DJAPFECUSKEHDE-OANVXVOSSA-N -1 0 347.411 3.747 20 0 EHADRM CN(C(=O)Cc1csc2ccccc12)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737325903 600596545 /nfs/dbraw/zinc/59/65/45/600596545.db2.gz OZICIAKXMVQSBM-GOSISDBHSA-N -1 0 339.416 3.728 20 0 EHADRM C[C@H](CS[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000736620686 600600078 /nfs/dbraw/zinc/60/00/78/600600078.db2.gz YGGLUGIJOPTKEQ-SFYZADRCSA-N -1 0 336.240 3.774 20 0 EHADRM C[C@@H](CSCc1ccc(C(=O)Nc2ccccc2)cc1)C(=O)[O-] ZINC000736613752 600601946 /nfs/dbraw/zinc/60/19/46/600601946.db2.gz OUFZEBOQQUOINJ-ZDUSSCGKSA-N -1 0 329.421 3.893 20 0 EHADRM O=C([O-])CN(C(=O)CCOc1ccc2ccccc2c1)c1ccccc1 ZINC000739784995 600604141 /nfs/dbraw/zinc/60/41/41/600604141.db2.gz NVZYERJCZQLWFM-UHFFFAOYSA-N -1 0 349.386 3.727 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)CC1CCCC1)Cc1ccc2ccccc2c1 ZINC000238156670 600604544 /nfs/dbraw/zinc/60/45/44/600604544.db2.gz DLNFPTIAJXVHGA-LJQANCHMSA-N -1 0 339.435 3.780 20 0 EHADRM Cc1cccc(C(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])c1 ZINC000237916122 600607445 /nfs/dbraw/zinc/60/74/45/600607445.db2.gz HGKTXUIKFBAOPV-FQEVSTJZSA-N -1 0 347.414 3.822 20 0 EHADRM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000237224227 600608784 /nfs/dbraw/zinc/60/87/84/600608784.db2.gz CTQQVIWMXXMBAA-MEDUHNTESA-N -1 0 347.798 3.544 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)c1coc2ccccc12)C(=O)[O-] ZINC000348410952 600617583 /nfs/dbraw/zinc/61/75/83/600617583.db2.gz SUITYTDTSPQBFH-CQSZACIVSA-N -1 0 337.375 3.796 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)Cc2ccc3c(c2)CCC3)c1 ZINC000322896514 600620655 /nfs/dbraw/zinc/62/06/55/600620655.db2.gz GIQCKNDWNFRIGK-UHFFFAOYSA-N -1 0 329.783 3.708 20 0 EHADRM Cc1c(Cl)c(C(=O)[O-])nn1CN1CCC[C@@](C)(c2ccccc2)C1 ZINC000738287250 600636955 /nfs/dbraw/zinc/63/69/55/600636955.db2.gz DWPBWNROJLQBKS-GOSISDBHSA-N -1 0 347.846 3.554 20 0 EHADRM CN(CCc1ccc(Cl)cc1)c1nc(Cl)c(C(=O)[O-])s1 ZINC000737447300 600637616 /nfs/dbraw/zinc/63/76/16/600637616.db2.gz VCWJYNFVZFHLKW-UHFFFAOYSA-N -1 0 331.224 3.827 20 0 EHADRM Cc1nc(-c2ccncc2)nc(Oc2cccc(CC(=O)[O-])c2)c1C ZINC000738838038 600638182 /nfs/dbraw/zinc/63/81/82/600638182.db2.gz LTKPDCHZUNCZBA-UHFFFAOYSA-N -1 0 335.363 3.575 20 0 EHADRM Cc1c(Cl)cccc1OCC(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000738202879 600639268 /nfs/dbraw/zinc/63/92/68/600639268.db2.gz YDXKEFNZPVVTJS-UHFFFAOYSA-N -1 0 335.743 3.723 20 0 EHADRM Cc1cc(OCC(=O)N2c3ccccc3CC[C@H]2C)c(C(=O)[O-])s1 ZINC000738464694 600640169 /nfs/dbraw/zinc/64/01/69/600640169.db2.gz KVSKUSVEBKNPFS-LLVKDONJSA-N -1 0 345.420 3.501 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)Nc1cccc(C(=O)[O-])c1)C(C)C ZINC000738786398 600641052 /nfs/dbraw/zinc/64/10/52/600641052.db2.gz PLDICOBHRDOISC-HNNXBMFYSA-N -1 0 327.384 3.607 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)[C@H](C)c1cccc(C)c1 ZINC000736185873 600657416 /nfs/dbraw/zinc/65/74/16/600657416.db2.gz GQIQPCMURFLGAP-GFCCVEGCSA-N -1 0 326.348 3.605 20 0 EHADRM CC(C)CCc1nc(COC(=O)c2ccccc2C(=O)[O-])cs1 ZINC000826860711 600658371 /nfs/dbraw/zinc/65/83/71/600658371.db2.gz BSHYTQOIZBGKAN-UHFFFAOYSA-N -1 0 333.409 3.787 20 0 EHADRM CSc1ccc(O[C@@H](C)C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000362745876 600659968 /nfs/dbraw/zinc/65/99/68/600659968.db2.gz DXDOQHLSGCUAKU-NSHDSACASA-N -1 0 331.393 3.513 20 0 EHADRM Cc1cc(C(=O)COC(=O)c2cccc(NC(=O)[O-])c2)cc(C)c1F ZINC000832859032 600660295 /nfs/dbraw/zinc/66/02/95/600660295.db2.gz NVRTZGFIDQGKOA-UHFFFAOYSA-N -1 0 345.326 3.572 20 0 EHADRM CSc1ccc(O[C@@H](C)C(=O)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC000675966556 600660645 /nfs/dbraw/zinc/66/06/45/600660645.db2.gz PWTKPUHJQPWUJH-LBPRGKRZSA-N -1 0 345.420 3.821 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cnc(-c2ccco2)s1)c1ccccc1F ZINC000833351201 600661986 /nfs/dbraw/zinc/66/19/86/600661986.db2.gz JMBIEEPNIWCCGD-ZDUSSCGKSA-N -1 0 347.323 3.525 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000262049547 600662031 /nfs/dbraw/zinc/66/20/31/600662031.db2.gz IGLDSMOPNPGVCI-ZGUYJTEBSA-N -1 0 329.440 3.673 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)N2CCSC[C@@H]2CC(=O)[O-])cc1 ZINC000236690581 600666606 /nfs/dbraw/zinc/66/66/06/600666606.db2.gz GXMXOUXZJBEBDQ-YOEHRIQHSA-N -1 0 349.496 3.722 20 0 EHADRM Cc1sc(NC(=O)CNc2cccc(C(=O)[O-])c2C)c(C)c1C ZINC000738996386 600676484 /nfs/dbraw/zinc/67/64/84/600676484.db2.gz GOPICPBIOVDRSO-UHFFFAOYSA-N -1 0 332.425 3.731 20 0 EHADRM COc1ccc(C(=O)[O-])c(NCc2csc(Br)c2)c1 ZINC000397414419 600677204 /nfs/dbraw/zinc/67/72/04/600677204.db2.gz XGVONBHTFOOXPB-UHFFFAOYSA-N -1 0 342.214 3.830 20 0 EHADRM Cc1ccc(NC(=O)CNc2ccc(C(C)(C)C(=O)[O-])cc2)cc1F ZINC000738625164 600680331 /nfs/dbraw/zinc/68/03/31/600680331.db2.gz FMEROAAITLTFMK-UHFFFAOYSA-N -1 0 344.386 3.547 20 0 EHADRM O=C([O-])c1cccc(-c2noc(COc3ccc(F)c(Cl)c3)n2)c1 ZINC000833328135 600697168 /nfs/dbraw/zinc/69/71/68/600697168.db2.gz XJDIOASAOZKAKS-UHFFFAOYSA-N -1 0 348.717 3.806 20 0 EHADRM CCSc1ccc(-c2nc(-c3cccc(C(=O)[O-])c3)no2)cn1 ZINC000830168529 600697509 /nfs/dbraw/zinc/69/75/09/600697509.db2.gz CWQUCYCSHMEQJM-UHFFFAOYSA-N -1 0 327.365 3.609 20 0 EHADRM O=C([O-])c1cccc(-c2noc(-c3ccc(-n4cccc4)cc3)n2)c1 ZINC000036377504 600699718 /nfs/dbraw/zinc/69/97/18/600699718.db2.gz OKPQLVMTKYJSQD-UHFFFAOYSA-N -1 0 331.331 3.893 20 0 EHADRM CC[C@H](NC(=O)c1ccc(C(=O)[O-])s1)c1cc(F)ccc1F ZINC000237050410 600701170 /nfs/dbraw/zinc/70/11/70/600701170.db2.gz BUOHOSMDXWBNAR-NSHDSACASA-N -1 0 325.336 3.606 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000237042478 600701804 /nfs/dbraw/zinc/70/18/04/600701804.db2.gz YSOMZSXISCGKTR-SIKLNZKXSA-N -1 0 349.430 3.637 20 0 EHADRM C[C@H]1CC[C@@H](CCC(=O)NCc2c3ccccc3sc2C(=O)[O-])O1 ZINC000676018827 600705807 /nfs/dbraw/zinc/70/58/07/600705807.db2.gz OFJVBYMBDJXSHU-RYUDHWBXSA-N -1 0 347.436 3.563 20 0 EHADRM C[C@@H](OC(=O)[C@H]1CCSc2ccccc21)c1ccc(C(=O)[O-])o1 ZINC000827826785 600710111 /nfs/dbraw/zinc/71/01/11/600710111.db2.gz PBMIBOQUARUWCG-PWSUYJOCSA-N -1 0 332.377 3.862 20 0 EHADRM CCC[C@@H]1[C@@H](C)CCCN1C(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC000829245927 600717710 /nfs/dbraw/zinc/71/77/10/600717710.db2.gz SOEOFRDNYXLAFN-XJKSGUPXSA-N -1 0 348.443 3.504 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)NCCCCCC(=O)[O-])c1C ZINC000414608586 600722553 /nfs/dbraw/zinc/72/25/53/600722553.db2.gz KGPYYFOGJAIIPY-KRWDZBQOSA-N -1 0 332.444 3.795 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000263087009 600726616 /nfs/dbraw/zinc/72/66/16/600726616.db2.gz VEORMMZAOIKROW-DOTOQJQBSA-N -1 0 348.418 3.563 20 0 EHADRM O=C([O-])[C@H](Nc1cccc(CO)c1)c1ccc(Cl)cc1Cl ZINC000833171451 600732624 /nfs/dbraw/zinc/73/26/24/600732624.db2.gz YJBKDURZGOXTKQ-CQSZACIVSA-N -1 0 326.179 3.724 20 0 EHADRM O=C([O-])[C@@H](N[C@H](c1ccco1)c1ccccc1)c1ccccc1F ZINC000833167225 600734930 /nfs/dbraw/zinc/73/49/30/600734930.db2.gz KXWYNKMVCVMUBU-ROUUACIJSA-N -1 0 325.339 3.924 20 0 EHADRM C[C@H](CCOc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000827421896 600741883 /nfs/dbraw/zinc/74/18/83/600741883.db2.gz DEHVOJOUCUUSQF-DYVFJYSZSA-N -1 0 346.354 3.600 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1)c1cc(F)ccc1F ZINC000736914546 600742348 /nfs/dbraw/zinc/74/23/48/600742348.db2.gz VJFYGMGJCMGHAS-OAHLLOKOSA-N -1 0 334.322 3.936 20 0 EHADRM O=C([O-])[C@H](NCc1ccccc1Br)c1ccccc1F ZINC000426834609 600744134 /nfs/dbraw/zinc/74/41/34/600744134.db2.gz OMIMSZNRXRVFGI-CQSZACIVSA-N -1 0 338.176 3.504 20 0 EHADRM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)NC2CCC(C(=O)[O-])CC2)C1 ZINC000263511693 600747976 /nfs/dbraw/zinc/74/79/76/600747976.db2.gz YYXKOMFRDWOAQK-KLBWVBMESA-N -1 0 348.418 3.562 20 0 EHADRM CCC[C@@H](CCc1ccccc1)NC(=O)N1CCC(CC(=O)[O-])CC1 ZINC000829222289 600753841 /nfs/dbraw/zinc/75/38/41/600753841.db2.gz AUBIQJOJNFJYNB-SFHVURJKSA-N -1 0 346.471 3.684 20 0 EHADRM CCCn1ccc2ccc(NC(=O)c3[nH]c(C)c(C(=O)[O-])c3C)cc21 ZINC000829585318 600765399 /nfs/dbraw/zinc/76/53/99/600765399.db2.gz OEUWQPUOMYXKHP-UHFFFAOYSA-N -1 0 339.395 3.947 20 0 EHADRM CN(CC(=O)Oc1c(C(=O)[O-])ccc2ccccc21)c1ccccc1 ZINC000737406803 600768075 /nfs/dbraw/zinc/76/80/75/600768075.db2.gz QAZJMTGVGSNXNO-UHFFFAOYSA-N -1 0 335.359 3.580 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000236737406 600771601 /nfs/dbraw/zinc/77/16/01/600771601.db2.gz ZNUNONDXNVKOTC-AWEZNQCLSA-N -1 0 333.453 3.682 20 0 EHADRM CCC(CC)(C(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000236872359 600784387 /nfs/dbraw/zinc/78/43/87/600784387.db2.gz UPYAQZMQXIYGKC-UHFFFAOYSA-N -1 0 325.408 3.759 20 0 EHADRM CCC[C@H](C)CC(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000237000421 600794197 /nfs/dbraw/zinc/79/41/97/600794197.db2.gz VASGDFISFZQHGZ-LBPRGKRZSA-N -1 0 327.371 3.594 20 0 EHADRM C/C(=C/C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F)C(C)(C)C ZINC000236619954 600796653 /nfs/dbraw/zinc/79/66/53/600796653.db2.gz DWUOVWNTVLDPQC-BENRWUELSA-N -1 0 339.382 3.761 20 0 EHADRM CCC/C(C)=C\C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000829209212 600797343 /nfs/dbraw/zinc/79/73/43/600797343.db2.gz SKJIFXXUFPEDPY-BENRWUELSA-N -1 0 325.355 3.515 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)cc1F ZINC000776674470 600800442 /nfs/dbraw/zinc/80/04/42/600800442.db2.gz SJKNZECYXNUNRB-HNNXBMFYSA-N -1 0 335.762 3.733 20 0 EHADRM Cc1ccc(N2CCC[C@@H](Oc3ccc(NC(=O)[O-])cc3)C2=O)cc1 ZINC000832937606 600802949 /nfs/dbraw/zinc/80/29/49/600802949.db2.gz AAHQSBCTAPFUTK-QGZVFWFLSA-N -1 0 340.379 3.659 20 0 EHADRM Cc1cccc(S[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)c1 ZINC000832973044 600805700 /nfs/dbraw/zinc/80/57/00/600805700.db2.gz ULXYXQUBTKHBBY-CYBMUJFWSA-N -1 0 333.434 3.652 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(Cl)o1)c1cccc(Cl)c1 ZINC000776672884 600808076 /nfs/dbraw/zinc/80/80/76/600808076.db2.gz LPFJKGOAKWGPDP-SNVBAGLBSA-N -1 0 328.151 3.532 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000776679836 600808439 /nfs/dbraw/zinc/80/84/39/600808439.db2.gz ZLBMKYYJPRGHQU-CXAGYDPISA-N -1 0 345.826 3.851 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1ncc(-c2ccccc2)s1)C(=O)[O-] ZINC000826779838 600810798 /nfs/dbraw/zinc/81/07/98/600810798.db2.gz LYWZDIMDYSAUHX-ZDUSSCGKSA-N -1 0 347.440 3.679 20 0 EHADRM COc1cccc(F)c1[C@H](C)Nc1nc(Cl)c(C(=O)[O-])s1 ZINC000832558241 600820464 /nfs/dbraw/zinc/82/04/64/600820464.db2.gz HIDYZRVJHQZJIM-LURJTMIESA-N -1 0 330.768 3.816 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000236938755 600824351 /nfs/dbraw/zinc/82/43/51/600824351.db2.gz PSYADGPNWKZKDQ-FIXISWKDSA-N -1 0 345.361 3.815 20 0 EHADRM Cc1ccccc1[C@@H]1CN(Cc2ccc(F)cc2C(=O)[O-])[C@@H](C)CO1 ZINC000570100863 600832877 /nfs/dbraw/zinc/83/28/77/600832877.db2.gz YKATVRNFUFXWNA-LIRRHRJNSA-N -1 0 343.398 3.794 20 0 EHADRM O=C([O-])c1ccc(OCCOc2ccc(F)cc2F)c(Cl)c1 ZINC000833322372 600835888 /nfs/dbraw/zinc/83/58/88/600835888.db2.gz MCOWNHVCXBJLGR-UHFFFAOYSA-N -1 0 328.698 3.774 20 0 EHADRM C[C@H]1CCC[C@H](C(=O)Oc2ccc(Br)cc2C(=O)[O-])C1 ZINC000736777146 600835913 /nfs/dbraw/zinc/83/59/13/600835913.db2.gz YVAAMRIMTYWAPV-UWVGGRQHSA-N -1 0 341.201 3.879 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc3[nH]c(C4CCC4)nc3c2)C1 ZINC000179990812 600836816 /nfs/dbraw/zinc/83/68/16/600836816.db2.gz VSFBRIKEKNWCTQ-OLZOCXBDSA-N -1 0 341.411 3.660 20 0 EHADRM C/C(=C/C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21)c1ccc(F)cc1 ZINC000736121436 600854825 /nfs/dbraw/zinc/85/48/25/600854825.db2.gz QPZPZRAWYQWGPI-VSKPTYQZSA-N -1 0 339.366 3.834 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000237323859 600858878 /nfs/dbraw/zinc/85/88/78/600858878.db2.gz MDZGBXBVVXCBNS-AWEZNQCLSA-N -1 0 343.398 3.751 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000347389052 600863211 /nfs/dbraw/zinc/86/32/11/600863211.db2.gz ZUODZMRJSLDHJF-HNNXBMFYSA-N -1 0 343.398 3.508 20 0 EHADRM C[C@@H](NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-])C1CCCCC1 ZINC000237569101 600865158 /nfs/dbraw/zinc/86/51/58/600865158.db2.gz LCIPGRDSZHJQNH-OLZOCXBDSA-N -1 0 335.469 3.950 20 0 EHADRM O=C([O-])c1cccc(C(=O)N(Cc2ccoc2)C2CCCCC2)c1 ZINC000238201775 600866627 /nfs/dbraw/zinc/86/66/27/600866627.db2.gz PSHUYRRILOFKJY-UHFFFAOYSA-N -1 0 327.380 3.953 20 0 EHADRM CCC[C@@](C)(NC(=O)c1cc(C2CC2)nc2ccc(F)cc21)C(=O)[O-] ZINC000431467231 600866980 /nfs/dbraw/zinc/86/69/80/600866980.db2.gz YTZDVATUPFSZSD-LJQANCHMSA-N -1 0 344.386 3.625 20 0 EHADRM O=C([O-])c1cc(NC(=O)C2CCCCC2)c(Br)cc1F ZINC000740082433 600868327 /nfs/dbraw/zinc/86/83/27/600868327.db2.gz XDYNWOIRDPSGTE-UHFFFAOYSA-N -1 0 344.180 3.805 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2CC=CCC2)c(Br)cc1F ZINC000740081062 600870174 /nfs/dbraw/zinc/87/01/74/600870174.db2.gz KGQUUSRIQBQILA-MRVPVSSYSA-N -1 0 342.164 3.581 20 0 EHADRM Cc1cc(F)cc(C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)c1 ZINC000362516458 600870198 /nfs/dbraw/zinc/87/01/98/600870198.db2.gz PULPESGCZLJXLF-UHFFFAOYSA-N -1 0 335.762 3.515 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)c1OC ZINC000262512461 600874591 /nfs/dbraw/zinc/87/45/91/600874591.db2.gz PEAOFJAORNXWEZ-UONOGXRCSA-N -1 0 347.411 3.557 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1Br ZINC000111476981 600879242 /nfs/dbraw/zinc/87/92/42/600879242.db2.gz NFUUFUBONZQACW-GHMZBOCLSA-N -1 0 340.217 3.587 20 0 EHADRM O=C([O-])c1sccc1NC(=O)CCSc1ccccc1F ZINC000037451912 600879316 /nfs/dbraw/zinc/87/93/16/600879316.db2.gz LWNJOJVTSYPUOB-UHFFFAOYSA-N -1 0 325.386 3.706 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000191245270 600879328 /nfs/dbraw/zinc/87/93/28/600879328.db2.gz GRVLSRIITQVRFQ-UHFFFAOYSA-N -1 0 342.395 3.557 20 0 EHADRM CC(C)[C@@H](C)[S@@](=O)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000826682353 600881739 /nfs/dbraw/zinc/88/17/39/600881739.db2.gz YMWQWJKXKSRLOI-XFNZEKPQSA-N -1 0 337.466 3.802 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000829004157 600883872 /nfs/dbraw/zinc/88/38/72/600883872.db2.gz AZSJFZSFXUOOJJ-SZXPJGKVSA-N -1 0 345.439 3.575 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1Cl ZINC000179968586 600886310 /nfs/dbraw/zinc/88/63/10/600886310.db2.gz GNBCGBXBYJVXJD-VXGBXAGGSA-N -1 0 339.819 3.957 20 0 EHADRM CCN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000506729905 600890046 /nfs/dbraw/zinc/89/00/46/600890046.db2.gz JYIAVCZAKXAUFS-UHFFFAOYSA-N -1 0 347.436 3.525 20 0 EHADRM Cc1cc2c(cc1C)O[C@H](C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)C2 ZINC000767180395 600890175 /nfs/dbraw/zinc/89/01/75/600890175.db2.gz QYQUVXIWZLNFNL-INIZCTEOSA-N -1 0 345.782 3.597 20 0 EHADRM C[C@@]1(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)CCc2ccccc2C1 ZINC000827965738 600893026 /nfs/dbraw/zinc/89/30/26/600893026.db2.gz HWULATRJDBQFNV-HTAPYJJXSA-N -1 0 349.430 3.787 20 0 EHADRM O=C([O-])c1ccc(NC(=O)/C=C\c2ccc(OC(F)F)cc2)s1 ZINC000833095023 600900190 /nfs/dbraw/zinc/90/01/90/600900190.db2.gz OKSHIXQCDIYTKB-CLTKARDFSA-N -1 0 339.319 3.700 20 0 EHADRM C[C@@H](CNC(=O)c1ccccc1NC(=O)[O-])Sc1ccccc1 ZINC000827497568 600902971 /nfs/dbraw/zinc/90/29/71/600902971.db2.gz QBYMGENDVXVVDT-LBPRGKRZSA-N -1 0 330.409 3.687 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2cccc(N3CCCCC3)c2)C1 ZINC000833187190 600908531 /nfs/dbraw/zinc/90/85/31/600908531.db2.gz QMEMEJWPWOYBOS-GJZGRUSLSA-N -1 0 330.428 3.506 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000498663105 600911044 /nfs/dbraw/zinc/91/10/44/600911044.db2.gz ZPZZHZZXNUCTKD-CABCVRRESA-N -1 0 333.428 3.941 20 0 EHADRM Cc1cc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c(C)n1C(C)C ZINC000738327473 600911946 /nfs/dbraw/zinc/91/19/46/600911946.db2.gz DJGHFPXZCQOHNR-OAHLLOKOSA-N -1 0 340.423 3.905 20 0 EHADRM Cc1cccc(CN(CC(C)C)C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000832968419 600915557 /nfs/dbraw/zinc/91/55/57/600915557.db2.gz WEUBTBFAMGWWJR-ROUUACIJSA-N -1 0 331.456 3.871 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)N[C@@H](C(=O)[O-])c2ccccn2)cc1 ZINC000827118240 600915783 /nfs/dbraw/zinc/91/57/83/600915783.db2.gz OZZQFDSOYQGQQN-IFXJQAMLSA-N -1 0 340.423 3.641 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1sccc1SC(F)F)C(=O)[O-] ZINC000736409368 600918240 /nfs/dbraw/zinc/91/82/40/600918240.db2.gz FKBAPKRHASJRNY-MRVPVSSYSA-N -1 0 337.413 3.540 20 0 EHADRM CCC(CC)(NC(=O)/C=C/c1ccc2ccc(Cl)cc2n1)C(=O)[O-] ZINC000828824328 600922880 /nfs/dbraw/zinc/92/28/80/600922880.db2.gz FQPRVQWXQGZMER-MDZDMXLPSA-N -1 0 346.814 3.661 20 0 EHADRM CCC(CC)(NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000342561699 600924426 /nfs/dbraw/zinc/92/44/26/600924426.db2.gz HXAWSYZBAMGOIS-LLVKDONJSA-N -1 0 345.361 3.959 20 0 EHADRM CCCCC[C@H](O)CC(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000829349648 600928065 /nfs/dbraw/zinc/92/80/65/600928065.db2.gz ZGKXQEQZRZTCGH-LBPRGKRZSA-N -1 0 349.452 3.547 20 0 EHADRM C[C@H](C(=O)Nc1cccc(CSCCC(=O)[O-])c1)c1cccnc1 ZINC000826022085 600931847 /nfs/dbraw/zinc/93/18/47/600931847.db2.gz WNVVOQZVYNVSQZ-ZDUSSCGKSA-N -1 0 344.436 3.532 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccc(F)c(Br)c2)c1 ZINC000161028957 600936596 /nfs/dbraw/zinc/93/65/96/600936596.db2.gz JGOHEZZUXNVYEE-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM CCCOc1ccc(CCC(=O)Oc2cccc(C(=O)[O-])c2)cc1 ZINC000829532324 600938055 /nfs/dbraw/zinc/93/80/55/600938055.db2.gz DDGQAVCFJZPSQU-UHFFFAOYSA-N -1 0 328.364 3.712 20 0 EHADRM O=C([O-])C[C@@H]1CN(Cc2cccc(OC(F)F)c2)c2ccccc21 ZINC000739653634 600959645 /nfs/dbraw/zinc/95/96/45/600959645.db2.gz MOWLMSWFVIHCAQ-CYBMUJFWSA-N -1 0 333.334 3.867 20 0 EHADRM O=C([O-])C[C@H]1CN(Cc2cc(Cl)nc(Cl)c2)c2ccccc21 ZINC000739654824 600964386 /nfs/dbraw/zinc/96/43/86/600964386.db2.gz XXSFUNDQFDTROV-NSHDSACASA-N -1 0 337.206 3.967 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc(-c3cscn3)c2)s1 ZINC000833156574 600967761 /nfs/dbraw/zinc/96/77/61/600967761.db2.gz ARHUEPPUJSLVRF-UHFFFAOYSA-N -1 0 330.390 3.822 20 0 EHADRM CC[C@H](NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)C(C)(C)c1ccccc1 ZINC000180020403 600968609 /nfs/dbraw/zinc/96/86/09/600968609.db2.gz GNONZYUQDCENAS-ZOBUZTSGSA-N -1 0 331.456 3.750 20 0 EHADRM C[C@H]1CN(Cc2ccc(F)cc2C(=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000565662931 600971774 /nfs/dbraw/zinc/97/17/74/600971774.db2.gz RNRFSTNQVYNOGC-SGTLLEGYSA-N -1 0 347.361 3.625 20 0 EHADRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)CCC1CC1 ZINC000832847975 600979499 /nfs/dbraw/zinc/97/94/99/600979499.db2.gz GVORXUSZTKNOQO-UHFFFAOYSA-N -1 0 326.190 3.584 20 0 EHADRM CCc1[nH]c(C(=O)Nc2cc(F)ccc2NC(C)C)c(C)c1C(=O)[O-] ZINC000830197494 600980330 /nfs/dbraw/zinc/98/03/30/600980330.db2.gz WBECJNQTNRKDBZ-UHFFFAOYSA-N -1 0 347.390 3.795 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000175061294 600982038 /nfs/dbraw/zinc/98/20/38/600982038.db2.gz HKKHBYDPKOVSAQ-GHMZBOCLSA-N -1 0 329.318 3.843 20 0 EHADRM CCc1cnc(CN(C)[C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)o1 ZINC000830290687 600996225 /nfs/dbraw/zinc/99/62/25/600996225.db2.gz WABWBVDLIHGHFT-CQSZACIVSA-N -1 0 343.210 3.802 20 0 EHADRM C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1cccs1)c1cccc(Cl)c1 ZINC000678976871 600999557 /nfs/dbraw/zinc/99/95/57/600999557.db2.gz JUWDAVQWRQOMKR-GWCFXTLKSA-N -1 0 337.828 3.837 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2CCSc3ccccc32)ccc1F ZINC000740081047 601000122 /nfs/dbraw/zinc/00/01/22/601000122.db2.gz JMVRNWYERZKOCJ-GFCCVEGCSA-N -1 0 331.368 3.742 20 0 EHADRM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])c1 ZINC000321082600 601003393 /nfs/dbraw/zinc/00/33/93/601003393.db2.gz LYQAMQDFRPIPJZ-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)[C@H]2CCSc3ccccc32)c1 ZINC000740041970 601004394 /nfs/dbraw/zinc/00/43/94/601004394.db2.gz CGNMIDPONZOMOB-AWEZNQCLSA-N -1 0 328.393 3.995 20 0 EHADRM C[C@H](CNC(=O)Nc1cccc(C(=O)[O-])c1)Sc1ccccc1 ZINC000827492515 601008615 /nfs/dbraw/zinc/00/86/15/601008615.db2.gz BSOAGHJPBJYNRX-GFCCVEGCSA-N -1 0 330.409 3.687 20 0 EHADRM CCC(CC)c1cc(CNC(=O)Nc2cccc(C(=O)[O-])c2C)on1 ZINC000828862580 601014720 /nfs/dbraw/zinc/01/47/20/601014720.db2.gz PWMREKYDFDZGEZ-UHFFFAOYSA-N -1 0 345.399 3.907 20 0 EHADRM Cc1cccc(N(CC(=O)[O-])C(=O)CCCCCc2cccs2)n1 ZINC000738719828 601016176 /nfs/dbraw/zinc/01/61/76/601016176.db2.gz KLGGIHNZHQYCOU-UHFFFAOYSA-N -1 0 346.452 3.672 20 0 EHADRM Cc1cc(O[C@@H](C)C(=O)Oc2ccccc2CC(=O)[O-])ccc1Cl ZINC000738464126 601021793 /nfs/dbraw/zinc/02/17/93/601021793.db2.gz APDONRGKJCBKPR-LBPRGKRZSA-N -1 0 348.782 3.648 20 0 EHADRM C[C@@H]1CN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C[C@H](C)S1 ZINC000571930008 601024708 /nfs/dbraw/zinc/02/47/08/601024708.db2.gz MJMOYSLBUQKMHK-TXEJJXNPSA-N -1 0 348.493 3.834 20 0 EHADRM Cc1c(CSC(C)C)cccc1NC(=O)c1cccc(C(=O)[O-])n1 ZINC000262404945 601029506 /nfs/dbraw/zinc/02/95/06/601029506.db2.gz MXPRNYKGMJJFDA-UHFFFAOYSA-N -1 0 344.436 3.982 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CCC2(CCCC2)C1 ZINC000827049533 601033961 /nfs/dbraw/zinc/03/39/61/601033961.db2.gz WJAMPNGSDALUDX-UHFFFAOYSA-N -1 0 346.427 3.970 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)N(c1ncc(C(=O)[O-])s1)C1CC1 ZINC000736903073 601034975 /nfs/dbraw/zinc/03/49/75/601034975.db2.gz GKNCDCBKERYLDN-ZDUSSCGKSA-N -1 0 344.436 3.606 20 0 EHADRM Cc1ccccc1O[C@H](C)CNC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000832979048 601041854 /nfs/dbraw/zinc/04/18/54/601041854.db2.gz FUUNPULXQWZLLY-CQSZACIVSA-N -1 0 342.395 3.591 20 0 EHADRM C[C@H]1Cc2ccccc2CN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000828516989 601045972 /nfs/dbraw/zinc/04/59/72/601045972.db2.gz WILGMZTVUWAXST-NSHDSACASA-N -1 0 328.343 3.503 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1 ZINC000833239198 601048121 /nfs/dbraw/zinc/04/81/21/601048121.db2.gz ZFXQFUOADOBRCV-BFYDXBDKSA-N -1 0 330.428 3.794 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)NCCCCC2CCCC2)cc1 ZINC000833282307 601053489 /nfs/dbraw/zinc/05/34/89/601053489.db2.gz UXIWPRKUNMOZOY-UHFFFAOYSA-N -1 0 333.432 3.936 20 0 EHADRM C[C@@H](CCOc1ccccc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000767095460 601058812 /nfs/dbraw/zinc/05/88/12/601058812.db2.gz KRXVFFGRIQPQBM-LBPRGKRZSA-N -1 0 331.343 3.568 20 0 EHADRM COc1ccc2c(CC(=O)Nc3ccc(C)c(C(=O)[O-])c3)coc2c1 ZINC000237271419 601064032 /nfs/dbraw/zinc/06/40/32/601064032.db2.gz AOHHHCVFWQRFRC-UHFFFAOYSA-N -1 0 339.347 3.629 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC2CC(c3cccc(Cl)c3)C2)s1 ZINC000740109737 601066082 /nfs/dbraw/zinc/06/60/82/601066082.db2.gz GWIRNALPQPYUTK-UHFFFAOYSA-N -1 0 335.812 3.776 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC000540703571 601067895 /nfs/dbraw/zinc/06/78/95/601067895.db2.gz IKPWKPOKPFFNKK-KGLIPLIRSA-N -1 0 331.318 3.714 20 0 EHADRM Cc1ccoc1C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000832985028 601069920 /nfs/dbraw/zinc/06/99/20/601069920.db2.gz WPISHVZAZUAMJT-GFCCVEGCSA-N -1 0 329.135 3.878 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1F ZINC000833351673 601079047 /nfs/dbraw/zinc/07/90/47/601079047.db2.gz OYAXWDCJWAABAF-LLVKDONJSA-N -1 0 344.125 3.510 20 0 EHADRM CSc1ccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])cc1 ZINC000832774610 601079343 /nfs/dbraw/zinc/07/93/43/601079343.db2.gz SCGYHQDBIFCHJZ-RDJZCZTQSA-N -1 0 347.480 3.904 20 0 EHADRM C[C@H](C(=O)N1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-])c1cccs1 ZINC000825977367 601084389 /nfs/dbraw/zinc/08/43/89/601084389.db2.gz FEXQXNLHJFZOOZ-QEJZJMRPSA-N -1 0 335.469 3.734 20 0 EHADRM CCCc1c(C(=O)Nc2ncc(C(C)C)s2)[nH]c(C)c1C(=O)[O-] ZINC000737044224 601084928 /nfs/dbraw/zinc/08/49/28/601084928.db2.gz TWKDUKKFTVSUCJ-UHFFFAOYSA-N -1 0 335.429 3.806 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)CCCc1cccs1 ZINC000833176218 601085343 /nfs/dbraw/zinc/08/53/43/601085343.db2.gz CAFFHNZGLNQABR-RDJZCZTQSA-N -1 0 349.496 3.953 20 0 EHADRM Cc1c(Cl)c(C(=O)[O-])nn1CN1CCC[C@H]1c1cccc(C)c1C ZINC000738698652 601090734 /nfs/dbraw/zinc/09/07/34/601090734.db2.gz SDFBHRNROFNCDT-HNNXBMFYSA-N -1 0 347.846 3.955 20 0 EHADRM Cc1c(Cl)c(C(=O)[O-])nn1CN1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000738290585 601091322 /nfs/dbraw/zinc/09/13/22/601091322.db2.gz RFPNZWLJPQERGB-DOMZBBRYSA-N -1 0 347.846 3.626 20 0 EHADRM Cc1[nH]c(C(=O)N2CCCCCc3ccccc32)c(C)c1C(=O)[O-] ZINC000738162000 601096589 /nfs/dbraw/zinc/09/65/89/601096589.db2.gz SYSXXRTWDQLQCL-UHFFFAOYSA-N -1 0 326.396 3.703 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NCC(C2CC2)C2CC2)cc1 ZINC000325279014 601096903 /nfs/dbraw/zinc/09/69/03/601096903.db2.gz JLFLKVIRAHKXRV-UHFFFAOYSA-N -1 0 330.428 3.607 20 0 EHADRM C/C(=C/CSc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)[O-] ZINC000736120550 601097827 /nfs/dbraw/zinc/09/78/27/601097827.db2.gz AUYCKRYONWOKNR-BENRWUELSA-N -1 0 344.436 3.635 20 0 EHADRM O=C([O-])C1CCC(NC(=O)Nc2ccccc2CC(F)(F)F)CC1 ZINC000262988387 601099334 /nfs/dbraw/zinc/09/93/34/601099334.db2.gz DCUFNNXPGLSHLN-UHFFFAOYSA-N -1 0 344.333 3.556 20 0 EHADRM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccccc1NC(=O)[O-] ZINC000828148661 601108186 /nfs/dbraw/zinc/10/81/86/601108186.db2.gz CJNYMZIWGRCZSP-ZBFHGGJFSA-N -1 0 338.407 3.870 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccsc1C(=O)[O-] ZINC000738832810 601115171 /nfs/dbraw/zinc/11/51/71/601115171.db2.gz UPPBLXYYGAMZPJ-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM Cc1cc(Br)ccc1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000108654575 601125770 /nfs/dbraw/zinc/12/57/70/601125770.db2.gz PFKPVRUGJMBKIY-MNOVXSKESA-N -1 0 340.217 3.587 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2cccc(SC(F)F)c2)CCC1 ZINC000833203360 601127964 /nfs/dbraw/zinc/12/79/64/601127964.db2.gz RLNJMAWHJMAFGP-UHFFFAOYSA-N -1 0 330.356 3.520 20 0 EHADRM Cc1ccc(NC(=O)N(C[C@H]2CCCO2)C2CCCC2)cc1C(=O)[O-] ZINC000832944768 601133342 /nfs/dbraw/zinc/13/33/42/601133342.db2.gz LWCVJDVUDPJKML-MRXNPFEDSA-N -1 0 346.427 3.649 20 0 EHADRM Cc1c(C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)cnc2ccccc12 ZINC000832851010 601136806 /nfs/dbraw/zinc/13/68/06/601136806.db2.gz BPUHIVYJKSQJQT-UHFFFAOYSA-N -1 0 335.363 3.910 20 0 EHADRM CCC[C@@H](NC(=O)Nc1ccc(C)c(C(=O)[O-])c1)c1ccccn1 ZINC000829223508 601138563 /nfs/dbraw/zinc/13/85/63/601138563.db2.gz ROJBQRKQCLBCIZ-MRXNPFEDSA-N -1 0 327.384 3.751 20 0 EHADRM CCN(C(=O)c1cnc2ccccc2c1C)c1ccccc1C(=O)[O-] ZINC000829602291 601138560 /nfs/dbraw/zinc/13/85/60/601138560.db2.gz KHAIGFAGUBOMAB-UHFFFAOYSA-N -1 0 334.375 3.908 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc(C)c(C(=O)[O-])c2)o1 ZINC000832928824 601139466 /nfs/dbraw/zinc/13/94/66/601139466.db2.gz XBOAZGFDXHBFEY-OAHLLOKOSA-N -1 0 328.368 3.964 20 0 EHADRM Cc1ccc(NC(=O)N[C@H]2CCOc3c(C)cccc32)cc1C(=O)[O-] ZINC000832945994 601142335 /nfs/dbraw/zinc/14/23/35/601142335.db2.gz CVNMQPLQLGJJOG-INIZCTEOSA-N -1 0 340.379 3.647 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@@H]2Cc2ccccc2)cc1C(=O)[O-] ZINC000832946399 601142701 /nfs/dbraw/zinc/14/27/01/601142701.db2.gz VGJIIDZERRUWNK-QGZVFWFLSA-N -1 0 338.407 3.932 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC000828899765 601143090 /nfs/dbraw/zinc/14/30/90/601143090.db2.gz AKGWNQAQHJLXFC-HNNXBMFYSA-N -1 0 329.371 3.512 20 0 EHADRM O=C([O-])CCCOc1ccc(CNc2ncc(Cl)cc2F)cc1 ZINC000833227626 601145195 /nfs/dbraw/zinc/14/51/95/601145195.db2.gz PFMPFBBYGGMJRD-UHFFFAOYSA-N -1 0 338.766 3.730 20 0 EHADRM O=C([O-])CN(C(=O)[C@H]1CCSc2ccccc21)c1cccc(F)c1 ZINC000833242064 601145216 /nfs/dbraw/zinc/14/52/16/601145216.db2.gz IZYZBCOWGVKPPE-HNNXBMFYSA-N -1 0 345.395 3.523 20 0 EHADRM N#Cc1c(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)sc2c1CCCCC2 ZINC000326335630 601146223 /nfs/dbraw/zinc/14/62/23/601146223.db2.gz TTXQCBWHRHFDLF-VXGBXAGGSA-N -1 0 346.452 3.718 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC000827907926 601146418 /nfs/dbraw/zinc/14/64/18/601146418.db2.gz CMWAHELNTROAAI-CYBMUJFWSA-N -1 0 347.411 3.565 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)c2cccc(C(F)(F)F)c2F)cc1 ZINC000833267336 601146863 /nfs/dbraw/zinc/14/68/63/601146863.db2.gz XMTQIQMRDPBJRT-UHFFFAOYSA-N -1 0 342.244 3.691 20 0 EHADRM O=C([O-])CN(C(=O)Cc1cccc2ccccc21)c1cccc(F)c1 ZINC000833245117 601146896 /nfs/dbraw/zinc/14/68/96/601146896.db2.gz RPPXEBLKAKLRHS-UHFFFAOYSA-N -1 0 337.350 3.639 20 0 EHADRM CC[C@@H](CNC(=O)c1ccc(NC(=O)[O-])cc1)Oc1ccccc1F ZINC000828883999 601147621 /nfs/dbraw/zinc/14/76/21/601147621.db2.gz MSGINLPWWVOKCX-AWEZNQCLSA-N -1 0 346.358 3.503 20 0 EHADRM C[C@@H]1CCN(C(=O)NCCCCCC(=O)[O-])[C@H]1c1cccc(F)c1 ZINC000414620083 601148044 /nfs/dbraw/zinc/14/80/44/601148044.db2.gz CIIYRVSWLGESRW-CXAGYDPISA-N -1 0 336.407 3.563 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2nc3cc(Cl)ccc3s2)C1 ZINC000833185380 601149131 /nfs/dbraw/zinc/14/91/31/601149131.db2.gz HADKVKCHDHFRDK-DTWKUNHWSA-N -1 0 338.816 3.779 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)[C@@H](C)c1ccccc1F)c1ccccc1 ZINC000237747852 601165921 /nfs/dbraw/zinc/16/59/21/601165921.db2.gz QAVPLDNJMZCWCV-AHIWAGSCSA-N -1 0 329.371 3.507 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)OCc2ccc(C(F)(F)F)cc2)C1 ZINC000833190396 601179065 /nfs/dbraw/zinc/17/90/65/601179065.db2.gz WXCASMONDQWHSE-RYUDHWBXSA-N -1 0 330.302 3.640 20 0 EHADRM O=C([O-])CC1(NC(=O)/C=C\c2ccc3ccccc3n2)CCCCC1 ZINC000833203459 601184702 /nfs/dbraw/zinc/18/47/02/601184702.db2.gz NXQIEVUGUYNNRX-KHPPLWFESA-N -1 0 338.407 3.542 20 0 EHADRM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000828162303 601193381 /nfs/dbraw/zinc/19/33/81/601193381.db2.gz VXRMSGWSJXSGPC-IUODEOHRSA-N -1 0 333.432 3.791 20 0 EHADRM Cc1cc(COC(=O)c2oc(-c3ccccc3)nc2C)oc1C(=O)[O-] ZINC000832884812 601194581 /nfs/dbraw/zinc/19/45/81/601194581.db2.gz GFBYXCAJJWNFLB-UHFFFAOYSA-N -1 0 341.319 3.607 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccc3nc(C4CC4)oc3c2)C1 ZINC000833185885 601194877 /nfs/dbraw/zinc/19/48/77/601194877.db2.gz JDYAIDNWBGWMGL-NWDGAFQWSA-N -1 0 328.368 3.535 20 0 EHADRM Cc1ccc(CCCC(=O)O[C@H](C(=O)[O-])c2ccccc2F)s1 ZINC000832930049 601195158 /nfs/dbraw/zinc/19/51/58/601195158.db2.gz JPGSHKYUSHDNPN-INIZCTEOSA-N -1 0 336.384 3.887 20 0 EHADRM Cc1csc(C2(NC(=O)Nc3cc(C(=O)[O-])ccc3C)CCC2)n1 ZINC000832988568 601206942 /nfs/dbraw/zinc/20/69/42/601206942.db2.gz AZHXXUMXECFHLW-UHFFFAOYSA-N -1 0 345.424 3.659 20 0 EHADRM Cc1ccccc1Cc1noc(COc2ccccc2NC(=O)[O-])n1 ZINC000832978493 601229494 /nfs/dbraw/zinc/22/94/94/601229494.db2.gz HXGCFTDIFJJVDC-UHFFFAOYSA-N -1 0 339.351 3.638 20 0 EHADRM C[C@H](OC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1cnc2ccccc2c1 ZINC000827828069 601238281 /nfs/dbraw/zinc/23/82/81/601238281.db2.gz VDOZMAQZINZPPX-NWANDNLSSA-N -1 0 327.380 3.730 20 0 EHADRM CC(C)CCC[C@@H](C)NC(=O)CNc1ccc(F)c(NC(=O)[O-])c1 ZINC000826848940 601249290 /nfs/dbraw/zinc/24/92/90/601249290.db2.gz NHPGDDBWVAFHNM-GFCCVEGCSA-N -1 0 339.411 3.659 20 0 EHADRM CC(C)[C@@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000362498979 601271692 /nfs/dbraw/zinc/27/16/92/601271692.db2.gz MXAHYWGWXDERBT-OAHLLOKOSA-N -1 0 332.787 3.560 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000829009270 601275769 /nfs/dbraw/zinc/27/57/69/601275769.db2.gz ANCRTFMWRIPECB-KRWDZBQOSA-N -1 0 327.380 3.514 20 0 EHADRM C[C@@H](C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)C1CCCC1 ZINC000826007824 601278285 /nfs/dbraw/zinc/27/82/85/601278285.db2.gz AZTBATRSLGFGJL-CYBMUJFWSA-N -1 0 330.428 3.750 20 0 EHADRM C[C@@]1(CCc2ccccc2)CCN(C(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000535614557 601278710 /nfs/dbraw/zinc/27/87/10/601278710.db2.gz ZQLZUDNGVJMGRC-OAQYLSRUSA-N -1 0 337.419 3.870 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000829014151 601279615 /nfs/dbraw/zinc/27/96/15/601279615.db2.gz DLWWSMHDQMXUJU-INIZCTEOSA-N -1 0 329.352 3.848 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C/C=C/c1cccc(F)c1 ZINC000237749934 601279898 /nfs/dbraw/zinc/27/98/98/601279898.db2.gz SEZQEMRMYMFOPU-HWKANZROSA-N -1 0 343.354 3.640 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000829014143 601285439 /nfs/dbraw/zinc/28/54/39/601285439.db2.gz DJHQOSXNMMEUHN-INIZCTEOSA-N -1 0 342.395 3.559 20 0 EHADRM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)c1ccnc(C(=O)[O-])c1 ZINC000362534407 601286439 /nfs/dbraw/zinc/28/64/39/601286439.db2.gz PNOXTEDJJYJSHN-KRWDZBQOSA-N -1 0 326.396 3.558 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1ccnc(C(=O)[O-])c1 ZINC000237687496 601293119 /nfs/dbraw/zinc/29/31/19/601293119.db2.gz AKGIIJUHQWTYLW-NWDGAFQWSA-N -1 0 346.814 3.697 20 0 EHADRM Cc1cc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c2ccccc2n1 ZINC000178172728 601295322 /nfs/dbraw/zinc/29/53/22/601295322.db2.gz SNSFAWMEDQKQEM-IFXJQAMLSA-N -1 0 348.402 3.735 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000262061621 601307323 /nfs/dbraw/zinc/30/73/23/601307323.db2.gz BGZNKDFGGIIZIF-ZDUSSCGKSA-N -1 0 345.361 3.872 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000832853939 601315939 /nfs/dbraw/zinc/31/59/39/601315939.db2.gz ZFOSBZWWWIGNMV-AWEZNQCLSA-N -1 0 348.443 3.639 20 0 EHADRM CC1(C)CN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)CCS1 ZINC000828074274 601328672 /nfs/dbraw/zinc/32/86/72/601328672.db2.gz DNUOUYOKCGNQNR-UHFFFAOYSA-N -1 0 348.493 3.836 20 0 EHADRM O=C([O-])CCc1nc(CS[C@H]2CCCCc3ccccc32)no1 ZINC000833241293 601356796 /nfs/dbraw/zinc/35/67/96/601356796.db2.gz FNLCODTUWKDMCG-AWEZNQCLSA-N -1 0 332.425 3.788 20 0 EHADRM CC1CCC(N(C(=O)COc2ccccc2NC(=O)[O-])C2CC2)CC1 ZINC000828226202 601368953 /nfs/dbraw/zinc/36/89/53/601368953.db2.gz PXNVCWKAJUJUPJ-UHFFFAOYSA-N -1 0 346.427 3.725 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2nc(-c3cccc(F)c3)cs2)C1 ZINC000833186048 601387036 /nfs/dbraw/zinc/38/70/36/601387036.db2.gz JZYCNBDTVIXIBZ-NEPJUHHUSA-N -1 0 348.399 3.779 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1ccccc1CN(CC)C(C)=O ZINC000830378919 601390145 /nfs/dbraw/zinc/39/01/45/601390145.db2.gz BLVGFMWZHQPZOX-UHFFFAOYSA-N -1 0 344.411 3.521 20 0 EHADRM COc1ccc([C@@H](C)Cc2nc(-c3cccc(C(=O)[O-])c3)no2)cc1 ZINC000832220857 601395068 /nfs/dbraw/zinc/39/50/68/601395068.db2.gz JQEWBSHQVZGMPO-LBPRGKRZSA-N -1 0 338.363 3.790 20 0 EHADRM C[C@H](C(=O)N(CC(=O)[O-])Cc1ccccc1)c1ccc(Cl)s1 ZINC000190741377 601396081 /nfs/dbraw/zinc/39/60/81/601396081.db2.gz SHCLVVAKRJBOQL-NSHDSACASA-N -1 0 337.828 3.618 20 0 EHADRM CN(Cc1ccc(Cl)s1)Cn1nc(C(=O)[O-])c2ccccc21 ZINC000830825181 601396436 /nfs/dbraw/zinc/39/64/36/601396436.db2.gz FWFNDNPRXGKQAX-UHFFFAOYSA-N -1 0 335.816 3.539 20 0 EHADRM C/C(=C\C(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1cccc(Cl)c1 ZINC000825716473 601402846 /nfs/dbraw/zinc/40/28/46/601402846.db2.gz HCHDBMBRSGWIAT-KPKJPENVSA-N -1 0 341.794 3.984 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)c2ccc(Cl)s2)c1 ZINC000832178635 601403975 /nfs/dbraw/zinc/40/39/75/601403975.db2.gz IFQAURZXSVSUHE-QMMMGPOBSA-N -1 0 339.800 3.851 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COc1nc(-c2ccccc2Cl)no1 ZINC000830394557 601407479 /nfs/dbraw/zinc/40/74/79/601407479.db2.gz GRPUSJWHYGVNGO-UHFFFAOYSA-N -1 0 348.742 3.823 20 0 EHADRM Cc1cc(CSc2nnc(Cc3cccs3)o2)oc1C(=O)[O-] ZINC000832885883 601407775 /nfs/dbraw/zinc/40/77/75/601407775.db2.gz OCBTVPUDWKPFLU-UHFFFAOYSA-N -1 0 336.394 3.614 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N2CCC(c3cccc(F)c3)CC2)c1 ZINC000833329640 601409007 /nfs/dbraw/zinc/40/90/07/601409007.db2.gz GGYQWFZERBHIDM-UHFFFAOYSA-N -1 0 342.370 3.935 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN(C)Cc1nc2ccccc2s1 ZINC000570933662 601410990 /nfs/dbraw/zinc/41/09/90/601410990.db2.gz KYOQTNYCNKWCEV-UHFFFAOYSA-N -1 0 330.409 3.782 20 0 EHADRM CC(C)c1ccc(CN(C)C(=O)NCC2(C(=O)[O-])CCCC2)cc1 ZINC000827117985 601421376 /nfs/dbraw/zinc/42/13/76/601421376.db2.gz OUNNPXYHUISROJ-UHFFFAOYSA-N -1 0 332.444 3.596 20 0 EHADRM COc1ccc(-c2ccc(C(=O)OC/C=C(/C)C(=O)[O-])c(F)c2)cc1 ZINC000832115954 601425343 /nfs/dbraw/zinc/42/53/43/601425343.db2.gz FLWRWQTXHJSMCF-XFXZXTDPSA-N -1 0 344.338 3.689 20 0 EHADRM C[C@@H](C(=O)NC1(CC(=O)[O-])CCC1)c1ccc(Cl)c(Cl)c1 ZINC000262554399 601433105 /nfs/dbraw/zinc/43/31/05/601433105.db2.gz XUWPOFDCUAQFKL-SECBINFHSA-N -1 0 330.211 3.611 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)Nc1ccc(OCC(F)F)cc1 ZINC000833288153 601453644 /nfs/dbraw/zinc/45/36/44/601453644.db2.gz SQNNBEXJJQVTCV-UHFFFAOYSA-N -1 0 336.294 3.673 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1sc2ccccc2c1Cl ZINC000237137671 601460120 /nfs/dbraw/zinc/46/01/20/601460120.db2.gz XCSZMVUMZHYBKY-OAHLLOKOSA-N -1 0 325.817 3.928 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000237107840 601467909 /nfs/dbraw/zinc/46/79/09/601467909.db2.gz VCYLAJKSQMQKFD-MEDUHNTESA-N -1 0 345.361 3.644 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cccc2cnccc21)c1cccc(Cl)c1 ZINC000833352043 601468017 /nfs/dbraw/zinc/46/80/17/601468017.db2.gz XRIPTNVUIBPPHB-MRXNPFEDSA-N -1 0 341.750 3.871 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000237017626 601468130 /nfs/dbraw/zinc/46/81/30/601468130.db2.gz FYUVUELGRBMCJC-RBZFPXEDSA-N -1 0 343.423 3.712 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl ZINC000237109177 601468207 /nfs/dbraw/zinc/46/82/07/601468207.db2.gz SBKJJJVZNIKITN-RFAUZJTJSA-N -1 0 348.226 3.520 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CCOc1cccc(Cl)c1Cl ZINC000236993233 601471239 /nfs/dbraw/zinc/47/12/39/601471239.db2.gz PAFRHZNSWKEXNS-HNNXBMFYSA-N -1 0 348.226 3.522 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=S)Nc1ccc(SC(F)F)cc1 ZINC000828651860 601472301 /nfs/dbraw/zinc/47/23/01/601472301.db2.gz BPICHTJXHNQCIM-CQSZACIVSA-N -1 0 348.440 3.931 20 0 EHADRM Cc1ccc2oc(C(=O)N3CCc4ccccc4[C@@H]3C(=O)[O-])cc2c1 ZINC000326824500 601477835 /nfs/dbraw/zinc/47/78/35/601477835.db2.gz YXQJMBUABBQZRE-GOSISDBHSA-N -1 0 335.359 3.565 20 0 EHADRM CCCOc1cccc(NC(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC000656601605 601485429 /nfs/dbraw/zinc/48/54/29/601485429.db2.gz BGUBGBMBJOSIKU-UHFFFAOYSA-N -1 0 334.416 3.584 20 0 EHADRM C[C@@H](CC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000262550532 601494871 /nfs/dbraw/zinc/49/48/71/601494871.db2.gz USVTYPHPDDMPEX-ORAYPTAESA-N -1 0 341.382 3.530 20 0 EHADRM CC[C@@H](CC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-])c1ccccc1 ZINC000262515339 601495436 /nfs/dbraw/zinc/49/54/36/601495436.db2.gz LEEWIUJQYDCHKN-YWZLYKJASA-N -1 0 337.419 3.781 20 0 EHADRM CCCCC[C@H](NC(=O)N1C[C@H](C)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000829327147 601497440 /nfs/dbraw/zinc/49/74/40/601497440.db2.gz VWYWHZGMRXUYOQ-UAGQMJEPSA-N -1 0 332.444 3.670 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)/C=C2/CC[C@@H](C)C2)cc1 ZINC000832777446 601501366 /nfs/dbraw/zinc/50/13/66/601501366.db2.gz MYTBBJJMFYRKRY-QRADWQMASA-N -1 0 333.453 3.787 20 0 EHADRM C[C@@H]1C[C@H](CC(=O)N(CCC(=O)[O-])Cc2ccncc2)CC(C)(C)C1 ZINC000828167443 601512310 /nfs/dbraw/zinc/51/23/10/601512310.db2.gz GTFUWCBXNMDNEF-NVXWUHKLSA-N -1 0 346.471 3.737 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccccc1Sc1ccccc1)C1CC1 ZINC000833200633 601522487 /nfs/dbraw/zinc/52/24/87/601522487.db2.gz WMICYXFHUICQBO-INIZCTEOSA-N -1 0 341.432 3.821 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000767075248 601533450 /nfs/dbraw/zinc/53/34/50/601533450.db2.gz WFDSASMBAITAJT-HZMBPMFUSA-N -1 0 343.345 3.569 20 0 EHADRM O=C([O-])CCCNC(=O)N1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000556907506 601555668 /nfs/dbraw/zinc/55/56/68/601555668.db2.gz HSAHZKASZKFFKH-QOHRORDFSA-N -1 0 330.428 3.519 20 0 EHADRM CC(C)C(=O)Nc1ccc(OCc2ccc(F)cc2C(=O)[O-])cc1 ZINC000826658521 601557817 /nfs/dbraw/zinc/55/78/17/601557817.db2.gz QEYNZSIBGAZMDT-UHFFFAOYSA-N -1 0 331.343 3.697 20 0 EHADRM O=C([O-])c1sc2ccccc2c1COC(=O)C1CC(F)(F)C1 ZINC000833347467 601567891 /nfs/dbraw/zinc/56/78/91/601567891.db2.gz FTVJHTJSCFZEOJ-UHFFFAOYSA-N -1 0 326.320 3.688 20 0 EHADRM CCCc1c(C(=O)Nc2cnc(Cl)c(C)c2)[nH]c(C)c1C(=O)[O-] ZINC000829562575 601581131 /nfs/dbraw/zinc/58/11/31/601581131.db2.gz KYDUAQKTZJZCHC-UHFFFAOYSA-N -1 0 335.791 3.583 20 0 EHADRM C[C@@H](CC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000538465481 601581344 /nfs/dbraw/zinc/58/13/44/601581344.db2.gz AZTLPENJGJYQNA-GTNSWQLSSA-N -1 0 349.789 3.915 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000776650784 601582246 /nfs/dbraw/zinc/58/22/46/601582246.db2.gz QSCULMQMNHJRNV-SIFUEBAJSA-N -1 0 347.773 3.825 20 0 EHADRM O=C([O-])C1CCN(C(=O)N[C@@H](c2ccccc2F)C2CCCC2)CC1 ZINC000263283713 601585393 /nfs/dbraw/zinc/58/53/93/601585393.db2.gz UFHAVJUUWFMPBM-QGZVFWFLSA-N -1 0 348.418 3.563 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc(Cl)ccc1F)c1ccc(Cl)cc1 ZINC000345865104 601585468 /nfs/dbraw/zinc/58/54/68/601585468.db2.gz SBSYRQUFACLOHJ-CYBMUJFWSA-N -1 0 342.153 3.688 20 0 EHADRM CCCCS[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000263171951 601586449 /nfs/dbraw/zinc/58/64/49/601586449.db2.gz RUBHMIKJFWAAJN-GWCFXTLKSA-N -1 0 329.849 3.504 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1F)C1CC1 ZINC000833123425 601591625 /nfs/dbraw/zinc/59/16/25/601591625.db2.gz SSOMOFRVSGHPKB-MRXNPFEDSA-N -1 0 347.773 3.739 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1sc(Cl)nc1C)c1ccccc1 ZINC000828595244 601591717 /nfs/dbraw/zinc/59/17/17/601591717.db2.gz VCTRHERJTSQGLV-NSHDSACASA-N -1 0 338.816 3.615 20 0 EHADRM COC(=O)c1cc(NCc2c(F)cccc2Cl)cc(C(=O)[O-])c1 ZINC000831323047 601597096 /nfs/dbraw/zinc/59/70/96/601597096.db2.gz PRFGPXXFANKRET-UHFFFAOYSA-N -1 0 337.734 3.576 20 0 EHADRM COc1ccc(C(=O)[O-])c(OCc2ncc(-c3ccc(C)cc3)o2)c1 ZINC000832183204 601600377 /nfs/dbraw/zinc/60/03/77/601600377.db2.gz RTBCWHXEPMQPPH-UHFFFAOYSA-N -1 0 339.347 3.936 20 0 EHADRM Cc1ccc(C)c(NC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000832926463 601614454 /nfs/dbraw/zinc/61/44/54/601614454.db2.gz REQUCBBOJXTECC-WMLDXEAASA-N -1 0 326.396 3.887 20 0 EHADRM Cc1ccc(NC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c(C)c1 ZINC000832946557 601614668 /nfs/dbraw/zinc/61/46/68/601614668.db2.gz IWHPORDCCQJFNA-PBHICJAKSA-N -1 0 326.396 3.887 20 0 EHADRM Cc1ccc(F)c(NC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000832936098 601615242 /nfs/dbraw/zinc/61/52/42/601615242.db2.gz XVZUEXDLGORHFZ-LRDDRELGSA-N -1 0 330.359 3.718 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1ccc(Oc2ccccc2)o1 ZINC000238098219 601616940 /nfs/dbraw/zinc/61/69/40/601616940.db2.gz YUUUVXLTYSPCHA-UHFFFAOYSA-N -1 0 337.331 3.951 20 0 EHADRM Cc1ccccc1CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000013175563 601618734 /nfs/dbraw/zinc/61/87/34/601618734.db2.gz FQBMUIJKNHFXKM-INIZCTEOSA-N -1 0 331.799 3.523 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCc1ccsc1)c1ccc(Cl)cc1 ZINC000262053344 601621363 /nfs/dbraw/zinc/62/13/63/601621363.db2.gz FYCPCQFFMKTZOB-AWEZNQCLSA-N -1 0 337.828 3.666 20 0 EHADRM C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)c1cccc(F)c1 ZINC000345918246 601621448 /nfs/dbraw/zinc/62/14/48/601621448.db2.gz YZSCDOFATBFSLA-ZBEGNZNMSA-N -1 0 349.789 3.915 20 0 EHADRM CSc1cc(C)ccc1CNC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000832774618 601623349 /nfs/dbraw/zinc/62/33/49/601623349.db2.gz SIWBBSOTTFZTET-UHFFFAOYSA-N -1 0 330.409 3.737 20 0 EHADRM O=C([O-])[C@H]1CCCCN1C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000136523355 601629181 /nfs/dbraw/zinc/62/91/81/601629181.db2.gz GHPMMKFOMRMOQC-COPLHBTASA-N -1 0 342.222 3.563 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCCCC[C@H]2[C@H]2CCCCC2=O)c1 ZINC000821547502 601630022 /nfs/dbraw/zinc/63/00/22/601630022.db2.gz WZCMRTAKVXDOOV-SJORKVTESA-N -1 0 343.423 3.529 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(C(=O)N(CC(=O)[O-])C2CC2)cc1F ZINC000237649232 601635447 /nfs/dbraw/zinc/63/54/47/601635447.db2.gz YVLLQWWSVDWOSY-UHFFFAOYSA-N -1 0 345.345 3.629 20 0 EHADRM CCCCC[C@@H](NC(=O)c1sc(C(C)(C)C)nc1C)C(=O)[O-] ZINC000776662441 601640123 /nfs/dbraw/zinc/64/01/23/601640123.db2.gz JUQGFQYUCOEQQC-LLVKDONJSA-N -1 0 326.462 3.512 20 0 EHADRM CC(=O)N1CCCN(Cc2cc(C(=O)[O-])sc2C)c2ccccc21 ZINC000825833557 601644112 /nfs/dbraw/zinc/64/41/12/601644112.db2.gz FBEGJNAGAPNBRE-UHFFFAOYSA-N -1 0 344.436 3.518 20 0 EHADRM Cc1sc(NC(=O)Cc2cccc(F)c2F)c(C(=O)[O-])c1C ZINC000316527082 601644623 /nfs/dbraw/zinc/64/46/23/601644623.db2.gz ZIHDGTYSSHBIRI-UHFFFAOYSA-N -1 0 325.336 3.523 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NCc1csc(-c2ccco2)n1)c1ccccc1 ZINC000826051202 601649899 /nfs/dbraw/zinc/64/98/99/601649899.db2.gz BIVDZJHTPLZDBY-MLGOLLRUSA-N -1 0 342.420 3.955 20 0 EHADRM C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000827581931 601654907 /nfs/dbraw/zinc/65/49/07/601654907.db2.gz UGOMQZNHNMRLJC-VIFPVBQESA-N -1 0 339.413 3.952 20 0 EHADRM Cc1nc(CC(C)C)c(C(=O)N2CCc3cc(C(=O)[O-])ccc32)s1 ZINC000761420515 601658253 /nfs/dbraw/zinc/65/82/53/601658253.db2.gz OIMHYYZVEPNAGH-UHFFFAOYSA-N -1 0 344.436 3.551 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)C1 ZINC000369707970 601663785 /nfs/dbraw/zinc/66/37/85/601663785.db2.gz YFJHWDLFCUSMTO-HOTGVXAUSA-N -1 0 347.842 3.847 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)CCCc1cc(Cl)sc1Cl ZINC000237019555 601669419 /nfs/dbraw/zinc/66/94/19/601669419.db2.gz LTBZQPVHAJSOBB-UHFFFAOYSA-N -1 0 338.256 3.701 20 0 EHADRM O=C([O-])c1ccc(CSc2ccc3c(c2)OCCCO3)cc1F ZINC000323748744 601669970 /nfs/dbraw/zinc/66/99/70/601669970.db2.gz ULVRYNHXOVWRSJ-UHFFFAOYSA-N -1 0 334.368 3.978 20 0 EHADRM COc1ccc(NC(=O)CCCc2ccc(F)c(F)c2)c(C(=O)[O-])c1 ZINC000832393497 601672219 /nfs/dbraw/zinc/67/22/19/601672219.db2.gz BAKGSNAYQISUJI-UHFFFAOYSA-N -1 0 349.333 3.633 20 0 EHADRM Cc1nc(N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)sc1C ZINC000575050068 601678776 /nfs/dbraw/zinc/67/87/76/601678776.db2.gz YZLNUYRFROHYIJ-UHFFFAOYSA-N -1 0 327.409 3.502 20 0 EHADRM C[C@H](CN(C)C(=O)CCCc1cc(Cl)sc1Cl)C(=O)[O-] ZINC000237544301 601683104 /nfs/dbraw/zinc/68/31/04/601683104.db2.gz SHJFNEDKJFGPLN-MRVPVSSYSA-N -1 0 338.256 3.557 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000828790250 601684667 /nfs/dbraw/zinc/68/46/67/601684667.db2.gz ZALIDUSJIZDWQK-UHFFFAOYSA-N -1 0 335.297 3.608 20 0 EHADRM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)NCC(C)(C)C(=O)[O-] ZINC000827951726 601685820 /nfs/dbraw/zinc/68/58/20/601685820.db2.gz ZZFCSDZIZYNCSU-CQSZACIVSA-N -1 0 332.444 3.670 20 0 EHADRM CC(C)c1ccc(NC(=O)N2CCO[C@@H](CC(=O)[O-])C2)c(C(C)C)c1 ZINC000827125056 601689882 /nfs/dbraw/zinc/68/98/82/601689882.db2.gz XPQNKBBIERNKBA-HNNXBMFYSA-N -1 0 348.443 3.641 20 0 EHADRM Cc1ccccc1CC1CN(C(=O)Nc2cccc(NC(=O)[O-])c2)C1 ZINC000832980391 601696427 /nfs/dbraw/zinc/69/64/27/601696427.db2.gz CAKMMUCSZPGUSU-UHFFFAOYSA-N -1 0 339.395 3.791 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2c(cccc2F)[nH]1)c1ccc(Cl)cc1 ZINC000345746951 601699871 /nfs/dbraw/zinc/69/98/71/601699871.db2.gz LAVYVQJRNTXRMN-OAHLLOKOSA-N -1 0 346.745 3.516 20 0 EHADRM O=C([O-])[C@]1(F)CCN(C(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000833159521 601704887 /nfs/dbraw/zinc/70/48/87/601704887.db2.gz HUPJGXUOLVGKNN-SFHVURJKSA-N -1 0 344.342 3.509 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2cc(C(F)(F)F)ccc2F)CCCC1 ZINC000325408527 601708239 /nfs/dbraw/zinc/70/82/39/601708239.db2.gz JOMJFBZGBQLEHS-UHFFFAOYSA-N -1 0 348.296 3.611 20 0 EHADRM Cc1cccc(CC2CN(C(=O)Nc3ccc(C(=O)[O-])c(C)c3)C2)c1 ZINC000832968206 601713771 /nfs/dbraw/zinc/71/37/71/601713771.db2.gz BHYWVRQVWUJTHW-UHFFFAOYSA-N -1 0 338.407 3.708 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cc3cc(F)ccc3[nH]2)cc1F ZINC000833352961 601715285 /nfs/dbraw/zinc/71/52/85/601715285.db2.gz LIZUKDNIWSIAED-UHFFFAOYSA-N -1 0 331.274 3.501 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cc(-c3ccccc3)no2)cc1F ZINC000833352668 601724139 /nfs/dbraw/zinc/72/41/39/601724139.db2.gz IGBAXPIXKYTQAL-UHFFFAOYSA-N -1 0 341.294 3.536 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2cccc(CC(F)(F)F)c2)CCCC1 ZINC000833135816 601728590 /nfs/dbraw/zinc/72/85/90/601728590.db2.gz JIWHXTDCRZBQPF-UHFFFAOYSA-N -1 0 344.333 3.558 20 0 EHADRM Cc1ccc(NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])c(C)n1 ZINC000832947855 601739686 /nfs/dbraw/zinc/73/96/86/601739686.db2.gz FRZQCLDQLHKCRE-LBPRGKRZSA-N -1 0 330.409 3.516 20 0 EHADRM CC[C@H](CC(=O)N[C@@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000678989410 601746518 /nfs/dbraw/zinc/74/65/18/601746518.db2.gz PTFIWWSTCZSMOW-FZKQIMNGSA-N -1 0 329.371 3.652 20 0 EHADRM CC[C@@H]1CC[C@@H](C(=O)O[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)O1 ZINC000829081095 601747664 /nfs/dbraw/zinc/74/76/64/601747664.db2.gz KBVXMASLJGLRRG-JIMOISOXSA-N -1 0 347.194 3.620 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)NCC(C)(C)C(=O)[O-])ccc21 ZINC000826918086 601754581 /nfs/dbraw/zinc/75/45/81/601754581.db2.gz SQRWWRIPDPTJAC-UHFFFAOYSA-N -1 0 331.416 3.530 20 0 EHADRM Cc1[nH]c(C(=O)N(CC2CCC2)c2ccccc2)c(C)c1C(=O)[O-] ZINC000832843035 601755512 /nfs/dbraw/zinc/75/55/12/601755512.db2.gz HMJHRXAJCVYOJU-UHFFFAOYSA-N -1 0 326.396 3.777 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccccc2Oc2ccccc2)C[C@H]1C(=O)[O-] ZINC000327560585 601772262 /nfs/dbraw/zinc/77/22/62/601772262.db2.gz DYEBCUYOBMPEDR-DZGCQCFKSA-N -1 0 340.379 3.663 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(-c3ccccc3)cc2F)C[C@H]1C(=O)[O-] ZINC000828368640 601776388 /nfs/dbraw/zinc/77/63/88/601776388.db2.gz GLRYZFJRSMPKFG-SWLSCSKDSA-N -1 0 342.370 3.677 20 0 EHADRM O=C([O-])[C@H](c1ccc(F)cc1)N1CC(c2nc3ccccc3s2)C1 ZINC000833172392 601802003 /nfs/dbraw/zinc/80/20/03/601802003.db2.gz UNNFLMQQJVBBAF-INIZCTEOSA-N -1 0 342.395 3.661 20 0 EHADRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1cc2cccc(Cl)c2o1 ZINC000238002768 601803032 /nfs/dbraw/zinc/80/30/32/601803032.db2.gz SDCGBIVNRNAMFW-AWEZNQCLSA-N -1 0 343.766 3.512 20 0 EHADRM O=C([O-])c1c(C2CC2)csc1NC(=O)c1cnc2ccccc2n1 ZINC000833161874 601807354 /nfs/dbraw/zinc/80/73/54/601807354.db2.gz IIOBUYMOKUQLCG-UHFFFAOYSA-N -1 0 339.376 3.519 20 0 EHADRM C[C@H](Oc1cccc(F)c1)C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000827894927 601809651 /nfs/dbraw/zinc/80/96/51/601809651.db2.gz CPKUMWOIIUONFT-VIFPVBQESA-N -1 0 349.383 3.869 20 0 EHADRM O=C([O-])c1ccc(CSCc2nccn2CC(F)(F)F)cc1F ZINC000833317657 601813619 /nfs/dbraw/zinc/81/36/19/601813619.db2.gz XQHZUKTWBDCHII-UHFFFAOYSA-N -1 0 348.321 3.716 20 0 EHADRM Cc1cc2[nH]c(C(=O)N3CCC(CCC(=O)[O-])CC3)cc2c(C)c1 ZINC000537479675 601818052 /nfs/dbraw/zinc/81/80/52/601818052.db2.gz OAOYCJCXRQZKKA-UHFFFAOYSA-N -1 0 328.412 3.502 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2cc(-c3ccccc3)ns2)CC1 ZINC000659775593 601822064 /nfs/dbraw/zinc/82/20/64/601822064.db2.gz YKXFBTNLTCZZIS-UHFFFAOYSA-N -1 0 344.436 3.527 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)C1CC1 ZINC000659398974 601827541 /nfs/dbraw/zinc/82/75/41/601827541.db2.gz WJRWYTGQHZHSPV-LJQANCHMSA-N -1 0 344.455 3.733 20 0 EHADRM O=C([O-])c1cc(F)c(F)cc1NCc1nccn1Cc1ccccc1 ZINC000833299872 601831418 /nfs/dbraw/zinc/83/14/18/601831418.db2.gz WNXFYUGONLLSKY-UHFFFAOYSA-N -1 0 343.333 3.520 20 0 EHADRM COc1ccc(-c2cncc(C(=O)Nc3ccc(C(=O)[O-])cc3)c2)cc1 ZINC000500650082 601844755 /nfs/dbraw/zinc/84/47/55/601844755.db2.gz SOKBIKWPXDAYOF-UHFFFAOYSA-N -1 0 348.358 3.708 20 0 EHADRM O=C([O-])c1ccc(CSCC(=O)Nc2cc(F)cc(F)c2)s1 ZINC000833115487 601847113 /nfs/dbraw/zinc/84/71/13/601847113.db2.gz CLFYMOSDIJUUBN-UHFFFAOYSA-N -1 0 343.376 3.596 20 0 EHADRM C[C@@H](NC(=O)CSCc1ccc(C(=O)[O-])s1)c1cccs1 ZINC000827636707 601847224 /nfs/dbraw/zinc/84/72/24/601847224.db2.gz NSOJRJOTWQGYMR-SECBINFHSA-N -1 0 341.479 3.618 20 0 EHADRM Cc1ccc(-c2cncc(C(=O)N[C@@H](C(=O)[O-])c3ccccc3)c2)cc1 ZINC000237736214 601852817 /nfs/dbraw/zinc/85/28/17/601852817.db2.gz XLAUZMKCXKSYAS-LJQANCHMSA-N -1 0 346.386 3.613 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)N[C@@H]2CCc3cc(Cl)ccc32)c1 ZINC000833146133 601858700 /nfs/dbraw/zinc/85/87/00/601858700.db2.gz WYJYPPXKDZVUBX-MRXNPFEDSA-N -1 0 344.798 3.525 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)C2(Cc3ccccc3)CCC2)c2ccccc21 ZINC000833192513 601863451 /nfs/dbraw/zinc/86/34/51/601863451.db2.gz ZUNCMPSBIGVMBD-KRWDZBQOSA-N -1 0 335.403 3.614 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)NCc2cccc3ccccc32)c1 ZINC000327467693 601865485 /nfs/dbraw/zinc/86/54/85/601865485.db2.gz IQCZDPXGTKKSPA-UHFFFAOYSA-N -1 0 334.375 3.537 20 0 EHADRM Cc1cccc(CCC(=O)Oc2ccc(SCC(=O)[O-])cc2)c1 ZINC000832967407 601872151 /nfs/dbraw/zinc/87/21/51/601872151.db2.gz AUVWKVGFFUIGLH-UHFFFAOYSA-N -1 0 330.405 3.710 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)CCSc2ccccc2)cc1 ZINC000833264778 601877543 /nfs/dbraw/zinc/87/75/43/601877543.db2.gz YWMXJPJSLXXWTD-UHFFFAOYSA-N -1 0 348.445 3.951 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)NCc2cccc(C(=O)[O-])c2)c1C ZINC000666530588 601879252 /nfs/dbraw/zinc/87/92/52/601879252.db2.gz PDBGFKOTMDQHHJ-CQSZACIVSA-N -1 0 326.396 3.562 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)[C@@H]2CCCc3ccccc32)cc1 ZINC000833263430 601879989 /nfs/dbraw/zinc/87/99/89/601879989.db2.gz OUUBGSJIFLJRCT-QGZVFWFLSA-N -1 0 342.416 3.889 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)c1cc(Cl)ccc1F ZINC000262074764 601903073 /nfs/dbraw/zinc/90/30/73/601903073.db2.gz GAGLLCIGEDCFDC-BXUZGUMPSA-N -1 0 327.783 3.633 20 0 EHADRM CC(C)Oc1ccccc1CC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000537366277 601911491 /nfs/dbraw/zinc/91/14/91/601911491.db2.gz NFALYQHOTPIJPA-DLBZAZTESA-N -1 0 347.455 3.556 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)Cc1cc2ccccc2o1 ZINC000833117461 601913391 /nfs/dbraw/zinc/91/33/91/601913391.db2.gz VSPWWJVGVRBNLJ-HOTGVXAUSA-N -1 0 329.396 3.515 20 0 EHADRM Cc1c(C(=O)NCc2cccc(C(=O)[O-])c2)sc2cccc(F)c12 ZINC000237815193 601917139 /nfs/dbraw/zinc/91/71/39/601917139.db2.gz LFJHVNQNWDLVNB-UHFFFAOYSA-N -1 0 343.379 3.977 20 0 EHADRM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC000532254364 601921106 /nfs/dbraw/zinc/92/11/06/601921106.db2.gz KPKSKYUUEDRFNI-MOPGFXCFSA-N -1 0 337.419 3.928 20 0 EHADRM O=C([O-])NCCc1ccc(CNc2ccc(C(F)(F)F)cn2)cc1 ZINC000740671764 601922716 /nfs/dbraw/zinc/92/27/16/601922716.db2.gz SYWXZNUMYWUARM-UHFFFAOYSA-N -1 0 339.317 3.523 20 0 EHADRM Cc1occc1C(=O)O[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000833030560 601933224 /nfs/dbraw/zinc/93/32/24/601933224.db2.gz YZGPFBWPEPEVRS-GFCCVEGCSA-N -1 0 329.135 3.878 20 0 EHADRM CCOc1cccc(NC(=S)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000818251111 601954404 /nfs/dbraw/zinc/95/44/04/601954404.db2.gz BWFGBLIFBAAIEU-UHFFFAOYSA-N -1 0 330.409 3.521 20 0 EHADRM O=C([O-])c1cccc(OCc2noc(-c3cccc(Cl)c3F)n2)c1 ZINC000833333318 601970670 /nfs/dbraw/zinc/97/06/70/601970670.db2.gz UQQLSLLLMWHIQB-UHFFFAOYSA-N -1 0 348.717 3.806 20 0 EHADRM CC(C)Oc1ccc(F)cc1NC(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000738865422 601988066 /nfs/dbraw/zinc/98/80/66/601988066.db2.gz PVXSNFXOPXJZNT-UHFFFAOYSA-N -1 0 346.358 3.633 20 0 EHADRM CC(C)CCC1CCN(C(=O)Nc2cccc(OCC(=O)[O-])c2)CC1 ZINC000826845295 601988115 /nfs/dbraw/zinc/98/81/15/601988115.db2.gz SXZLOGJOIOISBT-UHFFFAOYSA-N -1 0 348.443 3.830 20 0 EHADRM CC[C@H](C)[C@@H](C)NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000828707273 601988955 /nfs/dbraw/zinc/98/89/55/601988955.db2.gz FIFGITTXSJQHIK-DTWKUNHWSA-N -1 0 332.322 3.960 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)c2cccc(Cl)c2F)cc1 ZINC000833238386 601992556 /nfs/dbraw/zinc/99/25/56/601992556.db2.gz AAHVAODEDHMCOE-UHFFFAOYSA-N -1 0 337.734 3.585 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000827908218 602003489 /nfs/dbraw/zinc/00/34/89/602003489.db2.gz GYVMMNKYTOEEDK-LLVKDONJSA-N -1 0 336.434 3.811 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(-c3ccccc3)ccc2Cl)C1 ZINC000237655828 602003883 /nfs/dbraw/zinc/00/38/83/602003883.db2.gz ILROKDDYECPSID-LJQANCHMSA-N -1 0 343.810 3.944 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)Nc2ccc(Oc3ccccc3)cc2C(=O)[O-])O1 ZINC000828207798 602005365 /nfs/dbraw/zinc/00/53/65/602005365.db2.gz RHFADDZAPOVSJZ-PXAZEXFGSA-N -1 0 341.363 3.683 20 0 EHADRM Cc1cc2nc(Nc3cccc(CC(=O)[O-])c3)c3ccccc3n2n1 ZINC000738248688 602010019 /nfs/dbraw/zinc/01/00/19/602010019.db2.gz ADKCFPLCZGYPLV-UHFFFAOYSA-N -1 0 332.363 3.562 20 0 EHADRM C/C(=C/C(=O)N(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1)C(C)(C)C ZINC000825716716 602012658 /nfs/dbraw/zinc/01/26/58/602012658.db2.gz NKDXJKMOFLIWAL-WUKHSURWSA-N -1 0 343.345 3.680 20 0 EHADRM Nc1cc(Cl)c(Cl)c(C(=O)OCc2ccc(C(=O)[O-])s2)c1 ZINC000833090517 602012673 /nfs/dbraw/zinc/01/26/73/602012673.db2.gz NAEVVHWVPCHCKJ-UHFFFAOYSA-N -1 0 346.191 3.692 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000832853932 602014141 /nfs/dbraw/zinc/01/41/41/602014141.db2.gz YXIOXAYRBABKFY-IBGZPJMESA-N -1 0 348.443 3.639 20 0 EHADRM Cc1ccc(-c2cncc(C(=O)OCc3occc3C(=O)[O-])c2)cc1 ZINC000832907637 602015403 /nfs/dbraw/zinc/01/54/03/602015403.db2.gz ZCJBKHZVWWMWAI-UHFFFAOYSA-N -1 0 337.331 3.705 20 0 EHADRM Cc1nc2cc(F)ccc2cc1C(=O)NCCCCCCCC(=O)[O-] ZINC000237747352 602021201 /nfs/dbraw/zinc/02/12/01/602021201.db2.gz CXPCDKZWNQOAMJ-UHFFFAOYSA-N -1 0 346.402 3.837 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)c2cccc3cccnc32)c1 ZINC000740706085 602027504 /nfs/dbraw/zinc/02/75/04/602027504.db2.gz XUOTTWWMLGXGJP-UHFFFAOYSA-N -1 0 325.299 3.716 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)c2cc(-c3ccccc3)[nH]n2)c1 ZINC000740703975 602027680 /nfs/dbraw/zinc/02/76/80/602027680.db2.gz FXVYYFSFUJCMNZ-UHFFFAOYSA-N -1 0 340.314 3.558 20 0 EHADRM O=C([O-])c1ccc(OC(=O)COC/C=C/c2ccccc2)c(Cl)c1 ZINC000833114398 602033867 /nfs/dbraw/zinc/03/38/67/602033867.db2.gz MQZVNNWDCJDLAT-QPJJXVBHSA-N -1 0 346.766 3.674 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)Nc1cccc2[nH]ccc21 ZINC000833159950 602037941 /nfs/dbraw/zinc/03/79/41/602037941.db2.gz NRAPMIDDUPTSTH-XJKSGUPXSA-N -1 0 329.400 3.713 20 0 EHADRM CCCOc1cc(F)ccc1NC(=O)c1[nH]c(CC)c(C(=O)[O-])c1C ZINC000829528041 602041061 /nfs/dbraw/zinc/04/10/61/602041061.db2.gz OZNWKUXIRJJOGG-UHFFFAOYSA-N -1 0 348.374 3.764 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)N[C@H]1CCCc2ccccc21 ZINC000403080678 602054432 /nfs/dbraw/zinc/05/44/32/602054432.db2.gz ZNHWCFSLFPTYSR-KRWDZBQOSA-N -1 0 332.444 3.788 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000262994472 602061308 /nfs/dbraw/zinc/06/13/08/602061308.db2.gz MDJLNFTTXPOEDA-LPHOPBHVSA-N -1 0 348.418 3.563 20 0 EHADRM O=C([O-])c1ccc(OCc2ccccc2)c(NC(=O)c2cc[nH]c2)c1 ZINC000833322258 602063219 /nfs/dbraw/zinc/06/32/19/602063219.db2.gz IAAJSLFNMPGOKN-UHFFFAOYSA-N -1 0 336.347 3.544 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000345872345 602066694 /nfs/dbraw/zinc/06/66/94/602066694.db2.gz WDLVDIPJTSVLKN-CYBMUJFWSA-N -1 0 329.421 3.681 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000261911650 602068690 /nfs/dbraw/zinc/06/86/90/602068690.db2.gz QHGHRAIDDYDBPH-NEPJUHHUSA-N -1 0 329.318 3.621 20 0 EHADRM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000392662610 602068883 /nfs/dbraw/zinc/06/88/83/602068883.db2.gz UDALKYCWZAHTJO-LBPRGKRZSA-N -1 0 347.798 3.682 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)CCOc2ccc3ccccc3c2)c1 ZINC000738621122 602072165 /nfs/dbraw/zinc/07/21/65/602072165.db2.gz LYAORBNZTFRODU-UHFFFAOYSA-N -1 0 349.386 3.875 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2cc(Cl)nc3ccccc32)c1 ZINC000392522497 602075886 /nfs/dbraw/zinc/07/58/86/602075886.db2.gz LGTRIZKGCUBCKJ-UHFFFAOYSA-N -1 0 340.766 3.768 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2ccc(N3CCCCC3)cc2)c1 ZINC000532689945 602077142 /nfs/dbraw/zinc/07/71/42/602077142.db2.gz HIRKZXFIKSVZSR-UHFFFAOYSA-N -1 0 338.407 3.556 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2c3c(nc4ccccc42)CCC3)c1 ZINC000428104585 602078645 /nfs/dbraw/zinc/07/86/45/602078645.db2.gz TXYVOKHGCSAVPK-UHFFFAOYSA-N -1 0 346.386 3.603 20 0 EHADRM O=C([O-])NCC(=O)N[C@@H](CCCCc1ccccc1)c1ccccc1 ZINC000286661608 602079870 /nfs/dbraw/zinc/07/98/70/602079870.db2.gz DHRQVRGZFXYVOP-SFHVURJKSA-N -1 0 340.423 3.525 20 0 EHADRM Cc1nc(C)c(C(=O)O[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)o1 ZINC000832994775 602089447 /nfs/dbraw/zinc/08/94/47/602089447.db2.gz PTVAOKBFMNRHDQ-LBPRGKRZSA-N -1 0 344.150 3.581 20 0 EHADRM C[C@H](CC(=O)[O-])c1nc(-c2ccc(Oc3ccc(F)cc3)nc2)no1 ZINC000827392183 602102740 /nfs/dbraw/zinc/10/27/40/602102740.db2.gz UWURDOJVQCPOKC-SNVBAGLBSA-N -1 0 343.314 3.641 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Nc2nc3ccsc3s2)c1 ZINC000738622710 602104154 /nfs/dbraw/zinc/10/41/54/602104154.db2.gz INWXXSSTHWSQRN-UHFFFAOYSA-N -1 0 333.394 3.629 20 0 EHADRM O=C([O-])CN(Cc1ccccc1)C(=O)c1ccc2sccc2c1 ZINC000346034066 602121427 /nfs/dbraw/zinc/12/14/27/602121427.db2.gz ZHFXSQWLGKQXSN-UHFFFAOYSA-N -1 0 325.389 3.628 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)Nc1cccc(CO[C@H]2CCC[C@@H](C)C2)c1 ZINC000828246342 602130172 /nfs/dbraw/zinc/13/01/72/602130172.db2.gz UVJXCBNWURGKQA-KEYYUXOJSA-N -1 0 333.428 3.831 20 0 EHADRM CCO[C@H](CC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C)C(C)C ZINC000829912573 602131431 /nfs/dbraw/zinc/13/14/31/602131431.db2.gz LQEYVTZPRDUGKA-MRXNPFEDSA-N -1 0 337.416 3.562 20 0 EHADRM C[C@@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)C1=CCCC1 ZINC000827948795 602135381 /nfs/dbraw/zinc/13/53/81/602135381.db2.gz DUMBOGCIUKWYGH-ZDUSSCGKSA-N -1 0 340.379 3.573 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2ccc3nc(Cl)ccc3c2)c1 ZINC000738625451 602143438 /nfs/dbraw/zinc/14/34/38/602143438.db2.gz QYCUDDLEDAXDTA-UHFFFAOYSA-N -1 0 340.766 3.768 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000827873888 602149908 /nfs/dbraw/zinc/14/99/08/602149908.db2.gz SBOBHILNCGKLHU-CYBMUJFWSA-N -1 0 334.416 3.521 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2c(F)cccc2N2CCCC2)c1 ZINC000740033955 602158683 /nfs/dbraw/zinc/15/86/83/602158683.db2.gz PRDDBAZDFPZNDL-UHFFFAOYSA-N -1 0 343.358 3.768 20 0 EHADRM Cc1cccc(Oc2ccc(NC(=O)[C@H](C)CC(=O)[O-])cn2)c1C ZINC000832975347 602164295 /nfs/dbraw/zinc/16/42/95/602164295.db2.gz RMPMFZHLVKEIBC-GFCCVEGCSA-N -1 0 328.368 3.540 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)c2cc3ccc(C)cc3[nH]2)c1 ZINC000739917851 602172805 /nfs/dbraw/zinc/17/28/05/602172805.db2.gz OGBHVCNFDDRRTE-UHFFFAOYSA-N -1 0 339.351 3.827 20 0 EHADRM Cc1ccnc(Oc2cc(NC(=O)[C@H](C)CC(=O)[O-])ccc2C)c1 ZINC000832983592 602174483 /nfs/dbraw/zinc/17/44/83/602174483.db2.gz APVCQUWWTIBFHO-CYBMUJFWSA-N -1 0 328.368 3.540 20 0 EHADRM CC1=NN(c2ccc(C(=O)Nc3ccccc3NC(=O)[O-])cc2)CC1 ZINC000739074613 602175057 /nfs/dbraw/zinc/17/50/57/602175057.db2.gz WUKPEVFLGZGFBO-UHFFFAOYSA-N -1 0 338.367 3.615 20 0 EHADRM Cc1cnn(-c2ccc(C(=O)Nc3ccccc3NC(=O)[O-])cc2)c1 ZINC000740196934 602175244 /nfs/dbraw/zinc/17/52/44/602175244.db2.gz DCVDHSDUVDCTAX-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000191327771 602178627 /nfs/dbraw/zinc/17/86/27/602178627.db2.gz XRPSPXJEVQYQDM-QMMMGPOBSA-N -1 0 325.773 3.506 20 0 EHADRM COc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000738124436 602180567 /nfs/dbraw/zinc/18/05/67/602180567.db2.gz NCFVSTZJQOXATM-INIZCTEOSA-N -1 0 340.379 3.762 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)NC(C)(C)Cc1ccc(Cl)cc1Cl ZINC000827272041 602181263 /nfs/dbraw/zinc/18/12/63/602181263.db2.gz NCWATPSCJOPHHG-VIFPVBQESA-N -1 0 332.227 3.542 20 0 EHADRM C[C@@H](c1cccc(Cl)c1)S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000818070956 602181501 /nfs/dbraw/zinc/18/15/01/602181501.db2.gz HBHAZUFOYONGSW-NSHDSACASA-N -1 0 338.812 3.714 20 0 EHADRM CC(C)c1nn(C)c2sc(C(=O)Nc3cc(C(=O)[O-])cs3)cc12 ZINC000191383373 602182110 /nfs/dbraw/zinc/18/21/10/602182110.db2.gz YXRHOUILZPHZTB-UHFFFAOYSA-N -1 0 349.437 3.770 20 0 EHADRM C/C=C/c1ccc(OCC(=O)Nc2cc(C(=O)[O-])cs2)c(OC)c1 ZINC000571263767 602186533 /nfs/dbraw/zinc/18/65/33/602186533.db2.gz WOCUGDSJXQMNQU-ONEGZZNKSA-N -1 0 347.392 3.506 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)Nc3cc(C(=O)[O-])cs3)c2c1 ZINC000191333034 602189613 /nfs/dbraw/zinc/18/96/13/602189613.db2.gz RSGNPKXUSLUAAO-UHFFFAOYSA-N -1 0 328.393 3.807 20 0 EHADRM CC[C@H](OC(=O)[C@@H](C)CC(=O)[O-])c1cccc(Br)c1 ZINC000829004656 602189809 /nfs/dbraw/zinc/18/98/09/602189809.db2.gz OCCZZRWCMFYSOQ-CABZTGNLSA-N -1 0 329.190 3.554 20 0 EHADRM Cc1nc(-c2ccccc2)ncc1C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000832992379 602189985 /nfs/dbraw/zinc/18/99/85/602189985.db2.gz HUENAOBXQMRKQF-UHFFFAOYSA-N -1 0 348.362 3.794 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000740215353 602199525 /nfs/dbraw/zinc/19/95/25/602199525.db2.gz PXUSPQPEOXYXJD-UHFFFAOYSA-N -1 0 347.440 3.769 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)CCSc2ccc(F)cc2)c1 ZINC000740676101 602200376 /nfs/dbraw/zinc/20/03/76/602200376.db2.gz MAKZWWIIRFVTFO-UHFFFAOYSA-N -1 0 348.399 3.714 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)OCc1csc(C2CCCC2)n1 ZINC000739232059 602212476 /nfs/dbraw/zinc/21/24/76/602212476.db2.gz KIAKKQSDOZNKMK-GXFFZTMASA-N -1 0 340.445 3.526 20 0 EHADRM CCCCN(CC)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000829389852 602222326 /nfs/dbraw/zinc/22/23/26/602222326.db2.gz VBFNIVUFAPNKKU-UHFFFAOYSA-N -1 0 344.411 3.957 20 0 EHADRM CC(C)[C@@H](C)N(C)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000826680089 602227048 /nfs/dbraw/zinc/22/70/48/602227048.db2.gz AMUPTHYUKYZERO-CYBMUJFWSA-N -1 0 344.411 3.811 20 0 EHADRM CCCC1(CNC(=O)c2ccccc2S[C@H](C)C(=O)[O-])CCC1 ZINC000236794921 602230596 /nfs/dbraw/zinc/23/05/96/602230596.db2.gz XWRBJFNMTODPGA-CYBMUJFWSA-N -1 0 335.469 3.952 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)c2csc(C(C)C)n2)c1 ZINC000739918415 602235355 /nfs/dbraw/zinc/23/53/55/602235355.db2.gz UAABCDWHXUAQCO-UHFFFAOYSA-N -1 0 335.385 3.617 20 0 EHADRM COc1cccc(NC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])c1 ZINC000832562563 602235872 /nfs/dbraw/zinc/23/58/72/602235872.db2.gz NUFYRFABUBKUBV-MRXNPFEDSA-N -1 0 342.395 3.669 20 0 EHADRM O=C(CCCOc1ccccc1)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000740353619 602242649 /nfs/dbraw/zinc/24/26/49/602242649.db2.gz CYQSWKBTZRQEMH-UHFFFAOYSA-N -1 0 340.379 3.525 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)CCCc3cccs3)ccc21 ZINC000740354101 602244584 /nfs/dbraw/zinc/24/45/84/602244584.db2.gz HGHSWTWERYBCSA-UHFFFAOYSA-N -1 0 330.409 3.750 20 0 EHADRM O=C([O-])N1CCN(C(=O)c2ccc(Cl)cc2F)c2ccccc2C1 ZINC000740526337 602246526 /nfs/dbraw/zinc/24/65/26/602246526.db2.gz KEJRBNIOPGEKMT-UHFFFAOYSA-N -1 0 348.761 3.620 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)C2CCCCC2)c2ccccc12 ZINC000237955695 602260691 /nfs/dbraw/zinc/26/06/91/602260691.db2.gz LQMXQDJUZZFNQB-UHFFFAOYSA-N -1 0 327.380 3.822 20 0 EHADRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])cs2)c(C)n1-c1nccs1 ZINC000191339684 602283856 /nfs/dbraw/zinc/28/38/56/602283856.db2.gz JQMVXEUIDQJIEA-UHFFFAOYSA-N -1 0 347.421 3.563 20 0 EHADRM COc1ccc(C)cc1CSCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000832258788 602290278 /nfs/dbraw/zinc/29/02/78/602290278.db2.gz MYJLDKWWUOHYJJ-UHFFFAOYSA-N -1 0 345.420 3.574 20 0 EHADRM CC(C)(CNC(=O)c1ccc(NC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000736322173 602294428 /nfs/dbraw/zinc/29/44/28/602294428.db2.gz QZDVYGQQYARRSM-UHFFFAOYSA-N -1 0 330.359 3.623 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N[C@H](c2ccccc2)c2cccnc2)c1 ZINC000740029020 602296015 /nfs/dbraw/zinc/29/60/15/602296015.db2.gz ODGSQPXGMPJXLX-GOSISDBHSA-N -1 0 347.374 3.691 20 0 EHADRM C[C@@H]1CC[C@H](CC(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)C1 ZINC000828220757 602303758 /nfs/dbraw/zinc/30/37/58/602303758.db2.gz DGHFLYPXPKMFOD-OLZOCXBDSA-N -1 0 340.423 3.577 20 0 EHADRM CCOc1cc(Cl)ccc1NC(=O)c1ccc(C(=O)[O-])s1 ZINC000237066281 602324219 /nfs/dbraw/zinc/32/42/19/602324219.db2.gz REWLMPORTZPXFA-UHFFFAOYSA-N -1 0 325.773 3.751 20 0 EHADRM CN(C(=O)CCc1ccc2ccccc2c1)c1ncc(C(=O)[O-])s1 ZINC000830478269 602341087 /nfs/dbraw/zinc/34/10/87/602341087.db2.gz OIDCTSNULVYJPK-UHFFFAOYSA-N -1 0 340.404 3.590 20 0 EHADRM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000391502319 602356192 /nfs/dbraw/zinc/35/61/92/602356192.db2.gz XDBKPDDVKRMEGV-SECBINFHSA-N -1 0 337.734 3.583 20 0 EHADRM Cc1cc(C(=O)NC[C@H](NC(=O)[O-])c2ccc(C(C)C)cc2)c(C)o1 ZINC000740061185 602361529 /nfs/dbraw/zinc/36/15/29/602361529.db2.gz SEYOPBRIYQVWCP-KRWDZBQOSA-N -1 0 344.411 3.759 20 0 EHADRM CCCN(C(=O)Nc1cc(C(=O)[O-])n(C)c1)[C@@H]1CCc2ccccc21 ZINC000829453247 602363921 /nfs/dbraw/zinc/36/39/21/602363921.db2.gz QULCYSOBADSGSS-MRXNPFEDSA-N -1 0 341.411 3.655 20 0 EHADRM CC[C@H](NC(=O)[O-])C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000739517970 602377958 /nfs/dbraw/zinc/37/79/58/602377958.db2.gz BJBQXJIOLMLQIF-UFBFGSQYSA-N -1 0 333.215 3.559 20 0 EHADRM CN(C(=O)Nc1ccc(C(=O)[O-])c(F)c1)[C@H]1CCc2ccccc21 ZINC000830500146 602378683 /nfs/dbraw/zinc/37/86/83/602378683.db2.gz LUAVFMGBRBYYGT-INIZCTEOSA-N -1 0 328.343 3.675 20 0 EHADRM CN(Cc1cccc2ccccc21)C(=O)C1CCC(NC(=O)[O-])CC1 ZINC000739711919 602379432 /nfs/dbraw/zinc/37/94/32/602379432.db2.gz IUVIEQIAMNYOMZ-UHFFFAOYSA-N -1 0 340.423 3.625 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])c(F)c1)Sc1ccccc1 ZINC000827486328 602379678 /nfs/dbraw/zinc/37/96/78/602379678.db2.gz LKRONABWSLLTKL-NSHDSACASA-N -1 0 348.399 3.826 20 0 EHADRM CCC[C@@H](NC(=O)[O-])C(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000739319747 602384103 /nfs/dbraw/zinc/38/41/03/602384103.db2.gz LFNYAPOEYWLFMS-CQSZACIVSA-N -1 0 343.383 3.594 20 0 EHADRM Cc1ccccc1[C@@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000832977542 602384743 /nfs/dbraw/zinc/38/47/43/602384743.db2.gz MTKFUOAOGZQSSN-CYBMUJFWSA-N -1 0 342.370 3.854 20 0 EHADRM C[C@H](NC(=O)[C@@H](NC(=O)[O-])c1ccccc1)c1ccc(Cl)s1 ZINC000739019116 602388259 /nfs/dbraw/zinc/38/82/59/602388259.db2.gz WBICSOIVENYBFJ-ZANVPECISA-N -1 0 338.816 3.588 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2(c3cccc(Cl)c3)CC2)cc1F ZINC000767207036 602393950 /nfs/dbraw/zinc/39/39/50/602393950.db2.gz WWCRROMDAYWDHJ-UHFFFAOYSA-N -1 0 333.746 3.848 20 0 EHADRM Cc1nc(CC(C)C)c(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)s1 ZINC000761747867 602395168 /nfs/dbraw/zinc/39/51/68/602395168.db2.gz BDWDNNHEVNDHGU-UHFFFAOYSA-N -1 0 336.388 3.740 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C(F)(F)c2cccc(Cl)c2)cc1F ZINC000833318301 602403368 /nfs/dbraw/zinc/40/33/68/602403368.db2.gz DCQJHIVRGGUVAP-UHFFFAOYSA-N -1 0 343.688 3.908 20 0 EHADRM O=C([O-])N[C@H](CCc1nc(-c2cccs2)no1)c1ccccc1 ZINC000740538483 602405661 /nfs/dbraw/zinc/40/56/61/602405661.db2.gz DVZCGAPVEGRXJF-GFCCVEGCSA-N -1 0 329.381 3.740 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc([C@@H]2CCCc3ccccc32)n1 ZINC000738814623 602406887 /nfs/dbraw/zinc/40/68/87/602406887.db2.gz DHLJIZOMABNYQE-CABCVRRESA-N -1 0 329.400 3.893 20 0 EHADRM Cc1cc(C)cc(OCc2nc([C@H](CC(C)C)NC(=O)[O-])no2)c1 ZINC000740067955 602408654 /nfs/dbraw/zinc/40/86/54/602408654.db2.gz NTDIIEYHBVGNBS-AWEZNQCLSA-N -1 0 333.388 3.620 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(-c2ccc(F)cc2Cl)n1 ZINC000738817740 602408975 /nfs/dbraw/zinc/40/89/75/602408975.db2.gz UGXKSXKYZNRXIZ-NSHDSACASA-N -1 0 327.743 3.884 20 0 EHADRM Cc1cccc(C)c1OCc1nc([C@@H](CC(C)C)NC(=O)[O-])no1 ZINC000740165607 602409953 /nfs/dbraw/zinc/40/99/53/602409953.db2.gz FWOSUNTUCUZFRZ-CYBMUJFWSA-N -1 0 333.388 3.620 20 0 EHADRM COc1ccc(/C=C/c2nc([C@@H](CC(C)C)NC(=O)[O-])no2)cc1 ZINC000739895702 602409976 /nfs/dbraw/zinc/40/99/76/602409976.db2.gz YHLUPMQBCDDLJE-VIIAAUOXSA-N -1 0 331.372 3.603 20 0 EHADRM C[C@@H](NC(=O)[O-])C1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000739011717 602410004 /nfs/dbraw/zinc/41/00/04/602410004.db2.gz ZDKWPSUMXPLZGQ-SECBINFHSA-N -1 0 345.226 3.502 20 0 EHADRM O=C([O-])NC1(c2noc(Cc3cc(Cl)ccc3Cl)n2)CCC1 ZINC000740549347 602418066 /nfs/dbraw/zinc/41/80/66/602418066.db2.gz UATYGPPWWLZWBA-UHFFFAOYSA-N -1 0 342.182 3.614 20 0 EHADRM Cc1ccc(C(C)C)cc1OCc1nc(C2(NC(=O)[O-])CCC2)no1 ZINC000740109179 602418563 /nfs/dbraw/zinc/41/85/63/602418563.db2.gz FHDVHTLQVBFEMS-UHFFFAOYSA-N -1 0 345.399 3.727 20 0 EHADRM O=C([O-])NC1(c2noc(-c3cccc(OC4CCCC4)c3)n2)CCC1 ZINC000740549249 602418942 /nfs/dbraw/zinc/41/89/42/602418942.db2.gz QKMLECHBLFLXKA-UHFFFAOYSA-N -1 0 343.383 3.705 20 0 EHADRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)Nc1ccccc1C(F)(F)F ZINC000738803872 602435669 /nfs/dbraw/zinc/43/56/69/602435669.db2.gz FLKNMSDXPAFTFY-JTQLQIEISA-N -1 0 347.337 3.509 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)N[C@@H]1CCCc2occc21)c1ccccc1 ZINC000740539495 602457695 /nfs/dbraw/zinc/45/76/95/602457695.db2.gz PIEBPFQMNIFHTA-HZPDHXFCSA-N -1 0 342.395 3.562 20 0 EHADRM C[C@@H](C1CC1)N(C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1)C1CC1 ZINC000738890585 602457725 /nfs/dbraw/zinc/45/77/25/602457725.db2.gz MYKJCBYWUQMRSN-SUMWQHHRSA-N -1 0 330.428 3.565 20 0 EHADRM C[C@H](C1CC1)N(C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1)C1CC1 ZINC000738890582 602457744 /nfs/dbraw/zinc/45/77/44/602457744.db2.gz MYKJCBYWUQMRSN-CXAGYDPISA-N -1 0 330.428 3.565 20 0 EHADRM COCc1cccc(NC(=O)CC[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000739843377 602458275 /nfs/dbraw/zinc/45/82/75/602458275.db2.gz OWKBQAGLGBWYKI-KRWDZBQOSA-N -1 0 342.395 3.561 20 0 EHADRM CCN(Cc1ccccc1NC(=O)c1sccc1OC)C(=O)[O-] ZINC000739443904 602460033 /nfs/dbraw/zinc/46/00/33/602460033.db2.gz GRQMRMUREHZECD-UHFFFAOYSA-N -1 0 334.397 3.509 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)Nc1nc(C2CC2)cs1)c1ccccc1 ZINC000740538515 602463640 /nfs/dbraw/zinc/46/36/40/602463640.db2.gz FFBPFOSGXGZIIT-ZDUSSCGKSA-N -1 0 345.424 3.748 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N2CCCc3ccccc3C2)cc1 ZINC000738665432 602470290 /nfs/dbraw/zinc/47/02/90/602470290.db2.gz MIERJWQVCPNHLL-UHFFFAOYSA-N -1 0 325.368 3.757 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)NC1(c2ccccc2)CC1)c1ccccc1 ZINC000740540664 602471341 /nfs/dbraw/zinc/47/13/41/602471341.db2.gz WTUREIBHJXRJSY-KRWDZBQOSA-N -1 0 338.407 3.581 20 0 EHADRM O=C([O-])NCCC(=O)N[C@H](c1ccccc1)c1cccc2ccccc21 ZINC000738657930 602481758 /nfs/dbraw/zinc/48/17/58/602481758.db2.gz RYYMRALGCUCZNY-HXUWFJFHSA-N -1 0 348.402 3.703 20 0 EHADRM C[C@@H]1c2ccsc2CCN1C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739204642 602482337 /nfs/dbraw/zinc/48/23/37/602482337.db2.gz CKBBKOLYCDRQST-SECBINFHSA-N -1 0 334.372 3.737 20 0 EHADRM O=C([O-])Nc1cc(C(=O)NCCSCc2ccccc2)ccc1F ZINC000740695402 602483060 /nfs/dbraw/zinc/48/30/60/602483060.db2.gz KBQTXNQJINNMGF-UHFFFAOYSA-N -1 0 348.399 3.579 20 0 EHADRM CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739441084 602483919 /nfs/dbraw/zinc/48/39/19/602483919.db2.gz LGFJWOHBHTZZPE-UHFFFAOYSA-N -1 0 346.358 3.587 20 0 EHADRM C[C@@H]1Cc2ccccc2N(C(=O)c2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000739199479 602488310 /nfs/dbraw/zinc/48/83/10/602488310.db2.gz UULYTGZRVMYJTG-LLVKDONJSA-N -1 0 328.343 3.755 20 0 EHADRM CSc1ccsc1C(=O)N1CCN(C(=O)[O-])Cc2ccccc21 ZINC000740021390 602488745 /nfs/dbraw/zinc/48/87/45/602488745.db2.gz RXMLGPRAMFNAQT-UHFFFAOYSA-N -1 0 348.449 3.610 20 0 EHADRM Cc1[nH]c(-c2ccccc2)nc1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000740028167 602502629 /nfs/dbraw/zinc/50/26/29/602502629.db2.gz HYEHCXAIWWEYCK-UHFFFAOYSA-N -1 0 336.351 3.727 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)Cc2ccccc2C(F)(F)F)cc1 ZINC000738666237 602504931 /nfs/dbraw/zinc/50/49/31/602504931.db2.gz UZTPHQNWXGGDQR-UHFFFAOYSA-N -1 0 338.285 3.977 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)c3cc(F)ccc3F)ccc21 ZINC000740464997 602507192 /nfs/dbraw/zinc/50/71/92/602507192.db2.gz NMAMWDLGRYRFRO-UHFFFAOYSA-N -1 0 332.306 3.648 20 0 EHADRM CN(C(=O)[O-])C1CCN(C(=O)c2sccc2-c2ccccc2)CC1 ZINC000737932932 602520770 /nfs/dbraw/zinc/52/07/70/602520770.db2.gz AAORNRHQZBFVLK-UHFFFAOYSA-N -1 0 344.436 3.630 20 0 EHADRM CCc1ccc(C(=O)COC(=O)c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000739541880 602548607 /nfs/dbraw/zinc/54/86/07/602548607.db2.gz BUINWMOHEFOMRG-UHFFFAOYSA-N -1 0 345.326 3.518 20 0 EHADRM COc1cc(NC(=O)c2ccc3[nH]ccc3c2)ccc1NC(=O)[O-] ZINC000739872221 602570131 /nfs/dbraw/zinc/57/01/31/602570131.db2.gz UJYSFUQRFGLOSF-UHFFFAOYSA-N -1 0 325.324 3.519 20 0 EHADRM Cc1cc(C)cc(NC(=O)N2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)c1 ZINC000740065644 602580831 /nfs/dbraw/zinc/58/08/31/602580831.db2.gz DMSLEOYLRBIJHN-NVXWUHKLSA-N -1 0 345.443 3.690 20 0 EHADRM CN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739714357 602606836 /nfs/dbraw/zinc/60/68/36/602606836.db2.gz RZBMVIIIFDGFPS-UHFFFAOYSA-N -1 0 339.395 3.781 20 0 EHADRM O=C([O-])NC1CCN(C(=O)CC2CCC(c3ccccc3)CC2)CC1 ZINC000740586075 602638606 /nfs/dbraw/zinc/63/86/06/602638606.db2.gz MRLJDCPDELBQPX-UHFFFAOYSA-N -1 0 344.455 3.609 20 0 EHADRM Cc1ccoc1C(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000740196628 602643581 /nfs/dbraw/zinc/64/35/81/602643581.db2.gz LEWXJFQQMDXARP-UHFFFAOYSA-N -1 0 328.246 3.949 20 0 EHADRM CCCc1noc(CNc2ccc(NC(=O)[O-])cc2C(F)(F)F)n1 ZINC000739378298 602646005 /nfs/dbraw/zinc/64/60/05/602646005.db2.gz QDTYJTUBHZRRKI-UHFFFAOYSA-N -1 0 344.293 3.743 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cccc(OC3CCCC3)c2)cn1 ZINC000740711912 602672804 /nfs/dbraw/zinc/67/28/04/602672804.db2.gz QVDHHSUKFLZECB-UHFFFAOYSA-N -1 0 341.367 3.745 20 0 EHADRM Cc1cc(F)cc2c1N(C(=O)c1ccc(NC(=O)[O-])cc1)CCC2 ZINC000738229353 602684908 /nfs/dbraw/zinc/68/49/08/602684908.db2.gz FKGFHBYSQAAPMV-UHFFFAOYSA-N -1 0 328.343 3.817 20 0 EHADRM CC(C)N(CCC(=O)Nc1cccc(Oc2ccncc2)c1)C(=O)[O-] ZINC000738843988 602689560 /nfs/dbraw/zinc/68/95/60/602689560.db2.gz OCWWYBZOYKKXMS-UHFFFAOYSA-N -1 0 343.383 3.591 20 0 EHADRM CC[C@H](C)c1ccccc1OC(=O)c1csc(CNC(=O)[O-])n1 ZINC000739250540 602694554 /nfs/dbraw/zinc/69/45/54/602694554.db2.gz UKFWMMXVSNRBRJ-JTQLQIEISA-N -1 0 334.397 3.643 20 0 EHADRM CC(C)N(C)c1cccc(NC(=O)c2ccc(NC(=O)[O-])cc2)c1 ZINC000736457838 602713572 /nfs/dbraw/zinc/71/35/72/602713572.db2.gz UXEHFBFGRKNOMV-UHFFFAOYSA-N -1 0 327.384 3.873 20 0 EHADRM CN(Cc1cccnc1)C(=O)c1cc2ccccc2cc1NC(=O)[O-] ZINC000739713947 602723239 /nfs/dbraw/zinc/72/32/39/602723239.db2.gz HGELBPKHPGWTCR-UHFFFAOYSA-N -1 0 335.363 3.597 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)NCC2(Sc3ccccc3)CC2)c1 ZINC000740029595 602723262 /nfs/dbraw/zinc/72/32/62/602723262.db2.gz SLTVNRNDZCZSFD-UHFFFAOYSA-N -1 0 342.420 3.831 20 0 EHADRM COc1cc(NC(=O)NC/C=C/c2ccccc2)ccc1NC(=O)[O-] ZINC000739872131 602739712 /nfs/dbraw/zinc/73/97/12/602739712.db2.gz SXKKFYZIVATUJT-VMPITWQZSA-N -1 0 341.367 3.620 20 0 EHADRM O=C([O-])NC[C@H]1CCC[C@@H]1NC(=O)c1sccc1-c1ccccc1 ZINC000740622220 602767990 /nfs/dbraw/zinc/76/79/90/602767990.db2.gz BPZPGUGGJPDSQU-HIFRSBDPSA-N -1 0 344.436 3.581 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)Nc1cccc(CN(CC)C(=O)[O-])c1 ZINC000739276226 602775979 /nfs/dbraw/zinc/77/59/79/602775979.db2.gz DMXUQUGAVAQKLA-KRWDZBQOSA-N -1 0 348.443 3.863 20 0 EHADRM CC(C)(CCC(=O)Nc1nc2ccc(Cl)cc2s1)NC(=O)[O-] ZINC000738746511 602783938 /nfs/dbraw/zinc/78/39/38/602783938.db2.gz XHJYHYXJMLGYLM-UHFFFAOYSA-N -1 0 341.820 3.715 20 0 EHADRM Cc1ccc(Br)cc1NC(=O)CCC(C)(C)NC(=O)[O-] ZINC000740105662 602792864 /nfs/dbraw/zinc/79/28/64/602792864.db2.gz KWWGVVJHYGBZNF-UHFFFAOYSA-N -1 0 343.221 3.522 20 0 EHADRM CC(C)(CCC(=O)Nc1ccccc1OC1CCCC1)NC(=O)[O-] ZINC000738742659 602793852 /nfs/dbraw/zinc/79/38/52/602793852.db2.gz APLQECMLHKBZGJ-UHFFFAOYSA-N -1 0 334.416 3.773 20 0 EHADRM CC(C)c1ccc([C@H](C)NC(=O)N2CC[C@@H](NC(=O)[O-])[C@H](C)C2)cc1 ZINC000738879140 602811897 /nfs/dbraw/zinc/81/18/97/602811897.db2.gz TWELUHOFLATDRS-JKIFEVAISA-N -1 0 347.459 3.559 20 0 EHADRM Cc1ccc(-c2ccncc2)cc1NC(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000830148550 602813705 /nfs/dbraw/zinc/81/37/05/602813705.db2.gz AUIMXGPPUZDAIR-INIZCTEOSA-N -1 0 339.395 3.528 20 0 EHADRM CCC[C@@H](NC(=O)C[C@@H](C)NC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000826745431 602817430 /nfs/dbraw/zinc/81/74/30/602817430.db2.gz XHJUEZARMHKXHK-ZWNOBZJWSA-N -1 0 346.349 3.709 20 0 EHADRM C[C@@H](CCNC(=O)N(CC1CCC1)[C@@H](C)c1ccccc1)NC(=O)[O-] ZINC000738899253 602830287 /nfs/dbraw/zinc/83/02/87/602830287.db2.gz OMLGXEXTRXQOAD-GJZGRUSLSA-N -1 0 347.459 3.606 20 0 EHADRM O=C([O-])NC1(c2noc(C3(c4ccc(F)cc4)CCCC3)n2)CCC1 ZINC000740547835 602841381 /nfs/dbraw/zinc/84/13/81/602841381.db2.gz FBQPDPOLJFBNIX-UHFFFAOYSA-N -1 0 345.374 3.716 20 0 EHADRM O=C([O-])N1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1coc2ccccc12 ZINC000740519021 602846510 /nfs/dbraw/zinc/84/65/10/602846510.db2.gz RWCGPNVEWOOWEO-HZPDHXFCSA-N -1 0 342.395 3.570 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)C[C@H]2CCCN2C(=O)[O-])cc1 ZINC000827508618 602851335 /nfs/dbraw/zinc/85/13/35/602851335.db2.gz PFJSCQVSRZBTFQ-GXTWGEPZSA-N -1 0 336.457 3.508 20 0 EHADRM C[C@@H](NC(=O)C[C@@H]1CCCN1C(=O)[O-])c1csc2ccccc21 ZINC000825109311 602870223 /nfs/dbraw/zinc/87/02/23/602870223.db2.gz UMOYVJLXSWJNRT-NEPJUHHUSA-N -1 0 332.425 3.611 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)N1CCC[C@@H]1c1ccco1)c1ccccc1 ZINC000740540406 602880386 /nfs/dbraw/zinc/88/03/86/602880386.db2.gz UIYBYJSNGZIVOT-HZPDHXFCSA-N -1 0 342.395 3.732 20 0 EHADRM Cc1cccc(C)c1NCC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000740165294 602883436 /nfs/dbraw/zinc/88/34/36/602883436.db2.gz BUWXVYVQRCRGJO-UHFFFAOYSA-N -1 0 331.347 3.583 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)N2CCC3(CCCC3)CC2)c1 ZINC000740676895 602901461 /nfs/dbraw/zinc/90/14/61/602901461.db2.gz WHQUNIRUTQZBHK-UHFFFAOYSA-N -1 0 331.416 3.642 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)OCc2nc3ccccc3o2)c(Cl)c1 ZINC000740702224 602906242 /nfs/dbraw/zinc/90/62/42/602906242.db2.gz VUGJIADCJFTYOK-UHFFFAOYSA-N -1 0 346.726 3.928 20 0 EHADRM CC(C)n1ccc(COC(=O)c2ccc(NC(=O)[O-])cc2Cl)n1 ZINC000738888646 602906725 /nfs/dbraw/zinc/90/67/25/602906725.db2.gz DZBQLEMNDRGKQK-UHFFFAOYSA-N -1 0 337.763 3.564 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2Cl)CC[C@@H]1NC(=O)[O-] ZINC000739145783 602908212 /nfs/dbraw/zinc/90/82/12/602908212.db2.gz KESYEIKTNUHRLC-KCJUWKMLSA-N -1 0 346.214 3.503 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC[C@@H]1NC(=O)[O-] ZINC000739150172 602908697 /nfs/dbraw/zinc/90/86/97/602908697.db2.gz VMPPKKXBHUPMSR-UFBFGSQYSA-N -1 0 346.214 3.503 20 0 EHADRM Cc1ccc(C(=O)N2C[C@@H](C)Oc3ccccc32)cc1NC(=O)[O-] ZINC000830186006 602914920 /nfs/dbraw/zinc/91/49/20/602914920.db2.gz DWXLNRGLJGKWHK-GFCCVEGCSA-N -1 0 326.352 3.513 20 0 EHADRM CC(C)CCc1ccccc1NC(=O)N1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000738819874 602917562 /nfs/dbraw/zinc/91/75/62/602917562.db2.gz JYIVTBASTRJKRB-HOCLYGCPSA-N -1 0 347.459 3.785 20 0 EHADRM CC(C)(CCC(=O)O[C@H](c1ccccc1)c1cccnc1)NC(=O)[O-] ZINC000738744203 602927541 /nfs/dbraw/zinc/92/75/41/602927541.db2.gz GLZDZEWYFLUESL-QGZVFWFLSA-N -1 0 342.395 3.541 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(-c2coc(-c3ccccc3)n2)n1 ZINC000738816841 602930183 /nfs/dbraw/zinc/93/01/83/602930183.db2.gz MYMGWUVBXQRWBB-LBPRGKRZSA-N -1 0 342.355 3.746 20 0 EHADRM C[C@H](CNC(=O)[O-])N(C)C(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000738932132 602943940 /nfs/dbraw/zinc/94/39/40/602943940.db2.gz SRJQJDAYMRLGKT-CYBMUJFWSA-N -1 0 349.431 3.518 20 0 EHADRM C[C@H](CC(=O)Nc1ccccc1O[C@@H](C)c1ccccc1)NC(=O)[O-] ZINC000824703460 602944983 /nfs/dbraw/zinc/94/49/83/602944983.db2.gz LLVYJIJRZRQURV-KGLIPLIRSA-N -1 0 342.395 3.811 20 0 EHADRM C[C@H](CC(=O)N(Cc1cc(F)ccc1F)c1ccccc1)NC(=O)[O-] ZINC000824557107 602953389 /nfs/dbraw/zinc/95/33/89/602953389.db2.gz CFYVTENIOMPQAG-GFCCVEGCSA-N -1 0 348.349 3.544 20 0 EHADRM COc1ccc(NC(=O)[C@@H](SC)c2ccccc2)cc1NC(=O)[O-] ZINC000739916611 602954676 /nfs/dbraw/zinc/95/46/76/602954676.db2.gz OKINIZAJPHRUCM-HNNXBMFYSA-N -1 0 346.408 3.828 20 0 EHADRM C[C@H](CC(=O)c1cccc(F)c1)C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000736562179 602963302 /nfs/dbraw/zinc/96/33/02/602963302.db2.gz LNFWITUBHKPXHB-LLVKDONJSA-N -1 0 345.326 3.730 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)c2ccccc2Br)cc1 ZINC000738668789 602964123 /nfs/dbraw/zinc/96/41/23/602964123.db2.gz MSIKDAZNMLJYDO-UHFFFAOYSA-N -1 0 336.141 3.758 20 0 EHADRM COCc1cccc(OC(=O)c2ccc(NC(=O)[O-])cc2Cl)c1 ZINC000739847590 602964652 /nfs/dbraw/zinc/96/46/52/602964652.db2.gz VXCSZCAJOMZTME-UHFFFAOYSA-N -1 0 335.743 3.796 20 0 EHADRM Cc1cc(NC(=O)CC(C)(C)NC(=O)[O-])ccc1Oc1cccnc1 ZINC000740083940 602969740 /nfs/dbraw/zinc/96/97/40/602969740.db2.gz OIQITFLOUHRETP-UHFFFAOYSA-N -1 0 343.383 3.557 20 0 EHADRM CC[C@H](c1ccncc1)N(C)C(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000826639165 602971292 /nfs/dbraw/zinc/97/12/92/602971292.db2.gz KRNZJMBYPSRALW-MRXNPFEDSA-N -1 0 327.384 3.703 20 0 EHADRM O=C([O-])N1CC[C@H](c2nc(C(c3ccccc3)c3ccccc3)no2)C1 ZINC000740509285 602972901 /nfs/dbraw/zinc/97/29/01/602972901.db2.gz OIPCEVLYSNPLPZ-INIZCTEOSA-N -1 0 349.390 3.717 20 0 EHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(CNC(=O)[O-])o2)o1 ZINC000830283519 602975718 /nfs/dbraw/zinc/97/57/18/602975718.db2.gz WYFVZNDPBHHKSS-AWEZNQCLSA-N -1 0 346.383 3.706 20 0 EHADRM Cc1cccc2c(CC(=O)Nc3cc(NC(=O)[O-])ccc3F)c[nH]c21 ZINC000740178799 602991738 /nfs/dbraw/zinc/99/17/38/602991738.db2.gz HNOGBCUATYMVQC-UHFFFAOYSA-N -1 0 341.342 3.887 20 0 EHADRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)c1ccccc1SC(C)C ZINC000738809441 602997088 /nfs/dbraw/zinc/99/70/88/602997088.db2.gz NMWNNCIEMUYOFD-CYBMUJFWSA-N -1 0 338.473 3.599 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CCc3c(Cl)cccc3C2)ccc1F ZINC000740696068 603007735 /nfs/dbraw/zinc/00/77/35/603007735.db2.gz MYZATLGOLMBLQW-UHFFFAOYSA-N -1 0 348.761 3.768 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@@H]1C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000740574148 603009598 /nfs/dbraw/zinc/00/95/98/603009598.db2.gz ULVONIGOYGSQAG-IRXDYDNUSA-N -1 0 346.427 3.521 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NCc2nc(Cc3ccccc3)no2)c1 ZINC000740703727 603020288 /nfs/dbraw/zinc/02/02/88/603020288.db2.gz QNKMLDZVSWHDTJ-UHFFFAOYSA-N -1 0 342.330 3.502 20 0 EHADRM COc1ccc2oc(C)c(-c3nc([C@@H](C)CN(C)C(=O)[O-])no3)c2c1 ZINC000739939964 603020690 /nfs/dbraw/zinc/02/06/90/603020690.db2.gz DJRKIGOZUCYUIT-VIFPVBQESA-N -1 0 345.355 3.513 20 0 EHADRM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)C2CCC(NC(=O)[O-])CC2)C1 ZINC000739082107 603038818 /nfs/dbraw/zinc/03/88/18/603038818.db2.gz LNCAFQPZSBQJPF-ZJOIDMRUSA-N -1 0 348.418 3.562 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)c2cc3c(cccc3F)[nH]2)cc1 ZINC000827914315 603043008 /nfs/dbraw/zinc/04/30/08/603043008.db2.gz NKOWOEAWUQZXMX-UHFFFAOYSA-N -1 0 328.299 3.640 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)c2csc(-c3ccoc3)n2)cc1 ZINC000827921558 603043499 /nfs/dbraw/zinc/04/34/99/603043499.db2.gz OLAFEDXDWMGGKJ-UHFFFAOYSA-N -1 0 344.348 3.737 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)/C=C\c2ccnc3ccccc23)cc1 ZINC000827908988 603048155 /nfs/dbraw/zinc/04/81/55/603048155.db2.gz VNKXBOZLCKEOMI-WDZFZDKYSA-N -1 0 348.358 3.968 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)/C=C/c2ccnc3ccccc23)cc1 ZINC000827908986 603048192 /nfs/dbraw/zinc/04/81/92/603048192.db2.gz VNKXBOZLCKEOMI-IZZDOVSWSA-N -1 0 348.358 3.968 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)[C@@H]2SCCc3sccc32)cc1 ZINC000827909458 603052118 /nfs/dbraw/zinc/05/21/18/603052118.db2.gz ZQBARNMUEHTIAI-CQSZACIVSA-N -1 0 349.433 3.798 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)[C@H]2SCCc3sccc32)cc1 ZINC000827909456 603052297 /nfs/dbraw/zinc/05/22/97/603052297.db2.gz ZQBARNMUEHTIAI-AWEZNQCLSA-N -1 0 349.433 3.798 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)Cc2ccccc2OC(F)F)cc1 ZINC000738663850 603054415 /nfs/dbraw/zinc/05/44/15/603054415.db2.gz CWOBBDXYFSWVKV-UHFFFAOYSA-N -1 0 336.294 3.559 20 0 EHADRM CC[C@H](NC(=O)[O-])C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000827531401 603055212 /nfs/dbraw/zinc/05/52/12/603055212.db2.gz JFUIIEOZTDSWKK-ZDUSSCGKSA-N -1 0 349.774 3.512 20 0 EHADRM CCN(Cc1nc(-c2ccc(NC(=O)C(C)C)cc2)cs1)C(=O)[O-] ZINC000739443969 603070625 /nfs/dbraw/zinc/07/06/25/603070625.db2.gz JBEXDGZHLKWPQV-UHFFFAOYSA-N -1 0 347.440 3.905 20 0 EHADRM C[C@@H](NC(=O)[C@H](CNC(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC000738954684 603079133 /nfs/dbraw/zinc/07/91/33/603079133.db2.gz ZTSZZYADDPQAOS-MLGOLLRUSA-N -1 0 346.814 3.569 20 0 EHADRM C[C@H](NC(=O)[C@@H](CNC(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC000738954682 603079658 /nfs/dbraw/zinc/07/96/58/603079658.db2.gz ZTSZZYADDPQAOS-LRDDRELGSA-N -1 0 346.814 3.569 20 0 EHADRM CCc1ccccc1NC(=O)CNc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000739548692 603105173 /nfs/dbraw/zinc/10/51/73/603105173.db2.gz FVRUNGLCYJQUEP-ZDUSSCGKSA-N -1 0 341.411 3.628 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)Nc2ccc(SC(F)F)cc2)C1 ZINC000740567422 603149442 /nfs/dbraw/zinc/14/94/42/603149442.db2.gz CUBAICZLNPWIAC-MWLCHTKSSA-N -1 0 344.383 3.766 20 0 EHADRM C[C@H](c1cc2ccccc2o1)N(C)C(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739053208 603163450 /nfs/dbraw/zinc/16/34/50/603163450.db2.gz KYRQLCWKTCGFNN-SNPRPXQTSA-N -1 0 344.411 3.779 20 0 EHADRM CN(Cc1cccc2ccccc21)C(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739714846 603164562 /nfs/dbraw/zinc/16/45/62/603164562.db2.gz YMKYXYZVMFTKAI-NVXWUHKLSA-N -1 0 340.423 3.625 20 0 EHADRM CN(Cc1cccc(NC(=O)c2cc3occc3s2)c1)C(=O)[O-] ZINC000739711860 603167583 /nfs/dbraw/zinc/16/75/83/603167583.db2.gz GRULQKZJBXAOAU-UHFFFAOYSA-N -1 0 330.365 3.856 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000740714541 603172621 /nfs/dbraw/zinc/17/26/21/603172621.db2.gz RQVDPPTZOGBCRJ-MNOVXSKESA-N -1 0 332.306 3.797 20 0 EHADRM Cc1ccc(C)c(NC(=S)N[C@](C)(CNC(=O)[O-])CC(C)C)c1 ZINC000740116805 603174278 /nfs/dbraw/zinc/17/42/78/603174278.db2.gz YIFDCZNTBJPIBU-KRWDZBQOSA-N -1 0 337.489 3.662 20 0 EHADRM Cc1ccc(O[C@H](C)C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1 ZINC000830401539 603176076 /nfs/dbraw/zinc/17/60/76/603176076.db2.gz YJJLGKWCUYYHEK-ZIAGYGMSSA-N -1 0 342.395 3.730 20 0 EHADRM C[C@@H](C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1)c1ccccc1F ZINC000825415760 603180652 /nfs/dbraw/zinc/18/06/52/603180652.db2.gz ICFUDIPPYYTDAM-NEPJUHHUSA-N -1 0 330.359 3.897 20 0 EHADRM COc1ccc(/C=C\C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1 ZINC000829331366 603181718 /nfs/dbraw/zinc/18/17/18/603181718.db2.gz IHBLWWVOPBZLCV-QWGHSUKYSA-N -1 0 340.379 3.676 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)C1 ZINC000740564015 603196724 /nfs/dbraw/zinc/19/67/24/603196724.db2.gz MBAXYQRTMCFSEE-OIISXLGYSA-N -1 0 348.418 3.610 20 0 EHADRM CC(=O)c1ccc(OC(=O)c2ccc(NC(=O)[O-])cc2Cl)cc1 ZINC000738602797 603199070 /nfs/dbraw/zinc/19/90/70/603199070.db2.gz QFDNNLIJYRPUCF-UHFFFAOYSA-N -1 0 333.727 3.852 20 0 EHADRM CN(Cc1cccc(F)c1)C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739707397 603204256 /nfs/dbraw/zinc/20/42/56/603204256.db2.gz PTLBFUOKTCNNJO-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM Cc1ccc(F)cc1NC(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000830332788 603218722 /nfs/dbraw/zinc/21/87/22/603218722.db2.gz CUQZSKZAPHNZDW-LRDDRELGSA-N -1 0 330.359 3.718 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739088393 603224940 /nfs/dbraw/zinc/22/49/40/603224940.db2.gz ZXTXDJSLZFMMOV-KSIDHJATSA-N -1 0 344.455 3.606 20 0 EHADRM CCSCC[C@H](C)NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000827503835 603226445 /nfs/dbraw/zinc/22/64/45/603226445.db2.gz NDFAJCVUQOQSDR-VIFPVBQESA-N -1 0 330.837 3.691 20 0 EHADRM O=C([O-])N1CCC[C@H]1CNc1cccc(COCc2ccco2)c1 ZINC000740524197 603244782 /nfs/dbraw/zinc/24/47/82/603244782.db2.gz QPNQJMMEQMTNSB-INIZCTEOSA-N -1 0 330.384 3.551 20 0 EHADRM O=C([O-])NC[C@H]1CCC[C@H]1NC(=O)Nc1ccc(Cl)cc1Cl ZINC000832474973 603248461 /nfs/dbraw/zinc/24/84/61/603248461.db2.gz KKTRERNCOXFVDV-LDYMZIIASA-N -1 0 346.214 3.551 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(-c3c[nH]cn3)cc2)cc1NC(=O)[O-] ZINC000830230977 603249606 /nfs/dbraw/zinc/24/96/06/603249606.db2.gz VIVKSODECNKGIH-UHFFFAOYSA-N -1 0 336.351 3.727 20 0 EHADRM CN(C[C@H]1CCCN1C(=O)Nc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000828211071 603249894 /nfs/dbraw/zinc/24/98/94/603249894.db2.gz DRHBERXBZJRBKI-SECBINFHSA-N -1 0 346.214 3.600 20 0 EHADRM C[C@@H](CNC(=O)c1ccc(NC(=O)[O-])cc1Cl)Oc1ccccc1 ZINC000738939844 603250023 /nfs/dbraw/zinc/25/00/23/603250023.db2.gz OFKCBVBBZHQIGQ-NSHDSACASA-N -1 0 348.786 3.627 20 0 EHADRM CSc1ccccc1NC(=O)NC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000829772480 603251816 /nfs/dbraw/zinc/25/18/16/603251816.db2.gz XRZFUECTIJOAOJ-CQSZACIVSA-N -1 0 345.424 3.539 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)Nc2cc(F)cc(F)c2)cc1 ZINC000825442682 603262960 /nfs/dbraw/zinc/26/29/60/603262960.db2.gz MTVXSDKHSOFBFM-VIFPVBQESA-N -1 0 335.310 3.937 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(CNC(=O)[O-])o1)c1ccc(Cl)cc1 ZINC000826613615 603268034 /nfs/dbraw/zinc/26/80/34/603268034.db2.gz NAGLXZVXYQULQQ-CYBMUJFWSA-N -1 0 336.775 3.582 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N1CCCCCCC1 ZINC000829175079 603268141 /nfs/dbraw/zinc/26/81/41/603268141.db2.gz XTCWFWDKLICAKQ-UHFFFAOYSA-N -1 0 340.807 3.845 20 0 EHADRM CC[C@@]1(C)CCCN(C(=O)Nc2ccc(OC)c(NC(=O)[O-])c2)C1 ZINC000826646153 603270365 /nfs/dbraw/zinc/27/03/65/603270365.db2.gz ZJMUIKSMGCJKOH-KRWDZBQOSA-N -1 0 335.404 3.829 20 0 EHADRM Cc1cc([C@H]2CCCN2C(=O)c2ccc(NC(=O)[O-])cc2Cl)no1 ZINC000740078614 603273053 /nfs/dbraw/zinc/27/30/53/603273053.db2.gz DVZORDUPFQDXBZ-CQSZACIVSA-N -1 0 349.774 3.704 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(CNC(=O)[O-])o2)c2ccccc2S1 ZINC000825945191 603277608 /nfs/dbraw/zinc/27/76/08/603277608.db2.gz URXJUVYELIUXGB-LLVKDONJSA-N -1 0 346.408 3.578 20 0 EHADRM Cc1cc(NC(=O)CC2CCN(C(=O)[O-])CC2)ccc1OC(C)C ZINC000740085229 603285628 /nfs/dbraw/zinc/28/56/28/603285628.db2.gz ZDMSDVSAGSZBTP-UHFFFAOYSA-N -1 0 334.416 3.501 20 0 EHADRM CC(C)C[C@H](C(=O)N1CCC[C@H](CN(C)C(=O)[O-])C1)c1ccccc1 ZINC000738805335 603287581 /nfs/dbraw/zinc/28/75/81/603287581.db2.gz MGSRUNUZHBXISJ-AEFFLSMTSA-N -1 0 346.471 3.665 20 0 EHADRM C[C@@H](c1ccco1)N(C)C(=O)Nc1cccc2c1CCN(C(=O)[O-])C2 ZINC000739060468 603289675 /nfs/dbraw/zinc/28/96/75/603289675.db2.gz NZEDYWTZPQPCOD-LBPRGKRZSA-N -1 0 343.383 3.541 20 0 EHADRM CCCCN(C(=O)Nc1cccc2c1CCN(C(=O)[O-])C2)C1CC1 ZINC000739326848 603289734 /nfs/dbraw/zinc/28/97/34/603289734.db2.gz MQSVQLPUCZRBDR-UHFFFAOYSA-N -1 0 331.416 3.519 20 0 EHADRM CC(C)(C)SCCNC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000738723745 603298670 /nfs/dbraw/zinc/29/86/70/603298670.db2.gz BNRHJROHUYCCIA-UHFFFAOYSA-N -1 0 330.837 3.691 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2n[nH]c3ccc(F)cc32)c(Cl)c1 ZINC000740701389 603301672 /nfs/dbraw/zinc/30/16/72/603301672.db2.gz WPVHDVMIGOVEMM-UHFFFAOYSA-N -1 0 348.721 3.698 20 0 EHADRM CN(CCCNC(=O)[O-])C(=O)Nc1ccccc1Oc1ccccc1 ZINC000739678209 603314742 /nfs/dbraw/zinc/31/47/42/603314742.db2.gz ZNWWSXAROCFTIA-UHFFFAOYSA-N -1 0 343.383 3.600 20 0 EHADRM CC(C)(NC(=O)Nc1cccc(CNC(=O)[O-])c1)c1cccc(F)c1 ZINC000738754218 603324144 /nfs/dbraw/zinc/32/41/44/603324144.db2.gz ITEBSYQCUAAZGB-UHFFFAOYSA-N -1 0 345.374 3.650 20 0 EHADRM CCSCC[C@H](C)N(C)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000827503698 603325734 /nfs/dbraw/zinc/32/57/34/603325734.db2.gz KYYFHTDSGJNNFX-JTQLQIEISA-N -1 0 343.424 3.911 20 0 EHADRM C[C@@H]1CCC[C@H](C)N(C(=O)Nc2ccccc2CN(C)C(=O)[O-])C1 ZINC000825889302 603328087 /nfs/dbraw/zinc/32/80/87/603328087.db2.gz WIVHQVRYPUXQRL-KGLIPLIRSA-N -1 0 333.432 3.839 20 0 EHADRM CCN(Cc1cccc(NC(=O)N(CC(C)C)C2CC2)c1)C(=O)[O-] ZINC000739443820 603344919 /nfs/dbraw/zinc/34/49/19/603344919.db2.gz SRIVOLVZJRFHOM-UHFFFAOYSA-N -1 0 333.432 3.839 20 0 EHADRM COc1cc(NC(=O)c2cccc(F)c2Cl)ccc1NC(=O)[O-] ZINC000829198073 603351208 /nfs/dbraw/zinc/35/12/08/603351208.db2.gz MTBMBLLJGJPJHO-UHFFFAOYSA-N -1 0 338.722 3.830 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1)NC(=O)[O-] ZINC000824614685 603351627 /nfs/dbraw/zinc/35/16/27/603351627.db2.gz MXIKAJRAWCOUBY-SJCJKPOMSA-N -1 0 346.814 3.592 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000739449520 603353580 /nfs/dbraw/zinc/35/35/80/603353580.db2.gz XGOUBXWFQCZYHY-DZGCQCFKSA-N -1 0 333.432 3.887 20 0 EHADRM CC(C)c1cc(NC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)no1 ZINC000824464875 603355857 /nfs/dbraw/zinc/35/58/57/603355857.db2.gz WTROZJINVAVXDE-SNVBAGLBSA-N -1 0 332.360 3.771 20 0 EHADRM CN(Cc1cccc(NC(=O)NCc2ccccc2Cl)c1)C(=O)[O-] ZINC000739712129 603358933 /nfs/dbraw/zinc/35/89/33/603358933.db2.gz FOMPRROHHDMSRS-UHFFFAOYSA-N -1 0 347.802 3.772 20 0 EHADRM Cc1ccccc1[C@@H](C)NC(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000740182186 603359594 /nfs/dbraw/zinc/35/95/94/603359594.db2.gz GZSVVVMIUDOVAB-CQSZACIVSA-N -1 0 341.411 3.988 20 0 EHADRM CN(Cc1cccc(NC(=O)N(C)Cc2cccc(F)c2)c1)C(=O)[O-] ZINC000739707484 603361708 /nfs/dbraw/zinc/36/17/08/603361708.db2.gz SUFVICAPQLCDAG-UHFFFAOYSA-N -1 0 345.374 3.599 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N(C)[C@H](C)c2ccco2)cc1 ZINC000825421872 603363109 /nfs/dbraw/zinc/36/31/09/603363109.db2.gz COBRVNZXANKWJS-VXGBXAGGSA-N -1 0 331.372 3.833 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)N2CCC[C@H]2c2ccccc2Cl)o1 ZINC000832677663 603372458 /nfs/dbraw/zinc/37/24/58/603372458.db2.gz FHIYIMJHOFSHNV-AWEZNQCLSA-N -1 0 348.786 3.678 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(Oc2cccc(F)c2)cc1)NC(=O)[O-] ZINC000824693233 603377796 /nfs/dbraw/zinc/37/77/96/603377796.db2.gz AKFUWJQEEDNANP-NSHDSACASA-N -1 0 332.331 3.603 20 0 EHADRM C[C@@H](C(=O)Nc1nc(C2CC2)cs1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823723667 603389950 /nfs/dbraw/zinc/38/99/50/603389950.db2.gz MHTLRQXVDIFELA-YGRLFVJLSA-N -1 0 345.424 3.604 20 0 EHADRM O=C([O-])N[C@H]1CC[C@H](c2nc(-c3c(Cl)cccc3Cl)no2)C1 ZINC000832317787 603410011 /nfs/dbraw/zinc/41/00/11/603410011.db2.gz CSMKSHKOMDLKTH-YUMQZZPRSA-N -1 0 342.182 3.947 20 0 EHADRM O=C([O-])NC1(c2noc([C@H]3CCSc4ccccc43)n2)CCCC1 ZINC000832228402 603416305 /nfs/dbraw/zinc/41/63/05/603416305.db2.gz OGIGCEJPPLXTRI-LBPRGKRZSA-N -1 0 345.424 3.734 20 0 EHADRM O=C([O-])NC1(c2noc([C@@H]3CCSc4ccccc43)n2)CCCC1 ZINC000832228401 603416323 /nfs/dbraw/zinc/41/63/23/603416323.db2.gz OGIGCEJPPLXTRI-GFCCVEGCSA-N -1 0 345.424 3.734 20 0 EHADRM C[C@@H](CC(=O)Nc1cccc(CO[C@@H]2CCC[C@@H](C)C2)c1)NC(=O)[O-] ZINC000825889017 603427860 /nfs/dbraw/zinc/42/78/60/603427860.db2.gz SJYBENUGWPTMBF-JKIFEVAISA-N -1 0 348.443 3.767 20 0 EHADRM CCN(CC(=O)Nc1ccc(N[C@H](C)c2ccccc2)cc1)C(=O)[O-] ZINC000739396478 603429734 /nfs/dbraw/zinc/42/97/34/603429734.db2.gz YWUXDKMLDJEJGM-CQSZACIVSA-N -1 0 341.411 3.798 20 0 EHADRM CCC[C@@H](C)C(=O)N(c1ccccc1F)C1CCN(C(=O)[O-])CC1 ZINC000739299531 603433174 /nfs/dbraw/zinc/43/31/74/603433174.db2.gz HXOKDGVPWAOTLT-CYBMUJFWSA-N -1 0 336.407 3.737 20 0 EHADRM CN(C(=O)c1ccc(Cl)cc1Cl)C1CCC(NC(=O)[O-])CC1 ZINC000827938925 603469340 /nfs/dbraw/zinc/46/93/40/603469340.db2.gz TVFZJJHBTNYENG-UHFFFAOYSA-N -1 0 345.226 3.644 20 0 EHADRM CC(C)(Oc1ccc(F)cc1)C(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000824039328 603477304 /nfs/dbraw/zinc/47/73/04/603477304.db2.gz USVPUOABXNJUJJ-UHFFFAOYSA-N -1 0 333.315 3.679 20 0 EHADRM COc1ccc(SCCC(=O)Oc2cccc(NC(=O)[O-])c2)cc1 ZINC000829511021 603478156 /nfs/dbraw/zinc/47/81/56/603478156.db2.gz RNEHLWKUCWTTIX-UHFFFAOYSA-N -1 0 347.392 3.873 20 0 EHADRM C[C@@H](Oc1ccccc1Cl)C(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000825617531 603481230 /nfs/dbraw/zinc/48/12/30/603481230.db2.gz QPJMKYDDNFCJGC-SNVBAGLBSA-N -1 0 335.743 3.803 20 0 EHADRM C[C@H](Oc1ccccc1Cl)C(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000825617530 603481289 /nfs/dbraw/zinc/48/12/89/603481289.db2.gz QPJMKYDDNFCJGC-JTQLQIEISA-N -1 0 335.743 3.803 20 0 EHADRM C[C@@H](c1cccs1)N(C)C(=O)C[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000825644757 603489769 /nfs/dbraw/zinc/48/97/69/603489769.db2.gz HUSUCALJDVNHIT-ZFWWWQNUSA-N -1 0 346.452 3.537 20 0 EHADRM COc1ccc(OC(=O)CCC(C)(C)NC(=O)[O-])c2ccccc12 ZINC000829483614 603520746 /nfs/dbraw/zinc/52/07/46/603520746.db2.gz JVIPDDWHTKZXPN-UHFFFAOYSA-N -1 0 331.368 3.580 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2c(F)cc(F)cc2F)ccc1F ZINC000832820505 603547654 /nfs/dbraw/zinc/54/76/54/603547654.db2.gz DKHSELCKYWQBDF-UHFFFAOYSA-N -1 0 328.221 3.585 20 0 EHADRM CCc1cccc(C)c1NC(=O)COc1cc(C)ccc1NC(=O)[O-] ZINC000827594321 603637437 /nfs/dbraw/zinc/63/74/37/603637437.db2.gz HPMSDKGSKQQSEK-UHFFFAOYSA-N -1 0 342.395 3.973 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)NCC(C)(C)NC(=O)[O-] ZINC000824039194 603658258 /nfs/dbraw/zinc/65/82/58/603658258.db2.gz RXVOJVUWIFGSTJ-UHFFFAOYSA-N -1 0 336.457 3.521 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)C(C)(C)CNC(=O)[O-] ZINC000829867636 603699371 /nfs/dbraw/zinc/69/93/71/603699371.db2.gz PZHOBIWEALMOCM-UHFFFAOYSA-N -1 0 336.432 3.542 20 0 EHADRM CCC[C@H](NC(=O)[O-])C(=O)Nc1ccccc1CCC(F)(F)F ZINC000826759462 603726693 /nfs/dbraw/zinc/72/66/93/603726693.db2.gz ZQYHPCNWIQLKBG-LBPRGKRZSA-N -1 0 332.322 3.556 20 0 EHADRM O=C([O-])N1CCC[C@H](C(=O)Nc2ccccc2CCC(F)(F)F)C1 ZINC000831797830 603728612 /nfs/dbraw/zinc/72/86/12/603728612.db2.gz WKMFPFOBFJOQMV-LBPRGKRZSA-N -1 0 344.333 3.510 20 0 EHADRM CCC[C@@](C)(NC(=O)[O-])C(=O)OCc1ncc(-c2ccccc2C)o1 ZINC000826730500 603804714 /nfs/dbraw/zinc/80/47/14/603804714.db2.gz YXZBOQKYNUYDHF-GOSISDBHSA-N -1 0 346.383 3.520 20 0 EHADRM CSc1cccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1 ZINC000829772467 603812634 /nfs/dbraw/zinc/81/26/34/603812634.db2.gz XINQYZGSADCRBJ-QXMXGUDHSA-N -1 0 334.441 3.658 20 0 EHADRM Cc1cc(F)c(C(=O)Nc2ccccc2CN(C)C(=O)[O-])cc1F ZINC000830054601 603829875 /nfs/dbraw/zinc/82/98/75/603829875.db2.gz DTVGRUXJURZKQJ-UHFFFAOYSA-N -1 0 334.322 3.635 20 0 EHADRM O=C([O-])N1CCc2cccc(CNCc3cc(-c4ccccc4)on3)c21 ZINC000832086268 603858256 /nfs/dbraw/zinc/85/82/56/603858256.db2.gz DBPNMNQCXYIXTE-UHFFFAOYSA-N -1 0 349.390 3.672 20 0 EHADRM CC[C@H](NCc1cccc2c1N(C(=O)[O-])CC2)c1nc(C)cs1 ZINC000826619397 603859120 /nfs/dbraw/zinc/85/91/20/603859120.db2.gz JUOIGZZJFDFNCC-AWEZNQCLSA-N -1 0 331.441 3.733 20 0 EHADRM COc1cccc([C@H](C)CC(=O)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000829542989 603880363 /nfs/dbraw/zinc/88/03/63/603880363.db2.gz CCLHPYLZRWRIKR-GFCCVEGCSA-N -1 0 328.368 3.917 20 0 EHADRM Cc1[nH]c2ccccc2c1C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000829828428 603942088 /nfs/dbraw/zinc/94/20/88/603942088.db2.gz PYSXUZHFXQIJNA-UHFFFAOYSA-N -1 0 335.363 3.769 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)N2Cc3ccccc3-c3ccccc32)C1 ZINC000832255308 603951690 /nfs/dbraw/zinc/95/16/90/603951690.db2.gz SRDWHPHLYSKHKR-UKRRQHHQSA-N -1 0 336.391 3.637 20 0 EHADRM O=C([O-])Nc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCCS1 ZINC000832839110 603952229 /nfs/dbraw/zinc/95/22/29/603952229.db2.gz RCVJLGSEQHKTHW-JTQLQIEISA-N -1 0 334.319 3.629 20 0 EHADRM O=C([O-])Nc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCCS1 ZINC000832839111 603952595 /nfs/dbraw/zinc/95/25/95/603952595.db2.gz RCVJLGSEQHKTHW-SNVBAGLBSA-N -1 0 334.319 3.629 20 0 EHADRM CCCCc1noc([C@H](C)OC(=O)c2ccc(C)c(NC(=O)[O-])c2)n1 ZINC000826854085 603954040 /nfs/dbraw/zinc/95/40/40/603954040.db2.gz WEMUNIXVVLAGSP-NSHDSACASA-N -1 0 347.371 3.729 20 0 EHADRM Cc1ccc(C(=O)OC[C@@H]2OCCc3ccccc32)cc1NC(=O)[O-] ZINC000830238888 603957894 /nfs/dbraw/zinc/95/78/94/603957894.db2.gz UTKKYIRUBFXXBG-KRWDZBQOSA-N -1 0 341.363 3.556 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)C1(c2cccc(F)c2)CC1 ZINC000832069767 603960156 /nfs/dbraw/zinc/96/01/56/603960156.db2.gz PFUGUNQMNJJYQX-UHFFFAOYSA-N -1 0 340.354 3.537 20 0 EHADRM Cc1cc(F)ccc1NC(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000830068298 603967996 /nfs/dbraw/zinc/96/79/96/603967996.db2.gz KMZMDQMFWXAKAQ-UHFFFAOYSA-N -1 0 329.331 3.819 20 0 EHADRM CC(C)N(Cc1ccccc1)C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000824352252 603973190 /nfs/dbraw/zinc/97/31/90/603973190.db2.gz WZOLVZJICJUILC-AYHJJNSGSA-N -1 0 344.455 3.735 20 0 EHADRM CC[C@H]1CCCCCN1C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000826669865 603981813 /nfs/dbraw/zinc/98/18/13/603981813.db2.gz ZYGCKZOEQMPBRP-ZDUSSCGKSA-N -1 0 331.416 3.914 20 0 EHADRM CN(Cc1cccc(F)c1)C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000828366233 603987095 /nfs/dbraw/zinc/98/70/95/603987095.db2.gz TUVIHQVQXPLOKB-UHFFFAOYSA-N -1 0 343.358 3.530 20 0 EHADRM CC[C@@H](Oc1ccccc1F)C(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000826631467 604019497 /nfs/dbraw/zinc/01/94/97/604019497.db2.gz KKFIGNROXRVLHS-OAHLLOKOSA-N -1 0 347.342 3.703 20 0 EHADRM CC(C)Sc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc1 ZINC000824431067 604031059 /nfs/dbraw/zinc/03/10/59/604031059.db2.gz GUOOALXXXLZALA-CABCVRRESA-N -1 0 348.468 3.544 20 0 EHADRM Cc1nc(C)c(C(=O)Nc2ccc(NC(=O)[O-])cc2C(F)(F)F)o1 ZINC000830716071 604050611 /nfs/dbraw/zinc/05/06/11/604050611.db2.gz NJOWQGNBIZBWPY-UHFFFAOYSA-N -1 0 343.261 3.652 20 0 EHADRM COc1ccc(NC(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1NC(=O)[O-] ZINC000829460299 604134984 /nfs/dbraw/zinc/13/49/84/604134984.db2.gz JUFCJMATUFSXFE-FZMZJTMJSA-N -1 0 333.388 3.582 20 0 EHADRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2Cl)C1 ZINC000825242960 604150081 /nfs/dbraw/zinc/15/00/81/604150081.db2.gz BTKOZVLAQVHATI-VHSXEESVSA-N -1 0 345.226 3.502 20 0 EHADRM Cn1cc(CCC(=O)Nc2ccccc2NC(=O)[O-])c2ccccc21 ZINC000830999452 604178252 /nfs/dbraw/zinc/17/82/52/604178252.db2.gz IHAJMUOSMVHMIX-UHFFFAOYSA-N -1 0 337.379 3.840 20 0 EHADRM CN(Cc1ccccc1NC(=O)[C@@H]1C[C@@H]1Cc1ccccc1)C(=O)[O-] ZINC000828393253 604181204 /nfs/dbraw/zinc/18/12/04/604181204.db2.gz KGBOXUMMOHNERO-DLBZAZTESA-N -1 0 338.407 3.614 20 0 EHADRM Cc1nc2ccccc2nc1CNc1ccc2c(c1)CN(C(=O)[O-])CC2 ZINC000830791900 604214907 /nfs/dbraw/zinc/21/49/07/604214907.db2.gz CHKNHPOOKXMGJC-UHFFFAOYSA-N -1 0 348.406 3.586 20 0 EHADRM C[C@H]1CCC[C@@H](CC(=O)N2CCC(N(CC3CC3)C(=O)[O-])CC2)C1 ZINC000825887366 604241174 /nfs/dbraw/zinc/24/11/74/604241174.db2.gz KZNGVMXGCRDAJJ-GOEBONIOSA-N -1 0 336.476 3.584 20 0 EHADRM C[C@H]1CCC[C@H](CC(=O)N2CCC(N(CC3CC3)C(=O)[O-])CC2)C1 ZINC000825887368 604241266 /nfs/dbraw/zinc/24/12/66/604241266.db2.gz KZNGVMXGCRDAJJ-HOCLYGCPSA-N -1 0 336.476 3.584 20 0 EHADRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)c2c(Cl)cccc2Cl)C1 ZINC000825235920 604260802 /nfs/dbraw/zinc/26/08/02/604260802.db2.gz IVFOULVIUVQAMD-ZJUUUORDSA-N -1 0 345.226 3.502 20 0 EHADRM CCOc1ccc(N(CC)C(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000830079906 604278963 /nfs/dbraw/zinc/27/89/63/604278963.db2.gz CPZJNTBNHHXKIW-UHFFFAOYSA-N -1 0 331.343 3.589 20 0 EHADRM Cc1cc(C)c(NC(=O)N[C@@](C)(CNC(=O)[O-])C2CC2)c(Cl)c1 ZINC000829991387 604285591 /nfs/dbraw/zinc/28/55/91/604285591.db2.gz TVJXOEITFURRST-INIZCTEOSA-N -1 0 339.823 3.515 20 0 EHADRM Cc1ccc(CSCc2nc(C(C)(C)NC(=O)[O-])no2)cc1C ZINC000830325027 604288056 /nfs/dbraw/zinc/28/80/56/604288056.db2.gz WSRQIHYVMJXTRV-UHFFFAOYSA-N -1 0 335.429 3.623 20 0 EHADRM C[C@H](CC(=O)N1Cc2ccccc2[C@H](C)C1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825974860 604289305 /nfs/dbraw/zinc/28/93/05/604289305.db2.gz LSKQDJKOHYPMGA-BZUAXINKSA-N -1 0 344.455 3.549 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828891604 604293052 /nfs/dbraw/zinc/29/30/52/604293052.db2.gz ZTSOOSZHXZPOHW-INIZCTEOSA-N -1 0 343.398 3.926 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1cccc(COCC2CC2)c1 ZINC000832847118 604295103 /nfs/dbraw/zinc/29/51/03/604295103.db2.gz KAJNYDHYBJTGNB-UHFFFAOYSA-N -1 0 342.395 3.509 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2ccco2)c2ccccc2)cc1F ZINC000833310362 604307303 /nfs/dbraw/zinc/30/73/03/604307303.db2.gz OEPNQKVDZSEHJK-UHFFFAOYSA-N -1 0 339.322 3.964 20 0 EHADRM CC[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828753071 604308071 /nfs/dbraw/zinc/30/80/71/604308071.db2.gz DLEHYLPCFCLUAJ-ZDUSSCGKSA-N -1 0 329.371 3.965 20 0 EHADRM CC[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828753070 604308210 /nfs/dbraw/zinc/30/82/10/604308210.db2.gz DLEHYLPCFCLUAJ-CYBMUJFWSA-N -1 0 329.371 3.965 20 0 EHADRM Cc1ccc(NC(=O)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1 ZINC000830390544 604309103 /nfs/dbraw/zinc/30/91/03/604309103.db2.gz SATDQPAYDBXZIW-CYBMUJFWSA-N -1 0 327.384 3.645 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CCC(C(F)F)CC2)ccc1Cl ZINC000307864315 604319891 /nfs/dbraw/zinc/31/98/91/604319891.db2.gz CGYIIQAAKZAROY-UHFFFAOYSA-N -1 0 332.734 3.547 20 0 EHADRM C[C@H](NC(=O)[O-])C1CCN(C(=O)c2ccc(C(C)(C)C)s2)CC1 ZINC000825288744 604342634 /nfs/dbraw/zinc/34/26/34/604342634.db2.gz SHLBYQLTOCOGCI-NSHDSACASA-N -1 0 338.473 3.554 20 0 EHADRM Cc1cc(C)c(/C=C\C(=O)Nc2nc(CCC(=O)[O-])cs2)cc1C ZINC000832877560 604346130 /nfs/dbraw/zinc/34/61/30/604346130.db2.gz JUIRZUXDFQXIOM-XQRVVYSFSA-N -1 0 344.436 3.737 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N[C@@H]1CCCC(F)(F)C1)C(=O)[O-] ZINC000630296229 604348582 /nfs/dbraw/zinc/34/85/82/604348582.db2.gz ZVGRQBKOPOQLJY-GHMZBOCLSA-N -1 0 343.395 3.560 20 0 EHADRM Cc1ccc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])c(F)c1 ZINC000832910911 604377376 /nfs/dbraw/zinc/37/73/76/604377376.db2.gz BQMWWBXNHSEEBG-MRXNPFEDSA-N -1 0 329.371 3.716 20 0 EHADRM C[C@H](SCc1coc(-c2ccc(Br)cc2)n1)C(=O)[O-] ZINC000739053749 604386004 /nfs/dbraw/zinc/38/60/04/604386004.db2.gz DPDBJSAHWWVCOQ-QMMMGPOBSA-N -1 0 342.214 3.810 20 0 EHADRM Cc1cc(F)c2c(c1)CCCN2C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000832887308 604387881 /nfs/dbraw/zinc/38/78/81/604387881.db2.gz OOZYRUCMFWFPTN-UHFFFAOYSA-N -1 0 331.318 3.564 20 0 EHADRM C[C@H](CC(=O)N1Cc2ccccc2[C@H]1C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824606465 604388151 /nfs/dbraw/zinc/38/81/51/604388151.db2.gz PXYVTEBRMAOXFP-RBSFLKMASA-N -1 0 330.428 3.506 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1ccc2[nH]ccc2c1)c1ccccc1 ZINC000826102619 604390910 /nfs/dbraw/zinc/39/09/10/604390910.db2.gz DAWDPYJJCDXBKS-QGZVFWFLSA-N -1 0 336.391 3.750 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc(F)cc1C(F)(F)F)C1CCCCC1 ZINC000833124294 604392152 /nfs/dbraw/zinc/39/21/52/604392152.db2.gz WZPSWJCSSRHSSL-CYBMUJFWSA-N -1 0 347.308 3.608 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000829010019 604392966 /nfs/dbraw/zinc/39/29/66/604392966.db2.gz ZCGFZSNTDAUIPH-IAGOWNOFSA-N -1 0 347.455 3.693 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)Nc2cncc(C(=O)[O-])c2)ccc1C(C)C ZINC000832899627 604425502 /nfs/dbraw/zinc/42/55/02/604425502.db2.gz QUHFLPBQFWZPAW-CYBMUJFWSA-N -1 0 342.395 3.618 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccc(C)c(F)c1 ZINC000829028745 604428621 /nfs/dbraw/zinc/42/86/21/604428621.db2.gz XZFFJTBRJPUHHJ-QGZVFWFLSA-N -1 0 329.371 3.812 20 0 EHADRM CN(Cc1nc2ccccc2o1)[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000830879399 604439864 /nfs/dbraw/zinc/43/98/64/604439864.db2.gz KTUQPWCVZIJLBF-INIZCTEOSA-N -1 0 330.771 3.739 20 0 EHADRM CC(C)(C)O[C@H](C(=O)Nc1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC000833445637 604464791 /nfs/dbraw/zinc/46/47/91/604464791.db2.gz DXAMOCZDOPRCJJ-SFHVURJKSA-N -1 0 341.407 3.809 20 0 EHADRM COc1ccc([C@H](C)CCNC(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000832221311 604485728 /nfs/dbraw/zinc/48/57/28/604485728.db2.gz YVDPDIDVFCUNAZ-LLVKDONJSA-N -1 0 348.424 3.770 20 0 EHADRM O=C([O-])c1csc(NC(=O)N[C@H](Cc2ccccc2)C2CC2)c1 ZINC000833151356 604491674 /nfs/dbraw/zinc/49/16/74/604491674.db2.gz QCNINDWZTPFVES-CQSZACIVSA-N -1 0 330.409 3.589 20 0 EHADRM C[C@@H](NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])c1ccccc1 ZINC000827659806 604494184 /nfs/dbraw/zinc/49/41/84/604494184.db2.gz UTMLBPLHKYDTDQ-PBHICJAKSA-N -1 0 340.423 3.899 20 0 EHADRM CC(C)Cc1nc(C(=O)OC2CCC(CC(=O)[O-])CC2)cs1 ZINC000833495347 604498090 /nfs/dbraw/zinc/49/80/90/604498090.db2.gz ZVWXDLULSLUUKT-UHFFFAOYSA-N -1 0 325.430 3.532 20 0 EHADRM CCO[C@@H](CCNC(=O)Nc1cc(C(=O)[O-])cs1)C1CCCC1 ZINC000829918506 604509000 /nfs/dbraw/zinc/50/90/00/604509000.db2.gz QVJWWSRBQOJPCQ-ZDUSSCGKSA-N -1 0 340.445 3.553 20 0 EHADRM CC(C)[C@@H](NC(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccccc1Cl ZINC000826700395 604519448 /nfs/dbraw/zinc/51/94/48/604519448.db2.gz SCZGVKKCZAWAHU-MLGOLLRUSA-N -1 0 338.835 3.686 20 0 EHADRM C[C@@H](C1CC1)N(C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])C1CC1 ZINC000827214077 604522542 /nfs/dbraw/zinc/52/25/42/604522542.db2.gz YANIUHGORIDZFJ-GUYCJALGSA-N -1 0 344.455 3.811 20 0 EHADRM CC[C@@H]1C[C@@H](C)CN1C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000829074143 604522988 /nfs/dbraw/zinc/52/29/88/604522988.db2.gz AFLFGLTZFYXWDL-FVQBIDKESA-N -1 0 332.444 3.669 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)N1CCC(C)(C)CC1)c1ccccc1 ZINC000828068755 604533794 /nfs/dbraw/zinc/53/37/94/604533794.db2.gz CQJHVFXQVZXDBN-HNNXBMFYSA-N -1 0 332.444 3.670 20 0 EHADRM C[C@@H](c1ccco1)N(C)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000827957700 604536484 /nfs/dbraw/zinc/53/64/84/604536484.db2.gz NXBUFMDHVDRFTH-XJKSGUPXSA-N -1 0 344.411 3.834 20 0 EHADRM Cc1cc([C@H](C)OC(=O)Cc2coc3cc(O)ccc23)oc1C(=O)[O-] ZINC000832872328 604542056 /nfs/dbraw/zinc/54/20/56/604542056.db2.gz NNEWRUPPKSEVEG-JTQLQIEISA-N -1 0 344.319 3.585 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)Cc2coc3cc(O)ccc23)oc1C(=O)[O-] ZINC000832872329 604542216 /nfs/dbraw/zinc/54/22/16/604542216.db2.gz NNEWRUPPKSEVEG-SNVBAGLBSA-N -1 0 344.319 3.585 20 0 EHADRM CC(C)[C@@H](C(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000833465473 604543647 /nfs/dbraw/zinc/54/36/47/604543647.db2.gz KYQOAWBFMYMEEX-GOSISDBHSA-N -1 0 345.370 3.667 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)cn1 ZINC000827117797 604549384 /nfs/dbraw/zinc/54/93/84/604549384.db2.gz JRMCCWGWPGSSRE-QGZVFWFLSA-N -1 0 326.396 3.541 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2ccc(Cl)cc2F)oc1C(=O)[O-] ZINC000832873942 604552331 /nfs/dbraw/zinc/55/23/31/604552331.db2.gz GLWMOMGPAZACMJ-QMMMGPOBSA-N -1 0 326.707 3.997 20 0 EHADRM Cc1cc([C@H](C)OC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)oc1C(=O)[O-] ZINC000832877544 604553106 /nfs/dbraw/zinc/55/31/06/604553106.db2.gz UKZHBRWSSPPIII-ZLKJLUDKSA-N -1 0 332.327 3.833 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@H]1CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000262840856 604567481 /nfs/dbraw/zinc/56/74/81/604567481.db2.gz CDTNDHKASZJRTE-RISCZKNCSA-N -1 0 343.345 3.665 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2cnc(C(C)(C)C)s2)oc1C(=O)[O-] ZINC000832873459 604572843 /nfs/dbraw/zinc/57/28/43/604572843.db2.gz KGYQDXQZPXXDKT-VIFPVBQESA-N -1 0 337.397 3.958 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000262847131 604576840 /nfs/dbraw/zinc/57/68/40/604576840.db2.gz CSQICGXDKUEPOZ-CYBMUJFWSA-N -1 0 333.384 3.634 20 0 EHADRM CCS[C@H](C(=O)Nc1cccc(SCCC(=O)[O-])c1)C(C)C ZINC000833666922 604577030 /nfs/dbraw/zinc/57/70/30/604577030.db2.gz BXNNHNWJHDGKBZ-HNNXBMFYSA-N -1 0 341.498 3.970 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2csc(-c3ccoc3)n2)oc1C(=O)[O-] ZINC000832874813 604584298 /nfs/dbraw/zinc/58/42/98/604584298.db2.gz QCVZECNLGYOMHO-VIFPVBQESA-N -1 0 347.348 3.921 20 0 EHADRM C[C@H]1CCCN(C(=O)Nc2cccc(CSCC(=O)[O-])c2)[C@H]1C ZINC000833614614 604587740 /nfs/dbraw/zinc/58/77/40/604587740.db2.gz QNJDSQRFDHWLKG-STQMWFEESA-N -1 0 336.457 3.657 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)N(C)c2ccc(F)cc2)cc1 ZINC000825383404 604613068 /nfs/dbraw/zinc/61/30/68/604613068.db2.gz QKMGUDYSUKRXIH-GFCCVEGCSA-N -1 0 345.374 3.500 20 0 EHADRM CS/C=C/C(=O)OCc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000832753768 604618276 /nfs/dbraw/zinc/61/82/76/604618276.db2.gz RYBWCLUYBGAHBU-AATRIKPKSA-N -1 0 326.370 3.659 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000827033770 604630143 /nfs/dbraw/zinc/63/01/43/604630143.db2.gz RBYWBZGPNINSCE-NSHDSACASA-N -1 0 340.807 3.598 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)Nc1ccccc1CCC(F)(F)F ZINC000833214700 604636959 /nfs/dbraw/zinc/63/69/59/604636959.db2.gz VPVHSTRXIDUJFO-LBPRGKRZSA-N -1 0 344.333 3.653 20 0 EHADRM CC(C)(C(=O)NCc1ccc(OCCCC(=O)[O-])cc1)C1CCCC1 ZINC000191003996 604638070 /nfs/dbraw/zinc/63/80/70/604638070.db2.gz ZTVSRSWAKPAPNO-UHFFFAOYSA-N -1 0 347.455 3.763 20 0 EHADRM CC[C@@H](NC(=O)Nc1cccc(C(=O)[O-])c1C)c1c(C)noc1C ZINC000833642474 604657780 /nfs/dbraw/zinc/65/77/80/604657780.db2.gz BBPIMILBERBYGX-CYBMUJFWSA-N -1 0 331.372 3.571 20 0 EHADRM Cc1cc(F)cc(NC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000832887916 604666658 /nfs/dbraw/zinc/66/66/58/604666658.db2.gz MJFAUSKTZYCPGT-BLLLJJGKSA-N -1 0 330.359 3.718 20 0 EHADRM Cc1nc2ccccc2nc1SCC(=O)c1cccc(C(=O)[O-])c1 ZINC000833756021 604673484 /nfs/dbraw/zinc/67/34/84/604673484.db2.gz HRYMCYZVFMHRMD-UHFFFAOYSA-N -1 0 338.388 3.611 20 0 EHADRM CCCC[C@@H](NC(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccc(OC)cc1 ZINC000829286052 604685118 /nfs/dbraw/zinc/68/51/18/604685118.db2.gz QDLWIHDHFXQFOX-NVXWUHKLSA-N -1 0 348.443 3.575 20 0 EHADRM CC[C@@H](NC(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccc(Cl)s1 ZINC000828944064 604685879 /nfs/dbraw/zinc/68/58/79/604685879.db2.gz VCYAAZTXOBNYNP-NXEZZACHSA-N -1 0 330.837 3.501 20 0 EHADRM C[C@@H](OC(=O)Cc1ccc(F)cc1Cl)c1ccc(C(=O)[O-])o1 ZINC000827838891 604691841 /nfs/dbraw/zinc/69/18/41/604691841.db2.gz LTOHZDMGIGQQGV-MRVPVSSYSA-N -1 0 326.707 3.617 20 0 EHADRM CCC[C@@H](C(=O)OCC(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000833647285 604695221 /nfs/dbraw/zinc/69/52/21/604695221.db2.gz ADDNITTXTAIWHK-QGZVFWFLSA-N -1 0 340.375 3.695 20 0 EHADRM C[C@@H](C(=O)N(C)C1(C(=O)[O-])CCCC1)c1ccccc1C(F)(F)F ZINC000825971705 604707072 /nfs/dbraw/zinc/70/70/72/604707072.db2.gz DUJLWCFVERPXDH-LLVKDONJSA-N -1 0 343.345 3.665 20 0 EHADRM Cc1cc([C@H](C)Sc2nncn2-c2ccccc2F)oc1C(=O)[O-] ZINC000832872820 604708693 /nfs/dbraw/zinc/70/86/93/604708693.db2.gz AUXPGZDTUAMXQH-JTQLQIEISA-N -1 0 347.371 3.859 20 0 EHADRM CN(C(=O)CCc1ccc(Cl)c(Cl)c1)C1(C(=O)[O-])CCCC1 ZINC000830477908 604710848 /nfs/dbraw/zinc/71/08/48/604710848.db2.gz GMNVUFMABVBEIY-UHFFFAOYSA-N -1 0 344.238 3.782 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000262132805 604720435 /nfs/dbraw/zinc/72/04/35/604720435.db2.gz HRMXADSLLNEENX-QGZVFWFLSA-N -1 0 343.810 3.775 20 0 EHADRM CN(C(=O)[C@H]1C[C@H]1c1cccc2ccccc21)C1(C(=O)[O-])CCCC1 ZINC000830457924 604725218 /nfs/dbraw/zinc/72/52/18/604725218.db2.gz PJIMCPKLPOVARN-ROUUACIJSA-N -1 0 337.419 3.799 20 0 EHADRM C/C(=C/c1cccc(Cl)c1)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000761579593 604736449 /nfs/dbraw/zinc/73/64/49/604736449.db2.gz ZPWQQISJZJWYGA-UILAEWCASA-N -1 0 329.783 3.685 20 0 EHADRM Cc1cc([C@H](C)Sc2nccn2Cc2ccccn2)oc1C(=O)[O-] ZINC000832876818 604745217 /nfs/dbraw/zinc/74/52/17/604745217.db2.gz YHUGJXJOBSNYQF-LBPRGKRZSA-N -1 0 343.408 3.779 20 0 EHADRM COC1CCC(CC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CC1 ZINC000833719906 604752955 /nfs/dbraw/zinc/75/29/55/604752955.db2.gz VYJYCMFGGCHCIE-UHFFFAOYSA-N -1 0 325.792 3.572 20 0 EHADRM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC000263304161 604762221 /nfs/dbraw/zinc/76/22/21/604762221.db2.gz VJBIZLDYELSLMN-ACJLOTCBSA-N -1 0 341.382 3.676 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC000262800670 604762355 /nfs/dbraw/zinc/76/23/55/604762355.db2.gz MJVVIXYCKAWDER-FZKQIMNGSA-N -1 0 341.382 3.676 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2cc3ccccc3c(Cl)n2)CC1 ZINC000326348849 604764084 /nfs/dbraw/zinc/76/40/84/604764084.db2.gz CNJIAXZSOGTTEC-UHFFFAOYSA-N -1 0 346.814 3.605 20 0 EHADRM CN(C(=O)[O-])c1ccc(NCc2ccc(Br)cn2)cc1 ZINC000833685385 604775944 /nfs/dbraw/zinc/77/59/44/604775944.db2.gz LZXZHULWZXPGEF-UHFFFAOYSA-N -1 0 336.189 3.570 20 0 EHADRM CCOCCC1(CNC(=O)Nc2ccc(NC(=O)[O-])cc2)CCCC1 ZINC000827394533 604790672 /nfs/dbraw/zinc/79/06/72/604790672.db2.gz WOEOOXWLGBLWTM-UHFFFAOYSA-N -1 0 349.431 3.885 20 0 EHADRM CCOCc1cccc(NC(=O)C[C@H](C)C2CCN(C(=O)[O-])CC2)c1 ZINC000827408201 604811892 /nfs/dbraw/zinc/81/18/92/604811892.db2.gz FAEWDHBAUQUDHI-AWEZNQCLSA-N -1 0 348.443 3.578 20 0 EHADRM CC(C)c1ccsc1C(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000679098121 604813112 /nfs/dbraw/zinc/81/31/12/604813112.db2.gz PSVFKEVQNFHSRE-UHFFFAOYSA-N -1 0 329.421 3.768 20 0 EHADRM CCc1nc2sccc2c(N2CCc3ccc(C(=O)[O-])cc3C2)n1 ZINC000569106621 604834074 /nfs/dbraw/zinc/83/40/74/604834074.db2.gz LGDOHOZXTUWNCI-UHFFFAOYSA-N -1 0 339.420 3.515 20 0 EHADRM C/C(=C/c1cccc(Cl)c1)C(=O)N(CC(=O)[O-])c1cccc(C)n1 ZINC000833385113 604835343 /nfs/dbraw/zinc/83/53/43/604835343.db2.gz GHCGVXWBMUCGGP-XFXZXTDPSA-N -1 0 344.798 3.565 20 0 EHADRM CC(C)N(C(=O)CCc1ccccc1C(=O)[O-])c1ccc(F)cc1 ZINC000833495466 604836937 /nfs/dbraw/zinc/83/69/37/604836937.db2.gz BWUUGZUNHZHHMO-UHFFFAOYSA-N -1 0 329.371 3.898 20 0 EHADRM CC1(OCC(=O)O[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CCC1 ZINC000828115623 604841894 /nfs/dbraw/zinc/84/18/94/604841894.db2.gz DEHHPOAFTBWYDY-ZDUSSCGKSA-N -1 0 347.194 3.622 20 0 EHADRM Cc1cc(F)cc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)c1 ZINC000345966739 604847280 /nfs/dbraw/zinc/84/72/80/604847280.db2.gz QMWCQOJYPVKGCK-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)C1CCCC1 ZINC000826014165 604848150 /nfs/dbraw/zinc/84/81/50/604848150.db2.gz PGZLMIYPTMLVHA-SNVBAGLBSA-N -1 0 325.792 3.568 20 0 EHADRM O=C([O-])c1ccc(C(=O)OCc2ccccc2C(F)(F)F)cc1F ZINC000833352489 604860000 /nfs/dbraw/zinc/86/00/00/604860000.db2.gz FQKKUXMKANJHGC-UHFFFAOYSA-N -1 0 342.244 3.900 20 0 EHADRM CC1(C)CN(C(=O)Nc2cccc(F)c2C(=O)[O-])Cc2ccccc21 ZINC000833559968 604864575 /nfs/dbraw/zinc/86/45/75/604864575.db2.gz JIRABZVBZYQFDM-UHFFFAOYSA-N -1 0 342.370 3.849 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000013223954 604865214 /nfs/dbraw/zinc/86/52/14/604865214.db2.gz HCRDNTSDKDIBHF-CQSZACIVSA-N -1 0 337.297 3.651 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)[C@@H]2CCCc3sccc32)c2ccccc21 ZINC000325873631 604866152 /nfs/dbraw/zinc/86/61/52/604866152.db2.gz LYCOGZZXQABKDC-SWLSCSKDSA-N -1 0 341.432 3.773 20 0 EHADRM CC(=O)CCCCCCC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000833388310 604870376 /nfs/dbraw/zinc/87/03/76/604870376.db2.gz TUMOJJCDHKSVEY-UHFFFAOYSA-N -1 0 325.792 3.906 20 0 EHADRM C[C@@H]1CCC[C@@H](C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)C1 ZINC000345807101 604870409 /nfs/dbraw/zinc/87/04/09/604870409.db2.gz PQPXRSARZAAWTJ-UDZFHETQSA-N -1 0 327.783 3.547 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)C1 ZINC000345807099 604870532 /nfs/dbraw/zinc/87/05/32/604870532.db2.gz PQPXRSARZAAWTJ-OLUVUFQESA-N -1 0 327.783 3.547 20 0 EHADRM Cc1cc(C(=O)N2CCCC23CCCCC3)cc(C)c1OCC(=O)[O-] ZINC000630296578 604878708 /nfs/dbraw/zinc/87/87/08/604878708.db2.gz YFLKMYLYPRVPLJ-UHFFFAOYSA-N -1 0 345.439 3.706 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cccc(Cl)c2Cl)C1 ZINC000317036311 604883277 /nfs/dbraw/zinc/88/32/77/604883277.db2.gz APLCTBBFIBPAHN-JTQLQIEISA-N -1 0 344.238 3.956 20 0 EHADRM O=C([O-])c1ccc(C(=O)OCc2nc(Cl)ccc2Cl)cc1F ZINC000833353446 604884482 /nfs/dbraw/zinc/88/44/82/604884482.db2.gz KBGGLWUHEARZJM-UHFFFAOYSA-N -1 0 344.125 3.583 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)CCc2ccc(Cl)cc2)C1 ZINC000679105866 604892008 /nfs/dbraw/zinc/89/20/08/604892008.db2.gz SZNICNDBZZXZRM-CQSZACIVSA-N -1 0 337.847 3.622 20 0 EHADRM CC1=C(C(=O)NC[C@H](Cc2cccc3ccccc32)C(=O)[O-])CCC1 ZINC000262027725 604893521 /nfs/dbraw/zinc/89/35/21/604893521.db2.gz AKLSXBWGKJWKAY-KRWDZBQOSA-N -1 0 337.419 3.700 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1ccc(F)c(Cl)c1 ZINC000832902286 604917898 /nfs/dbraw/zinc/91/78/98/604917898.db2.gz MMMPUQHJMFEIDJ-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM Cc1ccc2nc(NC(=O)c3ccc(C(=O)[O-])c(F)c3)sc2c1 ZINC000832959514 604921131 /nfs/dbraw/zinc/92/11/31/604921131.db2.gz HMRLBNGWMVYHNZ-UHFFFAOYSA-N -1 0 330.340 3.694 20 0 EHADRM C[C@H](CC(=O)N1CCCC[C@@H]1c1ccco1)C1CCN(C(=O)[O-])CC1 ZINC000824580786 604921501 /nfs/dbraw/zinc/92/15/01/604921501.db2.gz JHMHWEKKXDCLKK-GDBMZVCRSA-N -1 0 348.443 3.749 20 0 EHADRM CCCN(Cc1ccccc1F)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000829496440 604928716 /nfs/dbraw/zinc/92/87/16/604928716.db2.gz AJSPCNQUXORYRT-UHFFFAOYSA-N -1 0 333.334 3.715 20 0 EHADRM C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000827929038 604929197 /nfs/dbraw/zinc/92/91/97/604929197.db2.gz UPDYOMZKMROBKM-SECBINFHSA-N -1 0 337.297 3.635 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1coc2ccccc12 ZINC000237948806 604932620 /nfs/dbraw/zinc/93/26/20/604932620.db2.gz GOARWQGXNWWMAB-UHFFFAOYSA-N -1 0 337.375 3.940 20 0 EHADRM CCn1c(C)cc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)c1C ZINC000237201265 604935032 /nfs/dbraw/zinc/93/50/32/604935032.db2.gz YRZBJBAVPLDBOG-UHFFFAOYSA-N -1 0 342.439 3.632 20 0 EHADRM Cc1cc(O)ccc1NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000833747168 604936317 /nfs/dbraw/zinc/93/63/17/604936317.db2.gz SDPZRUGEDXYJEM-NSHDSACASA-N -1 0 331.393 3.518 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1cc(F)cc(Cl)c1 ZINC000833226626 604938511 /nfs/dbraw/zinc/93/85/11/604938511.db2.gz LOQMCEJVEKEGLD-UHFFFAOYSA-N -1 0 349.789 3.986 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)N[C@H]2CCOC3(CCCCC3)C2)c1 ZINC000833287989 604949574 /nfs/dbraw/zinc/94/95/74/604949574.db2.gz IHOGDLOEDOJLBB-HNNXBMFYSA-N -1 0 347.415 3.780 20 0 EHADRM COc1cc2ccccc2cc1C(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000833730311 604958905 /nfs/dbraw/zinc/95/89/05/604958905.db2.gz SBSGBJJEXNMWTJ-OXQOHEQNSA-N -1 0 341.407 3.612 20 0 EHADRM C[C@@]1(NC(=O)c2ccc(Oc3ccccc3)o2)CCCC[C@@H]1C(=O)[O-] ZINC000262763692 604967052 /nfs/dbraw/zinc/96/70/52/604967052.db2.gz KQCWHIMMDNDJIE-AUUYWEPGSA-N -1 0 343.379 3.835 20 0 EHADRM O=C([O-])CCc1csc(NC(=O)NCC2CCCCCCC2)n1 ZINC000833239481 604970652 /nfs/dbraw/zinc/97/06/52/604970652.db2.gz HDGBTNCUHZTGEW-UHFFFAOYSA-N -1 0 339.461 3.642 20 0 EHADRM Cc1ccc(Br)c(NC(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000164170918 604976023 /nfs/dbraw/zinc/97/60/23/604976023.db2.gz ZSUXTEQSRKSFAR-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM CC(C)(C)CCCCNC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833429848 604983574 /nfs/dbraw/zinc/98/35/74/604983574.db2.gz YWCKYZSXDXLUJI-AWEZNQCLSA-N -1 0 326.481 3.735 20 0 EHADRM CC[C@@H](C)[C@@H]1CCCCN1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000828737708 604987002 /nfs/dbraw/zinc/98/70/02/604987002.db2.gz LWADYQIAZZUEIP-YPMHNXCESA-N -1 0 339.461 3.593 20 0 EHADRM COc1ccc(N[C@H](C(=O)[O-])c2cccnc2)cc1OC1CCCC1 ZINC000832408510 604990859 /nfs/dbraw/zinc/99/08/59/604990859.db2.gz VEOXMNPDXIZLNJ-SFHVURJKSA-N -1 0 342.395 3.649 20 0 EHADRM Cc1ccc(N[C@@H](C(=O)[O-])c2cccnc2)cc1NC(=O)C(C)(C)C ZINC000832948968 605000843 /nfs/dbraw/zinc/00/08/43/605000843.db2.gz KWQFJYBEWFEJLO-MRXNPFEDSA-N -1 0 341.411 3.612 20 0 EHADRM C[C@H]1CCc2ccccc2[C@H]1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000833616699 605003528 /nfs/dbraw/zinc/00/35/28/605003528.db2.gz DVLZTVOTDULRNL-UGSOOPFHSA-N -1 0 338.407 3.508 20 0 EHADRM C[C@@H](OC(=O)c1nc(-c2ccccc2)oc1-c1ccccc1)C(=O)[O-] ZINC000737715949 605014656 /nfs/dbraw/zinc/01/46/56/605014656.db2.gz DCYWTTKHQKHJFI-GFCCVEGCSA-N -1 0 337.331 3.639 20 0 EHADRM CCN(c1ccc(C)cc1C)S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC000833655125 605019289 /nfs/dbraw/zinc/01/92/89/605019289.db2.gz YWMVSCGQIZRNOM-UHFFFAOYSA-N -1 0 347.436 3.525 20 0 EHADRM CC(C)(C)OCc1ccccc1C(=O)OCc1occc1C(=O)[O-] ZINC000833445664 605019678 /nfs/dbraw/zinc/01/96/78/605019678.db2.gz KAFFKZFDAITBFV-UHFFFAOYSA-N -1 0 332.352 3.650 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cncc(C(=O)[O-])c1 ZINC000630153046 605031422 /nfs/dbraw/zinc/03/14/22/605031422.db2.gz PNRNMXNUGXXFEC-RYUDHWBXSA-N -1 0 346.814 3.697 20 0 EHADRM Cc1ccc(-c2nc(COC(=O)CC(C)(C)CC(=O)[O-])cs2)o1 ZINC000833746705 605031661 /nfs/dbraw/zinc/03/16/61/605031661.db2.gz OHLRYVWIYLCAAP-UHFFFAOYSA-N -1 0 337.397 3.646 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1cncc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC000833423578 605032217 /nfs/dbraw/zinc/03/22/17/605032217.db2.gz NVVAWVUUIVKPIO-HNNXBMFYSA-N -1 0 348.349 3.575 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)Nc2nc(CC(=O)[O-])cs2)cc1 ZINC000683298253 605043406 /nfs/dbraw/zinc/04/34/06/605043406.db2.gz UROFNKLSTIBCJX-ARJAWSKDSA-N -1 0 344.436 3.936 20 0 EHADRM C[C@H](c1ccc(C(=O)[O-])o1)N1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000833547706 605049553 /nfs/dbraw/zinc/04/95/53/605049553.db2.gz HTIQLPLKXYYJED-ZIAGYGMSSA-N -1 0 346.402 3.557 20 0 EHADRM C/C(=C/C(=O)OCc1ccccc1CC(=O)[O-])c1ccc(F)cc1 ZINC000833383367 605055215 /nfs/dbraw/zinc/05/52/15/605055215.db2.gz NDMOCROIGUFKBN-RAXLEYEMSA-N -1 0 328.339 3.600 20 0 EHADRM CCN(CC)C(=O)CSCc1c2ccccc2sc1C(=O)[O-] ZINC000318970395 605057922 /nfs/dbraw/zinc/05/79/22/605057922.db2.gz DSCWNTSUUORBBA-UHFFFAOYSA-N -1 0 337.466 3.701 20 0 EHADRM CN(Cc1ccc(NC(=O)CCc2ccc(F)cc2F)cc1)C(=O)[O-] ZINC000833694935 605067758 /nfs/dbraw/zinc/06/77/58/605067758.db2.gz FQANXTLQSGTMLS-UHFFFAOYSA-N -1 0 348.349 3.646 20 0 EHADRM CC(C)[C@@H]1C[C@H](CC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)CCO1 ZINC000833470782 605073297 /nfs/dbraw/zinc/07/32/97/605073297.db2.gz LPZNHLFEQMTRCF-ABAIWWIYSA-N -1 0 338.379 3.695 20 0 EHADRM O=C([O-])C1(CNC(=O)c2ccc(C(F)(F)F)cc2Cl)CCCC1 ZINC000833766762 605089469 /nfs/dbraw/zinc/08/94/69/605089469.db2.gz MEFQWHWUNRAPHQ-UHFFFAOYSA-N -1 0 349.736 3.734 20 0 EHADRM CCC1(C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)CCC1 ZINC000833647147 605093979 /nfs/dbraw/zinc/09/39/79/605093979.db2.gz XZGLLUPGGRXQCV-UHFFFAOYSA-N -1 0 326.190 3.666 20 0 EHADRM C[C@H]1CC[C@@]2(CCN(C(=O)Nc3ccc(CN(C)C(=O)[O-])cc3)C2)C1 ZINC000833612348 605096085 /nfs/dbraw/zinc/09/60/85/605096085.db2.gz TYHWZJRWTXZGML-IFXJQAMLSA-N -1 0 345.443 3.840 20 0 EHADRM CCC(CC)(CNC(=O)N1CCC[C@@H]1c1cccc(C)c1)C(=O)[O-] ZINC000424411604 605099001 /nfs/dbraw/zinc/09/90/01/605099001.db2.gz LECCQGWRGJFKBG-MRXNPFEDSA-N -1 0 332.444 3.733 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000833641987 605102001 /nfs/dbraw/zinc/10/20/01/605102001.db2.gz UUAPPKMCGYJEIU-UHFFFAOYSA-N -1 0 329.400 3.527 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(Oc2ccc(F)cc2)cn1 ZINC000833454771 605108395 /nfs/dbraw/zinc/10/83/95/605108395.db2.gz OXXYGTBVJMVCIO-UHFFFAOYSA-N -1 0 346.358 3.843 20 0 EHADRM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000194382316 605109249 /nfs/dbraw/zinc/10/92/49/605109249.db2.gz QMTZATFJDUFSRO-RWBZWWBESA-N -1 0 329.440 3.705 20 0 EHADRM O=C([O-])c1occc1CNc1cccc2c1CN(c1ccccn1)C2 ZINC000833785526 605120882 /nfs/dbraw/zinc/12/08/82/605120882.db2.gz ZYWSKBXQIINQQA-UHFFFAOYSA-N -1 0 335.363 3.505 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C(F)(F)c2ccccc2F)cc1Cl ZINC000833782525 605129420 /nfs/dbraw/zinc/12/94/20/605129420.db2.gz HXPSITMSHBUXEQ-UHFFFAOYSA-N -1 0 343.688 3.908 20 0 EHADRM C[C@H]1CC[C@H](C)N1C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000833604584 605136773 /nfs/dbraw/zinc/13/67/73/605136773.db2.gz SCHVFNVPBMWPDQ-IUCAKERBSA-N -1 0 330.306 3.808 20 0 EHADRM C[C@H](OC(=O)/C=C\c1ccc2[nH]ccc2c1)c1ccc(C(=O)[O-])o1 ZINC000833527594 605140197 /nfs/dbraw/zinc/14/01/97/605140197.db2.gz JYFWTDDIWYGQHV-UFVHFEBBSA-N -1 0 325.320 3.777 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2F)CC1 ZINC000171790632 605148325 /nfs/dbraw/zinc/14/83/25/605148325.db2.gz XBQOYDDVOQSSMC-UHFFFAOYSA-N -1 0 333.281 3.674 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1cccc(F)c1F ZINC000833521489 605161605 /nfs/dbraw/zinc/16/16/05/605161605.db2.gz NSLHHBYOHNAPIS-QMMMGPOBSA-N -1 0 338.285 3.685 20 0 EHADRM CC(C)[C@H]1c2ccccc2CCN1C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000833472896 605169132 /nfs/dbraw/zinc/16/91/32/605169132.db2.gz GJKWFOQXKGVTHF-KRWDZBQOSA-N -1 0 339.395 3.567 20 0 EHADRM CC(C)(NCc1occc1C(=O)[O-])c1ccccc1Br ZINC000833460641 605172256 /nfs/dbraw/zinc/17/22/56/605172256.db2.gz KDDVIGWFUNDBFV-UHFFFAOYSA-N -1 0 338.201 3.765 20 0 EHADRM CC1(c2ccccc2)CCN(C(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC000833573654 605178774 /nfs/dbraw/zinc/17/87/74/605178774.db2.gz LECXIMZUOHFRJP-UHFFFAOYSA-N -1 0 338.407 3.970 20 0 EHADRM CC1(C(=O)OCc2coc(-c3ccc(C(=O)[O-])cc3)n2)CCCC1 ZINC000833554836 605180014 /nfs/dbraw/zinc/18/00/14/605180014.db2.gz MHDPYHZHKZSKAJ-UHFFFAOYSA-N -1 0 329.352 3.663 20 0 EHADRM CC(C)(C)O[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000833445839 605181373 /nfs/dbraw/zinc/18/13/73/605181373.db2.gz JACZPGMYEXJYSC-MRXNPFEDSA-N -1 0 327.380 3.880 20 0 EHADRM CC(C)(C)CCC(=O)OCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833429639 605187458 /nfs/dbraw/zinc/18/74/58/605187458.db2.gz SAKRCZLSLQZHFH-UHFFFAOYSA-N -1 0 331.368 3.909 20 0 EHADRM CC(C)(C)SCCCC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000833446488 605198274 /nfs/dbraw/zinc/19/82/74/605198274.db2.gz DOLMSZLXXDPRLC-AWEZNQCLSA-N -1 0 345.411 3.519 20 0 EHADRM CCC(CC)n1ccc(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])n1 ZINC000826576370 605213566 /nfs/dbraw/zinc/21/35/66/605213566.db2.gz UPYPRVCWBUTMQN-UHFFFAOYSA-N -1 0 342.399 3.537 20 0 EHADRM C[C@H](c1ccccn1)N(C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833550349 605217585 /nfs/dbraw/zinc/21/75/85/605217585.db2.gz TZJQKYYTDZCYGU-CYBMUJFWSA-N -1 0 337.379 3.628 20 0 EHADRM CCO[C@@H]1C[C@H](Nc2ccc(CNC(=O)[O-])cc2)C12CCCCC2 ZINC000833661764 605219837 /nfs/dbraw/zinc/21/98/37/605219837.db2.gz XGRLXFCFSCXRDK-DLBZAZTESA-N -1 0 332.444 3.994 20 0 EHADRM Cc1nc(-c2ccc3ccccc3c2)n(C[C@@H]2CC(C(=O)[O-])=C(C)O2)n1 ZINC000833578442 605235007 /nfs/dbraw/zinc/23/50/07/605235007.db2.gz IKCVRIWENFZERT-KRWDZBQOSA-N -1 0 349.390 3.554 20 0 EHADRM CC(C)(C)OC(=O)N1CCC(Nc2ccc(NC(=O)[O-])cc2)CC1 ZINC000823805763 605242094 /nfs/dbraw/zinc/24/20/94/605242094.db2.gz XGUWLHGZCUBGIE-UHFFFAOYSA-N -1 0 335.404 3.588 20 0 EHADRM CC(C)(C(=O)Nc1ccc(C(=O)[O-])nc1)c1ccc2ccccc2c1 ZINC000833411366 605251959 /nfs/dbraw/zinc/25/19/59/605251959.db2.gz DOGNWHSUOXVVRY-UHFFFAOYSA-N -1 0 334.375 3.849 20 0 EHADRM O=C([O-])N(CC(=O)Nc1ccnn1C1CCCCC1)c1ccccc1 ZINC000831455770 605252082 /nfs/dbraw/zinc/25/20/82/605252082.db2.gz HTSQLCODURVEKO-UHFFFAOYSA-N -1 0 342.399 3.511 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cn1 ZINC000833782454 605256168 /nfs/dbraw/zinc/25/61/68/605256168.db2.gz GTGLIBGNGAUIOU-UHFFFAOYSA-N -1 0 332.359 3.550 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000833642089 605258069 /nfs/dbraw/zinc/25/80/69/605258069.db2.gz YUJDVUZFDKXLAT-HZPDHXFCSA-N -1 0 349.475 3.706 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000683320129 605259755 /nfs/dbraw/zinc/25/97/55/605259755.db2.gz JEFIRHWUWUWWKS-INIZCTEOSA-N -1 0 335.419 3.640 20 0 EHADRM COc1ccc2oc([C@@H](C)NC(=O)CC(C)(C)CC(=O)[O-])c(C)c2c1 ZINC000237342481 605259886 /nfs/dbraw/zinc/25/98/86/605259886.db2.gz VKEHYIGNJGCXDD-GFCCVEGCSA-N -1 0 347.411 3.818 20 0 EHADRM CC(C)(C)C1CCC(=CC(=O)N[C@H](C(=O)[O-])c2cccc(O)c2)CC1 ZINC000833426968 605267951 /nfs/dbraw/zinc/26/79/51/605267951.db2.gz XETBJVXIBCIDQK-PKHIMPSTSA-N -1 0 345.439 3.797 20 0 EHADRM Cc1nc(-c2ccc(C)cc2C)sc1C(=O)OCCCC(=O)[O-] ZINC000738250442 605280197 /nfs/dbraw/zinc/28/01/97/605280197.db2.gz ANZCWXHIXORATP-UHFFFAOYSA-N -1 0 333.409 3.757 20 0 EHADRM CC(C)(C)n1cc(NC(=O)Nc2ccc(NC(=O)[O-])c(F)c2)cn1 ZINC000833451980 605281384 /nfs/dbraw/zinc/28/13/84/605281384.db2.gz KAHHKUNUYOXBIG-UHFFFAOYSA-N -1 0 335.339 3.511 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CNC(=O)Nc2ccc(NC(=O)[O-])c(F)c2)o1 ZINC000833603737 605284025 /nfs/dbraw/zinc/28/40/25/605284025.db2.gz HRGIJFHMBHAMOQ-CABZTGNLSA-N -1 0 347.346 3.954 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccnc(C2CC2)c1)c1cccc(Cl)c1 ZINC000833773248 605295250 /nfs/dbraw/zinc/29/52/50/605295250.db2.gz SFVQWXUPTKBNIY-MRXNPFEDSA-N -1 0 344.798 3.558 20 0 EHADRM COc1c(Cl)cc(Cl)cc1CNc1cncc(C(=O)[O-])c1 ZINC000833727222 605327969 /nfs/dbraw/zinc/32/79/69/605327969.db2.gz QMNKYNBQZSAOAK-UHFFFAOYSA-N -1 0 327.167 3.707 20 0 EHADRM CN(CCCC(=O)Nc1ccc(Sc2ccncc2)cc1)C(=O)[O-] ZINC000828284400 605338596 /nfs/dbraw/zinc/33/85/96/605338596.db2.gz AAUPYNGOUCXAEI-UHFFFAOYSA-N -1 0 345.424 3.561 20 0 EHADRM Cc1ccc(C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)cc1NC(=O)[O-] ZINC000830206253 605341349 /nfs/dbraw/zinc/34/13/49/605341349.db2.gz YQLYORNZVGFJOI-CGTJXYLNSA-N -1 0 336.391 3.543 20 0 EHADRM CN(C(=O)c1ccc(-c2ccccc2)o1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000833686427 605350090 /nfs/dbraw/zinc/35/00/90/605350090.db2.gz VJIYXWAEPWOOOD-GOSISDBHSA-N -1 0 335.359 3.845 20 0 EHADRM COCc1cccc(CN[C@H](C(=O)[O-])c2c(F)cccc2Cl)c1 ZINC000833725692 605355381 /nfs/dbraw/zinc/35/53/81/605355381.db2.gz GBPLXDMKZVDQHK-INIZCTEOSA-N -1 0 337.778 3.541 20 0 EHADRM C[C@@H]1CCC[C@H]1C(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000833608954 605366473 /nfs/dbraw/zinc/36/64/73/605366473.db2.gz OTDITJQHWHTVDN-WQAKAFBOSA-N -1 0 330.302 3.968 20 0 EHADRM CN(C(=O)c1ccc(-c2ccccc2)o1)C1(C(=O)[O-])CCCCC1 ZINC000833685898 605368002 /nfs/dbraw/zinc/36/80/02/605368002.db2.gz KBVIVERKAGEJQZ-UHFFFAOYSA-N -1 0 327.380 3.806 20 0 EHADRM CC(C)C[C@H](NC(=O)N1CC[C@@H](NC(=O)[O-])C[C@@H]1C)c1ccccc1 ZINC000824203710 605370648 /nfs/dbraw/zinc/37/06/48/605370648.db2.gz KXYJDCOPKOWCAK-UAGQMJEPSA-N -1 0 347.459 3.604 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)N[C@@H](c1ccccc1)C(C)(C)C ZINC000825816797 605377574 /nfs/dbraw/zinc/37/75/74/605377574.db2.gz LYAMUOZYHSHSLC-KBMXLJTQSA-N -1 0 347.459 3.604 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Nc2ccnc(Cl)c2)cc1 ZINC000833419210 605400514 /nfs/dbraw/zinc/40/05/14/605400514.db2.gz NUZDGWXOHAFPKQ-UHFFFAOYSA-N -1 0 333.775 3.741 20 0 EHADRM CCC(CC)[C@@H]1C[C@@H](NC(=O)Nc2cc(C(=O)[O-])cs2)CCO1 ZINC000833642025 605401100 /nfs/dbraw/zinc/40/11/00/605401100.db2.gz FDEWPUJOBNKEJM-STQMWFEESA-N -1 0 340.445 3.552 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)Nc2ccc(OCC(=O)[O-])cc2C)cc1 ZINC000192880419 605436607 /nfs/dbraw/zinc/43/66/07/605436607.db2.gz MACVEQDJROEUNL-HNNXBMFYSA-N -1 0 341.407 3.584 20 0 EHADRM O=C([O-])N[C@H]1CC[C@H](OC(=O)CCCc2c[nH]c3ccccc23)CC1 ZINC000832817289 605445584 /nfs/dbraw/zinc/44/55/84/605445584.db2.gz BBQKNOPOIVOCLU-SHTZXODSSA-N -1 0 344.411 3.613 20 0 EHADRM C[C@H](CC(=O)N(C)c1ccc(OCC(=O)[O-])cc1)C1CCCCC1 ZINC000263196005 605454829 /nfs/dbraw/zinc/45/48/29/605454829.db2.gz YCRUFJLCERECQJ-CQSZACIVSA-N -1 0 333.428 3.719 20 0 EHADRM CN(C(=O)c1cc2sccc2s1)c1ccc(OCC(=O)[O-])cc1 ZINC000833685509 605463282 /nfs/dbraw/zinc/46/32/82/605463282.db2.gz BOBOJQNEFIFIQG-UHFFFAOYSA-N -1 0 347.417 3.703 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000833386180 605463331 /nfs/dbraw/zinc/46/33/31/605463331.db2.gz YBAPYDUKHHUKEU-XFXZXTDPSA-N -1 0 330.409 3.511 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)Nc1ccc(Cl)cc1Cl ZINC000825830390 605472030 /nfs/dbraw/zinc/47/20/30/605472030.db2.gz FZICUMSLIJMTJF-SCZZXKLOSA-N -1 0 346.214 3.646 20 0 EHADRM Cc1c(CNc2cccc(C(=O)[O-])c2)sc2nc(C)nc(C)c12 ZINC000833754651 605486395 /nfs/dbraw/zinc/48/63/95/605486395.db2.gz ACXMUIHKTGKXEA-UHFFFAOYSA-N -1 0 327.409 3.927 20 0 EHADRM Cc1ccc(C[C@@H](C)C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000833748803 605505997 /nfs/dbraw/zinc/50/59/97/605505997.db2.gz UDFJXMGZTYUYFN-LLVKDONJSA-N -1 0 333.334 3.789 20 0 EHADRM COc1cc(NC(=O)c2cnc(C(C)C)s2)ccc1NC(=O)[O-] ZINC000829198385 605528386 /nfs/dbraw/zinc/52/83/86/605528386.db2.gz VSYKPFHOUQENRS-UHFFFAOYSA-N -1 0 335.385 3.617 20 0 EHADRM C[C@@H](NC(=O)C[C@H](NC(=O)[O-])c1ccccc1)c1ccc(F)c(F)c1 ZINC000825102439 605567049 /nfs/dbraw/zinc/56/70/49/605567049.db2.gz VNEXSNHEIGLWNZ-BZNIZROVSA-N -1 0 348.349 3.541 20 0 EHADRM O=C([O-])Nc1cccc(-c2noc(-c3scnc3C3CC3)n2)c1 ZINC000834264034 605573851 /nfs/dbraw/zinc/57/38/51/605573851.db2.gz XRQUCSJQKZJSGZ-UHFFFAOYSA-N -1 0 328.353 3.827 20 0 EHADRM COc1cc(C)c(NC(=O)c2ccc(NC(=O)[O-])c(C)c2)cc1OC ZINC000829096289 605574949 /nfs/dbraw/zinc/57/49/49/605574949.db2.gz YOZZJWOWTBQUOD-UHFFFAOYSA-N -1 0 344.367 3.663 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(N3CCCC3)cc2)ccc1NC(=O)[O-] ZINC000829966322 605576056 /nfs/dbraw/zinc/57/60/56/605576056.db2.gz YKIGAYIBAUBALE-UHFFFAOYSA-N -1 0 339.395 3.937 20 0 EHADRM Cc1cc(C(=O)N(C)c2nc3ccccc3s2)ccc1NC(=O)[O-] ZINC000829914243 605588298 /nfs/dbraw/zinc/58/82/98/605588298.db2.gz CLLCUDZVNXTBEZ-UHFFFAOYSA-N -1 0 341.392 3.971 20 0 EHADRM O=C([O-])Nc1ccc(Cc2nc(C(=O)OCCC3CC3)cs2)cc1 ZINC000834259849 605592159 /nfs/dbraw/zinc/59/21/59/605592159.db2.gz ICUFRPHHJQJIFF-UHFFFAOYSA-N -1 0 346.408 3.781 20 0 EHADRM O=C([O-])N(CC(=O)N[C@@H](c1cccs1)C1CC1)c1ccccc1 ZINC000831447099 605604215 /nfs/dbraw/zinc/60/42/15/605604215.db2.gz ZIKRABGJGJOSFF-MRXNPFEDSA-N -1 0 330.409 3.500 20 0 EHADRM O=C([O-])N[C@H](CC(=O)Nc1ccccc1Cc1ccccc1)C1CC1 ZINC000834130608 605612787 /nfs/dbraw/zinc/61/27/87/605612787.db2.gz UKVRSDSUNZINMQ-GOSISDBHSA-N -1 0 338.407 3.652 20 0 EHADRM Cc1cc(C(=O)Nc2ccc3ncsc3c2)ccc1NC(=O)[O-] ZINC000829966088 605618006 /nfs/dbraw/zinc/61/80/06/605618006.db2.gz RZXDTYLQFPUVMU-UHFFFAOYSA-N -1 0 327.365 3.947 20 0 EHADRM CC[C@@H](C)[C@H](C)C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000833639008 605618122 /nfs/dbraw/zinc/61/81/22/605618122.db2.gz QDAGXAUMKYIZCC-SFYZADRCSA-N -1 0 346.196 3.907 20 0 EHADRM O=C([O-])N[C@@H](CC(=O)Nc1cccc2cnccc21)c1ccccc1 ZINC000834131961 605629822 /nfs/dbraw/zinc/62/98/22/605629822.db2.gz YHWNLRIGZNMMRC-KRWDZBQOSA-N -1 0 335.363 3.572 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N(Cc2ccco2)C2CCCC2)c(O)c1 ZINC000834255270 605643230 /nfs/dbraw/zinc/64/32/30/605643230.db2.gz DIHHSIQJPGGPHI-UHFFFAOYSA-N -1 0 344.367 3.660 20 0 EHADRM C[C@H](CCC(=O)N1CCC(CCN(C)C(=O)[O-])CC1)c1ccccc1 ZINC000833802191 605646039 /nfs/dbraw/zinc/64/60/39/605646039.db2.gz BJABNNJRUFIDIF-MRXNPFEDSA-N -1 0 346.471 3.809 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2nc(-c3cccs3)ns2)c1 ZINC000834265465 605671168 /nfs/dbraw/zinc/67/11/68/605671168.db2.gz WDVXLJFWWDSANW-UHFFFAOYSA-N -1 0 346.393 3.609 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2ccc3cccc(Cl)c3n2)CC1 ZINC000833771991 605679273 /nfs/dbraw/zinc/67/92/73/605679273.db2.gz BDKBANKYMLHUTR-UHFFFAOYSA-N -1 0 332.787 3.718 20 0 EHADRM O=C([O-])N1CCC[C@@H](Nc2cccc(NC(=O)c3cccs3)c2)C1 ZINC000834053990 605692789 /nfs/dbraw/zinc/69/27/89/605692789.db2.gz OVHORCSYUPVCBD-CQSZACIVSA-N -1 0 345.424 3.555 20 0 EHADRM Cc1cc(C(=O)N[C@H]2C[C@H]2c2c(F)cccc2F)ccc1NC(=O)[O-] ZINC000829939704 605693128 /nfs/dbraw/zinc/69/31/28/605693128.db2.gz GTBUCGADJUBLPX-ABAIWWIYSA-N -1 0 346.333 3.649 20 0 EHADRM Cc1ccc2c(c1)N(C(=O)c1ccc(NC(=O)[O-])c(C)c1)C[C@@H](C)O2 ZINC000830446275 605706200 /nfs/dbraw/zinc/70/62/00/605706200.db2.gz NNVLVIYVDWUSOQ-CYBMUJFWSA-N -1 0 340.379 3.821 20 0 EHADRM Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000830446802 605708355 /nfs/dbraw/zinc/70/83/55/605708355.db2.gz WHJYVHHWSUEKHL-ZDUSSCGKSA-N -1 0 340.379 3.821 20 0 EHADRM COCCC[C@H](C)C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833724721 605714316 /nfs/dbraw/zinc/71/43/16/605714316.db2.gz JBNXOVXLICXCHE-ZANVPECISA-N -1 0 349.210 3.725 20 0 EHADRM O=C([O-])Nc1cc2ccccc2cc1C(=O)Nc1ccc(CO)cc1 ZINC000834257671 605753773 /nfs/dbraw/zinc/75/37/73/605753773.db2.gz XWVRVKBWFCBJSV-UHFFFAOYSA-N -1 0 336.347 3.674 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N2CCC[C@H]2Cc2ccccc2)c1 ZINC000834265052 605756930 /nfs/dbraw/zinc/75/69/30/605756930.db2.gz KWDQXJYKRFOECQ-SFHVURJKSA-N -1 0 338.407 3.553 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000834266170 605757580 /nfs/dbraw/zinc/75/75/80/605757580.db2.gz WHZRLAYXYRWOKI-QGZVFWFLSA-N -1 0 342.370 3.822 20 0 EHADRM C[C@@H](SCc1cc(C(=O)[O-])ccc1Cl)C(=O)NC(C)(C)C ZINC000833542385 605788149 /nfs/dbraw/zinc/78/81/49/605788149.db2.gz HTAQLWBPFMOUJJ-SECBINFHSA-N -1 0 329.849 3.575 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)CCc2ccccc2Cl)c(F)c1 ZINC000833776700 605796732 /nfs/dbraw/zinc/79/67/32/605796732.db2.gz OPXNIJQBZHCWAP-UHFFFAOYSA-N -1 0 336.746 3.644 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)CCc2cccc(Cl)c2)c(F)c1 ZINC000833776762 605798931 /nfs/dbraw/zinc/79/89/31/605798931.db2.gz QLKCHBSOOBZPNW-UHFFFAOYSA-N -1 0 336.746 3.644 20 0 EHADRM C[C@@H](Oc1ccccc1)C(=O)OCc1cc(C(=O)[O-])ccc1Cl ZINC000833542080 605809325 /nfs/dbraw/zinc/80/93/25/605809325.db2.gz YYMALFRUFDNIDZ-LLVKDONJSA-N -1 0 334.755 3.549 20 0 EHADRM O=C([O-])NCCCCC(=O)Nc1ccccc1SC(F)(F)F ZINC000834234425 605895458 /nfs/dbraw/zinc/89/54/58/605895458.db2.gz FQTUUJRROCCABP-UHFFFAOYSA-N -1 0 336.335 3.675 20 0 EHADRM O=C([O-])NCCCCC(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000834235148 605902329 /nfs/dbraw/zinc/90/23/29/605902329.db2.gz OLYBKQQKVUDJMH-UHFFFAOYSA-N -1 0 327.384 3.807 20 0 EHADRM O=C([O-])NCCCCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000834235127 605917246 /nfs/dbraw/zinc/91/72/46/605917246.db2.gz ODNIEXSGEZJHEJ-UHFFFAOYSA-N -1 0 328.368 3.855 20 0 EHADRM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2Cc1coc(-c2cccs2)n1 ZINC000832239473 605939176 /nfs/dbraw/zinc/93/91/76/605939176.db2.gz IRVRHJNFUFDNHW-QXMXGUDHSA-N -1 0 347.440 3.556 20 0 EHADRM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2Cc1ncc(-c2cccs2)o1 ZINC000832239320 605941198 /nfs/dbraw/zinc/94/11/98/605941198.db2.gz CQFOCRGZJJRQOY-YHWZYXNKSA-N -1 0 347.440 3.556 20 0 EHADRM Cc1nc(NC(=O)[O-])sc1C(=O)N(C)CCCCc1ccccc1 ZINC000833913517 605943009 /nfs/dbraw/zinc/94/30/09/605943009.db2.gz FXIVLYXXOZOYLK-UHFFFAOYSA-N -1 0 347.440 3.636 20 0 EHADRM O=C([O-])N[C@@H](CC(F)F)c1nc(C23CC4CC(CC(C4)C2)C3)no1 ZINC000834136049 606009576 /nfs/dbraw/zinc/00/95/76/606009576.db2.gz BSVPDIKBYYKTGG-UBYAAWQSSA-N -1 0 341.358 3.501 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)[C@@H](CC(F)F)NC(=O)[O-])c1ccccc1 ZINC000833789573 606012496 /nfs/dbraw/zinc/01/24/96/606012496.db2.gz LWSYBDYFGSHOPI-OLZOCXBDSA-N -1 0 342.386 3.572 20 0 EHADRM Cc1nscc1C(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000833937866 606023071 /nfs/dbraw/zinc/02/30/71/606023071.db2.gz YLOKOUGWWNFGHW-UHFFFAOYSA-N -1 0 345.302 3.813 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)Nc1cccc(-c2cnco2)c1 ZINC000834274822 606050579 /nfs/dbraw/zinc/05/05/79/606050579.db2.gz XWIODMVJEPDUJN-UHFFFAOYSA-N -1 0 337.335 3.613 20 0 EHADRM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)CC(C)(C)NC(=O)[O-] ZINC000833912558 606081766 /nfs/dbraw/zinc/08/17/66/606081766.db2.gz LQERKUJYUKVMNO-NSHDSACASA-N -1 0 341.477 3.531 20 0 EHADRM CC1(C)CCC[C@@H](C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000824801086 607920442 /nfs/dbraw/zinc/92/04/42/607920442.db2.gz AHRLBMJSFZUUPV-SNVBAGLBSA-N -1 0 345.472 3.572 20 0 EHADRM C/C(=C/C(=O)NC1(C(=O)[O-])CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000236637174 939043884 /nfs/dbraw/zinc/04/38/84/939043884.db2.gz XNNFWUBKFZEBAV-KHPPLWFESA-N -1 0 341.329 3.622 20 0 EHADRM CC1CCC(NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)(C(=O)[O-])CC1 ZINC000236806783 939044993 /nfs/dbraw/zinc/04/49/93/939044993.db2.gz YFZPGXADDWUTTB-VBWZSSIBSA-N -1 0 335.831 3.593 20 0 EHADRM CC1CCC(NC(=O)c2cnc(-c3ccccc3)s2)(C(=O)[O-])CC1 ZINC000236821613 939045229 /nfs/dbraw/zinc/04/52/29/939045229.db2.gz XULUSDQQMAKDCX-UHFFFAOYSA-N -1 0 344.436 3.573 20 0 EHADRM Cc1cc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)ccc1F ZINC000684746077 939047907 /nfs/dbraw/zinc/04/79/07/939047907.db2.gz SBWFSRSDXIOVBO-OAHLLOKOSA-N -1 0 334.322 3.529 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(C2CCC2)cc1)c1ccccc1F ZINC000685019896 939052462 /nfs/dbraw/zinc/05/24/62/939052462.db2.gz HBTZISDWZNDUQE-KRWDZBQOSA-N -1 0 327.355 3.649 20 0 EHADRM O=C([O-])C1(NC(=O)c2cc(-c3cccc(Cl)c3)on2)CCCCC1 ZINC000237966885 939052493 /nfs/dbraw/zinc/05/24/93/939052493.db2.gz VSTPRMGKOGLNJJ-UHFFFAOYSA-N -1 0 348.786 3.512 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc(OC2CCCC2)cc1)c1ccccc1 ZINC000238033020 939055880 /nfs/dbraw/zinc/05/58/80/939055880.db2.gz SSUZRLMPNQGVQB-GOSISDBHSA-N -1 0 339.391 3.564 20 0 EHADRM Cc1cc(C)cc([C@@H](NC(=O)Cc2ccc(Cl)s2)C(=O)[O-])c1 ZINC000263050805 939095885 /nfs/dbraw/zinc/09/58/85/939095885.db2.gz NXGLBJBVUYOYOG-OAHLLOKOSA-N -1 0 337.828 3.503 20 0 EHADRM O=C([O-])C1(NC(=O)CCCc2cccc(C(F)(F)F)c2)CCCC1 ZINC000263198660 939108984 /nfs/dbraw/zinc/10/89/84/939108984.db2.gz UTIGXWYNTRKFOL-UHFFFAOYSA-N -1 0 343.345 3.542 20 0 EHADRM CCc1occc1C(=O)N[C@@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000263519417 939114168 /nfs/dbraw/zinc/11/41/68/939114168.db2.gz GLCVYMNERIGYHH-QGZVFWFLSA-N -1 0 335.787 3.615 20 0 EHADRM CCC1CCC(NC(=O)Nc2ccc(F)c(F)c2)(C(=O)[O-])CC1 ZINC000320926327 939124082 /nfs/dbraw/zinc/12/40/82/939124082.db2.gz CDQCWWSAZUHJSZ-UHFFFAOYSA-N -1 0 326.343 3.510 20 0 EHADRM Cc1cc([C@H](C)NC(=O)N[C@H](C(=O)[O-])C2CCCCC2)c(C)s1 ZINC000320829982 939124092 /nfs/dbraw/zinc/12/40/92/939124092.db2.gz NJVYXIYZSCKDCA-NHYWBVRUSA-N -1 0 338.473 3.759 20 0 EHADRM O=C([O-])[C@H](NC(=O)C1CCC(C(F)(F)F)CC1)C1CCCCC1 ZINC000321936801 939124139 /nfs/dbraw/zinc/12/41/39/939124139.db2.gz TWSJRAHYXDKKJA-WXRRBKDZSA-N -1 0 335.366 3.505 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)N[C@H](C(=O)[O-])c2cccs2)cc1 ZINC000322440817 939124681 /nfs/dbraw/zinc/12/46/81/939124681.db2.gz RTNAFJNLNITUFL-AWEZNQCLSA-N -1 0 332.425 3.993 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2cc(F)ccc2s1)c1ccccc1 ZINC000322751000 939125122 /nfs/dbraw/zinc/12/51/22/939125122.db2.gz DEPMBNPGOLUPAU-HNNXBMFYSA-N -1 0 329.352 3.596 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1cccc(C(F)(F)F)c1)c1cccs1 ZINC000322454644 939125148 /nfs/dbraw/zinc/12/51/48/939125148.db2.gz VSYGKHWHUBKEEO-NSHDSACASA-N -1 0 344.314 3.714 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1 ZINC000325131375 939126287 /nfs/dbraw/zinc/12/62/87/939126287.db2.gz LGQWIXDCKHSSAT-CYBMUJFWSA-N -1 0 338.285 3.653 20 0 EHADRM CC(C)Oc1ccc(NC(=O)NC2(C(=O)[O-])CCCCCC2)cc1 ZINC000324699661 939126292 /nfs/dbraw/zinc/12/62/92/939126292.db2.gz XOWQXJYDOWTJIB-UHFFFAOYSA-N -1 0 334.416 3.773 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2c(s1)CCCCC2)c1cccs1 ZINC000336855414 939127842 /nfs/dbraw/zinc/12/78/42/939127842.db2.gz WMMRHXKSNXTLKO-AWEZNQCLSA-N -1 0 335.450 3.634 20 0 EHADRM O=C([O-])[C@H](NC(=O)CCC1CCCC1)c1ccc(OC(F)F)cc1 ZINC000345975607 939128366 /nfs/dbraw/zinc/12/83/66/939128366.db2.gz AFKHWZQAPWHYRS-OAHLLOKOSA-N -1 0 341.354 3.500 20 0 EHADRM CC1CCC(NC(=O)CCc2cc3ccccc3o2)(C(=O)[O-])CC1 ZINC000345993975 939128480 /nfs/dbraw/zinc/12/84/80/939128480.db2.gz LMLZPXPQAOJOKC-UHFFFAOYSA-N -1 0 329.396 3.515 20 0 EHADRM CC(C)c1ccc(-c2nc(C(=O)N[C@@H](C(=O)[O-])C3CC3)cs2)cc1 ZINC000347398723 939128972 /nfs/dbraw/zinc/12/89/72/939128972.db2.gz VPYFOCPDNKGSEQ-OAHLLOKOSA-N -1 0 344.436 3.527 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1ccccc1C(F)(F)F)C1CCCCC1 ZINC000392053815 939136736 /nfs/dbraw/zinc/13/67/36/939136736.db2.gz WPYNBQBLOKMRQS-ZDUSSCGKSA-N -1 0 344.333 3.860 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1cccc(Cl)c1)c1cc(F)ccc1F ZINC000788315624 939148339 /nfs/dbraw/zinc/14/83/39/939148339.db2.gz YACNNDPLFROEDG-CYBMUJFWSA-N -1 0 340.713 3.566 20 0 EHADRM CCCCSCC(=O)N[C@@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000795540125 939156695 /nfs/dbraw/zinc/15/66/95/939156695.db2.gz PQMCCAXRWVAANQ-MRXNPFEDSA-N -1 0 343.876 3.679 20 0 EHADRM Cc1cccc([C@@H](NC(=O)NC[C@H](C)c2ccccc2)C(=O)[O-])c1C ZINC000797703417 939159698 /nfs/dbraw/zinc/15/96/98/939159698.db2.gz DJWQRQYWHCLFRQ-KBXCAEBGSA-N -1 0 340.423 3.532 20 0 EHADRM C[C@](NC(=O)NCc1ccc2ccccc2c1)(C(=O)[O-])c1ccccc1 ZINC000797707957 939165643 /nfs/dbraw/zinc/16/56/43/939165643.db2.gz YAQGYFLUMZFDNF-OAQYLSRUSA-N -1 0 348.402 3.639 20 0 EHADRM CC[C@](NC(=O)CCc1ccccc1Cl)(C(=O)[O-])c1ccccc1 ZINC000485358004 939225671 /nfs/dbraw/zinc/22/56/71/939225671.db2.gz MUGFGYZHVXYXHX-LJQANCHMSA-N -1 0 345.826 3.779 20 0 EHADRM CC[C@@](NC(=O)c1cc(C)ccc1F)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507310114 939233475 /nfs/dbraw/zinc/23/34/75/939233475.db2.gz SCDLYHOMYARODH-SFHVURJKSA-N -1 0 349.789 3.907 20 0 EHADRM CC[C@@](NC(=O)N[C@H](C)c1ccc(C)cc1)(C(=O)[O-])c1ccccc1 ZINC000517212619 939247640 /nfs/dbraw/zinc/24/76/40/939247640.db2.gz RHEOBMAECGQKLO-QRWLVFNGSA-N -1 0 340.423 3.745 20 0 EHADRM Cc1cccc([C@@H](NC(=O)Nc2ccc3[nH]ccc3c2)C(=O)[O-])c1C ZINC000520951804 939255622 /nfs/dbraw/zinc/25/56/22/939255622.db2.gz WELJTADZHSGYKA-QGZVFWFLSA-N -1 0 337.379 3.732 20 0 EHADRM O=C([O-])[C@H](NC(=O)C1CCCCCC1)c1ccc(Cl)c(F)c1 ZINC000537362193 939264673 /nfs/dbraw/zinc/26/46/73/939264673.db2.gz FAFAGPNPDRPOGS-CQSZACIVSA-N -1 0 327.783 3.691 20 0 EHADRM Cc1ccc(CC(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1C ZINC000538467766 939273183 /nfs/dbraw/zinc/27/31/83/939273183.db2.gz MPUKKARQRCKWQJ-QGZVFWFLSA-N -1 0 349.789 3.581 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)Nc2ccc(C(F)F)cc2)(C(=O)[O-])CC1 ZINC000908638824 939303838 /nfs/dbraw/zinc/30/38/38/939303838.db2.gz XUMDNENBNSNMDU-HZRBXJLLSA-N -1 0 326.343 3.779 20 0 EHADRM CCN(C(=O)NC1(C(=O)[O-])CCC(c2ccccc2)CC1)C(C)C ZINC000558588860 939311516 /nfs/dbraw/zinc/31/15/16/939311516.db2.gz LMWOXBLPOGWEBE-UHFFFAOYSA-N -1 0 332.444 3.608 20 0 EHADRM Cc1ccc([C@@H](NC(=O)Nc2ccc(F)c(F)c2)C(=O)[O-])cc1C ZINC000559425425 939312528 /nfs/dbraw/zinc/31/25/28/939312528.db2.gz ZLQOWXPUPFEWLZ-OAHLLOKOSA-N -1 0 334.322 3.529 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)N[C@H](C(=O)[O-])c1cccc(C)c1C ZINC000562620696 939335546 /nfs/dbraw/zinc/33/55/46/939335546.db2.gz LPUZLRWHSYZOBR-AWEZNQCLSA-N -1 0 346.452 3.747 20 0 EHADRM Cc1cc([C@H](NC(=O)CCCc2ccc(F)cc2)C(=O)[O-])ccc1F ZINC000566484247 939354493 /nfs/dbraw/zinc/35/44/93/939354493.db2.gz QXMCYUOABVLFRM-SFHVURJKSA-N -1 0 347.361 3.538 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccoc1C1CC1)c1ccc(Cl)c(F)c1 ZINC000567971207 939364603 /nfs/dbraw/zinc/36/46/03/939364603.db2.gz ZRVLBLCBXPHOGV-ZDUSSCGKSA-N -1 0 337.734 3.505 20 0 EHADRM CC1(CNC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CCC1 ZINC000570268604 939382540 /nfs/dbraw/zinc/38/25/40/939382540.db2.gz DGXFLBBJKGUFSZ-LBPRGKRZSA-N -1 0 345.226 3.609 20 0 EHADRM O=C(C=C1CCSCC1)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000909527838 939401850 /nfs/dbraw/zinc/40/18/50/939401850.db2.gz JWGRBZDNXJZHHL-GOSISDBHSA-N -1 0 341.432 3.535 20 0 EHADRM Cc1ccc([C@@H](NC(=O)Nc2cccc(Cl)c2)C(=O)[O-])cc1C ZINC000576808866 939741941 /nfs/dbraw/zinc/74/19/41/939741941.db2.gz UIDSKWCFCRHEKT-OAHLLOKOSA-N -1 0 332.787 3.904 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000576814608 939742568 /nfs/dbraw/zinc/74/25/68/939742568.db2.gz CLHOSHXMEYZWOD-ZSJJWGNYSA-N -1 0 342.222 3.672 20 0 EHADRM CC[C@@H](NC(=O)NC1(C(=O)[O-])CCCCC1)c1ccc(F)cc1F ZINC000577670659 939747905 /nfs/dbraw/zinc/74/79/05/939747905.db2.gz CNQAHVAQASOYBE-CQSZACIVSA-N -1 0 340.370 3.503 20 0 EHADRM CC[C@@](NC(=O)Nc1ccc2c(c1)CCC2)(C(=O)[O-])c1ccccc1 ZINC000577817176 939749596 /nfs/dbraw/zinc/74/95/96/939749596.db2.gz XQMQJSRDNZKXOB-FQEVSTJZSA-N -1 0 338.407 3.687 20 0 EHADRM CC[C@H](NC(=O)N[C@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000578542373 939754991 /nfs/dbraw/zinc/75/49/91/939754991.db2.gz YKAAVWZKSVUDLD-HOTGVXAUSA-N -1 0 348.349 3.541 20 0 EHADRM CC[C@](NC(=O)Nc1cc(C)cc(F)c1)(C(=O)[O-])c1ccccc1 ZINC000581109933 939776238 /nfs/dbraw/zinc/77/62/38/939776238.db2.gz VWGKVNWDOXJXEZ-GOSISDBHSA-N -1 0 330.359 3.646 20 0 EHADRM C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)NC3(C(=O)[O-])CC3)c2)C1 ZINC000584072338 939795197 /nfs/dbraw/zinc/79/51/97/939795197.db2.gz PUIVWESEAOIXIP-CJNGLKHVSA-N -1 0 346.427 3.521 20 0 EHADRM C[C@H](NC(=O)[C@@H](C(=O)[O-])C1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000663077226 939852838 /nfs/dbraw/zinc/85/28/38/939852838.db2.gz IWQQSYRZRLENNT-HZMBPMFUSA-N -1 0 343.345 3.774 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1)C1CC1 ZINC000656849531 939847367 /nfs/dbraw/zinc/84/73/67/939847367.db2.gz LKPRCVZBCJRZSD-HNNXBMFYSA-N -1 0 337.803 3.711 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)N[C@H](C(=O)[O-])c1ccsc1 ZINC000659161916 939848490 /nfs/dbraw/zinc/84/84/90/939848490.db2.gz LYTBQFTUBGLNCC-CJNGLKHVSA-N -1 0 331.437 3.567 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@@H](C(=O)[O-])C3CCCC3)c2)oc1C ZINC000663033851 939850632 /nfs/dbraw/zinc/85/06/32/939850632.db2.gz QRVZHTVSPTZGGU-INIZCTEOSA-N -1 0 342.395 3.788 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1F)C1CCCC1 ZINC000663034231 939850740 /nfs/dbraw/zinc/85/07/40/939850740.db2.gz PDGZLLJEHWARLK-LBPRGKRZSA-N -1 0 333.281 3.674 20 0 EHADRM CC(C)c1ccccc1NC(=O)N[C@]1(C(=O)[O-])CCc2ccccc21 ZINC000683921020 939871144 /nfs/dbraw/zinc/87/11/44/939871144.db2.gz LLPGLEFXHIJNGC-HXUWFJFHSA-N -1 0 338.407 3.858 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)N[C@H](C(=O)[O-])c2cccc(C)c2C)cc1 ZINC000684717933 939871948 /nfs/dbraw/zinc/87/19/48/939871948.db2.gz KBBHUMWNNQSWCX-YJBOKZPZSA-N -1 0 340.423 3.798 20 0 EHADRM CC[C@@H](NC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1)C(C)C ZINC000684724593 939872881 /nfs/dbraw/zinc/87/28/81/939872881.db2.gz HFGGAGAEDBFBGU-IAGOWNOFSA-N -1 0 328.412 3.699 20 0 EHADRM Cc1cc(C(F)(F)F)cc(C)c1NC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001600142991 970770658 /nfs/dbraw/zinc/77/06/58/970770658.db2.gz PJTIOXRQUJEMRM-NSHDSACASA-N -1 0 344.333 3.651 20 0 EHADRM COc1cc(Cl)c(C)cc1NC(=O)NC1(CC(=O)[O-])CCCC1 ZINC000321586734 970786117 /nfs/dbraw/zinc/78/61/17/970786117.db2.gz JKXZAHPKDYBBEU-UHFFFAOYSA-N -1 0 340.807 3.566 20 0 EHADRM Cc1cc2occ(CC(=O)NCc3ccccc3C(=O)[O-])c2cc1C ZINC001600311333 970796815 /nfs/dbraw/zinc/79/68/15/970796815.db2.gz LUPDQKMVNHAMHD-UHFFFAOYSA-N -1 0 337.375 3.607 20 0 EHADRM Cc1ccccc1SCC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000321794502 970808456 /nfs/dbraw/zinc/80/84/56/970808456.db2.gz VTGATLCMDMOICH-UHFFFAOYSA-N -1 0 337.347 3.702 20 0 EHADRM Cc1cccc(Cl)c1NC(=O)NCc1ccccc1CC(=O)[O-] ZINC000321835965 970813930 /nfs/dbraw/zinc/81/39/30/970813930.db2.gz QZFOXVSSFIBJIH-UHFFFAOYSA-N -1 0 332.787 3.597 20 0 EHADRM C[C@@H](NC(=O)CC1(CC(=O)[O-])CCCC1)c1c(F)cccc1F ZINC000322006655 970836545 /nfs/dbraw/zinc/83/65/45/970836545.db2.gz RNUSFEQLKQFRQZ-LLVKDONJSA-N -1 0 325.355 3.567 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000322060339 970841887 /nfs/dbraw/zinc/84/18/87/970841887.db2.gz CNFTUBFLFJWAQV-ZDUSSCGKSA-N -1 0 337.847 3.812 20 0 EHADRM COc1ccc(NC(=O)c2cc3ccccc3s2)c(C(=O)[O-])c1 ZINC000322240293 970862398 /nfs/dbraw/zinc/86/23/98/970862398.db2.gz LAVVEIATISIBNE-UHFFFAOYSA-N -1 0 327.361 3.860 20 0 EHADRM CSc1ccccc1C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000322397319 970882680 /nfs/dbraw/zinc/88/26/80/970882680.db2.gz SPOIFGXGFCPFEW-CYBMUJFWSA-N -1 0 327.405 3.627 20 0 EHADRM O=C([O-])C1CCC(NC(=O)C[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001601249053 970966460 /nfs/dbraw/zinc/96/64/60/970966460.db2.gz FASNHWAHSZMTSU-IGJPJIBNSA-N -1 0 335.366 3.505 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)CCSc2cccc(Cl)c2)C1 ZINC001611401888 971030039 /nfs/dbraw/zinc/03/00/39/971030039.db2.gz SJINKJJWGSFZFT-LBPRGKRZSA-N -1 0 341.860 3.536 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3)c[nH]2)C1 ZINC001611407801 971033419 /nfs/dbraw/zinc/03/34/19/971033419.db2.gz XTWKGDRAKWYOEI-GFCCVEGCSA-N -1 0 346.814 3.662 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)CCCC2CCCCC2)c2ccccc2O1 ZINC000323868941 971049343 /nfs/dbraw/zinc/04/93/43/971049343.db2.gz IELNZLLQYIZPQA-KRWDZBQOSA-N -1 0 331.412 3.616 20 0 EHADRM COc1cc(Cl)ccc1-c1noc([C@H]2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000323929632 971060933 /nfs/dbraw/zinc/06/09/33/971060933.db2.gz POEFUWBNDYDESJ-VHSXEESVSA-N -1 0 336.775 3.757 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](c2nc(Cc3cccc(Cl)c3F)no2)C1 ZINC000323982584 971070683 /nfs/dbraw/zinc/07/06/83/971070683.db2.gz YRWUYSUVKRMPCK-MNOVXSKESA-N -1 0 338.766 3.811 20 0 EHADRM Cc1c(C(=O)[O-])cc(CNc2ccccc2OC(F)(F)F)n1C ZINC000324180048 971094177 /nfs/dbraw/zinc/09/41/77/971094177.db2.gz SCMGGDVRZGTXBP-UHFFFAOYSA-N -1 0 328.290 3.542 20 0 EHADRM C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)[C@H](C)C1 ZINC000324273919 971104795 /nfs/dbraw/zinc/10/47/95/971104795.db2.gz OKGSIZXYNVZDST-FXPVBKGRSA-N -1 0 326.343 3.609 20 0 EHADRM Cc1ccc(C)c(CC(=O)N(CCC(=O)[O-])c2ccccc2C)c1 ZINC000324337473 971109540 /nfs/dbraw/zinc/10/95/40/971109540.db2.gz LSPGWUVBUWXKOB-UHFFFAOYSA-N -1 0 325.408 3.662 20 0 EHADRM O=C([O-])[C@H]1Cc2ccccc2N(C(=O)c2cc3sccc3s2)C1 ZINC000324434598 971120525 /nfs/dbraw/zinc/12/05/25/971120525.db2.gz VPWNAKWOBXPHID-NSHDSACASA-N -1 0 343.429 3.867 20 0 EHADRM Cc1ccccc1N(CCC(=O)[O-])C(=O)Cc1c(F)cccc1Cl ZINC000324484549 971124973 /nfs/dbraw/zinc/12/49/73/971124973.db2.gz NBVSETOXWDZCOC-UHFFFAOYSA-N -1 0 349.789 3.838 20 0 EHADRM Cc1ccccc1CCC(=O)N(CCC(=O)[O-])c1ccccc1C ZINC000324558192 971132791 /nfs/dbraw/zinc/13/27/91/971132791.db2.gz XQHMLBNQHXIQGT-UHFFFAOYSA-N -1 0 325.408 3.744 20 0 EHADRM O=C([O-])c1ccc(OCc2nc(-c3ccc(F)cc3)no2)c(Cl)c1 ZINC000324696380 971148544 /nfs/dbraw/zinc/14/85/44/971148544.db2.gz ODQIPMALBGIGEI-UHFFFAOYSA-N -1 0 348.717 3.806 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1cc(Cl)c2ccccc2n1 ZINC000324731392 971152602 /nfs/dbraw/zinc/15/26/02/971152602.db2.gz IHQQJALSHXGPDR-UHFFFAOYSA-N -1 0 340.766 3.768 20 0 EHADRM Cc1cn(CC(=O)Nc2cc(C(=O)[O-])ccc2Cl)c2ccccc12 ZINC000324912914 971168859 /nfs/dbraw/zinc/16/88/59/971168859.db2.gz XVXHHDHLXQTKTC-UHFFFAOYSA-N -1 0 342.782 3.940 20 0 EHADRM Cc1cc([C@H](C)NC(=O)NCCc2ccccc2C(=O)[O-])c(C)s1 ZINC000324916070 971168945 /nfs/dbraw/zinc/16/89/45/971168945.db2.gz KJORENSQJITAAV-LBPRGKRZSA-N -1 0 346.452 3.666 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)CCc2ccccc2Cl)c2ccccc21 ZINC000325431129 971215023 /nfs/dbraw/zinc/21/50/23/971215023.db2.gz RIEFOYAYJGVRCH-HNNXBMFYSA-N -1 0 343.810 3.878 20 0 EHADRM COc1ccc(NC(=O)c2oc3ccccc3c2C)c(C(=O)[O-])c1 ZINC000325449570 971216646 /nfs/dbraw/zinc/21/66/46/971216646.db2.gz XBFVRYXKMQXFOW-UHFFFAOYSA-N -1 0 325.320 3.700 20 0 EHADRM O=C([O-])[C@H]1CCN(Cc2cn3cc(Cl)ccc3n2)c2ccccc21 ZINC000325533848 971223988 /nfs/dbraw/zinc/22/39/88/971223988.db2.gz RYTZQJUKEBSQRC-HNNXBMFYSA-N -1 0 341.798 3.566 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)O[C@@H]2CCc3c2cccc3OCC2CC2)C1 ZINC001602611041 971224234 /nfs/dbraw/zinc/22/42/34/971224234.db2.gz XTFBQNVKOOASLU-QWQRMKEZSA-N -1 0 344.407 3.507 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)C2(c3ccccc3)CCC2)cc1F ZINC000325587686 971229772 /nfs/dbraw/zinc/22/97/72/971229772.db2.gz NKNDCEJGQXQIGC-UHFFFAOYSA-N -1 0 331.318 3.723 20 0 EHADRM Cc1sc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C(=O)[O-])c1C ZINC000325980376 971259636 /nfs/dbraw/zinc/25/96/36/971259636.db2.gz HZZDOXLUVRMRHT-VIFPVBQESA-N -1 0 348.380 3.714 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OCc1ccc(C#N)cc1Cl ZINC000326075496 971264526 /nfs/dbraw/zinc/26/45/26/971264526.db2.gz WUCCNEJBTCHXGT-QPJJXVBHSA-N -1 0 343.766 3.897 20 0 EHADRM CCC(CC)(C(=O)[O-])c1csc(Cc2ccc(OC)c(OC)c2)n1 ZINC000326295259 971281514 /nfs/dbraw/zinc/28/15/14/971281514.db2.gz HISBSCDEXPHZQT-UHFFFAOYSA-N -1 0 349.452 3.894 20 0 EHADRM Cc1c(C(=O)[O-])cc(CNc2ccc(N3CCCC3)cc2C)n1C ZINC000326449034 971293758 /nfs/dbraw/zinc/29/37/58/971293758.db2.gz YJODJZNAMBAANS-UHFFFAOYSA-N -1 0 327.428 3.552 20 0 EHADRM Cc1cc(Cl)ccc1NC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000326506974 971299348 /nfs/dbraw/zinc/29/93/48/971299348.db2.gz MGDJROJMUWUODX-UHFFFAOYSA-N -1 0 344.798 3.937 20 0 EHADRM COc1cc(NC(=O)N[C@H](C)Cc2ccc(C)s2)ccc1C(=O)[O-] ZINC000326804603 971329136 /nfs/dbraw/zinc/32/91/36/971329136.db2.gz DJMJRRRBPLPYPQ-SNVBAGLBSA-N -1 0 348.424 3.516 20 0 EHADRM CC[C@H](NC(=O)N1CCc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000327184856 971375308 /nfs/dbraw/zinc/37/53/08/971375308.db2.gz ZUAKNFYDCMXJJS-SFHVURJKSA-N -1 0 338.407 3.604 20 0 EHADRM Cc1ccc2c(CC(=O)Nc3cc(C(=O)[O-])c(F)cc3F)coc2c1 ZINC000327350749 971390736 /nfs/dbraw/zinc/39/07/36/971390736.db2.gz DYIILXZLLIFFHX-UHFFFAOYSA-N -1 0 345.301 3.899 20 0 EHADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000327417915 971397957 /nfs/dbraw/zinc/39/79/57/971397957.db2.gz ICNOSJYNAWKJIG-BLLLJJGKSA-N -1 0 336.391 3.585 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)Cc2ccc3c(c2)CCCC3)c1 ZINC000327494187 971403118 /nfs/dbraw/zinc/40/31/18/971403118.db2.gz MCBIQPWMHOAYRD-UHFFFAOYSA-N -1 0 337.419 3.764 20 0 EHADRM CC(C)COc1cccc(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])c1 ZINC000327819149 971426559 /nfs/dbraw/zinc/42/65/59/971426559.db2.gz MHYPEOAEMNRRMX-GOSISDBHSA-N -1 0 347.455 3.875 20 0 EHADRM CCOc1ccc(C(=O)Nc2ccc(CC)cc2C(=O)[O-])cc1OC ZINC000327725062 971421734 /nfs/dbraw/zinc/42/17/34/971421734.db2.gz UIUAPRFZNNDSRX-UHFFFAOYSA-N -1 0 343.379 3.607 20 0 EHADRM Cc1c2ccccc2oc1C(=O)N1C[C@@H](C(=O)[O-])Cc2ccccc21 ZINC000327789018 971425341 /nfs/dbraw/zinc/42/53/41/971425341.db2.gz FWXMVVAXPPWFJY-AWEZNQCLSA-N -1 0 335.359 3.645 20 0 EHADRM C[C@H](CCc1ccccc1)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000327872357 971430951 /nfs/dbraw/zinc/43/09/51/971430951.db2.gz XGZGRDLZDULDLX-LLVKDONJSA-N -1 0 348.349 3.806 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)ccc2[nH]1 ZINC000328096432 971446502 /nfs/dbraw/zinc/44/65/02/971446502.db2.gz ZWMKFDRIEYHANK-RYUDHWBXSA-N -1 0 343.427 3.690 20 0 EHADRM COc1ccccc1-c1nnc(SCc2cccc(C(=O)[O-])c2)o1 ZINC000013062086 948776384 /nfs/dbraw/zinc/77/63/84/948776384.db2.gz VURRPHVGJLDRRU-UHFFFAOYSA-N -1 0 342.376 3.736 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1C(=O)CSc1cc(Cl)ccc1Cl ZINC000036966344 948821728 /nfs/dbraw/zinc/82/17/28/948821728.db2.gz HZPWVFALPBVCTL-NSHDSACASA-N -1 0 348.251 3.551 20 0 EHADRM CC(C)(CCNC(=O)Nc1cc(Cl)c(F)c(Cl)c1)C(=O)[O-] ZINC000336847443 971514823 /nfs/dbraw/zinc/51/48/23/971514823.db2.gz WGHXVCISGVACHV-UHFFFAOYSA-N -1 0 337.178 3.755 20 0 EHADRM CSc1ccc(Cl)c(C(=O)NCc2cc(C(=O)[O-])c(C)o2)c1 ZINC000336851147 971515234 /nfs/dbraw/zinc/51/52/34/971515234.db2.gz IDGGNHYYHJLFSZ-UHFFFAOYSA-N -1 0 339.800 3.592 20 0 EHADRM Cc1oc2ccccc2c1CNC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000342617770 971519309 /nfs/dbraw/zinc/51/93/09/971519309.db2.gz ILCZFKZUKVILGQ-UHFFFAOYSA-N -1 0 329.396 3.783 20 0 EHADRM COc1ccc2cc(C(=O)Nc3ccc(C(=O)[O-])cc3)c(C)nc2c1 ZINC000347002896 971520581 /nfs/dbraw/zinc/52/05/81/971520581.db2.gz ZMGWJCAISSHRPR-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1 ZINC000346969236 971521125 /nfs/dbraw/zinc/52/11/25/971521125.db2.gz HUWYJZPWJDMZTD-UHFFFAOYSA-N -1 0 347.374 3.700 20 0 EHADRM C[C@@H](C(=O)NC[C@H](C(=O)[O-])c1ccccc1)c1cc2ccccc2o1 ZINC000345996217 971521182 /nfs/dbraw/zinc/52/11/82/971521182.db2.gz OHYRAILCELEHIE-CJNGLKHVSA-N -1 0 337.375 3.521 20 0 EHADRM CCCC[C@H](NC(=O)[C@@H](C)Sc1ccccc1Cl)C(=O)[O-] ZINC000347256896 971521899 /nfs/dbraw/zinc/52/18/99/971521899.db2.gz HDJIJVTYEODKSE-PWSUYJOCSA-N -1 0 329.849 3.580 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)c2[nH]c3ccccc3c2Cl)c1 ZINC000347352755 971523860 /nfs/dbraw/zinc/52/38/60/971523860.db2.gz UQEUTGFKVCNDEU-UHFFFAOYSA-N -1 0 344.754 3.537 20 0 EHADRM CCC[C@H](NC(=O)c1ccccc1OCc1ccccc1C)C(=O)[O-] ZINC000347392046 971524743 /nfs/dbraw/zinc/52/47/43/971524743.db2.gz YNYHKXAKECCKBY-KRWDZBQOSA-N -1 0 341.407 3.557 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)CCCc1ccccc1 ZINC000348132974 971528066 /nfs/dbraw/zinc/52/80/66/971528066.db2.gz OTJRLXFZPUAZCZ-MRXNPFEDSA-N -1 0 325.408 3.511 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000352207238 971528717 /nfs/dbraw/zinc/52/87/17/971528717.db2.gz VIMKIQVJHGIDKT-UHFFFAOYSA-N -1 0 349.761 3.813 20 0 EHADRM CC[C@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)C(=O)[O-] ZINC001589586816 949059663 /nfs/dbraw/zinc/05/96/63/949059663.db2.gz XPCXPAOQCMYVIC-AWEZNQCLSA-N -1 0 342.424 3.717 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001589587050 949063581 /nfs/dbraw/zinc/06/35/81/949063581.db2.gz LJOINOUYNWWKIX-NXOAAHMSSA-N -1 0 341.492 3.614 20 0 EHADRM O=C([O-])CCCCC(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000368004038 971549657 /nfs/dbraw/zinc/54/96/57/971549657.db2.gz BFJHGRNVBCEEDS-ZDUSSCGKSA-N -1 0 343.345 3.666 20 0 EHADRM Cc1ccc(NC(=O)NCCCCCC(=O)[O-])cc1Br ZINC000109437550 949216405 /nfs/dbraw/zinc/21/64/05/949216405.db2.gz GHBSSXMCUMGVNS-UHFFFAOYSA-N -1 0 343.221 3.524 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N2CC3(CCCC3)[C@@H]2c2ccco2)o1 ZINC001595225671 949289157 /nfs/dbraw/zinc/28/91/57/949289157.db2.gz PGHBYQRIUQCRCW-JKNJVXJCSA-N -1 0 341.363 3.728 20 0 EHADRM CCC1(CC)CCCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1 ZINC001589612410 949334205 /nfs/dbraw/zinc/33/42/05/949334205.db2.gz LIDYWYUAUGKNEV-HNNXBMFYSA-N -1 0 326.481 3.735 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)NC1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC001602802218 971577688 /nfs/dbraw/zinc/57/76/88/971577688.db2.gz SFMILAMNEZMVIC-LLVKDONJSA-N -1 0 343.345 3.702 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)c[nH]2)nc1 ZINC001595236922 949415757 /nfs/dbraw/zinc/41/57/57/949415757.db2.gz LPNVZDSNYMHHEM-UHFFFAOYSA-N -1 0 341.754 3.681 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)/C=C/SCc1ccco1 ZINC001595238013 949422350 /nfs/dbraw/zinc/42/23/50/949422350.db2.gz DRWFHHIJGQQUBP-JXMROGBWSA-N -1 0 343.404 3.704 20 0 EHADRM O=C([O-])c1cccc(C(=O)NCc2cn(C(F)F)c3ccccc23)c1 ZINC001595241310 949461255 /nfs/dbraw/zinc/46/12/55/949461255.db2.gz OTAKKMNPFLYJRD-UHFFFAOYSA-N -1 0 344.317 3.665 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)C2(Cc3cccc(Cl)c3)CC2)c1 ZINC001595242965 949482592 /nfs/dbraw/zinc/48/25/92/949482592.db2.gz HNRDCVVLDYYGHZ-UHFFFAOYSA-N -1 0 343.810 3.677 20 0 EHADRM Cc1cc(C(=O)N(CC(=O)[O-])C(C)C)c(C)n1[C@@H](C)c1ccccc1 ZINC000178065931 949485444 /nfs/dbraw/zinc/48/54/44/949485444.db2.gz SUBXDHYNKYMVNU-HNNXBMFYSA-N -1 0 342.439 3.649 20 0 EHADRM O=C([O-])CCCNC(=O)c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000190520768 949497006 /nfs/dbraw/zinc/49/70/06/949497006.db2.gz UPTCBFWSPKBMKR-UHFFFAOYSA-N -1 0 333.771 3.727 20 0 EHADRM CCC(CC)(CNC(=O)c1ccc(-c2ccsc2)nc1C)C(=O)[O-] ZINC000191120773 949504801 /nfs/dbraw/zinc/50/48/01/949504801.db2.gz OFAUFYRJDPXNLI-UHFFFAOYSA-N -1 0 346.452 3.739 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CCCc2c(Cl)ccc(F)c21 ZINC001595254081 949576479 /nfs/dbraw/zinc/57/64/79/949576479.db2.gz UFTGLIZIMAIXKF-UHFFFAOYSA-N -1 0 347.773 3.699 20 0 EHADRM CCCCC1CCC(CNC(=O)NC[C@@H](C(=O)[O-])C(C)C)CC1 ZINC001589640073 949680578 /nfs/dbraw/zinc/68/05/78/949680578.db2.gz XSBONRHQUUUIQO-UYSNPLJNSA-N -1 0 326.481 3.639 20 0 EHADRM CCCCC[C@H](NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC001589642087 949701848 /nfs/dbraw/zinc/70/18/48/949701848.db2.gz KGXBYQJTCUENHY-KURKYZTESA-N -1 0 347.455 3.694 20 0 EHADRM CCCCC[C@](C)(CC)C(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001589642373 949707143 /nfs/dbraw/zinc/70/71/43/949707143.db2.gz QMGZREOLOQAUTE-KNJJTBQFSA-N -1 0 339.476 3.512 20 0 EHADRM CCCCN(C(=O)c1ccc(OCC(=O)[O-])cc1)C1CCCCC1 ZINC001589648091 949759771 /nfs/dbraw/zinc/75/97/71/949759771.db2.gz MWJHMXBZFATDDS-UHFFFAOYSA-N -1 0 333.428 3.725 20 0 EHADRM CC(C)[C@H](CNC(=O)Nc1cc(Cl)c(F)c(Cl)c1)C(=O)[O-] ZINC000232045220 949762534 /nfs/dbraw/zinc/76/25/34/949762534.db2.gz PJCXKGUZBBEHQO-QMMMGPOBSA-N -1 0 337.178 3.611 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000232722565 949783631 /nfs/dbraw/zinc/78/36/31/949783631.db2.gz GDAHPDXHSNRPID-AWEZNQCLSA-N -1 0 341.407 3.594 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Oc2ccc(Sc3ccncc3)cc2)C1 ZINC001595277329 949934534 /nfs/dbraw/zinc/93/45/34/949934534.db2.gz ASBDCBCMYMMLET-OLZOCXBDSA-N -1 0 343.404 3.639 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000236898354 949945070 /nfs/dbraw/zinc/94/50/70/949945070.db2.gz CBMJKEOWKOXAKB-HOTGVXAUSA-N -1 0 347.455 3.682 20 0 EHADRM Cc1[nH]c2ccc(C(=O)N3CCCC[C@@H]3CCC(=O)[O-])cc2c1C ZINC000237726268 949975665 /nfs/dbraw/zinc/97/56/65/949975665.db2.gz PNJFLJHOEUZSFZ-OAHLLOKOSA-N -1 0 328.412 3.644 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)CCCOc2ccc(Cl)cc2)cc1 ZINC000238085912 949990869 /nfs/dbraw/zinc/99/08/69/949990869.db2.gz XQRLLGCFFMLDTO-UHFFFAOYSA-N -1 0 347.798 3.514 20 0 EHADRM CCCOc1cc(C)ccc1NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001589679975 950032344 /nfs/dbraw/zinc/03/23/44/950032344.db2.gz JDWCVLCNDZBWLV-FNORWQNLSA-N -1 0 329.352 3.727 20 0 EHADRM CCCOc1ccc(COC(=O)c2coc(/C=C\C(=O)[O-])c2)cc1 ZINC001589681433 950052564 /nfs/dbraw/zinc/05/25/64/950052564.db2.gz OHQALWKBGURIKW-FPLPWBNLSA-N -1 0 330.336 3.523 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)CCc2cc(Cl)cs2)Cc2ccccc21 ZINC000262106718 950065332 /nfs/dbraw/zinc/06/53/32/950065332.db2.gz FCPFOKKVLVOBLA-OAHLLOKOSA-N -1 0 349.839 3.545 20 0 EHADRM C[C@@H](C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000262157428 950075416 /nfs/dbraw/zinc/07/54/16/950075416.db2.gz NSRZCJCLHCXTQR-PXAZEXFGSA-N -1 0 343.810 3.654 20 0 EHADRM CC(C)(CC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000262271936 950100825 /nfs/dbraw/zinc/10/08/25/950100825.db2.gz YFDUPEZNRQPOGZ-GOSISDBHSA-N -1 0 337.419 3.565 20 0 EHADRM CCCc1csc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)n1 ZINC001589691071 950109666 /nfs/dbraw/zinc/10/96/66/950109666.db2.gz DVUMPTBFGHOFMY-KGLIPLIRSA-N -1 0 345.424 3.530 20 0 EHADRM Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC000262671828 950148757 /nfs/dbraw/zinc/14/87/57/950148757.db2.gz RKLFPJSKOLBGRP-OAGGEKHMSA-N -1 0 343.448 3.567 20 0 EHADRM CCN(C(=O)CCC(=O)[O-])[C@H](c1ccc(Cl)cc1)c1cccnc1 ZINC001589700574 950231411 /nfs/dbraw/zinc/23/14/11/950231411.db2.gz SFSFFWRKLMJLOX-GOSISDBHSA-N -1 0 346.814 3.538 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N3C[C@@H](C)C[C@H](C(=O)[O-])C3)o2)cc1 ZINC000263108068 950269729 /nfs/dbraw/zinc/26/97/29/950269729.db2.gz BMKLYZCEFCDFLH-BBRMVZONSA-N -1 0 341.407 3.692 20 0 EHADRM COCc1c2ccccc2oc1C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC000263135714 950286233 /nfs/dbraw/zinc/28/62/33/950286233.db2.gz MBEVFBDBKPHODW-AWEZNQCLSA-N -1 0 347.411 3.589 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2sccc2-c2ccccc2)C1 ZINC000263326335 950370723 /nfs/dbraw/zinc/37/07/23/950370723.db2.gz KPXMLODQTBHFQA-GXTWGEPZSA-N -1 0 329.421 3.598 20 0 EHADRM C[C@@H](c1ccc2ccccc2c1)N(C(=O)NCCC(=O)[O-])C1CC1 ZINC000263394239 950434763 /nfs/dbraw/zinc/43/47/63/950434763.db2.gz QYUXOZGEIZAGBT-ZDUSSCGKSA-N -1 0 326.396 3.550 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Nc1ccc(Cl)cc1F ZINC000315874741 950857972 /nfs/dbraw/zinc/85/79/72/950857972.db2.gz JPWZNVDMGJDUNM-NSHDSACASA-N -1 0 328.771 3.730 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)Nc2cc(F)cc(Cl)c2)C1 ZINC000317792683 950913354 /nfs/dbraw/zinc/91/33/54/950913354.db2.gz FFEYWKCEYMFSIM-SNVBAGLBSA-N -1 0 328.771 3.588 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cc(F)c(Cl)cc2F)CCCCC1 ZINC000317674658 950914588 /nfs/dbraw/zinc/91/45/88/950914588.db2.gz GQJDJFQUOQHNMM-UHFFFAOYSA-N -1 0 331.746 3.526 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000320451855 950987516 /nfs/dbraw/zinc/98/75/16/950987516.db2.gz NUTQLBDZWBWLJP-JTQLQIEISA-N -1 0 328.315 3.614 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc3c(s2)CC[C@@H](C)C3)C1 ZINC000320497039 950989557 /nfs/dbraw/zinc/98/95/57/950989557.db2.gz XFSYDDPXJVYIKD-XIKOKIGWSA-N -1 0 335.469 3.590 20 0 EHADRM Cc1cccc(OCCC(=O)Nc2c(C)cccc2C(=O)[O-])c1C ZINC000324056444 951059531 /nfs/dbraw/zinc/05/95/31/951059531.db2.gz VTCOKNCFJRFCQP-UHFFFAOYSA-N -1 0 327.380 3.718 20 0 EHADRM COCCc1ccccc1NC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000326323293 951098229 /nfs/dbraw/zinc/09/82/29/951098229.db2.gz WAYBBCUQRSVDLH-UHFFFAOYSA-N -1 0 328.368 3.526 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)c1cccn1Cc1ccccc1)C(=O)[O-] ZINC001602860869 971716570 /nfs/dbraw/zinc/71/65/70/971716570.db2.gz GCMLJWTXLYANBH-MRXNPFEDSA-N -1 0 342.439 3.546 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000347513785 951132522 /nfs/dbraw/zinc/13/25/22/951132522.db2.gz HYNBGRKHNDMGJI-GJZGRUSLSA-N -1 0 335.469 3.661 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)CCc1ccc2ccccc2n1)C(=O)[O-] ZINC001602861319 971719374 /nfs/dbraw/zinc/71/93/74/971719374.db2.gz RSOKEJOJUOZYPA-QGZVFWFLSA-N -1 0 342.439 3.563 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000372644692 951147960 /nfs/dbraw/zinc/14/79/60/951147960.db2.gz YDKRQZLDJUNOLU-UHFFFAOYSA-N -1 0 327.355 3.544 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)Nc2ccc(C(F)F)cc2)CC1 ZINC000386397199 951298446 /nfs/dbraw/zinc/29/84/46/951298446.db2.gz HEMGPYREUJYFOH-UHFFFAOYSA-N -1 0 326.343 3.733 20 0 EHADRM Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC000390319294 951373639 /nfs/dbraw/zinc/37/36/39/951373639.db2.gz AABFPMPCESDYEB-UHFFFAOYSA-N -1 0 345.405 3.526 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1ccccc1NC(=O)c1ccccc1 ZINC001595034848 951394888 /nfs/dbraw/zinc/39/48/88/951394888.db2.gz FWIREKSJNUYDFE-UHFFFAOYSA-N -1 0 340.379 3.522 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1ccc(Oc2ccccc2F)nc1 ZINC001595035054 951397583 /nfs/dbraw/zinc/39/75/83/951397583.db2.gz TUJMEJSNUWALFR-UHFFFAOYSA-N -1 0 332.331 3.597 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC000397086840 951519375 /nfs/dbraw/zinc/51/93/75/951519375.db2.gz JBKHNEMSVMBHQF-MELADBBJSA-N -1 0 334.416 3.581 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)Nc2cccc(OCCF)c2)c1 ZINC001595064419 951537739 /nfs/dbraw/zinc/53/77/39/951537739.db2.gz RYRRSPLGJSEXBB-UHFFFAOYSA-N -1 0 346.358 3.696 20 0 EHADRM O=C([O-])CCc1cccc(NCc2c(Cl)nc3ccccn32)c1 ZINC001595066655 951554849 /nfs/dbraw/zinc/55/48/49/951554849.db2.gz SNGOLRAGLSAPGH-UHFFFAOYSA-N -1 0 329.787 3.617 20 0 EHADRM O=C([O-])c1cccc(COc2cc(F)ccc2[N+](=O)[O-])c1Cl ZINC000381566560 971764591 /nfs/dbraw/zinc/76/45/91/971764591.db2.gz XNMQDBRCOSBOEF-UHFFFAOYSA-N -1 0 325.679 3.665 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2cccc(OCc3ccccc3)c2)n1 ZINC000382270764 971806610 /nfs/dbraw/zinc/80/66/10/971806610.db2.gz FCMJYTCXAIYQPM-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCCCC[C@H]1/C=C\c1ccccc1 ZINC001595177906 952241782 /nfs/dbraw/zinc/24/17/82/952241782.db2.gz VKVHNVBWJJZKCU-JICVQUKZSA-N -1 0 327.424 3.582 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)c1Cl ZINC001595206446 952329480 /nfs/dbraw/zinc/32/94/80/952329480.db2.gz LDSVRTMABWQOQT-ZLKJLUDKSA-N -1 0 345.757 3.702 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1Cl ZINC001595206440 952329774 /nfs/dbraw/zinc/32/97/74/952329774.db2.gz LDSVRTMABWQOQT-DDTOSNHZSA-N -1 0 345.757 3.702 20 0 EHADRM CC(C)(C)c1ccc(OCC(=O)NC2(CC(=O)[O-])CCCCC2)cc1 ZINC001602923075 971884354 /nfs/dbraw/zinc/88/43/54/971884354.db2.gz LFEOWTAKMZTKMQ-UHFFFAOYSA-N -1 0 347.455 3.657 20 0 EHADRM O=C([O-])CCCCCNC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000414619623 953400928 /nfs/dbraw/zinc/40/09/28/953400928.db2.gz BRNIDHAUSZIUBS-KSZLIROESA-N -1 0 344.455 3.609 20 0 EHADRM CC1CC(C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)(c2cccc(Cl)c2)C1 ZINC001589269597 953405919 /nfs/dbraw/zinc/40/59/19/953405919.db2.gz XGSHDYUWUYVAJM-TXCIGDHXSA-N -1 0 349.858 3.577 20 0 EHADRM CCC(CC)(CNC(=O)Cc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000424245732 953434061 /nfs/dbraw/zinc/43/40/61/953434061.db2.gz KSYSLYSJECVHKC-UHFFFAOYSA-N -1 0 332.227 3.543 20 0 EHADRM C[C@H](NC(=O)NCCC(C)(C)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000424394346 953460541 /nfs/dbraw/zinc/46/05/41/953460541.db2.gz XXHVDOSZZWUATG-JTQLQIEISA-N -1 0 346.349 3.567 20 0 EHADRM C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)NCCC(C)(C)C(=O)[O-])C1 ZINC000424398572 953464030 /nfs/dbraw/zinc/46/40/30/953464030.db2.gz ANZQYTIFXVNAFT-HOCLYGCPSA-N -1 0 332.444 3.670 20 0 EHADRM Cc1cccc(-c2cncc(C(=O)NC[C@H](CC(C)C)C(=O)[O-])c2)c1 ZINC000431533689 953501641 /nfs/dbraw/zinc/50/16/41/953501641.db2.gz UHVQCOQDRSOISC-SFHVURJKSA-N -1 0 340.423 3.534 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000479531620 953525592 /nfs/dbraw/zinc/52/55/92/953525592.db2.gz VCKVVEXIQGFFTM-MRXNPFEDSA-N -1 0 331.343 3.628 20 0 EHADRM CC[C@H](NC(=O)c1coc(/C=C\C(=O)[O-])c1)c1ccc(C)c(F)c1 ZINC001593622387 953535761 /nfs/dbraw/zinc/53/57/61/953535761.db2.gz ZMQYMCUAOGVLIC-WLMCBFPDSA-N -1 0 331.343 3.706 20 0 EHADRM CC[C@@H](C(=O)NCC1(C(=O)[O-])CCC1)c1cccc(C(F)(F)F)c1 ZINC000539571714 953574532 /nfs/dbraw/zinc/57/45/32/953574532.db2.gz ZXEGHESHSUFEIF-CYBMUJFWSA-N -1 0 343.345 3.570 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC001602960810 971948809 /nfs/dbraw/zinc/94/88/09/971948809.db2.gz KISSUANZDRIIKZ-QZTJIDSGSA-N -1 0 331.456 3.605 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccccc2NC2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000564730311 953605547 /nfs/dbraw/zinc/60/55/47/953605547.db2.gz YECZEKRJBQOZGQ-PBHICJAKSA-N -1 0 344.455 3.614 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000566181952 953620411 /nfs/dbraw/zinc/62/04/11/953620411.db2.gz SYZXKJWPZMQKHS-KYOSRNDESA-N -1 0 344.411 3.554 20 0 EHADRM CCc1ccc(CN(C(=O)[C@@]2(C(=O)[O-])CC=CCC2)C2CC2)cc1 ZINC001593637699 953620725 /nfs/dbraw/zinc/62/07/25/953620725.db2.gz BGORNTBEPWXIOS-HXUWFJFHSA-N -1 0 327.424 3.551 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NCc2ccccc2COC(C)C)c1 ZINC000566666006 953628303 /nfs/dbraw/zinc/62/83/03/953628303.db2.gz BXPQYLNKZBMSCL-UHFFFAOYSA-N -1 0 341.407 3.548 20 0 EHADRM CCc1ccc(NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc1OC ZINC001593639060 953633089 /nfs/dbraw/zinc/63/30/89/953633089.db2.gz QSNNLRPXUHRJJR-AWEZNQCLSA-N -1 0 336.432 3.659 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)C[C@H]1C(=O)[O-] ZINC000572523719 953669789 /nfs/dbraw/zinc/66/97/89/953669789.db2.gz KYJHSRVEDPGXEZ-QPUJVOFHSA-N -1 0 331.199 3.568 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@H](C(=O)[O-])C2)sc1-c1ccccc1 ZINC000572617268 953670211 /nfs/dbraw/zinc/67/02/11/953670211.db2.gz XTEONYCFKZCOGH-AWEZNQCLSA-N -1 0 329.421 3.660 20 0 EHADRM CC[C@H](NC(=O)N1CCC[C@@H](CC(=O)[O-])C1)C(C)(C)c1ccccc1 ZINC000575894333 953685381 /nfs/dbraw/zinc/68/53/81/953685381.db2.gz MUXXDANCJAQDDP-RDJZCZTQSA-N -1 0 346.471 3.639 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1csc(-c2ccccc2)n1 ZINC001589303593 953714287 /nfs/dbraw/zinc/71/42/87/953714287.db2.gz ILIASFOUIJAIEC-WCQYABFASA-N -1 0 345.424 3.527 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC001589303699 953717124 /nfs/dbraw/zinc/71/71/24/953717124.db2.gz KGQFQEBAIFTQJS-CMPLNLGQSA-N -1 0 344.333 3.508 20 0 EHADRM CCc1oc2ccccc2c1CN(C)C(=O)C1(CC(=O)[O-])CCC1 ZINC000582304524 953723474 /nfs/dbraw/zinc/72/34/74/953723474.db2.gz SFUOYQQXFZQLBJ-UHFFFAOYSA-N -1 0 329.396 3.599 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccccc1CCC(F)(F)F ZINC001589305356 953733249 /nfs/dbraw/zinc/73/32/49/953733249.db2.gz NSRHPIQKJCFQRH-DGCLKSJQSA-N -1 0 343.345 3.507 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1ccc(C2CC2)cc1)c1ccc(F)cc1 ZINC001594804721 953774680 /nfs/dbraw/zinc/77/46/80/953774680.db2.gz ZCYGKQQSDSLVFA-INIZCTEOSA-N -1 0 328.343 3.651 20 0 EHADRM CC[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1cccc(Cl)c1 ZINC000626745862 953798378 /nfs/dbraw/zinc/79/83/78/953798378.db2.gz GQNALKBFKSNHDC-GLQYFDAESA-N -1 0 338.835 3.543 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000626747979 953802712 /nfs/dbraw/zinc/80/27/12/953802712.db2.gz DHJJBALYAZNLFB-KWCYVHTRSA-N -1 0 344.411 3.554 20 0 EHADRM CC(C)[C@@H]1C[C@H](NC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)c2ccccc21 ZINC000626777234 953819803 /nfs/dbraw/zinc/81/98/03/953819803.db2.gz LRIMUQUGOZHDDV-BODMPHMZSA-N -1 0 344.455 3.623 20 0 EHADRM Cc1oc(-c2ccccc2)cc1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000630135671 953839913 /nfs/dbraw/zinc/83/99/13/953839913.db2.gz RHMWKWZEKQXGKC-UHFFFAOYSA-N -1 0 327.380 3.628 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC001594812353 953841533 /nfs/dbraw/zinc/84/15/33/953841533.db2.gz YFTLMLDQABTEHD-CQSZACIVSA-N -1 0 345.786 3.706 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)C1(C)C ZINC000644631363 953915397 /nfs/dbraw/zinc/91/53/97/953915397.db2.gz LOOHCMZLBUFUNE-BSDSXHPESA-N -1 0 341.451 3.552 20 0 EHADRM CN(C(=O)[C@H](C(=O)[O-])C(C)(C)C)c1nc2ccc(Cl)cc2s1 ZINC001593676409 953932531 /nfs/dbraw/zinc/93/25/31/953932531.db2.gz OFFWPTYNKMDMQS-LLVKDONJSA-N -1 0 340.832 3.659 20 0 EHADRM C[C@H]1CCN(C(=O)C2(c3cccc(F)c3)CCCCC2)C[C@@H]1C(=O)[O-] ZINC001589335156 953988093 /nfs/dbraw/zinc/98/80/93/953988093.db2.gz CPOFRLSXQHFDKH-YOEHRIQHSA-N -1 0 347.430 3.597 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000649364413 953994202 /nfs/dbraw/zinc/99/42/02/953994202.db2.gz YMLBNWBVBHJTTH-AWEZNQCLSA-N -1 0 328.412 3.502 20 0 EHADRM Cc1ncc(-c2ccccc2)cc1NC(=O)NC1(CC(=O)[O-])CCC1 ZINC000649541950 954004384 /nfs/dbraw/zinc/00/43/84/954004384.db2.gz PUKBCVBEWFTBBL-UHFFFAOYSA-N -1 0 339.395 3.576 20 0 EHADRM O=C([O-])[C@@H](C(=O)O[C@H]1CCc2c1cc(Cl)cc2Cl)C1CC1 ZINC001594837920 954044387 /nfs/dbraw/zinc/04/43/87/954044387.db2.gz KAFNCQBKIBXTCS-STQMWFEESA-N -1 0 329.179 3.635 20 0 EHADRM O=C([O-])[C@@]1(C(=O)N2CCC(CCc3ccccc3)CC2)CC=CCC1 ZINC001594845498 954140558 /nfs/dbraw/zinc/14/05/58/954140558.db2.gz RUVAGCZZDBMTMZ-NRFANRHFSA-N -1 0 341.451 3.669 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000653317224 954141698 /nfs/dbraw/zinc/14/16/98/954141698.db2.gz ODFZUIJWENUTAK-LHNIVKCTSA-N -1 0 342.222 3.561 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)[C@H]2CCCc3ccccc32)c2ccccc21 ZINC000653330866 954159891 /nfs/dbraw/zinc/15/98/91/954159891.db2.gz LAEBNCYESKRDRV-GBESFXJTSA-N -1 0 335.403 3.536 20 0 EHADRM CC(C)[C@@H](CNC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000655568707 954207367 /nfs/dbraw/zinc/20/73/67/954207367.db2.gz QSWZOXQFOLMWEE-BXUZGUMPSA-N -1 0 345.361 3.672 20 0 EHADRM CC[C@@H](NC(=O)NC[C@@H](C(=O)[O-])C(C)C)c1ccc(Cl)s1 ZINC000655870043 954257082 /nfs/dbraw/zinc/25/70/82/954257082.db2.gz NYHQKIOKRUWYAO-NXEZZACHSA-N -1 0 332.853 3.509 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)NC[C@H](C(=O)[O-])C(C)C)c1C ZINC000655894146 954276507 /nfs/dbraw/zinc/27/65/07/954276507.db2.gz WLYWRZPFWWKBJK-IRXDYDNUSA-N -1 0 332.444 3.507 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@H]1c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655908668 954291396 /nfs/dbraw/zinc/29/13/96/954291396.db2.gz RNBICIRDTOBDNB-XBVQOTNRSA-N -1 0 344.455 3.669 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccccc2COC(C)(C)C)CC[C@H]1C(=O)[O-] ZINC001589387571 954312552 /nfs/dbraw/zinc/31/25/52/954312552.db2.gz NAHDPRMUHPUZKY-DZGCQCFKSA-N -1 0 348.443 3.576 20 0 EHADRM O=C([O-])[C@@]1(C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)CC=CCC1 ZINC001594869250 954333283 /nfs/dbraw/zinc/33/32/83/954333283.db2.gz KSUYHZKNRBDWJZ-YEWWUXTCSA-N -1 0 333.815 3.513 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2ccc(Nc3ccccc3)nc2)CC=CCC1 ZINC001594870263 954346652 /nfs/dbraw/zinc/34/66/52/954346652.db2.gz CIDRTUMPNYNHLW-LJQANCHMSA-N -1 0 337.379 3.575 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc(-c3ccc(F)cc3Cl)n2)CCC1 ZINC001594871128 954357501 /nfs/dbraw/zinc/35/75/01/954357501.db2.gz QWEXRSGXQSDZJG-UHFFFAOYSA-N -1 0 348.761 3.735 20 0 EHADRM CCN(C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1)[C@H](C)C(=O)[O-] ZINC000659770604 954367258 /nfs/dbraw/zinc/36/72/58/954367258.db2.gz FYHPLFZETVCBGW-GHMZBOCLSA-N -1 0 331.334 3.521 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC000659784022 954373727 /nfs/dbraw/zinc/37/37/27/954373727.db2.gz XEZGITJRNXAURZ-BONVTDFDSA-N -1 0 349.839 3.596 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc(-c3ncco3)c2)CCCCCC1 ZINC000663036853 954411083 /nfs/dbraw/zinc/41/10/83/954411083.db2.gz CYIRJQXIRVGTFT-UHFFFAOYSA-N -1 0 328.368 3.705 20 0 EHADRM C[C@@H](NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c1ccc(-c2ccncc2)cc1 ZINC000663041425 954415247 /nfs/dbraw/zinc/41/52/47/954415247.db2.gz XUTMPEBPQFXUCL-DYVFJYSZSA-N -1 0 340.423 3.673 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000663078357 954454813 /nfs/dbraw/zinc/45/48/13/954454813.db2.gz YBFNBAJCEQWFLT-INIZCTEOSA-N -1 0 339.391 3.603 20 0 EHADRM O=C([O-])C1(c2noc(-c3cnc(-c4ccccc4F)s3)n2)CCC1 ZINC001594886588 954470042 /nfs/dbraw/zinc/47/00/42/954470042.db2.gz AWNHABGONYBIHF-UHFFFAOYSA-N -1 0 345.355 3.506 20 0 EHADRM O=C([O-])C1(c2noc(C3(c4ccc(F)cc4F)CCCC3)n2)CCC1 ZINC001594887348 954475571 /nfs/dbraw/zinc/47/55/71/954475571.db2.gz NILOPRJXWNJJJA-UHFFFAOYSA-N -1 0 348.349 3.714 20 0 EHADRM CN(Cc1ccccc1C(F)(F)F)C(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001593760578 954483316 /nfs/dbraw/zinc/48/33/16/954483316.db2.gz DOEHAVSMDHOEDR-AWEZNQCLSA-N -1 0 343.345 3.555 20 0 EHADRM C[C@H]1CCN(C(=O)NCc2cccc(C(=O)[O-])c2)[C@H](c2ccco2)C1 ZINC000666562556 954560481 /nfs/dbraw/zinc/56/04/81/954560481.db2.gz MEPMYXMAPMVONF-BBRMVZONSA-N -1 0 342.395 3.661 20 0 EHADRM CC(C)C1CCC(NC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)CC1 ZINC001602999084 972035455 /nfs/dbraw/zinc/03/54/55/972035455.db2.gz BRKZYXUXJJAAGW-MKJPBZQASA-N -1 0 346.471 3.543 20 0 EHADRM CC(C)[C@H](SCc1ccccc1)C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001602993998 972033712 /nfs/dbraw/zinc/03/37/12/972033712.db2.gz UYICKPDWVOMTQY-OIISXLGYSA-N -1 0 349.496 3.514 20 0 EHADRM CCC(C)(C)OCCNC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001589451939 954806879 /nfs/dbraw/zinc/80/68/79/954806879.db2.gz NNOFAEFVPBUNJW-UHFFFAOYSA-N -1 0 346.786 3.504 20 0 EHADRM CC(C)CC(CC(C)C)NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001603002460 972046442 /nfs/dbraw/zinc/04/64/42/972046442.db2.gz SDJMHJCPYVZSTN-HNNXBMFYSA-N -1 0 326.481 3.734 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)NCC1(c2ccc(F)cc2Cl)CC1 ZINC001589474639 954952989 /nfs/dbraw/zinc/95/29/89/954952989.db2.gz XRSBBSAMLRYXTM-UHFFFAOYSA-N -1 0 341.810 3.518 20 0 EHADRM COC(=O)[C@H](Cc1ccc(C)cc1)SCc1cccc(C(=O)[O-])c1 ZINC001593812144 954955141 /nfs/dbraw/zinc/95/51/41/954955141.db2.gz ZBLRKDBLIJGZJY-KRWDZBQOSA-N -1 0 344.432 3.711 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N1CC2(CCCC2)[C@H]1c1ccco1)C(=O)[O-] ZINC001603009152 972060146 /nfs/dbraw/zinc/06/01/46/972060146.db2.gz WICYXKDPSNUPCY-GOEBONIOSA-N -1 0 348.443 3.653 20 0 EHADRM CCC(CC)(CNC(=O)N1CC[C@@H](C(C)(C)C)C[C@@H]1C)C(=O)[O-] ZINC001589489222 955005834 /nfs/dbraw/zinc/00/58/34/955005834.db2.gz OIMZILZWZVOOCZ-UONOGXRCSA-N -1 0 326.481 3.734 20 0 EHADRM CCC(CC)(CNC(=O)c1c(C)onc1-c1ccccc1C)C(=O)[O-] ZINC001589498088 955025831 /nfs/dbraw/zinc/02/58/31/955025831.db2.gz OTVGYARBZJYHRW-UHFFFAOYSA-N -1 0 344.411 3.579 20 0 EHADRM CCC(CC)(CNC(=O)c1ccc(OC(F)F)c(Cl)c1)C(=O)[O-] ZINC001589500316 955028488 /nfs/dbraw/zinc/02/84/88/955028488.db2.gz GNCHRRUDZPQCMU-UHFFFAOYSA-N -1 0 349.761 3.562 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)Nc2ccc3c(c2)C(=O)CCCC3)co1 ZINC001594967533 955071517 /nfs/dbraw/zinc/07/15/17/955071517.db2.gz ADZBMQJDIMPZEW-FPLPWBNLSA-N -1 0 339.347 3.539 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)Nc2ccc(F)c(C(F)F)c2)co1 ZINC001594969364 955090318 /nfs/dbraw/zinc/09/03/18/955090318.db2.gz WYWUXEXMIWIJNG-RQOWECAXSA-N -1 0 325.242 3.706 20 0 EHADRM CC[C@@H](CNC(=O)NCC1(c2ccccc2C)CCCCC1)C(=O)[O-] ZINC001589536133 955164609 /nfs/dbraw/zinc/16/46/09/955164609.db2.gz ZKLJCIJENMAOMO-INIZCTEOSA-N -1 0 346.471 3.607 20 0 EHADRM C/C(=C\C(=O)N([C@@H](C)C(=O)[O-])C1CC1)c1ccccc1C(F)(F)F ZINC000776619467 955329606 /nfs/dbraw/zinc/32/96/06/955329606.db2.gz REZNXDSUSGWNAB-USKTWTLRSA-N -1 0 341.329 3.573 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC001589001608 955330958 /nfs/dbraw/zinc/33/09/58/955330958.db2.gz PCYKTSGATQBVLV-LLVKDONJSA-N -1 0 335.444 3.580 20 0 EHADRM Cc1cc(C)c(/C=C\C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1C ZINC000777394629 955338566 /nfs/dbraw/zinc/33/85/66/955338566.db2.gz CIAWVLLZTKAFGY-QWPQOLDESA-N -1 0 329.440 3.728 20 0 EHADRM Cc1sc(NC(=O)N[C@@H](C(=O)[O-])C(C)C)nc1C1CCCCC1 ZINC001594512080 955396905 /nfs/dbraw/zinc/39/69/05/955396905.db2.gz IBUUDSDAAJSFRW-GFCCVEGCSA-N -1 0 339.461 3.730 20 0 EHADRM CCC1CCC(NC(=O)CSCc2cccs2)(C(=O)[O-])CC1 ZINC000387067268 972101421 /nfs/dbraw/zinc/10/14/21/972101421.db2.gz QCWPFXRXPOJAKI-UHFFFAOYSA-N -1 0 341.498 3.521 20 0 EHADRM CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)NCCCCC(=O)[O-] ZINC000836717732 955559376 /nfs/dbraw/zinc/55/93/76/955559376.db2.gz DKWAHVFEDCPHTG-UHFFFAOYSA-N -1 0 345.361 3.645 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)[C@@H]1CCCC(F)(F)C1)CCC2 ZINC000387156350 972107849 /nfs/dbraw/zinc/10/78/49/972107849.db2.gz SYPGTVWKDNBEKK-MRVPVSSYSA-N -1 0 329.368 3.699 20 0 EHADRM C[C@H](CNC(=O)CCCCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001589043625 955600150 /nfs/dbraw/zinc/60/01/50/955600150.db2.gz FSBBHLXANPPOLD-SNVBAGLBSA-N -1 0 332.227 3.543 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)Nc2ncccc2C(=O)[O-])c1 ZINC001603054534 972121904 /nfs/dbraw/zinc/12/19/04/972121904.db2.gz ZBVJTACHPDKTMY-ZDUSSCGKSA-N -1 0 326.396 3.721 20 0 EHADRM C[C@@H](NC(=O)/C(F)=C/C1CCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848452241 955739653 /nfs/dbraw/zinc/73/96/53/955739653.db2.gz PFLUNGUBZNJYGT-DLWJOYCVSA-N -1 0 325.424 3.672 20 0 EHADRM CC(F)(F)CCC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001589081368 955855632 /nfs/dbraw/zinc/85/56/32/955855632.db2.gz GFSZFDAKBQOHLG-UHFFFAOYSA-N -1 0 325.355 3.526 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000864121192 955949147 /nfs/dbraw/zinc/94/91/47/955949147.db2.gz RTLGBOUQJWRERL-UHYCVJNDSA-N -1 0 331.456 3.651 20 0 EHADRM CCCN(CCc1cccs1)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000864143572 955964422 /nfs/dbraw/zinc/96/44/22/955964422.db2.gz GSUYFIKZSIVEES-VURMDHGXSA-N -1 0 333.409 3.534 20 0 EHADRM C[C@@](NC(=O)CC[C@@H]1CCc2ccccc21)(C(=O)[O-])c1ccccc1 ZINC001589094818 955976870 /nfs/dbraw/zinc/97/68/70/955976870.db2.gz AZRUXKRRZMTWCE-KKSFZXQISA-N -1 0 337.419 3.613 20 0 EHADRM C[C@](NC(=O)CC[C@@H]1CCc2ccccc21)(C(=O)[O-])c1ccccc1 ZINC001589094815 955977093 /nfs/dbraw/zinc/97/70/93/955977093.db2.gz AZRUXKRRZMTWCE-HRAATJIYSA-N -1 0 337.419 3.613 20 0 EHADRM C[C@H](NC(=O)Cc1ccccc1C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001589098058 955991312 /nfs/dbraw/zinc/99/13/12/955991312.db2.gz BXCRWLWGTQJNGK-JTQLQIEISA-N -1 0 335.762 3.597 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1cccc(SC(F)(F)F)c1 ZINC001589114396 956081006 /nfs/dbraw/zinc/08/10/06/956081006.db2.gz LJLXYQWRGBVVQA-KPXOXKRLSA-N -1 0 347.358 3.587 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)/C=C\c2cc(Cl)cc(Cl)c2)o1 ZINC000388176988 972158328 /nfs/dbraw/zinc/15/83/28/972158328.db2.gz LVKSDVANEOBLDU-RJRFIUFISA-N -1 0 340.162 3.614 20 0 EHADRM O=C([O-])CCCCNc1nc(C(F)(F)F)c(Br)s1 ZINC000900957100 956298859 /nfs/dbraw/zinc/29/88/59/956298859.db2.gz PSLWGOOIXGJNMW-UHFFFAOYSA-N -1 0 347.156 3.591 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)Nc2ccc([C@H](F)C(F)(F)F)cc2)C1 ZINC000887394457 956258621 /nfs/dbraw/zinc/25/86/21/956258621.db2.gz RUROJKIZMMUXOT-JQWIXIFHSA-N -1 0 348.296 3.588 20 0 EHADRM Cc1ccnc(Oc2ccc(C(=O)NCCCCCC(=O)[O-])cc2)c1 ZINC000901440268 956310533 /nfs/dbraw/zinc/31/05/33/956310533.db2.gz ZVTUPSHQDSSBSB-UHFFFAOYSA-N -1 0 342.395 3.557 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)c2sc3cccc(F)c3c2Cl)C1 ZINC000901502648 956330611 /nfs/dbraw/zinc/33/06/11/956330611.db2.gz VVCOFNATMKBQPR-MRVPVSSYSA-N -1 0 341.791 3.631 20 0 EHADRM Cc1ccc(CCC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)cc1Cl ZINC000388525718 972174129 /nfs/dbraw/zinc/17/41/29/972174129.db2.gz YANBGWDHHSHMCA-AWEZNQCLSA-N -1 0 325.836 3.587 20 0 EHADRM Cc1nc2c(Cl)cccc2cc1C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000901653374 956404083 /nfs/dbraw/zinc/40/40/83/956404083.db2.gz HKAPZYQQVKZWIA-MFKMUULPSA-N -1 0 346.814 3.522 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)N[C@@H](c2ccccc2)C2CCC2)co1 ZINC000901769496 956459555 /nfs/dbraw/zinc/45/95/55/956459555.db2.gz KSHQIGWVIBVTCW-LPADLIQXSA-N -1 0 325.364 3.649 20 0 EHADRM C[C@@H](SCC(=O)Nc1ccccc1Oc1ccccc1)C(=O)[O-] ZINC001589169745 956463882 /nfs/dbraw/zinc/46/38/82/956463882.db2.gz LJBRHBKOEYFXEL-GFCCVEGCSA-N -1 0 331.393 3.624 20 0 EHADRM Cc1ccc(C[C@H]2CCCN2C(=O)c2coc(/C=C\C(=O)[O-])c2)cc1 ZINC000901847966 956502265 /nfs/dbraw/zinc/50/22/65/956502265.db2.gz OUXIDVQQHFTWCU-XZVRFQMRSA-N -1 0 339.391 3.533 20 0 EHADRM Cc1ccccc1[C@@H]1CCCN1C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC000901980185 956586141 /nfs/dbraw/zinc/58/61/41/956586141.db2.gz SBAMBKCDFAJRMA-IJDCCNJMSA-N -1 0 325.364 3.663 20 0 EHADRM CC1(C)C[C@H](NC(=O)c2coc(/C=C\C(=O)[O-])c2)c2ccccc21 ZINC001589211031 956687459 /nfs/dbraw/zinc/68/74/59/956687459.db2.gz DDMNMUVULPQCJK-PTZVLDCSSA-N -1 0 325.364 3.530 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCCCCc2ccc(F)cc2)nc1 ZINC001594679418 956690597 /nfs/dbraw/zinc/69/05/97/956690597.db2.gz GRPPWCPSTUJKQM-UHFFFAOYSA-N -1 0 330.359 3.661 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N(Cc1ccccc1Cl)CC1CC1 ZINC001589211745 956695170 /nfs/dbraw/zinc/69/51/70/956695170.db2.gz LRGYQBJJRIOQSS-SFHVURJKSA-N -1 0 335.831 3.580 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)CCCOc1ccc(Cl)cc1 ZINC001594681988 956697473 /nfs/dbraw/zinc/69/74/73/956697473.db2.gz JOFQNCWZWRILDL-UHFFFAOYSA-N -1 0 347.798 3.514 20 0 EHADRM CC1(C)C[C@H](C(=O)N2CCCC[C@@H]2CCC(=O)[O-])c2ccccc2O1 ZINC001589214052 956721336 /nfs/dbraw/zinc/72/13/36/956721336.db2.gz NABZJZVJNYNGMK-ZBFHGGJFSA-N -1 0 345.439 3.577 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1cccc(Br)c1Cl ZINC001589217438 956735703 /nfs/dbraw/zinc/73/57/03/956735703.db2.gz JIKZBNCFOZJBCK-ZDUSSCGKSA-N -1 0 346.608 3.542 20 0 EHADRM Cc1csc(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1Cl ZINC000389189638 972211421 /nfs/dbraw/zinc/21/14/21/972211421.db2.gz MGFABXMMHBZTQN-LBPRGKRZSA-N -1 0 335.812 3.534 20 0 EHADRM CC1(C)[C@@H](CNC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)[C@@H]1c1ccccc1 ZINC001589238750 956851027 /nfs/dbraw/zinc/85/10/27/956851027.db2.gz ZPHUDVBAQZMXKL-GJZGRUSLSA-N -1 0 343.467 3.679 20 0 EHADRM O=C([O-])c1ccc(CSCC(=O)N2CCCc3ccccc32)cc1 ZINC000013066228 956922262 /nfs/dbraw/zinc/92/22/62/956922262.db2.gz MNVXOUPZCDLPQC-UHFFFAOYSA-N -1 0 341.432 3.597 20 0 EHADRM CCc1cccc(CC)c1NC(=O)COc1ccc(C(=O)[O-])cc1 ZINC000013079797 956931353 /nfs/dbraw/zinc/93/13/53/956931353.db2.gz UPLRYVLOOCKGKB-UHFFFAOYSA-N -1 0 327.380 3.527 20 0 EHADRM C[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000013176979 956957295 /nfs/dbraw/zinc/95/72/95/956957295.db2.gz SDUVNIOOSSWNGK-DYVFJYSZSA-N -1 0 329.371 3.652 20 0 EHADRM Cc1ccccc1SCC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000013176992 956957523 /nfs/dbraw/zinc/95/75/23/956957523.db2.gz RZPONRHGDJCPRJ-HNNXBMFYSA-N -1 0 347.411 3.558 20 0 EHADRM C[C@H](CC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000013176983 956957943 /nfs/dbraw/zinc/95/79/43/956957943.db2.gz SDUVNIOOSSWNGK-CXAGYDPISA-N -1 0 329.371 3.652 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000013179037 956961876 /nfs/dbraw/zinc/96/18/76/956961876.db2.gz WQWHSQDKTSZXKW-MRXNPFEDSA-N -1 0 331.799 3.523 20 0 EHADRM CCn1c(SCc2occc2C(=O)[O-])nnc1-c1ccccc1 ZINC000013256421 956994844 /nfs/dbraw/zinc/99/48/44/956994844.db2.gz MZNPVVGJIGAWRV-UHFFFAOYSA-N -1 0 329.381 3.549 20 0 EHADRM O=C([O-])C1(NC(=O)/C(F)=C\c2ccc(C(F)(F)F)cc2)CCCC1 ZINC001594726577 957011584 /nfs/dbraw/zinc/01/15/84/957011584.db2.gz HDHXKVUAESITCG-FMIVXFBMSA-N -1 0 345.292 3.529 20 0 EHADRM CC(C)(C)SCCCC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000909425613 957015994 /nfs/dbraw/zinc/01/59/94/957015994.db2.gz YVWOBYNVSJZXEP-HNNXBMFYSA-N -1 0 335.469 3.509 20 0 EHADRM Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC000909623462 957031940 /nfs/dbraw/zinc/03/19/40/957031940.db2.gz GBAYUPGOYAHTQJ-JKSUJKDBSA-N -1 0 343.810 3.589 20 0 EHADRM CC(C)Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000013389671 957042423 /nfs/dbraw/zinc/04/24/23/957042423.db2.gz LSQCOGKKMPGFGM-OAHLLOKOSA-N -1 0 331.437 3.892 20 0 EHADRM CC(C)Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000013389670 957042912 /nfs/dbraw/zinc/04/29/12/957042912.db2.gz LSQCOGKKMPGFGM-HNNXBMFYSA-N -1 0 331.437 3.892 20 0 EHADRM Cc1cc2nnc(SCc3occc3C(=O)[O-])n2c2ccccc12 ZINC000013416505 957057187 /nfs/dbraw/zinc/05/71/87/957057187.db2.gz FNRNMTFDXKBWFV-UHFFFAOYSA-N -1 0 339.376 3.774 20 0 EHADRM O=C([O-])CCCn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O ZINC000020376368 957140851 /nfs/dbraw/zinc/14/08/51/957140851.db2.gz KPTMAVGXMQJHHX-UHFFFAOYSA-N -1 0 348.811 3.643 20 0 EHADRM CCOC(=O)CN(Cc1ccc(C(=O)[O-])cc1)[C@H](C)c1ccccc1 ZINC001204159139 957251019 /nfs/dbraw/zinc/25/10/19/957251019.db2.gz XOXSKMNAKZFRML-OAHLLOKOSA-N -1 0 341.407 3.511 20 0 EHADRM O=C([O-])C1(NC(=O)CSCc2ccc(Cl)s2)CCCCC1 ZINC000037418903 957283566 /nfs/dbraw/zinc/28/35/66/957283566.db2.gz WAWUVZSNLOJWIU-UHFFFAOYSA-N -1 0 347.889 3.538 20 0 EHADRM CC(C)c1ccc(O[C@H](C)CNC(=O)[C@@H](C(=O)[O-])C2CCCC2)cc1 ZINC001603166473 972263444 /nfs/dbraw/zinc/26/34/44/972263444.db2.gz JOPGFXQMRIIAHB-KDOFPFPSSA-N -1 0 347.455 3.585 20 0 EHADRM C[C@H](CNC(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1)C(=O)[O-] ZINC001603175238 972274810 /nfs/dbraw/zinc/27/48/10/972274810.db2.gz MQNXSZYJPRUMEQ-ABAIWWIYSA-N -1 0 338.835 3.591 20 0 EHADRM Cc1cc(C)cc(OCC(=O)Oc2ccc(Cl)cc2C(=O)[O-])c1 ZINC000066143335 957640493 /nfs/dbraw/zinc/64/04/93/957640493.db2.gz VZOCLHNKZGLBIW-UHFFFAOYSA-N -1 0 334.755 3.639 20 0 EHADRM Cn1c2ccc(C(=O)[O-])cc2nc1-c1sccc1Br ZINC000068849848 957648488 /nfs/dbraw/zinc/64/84/88/957648488.db2.gz ABQPNYHBOAUDBX-UHFFFAOYSA-N -1 0 337.198 3.763 20 0 EHADRM Cc1cc(Br)c2ccccc2c1NC(=O)[C@@H](C)C(=O)[O-] ZINC001594271201 957676414 /nfs/dbraw/zinc/67/64/14/957676414.db2.gz DIKYKAAKRMOHND-SECBINFHSA-N -1 0 336.185 3.570 20 0 EHADRM Cc1cc([C@H](NC(=O)c2coc(/C=C\C(=O)[O-])c2)C2CC2)ccc1F ZINC001594293755 957845333 /nfs/dbraw/zinc/84/53/33/957845333.db2.gz NEWOLRSTDMHEPT-LZCIBIBXSA-N -1 0 343.354 3.706 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)Cc1coc2ccccc12 ZINC001574804611 957850939 /nfs/dbraw/zinc/85/09/39/957850939.db2.gz JTNKWZUARQWKIS-UHFFFAOYSA-N -1 0 335.359 3.653 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)C1 ZINC001339812928 957883029 /nfs/dbraw/zinc/88/30/29/957883029.db2.gz OLTKXGVDHVDHTN-CGTJXYLNSA-N -1 0 344.455 3.609 20 0 EHADRM CC(C)c1ccc(C[C@H](C)NC(=O)Nc2ccnc(C(=O)[O-])c2)cc1 ZINC001603199486 972302644 /nfs/dbraw/zinc/30/26/44/972302644.db2.gz FNIJSLORDZTJBU-ZDUSSCGKSA-N -1 0 341.411 3.656 20 0 EHADRM COc1cc(C)c(NC(=O)Nc2cccc(CC(=O)[O-])c2)cc1C ZINC001594054386 958016719 /nfs/dbraw/zinc/01/67/19/958016719.db2.gz CQZIDVYXARHTOI-UHFFFAOYSA-N -1 0 328.368 3.583 20 0 EHADRM O=C([O-])CC1(Cc2nnc(CCCc3cccs3)o2)CCCC1 ZINC000391071979 972315635 /nfs/dbraw/zinc/31/56/35/972315635.db2.gz WBYPSZQYLBOIEN-UHFFFAOYSA-N -1 0 334.441 3.884 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001603207555 972318152 /nfs/dbraw/zinc/31/81/52/972318152.db2.gz XXHFGBMFCWQWHL-BFUOFWGJSA-N -1 0 345.826 3.635 20 0 EHADRM Cc1cc(NC(=O)NCCc2ccc3[nH]ccc3c2)ccc1C(=O)[O-] ZINC001594318618 958099932 /nfs/dbraw/zinc/09/99/32/958099932.db2.gz MFTZIZQREYNNQG-UHFFFAOYSA-N -1 0 337.379 3.539 20 0 EHADRM COc1cc(NC(=O)Nc2cccc(CC(=O)[O-])c2)c(C)cc1C ZINC001594062519 958103926 /nfs/dbraw/zinc/10/39/26/958103926.db2.gz IWSSSDRCEDQKEW-UHFFFAOYSA-N -1 0 328.368 3.583 20 0 EHADRM Cc1cc(NC(=O)N2CCCc3ccccc3CC2)ccc1C(=O)[O-] ZINC001594318990 958105119 /nfs/dbraw/zinc/10/51/19/958105119.db2.gz CDYVBTMMXNPSBI-UHFFFAOYSA-N -1 0 338.407 3.716 20 0 EHADRM Cc1cc(NC(=O)N[C@H](CC(C)C)C(=O)[O-])cc(C(F)(F)F)c1 ZINC001594322860 958134384 /nfs/dbraw/zinc/13/43/84/958134384.db2.gz HPVMGEGKCSEIAP-GFCCVEGCSA-N -1 0 332.322 3.635 20 0 EHADRM Cc1cc(NC(=O)c2cc(C(=O)c3ccccc3)c[nH]2)ccc1C(=O)[O-] ZINC001594324638 958148571 /nfs/dbraw/zinc/14/85/71/958148571.db2.gz KNYYTBDIOATVPZ-UHFFFAOYSA-N -1 0 348.358 3.505 20 0 EHADRM Cc1cc(NC(=O)c2cc(N(C)C)c3ccccc3n2)ccc1C(=O)[O-] ZINC001594324907 958154972 /nfs/dbraw/zinc/15/49/72/958154972.db2.gz ZMDXCRCIIUPEDF-UHFFFAOYSA-N -1 0 349.390 3.560 20 0 EHADRM Cc1cc(O)c(C(C)C)cc1NC(=O)Nc1cncc(C(=O)[O-])c1 ZINC001594325349 958163525 /nfs/dbraw/zinc/16/35/25/958163525.db2.gz RKBFUJZMBUDXIB-UHFFFAOYSA-N -1 0 329.356 3.561 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)Nc2ncccc2C(=O)[O-])ccc1C(C)C ZINC001594327929 958188599 /nfs/dbraw/zinc/18/85/99/958188599.db2.gz FFJPHWOUMIXRJQ-CYBMUJFWSA-N -1 0 342.395 3.618 20 0 EHADRM Cc1cc2cc(NC(=O)N[C@@H](C(=O)[O-])c3ccc(F)cc3)ccc2[nH]1 ZINC001594331013 958217441 /nfs/dbraw/zinc/21/74/41/958217441.db2.gz DNWUNOGLPZPCAX-MRXNPFEDSA-N -1 0 341.342 3.563 20 0 EHADRM COc1cc(NC(=O)NC2(CC(=O)[O-])CCCCC2)ccc1Cl ZINC000391457652 972338475 /nfs/dbraw/zinc/33/84/75/972338475.db2.gz FXQBTHBFFSDOOV-UHFFFAOYSA-N -1 0 340.807 3.648 20 0 EHADRM Cc1sc(NC(=O)[C@H](C)C(=O)[O-])c(C(=O)c2ccc(C)cc2)c1C ZINC001594349721 958338857 /nfs/dbraw/zinc/33/88/57/958338857.db2.gz MTEBWHYKOHVZLR-NSHDSACASA-N -1 0 345.420 3.564 20 0 EHADRM Cc1ccc([C@@H](C)CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)cc1 ZINC001594350301 958345953 /nfs/dbraw/zinc/34/59/53/958345953.db2.gz YCGRRUUTDIEAJU-HOTGVXAUSA-N -1 0 334.460 3.535 20 0 EHADRM Cc1ccc(Br)cc1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000108655831 958377180 /nfs/dbraw/zinc/37/71/80/958377180.db2.gz FXJKACPYISFRHN-GHMZBOCLSA-N -1 0 340.217 3.587 20 0 EHADRM Cc1ccc(C2(NC(=O)NCc3ccc(C(=O)[O-])cc3)CCC2)cc1 ZINC001594353524 958385302 /nfs/dbraw/zinc/38/53/02/958385302.db2.gz QPYIIZJMUNFYHM-UHFFFAOYSA-N -1 0 338.407 3.572 20 0 EHADRM COc1ccc(NC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)c2ccccc12 ZINC001594106910 958477977 /nfs/dbraw/zinc/47/79/77/958477977.db2.gz ZXSNMOALSSDCGP-STQMWFEESA-N -1 0 342.395 3.565 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)Nc2ccccc2CC(=O)[O-])cc1C ZINC001594112029 958517948 /nfs/dbraw/zinc/51/79/48/958517948.db2.gz PXAMQUUHHXDBFZ-CYBMUJFWSA-N -1 0 342.395 3.513 20 0 EHADRM Cc1ccc(OC(=O)[C@H](C(=O)[O-])C2CCCC2)c(Br)c1 ZINC001594374006 958573167 /nfs/dbraw/zinc/57/31/67/958573167.db2.gz ACVMMWFYXOKDJO-ZDUSSCGKSA-N -1 0 341.201 3.554 20 0 EHADRM O=C([O-])c1ccc(COc2c(F)cc(F)cc2Br)o1 ZINC000126268373 958584208 /nfs/dbraw/zinc/58/42/08/958584208.db2.gz VLTDWFYADAPPDA-UHFFFAOYSA-N -1 0 333.084 3.598 20 0 EHADRM COc1ccc2cc(/C=C\C(=O)Nc3cccnc3C(=O)[O-])ccc2c1 ZINC001594118675 958584420 /nfs/dbraw/zinc/58/44/20/958584420.db2.gz XMBIKUKXAXNOJZ-UITAMQMPSA-N -1 0 348.358 3.594 20 0 EHADRM Cc1ccc(Oc2ccc(C(=O)Nc3cccnc3C(=O)[O-])nc2)cc1 ZINC001594376041 958589372 /nfs/dbraw/zinc/58/93/72/958589372.db2.gz UBUYAQJKVLJXAC-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM CC(=O)c1ccc(CC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)cc1 ZINC001573360492 958591192 /nfs/dbraw/zinc/59/11/92/958591192.db2.gz UGKREESVVQQVDV-UHFFFAOYSA-N -1 0 349.745 3.561 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)CCCn1ccc2cc(Cl)ccc21)C1CC1 ZINC001573373280 958644110 /nfs/dbraw/zinc/64/41/10/958644110.db2.gz DMNMVPGMPJCZGG-LBPRGKRZSA-N -1 0 348.830 3.539 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC001573391021 958699014 /nfs/dbraw/zinc/69/90/14/958699014.db2.gz QFYVOBZPXRJGRM-RHSMWYFYSA-N -1 0 342.439 3.621 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)/C=C/c1ccc2ccccc2n1)C(=O)[O-] ZINC001573394188 958708121 /nfs/dbraw/zinc/70/81/21/958708121.db2.gz BHDXBBAMCGCXOM-DVQDXYAYSA-N -1 0 340.423 3.644 20 0 EHADRM Cc1cccc([C@H](C)CNC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC001594390445 958708392 /nfs/dbraw/zinc/70/83/92/958708392.db2.gz QXBXTFLHHNFCHL-NVXWUHKLSA-N -1 0 332.444 3.527 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)N[C@H](c1ccccc1)C(F)F)C(=O)[O-] ZINC001573394910 958713119 /nfs/dbraw/zinc/71/31/19/958713119.db2.gz ILQFOSRKXRUCBD-CHWSQXEVSA-N -1 0 342.386 3.572 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)/C=C/c1nc2ccccc2s1)C(=O)[O-] ZINC001573395794 958717723 /nfs/dbraw/zinc/71/77/23/958717723.db2.gz OYRLGNHQIVYWEL-MMQHEFTJSA-N -1 0 346.452 3.705 20 0 EHADRM COc1ccccc1[C@H](CC(C)C)OC(=O)c1ccc(C(=O)[O-])cn1 ZINC001594140170 958730040 /nfs/dbraw/zinc/73/00/40/958730040.db2.gz CFAMPDSIHJRQLM-KRWDZBQOSA-N -1 0 343.379 3.733 20 0 EHADRM CCOc1ccccc1C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000391811996 972378088 /nfs/dbraw/zinc/37/80/88/972378088.db2.gz GQXQKBMOJZYTBX-UHFFFAOYSA-N -1 0 345.420 3.976 20 0 EHADRM CC(C)(C)Oc1cccc(COC(=O)[C@@]2(C(=O)[O-])CC=CCC2)c1 ZINC001573458299 958917028 /nfs/dbraw/zinc/91/70/28/958917028.db2.gz YXHMFWVIMDNYSN-IBGZPJMESA-N -1 0 332.396 3.718 20 0 EHADRM CCCCCCO[C@@H](C)C(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC000138304758 958949507 /nfs/dbraw/zinc/94/95/07/958949507.db2.gz GMDJLEKPXADIEA-NSHDSACASA-N -1 0 328.792 3.929 20 0 EHADRM Cc1cccc2[nH]cc(CCNC(=O)C3(C(=O)[O-])CCCCCC3)c21 ZINC001594411216 958949921 /nfs/dbraw/zinc/94/99/21/958949921.db2.gz NKZACQUPBUGHEC-UHFFFAOYSA-N -1 0 342.439 3.560 20 0 EHADRM C[C@@H](C(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC001588548524 959006925 /nfs/dbraw/zinc/00/69/25/959006925.db2.gz PRWMBIXNMNOYMY-NEPJUHHUSA-N -1 0 343.345 3.522 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1nc(/C=C/c2ccccc2)cs1 ZINC001573489894 959009573 /nfs/dbraw/zinc/00/95/73/959009573.db2.gz LJCBTYUXGFQHPR-VFNNOXKTSA-N -1 0 330.409 3.609 20 0 EHADRM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000391958237 972394822 /nfs/dbraw/zinc/39/48/22/972394822.db2.gz KCCPDLVGGOCMGF-LLVKDONJSA-N -1 0 330.306 3.580 20 0 EHADRM CC(C)[C@@H](NC(=O)c1coc(/C=C/C(=O)[O-])c1)c1ccccc1F ZINC001573498618 959041560 /nfs/dbraw/zinc/04/15/60/959041560.db2.gz FELJOGVBJIJSJT-IWAYRVGRSA-N -1 0 331.343 3.644 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000392084351 972407632 /nfs/dbraw/zinc/40/76/32/972407632.db2.gz XOCPCPNCXGSNRX-RFSXOUPVSA-N -1 0 333.472 3.837 20 0 EHADRM CC(C)COc1cccc(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)c1 ZINC001573525043 959142861 /nfs/dbraw/zinc/14/28/61/959142861.db2.gz UDXCZMSFDBDQTA-CLFYSBASSA-N -1 0 329.352 3.665 20 0 EHADRM CSc1cc(F)ccc1NC(=O)NCc1ccccc1C(=O)[O-] ZINC001594190257 959169256 /nfs/dbraw/zinc/16/92/56/959169256.db2.gz VBXMCDGIDUPCFW-UHFFFAOYSA-N -1 0 334.372 3.568 20 0 EHADRM CSc1ccc(/C=C/C(=O)NC[C@H](CC(=O)[O-])CC(C)C)s1 ZINC001594194336 959187260 /nfs/dbraw/zinc/18/72/60/959187260.db2.gz INMIPCCSDGVTCE-FUEXJSSKSA-N -1 0 341.498 3.736 20 0 EHADRM CC(C)Sc1ccc(COC(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC001573553931 959244188 /nfs/dbraw/zinc/24/41/88/959244188.db2.gz TWSIYXWVFPZRAW-UHFFFAOYSA-N -1 0 331.393 3.637 20 0 EHADRM CC(C)c1ccc(CCNC(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC001573567029 959293039 /nfs/dbraw/zinc/29/30/39/959293039.db2.gz QIAHEJFSKRBMQO-UHFFFAOYSA-N -1 0 340.423 3.550 20 0 EHADRM Cc1cccc(NC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)c1Cl ZINC000392164089 972418286 /nfs/dbraw/zinc/41/82/86/972418286.db2.gz CSHNYFUAWITSPN-CQSZACIVSA-N -1 0 344.798 3.864 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1 ZINC000168180936 959372621 /nfs/dbraw/zinc/37/26/21/959372621.db2.gz SMJLQIKWCHHPSF-UHFFFAOYSA-N -1 0 339.178 3.658 20 0 EHADRM Cc1cc(Cl)ccc1NC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000392212647 972428007 /nfs/dbraw/zinc/42/80/07/972428007.db2.gz ZVJJMMKLTYTMLP-OAHLLOKOSA-N -1 0 344.798 3.864 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)c3cc(C(=O)[O-])co3)c2)oc1C ZINC000183770490 959450016 /nfs/dbraw/zinc/45/00/16/959450016.db2.gz CUIZWHKHMLQMRT-UHFFFAOYSA-N -1 0 326.308 3.502 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1cc(C(=O)[O-])co1 ZINC000183813167 959451741 /nfs/dbraw/zinc/45/17/41/959451741.db2.gz LYTJTLGFOIKDGB-WDEREUQCSA-N -1 0 335.787 3.895 20 0 EHADRM CCCC[C@H](NC(=O)c1sc2ccc(OC)cc2c1C)C(=O)[O-] ZINC000184970611 959482978 /nfs/dbraw/zinc/48/29/78/959482978.db2.gz POXIQBNSUFFNMW-ZDUSSCGKSA-N -1 0 335.425 3.592 20 0 EHADRM CC(C)(C(=O)NC1CCC(C(=O)[O-])CC1)c1cccc(Cl)c1F ZINC001588609880 959500513 /nfs/dbraw/zinc/50/05/13/959500513.db2.gz HOWUJFXMRYCJQT-UHFFFAOYSA-N -1 0 341.810 3.516 20 0 EHADRM Cc1cc(C)c(CC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)c(C)c1 ZINC000190492193 959512757 /nfs/dbraw/zinc/51/27/57/959512757.db2.gz LXQQXBBQJJSVHS-SFHVURJKSA-N -1 0 343.398 3.626 20 0 EHADRM CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)CC(C)(C)CC(=O)[O-] ZINC000190651417 959516332 /nfs/dbraw/zinc/51/63/32/959516332.db2.gz JQJOKQFQYLJIGJ-ZDUSSCGKSA-N -1 0 345.443 3.685 20 0 EHADRM Cc1oc(CNC(=O)C[C@H](C)Cc2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000190925120 959529895 /nfs/dbraw/zinc/52/98/95/959529895.db2.gz YPEZGOIDWWKBPU-LLVKDONJSA-N -1 0 349.814 3.825 20 0 EHADRM CC[C@H]1CN(C(=O)CC(C)(C)CC(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000191139079 959541735 /nfs/dbraw/zinc/54/17/35/959541735.db2.gz BETJQDIZRDNDOP-RDJZCZTQSA-N -1 0 331.456 3.920 20 0 EHADRM C[C@H](CC(=O)Nc1cc(C(=O)[O-])cs1)c1ccc(F)cc1F ZINC000191351053 959554757 /nfs/dbraw/zinc/55/47/57/959554757.db2.gz FHKQQDGNFQYOPN-MRVPVSSYSA-N -1 0 325.336 3.857 20 0 EHADRM Cc1cc(C(=O)Nc2cc(C(=O)[O-])cs2)nn1-c1ccc(C)cc1 ZINC000191344629 959555307 /nfs/dbraw/zinc/55/53/07/959555307.db2.gz KWQQWUKDGGQKGT-UHFFFAOYSA-N -1 0 341.392 3.501 20 0 EHADRM Cc1cc(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)sc1C ZINC000191524428 959577746 /nfs/dbraw/zinc/57/77/46/959577746.db2.gz GYTRFSGOZOAIPI-OAHLLOKOSA-N -1 0 331.437 3.571 20 0 EHADRM Cc1cc(C)cc([C@@H]2CCN(C(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)C2)c1 ZINC000191685365 959590401 /nfs/dbraw/zinc/59/04/01/959590401.db2.gz SAVIMEUFRHDLEJ-IXDOHACOSA-N -1 0 329.440 3.510 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)[C@@H](C)c1ccccc1)C(=O)[O-] ZINC000192851702 959592836 /nfs/dbraw/zinc/59/28/36/959592836.db2.gz GZMBUTLGVSOGPA-HOTGVXAUSA-N -1 0 325.408 3.540 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)c1ccccc1 ZINC000192860108 959592966 /nfs/dbraw/zinc/59/29/66/959592966.db2.gz DNYMJFGNDCHJGH-CYBMUJFWSA-N -1 0 327.380 3.914 20 0 EHADRM Cc1oc(CN(C)C(=O)c2ccc(C3CCC3)cc2)cc1C(=O)[O-] ZINC000192873771 959595100 /nfs/dbraw/zinc/59/51/00/959595100.db2.gz WKCMGXSUWGUIQF-UHFFFAOYSA-N -1 0 327.380 3.826 20 0 EHADRM C[C@@H](c1ccc(C(=O)Nc2ccc(C(=O)[O-])cn2)cc1)C(F)(F)F ZINC001573642989 959625277 /nfs/dbraw/zinc/62/52/77/959625277.db2.gz LZBSXHCHNQZPMM-VIFPVBQESA-N -1 0 338.285 3.698 20 0 EHADRM CC1(C)C=Cc2cccc(NC(=O)N3CCC[C@@H](CC(=O)[O-])C3)c2O1 ZINC001573665361 959690861 /nfs/dbraw/zinc/69/08/61/959690861.db2.gz VVTZPLVDFLKZAX-ZDUSSCGKSA-N -1 0 344.411 3.589 20 0 EHADRM CC1(C)CCC(C(=O)Nc2sc3c(c2C(=O)[O-])COCC3)CC1 ZINC001573667626 959706289 /nfs/dbraw/zinc/70/62/89/959706289.db2.gz JTABKSVKFGPZFL-UHFFFAOYSA-N -1 0 337.441 3.674 20 0 EHADRM Cc1c(Cl)cc(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1Cl ZINC001594263108 959717721 /nfs/dbraw/zinc/71/77/21/959717721.db2.gz VTFCUKDFIQHYHK-BDAKNGLRSA-N -1 0 331.199 3.677 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)/C=C\c1cc(Cl)cc(Cl)c1 ZINC000213583143 959723297 /nfs/dbraw/zinc/72/32/97/959723297.db2.gz TWAZIMNBCFCVHJ-ARJAWSKDSA-N -1 0 330.211 3.576 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)[C@@H]1CC(C)(C)Oc2ccccc21)C(=O)[O-] ZINC001588644978 959725346 /nfs/dbraw/zinc/72/53/46/959725346.db2.gz GSPLVBZVBZIGGE-HUUCEWRRSA-N -1 0 347.455 3.727 20 0 EHADRM Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)ccc1Cl ZINC000216702680 959766182 /nfs/dbraw/zinc/76/61/82/959766182.db2.gz HMGYCUXYYHIAAG-HZPDHXFCSA-N -1 0 343.810 3.589 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc(C(C)(C)C)c(F)c2)C1 ZINC001573700713 959830477 /nfs/dbraw/zinc/83/04/77/959830477.db2.gz ZDLUEIAXRUPNNC-NEPJUHHUSA-N -1 0 336.407 3.698 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2coc(/C=C\C(=O)[O-])c2)C1 ZINC001573701798 959837893 /nfs/dbraw/zinc/83/78/93/959837893.db2.gz SAKADAXBDSPJFD-XQSVNDDMSA-N -1 0 325.364 3.601 20 0 EHADRM C[C@@H]1CCCN(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)[C@H]1C(=O)[O-] ZINC001573723203 959883971 /nfs/dbraw/zinc/88/39/71/959883971.db2.gz PFUMRSQERKGOIU-VICKLXILSA-N -1 0 329.440 3.709 20 0 EHADRM Cc1nc(Sc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])oc1C ZINC000226903775 959911020 /nfs/dbraw/zinc/91/10/20/959911020.db2.gz SRWCIYQUFBKDHC-UHFFFAOYSA-N -1 0 328.733 3.702 20 0 EHADRM Cc1sc(CN[C@H](C(=O)[O-])c2ccccc2)cc1Br ZINC000227825118 959970461 /nfs/dbraw/zinc/97/04/61/959970461.db2.gz PMGFPBOVNQAMDC-ZDUSSCGKSA-N -1 0 340.242 3.735 20 0 EHADRM COc1cccc2c1ccnc2N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000392386709 972478814 /nfs/dbraw/zinc/47/88/14/972478814.db2.gz JFLGDOWAUOHLMV-ZDUSSCGKSA-N -1 0 328.412 3.571 20 0 EHADRM C[C@H](NC(=O)c1cc(Br)cc(C(=O)[O-])c1)c1ccccc1 ZINC000231279800 960195170 /nfs/dbraw/zinc/19/51/70/960195170.db2.gz KTKWSHORSUHYHK-JTQLQIEISA-N -1 0 348.196 3.638 20 0 EHADRM O=C([O-])[C@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])c2ccccc21 ZINC000392471060 972489362 /nfs/dbraw/zinc/48/93/62/972489362.db2.gz UAQBGSUARLDYLO-AWEZNQCLSA-N -1 0 346.770 3.827 20 0 EHADRM C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)NCCC(C)(C)C(=O)[O-] ZINC001573725325 960398705 /nfs/dbraw/zinc/39/87/05/960398705.db2.gz CVWWUWZURNZLMC-CZUORRHYSA-N -1 0 332.444 3.500 20 0 EHADRM C[C@H]1CCCN(Cc2nc3cc(C(F)(F)F)ccc3o2)[C@@H]1C(=O)[O-] ZINC001573725642 960401542 /nfs/dbraw/zinc/40/15/42/960401542.db2.gz FBOQBUGXDMAHRO-XPTSAGLGSA-N -1 0 342.317 3.532 20 0 EHADRM COc1cccc(C[C@@H](C)CC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC001574231773 960409049 /nfs/dbraw/zinc/40/90/49/960409049.db2.gz AOCYYIQABGMYEL-RHSMWYFYSA-N -1 0 349.471 3.660 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1ccc(Br)cc1Cl ZINC000235359605 960422113 /nfs/dbraw/zinc/42/21/13/960422113.db2.gz NHHGXFLQKYLLKK-NXEZZACHSA-N -1 0 346.652 3.788 20 0 EHADRM C[C@H]1CCCN(C(=O)c2csc(C3CCCCC3)n2)[C@@H]1C(=O)[O-] ZINC001573728855 960424781 /nfs/dbraw/zinc/42/47/81/960424781.db2.gz YVICFLVUCBQQIP-FZMZJTMJSA-N -1 0 336.457 3.516 20 0 EHADRM C[C@@H]1CCCN(C(=O)c2csc(C3CCCCC3)n2)[C@H]1C(=O)[O-] ZINC001573728851 960425470 /nfs/dbraw/zinc/42/54/70/960425470.db2.gz YVICFLVUCBQQIP-BXUZGUMPSA-N -1 0 336.457 3.516 20 0 EHADRM C[C@@H]1Cc2c(C(=O)[O-])c(NC(=O)Cc3ccccc3)sc2[C@H](C)O1 ZINC001573747590 960508513 /nfs/dbraw/zinc/50/85/13/960508513.db2.gz QDLZUQPCDJAOHU-MNOVXSKESA-N -1 0 345.420 3.650 20 0 EHADRM O=C([O-])CC1CCN(Cc2ccc(Br)c(Cl)c2)CC1 ZINC000236421347 960573502 /nfs/dbraw/zinc/57/35/02/960573502.db2.gz WZKLWYHZWWJOTN-UHFFFAOYSA-N -1 0 346.652 3.789 20 0 EHADRM CCC(=O)c1ccc(Cl)c(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)c1 ZINC001573758491 960585751 /nfs/dbraw/zinc/58/57/51/960585751.db2.gz JXJUIRNPWXLBGR-KRWDZBQOSA-N -1 0 335.787 3.682 20 0 EHADRM C/C=C/C[C@@H]1CCCN(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)C1 ZINC001573760176 960608139 /nfs/dbraw/zinc/60/81/39/960608139.db2.gz WSQXLLLQSGTZAL-AKHFAJMCSA-N -1 0 342.439 3.687 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)c1cccc(Br)c1F ZINC000236463157 960636756 /nfs/dbraw/zinc/63/67/56/960636756.db2.gz IICCJRYXNKGKSH-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccoc2Cl)ccc1Br ZINC000236466627 960642028 /nfs/dbraw/zinc/64/20/28/960642028.db2.gz PGEUHPXEMLCGJZ-UHFFFAOYSA-N -1 0 344.548 3.646 20 0 EHADRM Cc1c(F)c(C(F)(F)F)ccc1C(=O)NCCCCCC(=O)[O-] ZINC001574296956 960698765 /nfs/dbraw/zinc/69/87/65/960698765.db2.gz UHIOOUUKSGIJIB-UHFFFAOYSA-N -1 0 335.297 3.528 20 0 EHADRM CCOc1ccc(NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1F ZINC000392810920 972526304 /nfs/dbraw/zinc/52/63/04/972526304.db2.gz LSIOLKOWWGBPBI-UHFFFAOYSA-N -1 0 346.358 3.587 20 0 EHADRM CC(C)Oc1ccc(Cl)cc1C(=O)NCCCCCC(=O)[O-] ZINC000236650029 960724116 /nfs/dbraw/zinc/72/41/16/960724116.db2.gz OHAOFRALEFUDDU-UHFFFAOYSA-N -1 0 327.808 3.502 20 0 EHADRM CC(C)[C@@H](CC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000236669370 960728016 /nfs/dbraw/zinc/72/80/16/960728016.db2.gz ZJXDPVOUEJBRTO-SJLPKXTDSA-N -1 0 331.456 3.920 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000236673388 960729970 /nfs/dbraw/zinc/72/99/70/960729970.db2.gz IQXMGSUVKMECSV-QZTJIDSGSA-N -1 0 325.408 3.513 20 0 EHADRM CC(C)c1ccc(CN(C(=O)c2ccc(C(=O)[O-])o2)C2CC2)cc1 ZINC000236711703 960739274 /nfs/dbraw/zinc/73/92/74/960739274.db2.gz ORXZLNGAXCTTNU-UHFFFAOYSA-N -1 0 327.380 3.906 20 0 EHADRM CC(C)(Oc1cccc(Cl)c1)C(=O)NCCCCCCC(=O)[O-] ZINC000236713508 960739318 /nfs/dbraw/zinc/73/93/18/960739318.db2.gz GIAILIWIGZIOHR-UHFFFAOYSA-N -1 0 341.835 3.649 20 0 EHADRM C[C@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1nc(C(C)(C)C)cs1 ZINC001261844053 960770961 /nfs/dbraw/zinc/77/09/61/960770961.db2.gz ZVJKJIAMFQMHDM-PCGIRMHASA-N -1 0 348.424 3.622 20 0 EHADRM CCCC[C@@H](NC(=O)c1ccccc1Cc1ccccc1)C(=O)[O-] ZINC000236853531 960773876 /nfs/dbraw/zinc/77/38/76/960773876.db2.gz QMCDTYPKBFEOQK-GOSISDBHSA-N -1 0 325.408 3.651 20 0 EHADRM CCC[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000236846812 960774476 /nfs/dbraw/zinc/77/44/76/960774476.db2.gz XUNZGBURRVXUOI-ZWNOBZJWSA-N -1 0 342.233 3.517 20 0 EHADRM CCC(CC)(CNC(=O)[C@@H](C)Sc1ccccc1Cl)C(=O)[O-] ZINC000236855758 960777546 /nfs/dbraw/zinc/77/75/46/960777546.db2.gz SLJWPCRUVCWQHZ-LLVKDONJSA-N -1 0 343.876 3.828 20 0 EHADRM Cc1ccc(NC(=O)c2nc(C(C)C)ncc2Cl)c(C(=O)[O-])c1 ZINC000236867363 960785424 /nfs/dbraw/zinc/78/54/24/960785424.db2.gz GECWZXPTVKDLHH-UHFFFAOYSA-N -1 0 333.775 3.512 20 0 EHADRM CCCc1ccc(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)cc1 ZINC000236916796 960798073 /nfs/dbraw/zinc/79/80/73/960798073.db2.gz ZGXSOGGVGDWVQT-UHFFFAOYSA-N -1 0 327.380 3.745 20 0 EHADRM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccnc(C(=O)[O-])c2)o1 ZINC000236973257 960819458 /nfs/dbraw/zinc/81/94/58/960819458.db2.gz HHQCKYOWOHRHDC-WBMJQRKESA-N -1 0 342.395 3.549 20 0 EHADRM CCC[C@@](C)(NC(=O)c1ccc(SC(F)(F)F)cc1)C(=O)[O-] ZINC000236973789 960819773 /nfs/dbraw/zinc/81/97/73/960819773.db2.gz JWCAVSXSHAIQCC-CYBMUJFWSA-N -1 0 335.347 3.672 20 0 EHADRM CCC[C@@](C)(NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC000236980887 960822876 /nfs/dbraw/zinc/82/28/76/960822876.db2.gz KVYHEIYUQNIBRB-LJQANCHMSA-N -1 0 327.380 3.852 20 0 EHADRM CCC[C@H](NC(=O)c1csc(-c2ccc(Cl)s2)n1)C(=O)[O-] ZINC000237024621 960840470 /nfs/dbraw/zinc/84/04/70/960840470.db2.gz PJYLRBWCHUEAER-ZETCQYMHSA-N -1 0 344.845 3.508 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000237025300 960840538 /nfs/dbraw/zinc/84/05/38/960840538.db2.gz KQEVOIMCCSFGCR-ZBFHGGJFSA-N -1 0 335.469 3.661 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000237063352 960859976 /nfs/dbraw/zinc/85/99/76/960859976.db2.gz KTXVIQIQKRAQPG-CQSZACIVSA-N -1 0 327.380 3.804 20 0 EHADRM CC[C@H](NC(=O)c1csc(-c2ccc(C(C)C)cc2)n1)C(=O)[O-] ZINC000237067620 960862605 /nfs/dbraw/zinc/86/26/05/960862605.db2.gz JYBQGVGZRNKFII-ZDUSSCGKSA-N -1 0 332.425 3.527 20 0 EHADRM CSc1ccc(C)c(C(=O)N[C@H](CC(=O)[O-])c2cccs2)c1 ZINC000237317289 960909924 /nfs/dbraw/zinc/90/99/24/960909924.db2.gz NYGIYKHWCJZNPS-CYBMUJFWSA-N -1 0 335.450 3.724 20 0 EHADRM COc1cc(CNC(=O)[C@@H](C)CC2CCCCC2)ccc1C(=O)[O-] ZINC000237345781 960914365 /nfs/dbraw/zinc/91/43/65/960914365.db2.gz IJLZTVIUVIGIBW-ZDUSSCGKSA-N -1 0 333.428 3.616 20 0 EHADRM Cc1c(F)cccc1NC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000237384654 960925596 /nfs/dbraw/zinc/92/55/96/960925596.db2.gz RJHCWLXPQIGQQT-LLVKDONJSA-N -1 0 333.384 3.952 20 0 EHADRM Cc1cc(NC(=O)Nc2cnc3c(c2)CCCC3)ccc1C(=O)[O-] ZINC001574341494 960942052 /nfs/dbraw/zinc/94/20/52/960942052.db2.gz WGJPKIDXJUQBLY-UHFFFAOYSA-N -1 0 325.368 3.611 20 0 EHADRM Cc1cc(O[C@@H](C)C(=O)Nc2ccc(C(=O)[O-])cn2)ccc1C(C)C ZINC001574343077 960945158 /nfs/dbraw/zinc/94/51/58/960945158.db2.gz AVBWHUPKNVIGNM-ZDUSSCGKSA-N -1 0 342.395 3.618 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)ccc1C(C)C ZINC001574343234 960947834 /nfs/dbraw/zinc/94/78/34/960947834.db2.gz KHBVYTWKLZGVHZ-OAGGEKHMSA-N -1 0 347.455 3.597 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)NC[C@@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000237581533 960967605 /nfs/dbraw/zinc/96/76/05/960967605.db2.gz ZDKARIPMKYFBDK-MGPQQGTHSA-N -1 0 335.469 3.808 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000237618390 960975881 /nfs/dbraw/zinc/97/58/81/960975881.db2.gz KARKGAMSEPEOIM-CQSZACIVSA-N -1 0 343.448 3.665 20 0 EHADRM Cc1cccc(CSCC(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC000237644428 960983864 /nfs/dbraw/zinc/98/38/64/960983864.db2.gz SMOSMPBJHZACFY-UHFFFAOYSA-N -1 0 329.421 3.874 20 0 EHADRM CCC1(c2ccc(Cl)cc2)CCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])CC1 ZINC001573829506 960999203 /nfs/dbraw/zinc/99/92/03/960999203.db2.gz ZGGGHYXLPRPHBJ-HZPDHXFCSA-N -1 0 349.858 3.721 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc3cc(C)ccc3[nH]2)cc1 ZINC001322656289 961008571 /nfs/dbraw/zinc/00/85/71/961008571.db2.gz HUXSIMCTPOWPTF-QGZVFWFLSA-N -1 0 336.391 3.731 20 0 EHADRM CC[C@H]1CCc2c(sc(NC(=O)CC(C)(C)OC)c2C(=O)[O-])C1 ZINC001573830578 961013449 /nfs/dbraw/zinc/01/34/49/961013449.db2.gz RVFBMKUKQKJYDP-JTQLQIEISA-N -1 0 339.457 3.715 20 0 EHADRM Cc1ccc(SCCC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1C ZINC000237766494 961019639 /nfs/dbraw/zinc/01/96/39/961019639.db2.gz GCRMIQYCONVECE-INIZCTEOSA-N -1 0 349.496 3.889 20 0 EHADRM Cc1cc2[nH]c(C(=O)Nc3ccc4[nH]nc(C(=O)[O-])c4c3)cc2c(C)c1 ZINC000237773176 961022198 /nfs/dbraw/zinc/02/21/98/961022198.db2.gz MVAVYPUTIYKWPC-UHFFFAOYSA-N -1 0 348.362 3.612 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000237792397 961026491 /nfs/dbraw/zinc/02/64/91/961026491.db2.gz SFDLAQLAGXDZQW-ZIAGYGMSSA-N -1 0 345.420 3.571 20 0 EHADRM Cc1ccc(C=Cc2nc(SCCC3(C(=O)[O-])CCC3)n[nH]2)o1 ZINC001574361454 961026859 /nfs/dbraw/zinc/02/68/59/961026859.db2.gz KZROJKKXZYGCNG-WAYWQWQTSA-N -1 0 333.413 3.614 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cc(F)c(Cl)cc2Cl)C1 ZINC000237953306 961052294 /nfs/dbraw/zinc/05/22/94/961052294.db2.gz IFJUZKQAHCIZGK-VIFPVBQESA-N -1 0 348.201 3.850 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2c(F)cccc2F)C2CCCC2)o1 ZINC000237969772 961057608 /nfs/dbraw/zinc/05/76/08/961057608.db2.gz JYXRXMFTFJEMPI-UHFFFAOYSA-N -1 0 349.333 3.841 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001574368912 961062533 /nfs/dbraw/zinc/06/25/33/961062533.db2.gz ILDDFVLYQRETOT-CQSZACIVSA-N -1 0 336.750 3.735 20 0 EHADRM Cc1ccc(N(CC(C)C)C(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)c(C)c1 ZINC001574369481 961069928 /nfs/dbraw/zinc/06/99/28/961069928.db2.gz XZNJBABOFCLLAZ-IRXDYDNUSA-N -1 0 347.455 3.562 20 0 EHADRM CCC[C@@H]1[C@@H](C)CCCN1C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001573840904 961070942 /nfs/dbraw/zinc/07/09/42/961070942.db2.gz JSSLHEMOWCAUKH-XAUMDUMWSA-N -1 0 346.471 3.639 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2cc(F)c(Cl)cc2Cl)C1 ZINC000238004829 961072639 /nfs/dbraw/zinc/07/26/39/961072639.db2.gz IFJUZKQAHCIZGK-SECBINFHSA-N -1 0 348.201 3.850 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCC2(c3ccc(Cl)cc3)CCCC2)o1 ZINC000238008778 961073771 /nfs/dbraw/zinc/07/37/71/961073771.db2.gz JEFYGKOKBBDFQC-UHFFFAOYSA-N -1 0 347.798 3.873 20 0 EHADRM CC(C)c1oc(-c2ccccc2)nc1C(=O)NCCC(C)(C)C(=O)[O-] ZINC001326203862 961075231 /nfs/dbraw/zinc/07/52/31/961075231.db2.gz KMNIUNMYYNQRLB-UHFFFAOYSA-N -1 0 344.411 3.696 20 0 EHADRM CCCCc1ccc(CC(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001573848032 961104344 /nfs/dbraw/zinc/10/43/44/961104344.db2.gz GEIMSQFCIRRNDQ-LJQANCHMSA-N -1 0 343.398 3.653 20 0 EHADRM CC(C)(C)O[C@@H]1C[C@@H](NC(=O)Nc2ccccc2C(=O)[O-])C12CCC2 ZINC001588733555 961112542 /nfs/dbraw/zinc/11/25/42/961112542.db2.gz VUUSNEPJVPYNSW-HUUCEWRRSA-N -1 0 346.427 3.633 20 0 EHADRM CCc1cc(OCC(=O)Nc2cccc(C(=O)[O-])c2)ccc1Cl ZINC001326596758 961114597 /nfs/dbraw/zinc/11/45/97/961114597.db2.gz ZROSKNUYGISCPK-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM CCCCOc1ccc(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])c(Cl)c1 ZINC001573849107 961119463 /nfs/dbraw/zinc/11/94/63/961119463.db2.gz LRFULHKMPILTMZ-HIFRSBDPSA-N -1 0 339.819 3.502 20 0 EHADRM CCCN(Cc1ccccc1F)C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001573856731 961148873 /nfs/dbraw/zinc/14/88/73/961148873.db2.gz BPAFVMDRYMGZBW-BQYQJAHWSA-N -1 0 331.343 3.569 20 0 EHADRM O=C([O-])[C@H](c1ccccc1Cl)N1CCO[C@@H](c2ccccc2)C1 ZINC001327323636 961154323 /nfs/dbraw/zinc/15/43/23/961154323.db2.gz OMVMGGZHMFTKCM-SJORKVTESA-N -1 0 331.799 3.539 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001574389044 961155338 /nfs/dbraw/zinc/15/53/38/961155338.db2.gz JNMHYKJXVGUYQV-UONOGXRCSA-N -1 0 331.318 3.714 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)no2)c1 ZINC000238226603 961166110 /nfs/dbraw/zinc/16/61/10/961166110.db2.gz MLJSMTAFNNUSCK-UHFFFAOYSA-N -1 0 342.738 3.946 20 0 EHADRM CCCc1ccc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])s1 ZINC001573864284 961181427 /nfs/dbraw/zinc/18/14/27/961181427.db2.gz AVSZJIMSZZSBOX-MRXNPFEDSA-N -1 0 329.421 3.525 20 0 EHADRM O=C([O-])CCCCCNC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000243610094 961182092 /nfs/dbraw/zinc/18/20/92/961182092.db2.gz OXUCTTKXKVZGAQ-UHFFFAOYSA-N -1 0 335.256 3.925 20 0 EHADRM O=C([O-])[C@@H](c1ccccc1Cl)N1CCO[C@H](c2ccccc2F)C1 ZINC001328739759 961221351 /nfs/dbraw/zinc/22/13/51/961221351.db2.gz KKWRVAHSSYJZHA-DLBZAZTESA-N -1 0 349.789 3.678 20 0 EHADRM Cc1ccccc1C1(C(=O)NC[C@@H](C(=O)[O-])C(C)C)CCCCC1 ZINC001574401443 961231637 /nfs/dbraw/zinc/23/16/37/961231637.db2.gz HJCQVUOPGALBHD-MRXNPFEDSA-N -1 0 331.456 3.670 20 0 EHADRM CN(C(=O)CCc1ccc(-c2ccccc2F)o1)C(C)(C)CC(=O)[O-] ZINC001328914564 961234932 /nfs/dbraw/zinc/23/49/32/961234932.db2.gz YGCVCHLZKQAXCU-UHFFFAOYSA-N -1 0 347.386 3.730 20 0 EHADRM Cc1ccccc1Oc1ccccc1CNC(=O)[C@H](C(=O)[O-])C1CC1 ZINC001574404331 961253976 /nfs/dbraw/zinc/25/39/76/961253976.db2.gz GBEMMRZRPVJUPR-GOSISDBHSA-N -1 0 339.391 3.514 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2cccc(-c3nccs3)c2)C1 ZINC000261897074 961396848 /nfs/dbraw/zinc/39/68/48/961396848.db2.gz OJTNTVDOZXPPQG-DGCLKSJQSA-N -1 0 330.409 3.640 20 0 EHADRM CC(C)[C@@H](C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000262084619 961445597 /nfs/dbraw/zinc/44/55/97/961445597.db2.gz BVIJHAZVORLACL-RTBURBONSA-N -1 0 337.419 3.637 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)N[C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC001588803445 961447025 /nfs/dbraw/zinc/44/70/25/961447025.db2.gz AAFZXKSBIDDSBL-HUUCEWRRSA-N -1 0 348.830 3.672 20 0 EHADRM CCC[C@@H](NC(=O)CCc1ccccc1C(=O)[O-])c1ccccc1 ZINC000262126756 961481793 /nfs/dbraw/zinc/48/17/93/961481793.db2.gz GYSHXWLMTDQOQV-GOSISDBHSA-N -1 0 325.408 3.975 20 0 EHADRM CCOc1cc(Cl)ccc1NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001573920342 961530659 /nfs/dbraw/zinc/53/06/59/961530659.db2.gz LOAVENKIYAZKHT-VMPITWQZSA-N -1 0 335.743 3.682 20 0 EHADRM CC[C@@H]1c2ccsc2CCN1C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000262210544 961556871 /nfs/dbraw/zinc/55/68/71/961556871.db2.gz PRJWUQRKHVUMSU-OAHLLOKOSA-N -1 0 329.421 3.525 20 0 EHADRM CCSCc1ccccc1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001573932394 961586749 /nfs/dbraw/zinc/58/67/49/961586749.db2.gz SLQKOQFZMRRZMD-UHFFFAOYSA-N -1 0 329.421 3.568 20 0 EHADRM CC(C)[C@@H](CNC(=O)C(C)(C)c1cccc2ccccc21)C(=O)[O-] ZINC001588816972 961597879 /nfs/dbraw/zinc/59/78/79/961597879.db2.gz QHFQPHSPESGJKG-MRXNPFEDSA-N -1 0 327.424 3.590 20 0 EHADRM CC(C)[C@H](NC(=O)CCc1ccccc1C(=O)[O-])c1ccccc1 ZINC000262259893 961601409 /nfs/dbraw/zinc/60/14/09/961601409.db2.gz WOVLJPCBSURRPE-IBGZPJMESA-N -1 0 325.408 3.831 20 0 EHADRM C[C@@H](CC1CCCCC1)C(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000262283515 961617903 /nfs/dbraw/zinc/61/79/03/961617903.db2.gz ZWVFZPSUMFXMIH-AWEZNQCLSA-N -1 0 329.440 3.876 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC1(CC(=O)[O-])CCCC1 ZINC000262290834 961622723 /nfs/dbraw/zinc/62/27/23/961622723.db2.gz NFBRSQLVBZRMDD-LLVKDONJSA-N -1 0 341.860 3.724 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(C)cc1OCc1ccccc1)C(=O)[O-] ZINC001573943604 961628914 /nfs/dbraw/zinc/62/89/14/961628914.db2.gz MNZIEQNOVVPXOE-HNNXBMFYSA-N -1 0 342.395 3.559 20 0 EHADRM CC(C)[C@@H](CNC(=O)NCc1ccc(-c2cccs2)cc1)C(=O)[O-] ZINC001588825080 961665905 /nfs/dbraw/zinc/66/59/05/961665905.db2.gz PJTDVQPAFBCWND-OAHLLOKOSA-N -1 0 346.452 3.571 20 0 EHADRM Cc1c(C(=O)Nc2ccc(C(=O)[O-])cc2C)cnn1C1CCCCC1 ZINC001333331761 961681118 /nfs/dbraw/zinc/68/11/18/961681118.db2.gz HVZWVSXDXYNHJD-UHFFFAOYSA-N -1 0 341.411 3.956 20 0 EHADRM COc1ccc([C@@H](NC(=O)c2ccc(C(=O)[O-])cc2F)C(C)C)cc1 ZINC000262443160 961723921 /nfs/dbraw/zinc/72/39/21/961723921.db2.gz TVSIAMLKITXPAG-KRWDZBQOSA-N -1 0 345.370 3.660 20 0 EHADRM Cc1oc(CN(C)C(=O)c2cccc(OCC(C)C)c2)cc1C(=O)[O-] ZINC000262458986 961732413 /nfs/dbraw/zinc/73/24/13/961732413.db2.gz ICFCEVPUQJMGSZ-UHFFFAOYSA-N -1 0 345.395 3.593 20 0 EHADRM COCc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)cc1 ZINC000262463892 961736860 /nfs/dbraw/zinc/73/68/60/961736860.db2.gz YNMNPCIAKXEJFI-UHFFFAOYSA-N -1 0 343.379 3.571 20 0 EHADRM CCOc1ccc(CC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC000262502480 961753557 /nfs/dbraw/zinc/75/35/57/961753557.db2.gz KUTLGUJCRSYTKY-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM CCC(CC)(CNC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccccc1 ZINC000262684171 961805130 /nfs/dbraw/zinc/80/51/30/961805130.db2.gz BTHCCMIUTOXSPD-WKILWMFISA-N -1 0 331.456 3.752 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262706162 961816118 /nfs/dbraw/zinc/81/61/18/961816118.db2.gz JQDUOSHKQTXRHB-YDHLFZDLSA-N -1 0 333.428 3.609 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)Nc2ccc(Cc3ccncc3)cc2)o1 ZINC001574513167 961821712 /nfs/dbraw/zinc/82/17/12/961821712.db2.gz GPTUKZFPXLQHMU-SOFGYWHQSA-N -1 0 348.358 3.616 20 0 EHADRM CC(C)[C@H]1N(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC12CC=CC2 ZINC001588843030 961834204 /nfs/dbraw/zinc/83/42/04/961834204.db2.gz WOXOCBYTBHLIAT-QKPAOTATSA-N -1 0 348.487 3.508 20 0 EHADRM O=C([O-])CC1CC(Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC001334801158 961834839 /nfs/dbraw/zinc/83/48/39/961834839.db2.gz XAJWUPXBEDJLBR-UBHUBRDASA-N -1 0 339.819 3.563 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2ccnn2C2CCCC2)cc1)C(=O)[O-] ZINC000262752230 961849701 /nfs/dbraw/zinc/84/97/01/961849701.db2.gz JKMRNODWTGDOOM-ZDUSSCGKSA-N -1 0 341.411 3.514 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)CSc2ccc3ccccc3c2)C1 ZINC000262813797 961881705 /nfs/dbraw/zinc/88/17/05/961881705.db2.gz AJGZXOJIZKDLEZ-IBGZPJMESA-N -1 0 343.448 3.645 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)CCCC1 ZINC000262818683 961885613 /nfs/dbraw/zinc/88/56/13/961885613.db2.gz DWEJGHJCIPWGGS-UHFFFAOYSA-N -1 0 348.786 3.512 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000262848869 961915501 /nfs/dbraw/zinc/91/55/01/961915501.db2.gz BGKJOQRIBQSHBQ-UONOGXRCSA-N -1 0 337.847 3.622 20 0 EHADRM Cc1cc(C(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)oc1C(=O)[O-] ZINC001335431219 961927494 /nfs/dbraw/zinc/92/74/94/961927494.db2.gz HSAGZFIOTJNZBZ-VIFPVBQESA-N -1 0 336.413 3.531 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N1CCc2ccc(C(C)C)cc2C1)C(=O)[O-] ZINC001588851307 961927815 /nfs/dbraw/zinc/92/78/15/961927815.db2.gz BHNYBSJODIAWJT-KRWDZBQOSA-N -1 0 346.471 3.625 20 0 EHADRM CC(C)C[C@H](CNC(=O)N[C@@H](C)c1c(F)cccc1Cl)C(=O)[O-] ZINC001588852418 961942441 /nfs/dbraw/zinc/94/24/41/961942441.db2.gz LMLIVSJWTMOQBK-WDEREUQCSA-N -1 0 344.814 3.586 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000262916337 961999366 /nfs/dbraw/zinc/99/93/66/961999366.db2.gz JBPJMOKPJWNAQU-ZTTMTSROSA-N -1 0 349.430 3.655 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000262916327 961999630 /nfs/dbraw/zinc/99/96/30/961999630.db2.gz JBPJMOKPJWNAQU-LYGKUDJVSA-N -1 0 349.430 3.655 20 0 EHADRM CCc1oc2ccccc2c1CN(C)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262934331 962018211 /nfs/dbraw/zinc/01/82/11/962018211.db2.gz MLMJPKUTIUHVRK-HDJSIYSDSA-N -1 0 343.423 3.845 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)s2)CC[C@H]1C(=O)[O-] ZINC000262943300 962029332 /nfs/dbraw/zinc/02/93/32/962029332.db2.gz KVXZJYODLITBJP-SMDDNHRTSA-N -1 0 347.411 3.737 20 0 EHADRM C[C@H](C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccc(Cl)s1 ZINC000262944243 962029805 /nfs/dbraw/zinc/02/98/05/962029805.db2.gz LVYDULGYOIPRQL-GXFFZTMASA-N -1 0 349.839 3.716 20 0 EHADRM CC(C)CC1(C(=O)N[C@H](C)c2ccc(OCC(=O)[O-])cc2)CCC1 ZINC000262950613 962036132 /nfs/dbraw/zinc/03/61/32/962036132.db2.gz HGODRIZKJDKLDB-CQSZACIVSA-N -1 0 333.428 3.544 20 0 EHADRM Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000262952667 962037955 /nfs/dbraw/zinc/03/79/55/962037955.db2.gz AYGUDRSHTHHHMB-PGEKIEPBSA-N -1 0 348.418 3.624 20 0 EHADRM C[C@H]1CN(C(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)CC[C@H]1C(=O)[O-] ZINC000262965172 962049238 /nfs/dbraw/zinc/04/92/38/962049238.db2.gz MINXBCQKRUEXFV-SWLSCSKDSA-N -1 0 342.439 3.648 20 0 EHADRM CC[C@H](NC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccc(F)cc1 ZINC001339822753 962074448 /nfs/dbraw/zinc/07/44/48/962074448.db2.gz OVLMYPOIURJGLM-CJNGLKHVSA-N -1 0 336.407 3.563 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC000262989800 962081700 /nfs/dbraw/zinc/08/17/00/962081700.db2.gz QDZADNRIZWGRRN-CQSZACIVSA-N -1 0 337.375 3.594 20 0 EHADRM CC[C@H](CCc1ccccc1)NC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001339924952 962085463 /nfs/dbraw/zinc/08/54/63/962085463.db2.gz DTJODZAIUSYHKO-QZTJIDSGSA-N -1 0 346.471 3.684 20 0 EHADRM Cc1cc(C)c(C(=O)N[C@H](C)c2ccc(OCC(=O)[O-])cc2)c(C)c1 ZINC000262995299 962087810 /nfs/dbraw/zinc/08/78/10/962087810.db2.gz KKKUNKZZKZBRLY-OAHLLOKOSA-N -1 0 341.407 3.566 20 0 EHADRM CC(C)(CCNC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000262998783 962091914 /nfs/dbraw/zinc/09/19/14/962091914.db2.gz MBSHAPXAKTXQBV-UHFFFAOYSA-N -1 0 325.408 3.513 20 0 EHADRM CN(C(=O)c1ccccc1-c1ccccc1C(=O)[O-])[C@H]1CCSC1 ZINC000263020509 962127159 /nfs/dbraw/zinc/12/71/59/962127159.db2.gz TXYAGEMZODHGNG-ZDUSSCGKSA-N -1 0 341.432 3.629 20 0 EHADRM Cc1ccc(C)c(OCCCCC(=O)NC2(CC(=O)[O-])CCCC2)c1 ZINC000263036630 962157066 /nfs/dbraw/zinc/15/70/66/962157066.db2.gz ZIMUQCUEGLPAGO-UHFFFAOYSA-N -1 0 347.455 3.756 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H](c2ccccc2F)C2CCCC2)C1 ZINC000263045465 962173728 /nfs/dbraw/zinc/17/37/28/962173728.db2.gz DLUYOFCIUYKASR-JJRVBVJISA-N -1 0 333.403 3.674 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000263048045 962177660 /nfs/dbraw/zinc/17/76/60/962177660.db2.gz FEYPJOMQSRFILU-PXAZEXFGSA-N -1 0 329.396 3.903 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)cc1 ZINC000263051859 962185109 /nfs/dbraw/zinc/18/51/09/962185109.db2.gz DZYTWUAAVJZRKV-JMPLFQLZSA-N -1 0 345.345 3.895 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@@H](C)Cn1ccc2ccccc21)CC(=O)[O-] ZINC001588887764 962191720 /nfs/dbraw/zinc/19/17/20/962191720.db2.gz ZKHWTCNPQWPFKW-HOTGVXAUSA-N -1 0 344.455 3.531 20 0 EHADRM Cc1sc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)cc1-c1ccc(F)cc1 ZINC000263057481 962193435 /nfs/dbraw/zinc/19/34/35/962193435.db2.gz AYAYGTQIHMLUFJ-YGRLFVJLSA-N -1 0 347.411 3.798 20 0 EHADRM CC(C)c1cccc2c1CCN(C(=O)Cc1ccccc1C(=O)[O-])C2 ZINC000263068634 962210910 /nfs/dbraw/zinc/21/09/10/962210910.db2.gz TYLJYVZDWUCMAX-UHFFFAOYSA-N -1 0 337.419 3.636 20 0 EHADRM Cn1c(C(=O)[O-])ccc1[C@H]1CCCCN1C(=O)CC1CCCCC1 ZINC001344592157 962213070 /nfs/dbraw/zinc/21/30/70/962213070.db2.gz JYCTXWQNWUBXNU-MRXNPFEDSA-N -1 0 332.444 3.747 20 0 EHADRM C[C@@H]1CC/C(=C/C(=O)N2CCCC[C@H]2c2ccc(C(=O)[O-])n2C)C1 ZINC001344592534 962215068 /nfs/dbraw/zinc/21/50/68/962215068.db2.gz ODPOXSAPBHNTBY-WCEJITFTSA-N -1 0 330.428 3.523 20 0 EHADRM CC(C)C[C@H](CNC(=O)NC1(c2ccccc2)CCC1)CC(=O)[O-] ZINC001588893121 962218013 /nfs/dbraw/zinc/21/80/13/962218013.db2.gz VBELPFHDXVIXLP-HNNXBMFYSA-N -1 0 332.444 3.502 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)CCC2CCC2)C[C@H]1c1ccc(Cl)cc1 ZINC000263077508 962221499 /nfs/dbraw/zinc/22/14/99/962221499.db2.gz KMWBPCLESOAVNS-JKSUJKDBSA-N -1 0 335.831 3.547 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1cccc(-c2ccc(F)c(F)c2)c1)C1CC1 ZINC001574616804 962227179 /nfs/dbraw/zinc/22/71/79/962227179.db2.gz JSURBQNOMNAHBR-MRXNPFEDSA-N -1 0 331.318 3.681 20 0 EHADRM CC1(C)C[C@@H](C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CCO1 ZINC001345122829 962235831 /nfs/dbraw/zinc/23/58/31/962235831.db2.gz RRUMUVZQTFUMTN-LBPRGKRZSA-N -1 0 327.380 3.682 20 0 EHADRM CCC[C@@H](CC1CCCC1)C(=O)N1CCc2ccc(C(=O)[O-])nc2C1 ZINC001345132537 962238002 /nfs/dbraw/zinc/23/80/02/962238002.db2.gz DJQATDKGZBSUPR-INIZCTEOSA-N -1 0 344.455 3.661 20 0 EHADRM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000263102748 962254702 /nfs/dbraw/zinc/25/47/02/962254702.db2.gz UFWAEBMWGYGKJL-LLVKDONJSA-N -1 0 345.361 3.501 20 0 EHADRM CCN(Cc1ccccc1F)C(=O)CCc1ccccc1C(=O)[O-] ZINC001345200669 962263747 /nfs/dbraw/zinc/26/37/47/962263747.db2.gz VCPGBQHBXCXQRC-UHFFFAOYSA-N -1 0 329.371 3.505 20 0 EHADRM CCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001345714128 962271537 /nfs/dbraw/zinc/27/15/37/962271537.db2.gz MHWHAYPJEFXSSQ-AOOOYVTPSA-N -1 0 345.317 3.544 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)N2CCCC[C@H]2CC(=O)[O-])cc1 ZINC001588906010 962272256 /nfs/dbraw/zinc/27/22/56/962272256.db2.gz FPYYEMXQLALMGF-SFHVURJKSA-N -1 0 331.456 3.674 20 0 EHADRM CCC1(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)CCCC1 ZINC000263136614 962290465 /nfs/dbraw/zinc/29/04/65/962290465.db2.gz UNZJDAOIDKNCSZ-JKSUJKDBSA-N -1 0 349.858 3.937 20 0 EHADRM Cc1oc(-c2ccccc2)c(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])c1C ZINC001345796952 962303941 /nfs/dbraw/zinc/30/39/41/962303941.db2.gz GKDQUWMNMHVTCR-JKSUJKDBSA-N -1 0 341.407 3.937 20 0 EHADRM CCCc1occc1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000263153458 962307099 /nfs/dbraw/zinc/30/70/99/962307099.db2.gz NZHAPGVJQOHIOQ-UHFFFAOYSA-N -1 0 333.409 3.802 20 0 EHADRM O=C([O-])[C@]1(C(=O)NCc2c(Cl)oc3ccccc32)CC=CCC1 ZINC001574633329 962308870 /nfs/dbraw/zinc/30/88/70/962308870.db2.gz GOPZTILVDRDGGM-QGZVFWFLSA-N -1 0 333.771 3.514 20 0 EHADRM O=C([O-])[C@@]1(C(=O)NCc2c(Cl)oc3ccccc32)CC=CCC1 ZINC001574633328 962309969 /nfs/dbraw/zinc/30/99/69/962309969.db2.gz GOPZTILVDRDGGM-KRWDZBQOSA-N -1 0 333.771 3.514 20 0 EHADRM CC(C)Oc1ccccc1C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000263179204 962333453 /nfs/dbraw/zinc/33/34/53/962333453.db2.gz HAKHKCUVEIYVDD-ZDUSSCGKSA-N -1 0 327.380 3.914 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)C[C@H]2CCCc3ccccc32)s1 ZINC000263252530 962395221 /nfs/dbraw/zinc/39/52/21/962395221.db2.gz SYRXBZUAUISFJP-CYBMUJFWSA-N -1 0 329.421 3.573 20 0 EHADRM C[C@H](CC(F)(F)F)C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC001347546266 962395692 /nfs/dbraw/zinc/39/56/92/962395692.db2.gz AZZCJOCPQGTBLK-KCJUWKMLSA-N -1 0 337.725 3.561 20 0 EHADRM C[C@H](NC(=O)CCCCC(=O)[O-])c1cc(F)c(Cl)cc1Cl ZINC000263254624 962396529 /nfs/dbraw/zinc/39/65/29/962396529.db2.gz FJYLZNFHAXZPKG-QMMMGPOBSA-N -1 0 336.190 3.955 20 0 EHADRM CC(C)(CNC(=O)CCCCC(=O)[O-])Cc1cccc(Cl)c1 ZINC000263260412 962399762 /nfs/dbraw/zinc/39/97/62/962399762.db2.gz GIQNUKJSCMPVRZ-UHFFFAOYSA-N -1 0 325.836 3.670 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000263266916 962405432 /nfs/dbraw/zinc/40/54/32/962405432.db2.gz NYFBHEHNDMPAPG-CYBMUJFWSA-N -1 0 345.826 3.576 20 0 EHADRM COc1ccccc1C1(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)CC1 ZINC000263292295 962431864 /nfs/dbraw/zinc/43/18/64/962431864.db2.gz MJQLICQVQBAVPD-CYBMUJFWSA-N -1 0 339.391 3.554 20 0 EHADRM COc1cc(C)c(NC(=O)c2cc(C)cc(C(=O)[O-])c2)c(C)c1C ZINC000263295824 962437100 /nfs/dbraw/zinc/43/71/00/962437100.db2.gz MZIPMJXKVICKBX-UHFFFAOYSA-N -1 0 327.380 3.879 20 0 EHADRM C[C@@H](NC(=O)CCCCC(=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000263317191 962458826 /nfs/dbraw/zinc/45/88/26/962458826.db2.gz QNDXXAOZMIWFNM-CQSZACIVSA-N -1 0 326.396 3.571 20 0 EHADRM O=C([O-])CCCCC(=O)NCC1(c2ccc(F)cc2)CCCCC1 ZINC000263316591 962459359 /nfs/dbraw/zinc/45/93/59/962459359.db2.gz QMMVFOXDAPWVBK-UHFFFAOYSA-N -1 0 335.419 3.789 20 0 EHADRM CC(C)Oc1cccc(CC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c1 ZINC000263356375 962512244 /nfs/dbraw/zinc/51/22/44/962512244.db2.gz XBYCZDUORFEXKC-AWEZNQCLSA-N -1 0 341.407 3.843 20 0 EHADRM CC(C)Oc1ccc([C@@H](C)NC(=O)C2(C(=O)[O-])CCCCC2)cc1 ZINC001588938094 962513645 /nfs/dbraw/zinc/51/36/45/962513645.db2.gz LEBZKBOWDVQEFS-CQSZACIVSA-N -1 0 333.428 3.686 20 0 EHADRM O=C([O-])C1CCC(NC(=O)N[C@H]2CCC[C@H](c3ccccc3)C2)CC1 ZINC000263392542 962552507 /nfs/dbraw/zinc/55/25/07/962552507.db2.gz QRIVQCPXQFENNI-IKJBURDNSA-N -1 0 344.455 3.655 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)CCCCC1 ZINC001574675342 962558434 /nfs/dbraw/zinc/55/84/34/962558434.db2.gz IWHLPIRBRLZHKK-LSDHHAIUSA-N -1 0 335.831 3.737 20 0 EHADRM Cc1c(NC2CCC(C(=O)[O-])CC2)cnn1-c1cc(C)ccc1C ZINC000263401434 962563057 /nfs/dbraw/zinc/56/30/57/962563057.db2.gz IEMMSGJNRRNXGT-UHFFFAOYSA-N -1 0 327.428 3.853 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001574677983 962564646 /nfs/dbraw/zinc/56/46/46/962564646.db2.gz JREMHEPMALEFHK-UPJWGTAASA-N -1 0 335.366 3.601 20 0 EHADRM CC(C)c1cccc2c1CCN(C(=O)c1coc(/C=C/C(=O)[O-])c1)C2 ZINC001588969459 962663321 /nfs/dbraw/zinc/66/33/21/962663321.db2.gz ILVIMYYILOXJRG-VOTSOKGWSA-N -1 0 339.391 3.699 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)NCCCc2ccccc2F)c1 ZINC001574710084 962702968 /nfs/dbraw/zinc/70/29/68/962702968.db2.gz LMGJPHSWEXTXPP-UHFFFAOYSA-N -1 0 344.386 3.597 20 0 EHADRM Cc1[nH]c2ccccc2c1C1CCN(C(=O)CCCCC(=O)[O-])CC1 ZINC000263533697 962715358 /nfs/dbraw/zinc/71/53/58/962715358.db2.gz NOSWBWLJVWUOAC-UHFFFAOYSA-N -1 0 342.439 3.827 20 0 EHADRM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000263572134 962738049 /nfs/dbraw/zinc/73/80/49/962738049.db2.gz KMOGADROQMFJTJ-CABCVRRESA-N -1 0 327.380 3.695 20 0 EHADRM O=C([O-])c1cnc(C2CCN(C(=O)C34CCC(CC3)CC4)CC2)s1 ZINC001517364431 962775369 /nfs/dbraw/zinc/77/53/69/962775369.db2.gz KMGIFZXWRXFPAX-UHFFFAOYSA-N -1 0 348.468 3.518 20 0 EHADRM COc1cc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)ccc1Cl ZINC001574177186 962794606 /nfs/dbraw/zinc/79/46/06/962794606.db2.gz NTSHNTMRFWXOIE-ZDUSSCGKSA-N -1 0 345.782 3.567 20 0 EHADRM Cn1c(C(=O)[O-])ccc1[C@@H]1CCCCN1C(=O)C[C@@H]1CC=CCC1 ZINC001517448287 962805045 /nfs/dbraw/zinc/80/50/45/962805045.db2.gz OHLJVXZPRCMRFM-ZBFHGGJFSA-N -1 0 330.428 3.523 20 0 EHADRM Cn1c(C(=O)[O-])ccc1[C@@H]1CCCCN1C(=O)CC1(C)CCCC1 ZINC001520204667 962851436 /nfs/dbraw/zinc/85/14/36/962851436.db2.gz CNSAXAKDARSYKO-HNNXBMFYSA-N -1 0 332.444 3.747 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2cc3c(cccc3Cl)s2)C[C@H]1C1CC1 ZINC001523173368 962870988 /nfs/dbraw/zinc/87/09/88/962870988.db2.gz VJLULMBZARTMLX-NWDGAFQWSA-N -1 0 349.839 3.738 20 0 EHADRM Cc1cccc(C(=O)NCCCCCCC(=O)[O-])c1C(F)(F)F ZINC001526712543 962879594 /nfs/dbraw/zinc/87/95/94/962879594.db2.gz XRKOKRXJTFUBEN-UHFFFAOYSA-N -1 0 331.334 3.779 20 0 EHADRM CC/C=C(\C)C(=O)N[C@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000299385416 962936593 /nfs/dbraw/zinc/93/65/93/962936593.db2.gz YGTICYPCCUTCPX-MQSIBISMSA-N -1 0 345.317 3.574 20 0 EHADRM Cc1cc(NC(=O)c2cccn2Cc2ccccc2)sc1C(=O)[O-] ZINC000302834105 963104648 /nfs/dbraw/zinc/10/46/48/963104648.db2.gz LGNBXDMACGCTOI-UHFFFAOYSA-N -1 0 340.404 3.857 20 0 EHADRM CC(C)C[C@@H]1CCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000307816670 963228157 /nfs/dbraw/zinc/22/81/57/963228157.db2.gz KVOCYGCIGDUXEQ-JTQLQIEISA-N -1 0 326.343 3.563 20 0 EHADRM O=C([O-])c1ccc(CNc2cc(Cl)cc(Br)c2)nc1 ZINC000308313231 963266322 /nfs/dbraw/zinc/26/63/22/963266322.db2.gz RKECQTZEPHFTCR-UHFFFAOYSA-N -1 0 341.592 3.808 20 0 EHADRM C[C@H](OCc1ccccc1)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000309546418 963355312 /nfs/dbraw/zinc/35/53/12/963355312.db2.gz QAEDVOHSLQDZHT-NSHDSACASA-N -1 0 333.771 3.582 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)N[C@H]2CCCC23CCCCC3)c1 ZINC000313006680 963612171 /nfs/dbraw/zinc/61/21/71/963612171.db2.gz IZQFTVMCBTXKEY-INIZCTEOSA-N -1 0 330.428 3.687 20 0 EHADRM Cc1cccc(Br)c1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000315060353 963851634 /nfs/dbraw/zinc/85/16/34/963851634.db2.gz KLILAADMSKLMIY-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)Nc2cccc(Cl)c2F)C1 ZINC000315178343 963863803 /nfs/dbraw/zinc/86/38/03/963863803.db2.gz NTLHZNDLCZLMKM-SNVBAGLBSA-N -1 0 328.771 3.588 20 0 EHADRM CN(C(=O)c1cccc(Cl)c1Cl)C1(C(=O)[O-])CCCCC1 ZINC000315210000 963866353 /nfs/dbraw/zinc/86/63/53/963866353.db2.gz YJVSCRMRRVLEKR-UHFFFAOYSA-N -1 0 330.211 3.853 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000316899433 964071793 /nfs/dbraw/zinc/07/17/93/964071793.db2.gz YNJJJEQIQLFVFM-UHFFFAOYSA-N -1 0 325.698 3.877 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc(-c3ccco3)cc2F)C1 ZINC000263034948 967840204 /nfs/dbraw/zinc/84/02/04/967840204.db2.gz BQVKUBFOCZLYBU-DGCLKSJQSA-N -1 0 346.358 3.660 20 0 EHADRM CC(C)CN(C(=O)NCCC(=O)[O-])[C@@H](C)c1ccccc1Cl ZINC000263434507 967893104 /nfs/dbraw/zinc/89/31/04/967893104.db2.gz ZOAPSFMYFSBVHB-LBPRGKRZSA-N -1 0 326.824 3.543 20 0 EHADRM CCCCCOc1ccc(C(=O)N2CCC(C)(C(=O)[O-])CC2)cc1 ZINC000364200643 968056327 /nfs/dbraw/zinc/05/63/27/968056327.db2.gz JVKUBHVKTBQOSJ-UHFFFAOYSA-N -1 0 333.428 3.583 20 0 EHADRM C[C@@H](CCNC(=O)N1CCCC[C@H]1CCC(=O)[O-])c1ccccc1 ZINC000392229535 968198802 /nfs/dbraw/zinc/19/88/02/968198802.db2.gz VVUAWMKDHPWBSG-RDJZCZTQSA-N -1 0 332.444 3.609 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2sc3ccccc3c2Cl)C1 ZINC000398837593 968280612 /nfs/dbraw/zinc/28/06/12/968280612.db2.gz NSDGYNGGTNCJGU-VHSXEESVSA-N -1 0 337.828 3.738 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccccc2OC2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000567879374 968435945 /nfs/dbraw/zinc/43/59/45/968435945.db2.gz SCULIXKSNDUWEP-YOEHRIQHSA-N -1 0 345.439 3.581 20 0 EHADRM CCCn1ccc2cc(NC(=O)N3CC[C@H](C(=O)[O-])[C@@H](C)C3)ccc21 ZINC000630562506 968536519 /nfs/dbraw/zinc/53/65/19/968536519.db2.gz WLLWHHYBMKMBCC-BBRMVZONSA-N -1 0 343.427 3.626 20 0 EHADRM CCCn1ccc2cc(NC(=O)N3CC[C@@H](C(=O)[O-])[C@@H](C)C3)ccc21 ZINC000630562509 968536790 /nfs/dbraw/zinc/53/67/90/968536790.db2.gz WLLWHHYBMKMBCC-XJKSGUPXSA-N -1 0 343.427 3.626 20 0 EHADRM Cc1ccc(-c2ncc(C(=O)N3CCC[C@]3(C)C(=O)[O-])s2)c(C)c1 ZINC000648337277 968584845 /nfs/dbraw/zinc/58/48/45/968584845.db2.gz WQKBATHLBKEPFY-GOSISDBHSA-N -1 0 344.436 3.506 20 0 EHADRM O=C([O-])[C@]1(C(=O)NC2CCC(c3ccccc3)CC2)CC=CCC1 ZINC000653281368 968637739 /nfs/dbraw/zinc/63/77/39/968637739.db2.gz FVNGGDIZKXJASW-LBXVMSDZSA-N -1 0 327.424 3.640 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000653333877 968665696 /nfs/dbraw/zinc/66/56/96/968665696.db2.gz VAWIVTODLJEVTE-ZWKOTPCHSA-N -1 0 337.419 3.685 20 0 EHADRM C[C@@H](NC(=O)N(C)CCC1CCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655907581 968714933 /nfs/dbraw/zinc/71/49/33/968714933.db2.gz QUIGSBZUASJGCI-VNQPRFMTSA-N -1 0 338.492 3.734 20 0 EHADRM CCC1(C(=O)NCc2cccc(C(=O)[O-])c2)CCC(F)(F)CC1 ZINC000659131468 968724302 /nfs/dbraw/zinc/72/43/02/968724302.db2.gz XGQFZJXCNBTRLR-UHFFFAOYSA-N -1 0 325.355 3.607 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1c1ccc(-c2ccc(Cl)s2)nn1 ZINC000662893581 968760600 /nfs/dbraw/zinc/76/06/00/968760600.db2.gz LYOUONYPBQBPJM-UWVGGRQHSA-N -1 0 337.832 3.548 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000663030812 968763088 /nfs/dbraw/zinc/76/30/88/968763088.db2.gz YKONPXIWEAVOAV-KRWDZBQOSA-N -1 0 342.439 3.621 20 0 EHADRM CC(C)[C@@H](NC(=O)NCCCCC(=O)[O-])c1ccc(Cl)cc1F ZINC000666539933 968841205 /nfs/dbraw/zinc/84/12/05/968841205.db2.gz BGLZFMCOFXSHQL-OAHLLOKOSA-N -1 0 344.814 3.730 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C ZINC000846714457 969256420 /nfs/dbraw/zinc/25/64/20/969256420.db2.gz MIWSVJBQUMKTIJ-KSSFIOAISA-N -1 0 342.439 3.649 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)C2(c3cccnc3)CCCC2)c1 ZINC000864136426 969321187 /nfs/dbraw/zinc/32/11/87/969321187.db2.gz YYNIQXFTQLDSQE-UHFFFAOYSA-N -1 0 338.407 3.549 20 0 EHADRM Cc1cccc(CO[C@H](C)C(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC000864135712 969321195 /nfs/dbraw/zinc/32/11/95/969321195.db2.gz PDPPJGFFQNPFCK-OAHLLOKOSA-N -1 0 341.407 3.556 20 0 EHADRM O=C([O-])CCCCCNC(=O)N1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC001325302328 969701509 /nfs/dbraw/zinc/70/15/09/969701509.db2.gz AGIALWVKUXMWJY-YLJYHZDGSA-N -1 0 344.455 3.742 20 0 EHADRM CC1(C)C[C@H](c2ccccc2)CN1C(=O)NCCCCCC(=O)[O-] ZINC001343057452 969757348 /nfs/dbraw/zinc/75/73/48/969757348.db2.gz ZQRZVAAMWLNLJL-INIZCTEOSA-N -1 0 332.444 3.609 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)CC1c2ccccc2Oc2ccccc21 ZINC001343784955 969759869 /nfs/dbraw/zinc/75/98/69/969759869.db2.gz XPIUJVGBPJDDIW-UHFFFAOYSA-N -1 0 339.391 3.636 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)c1ccc(Cn2cccc2)cc1)C(=O)[O-] ZINC001588647867 969892373 /nfs/dbraw/zinc/89/23/73/969892373.db2.gz IHRGHCSALTZCSQ-QGZVFWFLSA-N -1 0 342.439 3.546 20 0 EHADRM CCC1CCC(NC(=O)c2cccc(Cl)c2F)(C(=O)[O-])CC1 ZINC000317123370 970330079 /nfs/dbraw/zinc/33/00/79/970330079.db2.gz HNIKBEDHFXQNHS-UHFFFAOYSA-N -1 0 327.783 3.633 20 0 EHADRM CC[C@H]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC000318801047 970474816 /nfs/dbraw/zinc/47/48/16/970474816.db2.gz MOYQTGCAXHWJEJ-JTQLQIEISA-N -1 0 326.780 3.963 20 0 EHADRM CSC[C@H]1CCCN(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])C1 ZINC000319512722 970542549 /nfs/dbraw/zinc/54/25/49/970542549.db2.gz ZQVWJVVLGJVHHR-JTQLQIEISA-N -1 0 342.848 3.645 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCOc2ccccc2Cl)ccc1F ZINC000319741126 970566852 /nfs/dbraw/zinc/56/68/52/970566852.db2.gz IBHDOIMCJGOREX-UHFFFAOYSA-N -1 0 337.734 3.585 20 0 EHADRM Cc1sc(NC(=O)c2cccc3ncccc32)c(C(=O)[O-])c1C ZINC000319818100 970575833 /nfs/dbraw/zinc/57/58/33/970575833.db2.gz LQVFSURXYSKGFT-UHFFFAOYSA-N -1 0 326.377 3.864 20 0 EHADRM Cc1ccc(NC(=O)NCCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000320250304 970637119 /nfs/dbraw/zinc/63/71/19/970637119.db2.gz PQFVMCUAUKYYQJ-UHFFFAOYSA-N -1 0 332.787 3.711 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)CCOc2ccc(F)cc2)s1 ZINC000320385589 970657079 /nfs/dbraw/zinc/65/70/79/970657079.db2.gz BCIYQBSJPKTIIA-UHFFFAOYSA-N -1 0 337.372 3.555 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)Nc2ccc(CC(=O)[O-])cc2)c(C)s1 ZINC000320484396 970669817 /nfs/dbraw/zinc/66/98/17/970669817.db2.gz FSQFCZJEHIHRBB-LLVKDONJSA-N -1 0 332.425 3.875 20 0 EHADRM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000320642515 970690293 /nfs/dbraw/zinc/69/02/93/970690293.db2.gz NDRQYSUPTSMXQB-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM CCN(Cc1ccccc1F)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001610302432 970716923 /nfs/dbraw/zinc/71/69/23/970716923.db2.gz LSWJLPLYCQPFRB-UHFFFAOYSA-N -1 0 330.359 3.507 20 0 EHADRM COc1cc(CNc2ccc(C(=O)[O-])cc2)c(SC)cc1OC ZINC000320829397 970719807 /nfs/dbraw/zinc/71/98/07/970719807.db2.gz YHVAGMSVJIVORT-UHFFFAOYSA-N -1 0 333.409 3.736 20 0 EHADRM O=C([O-])c1ccccc1C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000321163973 970749257 /nfs/dbraw/zinc/74/92/57/970749257.db2.gz PZODYAHSZCIATO-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM Cc1nc(C(=O)Nc2ccc(C(=O)[O-])cc2F)c(-c2ccccc2)o1 ZINC001610551926 970753422 /nfs/dbraw/zinc/75/34/22/970753422.db2.gz DDHHTYPRANGEBL-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001604958267 972537861 /nfs/dbraw/zinc/53/78/61/972537861.db2.gz IQYXXHMCTJXSEA-UHFFFAOYSA-N -1 0 342.376 3.641 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(C)C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001603287841 972540290 /nfs/dbraw/zinc/54/02/90/972540290.db2.gz YTAXIRHCZTZKQJ-JTQLQIEISA-N -1 0 333.775 3.658 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)Cc1ccc2ccccc2c1 ZINC000392975836 972550986 /nfs/dbraw/zinc/55/09/86/972550986.db2.gz RYECJNGXKJQUBX-LJQANCHMSA-N -1 0 339.435 3.922 20 0 EHADRM CSc1ccc(Cl)c(NC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC001604964711 972552030 /nfs/dbraw/zinc/55/20/30/972552030.db2.gz BIEICNPBERTVQW-UWVGGRQHSA-N -1 0 342.848 3.636 20 0 EHADRM CSc1ccc(CCC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC001604964786 972553695 /nfs/dbraw/zinc/55/36/95/972553695.db2.gz HLHSUHXXLCBIFM-HNNXBMFYSA-N -1 0 335.469 3.587 20 0 EHADRM C[C@@H](C1CCCCC1)N(C)C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001604979160 972571226 /nfs/dbraw/zinc/57/12/26/972571226.db2.gz QJKOWAOMWUJEOG-MGPUTAFESA-N -1 0 346.471 3.639 20 0 EHADRM CCc1nc(CNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])cs1 ZINC000393257298 972576956 /nfs/dbraw/zinc/57/69/56/972576956.db2.gz QZUWXEWSLNQIQY-UHFFFAOYSA-N -1 0 341.776 3.577 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)CSCc1ccc(C(C)(C)C)cc1 ZINC001605005086 972609911 /nfs/dbraw/zinc/60/99/11/972609911.db2.gz SVKAAVSGOBTAFA-CZUORRHYSA-N -1 0 349.496 3.681 20 0 EHADRM CN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001604188579 972616033 /nfs/dbraw/zinc/61/60/33/972616033.db2.gz AYFLBLICDNDVIG-CQSZACIVSA-N -1 0 343.345 3.555 20 0 EHADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 ZINC001605025840 972636880 /nfs/dbraw/zinc/63/68/80/972636880.db2.gz IDJVFOQTHVKVHV-UANNBLPKSA-N -1 0 342.829 3.574 20 0 EHADRM CC1(C)CN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)[C@H]1c1ccccc1 ZINC001603329329 972692029 /nfs/dbraw/zinc/69/20/29/972692029.db2.gz JIRJZQYOOXITLJ-CCCPALQASA-N -1 0 325.364 3.601 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCC2CCC(C(C)(C)C)CC2)C1 ZINC001603363113 972839051 /nfs/dbraw/zinc/83/90/51/972839051.db2.gz QTPNMYNYMXNXET-YHNBSYBMSA-N -1 0 338.492 3.591 20 0 EHADRM COc1ccc(CN(C)C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cc1 ZINC000396351230 972862622 /nfs/dbraw/zinc/86/26/22/972862622.db2.gz ATNONLFOZQOEBP-ZDUSSCGKSA-N -1 0 342.395 3.547 20 0 EHADRM Cc1oc(Br)cc1-c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000396451671 972891903 /nfs/dbraw/zinc/89/19/03/972891903.db2.gz DNMCGKZXBZKBHJ-UHFFFAOYSA-N -1 0 349.140 3.766 20 0 EHADRM Cc1cc(NC(=O)C2(CC(=O)OC(C)(C)C)CCC2)ccc1C(=O)[O-] ZINC001605193255 972918375 /nfs/dbraw/zinc/91/83/75/972918375.db2.gz SUKNEVFHFORXNK-UHFFFAOYSA-N -1 0 347.411 3.534 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000396641824 972928840 /nfs/dbraw/zinc/92/88/40/972928840.db2.gz QJPHNNSKEVSBDV-VXGBXAGGSA-N -1 0 342.351 3.525 20 0 EHADRM Cc1cc(NC(=O)N2CCC[C@@H]([C@@H]3CCCCO3)C2)ccc1C(=O)[O-] ZINC001605201636 972935718 /nfs/dbraw/zinc/93/57/18/972935718.db2.gz ZONGYDCZZCCFJL-PBHICJAKSA-N -1 0 346.427 3.506 20 0 EHADRM C[C@@H]1C[C@H](C)CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)C1 ZINC001603376136 972935605 /nfs/dbraw/zinc/93/56/05/972935605.db2.gz OVOHUTGUEVZIGI-DTORHVGOSA-N -1 0 328.771 3.687 20 0 EHADRM Cc1cc(NC(=O)c2cccc3c2OCC3(C)C)ccc1C(=O)[O-] ZINC001605211954 972953745 /nfs/dbraw/zinc/95/37/45/972953745.db2.gz LVDYQVRTLBIPIH-UHFFFAOYSA-N -1 0 325.364 3.616 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1ccc(COC(C)(C)C)cc1 ZINC001603381234 972958469 /nfs/dbraw/zinc/95/84/69/972958469.db2.gz PFNVBMOLYGJXFJ-UKRRQHHQSA-N -1 0 348.443 3.719 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001605224693 972976969 /nfs/dbraw/zinc/97/69/69/972976969.db2.gz VOCCBQYIZXNFEX-HOCLYGCPSA-N -1 0 333.428 3.609 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[O-])c1 ZINC001605255969 973022471 /nfs/dbraw/zinc/02/24/71/973022471.db2.gz GQVQUHAKFPBNGM-ZBFHGGJFSA-N -1 0 335.444 3.501 20 0 EHADRM C[C@@H]1CCCC[C@H]1CCNC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001603404672 973054805 /nfs/dbraw/zinc/05/48/05/973054805.db2.gz CUPZKJHJGIERED-GUXCAODWSA-N -1 0 346.471 3.545 20 0 EHADRM Cc1ccc(OC(=O)c2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC001605296599 973108923 /nfs/dbraw/zinc/10/89/23/973108923.db2.gz MQFRABVWLSSXSQ-UHFFFAOYSA-N -1 0 335.153 3.675 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2cc3ccc(Cl)cc3[nH]2)C(=O)[O-])c1 ZINC001605328437 973182802 /nfs/dbraw/zinc/18/28/02/973182802.db2.gz NKPAIELIIDJHSQ-INIZCTEOSA-N -1 0 342.782 3.685 20 0 EHADRM Cc1cccc([C@@H](NC(=O)C2(Sc3ccccc3)CC2)C(=O)[O-])c1 ZINC001605329143 973194574 /nfs/dbraw/zinc/19/45/74/973194574.db2.gz UBRNTAAORMXCGK-MRXNPFEDSA-N -1 0 341.432 3.562 20 0 EHADRM C[C@@H]1CN(C(=O)CCCCc2ccc(Cl)cc2)CC[C@@H]1C(=O)[O-] ZINC001603439569 973217702 /nfs/dbraw/zinc/21/77/02/973217702.db2.gz LZPVMTQPMSJERD-CJNGLKHVSA-N -1 0 337.847 3.622 20 0 EHADRM C[C@@H]1CN(C(=O)C2(C(=O)[O-])CCCCCC2)CCc2ccccc21 ZINC001603440377 973225824 /nfs/dbraw/zinc/22/58/24/973225824.db2.gz RJIFXHYBFSCMME-OAHLLOKOSA-N -1 0 329.440 3.600 20 0 EHADRM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)NC1CCC(C(=O)[O-])CC1 ZINC001605347412 973244207 /nfs/dbraw/zinc/24/42/07/973244207.db2.gz KUNCXHWQDIVNHE-YHNBSYBMSA-N -1 0 329.440 3.736 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CC[C@@H]1C(=O)[O-] ZINC001603454210 973272811 /nfs/dbraw/zinc/27/28/11/973272811.db2.gz RFDNAQLLKHKCRL-SCZZXKLOSA-N -1 0 349.736 3.542 20 0 EHADRM CC(C)=CCC[C@H](C)CC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000400756717 973312865 /nfs/dbraw/zinc/31/28/65/973312865.db2.gz GDEOJGXSEGYMDR-KXBFYZLASA-N -1 0 329.440 3.970 20 0 EHADRM Cc1cnc2c(NC(=O)NC3(C(=O)[O-])CCCC3)cccc2c1Cl ZINC001605375260 973327414 /nfs/dbraw/zinc/32/74/14/973327414.db2.gz JIQBTUWNCOBRTD-UHFFFAOYSA-N -1 0 347.802 3.716 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)NCc2ccc(C3CCC3)cc2)C1 ZINC001606122934 973362693 /nfs/dbraw/zinc/36/26/93/973362693.db2.gz GDKSRZXYPMPMBI-MRXNPFEDSA-N -1 0 344.455 3.741 20 0 EHADRM O=C([O-])CN(CC1CC1)C(=O)C1(Cc2cccs2)CCCCC1 ZINC001606227564 973483290 /nfs/dbraw/zinc/48/32/90/973483290.db2.gz NXPMYRDXVMMHDT-UHFFFAOYSA-N -1 0 335.469 3.564 20 0 EHADRM CC[C@@](C)(NC(=O)NCc1ccccc1C(=O)[O-])c1ccc(F)cc1 ZINC001603508762 973496358 /nfs/dbraw/zinc/49/63/58/973496358.db2.gz WPTKSVWVCSMVIT-LJQANCHMSA-N -1 0 344.386 3.649 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1cc(C)c(Br)c(F)c1 ZINC001603526101 973566937 /nfs/dbraw/zinc/56/69/37/973566937.db2.gz XNDNAUNUCZYDJZ-UHFFFAOYSA-N -1 0 346.196 3.726 20 0 EHADRM CN(C[C@H]1CC=CCC1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000402495328 973610815 /nfs/dbraw/zinc/61/08/15/973610815.db2.gz CKXJHWBUAZGTKH-AWEZNQCLSA-N -1 0 330.428 3.869 20 0 EHADRM CC[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccn1)c1cccc(Cl)c1 ZINC001603582292 973741169 /nfs/dbraw/zinc/74/11/69/973741169.db2.gz HTKANLQMMLMFLZ-CYBMUJFWSA-N -1 0 333.775 3.706 20 0 EHADRM Cn1ncc(C(=O)[O-])c1CNc1ccc2c(c1)C(C)(C)CC2(C)C ZINC001605555794 973780431 /nfs/dbraw/zinc/78/04/31/973780431.db2.gz OJHIXXURCHRTKS-UHFFFAOYSA-N -1 0 327.428 3.689 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@@H](C)c2ccccc2Cl)cc1 ZINC000107946725 1014141827 /nfs/dbraw/zinc/14/18/27/1014141827.db2.gz MFVJZBDOMGNEOK-WHEQGISXSA-N -1 0 335.856 3.633 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)NC(CC(C)C)CC(C)C)C1 ZINC001603601085 973849347 /nfs/dbraw/zinc/84/93/47/973849347.db2.gz QWMLTFDHSYUQRC-SFHVURJKSA-N -1 0 326.481 3.734 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc3ccccc3nc2Cl)C1 ZINC001603602133 973863438 /nfs/dbraw/zinc/86/34/38/973863438.db2.gz QZLQPWRWFKWRHX-SFHVURJKSA-N -1 0 346.814 3.605 20 0 EHADRM CC[C@H]1CCCC[C@@H]1C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001603620171 973923496 /nfs/dbraw/zinc/92/34/96/973923496.db2.gz YKRVQQRNEUAMPN-QWRGUYRKSA-N -1 0 337.441 3.674 20 0 EHADRM Cc1ccc(F)c(Br)c1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000414101228 973932282 /nfs/dbraw/zinc/93/22/82/973932282.db2.gz WDEFQSXZHNBHQT-UHFFFAOYSA-N -1 0 346.196 3.726 20 0 EHADRM CC[C@H]1CCc2nc(NC(=O)C3(C(=O)[O-])CCCCC3)sc2C1 ZINC001603625491 973935270 /nfs/dbraw/zinc/93/52/70/973935270.db2.gz XHODAEIBPBWCLQ-NSHDSACASA-N -1 0 336.457 3.632 20 0 EHADRM CCC[C@H](NC(=O)Nc1cncc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC001603634069 973966951 /nfs/dbraw/zinc/96/69/51/973966951.db2.gz WDJYFJSDZSYRTL-HNNXBMFYSA-N -1 0 349.337 3.721 20 0 EHADRM CCC[C@H]1CCC[C@H]1C(=O)Nc1sc2c(c1C(=O)[O-])COCC2 ZINC001603635318 973968537 /nfs/dbraw/zinc/96/85/37/973968537.db2.gz AUSGVNMKOPJEIV-WDEREUQCSA-N -1 0 337.441 3.674 20 0 EHADRM CCCCCC[C@@H](C)CC(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001603640955 973986355 /nfs/dbraw/zinc/98/63/55/973986355.db2.gz JGVYZELGWLCGEV-XZZQLLPFSA-N -1 0 339.476 3.512 20 0 EHADRM O=C([O-])c1cccc(C(=O)N[C@@]2(C(F)(F)F)CCc3ccccc32)c1 ZINC001606504104 973994204 /nfs/dbraw/zinc/99/42/04/973994204.db2.gz CHXSILVTAACZCD-KRWDZBQOSA-N -1 0 349.308 3.519 20 0 EHADRM CCCCN1CCc2ccc(NC(=O)[C@]3(C(=O)[O-])CC=CCC3)cc21 ZINC001603647336 974004136 /nfs/dbraw/zinc/00/41/36/974004136.db2.gz GUSQXXVMRBLKTL-FQEVSTJZSA-N -1 0 342.439 3.599 20 0 EHADRM CCCCn1c(S[C@H](CC)C(=O)[O-])nnc1-c1ccc(OC)cc1 ZINC001603653390 974019849 /nfs/dbraw/zinc/01/98/49/974019849.db2.gz ROTWSXKCOHGLLV-CQSZACIVSA-N -1 0 349.456 3.709 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1ccc(-c2ccco2)cc1F)C(=O)[O-] ZINC000424386484 974024445 /nfs/dbraw/zinc/02/44/45/974024445.db2.gz HMOCKGDSYQQSDZ-ZDUSSCGKSA-N -1 0 348.374 3.954 20 0 EHADRM O=C([O-])[C@H](NCc1csc(-c2cccs2)n1)c1ccccc1F ZINC000426797646 974048920 /nfs/dbraw/zinc/04/89/20/974048920.db2.gz BSIYEVRFAXRMPI-CQSZACIVSA-N -1 0 348.424 3.926 20 0 EHADRM COCc1cc(NC(=O)C2(c3ccccc3C)CC2)cc(C(=O)[O-])c1 ZINC000427662837 974052447 /nfs/dbraw/zinc/05/24/47/974052447.db2.gz BGNUFZBQSVHJJL-UHFFFAOYSA-N -1 0 339.391 3.510 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)[C@@H](Sc1ccccc1F)c1ccccc1 ZINC000427748625 974057552 /nfs/dbraw/zinc/05/75/52/974057552.db2.gz ZCWKWZLFXXYTBH-SJCJKPOMSA-N -1 0 347.411 3.639 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)[C@H]2CC[C@H](C(C)C)CC2)C(=O)[O-])cc1 ZINC000431518271 974067578 /nfs/dbraw/zinc/06/75/78/974067578.db2.gz IXCWQBMUJSZGPY-KBAYOESNSA-N -1 0 331.456 3.742 20 0 EHADRM Cc1oc(CNC(=O)c2cc3c(ccc4ccccc34)[nH]2)cc1C(=O)[O-] ZINC000431645444 974069748 /nfs/dbraw/zinc/06/97/48/974069748.db2.gz XYOVTJMTSWBEFI-UHFFFAOYSA-N -1 0 348.358 3.851 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(Sc2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000431664661 974072115 /nfs/dbraw/zinc/07/21/15/974072115.db2.gz MKFYYTQDUJAIJU-LLVKDONJSA-N -1 0 339.800 3.677 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)Cc2cccc3cccnc32)cc1)C(=O)[O-] ZINC000431987243 974081010 /nfs/dbraw/zinc/08/10/10/974081010.db2.gz PKDZSLNLEIBHTF-AWEZNQCLSA-N -1 0 348.402 3.679 20 0 EHADRM C[C@@]1(NC(=O)c2ccc(-c3ccccc3F)o2)CCCC[C@H]1C(=O)[O-] ZINC000432089641 974084999 /nfs/dbraw/zinc/08/49/99/974084999.db2.gz OYANFPDMNUAQOD-ORAYPTAESA-N -1 0 345.370 3.849 20 0 EHADRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(Cl)c(F)c1 ZINC000432107346 974087368 /nfs/dbraw/zinc/08/73/68/974087368.db2.gz BIDSJSKNRLMIMQ-AWEZNQCLSA-N -1 0 349.789 3.685 20 0 EHADRM Cc1ccc(C)c([C@H](C)N(C)C(=O)Cc2ccccc2C(=O)[O-])c1 ZINC000432119144 974088685 /nfs/dbraw/zinc/08/86/85/974088685.db2.gz BIRIJGNBWDGONA-HNNXBMFYSA-N -1 0 325.408 3.764 20 0 EHADRM O=C([O-])c1coc(C(=O)N2Cc3ccccc3C[C@@H]2c2ccccc2)c1 ZINC000432131735 974091136 /nfs/dbraw/zinc/09/11/36/974091136.db2.gz ZNKJUBSCADRBNA-GOSISDBHSA-N -1 0 347.370 3.918 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000439900310 974111693 /nfs/dbraw/zinc/11/16/93/974111693.db2.gz XKLYSPBQFZXXMO-UHFFFAOYSA-N -1 0 339.800 3.673 20 0 EHADRM CSc1ccsc1C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC000449002673 974140530 /nfs/dbraw/zinc/14/05/30/974140530.db2.gz NAHRAUCGWPXWNF-NSHDSACASA-N -1 0 327.471 3.623 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000455862085 974154857 /nfs/dbraw/zinc/15/48/57/974154857.db2.gz JFDIUYIJTLDUBZ-CQSZACIVSA-N -1 0 347.798 3.846 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)C1 ZINC000455867480 974156309 /nfs/dbraw/zinc/15/63/09/974156309.db2.gz OVJTXPNYWOVQOT-QAPCUYQASA-N -1 0 343.467 3.992 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)[C@H]1CCCc2sccc21 ZINC000455912176 974167219 /nfs/dbraw/zinc/16/72/19/974167219.db2.gz VXPGJUPRFDQXOO-CJNGLKHVSA-N -1 0 343.448 3.670 20 0 EHADRM O=C([O-])c1ccc([C@H](NC(=O)CCC2CCC2)C(F)(F)F)cc1 ZINC000455917299 974169214 /nfs/dbraw/zinc/16/92/14/974169214.db2.gz FVHNAOXWJRYZPX-AWEZNQCLSA-N -1 0 329.318 3.685 20 0 EHADRM CC[C@H](C(=O)N[C@H](C)[C@@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC000455958246 974180230 /nfs/dbraw/zinc/18/02/30/974180230.db2.gz VTZMUVHEMGXACB-AYOQOUSVSA-N -1 0 339.435 3.628 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCC[C@@H]2Cc2ccccc2)c(F)c1 ZINC000478843113 974210242 /nfs/dbraw/zinc/21/02/42/974210242.db2.gz UCTULYDHVHIKOR-MRXNPFEDSA-N -1 0 341.382 3.761 20 0 EHADRM CC(C)(CNC(=O)c1ccc(C(=O)[O-])cc1F)c1ccccc1Cl ZINC000478850482 974211797 /nfs/dbraw/zinc/21/17/97/974211797.db2.gz SSHINEQDRMNGDA-UHFFFAOYSA-N -1 0 349.789 3.885 20 0 EHADRM CCc1ccc(C(C)(C)NC(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000478859559 974213152 /nfs/dbraw/zinc/21/31/52/974213152.db2.gz WSBGYPCLOBEZJX-UHFFFAOYSA-N -1 0 329.371 3.751 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])cc2F)[C@@H]1c1cccc(F)c1 ZINC000478857695 974213375 /nfs/dbraw/zinc/21/33/75/974213375.db2.gz ULTOTVJPTRMSFO-GTNSWQLSSA-N -1 0 345.345 3.886 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CCCOc1ccccc1F ZINC000484380298 974220665 /nfs/dbraw/zinc/22/06/65/974220665.db2.gz BHPRGASTNGVKOB-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM CC(C)(C)c1ccc(CCNC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000498662095 974264259 /nfs/dbraw/zinc/26/42/59/974264259.db2.gz XUYNFGLLBQKHNX-HOTGVXAUSA-N -1 0 331.456 3.534 20 0 EHADRM CC(C)Cc1ccc([C@H](NC(=O)[C@H]2CC[C@H]2C(=O)[O-])C(C)C)cc1 ZINC000507362163 974276090 /nfs/dbraw/zinc/27/60/90/974276090.db2.gz XFOWDRIROFPWHT-RCCFBDPRSA-N -1 0 331.456 3.809 20 0 EHADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1ccccc1SCc1cccs1 ZINC000516939429 974311747 /nfs/dbraw/zinc/31/17/47/974311747.db2.gz YPECMFRQHAKMDE-HAQNSBGRSA-N -1 0 347.461 3.633 20 0 EHADRM Cc1oc(CN2C[C@@H](c3cccc(Cl)c3)OC[C@@H]2C)cc1C(=O)[O-] ZINC000519713835 974333532 /nfs/dbraw/zinc/33/35/32/974333532.db2.gz YWTZCLVQOPUFDE-GTNSWQLSSA-N -1 0 349.814 3.902 20 0 EHADRM CCOc1c(Cl)cccc1NC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC001603849905 974352624 /nfs/dbraw/zinc/35/26/24/974352624.db2.gz KCYTUTJDGSPVQD-NSHDSACASA-N -1 0 342.823 3.607 20 0 EHADRM O=C([O-])CCCCCNC(=O)Cc1coc2ccc3ccccc3c12 ZINC000532254662 974372947 /nfs/dbraw/zinc/37/29/47/974372947.db2.gz XBQFNQFJHCKYMB-UHFFFAOYSA-N -1 0 339.391 3.890 20 0 EHADRM Cc1ccc(NC(=O)COc2ccc3c(c2)CCCC3)cc1C(=O)[O-] ZINC000538504709 974389753 /nfs/dbraw/zinc/38/97/53/974389753.db2.gz LLBKLGSXWYGQJZ-UHFFFAOYSA-N -1 0 339.391 3.590 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)COc1cc(Cl)cc(Cl)c1 ZINC000538515271 974390109 /nfs/dbraw/zinc/39/01/09/974390109.db2.gz QNUFZPZDJKMRIW-UHFFFAOYSA-N -1 0 348.226 3.522 20 0 EHADRM O=C([O-])CC1(CNC(=O)[C@@H]2SCCc3ccccc32)CCCCC1 ZINC000538577067 974391752 /nfs/dbraw/zinc/39/17/52/974391752.db2.gz KDSVUXGPJCRWRL-QGZVFWFLSA-N -1 0 347.480 3.558 20 0 EHADRM O=C([O-])CC1(CNC(=O)[C@H]2SCCc3ccccc32)CCCCC1 ZINC000538577065 974391899 /nfs/dbraw/zinc/39/18/99/974391899.db2.gz KDSVUXGPJCRWRL-KRWDZBQOSA-N -1 0 347.480 3.558 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)C/C=C/c1ccc(F)cc1)CC2 ZINC000540775307 974408437 /nfs/dbraw/zinc/40/84/37/974408437.db2.gz FPRHDMAEMJPHCP-OWOJBTEDSA-N -1 0 339.366 3.512 20 0 EHADRM Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2ccc(CC(=O)[O-])cc2)c1 ZINC000542504569 974415110 /nfs/dbraw/zinc/41/51/10/974415110.db2.gz XLJXEHDIWOUSJM-GFCCVEGCSA-N -1 0 347.798 3.682 20 0 EHADRM O=C([O-])c1cccc(CN2CCO[C@H](c3ccsc3)C2)c1Cl ZINC000563543264 974535934 /nfs/dbraw/zinc/53/59/34/974535934.db2.gz RMBOHQSTSYPFIT-AWEZNQCLSA-N -1 0 337.828 3.673 20 0 EHADRM C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NC1(CC(=O)[O-])CC1 ZINC000566346129 974606221 /nfs/dbraw/zinc/60/62/21/974606221.db2.gz QEAVBGVCOYHCOI-MRVPVSSYSA-N -1 0 348.251 3.598 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)C[C@H](C)CC(=O)[O-])cn2)cc1 ZINC000566747005 974621002 /nfs/dbraw/zinc/62/10/02/974621002.db2.gz DQQLPDGVIWVYFS-ZDUSSCGKSA-N -1 0 328.368 3.622 20 0 EHADRM CCC[C@@H]1CCC[C@H]1C(=O)N[C@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC000566984348 974625485 /nfs/dbraw/zinc/62/54/85/974625485.db2.gz HSXXELCVBDMEKX-FRFSOERESA-N -1 0 333.428 3.544 20 0 EHADRM C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(Cl)c2)C[C@H](c2ccccc2)O1 ZINC000568061978 974658200 /nfs/dbraw/zinc/65/82/00/974658200.db2.gz YUSSFBZPQJBMHL-XWIAVFTESA-N -1 0 345.826 3.928 20 0 EHADRM CC[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CCS1 ZINC000568098834 974661708 /nfs/dbraw/zinc/66/17/08/974661708.db2.gz VQVMFMAAISVUIO-NOZJJQNGSA-N -1 0 334.268 3.947 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CN1CCc2c([nH]c3ccccc32)C1 ZINC000568757711 974677339 /nfs/dbraw/zinc/67/73/39/974677339.db2.gz HMAQCOWDKCEHEG-UHFFFAOYSA-N -1 0 326.421 3.794 20 0 EHADRM C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@H+]1CCOc1ccccc1C(=O)[O-] ZINC000569251748 974687964 /nfs/dbraw/zinc/68/79/64/974687964.db2.gz ZODIANXMLUCJFP-UONOGXRCSA-N -1 0 343.398 3.911 20 0 EHADRM Cc1oc(CN(C)[C@H](C)c2noc(-c3ccccc3)n2)cc1C(=O)[O-] ZINC000569611999 974695756 /nfs/dbraw/zinc/69/57/56/974695756.db2.gz OBLZNXURNQZAGY-LLVKDONJSA-N -1 0 341.367 3.529 20 0 EHADRM O=C([O-])c1ccc(CN2CCC[C@@H]2c2nc3ccccc3s2)o1 ZINC000570402863 974711098 /nfs/dbraw/zinc/71/10/98/974711098.db2.gz CPFOXYQLXKRWCP-CYBMUJFWSA-N -1 0 328.393 3.925 20 0 EHADRM CCCN(Cc1cc(Br)ccc1C(=O)[O-])CC(F)F ZINC000570808507 974719259 /nfs/dbraw/zinc/71/92/59/974719259.db2.gz RHKUNAUYFIDSOB-UHFFFAOYSA-N -1 0 336.176 3.624 20 0 EHADRM O=C([O-])[C@@H](C[C@@H]1CCCc2ccccc21)NC(=O)Nc1ccccc1 ZINC000572223877 974743561 /nfs/dbraw/zinc/74/35/61/974743561.db2.gz ZPGDDPHRFSGEQY-MAUKXSAKSA-N -1 0 338.407 3.772 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)C[C@@H](c2ccc(O)cc2)C2CC2)c1 ZINC000909320237 1014213155 /nfs/dbraw/zinc/21/31/55/1014213155.db2.gz HFPGXTRZYXFWHQ-OAHLLOKOSA-N -1 0 343.354 3.752 20 0 EHADRM Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000574348090 974781523 /nfs/dbraw/zinc/78/15/23/974781523.db2.gz QUCYXOOWLKPTII-KBPBESRZSA-N -1 0 335.469 3.701 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N[C@@H]1CCC[C@H](C2CC2)C1)C(=O)[O-] ZINC000574447283 974782685 /nfs/dbraw/zinc/78/26/85/974782685.db2.gz BCMCWKZVJKAYFV-AEGPPILISA-N -1 0 347.480 3.950 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1csc(-c2ccc(F)cc2)n1)C1CCC1 ZINC000576958808 974826498 /nfs/dbraw/zinc/82/64/98/974826498.db2.gz QXRZYBKLGFKHKT-LLVKDONJSA-N -1 0 334.416 3.777 20 0 EHADRM COc1cccc([C@@H]2C[C@H](C)CN2c2nc(C(=O)[O-])c(C)s2)c1 ZINC000580452216 974894408 /nfs/dbraw/zinc/89/44/08/974894408.db2.gz UHTBAIUKOARMLL-HZMBPMFUSA-N -1 0 332.425 3.746 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2cc(F)cc3cccnc32)CCCCC1 ZINC000581168674 974906325 /nfs/dbraw/zinc/90/63/25/974906325.db2.gz PHFOGHSLWIMWIK-UHFFFAOYSA-N -1 0 344.386 3.529 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@@H](CCc1ccccc1)c1ccccc1 ZINC000582370086 974924983 /nfs/dbraw/zinc/92/49/83/974924983.db2.gz FNBYJMQIFQOKMO-APWZRJJASA-N -1 0 339.435 3.978 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-] ZINC000582768771 974931549 /nfs/dbraw/zinc/93/15/49/974931549.db2.gz SOFLOABBJIHNDG-ZDUSSCGKSA-N -1 0 346.452 3.690 20 0 EHADRM Cc1ccc(C)c(S([O-])=CC(=O)N(Cc2ccccc2)C2CC2)c1 ZINC000107964891 1014225533 /nfs/dbraw/zinc/22/55/33/1014225533.db2.gz SOTJNTFGWDAURF-XMMPIXPASA-N -1 0 341.476 3.602 20 0 EHADRM CCCc1ccc(CN[C@H](C(=O)[O-])c2cc(F)ccc2F)s1 ZINC000621247011 975027063 /nfs/dbraw/zinc/02/70/63/975027063.db2.gz CNJACLOYWLKTHU-HNNXBMFYSA-N -1 0 325.380 3.894 20 0 EHADRM CCCn1c(C(=O)N2CCCCC[C@H]2C(=O)[O-])cc2ccccc21 ZINC000621569990 975036379 /nfs/dbraw/zinc/03/63/79/975036379.db2.gz PANVHUPJFWWSES-INIZCTEOSA-N -1 0 328.412 3.521 20 0 EHADRM Cc1ccc(CCCC(=O)N2CCc3c(cccc3C(=O)[O-])C2)cc1 ZINC000621578666 975039370 /nfs/dbraw/zinc/03/93/70/975039370.db2.gz BAJJBKDPRGUJRM-UHFFFAOYSA-N -1 0 337.419 3.601 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)C1(c3ccccc3)CCCC1)C2 ZINC000621579551 975040497 /nfs/dbraw/zinc/04/04/97/975040497.db2.gz PQAUTWVGZWJZIO-UHFFFAOYSA-N -1 0 349.430 3.782 20 0 EHADRM Cc1cc(C(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)c(C)s1 ZINC000621588282 975045853 /nfs/dbraw/zinc/04/58/53/975045853.db2.gz UXNRPAFKCAOCDJ-HOTGVXAUSA-N -1 0 329.421 3.795 20 0 EHADRM C[C@H](NC(=O)c1ccccc1C(C)(C)C)c1ncc(C(=O)[O-])s1 ZINC000621611251 975060096 /nfs/dbraw/zinc/06/00/96/975060096.db2.gz ZITCBPYPLZXKIO-JTQLQIEISA-N -1 0 332.425 3.630 20 0 EHADRM Cc1ccccc1CO[C@H](C)C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000630121617 975109954 /nfs/dbraw/zinc/10/99/54/975109954.db2.gz DTDDUNOIVZPKEJ-CQSZACIVSA-N -1 0 327.380 3.545 20 0 EHADRM Cc1cc(C(=O)N2C[C@@H](c3ccccc3C)C[C@H]2C)oc1C(=O)[O-] ZINC000630121883 975110154 /nfs/dbraw/zinc/11/01/54/975110154.db2.gz UTJNDNXKXXXSPV-KGLIPLIRSA-N -1 0 327.380 3.613 20 0 EHADRM Cc1cc(C(=O)N2CC[C@@](C)(CCc3ccccc3)C2)oc1C(=O)[O-] ZINC000630123683 975110856 /nfs/dbraw/zinc/11/08/56/975110856.db2.gz QPLWZEONJLBMIK-HXUWFJFHSA-N -1 0 341.407 3.771 20 0 EHADRM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2cncc(C(=O)[O-])c2)o1 ZINC000630122284 975110882 /nfs/dbraw/zinc/11/08/82/975110882.db2.gz IWGDWHZYRSMMCN-MLGOLLRUSA-N -1 0 342.395 3.549 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C[C@H](C)C(F)(F)F ZINC000630127083 975112990 /nfs/dbraw/zinc/11/29/90/975112990.db2.gz NSVJSPHLGFHGGB-VIFPVBQESA-N -1 0 333.306 3.699 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)cc1C(=O)[O-] ZINC000630141965 975125903 /nfs/dbraw/zinc/12/59/03/975125903.db2.gz RWLQZGVLQMDPPY-HYVNUMGLSA-N -1 0 341.794 3.871 20 0 EHADRM CCCN(C(=O)c1cc(C)c(C(=O)[O-])o1)[C@H]1CCc2ccccc2C1 ZINC000630152410 975131927 /nfs/dbraw/zinc/13/19/27/975131927.db2.gz UVVSQXWMHXNVNQ-INIZCTEOSA-N -1 0 341.407 3.696 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)C1CCc2ccccc2CC1 ZINC000630184353 975146214 /nfs/dbraw/zinc/14/62/14/975146214.db2.gz LQIIPVSZIPBOSZ-UHFFFAOYSA-N -1 0 339.391 3.527 20 0 EHADRM Cc1cccc(CO[C@H](C)C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c1 ZINC000630193071 975152142 /nfs/dbraw/zinc/15/21/42/975152142.db2.gz AUEKLCWRMHAQFY-LSDHHAIUSA-N -1 0 341.407 3.727 20 0 EHADRM Cc1cc(C(=O)N2CC[C@H](c3ccccc3)C2(C)C)oc1C(=O)[O-] ZINC000630196115 975153928 /nfs/dbraw/zinc/15/39/28/975153928.db2.gz YDGSVPSWAZTPMG-CQSZACIVSA-N -1 0 327.380 3.695 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2CCCC23CC3)c(OC(F)F)c1 ZINC000630218491 975165084 /nfs/dbraw/zinc/16/50/84/975165084.db2.gz GTDUEYRUQGYKPQ-JTQLQIEISA-N -1 0 325.311 3.505 20 0 EHADRM CCC[C@H](C(=O)NCc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC000630231679 975179267 /nfs/dbraw/zinc/17/92/67/975179267.db2.gz BBIQJWXVZJUICD-SFHVURJKSA-N -1 0 325.408 3.514 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC000630236399 975182959 /nfs/dbraw/zinc/18/29/59/975182959.db2.gz PPCFBSJSFYQXRB-UHFFFAOYSA-N -1 0 340.383 3.676 20 0 EHADRM O=C([O-])c1cnc(C2CCN(C(=O)CCC3CCCC3)CC2)s1 ZINC000630242891 975188293 /nfs/dbraw/zinc/18/82/93/975188293.db2.gz PEDOPTIBCQNRIO-UHFFFAOYSA-N -1 0 336.457 3.518 20 0 EHADRM C[C@H]1CC[C@H](C(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)F)CC1 ZINC000630256948 975199675 /nfs/dbraw/zinc/19/96/75/975199675.db2.gz HZZHLLYGNDUTLV-XYPYZODXSA-N -1 0 341.354 3.794 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NCC[C@H]1CC=CCC1)C(=O)[O-] ZINC000630262106 975205688 /nfs/dbraw/zinc/20/56/88/975205688.db2.gz JPLCOPFSXDSTQX-KBPBESRZSA-N -1 0 333.453 3.728 20 0 EHADRM O=C([O-])[C@H](CNC(=O)C/C=C/c1ccc(F)cc1)C1CCCCC1 ZINC000630264862 975207646 /nfs/dbraw/zinc/20/76/46/975207646.db2.gz JCZVGLUALBPIGS-LAQIPUCWSA-N -1 0 333.403 3.626 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(Cl)cc2Cl)[C@@H]2CCC[C@@H]21 ZINC000630271998 975216255 /nfs/dbraw/zinc/21/62/55/975216255.db2.gz IZESWSSZVXITSB-JTNHKYCSSA-N -1 0 342.222 3.709 20 0 EHADRM Cc1ccc([C@@H]2C[C@H]2C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)cc1C ZINC000630285109 975229678 /nfs/dbraw/zinc/22/96/78/975229678.db2.gz PXSFAUJKGLXBIR-SPOLIRPYSA-N -1 0 341.451 3.509 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC000630284831 975229933 /nfs/dbraw/zinc/22/99/33/975229933.db2.gz MGWDRWAQFXTAPE-XGXHKWSGSA-N -1 0 343.467 3.747 20 0 EHADRM Cc1cccc2cc(C(=O)N3CC[C@H](C(=O)[O-])[C@@H]4CCC[C@H]43)sc21 ZINC000630286728 975231156 /nfs/dbraw/zinc/23/11/56/975231156.db2.gz YNTBSLKRQYOJST-SOUVJXGZSA-N -1 0 343.448 3.925 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC000630294312 975235243 /nfs/dbraw/zinc/23/52/43/975235243.db2.gz LJWBFUSDAGABHD-BRSBDYLESA-N -1 0 329.440 3.720 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)NCc1ccc(Sc2ccccc2)cc1 ZINC000630297623 975237125 /nfs/dbraw/zinc/23/71/25/975237125.db2.gz LCAYPQOVKDGLBU-CQSZACIVSA-N -1 0 343.448 3.955 20 0 EHADRM Cc1cc(CNC(=O)C(C)(C)CCCc2ccccc2)oc1C(=O)[O-] ZINC000630329101 975257094 /nfs/dbraw/zinc/25/70/94/975257094.db2.gz NAAZEKSJBVNUOR-UHFFFAOYSA-N -1 0 343.423 3.952 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cccc(-c3ccccc3)c2)CC[C@H]1C(=O)[O-] ZINC000630568928 975268721 /nfs/dbraw/zinc/26/87/21/975268721.db2.gz LGAJHFQATOGUQG-KBXCAEBGSA-N -1 0 338.407 3.928 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@@H](c2ccccc2)C(C)C)c(C)c1 ZINC000107968630 1014249704 /nfs/dbraw/zinc/24/97/04/1014249704.db2.gz MHWVSMIGKGUARY-HYBUGGRVSA-N -1 0 343.492 3.925 20 0 EHADRM CCC(CC)(CNC(=O)Nc1c(C)cc(C)cc1Cl)C(=O)[O-] ZINC000644169451 975324769 /nfs/dbraw/zinc/32/47/69/975324769.db2.gz QZXZETCYIRUAAO-UHFFFAOYSA-N -1 0 326.824 3.969 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)N[C@H](c2ccccc2F)C2CCCC2)C1 ZINC000646152623 975350418 /nfs/dbraw/zinc/35/04/18/975350418.db2.gz WVOJGMBCRHQBSY-KEYYUXOJSA-N -1 0 348.418 3.610 20 0 EHADRM O=C([O-])c1cnc(N2CCC(C(=O)c3ccccc3)CC2)c(Cl)c1 ZINC000647448665 975361153 /nfs/dbraw/zinc/36/11/53/975361153.db2.gz VXVQBOXUTDATBH-UHFFFAOYSA-N -1 0 344.798 3.533 20 0 EHADRM CC(C)(CO)[C@@H](CNc1ncc(C(=O)[O-])cc1Cl)c1ccccc1 ZINC000647451592 975362934 /nfs/dbraw/zinc/36/29/34/975362934.db2.gz ALKZXQPRDJDEJO-AWEZNQCLSA-N -1 0 348.830 3.647 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)Nc2cccc(C(F)F)c2Cl)C1 ZINC000647699776 975374330 /nfs/dbraw/zinc/37/43/30/975374330.db2.gz FRMDSGKTWUUUMX-SFYZADRCSA-N -1 0 332.734 3.652 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N1CC2(CCC2)C[C@@H]1C)C(=O)[O-] ZINC000649265091 975406329 /nfs/dbraw/zinc/40/63/29/975406329.db2.gz QRAJVEMJCZLQDV-QWHCGFSZSA-N -1 0 333.453 3.657 20 0 EHADRM CCCc1ccccc1NC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000649537548 975423268 /nfs/dbraw/zinc/42/32/68/975423268.db2.gz JWVZARUZQVDVIZ-FQEVSTJZSA-N -1 0 340.423 3.803 20 0 EHADRM Cc1cc([C@@H](C)N2CCO[C@H](c3ccccc3F)C2)oc1C(=O)[O-] ZINC000652408637 975524093 /nfs/dbraw/zinc/52/40/93/975524093.db2.gz IFEVVGHPGJJKIR-WBMJQRKESA-N -1 0 333.359 3.560 20 0 EHADRM CC(C)CO[C@H]1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000652440878 975534626 /nfs/dbraw/zinc/53/46/26/975534626.db2.gz DJEBNDKGWYZNAZ-WFASDCNBSA-N -1 0 346.254 3.866 20 0 EHADRM CC(C)CO[C@@H]1CCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000652441083 975534691 /nfs/dbraw/zinc/53/46/91/975534691.db2.gz NNARMWZRSJNKAK-HUUCEWRRSA-N -1 0 346.254 3.866 20 0 EHADRM COc1cccc(C2CCN(C(=O)c3c([O-])cccc3F)CC2)c1 ZINC000274572351 1014267329 /nfs/dbraw/zinc/26/73/29/1014267329.db2.gz DYNJDFLRIPKMGL-UHFFFAOYSA-N -1 0 329.371 3.560 20 0 EHADRM C[C@H]1CCN(Cc2csc(-c3ccc(F)cc3)n2)[C@H](C(=O)[O-])C1 ZINC000652502905 975566792 /nfs/dbraw/zinc/56/67/92/975566792.db2.gz SNPZIRNTKUKNFI-NHYWBVRUSA-N -1 0 334.416 3.634 20 0 EHADRM CCN(Cc1ccc2ccccc2c1)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000653301466 975580782 /nfs/dbraw/zinc/58/07/82/975580782.db2.gz WZGUWFBLHVBOHD-MSOLQXFVSA-N -1 0 325.408 3.689 20 0 EHADRM CC[C@H](NC(=O)c1cccc(CC(=O)[O-])c1)C(C)(C)c1ccccc1 ZINC000653641567 975609509 /nfs/dbraw/zinc/60/95/09/975609509.db2.gz PUGPJHXDAVVBDH-SFHVURJKSA-N -1 0 339.435 3.800 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N[C@H](CC2CCC2)c2ccccc2)c1 ZINC000653643873 975612323 /nfs/dbraw/zinc/61/23/23/975612323.db2.gz WZQUPKUOEPSJAX-LJQANCHMSA-N -1 0 337.419 3.975 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)COc1ccccc1C(C)C ZINC000653645853 975616203 /nfs/dbraw/zinc/61/62/03/975616203.db2.gz OYIJVLQWNIDPAQ-UHFFFAOYSA-N -1 0 343.379 3.534 20 0 EHADRM COc1ccc2c(c1)[C@H](C(=O)Nc1ccc(C(=O)[O-])c(C)c1)CCC2 ZINC000655537220 975622984 /nfs/dbraw/zinc/62/29/84/975622984.db2.gz PNSKIKLWQMMECG-QGZVFWFLSA-N -1 0 339.391 3.760 20 0 EHADRM O=C([O-])[C@H](c1c(F)cccc1Cl)N1CCC[C@H](OC2CCC2)C1 ZINC000656191953 975644930 /nfs/dbraw/zinc/64/49/30/975644930.db2.gz TYNAKBBSXZDTKY-LRDDRELGSA-N -1 0 341.810 3.638 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cccc2c1OC(C)(C)C2 ZINC000656235035 975650654 /nfs/dbraw/zinc/65/06/54/975650654.db2.gz VFUIPTBNSLMPTB-UHFFFAOYSA-N -1 0 325.364 3.659 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)CCCc2c(F)cccc2F)c2ccccc21 ZINC000656239134 975652996 /nfs/dbraw/zinc/65/29/96/975652996.db2.gz YOBGNDCSJMIMLQ-AWEZNQCLSA-N -1 0 345.345 3.503 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)c2cc(C(=O)[O-])co2)c(F)c1 ZINC000656248799 975658268 /nfs/dbraw/zinc/65/82/68/975658268.db2.gz IWOZLMMHDAWIHS-UHFFFAOYSA-N -1 0 335.331 3.794 20 0 EHADRM CC(F)(F)c1ccccc1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000656603508 975663597 /nfs/dbraw/zinc/66/35/97/975663597.db2.gz LTUBFNCADIYHMY-UHFFFAOYSA-N -1 0 340.370 3.907 20 0 EHADRM C[C@]1(C2CC2)CN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CCO1 ZINC000656757406 975684670 /nfs/dbraw/zinc/68/46/70/975684670.db2.gz NDBPVXLSTWEARW-GOEBONIOSA-N -1 0 344.238 3.620 20 0 EHADRM C[C@@]1(C2CC2)CN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CCO1 ZINC000656757192 975684842 /nfs/dbraw/zinc/68/48/42/975684842.db2.gz LOPBRBHJJIHFHL-ZBFHGGJFSA-N -1 0 344.238 3.620 20 0 EHADRM O=C([O-])[C@@H]1CCN(Cc2nc(C(F)(F)F)cs2)[C@H]2CCCC[C@H]12 ZINC000656764690 975696864 /nfs/dbraw/zinc/69/68/64/975696864.db2.gz GVXVIBIBALBZPX-MXWKQRLJSA-N -1 0 348.390 3.627 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(-c3nccs3)cc2)CC2(CCC2)C1 ZINC000659118578 975714965 /nfs/dbraw/zinc/71/49/65/975714965.db2.gz KLAOMAXATJKTOR-UHFFFAOYSA-N -1 0 342.420 3.784 20 0 EHADRM C[C@@H](CN(C)C(=O)[C@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)[O-] ZINC000659130055 975729462 /nfs/dbraw/zinc/72/94/62/975729462.db2.gz CMWUBJMPZRAUHL-SUMWQHHRSA-N -1 0 345.826 3.651 20 0 EHADRM Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)cc1C ZINC000659142045 975742056 /nfs/dbraw/zinc/74/20/56/975742056.db2.gz PIWCYCVUUVOWEZ-VQTJNVASSA-N -1 0 349.430 3.690 20 0 EHADRM CC1(C)CC[C@@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000659153116 975752994 /nfs/dbraw/zinc/75/29/94/975752994.db2.gz XDJJMQIMJWDBQR-SJORKVTESA-N -1 0 325.408 3.908 20 0 EHADRM COc1cc(NC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)ccc1C(=O)[O-] ZINC000659152537 975753118 /nfs/dbraw/zinc/75/31/18/975753118.db2.gz AQEUZPLJPJRTKS-BBRMVZONSA-N -1 0 339.338 3.548 20 0 EHADRM CC(C)c1cccc(C(=O)N[C@@H](C)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000659158174 975756663 /nfs/dbraw/zinc/75/66/63/975756663.db2.gz XJCBEHAHDXNYAK-AWEZNQCLSA-N -1 0 341.407 3.764 20 0 EHADRM CCC1(C(=O)NCc2ccc(C(=O)[O-])s2)CCC(F)(F)CC1 ZINC000659158478 975758070 /nfs/dbraw/zinc/75/80/70/975758070.db2.gz DZOXMMBVAFVMPC-UHFFFAOYSA-N -1 0 331.384 3.668 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1cc2cc(Cl)ccc2s1)CC1CC1 ZINC000659163446 975762878 /nfs/dbraw/zinc/76/28/78/975762878.db2.gz GNLLRAZKUGFSNL-NSHDSACASA-N -1 0 337.828 3.785 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2cc(Cl)cc3ccccc32)C[C@H]1C1CC1 ZINC000659163863 975763032 /nfs/dbraw/zinc/76/30/32/975763032.db2.gz YEXTWBVQBIYKOP-DLBZAZTESA-N -1 0 343.810 3.676 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N1CC2CC1(C(=O)[O-])C2 ZINC000659180792 975775475 /nfs/dbraw/zinc/77/54/75/975775475.db2.gz YEFQWXOEGHPBAX-UHFFFAOYSA-N -1 0 335.359 3.584 20 0 EHADRM Cc1cccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)c1Cl ZINC000659189629 975785353 /nfs/dbraw/zinc/78/53/53/975785353.db2.gz HKFRJSAGEDMHKY-VNHYZAJKSA-N -1 0 335.831 3.754 20 0 EHADRM C[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21)c1cccc(Cl)c1 ZINC000659192272 975791070 /nfs/dbraw/zinc/79/10/70/975791070.db2.gz FXTYGROWEOECJX-NKKGCODLSA-N -1 0 349.858 3.935 20 0 EHADRM CC(C)Oc1c(NC(=O)NCC2(C(C)C)CC2)cccc1C(=O)[O-] ZINC001591747609 975795148 /nfs/dbraw/zinc/79/51/48/975795148.db2.gz UCJDIPPQMNVNKD-UHFFFAOYSA-N -1 0 334.416 3.730 20 0 EHADRM CSc1ccccc1C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000659194702 975795781 /nfs/dbraw/zinc/79/57/81/975795781.db2.gz MNFOIXKVWPKAHT-VNHYZAJKSA-N -1 0 333.453 3.514 20 0 EHADRM O=C([O-])c1occc1CNC(=O)C1(c2cccc(Cl)c2)CCCC1 ZINC000659197684 975804334 /nfs/dbraw/zinc/80/43/34/975804334.db2.gz JJUQAUKHOACMLY-UHFFFAOYSA-N -1 0 347.798 3.759 20 0 EHADRM C[C@@]1(CNC(=O)c2ccccc2-c2ccccc2C(=O)[O-])CC1(F)F ZINC000659199766 975806787 /nfs/dbraw/zinc/80/67/87/975806787.db2.gz UPCKNHHLCQNEKL-SFHVURJKSA-N -1 0 345.345 3.827 20 0 EHADRM O=C([O-])C[C@H](CNC(=O)C1CCC(c2ccccc2)CC1)C1CC1 ZINC000659209632 975819930 /nfs/dbraw/zinc/81/99/30/975819930.db2.gz KCFAYWCCQMQWSG-VMWRSERWSA-N -1 0 329.440 3.578 20 0 EHADRM CC(C)Oc1ccc(-c2noc([C@H]3CC[C@H](C(=O)[O-])CC3)n2)cc1 ZINC001591757209 975833366 /nfs/dbraw/zinc/83/33/66/975833366.db2.gz XAFPDEQBNTWSDR-HDJSIYSDSA-N -1 0 330.384 3.882 20 0 EHADRM CC(C)Oc1ccc(C(=O)NC2CCC(C(=O)[O-])CC2)c(Cl)c1 ZINC001591761284 975848715 /nfs/dbraw/zinc/84/87/15/975848715.db2.gz LHWZEOHFVHQUIR-UHFFFAOYSA-N -1 0 339.819 3.500 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)/C=C/c1cccc(O)c1 ZINC001591762411 975859490 /nfs/dbraw/zinc/85/94/90/975859490.db2.gz WCPCSYJNWAJJFH-RMKNXTFCSA-N -1 0 341.363 3.530 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N[C@H](C)c1cscn1 ZINC001591766980 975873564 /nfs/dbraw/zinc/87/35/64/975873564.db2.gz CCKNYJWQYLZBQY-SNVBAGLBSA-N -1 0 349.412 3.511 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1onc2ccccc21 ZINC001591772032 975903902 /nfs/dbraw/zinc/90/39/02/975903902.db2.gz XHKRNFBUSQSMNX-UHFFFAOYSA-N -1 0 340.335 3.566 20 0 EHADRM CC(C)Oc1ccc(NC(=O)/C=C\c2cccc(F)c2)c(C(=O)[O-])c1 ZINC001591779829 975943281 /nfs/dbraw/zinc/94/32/81/975943281.db2.gz CCHFNXLKGKFZIX-TWGQIWQCSA-N -1 0 343.354 3.963 20 0 EHADRM Cc1cc(Cl)c2ccccc2c1NC(=O)NCC1(C(=O)[O-])CC1 ZINC000663352300 975946513 /nfs/dbraw/zinc/94/65/13/975946513.db2.gz OFEYQNAWELASER-UHFFFAOYSA-N -1 0 332.787 3.788 20 0 EHADRM Cc1nc2scc(C3CC3)n2c1CNc1cccc(CC(=O)[O-])c1 ZINC000666578176 975974624 /nfs/dbraw/zinc/97/46/24/975974624.db2.gz XTYNJAIUKBHZBY-UHFFFAOYSA-N -1 0 341.436 3.821 20 0 EHADRM Cc1nn2c(nc(C(C)C)c2CNc2ccc(C(=O)[O-])c(C)c2)s1 ZINC000666582558 975975012 /nfs/dbraw/zinc/97/50/12/975975012.db2.gz DCJAOHVHZORDJT-UHFFFAOYSA-N -1 0 344.440 3.841 20 0 EHADRM Cc1cccc([C@@H]2CCN(C(=O)CCc3ccccc3C(=O)[O-])C2)c1 ZINC000668299074 975990843 /nfs/dbraw/zinc/99/08/43/975990843.db2.gz SLPWEXYEURUPFG-GOSISDBHSA-N -1 0 337.419 3.642 20 0 EHADRM Cc1cccc([C@H]2CCN(C(=O)CCc3ccc(C(=O)[O-])cc3)C2)c1 ZINC000668298973 975991631 /nfs/dbraw/zinc/99/16/31/975991631.db2.gz PGFDYBXWFAJKLB-IBGZPJMESA-N -1 0 337.419 3.642 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N(CCC(=O)[O-])Cc3ccccc3)cc2c1 ZINC000675945469 976015735 /nfs/dbraw/zinc/01/57/35/976015735.db2.gz LRDGRMGPXCHRMR-UHFFFAOYSA-N -1 0 336.391 3.593 20 0 EHADRM CCc1ccc([C@H](C)C(=O)NCC2(CC(=O)[O-])CCCCC2)cc1 ZINC000679098206 976041606 /nfs/dbraw/zinc/04/16/06/976041606.db2.gz SAQPOFZUTXUPJG-HNNXBMFYSA-N -1 0 331.456 3.894 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)CSc1ccc2ccccc2c1 ZINC000679400483 976051517 /nfs/dbraw/zinc/05/15/17/976051517.db2.gz PFHOKIGJUZOVRS-MRXNPFEDSA-N -1 0 343.448 3.788 20 0 EHADRM O=C([O-])[C@H](NCc1cc2cc(F)ccc2o1)c1cc(F)ccc1F ZINC000683172289 976078183 /nfs/dbraw/zinc/07/81/83/976078183.db2.gz BZTYYDVWSPVNIY-MRXNPFEDSA-N -1 0 335.281 3.766 20 0 EHADRM CC(C)[C@@H]1C[C@H](NC(=O)Cc2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC001591845835 976123495 /nfs/dbraw/zinc/12/34/95/976123495.db2.gz BJEANLDFDZNSDK-OALUTQOASA-N -1 0 337.419 3.928 20 0 EHADRM CC(C)c1cc(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)nn1C ZINC001591930752 976425219 /nfs/dbraw/zinc/42/52/19/976425219.db2.gz FGQYOZBHRHFGRZ-UHFFFAOYSA-N -1 0 337.379 3.647 20 0 EHADRM CC(C)c1ccc(-n2ccnc2SCC(=O)CCC(=O)[O-])cc1 ZINC001591943151 976475413 /nfs/dbraw/zinc/47/54/13/976475413.db2.gz FLXIJOQPSXMYTH-UHFFFAOYSA-N -1 0 332.425 3.522 20 0 EHADRM CC(C)c1ccc(C2(C(=O)N3CC(C)(C(=O)[O-])C3)CCCCC2)cc1 ZINC001591948523 976500460 /nfs/dbraw/zinc/50/04/60/976500460.db2.gz HVKKGUDHRMLTNJ-UHFFFAOYSA-N -1 0 343.467 3.945 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)NC[C@H](CC2CC2)C(=O)[O-])cc1 ZINC001591949076 976504567 /nfs/dbraw/zinc/50/45/67/976504567.db2.gz QPXXYFXYCYIYSS-JXCVUKRWSA-N -1 0 329.440 3.830 20 0 EHADRM CC(C)c1ccc([C@H](NC(=S)NCCCC(=O)[O-])C(C)C)cc1 ZINC001591949306 976505550 /nfs/dbraw/zinc/50/55/50/976505550.db2.gz TVUGCQHQTOEGKY-QGZVFWFLSA-N -1 0 336.501 3.836 20 0 EHADRM CC(C)c1ccc(CCCNC(=O)N2CCC[C@](C)(C(=O)[O-])C2)cc1 ZINC001591953390 976518690 /nfs/dbraw/zinc/51/86/90/976518690.db2.gz ZWYUQXFLQDKSGN-FQEVSTJZSA-N -1 0 346.471 3.639 20 0 EHADRM CC(C)c1ccc(NC(=O)N[C@@](C)(CC(=O)[O-])c2cccnc2)cc1 ZINC001591965213 976555857 /nfs/dbraw/zinc/55/58/57/976555857.db2.gz HVRVJYYEHPTFDV-IBGZPJMESA-N -1 0 341.411 3.717 20 0 EHADRM CC(C)c1ccc(OS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1 ZINC001591973224 976575161 /nfs/dbraw/zinc/57/51/61/976575161.db2.gz WCLRZXGZFMQDNY-XGICHPGQSA-N -1 0 346.404 3.676 20 0 EHADRM CC(C)c1ccc2ncnc(Nc3cnn(C(C)(C)C(=O)[O-])c3)c2c1 ZINC001591980645 976595176 /nfs/dbraw/zinc/59/51/76/976595176.db2.gz JHDZRJVNUIMSIE-UHFFFAOYSA-N -1 0 339.399 3.513 20 0 EHADRM CC(C)c1cnc(CN[C@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])o1 ZINC001592002787 976655691 /nfs/dbraw/zinc/65/56/91/976655691.db2.gz ICMLEBAVUNNJGK-QGZVFWFLSA-N -1 0 336.819 3.627 20 0 EHADRM CC(C)c1nc([C@@H]2CCCCN2Cc2ccc(C(=O)[O-])cc2F)no1 ZINC001592016178 976701517 /nfs/dbraw/zinc/70/15/17/976701517.db2.gz WLMJFXIWXCWTHI-HNNXBMFYSA-N -1 0 347.390 3.758 20 0 EHADRM CC(C)c1nc(NC(=O)c2ccc3ccccc3n2)sc1C(=O)[O-] ZINC001592028473 976728277 /nfs/dbraw/zinc/72/82/77/976728277.db2.gz JWANBLSJEHYQSK-UHFFFAOYSA-N -1 0 341.392 3.765 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)N[C@@H]3CCC[C@@H]3C(=O)[O-])cc2s1 ZINC001592031356 976739738 /nfs/dbraw/zinc/73/97/38/976739738.db2.gz CJFFOFQNTCEVIK-NWDGAFQWSA-N -1 0 347.440 3.795 20 0 EHADRM CC(C)c1scnc1C(=O)OCc1cc(C(=O)[O-])ccc1Cl ZINC001592117524 976921384 /nfs/dbraw/zinc/92/13/84/976921384.db2.gz REIVFQLOLZRTGU-UHFFFAOYSA-N -1 0 339.800 3.975 20 0 EHADRM CC(C)n1c(S[C@H](C(=O)[O-])C(C)(C)C)nc2ccccc2c1=O ZINC001592121320 976928123 /nfs/dbraw/zinc/92/81/23/976928123.db2.gz NUTBWMQUZQWRBT-CYBMUJFWSA-N -1 0 334.441 3.569 20 0 EHADRM CC(C)n1cc(COc2cc(-c3ccccc3)sc2C(=O)[O-])nn1 ZINC001592126820 976950239 /nfs/dbraw/zinc/95/02/39/976950239.db2.gz IIRPREUAQDUOOW-UHFFFAOYSA-N -1 0 343.408 3.865 20 0 EHADRM C[C@@H](/C=C/C(=O)[O-])NC(=O)CCCCc1ccc(Cl)c(Cl)c1 ZINC001592189419 977117839 /nfs/dbraw/zinc/11/78/39/977117839.db2.gz ABZRKAXRQHKSIR-LAHYYIKRSA-N -1 0 344.238 3.852 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)C[C@H](C)c1ccccc1 ZINC001592227668 977424736 /nfs/dbraw/zinc/42/47/36/977424736.db2.gz PVSJWGNOCOPBMK-JKSUJKDBSA-N -1 0 325.408 3.682 20 0 EHADRM C[C@H](CC(=O)N1CCc2ccc(C(=O)[O-])cc21)c1ccc(F)cc1 ZINC001592235640 977440286 /nfs/dbraw/zinc/44/02/86/977440286.db2.gz AHLGKPUUPRNPJW-GFCCVEGCSA-N -1 0 327.355 3.607 20 0 EHADRM C[C@H](CC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)c1ccco1 ZINC001592261632 977502976 /nfs/dbraw/zinc/50/29/76/977502976.db2.gz FRMHNXMKCKTNCJ-CYBMUJFWSA-N -1 0 342.395 3.710 20 0 EHADRM C[C@H](CC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)c1cccc(F)c1 ZINC001592262062 977506072 /nfs/dbraw/zinc/50/60/72/977506072.db2.gz NBZQDACFAYGFNO-SECBINFHSA-N -1 0 337.297 3.934 20 0 EHADRM C[C@H](CC(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1)c1c[nH]c2ccccc12 ZINC001592262110 977506809 /nfs/dbraw/zinc/50/68/09/977506809.db2.gz OQMGBODVDVWGLC-ARGWCVDVSA-N -1 0 342.439 3.811 20 0 EHADRM C[C@@H](CC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1)C(F)(F)F ZINC001592262151 977507082 /nfs/dbraw/zinc/50/70/82/977507082.db2.gz PZQMDJNNPVIKBJ-YFKPBYRVSA-N -1 0 327.661 3.704 20 0 EHADRM C/C=C\C[C@H](NC(=O)Nc1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000654798621 1014419692 /nfs/dbraw/zinc/41/96/92/1014419692.db2.gz MVBKLTBFXMBMIJ-ZRMMWKCHSA-N -1 0 344.333 3.722 20 0 EHADRM Nc1ccccc1-c1nccn1-c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001211489532 1014420205 /nfs/dbraw/zinc/42/02/05/1014420205.db2.gz BJUZKFIIFKIGEL-UHFFFAOYSA-N -1 0 347.296 3.839 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1nc2c(ccc3c2CCCC3)s1 ZINC001592396377 977958601 /nfs/dbraw/zinc/95/86/01/977958601.db2.gz UNJPAUWZWUCBJT-SNVBAGLBSA-N -1 0 332.425 3.615 20 0 EHADRM C[C@H](CC(C)(C)CC(=O)[O-])Nc1ccc([C@H](O)C(F)(F)F)cc1 ZINC001592446118 978122076 /nfs/dbraw/zinc/12/20/76/978122076.db2.gz STYIHANRULPLEV-YGRLFVJLSA-N -1 0 333.350 3.974 20 0 EHADRM COc1cccc(CO)c1Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001211490044 1014465305 /nfs/dbraw/zinc/46/53/05/1014465305.db2.gz NHPNOLCWUACJJZ-UHFFFAOYSA-N -1 0 341.285 3.648 20 0 EHADRM C[C@@H](CCC(=O)NC[C@@H](C(=O)[O-])C1CCCCC1)c1ccccc1 ZINC001592471776 978234018 /nfs/dbraw/zinc/23/40/18/978234018.db2.gz VNDLIHJXENMTEX-MAUKXSAKSA-N -1 0 331.456 3.968 20 0 EHADRM C[C@H](CCCC(F)(F)F)NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001592478127 978249384 /nfs/dbraw/zinc/24/93/84/978249384.db2.gz RQVVKFXPMGCEOG-LLVKDONJSA-N -1 0 346.349 3.647 20 0 EHADRM C[C@H](CCC1CCCCC1)NC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001592478132 978249516 /nfs/dbraw/zinc/24/95/16/978249516.db2.gz RTMGWDTTZAKVQW-OAHLLOKOSA-N -1 0 346.471 3.976 20 0 EHADRM CC(C)(C(=O)N1C[C@H](C(=O)[O-])c2ccccc21)c1ccc(Cl)cc1 ZINC000736224152 978311253 /nfs/dbraw/zinc/31/12/53/978311253.db2.gz OMKANZAULLVLKW-HNNXBMFYSA-N -1 0 343.810 3.833 20 0 EHADRM C[C@@H](NC(=O)CCCN(C)C(=O)[O-])c1cc(Cl)ccc1Cl ZINC000736636624 978346558 /nfs/dbraw/zinc/34/65/58/978346558.db2.gz MFFBLMQDBFUZER-SECBINFHSA-N -1 0 333.215 3.561 20 0 EHADRM C[C@@H](CCN1C[C@H](C(=O)[O-])Oc2cc(F)ccc21)c1ccccc1 ZINC001592513810 978350075 /nfs/dbraw/zinc/35/00/75/978350075.db2.gz KNKFZLMCXMXEDC-SCLBCKFNSA-N -1 0 329.371 3.672 20 0 EHADRM C[C@@H](CCc1ccc(F)cc1)C(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001592539584 978418672 /nfs/dbraw/zinc/41/86/72/978418672.db2.gz HQQDYAMLAKETIX-XOBRGWDASA-N -1 0 349.446 3.934 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cccc3c(C)ccnc32)cc1F ZINC000547631232 1014485140 /nfs/dbraw/zinc/48/51/40/1014485140.db2.gz CFXGUYFVAUTRAU-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM C[C@H](CN(C)C(=O)NCc1ccccc1CC(=O)[O-])C1CCCCC1 ZINC001592574730 978473926 /nfs/dbraw/zinc/47/39/26/978473926.db2.gz OUVYPHZFWMRSSY-OAHLLOKOSA-N -1 0 346.471 3.672 20 0 EHADRM O=C([O-])NCCCC(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000739965506 978661097 /nfs/dbraw/zinc/66/10/97/978661097.db2.gz WHKNMZXEPFXCBU-INIZCTEOSA-N -1 0 338.835 3.735 20 0 EHADRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)/C=C\c1cccs1 ZINC000746376748 978684930 /nfs/dbraw/zinc/68/49/30/978684930.db2.gz LJOYFORQIMNJMO-FPLPWBNLSA-N -1 0 335.812 3.528 20 0 EHADRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)/C=C\C1CCCCC1 ZINC000762239780 978720065 /nfs/dbraw/zinc/72/00/65/978720065.db2.gz XNIAJDDEIOTMKE-LVWOJMJRSA-N -1 0 329.440 3.715 20 0 EHADRM C[C@@H](CC(=O)N1CCc2cc(C(=O)[O-])ccc21)c1ccc(F)cc1 ZINC000766845350 978726956 /nfs/dbraw/zinc/72/69/56/978726956.db2.gz NPELDMGBNQAARL-LBPRGKRZSA-N -1 0 327.355 3.607 20 0 EHADRM O=C([O-])c1cc(NC(=O)Cn2ccc3ccc(Cl)cc32)ccc1F ZINC000767090877 978734343 /nfs/dbraw/zinc/73/43/43/978734343.db2.gz ZDVVWGRAKOOSMI-UHFFFAOYSA-N -1 0 346.745 3.771 20 0 EHADRM CC(C)(C)c1ccc(OCC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000767199566 978736536 /nfs/dbraw/zinc/73/65/36/978736536.db2.gz JHACDNXPVGCEEI-UHFFFAOYSA-N -1 0 345.370 3.839 20 0 EHADRM CC[C@H](NC(=O)c1cc(C(=O)[O-])ccc1Cl)c1nc(C)cs1 ZINC000811816749 978860750 /nfs/dbraw/zinc/86/07/50/978860750.db2.gz GKCANMCTDMYYPE-LBPRGKRZSA-N -1 0 338.816 3.684 20 0 EHADRM CC[C@H](Cc1ccccc1)NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811822653 978867743 /nfs/dbraw/zinc/86/77/43/978867743.db2.gz IUMGGTYSLMQBLE-CQSZACIVSA-N -1 0 331.799 3.789 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)NC(CC)(CC)C(=O)[O-] ZINC000829014780 978991515 /nfs/dbraw/zinc/99/15/15/978991515.db2.gz PWARXEOUWCMPQP-OAHLLOKOSA-N -1 0 335.444 3.727 20 0 EHADRM CCO[C@H](C)c1ncc(C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)s1 ZINC000829907112 979009743 /nfs/dbraw/zinc/00/97/43/979009743.db2.gz AQZINCDSZHATSY-SNVBAGLBSA-N -1 0 349.412 3.607 20 0 EHADRM C[C@@H](CNC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21)C(C)(C)C ZINC001592672255 979075776 /nfs/dbraw/zinc/07/57/76/979075776.db2.gz AZQWDQBBZWGASS-BBRMVZONSA-N -1 0 346.471 3.786 20 0 EHADRM C[C@@H](CNC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)CC(F)F ZINC001592674138 979083710 /nfs/dbraw/zinc/08/37/10/979083710.db2.gz CQGUCBNJCMLKKU-ZCFIWIBFSA-N -1 0 338.713 3.590 20 0 EHADRM O=C([O-])c1cc(C(=O)N[C@@H](c2ccccc2)C2CCCCC2)ccn1 ZINC000833127905 979088655 /nfs/dbraw/zinc/08/86/55/979088655.db2.gz LVGFETAJGSKYQX-SFHVURJKSA-N -1 0 338.407 3.831 20 0 EHADRM C[C@@H](CNC(=O)Nc1cccc(SCCC(=O)[O-])c1)CC(F)F ZINC001592682969 979108316 /nfs/dbraw/zinc/10/83/16/979108316.db2.gz JJJYFHCLXYYAPW-SNVBAGLBSA-N -1 0 346.399 3.666 20 0 EHADRM CC[C@H](C)n1ncc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1C ZINC001595023116 979113741 /nfs/dbraw/zinc/11/37/41/979113741.db2.gz GSMRTIJUQIFOER-LBPRGKRZSA-N -1 0 343.427 3.777 20 0 EHADRM CC[C@H](C)n1nc(NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1C ZINC001595024620 979129809 /nfs/dbraw/zinc/12/98/09/979129809.db2.gz YHKDHYMRRHYKNQ-VIFPVBQESA-N -1 0 334.351 3.644 20 0 EHADRM CC[C@H](C)n1ncc(N[C@H](C)c2cncc(C(=O)[O-])c2)c1C1CC1 ZINC001595027322 979141668 /nfs/dbraw/zinc/14/16/68/979141668.db2.gz SFSLSTLIHGNODY-NWDGAFQWSA-N -1 0 328.416 3.998 20 0 EHADRM CC(C)c1ccc(O[C@H](C)CNC(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC001592696906 979151294 /nfs/dbraw/zinc/15/12/94/979151294.db2.gz LREQVRMVTMVYRB-CQSZACIVSA-N -1 0 341.407 3.706 20 0 EHADRM CC[C@@H](C)n1nccc1C(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1 ZINC001595029065 979155242 /nfs/dbraw/zinc/15/52/42/979155242.db2.gz TZDWIRZQHSAOAT-ZBFHGGJFSA-N -1 0 349.475 3.788 20 0 EHADRM CC[C@H](CC(=O)NC[C@@](CC)(C(=O)[O-])c1ccccc1)C(C)(C)C ZINC001595033894 979179187 /nfs/dbraw/zinc/17/91/87/979179187.db2.gz SULSXSMCLLSWRO-FOIQADDNSA-N -1 0 333.472 3.998 20 0 EHADRM CC[C@H](CC(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)[O-])C(C)C ZINC001595034042 979180344 /nfs/dbraw/zinc/18/03/44/979180344.db2.gz XNTPYRUKKQCOAX-CZUORRHYSA-N -1 0 331.412 3.617 20 0 EHADRM CC[C@H](CC(F)(F)F)C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC001595038039 979207062 /nfs/dbraw/zinc/20/70/62/979207062.db2.gz CAOABQSLJBEVFJ-LLVKDONJSA-N -1 0 347.333 3.847 20 0 EHADRM CC[C@H](CC(F)F)C(=O)Nc1c2ccc(C)nc2sc1C(=O)[O-] ZINC001595041602 979226804 /nfs/dbraw/zinc/22/68/04/979226804.db2.gz BSZOALLUARDRLO-MRVPVSSYSA-N -1 0 342.367 3.923 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)COC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC001595041857 979229522 /nfs/dbraw/zinc/22/95/22/979229522.db2.gz YMZRZKHUIBAGAX-VIFPVBQESA-N -1 0 346.832 3.508 20 0 EHADRM CC[C@@H](CC(F)(F)F)NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001595042406 979234459 /nfs/dbraw/zinc/23/44/59/979234459.db2.gz LIRPEZYUHVYUQQ-ZETCQYMHSA-N -1 0 338.713 3.891 20 0 EHADRM C[C@H](CNc1nccnc1C(=O)[O-])c1c(Cl)cccc1Cl ZINC001592730523 979249795 /nfs/dbraw/zinc/24/97/95/979249795.db2.gz XAJDHNUPPPEOED-MRVPVSSYSA-N -1 0 326.183 3.697 20 0 EHADRM O=C([O-])c1ccccc1-c1ccccc1C(=O)N[C@@H]1CCCSC1 ZINC000836742071 979250746 /nfs/dbraw/zinc/25/07/46/979250746.db2.gz WJNCOUACVLUFBO-CYBMUJFWSA-N -1 0 341.432 3.677 20 0 EHADRM C/C(=C/C(=O)NCCC(C)(C)C(=O)[O-])c1ccccc1C(F)(F)F ZINC000836750073 979253607 /nfs/dbraw/zinc/25/36/07/979253607.db2.gz VROKSKPMKFWILH-KHPPLWFESA-N -1 0 343.345 3.726 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(C)c(-n2cccc2)c1 ZINC001595053579 979287814 /nfs/dbraw/zinc/28/78/14/979287814.db2.gz ZJPREZUGEJCHJO-UHFFFAOYSA-N -1 0 328.412 3.549 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cccc(F)c2)ccc1N1CCCCC1 ZINC000841502306 979305033 /nfs/dbraw/zinc/30/50/33/979305033.db2.gz YYUOCNYUMZFACL-UHFFFAOYSA-N -1 0 342.370 3.767 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2nc(Cc3ccccc3)cs2)C1 ZINC000842571953 979319972 /nfs/dbraw/zinc/31/99/72/979319972.db2.gz ZLPFEWVDGIQLKI-KGLIPLIRSA-N -1 0 344.436 3.563 20 0 EHADRM Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)CCCC(=O)[O-] ZINC000844251709 979394389 /nfs/dbraw/zinc/39/43/89/979394389.db2.gz ABFDNIBABYYZIP-CYBMUJFWSA-N -1 0 346.452 3.893 20 0 EHADRM CCC(CC)(NC(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC001595097701 979394607 /nfs/dbraw/zinc/39/46/07/979394607.db2.gz HSOSOSRGDPRLGS-UHFFFAOYSA-N -1 0 337.725 3.732 20 0 EHADRM CCCC(C)(C)C(=O)NCc1ccc(C(=O)[O-])cc1Br ZINC000846118173 979406943 /nfs/dbraw/zinc/40/69/43/979406943.db2.gz VDCYSBKZYJMDMZ-UHFFFAOYSA-N -1 0 342.233 3.590 20 0 EHADRM CCC(CC)[C@H](CCNC(=O)Nc1ccc(C(=O)[O-])cc1C)OC ZINC001595106607 979433912 /nfs/dbraw/zinc/43/39/12/979433912.db2.gz TYXZUYGLPZSHDT-INIZCTEOSA-N -1 0 336.432 3.656 20 0 EHADRM CCC(CC)[C@@H](NC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)c1cccs1 ZINC001595109749 979446471 /nfs/dbraw/zinc/44/64/71/979446471.db2.gz LFXZLDVYMBWKDF-UXIGCNINSA-N -1 0 338.473 3.588 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)N([C@@H](C)C(=O)[O-])C2CCC2)cc1 ZINC001595121567 979493061 /nfs/dbraw/zinc/49/30/61/979493061.db2.gz PTDXKLQEBIBHFG-ZDUSSCGKSA-N -1 0 333.428 3.722 20 0 EHADRM Cc1ccc(CN(C(=O)c2ccc(/C=C\C(=O)[O-])o2)C2CC2)cc1C ZINC000851595129 979507302 /nfs/dbraw/zinc/50/73/02/979507302.db2.gz MXZNDWMDPFFUFG-NTMALXAHSA-N -1 0 339.391 3.799 20 0 EHADRM CC[C@@H](CC1CCCCC1)C(=O)N[C@](C)(CC(=O)[O-])c1cccnc1 ZINC001595125669 979509493 /nfs/dbraw/zinc/50/94/93/979509493.db2.gz FUGXHORMAMHXHH-OXJNMPFZSA-N -1 0 346.471 3.884 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC001595126331 979517166 /nfs/dbraw/zinc/51/71/66/979517166.db2.gz PQPRDUZGLCBJIW-MRXNPFEDSA-N -1 0 349.475 3.564 20 0 EHADRM CN(C(=O)c1ccc(/C=C/C(=O)[O-])o1)[C@H]1CCCc2ccccc21 ZINC000851602509 979523731 /nfs/dbraw/zinc/52/37/31/979523731.db2.gz VVXMSEQYJLMOIO-TYZQSYOASA-N -1 0 325.364 3.527 20 0 EHADRM CC[C@@H](CN(CC)C(=O)Nc1ccc(C(=O)[O-])nc1)c1ccccc1 ZINC001595130080 979540220 /nfs/dbraw/zinc/54/02/20/979540220.db2.gz UEBLLESUACNZPG-AWEZNQCLSA-N -1 0 341.411 3.827 20 0 EHADRM C[C@@H](Cc1c(Cl)cccc1Cl)Nc1nccc(C(=O)[O-])n1 ZINC001592832349 979564004 /nfs/dbraw/zinc/56/40/04/979564004.db2.gz OXCIXXWIUIFJCO-QMMMGPOBSA-N -1 0 326.183 3.525 20 0 EHADRM C[C@H](CSc1ccccc1)N(C)C(=O)c1ccc(C(=O)[O-])cc1F ZINC001592832346 979564019 /nfs/dbraw/zinc/56/40/19/979564019.db2.gz OSEZYMFOVMQGQN-GFCCVEGCSA-N -1 0 347.411 3.777 20 0 EHADRM C[C@@](Cc1ccc(Cl)cc1)(NC(=O)C1CCC2(CC2)CC1)C(=O)[O-] ZINC001592838251 979585856 /nfs/dbraw/zinc/58/58/56/979585856.db2.gz KZVSCFTXCPNZOT-SFHVURJKSA-N -1 0 349.858 3.812 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NCC(C)(C)CC(=O)[O-] ZINC001592838320 979586846 /nfs/dbraw/zinc/58/68/46/979586846.db2.gz BCNFXDGYSLVGLW-SNVBAGLBSA-N -1 0 346.254 3.789 20 0 EHADRM CC[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1OC)c1ccccc1 ZINC001595153367 979652890 /nfs/dbraw/zinc/65/28/90/979652890.db2.gz WXYBELOTQDLEAZ-ZDUSSCGKSA-N -1 0 342.395 3.709 20 0 EHADRM COc1ccc([C@@H](NC(=O)/C=C\c2cc(C(=O)[O-])co2)C(C)C)cc1 ZINC000864101093 979684921 /nfs/dbraw/zinc/68/49/21/979684921.db2.gz JHNSRDWWEMKGKF-GIFJBRJJSA-N -1 0 343.379 3.513 20 0 EHADRM Cc1ccc([C@H](NC(=O)/C=C\c2cc(C(=O)[O-])co2)C2CC2)cc1 ZINC000864101850 979685927 /nfs/dbraw/zinc/68/59/27/979685927.db2.gz RQYPGPHGAHNFTL-GIFJBRJJSA-N -1 0 325.364 3.567 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N2CC3(CCC3)C[C@H]2C)cc1)C(=O)[O-] ZINC001592860191 979688586 /nfs/dbraw/zinc/68/85/86/979688586.db2.gz GCYQBJKMVACZRI-ZIAGYGMSSA-N -1 0 330.428 3.746 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)/C=C\c2cc(C(=O)[O-])co2)cc1 ZINC000864103234 979688757 /nfs/dbraw/zinc/68/87/57/979688757.db2.gz XGMZIFWCRYUUBE-XZVRFQMRSA-N -1 0 325.364 3.663 20 0 EHADRM COc1ccccc1[C@H]1CCCN1C(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000864107933 979697097 /nfs/dbraw/zinc/69/70/97/979697097.db2.gz DZEZSWYAQRKNMX-QGZVFWFLSA-N -1 0 339.391 3.679 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)NC(C)(C)CC(F)(F)F)cc1)C(=O)[O-] ZINC001592866904 979713129 /nfs/dbraw/zinc/71/31/29/979713129.db2.gz MWFCPLRXFGTLKT-JTQLQIEISA-N -1 0 346.349 3.802 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N[C@@H]2CC3CCC2CC3)cc1)C(=O)[O-] ZINC001592866961 979713367 /nfs/dbraw/zinc/71/33/67/979713367.db2.gz NCDXGZZGUKSRLB-IGHZYHEGSA-N -1 0 330.428 3.650 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N2CCc3c2cccc3F)cc1)C(=O)[O-] ZINC001592867299 979714039 /nfs/dbraw/zinc/71/40/39/979714039.db2.gz OBTKTMASBDHVHD-GFCCVEGCSA-N -1 0 342.370 3.684 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2ccccc2-n2cccc2)cc1)C(=O)[O-] ZINC001592872919 979732676 /nfs/dbraw/zinc/73/26/76/979732676.db2.gz PPFVNTDUIDFSDZ-OAHLLOKOSA-N -1 0 348.402 3.993 20 0 EHADRM C[C@@H](CCc1ccc(F)cc1)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000864131782 979733770 /nfs/dbraw/zinc/73/37/70/979733770.db2.gz BMWBQOATZHGVPV-HOCLYGCPSA-N -1 0 349.446 3.744 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2c[nH]c(-c3ccccc3)n2)cc1)C(=O)[O-] ZINC001592873469 979736005 /nfs/dbraw/zinc/73/60/05/979736005.db2.gz UWPYPJZTKIJAAV-ZDUSSCGKSA-N -1 0 349.390 3.592 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)NCC[C@]2(C)CC2(F)F)cc1)C(=O)[O-] ZINC001592873920 979737871 /nfs/dbraw/zinc/73/78/71/979737871.db2.gz WRTWLXOBXCTGIV-BDJLRTHQSA-N -1 0 340.370 3.507 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)NCC[C@]2(C)CC2(F)F)cc1)C(=O)[O-] ZINC001592873923 979738178 /nfs/dbraw/zinc/73/81/78/979738178.db2.gz WRTWLXOBXCTGIV-MEDUHNTESA-N -1 0 340.370 3.507 20 0 EHADRM CCC(CC)(NC(=O)c1ccc(-c2ccccc2OC)s1)C(=O)[O-] ZINC000864139882 979744708 /nfs/dbraw/zinc/74/47/08/979744708.db2.gz OXYQYELWWGTFAA-UHFFFAOYSA-N -1 0 347.436 3.797 20 0 EHADRM C[C@@H](Cc1ccc(NCc2cccnc2C(F)(F)F)cc1)C(=O)[O-] ZINC001592878285 979749281 /nfs/dbraw/zinc/74/92/81/979749281.db2.gz ZRYMOHLINGDYIZ-NSHDSACASA-N -1 0 338.329 3.976 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCO3)cc1C(=O)[O-] ZINC000864155242 979766790 /nfs/dbraw/zinc/76/67/90/979766790.db2.gz JISUVPJFMRBKSX-ZDUSSCGKSA-N -1 0 339.391 3.509 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001592889782 979774625 /nfs/dbraw/zinc/77/46/25/979774625.db2.gz AQXGBZHYQSDICE-GFCCVEGCSA-N -1 0 331.799 3.784 20 0 EHADRM C[C@](Cc1ccccc1)(NC(=O)c1c[nH]c(C(=O)[O-])c1)c1ccccc1 ZINC001592891486 979783335 /nfs/dbraw/zinc/78/33/35/979783335.db2.gz MPMNZTTVHUIXOV-OAQYLSRUSA-N -1 0 348.402 3.601 20 0 EHADRM C[C@](Cc1ccc(Cl)cc1)(NC(=O)c1ccoc1C1CC1)C(=O)[O-] ZINC000864196987 979863259 /nfs/dbraw/zinc/86/32/59/979863259.db2.gz VEKGUXMPXPCBTM-GOSISDBHSA-N -1 0 347.798 3.626 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)c1cc2c(ccc3ccccc23)[nH]1)C1CC1 ZINC000864204395 979886358 /nfs/dbraw/zinc/88/63/58/979886358.db2.gz YCUKGNQDIQMSIL-HXUWFJFHSA-N -1 0 336.391 3.694 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000864226973 979914874 /nfs/dbraw/zinc/91/48/74/979914874.db2.gz SKIWHMIYUGSKGZ-RKVPGOIHSA-N -1 0 345.439 3.577 20 0 EHADRM CCCc1nc(C)c(C(=O)N[C@@H](CC(=O)[O-])c2cccc(C)c2)s1 ZINC000864229125 979922972 /nfs/dbraw/zinc/92/29/72/979922972.db2.gz SHVXYVGRWSVYMT-AWEZNQCLSA-N -1 0 346.452 3.658 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)CCCc2ccccc2)c1 ZINC000864230062 979927249 /nfs/dbraw/zinc/92/72/49/979927249.db2.gz ZPYSUPQRCULLCI-SFHVURJKSA-N -1 0 325.408 3.650 20 0 EHADRM CCC[C@@H](C(=O)N[C@H](CC(=O)[O-])c1cccc(C)c1)c1ccccn1 ZINC000864230812 979928838 /nfs/dbraw/zinc/92/88/38/979928838.db2.gz AWILTIDNLJAWHT-SJLPKXTDSA-N -1 0 340.423 3.606 20 0 EHADRM CC(F)(F)c1ccccc1NC(=O)NCCc1cccc(C(=O)[O-])c1 ZINC001592943714 980015605 /nfs/dbraw/zinc/01/56/05/980015605.db2.gz AKPUDKJNRKSWTI-UHFFFAOYSA-N -1 0 348.349 3.861 20 0 EHADRM CC(F)(F)c1ccccc1NC(=O)NCc1ccccc1CC(=O)[O-] ZINC001592944071 980019368 /nfs/dbraw/zinc/01/93/68/980019368.db2.gz IGZGBJOXCWSKEH-UHFFFAOYSA-N -1 0 348.349 3.747 20 0 EHADRM CC[C@@H](NC(=O)/C(=C\c1cccc(Cl)c1)c1cccs1)C(=O)[O-] ZINC001595230773 980099895 /nfs/dbraw/zinc/09/98/95/980099895.db2.gz RTGJHIKDZHVZDR-QLKUMGTLSA-N -1 0 349.839 3.922 20 0 EHADRM CC[C@@](NC(=O)/C(C)=C\c1ccc(C)cc1)(C(=O)[O-])c1ccccc1 ZINC001595232575 980124554 /nfs/dbraw/zinc/12/45/54/980124554.db2.gz DOCGFNACGREDJR-XLEIFJPLSA-N -1 0 337.419 3.905 20 0 EHADRM CC[C@](NC(=O)/C=C/c1ccccc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595237467 980145986 /nfs/dbraw/zinc/14/59/86/980145986.db2.gz ISMSTHRCMKDPJD-BNOPAZPUSA-N -1 0 343.810 3.860 20 0 EHADRM CC[C@@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccc(Cl)cc1 ZINC001595237934 980152124 /nfs/dbraw/zinc/15/21/24/980152124.db2.gz ZVGFJOKFDPEWFJ-QQBNSCQMSA-N -1 0 333.771 3.912 20 0 EHADRM CC[C@](NC(=O)C[C@@H]1CC=CCC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595238557 980155932 /nfs/dbraw/zinc/15/59/32/980155932.db2.gz STKOMSLBPOBOCK-FZKQIMNGSA-N -1 0 335.831 3.893 20 0 EHADRM C[C@@H](NC(=O)C1(C2CCCCC2)CC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001592993510 980195253 /nfs/dbraw/zinc/19/52/53/980195253.db2.gz DSFAEBJUYCTTDC-CRAIPNDOSA-N -1 0 343.467 3.795 20 0 EHADRM CC[C@@H](NC(=O)NC[C@@H](CC(=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC001595248959 980200314 /nfs/dbraw/zinc/20/03/14/980200314.db2.gz FBNTUIFJPKKBLY-UKRRQHHQSA-N -1 0 338.835 3.591 20 0 EHADRM CC[C@@H](NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1cccc2ccccc21 ZINC001595253227 980228384 /nfs/dbraw/zinc/22/83/84/980228384.db2.gz WQQOZZHKICQDIX-RVKKMQEKSA-N -1 0 340.423 3.843 20 0 EHADRM CC[C@@H](NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)[C@@H]1CC1(C)C ZINC001595256362 980236691 /nfs/dbraw/zinc/23/66/91/980236691.db2.gz BFKMIKVRWUINFG-JOYOIKCWSA-N -1 0 326.343 3.609 20 0 EHADRM C[C@H](NC(=O)CCc1ccccc1C(=O)[O-])C1CCC(F)(F)CC1 ZINC001593020128 980278469 /nfs/dbraw/zinc/27/84/69/980278469.db2.gz VJTMWQLIKIHJPH-LBPRGKRZSA-N -1 0 339.382 3.648 20 0 EHADRM CC[C@](NC(=O)c1cccc2cc(O)ccc21)(C(=O)[O-])c1ccccc1 ZINC001595270752 980286895 /nfs/dbraw/zinc/28/68/95/980286895.db2.gz PHEMAGDHIVBFCP-OAQYLSRUSA-N -1 0 349.386 3.665 20 0 EHADRM CC[C@](NC(=O)c1ccccc1C(F)F)(C(=O)[O-])c1ccccc1 ZINC001595272432 980293282 /nfs/dbraw/zinc/29/32/82/980293282.db2.gz ZSMITLSUCVFFLI-GOSISDBHSA-N -1 0 333.334 3.744 20 0 EHADRM CCN(CC)C(=O)c1ccc(N[C@H](C)CC(C)(C)CC(=O)[O-])cc1 ZINC000901465706 980300288 /nfs/dbraw/zinc/30/02/88/980300288.db2.gz XZLROBZPLSYUOK-CQSZACIVSA-N -1 0 334.460 3.860 20 0 EHADRM O=C([O-])CCCCNC(=O)[C@@H]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000901486276 980311187 /nfs/dbraw/zinc/31/11/87/980311187.db2.gz ZNARVTZIYKXGCW-JKSUJKDBSA-N -1 0 337.847 3.985 20 0 EHADRM CO[C@@H](CNc1ccc(C(C)(C)C(=O)[O-])cc1)Cc1ccccc1 ZINC000901514604 980331887 /nfs/dbraw/zinc/33/18/87/980331887.db2.gz VPMHLIDBOYOGNT-GOSISDBHSA-N -1 0 327.424 3.718 20 0 EHADRM CCOc1cc(CNc2cc(COC)cc(C(=O)[O-])c2)ccc1OC ZINC000901739184 980472143 /nfs/dbraw/zinc/47/21/43/980472143.db2.gz KESQMTRLPTWRAT-UHFFFAOYSA-N -1 0 345.395 3.551 20 0 EHADRM CC[C@@H](Nc1cc(C(F)(F)F)c(C(=O)[O-])cn1)c1c(C)noc1C ZINC001595316564 980484221 /nfs/dbraw/zinc/48/42/21/980484221.db2.gz GOFLIRDVFYPPPK-LLVKDONJSA-N -1 0 343.305 3.967 20 0 EHADRM CC[C@H](OC(=O)c1ccc(C2SCCCS2)cc1)C(=O)[O-] ZINC001595349426 980654685 /nfs/dbraw/zinc/65/46/85/980654685.db2.gz YUVVSDGHLIYLQH-LBPRGKRZSA-N -1 0 326.439 3.575 20 0 EHADRM CC[C@@H](OC(=O)c1ccc(Oc2ccccc2)cn1)[C@@H](C)C(=O)[O-] ZINC001595351758 980660504 /nfs/dbraw/zinc/66/05/04/980660504.db2.gz LGSSXUSMTINBPW-MLGOLLRUSA-N -1 0 329.352 3.530 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001595354910 980696924 /nfs/dbraw/zinc/69/69/24/980696924.db2.gz HWHAGJDBMXGMHZ-DEYYWGMASA-N -1 0 345.439 3.648 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC001595356361 980711300 /nfs/dbraw/zinc/71/13/00/980711300.db2.gz CGXOGYBOZCVLFK-HNNXBMFYSA-N -1 0 331.343 3.628 20 0 EHADRM CC[C@@H](SC)C(=O)Nc1cc(-c2ccncc2)sc1C(=O)[O-] ZINC001595358417 980731757 /nfs/dbraw/zinc/73/17/57/980731757.db2.gz JWSZBNJMNNZBEM-LLVKDONJSA-N -1 0 336.438 3.588 20 0 EHADRM O=C([O-])CCC[C@@H]1CCC[C@@H](Nc2ccc3c(c2)CCC(=O)N3)C1 ZINC000902100368 980733621 /nfs/dbraw/zinc/73/36/21/980733621.db2.gz DBYNVOAAQAELRV-DZGCQCFKSA-N -1 0 330.428 3.797 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC001595358948 980737148 /nfs/dbraw/zinc/73/71/48/980737148.db2.gz VPXPFELEKCQSSH-OAHLLOKOSA-N -1 0 335.469 3.803 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccc(Cl)nc1C ZINC001595361355 980761455 /nfs/dbraw/zinc/76/14/55/980761455.db2.gz WOZMANHHOOLXJC-HNNXBMFYSA-N -1 0 346.814 3.722 20 0 EHADRM Cn1cc(/C=C\c2cc(C(=O)[O-])c3ccccc3n2)c(C(F)F)n1 ZINC000460870200 1032101145 /nfs/dbraw/zinc/10/11/45/1032101145.db2.gz JLIFJULTDNIEJN-SREVYHEPSA-N -1 0 329.306 3.775 20 0 EHADRM O=C([O-])/C=C\c1ccc(CN[C@H]2CCCOc3ccc(F)cc32)o1 ZINC000902176489 980769957 /nfs/dbraw/zinc/76/99/57/980769957.db2.gz KWVSSHQKIFDIDH-IOBAAEILSA-N -1 0 331.343 3.520 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])Cc1ncc(C)c(OC)c1C ZINC001595362935 980776730 /nfs/dbraw/zinc/77/67/30/980776730.db2.gz UCBWGHHHZICOKY-SFHVURJKSA-N -1 0 342.439 3.745 20 0 EHADRM COc1cc(CN(C)Cc2ccc(/C=C\C(=O)[O-])o2)ccc1SC ZINC000902200295 980779403 /nfs/dbraw/zinc/77/94/03/980779403.db2.gz MJPXTQRNFVOENU-CLFYSBASSA-N -1 0 347.436 3.740 20 0 EHADRM C[C@H](Nc1ccc(NC(=O)N2CCCCCC2)cc1)[C@H]1C[C@@H]1C(=O)[O-] ZINC000902200465 980780177 /nfs/dbraw/zinc/78/01/77/980780177.db2.gz BSDFFDPEIDNJIZ-XKQJLSEDSA-N -1 0 345.443 3.616 20 0 EHADRM CCCN(Cc1ccc(C(=O)[O-])cc1C(F)(F)F)CC(F)F ZINC000902203269 980781810 /nfs/dbraw/zinc/78/18/10/980781810.db2.gz AWCGSTXWJFJHCF-UHFFFAOYSA-N -1 0 325.277 3.881 20 0 EHADRM C[C@H](Nc1ccc(N2CCc3sccc3C2)cc1)[C@H]1C[C@@H]1C(=O)[O-] ZINC000902204709 980782793 /nfs/dbraw/zinc/78/27/93/980782793.db2.gz XBQDHDNBJABJKM-VUCTXSBTSA-N -1 0 342.464 3.832 20 0 EHADRM CC[C@@H](c1nnc(NCc2ccc(C(=O)[O-])o2)s1)c1ccccc1 ZINC001595363639 980785051 /nfs/dbraw/zinc/78/50/51/980785051.db2.gz GNLAOBZEALHHBZ-CYBMUJFWSA-N -1 0 343.408 3.983 20 0 EHADRM CC[C@@H](c1nnc(NCc2cc(C(=O)[O-])co2)s1)c1ccccc1 ZINC001595363840 980787744 /nfs/dbraw/zinc/78/77/44/980787744.db2.gz JYVKOZAGOYIHNS-CQSZACIVSA-N -1 0 343.408 3.983 20 0 EHADRM CC[C@H](c1ccccc1)N(CC)C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001595364449 980793508 /nfs/dbraw/zinc/79/35/08/980793508.db2.gz RYGNPNYYFJFGFX-QXPKXGMISA-N -1 0 327.380 3.991 20 0 EHADRM CC[C@H](c1ccncc1)N(C)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC001595364499 980794683 /nfs/dbraw/zinc/79/46/83/980794683.db2.gz WVHRNTBXXWXJTM-CXAGYDPISA-N -1 0 341.411 3.885 20 0 EHADRM CCC1(CC)[C@H](Nc2cc(C(=O)[O-])cc3cccnc32)C[C@H]1OC ZINC001595373281 980871606 /nfs/dbraw/zinc/87/16/06/980871606.db2.gz GSTXNQAMHFJNFS-HZPDHXFCSA-N -1 0 328.412 3.939 20 0 EHADRM CCC1(CC)[C@H](NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)[C@@H](C)[C@H]1OC ZINC001595374338 980883017 /nfs/dbraw/zinc/88/30/17/980883017.db2.gz XTMIOMRWJGBHCB-DAXOMENPSA-N -1 0 348.443 3.654 20 0 EHADRM CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001595374444 980883807 /nfs/dbraw/zinc/88/38/07/980883807.db2.gz YUZAEDYFCDZHJG-HZPDHXFCSA-N -1 0 348.443 3.751 20 0 EHADRM CCC1(CC)CN(Cc2snc(OC)c2C(=O)[O-])c2ccccc21 ZINC001595376196 980903250 /nfs/dbraw/zinc/90/32/50/980903250.db2.gz PSGBPGUWZDFJEY-UHFFFAOYSA-N -1 0 346.452 3.928 20 0 EHADRM CC[C@]1(CCc2ccccc2)CCCN1c1nccc(C(=O)[O-])n1 ZINC001595377045 980909987 /nfs/dbraw/zinc/90/99/87/980909987.db2.gz YJBBZIALQBVQKK-LJQANCHMSA-N -1 0 325.412 3.557 20 0 EHADRM CC[C@@]1(Cc2ccccc2)CCCN1C(=O)c1oc(C(=O)[O-])cc1C ZINC001595384293 980931077 /nfs/dbraw/zinc/93/10/77/980931077.db2.gz PQSWDLLQPNRIRU-FQEVSTJZSA-N -1 0 341.407 3.914 20 0 EHADRM Cc1ccc(N(CC2CC2)C(=O)c2cccc(OCC(=O)[O-])c2)cc1 ZINC000902729780 980942970 /nfs/dbraw/zinc/94/29/70/980942970.db2.gz NNLDAVJIMUWEOH-UHFFFAOYSA-N -1 0 339.391 3.515 20 0 EHADRM CCC1(c2ccccc2)CN(C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC001595397266 980963910 /nfs/dbraw/zinc/96/39/10/980963910.db2.gz IAADYNIEGHOHAE-UHFFFAOYSA-N -1 0 342.370 3.719 20 0 EHADRM CCC1(c2ccccc2)CN(C(=O)Nc2ccsc2C(=O)[O-])C1 ZINC001595397890 980967363 /nfs/dbraw/zinc/96/73/63/980967363.db2.gz XYMZCHDMWIGCTJ-UHFFFAOYSA-N -1 0 330.409 3.642 20 0 EHADRM CC[C@@H]1[C@@H](C)CCN1C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001595406041 980989774 /nfs/dbraw/zinc/98/97/74/980989774.db2.gz XCEVRUYEHYDIGX-SWLSCSKDSA-N -1 0 334.416 3.824 20 0 EHADRM CCC1CCC(NC(=O)CCSCc2ccccc2)(C(=O)[O-])CC1 ZINC001595421002 981040120 /nfs/dbraw/zinc/04/01/20/981040120.db2.gz VZRNHTYSXQFAIQ-UHFFFAOYSA-N -1 0 349.496 3.850 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NCc1c(Cl)nc(Cl)n1C ZINC000904007248 981080138 /nfs/dbraw/zinc/08/01/38/981080138.db2.gz BSFIEKMWQNSAAD-UHFFFAOYSA-N -1 0 328.199 3.654 20 0 EHADRM CC[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001595444227 981087192 /nfs/dbraw/zinc/08/71/92/981087192.db2.gz KZZJQYUMOVQCNU-ONGXEEELSA-N -1 0 325.796 3.524 20 0 EHADRM CC[C@H]1CCCC[C@@H]1OCC(=O)N1CCCc2ccc(C(=O)[O-])cc21 ZINC001595447003 981094637 /nfs/dbraw/zinc/09/46/37/981094637.db2.gz DRISXCGBBQHENM-KSSFIOAISA-N -1 0 345.439 3.649 20 0 EHADRM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001595449042 981101711 /nfs/dbraw/zinc/10/17/11/981101711.db2.gz YVSMCFPXXXZAMN-IUODEOHRSA-N -1 0 337.391 3.756 20 0 EHADRM CC(C)(C)Cc1ccccc1C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000907551586 981187715 /nfs/dbraw/zinc/18/77/15/981187715.db2.gz ZBGWXQBGYCVTKZ-MRXNPFEDSA-N -1 0 329.440 3.602 20 0 EHADRM CC[C@H]1CN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CCCO1 ZINC001595480557 981197861 /nfs/dbraw/zinc/19/78/61/981197861.db2.gz KBEFMVDOQDHVKS-KBPBESRZSA-N -1 0 332.227 3.620 20 0 EHADRM CC1=C(C)C[C@](C)(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)CC1 ZINC000907623774 981201611 /nfs/dbraw/zinc/20/16/11/981201611.db2.gz JPULDLLTYHBRPS-HXUWFJFHSA-N -1 0 327.424 3.796 20 0 EHADRM CC[C@H]1CN(Cc2ccc(O[C@H](C)C(=O)[O-])cc2)c2ccccc2O1 ZINC001595488451 981235652 /nfs/dbraw/zinc/23/56/52/981235652.db2.gz ODIVYRMGZMKAJG-ZBFHGGJFSA-N -1 0 341.407 3.716 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)[C@H]3C[C@H]3c3ccc4ccccc4c3)[C@@H]2C1 ZINC000907941611 981242626 /nfs/dbraw/zinc/24/26/26/981242626.db2.gz SLGSCYBVLFYFSF-NADOGSGZSA-N -1 0 349.430 3.559 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)c1cccc(CC(=O)[O-])c1)C(C)(C)C ZINC000908118857 981266225 /nfs/dbraw/zinc/26/62/25/981266225.db2.gz GFFSOPCNDKCMNR-SFHVURJKSA-N -1 0 340.423 3.534 20 0 EHADRM CCCCC[C@H](C)CC(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC000908164026 981274437 /nfs/dbraw/zinc/27/44/37/981274437.db2.gz DHAMPUTVIOYOJX-YOFIQYCBSA-N -1 0 341.517 3.838 20 0 EHADRM CC[C@@H]1c2ccccc2CN1C(=O)Nc1cnc(C)c(C(=O)[O-])c1 ZINC001595504316 981278558 /nfs/dbraw/zinc/27/85/58/981278558.db2.gz KTCPQWVQZPWBKY-MRXNPFEDSA-N -1 0 325.368 3.587 20 0 EHADRM CC[C@H]1c2ccccc2CCN1C(=O)c1ccccc1CCC(=O)[O-] ZINC001595504542 981278562 /nfs/dbraw/zinc/27/85/62/981278562.db2.gz LRWADMUDOUGQJF-IBGZPJMESA-N -1 0 337.419 3.853 20 0 EHADRM Cc1cccc2c(CC(=O)NCCCCC3(C(=O)[O-])CCC3)c[nH]c21 ZINC000908340085 981304382 /nfs/dbraw/zinc/30/43/82/981304382.db2.gz VSDKELAYKDXXOC-UHFFFAOYSA-N -1 0 342.439 3.560 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)[C@H]2CCCc3sccc32)CCC1 ZINC000908339036 981304604 /nfs/dbraw/zinc/30/46/04/981304604.db2.gz VHENDNITRCCKPG-AWEZNQCLSA-N -1 0 335.469 3.709 20 0 EHADRM CC/C=C/[C@H](OC(=O)c1sc2ncccc2c1Cl)C(=O)[O-] ZINC001595513580 981306136 /nfs/dbraw/zinc/30/61/36/981306136.db2.gz FACYIVXAPWFQLU-SWTNXBIASA-N -1 0 325.773 3.526 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)CCc2ccc3ccccc3c2)C1 ZINC000908367474 981308658 /nfs/dbraw/zinc/30/86/58/981308658.db2.gz TXAUNMKOSWFFMH-QAPCUYQASA-N -1 0 325.408 3.532 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)C2(c3ccc(F)cc3)CCCCC2)C1 ZINC000908366635 981308696 /nfs/dbraw/zinc/30/86/96/981308696.db2.gz GHQWZKKBNCWPJP-PBHICJAKSA-N -1 0 347.430 3.787 20 0 EHADRM COc1c(NC(=O)c2sc(C(C)(C)C)nc2C)cccc1C(=O)[O-] ZINC000908506865 981319840 /nfs/dbraw/zinc/31/98/40/981319840.db2.gz HWUMOUGBOYVJII-UHFFFAOYSA-N -1 0 348.424 3.708 20 0 EHADRM Cc1ccccc1-c1ccccc1C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000908660616 981336870 /nfs/dbraw/zinc/33/68/70/981336870.db2.gz OSCDFEYGOIFWSE-IBGZPJMESA-N -1 0 349.430 3.989 20 0 EHADRM Cc1ccccc1-c1ccccc1C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000908678327 981337748 /nfs/dbraw/zinc/33/77/48/981337748.db2.gz HQPZWUQVZOMTPM-UHFFFAOYSA-N -1 0 337.419 3.989 20 0 EHADRM CCCC(=CC(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-])CCC ZINC001595522937 981346229 /nfs/dbraw/zinc/34/62/29/981346229.db2.gz ZMWBLLHYIVBLIZ-MRXNPFEDSA-N -1 0 335.419 3.712 20 0 EHADRM CCN(C(=O)c1ccoc1CC(=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000908757275 981355007 /nfs/dbraw/zinc/35/50/07/981355007.db2.gz SLHPRGGEMOMEHY-GFCCVEGCSA-N -1 0 341.363 3.876 20 0 EHADRM Cc1ccccc1C(C)(C)CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000908761165 981356138 /nfs/dbraw/zinc/35/61/38/981356138.db2.gz WWMISLKWTYDKMF-UHFFFAOYSA-N -1 0 343.467 3.814 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000908765368 981356749 /nfs/dbraw/zinc/35/67/49/981356749.db2.gz GZTSKWBQFVHVIQ-AWEZNQCLSA-N -1 0 333.771 3.537 20 0 EHADRM Cc1ccccc1[C@H](CC(C)C)NC(=O)c1ccoc1CC(=O)[O-] ZINC000908797792 981364376 /nfs/dbraw/zinc/36/43/76/981364376.db2.gz FIFKZUSUHQDFBD-INIZCTEOSA-N -1 0 329.396 3.732 20 0 EHADRM CCC[C@H](C(=O)N1CCC[C@](C)(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001595532186 981370869 /nfs/dbraw/zinc/37/08/69/981370869.db2.gz GLXALOCTWPVPEJ-YJBOKZPZSA-N -1 0 337.847 3.937 20 0 EHADRM Cc1nc(CC(C)C)oc1C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000908943191 981390332 /nfs/dbraw/zinc/39/03/32/981390332.db2.gz HLBVZTSRPMGZRH-HNNXBMFYSA-N -1 0 344.411 3.517 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)Cc1cccc(C(F)F)c1)c1ccccc1 ZINC000908942545 981390419 /nfs/dbraw/zinc/39/04/19/981390419.db2.gz GIYPFAQSZPVTRU-INIZCTEOSA-N -1 0 347.361 3.889 20 0 EHADRM CCC[C@](C)(NC(=O)NCc1cc(C(=O)[O-])c(C)o1)c1ccccc1 ZINC001595546603 981412426 /nfs/dbraw/zinc/41/24/26/981412426.db2.gz HFJCBGNGINDJHS-IBGZPJMESA-N -1 0 344.411 3.801 20 0 EHADRM CCC[C@](C)(NC(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1)c1ccccc1 ZINC001595547057 981416928 /nfs/dbraw/zinc/41/69/28/981416928.db2.gz NNXJAUIFQOFLFM-ALKREAHSSA-N -1 0 332.444 3.645 20 0 EHADRM CCC[C@@](C)(NC(=O)c1cc2c(s1)-c1ccccc1CC2)C(=O)[O-] ZINC001595554121 981434723 /nfs/dbraw/zinc/43/47/23/981434723.db2.gz ZZYSCYADTFAWMG-LJQANCHMSA-N -1 0 343.448 3.887 20 0 EHADRM CC(C)c1nocc1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000909224125 981435508 /nfs/dbraw/zinc/43/55/08/981435508.db2.gz DPXBRYKJECXTKE-UHFFFAOYSA-N -1 0 348.424 3.758 20 0 EHADRM CCc1cncc(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)c1 ZINC000909224759 981436452 /nfs/dbraw/zinc/43/64/52/981436452.db2.gz SBXVPAKPCNVUSB-UHFFFAOYSA-N -1 0 344.436 3.604 20 0 EHADRM Cc1noc(C)c1C(C)(C)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000909287592 981459719 /nfs/dbraw/zinc/45/97/19/981459719.db2.gz GOBQEMGLYPVOLO-UHFFFAOYSA-N -1 0 344.411 3.570 20 0 EHADRM CCC[C@@H](C)[C@H]1CCCN1C(=O)Nc1cccc(C(=O)[O-])c1OC ZINC001595571843 981481164 /nfs/dbraw/zinc/48/11/64/981481164.db2.gz LUDGJOMEUYHVBT-IUODEOHRSA-N -1 0 334.416 3.826 20 0 EHADRM CC(C)Oc1ccccc1CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000909399590 981484022 /nfs/dbraw/zinc/48/40/22/981484022.db2.gz CXMXUFPXQXLOHK-UHFFFAOYSA-N -1 0 345.439 3.515 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ccoc1CC(=O)[O-] ZINC000909412755 981487583 /nfs/dbraw/zinc/48/75/83/981487583.db2.gz KNVBLBLZYSKMSI-NEPJUHHUSA-N -1 0 349.814 3.824 20 0 EHADRM CC(C)(C)OC1CC(CC(=O)NCC2(CC(=O)[O-])CCCCC2)C1 ZINC000909464145 981500868 /nfs/dbraw/zinc/50/08/68/981500868.db2.gz HAOCGARMVYDJLI-UHFFFAOYSA-N -1 0 339.476 3.512 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)CCCCc2ccccc2)C1 ZINC000909485489 981506487 /nfs/dbraw/zinc/50/64/87/981506487.db2.gz AWCIZSBQDADLOK-QGZVFWFLSA-N -1 0 331.456 3.749 20 0 EHADRM CCSCc1ccccc1C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000909492936 981509501 /nfs/dbraw/zinc/50/95/01/981509501.db2.gz XKGOHTRGTKHZLJ-OAHLLOKOSA-N -1 0 349.496 3.903 20 0 EHADRM CCC[C@@H](CC(C)C)C(=O)N1c2c(cccc2C(=O)[O-])NC(=O)[C@@H]1C ZINC001595580112 981514115 /nfs/dbraw/zinc/51/41/15/981514115.db2.gz ZFGATSZOACVNSO-STQMWFEESA-N -1 0 346.427 3.521 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C[C@H]1CCO[C@H](C(C)C)C1 ZINC000909513053 981520734 /nfs/dbraw/zinc/52/07/34/981520734.db2.gz NHNHMKYUKSFOIT-YOEHRIQHSA-N -1 0 333.428 3.781 20 0 EHADRM CCSc1ccc(CC(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000909577428 981546725 /nfs/dbraw/zinc/54/67/25/981546725.db2.gz IZJUMQZVSUASSK-MRXNPFEDSA-N -1 0 341.432 3.556 20 0 EHADRM CCC(CC)(NC(=O)c1ccc([C@H](C)C(F)(F)F)cc1)C(=O)[O-] ZINC000909615026 981551604 /nfs/dbraw/zinc/55/16/04/981551604.db2.gz FFTBHVYYUYDWGF-JTQLQIEISA-N -1 0 331.334 3.726 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000909725726 981580758 /nfs/dbraw/zinc/58/07/58/981580758.db2.gz QIMOEUNTHOLAGB-BZUAXINKSA-N -1 0 339.391 3.695 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)CCCSC(C)(C)C ZINC000909733391 981586024 /nfs/dbraw/zinc/58/60/24/981586024.db2.gz QDVRNDQCQMHQBZ-UHFFFAOYSA-N -1 0 325.430 3.644 20 0 EHADRM Cc1nc(-c2ccccc2C)sc1C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000909739080 981587399 /nfs/dbraw/zinc/58/73/99/981587399.db2.gz ZHUFXSHOFVRDHT-ZDUSSCGKSA-N -1 0 344.436 3.506 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC001594743353 981622415 /nfs/dbraw/zinc/62/24/15/981622415.db2.gz ORZQBAUSADFUJY-ZIAGYGMSSA-N -1 0 343.345 3.870 20 0 EHADRM CC(C)[C@H](C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1)c1cccnc1 ZINC000909834991 981653243 /nfs/dbraw/zinc/65/32/43/981653243.db2.gz PTUODWFRGOVVCX-GUYCJALGSA-N -1 0 326.396 3.648 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@H](C)OCc2ccc(F)cc2)cc1 ZINC000909835180 981653282 /nfs/dbraw/zinc/65/32/82/981653282.db2.gz DYXSRTMTCPVGRB-OLZOCXBDSA-N -1 0 345.370 3.558 20 0 EHADRM CC(C)[C@H](C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1)c1cccnc1 ZINC000909835173 981653357 /nfs/dbraw/zinc/65/33/57/981653357.db2.gz DYGUWXZRHJJXMR-DYVFJYSZSA-N -1 0 326.396 3.648 20 0 EHADRM C[C@H](C(=O)N1CCC[C@@](C)(C(=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC000909839604 981660271 /nfs/dbraw/zinc/66/02/71/981660271.db2.gz IKBNWRLIEXQZAJ-MEDUHNTESA-N -1 0 343.345 3.522 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC001594757772 981681346 /nfs/dbraw/zinc/68/13/46/981681346.db2.gz OFSAPHUNLIGCIQ-RQJHMYQMSA-N -1 0 338.618 3.935 20 0 EHADRM CCC[C@@H]1[C@@H](C)CCCN1C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001595620038 981685400 /nfs/dbraw/zinc/68/54/00/981685400.db2.gz VFCSKMXYPGIBOA-XHDPSFHLSA-N -1 0 344.415 3.694 20 0 EHADRM C[C@H](C(=O)NC[C@@H](CC1CC1)C(=O)[O-])c1ccc2ccccc2c1 ZINC000909881731 981696126 /nfs/dbraw/zinc/69/61/26/981696126.db2.gz QLHXBTPBIWVNNE-SCLBCKFNSA-N -1 0 325.408 3.560 20 0 EHADRM Cc1oc2ccccc2c1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000909955613 981710549 /nfs/dbraw/zinc/71/05/49/981710549.db2.gz ANAXGGMUXUCGLO-DZKIICNBSA-N -1 0 341.407 3.847 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@@H]1C[C@H]1c1ccsc1)c1ccccc1 ZINC001594767872 981726779 /nfs/dbraw/zinc/72/67/79/981726779.db2.gz JXLJPGXPKSNEJC-ARFHVFGLSA-N -1 0 329.421 3.748 20 0 EHADRM CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1ccoc1CC(=O)[O-] ZINC000910026213 981737758 /nfs/dbraw/zinc/73/77/58/981737758.db2.gz AIWNQQZZZHKYDI-IFXJQAMLSA-N -1 0 341.407 3.596 20 0 EHADRM O=C([O-])c1ccc(OCc2ccccc2)c(NC(=O)C23CC(C2)C3)c1 ZINC000910087628 981755426 /nfs/dbraw/zinc/75/54/26/981755426.db2.gz KYVUQNZJSHQSMQ-UHFFFAOYSA-N -1 0 337.375 3.702 20 0 EHADRM CCCC[C@H](C(=O)N[C@@H](C)[C@H](Cc1ccccc1)C(=O)[O-])C(C)C ZINC001595627485 981773059 /nfs/dbraw/zinc/77/30/59/981773059.db2.gz HPCCJJQHFBFJEV-SZMVWBNQSA-N -1 0 333.472 3.897 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)C(F)(F)c1ccccc1C ZINC001594779542 981781071 /nfs/dbraw/zinc/78/10/71/981781071.db2.gz AQFUVKPECIWODD-QGZVFWFLSA-N -1 0 339.382 3.579 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)Cc1cccc2ccccc21 ZINC001594779585 981781948 /nfs/dbraw/zinc/78/19/48/981781948.db2.gz BFAYMVKSZMENGK-OAQYLSRUSA-N -1 0 339.435 3.874 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)CC/C=C/c1ccccc1 ZINC001594780706 981785127 /nfs/dbraw/zinc/78/51/27/981785127.db2.gz HMVGVCANXJMWOL-WUTDNEBXSA-N -1 0 329.440 3.972 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@@H](F)CC1CCCCC1 ZINC001594781644 981788284 /nfs/dbraw/zinc/78/82/84/981788284.db2.gz LHNLMTAFSFAILE-YJBOKZPZSA-N -1 0 327.440 3.787 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)C[C@H](C)c1ccc(F)cc1 ZINC001594782546 981791238 /nfs/dbraw/zinc/79/12/38/981791238.db2.gz RMIUUQVCCVDDJX-ORAYPTAESA-N -1 0 335.419 3.811 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)Cc1c(C)cc(C)cc1C ZINC001594782813 981792183 /nfs/dbraw/zinc/79/21/83/981792183.db2.gz SYMQKWJUKFLNLH-HXUWFJFHSA-N -1 0 331.456 3.646 20 0 EHADRM CCCC[C@H](CC)C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC001595632028 981848202 /nfs/dbraw/zinc/84/82/02/981848202.db2.gz PBRLZNDMKFCXQJ-JTQLQIEISA-N -1 0 335.429 3.991 20 0 EHADRM CC(C)[C@@H](C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)c1cccnc1 ZINC000910298654 981853469 /nfs/dbraw/zinc/85/34/69/981853469.db2.gz NLVUFFWBEOZNIY-RCCFBDPRSA-N -1 0 338.407 3.648 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)C2(C(F)(F)F)CCC2)cc1 ZINC000910301792 981860111 /nfs/dbraw/zinc/86/01/11/981860111.db2.gz YDPWBPBAWWQHQH-NWDGAFQWSA-N -1 0 327.302 3.546 20 0 EHADRM CCCC[C@H](CCC)CNC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001595633022 981864424 /nfs/dbraw/zinc/86/44/24/981864424.db2.gz ZRQYIZFAGZIRHF-KNBMTAEXSA-N -1 0 331.456 3.968 20 0 EHADRM Cc1c2cccc(Cl)c2[nH]c1C(=O)N[C@@](C)(CC(=O)[O-])C1CC1 ZINC000910318445 981872897 /nfs/dbraw/zinc/87/28/97/981872897.db2.gz LXIDJDCQIYXTBL-KRWDZBQOSA-N -1 0 334.803 3.503 20 0 EHADRM CCC(C)(C)CCNC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001594800789 981889676 /nfs/dbraw/zinc/88/96/76/981889676.db2.gz KBJHSMMOQCGOJE-MRXNPFEDSA-N -1 0 346.471 3.930 20 0 EHADRM Cc1ccc(CCC(=O)N[C@H](CC(=O)[O-])c2cccc(C)c2)s1 ZINC000910367459 981897017 /nfs/dbraw/zinc/89/70/17/981897017.db2.gz HZFRGSFIQHNZHR-MRXNPFEDSA-N -1 0 331.437 3.630 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)CC2CC(OC(C)(C)C)C2)c1 ZINC000910368189 981898675 /nfs/dbraw/zinc/89/86/75/981898675.db2.gz CTOGAKXYURKJCA-PREGVCBESA-N -1 0 347.455 3.611 20 0 EHADRM C[C@@H](CN(C)C(=O)c1[nH]c2ccccc2c1CC(=O)[O-])C(C)(C)C ZINC000910384334 981908921 /nfs/dbraw/zinc/90/89/21/981908921.db2.gz HGPYGUDRJYSZBT-LBPRGKRZSA-N -1 0 330.428 3.549 20 0 EHADRM CCCC[C@@H](NC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1)C(=O)[O-] ZINC001595636627 981920010 /nfs/dbraw/zinc/92/00/10/981920010.db2.gz GOATUMJTORPGLU-ZWNOBZJWSA-N -1 0 331.334 3.726 20 0 EHADRM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)Nc2c[nH]nc2C(=O)[O-])CC1 ZINC001594808929 981923387 /nfs/dbraw/zinc/92/33/87/981923387.db2.gz RSESVUUUWMXYHX-BJCXPLBRSA-N -1 0 333.432 3.679 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(Oc2ccccc2)ccc1O ZINC001594822419 981975031 /nfs/dbraw/zinc/97/50/31/981975031.db2.gz WYOPKWPXPSBRMO-IBGZPJMESA-N -1 0 343.379 3.558 20 0 EHADRM CCCC[C@@H](S[C@H](C)C(=O)NCc1ccccc1Cl)C(=O)[O-] ZINC001595650986 982015676 /nfs/dbraw/zinc/01/56/76/982015676.db2.gz ARTHNBSUMFHHJI-BXUZGUMPSA-N -1 0 343.876 3.721 20 0 EHADRM CCCC[C@@H](S[C@@H](C)C(=O)Nc1ccccc1C(C)=O)C(=O)[O-] ZINC001595651696 982025171 /nfs/dbraw/zinc/02/51/71/982025171.db2.gz JQARBWQWRHPAKX-SWLSCSKDSA-N -1 0 337.441 3.593 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1)C1CC1 ZINC000910620596 982026192 /nfs/dbraw/zinc/02/61/92/982026192.db2.gz PQKRFGXOSHJIOY-LLVKDONJSA-N -1 0 326.352 3.557 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)CCc1ccc(C)s1 ZINC000910621286 982028595 /nfs/dbraw/zinc/02/85/95/982028595.db2.gz IWZBUZCMEPNWCO-UHFFFAOYSA-N -1 0 333.409 3.725 20 0 EHADRM CCCC[C@@H](S[C@H](C)C(=O)Nc1ccccc1OCC)C(=O)[O-] ZINC001595651959 982028822 /nfs/dbraw/zinc/02/88/22/982028822.db2.gz MZUFVVYGEQFEPG-IUODEOHRSA-N -1 0 339.457 3.789 20 0 EHADRM CC(C)Cn1ncc(NC(=O)c2ccc(C(=O)[O-])cc2F)c1C(C)C ZINC000910648978 982041077 /nfs/dbraw/zinc/04/10/77/982041077.db2.gz ATSCDEXNOJAARC-UHFFFAOYSA-N -1 0 347.390 3.752 20 0 EHADRM CCc1c(NC(=O)c2cc(C(=O)[O-])oc2C)cnn1C(CC)CC ZINC000910656985 982044266 /nfs/dbraw/zinc/04/42/66/982044266.db2.gz TVNOOTICZZNCTF-UHFFFAOYSA-N -1 0 333.388 3.659 20 0 EHADRM CCCC[C@H](SCC(=O)N1CCC[C@@H]2CCCC[C@H]21)C(=O)[O-] ZINC001595656185 982051234 /nfs/dbraw/zinc/05/12/34/982051234.db2.gz VMQGFHLSIZZKIH-ZNMIVQPWSA-N -1 0 327.490 3.544 20 0 EHADRM CCCC[C@@H](SCCC1CN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001595656520 982053338 /nfs/dbraw/zinc/05/33/38/982053338.db2.gz ZJIJMFNNTDTYBB-CYBMUJFWSA-N -1 0 331.478 3.620 20 0 EHADRM CC[C@@](C)(NC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)[O-] ZINC001594841884 982059387 /nfs/dbraw/zinc/05/93/87/982059387.db2.gz IBZTUYZZCKPUFP-HXUWFJFHSA-N -1 0 349.471 3.970 20 0 EHADRM CC(C)c1sc(NC(=O)c2cc(Cl)c(Cl)[nH]2)nc1C(=O)[O-] ZINC000910697766 982069072 /nfs/dbraw/zinc/06/90/72/982069072.db2.gz YQBIGDIBVYRKCN-UHFFFAOYSA-N -1 0 348.211 3.852 20 0 EHADRM CCCC[C@@H]1CCC[C@H]1NC(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC001595660665 982072631 /nfs/dbraw/zinc/07/26/31/982072631.db2.gz LQWHLDPUVNUMFK-RDTXWAMCSA-N -1 0 344.455 3.811 20 0 EHADRM C/C(=C\C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1)c1ccco1 ZINC000910717601 982079971 /nfs/dbraw/zinc/07/99/71/982079971.db2.gz DMBDWCYUZNKTJJ-BZYZDCJZSA-N -1 0 346.408 3.510 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)[C@@H]2CCCC2(C)C)nc1C(=O)[O-] ZINC000910721401 982083765 /nfs/dbraw/zinc/08/37/65/982083765.db2.gz KJNCMBBJTJEDCH-NWDGAFQWSA-N -1 0 336.457 3.640 20 0 EHADRM CC(C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1)=C1CCCC1 ZINC000910721900 982085368 /nfs/dbraw/zinc/08/53/68/982085368.db2.gz NYYVUYJNYNOASQ-CYBMUJFWSA-N -1 0 334.441 3.704 20 0 EHADRM C[C@@H](CC(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)c1ccccc1F ZINC000910734423 982096910 /nfs/dbraw/zinc/09/69/10/982096910.db2.gz VGXHGKSPAHXYKF-VIFPVBQESA-N -1 0 348.399 3.990 20 0 EHADRM C[C@H](C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)c1ccccc1F ZINC000910734830 982098271 /nfs/dbraw/zinc/09/82/71/982098271.db2.gz YEKPTSXODABTCM-QMMMGPOBSA-N -1 0 334.372 3.600 20 0 EHADRM CCCCC[C@H](NC(=O)CCc1ccc(F)c2c1CCCC2)C(=O)[O-] ZINC001595672075 982129562 /nfs/dbraw/zinc/12/95/62/982129562.db2.gz KOKGCYFOMFXMSZ-SFHVURJKSA-N -1 0 349.446 3.787 20 0 EHADRM CCCCC[C@@H](NC(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1)C(C)(C)C ZINC001595672281 982132242 /nfs/dbraw/zinc/13/22/42/982132242.db2.gz IHUWMUDBOSQXDJ-IYOUNJFTSA-N -1 0 326.481 3.734 20 0 EHADRM CCCCC[C@H](NC(=O)CCc1ccc2ccccc2c1)C(=O)[O-] ZINC001595672502 982134392 /nfs/dbraw/zinc/13/43/92/982134392.db2.gz QBSUTQDVRQFCIE-SFHVURJKSA-N -1 0 327.424 3.922 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)CCCc1csc(C)n1 ZINC000910964205 982179960 /nfs/dbraw/zinc/17/99/60/982179960.db2.gz FLPIAEMQJRHELG-UHFFFAOYSA-N -1 0 332.425 3.674 20 0 EHADRM CCCCC[C@@H]1CCCCN1C(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC001595690528 982197501 /nfs/dbraw/zinc/19/75/01/982197501.db2.gz RMXMQHBHNOEZSP-CQSZACIVSA-N -1 0 336.432 3.931 20 0 EHADRM CCCCC[C@H]1CCCCN1C(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC001595690527 982197722 /nfs/dbraw/zinc/19/77/22/982197722.db2.gz RMXMQHBHNOEZSP-AWEZNQCLSA-N -1 0 336.432 3.931 20 0 EHADRM CCCCCC[C@H](C)NC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC001595697278 982239696 /nfs/dbraw/zinc/23/96/96/982239696.db2.gz JRTXYHIYEHVLEV-HNNXBMFYSA-N -1 0 335.444 3.856 20 0 EHADRM CCCCCC[C@@H](C)CC(=O)N1CCc2ccc(C(=O)[O-])nc2C1 ZINC001595698235 982249962 /nfs/dbraw/zinc/24/99/62/982249962.db2.gz POYFCUHDNYTYIN-CQSZACIVSA-N -1 0 332.444 3.661 20 0 EHADRM CCCCCC[C@@H](C)NC(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001595698668 982252931 /nfs/dbraw/zinc/25/29/31/982252931.db2.gz UBYANNUOUNYVOG-UZLBHIALSA-N -1 0 346.471 3.783 20 0 EHADRM CCCCCC[C@H](CC)C(=O)N1CCc2ccc(C(=O)[O-])nc2C1 ZINC001595699180 982256231 /nfs/dbraw/zinc/25/62/31/982256231.db2.gz XPELBHCTMGBMQE-AWEZNQCLSA-N -1 0 332.444 3.661 20 0 EHADRM O=C([O-])C12CCC(C(=O)Nc3ccc4ncsc4c3)(CC1)CC2 ZINC000911153517 982262123 /nfs/dbraw/zinc/26/21/23/982262123.db2.gz FWCJROZBDVYDBJ-UHFFFAOYSA-N -1 0 330.409 3.660 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)CC(C)(C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001594884403 982263278 /nfs/dbraw/zinc/26/32/78/982263278.db2.gz SMOUXPFQDRGHEH-BLLLJJGKSA-N -1 0 339.863 3.914 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)CCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC001594887174 982269651 /nfs/dbraw/zinc/26/96/51/982269651.db2.gz JNZUPMFBKONELD-YMTOWFKASA-N -1 0 332.227 3.542 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)CCOc1cc(C)ccc1C(C)C)C(=O)[O-] ZINC001594887750 982275214 /nfs/dbraw/zinc/27/52/14/982275214.db2.gz UJHKCHWTHFFWIP-KBXCAEBGSA-N -1 0 335.444 3.503 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)CCCOc1cccc2ccccc21)C(=O)[O-] ZINC001594887773 982275556 /nfs/dbraw/zinc/27/55/56/982275556.db2.gz URJXAGAYAAIIKJ-IFXJQAMLSA-N -1 0 343.423 3.614 20 0 EHADRM CC1(C)Oc2ccc(NC(=O)C34CCC(C(=O)[O-])(CC3)CC4)cc2O1 ZINC000911202547 982282577 /nfs/dbraw/zinc/28/25/77/982282577.db2.gz WWIMGMCEALJDSE-UHFFFAOYSA-N -1 0 345.395 3.558 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)Nc1ccc(N[C@H](C)c2ccccc2)cc1 ZINC000911248275 982312223 /nfs/dbraw/zinc/31/22/23/982312223.db2.gz PUMVZGQCLRLUPM-DYVFJYSZSA-N -1 0 326.396 3.909 20 0 EHADRM CCCCN(C(=O)c1ccc(C)c(C(=O)[O-])c1)[C@@H]1CCCC[C@H]1OC ZINC001595735635 982379366 /nfs/dbraw/zinc/37/93/66/982379366.db2.gz LFDSUNWGECTXJP-QZTJIDSGSA-N -1 0 347.455 3.893 20 0 EHADRM CCCCN(C(=O)c1cccc(OCC(=O)[O-])c1)[C@H]1CCC[C@H](C)C1 ZINC001595736178 982382968 /nfs/dbraw/zinc/38/29/68/982382968.db2.gz XSJIYYOXWKVIIO-RDJZCZTQSA-N -1 0 347.455 3.971 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2cc(Cl)ccc2OC(F)F)C1 ZINC000911371842 982389394 /nfs/dbraw/zinc/38/93/94/982389394.db2.gz QCRKVOMVJZTQGU-IUCAKERBSA-N -1 0 347.745 3.771 20 0 EHADRM O=C([O-])CC1(CC(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)CCCC1 ZINC000911391116 982414790 /nfs/dbraw/zinc/41/47/90/982414790.db2.gz UZKBEELVKALSQL-OLZOCXBDSA-N -1 0 349.393 3.897 20 0 EHADRM CCCCN(Cc1ccccc1Cl)C(=O)c1cncc(C(=O)[O-])c1 ZINC001595748065 982417734 /nfs/dbraw/zinc/41/77/34/982417734.db2.gz RGRIRJGINCAELY-UHFFFAOYSA-N -1 0 346.814 3.876 20 0 EHADRM CCCCN(Cc1c(C)oc(C)c1C)C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001595749287 982422807 /nfs/dbraw/zinc/42/28/07/982422807.db2.gz VZKIZHLYQALZKT-INIZCTEOSA-N -1 0 348.443 3.690 20 0 EHADRM O=C([O-])CC1(CC(=O)N2CCC[C@@H](Nc3ccccc3)C2)CCCC1 ZINC000911458586 982440949 /nfs/dbraw/zinc/44/09/49/982440949.db2.gz NSTXDAHYIXILQD-QGZVFWFLSA-N -1 0 344.455 3.515 20 0 EHADRM CCCCNC(=O)CCSCc1cccc(C(=O)[O-])c1Cl ZINC001595754925 982445754 /nfs/dbraw/zinc/44/57/54/982445754.db2.gz WEJNLSYZSWDJBL-UHFFFAOYSA-N -1 0 329.849 3.578 20 0 EHADRM CC[C@H](C)[C@H](Sc1nnc(COc2ccc(C)cc2)o1)C(=O)[O-] ZINC001594928659 982540834 /nfs/dbraw/zinc/54/08/34/982540834.db2.gz LMZIKMBKVVVVJM-FZMZJTMJSA-N -1 0 336.413 3.548 20 0 EHADRM CCCCOc1ccc(NC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])c(C)c1 ZINC001595780821 982554503 /nfs/dbraw/zinc/55/45/03/982554503.db2.gz OZUONKILAYTKMK-WMLDXEAASA-N -1 0 348.443 3.939 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CC=C(c3cccc4ccccc43)C2)C1 ZINC000911650959 982584489 /nfs/dbraw/zinc/58/44/89/982584489.db2.gz IHTXNRXIICTLJP-SJORKVTESA-N -1 0 349.430 3.956 20 0 EHADRM CCCCS[C@@H](C)C(=O)Nc1nc(C(C)C)c(C(=O)[O-])s1 ZINC001595789078 982587708 /nfs/dbraw/zinc/58/77/08/982587708.db2.gz MMMMVSVKOILCID-VIFPVBQESA-N -1 0 330.475 3.825 20 0 EHADRM CCCCc1cc(N[C@H](C)[C@H](Cc2ccccc2)C(=O)[O-])ncn1 ZINC001595791929 982591979 /nfs/dbraw/zinc/59/19/79/982591979.db2.gz MHNGWOCHAMJYAL-PBHICJAKSA-N -1 0 327.428 3.563 20 0 EHADRM CC(C)[C@@H](CC(F)(F)F)NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000911668430 982594865 /nfs/dbraw/zinc/59/48/65/982594865.db2.gz RRCXDAFPSMYCGA-LLVKDONJSA-N -1 0 337.725 3.745 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCc2ccc(-c3ccccc3)cc2C1 ZINC000911720253 982612944 /nfs/dbraw/zinc/61/29/44/982612944.db2.gz ZHTPDLRYWHWRJP-UHFFFAOYSA-N -1 0 337.419 3.883 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)C1 ZINC000911743575 982625839 /nfs/dbraw/zinc/62/58/39/982625839.db2.gz RXVURRAVRJYOSL-IEWDOMPSSA-N -1 0 341.451 3.815 20 0 EHADRM CCCCn1ncc(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)c1CC ZINC001595807422 982634494 /nfs/dbraw/zinc/63/44/94/982634494.db2.gz MBDAHFUXYKXVQI-UHFFFAOYSA-N -1 0 329.400 3.505 20 0 EHADRM CCCN(C(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1)[C@H](C)C(=O)[O-] ZINC001595813185 982653329 /nfs/dbraw/zinc/65/33/29/982653329.db2.gz HOSAFTXXEOYNAQ-WDEREUQCSA-N -1 0 331.334 3.521 20 0 EHADRM COc1cc2ccccc2cc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000914728987 982654624 /nfs/dbraw/zinc/65/46/24/982654624.db2.gz YLIQQAKCBXDLGZ-UHFFFAOYSA-N -1 0 339.322 3.938 20 0 EHADRM CCCN(C(=O)[C@H](C)Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)[O-] ZINC001595814205 982658564 /nfs/dbraw/zinc/65/85/64/982658564.db2.gz PODHLVLVYRYTLU-MNOVXSKESA-N -1 0 346.254 3.884 20 0 EHADRM CC[C@@H](C)C[C@H](Nc1nc2cc(Br)ccc2o1)C(=O)[O-] ZINC001594952888 982674378 /nfs/dbraw/zinc/67/43/78/982674378.db2.gz OBNHYZIUTKLETI-KCJUWKMLSA-N -1 0 341.205 3.892 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)Cc1cccc(OC(C)C)c1 ZINC000923090089 982716268 /nfs/dbraw/zinc/71/62/68/982716268.db2.gz KFMYOHXUSGGTFZ-UHFFFAOYSA-N -1 0 333.409 3.723 20 0 EHADRM Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1cc(C(=O)[O-])sc1C ZINC000923090798 982716361 /nfs/dbraw/zinc/71/63/61/982716361.db2.gz FMVLLOSLORIPOR-UHFFFAOYSA-N -1 0 335.429 3.575 20 0 EHADRM CCCN(C(=O)c1cccc(N[C@H](C)C(C)C)c1C)[C@@H](C)C(=O)[O-] ZINC001595830287 982716836 /nfs/dbraw/zinc/71/68/36/982716836.db2.gz MMXPRAHSSJPKLJ-CABCVRRESA-N -1 0 334.460 3.777 20 0 EHADRM CCCN(C(=O)c1cccc(OCC(=O)[O-])c1)c1ccc(CC)cc1 ZINC001595830373 982717614 /nfs/dbraw/zinc/71/76/14/982717614.db2.gz PCWCJYCGAJFIEH-UHFFFAOYSA-N -1 0 341.407 3.769 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000923095027 982719641 /nfs/dbraw/zinc/71/96/41/982719641.db2.gz PHDSEUGDUAWEFF-ACJLOTCBSA-N -1 0 327.405 3.597 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC001594968729 982735841 /nfs/dbraw/zinc/73/58/41/982735841.db2.gz RSICOPOEXQMNGL-QWRGUYRKSA-N -1 0 331.334 3.521 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)N2CCc3sccc3C2)cc1 ZINC000108066997 1014878241 /nfs/dbraw/zinc/87/82/41/1014878241.db2.gz MZJNMRFPAQCMPG-HSZRJFAPSA-N -1 0 347.505 3.564 20 0 EHADRM CCCN(CC)c1ccc(C(=O)N(C)C2(C(=O)[O-])CCCCC2)cc1 ZINC001595868969 982843695 /nfs/dbraw/zinc/84/36/95/982843695.db2.gz IVTZILMZDSLQHZ-UHFFFAOYSA-N -1 0 346.471 3.782 20 0 EHADRM CCCN(CC)c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC001595869052 982845499 /nfs/dbraw/zinc/84/54/99/982845499.db2.gz MPNKQNLTQCZYBH-INIZCTEOSA-N -1 0 346.452 3.540 20 0 EHADRM CC[C@H](C)NC(=S)Nc1cc(-c2ccncc2)sc1C(=O)[O-] ZINC001594995404 982894731 /nfs/dbraw/zinc/89/47/31/982894731.db2.gz XOFFVNVVWBSOSD-VIFPVBQESA-N -1 0 335.454 3.593 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)NCC(CC)(CC)C(=O)[O-] ZINC001595003392 982915240 /nfs/dbraw/zinc/91/52/40/982915240.db2.gz DEZRHRQUQLLUSM-LHNRBYRGSA-N -1 0 347.455 3.884 20 0 EHADRM CCCN(Cc1ccc(C)cc1)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001595888164 982916874 /nfs/dbraw/zinc/91/68/74/982916874.db2.gz HVTNROZVPMYXHM-SJORKVTESA-N -1 0 332.444 3.560 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C/C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001595006396 982923420 /nfs/dbraw/zinc/92/34/20/982923420.db2.gz WXOBFRLVLDHVQE-XZHRJIJLSA-N -1 0 340.379 3.609 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)c1 ZINC001595007486 982925686 /nfs/dbraw/zinc/92/56/86/982925686.db2.gz CUEIDXCPNUXQJW-SNVBAGLBSA-N -1 0 330.384 3.759 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccc(SC(F)(F)F)cc2)n1 ZINC001116299965 982926585 /nfs/dbraw/zinc/92/65/85/982926585.db2.gz DHKOPDHYBAIKCI-UHFFFAOYSA-N -1 0 342.298 3.644 20 0 EHADRM CC[C@H](C)Oc1ccc(NC(=O)/C=C\c2cc(C(=O)[O-])co2)cc1 ZINC001595009355 982934450 /nfs/dbraw/zinc/93/44/50/982934450.db2.gz WDMWOMBUTJTQFD-LAUAKBEESA-N -1 0 329.352 3.807 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC001118541818 982958674 /nfs/dbraw/zinc/95/86/74/982958674.db2.gz LLRKGWSAGDJSHJ-QMMMGPOBSA-N -1 0 336.413 3.531 20 0 EHADRM CCCOc1ccc(C(C)(C)NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC001595955026 983143207 /nfs/dbraw/zinc/14/32/07/983143207.db2.gz WEDKNEXUAZPLSH-CABCVRRESA-N -1 0 347.455 3.718 20 0 EHADRM CCCSCC(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1 ZINC001595987114 983235337 /nfs/dbraw/zinc/23/53/37/983235337.db2.gz PHYNTBMPZUQARU-UHFFFAOYSA-N -1 0 328.459 3.581 20 0 EHADRM CCCSCC(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC001595987203 983237192 /nfs/dbraw/zinc/23/71/92/983237192.db2.gz VDJRDADOQSRXGG-UHFFFAOYSA-N -1 0 327.471 3.797 20 0 EHADRM CCC[C@@H]1C[C@H]1C(=O)Nc1ccc(Br)c(C(=O)[O-])c1C ZINC001596007204 983262141 /nfs/dbraw/zinc/26/21/41/983262141.db2.gz DZNMBYJKLWDVPE-NXEZZACHSA-N -1 0 340.217 3.830 20 0 EHADRM CCC[C@H](NC(=O)C1(Cc2cccc(OC)c2)CCCCC1)C(=O)[O-] ZINC001596015707 983277698 /nfs/dbraw/zinc/27/76/98/983277698.db2.gz XNLAYVJQTACSMF-KRWDZBQOSA-N -1 0 347.455 3.558 20 0 EHADRM CCC[C@H](NC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2)C(=O)[O-] ZINC001596020325 983283518 /nfs/dbraw/zinc/28/35/18/983283518.db2.gz XDJRVURCMSINEJ-OLZOCXBDSA-N -1 0 337.485 3.882 20 0 EHADRM CCCc1c(C(=O)NCCc2ccc(C)cc2C)[nH]c(C)c1C(=O)[O-] ZINC001596037834 983323484 /nfs/dbraw/zinc/32/34/84/983323484.db2.gz QJDAXWRNJBSZEY-UHFFFAOYSA-N -1 0 342.439 3.563 20 0 EHADRM CCCc1ccc(C(=O)N2CCc3c(cccc3C(=O)[O-])C2)s1 ZINC001596060628 983369485 /nfs/dbraw/zinc/36/94/85/983369485.db2.gz NNXPAPCKLIGCLR-UHFFFAOYSA-N -1 0 329.421 3.597 20 0 EHADRM CCCc1ccc(CCCC(=O)NCC2(C(=O)[O-])CCCC2)cc1 ZINC001596063154 983374516 /nfs/dbraw/zinc/37/45/16/983374516.db2.gz SVVYYTINLGQOQV-UHFFFAOYSA-N -1 0 331.456 3.723 20 0 EHADRM CCCc1ccccc1NC(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001596070392 983384201 /nfs/dbraw/zinc/38/42/01/983384201.db2.gz AHTWZSGDZCMCNU-MRXNPFEDSA-N -1 0 344.386 3.768 20 0 EHADRM CCCc1nc(C)c(C(=O)Oc2cc(Cl)ccc2C(=O)[O-])s1 ZINC001596082316 983400090 /nfs/dbraw/zinc/40/00/90/983400090.db2.gz SYQLYNXNSSHJLH-UHFFFAOYSA-N -1 0 339.800 3.975 20 0 EHADRM CCCn1c(C(=O)Nc2cccc(C(=O)[O-])c2N)cc2ccccc21 ZINC001596108213 983433257 /nfs/dbraw/zinc/43/32/57/983433257.db2.gz SROFHBHJKGGEGM-UHFFFAOYSA-N -1 0 337.379 3.584 20 0 EHADRM CCN(C(=O)[C@H](C)c1ccc(F)cc1F)c1ccccc1C(=O)[O-] ZINC001596130959 983477355 /nfs/dbraw/zinc/47/73/55/983477355.db2.gz FXXNMCKXPAIKKH-LLVKDONJSA-N -1 0 333.334 3.820 20 0 EHADRM CCN(C(=O)CCC[C@@H](C)c1cccc(OC)c1)C(C)(C)C(=O)[O-] ZINC001596137565 983487060 /nfs/dbraw/zinc/48/70/60/983487060.db2.gz NTBOYWBKXSDGRO-CQSZACIVSA-N -1 0 335.444 3.681 20 0 EHADRM CCN(C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C(C)(C)C(=O)[O-] ZINC001596138869 983489763 /nfs/dbraw/zinc/48/97/63/983489763.db2.gz XWHQXWUZYNYHQZ-NEPJUHHUSA-N -1 0 344.238 3.809 20 0 EHADRM CCN(C(=O)c1[nH]c2ccccc2c1Cl)c1ncc(C(=O)[O-])s1 ZINC001596161430 983525350 /nfs/dbraw/zinc/52/53/50/983525350.db2.gz WQRCRDDBPNGTRQ-UHFFFAOYSA-N -1 0 349.799 3.643 20 0 EHADRM CCN(C(=O)c1ccccc1CCC(=O)[O-])c1ccc(F)c(C)c1 ZINC001596170634 983535849 /nfs/dbraw/zinc/53/58/49/983535849.db2.gz KUBBUUYIFBQUDO-UHFFFAOYSA-N -1 0 329.371 3.818 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001596364862 983855485 /nfs/dbraw/zinc/85/54/85/983855485.db2.gz KUCPRRRQMMVWLP-UHFFFAOYSA-N -1 0 340.832 3.707 20 0 EHADRM CCN(Cc1ccccc1C)C(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001596371823 983873915 /nfs/dbraw/zinc/87/39/15/983873915.db2.gz OMSYLBFALKJTDP-GHTZIAJQSA-N -1 0 337.419 3.602 20 0 EHADRM CCN(Cc1cccs1)C(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001596375331 983884804 /nfs/dbraw/zinc/88/48/04/983884804.db2.gz VJPDWUNMIZCPAM-UHFFFAOYSA-N -1 0 334.397 3.509 20 0 EHADRM CCN1C(=O)N[C@H](c2cc(-c3ccccc3)cs2)C(C(=O)[O-])=C1C ZINC001596392209 983926123 /nfs/dbraw/zinc/92/61/23/983926123.db2.gz GKSRVQBQJWHVFL-MRXNPFEDSA-N -1 0 342.420 3.860 20 0 EHADRM CCOC(=O)[C@@H](NCc1ccc(C(=O)[O-])c(C)c1)C1CCCCCC1 ZINC001596542322 984385981 /nfs/dbraw/zinc/38/59/81/984385981.db2.gz IVSIBAXPUMIGDC-SFHVURJKSA-N -1 0 347.455 3.685 20 0 EHADRM CCOC(=O)[C@]12CCC[C@H]1C[C@@H](Nc1ccc(CCC(=O)[O-])cc1)C2 ZINC001596562950 984441703 /nfs/dbraw/zinc/44/17/03/984441703.db2.gz FYSIJIIVAUWMBH-VPWXQRGCSA-N -1 0 345.439 3.628 20 0 EHADRM CCOC(=O)C[C@H](C)SCc1ccc(C(=O)[O-])c2cccnc12 ZINC001596592322 984528499 /nfs/dbraw/zinc/52/84/99/984528499.db2.gz FULMNVNSSQCGJP-NSHDSACASA-N -1 0 333.409 3.508 20 0 EHADRM C=Cc1ccccc1NC(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-] ZINC001588921213 984578057 /nfs/dbraw/zinc/57/80/57/984578057.db2.gz BOHFCKHBWQPMKP-OAHLLOKOSA-N -1 0 342.370 3.534 20 0 EHADRM C/C(=C/C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1)c1ccccc1C ZINC001588932766 984610082 /nfs/dbraw/zinc/61/00/82/984610082.db2.gz JZBFUKNRSVGSOW-LCYFTJDESA-N -1 0 327.380 3.657 20 0 EHADRM C/C(=C/C(=O)N1CCCC[C@@H]1c1ccc(C(=O)[O-])n1C)C(C)(C)C ZINC001588937850 984619642 /nfs/dbraw/zinc/61/96/42/984619642.db2.gz VNBYGNVCIPWHQQ-WIDZWVOGSA-N -1 0 332.444 3.769 20 0 EHADRM C/C(=C\C(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1)c1cccs1 ZINC001588938506 984622543 /nfs/dbraw/zinc/62/25/43/984622543.db2.gz CDADTMAXHLXNDM-PXUDHTSWSA-N -1 0 333.384 3.541 20 0 EHADRM C[C@H](C(=O)Nc1cccc(SCCC(=O)[O-])c1)c1ccccc1 ZINC001599885442 984631197 /nfs/dbraw/zinc/63/11/97/984631197.db2.gz WQGKKBBLHKOESF-ZDUSSCGKSA-N -1 0 329.421 3.996 20 0 EHADRM C/C(=C\C(=O)Nc1cccc(C(=O)[O-])c1N)c1cccc(Cl)c1 ZINC001588943713 984640327 /nfs/dbraw/zinc/64/03/27/984640327.db2.gz AGXBZBDAQPRTHC-CSKARUKUSA-N -1 0 330.771 3.662 20 0 EHADRM C/C(=C/CN(C)Cc1cc(Br)ccc1Cl)C(=O)[O-] ZINC001588955855 984699485 /nfs/dbraw/zinc/69/94/85/984699485.db2.gz AYXYXNMUORKYBZ-UITAMQMPSA-N -1 0 332.625 3.565 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)C1CCCCCC1 ZINC001599894604 984737159 /nfs/dbraw/zinc/73/71/59/984737159.db2.gz QFMCHMDQNQVVGV-GOEBONIOSA-N -1 0 338.492 3.878 20 0 EHADRM C[C@H](NC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1)c1cccs1 ZINC001599894799 984740013 /nfs/dbraw/zinc/74/00/13/984740013.db2.gz BOUKTVAZMUFOAI-VIFPVBQESA-N -1 0 329.381 3.810 20 0 EHADRM C/C(=C/CN[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)C(=O)[O-] ZINC001588982138 984875499 /nfs/dbraw/zinc/87/54/99/984875499.db2.gz OULRTINWXLVSTK-MEQVVJDKSA-N -1 0 325.689 3.703 20 0 EHADRM C[C@@H]1C[C@H](Sc2nc(C(F)(F)F)ccc2C(=O)[O-])C[C@H](C)O1 ZINC001599905368 984915098 /nfs/dbraw/zinc/91/50/98/984915098.db2.gz HYZNPNYLMXYDSF-BRPSZJMVSA-N -1 0 335.347 3.847 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC001588995116 984921167 /nfs/dbraw/zinc/92/11/67/984921167.db2.gz DNXGNASTJLMAQM-XOVFHRFOSA-N -1 0 329.440 3.796 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC001588998067 984933168 /nfs/dbraw/zinc/93/31/68/984933168.db2.gz GZSTXXIEOMUNOY-CMDGGOBGSA-N -1 0 346.383 3.900 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)Nc1c(C)ccc(C(=O)[O-])c1O ZINC001588999517 984937439 /nfs/dbraw/zinc/93/74/39/984937439.db2.gz WNQOLFGJPWCAFC-JLHYYAGUSA-N -1 0 325.364 3.749 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)c2cc(Cl)nc3ccccc32)(C(=O)[O-])CC1 ZINC001599907209 984939463 /nfs/dbraw/zinc/93/94/63/984939463.db2.gz NLNQITUBNPQSEL-CKSWESSHSA-N -1 0 346.814 3.652 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)c2ccc(SC(F)F)cc2)(C(=O)[O-])CC1 ZINC001599907852 984946750 /nfs/dbraw/zinc/94/67/50/984946750.db2.gz RJIMNXQRCCZHMQ-HZRBXJLLSA-N -1 0 343.395 3.765 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)C(F)(F)c2ccc(Cl)cc2)(C(=O)[O-])CC1 ZINC001599908398 984953028 /nfs/dbraw/zinc/95/30/28/984953028.db2.gz YKPNUWCATMRCDZ-LGZQZNNBSA-N -1 0 345.773 3.582 20 0 EHADRM C/C(=C/c1ccncc1)C(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-] ZINC001589010312 984977221 /nfs/dbraw/zinc/97/72/21/984977221.db2.gz IMZZGZDDJFQGMM-HJWRWDBZSA-N -1 0 334.734 3.614 20 0 EHADRM CC(=O)[C@@H](C)CCCCC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001589022535 985017431 /nfs/dbraw/zinc/01/74/31/985017431.db2.gz CPSNNJPJHHEYPL-VIFPVBQESA-N -1 0 325.430 3.787 20 0 EHADRM CC(=O)CC1(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CCC1 ZINC001589030880 985066834 /nfs/dbraw/zinc/06/68/34/985066834.db2.gz SQDBRWVUVWXJOB-UHFFFAOYSA-N -1 0 331.393 3.687 20 0 EHADRM CC(=O)N(Cc1ccc(NC2CCC(CC(=O)[O-])CC2)cc1)C1CC1 ZINC001589051171 985135478 /nfs/dbraw/zinc/13/54/78/985135478.db2.gz DDXJPFJWKGARCT-UHFFFAOYSA-N -1 0 344.455 3.643 20 0 EHADRM CCO[C@@H](CC(=O)Nc1c(C)cc(Cl)cc1C(=O)[O-])C(C)C ZINC001596782510 985238842 /nfs/dbraw/zinc/23/88/42/985238842.db2.gz QMVCKOFYQHPNDX-ZDUSSCGKSA-N -1 0 327.808 3.736 20 0 EHADRM CCO[C@@H](c1noc(-c2ccc(/C=C/C(=O)[O-])o2)n1)C1CCCC1 ZINC001596790403 985265593 /nfs/dbraw/zinc/26/55/93/985265593.db2.gz MTEWMNAPGCOBON-TUPIDYKKSA-N -1 0 332.356 3.695 20 0 EHADRM CCO[C@H](c1noc(C23CCC(C(=O)[O-])(CC2)C3)n1)C1CCCC1 ZINC001596791912 985279584 /nfs/dbraw/zinc/27/95/84/985279584.db2.gz WTTJCXNIIFZIRN-TZYSRNFLSA-N -1 0 334.416 3.624 20 0 EHADRM CCO[C@H](CNC(=O)Nc1cc(C)cc(C(=O)[O-])c1)c1ccccc1 ZINC001596792230 985282200 /nfs/dbraw/zinc/28/22/00/985282200.db2.gz UYDCBWNTRUOPTQ-QGZVFWFLSA-N -1 0 342.395 3.593 20 0 EHADRM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(C)c(C(=O)[O-])c2)C1(CC)CC ZINC001596810662 985353098 /nfs/dbraw/zinc/35/30/98/985353098.db2.gz HBZASNLZXBWNDG-SJORKVTESA-N -1 0 347.455 3.749 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)C[C@H](C)S1 ZINC001594477070 985497372 /nfs/dbraw/zinc/49/73/72/985497372.db2.gz DOHWTOLYWFLKPD-OCAPTIKFSA-N -1 0 346.811 3.535 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)N2Cc3ccccc3[C@@H](C)C2)c(C)c1C(=O)[O-] ZINC001599946561 985538369 /nfs/dbraw/zinc/53/83/69/985538369.db2.gz VLPPVRFAETZIAL-FZMZJTMJSA-N -1 0 340.423 3.520 20 0 EHADRM CC(=O)Nc1ccc(C(=O)Nc2c(C)c(C(=O)[O-])ccc2Cl)cc1 ZINC001589186491 985573662 /nfs/dbraw/zinc/57/36/62/985573662.db2.gz SMYTYUNRNRDCLH-UHFFFAOYSA-N -1 0 346.770 3.557 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(C(=O)[O-])ccc2Cl)c2ccc(F)cc2O1 ZINC001594488669 985585024 /nfs/dbraw/zinc/58/50/24/985585024.db2.gz HQLDWBSGKJLJDT-VIFPVBQESA-N -1 0 349.745 3.605 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(C(=O)[O-])ccc2Cl)CCc2ccccc21 ZINC001594489206 985591164 /nfs/dbraw/zinc/59/11/64/985591164.db2.gz NUSPFVXTLPSMKA-LBPRGKRZSA-N -1 0 343.810 3.840 20 0 EHADRM Cc1[nH]c(C(=O)N2C[C@H](c3ccccc3)CC2(C)C)c(C)c1C(=O)[O-] ZINC001599950087 985593236 /nfs/dbraw/zinc/59/32/36/985593236.db2.gz DKDPPSUJMYBUGV-OAHLLOKOSA-N -1 0 340.423 3.738 20 0 EHADRM Cc1[nH]c(C(=O)N(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c(C)c1C(=O)[O-] ZINC001599950912 985605471 /nfs/dbraw/zinc/60/54/71/985605471.db2.gz MLGLLPWJNRSHCI-PHIMTYICSA-N -1 0 346.349 3.523 20 0 EHADRM CC(=O)Nc1ccc(NC(=O)Nc2cc(C(=O)[O-])ccc2C)cc1C ZINC001589195889 985623418 /nfs/dbraw/zinc/62/34/18/985623418.db2.gz LMSMWBAXXDYRBQ-UHFFFAOYSA-N -1 0 341.367 3.604 20 0 EHADRM CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC001589204751 985663281 /nfs/dbraw/zinc/66/32/81/985663281.db2.gz CEXCDVBISHPNKJ-DIFFPNOSSA-N -1 0 346.814 3.775 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1C[C@H](C(C)C)c2ccccc21 ZINC001599955663 985685372 /nfs/dbraw/zinc/68/53/72/985685372.db2.gz AXJWVQOEBZILPV-CQSZACIVSA-N -1 0 326.396 3.730 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCc1c(Cl)cccc1Cl ZINC001599957480 985713262 /nfs/dbraw/zinc/71/32/62/985713262.db2.gz RXOHHHAQGCXGDE-UHFFFAOYSA-N -1 0 341.194 3.567 20 0 EHADRM C[C@H]1CN(CC(=O)c2c[nH]c3ccc(C(=O)[O-])cc23)[C@@H]1c1ccccc1 ZINC001594507160 985724559 /nfs/dbraw/zinc/72/45/59/985724559.db2.gz LMTRANZDWXNDET-RBZFPXEDSA-N -1 0 348.402 3.742 20 0 EHADRM CC(=O)[C@@H]1C[C@H](CC(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)C1(C)C ZINC001589234104 985791964 /nfs/dbraw/zinc/79/19/64/985791964.db2.gz QHUMISCHFBWWNE-MAZHCROVSA-N -1 0 332.396 3.630 20 0 EHADRM Cc1[nH]c2ccc(C(=O)NCCCCC3(C(=O)[O-])CCC3)cc2c1C ZINC001599965090 985886466 /nfs/dbraw/zinc/88/64/66/985886466.db2.gz OAJVWMORDXHOJJ-UHFFFAOYSA-N -1 0 342.439 3.940 20 0 EHADRM Cc1[nH]c2ccc(C(=O)OCc3cc(C(=O)[O-])c(C)o3)cc2c1C ZINC001599965438 985894753 /nfs/dbraw/zinc/89/47/53/985894753.db2.gz YDAVPBAOQMQZGQ-UHFFFAOYSA-N -1 0 327.336 3.741 20 0 EHADRM CC(=O)c1cc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)cs1 ZINC001589257245 985900240 /nfs/dbraw/zinc/90/02/40/985900240.db2.gz ATULAZYXBSHMLQ-UHFFFAOYSA-N -1 0 347.392 3.688 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])[nH]c1NC(=O)C(C)=Cc1cccc(Cl)c1 ZINC001589261340 985922386 /nfs/dbraw/zinc/92/23/86/985922386.db2.gz HCLHAGYFXCEYRK-TWGQIWQCSA-N -1 0 346.770 3.611 20 0 EHADRM CC(=O)c1cc(C(=O)Nc2ccc(C(=O)[O-])s2)ccc1OC(C)C ZINC001589261768 985924775 /nfs/dbraw/zinc/92/47/75/985924775.db2.gz LRYNUODXZHKPNR-UHFFFAOYSA-N -1 0 347.392 3.688 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1CC[C@H](C)C[C@H]1C(=O)[O-] ZINC001599976169 986093938 /nfs/dbraw/zinc/09/39/38/986093938.db2.gz PAQRKBABUSSUFK-ZANVPECISA-N -1 0 335.400 3.674 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N[C@H](CC(=O)[O-])C(C)(C)C ZINC001599978460 986128190 /nfs/dbraw/zinc/12/81/90/986128190.db2.gz FKVRFVRJNCXDKU-CYBMUJFWSA-N -1 0 337.416 3.968 20 0 EHADRM CC(=O)c1oc2cc(C)ccc2c1CC(=O)O[C@@H](CC(C)C)C(=O)[O-] ZINC001589323797 986150024 /nfs/dbraw/zinc/15/00/24/986150024.db2.gz NJRLHWPSUSGTII-INIZCTEOSA-N -1 0 346.379 3.529 20 0 EHADRM CC(C)c1[nH]c(CN2C[C@H](C)OC[C@H]2c2ccccc2)cc1C(=O)[O-] ZINC001594536097 986151184 /nfs/dbraw/zinc/15/11/84/986151184.db2.gz PDEWKJZCOARQMD-KSSFIOAISA-N -1 0 342.439 3.798 20 0 EHADRM CCOCc1ccc(NCc2cc(C(=O)[O-])c3n2CCCC3)cc1 ZINC001596966211 986174745 /nfs/dbraw/zinc/17/47/45/986174745.db2.gz QTSPAJIOGUINAL-UHFFFAOYSA-N -1 0 328.412 3.671 20 0 EHADRM C[C@@H]1CN(Cc2cccc(C(=O)[O-])c2Cl)c2ccccc2NC1=O ZINC001594542528 986186586 /nfs/dbraw/zinc/18/65/86/986186586.db2.gz QBDUXWSZGCWDHM-LLVKDONJSA-N -1 0 344.798 3.633 20 0 EHADRM Cc1c(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)cnn1CCC(C)C ZINC001599982913 986188285 /nfs/dbraw/zinc/18/82/85/986188285.db2.gz MEGRWJMCCKCKQK-UHFFFAOYSA-N -1 0 349.818 3.842 20 0 EHADRM Cc1c(C(=O)Nc2c(F)cccc2C(=O)[O-])cnn1C1CCCCC1 ZINC001599983451 986196339 /nfs/dbraw/zinc/19/63/39/986196339.db2.gz QXLYUXPLAVSGII-UHFFFAOYSA-N -1 0 345.374 3.786 20 0 EHADRM CCOc1cc(-c2ccccc2)sc1C(=O)NC[C@@H](CC)C(=O)[O-] ZINC001596991510 986270667 /nfs/dbraw/zinc/27/06/67/986270667.db2.gz MIJORRCGKIEHED-GFCCVEGCSA-N -1 0 347.436 3.654 20 0 EHADRM CCOc1c(F)cccc1C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001596991934 986274712 /nfs/dbraw/zinc/27/47/12/986274712.db2.gz YLSLGHGRXMQFEG-UHFFFAOYSA-N -1 0 338.718 3.795 20 0 EHADRM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1Cc1ccc(Cl)cc1 ZINC001594566851 986355517 /nfs/dbraw/zinc/35/55/17/986355517.db2.gz BHLRIRLABVFIDV-AWEZNQCLSA-N -1 0 344.842 3.749 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)Cc1coc2ccccc12 ZINC001597015451 986366459 /nfs/dbraw/zinc/36/64/59/986366459.db2.gz QLNLLVANBABWAO-UHFFFAOYSA-N -1 0 339.347 3.711 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@H](C)c1ccc(F)cc1 ZINC001597021878 986415556 /nfs/dbraw/zinc/41/55/56/986415556.db2.gz FQZVSUTTWRTWDI-LLVKDONJSA-N -1 0 346.358 3.805 20 0 EHADRM C[C@H](C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F)c1ccco1 ZINC001589387046 986490733 /nfs/dbraw/zinc/49/07/33/986490733.db2.gz DBELQSGRZRUAMW-ZANVPECISA-N -1 0 341.285 3.501 20 0 EHADRM C[C@@H]1COc2ccccc2[C@H]1OC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001594607805 986587877 /nfs/dbraw/zinc/58/78/77/986587877.db2.gz NUZDURMXPBNTHI-ACJLOTCBSA-N -1 0 332.396 3.725 20 0 EHADRM C[C@@H]1Cc2cc(Cl)ccc2N1C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001594616908 986637990 /nfs/dbraw/zinc/63/79/90/986637990.db2.gz YRMLFCHCQZAUPB-SECBINFHSA-N -1 0 333.746 3.769 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001594618876 986643596 /nfs/dbraw/zinc/64/35/96/986643596.db2.gz MAATUOSTZFIOBK-MNOVXSKESA-N -1 0 345.345 3.811 20 0 EHADRM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001594623049 986671322 /nfs/dbraw/zinc/67/13/22/986671322.db2.gz RPCGKYBLFXOQCT-BBATYDOGSA-N -1 0 342.370 3.508 20 0 EHADRM C[C@@H](C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21)c1ccc2ccccc2c1 ZINC001589431045 986724077 /nfs/dbraw/zinc/72/40/77/986724077.db2.gz WETBLSQKSQRUMH-FXJWEYNDSA-N -1 0 337.419 3.559 20 0 EHADRM CCOc1ccc(NC(=O)CSc2ccccc2)c(C(=O)[O-])c1F ZINC001597117060 986791013 /nfs/dbraw/zinc/79/10/13/986791013.db2.gz BYKQKCYFVKPBAM-UHFFFAOYSA-N -1 0 349.383 3.653 20 0 EHADRM CCOc1ccc(NC(=O)c2sccc2Cl)c(C(=O)[O-])c1F ZINC001597122607 986818454 /nfs/dbraw/zinc/81/84/54/986818454.db2.gz DXCFMRCYPQWEBF-UHFFFAOYSA-N -1 0 343.763 3.890 20 0 EHADRM CCOc1ccc(NC(=O)c2csc(C)c2C)c(C(=O)[O-])c1F ZINC001597122691 986818936 /nfs/dbraw/zinc/81/89/36/986818936.db2.gz GBBJVSIIZWAVRF-UHFFFAOYSA-N -1 0 337.372 3.853 20 0 EHADRM CCOc1ccc(S[C@H](C(=O)[O-])c2cccc(C(=O)OC)c2)cc1 ZINC001597137171 986874540 /nfs/dbraw/zinc/87/45/40/986874540.db2.gz AZBYJLHIZAWZFE-INIZCTEOSA-N -1 0 346.404 3.790 20 0 EHADRM CCOc1ccc2cc(C(=O)c3[nH]c(C)c(C(=O)[O-])c3C)oc2c1 ZINC001597143594 986900399 /nfs/dbraw/zinc/90/03/99/986900399.db2.gz BMYBIWUTGAMIHF-UHFFFAOYSA-N -1 0 327.336 3.706 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1ccc(F)c2occc21)c1ccccc1 ZINC001589461930 986914227 /nfs/dbraw/zinc/91/42/27/986914227.db2.gz IPMYYJKXWWJWPD-BZNIZROVSA-N -1 0 341.338 3.764 20 0 EHADRM C[C@@H]1[C@H](C)Sc2ccccc2N1C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001594666191 986963377 /nfs/dbraw/zinc/96/33/77/986963377.db2.gz QQONWSLIJQAIDV-RIYCMIKQSA-N -1 0 343.404 3.907 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)CCSc1ccccc1Cl)C1CCC1 ZINC001589472577 986968400 /nfs/dbraw/zinc/96/84/00/986968400.db2.gz RMCOINHCGDCKDG-NSHDSACASA-N -1 0 341.860 3.676 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)CCc1ccc(Cl)c(Cl)c1)C1CCC1 ZINC001589472787 986969449 /nfs/dbraw/zinc/96/94/49/986969449.db2.gz UKIRWBRYVGKTDN-SNVBAGLBSA-N -1 0 344.238 3.780 20 0 EHADRM C[C@H]1c2ccccc2OCCN1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001594669075 986977992 /nfs/dbraw/zinc/97/79/92/986977992.db2.gz ZKVVOHYGUVHAMU-NSHDSACASA-N -1 0 344.342 3.511 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)c1ccc(Cl)cc1C(F)(F)F)C1CCC1 ZINC001589476998 986980089 /nfs/dbraw/zinc/98/00/89/986980089.db2.gz KEXPWCHKPKEHKO-MRVPVSSYSA-N -1 0 349.736 3.827 20 0 EHADRM CC[C@@H](C)Oc1ccccc1-c1ccc(C(=O)N[C@H](C)C(=O)[O-])s1 ZINC000579853301 1015267625 /nfs/dbraw/zinc/26/76/25/1015267625.db2.gz LSCWHMIDHSFGET-VXGBXAGGSA-N -1 0 347.436 3.795 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)c1cc(C2CC2)nc2ccccc21)C1CCC1 ZINC001589478019 986989562 /nfs/dbraw/zinc/98/95/62/986989562.db2.gz VXPWCCMRVNIPKL-GFCCVEGCSA-N -1 0 338.407 3.580 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)c1cc(C2CC2)nc2ccccc21)C1CCC1 ZINC001589478020 986989675 /nfs/dbraw/zinc/98/96/75/986989675.db2.gz VXPWCCMRVNIPKL-LBPRGKRZSA-N -1 0 338.407 3.580 20 0 EHADRM C/C=C/C[C@@H]1CCCN(C(=O)Nc2cccc(CCC(=O)[O-])c2)C1 ZINC001594686114 987061660 /nfs/dbraw/zinc/06/16/60/987061660.db2.gz NUZAWAPDMQGGJL-WOMSROEHSA-N -1 0 330.428 3.914 20 0 EHADRM CC/C(=C\C(=O)N[C@@H](C(=O)[O-])c1ccccc1F)c1ccc(C)cc1 ZINC001594690665 987081611 /nfs/dbraw/zinc/08/16/11/987081611.db2.gz GWIAJDKVUICIRA-XYDKVEKUSA-N -1 0 341.382 3.870 20 0 EHADRM CC/C(=C/C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-])c1ccc(OC)cc1 ZINC001594690826 987084166 /nfs/dbraw/zinc/08/41/66/987084166.db2.gz JKHKMFMDPLQYMI-MMEMQRNESA-N -1 0 345.439 3.638 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N(C)Cc2ccc(F)c(F)c2)cc1 ZINC001589505589 987121401 /nfs/dbraw/zinc/12/14/01/987121401.db2.gz VAHXFDOYZGNSAT-NSHDSACASA-N -1 0 348.349 3.817 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CCC(C)(C3CC3)CC2)cc1 ZINC001589507967 987126001 /nfs/dbraw/zinc/12/60/01/987126001.db2.gz FRUVZFCNSSZDEF-CYBMUJFWSA-N -1 0 330.428 3.919 20 0 EHADRM CC(C)[C@@H]1N(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)CC12CCC2 ZINC001589508667 987129970 /nfs/dbraw/zinc/12/99/70/987129970.db2.gz LJJLOLMCWDTGDQ-CJNGLKHVSA-N -1 0 330.428 3.917 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NCC(C)(C)C(F)(F)F)cc1 ZINC001589513480 987158700 /nfs/dbraw/zinc/15/87/00/987158700.db2.gz UPTMXYRZSXRXCJ-SECBINFHSA-N -1 0 332.322 3.585 20 0 EHADRM CCC(=O)c1cc(C(=O)Nc2sc(CC)cc2C(=O)[O-])ccc1F ZINC001594717554 987195306 /nfs/dbraw/zinc/19/53/06/987195306.db2.gz FERINWUZISPHPW-UHFFFAOYSA-N -1 0 349.383 3.993 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC[C@@H](O)Cc2cccc(Cl)c2)c1 ZINC001589531928 987208242 /nfs/dbraw/zinc/20/82/42/987208242.db2.gz LEUAUJDACWBLKB-SJCJKPOMSA-N -1 0 333.815 3.544 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)Cc2ccccc2OC(F)F)c1 ZINC001589532006 987209091 /nfs/dbraw/zinc/20/90/91/987209091.db2.gz ABXIOOGQRRMCCT-LLVKDONJSA-N -1 0 349.333 3.657 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)CSc2ccc(F)cc2)c1 ZINC001589532032 987209959 /nfs/dbraw/zinc/20/99/59/987209959.db2.gz AGDCZQISAROZBJ-NSHDSACASA-N -1 0 333.384 3.745 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)Cc2cccc(Cl)c2F)c1 ZINC001589533500 987227375 /nfs/dbraw/zinc/22/73/75/987227375.db2.gz QVBGIBSGBMGLMN-JTQLQIEISA-N -1 0 335.762 3.848 20 0 EHADRM C[C@H](C(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F)C1CCC1 ZINC001589539264 987234093 /nfs/dbraw/zinc/23/40/93/987234093.db2.gz BVWBMHPJNXCIBS-ZANVPECISA-N -1 0 330.302 3.968 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NCc2ccnn2CCc2ccccc2)c1 ZINC001589540026 987239023 /nfs/dbraw/zinc/23/90/23/987239023.db2.gz NYGBJFNSHBGVFZ-INIZCTEOSA-N -1 0 349.434 3.926 20 0 EHADRM C[C@@H](C(=O)O[C@@H](C(=O)[O-])c1ccsc1)c1ccc(Cl)s1 ZINC001589540807 987248727 /nfs/dbraw/zinc/24/87/27/987248727.db2.gz RNBCVTHWMSOZQS-RDDDGLTNSA-N -1 0 330.814 3.936 20 0 EHADRM CC[C@@H](C(=O)Nc1cc(CCC(=O)[O-])ccc1O)c1ccccc1 ZINC001594736369 987275931 /nfs/dbraw/zinc/27/59/31/987275931.db2.gz XYXXHCUZTQQBQD-OAHLLOKOSA-N -1 0 327.380 3.542 20 0 EHADRM CCSCC[C@H](C)NC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001597258991 987275871 /nfs/dbraw/zinc/27/58/71/987275871.db2.gz BVIHANDEGYYLFI-OLZOCXBDSA-N -1 0 338.473 3.603 20 0 EHADRM C[C@H](C(=O)OC[C@@](C)(C(=O)[O-])c1ccccc1)c1ccccc1F ZINC001589549068 987282724 /nfs/dbraw/zinc/28/27/24/987282724.db2.gz VMGPDBIJXIXLDW-ORAYPTAESA-N -1 0 330.355 3.515 20 0 EHADRM C[C@H](C(=O)Oc1ccc(C(=O)[O-])cc1Br)C1CCCC1 ZINC001589553648 987292500 /nfs/dbraw/zinc/29/25/00/987292500.db2.gz PUXNAGSWDLAPLS-VIFPVBQESA-N -1 0 341.201 3.879 20 0 EHADRM CCSc1ccc(CC(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC001597273493 987330074 /nfs/dbraw/zinc/33/00/74/987330074.db2.gz YACQIDPESDVUOA-UHFFFAOYSA-N -1 0 343.448 3.997 20 0 EHADRM CC(C)(C(=O)NCCCCCC(=O)[O-])c1cccc2ccccc21 ZINC001589570417 987338159 /nfs/dbraw/zinc/33/81/59/987338159.db2.gz IAOMWXVEEFVXLS-UHFFFAOYSA-N -1 0 327.424 3.879 20 0 EHADRM CCSc1cccnc1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001597280260 987351517 /nfs/dbraw/zinc/35/15/17/987351517.db2.gz WPCQHSSTZWVCIM-UHFFFAOYSA-N -1 0 336.800 3.798 20 0 EHADRM CC(C)(C(=O)Nc1ccc(C(=O)[O-])c2ccccc12)c1ccccn1 ZINC001589576057 987353741 /nfs/dbraw/zinc/35/37/41/987353741.db2.gz GWCHEIVSKDNKKA-UHFFFAOYSA-N -1 0 334.375 3.849 20 0 EHADRM CC[C@@H](NC(=O)c1c(C)coc1CC(=O)[O-])c1ccc(C)c(F)c1 ZINC001597288330 987370199 /nfs/dbraw/zinc/37/01/99/987370199.db2.gz CTPLOZGTZHSNFA-CQSZACIVSA-N -1 0 333.359 3.544 20 0 EHADRM Cc1[nH]nc(C(=O)N2CC3(CCCCC3)[C@H]2c2ccccc2)c1[O-] ZINC000655277087 1015302978 /nfs/dbraw/zinc/30/29/78/1015302978.db2.gz KXZPQDQJGVNCHW-QGZVFWFLSA-N -1 0 325.412 3.571 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1ccccc1 ZINC001589592283 987400709 /nfs/dbraw/zinc/40/07/09/987400709.db2.gz RXTPXUNGTOWLJL-FCGDIQPGSA-N -1 0 349.430 3.541 20 0 EHADRM CC[C@H](NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC001597334181 987468813 /nfs/dbraw/zinc/46/88/13/987468813.db2.gz HQDVURAEKSDJLB-KRWDZBQOSA-N -1 0 344.386 3.817 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)c2scnc2C(F)F)c1 ZINC001589650917 987598955 /nfs/dbraw/zinc/59/89/55/987598955.db2.gz OWZUAHIELHVLRU-UHFFFAOYSA-N -1 0 341.335 3.662 20 0 EHADRM CCc1[nH]c(CNc2cc(F)c(OC(C)C)c(F)c2)cc1C(=O)[O-] ZINC001597394941 987645209 /nfs/dbraw/zinc/64/52/09/987645209.db2.gz KKBXFEQKKWJNAO-UHFFFAOYSA-N -1 0 338.354 3.953 20 0 EHADRM CCc1c(NCc2ccc(C(=O)[O-])[nH]2)cnn1-c1ccccc1Cl ZINC001597419526 987723339 /nfs/dbraw/zinc/72/33/39/987723339.db2.gz BOQWWVBAUIKNKI-UHFFFAOYSA-N -1 0 344.802 3.727 20 0 EHADRM CCc1cc(C(=O)N[C@](C)(C(=O)[O-])C2CC2)sc1-c1ccccc1 ZINC001597427522 987758917 /nfs/dbraw/zinc/75/89/17/987758917.db2.gz IVJZZUPDBVATSI-IBGZPJMESA-N -1 0 343.448 3.961 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)[C@H](c1ccncc1)C1CCCCC1 ZINC001589700438 987790850 /nfs/dbraw/zinc/79/08/50/987790850.db2.gz LMTMNUUCTKAECL-WMZOPIPTSA-N -1 0 346.471 3.751 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)/C=C\c1ccsc1C(F)(F)F ZINC001589700384 987790916 /nfs/dbraw/zinc/79/09/16/987790916.db2.gz KJSIFAKBTUBOKU-LWTINBJPSA-N -1 0 349.374 3.786 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)CC1(CSc2ccccc2)CC1 ZINC001589701277 987796656 /nfs/dbraw/zinc/79/66/56/987796656.db2.gz WPYCCZBEDORIHF-OAHLLOKOSA-N -1 0 349.496 3.955 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC001589704297 987810054 /nfs/dbraw/zinc/81/00/54/987810054.db2.gz INNKWJBQIJMWPY-NSHDSACASA-N -1 0 349.761 3.561 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCCCc1cccs1 ZINC001597459475 987885319 /nfs/dbraw/zinc/88/53/19/987885319.db2.gz IBGMSXCXXXIDOG-UHFFFAOYSA-N -1 0 332.425 3.763 20 0 EHADRM CC(C)(C)C1CCC(CNC(=O)NCCCCCC(=O)[O-])CC1 ZINC001589727722 987923781 /nfs/dbraw/zinc/92/37/81/987923781.db2.gz AOJWODYNPFIASA-UHFFFAOYSA-N -1 0 326.481 3.783 20 0 EHADRM CC(C)(C)C1CCC(CNC(=O)Nc2cccc(C(=O)[O-])n2)CC1 ZINC001589728155 987927975 /nfs/dbraw/zinc/92/79/75/987927975.db2.gz FHNOHEMVYQOGSA-UHFFFAOYSA-N -1 0 333.432 3.754 20 0 EHADRM CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001589729383 987944072 /nfs/dbraw/zinc/94/40/72/987944072.db2.gz XYJRZASXMUSHSF-XSYNCLLFSA-N -1 0 335.488 3.990 20 0 EHADRM CCc1cc(Cl)cnc1NCc1cc(C(=O)[O-])c2n1CCCC2 ZINC001597477050 987945435 /nfs/dbraw/zinc/94/54/35/987945435.db2.gz SLMUSRWOEMJLCF-UHFFFAOYSA-N -1 0 333.819 3.746 20 0 EHADRM CC(C)(C)[C@H]1CCCN(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)C1 ZINC001589733017 987972643 /nfs/dbraw/zinc/97/26/43/987972643.db2.gz WCPQLQYUPYYJTG-ZDUSSCGKSA-N -1 0 336.407 3.743 20 0 EHADRM CC(C)(C)[C@H]1CN([C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)CCO1 ZINC001589733898 987975094 /nfs/dbraw/zinc/97/50/94/987975094.db2.gz ASCZJPIHWJINCK-KGLIPLIRSA-N -1 0 345.361 3.578 20 0 EHADRM CCc1cc2c(CC(=O)N3CCC[C@@H]4C[C@@]43C(=O)[O-])csc2s1 ZINC001597488629 988000507 /nfs/dbraw/zinc/00/05/07/988000507.db2.gz JXTVGXOLAJVKOH-DIFFPNOSSA-N -1 0 349.477 3.533 20 0 EHADRM CC(C)(C)/C=C/C(=O)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001589738819 988007401 /nfs/dbraw/zinc/00/74/01/988007401.db2.gz WTDAAEINDJQHKZ-SBDDDAINSA-N -1 0 329.318 3.550 20 0 EHADRM CC(C)(C)CC(C)(C)C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC001589742504 988018834 /nfs/dbraw/zinc/01/88/34/988018834.db2.gz VFTYOEUOJFQVTI-UHFFFAOYSA-N -1 0 326.462 3.951 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)C1CCC(c2ccccc2)CC1)C(=O)[O-] ZINC001589743080 988021651 /nfs/dbraw/zinc/02/16/51/988021651.db2.gz CFVNNDCALYVHOD-OFLPRAFFSA-N -1 0 331.456 3.966 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001589743437 988026768 /nfs/dbraw/zinc/02/67/68/988026768.db2.gz NPDLTYKFMCFHOD-ZDUSSCGKSA-N -1 0 346.254 3.932 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)/C=C\c1csc(C(F)(F)F)c1)C(=O)[O-] ZINC001589743580 988029336 /nfs/dbraw/zinc/02/93/36/988029336.db2.gz RMKULGGFDPFREB-UMCURTJPSA-N -1 0 349.374 3.786 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)c1ccc(Oc2ccccc2)o1)C(=O)[O-] ZINC001589750788 988047368 /nfs/dbraw/zinc/04/73/68/988047368.db2.gz CNPQIUXYEZCNIS-CYBMUJFWSA-N -1 0 331.368 3.691 20 0 EHADRM CCc1ccc(C(=O)NC[C@H](C(=O)[O-])c2ccc(C)cc2)cc1CC ZINC001597500983 988062403 /nfs/dbraw/zinc/06/24/03/988062403.db2.gz IEQFFVVPZONLAC-IBGZPJMESA-N -1 0 339.435 3.718 20 0 EHADRM CCc1ccc(C(=O)[O-])c(OC(=O)CCC(=O)c2ccc(C)s2)c1 ZINC001597506418 988075819 /nfs/dbraw/zinc/07/58/19/988075819.db2.gz DVHOXQZNYWZFID-UHFFFAOYSA-N -1 0 346.404 3.886 20 0 EHADRM CSCCCCCCC(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC001599797399 988119403 /nfs/dbraw/zinc/11/94/03/988119403.db2.gz IDRKKUHEZKBMED-UHFFFAOYSA-N -1 0 335.469 3.978 20 0 EHADRM CC(C)(C)CCCCNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001589771846 988125141 /nfs/dbraw/zinc/12/51/41/988125141.db2.gz KIIBNPNHHBELLI-UHFFFAOYSA-N -1 0 347.864 3.533 20 0 EHADRM CCc1ccc(C2CCN([C@H](C)c3nc(C(=O)[O-])co3)CC2)cc1 ZINC001597517390 988132902 /nfs/dbraw/zinc/13/29/02/988132902.db2.gz LOONMEWYJDMEEQ-CYBMUJFWSA-N -1 0 328.412 3.876 20 0 EHADRM CCc1ccc(C2=CCN(C(=O)c3cc(C)c(C(=O)[O-])o3)CC2)cc1 ZINC001597518536 988138399 /nfs/dbraw/zinc/13/83/99/988138399.db2.gz VVLZUSHSIPZKSJ-UHFFFAOYSA-N -1 0 339.391 3.778 20 0 EHADRM CC(C)(C)CN(CC(C)(C)C)C(=O)NCc1ccccc1CC(=O)[O-] ZINC001589780054 988146943 /nfs/dbraw/zinc/14/69/43/988146943.db2.gz HSBLGSMWPSKLAB-UHFFFAOYSA-N -1 0 348.487 3.918 20 0 EHADRM CCc1ccc(CN(C)C(=O)Nc2ccc(C(=O)[O-])cc2OC)cc1 ZINC001597524746 988164646 /nfs/dbraw/zinc/16/46/46/988164646.db2.gz KNJXXJNOWQLIEP-UHFFFAOYSA-N -1 0 342.395 3.620 20 0 EHADRM CC(C)(C)Cc1csc(NC(=O)/C=C\c2cc(C(=O)[O-])co2)n1 ZINC001589788929 988172939 /nfs/dbraw/zinc/17/29/39/988172939.db2.gz IEGGHYBAHUONMU-PLNGDYQASA-N -1 0 334.397 3.675 20 0 EHADRM CCc1ccc(F)cc1C(=O)N1CCCc2ccc(C)c(C(=O)[O-])c21 ZINC001597530810 988189131 /nfs/dbraw/zinc/18/91/31/988189131.db2.gz PSYWLOPBMITYAK-UHFFFAOYSA-N -1 0 341.382 3.988 20 0 EHADRM CSCc1ccc(CNC(=O)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC001599802204 988195705 /nfs/dbraw/zinc/19/57/05/988195705.db2.gz DZRSFURKQOQGDI-UHFFFAOYSA-N -1 0 344.436 3.878 20 0 EHADRM CS[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC001599803690 988219576 /nfs/dbraw/zinc/21/95/76/988219576.db2.gz SOVCHALULLBZQL-UKRRQHHQSA-N -1 0 336.457 3.797 20 0 EHADRM CCc1ccc(NC(=O)N(C)C[C@@H](C)c2nccs2)c(C(=O)[O-])c1 ZINC001597544654 988243938 /nfs/dbraw/zinc/24/39/38/988243938.db2.gz ILEPGLSTTJCAJW-LLVKDONJSA-N -1 0 347.440 3.671 20 0 EHADRM CSc1c(F)cc(NCc2ccc(/C=C/C(=O)[O-])o2)cc1F ZINC001599806107 988258018 /nfs/dbraw/zinc/25/80/18/988258018.db2.gz LTCDFPUSAUUCAE-SNAWJCMRSA-N -1 0 325.336 3.990 20 0 EHADRM CSc1cc(C(=O)N[C@@H](C(=O)[O-])c2cccc3ccccc32)co1 ZINC001599806539 988265362 /nfs/dbraw/zinc/26/53/62/988265362.db2.gz ISGIHTKGLKMTFP-MRXNPFEDSA-N -1 0 341.388 3.710 20 0 EHADRM CSc1cc(O)ccc1NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001599809386 988307584 /nfs/dbraw/zinc/30/75/84/988307584.db2.gz GLJCXUWYYSNKLQ-UHFFFAOYSA-N -1 0 346.408 3.775 20 0 EHADRM CCc1ccc2ccccc2c1CNC(=O)c1cc(C(=O)[O-])oc1C ZINC001597568431 988325399 /nfs/dbraw/zinc/32/53/99/988325399.db2.gz IHOZQZZIKOFQDB-UHFFFAOYSA-N -1 0 337.375 3.932 20 0 EHADRM CCc1cccc(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)c1O ZINC001597575569 988360419 /nfs/dbraw/zinc/36/04/19/988360419.db2.gz ADZPQVYOTPROGL-UHFFFAOYSA-N -1 0 348.424 3.659 20 0 EHADRM CSc1ccc(NC(=O)/C=C/c2ccnc(Cl)c2)cc1C(=O)[O-] ZINC001599815947 988424585 /nfs/dbraw/zinc/42/45/85/988424585.db2.gz JQCHCWAGIIMUDW-GORDUTHDSA-N -1 0 348.811 3.807 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cc(Cl)cc(Cl)n1 ZINC001597594820 988433777 /nfs/dbraw/zinc/43/37/77/988433777.db2.gz WDSVCPOPMHXGAO-UHFFFAOYSA-N -1 0 339.178 3.901 20 0 EHADRM CCc1cccc(NC(=O)CNc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC001597595419 988440113 /nfs/dbraw/zinc/44/01/13/988440113.db2.gz OOOAYLOKTPTSMW-CQSZACIVSA-N -1 0 340.423 3.563 20 0 EHADRM CCc1cccc(NC(=O)CNc2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC001597595418 988440324 /nfs/dbraw/zinc/44/03/24/988440324.db2.gz OOOAYLOKTPTSMW-AWEZNQCLSA-N -1 0 340.423 3.563 20 0 EHADRM CSc1ccc(NC(=O)c2ccc3ncccc3c2)cc1C(=O)[O-] ZINC001599817142 988447204 /nfs/dbraw/zinc/44/72/04/988447204.db2.gz HGQIMWOUZHWZDO-UHFFFAOYSA-N -1 0 338.388 3.907 20 0 EHADRM CSc1ccc(NC(=O)c2nccc3occc32)cc1C(=O)[O-] ZINC001599820579 988506274 /nfs/dbraw/zinc/50/62/74/988506274.db2.gz CATKNWRZCFFSDF-UHFFFAOYSA-N -1 0 328.349 3.500 20 0 EHADRM CSc1ccccc1[C@H](C)NCC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001599825811 988596912 /nfs/dbraw/zinc/59/69/12/988596912.db2.gz QQGCPVGWOPOVQT-NSHDSACASA-N -1 0 346.452 3.585 20 0 EHADRM CSc1ccccc1[C@@H](C)OC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001599826255 988602505 /nfs/dbraw/zinc/60/25/05/988602505.db2.gz JIEBXRQZLHFYMZ-GFCCVEGCSA-N -1 0 330.405 3.954 20 0 EHADRM CCc1cnccc1[C@@H](C)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001597637190 988622929 /nfs/dbraw/zinc/62/29/29/988622929.db2.gz YOTJDEDDVNTOSS-LLVKDONJSA-N -1 0 345.374 3.672 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)Nc1ccc(SC(C)(C)C)c(F)c1 ZINC001599832573 988695613 /nfs/dbraw/zinc/69/56/13/988695613.db2.gz ICTILSWHEVUYCL-VIFPVBQESA-N -1 0 328.409 3.701 20 0 EHADRM C[C@@H](CC(=O)[O-])OC(=O)C(C)(C)c1csc(-c2cccs2)n1 ZINC001599833505 988708051 /nfs/dbraw/zinc/70/80/51/988708051.db2.gz PBQHMECVWIAFBV-VIFPVBQESA-N -1 0 339.438 3.556 20 0 EHADRM C[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccc2c(c1)CCC2 ZINC001599840085 988810766 /nfs/dbraw/zinc/81/07/66/988810766.db2.gz BYCYNBITQXNVML-LLVKDONJSA-N -1 0 342.370 3.895 20 0 EHADRM C[C@@H](NC(=O)c1cc(F)cc(C(=O)[O-])c1)c1cc(Cl)ccc1F ZINC001599840580 988821092 /nfs/dbraw/zinc/82/10/92/988821092.db2.gz QXRRSPRQWXMJIY-MRVPVSSYSA-N -1 0 339.725 3.807 20 0 EHADRM CCc1nc(SCc2nc3cc(C(=O)[O-])ccc3[nH]2)sc1C ZINC001597689089 988857513 /nfs/dbraw/zinc/85/75/13/988857513.db2.gz DJRPSCDTAVHNPG-UHFFFAOYSA-N -1 0 333.438 3.881 20 0 EHADRM CCc1nc2cc(NC(=O)NCCCCCCC(=O)[O-])ccc2o1 ZINC001597691556 988886137 /nfs/dbraw/zinc/88/61/37/988886137.db2.gz XFUXOKCTSPXIJU-UHFFFAOYSA-N -1 0 333.388 3.547 20 0 EHADRM C[C@@H](OC(=O)C12CCC(C(=O)[O-])(CC1)CC2)c1ccc(Cl)cn1 ZINC001599846089 988934103 /nfs/dbraw/zinc/93/41/03/988934103.db2.gz BBHCGNIWVVZJOT-LBWKMTJJSA-N -1 0 337.803 3.764 20 0 EHADRM CCc1ncsc1NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001597712766 988977523 /nfs/dbraw/zinc/97/75/23/988977523.db2.gz ZIOKKXHAHURCMX-CYBMUJFWSA-N -1 0 347.440 3.679 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccccc2-c2cccs2)C[C@H]1CC(=O)[O-] ZINC001599860188 989155290 /nfs/dbraw/zinc/15/52/90/989155290.db2.gz AUPGMBLDXWBZDM-CHWSQXEVSA-N -1 0 344.436 3.990 20 0 EHADRM CCc1oc2ccccc2c1C(=O)N1C[C@@H](C(=O)[O-])Cc2ccccc21 ZINC001597807977 989422764 /nfs/dbraw/zinc/42/27/64/989422764.db2.gz OPSGMGBUUQHQLA-AWEZNQCLSA-N -1 0 349.386 3.899 20 0 EHADRM CCc1oc2ccccc2c1CN(C)C(=O)c1cc(C(=O)[O-])oc1C ZINC001597808232 989423781 /nfs/dbraw/zinc/42/37/81/989423781.db2.gz UWCCWIYHEVQNSR-UHFFFAOYSA-N -1 0 341.363 3.867 20 0 EHADRM CCn1c(SC/C(C)=C/C(=O)[O-])nnc1-c1cccc(Cl)c1 ZINC001597864726 989650115 /nfs/dbraw/zinc/65/01/15/989650115.db2.gz NISXKCUTQZSIDR-JXMROGBWSA-N -1 0 337.832 3.741 20 0 EHADRM CCn1cc(CC(=O)Nc2scc(C)c2C(=O)[O-])c2ccccc21 ZINC001597884497 989720433 /nfs/dbraw/zinc/72/04/33/989720433.db2.gz OMMLXTUQSOLFNY-UHFFFAOYSA-N -1 0 342.420 3.911 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccc(OCC2(C(=O)[O-])CC2)c(Cl)c1 ZINC001590304401 989734151 /nfs/dbraw/zinc/73/41/51/989734151.db2.gz XXKUURKDCGOFFE-UHFFFAOYSA-N -1 0 341.791 3.931 20 0 EHADRM CC(C)(C)Oc1ccccc1CNC(=O)c1ccc(C(=O)[O-])cc1F ZINC001590419612 989960913 /nfs/dbraw/zinc/96/09/13/989960913.db2.gz GEJHZBFEAJNPHF-UHFFFAOYSA-N -1 0 345.370 3.631 20 0 EHADRM CC(C)(C)SCCNC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001590429915 989989035 /nfs/dbraw/zinc/98/90/35/989989035.db2.gz OTLVRBYABUYEPF-UHFFFAOYSA-N -1 0 335.429 3.519 20 0 EHADRM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001590435010 989994220 /nfs/dbraw/zinc/99/42/20/989994220.db2.gz RCMHEILTXXGYFE-UPJWGTAASA-N -1 0 343.345 3.630 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2CCCc3c(C(=O)[O-])cccc32)nc1 ZINC001590472735 990046777 /nfs/dbraw/zinc/04/67/77/990046777.db2.gz WQQCQVBKVHXYMI-UHFFFAOYSA-N -1 0 338.407 3.670 20 0 EHADRM CC(C)(C)c1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)nc1 ZINC001590481711 990076082 /nfs/dbraw/zinc/07/60/82/990076082.db2.gz PVEPGDACUWSSIQ-HNNXBMFYSA-N -1 0 331.343 3.501 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)CCC(F)F)cc1 ZINC001590481761 990077333 /nfs/dbraw/zinc/07/73/33/990077333.db2.gz SIGRUKRAMGRJBW-ZDUSSCGKSA-N -1 0 327.371 3.661 20 0 EHADRM CC(C)(C)c1ccc(CC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1 ZINC001590484739 990080108 /nfs/dbraw/zinc/08/01/08/990080108.db2.gz DZTDJWUXIHQQGP-UHFFFAOYSA-N -1 0 343.398 3.932 20 0 EHADRM CN(C(=O)C1(C(=O)[O-])CC2(CCC2)C1)c1ccc(C(C)(C)C)cc1 ZINC001597991852 990100057 /nfs/dbraw/zinc/10/00/57/990100057.db2.gz XUXOHQQSEBWEJO-UHFFFAOYSA-N -1 0 329.440 3.982 20 0 EHADRM CN(C(=O)C1=C(c2ccccc2)CCCC1)c1ncc(C(=O)[O-])s1 ZINC001597996171 990102456 /nfs/dbraw/zinc/10/24/56/990102456.db2.gz HTHLNZVRGCWAGI-UHFFFAOYSA-N -1 0 342.420 3.832 20 0 EHADRM CC(C)(C)c1cccc(C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])c1 ZINC001590499494 990113121 /nfs/dbraw/zinc/11/31/21/990113121.db2.gz XGPQJAFRXXXENT-INIZCTEOSA-N -1 0 331.456 3.995 20 0 EHADRM CC(C)(C)c1nc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)co1 ZINC001590538367 990159885 /nfs/dbraw/zinc/15/98/85/990159885.db2.gz CPBDOPBKACVECI-ZDUSSCGKSA-N -1 0 340.782 3.680 20 0 EHADRM CN(C(=O)CC1(CC(=O)[O-])CCCC1)c1nsc2ccccc21 ZINC001598007610 990166761 /nfs/dbraw/zinc/16/67/61/990166761.db2.gz JWPGHLIDDGBRDR-UHFFFAOYSA-N -1 0 332.425 3.684 20 0 EHADRM CC(C)(C)c1ncc(/C=C\C(=O)Nc2cccc(F)c2C(=O)[O-])s1 ZINC001590555838 990193025 /nfs/dbraw/zinc/19/30/25/990193025.db2.gz AVCARTXLNJAAKM-FPLPWBNLSA-N -1 0 348.399 3.930 20 0 EHADRM CC(C)(C)c1ncc(/C=C/C(=O)Oc2ccccc2CC(=O)[O-])s1 ZINC001590555892 990193902 /nfs/dbraw/zinc/19/39/02/990193902.db2.gz CDDWECRDAAKTNX-CMDGGOBGSA-N -1 0 345.420 3.687 20 0 EHADRM CC(C)(C)c1ncc(/C=C/C(=O)O[C@@H]2CCC[C@H](C(=O)[O-])C2)s1 ZINC001590555922 990193949 /nfs/dbraw/zinc/19/39/49/990193949.db2.gz DATOAPVNYXGEIC-ADYIUWEDSA-N -1 0 337.441 3.640 20 0 EHADRM CN(C(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1Cl ZINC001598018047 990197741 /nfs/dbraw/zinc/19/77/41/990197741.db2.gz UVHAVCVIJQJXOF-UHFFFAOYSA-N -1 0 335.762 3.773 20 0 EHADRM CC(C)(C)c1ncc(/C=C/C(=O)Oc2cccc(C(=O)[O-])c2)s1 ZINC001590556654 990198725 /nfs/dbraw/zinc/19/87/25/990198725.db2.gz ZZJJAONPVRLBTE-BQYQJAHWSA-N -1 0 331.393 3.758 20 0 EHADRM CN(C(=O)CCc1ccc(C(F)F)cc1)c1ccccc1C(=O)[O-] ZINC001598018700 990203649 /nfs/dbraw/zinc/20/36/49/990203649.db2.gz XHAKDOQIZFIFGA-UHFFFAOYSA-N -1 0 333.334 3.918 20 0 EHADRM CC(C)(C)c1nnc(CNc2cccc3cc(C(=O)[O-])sc32)o1 ZINC001590565926 990205154 /nfs/dbraw/zinc/20/51/54/990205154.db2.gz PNGWQAJUAYTZRQ-UHFFFAOYSA-N -1 0 331.397 3.892 20 0 EHADRM CC(C)(C)n1cc(NC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cn1 ZINC001590593601 990247348 /nfs/dbraw/zinc/24/73/48/990247348.db2.gz NUPFLLIDDLRIPG-UHFFFAOYSA-N -1 0 336.779 3.634 20 0 EHADRM CN(C(=O)Cc1ccccc1C(=O)[O-])[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001598036411 990262704 /nfs/dbraw/zinc/26/27/04/990262704.db2.gz HZRHMDWWYCBJIP-IEBWSBKVSA-N -1 0 337.419 3.722 20 0 EHADRM CN(C(=O)NCC(C)(C)CCCc1ccccc1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598047435 990286235 /nfs/dbraw/zinc/28/62/35/990286235.db2.gz PSGIMWKZNMIWAE-CALCHBBNSA-N -1 0 346.471 3.540 20 0 EHADRM CC(C)(CC(=O)N1C[C@H](C(=O)[O-])Cc2ccccc21)CC(F)(F)F ZINC001590616920 990295171 /nfs/dbraw/zinc/29/51/71/990295171.db2.gz VAQBMUBUBUKVHK-GFCCVEGCSA-N -1 0 343.345 3.645 20 0 EHADRM CN(C(=O)NC1CC(CC(=O)[O-])C1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001598049592 990298319 /nfs/dbraw/zinc/29/83/19/990298319.db2.gz UXNLHCGEFCQCEP-SYNTWQANSA-N -1 0 344.455 3.608 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCC[C@](C)(c2ccccc2)CC1 ZINC001590626290 990312725 /nfs/dbraw/zinc/31/27/25/990312725.db2.gz FFYPVNCYVODWTR-FQEVSTJZSA-N -1 0 331.456 3.848 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)/C(F)=C/c1ccc(C(F)(F)F)cc1 ZINC001590657851 990357678 /nfs/dbraw/zinc/35/76/78/990357678.db2.gz JKZWRXGIQWLVLB-XFXZXTDPSA-N -1 0 347.308 3.775 20 0 EHADRM CN(C(=O)c1cc(Cl)nc(C2CC2)c1)c1ccccc1C(=O)[O-] ZINC001598078175 990386156 /nfs/dbraw/zinc/38/61/56/990386156.db2.gz YUAQIJIGDVWVPT-UHFFFAOYSA-N -1 0 330.771 3.587 20 0 EHADRM CC(C)(CNC(=O)/C=C/c1cccc(OC2CCCC2)c1)CC(=O)[O-] ZINC001590707918 990455974 /nfs/dbraw/zinc/45/59/74/990455974.db2.gz KEQZFGDJJCBPAP-ZHACJKMWSA-N -1 0 345.439 3.638 20 0 EHADRM CC(C)(C)c1cc2cccnc2c(NC(=O)NCC(C)(C)C(=O)[O-])c1 ZINC001590727184 990524749 /nfs/dbraw/zinc/52/47/49/990524749.db2.gz UYARXYWOIIFNLP-UHFFFAOYSA-N -1 0 343.427 3.765 20 0 EHADRM CC(C)(CNC(=O)N[C@H]1CCCc2ccc(Cl)cc21)CC(=O)[O-] ZINC001590727233 990525593 /nfs/dbraw/zinc/52/55/93/990525593.db2.gz XRLDPQARNXOFKL-AWEZNQCLSA-N -1 0 338.835 3.518 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)C(F)(F)F ZINC001590734451 990529634 /nfs/dbraw/zinc/52/96/34/990529634.db2.gz VOJNQJRELCXGIT-UHFFFAOYSA-N -1 0 338.713 3.748 20 0 EHADRM CC(C)(CNc1cc(SCc2ccccc2)ncn1)CC(=O)[O-] ZINC001590774106 990574510 /nfs/dbraw/zinc/57/45/10/990574510.db2.gz AIIFFHWETPAEFE-UHFFFAOYSA-N -1 0 331.441 3.682 20 0 EHADRM CC(C)(Cc1ccccc1Cl)NC(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001590826478 990667265 /nfs/dbraw/zinc/66/72/65/990667265.db2.gz DJAYPXRYLBERFL-UHFFFAOYSA-N -1 0 349.789 3.928 20 0 EHADRM CC(C)(NCc1ccc(Cl)cc1Cl)c1cc(C(=O)[O-])on1 ZINC001590871519 990778472 /nfs/dbraw/zinc/77/84/72/990778472.db2.gz YGBKGIXMAXGHRM-UHFFFAOYSA-N -1 0 329.183 3.705 20 0 EHADRM CC(C)(NCc1oc2ccccc2c1Cl)c1nocc1C(=O)[O-] ZINC001590874588 990784493 /nfs/dbraw/zinc/78/44/93/990784493.db2.gz GUHSHBFKHBDBFI-UHFFFAOYSA-N -1 0 334.759 3.797 20 0 EHADRM CC(C)=C(C)CC(=O)N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001590912341 990884482 /nfs/dbraw/zinc/88/44/82/990884482.db2.gz IIPWYWYFNPLXRZ-CQSZACIVSA-N -1 0 329.318 3.694 20 0 EHADRM CC(C)C(=O)c1ccc(NC(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC001590949491 991007501 /nfs/dbraw/zinc/00/75/01/991007501.db2.gz RHDCYNYMGJEOLK-UHFFFAOYSA-N -1 0 340.379 3.545 20 0 EHADRM CC(C)C(=O)c1ccc(NC(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC001590949640 991010189 /nfs/dbraw/zinc/01/01/89/991010189.db2.gz XIOLIFYCNNUJFX-UHFFFAOYSA-N -1 0 339.391 3.795 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001590968624 991091046 /nfs/dbraw/zinc/09/10/46/991091046.db2.gz RVERZGKBXRKSSO-NRFANRHFSA-N -1 0 339.435 3.906 20 0 EHADRM COc1cccc2cc(C(=O)Nc3cccc([C@@H](C)C(=O)[O-])c3)oc21 ZINC001599693599 991111809 /nfs/dbraw/zinc/11/18/09/991111809.db2.gz XHXNCSZDJHDCAC-LLVKDONJSA-N -1 0 339.347 3.882 20 0 EHADRM COc1cccc2cc(C(=O)Nc3cc(F)cc(C(=O)[O-])c3F)oc21 ZINC001599693657 991113123 /nfs/dbraw/zinc/11/31/23/991113123.db2.gz ZIGOMAGFERSOLC-UHFFFAOYSA-N -1 0 347.273 3.670 20 0 EHADRM COc1ccccc1-c1ccc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])s1 ZINC001599693891 991116439 /nfs/dbraw/zinc/11/64/39/991116439.db2.gz PJHAAJGYIYGSIG-ZDUSSCGKSA-N -1 0 347.436 3.653 20 0 EHADRM COc1ccccc1-c1nc(COc2ccc(C(=O)[O-])cc2)co1 ZINC001599694811 991131332 /nfs/dbraw/zinc/13/13/32/991131332.db2.gz ABMVDVVDMRJABB-UHFFFAOYSA-N -1 0 325.320 3.627 20 0 EHADRM CC(C)[C@H](CC1CCCCC1)C(=O)NCc1ccnc(C(=O)[O-])c1 ZINC001590981540 991141917 /nfs/dbraw/zinc/14/19/17/991141917.db2.gz WJEVYIIJECEWFA-INIZCTEOSA-N -1 0 332.444 3.639 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)CCSc1ccccc1 ZINC001598293797 991211949 /nfs/dbraw/zinc/21/19/49/991211949.db2.gz QDRILSIXUDUICK-UHFFFAOYSA-N -1 0 344.436 3.572 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC001598298638 991235579 /nfs/dbraw/zinc/23/55/79/991235579.db2.gz PBNHVBSYLUSQIH-KCQAQPDRSA-N -1 0 345.443 3.541 20 0 EHADRM COc1ccccc1C1(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)CC1 ZINC001599702993 991248804 /nfs/dbraw/zinc/24/88/04/991248804.db2.gz XHTMJQGZYBUYHP-UHFFFAOYSA-N -1 0 345.782 3.717 20 0 EHADRM COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cc(C)sc1C(=O)[O-] ZINC001599719122 991506612 /nfs/dbraw/zinc/50/66/12/991506612.db2.gz RKRHGPRAJSBCLK-NWDGAFQWSA-N -1 0 331.393 3.506 20 0 EHADRM CC(C)[C@@]1(C)C[C@H]1NC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001591062493 991508884 /nfs/dbraw/zinc/50/88/84/991508884.db2.gz WNEFORKYFKRFDE-RHSMWYFYSA-N -1 0 336.457 3.561 20 0 EHADRM CC(C)[C@H]1CCC[C@H](NC(=O)N2CCC(CCC(=O)[O-])CC2)CC1 ZINC001591081721 991593998 /nfs/dbraw/zinc/59/39/98/991593998.db2.gz KOJGQAMICAKBIP-IRXDYDNUSA-N -1 0 338.492 3.878 20 0 EHADRM CC(C)[C@H]1CCC[C@H](NC(=O)NCc2ccc(C(=O)[O-])cc2F)C1 ZINC001591082764 991600612 /nfs/dbraw/zinc/60/06/12/991600612.db2.gz XNDRCZTWZBGIAC-WFASDCNBSA-N -1 0 336.407 3.538 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cn2)c2ccccc21 ZINC001591093452 991658642 /nfs/dbraw/zinc/65/86/42/991658642.db2.gz VDJWAGUFQJMYSQ-AWEZNQCLSA-N -1 0 325.368 3.572 20 0 EHADRM CC(C)[C@@H]1N(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CC12CCC2 ZINC001591098789 991705208 /nfs/dbraw/zinc/70/52/08/991705208.db2.gz IVOZTTKDJUIWAX-AWEZNQCLSA-N -1 0 338.354 3.705 20 0 EHADRM CC(C)C[C@H](C(=O)N1CC2CC1(C(=O)[O-])C2)c1ccc(Cl)cc1 ZINC001591118606 991785060 /nfs/dbraw/zinc/78/50/60/991785060.db2.gz VWYSREOJUCORCG-KVIBHRHWSA-N -1 0 335.831 3.545 20 0 EHADRM CC(C)C[C@@H](C)CC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001591132676 991830405 /nfs/dbraw/zinc/83/04/05/991830405.db2.gz CLQHXIRATMMMCK-MEBBXXQBSA-N -1 0 329.799 3.793 20 0 EHADRM CC(C)C[C@@H](CNC(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1)C(=O)[O-] ZINC001591153614 991897628 /nfs/dbraw/zinc/89/76/28/991897628.db2.gz HOQNVNNLYIJPBI-AWEZNQCLSA-N -1 0 344.455 3.942 20 0 EHADRM CC(C)C[C@H](NC(=O)Nc1cccc(C(=O)[O-])n1)c1ccccc1 ZINC001591178094 991974026 /nfs/dbraw/zinc/97/40/26/991974026.db2.gz MIPGTDCFKUHPBU-HNNXBMFYSA-N -1 0 327.384 3.689 20 0 EHADRM CC(C)C[C@@H](NC(=O)Nc1cccc(C(=O)[O-])n1)c1ccccc1 ZINC001591178095 991974406 /nfs/dbraw/zinc/97/44/06/991974406.db2.gz MIPGTDCFKUHPBU-OAHLLOKOSA-N -1 0 327.384 3.689 20 0 EHADRM CC(C)CC1(c2nc(COc3cccc(C(=O)[O-])c3)no2)CCC1 ZINC001591198192 992024538 /nfs/dbraw/zinc/02/45/38/992024538.db2.gz ZORKTSIELWXGNF-UHFFFAOYSA-N -1 0 330.384 3.815 20 0 EHADRM CC(C)C[C@H]1CCCCCN1C(=O)NCc1ccccc1CC(=O)[O-] ZINC001591206296 992033110 /nfs/dbraw/zinc/03/31/10/992033110.db2.gz QCVHAWVQZXNUKY-GOSISDBHSA-N -1 0 346.471 3.814 20 0 EHADRM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001591220753 992082125 /nfs/dbraw/zinc/08/21/25/992082125.db2.gz CAQLOSWXTQAJRM-GXTWGEPZSA-N -1 0 338.473 3.850 20 0 EHADRM CC(C)CCN(CCC(C)C)C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001591245524 992137564 /nfs/dbraw/zinc/13/75/64/992137564.db2.gz UOLOIOUCSJGXQC-TWMKSMIVSA-N -1 0 338.492 3.590 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)NCc2ccoc2C(=O)[O-])cc1 ZINC001591260798 992170937 /nfs/dbraw/zinc/17/09/37/992170937.db2.gz PVGCKKBCZUXGRT-UHFFFAOYSA-N -1 0 346.383 3.724 20 0 EHADRM CC(C)CCc1ccc(NC(=O)CCc2ocnc2C(=O)[O-])cc1 ZINC001591266489 992180567 /nfs/dbraw/zinc/18/05/67/992180567.db2.gz IJYIDNGVKRWQFF-UHFFFAOYSA-N -1 0 330.384 3.533 20 0 EHADRM CC(C)CCSCC(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-] ZINC001591266962 992184546 /nfs/dbraw/zinc/18/45/46/992184546.db2.gz ZLRCURYGEOOIDO-UHFFFAOYSA-N -1 0 333.812 3.895 20 0 EHADRM O=C(NC(c1ccc(F)cc1)c1ccc(F)cc1)c1cncc(O)c1 ZINC000339814439 1015697765 /nfs/dbraw/zinc/69/77/65/1015697765.db2.gz PIHMGKDAQLBCRJ-UHFFFAOYSA-N -1 0 340.329 3.585 20 0 EHADRM CC(C)C[N@H+](Cc1ccc(C(=O)[O-])o1)[C@@H]1CCCc2cccnc21 ZINC001591342752 992321409 /nfs/dbraw/zinc/32/14/09/992321409.db2.gz INZREHDKZVGRBQ-MRXNPFEDSA-N -1 0 328.412 3.908 20 0 EHADRM CC(C)CN(CCc1ccccc1)C(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC001591343102 992322989 /nfs/dbraw/zinc/32/29/89/992322989.db2.gz QDHGIHQIMPZTEN-UHFFFAOYSA-N -1 0 343.467 3.749 20 0 EHADRM CC(C)CN(Cc1ccc(F)c(Cl)c1)c1cncc(C(=O)[O-])n1 ZINC001591343949 992327749 /nfs/dbraw/zinc/32/77/49/992327749.db2.gz JLDWLZYWHXOLQG-UHFFFAOYSA-N -1 0 337.782 3.630 20 0 EHADRM CS[C@@H](C(=O)N1CCCc2ccc(C(=O)[O-])cc21)c1ccccc1 ZINC001599780786 992361472 /nfs/dbraw/zinc/36/14/72/992361472.db2.gz LYNNFUGPRGVKNH-QGZVFWFLSA-N -1 0 341.432 3.768 20 0 EHADRM CS[C@H](C(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-])c1ccccc1 ZINC001599780799 992361650 /nfs/dbraw/zinc/36/16/50/992361650.db2.gz MPLMJZZKVIKMRB-PBHICJAKSA-N -1 0 343.448 3.593 20 0 EHADRM CN(CCOc1ccc(/C=C/C(=O)[O-])cc1)c1c(F)cccc1F ZINC001598498792 992400460 /nfs/dbraw/zinc/40/04/60/992400460.db2.gz PENQNXIONCBPDV-JXMROGBWSA-N -1 0 333.334 3.578 20 0 EHADRM CC(C)COCCCNC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001591389448 992437618 /nfs/dbraw/zinc/43/76/18/992437618.db2.gz BYTBABPVRPKDBK-UHFFFAOYSA-N -1 0 344.411 3.722 20 0 EHADRM CC(C)COCCC(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1 ZINC001591390063 992439681 /nfs/dbraw/zinc/43/96/81/992439681.db2.gz LAAUHUGUHYPYAS-UHFFFAOYSA-N -1 0 340.445 3.500 20 0 EHADRM CC(C)COc1ccc(OC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001591401739 992477110 /nfs/dbraw/zinc/47/71/10/992477110.db2.gz QGSYORKURWYQKI-UHFFFAOYSA-N -1 0 332.327 3.778 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC001591422942 992505071 /nfs/dbraw/zinc/50/50/71/992505071.db2.gz RHTIUQNQYPVTFN-FZMZJTMJSA-N -1 0 345.361 3.767 20 0 EHADRM CN(Cc1cc(C(=O)[O-])n(C)c1)Cc1cccc(Cl)c1Cl ZINC001598506565 992510640 /nfs/dbraw/zinc/51/06/40/992510640.db2.gz FQRFCVKKFMRCAD-UHFFFAOYSA-N -1 0 327.211 3.662 20 0 EHADRM CC(C)C[C@H](Nc1nc2c(cccc2Br)s1)C(=O)[O-] ZINC001591471627 992585507 /nfs/dbraw/zinc/58/55/07/992585507.db2.gz CIXVMGKIZKEOKW-VIFPVBQESA-N -1 0 343.246 3.970 20 0 EHADRM CC(C)Cc1ccccc1CN1CCOc2ccccc2[C@@H]1C(=O)[O-] ZINC001591490824 992624277 /nfs/dbraw/zinc/62/42/77/992624277.db2.gz IALCMZLMHYYZPE-HXUWFJFHSA-N -1 0 339.435 3.905 20 0 EHADRM CC(C)Cc1ncc(CN2C[C@H](C(=O)[O-])Cc3ccccc32)s1 ZINC001591496983 992630975 /nfs/dbraw/zinc/63/09/75/992630975.db2.gz PNIRVAMFGWARFQ-CQSZACIVSA-N -1 0 330.453 3.605 20 0 EHADRM CC(C)Cn1cc(C(=O)N2CC[C@@H](C)C[C@H]2C(=O)[O-])c2ccccc21 ZINC001591520097 992686022 /nfs/dbraw/zinc/68/60/22/992686022.db2.gz FBSIFHRGGINPRD-KDOFPFPSSA-N -1 0 342.439 3.623 20 0 EHADRM CC(C)Cn1ccc2c1cccc2C(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC001591521691 992692206 /nfs/dbraw/zinc/69/22/06/992692206.db2.gz PQAKXDCSFGNFLF-HUUCEWRRSA-N -1 0 342.439 3.623 20 0 EHADRM CN(Cc1ccc2ccccc2c1)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001598524857 992706781 /nfs/dbraw/zinc/70/67/81/992706781.db2.gz WJBAXIJLQZBWTB-PKNBQFBNSA-N -1 0 335.359 3.803 20 0 EHADRM CC(C)Cn1ncc(NCc2ccc(/C=C\C(=O)[O-])o2)c1C(C)C ZINC001591533896 992713592 /nfs/dbraw/zinc/71/35/92/992713592.db2.gz QBOXRYLVBRUGSI-FPLPWBNLSA-N -1 0 331.416 3.965 20 0 EHADRM CN(CC(=O)Nc1cc(Cl)c([O-])c(Cl)c1)C(=O)OC(C)(C)C ZINC000154676594 1015747820 /nfs/dbraw/zinc/74/78/20/1015747820.db2.gz HMYPZNKGDALDOJ-UHFFFAOYSA-N -1 0 349.214 3.504 20 0 EHADRM CC(C)(C)n1cc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cn1 ZINC000154677384 1015756678 /nfs/dbraw/zinc/75/66/78/1015756678.db2.gz XQRLDUGDQYCMLZ-UHFFFAOYSA-N -1 0 328.199 3.903 20 0 EHADRM COc1ccc(N(C)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1F ZINC001599582544 993570957 /nfs/dbraw/zinc/57/09/57/993570957.db2.gz CEBXXASRWCAQKV-UHFFFAOYSA-N -1 0 332.331 3.509 20 0 EHADRM CC(C)[C@@H]1CCCCCN1C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001593062472 993577107 /nfs/dbraw/zinc/57/71/07/993577107.db2.gz IXPGWVXCOTZIJG-RYUDHWBXSA-N -1 0 339.461 3.513 20 0 EHADRM COc1ccc(NC(=O)/C=C/c2cc(C)c(C)cc2C)c(C(=O)[O-])c1 ZINC001599589831 993663968 /nfs/dbraw/zinc/66/39/68/993663968.db2.gz JXHOCOPHBXOEGB-VMPITWQZSA-N -1 0 339.391 3.971 20 0 EHADRM C[C@H](NC(=O)NC[C@H](CC(=O)[O-])C1CC1)c1csc2ccccc21 ZINC001593082127 993668019 /nfs/dbraw/zinc/66/80/19/993668019.db2.gz MEMAAQXSTVGZBJ-AAEUAGOBSA-N -1 0 346.452 3.762 20 0 EHADRM C[C@@H](NC(=O)NCC(C)(C)CC(=O)[O-])c1csc2ccccc21 ZINC001593082645 993673214 /nfs/dbraw/zinc/67/32/14/993673214.db2.gz NYIXTPLOGUTVSH-LLVKDONJSA-N -1 0 334.441 3.762 20 0 EHADRM C[C@@H](NC(=O)N[C@H]1CC=C(C(=O)[O-])C1)c1ccc(F)c2ccccc21 ZINC001593083604 993682849 /nfs/dbraw/zinc/68/28/49/993682849.db2.gz OUULZIKVXQBPQK-YPMHNXCESA-N -1 0 342.370 3.513 20 0 EHADRM C[C@H](NC(=O)Nc1cc(C(=O)[O-])ccc1F)c1c(F)cccc1F ZINC001593109510 993774643 /nfs/dbraw/zinc/77/46/43/993774643.db2.gz NAFJZKYCEOLPMT-QMMMGPOBSA-N -1 0 338.285 3.685 20 0 EHADRM COc1ccc(OC(=O)/C=C\c2ccc(C(=O)[O-])o2)c(C(C)(C)C)c1 ZINC001599599916 993801560 /nfs/dbraw/zinc/80/15/60/993801560.db2.gz WIVLCMLRTZGCMT-YFHOEESVSA-N -1 0 344.363 3.903 20 0 EHADRM COc1ccc(OC(=O)c2ccc(/C=C/C(=O)[O-])o2)c2ccccc12 ZINC001599600876 993813490 /nfs/dbraw/zinc/81/34/90/993813490.db2.gz TXOBMFYLGUSOMC-YRNVUSSQSA-N -1 0 338.315 3.758 20 0 EHADRM C[C@H](NC(=O)OCC1CCCCC1)c1ccc(OCC(=O)[O-])cc1 ZINC001593135957 993904298 /nfs/dbraw/zinc/90/42/98/993904298.db2.gz WHSAIUYNFRSMSN-ZDUSSCGKSA-N -1 0 335.400 3.518 20 0 EHADRM C[C@H](NC(=O)[C@]1(C)CC[C@H](C)C1(C)C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593140887 993924879 /nfs/dbraw/zinc/92/48/79/993924879.db2.gz RWPZMWVUACVDPI-WLNNIECUSA-N -1 0 345.483 3.897 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccc2ncsc2c1 ZINC001593155527 993969228 /nfs/dbraw/zinc/96/92/28/993969228.db2.gz DNQKDGWCVHSOCN-VIFPVBQESA-N -1 0 344.367 3.625 20 0 EHADRM C[C@@H](NC(=O)c1ccccc1C(=O)[O-])c1ncc(-c2ccccc2)o1 ZINC001593178925 994059089 /nfs/dbraw/zinc/05/90/89/994059089.db2.gz JJETVTPHRJCEOY-GFCCVEGCSA-N -1 0 336.347 3.531 20 0 EHADRM C[C@H](NC(=O)c1ccccc1C(=O)[O-])c1ccc(-c2ccncc2)cc1 ZINC001593179163 994060898 /nfs/dbraw/zinc/06/08/98/994060898.db2.gz MZFICUQCEYHRKO-AWEZNQCLSA-N -1 0 346.386 3.938 20 0 EHADRM C[C@H](NC(=O)c1ccsc1C(=O)[O-])c1ccc(OC(F)F)cc1 ZINC001593183692 994081240 /nfs/dbraw/zinc/08/12/40/994081240.db2.gz LWLBBAWFWKTUNC-QMMMGPOBSA-N -1 0 341.335 3.539 20 0 EHADRM COc1ccc2[nH]c(-c3nc(-c4cccc(C(=O)[O-])c4)no3)cc2c1 ZINC001599622753 994106681 /nfs/dbraw/zinc/10/66/81/994106681.db2.gz DLNRLXFUAONIGF-UHFFFAOYSA-N -1 0 335.319 3.592 20 0 EHADRM COc1ccc2c(c1)C[C@@H](Nc1ccc3c(C(=O)[O-])c[nH]c3c1)CC2 ZINC001599625688 994145018 /nfs/dbraw/zinc/14/50/18/994145018.db2.gz CXFACYWPRMYBNS-AWEZNQCLSA-N -1 0 336.391 3.844 20 0 EHADRM C[C@H](N[C@@H](C(=O)[O-])c1ccsc1)c1nc(C(F)(F)F)cs1 ZINC001593196105 994151899 /nfs/dbraw/zinc/15/18/99/994151899.db2.gz ULHKEQXKVXWSKF-IMTBSYHQSA-N -1 0 336.360 3.700 20 0 EHADRM C[C@H](N[C@H](C(=O)[O-])c1ccsc1)c1nc(C(F)(F)F)cs1 ZINC001593196107 994152005 /nfs/dbraw/zinc/15/20/05/994152005.db2.gz ULHKEQXKVXWSKF-RCOVLWMOSA-N -1 0 336.360 3.700 20 0 EHADRM COc1ccc2c(c1)CC[C@H](C(=O)Nc1scc(C)c1C(=O)[O-])C2 ZINC001599626847 994161201 /nfs/dbraw/zinc/16/12/01/994161201.db2.gz MQYFESSOUZMTFP-ZDUSSCGKSA-N -1 0 345.420 3.507 20 0 EHADRM C[C@@H](N[C@@H](C)c1ccccc1OCC(=O)[O-])c1c(F)cccc1F ZINC001593198192 994169147 /nfs/dbraw/zinc/16/91/47/994169147.db2.gz ODQNSYWZCUQLAN-NWDGAFQWSA-N -1 0 335.350 3.840 20 0 EHADRM C[C@H](N[C@@H](C)c1ccc(OCC2CC2)c(F)c1)c1nc(C(=O)[O-])co1 ZINC001593203765 994190476 /nfs/dbraw/zinc/19/04/76/994190476.db2.gz HKLAPMNCGPOSOD-QWRGUYRKSA-N -1 0 348.374 3.713 20 0 EHADRM COc1ccc2c(c1)N(Cc1ccc(C(=O)[O-])c(Cl)c1)C[C@@H](C)O2 ZINC001599629555 994196919 /nfs/dbraw/zinc/19/69/19/994196919.db2.gz FKBBYMDRRBGBRF-LLVKDONJSA-N -1 0 347.798 3.834 20 0 EHADRM C[C@@H](N[C@H](C)c1nc2ccccc2s1)c1ncc(C(=O)[O-])s1 ZINC001593204282 994199565 /nfs/dbraw/zinc/19/95/65/994199565.db2.gz PBARDQLXFRCFEZ-RKDXNWHRSA-N -1 0 333.438 3.863 20 0 EHADRM COc1ccc2cc(C(=O)Nc3sc(C)cc3C(=O)[O-])cnc2c1 ZINC001599635031 994274882 /nfs/dbraw/zinc/27/48/82/994274882.db2.gz JSHMKCCKHZGOSR-UHFFFAOYSA-N -1 0 342.376 3.564 20 0 EHADRM COc1ccc2cc([C@H](C)C(=O)OCCCCC(=O)[O-])ccc2c1 ZINC001599636757 994299411 /nfs/dbraw/zinc/29/94/11/994299411.db2.gz UWHISLSEQRJHSB-ZDUSSCGKSA-N -1 0 330.380 3.750 20 0 EHADRM COc1cccc([C@H](C(=O)[O-])N2CCc3sc(Cl)cc3C2)c1 ZINC001599651923 994518920 /nfs/dbraw/zinc/51/89/20/994518920.db2.gz ZPRYXZRFAJLLTC-OAHLLOKOSA-N -1 0 337.828 3.594 20 0 EHADRM COc1ccc(N(C)C(=O)c2cc(F)c(F)c([O-])c2F)cc1Cl ZINC000180154352 1015877204 /nfs/dbraw/zinc/87/72/04/1015877204.db2.gz CANOLQJCXDYEKP-UHFFFAOYSA-N -1 0 345.704 3.748 20 0 EHADRM C[C@@H](NCc1cc(C(=O)[O-])co1)c1ccc(C(F)(F)F)nc1Cl ZINC001593289100 994662162 /nfs/dbraw/zinc/66/21/62/994662162.db2.gz PNPYZUIWVRDKCK-SSDOTTSWSA-N -1 0 348.708 3.896 20 0 EHADRM C[C@H](NCc1cc(C(=O)[O-])no1)c1cccc(SC(F)(F)F)c1 ZINC001593289523 994663358 /nfs/dbraw/zinc/66/33/58/994663358.db2.gz SRAWSXZKOWECQV-QMMMGPOBSA-N -1 0 346.330 3.836 20 0 EHADRM COc1cccc(CC(=O)Nc2cc(C)sc2C(=O)[O-])c1Cl ZINC001599663996 994700543 /nfs/dbraw/zinc/70/05/43/994700543.db2.gz CLEDEYNRYNWNFY-UHFFFAOYSA-N -1 0 339.800 3.598 20 0 EHADRM C[C@H](NCc1ccc(OC(C)(C)C)cc1)c1ncc(C(=O)[O-])s1 ZINC001593297841 994706331 /nfs/dbraw/zinc/70/63/31/994706331.db2.gz AJKZMRWADDOEMB-NSHDSACASA-N -1 0 334.441 3.869 20 0 EHADRM COc1cccc(C[C@@H](C)CC(=O)Nc2ccc(C(=O)[O-])s2)c1 ZINC001599665865 994728694 /nfs/dbraw/zinc/72/86/94/994728694.db2.gz LKAZPQPRHRKHHH-LLVKDONJSA-N -1 0 333.409 3.662 20 0 EHADRM CNc1ccc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c(Cl)c1 ZINC001598679007 994896256 /nfs/dbraw/zinc/89/62/56/994896256.db2.gz ZMVOKZARKKMWJW-BDJLRTHQSA-N -1 0 346.814 3.574 20 0 EHADRM COc1cccc(NC(=O)C[C@H](C)Nc2cc(C)cc(C(=O)[O-])c2)c1 ZINC001599678875 994944804 /nfs/dbraw/zinc/94/48/04/994944804.db2.gz PICZJCULCFFNSG-ZDUSSCGKSA-N -1 0 342.395 3.531 20 0 EHADRM C[C@@H](Nc1ccc(C(=O)NC(C)(C)C)cc1)c1ncc(C(=O)[O-])s1 ZINC001593360065 995021679 /nfs/dbraw/zinc/02/16/79/995021679.db2.gz OEIIARXYMKGMTB-SNVBAGLBSA-N -1 0 347.440 3.543 20 0 EHADRM C[C@H](Nc1ccc2oc(N(C)C)nc2c1)c1cc(C(=O)[O-])cs1 ZINC001593365825 995044173 /nfs/dbraw/zinc/04/41/73/995044173.db2.gz KXGJBDHOMOKIEA-VIFPVBQESA-N -1 0 331.397 3.827 20 0 EHADRM C[C@H](Nc1cccc(N2CCCCC2=O)c1)c1cc(C(=O)[O-])co1 ZINC001593366035 995046605 /nfs/dbraw/zinc/04/66/05/995046605.db2.gz PBXBVPAMWAFALZ-LBPRGKRZSA-N -1 0 328.368 3.668 20 0 EHADRM C[C@H](Nc1nc(C2CCCC2)ns1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593373316 995065522 /nfs/dbraw/zinc/06/55/22/995065522.db2.gz BAEGXZAPKRZRTN-WFASDCNBSA-N -1 0 345.468 3.940 20 0 EHADRM C[C@H](Nc1nc2ccccc2n1C1CC1)c1ncc(C(=O)[O-])s1 ZINC001593374320 995072912 /nfs/dbraw/zinc/07/29/12/995072912.db2.gz RCOKYTBMIRAYGP-VIFPVBQESA-N -1 0 328.397 3.699 20 0 EHADRM C[C@@H](OC(=O)CCCOc1ccc(F)cc1)c1cc(C(=O)[O-])co1 ZINC001593513601 995524885 /nfs/dbraw/zinc/52/48/85/995524885.db2.gz CMTNXDIKPNCAOY-LLVKDONJSA-N -1 0 336.315 3.580 20 0 EHADRM C[C@@H](OC(=O)CCCCC(=O)[O-])c1nc2ccccc2n1C(F)F ZINC001593514993 995535600 /nfs/dbraw/zinc/53/56/00/995535600.db2.gz KSQSULVRKQVUIW-SNVBAGLBSA-N -1 0 340.326 3.681 20 0 EHADRM C[C@@H](OC(=O)CCCC(=O)c1ccccc1)c1ccc(C(=O)[O-])o1 ZINC001593516075 995544849 /nfs/dbraw/zinc/54/48/49/995544849.db2.gz RBCBVZXCNRNDSQ-GFCCVEGCSA-N -1 0 330.336 3.635 20 0 EHADRM C[C@@H](OC(=O)/C=C/c1ccc2ccccc2n1)c1ccc(C(=O)[O-])o1 ZINC001593517921 995558843 /nfs/dbraw/zinc/55/88/43/995558843.db2.gz YNQFERHOIFHJLY-JATZPVMKSA-N -1 0 337.331 3.844 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccccc2OC(F)F)c1F ZINC000180468398 1015955239 /nfs/dbraw/zinc/95/52/39/1015955239.db2.gz MOXLIFSHLCANOG-UHFFFAOYSA-N -1 0 331.315 3.536 20 0 EHADRM C[C@H](OC(=O)Cc1ccc(C(C)(C)C)cc1)c1nc(C(=O)[O-])co1 ZINC001593534552 995590322 /nfs/dbraw/zinc/59/03/22/995590322.db2.gz CKDJBZFFHHIBQW-NSHDSACASA-N -1 0 331.368 3.517 20 0 EHADRM C[C@H](OC(=O)Cc1coc(-c2cccs2)n1)c1cc(C(=O)[O-])co1 ZINC001593537892 995605795 /nfs/dbraw/zinc/60/57/95/995605795.db2.gz ZWVVJAGGPOCPPF-VIFPVBQESA-N -1 0 347.348 3.541 20 0 EHADRM C[C@@H](OC(=O)c1ccc(OC2CCCC2)nc1)c1cc(C(=O)[O-])co1 ZINC001593584775 995698795 /nfs/dbraw/zinc/69/87/95/995698795.db2.gz ISNYSFPOJFJVOD-LLVKDONJSA-N -1 0 345.351 3.612 20 0 EHADRM C[C@@H](OC(=O)c1ccccc1-c1ccccc1C(=O)[O-])c1cnccn1 ZINC001593593471 995727683 /nfs/dbraw/zinc/72/76/83/995727683.db2.gz POUBOFPVXIAUNL-CYBMUJFWSA-N -1 0 348.358 3.760 20 0 EHADRM C[C@H](OC1CCCCC1)C(=O)Nc1cccc(C(=O)[O-])c1Cl ZINC001593603669 995771887 /nfs/dbraw/zinc/77/18/87/995771887.db2.gz ZCDGEWSMKQVMFT-JTQLQIEISA-N -1 0 325.792 3.715 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)O[C@@H](C(=O)[O-])c1ccsc1 ZINC001593604469 995777209 /nfs/dbraw/zinc/77/72/09/995777209.db2.gz QQMNLDNOHDZPRV-SMDDNHRTSA-N -1 0 326.414 3.545 20 0 EHADRM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001593611478 995808220 /nfs/dbraw/zinc/80/82/20/995808220.db2.gz CCPCKVVCDANTBF-FMKPAKJESA-N -1 0 347.455 3.511 20 0 EHADRM C[C@H](Oc1ccc(CN2CCCCC[C@H]2C(F)(F)F)cc1)C(=O)[O-] ZINC001593615684 995837342 /nfs/dbraw/zinc/83/73/42/995837342.db2.gz OTDYNOJKPWAQMT-WFASDCNBSA-N -1 0 345.361 3.845 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)c2ccccc2Cl)cc1F)C(=O)[O-] ZINC001593634648 995926956 /nfs/dbraw/zinc/92/69/56/995926956.db2.gz XEVPCKMAAMWDTI-VIFPVBQESA-N -1 0 337.734 3.583 20 0 EHADRM C[C@@H](Oc1ccccc1)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001593640998 995948355 /nfs/dbraw/zinc/94/83/55/995948355.db2.gz VCNNCMNLMVRZQS-SECBINFHSA-N -1 0 337.734 3.583 20 0 EHADRM C[C@@H](SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC001593659695 996035957 /nfs/dbraw/zinc/03/59/57/996035957.db2.gz WDNHARBPPJOTTB-ZCFIWIBFSA-N -1 0 341.738 3.504 20 0 EHADRM C[C@@H](SCc1cccc(C(=O)[O-])n1)c1nccn1-c1ccccc1 ZINC001593661479 996037811 /nfs/dbraw/zinc/03/78/11/996037811.db2.gz CIRDGTJOKZOXHW-CYBMUJFWSA-N -1 0 339.420 3.960 20 0 EHADRM C[C@H](SCc1ccc(C(=O)[O-])c2cccnc12)C(=O)OC(C)(C)C ZINC001593661636 996039029 /nfs/dbraw/zinc/03/90/29/996039029.db2.gz JRLSHEMLNRZMFU-NSHDSACASA-N -1 0 347.436 3.896 20 0 EHADRM C[C@H](SCCn1cc(C(=O)[O-])nn1)c1ccc(Cl)c(Cl)c1 ZINC001593662051 996041265 /nfs/dbraw/zinc/04/12/65/996041265.db2.gz XBKCKOJYURCZBP-QMMMGPOBSA-N -1 0 346.239 3.778 20 0 EHADRM CC(C)n1ncc2cc(CS[C@@H](C)c3nc(C(=O)[O-])co3)cnc21 ZINC001593662805 996043144 /nfs/dbraw/zinc/04/31/44/996043144.db2.gz GCJINTHBIXYEGP-JTQLQIEISA-N -1 0 346.412 3.693 20 0 EHADRM C[C@H](SCc1ccccc1C(=O)[O-])C(=O)N(C)Cc1ccccc1 ZINC001593663809 996046472 /nfs/dbraw/zinc/04/64/72/996046472.db2.gz SPLUJCWNEVNZHM-AWEZNQCLSA-N -1 0 343.448 3.665 20 0 EHADRM C[C@@H](Sc1ccccc1-c1nnc(Cc2ccsc2)o1)C(=O)[O-] ZINC001593667831 996060369 /nfs/dbraw/zinc/06/03/69/996060369.db2.gz HZMYRIZEZHASEU-SNVBAGLBSA-N -1 0 346.433 3.954 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)Oc1cc(F)cc(F)c1)C(=O)[O-] ZINC001593674078 996087529 /nfs/dbraw/zinc/08/75/29/996087529.db2.gz WEJDMHNABGSJLN-SECBINFHSA-N -1 0 338.331 3.749 20 0 EHADRM C[C@@H](Sc1nc2ccc(Cl)cc2o1)C(=O)C(C)(C)C(=O)[O-] ZINC001593680270 996107751 /nfs/dbraw/zinc/10/77/51/996107751.db2.gz YYQIGTHEAOHYMN-SSDOTTSWSA-N -1 0 327.789 3.642 20 0 EHADRM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1cccc(CC(=O)[O-])c1 ZINC001593687893 996128987 /nfs/dbraw/zinc/12/89/87/996128987.db2.gz VJVBGMTVIONHGV-ZDUSSCGKSA-N -1 0 337.375 3.893 20 0 EHADRM C[C@@H](c1ccc(C(=O)[O-])o1)S(=O)(=O)c1ccccc1C(F)(F)F ZINC001593690505 996136325 /nfs/dbraw/zinc/13/63/25/996136325.db2.gz RQJCSJJQFXFGKS-QMMMGPOBSA-N -1 0 348.298 3.532 20 0 EHADRM C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)CCCCC(=O)[O-] ZINC001593693259 996143967 /nfs/dbraw/zinc/14/39/67/996143967.db2.gz LCZFRVGGVPSGTA-LLVKDONJSA-N -1 0 331.334 3.870 20 0 EHADRM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)c1cnc(C(=O)[O-])cn1 ZINC001593694178 996148291 /nfs/dbraw/zinc/14/82/91/996148291.db2.gz RILOQCAAJLEFPY-MRVPVSSYSA-N -1 0 326.183 3.679 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1Cl)N(C)c1ccnc(C(=O)[O-])n1 ZINC001593694526 996150766 /nfs/dbraw/zinc/15/07/66/996150766.db2.gz XKPUTGYXUDRGBY-QMMMGPOBSA-N -1 0 326.183 3.679 20 0 EHADRM C[C@@H](c1ccc(CN2CC(F)(F)C[C@@H]2C(=O)[O-])cc1)C(F)(F)F ZINC001593694702 996152010 /nfs/dbraw/zinc/15/20/10/996152010.db2.gz ZHPDRMVOGLHVLN-JOYOIKCWSA-N -1 0 337.288 3.647 20 0 EHADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001593698752 996166888 /nfs/dbraw/zinc/16/68/88/996166888.db2.gz MSVJXFRVXUGCDH-LLVKDONJSA-N -1 0 347.802 3.587 20 0 EHADRM C[C@@H](c1ccccc1)N(C(=O)c1cc(C(=O)[O-])nn1C)c1ccccc1 ZINC001593705106 996187650 /nfs/dbraw/zinc/18/76/50/996187650.db2.gz GLXTYIYPMRVYKE-AWEZNQCLSA-N -1 0 349.390 3.526 20 0 EHADRM C[C@@H](c1ccccc1)N(C(=O)c1ccc(/C=C\C(=O)[O-])o1)C1CC1 ZINC001593705398 996190280 /nfs/dbraw/zinc/19/02/80/996190280.db2.gz JJYGEELLMATVTE-UKVQZPPCSA-N -1 0 325.364 3.743 20 0 EHADRM C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001593706298 996196228 /nfs/dbraw/zinc/19/62/28/996196228.db2.gz PEPLDHCLLRLRIF-CZUORRHYSA-N -1 0 339.395 3.580 20 0 EHADRM C[C@H](c1nc(C(=O)[O-])co1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC001593726056 996286610 /nfs/dbraw/zinc/28/66/10/996286610.db2.gz YOVALCQJJRIYQQ-LLVKDONJSA-N -1 0 332.787 3.877 20 0 EHADRM C[C@H](c1nc(C(=O)[O-])co1)N1CC=C(c2cccc(Cl)c2)CC1 ZINC001593726090 996286618 /nfs/dbraw/zinc/28/66/18/996286618.db2.gz ZJERREKCMPANEH-LLVKDONJSA-N -1 0 332.787 3.877 20 0 EHADRM C[C@H](c1nc2ccccc2o1)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001593734194 996322494 /nfs/dbraw/zinc/32/24/94/996322494.db2.gz RCQICSCFDRNFCM-LLVKDONJSA-N -1 0 340.354 3.784 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)CCCc1c(F)cccc1F ZINC000655540822 1016026054 /nfs/dbraw/zinc/02/60/54/1016026054.db2.gz NLZZXJDSSYRZKW-ZDUSSCGKSA-N -1 0 339.382 3.533 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2cccc(CC(F)(F)F)c2)C1 ZINC001593771921 996467308 /nfs/dbraw/zinc/46/73/08/996467308.db2.gz ZQJOPHQRZBQEJR-OAHLLOKOSA-N -1 0 344.333 3.510 20 0 EHADRM CC[C@H](C)[C@@H](C)N(C(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C1CC1 ZINC000180756243 1016038629 /nfs/dbraw/zinc/03/86/29/1016038629.db2.gz GPBZDLDMDBDGSU-QWHCGFSZSA-N -1 0 345.418 3.756 20 0 EHADRM CC1(C(=O)[O-])CN(C(=O)CSc2cccc3cccc(Cl)c32)C1 ZINC001593802691 996529559 /nfs/dbraw/zinc/52/95/59/996529559.db2.gz FPKYMAKRGRMQEI-UHFFFAOYSA-N -1 0 349.839 3.518 20 0 EHADRM CC1(C)C(NC(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1(C)C ZINC001593833799 996582974 /nfs/dbraw/zinc/58/29/74/996582974.db2.gz UNPUKRHWGQQBIJ-UHFFFAOYSA-N -1 0 345.443 3.541 20 0 EHADRM CC1(C)CC(CNC(=O)Nc2ccc(C(=O)[O-])cn2)CC(C)(C)C1 ZINC001593853660 996633030 /nfs/dbraw/zinc/63/30/30/996633030.db2.gz NQKJYGBAGCWNFJ-UHFFFAOYSA-N -1 0 333.432 3.754 20 0 EHADRM CC1(C)CC(NC(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)C1 ZINC001593858909 996647726 /nfs/dbraw/zinc/64/77/26/996647726.db2.gz JGGFBBFWLRXJAY-UHFFFAOYSA-N -1 0 342.395 3.613 20 0 EHADRM CC1(C)C[C@@H](O)c2c(OCc3ccccc3C(=O)[O-])cccc2O1 ZINC001593861934 996657373 /nfs/dbraw/zinc/65/73/73/996657373.db2.gz NSYGNYXVPSUAFP-CQSZACIVSA-N -1 0 328.364 3.558 20 0 EHADRM CC1(C)C[C@@H](c2ccccc2)N(C(=O)/C=C/c2cc(C(=O)[O-])co2)C1 ZINC001593863598 996664062 /nfs/dbraw/zinc/66/40/62/996664062.db2.gz KWJSWXDDNSGKGX-IJDCCNJMSA-N -1 0 339.391 3.991 20 0 EHADRM CC1(C)CC[C@@H](C(=O)N[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)C1 ZINC001593870558 996680811 /nfs/dbraw/zinc/68/08/11/996680811.db2.gz GIAUGAQUNHJPOH-YPMHNXCESA-N -1 0 343.345 3.774 20 0 EHADRM CC1(C)CCC(=CC(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC001593871083 996682961 /nfs/dbraw/zinc/68/29/61/996682961.db2.gz MXJFXZXOAQHIKS-INIZCTEOSA-N -1 0 333.403 3.637 20 0 EHADRM CC1(C)CCC(CC(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)CC1 ZINC001593877041 996699236 /nfs/dbraw/zinc/69/92/36/996699236.db2.gz UUJOXQLQPLSXAS-KRWDZBQOSA-N -1 0 331.456 3.795 20 0 EHADRM CC1(C)CCC[C@@](NC(=O)c2cc(F)cc3cccnc32)(C(=O)[O-])C1 ZINC001593892832 996743416 /nfs/dbraw/zinc/74/34/16/996743416.db2.gz SZERPXFLNPUUEF-IBGZPJMESA-N -1 0 344.386 3.527 20 0 EHADRM CC1(C)CCC[C@@H]1N(Cc1ccccc1)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001593903077 996770251 /nfs/dbraw/zinc/77/02/51/996770251.db2.gz HUUSUUVWKKWRGB-ULQDDVLXSA-N -1 0 344.455 3.640 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC001599379111 996803586 /nfs/dbraw/zinc/80/35/86/996803586.db2.gz VAKFGKYKPUXWGB-NWANDNLSSA-N -1 0 332.396 3.905 20 0 EHADRM COc1ccc(C(=O)N[C@]2(C(=O)[O-])CCCC(C)(C)C2)c(Cl)c1 ZINC001599484683 996827016 /nfs/dbraw/zinc/82/70/16/996827016.db2.gz ZAEIHNHRDUUCOG-QGZVFWFLSA-N -1 0 339.819 3.502 20 0 EHADRM COCc1c2ccccc2oc1C(=O)OCc1cc(C(=O)[O-])c(C)o1 ZINC001599279077 996862894 /nfs/dbraw/zinc/86/28/94/996862894.db2.gz RXQSTEGIYLUFRJ-UHFFFAOYSA-N -1 0 344.319 3.536 20 0 EHADRM COc1ccc(C(=O)Nc2cccc(C(=O)[O-])n2)cc1-c1ccccc1 ZINC001599486863 996864939 /nfs/dbraw/zinc/86/49/39/996864939.db2.gz BTVZAQONUACVAL-UHFFFAOYSA-N -1 0 348.358 3.708 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)[C@@H]1c1cccnc1 ZINC001593935383 996909121 /nfs/dbraw/zinc/90/91/21/996909121.db2.gz XYPZXLFVZBPTLO-OAHLLOKOSA-N -1 0 343.358 3.534 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cc(C3CC3)[nH]c2C2CC2)c1 ZINC001599489309 996910014 /nfs/dbraw/zinc/91/00/14/996910014.db2.gz HPGNCDKYMWZDGF-UHFFFAOYSA-N -1 0 340.379 3.729 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cccc3ccsc32)c1F ZINC001599490553 996931535 /nfs/dbraw/zinc/93/15/35/996931535.db2.gz TTXSFJVJLYJMSH-UHFFFAOYSA-N -1 0 345.351 4.000 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cccc3c2CCCCC3)c1 ZINC001599490797 996934886 /nfs/dbraw/zinc/93/48/86/996934886.db2.gz XHLXRWDTXLGJFV-UHFFFAOYSA-N -1 0 339.391 3.915 20 0 EHADRM COCc1cc(NC(=O)N[C@@H](C)c2cccc(C)c2)cc(C(=O)[O-])c1 ZINC001599285811 996976196 /nfs/dbraw/zinc/97/61/96/996976196.db2.gz IISWOBLWXMEMLI-ZDUSSCGKSA-N -1 0 342.395 3.722 20 0 EHADRM COCc1cc(NC(=O)Nc2cccc3[nH]ccc32)cc(C(=O)[O-])c1 ZINC001599288324 997020002 /nfs/dbraw/zinc/02/00/02/997020002.db2.gz DJFFZAYENGKKEC-UHFFFAOYSA-N -1 0 339.351 3.657 20 0 EHADRM COc1cc(C)c(NCc2ccc(O[C@H](C)C(=O)[O-])cc2)cc1C ZINC001599393981 997089738 /nfs/dbraw/zinc/08/97/38/997089738.db2.gz SJGHDUNKMTXONU-CQSZACIVSA-N -1 0 329.396 3.776 20 0 EHADRM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000683313602 1016091231 /nfs/dbraw/zinc/09/12/31/1016091231.db2.gz TWKGMXZOBWNHRA-QMMMGPOBSA-N -1 0 336.775 3.775 20 0 EHADRM COc1cc(C)ccc1C(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC001599394676 997102657 /nfs/dbraw/zinc/10/26/57/997102657.db2.gz VSDIVOOVHSDEQR-IBGZPJMESA-N -1 0 349.386 3.713 20 0 EHADRM CC1(C)Cc2occc2[C@H](NCc2ccc(Cl)c(C(=O)[O-])n2)C1 ZINC001593968209 997117187 /nfs/dbraw/zinc/11/71/87/997117187.db2.gz CLNJYKFDWJOGBA-CYBMUJFWSA-N -1 0 334.803 3.830 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)/C=C(/C)c1cccs1 ZINC001599398342 997170168 /nfs/dbraw/zinc/17/01/68/997170168.db2.gz ZKAFXSDARZNBQP-CQSVFKTNSA-N -1 0 344.388 3.863 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)C1CCC(C)(C)CC1 ZINC001599398510 997171970 /nfs/dbraw/zinc/17/19/70/997171970.db2.gz HQSBOMJZHIILHE-ALCCZGGFSA-N -1 0 332.396 3.915 20 0 EHADRM COc1ccc(C(C)(C)C(=O)OCc2cc(C(=O)[O-])ccc2C)cc1 ZINC001599504311 997184410 /nfs/dbraw/zinc/18/44/10/997184410.db2.gz DNXAOLQFCVRXPO-UHFFFAOYSA-N -1 0 342.391 3.723 20 0 EHADRM COc1ccc(/C(C)=C/C(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC001599505250 997200763 /nfs/dbraw/zinc/20/07/63/997200763.db2.gz ISSGXVRWULHRPO-WYMLVPIESA-N -1 0 339.391 3.754 20 0 EHADRM COc1ccc(C(=O)Oc2cccc(C(=O)[O-])c2)cc1-c1ccccn1 ZINC001599505805 997209575 /nfs/dbraw/zinc/20/95/75/997209575.db2.gz XFSRCPVMIHKGGU-UHFFFAOYSA-N -1 0 349.342 3.675 20 0 EHADRM COc1ccc([C@@H](C)COc2cc(/C=C\C(=O)[O-])ccc2OC)cc1 ZINC001599507025 997228029 /nfs/dbraw/zinc/22/80/29/997228029.db2.gz GTQOBPDSQAFLJV-RCGFYWBFSA-N -1 0 342.391 3.984 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)CCCCC(C)(C)C)cc1 ZINC001599510415 997287876 /nfs/dbraw/zinc/28/78/76/997287876.db2.gz MNGXCFIDIXBDIT-MRXNPFEDSA-N -1 0 335.444 3.934 20 0 EHADRM C[C@]1(CC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CC1(Cl)Cl ZINC001593996554 997308685 /nfs/dbraw/zinc/30/86/85/997308685.db2.gz YSOVWGVOBRSBHN-RISCZKNCSA-N -1 0 336.259 3.500 20 0 EHADRM COC[C@@H]1CCCCN1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001599203571 997362050 /nfs/dbraw/zinc/36/20/50/997362050.db2.gz SSTBNZOEICNFIS-ZDUSSCGKSA-N -1 0 348.424 3.632 20 0 EHADRM COC1CCC(CC(=O)OCc2cccc(C(=O)[O-])c2Cl)CC1 ZINC001599100262 997368296 /nfs/dbraw/zinc/36/82/96/997368296.db2.gz QGHQZTSWVTXLIA-UHFFFAOYSA-N -1 0 340.803 3.677 20 0 EHADRM CO[C@@H]1CCC[C@H](C(=O)O[C@@H]2CCCc3cc(C(=O)[O-])ccc32)C1 ZINC001599104212 997444694 /nfs/dbraw/zinc/44/46/94/997444694.db2.gz TUXXWUZGXUWJKA-ZMSDIMECSA-N -1 0 332.396 3.511 20 0 EHADRM CON(Cc1ccc(Cl)cc1)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001599318942 997547194 /nfs/dbraw/zinc/54/71/94/997547194.db2.gz NTFUBNBLQIPBKA-UHFFFAOYSA-N -1 0 348.786 3.942 20 0 EHADRM COc1cc(Cl)c(/C=C/c2ncncc2C(=O)[O-])cc1Cl ZINC001599418696 997556545 /nfs/dbraw/zinc/55/65/45/997556545.db2.gz NGMZHJPIJLGUBV-NSCUHMNNSA-N -1 0 325.151 3.661 20 0 EHADRM CO[C@H]1CCC[C@H](CC(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])C1 ZINC001599111191 997571447 /nfs/dbraw/zinc/57/14/47/997571447.db2.gz BNPRXUHBWNVNBH-RYUDHWBXSA-N -1 0 339.819 3.880 20 0 EHADRM COc1ccc([C@H](NCc2ccsc2C(=O)[O-])C(F)(F)F)cc1 ZINC001599530537 997642350 /nfs/dbraw/zinc/64/23/50/997642350.db2.gz DPSYDTILEYQZGC-ZDUSSCGKSA-N -1 0 345.342 3.848 20 0 EHADRM COCC[C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)c2ccccc21 ZINC001599220793 997664095 /nfs/dbraw/zinc/66/40/95/997664095.db2.gz OWOQICFFFBIRBB-DNVCBOLYSA-N -1 0 325.408 3.843 20 0 EHADRM COc1c2ccccc2[nH]c1C(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001599327901 997696468 /nfs/dbraw/zinc/69/64/68/997696468.db2.gz CFCKTNQQHZLNGF-UHFFFAOYSA-N -1 0 344.392 3.805 20 0 EHADRM COc1cc(NC(=O)CCCCc2ccccc2)ccc1C(=O)[O-] ZINC001599432023 997775450 /nfs/dbraw/zinc/77/54/50/997775450.db2.gz ZWUDTFBJSJTVCZ-UHFFFAOYSA-N -1 0 327.380 3.745 20 0 EHADRM COc1c(C)cccc1CNc1ncc(C(=O)[O-])cc1C(F)(F)F ZINC001599333689 997793223 /nfs/dbraw/zinc/79/32/23/997793223.db2.gz HCPAERDSDGOVDA-UHFFFAOYSA-N -1 0 340.301 3.728 20 0 EHADRM CO[C@@H]1CCN(Cc2sc3ccccc3c2Cl)[C@H](C(=O)[O-])C1 ZINC001599123747 997793947 /nfs/dbraw/zinc/79/39/47/997793947.db2.gz MARRXOMJKXTMDE-PWSUYJOCSA-N -1 0 339.844 3.619 20 0 EHADRM COc1cc(NC(=O)N(C)[C@@H](C)C2CCCCC2)ccc1C(=O)[O-] ZINC001599433523 997802498 /nfs/dbraw/zinc/80/24/98/997802498.db2.gz BFWFZKYSNKEJSP-LBPRGKRZSA-N -1 0 334.416 3.826 20 0 EHADRM COc1c(Cl)cccc1NC(=O)c1ccccc1CCC(=O)[O-] ZINC001599334864 997816969 /nfs/dbraw/zinc/81/69/69/997816969.db2.gz LDVHIKJYMXASJO-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM COC(=O)c1cc(CSCc2ccccc2CC(=O)[O-])cs1 ZINC001598934867 997844596 /nfs/dbraw/zinc/84/45/96/997844596.db2.gz VINMPKDGTUMDNH-UHFFFAOYSA-N -1 0 336.434 3.595 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)C[C@@H]1CCCC[C@@H]1C ZINC001599541383 997848800 /nfs/dbraw/zinc/84/88/00/997848800.db2.gz CNSMBTYYCZKETF-AWGPODSSSA-N -1 0 332.396 3.915 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)c2ccc(N3CCCCC3)cc2)s1 ZINC000471258680 1016165885 /nfs/dbraw/zinc/16/58/85/1016165885.db2.gz KFPULJQHUDFQGE-UHFFFAOYSA-N -1 0 344.484 3.500 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)C12CCC(CC1)C2(C)C ZINC001599541977 997858858 /nfs/dbraw/zinc/85/88/58/997858858.db2.gz HTCSIXMQVSKHGP-ALCCZGGFSA-N -1 0 344.407 3.915 20 0 EHADRM CC1(c2cc(NC(=O)c3ccc(C(=O)[O-])cc3F)no2)CCCC1 ZINC001594069573 997900925 /nfs/dbraw/zinc/90/09/25/997900925.db2.gz HNYZOHXILPEOEL-UHFFFAOYSA-N -1 0 332.331 3.596 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)[C@H]1CCCCC1(C)C ZINC001599545305 997912535 /nfs/dbraw/zinc/91/25/35/997912535.db2.gz XSEYQYOOJNHVPZ-QQBNSCQMSA-N -1 0 332.396 3.915 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1Oc1ncnc2c(C)cccc12 ZINC001599545857 997921642 /nfs/dbraw/zinc/92/16/42/997921642.db2.gz IZDLOZQQRDMVRK-CLFYSBASSA-N -1 0 336.347 3.837 20 0 EHADRM COc1cc(NC(=O)Nc2ccc(C(=O)[O-])cc2OC)c(C)cc1C ZINC001599441498 997936421 /nfs/dbraw/zinc/93/64/21/997936421.db2.gz XRWYZELPIHHDHG-UHFFFAOYSA-N -1 0 344.367 3.663 20 0 EHADRM COc1cc(N[C@H](C)c2cncc(C(=O)[O-])c2)c(OC)cc1Cl ZINC001599443470 997969487 /nfs/dbraw/zinc/96/94/87/997969487.db2.gz TYYXZQNVNUDNJS-SECBINFHSA-N -1 0 336.775 3.624 20 0 EHADRM COc1c(N[C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)ncnc1C(=O)[O-] ZINC001599344029 997969934 /nfs/dbraw/zinc/96/99/34/997969934.db2.gz YUPGDBQMZGZNHI-DGCLKSJQSA-N -1 0 347.802 3.585 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001594079783 997974054 /nfs/dbraw/zinc/97/40/54/997974054.db2.gz SESHVEDEFIOVIL-KRWDZBQOSA-N -1 0 330.409 3.989 20 0 EHADRM COc1cc(NC(=S)Nc2cc(C)ccc2C)ccc1C(=O)[O-] ZINC001599444026 997977057 /nfs/dbraw/zinc/97/70/57/997977057.db2.gz DBEGDRUJWJWCDM-UHFFFAOYSA-N -1 0 330.409 3.819 20 0 EHADRM COc1ccc(C[C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC001599550193 997992965 /nfs/dbraw/zinc/99/29/65/997992965.db2.gz JZCZKNYUMBJLSX-LLVKDONJSA-N -1 0 347.798 3.864 20 0 EHADRM COc1ccc(C[C@H](C)C(=O)Nc2sc(C)c(C)c2C(=O)[O-])cc1 ZINC001599551400 998013850 /nfs/dbraw/zinc/01/38/50/998013850.db2.gz ZOXZOUNNSVQULN-JTQLQIEISA-N -1 0 347.436 3.889 20 0 EHADRM COc1cc(OC(=O)C2(Sc3ccccc3)CC2)ccc1C(=O)[O-] ZINC001599446499 998018433 /nfs/dbraw/zinc/01/84/33/998018433.db2.gz WUNDQKZHJXKUPS-UHFFFAOYSA-N -1 0 344.388 3.624 20 0 EHADRM COc1cc(OC(=O)c2cc3ccccc3s2)ccc1C(=O)[O-] ZINC001599448442 998049476 /nfs/dbraw/zinc/04/94/76/998049476.db2.gz ZBNMLOJSLVDEKJ-UHFFFAOYSA-N -1 0 328.345 3.827 20 0 EHADRM Cc1ccc(N2C(=O)N[C@@H](c3ccccc3)C(C(=O)[O-])=C2C)cc1F ZINC001594097975 998075695 /nfs/dbraw/zinc/07/56/95/998075695.db2.gz LZTGREWPVRSKBQ-KRWDZBQOSA-N -1 0 340.354 3.764 20 0 EHADRM COC(=O)c1cc(OC(=O)CCCCCC(C)C)cc(C(=O)[O-])c1 ZINC001598950387 998140430 /nfs/dbraw/zinc/14/04/30/998140430.db2.gz VLYJMKCUVZZAJS-UHFFFAOYSA-N -1 0 336.384 3.683 20 0 EHADRM COc1cc(OC)cc([C@@H](C)OC(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC001599454807 998169906 /nfs/dbraw/zinc/16/99/06/998169906.db2.gz DEXHEHYUJKNRAX-GFCCVEGCSA-N -1 0 344.363 3.628 20 0 EHADRM COc1cc(OCCOc2ccc(F)cc2Cl)ccc1C(=O)[O-] ZINC001599456780 998201255 /nfs/dbraw/zinc/20/12/55/998201255.db2.gz JIVNEJKNAAVNMC-UHFFFAOYSA-N -1 0 340.734 3.644 20 0 EHADRM CC1=C(C)C[C@@H](C(=O)N[C@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])CC1 ZINC001594110254 998206756 /nfs/dbraw/zinc/20/67/56/998206756.db2.gz SGWUVWRZOJKWMK-HNAYVOBHSA-N -1 0 349.858 3.979 20 0 EHADRM CC1=C(C)C[C@H](C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)CC1 ZINC001594110345 998208576 /nfs/dbraw/zinc/20/85/76/998208576.db2.gz UJVVIEQMKWUTMO-IUODEOHRSA-N -1 0 339.794 3.858 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1O ZINC001599358523 998220097 /nfs/dbraw/zinc/22/00/97/998220097.db2.gz POOJAENNLWOBCZ-FRRDWIJNSA-N -1 0 347.411 3.644 20 0 EHADRM CC1=Nc2ccccc2C12CCN(C(=O)c1ccccc1C(=O)[O-])CC2 ZINC001594120289 998266908 /nfs/dbraw/zinc/26/69/08/998266908.db2.gz CXWYCISRLSSUOJ-UHFFFAOYSA-N -1 0 348.402 3.665 20 0 EHADRM COc1cc(C(=O)[O-])cc(N[C@@H](C)Cc2ccc(F)cc2)c1OC ZINC001599361970 998275313 /nfs/dbraw/zinc/27/53/13/998275313.db2.gz ITSWUPBNBYEBNQ-NSHDSACASA-N -1 0 333.359 3.584 20 0 EHADRM COC(=O)c1cc2cc(N[C@@H]3CC[C@@H](CC(=O)[O-])[C@H]3C)ccc2s1 ZINC001598958175 998282985 /nfs/dbraw/zinc/28/29/85/998282985.db2.gz VJXPGUCFNDXBFQ-UHIISALHSA-N -1 0 347.436 3.989 20 0 EHADRM COc1cc2c(cc1F)ncnc2Nc1ccc(CCC(=O)[O-])cc1 ZINC001599463324 998313888 /nfs/dbraw/zinc/31/38/88/998313888.db2.gz WBXKSQSITTVFIH-UHFFFAOYSA-N -1 0 341.342 3.538 20 0 EHADRM COc1ccc(CNC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c(C)c1 ZINC001599569346 998340334 /nfs/dbraw/zinc/34/03/34/998340334.db2.gz DXFHIMOXSGFHEO-UHFFFAOYSA-N -1 0 342.395 3.640 20 0 EHADRM COc1cc2ccccc2cc1C(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC001599466913 998378799 /nfs/dbraw/zinc/37/87/99/998378799.db2.gz XGGMQOIJVYXRKF-GOSISDBHSA-N -1 0 341.407 3.612 20 0 EHADRM COCCOc1cccc(N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)c1 ZINC001599260771 998381030 /nfs/dbraw/zinc/38/10/30/998381030.db2.gz IGUVPUIEIRIRGI-MRXNPFEDSA-N -1 0 335.787 3.603 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N(C)[C@@H](C)c1ccccc1 ZINC001599369786 998391300 /nfs/dbraw/zinc/39/13/00/998391300.db2.gz BWFLUVMOAWVNFR-LBPRGKRZSA-N -1 0 328.368 3.618 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N(C)[C@H](C)Cc1cccs1 ZINC001599369925 998394139 /nfs/dbraw/zinc/39/41/39/998394139.db2.gz FDAPHZZRTPAHNE-LLVKDONJSA-N -1 0 348.424 3.550 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N1CCCC[C@H]1CC1CCC1 ZINC001599371362 998414495 /nfs/dbraw/zinc/41/44/95/998414495.db2.gz POLULZMGLLZDLB-HNNXBMFYSA-N -1 0 346.427 3.970 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)C(C)(C)c1ccccc1Cl ZINC001599371845 998422900 /nfs/dbraw/zinc/42/29/00/998422900.db2.gz VABXTVJUISTBMF-UHFFFAOYSA-N -1 0 347.798 3.963 20 0 EHADRM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)c1ccc2ccccc2c1 ZINC001598967127 998442451 /nfs/dbraw/zinc/44/24/51/998442451.db2.gz AUNPWGLWSVUQGH-UHFFFAOYSA-N -1 0 349.342 3.577 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1cc2sccc2s1 ZINC001599374083 998459373 /nfs/dbraw/zinc/45/93/73/998459373.db2.gz KQBQQMSPLFCMOG-UHFFFAOYSA-N -1 0 333.390 3.922 20 0 EHADRM COc1ccc(Cl)c2c1N(C(=O)CC(C)(C)CC(=O)[O-])CCC2 ZINC001599577370 998466908 /nfs/dbraw/zinc/46/69/08/998466908.db2.gz QTVLEWQDASTKKC-UHFFFAOYSA-N -1 0 339.819 3.519 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1oc2ccccc2c1C ZINC001599374832 998469810 /nfs/dbraw/zinc/46/98/10/998469810.db2.gz AHVSDNKHNPTTTK-UHFFFAOYSA-N -1 0 325.320 3.700 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C1(c2ccccc2)CCCCCC1 ZINC001594145603 998477253 /nfs/dbraw/zinc/47/72/53/998477253.db2.gz UCQLTPVIKQNRSP-NVXWUHKLSA-N -1 0 329.440 3.600 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001594153477 998547293 /nfs/dbraw/zinc/54/72/93/998547293.db2.gz NFQOKKGBBWZEAA-FXAINCCUSA-N -1 0 348.296 3.586 20 0 EHADRM COC(=O)c1ccc(CSc2nc(C(=O)[O-])cs2)cc1Cl ZINC001598975203 998590872 /nfs/dbraw/zinc/59/08/72/998590872.db2.gz BRXKGSKEVUXJLG-UHFFFAOYSA-N -1 0 343.813 3.574 20 0 EHADRM COC(=O)c1ccc(NCc2cc(Cl)ccc2F)cc1C(=O)[O-] ZINC001598984231 998685806 /nfs/dbraw/zinc/68/58/06/998685806.db2.gz JBGICIQCXDWPCO-UHFFFAOYSA-N -1 0 337.734 3.576 20 0 EHADRM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1C(=O)c1nc(-c2ccccc2)cs1 ZINC001594207633 998801295 /nfs/dbraw/zinc/80/12/95/998801295.db2.gz HGHUUNYNCQNQKZ-VXGBXAGGSA-N -1 0 344.436 3.524 20 0 EHADRM COC(=O)c1ccccc1CSCc1c(OC)cccc1C(=O)[O-] ZINC001599002508 998831267 /nfs/dbraw/zinc/83/12/67/998831267.db2.gz HITXUCOLOOEHRW-UHFFFAOYSA-N -1 0 346.404 3.613 20 0 EHADRM C[C@H]1C[C@H](C(=O)Nc2sc3c(c2C(=O)[O-])CCOC3)C[C@@H](C)C1 ZINC001594222483 998856679 /nfs/dbraw/zinc/85/66/79/998856679.db2.gz DBPZOZFGAGNXOQ-URLYPYJESA-N -1 0 337.441 3.530 20 0 EHADRM C[C@H]1C[C@@H](CCNC(=O)Nc2cc(C(=O)[O-])ccn2)CC(C)(C)C1 ZINC001594233412 998889770 /nfs/dbraw/zinc/88/97/70/998889770.db2.gz VUSDEUIBZTVNEK-QWHCGFSZSA-N -1 0 333.432 3.754 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])C[C@@H](c2ccccc2)C1 ZINC001594252305 998971714 /nfs/dbraw/zinc/97/17/14/998971714.db2.gz DVYMTJSUPWRZSB-BHYGNILZSA-N -1 0 331.456 3.966 20 0 EHADRM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001594278369 999077747 /nfs/dbraw/zinc/07/77/47/999077747.db2.gz NZAWGCPAQFFBGR-MPTQWLOMSA-N -1 0 348.468 3.667 20 0 EHADRM C[C@@H]1CC=C(C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)CC1 ZINC001594291838 999125223 /nfs/dbraw/zinc/12/52/23/999125223.db2.gz ZQCUAFSZRRFIFJ-SECBINFHSA-N -1 0 338.201 3.832 20 0 EHADRM C[C@@H]1CCC(C)(C)N1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001594296856 999144143 /nfs/dbraw/zinc/14/41/43/999144143.db2.gz XOYYIPCHKUWDCJ-GFCCVEGCSA-N -1 0 336.457 3.799 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)Nc2cc3c(cc2C(=O)[O-])OCCCO3)C[C@@H]1C ZINC001594297731 999148781 /nfs/dbraw/zinc/14/87/81/999148781.db2.gz ZNSFUMVABIJVCY-FRRDWIJNSA-N -1 0 347.411 3.557 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)Oc1ccc(C(=O)[O-])cc1 ZINC001594299429 999156305 /nfs/dbraw/zinc/15/63/05/999156305.db2.gz ZPBMJAVJYMKIHP-KBRIMQKVSA-N -1 0 334.412 3.768 20 0 EHADRM CC(C)[C@@H](CNC(=O)CCCc1ccc2ccccc2c1)C(=O)[O-] ZINC000655565244 1016301116 /nfs/dbraw/zinc/30/11/16/1016301116.db2.gz WJYOETCHLIQFBL-GOSISDBHSA-N -1 0 327.424 3.636 20 0 EHADRM COC1(C(=O)Nc2nc(C(C)C)c(C(=O)[O-])s2)CCCCCC1 ZINC001599067198 999306538 /nfs/dbraw/zinc/30/65/38/999306538.db2.gz AGQRFTXMSUIFAA-UHFFFAOYSA-N -1 0 340.445 3.643 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)c1ccc2oc(=O)nc-2[n-]1)C(C)(C)C ZINC000646902062 1016303896 /nfs/dbraw/zinc/30/38/96/1016303896.db2.gz PDZPWOLVWFFMOX-HNNXBMFYSA-N -1 0 339.395 3.754 20 0 EHADRM C[C@@H]1CCC[C@H](OCC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)C1 ZINC001594354445 999339149 /nfs/dbraw/zinc/33/91/49/999339149.db2.gz CVVJVEXTFOUHHA-ZJUUUORDSA-N -1 0 343.782 3.711 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)Nc1cccc(CO[C@@H]2CCC[C@H](C)C2)c1 ZINC001594356103 999343783 /nfs/dbraw/zinc/34/37/83/999343783.db2.gz QXEHBBXEOXOEJS-JJRVBVJISA-N -1 0 348.443 3.767 20 0 EHADRM C[C@@H]1CCCC[C@H]1C(=O)Oc1ccc(Br)cc1C(=O)[O-] ZINC001594364326 999376852 /nfs/dbraw/zinc/37/68/52/999376852.db2.gz YIDHOOLOEXIIDW-MWLCHTKSSA-N -1 0 341.201 3.879 20 0 EHADRM C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001594365915 999382781 /nfs/dbraw/zinc/38/27/81/999382781.db2.gz LMLWWBMQUHAQOK-HIFRSBDPSA-N -1 0 345.443 3.685 20 0 EHADRM C[C@H]1CCCCN(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC001594370034 999393627 /nfs/dbraw/zinc/39/36/27/999393627.db2.gz DVJULYVFZIZSMM-GOEBONIOSA-N -1 0 332.444 3.670 20 0 EHADRM C[C@@H]1CCCCN1NC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001594376583 999421214 /nfs/dbraw/zinc/42/12/14/999421214.db2.gz VKWCANKSSKMQDK-CQSZACIVSA-N -1 0 338.407 3.571 20 0 EHADRM C[C@H]1CCCN(CC(=O)Nc2ccccc2C(=O)[O-])c2ccccc21 ZINC001594383605 999449027 /nfs/dbraw/zinc/44/90/27/999449027.db2.gz OSVCFTMWBPTAMC-AWEZNQCLSA-N -1 0 338.407 3.727 20 0 EHADRM C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001594388156 999468939 /nfs/dbraw/zinc/46/89/39/999468939.db2.gz INNUAGTZHSSLFM-WIBUTAKZSA-N -1 0 344.455 3.596 20 0 EHADRM CCN(C[C@H](C)C(=O)[O-])C(=O)N(c1ccccc1)c1ccccc1 ZINC000275293877 1016320027 /nfs/dbraw/zinc/32/00/27/1016320027.db2.gz MKLRYRFRERBGSX-HNNXBMFYSA-N -1 0 326.396 3.987 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cccc(C(=O)[O-])c2)c2ccccc2S1 ZINC001594411618 999536304 /nfs/dbraw/zinc/53/63/04/999536304.db2.gz QRDFYCLANCNVIF-GFCCVEGCSA-N -1 0 327.405 3.916 20 0 EHADRM C[C@@H]1CCN(C)c2ccccc2N1Cc1ccc(C(=O)[O-])cc1F ZINC001594423432 999580624 /nfs/dbraw/zinc/58/06/24/999580624.db2.gz RQSXQGMYQVXVFP-CYBMUJFWSA-N -1 0 328.387 3.759 20 0 EHADRM C[C@@H]1CCc2sc(-c3nnc(-c4ccc(C(=O)[O-])cn4)o3)cc2C1 ZINC001594450969 999649202 /nfs/dbraw/zinc/64/92/02/999649202.db2.gz QHNBNZJSXMZRPP-SECBINFHSA-N -1 0 341.392 3.683 20 0 EHADRM C[C@@H]1CN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)[C@H]1c1ccccc1 ZINC001594463516 999678507 /nfs/dbraw/zinc/67/85/07/999678507.db2.gz WOYWMDDBEZYGDX-NPSWJUPGSA-N -1 0 327.424 3.631 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1ccccc1Sc1ccccc1)C(=O)[O-] ZINC000655573726 1016372145 /nfs/dbraw/zinc/37/21/45/1016372145.db2.gz YYCULAZHKBCKGG-MRXNPFEDSA-N -1 0 343.448 3.924 20 0 EHADRM O=C(c1ccc(O)cc1O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000177681423 1016433348 /nfs/dbraw/zinc/43/33/48/1016433348.db2.gz UGKDJTSWRCXMCD-UHFFFAOYSA-N -1 0 338.190 3.603 20 0 EHADRM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1cc(Cl)ccn1 ZINC000349146143 1016467301 /nfs/dbraw/zinc/46/73/01/1016467301.db2.gz XXAIAJLUPHFWGK-UHFFFAOYSA-N -1 0 340.763 3.730 20 0 EHADRM Cc1ccc2c(c1)C(=NNc1ccc(Cl)c(C(=O)[O-])c1)C(=O)N2 ZINC000013338974 1016543999 /nfs/dbraw/zinc/54/39/99/1016543999.db2.gz PCTMKYWRFWJMFQ-UHFFFAOYSA-N -1 0 329.743 3.764 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(C(=O)[O-])c(C)n1 ZINC000648333450 1016606618 /nfs/dbraw/zinc/60/66/18/1016606618.db2.gz VMZMXXWSKBVEKW-UHFFFAOYSA-N -1 0 342.395 3.647 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)cc1F)C(=O)[O-] ZINC000236604826 1016646658 /nfs/dbraw/zinc/64/66/58/1016646658.db2.gz VMIDUCJAUAPJME-QGZVFWFLSA-N -1 0 347.361 3.861 20 0 EHADRM C[C@@H](NC(=O)NCC1(C(=O)[O-])CCC1)c1cc(Cl)ccc1Cl ZINC000659395549 1016649591 /nfs/dbraw/zinc/64/95/91/1016649591.db2.gz RXAMJUOTDIOICH-SECBINFHSA-N -1 0 345.226 3.609 20 0 EHADRM O=C([O-])[C@H]1CCCCN1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000326745701 1016667690 /nfs/dbraw/zinc/66/76/90/1016667690.db2.gz FJZDSSFBHQRXEL-GOSISDBHSA-N -1 0 336.391 3.729 20 0 EHADRM CCC(CC)[C@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1cccs1 ZINC000236702277 1016726643 /nfs/dbraw/zinc/72/66/43/1016726643.db2.gz PMXSYEZFYRWCMZ-HNNXBMFYSA-N -1 0 332.425 3.749 20 0 EHADRM CCc1occc1C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000430404842 1016758275 /nfs/dbraw/zinc/75/82/75/1016758275.db2.gz DBFCWQLZVJMIFS-UHFFFAOYSA-N -1 0 333.800 3.688 20 0 EHADRM CSc1ccc(Cl)c(C(=O)NCC2(C(=O)[O-])CCCCC2)c1 ZINC000179192569 1016852721 /nfs/dbraw/zinc/85/27/21/1016852721.db2.gz BRKWTCVHIOSVSW-UHFFFAOYSA-N -1 0 341.860 3.827 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2cc(F)c([O-])c(F)c2)C1 ZINC000180042225 1016885451 /nfs/dbraw/zinc/88/54/51/1016885451.db2.gz VZYUCDWMHGAZHJ-TZMCWYRMSA-N -1 0 331.362 3.997 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(F)c([O-])c(F)c2)CC[C@@H]1c1ccccc1 ZINC000180071985 1016886026 /nfs/dbraw/zinc/88/60/26/1016886026.db2.gz HLOAHTZEKXINBO-DOMZBBRYSA-N -1 0 331.362 3.936 20 0 EHADRM COc1ccc(-c2cc(Nc3ccc(C(=O)[O-])c(C)c3)n(C)n2)cc1 ZINC001211648033 1016946758 /nfs/dbraw/zinc/94/67/58/1016946758.db2.gz RUMLZLDPBOZEEP-UHFFFAOYSA-N -1 0 337.379 3.846 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655583870 1016963783 /nfs/dbraw/zinc/96/37/83/1016963783.db2.gz RLVLXUYCSIWEGR-LEWSCRJBSA-N -1 0 347.386 3.746 20 0 EHADRM CCN(C(=O)c1ccc(SCc2ccccc2)cc1)[C@H](C)C(=O)[O-] ZINC000659777583 1017009254 /nfs/dbraw/zinc/00/92/54/1017009254.db2.gz WQCBPCVKXGMYCA-CQSZACIVSA-N -1 0 343.448 3.914 20 0 EHADRM O=C(Nc1ccc(Cl)c(OC(F)F)c1)c1ccc(O)cc1O ZINC000182251749 1017058836 /nfs/dbraw/zinc/05/88/36/1017058836.db2.gz YNONQSQQPKWKEN-UHFFFAOYSA-N -1 0 329.686 3.605 20 0 EHADRM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000183341912 1032161999 /nfs/dbraw/zinc/16/19/99/1032161999.db2.gz ZNEJJPMPYOFRPR-SSDOTTSWSA-N -1 0 345.267 3.921 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@H]2CCC(=O)[O-])o1 ZINC000449136916 1032233343 /nfs/dbraw/zinc/23/33/43/1032233343.db2.gz CWLBTBSDPFHILT-CWVYHPPDSA-N -1 0 345.439 3.752 20 0 EHADRM Cc1ccc(C(C)(C)CC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000449144883 1032248264 /nfs/dbraw/zinc/24/82/64/1032248264.db2.gz VDFSXGFCURXFKI-QGZVFWFLSA-N -1 0 331.456 3.909 20 0 EHADRM CSc1ccc(C)c([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1 ZINC000538298966 1032280434 /nfs/dbraw/zinc/28/04/34/1032280434.db2.gz QZJBREUSNJUDJJ-UHFFFAOYSA-N -1 0 347.383 3.935 20 0 EHADRM CSc1ccc(C)c([N-]S(=O)(=O)c2cc(C)ccc2F)c1 ZINC000538299632 1032280932 /nfs/dbraw/zinc/28/09/32/1032280932.db2.gz ZJBNNLDFRAMWBX-UHFFFAOYSA-N -1 0 325.430 3.965 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1)C1CC1 ZINC000841501745 1032297445 /nfs/dbraw/zinc/29/74/45/1032297445.db2.gz RLLJZPJTSKZWJT-CYBMUJFWSA-N -1 0 330.428 3.750 20 0 EHADRM CCc1ccc(-c2nc(C3(C(=O)[O-])CCOCC3)sc2C)cc1 ZINC000905001060 1032313740 /nfs/dbraw/zinc/31/37/40/1032313740.db2.gz DJZXGYFWLHZFKN-UHFFFAOYSA-N -1 0 331.437 3.814 20 0 EHADRM O=C([O-])C1(c2nc(C3CCC(F)(F)CC3)cs2)CCOCC1 ZINC000905003689 1032315887 /nfs/dbraw/zinc/31/58/87/1032315887.db2.gz VUGCLYWZEXYNBC-UHFFFAOYSA-N -1 0 331.384 3.569 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc3c(cn2)CCCC3)sc1Cl ZINC000461206193 1032318992 /nfs/dbraw/zinc/31/89/92/1032318992.db2.gz DATYJRPJTADCLM-UHFFFAOYSA-N -1 0 342.873 3.785 20 0 EHADRM CC[C@@H]1CC[C@@H](C)N1C(=O)N=c1[n-]nc(Cc2ccc(C)cc2)s1 ZINC000536818661 1032320503 /nfs/dbraw/zinc/32/05/03/1032320503.db2.gz YTDQZOWHWZSBLI-UKRRQHHQSA-N -1 0 344.484 3.654 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)C2)cc1 ZINC000905124491 1032352612 /nfs/dbraw/zinc/35/26/12/1032352612.db2.gz VKJZBLAIQMOKRA-NRSFXHEJSA-N -1 0 329.440 3.590 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000905124692 1032353027 /nfs/dbraw/zinc/35/30/27/1032353027.db2.gz DROMGHDYZGSJMO-SYQHCUMBSA-N -1 0 333.403 3.551 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)N[C@H]1CCc2cccc3cccc1c32 ZINC000905126621 1032355900 /nfs/dbraw/zinc/35/59/00/1032355900.db2.gz ROSKPMGQDRQALC-HNNXBMFYSA-N -1 0 343.448 3.540 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)N[C@H]1CCc2cccc3cccc1c32 ZINC000905126571 1032356219 /nfs/dbraw/zinc/35/62/19/1032356219.db2.gz RFMLMFFCQSVKBW-NUJGCVRESA-N -1 0 335.403 3.610 20 0 EHADRM CC(C)(C)OCc1ccccc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000905130829 1032358783 /nfs/dbraw/zinc/35/87/83/1032358783.db2.gz JTMDBAIYTQCHFN-CABCVRRESA-N -1 0 331.412 3.607 20 0 EHADRM Cc1ccc(NC(=O)N2CC[C@@H](C)C[C@@H]2C(=O)[O-])cc1C(F)(F)F ZINC000392329431 1032376798 /nfs/dbraw/zinc/37/67/98/1032376798.db2.gz ADHLKSHHMYYFKT-NOZJJQNGSA-N -1 0 344.333 3.731 20 0 EHADRM O=C(NCCOc1ccc(Cl)cc1)c1ccc([O-])c(Cl)c1 ZINC000023746160 1032379993 /nfs/dbraw/zinc/37/99/93/1032379993.db2.gz FIWBCIGBLRGJPF-UHFFFAOYSA-N -1 0 326.179 3.508 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)CC2CCCCCC2)c1 ZINC000538471995 1032395944 /nfs/dbraw/zinc/39/59/44/1032395944.db2.gz JXFZIWMXVQVJCQ-KRWDZBQOSA-N -1 0 333.428 3.688 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)CC2 ZINC000262989147 1032407969 /nfs/dbraw/zinc/40/79/69/1032407969.db2.gz NZKSBDDGEZYINN-XYJFISCASA-N -1 0 329.440 3.805 20 0 EHADRM C[C@@H]1CN(C(=O)CCCc2csc3ccccc23)CC[C@H]1C(=O)[O-] ZINC000263027251 1032412067 /nfs/dbraw/zinc/41/20/67/1032412067.db2.gz QQSDCCVDRGLBJG-UKRRQHHQSA-N -1 0 345.464 3.793 20 0 EHADRM Cc1cccc(N=c2[n-]nc(SC[C@H]3CCCOC3)s2)c1C ZINC000532386126 1032423284 /nfs/dbraw/zinc/42/32/84/1032423284.db2.gz VXEBRMQIHHTEHL-ZDUSSCGKSA-N -1 0 335.498 3.839 20 0 EHADRM O=S(=O)([N-]c1ccc2scnc2c1)c1cnc2ccsc2c1 ZINC000084460823 1032430526 /nfs/dbraw/zinc/43/05/26/1032430526.db2.gz PDVRVVLNHOWATF-UHFFFAOYSA-N -1 0 347.446 3.707 20 0 EHADRM CSc1ccc(C)c([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000537196237 1032555278 /nfs/dbraw/zinc/55/52/78/1032555278.db2.gz CKJAYBGYPUWZDR-UHFFFAOYSA-N -1 0 347.383 3.935 20 0 EHADRM Cc1ccc(CNC(=O)c2cccc(Br)c2[O-])cc1F ZINC000592828644 1032584103 /nfs/dbraw/zinc/58/41/03/1032584103.db2.gz BULGEUCYZMTBMD-UHFFFAOYSA-N -1 0 338.176 3.532 20 0 EHADRM CCc1oc2ccccc2c1CN(C)C(=O)[C@H](C)S[C@@H](C)C(=O)[O-] ZINC000601991974 1032584858 /nfs/dbraw/zinc/58/48/58/1032584858.db2.gz HDZPYLUOQIJBJY-RYUDHWBXSA-N -1 0 349.452 3.548 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)[C@H](C)S[C@H](C)C(=O)[O-] ZINC000601992712 1032584885 /nfs/dbraw/zinc/58/48/85/1032584885.db2.gz QSHJOQBUWISAAQ-GRYCIOLGSA-N -1 0 335.425 3.513 20 0 EHADRM CCc1oc2ccccc2c1CN(C)C(=O)[C@@H](C)S[C@H](C)C(=O)[O-] ZINC000601991977 1032585275 /nfs/dbraw/zinc/58/52/75/1032585275.db2.gz HDZPYLUOQIJBJY-VXGBXAGGSA-N -1 0 349.452 3.548 20 0 EHADRM Cc1cc(NC(=O)[C@H](C)S[C@H](C)C(=O)[O-])ccc1-c1ccncc1 ZINC000601993767 1032585541 /nfs/dbraw/zinc/58/55/41/1032585541.db2.gz OSSKBNNRNILQLX-QWHCGFSZSA-N -1 0 344.436 3.590 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)N1CCCCC[C@H]1c1ccccc1 ZINC000602004894 1032588298 /nfs/dbraw/zinc/58/82/98/1032588298.db2.gz SQFIKLSYDMJYLD-YCPHGPKFSA-N -1 0 335.469 3.725 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)N1CC(C)(C)C[C@@H]1c1ccccc1 ZINC000602008016 1032591058 /nfs/dbraw/zinc/59/10/58/1032591058.db2.gz OYSDWJJLKCKZDU-VNHYZAJKSA-N -1 0 335.469 3.581 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)C1(c2cccs2)CCCCC1 ZINC000606201267 1032603733 /nfs/dbraw/zinc/60/37/33/1032603733.db2.gz VNVHAZSSKDBCKS-UHFFFAOYSA-N -1 0 327.453 3.678 20 0 EHADRM CC1(C)CCc2ccccc2[C@H](NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])C1 ZINC000669622600 1032604703 /nfs/dbraw/zinc/60/47/03/1032604703.db2.gz NZESKJOVNOJNOJ-RCCFBDPRSA-N -1 0 341.451 3.873 20 0 EHADRM CC1(C)CCc2ccccc2[C@@H](NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])C1 ZINC000669622601 1032604742 /nfs/dbraw/zinc/60/47/42/1032604742.db2.gz NZESKJOVNOJNOJ-SQNIBIBYSA-N -1 0 341.451 3.873 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N(C)[C@@H]2CC[C@H](C)C2)s1 ZINC000471340770 1017125903 /nfs/dbraw/zinc/12/59/03/1017125903.db2.gz NYSMBHYCZMWTEF-GXFFZTMASA-N -1 0 348.447 3.727 20 0 EHADRM CCN(CCC1CC1)C(=O)N=c1[n-]nc(-c2cc(F)ccc2C)s1 ZINC000471355235 1017188470 /nfs/dbraw/zinc/18/84/70/1017188470.db2.gz ZOIBXFSRRCPJGL-UHFFFAOYSA-N -1 0 348.447 3.728 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N2C[C@@H](C)CC2(C)C)s1 ZINC000471376623 1017210659 /nfs/dbraw/zinc/21/06/59/1017210659.db2.gz QRJOWCXWEUDYRP-JTQLQIEISA-N -1 0 348.447 3.727 20 0 EHADRM CSc1ccc(O)c(C(=O)N2CCC[C@@H]2c2csc(C)n2)c1 ZINC000613617852 1017218404 /nfs/dbraw/zinc/21/84/04/1017218404.db2.gz PAYMEZUXEGFRFE-CQSZACIVSA-N -1 0 334.466 3.856 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1c[nH]c(=O)c2ccccc12 ZINC000188906851 1017335799 /nfs/dbraw/zinc/33/57/99/1017335799.db2.gz CQPKKDKGPMDLQZ-UHFFFAOYSA-N -1 0 349.173 3.793 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NCc2ncc(C(C)(C)C)s2)cc1 ZINC000669470588 1032691681 /nfs/dbraw/zinc/69/16/81/1032691681.db2.gz XKGHGUFZOPRRIO-CQSZACIVSA-N -1 0 348.468 3.755 20 0 EHADRM C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1ncc2ccccc2c1O ZINC000613638497 1017346946 /nfs/dbraw/zinc/34/69/46/1017346946.db2.gz STYHMHYOFVHQTP-MFKMUULPSA-N -1 0 338.329 3.743 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)N=c2[n-]nc(C3CC3)s2)c1C ZINC000584448528 1032700980 /nfs/dbraw/zinc/70/09/80/1032700980.db2.gz XQKGNKYWBLAVJJ-OAHLLOKOSA-N -1 0 342.468 3.823 20 0 EHADRM CCCCC[C@@H](C(=O)[N-]S(=O)(=O)c1ccccc1C)C(C)C ZINC000756215487 1017576410 /nfs/dbraw/zinc/57/64/10/1017576410.db2.gz CPCKMCFKQYMDPE-OAHLLOKOSA-N -1 0 325.474 3.652 20 0 EHADRM Cc1cc(C)c(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)c(C)c1 ZINC000537411192 1032712602 /nfs/dbraw/zinc/71/26/02/1032712602.db2.gz LJXDNKBZJHQLAE-UHFFFAOYSA-N -1 0 347.798 3.981 20 0 EHADRM Clc1ccc(Cl)c(CN=c2[n-]ncn2Cc2ccccc2)c1 ZINC000547961050 1017690607 /nfs/dbraw/zinc/69/06/07/1017690607.db2.gz REAACMQFOZDRPF-UHFFFAOYSA-N -1 0 333.222 3.667 20 0 EHADRM O=C([O-])C[C@H](NCc1ncc(C(F)(F)F)s1)c1cccs1 ZINC000669472727 1032727384 /nfs/dbraw/zinc/72/73/84/1032727384.db2.gz PXXYUQLGEUXICZ-ZETCQYMHSA-N -1 0 336.360 3.529 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N2CCC[C@@H]2c2cccs2)cc1 ZINC000377459048 1017843699 /nfs/dbraw/zinc/84/36/99/1017843699.db2.gz RGJLCULNRPDDPV-JOZWUWCOSA-N -1 0 327.405 3.823 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@H](C(C)(C)C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655904037 1017894917 /nfs/dbraw/zinc/89/49/17/1017894917.db2.gz QREUTSODQDMURQ-CBBWQLFWSA-N -1 0 338.492 3.590 20 0 EHADRM Cc1ccc([C@@H](C)N(C)C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655909035 1017907235 /nfs/dbraw/zinc/90/72/35/1017907235.db2.gz YLXMKBAWCSGOHI-TXCZRRACSA-N -1 0 346.471 3.833 20 0 EHADRM COc1c(-c2ccccc2OC[C@@H]2CCOC2)ccc(C)c1C(=O)[O-] ZINC000579979007 1017944216 /nfs/dbraw/zinc/94/42/16/1017944216.db2.gz MXYMQCWTOMJIAM-CQSZACIVSA-N -1 0 342.391 3.784 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)ccc1O)c1cc(Cl)ccc1F ZINC000556349770 1018005028 /nfs/dbraw/zinc/00/50/28/1018005028.db2.gz TXIYHOCCJYNOIN-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM CCSc1cccc(CN=c2[n-]nc(Cc3cccc(F)c3)o2)c1 ZINC000471476019 1018112055 /nfs/dbraw/zinc/11/20/55/1018112055.db2.gz MASRNEWKWIFGPA-UHFFFAOYSA-N -1 0 343.427 3.946 20 0 EHADRM CC(C)CCn1nccc1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000683714011 1018136894 /nfs/dbraw/zinc/13/68/94/1018136894.db2.gz RDWTUEJPFQBNDC-UHFFFAOYSA-N -1 0 345.827 3.523 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc(Br)cc(Cl)c2[O-])[C@H]1C ZINC000177085477 1018324176 /nfs/dbraw/zinc/32/41/76/1018324176.db2.gz FXTQYTGUZKYWQK-SFYZADRCSA-N -1 0 332.625 3.679 20 0 EHADRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cc(C)cc(F)c2)n[nH]1 ZINC000471499277 1018326897 /nfs/dbraw/zinc/32/68/97/1018326897.db2.gz CRSYTWIDVPSNMG-LLVKDONJSA-N -1 0 325.409 3.562 20 0 EHADRM CCC1(C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)CCC(F)(F)CC1 ZINC000659137854 1018348354 /nfs/dbraw/zinc/34/83/54/1018348354.db2.gz YYDCRSUUYXUTNB-CQSZACIVSA-N -1 0 339.382 3.577 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CC(C)(C)CC(F)F ZINC000893078817 1018377090 /nfs/dbraw/zinc/37/70/90/1018377090.db2.gz NMCYPNUOKXEPPA-CYBMUJFWSA-N -1 0 347.427 3.655 20 0 EHADRM Cc1ncc(CN=c2[n-]nc(-c3ccccc3C)o2)n1-c1ccccc1 ZINC000340555072 1018409764 /nfs/dbraw/zinc/40/97/64/1018409764.db2.gz PJTKTJJWZWAKIV-UHFFFAOYSA-N -1 0 345.406 3.573 20 0 EHADRM C[C@H](Nc1cncc(-c2ccccc2)n1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656091706 1018521254 /nfs/dbraw/zinc/52/12/54/1018521254.db2.gz HUNNIDVJQOVQSA-AEGPPILISA-N -1 0 325.412 3.691 20 0 EHADRM C[C@@H](N=c1nc(C(F)(F)F)[n-]s1)c1cccc(N2CCCC2)c1 ZINC000580106916 1018654490 /nfs/dbraw/zinc/65/44/90/1018654490.db2.gz BKCKUMVSWJRJSQ-SNVBAGLBSA-N -1 0 342.390 3.752 20 0 EHADRM O=S(=O)([N-]C1(c2ccccc2)CC1)c1c(Cl)ccc(F)c1F ZINC000580110265 1018656846 /nfs/dbraw/zinc/65/68/46/1018656846.db2.gz GOGOPKQTILYZSO-UHFFFAOYSA-N -1 0 343.782 3.586 20 0 EHADRM COCCOCc1cccc(-c2cc(F)cc(C3(C(=O)[O-])CC3)c2)c1 ZINC000580214393 1018804229 /nfs/dbraw/zinc/80/42/29/1018804229.db2.gz UNUVIABXEGCWBF-UHFFFAOYSA-N -1 0 344.382 3.772 20 0 EHADRM O=C([O-])C1CCC(CC(=O)Nc2ccc(OCC(F)F)cc2)CC1 ZINC000576349723 1018838997 /nfs/dbraw/zinc/83/89/97/1018838997.db2.gz SIRDBZUJBJZQNR-UHFFFAOYSA-N -1 0 341.354 3.550 20 0 EHADRM O=S(=O)([O-])c1cc(Cl)ccc1Nc1cccc(O)c1Cl ZINC001210854572 1018866945 /nfs/dbraw/zinc/86/69/45/1018866945.db2.gz FLBKYCDYMHCQGK-UHFFFAOYSA-N -1 0 334.180 3.689 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)C1CCC(C2CC2)CC1 ZINC000614386533 1018942199 /nfs/dbraw/zinc/94/21/99/1018942199.db2.gz DQLJDQYILGBPKV-UHFFFAOYSA-N -1 0 340.427 3.641 20 0 EHADRM CCCC[C@H](NC(=O)Nc1ccc2oc(C(C)C)nc2c1)C(=O)[O-] ZINC000571473485 1018991269 /nfs/dbraw/zinc/99/12/69/1018991269.db2.gz FTVVDVCZXJYJGC-LBPRGKRZSA-N -1 0 333.388 3.716 20 0 EHADRM Cc1nc(C)c(S(=O)(=O)[N-]c2ccccc2OC(C)(C)C)s1 ZINC000433497871 1019021199 /nfs/dbraw/zinc/02/11/99/1019021199.db2.gz RZYCYFFIMNPBBN-UHFFFAOYSA-N -1 0 340.470 3.738 20 0 EHADRM C[C@H](NC(=O)CC1(C)CCCCC1)c1ccc(OCC(=O)[O-])cc1 ZINC000580330605 1019043484 /nfs/dbraw/zinc/04/34/84/1019043484.db2.gz OKGRJFHEQUTLKE-AWEZNQCLSA-N -1 0 333.428 3.688 20 0 EHADRM COc1ccc(Nc2cc(Cl)c([O-])c(Cl)c2)c(C(N)=O)c1 ZINC001210929304 1019079230 /nfs/dbraw/zinc/07/92/30/1019079230.db2.gz WWZAQRXVGJAEJY-UHFFFAOYSA-N -1 0 327.167 3.550 20 0 EHADRM Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cccc(F)c1[O-] ZINC001125444970 1019166371 /nfs/dbraw/zinc/16/63/71/1019166371.db2.gz NJHSIFUWLXSDOZ-UHFFFAOYSA-N -1 0 339.326 3.674 20 0 EHADRM Cc1ccc(NCc2ccc(Oc3cnccn3)cc2)cc1C(=O)[O-] ZINC000340677666 1019180031 /nfs/dbraw/zinc/18/00/31/1019180031.db2.gz SYMGRGUQVYSEOZ-UHFFFAOYSA-N -1 0 335.363 3.888 20 0 EHADRM CCC(C)(C)N(C)C(=O)Nc1cc(Br)ccc1C(=O)[O-] ZINC000069457297 1019222396 /nfs/dbraw/zinc/22/23/96/1019222396.db2.gz JYZHSFNGFWHIKX-UHFFFAOYSA-N -1 0 343.221 3.800 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)Nc1nc(C)cs1 ZINC000683920684 1019240677 /nfs/dbraw/zinc/24/06/77/1019240677.db2.gz GYFYHZCCMRJISR-ZDUSSCGKSA-N -1 0 333.413 3.521 20 0 EHADRM Cc1ccc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000729238022 1019245547 /nfs/dbraw/zinc/24/55/47/1019245547.db2.gz RMABTUBFWZSWFI-GFCCVEGCSA-N -1 0 347.798 3.846 20 0 EHADRM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)n[nH]1 ZINC000476076984 1032821649 /nfs/dbraw/zinc/82/16/49/1032821649.db2.gz CIBJLHUFBOPVRP-VIFPVBQESA-N -1 0 343.399 3.701 20 0 EHADRM CCOC(=O)c1ccc(/C=C/c2ccc3cc(C(=O)[O-])ccc3n2)o1 ZINC000513252376 1019482891 /nfs/dbraw/zinc/48/28/91/1019482891.db2.gz YBDSVGFEPRCRQV-VOTSOKGWSA-N -1 0 337.331 3.873 20 0 EHADRM CCC[C@H](NC(=O)N=c1nc([C@H](C)OC)[n-]s1)C1CCCCC1 ZINC000580499752 1019502103 /nfs/dbraw/zinc/50/21/03/1019502103.db2.gz KLRYBBJBHWXRKJ-AAEUAGOBSA-N -1 0 340.493 3.538 20 0 EHADRM CC(C)Sc1c(Cl)cccc1NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000261998714 1019510701 /nfs/dbraw/zinc/51/07/01/1019510701.db2.gz DJUOKCNBEBPQNN-ZJUUUORDSA-N -1 0 327.833 3.890 20 0 EHADRM Cc1oc(-c2ccccc2)nc1C(=O)NCCCCCCCC(=O)[O-] ZINC000262123585 1019540894 /nfs/dbraw/zinc/54/08/94/1019540894.db2.gz GSIITEIWSURAGZ-UHFFFAOYSA-N -1 0 344.411 3.805 20 0 EHADRM COC(=O)c1[n-]c(=N[C@@H](c2ccc(F)cc2F)C(C)C)sc1C ZINC000433774511 1019609267 /nfs/dbraw/zinc/60/92/67/1019609267.db2.gz OSNYDTQJAUYSGJ-CYBMUJFWSA-N -1 0 340.395 3.747 20 0 EHADRM Cc1nc(C)c(S(=O)(=O)[N-]c2cc(C(C)(C)C)ccc2O)s1 ZINC000433807368 1019636011 /nfs/dbraw/zinc/63/60/11/1019636011.db2.gz GICFCIHWIYMZFE-UHFFFAOYSA-N -1 0 340.470 3.564 20 0 EHADRM CCCOCCOc1cccc(-c2cc(OC)ccc2C(=O)[O-])c1 ZINC000580570644 1019664113 /nfs/dbraw/zinc/66/41/13/1019664113.db2.gz GHNMMYGCAQNZNQ-UHFFFAOYSA-N -1 0 330.380 3.866 20 0 EHADRM CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1c(C)[nH][nH]c1=O ZINC000647816705 1019690700 /nfs/dbraw/zinc/69/07/00/1019690700.db2.gz RBJKRHRITSGKAA-LLVKDONJSA-N -1 0 341.333 3.650 20 0 EHADRM CC(C)(CCNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000262878905 1019754445 /nfs/dbraw/zinc/75/44/45/1019754445.db2.gz CALNYJRPALFULE-WDEREUQCSA-N -1 0 344.238 3.714 20 0 EHADRM CC(C)[C@@H](C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000263014455 1019789946 /nfs/dbraw/zinc/78/99/46/1019789946.db2.gz XMBXDOFJOYPCTK-QZTJIDSGSA-N -1 0 343.398 3.550 20 0 EHADRM CCc1sc(C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1C ZINC000263030649 1019794805 /nfs/dbraw/zinc/79/48/05/1019794805.db2.gz YVHOZGYXUWPFDM-CABCVRRESA-N -1 0 343.448 3.559 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)CC[C@H](C)c1ccccc1 ZINC000263039008 1019798330 /nfs/dbraw/zinc/79/83/30/1019798330.db2.gz DNOUAVMKMSIYLM-AWEZNQCLSA-N -1 0 341.407 3.981 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nc(CC(C)(C)C)cs2)c(C)o1 ZINC000345198677 1020022735 /nfs/dbraw/zinc/02/27/35/1020022735.db2.gz CUYYEDZBYGUKHH-UHFFFAOYSA-N -1 0 328.459 3.742 20 0 EHADRM CCCc1cnc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)s1 ZINC000345185086 1020036377 /nfs/dbraw/zinc/03/63/77/1020036377.db2.gz FXOLVWWBPJDCOS-UHFFFAOYSA-N -1 0 347.465 3.753 20 0 EHADRM CC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000760334486 1032870204 /nfs/dbraw/zinc/87/02/04/1032870204.db2.gz HONOIUOLLRZOEI-UHFFFAOYSA-N -1 0 341.791 3.791 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)N2CCC(C)=C(C)C2)s[n-]1 ZINC000580826870 1020097943 /nfs/dbraw/zinc/09/79/43/1020097943.db2.gz HOFQDUDXMYBPBL-UHFFFAOYSA-N -1 0 334.470 3.571 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)c1sc2cc(F)ccc2c1Cl ZINC000070311395 1020110567 /nfs/dbraw/zinc/11/05/67/1020110567.db2.gz FKMKWHQHGIFEIX-ZETCQYMHSA-N -1 0 329.780 3.677 20 0 EHADRM Cc1cccc(CSc2n[n-]c(=NCCc3cccs3)s2)n1 ZINC000345395463 1020205481 /nfs/dbraw/zinc/20/54/81/1020205481.db2.gz FCOLRJMSCYDHDE-UHFFFAOYSA-N -1 0 348.522 3.672 20 0 EHADRM CCCN(C(=O)N[C@H](CC)c1ccc(F)cc1F)[C@H](CC)C(=O)[O-] ZINC000580989925 1020339807 /nfs/dbraw/zinc/33/98/07/1020339807.db2.gz MXGGPTFQLRJKRN-HUUCEWRRSA-N -1 0 342.386 3.701 20 0 EHADRM O=C([O-])COCCN1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 ZINC000581016933 1020359212 /nfs/dbraw/zinc/35/92/12/1020359212.db2.gz LPJAYTXPXQQAPH-SFHVURJKSA-N -1 0 345.826 3.541 20 0 EHADRM O=C([O-])c1ccc(-c2cc(F)ccc2OC[C@@H]2CCCCO2)nc1 ZINC000581022953 1020363098 /nfs/dbraw/zinc/36/30/98/1020363098.db2.gz PIXFNEGLHJUCOT-AWEZNQCLSA-N -1 0 331.343 3.534 20 0 EHADRM Cc1ccccc1[C@H](CC(C)C)NC(=O)N=c1ncn(C(C)(C)C)[n-]1 ZINC000345607129 1020382843 /nfs/dbraw/zinc/38/28/43/1020382843.db2.gz LYJFJYBJJAEMNP-INIZCTEOSA-N -1 0 343.475 3.672 20 0 EHADRM Cc1nn(C)c2sc(C(=O)Nc3cc(Cl)c([O-])cc3F)cc12 ZINC000345709074 1020464062 /nfs/dbraw/zinc/46/40/62/1020464062.db2.gz RLISAUWSASPGOF-UHFFFAOYSA-N -1 0 339.779 3.694 20 0 EHADRM Cc1ccc(S[C@H](C)C(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000345769132 1020500073 /nfs/dbraw/zinc/50/00/73/1020500073.db2.gz GEEJUSWPSVELLV-CYBMUJFWSA-N -1 0 329.421 3.741 20 0 EHADRM CC(=O)Nc1ccc(C)cc1NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000172758325 1032911748 /nfs/dbraw/zinc/91/17/48/1032911748.db2.gz SWTPVXGPWQQKHK-UHFFFAOYSA-N -1 0 341.392 3.636 20 0 EHADRM CCCc1noc(-c2ccc([N-]S(=O)(=O)c3cccs3)cc2)n1 ZINC000345932100 1020620723 /nfs/dbraw/zinc/62/07/23/1020620723.db2.gz DVVUNARNLWKCGA-UHFFFAOYSA-N -1 0 349.437 3.551 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)C[C@H](C(=O)[O-])c1ccccc1)[C@H](C)C2 ZINC000656486243 1020705831 /nfs/dbraw/zinc/70/58/31/1020705831.db2.gz WQSSJFMWNDOWOE-WNYOCNMUSA-N -1 0 337.419 3.603 20 0 EHADRM O=C(Nc1cccc(-c2ncc[nH]2)c1)c1ccc2[n-]c(=S)oc2c1 ZINC000172767437 1032928611 /nfs/dbraw/zinc/92/86/11/1032928611.db2.gz ZLPPAWRUZSDRDG-UHFFFAOYSA-N -1 0 336.376 3.759 20 0 EHADRM Cc1cc2cc(NC(=O)CSc3n[n-]c(=S)s3)ccc2[nH]1 ZINC000176002088 1020831843 /nfs/dbraw/zinc/83/18/43/1020831843.db2.gz ZJAOWBSBMZHUSZ-UHFFFAOYSA-N -1 0 336.467 3.721 20 0 EHADRM CCc1noc(CCCC(=O)Nc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000760425907 1032942733 /nfs/dbraw/zinc/94/27/33/1032942733.db2.gz KEDDLFCDMSBXBB-UHFFFAOYSA-N -1 0 344.198 3.606 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)NCc1cc(Cl)cc(Cl)c1)C1CCC1 ZINC000656585366 1020969328 /nfs/dbraw/zinc/96/93/28/1020969328.db2.gz QLOGHNHNNXROEN-SECBINFHSA-N -1 0 345.226 3.531 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)NCc1ccc(Cl)c(Cl)c1)C1CCC1 ZINC000656597565 1020980318 /nfs/dbraw/zinc/98/03/18/1020980318.db2.gz SIQFGUOPZIYBML-SECBINFHSA-N -1 0 345.226 3.531 20 0 EHADRM CCN(CC1CC1)C(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000156240444 1021025576 /nfs/dbraw/zinc/02/55/76/1021025576.db2.gz XMPXKMNBMCUCSH-UHFFFAOYSA-N -1 0 332.625 3.680 20 0 EHADRM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2O)c1 ZINC000656625447 1021055453 /nfs/dbraw/zinc/05/54/53/1021055453.db2.gz CHIORQRBWZYUPK-LLVKDONJSA-N -1 0 339.388 3.509 20 0 EHADRM CCc1ncsc1[N-]S(=O)(=O)c1cccc(O[C@H](C)CC)c1 ZINC000656625722 1021060613 /nfs/dbraw/zinc/06/06/13/1021060613.db2.gz IFLZWDJUNAMDLQ-LLVKDONJSA-N -1 0 340.470 3.684 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)C[C@@H](c1ccccc1)C(F)(F)F)C(=O)[O-] ZINC000581550709 1021080808 /nfs/dbraw/zinc/08/08/08/1021080808.db2.gz LSLVOSOWXKYJNP-UBHSHLNASA-N -1 0 345.361 3.728 20 0 EHADRM CC(C)c1scnc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000341229838 1021134674 /nfs/dbraw/zinc/13/46/74/1021134674.db2.gz WCNGDEZDBSOWES-UHFFFAOYSA-N -1 0 333.438 3.616 20 0 EHADRM COc1cc(-c2nc(-c3occc3C(C)C)no2)cc(OC)c1O ZINC000436777691 1021206733 /nfs/dbraw/zinc/20/67/33/1021206733.db2.gz DBPFSGKUNJIQSJ-UHFFFAOYSA-N -1 0 330.340 3.843 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)Cc2cc(F)ccc2Cl)on1 ZINC000656729334 1021212902 /nfs/dbraw/zinc/21/29/02/1021212902.db2.gz XTPOIFOCQYHQER-UHFFFAOYSA-N -1 0 346.811 3.707 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2c(Cl)cncc2Cl)c1 ZINC000436767975 1021215644 /nfs/dbraw/zinc/21/56/44/1021215644.db2.gz VMEJRVTVUHRGBA-UHFFFAOYSA-N -1 0 339.178 3.939 20 0 EHADRM COc1cccc(-c2cc(C(=O)Nc3cccc(Cl)c3[O-])n[nH]2)c1 ZINC000436801143 1021222609 /nfs/dbraw/zinc/22/26/09/1021222609.db2.gz QCTAHPKZHOBFGQ-UHFFFAOYSA-N -1 0 343.770 3.697 20 0 EHADRM O=C(NCc1ccc(-c2ccco2)cc1F)c1ccc(O)cc1F ZINC000436796669 1021242642 /nfs/dbraw/zinc/24/26/42/1021242642.db2.gz KJHIWVFZDRFUNZ-UHFFFAOYSA-N -1 0 329.302 3.860 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)CCCC1 ZINC000516281971 1021244210 /nfs/dbraw/zinc/24/42/10/1021244210.db2.gz FCUAVUVFXPVHEQ-DLBZAZTESA-N -1 0 329.440 3.864 20 0 EHADRM O=C([O-])[C@H]1CC[C@@H]1C(=O)Nc1cc(F)ccc1Oc1ccccc1 ZINC000507401907 1021252159 /nfs/dbraw/zinc/25/21/59/1021252159.db2.gz KBVFDYNMVUVZAA-KBPBESRZSA-N -1 0 329.327 3.667 20 0 EHADRM O=C(Nc1ccc(F)c(F)c1[O-])c1ccn(-c2ccccc2Cl)n1 ZINC001625988508 1032968347 /nfs/dbraw/zinc/96/83/47/1032968347.db2.gz YTFJZVKQXZIMRR-UHFFFAOYSA-N -1 0 349.724 3.762 20 0 EHADRM CC(C)[C@H](CNC(=O)c1cc(F)c([O-])c(F)c1)Cc1ccccc1 ZINC000436832758 1021264235 /nfs/dbraw/zinc/26/42/35/1021264235.db2.gz IKCAKZLBFMIDFX-HNNXBMFYSA-N -1 0 333.378 3.915 20 0 EHADRM CCOc1cc(NC(=O)c2nn(-c3ccccc3)cc2[O-])ccc1C ZINC000439252713 1021271949 /nfs/dbraw/zinc/27/19/49/1021271949.db2.gz QUHQSZCBNGECAC-UHFFFAOYSA-N -1 0 337.379 3.537 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3Cc4ccccc4C3)n2)cc1 ZINC000439244323 1021278430 /nfs/dbraw/zinc/27/84/30/1021278430.db2.gz GHQVTRJAFKLRBL-UHFFFAOYSA-N -1 0 347.418 3.857 20 0 EHADRM O=C(NCCCc1ccccc1)c1cccc(Br)c1[O-] ZINC000518544412 1021286689 /nfs/dbraw/zinc/28/66/89/1021286689.db2.gz OHYDJOYCXSZTER-UHFFFAOYSA-N -1 0 334.213 3.517 20 0 EHADRM C[C@@H]1CCCN(C(=O)c2cc(F)cc(Br)c2[O-])CC1 ZINC000436860820 1021298560 /nfs/dbraw/zinc/29/85/60/1021298560.db2.gz YLWMMXVELZFGIJ-SECBINFHSA-N -1 0 330.197 3.556 20 0 EHADRM O=C([O-])c1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c1Cl ZINC000656768625 1021302536 /nfs/dbraw/zinc/30/25/36/1021302536.db2.gz LTKYXXPKILTCPY-CJNGLKHVSA-N -1 0 337.847 3.819 20 0 EHADRM CC(C)C[C@H]1CCCN1C(=O)c1cccc(Br)c1[O-] ZINC000518574300 1021331277 /nfs/dbraw/zinc/33/12/77/1021331277.db2.gz APSQZQTXCIGZLD-LLVKDONJSA-N -1 0 326.234 3.805 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1cccc(-c2ncco2)c1C ZINC000427350162 1021337522 /nfs/dbraw/zinc/33/75/22/1021337522.db2.gz PRVBYKZNKVDTCE-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM COCC[C@H](NC(=O)c1cc(F)cc(Cl)c1[O-])c1ccc(C)o1 ZINC000436909322 1021354192 /nfs/dbraw/zinc/35/41/92/1021354192.db2.gz MIRKBPGFNNQGAA-ZDUSSCGKSA-N -1 0 341.766 3.594 20 0 EHADRM CCSc1cc(C(=O)Nc2cc(F)cc(Cl)c2[O-])ccn1 ZINC000436898374 1021363343 /nfs/dbraw/zinc/36/33/43/1021363343.db2.gz AHMFPDWPHKCAIG-UHFFFAOYSA-N -1 0 326.780 3.944 20 0 EHADRM O=C(N[C@@H]1CC[C@H](c2cccc(F)c2)C1)c1cc(F)c([O-])c(F)c1 ZINC000436922628 1021379527 /nfs/dbraw/zinc/37/95/27/1021379527.db2.gz OVVCJVSEEGAVRV-SMDDNHRTSA-N -1 0 335.325 3.876 20 0 EHADRM CCc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)ccc1F ZINC000507597716 1021388241 /nfs/dbraw/zinc/38/82/41/1021388241.db2.gz FVQUBVSJAXTDBK-UHFFFAOYSA-N -1 0 348.321 3.603 20 0 EHADRM O=C(N[C@@H]1CCc2sc(Cl)cc21)c1cc(F)c([O-])c(F)c1 ZINC000436928568 1021389179 /nfs/dbraw/zinc/38/91/79/1021389179.db2.gz RNNPUEBMDMIPFY-SNVBAGLBSA-N -1 0 329.755 3.803 20 0 EHADRM O=C1CCc2cc(-c3noc(-c4cc(Cl)ccc4[O-])n3)ccc2N1 ZINC000436934467 1021396625 /nfs/dbraw/zinc/39/66/25/1021396625.db2.gz GTZDSWMYKYTYII-UHFFFAOYSA-N -1 0 341.754 3.647 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2nsc3ccc(C)cc32)c1 ZINC000436936528 1021399874 /nfs/dbraw/zinc/39/98/74/1021399874.db2.gz UGCWDBNNEGZHMI-UHFFFAOYSA-N -1 0 326.377 3.765 20 0 EHADRM Fc1ccc(C2=CC[C@H](N=c3[n-]nc(-c4ccon4)s3)CC2)cc1 ZINC000342914337 1021411834 /nfs/dbraw/zinc/41/18/34/1021411834.db2.gz ACQWXFVBCCCPNU-AWEZNQCLSA-N -1 0 342.399 3.802 20 0 EHADRM COc1ccccc1C1(CNC(=O)c2cc(F)c([O-])c(Cl)c2)CC1 ZINC000436966530 1021414787 /nfs/dbraw/zinc/41/47/87/1021414787.db2.gz VKELVWAGEGBHSO-UHFFFAOYSA-N -1 0 349.789 3.655 20 0 EHADRM CCOc1cc(-c2nc([C@](C)(OC)C3CC3)no2)cc(Cl)c1O ZINC000436955940 1021421549 /nfs/dbraw/zinc/42/15/49/1021421549.db2.gz NUKUGTWVZFYCFT-MRXNPFEDSA-N -1 0 338.791 3.766 20 0 EHADRM CC(C)Oc1c(F)cc(NC(=O)c2cc(F)c([O-])c(F)c2)cc1F ZINC000436972932 1021427432 /nfs/dbraw/zinc/42/74/32/1021427432.db2.gz WDIDJRXTNNPWHN-UHFFFAOYSA-N -1 0 343.276 3.988 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000909411498 1021439662 /nfs/dbraw/zinc/43/96/62/1021439662.db2.gz AREDUMMIVTXACD-UHFFFAOYSA-N -1 0 333.315 3.609 20 0 EHADRM COc1ccc(OC)c(-c2noc(-c3ccc(Cl)cc3[O-])n2)c1 ZINC000437001962 1021473968 /nfs/dbraw/zinc/47/39/68/1021473968.db2.gz RPWWFAGTEJSHQQ-UHFFFAOYSA-N -1 0 332.743 3.780 20 0 EHADRM Cc1cc(C)c(-c2cc([N-]S(=O)(=O)c3ccsc3)[nH]n2)cc1C ZINC000506592827 1021480898 /nfs/dbraw/zinc/48/08/98/1021480898.db2.gz HMPFUMPXFZMJSF-UHFFFAOYSA-N -1 0 347.465 3.864 20 0 EHADRM Cc1cccc(NC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])c1Cl ZINC000326308316 1021591851 /nfs/dbraw/zinc/59/18/51/1021591851.db2.gz JJGVEJANDQEWOI-OAHLLOKOSA-N -1 0 344.798 3.692 20 0 EHADRM Cc1cc2cc(CN=c3[n-]nc(C4CCOCC4)s3)oc2cc1C ZINC000516623464 1021604563 /nfs/dbraw/zinc/60/45/63/1021604563.db2.gz JNGDMPIQYUJDPG-UHFFFAOYSA-N -1 0 343.452 3.829 20 0 EHADRM CCC(CC)c1nnc([N-]S(=O)(=O)c2ccccc2C)s1 ZINC000437187189 1021631111 /nfs/dbraw/zinc/63/11/11/1021631111.db2.gz XIHRVFROCARMLZ-UHFFFAOYSA-N -1 0 325.459 3.551 20 0 EHADRM CCCCc1nnc([N-]S(=O)(=O)c2cc(Cl)ccc2C)s1 ZINC000437190334 1021632864 /nfs/dbraw/zinc/63/28/64/1021632864.db2.gz OFYHZDMYPLARKA-UHFFFAOYSA-N -1 0 345.877 3.643 20 0 EHADRM CC(C)c1ccc(CCC(=O)N2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000439707503 1021652240 /nfs/dbraw/zinc/65/22/40/1021652240.db2.gz MSLIRBMXEJVEMM-SFHVURJKSA-N -1 0 337.419 3.958 20 0 EHADRM CC(C)c1cc(Sc2n[n-]c(=Nc3ccccc3)s2)ncn1 ZINC000518885277 1021661546 /nfs/dbraw/zinc/66/15/46/1021661546.db2.gz AZDAYQWDEUEPEA-UHFFFAOYSA-N -1 0 329.454 3.768 20 0 EHADRM O=C(c1ccccc1)c1cccc([N-]S(=O)(=O)c2ccsc2)c1 ZINC000506659365 1021674340 /nfs/dbraw/zinc/67/43/40/1021674340.db2.gz DDTVAQIUXCHLFW-UHFFFAOYSA-N -1 0 343.429 3.780 20 0 EHADRM CCN=c1[n-]nc(Sc2ncnc3sc4ccccc4c32)s1 ZINC000440653446 1021679487 /nfs/dbraw/zinc/67/94/87/1021679487.db2.gz PVOGOKDVJVHYAI-UHFFFAOYSA-N -1 0 345.478 3.701 20 0 EHADRM CC(C)(C)c1cnc([N-]S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000437339359 1021746708 /nfs/dbraw/zinc/74/67/08/1021746708.db2.gz UJSMITVPDPLCAZ-UHFFFAOYSA-N -1 0 330.862 3.895 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2nc3c(s2)CCCC3)c1 ZINC000437342137 1021757160 /nfs/dbraw/zinc/75/71/60/1021757160.db2.gz NQQFFCUEDSBFSV-UHFFFAOYSA-N -1 0 336.482 3.946 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000317654251 1021821569 /nfs/dbraw/zinc/82/15/69/1021821569.db2.gz DCHWDMXHVPAYON-OWRWGESLSA-N -1 0 341.860 3.580 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2csc3ccccc32)cc1F ZINC000506719385 1021829831 /nfs/dbraw/zinc/82/98/31/1021829831.db2.gz MWVSUZURZZLVRU-UHFFFAOYSA-N -1 0 337.397 3.850 20 0 EHADRM CC(C)Oc1ncccc1[N-]S(=O)(=O)c1cccc(C(F)F)c1 ZINC000780372604 1021857866 /nfs/dbraw/zinc/85/78/66/1021857866.db2.gz AAWVOCWWCWMAFA-UHFFFAOYSA-N -1 0 342.367 3.607 20 0 EHADRM Cc1ccsc1[C@H]1C[C@H]1C(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000439984877 1021864204 /nfs/dbraw/zinc/86/42/04/1021864204.db2.gz DDISKXSHDXMUCG-LSDHHAIUSA-N -1 0 335.432 3.678 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000439984876 1021864736 /nfs/dbraw/zinc/86/47/36/1021864736.db2.gz DDISKXSHDXMUCG-HUUCEWRRSA-N -1 0 335.432 3.678 20 0 EHADRM C[C@@H]1CO[C@H](c2ccccc2Cl)CN1Cc1ccoc1C(=O)[O-] ZINC000516932619 1021865579 /nfs/dbraw/zinc/86/55/79/1021865579.db2.gz WSQVVRTVWPATCB-ABAIWWIYSA-N -1 0 335.787 3.593 20 0 EHADRM C[C@H](NC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)c1cccc2ccccc21 ZINC000517028299 1021958371 /nfs/dbraw/zinc/95/83/71/1021958371.db2.gz AKEJEEALYHPDID-DEYYWGMASA-N -1 0 340.423 3.653 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000520222468 1022041575 /nfs/dbraw/zinc/04/15/75/1022041575.db2.gz KPRZCBPBLCBGNN-SNVBAGLBSA-N -1 0 347.440 3.645 20 0 EHADRM CCOc1cc(-c2ccccc2)sc1C(=O)N=c1nc(C)[n-]s1 ZINC000440292770 1022071418 /nfs/dbraw/zinc/07/14/18/1022071418.db2.gz HRZTUROORXBDBX-UHFFFAOYSA-N -1 0 345.449 3.648 20 0 EHADRM O=C([O-])c1ccc2c(c1)N(C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)CC2 ZINC000326365381 1022093440 /nfs/dbraw/zinc/09/34/40/1022093440.db2.gz SVSXWEDVCQPASS-DGCLKSJQSA-N -1 0 341.329 3.643 20 0 EHADRM O=S(=O)([N-]c1cccc(N2CCCCCC2)c1)c1ccsc1 ZINC000506831249 1022126822 /nfs/dbraw/zinc/12/68/22/1022126822.db2.gz WLIHFRJNDPKNTG-UHFFFAOYSA-N -1 0 336.482 3.929 20 0 EHADRM CC(=O)Nc1ccc(NC(=O)c2ccc([O-])c(Cl)c2)cc1Cl ZINC000141490355 1033032132 /nfs/dbraw/zinc/03/21/32/1033032132.db2.gz WFDSFWMGUWGOGY-UHFFFAOYSA-N -1 0 339.178 3.910 20 0 EHADRM O=Cc1ccc(-c2ccc(O)c(C(=O)N3CCC[C@H]4CCC[C@H]43)c2)o1 ZINC000933568690 1022176194 /nfs/dbraw/zinc/17/61/94/1022176194.db2.gz SOXNKCUUIHHLDW-CXAGYDPISA-N -1 0 339.391 3.869 20 0 EHADRM CC(C)(NC(=O)NCc1ccccc1Sc1ccccc1)C(=O)[O-] ZINC000574306184 1033035614 /nfs/dbraw/zinc/03/56/14/1033035614.db2.gz KSKHLTHZBIAASL-UHFFFAOYSA-N -1 0 344.436 3.500 20 0 EHADRM CCc1ccc(C(=O)N=c2[n-]nc(Cc3ccc(F)cc3)s2)cc1 ZINC000517355140 1022278321 /nfs/dbraw/zinc/27/83/21/1022278321.db2.gz KNXFUDYQGKLXFD-UHFFFAOYSA-N -1 0 341.411 3.505 20 0 EHADRM CCCCN(C)C(=O)N=c1[n-]nc([C@@H](CC)c2ccccc2)s1 ZINC000517379639 1022281835 /nfs/dbraw/zinc/28/18/35/1022281835.db2.gz JDHSMIVEHHFBIC-AWEZNQCLSA-N -1 0 332.473 3.766 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@@H](C)c2cc3cccc(F)c3o2)s1 ZINC000473919246 1022290922 /nfs/dbraw/zinc/29/09/22/1022290922.db2.gz FWPNAMOZUMFFDD-VIFPVBQESA-N -1 0 348.403 3.681 20 0 EHADRM CCn1nc(C)c(CN=c2[n-]nc(-c3ccccc3Cl)s2)c1C ZINC000546181585 1022308230 /nfs/dbraw/zinc/30/82/30/1022308230.db2.gz TXAQLWHSCWDXOZ-UHFFFAOYSA-N -1 0 347.875 3.726 20 0 EHADRM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)N=c2[n-]nc(C3CC3)s2)o1 ZINC000517461752 1022359970 /nfs/dbraw/zinc/35/99/70/1022359970.db2.gz PBWUABNZEOPYKS-ZWNOBZJWSA-N -1 0 346.456 3.744 20 0 EHADRM O[C@@H]1CC[C@@H](CN=c2[n-]nc(-c3cc(Cl)cc(Cl)c3)s2)C1 ZINC000473704959 1022565839 /nfs/dbraw/zinc/56/58/39/1022565839.db2.gz IHEYLHWZTDAFGK-PRHODGIISA-N -1 0 344.267 3.507 20 0 EHADRM C[C@@H](NC(=O)c1s[n-]c(=O)c1Cl)c1cccc(OC(F)F)c1 ZINC000550139463 1022574058 /nfs/dbraw/zinc/57/40/58/1022574058.db2.gz VUTAYAYRSFEGBJ-ZCFIWIBFSA-N -1 0 348.758 3.595 20 0 EHADRM Cc1n[nH]c(C)c1[N-]S(=O)(=O)c1cc(C(C)C)ccc1Cl ZINC000330499130 1022596762 /nfs/dbraw/zinc/59/67/62/1022596762.db2.gz GNVGAAIKTLPYSD-UHFFFAOYSA-N -1 0 327.837 3.604 20 0 EHADRM C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000330879883 1022693357 /nfs/dbraw/zinc/69/33/57/1022693357.db2.gz YBAVMNIJXUNCBG-KOLCDFICSA-N -1 0 348.226 3.612 20 0 EHADRM Cc1ccsc1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000049135691 1022698758 /nfs/dbraw/zinc/69/87/58/1022698758.db2.gz GONZKJYSARKEOH-UHFFFAOYSA-N -1 0 333.793 3.543 20 0 EHADRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1nc(C(C)C)cs1 ZINC000331324336 1022786318 /nfs/dbraw/zinc/78/63/18/1022786318.db2.gz NBOWCOLHIDKLBJ-UHFFFAOYSA-N -1 0 340.470 3.693 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2ccc(C)cc2Cl)ccc1F ZINC000188576527 1022829959 /nfs/dbraw/zinc/82/99/59/1022829959.db2.gz DOQUBOOOASPQKB-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CC[C@H](C)S(=O)(=O)[N-]C(=O)c1sc2cccc(C)c2c1Cl ZINC000785082649 1022856500 /nfs/dbraw/zinc/85/65/00/1022856500.db2.gz BPZPTUMGSFWQFF-VIFPVBQESA-N -1 0 345.873 3.721 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)N2C[C@@H](C)CC2(C)C)s[n-]1 ZINC000473820115 1022860317 /nfs/dbraw/zinc/86/03/17/1022860317.db2.gz BKHWEBIOWQGOLM-VIFPVBQESA-N -1 0 336.486 3.649 20 0 EHADRM C[C@H](Sc1ccccc1)C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000346013747 1022947249 /nfs/dbraw/zinc/94/72/49/1022947249.db2.gz KAEPXOXFZOEAPW-GRDNDAEWSA-N -1 0 343.448 3.745 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)NCC2CCCC2)s1)c1ccccc1 ZINC000518053382 1022949846 /nfs/dbraw/zinc/94/98/46/1022949846.db2.gz NQCLIUHNHHVYOC-OAHLLOKOSA-N -1 0 344.484 3.814 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)ccc1F ZINC000438766771 1022980658 /nfs/dbraw/zinc/98/06/58/1022980658.db2.gz SVADULZAPAIQPY-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(C)c2O)cc1 ZINC000438772727 1022984998 /nfs/dbraw/zinc/98/49/98/1022984998.db2.gz NZIDVGRXUYXHKE-UHFFFAOYSA-N -1 0 343.857 3.877 20 0 EHADRM O=C([O-])[C@@H](CC1CCCC1)NCc1csc(-c2ccccc2)n1 ZINC000426722368 1022989361 /nfs/dbraw/zinc/98/93/61/1022989361.db2.gz HMLKDLVANXAAPX-MRXNPFEDSA-N -1 0 330.453 3.933 20 0 EHADRM CC[C@@]1(C)Oc2ccc(NC(=O)c3cc(F)c([O-])c(F)c3)cc2O1 ZINC000189291572 1022994925 /nfs/dbraw/zinc/99/49/25/1022994925.db2.gz LATUJKOSKQTDCE-KRWDZBQOSA-N -1 0 335.306 3.820 20 0 EHADRM CC1CCC(O)(CSc2n[n-]c(=NCc3ccccc3)s2)CC1 ZINC000438786181 1022998921 /nfs/dbraw/zinc/99/89/21/1022998921.db2.gz XUMZCTSDISITKC-UHFFFAOYSA-N -1 0 349.525 3.605 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccccc1OC(F)(F)F ZINC000438799343 1023003447 /nfs/dbraw/zinc/00/34/47/1023003447.db2.gz HUNQZIODZRUNGP-UHFFFAOYSA-N -1 0 349.305 3.834 20 0 EHADRM CCn1nc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)c2ccccc21 ZINC000426741974 1023010099 /nfs/dbraw/zinc/01/00/99/1023010099.db2.gz NVQNFTPNKQZPMY-KRWDZBQOSA-N -1 0 343.814 3.625 20 0 EHADRM Cc1n[nH]c(C)c1[N-]S(=O)(=O)c1c(C)cc(C(C)(C)C)cc1C ZINC000161759214 1023024413 /nfs/dbraw/zinc/02/44/13/1023024413.db2.gz REHMQTLAEDATMS-UHFFFAOYSA-N -1 0 335.473 3.742 20 0 EHADRM Cc1ccc(CN[C@H](C(=O)[O-])c2c(Cl)cccc2Cl)nc1 ZINC000426761078 1023031419 /nfs/dbraw/zinc/03/14/19/1023031419.db2.gz XJIBVEZFNYFSLJ-AWEZNQCLSA-N -1 0 325.195 3.612 20 0 EHADRM O=C(CCc1ccoc1)Nc1cc(Br)cc(Cl)c1[O-] ZINC000535655951 1023044536 /nfs/dbraw/zinc/04/45/36/1023044536.db2.gz NDOBZIZFYZLENE-UHFFFAOYSA-N -1 0 344.592 3.972 20 0 EHADRM Cc1c(F)cccc1-c1ccc(CN[C@H](Cc2ccco2)C(=O)[O-])o1 ZINC000426807643 1023046737 /nfs/dbraw/zinc/04/67/37/1023046737.db2.gz IJLVGEMEIMGILX-QGZVFWFLSA-N -1 0 343.354 3.773 20 0 EHADRM CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000074118408 1023051374 /nfs/dbraw/zinc/05/13/74/1023051374.db2.gz YMINOOLYMVLIOI-CRAIPNDOSA-N -1 0 341.455 3.515 20 0 EHADRM CCC[C@H]1[C@@H](C)CCCN1C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000074118414 1023052771 /nfs/dbraw/zinc/05/27/71/1023052771.db2.gz YMINOOLYMVLIOI-YJBOKZPZSA-N -1 0 341.455 3.515 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)on1 ZINC000426198236 1023073369 /nfs/dbraw/zinc/07/33/69/1023073369.db2.gz ZJVMWVYTVWZWDO-UHFFFAOYSA-N -1 0 334.441 3.652 20 0 EHADRM O=C([O-])[C@H](NCc1csc(-c2ccc(F)cc2)n1)c1ccsc1 ZINC000426838194 1023074765 /nfs/dbraw/zinc/07/47/65/1023074765.db2.gz ZQPSWXJDDCFWIV-CQSZACIVSA-N -1 0 348.424 3.926 20 0 EHADRM CO[C@H](C)c1nc(=N[C@H](c2ccc(F)cc2F)C(C)C)s[n-]1 ZINC000509580617 1023078621 /nfs/dbraw/zinc/07/86/21/1023078621.db2.gz YTXLKRRQKLQLNX-RNCFNFMXSA-N -1 0 327.400 3.755 20 0 EHADRM COc1c(C)ccc([N-]S(=O)(=O)c2cnc3ccccc3c2)c1C ZINC000430982034 1023084755 /nfs/dbraw/zinc/08/47/55/1023084755.db2.gz ZJJJMLIZIJQGJA-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)N(C)C2CCC(C)CC2)cc1 ZINC000341745579 1023189193 /nfs/dbraw/zinc/18/91/93/1023189193.db2.gz QWJWCYKEIWOORY-PYDGXCHUSA-N -1 0 335.513 3.955 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)C1C[C@H]2CC[C@@H](C1)S2)C(=O)[O-] ZINC000909432316 1023193982 /nfs/dbraw/zinc/19/39/82/1023193982.db2.gz UUHLTGBJRZKUKJ-DSZSVDOYSA-N -1 0 327.490 3.591 20 0 EHADRM O=c1nc(-c2nc3ccccc3o2)[n-]c2sc3c(c21)CCSC3 ZINC000439002554 1023201390 /nfs/dbraw/zinc/20/13/90/1023201390.db2.gz GEQOATZGKJTKSH-UHFFFAOYSA-N -1 0 341.417 3.994 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cccn1C1CCCC1)c1ccccc1 ZINC000190472155 1023203930 /nfs/dbraw/zinc/20/39/30/1023203930.db2.gz KPSVMGXLMCQJTM-INIZCTEOSA-N -1 0 326.396 3.549 20 0 EHADRM C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000507293558 1023232305 /nfs/dbraw/zinc/23/23/05/1023232305.db2.gz AQGWIQJGQYIUIB-ZMYBRWDISA-N -1 0 337.419 3.984 20 0 EHADRM O=S(=O)([N-]c1c[nH]nc1-c1ccccc1)c1cc2ccccc2o1 ZINC000536420507 1023260846 /nfs/dbraw/zinc/26/08/46/1023260846.db2.gz PYKNVZWWTDSNJX-UHFFFAOYSA-N -1 0 339.376 3.624 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000518380256 1023266759 /nfs/dbraw/zinc/26/67/59/1023266759.db2.gz XHPAJBVXQGRXDE-LMRVLLHPSA-N -1 0 347.430 3.941 20 0 EHADRM COc1cc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)c(C)cc1C ZINC000684559182 1023324629 /nfs/dbraw/zinc/32/46/29/1023324629.db2.gz UNMLNAJXFLOFOY-HNNXBMFYSA-N -1 0 327.380 3.509 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C)n(-c3ccccc3)n2)s1 ZINC000431168326 1023375428 /nfs/dbraw/zinc/37/54/28/1023375428.db2.gz OTAMFKIXFZLNIW-UHFFFAOYSA-N -1 0 347.465 3.660 20 0 EHADRM CC[C@@](C)(NS(=O)(=O)c1cc(Cl)ccc1C)C(F)(F)F ZINC000548474217 1023423030 /nfs/dbraw/zinc/42/30/30/1023423030.db2.gz GDCIDTQEQYTEGJ-LLVKDONJSA-N -1 0 329.771 3.658 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)cc(C)c1F ZINC000471964798 1023459037 /nfs/dbraw/zinc/45/90/37/1023459037.db2.gz JYFDFBWXLQLVRR-UHFFFAOYSA-N -1 0 347.770 3.741 20 0 EHADRM COCc1cccc(NC(=O)c2ccc(Br)c([O-])c2)c1 ZINC000133042204 1023461584 /nfs/dbraw/zinc/46/15/84/1023461584.db2.gz MBCZPLREUBIELI-UHFFFAOYSA-N -1 0 336.185 3.553 20 0 EHADRM CCCC[C@@H](CC)C(=O)N=c1nc(-c2cccc(OC)c2)[n-]s1 ZINC000476351007 1033137284 /nfs/dbraw/zinc/13/72/84/1033137284.db2.gz PCRHEHXZTPSJOL-GFCCVEGCSA-N -1 0 333.457 3.791 20 0 EHADRM COc1ccc2nc(/C=C/c3cnn4ccccc34)cc(C(=O)[O-])c2c1 ZINC000607436031 1033141356 /nfs/dbraw/zinc/14/13/56/1033141356.db2.gz NLAKTNPEUTUQOS-AATRIKPKSA-N -1 0 345.358 3.760 20 0 EHADRM COc1ccc2nc(/C=C\c3cnn(C(C)C)c3)cc(C(=O)[O-])c2c1 ZINC000607436185 1033142221 /nfs/dbraw/zinc/14/22/21/1033142221.db2.gz RNGDAYUTOICEGY-PLNGDYQASA-N -1 0 337.379 3.889 20 0 EHADRM CC(C)N(Cc1ccco1)C(=O)c1cccc(Br)c1[O-] ZINC000535729658 1023594759 /nfs/dbraw/zinc/59/47/59/1023594759.db2.gz FZKLSMAMRSGVBC-UHFFFAOYSA-N -1 0 338.201 3.799 20 0 EHADRM O=C(Nc1cnc(-c2ccccc2)s1)c1csc(NC2CC2)n1 ZINC000535789282 1023635767 /nfs/dbraw/zinc/63/57/67/1023635767.db2.gz ITSYHHJYZSVASA-UHFFFAOYSA-N -1 0 342.449 3.515 20 0 EHADRM Cc1nc(-c2ccc(S(=O)(=O)NCCC(C)(C)F)s2)cs1 ZINC000657141774 1023647894 /nfs/dbraw/zinc/64/78/94/1023647894.db2.gz PKDZBXKDNZYYLS-UHFFFAOYSA-N -1 0 348.490 3.597 20 0 EHADRM CCCCOc1cccc([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000511260242 1033160301 /nfs/dbraw/zinc/16/03/01/1033160301.db2.gz LRCYOFJJXFDNGR-UHFFFAOYSA-N -1 0 341.379 3.945 20 0 EHADRM COC1CCC(N=c2[n-]nc(Cc3ccc(Cl)cc3)s2)CC1 ZINC000413421905 1023884431 /nfs/dbraw/zinc/88/44/31/1023884431.db2.gz RZISHQHXDGLAAT-UHFFFAOYSA-N -1 0 337.876 3.574 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000909505706 1023964854 /nfs/dbraw/zinc/96/48/54/1023964854.db2.gz ZOIWVEOYGGORNF-PRWOLLLXSA-N -1 0 344.436 3.739 20 0 EHADRM Cc1[n-]n(-c2cc(C)ccc2C)c(=O)c1C(=O)Nc1ccc(C)cc1 ZINC000505417231 1024005350 /nfs/dbraw/zinc/00/53/50/1024005350.db2.gz WLZUJBNADNHTSE-GOSISDBHSA-N -1 0 335.407 3.589 20 0 EHADRM Cc1ccc(NC(=O)c2c(=O)n(-c3ccccc3)[n-]c2C(C)C)s1 ZINC000505420308 1024019829 /nfs/dbraw/zinc/01/98/29/1024019829.db2.gz IRRXKPNFGQXKLK-OAHLLOKOSA-N -1 0 341.436 3.670 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)c1ccc(-c2ccccc2Cl)o1 ZINC000522539598 1024051680 /nfs/dbraw/zinc/05/16/80/1024051680.db2.gz FEKZSOWKYRTKCO-UHFFFAOYSA-N -1 0 339.782 3.942 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2cc(Cl)cc3cccnc32)C1 ZINC000191208398 1024057266 /nfs/dbraw/zinc/05/72/66/1024057266.db2.gz KSKAXWSEWUGHNC-GFCCVEGCSA-N -1 0 346.814 3.605 20 0 EHADRM CC(C)c1n[n-]c(=NCc2c(F)ccc(Br)c2F)s1 ZINC000507774816 1024064463 /nfs/dbraw/zinc/06/44/63/1024064463.db2.gz MNUFTBPSOROMRT-UHFFFAOYSA-N -1 0 348.216 3.736 20 0 EHADRM Cc1ccc(Br)cc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000037368020 1024081038 /nfs/dbraw/zinc/08/10/38/1024081038.db2.gz UUIHLFNUIKWLDV-NEPJUHHUSA-N -1 0 340.217 3.587 20 0 EHADRM CC[C@@H](Cc1ccccc1-c1cc(C(F)(F)F)nn1C)C(=O)[O-] ZINC000657205979 1024094876 /nfs/dbraw/zinc/09/48/76/1024094876.db2.gz RGKPOSLDBPXDBQ-JTQLQIEISA-N -1 0 326.318 3.759 20 0 EHADRM Cc1ccc(-c2[n-][nH]c(=NC(=O)c3csc4c3CCCC4)c2C)o1 ZINC000434497214 1024100810 /nfs/dbraw/zinc/10/08/10/1024100810.db2.gz CPHXUGQCVDOYSQ-UHFFFAOYSA-N -1 0 341.436 3.901 20 0 EHADRM CCCC(=CC(=O)N(C)Cc1ccc(OCC(=O)[O-])cc1)CCC ZINC000909510778 1024102686 /nfs/dbraw/zinc/10/26/86/1024102686.db2.gz XRIFHHLQZKMQNI-UHFFFAOYSA-N -1 0 333.428 3.635 20 0 EHADRM O=C([O-])CCCc1cccc(-c2ccc(O[C@@H]3CCOC3)cc2)c1 ZINC000657204451 1024102875 /nfs/dbraw/zinc/10/28/75/1024102875.db2.gz PYQJRHBKDWPENF-LJQANCHMSA-N -1 0 326.392 3.929 20 0 EHADRM Cn1nc(C(F)(F)F)cc1-c1cc(Cl)ccc1OCCC(=O)[O-] ZINC000657206025 1024104311 /nfs/dbraw/zinc/10/43/11/1024104311.db2.gz XAPLZSXBOPYVLY-UHFFFAOYSA-N -1 0 348.708 3.613 20 0 EHADRM COC[C@@H](C)Oc1cccc(-c2ccc(F)c(C(=O)[O-])c2OC)c1 ZINC000657205280 1024105416 /nfs/dbraw/zinc/10/54/16/1024105416.db2.gz DOSAPPRQGPDYLF-LLVKDONJSA-N -1 0 334.343 3.613 20 0 EHADRM CCc1ncc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2O)s1 ZINC000443532257 1024109530 /nfs/dbraw/zinc/10/95/30/1024109530.db2.gz RZZHLLGMZDIHTG-UHFFFAOYSA-N -1 0 340.470 3.509 20 0 EHADRM COC[C@@H](C)Oc1cccc(-c2ccc3c(c2)[C@@H](C(=O)[O-])CCO3)c1 ZINC000657205368 1024112007 /nfs/dbraw/zinc/11/20/07/1024112007.db2.gz SVLCTEXKHDCFEB-DYVFJYSZSA-N -1 0 342.391 3.718 20 0 EHADRM Cc1cccc(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c1C ZINC000191539517 1024118899 /nfs/dbraw/zinc/11/88/99/1024118899.db2.gz WTYLHBYQQSETQE-KRWDZBQOSA-N -1 0 325.408 3.509 20 0 EHADRM COc1cc(-c2ccccc2O[C@@H](C)C(=O)[O-])cnc1C(F)(F)F ZINC000657206629 1024128621 /nfs/dbraw/zinc/12/86/21/1024128621.db2.gz JENXMAHAOPZMLH-VIFPVBQESA-N -1 0 341.285 3.628 20 0 EHADRM COc1ccc(CO)c(-c2ccc(C3(C(=O)[O-])CCCC3)cc2)c1 ZINC000657208205 1024131074 /nfs/dbraw/zinc/13/10/74/1024131074.db2.gz WWIRWCOANMAOFW-UHFFFAOYSA-N -1 0 326.392 3.751 20 0 EHADRM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(F)(F)F ZINC000443936955 1024134739 /nfs/dbraw/zinc/13/47/39/1024134739.db2.gz ANWUVZGOUOGCFO-MUWHJKNJSA-N -1 0 335.800 3.657 20 0 EHADRM Cc1nc(CNCc2ccccc2OC2CCCC2)ccc1C(=O)[O-] ZINC000277189832 1024143950 /nfs/dbraw/zinc/14/39/50/1024143950.db2.gz FTHYDPATRZLQQM-UHFFFAOYSA-N -1 0 340.423 3.699 20 0 EHADRM CCOc1ccccc1NC(=O)[C@](C)(CC(=O)[O-])c1ccc(F)cc1 ZINC000634815808 1024147076 /nfs/dbraw/zinc/14/70/76/1024147076.db2.gz JWZBMKXXIOYOOZ-LJQANCHMSA-N -1 0 345.370 3.596 20 0 EHADRM CCOC(=O)c1ccc(/C=C\c2nc3ccc(C(=O)[O-])cc3s2)o1 ZINC000431562641 1033191351 /nfs/dbraw/zinc/19/13/51/1033191351.db2.gz XQPOLQZAERAXBB-YVMONPNESA-N -1 0 343.360 3.935 20 0 EHADRM COc1cc(Br)cnc1Nc1cc(C)cc(C(=O)[O-])c1 ZINC001211534821 1024227155 /nfs/dbraw/zinc/22/71/55/1024227155.db2.gz GEWJRJDADJYEPD-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM C[C@@H](CC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21)Cc1cccc(F)c1 ZINC000192944725 1024290560 /nfs/dbraw/zinc/29/05/60/1024290560.db2.gz IOSXZQXXSFFLCT-CXAGYDPISA-N -1 0 341.382 3.609 20 0 EHADRM CCCCn1ncc(C(=O)Nc2cc(F)cc(Cl)c2[O-])c1CC ZINC000430093990 1024356729 /nfs/dbraw/zinc/35/67/29/1024356729.db2.gz JMTIYGHDCUKWDI-UHFFFAOYSA-N -1 0 339.798 3.996 20 0 EHADRM C[C@]12CC3CC(C(=O)NCc4cccc(C(=O)[O-])c4)(C1)C[C@@](C)(C3)C2 ZINC000327236060 1024564251 /nfs/dbraw/zinc/56/42/51/1024564251.db2.gz SGLWVPOQGMSNBX-LVBDODCMSA-N -1 0 341.451 3.998 20 0 EHADRM C[C@@H](CC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC000262131439 1024573450 /nfs/dbraw/zinc/57/34/50/1024573450.db2.gz KTMHBTVQNQMAJX-SCLBCKFNSA-N -1 0 341.382 3.530 20 0 EHADRM CC(C)CN=c1[n-]nc(SCc2cc(C(C)(C)C)on2)s1 ZINC000430136667 1024666526 /nfs/dbraw/zinc/66/65/26/1024666526.db2.gz WVFVIKYUVBBZFV-UHFFFAOYSA-N -1 0 326.491 3.606 20 0 EHADRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1cccc2cccnc21 ZINC000548611392 1024691645 /nfs/dbraw/zinc/69/16/45/1024691645.db2.gz YCFQORWWTDTJEI-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM COCc1cc(NC(=O)C/C=C\c2cccc(F)c2)cc(C(=O)[O-])c1 ZINC000427687433 1024735520 /nfs/dbraw/zinc/73/55/20/1024735520.db2.gz ITBFGIQLMDABNQ-HYXAFXHYSA-N -1 0 343.354 3.712 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2ccc(C(F)F)cc2)CCCCC1 ZINC000909457335 1024739057 /nfs/dbraw/zinc/73/90/57/1024739057.db2.gz CARCWYHNZVODPH-UHFFFAOYSA-N -1 0 325.355 3.779 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cn(C)nc2C(C)C)cc1 ZINC000281222461 1024761298 /nfs/dbraw/zinc/76/12/98/1024761298.db2.gz UBAOXLMRFVQKOG-CYBMUJFWSA-N -1 0 335.473 3.858 20 0 EHADRM CC1(C)COc2cc(NCc3ccc(O)c(F)c3)ccc2NC1=O ZINC000895784680 1024829936 /nfs/dbraw/zinc/82/99/36/1024829936.db2.gz LCKLCWDGESXJSZ-UHFFFAOYSA-N -1 0 330.359 3.501 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCC(F)F)cc1F ZINC000474390592 1024871416 /nfs/dbraw/zinc/87/14/16/1024871416.db2.gz QHOGKJMUUCMBAS-UHFFFAOYSA-N -1 0 345.342 3.579 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(CCOC)ccn2)cc1 ZINC000508112907 1024891274 /nfs/dbraw/zinc/89/12/74/1024891274.db2.gz OVEBOEMVOOPLTB-AWEZNQCLSA-N -1 0 348.468 3.585 20 0 EHADRM C[C@H](NC(=O)N(C)C1(C(=O)[O-])CCCCC1)c1cc2ccccc2o1 ZINC000684714415 1024906515 /nfs/dbraw/zinc/90/65/15/1024906515.db2.gz KNSVVNNAHGGZRQ-ZDUSSCGKSA-N -1 0 344.411 3.923 20 0 EHADRM CC[C@H](CC(=O)NCCCCCCC(=O)[O-])c1ccc(OC)cc1 ZINC000281334607 1024908155 /nfs/dbraw/zinc/90/81/55/1024908155.db2.gz LGJUOGZWHFQQMB-OAHLLOKOSA-N -1 0 335.444 3.730 20 0 EHADRM CCCC(=O)Nc1ccc(CNC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000053452340 1024958220 /nfs/dbraw/zinc/95/82/20/1024958220.db2.gz PRUKZMHJNUOXCU-UHFFFAOYSA-N -1 0 346.814 3.714 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)[C@H]3CC3(C)C)n2)cc1 ZINC000428082441 1024963181 /nfs/dbraw/zinc/96/31/81/1024963181.db2.gz ZQJRCJOYFNHQAQ-INIZCTEOSA-N -1 0 327.428 3.572 20 0 EHADRM C[C@](NS(=O)(=O)c1csc2ccccc21)(C1CC1)C(F)(F)F ZINC000508214731 1024964503 /nfs/dbraw/zinc/96/45/03/1024964503.db2.gz MPINWTYUBHWYGC-ZDUSSCGKSA-N -1 0 349.399 3.911 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2noc3ccccc32)c1C ZINC000508214697 1024964954 /nfs/dbraw/zinc/96/49/54/1024964954.db2.gz MICDEQTXODNZMI-UHFFFAOYSA-N -1 0 330.409 3.862 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(Cl)c(C)c2)c1 ZINC000515032903 1024973822 /nfs/dbraw/zinc/97/38/22/1024973822.db2.gz QLLFCTBYFLXUBH-MRXNPFEDSA-N -1 0 347.798 3.603 20 0 EHADRM COc1ccc(O[C@@H](C)C(=O)Nc2cc(F)cc(Cl)c2[O-])cc1 ZINC000474445376 1024979464 /nfs/dbraw/zinc/97/94/64/1024979464.db2.gz LSKNWRPDXPMQSA-VIFPVBQESA-N -1 0 339.750 3.599 20 0 EHADRM CSc1cccnc1NC(=O)c1cnc2onc(C(C)C)c2c1 ZINC000652876329 1025030497 /nfs/dbraw/zinc/03/04/97/1025030497.db2.gz SNUTXIRCXHEFOT-UHFFFAOYSA-N -1 0 328.397 3.715 20 0 EHADRM Cc1ccc(C(C)(C)C)cc1S([O-])=CC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000520805590 1025064575 /nfs/dbraw/zinc/06/45/75/1025064575.db2.gz MWQWVCVXJFZOAT-KAEOHJDDSA-N -1 0 349.540 3.905 20 0 EHADRM O=C([O-])CN(CCc1ccccc1)Cc1csc(C2CCCC2)n1 ZINC000515198112 1025083478 /nfs/dbraw/zinc/08/34/78/1025083478.db2.gz VKVOXCKYGZATOV-UHFFFAOYSA-N -1 0 344.480 3.930 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)c2cccc(OC3CCCC3)c2)s[n-]1 ZINC000520864135 1025102862 /nfs/dbraw/zinc/10/28/62/1025102862.db2.gz SADMQLOZMPVZLT-UHFFFAOYSA-N -1 0 345.468 3.831 20 0 EHADRM Cc1cccc([C@H](C)CNC(=O)N(CC(=O)[O-])C2CCCCC2)c1 ZINC000684737966 1025127794 /nfs/dbraw/zinc/12/77/94/1025127794.db2.gz YGNIZOBJSQUXKZ-OAHLLOKOSA-N -1 0 332.444 3.527 20 0 EHADRM Cc1nc2cc([N-]S(=O)(=O)c3ccc(F)cc3Cl)ccc2o1 ZINC000119669105 1025165783 /nfs/dbraw/zinc/16/57/83/1025165783.db2.gz DLMQKYFKHDOYCA-UHFFFAOYSA-N -1 0 340.763 3.730 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1cccnc1C(F)(F)F ZINC000351975918 1025167647 /nfs/dbraw/zinc/16/76/47/1025167647.db2.gz RIBVVLBVYNBRMG-UHFFFAOYSA-N -1 0 334.656 3.851 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N2CC(C)(C)[C@@H]2c2ccco2)s1 ZINC000639454155 1025173075 /nfs/dbraw/zinc/17/30/75/1025173075.db2.gz DZBDKGAZLVBAHI-ZDUSSCGKSA-N -1 0 334.445 3.511 20 0 EHADRM O=C([O-])CN(C(=O)Nc1cccc(-c2ncco2)c1)C1CCCCC1 ZINC000684749741 1025266519 /nfs/dbraw/zinc/26/65/19/1025266519.db2.gz PZJKYTQFOFMKJY-UHFFFAOYSA-N -1 0 343.383 3.593 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc1 ZINC000436009501 1025288136 /nfs/dbraw/zinc/28/81/36/1025288136.db2.gz UQCSOJPHNIOKRM-UHFFFAOYSA-N -1 0 349.305 3.654 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1ccc2ccn(C)c2c1 ZINC000436018867 1025320799 /nfs/dbraw/zinc/32/07/99/1025320799.db2.gz ADQYXUVLFLYNTO-UHFFFAOYSA-N -1 0 332.450 3.701 20 0 EHADRM COc1ccc(-c2csc(N3CCCCCC3)n2)c2occ([O-])c21 ZINC000521322734 1025329097 /nfs/dbraw/zinc/32/90/97/1025329097.db2.gz IDSLRBWEAGWJCO-UHFFFAOYSA-N -1 0 344.436 3.774 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)N2CC(C(C)(C)C)C2)s[n-]1 ZINC000521352087 1025346917 /nfs/dbraw/zinc/34/69/17/1025346917.db2.gz MLZPULLMIIOIOS-UHFFFAOYSA-N -1 0 336.486 3.507 20 0 EHADRM C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC000614727532 1025357291 /nfs/dbraw/zinc/35/72/91/1025357291.db2.gz HSDZYJWFTQECGG-DOMZBBRYSA-N -1 0 337.379 3.542 20 0 EHADRM CCC[C@H](C(=O)[O-])[S@](=O)[C@H](C)c1ccc(Br)cc1 ZINC000515605109 1025399829 /nfs/dbraw/zinc/39/98/29/1025399829.db2.gz SSPXFRSPXGIKMW-YHRQMHJJSA-N -1 0 333.247 3.512 20 0 EHADRM CC(C)(CC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)CC(F)(F)F ZINC000909487896 1025445245 /nfs/dbraw/zinc/44/52/45/1025445245.db2.gz NWCJDYSRBXGFLN-LLVKDONJSA-N -1 0 337.382 3.705 20 0 EHADRM Cc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(OC(C)C)nc1 ZINC000515651519 1025453531 /nfs/dbraw/zinc/45/35/31/1025453531.db2.gz UIUBPYVEXIMQIZ-UHFFFAOYSA-N -1 0 340.832 3.631 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc(Sc2ccccn2)cc1 ZINC000442747166 1025463724 /nfs/dbraw/zinc/46/37/24/1025463724.db2.gz WGLIQBLUPYWGIY-CYBMUJFWSA-N -1 0 344.436 3.558 20 0 EHADRM CC(C)Oc1ccccc1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000262383392 1025484483 /nfs/dbraw/zinc/48/44/83/1025484483.db2.gz KVLYSADKOPJXAI-UHFFFAOYSA-N -1 0 327.380 3.743 20 0 EHADRM COCc1ccccc1S(=O)(=O)[N-]c1ccccc1C(C)(F)F ZINC000451079467 1025502999 /nfs/dbraw/zinc/50/29/99/1025502999.db2.gz ANLQBASEJBEMDD-UHFFFAOYSA-N -1 0 341.379 3.746 20 0 EHADRM Cc1cc([N-]C(=O)c2nc([C@H](c3cccc(C)c3)C(C)C)no2)no1 ZINC000685395460 1033287190 /nfs/dbraw/zinc/28/71/90/1033287190.db2.gz TZZBRAYSWFEDKP-HNNXBMFYSA-N -1 0 340.383 3.715 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)N=c1cc(C)c(C)n[n-]1 ZINC000467467752 1025527304 /nfs/dbraw/zinc/52/73/04/1025527304.db2.gz ILUKPSBGSYXJNF-SFHVURJKSA-N -1 0 340.471 3.699 20 0 EHADRM CC(C)[C@H](NC(=O)N=c1[n-]nc(C(C)(C)C)s1)c1ccccc1 ZINC000515800089 1025626702 /nfs/dbraw/zinc/62/67/02/1025626702.db2.gz MKGBMJFIHSVUNH-ZDUSSCGKSA-N -1 0 332.473 3.776 20 0 EHADRM Cc1ccc(Cc2n[n-]c(=NC(=O)N[C@@H]3CCC[C@@H](C)C3)s2)cc1 ZINC000521748083 1025634818 /nfs/dbraw/zinc/63/48/18/1025634818.db2.gz LASBWEBYRSCSAR-UKRRQHHQSA-N -1 0 344.484 3.559 20 0 EHADRM O=C(NCc1ncccc1O)Nc1ccc(-c2ccco2)cc1F ZINC000347220973 1025665231 /nfs/dbraw/zinc/66/52/31/1025665231.db2.gz CIYVLLYKFXGAGM-UHFFFAOYSA-N -1 0 327.315 3.508 20 0 EHADRM CC(C)(C)CS(=O)(=O)[N-][C@H](CCc1ccccc1)C(F)(F)F ZINC000443038540 1025673998 /nfs/dbraw/zinc/67/39/98/1025673998.db2.gz OWODBVIFSHWBSC-CYBMUJFWSA-N -1 0 337.407 3.516 20 0 EHADRM O=C(Nc1cc(Br)cc(Cl)c1[O-])c1cncc(F)c1 ZINC000342471593 1025713667 /nfs/dbraw/zinc/71/36/67/1025713667.db2.gz IOSDZEGEDOZTTQ-UHFFFAOYSA-N -1 0 345.555 3.595 20 0 EHADRM CC[C@@H](NC(=O)NC[C@H](C(=O)[O-])C1CCC1)c1ccc(Cl)s1 ZINC000665304706 1025714576 /nfs/dbraw/zinc/71/45/76/1025714576.db2.gz GBXIXUZOTVGGOA-WDEREUQCSA-N -1 0 344.864 3.653 20 0 EHADRM CCOCC1(C(=O)Nc2cc(Br)cc(Cl)c2[O-])CC1 ZINC000281931297 1025725266 /nfs/dbraw/zinc/72/52/66/1025725266.db2.gz KJWNQWOVNDRCOW-UHFFFAOYSA-N -1 0 348.624 3.563 20 0 EHADRM Cc1cccc2cc(C(=O)N=c3nc(-c4ccsc4)[n-]s3)oc21 ZINC000521834266 1025726344 /nfs/dbraw/zinc/72/63/44/1025726344.db2.gz XTXUAEIHRAHMLV-UHFFFAOYSA-N -1 0 341.417 3.995 20 0 EHADRM CCCC[C@H](NC(=O)[C@H](C)c1ccc2cc(OC)ccc2c1)C(=O)[O-] ZINC000347258900 1025750718 /nfs/dbraw/zinc/75/07/18/1025750718.db2.gz JMOQBFSZAOIAFW-ACJLOTCBSA-N -1 0 343.423 3.712 20 0 EHADRM CCCC[C@H](NC(=O)C1(c2c(Cl)cccc2Cl)CC1)C(=O)[O-] ZINC000347260113 1025754876 /nfs/dbraw/zinc/75/48/76/1025754876.db2.gz KYDKHMNWZNMTBI-LBPRGKRZSA-N -1 0 344.238 3.785 20 0 EHADRM O=C([O-])CCC[S@@](=O)c1ccc(-c2cccc3c2CCC3)cc1 ZINC000521900261 1025755725 /nfs/dbraw/zinc/75/57/25/1025755725.db2.gz HTKYDYSTPLGCHX-HSZRJFAPSA-N -1 0 328.433 3.815 20 0 EHADRM CCCC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000347265405 1025764944 /nfs/dbraw/zinc/76/49/44/1025764944.db2.gz JVJGHCIGKVYMDW-DYEKYZERSA-N -1 0 343.345 3.569 20 0 EHADRM C[C@H](CC(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccc(F)cc1F ZINC000191058182 1025779896 /nfs/dbraw/zinc/77/98/96/1025779896.db2.gz ALXVRMTYIAKCCF-SECBINFHSA-N -1 0 337.297 3.934 20 0 EHADRM CCCC[C@H](NC(=O)C1(c2cccc(F)c2)CCCCC1)C(=O)[O-] ZINC000347264189 1025780191 /nfs/dbraw/zinc/78/01/91/1025780191.db2.gz RBKQWMPDCDLLFB-INIZCTEOSA-N -1 0 335.419 3.787 20 0 EHADRM CC[C@H](C)OCC(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000342481274 1025797095 /nfs/dbraw/zinc/79/70/95/1025797095.db2.gz WWBQNCLPFQNTIA-ZETCQYMHSA-N -1 0 336.613 3.562 20 0 EHADRM CC(C)Oc1cccc([C@H](C)NC(=O)CC2(C(=O)[O-])CCCC2)c1 ZINC000324425224 1025804449 /nfs/dbraw/zinc/80/44/49/1025804449.db2.gz ZSWKCVIAYQJCND-AWEZNQCLSA-N -1 0 333.428 3.686 20 0 EHADRM CCC[C@@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CCO1 ZINC000436531404 1025838833 /nfs/dbraw/zinc/83/88/33/1025838833.db2.gz HXGMUBDJKUUNEI-GFCCVEGCSA-N -1 0 333.815 3.840 20 0 EHADRM COC(=O)c1ccc(O)c(NC(=O)[C@H](C)Sc2ccc(C)cc2)c1 ZINC000436517174 1025847171 /nfs/dbraw/zinc/84/71/71/1025847171.db2.gz YKBGMHWGLQXKIG-LBPRGKRZSA-N -1 0 345.420 3.607 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCC[C@@H]2COCC[C@H]21 ZINC000436577119 1025880976 /nfs/dbraw/zinc/88/09/76/1025880976.db2.gz RIDFEQKAWKKXQS-SJKOYZFVSA-N -1 0 345.826 3.840 20 0 EHADRM CCc1ccc(-c2nc(CN3CCCC[C@H]3C(=O)[O-])cs2)cc1 ZINC000158381516 1025883529 /nfs/dbraw/zinc/88/35/29/1025883529.db2.gz VJQWBUUCVOWVSH-INIZCTEOSA-N -1 0 330.453 3.812 20 0 EHADRM O=C(Nc1ccc(Cn2cccn2)cc1)c1cc(Cl)ccc1[O-] ZINC000436561921 1025887069 /nfs/dbraw/zinc/88/70/69/1025887069.db2.gz LKICWOZKFXUYPT-UHFFFAOYSA-N -1 0 327.771 3.543 20 0 EHADRM CC(C)Cc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000127376099 1025909471 /nfs/dbraw/zinc/90/94/71/1025909471.db2.gz VACMNZYACFAYNU-SFHVURJKSA-N -1 0 326.440 3.656 20 0 EHADRM CCc1c(NC(=O)c2c([O-])cccc2F)cnn1-c1ccccc1C ZINC000436593334 1025911158 /nfs/dbraw/zinc/91/11/58/1025911158.db2.gz DJALKLOZTGKTBJ-UHFFFAOYSA-N -1 0 339.370 3.840 20 0 EHADRM O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1ccc(Cl)c(Cl)c1[O-] ZINC000436595505 1025913772 /nfs/dbraw/zinc/91/37/72/1025913772.db2.gz ITGKHBKEOROKPH-OSAQELSMSA-N -1 0 334.202 3.767 20 0 EHADRM O=C(CC1(C(=O)[O-])CCC1)NC1c2ccccc2Oc2ccccc21 ZINC000530487229 1025925167 /nfs/dbraw/zinc/92/51/67/1025925167.db2.gz QAKHCVCSCBMRCN-UHFFFAOYSA-N -1 0 337.375 3.643 20 0 EHADRM O=C(NC[C@@H]1CCC2(CCCCC2)O1)c1cc(F)c([O-])c(Cl)c1 ZINC000436601459 1025933612 /nfs/dbraw/zinc/93/36/12/1025933612.db2.gz BWTCDMZDYNTNGF-LBPRGKRZSA-N -1 0 341.810 3.796 20 0 EHADRM Cc1cc(CCNC(=O)c2cc(F)c([O-])c(F)c2)ccc1Cl ZINC000436633596 1025962176 /nfs/dbraw/zinc/96/21/76/1025962176.db2.gz KZAXDFBNYPQKER-UHFFFAOYSA-N -1 0 325.742 3.605 20 0 EHADRM O=C(c1ccc(O)cc1O)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000436635155 1025963684 /nfs/dbraw/zinc/96/36/84/1025963684.db2.gz MSEIXZACCZCCAV-MRXNPFEDSA-N -1 0 333.334 3.743 20 0 EHADRM O=C(C(=O)N1CC=C(c2cccc(Cl)c2)CC1)c1ccc(O)cc1 ZINC000436635442 1025964443 /nfs/dbraw/zinc/96/44/43/1025964443.db2.gz NJZHIMAPPOCIEZ-UHFFFAOYSA-N -1 0 341.794 3.544 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cn[nH]c2-c2ccsc2)c1 ZINC000436653545 1025982455 /nfs/dbraw/zinc/98/24/55/1025982455.db2.gz AUPVZNPKXNMHDO-UHFFFAOYSA-N -1 0 341.392 3.689 20 0 EHADRM C[C@@H](OCCCNC(=O)c1ccc(Cl)cc1O)c1ccccc1 ZINC000436656041 1025984691 /nfs/dbraw/zinc/98/46/91/1025984691.db2.gz FMWKJVXOESRHAP-CYBMUJFWSA-N -1 0 333.815 3.943 20 0 EHADRM O=C(CCc1ccc(Cl)s1)N=c1nc(-c2ccccc2)[n-]s1 ZINC000614689221 1025988352 /nfs/dbraw/zinc/98/83/52/1025988352.db2.gz FUEKUHYRHOAFLS-UHFFFAOYSA-N -1 0 349.868 3.913 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cnn(-c3ccccc3)c2C)c1 ZINC000436643812 1025992089 /nfs/dbraw/zinc/99/20/89/1025992089.db2.gz GNCAICYIAUXFTO-UHFFFAOYSA-N -1 0 349.390 3.731 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)Cc2ccccc2SC)c1 ZINC000436647482 1025996690 /nfs/dbraw/zinc/99/66/90/1025996690.db2.gz QNJVBCYQNMQPMG-UHFFFAOYSA-N -1 0 329.421 3.888 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCCc3c(O)cccc32)c1 ZINC000436648275 1026000130 /nfs/dbraw/zinc/00/01/30/1026000130.db2.gz SRFMTYXLBOXOHE-OAHLLOKOSA-N -1 0 339.391 3.749 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)cc1O ZINC000436663158 1026003963 /nfs/dbraw/zinc/00/39/63/1026003963.db2.gz FQIJREBVFHILRP-UHFFFAOYSA-N -1 0 349.390 3.611 20 0 EHADRM CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000436674292 1026017040 /nfs/dbraw/zinc/01/70/40/1026017040.db2.gz UZVYSENEXYOXEU-NSHDSACASA-N -1 0 346.814 3.826 20 0 EHADRM C[C@H](CCO)C1(CNC(=O)c2c([O-])cc(Cl)cc2Cl)CCC1 ZINC000436678490 1026027233 /nfs/dbraw/zinc/02/72/33/1026027233.db2.gz BTSKMQVUZRQBDV-SNVBAGLBSA-N -1 0 346.254 3.618 20 0 EHADRM O=C(c1ccc(F)cc1[O-])N1CCC(c2c(F)cccc2F)CC1 ZINC000436677149 1026027459 /nfs/dbraw/zinc/02/74/59/1026027459.db2.gz BPJFLXRZOWKHHF-UHFFFAOYSA-N -1 0 335.325 3.829 20 0 EHADRM C[C@@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1ccc2n[nH]cc2c1 ZINC000436698887 1026057130 /nfs/dbraw/zinc/05/71/30/1026057130.db2.gz OAVJWDRXDZCSDD-MRVPVSSYSA-N -1 0 333.750 3.552 20 0 EHADRM O=c1[n-]c([C@H]2CCCCN2CCc2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000329610912 1026074966 /nfs/dbraw/zinc/07/49/66/1026074966.db2.gz RFGFEAMMAVKIAK-CYBMUJFWSA-N -1 0 341.242 3.587 20 0 EHADRM O=C(NCC1(Cc2ccc(F)cc2)CC1)c1ccc([O-])c(Cl)c1 ZINC000436719563 1026091348 /nfs/dbraw/zinc/09/13/48/1026091348.db2.gz IGONEJYYXJGEPY-UHFFFAOYSA-N -1 0 333.790 3.937 20 0 EHADRM Cc1ccc2c(c1)CCN(C(=O)c1cccc(Br)c1[O-])C2 ZINC000520686378 1026102745 /nfs/dbraw/zinc/10/27/45/1026102745.db2.gz ZAYKEVFSIKLEHV-UHFFFAOYSA-N -1 0 346.224 3.662 20 0 EHADRM CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)c1cccc(F)c1[O-] ZINC000934442488 1026128514 /nfs/dbraw/zinc/12/85/14/1026128514.db2.gz RZWGYUHYZSVSOR-KRWDZBQOSA-N -1 0 349.377 3.502 20 0 EHADRM Cc1cc(C)n(-c2cccc(NC(=O)c3c([O-])cccc3F)c2)n1 ZINC000436748225 1026137341 /nfs/dbraw/zinc/13/73/41/1026137341.db2.gz DXPSENTTZBEJCM-UHFFFAOYSA-N -1 0 325.343 3.586 20 0 EHADRM O=C([O-])CCCCC(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000342543922 1026204166 /nfs/dbraw/zinc/20/41/66/1026204166.db2.gz JPABPJVBXXBNLY-CYBMUJFWSA-N -1 0 337.725 3.705 20 0 EHADRM O=S(=O)([N-]c1noc2cc(Cl)ccc21)c1cc(F)ccc1F ZINC000582443366 1026279669 /nfs/dbraw/zinc/27/96/69/1026279669.db2.gz KUDVOQSIDYBJIM-UHFFFAOYSA-N -1 0 344.726 3.560 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000324762007 1026313249 /nfs/dbraw/zinc/31/32/49/1026313249.db2.gz WJFNSNTXJZLNNI-HNNXBMFYSA-N -1 0 348.761 3.695 20 0 EHADRM Cc1ccc(C)c(OCCCCC(=O)N(CCC(=O)[O-])C(C)C)c1 ZINC000262449457 1026331623 /nfs/dbraw/zinc/33/16/23/1026331623.db2.gz QUUOZCKXWZOOKK-UHFFFAOYSA-N -1 0 335.444 3.564 20 0 EHADRM O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1c([O-])cc(F)cc1F ZINC000127761664 1026428440 /nfs/dbraw/zinc/42/84/40/1026428440.db2.gz KWTRKSOJUPLAQF-ACJLOTCBSA-N -1 0 347.361 3.568 20 0 EHADRM COC(=O)c1cnc2ccc(Nc3cc(C)cc(C(=O)[O-])c3)cc2c1 ZINC001211547041 1026429056 /nfs/dbraw/zinc/42/90/56/1026429056.db2.gz BSTCBJQHRJVLGL-UHFFFAOYSA-N -1 0 336.347 3.772 20 0 EHADRM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1cccc(C2CCC2)c1 ZINC000684899174 1026481856 /nfs/dbraw/zinc/48/18/56/1026481856.db2.gz FNWGKKDEAYKDMQ-UHFFFAOYSA-N -1 0 335.363 3.550 20 0 EHADRM Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2ccccc2F)s1 ZINC000122533057 1026529642 /nfs/dbraw/zinc/52/96/42/1026529642.db2.gz YTUPWCBYUSEUHA-UHFFFAOYSA-N -1 0 328.434 3.590 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1ccc(Cl)cc1C ZINC000192901680 1026616644 /nfs/dbraw/zinc/61/66/44/1026616644.db2.gz LMGJDICUPGVIOH-INIZCTEOSA-N -1 0 331.799 3.903 20 0 EHADRM CC[C@@H]1CCCCCN1C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000531342077 1026829207 /nfs/dbraw/zinc/82/92/07/1026829207.db2.gz QCSIXVHXNKOBDY-CQSZACIVSA-N -1 0 330.457 3.814 20 0 EHADRM CCO[C@H]1CCN(C(=O)c2c([O-])cc(Cl)cc2Cl)C[C@@H]1C ZINC000452827787 1027046834 /nfs/dbraw/zinc/04/68/34/1027046834.db2.gz MBZCNNROWXCQSX-ZANVPECISA-N -1 0 332.227 3.586 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NCc2csc(C(C)(C)C)n2)o1 ZINC000453052403 1027291677 /nfs/dbraw/zinc/29/16/77/1027291677.db2.gz OTRHKUPLAAJERF-UHFFFAOYSA-N -1 0 346.431 3.972 20 0 EHADRM CCOc1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000614739439 1027320465 /nfs/dbraw/zinc/32/04/65/1027320465.db2.gz TWOLPDWTNNYJTN-UHFFFAOYSA-N -1 0 329.780 3.679 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)c2ccc(Cl)c(OC)c2)n1 ZINC000414441998 1027355898 /nfs/dbraw/zinc/35/58/98/1027355898.db2.gz KMXNTFQASWYEJA-UHFFFAOYSA-N -1 0 346.861 3.558 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2ccc(C)s2)cc1OC(C)C ZINC000273604676 1027515417 /nfs/dbraw/zinc/51/54/17/1027515417.db2.gz KCVJRFQFLOMTRA-UHFFFAOYSA-N -1 0 341.454 3.653 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(OC)cc1C ZINC000614759818 1027541532 /nfs/dbraw/zinc/54/15/32/1027541532.db2.gz QDJDQWCKAKFWFB-UHFFFAOYSA-N -1 0 335.425 3.593 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000685019166 1027542007 /nfs/dbraw/zinc/54/20/07/1027542007.db2.gz QKFPVTSTAODSQE-UHFFFAOYSA-N -1 0 331.799 3.766 20 0 EHADRM COc1ccc(CCC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC000262524535 1027597757 /nfs/dbraw/zinc/59/77/57/1027597757.db2.gz OIMMGUYDZCKKOO-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)c2ccc(Cl)cc2)s[n-]1 ZINC000472255794 1027600320 /nfs/dbraw/zinc/60/03/20/1027600320.db2.gz ILYFCEDNGRZDTQ-UHFFFAOYSA-N -1 0 335.841 3.903 20 0 EHADRM O=C([O-])C1(CC(=O)NC[C@H]2CSc3ccccc32)CCCCCC1 ZINC000582772619 1027644550 /nfs/dbraw/zinc/64/45/50/1027644550.db2.gz RIEJMZCIUVIZIR-AWEZNQCLSA-N -1 0 347.480 3.807 20 0 EHADRM O=C([O-])C1(CC(=O)NCCCCCc2ccc(F)cc2)CCCC1 ZINC000487496929 1027650525 /nfs/dbraw/zinc/65/05/25/1027650525.db2.gz DIZRPTBWIYCSBW-UHFFFAOYSA-N -1 0 335.419 3.690 20 0 EHADRM C[C@@H](Sc1n[n-]c(=NC2CCCCC2)s1)C(=O)OC(C)(C)C ZINC000609960458 1027653595 /nfs/dbraw/zinc/65/35/95/1027653595.db2.gz QLPFPBGZAXQYPU-SNVBAGLBSA-N -1 0 343.518 3.527 20 0 EHADRM COc1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])c1OC ZINC000389428414 1027706629 /nfs/dbraw/zinc/70/66/29/1027706629.db2.gz DMOHXAJPTXYVSN-UHFFFAOYSA-N -1 0 342.178 3.969 20 0 EHADRM CCc1csc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)n1 ZINC000414469243 1027708986 /nfs/dbraw/zinc/70/89/86/1027708986.db2.gz IEVYNBVGVDIAHM-UHFFFAOYSA-N -1 0 336.360 3.525 20 0 EHADRM Cc1ccc(N(CCC(=O)[O-])C(=O)N(C)Cc2ccccc2)cc1 ZINC000274963679 1027859145 /nfs/dbraw/zinc/85/91/45/1027859145.db2.gz JMKFOBJMYKEAAE-UHFFFAOYSA-N -1 0 326.396 3.528 20 0 EHADRM C[C@@H](CNC(=O)CC1(C(=O)[O-])CCC1)c1c(Cl)cccc1Cl ZINC000262555382 1027987052 /nfs/dbraw/zinc/98/70/52/1027987052.db2.gz UTMWSOFIIZVVDA-JTQLQIEISA-N -1 0 344.238 3.858 20 0 EHADRM Cc1cc(C)cc(Oc2ccc([N-]S(=O)(=O)c3cn[nH]c3)cc2)c1 ZINC000511208483 1028034468 /nfs/dbraw/zinc/03/44/68/1028034468.db2.gz KRJXNJLGLSVLDN-UHFFFAOYSA-N -1 0 343.408 3.620 20 0 EHADRM COc1ccccc1N=c1[n-]nc(S[C@@H](C)c2cccnc2)s1 ZINC000523242256 1028052300 /nfs/dbraw/zinc/05/23/00/1028052300.db2.gz PEFYOEDBOOXUNV-NSHDSACASA-N -1 0 344.465 3.961 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2cccc(Br)n2)c1 ZINC001211958420 1028170203 /nfs/dbraw/zinc/17/02/03/1028170203.db2.gz QACZSLJYMWWCBY-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccnc1OC(C)C ZINC000614843365 1028170418 /nfs/dbraw/zinc/17/04/18/1028170418.db2.gz GPAILKRXNQRWCQ-UHFFFAOYSA-N -1 0 340.832 3.631 20 0 EHADRM N#Cc1ccc(C(=O)[O-])nc1/C=C/c1csc(Br)c1 ZINC000078753577 1028191238 /nfs/dbraw/zinc/19/12/38/1028191238.db2.gz WYRFOVZXMQWQJI-HNQUOIGGSA-N -1 0 335.182 3.646 20 0 EHADRM Cc1ccc(C[C@H](C)NS(=O)(=O)c2cccc(Cl)c2F)s1 ZINC000523418376 1028316516 /nfs/dbraw/zinc/31/65/16/1028316516.db2.gz PYMFKJICLDBVRJ-VIFPVBQESA-N -1 0 347.864 3.759 20 0 EHADRM Cc1ccc(F)c(-c2cc(=NC(=O)C3CCC(F)(F)CC3)[nH][nH]2)c1 ZINC000444814266 1028317179 /nfs/dbraw/zinc/31/71/79/1028317179.db2.gz SYIZDDIFOKWIDP-UHFFFAOYSA-N -1 0 337.345 3.710 20 0 EHADRM CC(C)c1nc2cc(NC(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)ccc2o1 ZINC000582942814 1028336423 /nfs/dbraw/zinc/33/64/23/1028336423.db2.gz SUULPMOUPKYQOY-HAQNSBGRSA-N -1 0 330.384 3.781 20 0 EHADRM Cc1c(Nc2cc(F)cnc2Br)cccc1C(=O)[O-] ZINC001216657433 1028338351 /nfs/dbraw/zinc/33/83/51/1028338351.db2.gz ABRQUDDXIVCDQA-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)c(C)n1C1CC1 ZINC000139454010 1028384974 /nfs/dbraw/zinc/38/49/74/1028384974.db2.gz HXBGMCAWLPFABQ-SFHVURJKSA-N -1 0 340.423 3.776 20 0 EHADRM CN1Cc2c(Nc3cc(Cl)cc(C(=O)[O-])c3)cccc2NC1=O ZINC001211969381 1028426551 /nfs/dbraw/zinc/42/65/51/1028426551.db2.gz GUDHFZPTESDUJG-UHFFFAOYSA-N -1 0 331.759 3.759 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2c(F)cccc2OC2COC2)c1 ZINC001211969462 1028435590 /nfs/dbraw/zinc/43/55/90/1028435590.db2.gz KMHGQWGWVBGMGY-UHFFFAOYSA-N -1 0 337.734 3.699 20 0 EHADRM c1coc(COCc2cccc(CN=c3[n-]nc(C4CC4)s3)c2)c1 ZINC000532717883 1028483493 /nfs/dbraw/zinc/48/34/93/1028483493.db2.gz YNGGPQMJBGOKQO-UHFFFAOYSA-N -1 0 341.436 3.759 20 0 EHADRM O=C([O-])C1(CNC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)CCCCC1 ZINC000261841466 1028513031 /nfs/dbraw/zinc/51/30/31/1028513031.db2.gz ITRNPCZOCPHLNQ-RYUDHWBXSA-N -1 0 335.366 3.506 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N(C)CC(C)C)s1)c1ccccc1 ZINC000561044349 1028555079 /nfs/dbraw/zinc/55/50/79/1028555079.db2.gz CNFVGNUMGPVQFK-CQSZACIVSA-N -1 0 332.473 3.622 20 0 EHADRM CC[C@H](C)c1cc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])on1 ZINC000236902460 1028602535 /nfs/dbraw/zinc/60/25/35/1028602535.db2.gz WVDDLSQCUYEPOP-UONOGXRCSA-N -1 0 344.411 3.551 20 0 EHADRM CCC[C@H](NC(=O)c1ccc(C(=O)[O-])s1)c1ccc(F)cc1F ZINC000237010924 1028616390 /nfs/dbraw/zinc/61/63/90/1028616390.db2.gz TYVQGPYJNNYUHU-LBPRGKRZSA-N -1 0 339.363 3.996 20 0 EHADRM Cc1cc(-c2noc(-c3ccc([O-])c(Cl)c3)n2)cc2[nH]cnc21 ZINC000445227834 1028621446 /nfs/dbraw/zinc/62/14/46/1028621446.db2.gz IZNWKJZWUCNOTC-UHFFFAOYSA-N -1 0 326.743 3.947 20 0 EHADRM COc1cc(C(=O)N2CC[C@H](c3ccccc3)C2)cc(Cl)c1O ZINC000153692110 1028625318 /nfs/dbraw/zinc/62/53/18/1028625318.db2.gz AWQSETZUPGWBFZ-ZDUSSCGKSA-N -1 0 331.799 3.684 20 0 EHADRM Cc1ccc2cccc([N-]S(=O)(=O)CCc3ccccc3)c2n1 ZINC000074858944 1028636055 /nfs/dbraw/zinc/63/60/55/1028636055.db2.gz FJQZLUSZZOLERS-UHFFFAOYSA-N -1 0 326.421 3.528 20 0 EHADRM Cc1ccc(CNC(=O)c2ccccc2S[C@H](C)C(=O)[O-])cc1F ZINC000237377500 1028649562 /nfs/dbraw/zinc/64/95/62/1028649562.db2.gz SLEQFLRGHUAKSB-GFCCVEGCSA-N -1 0 347.411 3.629 20 0 EHADRM Cc1cc(F)ccc1NC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000237384075 1028649680 /nfs/dbraw/zinc/64/96/80/1028649680.db2.gz QRDURNMVNVXUPF-LLVKDONJSA-N -1 0 333.384 3.952 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)c1ccc2ncccc2c1)C(=O)[O-] ZINC000237410966 1028650199 /nfs/dbraw/zinc/65/01/99/1028650199.db2.gz INBIYPNDTGDHGG-OAHLLOKOSA-N -1 0 348.402 3.598 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)C/C=C/c2ccc(F)cc2)sc1C(=O)[O-] ZINC000237484766 1028653041 /nfs/dbraw/zinc/65/30/41/1028653041.db2.gz CBYIRCROOOTIHE-PGLGOXFNSA-N -1 0 348.399 3.570 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(C(=O)N[C@@H](C)CC(=O)[O-])cc1F ZINC000237469882 1028654059 /nfs/dbraw/zinc/65/40/59/1028654059.db2.gz OCQLAJRDJOPYDJ-NSHDSACASA-N -1 0 333.334 3.533 20 0 EHADRM Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc(C(=O)[O-])s2)n1 ZINC000237678955 1028661696 /nfs/dbraw/zinc/66/16/96/1028661696.db2.gz JQWIXCKLTAKGJX-UHFFFAOYSA-N -1 0 341.392 3.501 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000237792082 1028664440 /nfs/dbraw/zinc/66/44/40/1028664440.db2.gz QUPNQLNUCLQCAG-HYBGQWMJSA-N -1 0 327.405 3.897 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000237835025 1028667443 /nfs/dbraw/zinc/66/74/43/1028667443.db2.gz MSNVGGOVWPUBBD-BPUTZDHNSA-N -1 0 341.407 3.908 20 0 EHADRM Cc1cc(C(=O)Nc2ccccc2-n2ccc(C(=O)[O-])n2)sc1C ZINC000237883546 1028668208 /nfs/dbraw/zinc/66/82/08/1028668208.db2.gz MNUMRWXACSLMPM-UHFFFAOYSA-N -1 0 341.392 3.501 20 0 EHADRM Cc1ccc2cc(C(=O)N[C@@H](CC(=O)[O-])c3ccccc3C)[nH]c2c1 ZINC000237891350 1028668864 /nfs/dbraw/zinc/66/88/64/1028668864.db2.gz LANZZJQXQCHPPP-KRWDZBQOSA-N -1 0 336.391 3.731 20 0 EHADRM O=S(=O)([N-]c1nnc(C2CCCCC2)o1)c1sccc1Cl ZINC000583065710 1028718479 /nfs/dbraw/zinc/71/84/79/1028718479.db2.gz UKNPWBMCYWJUIF-UHFFFAOYSA-N -1 0 347.849 3.633 20 0 EHADRM C[C@H](CC(=O)N[C@@](C)(CCF)C(=O)[O-])c1ccccc1C(F)(F)F ZINC000659217413 1028732109 /nfs/dbraw/zinc/73/21/09/1028732109.db2.gz ZZIJPDGLEZWSCG-BMIGLBTASA-N -1 0 349.324 3.518 20 0 EHADRM Cc1cnn(C)c1/C=C/c1nc(C(=O)[O-])c(-c2ccccc2)s1 ZINC000504723333 1028866637 /nfs/dbraw/zinc/86/66/37/1028866637.db2.gz ZOGFFOPYYDRORG-CMDGGOBGSA-N -1 0 325.393 3.721 20 0 EHADRM COc1ccc(Cc2noc(-c3cc(Cl)ccc3[O-])n2)c(F)c1 ZINC000445557565 1028919046 /nfs/dbraw/zinc/91/90/46/1028919046.db2.gz LQOCNXHUDCVSHI-UHFFFAOYSA-N -1 0 334.734 3.834 20 0 EHADRM Cc1cc2c[nH]nc2cc1NS(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000524182835 1028944898 /nfs/dbraw/zinc/94/48/98/1028944898.db2.gz QWVKQNAMYLMDCS-UHFFFAOYSA-N -1 0 343.452 3.906 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cccc(C3CCOCC3)c2)CCCC1 ZINC000634850085 1028981902 /nfs/dbraw/zinc/98/19/02/1028981902.db2.gz QZZYJKJSBHFSHH-UHFFFAOYSA-N -1 0 331.412 3.554 20 0 EHADRM CC[C@@H]1CCCC[C@H]1NC(=O)N=c1[n-]nc(-c2ccsc2)s1 ZINC000503025166 1028984116 /nfs/dbraw/zinc/98/41/16/1028984116.db2.gz PQIMGZGCRBNFLK-ZYHUDNBSSA-N -1 0 336.486 3.779 20 0 EHADRM Cc1nc2ccc(Cl)cn2c1NC(=O)c1cccc(Cl)c1[O-] ZINC001269632851 1029010235 /nfs/dbraw/zinc/01/02/35/1029010235.db2.gz ZKNZZEWMWVZHEG-UHFFFAOYSA-N -1 0 336.178 3.907 20 0 EHADRM CC[C@@H]1CCCC[C@H]1C(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)ccc1C ZINC000583154121 1029028552 /nfs/dbraw/zinc/02/85/52/1029028552.db2.gz UJXIEGCLGWACSE-TZMCWYRMSA-N -1 0 328.416 3.641 20 0 EHADRM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)NCCC(C)(C)C(=O)[O-])cc1 ZINC000424409787 1029055189 /nfs/dbraw/zinc/05/51/89/1029055189.db2.gz XYGJPAFMYYRCAE-IAGOWNOFSA-N -1 0 346.471 3.773 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)Nc1ccc(Cl)cc1Cl ZINC000319621747 1029055982 /nfs/dbraw/zinc/05/59/82/1029055982.db2.gz FLEIAIVNYITTBX-JQEORGNBSA-N -1 0 343.210 3.710 20 0 EHADRM CCCCOc1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000614888375 1029056111 /nfs/dbraw/zinc/05/61/11/1029056111.db2.gz VGSBDCFFWQOWBH-UHFFFAOYSA-N -1 0 341.379 3.945 20 0 EHADRM CCC(CC)(CNC(=O)N1CCC[C@H]1c1ccc(C)s1)C(=O)[O-] ZINC000424429740 1029071709 /nfs/dbraw/zinc/07/17/09/1029071709.db2.gz KIQIPGRCZQINFO-ZDUSSCGKSA-N -1 0 338.473 3.794 20 0 EHADRM CC(C)c1ccc(S(=O)(=O)[N-]c2cccnc2N2CCCC2)cc1 ZINC000647278486 1029115228 /nfs/dbraw/zinc/11/52/28/1029115228.db2.gz OTNQRWXGYSSEPF-UHFFFAOYSA-N -1 0 345.468 3.606 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)NC[C@H](C)c2ccc(C)cc2)s1 ZINC000524591466 1029340823 /nfs/dbraw/zinc/34/08/23/1029340823.db2.gz IKPAUNHOYJWEMB-ZDUSSCGKSA-N -1 0 332.473 3.536 20 0 EHADRM C[C@@H]1C[C@H](C)CCN(C(=O)c2cccc(Br)c2[O-])C1 ZINC000533112081 1029341340 /nfs/dbraw/zinc/34/13/40/1029341340.db2.gz ZIAMALAQCZLXHG-GHMZBOCLSA-N -1 0 326.234 3.663 20 0 EHADRM CCc1ncsc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000162006416 1029377834 /nfs/dbraw/zinc/37/78/34/1029377834.db2.gz HHNIPGXLZQDCSC-UHFFFAOYSA-N -1 0 343.282 3.875 20 0 EHADRM CCCCOc1ccc(CN=c2[n-]nc(C(C)C)s2)cc1OC ZINC000533205317 1029463063 /nfs/dbraw/zinc/46/30/63/1029463063.db2.gz BBFQUAPFGCWHSW-UHFFFAOYSA-N -1 0 335.473 3.883 20 0 EHADRM CCOc1ccc(OCC)c(NC(=O)c2cc(C(=O)[O-])c(CC)o2)c1 ZINC000261697787 1029484660 /nfs/dbraw/zinc/48/46/60/1029484660.db2.gz STANEGIWPNEUNT-UHFFFAOYSA-N -1 0 347.367 3.590 20 0 EHADRM CCc1nc(CN(C)C(=O)c2c([O-])cc(Cl)cc2Cl)cs1 ZINC000080007638 1029505445 /nfs/dbraw/zinc/50/54/45/1029505445.db2.gz USPZMLJYYCJZLJ-UHFFFAOYSA-N -1 0 345.251 3.990 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC000262763709 1029631038 /nfs/dbraw/zinc/63/10/38/1029631038.db2.gz KQILLUFSUMRMIG-IUODEOHRSA-N -1 0 327.355 3.542 20 0 EHADRM C/C=C/C[C@@H](NC(=O)c1ccccc1SCC=C(C)C)C(=O)[O-] ZINC000262828731 1029641090 /nfs/dbraw/zinc/64/10/90/1029641090.db2.gz QZVFRUCVFHYCKD-MBVDDHJVSA-N -1 0 333.453 3.894 20 0 EHADRM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000262833003 1029641734 /nfs/dbraw/zinc/64/17/34/1029641734.db2.gz BTJBBAQZGANKTF-VSZNYVQBSA-N -1 0 329.440 3.590 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000262856273 1029644399 /nfs/dbraw/zinc/64/43/99/1029644399.db2.gz IHPSSGRWHSJAHW-YOEHRIQHSA-N -1 0 335.419 3.717 20 0 EHADRM C[C@H](CC1CCCC1)C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000262863996 1029646764 /nfs/dbraw/zinc/64/67/64/1029646764.db2.gz IZWFJGLWYCRITR-OLMNPRSZSA-N -1 0 329.440 3.530 20 0 EHADRM O=C([O-])c1ccc(OCCN2CCc3cccc(F)c3C2)c(Cl)c1 ZINC000583327219 1029648122 /nfs/dbraw/zinc/64/81/22/1029648122.db2.gz FMOQTFOIFWAFQW-UHFFFAOYSA-N -1 0 349.789 3.614 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(C2CCC2)cc1 ZINC000263018106 1029657115 /nfs/dbraw/zinc/65/71/15/1029657115.db2.gz SYQVOWXCXXPZGD-UHFFFAOYSA-N -1 0 325.364 3.913 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)[C@H](C(=O)[O-])C1 ZINC000263039127 1029659650 /nfs/dbraw/zinc/65/96/50/1029659650.db2.gz PAWXKGLQLFWRPL-FZMZJTMJSA-N -1 0 347.798 3.925 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)CCCc2csc3ccccc23)C1 ZINC000263143763 1029668409 /nfs/dbraw/zinc/66/84/09/1029668409.db2.gz DVXKXPLOHYWJME-UKRRQHHQSA-N -1 0 345.464 3.793 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1ccccc1N1CCc2ccccc21 ZINC000263235634 1029678654 /nfs/dbraw/zinc/67/86/54/1029678654.db2.gz BOBIFQFGEVGDIH-UHFFFAOYSA-N -1 0 338.407 3.964 20 0 EHADRM CC1(C)CCC[C@H](C(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)C1 ZINC000263247065 1029679458 /nfs/dbraw/zinc/67/94/58/1029679458.db2.gz UTYBIMSDXYSGFG-ULQDDVLXSA-N -1 0 329.440 3.530 20 0 EHADRM CCC[C@H](CNC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000263257320 1029680804 /nfs/dbraw/zinc/68/08/04/1029680804.db2.gz VYCLGGFSTQONLW-SQNIBIBYSA-N -1 0 325.408 3.560 20 0 EHADRM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CC1CC(c2ccccc2)C1 ZINC000263321972 1029688013 /nfs/dbraw/zinc/68/80/13/1029688013.db2.gz JEAXKMGYLPMQAT-OAAAQFAESA-N -1 0 349.430 3.608 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)N[C@H](c2cccc(F)c2)C2CCCC2)C1 ZINC000263314736 1029688148 /nfs/dbraw/zinc/68/81/48/1029688148.db2.gz ZHCNGADMHPHYBZ-WBVHZDCISA-N -1 0 348.418 3.563 20 0 EHADRM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)Cc2ccc(C(=O)[O-])cc2)o1 ZINC000263327548 1029688851 /nfs/dbraw/zinc/68/88/51/1029688851.db2.gz LASDLECUQOPIDQ-CXAGYDPISA-N -1 0 341.407 3.829 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)cc1 ZINC000263327307 1029688899 /nfs/dbraw/zinc/68/88/99/1029688899.db2.gz OYEQVGZAVXTMNV-ZLKJLUDKSA-N -1 0 345.345 3.895 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1 ZINC000263383205 1029692745 /nfs/dbraw/zinc/69/27/45/1029692745.db2.gz XQNVBCDIKCMBHL-UKRRQHHQSA-N -1 0 343.448 3.906 20 0 EHADRM CCc1nc(C)c(C(=O)Nc2sc(C)c(CC)c2C(=O)[O-])s1 ZINC000263446725 1029699226 /nfs/dbraw/zinc/69/92/26/1029699226.db2.gz NLDKFLBGVWFHAP-UHFFFAOYSA-N -1 0 338.454 3.897 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-] ZINC000263452821 1029699537 /nfs/dbraw/zinc/69/95/37/1029699537.db2.gz OMYCZNBFOOCKAX-CABCVRRESA-N -1 0 329.396 3.813 20 0 EHADRM CCCN(CC(C)C)C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263490819 1029703965 /nfs/dbraw/zinc/70/39/65/1029703965.db2.gz RBAHTPXHVHBLOT-KRWDZBQOSA-N -1 0 334.460 3.540 20 0 EHADRM CCCCOc1ccc(NC(=O)NC(C)(C)CCC(=O)[O-])c(C)c1 ZINC000263515611 1029707051 /nfs/dbraw/zinc/70/70/51/1029707051.db2.gz ZOYBGLASIAHGMY-UHFFFAOYSA-N -1 0 336.432 3.939 20 0 EHADRM Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(Oc2cccc(C)c2)cc1 ZINC000347398657 1029727204 /nfs/dbraw/zinc/72/72/04/1029727204.db2.gz UWADSWFBOJRUJS-UHFFFAOYSA-N -1 0 343.408 3.620 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)C2(C(F)(F)F)CCCCC2)c1 ZINC000566506446 1029747276 /nfs/dbraw/zinc/74/72/76/1029747276.db2.gz VROGDFVRUKCYRA-UHFFFAOYSA-N -1 0 333.281 3.975 20 0 EHADRM O=C([O-])C1(CC(=O)NCc2ccccc2Oc2ccccc2)CCC1 ZINC000262573711 1029749994 /nfs/dbraw/zinc/74/99/94/1029749994.db2.gz ZNHXWBLHIROCRN-UHFFFAOYSA-N -1 0 339.391 3.740 20 0 EHADRM COc1ccc2oc([C@H](C)NC(=O)CC3(C(=O)[O-])CCC3)c(C)c2c1 ZINC000262574595 1029763313 /nfs/dbraw/zinc/76/33/13/1029763313.db2.gz ZSVKMCUSDIPJJP-LBPRGKRZSA-N -1 0 345.395 3.572 20 0 EHADRM O=C(c1cc(F)ccc1O)N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000446768852 1029787415 /nfs/dbraw/zinc/78/74/15/1029787415.db2.gz OMFJDDKDBCOKNL-UHFFFAOYSA-N -1 0 344.773 3.795 20 0 EHADRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000193268503 1029825565 /nfs/dbraw/zinc/82/55/65/1029825565.db2.gz DBCBHRIVPYNBPA-UHFFFAOYSA-N -1 0 343.857 3.871 20 0 EHADRM C[C@H](Oc1cccc(Cl)c1)c1n[n-]c(=NCc2ccccc2)o1 ZINC000446877834 1029840238 /nfs/dbraw/zinc/84/02/38/1029840238.db2.gz OWGVLIYZUIMPRR-LBPRGKRZSA-N -1 0 329.787 3.897 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000446903918 1029848601 /nfs/dbraw/zinc/84/86/01/1029848601.db2.gz GBUCIWWTUNSRDD-MRVPVSSYSA-N -1 0 343.210 3.800 20 0 EHADRM CC(C)(CC(=O)NCc1ccc(Sc2ccccc2)cc1)C(=O)[O-] ZINC000446990026 1029883259 /nfs/dbraw/zinc/88/32/59/1029883259.db2.gz PDLJJCWEPNZUCV-UHFFFAOYSA-N -1 0 343.448 3.955 20 0 EHADRM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1sccc1C ZINC000525530717 1029888852 /nfs/dbraw/zinc/88/88/52/1029888852.db2.gz WRGNROXLGIYYHJ-UHFFFAOYSA-N -1 0 331.846 3.828 20 0 EHADRM CO[C@@H](C)c1nc(=Nc2ccc(Nc3ccccc3)nc2)s[n-]1 ZINC000509652250 1029948940 /nfs/dbraw/zinc/94/89/40/1029948940.db2.gz WYKQNMOYOFMNSQ-NSHDSACASA-N -1 0 327.413 3.550 20 0 EHADRM CCCOc1cc(CN=c2[n-]nc(-c3ccccc3)o2)ccc1OC ZINC000508587732 1030015458 /nfs/dbraw/zinc/01/54/58/1030015458.db2.gz LPIUAIOFYSKCPN-UHFFFAOYSA-N -1 0 339.395 3.568 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1ccc(F)c(C2CC2)c1 ZINC000525702768 1030034363 /nfs/dbraw/zinc/03/43/63/1030034363.db2.gz YJQZJCDGNCYGCM-UHFFFAOYSA-N -1 0 327.402 3.574 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1 ZINC000120526214 1030042765 /nfs/dbraw/zinc/04/27/65/1030042765.db2.gz HFHCCDBLVHPEMI-UHFFFAOYSA-N -1 0 338.237 3.864 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1C(=O)[O-] ZINC000058518997 1030043550 /nfs/dbraw/zinc/04/35/50/1030043550.db2.gz IYAPQFRQGMWSEQ-UHFFFAOYSA-N -1 0 347.436 3.926 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N2CC3(CCC3)[C@H]2C2CC2)s1 ZINC000583534256 1030061946 /nfs/dbraw/zinc/06/19/46/1030061946.db2.gz GJPBQHHTSSHAMX-CYBMUJFWSA-N -1 0 334.489 3.660 20 0 EHADRM CC(C)[C@@H](NC(=O)c1n[nH]c(=O)[n-]1)c1ccc(C2CCCCC2)cc1 ZINC000525757521 1030079821 /nfs/dbraw/zinc/07/98/21/1030079821.db2.gz FOKIKFNPUIQODB-MRXNPFEDSA-N -1 0 342.443 3.685 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ncc(-c3ccccc3)cn2)s1 ZINC000481875182 1030083936 /nfs/dbraw/zinc/08/39/36/1030083936.db2.gz OGIXIGYZUHHROS-UHFFFAOYSA-N -1 0 345.449 3.568 20 0 EHADRM CC[C@H]1CCN(C(=O)N=c2[n-]nc(-c3cc(C)cc(C)c3)s2)C1 ZINC000481944067 1030125737 /nfs/dbraw/zinc/12/57/37/1030125737.db2.gz GKBGJHDAVCSQIK-ZDUSSCGKSA-N -1 0 330.457 3.508 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1cccc(OCC(C)C)c1 ZINC000120929208 1030129173 /nfs/dbraw/zinc/12/91/73/1030129173.db2.gz ICSLJYXKAQLTDO-UHFFFAOYSA-N -1 0 341.454 3.592 20 0 EHADRM Cc1ccc2nc(C)c(C(=O)NC3(CC(=O)[O-])CCCCC3)cc2c1 ZINC000532004634 1030221051 /nfs/dbraw/zinc/22/10/51/1030221051.db2.gz ZXDDLRRZTWTBFE-UHFFFAOYSA-N -1 0 340.423 3.759 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)Cc1coc2ccc3ccccc3c12)C(=O)[O-] ZINC000532004486 1030221644 /nfs/dbraw/zinc/22/16/44/1030221644.db2.gz FTINLPSHXYDRMI-HXPMCKFVSA-N -1 0 339.391 3.744 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCS[C@@H]2CCCC[C@@H]21 ZINC000158084595 1030264560 /nfs/dbraw/zinc/26/45/60/1030264560.db2.gz AKAYJJWBLVCPEL-QWHCGFSZSA-N -1 0 329.824 3.685 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)N(C2CC2)C2CCCC2)s[n-]1 ZINC000546744443 1030264556 /nfs/dbraw/zinc/26/45/56/1030264556.db2.gz ZAYAGNQWMCSHKR-UHFFFAOYSA-N -1 0 348.497 3.936 20 0 EHADRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc3ncsc3c2)cc1F ZINC000121506869 1030284701 /nfs/dbraw/zinc/28/47/01/1030284701.db2.gz RWZPVIBZBGQYTR-UHFFFAOYSA-N -1 0 340.376 3.684 20 0 EHADRM C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])C1 ZINC000447597037 1030334184 /nfs/dbraw/zinc/33/41/84/1030334184.db2.gz DCRUUCPEUXRZRG-UPJWGTAASA-N -1 0 347.846 3.738 20 0 EHADRM Cc1cc(CN(C)C(=O)c2cc(F)cc(Cl)c2[O-])ccc1F ZINC000447632267 1030371693 /nfs/dbraw/zinc/37/16/93/1030371693.db2.gz HAHFIVCPKUHLNI-UHFFFAOYSA-N -1 0 325.742 3.904 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1cccc2c1OCC[C@H]2OC ZINC000447782170 1030472215 /nfs/dbraw/zinc/47/22/15/1030472215.db2.gz XGODGOMIIWQSAS-MRXNPFEDSA-N -1 0 347.436 3.520 20 0 EHADRM CO[C@H]1CCOc2c([N-]S(=O)(=O)c3ccc(C)cc3C)cccc21 ZINC000447778137 1030477417 /nfs/dbraw/zinc/47/74/17/1030477417.db2.gz IJPTWMYAMCQCFQ-INIZCTEOSA-N -1 0 347.436 3.574 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)c3nc(-c4ccccc4)oc3C)[nH][n-]2)o1 ZINC000447804783 1030506084 /nfs/dbraw/zinc/50/60/84/1030506084.db2.gz GIZXXJGXPRADAA-UHFFFAOYSA-N -1 0 348.362 3.616 20 0 EHADRM CC[C@H](c1n[n-]c(=NC(=O)c2cc(C)c(C)o2)s1)c1ccccc1 ZINC000532264729 1030512076 /nfs/dbraw/zinc/51/20/76/1030512076.db2.gz GRSWNFGIOZWJDY-AWEZNQCLSA-N -1 0 341.436 3.964 20 0 EHADRM O=C([O-])C1(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)CCC1 ZINC000532262381 1030512511 /nfs/dbraw/zinc/51/25/11/1030512511.db2.gz OOJBWLPBSXQBBW-UHFFFAOYSA-N -1 0 335.831 3.523 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)C[C@H](C)c1ccccc1 ZINC000237510170 1030537349 /nfs/dbraw/zinc/53/73/49/1030537349.db2.gz XZGKNUAZBUEBQA-YJBOKZPZSA-N -1 0 325.408 3.821 20 0 EHADRM CO[C@H]1CCC[C@@H](CC(=O)Nc2ccc(Br)cc2O)C1 ZINC000526981528 1030540057 /nfs/dbraw/zinc/54/00/57/1030540057.db2.gz KMWJSGQVNSFIQC-PWSUYJOCSA-N -1 0 342.233 3.689 20 0 EHADRM CCc1ccnc(-c2nc(=O)c3snc(-c4ccccc4)c3[n-]2)c1 ZINC000527034409 1030583314 /nfs/dbraw/zinc/58/33/14/1030583314.db2.gz DNPPZBFUZKQFLG-UHFFFAOYSA-N -1 0 334.404 3.671 20 0 EHADRM C[C@H]1C[C@H](C)N(C(=O)N=c2[n-]nc(-c3cc4ccccc4o3)s2)C1 ZINC000527057000 1030609139 /nfs/dbraw/zinc/60/91/39/1030609139.db2.gz UZBSQLYACPWOAK-QWRGUYRKSA-N -1 0 342.424 3.635 20 0 EHADRM O=C([O-])C[C@H]1CCCN(Cc2ccc(Br)cc2Cl)C1 ZINC000122525997 1030657788 /nfs/dbraw/zinc/65/77/88/1030657788.db2.gz NVPNDAZXXORAIC-SNVBAGLBSA-N -1 0 346.652 3.789 20 0 EHADRM O=C([O-])[C@H]1CC[C@@H](NC(=O)CCCSc2ccc(Cl)cc2)C1 ZINC000194474519 1030660859 /nfs/dbraw/zinc/66/08/59/1030660859.db2.gz ZBECQAINSNXOBO-WCQYABFASA-N -1 0 341.860 3.582 20 0 EHADRM CN(C(=O)Nc1cccc(C(F)(F)F)c1)C1(C(=O)[O-])CCCCC1 ZINC000392963046 1030664611 /nfs/dbraw/zinc/66/46/11/1030664611.db2.gz SKMJVNMJUAWQAT-UHFFFAOYSA-N -1 0 344.333 3.957 20 0 EHADRM C[C@@H]1C[C@H](C)CCN(C(=O)N=c2nc(-c3ccsc3)[n-]s2)C1 ZINC000448012545 1030667563 /nfs/dbraw/zinc/66/75/63/1030667563.db2.gz RSSOFASQVNRBBX-GHMZBOCLSA-N -1 0 336.486 3.588 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)NCCc2ccc(C(C)C)cc2)cc1 ZINC000194486105 1030705943 /nfs/dbraw/zinc/70/59/43/1030705943.db2.gz KCKNSVHNBSMERS-XMMPIXPASA-N -1 0 343.492 3.585 20 0 EHADRM O=S(=O)([N-]c1cccnc1C(F)(F)F)c1cccc(Cl)c1 ZINC000343418179 1030773289 /nfs/dbraw/zinc/77/32/89/1030773289.db2.gz KQPQRYGSMYRKBG-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM CC(C)[C@@H](NC(=O)N=c1ccc(C2CC2)n[n-]1)c1ccc(F)cc1F ZINC000448154993 1030776278 /nfs/dbraw/zinc/77/62/78/1030776278.db2.gz MRIZRCZEHKPJBP-QGZVFWFLSA-N -1 0 346.381 3.573 20 0 EHADRM CC[C@H](NC(=O)N=c1ccc(C2CC2)n[n-]1)c1cccc(Cl)c1 ZINC000448154554 1030777379 /nfs/dbraw/zinc/77/73/79/1030777379.db2.gz ILPPYEFUCUDKNC-AWEZNQCLSA-N -1 0 330.819 3.702 20 0 EHADRM CSc1nc(=NC(=O)N[C@H](c2ccccc2)C(C)(C)C)s[n-]1 ZINC000476669962 1030790836 /nfs/dbraw/zinc/79/08/36/1030790836.db2.gz YLPKZYHDACYDGJ-LLVKDONJSA-N -1 0 336.486 3.591 20 0 EHADRM Cc1ccccc1-c1n[n-]c(=NCc2cnc(CC(C)C)s2)o1 ZINC000550961016 1030835947 /nfs/dbraw/zinc/83/59/47/1030835947.db2.gz WKYMKHRNJPAIOW-UHFFFAOYSA-N -1 0 328.441 3.734 20 0 EHADRM Cc1cccc(S([O-])=CC(=O)NCCc2ccc(C(C)C)cc2)c1 ZINC000194534037 1030842156 /nfs/dbraw/zinc/84/21/56/1030842156.db2.gz WCXDUQBLQAMASB-DEOSSOPVSA-N -1 0 343.492 3.585 20 0 EHADRM C[C@@H](CCCC(C)(C)C(=O)[O-])Nc1ccc2c(c1)CCC(=O)N2C ZINC000902224505 1030846691 /nfs/dbraw/zinc/84/66/91/1030846691.db2.gz XXCMQLGAXHCVEO-ZDUSSCGKSA-N -1 0 332.444 3.677 20 0 EHADRM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)C1CCC(O)CC1 ZINC000194539405 1030854916 /nfs/dbraw/zinc/85/49/16/1030854916.db2.gz ORJXQVJWJXOPSS-UHFFFAOYSA-N -1 0 338.618 3.842 20 0 EHADRM C[C@@H](N(C)C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C(C)(C)C ZINC000666035078 1030883806 /nfs/dbraw/zinc/88/38/06/1030883806.db2.gz VVVZZABNGNRLHH-LLVKDONJSA-N -1 0 335.835 3.738 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1ncsc1C(F)(F)F ZINC000527460103 1030903836 /nfs/dbraw/zinc/90/38/36/1030903836.db2.gz BHSITVDBIRVYRE-UHFFFAOYSA-N -1 0 340.685 3.912 20 0 EHADRM C[C@@H](NC(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC000262876797 1030936583 /nfs/dbraw/zinc/93/65/83/1030936583.db2.gz APNVVDGWGLDANH-CRAIPNDOSA-N -1 0 340.423 3.523 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H](C)CCCc2ccccc2)C1 ZINC000262868176 1030936909 /nfs/dbraw/zinc/93/69/09/1030936909.db2.gz FXDREPAEXHYXFI-OXJNMPFZSA-N -1 0 331.456 3.605 20 0 EHADRM CC(C)CCn1ccc([N-]S(=O)(=O)c2ccccc2C(C)C)n1 ZINC000468357142 1030998653 /nfs/dbraw/zinc/99/86/53/1030998653.db2.gz IWQBSHSJEMPTQA-UHFFFAOYSA-N -1 0 335.473 3.853 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccnn2[C@H](C)CC(C)C)c1 ZINC000476911580 1031067118 /nfs/dbraw/zinc/06/71/18/1031067118.db2.gz VZQUPGHAXPMKLO-CYBMUJFWSA-N -1 0 339.436 3.739 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)[N-]c2nc3c(cccc3C)s2)c1 ZINC000476914918 1031067360 /nfs/dbraw/zinc/06/73/60/1031067360.db2.gz NMEXOBMOOQGJRR-UHFFFAOYSA-N -1 0 336.413 3.853 20 0 EHADRM Cc1c(F)ccc(Cl)c1C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000483318408 1031113745 /nfs/dbraw/zinc/11/37/45/1031113745.db2.gz CAYIPYRWSQWKOF-UHFFFAOYSA-N -1 0 347.802 3.980 20 0 EHADRM O=C([O-])/C=C/c1ccccc1NCc1cccc2c1OC(F)(F)O2 ZINC001168355299 1031129088 /nfs/dbraw/zinc/12/90/88/1031129088.db2.gz IQYGGSHFUIODKK-CMDGGOBGSA-N -1 0 333.290 3.718 20 0 EHADRM CC(C)c1ccsc1C(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC000455891094 1031241571 /nfs/dbraw/zinc/24/15/71/1031241571.db2.gz YRSIYOYRGXKUDH-LBPRGKRZSA-N -1 0 347.436 3.826 20 0 EHADRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)c1 ZINC000551387799 1031284772 /nfs/dbraw/zinc/28/47/72/1031284772.db2.gz KMWJFXPNNLJUFH-UHFFFAOYSA-N -1 0 349.214 3.945 20 0 EHADRM Cc1cccc(OCCCCC(=O)N[C@@](C)(CC(=O)[O-])C(C)C)c1 ZINC000262911233 1031302108 /nfs/dbraw/zinc/30/21/08/1031302108.db2.gz IUQHFPCIUSUREM-IBGZPJMESA-N -1 0 335.444 3.550 20 0 EHADRM O=S(=O)([N-]c1cccc2cc[nH]c21)c1c(Cl)ccc(F)c1F ZINC000551475102 1031372785 /nfs/dbraw/zinc/37/27/85/1031372785.db2.gz MPQUIVPQOIFWMK-UHFFFAOYSA-N -1 0 342.754 3.900 20 0 EHADRM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)CC3CCC(C(=O)[O-])CC3)C2)cc1 ZINC000668300664 1031418335 /nfs/dbraw/zinc/41/83/35/1031418335.db2.gz SGLZVYCCWPTWAP-JVDULTGUSA-N -1 0 343.467 3.981 20 0 EHADRM Cc1ccc(-c2noc(=N[C@H](C)c3ccc4c(c3)CCC(=O)N4)[n-]2)cc1 ZINC000484107942 1031461321 /nfs/dbraw/zinc/46/13/21/1031461321.db2.gz MTOGGZYGDZXUBQ-CYBMUJFWSA-N -1 0 348.406 3.525 20 0 EHADRM CC[C@H](CC(=O)N=c1ccc(C(F)(F)F)n[n-]1)c1ccc(C)cc1 ZINC000484152101 1031464519 /nfs/dbraw/zinc/46/45/19/1031464519.db2.gz OHBWCGKSMAFDBW-GFCCVEGCSA-N -1 0 337.345 3.748 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N[C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000668319481 1031476829 /nfs/dbraw/zinc/47/68/29/1031476829.db2.gz JGCRKWLNDHNKMG-MKTAYPAQSA-N -1 0 333.403 3.600 20 0 EHADRM O=S(=O)([N-]c1csc2ccccc12)c1cc(F)cc(F)c1 ZINC000484166922 1031481201 /nfs/dbraw/zinc/48/12/01/1031481201.db2.gz VPRNPSFZONCZRC-UHFFFAOYSA-N -1 0 325.361 3.980 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2cccs2)cc(OC)c1C(C)C ZINC000484199287 1031496948 /nfs/dbraw/zinc/49/69/48/1031496948.db2.gz HPXZIZXKUIXLEH-UHFFFAOYSA-N -1 0 341.454 3.690 20 0 EHADRM O=C([N-]OCc1ccc(F)cc1)[C@@H](c1ccncc1)C1CCCC1 ZINC000897382901 1031571593 /nfs/dbraw/zinc/57/15/93/1031571593.db2.gz OXZGHTQMWZFEDH-GOSISDBHSA-N -1 0 328.387 3.743 20 0 EHADRM CC(C)[C@H]1C[C@@](NCc2cnc(C3CC3)o2)(C(=O)[O-])c2ccccc21 ZINC000904010893 1031629042 /nfs/dbraw/zinc/62/90/42/1031629042.db2.gz ROIVGCWBQNDYOL-UZLBHIALSA-N -1 0 340.423 3.765 20 0 EHADRM Cn1cc(CNc2ccc(OCCC(=O)[O-])cc2)c(C2CCCC2)n1 ZINC000904012240 1031630136 /nfs/dbraw/zinc/63/01/36/1031630136.db2.gz TVGZTKMYLKXMMK-UHFFFAOYSA-N -1 0 343.427 3.543 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NCc2ncc(C(F)(F)F)s2)c1 ZINC000904045753 1031665103 /nfs/dbraw/zinc/66/51/03/1031665103.db2.gz NCTFKIOXELRRSN-NSHDSACASA-N -1 0 344.358 3.776 20 0 EHADRM CCn1nc(CN[C@@H](CC(=O)[O-])c2ccccc2F)c2ccccc21 ZINC000904045883 1031665211 /nfs/dbraw/zinc/66/52/11/1031665211.db2.gz QPUMHCOHZNWBHV-INIZCTEOSA-N -1 0 341.386 3.501 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)C[C@@]1(C(=O)[O-])CCSC1 ZINC000064611191 1031671469 /nfs/dbraw/zinc/67/14/69/1031671469.db2.gz NXCDCEYAHFFCRW-XIKOKIGWSA-N -1 0 347.436 3.516 20 0 EHADRM CC[C@H](NCc1csc(-c2cccs2)n1)c1nc(C(=O)[O-])c[nH]1 ZINC000904066129 1031691810 /nfs/dbraw/zinc/69/18/10/1031691810.db2.gz YEISFKZXKDILRH-JTQLQIEISA-N -1 0 348.453 3.534 20 0 EHADRM C[C@@H]1COCC[C@H]1c1noc(-c2cc(Cl)cc(Cl)c2[O-])n1 ZINC000904069456 1031721882 /nfs/dbraw/zinc/72/18/82/1031721882.db2.gz ORDVAGXOCAODGP-VXNVDRBHSA-N -1 0 329.183 3.889 20 0 EHADRM O=C(c1c([O-])cc(Cl)cc1Cl)N1CCn2c3ccccc3nc21 ZINC000179386072 1031746142 /nfs/dbraw/zinc/74/61/42/1031746142.db2.gz PPESCRGSMBPGHA-UHFFFAOYSA-N -1 0 348.189 3.709 20 0 EHADRM OCC[C@@H](N=c1nc(C2CC2)[n-]s1)c1ccc(Cl)c(Cl)c1 ZINC000343640700 1031757667 /nfs/dbraw/zinc/75/76/67/1031757667.db2.gz YUIBRLHNQCWXDQ-GFCCVEGCSA-N -1 0 344.267 3.680 20 0 EHADRM Cc1ccc(CCC(=O)[O-])c(-c2ccc(O[C@@H]3CCOC3)cc2)c1 ZINC000584124950 1031764636 /nfs/dbraw/zinc/76/46/36/1031764636.db2.gz WKULRFHGZVRBIG-GOSISDBHSA-N -1 0 326.392 3.847 20 0 EHADRM O=C(N[C@H]1CC[C@H](Nc2ccccn2)CC1)c1ccc([O-])c(Cl)c1 ZINC000584120775 1031767538 /nfs/dbraw/zinc/76/75/38/1031767538.db2.gz XJTWOVQPQHMHEX-HDJSIYSDSA-N -1 0 345.830 3.594 20 0 EHADRM Cc1cc(C(=O)N(C)CCC(=O)[O-])sc1-c1cccc(Cl)c1 ZINC000262937326 1031784837 /nfs/dbraw/zinc/78/48/37/1031784837.db2.gz YVUKJJLCLOZPER-UHFFFAOYSA-N -1 0 337.828 3.924 20 0 EHADRM Cc1ccccc1[C@H]1CN(C(=O)c2cc(F)c([O-])c(F)c2)[C@@H](C)CO1 ZINC000180075506 1031837608 /nfs/dbraw/zinc/83/76/08/1031837608.db2.gz LHLDEBGLXBMCKI-YVEFUNNKSA-N -1 0 347.361 3.581 20 0 EHADRM COc1cc(C)ccc1NCc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904199118 1031845647 /nfs/dbraw/zinc/84/56/47/1031845647.db2.gz GOWAOSNJQDDEFX-UHFFFAOYSA-N -1 0 344.411 3.510 20 0 EHADRM CC1CCN(c2cccc(N[C@@H]3C[C@@H](NC(=O)[O-])C34CCC4)c2)CC1 ZINC000904198540 1031845896 /nfs/dbraw/zinc/84/58/96/1031845896.db2.gz ACUGHNOWBMKMCE-QZTJIDSGSA-N -1 0 343.471 3.914 20 0 EHADRM O=C([O-])N[C@H]1C[C@@H](Nc2ccc(CC(F)(F)F)cc2)C12CCC2 ZINC000904200034 1031847217 /nfs/dbraw/zinc/84/72/17/1031847217.db2.gz WHEJDDMISVOMNG-OLZOCXBDSA-N -1 0 328.334 3.782 20 0 EHADRM O=C([O-])N[C@@H]1C[C@H](Nc2cccc(CC(F)(F)F)c2)C12CCC2 ZINC000904201246 1031847614 /nfs/dbraw/zinc/84/76/14/1031847614.db2.gz ZFGZFBPHWKCMDM-QWHCGFSZSA-N -1 0 328.334 3.782 20 0 EHADRM O=C(N=c1nc(-c2ccccc2)[n-]s1)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000537735530 1031878564 /nfs/dbraw/zinc/87/85/64/1031878564.db2.gz GLCZBOGAANCWRW-CABCVRRESA-N -1 0 339.395 3.508 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1cc(-c2ccccc2Cl)on1)C1CCC1 ZINC000584243653 1032001221 /nfs/dbraw/zinc/00/12/21/1032001221.db2.gz PRDASBPRQXNXAD-LLVKDONJSA-N -1 0 334.803 3.823 20 0 EHADRM Cc1cccc(C(=O)N[C@@](C)(CC(=O)[O-])c2cccc(F)c2)c1C ZINC000449000974 1032007873 /nfs/dbraw/zinc/00/78/73/1032007873.db2.gz JYRCDTVIAUGIHS-IBGZPJMESA-N -1 0 329.371 3.562 20 0 EHADRM Cc1ccc(-c2nc(C(=O)N3CCC[C@]3(C)C(=O)[O-])cs2)c(C)c1 ZINC000449002276 1032010605 /nfs/dbraw/zinc/01/06/05/1032010605.db2.gz MICBQIONXAKDDX-GOSISDBHSA-N -1 0 344.436 3.506 20 0 EHADRM CCCN(CC(C)C)C(=O)N=c1[n-]nc(-c2ccccc2OC)s1 ZINC000455810989 1032014051 /nfs/dbraw/zinc/01/40/51/1032014051.db2.gz MTFFPNGSOLRJIK-UHFFFAOYSA-N -1 0 348.472 3.536 20 0 EHADRM Cc1ccc2c(c1)[nH]cc2C(=O)/C(C#N)=C/c1ccc(C(=O)[O-])cc1 ZINC000063412950 1033306074 /nfs/dbraw/zinc/30/60/74/1033306074.db2.gz JAEIZUBYKXGZMC-OQLLNIDSSA-N -1 0 330.343 3.964 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000574651069 1033315920 /nfs/dbraw/zinc/31/59/20/1033315920.db2.gz HDMOOZYJSJTNPC-NSHDSACASA-N -1 0 343.345 3.697 20 0 EHADRM CCCCSCCC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000598669902 1033389626 /nfs/dbraw/zinc/38/96/26/1033389626.db2.gz QXTSDRJCOICITH-UHFFFAOYSA-N -1 0 347.383 3.848 20 0 EHADRM CC(C)c1ccc(CN=c2[n-]nc([C@@H]3Cc4ccccc4O3)o2)cc1 ZINC000537490413 1033389722 /nfs/dbraw/zinc/38/97/22/1033389722.db2.gz ITTSHBCNLMMANI-SFHVURJKSA-N -1 0 335.407 3.903 20 0 EHADRM Clc1ccc(Cc2n[n-]c(=NCc3cccc4cc[nH]c43)o2)cc1 ZINC000537492453 1033392492 /nfs/dbraw/zinc/39/24/92/1033392492.db2.gz OXTLYDHSKKAIKZ-UHFFFAOYSA-N -1 0 338.798 3.829 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2c(C(=O)[O-])cccc2C(C)C)cc1 ZINC000511295457 1033443846 /nfs/dbraw/zinc/44/38/46/1033443846.db2.gz JVZJJAYTKIINMU-UHFFFAOYSA-N -1 0 333.409 3.617 20 0 EHADRM Cc1nc(=NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)s[n-]1 ZINC000608079135 1033463097 /nfs/dbraw/zinc/46/30/97/1033463097.db2.gz VRAFHWYOBMJQSH-BQBZGAKWSA-N -1 0 333.301 3.590 20 0 EHADRM c1coc(-c2n[n-]c(=NCc3cnc(C4CCCCC4)s3)o2)c1 ZINC000537505639 1033513854 /nfs/dbraw/zinc/51/38/54/1033513854.db2.gz WFLMQBRRQIPGHG-UHFFFAOYSA-N -1 0 330.413 3.868 20 0 EHADRM CSCc1cccc(-c2ccc([C@H](CC(=O)[O-])NC(C)=O)cc2)c1 ZINC000594874193 1033528980 /nfs/dbraw/zinc/52/89/80/1033528980.db2.gz VFQWKDWEOKMMAI-SFHVURJKSA-N -1 0 343.448 3.869 20 0 EHADRM Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000545226300 1033554759 /nfs/dbraw/zinc/55/47/59/1033554759.db2.gz UNYFWHILWOAZKT-ZDUSSCGKSA-N -1 0 349.475 3.549 20 0 EHADRM CCCOc1ccc(C(F)(F)F)cc1NC(=O)C[C@H](C)CC(=O)[O-] ZINC000574769964 1033556572 /nfs/dbraw/zinc/55/65/72/1033556572.db2.gz DBFKQRNDNAVLHK-JTQLQIEISA-N -1 0 347.333 3.934 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)N[C@@H](CC2CC2)c2ccccc2)s1 ZINC000608288973 1033589974 /nfs/dbraw/zinc/58/99/74/1033589974.db2.gz NNHUECKFCYMZEJ-AWEZNQCLSA-N -1 0 344.484 3.920 20 0 EHADRM CC(C)c1ccsc1C(=O)N[C@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000455953915 1033597820 /nfs/dbraw/zinc/59/78/20/1033597820.db2.gz SSQSPEIUUMDLOP-CZUORRHYSA-N -1 0 345.464 3.933 20 0 EHADRM CC[C@@H]1C[C@@H](C)CN1C(=O)c1cc(Br)c(F)cc1[O-] ZINC000450059657 1033651342 /nfs/dbraw/zinc/65/13/42/1033651342.db2.gz KPZAUABWHJXOGL-RKDXNWHRSA-N -1 0 330.197 3.554 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)Nc1ncc(-c2ccccc2)s1)C1CCC1 ZINC000574866142 1033683256 /nfs/dbraw/zinc/68/32/56/1033683256.db2.gz GYGFLHRABKHHCL-NSHDSACASA-N -1 0 345.424 3.670 20 0 EHADRM O=C([O-])[C@@H]1CCCCCN1C(=O)Nc1ccc(Cl)cc1Cl ZINC000080990572 1033698051 /nfs/dbraw/zinc/69/80/51/1033698051.db2.gz DWPMGHOYXOBHKA-LBPRGKRZSA-N -1 0 331.199 3.855 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2cc(C)ccc2Cl)nc1 ZINC000120331884 1033701075 /nfs/dbraw/zinc/70/10/75/1033701075.db2.gz BLQWUCREVHXISX-UHFFFAOYSA-N -1 0 328.846 3.566 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)Nc2ccc(OCC3CC3)cc2)c1 ZINC000476397549 1033751699 /nfs/dbraw/zinc/75/16/99/1033751699.db2.gz BRUBUIRFUGJICA-UHFFFAOYSA-N -1 0 335.400 3.724 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N(Cc2ccccc2)[C@H](C)CC)s1 ZINC000599415350 1033927575 /nfs/dbraw/zinc/92/75/75/1033927575.db2.gz BPAUAPINYJSKON-CYBMUJFWSA-N -1 0 332.473 3.745 20 0 EHADRM CSCc1ccc([N-]S(=O)(=O)c2cc(C)ccc2F)cc1 ZINC000608955849 1033971919 /nfs/dbraw/zinc/97/19/19/1033971919.db2.gz RCKKEORSNMGNBM-UHFFFAOYSA-N -1 0 325.430 3.798 20 0 EHADRM CCSCc1ccc(C(=O)N=c2nc(C(C)(C)C)[n-]s2)cc1 ZINC000609023772 1033999358 /nfs/dbraw/zinc/99/93/58/1033999358.db2.gz WCEHLRDCZSBJKY-UHFFFAOYSA-N -1 0 335.498 3.763 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)C2(c3ccccc3)CCCC2)s[n-]1 ZINC000599557059 1034008380 /nfs/dbraw/zinc/00/83/80/1034008380.db2.gz VYOLMARGVLYYRA-UHFFFAOYSA-N -1 0 329.469 3.708 20 0 EHADRM COC(=O)c1ccc(C(=O)[N-]c2cc(Cl)ccc2SC)o1 ZINC000119118000 1034088962 /nfs/dbraw/zinc/08/89/62/1034088962.db2.gz NDGWCZGEROUULA-UHFFFAOYSA-N -1 0 325.773 3.694 20 0 EHADRM Cc1cc(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)cnc1F ZINC001212188473 1034113487 /nfs/dbraw/zinc/11/34/87/1034113487.db2.gz KWXIWLLJPSSSHR-UHFFFAOYSA-N -1 0 332.356 3.673 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(O)c2)c1Cl ZINC000534237681 1034281713 /nfs/dbraw/zinc/28/17/13/1034281713.db2.gz ZOBJDLBQEMUYFH-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM CCCc1ccccc1[N-]S(=O)(=O)c1c(C)nn(C(C)C)c1C ZINC000604304123 1034317586 /nfs/dbraw/zinc/31/75/86/1034317586.db2.gz PLZFCTAMIOPCPK-UHFFFAOYSA-N -1 0 335.473 3.834 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)s1 ZINC000604609869 1034435294 /nfs/dbraw/zinc/43/52/94/1034435294.db2.gz OIMHKILWYGXKDV-DZGCQCFKSA-N -1 0 344.484 3.713 20 0 EHADRM COc1cccc([C@H]2CN(C(=O)c3cc(F)ccc3O)CC2(C)C)c1 ZINC000529728469 1034494613 /nfs/dbraw/zinc/49/46/13/1034494613.db2.gz OSQFHOYARLQFDB-QGZVFWFLSA-N -1 0 343.398 3.806 20 0 EHADRM O=C(CC/C=C\c1ccccc1)[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000255831669 1034495763 /nfs/dbraw/zinc/49/57/63/1034495763.db2.gz KTEICZHNGZXMKL-IDARCREKSA-N -1 0 341.432 3.597 20 0 EHADRM CCCc1ncc(CNC(=O)c2c([O-])cc(Cl)cc2Cl)o1 ZINC000456501627 1034507070 /nfs/dbraw/zinc/50/70/70/1034507070.db2.gz LPCBLQSBZFVOLM-UHFFFAOYSA-N -1 0 329.183 3.570 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)N(CC2CCCCC2)C2CC2)s[n-]1 ZINC000604800342 1034508516 /nfs/dbraw/zinc/50/85/16/1034508516.db2.gz OLYMCVQFTPGIOC-UHFFFAOYSA-N -1 0 336.505 3.834 20 0 EHADRM COc1cccc([C@H]2C[C@H](NC(=O)c3cc(F)c([O-])c(Cl)c3)C2)c1 ZINC000456519261 1034509026 /nfs/dbraw/zinc/50/90/26/1034509026.db2.gz XMXBPAIDDDJPDV-AULYBMBSSA-N -1 0 349.789 3.869 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)N=c1nc(-c2cccnc2)[n-]s1 ZINC000534440805 1034545862 /nfs/dbraw/zinc/54/58/62/1034545862.db2.gz NRHKFKCBIQLUEH-CYBMUJFWSA-N -1 0 330.457 3.567 20 0 EHADRM CN(c1ccccc1)C1CCN(c2ncc(C(=O)[O-])cc2Cl)CC1 ZINC000647451377 1034588832 /nfs/dbraw/zinc/58/88/32/1034588832.db2.gz WBBCTJPZWMAXTG-UHFFFAOYSA-N -1 0 345.830 3.538 20 0 EHADRM CC1(C(=O)[O-])CCN(c2ccnc3ccc(Br)cc32)CC1 ZINC000647457853 1034593791 /nfs/dbraw/zinc/59/37/91/1034593791.db2.gz CONXSDITGSACRK-UHFFFAOYSA-N -1 0 349.228 3.688 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)c1cc2ccccc2o1 ZINC000060489249 1034623134 /nfs/dbraw/zinc/62/31/34/1034623134.db2.gz DFKLZCDCXGQWMI-UHFFFAOYSA-N -1 0 335.768 3.780 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000390439056 1034696947 /nfs/dbraw/zinc/69/69/47/1034696947.db2.gz WVPYRDGWGATCFY-NSHDSACASA-N -1 0 335.787 3.722 20 0 EHADRM CC(C)CCc1ccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)nc1 ZINC000456784299 1034730321 /nfs/dbraw/zinc/73/03/21/1034730321.db2.gz MSMQAKYXXPXTCZ-UHFFFAOYSA-N -1 0 335.407 3.764 20 0 EHADRM Cc1cc(C(=O)N=c2cccn[n-]2)sc1-c1cccc(Cl)c1 ZINC000605469105 1034750512 /nfs/dbraw/zinc/75/05/12/1034750512.db2.gz RIXDZQQOZOMFRP-UHFFFAOYSA-N -1 0 329.812 3.841 20 0 EHADRM CCCCCCNC(=O)/C(C#N)=C/c1cccc(C(=O)[O-])c1Cl ZINC000188733879 1034765398 /nfs/dbraw/zinc/76/53/98/1034765398.db2.gz ZWBJDGFZVGADGK-JLHYYAGUSA-N -1 0 334.803 3.642 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-] ZINC000601984920 1034847177 /nfs/dbraw/zinc/84/71/77/1034847177.db2.gz PRZXQYCVNHQCAW-NXEZZACHSA-N -1 0 345.848 3.661 20 0 EHADRM C[C@@H](NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])c1cc2ccccc2s1 ZINC000601983354 1034847200 /nfs/dbraw/zinc/84/72/00/1034847200.db2.gz KZTXSBJTKIFNJW-MXWKQRLJSA-N -1 0 337.466 3.673 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)c1C ZINC000606149914 1034874956 /nfs/dbraw/zinc/87/49/56/1034874956.db2.gz SNIQIUUVUMPMAW-CRAIPNDOSA-N -1 0 325.408 3.739 20 0 EHADRM Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2ccc3oc(=O)nc-3[n-]2)c1 ZINC000612428789 1034922331 /nfs/dbraw/zinc/92/23/31/1034922331.db2.gz TXVBQRRUPRAIHE-HNNXBMFYSA-N -1 0 337.379 3.523 20 0 EHADRM CCCc1nc(CN2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])cs1 ZINC000584481352 1034947454 /nfs/dbraw/zinc/94/74/54/1034947454.db2.gz LCJBDOYWAVDTMX-HOCLYGCPSA-N -1 0 336.501 3.951 20 0 EHADRM Cc1cc(Cl)cc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000431658357 1034989347 /nfs/dbraw/zinc/98/93/47/1034989347.db2.gz NZHNDDIUJHOXJE-LRDDRELGSA-N -1 0 331.799 3.840 20 0 EHADRM O=S(=O)([N-]c1ccnn1C1CCCC1)c1cccc(Cl)c1F ZINC000066248853 1035326861 /nfs/dbraw/zinc/32/68/61/1035326861.db2.gz HSPLBRNOIQNULK-UHFFFAOYSA-N -1 0 343.811 3.592 20 0 EHADRM Cc1ccc(-c2nc(CNCc3c(F)ccc(O)c3F)co2)cc1 ZINC000511425337 1035394768 /nfs/dbraw/zinc/39/47/68/1035394768.db2.gz AWUOHMRVLSMCLU-UHFFFAOYSA-N -1 0 330.334 3.924 20 0 EHADRM CC(C)(CNC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1)c1ccccn1 ZINC000414092042 1035477188 /nfs/dbraw/zinc/47/71/88/1035477188.db2.gz MDXMJFODXIBYJV-FQEVSTJZSA-N -1 0 346.471 3.537 20 0 EHADRM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000506994277 1035532276 /nfs/dbraw/zinc/53/22/76/1035532276.db2.gz HARMEJXHRCAOFK-NSHDSACASA-N -1 0 340.832 3.713 20 0 EHADRM FC(F)(F)c1cccc(CN=c2[n-]nc(CC3CCCC3)o2)c1 ZINC000540705916 1035586792 /nfs/dbraw/zinc/58/67/92/1035586792.db2.gz SWZYJYQCYZTPIV-UHFFFAOYSA-N -1 0 325.334 3.855 20 0 EHADRM C/C=C/c1ccc(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)cc1 ZINC000571714299 1035588651 /nfs/dbraw/zinc/58/86/51/1035588651.db2.gz MUURDUVNGDXKLR-QHHAFSJGSA-N -1 0 331.375 3.926 20 0 EHADRM O=C(CCSc1ccccc1Cl)N=c1cc(C(F)(F)F)[n-][nH]1 ZINC000534799835 1035633755 /nfs/dbraw/zinc/63/37/55/1035633755.db2.gz NOKKHCPGFTUUMZ-UHFFFAOYSA-N -1 0 349.765 3.625 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)Nc1cccc(-c2nc(C)c(C)o2)c1)C(=O)[O-] ZINC000571742048 1035639049 /nfs/dbraw/zinc/63/90/49/1035639049.db2.gz AKNSLGJYXNPACL-MEBBXXQBSA-N -1 0 345.399 3.579 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC000431811952 1035645157 /nfs/dbraw/zinc/64/51/57/1035645157.db2.gz RQKIJJLUIRRKED-MBVDDHJVSA-N -1 0 329.440 3.925 20 0 EHADRM CC(C)(C)C[C@H]1CCN(C(=O)c2nn(-c3ccccc3F)cc2[O-])C1 ZINC000457039585 1035648637 /nfs/dbraw/zinc/64/86/37/1035648637.db2.gz YYJHPIUUHBQLAZ-CYBMUJFWSA-N -1 0 345.418 3.615 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2C(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC000540773738 1035668710 /nfs/dbraw/zinc/66/87/10/1035668710.db2.gz BDRHNUMXUUMOMN-IBGZPJMESA-N -1 0 337.419 3.990 20 0 EHADRM CCSc1ccccc1C(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000540773722 1035668920 /nfs/dbraw/zinc/66/89/20/1035668920.db2.gz AGZVYAUVNKODOD-UHFFFAOYSA-N -1 0 341.432 3.695 20 0 EHADRM CC(C)(C)C1=CCN(C(=O)c2cccc(Br)c2[O-])CC1 ZINC000534839146 1035686571 /nfs/dbraw/zinc/68/65/71/1035686571.db2.gz GHNYTIFYPCRQAP-UHFFFAOYSA-N -1 0 338.245 3.973 20 0 EHADRM O=C([O-])[C@H]1CC[C@@H]1C(=O)NCC1(c2ccc(Cl)cc2)CCCCC1 ZINC000507337043 1035689362 /nfs/dbraw/zinc/68/93/62/1035689362.db2.gz BANAADYJAIRRQY-HOTGVXAUSA-N -1 0 349.858 3.769 20 0 EHADRM Oc1c(Br)ccc(Cl)c1Nc1cnc2ccnn2c1 ZINC001204833744 1035691400 /nfs/dbraw/zinc/69/14/00/1035691400.db2.gz FUYJIIZYKSNQDH-UHFFFAOYSA-N -1 0 339.580 3.594 20 0 EHADRM CCN(CC(C)(C)C)C(=O)N=c1[n-]nc(/C=C\c2ccco2)s1 ZINC000463635372 1035703221 /nfs/dbraw/zinc/70/32/21/1035703221.db2.gz HWTGNQVIEBRPPO-HJWRWDBZSA-N -1 0 334.445 3.623 20 0 EHADRM COc1cc(C2(C(=O)Nc3cc(C(C)=O)ccc3[O-])CC2)ccc1C ZINC000540849692 1035731357 /nfs/dbraw/zinc/73/13/57/1035731357.db2.gz GYOCNQBQALOCPD-UHFFFAOYSA-N -1 0 339.391 3.582 20 0 EHADRM COc1ccc2c(CC(=O)Nc3cc(C(C)=O)ccc3[O-])coc2c1 ZINC000540849366 1035732071 /nfs/dbraw/zinc/73/20/71/1035732071.db2.gz VJAYQHSTUYRFQL-UHFFFAOYSA-N -1 0 339.347 3.531 20 0 EHADRM O=C([O-])c1cc(/C=C\c2ccc(Br)cc2Cl)ncn1 ZINC000534880816 1035739544 /nfs/dbraw/zinc/73/95/44/1035739544.db2.gz MKZSZAGNCUVUTD-RQOWECAXSA-N -1 0 339.576 3.761 20 0 EHADRM O=C([O-])c1cc2c(cccc2-c2cccc(CO[C@@H]3CCOC3)c2)[nH]1 ZINC000521069619 1035749799 /nfs/dbraw/zinc/74/97/99/1035749799.db2.gz OZHLGMJJNKSLMD-OAHLLOKOSA-N -1 0 337.375 3.839 20 0 EHADRM CCC[C@H]1C[C@@H](C(=O)Nc2ccc(Br)cc2O)CCO1 ZINC000540944987 1035830863 /nfs/dbraw/zinc/83/08/63/1035830863.db2.gz XJDXGUSHOFEXAW-JQWIXIFHSA-N -1 0 342.233 3.689 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cccc(C)c2)c2ncccc12 ZINC000463790708 1035836753 /nfs/dbraw/zinc/83/67/53/1035836753.db2.gz ZGZXXLMVAYXVRF-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N2CCC3(CCCCC3)CC2)s1 ZINC000588239553 1035836518 /nfs/dbraw/zinc/83/65/18/1035836518.db2.gz ZMQWNTMWUWOIBQ-UHFFFAOYSA-N -1 0 336.505 3.881 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N2[C@H](C)C[C@@H]2C)s1)c1ccccc1 ZINC000571970445 1035852763 /nfs/dbraw/zinc/85/27/63/1035852763.db2.gz WKBZJJOJBPKNLI-MBNYWOFBSA-N -1 0 330.457 3.517 20 0 EHADRM COc1ccccc1CC(C)(C)C(=O)Nc1ccc(F)c(F)c1[O-] ZINC000457286345 1035916578 /nfs/dbraw/zinc/91/65/78/1035916578.db2.gz FIYAVTFLHQEIGF-UHFFFAOYSA-N -1 0 335.350 3.886 20 0 EHADRM CCc1cccc(C)c1[N-]S(=O)(=O)c1c(F)cc(OC)cc1F ZINC000588623641 1035919523 /nfs/dbraw/zinc/91/95/23/1035919523.db2.gz HJANATGBBKCRPH-UHFFFAOYSA-N -1 0 341.379 3.645 20 0 EHADRM C[C@H]1[C@H](C(=O)Nc2ccc(F)c(F)c2[O-])CCN1c1ccccc1 ZINC000457284273 1035940762 /nfs/dbraw/zinc/94/07/62/1035940762.db2.gz BLQJBICBFLXAGG-WCQYABFASA-N -1 0 332.350 3.524 20 0 EHADRM CC1(C)Cc2ccsc2CN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000457318191 1035948257 /nfs/dbraw/zinc/94/82/57/1035948257.db2.gz IWHKGOGAWSCRMR-UHFFFAOYSA-N -1 0 341.354 3.848 20 0 EHADRM CSc1ccc(O)c(C(=O)N2CC[C@H](Oc3cccc(F)c3)C2)c1 ZINC000613457886 1035950713 /nfs/dbraw/zinc/95/07/13/1035950713.db2.gz DRXZSUDVUFESKR-AWEZNQCLSA-N -1 0 347.411 3.547 20 0 EHADRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1O ZINC000321522370 1035953502 /nfs/dbraw/zinc/95/35/02/1035953502.db2.gz HPCGROIKKJLHNF-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM O=C(CCCOCCc1ccccc1)Nc1ccc(F)c(F)c1[O-] ZINC000457305343 1035963778 /nfs/dbraw/zinc/96/37/78/1035963778.db2.gz YUQXGFXETSTDRY-UHFFFAOYSA-N -1 0 335.350 3.648 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cccc3c2CCCC3)Cc2ccccc2C1 ZINC000588685014 1035970850 /nfs/dbraw/zinc/97/08/50/1035970850.db2.gz PUTXHRPIBQQWTR-UHFFFAOYSA-N -1 0 349.430 3.764 20 0 EHADRM C/C=C/C[C@@H](NC(=O)Nc1ccc(OC2CCCC2)cc1)C(=O)[O-] ZINC000572198962 1036039382 /nfs/dbraw/zinc/03/93/82/1036039382.db2.gz YHTOKTTURKUNSH-WOMSROEHSA-N -1 0 332.400 3.549 20 0 EHADRM CC(C)(CNC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)c1cccs1 ZINC000325421580 1036049755 /nfs/dbraw/zinc/04/97/55/1036049755.db2.gz WMDXZEDGTNMVKB-IBGZPJMESA-N -1 0 345.464 3.575 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)s1 ZINC000321604070 1036054210 /nfs/dbraw/zinc/05/42/10/1036054210.db2.gz RNVWRALUOLYKKM-UGSOOPFHSA-N -1 0 331.437 3.666 20 0 EHADRM Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc2c1ccn2C ZINC000588833508 1036132728 /nfs/dbraw/zinc/13/27/28/1036132728.db2.gz NPFZMGPINSVUMR-UHFFFAOYSA-N -1 0 334.828 3.941 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)nn1[C@H](C)C1CC1 ZINC000541307606 1036177865 /nfs/dbraw/zinc/17/78/65/1036177865.db2.gz NQCCXXCIDTWEGA-OAHLLOKOSA-N -1 0 347.484 3.889 20 0 EHADRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1c(C)cccc1OC(F)F ZINC000175013747 1036203875 /nfs/dbraw/zinc/20/38/75/1036203875.db2.gz XCOFFFVSHJVMQG-UHFFFAOYSA-N -1 0 345.342 3.845 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)N=c3ncn(C4CCCCC4)[n-]3)cc2C1 ZINC000541442017 1036312396 /nfs/dbraw/zinc/31/23/96/1036312396.db2.gz NBEFSAXQVINGHX-GFCCVEGCSA-N -1 0 344.484 3.644 20 0 EHADRM Cc1ccccc1C1(C(=O)N=c2ccc(C(F)(F)F)n[n-]2)CCCC1 ZINC000464320230 1036320350 /nfs/dbraw/zinc/32/03/50/1036320350.db2.gz MAUJOTBNFSHWJN-UHFFFAOYSA-N -1 0 349.356 3.676 20 0 EHADRM O=C([O-])[C@@H](CC(=O)NCc1ccc2sccc2c1)c1ccccc1 ZINC000685896858 1036338059 /nfs/dbraw/zinc/33/80/59/1036338059.db2.gz ZLFPJAUPXPLEOR-INIZCTEOSA-N -1 0 339.416 3.776 20 0 EHADRM CN(CCCc1ccccc1)C(=O)c1cccc(Br)c1[O-] ZINC000535330915 1036344243 /nfs/dbraw/zinc/34/42/43/1036344243.db2.gz ZWNUFIIWFAECHH-UHFFFAOYSA-N -1 0 348.240 3.860 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)[C@H](C)C3CC3)n2)cc1 ZINC000175361680 1036349563 /nfs/dbraw/zinc/34/95/63/1036349563.db2.gz CFGZEMONSFYWHO-CYBMUJFWSA-N -1 0 327.428 3.572 20 0 EHADRM CC(C)[C@H](NC(=O)N=c1ncn(C(C)(C)C)[n-]1)c1ccccc1Cl ZINC000541503618 1036384568 /nfs/dbraw/zinc/38/45/68/1036384568.db2.gz JFXWKDVTGRHHMF-AWEZNQCLSA-N -1 0 349.866 3.627 20 0 EHADRM O=S(=O)([N-]c1cncc2ccccc21)c1cnc2ccsc2c1 ZINC000535387711 1036431458 /nfs/dbraw/zinc/43/14/58/1036431458.db2.gz IYVCAHYAHMZKOV-UHFFFAOYSA-N -1 0 341.417 3.645 20 0 EHADRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(F)c(C)c2)c1-c1ccccc1 ZINC000535395512 1036435107 /nfs/dbraw/zinc/43/51/07/1036435107.db2.gz YCTYIFXNXBINLH-UHFFFAOYSA-N -1 0 345.399 3.633 20 0 EHADRM Cc1cc([C@@H](NC(=O)Cc2ccc(C(=O)[O-])cc2)C2CC2)ccc1F ZINC000572737288 1036475793 /nfs/dbraw/zinc/47/57/93/1036475793.db2.gz WKKDVEIDADYSFM-IBGZPJMESA-N -1 0 341.382 3.642 20 0 EHADRM Cc1ccccc1[C@@]1(F)CCN(C(=O)CC2CCC(C(=O)[O-])CC2)C1 ZINC000572767291 1036512272 /nfs/dbraw/zinc/51/22/72/1036512272.db2.gz AJSLNQRXDFFKIX-ALLBUHFWSA-N -1 0 347.430 3.673 20 0 EHADRM CC[C@H](CC(=O)N[C@@](C)(CC(=O)[O-])C(C)C)c1ccc(OC)cc1 ZINC000263159705 1036535595 /nfs/dbraw/zinc/53/55/95/1036535595.db2.gz ZSLQCKMKDVGEIN-KUHUBIRLSA-N -1 0 335.444 3.585 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)[C@@H]1CCCc2cccnc21 ZINC000192770214 1036548649 /nfs/dbraw/zinc/54/86/49/1036548649.db2.gz OUFVFESTIDAWPD-GFCCVEGCSA-N -1 0 325.393 3.570 20 0 EHADRM Brc1ccccc1-c1ccc(CN=c2[n-]nco2)s1 ZINC000472579960 1036550983 /nfs/dbraw/zinc/55/09/83/1036550983.db2.gz JTGDOOODYNOQKI-UHFFFAOYSA-N -1 0 336.214 3.595 20 0 EHADRM COC(=O)Nc1ccc(OC(=O)c2ccc3[n-]c(=S)oc3c2)cc1 ZINC000493037371 1036570866 /nfs/dbraw/zinc/57/08/66/1036570866.db2.gz WYVBHKGECZTWTN-UHFFFAOYSA-N -1 0 344.348 3.514 20 0 EHADRM CCC[C@H]1CCCCN1C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000541704710 1036582932 /nfs/dbraw/zinc/58/29/32/1036582932.db2.gz MIOWULHPBPPAJY-AWEZNQCLSA-N -1 0 330.457 3.814 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(C)[C@@H]2CCCC[C@H]2C)n1 ZINC000176267916 1036592893 /nfs/dbraw/zinc/59/28/93/1036592893.db2.gz LVGPTCJDHALHRB-IUODEOHRSA-N -1 0 345.418 3.676 20 0 EHADRM Cc1ccccc1CN(C(=O)N=c1[n-]nc(CC(C)C)s1)C1CC1 ZINC000589712992 1036605362 /nfs/dbraw/zinc/60/53/62/1036605362.db2.gz QZKOFMIGCQJUBU-UHFFFAOYSA-N -1 0 344.484 3.663 20 0 EHADRM CC[C@H](C)CN(CC)C(=O)N=c1nc(-c2cccc(OC)c2)[n-]s1 ZINC000541757408 1036618598 /nfs/dbraw/zinc/61/85/98/1036618598.db2.gz ADGUGVDHZZTBAB-LBPRGKRZSA-N -1 0 348.472 3.536 20 0 EHADRM CN(CCC1CC1)C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000541797257 1036653956 /nfs/dbraw/zinc/65/39/56/1036653956.db2.gz IKSKLULGKAYVSS-UHFFFAOYSA-N -1 0 336.848 3.544 20 0 EHADRM Cn1cnc(/C=C(\CCCC(=O)[O-])c2nc3ccccc3s2)c1 ZINC000669818923 1036666678 /nfs/dbraw/zinc/66/66/78/1036666678.db2.gz KZEHDRJRLALIHJ-FMIVXFBMSA-N -1 0 327.409 3.825 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1ccc(SC)c(Cl)c1 ZINC000176731952 1036683522 /nfs/dbraw/zinc/68/35/22/1036683522.db2.gz FLPHRVVFWHRICJ-UHFFFAOYSA-N -1 0 343.857 3.871 20 0 EHADRM C[C@H]1CCC[C@@H](CC(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)C1 ZINC000263255036 1036738965 /nfs/dbraw/zinc/73/89/65/1036738965.db2.gz VSXBUPLYTGTZGT-MVJTYMMSSA-N -1 0 329.440 3.530 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2cccc(COCC3CC3)c2)c1 ZINC000263354108 1036801083 /nfs/dbraw/zinc/80/10/83/1036801083.db2.gz WKHIYRDKXMJFNX-UHFFFAOYSA-N -1 0 339.391 3.872 20 0 EHADRM Cc1ccc(C)c([C@H]2CCCN2C(=O)c2ccc(C(=O)[O-])c(C)n2)c1 ZINC000263371749 1036833316 /nfs/dbraw/zinc/83/33/16/1036833316.db2.gz YOTWKAIGTDXQGE-GOSISDBHSA-N -1 0 338.407 3.682 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(c2ccc3c(Cl)ccc(Cl)c3n2)C1 ZINC000263383799 1036841695 /nfs/dbraw/zinc/84/16/95/1036841695.db2.gz DFJBOBLCPIVWNG-HNNXBMFYSA-N -1 0 325.195 3.843 20 0 EHADRM C[C@@H]1CC[C@@H](CCC(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)O1 ZINC000263406780 1036868959 /nfs/dbraw/zinc/86/89/59/1036868959.db2.gz KWXNMAIYKGTQSM-OIISXLGYSA-N -1 0 339.476 3.654 20 0 EHADRM C[C@H](CC(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-])c1ccc(F)cc1F ZINC000263405154 1036869921 /nfs/dbraw/zinc/86/99/21/1036869921.db2.gz FXZJRGVMNADGAV-XFJVYGCCSA-N -1 0 339.382 3.608 20 0 EHADRM CC(C)Cc1ncc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cn1 ZINC000475833567 1036874198 /nfs/dbraw/zinc/87/41/98/1036874198.db2.gz NLZLMKVAJYPPJK-UHFFFAOYSA-N -1 0 333.457 3.599 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2ccccc2CCCC(=O)[O-])cc1C ZINC000282041229 1036875372 /nfs/dbraw/zinc/87/53/72/1036875372.db2.gz YXBRRLXKPSUILO-UHFFFAOYSA-N -1 0 347.436 3.512 20 0 EHADRM CC(C)CCc1ccc(S(=O)(=O)[N-]c2cccc3[nH]cnc32)cc1 ZINC000462376373 1036893570 /nfs/dbraw/zinc/89/35/70/1036893570.db2.gz QMFUDIYCXQVORH-UHFFFAOYSA-N -1 0 343.452 3.952 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cn1)c1ccc(-c2ccccc2)cc1 ZINC000177664488 1036905499 /nfs/dbraw/zinc/90/54/99/1036905499.db2.gz GMBGGWWMUMEZMH-UHFFFAOYSA-N -1 0 328.368 3.689 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H](CC(=O)[O-])C1CCCCC1 ZINC000539608142 1036970425 /nfs/dbraw/zinc/97/04/25/1036970425.db2.gz SGMCZLGYVQMRJX-ILXRZTDVSA-N -1 0 335.469 3.700 20 0 EHADRM CCCC[C@@H](C)N(C)C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263495736 1036983237 /nfs/dbraw/zinc/98/32/37/1036983237.db2.gz SSPZCALAFMFXNL-NVXWUHKLSA-N -1 0 334.460 3.683 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@]2(C(=O)[O-])CC=CCC2)C1 ZINC000653282588 1037021274 /nfs/dbraw/zinc/02/12/74/1037021274.db2.gz CGMGZJSOPBDGHW-QINHECLXSA-N -1 0 327.424 3.511 20 0 EHADRM Cc1ccc(NC2CCC(C(=O)[O-])CC2)c(OCC(F)(F)F)c1 ZINC000263513679 1037030371 /nfs/dbraw/zinc/03/03/71/1037030371.db2.gz ZQVAYNYZXIZEMZ-UHFFFAOYSA-N -1 0 331.334 3.991 20 0 EHADRM CCc1ccccc1CC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000263530514 1037060079 /nfs/dbraw/zinc/06/00/79/1037060079.db2.gz MEVWOYSVTAABJT-UHFFFAOYSA-N -1 0 325.408 3.792 20 0 EHADRM Cc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000303105030 1037103382 /nfs/dbraw/zinc/10/33/82/1037103382.db2.gz JADHZNURDUYBAL-UHFFFAOYSA-N -1 0 339.407 3.529 20 0 EHADRM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cc1 ZINC000542134957 1037110531 /nfs/dbraw/zinc/11/05/31/1037110531.db2.gz LYLBYLHRXBWPSE-TWFHAPMSSA-N -1 0 341.451 3.627 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000590949273 1037137093 /nfs/dbraw/zinc/13/70/93/1037137093.db2.gz SUTICSUXRATSOT-MAZHCROVSA-N -1 0 333.453 3.643 20 0 EHADRM O=C(N[C@H](c1nccs1)c1ccccc1)c1c([O-])cc(F)cc1F ZINC000590965094 1037145355 /nfs/dbraw/zinc/14/53/55/1037145355.db2.gz AMHUMGJJYQDDIX-HNNXBMFYSA-N -1 0 346.358 3.646 20 0 EHADRM COCCn1c2ccccc2nc1-c1ccc(C(=O)[O-])cc1Cl ZINC000542197719 1037153719 /nfs/dbraw/zinc/15/37/19/1037153719.db2.gz ZJMRVJCLWOPQPS-UHFFFAOYSA-N -1 0 330.771 3.701 20 0 EHADRM C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666510081 1037161114 /nfs/dbraw/zinc/16/11/14/1037161114.db2.gz LTPRPHGFYKNYMJ-KDOFPFPSSA-N -1 0 344.455 3.853 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)N(CC(=O)[O-])C(C)C)ccc21 ZINC000573053825 1037171509 /nfs/dbraw/zinc/17/15/09/1037171509.db2.gz CCYMQVDNSCOSHH-UHFFFAOYSA-N -1 0 331.416 3.624 20 0 EHADRM CC(C)Oc1c(F)cc([N-]S(=O)(=O)c2cccs2)cc1F ZINC000542235330 1037188070 /nfs/dbraw/zinc/18/80/70/1037188070.db2.gz AYYGPUUQADIQSI-UHFFFAOYSA-N -1 0 333.381 3.614 20 0 EHADRM CCN(C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C1CCCC1 ZINC000666557092 1037208423 /nfs/dbraw/zinc/20/84/23/1037208423.db2.gz WBMLCGGEQFFFPI-UHFFFAOYSA-N -1 0 333.819 3.636 20 0 EHADRM CC(C)c1ccc(CN(C)C(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC000666566361 1037214675 /nfs/dbraw/zinc/21/46/75/1037214675.db2.gz MKOQSGWWGUTJAP-UHFFFAOYSA-N -1 0 340.423 3.850 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000659133115 1037355519 /nfs/dbraw/zinc/35/55/19/1037355519.db2.gz LASJSAIBBFNBQQ-RTXFEEFZSA-N -1 0 329.421 3.652 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)c2ccc(C3CC3)cc2)sc1C(=O)[O-] ZINC000659143054 1037363263 /nfs/dbraw/zinc/36/32/63/1037363263.db2.gz LGVCXQUUYLVAQH-SNVBAGLBSA-N -1 0 330.409 3.518 20 0 EHADRM C[C@H](CNC(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1)CC(=O)[O-] ZINC000659144964 1037367421 /nfs/dbraw/zinc/36/74/21/1037367421.db2.gz LGESLDZIMXPHML-UGSOOPFHSA-N -1 0 345.826 3.699 20 0 EHADRM CCC1(C(=O)N2CC[C@@](C(=O)[O-])(C(C)C)C2)CCC(F)(F)CC1 ZINC000659151211 1037378443 /nfs/dbraw/zinc/37/84/43/1037378443.db2.gz JXXWMOXXJURJJN-INIZCTEOSA-N -1 0 331.403 3.551 20 0 EHADRM Cc1ccc(C(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)c(C)c1 ZINC000058036010 1037395373 /nfs/dbraw/zinc/39/53/73/1037395373.db2.gz KMTNGRBEZVBIAR-UHFFFAOYSA-N -1 0 341.432 3.925 20 0 EHADRM O=C([O-])C1(CC(=O)N2CCc3ccc(Cl)c(Cl)c3C2)CCC1 ZINC000659170703 1037410120 /nfs/dbraw/zinc/41/01/20/1037410120.db2.gz SIKIBILALITGRE-UHFFFAOYSA-N -1 0 342.222 3.523 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)C=Cc2nc3ccccc3s2)c1 ZINC000493508220 1037434327 /nfs/dbraw/zinc/43/43/27/1037434327.db2.gz COKHLEPBMBMGFL-CMDGGOBGSA-N -1 0 338.388 3.856 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)C[C@@H](C)c2ccccc2F)n1 ZINC000659186098 1037437504 /nfs/dbraw/zinc/43/75/04/1037437504.db2.gz FXWWGFJTKYMEBR-IUODEOHRSA-N -1 0 347.390 3.580 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cccc3ccccc32)[C@@H]2CCCC[C@H]12 ZINC000659192012 1037445808 /nfs/dbraw/zinc/44/58/08/1037445808.db2.gz FHHDLAJXSUXJTN-BHIYHBOVSA-N -1 0 337.419 3.945 20 0 EHADRM O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)c1ccc([O-])c(Cl)c1 ZINC000171092508 1037452740 /nfs/dbraw/zinc/45/27/40/1037452740.db2.gz UECIYKLUCZFZBE-DLBZAZTESA-N -1 0 331.799 3.696 20 0 EHADRM CCOc1ccc([C@H](N=c2nc(C)[n-]s2)C(C)C)cc1OCC ZINC000539995543 1037453469 /nfs/dbraw/zinc/45/34/69/1037453469.db2.gz WTXOUCFBFPNQDO-MRXNPFEDSA-N -1 0 335.473 3.875 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N3CC[C@H](C(=O)[O-])[C@H]4CCCC[C@H]43)cc2c1 ZINC000659197032 1037454543 /nfs/dbraw/zinc/45/45/43/1037454543.db2.gz ZIKHUHHPVQJCJM-RVKKMQEKSA-N -1 0 340.423 3.582 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCSc2ccccc2)[C@H]2CCCC[C@@H]12 ZINC000659194092 1037462653 /nfs/dbraw/zinc/46/26/53/1037462653.db2.gz LGFZSUDYTZHQNF-BBWFWOEESA-N -1 0 347.480 3.661 20 0 EHADRM CCc1ccc(CCC(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)cc1 ZINC000659194381 1037465803 /nfs/dbraw/zinc/46/58/03/1037465803.db2.gz MDIRLIBAELCUHN-FHWLQOOXSA-N -1 0 343.467 3.674 20 0 EHADRM Cc1ccc(OCCCCNC(=O)CC2CCC(C(=O)[O-])CC2)cc1 ZINC000573327424 1037467101 /nfs/dbraw/zinc/46/71/01/1037467101.db2.gz JYHVBKGISGCCJF-UHFFFAOYSA-N -1 0 347.455 3.551 20 0 EHADRM CC(C)[C@H](C(=O)NCc1ccoc1C(=O)[O-])c1cccc(Cl)c1 ZINC000659200568 1037475424 /nfs/dbraw/zinc/47/54/24/1037475424.db2.gz JDPPMNNDBVWUHB-AWEZNQCLSA-N -1 0 335.787 3.687 20 0 EHADRM CC(C)[C@@H](C(=O)NC[C@H](CC(=O)[O-])C1CC1)c1cccc(Cl)c1 ZINC000659211327 1037484428 /nfs/dbraw/zinc/48/44/28/1037484428.db2.gz XLYPQQSGGKWCIH-WMLDXEAASA-N -1 0 337.847 3.697 20 0 EHADRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cnn([C@H](C)C2CC2)c1 ZINC000187740578 1037495967 /nfs/dbraw/zinc/49/59/67/1037495967.db2.gz YQVZTXBDHGXTCQ-LLVKDONJSA-N -1 0 339.848 3.617 20 0 EHADRM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cnn([C@H](C)C2CC2)c1 ZINC000187740787 1037496298 /nfs/dbraw/zinc/49/62/98/1037496298.db2.gz NDAHCQRSIIGHKN-LLVKDONJSA-N -1 0 339.848 3.617 20 0 EHADRM CCc1onc(C)c1[N-]S(=O)(=O)c1ccc(OC)c2ccccc21 ZINC000134765664 1037545043 /nfs/dbraw/zinc/54/50/43/1037545043.db2.gz NEEFTUBXVCUNDX-UHFFFAOYSA-N -1 0 346.408 3.508 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)N[C@H]1CCC[C@]1(C)C(=O)[O-] ZINC000659237120 1037550718 /nfs/dbraw/zinc/55/07/18/1037550718.db2.gz AFDVLEHCGBLNDB-BBRMVZONSA-N -1 0 341.860 3.825 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)[N-]OCc1cccnc1 ZINC000152696890 1037557295 /nfs/dbraw/zinc/55/72/95/1037557295.db2.gz PSQLJXYUYJNRRJ-QGZVFWFLSA-N -1 0 328.412 3.610 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000659239915 1037561095 /nfs/dbraw/zinc/56/10/95/1037561095.db2.gz PECHGMFLXGEULN-PXNSSMCTSA-N -1 0 336.391 3.694 20 0 EHADRM O=C(/C=C\COCC(F)(F)F)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000493707112 1037570933 /nfs/dbraw/zinc/57/09/33/1037570933.db2.gz NMSMCJKQDKGQDH-UPHRSURJSA-N -1 0 344.116 3.773 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)c(F)c1 ZINC000460813164 1037592230 /nfs/dbraw/zinc/59/22/30/1037592230.db2.gz DUSOMXCEFUPXDI-UHFFFAOYSA-N -1 0 349.305 3.675 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000532564023 1037654001 /nfs/dbraw/zinc/65/40/01/1037654001.db2.gz LCDZFMBPTVYMSJ-QGZVFWFLSA-N -1 0 338.455 3.569 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)o1 ZINC000540213354 1037698981 /nfs/dbraw/zinc/69/89/81/1037698981.db2.gz JSSGAYFZGIWPDS-UHFFFAOYSA-N -1 0 333.331 3.884 20 0 EHADRM O=C([O-])CCSc1ccccc1-c1ccc(C2(CO)CC2)cc1 ZINC000573699078 1037725969 /nfs/dbraw/zinc/72/59/69/1037725969.db2.gz HIXXCNBSZRYIRK-UHFFFAOYSA-N -1 0 328.433 3.944 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)c1 ZINC000172907169 1037739021 /nfs/dbraw/zinc/73/90/21/1037739021.db2.gz WEPPDIAHDWVRFB-UHFFFAOYSA-N -1 0 331.315 3.536 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)NCCCC2CCCCC2)cc1C ZINC000475859897 1037740994 /nfs/dbraw/zinc/74/09/94/1037740994.db2.gz OSQUAHDKQSBTCK-QHCPKHFHSA-N -1 0 335.513 3.888 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2cccc(-c3ccnc(C)n3)c2)cc1 ZINC000031776699 1037789795 /nfs/dbraw/zinc/78/97/95/1037789795.db2.gz SVKAOMQHIBZBPY-UHFFFAOYSA-N -1 0 339.420 3.561 20 0 EHADRM CCc1cc(C)cc(CC)c1NC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000573905287 1037797915 /nfs/dbraw/zinc/79/79/15/1037797915.db2.gz HVTNQEVHCUBQDR-CQSZACIVSA-N -1 0 332.444 3.838 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc3ccccc3c2O)c2ccccc21 ZINC000669434549 1037852650 /nfs/dbraw/zinc/85/26/50/1037852650.db2.gz SMNRCOHVWLXEIQ-MRXNPFEDSA-N -1 0 347.370 3.764 20 0 EHADRM Cc1nc2ccc(CN=c3[n-]nc(CC4CCCC4)o3)cc2s1 ZINC000492025196 1037879977 /nfs/dbraw/zinc/87/99/77/1037879977.db2.gz SUFNOJLAFBHFSM-UHFFFAOYSA-N -1 0 328.441 3.754 20 0 EHADRM O=C([O-])CCOc1cccc(/C=C2\CSc3ccccc3C2=O)c1 ZINC000058464617 1037940103 /nfs/dbraw/zinc/94/01/03/1037940103.db2.gz OYJHHOKDMFDHHN-GXDHUFHOSA-N -1 0 340.400 3.912 20 0 EHADRM c1c2ccccc2oc1CSc1n[n-]c(=NC[C@@H]2CCCO2)s1 ZINC000532620906 1037942511 /nfs/dbraw/zinc/94/25/11/1037942511.db2.gz BZPUXMZQIYFKPU-LBPRGKRZSA-N -1 0 347.465 3.589 20 0 EHADRM COc1ccc(-c2n[n-]c(=NCc3ccc(Cl)c(C)c3)o2)cc1 ZINC000463262582 1037944865 /nfs/dbraw/zinc/94/48/65/1037944865.db2.gz ZJMUXYSCSREBIL-UHFFFAOYSA-N -1 0 329.787 3.741 20 0 EHADRM CCOc1cccc([C@H](C)NC(=O)c2cc(F)c(F)c([O-])c2F)c1 ZINC000183508107 1037953691 /nfs/dbraw/zinc/95/36/91/1037953691.db2.gz ZTBLXGKDLUHPAA-VIFPVBQESA-N -1 0 339.313 3.699 20 0 EHADRM CC(C)c1nnc([N-]S(=O)(=O)c2ccc3ccccc3c2)s1 ZINC000039891648 1037998218 /nfs/dbraw/zinc/99/82/18/1037998218.db2.gz RBPFGJUROUTDQN-UHFFFAOYSA-N -1 0 333.438 3.616 20 0 EHADRM C[C@@H]1CCC[C@H]1NC(=O)N=c1[n-]nc(C(C)(C)c2ccccc2)s1 ZINC000592529974 1038027523 /nfs/dbraw/zinc/02/75/23/1038027523.db2.gz MWNOKGCVDHCZQN-TZMCWYRMSA-N -1 0 344.484 3.596 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)/C=C\c2sc3ccccc3c2Cl)C1 ZINC000492181426 1038066140 /nfs/dbraw/zinc/06/61/40/1038066140.db2.gz MFFNCXDUAALUFY-OMMCCPJFSA-N -1 0 335.812 3.501 20 0 EHADRM C[C@@]([N-]S(=O)(=O)c1cccs1)(c1ccccc1)C(F)(F)F ZINC000463381812 1038084352 /nfs/dbraw/zinc/08/43/52/1038084352.db2.gz PPJXEAUEBNRRIS-GFCCVEGCSA-N -1 0 335.372 3.504 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)/C=C\c2ccc(OC(F)F)cc2)c1 ZINC000492199549 1038089851 /nfs/dbraw/zinc/08/98/51/1038089851.db2.gz WRFMPWANMWRLCF-TWGQIWQCSA-N -1 0 347.317 3.567 20 0 EHADRM Cc1ccc(S(=O)(=O)C=C([O-])c2cc(C)c(F)cc2F)cc1C ZINC000492195906 1038109581 /nfs/dbraw/zinc/10/95/81/1038109581.db2.gz XMDFYECAXNGHEZ-UHFFFAOYSA-N -1 0 338.375 3.547 20 0 EHADRM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCc3ccc(Cl)cc31)c2=O ZINC000124156056 1038144998 /nfs/dbraw/zinc/14/49/98/1038144998.db2.gz LXVGVZFRJPIIQM-UHFFFAOYSA-N -1 0 339.782 3.500 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)C1CCCCC1 ZINC000538515174 1038355979 /nfs/dbraw/zinc/35/59/79/1038355979.db2.gz KHWOXLOFCCMYMD-MCIONIFRSA-N -1 0 349.393 3.895 20 0 EHADRM C[C@H](CC(=O)NCC1(CC(=O)[O-])CCCCC1)Cc1cccc(F)c1 ZINC000538577221 1038399533 /nfs/dbraw/zinc/39/95/33/1038399533.db2.gz OBOQLWXJOWVIBG-HNNXBMFYSA-N -1 0 349.446 3.936 20 0 EHADRM CN(C(=O)CCc1ccccc1C(=O)[O-])[C@@H]1CCCc2ccccc21 ZINC000538575882 1038399563 /nfs/dbraw/zinc/39/95/63/1038399563.db2.gz PTMXQAKLPPQOKE-LJQANCHMSA-N -1 0 337.419 3.853 20 0 EHADRM Cc1ccc2cc(C(=O)NCC3(CC(=O)[O-])CCCCC3)[nH]c2c1 ZINC000538576881 1038400106 /nfs/dbraw/zinc/40/01/06/1038400106.db2.gz FJTYZUTVIXUOET-UHFFFAOYSA-N -1 0 328.412 3.631 20 0 EHADRM Cc1cc(F)ccc1CN=c1[n-]nc(CCCc2ccccc2)o1 ZINC000538593947 1038407618 /nfs/dbraw/zinc/40/76/18/1038407618.db2.gz POMWWHLRIUEDPW-UHFFFAOYSA-N -1 0 325.387 3.726 20 0 EHADRM C[C@H](CNC(=O)CC1(CCc2ccccc2)CCCC1)CC(=O)[O-] ZINC000538588915 1038420436 /nfs/dbraw/zinc/42/04/36/1038420436.db2.gz XDLLVDZMMLAJQP-INIZCTEOSA-N -1 0 331.456 3.797 20 0 EHADRM FC(F)(F)c1ccc(-c2ccc(CN=c3[n-]ncs3)o2)cc1 ZINC000538609331 1038432772 /nfs/dbraw/zinc/43/27/72/1038432772.db2.gz AGPTVJXPDLTPAA-UHFFFAOYSA-N -1 0 325.315 3.851 20 0 EHADRM CN(Cc1cccc(Br)c1)C(=O)c1ccc(F)cc1[O-] ZINC000228307608 1038527981 /nfs/dbraw/zinc/52/79/81/1038527981.db2.gz PMZXEZUCSOABRH-UHFFFAOYSA-N -1 0 338.176 3.566 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCSC[C@H]1C1CCC1 ZINC000416323909 1038533406 /nfs/dbraw/zinc/53/34/06/1038533406.db2.gz HESZCXVLSWBZGY-ZDUSSCGKSA-N -1 0 329.824 3.542 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cc(C)n(-c3ccccc3)n2)cc1 ZINC000538940024 1038605207 /nfs/dbraw/zinc/60/52/07/1038605207.db2.gz XEQZCNHFCMWPQA-UHFFFAOYSA-N -1 0 341.436 3.544 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)c2ccc3oc(=O)nc-3[n-]2)cc1C ZINC000667209884 1038710578 /nfs/dbraw/zinc/71/05/78/1038710578.db2.gz KNISCUJWXYBJOV-HNNXBMFYSA-N -1 0 337.379 3.523 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(SC(F)(F)F)cc2)C1 ZINC000261636100 1038777397 /nfs/dbraw/zinc/77/73/97/1038777397.db2.gz CQKBRQPLRZDVGE-CQSZACIVSA-N -1 0 347.358 3.625 20 0 EHADRM Fc1ccc(Oc2cccc(CN=c3[n-]c(C4CCC4)no3)n2)cc1 ZINC000651394274 1038782189 /nfs/dbraw/zinc/78/21/89/1038782189.db2.gz YURSHRSVKGTFMV-UHFFFAOYSA-N -1 0 340.358 3.698 20 0 EHADRM Cc1cccc2c1CC[C@@H]2NC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000910244988 1038784668 /nfs/dbraw/zinc/78/46/68/1038784668.db2.gz XOUSKXIWTJMUBP-DZIBYMRMSA-N -1 0 327.424 3.524 20 0 EHADRM CC[C@@H]1C[C@@H](C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CCO1 ZINC000910247971 1038787729 /nfs/dbraw/zinc/78/77/29/1038787729.db2.gz QFNKCDCZPXPJJC-QWHCGFSZSA-N -1 0 327.380 3.682 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)Cc2cccc(C(F)F)c2)cc1 ZINC000910301746 1038817033 /nfs/dbraw/zinc/81/70/33/1038817033.db2.gz WESBCZUEFVOXMB-JKSUJKDBSA-N -1 0 345.345 3.994 20 0 EHADRM Cc1ccc2[nH]c([C@@H]3CCCN3c3ccc(C(=O)[O-])c(C)n3)nc2c1 ZINC000910354904 1038876037 /nfs/dbraw/zinc/87/60/37/1038876037.db2.gz IPRIZNYDQHFKDG-INIZCTEOSA-N -1 0 336.395 3.614 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)CCCc1ccccc1Cl)CC2 ZINC000910391857 1038896995 /nfs/dbraw/zinc/89/69/95/1038896995.db2.gz POBNLFCXCNSCGG-QAPCUYQASA-N -1 0 335.831 3.519 20 0 EHADRM Cc1cccc(C)c1CS(=O)(=O)[N-][C@H](c1ccccc1)C(F)F ZINC000549451738 1038913561 /nfs/dbraw/zinc/91/35/61/1038913561.db2.gz FYUCDKJRKMFGBG-MRXNPFEDSA-N -1 0 339.407 3.729 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)c2ccc(-c3ccccc3F)o2)s1 ZINC000615153129 1038927498 /nfs/dbraw/zinc/92/74/98/1038927498.db2.gz CLVBWHLTQHGGST-UHFFFAOYSA-N -1 0 345.399 3.909 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCCSC[C@H]1c1ccccc1 ZINC000910517917 1038940616 /nfs/dbraw/zinc/94/06/16/1038940616.db2.gz XOTNQTSFEBASJM-HNNXBMFYSA-N -1 0 335.469 3.584 20 0 EHADRM Cc1cccc(N=c2[n-]nc(SC[C@H]3CCC[C@@H](O)C3)s2)c1 ZINC000488225229 1038985247 /nfs/dbraw/zinc/98/52/47/1038985247.db2.gz BUMLBEZCISVAKO-GXTWGEPZSA-N -1 0 335.498 3.655 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N2CC3(CCC3)[C@@H]2C(C)C)s1 ZINC000432742465 1039003620 /nfs/dbraw/zinc/00/36/20/1039003620.db2.gz SNNRABGLQRGPEP-AWEZNQCLSA-N -1 0 336.505 3.735 20 0 EHADRM CCc1c(NC(=O)c2oc(C(=O)[O-])cc2C)cnn1C(CC)CC ZINC000910657384 1039005941 /nfs/dbraw/zinc/00/59/41/1039005941.db2.gz XIKSDNIQQCQIQF-UHFFFAOYSA-N -1 0 333.388 3.659 20 0 EHADRM Cc1cn(C2CCCCC2)nc1NC(=O)c1cc(C(=O)[O-])oc1C ZINC000910647599 1039015509 /nfs/dbraw/zinc/01/55/09/1039015509.db2.gz GQOAXVDUYUFPIK-UHFFFAOYSA-N -1 0 331.372 3.549 20 0 EHADRM COc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c1 ZINC000485395207 1039025523 /nfs/dbraw/zinc/02/55/23/1039025523.db2.gz MLJKSYXOXICHRJ-UHFFFAOYSA-N -1 0 332.208 3.803 20 0 EHADRM CC(C)c1sc(NC(=O)c2ccccc2OC2CC2)nc1C(=O)[O-] ZINC000910701670 1039028502 /nfs/dbraw/zinc/02/85/02/1039028502.db2.gz VQSXLQGKPQPLMF-UHFFFAOYSA-N -1 0 346.408 3.758 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)CC2(C)CCCC2)nc1C(=O)[O-] ZINC000910724779 1039032935 /nfs/dbraw/zinc/03/29/35/1039032935.db2.gz UCUIYDRUTOWRHY-LBPRGKRZSA-N -1 0 336.457 3.784 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)[C@H]2CCC[C@H](C)C2)nc1C(=O)[O-] ZINC000910727749 1039035787 /nfs/dbraw/zinc/03/57/87/1039035787.db2.gz AKAHYLYXTFTZLK-DRZSPHRISA-N -1 0 336.457 3.640 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)C=C2CCC(C)CC2)nc1C(=O)[O-] ZINC000910731061 1039038491 /nfs/dbraw/zinc/03/84/91/1039038491.db2.gz MQSVHDXBKAOQDY-IAXJKZSUSA-N -1 0 348.468 3.950 20 0 EHADRM Cc1ccc(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)c(C2CC2)n1 ZINC000910739915 1039048459 /nfs/dbraw/zinc/04/84/59/1039048459.db2.gz SNXGLZAEPNUSFT-UHFFFAOYSA-N -1 0 343.408 3.552 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)C[C@H](C)c2ccco2)nc1C(=O)[O-] ZINC000910717109 1039054552 /nfs/dbraw/zinc/05/45/52/1039054552.db2.gz BXBKQBFZARAFFF-CMPLNLGQSA-N -1 0 348.424 3.600 20 0 EHADRM Cc1cccc([C@@H]([N-]S(=O)(=O)c2cccc(F)c2)C(F)(F)F)c1 ZINC000512432144 1039105815 /nfs/dbraw/zinc/10/58/15/1039105815.db2.gz NPLRCKBMCDBSOT-CQSZACIVSA-N -1 0 347.333 3.716 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc3c(ccc4ccccc34)o2)C[C@H]1CC(=O)[O-] ZINC000910855333 1039121777 /nfs/dbraw/zinc/12/17/77/1039121777.db2.gz UDRPZAYMVNBBLI-TZMCWYRMSA-N -1 0 337.375 3.769 20 0 EHADRM O=C([O-])c1coc(/C=C/C(=O)N(Cc2cccc(F)c2)C2CCC2)c1 ZINC000910952758 1039154622 /nfs/dbraw/zinc/15/46/22/1039154622.db2.gz XVBYBYCVSDRITP-BQYQJAHWSA-N -1 0 343.354 3.711 20 0 EHADRM COc1ccc([C@H](C)NC(=O)CCc2ccccc2C(=O)[O-])cc1C ZINC000910986131 1039179816 /nfs/dbraw/zinc/17/98/16/1039179816.db2.gz IXXIJLSJROUOCV-AWEZNQCLSA-N -1 0 341.407 3.512 20 0 EHADRM CCNc1ccc(C(=O)[O-])cc1NC(=O)c1ccnn1C(CC)CC ZINC000911083810 1039216191 /nfs/dbraw/zinc/21/61/91/1039216191.db2.gz RYZNLJGODASYRP-UHFFFAOYSA-N -1 0 344.415 3.627 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc(Cl)c(Cl)c1)C1CCCCC1 ZINC000675993501 1039265654 /nfs/dbraw/zinc/26/56/54/1039265654.db2.gz GKNSLFHZYCOUME-UHFFFAOYSA-N -1 0 330.211 3.853 20 0 EHADRM CCCCC[C@H](C)CC(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000236856934 1039269100 /nfs/dbraw/zinc/26/91/00/1039269100.db2.gz HBQFJAYPLCOVSX-CMPLNLGQSA-N -1 0 326.462 3.933 20 0 EHADRM CCCCC[C@@H](NC(=O)c1sc(-c2ccccc2)nc1C)C(=O)[O-] ZINC000236849873 1039269678 /nfs/dbraw/zinc/26/96/78/1039269678.db2.gz LVUVGHKYJSGJQC-CQSZACIVSA-N -1 0 346.452 3.882 20 0 EHADRM C[C@](CC(=O)N(Cc1cccs1)C1CC1)(C(=O)[O-])c1ccccc1 ZINC000324207272 1039270436 /nfs/dbraw/zinc/27/04/36/1039270436.db2.gz OLYNXDANNWEPJO-LJQANCHMSA-N -1 0 343.448 3.672 20 0 EHADRM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1s[n-]c(=O)c1Cl ZINC000339250666 1039276504 /nfs/dbraw/zinc/27/65/04/1039276504.db2.gz XIOYMOLHOKQCQL-LURJTMIESA-N -1 0 332.759 3.614 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1cc(C)nn1-c1ccccc1 ZINC000488580844 1039283859 /nfs/dbraw/zinc/28/38/59/1039283859.db2.gz LERLERBSHVYMTE-UHFFFAOYSA-N -1 0 341.436 3.544 20 0 EHADRM CC1(C)C[C@@H](N=c2[n-]nc(C(F)F)s2)c2cc(F)ccc2O1 ZINC000651415339 1039293029 /nfs/dbraw/zinc/29/30/29/1039293029.db2.gz BKPUVUMUMQOKDB-SECBINFHSA-N -1 0 329.347 3.751 20 0 EHADRM C/C=C(\CC)C(=O)N(Cc1ccoc1C(=O)[O-])[C@@H](C)c1ccccn1 ZINC000911332172 1039323317 /nfs/dbraw/zinc/32/33/17/1039323317.db2.gz XGRRMHUORUSTHC-MCOWIHPBSA-N -1 0 342.395 3.819 20 0 EHADRM COc1ccc2c(c1[N-]S(=O)(=O)c1ccccc1Cl)CCC2 ZINC000480230774 1039334092 /nfs/dbraw/zinc/33/40/92/1039334092.db2.gz RPNYFIPBFQTDGR-UHFFFAOYSA-N -1 0 337.828 3.638 20 0 EHADRM O=S(=O)(CCc1ccccc1)[N-]c1cc(F)ccc1OCC1CC1 ZINC000480234202 1039335119 /nfs/dbraw/zinc/33/51/19/1039335119.db2.gz WLFHTBMNWSFDKV-UHFFFAOYSA-N -1 0 349.427 3.599 20 0 EHADRM C[C@H](CC(=O)N(CCC(=O)[O-])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000237512113 1039346266 /nfs/dbraw/zinc/34/62/66/1039346266.db2.gz BFHXPXSHOQINCT-LLVKDONJSA-N -1 0 343.345 3.665 20 0 EHADRM Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000911400763 1039352994 /nfs/dbraw/zinc/35/29/94/1039352994.db2.gz YOSDLIUBRKJGKP-FSNWXROXSA-N -1 0 343.354 3.802 20 0 EHADRM Cc1cccc([C@H](C)CNC(=O)c2ccccc2CCC(=O)[O-])c1 ZINC000911426909 1039357834 /nfs/dbraw/zinc/35/78/34/1039357834.db2.gz JVDJGWSSKTVQHR-OAHLLOKOSA-N -1 0 325.408 3.546 20 0 EHADRM CC(C)(C)[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000485655779 1039360788 /nfs/dbraw/zinc/36/07/88/1039360788.db2.gz XZDPDTPZVIFART-YNEHKIRRSA-N -1 0 343.345 3.630 20 0 EHADRM Cc1ccc(-c2noc(=N[C@H](C)[C@H]3OCCc4sccc43)[n-]2)cc1 ZINC000488769155 1039388963 /nfs/dbraw/zinc/38/89/63/1039388963.db2.gz YJPOOVRPZZWWQY-MLGOLLRUSA-N -1 0 341.436 3.643 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000911529865 1039398491 /nfs/dbraw/zinc/39/84/91/1039398491.db2.gz HHUHFHLNAKKSFG-OAHLLOKOSA-N -1 0 343.427 3.508 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N=c1[n-]nc(C2CC2)s1 ZINC000554488274 1039413817 /nfs/dbraw/zinc/41/38/17/1039413817.db2.gz LTXGOTCFRKGXFL-UHFFFAOYSA-N -1 0 333.413 3.752 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1ccc(SC(F)F)cc1 ZINC000728922539 1039427185 /nfs/dbraw/zinc/42/71/85/1039427185.db2.gz JSVUFNCJKHRLCI-SFYZADRCSA-N -1 0 335.397 3.535 20 0 EHADRM Cc1csc(CCCC(=O)Nc2cc(C(=O)[O-])c(C)cc2F)n1 ZINC000911688458 1039463142 /nfs/dbraw/zinc/46/31/42/1039463142.db2.gz HSZWRBQJQIUPJX-UHFFFAOYSA-N -1 0 336.388 3.559 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000236690621 1039470071 /nfs/dbraw/zinc/47/00/71/1039470071.db2.gz XEXZASROOCJAKS-LJQANCHMSA-N -1 0 348.418 3.779 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])o1 ZINC000326654455 1039473874 /nfs/dbraw/zinc/47/38/74/1039473874.db2.gz BSOCOOAEXFODFT-GJVDQKBNSA-N -1 0 345.439 3.580 20 0 EHADRM CSc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)o1 ZINC000911739620 1039480880 /nfs/dbraw/zinc/48/08/80/1039480880.db2.gz VYMAMAJMEUIAGJ-UHFFFAOYSA-N -1 0 335.381 3.739 20 0 EHADRM CCc1ccc([C@H]2CCN(C(=O)c3cccc(CC(=O)[O-])c3)C2)cc1 ZINC000911755470 1039487321 /nfs/dbraw/zinc/48/73/21/1039487321.db2.gz BPXWBJOOPCYSBS-IBGZPJMESA-N -1 0 337.419 3.506 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(C)c(C)c3ncccc23)c(C)o1 ZINC000345071731 1039619928 /nfs/dbraw/zinc/61/99/28/1039619928.db2.gz QOUJKRSURLNTRI-UHFFFAOYSA-N -1 0 330.409 3.862 20 0 EHADRM C[C@@H](NC(=O)N=c1cccn[n-]1)c1ccccc1Oc1ccccc1 ZINC000478685731 1039639605 /nfs/dbraw/zinc/63/96/05/1039639605.db2.gz OEDRVTSNSHQBJA-CQSZACIVSA-N -1 0 334.379 3.574 20 0 EHADRM CCOc1ccc(C[C@@H](CNC(=O)C[C@H](C)C(C)(C)C)C(=O)[O-])cc1 ZINC000485883834 1039646949 /nfs/dbraw/zinc/64/69/49/1039646949.db2.gz PDDGFJBPBCFCBV-HOCLYGCPSA-N -1 0 349.471 3.517 20 0 EHADRM CC(C)(CN=c1[n-]nc(-c2ccon2)s1)c1ccc(Cl)cc1 ZINC000552951078 1039652492 /nfs/dbraw/zinc/65/24/92/1039652492.db2.gz SWPAVUXHHKJYFA-UHFFFAOYSA-N -1 0 334.832 3.658 20 0 EHADRM COCCC[C@@H](Cc1ccccc1)N=c1nc(C(C)(C)C)[n-]s1 ZINC000480557045 1039693037 /nfs/dbraw/zinc/69/30/37/1039693037.db2.gz WHYBGJHYUYTRQA-HNNXBMFYSA-N -1 0 333.501 3.707 20 0 EHADRM FC(F)(F)c1nc(=NCc2c(Cl)cccc2Cl)s[n-]1 ZINC000553008970 1039702303 /nfs/dbraw/zinc/70/23/03/1039702303.db2.gz ZACWGKRWYZHFOS-UHFFFAOYSA-N -1 0 328.146 3.898 20 0 EHADRM Cc1cc2c(cc1C)O[C@H](C(=O)Nc1cc(C)c(C)c(C(=O)[O-])c1)C2 ZINC000485940610 1039705458 /nfs/dbraw/zinc/70/54/58/1039705458.db2.gz MEEKIGGLUKJDHN-SFHVURJKSA-N -1 0 339.391 3.561 20 0 EHADRM Clc1cc(Cl)cc(-c2n[n-]c(=N[C@@H]3CCSC3)s2)c1 ZINC000480579999 1039723334 /nfs/dbraw/zinc/72/33/34/1039723334.db2.gz MEFAKOBGIPGBAJ-SNVBAGLBSA-N -1 0 332.281 3.851 20 0 EHADRM Cc1ccc(Cc2n[n-]c(=NC(=O)N3CCCCC[C@@H]3C)s2)cc1 ZINC000512543605 1039827193 /nfs/dbraw/zinc/82/71/93/1039827193.db2.gz GUVVOHSRESNCOR-AWEZNQCLSA-N -1 0 344.484 3.656 20 0 EHADRM Cc1cc([C@H](NCc2csc(C3CC3)n2)C(=O)[O-])ccc1Cl ZINC000417567889 1040017126 /nfs/dbraw/zinc/01/71/26/1040017126.db2.gz JUSODOUABKMGOC-AWEZNQCLSA-N -1 0 336.844 3.898 20 0 EHADRM COCc1ccc(CN[C@]2(C(=O)[O-])C[C@H](C(C)C)c3ccccc32)o1 ZINC000417577349 1040020871 /nfs/dbraw/zinc/02/08/71/1040020871.db2.gz JDIRCFNRMVSMPK-YLJYHZDGSA-N -1 0 343.423 3.639 20 0 EHADRM CSc1ccc(O[C@@H](C)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000486287365 1040040512 /nfs/dbraw/zinc/04/05/12/1040040512.db2.gz XDLVSIKQNAWTBL-LBPRGKRZSA-N -1 0 345.420 3.821 20 0 EHADRM COc1ccc(CNc2cccc(C(=O)[O-])c2OC(C)C)cc1OC ZINC000417591013 1040043113 /nfs/dbraw/zinc/04/31/13/1040043113.db2.gz RMDCPMZEDKYVOO-UHFFFAOYSA-N -1 0 345.395 3.801 20 0 EHADRM Cc1csc(CN[C@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)n1 ZINC000417593408 1040048126 /nfs/dbraw/zinc/04/81/26/1040048126.db2.gz VBPLWQLMLRBPJB-GFCCVEGCSA-N -1 0 344.358 3.776 20 0 EHADRM C[C@@H](CC(=O)[O-])c1ccc(NCc2nccn2CC(F)(F)F)cc1 ZINC000417605341 1040058240 /nfs/dbraw/zinc/05/82/40/1040058240.db2.gz AXIGCKSJAHVBEK-NSHDSACASA-N -1 0 341.333 3.636 20 0 EHADRM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c1O ZINC000570508511 1040075601 /nfs/dbraw/zinc/07/56/01/1040075601.db2.gz CAWRRCBSXORFRB-UHFFFAOYSA-N -1 0 347.436 3.594 20 0 EHADRM CCOc1cccc(CNc2ccc(C[C@H](CC)C(=O)[O-])cc2)n1 ZINC000417611678 1040078944 /nfs/dbraw/zinc/07/89/44/1040078944.db2.gz PRXJDQUKZWXBGY-HNNXBMFYSA-N -1 0 328.412 3.746 20 0 EHADRM CSc1ccc(CCC(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000907549738 1040090938 /nfs/dbraw/zinc/09/09/38/1040090938.db2.gz ISZGNGMBVADGIE-AWEZNQCLSA-N -1 0 349.477 3.735 20 0 EHADRM CSCc1ccc(NC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)cc1 ZINC000907564263 1040096977 /nfs/dbraw/zinc/09/69/77/1040096977.db2.gz BXSRHBRNHICIIZ-APWZRJJASA-N -1 0 341.432 3.747 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)c2cc(C3CC3)oc2C2CC2)C1 ZINC000907660142 1040119923 /nfs/dbraw/zinc/11/99/23/1040119923.db2.gz VUAZPMUDKQCVKP-IBGZPJMESA-N -1 0 331.412 3.607 20 0 EHADRM O=C([O-])CC[C@@H](CC1CCCCC1)NC(=O)c1ccnn1C1CCC1 ZINC000907684582 1040129204 /nfs/dbraw/zinc/12/92/04/1040129204.db2.gz XTCXAKMDQCGTAV-HNNXBMFYSA-N -1 0 347.459 3.542 20 0 EHADRM COc1cc(CNc2ccc(S[C@H](C)C(=O)[O-])cc2)cc(OC)c1 ZINC000417658968 1040138750 /nfs/dbraw/zinc/13/87/50/1040138750.db2.gz OADLBOARUICHNL-GFCCVEGCSA-N -1 0 347.436 3.881 20 0 EHADRM COc1ccc(CNc2ccc(S[C@@H](C)C(=O)[O-])cc2)cc1OC ZINC000417664379 1040141573 /nfs/dbraw/zinc/14/15/73/1040141573.db2.gz XUFAIVPGLRQFHT-LBPRGKRZSA-N -1 0 347.436 3.881 20 0 EHADRM Cc1oc(C(C)(C)C)cc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000907735509 1040152840 /nfs/dbraw/zinc/15/28/40/1040152840.db2.gz KIFMTWKNEPQJCK-YDHLFZDLSA-N -1 0 333.428 3.601 20 0 EHADRM CC(C)Oc1c(NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C[C@@H]2C)cccc1C(=O)[O-] ZINC000907847867 1040198348 /nfs/dbraw/zinc/19/83/48/1040198348.db2.gz PXDQYAKEQFGEQU-PWNZVWSESA-N -1 0 331.412 3.793 20 0 EHADRM CC1(C)CCCc2sc([N-]S(=O)(=O)c3ccccc3F)nc21 ZINC000555141987 1040204929 /nfs/dbraw/zinc/20/49/29/1040204929.db2.gz GACVTKGEYQMNKK-UHFFFAOYSA-N -1 0 340.445 3.697 20 0 EHADRM Clc1cccc(CCCN=c2[n-]nc(C3CCOCC3)s2)c1 ZINC000555138333 1040224669 /nfs/dbraw/zinc/22/46/69/1040224669.db2.gz RLXGWOMZZDCGEK-UHFFFAOYSA-N -1 0 337.876 3.552 20 0 EHADRM Cc1c(C(=O)N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@H]23)oc2c1c(C)ccc2C ZINC000907932973 1040232252 /nfs/dbraw/zinc/23/22/52/1040232252.db2.gz LZQUPESAEJAQMF-ZQDZILKHSA-N -1 0 341.407 3.587 20 0 EHADRM C[C@@H]1CC[C@H](c2nnc([N-]c3ccccc3OCC(F)(F)F)o2)O1 ZINC000899245976 1040233456 /nfs/dbraw/zinc/23/34/56/1040233456.db2.gz AINRDLAPIJRYGN-BXKDBHETSA-N -1 0 343.305 3.994 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C(C)C)on2)cc1Cl ZINC000432945714 1040249377 /nfs/dbraw/zinc/24/93/77/1040249377.db2.gz AAUSGYWWMSVEMC-UHFFFAOYSA-N -1 0 344.820 3.569 20 0 EHADRM C[C@H](c1ccc(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)cc1)C(F)(F)F ZINC000908035864 1040273493 /nfs/dbraw/zinc/27/34/93/1040273493.db2.gz TXZPCUSJASSXEU-ZWNOBZJWSA-N -1 0 345.361 3.972 20 0 EHADRM O=S(=O)(NCC[C@H]1CCC(F)(F)C1)c1cc2ccccc2o1 ZINC000908064603 1040283700 /nfs/dbraw/zinc/28/37/00/1040283700.db2.gz FJSIOAJMCCSTJW-LLVKDONJSA-N -1 0 329.368 3.537 20 0 EHADRM CN(C(=O)c1ccccc1OC1CCC1)c1cccc(CC(=O)[O-])c1 ZINC000908078787 1040289438 /nfs/dbraw/zinc/28/94/38/1040289438.db2.gz CLHWRQGASVMPKY-UHFFFAOYSA-N -1 0 339.391 3.522 20 0 EHADRM CCOc1ccc(S(=O)(=O)C(C)=C([O-])c2ccc(CC)cc2)cc1 ZINC000486623847 1040292438 /nfs/dbraw/zinc/29/24/38/1040292438.db2.gz DRVOAIQSJQZGBY-CQSZACIVSA-N -1 0 346.448 3.693 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000236940107 1040303197 /nfs/dbraw/zinc/30/31/97/1040303197.db2.gz YFYSXWSGLSRDEZ-YPMHNXCESA-N -1 0 338.473 3.933 20 0 EHADRM CC(C)N(C)c1cccc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000899311913 1040311038 /nfs/dbraw/zinc/31/10/38/1040311038.db2.gz SKIBZOMTLBATJQ-MRXNPFEDSA-N -1 0 347.459 3.782 20 0 EHADRM CCCN(C)c1ccccc1NC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000899313214 1040313353 /nfs/dbraw/zinc/31/33/53/1040313353.db2.gz HZWCTQYTJXJEON-HNNXBMFYSA-N -1 0 347.459 3.784 20 0 EHADRM CSc1cc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])ccc1C ZINC000899313669 1040315958 /nfs/dbraw/zinc/31/59/58/1040315958.db2.gz PJSFBJAFVWYRQG-AWEZNQCLSA-N -1 0 336.457 3.968 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Nc1ccc(C2CC2)cc1F ZINC000899317741 1040318721 /nfs/dbraw/zinc/31/87/21/1040318721.db2.gz PFOKCUAOGGKLJE-CQSZACIVSA-N -1 0 334.391 3.954 20 0 EHADRM CCCN(CC(=O)[O-])Cc1coc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000629360257 1040328452 /nfs/dbraw/zinc/32/84/52/1040328452.db2.gz OMTUEMIONGAAQM-UHFFFAOYSA-N -1 0 343.210 3.945 20 0 EHADRM Cc1ccc([C@@H](C)[C@@H](O)C(=O)Nc2cc(Cl)c([O-])cc2F)cc1 ZINC000553688144 1040335445 /nfs/dbraw/zinc/33/54/45/1040335445.db2.gz CDLWDLHFSPFQFG-QLJPJBMISA-N -1 0 337.778 3.596 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(C)(C)C)c2O)s1 ZINC000479564169 1040387620 /nfs/dbraw/zinc/38/76/20/1040387620.db2.gz DYYUUEKCIAORGD-UHFFFAOYSA-N -1 0 325.455 3.860 20 0 EHADRM COc1ccc(C(=O)NCCCCC2(C(=O)[O-])CCC2)cc1C1CC1 ZINC000908336502 1040398772 /nfs/dbraw/zinc/39/87/72/1040398772.db2.gz MPWOVTLEUQYMBD-UHFFFAOYSA-N -1 0 345.439 3.728 20 0 EHADRM COCc1ccccc1S(=O)(=O)[N-]c1nc2c(cccc2C)s1 ZINC000486758728 1040414003 /nfs/dbraw/zinc/41/40/03/1040414003.db2.gz LPBUSLNVVHQYFI-UHFFFAOYSA-N -1 0 348.449 3.552 20 0 EHADRM O=C(Nc1ccc(C(=O)C2CCC2)cc1)c1cc(=O)c2ccccc2[n-]1 ZINC000490301605 1040486903 /nfs/dbraw/zinc/48/69/03/1040486903.db2.gz QNMYZXFNGVCPTR-UHFFFAOYSA-N -1 0 346.386 3.763 20 0 EHADRM O=C(Nc1ccc(Oc2ccncc2)cc1)c1s[n-]c(=O)c1Cl ZINC000339257618 1040505795 /nfs/dbraw/zinc/50/57/95/1040505795.db2.gz YOZZSIONMUVWMU-UHFFFAOYSA-N -1 0 347.783 3.942 20 0 EHADRM COc1cc(Nc2ccc(C(=O)[O-])c(C)c2)c(C(C)=O)cc1OC ZINC001211654956 1040519338 /nfs/dbraw/zinc/51/93/38/1040519338.db2.gz GQZHDZZASXICEZ-UHFFFAOYSA-N -1 0 329.352 3.657 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2C[C@@H](C)CCC[C@@H]2C)n1 ZINC000468745895 1040533392 /nfs/dbraw/zinc/53/33/92/1040533392.db2.gz WJYVWRGEBMSXSC-JSGCOSHPSA-N -1 0 345.418 3.676 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N[C@H](C)c1cccc(OC(C)C)c1 ZINC000908718973 1040589342 /nfs/dbraw/zinc/58/93/42/1040589342.db2.gz GAARSCOYOPSFNW-GFCCVEGCSA-N -1 0 331.368 3.564 20 0 EHADRM CC(C)N(Cc1cccc(Cl)c1)C(=O)c1ccoc1CC(=O)[O-] ZINC000908724190 1040593747 /nfs/dbraw/zinc/59/37/47/1040593747.db2.gz SVHNVHOVXZDXDM-UHFFFAOYSA-N -1 0 335.787 3.611 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)c1ccoc1CC(=O)[O-])c1ccccc1 ZINC000908730589 1040612786 /nfs/dbraw/zinc/61/27/86/1040612786.db2.gz YIKCPQAPAQMSOT-OAHLLOKOSA-N -1 0 329.396 3.814 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CCC[C@H](c2ccccc2)CC1 ZINC000908776775 1040634207 /nfs/dbraw/zinc/63/42/07/1040634207.db2.gz TZOYYEUBYSVRLC-HNNXBMFYSA-N -1 0 327.380 3.696 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN(C(=O)C23CCC(C(=O)[O-])(CC2)C3)C1 ZINC000908801397 1040657531 /nfs/dbraw/zinc/65/75/31/1040657531.db2.gz AYSYEZZDWHIHDZ-QNGMFEMESA-N -1 0 341.451 3.602 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2C(=O)c2ccoc2CC(=O)[O-])cc1 ZINC000908801106 1040657962 /nfs/dbraw/zinc/65/79/62/1040657962.db2.gz ZXSKZLUBZHQHHM-INIZCTEOSA-N -1 0 327.380 3.583 20 0 EHADRM Cc1ccc([C@H]2CCCCCN2C(=O)c2csc(C(=O)[O-])n2)o1 ZINC000908817553 1040664071 /nfs/dbraw/zinc/66/40/71/1040664071.db2.gz SLDTYGXRHATUBJ-GFCCVEGCSA-N -1 0 334.397 3.500 20 0 EHADRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cc(C)c(C)s1)c1ccccc1 ZINC000191814725 1040692314 /nfs/dbraw/zinc/69/23/14/1040692314.db2.gz CWYXQVXKEXPBRK-HZPDHXFCSA-N -1 0 340.448 3.955 20 0 EHADRM Cc1nc(-c2ccc(C(=O)N(CCC(=O)[O-])CC(C)C)cc2)cs1 ZINC000908861313 1040694804 /nfs/dbraw/zinc/69/48/04/1040694804.db2.gz OTZKYQCEQBMFNK-UHFFFAOYSA-N -1 0 346.452 3.691 20 0 EHADRM CCC[C@H](C)NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000614222223 1040746253 /nfs/dbraw/zinc/74/62/53/1040746253.db2.gz BIMAZLASSAQFAB-JTQLQIEISA-N -1 0 341.333 3.515 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)c1 ZINC000913358253 1040757893 /nfs/dbraw/zinc/75/78/93/1040757893.db2.gz WWDMBEUXKOMIBO-CQSZACIVSA-N -1 0 349.438 3.807 20 0 EHADRM Cc1nc(CC2CC2)sc1C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000909097655 1040800777 /nfs/dbraw/zinc/80/07/77/1040800777.db2.gz VAFQTJHNBHVUGI-RMKNXTFCSA-N -1 0 342.420 3.754 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)c1 ZINC000481408268 1040858434 /nfs/dbraw/zinc/85/84/34/1040858434.db2.gz SBASORHGSRHRSD-UHFFFAOYSA-N -1 0 328.393 3.759 20 0 EHADRM O=C([O-])Cc1ccc(-c2ccc(O[C@@H]3CCOC3)cc2)c(Cl)c1 ZINC000899633831 1040884899 /nfs/dbraw/zinc/88/48/99/1040884899.db2.gz LKZKQCRLOFWBBS-OAHLLOKOSA-N -1 0 332.783 3.802 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CC[C@H]([C@@H]2CCCO2)C1 ZINC000899627891 1040891709 /nfs/dbraw/zinc/89/17/09/1040891709.db2.gz IUMDOORJLRKALC-SJCJKPOMSA-N -1 0 345.826 3.840 20 0 EHADRM CCCCOc1cccc(F)c1Nc1ccc(S(=O)(=O)[O-])cc1 ZINC001211794707 1040910764 /nfs/dbraw/zinc/91/07/64/1040910764.db2.gz DOQBAJGAFNMFQP-UHFFFAOYSA-N -1 0 339.388 3.995 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)nn1C1CCCCC1 ZINC000909296601 1040913789 /nfs/dbraw/zinc/91/37/89/1040913789.db2.gz RGMUUEDPCZNMBV-UHFFFAOYSA-N -1 0 345.374 3.786 20 0 EHADRM CCC(=O)CSc1n[n-]c(=Nc2ccc(C)c(Cl)c2)s1 ZINC000555667953 1040990754 /nfs/dbraw/zinc/99/07/54/1040990754.db2.gz NOYFRMICNILZNW-UHFFFAOYSA-N -1 0 327.862 3.737 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000909829542 1041016253 /nfs/dbraw/zinc/01/62/53/1041016253.db2.gz DTZHLLNNSOTKOK-CYBMUJFWSA-N -1 0 343.427 3.993 20 0 EHADRM CCC[C@@H](CNC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1)C(=O)[O-] ZINC000909811242 1041021540 /nfs/dbraw/zinc/02/15/40/1041021540.db2.gz FLHYHBKLCMVTLQ-MFKMUULPSA-N -1 0 331.334 3.583 20 0 EHADRM CC(C)(C)SCCCC(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1 ZINC000909834515 1041030939 /nfs/dbraw/zinc/03/09/39/1041030939.db2.gz BCJGYXCBBDNDME-HOTGVXAUSA-N -1 0 349.496 3.625 20 0 EHADRM Cc1cc(Nc2cc(Cl)ccc2N2CCOCC2)ccc1C(=O)[O-] ZINC001211657163 1041061067 /nfs/dbraw/zinc/06/10/67/1041061067.db2.gz DIMFJQPVPNMXDQ-UHFFFAOYSA-N -1 0 346.814 3.927 20 0 EHADRM Cc1nc(C#N)c([N-]N=C2c3cc(Cl)cc(Cl)c3NC2=O)o1 ZINC000054891655 1041064085 /nfs/dbraw/zinc/06/40/85/1041064085.db2.gz ZYNMANOEEUCWEK-UHFFFAOYSA-N -1 0 336.138 3.579 20 0 EHADRM Cc1cc(F)ccc1C[C@@H](C)NC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000909946220 1041077174 /nfs/dbraw/zinc/07/71/74/1041077174.db2.gz UTNMFDFAIWRCAK-WPUWVODUSA-N -1 0 347.430 3.607 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000899769325 1041082350 /nfs/dbraw/zinc/08/23/50/1041082350.db2.gz AITHTTXDXZFQBB-CQSZACIVSA-N -1 0 342.395 3.949 20 0 EHADRM Cc1ccc(NC(=O)[C@H](CC(=O)[O-])CC(C)C)c(Br)c1 ZINC000899759511 1041087040 /nfs/dbraw/zinc/08/70/40/1041087040.db2.gz PRHFARPFOYCNOP-NSHDSACASA-N -1 0 342.233 3.833 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])C[C@@H]1C(=O)Nc1cccc(C(F)F)c1Cl ZINC000899779873 1041102867 /nfs/dbraw/zinc/10/28/67/1041102867.db2.gz FRQIYFRDINKEHV-RFAUZJTJSA-N -1 0 331.746 3.963 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000899775384 1041113102 /nfs/dbraw/zinc/11/31/02/1041113102.db2.gz YIDIAWWCDFOBCF-RDJZCZTQSA-N -1 0 346.471 3.601 20 0 EHADRM CC[C@@H](CNC(=O)C[C@H](C(=O)[O-])c1ccc(C)cc1)CC(F)(F)F ZINC000899789838 1041128862 /nfs/dbraw/zinc/12/88/62/1041128862.db2.gz XYBIAUMMXSSEQI-OCCSQVGLSA-N -1 0 345.361 3.648 20 0 EHADRM C[C@H](c1ccc(C(=O)N[C@H]2CCC[C@]2(C)C(=O)[O-])cc1)C(F)(F)F ZINC000909992135 1041130363 /nfs/dbraw/zinc/13/03/63/1041130363.db2.gz AAXUDTXRVZDMFQ-HICWGWBUSA-N -1 0 343.345 3.726 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C)C(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-] ZINC000899798385 1041133403 /nfs/dbraw/zinc/13/34/03/1041133403.db2.gz JFMMQLXBRBUEFC-QLGBWKCPSA-N -1 0 347.842 3.772 20 0 EHADRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000909994563 1041134777 /nfs/dbraw/zinc/13/47/77/1041134777.db2.gz XKDLBPXTVCOIKC-CXAGYDPISA-N -1 0 334.803 3.503 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)N[C@@H]1CCCc2ccc(F)cc21 ZINC000910021498 1041141358 /nfs/dbraw/zinc/14/13/58/1041141358.db2.gz IHDOIWYOQFHWJD-GOSISDBHSA-N -1 0 341.382 3.650 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000899801910 1041142042 /nfs/dbraw/zinc/14/20/42/1041142042.db2.gz VZNBKLHWOFYLIP-DYVFJYSZSA-N -1 0 345.443 3.513 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000899796691 1041149141 /nfs/dbraw/zinc/14/91/41/1041149141.db2.gz OPMZKQHPAYCVMF-FZMZJTMJSA-N -1 0 339.432 3.616 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2=CCCCCC2)c(OC(F)F)c1 ZINC000910042367 1041160742 /nfs/dbraw/zinc/16/07/42/1041160742.db2.gz LGIZDAZLZUFGRP-UHFFFAOYSA-N -1 0 325.311 3.815 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)CC[C@H]1CCc3ccccc31)C2 ZINC000910049495 1041163414 /nfs/dbraw/zinc/16/34/14/1041163414.db2.gz ZYRHDQJQQIXDEB-OAHLLOKOSA-N -1 0 335.403 3.737 20 0 EHADRM Cc1coc(-c2cccc(NC(=O)[C@@H](CC(=O)[O-])CC(C)C)c2)n1 ZINC000899818618 1041176941 /nfs/dbraw/zinc/17/69/41/1041176941.db2.gz QGRSZDBTCUUVPS-CQSZACIVSA-N -1 0 330.384 3.726 20 0 EHADRM CC1(C)CCC[C@H](C(=O)N2CCC[C@H]2c2nc(C(=O)[O-])cs2)C1 ZINC000910106071 1041193009 /nfs/dbraw/zinc/19/30/09/1041193009.db2.gz FZOWESVDTJYEPO-AAEUAGOBSA-N -1 0 336.457 3.721 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@H]1c1nc(C(=O)[O-])cs1)c1ccccc1 ZINC000910111848 1041194745 /nfs/dbraw/zinc/19/47/45/1041194745.db2.gz HEZVYZXTQMXMSH-DOMZBBRYSA-N -1 0 344.436 3.699 20 0 EHADRM O=C([O-])c1csc([C@H]2CCCN2C(=O)CCCC2CCCC2)n1 ZINC000910112644 1041194773 /nfs/dbraw/zinc/19/47/73/1041194773.db2.gz DCQWVRYALNDCET-CQSZACIVSA-N -1 0 336.457 3.865 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])C[C@@H]1C(=O)Nc1ccccc1Oc1ccccn1 ZINC000899841748 1041204415 /nfs/dbraw/zinc/20/44/15/1041204415.db2.gz DSRZNQCMPVBICD-BFUOFWGJSA-N -1 0 340.379 3.559 20 0 EHADRM CC(C)C[C@@](C)(CC(=O)[O-])C(=O)Nc1ccc(-c2ccon2)cc1 ZINC000899847720 1041218328 /nfs/dbraw/zinc/21/83/28/1041218328.db2.gz UQSFFZSVOGKQAO-SFHVURJKSA-N -1 0 330.384 3.807 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)NC1C[C@H]2CC[C@@H](C1)S2)C1CCCCC1 ZINC000899850046 1041222968 /nfs/dbraw/zinc/22/29/68/1041222968.db2.gz CCSMDEBXJKCXMW-KRWWSPQJSA-N -1 0 339.501 3.591 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)N2CC[C@H](C)C[C@H]2C(=O)[O-])c1 ZINC000555851972 1041225793 /nfs/dbraw/zinc/22/57/93/1041225793.db2.gz SBVNIYWXZWYDCX-YOEHRIQHSA-N -1 0 348.443 3.829 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)c1[nH]c2ccc(F)cc2c1Cl)C(=O)[O-] ZINC000652076564 1041229600 /nfs/dbraw/zinc/22/96/00/1041229600.db2.gz KYPNLLWFMYIFIN-NSHDSACASA-N -1 0 340.782 3.580 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)Nc1ccc(OC(F)F)cc1)C(=O)[O-] ZINC000555848150 1041236909 /nfs/dbraw/zinc/23/69/09/1041236909.db2.gz WPFRGFYDADERHG-GFCCVEGCSA-N -1 0 344.358 3.689 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)cnc1Cl ZINC000156516522 1041261340 /nfs/dbraw/zinc/26/13/40/1041261340.db2.gz ATLIHHUCTJDQOB-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM CCCC[C@H](CC)CC(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC000571330652 1041267769 /nfs/dbraw/zinc/26/77/69/1041267769.db2.gz LNISLSDPWFVDHJ-ZDUSSCGKSA-N -1 0 332.444 3.880 20 0 EHADRM CC(C)n1cc(-c2cc(F)ccc2OC[C@H]2CCOC2)cc1C(=O)[O-] ZINC000571417626 1041293091 /nfs/dbraw/zinc/29/30/91/1041293091.db2.gz DCMCNAJDXXZNLO-ZDUSSCGKSA-N -1 0 347.386 3.989 20 0 EHADRM COc1ccccc1N=c1[n-]nc(SCc2cnccc2C)s1 ZINC000433375882 1041361127 /nfs/dbraw/zinc/36/11/27/1041361127.db2.gz MOYSSFFZTHZHFI-UHFFFAOYSA-N -1 0 344.465 3.708 20 0 EHADRM Cc1cc(Nc2cc(Br)c(F)cc2N)ccc1C(=O)[O-] ZINC001211658113 1041415261 /nfs/dbraw/zinc/41/52/61/1041415261.db2.gz AUZHNEWWWWYJLW-UHFFFAOYSA-N -1 0 339.164 3.921 20 0 EHADRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000511701358 1041479087 /nfs/dbraw/zinc/47/90/87/1041479087.db2.gz PBBNMVIQELSEAD-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000432121384 1041616316 /nfs/dbraw/zinc/61/63/16/1041616316.db2.gz VXBZZWWTARUFEL-DDUZABMNSA-N -1 0 335.469 3.565 20 0 EHADRM C[C@@]1(NC(=O)CCc2cc3ccccc3o2)CCCC[C@H]1C(=O)[O-] ZINC000432133482 1041632520 /nfs/dbraw/zinc/63/25/20/1041632520.db2.gz MRRQNVOBNBXVGN-HNAYVOBHSA-N -1 0 329.396 3.515 20 0 EHADRM Cc1cc(C)cc([C@@H]2CCN(C(=O)Cc3ccccc3C(=O)[O-])C2)c1 ZINC000432135745 1041633560 /nfs/dbraw/zinc/63/35/60/1041633560.db2.gz LMCNQIZNBRRBIN-QGZVFWFLSA-N -1 0 337.419 3.560 20 0 EHADRM C[C@]12CC3CC(C(=O)N4C[C@@H](C(=O)[O-])[C@H](C5CC5)C4)(C1)C[C@@](C)(C3)C2 ZINC000652125707 1041673890 /nfs/dbraw/zinc/67/38/90/1041673890.db2.gz CFRRXOXCASOMPG-RHCXQROMSA-N -1 0 345.483 3.552 20 0 EHADRM CO[C@H](CC(=O)Nc1cc(Cl)c([O-])c(Cl)c1)C(F)(F)F ZINC000651620739 1041800027 /nfs/dbraw/zinc/80/00/27/1041800027.db2.gz QKFMODJJLMUHAV-MRVPVSSYSA-N -1 0 332.105 3.605 20 0 EHADRM CC(C)(C)[C@H]1CCC[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)CC1 ZINC000613775316 1042007935 /nfs/dbraw/zinc/00/79/35/1042007935.db2.gz WVHDFPNJAAUWST-NWDGAFQWSA-N -1 0 331.416 3.653 20 0 EHADRM C[S@](=O)c1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000613807825 1042195702 /nfs/dbraw/zinc/19/57/02/1042195702.db2.gz HGTANURMSXAENS-NRFANRHFSA-N -1 0 344.219 3.689 20 0 EHADRM CCC(CC)(C(=O)N[C@@H](C)CCC(=O)[O-])c1ccc(Cl)cc1 ZINC000236872909 1042273407 /nfs/dbraw/zinc/27/34/07/1042273407.db2.gz CPQISSPRQSBEBS-LBPRGKRZSA-N -1 0 325.836 3.767 20 0 EHADRM CCCCCSc1nc(-c2ccc(OC)cc2)c(C#N)c(=O)[n-]1 ZINC000125539516 1042290285 /nfs/dbraw/zinc/29/02/85/1042290285.db2.gz JHVUTQNJAGVDMR-UHFFFAOYSA-N -1 0 329.425 3.599 20 0 EHADRM CSc1nc(C(=O)Nc2cccc(Cl)c2[O-])c2ccccn12 ZINC000605876546 1042340518 /nfs/dbraw/zinc/34/05/18/1042340518.db2.gz FNYAGGLTKGLIJQ-UHFFFAOYSA-N -1 0 333.800 3.668 20 0 EHADRM CC(C)(CC(F)(F)F)C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000663024501 1042357600 /nfs/dbraw/zinc/35/76/00/1042357600.db2.gz ALKKVWBKQAZARR-ZDUSSCGKSA-N -1 0 345.361 3.557 20 0 EHADRM CCCC[C@H](NC(=O)c1sc(-c2cccs2)nc1C)C(=O)[O-] ZINC000236877829 1042382007 /nfs/dbraw/zinc/38/20/07/1042382007.db2.gz AXBZDUUVEOBDBV-JTQLQIEISA-N -1 0 338.454 3.553 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)s1 ZINC000048652584 1042399444 /nfs/dbraw/zinc/39/94/44/1042399444.db2.gz MGZSSLRPJMDJSD-UHFFFAOYSA-N -1 0 331.846 3.773 20 0 EHADRM CCC[C@@H]1CCC[C@@H]1C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000663058183 1042407178 /nfs/dbraw/zinc/40/71/78/1042407178.db2.gz SELXYOFCZUYOLK-SPUZQDLCSA-N -1 0 329.440 3.530 20 0 EHADRM CCCCCCNC(=O)C(C#N)=C([O-])c1csc2c1CCCC2 ZINC000125600353 1042414111 /nfs/dbraw/zinc/41/41/11/1042414111.db2.gz UDYUDORRGOMJHG-AWEZNQCLSA-N -1 0 332.469 3.646 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)c1cc(F)c(Cl)cc1Cl ZINC000136697912 1042452487 /nfs/dbraw/zinc/45/24/87/1042452487.db2.gz AHXQQCCPJFULEP-NSHDSACASA-N -1 0 336.190 3.752 20 0 EHADRM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)C1(C(=O)[O-])CC=CC1 ZINC000663106863 1042457941 /nfs/dbraw/zinc/45/79/41/1042457941.db2.gz BNUNMAIPBBRZJG-OAHLLOKOSA-N -1 0 342.439 3.733 20 0 EHADRM Cc1c2ccccc2nc(C[N@H+]2CCS[C@H](C)[C@H]2C)c1C(=O)[O-] ZINC000652418711 1042467204 /nfs/dbraw/zinc/46/72/04/1042467204.db2.gz IKSINJLAJFLGSP-CHWSQXEVSA-N -1 0 330.453 3.567 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663146166 1042490992 /nfs/dbraw/zinc/49/09/92/1042490992.db2.gz DEZTWIXSAFXIMG-CYBMUJFWSA-N -1 0 341.860 3.683 20 0 EHADRM O=C([O-])[C@H](CNC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21)C1CCC1 ZINC000663150525 1042493961 /nfs/dbraw/zinc/49/39/61/1042493961.db2.gz KDNLNCCECKCLLL-CEXWTWQISA-N -1 0 337.419 3.560 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(F)c([O-])c(Cl)c2)[C@@H](c2ccccc2)CO1 ZINC000184464553 1042552117 /nfs/dbraw/zinc/55/21/17/1042552117.db2.gz HGYMBCJLZXOWSR-MEDUHNTESA-N -1 0 349.789 3.787 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCN(C2CC2)c2ccc(F)cc21 ZINC000185253447 1042631336 /nfs/dbraw/zinc/63/13/36/1042631336.db2.gz SARDAFZZNANSPV-UHFFFAOYSA-N -1 0 346.789 3.814 20 0 EHADRM COc1ccccc1-c1csc(NC(=O)c2c([O-])cccc2F)n1 ZINC000185709454 1042638421 /nfs/dbraw/zinc/63/84/21/1042638421.db2.gz IAPPRFQJOMZWDV-UHFFFAOYSA-N -1 0 344.367 3.916 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-] ZINC000601987097 1042654074 /nfs/dbraw/zinc/65/40/74/1042654074.db2.gz QSHJOQBUWISAAQ-QJPTWQEYSA-N -1 0 335.425 3.513 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)C2CCC(C3CC3)CC2)[C@@H]2CCCC[C@@H]12 ZINC000659193653 1042685535 /nfs/dbraw/zinc/68/55/35/1042685535.db2.gz QDRAMZRMRIMVEG-YXYCDRMUSA-N -1 0 333.472 3.695 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663342825 1042729300 /nfs/dbraw/zinc/72/93/00/1042729300.db2.gz PMZSVEMBYOJEGM-NSHDSACASA-N -1 0 342.848 3.684 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)NC[C@@H](C(=O)[O-])C2CCC2)cc1 ZINC000663348423 1042739940 /nfs/dbraw/zinc/73/99/40/1042739940.db2.gz VBQFYXRNWRSGAO-OAHLLOKOSA-N -1 0 346.427 3.538 20 0 EHADRM CSC[C@H](C)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000067001204 1042774982 /nfs/dbraw/zinc/77/49/82/1042774982.db2.gz HROKQUFLRJKNRJ-ZETCQYMHSA-N -1 0 342.269 3.638 20 0 EHADRM Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c2ccc(F)cc2n1 ZINC000092547229 1042883699 /nfs/dbraw/zinc/88/36/99/1042883699.db2.gz POTIWEXMNUYDRX-UHFFFAOYSA-N -1 0 341.298 3.548 20 0 EHADRM Cc1ccc(-c2nc(C(=O)N=c3cc(C)c(C)n[n-]3)cs2)c(C)c1 ZINC000604233768 1042890480 /nfs/dbraw/zinc/89/04/80/1042890480.db2.gz QUTVDTXBWRSPSW-UHFFFAOYSA-N -1 0 338.436 3.508 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)s1 ZINC000055584613 1042935229 /nfs/dbraw/zinc/93/52/29/1042935229.db2.gz GQWNXAYWWFWVQL-UHFFFAOYSA-N -1 0 333.438 3.501 20 0 EHADRM CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000653333123 1042981212 /nfs/dbraw/zinc/98/12/12/1042981212.db2.gz LKLFMWKZUBNLEW-QZTJIDSGSA-N -1 0 339.391 3.517 20 0 EHADRM CC(C)(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1)C(=O)[O-] ZINC000316559867 1043024378 /nfs/dbraw/zinc/02/43/78/1043024378.db2.gz PXDYMQRYEIODGV-UHFFFAOYSA-N -1 0 344.238 3.985 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000324642087 1043325089 /nfs/dbraw/zinc/32/50/89/1043325089.db2.gz XNYWITLGMJQGTR-UHFFFAOYSA-N -1 0 328.368 3.807 20 0 EHADRM CC[C@@H](N=c1nc([C@H](C)OC)[n-]s1)c1ccccc1OC(F)F ZINC000509734620 1043729564 /nfs/dbraw/zinc/72/95/64/1043729564.db2.gz YFZRQGQOPYJJIQ-GXSJLCMTSA-N -1 0 343.399 3.832 20 0 EHADRM CC(=O)Nc1cccc(NC(=O)c2cc(F)c([O-])c(Cl)c2)c1C ZINC000187159396 1043875730 /nfs/dbraw/zinc/87/57/30/1043875730.db2.gz URZBECBKOWDZSB-UHFFFAOYSA-N -1 0 336.750 3.704 20 0 EHADRM O=S(=O)([N-]c1ccc2ccccc2n1)c1cnc2ccccc2c1 ZINC000337786571 1044453010 /nfs/dbraw/zinc/45/30/10/1044453010.db2.gz XLJNERRWEQLUBX-UHFFFAOYSA-N -1 0 335.388 3.584 20 0 EHADRM O=S(=O)([N-]c1cccc(Oc2ccncc2)c1)c1cccs1 ZINC000112193248 1044586881 /nfs/dbraw/zinc/58/68/81/1044586881.db2.gz XZZQBSCAOZDDGU-UHFFFAOYSA-N -1 0 332.406 3.736 20 0 EHADRM Cc1cc2occ(CC(=O)N(CCC(=O)[O-])C3CC3)c2cc1C(C)C ZINC000236698715 1044633912 /nfs/dbraw/zinc/63/39/12/1044633912.db2.gz AKJKQNZZUBJUNJ-UHFFFAOYSA-N -1 0 343.423 3.873 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2nnc(-c3ccccc3)o2)c1 ZINC000163210800 1125619820 /nfs/dbraw/zinc/61/98/20/1125619820.db2.gz XHWDPOGYBWLGFG-UHFFFAOYSA-N -1 0 343.408 3.661 20 0 EHADRM CC(C)Cn1ncc(NC(=O)c2s[n-]c(=O)c2Cl)c1C(C)C ZINC000622475194 1126704847 /nfs/dbraw/zinc/70/48/47/1126704847.db2.gz SDEVHIWATSIQSF-UHFFFAOYSA-N -1 0 342.852 3.730 20 0 EHADRM CC(C)C[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000184907211 1126707691 /nfs/dbraw/zinc/70/76/91/1126707691.db2.gz AHZGILKZOYETAO-NSHDSACASA-N -1 0 331.503 3.533 20 0 EHADRM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1cnn2c1CCC2 ZINC000622481586 1126708893 /nfs/dbraw/zinc/70/88/93/1126708893.db2.gz ZKPHBJAYJHBWIA-UHFFFAOYSA-N -1 0 346.601 3.747 20 0 EHADRM Cc1c(C(F)(F)F)[n-][nH]c1=NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000622565182 1126719241 /nfs/dbraw/zinc/71/92/41/1126719241.db2.gz PIZWLABBYRUVDY-GHMZBOCLSA-N -1 0 343.736 3.554 20 0 EHADRM CC(C)(CNC(=O)c1cccc(C(F)(F)F)c1[O-])c1ccccn1 ZINC000622632504 1126733803 /nfs/dbraw/zinc/73/38/03/1126733803.db2.gz YZFBATUENJCRRL-UHFFFAOYSA-N -1 0 338.329 3.514 20 0 EHADRM COc1cc(C(=O)Nc2cccc(Cl)c2[O-])ccc1OC(F)F ZINC000172109334 1126780690 /nfs/dbraw/zinc/78/06/90/1126780690.db2.gz WVWOZNKYLGAUNB-UHFFFAOYSA-N -1 0 343.713 3.908 20 0 EHADRM Cc1c(NCc2cc(Cl)c3c(c2)OCCO3)cccc1C(=O)[O-] ZINC000336863734 1126812408 /nfs/dbraw/zinc/81/24/08/1126812408.db2.gz CKXMXHLEKVUSQO-UHFFFAOYSA-N -1 0 333.771 3.730 20 0 EHADRM Cc1nc(C)c(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)s1 ZINC000178916647 1127037453 /nfs/dbraw/zinc/03/74/53/1127037453.db2.gz COQHPYREPLZHDQ-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM CC(C)(C)c1cnc(CNc2ccc(-n3ccc(=O)[n-]3)cc2)s1 ZINC000623776970 1127161066 /nfs/dbraw/zinc/16/10/66/1127161066.db2.gz JPGFPOHIJKEIBO-UHFFFAOYSA-N -1 0 328.441 3.944 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2F)cc1Cl ZINC000181200469 1127269928 /nfs/dbraw/zinc/26/99/28/1127269928.db2.gz VUHZMRGLUGCUGE-UHFFFAOYSA-N -1 0 341.791 3.791 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)c(C)o1 ZINC000182825248 1127349595 /nfs/dbraw/zinc/34/95/95/1127349595.db2.gz ANSWDGOVAYGOIF-UHFFFAOYSA-N -1 0 328.393 3.759 20 0 EHADRM CCOc1ccc(NC(=O)c2cc(F)c(F)c([O-])c2F)cc1F ZINC000185408077 1127426257 /nfs/dbraw/zinc/42/62/57/1127426257.db2.gz QAOYLBRXSLWMSX-UHFFFAOYSA-N -1 0 329.249 3.600 20 0 EHADRM C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)[C@@H]3CC[C@H]3C(=O)[O-])c2)C1 ZINC000901790531 1127496390 /nfs/dbraw/zinc/49/63/90/1127496390.db2.gz RAHRRZZMHBFLIS-BNEJOLLZSA-N -1 0 345.439 3.831 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)Nc1cccc(Oc2ccccc2)c1)C1CC1 ZINC000383165883 1127531132 /nfs/dbraw/zinc/53/11/32/1127531132.db2.gz OSJKAYLCJIVPQX-ZDUSSCGKSA-N -1 0 340.379 3.948 20 0 EHADRM Cc1c(CNc2cccc(S(=O)(=O)[O-])c2)cccc1C(F)(F)F ZINC001168538857 1127592669 /nfs/dbraw/zinc/59/26/69/1127592669.db2.gz LZWWKAALQBOTKS-UHFFFAOYSA-N -1 0 345.342 3.873 20 0 EHADRM Cc1c(C(=O)NC[C@@H](CC2CC2)C(=O)[O-])sc2cccc(F)c12 ZINC000405228856 1127617939 /nfs/dbraw/zinc/61/79/39/1127617939.db2.gz FKHVETRMPPTJLS-LLVKDONJSA-N -1 0 335.400 3.580 20 0 EHADRM COc1ccccc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000020626893 1127679205 /nfs/dbraw/zinc/67/92/05/1127679205.db2.gz FZHBOCCBDREPMB-UHFFFAOYSA-N -1 0 338.237 3.864 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Nc2cccc(Br)c2)cc1 ZINC000040550626 1127687694 /nfs/dbraw/zinc/68/76/94/1127687694.db2.gz QGPBYCBQGQKMKE-UHFFFAOYSA-N -1 0 335.157 3.791 20 0 EHADRM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000386864826 1127719507 /nfs/dbraw/zinc/71/95/07/1127719507.db2.gz CDJOOAANUHLVHI-KBPBESRZSA-N -1 0 342.222 3.619 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2ccc(Cl)cc2F)CCCCC1 ZINC000387065459 1127724950 /nfs/dbraw/zinc/72/49/50/1127724950.db2.gz SQVJNCITNNTIKM-UHFFFAOYSA-N -1 0 327.783 3.634 20 0 EHADRM CCCOc1cccc([N-]S(=O)(=O)c2cc(C)sc2C)c1 ZINC000032599868 1127853416 /nfs/dbraw/zinc/85/34/16/1127853416.db2.gz YTRVYPVTLQVNCB-UHFFFAOYSA-N -1 0 325.455 3.955 20 0 EHADRM CC(C)c1noc(-c2ccc([N-]S(=O)(=O)c3cccs3)cc2)n1 ZINC000338599712 1127881064 /nfs/dbraw/zinc/88/10/64/1127881064.db2.gz QMYMTTIMAYLHDU-UHFFFAOYSA-N -1 0 349.437 3.722 20 0 EHADRM CC(C)c1nnc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)s1 ZINC000083956219 1127901623 /nfs/dbraw/zinc/90/16/23/1127901623.db2.gz ZSMKFTTWTMVTQM-BQYQJAHWSA-N -1 0 343.861 3.728 20 0 EHADRM Cc1cc(C([O-])=CS(=O)(=O)c2cc(F)c(C)cc2F)c(C)s1 ZINC000338612474 1127905026 /nfs/dbraw/zinc/90/50/26/1127905026.db2.gz TUEOULKLEDVQSZ-UHFFFAOYSA-N -1 0 344.404 3.608 20 0 EHADRM CCN(CCNC(=O)c1ccc([O-])c(Cl)c1)c1ccccc1C ZINC000060693105 1128112130 /nfs/dbraw/zinc/11/21/30/1128112130.db2.gz BDBWWNZLGSEHEL-UHFFFAOYSA-N -1 0 332.831 3.610 20 0 EHADRM CCCC[C@H](NC(=O)Nc1ccc(C)c(Br)c1)C(=O)[O-] ZINC000109437646 1128202158 /nfs/dbraw/zinc/20/21/58/1128202158.db2.gz UZSLPXKFGFHJSL-LBPRGKRZSA-N -1 0 343.221 3.522 20 0 EHADRM CC(C)n1nccc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000066248426 1128212437 /nfs/dbraw/zinc/21/24/37/1128212437.db2.gz SQNSVNISHPADRN-UHFFFAOYSA-N -1 0 340.257 3.633 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)[N-]S(=O)(=O)CC1CC1 ZINC000073539151 1128395490 /nfs/dbraw/zinc/39/54/90/1128395490.db2.gz XCLWCSYEIGLHCR-ZDUSSCGKSA-N -1 0 339.457 3.582 20 0 EHADRM CC(C)Cc1nc(=NC(=O)c2c(Cl)c3ccccc3n2C)s[n-]1 ZINC000618346707 1128502907 /nfs/dbraw/zinc/50/29/07/1128502907.db2.gz FGUMQUNNEWSVCE-UHFFFAOYSA-N -1 0 348.859 3.556 20 0 EHADRM CC(C)CC[C@@H]1CCCN1C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655903159 1128528651 /nfs/dbraw/zinc/52/86/51/1128528651.db2.gz YXPJFCVUVYDQJA-YHUYYLMFSA-N -1 0 338.492 3.732 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000268480558 1128540536 /nfs/dbraw/zinc/54/05/36/1128540536.db2.gz YQLAGHLZFRSBHH-UMVBOHGHSA-N -1 0 343.402 3.510 20 0 EHADRM CCN(CC(C)C)C(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000542730863 1128565791 /nfs/dbraw/zinc/56/57/91/1128565791.db2.gz XBXOXOUDPWJNHC-UHFFFAOYSA-N -1 0 338.864 3.790 20 0 EHADRM Fc1ccc(-c2ccc(C[NH2+]C3(c4nnn[n-]4)CCCC3)s2)cc1 ZINC000542782529 1128610495 /nfs/dbraw/zinc/61/04/95/1128610495.db2.gz LENUBPDGJAILIT-UHFFFAOYSA-N -1 0 343.431 3.626 20 0 EHADRM Fc1cc(-c2nc(-c3ccc4[n-]c(=S)sc4c3)no2)c(F)cn1 ZINC001212431061 1128611612 /nfs/dbraw/zinc/61/16/12/1128611612.db2.gz FEZRLEGDOAWXPU-UHFFFAOYSA-N -1 0 348.359 3.975 20 0 EHADRM COc1cc(C)cc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1O ZINC000765863401 1128623124 /nfs/dbraw/zinc/62/31/24/1128623124.db2.gz PGKZODZLECIOOP-UHFFFAOYSA-N -1 0 342.178 3.974 20 0 EHADRM O=S(=O)([N-]c1nc2ccccc2s1)c1ccc(Cl)cc1F ZINC000057724380 1128662340 /nfs/dbraw/zinc/66/23/40/1128662340.db2.gz FPODINJVLVMBKR-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM Fc1ccc([C@H]2CC[C@@H](N=c3[n-]nc(C4CCOCC4)s3)C2)cc1 ZINC000338710438 1128733799 /nfs/dbraw/zinc/73/37/99/1128733799.db2.gz HRSSGVCWHWASQM-GOEBONIOSA-N -1 0 347.459 3.741 20 0 EHADRM CC(C)[C@@H](CNc1ccc(-c2ccc(Cl)s2)nn1)C(=O)[O-] ZINC000656093802 1128735299 /nfs/dbraw/zinc/73/52/99/1128735299.db2.gz XIBGCKIUJBKQDT-SECBINFHSA-N -1 0 325.821 3.627 20 0 EHADRM CCOc1ccc2c(c1)CN(C(=O)c1ccc([O-])c(Cl)c1)CC2 ZINC000064083025 1120013953 /nfs/dbraw/zinc/01/39/53/1120013953.db2.gz ZSSKNBVVKBQDNX-UHFFFAOYSA-N -1 0 331.799 3.643 20 0 EHADRM O=S(=O)([N-]C1CCC(C2CCC2)CC1)c1c(F)cc(F)cc1F ZINC001670492283 1120079002 /nfs/dbraw/zinc/07/90/02/1120079002.db2.gz MYDMYMPTAYDZPR-UHFFFAOYSA-N -1 0 347.402 3.741 20 0 EHADRM Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(F)cc(Cl)c3[O-])cc12 ZINC001648926644 1120220006 /nfs/dbraw/zinc/22/00/06/1120220006.db2.gz PHHFQCCNBHUIBT-UHFFFAOYSA-N -1 0 346.745 3.999 20 0 EHADRM CC(C)(C)c1ncc([N-]S(=O)(=O)c2ccc3ccccc3c2)cn1 ZINC000063850259 1128902295 /nfs/dbraw/zinc/90/22/95/1128902295.db2.gz ZPPMUOAPDWSKQA-UHFFFAOYSA-N -1 0 341.436 3.728 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)Cc1ccc(Cl)s1)c1ccccc1 ZINC000263182443 1120253544 /nfs/dbraw/zinc/25/35/44/1120253544.db2.gz RNPLGSADZCKGHP-ZDUSSCGKSA-N -1 0 337.828 3.666 20 0 EHADRM COc1cc(C)c([N-]S(=O)(=O)c2cc(C)c(F)cc2F)cc1F ZINC000187068828 1120485879 /nfs/dbraw/zinc/48/58/79/1120485879.db2.gz BRGJRYVBQXDBPA-UHFFFAOYSA-N -1 0 345.342 3.530 20 0 EHADRM CC[C@@H](C)[C@@H](C)N(C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)C1CC1 ZINC000172780843 1128930282 /nfs/dbraw/zinc/93/02/82/1128930282.db2.gz CDMYHZWEPFHPEF-HUUCEWRRSA-N -1 0 341.455 3.513 20 0 EHADRM Cc1ccc(CCC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)c(C)c1 ZINC000262302447 1120847494 /nfs/dbraw/zinc/84/74/94/1120847494.db2.gz KYQHVOFISMFYTG-SFHVURJKSA-N -1 0 343.398 3.707 20 0 EHADRM Cc1cc(=NC(=O)N[C@@H](c2cccc(F)c2)C(C)(C)C)[n-]nc1C ZINC000467470137 1120873394 /nfs/dbraw/zinc/87/33/94/1120873394.db2.gz ROQPAEPPCJCZQT-INIZCTEOSA-N -1 0 330.407 3.563 20 0 EHADRM Cc1cnc(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)c([O-])c1 ZINC000494841662 1120882305 /nfs/dbraw/zinc/88/23/05/1120882305.db2.gz FRTYZDCGCICQEI-UHFFFAOYSA-N -1 0 347.374 3.600 20 0 EHADRM C[C@H]1CCc2c(sc3[nH]c(-c4ccc(C(=O)[O-])s4)nc(=O)c23)C1 ZINC000494887123 1120894795 /nfs/dbraw/zinc/89/47/95/1120894795.db2.gz SAGXRCQIJXJJFH-ZETCQYMHSA-N -1 0 346.433 3.948 20 0 EHADRM COc1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1OC1CCCC1 ZINC000914581268 1120911523 /nfs/dbraw/zinc/91/15/23/1120911523.db2.gz FUACNSSYJZJOSM-UHFFFAOYSA-N -1 0 349.427 3.846 20 0 EHADRM CCSCc1ccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1 ZINC000262332375 1120914872 /nfs/dbraw/zinc/91/48/72/1120914872.db2.gz FDMJHTAMHCSEDV-BBWFWOEESA-N -1 0 347.480 3.798 20 0 EHADRM Cc1cnc(C(=O)Nc2ccccc2NC(=O)c2ccccc2)c([O-])c1 ZINC000495040153 1120936482 /nfs/dbraw/zinc/93/64/82/1120936482.db2.gz RRZXPCBMMVCZRY-UHFFFAOYSA-N -1 0 347.374 3.600 20 0 EHADRM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cc(Cl)ccc1O ZINC000229367887 1120960696 /nfs/dbraw/zinc/96/06/96/1120960696.db2.gz QHJVCSACIMVHDZ-UHFFFAOYSA-N -1 0 329.780 3.602 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N[C@H]2CCCC(F)(F)C2)s1 ZINC000495128965 1120963807 /nfs/dbraw/zinc/96/38/07/1120963807.db2.gz OQWRGPLQKZDAQG-JTQLQIEISA-N -1 0 332.420 3.563 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1 ZINC000914729922 1120966326 /nfs/dbraw/zinc/96/63/26/1120966326.db2.gz CJILVQVTLQIOMX-RQPZQGTISA-N -1 0 325.339 3.666 20 0 EHADRM CCCCC[C@H](NC(=O)Cc1cccc2ccc(OC)cc21)C(=O)[O-] ZINC000761833623 1120975568 /nfs/dbraw/zinc/97/55/68/1120975568.db2.gz BFQOZHSEPCZCBB-SFHVURJKSA-N -1 0 343.423 3.541 20 0 EHADRM CC(C)[C@H](CC1CCCC1)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000495204148 1120989110 /nfs/dbraw/zinc/98/91/10/1120989110.db2.gz ADFCEYCFEWBKFB-BFHYXJOUSA-N -1 0 349.393 3.560 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cccc([C@H]2CCOC2)c1 ZINC000761889353 1121005483 /nfs/dbraw/zinc/00/54/83/1121005483.db2.gz IAJSPPVTFYTTLK-ZDUSSCGKSA-N -1 0 340.404 3.873 20 0 EHADRM CCC(CC)(CC)C(=O)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000762168187 1121141415 /nfs/dbraw/zinc/14/14/15/1121141415.db2.gz UYKIFUAKPPNZNJ-UHFFFAOYSA-N -1 0 349.855 3.809 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCc2ccc(Cl)cc2C1 ZINC000762377799 1121275185 /nfs/dbraw/zinc/27/51/85/1121275185.db2.gz OSFZCYCYVOOEKP-UHFFFAOYSA-N -1 0 344.823 3.968 20 0 EHADRM O=C(CSCC(=O)c1ccccc1)Nc1cccc(Cl)c1[O-] ZINC000077011556 1128974675 /nfs/dbraw/zinc/97/46/75/1128974675.db2.gz USEFDUDXPMYOEQ-UHFFFAOYSA-N -1 0 335.812 3.600 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC23CCC3)c(O)c1 ZINC000495692804 1121363647 /nfs/dbraw/zinc/36/36/47/1121363647.db2.gz XSGOAQXXEYDSCL-UHFFFAOYSA-N -1 0 332.400 3.508 20 0 EHADRM CC(C)C[C@@H](NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000236578094 1121457608 /nfs/dbraw/zinc/45/76/08/1121457608.db2.gz QXYZDXUDDYBFGE-SGMGOOAPSA-N -1 0 344.238 3.712 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1cccc(OC2CCCCC2)c1 ZINC000236581329 1121457894 /nfs/dbraw/zinc/45/78/94/1121457894.db2.gz LBDLWKUZHDHOAV-UHFFFAOYSA-N -1 0 333.428 3.771 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)/C=C/c2ccc(C)o2)cc1 ZINC000237350251 1121480511 /nfs/dbraw/zinc/48/05/11/1121480511.db2.gz OIBBYUZEZIWJSZ-OJXHRBAXSA-N -1 0 345.420 3.655 20 0 EHADRM CC[C@H]([N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1)C(F)(F)F ZINC001128242156 1128987296 /nfs/dbraw/zinc/98/72/96/1128987296.db2.gz SGTJDHKDIYWYSM-QMMMGPOBSA-N -1 0 330.684 3.592 20 0 EHADRM C[C@H](CC(=O)Nc1ccccc1-n1ccc(C(=O)[O-])n1)c1ccccc1 ZINC000237540175 1121487362 /nfs/dbraw/zinc/48/73/62/1121487362.db2.gz KYWCCGWRWQTALN-CQSZACIVSA-N -1 0 349.390 3.703 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2ccc(Cl)c3cccnc23)c1 ZINC000238225949 1121506400 /nfs/dbraw/zinc/50/64/00/1121506400.db2.gz FDAYADWXTCCHTE-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM CCc1ccc(OCC(=O)Nc2ccc3[n-]c(=S)oc3c2)cc1 ZINC000762967836 1121618607 /nfs/dbraw/zinc/61/86/07/1121618607.db2.gz QBFJYEIJHLKTIH-UHFFFAOYSA-N -1 0 328.393 3.696 20 0 EHADRM COc1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000026546525 1121664104 /nfs/dbraw/zinc/66/41/04/1121664104.db2.gz XRHGJXYMIKHQNI-UHFFFAOYSA-N -1 0 349.305 3.654 20 0 EHADRM CC(C)COc1ccccc1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000056098937 1121913090 /nfs/dbraw/zinc/91/30/90/1121913090.db2.gz GRRHIHSDOFQTDR-UHFFFAOYSA-N -1 0 336.391 3.815 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Br)cc2)s1 ZINC000311221380 1129031323 /nfs/dbraw/zinc/03/13/23/1129031323.db2.gz PHPFPBJWUMEYSM-UHFFFAOYSA-N -1 0 346.271 3.928 20 0 EHADRM O=S(=O)([N-]c1ccccc1-n1cccn1)c1cccc2ccccc21 ZINC000328252287 1122130447 /nfs/dbraw/zinc/13/04/47/1122130447.db2.gz BXEOCMWZLPOVHL-UHFFFAOYSA-N -1 0 349.415 3.826 20 0 EHADRM COc1ccccc1CC1CCN(C(=O)c2ccc(F)cc2[O-])CC1 ZINC000123636936 1122260044 /nfs/dbraw/zinc/26/00/44/1122260044.db2.gz HIVXBURPKJOOKK-UHFFFAOYSA-N -1 0 343.398 3.635 20 0 EHADRM CC(=O)Nc1cc(NC(=O)c2ccc([O-])c(Cl)c2)ccc1Cl ZINC000063333673 1122280634 /nfs/dbraw/zinc/28/06/34/1122280634.db2.gz PIOILMUPRBWSGA-UHFFFAOYSA-N -1 0 339.178 3.910 20 0 EHADRM Cc1c(NC(=O)c2ncccc2[O-])cccc1C(=O)Nc1ccccc1 ZINC000124557261 1122288021 /nfs/dbraw/zinc/28/80/21/1122288021.db2.gz PGXCOSFVFRDCKQ-UHFFFAOYSA-N -1 0 347.374 3.600 20 0 EHADRM O=C(C[C@H]1C=CCC1)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000916813909 1122355477 /nfs/dbraw/zinc/35/54/77/1122355477.db2.gz SZWALTCBNIOGLK-HNNXBMFYSA-N -1 0 347.480 3.896 20 0 EHADRM Cc1cccc(S(=O)(=O)Nc2ccccc2NCC(F)(F)F)c1 ZINC000067659732 1122527141 /nfs/dbraw/zinc/52/71/41/1122527141.db2.gz SFQDOCABZKZWSP-UHFFFAOYSA-N -1 0 344.358 3.770 20 0 EHADRM CC(C)(CNC(=O)N=c1[n-]nc(C(F)F)s1)C1CCCCC1 ZINC000499596268 1129061588 /nfs/dbraw/zinc/06/15/88/1129061588.db2.gz PBMRNKXIRXIITI-UHFFFAOYSA-N -1 0 332.420 3.626 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000262641286 1122587338 /nfs/dbraw/zinc/58/73/38/1122587338.db2.gz QAQLVTDDZVGPAA-RCCFBDPRSA-N -1 0 341.382 3.570 20 0 EHADRM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(CSc2ccccc2)cc1 ZINC000262663403 1122669362 /nfs/dbraw/zinc/66/93/62/1122669362.db2.gz NRQADBLETVUVNT-KRWDZBQOSA-N -1 0 341.432 3.668 20 0 EHADRM CN(CCc1cccc2ccccc21)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262752013 1122822338 /nfs/dbraw/zinc/82/23/38/1122822338.db2.gz YFSBDMBAINAGCZ-IYARVYRRSA-N -1 0 339.435 3.732 20 0 EHADRM COc1ccccc1CC(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000130158413 1122899903 /nfs/dbraw/zinc/89/99/03/1122899903.db2.gz VFWMZXYPRDNWPS-UHFFFAOYSA-N -1 0 326.179 3.889 20 0 EHADRM Cc1ccccc1[C@@H](CC(C)C)N=c1[n-]c(C2CCOCC2)no1 ZINC000556839997 1123145571 /nfs/dbraw/zinc/14/55/71/1123145571.db2.gz JCCKCQGCCLEITP-QGZVFWFLSA-N -1 0 329.444 3.893 20 0 EHADRM CCn1ncc2ccc([N-]S(=O)(=O)c3cc4ccccc4o3)cc21 ZINC000131761111 1123179056 /nfs/dbraw/zinc/17/90/56/1123179056.db2.gz UXRFJICYNLGHTQ-UHFFFAOYSA-N -1 0 341.392 3.603 20 0 EHADRM CCOCc1ccc([N-]S(=O)(=O)c2cc3ccccc3o2)cc1 ZINC000131865899 1123186375 /nfs/dbraw/zinc/18/63/75/1123186375.db2.gz HLZCBMRSGXASOQ-UHFFFAOYSA-N -1 0 331.393 3.770 20 0 EHADRM CN(C(=O)c1nn(-c2ccccc2)cc1[O-])[C@H]1CCCc2ccccc21 ZINC000556933559 1123221061 /nfs/dbraw/zinc/22/10/61/1123221061.db2.gz HGBUYVSEHQXZTA-SFHVURJKSA-N -1 0 347.418 3.728 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000263008967 1123313947 /nfs/dbraw/zinc/31/39/47/1123313947.db2.gz YKAZYFDHQQUMEJ-DZKIICNBSA-N -1 0 335.419 3.920 20 0 EHADRM CC1(C)CCCC[C@H]1CC(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000557083340 1123314962 /nfs/dbraw/zinc/31/49/62/1123314962.db2.gz DWFXIBSIACAWIN-ZDUSSCGKSA-N -1 0 328.416 3.722 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N2CCCc3ccccc3C2)s1 ZINC000499257788 1123316271 /nfs/dbraw/zinc/31/62/71/1123316271.db2.gz WEYCYBHFBIREPU-UHFFFAOYSA-N -1 0 344.484 3.673 20 0 EHADRM CC(C)(C)[C@@H]1CCc2sc(C(=O)N3CC[C@@](C)(C(=O)[O-])C3)cc2C1 ZINC000236672536 1123448496 /nfs/dbraw/zinc/44/84/96/1123448496.db2.gz KRSIVEBKKCZGJA-BFUOFWGJSA-N -1 0 349.496 3.836 20 0 EHADRM O=C(NCc1ccc(Cl)cc1Cl)c1c([O-])cc(F)cc1F ZINC000066041520 1129125492 /nfs/dbraw/zinc/12/54/92/1129125492.db2.gz IJBCWEKSODOYFU-UHFFFAOYSA-N -1 0 332.133 3.907 20 0 EHADRM CCC(=O)c1cccc([N-]S(=O)(=O)c2cccc3c2N=S=N3)c1 ZINC000135394765 1123607484 /nfs/dbraw/zinc/60/74/84/1123607484.db2.gz QVZRIIOCLAFSII-UHFFFAOYSA-N -1 0 347.421 3.807 20 0 EHADRM O=S(=O)([N-]c1nc2ccccc2s1)c1ccc(F)cc1Cl ZINC000066246849 1129142679 /nfs/dbraw/zinc/14/26/79/1129142679.db2.gz XDJWUQYSNZVWPI-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM O=C(C=Cc1ccsc1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000064696213 1123717764 /nfs/dbraw/zinc/71/77/64/1123717764.db2.gz HGFLOYAOTSLUSW-DAFODLJHSA-N -1 0 345.804 3.899 20 0 EHADRM CN(Cc1cscn1)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000080004766 1123734386 /nfs/dbraw/zinc/73/43/86/1123734386.db2.gz XMKKXCARYAWRKD-UHFFFAOYSA-N -1 0 332.812 3.928 20 0 EHADRM Cc1ncsc1CN(C)C(=O)c1c([O-])cc(Cl)cc1Cl ZINC000080026774 1123734866 /nfs/dbraw/zinc/73/48/66/1123734866.db2.gz XIZZNPVEZAFQAU-UHFFFAOYSA-N -1 0 331.224 3.736 20 0 EHADRM COCc1nc2cc(NC(=O)c3ccc(Cl)cc3[O-])ccc2o1 ZINC000080038276 1123735848 /nfs/dbraw/zinc/73/58/48/1123735848.db2.gz ALEHSOJALCZJKR-UHFFFAOYSA-N -1 0 332.743 3.586 20 0 EHADRM O=C([O-])CCCCC(=O)NCCSCc1cccc2ccccc21 ZINC000263319286 1123798580 /nfs/dbraw/zinc/79/85/80/1123798580.db2.gz QYMQQVHMZUBXLL-UHFFFAOYSA-N -1 0 345.464 3.834 20 0 EHADRM Cc1ccc(-c2nc(C(=O)Nc3ccc(C)c(C(=O)[O-])c3)cs2)o1 ZINC000237755721 1123846379 /nfs/dbraw/zinc/84/63/79/1123846379.db2.gz CJMKXKIWSGCXGR-UHFFFAOYSA-N -1 0 342.376 3.970 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)n1 ZINC000081658194 1123871150 /nfs/dbraw/zinc/87/11/50/1123871150.db2.gz NLFADHXCZDQLKR-SWLSCSKDSA-N -1 0 345.418 3.676 20 0 EHADRM CCN(C[C@H]1CCCO1)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000138240027 1123871526 /nfs/dbraw/zinc/87/15/26/1123871526.db2.gz WPCZPFFGZCFQIO-GFCCVEGCSA-N -1 0 333.815 3.840 20 0 EHADRM Cc1c(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)cnn1-c1ccccc1 ZINC000237858126 1123884084 /nfs/dbraw/zinc/88/40/84/1123884084.db2.gz FMDDGBCJWSUYNV-FMIVXFBMSA-N -1 0 347.374 3.531 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)c2ccc(SC3CC3)cc2)s1 ZINC000543042091 1129152309 /nfs/dbraw/zinc/15/23/09/1129152309.db2.gz JDFBCYJQNOUCPZ-UHFFFAOYSA-N -1 0 333.482 3.809 20 0 EHADRM Cc1cc(C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])sc1-c1ccc(F)cc1 ZINC000263482443 1123925999 /nfs/dbraw/zinc/92/59/99/1123925999.db2.gz UWBOTIHBXIEBKA-MNOVXSKESA-N -1 0 335.400 3.702 20 0 EHADRM C[C@@H](Oc1cccc(C(=O)/C=C/c2ccc3ncccc3c2)c1)C(=O)[O-] ZINC000068726448 1124011001 /nfs/dbraw/zinc/01/10/01/1124011001.db2.gz CAXALFQBSAVXOW-QSYFUGGGSA-N -1 0 347.370 3.983 20 0 EHADRM CC(C)CCOc1ccccc1NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000616695158 1124024614 /nfs/dbraw/zinc/02/46/14/1124024614.db2.gz YYHFPQNJPHBMJA-UHFFFAOYSA-N -1 0 341.367 3.606 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3C[C@@H]4CCCC[C@@H]43)n2)c1 ZINC000616723821 1124024700 /nfs/dbraw/zinc/02/47/00/1124024700.db2.gz VJTALRRSSXKNJX-RDJZCZTQSA-N -1 0 339.439 3.716 20 0 EHADRM O=C(N=c1[n-]nc(C(F)(F)F)s1)c1cc2sccc2s1 ZINC000616999136 1124068261 /nfs/dbraw/zinc/06/82/61/1124068261.db2.gz QLCBVGXZYUYWGN-UHFFFAOYSA-N -1 0 335.357 3.507 20 0 EHADRM O=C(CCc1c[nH]c2ccccc12)N=c1cc(-c2cccs2)[nH][nH]1 ZINC000617365393 1124500289 /nfs/dbraw/zinc/50/02/89/1124500289.db2.gz KFEFTHACBYRKAM-UHFFFAOYSA-N -1 0 336.420 3.613 20 0 EHADRM O=C([O-])C1CCC(C(=O)N2CCC[C@@H]2CCCc2ccccc2)CC1 ZINC000263572204 1124573793 /nfs/dbraw/zinc/57/37/93/1124573793.db2.gz KPRWLEYYCPZSAF-ACBHZAAOSA-N -1 0 343.467 3.891 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(Cl)cc2F)cccc1N(C)C ZINC000181159124 1124610032 /nfs/dbraw/zinc/61/00/32/1124610032.db2.gz RZQYDLGTBGQCJN-UHFFFAOYSA-N -1 0 342.823 3.654 20 0 EHADRM O=C(NNc1ccccn1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000181179094 1124625931 /nfs/dbraw/zinc/62/59/31/1124625931.db2.gz ZHFVCQFABFWXBH-UHFFFAOYSA-N -1 0 339.782 3.865 20 0 EHADRM C[C@H]1CC[C@@](C)(CNC(=O)c2cnc3ccccc3c2O)C1(C)C ZINC000617662476 1124710674 /nfs/dbraw/zinc/71/06/74/1124710674.db2.gz IMFONYOCWGRIQR-RBZFPXEDSA-N -1 0 326.440 3.720 20 0 EHADRM CCCCS(=O)(=O)[N-]C(=O)CCCC[C@@H]1CCSS1 ZINC000069574737 1124905548 /nfs/dbraw/zinc/90/55/48/1124905548.db2.gz AIKHJBULQONYMI-LLVKDONJSA-N -1 0 325.521 3.787 20 0 EHADRM O=S(=O)([N-]c1cccc(Cl)c1)c1ccccc1-c1ccno1 ZINC000499345261 1125045913 /nfs/dbraw/zinc/04/59/13/1125045913.db2.gz ZANVQQGACGIOBS-UHFFFAOYSA-N -1 0 334.784 3.796 20 0 EHADRM CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccccc1SCC=C(C)C ZINC000181908820 1125080705 /nfs/dbraw/zinc/08/07/05/1125080705.db2.gz NGIWZOMECGVXKI-CYBMUJFWSA-N -1 0 341.498 3.603 20 0 EHADRM CCCC[C@H](CC)CC(=O)[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000735396643 1131339396 /nfs/dbraw/zinc/33/93/96/1131339396.db2.gz QZTAYRQOXPSVTG-HNNXBMFYSA-N -1 0 325.474 3.715 20 0 EHADRM CCCC[C@H](CC)CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000735399613 1131342356 /nfs/dbraw/zinc/34/23/56/1131342356.db2.gz QQOCRRPHIVSINH-NSHDSACASA-N -1 0 349.855 3.891 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000261895434 1125389239 /nfs/dbraw/zinc/38/92/39/1125389239.db2.gz OGSYTAXXZAMZMK-RYUDHWBXSA-N -1 0 329.318 3.621 20 0 EHADRM CCOC(=O)c1cnc(NC(=O)c2cc3c(s2)CCCCCC3)[n-]1 ZINC000619865304 1125419459 /nfs/dbraw/zinc/41/94/59/1125419459.db2.gz WUWKJEAKPGEGFZ-UHFFFAOYSA-N -1 0 347.440 3.559 20 0 EHADRM CC(C)[C@@H](Sc1ccccc1)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000543065290 1129179357 /nfs/dbraw/zinc/17/93/57/1129179357.db2.gz GRJSSOZQFVHPFI-ZSZQSSIHSA-N -1 0 347.480 3.517 20 0 EHADRM O=C(/C=C\C1CCCCC1)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000735595275 1131364570 /nfs/dbraw/zinc/36/45/70/1131364570.db2.gz DLZAJCWDCPYOKG-RAXLEYEMSA-N -1 0 343.448 3.781 20 0 EHADRM C[C@@H](CNC(=O)c1sc2cc(F)ccc2c1Cl)CC(=O)[O-] ZINC000157910069 1129405735 /nfs/dbraw/zinc/40/57/35/1129405735.db2.gz ZYUDEYRHWSZBPY-SSDOTTSWSA-N -1 0 329.780 3.534 20 0 EHADRM C[C@H](CNC(=O)c1sc2cc(F)ccc2c1Cl)CC(=O)[O-] ZINC000157909921 1129405859 /nfs/dbraw/zinc/40/58/59/1129405859.db2.gz ZYUDEYRHWSZBPY-ZETCQYMHSA-N -1 0 329.780 3.534 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N=c3ncn(C(C)(C)C)[n-]3)o2)cc1 ZINC000543384131 1129445776 /nfs/dbraw/zinc/44/57/76/1129445776.db2.gz ORSJNUXPPIDJNW-UHFFFAOYSA-N -1 0 338.411 3.530 20 0 EHADRM Cc1cccc(NC(=O)[C@H](C)Sc2nc(C)c(C3CC3)c(=O)[nH]2)c1 ZINC000631024920 1129454106 /nfs/dbraw/zinc/45/41/06/1129454106.db2.gz JFONUKMSUZTRHY-LBPRGKRZSA-N -1 0 343.452 3.796 20 0 EHADRM Cc1cccc(CCN=c2[n-]nc(Cc3ccc(Cl)cc3)s2)n1 ZINC000480496056 1129461886 /nfs/dbraw/zinc/46/18/86/1129461886.db2.gz SKAJALVNEFNYPN-UHFFFAOYSA-N -1 0 344.871 3.562 20 0 EHADRM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000480697305 1129476478 /nfs/dbraw/zinc/47/64/78/1129476478.db2.gz ZVYHKZDAQSSOAP-UHFFFAOYSA-N -1 0 344.358 3.854 20 0 EHADRM CCC[C@@]1(C)CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C1 ZINC000499843605 1129534812 /nfs/dbraw/zinc/53/48/12/1129534812.db2.gz XLSQPLHGYAFYPI-IBGZPJMESA-N -1 0 345.418 3.759 20 0 EHADRM O=C(Nc1ccnn1C1CCCC1)c1ccc2[n-]c(=S)oc2c1 ZINC000735881381 1131386307 /nfs/dbraw/zinc/38/63/07/1131386307.db2.gz HLZLGDOOASRJEA-UHFFFAOYSA-N -1 0 328.397 3.680 20 0 EHADRM C[C@@H](OC(=O)c1c(F)cc([O-])cc1F)C(=O)c1ccc(Cl)cc1 ZINC000735949371 1131393332 /nfs/dbraw/zinc/39/33/32/1131393332.db2.gz DLSHHUMTHIUXJW-MRVPVSSYSA-N -1 0 340.709 3.752 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)[C@H](C(=O)[O-])C1 ZINC000158981880 1129750588 /nfs/dbraw/zinc/75/05/88/1129750588.db2.gz HRTSQNOCZFWFND-UFBFGSQYSA-N -1 0 331.199 3.710 20 0 EHADRM CC[C@@H](NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)C1CCCCC1 ZINC000673654673 1129767892 /nfs/dbraw/zinc/76/78/92/1129767892.db2.gz ZCBMZCWAWWUEGU-QGZVFWFLSA-N -1 0 341.455 3.563 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)C[C@@]1(C(=O)[O-])CCSC1 ZINC000673697159 1129803200 /nfs/dbraw/zinc/80/32/00/1129803200.db2.gz SCELQTIGHDUTQH-AWEZNQCLSA-N -1 0 347.358 3.550 20 0 EHADRM CCOc1ccc(CN=c2[n-]nc(CC(C)C)s2)cc1OCC ZINC000347802479 1129822976 /nfs/dbraw/zinc/82/29/76/1129822976.db2.gz VAJPSPODWAROCT-UHFFFAOYSA-N -1 0 335.473 3.568 20 0 EHADRM C[C@H]1CCc2nc(CN=c3[n-]nc(C4CCCCC4)o3)sc2C1 ZINC000347819985 1129875492 /nfs/dbraw/zinc/87/54/92/1129875492.db2.gz RVUFUENNMLVMNN-NSHDSACASA-N -1 0 332.473 3.733 20 0 EHADRM CCc1n[n-]c(=NCc2ccc(OC)c(OCCC(C)C)c2)s1 ZINC000347819069 1129878437 /nfs/dbraw/zinc/87/84/37/1129878437.db2.gz UUCZDYVGHYTJRV-UHFFFAOYSA-N -1 0 335.473 3.568 20 0 EHADRM Cc1nc(-c2ccc(NS(=O)(=O)c3cc(C)cc(F)c3)cc2)co1 ZINC000673883015 1129894744 /nfs/dbraw/zinc/89/47/44/1129894744.db2.gz CJDUDZJYNCGHOM-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM Cc1cc(F)ccc1NC(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000673922462 1129906092 /nfs/dbraw/zinc/90/60/92/1129906092.db2.gz KHXSPAKJKDTNQD-UHFFFAOYSA-N -1 0 347.296 3.556 20 0 EHADRM O=C([O-])c1ccc(Nc2ncccc2OC(F)(F)F)c(F)c1F ZINC001212512070 1129919348 /nfs/dbraw/zinc/91/93/48/1129919348.db2.gz TXTVGGKEMCWGNI-UHFFFAOYSA-N -1 0 334.200 3.700 20 0 EHADRM Cc1ccc(Br)nc1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212512582 1129921786 /nfs/dbraw/zinc/92/17/86/1129921786.db2.gz TYZXRWOXVGLDEE-UHFFFAOYSA-N -1 0 343.127 3.873 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(OC(F)(F)F)ccn2)c(F)c1F ZINC001212512680 1129922065 /nfs/dbraw/zinc/92/20/65/1129922065.db2.gz YSRGTALLVCPWHB-UHFFFAOYSA-N -1 0 334.200 3.700 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc3nnc(C4CCC4)n3c2)c(F)c1F ZINC001212512698 1129922093 /nfs/dbraw/zinc/92/20/93/1129922093.db2.gz ZUVTZHNWLQTHAP-UHFFFAOYSA-N -1 0 344.321 3.717 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(Cn3ccnc3)cc2)c(F)c1F ZINC001212513448 1129923542 /nfs/dbraw/zinc/92/35/42/1129923542.db2.gz QLAPAWOTXAQLGH-UHFFFAOYSA-N -1 0 329.306 3.651 20 0 EHADRM O=C([O-])c1ccc(Nc2cccc(Cn3cccn3)c2)c(F)c1F ZINC001212513266 1129924104 /nfs/dbraw/zinc/92/41/04/1129924104.db2.gz IMKNDXJOLZPHJY-UHFFFAOYSA-N -1 0 329.306 3.651 20 0 EHADRM CCOC(=O)c1ccc(F)c(Nc2ccc(C(=O)[O-])c(F)c2F)c1 ZINC001212514166 1129925286 /nfs/dbraw/zinc/92/52/86/1129925286.db2.gz GCLYIXRQTBRTAO-UHFFFAOYSA-N -1 0 339.269 3.722 20 0 EHADRM CCOC(=O)Cc1cccc(Nc2ccc(C(=O)[O-])c(F)c2F)c1 ZINC001212515654 1129929587 /nfs/dbraw/zinc/92/95/87/1129929587.db2.gz ICIGEQSWSYCQOC-UHFFFAOYSA-N -1 0 335.306 3.512 20 0 EHADRM Cc1cnc([N-]S(=O)(=O)c2ccc(OC(C)C)c3ccccc32)o1 ZINC000673981692 1129931922 /nfs/dbraw/zinc/93/19/22/1129931922.db2.gz IDXDOPDEHNZAMP-UHFFFAOYSA-N -1 0 346.408 3.724 20 0 EHADRM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000003532663 1129940061 /nfs/dbraw/zinc/94/00/61/1129940061.db2.gz SUMVYCZGARITCJ-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM CC(C)CCc1n[n-]c(=NCc2nc(-c3ccccc3)cs2)o1 ZINC000347866954 1129946698 /nfs/dbraw/zinc/94/66/98/1129946698.db2.gz AGKIXQJCKNGILU-UHFFFAOYSA-N -1 0 328.441 3.816 20 0 EHADRM Cc1ccccc1C1(C(=O)N=c2ccc(-c3ccccc3)n[n-]2)CC1 ZINC000466626988 1129988815 /nfs/dbraw/zinc/98/88/15/1129988815.db2.gz RPNCIMWFTKJXPL-UHFFFAOYSA-N -1 0 329.403 3.544 20 0 EHADRM CSc1cccc(S(=O)(=O)[N-]c2nc3ccccc3s2)c1 ZINC000509218029 1129991785 /nfs/dbraw/zinc/99/17/85/1129991785.db2.gz DLKQLPQPJQULSL-UHFFFAOYSA-N -1 0 336.463 3.819 20 0 EHADRM Cc1ccc2cccc([N-]S(=O)(=O)c3c(F)cccc3F)c2n1 ZINC000171345171 1130047383 /nfs/dbraw/zinc/04/73/83/1130047383.db2.gz BCUIYKFTQZHEQJ-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)c1c([O-])cc(F)cc1F ZINC000675280660 1130302900 /nfs/dbraw/zinc/30/29/00/1130302900.db2.gz GHZVPNALROFHCO-QMMMGPOBSA-N -1 0 339.288 3.708 20 0 EHADRM C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)c1c([O-])cc(F)cc1F ZINC000675280656 1130303161 /nfs/dbraw/zinc/30/31/61/1130303161.db2.gz GHZVPNALROFHCO-MRVPVSSYSA-N -1 0 339.288 3.708 20 0 EHADRM CCc1oncc1-c1nc(-c2ccc3[n-]c(=S)sc3c2)no1 ZINC001212548961 1130353077 /nfs/dbraw/zinc/35/30/77/1130353077.db2.gz OCFVJDXVSLXAMV-UHFFFAOYSA-N -1 0 330.394 3.852 20 0 EHADRM Cc1c(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)cccc1C(=O)[O-] ZINC000675965846 1130511412 /nfs/dbraw/zinc/51/14/12/1130511412.db2.gz CDYANQLRBOHXTR-UONOGXRCSA-N -1 0 331.318 3.714 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)c1 ZINC000675968085 1130512202 /nfs/dbraw/zinc/51/22/02/1130512202.db2.gz LLFCZUXZXPZMKM-RYRKJORJSA-N -1 0 345.439 3.566 20 0 EHADRM CCCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000727949909 1130612257 /nfs/dbraw/zinc/61/22/57/1130612257.db2.gz BRPVHFNAXXLERZ-ZDUSSCGKSA-N -1 0 329.437 3.627 20 0 EHADRM CCCC[C@H](CCC)OC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000730292186 1130695904 /nfs/dbraw/zinc/69/59/04/1130695904.db2.gz MZOPFFQTFPKQGC-ZDUSSCGKSA-N -1 0 327.446 3.574 20 0 EHADRM CN(Cc1ccccc1)c1ccc(NC(=O)c2cncc(O)c2)cc1 ZINC000732274029 1130904012 /nfs/dbraw/zinc/90/40/12/1130904012.db2.gz ANJIYFRAFDEVFA-UHFFFAOYSA-N -1 0 333.391 3.676 20 0 EHADRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)/C=C(/C)c1ccccc1Cl ZINC000732909259 1130969068 /nfs/dbraw/zinc/96/90/68/1130969068.db2.gz YAQQQVZVLGATLW-YGYTWAPGSA-N -1 0 343.876 3.626 20 0 EHADRM CCC[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000733677152 1131066066 /nfs/dbraw/zinc/06/60/66/1131066066.db2.gz SLWZVQXIQJGUIA-AWEZNQCLSA-N -1 0 343.514 3.940 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)c1cc2c(cccc2Cl)s1 ZINC000733712926 1131073744 /nfs/dbraw/zinc/07/37/44/1131073744.db2.gz MXIVZCNLMNOAFH-UHFFFAOYSA-N -1 0 345.873 3.803 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1cc(Cl)c2c(c1)OCCO2 ZINC000734357869 1131224621 /nfs/dbraw/zinc/22/46/21/1131224621.db2.gz GJCZWCHKFCESKY-UHFFFAOYSA-N -1 0 340.162 3.723 20 0 EHADRM CC(C)NC(=O)Nc1ccc(NC(=O)c2c([O-])cccc2Cl)cc1 ZINC000736669122 1131430854 /nfs/dbraw/zinc/43/08/54/1131430854.db2.gz VYEPGFVKYJJPMM-UHFFFAOYSA-N -1 0 347.802 3.828 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)c2ccccc2OC2CCC2)cc1 ZINC000738558841 1131472350 /nfs/dbraw/zinc/47/23/50/1131472350.db2.gz MOWQQYIZQHUDDW-RAXLEYEMSA-N -1 0 337.375 3.968 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)[N-]S(=O)(=O)CC(C)(C)C)cc1 ZINC000739188577 1131493084 /nfs/dbraw/zinc/49/30/84/1131493084.db2.gz TUZUCOLWBUTHMW-CQSZACIVSA-N -1 0 339.501 3.796 20 0 EHADRM O=C(Nc1ccc(N2CCSCC2)cc1)c1ccc(Cl)cc1[O-] ZINC000741574834 1131624125 /nfs/dbraw/zinc/62/41/25/1131624125.db2.gz BBZTWXJNGFPQPV-UHFFFAOYSA-N -1 0 348.855 3.851 20 0 EHADRM Cc1nnc(-c2ccc(NC(=O)c3ccc(Cl)cc3[O-])cc2)o1 ZINC000741946328 1131674191 /nfs/dbraw/zinc/67/41/91/1131674191.db2.gz MPJIDLYXAUEOQX-UHFFFAOYSA-N -1 0 329.743 3.656 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccnn2C2CCCC2)cc(C)c1F ZINC000742029974 1131685078 /nfs/dbraw/zinc/68/50/78/1131685078.db2.gz MNUDFGRWKYWUCD-UHFFFAOYSA-N -1 0 337.420 3.555 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@@H](c2ccccc2)C(C)C)c1 ZINC000744005595 1132007262 /nfs/dbraw/zinc/00/72/62/1132007262.db2.gz HYBGCRPZFGJEMM-GOSISDBHSA-N -1 0 345.464 3.548 20 0 EHADRM Cc1cc(CO)cc(Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)c1 ZINC001212756841 1132147431 /nfs/dbraw/zinc/14/74/31/1132147431.db2.gz JNHUQUVUPSGNLT-UHFFFAOYSA-N -1 0 343.404 3.631 20 0 EHADRM Cc1cc(S(=O)(=O)[O-])c(Nc2cccc(F)c2F)cc1Cl ZINC001173948676 1132193406 /nfs/dbraw/zinc/19/34/06/1132193406.db2.gz DAELJCDWTLKPPU-UHFFFAOYSA-N -1 0 333.743 3.917 20 0 EHADRM COc1cccc(Nc2c(Cl)c(F)[n-]c(=O)c2Cl)c1OC ZINC001174014799 1132195175 /nfs/dbraw/zinc/19/51/75/1132195175.db2.gz ICLRTFOIIFKNKK-UHFFFAOYSA-N -1 0 333.146 3.994 20 0 EHADRM COc1ccc(C)cc1Nc1ccc(Cl)cc1S(=O)(=O)[O-] ZINC001173988443 1132196087 /nfs/dbraw/zinc/19/60/87/1132196087.db2.gz ZPOVKRAAVMXKTO-UHFFFAOYSA-N -1 0 327.789 3.647 20 0 EHADRM COc1cccc(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)c1F ZINC001173973258 1132204187 /nfs/dbraw/zinc/20/41/87/1132204187.db2.gz YCNVWKKEOGIFNI-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM COc1ccc(Nc2ccc(C)cc2Cl)c(S(=O)(=O)[O-])c1 ZINC001174045870 1132225077 /nfs/dbraw/zinc/22/50/77/1132225077.db2.gz OVDPFEGRPFQNGI-UHFFFAOYSA-N -1 0 327.789 3.647 20 0 EHADRM O=c1[n-]cnc(Nc2cccc(N3CCCCC3)c2)c1Br ZINC001174302618 1132302924 /nfs/dbraw/zinc/30/29/24/1132302924.db2.gz ZXQCZINJWCVIDN-UHFFFAOYSA-N -1 0 349.232 3.679 20 0 EHADRM CN(C)C(=O)Oc1cccc(Nc2cccc(/C=C/C(=O)[O-])c2)c1 ZINC001174497296 1132372722 /nfs/dbraw/zinc/37/27/22/1132372722.db2.gz LHAJBVCPMWWCDB-MDZDMXLPSA-N -1 0 326.352 3.588 20 0 EHADRM CCN1CCc2ccc(NC(=O)c3ccc4[n-]c(=S)oc4c3)cc21 ZINC000746214060 1132394274 /nfs/dbraw/zinc/39/42/74/1132394274.db2.gz WSDXFDNZXBSEPJ-UHFFFAOYSA-N -1 0 339.420 3.751 20 0 EHADRM Cc1cc(O)ccc1Nc1c(O)cc(S(=O)(=O)[O-])c2ccccc21 ZINC001174563389 1132416404 /nfs/dbraw/zinc/41/64/04/1132416404.db2.gz DXONKBKRYNRPEW-UHFFFAOYSA-N -1 0 345.376 3.550 20 0 EHADRM CCc1cc(Nc2ccc(C(=O)[O-])cc2OC)n(-c2ccccc2)n1 ZINC001174673284 1132432967 /nfs/dbraw/zinc/43/29/67/1132432967.db2.gz CCCDLZIIIOOVLV-UHFFFAOYSA-N -1 0 337.379 3.885 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cc(C(F)(F)F)ccc1N ZINC001174677726 1132433861 /nfs/dbraw/zinc/43/38/61/1132433861.db2.gz QLHSNZLGCIGDBR-UHFFFAOYSA-N -1 0 326.274 3.738 20 0 EHADRM COc1cc(Nc2ccnc3ccc(Cl)cc32)ccc1C(=O)[O-] ZINC001174680873 1132434647 /nfs/dbraw/zinc/43/46/47/1132434647.db2.gz FWDYQVXLJQMPRF-UHFFFAOYSA-N -1 0 328.755 3.761 20 0 EHADRM COc1cc(Nc2cc(C)nn2-c2ccc(F)cc2)ccc1C(=O)[O-] ZINC001174681407 1132434677 /nfs/dbraw/zinc/43/46/77/1132434677.db2.gz SDOFPGKBPAVIIS-UHFFFAOYSA-N -1 0 341.342 3.770 20 0 EHADRM COc1ccc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])cc1C ZINC001174832395 1132474342 /nfs/dbraw/zinc/47/43/42/1132474342.db2.gz YQLQGJTXEVAUGJ-UHFFFAOYSA-N -1 0 327.789 3.647 20 0 EHADRM Cc1cc(Nc2ccc(C(=O)[O-])s2)nc(C)c1Br ZINC001174803609 1132478160 /nfs/dbraw/zinc/47/81/60/1132478160.db2.gz WSFWBQSUGSZUKO-UHFFFAOYSA-N -1 0 327.203 3.964 20 0 EHADRM O=C([O-])c1ccc(Nc2cn3cc(Br)ccc3n2)s1 ZINC001174805765 1132478284 /nfs/dbraw/zinc/47/82/84/1132478284.db2.gz XWIFBVRYFCAFMN-UHFFFAOYSA-N -1 0 338.186 3.600 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(I)cc2)s1 ZINC001174807579 1132478810 /nfs/dbraw/zinc/47/88/10/1132478810.db2.gz MNKXANGQIRIAFT-UHFFFAOYSA-N -1 0 345.161 3.795 20 0 EHADRM COC(=O)c1cc(Nc2ccc(C(=O)[O-])s2)c(F)cc1Cl ZINC001174808596 1132479032 /nfs/dbraw/zinc/47/90/32/1132479032.db2.gz VKHRTSRJYPMSHD-UHFFFAOYSA-N -1 0 329.736 3.769 20 0 EHADRM O=C([O-])c1ccc(Nc2cn3cc(C(F)(F)F)ccc3n2)s1 ZINC001174807591 1132479433 /nfs/dbraw/zinc/47/94/33/1132479433.db2.gz KZYZPEFJASJVGK-UHFFFAOYSA-N -1 0 327.287 3.856 20 0 EHADRM COc1ccc(Br)c(Nc2ccc(CC(=O)[O-])cc2)c1 ZINC001174952205 1132516489 /nfs/dbraw/zinc/51/64/89/1132516489.db2.gz NWCWUQVYEPEGSF-UHFFFAOYSA-N -1 0 336.185 3.828 20 0 EHADRM O=C([O-])Cc1ccc(Nc2cc(F)ccc2OC[C@@H]2CCCO2)cc1 ZINC001174951779 1132516649 /nfs/dbraw/zinc/51/66/49/1132516649.db2.gz DKDRPGCXMHTYNU-INIZCTEOSA-N -1 0 345.370 3.754 20 0 EHADRM CCOC(=O)c1cc(C)c(Nc2ccc(CC(=O)[O-])cc2)c(C)c1 ZINC001174954750 1132517297 /nfs/dbraw/zinc/51/72/97/1132517297.db2.gz UZGWKTSOECEODI-UHFFFAOYSA-N -1 0 327.380 3.851 20 0 EHADRM O=C([O-])Cc1ccc(Nc2cc(Br)cc(F)c2O)cc1 ZINC001174954201 1132517680 /nfs/dbraw/zinc/51/76/80/1132517680.db2.gz FQFRKBCKRWMQTO-UHFFFAOYSA-N -1 0 340.148 3.665 20 0 EHADRM CC(C)(C)OC(=O)c1ccc(Nc2ccc(CC(=O)[O-])cc2)cc1O ZINC001174956900 1132518118 /nfs/dbraw/zinc/51/81/18/1132518118.db2.gz SRDLREYOGJWOAO-UHFFFAOYSA-N -1 0 343.379 3.718 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000391350042 1132518832 /nfs/dbraw/zinc/51/88/32/1132518832.db2.gz KYLGIJSPRWYUHU-RYUDHWBXSA-N -1 0 347.720 3.964 20 0 EHADRM COc1ccc(-c2nnsc2Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC001174982353 1132535675 /nfs/dbraw/zinc/53/56/75/1132535675.db2.gz ZYTUBEZZLYOQQZ-UHFFFAOYSA-N -1 0 341.392 3.964 20 0 EHADRM C[C@H]1CCc2c(sc(Nc3ccc(F)c(C(=O)[O-])c3)c2C(N)=O)C1 ZINC001175216159 1132597932 /nfs/dbraw/zinc/59/79/32/1132597932.db2.gz ZNSUFOCSTYMYQM-QMMMGPOBSA-N -1 0 348.399 3.553 20 0 EHADRM COCCCOc1ccc(F)cc1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175219203 1132598174 /nfs/dbraw/zinc/59/81/74/1132598174.db2.gz YVCHCYXZFLXJLV-UHFFFAOYSA-N -1 0 337.322 3.822 20 0 EHADRM O=C([O-])c1cc(Nc2cnc3cc(C4CCC4)nn3c2)ccc1F ZINC001175219749 1132598808 /nfs/dbraw/zinc/59/88/08/1132598808.db2.gz FTWIZIRIDQJZJD-UHFFFAOYSA-N -1 0 326.331 3.578 20 0 EHADRM O=c1[n-]c(F)c(Cl)c(Nc2c(F)ccc(O)c2F)c1Cl ZINC001175262556 1132621259 /nfs/dbraw/zinc/62/12/59/1132621259.db2.gz KBQXEKHSMDDQRK-UHFFFAOYSA-N -1 0 325.073 3.961 20 0 EHADRM COc1nc(Nc2ccc(C(=O)[O-])c(Cl)c2)cc2cccnc21 ZINC001175313422 1132635215 /nfs/dbraw/zinc/63/52/15/1132635215.db2.gz CHPPDUUCYSVFLE-UHFFFAOYSA-N -1 0 329.743 3.734 20 0 EHADRM Cc1cc(Nc2cccc(C(=O)[O-])c2)n(Cc2ccc(F)cc2)n1 ZINC001175328618 1132640100 /nfs/dbraw/zinc/64/01/00/1132640100.db2.gz LDJZRNNBSXRZFR-UHFFFAOYSA-N -1 0 325.343 3.821 20 0 EHADRM Cc1cc(Nc2cccc(C(=O)[O-])c2)n(Cc2cccc(F)c2)n1 ZINC001175328976 1132640116 /nfs/dbraw/zinc/64/01/16/1132640116.db2.gz PLTFSODPNOUCOX-UHFFFAOYSA-N -1 0 325.343 3.821 20 0 EHADRM O=C([O-])c1cccc(Nc2ccc3nc(-c4ccc(F)cc4)nn3c2)c1 ZINC001175331231 1132640667 /nfs/dbraw/zinc/64/06/67/1132640667.db2.gz VARGMVNHKIESKK-UHFFFAOYSA-N -1 0 348.337 3.977 20 0 EHADRM O=C([O-])c1cccc(Nc2ccc3nnc(-c4ccc(F)cc4)n3c2)c1 ZINC001175331328 1132641016 /nfs/dbraw/zinc/64/10/16/1132641016.db2.gz WWLFLJPGFGSYCY-UHFFFAOYSA-N -1 0 348.337 3.977 20 0 EHADRM Nc1ncc(Nc2ccc3[n-]c(=S)sc3c2)c(C(F)(F)F)n1 ZINC001175678116 1132736636 /nfs/dbraw/zinc/73/66/36/1132736636.db2.gz WKZAQDOUZHKXSE-UHFFFAOYSA-N -1 0 343.359 3.720 20 0 EHADRM O=C([O-])c1cncc(Nc2ccn3cc(-c4ccccc4)nc3c2)c1 ZINC001175840570 1132773116 /nfs/dbraw/zinc/77/31/16/1132773116.db2.gz CKOKAIBFFUCZTR-UHFFFAOYSA-N -1 0 330.347 3.838 20 0 EHADRM O=C([O-])c1cncc(Nc2c(Cl)cccc2Br)c1 ZINC001175842253 1132773645 /nfs/dbraw/zinc/77/36/45/1132773645.db2.gz XGNTZPSOBBKBJL-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM O=C(NC[C@H]1CCC2(CCC2)O1)c1cc(Cl)cc(Cl)c1[O-] ZINC001175861436 1132786699 /nfs/dbraw/zinc/78/66/99/1132786699.db2.gz FTBSSZLZTWJFPN-SNVBAGLBSA-N -1 0 330.211 3.531 20 0 EHADRM O=S(=O)([O-])c1cc(Cl)ccc1Nc1ccccc1OC(F)F ZINC001176012734 1132819619 /nfs/dbraw/zinc/81/96/19/1132819619.db2.gz RLWXSKZOWSRRMH-UHFFFAOYSA-N -1 0 349.742 3.932 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2ccccc2OC(F)F)c(Cl)c1 ZINC001176013219 1132819734 /nfs/dbraw/zinc/81/97/34/1132819734.db2.gz CZNDZZOBEFWJGO-UHFFFAOYSA-N -1 0 349.742 3.932 20 0 EHADRM O=C([O-])Cn1cc(Nc2ccc(Br)c3ccccc23)cn1 ZINC001176267097 1132898218 /nfs/dbraw/zinc/89/82/18/1132898218.db2.gz LYKBBVJQJSMQJP-UHFFFAOYSA-N -1 0 346.184 3.627 20 0 EHADRM CC(C)c1nnc([N-]c2cccc3c2cnn3[C@H]2CCCCO2)o1 ZINC001176314814 1132911741 /nfs/dbraw/zinc/91/17/41/1132911741.db2.gz DERKNGIOVZXONC-OAHLLOKOSA-N -1 0 327.388 3.985 20 0 EHADRM Cc1cc(/C=C/C(=O)N(C)[C@@H](C)C(=O)[O-])c(C)n1C1CCCCC1 ZINC000767018074 1132930948 /nfs/dbraw/zinc/93/09/48/1132930948.db2.gz LPCDVQHMZXEWLM-NKSUMMKUSA-N -1 0 332.444 3.555 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)/C=C\c1ccccc1Cl)c1ccccc1 ZINC000767067249 1132940672 /nfs/dbraw/zinc/94/06/72/1132940672.db2.gz IKNGPCQMGWZENT-MGLNXGDKSA-N -1 0 343.810 3.931 20 0 EHADRM C/C(=C\C(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000767110166 1132946127 /nfs/dbraw/zinc/94/61/27/1132946127.db2.gz DDQBHRVXJORCDD-ACCUITESSA-N -1 0 327.355 3.586 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2cccc(OC(F)(F)F)c2)cc1 ZINC001176540728 1132958933 /nfs/dbraw/zinc/95/89/33/1132958933.db2.gz KSXJVGFFMPRDOZ-UHFFFAOYSA-N -1 0 333.287 3.576 20 0 EHADRM COC(=O)c1cc(F)cc(F)c1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176589087 1132962429 /nfs/dbraw/zinc/96/24/29/1132962429.db2.gz TURLNRNESIPZJQ-UHFFFAOYSA-N -1 0 347.317 3.611 20 0 EHADRM CC(C)(C)Oc1ccc(Nc2nc[n-]c(=O)c2Br)cc1 ZINC001176637822 1132974960 /nfs/dbraw/zinc/97/49/60/1132974960.db2.gz CGOKDPWFRCMOJC-UHFFFAOYSA-N -1 0 338.205 3.866 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccc(Nc2ccc(C(=O)[O-])cc2)cn1 ZINC001176709381 1132994839 /nfs/dbraw/zinc/99/48/39/1132994839.db2.gz LASXJRHUEXBJLK-UHFFFAOYSA-N -1 0 329.356 3.870 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(Cl)nc2Br)cc1 ZINC001176711652 1132995211 /nfs/dbraw/zinc/99/52/11/1132995211.db2.gz RPWQDMAHUYWLIQ-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM CCCOc1ccc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)cc1 ZINC000768295063 1133121543 /nfs/dbraw/zinc/12/15/43/1133121543.db2.gz HEODVFXKSKHCIZ-UHFFFAOYSA-N -1 0 340.832 3.633 20 0 EHADRM O=S(=O)(c1ccccc1Cl)C1=C([O-])c2ccccc2CCC1 ZINC000769533676 1133310389 /nfs/dbraw/zinc/31/03/89/1133310389.db2.gz JQSNMWOYAUZPSE-MRXNPFEDSA-N -1 0 334.824 3.702 20 0 EHADRM Cc1cc(Cl)cc(Cl)c1CNC(=O)C1(C(=O)[O-])CCCCC1 ZINC001180438099 1133370645 /nfs/dbraw/zinc/37/06/45/1133370645.db2.gz BLXJAWILVZMXCZ-UHFFFAOYSA-N -1 0 344.238 3.953 20 0 EHADRM O=C([N-]OCCOc1ccccc1)C1(c2ccccc2)CCCC1 ZINC001180638806 1133401749 /nfs/dbraw/zinc/40/17/49/1133401749.db2.gz KPDCJVLTGYNXDK-UHFFFAOYSA-N -1 0 325.408 3.625 20 0 EHADRM CCOc1cc(-c2noc(-c3cccc(Cl)c3[O-])n2)ccc1O ZINC000771110638 1133511079 /nfs/dbraw/zinc/51/10/79/1133511079.db2.gz XNHAONVRDRDIFM-UHFFFAOYSA-N -1 0 332.743 3.867 20 0 EHADRM O=C(C[C@H](O)c1ccc(Cl)cc1)Nc1cc(F)cc(Cl)c1[O-] ZINC000771502714 1133566672 /nfs/dbraw/zinc/56/66/72/1133566672.db2.gz CMJKRKLIHZCRFL-ZDUSSCGKSA-N -1 0 344.169 3.900 20 0 EHADRM O=C(Nc1ccccc1[S-])C1(O)c2ccccc2-c2ccccc21 ZINC001182858538 1133740182 /nfs/dbraw/zinc/74/01/82/1133740182.db2.gz LJFAQZUSDUUSJP-UHFFFAOYSA-N -1 0 333.412 3.830 20 0 EHADRM CO[C@@H]1CCC[C@H]1C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC001183112834 1133770819 /nfs/dbraw/zinc/77/08/19/1133770819.db2.gz SFHFBKXYKXQSMT-LDYMZIIASA-N -1 0 348.624 3.562 20 0 EHADRM Cc1nc(Br)ccc1NC(=O)Cc1ccc([S-])cc1 ZINC001183186229 1133776418 /nfs/dbraw/zinc/77/64/18/1133776418.db2.gz JHJJJTIJXBPPTK-UHFFFAOYSA-N -1 0 337.242 3.622 20 0 EHADRM C[C@@H](C(=O)Nc1cc(=O)[n-]c(Cl)n1)c1ccc(F)c2ccccc21 ZINC001183504470 1133818401 /nfs/dbraw/zinc/81/84/01/1133818401.db2.gz ZKWDVWXFYDUNKI-SECBINFHSA-N -1 0 345.761 3.870 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000786620126 1133879124 /nfs/dbraw/zinc/87/91/24/1133879124.db2.gz UNHKJZXSMOROJL-WYMLVPIESA-N -1 0 339.391 3.754 20 0 EHADRM CSc1cc(NC(=O)c2ccc(Br)cc2[O-])ccn1 ZINC001184023586 1133885362 /nfs/dbraw/zinc/88/53/62/1133885362.db2.gz TWVJDXUPPAMNJS-UHFFFAOYSA-N -1 0 339.214 3.524 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)C1 ZINC001184509070 1133954514 /nfs/dbraw/zinc/95/45/14/1133954514.db2.gz JBTWBJFSOHSRRG-OCCSQVGLSA-N -1 0 347.436 3.851 20 0 EHADRM CCCCCc1ccc(OS(=O)(=O)c2cn[n-]c2Cl)cc1 ZINC001184699878 1133976784 /nfs/dbraw/zinc/97/67/84/1133976784.db2.gz ZBRKEZCFDZKMIT-UHFFFAOYSA-N -1 0 328.821 3.564 20 0 EHADRM Cc1cccc(-c2nsc([N-]c3ccn(Cc4ccccn4)n3)n2)c1 ZINC001185240899 1134056768 /nfs/dbraw/zinc/05/67/68/1134056768.db2.gz BZCBTDYCLADSOT-UHFFFAOYSA-N -1 0 348.435 3.897 20 0 EHADRM CCc1ccc(C)nc1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185421550 1134082347 /nfs/dbraw/zinc/08/23/47/1134082347.db2.gz VCXLNCXOHWTZSH-UHFFFAOYSA-N -1 0 332.450 3.968 20 0 EHADRM C[C@@H]1CCN(C(=O)C=C([O-])c2ccccc2Cl)CCC1(F)F ZINC001185426056 1134083488 /nfs/dbraw/zinc/08/34/88/1134083488.db2.gz FKQXBOWBNYEVHM-LLVKDONJSA-N -1 0 329.774 3.807 20 0 EHADRM CCc1ccc(O)c([N-]S(=O)(=O)c2cc3ccccc3s2)c1 ZINC001185458906 1134091291 /nfs/dbraw/zinc/09/12/91/1134091291.db2.gz BQMADIBYIRCAAM-UHFFFAOYSA-N -1 0 333.434 3.970 20 0 EHADRM COc1ccc(F)cc1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185459402 1134091520 /nfs/dbraw/zinc/09/15/20/1134091520.db2.gz GLYBURYXAMDPBG-UHFFFAOYSA-N -1 0 337.397 3.850 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)nc2C)ccc1Cl ZINC001185494806 1134097660 /nfs/dbraw/zinc/09/76/60/1134097660.db2.gz PNERFZNAXHVUAM-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)n(C(C)(C)C)n1 ZINC001185495084 1134099098 /nfs/dbraw/zinc/09/90/98/1134099098.db2.gz ZMMGXSJPQJTVAY-UHFFFAOYSA-N -1 0 341.864 3.709 20 0 EHADRM Cc1ccc2cccc([N-]S(=O)(=O)c3ccc(Cl)nc3)c2c1 ZINC001185687682 1134119759 /nfs/dbraw/zinc/11/97/59/1134119759.db2.gz VIYZGWBREJIGMS-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1c(O)cccc1C(F)(F)F ZINC001185836476 1134138934 /nfs/dbraw/zinc/13/89/34/1134138934.db2.gz NPQZTTCKWRYVLP-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1cccc([S-])c1 ZINC001186130470 1134172236 /nfs/dbraw/zinc/17/22/36/1134172236.db2.gz UKZGAWQVIOYNCU-UHFFFAOYSA-N -1 0 340.404 3.886 20 0 EHADRM Cc1cnn(C2CCC2)c1[N-]S(=O)(=O)c1csc2ccccc21 ZINC001186464060 1134225205 /nfs/dbraw/zinc/22/52/05/1134225205.db2.gz LDWJRSDYBDSOGE-UHFFFAOYSA-N -1 0 347.465 3.932 20 0 EHADRM O=C(N[C@@H](c1ccccc1F)C1CC1)c1cc(F)c(F)c([O-])c1F ZINC001186799157 1134258715 /nfs/dbraw/zinc/25/87/15/1134258715.db2.gz YJMZMHPPMUJWQI-OAHLLOKOSA-N -1 0 339.288 3.830 20 0 EHADRM O=S(=O)([N-][C@@H](c1cccc(Cl)c1)C(F)(F)F)c1ccco1 ZINC001186869358 1134264043 /nfs/dbraw/zinc/26/40/43/1134264043.db2.gz LUKMIVSFDWFDPA-NSHDSACASA-N -1 0 339.722 3.515 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)c(F)c(C(F)(F)F)c1)c1ccco1 ZINC001186859187 1134269747 /nfs/dbraw/zinc/26/97/47/1134269747.db2.gz OVZHPGTYVGFFOL-UHFFFAOYSA-N -1 0 343.685 3.892 20 0 EHADRM O=S(=O)([O-])c1cccc(NCc2ccccc2-c2cccnc2)c1 ZINC001170114607 1134313861 /nfs/dbraw/zinc/31/38/61/1134313861.db2.gz NCQIXVBMBXNGRK-UHFFFAOYSA-N -1 0 340.404 3.607 20 0 EHADRM Cn1ccc2ccc([N-]S(=O)(=O)c3cc4c(s3)CCCC4)cc21 ZINC001187214950 1134315769 /nfs/dbraw/zinc/31/57/69/1134315769.db2.gz GSVOKZNNWPSWIY-UHFFFAOYSA-N -1 0 346.477 3.919 20 0 EHADRM Cc1oncc1S(=O)(=O)[N-]c1c(C)cccc1Oc1ccccc1 ZINC001187368667 1134327856 /nfs/dbraw/zinc/32/78/56/1134327856.db2.gz JHNFWTNMZJSDPE-UHFFFAOYSA-N -1 0 344.392 3.885 20 0 EHADRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2cncc(Cl)n2)c1 ZINC000789739856 1134331431 /nfs/dbraw/zinc/33/14/31/1134331431.db2.gz OAHHHRNDZPOHDM-UHFFFAOYSA-N -1 0 346.239 3.537 20 0 EHADRM Cc1cnc(C)c(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)c1 ZINC001203663243 1134339639 /nfs/dbraw/zinc/33/96/39/1134339639.db2.gz GCAKIGLDANAUMU-UHFFFAOYSA-N -1 0 328.393 3.842 20 0 EHADRM Cc1cc(-n2cccn2)ccc1NC(=O)c1cccc(Cl)c1[O-] ZINC000789870323 1134343650 /nfs/dbraw/zinc/34/36/50/1134343650.db2.gz LJSMWUDTCUTUFX-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM O=C([O-])c1cc(NCc2ccc(Cl)c(F)c2)cc2c1OCCO2 ZINC000789901576 1134347561 /nfs/dbraw/zinc/34/75/61/1134347561.db2.gz ANQCOIVHFVVKJC-UHFFFAOYSA-N -1 0 337.734 3.561 20 0 EHADRM COc1ccc(-c2ccccc2)c([N-]S(=O)(=O)c2nccs2)c1 ZINC001187891600 1134400006 /nfs/dbraw/zinc/40/00/06/1134400006.db2.gz YOXXZZYPGNARRO-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)cs1)c1cnc(Cl)c(Cl)c1 ZINC001188048063 1134414191 /nfs/dbraw/zinc/41/41/91/1134414191.db2.gz TXSWJBMOTBKSNT-UHFFFAOYSA-N -1 0 343.644 3.904 20 0 EHADRM O=C(NC[C@@H]1CCc2ccccc21)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188598389 1134479788 /nfs/dbraw/zinc/47/97/88/1134479788.db2.gz BYHDRJYAAMEQSM-ZDUSSCGKSA-N -1 0 335.325 3.871 20 0 EHADRM Cc1ccc(NS(=O)(=O)c2ccc(Oc3cccnc3)cc2)cc1 ZINC001188846280 1134516525 /nfs/dbraw/zinc/51/65/25/1134516525.db2.gz FRQXGIDBKQYRTH-UHFFFAOYSA-N -1 0 340.404 3.983 20 0 EHADRM Cc1ccccc1NS(=O)(=O)c1ccc(Oc2cccnc2)cc1 ZINC001188847452 1134516606 /nfs/dbraw/zinc/51/66/06/1134516606.db2.gz UBVQKXPXXNVQNR-UHFFFAOYSA-N -1 0 340.404 3.983 20 0 EHADRM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)c3ccccc3n2)c1 ZINC001189191522 1134550200 /nfs/dbraw/zinc/55/02/00/1134550200.db2.gz MRQSVBDDWMJFRM-UHFFFAOYSA-N -1 0 340.404 3.547 20 0 EHADRM CCC[C@H](C)c1cc([N-]S(=O)(=O)Cc2ccc(F)c(F)c2)on1 ZINC001189273492 1134566333 /nfs/dbraw/zinc/56/63/33/1134566333.db2.gz ZHYFTOCQBDFYQO-JTQLQIEISA-N -1 0 344.383 3.798 20 0 EHADRM CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c2ccccc21 ZINC001189384758 1134577496 /nfs/dbraw/zinc/57/74/96/1134577496.db2.gz BBQFGDAPZXNKRI-UHFFFAOYSA-N -1 0 343.379 3.982 20 0 EHADRM CCOc1cncc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)c1 ZINC001189357451 1134580386 /nfs/dbraw/zinc/58/03/86/1134580386.db2.gz YPIDJTROKUJWRD-UHFFFAOYSA-N -1 0 346.383 3.573 20 0 EHADRM CCOc1ncccc1[N-]S(=O)(=O)c1ccc(F)c2ccccc21 ZINC001189357446 1134580593 /nfs/dbraw/zinc/58/05/93/1134580593.db2.gz YOCJKMOSNPJRDG-UHFFFAOYSA-N -1 0 346.383 3.573 20 0 EHADRM CC(C)(C(=O)[N-]OC1CCCC1)c1cccc(Br)c1 ZINC000775274740 1134606837 /nfs/dbraw/zinc/60/68/37/1134606837.db2.gz UNNIUENCVOYCHX-UHFFFAOYSA-N -1 0 326.234 3.717 20 0 EHADRM Cc1csc(C(=O)[N-]S(=O)(=O)c2cc(C)c(C)s2)c1Cl ZINC000791861223 1134614111 /nfs/dbraw/zinc/61/41/11/1134614111.db2.gz IFXPHPBZROYDGT-UHFFFAOYSA-N -1 0 349.886 3.507 20 0 EHADRM CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000775291623 1134615341 /nfs/dbraw/zinc/61/53/41/1134615341.db2.gz MYEAEUDAHGNQMB-NSHDSACASA-N -1 0 331.503 3.776 20 0 EHADRM O=C([O-])c1ccc(Nc2ccnn2Cc2ccc(F)cc2)c(F)c1 ZINC001203285952 1134629069 /nfs/dbraw/zinc/62/90/69/1134629069.db2.gz BUKCTBLDTZANRH-UHFFFAOYSA-N -1 0 329.306 3.651 20 0 EHADRM Cc1ncc(Br)cc1Nc1ccc(C(=O)[O-])cc1F ZINC001203286152 1134629705 /nfs/dbraw/zinc/62/97/05/1134629705.db2.gz JPPZFBAUHRXAGF-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1ccccc1OC(F)F ZINC001189823471 1134630571 /nfs/dbraw/zinc/63/05/71/1134630571.db2.gz JDSKDWQZUUBJRI-UHFFFAOYSA-N -1 0 349.305 3.508 20 0 EHADRM Cc1cc(C)nc([N-]S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)c1 ZINC001189948597 1134640544 /nfs/dbraw/zinc/64/05/44/1134640544.db2.gz XLZCARCBOGINRJ-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM O=C(Nc1ccc2n[nH]cc2c1)c1cc(Br)ccc1[S-] ZINC001189952250 1134641572 /nfs/dbraw/zinc/64/15/72/1134641572.db2.gz VPYXXAPNGQDWPF-UHFFFAOYSA-N -1 0 348.225 3.866 20 0 EHADRM COc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cccc(C)c1 ZINC001190218800 1134672189 /nfs/dbraw/zinc/67/21/89/1134672189.db2.gz MYRFLBVDLMMJJR-UHFFFAOYSA-N -1 0 345.342 3.823 20 0 EHADRM Cc1cc(C)c(NC(=O)c2ccccc2C(C)C)c(S(=O)(=O)[O-])c1 ZINC001190265340 1134674990 /nfs/dbraw/zinc/67/49/90/1134674990.db2.gz PSDABQIJSUITDC-UHFFFAOYSA-N -1 0 347.436 3.926 20 0 EHADRM CCOC(=O)c1[nH]cnc1NC(=O)c1cccc(-c2ccccc2C)c1 ZINC001190291094 1134680854 /nfs/dbraw/zinc/68/08/54/1134680854.db2.gz VBLHWGLWLNAAAP-UHFFFAOYSA-N -1 0 349.390 3.814 20 0 EHADRM Cc1ccc(C)c([C@H](C)NS(=O)(=O)c2cc(F)cc(F)c2F)c1 ZINC001190414187 1134696041 /nfs/dbraw/zinc/69/60/41/1134696041.db2.gz OLCLRLPTTYFYSS-NSHDSACASA-N -1 0 343.370 3.760 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cnccc2N(C)C)cc1 ZINC001190423622 1134698585 /nfs/dbraw/zinc/69/85/85/1134698585.db2.gz LPGRIROXNQRYKM-UHFFFAOYSA-N -1 0 347.484 3.636 20 0 EHADRM O=C(c1ccc(Nc2ccccc2[S-])cc1)N1CCC(=O)CC1 ZINC001190846344 1134758984 /nfs/dbraw/zinc/75/89/84/1134758984.db2.gz ILHKCCKDSNXYIX-UHFFFAOYSA-N -1 0 326.421 3.524 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cc(Cl)nc(C)n2)cc1 ZINC001191224191 1134829804 /nfs/dbraw/zinc/82/98/04/1134829804.db2.gz BMVZGXZXHAUDHF-UHFFFAOYSA-N -1 0 339.848 3.582 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cncc(OC)c2C)cc1 ZINC001191233813 1134832137 /nfs/dbraw/zinc/83/21/37/1134832137.db2.gz SLLRXNVZEPACDL-UHFFFAOYSA-N -1 0 334.441 3.542 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cccc3c2C(=O)CC3)cc1 ZINC001191249031 1134837007 /nfs/dbraw/zinc/83/70/07/1134837007.db2.gz LOEHXNUKTMEVPG-UHFFFAOYSA-N -1 0 343.448 3.959 20 0 EHADRM Cc1ccnc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2Cl)c1 ZINC001191721417 1134904699 /nfs/dbraw/zinc/90/46/99/1134904699.db2.gz BCUQYFTVUKNXDL-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2Cl)nc(C)n1 ZINC001191721430 1134905320 /nfs/dbraw/zinc/90/53/20/1134905320.db2.gz BRFCUCNDWDEBRY-UHFFFAOYSA-N -1 0 346.239 3.509 20 0 EHADRM Cc1c(Cl)ccc(S(=O)(=O)[N-]c2ccccc2CO)c1Cl ZINC001191753712 1134916919 /nfs/dbraw/zinc/91/69/19/1134916919.db2.gz AGOLBEGECKCQLA-UHFFFAOYSA-N -1 0 346.235 3.595 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(C)c(F)c(F)c1 ZINC001191835040 1134933820 /nfs/dbraw/zinc/93/38/20/1134933820.db2.gz YLGYMRVOYIMJBC-UHFFFAOYSA-N -1 0 341.379 3.781 20 0 EHADRM O=S(=O)([N-]c1c(F)ccc(Cl)c1F)C(Cl)(Cl)Cl ZINC001192035673 1134959654 /nfs/dbraw/zinc/95/96/54/1134959654.db2.gz VKUJIFPCKDRWAD-UHFFFAOYSA-N -1 0 344.981 3.688 20 0 EHADRM O=C([N-]c1csc2cnccc12)c1nc(Cc2ccccc2)no1 ZINC001192262859 1134989927 /nfs/dbraw/zinc/98/99/27/1134989927.db2.gz UEEBOQVBOZWDIS-UHFFFAOYSA-N -1 0 336.376 3.522 20 0 EHADRM C[C@H]1CC[C@@](C)(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)C1(C)C ZINC001192310606 1134997151 /nfs/dbraw/zinc/99/71/51/1134997151.db2.gz YMGOENXMFXZJIR-QFYYESIMSA-N -1 0 349.418 3.845 20 0 EHADRM COc1cccc(NS(=O)(=O)c2cnc(Cl)cc2C)c1Cl ZINC001192355432 1135004003 /nfs/dbraw/zinc/00/40/03/1135004003.db2.gz HKZGTJHPCJSIMU-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)sc2c1)c1c(F)ccc(O)c1F ZINC001192541350 1135032891 /nfs/dbraw/zinc/03/28/91/1135032891.db2.gz UCOCRGGALJASOJ-UHFFFAOYSA-N -1 0 338.360 3.821 20 0 EHADRM CC1(C)CC(=O)Nc2c(NC(=O)c3c(F)ccc(F)c3[O-])cccc21 ZINC001192716039 1135051559 /nfs/dbraw/zinc/05/15/59/1135051559.db2.gz DTZTZFBGZPJDIE-UHFFFAOYSA-N -1 0 346.333 3.543 20 0 EHADRM C[C@H](NC(=O)c1cc(F)c([O-])cc1F)c1nc(-c2ccccc2)c[nH]1 ZINC001192876543 1135062921 /nfs/dbraw/zinc/06/29/21/1135062921.db2.gz LWDUSBPIFUEDSC-JTQLQIEISA-N -1 0 343.333 3.552 20 0 EHADRM O=C(NCCc1ccc2ccccc2c1)c1ccc([O-])c(F)c1F ZINC001192842875 1135063548 /nfs/dbraw/zinc/06/35/48/1135063548.db2.gz OBHZDDNVFSPZDI-UHFFFAOYSA-N -1 0 327.330 3.796 20 0 EHADRM CC1(C)CC(=O)Nc2c(NC(=O)c3cc(F)c([O-])cc3F)cccc21 ZINC001192879886 1135073857 /nfs/dbraw/zinc/07/38/57/1135073857.db2.gz QINCTASMERPVSL-UHFFFAOYSA-N -1 0 346.333 3.543 20 0 EHADRM CC(C)[C@H](NC(=O)c1cc(Cl)nc(Cl)c1[O-])c1cccnc1 ZINC001193097181 1135106974 /nfs/dbraw/zinc/10/69/74/1135106974.db2.gz GKVVUTNTVWHKNK-LBPRGKRZSA-N -1 0 340.210 3.616 20 0 EHADRM O=S(=O)(CC1CCC1)[N-]c1cc(-c2ccc(Cl)cc2)no1 ZINC001193471098 1135140549 /nfs/dbraw/zinc/14/05/49/1135140549.db2.gz IRVUPSVILNVMAX-UHFFFAOYSA-N -1 0 326.805 3.537 20 0 EHADRM CCC(CC)Oc1ccc(F)cc1[N-]S(=O)(=O)CC1CCC1 ZINC001193523741 1135151937 /nfs/dbraw/zinc/15/19/37/1135151937.db2.gz LAPCROYKFGKORY-UHFFFAOYSA-N -1 0 329.437 3.935 20 0 EHADRM O=C(Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1)OC1CCCCC1 ZINC001193632648 1135162286 /nfs/dbraw/zinc/16/22/86/1135162286.db2.gz MNVLNSUREJCIQG-UHFFFAOYSA-N -1 0 349.408 3.968 20 0 EHADRM COc1cccc(SC)c1NC(=O)c1csc(-c2ncc[nH]2)n1 ZINC001129982173 1135211274 /nfs/dbraw/zinc/21/12/74/1135211274.db2.gz WMXLROHQLPBEMD-UHFFFAOYSA-N -1 0 346.437 3.516 20 0 EHADRM COCCCO[N-]C(=O)Cc1csc(-c2ccc(C(C)C)cc2)n1 ZINC000805040568 1135227863 /nfs/dbraw/zinc/22/78/63/1135227863.db2.gz OQIAWMJRZUNUAU-UHFFFAOYSA-N -1 0 348.468 3.560 20 0 EHADRM Cn1[n-]c(C(=O)Nc2cccc3ccc(-c4ccccc4)nc32)cc1=O ZINC001194202518 1135242668 /nfs/dbraw/zinc/24/26/68/1135242668.db2.gz LEPMUJZRQSNXRM-UHFFFAOYSA-N -1 0 344.374 3.593 20 0 EHADRM COc1ccc(-c2n[n-]sc2=NC(=O)Oc2ccccc2)cc1 ZINC001194220263 1135245874 /nfs/dbraw/zinc/24/58/74/1135245874.db2.gz BIVFHZYXJIRCBL-UHFFFAOYSA-N -1 0 327.365 3.825 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1ccccc1Cn1cccn1 ZINC000805257958 1135253783 /nfs/dbraw/zinc/25/37/83/1135253783.db2.gz GPUNAJWTGNSJBM-UHFFFAOYSA-N -1 0 345.761 3.682 20 0 EHADRM O=C(Nc1cc(Cl)nnc1Cl)c1ccc(C(F)(F)F)o1 ZINC001194405389 1135265177 /nfs/dbraw/zinc/26/51/77/1135265177.db2.gz RIYBGVQZVWZQGF-UHFFFAOYSA-N -1 0 326.061 3.648 20 0 EHADRM C[C@@H]1CC(C)(C)C[C@](C)(NS(=O)(=O)c2cccc(Cl)c2[O-])C1 ZINC001194408698 1135266078 /nfs/dbraw/zinc/26/60/78/1135266078.db2.gz KCIHXCRBOBEKLR-BDJLRTHQSA-N -1 0 345.892 3.929 20 0 EHADRM Cc1ccc(OC(=O)Nc2cc(S(=O)(=O)[O-])ccc2Cl)cc1 ZINC001194462440 1135270259 /nfs/dbraw/zinc/27/02/59/1135270259.db2.gz DVJYZRKNODVUAG-UHFFFAOYSA-N -1 0 341.772 3.506 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)cs1)c1ncccc1C(F)(F)F ZINC001194540212 1135282762 /nfs/dbraw/zinc/28/27/62/1135282762.db2.gz WDUHPQNCSYHYPL-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1cc(-c2ccncn2)cs1 ZINC001194609888 1135286419 /nfs/dbraw/zinc/28/64/19/1135286419.db2.gz OIDDKBAVBCVCFN-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2ncccc2C(F)(F)F)c1 ZINC001194562262 1135286568 /nfs/dbraw/zinc/28/65/68/1135286568.db2.gz QDWLNTKHDIWBEQ-UHFFFAOYSA-N -1 0 348.371 3.623 20 0 EHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1cc(Cl)cc2ncoc21 ZINC001194643548 1135296405 /nfs/dbraw/zinc/29/64/05/1135296405.db2.gz ZEDPWERZZZZLDA-UHFFFAOYSA-N -1 0 336.800 3.899 20 0 EHADRM CC(C)(C)CCCCC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000805841757 1135333573 /nfs/dbraw/zinc/33/35/73/1135333573.db2.gz MNPPHSCJBBMLHJ-UHFFFAOYSA-N -1 0 331.865 3.751 20 0 EHADRM O=S(=O)([N-]c1cc2ccccc2s1)c1cccc2nccnc21 ZINC001194943639 1135344829 /nfs/dbraw/zinc/34/48/29/1135344829.db2.gz ZOPQKRUDXIXMFY-UHFFFAOYSA-N -1 0 341.417 3.645 20 0 EHADRM Cc1cccc(C2CC2)c1[N-]S(=O)(=O)c1cccc2nccnc21 ZINC001194988376 1135350427 /nfs/dbraw/zinc/35/04/27/1135350427.db2.gz QZWYILWPTSSWNC-UHFFFAOYSA-N -1 0 339.420 3.616 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cnc3cccc(O)c3c2)c1 ZINC001195120932 1135373740 /nfs/dbraw/zinc/37/37/40/1135373740.db2.gz RGWVYYYLOCAKIV-UHFFFAOYSA-N -1 0 342.420 3.865 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc3c2OCCC3)c1 ZINC001195159052 1135384075 /nfs/dbraw/zinc/38/40/75/1135384075.db2.gz LQMPIXCEUCHWRY-UHFFFAOYSA-N -1 0 331.437 3.936 20 0 EHADRM O=C(NCCc1nc2ccccc2s1)c1cccc(Cl)c1[O-] ZINC000775644398 1135384826 /nfs/dbraw/zinc/38/48/26/1135384826.db2.gz KVNPHVGHJWSWIV-UHFFFAOYSA-N -1 0 332.812 3.628 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2c(C)cccc2Cl)c2ccccc2n1 ZINC001195268178 1135402530 /nfs/dbraw/zinc/40/25/30/1135402530.db2.gz RGZOLXFRKLAWKC-UHFFFAOYSA-N -1 0 346.839 3.728 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cc(C2CCC2)no1 ZINC001195272477 1135402948 /nfs/dbraw/zinc/40/29/48/1135402948.db2.gz XZOTURSIBQSAGE-UHFFFAOYSA-N -1 0 326.805 3.705 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)CC2 ZINC001195308135 1135410886 /nfs/dbraw/zinc/41/08/86/1135410886.db2.gz IJDUKOGWDBNHDA-UHFFFAOYSA-N -1 0 335.812 3.578 20 0 EHADRM Nc1c(F)cc(Cl)cc1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000805260097 1135438164 /nfs/dbraw/zinc/43/81/64/1135438164.db2.gz ZHIKVHVUVSYIFT-UHFFFAOYSA-N -1 0 333.121 3.812 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1ccc(Br)nc1 ZINC000805261375 1135443169 /nfs/dbraw/zinc/44/31/69/1135443169.db2.gz YCSPHBGORDVKSR-UHFFFAOYSA-N -1 0 345.555 3.595 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccsc3)cc2)cn1 ZINC001195724609 1135454813 /nfs/dbraw/zinc/45/48/13/1135454813.db2.gz DPMLDXZQGQYQFK-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM CCCSc1nc(=NC(=O)N(Cc2ccccc2)OC)s[n-]1 ZINC000775673840 1135486840 /nfs/dbraw/zinc/48/68/40/1135486840.db2.gz MDKBGHLEUDRQQF-UHFFFAOYSA-N -1 0 338.458 3.636 20 0 EHADRM CCC(C)(C)NS(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC001196065869 1135509603 /nfs/dbraw/zinc/50/96/03/1135509603.db2.gz FQUKBEBCMFJGLW-UHFFFAOYSA-N -1 0 347.436 3.519 20 0 EHADRM C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cccc(Cl)c1[O-] ZINC000775698668 1135532568 /nfs/dbraw/zinc/53/25/68/1135532568.db2.gz QLIKVINAGACDDS-LRDDRELGSA-N -1 0 331.799 3.648 20 0 EHADRM CC(C)(C)Oc1cccc([N-]S(=O)(=O)c2ccc(Cl)cn2)c1 ZINC001196250563 1135535275 /nfs/dbraw/zinc/53/52/75/1135535275.db2.gz HZOGBCUDCBAVHJ-UHFFFAOYSA-N -1 0 340.832 3.713 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2ccc(Cl)cn2)cc2ccccc21 ZINC001196245910 1135540581 /nfs/dbraw/zinc/54/05/81/1135540581.db2.gz GNYIHPYPOPNBJD-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)ns2)c(F)c1 ZINC001196354174 1135551040 /nfs/dbraw/zinc/55/10/40/1135551040.db2.gz MSSUACILJCPHFJ-UHFFFAOYSA-N -1 0 328.434 3.689 20 0 EHADRM O=C(NCc1cccc2ncccc12)c1cc(Cl)c(F)cc1[O-] ZINC001196465833 1135563770 /nfs/dbraw/zinc/56/37/70/1135563770.db2.gz AIGJRUKCULNTRF-UHFFFAOYSA-N -1 0 330.746 3.663 20 0 EHADRM O=C(Nc1ccc2oc(=O)ccc2c1)c1cc(Cl)c(F)cc1[O-] ZINC001196467442 1135563786 /nfs/dbraw/zinc/56/37/86/1135563786.db2.gz QHTBTSKYIZQBEP-UHFFFAOYSA-N -1 0 333.702 3.543 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2n[n-]c3ccccc3c2=O)C(C)C)c1 ZINC001170534095 1135573130 /nfs/dbraw/zinc/57/31/30/1135573130.db2.gz HBFRYNCUEYUZMG-QGZVFWFLSA-N -1 0 335.407 3.771 20 0 EHADRM CC(C)c1nc(CN(C)C(=S)Nc2ccc(C(=O)[O-])cc2)cs1 ZINC001197097117 1135645445 /nfs/dbraw/zinc/64/54/45/1135645445.db2.gz YPJDAOGAKBONGT-UHFFFAOYSA-N -1 0 349.481 3.794 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2csc3ncccc23)cc1 ZINC001197075150 1135647207 /nfs/dbraw/zinc/64/72/07/1135647207.db2.gz IJDYZYGRNGIYPV-UHFFFAOYSA-N -1 0 329.406 3.803 20 0 EHADRM CCCCOc1cc(NC(=S)Nc2ccc(C(=O)[O-])cc2)ccn1 ZINC001197076548 1135647258 /nfs/dbraw/zinc/64/72/58/1135647258.db2.gz IEZRQXQLNJUHIQ-UHFFFAOYSA-N -1 0 345.424 3.768 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2ncccc2C(F)(F)F)cc1 ZINC001197075157 1135647374 /nfs/dbraw/zinc/64/73/74/1135647374.db2.gz IQFOQVSJFVFDCG-UHFFFAOYSA-N -1 0 341.314 3.608 20 0 EHADRM CC1(NC(=S)Nc2ccc(C(=O)[O-])cc2)CCC(F)(F)CC1 ZINC001197140617 1135649447 /nfs/dbraw/zinc/64/94/47/1135649447.db2.gz UXDCPKYYLHCJLZ-UHFFFAOYSA-N -1 0 328.384 3.639 20 0 EHADRM CCc1ccc(OC)c(NC(=S)Nc2ccc(C(=O)[O-])cc2)c1 ZINC001197119976 1135651926 /nfs/dbraw/zinc/65/19/26/1135651926.db2.gz ZJPWCTWPYXVJRZ-UHFFFAOYSA-N -1 0 330.409 3.765 20 0 EHADRM Cc1cccc(C2(NC(=S)Nc3ccc(C(=O)[O-])cc3)CC2)c1 ZINC001197147290 1135654093 /nfs/dbraw/zinc/65/40/93/1135654093.db2.gz NDOKGKNOIVNCEV-UHFFFAOYSA-N -1 0 326.421 3.669 20 0 EHADRM C[C@H](OC(=O)c1ccc([O-])c(Cl)c1)C(=O)C1(c2ccccc2)CC1 ZINC000808487212 1135678537 /nfs/dbraw/zinc/67/85/37/1135678537.db2.gz DYSHDVRRPDUBDY-LBPRGKRZSA-N -1 0 344.794 3.892 20 0 EHADRM CCOc1ccc(C)cc1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC001197600045 1135712931 /nfs/dbraw/zinc/71/29/31/1135712931.db2.gz HQHSZYXKQYTXQD-UHFFFAOYSA-N -1 0 341.379 3.614 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)c(F)c2)c1 ZINC001198009879 1135761778 /nfs/dbraw/zinc/76/17/78/1135761778.db2.gz XSXBTKJCQMWNDY-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)CC2(C)CCCC2)s1 ZINC000808994448 1135766154 /nfs/dbraw/zinc/76/61/54/1135766154.db2.gz QNYYZYNPUDLPSB-UHFFFAOYSA-N -1 0 343.514 3.821 20 0 EHADRM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1cccc(Cl)n1 ZINC001198233982 1135789766 /nfs/dbraw/zinc/78/97/66/1135789766.db2.gz VUSGDIFKOJSNIX-UHFFFAOYSA-N -1 0 338.860 3.969 20 0 EHADRM CCC(CC)N(CC)S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1 ZINC000809150283 1135791055 /nfs/dbraw/zinc/79/10/55/1135791055.db2.gz DEVRDKVFMKUVEO-UHFFFAOYSA-N -1 0 347.864 3.546 20 0 EHADRM COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2[S-])c(C)c1 ZINC001198941414 1135867963 /nfs/dbraw/zinc/86/79/63/1135867963.db2.gz BLYNDJBJEMUVFZ-UHFFFAOYSA-N -1 0 343.857 3.747 20 0 EHADRM Cc1ccc(C(=O)Nc2cc(Cl)c(C)c(Cl)c2[O-])[nH]c1=O ZINC001199264232 1135891310 /nfs/dbraw/zinc/89/13/10/1135891310.db2.gz DMRQCHFAOJIYSQ-UHFFFAOYSA-N -1 0 327.167 3.669 20 0 EHADRM CC(C)c1nc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c[nH]1 ZINC000747594355 1135923643 /nfs/dbraw/zinc/92/36/43/1135923643.db2.gz PLILXCFTGMJFTO-UHFFFAOYSA-N -1 0 347.412 3.649 20 0 EHADRM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC001149040701 1135954074 /nfs/dbraw/zinc/95/40/74/1135954074.db2.gz ANGGVIORQBMQQI-UKRRQHHQSA-N -1 0 327.428 3.523 20 0 EHADRM CSc1cc(C)nc(SC)c1[N-]C(=O)c1cc2cccn2cn1 ZINC001201369334 1136009114 /nfs/dbraw/zinc/00/91/14/1136009114.db2.gz ZCENGUXUSWJLHJ-UHFFFAOYSA-N -1 0 344.465 3.734 20 0 EHADRM Cc1ccccc1Oc1cccc(S(=O)(=O)[N-]c2ncco2)c1 ZINC001201569159 1136041857 /nfs/dbraw/zinc/04/18/57/1136041857.db2.gz SNCMRNXKSSQWIR-UHFFFAOYSA-N -1 0 330.365 3.576 20 0 EHADRM C[C@@H]1CN(c2ccc(NC(=O)c3cccc(Cl)c3[O-])cc2)CCO1 ZINC000776232132 1136088271 /nfs/dbraw/zinc/08/82/71/1136088271.db2.gz SILOVCRLGCHDKB-GFCCVEGCSA-N -1 0 346.814 3.523 20 0 EHADRM CCOc1ccc(NC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1F ZINC000811815664 1136144649 /nfs/dbraw/zinc/14/46/49/1136144649.db2.gz XGYXVLIQIKZFRP-UHFFFAOYSA-N -1 0 337.734 3.828 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)NC2(c3ccccc3F)CC2)c1 ZINC000811819270 1136145672 /nfs/dbraw/zinc/14/56/72/1136145672.db2.gz MNFWIIGPKMTBRK-UHFFFAOYSA-N -1 0 333.746 3.596 20 0 EHADRM O=C(NC(=O)c1ccccc1)Nc1c(Cl)ccc([O-])c1Cl ZINC001202456712 1136146015 /nfs/dbraw/zinc/14/60/15/1136146015.db2.gz OHXPJHGKMMAGDR-UHFFFAOYSA-N -1 0 325.151 3.661 20 0 EHADRM Cc1ccc(NC(=O)Nc2ccc(Cl)cc2S(=O)(=O)[O-])cc1 ZINC001202430345 1136147526 /nfs/dbraw/zinc/14/75/26/1136147526.db2.gz OQWPGPWSMKYSST-UHFFFAOYSA-N -1 0 340.788 3.539 20 0 EHADRM O=C(CC1=CCCCC1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000106982689 1136157249 /nfs/dbraw/zinc/15/72/49/1136157249.db2.gz IJYKALQFPBEDGK-UHFFFAOYSA-N -1 0 348.251 3.689 20 0 EHADRM O=C(OCc1cncc(C(F)(F)F)c1)c1ccc([O-])c(Cl)c1 ZINC000812574203 1136219389 /nfs/dbraw/zinc/21/93/89/1136219389.db2.gz HBXAQVAXKSIDST-UHFFFAOYSA-N -1 0 331.677 3.816 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H](C)CC(C)(C)C)c(F)c1F ZINC000813193081 1136302049 /nfs/dbraw/zinc/30/20/49/1136302049.db2.gz BGIIMNZLGGEJQT-SNVBAGLBSA-N -1 0 347.427 3.541 20 0 EHADRM O=S(=O)([N-]c1ccc2nc(C(F)(F)F)ccc2c1)C(F)(F)F ZINC001252354812 1136302450 /nfs/dbraw/zinc/30/24/50/1136302450.db2.gz BKZIJMONNFPKTB-UHFFFAOYSA-N -1 0 344.236 3.515 20 0 EHADRM O=C(C=C1CCC1)O[C@H]1C[C@H]([N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000851174711 1136346037 /nfs/dbraw/zinc/34/60/37/1136346037.db2.gz AKYHALZPLJAFER-KBPBESRZSA-N -1 0 339.313 3.505 20 0 EHADRM O=C(N[C@H](CCO)c1ccc(Cl)cc1)c1cccc(Cl)c1[O-] ZINC000813692321 1136356623 /nfs/dbraw/zinc/35/66/23/1136356623.db2.gz GTCQGEHRINMYJO-CQSZACIVSA-N -1 0 340.206 3.553 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1coc2ccccc12 ZINC000814016880 1136386540 /nfs/dbraw/zinc/38/65/40/1136386540.db2.gz SPZANAUJQOCNCK-QGZVFWFLSA-N -1 0 343.404 3.644 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1sccc1C1CC1 ZINC000814017027 1136386808 /nfs/dbraw/zinc/38/68/08/1136386808.db2.gz RSJAWTZRMUKWLR-OAHLLOKOSA-N -1 0 349.477 3.836 20 0 EHADRM Cc1ccc([C@H](NC(=O)c2ccc(/C=C/C(=O)[O-])o2)C2CC2)cc1 ZINC000851594108 1136394922 /nfs/dbraw/zinc/39/49/22/1136394922.db2.gz GJNNQBBCKAMNAI-CKDFRHGISA-N -1 0 325.364 3.567 20 0 EHADRM O=C([O-])[C@@H](NC(=O)C1CC2(C1)CCCCC2)c1cc(F)ccc1F ZINC000851595354 1136395532 /nfs/dbraw/zinc/39/55/32/1136395532.db2.gz GWJRUGIVJUDLGP-HNNXBMFYSA-N -1 0 337.366 3.567 20 0 EHADRM CCCN(Cc1ccc(C)cc1)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851601514 1136395859 /nfs/dbraw/zinc/39/58/59/1136395859.db2.gz LKYJGJLGWMMTKH-PKNBQFBNSA-N -1 0 327.380 3.738 20 0 EHADRM Cc1ccc2c(c1)scc2C(=O)N1CC2(CCC2)[C@](F)(C(=O)[O-])C1 ZINC000851614105 1136396063 /nfs/dbraw/zinc/39/60/63/1136396063.db2.gz KQQIACGETVLANR-GOSISDBHSA-N -1 0 347.411 3.629 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000851624436 1136396847 /nfs/dbraw/zinc/39/68/47/1136396847.db2.gz DGJJWUJUKXOHNB-XJKSGUPXSA-N -1 0 344.238 3.686 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)CC[C@H]2CC2(Cl)Cl)c1 ZINC000851695739 1136399649 /nfs/dbraw/zinc/39/96/49/1136399649.db2.gz JWUFTXUVZMGPKW-NSHDSACASA-N -1 0 330.211 3.616 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3nnc(C)o3)cc2)s1 ZINC000814211766 1136422346 /nfs/dbraw/zinc/42/23/46/1136422346.db2.gz PGWXTFKMNKLJSH-UHFFFAOYSA-N -1 0 349.437 3.524 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccnn2C2CCCCC2)s1 ZINC000814210584 1136422573 /nfs/dbraw/zinc/42/25/73/1136422573.db2.gz HDBQSMQXRLQJLK-UHFFFAOYSA-N -1 0 339.486 3.867 20 0 EHADRM CCC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cc(C)oc1C ZINC000776560066 1136428649 /nfs/dbraw/zinc/42/86/49/1136428649.db2.gz GJBBNBHUNHDSOP-HNNXBMFYSA-N -1 0 341.473 3.698 20 0 EHADRM CC[C@H](c1nnc(NC([O-])=NOCC2CC2)s1)c1ccccc1 ZINC000814634080 1136483044 /nfs/dbraw/zinc/48/30/44/1136483044.db2.gz ODISJRWDARVVTQ-ZDUSSCGKSA-N -1 0 332.429 3.543 20 0 EHADRM C[C@@H](NC(=O)C1(C(=O)[O-])CCCCCC1)c1nc2ccccc2s1 ZINC000852947354 1136493810 /nfs/dbraw/zinc/49/38/10/1136493810.db2.gz MOHQPYJYVHMQJP-GFCCVEGCSA-N -1 0 346.452 3.899 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc2)nc1 ZINC000852950456 1136494324 /nfs/dbraw/zinc/49/43/24/1136494324.db2.gz KVPQAWKKMHFKMR-INIZCTEOSA-N -1 0 342.395 3.868 20 0 EHADRM COc1ccc(C(C)(C)C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)cc1 ZINC000776632361 1136494375 /nfs/dbraw/zinc/49/43/75/1136494375.db2.gz ULOLOGJTLVWWGX-MLPAPPSSSA-N -1 0 339.391 3.709 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc2cc(OC)c(OC)cc2c1 ZINC000852957583 1136494504 /nfs/dbraw/zinc/49/45/04/1136494504.db2.gz XKZWYOMOYSUTSO-UHFFFAOYSA-N -1 0 345.395 3.687 20 0 EHADRM Cc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2F)c(C)s1 ZINC000776656357 1136528351 /nfs/dbraw/zinc/52/83/51/1136528351.db2.gz BUGZRODSMMFJFG-CQSZACIVSA-N -1 0 339.363 3.589 20 0 EHADRM CCc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc([O-])c(Cl)c1 ZINC000854607290 1136631615 /nfs/dbraw/zinc/63/16/15/1136631615.db2.gz RXKCTBOERVROQJ-LLVKDONJSA-N -1 0 347.798 3.792 20 0 EHADRM CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1ccc(-c2ccccc2)cc1C ZINC000815710978 1136631788 /nfs/dbraw/zinc/63/17/88/1136631788.db2.gz AOACEIDDNMRQJA-CQSZACIVSA-N -1 0 340.423 3.694 20 0 EHADRM C[C@H](C(=O)Nc1ccc2[n-]c(=S)oc2c1)c1ccc2c(c1)OCO2 ZINC000815814977 1136639971 /nfs/dbraw/zinc/63/99/71/1136639971.db2.gz FXIOPUAJKJEYFD-VIFPVBQESA-N -1 0 342.376 3.587 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1ccccc1NC(=O)C1CC1 ZINC000815877883 1136644683 /nfs/dbraw/zinc/64/46/83/1136644683.db2.gz KRGZSEFZGHHGOX-UHFFFAOYSA-N -1 0 330.771 3.646 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)NCCCC2CCCC2)n1 ZINC001135388801 1136677942 /nfs/dbraw/zinc/67/79/42/1136677942.db2.gz NYFITYPDWSRJGA-UHFFFAOYSA-N -1 0 341.455 3.841 20 0 EHADRM CC(C)Cc1nsc([N-]C(=O)c2snc(Cl)c2Cl)n1 ZINC000855706978 1136720081 /nfs/dbraw/zinc/72/00/81/1136720081.db2.gz DLXAONBSWAKDNU-UHFFFAOYSA-N -1 0 337.257 3.752 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000113696741 1136734347 /nfs/dbraw/zinc/73/43/47/1136734347.db2.gz QXPNMDYWMGDJSA-ZWKOTPCHSA-N -1 0 345.464 3.578 20 0 EHADRM CCn1ncc2ccc(NC(=O)c3ccc4oc(=S)[n-]c4c3)cc21 ZINC000816910637 1136765185 /nfs/dbraw/zinc/76/51/85/1136765185.db2.gz NPFRGMKHFXMMBT-UHFFFAOYSA-N -1 0 338.392 3.738 20 0 EHADRM Cc1ccc(NC(=O)c2cc(Br)c(F)cc2[O-])c(O)c1 ZINC001135745504 1136765384 /nfs/dbraw/zinc/76/53/84/1136765384.db2.gz XYPHCNYJMMMXBY-UHFFFAOYSA-N -1 0 340.148 3.560 20 0 EHADRM CCOCc1cccc(NC(=O)c2ccc3oc(=S)[n-]c3c2)c1 ZINC000816916195 1136765878 /nfs/dbraw/zinc/76/58/78/1136765878.db2.gz YPRPMRQEMBBHGS-UHFFFAOYSA-N -1 0 328.393 3.905 20 0 EHADRM CCCN(C)c1ccc(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1 ZINC000856721609 1136802924 /nfs/dbraw/zinc/80/29/24/1136802924.db2.gz BGHDCCKIMBNCDZ-UHFFFAOYSA-N -1 0 344.386 3.551 20 0 EHADRM C[C@@H](c1ccc(C(=O)N[C@H](CC(C)(C)C)C(=O)[O-])cc1)C(F)(F)F ZINC000856723035 1136803098 /nfs/dbraw/zinc/80/30/98/1136803098.db2.gz VJJBJMHRLQPKOO-GXFFZTMASA-N -1 0 345.361 3.972 20 0 EHADRM O=C([O-])[C@]12CN(C(=O)/C=C\c3ccc(Cl)s3)C[C@H]1CCCC2 ZINC000856994385 1136831115 /nfs/dbraw/zinc/83/11/15/1136831115.db2.gz NKOQDKWHNMEVCG-CDRHBEHLSA-N -1 0 339.844 3.518 20 0 EHADRM Cc1cc(C)c(/C=C\C(=O)N[C@@H](C)c2ncc(C(=O)[O-])s2)cc1C ZINC000856993153 1136831123 /nfs/dbraw/zinc/83/11/23/1136831123.db2.gz LDYDEQKMVKZGAG-SZZPACECSA-N -1 0 344.436 3.657 20 0 EHADRM CCCCC(=O)[N-]S(=O)(=O)c1ccc(OCCC)c(C(C)C)c1 ZINC000857050050 1136837161 /nfs/dbraw/zinc/83/71/61/1136837161.db2.gz DTISAWYXZHVYCN-UHFFFAOYSA-N -1 0 341.473 3.594 20 0 EHADRM O=C(Nc1cccc(-n2cccc2)c1)c1ncc2ccccc2c1[O-] ZINC001136162107 1136888848 /nfs/dbraw/zinc/88/88/48/1136888848.db2.gz GDVRHTLVKNCJDQ-UHFFFAOYSA-N -1 0 329.359 3.983 20 0 EHADRM O=C(Nc1ccccc1-n1cccn1)c1ccc2oc(=S)[n-]c2c1 ZINC001136191781 1136912294 /nfs/dbraw/zinc/91/22/94/1136912294.db2.gz ASKSMHRJGRNFLB-UHFFFAOYSA-N -1 0 336.376 3.555 20 0 EHADRM C[C@@H](c1noc(-c2ccc(C[N-]C(=O)C(F)(F)F)o2)n1)C(C)(C)C ZINC000858702836 1136987564 /nfs/dbraw/zinc/98/75/64/1136987564.db2.gz IUBMLFMDASVNPM-QMMMGPOBSA-N -1 0 345.321 3.658 20 0 EHADRM CC(=Cc1ccc(F)cc1)C(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000820465534 1136994080 /nfs/dbraw/zinc/99/40/80/1136994080.db2.gz MXLJPOCTSXXUAU-VAWYXSNFSA-N -1 0 337.354 3.963 20 0 EHADRM CCCCN(C(=O)Cc1cc(=O)n(CC(C)C)[n-]1)[C@H]1CCC[C@@H](C)C1 ZINC000820708835 1137002392 /nfs/dbraw/zinc/00/23/92/1137002392.db2.gz XMQXFSDLDSKZJW-AEFFLSMTSA-N -1 0 349.519 3.582 20 0 EHADRM C[C@H]([N-]C(=O)C(F)(F)F)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000859177227 1137006646 /nfs/dbraw/zinc/00/66/46/1137006646.db2.gz ZDVJUSHFHBLVRO-BYPYZUCNSA-N -1 0 326.105 3.609 20 0 EHADRM CCCN(C(=O)Nc1cc(Cl)c(N)c(Cl)c1)[C@H](CC)C(=O)[O-] ZINC000797748630 1137019953 /nfs/dbraw/zinc/01/99/53/1137019953.db2.gz QCMYKDOXJNVWHA-LLVKDONJSA-N -1 0 348.230 3.683 20 0 EHADRM CCSc1nc(C)c([C@H](CC)C(=O)[N-]O[C@H]2CCCCO2)s1 ZINC001136459844 1137031123 /nfs/dbraw/zinc/03/11/23/1137031123.db2.gz ISOISGVLLWEZQJ-RYUDHWBXSA-N -1 0 344.502 3.632 20 0 EHADRM C[C@@H](N(C)C(=O)c1cc(Br)cc(F)c1[O-])C(C)(C)C ZINC001136492035 1137036424 /nfs/dbraw/zinc/03/64/24/1137036424.db2.gz OMJRPBMZPNHJPE-MRVPVSSYSA-N -1 0 332.213 3.800 20 0 EHADRM CCCC[C@@H](NC(=O)/C=C\c1ccc2cc(OC)ccc2c1)C(=O)[O-] ZINC000821748574 1137037362 /nfs/dbraw/zinc/03/73/62/1137037362.db2.gz SLXNOANAFIDKJP-RLGIIYIFSA-N -1 0 341.407 3.621 20 0 EHADRM O=C(CC[C@@H]1CC1(Cl)Cl)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1 ZINC000821826147 1137039219 /nfs/dbraw/zinc/03/92/19/1137039219.db2.gz DFHWHBDCLQDSNN-SNVBAGLBSA-N -1 0 340.210 3.695 20 0 EHADRM [O-]C(=NOCC1CCC1)Nc1nc(-c2cccc(Cl)c2)ns1 ZINC000822557369 1137064890 /nfs/dbraw/zinc/06/48/90/1137064890.db2.gz HNZSLKMODSVDRQ-UHFFFAOYSA-N -1 0 338.820 3.712 20 0 EHADRM O=C([N-]OCCC(F)(F)F)C1(c2cc(F)cc(F)c2)CCCC1 ZINC000860995290 1137087179 /nfs/dbraw/zinc/08/71/79/1137087179.db2.gz NCQQWUFFLMKMNM-UHFFFAOYSA-N -1 0 337.288 3.777 20 0 EHADRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)NCCCCC(C)(C)C)n2)c1 ZINC001136720597 1137099380 /nfs/dbraw/zinc/09/93/80/1137099380.db2.gz VRNWDXRYKUTLQR-UHFFFAOYSA-N -1 0 347.434 3.972 20 0 EHADRM CC[C@@H](C(=O)[N-]OC/C=C/Cl)c1ccc(Br)cc1 ZINC000861782646 1137120661 /nfs/dbraw/zinc/12/06/61/1137120661.db2.gz GTRDXMYNTSKBLC-STWLFGJUSA-N -1 0 332.625 3.743 20 0 EHADRM O=C([N-]OCC1CCC1)C(=O)Nc1cccc(C2CCCCC2)c1 ZINC000861910934 1137124414 /nfs/dbraw/zinc/12/44/14/1137124414.db2.gz DNJMTGCYERUNRK-UHFFFAOYSA-N -1 0 330.428 3.521 20 0 EHADRM O=C(Nc1ccnn1C1CCCC1)c1ccc2oc(=S)[n-]c2c1 ZINC000825412730 1137177272 /nfs/dbraw/zinc/17/72/72/1137177272.db2.gz NJTRTOLSCKRSAY-UHFFFAOYSA-N -1 0 328.397 3.680 20 0 EHADRM CCCOc1ccc([N-]S(=O)(=O)c2ccccc2OC)cc1C ZINC000863428596 1137186055 /nfs/dbraw/zinc/18/60/55/1137186055.db2.gz KVLWXKMSZOOUSI-UHFFFAOYSA-N -1 0 335.425 3.593 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)c1oc2ccccc2c1CSC)C(=O)[O-] ZINC000844157944 1137202522 /nfs/dbraw/zinc/20/25/22/1137202522.db2.gz MAPXZTOGXRVAPD-BXUZGUMPSA-N -1 0 349.452 3.915 20 0 EHADRM Cc1nc(N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc(C(F)(F)F)n1 ZINC000844218334 1137203430 /nfs/dbraw/zinc/20/34/30/1137203430.db2.gz KRBTUQBHLKXJPL-RYUDHWBXSA-N -1 0 337.301 3.529 20 0 EHADRM CC(C)c1cc(Br)ccc1NC(=O)[C@H](C(=O)[O-])C(C)C ZINC000844225213 1137203700 /nfs/dbraw/zinc/20/37/00/1137203700.db2.gz YLZNNKFHNJUOMN-CYBMUJFWSA-N -1 0 342.233 3.868 20 0 EHADRM O=C([O-])C1(CC(=O)NCCC[C@@H]2CC2(Cl)Cl)CCCCC1 ZINC000844267845 1137207562 /nfs/dbraw/zinc/20/75/62/1137207562.db2.gz KZKLEFPNPNPWFQ-LLVKDONJSA-N -1 0 336.259 3.502 20 0 EHADRM CC(C)c1csc(S([O-])=CC(=O)NC2CCCCCCC2)n1 ZINC000844288370 1137209556 /nfs/dbraw/zinc/20/95/56/1137209556.db2.gz RGFOCCFTNLXXNI-JOCHJYFZSA-N -1 0 342.530 3.603 20 0 EHADRM O=C([O-])CC1CCN(C(=O)CCc2ccc(F)c3ccccc23)CC1 ZINC000864099080 1137214663 /nfs/dbraw/zinc/21/46/63/1137214663.db2.gz AMXYFFWYVDDMBN-UHFFFAOYSA-N -1 0 343.398 3.625 20 0 EHADRM CC(C)C[C@H](NC(=O)/C=C/c1cc(C(=O)[O-])co1)c1cccs1 ZINC000864106175 1137215220 /nfs/dbraw/zinc/21/52/20/1137215220.db2.gz XWMXKQDMAHEMKS-GJBLVYBDSA-N -1 0 333.409 3.956 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N2CCCC[C@@H]2Cc2ccccc2)o1 ZINC000864107419 1137215565 /nfs/dbraw/zinc/21/55/65/1137215565.db2.gz IJWGSTUMLUYRDV-YBHKSSGVSA-N -1 0 339.391 3.615 20 0 EHADRM O=C([O-])CCCCCNC(=O)/C=C\c1ccsc1C(F)(F)F ZINC000864119558 1137216050 /nfs/dbraw/zinc/21/60/50/1137216050.db2.gz HFCMIRMLJIMTHZ-WAYWQWQTSA-N -1 0 335.347 3.541 20 0 EHADRM CCCN(Cc1ccc(C)cc1)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000864125656 1137216280 /nfs/dbraw/zinc/21/62/80/1137216280.db2.gz ZKMCSOXEJKTTKS-PKNBQFBNSA-N -1 0 327.380 3.738 20 0 EHADRM CCCN(Cc1ccc(C)cc1)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000864125655 1137216313 /nfs/dbraw/zinc/21/63/13/1137216313.db2.gz ZKMCSOXEJKTTKS-LUAWRHEFSA-N -1 0 327.380 3.738 20 0 EHADRM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000864123376 1137216315 /nfs/dbraw/zinc/21/63/15/1137216315.db2.gz NDFDYQUZMKQONK-MSQAHXEGSA-N -1 0 333.453 3.625 20 0 EHADRM C[C@@H](CCc1ccc(F)cc1)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000864132421 1137216644 /nfs/dbraw/zinc/21/66/44/1137216644.db2.gz SMQZPORJXZLNEG-WMLDXEAASA-N -1 0 335.419 3.640 20 0 EHADRM Cc1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1C(F)(F)F ZINC000864132367 1137216655 /nfs/dbraw/zinc/21/66/55/1137216655.db2.gz QQSJBGCABQNJEK-CYBMUJFWSA-N -1 0 343.345 3.873 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)CCc1cccc2ccccc21 ZINC000864156298 1137217402 /nfs/dbraw/zinc/21/74/02/1137217402.db2.gz SOUBOFZBMFDDNA-YLJYHZDGSA-N -1 0 325.408 3.532 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)CCc1cccc2ccccc21 ZINC000864156285 1137217463 /nfs/dbraw/zinc/21/74/63/1137217463.db2.gz SOUBOFZBMFDDNA-FXAWDEMLSA-N -1 0 325.408 3.532 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)/C=C/c2ccc(Cl)s2)[C@@H]2CCC[C@@H]21 ZINC000864174515 1137217805 /nfs/dbraw/zinc/21/78/05/1137217805.db2.gz GJGVPFVHUGJSOR-AIIKUZRDSA-N -1 0 339.844 3.517 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000864188045 1137218372 /nfs/dbraw/zinc/21/83/72/1137218372.db2.gz BZLPNNAYESZZOW-ZAHGZRRWSA-N -1 0 341.407 3.765 20 0 EHADRM CC(C)(C)c1ccc(CCC(=O)NCc2cc(C(=O)[O-])co2)cc1 ZINC000864191853 1137218641 /nfs/dbraw/zinc/21/86/41/1137218641.db2.gz OIAXXXNTKDGVJT-UHFFFAOYSA-N -1 0 329.396 3.524 20 0 EHADRM Cc1ccc(C[C@]2(C)CCCN2C(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000864195120 1137218702 /nfs/dbraw/zinc/21/87/02/1137218702.db2.gz YJUIEJDUDOQWFQ-NGICGMGXSA-N -1 0 343.467 3.810 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)NCc2cc(C(=O)[O-])co2)cc1 ZINC000864193933 1137218707 /nfs/dbraw/zinc/21/87/07/1137218707.db2.gz XCRXROVZLAIXGV-ZDUSSCGKSA-N -1 0 329.396 3.911 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N2CCC[C@@](F)(c3ccccc3)C2)CC1 ZINC000864202232 1137218833 /nfs/dbraw/zinc/21/88/33/1137218833.db2.gz PYMXKAFIJVFVBI-PMTKGXAQSA-N -1 0 347.430 3.755 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)c1cccc(Oc2ccccc2)c1)C1CC1 ZINC000864198391 1137218987 /nfs/dbraw/zinc/21/89/87/1137218987.db2.gz USXRUUVVLMKECX-HXUWFJFHSA-N -1 0 339.391 3.852 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)Cc2ccc(Cl)s2)c2ccccc21 ZINC000864226757 1137219363 /nfs/dbraw/zinc/21/93/63/1137219363.db2.gz PWBOFKROJDLURQ-SNVBAGLBSA-N -1 0 335.812 3.549 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)CCCc2cccs2)c1 ZINC000864230053 1137219485 /nfs/dbraw/zinc/21/94/85/1137219485.db2.gz ZLDLUDSJPFVQEC-MRXNPFEDSA-N -1 0 331.437 3.711 20 0 EHADRM Cc1ncc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(C)c2)s1 ZINC000339071217 1137248570 /nfs/dbraw/zinc/24/85/70/1137248570.db2.gz BGMDCDZSTGIXDW-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM O=S(=O)([N-]c1cc(C(F)(F)F)ccn1)c1cc2ccccc2o1 ZINC000543716796 1137263657 /nfs/dbraw/zinc/26/36/57/1137263657.db2.gz KRIBIDYPLCHVJZ-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM COC(=O)c1cccc([C@@H]2CCCN2Cc2c(F)cc(O)cc2F)c1 ZINC001144567562 1137311430 /nfs/dbraw/zinc/31/14/30/1137311430.db2.gz RLYHPGZFWGVZBV-SFHVURJKSA-N -1 0 347.361 3.794 20 0 EHADRM C[C@H](c1ccccc1)[NH+]1CCN(Cc2cc(F)c([O-])cc2F)CC1 ZINC001144657895 1137323745 /nfs/dbraw/zinc/32/37/45/1137323745.db2.gz MGFVLRLKFKEBBH-CQSZACIVSA-N -1 0 332.394 3.549 20 0 EHADRM C[C@@H](C(=O)NCCCCCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000846118359 1137334169 /nfs/dbraw/zinc/33/41/69/1137334169.db2.gz MSVGQRKSIRTIBT-CYBMUJFWSA-N -1 0 325.836 3.985 20 0 EHADRM O=C(c1ccc(C(F)(F)F)cc1O)N1CCC[C@]2(CC2(F)F)C1 ZINC000846579608 1137357508 /nfs/dbraw/zinc/35/75/08/1137357508.db2.gz VTDFVUJQVJKJTA-ZDUSSCGKSA-N -1 0 335.272 3.672 20 0 EHADRM O=C(CCSCc1ccccn1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000121135159 1137368009 /nfs/dbraw/zinc/36/80/09/1137368009.db2.gz KBPHPOQDZVZBPQ-UHFFFAOYSA-N -1 0 345.449 3.774 20 0 EHADRM COC(=O)c1ccc(Cl)c(/C=C\c2ncc(/C=C/C(=O)[O-])s2)c1 ZINC000794940995 1137373656 /nfs/dbraw/zinc/37/36/56/1137373656.db2.gz HSRFSIJGCSCZFD-UCZKPGLMSA-N -1 0 349.795 3.851 20 0 EHADRM CCC(F)(F)C(=O)[N-][C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000846937899 1137376712 /nfs/dbraw/zinc/37/67/12/1137376712.db2.gz LUFPATAPIJLIMQ-SNVBAGLBSA-N -1 0 345.695 3.554 20 0 EHADRM CC(C)(C)Cc1nc2cc(NC(=O)c3ncccc3[O-])ccc2o1 ZINC001145034895 1137382681 /nfs/dbraw/zinc/38/26/81/1137382681.db2.gz SEFCIAGZLAGSHT-UHFFFAOYSA-N -1 0 325.368 3.769 20 0 EHADRM Cc1cc(C=O)c([O-])c(C(=O)Nc2ccc(F)cc2OCC2CC2)c1 ZINC001147256952 1137403065 /nfs/dbraw/zinc/40/30/65/1137403065.db2.gz PUFMAUIEBDOUMT-UHFFFAOYSA-N -1 0 343.354 3.693 20 0 EHADRM C[C@H](Sc1ccc(Br)cc1)C(=O)[N-]OCC1CCC1 ZINC001148108024 1137417851 /nfs/dbraw/zinc/41/78/51/1137417851.db2.gz YCIUPEYAXYRASH-JTQLQIEISA-N -1 0 344.274 3.778 20 0 EHADRM COc1cncc(NC(=O)c2cc(Cl)cc(Cl)c2[O-])c1C ZINC001148805387 1137435240 /nfs/dbraw/zinc/43/52/40/1137435240.db2.gz JLBVYCKLGJBSJN-UHFFFAOYSA-N -1 0 327.167 3.663 20 0 EHADRM CC1(C)CN(C(=O)c2ccc3[n-]c(=S)oc3c2)[C@H]1c1ccco1 ZINC000869788236 1137466126 /nfs/dbraw/zinc/46/61/26/1137466126.db2.gz NYZIQMWZIYQDMP-AWEZNQCLSA-N -1 0 328.393 3.933 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCC(Cc2nccs2)CC1 ZINC000870266903 1137484758 /nfs/dbraw/zinc/48/47/58/1137484758.db2.gz ZHOVUDHWKUNKGH-UHFFFAOYSA-N -1 0 336.844 3.597 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)Nc3cccc(F)c3O)c([O-])c2)o1 ZINC001171636303 1137504418 /nfs/dbraw/zinc/50/44/18/1137504418.db2.gz GBLJEHJLTNFFDD-UHFFFAOYSA-N -1 0 341.294 3.562 20 0 EHADRM CCCOc1c(F)cc(F)c(-n2[n-]c(=O)c3cc(N)ccc32)c1F ZINC001212649154 1137544321 /nfs/dbraw/zinc/54/43/21/1137544321.db2.gz RGVFBFZIIFNKNR-UHFFFAOYSA-N -1 0 337.301 3.519 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)[O-])cc1-c1ccsc1 ZINC000871613801 1137549193 /nfs/dbraw/zinc/54/91/93/1137549193.db2.gz AJXYIYTZVKZRTJ-HNNXBMFYSA-N -1 0 330.409 3.804 20 0 EHADRM O=C([O-])Cc1csc(CNCc2ccc(C3CCCC3)cc2)n1 ZINC000871881378 1137562323 /nfs/dbraw/zinc/56/23/23/1137562323.db2.gz RUNSUDCKEJHTCB-UHFFFAOYSA-N -1 0 330.453 3.718 20 0 EHADRM CC(C)[C@@H]1CCc2[n-]n(-c3nc4cc(F)c(F)cc4[nH]3)c(=O)c2C1 ZINC000871942832 1137563595 /nfs/dbraw/zinc/56/35/95/1137563595.db2.gz OYWMYGYGDCPQGQ-NXEZZACHSA-N -1 0 332.354 3.616 20 0 EHADRM O=c1cc(-c2cccc(Cl)c2)[n-]n1[C@H]1CCOC2(CCCC2)C1 ZINC000871964672 1137563810 /nfs/dbraw/zinc/56/38/10/1137563810.db2.gz WXUFMMDSKLTBMQ-HNNXBMFYSA-N -1 0 332.831 3.768 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(F)c(C(F)F)c2)on1 ZINC000872003374 1137564283 /nfs/dbraw/zinc/56/42/83/1137564283.db2.gz ORHVWRPSIUGCJQ-UHFFFAOYSA-N -1 0 348.346 3.850 20 0 EHADRM Cc1c([N-]S(=O)(=O)Cc2ccc(F)cc2F)noc1C(C)(C)C ZINC000872007284 1137564327 /nfs/dbraw/zinc/56/43/27/1137564327.db2.gz NWCTZLRZQPKBET-UHFFFAOYSA-N -1 0 344.383 3.501 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(C)c(F)c2)noc1C(C)(C)C ZINC000872006948 1137564334 /nfs/dbraw/zinc/56/43/34/1137564334.db2.gz CKZVIVLDAQFMOU-UHFFFAOYSA-N -1 0 326.393 3.529 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(Cl)s2)noc1C(C)(C)C ZINC000872007275 1137564391 /nfs/dbraw/zinc/56/43/91/1137564391.db2.gz NLPZELQTURFGCS-UHFFFAOYSA-N -1 0 334.850 3.796 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cc(F)ccc2Cl)noc1C(C)(C)C ZINC000872007683 1137564431 /nfs/dbraw/zinc/56/44/31/1137564431.db2.gz XZURVRZMVZVULE-UHFFFAOYSA-N -1 0 346.811 3.874 20 0 EHADRM CN(Cc1cc(C(=O)[O-])cs1)Cc1nc(C(F)(F)F)cs1 ZINC000872159154 1137574406 /nfs/dbraw/zinc/57/44/06/1137574406.db2.gz OTCKOSBFKJHBRM-UHFFFAOYSA-N -1 0 336.360 3.554 20 0 EHADRM COc1ccccc1-c1nc(CN(CC(=O)[O-])C2CCCCC2)co1 ZINC000872161050 1137574619 /nfs/dbraw/zinc/57/46/19/1137574619.db2.gz RKHFDMUPIBFMQQ-UHFFFAOYSA-N -1 0 344.411 3.570 20 0 EHADRM CCC(F)(F)c1ccccc1[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000872409607 1137579590 /nfs/dbraw/zinc/57/95/90/1137579590.db2.gz CSKIIXMKNFYSMN-UHFFFAOYSA-N -1 0 343.399 3.836 20 0 EHADRM CC1(C(=O)NCc2c3ccccc3sc2C(=O)[O-])CC(F)(F)C1 ZINC000872713579 1137583035 /nfs/dbraw/zinc/58/30/35/1137583035.db2.gz HQFVNNLPXQTNMM-UHFFFAOYSA-N -1 0 339.363 3.651 20 0 EHADRM Cc1ncc(C(F)(F)F)cc1C(=O)NCCCCCCCC(=O)[O-] ZINC000872718413 1137583153 /nfs/dbraw/zinc/58/31/53/1137583153.db2.gz QVOCHOPBMLIAHJ-UHFFFAOYSA-N -1 0 346.349 3.564 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC000872739569 1137583615 /nfs/dbraw/zinc/58/36/15/1137583615.db2.gz JNEQQTUHUQSSHU-AKHDSKFASA-N -1 0 343.467 3.666 20 0 EHADRM CC[C@@H](NC(=O)C(C)(C)SCC(=O)[O-])c1ccc(Cl)cc1 ZINC000872889971 1137586105 /nfs/dbraw/zinc/58/61/05/1137586105.db2.gz OPNUGQHEEDDFSU-GFCCVEGCSA-N -1 0 329.849 3.504 20 0 EHADRM Cc1cc([C@H]2CCCN2C(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)no1 ZINC000872899952 1137586276 /nfs/dbraw/zinc/58/62/76/1137586276.db2.gz QGHMKGADRGTPQU-APWZRJJASA-N -1 0 348.443 3.708 20 0 EHADRM CCN(C(=O)C1=C(C(=O)[O-])CCCC1)[C@@H](C)c1cccc(OC)c1 ZINC000872904528 1137586410 /nfs/dbraw/zinc/58/64/10/1137586410.db2.gz GPNJJLMEPJDEIW-ZDUSSCGKSA-N -1 0 331.412 3.560 20 0 EHADRM CC(C)n1cc2cc(NC(=O)CC3(CC(=O)[O-])CCC3)ccc2n1 ZINC000872935319 1137586664 /nfs/dbraw/zinc/58/66/64/1137586664.db2.gz RMVSBGXVIWHQKY-UHFFFAOYSA-N -1 0 329.400 3.591 20 0 EHADRM CC(C)Nc1ccc(Cl)cc1NC(=O)C(C)(C)SCC(=O)[O-] ZINC000872980601 1137587404 /nfs/dbraw/zinc/58/74/04/1137587404.db2.gz BYSNFFREYPERHG-UHFFFAOYSA-N -1 0 344.864 3.695 20 0 EHADRM CCC(CC)(CC(=O)Nc1ccc(C(=O)C(F)(F)F)cc1)C(=O)[O-] ZINC000872994201 1137587615 /nfs/dbraw/zinc/58/76/15/1137587615.db2.gz BLBRCWADIMBEFW-UHFFFAOYSA-N -1 0 345.317 3.651 20 0 EHADRM O=C([O-])CC1(CC(=O)NCc2ccc(C(F)(F)F)s2)CCCC1 ZINC000873004842 1137587827 /nfs/dbraw/zinc/58/78/27/1137587827.db2.gz XIUYONWHPYARPC-UHFFFAOYSA-N -1 0 349.374 3.808 20 0 EHADRM O=S(=O)(/C=C/c1ccccc1)[N-]c1cc(Cl)cc(Cl)n1 ZINC001252957329 1137637299 /nfs/dbraw/zinc/63/72/99/1137637299.db2.gz ALLDRMDHKBATOY-VOTSOKGWSA-N -1 0 329.208 3.801 20 0 EHADRM Cc1c(Cl)ccc2c1CN(Cc1nc(=O)c3sccc3[n-]1)CC2 ZINC000879768602 1137758356 /nfs/dbraw/zinc/75/83/56/1137758356.db2.gz DNZDVLGDBMMUII-UHFFFAOYSA-N -1 0 345.855 3.917 20 0 EHADRM O=S(=O)(CCC1Cc2ccccc2C1)[N-]c1ncsc1C1CC1 ZINC000882772022 1137833949 /nfs/dbraw/zinc/83/39/49/1137833949.db2.gz CVZANWSXGYSAEY-UHFFFAOYSA-N -1 0 348.493 3.567 20 0 EHADRM CCC(C)(CC)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000131691685 1137859248 /nfs/dbraw/zinc/85/92/48/1137859248.db2.gz DGASYHMKVFAPGB-UHFFFAOYSA-N -1 0 338.256 3.625 20 0 EHADRM CC1=C(C(=O)Nc2cc(Cl)cc(Br)c2[O-])CCCO1 ZINC000132580424 1137867485 /nfs/dbraw/zinc/86/74/85/1137867485.db2.gz VGDBAUMDGJKVPI-UHFFFAOYSA-N -1 0 346.608 3.831 20 0 EHADRM CC(C(=O)N(C(C)C)C(C)C)=S([O-])c1ccc2ccccc2c1 ZINC000108007830 1137888511 /nfs/dbraw/zinc/88/85/11/1137888511.db2.gz FAUNMXSSEYDLRN-CMJOXMDJSA-N -1 0 331.481 3.981 20 0 EHADRM Cc1cccc(S([O-])=CC(=O)N(Cc2ccccc2)C(C)C)c1 ZINC000108103031 1137888712 /nfs/dbraw/zinc/88/87/12/1137888712.db2.gz OZHDMFLADCZGQP-HSZRJFAPSA-N -1 0 329.465 3.540 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)N2CCC[C@H]2c2cccc(F)c2)s[n-]1 ZINC000331567879 1137912838 /nfs/dbraw/zinc/91/28/38/1137912838.db2.gz QLIJBCVRDXXSII-ZDUSSCGKSA-N -1 0 348.447 3.766 20 0 EHADRM CCC(C)(C)[C@H]1CCCN1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000332155984 1137933922 /nfs/dbraw/zinc/93/39/22/1137933922.db2.gz PVTQJTOBIOMSGW-MRXNPFEDSA-N -1 0 345.418 3.758 20 0 EHADRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N(C)[C@H]3CCCC[C@@H]3C)n2)c1 ZINC000332645378 1137950027 /nfs/dbraw/zinc/95/00/27/1137950027.db2.gz IQPCQEVAVSRBAQ-ZFWWWQNUSA-N -1 0 345.418 3.676 20 0 EHADRM CCN(C(=O)c1nn(-c2ccccc2)cc1[O-])[C@H]1CCCC[C@H]1C ZINC000332666854 1137950721 /nfs/dbraw/zinc/95/07/21/1137950721.db2.gz OLPBHLGUWPNMEC-ZBFHGGJFSA-N -1 0 327.428 3.619 20 0 EHADRM CCSCc1cccnc1[N-]S(=O)(=O)c1ccc(C)s1 ZINC000886444800 1138078530 /nfs/dbraw/zinc/07/85/30/1138078530.db2.gz KNTJLUINQJDSDF-UHFFFAOYSA-N -1 0 328.484 3.505 20 0 EHADRM C[C@@H](C1CC1)n1nccc1NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000073292502 1138112816 /nfs/dbraw/zinc/11/28/16/1138112816.db2.gz BFFCSARZGXPHCQ-VIFPVBQESA-N -1 0 328.397 3.910 20 0 EHADRM C[C@H](C(=O)[N-]Oc1ccccc1F)c1ccc(Br)cc1 ZINC001154215612 1138182457 /nfs/dbraw/zinc/18/24/57/1138182457.db2.gz KIHBSHOHUXVDAU-JTQLQIEISA-N -1 0 338.176 3.802 20 0 EHADRM CC(C)(NC(=O)CC1(C(=O)[O-])CCC1)c1ccc(C(F)(F)F)cc1 ZINC000887314935 1138262444 /nfs/dbraw/zinc/26/24/44/1138262444.db2.gz IRPLMZFFKWVPEH-UHFFFAOYSA-N -1 0 343.345 3.702 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000348414067 1138273497 /nfs/dbraw/zinc/27/34/97/1138273497.db2.gz UVPGFDHHKIWASH-CYBMUJFWSA-N -1 0 339.288 3.926 20 0 EHADRM O=C([O-])[C@@H](CC1CC1)NC(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC000887382294 1138294162 /nfs/dbraw/zinc/29/41/62/1138294162.db2.gz CLZPHTWZEZTADP-VXGBXAGGSA-N -1 0 348.296 3.634 20 0 EHADRM O=C([O-])CCCCNC(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1 ZINC000887394363 1138302117 /nfs/dbraw/zinc/30/21/17/1138302117.db2.gz ORWVAXUNLKDYDV-LBPRGKRZSA-N -1 0 336.285 3.636 20 0 EHADRM COc1ccc([C@@H]2CCN(C(=O)c3cc(F)cc(Cl)c3[O-])C2)cc1 ZINC000128928633 1138400542 /nfs/dbraw/zinc/40/05/42/1138400542.db2.gz ZUBDIFZHNOZMBL-GFCCVEGCSA-N -1 0 349.789 3.823 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N[C@@H]2C[C@@H]2c2ccccc2)s1 ZINC000336917676 1138427290 /nfs/dbraw/zinc/42/72/90/1138427290.db2.gz DAEUTSVNMIOBBA-ZIAGYGMSSA-N -1 0 330.457 3.541 20 0 EHADRM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1cccc(C2CCC2)c1 ZINC000336939191 1138431065 /nfs/dbraw/zinc/43/10/65/1138431065.db2.gz WRAKRDICCCCKHQ-UHFFFAOYSA-N -1 0 335.363 3.550 20 0 EHADRM COc1cncc(S(=O)(=O)[N-]c2ccccc2-c2cccs2)c1 ZINC000337126063 1138472169 /nfs/dbraw/zinc/47/21/69/1138472169.db2.gz FPELGNFLBAUTHI-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM CC(C)Sc1ccccc1[N-]S(=O)(=O)c1c[nH]c2ncccc12 ZINC000348445062 1138526544 /nfs/dbraw/zinc/52/65/44/1138526544.db2.gz PXKNHYJCSFWUGC-UHFFFAOYSA-N -1 0 347.465 3.864 20 0 EHADRM CCN(CC)C(=O)c1ccc(Nc2ccc([S-])c(OC)c2)cn1 ZINC001212827489 1138527026 /nfs/dbraw/zinc/52/70/26/1138527026.db2.gz SAYXYHPSLUIVOW-UHFFFAOYSA-N -1 0 331.441 3.605 20 0 EHADRM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000348447466 1138564748 /nfs/dbraw/zinc/56/47/48/1138564748.db2.gz VXVCYPLWKVLFPN-UHFFFAOYSA-N -1 0 341.310 3.959 20 0 EHADRM CCc1cc(=O)[nH]c(-c2cccc(NC(=O)C=CC(C)(C)C)c2)n1 ZINC000264606025 1138573855 /nfs/dbraw/zinc/57/38/55/1138573855.db2.gz GIIUVJOTRYTNRF-MDZDMXLPSA-N -1 0 325.412 3.952 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2C)cc1 ZINC000337792356 1138669185 /nfs/dbraw/zinc/66/91/85/1138669185.db2.gz BPLVEGHFJMHSPP-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2C)c1 ZINC000337854089 1138682488 /nfs/dbraw/zinc/68/24/88/1138682488.db2.gz KKOPHZVFIHBOHH-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM CO[C@@H](C)c1nc(=NCc2ccc(-c3ccco3)cc2F)s[n-]1 ZINC000337944434 1138703770 /nfs/dbraw/zinc/70/37/70/1138703770.db2.gz HETMTWSVOIFJKD-JTQLQIEISA-N -1 0 333.388 3.679 20 0 EHADRM CO[C@H](C)c1nc(=N[C@H](c2ccc(C)cc2)c2ccccn2)s[n-]1 ZINC000337945399 1138704069 /nfs/dbraw/zinc/70/40/69/1138704069.db2.gz RMLSKMOCFZDGAU-CZUORRHYSA-N -1 0 340.452 3.572 20 0 EHADRM Cc1nn(C)c(C)c1C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000338173490 1138774261 /nfs/dbraw/zinc/77/42/61/1138774261.db2.gz MLINATGDFSMLGU-UHFFFAOYSA-N -1 0 348.617 3.955 20 0 EHADRM CCc1nc2cc(CN=c3[n-]nc(C(C)C)s3)ccc2n1C1CC1 ZINC000338488041 1138938120 /nfs/dbraw/zinc/93/81/20/1138938120.db2.gz TVIVVDYMJWJJSM-UHFFFAOYSA-N -1 0 341.484 3.943 20 0 EHADRM O=C(c1cc2sccc2c(O)c1)N1CC[C@H](Cc2nccs2)C1 ZINC000890214165 1139325191 /nfs/dbraw/zinc/32/51/91/1139325191.db2.gz ADFGAQAOSZAIJI-LLVKDONJSA-N -1 0 344.461 3.768 20 0 EHADRM COc1ccc([C@@H](C)CCNC(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000180066014 1139806393 /nfs/dbraw/zinc/80/63/93/1139806393.db2.gz TWGNMKIVNXOTTO-NSHDSACASA-N -1 0 335.350 3.603 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 ZINC000777377439 1139934557 /nfs/dbraw/zinc/93/45/57/1139934557.db2.gz WLLSYCRFFQAWBX-PKVLTRFUSA-N -1 0 347.411 3.797 20 0 EHADRM O=C([N-]OC[C@@H]1CCOC1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000189240598 1140329920 /nfs/dbraw/zinc/32/99/20/1140329920.db2.gz IRFDFLCVQXWBKX-CRAIPNDOSA-N -1 0 343.448 3.604 20 0 EHADRM Cc1cc(=O)[nH]c([C@H](C)N[C@H](C)c2ccc(OCC3CC3)c(F)c2)n1 ZINC000192763055 1140549411 /nfs/dbraw/zinc/54/94/11/1140549411.db2.gz GJKWBVAMDZZNHE-OLZOCXBDSA-N -1 0 345.418 3.830 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(F)cc2C)cnn1C1CCCC1 ZINC000194229587 1140602293 /nfs/dbraw/zinc/60/22/93/1140602293.db2.gz NCXHRJXWAPWXSZ-UHFFFAOYSA-N -1 0 337.420 3.555 20 0 EHADRM CC[C@H](C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC000194491146 1140611652 /nfs/dbraw/zinc/61/16/52/1140611652.db2.gz XSNREKKBZDZSCS-YUTCNCBUSA-N -1 0 343.345 3.569 20 0 EHADRM CCn1nc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1C1CC1 ZINC000267500592 1140798111 /nfs/dbraw/zinc/79/81/11/1140798111.db2.gz YXPXSDISAVTMEJ-UHFFFAOYSA-N -1 0 341.436 3.734 20 0 EHADRM C[C@H](NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)c1cccc(F)c1F ZINC000270856034 1141276648 /nfs/dbraw/zinc/27/66/48/1141276648.db2.gz JBUXGCDNSBRQNJ-BUXKBTBVSA-N -1 0 347.361 3.575 20 0 EHADRM Cc1sc(/C=C/c2cnc(-c3ccccn3)s2)nc1C(=O)[O-] ZINC000339114218 1141501248 /nfs/dbraw/zinc/50/12/48/1141501248.db2.gz PQGGGKNMCOAMDC-AATRIKPKSA-N -1 0 329.406 3.839 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000339167031 1141516017 /nfs/dbraw/zinc/51/60/17/1141516017.db2.gz BMJPFYWJEFNJKP-XOBRGWDASA-N -1 0 341.407 3.765 20 0 EHADRM C[C@@H](N=c1[n-]nc(-c2ccccc2)s1)c1ccc([S@](C)=O)cc1 ZINC000339216281 1141530731 /nfs/dbraw/zinc/53/07/31/1141530731.db2.gz KVKJFGMHLZFFJL-SPSFWMDKSA-N -1 0 343.477 3.538 20 0 EHADRM CSCc1ccc(CNC(=O)CC2(CC(=O)[O-])CCCCC2)cc1 ZINC000348998581 1141619824 /nfs/dbraw/zinc/61/98/24/1141619824.db2.gz AFROJQHDHVDNFO-UHFFFAOYSA-N -1 0 349.496 3.981 20 0 EHADRM CC(C=Cc1nc(C)c(CC(=O)[O-])c(=O)[nH]1)=Cc1ccc(Cl)cc1 ZINC000349113285 1141641383 /nfs/dbraw/zinc/64/13/83/1141641383.db2.gz QWFQRKXPGZSKJU-FILDDJAESA-N -1 0 344.798 3.888 20 0 EHADRM O=C([O-])c1ccc(-c2ccc(C(=O)N3CCCCC3)cc2)cc1F ZINC000065355334 214874025 /nfs/dbraw/zinc/87/40/25/214874025.db2.gz DBUYQQXUWITHHA-UHFFFAOYSA-N -1 0 327.355 3.817 20 0 EHADRM Cc1cc(C(=O)[O-])c(NC(=O)c2csc(Br)c2)s1 ZINC000104360476 219379266 /nfs/dbraw/zinc/37/92/66/219379266.db2.gz IQJBGPHKCIOMCO-UHFFFAOYSA-N -1 0 346.227 3.831 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)CCCSc1ccc(Cl)cc1 ZINC000038022900 213191678 /nfs/dbraw/zinc/19/16/78/213191678.db2.gz UMJFWRSLPSIKHV-UHFFFAOYSA-N -1 0 329.849 3.536 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(Br)ccc2F)s1 ZINC000035426407 213027319 /nfs/dbraw/zinc/02/73/19/213027319.db2.gz CMSJADGRMCJQIT-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM O=C([O-])c1cccnc1SCc1ccc(F)c(Br)c1 ZINC000019280711 212010369 /nfs/dbraw/zinc/01/03/69/212010369.db2.gz LENDPNQFBHYSOP-UHFFFAOYSA-N -1 0 342.189 3.974 20 0 EHADRM O=C([O-])c1ccc(NC(=O)COc2cc(Cl)ccc2Cl)cc1 ZINC000013318494 211543726 /nfs/dbraw/zinc/54/37/26/211543726.db2.gz VLLMCBOCAWTQGZ-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM O=C([O-])CC1(NC(=O)c2ccc(C(F)(F)F)cc2)CCCCC1 ZINC000321336057 970763037 /nfs/dbraw/zinc/76/30/37/970763037.db2.gz AZGQTIRVTQORLK-UHFFFAOYSA-N -1 0 329.318 3.613 20 0 EHADRM CCCC(CCC)Sc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000736425206 598962719 /nfs/dbraw/zinc/96/27/19/598962719.db2.gz FWBJAKBZCDZUIJ-UHFFFAOYSA-N -1 0 328.445 3.871 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N(Cc2ccccc2)CC(F)F)c1 ZINC000819557416 597015120 /nfs/dbraw/zinc/01/51/20/597015120.db2.gz GRWIECZOVKALGO-UHFFFAOYSA-N -1 0 348.349 3.613 20 0 EHADRM COc1ccc(-c2nc(CS[C@H](C)C(=O)[O-])cs2)cc1OC ZINC000739877825 597071506 /nfs/dbraw/zinc/07/15/06/597071506.db2.gz BUGHBPRHPZWXHZ-SECBINFHSA-N -1 0 339.438 3.534 20 0 EHADRM CCSCc1cccc(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000516554856 597119943 /nfs/dbraw/zinc/11/99/43/597119943.db2.gz SLAHLFNCGUJMGK-CYBMUJFWSA-N -1 0 336.457 3.658 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000567336658 597121824 /nfs/dbraw/zinc/12/18/24/597121824.db2.gz RMXLYNQZXYBXON-ZDUSSCGKSA-N -1 0 346.427 3.634 20 0 EHADRM O=C([O-])Cc1cccc(NCc2ccccc2OCC(F)(F)F)c1 ZINC000819580019 597138779 /nfs/dbraw/zinc/13/87/79/597138779.db2.gz YRIFMGJFAJERJG-UHFFFAOYSA-N -1 0 339.313 3.867 20 0 EHADRM COc1ccc(CNc2cccc(CC(=O)[O-])c2)c(OC(F)F)c1 ZINC000818591492 597139562 /nfs/dbraw/zinc/13/95/62/597139562.db2.gz KKQXPKWQPMYWJZ-UHFFFAOYSA-N -1 0 337.322 3.536 20 0 EHADRM C[C@@H](CNC(=O)Nc1cccc(CC(=O)[O-])c1)c1ccc(F)cc1F ZINC000818008676 597203732 /nfs/dbraw/zinc/20/37/32/597203732.db2.gz IUCHPZKSYMFDQY-NSHDSACASA-N -1 0 348.349 3.517 20 0 EHADRM Cc1ccc([C@@H](C)N(C)C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000263355520 597230189 /nfs/dbraw/zinc/23/01/89/597230189.db2.gz IVWOOIHPBNPOPR-CQSZACIVSA-N -1 0 326.396 3.596 20 0 EHADRM CC(C)Oc1ccccc1C[S@@](=O)Cc1ccc(C(=O)[O-])cc1 ZINC000817921842 597285288 /nfs/dbraw/zinc/28/52/88/597285288.db2.gz YGEBQSVEPBAHKJ-QHCPKHFHSA-N -1 0 332.421 3.621 20 0 EHADRM O=C([O-])CCCNC(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000819443238 597320769 /nfs/dbraw/zinc/32/07/69/597320769.db2.gz UWRDQRMTFPTOBW-UHFFFAOYSA-N -1 0 349.774 3.514 20 0 EHADRM Cc1ccccc1[C@@H](C)N(C)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818958711 597321905 /nfs/dbraw/zinc/32/19/05/597321905.db2.gz JBIHSJFACDLUCF-CQSZACIVSA-N -1 0 326.396 3.847 20 0 EHADRM C[C@H](CNC(=O)Nc1ccccc1CC(=O)[O-])Sc1ccccc1 ZINC000818008277 597322377 /nfs/dbraw/zinc/32/23/77/597322377.db2.gz CUVWUMAWRNRYSI-CYBMUJFWSA-N -1 0 344.436 3.616 20 0 EHADRM C[C@H](CCNC(=O)Nc1ccccc1CC(=O)[O-])c1ccccc1 ZINC000324955580 597332740 /nfs/dbraw/zinc/33/27/40/597332740.db2.gz IIKZWDWVNPCUGL-CQSZACIVSA-N -1 0 326.396 3.629 20 0 EHADRM C[C@H](NC(=O)Nc1ccccc1CC(=O)[O-])C(C)(C)c1ccccc1 ZINC000818039691 597338201 /nfs/dbraw/zinc/33/82/01/597338201.db2.gz LYPAQZVDYZXZEV-AWEZNQCLSA-N -1 0 340.423 3.802 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N[C@H](CC1CC1)c1ccccc1 ZINC000819611033 597339148 /nfs/dbraw/zinc/33/91/48/597339148.db2.gz WVZBGYLEXBPYAK-GOSISDBHSA-N -1 0 338.407 3.977 20 0 EHADRM CC(C)(NC(=O)Nc1ccccc1CC(=O)[O-])c1cccc(F)c1 ZINC000817842119 597340946 /nfs/dbraw/zinc/34/09/46/597340946.db2.gz RPMLBNQXYCLEFV-UHFFFAOYSA-N -1 0 330.359 3.510 20 0 EHADRM O=C([O-])c1ccc(C[S@](=O)[C@@H]2CCc3c2cccc3Cl)cc1 ZINC000821545599 597375293 /nfs/dbraw/zinc/37/52/93/597375293.db2.gz HMWFQJIOXJKINU-ZHRRBRCNSA-N -1 0 334.824 3.974 20 0 EHADRM C[C@H](CC(=O)Nc1ccccc1CC(=O)[O-])c1ccc(F)cc1F ZINC000431679579 597376531 /nfs/dbraw/zinc/37/65/31/597376531.db2.gz RCKDCBMAEZBLPF-LLVKDONJSA-N -1 0 333.334 3.724 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1cc(-c2ccccn2)ccc1Cl ZINC000190878926 597390784 /nfs/dbraw/zinc/39/07/84/597390784.db2.gz GVLCXHQWUUYZRG-UHFFFAOYSA-N -1 0 346.814 3.777 20 0 EHADRM Cc1coc(-c2ccc(C)c(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])c2)n1 ZINC000821146706 597512003 /nfs/dbraw/zinc/51/20/03/597512003.db2.gz ALOJSBONVIHPRA-HNNXBMFYSA-N -1 0 345.399 3.579 20 0 EHADRM CCC(CC)n1ccc(CSc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000820903723 607326419 /nfs/dbraw/zinc/32/64/19/607326419.db2.gz WWHOHXQJIZQEKK-UHFFFAOYSA-N -1 0 328.445 3.717 20 0 EHADRM O=C([O-])C1CCC(Nc2ccccc2OCc2cscn2)CC1 ZINC000414640445 598153822 /nfs/dbraw/zinc/15/38/22/598153822.db2.gz RSQGWMRKTHAYHL-UHFFFAOYSA-N -1 0 332.425 3.777 20 0 EHADRM O=C([O-])c1cccc(CN[C@@H](c2cccc(F)c2)c2ccccn2)c1 ZINC000821551661 598205443 /nfs/dbraw/zinc/20/54/43/598205443.db2.gz RDQTUIHGFSYASM-IBGZPJMESA-N -1 0 336.366 3.798 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)Nc2cccc(C(F)F)c2)C(=O)[O-])cc1 ZINC000738559374 599701436 /nfs/dbraw/zinc/70/14/36/599701436.db2.gz HMISGGCNROBQJN-OAHLLOKOSA-N -1 0 348.349 3.923 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCc2ccc(Oc3ccccc3)cc2)cn1 ZINC000238022860 599702168 /nfs/dbraw/zinc/70/21/68/599702168.db2.gz DCQKWJDCOBUDRX-UHFFFAOYSA-N -1 0 348.358 3.502 20 0 EHADRM CCC1(C)CCN(C(=O)c2ccccc2S[C@@H](C)C(=O)[O-])CC1 ZINC000736929631 599702436 /nfs/dbraw/zinc/70/24/36/599702436.db2.gz ODAGECGVTQFXKG-ZDUSSCGKSA-N -1 0 335.469 3.904 20 0 EHADRM C[C@@H](SCC(=O)[O-])C(=O)Nc1ccccc1Sc1ccccc1 ZINC000736708014 599705355 /nfs/dbraw/zinc/70/53/55/599705355.db2.gz HQFOZRGHOGFKBB-GFCCVEGCSA-N -1 0 347.461 3.983 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)[O-])nn1 ZINC000736622171 599707282 /nfs/dbraw/zinc/70/72/82/599707282.db2.gz JEBMGIYGPAWACY-QMMMGPOBSA-N -1 0 326.183 3.525 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCC2(c3ccc(Cl)cc3)CC2)cc1 ZINC000739408169 599711404 /nfs/dbraw/zinc/71/14/04/599711404.db2.gz WMCDJYGJWLAQLF-UHFFFAOYSA-N -1 0 344.798 3.892 20 0 EHADRM CC(C)(C)n1cc(NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cn1 ZINC000736306205 599713040 /nfs/dbraw/zinc/71/30/40/599713040.db2.gz NGXZHTCMTCQYFJ-UHFFFAOYSA-N -1 0 335.339 3.511 20 0 EHADRM C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736725251 599713279 /nfs/dbraw/zinc/71/32/79/599713279.db2.gz QJFKTLSJAPSCOX-JTQLQIEISA-N -1 0 332.335 3.536 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N[C@H]2C[C@H]2c2cccc(F)c2)ccc1F ZINC000740006751 599715492 /nfs/dbraw/zinc/71/54/92/599715492.db2.gz WLYCHRJJZXFUIN-JSGCOSHPSA-N -1 0 347.321 3.732 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)Nc1cccc(C(=O)[O-])c1O ZINC000736891560 599717784 /nfs/dbraw/zinc/71/77/84/599717784.db2.gz OPKDNLYCJRTXDN-GFCCVEGCSA-N -1 0 343.379 3.621 20 0 EHADRM O=C([O-])NCCCC(=O)N(Cc1ccco1)c1ccc(Cl)cc1 ZINC000739954832 599718939 /nfs/dbraw/zinc/71/89/39/599718939.db2.gz UTWNWRAORAFDBB-UHFFFAOYSA-N -1 0 336.775 3.514 20 0 EHADRM CC(C)(C)c1ccc(C2(CNC(=O)CCCNC(=O)[O-])CCC2)cc1 ZINC000736298900 599729049 /nfs/dbraw/zinc/72/90/49/599729049.db2.gz WVISZYARMVUTNH-UHFFFAOYSA-N -1 0 346.471 3.570 20 0 EHADRM Cn1c(C(=O)Nc2sccc2C(=O)[O-])ccc1-c1ccc(F)cc1 ZINC000739012857 599733910 /nfs/dbraw/zinc/73/39/10/599733910.db2.gz SAABCSQSZTVAFQ-UHFFFAOYSA-N -1 0 344.367 3.843 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)CCCN(C)C(=O)[O-])cn2)cc1 ZINC000738649152 599735188 /nfs/dbraw/zinc/73/51/88/599735188.db2.gz LMEVOXQMRPBUKC-UHFFFAOYSA-N -1 0 343.383 3.511 20 0 EHADRM CCC(CC)[C@@H](NC(=O)CCCN(C)C(=O)[O-])c1cccs1 ZINC000736896087 599737862 /nfs/dbraw/zinc/73/78/62/599737862.db2.gz WFZREMILIZFEIX-OAHLLOKOSA-N -1 0 326.462 3.732 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)/C=C(/C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000737234603 599744887 /nfs/dbraw/zinc/74/48/87/599744887.db2.gz NEXKBVNDSYICAP-YLQMECNNSA-N -1 0 343.345 3.724 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N(CCC(=O)[O-])Cc2ccccc2)cc1 ZINC000675946744 599745023 /nfs/dbraw/zinc/74/50/23/599745023.db2.gz JCIPCPGCJZZLJG-MRXNPFEDSA-N -1 0 339.435 3.856 20 0 EHADRM CCCN(C(=O)CCSCC(=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000737009047 599750185 /nfs/dbraw/zinc/75/01/85/599750185.db2.gz MLBOLHURLXZNMI-CYBMUJFWSA-N -1 0 349.452 3.940 20 0 EHADRM O=C([O-])c1sccc1NC(=O)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000739488202 599752384 /nfs/dbraw/zinc/75/23/84/599752384.db2.gz LWWNFUGPELXLMR-UHFFFAOYSA-N -1 0 337.307 3.513 20 0 EHADRM O=C([O-])CCCCCCNC(=O)N[C@@H]1CCCCc2ccccc21 ZINC000738566331 599762906 /nfs/dbraw/zinc/76/29/06/599762906.db2.gz XMYPPEWYJNZSTO-QGZVFWFLSA-N -1 0 332.444 3.788 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2cc3c(s2)CCCC3)cc1 ZINC000238053232 599767965 /nfs/dbraw/zinc/76/79/65/599767965.db2.gz YZIUXZHXENLPSU-UHFFFAOYSA-N -1 0 329.421 3.896 20 0 EHADRM Cc1nc2ccccc2cc1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000191022490 599768060 /nfs/dbraw/zinc/76/80/60/599768060.db2.gz VFUMKMLLDFZYJW-UHFFFAOYSA-N -1 0 334.375 3.813 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2ccc(-n3cccc3)cc2)cc1 ZINC000327040473 599768518 /nfs/dbraw/zinc/76/85/18/599768518.db2.gz NBCMYOAPFBZNPU-UHFFFAOYSA-N -1 0 334.375 3.747 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)CCOc2ccc(Cl)cc2)cc1 ZINC000238027322 599770718 /nfs/dbraw/zinc/77/07/18/599770718.db2.gz OVUACIAYOHGWAI-UHFFFAOYSA-N -1 0 347.798 3.765 20 0 EHADRM CCCc1c(C(=O)N[C@@H](CC)c2nc(C)cs2)[nH]c(C)c1C(=O)[O-] ZINC000737042885 599775753 /nfs/dbraw/zinc/77/57/53/599775753.db2.gz WFWRHQJLYQJWHY-LBPRGKRZSA-N -1 0 349.456 3.620 20 0 EHADRM CCCC[C@H]1CCC[C@H]1NC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000736986683 599781571 /nfs/dbraw/zinc/78/15/71/599781571.db2.gz YQLIJPVNBRFCJG-XJKSGUPXSA-N -1 0 336.432 3.787 20 0 EHADRM CCC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736970726 599781783 /nfs/dbraw/zinc/78/17/83/599781783.db2.gz OQXMJAOGEGQPPX-SFHVURJKSA-N -1 0 340.423 3.595 20 0 EHADRM C[C@H](OC(=O)c1ccccc1C(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000736695394 599788835 /nfs/dbraw/zinc/78/88/35/599788835.db2.gz BONVZUFUJHBVHX-JTQLQIEISA-N -1 0 336.290 3.904 20 0 EHADRM O=C([O-])CCCNC(=O)N[C@@H](CC1CCCCC1)c1ccccc1 ZINC000739676181 599791116 /nfs/dbraw/zinc/79/11/16/599791116.db2.gz ILCYWEOKFZMOND-KRWDZBQOSA-N -1 0 332.444 3.862 20 0 EHADRM O=C([O-])c1ccc2c(=O)[nH]c(C=Cc3cc(F)c(F)c(F)c3)nc2c1 ZINC000740190222 599794646 /nfs/dbraw/zinc/79/46/46/599794646.db2.gz MZKJWOLNQYNCFT-DAFODLJHSA-N -1 0 346.264 3.621 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccc(F)cc2C(F)(F)F)c1 ZINC000740217197 599798763 /nfs/dbraw/zinc/79/87/63/599798763.db2.gz SNEYMUGLTGPNFI-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccsc2)c(OCC(F)(F)F)c1 ZINC000740156268 599799707 /nfs/dbraw/zinc/79/97/07/599799707.db2.gz LMPHAXCSSBGXCZ-UHFFFAOYSA-N -1 0 345.298 3.640 20 0 EHADRM Cc1ccc(-c2nnc(SCc3cc(C(=O)[O-])co3)o2)cc1C ZINC000738495273 599802029 /nfs/dbraw/zinc/80/20/29/599802029.db2.gz RHRKPJSLLIEIRS-UHFFFAOYSA-N -1 0 330.365 3.937 20 0 EHADRM CCCc1cc(=O)oc2cc(OCc3cc(C(=O)[O-])co3)ccc12 ZINC000737042444 599802877 /nfs/dbraw/zinc/80/28/77/599802877.db2.gz CSGGAPCQWDROJY-UHFFFAOYSA-N -1 0 328.320 3.616 20 0 EHADRM CC(=O)c1cccc(NC(=O)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC000325588580 599804290 /nfs/dbraw/zinc/80/42/90/599804290.db2.gz BPYJHSOHDJHGIU-UHFFFAOYSA-N -1 0 326.352 3.550 20 0 EHADRM COc1ccc(OC)c(NC(=S)Nc2cccc(C(=O)[O-])c2C)c1 ZINC000738047672 599806580 /nfs/dbraw/zinc/80/65/80/599806580.db2.gz MGEZFRZSEHHOML-UHFFFAOYSA-N -1 0 346.408 3.519 20 0 EHADRM Cc1sc(NC(=O)[C@H](NC(=O)[O-])C(C)C)nc1-c1ccc(C)cc1 ZINC000738491424 599808666 /nfs/dbraw/zinc/80/86/66/599808666.db2.gz XTAFRRZCRIMNPR-CYBMUJFWSA-N -1 0 347.440 3.658 20 0 EHADRM Cc1cc(C(=O)NC2(C(=O)[O-])CCCC2)sc1-c1ccc(F)cc1 ZINC000237712928 599809448 /nfs/dbraw/zinc/80/94/48/599809448.db2.gz BSWMMVPTVXXSRJ-UHFFFAOYSA-N -1 0 347.411 3.990 20 0 EHADRM Cc1nc(-c2ccc3ccccc3c2)n(Cc2ccc(C(=O)[O-])o2)n1 ZINC000738830131 599809638 /nfs/dbraw/zinc/80/96/38/599809638.db2.gz WSDFYRMFOYYHJE-UHFFFAOYSA-N -1 0 333.347 3.746 20 0 EHADRM CC(C)c1nc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])cs1 ZINC000362536562 599811612 /nfs/dbraw/zinc/81/16/12/599811612.db2.gz XDVHXUMRMSKMFS-ZDUSSCGKSA-N -1 0 346.452 3.630 20 0 EHADRM CC[C@H](NC(=O)Nc1cc(C(=O)[O-])ccc1F)c1nc(C)cs1 ZINC000736914314 599816705 /nfs/dbraw/zinc/81/67/05/599816705.db2.gz PAWDLCUIGIXGMG-NSHDSACASA-N -1 0 337.376 3.562 20 0 EHADRM CCC(CC)NC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000736900878 599820478 /nfs/dbraw/zinc/82/04/78/599820478.db2.gz UVGCLMBJJUDFPX-UHFFFAOYSA-N -1 0 348.321 3.636 20 0 EHADRM Cc1cc2ccccc2n1CC(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC000738479439 599823166 /nfs/dbraw/zinc/82/31/66/599823166.db2.gz PZJUGQSWBFZUIM-UHFFFAOYSA-N -1 0 343.766 3.907 20 0 EHADRM COc1ccccc1[C@@H](C)NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000738120576 599826425 /nfs/dbraw/zinc/82/64/25/599826425.db2.gz MYUSAWDRMIOYES-CYBMUJFWSA-N -1 0 342.395 3.595 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000736648693 599828172 /nfs/dbraw/zinc/82/81/72/599828172.db2.gz INCJVOKGWSRRAC-NSHDSACASA-N -1 0 348.349 3.865 20 0 EHADRM CN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000737471661 599829521 /nfs/dbraw/zinc/82/95/21/599829521.db2.gz CSUJZKJWOPQUFC-UHFFFAOYSA-N -1 0 348.349 3.646 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)[C@@H]1CCCc3ccccc31)CCC2 ZINC000324143023 599835358 /nfs/dbraw/zinc/83/53/58/599835358.db2.gz WGSIOSPSYTVVHA-CYBMUJFWSA-N -1 0 341.432 3.994 20 0 EHADRM Cc1ccc(Cl)c(O[C@@H](C)C(=O)N(C)c2ccccc2C(=O)[O-])c1 ZINC000738281554 599837720 /nfs/dbraw/zinc/83/77/20/599837720.db2.gz RLKQBTSOBXVQIG-LBPRGKRZSA-N -1 0 347.798 3.777 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N(C)c1ccccc1C(=O)[O-] ZINC000736760320 599838360 /nfs/dbraw/zinc/83/83/60/599838360.db2.gz CRCMIVQGIQQVRN-IIDMSEBBSA-N -1 0 347.455 3.825 20 0 EHADRM Cc1nc(CC(C)C)sc1C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000738850791 599842984 /nfs/dbraw/zinc/84/29/84/599842984.db2.gz AUYUKZLKGBEQGP-UHFFFAOYSA-N -1 0 336.388 3.740 20 0 EHADRM COc1ccc(Sc2ccc(NC(=O)[C@H]3C[C@H]3C(=O)[O-])cc2)cc1 ZINC000362500470 599843787 /nfs/dbraw/zinc/84/37/87/599843787.db2.gz RZXICTBPIWIQFC-JKSUJKDBSA-N -1 0 343.404 3.506 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)CCOc1ccc(Cl)cc1 ZINC000739252022 599844154 /nfs/dbraw/zinc/84/41/54/599844154.db2.gz QWTSTIWIIGPMRM-UHFFFAOYSA-N -1 0 337.734 3.585 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2ccc(C)cc2)cc1 ZINC000237347408 599846679 /nfs/dbraw/zinc/84/66/79/599846679.db2.gz NHNMSLQIYXQRBM-QGZVFWFLSA-N -1 0 343.448 3.592 20 0 EHADRM CC(C)c1ccc(S(=O)(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000325414329 599852724 /nfs/dbraw/zinc/85/27/24/599852724.db2.gz UXFGJUFJAHMANL-UHFFFAOYSA-N -1 0 347.436 3.628 20 0 EHADRM O=C([O-])c1c(F)cccc1NCc1c(F)c(F)c(F)c(F)c1F ZINC000740065837 599857355 /nfs/dbraw/zinc/85/73/55/599857355.db2.gz FRZOHVXEGVXOQP-UHFFFAOYSA-N -1 0 335.203 3.832 20 0 EHADRM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)CCc1ccc2ccccc2c1 ZINC000237956562 599858871 /nfs/dbraw/zinc/85/88/71/599858871.db2.gz ZHJKHCDONZXFPJ-HXUWFJFHSA-N -1 0 347.414 3.585 20 0 EHADRM O=C([O-])CCCCNC(=O)NCC1CCC(c2ccccc2)CC1 ZINC000666527009 599870933 /nfs/dbraw/zinc/87/09/33/599870933.db2.gz NKLGPNCAOMARKS-UHFFFAOYSA-N -1 0 332.444 3.515 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2ccc(Br)cc2)c1 ZINC000740033742 599892946 /nfs/dbraw/zinc/89/29/46/599892946.db2.gz LMPXOOJPBYMSHS-UHFFFAOYSA-N -1 0 335.157 3.791 20 0 EHADRM CCCn1c2ccccc2nc1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000167071055 599894095 /nfs/dbraw/zinc/89/40/95/599894095.db2.gz BHJHBSXTTPPFEF-UHFFFAOYSA-N -1 0 338.367 3.789 20 0 EHADRM CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000324679254 599904523 /nfs/dbraw/zinc/90/45/23/599904523.db2.gz NIMDXRCULWUSLA-UHFFFAOYSA-N -1 0 347.436 3.689 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N[C@H]2CCSc3ccccc32)c1 ZINC000740028968 599905070 /nfs/dbraw/zinc/90/50/70/599905070.db2.gz MDMMSDMUMQECTL-AWEZNQCLSA-N -1 0 328.393 3.743 20 0 EHADRM Cc1cc(C)c(CCNC(=O)c2cccc(NC(=O)[O-])c2)c(C)c1 ZINC000738355151 599906936 /nfs/dbraw/zinc/90/69/36/599906936.db2.gz GNDHIFZOXSMUMD-UHFFFAOYSA-N -1 0 326.396 3.674 20 0 EHADRM O=C([O-])c1cnc(/C=C/c2ccc(OCC(F)(F)F)cc2)s1 ZINC000522482579 599907511 /nfs/dbraw/zinc/90/75/11/599907511.db2.gz VDPGPCDQZMKLEV-ZZXKWVIFSA-N -1 0 329.299 3.953 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2nnc(-c3ccsc3)s2)c1 ZINC000740035134 599909004 /nfs/dbraw/zinc/90/90/04/599909004.db2.gz AQUKHWJIWKHDNY-UHFFFAOYSA-N -1 0 346.393 3.609 20 0 EHADRM CC(=O)Nc1ccc(Cl)cc1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000736159417 599909827 /nfs/dbraw/zinc/90/98/27/599909827.db2.gz JISQKERUZRCFAF-UHFFFAOYSA-N -1 0 347.758 3.641 20 0 EHADRM O=Cc1cc(C(=O)[O-])ccc1OCc1ccc(OC(F)(F)F)cc1 ZINC000740318190 599910046 /nfs/dbraw/zinc/91/00/46/599910046.db2.gz UCXMHZOIPQDSRG-UHFFFAOYSA-N -1 0 340.253 3.675 20 0 EHADRM O=Cc1cc(C(=O)[O-])ccc1OCc1cc(Cl)cc2cccnc21 ZINC000740318223 599910864 /nfs/dbraw/zinc/91/08/64/599910864.db2.gz VFRGYZMSGKKVMZ-UHFFFAOYSA-N -1 0 341.750 3.978 20 0 EHADRM C[C@H](CN(C(=O)[C@@H](C)Sc1ccccc1Cl)C1CC1)C(=O)[O-] ZINC000237609767 599917133 /nfs/dbraw/zinc/91/71/33/599917133.db2.gz XVUCYPNXECIFOO-GHMZBOCLSA-N -1 0 341.860 3.532 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)c2ccc(F)cc2F)c1 ZINC000238075432 599920802 /nfs/dbraw/zinc/92/08/02/599920802.db2.gz CYTZHRYIXDLFAY-UHFFFAOYSA-N -1 0 337.347 3.535 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000237450819 599921139 /nfs/dbraw/zinc/92/11/39/599921139.db2.gz SQTHCWVMHJXPJD-WDEREUQCSA-N -1 0 341.860 3.532 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)/C=C/c2ccccc2F)c1 ZINC000739871405 599924048 /nfs/dbraw/zinc/92/40/48/599924048.db2.gz CIIXUBDEYSLBOP-CMDGGOBGSA-N -1 0 345.395 3.795 20 0 EHADRM COc1ccc([C@H]2CCCN2C(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000737985926 599928240 /nfs/dbraw/zinc/92/82/40/599928240.db2.gz IMJNAZXACQVVHK-QGZVFWFLSA-N -1 0 340.379 3.762 20 0 EHADRM CCSc1ccc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)cn1 ZINC000737229029 599930772 /nfs/dbraw/zinc/93/07/72/599930772.db2.gz HAAKXLGPHBFWRA-OAHLLOKOSA-N -1 0 344.436 3.530 20 0 EHADRM Cc1ccccc1CCC(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000195257033 599930838 /nfs/dbraw/zinc/93/08/38/599930838.db2.gz UMDAFWLKRUFTAV-GOSISDBHSA-N -1 0 325.408 3.650 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)c1ccnc2ccccc21)c1ccccc1 ZINC000327041192 599935321 /nfs/dbraw/zinc/93/53/21/599935321.db2.gz NHUAFBKSUPAXAR-KRWDZBQOSA-N -1 0 334.375 3.571 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)c1ccc2ccccc2n1)c1ccccc1 ZINC000193449518 599937755 /nfs/dbraw/zinc/93/77/55/599937755.db2.gz HSTSOTYIUGOXGC-QGZVFWFLSA-N -1 0 334.375 3.571 20 0 EHADRM Cc1ccc(S[C@@H](C(=O)N(C)CC(=O)[O-])c2ccccc2)c(C)c1 ZINC000427754797 599939278 /nfs/dbraw/zinc/93/92/78/599939278.db2.gz FDOGUSYWIXQOLD-GOSISDBHSA-N -1 0 343.448 3.680 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)c1cc2ccsc2[nH]1)c1ccccc1 ZINC000739662450 599952976 /nfs/dbraw/zinc/95/29/76/599952976.db2.gz HBZPEKCUDPMLKN-ZDUSSCGKSA-N -1 0 328.393 3.565 20 0 EHADRM Cc1c(NC(=O)N2CCC(c3nccs3)CC2)cccc1C(=O)[O-] ZINC000738304354 599953195 /nfs/dbraw/zinc/95/31/95/599953195.db2.gz OZKLEXGPEZSBKB-UHFFFAOYSA-N -1 0 345.424 3.561 20 0 EHADRM Cn1ccc2c1cccc2C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000676001437 599960407 /nfs/dbraw/zinc/96/04/07/599960407.db2.gz JSLCULZFDZZULY-UHFFFAOYSA-N -1 0 328.755 3.782 20 0 EHADRM C[C@H](C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1)c1ccccc1F ZINC000139390413 599971984 /nfs/dbraw/zinc/97/19/84/599971984.db2.gz IOKNSMWPPGLGPB-GUYCJALGSA-N -1 0 329.371 3.652 20 0 EHADRM Cc1nn(C)c(Cl)c1[C@@H]1CCCN1[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000738915615 599975061 /nfs/dbraw/zinc/97/50/61/599975061.db2.gz QNNKTHKTOFAKQC-MNOVXSKESA-N -1 0 337.807 3.571 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CCCC1CCCCC1)c1cc(F)ccc1F ZINC000739235480 599981194 /nfs/dbraw/zinc/98/11/94/599981194.db2.gz LGONHEXSROPYPH-KRWDZBQOSA-N -1 0 339.382 3.957 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NC(C)(C)c1ccc(F)cc1 ZINC000738532782 599987682 /nfs/dbraw/zinc/98/76/82/599987682.db2.gz JTUUJMWIVZKEKK-UHFFFAOYSA-N -1 0 330.359 3.889 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)c1sc(-c2ccc(C)cc2C)nc1C ZINC000236955706 599992862 /nfs/dbraw/zinc/99/28/62/599992862.db2.gz QGNOFYRIMPKHGT-UHFFFAOYSA-N -1 0 346.452 3.672 20 0 EHADRM Cc1cc(C)cc(NC(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])c1 ZINC000738365161 599993919 /nfs/dbraw/zinc/99/39/19/599993919.db2.gz WYLHQACQKVAWKG-OAHLLOKOSA-N -1 0 344.386 3.508 20 0 EHADRM Cc1ccc(Oc2ccccc2CNc2ccc(C(=O)[O-])nn2)cc1 ZINC000738649188 600005524 /nfs/dbraw/zinc/00/55/24/600005524.db2.gz MCPGJJSEPAGAHH-UHFFFAOYSA-N -1 0 335.363 3.888 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1NC(=O)CCSCC(=O)[O-] ZINC000738474642 600011506 /nfs/dbraw/zinc/01/15/06/600011506.db2.gz RGNBZCRFUQRHJG-UHFFFAOYSA-N -1 0 345.420 3.934 20 0 EHADRM COc1ccc(C(=O)[O-])c(NCC(=O)Nc2cccc(C(C)C)c2)c1 ZINC000737941980 600018144 /nfs/dbraw/zinc/01/81/44/600018144.db2.gz CBRFVTYOZWMHCO-UHFFFAOYSA-N -1 0 342.395 3.567 20 0 EHADRM CN(C(=O)Nc1cccc(CSCC(=O)[O-])c1)C(C1CC1)C1CC1 ZINC000737328282 600020113 /nfs/dbraw/zinc/02/01/13/600020113.db2.gz FUWZSGUKHYOXQR-UHFFFAOYSA-N -1 0 348.468 3.657 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)N2CCc3ccccc32)c1 ZINC000739872149 600021062 /nfs/dbraw/zinc/02/10/62/600021062.db2.gz GVIYGJCTLNOWCN-UHFFFAOYSA-N -1 0 342.420 3.599 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)c1ccc(CSc2ccccc2)cc1 ZINC000236944672 600022525 /nfs/dbraw/zinc/02/25/25/600022525.db2.gz WRZQVHIIGCGSRV-UHFFFAOYSA-N -1 0 343.448 3.916 20 0 EHADRM Cc1cccc(C[C@H](CNC(=O)Nc2cccc(C)c2C)C(=O)[O-])c1 ZINC000738708533 600025942 /nfs/dbraw/zinc/02/59/42/600025942.db2.gz PUOGVGSDOSZACZ-QGZVFWFLSA-N -1 0 340.423 3.677 20 0 EHADRM CC(C)c1ccc(CCC(=O)Oc2cccc(CC(=O)[O-])c2)cc1 ZINC000736511679 600026872 /nfs/dbraw/zinc/02/68/72/600026872.db2.gz AEMXKYSWNMDNIA-UHFFFAOYSA-N -1 0 326.392 3.975 20 0 EHADRM Cc1ccc2nc(NC(=O)CCc3ccc(C(=O)[O-])cc3)sc2c1 ZINC000738677590 600033290 /nfs/dbraw/zinc/03/32/90/600033290.db2.gz TUCCESLQOCRNMR-UHFFFAOYSA-N -1 0 340.404 3.874 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Oc2cccc(Br)c2)cc1 ZINC000739260492 600033805 /nfs/dbraw/zinc/03/38/05/600033805.db2.gz JJUHQMMFPHWTLO-UHFFFAOYSA-N -1 0 349.180 3.686 20 0 EHADRM CCc1cccc2c(CC(=O)OCc3cc(C(=O)[O-])c(C)o3)c[nH]c21 ZINC000737269387 600035993 /nfs/dbraw/zinc/03/59/93/600035993.db2.gz CILAAPYJPBWHFO-UHFFFAOYSA-N -1 0 341.363 3.616 20 0 EHADRM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)c1 ZINC000738098068 600039038 /nfs/dbraw/zinc/03/90/38/600039038.db2.gz YJHGBECPPSSVAB-IRXDYDNUSA-N -1 0 340.379 3.552 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Nc2cccc(OC(F)F)c2)cc1 ZINC000238072510 600039229 /nfs/dbraw/zinc/03/92/29/600039229.db2.gz IMKSLCVKJCEZBG-UHFFFAOYSA-N -1 0 335.306 3.558 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N2CCC[C@H]2C2CCCCC2)cc1 ZINC000238058573 600039844 /nfs/dbraw/zinc/03/98/44/600039844.db2.gz KTKNCOMQNQQWET-SFHVURJKSA-N -1 0 329.440 3.889 20 0 EHADRM CC(=O)c1csc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)c1 ZINC000362564904 600040153 /nfs/dbraw/zinc/04/01/53/600040153.db2.gz OZCGDOVRTFTLDX-UHFFFAOYSA-N -1 0 349.433 3.521 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000237183875 600042523 /nfs/dbraw/zinc/04/25/23/600042523.db2.gz JGPWLRWOCHFFBX-CYBMUJFWSA-N -1 0 327.380 3.664 20 0 EHADRM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000261970872 600049782 /nfs/dbraw/zinc/04/97/82/600049782.db2.gz BJSKQFQMTJKIFG-VQCLRJIVSA-N -1 0 347.455 3.511 20 0 EHADRM C[C@H](C(=O)NC1CCC(C(=O)[O-])CC1)c1c(Cl)cccc1Cl ZINC000678302764 600050002 /nfs/dbraw/zinc/05/00/02/600050002.db2.gz JNQWEAYJBFNINA-WHXUTIOJSA-N -1 0 344.238 3.857 20 0 EHADRM O=C([O-])C1CCC(NC(=O)c2ccccc2SC(F)(F)F)CC1 ZINC000319635835 600050588 /nfs/dbraw/zinc/05/05/88/600050588.db2.gz BJQWESDBCUYUCF-UHFFFAOYSA-N -1 0 347.358 3.672 20 0 EHADRM CCn1c(CSc2ncccc2C(=O)[O-])nc2cc(F)ccc21 ZINC000737296005 600056453 /nfs/dbraw/zinc/05/64/53/600056453.db2.gz RARQBLFNZFNUBZ-UHFFFAOYSA-N -1 0 331.372 3.581 20 0 EHADRM O=C([O-])c1ccoc1CSc1cc2c(cc1Cl)OCCO2 ZINC000740253031 600056759 /nfs/dbraw/zinc/05/67/59/600056759.db2.gz QMUDXWFBPIXGTO-UHFFFAOYSA-N -1 0 326.757 3.695 20 0 EHADRM O=C([O-])c1cc(F)ccc1CSc1n[nH]c(-c2ccccc2F)n1 ZINC000740078886 600058266 /nfs/dbraw/zinc/05/82/66/600058266.db2.gz VYNGGTPWNKXZHH-UHFFFAOYSA-N -1 0 347.346 3.740 20 0 EHADRM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000739553124 600059252 /nfs/dbraw/zinc/05/92/52/600059252.db2.gz MPTNWYAHYPVVDY-KGLIPLIRSA-N -1 0 338.388 3.623 20 0 EHADRM O=C([O-])c1ccc(OC(=O)c2cnc(-c3ccco3)s2)c(Cl)c1 ZINC000740159739 600060927 /nfs/dbraw/zinc/06/09/27/600060927.db2.gz BMTYETGVZVQLTC-UHFFFAOYSA-N -1 0 349.751 3.974 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C(C)(C)c1ccccc1Cl ZINC000262057945 600061482 /nfs/dbraw/zinc/06/14/82/600061482.db2.gz GOLVMXGFWNMQQT-UHFFFAOYSA-N -1 0 345.826 3.974 20 0 EHADRM CC[C@H](CC(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000236939523 600061948 /nfs/dbraw/zinc/06/19/48/600061948.db2.gz BJOPXJDWBXYKCF-CQSZACIVSA-N -1 0 327.380 3.672 20 0 EHADRM Cc1ccccc1CCC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000237722633 600063097 /nfs/dbraw/zinc/06/30/97/600063097.db2.gz ODHBHMUCKJPKEB-UHFFFAOYSA-N -1 0 343.448 3.884 20 0 EHADRM Cc1cccc2[nH]cc(CC(=O)Nc3ccc(F)c(NC(=O)[O-])c3)c21 ZINC000738746277 600063522 /nfs/dbraw/zinc/06/35/22/600063522.db2.gz HGUSPYBDCADOMB-UHFFFAOYSA-N -1 0 341.342 3.887 20 0 EHADRM CCC(CC)(C(=O)NCCC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000262229261 600069597 /nfs/dbraw/zinc/06/95/97/600069597.db2.gz MTDKKGYYTMGSFW-UHFFFAOYSA-N -1 0 332.227 3.642 20 0 EHADRM C/C(=C\C(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccccc1Cl ZINC000736122295 600070158 /nfs/dbraw/zinc/07/01/58/600070158.db2.gz ZCKLXQOFTBBQSJ-FMIVXFBMSA-N -1 0 345.782 3.845 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2Cn1ccc(-c2ccsc2)n1 ZINC000740240704 600074905 /nfs/dbraw/zinc/07/49/05/600074905.db2.gz BXABBNBQPQPDGF-UHFFFAOYSA-N -1 0 339.420 3.720 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[O-])cc1 ZINC000737229047 600075386 /nfs/dbraw/zinc/07/53/86/600075386.db2.gz HVIKBPXAJFUKAL-SWLSCSKDSA-N -1 0 338.473 3.658 20 0 EHADRM Cc1cc(NCc2c3ccccc3sc2C(=O)[O-])ccc1C(N)=O ZINC000738462723 600081655 /nfs/dbraw/zinc/08/16/55/600081655.db2.gz VDIBAWMDEDIXDM-UHFFFAOYSA-N -1 0 340.404 3.619 20 0 EHADRM CCSc1cc(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)ccn1 ZINC000737230746 600086146 /nfs/dbraw/zinc/08/61/46/600086146.db2.gz BTXPWTIUFWVEON-UHFFFAOYSA-N -1 0 335.360 3.675 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)[C@@H]2Cc3ccccc3S2)ccc1F ZINC000740005203 600088343 /nfs/dbraw/zinc/08/83/43/600088343.db2.gz DYMVRNOFMGKXCO-AWEZNQCLSA-N -1 0 332.356 3.571 20 0 EHADRM CCc1cccc2c(CC(=O)O[C@@H](C)c3ccc(C(=O)[O-])o3)c[nH]c21 ZINC000737270770 600089380 /nfs/dbraw/zinc/08/93/80/600089380.db2.gz YHERABJBUIKADK-NSHDSACASA-N -1 0 341.363 3.868 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)Cc2ccc3c(c2)CCC3)ccc1F ZINC000740005219 600089516 /nfs/dbraw/zinc/08/95/16/600089516.db2.gz KTHCHGYEUQZSBN-UHFFFAOYSA-N -1 0 328.343 3.586 20 0 EHADRM CCOc1cc(NC(=O)c2[nH]c(CC)c(C(=O)[O-])c2C)ccc1C ZINC000737191976 600091585 /nfs/dbraw/zinc/09/15/85/600091585.db2.gz MKZIKMKXVJQJCY-UHFFFAOYSA-N -1 0 330.384 3.543 20 0 EHADRM Cc1cc(CN2CCO[C@H](c3ccccc3Cl)C2)oc1C(=O)[O-] ZINC000652409684 600102043 /nfs/dbraw/zinc/10/20/43/600102043.db2.gz IIPVAVRQTZELLT-HNNXBMFYSA-N -1 0 335.787 3.513 20 0 EHADRM Cc1nc2ccc(-c3nc(-c4ccc(C(=O)[O-])cc4)no3)cc2nc1C ZINC000738874260 600110418 /nfs/dbraw/zinc/11/04/18/600110418.db2.gz HSMKQUXDPQOMEL-UHFFFAOYSA-N -1 0 346.346 3.662 20 0 EHADRM CC(C)(C)c1nc(Cc2nc(-c3ccc(C(=O)[O-])cc3)no2)cs1 ZINC000736302672 600110438 /nfs/dbraw/zinc/11/04/38/600110438.db2.gz BCNWFGKSAISTIF-UHFFFAOYSA-N -1 0 343.408 3.780 20 0 EHADRM O=C([O-])c1ccc(-c2noc(CCn3ccc4ccccc43)n2)cc1 ZINC000740101925 600110926 /nfs/dbraw/zinc/11/09/26/600110926.db2.gz YKEQPADFYNFGOR-UHFFFAOYSA-N -1 0 333.347 3.632 20 0 EHADRM Cc1cc(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)nn1-c1ccccc1 ZINC000738313686 600112718 /nfs/dbraw/zinc/11/27/18/600112718.db2.gz FHJUFORIDDGNAW-UHFFFAOYSA-N -1 0 346.346 3.596 20 0 EHADRM CSCc1ccc(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)cc1 ZINC000738194557 600114772 /nfs/dbraw/zinc/11/47/72/600114772.db2.gz DNZFZTUSKXALEO-UHFFFAOYSA-N -1 0 326.377 3.965 20 0 EHADRM Cc1cccc2[nH]cc(Cc3nc(-c4ccc(C(=O)[O-])cc4)no3)c21 ZINC000738747754 600114978 /nfs/dbraw/zinc/11/49/78/600114978.db2.gz JMQUMMYWXDGFFU-UHFFFAOYSA-N -1 0 333.347 3.815 20 0 EHADRM Cc1ccccc1C(C)(C)C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000738755645 600116702 /nfs/dbraw/zinc/11/67/02/600116702.db2.gz AUFYHPRTNDZXTE-UHFFFAOYSA-N -1 0 330.355 3.853 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)C(C)(C)c1ccccc1Cl ZINC000738964386 600117949 /nfs/dbraw/zinc/11/79/49/600117949.db2.gz TVKMBRXFVGNRJJ-UHFFFAOYSA-N -1 0 336.771 3.961 20 0 EHADRM CC(C)(C)c1cc(NC(=O)c2ccc(C(=O)[O-])s2)n(C(C)(C)C)n1 ZINC000736295137 600119670 /nfs/dbraw/zinc/11/96/70/600119670.db2.gz USXRSPRKHZFMGW-UHFFFAOYSA-N -1 0 349.456 3.948 20 0 EHADRM CC[C@](NC(=O)CCCc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000485383734 600129833 /nfs/dbraw/zinc/12/98/33/600129833.db2.gz VDVNCQUNWXKXLS-HXUWFJFHSA-N -1 0 325.408 3.516 20 0 EHADRM CC[C@](NC(=O)c1ccc(Cl)cc1F)(C(=O)[O-])c1ccccc1 ZINC000485376528 600132980 /nfs/dbraw/zinc/13/29/80/600132980.db2.gz PQCNDVAPGDYKNM-QGZVFWFLSA-N -1 0 335.762 3.599 20 0 EHADRM Cc1cc(C)c(C)c(OCCC(=O)Nc2ccsc2C(=O)[O-])c1 ZINC000738356027 600143931 /nfs/dbraw/zinc/14/39/31/600143931.db2.gz PWCPBJIRIQERMX-UHFFFAOYSA-N -1 0 333.409 3.779 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)ccc1C(=O)[O-] ZINC000738421980 600148288 /nfs/dbraw/zinc/14/82/88/600148288.db2.gz ISNQRRWNYKZQQN-ZWKOTPCHSA-N -1 0 338.407 3.501 20 0 EHADRM Cc1ccc2oc(C(=O)Nc3cc(C(=O)[O-])ccc3Cl)cc2n1 ZINC000738680520 600151642 /nfs/dbraw/zinc/15/16/42/600151642.db2.gz MCMDOPQDJSYPAA-UHFFFAOYSA-N -1 0 330.727 3.740 20 0 EHADRM Cc1ccc2c(CNc3ccc(F)c(NC(=O)[O-])c3)cc(=O)oc2c1 ZINC000738663827 600155698 /nfs/dbraw/zinc/15/56/98/600155698.db2.gz FGRRUMBSNGLQGZ-UHFFFAOYSA-N -1 0 342.326 3.943 20 0 EHADRM CC(C)(NC(=O)[O-])C(=O)Nc1ccc(CCCc2ccccc2)cc1 ZINC000736337483 600160497 /nfs/dbraw/zinc/16/04/97/600160497.db2.gz QLSKECNHLWAJHQ-UHFFFAOYSA-N -1 0 340.423 3.847 20 0 EHADRM CC(C)c1ccc(-c2nc(C(=O)N(C)C(C)(C)C(=O)[O-])cs2)cc1 ZINC000262381510 600165733 /nfs/dbraw/zinc/16/57/33/600165733.db2.gz CQWWSAUPLSJNEJ-UHFFFAOYSA-N -1 0 346.452 3.869 20 0 EHADRM Cc1ccccc1OCCCC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000324778817 600167521 /nfs/dbraw/zinc/16/75/21/600167521.db2.gz HBWOZULHXCABKR-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CSc2ccc3c(c2)CCC3)c(F)c1 ZINC000325014213 600167615 /nfs/dbraw/zinc/16/76/15/600167615.db2.gz GICPUUPQMKCPGT-UHFFFAOYSA-N -1 0 345.395 3.743 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(Br)cc2)c(F)c1 ZINC000063008771 600168028 /nfs/dbraw/zinc/16/80/28/600168028.db2.gz PFJMTEGNWHRCAE-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM Cc1cc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)c(C(=O)[O-])[nH]1 ZINC000738448947 600168482 /nfs/dbraw/zinc/16/84/82/600168482.db2.gz RTHHBCDPSDGTRV-UHFFFAOYSA-N -1 0 328.299 3.673 20 0 EHADRM Cc1ccc([C@H](CNC(=O)Nc2ccc(C)c(Cl)c2)C(=O)[O-])cc1 ZINC000738563266 600173297 /nfs/dbraw/zinc/17/32/97/600173297.db2.gz ZCLPNUOFOOCOFX-HNNXBMFYSA-N -1 0 346.814 3.947 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N(Cc2ccc(F)cc2)CC2CC2)cc1 ZINC000738684091 600180208 /nfs/dbraw/zinc/18/02/08/600180208.db2.gz RPGLAVSPQGYSBH-UHFFFAOYSA-N -1 0 342.370 3.968 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)Oc1ccc(C(=O)[O-])cc1OC ZINC000736929742 600189838 /nfs/dbraw/zinc/18/98/38/600189838.db2.gz UGAIKJSPBHFNMY-INIZCTEOSA-N -1 0 346.404 3.870 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000358610243 600194130 /nfs/dbraw/zinc/19/41/30/600194130.db2.gz PXMMZGZKYBMGSF-OHFALNGGSA-N -1 0 347.480 3.659 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000479540772 600199511 /nfs/dbraw/zinc/19/95/11/600199511.db2.gz KLSAIYKUWUGYCX-NSHDSACASA-N -1 0 333.384 3.891 20 0 EHADRM CC(C)c1cccc(OCC(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC000325063714 600199994 /nfs/dbraw/zinc/19/99/94/600199994.db2.gz YCVZHQAPPHYVRS-UHFFFAOYSA-N -1 0 331.343 3.665 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2cc(-c3ccccc3)[nH]n2)c1 ZINC000325513199 600202085 /nfs/dbraw/zinc/20/20/85/600202085.db2.gz OHLJFCNCQZPNLK-UHFFFAOYSA-N -1 0 341.754 3.681 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000237637942 600206134 /nfs/dbraw/zinc/20/61/34/600206134.db2.gz YHGFHOBEJCCMMO-OAHLLOKOSA-N -1 0 325.408 3.546 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)C[C@@H](C)c2cccc(F)c2)c1 ZINC000737939285 600206258 /nfs/dbraw/zinc/20/62/58/600206258.db2.gz AFXZZNXILLOZEX-LLVKDONJSA-N -1 0 332.327 3.632 20 0 EHADRM C[C@@H](CC(=O)N(CCC(=O)[O-])Cc1ccccc1)c1cccc(F)c1 ZINC000675945641 600206367 /nfs/dbraw/zinc/20/63/67/600206367.db2.gz XPQHHJJDGLDJJY-HNNXBMFYSA-N -1 0 343.398 3.823 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)c(C(=O)[O-])c1 ZINC000544406805 600207099 /nfs/dbraw/zinc/20/70/99/600207099.db2.gz GGXNAWWFSYJCBZ-GHMZBOCLSA-N -1 0 331.318 3.714 20 0 EHADRM O=C([O-])CCC(=O)N[C@@H](c1ccccc1)c1cccc2ccccc21 ZINC000517908467 600207297 /nfs/dbraw/zinc/20/72/97/600207297.db2.gz ZDIHMUOPJQFWPO-NRFANRHFSA-N -1 0 333.387 3.910 20 0 EHADRM CCc1ccccc1NC(=O)CNc1cc(Cl)cc(C(=O)[O-])c1 ZINC000737274210 600207608 /nfs/dbraw/zinc/20/76/08/600207608.db2.gz KLWRSMQHDPJNKG-UHFFFAOYSA-N -1 0 332.787 3.651 20 0 EHADRM CN(CC(=O)N[C@@H](c1ccccc1)c1cccc2ccccc21)C(=O)[O-] ZINC000737392698 600207886 /nfs/dbraw/zinc/20/78/86/600207886.db2.gz CTLGIIRSCKVRQH-FQEVSTJZSA-N -1 0 348.402 3.655 20 0 EHADRM CN(CCCC(=O)Nc1ccc(OC2CCCCC2)cc1)C(=O)[O-] ZINC000737429678 600208930 /nfs/dbraw/zinc/20/89/30/600208930.db2.gz MZYKESRZARRGOM-UHFFFAOYSA-N -1 0 334.416 3.727 20 0 EHADRM O=C([O-])c1ccc(NC(=O)/C=C\c2ccsc2)c(OC(F)F)c1 ZINC000739216845 600210251 /nfs/dbraw/zinc/21/02/51/600210251.db2.gz RZFCFSINJOXCNW-RJRFIUFISA-N -1 0 339.319 3.700 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc(F)c2F)c(OC(F)F)c1 ZINC000740156142 600212588 /nfs/dbraw/zinc/21/25/88/600212588.db2.gz FVVCLMVRWGMZJL-UHFFFAOYSA-N -1 0 343.232 3.517 20 0 EHADRM C[C@H](CC(=O)N1C[C@H](C(=O)[O-])c2ccccc21)c1ccccc1F ZINC000192935216 600214927 /nfs/dbraw/zinc/21/49/27/600214927.db2.gz MTKFUFPQERQDBL-DOMZBBRYSA-N -1 0 327.355 3.534 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)Nc2ccc(-n3cccn3)cc2)c1 ZINC000740043793 600227295 /nfs/dbraw/zinc/22/72/95/600227295.db2.gz XRUUOWOPOXYOJP-UHFFFAOYSA-N -1 0 337.339 3.606 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000736492867 600233185 /nfs/dbraw/zinc/23/31/85/600233185.db2.gz LEMOPZOEPIIWDS-UHFFFAOYSA-N -1 0 332.331 3.955 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(CC(=O)[O-])cc2)o1 ZINC000738584488 600241531 /nfs/dbraw/zinc/24/15/31/600241531.db2.gz XMGUNUWVUCSLSE-HNNXBMFYSA-N -1 0 328.368 3.584 20 0 EHADRM Cc1cc(NC(=O)Cc2cc(Cl)ccc2Cl)c(C(=O)[O-])[nH]1 ZINC000738432111 600256082 /nfs/dbraw/zinc/25/60/82/600256082.db2.gz WZQOYWUIIUQZPV-UHFFFAOYSA-N -1 0 327.167 3.509 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N3C[C@@H](C(=O)[O-])c4ccccc43)cc2c1C ZINC000192956163 600257075 /nfs/dbraw/zinc/25/70/75/600257075.db2.gz JWQAPJQSUVVLOC-OAHLLOKOSA-N -1 0 334.375 3.613 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C)Oc2cccc(C(C)C)c2)c(C(=O)[O-])[nH]1 ZINC000738418046 600257397 /nfs/dbraw/zinc/25/73/97/600257397.db2.gz NBHAOTVDTDSUCC-GFCCVEGCSA-N -1 0 330.384 3.551 20 0 EHADRM CC(C)OC(=O)NCc1ccc(NCc2cccc(C(=O)[O-])c2)cc1 ZINC000736485338 600260731 /nfs/dbraw/zinc/26/07/31/600260731.db2.gz RYWFBAHXNHINMR-UHFFFAOYSA-N -1 0 342.395 3.632 20 0 EHADRM CC(C)c1ccc(CCCNC(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000736513490 600265590 /nfs/dbraw/zinc/26/55/90/600265590.db2.gz FAAHWPYDZRREBQ-UHFFFAOYSA-N -1 0 344.411 3.533 20 0 EHADRM CC(C)(NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1cccs1 ZINC000736324913 600268895 /nfs/dbraw/zinc/26/88/95/600268895.db2.gz QXEWJMUWKDDOJE-UHFFFAOYSA-N -1 0 340.351 3.781 20 0 EHADRM Cc1c(Cl)cccc1OCC(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000738290866 600271029 /nfs/dbraw/zinc/27/10/29/600271029.db2.gz LPGOVAKOWHDWBQ-SNVBAGLBSA-N -1 0 338.743 3.623 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(C(=O)c1ccccc1Cc1ccccc1)CC2 ZINC000262482803 600272087 /nfs/dbraw/zinc/27/20/87/600272087.db2.gz UXUVDGCZQKYORM-IBGZPJMESA-N -1 0 349.430 3.604 20 0 EHADRM CC(C)[C@@H](CC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccccc1 ZINC000262477637 600272472 /nfs/dbraw/zinc/27/24/72/600272472.db2.gz TWYLVPVVLDOEMJ-IAGOWNOFSA-N -1 0 329.440 3.530 20 0 EHADRM O=C([O-])CN(CCc1ccc(Cl)cc1Cl)Cc1cscn1 ZINC000739794119 600273642 /nfs/dbraw/zinc/27/36/42/600273642.db2.gz SNAMTTDBJXGRJV-UHFFFAOYSA-N -1 0 345.251 3.579 20 0 EHADRM COc1ccc(C=O)cc1CSc1nc2ccc(C(=O)[O-])cc2o1 ZINC000737981383 600276705 /nfs/dbraw/zinc/27/67/05/600276705.db2.gz FMCPOIYWDOSUMK-UHFFFAOYSA-N -1 0 343.360 3.639 20 0 EHADRM O=C([O-])c1sc(N[C@@H](c2ccccc2)[C@H]2CCCO2)nc1Cl ZINC000740280280 600282527 /nfs/dbraw/zinc/28/25/27/600282527.db2.gz VLEQSWQAGDBKPR-MNOVXSKESA-N -1 0 338.816 3.827 20 0 EHADRM CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C1(C)C ZINC000736344282 600287665 /nfs/dbraw/zinc/28/76/65/600287665.db2.gz YGHYLGKMKHIMDT-JKSUJKDBSA-N -1 0 330.428 3.973 20 0 EHADRM COc1ccc([C@H](C)C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cc1 ZINC000737946478 600288050 /nfs/dbraw/zinc/28/80/50/600288050.db2.gz AUKASNLTAWLBJB-ZDUSSCGKSA-N -1 0 342.395 3.547 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736903991 600288807 /nfs/dbraw/zinc/28/88/07/600288807.db2.gz NINPBBDFXJYMPV-MRXNPFEDSA-N -1 0 326.396 3.662 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2Cc1cc2ccccc2[nH]c1=O ZINC000740242128 600291676 /nfs/dbraw/zinc/29/16/76/600291676.db2.gz NPZAFBXUSOUTIR-UHFFFAOYSA-N -1 0 334.375 3.591 20 0 EHADRM CC[C@@](NCc1cc(-c2cccs2)on1)(C(=O)[O-])c1ccccc1 ZINC000736914973 600305697 /nfs/dbraw/zinc/30/56/97/600305697.db2.gz AJDMPZIYZPALHG-SFHVURJKSA-N -1 0 342.420 3.883 20 0 EHADRM CN(Cc1ccc(NC(=O)c2nccc3ccccc32)cc1)C(=O)[O-] ZINC000737485899 600306729 /nfs/dbraw/zinc/30/67/29/600306729.db2.gz KSDREBLNFXIMOS-UHFFFAOYSA-N -1 0 335.363 3.597 20 0 EHADRM CCOc1ccc(OCCNc2ccc(CN(C)C(=O)[O-])cc2)cc1 ZINC000737204272 600315144 /nfs/dbraw/zinc/31/51/44/600315144.db2.gz XESNFHMTRJIOQA-UHFFFAOYSA-N -1 0 344.411 3.686 20 0 EHADRM CCSc1cccc(NC(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000737229033 600316128 /nfs/dbraw/zinc/31/61/28/600316128.db2.gz HEIRGDWABOHARY-UHFFFAOYSA-N -1 0 330.409 3.819 20 0 EHADRM Cc1ccc(O[C@H](C)C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000738639378 600324680 /nfs/dbraw/zinc/32/46/80/600324680.db2.gz QUOMRJHFOKSOBN-MLGOLLRUSA-N -1 0 348.782 3.785 20 0 EHADRM CC(=O)c1cccc(NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)c1 ZINC000736196919 600328654 /nfs/dbraw/zinc/32/86/54/600328654.db2.gz QHFJYDYKHIASTL-UHFFFAOYSA-N -1 0 341.367 3.643 20 0 EHADRM COc1ccc(Cl)cc1NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000738016811 600334225 /nfs/dbraw/zinc/33/42/25/600334225.db2.gz VCVHAUQARRUIAN-UHFFFAOYSA-N -1 0 349.774 3.760 20 0 EHADRM CN(C)c1ccc(NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cc1 ZINC000737480418 600334648 /nfs/dbraw/zinc/33/46/48/600334648.db2.gz NRMZKLWCKFBFCW-UHFFFAOYSA-N -1 0 342.399 3.506 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N(CCc2cccc(F)c2)C2CC2)cc1 ZINC000738682973 600336020 /nfs/dbraw/zinc/33/60/20/600336020.db2.gz HNNGWLHOANOKLV-UHFFFAOYSA-N -1 0 342.370 3.763 20 0 EHADRM CC1(C)CO[C@@H](c2ccccc2Cl)CN1Cc1cc(C(=O)[O-])co1 ZINC000736736239 600336069 /nfs/dbraw/zinc/33/60/69/600336069.db2.gz AHSMWURUKKTGMW-MRXNPFEDSA-N -1 0 349.814 3.983 20 0 EHADRM CCc1ccc(CNC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)s1 ZINC000737264752 600347106 /nfs/dbraw/zinc/34/71/06/600347106.db2.gz KDVIFUJSXVGNTL-UHFFFAOYSA-N -1 0 347.440 3.742 20 0 EHADRM CCCC[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736984903 600351358 /nfs/dbraw/zinc/35/13/58/600351358.db2.gz LOUHEUZFLZFSIM-HOCLYGCPSA-N -1 0 333.432 3.935 20 0 EHADRM Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1cccc(C(=O)[O-])c1)CCC2 ZINC000738872552 600356052 /nfs/dbraw/zinc/35/60/52/600356052.db2.gz HVLSJWOQKYRSBD-AWEZNQCLSA-N -1 0 345.424 3.691 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000339351023 600367738 /nfs/dbraw/zinc/36/77/38/600367738.db2.gz IOPDJQGNGKEFDH-ZIBATOQPSA-N -1 0 345.361 3.815 20 0 EHADRM Cc1cc(NC(=O)[C@]2(C)CCCc3ccccc32)sc1C(=O)[O-] ZINC000738423552 600368985 /nfs/dbraw/zinc/36/89/85/600368985.db2.gz XMMNQPVGVZCQPD-GOSISDBHSA-N -1 0 329.421 3.987 20 0 EHADRM Cc1cc(NC(=O)Cc2cc(-c3ccccc3)on2)sc1C(=O)[O-] ZINC000738237302 600370014 /nfs/dbraw/zinc/37/00/14/600370014.db2.gz DWVFFZZNHCWGSE-UHFFFAOYSA-N -1 0 342.376 3.591 20 0 EHADRM Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(N(C)C)cc2)sc1C(=O)[O-] ZINC000738234095 600370084 /nfs/dbraw/zinc/37/00/84/600370084.db2.gz GZVCVRYTOCHMBM-KGLIPLIRSA-N -1 0 344.436 3.563 20 0 EHADRM CCn1cc(CC(=O)Nc2cc(C)c(C(=O)[O-])s2)c2ccccc21 ZINC000737300750 600370387 /nfs/dbraw/zinc/37/03/87/600370387.db2.gz DIGYCBKBDFWHBG-UHFFFAOYSA-N -1 0 342.420 3.911 20 0 EHADRM CCc1c(C(=O)Nc2cc(C)c(C(=O)[O-])s2)cnn1C(C)(C)C ZINC000737247644 600370395 /nfs/dbraw/zinc/37/03/95/600370395.db2.gz MPHYXCQMAKIFBJ-UHFFFAOYSA-N -1 0 335.429 3.521 20 0 EHADRM Cc1cc(NC(=O)Cc2ccc(OCC(C)C)cc2)sc1C(=O)[O-] ZINC000738431849 600372034 /nfs/dbraw/zinc/37/20/34/600372034.db2.gz RWLBTCCCYFADRY-UHFFFAOYSA-N -1 0 347.436 3.971 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)CC/C=C/c1ccccc1 ZINC000237751910 600375765 /nfs/dbraw/zinc/37/57/65/600375765.db2.gz OQAKWMQTHVPXAX-WEVVVXLNSA-N -1 0 339.391 3.891 20 0 EHADRM C[C@H](C(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1)c1cccs1 ZINC000262430098 600375773 /nfs/dbraw/zinc/37/57/73/600375773.db2.gz RXNBHVLHFXBSSS-NSHDSACASA-N -1 0 337.828 3.618 20 0 EHADRM CC[C@@H](CC(=O)N[C@H](C(=O)[O-])c1ccccc1)c1ccc(C)cc1 ZINC000236929876 600376191 /nfs/dbraw/zinc/37/61/91/600376191.db2.gz CTIHCSVPGXUKLP-KXBFYZLASA-N -1 0 325.408 3.821 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)Oc1ccc(Cl)cc1C(=O)[O-] ZINC000736628933 600376294 /nfs/dbraw/zinc/37/62/94/600376294.db2.gz HFJNBCUWUYGVBJ-SNVBAGLBSA-N -1 0 336.746 3.962 20 0 EHADRM Cc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccc(C(=O)[O-])cc1)CCC2 ZINC000738366437 600379536 /nfs/dbraw/zinc/37/95/36/600379536.db2.gz ZKFFNBDCWIUHNU-CQSZACIVSA-N -1 0 345.424 3.691 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)s1 ZINC000238037449 600380503 /nfs/dbraw/zinc/38/05/03/600380503.db2.gz DDOVJVNLASYRPG-KBPBESRZSA-N -1 0 329.421 3.588 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)/C=C\C1CCCCC1 ZINC000737871178 600381473 /nfs/dbraw/zinc/38/14/73/600381473.db2.gz IPZAUQADKBQZPH-QAHSQZNUSA-N -1 0 330.380 3.835 20 0 EHADRM O=C(/C=C\C1CCCCC1)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC000739210443 600381736 /nfs/dbraw/zinc/38/17/36/600381736.db2.gz RTIQZXUXIZCQDZ-SREVYHEPSA-N -1 0 345.424 3.911 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@@H]2CCCc3ccccc32)ccc1F ZINC000392048614 600381797 /nfs/dbraw/zinc/38/17/97/600381797.db2.gz ODXWPCWGNLMJRZ-MRXNPFEDSA-N -1 0 328.343 3.723 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)c1cc2cc(F)ccc2o1 ZINC000740241495 600381830 /nfs/dbraw/zinc/38/18/30/600381830.db2.gz JCMXHKNZLFPXPL-UHFFFAOYSA-N -1 0 339.322 3.863 20 0 EHADRM Cc1ccc(NC(=O)C[C@@H]2CCOc3ccccc32)c(C(=O)[O-])c1 ZINC000543446125 600382268 /nfs/dbraw/zinc/38/22/68/600382268.db2.gz BAVKHJLLSZOKTP-ZDUSSCGKSA-N -1 0 325.364 3.588 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1csc(C2CC2)n1)c1ccccc1 ZINC000736850208 600383717 /nfs/dbraw/zinc/38/37/17/600383717.db2.gz DMXLLNJLFIFMHE-CQSZACIVSA-N -1 0 330.409 3.531 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CCC[C@@H]2c2ccsc2)ccc1F ZINC000740089998 600384842 /nfs/dbraw/zinc/38/48/42/600384842.db2.gz IFPRUANWLNAGHH-CQSZACIVSA-N -1 0 334.372 3.954 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1ccc(SC)cc1)c1ccccc1 ZINC000736852366 600384928 /nfs/dbraw/zinc/38/49/28/600384928.db2.gz WVABVUNEKMUPOC-MRXNPFEDSA-N -1 0 329.421 3.919 20 0 EHADRM O=C([O-])c1cc(NC(=O)N(Cc2cccc(F)c2)C2CC2)ccc1F ZINC000740082095 600386152 /nfs/dbraw/zinc/38/61/52/600386152.db2.gz USKRPKGLLCRLSX-UHFFFAOYSA-N -1 0 346.333 3.860 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000736648563 600388318 /nfs/dbraw/zinc/38/83/18/600388318.db2.gz GDCLWYWEGHTNTB-MRVPVSSYSA-N -1 0 338.285 3.685 20 0 EHADRM C[C@@H](CCNC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccccc1 ZINC000324650667 600388479 /nfs/dbraw/zinc/38/84/79/600388479.db2.gz CCNPYDACUTWHKW-LBPRGKRZSA-N -1 0 330.359 3.839 20 0 EHADRM CCN(CCc1cccs1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000737102154 600389946 /nfs/dbraw/zinc/38/99/46/600389946.db2.gz ULUVJRVLIFHVBB-UHFFFAOYSA-N -1 0 336.388 3.682 20 0 EHADRM CN(Cc1cc(Br)cs1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000042399766 600397240 /nfs/dbraw/zinc/39/72/40/600397240.db2.gz GXLKZOXLPRUBSJ-CYBMUJFWSA-N -1 0 340.242 3.768 20 0 EHADRM CCN(Cc1ccccc1C)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000737104347 600397477 /nfs/dbraw/zinc/39/74/77/600397477.db2.gz RNEPASBMKDDJRC-UHFFFAOYSA-N -1 0 330.359 3.886 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)Nc2ccc(C(=O)[O-])cc2F)s1 ZINC000343100372 600408887 /nfs/dbraw/zinc/40/88/87/600408887.db2.gz CAQLWLVDVYVDEB-UHFFFAOYSA-N -1 0 345.298 3.748 20 0 EHADRM Cc1[nH]c(C(=O)N2C[C@@H](c3ccccc3C)C[C@@H]2C)c(C)c1C(=O)[O-] ZINC000738319071 600412051 /nfs/dbraw/zinc/41/20/51/600412051.db2.gz DTCDZSJZEUSJPC-WFASDCNBSA-N -1 0 340.423 3.656 20 0 EHADRM Cn1c2ccccc2c2cc(C(=O)NC(C)(C)CCC(=O)[O-])sc21 ZINC000739014210 600416420 /nfs/dbraw/zinc/41/64/20/600416420.db2.gz LJSMLVDSFRPQQO-UHFFFAOYSA-N -1 0 344.436 3.766 20 0 EHADRM O=C([O-])[C@H](Nc1ccc(NC(=O)C2CC2)cc1)c1cccc(Cl)c1 ZINC000739474237 600419891 /nfs/dbraw/zinc/41/98/91/600419891.db2.gz COINTOBVFSNGKM-MRXNPFEDSA-N -1 0 344.798 3.926 20 0 EHADRM CCC(=O)Nc1ccc(N[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000736847669 600424518 /nfs/dbraw/zinc/42/45/18/600424518.db2.gz MOPLLOZSUXGKRD-MRXNPFEDSA-N -1 0 332.787 3.926 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000237549986 600427183 /nfs/dbraw/zinc/42/71/83/600427183.db2.gz STTDXYXZDYOQGW-CQSZACIVSA-N -1 0 343.448 3.822 20 0 EHADRM Cc1ccnc(-c2ccc(N[C@@H](C(=O)[O-])c3ccc(F)cc3)cc2)n1 ZINC000738791905 600439226 /nfs/dbraw/zinc/43/92/26/600439226.db2.gz HEUXFKPSJOJYCI-QGZVFWFLSA-N -1 0 337.354 3.829 20 0 EHADRM Cc1ccc2cc(C(=O)O[C@@H](C(=O)[O-])c3ccc(F)cc3)[nH]c2c1 ZINC000738675363 600442476 /nfs/dbraw/zinc/44/24/76/600442476.db2.gz LOXQRWOJAXLQEG-MRXNPFEDSA-N -1 0 327.311 3.598 20 0 EHADRM CCc1ccc(CCC(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000737260253 600445026 /nfs/dbraw/zinc/44/50/26/600445026.db2.gz HOLMMWCTNIANAV-GOSISDBHSA-N -1 0 330.355 3.690 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)OCc2cc(C(=O)[O-])oc2C)s1 ZINC000738465585 600454963 /nfs/dbraw/zinc/45/49/63/600454963.db2.gz UHXQBNNUJVCPRI-UHFFFAOYSA-N -1 0 346.307 3.615 20 0 EHADRM O=C([O-])c1cc(NC(=O)NCc2coc3ccccc23)c(F)cc1F ZINC000739450071 600456046 /nfs/dbraw/zinc/45/60/46/600456046.db2.gz DKEAAYLSNKLBJS-UHFFFAOYSA-N -1 0 346.289 3.731 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1cccs1 ZINC000325907321 600456100 /nfs/dbraw/zinc/45/61/00/600456100.db2.gz YTWCPZYENNLUFE-UHFFFAOYSA-N -1 0 346.452 3.865 20 0 EHADRM C/C(=C/C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1)c1cccc(F)c1 ZINC000736120342 600456334 /nfs/dbraw/zinc/45/63/34/600456334.db2.gz GVCFZNXAJCSFHQ-FPISAVPCSA-N -1 0 332.302 3.737 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000736325161 600458337 /nfs/dbraw/zinc/45/83/37/600458337.db2.gz YFIDRYVAZAHSNE-UHFFFAOYSA-N -1 0 330.355 3.836 20 0 EHADRM C[C@H]1CCCC[C@H]1CCNC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736783924 600460072 /nfs/dbraw/zinc/46/00/72/600460072.db2.gz ZZJGFVIDHJOGMM-HOCLYGCPSA-N -1 0 347.459 3.835 20 0 EHADRM CC1CCC(=CC(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)CC1 ZINC000736764688 600467742 /nfs/dbraw/zinc/46/77/42/600467742.db2.gz VSYXOBJARIDYLO-UHFFFAOYSA-N -1 0 335.831 3.890 20 0 EHADRM O=C([O-])c1ccc(-c2noc(C[C@@H]3CCOc4ccccc43)n2)cc1 ZINC000740101948 600473227 /nfs/dbraw/zinc/47/32/27/600473227.db2.gz ZGKOISKCIHRRMJ-AWEZNQCLSA-N -1 0 336.347 3.544 20 0 EHADRM COc1cccc(NC(=S)Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000738107069 600473610 /nfs/dbraw/zinc/47/36/10/600473610.db2.gz SQPXZNRQNKMYJR-UHFFFAOYSA-N -1 0 336.800 3.856 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)[C@H]2CSc3ccccc32)cc1 ZINC000737331320 600476215 /nfs/dbraw/zinc/47/62/15/600476215.db2.gz IAELUMZGLPQJEW-AWEZNQCLSA-N -1 0 328.393 3.629 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000736904689 600477440 /nfs/dbraw/zinc/47/74/40/600477440.db2.gz XKXQBORXXGFNMQ-FUHWJXTLSA-N -1 0 325.408 3.588 20 0 EHADRM CCCCOc1ccc(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)c(C)c1 ZINC000263505150 600477726 /nfs/dbraw/zinc/47/77/26/600477726.db2.gz VISCCYFPPKSFKF-CQSZACIVSA-N -1 0 334.416 3.502 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000736904357 600478082 /nfs/dbraw/zinc/47/80/82/600478082.db2.gz UAOAIARSPGKEMO-KRWDZBQOSA-N -1 0 325.408 3.612 20 0 EHADRM Cc1ccc([C@@H](C)CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000738551631 600478254 /nfs/dbraw/zinc/47/82/54/600478254.db2.gz LWZYGCYOJUEXNA-LBPRGKRZSA-N -1 0 330.359 3.758 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccccc2OC(F)F)cc1Cl ZINC000238122655 600480198 /nfs/dbraw/zinc/48/01/98/600480198.db2.gz RCCVEVPMFSBSJN-UHFFFAOYSA-N -1 0 341.697 3.892 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)/C=C\c2cccs2)cc1 ZINC000588388183 600480854 /nfs/dbraw/zinc/48/08/54/600480854.db2.gz ZSRIFXVQHOOILO-KTKRTIGZSA-N -1 0 331.393 3.644 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1 ZINC000238025760 600483271 /nfs/dbraw/zinc/48/32/71/600483271.db2.gz UMOMXBJWRRFEHB-UHFFFAOYSA-N -1 0 338.363 3.664 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)NCCCCCCC(=O)[O-])C1 ZINC000738319910 600490386 /nfs/dbraw/zinc/49/03/86/600490386.db2.gz HWQIYKBWXBUVLA-IAGOWNOFSA-N -1 0 346.471 3.918 20 0 EHADRM CCN(Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)CC(F)(F)F ZINC000572728464 600499626 /nfs/dbraw/zinc/49/96/26/600499626.db2.gz QIHGOKMENWRWCA-UHFFFAOYSA-N -1 0 344.358 3.893 20 0 EHADRM C[C@@H](Nc1ccc(OCCCC(=O)[O-])cc1)c1nc(C(C)(C)C)no1 ZINC000736669928 600503197 /nfs/dbraw/zinc/50/31/97/600503197.db2.gz CAFSPSDKUNMYSX-GFCCVEGCSA-N -1 0 347.415 3.784 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)Nc2ccc(F)cc2)cc1 ZINC000739686303 600504278 /nfs/dbraw/zinc/50/42/78/600504278.db2.gz CIXFENWNBCCWJM-UHFFFAOYSA-N -1 0 332.331 3.713 20 0 EHADRM CN(Cc1ccc(F)cc1)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000390523376 600509605 /nfs/dbraw/zinc/50/96/05/600509605.db2.gz VCFUTJNMHVBSNZ-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000391327109 600516357 /nfs/dbraw/zinc/51/63/57/600516357.db2.gz JZDPIGPUBBWSGJ-NSHDSACASA-N -1 0 332.787 3.963 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)cc1 ZINC000739877096 600523850 /nfs/dbraw/zinc/52/38/50/600523850.db2.gz KUWMBMLQAJWOJS-UHFFFAOYSA-N -1 0 342.782 3.630 20 0 EHADRM Cc1cccc([C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000362436999 600524989 /nfs/dbraw/zinc/52/49/89/600524989.db2.gz MUUFRWMRIZOPEE-DYVFJYSZSA-N -1 0 329.371 3.570 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000736357870 600527148 /nfs/dbraw/zinc/52/71/48/600527148.db2.gz CXZBCWIENDRYMN-MSOLQXFVSA-N -1 0 337.419 3.716 20 0 EHADRM C[C@@H](NC(=O)CN(C)C(=O)[O-])c1ccccc1-c1ccc(Cl)cc1 ZINC000736641013 600529747 /nfs/dbraw/zinc/52/97/47/600529747.db2.gz QCTXHBWVPBVMRL-GFCCVEGCSA-N -1 0 346.814 3.794 20 0 EHADRM CCN(C(=O)[C@@H](C)c1ccc(OC)cc1)c1ccccc1C(=O)[O-] ZINC000737049060 600532064 /nfs/dbraw/zinc/53/20/64/600532064.db2.gz AYSZCJXDTYPNRA-ZDUSSCGKSA-N -1 0 327.380 3.550 20 0 EHADRM CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000236714091 600532692 /nfs/dbraw/zinc/53/26/92/600532692.db2.gz MUQAWWULSADWAQ-UHFFFAOYSA-N -1 0 333.771 3.834 20 0 EHADRM COc1ccccc1CC(C)(C)C(=O)OCc1cc(C(=O)[O-])oc1C ZINC000738123872 600546423 /nfs/dbraw/zinc/54/64/23/600546423.db2.gz KMLUZEILAAMWLG-UHFFFAOYSA-N -1 0 346.379 3.607 20 0 EHADRM CCN(C(=O)Nc1ccc(C(=O)[O-])cc1)[C@@H](C)c1cccc(O)c1 ZINC000737059444 600548457 /nfs/dbraw/zinc/54/84/57/600548457.db2.gz DQAWWYQEVPHUOZ-LBPRGKRZSA-N -1 0 328.368 3.705 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@H]2CCc3c2cccc3O)ccc1Cl ZINC000739469005 600549505 /nfs/dbraw/zinc/54/95/05/600549505.db2.gz SJEVVUHJBPAGNZ-AWEZNQCLSA-N -1 0 346.770 3.553 20 0 EHADRM O=C([O-])CCNC(=O)Nc1ccccc1Oc1ccc(Cl)cc1 ZINC000739742057 600551479 /nfs/dbraw/zinc/55/14/79/600551479.db2.gz SZKDXHHJQQFIIB-UHFFFAOYSA-N -1 0 334.759 3.729 20 0 EHADRM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000736784401 600551785 /nfs/dbraw/zinc/55/17/85/600551785.db2.gz IJQSVCAPCDTOME-YGRLFVJLSA-N -1 0 325.792 3.572 20 0 EHADRM C[C@H](CN(C(=O)[C@@H](C)c1c(Cl)cccc1Cl)C1CC1)C(=O)[O-] ZINC000666364251 600555036 /nfs/dbraw/zinc/55/50/36/600555036.db2.gz FPDFPGBBAQFSRD-ZJUUUORDSA-N -1 0 344.238 3.809 20 0 EHADRM Cc1cc(NC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)c(C(=O)[O-])[nH]1 ZINC000391263479 600568529 /nfs/dbraw/zinc/56/85/29/600568529.db2.gz VTYGZPQQIBJMHS-SNVBAGLBSA-N -1 0 335.791 3.900 20 0 EHADRM Cc1cccc2[nH]cc(CCNC(=O)c3ccccc3NC(=O)[O-])c21 ZINC000738746169 600578307 /nfs/dbraw/zinc/57/83/07/600578307.db2.gz FDMMMJJVETUYQQ-UHFFFAOYSA-N -1 0 337.379 3.539 20 0 EHADRM C[C@H](CC(=O)[O-])SCC(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000736551352 600582845 /nfs/dbraw/zinc/58/28/45/600582845.db2.gz JWEXTEWESFZXMU-VXGBXAGGSA-N -1 0 335.425 3.549 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1cc2occc2s1 ZINC000737879287 600584218 /nfs/dbraw/zinc/58/42/18/600584218.db2.gz PPVJPSWXOGMNCP-HYXAFXHYSA-N -1 0 344.344 3.820 20 0 EHADRM CN(C(=O)c1cc(F)c(F)cc1Cl)[C@H](C(=O)[O-])c1ccccc1 ZINC000737334080 600590784 /nfs/dbraw/zinc/59/07/84/600590784.db2.gz QYNNISSGGWBKAP-AWEZNQCLSA-N -1 0 339.725 3.516 20 0 EHADRM Cc1ccc(CCC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)cc1Cl ZINC000738589010 600591053 /nfs/dbraw/zinc/59/10/53/600591053.db2.gz JPRWMVWLTSSJLY-SFHVURJKSA-N -1 0 345.826 3.865 20 0 EHADRM C/C(=C\C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1 ZINC000736116647 600591105 /nfs/dbraw/zinc/59/11/05/600591105.db2.gz CVMBROMRQKIIDV-QFQMRYFISA-N -1 0 327.355 3.513 20 0 EHADRM C[C@@H](CC(=O)[O-])SCC(=O)Nc1ccccc1Cc1ccccc1 ZINC000736551134 600594519 /nfs/dbraw/zinc/59/45/19/600594519.db2.gz AJDCKUJEFBKRJD-AWEZNQCLSA-N -1 0 343.448 3.812 20 0 EHADRM C[C@H](CC(=O)[O-])S[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000736553370 600595194 /nfs/dbraw/zinc/59/51/94/600595194.db2.gz SAQKBSGRYMDIPY-HTQZYQBOSA-N -1 0 336.240 3.917 20 0 EHADRM C[C@@H](CC(=O)[O-])S[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000736553373 600595341 /nfs/dbraw/zinc/59/53/41/600595341.db2.gz SAQKBSGRYMDIPY-YUMQZZPRSA-N -1 0 336.240 3.917 20 0 EHADRM C/C(=C/C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1)c1cccc(F)c1 ZINC000736118900 600596073 /nfs/dbraw/zinc/59/60/73/600596073.db2.gz ZAXWDFTXBFKULC-LVWOJMJRSA-N -1 0 327.355 3.513 20 0 EHADRM CN(C(=O)Cc1ccc2ccccc2c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737326016 600597321 /nfs/dbraw/zinc/59/73/21/600597321.db2.gz RZWFSEQURBZPQQ-HXUWFJFHSA-N -1 0 333.387 3.667 20 0 EHADRM Cc1ccc(SCCC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000738667915 600597863 /nfs/dbraw/zinc/59/78/63/600597863.db2.gz LEKUXXZUEVGYGE-SFHVURJKSA-N -1 0 343.448 3.762 20 0 EHADRM C[C@H]1CCc2c(C(=O)N(C)[C@H](C(=O)[O-])c3ccccc3)csc2C1 ZINC000736803439 600602283 /nfs/dbraw/zinc/60/22/83/600602283.db2.gz VWWDAFDZSNEZNZ-SJCJKPOMSA-N -1 0 343.448 3.771 20 0 EHADRM CC(C)[C@@H](CC(=O)N(CC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000736351418 600602512 /nfs/dbraw/zinc/60/25/12/600602512.db2.gz FLJMOOVMZKQJSS-GOSISDBHSA-N -1 0 325.408 3.934 20 0 EHADRM CC(C)CCC(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000236687086 600603099 /nfs/dbraw/zinc/60/30/99/600603099.db2.gz SIYNAMDFRKJTOY-SFHVURJKSA-N -1 0 327.424 3.636 20 0 EHADRM C[C@H](CC(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-])C1CC1 ZINC000736540937 600604136 /nfs/dbraw/zinc/60/41/36/600604136.db2.gz DUGFJKLCUGQBND-KUHUBIRLSA-N -1 0 339.435 3.636 20 0 EHADRM O=C([O-])CN(C(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000739781642 600604570 /nfs/dbraw/zinc/60/45/70/600604570.db2.gz LJQUGRIFBQYMLA-UHFFFAOYSA-N -1 0 345.398 3.936 20 0 EHADRM CC/C=C(/C)C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000236902883 600605275 /nfs/dbraw/zinc/60/52/75/600605275.db2.gz FGQGBDDUHUBDEO-AGOXUQQWSA-N -1 0 325.408 3.556 20 0 EHADRM Cc1ccc(SCCC(=O)N(CC(=O)[O-])c2ccccc2)cc1 ZINC000336864862 600605476 /nfs/dbraw/zinc/60/54/76/600605476.db2.gz SGAIHZPGJUUXKH-UHFFFAOYSA-N -1 0 329.421 3.595 20 0 EHADRM C[C@H](CSCCC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000086109596 600606632 /nfs/dbraw/zinc/60/66/32/600606632.db2.gz MEWGJYDAWNUROA-MRVPVSSYSA-N -1 0 336.240 3.776 20 0 EHADRM C[C@H]1CCc2sc(C(=O)N(CC(=O)[O-])c3ccccc3)cc2C1 ZINC000320026904 600606799 /nfs/dbraw/zinc/60/67/99/600606799.db2.gz PFIKHEKHJFXCBH-LBPRGKRZSA-N -1 0 329.421 3.604 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C[C@H]1CCc2ccccc21 ZINC000676016579 600608652 /nfs/dbraw/zinc/60/86/52/600608652.db2.gz HWDVSODWFIFGPT-OAHLLOKOSA-N -1 0 339.391 3.517 20 0 EHADRM O=C([O-])c1cc(NC(=O)C[C@H]2CCc3ccccc32)c(F)cc1F ZINC000739223858 600609353 /nfs/dbraw/zinc/60/93/53/600609353.db2.gz VMACGKJAERTHBM-LLVKDONJSA-N -1 0 331.318 3.722 20 0 EHADRM O=C([O-])c1cc(Br)ccc1OCc1cccnc1Cl ZINC000740067118 600613166 /nfs/dbraw/zinc/61/31/66/600613166.db2.gz ILESOIYZAYNYFY-UHFFFAOYSA-N -1 0 342.576 3.775 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1N1CCCCC1 ZINC000738535214 600615888 /nfs/dbraw/zinc/61/58/88/600615888.db2.gz CYRTXEHYRBPYOZ-UHFFFAOYSA-N -1 0 338.407 3.936 20 0 EHADRM CCOc1cc(C(=O)N(CCC(=O)[O-])Cc2ccccc2)ccc1C ZINC000675946434 600616188 /nfs/dbraw/zinc/61/61/88/600616188.db2.gz OIKDEXOFHZCKHD-UHFFFAOYSA-N -1 0 341.407 3.511 20 0 EHADRM CC(C)c1ccc(NC(=O)[C@H]2COc3ccccc32)c(C(=O)[O-])c1 ZINC000736514551 600617472 /nfs/dbraw/zinc/61/74/72/600617472.db2.gz VXIPBDZUJDORFN-HNNXBMFYSA-N -1 0 325.364 3.623 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1coc2ccccc12)C(=O)[O-] ZINC000348410951 600617592 /nfs/dbraw/zinc/61/75/92/600617592.db2.gz SUITYTDTSPQBFH-AWEZNQCLSA-N -1 0 337.375 3.796 20 0 EHADRM CC(C)[C@H](CC1CCCCC1)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736352278 600617954 /nfs/dbraw/zinc/61/79/54/600617954.db2.gz JFGULLRZTOZZMP-DLBZAZTESA-N -1 0 335.488 3.942 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)C[C@@H]2OCCc3ccccc32)c1 ZINC000178248918 600619464 /nfs/dbraw/zinc/61/94/64/600619464.db2.gz AGXCOHIWXZLJFD-INIZCTEOSA-N -1 0 345.782 3.681 20 0 EHADRM Cc1cc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)nn1C(C)(C)C ZINC000178248752 600620428 /nfs/dbraw/zinc/62/04/28/600620428.db2.gz MQYQAOJPXCUCCV-UHFFFAOYSA-N -1 0 335.791 3.550 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2ccc(Cl)nc2Cl)c1 ZINC000236478949 600622914 /nfs/dbraw/zinc/62/29/14/600622914.db2.gz GUACWABEEXOLQP-UHFFFAOYSA-N -1 0 345.569 3.992 20 0 EHADRM CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)CCCN(C)C(=O)[O-] ZINC000736391656 600623087 /nfs/dbraw/zinc/62/30/87/600623087.db2.gz PLMMYEUYYDKQJX-INIZCTEOSA-N -1 0 340.851 3.886 20 0 EHADRM CC[C@@H](c1ccncc1)N(CC)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000736928906 600626888 /nfs/dbraw/zinc/62/68/88/600626888.db2.gz HJKRYGMTHRRNGT-INIZCTEOSA-N -1 0 345.374 3.924 20 0 EHADRM CCC[C@H](CC1CCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000736972461 600628930 /nfs/dbraw/zinc/62/89/30/600628930.db2.gz XWXGCFLQBKLELU-MSOLQXFVSA-N -1 0 331.456 3.795 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c1 ZINC000675983005 600645238 /nfs/dbraw/zinc/64/52/38/600645238.db2.gz FITJWNCVHUNOBF-CJNGLKHVSA-N -1 0 335.444 3.501 20 0 EHADRM C[C@@H]1CCC[C@H](CCNC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)C1 ZINC000326172306 600647851 /nfs/dbraw/zinc/64/78/51/600647851.db2.gz OEOBMNLALCAZPF-ZIAGYGMSSA-N -1 0 330.428 3.626 20 0 EHADRM C[C@]1(c2ccccc2)CCCN(C(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000736740928 600652771 /nfs/dbraw/zinc/65/27/71/600652771.db2.gz HOCBQKZWCMIQJW-FQEVSTJZSA-N -1 0 338.407 3.970 20 0 EHADRM O=C([O-])c1sc2ccccc2c1COC(=O)CCc1ccccn1 ZINC000833102166 600654529 /nfs/dbraw/zinc/65/45/29/600654529.db2.gz FBMRUYMFCDPRGK-UHFFFAOYSA-N -1 0 341.388 3.671 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N(Cc2ccco2)Cc2cccs2)C1 ZINC000183962528 600655069 /nfs/dbraw/zinc/65/50/69/600655069.db2.gz QGMOXYBEFXYNLZ-KBPBESRZSA-N -1 0 347.436 3.761 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C2CC2)o1 ZINC000179958691 600655584 /nfs/dbraw/zinc/65/55/84/600655584.db2.gz WSHPMOLJZNHXLJ-WVZRYYJFSA-N -1 0 345.439 3.785 20 0 EHADRM C[C@@H](CC(=O)O[C@H](C(=O)[O-])c1ccccc1F)c1ccccc1F ZINC000827391602 600656804 /nfs/dbraw/zinc/65/68/04/600656804.db2.gz GUPQXBBIKSDPDI-GTNSWQLSSA-N -1 0 334.318 3.828 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)[C@@H](C)c1cccc(C)c1 ZINC000736185878 600657475 /nfs/dbraw/zinc/65/74/75/600657475.db2.gz GQIQPCMURFLGAP-LBPRGKRZSA-N -1 0 326.348 3.605 20 0 EHADRM CSc1ccc(O[C@@H](C)C(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC000738145077 600660290 /nfs/dbraw/zinc/66/02/90/600660290.db2.gz HIZLKMGBGBOFSW-LBPRGKRZSA-N -1 0 345.420 3.537 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC000736513710 600660728 /nfs/dbraw/zinc/66/07/28/600660728.db2.gz XBYDLHYJZZALTN-IRXDYDNUSA-N -1 0 329.440 3.817 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)NC2(c3ccc(F)cc3)CCCC2)C1 ZINC000179982397 600665414 /nfs/dbraw/zinc/66/54/14/600665414.db2.gz WFOSQUGWNRSMQI-KBPBESRZSA-N -1 0 333.403 3.602 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H](c3ccccc3)CC2)C1 ZINC000245668109 600665802 /nfs/dbraw/zinc/66/58/02/600665802.db2.gz GXYWTNVGYUBCHP-KZNAEPCWSA-N -1 0 329.440 3.674 20 0 EHADRM CSc1ccsc1C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000832789675 600666025 /nfs/dbraw/zinc/66/60/25/600666025.db2.gz DFHJXCXSZUMWHH-NSHDSACASA-N -1 0 326.370 3.592 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000828900733 600667516 /nfs/dbraw/zinc/66/75/16/600667516.db2.gz KYHRPOIYBQIYFM-PBHICJAKSA-N -1 0 330.355 3.764 20 0 EHADRM O=C([O-])[C@@H](OC(=O)C[C@@H]1CCc2ccccc2C1)c1ccccc1F ZINC000833097548 600668627 /nfs/dbraw/zinc/66/86/27/600668627.db2.gz OKBBZXRJGIJTIC-YJYMSZOUSA-N -1 0 342.366 3.690 20 0 EHADRM O=C([O-])[C@@H](CNc1ncnc2cc(Cl)ccc21)c1ccccc1 ZINC000739502279 600671221 /nfs/dbraw/zinc/67/12/21/600671221.db2.gz NDRJNUDDJLVUIA-AWEZNQCLSA-N -1 0 327.771 3.564 20 0 EHADRM Cc1sc(NC(=O)CNc2cc(C(=O)[O-])ccc2C)c(C)c1C ZINC000738542495 600675142 /nfs/dbraw/zinc/67/51/42/600675142.db2.gz ZOJZLOBKOCXCQN-UHFFFAOYSA-N -1 0 332.425 3.731 20 0 EHADRM CCCCc1nc(CNc2cc(C(=O)[O-])ccc2OC(C)C)no1 ZINC000737002940 600676514 /nfs/dbraw/zinc/67/65/14/600676514.db2.gz DRNRISXHSTYNDY-UHFFFAOYSA-N -1 0 333.388 3.510 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000739893233 600678085 /nfs/dbraw/zinc/67/80/85/600678085.db2.gz WMWYVXQBXCYUET-VXGBXAGGSA-N -1 0 330.302 3.588 20 0 EHADRM Cc1ccc(NC(=O)CNc2ccc(C(C)(C)C(=O)[O-])cc2)cc1C ZINC000738624981 600680922 /nfs/dbraw/zinc/68/09/22/600680922.db2.gz BSHZLZAPRTYXID-UHFFFAOYSA-N -1 0 340.423 3.716 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(F)cc2OCC2CC2)s1 ZINC000238042074 600692618 /nfs/dbraw/zinc/69/26/18/600692618.db2.gz VITMADWDIOCHJG-UHFFFAOYSA-N -1 0 335.356 3.627 20 0 EHADRM C[C@H](Cc1nc(-c2cccc(C(=O)[O-])c2)no1)c1cccc(F)c1 ZINC000827597106 600693886 /nfs/dbraw/zinc/69/38/86/600693886.db2.gz LOQKUCOJVOXFSP-LLVKDONJSA-N -1 0 326.327 3.920 20 0 EHADRM C/C(=C/C(=O)O[C@@H](C(=O)[O-])C(C)C)c1ccccc1C(F)(F)F ZINC000825724963 600697862 /nfs/dbraw/zinc/69/78/62/600697862.db2.gz YCYLJRCLANHBFZ-QQBNSCQMSA-N -1 0 330.302 3.761 20 0 EHADRM CC(C)C[C@@H](NC(=O)NCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000263295750 600699566 /nfs/dbraw/zinc/69/95/66/600699566.db2.gz WCAHQOBTHOLGBW-CQSZACIVSA-N -1 0 326.824 3.591 20 0 EHADRM O=C([O-])c1cccc(-c2noc(C[C@@H]3CCOc4ccccc43)n2)c1 ZINC000833328172 600700925 /nfs/dbraw/zinc/70/09/25/600700925.db2.gz ZLPDVTOXQRODRS-LBPRGKRZSA-N -1 0 336.347 3.544 20 0 EHADRM COc1ccc2sc(C(=O)OCc3cc(C(=O)[O-])co3)c(C)c2c1 ZINC000832510342 600704136 /nfs/dbraw/zinc/70/41/36/600704136.db2.gz HVMDZXCYPSLFLJ-UHFFFAOYSA-N -1 0 346.360 3.867 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)[C@H]1CCSc2ccccc21 ZINC000833025454 600710373 /nfs/dbraw/zinc/71/03/73/600710373.db2.gz LSHZFOXPGSBBAT-ZDUSSCGKSA-N -1 0 332.377 3.609 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@@H]1CCSc2ccccc21)c1ccc(F)cc1 ZINC000833349897 600710682 /nfs/dbraw/zinc/71/06/82/600710682.db2.gz HCYJMHYAXNRRJX-GDBMZVCRSA-N -1 0 346.379 3.774 20 0 EHADRM O=C([O-])c1ccoc1COC(=O)C1CCC(c2ccccc2)CC1 ZINC000833335763 600715080 /nfs/dbraw/zinc/71/50/80/600715080.db2.gz CDIGMKPBOJVNRK-UHFFFAOYSA-N -1 0 328.364 3.995 20 0 EHADRM O=C(/C=C\C1CC1)OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000833092462 600721159 /nfs/dbraw/zinc/72/11/59/600721159.db2.gz FVSRMGGGNJIKEL-SREVYHEPSA-N -1 0 329.377 3.518 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC000827427740 600721660 /nfs/dbraw/zinc/72/16/60/600721660.db2.gz MJJAGHOBCDDZNO-ZDUSSCGKSA-N -1 0 330.355 3.836 20 0 EHADRM O=C([O-])CCCCCCNC(=O)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000833224840 600725360 /nfs/dbraw/zinc/72/53/60/600725360.db2.gz BLRLNNIDKMKILF-HNNXBMFYSA-N -1 0 338.835 3.832 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)OCc2cc(C(=O)[O-])co2)cc1 ZINC000736512611 600734422 /nfs/dbraw/zinc/73/44/22/600734422.db2.gz KADGMCDKDFPAIQ-IRXDYDNUSA-N -1 0 328.364 3.948 20 0 EHADRM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)OCc2occc2C(=O)[O-])cc1 ZINC000736512799 600734459 /nfs/dbraw/zinc/73/44/59/600734459.db2.gz NLNGKXPPXVVXDF-CVEARBPZSA-N -1 0 328.364 3.948 20 0 EHADRM C[C@@H]1CC[C@@H](CCC(=O)OCc2c3ccccc3sc2C(=O)[O-])O1 ZINC000828226195 600736821 /nfs/dbraw/zinc/73/68/21/600736821.db2.gz PVDCDWZHQZYDLQ-NEPJUHHUSA-N -1 0 348.420 3.990 20 0 EHADRM Cc1cc(COC(=O)[C@@H]2C[C@]23CCCc2ccccc23)oc1C(=O)[O-] ZINC000832885387 600737856 /nfs/dbraw/zinc/73/78/56/600737856.db2.gz MZIRCLUNOUGXDW-JXFKEZNVSA-N -1 0 340.375 3.624 20 0 EHADRM O=C([O-])[C@H](Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccccc1F ZINC000833169651 600740015 /nfs/dbraw/zinc/74/00/15/600740015.db2.gz LRBQJBAANUJODH-MAUKXSAKSA-N -1 0 345.370 3.621 20 0 EHADRM O=C([O-])[C@@H](Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccccc1F ZINC000833169653 600740143 /nfs/dbraw/zinc/74/01/43/600740143.db2.gz LRBQJBAANUJODH-YJBOKZPZSA-N -1 0 345.370 3.621 20 0 EHADRM Cc1ccc2c(CCC(=O)OCc3ccc(C(=O)[O-])cc3)c[nH]c2c1 ZINC000832961097 600741374 /nfs/dbraw/zinc/74/13/74/600741374.db2.gz YZDGMTMBNOAREJ-UHFFFAOYSA-N -1 0 337.375 3.851 20 0 EHADRM CC(C)COc1ccccc1CN[C@@H](C(=O)[O-])c1ccccc1F ZINC000826905785 600741503 /nfs/dbraw/zinc/74/15/03/600741503.db2.gz UHQHUNDUZYRUTC-GOSISDBHSA-N -1 0 331.387 3.776 20 0 EHADRM CC[C@H]1CCC[C@H](NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000320943892 600742664 /nfs/dbraw/zinc/74/26/64/600742664.db2.gz IMMSZYXHPLEQAN-UWVGGRQHSA-N -1 0 326.343 3.753 20 0 EHADRM O=C([O-])[C@H](Nc1cccc(COCC2CC2)c1)c1ccccc1F ZINC000833169932 600743557 /nfs/dbraw/zinc/74/35/57/600743557.db2.gz MRADIYKWYVLSOJ-GOSISDBHSA-N -1 0 329.371 3.990 20 0 EHADRM CC[C@@]1(C)CCCN(C(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000829044357 600751954 /nfs/dbraw/zinc/75/19/54/600751954.db2.gz PQUHKPNDJLLUGM-SFHVURJKSA-N -1 0 333.432 3.541 20 0 EHADRM O=C([O-])[C@H](NCc1coc(-c2ccccc2)n1)c1cccc(Cl)c1 ZINC000426744981 600753318 /nfs/dbraw/zinc/75/33/18/600753318.db2.gz RZOSTHOIQGSDCF-MRXNPFEDSA-N -1 0 342.782 3.911 20 0 EHADRM Cc1ccc(CC(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)cc1C ZINC000776672580 600799005 /nfs/dbraw/zinc/79/90/05/600799005.db2.gz KUUCDQIPVAIKAV-QGZVFWFLSA-N -1 0 345.826 3.832 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c(C)c1 ZINC000776676220 600801825 /nfs/dbraw/zinc/80/18/25/600801825.db2.gz DPJDISJUQLCQEG-INIZCTEOSA-N -1 0 331.799 3.903 20 0 EHADRM Cc1ccc(N2CCC[C@H](Oc3ccc(NC(=O)[O-])cc3)C2=O)cc1 ZINC000832937603 600802939 /nfs/dbraw/zinc/80/29/39/600802939.db2.gz AAHQSBCTAPFUTK-KRWDZBQOSA-N -1 0 340.379 3.659 20 0 EHADRM Cc1ccc(CCC(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000776676027 600802931 /nfs/dbraw/zinc/80/29/31/600802931.db2.gz ZXOQWJKBWYMTQF-QGZVFWFLSA-N -1 0 345.826 3.913 20 0 EHADRM O=C([O-])c1ccc(OCCn2cc(-c3ccccc3)cn2)c(Cl)c1 ZINC000833322382 600803437 /nfs/dbraw/zinc/80/34/37/600803437.db2.gz MRUZWSCGAZKWTR-UHFFFAOYSA-N -1 0 342.782 3.981 20 0 EHADRM Cc1sc(NC(=O)COc2ccc(C)cc2C(=O)[O-])c(C)c1C ZINC000832951715 600804384 /nfs/dbraw/zinc/80/43/84/600804384.db2.gz UVYAJAUGLOWCNK-UHFFFAOYSA-N -1 0 333.409 3.697 20 0 EHADRM CCn1c(C)cc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c1C ZINC000776675598 600804434 /nfs/dbraw/zinc/80/44/34/600804434.db2.gz UEKYARFDOCJMBF-INIZCTEOSA-N -1 0 348.830 3.724 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000776679837 600808441 /nfs/dbraw/zinc/80/84/41/600808441.db2.gz ZLBMKYYJPRGHQU-DYVFJYSZSA-N -1 0 345.826 3.851 20 0 EHADRM Cc1ccc(OCc2csc(-c3ccc(C(=O)[O-])cc3)n2)nc1 ZINC000738648701 600815920 /nfs/dbraw/zinc/81/59/20/600815920.db2.gz KCCSQEOGRKTLFJ-UHFFFAOYSA-N -1 0 326.377 3.791 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=S)Nc2ccccc2F)c2ccccc21 ZINC000739654901 600821122 /nfs/dbraw/zinc/82/11/22/600821122.db2.gz ZKMMAUCBEUOEEB-LLVKDONJSA-N -1 0 330.384 3.601 20 0 EHADRM COc1cc(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)c(C(=O)[O-])cc1OC ZINC000737892993 600823842 /nfs/dbraw/zinc/82/38/42/600823842.db2.gz UMHADEQNOSQLRZ-OLZOCXBDSA-N -1 0 347.411 3.557 20 0 EHADRM Cc1nc(NC(=O)c2cc(C)ccc2N(C)C(C)C)sc1C(=O)[O-] ZINC000738280883 600825228 /nfs/dbraw/zinc/82/52/28/600825228.db2.gz USNNRRNFFPZRET-UHFFFAOYSA-N -1 0 347.440 3.555 20 0 EHADRM COc1ccc(NCc2ncc(-c3ccccc3F)o2)c(C(=O)[O-])c1 ZINC000832413308 600826374 /nfs/dbraw/zinc/82/63/74/600826374.db2.gz PFJBENKPAOHXQH-UHFFFAOYSA-N -1 0 342.326 3.800 20 0 EHADRM CCO[C@@H]1C[C@H](Nc2nc(Cl)c(C(=O)[O-])s2)C12CCCC2 ZINC000829931575 600826649 /nfs/dbraw/zinc/82/66/49/600826649.db2.gz QBXCFYOJSOTDGG-DTWKUNHWSA-N -1 0 330.837 3.644 20 0 EHADRM CCO[C@H]1C[C@H](Nc2nc(Cl)c(C(=O)[O-])s2)C12CCCC2 ZINC000829931576 600826720 /nfs/dbraw/zinc/82/67/20/600826720.db2.gz QBXCFYOJSOTDGG-IUCAKERBSA-N -1 0 330.837 3.644 20 0 EHADRM C[C@@H]1SCCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)[C@H]1C ZINC000567510130 600831756 /nfs/dbraw/zinc/83/17/56/600831756.db2.gz WDTBMGOTWGQXFV-RYUDHWBXSA-N -1 0 348.493 3.834 20 0 EHADRM O=C([O-])[C@@H](Sc1nnc(-c2ccc(F)cc2)o1)c1ccccc1F ZINC000833169207 600832593 /nfs/dbraw/zinc/83/25/93/600832593.db2.gz ILLUAIZHOBUGTG-ZDUSSCGKSA-N -1 0 348.330 3.933 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000263030526 600834362 /nfs/dbraw/zinc/83/43/62/600834362.db2.gz UOVUWPADFMVLQK-JKSUJKDBSA-N -1 0 331.412 3.613 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)cc1 ZINC000737328794 600835791 /nfs/dbraw/zinc/83/57/91/600835791.db2.gz JQHUBZOUIKIYTB-HIFRSBDPSA-N -1 0 346.333 3.821 20 0 EHADRM C[C@H]1CCC[C@@H](C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC000621564840 600842197 /nfs/dbraw/zinc/84/21/97/600842197.db2.gz XFXSWSVTOIZQHN-VHSXEESVSA-N -1 0 327.327 3.751 20 0 EHADRM CC[C@H]1C[C@@H](C)CN1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000829075095 600842809 /nfs/dbraw/zinc/84/28/09/600842809.db2.gz MJTFJVLOXMRHDT-DOMZBBRYSA-N -1 0 336.457 3.657 20 0 EHADRM C[C@@H](CC(=O)N1C[C@H](CC(=O)[O-])c2ccccc21)c1ccccc1F ZINC000736544695 600849372 /nfs/dbraw/zinc/84/93/72/600849372.db2.gz JRCYGJJZKFBBRC-KBPBESRZSA-N -1 0 341.382 3.924 20 0 EHADRM Cc1cc2cc(C(=O)NCCc3ccc(C(=O)[O-])cc3)oc2cc1C ZINC000237905836 600850954 /nfs/dbraw/zinc/85/09/54/600850954.db2.gz ZCEPBACXGDINAI-UHFFFAOYSA-N -1 0 337.375 3.720 20 0 EHADRM Cc1cc2ccccc2n1CC(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000738478154 600852234 /nfs/dbraw/zinc/85/22/34/600852234.db2.gz BRJMMKRNRQTLKU-MRXNPFEDSA-N -1 0 348.402 3.555 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)c2cccc(-n3cccc3)c2)c2ccccc21 ZINC000739646264 600857352 /nfs/dbraw/zinc/85/73/52/600857352.db2.gz ILZMOCUAHBJKGV-MRXNPFEDSA-N -1 0 346.386 3.696 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)[C@H]2SCCc3ccccc32)cc1 ZINC000833290173 600862657 /nfs/dbraw/zinc/86/26/57/600862657.db2.gz PAOGXHSXGWTMDZ-HNNXBMFYSA-N -1 0 329.377 3.713 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)CCCc2cccs2)c2ccccc21 ZINC000321271694 600862954 /nfs/dbraw/zinc/86/29/54/600862954.db2.gz BUPSCZFINZOXJR-ZDUSSCGKSA-N -1 0 329.421 3.676 20 0 EHADRM CC(C)C[C@@H](NC(=O)CCCNC(=O)[O-])c1ccc(Cl)cc1 ZINC000736414200 600864793 /nfs/dbraw/zinc/86/47/93/600864793.db2.gz XCBPRHGYCIRCGL-CQSZACIVSA-N -1 0 326.824 3.591 20 0 EHADRM CN(CC(=O)N[C@H](CC(C)(C)C)c1ccc(Cl)cc1)C(=O)[O-] ZINC000737393372 600865315 /nfs/dbraw/zinc/86/53/15/600865315.db2.gz MZVYDCIHYJANHB-CYBMUJFWSA-N -1 0 326.824 3.543 20 0 EHADRM CN(C(=O)CC1CCC1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000830466312 600872382 /nfs/dbraw/zinc/87/23/82/600872382.db2.gz XUYHFTCZOMQETM-AWEZNQCLSA-N -1 0 330.211 3.768 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)c1OC ZINC000262512462 600874641 /nfs/dbraw/zinc/87/46/41/600874641.db2.gz PEAOFJAORNXWEZ-ZIAGYGMSSA-N -1 0 347.411 3.557 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)[C@@H]2SCCc3ccccc32)ccc1F ZINC000833282989 600874869 /nfs/dbraw/zinc/87/48/69/600874869.db2.gz CORYPJBKSIVNRW-OAHLLOKOSA-N -1 0 346.383 3.885 20 0 EHADRM C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000262122864 600880860 /nfs/dbraw/zinc/88/08/60/600880860.db2.gz CFUIYMOAYDYDHN-GFCCVEGCSA-N -1 0 345.370 3.594 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N(Cc2ccc(Cl)cc2)C2CC2)C1 ZINC000179958819 600885323 /nfs/dbraw/zinc/88/53/23/600885323.db2.gz RWZDZOAOBCUMFP-KBPBESRZSA-N -1 0 335.831 3.722 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1Cl ZINC000179968557 600885836 /nfs/dbraw/zinc/88/58/36/600885836.db2.gz GNBCGBXBYJVXJD-NEPJUHHUSA-N -1 0 339.819 3.957 20 0 EHADRM CCN(C(=O)[C@H]1SCCc2ccccc21)c1ccccc1C(=O)[O-] ZINC000829591878 600887880 /nfs/dbraw/zinc/88/78/80/600887880.db2.gz ZSFMVRKSEMBEMF-KRWDZBQOSA-N -1 0 341.432 3.768 20 0 EHADRM CN(Cc1csc2ccccc12)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000179971347 600890424 /nfs/dbraw/zinc/89/04/24/600890424.db2.gz CMCDQCVXDLXFIZ-OLZOCXBDSA-N -1 0 331.437 3.751 20 0 EHADRM Cc1sc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)nc1-c1ccccc1 ZINC000833034461 600897131 /nfs/dbraw/zinc/89/71/31/600897131.db2.gz VCFNEZWHRIOGRT-KGLIPLIRSA-N -1 0 344.436 3.948 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H]2c2ccccc2Cl)C1 ZINC000245773599 600899224 /nfs/dbraw/zinc/89/92/24/600899224.db2.gz XRAXPBBDGFSUNR-WOSRLPQWSA-N -1 0 335.831 3.895 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)N(C)c1ccc(-c2ccccc2)cc1 ZINC000826792523 600904386 /nfs/dbraw/zinc/90/43/86/600904386.db2.gz AVXUOTWJXUZESU-GOSISDBHSA-N -1 0 340.423 3.999 20 0 EHADRM CC/C(=C\C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccc(C)cc1 ZINC000370238433 600906313 /nfs/dbraw/zinc/90/63/13/600906313.db2.gz KLFAXLWCBZVWHY-VMEIHUARSA-N -1 0 327.424 3.502 20 0 EHADRM Cc1ccc2cc(C(=O)N3C[C@H](CC(=O)[O-])c4ccccc43)[nH]c2c1 ZINC000738675771 600908449 /nfs/dbraw/zinc/90/84/49/600908449.db2.gz RGDQLSIWQMZIEH-AWEZNQCLSA-N -1 0 334.375 3.695 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N(Cc2ccccc2)CC2CCC2)C1 ZINC000179981420 600909979 /nfs/dbraw/zinc/90/99/79/600909979.db2.gz VSESBTNWEMGSFH-MSOLQXFVSA-N -1 0 329.440 3.706 20 0 EHADRM CCCc1c(C(=O)Nc2ncc(C(C)(C)C)s2)[nH]c(C)c1C(=O)[O-] ZINC000829562740 600920108 /nfs/dbraw/zinc/92/01/08/600920108.db2.gz UEMKLCNENLJPSZ-UHFFFAOYSA-N -1 0 349.456 3.980 20 0 EHADRM CCC(CC)(NC(=O)c1cccc(Nc2ccccc2)c1)C(=O)[O-] ZINC000828846053 600927942 /nfs/dbraw/zinc/92/79/42/600927942.db2.gz OJPRAXLBRLUCKR-UHFFFAOYSA-N -1 0 326.396 3.803 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCCC[C@@H]2Cc2ccc(F)cc2)C1 ZINC000540923884 600933709 /nfs/dbraw/zinc/93/37/09/600933709.db2.gz HKSCJJMFNUQRNJ-LZLYRXPVSA-N -1 0 347.430 3.640 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)/C=C/C3CC3)ccc2n1C1CC1 ZINC000832851357 600941056 /nfs/dbraw/zinc/94/10/56/600941056.db2.gz MCUKOFIYCFQVIX-RUDMXATFSA-N -1 0 325.364 3.854 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N(Cc2cccc(F)c2)C2CCCC2)C1 ZINC000833181764 600943188 /nfs/dbraw/zinc/94/31/88/600943188.db2.gz KGCWTFQKRAGCSM-CVEARBPZSA-N -1 0 347.430 3.988 20 0 EHADRM O=C([O-])c1cccc(COC(=O)[C@H]2CCSc3ccccc32)c1 ZINC000833328965 600945248 /nfs/dbraw/zinc/94/52/48/600945248.db2.gz HKBQSBOMALSHDU-HNNXBMFYSA-N -1 0 328.389 3.708 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)N3C[C@H](C(=O)[O-])c4ccccc43)c2c1 ZINC000192934705 600945756 /nfs/dbraw/zinc/94/57/56/600945756.db2.gz SBUOXTJECPWBHO-KRWDZBQOSA-N -1 0 348.402 3.624 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000647156715 600946045 /nfs/dbraw/zinc/94/60/45/600946045.db2.gz NXEYPIJEUPGRQS-RRFJBIMHSA-N -1 0 335.831 3.547 20 0 EHADRM CC(C)C[C@@H](OC(=O)c1ccnc(Oc2ccccc2)c1)C(=O)[O-] ZINC000826819314 600952166 /nfs/dbraw/zinc/95/21/66/600952166.db2.gz IFXBASRTVZRAIO-OAHLLOKOSA-N -1 0 329.352 3.530 20 0 EHADRM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1cccc(C(=O)[O-])c1 ZINC000236701246 600953874 /nfs/dbraw/zinc/95/38/74/600953874.db2.gz BIULLNVDSMRGQK-KRWDZBQOSA-N -1 0 329.371 3.521 20 0 EHADRM CC(C)C[C@H](OC(=O)c1csc(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000826818785 600956618 /nfs/dbraw/zinc/95/66/18/600956618.db2.gz DGFGRBUMJSRTIE-ZDUSSCGKSA-N -1 0 337.372 3.605 20 0 EHADRM CC(C)C[C@@H](OC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000826812623 600956621 /nfs/dbraw/zinc/95/66/21/600956621.db2.gz KRQRGZWQIVWMHI-ZWNOBZJWSA-N -1 0 348.317 3.515 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2cc(C3CCCCCC3)[nH]n2)C1 ZINC000833185657 600960096 /nfs/dbraw/zinc/96/00/96/600960096.db2.gz HYPUCSQHMKOHPN-KGLIPLIRSA-N -1 0 333.432 3.677 20 0 EHADRM COc1cccc(CCCOC(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000832549878 600962204 /nfs/dbraw/zinc/96/22/04/600962204.db2.gz USXFLDDHXPYJQM-UHFFFAOYSA-N -1 0 329.352 3.575 20 0 EHADRM COc1cccc([C@@H](C)OC(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000832533737 600963482 /nfs/dbraw/zinc/96/34/82/600963482.db2.gz PBHNQYFNEHIREY-CYBMUJFWSA-N -1 0 328.364 3.630 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NCC2(c3cccs3)CCCCC2)C1 ZINC000498646143 600964921 /nfs/dbraw/zinc/96/49/21/600964921.db2.gz LVPUWUXDQCVQTN-LSDHHAIUSA-N -1 0 349.496 3.957 20 0 EHADRM CN(C(=O)[C@@H]1C[C@]12CCCc1ccccc12)c1ccccc1C(=O)[O-] ZINC000830456475 600967416 /nfs/dbraw/zinc/96/74/16/600967416.db2.gz FXDLWVJWXNHFCC-UWJYYQICSA-N -1 0 335.403 3.642 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000262112813 600967776 /nfs/dbraw/zinc/96/77/76/600967776.db2.gz IBHPVDYUOFKORN-KFNAQCHYSA-N -1 0 337.391 3.836 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000776595831 600968234 /nfs/dbraw/zinc/96/82/34/600968234.db2.gz SJIPMYITQWULCS-AVRDEDQJSA-N -1 0 347.414 3.568 20 0 EHADRM O=C([O-])c1cccc(-c2nc(CSC[C@@H]3CCCO3)cs2)c1 ZINC000833325918 600969508 /nfs/dbraw/zinc/96/95/08/600969508.db2.gz BEZTVJMDCRUEKY-AWEZNQCLSA-N -1 0 335.450 3.921 20 0 EHADRM O=C([O-])c1cccc(OCCSCCc2ccc3c(c2)CCO3)c1 ZINC000833333332 600969616 /nfs/dbraw/zinc/96/96/16/600969616.db2.gz VLWVRORELHRMSB-UHFFFAOYSA-N -1 0 344.432 3.674 20 0 EHADRM CCCOc1ccc(CCC(=O)Nc2sccc2C(=O)[O-])cc1 ZINC000829532437 600970316 /nfs/dbraw/zinc/97/03/16/600970316.db2.gz JDAMUNXEVMCLEU-UHFFFAOYSA-N -1 0 333.409 3.806 20 0 EHADRM C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)CC[C@@H]1c1ccccc1 ZINC000245763132 600971386 /nfs/dbraw/zinc/97/13/86/600971386.db2.gz VXAKKFYYSPUQHW-DDBAPUKQSA-N -1 0 329.440 3.530 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Nc2cc(Cl)c(Cl)cn2)cc1 ZINC000833102153 600978214 /nfs/dbraw/zinc/97/82/14/600978214.db2.gz MFZDLSGTMPTAHA-UHFFFAOYSA-N -1 0 339.178 3.658 20 0 EHADRM C[C@H](NC(=O)c1cccc(C(=O)[O-])c1)c1ccc(-c2ccncc2)cc1 ZINC000191626534 600981095 /nfs/dbraw/zinc/98/10/95/600981095.db2.gz ZGYWLPABRSRBFU-AWEZNQCLSA-N -1 0 346.386 3.938 20 0 EHADRM CC[C@@H]1CN(C(=O)[C@@H](CC(C)C)NC(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000829134037 600981604 /nfs/dbraw/zinc/98/16/04/600981604.db2.gz KIXMKVGHIAMMPD-BPQIPLTHSA-N -1 0 346.471 3.711 20 0 EHADRM CC(C)CCc1nc(CN2C[C@H](C(=O)[O-])Oc3ccccc32)cs1 ZINC000826860763 600984464 /nfs/dbraw/zinc/98/44/64/600984464.db2.gz GKFUVFNKRCFOQQ-MRXNPFEDSA-N -1 0 346.452 3.584 20 0 EHADRM Cc1sc(NC(=O)COc2cc(C(=O)[O-])ccc2C)c(C)c1C ZINC000738540544 600984631 /nfs/dbraw/zinc/98/46/31/600984631.db2.gz KPUGQKLVLFWSPR-UHFFFAOYSA-N -1 0 333.409 3.697 20 0 EHADRM Cc1c(Cl)cccc1NC(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000390647255 600994614 /nfs/dbraw/zinc/99/46/14/600994614.db2.gz MMFFMAJBRFDSDZ-CYBMUJFWSA-N -1 0 332.787 3.638 20 0 EHADRM CC(C)c1ccc(NC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000325017602 600994676 /nfs/dbraw/zinc/99/46/76/600994676.db2.gz HFMRSDGSJAIXCK-QGZVFWFLSA-N -1 0 326.396 3.800 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)/C=C(/C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000736868792 600996051 /nfs/dbraw/zinc/99/60/51/600996051.db2.gz AXNSITMQWQNDCJ-RMCXSNHPSA-N -1 0 343.345 3.724 20 0 EHADRM CC[C@H]1CN(C(=O)NCCCCCC(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000414632086 600996266 /nfs/dbraw/zinc/99/62/66/600996266.db2.gz XGZYSODMFUJXOT-WMZOPIPTSA-N -1 0 346.471 3.857 20 0 EHADRM CN(C(=O)c1ccc(-c2ccccc2)n1C)c1ccccc1C(=O)[O-] ZINC000737335626 600997809 /nfs/dbraw/zinc/99/78/09/600997809.db2.gz BQSGUKFUJHGKKL-UHFFFAOYSA-N -1 0 334.375 3.667 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000826775109 601002857 /nfs/dbraw/zinc/00/28/57/601002857.db2.gz DWAFVXLGDGYHHX-AWEZNQCLSA-N -1 0 348.443 3.876 20 0 EHADRM Cc1cc(C)cc(C[C@@H](C)NC(=O)Nc2cc(C(=O)[O-])ccc2F)c1 ZINC000832876277 601010788 /nfs/dbraw/zinc/01/07/88/601010788.db2.gz IREPRSZFBFSYFK-CYBMUJFWSA-N -1 0 344.386 3.893 20 0 EHADRM CCCc1ncc(C(=O)N(c2ccccc2)[C@@H](CC)C(=O)[O-])s1 ZINC000737047083 601011568 /nfs/dbraw/zinc/01/15/68/601011568.db2.gz MWTQVPIZGWLILD-ZDUSSCGKSA-N -1 0 332.425 3.606 20 0 EHADRM CCCc1ncc(C(=O)N(c2ccccc2)[C@H](CC)C(=O)[O-])s1 ZINC000737046930 601011593 /nfs/dbraw/zinc/01/15/93/601011593.db2.gz MWTQVPIZGWLILD-CYBMUJFWSA-N -1 0 332.425 3.606 20 0 EHADRM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000828121401 601012613 /nfs/dbraw/zinc/01/26/13/601012613.db2.gz GJRKLGHSDZLNNK-QAPCUYQASA-N -1 0 346.333 3.515 20 0 EHADRM CCO[C@H]1C[C@@H](NC(=O)Nc2cccc(NC(=O)[O-])c2)C12CCCC2 ZINC000829926352 601023472 /nfs/dbraw/zinc/02/34/72/601023472.db2.gz WRGXSGVKWJZBLV-CABCVRRESA-N -1 0 347.415 3.636 20 0 EHADRM O=C([O-])CCN(C(=O)c1cccc(C(F)F)c1)c1cccc(F)c1 ZINC000739719116 601027790 /nfs/dbraw/zinc/02/77/90/601027790.db2.gz ROHSGMNYTQJXGJ-UHFFFAOYSA-N -1 0 337.297 3.885 20 0 EHADRM Cc1cc(Sc2ccccc2)ccc1NC(=O)NCCC(=O)[O-] ZINC000818853106 601029590 /nfs/dbraw/zinc/02/95/90/601029590.db2.gz FSERVZYQPBUFFA-UHFFFAOYSA-N -1 0 330.409 3.742 20 0 EHADRM CCN(C(=O)Nc1ccc(CC(=O)[O-])cc1)[C@@H](C)c1cccc(O)c1 ZINC000829602405 601032615 /nfs/dbraw/zinc/03/26/15/601032615.db2.gz LVOUMNKQMPNGRH-ZDUSSCGKSA-N -1 0 342.395 3.634 20 0 EHADRM C[C@@H]1C[C@H]1[C@H](NC(=O)c1cccc(C(=O)[O-])n1)c1ccc(Cl)cc1 ZINC000736763709 601034309 /nfs/dbraw/zinc/03/43/09/601034309.db2.gz DAYWEBRMKNOTOC-CKUKBARFSA-N -1 0 344.798 3.560 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(OCCC(=O)[O-])cc1)C1CCCCC1 ZINC000827679779 601034584 /nfs/dbraw/zinc/03/45/84/601034584.db2.gz HHQRVADYNHJXQZ-ZDUSSCGKSA-N -1 0 334.416 3.630 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N(c1ncc(C(=O)[O-])s1)C1CC1 ZINC000736903072 601035139 /nfs/dbraw/zinc/03/51/39/601035139.db2.gz GKNCDCBKERYLDN-CYBMUJFWSA-N -1 0 344.436 3.606 20 0 EHADRM Cc1ccc(CCC(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)c(C)c1 ZINC000738588340 601035915 /nfs/dbraw/zinc/03/59/15/601035915.db2.gz DCBSHOGRJCZIQH-UHFFFAOYSA-N -1 0 344.436 3.586 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)CCCN(C)C(=O)[O-] ZINC000736903408 601044445 /nfs/dbraw/zinc/04/44/45/601044445.db2.gz IXUBRWXPHDWXHJ-QGZVFWFLSA-N -1 0 334.460 3.555 20 0 EHADRM Cc1csc([C@@H](NC(=O)Nc2ccc(C(=O)[O-])cc2F)C2CC2)n1 ZINC000821146987 601044462 /nfs/dbraw/zinc/04/44/62/601044462.db2.gz PMEDRMSVTPPGCQ-ZDUSSCGKSA-N -1 0 349.387 3.562 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1F)Sc1ccccc1 ZINC000827487148 601045165 /nfs/dbraw/zinc/04/51/65/601045165.db2.gz VQWNIRKEIMHYBA-LLVKDONJSA-N -1 0 348.399 3.826 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)N2C[C@@H](C)[C@H]2c2ccccc2)c(C)c1C(=O)[O-] ZINC000832843339 601045635 /nfs/dbraw/zinc/04/56/35/601045635.db2.gz UNRYRMVTMXDNKM-VZSAFFHGSA-N -1 0 340.423 3.594 20 0 EHADRM CC[C@H](C)C[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000828735569 601049188 /nfs/dbraw/zinc/04/91/88/601049188.db2.gz BZXLZNYOGCRJCT-VHSXEESVSA-N -1 0 344.358 3.932 20 0 EHADRM O=C([O-])CCCCCNC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000238147333 601052011 /nfs/dbraw/zinc/05/20/11/601052011.db2.gz FZRCODZYPIYJMM-ZIAGYGMSSA-N -1 0 344.238 3.858 20 0 EHADRM CC(C)c1cc(C(=O)Oc2c(C(=O)[O-])ccc3ccccc32)n(C)n1 ZINC000827106839 601056301 /nfs/dbraw/zinc/05/63/01/601056301.db2.gz BBQZDEAFQGMRSY-UHFFFAOYSA-N -1 0 338.363 3.614 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cc2c(s1)CCCC2)c1ccccc1F ZINC000833350668 601058975 /nfs/dbraw/zinc/05/89/75/601058975.db2.gz FPXIAKZKJPNCMW-HNNXBMFYSA-N -1 0 334.368 3.749 20 0 EHADRM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000828148740 601060728 /nfs/dbraw/zinc/06/07/28/601060728.db2.gz DGWWDTFEEOTHQD-RHSMWYFYSA-N -1 0 338.407 3.870 20 0 EHADRM O=C([O-])c1ccc(OCCOC(=O)C2CCCCC2)c(Cl)c1 ZINC000833322845 601062392 /nfs/dbraw/zinc/06/23/92/601062392.db2.gz VCGGQFMCXMQSIE-UHFFFAOYSA-N -1 0 326.776 3.541 20 0 EHADRM O=C([O-])c1ccc(OCCOC(=O)CC2CCCC2)c(Cl)c1 ZINC000833093409 601062850 /nfs/dbraw/zinc/06/28/50/601062850.db2.gz DIRHQPWIOONOAT-UHFFFAOYSA-N -1 0 326.776 3.541 20 0 EHADRM Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1C(=O)[O-] ZINC000320383932 601067070 /nfs/dbraw/zinc/06/70/70/601067070.db2.gz HNXZSCWBXMFSJW-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM Cc1[nH]c(C(=O)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)c(C)c1C(=O)[O-] ZINC000738162318 601067200 /nfs/dbraw/zinc/06/72/00/601067200.db2.gz WOSXVYAKTARYSL-BLLLJJGKSA-N -1 0 340.423 3.596 20 0 EHADRM Cc1ccc(NC(=O)c2cc(Br)cs2)cc1C(=O)[O-] ZINC000181870225 601067254 /nfs/dbraw/zinc/06/72/54/601067254.db2.gz RWSJEBGXJMRWIQ-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM Cc1cccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)n1 ZINC000832963535 601071933 /nfs/dbraw/zinc/07/19/33/601071933.db2.gz WQCXWIJKPOODOP-CYBMUJFWSA-N -1 0 340.162 3.680 20 0 EHADRM Cc1ccc2[nH]c(C(=O)O[C@H](C(=O)[O-])c3ccccc3F)cc2c1 ZINC000832959884 601071966 /nfs/dbraw/zinc/07/19/66/601071966.db2.gz ZVORPVXDSXCCSD-INIZCTEOSA-N -1 0 327.311 3.598 20 0 EHADRM C/C(=C\C(=O)NC[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1Cl ZINC000736119651 601073328 /nfs/dbraw/zinc/07/33/28/601073328.db2.gz BATOZSKHLDMVMA-SICOMBFOSA-N -1 0 343.810 3.728 20 0 EHADRM CCN(C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br)C(C)C ZINC000829597164 601075784 /nfs/dbraw/zinc/07/57/84/601075784.db2.gz JMBUNVSEMVBPRA-UHFFFAOYSA-N -1 0 347.184 3.549 20 0 EHADRM C[C@H](CC(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1)c1cccnc1 ZINC000827241268 601077200 /nfs/dbraw/zinc/07/72/00/601077200.db2.gz UJIOPMOLFKWJKN-SNVBAGLBSA-N -1 0 347.440 3.666 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cc2ccccc2cc1O)c1ccccc1F ZINC000833352192 601079149 /nfs/dbraw/zinc/07/91/49/601079149.db2.gz SRNZWPTYLMDJOG-QGZVFWFLSA-N -1 0 340.306 3.667 20 0 EHADRM C[C@@H](C(=O)NCCCCCC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000262014393 601079198 /nfs/dbraw/zinc/07/91/98/601079198.db2.gz VMUALPMQIQVCNS-SNVBAGLBSA-N -1 0 332.227 3.858 20 0 EHADRM CCOc1cccc(C(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1 ZINC000830099496 601080233 /nfs/dbraw/zinc/08/02/33/601080233.db2.gz GNDUJFSPEJGXRM-AEFFLSMTSA-N -1 0 345.439 3.581 20 0 EHADRM Cc1ccccc1CCC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000832980928 601080753 /nfs/dbraw/zinc/08/07/53/601080753.db2.gz PZTPVIAAABJCMD-MOPGFXCFSA-N -1 0 343.467 3.810 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)[C@H]1CCc2ccccc21 ZINC000833176112 601080812 /nfs/dbraw/zinc/08/08/12/601080812.db2.gz AUQSUNUTROAJOG-WDSOQIARSA-N -1 0 341.451 3.598 20 0 EHADRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)c1cccc(Cl)c1 ZINC000833179547 601080928 /nfs/dbraw/zinc/08/09/28/601080928.db2.gz ONGLGHRUSBQUJO-GOEBONIOSA-N -1 0 335.831 3.836 20 0 EHADRM Cc1cc(C(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])sc1C ZINC000832860855 601087167 /nfs/dbraw/zinc/08/71/67/601087167.db2.gz NVUJVWYZEOVLFE-CABCVRRESA-N -1 0 335.469 3.861 20 0 EHADRM O=C([O-])c1ccc2c(cnn2CN2CC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000740202215 601093463 /nfs/dbraw/zinc/09/34/63/601093463.db2.gz CAGYLAHXOQXZRK-MRXNPFEDSA-N -1 0 341.798 3.792 20 0 EHADRM CCSCC[C@@H](C)NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000322226321 601093992 /nfs/dbraw/zinc/09/39/92/601093992.db2.gz WGDXSEIYDNOTKN-GFCCVEGCSA-N -1 0 338.473 3.702 20 0 EHADRM Cn1ccc2ccc(NC(=O)N[C@@H](CC(=O)[O-])c3cccs3)cc21 ZINC000833056336 601098606 /nfs/dbraw/zinc/09/86/06/601098606.db2.gz OLLQPVUPJALDBY-ZDUSSCGKSA-N -1 0 343.408 3.577 20 0 EHADRM CC(C)c1cc(NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)no1 ZINC000827112408 601100651 /nfs/dbraw/zinc/10/06/51/601100651.db2.gz HKGZHJKWAIUCEY-UHFFFAOYSA-N -1 0 332.360 3.552 20 0 EHADRM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000630294418 601107857 /nfs/dbraw/zinc/10/78/57/601107857.db2.gz JJCVFNVLEOXLLJ-OCCSQVGLSA-N -1 0 329.421 3.540 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)[C@H](CC(C)C)NC(=O)[O-])cc1 ZINC000826861235 601111453 /nfs/dbraw/zinc/11/14/53/601111453.db2.gz RPBXNEBXIFSWOI-INIZCTEOSA-N -1 0 336.432 3.732 20 0 EHADRM Cc1ccc(CCCC(=O)O[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000832930423 601112878 /nfs/dbraw/zinc/11/28/78/601112878.db2.gz MTCXMJMPFUZBJX-GOSISDBHSA-N -1 0 330.355 3.826 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000324932402 601125564 /nfs/dbraw/zinc/12/55/64/601125564.db2.gz NYWGGQKNLNNSCD-HUUCEWRRSA-N -1 0 330.428 3.506 20 0 EHADRM Cc1cc(NC(=O)c2c(F)c(F)cc(F)c2F)sc1C(=O)[O-] ZINC000832896465 601126524 /nfs/dbraw/zinc/12/65/24/601126524.db2.gz XXRMTEZRVOYRCX-UHFFFAOYSA-N -1 0 333.262 3.563 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)c1c(F)c(F)cc(F)c1F ZINC000833299946 601127854 /nfs/dbraw/zinc/12/78/54/601127854.db2.gz YDZVEXBNZGZTIL-UHFFFAOYSA-N -1 0 347.651 3.847 20 0 EHADRM C[C@@H]1c2ccccc2CN1C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000828528207 601130351 /nfs/dbraw/zinc/13/03/51/601130351.db2.gz SIWZIDBDUMTDDW-GFCCVEGCSA-N -1 0 325.368 3.910 20 0 EHADRM C[C@H]1c2ccccc2CN1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000828528079 601131655 /nfs/dbraw/zinc/13/16/55/601131655.db2.gz QOQSYPLXWULWMX-ZDUSSCGKSA-N -1 0 340.379 3.649 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cccc(CSCC(=O)[O-])c2)C(C)(C)C1 ZINC000828377126 601132893 /nfs/dbraw/zinc/13/28/93/601132893.db2.gz HKMXYYDOUMPSGW-GFCCVEGCSA-N -1 0 336.457 3.657 20 0 EHADRM CC(=O)Nc1ccc(NC(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1C ZINC000825903088 601136607 /nfs/dbraw/zinc/13/66/07/601136607.db2.gz SDZGDGPDDCIVFL-UHFFFAOYSA-N -1 0 341.367 3.604 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](C)c2c(F)cccc2F)cc1C(=O)[O-] ZINC000832947082 601137351 /nfs/dbraw/zinc/13/73/51/601137351.db2.gz SZFMGJATTWGZCT-JTQLQIEISA-N -1 0 334.322 3.854 20 0 EHADRM Cc1ccccc1OCCN(C)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000832981397 601139136 /nfs/dbraw/zinc/13/91/36/601139136.db2.gz DQXHVGXUXUKWLZ-UHFFFAOYSA-N -1 0 342.395 3.544 20 0 EHADRM Cc1cnc([C@H](NC(=O)Nc2ccc(C)c(C(=O)[O-])c2)C2CC2)s1 ZINC000832985827 601140159 /nfs/dbraw/zinc/14/01/59/601140159.db2.gz PONRAWWDQZISPN-CQSZACIVSA-N -1 0 345.424 3.731 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)C(C)=Cc1ccc(F)cc1 ZINC000825942220 601141756 /nfs/dbraw/zinc/14/17/56/601141756.db2.gz MXHGGRCOPDRAGM-LUAWRHEFSA-N -1 0 342.322 3.735 20 0 EHADRM CC[C@H](c1ccncc1)N(C)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000829033673 601142160 /nfs/dbraw/zinc/14/21/60/601142160.db2.gz SILNVJHXHPMZAI-MRXNPFEDSA-N -1 0 327.384 3.703 20 0 EHADRM Cc1ccc(NC(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)cc1C(=O)[O-] ZINC000832944841 601144429 /nfs/dbraw/zinc/14/44/29/601144429.db2.gz MDTMWTGNFAZSAQ-BBRMVZONSA-N -1 0 348.443 3.656 20 0 EHADRM O=C([O-])CN(C(=O)Cc1ccc2ccccc2c1)c1cccc(F)c1 ZINC000833245130 601145109 /nfs/dbraw/zinc/14/51/09/601145109.db2.gz SCLPEHYYYXHCTA-UHFFFAOYSA-N -1 0 337.350 3.639 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000833185386 601146661 /nfs/dbraw/zinc/14/66/61/601146661.db2.gz HBKWPMJSNMHORB-NEPJUHHUSA-N -1 0 348.399 3.779 20 0 EHADRM O=C([O-])c1sccc1NC(=O)c1cccc(C(F)(F)F)c1F ZINC000316920776 601147633 /nfs/dbraw/zinc/14/76/33/601147633.db2.gz FGMLDOPPNFLAIJ-UHFFFAOYSA-N -1 0 333.262 3.857 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1ccc(Oc2ccccc2)o1 ZINC000776602684 601151645 /nfs/dbraw/zinc/15/16/45/601151645.db2.gz WMEYCKZZUOCHOZ-UHFFFAOYSA-N -1 0 349.342 3.973 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1cc(Cl)ccc1OC(F)F ZINC000833162597 601152016 /nfs/dbraw/zinc/15/20/16/601152016.db2.gz KSUBMQQYKBTJBL-UHFFFAOYSA-N -1 0 347.726 3.953 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2ccc(Oc3ccccc3)o2)o1 ZINC000833315944 601152335 /nfs/dbraw/zinc/15/23/35/601152335.db2.gz MBCXPQDRNSEBEZ-UHFFFAOYSA-N -1 0 328.276 3.720 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(C(F)F)cc1)c1ccccc1 ZINC000826044367 601166954 /nfs/dbraw/zinc/16/69/54/601166954.db2.gz FYMVBZRLTGKKPM-XHDPSFHLSA-N -1 0 333.334 3.816 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000262548958 601167359 /nfs/dbraw/zinc/16/73/59/601167359.db2.gz UJGAIINBOMXPJP-GLJUWKHASA-N -1 0 343.398 3.583 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000237561325 601167369 /nfs/dbraw/zinc/16/73/69/601167369.db2.gz UJGAIINBOMXPJP-LBTNJELSSA-N -1 0 343.398 3.583 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)C/C=C\c1ccc(F)cc1)c1ccccc1 ZINC000486070263 601167381 /nfs/dbraw/zinc/16/73/81/601167381.db2.gz XTCOBMFYIOLANJ-IQMSKSFESA-N -1 0 341.382 3.807 20 0 EHADRM C[C@@H]1[C@H](C)Sc2ccccc2N1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000828521225 601173764 /nfs/dbraw/zinc/17/37/64/601173764.db2.gz IZPFDSIZYLPXGS-NEPJUHHUSA-N -1 0 327.405 3.914 20 0 EHADRM C[C@H]1Sc2ccccc2N(C(=O)c2cccc(C(=O)[O-])c2)[C@H]1C ZINC000828520783 601173993 /nfs/dbraw/zinc/17/39/93/601173993.db2.gz BEOVDGDGXBXOIC-NWDGAFQWSA-N -1 0 327.405 3.914 20 0 EHADRM C[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccc1F)[C@@H](C)c1ccccc1 ZINC000827665471 601176409 /nfs/dbraw/zinc/17/64/09/601176409.db2.gz RXTFDZACDYJSLT-VXGBXAGGSA-N -1 0 330.359 3.838 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)C2CC(OCc3ccccc3)C2)c1 ZINC000833288864 601180550 /nfs/dbraw/zinc/18/05/50/601180550.db2.gz NFZJGFBKHGUBGH-UHFFFAOYSA-N -1 0 340.379 3.710 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)OCc2csc(C3CCCC3)n2)C1 ZINC000833187453 601186018 /nfs/dbraw/zinc/18/60/18/601186018.db2.gz KGNUPLURKBAMJV-CHWSQXEVSA-N -1 0 337.441 3.735 20 0 EHADRM CCS[C@H]1CCC[C@H]1NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000830157696 601192837 /nfs/dbraw/zinc/19/28/37/601192837.db2.gz LUYJYLBIOMNFMQ-YPMHNXCESA-N -1 0 341.408 3.711 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)Oc3cccc(CC(=O)[O-])c3)c2c1 ZINC000832960629 601193069 /nfs/dbraw/zinc/19/30/69/601193069.db2.gz RVLFXRNLFPPDJV-UHFFFAOYSA-N -1 0 337.375 3.642 20 0 EHADRM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000828162305 601193337 /nfs/dbraw/zinc/19/33/37/601193337.db2.gz VXRMSGWSJXSGPC-SWLSCSKDSA-N -1 0 333.432 3.791 20 0 EHADRM COc1ccc(NC(=O)C/C=C/c2ccc(F)cc2)c(C(=O)[O-])c1 ZINC000564138871 601199672 /nfs/dbraw/zinc/19/96/72/601199672.db2.gz MHYDATYQBIVGMT-NSCUHMNNSA-N -1 0 329.327 3.575 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2cccc(NC3CCCC3)c2)C1 ZINC000833186425 601211042 /nfs/dbraw/zinc/21/10/42/601211042.db2.gz LXLKMQIVFQKMKQ-ZIAGYGMSSA-N -1 0 330.428 3.871 20 0 EHADRM CO[C@H](C)c1nc(CNc2cc(Cl)cc(C(=O)[O-])c2)cs1 ZINC000831500570 601223354 /nfs/dbraw/zinc/22/33/54/601223354.db2.gz JZIHVFBSSJARPV-MRVPVSSYSA-N -1 0 326.805 3.814 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)CCCc1ccc(C)s1 ZINC000825942386 601238886 /nfs/dbraw/zinc/23/88/86/601238886.db2.gz WIMLKBZAPIYYLP-UHFFFAOYSA-N -1 0 346.404 3.886 20 0 EHADRM C[C@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1cccc(Cl)c1Cl ZINC000237450110 601246700 /nfs/dbraw/zinc/24/67/00/601246700.db2.gz KODWTOLNFJHFLT-QMMMGPOBSA-N -1 0 339.178 3.578 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1Oc1ccnc(C(C)(C)C)n1 ZINC000831975086 601247729 /nfs/dbraw/zinc/24/77/29/601247729.db2.gz BDGNCXMIQDHFCT-SOFGYWHQSA-N -1 0 328.368 3.673 20 0 EHADRM CN(Cc1ccc(NCCOc2ccccc2Cl)cc1)C(=O)[O-] ZINC000830841203 601250110 /nfs/dbraw/zinc/25/01/10/601250110.db2.gz XUQNYZZUUJGRJG-UHFFFAOYSA-N -1 0 334.803 3.941 20 0 EHADRM CCCc1ccccc1N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000829567079 601264628 /nfs/dbraw/zinc/26/46/28/601264628.db2.gz YAYNIRJPXKJFQT-OAHLLOKOSA-N -1 0 344.436 3.616 20 0 EHADRM CCC1CCC(NC(=O)C[C@H](C)c2ccccc2OC)(C(=O)[O-])CC1 ZINC000346001844 601274824 /nfs/dbraw/zinc/27/48/24/601274824.db2.gz WFEIIKAOGSYVHT-BQTBQCLESA-N -1 0 347.455 3.729 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000236686182 601278018 /nfs/dbraw/zinc/27/80/18/601278018.db2.gz DHWRHODWAUGQQI-FPAJZGIOSA-N -1 0 333.384 3.623 20 0 EHADRM C[C@]1(CCc2ccccc2)CCN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C1 ZINC000262525457 601278664 /nfs/dbraw/zinc/27/86/64/601278664.db2.gz GJVJIMFFDNMGHJ-LQWHRVPQSA-N -1 0 343.467 3.749 20 0 EHADRM CN(Cc1ccccc1-c1ccccc1)C(=O)c1ccnc(C(=O)[O-])c1 ZINC000237174648 601282014 /nfs/dbraw/zinc/28/20/14/601282014.db2.gz SEAYWFLSPXVSHW-UHFFFAOYSA-N -1 0 346.386 3.719 20 0 EHADRM CC(C)[C@H](C(=O)NCc1ccc(C(=O)[O-])o1)c1cccc(Cl)c1 ZINC000262043930 601285266 /nfs/dbraw/zinc/28/52/66/601285266.db2.gz DIIMYFFPFAEMFA-HNNXBMFYSA-N -1 0 335.787 3.687 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000829014145 601285584 /nfs/dbraw/zinc/28/55/84/601285584.db2.gz DJHQOSXNMMEUHN-MRXNPFEDSA-N -1 0 342.395 3.559 20 0 EHADRM CN(C(=O)C/C=C/c1cccc(F)c1)[C@H](C(=O)[O-])c1ccccc1 ZINC000830471325 601286613 /nfs/dbraw/zinc/28/66/13/601286613.db2.gz BMOMYDMLTPVTDX-IWHGQQBYSA-N -1 0 327.355 3.513 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c(F)c1 ZINC000832911740 601287932 /nfs/dbraw/zinc/28/79/32/601287932.db2.gz VJFQKDCPZZXECZ-HNNXBMFYSA-N -1 0 335.762 3.733 20 0 EHADRM O=C([O-])c1cn(CC(=O)Nc2ccc3ccccc3n2)c2ccccc12 ZINC000833120072 601297288 /nfs/dbraw/zinc/29/72/88/601297288.db2.gz NNIZJJUQSVAKIG-UHFFFAOYSA-N -1 0 345.358 3.526 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)CCCc1cccs1)c1ccccc1 ZINC000237498911 601298496 /nfs/dbraw/zinc/29/84/96/601298496.db2.gz UQHKYBNRVHVEEJ-SUMWQHHRSA-N -1 0 331.437 3.649 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC000237624232 601298976 /nfs/dbraw/zinc/29/89/76/601298976.db2.gz UUHWTLFBOLAODN-BONVTDFDSA-N -1 0 335.762 3.671 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@H](C)c1ccccc1C(F)(F)F ZINC000828776859 601305499 /nfs/dbraw/zinc/30/54/99/601305499.db2.gz WIEKHBJQGSUVDQ-LLVKDONJSA-N -1 0 345.361 3.959 20 0 EHADRM Cc1cc(C)cc(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000832878365 601308751 /nfs/dbraw/zinc/30/87/51/601308751.db2.gz CKIOENMLJMAXNT-INIZCTEOSA-N -1 0 330.359 3.780 20 0 EHADRM Cn1cc(NC(=O)CCc2ccc(-c3ccccc3)o2)cc1C(=O)[O-] ZINC000833045649 601319447 /nfs/dbraw/zinc/31/94/47/601319447.db2.gz PERHYNSBDMWIBO-UHFFFAOYSA-N -1 0 338.363 3.555 20 0 EHADRM Cn1cc(NC(=O)c2sccc2-c2ccccc2)cc1C(=O)[O-] ZINC000833051260 601321521 /nfs/dbraw/zinc/32/15/21/601321521.db2.gz QVTMXPHOANGJCT-UHFFFAOYSA-N -1 0 326.377 3.704 20 0 EHADRM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000828151741 601333079 /nfs/dbraw/zinc/33/30/79/601333079.db2.gz ZUDPXQXLDSAHKY-SWLSCSKDSA-N -1 0 342.370 3.934 20 0 EHADRM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000828148949 601336499 /nfs/dbraw/zinc/33/64/99/601336499.db2.gz FVNLYLYORATBPM-SWLSCSKDSA-N -1 0 342.370 3.934 20 0 EHADRM CCO[C@@H]1C[C@H](NC(=O)Nc2ccc(NC(=O)[O-])cc2)C1(CC)CC ZINC000829924748 601336947 /nfs/dbraw/zinc/33/69/47/601336947.db2.gz KJWZXVNLNXLHKY-LSDHHAIUSA-N -1 0 349.431 3.882 20 0 EHADRM Cc1nc(=O)[nH]c(S[C@H]2CCCCc3ccccc32)c1C(=O)[O-] ZINC000832843548 601345005 /nfs/dbraw/zinc/34/50/05/601345005.db2.gz XKSMAAUIFWVXMM-ZDUSSCGKSA-N -1 0 330.409 3.749 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CNc1ccccc1OCC(F)(F)F ZINC000833026206 601390727 /nfs/dbraw/zinc/39/07/27/601390727.db2.gz YSWNGVAWZDYCQE-UHFFFAOYSA-N -1 0 329.274 3.839 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CNc1ccccc1OC[C@H]1CCCCO1 ZINC000833025431 601391468 /nfs/dbraw/zinc/39/14/68/601391468.db2.gz KRWTWBZQTIJBHP-OAHLLOKOSA-N -1 0 345.395 3.846 20 0 EHADRM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccccc1)c1ccc(Cl)s1 ZINC000178277537 601391497 /nfs/dbraw/zinc/39/14/97/601391497.db2.gz SWPXRDXTTQYZHS-PWSUYJOCSA-N -1 0 337.828 3.837 20 0 EHADRM COc1ccc([C@H](C)CC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000237237143 601391686 /nfs/dbraw/zinc/39/16/86/601391686.db2.gz QRSOSWINWOIMBV-KDOFPFPSSA-N -1 0 341.407 3.521 20 0 EHADRM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1ccccc1)c1ccc(Cl)s1 ZINC000178277565 601391704 /nfs/dbraw/zinc/39/17/04/601391704.db2.gz SWPXRDXTTQYZHS-ZYHUDNBSSA-N -1 0 337.828 3.837 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CNc1cccc(CC(=O)OC(C)(C)C)c1 ZINC000833025798 601392096 /nfs/dbraw/zinc/39/20/96/601392096.db2.gz QYRARNUFPLNHPG-UHFFFAOYSA-N -1 0 345.395 3.783 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000828758237 601392584 /nfs/dbraw/zinc/39/25/84/601392584.db2.gz IWEGUDOASDERFB-WFASDCNBSA-N -1 0 347.436 3.871 20 0 EHADRM C[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccc(Cl)s1 ZINC000479493956 601400897 /nfs/dbraw/zinc/40/08/97/601400897.db2.gz AWSWBHWCOUQJPR-ZETCQYMHSA-N -1 0 327.764 3.981 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000828765095 601406510 /nfs/dbraw/zinc/40/65/10/601406510.db2.gz VYKWMYRTHXEASI-CYBMUJFWSA-N -1 0 342.395 3.884 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC(c3cccc(F)c3)CC2)cc1 ZINC000833309206 601427832 /nfs/dbraw/zinc/42/78/32/601427832.db2.gz OSSIMLNYVFBVQE-UHFFFAOYSA-N -1 0 327.355 3.544 20 0 EHADRM Cc1cc(C)c(NC(=O)CNc2ccccc2C(=O)[O-])c(Cl)c1 ZINC000832875538 601440708 /nfs/dbraw/zinc/44/07/08/601440708.db2.gz ZDGSMABHZPBXNK-UHFFFAOYSA-N -1 0 332.787 3.706 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)Nc2cccc(F)c2C(=O)[O-])cc1 ZINC000828765083 601447725 /nfs/dbraw/zinc/44/77/25/601447725.db2.gz VMXVSSTUOXJUDC-LLVKDONJSA-N -1 0 331.343 3.954 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)CCC(C)(F)F)ccc2n1C ZINC000832851768 601449670 /nfs/dbraw/zinc/44/96/70/601449670.db2.gz YUBVGWSVNDDMMG-UHFFFAOYSA-N -1 0 325.311 3.526 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)cc1 ZINC000830513467 601449906 /nfs/dbraw/zinc/44/99/06/601449906.db2.gz BGZXIGLDYZBSBC-UHFFFAOYSA-N -1 0 342.248 3.610 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)CCc1ccc(Cl)cc1Cl ZINC000237095088 601460902 /nfs/dbraw/zinc/46/09/02/601460902.db2.gz QWHLEONAZIFPJE-OAHLLOKOSA-N -1 0 332.227 3.686 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cnc(-c2ccc(C)cc2C)s1 ZINC000767051754 601467193 /nfs/dbraw/zinc/46/71/93/601467193.db2.gz OYMURLXTFRHIQJ-GOSISDBHSA-N -1 0 346.452 3.800 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000829014994 601471679 /nfs/dbraw/zinc/47/16/79/601471679.db2.gz WLAKAZPXSLEGIK-QWHCGFSZSA-N -1 0 332.352 3.748 20 0 EHADRM C[C@H](CC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-])c1ccccc1F ZINC000262562746 601475441 /nfs/dbraw/zinc/47/54/41/601475441.db2.gz ZDJDSHPQJJDCRF-BFUOFWGJSA-N -1 0 341.382 3.530 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000833026250 601475505 /nfs/dbraw/zinc/47/55/05/601475505.db2.gz ZEIUFBJABHDTKO-ZETCQYMHSA-N -1 0 328.773 3.848 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2ccccc2-c2cccs2)CCC1 ZINC000649537503 601476315 /nfs/dbraw/zinc/47/63/15/601476315.db2.gz IJWCFCXOGSMAAQ-UHFFFAOYSA-N -1 0 330.409 3.934 20 0 EHADRM CC(C)C1(CNC(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)CC1 ZINC000826727555 601484786 /nfs/dbraw/zinc/48/47/86/601484786.db2.gz PYNHQQMDHVJCCJ-UHFFFAOYSA-N -1 0 345.443 3.543 20 0 EHADRM Cc1ccc(/C=C/CC(=O)NC[C@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000832928767 601501514 /nfs/dbraw/zinc/50/15/14/601501514.db2.gz WIYVKMRDJDQLSI-RTLBZRNLSA-N -1 0 337.419 3.691 20 0 EHADRM Cc1ccc(/C=C\CC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000832927881 601506400 /nfs/dbraw/zinc/50/64/00/601506400.db2.gz LKXZDGNMSTUBBP-JDSYDOCNSA-N -1 0 337.419 3.977 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(Cl)cc2)cc(C)c1OCC(=O)[O-] ZINC000237788265 601525050 /nfs/dbraw/zinc/52/50/50/601525050.db2.gz VAVLPIUZVUBCKG-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CC1CCC(c2ccccc2)CC1)C1CC1 ZINC000767076605 601530928 /nfs/dbraw/zinc/53/09/28/601530928.db2.gz NWVPDQDQSXGRLZ-JFUPDXTOSA-N -1 0 329.440 3.720 20 0 EHADRM O=C([O-])c1cc(NC(=O)C2(Cc3ccccc3)CC2)c(F)cc1F ZINC000833301709 601531497 /nfs/dbraw/zinc/53/14/97/601531497.db2.gz VTASKAZOYHFWPV-UHFFFAOYSA-N -1 0 331.318 3.624 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccccc1SCc1ccco1)C1CC1 ZINC000833200660 601541244 /nfs/dbraw/zinc/54/12/44/601541244.db2.gz XBJQKZZKHVBHTJ-OAHLLOKOSA-N -1 0 345.420 3.555 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1Cc1ncc(-c2cccs2)o1 ZINC000833195424 601548948 /nfs/dbraw/zinc/54/89/48/601548948.db2.gz DJZXEXBOJXIWBK-QGZVFWFLSA-N -1 0 340.404 3.587 20 0 EHADRM C[C@H]1CN(c2ncnc3sc(-c4ccccc4)cc32)C[C@@H]1C(=O)[O-] ZINC000828499553 601562564 /nfs/dbraw/zinc/56/25/64/601562564.db2.gz CCGTUUFERDEUAS-FZMZJTMJSA-N -1 0 339.420 3.515 20 0 EHADRM C[C@@H](Sc1ccccn1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000827921854 601572180 /nfs/dbraw/zinc/57/21/80/601572180.db2.gz JEAKGVALPWWZFQ-GFCCVEGCSA-N -1 0 344.436 3.563 20 0 EHADRM C[C@H](Sc1ccccn1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000827921856 601572202 /nfs/dbraw/zinc/57/22/02/601572202.db2.gz JEAKGVALPWWZFQ-LBPRGKRZSA-N -1 0 344.436 3.563 20 0 EHADRM CC(C)Oc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000678983775 601580494 /nfs/dbraw/zinc/58/04/94/601580494.db2.gz LSWYHUBPSBHICJ-INIZCTEOSA-N -1 0 347.798 3.683 20 0 EHADRM Cc1c2ccccc2oc1C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000540665669 601582517 /nfs/dbraw/zinc/58/25/17/601582517.db2.gz QOYHWQLOAVRLMU-OAHLLOKOSA-N -1 0 343.766 3.950 20 0 EHADRM Cc1nc(CC(C)C)c(C(=O)OCc2cc(C(=O)[O-])oc2C)s1 ZINC000832998841 601606312 /nfs/dbraw/zinc/60/63/12/601606312.db2.gz OFZCPXWWWGACRE-UHFFFAOYSA-N -1 0 337.397 3.607 20 0 EHADRM O=C(C=C1CCC1)OCc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833093203 601610812 /nfs/dbraw/zinc/61/08/12/601610812.db2.gz VJKTVGSLJJRMNP-UHFFFAOYSA-N -1 0 329.377 3.662 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Nc1ccc2c(c1)CCC2)c1ccccc1 ZINC000826038549 601614931 /nfs/dbraw/zinc/61/49/31/601614931.db2.gz GLNXIZGTGDZDMI-ACJLOTCBSA-N -1 0 338.407 3.759 20 0 EHADRM Cc1ccc(Oc2ccccc2NC(=O)NC[C@@H](C)C(=O)[O-])cc1 ZINC000832953318 601615845 /nfs/dbraw/zinc/61/58/45/601615845.db2.gz HEKBMQJREGUZJZ-CYBMUJFWSA-N -1 0 328.368 3.630 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)NC[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000832953377 601615872 /nfs/dbraw/zinc/61/58/72/601615872.db2.gz JXGDCQMGGWXRMN-CYBMUJFWSA-N -1 0 328.368 3.630 20 0 EHADRM CC(C)c1cccc(O[C@H](C)C(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000236804868 601616393 /nfs/dbraw/zinc/61/63/93/601616393.db2.gz WYYZLNKIXZCJKF-CQSZACIVSA-N -1 0 341.407 3.843 20 0 EHADRM CC(C)c1cc(C(=O)Nc2ccccc2CC(=O)[O-])nn1C(C)(C)C ZINC000236619394 601616882 /nfs/dbraw/zinc/61/68/82/601616882.db2.gz FDJUXHRIKBMRAZ-UHFFFAOYSA-N -1 0 343.427 3.641 20 0 EHADRM CCCCc1ccc(N(C)C(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000829430570 601618452 /nfs/dbraw/zinc/61/84/52/601618452.db2.gz CROGIPGDJNXVNA-UHFFFAOYSA-N -1 0 341.407 3.769 20 0 EHADRM C[C@@H](c1ccco1)N(C(=O)Nc1cccc(OCC(=O)[O-])c1)C1CC1 ZINC000827957231 601618994 /nfs/dbraw/zinc/61/89/94/601618994.db2.gz MIKQECKOACRGHV-LBPRGKRZSA-N -1 0 344.367 3.501 20 0 EHADRM C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)c1cccs1 ZINC000262149566 601622153 /nfs/dbraw/zinc/62/21/53/601622153.db2.gz TUXDHMMQIMSLDV-GWCFXTLKSA-N -1 0 337.828 3.837 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CSc1nncn1-c1ccccc1F ZINC000833030877 601622261 /nfs/dbraw/zinc/62/22/61/601622261.db2.gz FKTVEJYOSIUJFH-UHFFFAOYSA-N -1 0 349.412 3.767 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Nc1ccc2nc(C3CC3)sc2c1)C1CC1 ZINC000833198811 601622609 /nfs/dbraw/zinc/62/26/09/601622609.db2.gz LLOOHGXKMKJFCB-ZDUSSCGKSA-N -1 0 345.424 3.549 20 0 EHADRM C[C@@H](Oc1ccccc1NC(=O)NC[C@H](C)C(=O)[O-])c1ccccc1 ZINC000653539168 601624879 /nfs/dbraw/zinc/62/48/79/601624879.db2.gz UZCRDMIEWPSBRG-UONOGXRCSA-N -1 0 342.395 3.669 20 0 EHADRM O=C([O-])[C@H]1CCCCN1C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000136476108 601627774 /nfs/dbraw/zinc/62/77/74/601627774.db2.gz WUEYQVUMWJUTGC-SGMGOOAPSA-N -1 0 342.222 3.563 20 0 EHADRM O=C([O-])c1ccc(Cn2c3ccccc3nc2C(F)(F)F)cc1F ZINC000833318051 601629101 /nfs/dbraw/zinc/62/91/01/601629101.db2.gz TVESYLZSWJGIEP-UHFFFAOYSA-N -1 0 338.260 3.941 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc(-c2ccc(Cl)cc2)cc1F)C1CC1 ZINC000738601023 601633703 /nfs/dbraw/zinc/63/37/03/601633703.db2.gz FVQOCRZVALTMSG-UHFFFAOYSA-N -1 0 347.773 3.835 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2c[nH]nc2-c2ccccc2Cl)cc1 ZINC000766737829 601635361 /nfs/dbraw/zinc/63/53/61/601635361.db2.gz CXJRFKSIBBWEHY-UHFFFAOYSA-N -1 0 341.754 3.681 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc(Oc2ccccc2Cl)cc1)C1CC1 ZINC000833245641 601638533 /nfs/dbraw/zinc/63/85/33/601638533.db2.gz AMWQDDNYQGAKRX-UHFFFAOYSA-N -1 0 345.782 3.822 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCCc1ccc(F)c(F)c1)c1ccccc1 ZINC000238206427 601641687 /nfs/dbraw/zinc/64/16/87/601641687.db2.gz LSXIUUWHLMYJJZ-KRWDZBQOSA-N -1 0 347.361 3.620 20 0 EHADRM CCCCC[C@@H](NC(=O)c1cccc(Oc2nccs2)c1)C(=O)[O-] ZINC000776665003 601645890 /nfs/dbraw/zinc/64/58/90/601645890.db2.gz XFOPODDQNNWEGE-CQSZACIVSA-N -1 0 348.424 3.699 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NCc1csc(C(C)(C)C)n1)c1ccccc1 ZINC000277534951 601657198 /nfs/dbraw/zinc/65/71/98/601657198.db2.gz ZJKZBFARCIMKFB-IUODEOHRSA-N -1 0 332.469 3.992 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)c1cc(F)cc(Cl)c1 ZINC000833333628 601665405 /nfs/dbraw/zinc/66/54/05/601665405.db2.gz DNIJLXJPWWDJGF-UHFFFAOYSA-N -1 0 333.746 3.770 20 0 EHADRM C[C@H](CSc1ccc(F)cc1)C(=O)Nc1sccc1C(=O)[O-] ZINC000827581763 601670883 /nfs/dbraw/zinc/67/08/83/601670883.db2.gz RFIZQWGAOZEBOJ-SECBINFHSA-N -1 0 339.413 3.952 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CSc1nncn1-c1ccccc1 ZINC000833031228 601671211 /nfs/dbraw/zinc/67/12/11/601671211.db2.gz IAQYWTKOWOCTLC-UHFFFAOYSA-N -1 0 331.422 3.628 20 0 EHADRM C[C@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)C=C1CCC1 ZINC000827956501 601673035 /nfs/dbraw/zinc/67/30/35/601673035.db2.gz HQPNGESJMCZJDQ-CYBMUJFWSA-N -1 0 340.379 3.573 20 0 EHADRM Cc1cc(C(=O)Nc2ccc3[nH]ccc3c2)cc(C)c1OCC(=O)[O-] ZINC000237888078 601674532 /nfs/dbraw/zinc/67/45/32/601674532.db2.gz BYMUPYKYVNMZOQ-UHFFFAOYSA-N -1 0 338.363 3.500 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1F ZINC000326913684 601677156 /nfs/dbraw/zinc/67/71/56/601677156.db2.gz NOAPUBSVGJBBAN-LBPRGKRZSA-N -1 0 342.370 3.619 20 0 EHADRM C[C@H](N(C)C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)C1(C)CC1 ZINC000827603004 601688391 /nfs/dbraw/zinc/68/83/91/601688391.db2.gz FFTVCLHEGUOBNV-ZDUSSCGKSA-N -1 0 345.443 3.637 20 0 EHADRM Cc1ccc(SC2(C(=O)N3C[C@H](C)[C@@H](C(=O)[O-])C3)CCCC2)cc1 ZINC000832958251 601696326 /nfs/dbraw/zinc/69/63/26/601696326.db2.gz XZZZAZHLRZHVIW-HOCLYGCPSA-N -1 0 347.480 3.579 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1nc(Cl)ccc1Cl ZINC000833030905 601702639 /nfs/dbraw/zinc/70/26/39/601702639.db2.gz FYHQFQKZFXUQCL-UHFFFAOYSA-N -1 0 346.191 3.814 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)OCc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000832911406 601702677 /nfs/dbraw/zinc/70/26/77/601702677.db2.gz NBWQJXGLUWTUBE-UHFFFAOYSA-N -1 0 344.338 3.539 20 0 EHADRM CC(C)(CNC(=O)c1cc(-c2ccccc2)ccc1Cl)C(=O)[O-] ZINC000236715438 601710159 /nfs/dbraw/zinc/71/01/59/601710159.db2.gz XMZJPNSPFOEBKG-UHFFFAOYSA-N -1 0 331.799 3.848 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)C1(c2ccc(F)cc2)CC1 ZINC000833032156 601721323 /nfs/dbraw/zinc/72/13/23/601721323.db2.gz UENMOPLJUYUJQW-UHFFFAOYSA-N -1 0 334.368 3.669 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1F ZINC000833313883 601724129 /nfs/dbraw/zinc/72/41/29/601724129.db2.gz FOFUHNCATICHEO-MNOVXSKESA-N -1 0 348.292 3.936 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)CCc1cccc(F)c1F ZINC000833030746 601727083 /nfs/dbraw/zinc/72/70/83/601727083.db2.gz CXLZNYSIJMZGNU-UHFFFAOYSA-N -1 0 340.347 3.709 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCc3cc(-c4ccccc4)oc3C2)cc1 ZINC000833311109 601727719 /nfs/dbraw/zinc/72/77/19/601727719.db2.gz TWYLOQJMBVBIEA-UHFFFAOYSA-N -1 0 347.370 3.843 20 0 EHADRM O=C([O-])[C@H]1CCCCN1C(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000238049217 601743278 /nfs/dbraw/zinc/74/32/78/601743278.db2.gz GPFQJPLLEOUKPU-LLVKDONJSA-N -1 0 341.194 3.554 20 0 EHADRM CC(C)[C@@H](C(=O)Nc1nc(CCCC(=O)[O-])cs1)c1ccccc1 ZINC000826676707 601748477 /nfs/dbraw/zinc/74/84/77/601748477.db2.gz JXIUOJYTIXZFRL-MRXNPFEDSA-N -1 0 346.452 3.929 20 0 EHADRM CSc1cc(C)ccc1CNC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000832774226 601751884 /nfs/dbraw/zinc/75/18/84/601751884.db2.gz HJIBQVBTQRXTCY-UHFFFAOYSA-N -1 0 348.399 3.876 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC000832994684 601753643 /nfs/dbraw/zinc/75/36/43/601753643.db2.gz WPRGGXIUIMVCTE-LBPRGKRZSA-N -1 0 338.473 3.512 20 0 EHADRM CC[C@H](NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC000237045545 601754545 /nfs/dbraw/zinc/75/45/45/601754545.db2.gz YAEKVWHXSOBTLO-PLWJUESGSA-N -1 0 333.384 3.547 20 0 EHADRM CC(C)CC1(CNC(=O)Nc2ccc(CNC(=O)[O-])cc2)CCC1 ZINC000826826747 601756348 /nfs/dbraw/zinc/75/63/48/601756348.db2.gz OPRCXYAHEIHLHJ-UHFFFAOYSA-N -1 0 333.432 3.792 20 0 EHADRM Cc1ccc(Cl)c(NC(=S)N2C[C@@H](C)[C@H](C(=O)[O-])C2)c1Cl ZINC000832935854 601765309 /nfs/dbraw/zinc/76/53/09/601765309.db2.gz ZRFWBHVEESBMKJ-RKDXNWHRSA-N -1 0 347.267 3.651 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CCCCC(=O)c1ccccc1)C1CCCCC1 ZINC000833097283 601787282 /nfs/dbraw/zinc/78/72/82/601787282.db2.gz JBCNRXUNTDNATN-IBGZPJMESA-N -1 0 345.439 3.579 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)N3C[C@H](C)[C@H](C(=O)[O-])C3)cc2s1 ZINC000827153619 601789692 /nfs/dbraw/zinc/78/96/92/601789692.db2.gz VESURTHLZOUQKA-CMPLNLGQSA-N -1 0 347.440 3.604 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)Oc2ccc(C(=O)[O-])cc2OC)c1 ZINC000832533597 601800118 /nfs/dbraw/zinc/80/01/18/601800118.db2.gz NXTBYNLCXMGSFL-LBPRGKRZSA-N -1 0 344.363 3.501 20 0 EHADRM COc1cccc([C@H](C)CC(=O)N(C)c2ccccc2C(=O)[O-])c1 ZINC000832528112 601800123 /nfs/dbraw/zinc/80/01/23/601800123.db2.gz HGQCHQAWLWSEHF-CYBMUJFWSA-N -1 0 327.380 3.550 20 0 EHADRM C[C@H](C(=O)Nc1nc(CC(=O)[O-])cs1)c1ccc2ccccc2c1 ZINC000826025670 601802225 /nfs/dbraw/zinc/80/22/25/601802225.db2.gz FINKQOPAACIUOH-NSHDSACASA-N -1 0 340.404 3.666 20 0 EHADRM CC[C@H](C)c1ccc(NC(=O)CNc2cccc(C(=O)[O-])c2)cc1 ZINC000828764954 601803347 /nfs/dbraw/zinc/80/33/47/601803347.db2.gz RMITVTOVULADGI-ZDUSSCGKSA-N -1 0 326.396 3.949 20 0 EHADRM O=C([O-])c1cccc(NCC(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000833110633 601803401 /nfs/dbraw/zinc/80/34/01/601803401.db2.gz RHMUDMAZZOXIRB-UHFFFAOYSA-N -1 0 339.178 3.742 20 0 EHADRM CN(Cc1ccsc1C(=O)[O-])Cc1ccccc1OC(F)(F)F ZINC000652385708 601805616 /nfs/dbraw/zinc/80/56/16/601805616.db2.gz WVDMFFDBVMOTKA-UHFFFAOYSA-N -1 0 345.342 3.977 20 0 EHADRM Cc1cccc(OCC(=O)Nc2scc(C3CC3)c2C(=O)[O-])c1 ZINC000832972133 601808018 /nfs/dbraw/zinc/80/80/18/601808018.db2.gz LWNSEHMHYHZMNF-UHFFFAOYSA-N -1 0 331.393 3.650 20 0 EHADRM O=C([O-])c1c(C2CC2)csc1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000833294303 601808757 /nfs/dbraw/zinc/80/87/57/601808757.db2.gz ASQYAELJFKZWOC-FOSCPWQOSA-N -1 0 347.436 3.658 20 0 EHADRM O=C([O-])c1c(C2CC2)csc1NC(=O)c1cc2c(s1)CCOC2 ZINC000738517225 601809709 /nfs/dbraw/zinc/80/97/09/601809709.db2.gz JMLLGTKWNNIQNU-UHFFFAOYSA-N -1 0 349.433 3.710 20 0 EHADRM O=C([O-])c1c(C2CC2)csc1NC(=O)/C=C/c1cncc(F)c1 ZINC000738453430 601809778 /nfs/dbraw/zinc/80/97/78/601809778.db2.gz KVDPNPXNCUCWEY-DAFODLJHSA-N -1 0 332.356 3.510 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1cc2cccc(Cl)c2o1)c1ccccc1 ZINC000833132476 601813668 /nfs/dbraw/zinc/81/36/68/601813668.db2.gz CDXSMWDXRJKZAH-ZDUSSCGKSA-N -1 0 343.766 3.684 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1 ZINC000537479842 601814513 /nfs/dbraw/zinc/81/45/13/601814513.db2.gz PPVSDKHWMCENBY-JKSUJKDBSA-N -1 0 335.831 3.547 20 0 EHADRM CC[C@@H]1CC[C@H](C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])O1 ZINC000829081152 601815169 /nfs/dbraw/zinc/81/51/69/601815169.db2.gz LLBWDLXHZALNJF-MWLCHTKSSA-N -1 0 325.430 3.640 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)N1CCC(CCC(=O)[O-])CC1)c1ccccc1 ZINC000324426995 601816339 /nfs/dbraw/zinc/81/63/39/601816339.db2.gz OWDGQBSXSGWKMX-HNAYVOBHSA-N -1 0 331.456 3.920 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000659393102 601824288 /nfs/dbraw/zinc/82/42/88/601824288.db2.gz QKLGJAZTWXNKBT-GVDBMIGSSA-N -1 0 336.476 3.632 20 0 EHADRM Cc1ccccc1CNC(=O)[C@H](C)SCc1ccc(C(=O)[O-])s1 ZINC000832978295 601847070 /nfs/dbraw/zinc/84/70/70/601847070.db2.gz XPRZBFNSWMHNJN-LBPRGKRZSA-N -1 0 349.477 3.693 20 0 EHADRM Cc1ccccc1CNC(=O)[C@@H](C)SCc1ccc(C(=O)[O-])s1 ZINC000832978294 601847077 /nfs/dbraw/zinc/84/70/77/601847077.db2.gz XPRZBFNSWMHNJN-GFCCVEGCSA-N -1 0 349.477 3.693 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)NCc2csc3ccccc23)c1 ZINC000833146099 601850893 /nfs/dbraw/zinc/85/08/93/601850893.db2.gz PUIIRWNJKCBRRF-UHFFFAOYSA-N -1 0 340.404 3.599 20 0 EHADRM COc1ccc(CNC(=O)N2CCCC[C@@H]2CC(C)C)cc1C(=O)[O-] ZINC000832323516 601851003 /nfs/dbraw/zinc/85/10/03/601851003.db2.gz LXAXQOZYGSMPQO-OAHLLOKOSA-N -1 0 348.443 3.504 20 0 EHADRM Cc1ccc(Cl)c(NC(=S)N2CC[C@](C)(C(=O)[O-])C2)c1Cl ZINC000832934684 601853184 /nfs/dbraw/zinc/85/31/84/601853184.db2.gz IQFVLNWVBVVSPN-AWEZNQCLSA-N -1 0 347.267 3.795 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cncc(-c2ccccc2)c1 ZINC000828794006 601868116 /nfs/dbraw/zinc/86/81/16/601868116.db2.gz HCOKJCDEFNLIQK-UHFFFAOYSA-N -1 0 326.396 3.512 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)c2ccc(Cl)s2)cc1 ZINC000833264027 601875959 /nfs/dbraw/zinc/87/59/59/601875959.db2.gz CEYCVOGTFYCTJQ-UHFFFAOYSA-N -1 0 328.798 3.797 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)c2ccc(Cl)cc2F)cc1 ZINC000833264368 601879155 /nfs/dbraw/zinc/87/91/55/601879155.db2.gz OQFTYSWDOWQVLD-UHFFFAOYSA-N -1 0 340.759 3.875 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)Nc1nc(C2CC2)cs1 ZINC000833166458 601884693 /nfs/dbraw/zinc/88/46/93/601884693.db2.gz YSAWCFKLBVBNDC-NEPJUHHUSA-N -1 0 337.445 3.566 20 0 EHADRM CCC[C@@H](NC(=O)[O-])C(=O)Nc1ccccc1COc1ccccc1 ZINC000739324856 601885408 /nfs/dbraw/zinc/88/54/08/601885408.db2.gz FKBGBMZMDFNQLN-QGZVFWFLSA-N -1 0 342.395 3.640 20 0 EHADRM O=C([O-])c1ccc(CSc2nnc(-c3ccc(F)cc3)o2)s1 ZINC000833316948 601889342 /nfs/dbraw/zinc/88/93/42/601889342.db2.gz ILUKHSHCGSGKHM-UHFFFAOYSA-N -1 0 336.369 3.928 20 0 EHADRM Cc1ccc(-c2nc(SCc3ccc(C(=O)[O-])s3)n[nH]2)cc1 ZINC000832907808 601891876 /nfs/dbraw/zinc/89/18/76/601891876.db2.gz NDQUQUBHPFJCQJ-UHFFFAOYSA-N -1 0 331.422 3.832 20 0 EHADRM CSc1ccsc1C(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000832790589 601900536 /nfs/dbraw/zinc/90/05/36/601900536.db2.gz NDBOVASDFYTBQY-GHMZBOCLSA-N -1 0 327.471 3.623 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)c1ccc(Cl)nc1Cl ZINC000833131981 601905772 /nfs/dbraw/zinc/90/57/72/601905772.db2.gz MOIWSZOOTGPSEH-ONGXEEELSA-N -1 0 345.226 3.542 20 0 EHADRM CN(C(=O)[C@H]1CC12CCC2)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000830457894 601908273 /nfs/dbraw/zinc/90/82/73/601908273.db2.gz OXBRPRWXKPTTMO-MFKMUULPSA-N -1 0 342.222 3.768 20 0 EHADRM Cc1ccc(-c2cncc(C(=O)NCc3cccc(C(=O)[O-])c3)c2)cc1 ZINC000678932112 601918490 /nfs/dbraw/zinc/91/84/90/601918490.db2.gz KQYPWKYTHFDXNV-UHFFFAOYSA-N -1 0 346.386 3.685 20 0 EHADRM CCCN(C(=O)C1CCC(NC(=O)[O-])CC1)[C@@H]1CCc2ccccc21 ZINC000739353419 601927442 /nfs/dbraw/zinc/92/74/42/601927442.db2.gz SLJFMJMNNKJKIT-LEOMRAHMSA-N -1 0 344.455 3.739 20 0 EHADRM Cc1ccc(NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])cc1O ZINC000832948204 601934975 /nfs/dbraw/zinc/93/49/75/601934975.db2.gz WASWEFMKBGCJOC-NSHDSACASA-N -1 0 331.393 3.518 20 0 EHADRM CCC[C@H](NC(=O)[O-])C(=O)N1Cc2ccccc2-c2ccccc2C1 ZINC000739312718 601962301 /nfs/dbraw/zinc/96/23/01/601962301.db2.gz PXCRIIRKBMDQBH-SFHVURJKSA-N -1 0 338.407 3.632 20 0 EHADRM CCO[C@H]1CCCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000652394768 601972241 /nfs/dbraw/zinc/97/22/41/601972241.db2.gz FGXRHHLLOPEFPW-KBPBESRZSA-N -1 0 332.227 3.620 20 0 EHADRM COc1cccc2c1CC[C@H]2NC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000832577020 601988516 /nfs/dbraw/zinc/98/85/16/601988516.db2.gz BXUPHXKZRWIZSH-MRXNPFEDSA-N -1 0 340.379 3.511 20 0 EHADRM C[C@@H](C(=O)N(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1)C1CCCC1 ZINC000825966478 601999876 /nfs/dbraw/zinc/99/98/76/601999876.db2.gz DRDDYACWSMRCEV-PSLIRLAXSA-N -1 0 343.345 3.514 20 0 EHADRM CC(C)(C)n1nc(C(=O)OCc2ccc(C(=O)[O-])s2)cc1C1CC1 ZINC000826529626 602003569 /nfs/dbraw/zinc/00/35/69/602003569.db2.gz RPQHAEXJEGUPLU-UHFFFAOYSA-N -1 0 348.424 3.632 20 0 EHADRM CCOc1ccc(CCC(=O)OCc2ccc(C(=O)[O-])s2)cc1 ZINC000830070877 602005230 /nfs/dbraw/zinc/00/52/30/602005230.db2.gz KBIHFLPARSIOOU-UHFFFAOYSA-N -1 0 334.393 3.521 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000236737521 602005792 /nfs/dbraw/zinc/00/57/92/602005792.db2.gz GUNWPEXXGYWCOD-GOSISDBHSA-N -1 0 333.453 3.682 20 0 EHADRM O=C([O-])c1ccc(COC(=O)Cc2c[nH]c3cc(Cl)ccc23)s1 ZINC000833116568 602008689 /nfs/dbraw/zinc/00/86/89/602008689.db2.gz FLJASVKVYMXQBH-UHFFFAOYSA-N -1 0 349.795 3.867 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N[C@H]2CC=CCC2)cc(C(F)(F)F)c1 ZINC000833281684 602016113 /nfs/dbraw/zinc/01/61/13/602016113.db2.gz MLMAWYIJGSVXSO-NSHDSACASA-N -1 0 328.290 3.634 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N1CCCC[C@@H]1[C@H](C)NC(=O)[O-] ZINC000740035077 602018075 /nfs/dbraw/zinc/01/80/75/602018075.db2.gz FXZWJVGZTOALOO-SMDDNHRTSA-N -1 0 348.374 3.531 20 0 EHADRM CC[C@H]1CCN(C(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000829126100 602031493 /nfs/dbraw/zinc/03/14/93/602031493.db2.gz UOZPVVQOZCYSSZ-VIFPVBQESA-N -1 0 330.306 3.667 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)ccc1NCc1ccccc1 ZINC000833180786 602037520 /nfs/dbraw/zinc/03/75/20/602037520.db2.gz IGBHCHJRLYRJPJ-ZIAGYGMSSA-N -1 0 344.798 3.611 20 0 EHADRM CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)C1 ZINC000830148906 602044341 /nfs/dbraw/zinc/04/43/41/602044341.db2.gz AZNIDWNMFOGUQF-UONOGXRCSA-N -1 0 336.457 3.831 20 0 EHADRM O=C(/C=C\SCc1ccco1)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000833093505 602052239 /nfs/dbraw/zinc/05/22/39/602052239.db2.gz YVNFYWLLNJQPDB-VURMDHGXSA-N -1 0 349.433 3.914 20 0 EHADRM O=C([O-])NC[C@H]1CCN(C(=O)Nc2cccc(-c3cccs3)c2)C1 ZINC000740642605 602052455 /nfs/dbraw/zinc/05/24/55/602052455.db2.gz HIWRFXHQZFRDPI-GFCCVEGCSA-N -1 0 345.424 3.537 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cn1 ZINC000740711043 602058082 /nfs/dbraw/zinc/05/80/82/602058082.db2.gz QEAVUWRGLBPEOJ-UHFFFAOYSA-N -1 0 340.261 3.834 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2cc3cc(F)ccc3s2)c1 ZINC000321959327 602066517 /nfs/dbraw/zinc/06/65/17/602066517.db2.gz YHQHRUBVRDIPLG-UHFFFAOYSA-N -1 0 329.352 3.920 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)Nc3cccc(CC(=O)[O-])c3)cc2C1 ZINC000237551169 602067282 /nfs/dbraw/zinc/06/72/82/602067282.db2.gz HEHXFJTWSFRMBL-LLVKDONJSA-N -1 0 329.421 3.752 20 0 EHADRM Cc1noc(C)c1C(=O)O[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000833019295 602080597 /nfs/dbraw/zinc/08/05/97/602080597.db2.gz JAYYLFKYLOKMFU-GFCCVEGCSA-N -1 0 344.150 3.581 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Nc2ccccc2Br)c1 ZINC000000026610 602084220 /nfs/dbraw/zinc/08/42/20/602084220.db2.gz WRVWOYAJRXUMLJ-UHFFFAOYSA-N -1 0 349.184 3.720 20 0 EHADRM CCCCO[C@H](C)C(=O)O[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000829413846 602084711 /nfs/dbraw/zinc/08/47/11/602084711.db2.gz YOCMIPHBYKZZTH-RNCFNFMXSA-N -1 0 349.210 3.868 20 0 EHADRM O=C([O-])[C@H](OC(=O)COC1CCCC1)c1cc(Cl)cc(Cl)c1 ZINC000833113635 602085121 /nfs/dbraw/zinc/08/51/21/602085121.db2.gz XSWPNYPCXYDPBW-CQSZACIVSA-N -1 0 347.194 3.622 20 0 EHADRM CSC[C@@H](C)C(=O)O[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000832753374 602086368 /nfs/dbraw/zinc/08/63/68/602086368.db2.gz KOPIGAGFGIEVPU-HQJQHLMTSA-N -1 0 337.224 3.661 20 0 EHADRM O=C([O-])[C@H](OC(=O)C1CCSCC1)c1cc(Cl)cc(Cl)c1 ZINC000833348303 602086984 /nfs/dbraw/zinc/08/69/84/602086984.db2.gz SLWRNYFABKYGEK-GFCCVEGCSA-N -1 0 349.235 3.806 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)Nc1ccc2ncsc2c1 ZINC000403076614 602092620 /nfs/dbraw/zinc/09/26/20/602092620.db2.gz MNJSLIHLTPMIAN-UHFFFAOYSA-N -1 0 335.429 3.843 20 0 EHADRM C/C(=C/COC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)C(=O)[O-] ZINC000825758945 602092961 /nfs/dbraw/zinc/09/29/61/602092961.db2.gz SQSBWSPNCVDWMW-ZVYJERETSA-N -1 0 348.704 3.860 20 0 EHADRM Cc1ccc2c(c1)[C@H](NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)CO2 ZINC000832962670 602093251 /nfs/dbraw/zinc/09/32/51/602093251.db2.gz ZTWOTMIGMQFREI-CQSZACIVSA-N -1 0 346.770 3.602 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000833224699 602095636 /nfs/dbraw/zinc/09/56/36/602095636.db2.gz REGKGWPMMDFOBH-RYTJFDOTSA-N -1 0 336.476 3.632 20 0 EHADRM Cn1cccc1[C@@H]1CCCCN1C(=O)NCCCCCCCC(=O)[O-] ZINC000833059667 602097256 /nfs/dbraw/zinc/09/72/56/602097256.db2.gz UXWHATNLDZZCIE-KRWDZBQOSA-N -1 0 349.475 3.687 20 0 EHADRM COc1ccc(C)c2c1N(C(=O)c1cccc(NC(=O)[O-])c1)CCC2 ZINC000737975937 602098867 /nfs/dbraw/zinc/09/88/67/602098867.db2.gz MJQPSNVCVPJURW-UHFFFAOYSA-N -1 0 340.379 3.687 20 0 EHADRM O=C([O-])Nc1cc(C(=O)OCc2cscn2)cc(C(F)(F)F)c1 ZINC000833284812 602099417 /nfs/dbraw/zinc/09/94/17/602099417.db2.gz ZBRBJXJFTJAZMU-UHFFFAOYSA-N -1 0 346.286 3.609 20 0 EHADRM C[C@@H](COc1ccccc1)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000827523873 602101193 /nfs/dbraw/zinc/10/11/93/602101193.db2.gz AHLJSVHPMZMVHX-NSHDSACASA-N -1 0 333.771 3.692 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cccc(Cl)c1F)c1ccc(F)cc1 ZINC000833351688 602101270 /nfs/dbraw/zinc/10/12/70/602101270.db2.gz TVEVQLXROZLCOE-ZDUSSCGKSA-N -1 0 326.682 3.601 20 0 EHADRM O=C([O-])c1cc(NCc2nnc(-c3cccc(Cl)c3)o2)ccc1F ZINC000833300393 602127728 /nfs/dbraw/zinc/12/77/28/602127728.db2.gz NBTWXESJLHSAET-UHFFFAOYSA-N -1 0 347.733 3.839 20 0 EHADRM CSc1ccc(-c2csc(NC(=O)[C@@H](C)CC(=O)[O-])n2)cc1 ZINC000832774474 602154687 /nfs/dbraw/zinc/15/46/87/602154687.db2.gz LTNBKFFHNQDABC-VIFPVBQESA-N -1 0 336.438 3.581 20 0 EHADRM COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)[C@@H](C)CC(=O)[O-] ZINC000832367465 602169254 /nfs/dbraw/zinc/16/92/54/602169254.db2.gz FPEMDVQOILGIDB-FZMZJTMJSA-N -1 0 341.835 3.663 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N1CCCC[C@H]1c1nc(C(C)(C)C)cs1 ZINC000827257921 602174958 /nfs/dbraw/zinc/17/49/58/602174958.db2.gz VEPFVDWQWHPPGS-NEPJUHHUSA-N -1 0 338.473 3.605 20 0 EHADRM CCOc1ccc(SCC(=O)Nc2ccccc2NC(=O)[O-])cc1 ZINC000739505405 602178250 /nfs/dbraw/zinc/17/82/50/602178250.db2.gz RSXOGDXZAVDYNE-UHFFFAOYSA-N -1 0 346.408 3.906 20 0 EHADRM Cc1ccnn1-c1ccc(C(=O)Nc2ccccc2NC(=O)[O-])cc1 ZINC000740197759 602178971 /nfs/dbraw/zinc/17/89/71/602178971.db2.gz VFEBSCQKUGCIMM-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000191361453 602179198 /nfs/dbraw/zinc/17/91/98/602179198.db2.gz YINAQOWKLGSACF-UHFFFAOYSA-N -1 0 331.271 3.597 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2nc(-c3ccccc3)cs2)c1 ZINC000833343553 602180509 /nfs/dbraw/zinc/18/05/09/602180509.db2.gz HMPMGNJSDBWUJE-UHFFFAOYSA-N -1 0 330.390 3.822 20 0 EHADRM O=C([O-])c1csc(NC(=O)CCCc2c[nH]c3ccccc23)c1 ZINC000191352077 602181497 /nfs/dbraw/zinc/18/14/97/602181497.db2.gz VAXBACGWSCXPNN-UHFFFAOYSA-N -1 0 328.393 3.889 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2cc(Oc3ccccc3)ccn2)c1 ZINC000191351073 602184930 /nfs/dbraw/zinc/18/49/30/602184930.db2.gz ZMMMABDLPAYBOL-UHFFFAOYSA-N -1 0 340.360 3.886 20 0 EHADRM C[C@H](CSc1ccc(F)cc1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000191354951 602187668 /nfs/dbraw/zinc/18/76/68/602187668.db2.gz GIEACWWPWYHOCU-SECBINFHSA-N -1 0 339.413 3.952 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)O[C@@H](c1ccc(Br)cc1)C1CC1 ZINC000827334790 602192946 /nfs/dbraw/zinc/19/29/46/602192946.db2.gz WGERXVQEXNLLPV-YMTOWFKASA-N -1 0 341.201 3.554 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)O[C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000827325319 602195513 /nfs/dbraw/zinc/19/55/13/602195513.db2.gz RYJFJSHSWVTYNU-SFYZADRCSA-N -1 0 336.718 3.656 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)O[C@H](C)c1cc(Cl)ccc1OC(F)F ZINC000827325317 602195533 /nfs/dbraw/zinc/19/55/33/602195533.db2.gz RYJFJSHSWVTYNU-HTQZYQBOSA-N -1 0 336.718 3.656 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)c2csc3c2CCCC3)c1 ZINC000740679520 602203163 /nfs/dbraw/zinc/20/31/63/602203163.db2.gz JUDZUQQVZFDCRD-UHFFFAOYSA-N -1 0 330.409 3.647 20 0 EHADRM C[C@H](OC(=O)c1cccc(NC(=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000736697589 602213778 /nfs/dbraw/zinc/21/37/78/602213778.db2.gz MDDPLSLRWNPXJK-JTQLQIEISA-N -1 0 325.324 3.571 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)NCCCC2CC2)c2ccccc12 ZINC000833258045 602223706 /nfs/dbraw/zinc/22/37/06/602223706.db2.gz WVCURRDBGLKROE-UHFFFAOYSA-N -1 0 342.395 3.615 20 0 EHADRM COc1ccc(NC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1 ZINC000832398852 602234769 /nfs/dbraw/zinc/23/47/69/602234769.db2.gz SKESANSNFQLTRP-INIZCTEOSA-N -1 0 342.395 3.669 20 0 EHADRM Cc1cccc(N(C(=O)c2ccc(CNC(=O)[O-])cc2)C(C)C)c1 ZINC000740165553 602236417 /nfs/dbraw/zinc/23/64/17/602236417.db2.gz ARGDXVRYLIVWJK-UHFFFAOYSA-N -1 0 326.396 3.818 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12)C1CC1 ZINC000767068523 602258064 /nfs/dbraw/zinc/25/80/64/602258064.db2.gz LXHVTKSIFMRDMR-LBPRGKRZSA-N -1 0 327.380 3.678 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12)c1ccco1 ZINC000826020433 602262169 /nfs/dbraw/zinc/26/21/69/602262169.db2.gz DTKUTBRDVRKNFL-GFCCVEGCSA-N -1 0 339.347 3.638 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])cc1 ZINC000740114618 602278056 /nfs/dbraw/zinc/27/80/56/602278056.db2.gz SQMVOHJFOHYOLO-CYBMUJFWSA-N -1 0 339.395 3.918 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F ZINC000830763415 602285171 /nfs/dbraw/zinc/28/51/71/602285171.db2.gz QAWKWXSWMQWIMA-FMIVXFBMSA-N -1 0 349.736 3.609 20 0 EHADRM COc1cc(NC(=O)N2CCC[C@H]2C2CCC2)ccc1NC(=O)[O-] ZINC000739864687 602285270 /nfs/dbraw/zinc/28/52/70/602285270.db2.gz BJFWTGHTDYDTCH-AWEZNQCLSA-N -1 0 333.388 3.582 20 0 EHADRM COc1ccc(NC(=O)N2CCC[C@@H]2C2CCC2)cc1NC(=O)[O-] ZINC000739917426 602285436 /nfs/dbraw/zinc/28/54/36/602285436.db2.gz GAVDIBZTNPFFAN-CQSZACIVSA-N -1 0 333.388 3.582 20 0 EHADRM O=C([O-])c1csc(NC(=O)NC2(c3cccc(Cl)c3)CC2)c1 ZINC000833152122 602291364 /nfs/dbraw/zinc/29/13/64/602291364.db2.gz XUVMHIOGWMMEGX-UHFFFAOYSA-N -1 0 336.800 3.911 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@H](c2ccccc2)c2cccnc2)cc1 ZINC000738662069 602295783 /nfs/dbraw/zinc/29/57/83/602295783.db2.gz RECWCKNDEJKIMF-GOSISDBHSA-N -1 0 347.374 3.691 20 0 EHADRM CC(=O)c1ccc(NC(=S)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000825951309 602300530 /nfs/dbraw/zinc/30/05/30/602300530.db2.gz GPLJLMHDJDHBJS-UHFFFAOYSA-N -1 0 332.356 3.535 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(Cl)c(C)c2)cc1 ZINC000685019120 602302126 /nfs/dbraw/zinc/30/21/26/602302126.db2.gz PVKBORPEWIYAPH-MRXNPFEDSA-N -1 0 347.798 3.603 20 0 EHADRM O=C([O-])NCCCC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 ZINC000739962440 602303268 /nfs/dbraw/zinc/30/32/68/602303268.db2.gz WKVRADBWDFDZDF-UHFFFAOYSA-N -1 0 334.322 3.618 20 0 EHADRM C[C@@H]1CC[C@@H](CC(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)C1 ZINC000828221336 602314344 /nfs/dbraw/zinc/31/43/44/602314344.db2.gz NBAXBNYHSQGFTE-CHWSQXEVSA-N -1 0 339.382 3.594 20 0 EHADRM CCCCc1ccc(NC(=O)N2CCC[C@@H](CN(C)C(=O)[O-])C2)cc1 ZINC000739341441 602327806 /nfs/dbraw/zinc/32/78/06/602327806.db2.gz LOFSCUNQUHYEOT-INIZCTEOSA-N -1 0 347.459 3.883 20 0 EHADRM CC[C@H](CC(=O)N(C)c1ncc(C(=O)[O-])s1)c1ccc(C)cc1 ZINC000828770273 602330271 /nfs/dbraw/zinc/33/02/71/602330271.db2.gz HVTPPPKKCSWRAK-GFCCVEGCSA-N -1 0 332.425 3.696 20 0 EHADRM C/C(=C/C(=O)N(C)c1ncc(C(=O)[O-])s1)c1ccccc1Cl ZINC000825716554 602340343 /nfs/dbraw/zinc/34/03/43/602340343.db2.gz KJRMHZOGYPPWPW-CLFYSBASSA-N -1 0 336.800 3.561 20 0 EHADRM Cc1ccc(CC(=O)OCc2ccc(C(=O)[O-])c(F)c2)c(Cl)c1 ZINC000832929335 602342384 /nfs/dbraw/zinc/34/23/84/602342384.db2.gz SAQAOXUHYNWKOA-UHFFFAOYSA-N -1 0 336.746 3.772 20 0 EHADRM Cc1ccc(CC(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)c(Cl)c1 ZINC000832927764 602350228 /nfs/dbraw/zinc/35/02/28/602350228.db2.gz BCPPUIDMCHEZGN-AWEZNQCLSA-N -1 0 343.810 3.796 20 0 EHADRM C[C@@H](NC(=O)Nc1cc(C(=O)[O-])n(C)c1)c1ccc2ccccc2c1 ZINC000827671932 602354295 /nfs/dbraw/zinc/35/42/95/602354295.db2.gz OBMDSFREBIXOFP-GFCCVEGCSA-N -1 0 337.379 3.759 20 0 EHADRM CCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1OCC ZINC000327814829 602354923 /nfs/dbraw/zinc/35/49/23/602354923.db2.gz XPMKERMHYKAZCA-UHFFFAOYSA-N -1 0 347.342 3.574 20 0 EHADRM CCC[C@@H](NC(=O)[O-])C(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000739315360 602356009 /nfs/dbraw/zinc/35/60/09/602356009.db2.gz RVCSCFUIWZIVEP-IAGOWNOFSA-N -1 0 348.443 3.575 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000776645921 602357698 /nfs/dbraw/zinc/35/76/98/602357698.db2.gz DYIXHXWZGOLANO-RBOXIYTFSA-N -1 0 337.391 3.836 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C[C@H]2CCc3ccccc3C2)cc1F ZINC000767199052 602358282 /nfs/dbraw/zinc/35/82/82/602358282.db2.gz CZSUBEYTVREUGU-LBPRGKRZSA-N -1 0 327.355 3.658 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000767204787 602358574 /nfs/dbraw/zinc/35/85/74/602358574.db2.gz BWWYCNNPRPMXRY-LLVKDONJSA-N -1 0 333.334 3.870 20 0 EHADRM CC(C)c1ccc([C@@H](CNC(=O)[C@@H]2CC=CCC2)NC(=O)[O-])cc1 ZINC000738879182 602360999 /nfs/dbraw/zinc/36/09/99/602360999.db2.gz UOKMDLUHBHJIIT-IAGOWNOFSA-N -1 0 330.428 3.591 20 0 EHADRM CC(C)c1ccc([C@H](CNC(=O)[C@H]2CC=CCC2)NC(=O)[O-])cc1 ZINC000738879183 602361108 /nfs/dbraw/zinc/36/11/08/602361108.db2.gz UOKMDLUHBHJIIT-IRXDYDNUSA-N -1 0 330.428 3.591 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Nc2ccccc2OCC(F)F)cc1 ZINC000833153755 602363604 /nfs/dbraw/zinc/36/36/04/602363604.db2.gz FLXSPJGJXWVENO-UHFFFAOYSA-N -1 0 336.294 3.673 20 0 EHADRM Cn1cc(NC(=O)N2CCC[C@@H](c3ccccc3)CC2)cc1C(=O)[O-] ZINC000833048942 602366840 /nfs/dbraw/zinc/36/68/40/602366840.db2.gz QPXJMLSCUWEXFJ-OAHLLOKOSA-N -1 0 341.411 3.525 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@@H]2CCSc3ccccc32)cc1F ZINC000833153595 602369573 /nfs/dbraw/zinc/36/95/73/602369573.db2.gz NETYULDYGOFUAY-CQSZACIVSA-N -1 0 346.383 3.883 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@@H](c2ccccc2)C2CC2)cc1F ZINC000833155226 602369597 /nfs/dbraw/zinc/36/95/97/602369597.db2.gz WOSZNQONSNBYQB-INIZCTEOSA-N -1 0 328.343 3.797 20 0 EHADRM CN(C(=O)Nc1ccc(C(=O)[O-])c(F)c1)[C@H]1CCc2ccccc2C1 ZINC000830499725 602374310 /nfs/dbraw/zinc/37/43/10/602374310.db2.gz BFJGNHXHAOJYID-HNNXBMFYSA-N -1 0 342.370 3.545 20 0 EHADRM Cn1cc(NC(=O)N[C@H](c2ccc(F)cc2)C2CCC2)cc1C(=O)[O-] ZINC000833049561 602375187 /nfs/dbraw/zinc/37/51/87/602375187.db2.gz VYLFUSYHCSTDSR-INIZCTEOSA-N -1 0 345.374 3.525 20 0 EHADRM Cc1ccc2c(c1)[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)CC2 ZINC000832961874 602377355 /nfs/dbraw/zinc/37/73/55/602377355.db2.gz MZACRFAVADYDSP-MRXNPFEDSA-N -1 0 328.343 3.641 20 0 EHADRM CC(C)(CNC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)C(=O)[O-] ZINC000236701557 602395876 /nfs/dbraw/zinc/39/58/76/602395876.db2.gz MJLPBTPKGLRBCG-XFFZJAGNSA-N -1 0 349.736 3.513 20 0 EHADRM Cc1ccc(C)c([C@@H]2CCCN2C(=O)NCCCCCC(=O)[O-])c1 ZINC000414626143 602396732 /nfs/dbraw/zinc/39/67/32/602396732.db2.gz LEZSQZCZPMFRBL-KRWDZBQOSA-N -1 0 332.444 3.795 20 0 EHADRM C[C@@H](C(=O)N(CC(=O)[O-])C1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000825972177 602398860 /nfs/dbraw/zinc/39/88/60/602398860.db2.gz MAFDRVURLMNYCH-SNVBAGLBSA-N -1 0 344.238 3.953 20 0 EHADRM CCC[C@@H](NC(=O)[O-])c1nc(-c2cc(Br)cs2)no1 ZINC000739323789 602406512 /nfs/dbraw/zinc/40/65/12/602406512.db2.gz ANPVAWBQOYKVNW-SSDOTTSWSA-N -1 0 346.206 3.669 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(-c2cc(F)c(F)c(F)c2)n1 ZINC000738817908 602407719 /nfs/dbraw/zinc/40/77/19/602407719.db2.gz VCKDHTMOVDJEPZ-JTQLQIEISA-N -1 0 329.278 3.509 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(CCc2ccc(Cl)cc2)n1 ZINC000738824597 602409683 /nfs/dbraw/zinc/40/96/83/602409683.db2.gz RFFWLEVTVFZZKX-CYBMUJFWSA-N -1 0 337.807 3.863 20 0 EHADRM COc1cccc([C@@H]2C[C@H]2c2nc([C@H](CC(C)C)NC(=O)[O-])no2)c1 ZINC000739950685 602410629 /nfs/dbraw/zinc/41/06/29/602410629.db2.gz PNVURBNUXUTBSH-ZNMIVQPWSA-N -1 0 345.399 3.704 20 0 EHADRM CC(C)Cc1nc(-c2nc([C@H](CC(C)C)NC(=O)[O-])no2)cs1 ZINC000738834565 602410884 /nfs/dbraw/zinc/41/08/84/602410884.db2.gz IDXLTGVIAQLHPR-JTQLQIEISA-N -1 0 338.433 3.746 20 0 EHADRM CCN(Cc1ccccc1NC(=O)C[C@@H](C)n1cccc1)C(=O)[O-] ZINC000739443245 602449190 /nfs/dbraw/zinc/44/91/90/602449190.db2.gz IKKFXKSIOFRUEO-CQSZACIVSA-N -1 0 329.400 3.578 20 0 EHADRM CCc1ccc(CN(C)C(=O)Nc2cccc(CNC(=O)[O-])c2)cc1 ZINC000739540922 602451567 /nfs/dbraw/zinc/45/15/67/602451567.db2.gz DFWHOPJSPHDODX-UHFFFAOYSA-N -1 0 341.411 3.681 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)Nc1ccc(F)c(F)c1)c1ccccc1 ZINC000740539636 602453977 /nfs/dbraw/zinc/45/39/77/602453977.db2.gz KREVLPJFOLBLHN-OAHLLOKOSA-N -1 0 334.322 3.692 20 0 EHADRM Cc1ccc(NC(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)c(F)c1 ZINC000740139691 602456007 /nfs/dbraw/zinc/45/60/07/602456007.db2.gz XYHHEIUGJQNFGW-OAHLLOKOSA-N -1 0 330.359 3.862 20 0 EHADRM COc1cc(F)ccc1NC(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000739865868 602458173 /nfs/dbraw/zinc/45/81/73/602458173.db2.gz CWBLNIYOHPDDFU-AWEZNQCLSA-N -1 0 346.358 3.562 20 0 EHADRM CCN(Cc1cccc(NC(=O)[C@H]2CCc3ccccc32)c1)C(=O)[O-] ZINC000739440560 602458827 /nfs/dbraw/zinc/45/88/27/602458827.db2.gz DAFKOSAFEXVHRO-SFHVURJKSA-N -1 0 338.407 3.855 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)N1CC[C@H]1c1ccccc1)c1ccccc1 ZINC000740541554 602460172 /nfs/dbraw/zinc/46/01/72/602460172.db2.gz ZTPLUBONFBNZRR-MSOLQXFVSA-N -1 0 338.407 3.749 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)Nc1ccc2ncccc2c1)c1ccccc1 ZINC000740539632 602460216 /nfs/dbraw/zinc/46/02/16/602460216.db2.gz KQVKTFYWXAINQK-SFHVURJKSA-N -1 0 349.390 3.962 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N[C@H]2CCc3ccc(F)cc32)cc1 ZINC000738666208 602470400 /nfs/dbraw/zinc/47/04/00/602470400.db2.gz UIVFFSBAUQCNCQ-HNNXBMFYSA-N -1 0 329.331 3.725 20 0 EHADRM CCCOc1ccccc1NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739372618 602481508 /nfs/dbraw/zinc/48/15/08/602481508.db2.gz PXEPEWMBDGIZTI-UHFFFAOYSA-N -1 0 332.331 3.957 20 0 EHADRM CN(C(=O)c1ccc(F)c(NC(=O)[O-])c1)[C@H]1CCc2ccccc21 ZINC000739593533 602483225 /nfs/dbraw/zinc/48/32/25/602483225.db2.gz OTFCZTCLIQBWBY-INIZCTEOSA-N -1 0 328.343 3.675 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N(Cc2ccccc2)C2CC2)ccc1F ZINC000740693322 602483639 /nfs/dbraw/zinc/48/36/39/602483639.db2.gz UDWMEUCARMAXMT-UHFFFAOYSA-N -1 0 328.343 3.720 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2cccc(C(F)(F)F)n2)ccc1F ZINC000740700102 602487380 /nfs/dbraw/zinc/48/73/80/602487380.db2.gz ZLGGRBMSLABYAV-UHFFFAOYSA-N -1 0 343.236 3.582 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N[C@@H]2CCCOc3ccccc32)ccc1F ZINC000740696292 602487462 /nfs/dbraw/zinc/48/74/62/602487462.db2.gz PVHQJBDMROYOAA-CQSZACIVSA-N -1 0 344.342 3.559 20 0 EHADRM O=C([O-])N1CCc2ccc(NC(=O)c3cc4ccccc4o3)cc2C1 ZINC000740466456 602487614 /nfs/dbraw/zinc/48/76/14/602487614.db2.gz OQAGDBOFYPAWIF-UHFFFAOYSA-N -1 0 336.347 3.721 20 0 EHADRM CC(C)c1ccccc1OCCNC(=O)c1cccc(NC(=O)[O-])c1 ZINC000736523441 602489104 /nfs/dbraw/zinc/48/91/04/602489104.db2.gz PYPPOKIDADGJLD-UHFFFAOYSA-N -1 0 342.395 3.709 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)CCCOCc2ccccc2)cc1 ZINC000740708356 602504185 /nfs/dbraw/zinc/50/41/85/602504185.db2.gz BQUJZCAJPIHMIL-UHFFFAOYSA-N -1 0 328.368 3.712 20 0 EHADRM CCOc1ccccc1C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739507035 602507449 /nfs/dbraw/zinc/50/74/49/602507449.db2.gz RBJUGVFBLUZQMJ-UHFFFAOYSA-N -1 0 340.379 3.768 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)c2ccc3[nH]ccc3c2)c1 ZINC000739916931 602572134 /nfs/dbraw/zinc/57/21/34/602572134.db2.gz AZZDURLIJDGWNT-UHFFFAOYSA-N -1 0 325.324 3.519 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)c3ccc4[nH]ccc4c3)ccc21 ZINC000740464031 602572745 /nfs/dbraw/zinc/57/27/45/602572745.db2.gz CJQVTSLEUXVDIN-UHFFFAOYSA-N -1 0 335.363 3.851 20 0 EHADRM Cc1ccc(F)cc1NC(=O)N1CCC[C@@H]([C@@H]2CCCN2C(=O)[O-])C1 ZINC000740128850 602581056 /nfs/dbraw/zinc/58/10/56/602581056.db2.gz BYEZOYNBDKAEMC-CJNGLKHVSA-N -1 0 349.406 3.520 20 0 EHADRM Cc1cc(C)c(NC(=O)N2CCC[C@H](N(C)C(=O)[O-])C2)c(Cl)c1 ZINC000740067251 602581624 /nfs/dbraw/zinc/58/16/24/602581624.db2.gz VUPRARXRZXCZJD-LBPRGKRZSA-N -1 0 339.823 3.563 20 0 EHADRM Cc1ccc(F)c(NC(=O)N2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)c1 ZINC000740126752 602581825 /nfs/dbraw/zinc/58/18/25/602581825.db2.gz FDTOJVFXFFSYQL-CZUORRHYSA-N -1 0 349.406 3.520 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)N(C)[C@H](C)CNC(=O)[O-] ZINC000739540818 602597144 /nfs/dbraw/zinc/59/71/44/602597144.db2.gz BKMMPVNCOPGGKQ-SNVBAGLBSA-N -1 0 341.839 3.585 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC000738665446 602599418 /nfs/dbraw/zinc/59/94/18/602599418.db2.gz MRYVLNKLDPZGAU-ZDUSSCGKSA-N -1 0 343.358 3.937 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N2CCC(c3nccs3)CC2)cc1 ZINC000738666202 602599428 /nfs/dbraw/zinc/59/94/28/602599428.db2.gz TYSYSRUIZVZHPW-UHFFFAOYSA-N -1 0 346.412 3.645 20 0 EHADRM Cc1cc(-c2ccccc2)ccc1NC(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000740047128 602599952 /nfs/dbraw/zinc/59/99/52/602599952.db2.gz CBBHUUGGIYQASG-INIZCTEOSA-N -1 0 339.395 3.536 20 0 EHADRM COc1ccc(F)cc1[C@H](C)NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739911541 602601119 /nfs/dbraw/zinc/60/11/19/602601119.db2.gz WNLBIUIBERGAJO-JTQLQIEISA-N -1 0 347.346 3.807 20 0 EHADRM Cc1cccc(OC[C@H](C)NC(=O)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000740171973 602604555 /nfs/dbraw/zinc/60/45/55/602604555.db2.gz QOOXROHXIHRHGU-ZDUSSCGKSA-N -1 0 343.383 3.674 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)CC(F)(F)F)c(C(F)(F)F)c1 ZINC000740708824 602643947 /nfs/dbraw/zinc/64/39/47/602643947.db2.gz XBTNXCRJYUUZDH-UHFFFAOYSA-N -1 0 330.184 3.686 20 0 EHADRM COc1cccc(SCC(=O)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000739956533 602644729 /nfs/dbraw/zinc/64/47/29/602644729.db2.gz RVRVRYXGUBERGG-UHFFFAOYSA-N -1 0 332.381 3.516 20 0 EHADRM CCCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000739374519 602645244 /nfs/dbraw/zinc/64/52/44/602645244.db2.gz RMJCFNZKLNIBMU-UHFFFAOYSA-N -1 0 334.397 3.530 20 0 EHADRM Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000740045413 602645573 /nfs/dbraw/zinc/64/55/73/602645573.db2.gz JPERZYGWIUPNRK-UHFFFAOYSA-N -1 0 340.788 3.539 20 0 EHADRM O=C([O-])Nc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000740713244 602645936 /nfs/dbraw/zinc/64/59/36/602645936.db2.gz RHNZSPLNPBNDED-UHFFFAOYSA-N -1 0 342.376 3.731 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2ccccc2NC(=O)[O-])cc1Cl ZINC000740151102 602653447 /nfs/dbraw/zinc/65/34/47/602653447.db2.gz VNKLFPLCSHWBII-UHFFFAOYSA-N -1 0 340.788 3.539 20 0 EHADRM Cc1cc(F)cc2c1N(C(=O)Cc1ccc(NC(=O)[O-])cc1)CCC2 ZINC000740082326 602685797 /nfs/dbraw/zinc/68/57/97/602685797.db2.gz NBUAKIQUFLJHFQ-UHFFFAOYSA-N -1 0 342.370 3.746 20 0 EHADRM O=C([O-])N1CC[C@H](CCNC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000740427990 602722176 /nfs/dbraw/zinc/72/21/76/602722176.db2.gz NUJUNPOMZOPOQO-VIFPVBQESA-N -1 0 346.214 3.505 20 0 EHADRM CC1(C)C[C@H]1CNC(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000739063666 602724657 /nfs/dbraw/zinc/72/46/57/602724657.db2.gz CISLUAIKJIITSL-QMMMGPOBSA-N -1 0 345.321 3.963 20 0 EHADRM Cc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCC(NC(=O)[O-])CC1 ZINC000740186168 602727633 /nfs/dbraw/zinc/72/76/33/602727633.db2.gz YIEXIEULDZSWRO-QGZVFWFLSA-N -1 0 347.459 3.524 20 0 EHADRM O=C([O-])NCc1cccc(OC(=O)CCSc2ccc(F)cc2)c1 ZINC000740679628 602730097 /nfs/dbraw/zinc/73/00/97/602730097.db2.gz LOIUTYAFKIZZLX-UHFFFAOYSA-N -1 0 349.383 3.681 20 0 EHADRM CC(C)(CCCc1ccccc1)C(=O)NCC[C@@H]1CCN(C(=O)[O-])C1 ZINC000738746340 602734329 /nfs/dbraw/zinc/73/43/29/602734329.db2.gz GYQLDKMACBELCR-QGZVFWFLSA-N -1 0 346.471 3.542 20 0 EHADRM C[C@@H](NC(=O)[O-])C1CCN(C(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000739078311 602753810 /nfs/dbraw/zinc/75/38/10/602753810.db2.gz GXZAAQBDUNYDCV-RBSFLKMASA-N -1 0 338.492 3.734 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC)C(=O)c1ccc(CNC(=O)[O-])o1 ZINC000826638903 602762159 /nfs/dbraw/zinc/76/21/59/602762159.db2.gz JAGJKLNIGBPUGW-HNNXBMFYSA-N -1 0 330.384 3.661 20 0 EHADRM C[C@H](CC(=O)N(Cc1ccccc1)[C@@H](C)c1ccccc1)NC(=O)[O-] ZINC000824565778 602762200 /nfs/dbraw/zinc/76/22/00/602762200.db2.gz RKVOVMZFQKSZEN-CVEARBPZSA-N -1 0 340.423 3.823 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)CCC(C)(C)NC(=O)[O-])c2)cs1 ZINC000740207874 602785570 /nfs/dbraw/zinc/78/55/70/602785570.db2.gz LAKRLQVNCXAKFK-UHFFFAOYSA-N -1 0 347.440 3.883 20 0 EHADRM CC(C)(CCC(=O)Nc1cccc(OC2CCCC2)c1)NC(=O)[O-] ZINC000738744802 602789203 /nfs/dbraw/zinc/78/92/03/602789203.db2.gz QQAPUYJIXSJKDN-UHFFFAOYSA-N -1 0 334.416 3.773 20 0 EHADRM COc1cc(NC(=O)[C@H](C)Cc2ccccc2F)ccc1NC(=O)[O-] ZINC000739868355 602792265 /nfs/dbraw/zinc/79/22/65/602792265.db2.gz SBODBSXBYIZLEV-LLVKDONJSA-N -1 0 346.358 3.742 20 0 EHADRM CC(C)(CCC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1)NC(=O)[O-] ZINC000738743422 602802349 /nfs/dbraw/zinc/80/23/49/602802349.db2.gz NJJNONNVXXBZRD-MRXNPFEDSA-N -1 0 336.407 3.610 20 0 EHADRM C[C@@H]1c2c(F)cccc2CCN1C(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000739209100 602816862 /nfs/dbraw/zinc/81/68/62/602816862.db2.gz SUJYURORZGJGHC-GFCCVEGCSA-N -1 0 342.370 3.604 20 0 EHADRM C[C@H]1c2ccc(F)cc2CCN1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736840127 602817003 /nfs/dbraw/zinc/81/70/03/602817003.db2.gz KCLKYZLNAQRFDL-NSHDSACASA-N -1 0 328.343 3.675 20 0 EHADRM CCOc1c(F)cccc1C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000827409867 602825464 /nfs/dbraw/zinc/82/54/64/602825464.db2.gz SSZGCFJQWGCSIX-UHFFFAOYSA-N -1 0 336.294 3.706 20 0 EHADRM C[C@@H](CC(=O)c1ccccc1F)C(=O)Nc1ccccc1NC(=O)[O-] ZINC000824744234 602834846 /nfs/dbraw/zinc/83/48/46/602834846.db2.gz VITKUZVFPWERMK-NSHDSACASA-N -1 0 344.342 3.763 20 0 EHADRM Cc1ccc2c(c1C)OC[C@@H]2NC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000830211601 602842029 /nfs/dbraw/zinc/84/20/29/602842029.db2.gz VKPNIBZRILSPOR-INIZCTEOSA-N -1 0 340.379 3.565 20 0 EHADRM CCC[C@@H](CC1CCCC1)C(=O)N1CCC[C@H](CN(C)C(=O)[O-])C1 ZINC000739306101 602846424 /nfs/dbraw/zinc/84/64/24/602846424.db2.gz PECIQZUFDHRUCA-SJORKVTESA-N -1 0 338.492 3.831 20 0 EHADRM CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)CCCNC(=O)[O-] ZINC000736389438 602851540 /nfs/dbraw/zinc/85/15/40/602851540.db2.gz CNEONYCTRYDNKP-HNNXBMFYSA-N -1 0 326.824 3.543 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N(C1CC1)C1CCN(C(=O)[O-])CC1 ZINC000740181684 602877807 /nfs/dbraw/zinc/87/78/07/602877807.db2.gz FEQQOTHXYZLTTH-OAHLLOKOSA-N -1 0 344.455 3.622 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)Cc2ccc(NC(=O)[O-])cc2)o1 ZINC000740117058 602882081 /nfs/dbraw/zinc/88/20/81/602882081.db2.gz GDXLFWMOKPHSJD-OAHLLOKOSA-N -1 0 328.368 3.584 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N1CCCC[C@H]1[C@@H](C)NC(=O)[O-] ZINC000740184106 602900828 /nfs/dbraw/zinc/90/08/28/602900828.db2.gz NFHVOMDAFDJDAM-INMHGKMJSA-N -1 0 332.444 3.526 20 0 EHADRM Cc1ccc([C@H](C)CNC(=O)Nc2cccc(CNC(=O)[O-])c2)cc1 ZINC000740109148 602902024 /nfs/dbraw/zinc/90/20/24/602902024.db2.gz FEFBIHUCXZNTQX-CQSZACIVSA-N -1 0 341.411 3.688 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)OCc2cccnc2Cl)c(Cl)c1 ZINC000740701482 602904713 /nfs/dbraw/zinc/90/47/13/602904713.db2.gz ARADIIQWZFBRCO-UHFFFAOYSA-N -1 0 341.150 3.835 20 0 EHADRM CCCCc1ccc(NC(=O)N2CC[C@@H](NC(=O)[O-])[C@H](C)C2)cc1 ZINC000739340227 602908985 /nfs/dbraw/zinc/90/89/85/602908985.db2.gz BKOSUNJFFRPLGG-CZUORRHYSA-N -1 0 333.432 3.539 20 0 EHADRM CCc1cccc(NC(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])c1 ZINC000739548934 602950598 /nfs/dbraw/zinc/95/05/98/602950598.db2.gz WOYFXROZQDRXOQ-UHFFFAOYSA-N -1 0 325.368 3.934 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N(CCc2ccc(F)cc2)C2CC2)c1 ZINC000740027184 602951435 /nfs/dbraw/zinc/95/14/35/602951435.db2.gz OATSMCUVHUATKN-UHFFFAOYSA-N -1 0 342.370 3.763 20 0 EHADRM CC[C@@H](C)[C@H](C(=O)N1CCC(CN(C)C(=O)[O-])CC1)c1ccccc1 ZINC000739228617 602956147 /nfs/dbraw/zinc/95/61/47/602956147.db2.gz WBKJPXIPPVPQSZ-QAPCUYQASA-N -1 0 346.471 3.665 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)Nc1ccsc1 ZINC000829191274 602956195 /nfs/dbraw/zinc/95/61/95/602956195.db2.gz CRNOJEHESTUYIG-UHFFFAOYSA-N -1 0 326.761 3.752 20 0 EHADRM CC(C)(Oc1ccc(F)cc1)C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000737607130 602964886 /nfs/dbraw/zinc/96/48/86/602964886.db2.gz SCGXXKPCNZYYME-UHFFFAOYSA-N -1 0 333.315 3.679 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)CCCOc2ccccc2F)cc1 ZINC000738666348 602969326 /nfs/dbraw/zinc/96/93/26/602969326.db2.gz FICRGANHOQNOQD-UHFFFAOYSA-N -1 0 333.315 3.680 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)CC2CCOCC2)c(C(F)(F)F)c1 ZINC000740708844 602979953 /nfs/dbraw/zinc/97/99/53/602979953.db2.gz XQEBFFZZTJPCLQ-UHFFFAOYSA-N -1 0 346.305 3.551 20 0 EHADRM COc1cccc2cc(-c3nc([C@H](CC(C)C)NC(=O)[O-])no3)oc21 ZINC000739958255 603001396 /nfs/dbraw/zinc/00/13/96/603001396.db2.gz GMIIEIFSXSKGME-NSHDSACASA-N -1 0 345.355 3.846 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(-c2ccc(C(F)(F)F)cn2)n1 ZINC000738817695 603002219 /nfs/dbraw/zinc/00/22/19/603002219.db2.gz SQDNBYIFTCNWIL-JTQLQIEISA-N -1 0 344.293 3.505 20 0 EHADRM CC[C@@H](CC(=O)NC[C@@H](NC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000739247887 603021027 /nfs/dbraw/zinc/02/10/27/603021027.db2.gz ACIOMIHIKGHMGB-MAUKXSAKSA-N -1 0 340.423 3.695 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc([C@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000738909772 603022375 /nfs/dbraw/zinc/02/23/75/603022375.db2.gz QIXNCTWMFIDXHR-UTLUCORTSA-N -1 0 335.326 3.619 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)NCc2ccc(Cl)cc2)c1 ZINC000740705272 603035424 /nfs/dbraw/zinc/03/54/24/603035424.db2.gz QNYFOWHLDRHWGB-UHFFFAOYSA-N -1 0 337.738 3.891 20 0 EHADRM CCSc1ccc(C(=O)Oc2ccc(N(C)C(=O)[O-])cc2)cn1 ZINC000827508063 603040350 /nfs/dbraw/zinc/04/03/50/603040350.db2.gz IUKZDANQWNISNB-UHFFFAOYSA-N -1 0 332.381 3.527 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)N2CC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000740701636 603043085 /nfs/dbraw/zinc/04/30/85/603043085.db2.gz HKSNLXCKEPHYFA-INIZCTEOSA-N -1 0 344.798 3.946 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)C1CCC(NC(=O)[O-])CC1 ZINC000739258172 603044583 /nfs/dbraw/zinc/04/45/83/603044583.db2.gz OGVCYJQFPJEAQA-ABHNRTSZSA-N -1 0 346.471 3.601 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)CCn2ccc3ccccc32)cc1 ZINC000827908761 603046300 /nfs/dbraw/zinc/04/63/00/603046300.db2.gz RJETVTCGBZDIMK-UHFFFAOYSA-N -1 0 338.363 3.751 20 0 EHADRM O=C([O-])NCc1ccc(-c2nc(-c3nccc4ccccc43)no2)cc1 ZINC000740670239 603047105 /nfs/dbraw/zinc/04/71/05/603047105.db2.gz BYFMUAYVUIKTTI-UHFFFAOYSA-N -1 0 346.346 3.719 20 0 EHADRM CN(Cc1ccccc1NC(=O)[C@H]1CSc2ccccc21)C(=O)[O-] ZINC000739714772 603053797 /nfs/dbraw/zinc/05/37/97/603053797.db2.gz QNNMZDXHRRQYEQ-AWEZNQCLSA-N -1 0 342.420 3.624 20 0 EHADRM Cc1sc2nc(C)nc(NC3CCC(NC(=O)[O-])CC3)c2c1C ZINC000740223552 603083323 /nfs/dbraw/zinc/08/33/23/603083323.db2.gz SICVCRYVLWXTSU-UHFFFAOYSA-N -1 0 334.445 3.607 20 0 EHADRM Cc1cccc([C@H]2CCCCN2C(=O)CC(C)(C)NC(=O)[O-])c1C ZINC000830494243 603098142 /nfs/dbraw/zinc/09/81/42/603098142.db2.gz YZWKSDZQLNYXOY-MRXNPFEDSA-N -1 0 332.444 3.793 20 0 EHADRM Cc1ccc(C)c(NC(=O)CNc2ccc([C@H](C)NC(=O)[O-])cc2)c1 ZINC000740116280 603103848 /nfs/dbraw/zinc/10/38/48/603103848.db2.gz RZSXGSFEFVOWFK-AWEZNQCLSA-N -1 0 341.411 3.683 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)CNc2cccc(Cl)c2)c1 ZINC000740707053 603110654 /nfs/dbraw/zinc/11/06/54/603110654.db2.gz MHKJOPVNTULFGV-UHFFFAOYSA-N -1 0 337.738 3.620 20 0 EHADRM O=C([O-])Nc1cc(C(=O)NC2(C(F)(F)F)CCCCC2)ccc1F ZINC000740697877 603116023 /nfs/dbraw/zinc/11/60/23/603116023.db2.gz ZTKKNDMOGNZPAB-UHFFFAOYSA-N -1 0 348.296 3.911 20 0 EHADRM CC[C@@H](NC(=O)CC1CCN(C(=O)[O-])CC1)c1ccc(Cl)s1 ZINC000739261919 603131570 /nfs/dbraw/zinc/13/15/70/603131570.db2.gz GKISDQCGXRHTHO-LLVKDONJSA-N -1 0 344.864 3.749 20 0 EHADRM CC[C@@H](NC(=O)C1CCC(NC(=O)[O-])CC1)c1ccc(Cl)s1 ZINC000739260238 603131747 /nfs/dbraw/zinc/13/17/47/603131747.db2.gz OQGOFSQKGABOGE-VQXHTEKXSA-N -1 0 344.864 3.795 20 0 EHADRM O=C([O-])Nc1ccc(NC(=S)N[C@@H]2CCOc3ccccc32)cc1 ZINC000738667923 603147659 /nfs/dbraw/zinc/14/76/59/603147659.db2.gz VICDZMYDGWAGKY-CQSZACIVSA-N -1 0 343.408 3.587 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000740568459 603149881 /nfs/dbraw/zinc/14/98/81/603149881.db2.gz FSRNEQXCACFWAM-WCBMZHEXSA-N -1 0 331.199 3.758 20 0 EHADRM Cc1cccc(-c2noc(COc3ccc(NC(=O)[O-])cc3)n2)c1 ZINC000738305652 603156445 /nfs/dbraw/zinc/15/64/45/603156445.db2.gz DKSBLBWFFDYZIV-UHFFFAOYSA-N -1 0 325.324 3.714 20 0 EHADRM CC(C)c1ccccc1NC(=O)COc1ccc(NC(=O)[O-])cc1 ZINC000737646647 603157344 /nfs/dbraw/zinc/15/73/44/603157344.db2.gz HZVZGIABCRELLK-UHFFFAOYSA-N -1 0 328.368 3.917 20 0 EHADRM CN(Cc1cccc(NC(=O)C(C)(C)c2cccc(F)c2)c1)C(=O)[O-] ZINC000739707437 603167568 /nfs/dbraw/zinc/16/75/68/603167568.db2.gz RGOSMBMLYDOREH-UHFFFAOYSA-N -1 0 344.386 3.852 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)CO[C@H]2CCC[C@@H](C)C2)cc1 ZINC000825887377 603173225 /nfs/dbraw/zinc/17/32/25/603173225.db2.gz KZXVKYPOWFIBRL-WWGRRREGSA-N -1 0 334.416 3.549 20 0 EHADRM O=C([O-])N1CCc2c(cccc2NC(=O)Cc2ccccc2Cl)C1 ZINC000740384335 603175406 /nfs/dbraw/zinc/17/54/06/603175406.db2.gz KLFHQOTZNVWMEQ-UHFFFAOYSA-N -1 0 344.798 3.557 20 0 EHADRM COc1ccc(Cl)cc1C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000829404183 603175753 /nfs/dbraw/zinc/17/57/53/603175753.db2.gz JNVGNKLDBXHXQJ-JTQLQIEISA-N -1 0 348.786 3.930 20 0 EHADRM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)cc1 ZINC000830401536 603175768 /nfs/dbraw/zinc/17/57/68/603175768.db2.gz YJJLGKWCUYYHEK-KBPBESRZSA-N -1 0 342.395 3.730 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)C(C)(C)c2cccs2)cc1 ZINC000825416076 603176402 /nfs/dbraw/zinc/17/64/02/603176402.db2.gz JLKOMKVVEGWWQR-NSHDSACASA-N -1 0 332.425 3.993 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)C(F)(F)c2ccccc2)cc1 ZINC000825417151 603176547 /nfs/dbraw/zinc/17/65/47/603176547.db2.gz OPNWVHNJXQLXEL-NSHDSACASA-N -1 0 334.322 3.746 20 0 EHADRM COc1cc(C)sc1C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000829101823 603177916 /nfs/dbraw/zinc/17/79/16/603177916.db2.gz MDPPVMXWHBODMD-SNVBAGLBSA-N -1 0 334.397 3.646 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1)c1cccs1 ZINC000738806119 603178944 /nfs/dbraw/zinc/17/89/44/603178944.db2.gz CIOBGLQEDBZMJZ-IHRRRGAJSA-N -1 0 338.473 3.778 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2Cl)CC[C@@H]1NC(=O)[O-] ZINC000739143296 603183814 /nfs/dbraw/zinc/18/38/14/603183814.db2.gz BTARGMSYWXJWCH-KCJUWKMLSA-N -1 0 346.214 3.503 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)C(C)(C)c2ccccc2)cc1 ZINC000825418708 603195081 /nfs/dbraw/zinc/19/50/81/603195081.db2.gz WBZWLAWAPZSRCE-CYBMUJFWSA-N -1 0 326.396 3.932 20 0 EHADRM O=C([O-])N1CC[C@H](C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000740457519 603208391 /nfs/dbraw/zinc/20/83/91/603208391.db2.gz NILUYBYDZSUBCD-LURJTMIESA-N -1 0 337.590 3.585 20 0 EHADRM CCS[C@H]1CC[C@@H](N(C)C(=O)c2ccc(C)c(NC(=O)[O-])c2)C1 ZINC000827494925 603209526 /nfs/dbraw/zinc/20/95/26/603209526.db2.gz FNPOHPCFGZOXEM-KGLIPLIRSA-N -1 0 336.457 3.831 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N(C)Cc1ccccc1 ZINC000829167683 603210542 /nfs/dbraw/zinc/21/05/42/603210542.db2.gz OBELWFAKDIGZCT-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N[C@H](C)c1ccccc1 ZINC000829174162 603210609 /nfs/dbraw/zinc/21/06/09/603210609.db2.gz QHJJVKLPABFARH-SNVBAGLBSA-N -1 0 348.786 3.930 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@H](C(=O)N(Cc2ccoc2)C2CCCCC2)C1 ZINC000740566038 603218750 /nfs/dbraw/zinc/21/87/50/603218750.db2.gz STPFVCSNTCTGHN-HOTGVXAUSA-N -1 0 348.443 3.767 20 0 EHADRM C[C@@H](c1ccccn1)N(C)C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739060982 603233101 /nfs/dbraw/zinc/23/31/01/603233101.db2.gz RBCNOCQLSMGGEK-JTQLQIEISA-N -1 0 333.775 3.658 20 0 EHADRM C[C@@H](C(=O)Nc1cccc2cccnc21)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823724954 603234042 /nfs/dbraw/zinc/23/40/42/603234042.db2.gz VCEIUFIBMNLPSN-DYVFJYSZSA-N -1 0 349.390 3.818 20 0 EHADRM Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000830554687 603235988 /nfs/dbraw/zinc/23/59/88/603235988.db2.gz ONGIHOXLTRZUOG-MPGHIAIKSA-N -1 0 340.423 3.817 20 0 EHADRM CSc1cccc(NC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000829772364 603241001 /nfs/dbraw/zinc/24/10/01/603241001.db2.gz VBVCKVWQYOSLOY-BLLLJJGKSA-N -1 0 344.436 3.992 20 0 EHADRM Cc1csc([C@@H](C)NC(=O)c2ccc(NC(=O)[O-])cc2Cl)n1 ZINC000740202936 603241590 /nfs/dbraw/zinc/24/15/90/603241590.db2.gz BHPINDKXLVRLMA-MRVPVSSYSA-N -1 0 339.804 3.686 20 0 EHADRM C[C@H](CNC(=O)c1ccc(NC(=O)[O-])cc1Cl)Oc1ccccc1 ZINC000738939842 603250014 /nfs/dbraw/zinc/25/00/14/603250014.db2.gz OFKCBVBBZHQIGQ-LLVKDONJSA-N -1 0 348.786 3.627 20 0 EHADRM CS[C@@H]1CCC[C@@H](NC(=O)c2ccc(NC(=O)[O-])cc2Cl)C1 ZINC000740003396 603252213 /nfs/dbraw/zinc/25/22/13/603252213.db2.gz WOKSJQBIRYSVPE-MWLCHTKSSA-N -1 0 342.848 3.834 20 0 EHADRM Cc1ccc(C(=O)Nc2nc3ccccc3s2)cc1NC(=O)[O-] ZINC000830234904 603253665 /nfs/dbraw/zinc/25/36/65/603253665.db2.gz ZCHUYAZRKWJYBC-UHFFFAOYSA-N -1 0 327.365 3.947 20 0 EHADRM COc1cc(C)ccc1OC(=O)[C@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000829101981 603253791 /nfs/dbraw/zinc/25/37/91/603253791.db2.gz PUDAZLNOFTWJPI-CXAGYDPISA-N -1 0 343.379 3.554 20 0 EHADRM CCCc1ccccc1NC(=O)NC[C@H](NC(=O)[O-])c1ccccc1 ZINC000826954014 603266830 /nfs/dbraw/zinc/26/68/30/603266830.db2.gz NOUACUDCCKHIGG-KRWDZBQOSA-N -1 0 341.411 3.770 20 0 EHADRM COCc1ccccc1NC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000829044479 603274002 /nfs/dbraw/zinc/27/40/02/603274002.db2.gz JLWUIAGFCHMDOY-GFCCVEGCSA-N -1 0 343.383 3.806 20 0 EHADRM COCc1ccccc1NC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000829044480 603274122 /nfs/dbraw/zinc/27/41/22/603274122.db2.gz JLWUIAGFCHMDOY-LBPRGKRZSA-N -1 0 343.383 3.806 20 0 EHADRM CCN(Cc1ccccc1)C(=O)[C@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000827171090 603275493 /nfs/dbraw/zinc/27/54/93/603275493.db2.gz LYBGLIUXKAYABB-QAPCUYQASA-N -1 0 340.423 3.680 20 0 EHADRM COc1cc(NC(=O)N2C[C@H](C)CCC[C@H]2C)ccc1NC(=O)[O-] ZINC000829158360 603281309 /nfs/dbraw/zinc/28/13/09/603281309.db2.gz ANWAJARNNQTWFE-VXGBXAGGSA-N -1 0 335.404 3.828 20 0 EHADRM Cc1ccc(C(=O)Nc2ccn(-c3ccccc3)n2)cc1NC(=O)[O-] ZINC000830233769 603284624 /nfs/dbraw/zinc/28/46/24/603284624.db2.gz FVLQMPBINLEOEA-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM CC(C)C[C@@H](C(=O)N1CCC[C@H](CN(C)C(=O)[O-])C1)c1ccccc1 ZINC000738805343 603287540 /nfs/dbraw/zinc/28/75/40/603287540.db2.gz MGSRUNUZHBXISJ-SJLPKXTDSA-N -1 0 346.471 3.665 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)o1 ZINC000832679225 603296783 /nfs/dbraw/zinc/29/67/83/603296783.db2.gz WPHPGJPFVSZDKO-CQSZACIVSA-N -1 0 348.786 3.678 20 0 EHADRM Cc1cccc(CN(C)C(=O)[C@H](C)[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000830497728 603303513 /nfs/dbraw/zinc/30/35/13/603303513.db2.gz KLWRWEGOZFSKIC-CRAIPNDOSA-N -1 0 340.423 3.598 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)c(Cl)c1 ZINC000740698330 603315586 /nfs/dbraw/zinc/31/55/86/603315586.db2.gz FPQHXRBSWNDKAY-AWEZNQCLSA-N -1 0 348.790 3.520 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C2CC2)cc1 ZINC000738664615 603318861 /nfs/dbraw/zinc/31/88/61/603318861.db2.gz IGKPJOJVDCDOAA-KRWDZBQOSA-N -1 0 339.395 3.919 20 0 EHADRM CC[C@H](NC(=O)Nc1cc(NC(=O)[O-])ccc1F)c1ccncc1 ZINC000826613386 603326103 /nfs/dbraw/zinc/32/61/03/603326103.db2.gz IVFXHRVJYDPIPG-ZDUSSCGKSA-N -1 0 332.335 3.583 20 0 EHADRM CC[C@H](NC(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccccc1 ZINC000739262421 603328180 /nfs/dbraw/zinc/32/81/80/603328180.db2.gz AYJFBLACIAPPPN-INIZCTEOSA-N -1 0 327.384 3.727 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)c1ccc(CNC(=O)[O-])o1)c1ccccc1 ZINC000823766329 603331112 /nfs/dbraw/zinc/33/11/12/603331112.db2.gz NBNCQPOCQFBBKT-HNNXBMFYSA-N -1 0 344.411 3.955 20 0 EHADRM CCN(Cc1ccccc1NC(=O)NCCCC(F)(F)F)C(=O)[O-] ZINC000827187010 603334816 /nfs/dbraw/zinc/33/48/16/603334816.db2.gz MKUMVRMQCXLRPA-UHFFFAOYSA-N -1 0 347.337 3.651 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2CN(C)C(=O)[O-])cc1 ZINC000740113357 603335060 /nfs/dbraw/zinc/33/50/60/603335060.db2.gz MWIYYKBPLYVWEJ-CQSZACIVSA-N -1 0 341.411 3.988 20 0 EHADRM C[C@H]1CN(C(=O)C(C)(C)CCCc2ccccc2)CC[C@@H]1NC(=O)[O-] ZINC000739124153 603335993 /nfs/dbraw/zinc/33/59/93/603335993.db2.gz RNZZYHYZCVBEJX-RDJZCZTQSA-N -1 0 346.471 3.540 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N(C)Cc1cccs1)C(=O)[O-] ZINC000739449276 603351735 /nfs/dbraw/zinc/35/17/35/603351735.db2.gz VTTMWQADMXAXAN-UHFFFAOYSA-N -1 0 347.440 3.912 20 0 EHADRM CCN(Cc1ccccc1NC(=O)[C@@H](C)c1ccc(C)o1)C(=O)[O-] ZINC000827182428 603352405 /nfs/dbraw/zinc/35/24/05/603352405.db2.gz LQUZDTXRVQEJRO-ZDUSSCGKSA-N -1 0 330.384 3.830 20 0 EHADRM CC(C)C[C@@H]1CCCN1C(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000738819619 603355661 /nfs/dbraw/zinc/35/56/61/603355661.db2.gz HAVRQUNFABZPFF-INIZCTEOSA-N -1 0 333.432 3.839 20 0 EHADRM Cc1ccc(C(=O)N2CCCc3cc(F)ccc32)cc1NC(=O)[O-] ZINC000830192197 603356726 /nfs/dbraw/zinc/35/67/26/603356726.db2.gz IWUJOLKHIIZCMT-UHFFFAOYSA-N -1 0 328.343 3.817 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N2CCc3ccccc3C2)cc1 ZINC000825427885 603363903 /nfs/dbraw/zinc/36/39/03/603363903.db2.gz ZRIKLPNRANNJCN-ZDUSSCGKSA-N -1 0 339.395 3.605 20 0 EHADRM O=C([O-])NC1(C(=O)Nc2cccc(N3CCCCCC3)c2)CCCC1 ZINC000740543504 603388024 /nfs/dbraw/zinc/38/80/24/603388024.db2.gz UYLMUZKFJTXCKD-UHFFFAOYSA-N -1 0 345.443 3.586 20 0 EHADRM O=C([O-])N[C@H]1CC[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000832317570 603409999 /nfs/dbraw/zinc/40/99/99/603409999.db2.gz AIKSUCDSHLVLLJ-KOLCDFICSA-N -1 0 341.289 3.659 20 0 EHADRM Cc1cccc(NC(=O)C[C@@H](Cc2ccccc2)NC(=O)[O-])c1C ZINC000830517111 603426925 /nfs/dbraw/zinc/42/69/25/603426925.db2.gz SAKMAQDSFNTFQB-MRXNPFEDSA-N -1 0 326.396 3.511 20 0 EHADRM C[C@H](C(=O)N1CCCN(C(=O)[O-])c2ccccc21)c1cccc(F)c1 ZINC000738616751 603431512 /nfs/dbraw/zinc/43/15/12/603431512.db2.gz PYOVQBIXLAQTGM-ZDUSSCGKSA-N -1 0 342.370 3.851 20 0 EHADRM C[C@@H]1CCN(C)c2ccccc2N1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736795840 603432513 /nfs/dbraw/zinc/43/25/13/603432513.db2.gz APVGBVPJOPSTAW-CYBMUJFWSA-N -1 0 339.395 3.652 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCSc3ncccc32)c(Cl)c1 ZINC000740699662 603433139 /nfs/dbraw/zinc/43/31/39/603433139.db2.gz WDSBLGMWHQFEGS-UHFFFAOYSA-N -1 0 349.799 3.577 20 0 EHADRM CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1nc(-c2cccs2)cs1 ZINC000826720161 603436089 /nfs/dbraw/zinc/43/60/89/603436089.db2.gz FSQMZXGAZCFVPM-CQSZACIVSA-N -1 0 339.442 3.637 20 0 EHADRM C[C@@H](OC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)c1ccc(F)cc1Cl ZINC000829801935 603436125 /nfs/dbraw/zinc/43/61/25/603436125.db2.gz VOVLXQXDGVZICY-KKZNHRDASA-N -1 0 329.755 3.520 20 0 EHADRM CCc1noc(CC)c1Cc1nc(-c2cccc(NC(=O)[O-])c2)no1 ZINC000827670153 603463485 /nfs/dbraw/zinc/46/34/85/603463485.db2.gz LWZFMYVEAUSPLO-UHFFFAOYSA-N -1 0 342.355 3.530 20 0 EHADRM COc1ccc(NC(=O)C/C=C/c2ccc(F)cc2)cc1NC(=O)[O-] ZINC000829453821 603477339 /nfs/dbraw/zinc/47/73/39/603477339.db2.gz JTVZGGKMWXOKEX-NSCUHMNNSA-N -1 0 344.342 3.966 20 0 EHADRM Cc1cc(C)cc(CSCc2nc(C(C)(C)NC(=O)[O-])no2)c1 ZINC000830002934 603493441 /nfs/dbraw/zinc/49/34/41/603493441.db2.gz CJVAPMIAQPPZLJ-UHFFFAOYSA-N -1 0 335.429 3.623 20 0 EHADRM CN(CC(C)(C)CNC(=O)[O-])C(=O)Nc1ccccc1C(C)(C)C ZINC000828146743 603548898 /nfs/dbraw/zinc/54/88/98/603548898.db2.gz STXOIQVQEDWVJK-UHFFFAOYSA-N -1 0 335.448 3.742 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)Nc2cccc(-c3cccs3)c2)C1 ZINC000832285666 603549230 /nfs/dbraw/zinc/54/92/30/603549230.db2.gz GFHZVMUBASGRJZ-GXTWGEPZSA-N -1 0 330.409 3.790 20 0 EHADRM CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000826661121 603593938 /nfs/dbraw/zinc/59/39/38/603593938.db2.gz PKAJGSUSHMKZOU-IUODEOHRSA-N -1 0 331.416 3.770 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)CC3CN(C(=O)[O-])C3)cc2)cc1 ZINC000830411475 603633385 /nfs/dbraw/zinc/63/33/85/603633385.db2.gz WSVYGVASIAAHDS-UHFFFAOYSA-N -1 0 340.379 3.726 20 0 EHADRM C[C@@H](CCOc1ccccc1)C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000824809743 603635577 /nfs/dbraw/zinc/63/55/77/603635577.db2.gz JKLVOUBIJKWFMD-ZDUSSCGKSA-N -1 0 329.352 3.787 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1ccc(F)c(NC(=O)[O-])c1)C(F)(F)F ZINC000823759414 603637792 /nfs/dbraw/zinc/63/77/92/603637792.db2.gz HSXFZGFSIWNJLP-LLVKDONJSA-N -1 0 336.285 3.622 20 0 EHADRM Cc1ncc(C=Cc2nc(-c3cccc(NC(=O)[O-])c3)no2)s1 ZINC000830809214 603642771 /nfs/dbraw/zinc/64/27/71/603642771.db2.gz MTSAKEIZRNKZQH-AATRIKPKSA-N -1 0 328.353 3.762 20 0 EHADRM C[C@H](Oc1ccccc1)c1nc(-c2cccc(NC(=O)[O-])c2)no1 ZINC000825616433 603644215 /nfs/dbraw/zinc/64/42/15/603644215.db2.gz CWXRMJLEJLHIJZ-NSHDSACASA-N -1 0 325.324 3.967 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)N(C)C2CCC(NC(=O)[O-])CC2)c1C ZINC000830472057 603659864 /nfs/dbraw/zinc/65/98/64/603659864.db2.gz MQVSGYPRPQWEPU-FHERZECASA-N -1 0 347.459 3.585 20 0 EHADRM O=C([O-])NC1(CC(=O)Nc2ccccc2CCC(F)(F)F)CCC1 ZINC000832215698 603726649 /nfs/dbraw/zinc/72/66/49/603726649.db2.gz IDPWWKASSLHDIQ-UHFFFAOYSA-N -1 0 344.333 3.700 20 0 EHADRM C[C@@H](N(C)C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-])C1(C)CC1 ZINC000825055767 603805300 /nfs/dbraw/zinc/80/53/00/603805300.db2.gz NJYKEMLSOWKOEG-GFCCVEGCSA-N -1 0 331.416 3.770 20 0 EHADRM CCc1ccccc1NC(=S)N(C)CC[C@H](NC(=O)[O-])C(C)C ZINC000827604043 603830604 /nfs/dbraw/zinc/83/06/04/603830604.db2.gz DDPACOSEYLXTJV-AWEZNQCLSA-N -1 0 337.489 3.560 20 0 EHADRM Cc1cccc(C)c1NC(=S)N(C)CC[C@@H](NC(=O)[O-])C(C)C ZINC000830489169 603831487 /nfs/dbraw/zinc/83/14/87/603831487.db2.gz QTXXDVDVUVEJHH-CQSZACIVSA-N -1 0 337.489 3.614 20 0 EHADRM Cc1ccc(C(=O)N[C@@H]2COc3c2cccc3Cl)cc1NC(=O)[O-] ZINC000830211477 603887864 /nfs/dbraw/zinc/88/78/64/603887864.db2.gz RPJVBIMVTDPOHC-CQSZACIVSA-N -1 0 346.770 3.602 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2ncc(Cl)s2)c(Cl)c1 ZINC000832838746 603923197 /nfs/dbraw/zinc/92/31/97/603923197.db2.gz MAKWMXGXHWCPPP-UHFFFAOYSA-N -1 0 332.168 3.792 20 0 EHADRM Cc1ccc(Oc2ccccc2)c(NC(=O)CC2CN(C(=O)[O-])C2)c1 ZINC000830411568 603923450 /nfs/dbraw/zinc/92/34/50/603923450.db2.gz YCOZADTXLWKRHM-UHFFFAOYSA-N -1 0 340.379 3.726 20 0 EHADRM CN(CCCC(=O)Nc1cccc(CCC(F)(F)F)c1)C(=O)[O-] ZINC000828285023 603928030 /nfs/dbraw/zinc/92/80/30/603928030.db2.gz JSIXGVUNKOZSGO-UHFFFAOYSA-N -1 0 332.322 3.510 20 0 EHADRM O=C([O-])N1CCC[C@H](C(=O)Nc2cccc(CCC(F)(F)F)c2)C1 ZINC000831785633 603928635 /nfs/dbraw/zinc/92/86/35/603928635.db2.gz SITUDEIQXMVHHN-LBPRGKRZSA-N -1 0 344.333 3.510 20 0 EHADRM CCC[C@@H](NC(=O)[O-])C(=O)Nc1ccc(CNc2ccccc2)cc1 ZINC000826759171 603944144 /nfs/dbraw/zinc/94/41/44/603944144.db2.gz WRYNCGLQIHDUBS-QGZVFWFLSA-N -1 0 341.411 3.674 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)c1cnc2ccsc2c1 ZINC000831797125 603947086 /nfs/dbraw/zinc/94/70/86/603947086.db2.gz CBSLWUNXAVUSOF-UHFFFAOYSA-N -1 0 339.376 3.589 20 0 EHADRM O=C(CCCOc1ccccc1)Nc1cccc2c1CCN2C(=O)[O-] ZINC000831429143 603953564 /nfs/dbraw/zinc/95/35/64/603953564.db2.gz PMTGSQRXOJHUMX-UHFFFAOYSA-N -1 0 340.379 3.525 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)CCc1cc(F)ccc1F ZINC000831437894 603953575 /nfs/dbraw/zinc/95/35/75/603953575.db2.gz WLRZZYMICBTZGA-UHFFFAOYSA-N -1 0 346.333 3.577 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)N(Cc2ccccc2)c2ccccc2)C1 ZINC000832240323 603953972 /nfs/dbraw/zinc/95/39/72/603953972.db2.gz VRGCAFQXPPUHMK-IAGOWNOFSA-N -1 0 338.407 3.656 20 0 EHADRM Cc1ccc(F)c(NC(=O)Nc2cccc3c2CCN3C(=O)[O-])c1 ZINC000830328305 603968000 /nfs/dbraw/zinc/96/80/00/603968000.db2.gz FHFSGUFRNAIFIN-UHFFFAOYSA-N -1 0 329.331 3.819 20 0 EHADRM O=C([O-])N[C@H]1CC[C@H](C(=O)N(Cc2cccc(F)c2)C2CCCC2)C1 ZINC000832239617 603976167 /nfs/dbraw/zinc/97/61/67/603976167.db2.gz MDWPYSHIKHCMHO-HOCLYGCPSA-N -1 0 348.418 3.533 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)N1CCC[C@@H]1C1CCCC1 ZINC000832068604 603978201 /nfs/dbraw/zinc/97/82/01/603978201.db2.gz CLPLVTUEONIHIZ-MRXNPFEDSA-N -1 0 343.427 3.914 20 0 EHADRM CC(C)N(Cc1ccco1)C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000824351589 603988736 /nfs/dbraw/zinc/98/87/36/603988736.db2.gz PGAFRXUCGWRRKA-UHFFFAOYSA-N -1 0 343.383 3.763 20 0 EHADRM CC(C)C[C@H]1CCCN1C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000824225181 603991605 /nfs/dbraw/zinc/99/16/05/603991605.db2.gz QKFUMFZYHYENJT-CYBMUJFWSA-N -1 0 331.416 3.770 20 0 EHADRM O=C([O-])Nc1cc2c(cc1NC(=O)CCCc1cccs1)OCO2 ZINC000832820713 604008134 /nfs/dbraw/zinc/00/81/34/604008134.db2.gz MABXKHPGQBXGAS-UHFFFAOYSA-N -1 0 348.380 3.528 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)OCc2cccc3ccccc32)o1 ZINC000832714456 604014236 /nfs/dbraw/zinc/01/42/36/604014236.db2.gz CWQBLEFYPALAKL-UHFFFAOYSA-N -1 0 325.320 3.557 20 0 EHADRM Cc1cc(C)c(NC(=O)N2CCC[C@H]([C@H](C)NC(=O)[O-])C2)c(C)c1 ZINC000829990767 604059228 /nfs/dbraw/zinc/05/92/28/604059228.db2.gz HJLOXHVDDKSTMD-GJZGRUSLSA-N -1 0 333.432 3.512 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@H]([C@H](C)NC(=O)[O-])C2)c(Cl)c1 ZINC000830382662 604066025 /nfs/dbraw/zinc/06/60/25/604066025.db2.gz RXAGHNCYMVNZBL-RYUDHWBXSA-N -1 0 339.823 3.548 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)c(Cl)c1 ZINC000830382663 604066130 /nfs/dbraw/zinc/06/61/30/604066130.db2.gz RXAGHNCYMVNZBL-VXGBXAGGSA-N -1 0 339.823 3.548 20 0 EHADRM COc1cccc(C2(NC(=O)Nc3ccc(NC(=O)[O-])cc3)CC2)c1 ZINC000829550462 604085473 /nfs/dbraw/zinc/08/54/73/604085473.db2.gz MPUNZBBYRVHVGH-UHFFFAOYSA-N -1 0 341.367 3.596 20 0 EHADRM Cc1ccc(C(=O)N[C@@](C)(C2CC2)C(F)(F)F)cc1NC(=O)[O-] ZINC000830205267 604089356 /nfs/dbraw/zinc/08/93/56/604089356.db2.gz NKWCOAJBJOWVEF-AWEZNQCLSA-N -1 0 330.306 3.546 20 0 EHADRM CCS[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000827503361 604125869 /nfs/dbraw/zinc/12/58/69/604125869.db2.gz IOQYFYRXFICDBA-DZGCQCFKSA-N -1 0 349.456 3.523 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)N3CCC[C@@H]4CCC[C@H]43)ccc21 ZINC000832080068 604136185 /nfs/dbraw/zinc/13/61/85/604136185.db2.gz QMFCDTPVHYRADM-SWLSCSKDSA-N -1 0 329.400 3.524 20 0 EHADRM O=C([O-])N1CCc2c(cccc2NC(=O)N2CCC[C@H]3CCC[C@@H]32)C1 ZINC000832079079 604138528 /nfs/dbraw/zinc/13/85/28/604138528.db2.gz CXGRSUYQTCFHJA-DYVFJYSZSA-N -1 0 343.427 3.519 20 0 EHADRM O=C([O-])N1CCc2c(cccc2NC(=O)N2CCC[C@@H]3CCC[C@H]32)C1 ZINC000832079082 604138639 /nfs/dbraw/zinc/13/86/39/604138639.db2.gz CXGRSUYQTCFHJA-SUMWQHHRSA-N -1 0 343.427 3.519 20 0 EHADRM Cc1ccc(-c2ccncc2)cc1NC(=O)CC1(NC(=O)[O-])CCC1 ZINC000830149813 604141151 /nfs/dbraw/zinc/14/11/51/604141151.db2.gz UNPIJHJHAYENAD-UHFFFAOYSA-N -1 0 339.395 3.576 20 0 EHADRM CC(C)[C@@H](C(=O)OC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccccc1 ZINC000824057086 604239461 /nfs/dbraw/zinc/23/94/61/604239461.db2.gz OTDRBZOGDOINTN-FCLJQHQZSA-N -1 0 331.412 3.643 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N1CCC[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000829845726 604244742 /nfs/dbraw/zinc/24/47/42/604244742.db2.gz TVTLNKRNCNGLLQ-KGLIPLIRSA-N -1 0 344.411 3.558 20 0 EHADRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000825235026 604251924 /nfs/dbraw/zinc/25/19/24/604251924.db2.gz BDTFGWRQNQLMJS-VHSXEESVSA-N -1 0 345.226 3.502 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2Br)cc1F ZINC000833160862 604264093 /nfs/dbraw/zinc/26/40/93/604264093.db2.gz ZCAPJPIGKCYWNY-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM C/C=C(/C=C\C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)CC ZINC000828541310 604265487 /nfs/dbraw/zinc/26/54/87/604265487.db2.gz DNPXHEOEVXAALJ-IKJNXXLOSA-N -1 0 325.311 3.837 20 0 EHADRM Cc1ccccc1NC(=S)NCc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000830586737 604285495 /nfs/dbraw/zinc/28/54/95/604285495.db2.gz PBJVGMOHIBPZIT-CYBMUJFWSA-N -1 0 343.452 3.810 20 0 EHADRM CCCCOc1cccc(NC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)c1 ZINC000829421914 604291607 /nfs/dbraw/zinc/29/16/07/604291607.db2.gz MXDOXACROAUIGG-UHFFFAOYSA-N -1 0 330.384 3.761 20 0 EHADRM CC(C)N(Cc1cccc(F)c1)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000826951768 604292806 /nfs/dbraw/zinc/29/28/06/604292806.db2.gz PDAJUOIEGIRQAM-UHFFFAOYSA-N -1 0 333.334 3.714 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000439905477 604295963 /nfs/dbraw/zinc/29/59/63/604295963.db2.gz UUSDVGNWOJRSRW-AWEZNQCLSA-N -1 0 338.190 3.858 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@H]1CCCCc2ccccc21 ZINC000738164881 604302161 /nfs/dbraw/zinc/30/21/61/604302161.db2.gz ZVWPPBWHJHXDPC-HNNXBMFYSA-N -1 0 326.396 3.527 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1cccc(SC(F)F)c1 ZINC000738169329 604304915 /nfs/dbraw/zinc/30/49/15/604304915.db2.gz WFFFHLMGXRJNDB-UHFFFAOYSA-N -1 0 340.351 3.897 20 0 EHADRM C[C@H](CC(=O)N(C)[C@@H](C)c1cccs1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824552438 604310959 /nfs/dbraw/zinc/31/09/59/604310959.db2.gz QLKYQWCOAUJTBC-HZSPNIEDSA-N -1 0 338.473 3.684 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1ccnc(-c2ccccc2)c1 ZINC000738168544 604312788 /nfs/dbraw/zinc/31/27/88/604312788.db2.gz JKBKVWDSVAWYOI-UHFFFAOYSA-N -1 0 335.363 3.644 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1cc(C(F)(F)F)ccc1C ZINC000325880111 604329886 /nfs/dbraw/zinc/32/98/86/604329886.db2.gz NTEMKPBBXDGEMT-UHFFFAOYSA-N -1 0 340.301 3.909 20 0 EHADRM CCC1CCC(N(C(=O)Nc2cc(C(=O)[O-])n(C)c2)C2CC2)CC1 ZINC000829080775 604355642 /nfs/dbraw/zinc/35/56/42/604355642.db2.gz IOIIRLVYUHZPPA-UHFFFAOYSA-N -1 0 333.432 3.688 20 0 EHADRM Cc1ccc(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])cc1-c1ncco1 ZINC000424378343 604371291 /nfs/dbraw/zinc/37/12/91/604371291.db2.gz GEOFMWVMAGEIAA-ZDUSSCGKSA-N -1 0 345.399 3.518 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(F)cc2C(F)(F)F)s1 ZINC000833319168 604377295 /nfs/dbraw/zinc/37/72/95/604377295.db2.gz HWDQWSXKJUIPKF-UHFFFAOYSA-N -1 0 333.262 3.857 20 0 EHADRM C[C@@H]1CCCC[C@H]1OCC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000828252566 604380371 /nfs/dbraw/zinc/38/03/71/604380371.db2.gz UYQYXMBDRLNPDZ-QGPMSJSTSA-N -1 0 347.455 3.550 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)CCc1ccc(F)cc1)c1ccccc1 ZINC000826088969 604386699 /nfs/dbraw/zinc/38/66/99/604386699.db2.gz FQZGLDDAFNJEFX-SFHVURJKSA-N -1 0 343.398 3.727 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1ccc(F)c(Cl)c1)c1ccccc1 ZINC000828594491 604389482 /nfs/dbraw/zinc/38/94/82/604389482.db2.gz DGBMVUQYZNGDLW-HNNXBMFYSA-N -1 0 335.762 3.989 20 0 EHADRM O=C([O-])c1ccc(-c2ccc(C(=O)OC[C@H]3CCCOC3)cc2)cc1 ZINC000833308887 604409534 /nfs/dbraw/zinc/40/95/34/604409534.db2.gz WAOFNZVTESRYCQ-AWEZNQCLSA-N -1 0 340.375 3.635 20 0 EHADRM C[C@@H](c1ccccc1)n1ccc(NCc2ccc(NC(=O)[O-])nc2)n1 ZINC000825639536 604411597 /nfs/dbraw/zinc/41/15/97/604411597.db2.gz TYKVNXJRRFLJRK-ZDUSSCGKSA-N -1 0 337.383 3.589 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)O[C@H]2CCc3sc(Cl)cc32)C1 ZINC000833190043 604415621 /nfs/dbraw/zinc/41/56/21/604415621.db2.gz VQZKPJLIGLYUKF-YWVKMMECSA-N -1 0 328.817 3.823 20 0 EHADRM Cn1nc(C2CCCCC2)cc1NCc1ccc(NC(=O)[O-])nc1 ZINC000831051161 604418987 /nfs/dbraw/zinc/41/89/87/604418987.db2.gz XRBXGXHJDSSUTQ-UHFFFAOYSA-N -1 0 329.404 3.565 20 0 EHADRM C[C@H](NC(=O)NCc1ccc([C@H](C)NC(=O)[O-])cc1)c1cccs1 ZINC000825383930 604421654 /nfs/dbraw/zinc/42/16/54/604421654.db2.gz YACCBBPFSUPQDG-RYUDHWBXSA-N -1 0 347.440 3.637 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cccc(F)c1F ZINC000829025417 604426928 /nfs/dbraw/zinc/42/69/28/604426928.db2.gz CFESGHOAAADFHP-OAHLLOKOSA-N -1 0 333.334 3.643 20 0 EHADRM COc1ccc(-c2nc(CN(C)C3(C(=O)[O-])CCCC3)cs2)cc1 ZINC000832130076 604453731 /nfs/dbraw/zinc/45/37/31/604453731.db2.gz XCBWSRSIAMFHGY-UHFFFAOYSA-N -1 0 346.452 3.648 20 0 EHADRM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCC[C@@H]2c2cccs2)c1 ZINC000652377061 604454091 /nfs/dbraw/zinc/45/40/91/604454091.db2.gz VDPOXYYRMTXWEL-WBVHZDCISA-N -1 0 347.436 3.728 20 0 EHADRM CCc1oc(C(=O)N2CCCc3cc(CNC(=O)[O-])ccc32)cc1C ZINC000827674635 604457363 /nfs/dbraw/zinc/45/73/63/604457363.db2.gz CJADFMPUPJAMOQ-UHFFFAOYSA-N -1 0 342.395 3.511 20 0 EHADRM CC(C)(C)O[C@@H](C(=O)Nc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000833446015 604469196 /nfs/dbraw/zinc/46/91/96/604469196.db2.gz MRNUKODLWAYLSZ-CQSZACIVSA-N -1 0 333.409 3.941 20 0 EHADRM CC(C)(CCC(=O)Oc1ccccc1CC(=O)[O-])c1ccccc1 ZINC000833456794 604481917 /nfs/dbraw/zinc/48/19/17/604481917.db2.gz ANXFIAZZEQZJBQ-UHFFFAOYSA-N -1 0 326.392 3.977 20 0 EHADRM CCn1cc(CC(=O)OC2CCC(CC(=O)[O-])CC2)c2ccccc21 ZINC000833682526 604496293 /nfs/dbraw/zinc/49/62/93/604496293.db2.gz OWKFUKYWYNBZCW-UHFFFAOYSA-N -1 0 343.423 3.780 20 0 EHADRM Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2cc(C(=O)[O-])cs2)s1 ZINC000832994496 604498137 /nfs/dbraw/zinc/49/81/37/604498137.db2.gz KZTIFMYUNMLUAD-QMMMGPOBSA-N -1 0 339.442 3.745 20 0 EHADRM COc1ccccc1C[C@@H](C)N(C)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000832607556 604503545 /nfs/dbraw/zinc/50/35/45/604503545.db2.gz IIPYLUFEHACLOO-LLVKDONJSA-N -1 0 348.424 3.550 20 0 EHADRM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000827928026 604504082 /nfs/dbraw/zinc/50/40/82/604504082.db2.gz DFPZPJGRQXWHBJ-QMMMGPOBSA-N -1 0 340.351 3.949 20 0 EHADRM Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(NC(=O)[O-])cc1Cl)CO2 ZINC000830445321 604505100 /nfs/dbraw/zinc/50/51/00/604505100.db2.gz FTPIJQTVONFPDF-CQSZACIVSA-N -1 0 346.770 3.602 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)NCCCCCCCC(=O)[O-])n1 ZINC000832968747 604510936 /nfs/dbraw/zinc/51/09/36/604510936.db2.gz RUIJVWVOROWGRV-QGZVFWFLSA-N -1 0 347.459 3.662 20 0 EHADRM O=C([O-])c1csc(NC(=O)NCCCCOCc2ccccc2)c1 ZINC000833138670 604518945 /nfs/dbraw/zinc/51/89/45/604518945.db2.gz YKPXTLHOGTYQCQ-UHFFFAOYSA-N -1 0 348.424 3.565 20 0 EHADRM C[C@@H]1CC[C@@H](C)N(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000828215088 604524402 /nfs/dbraw/zinc/52/44/02/604524402.db2.gz ZISFRFBCXXNAPQ-FMKPAKJESA-N -1 0 332.444 3.669 20 0 EHADRM CCN(C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])[C@@H](C)C(C)C ZINC000829597799 604536973 /nfs/dbraw/zinc/53/69/73/604536973.db2.gz UVDIOQMJGDXYHH-GOEBONIOSA-N -1 0 334.460 3.915 20 0 EHADRM CC(C)c1ccc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])cn1 ZINC000827456510 604543375 /nfs/dbraw/zinc/54/33/75/604543375.db2.gz YORUXAJGTHFWFV-OAHLLOKOSA-N -1 0 340.423 3.568 20 0 EHADRM CC(C)Sc1ccc(C(=O)NCCc2cccc(C(=O)[O-])c2)cc1 ZINC000539678288 604547395 /nfs/dbraw/zinc/54/73/95/604547395.db2.gz SECBQOCVJQINCH-UHFFFAOYSA-N -1 0 343.448 3.858 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)Cc2cccc3cccnc32)oc1C(=O)[O-] ZINC000832871755 604552423 /nfs/dbraw/zinc/55/24/23/604552423.db2.gz JRHUFSFFYNBATK-GFCCVEGCSA-N -1 0 339.347 3.681 20 0 EHADRM COc1ccc2cc(C(=O)O[C@H](C)c3cc(C)c(C(=O)[O-])o3)[nH]c2c1 ZINC000832504710 604560279 /nfs/dbraw/zinc/56/02/79/604560279.db2.gz UHQOCBRURLBBCH-SNVBAGLBSA-N -1 0 343.335 3.694 20 0 EHADRM CCO[C@@H](C(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1)c1ccccc1 ZINC000829901185 604571406 /nfs/dbraw/zinc/57/14/06/604571406.db2.gz JEPDYGPKPCXJPG-MLGOLLRUSA-N -1 0 332.352 3.668 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000263087520 604576645 /nfs/dbraw/zinc/57/66/45/604576645.db2.gz ZRNHQOQAXYEFHZ-OAHLLOKOSA-N -1 0 335.831 3.618 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000262816373 604577707 /nfs/dbraw/zinc/57/77/07/604577707.db2.gz AFLNMZDTPMPDJD-AWEZNQCLSA-N -1 0 333.453 3.824 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000262819716 604584733 /nfs/dbraw/zinc/58/47/33/604584733.db2.gz AKWHAEUPGFBWTP-MFKMUULPSA-N -1 0 344.238 3.638 20 0 EHADRM CC(C)Cn1ncc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1C1CC1 ZINC000761661568 604591288 /nfs/dbraw/zinc/59/12/88/604591288.db2.gz CLHOGBHKJQGDPU-UHFFFAOYSA-N -1 0 345.374 3.506 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2cccc(N3CC=CC3)c2)oc1C(=O)[O-] ZINC000832875807 604594109 /nfs/dbraw/zinc/59/41/09/604594109.db2.gz PHMXXPZEEGMKRS-ZDUSSCGKSA-N -1 0 341.363 3.580 20 0 EHADRM CC1=C(C(=O)O[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CCCO1 ZINC000833578367 604595373 /nfs/dbraw/zinc/59/53/73/604595373.db2.gz GYBQDWYTMAZUPR-ZDUSSCGKSA-N -1 0 345.178 3.747 20 0 EHADRM O=C([O-])[C@H](OC(=O)/C=C/SCc1ccco1)c1ccccc1F ZINC000833093205 604601160 /nfs/dbraw/zinc/60/11/60/604601160.db2.gz VMMLLZWOQBZEAQ-LOWQCSRCSA-N -1 0 336.340 3.535 20 0 EHADRM CC(C)c1cc(C(=O)N2CCC[C@@H]2CC(=O)[O-])c(O)c(C(C)C)c1 ZINC000827102242 604606589 /nfs/dbraw/zinc/60/65/89/604606589.db2.gz ZQVSAEAWWVEHTR-CQSZACIVSA-N -1 0 333.428 3.718 20 0 EHADRM C/C(=C/c1ccccc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000761395165 604616717 /nfs/dbraw/zinc/61/67/17/604616717.db2.gz ZKNUZJHNAJPPAR-QAAVPBIRSA-N -1 0 343.810 3.555 20 0 EHADRM C[C@@H](CN(C)c1nc(-c2cccs2)nc2ccccc21)C(=O)[O-] ZINC000827442529 604626316 /nfs/dbraw/zinc/62/63/16/604626316.db2.gz PQPSFFHAJJQJSB-NSHDSACASA-N -1 0 327.409 3.515 20 0 EHADRM CN(C(=O)[O-])c1ccc(NCc2cnc(-c3ccccn3)s2)cc1 ZINC000830519209 604643178 /nfs/dbraw/zinc/64/31/78/604643178.db2.gz OMZRXUFXHMFZTA-UHFFFAOYSA-N -1 0 340.408 3.931 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000833210713 604676251 /nfs/dbraw/zinc/67/62/51/604676251.db2.gz OMQOLFQDNYQUPY-SJLPKXTDSA-N -1 0 348.418 3.706 20 0 EHADRM CCN(c1ccc(NC(=O)Cc2cccc(C(=O)[O-])c2)cc1)C(C)C ZINC000833655065 604677193 /nfs/dbraw/zinc/67/71/93/604677193.db2.gz WAQVTLFQKNIFPB-UHFFFAOYSA-N -1 0 340.423 3.801 20 0 EHADRM Cc1ccccc1[C@H](CC(C)C)NC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000832977116 604685240 /nfs/dbraw/zinc/68/52/40/604685240.db2.gz MPLCOKPFTYXNSU-WBVHZDCISA-N -1 0 332.444 3.731 20 0 EHADRM CC(C)(C)OC(=O)c1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000833443961 604685633 /nfs/dbraw/zinc/68/56/33/604685633.db2.gz GUNPKGYPVRQZAV-UHFFFAOYSA-N -1 0 341.363 3.592 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)c1ccc(F)c(Cl)c1)c1ccccc1 ZINC000391280080 604687678 /nfs/dbraw/zinc/68/76/78/604687678.db2.gz FIHWNWFCEIPOEH-HNNXBMFYSA-N -1 0 335.762 3.815 20 0 EHADRM CC(=O)Nc1ccc(Cl)c(C(=O)Oc2cc(C(=O)[O-])ccc2C)c1 ZINC000825903087 604700719 /nfs/dbraw/zinc/70/07/19/604700719.db2.gz RYXWSMAPAXQMIU-UHFFFAOYSA-N -1 0 347.754 3.524 20 0 EHADRM CC(C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1C(=O)[O-] ZINC000833496661 604725102 /nfs/dbraw/zinc/72/51/02/604725102.db2.gz OKCZKYCRRLMOOH-UHFFFAOYSA-N -1 0 343.398 3.894 20 0 EHADRM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000262817312 604742472 /nfs/dbraw/zinc/74/24/72/604742472.db2.gz PQWZLXIXBBLLNK-QWHCGFSZSA-N -1 0 341.382 3.601 20 0 EHADRM CCn1c(S[C@H](C)c2ccc(C(=O)[O-])o2)nnc1-c1cccnc1 ZINC000830416448 604751534 /nfs/dbraw/zinc/75/15/34/604751534.db2.gz VVLUHLUJQSYQSN-SNVBAGLBSA-N -1 0 344.396 3.505 20 0 EHADRM C[C@@H](SCc1ccc(C(=O)[O-])cc1F)C(=O)NC1CCCCC1 ZINC000833542482 604757367 /nfs/dbraw/zinc/75/73/67/604757367.db2.gz JSMOOMBJJXZHMR-LLVKDONJSA-N -1 0 339.432 3.595 20 0 EHADRM Cc1ccccc1-c1noc(CN2CC[C@H](C(=O)[O-])c3ccccc32)n1 ZINC000643055082 604772567 /nfs/dbraw/zinc/77/25/67/604772567.db2.gz UDMVGCCQNMRIQZ-INIZCTEOSA-N -1 0 349.390 3.624 20 0 EHADRM CC(C)(C)[C@H](NC(=O)Cc1ccccc1C(=O)[O-])c1ccccc1 ZINC000261772521 604781731 /nfs/dbraw/zinc/78/17/31/604781731.db2.gz XCCTVOSROIHSRY-GOSISDBHSA-N -1 0 325.408 3.831 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)C1(C)C ZINC000679098142 604811071 /nfs/dbraw/zinc/81/10/71/604811071.db2.gz QNWZUOVRFLOFMA-SJORKVTESA-N -1 0 327.424 3.508 20 0 EHADRM CC(C)C[C@H](C)n1nccc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000833474915 604812128 /nfs/dbraw/zinc/81/21/28/604812128.db2.gz BAKMWKRBEIDBDP-AWEZNQCLSA-N -1 0 343.427 3.760 20 0 EHADRM CCC(CC)n1ccc(CNc2ccc(OCC(=O)[O-])cc2C)n1 ZINC000828870421 604815131 /nfs/dbraw/zinc/81/51/31/604815131.db2.gz QEPURQOAKXHPSE-UHFFFAOYSA-N -1 0 331.416 3.628 20 0 EHADRM CC(C)CC1(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)CCCC1 ZINC000325378765 604815386 /nfs/dbraw/zinc/81/53/86/604815386.db2.gz RUVCRQFNALZOBF-UHFFFAOYSA-N -1 0 329.440 3.876 20 0 EHADRM C[C@@H](CSCc1ccccc1)C(=O)Nc1ccsc1C(=O)[O-] ZINC000827580827 604815731 /nfs/dbraw/zinc/81/57/31/604815731.db2.gz HCKMKABIHTYUFT-NSHDSACASA-N -1 0 335.450 3.954 20 0 EHADRM CCn1c2ccc(Cl)cc2nc1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000833684349 604820495 /nfs/dbraw/zinc/82/04/95/604820495.db2.gz YSFRALMCYORJKW-UHFFFAOYSA-N -1 0 343.770 3.660 20 0 EHADRM Cc1ccc2cc(C(=O)Nc3ccc(N(C)C(=O)[O-])cc3)ccc2n1 ZINC000832962204 604824005 /nfs/dbraw/zinc/82/40/05/604824005.db2.gz VPLYRGJOILJMCD-UHFFFAOYSA-N -1 0 335.363 3.910 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)cc1F ZINC000833132053 604824812 /nfs/dbraw/zinc/82/48/12/604824812.db2.gz QHVIHCIJSQQWKH-RDTXWAMCSA-N -1 0 341.382 3.665 20 0 EHADRM CC(C)COC[C@@H](Nc1nc(Cl)c(C(=O)[O-])s1)c1ccco1 ZINC000833489740 604825121 /nfs/dbraw/zinc/82/51/21/604825121.db2.gz ZXRMKNZKOAUSNO-SECBINFHSA-N -1 0 344.820 3.914 20 0 EHADRM C[C@@H]1CSc2ccccc2N1C(=O)CCc1ccccc1C(=O)[O-] ZINC000833633167 604838391 /nfs/dbraw/zinc/83/83/91/604838391.db2.gz URTVAVALHDCDJB-CYBMUJFWSA-N -1 0 341.432 3.845 20 0 EHADRM C[C@H]1CSc2ccccc2N(C(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC000833631634 604842726 /nfs/dbraw/zinc/84/27/26/604842726.db2.gz FLOPQTCHCLAOCW-CYBMUJFWSA-N -1 0 341.432 3.702 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)C[C@H](C)c2ccccc2)cc1 ZINC000013188503 604843276 /nfs/dbraw/zinc/84/32/76/604843276.db2.gz XLAHIXQMIXYTFA-KSSFIOAISA-N -1 0 341.407 3.521 20 0 EHADRM Cc1cccc(-c2cncc(C(=O)OCc3ccoc3C(=O)[O-])c2)c1 ZINC000832960863 604848216 /nfs/dbraw/zinc/84/82/16/604848216.db2.gz MAANXYZPISBZPH-UHFFFAOYSA-N -1 0 337.331 3.705 20 0 EHADRM C[C@H]1CC[C@H](CC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)C1 ZINC000828221857 604850119 /nfs/dbraw/zinc/85/01/19/604850119.db2.gz ZTTDJOODNNMYSP-QWRGUYRKSA-N -1 0 325.792 3.568 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000833385056 604860980 /nfs/dbraw/zinc/86/09/80/604860980.db2.gz FVZHRWWZPXXEAH-GZKZCVOOSA-N -1 0 339.366 3.834 20 0 EHADRM Cc1ccc(Cl)c(NC(=O)N2CCC([C@@H](C)NC(=O)[O-])CC2)c1 ZINC000830323092 604863909 /nfs/dbraw/zinc/86/39/09/604863909.db2.gz CCJUOJINAZNWLI-LLVKDONJSA-N -1 0 339.823 3.548 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000013223955 604865076 /nfs/dbraw/zinc/86/50/76/604865076.db2.gz HCRDNTSDKDIBHF-AWEZNQCLSA-N -1 0 337.297 3.651 20 0 EHADRM Cc1ccc(SCCC(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000013224263 604867084 /nfs/dbraw/zinc/86/70/84/604867084.db2.gz FEQDIPWQJWYRFI-QGZVFWFLSA-N -1 0 343.448 3.809 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000325410493 604870257 /nfs/dbraw/zinc/87/02/57/604870257.db2.gz DILCSWGUPCAVEZ-LBPRGKRZSA-N -1 0 340.345 3.904 20 0 EHADRM CC(C)Cc1ccc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000679102855 604877506 /nfs/dbraw/zinc/87/75/06/604877506.db2.gz IVLWWOVADOOQBY-QGZVFWFLSA-N -1 0 331.456 3.848 20 0 EHADRM C[C@H](C(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F)c1ccco1 ZINC000833406040 604881677 /nfs/dbraw/zinc/88/16/77/604881677.db2.gz KNWBSUZJCSDTGU-ZANVPECISA-N -1 0 342.269 3.928 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1 ZINC000325352689 604885080 /nfs/dbraw/zinc/88/50/80/604885080.db2.gz LHCBAHKUMSGIHL-QBPKDAKJSA-N -1 0 335.488 3.942 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C[C@@H]2CCc3ccccc3C2)C1 ZINC000679102955 604885298 /nfs/dbraw/zinc/88/52/98/604885298.db2.gz LQCJHDGAGIWPMT-CRAIPNDOSA-N -1 0 343.467 3.531 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000318035890 604889960 /nfs/dbraw/zinc/88/99/60/604889960.db2.gz FYFVRSQETWFDBR-NSHDSACASA-N -1 0 344.238 3.956 20 0 EHADRM C[C@]1(NC(=O)c2cc(F)c(Cl)cc2Cl)CCCC[C@H]1C(=O)[O-] ZINC000262833924 604893218 /nfs/dbraw/zinc/89/32/18/604893218.db2.gz RFWPVAFSIKBXFY-VFZGTOFNSA-N -1 0 348.201 3.896 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)/C=C\c2ccc(Cl)cc2)C1 ZINC000391174907 604896803 /nfs/dbraw/zinc/89/68/03/604896803.db2.gz GDFJJWQRKDCKHS-YHAOYDPOSA-N -1 0 335.831 3.703 20 0 EHADRM O=C([O-])c1cncc(NC(=O)CSc2ccc3ccccc3c2)c1 ZINC000833116189 604902082 /nfs/dbraw/zinc/90/20/82/604902082.db2.gz NJUFQIHFHUWNHP-UHFFFAOYSA-N -1 0 338.388 3.664 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000833319348 604916309 /nfs/dbraw/zinc/91/63/09/604916309.db2.gz IVKLFRJRAVDJSQ-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM C[C@H](CC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21)C1CCN(C(=O)[O-])CC1 ZINC000824565905 604921495 /nfs/dbraw/zinc/92/14/95/604921495.db2.gz UGAQDNCWRVQVAE-MUIFIZLQSA-N -1 0 336.476 3.582 20 0 EHADRM Cc1cnc(CNc2cc(Br)cc(C(=O)[O-])c2Cl)o1 ZINC000833753845 604926730 /nfs/dbraw/zinc/92/67/30/604926730.db2.gz GNXVFSOXMUYSLH-UHFFFAOYSA-N -1 0 345.580 3.709 20 0 EHADRM Cc1nn(Cc2coc(-c3ccc(C)cc3)n2)c(C)c1[C@H](C)C(=O)[O-] ZINC000833746407 604926963 /nfs/dbraw/zinc/92/69/63/604926963.db2.gz DOBLJMMOMRKOBV-LBPRGKRZSA-N -1 0 339.395 3.700 20 0 EHADRM C[C@H](c1c(F)cccc1F)N(C)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000827928388 604929045 /nfs/dbraw/zinc/92/90/45/604929045.db2.gz GMBUVCSTOPZNCY-SECBINFHSA-N -1 0 337.297 3.635 20 0 EHADRM CN(Cc1cccc2ccccc21)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000830852279 604929050 /nfs/dbraw/zinc/92/90/50/604929050.db2.gz MPQVAUWZBFSMHP-UHFFFAOYSA-N -1 0 337.350 3.949 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)Oc2ccsc2C(=O)[O-])s1 ZINC000833450063 604929386 /nfs/dbraw/zinc/92/93/86/604929386.db2.gz YHGLHVVGXDCKRZ-UHFFFAOYSA-N -1 0 346.451 3.573 20 0 EHADRM CCc1ccsc1C(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC000262216331 604937651 /nfs/dbraw/zinc/93/76/51/604937651.db2.gz YCHKRFOFAAUURV-UHFFFAOYSA-N -1 0 331.437 3.818 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000833680756 604937658 /nfs/dbraw/zinc/93/76/58/604937658.db2.gz NNJAIVHOBKOVBH-NWDGAFQWSA-N -1 0 334.393 3.757 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)/C=C\c1cccs1 ZINC000588391151 604937862 /nfs/dbraw/zinc/93/78/62/604937862.db2.gz GBAMGENEHVRLGQ-KHPPLWFESA-N -1 0 329.421 3.655 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000832968260 604944954 /nfs/dbraw/zinc/94/49/54/604944954.db2.gz ONWYHYARRSKJBC-QGZVFWFLSA-N -1 0 327.355 3.810 20 0 EHADRM COc1cc2ccccc2cc1C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000833730310 604959187 /nfs/dbraw/zinc/95/91/87/604959187.db2.gz SBSGBJJEXNMWTJ-OXJNMPFZSA-N -1 0 341.407 3.612 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2ccnn2C2CCCC2)cc1 ZINC000825449321 604967696 /nfs/dbraw/zinc/96/76/96/604967696.db2.gz OBNGMPBSDSPYJZ-GFCCVEGCSA-N -1 0 342.399 3.579 20 0 EHADRM CCOc1cccc2cc([C@H](C)N[C@@H](C(=O)[O-])c3cccnc3)oc21 ZINC000830104302 604973157 /nfs/dbraw/zinc/97/31/57/604973157.db2.gz FEWFRXPMVZULJD-YVEFUNNKSA-N -1 0 340.379 3.703 20 0 EHADRM CCCN(C(=O)[C@H](C)NC(=O)[O-])[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000833651685 604976055 /nfs/dbraw/zinc/97/60/55/604976055.db2.gz VPOKHOALLHLNLE-VHSXEESVSA-N -1 0 347.242 3.949 20 0 EHADRM CC(C)[C@H](OC(=O)[C@H](C)NC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000833470326 604983864 /nfs/dbraw/zinc/98/38/64/604983864.db2.gz AGHCCQQCRWXAOU-CABZTGNLSA-N -1 0 333.306 3.602 20 0 EHADRM Cc1cnn(-c2ccc(C)cc2NCc2cc(C(=O)[O-])oc2C)c1 ZINC000832909560 604984862 /nfs/dbraw/zinc/98/48/62/604984862.db2.gz ORWHSGODCKGMDU-UHFFFAOYSA-N -1 0 325.368 3.701 20 0 EHADRM CC(C)(C)c1ccc2cc(C(=O)N3CCCC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000679399602 605007742 /nfs/dbraw/zinc/00/77/42/605007742.db2.gz DMIKRTGLRSMBLW-HNNXBMFYSA-N -1 0 342.439 3.935 20 0 EHADRM CCC[C@@H](NC(=O)c1ccc(CSc2ccccc2)cc1)C(=O)[O-] ZINC000236894756 605022143 /nfs/dbraw/zinc/02/21/43/605022143.db2.gz XUGFTGPFEKAJAD-QGZVFWFLSA-N -1 0 343.448 3.962 20 0 EHADRM C[C@H](C(=O)NCCc1ccc(NC(=O)[O-])cc1)c1c(F)cccc1F ZINC000833403866 605030239 /nfs/dbraw/zinc/03/02/39/605030239.db2.gz DWJPIIOEIPBFTN-NSHDSACASA-N -1 0 348.349 3.517 20 0 EHADRM CCC[C@@H](C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1)C(C)C ZINC000833647321 605030651 /nfs/dbraw/zinc/03/06/51/605030651.db2.gz BTPSLSKTFXHKCX-LLVKDONJSA-N -1 0 335.429 3.847 20 0 EHADRM C[C@H](OC(=O)CC(C)(C)CC(=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000833527826 605031537 /nfs/dbraw/zinc/03/15/37/605031537.db2.gz FUIXJWXVTQVPAC-LBPRGKRZSA-N -1 0 331.368 3.837 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)OCc1cc(F)cc(Br)c1 ZINC000833455259 605033379 /nfs/dbraw/zinc/03/33/79/605033379.db2.gz MNKYKEUEBFFFSE-UHFFFAOYSA-N -1 0 347.180 3.522 20 0 EHADRM C[C@@H](CN(C)c1nnc(-c2cc(Cl)cc(Cl)c2)s1)C(=O)[O-] ZINC000263544778 605036352 /nfs/dbraw/zinc/03/63/52/605036352.db2.gz GFPCAOFDJCJUCN-ZETCQYMHSA-N -1 0 346.239 3.669 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NCc2nc(C3CCCC3)no2)cc1 ZINC000833418444 605051926 /nfs/dbraw/zinc/05/19/26/605051926.db2.gz HLZPVXOYYAZROE-UHFFFAOYSA-N -1 0 329.400 3.702 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)O[C@@H](C)c1ccc(F)cc1Cl ZINC000833485046 605054763 /nfs/dbraw/zinc/05/47/63/605054763.db2.gz XJVICJUBTIQNSK-ZANVPECISA-N -1 0 331.771 3.766 20 0 EHADRM CC1(C)C[C@H]1C(=O)OCc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833557243 605058634 /nfs/dbraw/zinc/05/86/34/605058634.db2.gz DVPQSAYJNKQENO-ZDUSSCGKSA-N -1 0 331.393 3.598 20 0 EHADRM CC1(C)CC[C@@H](C(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)C1 ZINC000833556991 605077605 /nfs/dbraw/zinc/07/76/05/605077605.db2.gz CPHVTIQSXSCMRT-CYBMUJFWSA-N -1 0 340.423 3.577 20 0 EHADRM Cc1nc(C2CCCCC2)sc1C(=O)NC1(C(=O)[O-])CCCC1 ZINC000833755433 605087655 /nfs/dbraw/zinc/08/76/55/605087655.db2.gz MVJYQPCUAGQEOT-UHFFFAOYSA-N -1 0 336.457 3.626 20 0 EHADRM C[C@H]1CC[C@]2(CCN(C(=O)Nc3ccc(CCC(=O)[O-])cc3)C2)C1 ZINC000833610279 605096073 /nfs/dbraw/zinc/09/60/73/605096073.db2.gz KHAWPSYGJLUSIE-LIRRHRJNSA-N -1 0 330.428 3.748 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CC(C)(C)CC(=O)[O-])C2CC2)o1 ZINC000190615012 605100078 /nfs/dbraw/zinc/10/00/78/605100078.db2.gz OZWWKTURCPAHQL-IUODEOHRSA-N -1 0 333.428 3.785 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cccc(-c2nc(C)co2)c1)C(=O)[O-] ZINC000424383600 605102464 /nfs/dbraw/zinc/10/24/64/605102464.db2.gz QAPPAGPMIJXDSI-UHFFFAOYSA-N -1 0 345.399 3.663 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)/C=C/c1ccc2[nH]ccc2c1 ZINC000833696961 605117654 /nfs/dbraw/zinc/11/76/54/605117654.db2.gz ZHPJICLSGXYMMQ-WEVVVXLNSA-N -1 0 334.375 3.538 20 0 EHADRM CC1(C)CC[C@@H]2C[C@@H](NC(=S)NCCCC(=O)[O-])c3cccc1c32 ZINC000833558530 605124058 /nfs/dbraw/zinc/12/40/58/605124058.db2.gz JLVLLZVSLOZCRP-IUODEOHRSA-N -1 0 346.496 3.615 20 0 EHADRM C[C@H]1CC[C@@H](NC(=O)N2CCC(CC(=O)[O-])CC2)c2ccccc21 ZINC000833604046 605127601 /nfs/dbraw/zinc/12/76/01/605127601.db2.gz PWCYOUMAVKGZEW-SUMWQHHRSA-N -1 0 330.428 3.521 20 0 EHADRM CC(C)C(C)(C)NC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000697966831 605128838 /nfs/dbraw/zinc/12/88/38/605128838.db2.gz DFSCKYZKBKQXON-UHFFFAOYSA-N -1 0 343.221 3.703 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)Nc2nc(-c3ccc(C(=O)[O-])cc3)cs2)C1 ZINC000833606787 605129884 /nfs/dbraw/zinc/12/98/84/605129884.db2.gz VXQHVHSQTWURCX-GXFFZTMASA-N -1 0 330.409 3.883 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)Nc2nc(-c3ccccc3)c(CC(=O)[O-])s2)C1 ZINC000833604913 605140820 /nfs/dbraw/zinc/14/08/20/605140820.db2.gz ICGILXJSIFZAJL-DGCLKSJQSA-N -1 0 344.436 3.812 20 0 EHADRM CCC(CC)n1nc(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1C ZINC000191034117 605149275 /nfs/dbraw/zinc/14/92/75/605149275.db2.gz JDWUKJJCLLJXOB-UHFFFAOYSA-N -1 0 329.400 3.812 20 0 EHADRM Cc1cccc(-c2nnc(S[C@@H](CC(C)(C)C)C(=O)[O-])n2C)c1 ZINC000833751950 605150897 /nfs/dbraw/zinc/15/08/97/605150897.db2.gz BAEVPDYBCJMMSB-ZDUSSCGKSA-N -1 0 333.457 3.772 20 0 EHADRM CC(C)(C)C[C@H](Sc1nnc(Cc2cccc(F)c2)o1)C(=O)[O-] ZINC000833428858 605154260 /nfs/dbraw/zinc/15/42/60/605154260.db2.gz AMIRCAYPRJJCBV-LBPRGKRZSA-N -1 0 338.404 3.781 20 0 EHADRM CC(C)(C)c1cnc(CSCCOc2ccccc2C(=O)[O-])o1 ZINC000833449381 605160532 /nfs/dbraw/zinc/16/05/32/605160532.db2.gz KDWUBCFXVAKOKA-UHFFFAOYSA-N -1 0 335.425 3.983 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N(c2ccccn2)C2CCCC2)ccc1F ZINC000832818228 605168428 /nfs/dbraw/zinc/16/84/28/605168428.db2.gz XGPXILPGZIJVFH-UHFFFAOYSA-N -1 0 343.358 3.900 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC000833598194 605170114 /nfs/dbraw/zinc/17/01/14/605170114.db2.gz PJFRZRCLQFMBMJ-ZBEGNZNMSA-N -1 0 343.358 3.534 20 0 EHADRM CC(C)c1cc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc(=O)[nH]1 ZINC000833509894 605173168 /nfs/dbraw/zinc/17/31/68/605173168.db2.gz WWPAXVAXFHGVNC-UHFFFAOYSA-N -1 0 334.759 3.515 20 0 EHADRM CC(C)C[C@@H](OC(=O)c1coc(-c2ccccc2Cl)n1)C(=O)[O-] ZINC000833480695 605187287 /nfs/dbraw/zinc/18/72/87/605187287.db2.gz QUXJVWCUJAXDOC-CYBMUJFWSA-N -1 0 337.759 3.651 20 0 EHADRM C[C@H](CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-])c1ccccc1 ZINC000833514186 605200388 /nfs/dbraw/zinc/20/03/88/605200388.db2.gz PVSJWGNOCOPBMK-CVEARBPZSA-N -1 0 325.408 3.682 20 0 EHADRM CCOCCC1(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])CCC1 ZINC000827394373 605213886 /nfs/dbraw/zinc/21/38/86/605213886.db2.gz QSKGISHODDDDLF-UHFFFAOYSA-N -1 0 346.427 3.653 20 0 EHADRM CCOCCC1(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)CCC1 ZINC000827393981 605215968 /nfs/dbraw/zinc/21/59/68/605215968.db2.gz JOGJQMNKOORPDU-CYBMUJFWSA-N -1 0 334.416 3.551 20 0 EHADRM C[C@H](c1cccnc1)N(C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833549835 605217038 /nfs/dbraw/zinc/21/70/38/605217038.db2.gz PIVWRJDCLXNLEJ-CYBMUJFWSA-N -1 0 337.379 3.628 20 0 EHADRM CC(C)c1ccc(CN(C)C(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC000325800811 605229882 /nfs/dbraw/zinc/22/98/82/605229882.db2.gz OANGFRIPKXRNIS-UHFFFAOYSA-N -1 0 325.408 3.709 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000431223142 605230928 /nfs/dbraw/zinc/23/09/28/605230928.db2.gz ZJJSMOIWJVPZPI-MRXNPFEDSA-N -1 0 339.435 3.703 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(C)C(=O)Cc1ccccc1C(=O)[O-] ZINC000322092003 605231289 /nfs/dbraw/zinc/23/12/89/605231289.db2.gz FGQYRTYNYLJCOQ-LBPRGKRZSA-N -1 0 331.799 3.800 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000833430344 605233154 /nfs/dbraw/zinc/23/31/54/605233154.db2.gz VYRSDENEIASHKE-ZETCQYMHSA-N -1 0 335.219 3.557 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000192955719 605247579 /nfs/dbraw/zinc/24/75/79/605247579.db2.gz KUAUVSHRPBJFSC-MAUKXSAKSA-N -1 0 337.419 3.860 20 0 EHADRM CC(C)Cn1cc(C(=O)Nc2ccc(C(=O)[O-])nc2)c2ccccc21 ZINC000833495107 605251746 /nfs/dbraw/zinc/25/17/46/605251746.db2.gz XKZIBSOMTOSRCG-UHFFFAOYSA-N -1 0 337.379 3.643 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H](Oc2ccccc2)c2ccccc2)cn1 ZINC000833782136 605254123 /nfs/dbraw/zinc/25/41/23/605254123.db2.gz AWQBCUJDQIASNI-SFHVURJKSA-N -1 0 348.358 3.539 20 0 EHADRM Cc1cc(F)cc(NC(=O)N2CCC([C@H]3CCCN3C(=O)[O-])CC2)c1 ZINC000830062617 605261407 /nfs/dbraw/zinc/26/14/07/605261407.db2.gz XDXJVBSOYXDBPH-MRXNPFEDSA-N -1 0 349.406 3.520 20 0 EHADRM C[C@H](Nc1ccc(NC(=O)[O-])c(F)c1)c1cn(-c2ccccc2)nn1 ZINC000833525834 605261614 /nfs/dbraw/zinc/26/16/14/605261614.db2.gz RPRFYMRZVVNPAK-NSHDSACASA-N -1 0 341.346 3.669 20 0 EHADRM C[C@H]1CSC(S[C@H](Cc2ccc(C(F)(F)F)cc2)C(=O)[O-])=N1 ZINC000833631976 605263193 /nfs/dbraw/zinc/26/31/93/605263193.db2.gz SBFZRIBZTBVURF-GZMMTYOYSA-N -1 0 349.399 3.926 20 0 EHADRM CC[C@@H](C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccc(OC)cc1 ZINC000685019568 605267318 /nfs/dbraw/zinc/26/73/18/605267318.db2.gz UGBQGSYDRCZQAG-DOTOQJQBSA-N -1 0 347.455 3.538 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833641601 605268469 /nfs/dbraw/zinc/26/84/69/605268469.db2.gz IEIYMIVESGKNIQ-CQSZACIVSA-N -1 0 349.475 3.516 20 0 EHADRM C[C@H](OC(=O)CCc1ccc2[nH]ccc2c1)c1ccc(C(=O)[O-])o1 ZINC000833528803 605275589 /nfs/dbraw/zinc/27/55/89/605275589.db2.gz KWERMOLIYRDNIE-NSHDSACASA-N -1 0 327.336 3.696 20 0 EHADRM CC(C)OCc1cccc(NC(=O)CN(C(=O)[O-])c2ccccc2)c1 ZINC000824404724 605279488 /nfs/dbraw/zinc/27/94/88/605279488.db2.gz LXEZPZDKGLNGDW-UHFFFAOYSA-N -1 0 342.395 3.735 20 0 EHADRM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833631297 605283232 /nfs/dbraw/zinc/28/32/32/605283232.db2.gz CKDPFKYHCXBZKQ-HWPZZCPQSA-N -1 0 343.358 3.971 20 0 EHADRM COCCC[C@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC000833725461 605290323 /nfs/dbraw/zinc/29/03/23/605290323.db2.gz YVCKMCITPLTXLP-NSHDSACASA-N -1 0 339.457 3.716 20 0 EHADRM C[C@@H](c1ccc(F)cc1F)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000652501990 605293186 /nfs/dbraw/zinc/29/31/86/605293186.db2.gz FLVRIEKOUANPMZ-LBPRGKRZSA-N -1 0 335.350 3.621 20 0 EHADRM CC(C)(C)c1nc(NC(=O)c2ccnc(C3CC3)c2)sc1C(=O)[O-] ZINC000833450645 605298582 /nfs/dbraw/zinc/29/85/82/605298582.db2.gz GYFGZWAVQXZORN-UHFFFAOYSA-N -1 0 345.424 3.664 20 0 EHADRM CC(C)CCO[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000431873676 605302651 /nfs/dbraw/zinc/30/26/51/605302651.db2.gz AGJJURVANNXEKP-KSSFIOAISA-N -1 0 343.423 3.533 20 0 EHADRM CC(C)n1ncc2cc(NCc3ccc(OCC(=O)[O-])cc3)ccc21 ZINC000833513588 605310824 /nfs/dbraw/zinc/31/08/24/605310824.db2.gz GVMYATIGRYMNIV-UHFFFAOYSA-N -1 0 339.395 3.693 20 0 EHADRM C[C@H](Cc1noc([C@@H](C)SCc2ccccc2)n1)N(C)C(=O)[O-] ZINC000825623126 605312712 /nfs/dbraw/zinc/31/27/12/605312712.db2.gz GVAYDCDEXYBJTD-VXGBXAGGSA-N -1 0 335.429 3.605 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2csc(-c3ccccn3)n2)c1 ZINC000834263926 605342173 /nfs/dbraw/zinc/34/21/73/605342173.db2.gz FVKZOINYKFHLCR-UHFFFAOYSA-N -1 0 340.364 3.547 20 0 EHADRM C[C@@H]1CCC[C@H]1C(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC000833607868 605343927 /nfs/dbraw/zinc/34/39/27/605343927.db2.gz HYUPFIADLPVHPL-IAQYHMDHSA-N -1 0 344.436 3.807 20 0 EHADRM CCc1ccc([C@@H]2CCCN2C(=O)CN(C(=O)[O-])c2ccccc2)o1 ZINC000827584371 605347871 /nfs/dbraw/zinc/34/78/71/605347871.db2.gz QOWZKAWWLAVJKB-INIZCTEOSA-N -1 0 342.395 3.690 20 0 EHADRM COc1ccc(C)cc1CN[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833730699 605356095 /nfs/dbraw/zinc/35/60/95/605356095.db2.gz MUOZVBALCMYVKU-INIZCTEOSA-N -1 0 337.778 3.712 20 0 EHADRM C[C@@H]1CCC[C@@H]1C(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000833608951 605366447 /nfs/dbraw/zinc/36/64/47/605366447.db2.gz OTDITJQHWHTVDN-JIMOISOXSA-N -1 0 330.302 3.968 20 0 EHADRM CC(C)CC[C@H]1CCCN1C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000824231387 605423348 /nfs/dbraw/zinc/42/33/48/605423348.db2.gz HXKPSQWQVWVQSW-IFFAKLHKSA-N -1 0 336.476 3.725 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@H]2CCCC(F)(F)C2)c(Cl)c1 ZINC000832833202 605441777 /nfs/dbraw/zinc/44/17/77/605441777.db2.gz ILKSMWNIXLEFRY-VIFPVBQESA-N -1 0 332.734 3.738 20 0 EHADRM Cc1ccc(C[C@@H](C)C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000192862004 605451786 /nfs/dbraw/zinc/45/17/86/605451786.db2.gz GJFALFASXNZWAR-APWZRJJASA-N -1 0 339.435 3.896 20 0 EHADRM O=C([O-])N1CC[C@@H](CCC(=O)N2CCC[C@@H](c3ccccc3)CC2)C1 ZINC000834075711 605454313 /nfs/dbraw/zinc/45/43/13/605454313.db2.gz LKPPVMHJHQGQRN-SJLPKXTDSA-N -1 0 344.455 3.563 20 0 EHADRM C/C(=C/CN[C@@H](c1ccccc1OC(F)F)C(F)(F)F)C(=O)[O-] ZINC000833382035 605474285 /nfs/dbraw/zinc/47/42/85/605474285.db2.gz FSZKFWZUPSQJHF-JYKYSHPRSA-N -1 0 339.260 3.512 20 0 EHADRM CC(C)(C)OC(=O)c1cccc(CNc2cccc(CC(=O)[O-])c2)c1 ZINC000417580889 605544287 /nfs/dbraw/zinc/54/42/87/605544287.db2.gz DZQCAFZQOXUPME-UHFFFAOYSA-N -1 0 341.407 3.881 20 0 EHADRM Cc1cc(C(=O)N(CCc2ccccc2)C2CC2)ccc1NC(=O)[O-] ZINC000829919941 605597142 /nfs/dbraw/zinc/59/71/42/605597142.db2.gz UHCGGENBEBQJHM-UHFFFAOYSA-N -1 0 338.407 3.932 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)CC(C)(C)C1 ZINC000833592419 605617689 /nfs/dbraw/zinc/61/76/89/605617689.db2.gz LATIUMWQNJZQDL-GHMZBOCLSA-N -1 0 336.457 3.799 20 0 EHADRM CC(=O)Nc1cc(NC(=O)c2ccc(NC(=O)[O-])c(C)c2)ccc1C ZINC000823592317 605621268 /nfs/dbraw/zinc/62/12/68/605621268.db2.gz PSQZRKLXOOWQBX-UHFFFAOYSA-N -1 0 341.367 3.604 20 0 EHADRM COC(=O)Nc1cccc(NC(=O)c2ccc(NC(=O)[O-])c(C)c2)c1 ZINC000828723672 605627575 /nfs/dbraw/zinc/62/75/75/605627575.db2.gz WBHUTFFTRGMHSG-UHFFFAOYSA-N -1 0 343.339 3.516 20 0 EHADRM CC(C)(C)CCCCNC(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC000833429225 605628020 /nfs/dbraw/zinc/62/80/20/605628020.db2.gz GGKRFBIMXFNOJN-UHFFFAOYSA-N -1 0 347.459 3.673 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCC[C@H]2C2CCCCC2)c(O)c1 ZINC000834254176 605643372 /nfs/dbraw/zinc/64/33/72/605643372.db2.gz AWACTGDRTSKJRB-HNNXBMFYSA-N -1 0 332.400 3.667 20 0 EHADRM Cc1nc(C(C)C)sc1[C@H](C)OC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000833912889 605667534 /nfs/dbraw/zinc/66/75/34/605667534.db2.gz QYUPQCITKNHZSL-QJPTWQEYSA-N -1 0 340.445 3.615 20 0 EHADRM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000833606864 605675672 /nfs/dbraw/zinc/67/56/72/605675672.db2.gz WYNPDZZMMNEPBB-MWLCHTKSSA-N -1 0 330.306 3.580 20 0 EHADRM Cc1cc(C(=O)N2C[C@H](C)Oc3ccccc32)ccc1NC(=O)[O-] ZINC000829918746 605687958 /nfs/dbraw/zinc/68/79/58/605687958.db2.gz BNTLPDREUUUTDH-LBPRGKRZSA-N -1 0 326.352 3.513 20 0 EHADRM Cc1cc(C(=O)N2C[C@@H](C)Oc3ccccc32)ccc1NC(=O)[O-] ZINC000829918745 605688112 /nfs/dbraw/zinc/68/81/12/605688112.db2.gz BNTLPDREUUUTDH-GFCCVEGCSA-N -1 0 326.352 3.513 20 0 EHADRM CN(C)c1ccccc1N(C)C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000828072999 605689978 /nfs/dbraw/zinc/68/99/78/605689978.db2.gz DRPCZHHNJZAHOM-UHFFFAOYSA-N -1 0 347.802 3.773 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000324741483 605706161 /nfs/dbraw/zinc/70/61/61/605706161.db2.gz NNJAMIFLBKPESF-UHFFFAOYSA-N -1 0 332.444 3.897 20 0 EHADRM O=C([O-])Nc1ccc(CNc2cccc(Oc3ccccn3)c2)cn1 ZINC000834260709 605728404 /nfs/dbraw/zinc/72/84/04/605728404.db2.gz XFURBPGBWANIFB-UHFFFAOYSA-N -1 0 336.351 3.971 20 0 EHADRM Cc1cc(C(=O)N2C[C@@H](C(F)(F)F)CC[C@@H]2C)ccc1NC(=O)[O-] ZINC000833899438 605769899 /nfs/dbraw/zinc/76/98/99/605769899.db2.gz RHDMIUFCXCWHJB-JQWIXIFHSA-N -1 0 344.333 3.888 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)Cc2cccc3ccccc32)c(F)c1 ZINC000833776855 605796715 /nfs/dbraw/zinc/79/67/15/605796715.db2.gz UNBRJBAOKPRBLI-UHFFFAOYSA-N -1 0 338.334 3.754 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)C2(c3cccc(Cl)c3)CC2)c(F)c1 ZINC000833776084 605800382 /nfs/dbraw/zinc/80/03/82/605800382.db2.gz UKMPPSQTJSQXAY-UHFFFAOYSA-N -1 0 348.757 3.743 20 0 EHADRM O=C([O-])N[C@@H]1C[C@@H](NCc2coc(-c3ccccc3)n2)c2ccccc21 ZINC000834159246 605800651 /nfs/dbraw/zinc/80/06/51/605800651.db2.gz RMWFXCCTQREUFJ-QZTJIDSGSA-N -1 0 349.390 3.885 20 0 EHADRM O=C([O-])N[C@@H]1C[C@H](NCc2coc(-c3ccccc3)n2)c2ccccc21 ZINC000834159250 605800786 /nfs/dbraw/zinc/80/07/86/605800786.db2.gz RMWFXCCTQREUFJ-ZWKOTPCHSA-N -1 0 349.390 3.885 20 0 EHADRM O=C([O-])c1ccc(F)c(COC(=O)c2cc(Cl)nc(Cl)c2)c1 ZINC000833781209 605816841 /nfs/dbraw/zinc/81/68/41/605816841.db2.gz VPEGSNDOMIRVFE-UHFFFAOYSA-N -1 0 344.125 3.583 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)Nc2c(F)cccc2NC2CC2)c1 ZINC000834266583 605830392 /nfs/dbraw/zinc/83/03/92/605830392.db2.gz PLDOLQAAGZGUJG-UHFFFAOYSA-N -1 0 343.358 3.671 20 0 EHADRM Cc1cc(C(=O)OCc2nc3cc(F)ccc3o2)ccc1NC(=O)[O-] ZINC000829976922 605835270 /nfs/dbraw/zinc/83/52/70/605835270.db2.gz QYQIEQQOWBIBBU-UHFFFAOYSA-N -1 0 344.298 3.722 20 0 EHADRM O=C([O-])c1ccc(F)c(CN[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000833781159 605842020 /nfs/dbraw/zinc/84/20/20/605842020.db2.gz SYACKVQFCGQKGT-AWEZNQCLSA-N -1 0 327.277 3.917 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000825831181 605865013 /nfs/dbraw/zinc/86/50/13/605865013.db2.gz KINUAMWWTHBAAY-KDOFPFPSSA-N -1 0 338.407 3.614 20 0 EHADRM CC(C)C[C@H](NC(=O)c1cc(C(=O)[O-])no1)c1ccc(Cl)cc1 ZINC000833485104 605874251 /nfs/dbraw/zinc/87/42/51/605874251.db2.gz YUYSCMMINKVEIU-LBPRGKRZSA-N -1 0 336.775 3.543 20 0 EHADRM CCCN(C(=O)C/C=C\c1cccc(F)c1)C1CCN(C(=O)[O-])CC1 ZINC000826858823 605882316 /nfs/dbraw/zinc/88/23/16/605882316.db2.gz QFHRVBYORHRZPI-XQRVVYSFSA-N -1 0 348.418 3.610 20 0 EHADRM CC(C)[C@@H](NC(=O)CCCCNC(=O)[O-])c1ccc(Cl)cc1 ZINC000833792478 605885648 /nfs/dbraw/zinc/88/56/48/605885648.db2.gz HUHPBQIADHLMFI-OAHLLOKOSA-N -1 0 326.824 3.591 20 0 EHADRM Cc1cc(C(=O)N2CCC(c3nccs3)CC2)ccc1NC(=O)[O-] ZINC000829923785 605898557 /nfs/dbraw/zinc/89/85/57/605898557.db2.gz BHQFGZICKJBNMB-UHFFFAOYSA-N -1 0 345.424 3.561 20 0 EHADRM O=C([O-])NC1CCC(N[C@H](CCc2ccccc2)C(F)(F)F)CC1 ZINC000834166767 605984988 /nfs/dbraw/zinc/98/49/88/605984988.db2.gz ZFQDCTNWMNDUQZ-YMAMQOFZSA-N -1 0 344.377 3.719 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000833906766 606005649 /nfs/dbraw/zinc/00/56/49/606005649.db2.gz ZZUNIBFYFSIMDP-UHFFFAOYSA-N -1 0 337.335 3.591 20 0 EHADRM O=C([O-])N[C@@H](CC(F)F)c1nc(-c2cccc3ccccc32)no1 ZINC000834136206 606009362 /nfs/dbraw/zinc/00/93/62/606009362.db2.gz CFFHAKKAGSUFOX-LBPRGKRZSA-N -1 0 333.294 3.854 20 0 EHADRM O=C([O-])Nc1cccc(CSCC(=O)Nc2ccccc2F)c1 ZINC000834269730 606010809 /nfs/dbraw/zinc/01/08/09/606010809.db2.gz OOLXIPLFYUAEHJ-UHFFFAOYSA-N -1 0 334.372 3.788 20 0 EHADRM O=C(CCC1CCN(C(=O)[O-])CC1)Nc1ccccc1OCC1CC1 ZINC000833991739 606055722 /nfs/dbraw/zinc/05/57/22/606055722.db2.gz UTRJLHBVIMNMTI-UHFFFAOYSA-N -1 0 346.427 3.584 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)Oc1ccccc1OC(F)F ZINC000834276188 606060138 /nfs/dbraw/zinc/06/01/38/606060138.db2.gz ZXGIUQAQCHFETN-UHFFFAOYSA-N -1 0 337.278 3.526 20 0 EHADRM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000834162538 606070789 /nfs/dbraw/zinc/07/07/89/606070789.db2.gz ZDDQJTYQYRFXBK-PLSNTINESA-N -1 0 348.487 3.773 20 0 EHADRM O=C([O-])C1(NC(=O)/C=C/c2ccc(Cl)s2)CCCCCC1 ZINC000037457178 939030996 /nfs/dbraw/zinc/03/09/96/939030996.db2.gz OAKCAKBNVDVIBZ-SOFGYWHQSA-N -1 0 327.833 3.709 20 0 EHADRM O=C([O-])C1(NC(=O)CCSc2ccc(Cl)cc2)CCCCC1 ZINC000060796904 939031469 /nfs/dbraw/zinc/03/14/69/939031469.db2.gz QXLQTVNJJVTQCU-UHFFFAOYSA-N -1 0 341.860 3.726 20 0 EHADRM Cc1ccc(CC(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)s1 ZINC000191479900 939037520 /nfs/dbraw/zinc/03/75/20/939037520.db2.gz VDFKPLUNUMWEQA-SFHVURJKSA-N -1 0 339.416 3.694 20 0 EHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000761595464 939067675 /nfs/dbraw/zinc/06/76/75/939067675.db2.gz RWSMJWYUEZCNAN-JXOMPUQVSA-N -1 0 343.810 3.860 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N[C@](C)(C(=O)[O-])c3ccccc3)cc2c1C ZINC000766963982 939084783 /nfs/dbraw/zinc/08/47/83/939084783.db2.gz XTZMERYZZLGXRD-FQEVSTJZSA-N -1 0 336.391 3.515 20 0 EHADRM Cc1ccc(CCCC(=O)N[C@H](C(=O)[O-])c2ccc(F)c(C)c2)s1 ZINC000263085060 939098684 /nfs/dbraw/zinc/09/86/84/939098684.db2.gz PZXSSSDPUHWEBU-KRWDZBQOSA-N -1 0 349.427 3.769 20 0 EHADRM Cc1cc([C@@H](NC(=O)C[C@@H](C)c2ccccc2)C(=O)[O-])ccc1F ZINC000263106838 939100844 /nfs/dbraw/zinc/10/08/44/939100844.db2.gz RLXBVJJERJSGOH-KZULUSFZSA-N -1 0 329.371 3.570 20 0 EHADRM Cc1cc([C@H](NC(=O)C[C@H](C)c2ccccc2)C(=O)[O-])ccc1F ZINC000263106841 939100939 /nfs/dbraw/zinc/10/09/39/939100939.db2.gz RLXBVJJERJSGOH-SGTLLEGYSA-N -1 0 329.371 3.570 20 0 EHADRM CCC[C@H](NC(=O)N[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000780369956 939111481 /nfs/dbraw/zinc/11/14/81/939111481.db2.gz LPSGVMLWFCSOEP-DLBZAZTESA-N -1 0 326.396 3.653 20 0 EHADRM CCCCOc1ccc(NC(=O)N[C@@](C)(C(=O)[O-])C2CC2)c(C)c1 ZINC000780459495 939124594 /nfs/dbraw/zinc/12/45/94/939124594.db2.gz UCCJNFAUNQJCSY-GOSISDBHSA-N -1 0 334.416 3.549 20 0 EHADRM C[C@@](NC(=O)Nc1ccc(Oc2ccccc2)cc1)(C(=O)[O-])C1CC1 ZINC000326593828 939126859 /nfs/dbraw/zinc/12/68/59/939126859.db2.gz DPCAHOVEVKFLNE-IBGZPJMESA-N -1 0 340.379 3.854 20 0 EHADRM C[C@@](NC(=O)Nc1cccc2ccccc21)(C(=O)[O-])c1ccccc1 ZINC000327449749 939127477 /nfs/dbraw/zinc/12/74/77/939127477.db2.gz WUGSPNVLVRXOSV-FQEVSTJZSA-N -1 0 334.375 3.961 20 0 EHADRM Cc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)c(C)n1C1CC1 ZINC000345766462 939128426 /nfs/dbraw/zinc/12/84/26/939128426.db2.gz BCSSCBRYKSCPEE-MRXNPFEDSA-N -1 0 346.814 3.649 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CCC1CCCC1)c1ccc(OC(F)F)cc1 ZINC000345975605 939128468 /nfs/dbraw/zinc/12/84/68/939128468.db2.gz AFKHWZQAPWHYRS-HNNXBMFYSA-N -1 0 341.354 3.500 20 0 EHADRM CC(C)c1ccc(-c2nc(C(=O)N[C@H](C(=O)[O-])C3CC3)cs2)cc1 ZINC000347398722 939129209 /nfs/dbraw/zinc/12/92/09/939129209.db2.gz VPYFOCPDNKGSEQ-HNNXBMFYSA-N -1 0 344.436 3.527 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)CCC1 ZINC000404253337 939140181 /nfs/dbraw/zinc/14/01/81/939140181.db2.gz NHTLRBSKUOLUQT-UHFFFAOYSA-N -1 0 337.590 3.776 20 0 EHADRM Cc1cccc(NC(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)c1C ZINC000788319057 939149390 /nfs/dbraw/zinc/14/93/90/939149390.db2.gz SXXMQVVXUIKBRD-HNNXBMFYSA-N -1 0 334.322 3.529 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CC=CCC1)c1ccc(Cl)cc1Cl ZINC000449005254 939207180 /nfs/dbraw/zinc/20/71/80/939207180.db2.gz UMDMCWDLNPBVQT-RNCFNFMXSA-N -1 0 328.195 3.592 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC000450525733 939207980 /nfs/dbraw/zinc/20/79/80/939207980.db2.gz SGSMWHXLZRYIIK-IINYFYTJSA-N -1 0 337.828 3.522 20 0 EHADRM Cc1cc(C)cc([C@@H](C)NC(=O)N[C@H](C(=O)[O-])c2cccs2)c1 ZINC000515118169 939239958 /nfs/dbraw/zinc/23/99/58/939239958.db2.gz CTWCCLSDNMSWGP-DOMZBBRYSA-N -1 0 332.425 3.551 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)N[C@H](C(=O)[O-])c2cccs2)c1C ZINC000516704768 939245012 /nfs/dbraw/zinc/24/50/12/939245012.db2.gz CHYXWKWEFMMCFM-DOMZBBRYSA-N -1 0 332.425 3.551 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1cccc(C(F)F)c1)c1ccsc1 ZINC000516617579 939245048 /nfs/dbraw/zinc/24/50/48/939245048.db2.gz NUDPLEDUCUXBFG-NSHDSACASA-N -1 0 326.324 3.633 20 0 EHADRM Cc1nc2ccc(NC(=O)N[C@@H](C(=O)[O-])c3cccs3)cc2s1 ZINC000517485698 939248546 /nfs/dbraw/zinc/24/85/46/939248546.db2.gz OPMKRJDRBNTDLU-CYBMUJFWSA-N -1 0 347.421 3.614 20 0 EHADRM O=C([O-])C1(NC(=O)N[C@@H]2CCSc3ccccc32)CCCCCC1 ZINC000519281467 939251392 /nfs/dbraw/zinc/25/13/92/939251392.db2.gz PWOQKZDFBVBZOO-CQSZACIVSA-N -1 0 348.468 3.700 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1C ZINC000539567554 939280768 /nfs/dbraw/zinc/28/07/68/939280768.db2.gz JFBPAGRTDFJLTN-OAHLLOKOSA-N -1 0 335.762 3.652 20 0 EHADRM Cc1ccc(CCC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC000540666895 939289010 /nfs/dbraw/zinc/28/90/10/939289010.db2.gz GVACPVUNAUUYLJ-KRWDZBQOSA-N -1 0 349.789 3.662 20 0 EHADRM CCCCCOc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000560217925 939318062 /nfs/dbraw/zinc/31/80/62/939318062.db2.gz OISFLSRDFFOBTF-SFHVURJKSA-N -1 0 341.407 3.811 20 0 EHADRM CO[C@@H]1CCC[C@@H]([C@@H](NC(=O)Nc2ccccc2C(C)C)C(=O)[O-])C1 ZINC000565042768 939346680 /nfs/dbraw/zinc/34/66/80/939346680.db2.gz AUIIMRKCRHOUJM-CKEIUWERSA-N -1 0 348.443 3.590 20 0 EHADRM CC[C@](NC(=O)Nc1cccc(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC000566774910 939357205 /nfs/dbraw/zinc/35/72/05/939357205.db2.gz RGLDWHCGWWWZOW-QGZVFWFLSA-N -1 0 332.787 3.852 20 0 EHADRM COc1ccc([C@@H](NC(=O)Nc2ccc(C)c(Cl)c2)C(=O)[O-])cc1 ZINC000567549039 939362623 /nfs/dbraw/zinc/36/26/23/939362623.db2.gz UQABZUGOOMTHIY-OAHLLOKOSA-N -1 0 348.786 3.604 20 0 EHADRM Cc1cccc(OCCCCC(=O)N[C@@H](C(=O)[O-])c2ccsc2)c1 ZINC000572380062 939398759 /nfs/dbraw/zinc/39/87/59/939398759.db2.gz YBWZEACZVYORBK-QGZVFWFLSA-N -1 0 347.436 3.548 20 0 EHADRM Cc1cc(C)cc([C@H](NC(=O)Nc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC000573062155 939404424 /nfs/dbraw/zinc/40/44/24/939404424.db2.gz GECXXMUYSJCLNW-HNNXBMFYSA-N -1 0 332.787 3.904 20 0 EHADRM CCSc1cccc(NC(=O)N[C@H](C(=O)[O-])C2CCCCC2)c1 ZINC000577766369 939748986 /nfs/dbraw/zinc/74/89/86/939748986.db2.gz FDQVMOROMTUALP-HNNXBMFYSA-N -1 0 336.457 3.954 20 0 EHADRM CC[C@@](NC(=O)Nc1ccc(SC)cc1)(C(=O)[O-])c1ccccc1 ZINC000580930479 939774863 /nfs/dbraw/zinc/77/48/63/939774863.db2.gz VNYVAAFJLGXZNV-SFHVURJKSA-N -1 0 344.436 3.920 20 0 EHADRM CCc1ccc(NC(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1 ZINC000581055886 939775715 /nfs/dbraw/zinc/77/57/15/939775715.db2.gz OSGZLQRNUTXDPN-KRWDZBQOSA-N -1 0 326.396 3.813 20 0 EHADRM CCC[C@@H](C(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1)c1ccccn1 ZINC000630247928 939820377 /nfs/dbraw/zinc/82/03/77/939820377.db2.gz LQOARRGHGFCEKC-KUHUBIRLSA-N -1 0 332.444 3.505 20 0 EHADRM CC[C@@H](C)c1cccc(NC(=O)NC2(C(=O)[O-])CCSCC2)c1 ZINC000630548415 939824330 /nfs/dbraw/zinc/82/43/30/939824330.db2.gz BERWEFGRSYODBT-GFCCVEGCSA-N -1 0 336.457 3.672 20 0 EHADRM O=C([O-])C1(NC(=O)c2cc(Cl)cc3ccccc32)CCSCC1 ZINC000659137189 939847598 /nfs/dbraw/zinc/84/75/98/939847598.db2.gz ILDWIPJXXJOYHX-UHFFFAOYSA-N -1 0 349.839 3.573 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)[C@H](C(=O)[O-])C3CCCC3)cc2)cs1 ZINC000663094514 939854290 /nfs/dbraw/zinc/85/42/90/939854290.db2.gz NZUSEORAYBDJAX-MRXNPFEDSA-N -1 0 344.436 3.948 20 0 EHADRM Cc1coc(-c2cc(NC(=O)[C@H](C(=O)[O-])C3CCCC3)ccc2C)n1 ZINC000663116468 939856811 /nfs/dbraw/zinc/85/68/11/939856811.db2.gz IDGYQDXFMNUZQR-MRXNPFEDSA-N -1 0 342.395 3.788 20 0 EHADRM C[C@@H](C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC000678976908 939868189 /nfs/dbraw/zinc/86/81/89/939868189.db2.gz MEDUKKNHNRWMDD-KZULUSFZSA-N -1 0 331.799 3.560 20 0 EHADRM C[C@H](C(=O)N[C@](C)(C(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC000678976909 939868201 /nfs/dbraw/zinc/86/82/01/939868201.db2.gz MEDUKKNHNRWMDD-SGTLLEGYSA-N -1 0 331.799 3.560 20 0 EHADRM O=C([O-])[C@@]1(NC(=O)c2ccc3sccc3c2)CCc2ccccc21 ZINC000678979317 939868474 /nfs/dbraw/zinc/86/84/74/939868474.db2.gz SASAGWXCJSURPF-LJQANCHMSA-N -1 0 337.400 3.557 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000683306522 939870221 /nfs/dbraw/zinc/87/02/21/939870221.db2.gz DINZZBYIJJVNQP-KKSFZXQISA-N -1 0 339.435 3.762 20 0 EHADRM Cc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)c1C ZINC000683921097 939871147 /nfs/dbraw/zinc/87/11/47/939871147.db2.gz NJGFGKYJOWYELQ-MRXNPFEDSA-N -1 0 330.359 3.698 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC000683920976 939871215 /nfs/dbraw/zinc/87/12/15/939871215.db2.gz KSYBJQSYXHXMRJ-CQSZACIVSA-N -1 0 336.750 3.735 20 0 EHADRM C[C@H](c1ccc(C(=O)[O-])o1)N1CCN(c2ccccc2Cl)CC1 ZINC000321443940 970772207 /nfs/dbraw/zinc/77/22/07/970772207.db2.gz RLLIDLHHJJIURJ-GFCCVEGCSA-N -1 0 334.803 3.514 20 0 EHADRM COc1ccc(Cl)c(NC(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])c1 ZINC000321489889 970776597 /nfs/dbraw/zinc/77/65/97/970776597.db2.gz HPFZZHJTQJRCFT-YPMHNXCESA-N -1 0 340.807 3.504 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)c2cc(F)c(F)cc2Cl)cc1F ZINC000321852449 970816549 /nfs/dbraw/zinc/81/65/49/970816549.db2.gz KMAZPXQIXGAXGI-UHFFFAOYSA-N -1 0 347.651 3.847 20 0 EHADRM Cc1ccc(NC(=O)N(C)[C@H](C)Cc2cccs2)cc1C(=O)[O-] ZINC000321882773 970820337 /nfs/dbraw/zinc/82/03/37/970820337.db2.gz CFGWSVFKYWBHEL-GFCCVEGCSA-N -1 0 332.425 3.850 20 0 EHADRM C[C@H]1CCC[C@@H](N(C)C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C1 ZINC000322037013 970839122 /nfs/dbraw/zinc/83/91/22/970839122.db2.gz FYRGAVGRZWPIFH-GXSJLCMTSA-N -1 0 326.343 3.705 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000322127025 970850108 /nfs/dbraw/zinc/85/01/08/970850108.db2.gz OKYCYQULIAPKOK-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(c1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000322584322 970906742 /nfs/dbraw/zinc/90/67/42/970906742.db2.gz SKRAIZRITPFJNM-UHFFFAOYSA-N -1 0 332.743 3.509 20 0 EHADRM Cc1c(C(=O)N[C@@H](C(=O)[O-])c2cccs2)sc2cccc(F)c12 ZINC000322911689 970944539 /nfs/dbraw/zinc/94/45/39/970944539.db2.gz JOIOWIJPWYDZLC-CYBMUJFWSA-N -1 0 349.408 3.966 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)Nc2cccc(CC(F)(F)F)c2)o1 ZINC001601238520 970964793 /nfs/dbraw/zinc/96/47/93/970964793.db2.gz OOHKFZPWTPWTSP-ALCCZGGFSA-N -1 0 339.269 3.735 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NC[C@H]2CSc3ccccc32)c(F)c1 ZINC001601488991 971006777 /nfs/dbraw/zinc/00/67/77/971006777.db2.gz AOKCTUSKGLLFKL-NSHDSACASA-N -1 0 346.383 3.535 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)c1cccc(-n2cccc2)c1 ZINC000323522424 971012396 /nfs/dbraw/zinc/01/23/96/971012396.db2.gz IDKPLCMEGRVVBK-UHFFFAOYSA-N -1 0 326.377 3.798 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)Cc2cccc(Cl)c2F)c2ccccc21 ZINC001601821296 971054524 /nfs/dbraw/zinc/05/45/24/971054524.db2.gz KKLMZZDATKCGGB-CYBMUJFWSA-N -1 0 347.773 3.627 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)c2cc(=O)[nH]c3ccccc32)c1 ZINC000324176838 971093170 /nfs/dbraw/zinc/09/31/70/971093170.db2.gz PGCMVVDBSCREID-UHFFFAOYSA-N -1 0 342.738 3.544 20 0 EHADRM CSCc1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC000324248532 971101489 /nfs/dbraw/zinc/10/14/89/971101489.db2.gz JXWKOVAVUMSFNW-UHFFFAOYSA-N -1 0 337.347 3.778 20 0 EHADRM CO[C@@H](C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)c1ccccc1 ZINC000324353788 971112052 /nfs/dbraw/zinc/11/20/52/971112052.db2.gz PMOALXXJCAILPJ-OAHLLOKOSA-N -1 0 345.420 3.651 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)NC[C@H]2CCC[C@H]2C2CC2)c1 ZINC001602043064 971127487 /nfs/dbraw/zinc/12/74/87/971127487.db2.gz NHRXPMHDEPSLOU-WBVHZDCISA-N -1 0 330.428 3.652 20 0 EHADRM Cc1cccc(C2(C(=O)Nc3cc(C(=O)[O-])ccc3F)CCC2)c1 ZINC000324584534 971136237 /nfs/dbraw/zinc/13/62/37/971136237.db2.gz BTPOCKFWZGLIHA-UHFFFAOYSA-N -1 0 327.355 3.893 20 0 EHADRM C/C(=C\C(=O)[O-])COc1ccc([N+](=O)[O-])cc1Cc1ccccc1 ZINC000324667524 971145338 /nfs/dbraw/zinc/14/53/38/971145338.db2.gz KDXIGNANYJHTET-UKTHLTGXSA-N -1 0 327.336 3.595 20 0 EHADRM COc1cc(Cl)ccc1C(=O)N(CCC(=O)[O-])c1ccccc1C ZINC000324742291 971153105 /nfs/dbraw/zinc/15/31/05/971153105.db2.gz MWTJHRJVWSTSRM-UHFFFAOYSA-N -1 0 347.798 3.779 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N[C@H](C2CC2)C2CCC2)cc1 ZINC000324746051 971154044 /nfs/dbraw/zinc/15/40/44/971154044.db2.gz NIPXGYMJDGSZRF-INIZCTEOSA-N -1 0 330.428 3.749 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000325235905 971195894 /nfs/dbraw/zinc/19/58/94/971195894.db2.gz GHKILKAFIODEMG-LLVKDONJSA-N -1 0 348.321 3.596 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)NC1CCCCCCC1)CC2 ZINC000325247093 971197320 /nfs/dbraw/zinc/19/73/20/971197320.db2.gz JMGCBGSNFDTYTI-UHFFFAOYSA-N -1 0 330.428 3.565 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1 ZINC000325253559 971198248 /nfs/dbraw/zinc/19/82/48/971198248.db2.gz LNEZHKLNGGSTJC-YESZJQIVSA-N -1 0 329.440 3.650 20 0 EHADRM O=C([O-])CC1(CNC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCCCC1 ZINC000325266076 971199580 /nfs/dbraw/zinc/19/95/80/971199580.db2.gz PEZUZTVQIBOOCV-CHWSQXEVSA-N -1 0 349.393 3.897 20 0 EHADRM Cc1ccc(NC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)cc1Cl ZINC000325358689 971208391 /nfs/dbraw/zinc/20/83/91/971208391.db2.gz MIHQIJMVQIWJRK-UHFFFAOYSA-N -1 0 344.798 3.937 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)c1 ZINC000325376257 971210284 /nfs/dbraw/zinc/21/02/84/971210284.db2.gz RAVMAWIMTYVEJG-WFASDCNBSA-N -1 0 336.432 3.875 20 0 EHADRM CC(C)(CNC(=O)Nc1cccc(CCC(=O)[O-])c1)c1cccs1 ZINC000325590847 971229286 /nfs/dbraw/zinc/22/92/86/971229286.db2.gz BXFMNXPATOKOLL-UHFFFAOYSA-N -1 0 346.452 3.865 20 0 EHADRM CC(C)(CCc1ccccc1)NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000325643523 971232880 /nfs/dbraw/zinc/23/28/80/971232880.db2.gz FACDKTXODXMNLJ-UHFFFAOYSA-N -1 0 331.456 3.939 20 0 EHADRM CC(C)CCC[C@H](C)NC(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000325806402 971245208 /nfs/dbraw/zinc/24/52/08/971245208.db2.gz OXWZJYIVEBXMGH-AWEZNQCLSA-N -1 0 332.444 3.667 20 0 EHADRM O=C([O-])[C@@H]1CCN(Cc2cc(-c3cccs3)on2)c2ccccc21 ZINC000325871853 971250766 /nfs/dbraw/zinc/25/07/66/971250766.db2.gz LKTZAKDGDSORQM-CQSZACIVSA-N -1 0 340.404 3.982 20 0 EHADRM Cc1ccc(CN(C)C(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC000325893226 971253336 /nfs/dbraw/zinc/25/33/36/971253336.db2.gz TZIRADZVZKNLPL-UHFFFAOYSA-N -1 0 326.396 3.676 20 0 EHADRM O=C([O-])c1cnc(Oc2ccc(F)c(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000325916433 971254101 /nfs/dbraw/zinc/25/41/01/971254101.db2.gz OIKHAIFFISTCSA-UHFFFAOYSA-N -1 0 346.192 3.638 20 0 EHADRM Cc1[nH]c2ccccc2c1CC(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000326363079 971286419 /nfs/dbraw/zinc/28/64/19/971286419.db2.gz CUPPGPGCSVCPLS-UHFFFAOYSA-N -1 0 342.439 3.560 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)c1cccc2ccccc21 ZINC000326391107 971288452 /nfs/dbraw/zinc/28/84/52/971288452.db2.gz KLFHEJCXARUQJU-SFHVURJKSA-N -1 0 325.408 3.993 20 0 EHADRM CC(C)(NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000326461217 971296259 /nfs/dbraw/zinc/29/62/59/971296259.db2.gz BCMBJISKPJTNME-UHFFFAOYSA-N -1 0 334.322 3.720 20 0 EHADRM CCO[C@@H](c1noc([C@H]2CCC[C@H](C(=O)[O-])C2)n1)c1ccccc1 ZINC000326507085 971299015 /nfs/dbraw/zinc/29/90/15/971299015.db2.gz JPJTWYQUNVERIS-SOUVJXGZSA-N -1 0 330.384 3.554 20 0 EHADRM C[C@@H](CCc1ccccc1)NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000326576747 971304825 /nfs/dbraw/zinc/30/48/25/971304825.db2.gz ACBQWNCGRUMUKV-NSHDSACASA-N -1 0 348.349 3.806 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)c2ccccc2C(F)(F)F)c2ccccc21 ZINC000327045736 971360105 /nfs/dbraw/zinc/36/01/05/971360105.db2.gz OGNSCNIYSYQMNB-LBPRGKRZSA-N -1 0 349.308 3.924 20 0 EHADRM CCCCC1CCC(C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)CC1 ZINC000327065934 971362569 /nfs/dbraw/zinc/36/25/69/971362569.db2.gz BHZVJXUIYKOXGD-JTTJXQCZSA-N -1 0 345.439 3.862 20 0 EHADRM COc1ccc(NC(=O)COc2ccccc2C(C)C)c(C(=O)[O-])c1 ZINC000327214985 971377094 /nfs/dbraw/zinc/37/70/94/971377094.db2.gz QBOMNDNKLOMROB-UHFFFAOYSA-N -1 0 343.379 3.534 20 0 EHADRM Cc1ccccc1-n1cnnc1SCc1ccc(C(=O)[O-])cc1 ZINC000013237111 948777487 /nfs/dbraw/zinc/77/74/87/948777487.db2.gz KYNMPDZIJYHJIO-UHFFFAOYSA-N -1 0 325.393 3.566 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC001589561475 948816019 /nfs/dbraw/zinc/81/60/19/948816019.db2.gz WEIMAEVDODGAAP-ZWKOTPCHSA-N -1 0 348.487 3.704 20 0 EHADRM COc1ccc(Oc2ccc(Cl)cc2NC(=O)CCC(=O)[O-])cc1 ZINC000338187900 971516681 /nfs/dbraw/zinc/51/66/81/971516681.db2.gz CXVUQUGHRGIJQT-UHFFFAOYSA-N -1 0 349.770 3.944 20 0 EHADRM COc1ccc([C@@H](NC(=O)CC2(CC(=O)[O-])CCCC2)C(C)C)cc1 ZINC000342477582 971517633 /nfs/dbraw/zinc/51/76/33/971517633.db2.gz YMHIOXUZZXQQOQ-IBGZPJMESA-N -1 0 347.455 3.934 20 0 EHADRM Cc1ccc(NCc2nc3ccc(Cl)cc3n2C)cc1C(=O)[O-] ZINC000340671127 971517815 /nfs/dbraw/zinc/51/78/15/971517815.db2.gz JAGFGWRIDHLXDX-UHFFFAOYSA-N -1 0 329.787 3.845 20 0 EHADRM CC[C@H](OC(=O)Cc1ccccc1C(=O)[O-])c1ccc(OC)cc1 ZINC001589577070 948966597 /nfs/dbraw/zinc/96/65/97/948966597.db2.gz FXYGLDDIFUKUQL-KRWDZBQOSA-N -1 0 328.364 3.630 20 0 EHADRM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCCCC(=O)[O-] ZINC000064873458 948970786 /nfs/dbraw/zinc/97/07/86/948970786.db2.gz UHKURZHXJKRKML-CQSZACIVSA-N -1 0 335.444 3.513 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1ccc(Br)o1 ZINC000349463597 971527516 /nfs/dbraw/zinc/52/75/16/971527516.db2.gz KDRQSKLKPAMZFT-UHFFFAOYSA-N -1 0 338.157 3.609 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)Cc2coc3cc(F)ccc23)c1 ZINC000353128316 971529169 /nfs/dbraw/zinc/52/91/69/971529169.db2.gz NNRHYDLRLDMDAM-UHFFFAOYSA-N -1 0 341.338 3.770 20 0 EHADRM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000358611903 971532218 /nfs/dbraw/zinc/53/22/18/971532218.db2.gz OZDWBZPNAUGLNK-SECBINFHSA-N -1 0 337.297 3.635 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)NCc2cc3ccccc3s2)C1 ZINC001589595631 949141450 /nfs/dbraw/zinc/14/14/50/949141450.db2.gz ZKRVMKNNDVMWPJ-GOSISDBHSA-N -1 0 346.452 3.688 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)NCc2cc3cc(C)ccc3o2)C1 ZINC001589595614 949141656 /nfs/dbraw/zinc/14/16/56/949141656.db2.gz ZARCDVJVDNINAQ-LJQANCHMSA-N -1 0 344.411 3.528 20 0 EHADRM CCc1cc(Br)ccc1NCc1nc(C(=O)[O-])cs1 ZINC000378658594 971569055 /nfs/dbraw/zinc/56/90/55/971569055.db2.gz DXBQQSUHGFNHGM-UHFFFAOYSA-N -1 0 341.230 3.778 20 0 EHADRM Cc1cccc(NC(=O)c2ccc(C(=O)[O-])cc2)c1Br ZINC000131929547 949295705 /nfs/dbraw/zinc/29/57/05/949295705.db2.gz QCWYPVBQKLAIQU-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM CC1(C)CN(C(=O)Nc2cccc(CCC(=O)[O-])c2)[C@H]2CCC[C@H]21 ZINC000378739894 971575907 /nfs/dbraw/zinc/57/59/07/971575907.db2.gz OQOALSZVNKFTSA-CVEARBPZSA-N -1 0 330.428 3.746 20 0 EHADRM CC[C@@H]1CCCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)CC1 ZINC001589621023 949411829 /nfs/dbraw/zinc/41/18/29/949411829.db2.gz GERIIXISWIKMSU-COXVUDFISA-N -1 0 330.428 3.521 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC001589621640 949420204 /nfs/dbraw/zinc/42/02/04/949420204.db2.gz MQZRSMADCVTFCN-KYJSFNMBSA-N -1 0 345.439 3.577 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000178077067 949486279 /nfs/dbraw/zinc/48/62/79/949486279.db2.gz BJGNUTCRQGUJGN-NSHDSACASA-N -1 0 331.334 3.521 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3sc4ccccc4c3s2)C1 ZINC000178269901 949488343 /nfs/dbraw/zinc/48/83/43/949488343.db2.gz KNRZYGYJWKPDFV-SECBINFHSA-N -1 0 331.418 3.663 20 0 EHADRM C[C@@H](C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccc(Cl)s1 ZINC000191209327 949506863 /nfs/dbraw/zinc/50/68/63/949506863.db2.gz NHQRHOTXGJAXDV-MNOVXSKESA-N -1 0 329.849 3.608 20 0 EHADRM CC(C)(CC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000193090763 949519117 /nfs/dbraw/zinc/51/91/17/949519117.db2.gz LXDNCQQWGQVDAN-OAQYLSRUSA-N -1 0 339.435 3.513 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)c1ncc(C(F)(F)F)cc1Cl ZINC001595256299 949623146 /nfs/dbraw/zinc/62/31/46/949623146.db2.gz WPQSPBJEUNWEDT-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1Cc1c(F)ccc(Br)c1F ZINC000230318464 949679246 /nfs/dbraw/zinc/67/92/46/949679246.db2.gz UQQMVMMNMDJBAW-VIFPVBQESA-N -1 0 348.187 3.557 20 0 EHADRM CCCCC[C@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)C(C)(C)C ZINC001589641778 949697791 /nfs/dbraw/zinc/69/77/91/949697791.db2.gz AQYRTMXPJQKDHT-XHSDSOJGSA-N -1 0 338.492 3.734 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)O[C@H](c1ccc2ccccc2c1)C(F)(F)F ZINC001602810698 971602135 /nfs/dbraw/zinc/60/21/35/971602135.db2.gz RQSYRLJSMZECBC-NOZJJQNGSA-N -1 0 326.270 3.707 20 0 EHADRM CCCCCC[C@H](C)NC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001589645084 949717494 /nfs/dbraw/zinc/71/74/94/949717494.db2.gz MTGQGLNDQQDKOY-KXBFYZLASA-N -1 0 334.460 3.687 20 0 EHADRM CCCCCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])cn2)cc1 ZINC001589646839 949742518 /nfs/dbraw/zinc/74/25/18/949742518.db2.gz STQJPFSVTRKAQD-UHFFFAOYSA-N -1 0 328.368 3.601 20 0 EHADRM CCCCOc1ccc(-c2csc(NC(=O)[C@H](C)C(=O)[O-])n2)cc1 ZINC001589653000 949793739 /nfs/dbraw/zinc/79/37/39/949793739.db2.gz PTGJULKWJXMXFE-NSHDSACASA-N -1 0 348.424 3.648 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)N(Cc1ccccc1)CC1CCC1 ZINC001595273851 949879429 /nfs/dbraw/zinc/87/94/29/949879429.db2.gz PJQBXJKYJARQSM-UHFFFAOYSA-N -1 0 339.395 3.614 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC001595274233 949889736 /nfs/dbraw/zinc/88/97/36/949889736.db2.gz WPEPMSIFMRGKEA-UHFFFAOYSA-N -1 0 345.786 3.630 20 0 EHADRM CCCCc1nc2cc(NC(=O)[C@@H](C(=O)[O-])C3CCCC3)ccc2[nH]1 ZINC001589668161 949917400 /nfs/dbraw/zinc/91/74/00/949917400.db2.gz YVWIFLFSBMKLIJ-KRWDZBQOSA-N -1 0 343.427 3.735 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000237324619 949957153 /nfs/dbraw/zinc/95/71/53/949957153.db2.gz CILWULIFYLUROK-YOEHRIQHSA-N -1 0 335.419 3.640 20 0 EHADRM COc1ccc2oc(C)c(C(=O)N3CCCC[C@H]3CCC(=O)[O-])c2c1 ZINC000237312470 949957942 /nfs/dbraw/zinc/95/79/42/949957942.db2.gz JNUOXSFVIBOLHK-ZDUSSCGKSA-N -1 0 345.395 3.609 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cccc(C(F)(F)F)c1F ZINC000237992863 949986490 /nfs/dbraw/zinc/98/64/90/949986490.db2.gz MNWUSTBSFVRIRI-SNVBAGLBSA-N -1 0 347.308 3.704 20 0 EHADRM Cc1cc(C)cc(OCCC(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC000262281256 950102930 /nfs/dbraw/zinc/10/29/30/950102930.db2.gz URPDWOFNZQFJJA-UHFFFAOYSA-N -1 0 341.407 3.728 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000262288981 950105065 /nfs/dbraw/zinc/10/50/65/950105065.db2.gz ZYRBRHDPMCOASP-DLBZAZTESA-N -1 0 333.403 3.598 20 0 EHADRM COCc1c2ccccc2oc1C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC000263135718 950286251 /nfs/dbraw/zinc/28/62/51/950286251.db2.gz MBEVFBDBKPHODW-CQSZACIVSA-N -1 0 347.411 3.589 20 0 EHADRM CCSc1cccc(F)c1NC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263153931 950299327 /nfs/dbraw/zinc/29/93/27/950299327.db2.gz PUAAEACFQLUCPW-QWRGUYRKSA-N -1 0 340.420 3.512 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccccc2OC2CCCC2)C1 ZINC000263175796 950310708 /nfs/dbraw/zinc/31/07/08/950310708.db2.gz SSKLHYFGFDBUTC-UONOGXRCSA-N -1 0 346.427 3.583 20 0 EHADRM CCN(C(=O)c1coc(/C=C/C(=O)[O-])c1)c1nc2ccccc2s1 ZINC001589710992 950324539 /nfs/dbraw/zinc/32/45/39/950324539.db2.gz OFZSIYYLMNEWNL-BQYQJAHWSA-N -1 0 342.376 3.654 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000263216118 950330535 /nfs/dbraw/zinc/33/05/35/950330535.db2.gz ODCVZYJLGATICN-BDAKNGLRSA-N -1 0 349.736 3.684 20 0 EHADRM CN(CCCCc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263371858 950413327 /nfs/dbraw/zinc/41/33/27/950413327.db2.gz NEFQMHNYRMKLQD-UHFFFAOYSA-N -1 0 340.423 3.549 20 0 EHADRM CN(CCC(=O)[O-])C(=O)N[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000263419951 950452469 /nfs/dbraw/zinc/45/24/69/950452469.db2.gz WPYWUCJFJIQIEC-CQSZACIVSA-N -1 0 345.226 3.561 20 0 EHADRM O=C([O-])CCCNC(=O)N1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000263470749 950479891 /nfs/dbraw/zinc/47/98/91/950479891.db2.gz LFZAZAMWZCYOCK-KRWDZBQOSA-N -1 0 330.428 3.568 20 0 EHADRM O=C([O-])c1ccc(CN2CCO[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000263562873 950512693 /nfs/dbraw/zinc/51/26/93/950512693.db2.gz CYWHWXCETJCXKH-QGZVFWFLSA-N -1 0 331.799 3.612 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c(F)cc1Br ZINC000312383482 950761840 /nfs/dbraw/zinc/76/18/40/950761840.db2.gz NNTLWKLYKONLRY-NSHDSACASA-N -1 0 346.196 3.582 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1nc2cc(Cl)ccc2s1 ZINC001602853033 971695711 /nfs/dbraw/zinc/69/57/11/971695711.db2.gz JJLXMRLFOZPWEI-JTQLQIEISA-N -1 0 326.805 3.635 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ccc2c(c1)C=CC1(CCC1)O2 ZINC001602853506 971700591 /nfs/dbraw/zinc/70/05/91/971700591.db2.gz WHFVIXLNUVYGKR-HNNXBMFYSA-N -1 0 329.396 3.700 20 0 EHADRM O=C([O-])CC1(C(=O)OCc2ccc(SC(F)F)cc2)CCC1 ZINC001594978185 950951679 /nfs/dbraw/zinc/95/16/79/950951679.db2.gz NVDFPVYSZJOZJC-UHFFFAOYSA-N -1 0 330.352 3.690 20 0 EHADRM O=C([O-])CC1(C(=O)Oc2c(Cl)ccc3ccccc32)CCOCC1 ZINC001594978661 950960644 /nfs/dbraw/zinc/96/06/44/950960644.db2.gz RFFCOERQNIDOPS-UHFFFAOYSA-N -1 0 348.782 3.670 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)nc1 ZINC000319666535 950965218 /nfs/dbraw/zinc/96/52/18/950965218.db2.gz TUXQVNPBCHNZMY-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM C[C@H]1CCc2c(C(=O)Nc3ccc(O)c(C(=O)[O-])c3)csc2C1 ZINC000319878427 950970300 /nfs/dbraw/zinc/97/03/00/950970300.db2.gz VEHYXUIFMAMPQF-VIFPVBQESA-N -1 0 331.393 3.529 20 0 EHADRM Cc1cccc(CSCC(=O)NC2(C(=O)[O-])CCCCCC2)c1 ZINC000320307720 950981580 /nfs/dbraw/zinc/98/15/80/950981580.db2.gz LEZNYSDIWAOKJB-UHFFFAOYSA-N -1 0 335.469 3.522 20 0 EHADRM COc1cc(Cl)ccc1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000322622609 951033930 /nfs/dbraw/zinc/03/39/30/951033930.db2.gz SFMORDAIKDYMIK-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)Nc2csnc2-c2ccccc2)C1 ZINC001594990615 951041737 /nfs/dbraw/zinc/04/17/37/951041737.db2.gz NUMCJKKRUCXGTG-GFCCVEGCSA-N -1 0 345.424 3.529 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000324588784 951070365 /nfs/dbraw/zinc/07/03/65/951070365.db2.gz IDUBKRFGBHLWAI-AWEZNQCLSA-N -1 0 334.416 3.583 20 0 EHADRM CC(C)[C@H](NC(=O)Nc1ccccc1Cc1ccccc1)C(=O)[O-] ZINC000325128626 951081081 /nfs/dbraw/zinc/08/10/81/951081081.db2.gz HCMGZDHGGUSQGX-KRWDZBQOSA-N -1 0 326.396 3.508 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(F)c3ccccc23)C1 ZINC000326426332 951098204 /nfs/dbraw/zinc/09/82/04/951098204.db2.gz WGJZJCJYKRYRLG-LJQANCHMSA-N -1 0 329.371 3.696 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)c1ccc2ncccc2c1 ZINC000327645831 951118034 /nfs/dbraw/zinc/11/80/34/951118034.db2.gz UHXUJSWONZWFIK-UHFFFAOYSA-N -1 0 332.359 3.526 20 0 EHADRM CC(C)C[C@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000360820932 951136308 /nfs/dbraw/zinc/13/63/08/951136308.db2.gz XUEJZVYFOQQJEB-ZDUSSCGKSA-N -1 0 332.227 3.542 20 0 EHADRM CCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001592426090 951328630 /nfs/dbraw/zinc/32/86/30/951328630.db2.gz KBGHWBNKGKITNJ-VHSXEESVSA-N -1 0 345.317 3.544 20 0 EHADRM CC(=O)Nc1ccc(SCCOc2ccccc2C(=O)[O-])cc1 ZINC000390471939 951379412 /nfs/dbraw/zinc/37/94/12/951379412.db2.gz BQRDLBWIVPJKGL-UHFFFAOYSA-N -1 0 331.393 3.514 20 0 EHADRM O=C([O-])CCCCCNC(=O)N1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC001595035599 951402484 /nfs/dbraw/zinc/40/24/84/951402484.db2.gz OGFKVBPKEVJTRD-SFHVURJKSA-N -1 0 342.439 3.734 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2cc(C3CCCCC3)[nH]n2)c1 ZINC001595064137 951533371 /nfs/dbraw/zinc/53/33/71/951533371.db2.gz BXCWLJFVRDIOMU-UHFFFAOYSA-N -1 0 341.411 3.727 20 0 EHADRM COc1cc([N+](=O)[O-])ccc1OCc1cccc(C(=O)[O-])c1Cl ZINC000381466081 971759929 /nfs/dbraw/zinc/75/99/29/971759929.db2.gz BJXVMNZYPIPTIC-UHFFFAOYSA-N -1 0 337.715 3.534 20 0 EHADRM O=C([O-])c1csc(SCc2csc(Br)c2)n1 ZINC000382154624 971802235 /nfs/dbraw/zinc/80/22/35/971802235.db2.gz FVVINEHPSYMPPU-UHFFFAOYSA-N -1 0 336.257 3.958 20 0 EHADRM O=C([O-])[C@H]1CCCN1C(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 ZINC001595199971 952308911 /nfs/dbraw/zinc/30/89/11/952308911.db2.gz IAOOGGWEWBVAOZ-MRXNPFEDSA-N -1 0 346.333 3.713 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)C1[C@@H]3CCCCCC[C@@H]13)COCC2 ZINC001595206247 952327913 /nfs/dbraw/zinc/32/79/13/952327913.db2.gz DKNLFBUTFAEVSE-GHMZBOCLSA-N -1 0 349.452 3.674 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CC(c3cccc(C(F)(F)F)c3)C2)cc1 ZINC001595214391 952366786 /nfs/dbraw/zinc/36/67/86/952366786.db2.gz WQVYMIVEHGNFGK-UHFFFAOYSA-N -1 0 349.308 3.643 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC001602916755 971873747 /nfs/dbraw/zinc/87/37/47/971873747.db2.gz IEQPJOFMBWXWHP-FQEVSTJZSA-N -1 0 341.407 3.594 20 0 EHADRM CC(C)(C)c1ccc(CNC(=O)Nc2cccc(CC(=O)[O-])c2)o1 ZINC001602922809 971881527 /nfs/dbraw/zinc/88/15/27/971881527.db2.gz GRBQOZCTLNHDRN-UHFFFAOYSA-N -1 0 330.384 3.526 20 0 EHADRM CC(C)(C)c1ccc(CC(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001602922810 971881840 /nfs/dbraw/zinc/88/18/40/971881840.db2.gz GSXGMIOFWLPTGH-GOSISDBHSA-N -1 0 343.398 3.608 20 0 EHADRM O=C([O-])C1CCC(NC(=O)Nc2ccc3c(c2)CCCCC3)CC1 ZINC000404691264 953382007 /nfs/dbraw/zinc/38/20/07/953382007.db2.gz JHQHUYDXVFEZAH-UHFFFAOYSA-N -1 0 330.428 3.720 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)NC[C@H](CC(C)C)C(=O)[O-])c1 ZINC000424402643 953467194 /nfs/dbraw/zinc/46/71/94/953467194.db2.gz AACYIWQIWXEBSU-DLBZAZTESA-N -1 0 332.444 3.588 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)NC[C@H](CC(C)C)C(=O)[O-])c1 ZINC000424402645 953467432 /nfs/dbraw/zinc/46/74/32/953467432.db2.gz AACYIWQIWXEBSU-IRXDYDNUSA-N -1 0 332.444 3.588 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1C[C@H](C)C[C@H]1c1ccccc1)C(=O)[O-] ZINC000424425010 953482514 /nfs/dbraw/zinc/48/25/14/953482514.db2.gz PWMBJTWOGILQNX-OIISXLGYSA-N -1 0 332.444 3.526 20 0 EHADRM CCC(CC)(CNC(=O)N1CC[C@H](C)C[C@@H]1c1ccco1)C(=O)[O-] ZINC000424432861 953486667 /nfs/dbraw/zinc/48/66/67/953486667.db2.gz QXOZDYMUYXJNFX-UONOGXRCSA-N -1 0 336.432 3.653 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000427729844 953497292 /nfs/dbraw/zinc/49/72/92/953497292.db2.gz CHOYAAJLVFZMQY-NSHDSACASA-N -1 0 333.771 3.725 20 0 EHADRM Cc1c(C(=O)N2CCC[C@H](CC(=O)[O-])C2)oc2c1c(C)ccc2C ZINC000532874781 953566784 /nfs/dbraw/zinc/56/67/84/953566784.db2.gz XMUYADJGUSQJPN-CQSZACIVSA-N -1 0 329.396 3.685 20 0 EHADRM CC(C)Oc1ccccc1[C@H](C)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000540667518 953574408 /nfs/dbraw/zinc/57/44/08/953574408.db2.gz URWKBHPPNGNOFU-ZDUSSCGKSA-N -1 0 327.380 3.663 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)N[C@H](c1ccccc1)C1CCC1 ZINC001594773731 953579322 /nfs/dbraw/zinc/57/93/22/953579322.db2.gz SHMJSTSYAPUDLI-GOSISDBHSA-N -1 0 338.407 3.725 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)Nc1nc2ccccc2s1)C(=O)[O-] ZINC000562406467 953589173 /nfs/dbraw/zinc/58/91/73/953589173.db2.gz KBAYEVSTHLBGOV-NSHDSACASA-N -1 0 335.429 3.697 20 0 EHADRM CCc1cc2oc(=O)cc(CSCCC(=O)[O-])c2cc1Cl ZINC001593634142 953601169 /nfs/dbraw/zinc/60/11/69/953601169.db2.gz ZWOQETVANBTYFE-UHFFFAOYSA-N -1 0 326.801 3.717 20 0 EHADRM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC001589291559 953605633 /nfs/dbraw/zinc/60/56/33/953605633.db2.gz LGZYXVWFNQSGTB-IAQYHMDHSA-N -1 0 343.358 3.534 20 0 EHADRM C[C@H]1CCN(C(=O)C2CCC(c3ccccc3)CC2)C[C@H]1C(=O)[O-] ZINC000564977764 953609352 /nfs/dbraw/zinc/60/93/52/953609352.db2.gz IRWIZPLWAMACBQ-IWCVFHTOSA-N -1 0 329.440 3.530 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)NC2CCC(c3ccccc3)CC2)C1 ZINC000566725758 953627545 /nfs/dbraw/zinc/62/75/45/953627545.db2.gz VXBDEOASBDIOGW-ZLPCBKJTSA-N -1 0 344.455 3.609 20 0 EHADRM C[C@@H]1CCN(c2nc3cc(Cl)cc(Cl)c3o2)C[C@@H]1C(=O)[O-] ZINC000567866593 953637327 /nfs/dbraw/zinc/63/73/27/953637327.db2.gz ZNKAFGPASONPEJ-APPZFPTMSA-N -1 0 329.183 3.682 20 0 EHADRM CCc1ccc2ccccc2c1CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001593640181 953638245 /nfs/dbraw/zinc/63/82/45/953638245.db2.gz ROXIWOATHDAXPI-JKSUJKDBSA-N -1 0 325.408 3.519 20 0 EHADRM CCc1cccc2c1OCC[C@H]2NC(=O)Nc1ccccc1C(=O)[O-] ZINC001593641783 953648808 /nfs/dbraw/zinc/64/88/08/953648808.db2.gz INKDNKCIVZBVJY-MRXNPFEDSA-N -1 0 340.379 3.593 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC001594793227 953698749 /nfs/dbraw/zinc/69/87/49/953698749.db2.gz BMUGWBOZIYXINE-FZNQNYSPSA-N -1 0 348.418 3.533 20 0 EHADRM O=C([O-])CC1(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CCC1 ZINC000580079769 953712607 /nfs/dbraw/zinc/71/26/07/953712607.db2.gz CJNSMSMNLOQQPZ-GFCCVEGCSA-N -1 0 339.844 3.638 20 0 EHADRM CCc1ncc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)s1 ZINC001593652087 953713317 /nfs/dbraw/zinc/71/33/17/953713317.db2.gz DHXJOXRPBRACKF-UHFFFAOYSA-N -1 0 336.438 3.596 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000591653802 953742841 /nfs/dbraw/zinc/74/28/41/953742841.db2.gz VMNUOMDGPDOFFG-IAQYHMDHSA-N -1 0 347.436 3.621 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000591562776 953743290 /nfs/dbraw/zinc/74/32/90/953743290.db2.gz XGHQLTMIUVEBIA-NEPJUHHUSA-N -1 0 347.436 3.621 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1cc(F)ccc1Cl)c1ccc(F)cc1 ZINC001594802015 953746693 /nfs/dbraw/zinc/74/66/93/953746693.db2.gz YHGCDNZOWHDHHW-CYBMUJFWSA-N -1 0 340.713 3.566 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H]2C[C@H](c3ccccc3F)C2)c(F)c1 ZINC001594804064 953767328 /nfs/dbraw/zinc/76/73/28/953767328.db2.gz KOCHDEUDRHFGPH-HAQNSBGRSA-N -1 0 346.333 3.731 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000621582821 953793940 /nfs/dbraw/zinc/79/39/40/953793940.db2.gz FDRVJSFNWKSLHT-UHFFFAOYSA-N -1 0 331.343 3.553 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC001594808140 953794623 /nfs/dbraw/zinc/79/46/23/953794623.db2.gz VNLNTWAXLOPZKL-UONOGXRCSA-N -1 0 336.347 3.544 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)Nc1cccc(CC(F)(F)F)c1 ZINC001594808805 953797149 /nfs/dbraw/zinc/79/71/49/953797149.db2.gz DFMXZDMBPIZQJU-UHFFFAOYSA-N -1 0 339.273 3.529 20 0 EHADRM CCn1cc(CC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c2ccccc21 ZINC001593665103 953828844 /nfs/dbraw/zinc/82/88/44/953828844.db2.gz ITDMDXSUOGNIHQ-INIZCTEOSA-N -1 0 344.455 3.599 20 0 EHADRM C[C@@H]1CCC[C@@H]1CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001589318904 953841650 /nfs/dbraw/zinc/84/16/50/953841650.db2.gz CBXMPFBVBSCIOB-RKDXNWHRSA-N -1 0 328.771 3.735 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)c1ccc(C2CCOCC2)cc1)C(=O)[O-] ZINC000630184108 953846863 /nfs/dbraw/zinc/84/68/63/953846863.db2.gz HIZUJRUWPPEQHC-KRWDZBQOSA-N -1 0 347.455 3.590 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1ncc(-c2ccc(Cl)cc2)s1 ZINC001594820799 953897672 /nfs/dbraw/zinc/89/76/72/953897672.db2.gz RTDMOHZFLJINBE-WDEREUQCSA-N -1 0 336.800 3.513 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000643425304 953902202 /nfs/dbraw/zinc/90/22/02/953902202.db2.gz GTJNXENFBKOMAO-CHWSQXEVSA-N -1 0 348.443 3.567 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)nc1 ZINC000643429856 953903525 /nfs/dbraw/zinc/90/35/25/953903525.db2.gz FINNSXRKUYAIJX-HNNXBMFYSA-N -1 0 338.407 3.598 20 0 EHADRM CN(C(=O)NCC1(C(=O)[O-])CCC1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001593677317 953940778 /nfs/dbraw/zinc/94/07/78/953940778.db2.gz FKJFAYOXSMZXLU-IAGOWNOFSA-N -1 0 344.455 3.609 20 0 EHADRM C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001589332382 953953208 /nfs/dbraw/zinc/95/32/08/953953208.db2.gz JJDFDGPDKUIYJS-PXAZEXFGSA-N -1 0 339.395 3.615 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)Nc2ccccc2CCC(F)(F)F)C1 ZINC000647697348 953966620 /nfs/dbraw/zinc/96/66/20/953966620.db2.gz CSKMXQFSDFLNHJ-NEPJUHHUSA-N -1 0 344.333 3.556 20 0 EHADRM C[C@@H]1CCN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)[C@@H]1c1ccccc1 ZINC001589338496 954017047 /nfs/dbraw/zinc/01/70/47/954017047.db2.gz ZOXDNPIPSXPPSG-SFCXEPTFSA-N -1 0 325.364 3.601 20 0 EHADRM CC(C)(CC(=O)c1ccccc1)CC(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000653318893 954143563 /nfs/dbraw/zinc/14/35/63/954143563.db2.gz AKAXOEYTMJIIQU-MRXNPFEDSA-N -1 0 345.439 3.532 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)C(=O)C[C@@H](C)c1ccccc1C(F)(F)F ZINC000653341812 954175253 /nfs/dbraw/zinc/17/52/53/954175253.db2.gz MOYBODMARNVUPL-ZWNOBZJWSA-N -1 0 331.334 3.521 20 0 EHADRM O=C([O-])C1(C(=O)N2CCc3cccc(Cl)c3C2)CCCCCC1 ZINC001594850579 954180719 /nfs/dbraw/zinc/18/07/19/954180719.db2.gz RUUNYRNNTBRQGI-UHFFFAOYSA-N -1 0 335.831 3.650 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)NCCCCC(=O)[O-])cc1F ZINC000653547188 954193641 /nfs/dbraw/zinc/19/36/41/954193641.db2.gz CCUKLSOUROIEGM-UHFFFAOYSA-N -1 0 340.395 3.627 20 0 EHADRM CC(C)[C@H](CNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000655568307 954205530 /nfs/dbraw/zinc/20/55/30/954205530.db2.gz GVQGPRFDPIOXTF-UPJWGTAASA-N -1 0 344.238 3.570 20 0 EHADRM CC[C@H](C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccc(F)cc1 ZINC000655575871 954214116 /nfs/dbraw/zinc/21/41/16/954214116.db2.gz LKIWLVXYYSXEMX-VCOSZWKGSA-N -1 0 335.419 3.571 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655580306 954220386 /nfs/dbraw/zinc/22/03/86/954220386.db2.gz KZJSNGXXOOZTGP-DARAHFNDSA-N -1 0 349.496 3.666 20 0 EHADRM CC[C@@H](NC(=O)NC[C@H](C(=O)[O-])C(C)C)c1ccc(Cl)s1 ZINC000655870045 954257418 /nfs/dbraw/zinc/25/74/18/954257418.db2.gz NYHQKIOKRUWYAO-VHSXEESVSA-N -1 0 332.853 3.509 20 0 EHADRM C[C@@H](CNC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1)C(=O)[O-] ZINC000655884686 954266766 /nfs/dbraw/zinc/26/67/66/954266766.db2.gz JJDHUYPUMHSDLG-SWLSCSKDSA-N -1 0 338.835 3.687 20 0 EHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)NC[C@@H](C(=O)[O-])C(C)C)o1 ZINC000655894038 954275329 /nfs/dbraw/zinc/27/53/29/954275329.db2.gz UVSCMWDKUGCIHA-CABCVRRESA-N -1 0 336.432 3.572 20 0 EHADRM CCN(C(=O)c1ccc(OCC(=O)[O-])cc1)[C@@H](C)c1ccc(F)cc1 ZINC000659753444 954356370 /nfs/dbraw/zinc/35/63/70/954356370.db2.gz LLGKYUOFPNPIBF-ZDUSSCGKSA-N -1 0 345.370 3.512 20 0 EHADRM O=C([O-])C1(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)CCC1 ZINC001594871825 954361272 /nfs/dbraw/zinc/36/12/72/954361272.db2.gz HZTPRHKFIVWORS-UHFFFAOYSA-N -1 0 342.829 3.718 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc3cc(Cl)ccc3s2)C1 ZINC000659764819 954364701 /nfs/dbraw/zinc/36/47/01/954364701.db2.gz NPKJJJWCTXZYKX-ONGXEEELSA-N -1 0 337.828 3.738 20 0 EHADRM CCN(C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1)[C@H](C)C(=O)[O-] ZINC000659773177 954368475 /nfs/dbraw/zinc/36/84/75/954368475.db2.gz VDMFQEYZLCXUCI-WDEREUQCSA-N -1 0 331.334 3.521 20 0 EHADRM O=C([O-])C1(NC(=O)C(F)(F)c2ccc(Cl)cc2)CCCCCC1 ZINC001594880654 954427093 /nfs/dbraw/zinc/42/70/93/954427093.db2.gz PXHYLTGUXAXIMA-UHFFFAOYSA-N -1 0 345.773 3.726 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc2)oc1C ZINC000663065571 954438394 /nfs/dbraw/zinc/43/83/94/954438394.db2.gz ABZHJKJWFVBJKU-CQSZACIVSA-N -1 0 330.384 3.644 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000663076370 954452480 /nfs/dbraw/zinc/45/24/80/954452480.db2.gz OZHUUTXIMORKIZ-OAHLLOKOSA-N -1 0 329.318 3.621 20 0 EHADRM O=C([O-])[C@@H](C(=O)N1CCC(c2cccc3ccccc32)CC1)C1CC1 ZINC000663086168 954465490 /nfs/dbraw/zinc/46/54/90/954465490.db2.gz JZZXJNORFPIPOX-LJQANCHMSA-N -1 0 337.419 3.657 20 0 EHADRM CCCCn1ccnc1-c1cccc(NC(=O)C2(C(=O)[O-])CCC2)c1 ZINC000663107760 954496527 /nfs/dbraw/zinc/49/65/27/954496527.db2.gz MPRMFMIJRKOXTD-UHFFFAOYSA-N -1 0 341.411 3.544 20 0 EHADRM CC(C)[C@@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])C[C@@H](C)O[C@@H]2C ZINC001589409251 954504270 /nfs/dbraw/zinc/50/42/70/954504270.db2.gz WVVQAKHIWQZGIH-OPRDCNLKSA-N -1 0 325.430 3.699 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)N2CCC(c3ccsc3)CC2)c1 ZINC000666562235 954560071 /nfs/dbraw/zinc/56/00/71/954560071.db2.gz IWEDLINQMGXVOB-UHFFFAOYSA-N -1 0 344.436 3.536 20 0 EHADRM C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001589418227 954576739 /nfs/dbraw/zinc/57/67/39/954576739.db2.gz PXZILVBMBUBXFH-INTQDDNPSA-N -1 0 342.222 3.550 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)N2CCC[C@H]2C2CCCC2)c2ccccc21 ZINC001594899875 954616270 /nfs/dbraw/zinc/61/62/70/954616270.db2.gz HNECATZIRDXMMC-SQNIBIBYSA-N -1 0 342.439 3.664 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](Nc2ncccc2Br)c2ccccc21 ZINC001594903160 954652048 /nfs/dbraw/zinc/65/20/48/954652048.db2.gz SAHHHMDCYWSHJE-DGCLKSJQSA-N -1 0 333.185 3.569 20 0 EHADRM CC(C)C1CCC(CNC(=O)N2CCC(CCC(=O)[O-])CC2)CC1 ZINC001603000689 972041103 /nfs/dbraw/zinc/04/11/03/972041103.db2.gz XJEGLAWMIYSQQM-UHFFFAOYSA-N -1 0 338.492 3.735 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(-n3cccc3)cc2)c2ccccc21 ZINC001594927836 954821549 /nfs/dbraw/zinc/82/15/49/954821549.db2.gz MEUCIEHLQACQJA-GOSISDBHSA-N -1 0 346.386 3.696 20 0 EHADRM CC[C@H](C)Oc1ccc(NC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1 ZINC001589463623 954876372 /nfs/dbraw/zinc/87/63/72/954876372.db2.gz GFYKYVKJBXCCCW-IHRRRGAJSA-N -1 0 334.416 3.581 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC001589478043 954965633 /nfs/dbraw/zinc/96/56/33/954965633.db2.gz XHGAMPDGMPNWBZ-QWHCGFSZSA-N -1 0 343.345 3.569 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C ZINC001589480419 954968199 /nfs/dbraw/zinc/96/81/99/954968199.db2.gz UGUGGOPSNWYVPX-UHFFFAOYSA-N -1 0 345.443 3.700 20 0 EHADRM CCC(CC)(CNC(=O)N[C@H](c1ccccc1)C1CCC1)C(=O)[O-] ZINC001589489426 955010501 /nfs/dbraw/zinc/01/05/01/955010501.db2.gz KRPJEDDKVGWTSK-MRXNPFEDSA-N -1 0 332.444 3.718 20 0 EHADRM CN(CC(=O)[O-])C(=O)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000737978576 955230497 /nfs/dbraw/zinc/23/04/97/955230497.db2.gz XYLSTDUSAIYSPZ-YBEGLDIGSA-N -1 0 347.773 3.563 20 0 EHADRM CC(C)CCC1CCN(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CC1 ZINC001603021747 972081976 /nfs/dbraw/zinc/08/19/76/972081976.db2.gz ZYGLCNKVDCFXHH-MRXNPFEDSA-N -1 0 326.481 3.591 20 0 EHADRM CC(C)c1ocnc1C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000783964056 955342924 /nfs/dbraw/zinc/34/29/24/955342924.db2.gz MDRCFBMDLFKKSS-UHFFFAOYSA-N -1 0 342.395 3.516 20 0 EHADRM C[C@](CNC(=O)C=C1CCC(C)(C)CC1)(C(=O)[O-])c1ccccc1 ZINC000799251598 955352907 /nfs/dbraw/zinc/35/29/07/955352907.db2.gz IWOYOCQMODEJDM-HXUWFJFHSA-N -1 0 329.440 3.672 20 0 EHADRM Cc1oc(C2CC2)nc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001594506369 955360483 /nfs/dbraw/zinc/36/04/83/955360483.db2.gz LVTBCAGPTQSLEQ-UHFFFAOYSA-N -1 0 338.722 3.603 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)Nc1cccnc1C(=O)[O-] ZINC001589007702 955374921 /nfs/dbraw/zinc/37/49/21/955374921.db2.gz PXYRXWRTRPEQCC-CYBMUJFWSA-N -1 0 341.411 3.658 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cccc(SC(F)F)c2)C[C@H]1C(=O)[O-] ZINC000843318979 955627379 /nfs/dbraw/zinc/62/73/79/955627379.db2.gz IVNHPIHPDNMBDD-BXKDBHETSA-N -1 0 344.383 3.576 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1cccc(SC(F)(F)F)c1 ZINC000851598510 955784927 /nfs/dbraw/zinc/78/49/27/955784927.db2.gz WTFDNELYPDVJTI-UHFFFAOYSA-N -1 0 335.347 3.673 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)[C@]3(C(=O)[O-])CC3(C)C)cc2)nc1 ZINC000852951125 955873763 /nfs/dbraw/zinc/87/37/63/955873763.db2.gz OJICVCRZCYOSNW-IBGZPJMESA-N -1 0 340.379 3.622 20 0 EHADRM C[C@H](NC(=O)[C@H](C(=O)[O-])C(C)(C)C)c1cccc(OC(F)(F)F)c1 ZINC000852951693 955875237 /nfs/dbraw/zinc/87/52/37/955875237.db2.gz FRUJWUYTDWGHOV-JOYOIKCWSA-N -1 0 347.333 3.509 20 0 EHADRM CC(F)(F)c1cccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC001589085423 955896350 /nfs/dbraw/zinc/89/63/50/955896350.db2.gz VPHWOEMMHNJGPI-OAHLLOKOSA-N -1 0 348.349 3.616 20 0 EHADRM CC(C)(CC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000864098057 955928680 /nfs/dbraw/zinc/92/86/80/955928680.db2.gz AXORZJOYHADGCI-UHFFFAOYSA-N -1 0 329.371 3.508 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N2CCCCC[C@@H]2c2ccco2)o1 ZINC000864111295 955939002 /nfs/dbraw/zinc/93/90/02/955939002.db2.gz ZEVJREDLDNAAQQ-QQBNSCQMSA-N -1 0 329.352 3.728 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000864137312 955960391 /nfs/dbraw/zinc/96/03/91/955960391.db2.gz SOMWPDMUQAMTEL-XPMWWOIKSA-N -1 0 343.354 3.665 20 0 EHADRM CN(C(=O)/C=C/c1ccc(C(=O)[O-])o1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000864158077 955971852 /nfs/dbraw/zinc/97/18/52/955971852.db2.gz ABDMNLVAZKDUDG-GVDBZTIHSA-N -1 0 345.317 3.571 20 0 EHADRM C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589114120 956077421 /nfs/dbraw/zinc/07/74/21/956077421.db2.gz GHSGVCUVQVOJPO-YDVLKRNPSA-N -1 0 349.858 3.695 20 0 EHADRM C[C@@](NCc1cscc1Br)(C(=O)[O-])c1ccccc1 ZINC001589132342 956213355 /nfs/dbraw/zinc/21/33/55/956213355.db2.gz PRTFKSWZGFHJHB-AWEZNQCLSA-N -1 0 340.242 3.600 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001603086495 972158510 /nfs/dbraw/zinc/15/85/10/972158510.db2.gz AJVKIJVQQGXDML-MRXNPFEDSA-N -1 0 346.358 3.560 20 0 EHADRM C[C@@H](N[C@H](Cc1ccccc1)C(=O)[O-])c1ncc(-c2ccccc2)o1 ZINC001589137083 956235905 /nfs/dbraw/zinc/23/59/05/956235905.db2.gz VDKLWTGEKOXMFP-RHSMWYFYSA-N -1 0 336.391 3.688 20 0 EHADRM CO[C@H](CNC(=O)Nc1ccccc1C(=O)[O-])c1cccc(Cl)c1 ZINC001593940834 956271678 /nfs/dbraw/zinc/27/16/78/956271678.db2.gz VFUYQXVTRFAKFK-OAHLLOKOSA-N -1 0 348.786 3.547 20 0 EHADRM CC(C)c1cnc(COC(=O)C2(C(=O)[O-])CCCCCC2)s1 ZINC001603105725 972177794 /nfs/dbraw/zinc/17/77/94/972177794.db2.gz GSVCHTKJHSRRAS-UHFFFAOYSA-N -1 0 325.430 3.735 20 0 EHADRM Cc1nc2c(Cl)cccc2cc1C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000901653373 956404643 /nfs/dbraw/zinc/40/46/43/956404643.db2.gz HKAPZYQQVKZWIA-GXFFZTMASA-N -1 0 346.814 3.522 20 0 EHADRM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)NC1(C(=O)[O-])CCCCC1 ZINC001589167757 956436062 /nfs/dbraw/zinc/43/60/62/956436062.db2.gz XGTQAVVZDOPABJ-CQSZACIVSA-N -1 0 347.455 3.655 20 0 EHADRM C[C@@H](SC[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC001589169285 956456206 /nfs/dbraw/zinc/45/62/06/956456206.db2.gz NKEDUESRRAURFX-JHJVBQTASA-N -1 0 331.478 3.524 20 0 EHADRM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1c(C(=O)[O-])cnn1C ZINC001589174659 956482501 /nfs/dbraw/zinc/48/25/01/956482501.db2.gz MOKKOLYMZRLNCC-VIFPVBQESA-N -1 0 342.226 3.618 20 0 EHADRM CCCN(C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1)[C@H](CC)c1ccccc1 ZINC000901858543 956506248 /nfs/dbraw/zinc/50/62/48/956506248.db2.gz ITLVPYBXXJUBPX-OKZBNKHCSA-N -1 0 347.455 3.646 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)Nc2cc(-n3cccc3)ccc2F)o1 ZINC001594673240 956635345 /nfs/dbraw/zinc/63/53/45/956635345.db2.gz VGPZNZROURQCMQ-VMPITWQZSA-N -1 0 340.310 3.560 20 0 EHADRM C[C@@H]1N(C(=O)c2coc(/C=C\C(=O)[O-])c2)c2ccccc2C1(C)C ZINC000902073477 956641409 /nfs/dbraw/zinc/64/14/09/956641409.db2.gz BZTPXWMQRCOGPH-LAUAKBEESA-N -1 0 325.364 3.704 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)/C=C/c1ccc(F)c2ccccc12 ZINC001594674279 956644948 /nfs/dbraw/zinc/64/49/48/956644948.db2.gz FHAQWOYYJNZSQX-CSKARUKUSA-N -1 0 336.322 3.724 20 0 EHADRM CC1(C)CN(C(=O)c2coc(/C=C\C(=O)[O-])c2)[C@@H]1c1cccs1 ZINC000902099225 956651290 /nfs/dbraw/zinc/65/12/90/956651290.db2.gz VJEBZBXZQRVWFL-IYKSTZQJSA-N -1 0 331.393 3.662 20 0 EHADRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)C1CCCC1 ZINC000388996209 972202147 /nfs/dbraw/zinc/20/21/47/972202147.db2.gz DHEYBNHMXIKSSC-UHFFFAOYSA-N -1 0 326.190 3.584 20 0 EHADRM C[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)c1ccc2ccccc2c1 ZINC000902170967 956672945 /nfs/dbraw/zinc/67/29/45/956672945.db2.gz WBOSCOIKCQNYIC-GLJUWKHASA-N -1 0 325.408 3.513 20 0 EHADRM C[C@@H](CC(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001603120787 972205658 /nfs/dbraw/zinc/20/56/58/972205658.db2.gz VCRXOGYDKISFLM-MISXGVKJSA-N -1 0 343.345 3.663 20 0 EHADRM CC1(C)C[C@@H](C(=O)N2CCCC[C@@H]2CCC(=O)[O-])c2ccccc2O1 ZINC001589214049 956720853 /nfs/dbraw/zinc/72/08/53/956720853.db2.gz NABZJZVJNYNGMK-GDBMZVCRSA-N -1 0 345.439 3.577 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC001589217718 956738172 /nfs/dbraw/zinc/73/81/72/956738172.db2.gz LEIMMLFOPSNRDP-CYBMUJFWSA-N -1 0 333.331 3.738 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)Nc2cccnc2C(=O)[O-])c2ccccc21 ZINC001589223538 956779317 /nfs/dbraw/zinc/77/93/17/956779317.db2.gz AVACSFFFAUJWJG-CQSZACIVSA-N -1 0 339.395 3.714 20 0 EHADRM CSc1ccc(C(=O)N2C[C@H](CCC(=O)[O-])Cc3ccccc32)o1 ZINC000902825045 956814577 /nfs/dbraw/zinc/81/45/77/956814577.db2.gz JQYJHCMDGIDGDK-GFCCVEGCSA-N -1 0 345.420 3.685 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1nc2c(s1)CCc1sccc1-2 ZINC000902841226 956824404 /nfs/dbraw/zinc/82/44/04/956824404.db2.gz MUMULBHDQOPVIS-UHFFFAOYSA-N -1 0 336.438 3.554 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N(Cc1cccc(F)c1)C1CCC1 ZINC000902841996 956824445 /nfs/dbraw/zinc/82/44/45/956824445.db2.gz STKCCACJRMOAMC-UHFFFAOYSA-N -1 0 341.382 3.648 20 0 EHADRM COCCC[C@H](C)C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001593993258 956857832 /nfs/dbraw/zinc/85/78/32/956857832.db2.gz SSICQHVJLLLAQO-QWRGUYRKSA-N -1 0 339.457 3.572 20 0 EHADRM O=C([O-])c1ccc(COC(=O)Cc2cccc(C(F)(F)F)c2)cc1 ZINC001594708862 956865085 /nfs/dbraw/zinc/86/50/85/956865085.db2.gz YVJANMSAIFPJQW-UHFFFAOYSA-N -1 0 338.281 3.690 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)Nc1cccnc1-c1ccccc1 ZINC001594709966 956873512 /nfs/dbraw/zinc/87/35/12/956873512.db2.gz HQTXYVBUGCNZCH-UHFFFAOYSA-N -1 0 332.359 3.628 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OCCOc1ccccc1Cl ZINC000011799809 956891081 /nfs/dbraw/zinc/89/10/81/956891081.db2.gz XDRBWUOAGXYKJF-CLFYSBASSA-N -1 0 348.782 3.904 20 0 EHADRM O=C([O-])c1ccc2ccccc2c1OCC(=O)Nc1cccc(F)c1 ZINC000013086181 956939266 /nfs/dbraw/zinc/93/92/66/956939266.db2.gz GVEOBNZBNYLOGN-UHFFFAOYSA-N -1 0 339.322 3.695 20 0 EHADRM C[C@@]1(Cc2cccs2)CCCN1C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001589247314 956942570 /nfs/dbraw/zinc/94/25/70/956942570.db2.gz LORSGUCBZDLYKE-IWHGQQBYSA-N -1 0 345.420 3.676 20 0 EHADRM CCOc1c(Cl)cc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1OC ZINC000013094829 956945164 /nfs/dbraw/zinc/94/51/64/956945164.db2.gz KEDRUXDOIFYQAD-UHFFFAOYSA-N -1 0 349.770 3.698 20 0 EHADRM C[C@@H](Oc1ccccc1)C(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000013171485 956955297 /nfs/dbraw/zinc/95/52/97/956955297.db2.gz VGCLFWMNMXYVMF-CYBMUJFWSA-N -1 0 335.359 3.944 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc2c(s1)CCCC2)c1ccc(F)cc1 ZINC000013176948 956958112 /nfs/dbraw/zinc/95/81/12/956958112.db2.gz VLTWAUSHBCXVFT-AWEZNQCLSA-N -1 0 347.411 3.712 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000013253694 956993133 /nfs/dbraw/zinc/99/31/33/956993133.db2.gz IEXZFEQYAJNEHH-UHFFFAOYSA-N -1 0 325.242 3.536 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1ccc(NCc2ccsc2)cc1)C(=O)[O-] ZINC000908887726 956996394 /nfs/dbraw/zinc/99/63/94/956996394.db2.gz ICZYYDZYNGWOHG-LRDDRELGSA-N -1 0 346.452 3.589 20 0 EHADRM C[C@H](c1ccc(C(=O)NCCCCCC(=O)[O-])cc1)C(F)(F)F ZINC000909085209 957002883 /nfs/dbraw/zinc/00/28/83/957002883.db2.gz AIJRSAKSKAOAHJ-LLVKDONJSA-N -1 0 331.334 3.727 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)c2ccc(F)cc2Cl)c2ccccc21 ZINC001594727764 957020122 /nfs/dbraw/zinc/02/01/22/957020122.db2.gz UXMCFEVAKHOLNB-HIFRSBDPSA-N -1 0 333.746 3.522 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2cnccc2OC(C)(C)C)c1 ZINC000910802917 957052046 /nfs/dbraw/zinc/05/20/46/957052046.db2.gz ULYJRTLINJWKCD-UHFFFAOYSA-N -1 0 328.368 3.518 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)C1(C(=O)[O-])C(C)(C)C1(C)C ZINC001589263464 957067621 /nfs/dbraw/zinc/06/76/21/957067621.db2.gz NFFSKSOJNDNRFM-ZFWWWQNUSA-N -1 0 329.440 3.528 20 0 EHADRM CN(C(=O)c1csc(-c2cccs2)n1)c1ccccc1C(=O)[O-] ZINC000013441762 957081625 /nfs/dbraw/zinc/08/16/25/957081625.db2.gz FNNRSZBQDUQDON-UHFFFAOYSA-N -1 0 344.417 3.846 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2cccc(Br)c2)c1 ZINC000037403245 957275010 /nfs/dbraw/zinc/27/50/10/957275010.db2.gz PEFSREWNGKZNTP-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CSCc2cccs2)cc1Cl ZINC000048807243 957462206 /nfs/dbraw/zinc/46/22/06/957462206.db2.gz BCDQMPSFLDDJRY-UHFFFAOYSA-N -1 0 341.841 3.972 20 0 EHADRM COc1ccc(C(=O)[O-])c(OCc2ccccc2C(F)(F)F)c1 ZINC000390376089 972279617 /nfs/dbraw/zinc/27/96/17/972279617.db2.gz SLOHNIISASEMLU-UHFFFAOYSA-N -1 0 326.270 3.991 20 0 EHADRM CC(C)Oc1ccc(F)cc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000066965561 957645145 /nfs/dbraw/zinc/64/51/45/957645145.db2.gz FSZCUGTWSAKUFV-UHFFFAOYSA-N -1 0 337.391 3.977 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N(Cc2ccco2)c2ccccn2)c1 ZINC001594282306 957757789 /nfs/dbraw/zinc/75/77/89/957757789.db2.gz QNJPRZGVQNDVIN-UHFFFAOYSA-N -1 0 336.347 3.528 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2C[C@H]3[C@H](C[C@@H]3c3ccccc3)C2)c1 ZINC001594285148 957772197 /nfs/dbraw/zinc/77/21/97/957772197.db2.gz HVHVIPMPMZQAOD-QRVBRYPASA-N -1 0 335.403 3.569 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)O[C@H](c2ccccn2)C(F)(F)F)c1 ZINC001594289392 957813584 /nfs/dbraw/zinc/81/35/84/957813584.db2.gz RWLUPJJBHYRQKI-CYBMUJFWSA-N -1 0 339.269 3.549 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CCC[C@@H](c3ccccc3)CC2)nc1 ZINC001574796091 957819731 /nfs/dbraw/zinc/81/97/31/957819731.db2.gz LOTUQAPGEWBHNX-NVXWUHKLSA-N -1 0 338.407 3.626 20 0 EHADRM Cc1cc(C)c(CCNC(=O)Nc2cccc(C(=O)[O-])c2)c(C)c1 ZINC001594292915 957838526 /nfs/dbraw/zinc/83/85/26/957838526.db2.gz UPLYQJJMDACPRM-UHFFFAOYSA-N -1 0 326.396 3.674 20 0 EHADRM C[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000390674204 972297662 /nfs/dbraw/zinc/29/76/62/972297662.db2.gz SVWKFBOBWVYELI-LLVKDONJSA-N -1 0 330.409 3.526 20 0 EHADRM C[C@@H](CSCc1ccccc1)C(=O)N(CC(=O)[O-])CC(C)(C)C ZINC001603199076 972300432 /nfs/dbraw/zinc/30/04/32/972300432.db2.gz ALJCRFJALDPSCM-AWEZNQCLSA-N -1 0 337.485 3.515 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)c1ccc(Cl)c2cccnc12 ZINC001574815483 957889647 /nfs/dbraw/zinc/88/96/47/957889647.db2.gz YOLYNAZUCQCEQJ-UHFFFAOYSA-N -1 0 340.766 3.516 20 0 EHADRM CON(Cc1ccc(Cl)cc1)C(=O)C1(C(=O)[O-])CCCCCC1 ZINC001594043559 957901020 /nfs/dbraw/zinc/90/10/20/957901020.db2.gz HTQGNBIGYHGQPK-UHFFFAOYSA-N -1 0 339.819 3.655 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccccc1CC(F)(F)F ZINC000460825601 1032068039 /nfs/dbraw/zinc/06/80/39/1032068039.db2.gz WBULDOAXPBIDRE-UHFFFAOYSA-N -1 0 335.372 3.962 20 0 EHADRM COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)[C@@H](C)C(=O)[O-] ZINC001594057780 958053241 /nfs/dbraw/zinc/05/32/41/958053241.db2.gz MWZYTPLJBOXCCW-LLVKDONJSA-N -1 0 347.342 3.594 20 0 EHADRM C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCSC[C@@H]1CC(=O)[O-] ZINC000091133740 958127532 /nfs/dbraw/zinc/12/75/32/958127532.db2.gz VURYNVJGOORZQG-ONGXEEELSA-N -1 0 334.268 3.947 20 0 EHADRM Cc1cc(NC(=O)NCC(F)(F)c2ccccc2)ccc1C(=O)[O-] ZINC001594320541 958127858 /nfs/dbraw/zinc/12/78/58/958127858.db2.gz XWNDNYOCAUEDBP-UHFFFAOYSA-N -1 0 334.322 3.607 20 0 EHADRM CCC1(CNC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CCCC1 ZINC000391190973 972322645 /nfs/dbraw/zinc/32/26/45/972322645.db2.gz RGTNOWJYGWUGKN-UHFFFAOYSA-N -1 0 326.343 3.755 20 0 EHADRM Cc1cc(NC(=O)c2cn(C)c3ccc(F)cc23)ccc1C(=O)[O-] ZINC001594324785 958152306 /nfs/dbraw/zinc/15/23/06/958152306.db2.gz GNLQPYBTVKJTAO-UHFFFAOYSA-N -1 0 326.327 3.576 20 0 EHADRM Cc1cc(OCCCC(=O)Nc2ccc(C(=O)[O-])cn2)ccc1Cl ZINC001594327936 958188299 /nfs/dbraw/zinc/18/82/99/958188299.db2.gz FMLFJVZVRUBTES-UHFFFAOYSA-N -1 0 348.786 3.539 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)Nc2cccnc2C(=O)[O-])ccc1C(C)C ZINC001594328714 958198719 /nfs/dbraw/zinc/19/87/19/958198719.db2.gz YRMYRBZRGSRYBJ-CYBMUJFWSA-N -1 0 342.395 3.618 20 0 EHADRM CN(C(=O)C1CCC(C(F)(F)F)CC1)c1ccccc1C(=O)[O-] ZINC000391291128 972327783 /nfs/dbraw/zinc/32/77/83/972327783.db2.gz NBDYZNPJOZXFLX-UHFFFAOYSA-N -1 0 329.318 3.716 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1C1CC1 ZINC001594078533 958242864 /nfs/dbraw/zinc/24/28/64/958242864.db2.gz HAIKFVQQIKSGCY-UHFFFAOYSA-N -1 0 329.327 3.662 20 0 EHADRM Cc1ccc(-c2cc(C(=O)OCc3ccc(C(=O)[O-])cc3)on2)cc1 ZINC001594334274 958253475 /nfs/dbraw/zinc/25/34/75/958253475.db2.gz QZEGGSKCZGJCIW-UHFFFAOYSA-N -1 0 337.331 3.705 20 0 EHADRM Cc1ccc(-c2cncc(C(=O)N3[C@H](C)CCC[C@@H]3C(=O)[O-])c2)cc1 ZINC001594335825 958263425 /nfs/dbraw/zinc/26/34/25/958263425.db2.gz MCWVWTJALUFVOB-RDTXWAMCSA-N -1 0 338.407 3.525 20 0 EHADRM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001594354025 958393795 /nfs/dbraw/zinc/39/37/95/958393795.db2.gz KLFAEYMXFMYCTB-VSZNYVQBSA-N -1 0 344.455 3.526 20 0 EHADRM Cc1ccc([C@H]2CCN(C(=O)NC[C@@H](C(=O)[O-])C(C)C)C2(C)C)cc1 ZINC001594354136 958397417 /nfs/dbraw/zinc/39/74/17/958397417.db2.gz PBQMQYOACZQYGJ-IAGOWNOFSA-N -1 0 346.471 3.629 20 0 EHADRM COc1ccc(Cl)cc1C(C)(C)NC(=O)c1cccc(C(=O)[O-])c1 ZINC001594097099 958414109 /nfs/dbraw/zinc/41/41/09/958414109.db2.gz ZPFHMUHBZRIUKR-UHFFFAOYSA-N -1 0 347.798 3.712 20 0 EHADRM COc1ccc(N(CCC(C)C)C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001594101419 958437108 /nfs/dbraw/zinc/43/71/08/958437108.db2.gz VLDTXMUWJBSONS-LSDHHAIUSA-N -1 0 333.428 3.575 20 0 EHADRM Cc1ccc(CN(CC(C)C)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c(C)c1 ZINC001594359994 958440265 /nfs/dbraw/zinc/44/02/65/958440265.db2.gz GXEANBDMTHKXLE-AEFFLSMTSA-N -1 0 346.471 3.724 20 0 EHADRM Cc1ccc(N(C(=O)c2ccc(OCC(=O)[O-])cc2)C2CCC2)cc1 ZINC001594366665 958495655 /nfs/dbraw/zinc/49/56/55/958495655.db2.gz GFICUXXBLQHNSV-UHFFFAOYSA-N -1 0 339.391 3.658 20 0 EHADRM CC(=O)CC(C)(C)CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001573340561 958537728 /nfs/dbraw/zinc/53/77/28/958537728.db2.gz RVGGQWIVDJJGIV-UHFFFAOYSA-N -1 0 337.441 3.659 20 0 EHADRM COc1ccc2c(c1)CCCN2C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001594115531 958550146 /nfs/dbraw/zinc/55/01/46/958550146.db2.gz QFVBMOCLOOVIDC-UHFFFAOYSA-N -1 0 340.379 3.687 20 0 EHADRM Cc1ccc(NC(=O)Nc2ccnc(C(=O)[O-])c2)cc1OC(C)C ZINC001594372930 958555344 /nfs/dbraw/zinc/55/53/44/958555344.db2.gz MTQZBIMOBZUMOA-UHFFFAOYSA-N -1 0 329.356 3.519 20 0 EHADRM COc1ccc2cc([C@@H](C)OC(=O)[C@H]3CC[C@H]3C(=O)[O-])ccc2c1 ZINC001594118196 958575660 /nfs/dbraw/zinc/57/56/60/958575660.db2.gz AOMZPLJPPUDRBH-LQAWEQHXSA-N -1 0 328.364 3.563 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)C3(C(=O)[O-])CC=CC3)cn2)cc1 ZINC001594375795 958584957 /nfs/dbraw/zinc/58/49/57/958584957.db2.gz IQOBPCRCEQQYDZ-UHFFFAOYSA-N -1 0 338.363 3.542 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)CCc1c[nH]c2ccccc12 ZINC000391712133 972360178 /nfs/dbraw/zinc/36/01/78/972360178.db2.gz AYWSAHZVYJLOLZ-UHFFFAOYSA-N -1 0 326.327 3.577 20 0 EHADRM COc1cccc(-c2csc(CN3CCC[C@H](C)[C@H]3C(=O)[O-])n2)c1 ZINC001594120191 958595934 /nfs/dbraw/zinc/59/59/34/958595934.db2.gz ZQEKCLFGJDXNML-SJCJKPOMSA-N -1 0 346.452 3.504 20 0 EHADRM C/C(=C\c1ccccc1)CN(C)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001588487778 958627858 /nfs/dbraw/zinc/62/78/58/958627858.db2.gz JWEJDTCMUUIHIE-RVDMUPIBSA-N -1 0 338.407 3.630 20 0 EHADRM Cc1cc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000391732920 972363200 /nfs/dbraw/zinc/36/32/00/972363200.db2.gz FATDFXHKSBKEIA-UHFFFAOYSA-N -1 0 342.782 3.940 20 0 EHADRM Cc1ccc2cc(Cl)cc(C(=O)NC[C@H](CC(C)C)C(=O)[O-])c2n1 ZINC001594382283 958646275 /nfs/dbraw/zinc/64/62/75/958646275.db2.gz YBFJQZRSBOUGPH-ZDUSSCGKSA-N -1 0 348.830 3.673 20 0 EHADRM Cc1ccc2nc(NC(=O)/C=C\c3ccc(C(=O)[O-])o3)sc2c1 ZINC001594385467 958656958 /nfs/dbraw/zinc/65/69/58/958656958.db2.gz PWIXPVRFSRBJFA-DAXSKMNVSA-N -1 0 328.349 3.548 20 0 EHADRM COc1cccc(NC(=O)[C@H](SCCC(=O)[O-])c2ccccc2)c1 ZINC001594131185 958669372 /nfs/dbraw/zinc/66/93/72/958669372.db2.gz PXGWWUVSQOHOAR-QGZVFWFLSA-N -1 0 345.420 3.583 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC001594387594 958690512 /nfs/dbraw/zinc/69/05/12/958690512.db2.gz GXCNQPQLFSBLBE-OLZOCXBDSA-N -1 0 331.318 3.714 20 0 EHADRM Cc1c(NC(=O)c2cc(Cl)ncc2Cl)cccc1C(=O)[O-] ZINC000129073906 958691377 /nfs/dbraw/zinc/69/13/77/958691377.db2.gz RWVNJLIBZMJEBI-UHFFFAOYSA-N -1 0 325.151 3.647 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)Nc1ccc([C@H]2CCOC2)cc1)C(=O)[O-] ZINC001573394222 958710274 /nfs/dbraw/zinc/71/02/74/958710274.db2.gz BSQSCRDQTFGCEU-GOEBONIOSA-N -1 0 348.443 3.592 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)/C=C\c1nc2ccccc2s1)C(=O)[O-] ZINC001573395793 958717551 /nfs/dbraw/zinc/71/75/51/958717551.db2.gz OYRLGNHQIVYWEL-LJTDUEICSA-N -1 0 346.452 3.705 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)c1cc2c(cccc2C2CC2)[nH]1 ZINC001573406166 958724548 /nfs/dbraw/zinc/72/45/48/958724548.db2.gz BTHAOBYEXUPNIX-UHFFFAOYSA-N -1 0 328.412 3.618 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)/C=C/c1ccsc1C(F)(F)F ZINC001573424442 958784461 /nfs/dbraw/zinc/78/44/61/958784461.db2.gz IVVNPCHAZGZDOB-SNAWJCMRSA-N -1 0 349.374 3.739 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)[C@H]1CCC[C@H]1Cc1ccccc1 ZINC001573425550 958787671 /nfs/dbraw/zinc/78/76/71/958787671.db2.gz SMNODRUPEBHOAM-IRXDYDNUSA-N -1 0 331.456 3.605 20 0 EHADRM Cc1cccc(C(=O)N2C[C@@H](C(=O)[O-])Cc3ccccc32)c1Cl ZINC000391852975 972382840 /nfs/dbraw/zinc/38/28/40/972382840.db2.gz KKUPBJQHVIJQGA-ZDUSSCGKSA-N -1 0 329.783 3.552 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1cccs1 ZINC000135288829 958886173 /nfs/dbraw/zinc/88/61/73/958886173.db2.gz LUFAGXKGZNBKEC-NSHDSACASA-N -1 0 330.192 3.611 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)NC2(CC(=O)[O-])CCC2)c1 ZINC001573457873 958910648 /nfs/dbraw/zinc/91/06/48/958910648.db2.gz MYQBKMBJOGXJFI-UHFFFAOYSA-N -1 0 334.416 3.521 20 0 EHADRM O=C([O-])Cc1ccccc1COc1ccc(F)c(Br)c1 ZINC000137486688 958930711 /nfs/dbraw/zinc/93/07/11/958930711.db2.gz FRVXLWBNTOPDFS-UHFFFAOYSA-N -1 0 339.160 3.794 20 0 EHADRM CC(C)(CCNC(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1)C(=O)[O-] ZINC001573474174 958950007 /nfs/dbraw/zinc/95/00/07/958950007.db2.gz FPTGRWCDSYQJRM-UHFFFAOYSA-N -1 0 334.803 3.566 20 0 EHADRM O=C([O-])c1cccc(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 ZINC000391926727 972390945 /nfs/dbraw/zinc/39/09/45/972390945.db2.gz FIGORBHSCNHXMU-UHFFFAOYSA-N -1 0 340.257 3.924 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C(C)(C)C ZINC001594415504 958994289 /nfs/dbraw/zinc/99/42/89/958994289.db2.gz KUXYMFXBBRHELD-YCPHGPKFSA-N -1 0 332.444 3.635 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 ZINC001573490578 959020053 /nfs/dbraw/zinc/02/00/53/959020053.db2.gz YCNBIIGBVHYDKP-QGZVFWFLSA-N -1 0 345.370 3.700 20 0 EHADRM O=C([O-])c1ccc(COc2cc(F)c([N+](=O)[O-])cc2Cl)cc1F ZINC000391973086 972395808 /nfs/dbraw/zinc/39/58/08/972395808.db2.gz ZCNGEFUYOCYAGN-UHFFFAOYSA-N -1 0 343.669 3.804 20 0 EHADRM CC(C)[C@@H]1CCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)C1 ZINC001573501150 959062788 /nfs/dbraw/zinc/06/27/88/959062788.db2.gz FSADHDHLGBMIDY-SECBINFHSA-N -1 0 328.771 3.687 20 0 EHADRM CC(C)C[C@@H](CNC(=O)CCc1ccc(F)c2c1CCCC2)C(=O)[O-] ZINC001573509922 959088274 /nfs/dbraw/zinc/08/82/74/959088274.db2.gz WPCMQLCDFNVSMD-HNNXBMFYSA-N -1 0 349.446 3.500 20 0 EHADRM C[C@@H](C(=O)Nc1cncc(C(=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC001588561239 959099279 /nfs/dbraw/zinc/09/92/79/959099279.db2.gz TUBDFTMRZZBKHH-SECBINFHSA-N -1 0 338.285 3.541 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1(C)C ZINC001588565227 959135239 /nfs/dbraw/zinc/13/52/39/959135239.db2.gz QAFFRMZNSQFDAZ-MFKMUULPSA-N -1 0 343.345 3.521 20 0 EHADRM CSc1cc(NC(=O)N[C@H](CC(C)C)C(=O)[O-])ccc1Cl ZINC001594190256 959169435 /nfs/dbraw/zinc/16/94/35/959169435.db2.gz VAPNEOAABYZMKK-LLVKDONJSA-N -1 0 330.837 3.683 20 0 EHADRM C[C@@H](NC(=O)[C@@]1(C(=O)[O-])CC=CCC1)c1ccc2c(c1)CCCC2 ZINC001594199957 959241295 /nfs/dbraw/zinc/24/12/95/959241295.db2.gz IKWHNSOSVVPAIT-JLTOFOAXSA-N -1 0 327.424 3.554 20 0 EHADRM Cc1coc(-c2ccc(C)c(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)c2)n1 ZINC001594436442 959242955 /nfs/dbraw/zinc/24/29/55/959242955.db2.gz ZKYJMIGSIBAUHG-CQSZACIVSA-N -1 0 330.384 3.644 20 0 EHADRM Cc1[nH]nc(NC(=O)CCCCC(=O)[O-])c1-c1cccc(Cl)c1 ZINC001594441237 959272860 /nfs/dbraw/zinc/27/28/60/959272860.db2.gz ATLRMANIOZFJCF-UHFFFAOYSA-N -1 0 335.791 3.622 20 0 EHADRM CC(C)c1ccc(CCCNC(=O)[C@]2(C(=O)[O-])CC=CCC2)cc1 ZINC001573566590 959291282 /nfs/dbraw/zinc/29/12/82/959291282.db2.gz KPTLSXQRWYNJGL-FQEVSTJZSA-N -1 0 329.440 3.670 20 0 EHADRM Cc1ccc(NC(=O)CCC(=O)c2ccc(Cl)cc2)c(C(=O)[O-])c1 ZINC000170584102 959419300 /nfs/dbraw/zinc/41/93/00/959419300.db2.gz YBGYXJZABOGMBG-UHFFFAOYSA-N -1 0 345.782 3.948 20 0 EHADRM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000180109605 959438484 /nfs/dbraw/zinc/43/84/84/959438484.db2.gz CAOHLHTUUSWJFE-NWDGAFQWSA-N -1 0 344.238 3.843 20 0 EHADRM O=C([O-])c1coc(C(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)c1 ZINC000183765814 959445762 /nfs/dbraw/zinc/44/57/62/959445762.db2.gz ZKQXUXIVLIITOT-MRXNPFEDSA-N -1 0 325.364 3.660 20 0 EHADRM CC(C)Oc1ccc(CC[C@@H](C)NC(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000183762340 959445804 /nfs/dbraw/zinc/44/58/04/959445804.db2.gz RBXUTUXYXNGDRB-CYBMUJFWSA-N -1 0 345.395 3.516 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc(-c3nccs3)cc2)C1 ZINC000183964944 959460039 /nfs/dbraw/zinc/46/00/39/959460039.db2.gz SQJYWCPOMOUEQS-OLZOCXBDSA-N -1 0 330.409 3.640 20 0 EHADRM C[C@H](NC(=O)NCc1ccccc1C(=O)[O-])c1ccc(Cl)s1 ZINC001594235267 959507808 /nfs/dbraw/zinc/50/78/08/959507808.db2.gz DQDZJZZVWNCVDM-VIFPVBQESA-N -1 0 338.816 3.660 20 0 EHADRM C[C@H](NC(=O)c1coc(/C=C\C(=O)[O-])c1)c1c(F)cccc1Cl ZINC001573625885 959540798 /nfs/dbraw/zinc/54/07/98/959540798.db2.gz WTISGTJBMPUCRQ-UDIARPCQSA-N -1 0 337.734 3.661 20 0 EHADRM Cc1ccc(-c2cc(C(=O)N(C)C3(C(=O)[O-])CCCCC3)on2)cc1 ZINC000191287486 959549795 /nfs/dbraw/zinc/54/97/95/959549795.db2.gz DTMPDCRCKBHXEX-UHFFFAOYSA-N -1 0 342.395 3.510 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)CCC(=O)c2ccccc2)cc1)C(=O)[O-] ZINC000191385230 959555653 /nfs/dbraw/zinc/55/56/53/959555653.db2.gz OYZIGGCYOIMEST-CQSZACIVSA-N -1 0 339.391 3.551 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2ccc(Cl)c(F)c2)cc1)C(=O)[O-] ZINC000191424761 959566619 /nfs/dbraw/zinc/56/66/19/959566619.db2.gz HFHWWFRTRMOVMF-JTQLQIEISA-N -1 0 335.762 3.995 20 0 EHADRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(F)c1Cl ZINC000191529206 959577843 /nfs/dbraw/zinc/57/78/43/959577843.db2.gz LRAYUYBMGLIQQD-ZDUSSCGKSA-N -1 0 349.789 3.685 20 0 EHADRM C[C@H](Nc1ncc(Br)cc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001573635044 959586541 /nfs/dbraw/zinc/58/65/41/959586541.db2.gz ZFQLFVHGTTXAIC-UJNFCWOMSA-N -1 0 345.212 3.531 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)C[C@@H]2CCCCO2)cc1 ZINC000192865957 959593304 /nfs/dbraw/zinc/59/33/04/959593304.db2.gz DSLDWFWSNCGVCO-IRXDYDNUSA-N -1 0 347.455 3.575 20 0 EHADRM CCc1ccc(C(C)(C)C(=O)Nc2cccc(OCC(=O)[O-])c2)cc1 ZINC000192875970 959594877 /nfs/dbraw/zinc/59/48/77/959594877.db2.gz CIIBNLNJDQOCQN-UHFFFAOYSA-N -1 0 341.407 3.629 20 0 EHADRM O=C([O-])COc1ccc(/C=C/c2ncc(Br)s2)cc1 ZINC000193050844 959609519 /nfs/dbraw/zinc/60/95/19/959609519.db2.gz LPFZXVGNLTVSAP-ZZXKWVIFSA-N -1 0 340.198 3.539 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC001594256455 959649073 /nfs/dbraw/zinc/64/90/73/959649073.db2.gz CUUXJXGRIJTMLO-LKFCYVNXSA-N -1 0 335.400 3.674 20 0 EHADRM O=C([O-])c1cc(Br)ccc1NC(=O)/C=C\c1ccccc1 ZINC000206753812 959662813 /nfs/dbraw/zinc/66/28/13/959662813.db2.gz XOPYHNMQRXOKKL-TWGQIWQCSA-N -1 0 346.180 3.799 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001573655141 959664520 /nfs/dbraw/zinc/66/45/20/959664520.db2.gz AXTRGYSFTUIOML-QWRGUYRKSA-N -1 0 349.393 3.608 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OCCOc1cccc(C)c1 ZINC000209978324 959674274 /nfs/dbraw/zinc/67/42/74/959674274.db2.gz WAEJMOGDICCNOE-CLFYSBASSA-N -1 0 328.364 3.559 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Oc1ccc(Sc2ccncc2)cc1 ZINC001573667598 959704391 /nfs/dbraw/zinc/70/43/91/959704391.db2.gz IXFULQSQGWESCS-SFHVURJKSA-N -1 0 343.404 3.639 20 0 EHADRM CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)C1(C(=O)[O-])CCSCC1 ZINC001588643458 959716326 /nfs/dbraw/zinc/71/63/26/959716326.db2.gz QLNRHBYAOPKMAC-UONOGXRCSA-N -1 0 341.517 3.553 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)/C=C/c1ccnc2ccccc12)C(=O)[O-] ZINC001588645187 959727139 /nfs/dbraw/zinc/72/71/39/959727139.db2.gz JEJOPKFQIUVALD-KBOKABMXSA-N -1 0 340.423 3.644 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)/C=C/c1ccnc2ccccc12)C(=O)[O-] ZINC001588645185 959727753 /nfs/dbraw/zinc/72/77/53/959727753.db2.gz JEJOPKFQIUVALD-IJDCCNJMSA-N -1 0 340.423 3.644 20 0 EHADRM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N([C@H](C)C(=O)[O-])C1CC1 ZINC001594266057 959738614 /nfs/dbraw/zinc/73/86/14/959738614.db2.gz ABPLRNVYYAZTCN-ZIAGYGMSSA-N -1 0 332.444 3.529 20 0 EHADRM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NC1(C(=O)[O-])CCCC1 ZINC001594267169 959747374 /nfs/dbraw/zinc/74/73/74/959747374.db2.gz QWVQXNXJHCOYFD-CQSZACIVSA-N -1 0 332.444 3.579 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)C1 ZINC001573699622 959817984 /nfs/dbraw/zinc/81/79/84/959817984.db2.gz SXTOEXGAZPAEOW-HUUCEWRRSA-N -1 0 343.467 3.585 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc(C(C)(C)C)c(F)c2)C1 ZINC001573700725 959829678 /nfs/dbraw/zinc/82/96/78/959829678.db2.gz ZDLUEIAXRUPNNC-VXGBXAGGSA-N -1 0 336.407 3.698 20 0 EHADRM O=C([O-])c1ccc(COc2cc(Cl)c(Cl)cc2[N+](=O)[O-])o1 ZINC000231639307 960198544 /nfs/dbraw/zinc/19/85/44/960198544.db2.gz SUBYKLYPDHKLEC-UHFFFAOYSA-N -1 0 332.095 3.772 20 0 EHADRM Cc1cc(C(=O)[O-])nc(Oc2ccc(Cl)cc2Br)n1 ZINC000231955912 960234286 /nfs/dbraw/zinc/23/42/86/960234286.db2.gz IJNMLAMNKACDGJ-UHFFFAOYSA-N -1 0 343.564 3.691 20 0 EHADRM O=C([O-])[C@@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])c2ccccc21 ZINC000392471061 972489445 /nfs/dbraw/zinc/48/94/45/972489445.db2.gz UAQBGSUARLDYLO-CQSZACIVSA-N -1 0 346.770 3.827 20 0 EHADRM COc1ccc(Br)c(NCc2cc(C(=O)[O-])c(C)o2)c1 ZINC000234957428 960379253 /nfs/dbraw/zinc/37/92/53/960379253.db2.gz HAQDXARLADGHIW-UHFFFAOYSA-N -1 0 340.173 3.669 20 0 EHADRM COc1cccc2sc(NC(=O)c3cc(C)cc(C(=O)[O-])c3)nc21 ZINC001574232900 960420410 /nfs/dbraw/zinc/42/04/10/960420410.db2.gz QAPSFAUXRYZUPV-UHFFFAOYSA-N -1 0 342.376 3.564 20 0 EHADRM C[C@H]1OCC[C@H]1SCc1ccc(C(=O)[O-])cc1Br ZINC000235650779 960473281 /nfs/dbraw/zinc/47/32/81/960473281.db2.gz UOKQUCYUEYRCJZ-PRHODGIISA-N -1 0 331.231 3.558 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(COC(C)(C)C)cc2)CC[C@@H]1C(=O)[O-] ZINC001573749085 960530583 /nfs/dbraw/zinc/53/05/83/960530583.db2.gz KUOAKGSLZVSKTC-BBRMVZONSA-N -1 0 348.443 3.576 20 0 EHADRM CSc1cc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)ccc1F ZINC001574257594 960544675 /nfs/dbraw/zinc/54/46/75/960544675.db2.gz QXTQCYDVTAJRGZ-HIFRSBDPSA-N -1 0 345.395 3.591 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)Nc2ccc(C(=O)[O-])cc2F)c2ccccc2O1 ZINC001574281152 960644216 /nfs/dbraw/zinc/64/42/16/960644216.db2.gz WRDBVMVKOKGOCH-MEBBXXQBSA-N -1 0 344.342 3.558 20 0 EHADRM O=C([O-])c1ccc(Oc2cc(F)c(Cl)cc2Br)nn1 ZINC000236483240 960670893 /nfs/dbraw/zinc/67/08/93/960670893.db2.gz IIZVMFDCURNIFG-UHFFFAOYSA-N -1 0 347.527 3.522 20 0 EHADRM C[C@H](OC(=O)[C@@]1(C(=O)[O-])CC1(C)C)c1ccc(OC(F)(F)F)cc1 ZINC001574289102 960671004 /nfs/dbraw/zinc/67/10/04/960671004.db2.gz BAHLRBHQWSVANS-VFZGTOFNSA-N -1 0 346.301 3.690 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C/C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001573777005 960701049 /nfs/dbraw/zinc/70/10/49/960701049.db2.gz VIPVDPMLHRCYLZ-YGNAEDSMSA-N -1 0 340.379 3.609 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)CCc1cccs1 ZINC000236623634 960716801 /nfs/dbraw/zinc/71/68/01/960716801.db2.gz AIFQOQDDFXJNHG-UHFFFAOYSA-N -1 0 333.409 3.805 20 0 EHADRM C/C(=C/C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1)c1ccc(F)cc1 ZINC000236655494 960725334 /nfs/dbraw/zinc/72/53/34/960725334.db2.gz CXSMAUGJZJJLDT-LUJNMSEFSA-N -1 0 345.345 3.700 20 0 EHADRM Cc1cc2occ(CC(=O)N[C@@H]3CCC[C@@H]3C(=O)[O-])c2cc1C(C)C ZINC000236701221 960736051 /nfs/dbraw/zinc/73/60/51/960736051.db2.gz MMFAVOAVFJYFEJ-WMLDXEAASA-N -1 0 343.423 3.777 20 0 EHADRM Cc1cc(O[C@@H](C)C(=O)NCCCCCC(=O)[O-])ccc1C(C)C ZINC000236750035 960751850 /nfs/dbraw/zinc/75/18/50/960751850.db2.gz OTCAZKXUTBCVLX-HNNXBMFYSA-N -1 0 335.444 3.647 20 0 EHADRM CC[C@H](CNC(=O)NCc1ccc(C2CCCCC2)cc1)C(=O)[O-] ZINC001573797738 960783139 /nfs/dbraw/zinc/78/31/39/960783139.db2.gz BYPBGNXURGLBQJ-OAHLLOKOSA-N -1 0 332.444 3.644 20 0 EHADRM CCCC[C@H](NC(=O)C1c2ccccc2Oc2ccccc21)C(=O)[O-] ZINC000236868693 960783982 /nfs/dbraw/zinc/78/39/82/960783982.db2.gz FVKBTGXJELWJBY-HNNXBMFYSA-N -1 0 339.391 3.684 20 0 EHADRM CCCC[C@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC000236876736 960787318 /nfs/dbraw/zinc/78/73/18/960787318.db2.gz OKBOAQOOKNHGRV-ZDUSSCGKSA-N -1 0 335.787 3.973 20 0 EHADRM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])o1 ZINC000236906629 960796498 /nfs/dbraw/zinc/79/64/98/960796498.db2.gz VLMCVMRYYSDSBC-CABCVRRESA-N -1 0 327.380 3.776 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1nc(-c2ccccc2)oc1C1CC1 ZINC000236946220 960806039 /nfs/dbraw/zinc/80/60/39/960806039.db2.gz AHPPLNLGFAKZHB-LBPRGKRZSA-N -1 0 342.395 3.544 20 0 EHADRM CCN(Cc1ccccc1)C(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000236957838 960810398 /nfs/dbraw/zinc/81/03/98/960810398.db2.gz WZAQZPZZGJRHMR-AWEZNQCLSA-N -1 0 343.448 3.914 20 0 EHADRM CCN(CC(=O)[O-])C(=O)c1ccc(CSc2ccccc2)cc1 ZINC000236979601 960820975 /nfs/dbraw/zinc/82/09/75/960820975.db2.gz HVWJGVRRPITEBR-UHFFFAOYSA-N -1 0 329.421 3.526 20 0 EHADRM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000237015296 960835927 /nfs/dbraw/zinc/83/59/27/960835927.db2.gz FIGFOJNNSNWVBO-AWEZNQCLSA-N -1 0 333.771 3.834 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000237023234 960839479 /nfs/dbraw/zinc/83/94/79/960839479.db2.gz QNMODFIIIXKHAS-VFZGTOFNSA-N -1 0 348.226 3.520 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000237029772 960844108 /nfs/dbraw/zinc/84/41/08/960844108.db2.gz GTCNVPARBKLZRI-NSHDSACASA-N -1 0 331.334 3.522 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)CCc1ccc(-c2ccccc2F)o1 ZINC000237032513 960845015 /nfs/dbraw/zinc/84/50/15/960845015.db2.gz OSFAVOQWQGWXQN-CYBMUJFWSA-N -1 0 347.386 3.730 20 0 EHADRM Cc1nc2scc(-c3ccccc3)c2c(N2CCC[C@@H]2C(=O)[O-])n1 ZINC001262497582 960848789 /nfs/dbraw/zinc/84/87/89/960848789.db2.gz MEMBEWXKQYYYPI-CQSZACIVSA-N -1 0 339.420 3.720 20 0 EHADRM C[C@H](CC(F)(F)F)C(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1 ZINC001263631179 960884233 /nfs/dbraw/zinc/88/42/33/960884233.db2.gz JTXWQCUICKMPGV-YPMHNXCESA-N -1 0 337.382 3.895 20 0 EHADRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)c1ccc(CCC(F)(F)F)cc1 ZINC001263634578 960902189 /nfs/dbraw/zinc/90/21/89/960902189.db2.gz JAYGPVQFMOOTTQ-UONOGXRCSA-N -1 0 343.345 3.555 20 0 EHADRM CC[C@H](Sc1nc2sc(C)c(C)c2c(=O)n1C(C)C)C(=O)[O-] ZINC001573814838 960925702 /nfs/dbraw/zinc/92/57/02/960925702.db2.gz YXFXYIPTZLHJMS-JTQLQIEISA-N -1 0 340.470 3.611 20 0 EHADRM C[C@@H](CN(C)C(=O)c1cc(-c2ccccc2)nc2ccccc21)C(=O)[O-] ZINC000237410123 960929555 /nfs/dbraw/zinc/92/95/55/960929555.db2.gz PUTKIONEYFKLHQ-AWEZNQCLSA-N -1 0 348.402 3.695 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)CCCOc2ccc(C)c(C)c2)C1 ZINC001573820608 960950765 /nfs/dbraw/zinc/95/07/65/960950765.db2.gz QOWOHSQOOHTMSD-FQEVSTJZSA-N -1 0 347.455 3.566 20 0 EHADRM Cc1cc(/C=C/C(=O)NCCCC(=O)[O-])c(C)n1C1CCCCC1 ZINC000237537626 960955784 /nfs/dbraw/zinc/95/57/84/960955784.db2.gz CTAUDXXAKJIQHV-ZHACJKMWSA-N -1 0 332.444 3.604 20 0 EHADRM Cc1ccc2c(c1)N(C(=O)c1ccccc1S[C@@H](C)C(=O)[O-])CC2 ZINC000237550635 960957736 /nfs/dbraw/zinc/95/77/36/960957736.db2.gz WUSIICGDTHTGDB-ZDUSSCGKSA-N -1 0 341.432 3.763 20 0 EHADRM C[C@H](CN(C)C(=O)[C@@H](Sc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000237557224 960959821 /nfs/dbraw/zinc/95/98/21/960959821.db2.gz RKKRGTXIIPQXEA-PBHICJAKSA-N -1 0 343.448 3.699 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])o1)C(c1ccccc1)c1ccccc1 ZINC000237599821 960969547 /nfs/dbraw/zinc/96/95/47/960969547.db2.gz BRAFLYBOESJMNW-AWEZNQCLSA-N -1 0 349.386 3.928 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000237620830 960976281 /nfs/dbraw/zinc/97/62/81/960976281.db2.gz AVKXEMHMXFTRAT-OCCSQVGLSA-N -1 0 349.477 3.702 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1Cl ZINC000237674297 960992867 /nfs/dbraw/zinc/99/28/67/960992867.db2.gz KASDBYVLJHEYKN-MLGOLLRUSA-N -1 0 331.799 3.840 20 0 EHADRM Cc1[nH]c2ccc(C(=O)NCCCCCCCC(=O)[O-])cc2c1C ZINC000237699371 960999017 /nfs/dbraw/zinc/99/90/17/960999017.db2.gz NIUVFZHNZTYFSJ-UHFFFAOYSA-N -1 0 330.428 3.940 20 0 EHADRM CCc1oc2ccccc2c1C(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC001321954694 961007200 /nfs/dbraw/zinc/00/72/00/961007200.db2.gz ZHCRHQTWVZTNPD-BFUOFWGJSA-N -1 0 329.396 3.759 20 0 EHADRM CC[C@@H]1CCc2c(sc(NC(=O)CC[C@@H](C)OC)c2C(=O)[O-])C1 ZINC001573830384 961014268 /nfs/dbraw/zinc/01/42/68/961014268.db2.gz QLPPCQLVQKEAAE-GHMZBOCLSA-N -1 0 339.457 3.715 20 0 EHADRM Cc1ccc(CNC(=O)[C@H](C(=O)[O-])C2CC2)c(O[C@@H](C)CC(C)C)c1 ZINC001574366451 961038380 /nfs/dbraw/zinc/03/83/80/961038380.db2.gz GOPZVLBGTDBXDP-KBXCAEBGSA-N -1 0 347.455 3.535 20 0 EHADRM CCC[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccn1)c1ccc(F)cc1F ZINC001573835646 961047062 /nfs/dbraw/zinc/04/70/62/961047062.db2.gz FDZFHWGZEUNPHB-CQSZACIVSA-N -1 0 349.337 3.721 20 0 EHADRM CCC[C@@H]1[C@H](C)CCCN1C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001573840901 961072063 /nfs/dbraw/zinc/07/20/63/961072063.db2.gz JSSLHEMOWCAUKH-MDYRTPRTSA-N -1 0 346.471 3.639 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)CCCc2c[nH]c3ccccc23)C1 ZINC000238007109 961073714 /nfs/dbraw/zinc/07/37/14/961073714.db2.gz NCLCOCIRKBQYSF-OAHLLOKOSA-N -1 0 342.439 3.594 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2C[C@@H]3CCCC[C@@]32c2ccccc2)cc1 ZINC000238013992 961075025 /nfs/dbraw/zinc/07/50/25/961075025.db2.gz LZNPDGMCWPRLAF-GHTZIAJQSA-N -1 0 335.403 3.926 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCC2(c3cccs3)CCCCC2)o1 ZINC000238012179 961075182 /nfs/dbraw/zinc/07/51/82/961075182.db2.gz SREOVURKOMQLKU-UHFFFAOYSA-N -1 0 333.409 3.671 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000238022749 961079058 /nfs/dbraw/zinc/07/90/58/961079058.db2.gz DENYWKQRMBFKTM-MSOLQXFVSA-N -1 0 339.391 3.672 20 0 EHADRM O=C([O-])c1cccc(NC(=O)C(F)(F)c2ccc(Cl)cc2)c1 ZINC001326311225 961080788 /nfs/dbraw/zinc/08/07/88/961080788.db2.gz RIKGOZUFOPZQCU-UHFFFAOYSA-N -1 0 325.698 3.769 20 0 EHADRM Cc1ccc(NC(=O)c2coc(/C=C\C(=O)[O-])c2)cc1OC(F)F ZINC001574374750 961083658 /nfs/dbraw/zinc/08/36/58/961083658.db2.gz ADLLORBKTZONIA-PLNGDYQASA-N -1 0 337.278 3.540 20 0 EHADRM CC(C)c1ccc(C2(C(=O)N3CC[C@](C)(C(=O)[O-])C3)CCC2)cc1 ZINC001326429701 961094077 /nfs/dbraw/zinc/09/40/77/961094077.db2.gz JJZMUMSBOKYUSE-IBGZPJMESA-N -1 0 329.440 3.555 20 0 EHADRM CC(C)(C)O[C@H](C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccccc1 ZINC001588732334 961094343 /nfs/dbraw/zinc/09/43/43/961094343.db2.gz NUMZCWYVXBMALQ-YJBOKZPZSA-N -1 0 347.455 3.646 20 0 EHADRM Cc1ccc(Oc2ccccc2CC(=O)NCCCCC(=O)[O-])cc1 ZINC001574378592 961102073 /nfs/dbraw/zinc/10/20/73/961102073.db2.gz SCHSHWCPRICWDD-UHFFFAOYSA-N -1 0 341.407 3.701 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2cc(Cl)cc3cccnc32)cc1 ZINC000238127509 961118012 /nfs/dbraw/zinc/11/80/12/961118012.db2.gz KGRRJZJRNFLBLG-UHFFFAOYSA-N -1 0 340.766 3.516 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2cccc(OC(F)(F)F)c2)c1 ZINC000238131995 961120246 /nfs/dbraw/zinc/12/02/46/961120246.db2.gz XNQWEDPVKPYPCT-UHFFFAOYSA-N -1 0 325.242 3.536 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2cc3ccc(Cl)cc3[nH]2)c1 ZINC000238157978 961137123 /nfs/dbraw/zinc/13/71/23/961137123.db2.gz CPBHMEHGXYUIBY-UHFFFAOYSA-N -1 0 332.718 3.911 20 0 EHADRM Cc1cccc([C@H](NC(=O)/C=C/c2ccc(Cl)cc2)C(=O)[O-])c1 ZINC001574389612 961161715 /nfs/dbraw/zinc/16/17/15/961161715.db2.gz OHWSYUMFLZMZEJ-JEJOPICUSA-N -1 0 329.783 3.604 20 0 EHADRM C[C@@H](CC1CCCCC1)C(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC001327818465 961180282 /nfs/dbraw/zinc/18/02/82/961180282.db2.gz ILQWIIHNIMUFTH-YUTCNCBUSA-N -1 0 349.393 3.705 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000263213956 1125476775 /nfs/dbraw/zinc/47/67/75/1125476775.db2.gz ZNKCXEHNIBDWJN-RHSMWYFYSA-N -1 0 338.407 3.928 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001574401277 961229582 /nfs/dbraw/zinc/22/95/82/961229582.db2.gz DQJOZYODOYSNGC-SCLBCKFNSA-N -1 0 329.371 3.570 20 0 EHADRM Cc1csc(Nc2ccc(NC(=O)C3(C(=O)[O-])CC=CC3)cc2)n1 ZINC001574415836 961313469 /nfs/dbraw/zinc/31/34/69/961313469.db2.gz JWRCWGCMFWMSDM-UHFFFAOYSA-N -1 0 343.408 3.555 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000261692299 961387224 /nfs/dbraw/zinc/38/72/24/961387224.db2.gz NVQJFJQEDOEWAZ-QGZVFWFLSA-N -1 0 343.810 3.944 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)CCSc2ccc(Cl)cc2)C1 ZINC000261969605 961401842 /nfs/dbraw/zinc/40/18/42/961401842.db2.gz PWEPCENGWXAFSI-MRXNPFEDSA-N -1 0 341.860 3.536 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CCCOc1ccccc1C ZINC000261965797 961401901 /nfs/dbraw/zinc/40/19/01/961401901.db2.gz YIPOUPSOZZRAFM-UHFFFAOYSA-N -1 0 327.380 3.799 20 0 EHADRM Cc1cccc(C[C@@]2(C)CCCN2C(=O)c2ccc(C(=O)[O-])o2)c1 ZINC001331895552 961405068 /nfs/dbraw/zinc/40/50/68/961405068.db2.gz MDESVFCMRJRLTA-LJQANCHMSA-N -1 0 327.380 3.524 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@H]2CCC[C@H]2c2ccccc2)cc1C(=O)[O-] ZINC001332134092 961471433 /nfs/dbraw/zinc/47/14/33/961471433.db2.gz ZZBZYWSPRXRVOS-IRXDYDNUSA-N -1 0 341.407 3.829 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)CCc2ccccc2C(=O)[O-])c1C ZINC000262131077 961487523 /nfs/dbraw/zinc/48/75/23/961487523.db2.gz HMMSABUQMMMILW-HNNXBMFYSA-N -1 0 325.408 3.812 20 0 EHADRM Cc1oc(CNC(=O)c2ccc(SC(C)C)cc2)cc1C(=O)[O-] ZINC000262142623 961495279 /nfs/dbraw/zinc/49/52/79/961495279.db2.gz SDYBAQHLBVCEQB-UHFFFAOYSA-N -1 0 333.409 3.717 20 0 EHADRM Cc1ccccc1C1CCN(C(=O)Cc2cccc(C(=O)[O-])c2)CC1 ZINC000262155527 961505620 /nfs/dbraw/zinc/50/56/20/961505620.db2.gz NNKVWEPBUYVMJR-UHFFFAOYSA-N -1 0 337.419 3.642 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 ZINC001588809159 961507301 /nfs/dbraw/zinc/50/73/01/961507301.db2.gz CRFDNGSVMJADIY-HNNXBMFYSA-N -1 0 332.400 3.712 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)Cc1ccccc1C(=O)[O-] ZINC000262183792 961530951 /nfs/dbraw/zinc/53/09/51/961530951.db2.gz QHKQQBCYMMGYQH-ZDUSSCGKSA-N -1 0 345.826 3.670 20 0 EHADRM Cc1ccc(CCCC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000262196214 961541436 /nfs/dbraw/zinc/54/14/36/961541436.db2.gz VGNWCXCHGLAWDG-UHFFFAOYSA-N -1 0 337.419 3.601 20 0 EHADRM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(C(=O)[O-])n1 ZINC000262202430 961548458 /nfs/dbraw/zinc/54/84/58/961548458.db2.gz URIVJWUJTFNROY-MAUKXSAKSA-N -1 0 338.407 3.578 20 0 EHADRM CC(C)[C@@H](CNC(=O)N1CC(C)(C)C[C@H]1c1ccccc1)C(=O)[O-] ZINC001588821300 961621040 /nfs/dbraw/zinc/62/10/40/961621040.db2.gz GBOSLNKFSPCZIC-CVEARBPZSA-N -1 0 332.444 3.526 20 0 EHADRM CC(C)[C@@H](CNC(=O)N1CC(C)(C)C[C@@H]1c1ccccc1)C(=O)[O-] ZINC001588821302 961621255 /nfs/dbraw/zinc/62/12/55/961621255.db2.gz GBOSLNKFSPCZIC-HZPDHXFCSA-N -1 0 332.444 3.526 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)c1[nH]c2ccc(F)cc2c1Cl ZINC000262297199 961627555 /nfs/dbraw/zinc/62/75/55/961627555.db2.gz JJHURJBPGMZRFN-UHFFFAOYSA-N -1 0 340.782 3.533 20 0 EHADRM CCc1c(NC(=O)c2ccc(C(=O)[O-])cc2)cnn1-c1cccc(C)c1 ZINC001573952032 961646999 /nfs/dbraw/zinc/64/69/99/961646999.db2.gz AKSWVDDPZQWVFL-UHFFFAOYSA-N -1 0 349.390 3.694 20 0 EHADRM CC(C)[C@H](CNC(=O)N1CC[C@H](CC(C)(C)C)C1(C)C)C(=O)[O-] ZINC001588823344 961646943 /nfs/dbraw/zinc/64/69/43/961646943.db2.gz VIWXSCZYMSHMFI-KGLIPLIRSA-N -1 0 326.481 3.590 20 0 EHADRM CCc1ccc(C(C)(C)CNC(=O)[C@H](C(=O)[O-])C2CCCC2)cc1 ZINC001573955463 961667894 /nfs/dbraw/zinc/66/78/94/961667894.db2.gz XJDSYEBXUMZCTL-QGZVFWFLSA-N -1 0 331.456 3.534 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1ccc2c(c1)oc1ccccc12)C(=O)[O-] ZINC001588830256 961702496 /nfs/dbraw/zinc/70/24/96/961702496.db2.gz TXZHPHXQCMWXRF-OAHLLOKOSA-N -1 0 325.364 3.673 20 0 EHADRM C/C(=C\C(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1)c1cccc(F)c1 ZINC001333521623 961712268 /nfs/dbraw/zinc/71/22/68/961712268.db2.gz LFYLDWNSXUINKL-MDNBWPLSSA-N -1 0 341.382 3.870 20 0 EHADRM C/C(=C\C(=O)NCc1cc(C(=O)[O-])c(C)o1)c1ccccc1Cl ZINC001333551666 961717957 /nfs/dbraw/zinc/71/79/57/961717957.db2.gz LIXZVPTZEFZKRF-JXMROGBWSA-N -1 0 333.771 3.659 20 0 EHADRM CC(C)[C@@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC001588834066 961745595 /nfs/dbraw/zinc/74/55/95/961745595.db2.gz IIBMXOXAOHMRQT-QGZVFWFLSA-N -1 0 344.386 3.720 20 0 EHADRM CN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001573979288 961752900 /nfs/dbraw/zinc/75/29/00/961752900.db2.gz DFKJFRVDDUXXLM-XMTFNYHQSA-N -1 0 344.455 3.608 20 0 EHADRM CC(C)[C@@H](OC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(F)c(F)c1 ZINC001588835710 961765932 /nfs/dbraw/zinc/76/59/32/961765932.db2.gz LZEMDGMHYZDLGG-TYNCELHUSA-N -1 0 326.339 3.706 20 0 EHADRM CC(C)[C@@H]1CCc2nc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)sc2C1 ZINC001588840462 961789612 /nfs/dbraw/zinc/78/96/12/961789612.db2.gz HKNDBAKGEPYRGJ-MFKMUULPSA-N -1 0 338.473 3.589 20 0 EHADRM CC(C)[C@@H]1CCC[C@@H](NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1 ZINC001588841595 961807428 /nfs/dbraw/zinc/80/74/28/961807428.db2.gz MNGOZDPOSKDXFI-CQJMVSDSSA-N -1 0 338.492 3.636 20 0 EHADRM CN(C(=O)c1cc(-c2ccccn2)ccc1Cl)C(C)(C)CC(=O)[O-] ZINC001334656672 961808205 /nfs/dbraw/zinc/80/82/05/961808205.db2.gz NBUAGAWSXWQXHX-UHFFFAOYSA-N -1 0 346.814 3.727 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2ccc(-c3ccccc3Cl)o2)C1 ZINC000262703219 961814438 /nfs/dbraw/zinc/81/44/38/961814438.db2.gz ISDFCVTVZWNXBA-MNOVXSKESA-N -1 0 333.771 3.583 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)Nc2c(F)cc(Cl)cc2F)o1 ZINC001574513664 961825806 /nfs/dbraw/zinc/82/58/06/961825806.db2.gz LEZDRRPODFUSJB-RQOWECAXSA-N -1 0 327.670 3.561 20 0 EHADRM CCSCc1ccc(C(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])cc1 ZINC000262726756 961830517 /nfs/dbraw/zinc/83/05/17/961830517.db2.gz GSNQMPCSSTZAPM-YJBOKZPZSA-N -1 0 335.469 3.703 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2ccccc2Sc2ccccc2)C1 ZINC000262742735 961841421 /nfs/dbraw/zinc/84/14/21/961841421.db2.gz WQCYBSIBBDLUKX-KGLIPLIRSA-N -1 0 341.432 3.821 20 0 EHADRM CC[C@H](C)Oc1ccc(NC(=O)c2cccc(OCC(=O)[O-])c2)cc1 ZINC000262748476 961844986 /nfs/dbraw/zinc/84/49/86/961844986.db2.gz MINCEESQEUTATM-ZDUSSCGKSA-N -1 0 343.379 3.580 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1C(F)(F)F ZINC000262760337 961852934 /nfs/dbraw/zinc/85/29/34/961852934.db2.gz ZNXSJTACTLSILI-XYPYZODXSA-N -1 0 329.318 3.843 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC000262788784 961867535 /nfs/dbraw/zinc/86/75/35/961867535.db2.gz MWZOHDSIWBCZEY-UHFFFAOYSA-N -1 0 338.473 3.609 20 0 EHADRM O=C([O-])C1(NC(=O)CCCc2c(F)cccc2F)CCCCCC1 ZINC001574524594 961871062 /nfs/dbraw/zinc/87/10/62/961871062.db2.gz SVRUDLPMIGLUIC-UHFFFAOYSA-N -1 0 339.382 3.581 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)Cc2csc(C(C)(C)C)n2)c1 ZINC000262813655 961880380 /nfs/dbraw/zinc/88/03/80/961880380.db2.gz AGZXWKMIVCJIKR-NSHDSACASA-N -1 0 346.452 3.810 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000262829195 961893462 /nfs/dbraw/zinc/89/34/62/961893462.db2.gz BMAQTIQFQQDFJC-ZDUSSCGKSA-N -1 0 341.407 3.800 20 0 EHADRM COc1cc(NC(=O)CCCc2ccc(C)s2)ccc1C(=O)[O-] ZINC000262830195 961896905 /nfs/dbraw/zinc/89/69/05/961896905.db2.gz BFPWZFFNOMGPQY-UHFFFAOYSA-N -1 0 333.409 3.725 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N[C@H](C)c1c(F)cccc1Cl)C(=O)[O-] ZINC001588852416 961942503 /nfs/dbraw/zinc/94/25/03/961942503.db2.gz LMLIVSJWTMOQBK-MNOVXSKESA-N -1 0 344.814 3.586 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1cc(-c2ccccc2)ns1)C(=O)[O-] ZINC001588852957 961952067 /nfs/dbraw/zinc/95/20/67/961952067.db2.gz MEWLMTSBDIURBL-ZDUSSCGKSA-N -1 0 347.440 3.679 20 0 EHADRM C[C@H](CNC(=O)c1ccc(C(=O)[O-])o1)c1ccc(C(F)(F)F)cc1 ZINC000262880200 961953444 /nfs/dbraw/zinc/95/34/44/961953444.db2.gz GSRLHHKEUPUQMC-SECBINFHSA-N -1 0 341.285 3.530 20 0 EHADRM CN(Cc1ccc2ccccc2c1)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001574019765 961956709 /nfs/dbraw/zinc/95/67/09/961956709.db2.gz LCTGLZGNVSJLOV-UHFFFAOYSA-N -1 0 335.363 3.597 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1cccc(OC(C)(C)C)c1)C(=O)[O-] ZINC001588853262 961957837 /nfs/dbraw/zinc/95/78/37/961957837.db2.gz VQTDFEYZZHYXNG-CYBMUJFWSA-N -1 0 336.432 3.732 20 0 EHADRM COc1cc(NC(=O)c2cc(C)n(C(C)C)c2C)ccc1C(=O)[O-] ZINC000262883362 961957916 /nfs/dbraw/zinc/95/79/16/961957916.db2.gz HGODDLJWFQUHOQ-UHFFFAOYSA-N -1 0 330.384 3.645 20 0 EHADRM O=C([O-])C1(NC(=O)C2(Cc3ccccc3Cl)CC2)CCCCC1 ZINC001574549574 961966842 /nfs/dbraw/zinc/96/68/42/961966842.db2.gz DWGLFTDWNKXRJY-UHFFFAOYSA-N -1 0 335.831 3.566 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)[C@H](C(=O)[O-])C1 ZINC000262896232 961970344 /nfs/dbraw/zinc/97/03/44/961970344.db2.gz DHWOLQXYKKCQHL-PELKAZGASA-N -1 0 349.736 3.684 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)C2CCc3ccccc3CC2)c2ccccc21 ZINC001574556773 961990382 /nfs/dbraw/zinc/99/03/82/961990382.db2.gz DQOYINDSTYPCQC-WOJBJXKFSA-N -1 0 349.430 3.611 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)N(C)c1ccc(OCC(=O)[O-])cc1 ZINC000262930786 962013525 /nfs/dbraw/zinc/01/35/25/962013525.db2.gz FWHMFRBRHYNWTJ-HNNXBMFYSA-N -1 0 333.428 3.719 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1csc2c1CCCC2 ZINC000262943907 962029243 /nfs/dbraw/zinc/02/92/43/962029243.db2.gz MHURXEADYIDFIN-UHFFFAOYSA-N -1 0 331.393 3.586 20 0 EHADRM CC(C)(CCNC(=O)CCCOc1cccc2ccccc21)C(=O)[O-] ZINC000262972317 962060630 /nfs/dbraw/zinc/06/06/30/962060630.db2.gz KACYTNHIVKFHSP-UHFFFAOYSA-N -1 0 343.423 3.616 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000262999578 962093178 /nfs/dbraw/zinc/09/31/78/962093178.db2.gz QZMWVMVYRMPVAZ-NHYWBVRUSA-N -1 0 345.370 3.578 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])C2)c(Sc2ccccc2)c1 ZINC000263001698 962094742 /nfs/dbraw/zinc/09/47/42/962094742.db2.gz VCFWZJPCKPEZKC-CQSZACIVSA-N -1 0 341.432 3.693 20 0 EHADRM Cc1cc(NC(=O)N2CCC[C@H](C(=O)[O-])C2)ccc1-c1ccccc1 ZINC000263034784 962152270 /nfs/dbraw/zinc/15/22/70/962152270.db2.gz KZOAUVUYQGECOW-INIZCTEOSA-N -1 0 338.407 3.991 20 0 EHADRM CC(C)[C@@H](NC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC001343024104 962153781 /nfs/dbraw/zinc/15/37/81/962153781.db2.gz XMBOJEPBZPDXPO-CRAIPNDOSA-N -1 0 332.444 3.670 20 0 EHADRM CC[C@H](CN(CC)C(=O)c1c(C)coc1CC(=O)[O-])c1ccccc1 ZINC000263052727 962186246 /nfs/dbraw/zinc/18/62/46/962186246.db2.gz WPAUDOHIRWJTED-OAHLLOKOSA-N -1 0 343.423 3.871 20 0 EHADRM CSc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)c(Cl)cc1Cl ZINC000263057468 962193732 /nfs/dbraw/zinc/19/37/32/962193732.db2.gz AXYBQAPCKRCNRY-SFYZADRCSA-N -1 0 348.251 3.651 20 0 EHADRM CC(C)Sc1c(Cl)cccc1NC(=O)NCCCC(=O)[O-] ZINC000263060466 962199513 /nfs/dbraw/zinc/19/95/13/962199513.db2.gz OJRBQVWWZQACJR-UHFFFAOYSA-N -1 0 330.837 3.827 20 0 EHADRM CC(C)C[C@H](CNC(=O)NCCC1(c2ccccc2)CC1)CC(=O)[O-] ZINC001588892346 962204257 /nfs/dbraw/zinc/20/42/57/962204257.db2.gz ATWXYGIDUUMEEC-INIZCTEOSA-N -1 0 346.471 3.545 20 0 EHADRM CC(C)C[C@H](CNC(=O)NCC[C@H]1CCc2ccccc21)CC(=O)[O-] ZINC001588892478 962207672 /nfs/dbraw/zinc/20/76/72/962207672.db2.gz ONNAAOIZNRLUCD-DOTOQJQBSA-N -1 0 346.471 3.543 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000263085015 962230738 /nfs/dbraw/zinc/23/07/38/962230738.db2.gz ZNYYALCOHHABNA-ZIAGYGMSSA-N -1 0 335.444 3.940 20 0 EHADRM CC(C)CCCCCC(=O)N1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001345133829 962240134 /nfs/dbraw/zinc/24/01/34/962240134.db2.gz QWPOOGFSCCUFPB-UHFFFAOYSA-N -1 0 336.432 3.685 20 0 EHADRM CCCOc1cc(OC)ccc1C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000263114985 962268129 /nfs/dbraw/zinc/26/81/29/962268129.db2.gz JYYDJFTZABVIHF-UHFFFAOYSA-N -1 0 343.379 3.743 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@H](c1ccccc1)C1CC1 ZINC000263122075 962275592 /nfs/dbraw/zinc/27/55/92/962275592.db2.gz KQZHWSFFMLPFEO-LJQANCHMSA-N -1 0 339.391 3.591 20 0 EHADRM C[C@@H](Nc1ccc(NC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)cc1)c1ccccc1 ZINC001345782390 962296240 /nfs/dbraw/zinc/29/62/40/962296240.db2.gz FQYUECJNWVKFIA-BMFZPTHFSA-N -1 0 338.407 3.909 20 0 EHADRM Cc1cc(C)c(C(=O)N[C@@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])o1 ZINC000263162068 962312727 /nfs/dbraw/zinc/31/27/27/962312727.db2.gz VNIFHSQXKZRKLK-RDJZCZTQSA-N -1 0 341.407 3.590 20 0 EHADRM CCC[C@H](C)C(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC000263165453 962317742 /nfs/dbraw/zinc/31/77/42/962317742.db2.gz KBAMWQTXWBOSFF-NSHDSACASA-N -1 0 332.425 3.561 20 0 EHADRM CC(C)Cn1ccc2c1cccc2C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC001588911711 962321237 /nfs/dbraw/zinc/32/12/37/962321237.db2.gz PBRTXUKCUCPHMP-GJZGRUSLSA-N -1 0 342.439 3.623 20 0 EHADRM CC1(C)C[C@@H](C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)CCO1 ZINC001346300244 962337869 /nfs/dbraw/zinc/33/78/69/962337869.db2.gz GWKLSIYTSFOQCG-ZDUSSCGKSA-N -1 0 327.380 3.682 20 0 EHADRM Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000263188755 962343014 /nfs/dbraw/zinc/34/30/14/962343014.db2.gz IGBYBXCVMKHWMS-GHMZBOCLSA-N -1 0 330.384 3.612 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2nc(-c3cccs3)cs2)CC=CCC1 ZINC001574641104 962353209 /nfs/dbraw/zinc/35/32/09/962353209.db2.gz OJGKKAFCSIKSFQ-HNNXBMFYSA-N -1 0 334.422 3.621 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2nc3ccc(Cl)cc3s2)CC=CCC1 ZINC001574641326 962355755 /nfs/dbraw/zinc/35/57/55/962355755.db2.gz SNMGHRRXEIKMKW-OAHLLOKOSA-N -1 0 336.800 3.699 20 0 EHADRM CC[C@H](C(=O)Nc1ccc(CC(=O)[O-])c(F)c1)c1ccc(OC)cc1 ZINC000263211932 962367555 /nfs/dbraw/zinc/36/75/55/962367555.db2.gz NNORVBBBRVIBPB-INIZCTEOSA-N -1 0 345.370 3.594 20 0 EHADRM CC(C)c1cccc(O[C@H](C)C(=O)NCc2ccc(C(=O)[O-])s2)c1 ZINC000263272332 962410122 /nfs/dbraw/zinc/41/01/22/962410122.db2.gz WDFZGASZPNUZPQ-GFCCVEGCSA-N -1 0 347.436 3.653 20 0 EHADRM CCC[C@H](C(=O)N[C@](C)(CC(=O)[O-])c1cccc(OC)c1)C(C)C ZINC000263271380 962410158 /nfs/dbraw/zinc/41/01/58/962410158.db2.gz XNJVGZSSJWLPFE-QFBILLFUSA-N -1 0 335.444 3.574 20 0 EHADRM COC1(CC(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)CCC1 ZINC000263277585 962417976 /nfs/dbraw/zinc/41/79/76/962417976.db2.gz NQBKMYVZEAXYRS-MRXNPFEDSA-N -1 0 347.455 3.575 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)c1 ZINC000263292971 962431528 /nfs/dbraw/zinc/43/15/28/962431528.db2.gz MLJVKUHDRWFQMK-DRZCJDIDSA-N -1 0 345.345 3.895 20 0 EHADRM Cc1ccc(OCC(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)cc1C ZINC000263292996 962432727 /nfs/dbraw/zinc/43/27/27/962432727.db2.gz MMHAGORGMHZZFP-CQSZACIVSA-N -1 0 327.380 3.509 20 0 EHADRM O=C([O-])CCCCC(=O)N[C@H](COc1ccccc1)c1ccccc1 ZINC000263293357 962434417 /nfs/dbraw/zinc/43/44/17/962434417.db2.gz LWYSRASSIJRWOB-GOSISDBHSA-N -1 0 341.407 3.568 20 0 EHADRM Cc1ccc(CN(C(=O)Cc2ccc(C(=O)[O-])cc2)C2CC2)cc1C ZINC000263315315 962456675 /nfs/dbraw/zinc/45/66/75/962456675.db2.gz HLMAHHWTHWYGFM-UHFFFAOYSA-N -1 0 337.419 3.735 20 0 EHADRM O=C([O-])[C@@H](c1ccsc1)N1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC001349590892 962474541 /nfs/dbraw/zinc/47/45/41/962474541.db2.gz CJDJQDNOHJEKQV-ZWNOBZJWSA-N -1 0 343.857 3.662 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@H]2SCCc3ccccc32)cc1 ZINC000263356426 962511424 /nfs/dbraw/zinc/51/14/24/962511424.db2.gz XDSMJECRZZMILO-SJCJKPOMSA-N -1 0 341.432 3.844 20 0 EHADRM CC(C)Oc1ccc(F)cc1NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001588938018 962512282 /nfs/dbraw/zinc/51/22/82/962512282.db2.gz FINSALJFGGPVEX-XQRVVYSFSA-N -1 0 333.315 3.556 20 0 EHADRM CCO[C@@H](C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC000263357329 962514458 /nfs/dbraw/zinc/51/44/58/962514458.db2.gz XISIMOIVGYKIMF-CXAGYDPISA-N -1 0 327.380 3.591 20 0 EHADRM CN(C)c1ccc(C(F)(F)F)cc1NC1CCC(C(=O)[O-])CC1 ZINC000263473702 962660571 /nfs/dbraw/zinc/66/05/71/962660571.db2.gz LZSLJTUSBROUGR-UHFFFAOYSA-N -1 0 330.350 3.827 20 0 EHADRM O=C([O-])CC1CC(Nc2cccc(C[S@](=O)C3CCCCC3)c2)C1 ZINC001353922710 962681355 /nfs/dbraw/zinc/68/13/55/962681355.db2.gz QDUSZMWOBZPFPZ-NZPMRTKLSA-N -1 0 349.496 3.933 20 0 EHADRM C[C@H](CCC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000263517863 962698737 /nfs/dbraw/zinc/69/87/37/962698737.db2.gz FPGSRFZXPVSSCD-DNVCBOLYSA-N -1 0 337.419 3.781 20 0 EHADRM CCOc1ccccc1[C@H](CC)NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000263544025 962719936 /nfs/dbraw/zinc/71/99/36/962719936.db2.gz SFQSOARTVQMSFO-LZWOXQAQSA-N -1 0 333.428 3.544 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N1CCCC[C@H]1CCCc1ccccc1 ZINC000263562932 962731363 /nfs/dbraw/zinc/73/13/63/962731363.db2.gz DBHLFXBRKIYCGC-OKZBNKHCSA-N -1 0 329.440 3.501 20 0 EHADRM CCCN(CCc1cccs1)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000263574106 962739827 /nfs/dbraw/zinc/73/98/27/962739827.db2.gz NHZDEZFWJRAXDW-UHFFFAOYSA-N -1 0 335.400 3.680 20 0 EHADRM Cc1oc2ccccc2c1CNC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001356631550 962750044 /nfs/dbraw/zinc/75/00/44/962750044.db2.gz FUUQMXAAOQLYHA-AWEZNQCLSA-N -1 0 344.411 3.528 20 0 EHADRM CC(C)n1ncc2cc(NC(=O)/C=C/c3ccc(C(=O)[O-])o3)ccc21 ZINC001588987387 962763413 /nfs/dbraw/zinc/76/34/13/962763413.db2.gz YRESXJLZFWHRGE-VMPITWQZSA-N -1 0 339.351 3.560 20 0 EHADRM CCc1ccc2c(c1)CCN(C(=O)C13CCC(C(=O)[O-])(CC1)CC3)C2 ZINC001520204629 962851266 /nfs/dbraw/zinc/85/12/66/962851266.db2.gz BKOSFVCXTNNAFB-UHFFFAOYSA-N -1 0 341.451 3.559 20 0 EHADRM O=C([O-])COc1cccc(C(=O)Nc2cccc(Cl)c2Cl)c1 ZINC001574737727 962860149 /nfs/dbraw/zinc/86/01/49/962860149.db2.gz TZSWVKRHZWOWSG-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM COc1ccc(NC(=O)Cc2ccccc2C(=O)[O-])c2ccccc12 ZINC001574216723 962940194 /nfs/dbraw/zinc/94/01/94/962940194.db2.gz FMEXRKJFEMUXFD-UHFFFAOYSA-N -1 0 335.359 3.728 20 0 EHADRM CC1(C)[C@H](NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)[C@H]1c1ccccc1 ZINC001550378987 963000782 /nfs/dbraw/zinc/00/07/82/963000782.db2.gz JOMNTJFZOQLNBU-AJHHTPGJSA-N -1 0 341.451 3.720 20 0 EHADRM CC(C)(C)C(=O)Nc1ccccc1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001573389539 963125251 /nfs/dbraw/zinc/12/52/51/963125251.db2.gz BJQPKNQRHSDOGH-UHFFFAOYSA-N -1 0 340.379 3.622 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2CCCOCc1ccccc1 ZINC000310197932 963390807 /nfs/dbraw/zinc/39/08/07/963390807.db2.gz BHDKPSGWMGRJDE-UHFFFAOYSA-N -1 0 325.408 3.744 20 0 EHADRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)[C@@H](C)C(C)C ZINC000311978500 963526669 /nfs/dbraw/zinc/52/66/69/963526669.db2.gz OEOKKNOFEYOJOF-VIFPVBQESA-N -1 0 328.206 3.686 20 0 EHADRM O=C([O-])c1ccoc1COc1ccc(Br)c(Cl)c1 ZINC000313507038 963651248 /nfs/dbraw/zinc/65/12/48/963651248.db2.gz YAAHOGJLZPZDDS-UHFFFAOYSA-N -1 0 331.549 3.973 20 0 EHADRM Cc1ccc(CCC(=O)NCCCCCCC(=O)[O-])cc1Cl ZINC000314325887 963740858 /nfs/dbraw/zinc/74/08/58/963740858.db2.gz ZSOSBVWWXRCMEX-UHFFFAOYSA-N -1 0 325.836 3.732 20 0 EHADRM C[C@H](NC(=O)c1cccc(C(=O)[O-])n1)c1ccc(Cl)cc1Cl ZINC000314371866 963745251 /nfs/dbraw/zinc/74/52/51/963745251.db2.gz RRYIBVFQKQPOMS-QMMMGPOBSA-N -1 0 339.178 3.578 20 0 EHADRM C[C@H](NCc1cccc(C(F)(F)F)c1)c1ncc(C(=O)[O-])s1 ZINC000314731101 963799274 /nfs/dbraw/zinc/79/92/74/963799274.db2.gz AFWVRANGMMPPEQ-QMMMGPOBSA-N -1 0 330.331 3.711 20 0 EHADRM COc1cc(Cl)ccc1C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000314780250 963809246 /nfs/dbraw/zinc/80/92/46/963809246.db2.gz BEXBFRLRWTUNKC-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM O=C([O-])CN(C(=O)CCc1ccc(Cl)cc1Cl)C1CCCC1 ZINC000315319579 963880400 /nfs/dbraw/zinc/88/04/00/963880400.db2.gz UHARSSZBMKQVAB-UHFFFAOYSA-N -1 0 344.238 3.782 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)c1nccs1 ZINC000315894034 963948634 /nfs/dbraw/zinc/94/86/34/963948634.db2.gz OSEQSCWTSADFMC-LLVKDONJSA-N -1 0 339.804 3.768 20 0 EHADRM Cc1cc(C(=O)[O-])c(NC(=O)c2ccccc2OC(F)F)s1 ZINC000316083656 963974480 /nfs/dbraw/zinc/97/44/80/963974480.db2.gz QSRDGPRQJDIKMD-UHFFFAOYSA-N -1 0 327.308 3.608 20 0 EHADRM O=C([O-])c1cccc(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2)n1 ZINC000316366783 964006019 /nfs/dbraw/zinc/00/60/19/964006019.db2.gz UMSURDZEOBHCAW-SNAWJCMRSA-N -1 0 337.162 3.739 20 0 EHADRM O=C([O-])c1cccc(NC(=O)/C=C\c2cc(Cl)cc(Cl)c2)n1 ZINC000316366782 964006249 /nfs/dbraw/zinc/00/62/49/964006249.db2.gz UMSURDZEOBHCAW-PLNGDYQASA-N -1 0 337.162 3.739 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(Cc2cc(Br)ccc2F)C1 ZINC000043585431 967526260 /nfs/dbraw/zinc/52/62/60/967526260.db2.gz OWZGTNRQQZZSHK-NSHDSACASA-N -1 0 344.224 3.665 20 0 EHADRM Cc1cccc(NC(=O)NC(C)(C)CCC(=O)[O-])c1Br ZINC000131759342 967629414 /nfs/dbraw/zinc/62/94/14/967629414.db2.gz ZZDKDDDLFCKIJO-UHFFFAOYSA-N -1 0 343.221 3.522 20 0 EHADRM CC[C@H](CC(=O)NCC(CC)(CC)C(=O)[O-])c1ccc(OC)cc1 ZINC000192904123 967683419 /nfs/dbraw/zinc/68/34/19/967683419.db2.gz ZMOKLFMNSMUOSX-CQSZACIVSA-N -1 0 335.444 3.586 20 0 EHADRM C[C@@H](C(=O)N([C@@H](C)C(=O)[O-])C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000262566413 967823179 /nfs/dbraw/zinc/82/31/79/967823179.db2.gz BKGYSRZQHIUWKY-BDAKNGLRSA-N -1 0 330.211 3.561 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000262679523 967825385 /nfs/dbraw/zinc/82/53/85/967825385.db2.gz ZJBIATYILNFMFD-WDEREUQCSA-N -1 0 343.345 3.663 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc(-c3ccco3)cc2F)C1 ZINC000263034946 967839465 /nfs/dbraw/zinc/83/94/65/967839465.db2.gz BQVKUBFOCZLYBU-AAEUAGOBSA-N -1 0 346.358 3.660 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])C[N@H+](Cc2ccc(Br)c(Cl)c2)C1 ZINC000263061043 967841269 /nfs/dbraw/zinc/84/12/69/967841269.db2.gz MSKHCZWPOXPARC-GXSJLCMTSA-N -1 0 346.652 3.645 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000263069808 967842722 /nfs/dbraw/zinc/84/27/22/967842722.db2.gz UBZILNNYTAAFBK-ZYHUDNBSSA-N -1 0 341.860 3.635 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)N(C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000263385007 967884459 /nfs/dbraw/zinc/88/44/59/967884459.db2.gz POPJFRUISCWITP-KSSFIOAISA-N -1 0 338.407 3.678 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000375354412 968062585 /nfs/dbraw/zinc/06/25/85/968062585.db2.gz FAUZBQIYAXPZCH-UHFFFAOYSA-N -1 0 337.419 3.724 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)NCCCCCC(=O)[O-] ZINC000414630902 968339112 /nfs/dbraw/zinc/33/91/12/968339112.db2.gz VCWAHXOSNFBWSP-VYDXJSESSA-N -1 0 332.444 3.608 20 0 EHADRM CC(C)[C@@H](NC(=O)N(C)CCCC(=O)[O-])c1ccc(Cl)cc1F ZINC000414648948 968341889 /nfs/dbraw/zinc/34/18/89/968341889.db2.gz VDONGGGAJIKGCW-OAHLLOKOSA-N -1 0 344.814 3.682 20 0 EHADRM CC[C@@H](NC(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1cc(C)ccc1C ZINC000529224542 968394464 /nfs/dbraw/zinc/39/44/64/968394464.db2.gz DZRADZOBIIQDRK-DOTOQJQBSA-N -1 0 332.444 3.651 20 0 EHADRM CC[C@@H](NC(=O)N1CCC[C@H](CC(=O)[O-])C1)c1cc(C)ccc1C ZINC000529224543 968395233 /nfs/dbraw/zinc/39/52/33/968395233.db2.gz DZRADZOBIIQDRK-NVXWUHKLSA-N -1 0 332.444 3.651 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000533189996 968401225 /nfs/dbraw/zinc/40/12/25/968401225.db2.gz YNLDKTBVSUUZPH-NSHDSACASA-N -1 0 335.400 3.676 20 0 EHADRM Cc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1C(F)(F)F ZINC000580193388 968472909 /nfs/dbraw/zinc/47/29/09/968472909.db2.gz ZMQXEQQKCWOMIJ-SKDRFNHKSA-N -1 0 344.333 3.588 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cc2F)CC[C@H]1C(=O)[O-] ZINC000630568197 968538882 /nfs/dbraw/zinc/53/88/82/968538882.db2.gz NXBVFTCVDCBXSW-HTQZYQBOSA-N -1 0 349.189 3.707 20 0 EHADRM CC[C@@H](CNC(=O)c1cc(C2CC2)nc2ccc(Cl)cc21)C(=O)[O-] ZINC000649264325 968587261 /nfs/dbraw/zinc/58/72/61/968587261.db2.gz YCGYUHYQEWRQRV-JTQLQIEISA-N -1 0 346.814 3.606 20 0 EHADRM O=C([O-])[C@H](C(=O)N1CC[C@H](CSc2ccccc2)C1)C1CCCC1 ZINC000656851442 968722090 /nfs/dbraw/zinc/72/20/90/968722090.db2.gz BENZMJSVFUKJCB-YOEHRIQHSA-N -1 0 347.480 3.518 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1C[C@H](C)[C@H]1c1ccccc1)CC(=O)[O-] ZINC000659418116 968738554 /nfs/dbraw/zinc/73/85/54/968738554.db2.gz YSOZGKGBZWJNKE-MPGHIAIKSA-N -1 0 332.444 3.526 20 0 EHADRM C/C(=C\C(=O)N1CCC[C@]1(C)C(=O)[O-])c1ccccc1C(F)(F)F ZINC000823338258 969203729 /nfs/dbraw/zinc/20/37/29/969203729.db2.gz IPJCKJLMHQVPMF-SIFUEBAJSA-N -1 0 341.329 3.574 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Nc1ccccc1OCC1CC1 ZINC000899311917 969418876 /nfs/dbraw/zinc/41/88/76/969418876.db2.gz SNYCWWRTQDRAPX-HNNXBMFYSA-N -1 0 346.427 3.727 20 0 EHADRM CSc1ccc(/C=C/C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)s1 ZINC000901575024 969440881 /nfs/dbraw/zinc/44/08/81/969440881.db2.gz KLIOVVUBJFEUHN-PZBABLGHSA-N -1 0 339.482 3.587 20 0 EHADRM CSc1ccc(/C=C/C(=O)N2CCC[C@H](CCC(=O)[O-])C2)s1 ZINC000901575022 969441257 /nfs/dbraw/zinc/44/12/57/969441257.db2.gz KLIOVVUBJFEUHN-HOSRBBHYSA-N -1 0 339.482 3.587 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2cc3ccccc3cc2F)C1 ZINC000901574590 969441339 /nfs/dbraw/zinc/44/13/39/969441339.db2.gz ZJJJLJVEKAGYOO-CYBMUJFWSA-N -1 0 329.371 3.696 20 0 EHADRM C[C@@H](NC(=O)c1cscc1C(F)F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000902025085 969508535 /nfs/dbraw/zinc/50/85/35/969508535.db2.gz DAQNJWIKEGQCAB-PPKCKEKNSA-N -1 0 331.384 3.551 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2cscc2C(F)F)Cc2ccccc21 ZINC000902070089 969513913 /nfs/dbraw/zinc/51/39/13/969513913.db2.gz QZHCYAJYBAOTAO-NSHDSACASA-N -1 0 337.347 3.510 20 0 EHADRM C[C@@H](NC(=O)[C@@H](C(=O)[O-])C1CCCC1)c1nc(C(C)(C)C)cs1 ZINC001350421200 969770237 /nfs/dbraw/zinc/77/02/37/969770237.db2.gz DFORVTANHOVMQX-MFKMUULPSA-N -1 0 338.473 3.509 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC001606546121 970313386 /nfs/dbraw/zinc/31/33/86/970313386.db2.gz GTRCXTZYYOJACC-HZPDHXFCSA-N -1 0 332.359 3.675 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2cccc(Cl)c2F)CCCCC1 ZINC000317054684 970323234 /nfs/dbraw/zinc/32/32/34/970323234.db2.gz XIXXADSVJNXHRI-UHFFFAOYSA-N -1 0 328.771 3.636 20 0 EHADRM O=C([O-])c1ccc(C(=O)Oc2cccc(OCc3ccccc3)c2)cn1 ZINC001606552072 970327065 /nfs/dbraw/zinc/32/70/65/970327065.db2.gz FHDMTQZJNGRGHE-UHFFFAOYSA-N -1 0 349.342 3.578 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)NCc2cc3ccccc3[nH]2)c1 ZINC001608740017 970412549 /nfs/dbraw/zinc/41/25/49/970412549.db2.gz YDTZYBVTVURRFE-UHFFFAOYSA-N -1 0 337.379 3.507 20 0 EHADRM O=C([O-])[C@@H](CC1CC1)NC(=O)CCCSc1ccc(Cl)cc1 ZINC000319459643 970537131 /nfs/dbraw/zinc/53/71/31/970537131.db2.gz UVGHTXQMGLMRPM-CQSZACIVSA-N -1 0 341.860 3.582 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)Cn2ccc3ccccc32)c1 ZINC000319562918 970548340 /nfs/dbraw/zinc/54/83/40/970548340.db2.gz PPTLEEWUJSMEFG-UHFFFAOYSA-N -1 0 328.755 3.632 20 0 EHADRM C[C@H](CC(=O)Nc1cccc(CCC(=O)[O-])c1)C(=O)c1ccccc1 ZINC001609865062 970557029 /nfs/dbraw/zinc/55/70/29/970557029.db2.gz MCUUTHQLJOCSRQ-CQSZACIVSA-N -1 0 339.391 3.551 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000319739230 970567061 /nfs/dbraw/zinc/56/70/61/970567061.db2.gz CUFZZBKFOQJCPS-UONOGXRCSA-N -1 0 330.409 3.640 20 0 EHADRM Cc1sc(NC(=O)[C@H](C)Oc2ccc(F)cc2)c(C(=O)[O-])c1C ZINC000320085015 970611759 /nfs/dbraw/zinc/61/17/59/970611759.db2.gz WOERSWOFROPCMJ-VIFPVBQESA-N -1 0 337.372 3.608 20 0 EHADRM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000320245246 970637027 /nfs/dbraw/zinc/63/70/27/970637027.db2.gz ZDCJSIXVXQQWMB-SECBINFHSA-N -1 0 337.734 3.583 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000320516533 970673016 /nfs/dbraw/zinc/67/30/16/970673016.db2.gz LMYICNWELMNKHK-NXEZZACHSA-N -1 0 326.343 3.611 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)[C@H]1CCCC(F)(F)C1)c1ccccc1 ZINC000320592586 970683180 /nfs/dbraw/zinc/68/31/80/970683180.db2.gz QRHFWGMBARMLNE-UONOGXRCSA-N -1 0 325.355 3.534 20 0 EHADRM Cc1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c(C(=O)[O-])c1 ZINC000320672498 970696970 /nfs/dbraw/zinc/69/69/70/970696970.db2.gz NLKZIRGCPMWJSK-NSHDSACASA-N -1 0 333.771 3.753 20 0 EHADRM C[C@H]1CCc2sc(C(=O)N[C@@H](C(=O)[O-])C3CCCCC3)cc2C1 ZINC000320698962 970700946 /nfs/dbraw/zinc/70/09/46/970700946.db2.gz DEBQRBJFIFHCPC-MEDUHNTESA-N -1 0 335.469 3.636 20 0 EHADRM C[C@H](Oc1cccc(F)c1)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000320741783 970709300 /nfs/dbraw/zinc/70/93/00/970709300.db2.gz YXDUWRXNXZELRQ-VIFPVBQESA-N -1 0 337.734 3.583 20 0 EHADRM CC[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000320780298 970714440 /nfs/dbraw/zinc/71/44/40/970714440.db2.gz HUPDSPHSECDQPS-ZANVPECISA-N -1 0 326.343 3.753 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)c1ccccc1NCc1ccccc1Cl ZINC001599834133 970717440 /nfs/dbraw/zinc/71/74/40/970717440.db2.gz IKKGXHLJLZUJLS-LBPRGKRZSA-N -1 0 346.814 3.545 20 0 EHADRM Cc1ccc(NC(=O)NCCc2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000320806551 970717675 /nfs/dbraw/zinc/71/76/75/970717675.db2.gz KOIJHCBAIYFNHR-UHFFFAOYSA-N -1 0 332.787 3.711 20 0 EHADRM C[C@@H]1c2ccsc2CCN1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000321100651 970743340 /nfs/dbraw/zinc/74/33/40/970743340.db2.gz IAYQZAKDPKOTDT-SECBINFHSA-N -1 0 334.372 3.737 20 0 EHADRM COc1ccccc1SCCOc1ccc(/C=C/C(=O)[O-])cc1 ZINC000321269073 970756274 /nfs/dbraw/zinc/75/62/74/970756274.db2.gz GMGXDVDBKQGDBK-DHZHZOJOSA-N -1 0 330.405 3.964 20 0 EHADRM CN(CCC(=O)[O-])C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001604133912 972543375 /nfs/dbraw/zinc/54/33/75/972543375.db2.gz MLIQSWUFWGSYKK-KRWDZBQOSA-N -1 0 346.814 3.546 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC001603292988 972562178 /nfs/dbraw/zinc/56/21/78/972562178.db2.gz SNRHZBSNRHNWJD-IBGZPJMESA-N -1 0 343.354 3.697 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 ZINC001605004969 972608185 /nfs/dbraw/zinc/60/81/85/972608185.db2.gz BSTPBXQDGQNMOX-BDJLRTHQSA-N -1 0 328.412 3.543 20 0 EHADRM C[C@H]1c2ccccc2C[C@H]1NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001605062675 972674690 /nfs/dbraw/zinc/67/46/90/972674690.db2.gz AVNRBZMZXGISAI-SCLBCKFNSA-N -1 0 338.407 3.554 20 0 EHADRM CC1(C)CC[C@H](NC(=O)N2CCC[C@H](CC(=O)[O-])C2)c2ccccc21 ZINC001603327858 972676017 /nfs/dbraw/zinc/67/60/17/972676017.db2.gz POWVTHJFKFFISU-PBHICJAKSA-N -1 0 344.455 3.695 20 0 EHADRM O=C([O-])[C@H](C(=O)N[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC001605893357 972701975 /nfs/dbraw/zinc/70/19/75/972701975.db2.gz WVYXLJOVAHFJBD-IMJJTQAJSA-N -1 0 335.831 3.593 20 0 EHADRM C[C@@]1(CCc2ccccc2)CCN(C(=O)[C@@]2(C(=O)[O-])CC=CCC2)C1 ZINC001603339432 972719750 /nfs/dbraw/zinc/71/97/50/972719750.db2.gz CRUIYFLXUBADCP-NHCUHLMSSA-N -1 0 341.451 3.669 20 0 EHADRM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC001605091211 972734507 /nfs/dbraw/zinc/73/45/07/972734507.db2.gz DLMSUSLXOMSBLG-SUYBPPKGSA-N -1 0 332.444 3.529 20 0 EHADRM C[C@H](Nc1cccc(C(=O)[O-])c1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000395264913 972783994 /nfs/dbraw/zinc/78/39/94/972783994.db2.gz YZNSATYNEVBBHJ-XJKSGUPXSA-N -1 0 348.443 3.975 20 0 EHADRM COc1ccc(CN(C)C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cc1 ZINC000396351224 972861875 /nfs/dbraw/zinc/86/18/75/972861875.db2.gz ATNONLFOZQOEBP-CYBMUJFWSA-N -1 0 342.395 3.547 20 0 EHADRM Cc1csc([C@@H](C)NC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)n1 ZINC000396422070 972879270 /nfs/dbraw/zinc/87/92/70/972879270.db2.gz DZEYXRNMXSSGDY-GHMZBOCLSA-N -1 0 333.413 3.522 20 0 EHADRM C[C@@H](Cc1ccsc1)NC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000396449508 972891874 /nfs/dbraw/zinc/89/18/74/972891874.db2.gz RCBXMICBLMAEIE-RYUDHWBXSA-N -1 0 332.425 3.689 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cc(Cl)c(Cl)[nH]2)cc1 ZINC000396549028 972916027 /nfs/dbraw/zinc/91/60/27/972916027.db2.gz FWAHAXRUIFDZNJ-SSDOTTSWSA-N -1 0 327.167 3.762 20 0 EHADRM Cc1cc(NC(=O)N2CCC(c3ccco3)CC2)ccc1C(=O)[O-] ZINC001605201408 972931043 /nfs/dbraw/zinc/93/10/43/972931043.db2.gz ITKSHQILHZIEGF-UHFFFAOYSA-N -1 0 328.368 3.698 20 0 EHADRM O=C([O-])C1(c2noc(-c3cc4ccnc(Cl)c4s3)n2)CCC1 ZINC001605962035 972935756 /nfs/dbraw/zinc/93/57/56/972935756.db2.gz XDGNVKCBMUJHGV-UHFFFAOYSA-N -1 0 335.772 3.506 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NC[C@@H](C)CC(F)(F)F)cc1 ZINC000396900048 972948962 /nfs/dbraw/zinc/94/89/62/972948962.db2.gz CQEYJSPUJBSXMC-VHSXEESVSA-N -1 0 332.322 3.585 20 0 EHADRM Cc1ccc(-c2ncccc2NC(=O)N[C@H](CC(C)C)C(=O)[O-])s1 ZINC001605237609 972991807 /nfs/dbraw/zinc/99/18/07/972991807.db2.gz FXSDZHUKPOTLJF-CYBMUJFWSA-N -1 0 347.440 3.739 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001603389105 973000613 /nfs/dbraw/zinc/00/06/13/973000613.db2.gz XGDHCYAJGHRFOM-WPRPVWTQSA-N -1 0 349.736 3.684 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001603389102 973001123 /nfs/dbraw/zinc/00/11/23/973001123.db2.gz XGDHCYAJGHRFOM-PSASIEDQSA-N -1 0 349.736 3.684 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001603391248 973007437 /nfs/dbraw/zinc/00/74/37/973007437.db2.gz GRZVZUUDNVTHKJ-YYIAUSFCSA-N -1 0 338.492 3.591 20 0 EHADRM Cc1ccc(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc1-n1cccc1 ZINC001605250438 973013765 /nfs/dbraw/zinc/01/37/65/973013765.db2.gz UCRKFWDUWTXSAL-NRFANRHFSA-N -1 0 348.402 3.516 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)c2cccc(-c3cnco3)c2)c2ccccc21 ZINC001606008352 973104857 /nfs/dbraw/zinc/10/48/57/973104857.db2.gz RYQFKASTTLVRGF-INIZCTEOSA-N -1 0 348.358 3.560 20 0 EHADRM Cc1ccc(OC(=O)c2coc(C=CC(=O)[O-])c2)c2c1[C@@H](C)CC2=O ZINC001605297051 973110288 /nfs/dbraw/zinc/11/02/88/973110288.db2.gz UJINLTXJGYHANS-MALLOTDXSA-N -1 0 340.331 3.595 20 0 EHADRM C[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C[C@H]1C(=O)[O-] ZINC001603416635 973117557 /nfs/dbraw/zinc/11/75/57/973117557.db2.gz VOLWWFDNFUCILR-CZUORRHYSA-N -1 0 349.858 3.721 20 0 EHADRM Cc1ccc2c(CC(=O)Nc3ccc(O)c(C(=O)[O-])c3)coc2c1C ZINC001605310154 973135028 /nfs/dbraw/zinc/13/50/28/973135028.db2.gz OCEIHFFYJHDFAC-UHFFFAOYSA-N -1 0 339.347 3.635 20 0 EHADRM C[C@H](c1ccc(C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1)C(F)(F)F ZINC001603425103 973142933 /nfs/dbraw/zinc/14/29/33/973142933.db2.gz DPDWVAOTTXYPPI-GYSYKLTISA-N -1 0 343.345 3.535 20 0 EHADRM Cc1cccc([C@@H](NC(=O)Nc2cnc(C(F)F)c(C)c2)C(=O)[O-])c1 ZINC001605327237 973166332 /nfs/dbraw/zinc/16/63/32/973166332.db2.gz BZTABKNVRXKHKE-CQSZACIVSA-N -1 0 349.337 3.583 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)Nc2cc(C(F)F)ccc2F)co1 ZINC001606064636 973202961 /nfs/dbraw/zinc/20/29/61/973202961.db2.gz OFDNLIDZJJTUBW-RQOWECAXSA-N -1 0 325.242 3.706 20 0 EHADRM C[C@H]1CN(C(=O)CCCCc2ccc(Cl)cc2)CC[C@@H]1C(=O)[O-] ZINC001603439567 973217239 /nfs/dbraw/zinc/21/72/39/973217239.db2.gz LZPVMTQPMSJERD-BBRMVZONSA-N -1 0 337.847 3.622 20 0 EHADRM Cc1cccc(OC(F)F)c1NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001605345383 973240992 /nfs/dbraw/zinc/24/09/92/973240992.db2.gz USHATUUEYPKANW-VURMDHGXSA-N -1 0 337.278 3.540 20 0 EHADRM Cc1ccccc1-c1cnc(CN[C@](C)(C(=O)[O-])c2ccccc2)o1 ZINC001605351338 973257064 /nfs/dbraw/zinc/25/70/64/973257064.db2.gz JYRBSTDASJDRMB-FQEVSTJZSA-N -1 0 336.391 3.740 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)c1sc2cccc(F)c2c1C)C(=O)[O-] ZINC000400707462 973310234 /nfs/dbraw/zinc/31/02/34/973310234.db2.gz GXQHAMGCTIFELT-SKDRFNHKSA-N -1 0 337.416 3.968 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccc(F)cc1C(F)(F)F ZINC001606118892 973359887 /nfs/dbraw/zinc/35/98/87/973359887.db2.gz XAJFMNVWHJCBDS-LLVKDONJSA-N -1 0 347.308 3.704 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)c1cc(Cl)nc(C(C)(C)C)c1)C(=O)[O-] ZINC000401426608 973364742 /nfs/dbraw/zinc/36/47/42/973364742.db2.gz GQKVMZRPWRSSLZ-NSHDSACASA-N -1 0 340.851 3.652 20 0 EHADRM C/C=C/COc1cccc(CC(=O)OCc2ccc(C(=O)[O-])cc2)c1 ZINC001603481888 973391729 /nfs/dbraw/zinc/39/17/29/973391729.db2.gz GPAWKPWXQIGGSW-NSCUHMNNSA-N -1 0 340.375 3.626 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])cc1 ZINC001603544649 973601797 /nfs/dbraw/zinc/60/17/97/973601797.db2.gz LBLXSZAAKMUSSG-GUYCJALGSA-N -1 0 333.428 3.579 20 0 EHADRM CC[C@@H](CNC(=O)C(CC)(CC)C(=O)[O-])Oc1cccc(Cl)c1 ZINC001603549814 973613867 /nfs/dbraw/zinc/61/38/67/973613867.db2.gz CMZAKNACHUIBAF-ZDUSSCGKSA-N -1 0 341.835 3.505 20 0 EHADRM CC[C@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1C)CC(F)(F)F ZINC000402543439 973622958 /nfs/dbraw/zinc/62/29/58/973622958.db2.gz YHTOZLKDJKTJDO-JTQLQIEISA-N -1 0 332.322 3.793 20 0 EHADRM CC[C@H](CNC(=O)NCC1(c2ccc(C)cc2C)CCCC1)C(=O)[O-] ZINC001603561485 973676876 /nfs/dbraw/zinc/67/68/76/973676876.db2.gz NOKWVWIRZWBQHR-MRXNPFEDSA-N -1 0 346.471 3.525 20 0 EHADRM Cn1ccc(C(=O)Nc2sccc2C(=O)[O-])c1-c1ccccc1 ZINC001605505403 973679087 /nfs/dbraw/zinc/67/90/87/973679087.db2.gz FSBICWPUWQUAAP-UHFFFAOYSA-N -1 0 326.377 3.704 20 0 EHADRM CC[C@@H](CNC(=O)c1cccc(C(=O)[O-])c1)Oc1cccc(Cl)c1 ZINC001603567809 973699363 /nfs/dbraw/zinc/69/93/63/973699363.db2.gz IWEOGEMMJVOQHE-HNNXBMFYSA-N -1 0 347.798 3.626 20 0 EHADRM CC[C@H](CSc1ccccc1)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001603575570 973723631 /nfs/dbraw/zinc/72/36/31/973723631.db2.gz VCMMUWXRDFDLTC-OAHLLOKOSA-N -1 0 329.421 3.686 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC001606318126 973732434 /nfs/dbraw/zinc/73/24/34/973732434.db2.gz JCKFZGUGUQZOHL-KRWDZBQOSA-N -1 0 340.379 3.666 20 0 EHADRM COCCOc1ccc(NCc2cccc(C(=O)[O-])c2)cc1Cl ZINC001604626485 973748185 /nfs/dbraw/zinc/74/81/85/973748185.db2.gz RPMHUSPEEMZURI-UHFFFAOYSA-N -1 0 335.787 3.676 20 0 EHADRM Cc1c(NC(=O)c2cscc2Br)cccc1C(=O)[O-] ZINC000404927857 973755541 /nfs/dbraw/zinc/75/55/41/973755541.db2.gz IGLAUAXNSYWQPH-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)Nc1cc(Cl)ccc1Cl ZINC000405134367 973767895 /nfs/dbraw/zinc/76/78/95/973767895.db2.gz AEARBAFOTZRKJB-GZMMTYOYSA-N -1 0 331.199 3.758 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@@H](C)c2cc(C)cc(C)c2)C1 ZINC001603600141 973831128 /nfs/dbraw/zinc/83/11/28/973831128.db2.gz GINWWBCVRFSFBE-HNAYVOBHSA-N -1 0 332.444 3.651 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(C)c(C(F)(F)F)c2)C1 ZINC001603601789 973858650 /nfs/dbraw/zinc/85/86/50/973858650.db2.gz NDWMYDOCBODTFV-INIZCTEOSA-N -1 0 343.345 3.731 20 0 EHADRM Cc1cc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c(C)n1C1CC1 ZINC000414447403 973940174 /nfs/dbraw/zinc/94/01/74/973940174.db2.gz KUUPTVPBJRDITA-LBPRGKRZSA-N -1 0 326.396 3.880 20 0 EHADRM Cc1c(F)cccc1-c1ccc(CN[C@H](CC(F)F)C(=O)[O-])o1 ZINC000417594208 973963911 /nfs/dbraw/zinc/96/39/11/973963911.db2.gz MBTUPJMYOXCRHW-CYBMUJFWSA-N -1 0 327.302 3.592 20 0 EHADRM COc1ccc(CNc2ccc(C[C@@H](C)C(=O)[O-])cc2)c(C)c1OC ZINC000417612617 973965495 /nfs/dbraw/zinc/96/54/95/973965495.db2.gz RIKKKVNGQJSUIS-CYBMUJFWSA-N -1 0 343.423 3.888 20 0 EHADRM CCC[C@H](NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)C1CCCC1 ZINC001603634180 973968248 /nfs/dbraw/zinc/96/82/48/973968248.db2.gz ZMICTIBSXHDQHE-ROUUACIJSA-N -1 0 344.455 3.739 20 0 EHADRM O=C([O-])c1ccc(CNc2ccc([C@H](O)C(F)(F)F)cc2)s1 ZINC001606494810 973977038 /nfs/dbraw/zinc/97/70/38/973977038.db2.gz DKXBRDPAINHYNW-LBPRGKRZSA-N -1 0 331.315 3.654 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cc(F)c(Cl)cc2F)cc1 ZINC001606494880 973978804 /nfs/dbraw/zinc/97/88/04/973978804.db2.gz GHKFJZMNHYIFKO-UHFFFAOYSA-N -1 0 326.682 3.673 20 0 EHADRM CCCCCC[C@H](C)CC(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001603640951 973986810 /nfs/dbraw/zinc/98/68/10/973986810.db2.gz JGVYZELGWLCGEV-QCTRZYONSA-N -1 0 339.476 3.512 20 0 EHADRM CCCCCN(C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)C(C)C ZINC001603641123 973987645 /nfs/dbraw/zinc/98/76/45/973987645.db2.gz VCUCTVBQJAFWSL-IBGZPJMESA-N -1 0 334.460 3.639 20 0 EHADRM O=C([O-])c1cccc(C(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC001606508571 973999516 /nfs/dbraw/zinc/99/95/16/973999516.db2.gz QWJSLYDJPLIFSM-CXAGYDPISA-N -1 0 327.355 3.590 20 0 EHADRM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424393633 974027092 /nfs/dbraw/zinc/02/70/92/974027092.db2.gz AYZHAULKRVTODI-DLBZAZTESA-N -1 0 346.471 3.855 20 0 EHADRM Cc1cc(C)cc([C@H](NCc2c[nH]c(-c3ccccc3)n2)C(=O)[O-])c1 ZINC000426756707 974045166 /nfs/dbraw/zinc/04/51/66/974045166.db2.gz MAKJUCMRKFBUCJ-SFHVURJKSA-N -1 0 335.407 3.609 20 0 EHADRM C[C@@H](CNC(=O)c1ccc(Sc2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000431530487 974067791 /nfs/dbraw/zinc/06/77/91/974067791.db2.gz HFLUWINOLFKDSG-VIFPVBQESA-N -1 0 339.800 3.535 20 0 EHADRM CCCCOc1ccc(C(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])cc1 ZINC000431888496 974078166 /nfs/dbraw/zinc/07/81/66/974078166.db2.gz XCRFICJNTOJJOS-VQIMIIECSA-N -1 0 333.428 3.629 20 0 EHADRM CN(C(=O)c1c(Cl)c2ccccc2n1C)C1(C(=O)[O-])CCCCC1 ZINC000431995892 974082695 /nfs/dbraw/zinc/08/26/95/974082695.db2.gz QFEBGDPZKRRMCP-UHFFFAOYSA-N -1 0 348.830 3.691 20 0 EHADRM Cc1cc(C)cc(CCC(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC000432004128 974084044 /nfs/dbraw/zinc/08/40/44/974084044.db2.gz XKXLPQKIWMYFPG-UHFFFAOYSA-N -1 0 325.408 3.892 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1ncccc1C(F)(F)F ZINC000432009268 974084269 /nfs/dbraw/zinc/08/42/69/974084269.db2.gz ZEUGVXWGCRYDOY-UHFFFAOYSA-N -1 0 338.285 3.668 20 0 EHADRM Cc1cc(C(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])c(Cl)cc1F ZINC000432100717 974086771 /nfs/dbraw/zinc/08/67/71/974086771.db2.gz VODUYUKNJNJWJK-MEDUHNTESA-N -1 0 327.783 3.551 20 0 EHADRM Cc1nc2ccc(NC(=O)c3ccc(C(=O)[O-])cc3F)cc2s1 ZINC000432127088 974089875 /nfs/dbraw/zinc/08/98/75/974089875.db2.gz CVYFOLZZJUFTBW-UHFFFAOYSA-N -1 0 330.340 3.694 20 0 EHADRM O=C([O-])c1coc(C(=O)N2Cc3ccccc3C[C@H]2c2ccccc2)c1 ZINC000432131736 974091467 /nfs/dbraw/zinc/09/14/67/974091467.db2.gz ZNKJUBSCADRBNA-SFHVURJKSA-N -1 0 347.370 3.918 20 0 EHADRM Cc1ccc(CCCCC(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000439698751 974106998 /nfs/dbraw/zinc/10/69/98/974106998.db2.gz NMJUKURYFGRLME-GOSISDBHSA-N -1 0 337.419 3.923 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000442752426 974120369 /nfs/dbraw/zinc/12/03/69/974120369.db2.gz ROUDZAVBZUODDJ-NXEZZACHSA-N -1 0 332.227 3.809 20 0 EHADRM COc1ccccc1C1(NC(=O)Nc2cccc(C(=O)[O-])c2)CCC1 ZINC001604883236 974133273 /nfs/dbraw/zinc/13/32/73/974133273.db2.gz CGVPCICQPXAVRS-UHFFFAOYSA-N -1 0 340.379 3.594 20 0 EHADRM Cc1ccccc1CCC(=O)N[C@@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC000448996481 974135509 /nfs/dbraw/zinc/13/55/09/974135509.db2.gz ROSHYSRWAHZWFN-FQEVSTJZSA-N -1 0 343.398 3.573 20 0 EHADRM CCN(C(=O)Nc1ccc(CCC(F)(F)F)cc1)[C@@H](C)C(=O)[O-] ZINC001603715485 974136257 /nfs/dbraw/zinc/13/62/57/974136257.db2.gz HBGGEDLSDBWPGK-JTQLQIEISA-N -1 0 332.322 3.508 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)Cc2cc(Cl)cc(Cl)c2)cc1 ZINC001605709738 974141335 /nfs/dbraw/zinc/14/13/35/974141335.db2.gz XOVPPIPMCDZGSA-UHFFFAOYSA-N -1 0 338.190 3.551 20 0 EHADRM O=C([O-])c1c(-c2ccsc2)csc1NC(=O)C[C@H]1CCOC1 ZINC001605711035 974144690 /nfs/dbraw/zinc/14/46/90/974144690.db2.gz MJMJPOJGEQWKFO-SECBINFHSA-N -1 0 337.422 3.540 20 0 EHADRM Cc1ccccc1C[C@H](C)N(C)C(=O)CCc1ccccc1C(=O)[O-] ZINC000450545378 974148547 /nfs/dbraw/zinc/14/85/47/974148547.db2.gz XGSJXQLBHZSUMM-INIZCTEOSA-N -1 0 339.435 3.715 20 0 EHADRM O=C([O-])c1ccccc1-c1ccccc1C(=O)NC[C@@H]1CCCS1 ZINC000455850389 974152925 /nfs/dbraw/zinc/15/29/25/974152925.db2.gz SDEMABJNEMPCTQ-ZDUSSCGKSA-N -1 0 341.432 3.677 20 0 EHADRM Cc1cccc([C@H](C)C(=O)N[C@H](C)[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000455932039 974172165 /nfs/dbraw/zinc/17/21/65/974172165.db2.gz JCKVDDQZGSZYAM-FCEWJHQRSA-N -1 0 339.435 3.547 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1ccccc1OC(F)F ZINC000471982864 974198023 /nfs/dbraw/zinc/19/80/23/974198023.db2.gz DEZNSHYXAFABPT-UHFFFAOYSA-N -1 0 335.306 3.855 20 0 EHADRM CC(C)(C)Oc1ccccc1NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000478837368 974209159 /nfs/dbraw/zinc/20/91/59/974209159.db2.gz PVLASIYSCOLFGN-UHFFFAOYSA-N -1 0 331.343 3.954 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cccc(-c3ccoc3)c2)CCCCC1 ZINC000516947214 974311915 /nfs/dbraw/zinc/31/19/15/974311915.db2.gz ISHBOSPYRXQHPH-UHFFFAOYSA-N -1 0 327.380 3.854 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000516929736 974312240 /nfs/dbraw/zinc/31/22/40/974312240.db2.gz MUPKOCYQAMFDHW-IBGZPJMESA-N -1 0 343.810 3.517 20 0 EHADRM CCC[C@@H]1CCC[C@@H]1C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000519427065 974329796 /nfs/dbraw/zinc/32/97/96/974329796.db2.gz XLRFOGRTNMWXMY-AEFFLSMTSA-N -1 0 347.455 3.763 20 0 EHADRM Cc1cc(CCCC(=O)NC2(CC(=O)[O-])CCCCC2)c(C)s1 ZINC000538506488 974389964 /nfs/dbraw/zinc/38/99/64/974389964.db2.gz ZMBZUFDVSGEYMT-UHFFFAOYSA-N -1 0 337.485 3.981 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)CCCc2ccc(Cl)cc2)cc1 ZINC000540924066 974410357 /nfs/dbraw/zinc/41/03/57/974410357.db2.gz CGYFOKZSOSNUDV-UHFFFAOYSA-N -1 0 347.798 3.765 20 0 EHADRM Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2ccc(CC(=O)[O-])cc2)c1 ZINC000542504570 974415168 /nfs/dbraw/zinc/41/51/68/974415168.db2.gz XLJXEHDIWOUSJM-LBPRGKRZSA-N -1 0 347.798 3.682 20 0 EHADRM CC(C)Oc1ccccc1[C@H](C)NC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000560103786 974500529 /nfs/dbraw/zinc/50/05/29/974500529.db2.gz YUUCBQIXIOJOFO-AWEZNQCLSA-N -1 0 341.407 3.592 20 0 EHADRM O=C([O-])[C@H](CNC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21)CC1CC1 ZINC000565086972 974567029 /nfs/dbraw/zinc/56/70/29/974567029.db2.gz FKSVOIYUDYWVLV-IPELMVKDSA-N -1 0 337.419 3.560 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc2ccccc2c1 ZINC000565533658 974584261 /nfs/dbraw/zinc/58/42/61/974584261.db2.gz CDECKZJQZIQQPE-NQYYFHDYSA-N -1 0 337.419 3.908 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)NCc1ccc(OC2CCCCC2)cc1 ZINC000566483165 974612632 /nfs/dbraw/zinc/61/26/32/974612632.db2.gz KQAWUCRZSVZNSN-AWEZNQCLSA-N -1 0 333.428 3.515 20 0 EHADRM O=C([O-])c1ccc([C@H](NC(=O)C2CC3(CCC3)C2)C(F)(F)F)cc1 ZINC000566563696 974617322 /nfs/dbraw/zinc/61/73/22/974617322.db2.gz KTSOJFJFLLHCPB-ZDUSSCGKSA-N -1 0 341.329 3.685 20 0 EHADRM CC[C@H](C(=O)NCC1(CC(=O)[O-])CCCCC1)c1ccc(OC)cc1 ZINC000566776083 974622151 /nfs/dbraw/zinc/62/21/51/974622151.db2.gz PNBPZCQIWJDABM-KRWDZBQOSA-N -1 0 347.455 3.730 20 0 EHADRM CS[C@@H]1CCCC[N@H+](Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000567359271 974632683 /nfs/dbraw/zinc/63/26/83/974632683.db2.gz OYLADULBDIERER-MRXNPFEDSA-N -1 0 346.452 3.757 20 0 EHADRM CS[C@H]1CCCC[N@H+](Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000567359270 974632977 /nfs/dbraw/zinc/63/29/77/974632977.db2.gz OYLADULBDIERER-INIZCTEOSA-N -1 0 346.452 3.757 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc(CSCc3ccccc3)c2)CC1 ZINC000567988003 974653027 /nfs/dbraw/zinc/65/30/27/974653027.db2.gz RLEOTOXHKNJVKM-UHFFFAOYSA-N -1 0 341.432 3.923 20 0 EHADRM O=C([O-])c1cc(CN2CCO[C@@H](c3cccc(Cl)c3)C2)cs1 ZINC000568067965 974660523 /nfs/dbraw/zinc/66/05/23/974660523.db2.gz CHTTVEJJNLRCAB-CQSZACIVSA-N -1 0 337.828 3.673 20 0 EHADRM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000568284291 974665527 /nfs/dbraw/zinc/66/55/27/974665527.db2.gz BKVNBZWHOAMDIH-RHSMWYFYSA-N -1 0 333.428 3.926 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1cc2c(ccc3ccccc23)[nH]1)CC1CC1 ZINC000576285113 974811421 /nfs/dbraw/zinc/81/14/21/974811421.db2.gz WHBFTPZEVSOPJB-CQSZACIVSA-N -1 0 336.391 3.552 20 0 EHADRM CCc1ccc([C@H]2COCCN2Cc2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC000578137839 974848280 /nfs/dbraw/zinc/84/82/80/974848280.db2.gz YZDLOYIUSNUTMY-MRXNPFEDSA-N -1 0 349.814 3.767 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)cc1Cl ZINC000578326355 974852986 /nfs/dbraw/zinc/85/29/86/974852986.db2.gz RVNAIICRMSUBOK-IBGZPJMESA-N -1 0 343.810 3.517 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000578871987 974863450 /nfs/dbraw/zinc/86/34/50/974863450.db2.gz LFJZADAIPBYXDG-FQEVSTJZSA-N -1 0 341.407 3.580 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CCCC[C@H]2C2CC2)C[C@H]1c1ccccc1 ZINC000578891406 974864374 /nfs/dbraw/zinc/86/43/74/974864374.db2.gz AGPMSUMMLKJUNM-CADBVGFASA-N -1 0 341.451 3.530 20 0 EHADRM COc1ccc(NC(=O)c2cc3cccc(C)c3o2)c(C(=O)[O-])c1 ZINC000579167316 974869385 /nfs/dbraw/zinc/86/93/85/974869385.db2.gz MULXHSBMTGOXET-UHFFFAOYSA-N -1 0 325.320 3.700 20 0 EHADRM Cc1oc(CN(C)C(=O)C2(c3ccccc3C)CCC2)cc1C(=O)[O-] ZINC000579129269 974869503 /nfs/dbraw/zinc/86/95/03/974869503.db2.gz GUMAQGIKSZQWDR-UHFFFAOYSA-N -1 0 341.407 3.675 20 0 EHADRM O=C([O-])c1ccc(CN(CCC(F)(F)F)Cc2ccccc2)o1 ZINC000579133061 974869650 /nfs/dbraw/zinc/86/96/50/974869650.db2.gz UIRAHTGOIAHLAA-UHFFFAOYSA-N -1 0 327.302 3.932 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)C2CC3(CCC3)C2)cc1 ZINC000579716197 974880896 /nfs/dbraw/zinc/88/08/96/974880896.db2.gz KVIVBBRRGJRNNS-HNNXBMFYSA-N -1 0 333.453 3.621 20 0 EHADRM COc1cccc([C@@H]2C[C@@H](C)CN2c2nc(C(=O)[O-])c(C)s2)c1 ZINC000580452220 974894814 /nfs/dbraw/zinc/89/48/14/974894814.db2.gz UHTBAIUKOARMLL-YGRLFVJLSA-N -1 0 332.425 3.746 20 0 EHADRM Cc1c(C(=O)Nc2cccc(C(=O)[O-])c2)cnn1C1CCCCC1 ZINC000583263340 974938489 /nfs/dbraw/zinc/93/84/89/974938489.db2.gz DZPNOFUOQDEECA-UHFFFAOYSA-N -1 0 327.384 3.647 20 0 EHADRM CCCC[C@@H](Sc1nc(-c2ccncc2)nc(C)c1C)C(=O)[O-] ZINC000583575614 974943171 /nfs/dbraw/zinc/94/31/71/974943171.db2.gz MLIKKSMPVFCVMG-CQSZACIVSA-N -1 0 331.441 3.891 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000583763572 974945485 /nfs/dbraw/zinc/94/54/85/974945485.db2.gz CSSGUSVOIIIHPR-HIFRSBDPSA-N -1 0 331.437 3.649 20 0 EHADRM COc1cc(F)c(CNc2cc(C(=O)[O-])c(C)cc2C)cc1OC ZINC000584056650 974949904 /nfs/dbraw/zinc/94/99/04/974949904.db2.gz YXZIJEOYHGKGSJ-UHFFFAOYSA-N -1 0 333.359 3.770 20 0 EHADRM C[C@H](NCc1cc(C(F)(F)F)ccc1F)c1ncc(C(=O)[O-])s1 ZINC000584113942 974950588 /nfs/dbraw/zinc/95/05/88/974950588.db2.gz QRMVVDXSWOVTDZ-ZETCQYMHSA-N -1 0 348.321 3.850 20 0 EHADRM O=C([O-])c1cnoc1CN1CCc2sccc2[C@@H]1c1cccs1 ZINC000584416180 974955009 /nfs/dbraw/zinc/95/50/09/974955009.db2.gz QBGVPABVMCIZOE-OAHLLOKOSA-N -1 0 346.433 3.644 20 0 EHADRM Cc1cc(CN(C)[C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)no1 ZINC000584844487 974959887 /nfs/dbraw/zinc/95/98/87/974959887.db2.gz ACOHOUPOSPFAAZ-CYBMUJFWSA-N -1 0 329.183 3.548 20 0 EHADRM Cc1oc(C)c(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)c1C ZINC000621564665 975032217 /nfs/dbraw/zinc/03/22/17/975032217.db2.gz QUTGWPPSJUTYKW-UHFFFAOYSA-N -1 0 339.294 3.757 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)Cc1ccc3ccccc3c1)C2 ZINC000621578297 975038364 /nfs/dbraw/zinc/03/83/64/975038364.db2.gz IQKFZNJNGPMYRY-UHFFFAOYSA-N -1 0 345.398 3.665 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000621579602 975040703 /nfs/dbraw/zinc/04/07/03/975040703.db2.gz RWOKWRKIZUOEQM-OAHLLOKOSA-N -1 0 337.419 3.772 20 0 EHADRM CCCc1ncc(C(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)s1 ZINC000621588264 975046174 /nfs/dbraw/zinc/04/61/74/975046174.db2.gz ULHHAZZGVIIENX-KBPBESRZSA-N -1 0 344.436 3.526 20 0 EHADRM CCCc1cc(C(=O)N[C@H](C)c2ncc(C(=O)[O-])s2)sc1C ZINC000621608426 975057015 /nfs/dbraw/zinc/05/70/15/975057015.db2.gz RBLCPUWQLKKILG-MRVPVSSYSA-N -1 0 338.454 3.655 20 0 EHADRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000621707206 975063678 /nfs/dbraw/zinc/06/36/78/975063678.db2.gz PJERVYSHUMSDHT-GFCCVEGCSA-N -1 0 348.830 3.847 20 0 EHADRM CC[C@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)c1ccc(Cl)s1 ZINC000626753078 975069127 /nfs/dbraw/zinc/06/91/27/975069127.db2.gz DWZSXAXPAZRHEU-VWYCJHECSA-N -1 0 344.864 3.605 20 0 EHADRM CC[C@H](CCc1ccccc1)NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000626776064 975071370 /nfs/dbraw/zinc/07/13/70/975071370.db2.gz FQKXESULYXOQSJ-GOSISDBHSA-N -1 0 346.471 3.684 20 0 EHADRM Cc1cc(C(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)oc1C(=O)[O-] ZINC000630103337 975102050 /nfs/dbraw/zinc/10/20/50/975102050.db2.gz VCEMVPVBUTYERS-ZDUSSCGKSA-N -1 0 327.380 3.727 20 0 EHADRM CCc1ccc(F)cc1C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000630126565 975112977 /nfs/dbraw/zinc/11/29/77/975112977.db2.gz JGAZQUYEIDDTBB-KRWDZBQOSA-N -1 0 329.371 3.724 20 0 EHADRM Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000630129712 975114789 /nfs/dbraw/zinc/11/47/89/975114789.db2.gz DEZHEPSDHJTHQJ-FZDIXFNVSA-N -1 0 337.419 3.677 20 0 EHADRM Cc1oc(CN(C)C(=O)Cc2coc3ccc(C)cc23)cc1C(=O)[O-] ZINC000630133016 975117754 /nfs/dbraw/zinc/11/77/54/975117754.db2.gz QXFACDFHJRUFQE-UHFFFAOYSA-N -1 0 341.363 3.542 20 0 EHADRM Cc1cc(C(=O)N[C@H](C)c2ccccc2OC(C)C)oc1C(=O)[O-] ZINC000630150606 975130783 /nfs/dbraw/zinc/13/07/83/975130783.db2.gz WBUHRCVGOZDDRR-GFCCVEGCSA-N -1 0 331.368 3.564 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)CCc2ccc(C(F)F)cc2)c2ccccc21 ZINC000630171145 975141527 /nfs/dbraw/zinc/14/15/27/975141527.db2.gz QYOVNBVMYDVMHF-OAHLLOKOSA-N -1 0 345.345 3.772 20 0 EHADRM CCC[C@H](C(=O)NCCC(C)(C)C(=O)[O-])c1cccc(Cl)c1 ZINC000630184826 975146349 /nfs/dbraw/zinc/14/63/49/975146349.db2.gz HVGUTXHUOJRDRR-AWEZNQCLSA-N -1 0 325.836 3.841 20 0 EHADRM CCC[C@@H](C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1)c1ccccn1 ZINC000630194715 975152626 /nfs/dbraw/zinc/15/26/26/975152626.db2.gz TURUIBQYSZHDNM-XJKSGUPXSA-N -1 0 326.396 3.792 20 0 EHADRM CSc1ccc(NC(=O)C[C@H](C)CC(=O)[O-])cc1Br ZINC000630229848 975176911 /nfs/dbraw/zinc/17/69/11/975176911.db2.gz ABOIHOBQNCSUPQ-QMMMGPOBSA-N -1 0 346.246 3.610 20 0 EHADRM CC(C)(NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1nc2ccccc2s1 ZINC000630232289 975179876 /nfs/dbraw/zinc/17/98/76/975179876.db2.gz IQCZSJOXECRXHS-NEPJUHHUSA-N -1 0 346.452 3.539 20 0 EHADRM CC(C)C[C@H](C)OCCC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC000630235591 975182043 /nfs/dbraw/zinc/18/20/43/975182043.db2.gz DNPLMJIICKUVOM-LBPRGKRZSA-N -1 0 332.400 3.646 20 0 EHADRM CCCC(O)(CCC)CC(=O)Nc1ccc2c(c1)[nH]cc2C(=O)[O-] ZINC000630235620 975182085 /nfs/dbraw/zinc/18/20/85/975182085.db2.gz FKENAXWGHJZCHU-UHFFFAOYSA-N -1 0 332.400 3.526 20 0 EHADRM CC[C@@H](C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1)c1ccccc1 ZINC000630260147 975204211 /nfs/dbraw/zinc/20/42/11/975204211.db2.gz UEEMPRQOCUCINB-IUODEOHRSA-N -1 0 345.370 3.810 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@H]2CC[C@H](OCCC(C)C)CC2)c1 ZINC000630264390 975208011 /nfs/dbraw/zinc/20/80/11/975208011.db2.gz XQDGKZIEXOVHSR-IYARVYRRSA-N -1 0 347.455 3.797 20 0 EHADRM O=C([O-])[C@H](CNC(=O)C/C=C\c1ccc(F)cc1)C1CCCCC1 ZINC000630264863 975208407 /nfs/dbraw/zinc/20/84/07/975208407.db2.gz JCZVGLUALBPIGS-VGOKWCNXSA-N -1 0 333.403 3.626 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)[C@@H](c1ccccc1)C1CC1)C1CCCCC1 ZINC000630268106 975211911 /nfs/dbraw/zinc/21/19/11/975211911.db2.gz VZPAHNDETLLIHR-ROUUACIJSA-N -1 0 329.440 3.578 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3ccccc3s2)[C@H]2CCC[C@H]21 ZINC000630275168 975219878 /nfs/dbraw/zinc/21/98/78/975219878.db2.gz RZOWUGATGBNRIQ-MJBXVCDLSA-N -1 0 329.421 3.617 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H]2CCC[C@H]21 ZINC000630284491 975228932 /nfs/dbraw/zinc/22/89/32/975228932.db2.gz XBQBNGSHNGEKKU-MISXGVKJSA-N -1 0 342.222 3.709 20 0 EHADRM Cc1ccc2c(C(=O)N3CC[C@H](C(=O)[O-])[C@@H]4CCC[C@@H]43)csc2c1 ZINC000630284925 975229574 /nfs/dbraw/zinc/22/95/74/975229574.db2.gz ORRNVJCARWNKLA-NOLJZWGESA-N -1 0 343.448 3.925 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC000630285899 975230172 /nfs/dbraw/zinc/23/01/72/975230172.db2.gz SYARQIMRFKQGGF-JKIFEVAISA-N -1 0 340.423 3.500 20 0 EHADRM Cc1cccc2cc(C(=O)N3CC[C@H](C(=O)[O-])[C@H]4CCC[C@@H]43)sc21 ZINC000630286725 975231192 /nfs/dbraw/zinc/23/11/92/975231192.db2.gz YNTBSLKRQYOJST-ILXRZTDVSA-N -1 0 343.448 3.925 20 0 EHADRM CCCN(Cc1ccc(F)cc1)C(=O)CCc1ccccc1C(=O)[O-] ZINC000630290069 975232935 /nfs/dbraw/zinc/23/29/35/975232935.db2.gz HLWPOKRNLBXWSK-UHFFFAOYSA-N -1 0 343.398 3.895 20 0 EHADRM COc1cc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)ccc1C(F)(F)F ZINC000630292182 975233726 /nfs/dbraw/zinc/23/37/26/975233726.db2.gz KXLUXKGFQMMTIT-VHSXEESVSA-N -1 0 345.317 3.544 20 0 EHADRM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC000630294172 975234221 /nfs/dbraw/zinc/23/42/21/975234221.db2.gz GEDXZINEZNLSQY-HIFRSBDPSA-N -1 0 341.382 3.617 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)c2cccc(OCC(=O)[O-])c2)c2ccccc21 ZINC000630294404 975235135 /nfs/dbraw/zinc/23/51/35/975235135.db2.gz JAPWCIDSKJIZRB-KRWDZBQOSA-N -1 0 339.391 3.550 20 0 EHADRM CC[C@@H](CSc1ccccc1)NC(=O)c1cccc(CC(=O)[O-])c1 ZINC000630297376 975237146 /nfs/dbraw/zinc/23/71/46/975237146.db2.gz NCPTYDPCKTUCJL-INIZCTEOSA-N -1 0 343.448 3.614 20 0 EHADRM C[C@@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1cc2ccccc2s1 ZINC000630301570 975239752 /nfs/dbraw/zinc/23/97/52/975239752.db2.gz ODDXQCCKJSEWSX-JHJVBQTASA-N -1 0 331.437 3.970 20 0 EHADRM CN(C(=O)CC(C)(C)CC(=O)[O-])[C@@H](CCc1ccccc1)C(F)F ZINC000630304495 975241304 /nfs/dbraw/zinc/24/13/04/975241304.db2.gz ISOGFKVDXXQDHH-AWEZNQCLSA-N -1 0 341.398 3.602 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NC[C@H]1CCCC12CC2)C(=O)[O-] ZINC000630306190 975241982 /nfs/dbraw/zinc/24/19/82/975241982.db2.gz VZHYFSNATYGETC-QWHCGFSZSA-N -1 0 333.453 3.562 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)[C@H]2CCCc3sccc32)cc1 ZINC000630329760 975257398 /nfs/dbraw/zinc/25/73/98/975257398.db2.gz MNWVXOXIDZTFEZ-HRCADAONSA-N -1 0 341.432 3.995 20 0 EHADRM Cc1cccc(C[C@]2(C)CCCN2C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000630340627 975263358 /nfs/dbraw/zinc/26/33/58/975263358.db2.gz HYKLDUZFUFJPNE-LQWHRVPQSA-N -1 0 343.467 3.810 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NCc2ncc(C(F)(F)F)s2)cc1 ZINC000630467189 975266285 /nfs/dbraw/zinc/26/62/85/975266285.db2.gz IHLBQRCEOFBOHD-WDEREUQCSA-N -1 0 342.342 3.962 20 0 EHADRM COCCC1(CNC(=O)CC2(CC(=O)[O-])CCCC2)CCCCC1 ZINC000634918479 975281189 /nfs/dbraw/zinc/28/11/89/975281189.db2.gz RJHQZDOXHKRYSO-UHFFFAOYSA-N -1 0 339.476 3.515 20 0 EHADRM O=C([O-])c1cnc(N[C@H](c2ccccc2)[C@@H]2CCCO2)c(Cl)c1 ZINC000647446139 975359357 /nfs/dbraw/zinc/35/93/57/975359357.db2.gz BXCBKTSGQOONRY-LSDHHAIUSA-N -1 0 332.787 3.765 20 0 EHADRM COCc1ccc([C@@H]2CCCN2c2ncc(C(=O)[O-])cc2Cl)o1 ZINC000647453102 975364074 /nfs/dbraw/zinc/36/40/74/975364074.db2.gz WVBHZIDDUXGQFN-ZDUSSCGKSA-N -1 0 336.775 3.514 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)C1CC2(CCC2)C1 ZINC000649245705 975385814 /nfs/dbraw/zinc/38/58/14/975385814.db2.gz SJOPSFBDIBDPID-UHFFFAOYSA-N -1 0 329.421 3.796 20 0 EHADRM CN(CCC(C)(C)C)C(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000649259867 975402211 /nfs/dbraw/zinc/40/22/11/975402211.db2.gz QUQQCLGJVJBLMU-UHFFFAOYSA-N -1 0 342.233 3.656 20 0 EHADRM Cc1csc(-c2cccc(C(=O)N[C@H](CC(C)(C)C)C(=O)[O-])c2)n1 ZINC000652077110 975474111 /nfs/dbraw/zinc/47/41/11/975474111.db2.gz OGEAUIXWMIXFDB-CQSZACIVSA-N -1 0 346.452 3.738 20 0 EHADRM CC(C)O[C@H](C(=O)OCc1ccsc1C(=O)[O-])c1ccccc1 ZINC001591687151 975500539 /nfs/dbraw/zinc/50/05/39/975500539.db2.gz WIFDKPISTVWROT-AWEZNQCLSA-N -1 0 334.393 3.656 20 0 EHADRM CC(C)[C@@H](c1ccccc1)N(C)C(=O)c1cccc(CC(=O)[O-])c1 ZINC000653640771 975606160 /nfs/dbraw/zinc/60/61/60/975606160.db2.gz HEXTUHCDWYCXJE-IBGZPJMESA-N -1 0 325.408 3.783 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N2CCCC[C@@H]2Cc2ccccc2)c1 ZINC000653640163 975606372 /nfs/dbraw/zinc/60/63/72/975606372.db2.gz WQTWBCUHPINHDW-LJQANCHMSA-N -1 0 337.419 3.551 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)Nc2ccc(OC3CCC3)c(F)c2)c1 ZINC000653643051 975610985 /nfs/dbraw/zinc/61/09/85/975610985.db2.gz WHXOVIMMJVIFNM-UHFFFAOYSA-N -1 0 343.354 3.636 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)CCc2c(Cl)cccc2Cl)C1 ZINC000656251228 975657771 /nfs/dbraw/zinc/65/77/71/975657771.db2.gz NWGHNDXXPYLYNY-MRXNPFEDSA-N -1 0 344.238 3.639 20 0 EHADRM Cc1nn(C(C)C)cc1C(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1 ZINC000656252073 975657825 /nfs/dbraw/zinc/65/78/25/975657825.db2.gz QPFTYGGRFZFDCK-MRXNPFEDSA-N -1 0 349.475 3.706 20 0 EHADRM O=C([O-])C1CCC(NC(=O)Nc2ccc3c(c2)C=CCCC3)CC1 ZINC000656605525 975665446 /nfs/dbraw/zinc/66/54/46/975665446.db2.gz UUODBQBSNCJPMX-UHFFFAOYSA-N -1 0 328.412 3.801 20 0 EHADRM O=C([O-])c1ccc2c(c1)[C@H](CNc1nnc(C(F)F)s1)CCC2 ZINC000656781911 975705431 /nfs/dbraw/zinc/70/54/31/975705431.db2.gz CRRSURJCSIVMJH-JTQLQIEISA-N -1 0 339.367 3.706 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc(COCC3CC3)c2)CC2(CCC2)C1 ZINC000659121510 975720374 /nfs/dbraw/zinc/72/03/74/975720374.db2.gz ICSJCXMIGZEGRS-UHFFFAOYSA-N -1 0 343.423 3.587 20 0 EHADRM O=C([O-])c1cccc2c1CN(C(=O)C1CC3(C1)CCCCC3)CC2 ZINC000659164877 975764752 /nfs/dbraw/zinc/76/47/52/975764752.db2.gz VYPYEANRSNQSNL-UHFFFAOYSA-N -1 0 327.424 3.630 20 0 EHADRM Cc1cc([C@H](NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)C2CC2)ccc1F ZINC000659166788 975765879 /nfs/dbraw/zinc/76/58/79/975765879.db2.gz YLIQAWXZUATOCL-YQQAZPJKSA-N -1 0 333.403 3.592 20 0 EHADRM CC(C)Oc1c(NC(=O)N[C@@H]2CCCC23CC3)cccc1C(=O)[O-] ZINC001591744810 975773083 /nfs/dbraw/zinc/77/30/83/975773083.db2.gz ULOMXMFMIXZLAX-CQSZACIVSA-N -1 0 332.400 3.626 20 0 EHADRM C[C@H](C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21)c1ccccc1 ZINC000659181544 975776132 /nfs/dbraw/zinc/77/61/32/975776132.db2.gz INSAWGSGPBTLEZ-KBXCAEBGSA-N -1 0 337.419 3.725 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CCCc3ccccc32)[C@@H]2CCCC[C@@H]12 ZINC000659191334 975788096 /nfs/dbraw/zinc/78/80/96/975788096.db2.gz CEENUHHLPHQSIR-WJFTUGDTSA-N -1 0 341.451 3.598 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000659192789 975791777 /nfs/dbraw/zinc/79/17/77/975791777.db2.gz OEOQDYNVMNXNAH-HRCADAONSA-N -1 0 335.831 3.754 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCc2ccc(Cl)cc2)[C@H]2CCCC[C@H]12 ZINC000659194963 975797137 /nfs/dbraw/zinc/79/71/37/975797137.db2.gz NRTDFISPVNXIDZ-ZACQAIPSSA-N -1 0 349.858 3.765 20 0 EHADRM Cc1ccc2oc(C(=O)N3CC[C@H](C(=O)[O-])[C@@H]4CCCC[C@@H]43)cc2c1 ZINC000659196037 975799886 /nfs/dbraw/zinc/79/98/86/975799886.db2.gz SFIAYDVGMMLMNO-JYJNAYRXSA-N -1 0 341.407 3.847 20 0 EHADRM Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)c(C)n1C(C)C ZINC000659196682 975800695 /nfs/dbraw/zinc/80/06/95/975800695.db2.gz XELAEGOEHBUOFZ-BQFCYCMXSA-N -1 0 346.471 3.791 20 0 EHADRM Cc1cc(C(=O)NC[C@H](CC(=O)[O-])C2CC2)c(C)n1C1CCCCC1 ZINC000659206573 975815787 /nfs/dbraw/zinc/81/57/87/975815787.db2.gz LQNANKLGXWFKHC-INIZCTEOSA-N -1 0 346.471 3.841 20 0 EHADRM C[C@H](CCNC(=O)N1CCC(CCC(=O)[O-])CC1)CC(C)(C)C ZINC000659401624 975846021 /nfs/dbraw/zinc/84/60/21/975846021.db2.gz ONVNIFCBOOWIEE-CQSZACIVSA-N -1 0 326.481 3.735 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NCc1nc(C2CCCC2)no1 ZINC001591772603 975905463 /nfs/dbraw/zinc/90/54/63/975905463.db2.gz FKQCVOVVIUUASS-UHFFFAOYSA-N -1 0 345.399 3.825 20 0 EHADRM O=C([O-])[C@@H]1CN(c2nc(C3CCCC3)ns2)C[C@H]1c1ccccc1 ZINC000662892868 975912913 /nfs/dbraw/zinc/91/29/13/975912913.db2.gz NVTJSAAAUNOCNU-LSDHHAIUSA-N -1 0 343.452 3.500 20 0 EHADRM CC(C)Oc1ccc(NC(=O)/C=C/c2cccc(O)c2)c(C(=O)[O-])c1 ZINC001591780202 975943940 /nfs/dbraw/zinc/94/39/40/975943940.db2.gz FRTCFEKRYDMLSQ-RMKNXTFCSA-N -1 0 341.363 3.530 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@@H](F)Cc2ccccc2)c(C(=O)[O-])c1 ZINC001591780236 975944403 /nfs/dbraw/zinc/94/44/03/975944403.db2.gz GSARBCVDCHCROW-INIZCTEOSA-N -1 0 345.370 3.691 20 0 EHADRM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCCCCC(=O)[O-] ZINC000666557928 975972027 /nfs/dbraw/zinc/97/20/27/975972027.db2.gz DDCHFEKMITZVGA-UHFFFAOYSA-N -1 0 347.242 3.780 20 0 EHADRM CC(C)(c1ccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])cc1)C(F)(F)F ZINC000668266984 975978243 /nfs/dbraw/zinc/97/82/43/975978243.db2.gz BJVAAXARQQBLMV-CYBMUJFWSA-N -1 0 343.345 3.606 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)c1cccs1 ZINC000675951001 976019313 /nfs/dbraw/zinc/01/93/13/976019313.db2.gz NIMHQWSCASFAEF-MJBXVCDLSA-N -1 0 349.839 3.837 20 0 EHADRM Cc1ccc(/C=C\CC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1 ZINC000679094870 976039330 /nfs/dbraw/zinc/03/93/30/976039330.db2.gz SDJRWOKQBRXEES-PHWHVTFISA-N -1 0 335.403 3.609 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000679102082 976042831 /nfs/dbraw/zinc/04/28/31/976042831.db2.gz UJDFOIVEYKTBMA-HUUCEWRRSA-N -1 0 347.455 3.538 20 0 EHADRM O=C([O-])c1coc(C(=O)Nc2ccc(NC3CCCCC3)cc2)c1 ZINC000680527607 976056621 /nfs/dbraw/zinc/05/66/21/976056621.db2.gz NISMFVQTXRWZSQ-UHFFFAOYSA-N -1 0 328.368 3.975 20 0 EHADRM CC[C@H](C)Oc1cc(CN[C@H](C(=O)[O-])c2cccs2)ccc1OC ZINC000683173219 976079697 /nfs/dbraw/zinc/07/96/97/976079697.db2.gz HHQFXNRABYKJFQ-SJCJKPOMSA-N -1 0 349.452 3.850 20 0 EHADRM C[C@@]1(NC(=O)c2cc3cc(Cl)ccc3[nH]2)CCCC[C@H]1C(=O)[O-] ZINC000683332737 976089863 /nfs/dbraw/zinc/08/98/63/976089863.db2.gz LAXQQUOETVXRJK-YVEFUNNKSA-N -1 0 334.803 3.585 20 0 EHADRM CC(C)c1[nH]c(CN2CCC[C@@H](C(F)(F)F)[C@@H]2C)cc1C(=O)[O-] ZINC001591912332 976342548 /nfs/dbraw/zinc/34/25/48/976342548.db2.gz KIDVDUUXAFUEPN-GXFFZTMASA-N -1 0 332.366 3.999 20 0 EHADRM CC(C)c1cc(C(=O)Nc2cccc(C(=O)[O-])c2N)c2ccccc2n1 ZINC001591930723 976425114 /nfs/dbraw/zinc/42/51/14/976425114.db2.gz ALBNCLNFUNUXHG-UHFFFAOYSA-N -1 0 349.390 3.891 20 0 EHADRM CC(C)c1ccc(-c2nc(C(=O)O[C@@H](C)CC(=O)[O-])cs2)cc1 ZINC001591936451 976460959 /nfs/dbraw/zinc/46/09/59/976460959.db2.gz ZYAOFCOMCOQVLS-NSHDSACASA-N -1 0 333.409 3.954 20 0 EHADRM CC(C)c1ccc([C@H]2CCCN2C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001591949643 976508747 /nfs/dbraw/zinc/50/87/47/976508747.db2.gz YDILWNNMEFVVTM-FGTMMUONSA-N -1 0 344.455 3.910 20 0 EHADRM CC(C)c1ccc(C2(C(=O)NCC3(C(=O)[O-])CC3)CCCC2)cc1 ZINC001591949631 976508783 /nfs/dbraw/zinc/50/87/83/976508783.db2.gz XZDXPOWECMZAKI-UHFFFAOYSA-N -1 0 329.440 3.603 20 0 EHADRM CC(C)c1ccc(NC(=O)Cc2ccc(F)c(F)c2)c(C(=O)[O-])c1 ZINC001591965895 976560861 /nfs/dbraw/zinc/56/08/61/976560861.db2.gz UWJRWWKBIVYXRF-UHFFFAOYSA-N -1 0 333.334 3.968 20 0 EHADRM CC(C)c1ccc(NC(=O)c2ccc3cccnc3n2)c(C(=O)[O-])c1 ZINC001591968086 976566043 /nfs/dbraw/zinc/56/60/43/976566043.db2.gz IOJFNFNDHXJRPK-UHFFFAOYSA-N -1 0 335.363 3.704 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)NC[C@@H](CC(=O)[O-])C1CC1)CC2 ZINC001591974302 976587150 /nfs/dbraw/zinc/58/71/50/976587150.db2.gz RWOMELUKDXICQW-SJLPKXTDSA-N -1 0 344.455 3.597 20 0 EHADRM CC(C)c1cccc(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)c1 ZINC001591983713 976604030 /nfs/dbraw/zinc/60/40/30/976604030.db2.gz QVZNNAOCFOFFME-UHFFFAOYSA-N -1 0 327.380 3.916 20 0 EHADRM CC(C)c1cccc(C(C)C)c1NC(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC001591986471 976607917 /nfs/dbraw/zinc/60/79/17/976607917.db2.gz FQOZOMPWIRYMMU-LJQANCHMSA-N -1 0 348.443 3.689 20 0 EHADRM CC(C)c1nc(NC(=O)C(C)(C)c2cccs2)sc1C(=O)[O-] ZINC001592022166 976718299 /nfs/dbraw/zinc/71/82/99/976718299.db2.gz LWSQEAAMVOKWPF-UHFFFAOYSA-N -1 0 338.454 3.943 20 0 EHADRM CC(C)c1nccn1Cc1cccc(N[C@H](C)[C@@H]2C[C@@H]2C(=O)[O-])c1 ZINC001592039527 976762829 /nfs/dbraw/zinc/76/28/29/976762829.db2.gz LZRDQHYCNMCGIB-COXVUDFISA-N -1 0 327.428 3.576 20 0 EHADRM CC(C)c1ncsc1C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC001592042695 976771453 /nfs/dbraw/zinc/77/14/53/976771453.db2.gz RMAXRCIZCUQTBA-ZDUSSCGKSA-N -1 0 332.425 3.602 20 0 EHADRM CC(C)c1nnc(CNc2cc(F)c(Cl)c(C(=O)[O-])c2)s1 ZINC001592060842 976809925 /nfs/dbraw/zinc/80/99/25/976809925.db2.gz YTQKAMYWBWOYPH-UHFFFAOYSA-N -1 0 329.784 3.764 20 0 EHADRM CC(C)c1sc(NC(=O)/C=C/c2cccc(F)c2)nc1C(=O)[O-] ZINC001592111696 976902714 /nfs/dbraw/zinc/90/27/14/976902714.db2.gz KRQSJTZFFQBASA-VOTSOKGWSA-N -1 0 334.372 3.756 20 0 EHADRM CC(C)n1cc2c(n1)[C@H](N[C@H](C(=O)[O-])c1ccccc1Cl)CCC2 ZINC001592130738 976960802 /nfs/dbraw/zinc/96/08/02/976960802.db2.gz HTAVSXJJBOJICG-WBVHZDCISA-N -1 0 347.846 3.910 20 0 EHADRM C[C@H](/C=C\C(=O)[O-])NC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC001592195199 977176685 /nfs/dbraw/zinc/17/66/85/977176685.db2.gz RYKYKIZFFXCPRN-PSMNSVJZSA-N -1 0 341.432 3.666 20 0 EHADRM C[C@H](/C=C\C(=O)[O-])NC(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl ZINC001592195739 977183336 /nfs/dbraw/zinc/18/33/36/977183336.db2.gz XSHFPWLXEIWFRK-UCOPNCLCSA-N -1 0 348.251 3.620 20 0 EHADRM C[C@H](/C=C/C(=O)[O-])NC(=O)c1cc(-c2ccccc2)ccc1Cl ZINC001592202357 977217781 /nfs/dbraw/zinc/21/77/81/977217781.db2.gz UHRHGTQWYAVIIX-OFFHKIPUSA-N -1 0 329.783 3.766 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21)n1cccc1 ZINC001592239580 977449527 /nfs/dbraw/zinc/44/95/27/977449527.db2.gz CHTJQVZRSYXNSR-IFXJQAMLSA-N -1 0 336.391 3.535 20 0 EHADRM C[C@H](CC(=O)N[C@H](CC(=O)[O-])Cc1ccccc1)c1cccc(F)c1 ZINC001592258384 977495838 /nfs/dbraw/zinc/49/58/38/977495838.db2.gz DPSSXQRRYFTAAG-KDOFPFPSSA-N -1 0 343.398 3.522 20 0 EHADRM C[C@@H](CC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1)c1ccco1 ZINC001592261710 977503818 /nfs/dbraw/zinc/50/38/18/977503818.db2.gz GRWXCCNECMCMKM-QMMMGPOBSA-N -1 0 325.723 3.903 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C)C1CCCCC1 ZINC001592261652 977503978 /nfs/dbraw/zinc/50/39/78/977503978.db2.gz FVQIZJYEWKIGBS-ZDUSSCGKSA-N -1 0 332.444 3.996 20 0 EHADRM C[C@H](CC(=O)Nc1cc(CCC(=O)[O-])ccc1O)c1ccc(F)cc1 ZINC001592262174 977506927 /nfs/dbraw/zinc/50/69/27/977506927.db2.gz QSYRNKWCYLZMBX-GFCCVEGCSA-N -1 0 345.370 3.681 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000654791703 1014401667 /nfs/dbraw/zinc/40/16/67/1014401667.db2.gz HNWQWCLQCOMLMX-MNOVXSKESA-N -1 0 346.349 3.661 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])CC[C@@H]1O ZINC000186725847 1014405844 /nfs/dbraw/zinc/40/58/44/1014405844.db2.gz UJXXYLBVNJHUHD-PXAZEXFGSA-N -1 0 345.826 3.556 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])CC[C@H]1O ZINC000186725888 1014406644 /nfs/dbraw/zinc/40/66/44/1014406644.db2.gz UJXXYLBVNJHUHD-SJKOYZFVSA-N -1 0 345.826 3.556 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)Nc1cccc(C(F)F)c1)c1ccncc1 ZINC001592297414 977635709 /nfs/dbraw/zinc/63/57/09/977635709.db2.gz LKUUBTVZFYXLTQ-KRWDZBQOSA-N -1 0 349.337 3.531 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)Nc1ccc(SC(F)F)cc1)C1CC1 ZINC001592298051 977644179 /nfs/dbraw/zinc/64/41/79/977644179.db2.gz PXBLNNLDHVZLAM-OAHLLOKOSA-N -1 0 344.383 3.766 20 0 EHADRM CO[C@@H](C)c1nc(C)c(C(=O)Nc2ccc(Cl)cc2O)s1 ZINC000153551725 1014416451 /nfs/dbraw/zinc/41/64/51/1014416451.db2.gz SDHWAHILWIBRAF-QMMMGPOBSA-N -1 0 326.805 3.770 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N1CCC(c2ccc(C(C)(C)C)cc2)CC1 ZINC001592342348 977798200 /nfs/dbraw/zinc/79/82/00/977798200.db2.gz ZZNYXFZUCNDAHF-AWEZNQCLSA-N -1 0 331.456 3.801 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)NCC(C)(C)c1ccc(C(C)(C)C)cc1 ZINC001592385537 977930160 /nfs/dbraw/zinc/93/01/60/977930160.db2.gz ZFBDHLWVUFMJRT-CQSZACIVSA-N -1 0 333.472 3.879 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)OCc1cccc(Br)c1Cl ZINC001592402579 977970670 /nfs/dbraw/zinc/97/06/70/977970670.db2.gz PVNSFRYLBATFPH-MRVPVSSYSA-N -1 0 349.608 3.647 20 0 EHADRM C[C@@H](CC(F)(F)F)C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC001592451680 978138353 /nfs/dbraw/zinc/13/83/53/978138353.db2.gz FXNZNNCBMLVZIZ-QMMMGPOBSA-N -1 0 345.342 3.804 20 0 EHADRM C[C@H](CC(F)(F)F)NC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001592454673 978166080 /nfs/dbraw/zinc/16/60/80/978166080.db2.gz QPEQUIFGLIWPQU-RXMQYKEDSA-N -1 0 342.676 3.640 20 0 EHADRM C[C@@H](CC1CCCCC1)C(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1 ZINC001592465807 978209640 /nfs/dbraw/zinc/20/96/40/978209640.db2.gz NHDVUSZKTMJIAY-NSHDSACASA-N -1 0 329.400 3.806 20 0 EHADRM C[C@@H](CCC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-])c1ccccc1 ZINC001592470345 978220666 /nfs/dbraw/zinc/22/06/66/978220666.db2.gz KDQPRTXCFBFXNU-KBXCAEBGSA-N -1 0 343.398 3.522 20 0 EHADRM C[C@H](CCC1CCCCC1)NC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001592476762 978237247 /nfs/dbraw/zinc/23/72/47/978237247.db2.gz CIEXHZZIJVFKIW-ALKREAHSSA-N -1 0 336.476 3.632 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc3oc(=O)[nH]c3c2)cc1C(F)(F)F ZINC001211490259 1014470936 /nfs/dbraw/zinc/47/09/36/1014470936.db2.gz RKEOKHYFKYFRAC-UHFFFAOYSA-N -1 0 338.241 3.994 20 0 EHADRM C[C@H](CCNC(=O)NCCCCC1(C(=O)[O-])CCC1)c1ccccc1 ZINC001592512741 978338328 /nfs/dbraw/zinc/33/83/28/978338328.db2.gz DAHVOSBJGXTESY-MRXNPFEDSA-N -1 0 346.471 3.905 20 0 EHADRM C[C@H](CN(C)C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC000736568544 978343150 /nfs/dbraw/zinc/34/31/50/978343150.db2.gz DJAPFECUSKEHDE-VPUINMBXSA-N -1 0 347.411 3.747 20 0 EHADRM Cc1cc(C(=O)[O-])c2sc(NC(=O)[C@@H](C)c3ccsc3)nc2n1 ZINC000738344357 978522170 /nfs/dbraw/zinc/52/21/70/978522170.db2.gz YWZDCGXJTPDXMY-QMMMGPOBSA-N -1 0 347.421 3.502 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)CCC[Si](C)(C)C)C(=O)[O-] ZINC001592602583 978541259 /nfs/dbraw/zinc/54/12/59/978541259.db2.gz VZGZXAHNDGWODT-HNNXBMFYSA-N -1 0 335.520 3.854 20 0 EHADRM CC(C)c1ncsc1C(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC001592604541 978544308 /nfs/dbraw/zinc/54/43/08/978544308.db2.gz FNOQZMITSRRUFY-CYBMUJFWSA-N -1 0 346.452 3.630 20 0 EHADRM Cc1nc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)sc1-c1ccccc1 ZINC000738864601 978605834 /nfs/dbraw/zinc/60/58/34/978605834.db2.gz OADLBEFRFLWLHB-KBPBESRZSA-N -1 0 344.436 3.948 20 0 EHADRM C[C@](CNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12)(C(=O)[O-])c1ccccc1 ZINC001592647768 978628850 /nfs/dbraw/zinc/62/88/50/978628850.db2.gz OTMQENTUUNNRSZ-DZKDUJFISA-N -1 0 343.467 3.752 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccccc2N2CCCCCC2)C1 ZINC000739573587 978645757 /nfs/dbraw/zinc/64/57/57/978645757.db2.gz KYJPBSSCDJPYHS-CVEARBPZSA-N -1 0 344.455 3.897 20 0 EHADRM O=C([O-])c1ccc(Oc2nc(-c3cccnc3)nc3c2CCC3)cc1 ZINC000740168409 978671236 /nfs/dbraw/zinc/67/12/36/978671236.db2.gz UWXIZBSFFACZTR-UHFFFAOYSA-N -1 0 333.347 3.518 20 0 EHADRM O=C([O-])[C@H](NCc1ccc(SC(F)F)cc1)c1cccs1 ZINC000756339363 978698636 /nfs/dbraw/zinc/69/86/36/978698636.db2.gz MLSCFZJVGYILDB-GFCCVEGCSA-N -1 0 329.393 3.978 20 0 EHADRM CCCCC[C@H](NC(=O)C[C@@H](C)c1ccc(F)cc1F)C(=O)[O-] ZINC000761836984 978715307 /nfs/dbraw/zinc/71/53/07/978715307.db2.gz OZZCYYIBGMXQFX-ABAIWWIYSA-N -1 0 327.371 3.608 20 0 EHADRM Cn1c(C(=O)Nc2cc(C(=O)[O-])cs2)ccc1-c1ccc(F)cc1 ZINC000762156205 978717558 /nfs/dbraw/zinc/71/75/58/978717558.db2.gz BQEDPGSXOWHJOK-UHFFFAOYSA-N -1 0 344.367 3.843 20 0 EHADRM C/C(=C\C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000766827929 978725748 /nfs/dbraw/zinc/72/57/48/978725748.db2.gz MVEOILAZTSSHBV-MLFXKNMZSA-N -1 0 327.355 3.561 20 0 EHADRM CCCCC[C@@H](C)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000766972145 978730677 /nfs/dbraw/zinc/73/06/77/978730677.db2.gz PHGCEPPYAQVNPT-KDOFPFPSSA-N -1 0 344.455 3.886 20 0 EHADRM C/C(=C\C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1)C(C)(C)C ZINC000794002054 978811210 /nfs/dbraw/zinc/81/12/10/978811210.db2.gz LNSINLIQDAJZLQ-HUXQLNKYSA-N -1 0 349.858 3.959 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C=C2CCCCC2)C[C@H]1c1ccc(Cl)cc1 ZINC000794003324 978812186 /nfs/dbraw/zinc/81/21/86/978812186.db2.gz SIAZNCHCFFZOHE-DLBZAZTESA-N -1 0 347.842 3.857 20 0 EHADRM CC[C@@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccc(OC)cc1 ZINC000799243999 978837757 /nfs/dbraw/zinc/83/77/57/978837757.db2.gz ZKNBAXKUYWTRIB-CQSZACIVSA-N -1 0 331.343 3.665 20 0 EHADRM CC(=O)Nc1cc(NC(=O)c2cc(C(=O)[O-])ccc2Cl)ccc1C ZINC000811815025 978858556 /nfs/dbraw/zinc/85/85/56/978858556.db2.gz ZCPDRYRGOVQQPH-UHFFFAOYSA-N -1 0 346.770 3.557 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N2CCc3cc(F)c(F)cc32)c1 ZINC000811820106 978863765 /nfs/dbraw/zinc/86/37/65/978863765.db2.gz OHLUBIMWSKTSBG-UHFFFAOYSA-N -1 0 337.709 3.519 20 0 EHADRM C[C@@H](CNC(=O)c1cc(C(=O)[O-])ccc1Cl)Sc1ccccc1 ZINC000811819887 978863937 /nfs/dbraw/zinc/86/39/37/978863937.db2.gz XRPNIXSHCOPGSP-NSHDSACASA-N -1 0 349.839 3.949 20 0 EHADRM CCOC(=O)/C(=C\c1cccc(C(=O)[O-])c1)c1ccncc1Cl ZINC000812243872 978869068 /nfs/dbraw/zinc/86/90/68/978869068.db2.gz BNRSKYUUELITER-ZROIWOOFSA-N -1 0 331.755 3.537 20 0 EHADRM CCCC[C@H](Cc1ccccn1)OC(=O)c1ccc(C(=O)[O-])s1 ZINC000829284364 978996926 /nfs/dbraw/zinc/99/69/26/978996926.db2.gz BIUUZYMNMITWIJ-CYBMUJFWSA-N -1 0 333.409 3.800 20 0 EHADRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)C[C@@H]1C=CCC1 ZINC000832847900 979049472 /nfs/dbraw/zinc/04/94/72/979049472.db2.gz BOFMPDFPMQSDIH-SNVBAGLBSA-N -1 0 338.201 3.751 20 0 EHADRM Cc1ccc(-c2cnc(CN(C)Cc3ccc(C(=O)[O-])cc3)o2)cc1 ZINC000832907232 979054294 /nfs/dbraw/zinc/05/42/94/979054294.db2.gz POQQEOYXIGRTMP-UHFFFAOYSA-N -1 0 336.391 3.980 20 0 EHADRM Cc1cccc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c1F ZINC000832963864 979062078 /nfs/dbraw/zinc/06/20/78/979062078.db2.gz TVXADDIDUZNSDO-INIZCTEOSA-N -1 0 329.371 3.716 20 0 EHADRM CC[C@@H](C)c1nnc(-c2cc(Br)cc(C(=O)[O-])c2)o1 ZINC001595018223 979089639 /nfs/dbraw/zinc/08/96/39/979089639.db2.gz PXPGQZBTEFSDTL-SSDOTTSWSA-N -1 0 325.162 3.711 20 0 EHADRM CC[C@H](C)c1nnc(N2CCC[C@H](C(=O)[O-])C2)n1C[C@@H]1CCC[C@@H]1C ZINC001595018418 979091154 /nfs/dbraw/zinc/09/11/54/979091154.db2.gz RXCJZACLMXXFHE-VGWMRTNUSA-N -1 0 348.491 3.529 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1)c1ccc(F)cc1 ZINC001592682733 979107009 /nfs/dbraw/zinc/10/70/09/979107009.db2.gz RJAKWCMATOEZIZ-OLZOCXBDSA-N -1 0 344.386 3.939 20 0 EHADRM CC[C@H](C)n1ncc(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)c1C ZINC001595024060 979122910 /nfs/dbraw/zinc/12/29/10/979122910.db2.gz NRPROTYTYXJOPY-JTQLQIEISA-N -1 0 340.383 3.594 20 0 EHADRM C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1c(Cl)cccc1Cl ZINC001592692417 979139788 /nfs/dbraw/zinc/13/97/88/979139788.db2.gz KPPBRPIFUCCWFE-GARJFASQSA-N -1 0 344.238 3.714 20 0 EHADRM CC[C@@H](C)n1ncc(C(=O)OCc2cc(C(=O)[O-])sc2C)c1C ZINC001595027327 979142815 /nfs/dbraw/zinc/14/28/15/979142815.db2.gz SJDRIXCFZXHOGY-SECBINFHSA-N -1 0 336.413 3.588 20 0 EHADRM CC[C@@H](C)n1nccc1C(=O)Nc1ccc(OC(C)C)cc1C(=O)[O-] ZINC001595028032 979147525 /nfs/dbraw/zinc/14/75/25/979147525.db2.gz BXCHTCFVDMKLOM-GFCCVEGCSA-N -1 0 345.399 3.592 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N(Cc2cccc(F)c2)C2CC2)cc1F ZINC000833318519 979156662 /nfs/dbraw/zinc/15/66/62/979156662.db2.gz IKWSAKBEKYQMQP-UHFFFAOYSA-N -1 0 346.333 3.860 20 0 EHADRM CC[C@@H](CC(=O)N[C@H](C(=O)[O-])c1cccc(O)c1)c1ccc(C)cc1 ZINC001595033531 979176437 /nfs/dbraw/zinc/17/64/37/979176437.db2.gz MOFQJGZZXRHQKM-LIRRHRJNSA-N -1 0 341.407 3.526 20 0 EHADRM CC[C@@H](CC(=O)Nc1sc2c(c1C(=O)[O-])CCOC2)C(C)C ZINC001595036943 979200877 /nfs/dbraw/zinc/20/08/77/979200877.db2.gz JTJIIGHJDMLVNU-JTQLQIEISA-N -1 0 325.430 3.530 20 0 EHADRM CC[C@@H](CC(=O)NCCc1ccc(C(=O)[O-])cc1OC)C(C)(C)C ZINC001595037256 979204894 /nfs/dbraw/zinc/20/48/94/979204894.db2.gz WBZCVJYWTBGGAH-HNNXBMFYSA-N -1 0 335.444 3.515 20 0 EHADRM CC[C@H](CC(F)(F)F)c1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC001595042754 979238771 /nfs/dbraw/zinc/23/87/71/979238771.db2.gz TXTFBUAOSCWXDL-SECBINFHSA-N -1 0 344.289 3.793 20 0 EHADRM C[C@H](CNc1ccc(C(=O)NCCC(=O)[O-])cc1)C1CCCCC1 ZINC001592730864 979252366 /nfs/dbraw/zinc/25/23/66/979252366.db2.gz YZIDYKHVQOHKLU-CQSZACIVSA-N -1 0 332.444 3.519 20 0 EHADRM CCCCCC[C@H](CC)C(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000836750928 979254587 /nfs/dbraw/zinc/25/45/87/979254587.db2.gz MKGVXDGZMUGXHQ-WFASDCNBSA-N -1 0 337.382 3.849 20 0 EHADRM CCC(CC)(C(=O)[O-])c1csc([C@H](C)NC(=O)OC(C)(C)C)n1 ZINC001595047960 979262355 /nfs/dbraw/zinc/26/23/55/979262355.db2.gz QPGXSCUDNOHSPR-JTQLQIEISA-N -1 0 342.461 3.871 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cncc(-c2ccc(C)cc2)c1 ZINC001595053228 979284431 /nfs/dbraw/zinc/28/44/31/979284431.db2.gz HBHHMQQDHHCXCC-UHFFFAOYSA-N -1 0 340.423 3.820 20 0 EHADRM O=C([O-])c1ccc(CNc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)cc1 ZINC000840994748 979293930 /nfs/dbraw/zinc/29/39/30/979293930.db2.gz CCMJFMQFAMDWSY-RTBURBONSA-N -1 0 341.407 3.679 20 0 EHADRM Cc1cc(NCc2c(Cl)n(C)nc2C(F)(F)F)ccc1C(=O)[O-] ZINC000840997255 979298875 /nfs/dbraw/zinc/29/88/75/979298875.db2.gz VFSMCHJBHPMAIY-UHFFFAOYSA-N -1 0 347.724 3.711 20 0 EHADRM CCC(CC)(CCOC(=O)c1cc(=O)[nH]c2ccc(F)cc21)C(=O)[O-] ZINC001595059950 979312780 /nfs/dbraw/zinc/31/27/80/979312780.db2.gz XJYHKFCZCYPVFB-UHFFFAOYSA-N -1 0 349.358 3.517 20 0 EHADRM C[C@@H](Cc1ccc(NC[C@@H]2CCOc3ccccc32)cc1)C(=O)[O-] ZINC000841812519 979314356 /nfs/dbraw/zinc/31/43/56/979314356.db2.gz WKRIAFDJVHAMQN-HOCLYGCPSA-N -1 0 325.408 3.928 20 0 EHADRM O=C([O-])[C@H]1CCN(Cc2cc(Cl)nc(Cl)c2)c2ccccc21 ZINC000842469875 979317962 /nfs/dbraw/zinc/31/79/62/979317962.db2.gz PHMFWJIWQWISDE-LBPRGKRZSA-N -1 0 337.206 3.967 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccccc1-c1nccs1)C(=O)[O-] ZINC001595071410 979341198 /nfs/dbraw/zinc/34/11/98/979341198.db2.gz YNGWHGYOSUZESG-UHFFFAOYSA-N -1 0 347.440 3.823 20 0 EHADRM CCC(CC)(NC(=O)C[C@@H](C)CC(=O)[O-])c1ccc(Cl)cc1 ZINC001595090595 979382744 /nfs/dbraw/zinc/38/27/44/979382744.db2.gz JBPVPULWLRMCLB-GFCCVEGCSA-N -1 0 325.836 3.972 20 0 EHADRM C[C@H](NC(=O)/C=C\C1CCCCCC1)c1ccc(OCC(=O)[O-])cc1 ZINC000846120195 979407985 /nfs/dbraw/zinc/40/79/85/979407985.db2.gz MMXDTFGAWOHWSD-ODDCISTRSA-N -1 0 345.439 3.854 20 0 EHADRM CCC(CC)CC(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001595109540 979442923 /nfs/dbraw/zinc/44/29/23/979442923.db2.gz HODOOFCXLBSLLY-UHFFFAOYSA-N -1 0 346.452 3.951 20 0 EHADRM CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851594065 979504294 /nfs/dbraw/zinc/50/42/94/979504294.db2.gz FPSRNKGTUIAWRN-RYWCDNDXSA-N -1 0 331.393 3.589 20 0 EHADRM CCC(CC)n1nc(C(=O)O[C@H](C(=O)[O-])c2ccsc2)cc1C ZINC001595124534 979505064 /nfs/dbraw/zinc/50/50/64/979505064.db2.gz LQZUFNUJPORLFU-AWEZNQCLSA-N -1 0 336.413 3.597 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccc(/C=C/C(=O)[O-])o2)o1 ZINC000851595827 979509135 /nfs/dbraw/zinc/50/91/35/979509135.db2.gz LJIACRCNOLIUMY-XYZMPQSBSA-N -1 0 343.379 3.892 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(/C=C/C(=O)[O-])o2)c1C ZINC000851595596 979509449 /nfs/dbraw/zinc/50/94/49/979509449.db2.gz OSSWAOWXRYCVHF-KAMXEHQASA-N -1 0 339.391 3.972 20 0 EHADRM O=C([O-])CCCCCCNC(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000851598509 979516029 /nfs/dbraw/zinc/51/60/29/979516029.db2.gz WSABVBYLFRAVKZ-ZWKOTPCHSA-N -1 0 331.456 3.797 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC001595126577 979519113 /nfs/dbraw/zinc/51/91/13/979519113.db2.gz VWRYDCREUIUGJW-UHFFFAOYSA-N -1 0 349.475 3.708 20 0 EHADRM C[C@@H]1CCCN(C(=O)c2ccc(/C=C\C(=O)[O-])o2)c2ccccc21 ZINC000851602855 979524182 /nfs/dbraw/zinc/52/41/82/979524182.db2.gz BTSRLIBXLXHILU-PRWOLLLXSA-N -1 0 325.364 3.922 20 0 EHADRM C[C@@H](CSC(F)(F)F)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC001592824150 979536227 /nfs/dbraw/zinc/53/62/27/979536227.db2.gz FKCWSOJMNNNSJS-JQWIXIFHSA-N -1 0 349.374 3.598 20 0 EHADRM CCN(C(=O)CCCC(=O)[O-])[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000852956773 979590410 /nfs/dbraw/zinc/59/04/10/979590410.db2.gz GXYIBKZQTSRVMV-GFCCVEGCSA-N -1 0 345.361 3.740 20 0 EHADRM CO[C@@H](C)c1nc(C)c(C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)s1 ZINC000588592323 1032096482 /nfs/dbraw/zinc/09/64/82/1032096482.db2.gz LKFVRNSVOWFRBA-WDDYJBPVSA-N -1 0 346.408 3.509 20 0 EHADRM CC(C)N(C)c1ccc(CNc2ccc(C(C)(C)C(=O)[O-])cc2)cn1 ZINC000859810676 979641124 /nfs/dbraw/zinc/64/11/24/979641124.db2.gz UJWCNHCBUBHPGP-UHFFFAOYSA-N -1 0 341.455 3.901 20 0 EHADRM CC[C@@H](CNC(=O)Nc1ccc(-c2ccccc2)cc1C)C(=O)[O-] ZINC001595153030 979650217 /nfs/dbraw/zinc/65/02/17/979650217.db2.gz RJHIIJHZRCSXEC-AWEZNQCLSA-N -1 0 326.396 3.894 20 0 EHADRM CC[C@@](CNC(=O)Nc1ccccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001595155215 979663990 /nfs/dbraw/zinc/66/39/90/979663990.db2.gz YMGGKYMADNEREA-SFHVURJKSA-N -1 0 346.814 3.894 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N(C)CC2CCCCC2)cc1)C(=O)[O-] ZINC001592859351 979681605 /nfs/dbraw/zinc/68/16/05/979681605.db2.gz RGKIPYIAABKMGN-AWEZNQCLSA-N -1 0 332.444 3.994 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N2CCC(C3CC3)CC2)cc1)C(=O)[O-] ZINC001592860260 979689550 /nfs/dbraw/zinc/68/95/50/979689550.db2.gz GTARTAJWDUZFMX-CYBMUJFWSA-N -1 0 330.428 3.604 20 0 EHADRM CC[C@@H](CNC(=O)c1ccc(-c2ccc(F)cc2C)c(F)c1)C(=O)[O-] ZINC001595160943 979689957 /nfs/dbraw/zinc/68/99/57/979689957.db2.gz ZBPWVWQMOMEHMR-LBPRGKRZSA-N -1 0 347.361 3.781 20 0 EHADRM Cc1ccc(C(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1C(=O)[O-] ZINC000864105759 979693312 /nfs/dbraw/zinc/69/33/12/979693312.db2.gz OGXAUTSPWJYOBU-QGZVFWFLSA-N -1 0 327.355 3.810 20 0 EHADRM CC[C@H](CNC(=O)c1ccccc1Sc1ccccc1)C(=O)[O-] ZINC001595163405 979695736 /nfs/dbraw/zinc/69/57/36/979695736.db2.gz OJSPYBBXIUUEBP-CYBMUJFWSA-N -1 0 329.421 3.678 20 0 EHADRM Cc1ccc(C[C@H]2CCCN2C(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC000864108038 979697133 /nfs/dbraw/zinc/69/71/33/979697133.db2.gz JMGJEFHKBCJPRC-HGPCXVNDSA-N -1 0 339.391 3.533 20 0 EHADRM COc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000864107932 979697307 /nfs/dbraw/zinc/69/73/07/979697307.db2.gz DZEZSWYAQRKNMX-KRWDZBQOSA-N -1 0 339.391 3.679 20 0 EHADRM CC(C)[C@@H](c1ccccc1)N(C)C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000864110677 979701433 /nfs/dbraw/zinc/70/14/33/979701433.db2.gz VZHDHWSMTAWTGJ-LPADLIQXSA-N -1 0 327.380 3.847 20 0 EHADRM CC(C)[C@H](c1ccccc1)N(C)C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000864110676 979701468 /nfs/dbraw/zinc/70/14/68/979701468.db2.gz VZHDHWSMTAWTGJ-HJCTWCACSA-N -1 0 327.380 3.847 20 0 EHADRM CCC[C@@](C)(NC(=O)/C=C/c1csc(C(F)(F)F)c1)C(=O)[O-] ZINC000864113175 979704984 /nfs/dbraw/zinc/70/49/84/979704984.db2.gz PVHUQUKGWPGVPE-MUBLQREKSA-N -1 0 335.347 3.540 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1cc(OCc2ccccc2)cs1 ZINC000864115980 979708392 /nfs/dbraw/zinc/70/83/92/979708392.db2.gz KJJNSJUFTKMVBD-UHFFFAOYSA-N -1 0 347.436 3.700 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N[C@H]2CC3CCC2CC3)cc1)C(=O)[O-] ZINC001592866957 979713223 /nfs/dbraw/zinc/71/32/23/979713223.db2.gz NCDXGZZGUKSRLB-AIDBPNLOSA-N -1 0 330.428 3.650 20 0 EHADRM O=C([O-])CCCCCNC(=O)/C=C/c1ccc(F)c2ccccc12 ZINC000864120596 979716285 /nfs/dbraw/zinc/71/62/85/979716285.db2.gz ZAAGIWKUWQOCOR-ZRDIBKRKSA-N -1 0 329.371 3.753 20 0 EHADRM CN(C(=O)/C=C\c1ccc(C(=O)[O-])o1)[C@H]1CCCc2ccccc21 ZINC000864125274 979725180 /nfs/dbraw/zinc/72/51/80/979725180.db2.gz QUEBDVQVXJOCGW-DMIOIOJGSA-N -1 0 325.364 3.527 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2cc[nH]c2C2CCC2)cc1)C(=O)[O-] ZINC001592871893 979725735 /nfs/dbraw/zinc/72/57/35/979725735.db2.gz BMPIXHQPDAFBLP-GFCCVEGCSA-N -1 0 326.396 3.798 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)cc1)C(=O)[O-] ZINC001592873550 979735831 /nfs/dbraw/zinc/73/58/31/979735831.db2.gz VWHDLFBSOZAMIW-DHUIEDIVSA-N -1 0 337.419 3.866 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)o1 ZINC000864143352 979748932 /nfs/dbraw/zinc/74/89/32/979748932.db2.gz IUHURQISTTXSEM-PTSHSFORSA-N -1 0 343.354 3.583 20 0 EHADRM C[C@H](Cc1ccc(NCCC(=O)Nc2cccc(F)c2)cc1)C(=O)[O-] ZINC001592878230 979749595 /nfs/dbraw/zinc/74/95/95/979749595.db2.gz XYEUHMACNKYUST-CYBMUJFWSA-N -1 0 344.386 3.530 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)N[C@H](CC(=O)[O-])C1CCCC1 ZINC001592883416 979760359 /nfs/dbraw/zinc/76/03/59/979760359.db2.gz QMMBMLCTAWKIGJ-MLGOLLRUSA-N -1 0 337.847 3.668 20 0 EHADRM C[C@H](Cc1ccccc1Cl)NC(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001592890333 979777007 /nfs/dbraw/zinc/77/70/07/979777007.db2.gz GJMFJGZUSKVXEP-GFCCVEGCSA-N -1 0 346.814 3.720 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)N1CCCc2ccc(C(=O)[O-])cc21 ZINC001592896688 979798071 /nfs/dbraw/zinc/79/80/71/979798071.db2.gz RNULGPFXZBSWBX-ZDUSSCGKSA-N -1 0 341.382 3.682 20 0 EHADRM CC(C)[C@H]1CN(C(=O)c2ccc(/C=C/C(=O)[O-])o2)c2ccccc21 ZINC000864177945 979823172 /nfs/dbraw/zinc/82/31/72/979823172.db2.gz UBPXQKUKIDGLOR-TUPIDYKKSA-N -1 0 325.364 3.777 20 0 EHADRM CCc1ccc(N(CC2CC2)C(=O)c2cccc(CC(=O)[O-])c2)cc1 ZINC000864189021 979838600 /nfs/dbraw/zinc/83/86/00/979838600.db2.gz MVMHTJXJHIAIOX-UHFFFAOYSA-N -1 0 337.419 3.933 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)c1cc(Cl)cc(C(F)(F)F)c1)C1CC1 ZINC000864204366 979886569 /nfs/dbraw/zinc/88/65/69/979886569.db2.gz XFHMWPNHRNVZJI-AWEZNQCLSA-N -1 0 349.736 3.732 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N[C@](C)(CC(=O)[O-])C3CC3)s2)o1 ZINC000864204469 979886812 /nfs/dbraw/zinc/88/68/12/979886812.db2.gz ZWAAKSBTEKRIBX-QGZVFWFLSA-N -1 0 333.409 3.690 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NCC2(c3cccc(Cl)c3)CCC2)C1 ZINC000864217499 979906754 /nfs/dbraw/zinc/90/67/54/979906754.db2.gz YIUUGHUJONTABC-UONOGXRCSA-N -1 0 349.858 3.769 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NCC2(c3cccc(Cl)c3)CCC2)C1 ZINC000864217500 979906922 /nfs/dbraw/zinc/90/69/22/979906922.db2.gz YIUUGHUJONTABC-ZIAGYGMSSA-N -1 0 349.858 3.769 20 0 EHADRM CCOC1CC2(C[C@H]2C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)C1 ZINC000864225170 979910054 /nfs/dbraw/zinc/91/00/54/979910054.db2.gz OZIXBRMVPYWHOP-WSGJVKOYSA-N -1 0 339.391 3.682 20 0 EHADRM COc1ccc(C2CC2)c(NC(=O)c2cc(C)cc(C(=O)[O-])c2)c1 ZINC000864226147 979912146 /nfs/dbraw/zinc/91/21/46/979912146.db2.gz RFEVQIRPWYSJAG-UHFFFAOYSA-N -1 0 325.364 3.832 20 0 EHADRM Cc1ccsc1[C@H]1C[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1 ZINC000864229815 979926224 /nfs/dbraw/zinc/92/62/24/979926224.db2.gz MRKBMGINCVLGNF-XHSDSOJGSA-N -1 0 343.448 3.801 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)CCc2cc(F)ccc2F)c1 ZINC000864230472 979928907 /nfs/dbraw/zinc/92/89/07/979928907.db2.gz YAXCPANBHDKSBV-QGZVFWFLSA-N -1 0 347.361 3.538 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001595210915 979986032 /nfs/dbraw/zinc/98/60/32/979986032.db2.gz LWCAUCOTQIPLNL-MOPGFXCFSA-N -1 0 345.483 3.961 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001595211309 979990737 /nfs/dbraw/zinc/99/07/37/979990737.db2.gz RKFLSQSIAURNME-AWEZNQCLSA-N -1 0 327.380 3.601 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)O[C@@H](C)c1nc(C(=O)[O-])co1 ZINC001595212209 979998070 /nfs/dbraw/zinc/99/80/70/979998070.db2.gz YIQVSTVRWPCNDO-GXTWGEPZSA-N -1 0 331.368 3.554 20 0 EHADRM CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001595212422 980000181 /nfs/dbraw/zinc/00/01/81/980000181.db2.gz CYYKOYCCXPCECG-INIZCTEOSA-N -1 0 326.396 3.836 20 0 EHADRM CC(F)(F)CC(=O)O[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001592936466 980001357 /nfs/dbraw/zinc/00/13/57/980001357.db2.gz XTJPPTORMVTICF-SNVBAGLBSA-N -1 0 327.110 3.708 20 0 EHADRM CC(F)(F)c1ccccc1NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001592944099 980019256 /nfs/dbraw/zinc/01/92/56/980019256.db2.gz JSAVXPFTQVOCNZ-CMPLNLGQSA-N -1 0 326.343 3.563 20 0 EHADRM CC(F)(F)c1ccccc1NC(=O)NCCc1ccccc1C(=O)[O-] ZINC001592944096 980019537 /nfs/dbraw/zinc/01/95/37/980019537.db2.gz JOUCMFVQCTXANO-UHFFFAOYSA-N -1 0 348.349 3.861 20 0 EHADRM CC1(C)[C@@H](c2ccccc2F)CC[N@@H+]1Cc1nc(C(=O)[O-])cs1 ZINC000872164436 980058182 /nfs/dbraw/zinc/05/81/82/980058182.db2.gz ICQRBGRZYSMEPO-GFCCVEGCSA-N -1 0 334.416 3.749 20 0 EHADRM CCC(F)(F)c1ccccc1NC(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001595225478 980073213 /nfs/dbraw/zinc/07/32/13/980073213.db2.gz LYVJLSBGPJYXLU-PWSUYJOCSA-N -1 0 326.343 3.563 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)C2CC(c3ccc(F)cc3)C2)c1 ZINC000872718621 980098851 /nfs/dbraw/zinc/09/88/51/980098851.db2.gz BASYUZOISLDFKF-UHFFFAOYSA-N -1 0 341.382 3.975 20 0 EHADRM CC[C@@](NC(=O)C1=CC[C@H](C)CC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595237127 980141876 /nfs/dbraw/zinc/14/18/76/980141876.db2.gz YICFTJCJOGMRAX-SGTLLEGYSA-N -1 0 335.831 3.893 20 0 EHADRM CC[C@@](NC(=O)C[C@@H]1C[C@H]1C1CC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595243067 980171131 /nfs/dbraw/zinc/17/11/31/980171131.db2.gz RQSHVNHGESEOPC-QITLCBANSA-N -1 0 335.831 3.582 20 0 EHADRM CC[C@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C)c1cccc2ccccc21 ZINC001595246586 980184734 /nfs/dbraw/zinc/18/47/34/980184734.db2.gz BGLLXLOUWSOBMR-YEWWUXTCSA-N -1 0 340.423 3.796 20 0 EHADRM CC[C@H](NC(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001595250685 980209115 /nfs/dbraw/zinc/20/91/15/980209115.db2.gz UZSFSCDETDBOSS-YLVFBTJISA-N -1 0 338.835 3.543 20 0 EHADRM CO[C@H]1CC[C@H](C(=O)Nc2scc(-c3ccccc3)c2C(=O)[O-])C1 ZINC000887328340 980220101 /nfs/dbraw/zinc/22/01/01/980220101.db2.gz VCBDNGXZCRFVAT-STQMWFEESA-N -1 0 345.420 3.867 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NCc2csc(C(F)(F)F)n2)cc1 ZINC000900043625 980239870 /nfs/dbraw/zinc/23/98/70/980239870.db2.gz WQTNCXKXHICSCY-NWDGAFQWSA-N -1 0 342.342 3.962 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)[C@@H]1CCCO1 ZINC001595258781 980258323 /nfs/dbraw/zinc/25/83/23/980258323.db2.gz ZYEMOVVZUREVNK-OLZOCXBDSA-N -1 0 348.424 3.679 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1cccc2ccccc21 ZINC001595265970 980279289 /nfs/dbraw/zinc/27/92/89/980279289.db2.gz OIAOIHFVRUAPDT-QGZVFWFLSA-N -1 0 334.375 3.814 20 0 EHADRM CC[C@@](NC(=O)c1ccc(C)c(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC001595269095 980283084 /nfs/dbraw/zinc/28/30/84/980283084.db2.gz KFJSZNJVBRWYHW-SFHVURJKSA-N -1 0 331.799 3.768 20 0 EHADRM CC[C@H](NC(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccc(F)cc1F ZINC001595269135 980283199 /nfs/dbraw/zinc/28/31/99/980283199.db2.gz NDCOXIQQVICMMT-INIZCTEOSA-N -1 0 333.334 3.853 20 0 EHADRM CC[C@](NC(=O)c1nc2ccccc2cc1C)(C(=O)[O-])c1ccccc1 ZINC001595276074 980298302 /nfs/dbraw/zinc/29/83/02/980298302.db2.gz CJUCSIVSDPMHNR-OAQYLSRUSA-N -1 0 348.402 3.663 20 0 EHADRM C[C@H](NC(=O)Cc1cccc(C(=O)[O-])c1)c1c(F)cccc1Cl ZINC001593040765 980326167 /nfs/dbraw/zinc/32/61/67/980326167.db2.gz XLZKFMXGCXXVSH-JTQLQIEISA-N -1 0 335.762 3.597 20 0 EHADRM CCO[P@@](C)(=O)CC[C@@H](C)Nc1cccc(CCC(=O)[O-])c1 ZINC000901554949 980380601 /nfs/dbraw/zinc/38/06/01/980380601.db2.gz JEFFYNCGSOXLSB-MCMMXHMISA-N -1 0 327.361 3.839 20 0 EHADRM CC[C@](NCc1noc2c1CCCC2)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595304874 980441277 /nfs/dbraw/zinc/44/12/77/980441277.db2.gz ATGXZMZGVXMUFB-GOSISDBHSA-N -1 0 348.830 3.687 20 0 EHADRM COCc1cc(N[C@@H](C)[C@@H](OC)c2ccccc2)cc(C(=O)[O-])c1 ZINC000901735382 980471051 /nfs/dbraw/zinc/47/10/51/980471051.db2.gz ZZMILLYRRFAJMX-SCLBCKFNSA-N -1 0 329.396 3.719 20 0 EHADRM Cc1ccc(CNc2ccc(N3CCCCC3)c(C(=O)[O-])c2)nc1 ZINC000901778178 980509226 /nfs/dbraw/zinc/50/92/26/980509226.db2.gz VSPWHZOMSIVFQU-UHFFFAOYSA-N -1 0 325.412 3.691 20 0 EHADRM CCN(CC)c1ncc(CNc2cccc([C@H](C)C(=O)[O-])c2)s1 ZINC000901817439 980537608 /nfs/dbraw/zinc/53/76/08/980537608.db2.gz QTZIKAQGBDGICU-LBPRGKRZSA-N -1 0 333.457 3.790 20 0 EHADRM Cc1ccc([C@H](NCc2ccc(Br)o2)C(=O)[O-])cc1C ZINC000901848574 980572825 /nfs/dbraw/zinc/57/28/25/980572825.db2.gz FKUYJMKYWWTCSW-AWEZNQCLSA-N -1 0 338.201 3.574 20 0 EHADRM CC[C@H](OC(=O)/C=C\c1cc(C(=O)[O-])co1)c1cccc(OC)c1 ZINC001595336256 980592594 /nfs/dbraw/zinc/59/25/94/980592594.db2.gz IMAULKAWGHOBMC-PTZVLDCSSA-N -1 0 330.336 3.694 20 0 EHADRM CC[C@@H](OC(=O)c1cccc(CC(=O)[O-])c1)c1cccc(OC)c1 ZINC001595351715 980660512 /nfs/dbraw/zinc/66/05/12/980660512.db2.gz KDAUVCSFLKSMJZ-QGZVFWFLSA-N -1 0 328.364 3.630 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)OC1CCC(CC(=O)[O-])CC1 ZINC001595355629 980703848 /nfs/dbraw/zinc/70/38/48/980703848.db2.gz GXXZRSVNCSVDEU-BCLQGDPASA-N -1 0 326.433 3.691 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)Nc1c(F)ccc(F)c1C(=O)[O-] ZINC001595356309 980710953 /nfs/dbraw/zinc/71/09/53/980710953.db2.gz AERYWBRXGMJMFT-CYBMUJFWSA-N -1 0 349.333 3.768 20 0 EHADRM Cc1cc(CNc2ccccc2OCC(F)(F)F)oc1C(=O)[O-] ZINC000902091567 980728518 /nfs/dbraw/zinc/72/85/18/980728518.db2.gz JHIZEXGCKDTBEX-UHFFFAOYSA-N -1 0 329.274 3.839 20 0 EHADRM CC[C@H](c1ccc(F)cc1F)[S@@](=O)Cc1nc(C(=O)[O-])cs1 ZINC001595359817 980745031 /nfs/dbraw/zinc/74/50/31/980745031.db2.gz KZJZWJSIWQEQLB-IPQOISQHSA-N -1 0 345.392 3.520 20 0 EHADRM Cc1ccc(NC(=O)C(C)C)cc1NCc1ccc(/C=C\C(=O)[O-])o1 ZINC000902124299 980746180 /nfs/dbraw/zinc/74/61/80/980746180.db2.gz AWNACBRCKVEOEV-HJWRWDBZSA-N -1 0 342.395 3.892 20 0 EHADRM COc1ccc(NCc2cc(C(=O)[O-])co2)cc1OC1CCCC1 ZINC000902132808 980750779 /nfs/dbraw/zinc/75/07/79/980750779.db2.gz REHNAXHZKHGQSQ-UHFFFAOYSA-N -1 0 331.368 3.920 20 0 EHADRM C[C@H](Nc1cccc(COCC(F)(F)C(F)F)c1)[C@@H]1C[C@H]1C(=O)[O-] ZINC000902141447 980753595 /nfs/dbraw/zinc/75/35/95/980753595.db2.gz YJACQAWNCSEFEU-TVYUQYBPSA-N -1 0 349.324 3.625 20 0 EHADRM CCc1oc(CNc2ccc(OC[C@H]3CCCO3)cc2)cc1C(=O)[O-] ZINC000902148347 980758035 /nfs/dbraw/zinc/75/80/35/980758035.db2.gz NXAWXOXHDKFBKZ-OAHLLOKOSA-N -1 0 345.395 3.710 20 0 EHADRM O=C([O-])c1ccc(CNc2ccc(C(=O)NC3CCCCC3)cc2)o1 ZINC000902166611 980765245 /nfs/dbraw/zinc/76/52/45/980765245.db2.gz AEHGNTJBDJGCIQ-UHFFFAOYSA-N -1 0 342.395 3.652 20 0 EHADRM CC[C@H](c1nnc(NC(=O)C[C@H](C)CC(=O)[O-])s1)c1ccccc1 ZINC001595364644 980796145 /nfs/dbraw/zinc/79/61/45/980796145.db2.gz UOPSDUVJMXQGHP-AAEUAGOBSA-N -1 0 347.440 3.519 20 0 EHADRM CCCN(Cc1c(C)nn(CCC(=O)[O-])c1C)Cc1ccccc1F ZINC000902238836 980796166 /nfs/dbraw/zinc/79/61/66/980796166.db2.gz GPEYHTBCMVCNNC-UHFFFAOYSA-N -1 0 347.434 3.526 20 0 EHADRM CC[C@]1(C)CCCN(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC001595368853 980832082 /nfs/dbraw/zinc/83/20/82/980832082.db2.gz LZPDLVNLDBSEDA-FRQCXROJSA-N -1 0 330.428 3.919 20 0 EHADRM Cc1ccc(N[C@H]2CCC[C@H](CCCC(=O)[O-])C2)cc1C(=O)N(C)C ZINC000902337787 980837929 /nfs/dbraw/zinc/83/79/29/980837929.db2.gz MJFJOXSCVTVCPP-CVEARBPZSA-N -1 0 346.471 3.922 20 0 EHADRM CC[C@@]1(C)CN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CCO1 ZINC001595370076 980838565 /nfs/dbraw/zinc/83/85/65/980838565.db2.gz ADWSCBPSUDFHPG-ZFWWWQNUSA-N -1 0 332.227 3.620 20 0 EHADRM CCC1(CC)[C@H](NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)[C@H](C)[C@@H]1OC ZINC001595374340 980882966 /nfs/dbraw/zinc/88/29/66/980882966.db2.gz XTMIOMRWJGBHCB-MAZHCROVSA-N -1 0 348.443 3.654 20 0 EHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1NCC(F)(F)c1cc(F)cc(F)c1 ZINC000902507368 980913851 /nfs/dbraw/zinc/91/38/51/980913851.db2.gz RISQFPOCRBNNHH-RULNRJAQSA-N -1 0 333.325 3.536 20 0 EHADRM CCC1(CNC(=O)Nc2ccc(C(=O)[O-])cc2N(C)C)CCCC1 ZINC001595378918 980916086 /nfs/dbraw/zinc/91/60/86/980916086.db2.gz PQZFAWIBFYMRKU-UHFFFAOYSA-N -1 0 333.432 3.543 20 0 EHADRM CC[C@H]1CN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)[C@@H](C)CO1 ZINC000902534878 980926449 /nfs/dbraw/zinc/92/64/49/980926449.db2.gz VENUAZVNMZTJLP-KBPBESRZSA-N -1 0 329.396 3.644 20 0 EHADRM COc1cccc([C@H]2C[C@H]([N@H+](C)Cc3cc(C)c(C(=O)[O-])o3)C2)c1 ZINC000902547849 980929038 /nfs/dbraw/zinc/92/90/38/980929038.db2.gz UZXYBBLWWPTSRA-SHTZXODSSA-N -1 0 329.396 3.673 20 0 EHADRM CC[C@]1(Cc2ccccc2)CCCN1C(=O)CC(C)(C)CC(=O)[O-] ZINC001595384126 980930483 /nfs/dbraw/zinc/93/04/83/980930483.db2.gz NCXWCRBCQPAQDV-HXUWFJFHSA-N -1 0 331.456 3.891 20 0 EHADRM CC[C@@H]1C[C@H](C)CN1C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001595408372 980998272 /nfs/dbraw/zinc/99/82/72/980998272.db2.gz JLPJKMULBHSCPA-WCBMZHEXSA-N -1 0 328.771 3.830 20 0 EHADRM CCC1CCC(NC(=O)[C@@H]2[C@H](C)[C@H]2c2ccccc2)(C(=O)[O-])CC1 ZINC001595420654 981037329 /nfs/dbraw/zinc/03/73/29/981037329.db2.gz WCZYLMQPZSFRNL-SCXGIQTASA-N -1 0 329.440 3.576 20 0 EHADRM CCC1CCC(NC(=O)C[C@@H]2CCc3ccccc32)(C(=O)[O-])CC1 ZINC001595420717 981037799 /nfs/dbraw/zinc/03/77/99/981037799.db2.gz GIZJKQAUEHAWFO-FXUPRZHBSA-N -1 0 329.440 3.646 20 0 EHADRM CSCC1CCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)CC1 ZINC000903917609 981038116 /nfs/dbraw/zinc/03/81/16/981038116.db2.gz VWEUWTFUMQGPMS-UHFFFAOYSA-N -1 0 346.452 3.615 20 0 EHADRM CCC1CCC(NC(=O)c2ccc(C)c(Cl)c2F)(C(=O)[O-])CC1 ZINC001595424837 981044100 /nfs/dbraw/zinc/04/41/00/981044100.db2.gz ROPNEYIFMBNZHL-UHFFFAOYSA-N -1 0 341.810 3.941 20 0 EHADRM CC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC001595435414 981064358 /nfs/dbraw/zinc/06/43/58/981064358.db2.gz JMGODTBADYAMPZ-ZYHUDNBSSA-N -1 0 341.354 3.794 20 0 EHADRM CC[C@H]1CCC[C@H]1C(=O)Nc1cc(Br)ccc1C(=O)[O-] ZINC001595436365 981068996 /nfs/dbraw/zinc/06/89/96/981068996.db2.gz QTVHTGVTTMXVBB-GXSJLCMTSA-N -1 0 340.217 3.912 20 0 EHADRM CC[C@H]1CCC[C@@H]1C(=O)Nc1cc(Br)ccc1C(=O)[O-] ZINC001595436369 981069179 /nfs/dbraw/zinc/06/91/79/981069179.db2.gz QTVHTGVTTMXVBB-ONGXEEELSA-N -1 0 340.217 3.912 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1CNC(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001595441575 981080026 /nfs/dbraw/zinc/08/00/26/981080026.db2.gz RQCMMJNHWUJEMY-CHWSQXEVSA-N -1 0 334.416 3.731 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1CCOC2(CCCC2)C1 ZINC000905007280 981085772 /nfs/dbraw/zinc/08/57/72/981085772.db2.gz UWPPPZKKRGJXJL-HNNXBMFYSA-N -1 0 331.412 3.625 20 0 EHADRM CC[C@H]1CCC[C@H]1CNC(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001595452214 981112851 /nfs/dbraw/zinc/11/28/51/981112851.db2.gz GWFWPPKYMFLUSM-JSGCOSHPSA-N -1 0 341.411 3.881 20 0 EHADRM CC[C@H]1CCC[C@@H]1CNC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001595456421 981126186 /nfs/dbraw/zinc/12/61/86/981126186.db2.gz QDDOYUNPTHMFAV-JSQNDZKTSA-N -1 0 330.428 3.823 20 0 EHADRM CN(Cc1ccc(Cl)s1)C(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC000907563297 981191605 /nfs/dbraw/zinc/19/16/05/981191605.db2.gz DLUUDOMFYPNRRR-CXAGYDPISA-N -1 0 349.839 3.618 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2ccc(C3CCC3)cn2)C[C@H]1c1ccccc1 ZINC000907765862 981216697 /nfs/dbraw/zinc/21/66/97/981216697.db2.gz HXWKNIVDMHMRHP-OXJNMPFZSA-N -1 0 336.391 3.546 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)CCc2ccccc2C(=O)[O-])cc1C ZINC000907863663 981234494 /nfs/dbraw/zinc/23/44/94/981234494.db2.gz IXXIJLSJROUOCV-CQSZACIVSA-N -1 0 341.407 3.512 20 0 EHADRM CC(C)(C)Oc1cccc(NC(=O)c2cccc(OCC(=O)[O-])c2)c1 ZINC000907970249 981246994 /nfs/dbraw/zinc/24/69/94/981246994.db2.gz GIQORAZLFGZUFR-UHFFFAOYSA-N -1 0 343.379 3.580 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)c1ccc(C(=O)[O-])s1)C(C)(C)C ZINC000908120105 981266612 /nfs/dbraw/zinc/26/66/12/981266612.db2.gz OGQXVJYLXDSKJC-AWEZNQCLSA-N -1 0 332.425 3.667 20 0 EHADRM CC1(C(=O)N[C@H]2CCSC3(CC(C(=O)[O-])C3)C2)CCCCCC1 ZINC000908163301 981273744 /nfs/dbraw/zinc/27/37/44/981273744.db2.gz AGAXRRXEDBJTDM-FVRSWCFKSA-N -1 0 339.501 3.592 20 0 EHADRM CC[C@@H]1c2ccccc2CCN1C(=O)Nc1cnc(C)c(C(=O)[O-])c1 ZINC001595505071 981281096 /nfs/dbraw/zinc/28/10/96/981281096.db2.gz VVYSLWPRCVWTIG-QGZVFWFLSA-N -1 0 339.395 3.630 20 0 EHADRM O=C([O-])C[C@H](Cc1ccccc1)NC(=O)c1sccc1C(F)F ZINC000908242853 981287953 /nfs/dbraw/zinc/28/79/53/981287953.db2.gz JLXDJXABPJZRMZ-NSHDSACASA-N -1 0 339.363 3.502 20 0 EHADRM CC(C)(C)c1ncsc1C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908338605 981303787 /nfs/dbraw/zinc/30/37/87/981303787.db2.gz LIVPYXHIUGZFGN-UHFFFAOYSA-N -1 0 338.473 3.596 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C(F)(F)F)cc2)co1 ZINC000908408500 981313052 /nfs/dbraw/zinc/31/30/52/981313052.db2.gz HYSJKYLTOIZZIJ-ZDUSSCGKSA-N -1 0 341.285 3.553 20 0 EHADRM COc1c(NC(=O)c2cc(C)n(C(C)C)c2C)cccc1C(=O)[O-] ZINC000908507759 981320051 /nfs/dbraw/zinc/32/00/51/981320051.db2.gz NHOLZCVVXPBOEB-UHFFFAOYSA-N -1 0 330.384 3.645 20 0 EHADRM O=C([O-])C12CCC(C(=O)Nc3ccc(OC4CCCC4)cc3)(CC1)C2 ZINC000908718478 981346441 /nfs/dbraw/zinc/34/64/41/981346441.db2.gz ZKHNHSFRLOUAHE-UHFFFAOYSA-N -1 0 343.423 3.982 20 0 EHADRM O=C([O-])c1nc(C(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)cs1 ZINC000908729551 981349059 /nfs/dbraw/zinc/34/90/59/981349059.db2.gz MMHLIKNCRKZATR-OAHLLOKOSA-N -1 0 342.420 3.524 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)NC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000908739302 981351063 /nfs/dbraw/zinc/35/10/63/981351063.db2.gz WWKDXUALXUWRGA-MDAWKPQNSA-N -1 0 349.858 3.812 20 0 EHADRM O=C([O-])C12CC(C(=O)Nc3ccc(NC4CCCCC4)cc3)(C1)C2 ZINC000908771022 981358249 /nfs/dbraw/zinc/35/82/49/981358249.db2.gz LHZKNYPLQYYWEL-UHFFFAOYSA-N -1 0 328.412 3.625 20 0 EHADRM CCCC(=O)Nc1cccc(NCc2nc(C(=O)[O-])cs2)c1C ZINC001595531611 981367198 /nfs/dbraw/zinc/36/71/98/981367198.db2.gz NBMDFUJSVMKMKT-UHFFFAOYSA-N -1 0 333.413 3.500 20 0 EHADRM COc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2C)cc1C1CC1 ZINC000908845608 981376469 /nfs/dbraw/zinc/37/64/69/981376469.db2.gz ZLNRTICLTIHSJT-UHFFFAOYSA-N -1 0 325.364 3.832 20 0 EHADRM CCC[C@H](C(=O)Nc1ccc(C(=O)[O-])nc1)c1ccc(Cl)cc1 ZINC001595536789 981384003 /nfs/dbraw/zinc/38/40/03/981384003.db2.gz DKYXIVOMVNJTRW-AWEZNQCLSA-N -1 0 332.787 3.956 20 0 EHADRM CCC[C@@](C)(CC)C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC001595542994 981404885 /nfs/dbraw/zinc/40/48/85/981404885.db2.gz ZCXVEVYAHJDTPZ-MRXNPFEDSA-N -1 0 335.429 3.991 20 0 EHADRM O=C([O-])c1cc(NC(=O)C2C[C@H]3CC[C@@H](C2)S3)ccc1Cl ZINC000909110819 981418955 /nfs/dbraw/zinc/41/89/55/981418955.db2.gz ABTIBLCEQOJUJV-UQPYNNQESA-N -1 0 325.817 3.651 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C1(Cc2ccc(F)cc2)CC1 ZINC000909134856 981424633 /nfs/dbraw/zinc/42/46/33/981424633.db2.gz XULCNLAKYSQHMH-UHFFFAOYSA-N -1 0 341.382 3.505 20 0 EHADRM CCC[C@](C)(NC(=O)c1ccc(Oc2cccc(C)c2)cn1)C(=O)[O-] ZINC001595553479 981429836 /nfs/dbraw/zinc/42/98/36/981429836.db2.gz LRALCKDHLBEWPT-IBGZPJMESA-N -1 0 342.395 3.556 20 0 EHADRM CCc1c(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)ccn1C ZINC000909227692 981437922 /nfs/dbraw/zinc/43/79/22/981437922.db2.gz QDXUXVCJFWVQGB-UHFFFAOYSA-N -1 0 346.452 3.548 20 0 EHADRM O=C([O-])C[C@H](NCc1ccc(F)cc1F)c1ccc(F)cc1F ZINC000683173681 1014738375 /nfs/dbraw/zinc/73/83/75/1014738375.db2.gz OBHKOZKROUMSHD-HNNXBMFYSA-N -1 0 327.277 3.549 20 0 EHADRM CCC[C@H](C)C(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001595566578 981461922 /nfs/dbraw/zinc/46/19/22/981461922.db2.gz DKPCPWNYPUYAFG-VFZGTOFNSA-N -1 0 332.227 3.846 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CCC[C@H]1CCc1ccccc1 ZINC000909402906 981485592 /nfs/dbraw/zinc/48/55/92/981485592.db2.gz QCUVJPZJHWCMCS-HNNXBMFYSA-N -1 0 327.380 3.524 20 0 EHADRM CC[C@H]1CN(C(=O)c2ccoc2CC(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000909415396 981489663 /nfs/dbraw/zinc/48/96/63/981489663.db2.gz ONBBFRZILBZOLS-HOCLYGCPSA-N -1 0 341.407 3.563 20 0 EHADRM CCC[C@H](CC(C)C)C(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC001595578224 981498981 /nfs/dbraw/zinc/49/89/81/981498981.db2.gz BKHDATMCIZPPIY-ABAIWWIYSA-N -1 0 327.371 3.669 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2ccccc2OC2CC2)cc1)C(=O)[O-] ZINC000909523692 981530061 /nfs/dbraw/zinc/53/00/61/981530061.db2.gz QBYKOTOAYLHZDH-CYBMUJFWSA-N -1 0 339.391 3.743 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000909550319 981538800 /nfs/dbraw/zinc/53/88/00/981538800.db2.gz BLCGJNFKTYAEGH-DSSREEIYSA-N -1 0 341.451 3.816 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000909550321 981538912 /nfs/dbraw/zinc/53/89/12/981538912.db2.gz BLCGJNFKTYAEGH-HQBWRIINSA-N -1 0 341.451 3.816 20 0 EHADRM CCC[C@@H](NC(=O)/C=C\c1cc(C(=O)[O-])co1)c1ccc(F)cc1F ZINC001595598644 981568406 /nfs/dbraw/zinc/56/84/06/981568406.db2.gz MWMWBPJVYUJBCP-GMNBZTITSA-N -1 0 349.333 3.927 20 0 EHADRM CCC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C)C(C)(C)C ZINC001595600130 981577014 /nfs/dbraw/zinc/57/70/14/981577014.db2.gz LFLAPBFDSNQGPM-OAHLLOKOSA-N -1 0 335.448 3.787 20 0 EHADRM CCC[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1C)c1ccccn1 ZINC001595600334 981579103 /nfs/dbraw/zinc/57/91/03/981579103.db2.gz PBNVTVHORQUYNR-HNNXBMFYSA-N -1 0 345.374 3.890 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)CC(C)(C)CC(F)(F)F ZINC000909749354 981589007 /nfs/dbraw/zinc/58/90/07/981589007.db2.gz OUJZQWVULQFVLK-GFCCVEGCSA-N -1 0 345.361 3.857 20 0 EHADRM C[C@@H](c1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C(=O)[O-])cc1)C(F)(F)F ZINC000909780012 981617695 /nfs/dbraw/zinc/61/76/95/981617695.db2.gz IQTDZMQXVJYTBJ-SUNKGSAMSA-N -1 0 343.345 3.678 20 0 EHADRM CCC[C@]1(C)CCCN(C(=O)NCc2ccc(C(=O)[O-])c(OC)c2)C1 ZINC001595616335 981643522 /nfs/dbraw/zinc/64/35/22/981643522.db2.gz RRAFKEKYSIRUMP-LJQANCHMSA-N -1 0 348.443 3.505 20 0 EHADRM CCCC1(CCC)CCCN1C(=O)NCc1cc(C(=O)[O-])c(C)n1C ZINC001595617008 981648161 /nfs/dbraw/zinc/64/81/61/981648161.db2.gz AMLWFBPXSGPXPS-UHFFFAOYSA-N -1 0 349.475 3.676 20 0 EHADRM CC(C)[C@@H](C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1)c1cccnc1 ZINC000909834989 981653259 /nfs/dbraw/zinc/65/32/59/981653259.db2.gz PTUODWFRGOVVCX-CXAGYDPISA-N -1 0 326.396 3.648 20 0 EHADRM CCCC1(CCC)CCCN1S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC001595617542 981654825 /nfs/dbraw/zinc/65/48/25/981654825.db2.gz PVIYQHVVOUBBSH-UHFFFAOYSA-N -1 0 345.486 3.570 20 0 EHADRM CCCC1CCC(N(C)C(=O)Nc2cccc(CC(=O)[O-])n2)CC1 ZINC001595620707 981692422 /nfs/dbraw/zinc/69/24/22/981692422.db2.gz QRUQFUUBZIDNTF-UHFFFAOYSA-N -1 0 333.432 3.531 20 0 EHADRM O=C([O-])C12CCC(C(=O)NCc3cc(Cl)cc(Cl)c3)(CC1)C2 ZINC000909932800 981704686 /nfs/dbraw/zinc/70/46/86/981704686.db2.gz PSFPGRPAUHICSX-UHFFFAOYSA-N -1 0 342.222 3.645 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@H](C)OC1CCCCC1)c1ccccc1 ZINC001594764184 981705160 /nfs/dbraw/zinc/70/51/60/981705160.db2.gz JRFIAXJVVIKYOR-YOEHRIQHSA-N -1 0 333.428 3.621 20 0 EHADRM CCC[C@@H]1CCC[C@H]1C(=O)Nc1cccnc1SCCC(=O)[O-] ZINC001595622651 981712750 /nfs/dbraw/zinc/71/27/50/981712750.db2.gz VCFJMRPKBHUUBP-CHWSQXEVSA-N -1 0 336.457 3.803 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1ccccc1 ZINC001594767405 981725658 /nfs/dbraw/zinc/72/56/58/981725658.db2.gz FXNVPWDIJCHDKA-FAAHXZRKSA-N -1 0 337.366 3.564 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CC[C@H](c2ccc(C)cc2C)C1 ZINC000910020789 981736582 /nfs/dbraw/zinc/73/65/82/981736582.db2.gz FEHJSWPJUSUCTR-AWEZNQCLSA-N -1 0 327.380 3.533 20 0 EHADRM CC(C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F)=C1CCC1 ZINC000910039246 981738536 /nfs/dbraw/zinc/73/85/36/981738536.db2.gz MFLTYZZIZQKIML-UHFFFAOYSA-N -1 0 343.301 3.765 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1nsc2ccccc21)c1ccccc1 ZINC001594770806 981742014 /nfs/dbraw/zinc/74/20/14/981742014.db2.gz OCEGIDVMEGLDPK-AWEZNQCLSA-N -1 0 340.404 3.806 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1cccc(SC)c1)c1ccccc1 ZINC001594771461 981748244 /nfs/dbraw/zinc/74/82/44/981748244.db2.gz ZNCRQLWNZFQGKN-INIZCTEOSA-N -1 0 329.421 3.919 20 0 EHADRM C/C(=C/C(=O)Nc1cc(Br)cc(C(=O)[O-])c1C)C1CC1 ZINC000910089305 981756106 /nfs/dbraw/zinc/75/61/06/981756106.db2.gz VXWHGDMVIYJUJM-YVMONPNESA-N -1 0 338.201 3.751 20 0 EHADRM CC[C@@H](C(=O)O[C@H](C(=O)[O-])c1ccccc1F)c1ccc(OC)cc1 ZINC001594775343 981758510 /nfs/dbraw/zinc/75/85/10/981758510.db2.gz NRMOWXZMCMUIER-PBHICJAKSA-N -1 0 346.354 3.697 20 0 EHADRM CCCC[C@H](C(=O)[O-])N1CC[C@@H]1c1ccc(Br)cc1 ZINC001595628832 981791839 /nfs/dbraw/zinc/79/18/39/981791839.db2.gz NTBIRXAXJKLARC-ZIAGYGMSSA-N -1 0 326.234 3.839 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)C[C@H](C)c1cccc(OC)c1 ZINC001594782789 981792109 /nfs/dbraw/zinc/79/21/09/981792109.db2.gz SQCRHSBQPMLGKN-VBKZILBWSA-N -1 0 347.455 3.681 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)C[C@H]1CCc2ccccc21 ZINC001594782614 981792218 /nfs/dbraw/zinc/79/22/18/981792218.db2.gz SCFWDILWLXCVRT-UZLBHIALSA-N -1 0 329.440 3.598 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000910240599 981807364 /nfs/dbraw/zinc/80/73/64/981807364.db2.gz BFTFJRJJQGGXKL-RISCZKNCSA-N -1 0 343.345 3.870 20 0 EHADRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)C[C@@H](C)C1CC1 ZINC000910256246 981833694 /nfs/dbraw/zinc/83/36/94/981833694.db2.gz WBURNMRWIKINMM-MRVPVSSYSA-N -1 0 340.217 3.830 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N(CC1CC1)c1cccc(C(F)(F)F)c1 ZINC000910270970 981837908 /nfs/dbraw/zinc/83/79/08/981837908.db2.gz SBZQXNPETALMKI-JTQLQIEISA-N -1 0 329.318 3.559 20 0 EHADRM C[C@H]1Cc2c[nH]nc2[C@H](C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)C1 ZINC000910359998 981890726 /nfs/dbraw/zinc/89/07/26/981890726.db2.gz RNBKMNGZACWJCC-APPDUMDISA-N -1 0 349.390 3.566 20 0 EHADRM CCC(C)(C)c1ccc(CNC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC001594814239 981937313 /nfs/dbraw/zinc/93/73/13/981937313.db2.gz KEVRYVLMLKWVLT-BENRWUELSA-N -1 0 341.407 3.995 20 0 EHADRM CCC(C)(C)c1ccc(C(=O)Nc2nc(CC(=O)[O-])cs2)cc1 ZINC001594814460 981939134 /nfs/dbraw/zinc/93/91/34/981939134.db2.gz OXYZNZAABZOJQD-UHFFFAOYSA-N -1 0 332.425 3.710 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CCC[C@H](C)c1cccc(OC)c1 ZINC001594819019 981962307 /nfs/dbraw/zinc/96/23/07/981962307.db2.gz MAEPDNJCDMBBBW-LIRRHRJNSA-N -1 0 335.444 3.729 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1cccc2scnc21 ZINC000910507798 981972667 /nfs/dbraw/zinc/97/26/67/981972667.db2.gz QKRMKTPQAFJTPE-UHFFFAOYSA-N -1 0 334.441 3.505 20 0 EHADRM CCCC[C@@H](S[C@@H](C(=O)[O-])c1ccccc1Cl)C(=O)OC ZINC001595651950 982028810 /nfs/dbraw/zinc/02/88/10/982028810.db2.gz MXKHAJSUQUHZKV-CHWSQXEVSA-N -1 0 330.833 3.931 20 0 EHADRM CCCC[C@@H](SCC(=O)Nc1cc(Cl)ccc1C)C(=O)[O-] ZINC001595654187 982039973 /nfs/dbraw/zinc/03/99/73/982039973.db2.gz BIPRXBZNIHIPHI-CYBMUJFWSA-N -1 0 329.849 3.964 20 0 EHADRM CCCC[C@H](SCc1cc(Br)cnc1OC)C(=O)[O-] ZINC001595654630 982041512 /nfs/dbraw/zinc/04/15/12/982041512.db2.gz FLKZNPLFKAXAJM-NSHDSACASA-N -1 0 348.262 3.729 20 0 EHADRM CCc1c(NC(=O)CC(C)(C)CC(=O)[O-])cnn1-c1cccc(C)c1 ZINC000910656665 982044602 /nfs/dbraw/zinc/04/46/02/982044602.db2.gz OQIRIKBDQSCQGO-UHFFFAOYSA-N -1 0 343.427 3.573 20 0 EHADRM CCCC[C@@H](SCc1nc(Cc2ccccc2C)no1)C(=O)[O-] ZINC001595657327 982061863 /nfs/dbraw/zinc/06/18/63/982061863.db2.gz LOIIHIPVEVQRFR-CQSZACIVSA-N -1 0 334.441 3.845 20 0 EHADRM COc1cc(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)ccc1C ZINC000910696859 982068008 /nfs/dbraw/zinc/06/80/08/982068008.db2.gz JXQHHYLTCWFVPI-UHFFFAOYSA-N -1 0 334.397 3.534 20 0 EHADRM CC(C)c1sc(NC(=O)c2ccn(C3CCCC3)n2)nc1C(=O)[O-] ZINC000910697585 982068667 /nfs/dbraw/zinc/06/86/67/982068667.db2.gz SHVXMIXOGFNOOT-UHFFFAOYSA-N -1 0 348.428 3.529 20 0 EHADRM CC[C@@](C)(NC(=O)c1ccc(Oc2ccccc2)cc1C)C(=O)[O-] ZINC001594846780 982070658 /nfs/dbraw/zinc/07/06/58/982070658.db2.gz RZWLBGWVUJTWFD-LJQANCHMSA-N -1 0 327.380 3.770 20 0 EHADRM CCCCC1CCC(CNC(=O)Nc2ccc(C(=O)[O-])cn2)CC1 ZINC001595661129 982074000 /nfs/dbraw/zinc/07/40/00/982074000.db2.gz PQUSUUYGCZPMEV-UHFFFAOYSA-N -1 0 333.432 3.898 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)c2ccc(CF)cc2)nc1C(=O)[O-] ZINC000910718389 982081125 /nfs/dbraw/zinc/08/11/25/982081125.db2.gz JNYKCIBYGFVFJG-CYBMUJFWSA-N -1 0 348.399 3.597 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)CCC2CCCC2)nc1C(=O)[O-] ZINC000910723840 982087267 /nfs/dbraw/zinc/08/72/67/982087267.db2.gz RQUKWRCUFVXCDE-CYBMUJFWSA-N -1 0 336.457 3.784 20 0 EHADRM CCCCC[C@@](C)(CC)C(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001595666055 982096829 /nfs/dbraw/zinc/09/68/29/982096829.db2.gz DIQMBHFRPFDMPT-NRXYVGEYSA-N -1 0 339.476 3.512 20 0 EHADRM O=C([O-])c1nc(NC(=O)c2sccc2C2CC2)sc1C1CC1 ZINC000910737794 982099426 /nfs/dbraw/zinc/09/94/26/982099426.db2.gz UQSXQXLRPJHZSZ-UHFFFAOYSA-N -1 0 334.422 3.910 20 0 EHADRM O=C([O-])c1nc(NC(=O)C2CCC(C3CC3)CC2)sc1C1CC1 ZINC000910741071 982102286 /nfs/dbraw/zinc/10/22/86/982102286.db2.gz DXTBIQYPRHWGQC-UHFFFAOYSA-N -1 0 334.441 3.874 20 0 EHADRM CCCCC[C@@H](CC)C(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC001595669833 982115113 /nfs/dbraw/zinc/11/51/13/982115113.db2.gz KLQZXUGLKUDYJY-ABAIWWIYSA-N -1 0 327.371 3.813 20 0 EHADRM CCCCC[C@@H](CC)C(=O)N1c2c(cccc2C(=O)[O-])NC(=O)[C@@H]1C ZINC001595671006 982122589 /nfs/dbraw/zinc/12/25/89/982122589.db2.gz XDWDJVORRJQGLO-QWHCGFSZSA-N -1 0 346.427 3.665 20 0 EHADRM CCCCC[C@@H](NC(=O)c1cc(-c2ccccc2)ns1)C(=O)[O-] ZINC001595676741 982148216 /nfs/dbraw/zinc/14/82/16/982148216.db2.gz ONJVAMUXWXWCCZ-CYBMUJFWSA-N -1 0 332.425 3.573 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[C@]1(C)Cc1cccs1 ZINC000911061511 982219625 /nfs/dbraw/zinc/21/96/25/982219625.db2.gz HZOPHVYOMMPZLH-QGZVFWFLSA-N -1 0 333.409 3.585 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000911083750 982230397 /nfs/dbraw/zinc/23/03/97/982230397.db2.gz ZNYYBFQPGCWYEF-LSDHHAIUSA-N -1 0 333.428 3.831 20 0 EHADRM CCN(C(=O)c1ccc(C)cc1O)[C@H](C)Cc1ccc(OC)cc1 ZINC000108983328 1014809317 /nfs/dbraw/zinc/80/93/17/1014809317.db2.gz XWVKSEYZGJGEOL-OAHLLOKOSA-N -1 0 327.424 3.803 20 0 EHADRM O=C([O-])C12CCC(C(=O)NCc3ccc(Cl)cc3F)(CC1)CC2 ZINC000911167951 982265444 /nfs/dbraw/zinc/26/54/44/982265444.db2.gz URQUUDFKIQZTIR-UHFFFAOYSA-N -1 0 339.794 3.521 20 0 EHADRM CCCCCOc1cc(C)ccc1CNC(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001595721173 982335039 /nfs/dbraw/zinc/33/50/39/982335039.db2.gz NPOQMFBRRBVQLJ-UHFFFAOYSA-N -1 0 344.411 3.520 20 0 EHADRM CC(C)N(C)c1cccc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)c1 ZINC000911367773 982385653 /nfs/dbraw/zinc/38/56/53/982385653.db2.gz PRRRDKRRFMMVLF-UHFFFAOYSA-N -1 0 330.428 3.505 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001594908307 982398192 /nfs/dbraw/zinc/39/81/92/982398192.db2.gz FEBXYIUQRWHIPY-HJUHTLPRSA-N -1 0 344.238 3.712 20 0 EHADRM CCCCN(Cc1ccccc1Cl)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001595749227 982421767 /nfs/dbraw/zinc/42/17/67/982421767.db2.gz QZVVQJRYNJKTEY-OKILXGFUSA-N -1 0 338.835 3.515 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)[O-] ZINC001594912778 982425557 /nfs/dbraw/zinc/42/55/57/982425557.db2.gz UJLFONLVHKQRPE-RDDDGLTNSA-N -1 0 337.725 3.588 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCO3)cc1 ZINC000026543489 1014839661 /nfs/dbraw/zinc/83/96/61/1014839661.db2.gz PHLADOVDCJDFQN-ZDUSSCGKSA-N -1 0 331.437 3.936 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000911574500 982512389 /nfs/dbraw/zinc/51/23/89/982512389.db2.gz UNLIFNOZLDQMDS-QAPCUYQASA-N -1 0 341.382 3.519 20 0 EHADRM CCCCOc1ccc(C(=O)COc2ccc(C(=O)[O-])cc2)cc1 ZINC001595774124 982527699 /nfs/dbraw/zinc/52/76/99/982527699.db2.gz IEGQLDOEFFEOHW-UHFFFAOYSA-N -1 0 328.364 3.825 20 0 EHADRM CC1(C)CCC[C@@H]1C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000911597321 982528935 /nfs/dbraw/zinc/52/89/35/982528935.db2.gz FXWLVXOKXCKSGT-QGZVFWFLSA-N -1 0 344.455 3.614 20 0 EHADRM CCCCOc1cccc(NC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)c1 ZINC001595780717 982553298 /nfs/dbraw/zinc/55/32/98/982553298.db2.gz FHPQNHZXCSBHEQ-UHFFFAOYSA-N -1 0 330.384 3.761 20 0 EHADRM CCCCOc1cccc(NC(=O)N2CCC[C@](C)(C(=O)[O-])C2)c1 ZINC001595781186 982560455 /nfs/dbraw/zinc/56/04/55/982560455.db2.gz ZQRDNMZAUGOSIH-SFHVURJKSA-N -1 0 334.416 3.584 20 0 EHADRM CCCCS[C@H](C)C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001595786400 982576746 /nfs/dbraw/zinc/57/67/46/982576746.db2.gz VRWDVYJDQLOFOP-CZUORRHYSA-N -1 0 349.496 3.843 20 0 EHADRM O=C([O-])C12CCC(C(=O)NC[C@@H]3CCC[C@H]3c3ccccc3)(CC1)C2 ZINC000911664946 982593387 /nfs/dbraw/zinc/59/33/87/982593387.db2.gz OBWPYNLSCMMDJC-AMZMEHNNSA-N -1 0 341.451 3.722 20 0 EHADRM CCCCc1ccc([C@H](NC(=O)CC(=O)[O-])c2cccs2)cc1 ZINC001595793005 982593979 /nfs/dbraw/zinc/59/39/79/982593979.db2.gz AFBLCIRCCYFLLJ-SFHVURJKSA-N -1 0 331.437 3.771 20 0 EHADRM CCCCc1ccc(C(=O)N2c3cccc(C)c3C[C@@H]2C(=O)[O-])cc1 ZINC001595794041 982598106 /nfs/dbraw/zinc/59/81/06/982598106.db2.gz WYNVFXCEWLRUFI-LJQANCHMSA-N -1 0 337.419 3.994 20 0 EHADRM CCCCc1ccc(CC(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])cc1 ZINC001595796458 982602125 /nfs/dbraw/zinc/60/21/25/982602125.db2.gz LBRRGETVDVNQJK-XLIONFOSSA-N -1 0 331.456 3.721 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3CC4(CCC4)c4c3cccc4F)(CC1)C2 ZINC000911696300 982603111 /nfs/dbraw/zinc/60/31/11/982603111.db2.gz MBNFAGYCXPHGQP-UHFFFAOYSA-N -1 0 343.398 3.629 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC001594942413 982619334 /nfs/dbraw/zinc/61/93/34/982619334.db2.gz POBBUYVRAPZQPJ-BEFAXECRSA-N -1 0 339.435 3.902 20 0 EHADRM CC1(C)C[C@@H]1NC(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000911770852 982641643 /nfs/dbraw/zinc/64/16/43/982641643.db2.gz HDMWGVXHLSXSLZ-HNNXBMFYSA-N -1 0 345.420 3.798 20 0 EHADRM CCCN(C(=O)C(F)(F)c1ccc(C(C)(C)C)cc1)[C@H](C)C(=O)[O-] ZINC001595813505 982655702 /nfs/dbraw/zinc/65/57/02/982655702.db2.gz KESJYCHLZOCSJX-GFCCVEGCSA-N -1 0 341.398 3.788 20 0 EHADRM Cc1c(NC(=O)/C=C/c2nc3ccccc3s2)cccc1C(=O)[O-] ZINC000914731558 982658276 /nfs/dbraw/zinc/65/82/76/982658276.db2.gz BTXSUXMESQKVNX-MDZDMXLPSA-N -1 0 338.388 3.955 20 0 EHADRM CC[C@H](C)C[C@H](Nc1nn2cc(-c3ccccc3)nc2s1)C(=O)[O-] ZINC001594953401 982679535 /nfs/dbraw/zinc/67/95/35/982679535.db2.gz RVICUKIFVFDUQF-AAEUAGOBSA-N -1 0 344.440 3.759 20 0 EHADRM CC[C@H](C)CCC(=O)N[C@@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC001594956122 982687513 /nfs/dbraw/zinc/68/75/13/982687513.db2.gz BKJAETIMXRMWEI-IINYFYTJSA-N -1 0 347.333 3.653 20 0 EHADRM CCCN(C(=O)c1cc2cccc(Cl)c2s1)[C@H](C)C(=O)[O-] ZINC001595826911 982710702 /nfs/dbraw/zinc/71/07/02/982710702.db2.gz IZOKXEHDBNTQCW-SECBINFHSA-N -1 0 325.817 3.880 20 0 EHADRM CC[C@H](C)CN(C)C(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001594961088 982713714 /nfs/dbraw/zinc/71/37/14/982713714.db2.gz UJDHONKVUAIESJ-VIFPVBQESA-N -1 0 343.221 3.657 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)Nc2cc(C(=O)[O-])sc2C)c1C(C)C ZINC000923096025 982720476 /nfs/dbraw/zinc/72/04/76/982720476.db2.gz YUSHCILXRDUBPA-UHFFFAOYSA-N -1 0 348.424 3.970 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)c1cccc(N2CCCC2)c1 ZINC000923097039 982720984 /nfs/dbraw/zinc/72/09/84/982720984.db2.gz TWSQRCOCZARBAV-UHFFFAOYSA-N -1 0 330.409 3.607 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cc2cccc(Cl)c2nc1C ZINC001594975392 982749185 /nfs/dbraw/zinc/74/91/85/982749185.db2.gz FNXSDTKJSPUUBV-JTQLQIEISA-N -1 0 334.803 3.522 20 0 EHADRM CCCN(CC)c1ccc(C(=O)N[C@@H](CC(=O)[O-])C2CCCC2)cc1 ZINC001595869232 982846124 /nfs/dbraw/zinc/84/61/24/982846124.db2.gz PQUBSDNYGIYWMG-SFHVURJKSA-N -1 0 346.471 3.686 20 0 EHADRM CCCN(CCc1cccs1)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC001595884217 982906732 /nfs/dbraw/zinc/90/67/32/982906732.db2.gz QYZSFCRXZIAJGP-UHFFFAOYSA-N -1 0 338.454 3.994 20 0 EHADRM CC[C@H](C)Sc1ccc(-c2noc([C@@H]3CC[C@H](C(=O)[O-])O3)n2)cc1 ZINC001595004149 982916893 /nfs/dbraw/zinc/91/68/93/982916893.db2.gz HKKRMODMRYRMMA-LEWSCRJBSA-N -1 0 348.424 3.932 20 0 EHADRM C[C@@]1(Cc2ccccc2Cl)CCCN1C(=O)c1ccc(C(=O)[O-])o1 ZINC001118547325 982958302 /nfs/dbraw/zinc/95/83/02/982958302.db2.gz YCDBLVBERURTHZ-SFHVURJKSA-N -1 0 347.798 3.869 20 0 EHADRM CCCNc1ccc(CNC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC001595936642 983076967 /nfs/dbraw/zinc/07/69/67/983076967.db2.gz JYZLCIVXKBIBIJ-UHFFFAOYSA-N -1 0 327.384 3.528 20 0 EHADRM CCCOCC(=O)Nc1c(-c2ccc(C)cc2)csc1C(=O)[O-] ZINC001595945166 983100944 /nfs/dbraw/zinc/10/09/44/983100944.db2.gz HULVDSBXUUFVNE-UHFFFAOYSA-N -1 0 333.409 3.787 20 0 EHADRM CCCOc1ccc(CNc2ccc(C(=O)[O-])cc2OC)cc1OC ZINC001595961084 983155849 /nfs/dbraw/zinc/15/58/49/983155849.db2.gz RONZRZGOFPDYIG-UHFFFAOYSA-N -1 0 345.395 3.803 20 0 EHADRM CCC[C@@H](NC(=O)CCCOc1ccc(C(C)(C)C)cc1C)C(=O)[O-] ZINC001595991652 983243310 /nfs/dbraw/zinc/24/33/10/983243310.db2.gz DXHOSYGVRBZBPX-MRXNPFEDSA-N -1 0 349.471 3.821 20 0 EHADRM CCC[C@@H]1C[C@H]1C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001596008150 983264996 /nfs/dbraw/zinc/26/49/96/983264996.db2.gz PDONYQRMYGDAEF-UPJWGTAASA-N -1 0 329.318 3.541 20 0 EHADRM CCC[C@@H]1C[C@H]1C(=O)Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1 ZINC001596008529 983266695 /nfs/dbraw/zinc/26/66/95/983266695.db2.gz SGIAIWUHDQXABH-CHWSQXEVSA-N -1 0 330.409 3.883 20 0 EHADRM CCC[C@H](NC(=O)[C@@H]1CCC(C)(C)C[C@@H]1c1ccccc1)C(=O)[O-] ZINC001596015665 983277879 /nfs/dbraw/zinc/27/78/79/983277879.db2.gz SQZPPSARPTYDDC-ZACQAIPSSA-N -1 0 331.456 3.966 20 0 EHADRM CCCc1c(C(=O)NCC[C@@H]2CCC(F)(F)C2)[nH]c(C)c1C(=O)[O-] ZINC001596038100 983326239 /nfs/dbraw/zinc/32/62/39/983326239.db2.gz YUJREGHUTFZKBO-NSHDSACASA-N -1 0 342.386 3.529 20 0 EHADRM CCCc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2OCC)cc1 ZINC001596063388 983374774 /nfs/dbraw/zinc/37/47/74/983374774.db2.gz UWOZSLPBFOJPRA-UHFFFAOYSA-N -1 0 327.380 3.988 20 0 EHADRM CCCc1nc(C)c(NC(=O)N[C@H](CC(=O)[O-])C2CCCC2)s1 ZINC001596083498 983405661 /nfs/dbraw/zinc/40/56/61/983405661.db2.gz PAQQPDSGUQNEJT-GFCCVEGCSA-N -1 0 339.461 3.559 20 0 EHADRM CCCc1occc1C(=O)N1c2ccccc2C[C@H](C)[C@@H]1C(=O)[O-] ZINC001596102638 983427872 /nfs/dbraw/zinc/42/78/72/983427872.db2.gz LBMLLQACORIRCW-YVEFUNNKSA-N -1 0 327.380 3.524 20 0 EHADRM CCN(C(=O)[C@@H](C)CC(=O)[O-])[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001596126665 983466060 /nfs/dbraw/zinc/46/60/60/983466060.db2.gz DUPZWZGFILFVOJ-NWDGAFQWSA-N -1 0 345.361 3.596 20 0 EHADRM CCN(C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)[C@@H]1CCCOC1 ZINC001596158111 983519998 /nfs/dbraw/zinc/51/99/98/983519998.db2.gz LOQORPSCRGWWDR-CYBMUJFWSA-N -1 0 348.424 3.632 20 0 EHADRM CCN(C(=O)Nc1cnc(C)c(C(=O)[O-])c1)[C@@H](C)Cc1ccsc1 ZINC001596158261 983520403 /nfs/dbraw/zinc/52/04/03/983520403.db2.gz MSLVLLROHSCHCL-NSHDSACASA-N -1 0 347.440 3.635 20 0 EHADRM CCN(C(=O)c1cccc(CC(=O)[O-])c1)c1ccc(Cl)cc1F ZINC001596169701 983533963 /nfs/dbraw/zinc/53/39/63/983533963.db2.gz NPVZAQGMXSKFHZ-UHFFFAOYSA-N -1 0 335.762 3.773 20 0 EHADRM CCN(C(=O)c1coc2ccc(OC)cc12)c1ccccc1C(=O)[O-] ZINC001596173160 983539172 /nfs/dbraw/zinc/53/91/72/983539172.db2.gz QEBRQCIHXOUDMA-UHFFFAOYSA-N -1 0 339.347 3.806 20 0 EHADRM CCN(CC(=O)Nc1cc(C(=O)[O-])ccc1C)c1cc(C)ccc1C ZINC001596208182 983596403 /nfs/dbraw/zinc/59/64/03/983596403.db2.gz HFKMRDAHCRMMKC-UHFFFAOYSA-N -1 0 340.423 3.775 20 0 EHADRM CCN(C[C@@H]1CCCO1)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001596295039 983716681 /nfs/dbraw/zinc/71/66/81/983716681.db2.gz DIQXSVILZHMPBV-HNNXBMFYSA-N -1 0 342.395 3.571 20 0 EHADRM CCN(CCC(F)(F)F)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001596321310 983754545 /nfs/dbraw/zinc/75/45/45/983754545.db2.gz MHEUQKBCHOAIOM-UHFFFAOYSA-N -1 0 332.322 3.510 20 0 EHADRM CCN(CCc1ccccc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001596347021 983796820 /nfs/dbraw/zinc/79/68/20/983796820.db2.gz AJYATUNIFHSRRV-UHFFFAOYSA-N -1 0 348.349 3.760 20 0 EHADRM CCN(Cc1ccccc1C)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001596371454 983870503 /nfs/dbraw/zinc/87/05/03/983870503.db2.gz FVWFIDCBHWUXMT-UHFFFAOYSA-N -1 0 342.395 3.756 20 0 EHADRM CCN(C(=O)[C@H]1CC[C@H](C2CCC2)CC1)c1ncc(C(=O)[O-])s1 ZINC001596388484 983918311 /nfs/dbraw/zinc/91/83/11/983918311.db2.gz UZOGXAODGULGSS-JOCQHMNTSA-N -1 0 336.457 3.801 20 0 EHADRM CCNc1ccc(C)cc1C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC001596501130 984253132 /nfs/dbraw/zinc/25/31/32/984253132.db2.gz DHVQIGDETAUSTO-UHFFFAOYSA-N -1 0 326.396 3.994 20 0 EHADRM CCOC(=O)[C@]12CCC[C@@H]1C[C@@H](Nc1cccc([C@@H](C)C(=O)[O-])c1)C2 ZINC001596563549 984444356 /nfs/dbraw/zinc/44/43/56/984444356.db2.gz USRYIDQFSQCGLO-PCFVDWANSA-N -1 0 345.439 3.799 20 0 EHADRM CCOC(=O)C[C@@H](C)SCc1ccc(C(=O)[O-])c2cccnc12 ZINC001596592321 984528593 /nfs/dbraw/zinc/52/85/93/984528593.db2.gz FULMNVNSSQCGJP-LLVKDONJSA-N -1 0 333.409 3.508 20 0 EHADRM C/C(=C\C(=O)N(CC(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC001588932913 984610608 /nfs/dbraw/zinc/61/06/08/984610608.db2.gz MUVYHBNYLYYMML-JLHYYAGUSA-N -1 0 329.783 3.861 20 0 EHADRM C/C(=C(\F)C(=O)N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)C1CC1 ZINC001588933490 984612640 /nfs/dbraw/zinc/61/26/40/984612640.db2.gz UJZXKHXFECQFBZ-YQCJOKCJSA-N -1 0 345.292 3.601 20 0 EHADRM C/C(=C/C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1)c1cccs1 ZINC001588939249 984628164 /nfs/dbraw/zinc/62/81/64/984628164.db2.gz MEIJENPYCGUGAH-RBJHHQRMSA-N -1 0 333.384 3.623 20 0 EHADRM C/C(=C/C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)c1ccc(F)cc1 ZINC001588947511 984660161 /nfs/dbraw/zinc/66/01/61/984660161.db2.gz YMRQWFOFVWCEKO-HJWRWDBZSA-N -1 0 346.383 3.900 20 0 EHADRM C/C(=C/C(=O)[O-])CSCCCCCCNC(=O)OC(C)(C)C ZINC001588951940 984683411 /nfs/dbraw/zinc/68/34/11/984683411.db2.gz IFTAIMPPNNXAGS-QBFSEMIESA-N -1 0 331.478 3.836 20 0 EHADRM C/C(=C/C(=O)Oc1cc(C(=O)[O-])cc(F)c1C)c1ccc(F)cc1 ZINC001588953721 984698446 /nfs/dbraw/zinc/69/84/46/984698446.db2.gz ZRASFTRWWBJWJR-YFHOEESVSA-N -1 0 332.302 3.980 20 0 EHADRM C/C(=C/C1CCC(C)CC1)C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC001588956744 984708432 /nfs/dbraw/zinc/70/84/32/984708432.db2.gz ZRQYUNGQULIJJF-GYRIUYRLSA-N -1 0 329.440 3.744 20 0 EHADRM C/C(=C/CN1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1)C(=O)[O-] ZINC001588959973 984729319 /nfs/dbraw/zinc/72/93/19/984729319.db2.gz VZDKUSCGPQHYOV-OOXMNIKJSA-N -1 0 325.412 3.635 20 0 EHADRM CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC001596667283 984734307 /nfs/dbraw/zinc/73/43/07/984734307.db2.gz WGEJSIYOEMNXJJ-UHFFFAOYSA-N -1 0 349.368 3.659 20 0 EHADRM C[C@H](NC(=O)Nc1cccc2cc(C(=O)[O-])sc21)c1cccnc1 ZINC001599895243 984744406 /nfs/dbraw/zinc/74/44/06/984744406.db2.gz XFYHLIBWDWBPDC-JTQLQIEISA-N -1 0 341.392 3.877 20 0 EHADRM C[C@H](NC(=O)c1ccccc1-c1ccccc1C(=O)[O-])C(F)(F)F ZINC001599900787 984819510 /nfs/dbraw/zinc/81/95/10/984819510.db2.gz AVLIMCRTIOYANA-JTQLQIEISA-N -1 0 337.297 3.732 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)N(C)c1ccc(OCC(=O)[O-])cc1 ZINC001588995344 984922924 /nfs/dbraw/zinc/92/29/24/984922924.db2.gz HKGJFJNMUZJYGZ-QINSGFPZSA-N -1 0 339.391 3.525 20 0 EHADRM C[C@H](OC(=O)c1csc([C@@H]2CCCO2)n1)c1ccc(C(=O)[O-])cc1 ZINC001599906413 984928799 /nfs/dbraw/zinc/92/87/99/984928799.db2.gz AFSJONMZSSZWHD-HZMBPMFUSA-N -1 0 347.392 3.611 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)OCc1nc(C)c(C(=O)[O-])s1 ZINC001588998529 984935846 /nfs/dbraw/zinc/93/58/46/984935846.db2.gz MCCMHINBCIOUPA-DHZHZOJOSA-N -1 0 331.393 3.605 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001588999453 984937534 /nfs/dbraw/zinc/93/75/34/984937534.db2.gz VJIYTLDPHVOLSX-QSOAKEGCSA-N -1 0 333.403 3.626 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)C[C@H]2CCC[C@H](C(F)(F)F)C2)(C(=O)[O-])CC1 ZINC001599908235 984950233 /nfs/dbraw/zinc/95/02/33/984950233.db2.gz PVGAXWZAFUXGOO-QCQGSNGOSA-N -1 0 349.393 3.895 20 0 EHADRM CCOC(=O)c1ccc(CNc2cccc3cc(C(=O)[O-])sc32)[nH]1 ZINC001596719931 984959911 /nfs/dbraw/zinc/95/99/11/984959911.db2.gz WZUQQJPJKXEDTB-UHFFFAOYSA-N -1 0 344.392 3.716 20 0 EHADRM C/C(=C\c1ccccc1Cl)C(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC001589004115 984961278 /nfs/dbraw/zinc/96/12/78/984961278.db2.gz XXQFFUOFCKFRTQ-OUKQBFOZSA-N -1 0 335.831 3.989 20 0 EHADRM C[C@H]1CN(C(=O)/C=C\c2cc(Cl)cc(Cl)c2)C[C@]1(C)C(=O)[O-] ZINC001599915868 985055135 /nfs/dbraw/zinc/05/51/35/985055135.db2.gz WSODMTXBYQGLQS-UOZYUSOWSA-N -1 0 342.222 3.576 20 0 EHADRM CC(=O)CC(C)(C)CC(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001589030049 985057225 /nfs/dbraw/zinc/05/72/25/985057225.db2.gz NZRVIVAMEVSARF-MRXNPFEDSA-N -1 0 332.396 3.701 20 0 EHADRM CCOC(=O)c1oc2ccccc2c1COc1cccc(C(=O)[O-])c1 ZINC001596755559 985128556 /nfs/dbraw/zinc/12/85/56/985128556.db2.gz AFXLXYKTLGFRFT-UHFFFAOYSA-N -1 0 340.331 3.887 20 0 EHADRM CCO[C@H](C)c1ncc(C(=O)Nc2sc(C)cc2C(=O)[O-])s1 ZINC001596776744 985216156 /nfs/dbraw/zinc/21/61/56/985216156.db2.gz OIUYDVZDMQSHNY-MRVPVSSYSA-N -1 0 340.426 3.561 20 0 EHADRM CC(=O)NCC1CCC(Nc2cc3ccccc3c(C(=O)[O-])c2)CC1 ZINC001589130668 985422108 /nfs/dbraw/zinc/42/21/08/985422108.db2.gz UGNDIKZFGAKQCY-UHFFFAOYSA-N -1 0 340.423 3.645 20 0 EHADRM C[C@]1(c2ccccc2)C[C@H]1C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001599938273 985423435 /nfs/dbraw/zinc/42/34/35/985423435.db2.gz FRGUHDYTGUSYMC-KPZWWZAWSA-N -1 0 331.318 3.579 20 0 EHADRM CCO[C@@H]1C[C@@H](NC(=O)Nc2cc(C(=O)[O-])ccc2C)C1(CC)CC ZINC001596823121 985423598 /nfs/dbraw/zinc/42/35/98/985423598.db2.gz OMKUEVYYEZYRKR-HZPDHXFCSA-N -1 0 348.443 3.799 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)[C@@H]1c1ccccc1 ZINC001594478426 985504475 /nfs/dbraw/zinc/50/44/75/985504475.db2.gz BJFUHVWKXAGHBX-BZNIZROVSA-N -1 0 328.343 3.749 20 0 EHADRM Cc1[nH]c(C(=O)[C@@H](C)N2CCc3c2cccc3Cl)c(C)c1C(=O)[O-] ZINC001599946837 985540510 /nfs/dbraw/zinc/54/05/10/985540510.db2.gz XFQQWONSJAOWKR-LLVKDONJSA-N -1 0 346.814 3.617 20 0 EHADRM Cc1[nH]c(C(=O)[C@@H](C)SCC[C@@H]2CCCCO2)c(C)c1C(=O)[O-] ZINC001599947499 985554078 /nfs/dbraw/zinc/55/40/78/985554078.db2.gz FTVLUGLYVDBUJN-OLZOCXBDSA-N -1 0 339.457 3.593 20 0 EHADRM Cc1[nH]c(C(=O)Nc2csc(-c3ccccc3)n2)c(C)c1C(=O)[O-] ZINC001599954576 985666038 /nfs/dbraw/zinc/66/60/38/985666038.db2.gz ISVARUFPPKWOKU-UHFFFAOYSA-N -1 0 341.392 3.706 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@H]1C[C@@H](C(C)C)c2ccccc21 ZINC001599956507 985696899 /nfs/dbraw/zinc/69/68/99/985696899.db2.gz FJOCLBPHNWKNMM-HOTGVXAUSA-N -1 0 340.423 3.944 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC001599956714 985700203 /nfs/dbraw/zinc/70/02/03/985700203.db2.gz MCEBTVRNOUORSE-UHFFFAOYSA-N -1 0 342.395 3.903 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC001599956695 985700311 /nfs/dbraw/zinc/70/03/11/985700311.db2.gz LETMPKHYFWUFLK-MQMHXKEQSA-N -1 0 346.814 3.659 20 0 EHADRM C[C@@H]1CN(CC(=O)c2c[nH]c3ccc(C(=O)[O-])cc23)[C@H]1c1ccccc1 ZINC001594507173 985724137 /nfs/dbraw/zinc/72/41/37/985724137.db2.gz LMTRANZDWXNDET-ZUOKHONESA-N -1 0 348.402 3.742 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCSc1ccc(Cl)cc1 ZINC000263479786 1125494089 /nfs/dbraw/zinc/49/40/89/1125494089.db2.gz GBDJXNRZLHNLQV-NWDGAFQWSA-N -1 0 341.860 3.534 20 0 EHADRM Cc1[nH]c2ccccc2c1Cc1noc(-c2cccc(C(=O)[O-])c2)n1 ZINC001599966800 985921923 /nfs/dbraw/zinc/92/19/23/985921923.db2.gz HUFRLDRIQZPPOT-UHFFFAOYSA-N -1 0 333.347 3.815 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)c1cc(F)ccc1Cl ZINC001589267157 985943414 /nfs/dbraw/zinc/94/34/14/985943414.db2.gz WEFHQKURPCETJJ-UHFFFAOYSA-N -1 0 336.702 3.599 20 0 EHADRM Cc1cc2c(cc1NC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1)OCO2 ZINC000510112715 1015178153 /nfs/dbraw/zinc/17/81/53/1015178153.db2.gz ADUNJPIHOWSFBW-IBGZPJMESA-N -1 0 347.411 3.724 20 0 EHADRM Cc1c(Br)cccc1-c1nc(-c2cc(C(=O)[O-])co2)no1 ZINC001599972446 986030401 /nfs/dbraw/zinc/03/04/01/986030401.db2.gz NQKLUDXRLHFUKB-UHFFFAOYSA-N -1 0 349.140 3.766 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N1[C@H](C)CC(C(=O)[O-])C[C@H]1C ZINC001599974967 986074366 /nfs/dbraw/zinc/07/43/66/986074366.db2.gz DFPMAXNVYBOPIZ-NXEZZACHSA-N -1 0 333.359 3.594 20 0 EHADRM CC(=O)c1csc(C(=O)N2CCCCc3cc(C(=O)[O-])ccc32)c1 ZINC001589322551 986132914 /nfs/dbraw/zinc/13/29/14/986132914.db2.gz HIGRBXVPGDCXNZ-UHFFFAOYSA-N -1 0 343.404 3.632 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)Nc1cc(C(=O)[O-])no1 ZINC001599983021 986190127 /nfs/dbraw/zinc/19/01/27/986190127.db2.gz SDVUSFHIYLAPIS-UHFFFAOYSA-N -1 0 336.303 3.833 20 0 EHADRM CCO[C@@H]1C[C@H](Nc2cc3ccccc3c(C(=O)[O-])c2)[C@]12CCCO2 ZINC001596974962 986210931 /nfs/dbraw/zinc/21/09/31/986210931.db2.gz XJDZFDIBKVVSAD-NLWGTHIKSA-N -1 0 341.407 3.677 20 0 EHADRM C[C@@H](C(=O)N(CC(=O)[O-])c1cccc(F)c1)c1ccc(Cl)cc1 ZINC001589341839 986258257 /nfs/dbraw/zinc/25/82/57/986258257.db2.gz NIQDLQJQKHARCQ-LLVKDONJSA-N -1 0 335.762 3.700 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N(CCC1CC1)CC1CC1 ZINC001597014338 986360827 /nfs/dbraw/zinc/36/08/27/986360827.db2.gz FBTSTYKKCYKUHT-UHFFFAOYSA-N -1 0 346.427 3.828 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H](CC)C1CCCC1 ZINC001597016526 986382452 /nfs/dbraw/zinc/38/24/52/986382452.db2.gz DOKCYHPYBFSRMC-AWEZNQCLSA-N -1 0 334.416 3.874 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CCc2c1cccc2C ZINC001597017229 986392346 /nfs/dbraw/zinc/39/23/46/986392346.db2.gz WAUDCTVLOFDFMN-UHFFFAOYSA-N -1 0 340.379 3.687 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(Cl)c(F)c1 ZINC001597025326 986431310 /nfs/dbraw/zinc/43/13/10/986431310.db2.gz JHICKGUBLYYPCJ-UHFFFAOYSA-N -1 0 337.734 3.828 20 0 EHADRM C[C@H](C(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F)[C@H](C)C(C)(C)C ZINC001589376423 986437267 /nfs/dbraw/zinc/43/72/67/986437267.db2.gz ZHBMSBGHTOXLDR-BHDSKKPTSA-N -1 0 327.371 3.525 20 0 EHADRM CCOc1ccc(-c2noc([C@@H]3CCC[C@H](C(=O)[O-])C3)n2)cc1F ZINC001597049856 986525858 /nfs/dbraw/zinc/52/58/58/986525858.db2.gz JYGKTNDBXGXDPU-NEPJUHHUSA-N -1 0 334.347 3.633 20 0 EHADRM C[C@@H](C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-])c1cc2ccccc2o1 ZINC001589403133 986576057 /nfs/dbraw/zinc/57/60/57/986576057.db2.gz ANJNJLKKPLDTBR-CZUORRHYSA-N -1 0 343.423 3.934 20 0 EHADRM CCOc1ccc([C@@H](Nc2cnc(C(=O)[O-])cn2)c2ccccc2)cc1 ZINC001597074988 986604064 /nfs/dbraw/zinc/60/40/64/986604064.db2.gz XPAVXUBRCSBGOC-IBGZPJMESA-N -1 0 349.390 3.775 20 0 EHADRM C[C@H](C(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001589409942 986608053 /nfs/dbraw/zinc/60/80/53/986608053.db2.gz NZKIGQPLLNZAOH-LBPRGKRZSA-N -1 0 331.799 3.501 20 0 EHADRM C[C@@H]1CSCC[N@@H+]([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC001594613582 986620901 /nfs/dbraw/zinc/62/09/01/986620901.db2.gz OSHRSYLXGHTYLW-ZANVPECISA-N -1 0 334.268 3.804 20 0 EHADRM C[C@@H]1Cc2cccc(F)c2N(C(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC001594619250 986648501 /nfs/dbraw/zinc/64/85/01/986648501.db2.gz COOIFUPDIWCWKF-SNVBAGLBSA-N -1 0 331.318 3.502 20 0 EHADRM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1)c1ccccn1 ZINC001589423546 986680502 /nfs/dbraw/zinc/68/05/02/986680502.db2.gz KEISZGJPDHXGIC-KUHUBIRLSA-N -1 0 348.402 3.671 20 0 EHADRM CCOc1ccc(Cl)cc1CNCc1ccc(C(=O)[O-])cc1F ZINC001597105574 986738190 /nfs/dbraw/zinc/73/81/90/986738190.db2.gz FVGWYFBPUYEDBP-UHFFFAOYSA-N -1 0 337.778 3.866 20 0 EHADRM CCOc1ccc(Cl)c(NCc2ccccc2OCC(=O)[O-])c1 ZINC001597106829 986750885 /nfs/dbraw/zinc/75/08/85/986750885.db2.gz URWWJFGQGOIGLC-UHFFFAOYSA-N -1 0 335.787 3.814 20 0 EHADRM C[C@@H](C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)C(=O)OC(C)(C)C ZINC001589440589 986787953 /nfs/dbraw/zinc/78/79/53/986787953.db2.gz ZLSADGSTRIEOKY-VIFPVBQESA-N -1 0 349.408 3.516 20 0 EHADRM CCOc1ccc(NC(=O)N[C@H](CC(=O)[O-])C2CCCC2)c(C)c1 ZINC001597119329 986805311 /nfs/dbraw/zinc/80/53/11/986805311.db2.gz RJFYGOSCNFWUBV-MRXNPFEDSA-N -1 0 334.416 3.549 20 0 EHADRM CCOc1ccc(NC(=O)c2csc(Cl)c2)c(C(=O)[O-])c1F ZINC001597123389 986824092 /nfs/dbraw/zinc/82/40/92/986824092.db2.gz NFBSKSGNSKUZMY-UHFFFAOYSA-N -1 0 343.763 3.890 20 0 EHADRM CCOc1cccc(C(=O)O[C@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC001597146327 986911464 /nfs/dbraw/zinc/91/14/64/986911464.db2.gz YXWRJTQWLUQMRS-HNNXBMFYSA-N -1 0 334.755 3.721 20 0 EHADRM CCOc1cccc(CCC(=O)N(CC)c2ccccc2C(=O)[O-])c1 ZINC001597150547 986927369 /nfs/dbraw/zinc/92/73/69/986927369.db2.gz UYAUWEGBJRFQHZ-UHFFFAOYSA-N -1 0 341.407 3.769 20 0 EHADRM C[C@H]1SCCN(Cc2ncc(C(=O)[O-])s2)[C@@H]1c1ccccc1 ZINC001594664322 986948883 /nfs/dbraw/zinc/94/88/83/986948883.db2.gz LNQVPKXPLJLHJA-ABAIWWIYSA-N -1 0 334.466 3.520 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)C[C@H](c1ccccc1)C(F)(F)F)C1CCC1 ZINC001589470997 986958505 /nfs/dbraw/zinc/95/85/05/986958505.db2.gz FMBGVWBYLSCXSE-BXUZGUMPSA-N -1 0 343.345 3.577 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)CCn1ccc2cc(Cl)ccc21)C1CCC1 ZINC001589472581 986968665 /nfs/dbraw/zinc/96/86/65/986968665.db2.gz RPHUMYOGSPPKGD-LBPRGKRZSA-N -1 0 348.830 3.539 20 0 EHADRM CCOc1cccc2cc([C@@H](C)NCc3nc(C(=O)[O-])cs3)oc21 ZINC001597164824 986982261 /nfs/dbraw/zinc/98/22/61/986982261.db2.gz JBKSFPSYHAUXHL-SNVBAGLBSA-N -1 0 346.408 3.837 20 0 EHADRM CCOc1ccccc1[C@H](CC)NC(=O)c1cccc(C(=O)[O-])c1 ZINC001597173255 987015494 /nfs/dbraw/zinc/01/54/94/987015494.db2.gz RUXPLMXTFHYMOA-INIZCTEOSA-N -1 0 327.380 3.665 20 0 EHADRM C/C=C(/CC)C(=O)N(C)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001594677537 987015638 /nfs/dbraw/zinc/01/56/38/987015638.db2.gz NWVANXASJLXGEO-PRUHKGEBSA-N -1 0 330.211 3.934 20 0 EHADRM C/C=C(/C=C/C(=O)N[C@H](C[C@H]1CCCc2ccccc21)C(=O)[O-])CC ZINC001594677627 987016193 /nfs/dbraw/zinc/01/61/93/987016193.db2.gz PVTVLBDFMXBYQD-IRXDSPCCSA-N -1 0 341.451 3.979 20 0 EHADRM CCOc1ccccc1COc1ccc(/C=C/C(=O)[O-])cc1OC ZINC001597178173 987024666 /nfs/dbraw/zinc/02/46/66/987024666.db2.gz BZBARBACEONNJL-PKNBQFBNSA-N -1 0 328.364 3.771 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)Cc2coc3cc(F)ccc23)cc1 ZINC001589504074 987111522 /nfs/dbraw/zinc/11/15/22/987111522.db2.gz KKYYMGISADZEKX-LLVKDONJSA-N -1 0 341.338 3.941 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CC(Cc3ccccc3)C2)cc1 ZINC001589507761 987124971 /nfs/dbraw/zinc/12/49/71/987124971.db2.gz CEWBUZOTCIUTCU-CQSZACIVSA-N -1 0 338.407 3.581 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N[C@H](CF)c2ccc(F)cc2)cc1 ZINC001589508450 987128984 /nfs/dbraw/zinc/12/89/84/987128984.db2.gz KBVJGFAPDYBVMB-BDJLRTHQSA-N -1 0 348.349 3.846 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2ccc(-c3cc[nH]n3)s2)cc1 ZINC001589521048 987163676 /nfs/dbraw/zinc/16/36/76/987163676.db2.gz HTXCJVZPGHMPAV-SNVBAGLBSA-N -1 0 341.392 3.579 20 0 EHADRM CCC(=O)c1ccc(Cl)c(NC(=O)CC(C)(C)CC(=O)[O-])c1 ZINC001594717149 987192201 /nfs/dbraw/zinc/19/22/01/987192201.db2.gz PNFFSSBUDKBNBJ-UHFFFAOYSA-N -1 0 325.792 3.762 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2ncccc2-c2ccccn2)c1 ZINC001589531926 987208421 /nfs/dbraw/zinc/20/84/21/987208421.db2.gz LDZWEUWZNSERTO-ZDUSSCGKSA-N -1 0 347.374 3.584 20 0 EHADRM CC[C@@H](C(=O)N(C)C(C)(C)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001594724865 987223561 /nfs/dbraw/zinc/22/35/61/987223561.db2.gz DTCPXAPALZTGTG-CYBMUJFWSA-N -1 0 345.361 3.911 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)Cc2ccc(Cl)c(F)c2)c1 ZINC001589533272 987224386 /nfs/dbraw/zinc/22/43/86/987224386.db2.gz LMNCOABNQTVVJV-SNVBAGLBSA-N -1 0 335.762 3.848 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1 ZINC001594725106 987226004 /nfs/dbraw/zinc/22/60/04/987226004.db2.gz LGWDUQZFUKXLPK-FZMZJTMJSA-N -1 0 345.361 3.911 20 0 EHADRM CC[C@@H](C(=O)N(C)c1c(OC)cccc1C(=O)[O-])c1ccc(F)cc1 ZINC001594725368 987230098 /nfs/dbraw/zinc/23/00/98/987230098.db2.gz TZCXVUJDVPKSAM-CQSZACIVSA-N -1 0 345.370 3.689 20 0 EHADRM CC[C@@H](C(=O)N[C@@H](C(=O)[O-])c1cc(C)cc(C)c1)c1ccc(F)cc1 ZINC001594729089 987239281 /nfs/dbraw/zinc/23/92/81/987239281.db2.gz MQJACLDJMMTXGE-QZTJIDSGSA-N -1 0 343.398 3.878 20 0 EHADRM CC[C@@H](C(=O)N1CCCc2ccc(C(=O)[O-])cc21)c1ccc(F)cc1 ZINC001594729102 987239352 /nfs/dbraw/zinc/23/93/52/987239352.db2.gz DXDYNANUAKMIKC-QGZVFWFLSA-N -1 0 341.382 3.997 20 0 EHADRM C[C@@H](C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1Cl)C(C)(F)F ZINC001589540936 987249978 /nfs/dbraw/zinc/24/99/78/987249978.db2.gz UUJAFJMBVMKDLN-WKEGUHRASA-N -1 0 341.137 3.954 20 0 EHADRM CC[C@@H](C(=O)N(CCC(=O)[O-])c1cccc(F)c1)c1ccccc1 ZINC001594730442 987250299 /nfs/dbraw/zinc/25/02/99/987250299.db2.gz RZPXXTODTAREPY-QGZVFWFLSA-N -1 0 329.371 3.827 20 0 EHADRM CC[C@H](C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])c1ccc(OC)cc1 ZINC001594730854 987253644 /nfs/dbraw/zinc/25/36/44/987253644.db2.gz ZYCOUCGGAPZHSG-KRWDZBQOSA-N -1 0 349.471 3.784 20 0 EHADRM CCS[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001597258205 987266840 /nfs/dbraw/zinc/26/68/40/987266840.db2.gz HXNSIFFFHXOMIL-LSDHHAIUSA-N -1 0 336.457 3.879 20 0 EHADRM CCS[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001597258694 987272071 /nfs/dbraw/zinc/27/20/71/987272071.db2.gz RYTLFYXPRVDWBP-LSDHHAIUSA-N -1 0 336.457 3.879 20 0 EHADRM CCSCCCNC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001597261759 987286042 /nfs/dbraw/zinc/28/60/42/987286042.db2.gz XETXMJNTRSPBCY-UHFFFAOYSA-N -1 0 338.454 3.864 20 0 EHADRM CC(C)(C(=O)NC[C@H](CC1CC1)C(=O)[O-])c1ccc2ccccc2c1 ZINC001589566898 987331595 /nfs/dbraw/zinc/33/15/95/987331595.db2.gz JGUWDYGPHWGPNY-KRWDZBQOSA-N -1 0 339.435 3.735 20 0 EHADRM CCSc1cccc(F)c1NC(=O)NCC1(C(=O)[O-])CCCC1 ZINC001597277487 987335942 /nfs/dbraw/zinc/33/59/42/987335942.db2.gz RHPACZFWLBOYHA-UHFFFAOYSA-N -1 0 340.420 3.704 20 0 EHADRM CCSc1cccc(CNc2ccc3cnn(CC(=O)[O-])c3c2)c1 ZINC001597277579 987336827 /nfs/dbraw/zinc/33/68/27/987336827.db2.gz VVGDTWDHLWHTOI-UHFFFAOYSA-N -1 0 341.436 3.845 20 0 EHADRM O=S(=O)([N-]c1nc2ccsc2s1)c1cc2ccccc2o1 ZINC000753978954 1015299533 /nfs/dbraw/zinc/29/95/33/1015299533.db2.gz ZCTWKHYLPBVEFG-UHFFFAOYSA-N -1 0 336.419 3.905 20 0 EHADRM CC[C@@H](NC(=O)NCCCCCCC(=O)[O-])c1ccc(C)c(F)c1 ZINC001597285857 987363311 /nfs/dbraw/zinc/36/33/11/987363311.db2.gz DJGOZXGBCRAWOQ-MRXNPFEDSA-N -1 0 338.423 3.920 20 0 EHADRM CC[C@@H](NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-])c1ccccn1 ZINC001597291635 987380757 /nfs/dbraw/zinc/38/07/57/987380757.db2.gz PLPZYGHXXVMFAJ-GXTWGEPZSA-N -1 0 344.436 3.528 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C1 ZINC000237968953 1015302450 /nfs/dbraw/zinc/30/24/50/1015302450.db2.gz IVMXKCKNKNWLEW-NSHDSACASA-N -1 0 334.803 3.538 20 0 EHADRM CC[C@@H]1CC[C@H](C)N(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)C1 ZINC001597296439 987395792 /nfs/dbraw/zinc/39/57/92/987395792.db2.gz RSQPRWXNMRFYSM-SOUVJXGZSA-N -1 0 332.444 3.992 20 0 EHADRM CC[C@H](NC(=O)C1(Cc2cccc(Cl)c2)CCCCC1)C(=O)[O-] ZINC001597343348 987480903 /nfs/dbraw/zinc/48/09/03/987480903.db2.gz NGIMTBHXJNSGSA-HNNXBMFYSA-N -1 0 337.847 3.812 20 0 EHADRM CCc1[nH]c(C(=O)N(C)[C@H](C)Cc2ccccc2C)c(C)c1C(=O)[O-] ZINC001597354466 987495185 /nfs/dbraw/zinc/49/51/85/987495185.db2.gz CWENGCVTXYPFDD-CYBMUJFWSA-N -1 0 342.439 3.595 20 0 EHADRM CCc1[nH]c(C(=O)N(C)[C@@H](C)c2ccc(C)cc2)c(C)c1C(=O)[O-] ZINC001597354996 987499924 /nfs/dbraw/zinc/49/99/24/987499924.db2.gz WHGBQBSDJDXWNJ-ZDUSSCGKSA-N -1 0 328.412 3.725 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)/C=C/C=C(Cl)Cl)cc1 ZINC001589633889 987547514 /nfs/dbraw/zinc/54/75/14/987547514.db2.gz KTJXZPQDLLMKKZ-HWKANZROSA-N -1 0 328.195 3.863 20 0 EHADRM CCc1[nH]c(C(=O)N[C@@H](C)c2ccc(Cl)s2)c(C)c1C(=O)[O-] ZINC001597385816 987598142 /nfs/dbraw/zinc/59/81/42/987598142.db2.gz RHSOMTXOMAWBOH-QMMMGPOBSA-N -1 0 340.832 3.790 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)[C@@H]2Cc3ccc(Cl)cc32)c1 ZINC001589651328 987602367 /nfs/dbraw/zinc/60/23/67/987602367.db2.gz XUJGXFQFSWOVMZ-MRXNPFEDSA-N -1 0 344.794 3.948 20 0 EHADRM CCc1[nH]c(CN2CCCCc3ccc(OC)cc32)cc1C(=O)[O-] ZINC001597386774 987609287 /nfs/dbraw/zinc/60/92/87/987609287.db2.gz OZEQHFWOEVIUFV-UHFFFAOYSA-N -1 0 328.412 3.627 20 0 EHADRM CCc1c2ccccc2oc1C(=O)Nc1ccc(OC)cc1C(=O)[O-] ZINC001597411596 987700798 /nfs/dbraw/zinc/70/07/98/987700798.db2.gz GHJNGFATFXDUKN-UHFFFAOYSA-N -1 0 339.347 3.954 20 0 EHADRM CCc1cc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCCC3)no1 ZINC001597437273 987783145 /nfs/dbraw/zinc/78/31/45/987783145.db2.gz LIKDBJOTKVOWBZ-UHFFFAOYSA-N -1 0 334.397 3.518 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)CC1(CSc2ccccc2)CC1 ZINC001589701276 987796590 /nfs/dbraw/zinc/79/65/90/987796590.db2.gz WPYCCZBEDORIHF-HNNXBMFYSA-N -1 0 349.496 3.955 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)Oc1ccc(C)cc1 ZINC001597449494 987833473 /nfs/dbraw/zinc/83/34/73/987833473.db2.gz FGRITWBWEYEFSU-ZDUSSCGKSA-N -1 0 327.380 3.662 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@@H](OC2CCC2)C1 ZINC001597453115 987853526 /nfs/dbraw/zinc/85/35/26/987853526.db2.gz MBNXBOIRVGBVFS-MRXNPFEDSA-N -1 0 346.427 3.513 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1coc2c1cccc2OC ZINC001597466541 987913858 /nfs/dbraw/zinc/91/38/58/987913858.db2.gz YMABQIOSOMGPLQ-UHFFFAOYSA-N -1 0 339.347 3.954 20 0 EHADRM CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)Cc1ccccc1C(=O)[O-] ZINC001589729437 987945202 /nfs/dbraw/zinc/94/52/02/987945202.db2.gz YNLKDLQPXRHZSU-WBVHZDCISA-N -1 0 331.456 3.896 20 0 EHADRM CC(C)(C)[C@@H]1CCN1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001589732770 987967441 /nfs/dbraw/zinc/96/74/41/987967441.db2.gz WWDNSXWZVRYALX-LBPRGKRZSA-N -1 0 342.342 3.639 20 0 EHADRM CC(C)(C)[C@@H]1CCc2sc(C(=O)Nc3cc(C(=O)[O-])no3)cc2C1 ZINC001589735571 987986900 /nfs/dbraw/zinc/98/69/00/987986900.db2.gz VFKLGJCTYYMBFF-SNVBAGLBSA-N -1 0 348.424 3.838 20 0 EHADRM CSC1CCN(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)CC1 ZINC001599791041 988008729 /nfs/dbraw/zinc/00/87/29/988008729.db2.gz OBSOWCKWYPMGCL-UHFFFAOYSA-N -1 0 346.811 3.537 20 0 EHADRM CCc1cc2c(ncnc2NCc2ccc(Cl)c(C(=O)[O-])n2)s1 ZINC001597489786 988012661 /nfs/dbraw/zinc/01/26/61/988012661.db2.gz RYTDGPHDIHHOPY-UHFFFAOYSA-N -1 0 348.815 3.612 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)c1cc(C(=O)[O-])ccn1)c1ccc(F)cc1 ZINC001589751495 988053179 /nfs/dbraw/zinc/05/31/79/988053179.db2.gz OPKPYVXCCOUHMU-MRXNPFEDSA-N -1 0 344.386 3.826 20 0 EHADRM CCc1ccc([C@H](C)C(=O)Nc2cc(C(=O)[O-])cnc2Cl)cc1 ZINC001597511966 988093956 /nfs/dbraw/zinc/09/39/56/988093956.db2.gz MIOFLFSLXGOUCX-JTQLQIEISA-N -1 0 332.787 3.738 20 0 EHADRM CSCCCC(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001599797289 988118453 /nfs/dbraw/zinc/11/84/53/988118453.db2.gz DLQFIVXNPBXFFG-GFCCVEGCSA-N -1 0 336.331 3.675 20 0 EHADRM CC(C)(C)CCN(CCc1ccccc1)c1cncc(C(=O)[O-])n1 ZINC001589773940 988130359 /nfs/dbraw/zinc/13/03/59/988130359.db2.gz BDHHTXHKHDRJTN-UHFFFAOYSA-N -1 0 327.428 3.660 20 0 EHADRM CC(C)(C)CCNc1cc(I)cc(C(=O)[O-])c1 ZINC001589777028 988141976 /nfs/dbraw/zinc/14/19/76/988141976.db2.gz PNMNMAJCGGHFPQ-UHFFFAOYSA-N -1 0 347.196 3.838 20 0 EHADRM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001589784366 988164527 /nfs/dbraw/zinc/16/45/27/988164527.db2.gz RMXKDLXFKWQXPZ-WDMOLILDSA-N -1 0 341.810 3.793 20 0 EHADRM CCc1ccc(F)cc1C(=O)N1CCCc2c(C)ccc(C(=O)[O-])c21 ZINC001597530601 988186728 /nfs/dbraw/zinc/18/67/28/988186728.db2.gz HFXWQTVGLKZEEK-UHFFFAOYSA-N -1 0 341.382 3.988 20 0 EHADRM CSCc1cccc(NC(=O)N[C@@H](CC(=O)[O-])C2CCCC2)c1 ZINC001599803156 988210197 /nfs/dbraw/zinc/21/01/97/988210197.db2.gz NKDKFKQEKSKMSY-HNNXBMFYSA-N -1 0 336.457 3.705 20 0 EHADRM CCc1ccc(NC(=O)/C=C(/C)c2cccc(OC)c2)c(C(=O)[O-])c1 ZINC001597542680 988233198 /nfs/dbraw/zinc/23/31/98/988233198.db2.gz GUACNWVUFSCDEF-RAXLEYEMSA-N -1 0 339.391 3.998 20 0 EHADRM CSCc1cccnc1C(=O)O[C@@H](C)c1ccc(C(=O)[O-])cc1 ZINC001599805379 988246418 /nfs/dbraw/zinc/24/64/18/988246418.db2.gz XXVHAFYUTSSQGJ-NSHDSACASA-N -1 0 331.393 3.561 20 0 EHADRM CSc1c(F)cccc1NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC001599805991 988257255 /nfs/dbraw/zinc/25/72/55/988257255.db2.gz GRSFRUGNVSEINU-UHFFFAOYSA-N -1 0 346.383 3.794 20 0 EHADRM CSc1c(F)cc(NC(=O)/C=C\c2cc(C(=O)[O-])co2)cc1F ZINC001599806417 988263616 /nfs/dbraw/zinc/26/36/16/988263616.db2.gz VDOYOGOKWLPSGL-IHWYPQMZSA-N -1 0 339.319 3.630 20 0 EHADRM CCc1ccc(NC(=O)c2ccc(C)c(C(C)=O)c2)c(C(=O)[O-])c1 ZINC001597550665 988269156 /nfs/dbraw/zinc/26/91/56/988269156.db2.gz JNBCFUQHMNYUQS-UHFFFAOYSA-N -1 0 325.364 3.711 20 0 EHADRM CSc1cc(CNc2cc(C(F)(F)F)c(C(=O)[O-])cn2)ccn1 ZINC001599806898 988270717 /nfs/dbraw/zinc/27/07/17/988270717.db2.gz FIQMCQVOEWDNFO-UHFFFAOYSA-N -1 0 343.330 3.528 20 0 EHADRM CSc1cc(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)co1 ZINC001599807431 988278574 /nfs/dbraw/zinc/27/85/74/988278574.db2.gz MUNQRGMOPCDGII-UHFFFAOYSA-N -1 0 340.426 3.706 20 0 EHADRM CSc1cc(C)ccc1NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC001599808151 988289139 /nfs/dbraw/zinc/28/91/39/988289139.db2.gz ZJPDZSYDWBUYDA-UHFFFAOYSA-N -1 0 342.420 3.963 20 0 EHADRM CC(C)(C)NC(=O)c1ccccc1NCc1cccc(C(=O)[O-])c1 ZINC001589831779 988303729 /nfs/dbraw/zinc/30/37/29/988303729.db2.gz HWHYHWJUWHXXGS-UHFFFAOYSA-N -1 0 326.396 3.525 20 0 EHADRM CSc1cc(O)ccc1NC(=O)Nc1cccc(C(=O)[O-])c1C ZINC001599809551 988310916 /nfs/dbraw/zinc/31/09/16/988310916.db2.gz JYILXSIWTUWXNU-UHFFFAOYSA-N -1 0 332.381 3.765 20 0 EHADRM CSc1ccc(C(=O)N[C@H](C(=O)[O-])c2cccc3ccccc32)o1 ZINC001599809602 988311108 /nfs/dbraw/zinc/31/11/08/988311108.db2.gz KOEGPJHNRMQQNN-INIZCTEOSA-N -1 0 341.388 3.710 20 0 EHADRM CSc1ccc(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)o1 ZINC001599810104 988319109 /nfs/dbraw/zinc/31/91/09/988319109.db2.gz FZVKOZPVUZHHHW-UHFFFAOYSA-N -1 0 328.349 3.500 20 0 EHADRM CCc1ccc2c(c1)[C@H](NC(=O)Nc1cccc(C(=O)[O-])c1)CCO2 ZINC001597568750 988327233 /nfs/dbraw/zinc/32/72/33/988327233.db2.gz LZIMNYRNHWEXJQ-MRXNPFEDSA-N -1 0 340.379 3.593 20 0 EHADRM CCc1cccc(C)c1NC(=O)CNc1cc(C(=O)[O-])c(F)cc1F ZINC001597578400 988372136 /nfs/dbraw/zinc/37/21/36/988372136.db2.gz CIZWAGKWLXEUFL-UHFFFAOYSA-N -1 0 348.349 3.584 20 0 EHADRM CCc1cccc(C)c1NC(=O)N1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC001597579502 988380817 /nfs/dbraw/zinc/38/08/17/988380817.db2.gz ZXMRAVCGHWRRIK-KXBFYZLASA-N -1 0 330.428 3.666 20 0 EHADRM CCc1cccc(CC(=O)Nc2c(Cl)ccc(F)c2C(=O)[O-])c1 ZINC001597581182 988385652 /nfs/dbraw/zinc/38/56/52/988385652.db2.gz RRHKMCWZQBUTDO-UHFFFAOYSA-N -1 0 335.762 3.921 20 0 EHADRM CSc1ccc(NC(=O)Cc2cc(C)cc(C)c2)cc1C(=O)[O-] ZINC001599815580 988418073 /nfs/dbraw/zinc/41/80/73/988418073.db2.gz NYYBNAKAHVOAIU-UHFFFAOYSA-N -1 0 329.421 3.905 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1ccc(OC)cc1Cl ZINC001597593026 988424937 /nfs/dbraw/zinc/42/49/37/988424937.db2.gz LBOAWJWVVYXYLP-UHFFFAOYSA-N -1 0 333.771 3.862 20 0 EHADRM CCc1cccc(N(C)C(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)c1 ZINC001597593573 988428228 /nfs/dbraw/zinc/42/82/28/988428228.db2.gz UIZGNAMZCZEGLN-UHFFFAOYSA-N -1 0 341.407 3.606 20 0 EHADRM CSc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1C(=O)[O-] ZINC001599816241 988429566 /nfs/dbraw/zinc/42/95/66/988429566.db2.gz RQKIFAALFBJMOX-KGLIPLIRSA-N -1 0 345.395 3.988 20 0 EHADRM CCc1cccc(NC(=O)N[C@@H](C)c2ccc(OCC(=O)[O-])cc2)c1 ZINC001597595633 988443068 /nfs/dbraw/zinc/44/30/68/988443068.db2.gz VIKZTKIHKXZFLI-ZDUSSCGKSA-N -1 0 342.395 3.595 20 0 EHADRM CCc1cccc2c1OCC[C@H]2NC(=O)Nc1ccc(C(=O)[O-])s1 ZINC001597603871 988475401 /nfs/dbraw/zinc/47/54/01/988475401.db2.gz XNNUFZSVKOGNFE-GFCCVEGCSA-N -1 0 346.408 3.654 20 0 EHADRM CCc1ccccc1CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001597609261 988492513 /nfs/dbraw/zinc/49/25/13/988492513.db2.gz MWPJSOCAULBNHQ-UHFFFAOYSA-N -1 0 330.359 3.716 20 0 EHADRM CSc1ccc(NCc2c(Cl)n[nH]c2C2CC2)cc1C(=O)[O-] ZINC001599820760 988509714 /nfs/dbraw/zinc/50/97/14/988509714.db2.gz LUFAGGDJHYIXIX-UHFFFAOYSA-N -1 0 337.832 3.973 20 0 EHADRM CSc1ccc([C@H](C)NC(=O)Nc2cnc(C)c(C(=O)[O-])c2)cc1 ZINC001599821290 988518407 /nfs/dbraw/zinc/51/84/07/988518407.db2.gz TYNJKLQNDMNNBU-JTQLQIEISA-N -1 0 345.424 3.693 20 0 EHADRM CCc1ccccc1NC(=O)CSCc1ccccc1C(=O)[O-] ZINC001597614682 988521725 /nfs/dbraw/zinc/52/17/25/988521725.db2.gz JOWZOPWOXTXCID-UHFFFAOYSA-N -1 0 329.421 3.819 20 0 EHADRM CCc1ccccc1OCCC(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC001597616155 988536556 /nfs/dbraw/zinc/53/65/56/988536556.db2.gz HEWXKJSNIWQMRU-CQSZACIVSA-N -1 0 341.407 3.845 20 0 EHADRM CSc1cccc(NC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)c1 ZINC001599824817 988579880 /nfs/dbraw/zinc/57/98/80/988579880.db2.gz REPFIWTWRSIMGZ-UHFFFAOYSA-N -1 0 342.420 3.697 20 0 EHADRM CSc1ccsc1C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001599826721 988609549 /nfs/dbraw/zinc/60/95/49/988609549.db2.gz VIMXHZSMSAGJQP-UHFFFAOYSA-N -1 0 342.467 3.541 20 0 EHADRM CSc1nc(NCC2(C(=O)[O-])CCCCC2)cc(C(F)F)n1 ZINC001599827256 988615872 /nfs/dbraw/zinc/61/58/72/988615872.db2.gz CLMQRAVNJFACBD-UHFFFAOYSA-N -1 0 331.388 3.583 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)C/C=C\c1cccc(F)c1 ZINC001599831482 988682383 /nfs/dbraw/zinc/68/23/83/988682383.db2.gz AHOHHWQAXBCRDK-MLBQELRYSA-N -1 0 341.382 3.731 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)C[C@H]1CCc2ccccc21 ZINC001599831641 988684626 /nfs/dbraw/zinc/68/46/26/988684626.db2.gz LDMNVZADAGAGQV-MAUKXSAKSA-N -1 0 337.419 3.608 20 0 EHADRM C[C@@H](C(=O)O[C@@H](C(=O)[O-])c1c(F)cccc1Cl)c1ccccc1 ZINC001599833472 988708453 /nfs/dbraw/zinc/70/84/53/988708453.db2.gz MARBUHBUMWVGIX-MEBBXXQBSA-N -1 0 336.746 3.952 20 0 EHADRM CCc1nc([C@@H]2CCCCN2Cc2ccc(C(=O)[O-])c(Cl)c2)no1 ZINC001597663780 988744228 /nfs/dbraw/zinc/74/42/28/988744228.db2.gz TXSRZEHMTYKRIW-AWEZNQCLSA-N -1 0 349.818 3.711 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc(CC(=O)[O-])n1)c1cccc2ccccc21 ZINC001599839536 988801743 /nfs/dbraw/zinc/80/17/43/988801743.db2.gz QMBMZQHMFZIIQL-CYBMUJFWSA-N -1 0 349.390 3.745 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])nc1)c1cccc2ccccc21 ZINC001599840393 988817153 /nfs/dbraw/zinc/81/71/53/988817153.db2.gz RWCRLDQEMPLZND-GFCCVEGCSA-N -1 0 335.363 3.816 20 0 EHADRM CCc1nc(NC(=O)c2c[nH]cc2-c2ccccc2)sc1C(=O)[O-] ZINC001597682077 988818419 /nfs/dbraw/zinc/81/84/19/988818419.db2.gz PHNZPOHMKNJSIE-UHFFFAOYSA-N -1 0 341.392 3.651 20 0 EHADRM CCc1nc2c(s1)[C@H](N[C@@H](C)c1ncc(C(=O)[O-])s1)CCC2 ZINC001597690605 988871529 /nfs/dbraw/zinc/87/15/29/988871529.db2.gz JAUMZMPCYUZMOD-DTWKUNHWSA-N -1 0 337.470 3.588 20 0 EHADRM CCc1nc2ccccc2c(C(=O)OCc2ccc(C(=O)[O-])o2)c1C ZINC001597695987 988899016 /nfs/dbraw/zinc/89/90/16/988899016.db2.gz QBFBUFSPKYFZOE-UHFFFAOYSA-N -1 0 339.347 3.754 20 0 EHADRM CC(C)(C)OC(=O)N1CCCN(CCCC(=O)[O-])c2ccccc21 ZINC001590035791 989061987 /nfs/dbraw/zinc/06/19/87/989061987.db2.gz VHQLZDGVKLBRBA-UHFFFAOYSA-N -1 0 334.416 3.503 20 0 EHADRM CCc1nnc(S[C@H](C(=O)[O-])c2cccc(Cl)c2Cl)[nH]1 ZINC001597736339 989085628 /nfs/dbraw/zinc/08/56/28/989085628.db2.gz SOLLBUNFYAACKX-JTQLQIEISA-N -1 0 332.212 3.592 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H]1CC(=O)[O-] ZINC001599860725 989163630 /nfs/dbraw/zinc/16/36/30/989163630.db2.gz JBVIALTULMPNQE-RKDXNWHRSA-N -1 0 331.199 3.568 20 0 EHADRM CCc1oc(CN(C)Cc2cc(-c3ccccc3)n[nH]2)cc1C(=O)[O-] ZINC001597792589 989330929 /nfs/dbraw/zinc/33/09/29/989330929.db2.gz AGUHSMXWCHEVGP-UHFFFAOYSA-N -1 0 339.395 3.562 20 0 EHADRM CCc1oc(CN2CCN(C3CC3)c3ccc(F)cc32)cc1C(=O)[O-] ZINC001597798652 989370196 /nfs/dbraw/zinc/37/01/96/989370196.db2.gz GTKLSVIPEDKXBA-UHFFFAOYSA-N -1 0 344.386 3.668 20 0 EHADRM CCc1oc(CNc2cn(C)nc2-c2ccccc2)cc1C(=O)[O-] ZINC001597805128 989410839 /nfs/dbraw/zinc/41/08/39/989410839.db2.gz SBDQHLKZOQVXMH-UHFFFAOYSA-N -1 0 325.368 3.553 20 0 EHADRM CCc1oc(CNCc2ccc(OC3CCCC3)nc2)cc1C(=O)[O-] ZINC001597805612 989415502 /nfs/dbraw/zinc/41/55/02/989415502.db2.gz KPPJWCPBZXVXCQ-UHFFFAOYSA-N -1 0 344.411 3.546 20 0 EHADRM CCc1sc(=O)n(Cc2cc(C(=O)[O-])c(C)o2)c1-c1ccccc1 ZINC001597817906 989449818 /nfs/dbraw/zinc/44/98/18/989449818.db2.gz DRDDBCVTGCRYKQ-UHFFFAOYSA-N -1 0 343.404 3.787 20 0 EHADRM CCn1c(C(=O)O[C@H](C)c2cc(C(=O)[O-])co2)cc2ccccc21 ZINC001597841348 989541186 /nfs/dbraw/zinc/54/11/86/989541186.db2.gz ZHJPLRYJIMZBHG-LLVKDONJSA-N -1 0 327.336 3.870 20 0 EHADRM CC(C)(C)OC(=O)NCCCSCc1ccccc1C(=O)[O-] ZINC001590194860 989553568 /nfs/dbraw/zinc/55/35/68/989553568.db2.gz PMKQOLFJLHVLPG-UHFFFAOYSA-N -1 0 325.430 3.533 20 0 EHADRM CCn1cc(Cl)cc1C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001597895150 989753916 /nfs/dbraw/zinc/75/39/16/989753916.db2.gz ALAGXZGFRIRQAV-UHFFFAOYSA-N -1 0 345.157 3.904 20 0 EHADRM CCn1cc(Cl)cc1C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001597895183 989755006 /nfs/dbraw/zinc/75/50/06/989755006.db2.gz CDZSGWZUOBRQMY-UHFFFAOYSA-N -1 0 345.157 3.904 20 0 EHADRM CCn1ccc(CN(C)C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)c1 ZINC001597904751 989789658 /nfs/dbraw/zinc/78/96/58/989789658.db2.gz PJQKPEFDMBBWND-UHFFFAOYSA-N -1 0 347.440 3.592 20 0 EHADRM CC(C)(C)OCc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC001590395708 989918877 /nfs/dbraw/zinc/91/88/77/989918877.db2.gz HNDKZPWIRGFKMA-JKSUJKDBSA-N -1 0 333.428 3.831 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)nc1 ZINC001590410513 989953144 /nfs/dbraw/zinc/95/31/44/989953144.db2.gz YCDBWHMFSYBSJK-UHFFFAOYSA-N -1 0 342.395 3.528 20 0 EHADRM CC(C)(C)Oc1ccccc1CNC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001590419834 989961996 /nfs/dbraw/zinc/96/19/96/989961996.db2.gz IUKKSLVPEYKEQK-UHFFFAOYSA-N -1 0 342.395 3.884 20 0 EHADRM CC(C)(C)Oc1cccc(NC(=O)Cc2cccc(C(=O)[O-])c2)c1 ZINC001590419850 989962030 /nfs/dbraw/zinc/96/20/30/989962030.db2.gz JBONLRXONICMAI-UHFFFAOYSA-N -1 0 327.380 3.743 20 0 EHADRM CC(C)(C)Oc1cccc(COC(=O)c2ccc(/C=C/C(=O)[O-])o2)c1 ZINC001590420119 989962840 /nfs/dbraw/zinc/96/28/40/989962840.db2.gz NRVGWXRVQKAAHN-CSKARUKUSA-N -1 0 344.363 3.912 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)s1 ZINC001590475068 990048415 /nfs/dbraw/zinc/04/84/15/990048415.db2.gz FXOBLJVMMBRVNJ-AVGNSLFASA-N -1 0 335.469 3.904 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1Cl ZINC001590475599 990050240 /nfs/dbraw/zinc/05/02/40/990050240.db2.gz OACFMPSALXDTAF-UONOGXRCSA-N -1 0 349.858 3.820 20 0 EHADRM CC(C)(C)c1ccc(CCC(=O)NC[C@@H](CC2CC2)C(=O)[O-])cc1 ZINC001590485536 990085309 /nfs/dbraw/zinc/08/53/09/990085309.db2.gz ZGOFTZITPXWIGT-MRXNPFEDSA-N -1 0 331.456 3.534 20 0 EHADRM CN(C(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1)C1CCCCCCC1 ZINC001597991168 990090713 /nfs/dbraw/zinc/09/07/13/990090713.db2.gz CKOCUVXKJATWPA-YLJYHZDGSA-N -1 0 329.440 3.816 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)NC2(CC(=O)[O-])CCCCC2)cn1 ZINC001590494407 990101546 /nfs/dbraw/zinc/10/15/46/990101546.db2.gz VJWIQEZKIBNVPW-UHFFFAOYSA-N -1 0 333.432 3.678 20 0 EHADRM CN(C(=O)C1(c2ccccc2)CCCCCC1)C(C)(C)CC(=O)[O-] ZINC001597996605 990105400 /nfs/dbraw/zinc/10/54/00/990105400.db2.gz MTTRJFWUOMYKTN-UHFFFAOYSA-N -1 0 331.456 3.990 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCN2C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001590500714 990115838 /nfs/dbraw/zinc/11/58/38/990115838.db2.gz MBYMDPTXWDYDIN-UHFFFAOYSA-N -1 0 339.395 3.672 20 0 EHADRM CC(C)(C)c1ccccc1C(=O)Nc1cnc(C(=O)[O-])c(Cl)c1 ZINC001590506394 990122271 /nfs/dbraw/zinc/12/22/71/990122271.db2.gz VWCLCOFJZLVETL-UHFFFAOYSA-N -1 0 332.787 3.983 20 0 EHADRM CC(C)(C)c1csc(COC(=O)CCc2ccc(C(=O)[O-])cc2)n1 ZINC001590532120 990143678 /nfs/dbraw/zinc/14/36/78/990143678.db2.gz DXMRIURZEXDQBZ-UHFFFAOYSA-N -1 0 347.436 3.815 20 0 EHADRM CC(C)(C)c1nc2ccc(Nc3nccc(C(=O)[O-])n3)cc2s1 ZINC001590545334 990180580 /nfs/dbraw/zinc/18/05/80/990180580.db2.gz DQFCGFYQLOBCFV-UHFFFAOYSA-N -1 0 328.397 3.826 20 0 EHADRM CC(C)(C)c1nnc(CNc2ccc(C(=O)[O-])c3ccccc23)o1 ZINC001590565351 990200971 /nfs/dbraw/zinc/20/09/71/990200971.db2.gz FEPUDQSSJUMMOL-UHFFFAOYSA-N -1 0 325.368 3.831 20 0 EHADRM CC(C)(C)c1cc(C(=O)NC(C)(C)CC(=O)[O-])c(O)c(C(C)(C)C)c1 ZINC001590642239 990332351 /nfs/dbraw/zinc/33/23/51/990332351.db2.gz QTOKRCUUGIIYJM-UHFFFAOYSA-N -1 0 349.471 3.970 20 0 EHADRM CC(C)(CC(F)(F)F)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O ZINC001590649101 990336205 /nfs/dbraw/zinc/33/62/05/990336205.db2.gz RMZZNTLYGHBZTK-UHFFFAOYSA-N -1 0 339.697 3.661 20 0 EHADRM CC(C)(CCC(=O)OCc1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC001590665015 990365853 /nfs/dbraw/zinc/36/58/53/990365853.db2.gz YYAHBIRKNQCLHQ-UHFFFAOYSA-N -1 0 327.380 3.581 20 0 EHADRM CN(C(=O)c1ccc(C(F)(F)F)c(F)c1)C1(C(=O)[O-])CCCCC1 ZINC001598083370 990410533 /nfs/dbraw/zinc/41/05/33/990410533.db2.gz WAHILYUQSQHEAT-UHFFFAOYSA-N -1 0 347.308 3.704 20 0 EHADRM CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1(C(=O)[O-])CCCCC1 ZINC001598085337 990413829 /nfs/dbraw/zinc/41/38/29/990413829.db2.gz GQWHPELFFDYUAN-UHFFFAOYSA-N -1 0 347.308 3.704 20 0 EHADRM CC(C)(CNC(=O)/C=C\c1cc(C(=O)[O-])co1)c1cccc(Cl)c1 ZINC001590708201 990458512 /nfs/dbraw/zinc/45/85/12/990458512.db2.gz SWZVMBRQNFUVAG-SREVYHEPSA-N -1 0 347.798 3.738 20 0 EHADRM CC(C)(CNC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])C1CC1 ZINC001590724157 990510269 /nfs/dbraw/zinc/51/02/69/990510269.db2.gz TWPCNIVXHGBSNB-HNNXBMFYSA-N -1 0 332.444 3.574 20 0 EHADRM CC(C)(CNC(=O)Nc1cccc(OCC(=O)[O-])c1)C1=CCCCC1 ZINC001590738190 990531427 /nfs/dbraw/zinc/53/14/27/990531427.db2.gz GJTOVCLEOPCQGD-UHFFFAOYSA-N -1 0 346.427 3.798 20 0 EHADRM CC(C)(Oc1ccc(Cl)cc1)C(=O)OC1CCC(C(=O)[O-])CC1 ZINC001590904355 990864817 /nfs/dbraw/zinc/86/48/17/990864817.db2.gz DYAIUNKCYRAKIZ-UHFFFAOYSA-N -1 0 340.803 3.684 20 0 EHADRM CC(C)=C[C@H]1[C@H](C(=O)N(CCC(=O)[O-])Cc2ccccc2)C1(C)C ZINC001590914544 990898796 /nfs/dbraw/zinc/89/87/96/990898796.db2.gz JEBMQIBFYYSAPF-FUHWJXTLSA-N -1 0 329.440 3.728 20 0 EHADRM COc1cccc(SCCOc2ccc(C(=O)[O-])cc2OC)c1 ZINC001599684247 990960972 /nfs/dbraw/zinc/96/09/72/990960972.db2.gz RQMCONWGGBDYPF-UHFFFAOYSA-N -1 0 334.393 3.573 20 0 EHADRM CC(C)[C@@H](C(=O)N1CCc2c1cccc2C(=O)[O-])c1ccc(F)cc1 ZINC001590952387 991012460 /nfs/dbraw/zinc/01/24/60/991012460.db2.gz CISGVVVPQZOYLY-GOSISDBHSA-N -1 0 341.382 3.853 20 0 EHADRM CC(C)[C@@H](C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1cccc(Cl)c1 ZINC001590952602 991014944 /nfs/dbraw/zinc/01/49/44/991014944.db2.gz HRMCUNLLAZOVDE-APHBMKBZSA-N -1 0 337.847 3.649 20 0 EHADRM C[NH+](C)Cc1cccc(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)c1 ZINC001598253601 991045970 /nfs/dbraw/zinc/04/59/70/991045970.db2.gz XFYDXIWAGGIWST-UHFFFAOYSA-N -1 0 348.402 3.852 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)C(=O)NCc1ccccc1C(=O)[O-] ZINC001590969174 991094517 /nfs/dbraw/zinc/09/45/17/991094517.db2.gz YOFUDGAJRCQKBF-OAQYLSRUSA-N -1 0 339.435 3.906 20 0 EHADRM CC(C)[C@@H](CC(=O)OCc1cccc(C(=O)[O-])n1)c1ccccc1 ZINC001590975391 991117414 /nfs/dbraw/zinc/11/74/14/991117414.db2.gz BJTNERRLJMHHTE-MRXNPFEDSA-N -1 0 327.380 3.653 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC001599696570 991157216 /nfs/dbraw/zinc/15/72/16/991157216.db2.gz CJXRZPYVDZTWGS-MRXNPFEDSA-N -1 0 347.455 3.513 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001590994208 991218128 /nfs/dbraw/zinc/21/81/28/991218128.db2.gz XBUBUTKHQORNMP-KRWDZBQOSA-N -1 0 344.386 3.913 20 0 EHADRM CC(C)[C@H](NC(=O)/C=C/c1cc(C(=O)[O-])co1)c1ccc(F)cc1 ZINC001591001765 991260221 /nfs/dbraw/zinc/26/02/21/991260221.db2.gz YEJKXBIZYGOHKF-OZSKJFCKSA-N -1 0 331.343 3.644 20 0 EHADRM CN(C)c1cc(NC(=O)CC(C)(C)CC(=O)[O-])cc(C(F)(F)F)c1 ZINC001598307350 991270376 /nfs/dbraw/zinc/27/03/76/991270376.db2.gz OXCUGMOSAGBGMF-UHFFFAOYSA-N -1 0 346.349 3.601 20 0 EHADRM COc1ccccc1CC(=O)Oc1cc2ccccc2cc1C(=O)[O-] ZINC001599704363 991270909 /nfs/dbraw/zinc/27/09/09/991270909.db2.gz UWCDRZJUFOWIRU-UHFFFAOYSA-N -1 0 336.343 3.695 20 0 EHADRM CN(C)c1cc(N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@H]23)cc(C(F)(F)F)c1 ZINC001598307737 991277094 /nfs/dbraw/zinc/27/70/94/991277094.db2.gz IJOTYUIGJXZNCN-WVGQAWGZSA-N -1 0 342.361 3.683 20 0 EHADRM CC(C)[C@H](NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC001591018825 991298353 /nfs/dbraw/zinc/29/83/53/991298353.db2.gz JFAOGRNYJJMSOT-SCRDCRAPSA-N -1 0 343.345 3.630 20 0 EHADRM COc1ccccc1CN(Cc1cccc(C(=O)[O-])c1Cl)OC ZINC001599711378 991376771 /nfs/dbraw/zinc/37/67/71/991376771.db2.gz VULYJUVWRLFIRU-UHFFFAOYSA-N -1 0 335.787 3.610 20 0 EHADRM CC(C)[C@H](OC(=O)/C=C/c1ccc2ccc(Cl)cc2n1)C(=O)[O-] ZINC001591041543 991392298 /nfs/dbraw/zinc/39/22/98/991392298.db2.gz DNVXDPXGXJYJIH-WAVCKPEOSA-N -1 0 333.771 3.554 20 0 EHADRM COc1ccccc1CNc1nc(C)nc2sc(C(=O)[O-])c(C)c21 ZINC001599712944 991402229 /nfs/dbraw/zinc/40/22/29/991402229.db2.gz PTQZWCSZCNNZNE-UHFFFAOYSA-N -1 0 343.408 3.627 20 0 EHADRM CC(C)[C@@H](OC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1)C(=O)[O-] ZINC001591046576 991433807 /nfs/dbraw/zinc/43/38/07/991433807.db2.gz AJDDTQPBGQITLY-GFCCVEGCSA-N -1 0 332.318 3.793 20 0 EHADRM CC(C)[C@@H](OC(=O)c1ccc(Oc2ccc(Cl)cn2)cc1)C(=O)[O-] ZINC001591046903 991437871 /nfs/dbraw/zinc/43/78/71/991437871.db2.gz GWQRYMSJQJNGMU-OAHLLOKOSA-N -1 0 349.770 3.793 20 0 EHADRM COc1cnc2ccccc2c1C(=O)Nc1cccc(C(=O)[O-])c1C ZINC001599725238 991609404 /nfs/dbraw/zinc/60/94/04/991609404.db2.gz CIVFTKURGVWKGY-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM CC(C)[C@H]1CCCN(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)CC1 ZINC001591087776 991612315 /nfs/dbraw/zinc/61/23/15/991612315.db2.gz SHWVIXFMKWFCKE-LBPRGKRZSA-N -1 0 344.415 3.551 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)[C@H]1C(C)C ZINC001591093264 991655779 /nfs/dbraw/zinc/65/57/79/991655779.db2.gz NGUDQUAYMCXKPW-WMZOPIPTSA-N -1 0 348.443 3.684 20 0 EHADRM CC(C)[C@@H]1CCc2ccccc2N1C(=O)Cc1ccccc1C(=O)[O-] ZINC001591094370 991671292 /nfs/dbraw/zinc/67/12/92/991671292.db2.gz JUQLJQCXFCVJQZ-SFHVURJKSA-N -1 0 337.419 3.931 20 0 EHADRM CC(C)C[C@H](C(=O)OCc1cccc(C(=O)[O-])n1)c1ccccc1 ZINC001591124198 991812183 /nfs/dbraw/zinc/81/21/83/991812183.db2.gz IIBIPWORUKDMHC-INIZCTEOSA-N -1 0 327.380 3.653 20 0 EHADRM CC(C)C[C@H](C)C(=O)N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001591130484 991821899 /nfs/dbraw/zinc/82/18/99/991821899.db2.gz IPHBVLCCFLOPDG-GWCFXTLKSA-N -1 0 331.334 3.630 20 0 EHADRM CC(C)C[C@H](CNC(=O)CCc1ccc(F)c2ccccc12)C(=O)[O-] ZINC001591149264 991890196 /nfs/dbraw/zinc/89/01/96/991890196.db2.gz PVAUKLQGDUDSOS-OAHLLOKOSA-N -1 0 345.414 3.775 20 0 EHADRM CN(C[C@H]1CC1(C)C)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001598447890 991893134 /nfs/dbraw/zinc/89/31/34/991893134.db2.gz JYKCDOUOCSUDIN-HUUCEWRRSA-N -1 0 332.444 3.526 20 0 EHADRM CC(C)C[C@@H](CNC(=O)c1ccc(N2CCCCCC2)cc1)C(=O)[O-] ZINC001591156209 991901788 /nfs/dbraw/zinc/90/17/88/991901788.db2.gz OPUBJVWPIIWXTC-KRWDZBQOSA-N -1 0 346.471 3.544 20 0 EHADRM CC(C)C[C@H](NC(=O)CSCc1ccc(C(C)C)cc1)C(=O)[O-] ZINC001591173201 991962967 /nfs/dbraw/zinc/96/29/67/991962967.db2.gz DIYLMIMKXCFTCJ-INIZCTEOSA-N -1 0 337.485 3.659 20 0 EHADRM CC(C)C[C@H](Sc1nc(C2CC2)nn1-c1ccccc1)C(=O)[O-] ZINC001591191332 992001811 /nfs/dbraw/zinc/00/18/11/992001811.db2.gz VZNIMSDEEBNSIU-AWEZNQCLSA-N -1 0 331.441 3.736 20 0 EHADRM CC(C)C[C@@H]1CCCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC001591207052 992037756 /nfs/dbraw/zinc/03/77/56/992037756.db2.gz CARIBCVJSUGWOL-NSHDSACASA-N -1 0 340.370 3.953 20 0 EHADRM CC(C)CC[C@H](C)NC(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC001591217367 992072406 /nfs/dbraw/zinc/07/24/06/992072406.db2.gz GCNCGANTAVJFSZ-RYUDHWBXSA-N -1 0 340.395 3.624 20 0 EHADRM CC(C)CC[C@H]1CCC[C@H]1Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001591227385 992098487 /nfs/dbraw/zinc/09/84/87/992098487.db2.gz FGTAODQSAJXQGB-RHSMWYFYSA-N -1 0 332.444 3.518 20 0 EHADRM CC(C)CCCCC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001591229886 992115611 /nfs/dbraw/zinc/11/56/11/992115611.db2.gz ZJEVSIGRDHLTDT-HNNXBMFYSA-N -1 0 329.799 3.937 20 0 EHADRM CC(C)CCOc1ccc(CNC(C)(C)c2cc(C(=O)[O-])on2)cc1 ZINC001591261077 992171955 /nfs/dbraw/zinc/17/19/55/992171955.db2.gz UAAHCGXOYYHBPM-UHFFFAOYSA-N -1 0 346.427 3.823 20 0 EHADRM CC(C)CCSCC(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001591266897 992183576 /nfs/dbraw/zinc/18/35/76/992183576.db2.gz VBRGRMXGVLEMLA-UHFFFAOYSA-N -1 0 332.425 3.651 20 0 EHADRM CN(CCCNc1nc(Cl)c(C(=O)[O-])s1)c1ccccc1F ZINC001598483668 992186904 /nfs/dbraw/zinc/18/69/04/992186904.db2.gz YYRDZEYDABHLNP-UHFFFAOYSA-N -1 0 343.811 3.572 20 0 EHADRM CC(C)CN(C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)C(C)(C)C(=O)[O-] ZINC001591281389 992214433 /nfs/dbraw/zinc/21/44/33/992214433.db2.gz NDSXXACTSWIXPB-VXGBXAGGSA-N -1 0 337.382 3.703 20 0 EHADRM CC(C)CN(C(=O)c1csc(C(=O)[O-])n1)c1cccc(Cl)c1 ZINC001591285576 992225716 /nfs/dbraw/zinc/22/57/16/992225716.db2.gz YASILXRSOFUORX-UHFFFAOYSA-N -1 0 338.816 3.798 20 0 EHADRM CS[C@@H](C(=O)N(CCC(=O)[O-])c1cccc(F)c1)c1ccccc1 ZINC001599780793 992361840 /nfs/dbraw/zinc/36/18/40/992361840.db2.gz MFODRXCPEXWTLS-QGZVFWFLSA-N -1 0 347.411 3.738 20 0 EHADRM CN(CCOC(C)(C)C)[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001598496998 992380979 /nfs/dbraw/zinc/38/09/79/992380979.db2.gz UBTTUKPDQQSUFX-CYBMUJFWSA-N -1 0 334.243 3.866 20 0 EHADRM O=C(N[C@H]1CCOc2c(-c3ccccc3)cccc21)c1cncc(O)c1 ZINC000339822673 1015702745 /nfs/dbraw/zinc/70/27/45/1015702745.db2.gz OQAGEYHTESUIEY-IBGZPJMESA-N -1 0 346.386 3.708 20 0 EHADRM CC(C)CNc1nnc(SCc2cc(C(=O)[O-])cs2)s1 ZINC001591379520 992422080 /nfs/dbraw/zinc/42/20/80/992422080.db2.gz HIPUPHKVQUHYEN-UHFFFAOYSA-N -1 0 329.472 3.658 20 0 EHADRM CC(C)COc1ccccc1C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC001591402210 992482334 /nfs/dbraw/zinc/48/23/34/992482334.db2.gz VILQBVYULFLZTE-UHFFFAOYSA-N -1 0 347.455 3.876 20 0 EHADRM CN(Cc1cc(Cl)ccc1F)C(=O)NCCCCCCC(=O)[O-] ZINC001598507243 992522169 /nfs/dbraw/zinc/52/21/69/992522169.db2.gz KHEARRHPPQDHIQ-UHFFFAOYSA-N -1 0 344.814 3.656 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)N[C@H](CC(C)(C)C)C(=O)[O-])cc1 ZINC001591484123 992606995 /nfs/dbraw/zinc/60/69/95/992606995.db2.gz QYJFGAQHJGQTDS-QGZVFWFLSA-N -1 0 333.472 3.823 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)Nc2cccc(C(=O)[O-])n2)c1 ZINC001591489704 992621436 /nfs/dbraw/zinc/62/14/36/992621436.db2.gz XETANYVNZHBQDG-CYBMUJFWSA-N -1 0 326.396 3.721 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)N2CC[C@@H](C)C[C@H]2C(=O)[O-])c1 ZINC001591489824 992622298 /nfs/dbraw/zinc/62/22/98/992622298.db2.gz YRWRPZSOUSRBOG-VKJFTORMSA-N -1 0 331.456 3.700 20 0 EHADRM CC(C)Cn1ccc2c1cccc2C(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC001591521256 992689864 /nfs/dbraw/zinc/68/98/64/992689864.db2.gz FGXGFXYYSFUVSE-OAHLLOKOSA-N -1 0 342.439 3.528 20 0 EHADRM CC(C)Cn1ncc(N[C@@H](C)c2cc(C(=O)[O-])co2)c1C(F)F ZINC001591534085 992714200 /nfs/dbraw/zinc/71/42/00/992714200.db2.gz VZLJHVZEJRBIEH-VIFPVBQESA-N -1 0 327.331 3.941 20 0 EHADRM CC(C)N(C(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccc(Nc2ccccc2)cc1 ZINC001591543480 992727583 /nfs/dbraw/zinc/72/75/83/992727583.db2.gz HWOXSWFUQNBSHU-ZWKOTPCHSA-N -1 0 338.407 3.892 20 0 EHADRM CN(Cc1ccccc1Cl)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001598529362 992759407 /nfs/dbraw/zinc/75/94/07/992759407.db2.gz FDFLDWAXBAVMLT-UHFFFAOYSA-N -1 0 338.835 3.517 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1cc2cccc(Cl)c2s1 ZINC001591582069 992790312 /nfs/dbraw/zinc/79/03/12/992790312.db2.gz DWBLIKFTSWLZGU-UHFFFAOYSA-N -1 0 325.817 3.880 20 0 EHADRM CC(C)N(Cc1ccc(-c2cccc(F)c2)s1)C(=O)CC(=O)[O-] ZINC001591596417 992821327 /nfs/dbraw/zinc/82/13/27/992821327.db2.gz BLUPOUDRTVQDQE-UHFFFAOYSA-N -1 0 335.400 3.766 20 0 EHADRM Cc1nn(C)c(C)c1CCC(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000154678210 1015754110 /nfs/dbraw/zinc/75/41/10/1015754110.db2.gz MPHMDAYPLYTEOY-UHFFFAOYSA-N -1 0 342.226 3.621 20 0 EHADRM COc1ccc(NC(=O)CCCSC(C)(C)C)c(C(=O)[O-])c1 ZINC001599589432 993658863 /nfs/dbraw/zinc/65/88/63/993658863.db2.gz IIHQSTGOIIXMCQ-UHFFFAOYSA-N -1 0 325.430 3.644 20 0 EHADRM C[C@@H](NC(=O)NCC(C)(C)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001593085022 993692093 /nfs/dbraw/zinc/69/20/93/993692093.db2.gz ZARVAMLWKWBDMK-SNVBAGLBSA-N -1 0 346.349 3.567 20 0 EHADRM COc1ccc(NC(=O)Nc2ccc(CC(=O)[O-])cc2)cc1SC ZINC001599594143 993726792 /nfs/dbraw/zinc/72/67/92/993726792.db2.gz MMOMPIBIKGUBAL-UHFFFAOYSA-N -1 0 346.408 3.688 20 0 EHADRM COc1ccc(NC(=O)NCC2(CC(=O)[O-])CCCC2)cc1Cl ZINC001599595435 993743811 /nfs/dbraw/zinc/74/38/11/993743811.db2.gz JKASHELWWVTSPG-UHFFFAOYSA-N -1 0 340.807 3.505 20 0 EHADRM C[C@H](NC(=O)Nc1cc(C(=O)[O-])cc2cccnc21)c1ccccc1 ZINC001593110118 993780509 /nfs/dbraw/zinc/78/05/09/993780509.db2.gz VKINUDGWRWFJON-LBPRGKRZSA-N -1 0 335.363 3.816 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(OCCC(=O)[O-])cc1)[C@]12C[C@H]1CCCC2 ZINC001593115907 993803929 /nfs/dbraw/zinc/80/39/29/993803929.db2.gz SAJKZBOWWZGRQC-KSMMKXTCSA-N -1 0 346.427 3.630 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(Cl)cc1F)c1ncc(C(=O)[O-])s1 ZINC001593116194 993807016 /nfs/dbraw/zinc/80/70/16/993807016.db2.gz YKWNZIZMYAQNCO-LURJTMIESA-N -1 0 343.767 3.517 20 0 EHADRM COc1ccc2c(c1)[C@H](C(=O)O[C@@H](C)c1cc(C(=O)[O-])co1)CCC2 ZINC001599624162 994124633 /nfs/dbraw/zinc/12/46/33/994124633.db2.gz ALKQKSNHMRWASX-XHDPSFHLSA-N -1 0 344.363 3.711 20 0 EHADRM C[C@@H](N[C@H](C)c1ccccc1OCC(=O)[O-])c1cccc(F)c1F ZINC001593197300 994162480 /nfs/dbraw/zinc/16/24/80/994162480.db2.gz JIMROIBLLCOJDY-VXGBXAGGSA-N -1 0 335.350 3.840 20 0 EHADRM C[C@H](N[C@@H](C)c1ccc(Br)cn1)c1cc(C(=O)[O-])co1 ZINC001593198527 994173300 /nfs/dbraw/zinc/17/33/00/994173300.db2.gz SDXFPURHZFAVES-IUCAKERBSA-N -1 0 339.189 3.547 20 0 EHADRM C[C@@H](N[C@@H](C)c1cc(F)c(F)c(F)c1)c1ncc(C(=O)[O-])s1 ZINC001593203286 994185714 /nfs/dbraw/zinc/18/57/14/994185714.db2.gz DAIUEFPPWXNKNR-NKWVEPMBSA-N -1 0 330.331 3.670 20 0 EHADRM C[C@@H](N[C@@H](C)c1ccc(OCC2CC2)c(F)c1)c1nc(C(=O)[O-])co1 ZINC001593203766 994190944 /nfs/dbraw/zinc/19/09/44/994190944.db2.gz HKLAPMNCGPOSOD-WDEREUQCSA-N -1 0 348.374 3.713 20 0 EHADRM C[C@@H](N[C@@H](C)c1nccn1-c1ccccc1)c1cc(C(=O)[O-])co1 ZINC001593204884 994208801 /nfs/dbraw/zinc/20/88/01/994208801.db2.gz WSZQDJHFYBENDN-OLZOCXBDSA-N -1 0 325.368 3.575 20 0 EHADRM COc1ccc2cc(C(=O)N3[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]3C)sc2c1 ZINC001599633431 994251738 /nfs/dbraw/zinc/25/17/38/994251738.db2.gz JPRHNTJPDKNBLI-PTEHBNRSSA-N -1 0 347.436 3.624 20 0 EHADRM COc1ccc2cc(C(=O)N[C@H](C(=O)[O-])c3ccsc3)sc2c1 ZINC001599633882 994258113 /nfs/dbraw/zinc/25/81/13/994258113.db2.gz SSWMFXJDOVTYMU-AWEZNQCLSA-N -1 0 347.417 3.527 20 0 EHADRM COc1ccc2cc(NC(=O)N3CCC[C@](C)(C(=O)[O-])C3)ccc2c1 ZINC001599634222 994262693 /nfs/dbraw/zinc/26/26/93/994262693.db2.gz CDUVTNITKVNEEA-IBGZPJMESA-N -1 0 342.395 3.567 20 0 EHADRM C[C@@H](N[C@@H]1CCCn2nc(C(=O)[O-])cc21)c1nc(C(C)(C)C)cs1 ZINC001593218809 994292592 /nfs/dbraw/zinc/29/25/92/994292592.db2.gz KWKLGTXHYJFHPL-GHMZBOCLSA-N -1 0 348.472 3.521 20 0 EHADRM COc1ccc2cc(C(=O)NCC3(CC(=O)[O-])CCCC3)sc2c1 ZINC001599636597 994297461 /nfs/dbraw/zinc/29/74/61/994297461.db2.gz SBYYOOVUPOXLQZ-UHFFFAOYSA-N -1 0 347.436 3.675 20 0 EHADRM COc1ccc2occ(C(=O)OCc3ccc(C(=O)[O-])c(F)c3)c2c1 ZINC001599637272 994307588 /nfs/dbraw/zinc/30/75/88/994307588.db2.gz FHSVRIYJRYMSKW-UHFFFAOYSA-N -1 0 344.294 3.636 20 0 EHADRM COc1cccc(-c2ccc(C[NH2+]Cc3ccoc3C(=O)[O-])cc2)c1 ZINC001599639613 994338584 /nfs/dbraw/zinc/33/85/84/994338584.db2.gz QEYROVNKHDISNU-UHFFFAOYSA-N -1 0 337.375 3.943 20 0 EHADRM COc1cccc(-c2nc(CN3CCCCC[C@H]3C(=O)[O-])cs2)c1 ZINC001599641219 994362083 /nfs/dbraw/zinc/36/20/83/994362083.db2.gz XYBGQEWOLABVSV-INIZCTEOSA-N -1 0 346.452 3.648 20 0 EHADRM COc1cccc(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)c1C ZINC001599642364 994376868 /nfs/dbraw/zinc/37/68/68/994376868.db2.gz IMNHYALVRABGKZ-UHFFFAOYSA-N -1 0 348.424 3.708 20 0 EHADRM COc1cccc(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)c1OC(C)C ZINC001599642668 994380935 /nfs/dbraw/zinc/38/09/35/994380935.db2.gz JYAUKUWJNBEFRH-UHFFFAOYSA-N -1 0 343.379 3.741 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)C[C@H](C)C1CCCCC1 ZINC001599645244 994416913 /nfs/dbraw/zinc/41/69/13/994416913.db2.gz ICNZNGKCCVQMPY-ZDUSSCGKSA-N -1 0 333.428 3.963 20 0 EHADRM COc1cccc([C@@H](C)C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)c1 ZINC001599654500 994555979 /nfs/dbraw/zinc/55/59/79/994555979.db2.gz OZKQZKSQLPJNLV-LLVKDONJSA-N -1 0 338.363 3.617 20 0 EHADRM COc1cccc([C@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)[O-])c1 ZINC001599654659 994559472 /nfs/dbraw/zinc/55/94/72/994559472.db2.gz WPAAVQBIWUTUTN-JTQLQIEISA-N -1 0 333.771 3.789 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)N[C@@]2(C(=O)[O-])CCCC(C)(C)C2)c1 ZINC001599655040 994564601 /nfs/dbraw/zinc/56/46/01/994564601.db2.gz IBNHQGSNRFJAOS-XOBRGWDASA-N -1 0 347.455 3.729 20 0 EHADRM COc1cccc([C@H](C)CC(=O)O[C@@H](C(=O)[O-])c2ccsc2)c1 ZINC001599655025 994564677 /nfs/dbraw/zinc/56/46/77/994564677.db2.gz HVHNPJKYGXENFM-BDJLRTHQSA-N -1 0 334.393 3.619 20 0 EHADRM C[C@H](NCc1coc(-c2ccccc2)n1)c1cc(C(=O)[O-])cs1 ZINC001593311526 994783701 /nfs/dbraw/zinc/78/37/01/994783701.db2.gz GXLUYCBNBFACDO-NSHDSACASA-N -1 0 328.393 3.952 20 0 EHADRM C[C@H](NCc1csc(-c2cccc(C(=O)[O-])c2)n1)c1ccns1 ZINC001593312209 994796682 /nfs/dbraw/zinc/79/66/82/994796682.db2.gz QJYQMZAOSHFSPZ-JTQLQIEISA-N -1 0 345.449 3.816 20 0 EHADRM C[C@](NCc1oc2ccccc2c1Br)(C(=O)[O-])C1CC1 ZINC001593317014 994815321 /nfs/dbraw/zinc/81/53/21/994815321.db2.gz LOXPENIZUAWGMP-OAHLLOKOSA-N -1 0 338.201 3.538 20 0 EHADRM CNc1cc(Cl)ccc1C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC001598675658 994838160 /nfs/dbraw/zinc/83/81/60/994838160.db2.gz CMGPACUGEODQGV-OAHLLOKOSA-N -1 0 338.835 3.535 20 0 EHADRM COc1cccc(COC(=O)N[C@H](CCC(=O)[O-])c2ccccc2)c1 ZINC001599675240 994885724 /nfs/dbraw/zinc/88/57/24/994885724.db2.gz AQJJELCUTDVMHY-QGZVFWFLSA-N -1 0 343.379 3.528 20 0 EHADRM COc1cccc(N(CC(C)C)C(=O)c2ccc(C(=O)[O-])s2)c1 ZINC001599676915 994912552 /nfs/dbraw/zinc/91/25/52/994912552.db2.gz IGXWXWPDRAZGGM-UHFFFAOYSA-N -1 0 333.409 3.758 20 0 EHADRM C[C@@H](Nc1ccc(Cl)cc1SCCC(=O)[O-])c1nccn1C ZINC001593363869 995038804 /nfs/dbraw/zinc/03/88/04/995038804.db2.gz WCZSCTINDNSVOC-SNVBAGLBSA-N -1 0 339.848 3.813 20 0 EHADRM C[C@H](Nc1ccccc1COCc1ccccc1)[C@@H]1C[C@H]1C(=O)[O-] ZINC001593367705 995059398 /nfs/dbraw/zinc/05/93/98/995059398.db2.gz QPIGUHSEUVNRKO-JCGIZDLHSA-N -1 0 325.408 3.925 20 0 EHADRM COC(=O)[C@@H](Cc1ccc(C)cc1)S[C@H](C)c1ccc(C(=O)[O-])o1 ZINC001598705594 995282369 /nfs/dbraw/zinc/28/23/69/995282369.db2.gz WDFDURRKCLSPOY-MLGOLLRUSA-N -1 0 348.420 3.865 20 0 EHADRM COC(=O)[C@H](NCc1ccc(C(C)C)cc1)c1cccc(C(=O)[O-])c1 ZINC001598708545 995318710 /nfs/dbraw/zinc/31/87/10/995318710.db2.gz FMIONXBWAJVTBD-GOSISDBHSA-N -1 0 341.407 3.512 20 0 EHADRM C[C@@H](OC(=O)Cc1cc(Cl)cc(Cl)c1)c1nc(C(=O)[O-])co1 ZINC001593535276 995595104 /nfs/dbraw/zinc/59/51/04/995595104.db2.gz PSVQHWQHJFKCME-SSDOTTSWSA-N -1 0 344.150 3.527 20 0 EHADRM C[C@@H](OC(=O)Cc1ccc(Cl)cc1Cl)c1nc(C(=O)[O-])co1 ZINC001593535569 995596151 /nfs/dbraw/zinc/59/61/51/995596151.db2.gz UEBPQBOPJZUKON-SSDOTTSWSA-N -1 0 344.150 3.527 20 0 EHADRM C[C@H](OC(=O)c1cc(-c2ccccc2)no1)c1cc(C(=O)[O-])co1 ZINC001593555184 995638795 /nfs/dbraw/zinc/63/87/95/995638795.db2.gz ZZVDIMUIQXENTP-JTQLQIEISA-N -1 0 327.292 3.551 20 0 EHADRM C[C@H](OC(=O)c1cc(C2CC2)cnc1Cl)c1ccc(C(=O)[O-])o1 ZINC001593556360 995642063 /nfs/dbraw/zinc/64/20/63/995642063.db2.gz IGDOCZAXDXWHEK-QMMMGPOBSA-N -1 0 335.743 3.822 20 0 EHADRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])n1C)c1ccc(C(F)(F)F)cc1 ZINC001593574104 995676589 /nfs/dbraw/zinc/67/65/89/995676589.db2.gz DGUUJJXXSGVCEB-SECBINFHSA-N -1 0 341.285 3.660 20 0 EHADRM C[C@H](OC(=O)c1ccc(F)c2cccnc12)c1cc(C(=O)[O-])co1 ZINC001593578665 995687981 /nfs/dbraw/zinc/68/79/81/995687981.db2.gz HDUPYGNDULZJPV-VIFPVBQESA-N -1 0 329.283 3.583 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001593602462 995763613 /nfs/dbraw/zinc/76/36/13/995763613.db2.gz GGFXBLQTXDGTLK-ZBFHGGJFSA-N -1 0 339.476 3.512 20 0 EHADRM C[C@H](OC1CCCCC1)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001593603586 995771614 /nfs/dbraw/zinc/77/16/14/995771614.db2.gz XCOWYSMUVOYPPH-NSHDSACASA-N -1 0 330.384 3.542 20 0 EHADRM C[C@H](Oc1ccc(CN2CC[C@@H]2c2ccc(F)cc2)cc1)C(=O)[O-] ZINC001593615416 995833164 /nfs/dbraw/zinc/83/31/64/995833164.db2.gz JNANUOAMGDHUSC-SCLBCKFNSA-N -1 0 329.371 3.625 20 0 EHADRM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)NC1(CC(=O)[O-])CCCC1 ZINC001593634917 995929054 /nfs/dbraw/zinc/92/90/54/995929054.db2.gz GSEBYKAYPQLAOE-CQSZACIVSA-N -1 0 347.455 3.655 20 0 EHADRM C[C@@H](Oc1cccc(Cl)c1)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC001593639337 995940554 /nfs/dbraw/zinc/94/05/54/995940554.db2.gz IOUFFLOQGZKQFE-VHSXEESVSA-N -1 0 338.743 3.703 20 0 EHADRM C[C@@H](Sc1ccccc1-c1nnc(Cc2cccs2)o1)C(=O)[O-] ZINC001593668750 996066459 /nfs/dbraw/zinc/06/64/59/996066459.db2.gz WEFYGKRZDXPYMQ-SNVBAGLBSA-N -1 0 346.433 3.954 20 0 EHADRM C[C@H](c1ccc(F)c(F)c1)N(C)c1ncc(C(=O)[O-])cc1Cl ZINC001593694236 996149314 /nfs/dbraw/zinc/14/93/14/996149314.db2.gz UZOAEEPCUDDJPW-MRVPVSSYSA-N -1 0 326.730 3.909 20 0 EHADRM C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001593704594 996183686 /nfs/dbraw/zinc/18/36/86/996183686.db2.gz BRSMBXHDULJIPI-BFJITBRVSA-N -1 0 339.391 3.786 20 0 EHADRM Cc1ccc(CCC(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)o1 ZINC000080250707 1016015886 /nfs/dbraw/zinc/01/58/86/1016015886.db2.gz VCLNMPGRGCUBAD-UHFFFAOYSA-N -1 0 333.818 3.581 20 0 EHADRM C[C@@H](c1ncc(C(=O)[O-])s1)N(Cc1ccc(F)cc1)CC1CC1 ZINC001593732132 996308963 /nfs/dbraw/zinc/30/89/63/996308963.db2.gz OSBQBDPVYPDHCH-NSHDSACASA-N -1 0 334.416 3.954 20 0 EHADRM C[C@]1(Br)C[C@H]1CNc1cc(C(=O)[O-])cc2cccnc21 ZINC001593740798 996358028 /nfs/dbraw/zinc/35/80/28/996358028.db2.gz VSRBBQKGCQXVGR-NHYWBVRUSA-N -1 0 335.201 3.518 20 0 EHADRM C[C@]1(C(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)CC=CCC1 ZINC001593745705 996376269 /nfs/dbraw/zinc/37/62/69/996376269.db2.gz XZBJKJQGUUNOCD-NRFANRHFSA-N -1 0 341.451 3.912 20 0 EHADRM CC[C@H](C)CS(=O)(=O)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000180759677 1016039014 /nfs/dbraw/zinc/03/90/14/1016039014.db2.gz CJSYIBDSRSXSGL-UFBFGSQYSA-N -1 0 345.333 3.534 20 0 EHADRM CC1(C(=O)Oc2ccc(C(=O)[O-])cc2Br)CCCC1 ZINC001593813688 996545904 /nfs/dbraw/zinc/54/59/04/996545904.db2.gz RUKWJYROEASJQL-UHFFFAOYSA-N -1 0 327.174 3.633 20 0 EHADRM CC1(C)[C@H](c2ccccc2)CCN1C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001593842866 996606144 /nfs/dbraw/zinc/60/61/44/996606144.db2.gz XKRAGFDVEDWTBK-SFHVURJKSA-N -1 0 337.419 3.722 20 0 EHADRM CC1(C)CC(=O)c2cnc(SCc3ccc(C(=O)[O-])cc3)nc2C1 ZINC001593847567 996614395 /nfs/dbraw/zinc/61/43/95/996614395.db2.gz QHFIAPGIVQVCHI-UHFFFAOYSA-N -1 0 342.420 3.622 20 0 EHADRM CC1(C)C[C@@H](NC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)CCS1 ZINC001593858408 996646880 /nfs/dbraw/zinc/64/68/80/996646880.db2.gz DBUXPBKNOQHMTG-JTQLQIEISA-N -1 0 347.440 3.662 20 0 EHADRM CC1(C)C[C@@H](NC(=O)c2cc(F)cc(C(=O)[O-])c2)c2ccccc21 ZINC001593859313 996649209 /nfs/dbraw/zinc/64/92/09/996649209.db2.gz QIUNPIUIHRDLBK-MRXNPFEDSA-N -1 0 327.355 3.676 20 0 EHADRM CC1(C)C[C@@H](O)c2cccc(NCc3ccc(/C=C\C(=O)[O-])o3)c2O1 ZINC001593861910 996657427 /nfs/dbraw/zinc/65/74/27/996657427.db2.gz NDQVFEZAUSUXKG-HLRDLLSLSA-N -1 0 343.379 3.584 20 0 EHADRM CC1(C)CC[C@@H](Sc2ccc(Br)cc2C(=O)[O-])C1=O ZINC001593883717 996718049 /nfs/dbraw/zinc/71/80/49/996718049.db2.gz QNQLRGMYWNHZPG-LLVKDONJSA-N -1 0 343.242 3.997 20 0 EHADRM CC1(C)CC[C@@H]2C[C@H](NC(=O)c3c[nH]c(C(=O)[O-])c3)c3cccc1c32 ZINC001593886119 996723966 /nfs/dbraw/zinc/72/39/66/996723966.db2.gz QHXVNLKVUCHOFV-ABAIWWIYSA-N -1 0 338.407 3.743 20 0 EHADRM CC1(C)CCC[C@](NC(=O)c2cc(F)cc3cccnc32)(C(=O)[O-])C1 ZINC001593892833 996743482 /nfs/dbraw/zinc/74/34/82/996743482.db2.gz SZERPXFLNPUUEF-LJQANCHMSA-N -1 0 344.386 3.527 20 0 EHADRM CC1(C)CCC[C@@](NC(=O)c2coc(C3CCCCC3)n2)(C(=O)[O-])C1 ZINC001593895693 996749607 /nfs/dbraw/zinc/74/96/07/996749607.db2.gz MGBVWXKEFGMINX-IBGZPJMESA-N -1 0 348.443 3.876 20 0 EHADRM CC1(C)CCC[C@](NC(=O)c2coc(C3CCCCC3)n2)(C(=O)[O-])C1 ZINC001593895696 996749762 /nfs/dbraw/zinc/74/97/62/996749762.db2.gz MGBVWXKEFGMINX-LJQANCHMSA-N -1 0 348.443 3.876 20 0 EHADRM CC1(C)CCC[C@H]1C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001593896841 996755592 /nfs/dbraw/zinc/75/55/92/996755592.db2.gz CXKSEEOLPPDAPQ-XHSDSOJGSA-N -1 0 349.858 3.793 20 0 EHADRM CC1(C)CCCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001593905087 996785501 /nfs/dbraw/zinc/78/55/01/996785501.db2.gz OUUHLUCELPBLKQ-BBWFWOEESA-N -1 0 329.440 3.530 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001599379144 996803905 /nfs/dbraw/zinc/80/39/05/996803905.db2.gz WNGAZZUXMPHPQK-HZPDHXFCSA-N -1 0 340.375 3.883 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000328346136 1016065102 /nfs/dbraw/zinc/06/51/02/1016065102.db2.gz KYLGIJSPRWYUHU-NWDGAFQWSA-N -1 0 347.720 3.964 20 0 EHADRM CC1(C)CCc2cccc(NC(=O)c3ccsc3C(=O)[O-])c2O1 ZINC001593915899 996814430 /nfs/dbraw/zinc/81/44/30/996814430.db2.gz ILDXFXXHAPAJQJ-UHFFFAOYSA-N -1 0 331.393 3.802 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)CCc2ccc(C)cc2C)c1F ZINC001599488184 996890640 /nfs/dbraw/zinc/89/06/40/996890640.db2.gz UMSMNQMXPNFTPK-UHFFFAOYSA-N -1 0 345.370 3.721 20 0 EHADRM CC1(C)CN(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)[C@@H]2CCC[C@@H]21 ZINC001593934165 996895258 /nfs/dbraw/zinc/89/52/58/996895258.db2.gz HVACHUYUNLFSKK-GOEBONIOSA-N -1 0 341.411 3.909 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)c2cc3ccc(F)cc3s2)c1 ZINC001599492555 996965335 /nfs/dbraw/zinc/96/53/35/996965335.db2.gz SMGKSLXOABRXNZ-UHFFFAOYSA-N -1 0 346.335 3.966 20 0 EHADRM COCc1cc(NC(=O)NCC(C)(C)CC(C)C)cc(C(=O)[O-])c1 ZINC001599287082 996999323 /nfs/dbraw/zinc/99/93/23/996999323.db2.gz DWIXMJVEBCQPLG-UHFFFAOYSA-N -1 0 336.432 3.725 20 0 EHADRM COc1cc(C)c(NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1C ZINC001599391030 997035679 /nfs/dbraw/zinc/03/56/79/997035679.db2.gz GVGSCFDHPTWSJH-UHFFFAOYSA-N -1 0 342.395 3.674 20 0 EHADRM COc1ccc(C(=O)[O-])c2c1CN(Cc1ccc(C(F)F)cc1)CC2 ZINC001599500849 997116332 /nfs/dbraw/zinc/11/63/32/997116332.db2.gz BTBRGIIHZGOJSW-UHFFFAOYSA-N -1 0 347.361 3.889 20 0 EHADRM COc1ccc([C@@H](CN=c2[n-]nc(C)o2)c2c[nH]c3ccccc32)cc1 ZINC000339975547 1016094522 /nfs/dbraw/zinc/09/45/22/1016094522.db2.gz KXEMLGOKXHXXJM-QGZVFWFLSA-N -1 0 348.406 3.534 20 0 EHADRM COC1(CCNC(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CCC1 ZINC001599089612 997166922 /nfs/dbraw/zinc/16/69/22/997166922.db2.gz ZTNIGQVZFJTVHK-UHFFFAOYSA-N -1 0 342.395 3.619 20 0 EHADRM COC1(CNc2ncc(C(=O)[O-])cc2C(F)(F)F)CCC(C)CC1 ZINC001599091813 997206346 /nfs/dbraw/zinc/20/63/46/997206346.db2.gz NIQGWGWTZNVSLE-UHFFFAOYSA-N -1 0 346.349 3.806 20 0 EHADRM COc1ccc(/C(C)=C\C(=O)N[C@@]2(C(=O)[O-])CCCC(C)(C)C2)cc1 ZINC001599505958 997210360 /nfs/dbraw/zinc/21/03/60/997210360.db2.gz AEJGODJNOHWFGN-WXFJXSOESA-N -1 0 345.439 3.638 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1Oc1nc(C)nc2c1CCCC2 ZINC001599401121 997215790 /nfs/dbraw/zinc/21/57/90/997215790.db2.gz XUCLIWBWIXOASO-NTMALXAHSA-N -1 0 340.379 3.563 20 0 EHADRM COCC1(C(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)CCCCC1 ZINC001599196710 997230286 /nfs/dbraw/zinc/23/02/86/997230286.db2.gz XRGZQILDEYGFIA-UHFFFAOYSA-N -1 0 326.776 3.541 20 0 EHADRM COc1ccc([C@H](C)OC(=O)Cc2cccc(C(=O)[O-])c2)cc1Cl ZINC001599507799 997241123 /nfs/dbraw/zinc/24/11/23/997241123.db2.gz ANVZTRSQNMQVJN-NSHDSACASA-N -1 0 348.782 3.894 20 0 EHADRM COc1ccc([C@@H](Cc2ccccc2)Nc2ncc(C(=O)[O-])cn2)cc1 ZINC001599517966 997425332 /nfs/dbraw/zinc/42/53/32/997425332.db2.gz XRUSAWVTIIHILU-GOSISDBHSA-N -1 0 349.390 3.579 20 0 EHADRM CC1(CCNC(=O)Nc2cccc(CSCCC(=O)[O-])c2)CC1 ZINC001594007448 997427237 /nfs/dbraw/zinc/42/72/37/997427237.db2.gz JPXXVCKSOIWKEX-UHFFFAOYSA-N -1 0 336.457 3.706 20 0 EHADRM CO[C@@H]1CCC[C@H]([C@@H](NC(=O)C[C@@H](C)CCC=C(C)C)C(=O)[O-])C1 ZINC001599105838 997475121 /nfs/dbraw/zinc/47/51/21/997475121.db2.gz IHDVGDPWJMIXHE-LISAXSMJSA-N -1 0 339.476 3.534 20 0 EHADRM CON(CCOc1ccc(/C=C/C(=O)[O-])cc1)C[C@@H]1CCC[C@@H](C)C1 ZINC001599318260 997536239 /nfs/dbraw/zinc/53/62/39/997536239.db2.gz GBAPERHLZWYCCN-VTGMHELGSA-N -1 0 347.455 3.853 20 0 EHADRM CON(Cc1ccccc1)C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001599319113 997550735 /nfs/dbraw/zinc/55/07/35/997550735.db2.gz QVNNOTLZWUODER-CQSZACIVSA-N -1 0 342.395 3.545 20 0 EHADRM CO[C@H]1CCC[C@@H](CC(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])C1 ZINC001599111189 997571018 /nfs/dbraw/zinc/57/10/18/997571018.db2.gz BNPRXUHBWNVNBH-NEPJUHHUSA-N -1 0 339.819 3.880 20 0 EHADRM COc1cc(F)c(C(=O)Nc2c(C)sc(C)c2C(=O)[O-])c(F)c1 ZINC001599421779 997607775 /nfs/dbraw/zinc/60/77/75/997607775.db2.gz IQORISRVBJIQRY-UHFFFAOYSA-N -1 0 341.335 3.602 20 0 EHADRM CO[C@@H]1CCC[C@H](CC(=O)N2CCCc3c(C(=O)[O-])ccc(C)c32)C1 ZINC001599113713 997614953 /nfs/dbraw/zinc/61/49/53/997614953.db2.gz RROAUXHMKZUJSW-LSDHHAIUSA-N -1 0 345.439 3.568 20 0 EHADRM C[C@]1(Cc2cccc3ccccc32)CCCN1c1cncc(C(=O)[O-])n1 ZINC001594041177 997656569 /nfs/dbraw/zinc/65/65/69/997656569.db2.gz BLMSAHDPMPCQBT-OAQYLSRUSA-N -1 0 347.418 3.930 20 0 EHADRM COc1ccc([C@@H](Nc2ncc(C(=O)[O-])cn2)c2ccc(C)cc2)cc1 ZINC001599532072 997672560 /nfs/dbraw/zinc/67/25/60/997672560.db2.gz NVJYIHGLAXRHHH-SFHVURJKSA-N -1 0 349.390 3.693 20 0 EHADRM COCCCC[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001599223415 997712675 /nfs/dbraw/zinc/71/26/75/997712675.db2.gz LCPUDVZWMFKSAD-KSZLIROESA-N -1 0 347.455 3.552 20 0 EHADRM COc1ccc(C)cc1NC(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001599535591 997739705 /nfs/dbraw/zinc/73/97/05/997739705.db2.gz AYNGICJTFUWILD-HNNXBMFYSA-N -1 0 342.395 3.650 20 0 EHADRM COc1c(C)cc(C(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)cc1C ZINC001599331326 997754775 /nfs/dbraw/zinc/75/47/75/997754775.db2.gz LCWLROMMQTWLGY-UHFFFAOYSA-N -1 0 334.755 3.883 20 0 EHADRM C[C@@]1(NC(=O)c2cc(F)cc(C(=O)[O-])c2)CCCc2ccccc21 ZINC001594055505 997785252 /nfs/dbraw/zinc/78/52/52/997785252.db2.gz FHSVQIMSVYLUDX-LJQANCHMSA-N -1 0 327.355 3.505 20 0 EHADRM COc1cc(NC(=O)[C@@H](C)Cc2cccc(Cl)c2)ccc1C(=O)[O-] ZINC001599433020 997793385 /nfs/dbraw/zinc/79/33/85/997793385.db2.gz CVRPYXSASVVEDK-NSHDSACASA-N -1 0 347.798 3.864 20 0 EHADRM COc1cc(NC(=O)N(C)[C@@H](C)Cc2ccsc2)ccc1C(=O)[O-] ZINC001599433554 997802960 /nfs/dbraw/zinc/80/29/60/997802960.db2.gz CJETWDZSLUFEIK-NSHDSACASA-N -1 0 348.424 3.550 20 0 EHADRM COc1cc(NC(=O)N2C[C@H](C(C)C)[C@H]2C(C)C)ccc1C(=O)[O-] ZINC001599433860 997807367 /nfs/dbraw/zinc/80/73/67/997807367.db2.gz MQNOMRWZOVDENW-GDBMZVCRSA-N -1 0 334.416 3.538 20 0 EHADRM COc1cc(NC(=O)N2CC(C)(C)[C@@H]2c2ccco2)ccc1C(=O)[O-] ZINC001599433897 997808306 /nfs/dbraw/zinc/80/83/06/997808306.db2.gz NOTHPZQSZOOZPR-HNNXBMFYSA-N -1 0 344.367 3.601 20 0 EHADRM C[C@]1(NC(=O)c2coc3ccc(Cl)cc32)CCCC[C@@H]1C(=O)[O-] ZINC001594057238 997808606 /nfs/dbraw/zinc/80/86/06/997808606.db2.gz YOYRSYJKVTUKHQ-DYVFJYSZSA-N -1 0 335.787 3.850 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC001599541025 997842968 /nfs/dbraw/zinc/84/29/68/997842968.db2.gz BDHCAUITYYQRKE-RJXMKIDGSA-N -1 0 330.380 3.525 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)C(C)(C)c1ccccc1 ZINC001599541178 997845448 /nfs/dbraw/zinc/84/54/48/997845448.db2.gz DIMOFZZEDKORGJ-ZRDIBKRKSA-N -1 0 340.375 3.676 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)c1cc2occc2s1 ZINC001599541214 997847046 /nfs/dbraw/zinc/84/70/46/997847046.db2.gz AKLGEMXVRWZRPO-HYXAFXHYSA-N -1 0 344.344 3.820 20 0 EHADRM COc1cc(NC(=O)NC[C@H](CC2CCCC2)C(=O)[O-])c(C)cc1C ZINC001599437742 997878047 /nfs/dbraw/zinc/87/80/47/997878047.db2.gz KWZADCAKVAHHFM-HNNXBMFYSA-N -1 0 348.443 3.715 20 0 EHADRM COc1c(NC(=O)N[C@H](C)c2ccc(F)cc2C)cccc1C(=O)[O-] ZINC001599339813 997902398 /nfs/dbraw/zinc/90/23/98/997902398.db2.gz XOBBLPMPYPWJFZ-LLVKDONJSA-N -1 0 346.358 3.724 20 0 EHADRM COc1c(NC(=O)c2cc3cc(F)ccc3o2)cccc1C(=O)[O-] ZINC001599341452 997928871 /nfs/dbraw/zinc/92/88/71/997928871.db2.gz BLZAWDXRLSZCNA-UHFFFAOYSA-N -1 0 329.283 3.531 20 0 EHADRM COc1c(NC(=O)Nc2cccc3cc[nH]c32)cccc1C(=O)[O-] ZINC001599343141 997955838 /nfs/dbraw/zinc/95/58/38/997955838.db2.gz RNRLBRRMOXUMKP-UHFFFAOYSA-N -1 0 325.324 3.519 20 0 EHADRM COc1c(NC(=O)c2cc3cc(F)ccc3s2)cccc1C(=O)[O-] ZINC001599343164 997955927 /nfs/dbraw/zinc/95/59/27/997955927.db2.gz SMBHEJRDOXJPGG-UHFFFAOYSA-N -1 0 345.351 4.000 20 0 EHADRM C[C@]1(c2ccccc2)CCCN(C(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC001594079637 997971269 /nfs/dbraw/zinc/97/12/69/997971269.db2.gz LEPREUZDINROMC-NRFANRHFSA-N -1 0 337.419 3.969 20 0 EHADRM COc1cc(NCc2c(C)nn(C(C)(C)C)c2C)ccc1C(=O)[O-] ZINC001599444350 997982432 /nfs/dbraw/zinc/98/24/32/997982432.db2.gz SKVIWRSFYPSQMR-UHFFFAOYSA-N -1 0 331.416 3.574 20 0 EHADRM COc1cc(-c2nc3cc(C(=O)[O-])ccc3n2C)ccc1OC(F)F ZINC001599346660 998018430 /nfs/dbraw/zinc/01/84/30/998018430.db2.gz HCAOZWGYGOTWOA-UHFFFAOYSA-N -1 0 348.305 3.549 20 0 EHADRM COc1cc(OC(=O)c2ccc(C)c(C)c2Cl)ccc1C(=O)[O-] ZINC001599447145 998026809 /nfs/dbraw/zinc/02/68/09/998026809.db2.gz FLZXYUBTAGFWQC-UHFFFAOYSA-N -1 0 334.755 3.883 20 0 EHADRM COc1ccc(CCCC(=O)Oc2cc(C(=O)[O-])ccc2C)cc1 ZINC001599554021 998059279 /nfs/dbraw/zinc/05/92/79/998059279.db2.gz NSYJSVKEOCPMTI-UHFFFAOYSA-N -1 0 328.364 3.630 20 0 EHADRM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCc3c2cccc3Cl)c1 ZINC001599450691 998091416 /nfs/dbraw/zinc/09/14/16/998091416.db2.gz KKNMXRHQDRJCLZ-KRWDZBQOSA-N -1 0 347.798 3.546 20 0 EHADRM COc1ccc(CN(C(=O)c2oc(C(=O)[O-])cc2C)C(C)(C)C)cc1 ZINC001599557374 998118238 /nfs/dbraw/zinc/11/82/38/998118238.db2.gz WETLLARZXUTCEL-UHFFFAOYSA-N -1 0 345.395 3.736 20 0 EHADRM COc1cc(OC)cc([C@@H](Sc2ccc(Cl)cn2)C(=O)[O-])c1 ZINC001599451990 998118971 /nfs/dbraw/zinc/11/89/71/998118971.db2.gz UJWOFRCUVWYDEL-CQSZACIVSA-N -1 0 339.800 3.670 20 0 EHADRM COc1cc(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)ccc1Cl ZINC001599355621 998173488 /nfs/dbraw/zinc/17/34/88/998173488.db2.gz DRXWNVQDAOPXCO-SNVBAGLBSA-N -1 0 333.771 3.789 20 0 EHADRM COc1cc(C(=O)Nc2scc(C(=O)[O-])c2C)ccc1Cl ZINC001599356479 998186746 /nfs/dbraw/zinc/18/67/46/998186746.db2.gz OSDPZNZEAXNBDQ-UHFFFAOYSA-N -1 0 325.773 3.669 20 0 EHADRM CC1=C(C)C[C@](C)(C(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)CC1 ZINC001594109567 998194478 /nfs/dbraw/zinc/19/44/78/998194478.db2.gz KOOOQLKDUFDYHU-FXAWDEMLSA-N -1 0 329.440 3.715 20 0 EHADRM COc1cc(OCC(=O)c2csc3ccccc23)ccc1C(=O)[O-] ZINC001599456954 998204239 /nfs/dbraw/zinc/20/42/39/998204239.db2.gz PWZZWXAWSPSEDE-UHFFFAOYSA-N -1 0 342.372 3.870 20 0 EHADRM COc1cc(C(=O)[O-])cc(N[C@@H](C)CCc2ccccc2F)c1OC ZINC001599361825 998273742 /nfs/dbraw/zinc/27/37/42/998273742.db2.gz AAQMGKLRCRDOEV-LBPRGKRZSA-N -1 0 347.386 3.974 20 0 EHADRM COc1cc2c(cc1Cl)CN(Cc1ccc(C(=O)[O-])c(F)c1)CC2 ZINC001599464701 998337587 /nfs/dbraw/zinc/33/75/87/998337587.db2.gz JCBRWDMEDKPLPQ-UHFFFAOYSA-N -1 0 349.789 3.744 20 0 EHADRM COc1ccc(CN[C@@H](C(=O)[O-])c2c(F)cccc2Cl)cc1F ZINC001599572046 998381441 /nfs/dbraw/zinc/38/14/41/998381441.db2.gz NTHCGQZLBCGAIB-OAHLLOKOSA-N -1 0 341.741 3.542 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)Cc1cccc(Cl)c1 ZINC001599369551 998388150 /nfs/dbraw/zinc/38/81/50/998388150.db2.gz AMYVFCCEMRKDDC-LLVKDONJSA-N -1 0 347.798 3.864 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC001599370054 998394800 /nfs/dbraw/zinc/39/48/00/998394800.db2.gz FNMLNHXZUNPEQX-KBPBESRZSA-N -1 0 345.782 3.789 20 0 EHADRM COC[C@@H](C)CC(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001599158021 998407678 /nfs/dbraw/zinc/40/76/78/998407678.db2.gz FSFDFONSIWNAJW-JTQLQIEISA-N -1 0 345.848 3.518 20 0 EHADRM COc1ccc(CSCc2ccc(F)cc2C(=O)[O-])c(OC)c1 ZINC001599576698 998456076 /nfs/dbraw/zinc/45/60/76/998456076.db2.gz ULHPVNNEXQFHAX-UHFFFAOYSA-N -1 0 336.384 3.975 20 0 EHADRM COc1ccc(Cl)c(NC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c1 ZINC001599577162 998463573 /nfs/dbraw/zinc/46/35/73/998463573.db2.gz VJHJALDLGQCLBW-FZKQIMNGSA-N -1 0 345.782 3.546 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@H](C)c1ccc(Cl)cc1 ZINC001599377734 998515294 /nfs/dbraw/zinc/51/52/94/998515294.db2.gz MDQCRLVEHZQDNM-SNVBAGLBSA-N -1 0 334.755 3.756 20 0 EHADRM COC[C@@H](CS[C@@H](C)CC(=O)[O-])c1ccc(Br)cc1 ZINC001599164549 998518415 /nfs/dbraw/zinc/51/84/15/998518415.db2.gz JVVQAEXRCSPWNO-JQWIXIFHSA-N -1 0 347.274 3.776 20 0 EHADRM COc1ccc(Br)c(OC[C@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC001599476043 998532905 /nfs/dbraw/zinc/53/29/05/998532905.db2.gz WFOVKEPOSSLAQG-ZYHUDNBSSA-N -1 0 343.217 3.728 20 0 EHADRM COc1ccc(F)c(CN2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)c1 ZINC001599581257 998534635 /nfs/dbraw/zinc/53/46/35/998534635.db2.gz IOAYZRLDDFRQKA-ROUUACIJSA-N -1 0 329.371 3.625 20 0 EHADRM CC(C)Oc1ccc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000683330954 1016225469 /nfs/dbraw/zinc/22/54/69/1016225469.db2.gz ILFJRUUUPFUNOP-CQSZACIVSA-N -1 0 341.407 3.989 20 0 EHADRM Cc1cccc2[nH]cc(CCNC(=O)c3cc(F)c(F)c([O-])c3F)c21 ZINC000185851704 1016227065 /nfs/dbraw/zinc/22/70/65/1016227065.db2.gz APMOLCYYVVQZJW-UHFFFAOYSA-N -1 0 348.324 3.572 20 0 EHADRM C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001594172566 998662656 /nfs/dbraw/zinc/66/26/56/998662656.db2.gz FOIBBYMSXMMVHT-GZMMTYOYSA-N -1 0 348.296 3.719 20 0 EHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@@H]1Nc1ccccc1OCC(F)(F)F ZINC001594186525 998721340 /nfs/dbraw/zinc/72/13/40/998721340.db2.gz WIXZWWDBOYJWLL-UTUOFQBUSA-N -1 0 331.334 3.929 20 0 EHADRM Cc1ccc2cccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)c2n1 ZINC000340090124 1016249216 /nfs/dbraw/zinc/24/92/16/1016249216.db2.gz IDPRZWBQMPIXKA-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)C3CC(C(=O)[O-])C3)cn2)cc1C ZINC000683335968 1016249482 /nfs/dbraw/zinc/24/94/82/1016249482.db2.gz YVXIJGDJOZNTEA-UHFFFAOYSA-N -1 0 340.379 3.540 20 0 EHADRM C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc(C(=O)[O-])s1 ZINC001594214585 998826942 /nfs/dbraw/zinc/82/69/42/998826942.db2.gz LRPFUFYUAIOEHT-SFYZADRCSA-N -1 0 336.335 3.641 20 0 EHADRM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001594217527 998838596 /nfs/dbraw/zinc/83/85/96/998838596.db2.gz UWGXOWPOFQFKRR-COXVUDFISA-N -1 0 344.455 3.595 20 0 EHADRM C[C@@H]1C[C@H](CC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])CC(C)(C)C1 ZINC001594232073 998882936 /nfs/dbraw/zinc/88/29/36/998882936.db2.gz FMJJXGNDDNSPSS-UNEWFSDZSA-N -1 0 349.446 3.790 20 0 EHADRM C[C@@H]1C[C@H](CC(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)CC(C)(C)C1 ZINC001594232842 998888310 /nfs/dbraw/zinc/88/83/10/998888310.db2.gz SMTWHABHWYPCSF-CKEIUWERSA-N -1 0 345.439 3.718 20 0 EHADRM C[C@@H]1C[C@@H](CC(=O)Nc2cccc(OCC(=O)[O-])c2)CC(C)(C)C1 ZINC001594233708 998891176 /nfs/dbraw/zinc/89/11/76/998891176.db2.gz ZIGJCTISYXFHSO-KGLIPLIRSA-N -1 0 333.428 3.941 20 0 EHADRM C[C@H]1CC(F)(F)CCN1C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001594246033 998941248 /nfs/dbraw/zinc/94/12/48/998941248.db2.gz RWFKEJXWYXDRIH-LEWSCRJBSA-N -1 0 338.354 3.526 20 0 EHADRM C[C@@H]1C[C@H](NC(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CS1 ZINC001594257247 998989869 /nfs/dbraw/zinc/98/98/69/998989869.db2.gz FLEUSBXEHNRLSF-MNOVXSKESA-N -1 0 330.409 3.554 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000129301574 1016270744 /nfs/dbraw/zinc/27/07/44/1016270744.db2.gz QLNXHDSGVKLTRY-GFCCVEGCSA-N -1 0 340.354 3.692 20 0 EHADRM CO[C@@H](C(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21)C1CCCCC1 ZINC001599029042 999037209 /nfs/dbraw/zinc/03/72/09/999037209.db2.gz IDUROMPCENSHER-QZTJIDSGSA-N -1 0 346.423 3.901 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)N(C(=O)/C=C\c2cc(C(=O)[O-])co2)C1 ZINC001594269197 999040841 /nfs/dbraw/zinc/04/08/41/999040841.db2.gz GSNYVIAYYRPTAA-WUXGLAHWSA-N -1 0 325.364 3.601 20 0 EHADRM CO[C@H](C)c1nsc(N[C@@H](CCC(=O)[O-])CC2CCCCC2)n1 ZINC001599042048 999124453 /nfs/dbraw/zinc/12/44/53/999124453.db2.gz IDNHDNKPWPLAPH-YPMHNXCESA-N -1 0 341.477 3.861 20 0 EHADRM C[C@H]1CC/C(=C\C(=O)Oc2cc(Br)cc(C(=O)[O-])c2)C1 ZINC001594292815 999129424 /nfs/dbraw/zinc/12/94/24/999129424.db2.gz UJEKCXOQEDFDDD-UMYFRRCYSA-N -1 0 339.185 3.799 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001594293590 999133064 /nfs/dbraw/zinc/13/30/64/999133064.db2.gz WRPZOZGVBSLOCU-WWGRRREGSA-N -1 0 345.443 3.636 20 0 EHADRM C[C@@H]1CC[C@@](C)(/C=C/C(=O)Nc2cccc(CC(=O)[O-])n2)C1(C)C ZINC001594295649 999138190 /nfs/dbraw/zinc/13/81/90/999138190.db2.gz FXVJFQNDQUAOBL-XRJHSEENSA-N -1 0 330.428 3.666 20 0 EHADRM CO[C@@H]([C@H](C)NC(=O)Nc1cccc2cc(C(=O)[O-])sc21)C1CC1 ZINC001599044587 999142217 /nfs/dbraw/zinc/14/22/17/999142217.db2.gz ZTDQEDMKXFCLRX-XPTSAGLGSA-N -1 0 348.424 3.535 20 0 EHADRM C[C@@H]1CC[C@@H](CC(=O)N[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)C1 ZINC001594303210 999173291 /nfs/dbraw/zinc/17/32/91/999173291.db2.gz WNBHFGREKLYVIE-UEKVPHQBSA-N -1 0 343.345 3.774 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)[C@@H](C)C1 ZINC001594314121 999212441 /nfs/dbraw/zinc/21/24/41/999212441.db2.gz OICCNLXKAOEBRO-FXSNYSBCSA-N -1 0 330.428 3.821 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])[C@H](C)C1 ZINC001594314471 999216896 /nfs/dbraw/zinc/21/68/96/999216896.db2.gz QDYJDGNLTPDLBJ-TXCZRRACSA-N -1 0 346.471 3.962 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)C=C(C2CC2)C2CC2)(C(=O)[O-])c2ccccc21 ZINC001594314868 999218636 /nfs/dbraw/zinc/21/86/36/999218636.db2.gz SRNUMUMMPCKESC-ZSEKCTLFSA-N -1 0 339.435 3.726 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)C2C(C)(C)C2(C)C)(C(=O)[O-])c2ccccc21 ZINC001594318435 999226005 /nfs/dbraw/zinc/22/60/05/999226005.db2.gz GJOXDPAKKWPNOY-YUNKPMOVSA-N -1 0 329.440 3.662 20 0 EHADRM C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC001594329641 999266715 /nfs/dbraw/zinc/26/67/15/999266715.db2.gz BYPDFNNOUVONPE-DYVFJYSZSA-N -1 0 339.395 3.785 20 0 EHADRM C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)Nc2cc(C(=O)[O-])n(C)c2)C1 ZINC001594329757 999267119 /nfs/dbraw/zinc/26/71/19/999267119.db2.gz DKDKSBWPNOOUPB-BBRMVZONSA-N -1 0 341.411 3.728 20 0 EHADRM CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001599063889 999285328 /nfs/dbraw/zinc/28/53/28/999285328.db2.gz OCXGRTHJMFOZLW-BDJLRTHQSA-N -1 0 347.798 3.544 20 0 EHADRM C[C@@H]1CCC[C@H](C)CN1C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001594343867 999299971 /nfs/dbraw/zinc/29/99/71/999299971.db2.gz SYAAEKAAWPFYGI-UWWPHRKUSA-N -1 0 330.428 3.917 20 0 EHADRM C[C@H]1CCC[C@H](OCCCCCC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])C1 ZINC001594354217 999338195 /nfs/dbraw/zinc/33/81/95/999338195.db2.gz AODPSOWMBNMGPX-NXOAAHMSSA-N -1 0 339.476 3.512 20 0 EHADRM C[C@@H]1CCC[C@H]1CC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC001594356965 999349630 /nfs/dbraw/zinc/34/96/30/999349630.db2.gz HABGFNBNGUUAFJ-OLZOCXBDSA-N -1 0 340.423 3.577 20 0 EHADRM C[C@H]1CCCC[C@H]1CCNC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001594363321 999371348 /nfs/dbraw/zinc/37/13/48/999371348.db2.gz CUEPABIFWIYFLC-STQMWFEESA-N -1 0 336.407 3.540 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CNC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001594366594 999385683 /nfs/dbraw/zinc/38/56/83/999385683.db2.gz LOVFPCGHAHTXGH-VXGBXAGGSA-N -1 0 329.400 3.814 20 0 EHADRM C[C@H]1CCCC[C@H]1OCC(=O)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001594370810 999398154 /nfs/dbraw/zinc/39/81/54/999398154.db2.gz MJHBLBGVGLOTNV-IINYFYTJSA-N -1 0 326.776 3.539 20 0 EHADRM C[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])nc2)c2ccccc21 ZINC001594379194 999430108 /nfs/dbraw/zinc/43/01/08/999430108.db2.gz UZMNTUGBYOQVFW-GFCCVEGCSA-N -1 0 325.368 3.716 20 0 EHADRM C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)c1ccc(C(=O)[O-])s1 ZINC001594388849 999472630 /nfs/dbraw/zinc/47/26/30/999472630.db2.gz OIFGDWVIXOZGIU-MEDUHNTESA-N -1 0 329.421 3.890 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)C[C@@H]1C ZINC001594402780 999509605 /nfs/dbraw/zinc/50/96/05/999509605.db2.gz INRUMDKCMAXVSV-BDAKNGLRSA-N -1 0 328.771 3.687 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2)[C@H](c2ccco2)C1 ZINC001594404056 999513380 /nfs/dbraw/zinc/51/33/80/999513380.db2.gz XTVJUWKIAVGCEO-WFASDCNBSA-N -1 0 328.368 3.983 20 0 EHADRM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001594446011 999638989 /nfs/dbraw/zinc/63/89/89/999638989.db2.gz TVGNMABTGRPTGG-APPDUMDISA-N -1 0 342.370 3.969 20 0 EHADRM C[C@@H]1CCc2[nH]nc(C(=O)Nc3cc4ccccc4c(C(=O)[O-])c3)c2C1 ZINC001594448140 999643422 /nfs/dbraw/zinc/64/34/22/999643422.db2.gz PNXRZKIJNUGGPR-LLVKDONJSA-N -1 0 349.390 3.638 20 0 EHADRM C[C@H]1CCc2[nH]nc(C(=O)Nc3cc4ccccc4c(C(=O)[O-])c3)c2C1 ZINC001594448141 999643577 /nfs/dbraw/zinc/64/35/77/999643577.db2.gz PNXRZKIJNUGGPR-NSHDSACASA-N -1 0 349.390 3.638 20 0 EHADRM C[C@H]1CN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])CC(C)(C)C1 ZINC001594470031 999699978 /nfs/dbraw/zinc/69/99/78/999699978.db2.gz AAVRLUSZIYODOB-ZBFHGGJFSA-N -1 0 346.471 3.916 20 0 EHADRM Cc1cc(CN(C)Cc2ccccc2Br)oc1C(=O)[O-] ZINC000048892612 1016461952 /nfs/dbraw/zinc/46/19/52/1016461952.db2.gz QOCMGQBCXYRACM-UHFFFAOYSA-N -1 0 338.201 3.681 20 0 EHADRM CCc1oc(C(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)cc1C ZINC000471280860 1016537935 /nfs/dbraw/zinc/53/79/35/1016537935.db2.gz ZQPCVJKGTHDXGP-UHFFFAOYSA-N -1 0 347.827 3.997 20 0 EHADRM C[C@@H]1C[C@H](C)[C@H](C(=O)Nc2cc(Br)cc(Cl)c2[O-])O1 ZINC000407966425 1016539241 /nfs/dbraw/zinc/53/92/41/1016539241.db2.gz PHPWKTYGHMYYDB-QRPMWFLTSA-N -1 0 348.624 3.560 20 0 EHADRM Cc1ccc(-c2cccc(CNC(=O)[C@@H]3CC[C@H](C(=O)[O-])C3)c2)cc1 ZINC000653291940 1016580892 /nfs/dbraw/zinc/58/08/92/1016580892.db2.gz GSFPWXQALSRDAB-MOPGFXCFSA-N -1 0 337.419 3.779 20 0 EHADRM COc1cc(C(F)(F)F)ccc1Nc1cccc(S(=O)(=O)[O-])c1 ZINC001209884217 1016638382 /nfs/dbraw/zinc/63/83/82/1016638382.db2.gz OJVRQHJLIBFVFG-UHFFFAOYSA-N -1 0 347.314 3.704 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)c2cccc(Cl)c2)c(C)s1 ZINC000049501713 1016733695 /nfs/dbraw/zinc/73/36/95/1016733695.db2.gz KZSVNDOHHUATHN-UHFFFAOYSA-N -1 0 329.830 3.712 20 0 EHADRM CC(C(=O)N(Cc1ccccc1)C(C)C)=S([O-])c1cccs1 ZINC000179016632 1016839758 /nfs/dbraw/zinc/83/97/58/1016839758.db2.gz XNMGLUHQZGMWSH-FPTDNZKUSA-N -1 0 335.494 3.681 20 0 EHADRM COCCOc1ccc(NCc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC000237165298 1016842067 /nfs/dbraw/zinc/84/20/67/1016842067.db2.gz DCZPFYUOZKKMHF-UHFFFAOYSA-N -1 0 343.210 3.731 20 0 EHADRM C[C@H](CNC(=O)c1cc(F)c([O-])c(F)c1)Oc1ccccc1Cl ZINC000180080731 1016885736 /nfs/dbraw/zinc/88/57/36/1016885736.db2.gz HPZLNNUMSADOEI-SECBINFHSA-N -1 0 341.741 3.521 20 0 EHADRM CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(O)cc2F)cc1 ZINC000181100799 1016915643 /nfs/dbraw/zinc/91/56/43/1016915643.db2.gz JWKGLYPKPMOCKB-UHFFFAOYSA-N -1 0 330.359 3.768 20 0 EHADRM C[C@@H](NC(=O)Cc1csc2ccccc12)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655583045 1016928382 /nfs/dbraw/zinc/92/83/82/1016928382.db2.gz VBYLKMVQMFMULT-BYCMXARLSA-N -1 0 345.464 3.695 20 0 EHADRM Cc1cc(NC(=O)C2CCC(C(=O)[O-])CC2)ccc1C(F)(F)F ZINC000659758566 1016980007 /nfs/dbraw/zinc/98/00/07/1016980007.db2.gz GAYUJQFLRSWSQD-UHFFFAOYSA-N -1 0 329.318 3.843 20 0 EHADRM CCN(C(=O)c1ccc(O[C@@H](C)c2ccccc2)cc1)[C@@H](C)C(=O)[O-] ZINC000659769715 1016983896 /nfs/dbraw/zinc/98/38/96/1016983896.db2.gz KCVGEBSJSYATGR-GJZGRUSLSA-N -1 0 341.407 3.762 20 0 EHADRM O=C([O-])CCN(Cc1noc(C2CCCCC2)n1)Cc1ccccc1 ZINC000659790021 1017019234 /nfs/dbraw/zinc/01/92/34/1017019234.db2.gz LFPKXSPUSARBRS-UHFFFAOYSA-N -1 0 343.427 3.594 20 0 EHADRM Cc1nc([C@H](C)NC(=O)[C@H](c2ccccc2)C(C)C)sc1C(=O)[O-] ZINC000236619771 1017022395 /nfs/dbraw/zinc/02/23/95/1017022395.db2.gz DVLOOGUGCFUNNE-JSGCOSHPSA-N -1 0 346.452 3.767 20 0 EHADRM CO[C@@H](COc1ccc(-c2n[n-]c(=N)o2)cc1)c1ccc(Cl)cc1 ZINC000461040093 1032223896 /nfs/dbraw/zinc/22/38/96/1032223896.db2.gz ANWXVHVJMMTPSN-HNNXBMFYSA-N -1 0 345.786 3.569 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000184019453 1032224744 /nfs/dbraw/zinc/22/47/44/1032224744.db2.gz SYBUFDLVEFQUEO-VIFPVBQESA-N -1 0 339.288 3.578 20 0 EHADRM CC(C)CN(C)c1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000449137517 1032233572 /nfs/dbraw/zinc/23/35/72/1032233572.db2.gz FXOPHGWSTUCPMB-GOSISDBHSA-N -1 0 346.471 3.638 20 0 EHADRM CC(C)Oc1ccc(-c2csc(C3(C(=O)[O-])CCOCC3)n2)cc1 ZINC000905002308 1032316719 /nfs/dbraw/zinc/31/67/19/1032316719.db2.gz GLWLPXYKJXTKNN-UHFFFAOYSA-N -1 0 347.436 3.730 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)N[C@@H]1CCc2cccc3cccc1c32)C(=O)[O-] ZINC000905126489 1032356117 /nfs/dbraw/zinc/35/61/17/1032356117.db2.gz PLIFWKLNUHCTMD-MQIPJXDCSA-N -1 0 343.448 3.538 20 0 EHADRM CC(C)(C)OCc1ccccc1NC(=O)C(C)(C)SCC(=O)[O-] ZINC000905131738 1032357647 /nfs/dbraw/zinc/35/76/47/1032357647.db2.gz UTKBQDZVYJCJAD-UHFFFAOYSA-N -1 0 339.457 3.537 20 0 EHADRM O=C([O-])[C@H](CC(F)(F)F)NC(=O)c1ccc(C2CCCCC2)cc1 ZINC000262957961 1032363879 /nfs/dbraw/zinc/36/38/79/1032363879.db2.gz LTNNRRMKXZPDOF-AWEZNQCLSA-N -1 0 343.345 3.870 20 0 EHADRM CCCc1cnc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)s1 ZINC000538453449 1032380890 /nfs/dbraw/zinc/38/08/90/1032380890.db2.gz PNZRLKVANDADOV-UHFFFAOYSA-N -1 0 328.434 3.652 20 0 EHADRM CCC(CC)(CNC(=O)CCc1ccc2ccccc2c1)C(=O)[O-] ZINC000538465589 1032391021 /nfs/dbraw/zinc/39/10/21/1032391021.db2.gz GYHLQCAJCCAJFM-UHFFFAOYSA-N -1 0 327.424 3.780 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(Cc3ccccc3)ccc2O)o1 ZINC000536895284 1032404888 /nfs/dbraw/zinc/40/48/88/1032404888.db2.gz AAFBRMPUGFYIPA-UHFFFAOYSA-N -1 0 343.404 3.685 20 0 EHADRM Cc1c(CSC(C)C)cccc1NC(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000262997345 1032407740 /nfs/dbraw/zinc/40/77/40/1032407740.db2.gz FNMLEJGRNBZYEM-LBPRGKRZSA-N -1 0 338.473 3.821 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)c2cc3cccnc3s2)s1 ZINC000449260055 1032408464 /nfs/dbraw/zinc/40/84/64/1032408464.db2.gz WAFRYGCIWOJXPI-UHFFFAOYSA-N -1 0 332.454 3.555 20 0 EHADRM C[N@H+](CCCC(=O)[O-])Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000414637351 1017086332 /nfs/dbraw/zinc/08/63/32/1017086332.db2.gz LWTGKWDWCDQUQC-UHFFFAOYSA-N -1 0 343.471 3.526 20 0 EHADRM CCOc1ccc(OCC)c(NC(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000183329331 1017285001 /nfs/dbraw/zinc/28/50/01/1017285001.db2.gz UNMVABUREBBPFZ-UHFFFAOYSA-N -1 0 337.322 3.720 20 0 EHADRM CC(C)n1nc(-c2ccco2)cc1[N-]S(=O)(=O)c1cccs1 ZINC000433167031 1032472468 /nfs/dbraw/zinc/47/24/68/1032472468.db2.gz MITUDUSTAJZKGI-UHFFFAOYSA-N -1 0 337.426 3.586 20 0 EHADRM O=C([O-])CCCCCNC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000414630448 1017091639 /nfs/dbraw/zinc/09/16/39/1017091639.db2.gz TZORPCYPGSJCRN-HNNXBMFYSA-N -1 0 338.835 3.832 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)NCCCCCC(=O)[O-])C2CC2)o1 ZINC000414632730 1017094051 /nfs/dbraw/zinc/09/40/51/1017094051.db2.gz YQVPXOQKKBHTPL-CJNGLKHVSA-N -1 0 348.443 3.722 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000170534399 1032524933 /nfs/dbraw/zinc/52/49/33/1032524933.db2.gz HKSBJFBSBYOLPK-UHFFFAOYSA-N -1 0 331.371 3.982 20 0 EHADRM CC(C)[C@@H](NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000601990382 1032583972 /nfs/dbraw/zinc/58/39/72/1032583972.db2.gz ZBXBFMANTQRBLJ-UHIISALHSA-N -1 0 343.876 3.748 20 0 EHADRM CCC[C@H](NC(=O)[C@H](C)S[C@H](C)C(=O)[O-])c1ccc(F)cc1F ZINC000601991931 1032585293 /nfs/dbraw/zinc/58/52/93/1032585293.db2.gz QJYFIOGPBBMNNS-RBZYPMLTSA-N -1 0 345.411 3.517 20 0 EHADRM Cc1cc(NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])cc(C(F)(F)F)c1 ZINC000601994377 1032585382 /nfs/dbraw/zinc/58/53/82/1032585382.db2.gz VFIVTGHUHHCMMW-IUCAKERBSA-N -1 0 335.347 3.547 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000601997606 1032586343 /nfs/dbraw/zinc/58/63/43/1032586343.db2.gz SLVBZQGWUQZNGC-UHIISALHSA-N -1 0 341.860 3.598 20 0 EHADRM C[C@H](CC(=O)N=c1ccc(C2CC2)n[n-]1)c1cccc(C(F)(F)F)c1 ZINC000606201029 1032603782 /nfs/dbraw/zinc/60/37/82/1032603782.db2.gz GIXRFIUWRUGDME-LLVKDONJSA-N -1 0 349.356 3.927 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cc(C)c(C)s2)cc1F ZINC000091014743 1032616253 /nfs/dbraw/zinc/61/62/53/1032616253.db2.gz WJBBVXYHPNAIPN-UHFFFAOYSA-N -1 0 329.418 3.704 20 0 EHADRM COCC[C@H](Cc1cccc(-c2ccc(C(C)=O)cc2)c1)C(=O)[O-] ZINC000515339797 1032631590 /nfs/dbraw/zinc/63/15/90/1032631590.db2.gz VAEIGXRXDLMAIZ-LJQANCHMSA-N -1 0 326.392 3.836 20 0 EHADRM CCC(CC)(CC)C(=O)[N-]S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000761237134 1032679990 /nfs/dbraw/zinc/67/99/90/1032679990.db2.gz UUGPZSIXZCLBKR-UHFFFAOYSA-N -1 0 331.865 3.670 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NCc2ncc(C(C)C)s2)cc1 ZINC000669470493 1032691151 /nfs/dbraw/zinc/69/11/51/1032691151.db2.gz KQRNIXKQVDESJS-AWEZNQCLSA-N -1 0 334.441 3.581 20 0 EHADRM COc1ccc(C2(NC(=O)c3cc(F)c([O-])c(F)c3)CCCC2)cc1 ZINC000183533916 1017341197 /nfs/dbraw/zinc/34/11/97/1017341197.db2.gz DCIFLRDPCACQEC-UHFFFAOYSA-N -1 0 347.361 3.878 20 0 EHADRM CCc1oc2ccccc2c1CN=c1[n-]nc(CC(F)(F)F)s1 ZINC000537394601 1032693339 /nfs/dbraw/zinc/69/33/39/1032693339.db2.gz OLGLIYXEQJOEKK-UHFFFAOYSA-N -1 0 341.358 3.986 20 0 EHADRM COc1ccc(CCc2n[n-]c(=NCc3cccc(C)c3C)o2)cc1 ZINC000537405083 1032708442 /nfs/dbraw/zinc/70/84/42/1032708442.db2.gz ZTVAEEUHTJFVDH-UHFFFAOYSA-N -1 0 337.423 3.514 20 0 EHADRM COc1ccc2c(ccn2Cc2nc(-c3ccc(O)c(F)c3)no2)c1 ZINC000683592476 1017571108 /nfs/dbraw/zinc/57/11/08/1017571108.db2.gz DIEXWMSKKIXSFC-UHFFFAOYSA-N -1 0 339.326 3.593 20 0 EHADRM COc1cc(SC)ccc1NC(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000683617782 1017716603 /nfs/dbraw/zinc/71/66/03/1017716603.db2.gz FELUGZQTTDNOEO-CQSZACIVSA-N -1 0 345.420 3.614 20 0 EHADRM C[C@@H](NC(=O)NC[C@H](C)C(=O)[O-])c1ccc(Cl)c2ccccc21 ZINC000655874410 1017831777 /nfs/dbraw/zinc/83/17/77/1017831777.db2.gz OUPPKWCKEMEVRK-WDEREUQCSA-N -1 0 334.803 3.574 20 0 EHADRM Cc1cccc([C@@H](C)CNC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000655869925 1017832883 /nfs/dbraw/zinc/83/28/83/1017832883.db2.gz SOGUMVQKZYRAQK-HDEZJCGLSA-N -1 0 346.471 3.533 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N2CCC[C@H]2c2cccs2)cc1 ZINC000377459049 1017843738 /nfs/dbraw/zinc/84/37/38/1017843738.db2.gz RGJLCULNRPDDPV-VSGCLNPGSA-N -1 0 327.405 3.823 20 0 EHADRM CCC[C@H](C)[C@@H]1CCCN1C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655902870 1017885667 /nfs/dbraw/zinc/88/56/67/1017885667.db2.gz VNHKBTPLLNUDCS-NPJQDHAYSA-N -1 0 338.492 3.732 20 0 EHADRM O=C(c1cc(O)ccc1Cl)N1CCC[C@H](Nc2ccccc2)C1 ZINC000431848233 1018096059 /nfs/dbraw/zinc/09/60/59/1018096059.db2.gz NUIRGILNBYUHNW-AWEZNQCLSA-N -1 0 330.815 3.762 20 0 EHADRM CC(C)n1ncc2cc(NC(=O)c3cc(F)cc(Cl)c3[O-])cnc21 ZINC000580026976 1018192855 /nfs/dbraw/zinc/19/28/55/1018192855.db2.gz GFYGZFAVLPLTBD-UHFFFAOYSA-N -1 0 348.765 3.763 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(-c2ccco2)cc1F ZINC000683729046 1018221699 /nfs/dbraw/zinc/22/16/99/1018221699.db2.gz UIIATUIJJAUCEF-OLZOCXBDSA-N -1 0 329.327 3.691 20 0 EHADRM Cc1ccc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)cc1OC(C)C ZINC000683728700 1018224919 /nfs/dbraw/zinc/22/49/19/1018224919.db2.gz ICPFVZJXCXGUFQ-QGZVFWFLSA-N -1 0 341.407 3.979 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2c[nH]c(C(C)C)n2)cccc1C(F)(F)F ZINC000122230507 1018301725 /nfs/dbraw/zinc/30/17/25/1018301725.db2.gz AAEQZDBJTCCWDX-UHFFFAOYSA-N -1 0 347.362 3.661 20 0 EHADRM C[C@@H]1c2ccc(F)cc2CCN1C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000606571551 1032755475 /nfs/dbraw/zinc/75/54/75/1032755475.db2.gz DUFNRKCDJWRQLU-SNVBAGLBSA-N -1 0 348.447 3.548 20 0 EHADRM Cc1nn(-c2ccccc2)cc1CN=c1[n-]nc(-c2ccccc2C)o1 ZINC000340557298 1018428332 /nfs/dbraw/zinc/42/83/32/1018428332.db2.gz MJHMDULVXGTBDN-UHFFFAOYSA-N -1 0 345.406 3.573 20 0 EHADRM CC(C)COc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC000013225428 1018442561 /nfs/dbraw/zinc/44/25/61/1018442561.db2.gz FUZVILFOPYPJTN-SZMVWBNQSA-N -1 0 345.439 3.579 20 0 EHADRM C[C@H](N=c1[n-]c(C2CCOCC2)no1)c1cc(Cl)ccc1Cl ZINC000564425740 1018656556 /nfs/dbraw/zinc/65/65/56/1018656556.db2.gz URCFZFDSGAPRTQ-VIFPVBQESA-N -1 0 342.226 3.865 20 0 EHADRM Cc1nnc([C@@H](C)Sc2n[n-]c(=NCc3ccccc3)s2)s1 ZINC000340606933 1018679177 /nfs/dbraw/zinc/67/91/77/1018679177.db2.gz PZPOBTILYVVQKU-SECBINFHSA-N -1 0 349.510 3.585 20 0 EHADRM Cc1nnc([C@H](C)Sc2n[n-]c(=NCc3ccccc3)s2)s1 ZINC000340606943 1018679253 /nfs/dbraw/zinc/67/92/53/1018679253.db2.gz PZPOBTILYVVQKU-VIFPVBQESA-N -1 0 349.510 3.585 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)N(C)C1(C(=O)[O-])CCCC1 ZINC000580150034 1018709337 /nfs/dbraw/zinc/70/93/37/1018709337.db2.gz ULQWNAAINBWLCE-HNNXBMFYSA-N -1 0 346.471 3.782 20 0 EHADRM COC[C@H](NC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1)c1ccccc1 ZINC000237069182 1018965764 /nfs/dbraw/zinc/96/57/64/1018965764.db2.gz ZCKTVNRGJVARIX-PXNSSMCTSA-N -1 0 347.455 3.552 20 0 EHADRM O=S(=O)([N-]c1nccc2sccc21)c1cc(Cl)ccc1F ZINC000340633774 1019025110 /nfs/dbraw/zinc/02/51/10/1019025110.db2.gz MQARKHQVEAJDJH-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM CCc1nc(C)c([N-]S(=O)(=O)c2c(C)n(C)c3ccccc32)s1 ZINC000340635480 1019036286 /nfs/dbraw/zinc/03/62/86/1019036286.db2.gz LPOLDKFSNZUYGW-UHFFFAOYSA-N -1 0 349.481 3.615 20 0 EHADRM Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3c([O-])cc(F)cc3F)C2)cc1 ZINC000683890922 1019110485 /nfs/dbraw/zinc/11/04/85/1019110485.db2.gz RENGDKCGJQQLFU-JSGCOSHPSA-N -1 0 331.362 3.997 20 0 EHADRM Cc1nc(C)c(CN[C@@]2(C(=O)[O-])C[C@@H](C(C)C)c3ccccc32)s1 ZINC000340672461 1019145612 /nfs/dbraw/zinc/14/56/12/1019145612.db2.gz AECGKDUPJZLQJN-KXBFYZLASA-N -1 0 344.480 3.973 20 0 EHADRM CC(C)COc1cccc(NC(=O)N2CCCCC[C@@H]2C(=O)[O-])c1 ZINC000683922701 1019256926 /nfs/dbraw/zinc/25/69/26/1019256926.db2.gz UNHBPIDCXMEDCB-MRXNPFEDSA-N -1 0 334.416 3.583 20 0 EHADRM O=C([N-]S(=O)(=O)c1cccs1)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000050204583 1019263858 /nfs/dbraw/zinc/26/38/58/1019263858.db2.gz AGWULANNXFZOFW-NWDGAFQWSA-N -1 0 341.841 3.850 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C)c2O)cc1C(C)C ZINC000683924433 1019270193 /nfs/dbraw/zinc/27/01/93/1019270193.db2.gz KZZVQZYRUFCYMM-UHFFFAOYSA-N -1 0 349.452 3.942 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)[C@@]23C[C@@H]2CCC3)cc1 ZINC000580420953 1019344424 /nfs/dbraw/zinc/34/44/24/1019344424.db2.gz MYZHJGDXZJQAFR-FTRWYGJKSA-N -1 0 329.440 3.806 20 0 EHADRM C[C@H]1CC[C@H](c2ccccc2)N(C(=O)N=c2[n-]nc(C3CC3)s2)C1 ZINC000580460900 1019405275 /nfs/dbraw/zinc/40/52/75/1019405275.db2.gz PFSQAGXDERUXKF-SWLSCSKDSA-N -1 0 342.468 3.843 20 0 EHADRM FC(F)(F)[C@H](C[C@H]1CCCO1)[N-]c1nc(-c2ccccc2)no1 ZINC000656224445 1019421260 /nfs/dbraw/zinc/42/12/60/1019421260.db2.gz IVNHPERIFSJYHU-NEPJUHHUSA-N -1 0 327.306 3.649 20 0 EHADRM Cc1csc([C@@H](C)NC(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)n1 ZINC000340698007 1019443628 /nfs/dbraw/zinc/44/36/28/1019443628.db2.gz OKWCQOCIHXMSDV-PXAZEXFGSA-N -1 0 338.473 3.690 20 0 EHADRM CO[C@H](C)c1nc(=NC[C@@H](C)c2ccc(C(F)(F)F)cc2)s[n-]1 ZINC000509924389 1019449360 /nfs/dbraw/zinc/44/93/60/1019449360.db2.gz IERWMQSFPONZLG-NXEZZACHSA-N -1 0 345.390 3.902 20 0 EHADRM O=C([O-])COc1cccc(CNC(=O)CCC2CCCCCC2)c1 ZINC000656235338 1019497670 /nfs/dbraw/zinc/49/76/70/1019497670.db2.gz IGUILRBZOBPODJ-UHFFFAOYSA-N -1 0 333.428 3.517 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)C[C@@H]2OCc3ccccc32)cc1)C(=O)[O-] ZINC000656238123 1019511470 /nfs/dbraw/zinc/51/14/70/1019511470.db2.gz JPCZCSJKIOZGSX-ACJLOTCBSA-N -1 0 339.391 3.550 20 0 EHADRM CC[C@H](NC(=O)N(C)C1(C(=O)[O-])CCCC1)c1ccc(Cl)cc1 ZINC000580509275 1019524197 /nfs/dbraw/zinc/52/41/97/1019524197.db2.gz RPCGQHZFJGNZKI-AWEZNQCLSA-N -1 0 338.835 3.830 20 0 EHADRM Cc1ccc(Oc2ccccc2)c(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])c1 ZINC000262150490 1019550607 /nfs/dbraw/zinc/55/06/07/1019550607.db2.gz PDOSPEKIUAHAPZ-LSDHHAIUSA-N -1 0 325.364 3.837 20 0 EHADRM CCc1nc(=N[C@H](COCc2ccccc2)c2ccccc2)s[n-]1 ZINC000433772599 1019588733 /nfs/dbraw/zinc/58/87/33/1019588733.db2.gz AYCOEBNZHKEADL-QGZVFWFLSA-N -1 0 339.464 3.892 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)c2cc(C(=O)[O-])co2)cc1F ZINC000656249474 1019612307 /nfs/dbraw/zinc/61/23/07/1019612307.db2.gz XCJXXEOATTZQEN-UHFFFAOYSA-N -1 0 335.331 3.794 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CCCOCc1ccccc1 ZINC000262521499 1019655014 /nfs/dbraw/zinc/65/50/14/1019655014.db2.gz QQHFOIWHDPRXNP-UHFFFAOYSA-N -1 0 327.380 3.629 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)c1F ZINC000513438031 1019671145 /nfs/dbraw/zinc/67/11/45/1019671145.db2.gz POHFQLDUJGLZFA-UHFFFAOYSA-N -1 0 330.384 3.930 20 0 EHADRM Cc1cc(C(=O)N[C@H](C)[C@H](C)C(=O)[O-])sc1-c1ccc(F)cc1 ZINC000263482446 1019671841 /nfs/dbraw/zinc/67/18/41/1019671841.db2.gz UWBOTIHBXIEBKA-WDEREUQCSA-N -1 0 335.400 3.702 20 0 EHADRM C[C@@H]1CC[C@@]2(CCN(C(=O)N=c3nc(-c4ccccc4)[n-]s3)C2)C1 ZINC000513453286 1019701091 /nfs/dbraw/zinc/70/10/91/1019701091.db2.gz TXBMEZOLWJZKKC-FZKQIMNGSA-N -1 0 342.468 3.671 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC[C@@H]1C(=O)[O-])c1ccc(Cl)c2ccccc21 ZINC000262816771 1019738850 /nfs/dbraw/zinc/73/88/50/1019738850.db2.gz BIPRJUPQEBKCHO-LKTVYLICSA-N -1 0 331.799 3.781 20 0 EHADRM CC[C@@H](CC(=O)N(C)c1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000262886189 1019757502 /nfs/dbraw/zinc/75/75/02/1019757502.db2.gz CAEOOVLHBXUMIV-HNNXBMFYSA-N -1 0 341.407 3.697 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(Oc3ccccc3)o2)C1 ZINC000262994871 1019784021 /nfs/dbraw/zinc/78/40/21/1019784021.db2.gz OKJPJGPFEUMBIY-LJQANCHMSA-N -1 0 343.379 3.645 20 0 EHADRM Cc1cc(F)c(S(=O)(=O)[N-]c2nc3ccsc3s2)cc1F ZINC000476099385 1032853378 /nfs/dbraw/zinc/85/33/78/1032853378.db2.gz NNLFXHIVVMITFE-UHFFFAOYSA-N -1 0 346.405 3.745 20 0 EHADRM Cc1oc(-c2ccccc2)c(C(=O)N2CCC[C@@H]2CC(=O)[O-])c1C ZINC000263068041 1019807614 /nfs/dbraw/zinc/80/76/14/1019807614.db2.gz XXYJGUUIRPUGDY-OAHLLOKOSA-N -1 0 327.380 3.643 20 0 EHADRM O=C(N=c1nc(-c2cccc(Cl)c2)[n-]s1)c1ccoc1Cl ZINC000433986176 1019842960 /nfs/dbraw/zinc/84/29/60/1019842960.db2.gz QVYNPCYPXBYBHS-UHFFFAOYSA-N -1 0 340.191 3.779 20 0 EHADRM CC1(C)[C@@H]2CN(C(=O)c3ccccc3-c3ccccc3C(=O)[O-])C[C@@H]21 ZINC000263404309 1019898688 /nfs/dbraw/zinc/89/86/88/1019898688.db2.gz HIWARELBFCNPRI-HDICACEKSA-N -1 0 335.403 3.780 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000263526566 1019924402 /nfs/dbraw/zinc/92/44/02/1019924402.db2.gz KEISTTKIXXSCLD-NNIGNNQHSA-N -1 0 341.451 3.672 20 0 EHADRM FC(F)(F)c1n[n-]c(=N[C@H]2CCOc3c(Cl)cccc32)s1 ZINC000580749264 1019964832 /nfs/dbraw/zinc/96/48/32/1019964832.db2.gz GKWHKDPXQKGNOC-QMMMGPOBSA-N -1 0 335.738 3.568 20 0 EHADRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(C)oc2C)c1C1CC1 ZINC000345127870 1019983401 /nfs/dbraw/zinc/98/34/01/1019983401.db2.gz UQRUFIJIOMZZIB-JTQLQIEISA-N -1 0 337.445 3.742 20 0 EHADRM Cc1cc([C@H](N=c2nc(C(F)(F)F)[n-]s2)C2CC2)ccc1F ZINC000557626109 1020005206 /nfs/dbraw/zinc/00/52/06/1020005206.db2.gz OMHGFUPIBXRHRU-LLVKDONJSA-N -1 0 331.338 3.990 20 0 EHADRM CCCC[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC000345206757 1020059827 /nfs/dbraw/zinc/05/98/27/1020059827.db2.gz HSMBHCKUVXOGBM-KRWDZBQOSA-N -1 0 327.380 3.852 20 0 EHADRM CCC[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000728310605 1020226811 /nfs/dbraw/zinc/22/68/11/1020226811.db2.gz OURCHIMTUWHLLM-BXUZGUMPSA-N -1 0 345.468 3.713 20 0 EHADRM O=C([O-])c1ccc(-c2cc(F)ccc2OC[C@H]2CCCCO2)nc1 ZINC000581022954 1020363341 /nfs/dbraw/zinc/36/33/41/1020363341.db2.gz PIXFNEGLHJUCOT-CQSZACIVSA-N -1 0 331.343 3.534 20 0 EHADRM COC(=O)c1nc2ccccc2cc1Nc1ccc(C(=O)[O-])cc1C ZINC001211620737 1032897120 /nfs/dbraw/zinc/89/71/20/1032897120.db2.gz DOJANRROACNZIL-UHFFFAOYSA-N -1 0 336.347 3.772 20 0 EHADRM CC[C@@H](C)n1ncc(C(=O)Nc2cc(Cl)c([O-])cc2F)c1C ZINC000345621037 1020414630 /nfs/dbraw/zinc/41/46/30/1020414630.db2.gz JAVGTISSJXNKNT-MRVPVSSYSA-N -1 0 325.771 3.913 20 0 EHADRM Cc1ccn(-c2ccccc2[N-]S(=O)(=O)c2cccc(Cl)c2)n1 ZINC000345670701 1020419528 /nfs/dbraw/zinc/41/95/28/1020419528.db2.gz ANCSPGLOIFYKEX-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM O=C(Cc1cnc2ccccc2c1)Nc1cc(Cl)c([O-])cc1F ZINC000345697590 1020439228 /nfs/dbraw/zinc/43/92/28/1020439228.db2.gz DRZPJKBQVDBAOP-UHFFFAOYSA-N -1 0 330.746 3.914 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1Cc1cc(Cl)ccc1Br ZINC000263532190 1020506967 /nfs/dbraw/zinc/50/69/67/1020506967.db2.gz XDGIQFSPZJGYLP-NXEZZACHSA-N -1 0 346.652 3.788 20 0 EHADRM Cc1sccc1CC(=O)Nc1cc(Br)ccc1O ZINC000345798136 1020528031 /nfs/dbraw/zinc/52/80/31/1020528031.db2.gz XXESNDXBCDHEBY-UHFFFAOYSA-N -1 0 326.215 3.706 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)Nc1cccc(F)c1F)C(=O)[O-] ZINC000345827610 1020531097 /nfs/dbraw/zinc/53/10/97/1020531097.db2.gz SXEPWDWMBFWTDI-VIFPVBQESA-N -1 0 337.347 3.782 20 0 EHADRM FC(F)c1n[n-]c(=N[C@@H]2C[C@@H]2c2ccc(Br)cc2)s1 ZINC000340900915 1020568810 /nfs/dbraw/zinc/56/88/10/1020568810.db2.gz LEHRAUQKFNGSJN-RKDXNWHRSA-N -1 0 346.200 3.628 20 0 EHADRM O=C([O-])Cn1ccc2cc(NC(=O)C3(Cc4ccccc4)CC3)ccc21 ZINC000345894039 1020592871 /nfs/dbraw/zinc/59/28/71/1020592871.db2.gz ZBMAZPXIJTWATR-UHFFFAOYSA-N -1 0 348.402 3.687 20 0 EHADRM CC(C)CN1C(=O)c2ccccc2N[C@@H]1c1ccc(C(=O)[O-])c(F)c1 ZINC000656488899 1020716265 /nfs/dbraw/zinc/71/62/65/1020716265.db2.gz ASLDNQFBOGBMBA-KRWDZBQOSA-N -1 0 342.370 3.746 20 0 EHADRM Cc1cc(NC(=O)N([C@H](C)C(=O)[O-])C2CCC2)cc(C(F)(F)F)c1 ZINC000656505686 1020766560 /nfs/dbraw/zinc/76/65/60/1020766560.db2.gz CJXGSVDHBPENDP-SNVBAGLBSA-N -1 0 344.333 3.873 20 0 EHADRM C=CC[C@@H](C(=O)N[N-]C(=O)c1cc2ccccc2o1)c1ccccc1 ZINC000188452104 1020791832 /nfs/dbraw/zinc/79/18/32/1020791832.db2.gz JTRDUEZWBRNHAM-MRXNPFEDSA-N -1 0 334.375 3.554 20 0 EHADRM Cc1ccc(-c2ncco2)cc1NC(=O)c1c([O-])cc(F)cc1F ZINC000089891349 1020830424 /nfs/dbraw/zinc/83/04/24/1020830424.db2.gz HXOJWNIPPJWGDY-UHFFFAOYSA-N -1 0 330.290 3.886 20 0 EHADRM C/C=C\c1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)cc1 ZINC000341017951 1020863606 /nfs/dbraw/zinc/86/36/06/1020863606.db2.gz ABVKADGPMNBKET-KXFIGUGUSA-N -1 0 339.420 3.706 20 0 EHADRM COCc1csc(C[NH2+][C@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000656565811 1020922206 /nfs/dbraw/zinc/92/22/06/1020922206.db2.gz VBGOBAKAUWMQPD-OAHLLOKOSA-N -1 0 339.844 3.854 20 0 EHADRM C[C@H](c1ccccc1)[C@@H](NCc1ncc(C(C)(C)C)s1)C(=O)[O-] ZINC000656570035 1020939793 /nfs/dbraw/zinc/93/97/93/1020939793.db2.gz VPXWYYQLFPRGIY-MLGOLLRUSA-N -1 0 332.469 3.787 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1cc2c([nH]c1=O)CCC2 ZINC000760425815 1032943353 /nfs/dbraw/zinc/94/33/53/1032943353.db2.gz JRXZVKHAEFORTE-UHFFFAOYSA-N -1 0 339.178 3.541 20 0 EHADRM O=C([O-])c1c2c(nc3ccccc31)/C(=C/c1cc3n(n1)CCC3)CC2 ZINC000656612586 1021024133 /nfs/dbraw/zinc/02/41/33/1021024133.db2.gz GESSBMZOFWTHSR-ZRDIBKRKSA-N -1 0 331.375 3.563 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)n1 ZINC000581511869 1021031682 /nfs/dbraw/zinc/03/16/82/1021031682.db2.gz GFULUKLZHUDKDR-UHFFFAOYSA-N -1 0 348.371 3.623 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccn2)c(C)c1 ZINC000502451331 1032953029 /nfs/dbraw/zinc/95/30/29/1032953029.db2.gz SHIKIHZPXZVUEW-UHFFFAOYSA-N -1 0 344.358 3.826 20 0 EHADRM Cc1c(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2C)cnn1C ZINC000581584309 1021112739 /nfs/dbraw/zinc/11/27/39/1021112739.db2.gz NLNCSZVOCOVLHN-UHFFFAOYSA-N -1 0 341.436 3.505 20 0 EHADRM CC[C@@H](C)n1nc(C(=O)Nc2cc(Cl)c([O-])cc2F)cc1C ZINC000436769269 1021219739 /nfs/dbraw/zinc/21/97/39/1021219739.db2.gz HGZFCNCCQMAEPW-MRVPVSSYSA-N -1 0 325.771 3.913 20 0 EHADRM Cc1oc(-c2ccccc2)nc1COc1ccc(-c2n[n-]c(=N)o2)cc1 ZINC000439195502 1021223446 /nfs/dbraw/zinc/22/34/46/1021223446.db2.gz AFPKZVFTYIVGAZ-UHFFFAOYSA-N -1 0 348.362 3.692 20 0 EHADRM CC[C@@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CCCO1 ZINC000436783014 1021224070 /nfs/dbraw/zinc/22/40/70/1021224070.db2.gz KKZXSSGNJMPZGG-GFCCVEGCSA-N -1 0 333.815 3.840 20 0 EHADRM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2cc(C)cnc2C)c1 ZINC000656734160 1021229310 /nfs/dbraw/zinc/22/93/10/1021229310.db2.gz BFCBGVJICFUHOH-ZDUSSCGKSA-N -1 0 334.441 3.677 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2nccc(C)c2C2CC2)c(C)c1C ZINC000656738312 1021233078 /nfs/dbraw/zinc/23/30/78/1021233078.db2.gz IGPNVMKFTBEUPY-UHFFFAOYSA-N -1 0 346.452 3.694 20 0 EHADRM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2c(C)ccnc2C)c1 ZINC000656736805 1021233207 /nfs/dbraw/zinc/23/32/07/1021233207.db2.gz DNJJYQRYBVGLFX-CYBMUJFWSA-N -1 0 334.441 3.677 20 0 EHADRM CC(C)(c1nnc(NC(=O)c2ccccc2O)s1)c1ccccc1 ZINC000436822048 1021273760 /nfs/dbraw/zinc/27/37/60/1021273760.db2.gz ZTMYUDNLSMFYEA-UHFFFAOYSA-N -1 0 339.420 3.822 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C2CC2)cc1 ZINC000581651489 1021278884 /nfs/dbraw/zinc/27/88/84/1021278884.db2.gz DLGFHRIGFOXXQM-UHFFFAOYSA-N -1 0 345.420 3.680 20 0 EHADRM CN(C[C@@H]1CC=CCC1)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000436855229 1021280596 /nfs/dbraw/zinc/28/05/96/1021280596.db2.gz VBZROVPEKHJXCK-SNVBAGLBSA-N -1 0 342.208 3.722 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])C1CC1 ZINC000439263775 1021289901 /nfs/dbraw/zinc/28/99/01/1021289901.db2.gz SGUUDNLYRHYYAF-IBGZPJMESA-N -1 0 347.418 3.767 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])C1CC1 ZINC000439263776 1021290692 /nfs/dbraw/zinc/29/06/92/1021290692.db2.gz SGUUDNLYRHYYAF-LJQANCHMSA-N -1 0 347.418 3.767 20 0 EHADRM Cc1c(C(=O)N=c2cc([C@H]3CCCO3)[nH][nH]2)oc2c1c(C)ccc2C ZINC000473857696 1021292534 /nfs/dbraw/zinc/29/25/34/1021292534.db2.gz OBTDKDCWQBRZMO-CQSZACIVSA-N -1 0 339.395 3.607 20 0 EHADRM COCCOc1cccc(/C=C/c2nc3cc(C(=O)[O-])ccc3o2)c1 ZINC000439269206 1021295998 /nfs/dbraw/zinc/29/59/98/1021295998.db2.gz CQRUVEVLPAIIBX-VMPITWQZSA-N -1 0 339.347 3.722 20 0 EHADRM CN(Cc1ccccc1)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000436851531 1021296363 /nfs/dbraw/zinc/29/63/63/1021296363.db2.gz LTNRRGFFJQUAGQ-UHFFFAOYSA-N -1 0 338.176 3.566 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)s1 ZINC000427318915 1021297547 /nfs/dbraw/zinc/29/75/47/1021297547.db2.gz CKSBMGBNIUXROE-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM CC1(C)CCCN(C(=O)c2cc(F)cc(Br)c2[O-])C1 ZINC000436860359 1021298246 /nfs/dbraw/zinc/29/82/46/1021298246.db2.gz WJRQPGMNSIIRSW-UHFFFAOYSA-N -1 0 330.197 3.556 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CCC(=O)c2ccc(C)cc2)c1 ZINC000436861286 1021298876 /nfs/dbraw/zinc/29/88/76/1021298876.db2.gz KGLBUPHEVVMPJC-UHFFFAOYSA-N -1 0 325.364 3.505 20 0 EHADRM Cc1cc(O)c(C(C)C)cc1C(=O)N=c1[n-]nc(CC(C)C)s1 ZINC000436859951 1021299019 /nfs/dbraw/zinc/29/90/19/1021299019.db2.gz ZUAONOGFFGFOGH-UHFFFAOYSA-N -1 0 333.457 3.548 20 0 EHADRM O=C(Nc1ccc(F)c(F)c1[O-])c1cc(Br)ccc1F ZINC001625987942 1032966354 /nfs/dbraw/zinc/96/63/54/1032966354.db2.gz JKMBGOIFBVTOHC-UHFFFAOYSA-N -1 0 346.102 3.824 20 0 EHADRM Cc1cc(Br)c(O)c(NC(=O)c2c([O-])cccc2F)c1 ZINC000436894004 1021324336 /nfs/dbraw/zinc/32/43/36/1021324336.db2.gz PZVALQVUTYDYEB-UHFFFAOYSA-N -1 0 340.148 3.560 20 0 EHADRM O=C(c1cc(F)cc(Br)c1[O-])N1CCC[C@H]2CCC[C@@H]21 ZINC000436884472 1021337151 /nfs/dbraw/zinc/33/71/51/1021337151.db2.gz DBDQXEMDYMMUCA-RNCFNFMXSA-N -1 0 342.208 3.699 20 0 EHADRM CCC(CC)[C@H]1C[C@H](NC(=O)c2cc(F)cc(Cl)c2[O-])CCO1 ZINC000436907636 1021352761 /nfs/dbraw/zinc/35/27/61/1021352761.db2.gz GGKADFHSODPXOK-IUODEOHRSA-N -1 0 343.826 3.898 20 0 EHADRM COc1ccc2nc(C(=O)Nc3cc(F)cc(Cl)c3[O-])ccc2c1 ZINC000436911927 1021355628 /nfs/dbraw/zinc/35/56/28/1021355628.db2.gz VIZJMCJKXOFLQL-UHFFFAOYSA-N -1 0 346.745 3.994 20 0 EHADRM CC[C@@H](C)n1nc(C(=O)Nc2cc(F)cc(Cl)c2[O-])cc1C ZINC000436899379 1021363413 /nfs/dbraw/zinc/36/34/13/1021363413.db2.gz DUJNNQODPZSULY-MRVPVSSYSA-N -1 0 325.771 3.913 20 0 EHADRM COC(=O)C(C)(C)c1ccc(NC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000436932077 1021368769 /nfs/dbraw/zinc/36/87/69/1021368769.db2.gz NYKXDFKWCORBNV-UHFFFAOYSA-N -1 0 347.798 3.749 20 0 EHADRM O=C(Nc1ccc(Cn2cccn2)cc1)c1cc(F)cc(Cl)c1[O-] ZINC000436929793 1021392460 /nfs/dbraw/zinc/39/24/60/1021392460.db2.gz WDBNXBNAPLGABP-UHFFFAOYSA-N -1 0 345.761 3.682 20 0 EHADRM O=C(Nc1cnn(-c2ccc(Cl)cc2)c1)c1ccc(O)cc1F ZINC000436950262 1021392862 /nfs/dbraw/zinc/39/28/62/1021392862.db2.gz BIERYHMVOUXJGA-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436961537 1021410428 /nfs/dbraw/zinc/41/04/28/1021410428.db2.gz HQOJVBKXDWVSQX-QLJPJBMISA-N -1 0 349.789 3.649 20 0 EHADRM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)c1ccc(O)cc1 ZINC000436964748 1021412922 /nfs/dbraw/zinc/41/29/22/1021412922.db2.gz SFBCWXZUHOOXHE-RBUKOAKNSA-N -1 0 337.419 3.760 20 0 EHADRM CC1(CNC(=O)c2cc(Cl)c3ccccc3c2[O-])CCOCC1 ZINC000436969011 1021416515 /nfs/dbraw/zinc/41/65/15/1021416515.db2.gz XNQFTOSCIWBZAQ-UHFFFAOYSA-N -1 0 333.815 3.745 20 0 EHADRM Cc1ccc(F)cc1-c1nnc(NC(=O)c2ccc(F)cc2[O-])s1 ZINC000436987452 1021440861 /nfs/dbraw/zinc/44/08/61/1021440861.db2.gz IZHBUITWCOLGBO-UHFFFAOYSA-N -1 0 347.346 3.750 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(Cl)c2[O-])nn1-c1cccc(F)c1 ZINC000437002881 1021459825 /nfs/dbraw/zinc/45/98/25/1021459825.db2.gz IINVYHRDBDGASB-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)N[C@@H](C)c2ccccc2)s[n-]1 ZINC000437007431 1021462281 /nfs/dbraw/zinc/46/22/81/1021462281.db2.gz XVCFDJPUPCFEKT-NSHDSACASA-N -1 0 344.465 3.880 20 0 EHADRM CCCCCOc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)cc1 ZINC000341343616 1021473785 /nfs/dbraw/zinc/47/37/85/1021473785.db2.gz AYHQPFUHRHIKJV-JXFKEZNVSA-N -1 0 345.439 3.583 20 0 EHADRM CSc1ccccc1[N-]S(=O)(=O)c1cnc2ccsc2c1 ZINC000439564360 1021560229 /nfs/dbraw/zinc/56/02/29/1021560229.db2.gz PWFQNECPWHPJAG-UHFFFAOYSA-N -1 0 336.463 3.819 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)C1(c2ccccc2Cl)CCC1 ZINC000659241664 1021561730 /nfs/dbraw/zinc/56/17/30/1021561730.db2.gz JLZPKVRHCSWVJW-WMLDXEAASA-N -1 0 335.831 3.521 20 0 EHADRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000048616420 1021575261 /nfs/dbraw/zinc/57/52/61/1021575261.db2.gz BJJZFVCSDFPDHT-NSHDSACASA-N -1 0 339.363 3.804 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCCCCC3)n2)cc1 ZINC000124053064 1021583209 /nfs/dbraw/zinc/58/32/09/1021583209.db2.gz VPEQZMSPHNWEEJ-UHFFFAOYSA-N -1 0 327.428 3.718 20 0 EHADRM O=C([O-])[C@@H](CC1CC1)NC(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000581710871 1021592951 /nfs/dbraw/zinc/59/29/51/1021592951.db2.gz UXCYMHNWELYSNT-CYBMUJFWSA-N -1 0 344.333 3.556 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)SCc2ccccc2)cc1 ZINC000048422655 1021604813 /nfs/dbraw/zinc/60/48/13/1021604813.db2.gz XSYLPNZCZQALMY-AWEZNQCLSA-N -1 0 349.477 3.962 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC000516663484 1021622559 /nfs/dbraw/zinc/62/25/59/1021622559.db2.gz QKBZGLJJIXHRRD-VQIMIIECSA-N -1 0 339.435 3.630 20 0 EHADRM CCCc1nnc([N-]S(=O)(=O)c2ccc([C@@H](C)CC)cc2)s1 ZINC000437178950 1021626637 /nfs/dbraw/zinc/62/66/37/1021626637.db2.gz BGDMSPCKZQOMGM-NSHDSACASA-N -1 0 339.486 3.805 20 0 EHADRM CC(C)(C)c1csc(CN(CC(=O)[O-])Cc2ccc(F)cc2)n1 ZINC000516657399 1021633852 /nfs/dbraw/zinc/63/38/52/1021633852.db2.gz YEFPVNPPWVRYOL-UHFFFAOYSA-N -1 0 336.432 3.667 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccnn2-c2ccccc2)c(C)c1 ZINC000437303167 1021715806 /nfs/dbraw/zinc/71/58/06/1021715806.db2.gz AXQHOGPXOAYKHW-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM COc1ccc([C@H](NC(=O)CC2CCC(C(=O)[O-])CC2)C(C)C)cc1 ZINC000516772750 1021718876 /nfs/dbraw/zinc/71/88/76/1021718876.db2.gz FVNVOMVRLYMZNO-GSQSYGFSSA-N -1 0 347.455 3.790 20 0 EHADRM CCCOc1ccc(S(=O)(=O)[N-]c2ncc(C(C)C)s2)cc1 ZINC000437315010 1021724064 /nfs/dbraw/zinc/72/40/64/1021724064.db2.gz PPMIXWMNJFKMPX-UHFFFAOYSA-N -1 0 340.470 3.856 20 0 EHADRM CC(C)(C)c1cnc([N-]S(=O)(=O)c2cccc(F)c2F)s1 ZINC000437330865 1021739685 /nfs/dbraw/zinc/73/96/85/1021739685.db2.gz CNPBPCZSSZUTOH-UHFFFAOYSA-N -1 0 332.397 3.520 20 0 EHADRM CCCN(C(=O)N=c1[n-]nc(CC)s1)[C@H](C)c1ccccc1OC ZINC000519905442 1021772326 /nfs/dbraw/zinc/77/23/26/1021772326.db2.gz LGLSBTPAVUIDPO-GFCCVEGCSA-N -1 0 348.472 3.536 20 0 EHADRM O=S(=O)([N-]c1ccc2ccccc2n1)c1cccc2cccnc21 ZINC000437388251 1021776155 /nfs/dbraw/zinc/77/61/55/1021776155.db2.gz BUEXGBHSLGHYSC-UHFFFAOYSA-N -1 0 335.388 3.584 20 0 EHADRM CCSc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000439890874 1021790487 /nfs/dbraw/zinc/79/04/87/1021790487.db2.gz BCTSVLOWCXTSJH-INIZCTEOSA-N -1 0 347.411 3.884 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccoc2)c(OCc2ccccc2)c1 ZINC000506720474 1021817307 /nfs/dbraw/zinc/81/73/07/1021817307.db2.gz SIGUWEVXNPMJSJ-UHFFFAOYSA-N -1 0 343.404 3.968 20 0 EHADRM CCSc1ccc(C(=O)Nc2cccc(OCC(=O)[O-])c2)cc1 ZINC000439929619 1021818602 /nfs/dbraw/zinc/81/86/02/1021818602.db2.gz ZHUKGYNBSCOQHA-UHFFFAOYSA-N -1 0 331.393 3.514 20 0 EHADRM Cc1n[n-]c(=NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)s1 ZINC000607142720 1033008832 /nfs/dbraw/zinc/00/88/32/1033008832.db2.gz AERLTKRKOYSRML-RNFRBKRXSA-N -1 0 333.301 3.590 20 0 EHADRM CCc1cc(=O)[nH]c(S[C@@H](C)C(=O)Nc2ccccc2C(C)C)n1 ZINC000188116324 1021829151 /nfs/dbraw/zinc/82/91/51/1021829151.db2.gz CEKCZKAEHBAHJQ-LBPRGKRZSA-N -1 0 345.468 3.575 20 0 EHADRM Cc1csc(S(=O)(=O)[N-]c2ccc(C(=O)C3CCC3)cc2)c1 ZINC000516908255 1021829715 /nfs/dbraw/zinc/82/97/15/1021829715.db2.gz BADYRRKGJMFFGF-UHFFFAOYSA-N -1 0 335.450 3.840 20 0 EHADRM O=C([O-])[C@H](CC(=O)Nc1ccccc1OCC1CC1)c1ccccc1 ZINC000607165708 1033020776 /nfs/dbraw/zinc/02/07/76/1033020776.db2.gz WDUSNJITGAJFTF-MRXNPFEDSA-N -1 0 339.391 3.672 20 0 EHADRM O=S(=O)([N-]c1ccc(COCc2ccccc2)cc1)c1ccco1 ZINC000437658455 1022036080 /nfs/dbraw/zinc/03/60/80/1022036080.db2.gz UJZVWEDMAHBQIL-UHFFFAOYSA-N -1 0 343.404 3.797 20 0 EHADRM CCc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)s1 ZINC000048461009 1022053804 /nfs/dbraw/zinc/05/38/04/1022053804.db2.gz CNKZISPOZIFGDT-UHFFFAOYSA-N -1 0 335.859 3.719 20 0 EHADRM C[C@H]1CC[C@@](C[NH2+]Cc2csc(-c3ccccn3)n2)(CC(=O)[O-])C1 ZINC000426632133 1022094124 /nfs/dbraw/zinc/09/41/24/1022094124.db2.gz SMKIOFUOTQVLDQ-UGSOOPFHSA-N -1 0 345.468 3.576 20 0 EHADRM Cc1cc(Sc2ccccc2)ccc1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000135305932 1022101659 /nfs/dbraw/zinc/10/16/59/1022101659.db2.gz OVTFFDDBWBOITR-UHFFFAOYSA-N -1 0 345.449 3.670 20 0 EHADRM O=C([O-])c1csc(CNCc2ccc(-c3ccccc3F)s2)n1 ZINC000426636649 1022107014 /nfs/dbraw/zinc/10/70/14/1022107014.db2.gz AJFJGXZNTLSPNK-UHFFFAOYSA-N -1 0 348.424 3.999 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)N2CC(C)(C)C[C@@H]2C)s[n-]1 ZINC000417000787 1022122984 /nfs/dbraw/zinc/12/29/84/1022122984.db2.gz RYHQQBKLYNUNHR-JTQLQIEISA-N -1 0 336.486 3.649 20 0 EHADRM Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000178219886 1022193891 /nfs/dbraw/zinc/19/38/91/1022193891.db2.gz MGGUYHRKOYIRPI-NSHDSACASA-N -1 0 340.404 3.853 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1SCCc2ccccc21)C1CCCCC1 ZINC000345976063 1022238602 /nfs/dbraw/zinc/23/86/02/1022238602.db2.gz IWHRXRCYOUHMPU-FUHWJXTLSA-N -1 0 347.480 3.557 20 0 EHADRM COc1cc([C@@H](C)N=c2[n-]nc(C)o2)ccc1OCc1ccccc1 ZINC000341586845 1022412784 /nfs/dbraw/zinc/41/27/84/1022412784.db2.gz NURTTYACFHGOKS-CYBMUJFWSA-N -1 0 339.395 3.561 20 0 EHADRM CC(C)Oc1ccc(F)cc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000262088203 1022499917 /nfs/dbraw/zinc/49/99/17/1022499917.db2.gz GDEIVLKEBSUDJP-UHFFFAOYSA-N -1 0 345.370 3.882 20 0 EHADRM Cc1ccc([C@H]2OCCC[C@H]2CN=c2[n-]nc(C(F)F)s2)cc1 ZINC000517612783 1022500063 /nfs/dbraw/zinc/50/00/63/1022500063.db2.gz AAETWBVDGIRGGV-QWHCGFSZSA-N -1 0 339.411 3.786 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)[C@@H](c1ccccc1)C1CC1 ZINC000550122973 1022516596 /nfs/dbraw/zinc/51/65/96/1022516596.db2.gz QPJXRJRKYMDLGA-KRWDZBQOSA-N -1 0 348.406 3.618 20 0 EHADRM COc1cc(C)c([N-]S(=O)(=O)c2cccc(C)c2F)c(C)c1C ZINC000581964949 1022566342 /nfs/dbraw/zinc/56/63/42/1022566342.db2.gz MAATZHKXJXFCKI-UHFFFAOYSA-N -1 0 337.416 3.869 20 0 EHADRM O=C(COC1CCCC1)Nc1cc(Br)cc(Cl)c1[O-] ZINC000330510614 1022592208 /nfs/dbraw/zinc/59/22/08/1022592208.db2.gz QMLOVKKXKJLAAF-UHFFFAOYSA-N -1 0 348.624 3.706 20 0 EHADRM CC[C@@H](CC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655580073 1022602951 /nfs/dbraw/zinc/60/29/51/1022602951.db2.gz GBROCGUXTXIUEU-YQFWSFKMSA-N -1 0 331.456 3.822 20 0 EHADRM CN(Cc1cccc(Cl)c1)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000330640926 1022627513 /nfs/dbraw/zinc/62/75/13/1022627513.db2.gz QKDCYPLAWZJGTR-UHFFFAOYSA-N -1 0 338.864 3.575 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)CC3CCCC3)n2)c1 ZINC000303918634 1022634210 /nfs/dbraw/zinc/63/42/10/1022634210.db2.gz OEVKYLROPOJMMG-UHFFFAOYSA-N -1 0 341.455 3.964 20 0 EHADRM C[C@@H](NC(=O)CCc1ccc([C@@H]2C[C@H]2C)o1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655581651 1022665797 /nfs/dbraw/zinc/66/57/97/1022665797.db2.gz AOBIAYJAKSNRIB-LKAFINOVSA-N -1 0 347.455 3.587 20 0 EHADRM CCCc1nc(=NC(=O)N(Cc2ccc(C)c(C)c2)C2CC2)s[n-]1 ZINC000517784918 1022679569 /nfs/dbraw/zinc/67/95/69/1022679569.db2.gz ZUIUOPAPLPPEMJ-UHFFFAOYSA-N -1 0 344.484 3.726 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)c2cc(F)c3ccccc3c2)s[n-]1 ZINC000550198903 1022701322 /nfs/dbraw/zinc/70/13/22/1022701322.db2.gz DVUAONXZSACNJB-UHFFFAOYSA-N -1 0 329.400 3.802 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(C)C)[nH]n2)c1Cl ZINC000330968220 1022718154 /nfs/dbraw/zinc/71/81/54/1022718154.db2.gz LYDSFOBTQZTJNZ-UHFFFAOYSA-N -1 0 348.255 3.949 20 0 EHADRM CCSc1ccccc1C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655586308 1022832411 /nfs/dbraw/zinc/83/24/11/1022832411.db2.gz QLWCFECTTNAZIP-FPMFFAJLSA-N -1 0 335.469 3.664 20 0 EHADRM O=S(=O)([N-]c1cc(C2CCCC2)[nH]n1)c1ccc(F)cc1Cl ZINC000126838513 1022858100 /nfs/dbraw/zinc/85/81/00/1022858100.db2.gz OFASTTJTTWZWEZ-UHFFFAOYSA-N -1 0 343.811 3.661 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cnn(C(C)C)c2)ccc1C(F)(F)F ZINC000438749596 1022960037 /nfs/dbraw/zinc/96/00/37/1022960037.db2.gz CKIUFVZIZRYGNS-UHFFFAOYSA-N -1 0 347.362 3.592 20 0 EHADRM C[C@H]1CCc2nc(CN[C@@H](CC(=O)[O-])c3ccsc3)sc2C1 ZINC000426684632 1022960798 /nfs/dbraw/zinc/96/07/98/1022960798.db2.gz AIEPSXQYCCCNND-GWCFXTLKSA-N -1 0 336.482 3.635 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cnn(CC(C)C)c2)c1C ZINC000438749011 1022967469 /nfs/dbraw/zinc/96/74/69/1022967469.db2.gz ANUFRSBQNZQJOM-UHFFFAOYSA-N -1 0 335.473 3.574 20 0 EHADRM Cc1nc(CNCc2ccc(Cl)cc2Cl)sc1C(=O)[O-] ZINC000426704002 1022973582 /nfs/dbraw/zinc/97/35/82/1022973582.db2.gz ITYBHMPRPQEAJE-UHFFFAOYSA-N -1 0 331.224 3.746 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1cccc(CC(F)(F)F)c1 ZINC000438765679 1022981018 /nfs/dbraw/zinc/98/10/18/1022981018.db2.gz URSXJJZPCXDVDZ-UHFFFAOYSA-N -1 0 335.372 3.962 20 0 EHADRM CC(C)[C@@H]1N(C(=O)c2nn(-c3ccccc3)cc2[O-])CC12CCCC2 ZINC000562965165 1023015640 /nfs/dbraw/zinc/01/56/40/1023015640.db2.gz ZGZJVSGRRHXGGT-SFHVURJKSA-N -1 0 339.439 3.619 20 0 EHADRM COc1ccccc1[C@@H](NCc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000426766218 1023017124 /nfs/dbraw/zinc/01/71/24/1023017124.db2.gz XXMUAYZUHFQIQN-OAHLLOKOSA-N -1 0 340.206 3.918 20 0 EHADRM Cc1ccc(-c2ncc(CN[C@H](C(=O)[O-])c3ccccc3F)s2)o1 ZINC000426767282 1023044173 /nfs/dbraw/zinc/04/41/73/1023044173.db2.gz LPKCRVIIEYXHAC-HNNXBMFYSA-N -1 0 346.383 3.766 20 0 EHADRM O=C([O-])[C@H](NCc1cnc(-c2ccccc2)s1)c1cccc(F)c1 ZINC000426821342 1023067361 /nfs/dbraw/zinc/06/73/61/1023067361.db2.gz RVOGUMOGKRTHDK-MRXNPFEDSA-N -1 0 342.395 3.865 20 0 EHADRM COc1ccccc1[C@@H](NCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000426824298 1023069526 /nfs/dbraw/zinc/06/95/26/1023069526.db2.gz MFBOWFZJNRCGHV-OAHLLOKOSA-N -1 0 340.206 3.918 20 0 EHADRM Cc1cc2cccnc2c([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000506995791 1023069850 /nfs/dbraw/zinc/06/98/50/1023069850.db2.gz WMJXULZZYVBYKR-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM CSc1ccccc1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000430979149 1023074609 /nfs/dbraw/zinc/07/46/09/1023074609.db2.gz NCODHPXXOFFQTA-UHFFFAOYSA-N -1 0 330.434 3.758 20 0 EHADRM Cc1ccc(-c2ncc(CN[C@@H](C(=O)[O-])c3ccsc3)s2)o1 ZINC000426833760 1023081386 /nfs/dbraw/zinc/08/13/86/1023081386.db2.gz MQTPNXGNTZUCML-CYBMUJFWSA-N -1 0 334.422 3.689 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N[C@H](C)Cc2ccsc2)s1 ZINC000518177487 1023085901 /nfs/dbraw/zinc/08/59/01/1023085901.db2.gz RHNUVYYTIGAHNS-SNVBAGLBSA-N -1 0 338.502 3.678 20 0 EHADRM CCc1cccc(C)c1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000430984447 1023086751 /nfs/dbraw/zinc/08/67/51/1023086751.db2.gz MWXIBCZOMIUPBJ-UHFFFAOYSA-N -1 0 326.421 3.906 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)C(=O)[O-] ZINC000346017626 1023126110 /nfs/dbraw/zinc/12/61/10/1023126110.db2.gz POLMFZVUYSGONH-WPPNPWJKSA-N -1 0 343.210 3.704 20 0 EHADRM O=C(NCc1ccc2ccccc2c1)c1nn(-c2ccccc2)cc1[O-] ZINC000438938483 1023154446 /nfs/dbraw/zinc/15/44/46/1023154446.db2.gz VASHSBGIIMEKST-UHFFFAOYSA-N -1 0 343.386 3.661 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)NC(C3CC3)C3CC3)n2)cc1 ZINC000438952852 1023168116 /nfs/dbraw/zinc/16/81/16/1023168116.db2.gz NKDYWROAJHMFPR-UHFFFAOYSA-N -1 0 339.439 3.620 20 0 EHADRM CCCCS(=O)(=O)[N-]C(=O)c1ccccc1SC(F)(F)F ZINC000048554389 1023169794 /nfs/dbraw/zinc/16/97/94/1023169794.db2.gz CMAQMFHGBYUSOC-UHFFFAOYSA-N -1 0 341.376 3.733 20 0 EHADRM CCN(CC(C)C)C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000438960519 1023175160 /nfs/dbraw/zinc/17/51/60/1023175160.db2.gz BSSIGMIPVUMZBT-UHFFFAOYSA-N -1 0 329.444 3.819 20 0 EHADRM O=S(=O)([N-][C@@H](C1CCCC1)C(F)(F)F)c1ccc(Cl)s1 ZINC000510798866 1023180607 /nfs/dbraw/zinc/18/06/07/1023180607.db2.gz QLIAWYIRYKZSOG-JTQLQIEISA-N -1 0 347.811 3.801 20 0 EHADRM Cc1ccoc1CN=c1[n-]nc(SCc2ccc(F)cc2)s1 ZINC000518306363 1023221359 /nfs/dbraw/zinc/22/13/59/1023221359.db2.gz VUIDRCUTIQKCGN-UHFFFAOYSA-N -1 0 335.429 3.905 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1 ZINC000262104756 1023263180 /nfs/dbraw/zinc/26/31/80/1023263180.db2.gz DXGWGFKWKHXOCS-UHFFFAOYSA-N -1 0 349.390 3.710 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)s1 ZINC000431159951 1023356781 /nfs/dbraw/zinc/35/67/81/1023356781.db2.gz RXRUBPFAVKMGQR-UHFFFAOYSA-N -1 0 347.408 3.810 20 0 EHADRM COc1cccc(-c2nc(=NC(=O)c3cccc(C)c3C)s[n-]2)c1 ZINC000476328941 1033126303 /nfs/dbraw/zinc/12/63/03/1033126303.db2.gz ZUNRWNVCDBQARQ-UHFFFAOYSA-N -1 0 339.420 3.505 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2OCC(F)F)s1 ZINC000431178104 1023386071 /nfs/dbraw/zinc/38/60/71/1023386071.db2.gz JHIXXEJNSJEAHT-UHFFFAOYSA-N -1 0 347.408 3.810 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2OC(C)C)s1 ZINC000431180557 1023391574 /nfs/dbraw/zinc/39/15/74/1023391574.db2.gz HHVCDDIQQXNNDD-UHFFFAOYSA-N -1 0 325.455 3.953 20 0 EHADRM CCOc1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1OCC ZINC000326605532 1023401868 /nfs/dbraw/zinc/40/18/68/1023401868.db2.gz JVMOUVRKJJSEBY-UHFFFAOYSA-N -1 0 347.342 3.574 20 0 EHADRM COc1cccc(-c2nc(=NC(=O)c3ccc(C)c(C)c3)s[n-]2)c1 ZINC000476318677 1033132703 /nfs/dbraw/zinc/13/27/03/1033132703.db2.gz BOLQGEJEMQHHSW-UHFFFAOYSA-N -1 0 339.420 3.505 20 0 EHADRM C[C@@]1(Br)C[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000528947552 1033138825 /nfs/dbraw/zinc/13/88/25/1033138825.db2.gz RTHKWHBPACXFTN-KSBSHMNSSA-N -1 0 339.016 3.811 20 0 EHADRM CCCC1CCC(NC(=O)N=c2[n-]nc(-c3ccco3)s2)CC1 ZINC000510946246 1023526648 /nfs/dbraw/zinc/52/66/48/1023526648.db2.gz CFXULCGHMMHILQ-UHFFFAOYSA-N -1 0 334.445 3.700 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000431214811 1023528441 /nfs/dbraw/zinc/52/84/41/1023528441.db2.gz XMSUNNZAXLZUDC-YSHGAJCASA-N -1 0 343.467 3.890 20 0 EHADRM Cc1cc(COc2ccc(/C=C\c3ccncn3)cc2)oc1C(=O)[O-] ZINC000535747978 1023604704 /nfs/dbraw/zinc/60/47/04/1023604704.db2.gz AAFCWMIDAMILOL-DJWKRKHSSA-N -1 0 336.347 3.826 20 0 EHADRM CSc1cccc(C)c1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000471986496 1023882654 /nfs/dbraw/zinc/88/26/54/1023882654.db2.gz XTXMXSCZICFKBF-UHFFFAOYSA-N -1 0 325.430 3.965 20 0 EHADRM CC(C)Oc1ccccc1CNC(=O)CC1(C(=O)[O-])CCCCCC1 ZINC000614571926 1023955985 /nfs/dbraw/zinc/95/59/85/1023955985.db2.gz LXUXTJWISKYLHC-UHFFFAOYSA-N -1 0 347.455 3.905 20 0 EHADRM Cc1oc(CNC(=O)CCC(C)(C)c2ccccc2)cc1C(=O)[O-] ZINC000190923146 1023996419 /nfs/dbraw/zinc/99/64/19/1023996419.db2.gz DDISSXRNZDDUFH-UHFFFAOYSA-N -1 0 329.396 3.660 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCC1CCC1)c1ccc(Cl)c(F)c1 ZINC000191091880 1024013100 /nfs/dbraw/zinc/01/31/00/1024013100.db2.gz WRPBBKPRBXMADO-CQSZACIVSA-N -1 0 327.783 3.691 20 0 EHADRM O=S(=O)(Cc1ccc(F)c(Cl)c1)Nc1cccc(C2CC2)n1 ZINC000520507387 1024019816 /nfs/dbraw/zinc/01/98/16/1024019816.db2.gz QBEAYKAKMVEKDV-UHFFFAOYSA-N -1 0 340.807 3.693 20 0 EHADRM Cc1ccc(-c2[n-][nH]c(=NC(=O)c3cc(F)cc(Cl)c3)c2C)o1 ZINC000434440461 1024048209 /nfs/dbraw/zinc/04/82/09/1024048209.db2.gz IQBAEHZVSXQEBU-UHFFFAOYSA-N -1 0 333.750 3.753 20 0 EHADRM O=C([O-])CCc1ccc(-c2ccccc2OC[C@H]2CCOC2)cc1F ZINC000657203694 1024082884 /nfs/dbraw/zinc/08/28/84/1024082884.db2.gz MNFZTDTZXGJMFO-AWEZNQCLSA-N -1 0 344.382 3.925 20 0 EHADRM O=C([O-])CCc1ccc(-c2cccc(CO[C@@H]3CCOC3)c2)cc1F ZINC000657203737 1024083471 /nfs/dbraw/zinc/08/34/71/1024083471.db2.gz PYRFCIVJUGHHMC-GOSISDBHSA-N -1 0 344.382 3.815 20 0 EHADRM CC[C@](C)(CC(=O)[O-])C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000634815477 1024096604 /nfs/dbraw/zinc/09/66/04/1024096604.db2.gz URWXHARLKJWZTO-MEBBXXQBSA-N -1 0 331.334 3.774 20 0 EHADRM CCOc1c(OC)cc(C(=O)[O-])cc1-c1cnc(SC)cc1C ZINC000657205928 1024106903 /nfs/dbraw/zinc/10/69/03/1024106903.db2.gz XSOSRWCJPWCFKI-UHFFFAOYSA-N -1 0 333.409 3.884 20 0 EHADRM C[C@H](CC(=O)N[C@H](CC1CC1)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000262191859 1024112208 /nfs/dbraw/zinc/11/22/08/1024112208.db2.gz IBCDDGYEXOIXSG-QMTHXVAHSA-N -1 0 343.345 3.569 20 0 EHADRM CCOc1cc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)ccc1C ZINC000471998707 1024112124 /nfs/dbraw/zinc/11/21/24/1024112124.db2.gz MUCPHDGDWOBITC-UHFFFAOYSA-N -1 0 327.380 3.961 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)N=c2nc(C(C)(C)C)[n-]s2)c1C ZINC000522618349 1024120934 /nfs/dbraw/zinc/12/09/34/1024120934.db2.gz SLNNDWDGGHEJPB-GFCCVEGCSA-N -1 0 332.473 3.757 20 0 EHADRM CCc1cc([N-]S(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)n(C)n1 ZINC000522624878 1024125205 /nfs/dbraw/zinc/12/52/05/1024125205.db2.gz WYDUZGIFYZTBEI-UHFFFAOYSA-N -1 0 349.500 3.698 20 0 EHADRM Cc1ncsc1CCSc1n[n-]c(=Nc2ccccc2)s1 ZINC000505428963 1024137506 /nfs/dbraw/zinc/13/75/06/1024137506.db2.gz VBGYEZAORQBYII-UHFFFAOYSA-N -1 0 334.495 3.803 20 0 EHADRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(C)c(OC)c1C ZINC000434625212 1024225843 /nfs/dbraw/zinc/22/58/43/1024225843.db2.gz CPYWXXLPHVZPDP-UHFFFAOYSA-N -1 0 349.452 3.738 20 0 EHADRM Cc1cc(C)cc(N(C)C(=O)c2nn(-c3cccc(F)c3)cc2[O-])c1 ZINC000550545348 1024283320 /nfs/dbraw/zinc/28/33/20/1024283320.db2.gz MROPVKJCHWJYEB-UHFFFAOYSA-N -1 0 339.370 3.610 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)cc1)C(=O)[O-] ZINC000192918012 1024289810 /nfs/dbraw/zinc/28/98/10/1024289810.db2.gz UDPFJKHONWJDHU-YFYZNPQRSA-N -1 0 349.430 3.792 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2cccc(F)c2Cl)cc1)C(=O)[O-] ZINC000191401671 1024304073 /nfs/dbraw/zinc/30/40/73/1024304073.db2.gz SAVHLOXQMJWKPJ-JTQLQIEISA-N -1 0 335.762 3.995 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2nccc3ccccc32)cc1)C(=O)[O-] ZINC000191447328 1024324721 /nfs/dbraw/zinc/32/47/21/1024324721.db2.gz KRJDUEKBONOBAF-CYBMUJFWSA-N -1 0 334.375 3.750 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CCC[C@@H](O)c1ccccc1 ZINC000909517666 1024326425 /nfs/dbraw/zinc/32/64/25/1024326425.db2.gz VBHPNALWGXQEPO-GOSISDBHSA-N -1 0 341.407 3.844 20 0 EHADRM CCn1nc(CN[C@H](C(=O)[O-])c2cccc(C)c2C)c2ccccc21 ZINC000277247457 1024330711 /nfs/dbraw/zinc/33/07/11/1024330711.db2.gz JPSKIXZJRBGRTI-IBGZPJMESA-N -1 0 337.423 3.589 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2ncc(C)s2)cc1C(C)C ZINC000193714056 1024344112 /nfs/dbraw/zinc/34/41/12/1024344112.db2.gz QZTOHQGMIPEIAF-UHFFFAOYSA-N -1 0 340.470 3.693 20 0 EHADRM C[C@@H]1CCCC[C@H]1OCCNC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184267393 1024393118 /nfs/dbraw/zinc/39/31/18/1024393118.db2.gz FONZRXWSILFBFW-QMTHXVAHSA-N -1 0 329.799 3.510 20 0 EHADRM O=C([O-])[C@H](CNC(=O)Nc1ccc(Cl)c(Cl)c1)C1CCC1 ZINC000663337733 1024396480 /nfs/dbraw/zinc/39/64/80/1024396480.db2.gz TUPQOPHSMBOHTB-SNVBAGLBSA-N -1 0 331.199 3.616 20 0 EHADRM C[C@H](C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1)c1ccccc1F ZINC000191544776 1024410631 /nfs/dbraw/zinc/41/06/31/1024410631.db2.gz UCVPQIRHSZRWLI-HOCLYGCPSA-N -1 0 343.398 3.522 20 0 EHADRM Cc1cc(S(=O)(=O)Nc2ccc(C(C)C)cc2)ccc1C(=O)[O-] ZINC000324012529 1024416674 /nfs/dbraw/zinc/41/66/74/1024416674.db2.gz LMOGIHICOOIFHL-UHFFFAOYSA-N -1 0 333.409 3.617 20 0 EHADRM CN(Cc1ccccc1)C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1Cl ZINC000548567555 1024486517 /nfs/dbraw/zinc/48/65/17/1024486517.db2.gz AIPPWELVOPDLJD-INIZCTEOSA-N -1 0 346.814 3.650 20 0 EHADRM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2sccc2C)c1 ZINC000607613736 1033216352 /nfs/dbraw/zinc/21/63/52/1033216352.db2.gz SGYRGUYXHJIIOM-UHFFFAOYSA-N -1 0 338.454 3.596 20 0 EHADRM O=S(=O)([N-]c1n[nH]c2c1cccc2Cl)c1ccc(Cl)s1 ZINC000434971350 1024532564 /nfs/dbraw/zinc/53/25/64/1024532564.db2.gz JBYBANJVKMGJBC-UHFFFAOYSA-N -1 0 348.236 3.732 20 0 EHADRM O=S(=O)([N-]c1cc(-c2ccccc2)[nH]n1)c1ccccc1Cl ZINC000434974135 1024533432 /nfs/dbraw/zinc/53/34/32/1024533432.db2.gz QWDYKQWLJDHQNZ-UHFFFAOYSA-N -1 0 333.800 3.531 20 0 EHADRM Cc1cccc(C)c1[N-]S(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000195504069 1024562253 /nfs/dbraw/zinc/56/22/53/1024562253.db2.gz NATVVJCVHGGCKC-UHFFFAOYSA-N -1 0 331.437 3.818 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)c(C)c1 ZINC000195504670 1024562822 /nfs/dbraw/zinc/56/28/22/1024562822.db2.gz SIVSYVNUNSHECS-UHFFFAOYSA-N -1 0 347.436 3.518 20 0 EHADRM CCC(CC)(NC(=O)Nc1ccc(OC(C)C)c(Cl)c1)C(=O)[O-] ZINC000514595674 1024594316 /nfs/dbraw/zinc/59/43/16/1024594316.db2.gz BEGMQPIJGNRXAV-UHFFFAOYSA-N -1 0 342.823 3.892 20 0 EHADRM Cc1n[n-]c(=NCc2ccc(-c3ccccc3Cl)o2)n1C1CC1 ZINC000340701889 1024606252 /nfs/dbraw/zinc/60/62/52/1024606252.db2.gz RRISWCWHRCNPBJ-UHFFFAOYSA-N -1 0 328.803 3.869 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)c2nn(-c3ccccc3F)cc2[O-])s1 ZINC000729525655 1024609928 /nfs/dbraw/zinc/60/99/28/1024609928.db2.gz JLZQURBONLJYLD-LLVKDONJSA-N -1 0 345.399 3.578 20 0 EHADRM O=C([O-])C/C(=C\c1csnn1)c1nc2cc(Cl)ccc2s1 ZINC000520764063 1024645341 /nfs/dbraw/zinc/64/53/41/1024645341.db2.gz OLZXHCYKRUGIOL-XVNBXDOJSA-N -1 0 337.813 3.817 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)C[C@@H]2CCC3(CCC3)CO2)cc1)C(=O)[O-] ZINC000909525195 1024662349 /nfs/dbraw/zinc/66/23/49/1024662349.db2.gz WFPTWLKDCPHXNG-PBHICJAKSA-N -1 0 345.439 3.628 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)C[C@H]2CCC3(CCC3)CO2)cc1)C(=O)[O-] ZINC000909525198 1024662576 /nfs/dbraw/zinc/66/25/76/1024662576.db2.gz WFPTWLKDCPHXNG-WMLDXEAASA-N -1 0 345.439 3.628 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCC(F)F)cc1C ZINC000474303672 1024717676 /nfs/dbraw/zinc/71/76/76/1024717676.db2.gz PZMWRINWAYPQQY-UHFFFAOYSA-N -1 0 341.379 3.748 20 0 EHADRM CCc1c(C(=O)Nc2cc(C(C)=O)ccc2[O-])cnn1CCC(C)C ZINC000427708136 1024745738 /nfs/dbraw/zinc/74/57/38/1024745738.db2.gz WIKHVAKNGGNLAM-UHFFFAOYSA-N -1 0 343.427 3.652 20 0 EHADRM Cc1cccc(S([O-])=CC(=O)N[C@H](c2ccccc2)C(C)C)c1 ZINC000108100685 1024748985 /nfs/dbraw/zinc/74/89/85/1024748985.db2.gz ZQMGAJXBCIKKKO-CVDCTZTESA-N -1 0 329.465 3.616 20 0 EHADRM CC[C@H](C)N(Cc1ccccc1)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000262240135 1024780098 /nfs/dbraw/zinc/78/00/98/1024780098.db2.gz UGKNFUDMQTXIIR-HNNXBMFYSA-N -1 0 325.408 3.755 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2OCC(F)F)c1 ZINC000474389226 1024869330 /nfs/dbraw/zinc/86/93/30/1024869330.db2.gz MXLAVVLVCFBSCH-UHFFFAOYSA-N -1 0 341.379 3.748 20 0 EHADRM Cc1cc(C(=O)N=c2[n-]nc(Cc3ccc(Cl)cc3)s2)oc1C ZINC000548628635 1024874344 /nfs/dbraw/zinc/87/43/44/1024874344.db2.gz AKGONCMDYNBOSZ-UHFFFAOYSA-N -1 0 347.827 3.666 20 0 EHADRM O=C(N=c1nc(-c2ccsc2)[n-]s1)c1csc(Cl)c1 ZINC000344081197 1024888505 /nfs/dbraw/zinc/88/85/05/1024888505.db2.gz HJPWLGMBSBEYAD-UHFFFAOYSA-N -1 0 327.843 3.656 20 0 EHADRM Cc1csc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)c1 ZINC000579674527 1024891139 /nfs/dbraw/zinc/89/11/39/1024891139.db2.gz VYPPTTVSQCHEEE-UHFFFAOYSA-N -1 0 325.455 3.953 20 0 EHADRM Cc1cc(Cl)c(NC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1Cl ZINC000399078760 1024914396 /nfs/dbraw/zinc/91/43/96/1024914396.db2.gz SOIHBXWYMCWERY-SCZZXKLOSA-N -1 0 345.226 3.876 20 0 EHADRM C[C@@]([N-]S(=O)(=O)c1ccsc1)(c1ccccc1)C(F)(F)F ZINC000508191954 1024945065 /nfs/dbraw/zinc/94/50/65/1024945065.db2.gz CWVCNDVBKYRFJQ-GFCCVEGCSA-N -1 0 335.372 3.504 20 0 EHADRM CC[C@H](NC(=O)N1CCCCC[C@@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000684718605 1024957839 /nfs/dbraw/zinc/95/78/39/1024957839.db2.gz ZFMHPGGUMGUZKJ-LSDHHAIUSA-N -1 0 338.835 3.830 20 0 EHADRM Cc1cc(Nc2ccnn2Cc2ccccc2F)cc(C(=O)[O-])c1 ZINC001211537736 1024960333 /nfs/dbraw/zinc/96/03/33/1024960333.db2.gz YUFLSTWRXBZPBM-UHFFFAOYSA-N -1 0 325.343 3.821 20 0 EHADRM O=S(=O)([N-]c1cccc(O)c1)c1c(Cl)cc(F)cc1Cl ZINC000435502602 1024970386 /nfs/dbraw/zinc/97/03/86/1024970386.db2.gz SMTVFGJXUPTTQT-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM CCCc1nc(=NC(=O)N[C@H](C)c2cc3ccccc3o2)s[n-]1 ZINC000582031505 1025060682 /nfs/dbraw/zinc/06/06/82/1025060682.db2.gz MBTOOODVYHPMAV-SNVBAGLBSA-N -1 0 330.413 3.541 20 0 EHADRM c1ccc(COC[C@H](N=c2[n-]nc(C3CC3)o2)c2ccccc2)cc1 ZINC000342384550 1025127692 /nfs/dbraw/zinc/12/76/92/1025127692.db2.gz RWBNHYBDTIBDJH-SFHVURJKSA-N -1 0 335.407 3.739 20 0 EHADRM Cc1ccccc1SCC(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000520966536 1025142311 /nfs/dbraw/zinc/14/23/11/1025142311.db2.gz SFVMBJOLKYGOMO-UHFFFAOYSA-N -1 0 347.490 3.728 20 0 EHADRM CCOc1nc2cc(C(=O)Nc3cccc(Cl)c3[O-])ccc2[nH]1 ZINC000346823104 1025151292 /nfs/dbraw/zinc/15/12/92/1025151292.db2.gz BUQJNKLAVFDZFD-UHFFFAOYSA-N -1 0 331.759 3.573 20 0 EHADRM Cc1nc([C@@H]2CCCO2)sc1C(=O)Nc1cccc(Cl)c1[O-] ZINC000342400076 1025195439 /nfs/dbraw/zinc/19/54/39/1025195439.db2.gz AFNFCRQBZZHIPY-NSHDSACASA-N -1 0 338.816 3.914 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N(CCC)Cc2ccc(C)cc2)s1 ZINC000515382273 1025208408 /nfs/dbraw/zinc/20/84/08/1025208408.db2.gz JNFKQSYMGQIPFP-UHFFFAOYSA-N -1 0 332.473 3.665 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cn(C(C)C)cn2)cc(C)c1Cl ZINC000442217698 1025217866 /nfs/dbraw/zinc/21/78/66/1025217866.db2.gz BWDHNISGMBJUNZ-UHFFFAOYSA-N -1 0 327.837 3.535 20 0 EHADRM COc1ccc([C@@H]2CCCN2C(=O)CC2CCC(C(=O)[O-])CC2)cc1 ZINC000574522197 1033269039 /nfs/dbraw/zinc/26/90/39/1033269039.db2.gz QQMSXAJOANRFQT-PVARCSIZSA-N -1 0 345.439 3.640 20 0 EHADRM COc1ccc(-c2n[n-]c(=NCc3cc(C)c4ncccc4c3)o2)cc1 ZINC000436022779 1025306127 /nfs/dbraw/zinc/30/61/27/1025306127.db2.gz NCAXAAYKURJIBN-UHFFFAOYSA-N -1 0 346.390 3.636 20 0 EHADRM CCCC[C@H](NC(=O)N[C@H](C)c1oc2ccccc2c1C)C(=O)[O-] ZINC000521417004 1025378497 /nfs/dbraw/zinc/37/84/97/1025378497.db2.gz ISULNLOZYMQICM-OCCSQVGLSA-N -1 0 332.400 3.745 20 0 EHADRM CC(C)[C@H](NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000013468918 1025398001 /nfs/dbraw/zinc/39/80/01/1025398001.db2.gz HKOXDNJZGCZYFF-PZJWPPBQSA-N -1 0 339.435 3.933 20 0 EHADRM CCCOc1ccc(CNC(=O)CC2(CC(=O)[O-])CCCCC2)cc1 ZINC000515603579 1025398598 /nfs/dbraw/zinc/39/85/98/1025398598.db2.gz GBWGSBSSKWCNSR-UHFFFAOYSA-N -1 0 347.455 3.907 20 0 EHADRM CCn1ccnc1[C@H]1CCCCN1C(=O)c1ccc([O-])c(Cl)c1 ZINC000281707995 1025400999 /nfs/dbraw/zinc/40/09/99/1025400999.db2.gz HPFFEDWLMAVJQF-CQSZACIVSA-N -1 0 333.819 3.629 20 0 EHADRM O=S(=O)([N-]c1ccccc1OC1CCCC1)c1ccccc1F ZINC000515629939 1025423520 /nfs/dbraw/zinc/42/35/20/1025423520.db2.gz QDWSTJXEGHCZHH-UHFFFAOYSA-N -1 0 335.400 3.948 20 0 EHADRM COc1cccc2c1[C@H](C(=O)Nc1cc(F)cc(Cl)c1[O-])CC2 ZINC000347030095 1025425102 /nfs/dbraw/zinc/42/51/02/1025425102.db2.gz SZWQRSNQKMFNLY-LLVKDONJSA-N -1 0 335.762 3.862 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)cc1O ZINC000436161794 1025426824 /nfs/dbraw/zinc/42/68/24/1025426824.db2.gz CRKHTRKHDRPZOK-UHFFFAOYSA-N -1 0 329.830 3.568 20 0 EHADRM CCc1cc(=O)[nH]c(-c2ccc(N[C@H]3CCCc4cccnc43)nc2)n1 ZINC000896419995 1025430690 /nfs/dbraw/zinc/43/06/90/1025430690.db2.gz UPRYJSAHGXMPNL-INIZCTEOSA-N -1 0 347.422 3.691 20 0 EHADRM O=C([O-])CC1(CC(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)CCCCC1 ZINC000582159058 1025490945 /nfs/dbraw/zinc/49/09/45/1025490945.db2.gz GRYAATLQNGTOEO-JKSUJKDBSA-N -1 0 333.403 3.613 20 0 EHADRM Cc1nc(C)c(S(=O)(=O)[N-]c2ccccc2C(C)(F)F)s1 ZINC000451091914 1025534383 /nfs/dbraw/zinc/53/43/83/1025534383.db2.gz XIOCAEOAJWKFAH-UHFFFAOYSA-N -1 0 332.397 3.672 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N(C2CC2)[C@@H]2CCc3ccccc32)c1 ZINC000262278666 1025602106 /nfs/dbraw/zinc/60/21/06/1025602106.db2.gz ZDXMSHZLWCKMID-LJQANCHMSA-N -1 0 335.403 3.606 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)NC[C@H]1CCCc2ccccc21 ZINC000262278640 1025602421 /nfs/dbraw/zinc/60/24/21/1025602421.db2.gz ZDUBTTXCNHRCEG-QGZVFWFLSA-N -1 0 337.419 3.554 20 0 EHADRM CC(C)(CN=c1[n-]nc(-c2ccon2)s1)c1cccc(Cl)c1 ZINC000582232632 1025635517 /nfs/dbraw/zinc/63/55/17/1025635517.db2.gz DVDVUSQMVGPECN-UHFFFAOYSA-N -1 0 334.832 3.658 20 0 EHADRM CCCN(CCC)C(=O)N=c1[n-]nc(Cc2ccc(C)cc2)s1 ZINC000521748646 1025650143 /nfs/dbraw/zinc/65/01/43/1025650143.db2.gz YWZFWXJVTCOECH-UHFFFAOYSA-N -1 0 332.473 3.513 20 0 EHADRM CC(C)(C)CS(=O)(=O)[N-][C@H](c1cccc(F)c1F)C(F)(F)F ZINC000443041251 1025673808 /nfs/dbraw/zinc/67/38/08/1025673808.db2.gz FYSNXICGSYZGRL-LLVKDONJSA-N -1 0 345.333 3.534 20 0 EHADRM CCSCC[C@@H](C)NC(=O)N=c1[n-]nc(C(CC)CC)s1 ZINC000342465679 1025679311 /nfs/dbraw/zinc/67/93/11/1025679311.db2.gz GEKCZGCNCJJLLG-SNVBAGLBSA-N -1 0 330.523 3.517 20 0 EHADRM O=C([O-])C1(CC(=O)NCC2CCC(c3ccccc3)CC2)CCC1 ZINC000530381753 1025714535 /nfs/dbraw/zinc/71/45/35/1025714535.db2.gz JKWRCFQSPPIKDC-UHFFFAOYSA-N -1 0 329.440 3.722 20 0 EHADRM C[C@@H](CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1Cl)C(=O)[O-] ZINC000261936203 1025731080 /nfs/dbraw/zinc/73/10/80/1025731080.db2.gz KLWSUIFBPJIJMC-ZETCQYMHSA-N -1 0 338.713 3.543 20 0 EHADRM CCCC[C@H](NC(=O)COc1ccc(Cl)c2ccccc12)C(=O)[O-] ZINC000347253401 1025732146 /nfs/dbraw/zinc/73/21/46/1025732146.db2.gz BEOMKHJOJPWWMW-HNNXBMFYSA-N -1 0 349.814 3.632 20 0 EHADRM C[C@H](Oc1ccc(-c2ccccc2OC[C@@H]2CCOC2)cc1)C(=O)[O-] ZINC000521900401 1025755231 /nfs/dbraw/zinc/75/52/31/1025755231.db2.gz LQQHZUJZMCCRJH-LSDHHAIUSA-N -1 0 342.391 3.621 20 0 EHADRM Cn1cc(CN=c2[n-]nc(-c3ccccc3)o2)c(C2CCCCC2)n1 ZINC000436472713 1025764299 /nfs/dbraw/zinc/76/42/99/1025764299.db2.gz RLINVXDOUDHUAF-UHFFFAOYSA-N -1 0 337.427 3.552 20 0 EHADRM Cc1cc(F)ccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000436475507 1025769113 /nfs/dbraw/zinc/76/91/13/1025769113.db2.gz BQKPEZDAVIRWME-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM COC(=O)c1ccc(O)c(NC(=O)c2cccc3c(C)c(C)[nH]c32)c1 ZINC000436507934 1025797383 /nfs/dbraw/zinc/79/73/83/1025797383.db2.gz XTIHDECBFXZYFD-UHFFFAOYSA-N -1 0 338.363 3.529 20 0 EHADRM COc1ccc(C(=O)N2CC[C@@](F)(c3cc(C)cc(F)c3)C2)c(O)c1 ZINC000436512502 1025808463 /nfs/dbraw/zinc/80/84/63/1025808463.db2.gz KJUCPNDGHJUCCB-IBGZPJMESA-N -1 0 347.361 3.559 20 0 EHADRM CC(C)(C)c1cccc(OCCNC(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC000436521971 1025820203 /nfs/dbraw/zinc/82/02/03/1025820203.db2.gz IYRPXXCYTNQNRV-UHFFFAOYSA-N -1 0 349.377 3.777 20 0 EHADRM O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1cc(F)c([O-])c(F)c1 ZINC000436522971 1025824200 /nfs/dbraw/zinc/82/42/00/1025824200.db2.gz PDQANVUILDQRDZ-WPRPVWTQSA-N -1 0 337.288 3.769 20 0 EHADRM O=C(c1cc(Br)c(F)cc1[O-])N1CCCC2(CCC2)C1 ZINC000451323894 1025826203 /nfs/dbraw/zinc/82/62/03/1025826203.db2.gz WFKYKLYXSKJIGH-UHFFFAOYSA-N -1 0 342.208 3.700 20 0 EHADRM COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000436527552 1025832728 /nfs/dbraw/zinc/83/27/28/1025832728.db2.gz DBWVKYZPKFIWNR-KRWDZBQOSA-N -1 0 347.361 3.829 20 0 EHADRM Cc1cccc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2C)c1Cl ZINC000191105551 1025846478 /nfs/dbraw/zinc/84/64/78/1025846478.db2.gz AXELBGCBLDAALT-OAHLLOKOSA-N -1 0 331.799 3.903 20 0 EHADRM Cn1nc2c(c1NC(=O)c1cc(Cl)c3ccccc3c1[O-])CCC2 ZINC000436547155 1025852257 /nfs/dbraw/zinc/85/22/57/1025852257.db2.gz NDXPUAMNMSLURW-UHFFFAOYSA-N -1 0 341.798 3.673 20 0 EHADRM O=C(NCCc1ccncc1)c1cc(Cl)c2ccccc2c1[O-] ZINC000436556800 1025860503 /nfs/dbraw/zinc/86/05/03/1025860503.db2.gz MAUDMMIEGJCMSJ-UHFFFAOYSA-N -1 0 326.783 3.566 20 0 EHADRM O=C(NCC1CCOCC1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436543101 1025875865 /nfs/dbraw/zinc/87/58/65/1025875865.db2.gz JWPAKZAQHBBYPI-UHFFFAOYSA-N -1 0 345.826 3.869 20 0 EHADRM Cc1nc(CCNC(=O)c2cc3ccccc3cc2O)sc1C ZINC000436595696 1025914575 /nfs/dbraw/zinc/91/45/75/1025914575.db2.gz JHQCYPRAICUBBA-UHFFFAOYSA-N -1 0 326.421 3.591 20 0 EHADRM CC[C@@H]1CO[C@@H](C)CN1C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436580150 1025920985 /nfs/dbraw/zinc/92/09/85/1025920985.db2.gz AJFQKHXLDJMRJM-NWDGAFQWSA-N -1 0 333.815 3.838 20 0 EHADRM Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)ccc1C(=O)[O-] ZINC000324496972 1025923448 /nfs/dbraw/zinc/92/34/48/1025923448.db2.gz MWRGNJVCZNIBPC-UHFFFAOYSA-N -1 0 347.436 3.792 20 0 EHADRM CCC[C@H](CC1CCCC1)C(=O)N=c1nc([C@H](C)OC)[n-]s1 ZINC000511100204 1025924313 /nfs/dbraw/zinc/92/43/13/1025924313.db2.gz IVYALSWNXKPORW-WCQYABFASA-N -1 0 325.478 3.603 20 0 EHADRM C[C@H]1CCC[C@H](C)N(C(=O)c2ccc(Br)cc2O)C1 ZINC000436589029 1025926966 /nfs/dbraw/zinc/92/69/66/1025926966.db2.gz JKKLOGMWAXDBGT-QWRGUYRKSA-N -1 0 326.234 3.805 20 0 EHADRM CN(Cc1cccn1C)C(=O)c1cc(CCc2ccccc2)ccc1O ZINC000436588339 1025927349 /nfs/dbraw/zinc/92/73/49/1025927349.db2.gz MLQUWWUJJCAXBX-UHFFFAOYSA-N -1 0 348.446 3.788 20 0 EHADRM CSC[C@H]1CCCN(c2nc3ccccc3c(C)c2C(=O)[O-])C1 ZINC000522059957 1025928027 /nfs/dbraw/zinc/92/80/27/1025928027.db2.gz DQDIEBUMABIAEV-ZDUSSCGKSA-N -1 0 330.453 3.821 20 0 EHADRM Cc1nccn1-c1ccc([C@H](C)NC(=O)c2ccc(F)cc2[O-])cc1 ZINC000436591047 1025929730 /nfs/dbraw/zinc/92/97/30/1025929730.db2.gz VHHCQZZVFMMKKH-LBPRGKRZSA-N -1 0 339.370 3.516 20 0 EHADRM Cc1cc(Nc2ccccc2S(=O)(=O)C(C)C)cc(C(=O)[O-])c1 ZINC001211542242 1025934714 /nfs/dbraw/zinc/93/47/14/1025934714.db2.gz DYYGNIWYNNZSLN-UHFFFAOYSA-N -1 0 333.409 3.619 20 0 EHADRM O=C(Nc1cnn(-c2ccccc2)c1)c1cc(F)cc(Cl)c1[O-] ZINC000436634095 1025961772 /nfs/dbraw/zinc/96/17/72/1025961772.db2.gz JKOJOROYIHNTFJ-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM O=C(NCc1nc2ccccc2s1)c1cc(F)cc(Cl)c1[O-] ZINC000436636352 1025966421 /nfs/dbraw/zinc/96/64/21/1025966421.db2.gz PXTPEMNFEYHHKH-UHFFFAOYSA-N -1 0 336.775 3.724 20 0 EHADRM CC(C)(C)c1csc(CNC(=O)c2cc(F)cc(Cl)c2[O-])n1 ZINC000436636687 1025967532 /nfs/dbraw/zinc/96/75/32/1025967532.db2.gz ZUHIZQJDHBXGLX-UHFFFAOYSA-N -1 0 342.823 3.869 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CCC(=O)c2ccc(C)cc2)c1 ZINC000436652353 1025980358 /nfs/dbraw/zinc/98/03/58/1025980358.db2.gz MJKXNHDFSKPIPJ-UHFFFAOYSA-N -1 0 339.391 3.895 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(NC(C)=O)ccc2C)c1 ZINC000436645931 1025993086 /nfs/dbraw/zinc/99/30/86/1025993086.db2.gz FMMOUAXWGHCWFU-UHFFFAOYSA-N -1 0 340.379 3.504 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CCc2ccc(OC)c(F)c2)c1 ZINC000436648554 1026000497 /nfs/dbraw/zinc/00/04/97/1026000497.db2.gz MVKBATJLCDKCOU-UHFFFAOYSA-N -1 0 345.370 3.704 20 0 EHADRM CCc1ccccc1[N-]S(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000443413671 1026014644 /nfs/dbraw/zinc/01/46/44/1026014644.db2.gz NARFYBTUTQTFEY-UHFFFAOYSA-N -1 0 331.437 3.763 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccc(-c3cnco3)cc2)c1 ZINC000436658778 1026019134 /nfs/dbraw/zinc/01/91/34/1026019134.db2.gz OYGUBLDTBKGJBA-UHFFFAOYSA-N -1 0 336.347 3.892 20 0 EHADRM CCc1nnc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)s1 ZINC000030038946 1026026117 /nfs/dbraw/zinc/02/61/17/1026026117.db2.gz UEPWQNOKZJQJRR-UHFFFAOYSA-N -1 0 334.788 3.661 20 0 EHADRM O=C(Nc1ccc(-n2cccn2)c(F)c1)c1ccc([O-])c(Cl)c1 ZINC000436675435 1026026391 /nfs/dbraw/zinc/02/63/91/1026026391.db2.gz YNZYSDJWTJMVGX-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cc(C)ccc2Br)c1 ZINC000436679608 1026030272 /nfs/dbraw/zinc/03/02/72/1026030272.db2.gz LCAXFNMPDRDQID-UHFFFAOYSA-N -1 0 348.196 3.918 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2ccc(N3CCCC3)c(F)c2)c1 ZINC000436682393 1026036986 /nfs/dbraw/zinc/03/69/86/1026036986.db2.gz VGXSFUKWVQBMMH-UHFFFAOYSA-N -1 0 342.370 3.586 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(F)cc(Cl)c2[O-])Cc2ccccc2O1 ZINC000436688843 1026046292 /nfs/dbraw/zinc/04/62/92/1026046292.db2.gz PAVWFOUHIXPBJG-JTQLQIEISA-N -1 0 335.762 3.608 20 0 EHADRM CC[C@H](C(=O)[N-]OCc1ccccn1)c1cccc(C(F)(F)F)c1 ZINC000909535358 1026066973 /nfs/dbraw/zinc/06/69/73/1026066973.db2.gz MHTVMZZTRODQGW-HNNXBMFYSA-N -1 0 338.329 3.842 20 0 EHADRM O=C([O-])C1(CC(=O)NCc2ccccc2C(F)(F)F)CCCCC1 ZINC000324650144 1026072741 /nfs/dbraw/zinc/07/27/41/1026072741.db2.gz BYSYQEWEZAXLQJ-UHFFFAOYSA-N -1 0 343.345 3.747 20 0 EHADRM C[C@@H](N=c1[n-]nc(C(C)(C)C)s1)c1ccc(-n2cccn2)c(F)c1 ZINC000436713426 1026081024 /nfs/dbraw/zinc/08/10/24/1026081024.db2.gz FIXIRVSOYNOSQF-LLVKDONJSA-N -1 0 345.447 3.755 20 0 EHADRM O=S(=O)([N-][C@H]1CCC[C@H]1F)c1c(Cl)cccc1C(F)(F)F ZINC000549983559 1026085877 /nfs/dbraw/zinc/08/58/77/1026085877.db2.gz SLIPYYNSQGOHSK-ZJUUUORDSA-N -1 0 345.745 3.528 20 0 EHADRM CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000436716084 1026086147 /nfs/dbraw/zinc/08/61/47/1026086147.db2.gz RTQHKASSVNNWII-QLJPJBMISA-N -1 0 337.778 3.691 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000262420354 1026092095 /nfs/dbraw/zinc/09/20/95/1026092095.db2.gz QWJANULARUMCFN-QGZVFWFLSA-N -1 0 341.407 3.808 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000262420351 1026093922 /nfs/dbraw/zinc/09/39/22/1026093922.db2.gz QWJANULARUMCFN-KRWDZBQOSA-N -1 0 341.407 3.808 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000436740896 1026109872 /nfs/dbraw/zinc/10/98/72/1026109872.db2.gz TUXPSFGBXOCSNM-QGZVFWFLSA-N -1 0 339.288 3.520 20 0 EHADRM Cc1cc(NC(=O)c2ccc([O-])c(Cl)c2)nn1-c1ccc(C)cc1 ZINC000436742741 1026112433 /nfs/dbraw/zinc/11/24/33/1026112433.db2.gz XQAQDXYMACEGPY-UHFFFAOYSA-N -1 0 341.798 3.522 20 0 EHADRM CCC1(CC)[C@H](N(C)C(=O)c2ccc([O-])c(Cl)c2)C[C@@H]1OC ZINC000436727288 1026117290 /nfs/dbraw/zinc/11/72/90/1026117290.db2.gz YMTPFRXGTHIFCE-CABCVRRESA-N -1 0 325.836 3.711 20 0 EHADRM Cc1ccc(C(=O)NCc2ccnc(OCc3ccccc3)c2)c(O)c1 ZINC000436730864 1026120445 /nfs/dbraw/zinc/12/04/45/1026120445.db2.gz MZJIVPQOIVSLMD-UHFFFAOYSA-N -1 0 348.402 3.605 20 0 EHADRM O=C(NC[C@@H]1CCO[C@@H]1c1ccccc1)c1cc(F)cc(Cl)c1[O-] ZINC000436731876 1026123447 /nfs/dbraw/zinc/12/34/47/1026123447.db2.gz RBZSHGRZSOMQRT-YVEFUNNKSA-N -1 0 349.789 3.692 20 0 EHADRM COc1ccccc1CN(C)C(=O)c1c([O-])cc(Cl)cc1Cl ZINC000436754192 1026142283 /nfs/dbraw/zinc/14/22/83/1026142283.db2.gz HMRQYRXJSFNSGJ-UHFFFAOYSA-N -1 0 340.206 3.980 20 0 EHADRM C[C@H](C(=O)[O-])N(C)C(=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC000342541151 1026191707 /nfs/dbraw/zinc/19/17/07/1026191707.db2.gz FOUUAKSOAOPGMB-SECBINFHSA-N -1 0 346.433 3.570 20 0 EHADRM CC[C@H](NC(=O)CC1(C(=O)[O-])CCC1)c1ccccc1OC(F)F ZINC000262437770 1026250858 /nfs/dbraw/zinc/25/08/58/1026250858.db2.gz CJJYLJDPDNGRPH-LBPRGKRZSA-N -1 0 341.354 3.500 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000634822433 1026292716 /nfs/dbraw/zinc/29/27/16/1026292716.db2.gz VZEAKTVOTBATKN-CVEARBPZSA-N -1 0 325.364 3.837 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cnn(C3CCCC3)c2C)cc1 ZINC000277610095 1026296685 /nfs/dbraw/zinc/29/66/85/1026296685.db2.gz NKVCKRLPFRGQDW-UHFFFAOYSA-N -1 0 333.457 3.670 20 0 EHADRM CCO[C@@H](CNC(=O)c1cc(F)c([O-])c(Cl)c1)c1ccccc1 ZINC000192768871 1026340542 /nfs/dbraw/zinc/34/05/42/1026340542.db2.gz LULQYNNDSZOJML-HNNXBMFYSA-N -1 0 337.778 3.692 20 0 EHADRM COc1ccc(CNc2cc(C(=O)[O-])ccc2C)cc1OC(F)F ZINC000324938892 1026505739 /nfs/dbraw/zinc/50/57/39/1026505739.db2.gz ZTFSQJDXUUFJSZ-UHFFFAOYSA-N -1 0 337.322 3.915 20 0 EHADRM COc1ccc(CC[C@H](C)NC(=O)c2cc(O)ccc2Cl)cc1 ZINC000277762953 1026835367 /nfs/dbraw/zinc/83/53/67/1026835367.db2.gz SKMGFXFWJIYTEH-LBPRGKRZSA-N -1 0 333.815 3.805 20 0 EHADRM O=S(=O)([N-]c1cccnc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000342724134 1026853560 /nfs/dbraw/zinc/85/35/60/1026853560.db2.gz JDWZDJOLRZBIOM-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM CC[C@H]1C[C@H](C)CN1C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000531464255 1026943731 /nfs/dbraw/zinc/94/37/31/1026943731.db2.gz WBQCDSNNUQYWOB-HOCLYGCPSA-N -1 0 341.455 3.962 20 0 EHADRM CCCN(C(=O)N[C@H](CC)c1cccc(Cl)c1)[C@H](C)C(=O)[O-] ZINC000560485667 1026995482 /nfs/dbraw/zinc/99/54/82/1026995482.db2.gz CDBNRAMCFUYXFO-BXUZGUMPSA-N -1 0 326.824 3.686 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N2Cc3ccc(C)cc3C2)s1 ZINC000431477383 1027045589 /nfs/dbraw/zinc/04/55/89/1027045589.db2.gz MASXJWBZGOMWIG-UHFFFAOYSA-N -1 0 330.457 3.720 20 0 EHADRM CCSc1cccc(CN=c2[n-]nc(-c3ccccc3OC)o2)c1 ZINC000428346233 1027048785 /nfs/dbraw/zinc/04/87/85/1027048785.db2.gz DWFQHCCLUUUOPL-UHFFFAOYSA-N -1 0 341.436 3.891 20 0 EHADRM CO[C@@H](CNC(=O)c1ccc([O-])c(Cl)c1)c1ccc(Cl)cc1 ZINC000075317588 1027125075 /nfs/dbraw/zinc/12/50/75/1027125075.db2.gz ZMMKQVWJJMJKBT-HNNXBMFYSA-N -1 0 340.206 3.817 20 0 EHADRM COc1c(C)ccc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)c1C ZINC000027057275 1027198992 /nfs/dbraw/zinc/19/89/92/1027198992.db2.gz GEKUAQDJFFVPRY-OAHLLOKOSA-N -1 0 327.380 3.509 20 0 EHADRM CC(C)C[C@@H](NC(=O)Cc1coc2ccc3ccccc3c12)C(=O)[O-] ZINC000531745807 1027300103 /nfs/dbraw/zinc/30/01/03/1027300103.db2.gz NLMYBZBXTSLEIN-MRXNPFEDSA-N -1 0 339.391 3.744 20 0 EHADRM C[C@H](CC(=O)NCc1c(C(=O)[O-])sc2ccsc21)n1cccc1 ZINC000531751390 1027313266 /nfs/dbraw/zinc/31/32/66/1027313266.db2.gz HLVMIQQOJVMQDC-SNVBAGLBSA-N -1 0 348.449 3.730 20 0 EHADRM C[C@@H](CC(=O)NCc1c(C(=O)[O-])sc2ccsc21)n1cccc1 ZINC000531751389 1027314634 /nfs/dbraw/zinc/31/46/34/1027314634.db2.gz HLVMIQQOJVMQDC-JTQLQIEISA-N -1 0 348.449 3.730 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)c2ccccc2OC2CCCCC2)C1 ZINC000414440958 1027337953 /nfs/dbraw/zinc/33/79/53/1027337953.db2.gz NGGMZDLEVYFDBT-FQEVSTJZSA-N -1 0 345.439 3.725 20 0 EHADRM CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000414446849 1027419117 /nfs/dbraw/zinc/41/91/17/1027419117.db2.gz JTPIXERIALAFQF-DVOMOZLQSA-N -1 0 337.847 3.996 20 0 EHADRM CC(C)(CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)C(=O)[O-] ZINC000320938544 1027604707 /nfs/dbraw/zinc/60/47/07/1027604707.db2.gz IBPGLXQRKYQIAD-HNNXBMFYSA-N -1 0 335.400 3.594 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)CCc2ccc(-c3ccccc3)o2)C1 ZINC000414460717 1027626133 /nfs/dbraw/zinc/62/61/33/1027626133.db2.gz YDEAICWGCBFFKT-FQEVSTJZSA-N -1 0 341.407 3.593 20 0 EHADRM O=C(N=c1cccn[n-]1)N[C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000434124696 1027626210 /nfs/dbraw/zinc/62/62/10/1027626210.db2.gz KIBLEGOTNIIJJS-INIZCTEOSA-N -1 0 330.819 3.605 20 0 EHADRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000088346459 1027640702 /nfs/dbraw/zinc/64/07/02/1027640702.db2.gz OYWBAEYEOSUOIA-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CC[C@H]1CN(C(=O)CC2(C(=O)[O-])CCC2)CC[C@H]1c1ccccc1 ZINC000262526653 1027655595 /nfs/dbraw/zinc/65/55/95/1027655595.db2.gz OUSQMJWBFJLVGO-DOTOQJQBSA-N -1 0 329.440 3.674 20 0 EHADRM C[C@@H]1C[C@@H]1[C@@H](NC(=O)CC1(C(=O)[O-])CCC1)c1ccc(Cl)cc1 ZINC000262528359 1027686508 /nfs/dbraw/zinc/68/65/08/1027686508.db2.gz PBDFQHUNGKGDLA-WPGHFRTFSA-N -1 0 335.831 3.798 20 0 EHADRM CCc1ccc([C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C(C)C)cc1 ZINC000665818842 1027708635 /nfs/dbraw/zinc/70/86/35/1027708635.db2.gz VIEOKMUGAJWSCS-MRXNPFEDSA-N -1 0 339.395 3.618 20 0 EHADRM CCOc1cccc2cc([C@@H](C)NC(=O)CC3(C(=O)[O-])CCC3)oc21 ZINC000262544952 1027864956 /nfs/dbraw/zinc/86/49/56/1027864956.db2.gz RTPHFRGFVFGSBP-GFCCVEGCSA-N -1 0 345.395 3.654 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CN(C(=O)CC2(C(=O)[O-])CCC2)C2CC2)o1 ZINC000262550056 1027944524 /nfs/dbraw/zinc/94/45/24/1027944524.db2.gz SWAHWPDWSPIVSS-WFASDCNBSA-N -1 0 331.412 3.539 20 0 EHADRM O=C([O-])C1CCN(C(=O)c2ccc(-c3ccc(F)cc3F)cc2)CC1 ZINC000582857511 1028030748 /nfs/dbraw/zinc/03/07/48/1028030748.db2.gz SBUXQKLRKQTCTN-UHFFFAOYSA-N -1 0 345.345 3.569 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(-c3ncco3)ccc2C)c1 ZINC000134689117 1028141116 /nfs/dbraw/zinc/14/11/16/1028141116.db2.gz KWSDFPWSWKQSAW-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM CC[C@H]1CN(C(=O)N=c2cc(C)c(C)n[n-]2)CC[C@H]1c1ccccc1 ZINC000467490415 1028143366 /nfs/dbraw/zinc/14/33/66/1028143366.db2.gz PHEQORLHOYQPLK-FUHWJXTLSA-N -1 0 338.455 3.563 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)nn1C(C)C ZINC000421178560 1028155870 /nfs/dbraw/zinc/15/58/70/1028155870.db2.gz XRDFHUJETPYUQM-UHFFFAOYSA-N -1 0 348.255 3.880 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000237130951 1028162962 /nfs/dbraw/zinc/16/29/62/1028162962.db2.gz NJSQIOZCNICHRL-QGZVFWFLSA-N -1 0 335.400 3.927 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccnn2-c2cccc(Cl)c2)c1 ZINC000503916939 1028207500 /nfs/dbraw/zinc/20/75/00/1028207500.db2.gz SELGDZPAZMSXRM-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM CC(=O)N1CCc2ccc(Nc3cc(Cl)cc(C(=O)[O-])c3)cc21 ZINC001211965106 1028271445 /nfs/dbraw/zinc/27/14/45/1028271445.db2.gz OMVUDPYAJGOMND-UHFFFAOYSA-N -1 0 330.771 3.691 20 0 EHADRM Nc1c(F)c(F)c(Nc2cc(Cl)cc(C(=O)[O-])c2)c(F)c1F ZINC001211967208 1028335250 /nfs/dbraw/zinc/33/52/50/1028335250.db2.gz WHLASVUNDYKWPC-UHFFFAOYSA-N -1 0 334.656 3.920 20 0 EHADRM Cc1cc(C)cc([C@H](C)NC(=O)N=c2[n-]nc(-c3ccco3)s2)c1 ZINC000504069618 1028379844 /nfs/dbraw/zinc/37/98/44/1028379844.db2.gz NXYMDJJGRZKOII-LBPRGKRZSA-N -1 0 342.424 3.720 20 0 EHADRM CC(C)OCc1cccc(NC(=O)N=c2[n-]nc(C(C)(C)C)s2)c1 ZINC000502587688 1028383627 /nfs/dbraw/zinc/38/36/27/1028383627.db2.gz VIPWNSDGOKORIJ-UHFFFAOYSA-N -1 0 348.472 3.827 20 0 EHADRM CCCOc1ccccc1NC(=O)N=c1[n-]nc(C(C)(C)C)s1 ZINC000502584062 1028404560 /nfs/dbraw/zinc/40/45/60/1028404560.db2.gz GYKOATRZOCFBMN-UHFFFAOYSA-N -1 0 334.445 3.690 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000261887344 1028425883 /nfs/dbraw/zinc/42/58/83/1028425883.db2.gz NIGHLXQWYMFSAQ-GFCCVEGCSA-N -1 0 333.359 3.597 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)c1cc(F)c(Cl)cc1Cl)C(=O)[O-] ZINC000401349485 1028426192 /nfs/dbraw/zinc/42/61/92/1028426192.db2.gz OQPWLSRIUUWXGI-NSHDSACASA-N -1 0 336.190 3.752 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cc1O)c1ccc2ccccc2c1 ZINC000513812241 1028501733 /nfs/dbraw/zinc/50/17/33/1028501733.db2.gz HNAAVBVYHVORBP-UHFFFAOYSA-N -1 0 333.796 4.000 20 0 EHADRM CC[C@](CC(=O)[O-])(C(=O)N[C@@H](C)CC(F)(F)F)c1ccc(C)cc1 ZINC000634829808 1028522381 /nfs/dbraw/zinc/52/23/81/1028522381.db2.gz HAUABIFYOIKGNQ-BLLLJJGKSA-N -1 0 345.361 3.575 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000236609120 1028559624 /nfs/dbraw/zinc/55/96/24/1028559624.db2.gz QXYZDXUDDYBFGE-BZPMIXESSA-N -1 0 344.238 3.712 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000236677873 1028561527 /nfs/dbraw/zinc/56/15/27/1028561527.db2.gz DCHBQXMKGSMKPU-NEPJUHHUSA-N -1 0 344.238 3.666 20 0 EHADRM CCCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2C)cc1 ZINC000236915510 1028604452 /nfs/dbraw/zinc/60/44/52/1028604452.db2.gz YIWCVQDELSXPAY-GOSISDBHSA-N -1 0 325.408 3.893 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)C/C=C/c1cccc(F)c1 ZINC000237643552 1028658449 /nfs/dbraw/zinc/65/84/49/1028658449.db2.gz OKXMMTVNVQVDEY-MOTZXUDYSA-N -1 0 341.382 3.870 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCC(c3c[nH]c4ccccc43)CC2)c1 ZINC000238063067 1028675771 /nfs/dbraw/zinc/67/57/71/1028675771.db2.gz UIWUMXBETZCCGJ-UHFFFAOYSA-N -1 0 348.402 3.886 20 0 EHADRM CCN(Cc1cccc(NC(=O)c2ccc([O-])c(Cl)c2)c1)C(C)=O ZINC000031591019 1028678430 /nfs/dbraw/zinc/67/84/30/1028678430.db2.gz WZBRONPSYHACBQ-UHFFFAOYSA-N -1 0 346.814 3.666 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2cc3cc(Cl)ccc3s2)C1 ZINC000659761646 1028683062 /nfs/dbraw/zinc/68/30/62/1028683062.db2.gz CZRJYRRKZOQNGK-JTQLQIEISA-N -1 0 337.828 3.882 20 0 EHADRM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1ccc[nH]c1=O ZINC000343033495 1028720632 /nfs/dbraw/zinc/72/06/32/1028720632.db2.gz UTDGSTSYLPXONQ-UHFFFAOYSA-N -1 0 333.558 3.705 20 0 EHADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000016101419 1028723197 /nfs/dbraw/zinc/72/31/97/1028723197.db2.gz JEZPFJOZRWKLKJ-UHFFFAOYSA-N -1 0 332.208 3.803 20 0 EHADRM O=C([O-])[C@H](NCc1cnc(C2CC2)s1)c1ccc(Cl)c(F)c1 ZINC000583073096 1028751511 /nfs/dbraw/zinc/75/15/11/1028751511.db2.gz AJTOZKJSBBBDJU-CYBMUJFWSA-N -1 0 340.807 3.729 20 0 EHADRM C[C@H](O[C@@H](C)C(=O)Nc1ccc(SC2CCCC2)cc1)C(=O)[O-] ZINC000421802135 1028790189 /nfs/dbraw/zinc/79/01/89/1028790189.db2.gz GHSSFABWESTEIS-RYUDHWBXSA-N -1 0 337.441 3.538 20 0 EHADRM Oc1ccc(-c2noc(Cc3ccc(OC(F)F)cc3)n2)c(F)c1 ZINC000445460448 1028829072 /nfs/dbraw/zinc/82/90/72/1028829072.db2.gz AQCWKVBOLAISQG-UHFFFAOYSA-N -1 0 336.269 3.774 20 0 EHADRM Oc1ccc(-c2noc(COC/C=C\c3ccccc3)n2)c(F)c1 ZINC000445462624 1028832372 /nfs/dbraw/zinc/83/23/72/1028832372.db2.gz LSCKMPIRHOGSDX-DAXSKMNVSA-N -1 0 326.327 3.811 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)c1Cl ZINC000424216466 1028908464 /nfs/dbraw/zinc/90/84/64/1028908464.db2.gz SUXAOKDHXZYVPB-LURJTMIESA-N -1 0 336.162 3.531 20 0 EHADRM COCC[C@@H](N=c1[n-]nc(C)s1)c1ccc(Cl)c(Cl)c1 ZINC000343065181 1028922296 /nfs/dbraw/zinc/92/22/96/1028922296.db2.gz SLAVGZGANGARHU-GFCCVEGCSA-N -1 0 332.256 3.765 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N[C@H]2CCc3ccccc3C2)s1 ZINC000503030845 1028989524 /nfs/dbraw/zinc/98/95/24/1028989524.db2.gz KIZYVMYZDXQVGG-HNNXBMFYSA-N -1 0 344.484 3.543 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N[C@H](c2ccc(C)cc2)C2CC2)s1 ZINC000503051072 1028997922 /nfs/dbraw/zinc/99/79/22/1028997922.db2.gz FOLUFTBPTUCFFR-MRXNPFEDSA-N -1 0 344.484 3.884 20 0 EHADRM CCC(CC)(CC(=O)NCc1ccc(F)cc1CSC)C(=O)[O-] ZINC000445647296 1029035224 /nfs/dbraw/zinc/03/52/24/1029035224.db2.gz IZCQNXBACOAKPG-UHFFFAOYSA-N -1 0 341.448 3.586 20 0 EHADRM COc1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000424425727 1029047394 /nfs/dbraw/zinc/04/73/94/1029047394.db2.gz ZJMVIOSHVMKLMT-ZANVPECISA-N -1 0 332.227 3.687 20 0 EHADRM CCN(C(=O)NCC(CC)(CC)C(=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000424417167 1029060920 /nfs/dbraw/zinc/06/09/20/1029060920.db2.gz WKEWQHBAHJCTPW-ZDUSSCGKSA-N -1 0 338.423 3.809 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N[C@@H](C)c2cc3ccccc3o2)s1 ZINC000503119845 1029066542 /nfs/dbraw/zinc/06/65/42/1029066542.db2.gz PCQCMROGSWHXMS-NSHDSACASA-N -1 0 344.440 3.932 20 0 EHADRM CCC(CC)(CNC(=O)NC1(c2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC000424433362 1029077079 /nfs/dbraw/zinc/07/70/79/1029077079.db2.gz RRANWCJIYYEZQK-UHFFFAOYSA-N -1 0 338.835 3.519 20 0 EHADRM CSc1ccccc1[C@H](C)NC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000424452611 1029087761 /nfs/dbraw/zinc/08/77/61/1029087761.db2.gz QCJVTZZPEPHIFU-STQMWFEESA-N -1 0 338.473 3.516 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)c(C(=O)[O-])c1 ZINC000544406931 1029206493 /nfs/dbraw/zinc/20/64/93/1029206493.db2.gz UGYLGUDWLGKKTN-OLZOCXBDSA-N -1 0 331.318 3.714 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)NCCCCCCCC(=O)[O-])s1 ZINC000271974082 1029254306 /nfs/dbraw/zinc/25/43/06/1029254306.db2.gz SKPNRUCGNWULJD-UHFFFAOYSA-N -1 0 349.399 3.813 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H]1C(=O)N1Cc2ccccc2-c2ccccc2C1 ZINC000634878254 1029279331 /nfs/dbraw/zinc/27/93/31/1029279331.db2.gz HHJOAXGORVTGLI-RTBURBONSA-N -1 0 335.403 3.697 20 0 EHADRM Cc1ccccc1OCCCNC(=O)c1c(C)ccc(C)c1C(=O)[O-] ZINC000634878077 1029290602 /nfs/dbraw/zinc/29/06/02/1029290602.db2.gz CPZOLTKPZXOYOV-UHFFFAOYSA-N -1 0 341.407 3.509 20 0 EHADRM CCc1ccc([C@H]2CCCN2C(=O)c2cc(C(=O)[O-])c(CC)o2)o1 ZINC000261628860 1029463026 /nfs/dbraw/zinc/46/30/26/1029463026.db2.gz JDJGFCZHJHPVDE-CYBMUJFWSA-N -1 0 331.368 3.673 20 0 EHADRM CCc1oc(C(=O)N2C[C@H](c3ccccc3C)C[C@@H]2C)cc1C(=O)[O-] ZINC000261642145 1029466509 /nfs/dbraw/zinc/46/65/09/1029466509.db2.gz LBLZYZKLPSLSIG-UONOGXRCSA-N -1 0 341.407 3.867 20 0 EHADRM O=C(N[C@@H]1C[C@H]1Cc1ccccc1)c1cccc(Br)c1[O-] ZINC000524737047 1029475081 /nfs/dbraw/zinc/47/50/81/1029475081.db2.gz CBCFBHDWAFNVAJ-IUODEOHRSA-N -1 0 346.224 3.516 20 0 EHADRM CCc1oc(C(=O)N2CCC[C@@H]2Cc2ccc(C)cc2)cc1C(=O)[O-] ZINC000261620414 1029475440 /nfs/dbraw/zinc/47/54/40/1029475440.db2.gz HQUAPDPANZPVFK-OAHLLOKOSA-N -1 0 341.407 3.696 20 0 EHADRM CCc1oc(C(=O)N2CCCCC[C@H]2c2ccco2)cc1C(=O)[O-] ZINC000261617944 1029476606 /nfs/dbraw/zinc/47/66/06/1029476606.db2.gz HDPMPOBIVZIMEF-ZDUSSCGKSA-N -1 0 331.368 3.891 20 0 EHADRM Cc1csc(-c2cccc(C(=O)NCc3ccc(O)c(F)c3)c2)n1 ZINC000155274606 1029492609 /nfs/dbraw/zinc/49/26/09/1029492609.db2.gz HAHRXJBFGYHCHK-UHFFFAOYSA-N -1 0 342.395 3.893 20 0 EHADRM CCOc1ccccc1C1=CCN(C(=O)c2cc(F)ccc2O)CC1 ZINC000080022220 1029522532 /nfs/dbraw/zinc/52/25/32/1029522532.db2.gz XZOGTPLILRQVGN-UHFFFAOYSA-N -1 0 341.382 3.860 20 0 EHADRM O=S(=O)([N-]c1ccccc1)c1cc(F)c(Br)cc1F ZINC000535988316 1029569471 /nfs/dbraw/zinc/56/94/71/1029569471.db2.gz CPBRHYXVZGWNSG-UHFFFAOYSA-N -1 0 348.168 3.528 20 0 EHADRM Cc1ccc(C[C@H](C)N(C)C(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000262299178 1029582635 /nfs/dbraw/zinc/58/26/35/1029582635.db2.gz AAHJLWQOVCRCCB-ZDUSSCGKSA-N -1 0 329.371 3.536 20 0 EHADRM CC(C)(C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1)C1CCCC1 ZINC000262851362 1029644847 /nfs/dbraw/zinc/64/48/47/1029644847.db2.gz HVZYEVRIWMPBOC-SJORKVTESA-N -1 0 329.440 3.530 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000263018535 1029656248 /nfs/dbraw/zinc/65/62/48/1029656248.db2.gz ISKJOXHHNZNYCV-UHFFFAOYSA-N -1 0 346.349 3.946 20 0 EHADRM CC1(C)CN(C(=O)CC2(C(=O)[O-])CCCCC2)CC[C@H]1C(F)(F)F ZINC000634920438 1029656552 /nfs/dbraw/zinc/65/65/52/1029656552.db2.gz JUQVXYUUOLVBLF-GFCCVEGCSA-N -1 0 349.393 3.849 20 0 EHADRM Cc1cc2ccccc2c(NC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c1 ZINC000263020946 1029656727 /nfs/dbraw/zinc/65/67/27/1029656727.db2.gz JFANOXGDRHNLNB-MGPUTAFESA-N -1 0 338.407 3.867 20 0 EHADRM CCN(Cc1c[nH]c2ccccc12)C(=O)CC1(CC(=O)[O-])CCC1 ZINC000634920318 1029656738 /nfs/dbraw/zinc/65/67/38/1029656738.db2.gz HSPSRDAFZSANIB-UHFFFAOYSA-N -1 0 328.412 3.552 20 0 EHADRM CC(C)Oc1ccc(NC(=O)NC(C)(C)CCC(=O)[O-])c(Cl)c1 ZINC000263007374 1029657150 /nfs/dbraw/zinc/65/71/50/1029657150.db2.gz HCJSEVDRWDWQNW-UHFFFAOYSA-N -1 0 342.823 3.892 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)C(C)(C)c2ccc(F)cc2)cc1 ZINC000263050181 1029660412 /nfs/dbraw/zinc/66/04/12/1029660412.db2.gz DWBUGJWBBALEOJ-GFCCVEGCSA-N -1 0 329.371 3.930 20 0 EHADRM CCC(CC)c1cc(C(=O)Nc2cc(COC)cc(C(=O)[O-])c2)on1 ZINC000263114756 1029667051 /nfs/dbraw/zinc/66/70/51/1029667051.db2.gz QJPJVURYZGFTKG-UHFFFAOYSA-N -1 0 346.383 3.675 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N3C[C@@H](C(=O)[O-])CC[C@H]3C)o2)cc1 ZINC000263143110 1029669012 /nfs/dbraw/zinc/66/90/12/1029669012.db2.gz GXHXEYRQFZWEAH-CJNGLKHVSA-N -1 0 341.407 3.834 20 0 EHADRM CC[C@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)CC[C@@H]1c1ccccc1 ZINC000263174612 1029671248 /nfs/dbraw/zinc/67/12/48/1029671248.db2.gz GKJWBJBMKNKKHN-RANZSIQMSA-N -1 0 329.440 3.530 20 0 EHADRM CCC[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000263257316 1029681366 /nfs/dbraw/zinc/68/13/66/1029681366.db2.gz VYCLGGFSTQONLW-FGTMMUONSA-N -1 0 325.408 3.560 20 0 EHADRM CC(C)c1ccc(CCC(=O)NCc2ccc(C(=O)[O-])s2)cc1 ZINC000263284171 1029683619 /nfs/dbraw/zinc/68/36/19/1029683619.db2.gz XSBBMLXHHVJEGP-UHFFFAOYSA-N -1 0 331.437 3.819 20 0 EHADRM Cc1ccc(NC(=O)c2nn(-c3cccc(C(C)C)c3)cc2[O-])nc1 ZINC000525104400 1029687109 /nfs/dbraw/zinc/68/71/09/1029687109.db2.gz AHZCBFDGMJAWPF-UHFFFAOYSA-N -1 0 336.395 3.657 20 0 EHADRM CCC(CC)n1ncc(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c1C ZINC000263337862 1029688869 /nfs/dbraw/zinc/68/88/69/1029688869.db2.gz REMDKPDPABSPFE-GFCCVEGCSA-N -1 0 343.427 3.993 20 0 EHADRM Cc1cccc([C@H]2CCCCCN2C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC000263353244 1029690392 /nfs/dbraw/zinc/69/03/92/1029690392.db2.gz WFGXGQQJWGLPHR-FGTMMUONSA-N -1 0 329.440 3.940 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C ZINC000263355243 1029690474 /nfs/dbraw/zinc/69/04/74/1029690474.db2.gz QQPSENQZXUEYAD-SRVKXCTJSA-N -1 0 341.860 3.532 20 0 EHADRM CC(C)Oc1ccccc1C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000263356858 1029690771 /nfs/dbraw/zinc/69/07/71/1029690771.db2.gz XHOHYRWBVXBQRR-CYBMUJFWSA-N -1 0 327.380 3.914 20 0 EHADRM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000263346448 1029690787 /nfs/dbraw/zinc/69/07/87/1029690787.db2.gz UFNSXGAXHWVFQY-BGTYHANMSA-N -1 0 329.440 3.796 20 0 EHADRM Cc1ccc([C@@H]2CCCN2Cc2c([O-])nnn2-c2ccccc2)s1 ZINC000114708383 1029692851 /nfs/dbraw/zinc/69/28/51/1029692851.db2.gz NLJUCORGQQOSHW-HNNXBMFYSA-N -1 0 340.452 3.680 20 0 EHADRM Cc1cc(Br)c(C[N@@H+]2CCCC[C@@H]2C(=O)[O-])cc1Cl ZINC000263409802 1029694458 /nfs/dbraw/zinc/69/44/58/1029694458.db2.gz LASOMGUWXCRFEF-CYBMUJFWSA-N -1 0 346.652 3.850 20 0 EHADRM Cc1c(Cl)cccc1C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000263481525 1029701823 /nfs/dbraw/zinc/70/18/23/1029701823.db2.gz ARTIIQRIXSEBNG-CVEARBPZSA-N -1 0 343.810 3.589 20 0 EHADRM Cc1c(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])sc2nccc(C)c12 ZINC000263477637 1029702620 /nfs/dbraw/zinc/70/26/20/1029702620.db2.gz ZQDDZRPKPSHAEA-CYBMUJFWSA-N -1 0 346.452 3.773 20 0 EHADRM CCN(C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1)[C@@H](C)C(C)C ZINC000263494642 1029703240 /nfs/dbraw/zinc/70/32/40/1029703240.db2.gz SKPDVDGFWHDLQL-RDJZCZTQSA-N -1 0 334.460 3.539 20 0 EHADRM C/C=C/C[C@H](NC(=O)CCCc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000263527487 1029709454 /nfs/dbraw/zinc/70/94/54/1029709454.db2.gz KRLJCBZWCNMEID-HSWBROFVSA-N -1 0 343.345 3.564 20 0 EHADRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000446639424 1029733741 /nfs/dbraw/zinc/73/37/41/1029733741.db2.gz UWSWJTJATWKDMS-UHFFFAOYSA-N -1 0 341.429 3.665 20 0 EHADRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1c(C)cccc1F ZINC000446647231 1029737800 /nfs/dbraw/zinc/73/78/00/1029737800.db2.gz JJOCSAFTIFMRFK-UHFFFAOYSA-N -1 0 341.429 3.665 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@@H](C)COc2ccc(C(C)(C)C)cc2)s[n-]1 ZINC000509686980 1029766089 /nfs/dbraw/zinc/76/60/89/1029766089.db2.gz VQHFSTCICDGOQH-STQMWFEESA-N -1 0 349.500 3.844 20 0 EHADRM C[C@@H](N=c1[n-]nc(-c2ccccc2)s1)c1cccc(-n2cccn2)c1 ZINC000525310964 1029788667 /nfs/dbraw/zinc/78/86/67/1029788667.db2.gz QRQFFRYKICDPRS-CQSZACIVSA-N -1 0 347.447 3.986 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nnc(-c3ccccc3C)o2)sc1C ZINC000446782583 1029798573 /nfs/dbraw/zinc/79/85/73/1029798573.db2.gz GPZPTANESQRVLV-UHFFFAOYSA-N -1 0 349.437 3.524 20 0 EHADRM COc1cc(CN=c2[n-]nc(CCCc3cccs3)o2)ccc1C ZINC000446944892 1029862379 /nfs/dbraw/zinc/86/23/79/1029862379.db2.gz XPZUVTSJZFJBGO-UHFFFAOYSA-N -1 0 343.452 3.657 20 0 EHADRM CN(C(=O)CC(C)(C)CC(F)(F)F)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000909644341 1029862986 /nfs/dbraw/zinc/86/29/86/1029862986.db2.gz UYMCDLMOTKBAAS-ZDUSSCGKSA-N -1 0 345.361 3.509 20 0 EHADRM CN(C(=O)CC(C)(C)CC(F)(F)F)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000909644340 1029863175 /nfs/dbraw/zinc/86/31/75/1029863175.db2.gz UYMCDLMOTKBAAS-CYBMUJFWSA-N -1 0 345.361 3.509 20 0 EHADRM CCCc1nc(=NC(=O)N2C[C@H](c3ccccc3C)C[C@H]2C)s[n-]1 ZINC000583468646 1029873598 /nfs/dbraw/zinc/87/35/98/1029873598.db2.gz CGKNRZAFCIAMFE-ZIAGYGMSSA-N -1 0 344.484 3.631 20 0 EHADRM CO[C@H](C)c1nc(=NCC(C)(C)c2ccc(Cl)cc2)s[n-]1 ZINC000509641106 1029956554 /nfs/dbraw/zinc/95/65/54/1029956554.db2.gz RHGAWENZDHZFBG-SNVBAGLBSA-N -1 0 325.865 3.711 20 0 EHADRM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(-c2ccccc2C(F)F)cc1 ZINC000583511068 1029997767 /nfs/dbraw/zinc/99/77/67/1029997767.db2.gz OMQJUHLTTICJIT-MRXNPFEDSA-N -1 0 345.345 3.980 20 0 EHADRM CC[C@H](NC(=O)c1cc(Cl)c2ccccc2c1[O-])c1noc(C)n1 ZINC000092223928 1030042317 /nfs/dbraw/zinc/04/23/17/1030042317.db2.gz BGIDJGXDDXWFBT-AWEZNQCLSA-N -1 0 345.786 3.771 20 0 EHADRM Brc1cccc(CN=c2[n-]nc(-c3ccccc3)o2)c1 ZINC000508591597 1030070663 /nfs/dbraw/zinc/07/06/63/1030070663.db2.gz XPEUNPLOOZDUAH-UHFFFAOYSA-N -1 0 330.185 3.533 20 0 EHADRM O=S(=O)([N-]c1ccc(C(F)(F)F)nc1)c1cc2ccccc2o1 ZINC000121139917 1030169620 /nfs/dbraw/zinc/16/96/20/1030169620.db2.gz LIFJZKUCQHUFOA-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM O=S(=O)(CC1CCCC1)[N-][C@H](C1CCCCC1)C(F)(F)F ZINC000541310375 1030180664 /nfs/dbraw/zinc/18/06/64/1030180664.db2.gz YOXNNRSUOAYWFZ-CYBMUJFWSA-N -1 0 327.412 3.607 20 0 EHADRM CC(C)(C)c1csc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)n1 ZINC000550804955 1030208348 /nfs/dbraw/zinc/20/83/48/1030208348.db2.gz QJUPBMYLAHJWAB-UHFFFAOYSA-N -1 0 336.482 3.730 20 0 EHADRM O=C([O-])CC1(NC(=O)c2ccc(-c3ccccc3F)o2)CCCCC1 ZINC000531999659 1030209413 /nfs/dbraw/zinc/20/94/13/1030209413.db2.gz CXIXBUFVUSECCR-UHFFFAOYSA-N -1 0 345.370 3.993 20 0 EHADRM Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000126883649 1030216553 /nfs/dbraw/zinc/21/65/53/1030216553.db2.gz VAUWNNOUVZITHZ-UHFFFAOYSA-N -1 0 347.223 3.968 20 0 EHADRM CCc1cccc(CC)c1[N-]S(=O)(=O)c1sccc1OC ZINC000121660490 1030325692 /nfs/dbraw/zinc/32/56/92/1030325692.db2.gz IAKDRXQSNRNAJS-UHFFFAOYSA-N -1 0 325.455 3.682 20 0 EHADRM CO[C@H](C)c1nc(=NCC(C)(C)c2cccc(Cl)c2)s[n-]1 ZINC000509654135 1030374124 /nfs/dbraw/zinc/37/41/24/1030374124.db2.gz WWRWYBVOHFQVOO-SNVBAGLBSA-N -1 0 325.865 3.711 20 0 EHADRM Cc1c(Br)ccc(NC(=O)c2c([O-])cccc2F)c1F ZINC000447639179 1030397684 /nfs/dbraw/zinc/39/76/84/1030397684.db2.gz KMHBWJZTBVHHGG-UHFFFAOYSA-N -1 0 342.139 3.994 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1ncccc1-c1ccccc1 ZINC000092388925 1030445249 /nfs/dbraw/zinc/44/52/49/1030445249.db2.gz BKPJOJCNXSRCOA-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM CCC(CC)(CC(=O)Nc1ccc(C(F)(F)F)c(OC)c1)C(=O)[O-] ZINC000448111133 1030527052 /nfs/dbraw/zinc/52/70/52/1030527052.db2.gz XGHKOCXUSKBRCQ-UHFFFAOYSA-N -1 0 347.333 3.934 20 0 EHADRM O=C(N=c1ncn(C2CCCCC2)[n-]1)c1cc2c(s1)CCCCC2 ZINC000583717167 1030539599 /nfs/dbraw/zinc/53/95/99/1030539599.db2.gz HDTQYSVDIUNDKI-UHFFFAOYSA-N -1 0 344.484 3.788 20 0 EHADRM CC1(C)CCCCN(C(=O)c2cccc(Br)c2[O-])C1 ZINC000527112920 1030659663 /nfs/dbraw/zinc/65/96/63/1030659663.db2.gz VXBHBOWOOLRHNK-UHFFFAOYSA-N -1 0 326.234 3.807 20 0 EHADRM O=C([O-])c1coc(CN2CCCC[C@@H]2c2cc3ccccc3[nH]2)n1 ZINC000568060768 1030684640 /nfs/dbraw/zinc/68/46/40/1030684640.db2.gz NTBNDONPAWDGQN-MRXNPFEDSA-N -1 0 325.368 3.581 20 0 EHADRM CSc1nc(=NC(=O)N[C@@H](CC(C)C)c2cccs2)s[n-]1 ZINC000476658507 1030782594 /nfs/dbraw/zinc/78/25/94/1030782594.db2.gz KNAPXNDZGFTDST-VIFPVBQESA-N -1 0 342.515 3.652 20 0 EHADRM CCN(C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-])C1CCCCC1 ZINC000666038746 1030879143 /nfs/dbraw/zinc/87/91/43/1030879143.db2.gz YITDNBPAXSFXDB-UHFFFAOYSA-N -1 0 349.381 3.651 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)N[C@H]2CCCc3sccc32)s[n-]1 ZINC000343438187 1030890791 /nfs/dbraw/zinc/89/07/91/1030890791.db2.gz FNRSBPQHRCVAAR-JTQLQIEISA-N -1 0 336.486 3.518 20 0 EHADRM C[C@@H](NC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC000262876799 1030936523 /nfs/dbraw/zinc/93/65/23/1030936523.db2.gz APNVVDGWGLDANH-QAPCUYQASA-N -1 0 340.423 3.523 20 0 EHADRM CC(C)Sc1c(Cl)cccc1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000172811723 1031002797 /nfs/dbraw/zinc/00/27/97/1031002797.db2.gz ZFLSYYSNJDEIRW-LLVKDONJSA-N -1 0 349.905 3.761 20 0 EHADRM Cc1nnc(-c2cccc(NC(=O)c3cc(Cl)ccc3[O-])c2)o1 ZINC000174357846 1031200451 /nfs/dbraw/zinc/20/04/51/1031200451.db2.gz MPXVBTCXSNQIJT-UHFFFAOYSA-N -1 0 329.743 3.656 20 0 EHADRM COc1ccc(C(C)=O)c(Nc2ccc(C)c(C(=O)[O-])c2)c1OC ZINC001211603889 1031214447 /nfs/dbraw/zinc/21/44/47/1031214447.db2.gz IWXGDRJQCYQXOD-UHFFFAOYSA-N -1 0 329.352 3.657 20 0 EHADRM Cc1nc([N-]S(=O)(=O)c2cccc(F)c2)ccc1-c1ccccc1 ZINC000583967235 1031247033 /nfs/dbraw/zinc/24/70/33/1031247033.db2.gz TYMDRWDZJGIFSI-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM CCS(=O)(=O)c1ccc(-c2ccc3c(c2)CCCC3)c(C(=O)[O-])c1 ZINC000568266263 1031268884 /nfs/dbraw/zinc/26/88/84/1031268884.db2.gz OOBSTHGMZZTHNC-UHFFFAOYSA-N -1 0 344.432 3.724 20 0 EHADRM O=C(Nc1nc(-c2ccccn2)cs1)c1cc(F)c([O-])c(Cl)c1 ZINC000194641485 1031276426 /nfs/dbraw/zinc/27/64/26/1031276426.db2.gz HBUAEKCXUHOKHO-UHFFFAOYSA-N -1 0 349.774 3.956 20 0 EHADRM CSc1cc(C)c(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])o1 ZINC000668268640 1031352720 /nfs/dbraw/zinc/35/27/20/1031352720.db2.gz WZKOVAAPJULNIU-ZDUSSCGKSA-N -1 0 347.436 3.673 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)Cc1cccc(C2CC2)c1)c1ccccc1 ZINC000668270288 1031353247 /nfs/dbraw/zinc/35/32/47/1031353247.db2.gz GCQHUGPWXRMMDE-LJQANCHMSA-N -1 0 337.419 3.829 20 0 EHADRM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000551474630 1031374357 /nfs/dbraw/zinc/37/43/57/1031374357.db2.gz CMKBDRNDPXGWTH-JTQLQIEISA-N -1 0 343.807 3.987 20 0 EHADRM C[C@@H](NC(=O)C(C)(C)c1ccc(-c2ccccc2)cc1)[C@H](C)C(=O)[O-] ZINC000668287083 1031395708 /nfs/dbraw/zinc/39/57/08/1031395708.db2.gz WQHYIYXAWYTFOH-LSDHHAIUSA-N -1 0 339.435 3.857 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(CCC(=O)[O-])c2)c(C)n1C(C)C ZINC000262365047 1031406792 /nfs/dbraw/zinc/40/67/92/1031406792.db2.gz HNDKEGHEUMSGSC-UHFFFAOYSA-N -1 0 328.412 3.955 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)Cc2cccc(C3CC3)c2)[C@H]2CCCC[C@H]12 ZINC000668295258 1031415452 /nfs/dbraw/zinc/41/54/52/1031415452.db2.gz NIEWIDZBLSPGSK-QRVBRYPASA-N -1 0 341.451 3.598 20 0 EHADRM Cc1ccccc1-c1nc(=N[C@@H](c2cnn(C)c2)C(C)(C)C)s[n-]1 ZINC000527918937 1031454949 /nfs/dbraw/zinc/45/49/49/1031454949.db2.gz PLWOWYLCMRYGQC-HNNXBMFYSA-N -1 0 341.484 3.868 20 0 EHADRM CC[C@@H]1CCCN(C(=O)N=c2[n-]nc(C=Cc3ccco3)s2)CC1 ZINC000484109261 1031461887 /nfs/dbraw/zinc/46/18/87/1031461887.db2.gz IMRNBNSELOXVCM-SBDDDAINSA-N -1 0 346.456 3.767 20 0 EHADRM CC(C)[C@@H](CC(=O)N=c1ccc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000484159097 1031479715 /nfs/dbraw/zinc/47/97/15/1031479715.db2.gz JSXLLZOVNMECQD-CYBMUJFWSA-N -1 0 337.345 3.686 20 0 EHADRM CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1ccc(C)c(F)c1 ZINC000484445883 1031575663 /nfs/dbraw/zinc/57/56/63/1031575663.db2.gz WFQXAEYBJWVDBQ-UHFFFAOYSA-N -1 0 339.436 3.630 20 0 EHADRM Cc1cc([C@@H](NCc2nc(C(C)(C)C)co2)C(=O)[O-])ccc1Cl ZINC000904002040 1031587417 /nfs/dbraw/zinc/58/74/17/1031587417.db2.gz MLDLQCPNWCRIIV-OAHLLOKOSA-N -1 0 336.819 3.849 20 0 EHADRM Cc1ccsc1CN[C@@H](C(=O)[O-])c1csc(Br)c1 ZINC000904071477 1031698148 /nfs/dbraw/zinc/69/81/48/1031698148.db2.gz DUGAKZIINPGCPS-LLVKDONJSA-N -1 0 346.271 3.796 20 0 EHADRM Cc1ccc([C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C(=O)[O-])cc1 ZINC000431541087 1031711880 /nfs/dbraw/zinc/71/18/80/1031711880.db2.gz ZSMUBKWMUGOTSZ-KANFNMMFSA-N -1 0 343.467 3.886 20 0 EHADRM Cc1ccccc1CCC(=O)NCc1ccc(O)c(Br)c1 ZINC000151619239 1031743227 /nfs/dbraw/zinc/74/32/27/1031743227.db2.gz MSLHGXKLVCNPPC-UHFFFAOYSA-N -1 0 348.240 3.712 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)c1 ZINC000484598548 1031772421 /nfs/dbraw/zinc/77/24/21/1031772421.db2.gz MKVXXWLXBWPSTM-UHFFFAOYSA-N -1 0 331.368 3.794 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@H](C)c2c(F)cccc2Cl)s1 ZINC000477741028 1031820042 /nfs/dbraw/zinc/82/00/42/1031820042.db2.gz HYZKQCLEDQIWSZ-MRVPVSSYSA-N -1 0 342.827 3.588 20 0 EHADRM Cc1nc(-c2cccc(N[C@@H]3C[C@H](NC(=O)[O-])C34CCC4)c2)oc1C ZINC000904199342 1031844780 /nfs/dbraw/zinc/84/47/80/1031844780.db2.gz HTORQMAAJLWBRT-CVEARBPZSA-N -1 0 341.411 3.949 20 0 EHADRM O=C([O-])N[C@@H]1C[C@H](Nc2ccc(OC3CCC3)c(F)c2)C12CCC2 ZINC000904201227 1031847260 /nfs/dbraw/zinc/84/72/60/1031847260.db2.gz YQIGINARQZHDGC-JKSUJKDBSA-N -1 0 334.391 3.748 20 0 EHADRM O=C([O-])N[C@@H]1C[C@@H](Nc2ccc(CC(F)(F)F)cc2)C12CCC2 ZINC000904200033 1031847891 /nfs/dbraw/zinc/84/78/91/1031847891.db2.gz WHEJDDMISVOMNG-CHWSQXEVSA-N -1 0 328.334 3.782 20 0 EHADRM Cc1ncc(-c2ccc(N[C@@H]3C[C@H](NC(=O)[O-])C34CCC4)cc2)o1 ZINC000904200093 1031848624 /nfs/dbraw/zinc/84/86/24/1031848624.db2.gz QTGNSXLTCGFORM-CVEARBPZSA-N -1 0 327.384 3.641 20 0 EHADRM Cc1sc(-c2ccc(OC[C@@H]3CCCCO3)cc2)nc1C(=O)[O-] ZINC000565962989 1031853391 /nfs/dbraw/zinc/85/33/91/1031853391.db2.gz MRCKXWOOFTVTCY-AWEZNQCLSA-N -1 0 333.409 3.765 20 0 EHADRM CCc1c([N-]S(=O)(=O)c2ccc(CC)cc2)onc1C(F)(F)F ZINC000460572683 1031858566 /nfs/dbraw/zinc/85/85/66/1031858566.db2.gz JUBLCFGMDCNYCP-UHFFFAOYSA-N -1 0 348.346 3.619 20 0 EHADRM O=C(Cc1ccc(O)c(F)c1)NCC1(c2ccc(Cl)cc2)CC1 ZINC000448888902 1031873796 /nfs/dbraw/zinc/87/37/96/1031873796.db2.gz VTGDIELDYDUBBP-UHFFFAOYSA-N -1 0 333.790 3.575 20 0 EHADRM CCN=c1[n-]nc(SCc2ccc(Br)c(F)c2)s1 ZINC000484736340 1031925981 /nfs/dbraw/zinc/92/59/81/1031925981.db2.gz MZOLZVFLEVIDIK-UHFFFAOYSA-N -1 0 348.266 3.586 20 0 EHADRM CCCN(C(=O)Nc1ccc(CCSC)cc1)[C@H](CC)C(=O)[O-] ZINC000584210260 1031945763 /nfs/dbraw/zinc/94/57/63/1031945763.db2.gz DLPSNYGCRGJTLG-OAHLLOKOSA-N -1 0 338.473 3.699 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC000448997263 1032003430 /nfs/dbraw/zinc/00/34/30/1032003430.db2.gz STQRLSBLFIKJCO-NRFANRHFSA-N -1 0 337.419 3.511 20 0 EHADRM CC(C)C[C@H](NC(=O)Cc1ccc(C(=O)[O-])cc1)c1cccs1 ZINC000448986574 1032019093 /nfs/dbraw/zinc/01/90/93/1032019093.db2.gz MKYPQOFIJNMWIB-HNNXBMFYSA-N -1 0 331.437 3.892 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)c2ccc(C(=O)[O-])c(C)n2)cc1C ZINC000448986522 1032019427 /nfs/dbraw/zinc/01/94/27/1032019427.db2.gz KVECCVBTJVZQOY-GOSISDBHSA-N -1 0 338.407 3.682 20 0 EHADRM c1ccc(-c2ncc(CN=c3[n-]nc(CC4CCCCC4)o3)cn2)cc1 ZINC000537489057 1033368116 /nfs/dbraw/zinc/36/81/16/1033368116.db2.gz FKZIHZHEQYFSIG-UHFFFAOYSA-N -1 0 349.438 3.683 20 0 EHADRM c1cc(Cc2n[n-]c(=NCc3cc4ccccc4s3)o2)cs1 ZINC000537490389 1033390843 /nfs/dbraw/zinc/39/08/43/1033390843.db2.gz KLQUYNCYAUIDIK-UHFFFAOYSA-N -1 0 327.434 3.971 20 0 EHADRM C[C@@]1(C(=O)Nc2ccc(F)c(Br)c2[O-])CC=CCC1 ZINC001142545404 1033394030 /nfs/dbraw/zinc/39/40/30/1033394030.db2.gz BCBAYOFPERNIBA-CQSZACIVSA-N -1 0 328.181 3.979 20 0 EHADRM Cc1cc(S(=O)(=O)Nc2cccc(-c3cn[nH]c3)c2)cc(C)c1F ZINC000761288876 1033475910 /nfs/dbraw/zinc/47/59/10/1033475910.db2.gz VDRAJWIOPAAMNL-UHFFFAOYSA-N -1 0 345.399 3.633 20 0 EHADRM COc1ccc2c(c1)OCC[C@H]2N=c1[n-]nc(-c2ccccc2)s1 ZINC000608089883 1033486465 /nfs/dbraw/zinc/48/64/65/1033486465.db2.gz YBIVYEYKOFRYKX-OAHLLOKOSA-N -1 0 339.420 3.571 20 0 EHADRM COc1ccc2c(c1)OCC[C@@H]2N=c1[n-]nc(-c2ccccc2)s1 ZINC000608089882 1033487276 /nfs/dbraw/zinc/48/72/76/1033487276.db2.gz YBIVYEYKOFRYKX-HNNXBMFYSA-N -1 0 339.420 3.571 20 0 EHADRM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)cc1F ZINC000431618331 1033681154 /nfs/dbraw/zinc/68/11/54/1033681154.db2.gz PPKFLLLPQKFKPJ-AWEZNQCLSA-N -1 0 347.333 3.558 20 0 EHADRM Cc1cccc(NC(=O)N=c2[n-]nc(Cc3ccccc3)s2)c1C ZINC000603559885 1033768737 /nfs/dbraw/zinc/76/87/37/1033768737.db2.gz GIFLSOMWBYRRJI-UHFFFAOYSA-N -1 0 338.436 3.812 20 0 EHADRM C[C@@H](CNC(=O)c1cc(Br)cc(Cl)c1[O-])C1CC1 ZINC000608759578 1033871906 /nfs/dbraw/zinc/87/19/06/1033871906.db2.gz IFOGVPLTKLEVDK-ZETCQYMHSA-N -1 0 332.625 3.584 20 0 EHADRM Cc1occc1CNC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000608759619 1033872060 /nfs/dbraw/zinc/87/20/60/1033872060.db2.gz UUGWTMFFMDXEDL-UHFFFAOYSA-N -1 0 344.592 3.640 20 0 EHADRM Fc1ccc([S-])c(NCCc2ccc(Br)cn2)c1 ZINC001168311249 1033888653 /nfs/dbraw/zinc/88/86/53/1033888653.db2.gz QJJXNTOEXRQYIT-UHFFFAOYSA-N -1 0 327.222 3.927 20 0 EHADRM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000083956253 1033900628 /nfs/dbraw/zinc/90/06/28/1033900628.db2.gz JPNBMNBFQQDCEG-UHFFFAOYSA-N -1 0 345.877 3.598 20 0 EHADRM C[C@@H](Oc1[n-]ncc(=O)c1Cl)c1cccc(Br)c1F ZINC001228387835 1034033728 /nfs/dbraw/zinc/03/37/28/1034033728.db2.gz RKPJNMRIGYHQME-ZCFIWIBFSA-N -1 0 347.571 3.877 20 0 EHADRM CCOC(=O)c1ccc(NC(=O)c2oc(C(F)F)cc2C)c(O)c1 ZINC000599712788 1034119920 /nfs/dbraw/zinc/11/99/20/1034119920.db2.gz YPQHFMQQNHATDA-UHFFFAOYSA-N -1 0 339.294 3.660 20 0 EHADRM CCSCc1ccc(N=c2nc(C3CCOCC3)[n-]s2)cc1 ZINC000596256528 1034153128 /nfs/dbraw/zinc/15/31/28/1034153128.db2.gz BUIYXZXBXFURQD-UHFFFAOYSA-N -1 0 335.498 3.851 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2c(C)ccc3cccnc32)c(C)c1 ZINC000476512071 1034161996 /nfs/dbraw/zinc/16/19/96/1034161996.db2.gz MDEMBJBNFVRLPO-UHFFFAOYSA-N -1 0 326.421 3.961 20 0 EHADRM CCOC(=O)c1csc(=N[C@H](C)c2c(F)cccc2Cl)[n-]1 ZINC000450366710 1034181315 /nfs/dbraw/zinc/18/13/15/1034181315.db2.gz UPGYFWDJVMBLIE-MRVPVSSYSA-N -1 0 328.796 3.707 20 0 EHADRM CCOC(=O)c1csc(=N[C@@H](C)c2ccccc2C(F)(F)F)[n-]1 ZINC000450356722 1034190035 /nfs/dbraw/zinc/19/00/35/1034190035.db2.gz XCKINFBLOTZIRQ-VIFPVBQESA-N -1 0 344.358 3.934 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000193108847 1034423532 /nfs/dbraw/zinc/42/35/32/1034423532.db2.gz AVTCBHDKTRWHSG-HZSPNIEDSA-N -1 0 329.396 3.809 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)CC(C)(C)C(F)(F)F)C(=O)[O-] ZINC000450495862 1034429526 /nfs/dbraw/zinc/42/95/26/1034429526.db2.gz BPIQMXKAQJVABT-LBPRGKRZSA-N -1 0 345.361 3.715 20 0 EHADRM C[C@@H](CCC1CCCCC1)NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000604605114 1034433419 /nfs/dbraw/zinc/43/34/19/1034433419.db2.gz QUVHDJNFBYADDD-ZDUSSCGKSA-N -1 0 343.427 3.509 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)N=c2[n-]nc(-c3ccco3)s2)c1C ZINC000604616538 1034437842 /nfs/dbraw/zinc/43/78/42/1034437842.db2.gz VPQQLBHWZXDMJI-GFCCVEGCSA-N -1 0 342.424 3.720 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000604708363 1034461530 /nfs/dbraw/zinc/46/15/30/1034461530.db2.gz LCQWXXSCHONDQF-UONOGXRCSA-N -1 0 347.340 3.537 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)Cc1ccccc1C(=O)[O-] ZINC000450529761 1034485454 /nfs/dbraw/zinc/48/54/54/1034485454.db2.gz AEFHUWPDJUWYDY-DOTOQJQBSA-N -1 0 337.419 3.722 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000450529968 1034486740 /nfs/dbraw/zinc/48/67/40/1034486740.db2.gz BHCSDOUQBLOSAC-GXTWGEPZSA-N -1 0 329.421 3.855 20 0 EHADRM O=S(=O)([N-]c1cc(O)cc(F)c1)c1cc(Cl)ccc1Cl ZINC000161303585 1034493148 /nfs/dbraw/zinc/49/31/48/1034493148.db2.gz DGBWEPJSBXGBSI-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM Cc1c(C)c(C)c(CNC(=O)C2CCC(C(=O)[O-])CC2)c(C)c1C ZINC000450541849 1034493752 /nfs/dbraw/zinc/49/37/52/1034493752.db2.gz RSFOAGJELPXJOA-UHFFFAOYSA-N -1 0 331.456 3.736 20 0 EHADRM CC(C)OCc1cccc(NC(=O)N=c2nc(C(C)(C)C)[n-]s2)c1 ZINC000604801935 1034510759 /nfs/dbraw/zinc/51/07/59/1034510759.db2.gz UFYWMRCTPJEFIG-UHFFFAOYSA-N -1 0 348.472 3.827 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H]1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000326446588 1034715952 /nfs/dbraw/zinc/71/59/52/1034715952.db2.gz NEXGOCXLJRDVSM-CABCVRRESA-N -1 0 325.364 3.918 20 0 EHADRM CC(F)(F)CCSc1n[n-]c(=NCc2ccc(F)cc2)s1 ZINC000450745380 1034749806 /nfs/dbraw/zinc/74/98/06/1034749806.db2.gz DVUHMKLUEBDIDO-UHFFFAOYSA-N -1 0 333.404 3.849 20 0 EHADRM O=C(CCc1cc(Cl)cs1)N=c1nc(-c2ccccc2)[n-]s1 ZINC000605621145 1034805137 /nfs/dbraw/zinc/80/51/37/1034805137.db2.gz KOSOHHKEEPIDLL-UHFFFAOYSA-N -1 0 349.868 3.913 20 0 EHADRM COCC[C@@H](N=c1[n-]nc(C(C)C)o1)c1cccc(C(F)(F)F)c1 ZINC000450810350 1034819903 /nfs/dbraw/zinc/81/99/03/1034819903.db2.gz YAIJGJPYMBVPGY-CYBMUJFWSA-N -1 0 343.349 3.823 20 0 EHADRM CC(C)(C)[C@H]([N-]S(=O)(=O)Cc1ccccc1Cl)C(F)(F)F ZINC000569874448 1034826595 /nfs/dbraw/zinc/82/65/95/1034826595.db2.gz HFIIBLRLNNECEM-NSHDSACASA-N -1 0 343.798 3.736 20 0 EHADRM CC1(C)CCc2cccc(NC(=O)c3s[n-]c(=O)c3Cl)c2O1 ZINC000530042989 1034904628 /nfs/dbraw/zinc/90/46/28/1034904628.db2.gz YHSKDSPWYMKQJL-UHFFFAOYSA-N -1 0 338.816 3.858 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2c(C)cc(N(C)C)cc2C)s1 ZINC000450986467 1035000223 /nfs/dbraw/zinc/00/02/23/1035000223.db2.gz HLPPLIGIXJTVLZ-UHFFFAOYSA-N -1 0 338.498 3.849 20 0 EHADRM CCCOc1ccc([N-]S(=O)(=O)c2sccc2F)c(C)c1 ZINC000450987679 1035002037 /nfs/dbraw/zinc/00/20/37/1035002037.db2.gz XHYQSUYDHPMFIK-UHFFFAOYSA-N -1 0 329.418 3.785 20 0 EHADRM CO[C@@H](CS(=O)(=O)[N-]c1ccccc1OC(C)C)c1ccccc1 ZINC000450981902 1035011335 /nfs/dbraw/zinc/01/13/35/1035011335.db2.gz JGXBKJROMIVISN-SFHVURJKSA-N -1 0 349.452 3.603 20 0 EHADRM COc1ccc(NC(=O)c2cc(F)c([O-])c(Cl)c2)c2ncccc12 ZINC000572748896 1035046515 /nfs/dbraw/zinc/04/65/15/1035046515.db2.gz GLPLYUFFOYHVGK-UHFFFAOYSA-N -1 0 346.745 3.994 20 0 EHADRM CO[C@H](C)c1nc(C)c(C(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)s1 ZINC000431664752 1035131793 /nfs/dbraw/zinc/13/17/93/1035131793.db2.gz BTYYBSPAOQMKIE-LLVKDONJSA-N -1 0 348.424 3.726 20 0 EHADRM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc(C(C)C)c2)c1 ZINC000612754365 1035199338 /nfs/dbraw/zinc/19/93/38/1035199338.db2.gz JQXAIWPGBVKUKI-UHFFFAOYSA-N -1 0 347.436 3.562 20 0 EHADRM CC[C@H]1CC[C@@H](C)N1C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000613235255 1035465134 /nfs/dbraw/zinc/46/51/34/1035465134.db2.gz JICKDEJUFMYUQI-YPMHNXCESA-N -1 0 333.819 3.634 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2ccccc2OCCF)CCCCC1 ZINC000414090128 1035477092 /nfs/dbraw/zinc/47/70/92/1035477092.db2.gz KPGYJDUGWXGCDC-UHFFFAOYSA-N -1 0 337.391 3.789 20 0 EHADRM CN(C(=O)c1c([O-])cc(F)cc1F)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000685864770 1035478552 /nfs/dbraw/zinc/47/85/52/1035478552.db2.gz NMAZVQUGBGRSLJ-WAAGHKOSSA-N -1 0 337.288 3.864 20 0 EHADRM C[C@@H](NCc1cc(O)cc(F)c1)c1nc(-c2cccc(F)c2)no1 ZINC000185560359 1035494520 /nfs/dbraw/zinc/49/45/20/1035494520.db2.gz ONTJDMLPYBPFML-SNVBAGLBSA-N -1 0 331.322 3.571 20 0 EHADRM Cc1coc(-c2cccc(NC(=O)CC3CCC(C(=O)[O-])CC3)c2)n1 ZINC000571449022 1035498393 /nfs/dbraw/zinc/49/83/93/1035498393.db2.gz HUSSBCXESXVQMS-UHFFFAOYSA-N -1 0 342.395 3.870 20 0 EHADRM C[C@](CC(=O)N[C@H]1CCC12CCCC2)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000414103344 1035513933 /nfs/dbraw/zinc/51/39/33/1035513933.db2.gz UJJSPNDBIAAWTA-MAUKXSAKSA-N -1 0 349.858 3.911 20 0 EHADRM CC(=C([O-])c1ccc2c(c1)CCC2)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000492240186 1035519893 /nfs/dbraw/zinc/51/98/93/1035519893.db2.gz LQAULJLEEJWRHR-HNNXBMFYSA-N -1 0 342.460 3.837 20 0 EHADRM CC(C)(C)Cc1csc([N-]S(=O)(=O)Cc2ccc(F)cc2)n1 ZINC000540654696 1035530082 /nfs/dbraw/zinc/53/00/82/1035530082.db2.gz UAZSLCOOKOQMRO-UHFFFAOYSA-N -1 0 342.461 3.813 20 0 EHADRM COc1ccnc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000534793025 1035607848 /nfs/dbraw/zinc/60/78/48/1035607848.db2.gz RFYMGLVDLHZHMN-UHFFFAOYSA-N -1 0 340.404 3.558 20 0 EHADRM CC(C)(C)C[C@H]1CCN(C(=O)c2nn(-c3cccc(F)c3)cc2[O-])C1 ZINC000457007736 1035637791 /nfs/dbraw/zinc/63/77/91/1035637791.db2.gz FASHNSGIAIFJNL-CYBMUJFWSA-N -1 0 345.418 3.615 20 0 EHADRM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000006316415 1035660704 /nfs/dbraw/zinc/66/07/04/1035660704.db2.gz NJIABTWCUXXVHP-UHFFFAOYSA-N -1 0 347.436 3.788 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)/C=C/c2cc3ccccc3o2)CC1 ZINC000492348285 1035677636 /nfs/dbraw/zinc/67/76/36/1035677636.db2.gz LMVNBCOKLSCASV-VOTSOKGWSA-N -1 0 327.380 3.549 20 0 EHADRM Cc1cccn2c(CN=c3[n-]nc(C[C@H](C)CC(C)(C)C)o3)cnc12 ZINC000540792510 1035686405 /nfs/dbraw/zinc/68/64/05/1035686405.db2.gz MDZMLWSWQFQNHB-ZDUSSCGKSA-N -1 0 341.459 3.675 20 0 EHADRM FC(F)(F)c1ccc(CN=c2[n-]nc(CCc3ccccc3)o2)cc1 ZINC000540792227 1035687519 /nfs/dbraw/zinc/68/75/19/1035687519.db2.gz JJCCKYIKYQAGRZ-UHFFFAOYSA-N -1 0 347.340 3.908 20 0 EHADRM CCC1(C)CN(C(=O)N=c2[n-]nc(-c3cc(C)cc(C)c3)s2)C1 ZINC000463654322 1035716281 /nfs/dbraw/zinc/71/62/81/1035716281.db2.gz HJELVIHVTLUFSN-UHFFFAOYSA-N -1 0 330.457 3.508 20 0 EHADRM O=C(NCc1cccc(-c2ccccn2)c1)c1cc(F)c([O-])c(F)c1 ZINC000186909622 1035718198 /nfs/dbraw/zinc/71/81/98/1035718198.db2.gz NVRJAQXIHFLHIF-UHFFFAOYSA-N -1 0 340.329 3.662 20 0 EHADRM Cn1cnc2cc(/C=C\c3cc(C(=O)[O-])c4ccccc4n3)ccc21 ZINC000534878890 1035737323 /nfs/dbraw/zinc/73/73/23/1035737323.db2.gz HSPRLHVGECRJTE-VURMDHGXSA-N -1 0 329.359 3.990 20 0 EHADRM O=C([O-])c1cc2c(cccc2-c2cccc(CO[C@H]3CCOC3)c2)[nH]1 ZINC000521069618 1035748230 /nfs/dbraw/zinc/74/82/30/1035748230.db2.gz OZHLGMJJNKSLMD-HNNXBMFYSA-N -1 0 337.375 3.839 20 0 EHADRM CC(C)SCC(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000534941588 1035815387 /nfs/dbraw/zinc/81/53/87/1035815387.db2.gz RVAUAJVYQJVXQI-UHFFFAOYSA-N -1 0 338.654 3.888 20 0 EHADRM CC(C)c1cnc([N-]S(=O)(=O)c2ccc(Cl)cc2F)s1 ZINC000174013426 1035832342 /nfs/dbraw/zinc/83/23/42/1035832342.db2.gz QLVHBZNOZCDHER-UHFFFAOYSA-N -1 0 334.825 3.860 20 0 EHADRM CC(C)c1cnc([N-]S(=O)(=O)c2ccc(F)cc2Cl)s1 ZINC000174013486 1035834069 /nfs/dbraw/zinc/83/40/69/1035834069.db2.gz MXSMQXHHKPMXGN-UHFFFAOYSA-N -1 0 334.825 3.860 20 0 EHADRM CCCc1nc(=NC(=O)N2CCCC[C@H]2c2ccc(F)cc2)s[n-]1 ZINC000571961416 1035851479 /nfs/dbraw/zinc/85/14/79/1035851479.db2.gz FTXDLTVQLLNMMY-AWEZNQCLSA-N -1 0 348.447 3.811 20 0 EHADRM O=C([N-]OCc1ccccc1)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000066601871 1035907424 /nfs/dbraw/zinc/90/74/24/1035907424.db2.gz YWIAJGSYJSSNSJ-UHFFFAOYSA-N -1 0 335.325 3.985 20 0 EHADRM O=C(COc1ccc(Cl)cc1)Nc1cc(Cl)c([O-])cc1F ZINC000170204851 1035907857 /nfs/dbraw/zinc/90/78/57/1035907857.db2.gz FECDTDXSNXZQON-UHFFFAOYSA-N -1 0 330.142 3.856 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc([O-])c(Cl)c2)C[C@@H](c2ccccc2)O1 ZINC000063109930 1035912126 /nfs/dbraw/zinc/91/21/26/1035912126.db2.gz VWORUAQGJSHHTP-SJCJKPOMSA-N -1 0 331.799 3.648 20 0 EHADRM COC(C)(C)c1nc(C)c(C(=O)Nc2ccc(F)c(F)c2[O-])s1 ZINC000457314028 1035943751 /nfs/dbraw/zinc/94/37/51/1035943751.db2.gz MSNPIBNYAWPXHV-UHFFFAOYSA-N -1 0 342.367 3.569 20 0 EHADRM COc1nc(C(F)(F)F)ccc1-c1ccc2c(c1)CC[C@H]2C(=O)[O-] ZINC000521462674 1035989702 /nfs/dbraw/zinc/98/97/02/1035989702.db2.gz LQXUYCDSTVZLKW-CYBMUJFWSA-N -1 0 337.297 3.890 20 0 EHADRM C[C@H](NC(=O)CC1CCC(C(=O)[O-])CC1)c1cc2ccccc2o1 ZINC000572163074 1035997371 /nfs/dbraw/zinc/99/73/71/1035997371.db2.gz SCTRXFPASHUDIO-HSBZDZAISA-N -1 0 329.396 3.891 20 0 EHADRM Cc1cc(CN2CCC[C@@H](Oc3ccccc3Cl)C2)oc1C(=O)[O-] ZINC000572490260 1036113762 /nfs/dbraw/zinc/11/37/62/1036113762.db2.gz ZGQJOOWFVWGPNV-CYBMUJFWSA-N -1 0 349.814 3.983 20 0 EHADRM CC[C@H](C)[C@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000248844714 1036138922 /nfs/dbraw/zinc/13/89/22/1036138922.db2.gz AGCRNZPYZCGLSR-PKFCDNJMSA-N -1 0 329.799 3.793 20 0 EHADRM Cn1ccc2c1cccc2NC(=O)CC1(CC(=O)[O-])CCCCC1 ZINC000588911164 1036175343 /nfs/dbraw/zinc/17/53/43/1036175343.db2.gz RFKYWUPWQAKCDD-UHFFFAOYSA-N -1 0 328.412 3.932 20 0 EHADRM CC(C)(C(=O)[N-]OCc1ncc(-c2cccs2)o1)c1ccccc1 ZINC000152247339 1036214021 /nfs/dbraw/zinc/21/40/21/1036214021.db2.gz DXXBYWKVPFCBEE-UHFFFAOYSA-N -1 0 342.420 3.929 20 0 EHADRM O=C1c2ccccc2C[C@H]1Sc1n[n-]c(=NC2CCCCC2)s1 ZINC000492726155 1036216322 /nfs/dbraw/zinc/21/63/22/1036216322.db2.gz ZNQVPHQIFIVDLH-CQSZACIVSA-N -1 0 345.493 3.604 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)C1(Cc2ccccc2F)CC1 ZINC000263138332 1036300636 /nfs/dbraw/zinc/30/06/36/1036300636.db2.gz MHSPDYBOXLORAA-UHFFFAOYSA-N -1 0 327.355 3.794 20 0 EHADRM CC(C)Oc1cccc(/C=C\C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC000492800730 1036317653 /nfs/dbraw/zinc/31/76/53/1036317653.db2.gz PPFIDPDRCHNQAF-PXAMLJHWSA-N -1 0 345.439 3.590 20 0 EHADRM CCCOc1ccc(S(=O)(=O)[N-]c2nc3ccccc3s2)cc1 ZINC000589263827 1036326634 /nfs/dbraw/zinc/32/66/34/1036326634.db2.gz QTXHVIYJHWWRNE-UHFFFAOYSA-N -1 0 348.449 3.886 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(Cl)cc2O)[C@H](c2ccccc2)CO1 ZINC000175435224 1036379274 /nfs/dbraw/zinc/37/92/74/1036379274.db2.gz QCZQFPGJTQZWJF-WBMJQRKESA-N -1 0 331.799 3.648 20 0 EHADRM O=C(/C=C\c1ccc2c(c1)OCCO2)Nc1cc(Cl)c([O-])cc1F ZINC000492919124 1036391850 /nfs/dbraw/zinc/39/18/50/1036391850.db2.gz GXFXZVKJBGSPTI-RQOWECAXSA-N -1 0 349.745 3.608 20 0 EHADRM Cc1ccccc1S(=O)(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000589428889 1036424613 /nfs/dbraw/zinc/42/46/13/1036424613.db2.gz BRKLUBNYPHAEGC-UHFFFAOYSA-N -1 0 345.420 3.837 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)Nc1nc(C2CC2)cs1 ZINC000323962089 1036438420 /nfs/dbraw/zinc/43/84/20/1036438420.db2.gz AGBJFFLGHWVTAW-GFCCVEGCSA-N -1 0 337.445 3.566 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2cn3c(n2)CCC[C@@H]3C)c1Cl ZINC000572855333 1036535433 /nfs/dbraw/zinc/53/54/33/1036535433.db2.gz KMMTXZLISMSFHY-NSHDSACASA-N -1 0 339.848 3.543 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000263163430 1036560245 /nfs/dbraw/zinc/56/02/45/1036560245.db2.gz ZXPAGMLTWSVHQT-OPYAIIAOSA-N -1 0 339.435 3.949 20 0 EHADRM COc1ccc(C[C@H](C)C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cc1 ZINC000263174605 1036603295 /nfs/dbraw/zinc/60/32/95/1036603295.db2.gz GKBQONCKDBRTMJ-UONOGXRCSA-N -1 0 341.407 3.701 20 0 EHADRM COc1ccc(-c2noc(-c3cccc(Br)c3[O-])n2)cc1 ZINC000541778266 1036631301 /nfs/dbraw/zinc/63/13/01/1036631301.db2.gz VYNTXCAJDBGWIY-UHFFFAOYSA-N -1 0 347.168 3.880 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)C2(Cc3ccccc3F)CC2)cc1F ZINC000263224214 1036656012 /nfs/dbraw/zinc/65/60/12/1036656012.db2.gz PRDSFZXKHZGTHE-UHFFFAOYSA-N -1 0 345.345 3.553 20 0 EHADRM Cc1cc2occ(CC(=O)N=c3nc(C(C)(C)C)[n-]s3)c2cc1C ZINC000589938391 1036667475 /nfs/dbraw/zinc/66/74/75/1036667475.db2.gz VGLSROROOTTYDN-UHFFFAOYSA-N -1 0 343.452 3.802 20 0 EHADRM c1csc(-c2n[n-]c(=NCc3cccc(-c4ccccn4)c3)o2)c1 ZINC000541821537 1036674566 /nfs/dbraw/zinc/67/45/66/1036674566.db2.gz QJVZUUDCWODFJM-UHFFFAOYSA-N -1 0 334.404 3.894 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)C1 ZINC000263328236 1036777756 /nfs/dbraw/zinc/77/77/56/1036777756.db2.gz PFWPUZIKNFGEJA-QKLQHJQFSA-N -1 0 349.430 3.662 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1-c1cc(F)ccc1OC[C@@H]1CCOC1 ZINC000519000298 1036785331 /nfs/dbraw/zinc/78/53/31/1036785331.db2.gz AEVIIRVFPGDNBG-CYBMUJFWSA-N -1 0 330.355 3.915 20 0 EHADRM CC(C)c1cccc(-c2ccc(C(=O)NCC3(C(=O)[O-])CC3)o2)c1 ZINC000263438130 1036913791 /nfs/dbraw/zinc/91/37/91/1036913791.db2.gz LVWRMCPZFMDKEA-UHFFFAOYSA-N -1 0 327.380 3.665 20 0 EHADRM CC[C@](CNC(=O)c1cc(C)sc1C)(C(=O)[O-])c1ccccc1 ZINC000666371450 1036933475 /nfs/dbraw/zinc/93/34/75/1036933475.db2.gz GOPQAXFEFLDWNQ-GOSISDBHSA-N -1 0 331.437 3.527 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc2ccccc2c1)C1CCCCC1 ZINC000539605394 1036967048 /nfs/dbraw/zinc/96/70/48/1036967048.db2.gz VFWCWKSJQPKXJA-SFHVURJKSA-N -1 0 325.408 3.993 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000007053483 1036993000 /nfs/dbraw/zinc/99/30/00/1036993000.db2.gz QNTYJZAFYUQVAR-UHFFFAOYSA-N -1 0 333.356 3.627 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263519721 1037033713 /nfs/dbraw/zinc/03/37/13/1037033713.db2.gz GOTRJLWIQWKUJA-MRXNPFEDSA-N -1 0 343.423 3.917 20 0 EHADRM C[C@H](NC(=O)[C@]1(C(=O)[O-])CC=CCC1)c1cccc(Cl)c1Cl ZINC000653282933 1037052517 /nfs/dbraw/zinc/05/25/17/1037052517.db2.gz OQOAWDOEKZWIRY-QFYYESIMSA-N -1 0 342.222 3.982 20 0 EHADRM O=C(CSc1cccc(C(F)(F)F)c1)[N-]OCCC(F)(F)F ZINC000162922449 1037076771 /nfs/dbraw/zinc/07/67/71/1037076771.db2.gz VZRMCZRRIYGIFZ-UHFFFAOYSA-N -1 0 347.280 3.798 20 0 EHADRM CCC(CC)c1n[n-]c(=NCc2cnc(N(CC)CC)s2)s1 ZINC000539709261 1037098204 /nfs/dbraw/zinc/09/82/04/1037098204.db2.gz NCGCDPUOVVWORR-UHFFFAOYSA-N -1 0 339.534 3.778 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2c(C)cccc2Cl)cc1C ZINC000414376985 1037119444 /nfs/dbraw/zinc/11/94/44/1037119444.db2.gz BCQYNKZUWKARPZ-NSHDSACASA-N -1 0 341.864 3.925 20 0 EHADRM COc1ccc(S(=O)(=O)Nc2cccc(C)c2)c2ccccc12 ZINC000035685417 1037171630 /nfs/dbraw/zinc/17/16/30/1037171630.db2.gz HPHAJYFGZUVTQT-UHFFFAOYSA-N -1 0 327.405 3.958 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(C)cc2C)nn1[C@H](C)C1CC1 ZINC000542234754 1037185403 /nfs/dbraw/zinc/18/54/03/1037185403.db2.gz GTZGYPUWJISFMN-CQSZACIVSA-N -1 0 333.457 3.580 20 0 EHADRM CCCn1nc(C)c(-c2c(C)n(CC(=O)[O-])c3ccccc32)c1C ZINC000519655642 1037201684 /nfs/dbraw/zinc/20/16/84/1037201684.db2.gz VUZGITJNBLGLAG-UHFFFAOYSA-N -1 0 325.412 3.925 20 0 EHADRM Cc1cccc([C@@H](NC(=O)N2CCC[C@H](CC(=O)[O-])C2)C(C)(C)C)c1 ZINC000666535209 1037209125 /nfs/dbraw/zinc/20/91/25/1037209125.db2.gz ZTPKGNNSVONZNZ-CRAIPNDOSA-N -1 0 346.471 3.979 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)N=c2ncn(C(C)(C)C)[n-]2)cc1 ZINC000542245839 1037210030 /nfs/dbraw/zinc/21/00/30/1037210030.db2.gz XBINFKLFWIKRBS-UHFFFAOYSA-N -1 0 340.452 3.744 20 0 EHADRM O=C([O-])CCCCNC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000666562933 1037210655 /nfs/dbraw/zinc/21/06/55/1037210655.db2.gz XMGPCGLGSYGKGN-RCCFBDPRSA-N -1 0 344.455 3.609 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2sc(C)cc2C)cc1SC ZINC000414391017 1037263016 /nfs/dbraw/zinc/26/30/16/1037263016.db2.gz ZEYAGNPWGLCHOO-UHFFFAOYSA-N -1 0 343.495 3.896 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000659119306 1037285962 /nfs/dbraw/zinc/28/59/62/1037285962.db2.gz OCHUMIYJHLQNPP-QMTHXVAHSA-N -1 0 343.379 3.807 20 0 EHADRM CCc1ccc(O)c(C(=O)N2CCCN(C)c3cc(F)ccc32)c1 ZINC000539881043 1037319231 /nfs/dbraw/zinc/31/92/31/1037319231.db2.gz LSUJYDVNIRCJQH-UHFFFAOYSA-N -1 0 328.387 3.580 20 0 EHADRM COc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000006023968 1037331479 /nfs/dbraw/zinc/33/14/79/1037331479.db2.gz GCXLTWOIGCFJML-UHFFFAOYSA-N -1 0 332.208 3.803 20 0 EHADRM CN(CCCOc1ccccc1)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000177051836 1037342538 /nfs/dbraw/zinc/34/25/38/1037342538.db2.gz HJLSGTOFOHCCLQ-UHFFFAOYSA-N -1 0 337.778 3.726 20 0 EHADRM CC(C)(C)n1cnc(=NC(=O)N[C@H](c2ccccc2)C2CCCC2)[n-]1 ZINC000542438376 1037379517 /nfs/dbraw/zinc/37/95/17/1037379517.db2.gz PCOKATFGQQALDQ-MRXNPFEDSA-N -1 0 341.459 3.508 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)[C@]2(c3ccccc3)CC2(C)C)C1 ZINC000659146812 1037380186 /nfs/dbraw/zinc/38/01/86/1037380186.db2.gz WZGGXQBJVPFGAH-HRAATJIYSA-N -1 0 343.467 3.704 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C2CC2)cc1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000659159176 1037383066 /nfs/dbraw/zinc/38/30/66/1037383066.db2.gz LCZKETTWVJXDFI-AUUYWEPGSA-N -1 0 337.419 3.626 20 0 EHADRM c1ccc(CCOCCCN=c2nc(-c3ccccc3)[n-]s2)cc1 ZINC000462790910 1037400342 /nfs/dbraw/zinc/40/03/42/1037400342.db2.gz WCYPYAAFMRKVNX-UHFFFAOYSA-N -1 0 339.464 3.688 20 0 EHADRM CC(C)[C@@H](NC(=O)Cc1ccc(C(=O)[O-])cc1)c1ccccc1F ZINC000659179165 1037421387 /nfs/dbraw/zinc/42/13/87/1037421387.db2.gz JKHBMJCTCMMNGU-GOSISDBHSA-N -1 0 329.371 3.580 20 0 EHADRM Cc1nc(=N[C@@H](c2ccc(Br)cc2)C2CCC2)s[n-]1 ZINC000539970082 1037425924 /nfs/dbraw/zinc/42/59/24/1037425924.db2.gz RPJPMCHRCRNWGO-CYBMUJFWSA-N -1 0 338.274 3.984 20 0 EHADRM CC(C)(C(=O)[O-])C1CCN(c2ncnc3sc4c(c32)CCC4)CC1 ZINC000573253741 1037432665 /nfs/dbraw/zinc/43/26/65/1037432665.db2.gz BWSWPYODMOJRFX-UHFFFAOYSA-N -1 0 345.468 3.507 20 0 EHADRM CCC1(C)CCN(C(=O)N=c2[n-]nc(-c3ccsc3)s2)CC1 ZINC000591501491 1037451722 /nfs/dbraw/zinc/45/17/22/1037451722.db2.gz ZWQYVIKMMZMZKP-UHFFFAOYSA-N -1 0 336.486 3.733 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)CC/C=C\c2ccccc2)n1 ZINC000659186330 1037452051 /nfs/dbraw/zinc/45/20/51/1037452051.db2.gz HQPIGTZMUSZMNL-BDJZEXMMSA-N -1 0 341.411 3.741 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000659191587 1037458638 /nfs/dbraw/zinc/45/86/38/1037458638.db2.gz LXOYLDASXCSUOU-YCPHGPKFSA-N -1 0 333.428 3.817 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc3cc(Cl)ccc3s2)CC[C@@H]1C(=O)[O-] ZINC000659224955 1037520220 /nfs/dbraw/zinc/52/02/20/1037520220.db2.gz ARYXWJMUUABCCP-SKDRFNHKSA-N -1 0 337.828 3.738 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000659234494 1037547753 /nfs/dbraw/zinc/54/77/53/1037547753.db2.gz KEBFWPSDZMSVRA-LAUBAEHRSA-N -1 0 337.419 3.578 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000659234339 1037548181 /nfs/dbraw/zinc/54/81/81/1037548181.db2.gz RHMTYLQWDTXXGQ-RXVVDRJESA-N -1 0 337.419 3.656 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)CSc1ccc2ccccc2c1 ZINC000659235934 1037551781 /nfs/dbraw/zinc/55/17/81/1037551781.db2.gz RDBNYQMCYGTSFX-APWZRJJASA-N -1 0 343.448 3.692 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000659240381 1037564141 /nfs/dbraw/zinc/56/41/41/1037564141.db2.gz RPMXZNSSWYNMMR-KQFUTBAXSA-N -1 0 335.366 3.505 20 0 EHADRM CC(C)c1nc2n(n1)CCC[C@@H]2N=c1nc(C2CCCCC2)[n-]s1 ZINC000573829693 1037762944 /nfs/dbraw/zinc/76/29/44/1037762944.db2.gz PFFJFLBXLGLPML-ZDUSSCGKSA-N -1 0 346.504 3.670 20 0 EHADRM CC(C)C[C@H](C(=O)[O-])[S@](=O)[C@H](C)c1ccc(Br)cc1 ZINC000573897415 1037794623 /nfs/dbraw/zinc/79/46/23/1037794623.db2.gz ITARAGNISQRCIX-NMLGDKRHSA-N -1 0 347.274 3.758 20 0 EHADRM CSc1ccccc1CC(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000669434535 1037829939 /nfs/dbraw/zinc/82/99/39/1037829939.db2.gz SCUUADABLRUVAW-OAHLLOKOSA-N -1 0 341.432 3.556 20 0 EHADRM Cc1cc2ccccc2n1CC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000669434802 1037847891 /nfs/dbraw/zinc/84/78/91/1037847891.db2.gz YUGROMOPMNKVFR-KRWDZBQOSA-N -1 0 348.402 3.555 20 0 EHADRM CC(C)(c1n[n-]c(=NCC2(C)CCOCC2)s1)c1ccccc1 ZINC000463251580 1037951738 /nfs/dbraw/zinc/95/17/38/1037951738.db2.gz FKXDFKYTFGKWIF-UHFFFAOYSA-N -1 0 331.485 3.515 20 0 EHADRM Cc1cccc(C(C)(C)CNC(=O)c2cc(F)c(F)c([O-])c2F)c1 ZINC000183508680 1037952884 /nfs/dbraw/zinc/95/28/84/1037952884.db2.gz XWVLAGZNJYJAQZ-UHFFFAOYSA-N -1 0 337.341 3.826 20 0 EHADRM CC(C)(C)OC(=O)c1cccc(NC(=O)CC2(CC(=O)[O-])CCC2)c1 ZINC000592442251 1037982165 /nfs/dbraw/zinc/98/21/65/1037982165.db2.gz KRSQKMMDMKSMQQ-UHFFFAOYSA-N -1 0 347.411 3.616 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)c1Cl ZINC000540498028 1038019492 /nfs/dbraw/zinc/01/94/92/1038019492.db2.gz MHDSWIHOCWWUPE-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM CCn1c(C)cc(C([O-])=C[S@@](=O)Cc2cc(C)ccc2OC)c1C ZINC000125273830 1038300483 /nfs/dbraw/zinc/30/04/83/1038300483.db2.gz XAZZRBDOGPXLEG-XMMPIXPASA-N -1 0 347.480 3.573 20 0 EHADRM Cc1cc(CN=c2[n-]nc(Cc3ccc(Cl)cc3)o2)ccc1F ZINC000538506973 1038347773 /nfs/dbraw/zinc/34/77/73/1038347773.db2.gz QYBRRQLEDGRVEN-UHFFFAOYSA-N -1 0 331.778 3.795 20 0 EHADRM CCCCc1n[n-]c(=NCc2cc(C)c(Br)s2)o1 ZINC000538591846 1038421516 /nfs/dbraw/zinc/42/15/16/1038421516.db2.gz LPKHPGWVMGYGHB-UHFFFAOYSA-N -1 0 330.251 3.579 20 0 EHADRM CC(C)CCc1n[n-]c(=NCc2cc(F)cc(C(F)(F)F)c2)o1 ZINC000538593336 1038423184 /nfs/dbraw/zinc/42/31/84/1038423184.db2.gz JMCAJBLGOJALOQ-UHFFFAOYSA-N -1 0 331.313 3.850 20 0 EHADRM CCCc1n[n-]c(=NCc2cc(Cl)c(OCC)c(OC)c2)s1 ZINC000538608477 1038433111 /nfs/dbraw/zinc/43/31/11/1038433111.db2.gz RGHBPJMXWNXVLC-UHFFFAOYSA-N -1 0 341.864 3.585 20 0 EHADRM CC(C)(C)c1n[n-]c(=NCc2ccc(OCC(F)F)cc2)s1 ZINC000538609300 1038433881 /nfs/dbraw/zinc/43/38/81/1038433881.db2.gz XBJPQPGVRMDZQC-UHFFFAOYSA-N -1 0 327.400 3.514 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N[C@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000455917738 1038544433 /nfs/dbraw/zinc/54/44/33/1038544433.db2.gz IQYGDCPELHMBMS-CJNGLKHVSA-N -1 0 343.423 3.773 20 0 EHADRM O=C(COCCc1ccccc1)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000538830930 1038555197 /nfs/dbraw/zinc/55/51/97/1038555197.db2.gz XXDQDEXZKWLVDO-UHFFFAOYSA-N -1 0 340.206 3.897 20 0 EHADRM CCCCn1cc(CN=c2nc(-c3ccccc3)[n-]s2)c(C)n1 ZINC000539107147 1038676329 /nfs/dbraw/zinc/67/63/29/1038676329.db2.gz NMKMDYQZUWEOTE-UHFFFAOYSA-N -1 0 327.457 3.544 20 0 EHADRM CCCc1nc(=N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)s[n-]1 ZINC000461952524 1038693298 /nfs/dbraw/zinc/69/32/98/1038693298.db2.gz BOHPOFSWQGXKRV-SECBINFHSA-N -1 0 349.847 3.789 20 0 EHADRM Cc1cc2occ(CC(=O)N[C@]3(C)CCCC[C@H]3C(=O)[O-])c2cc1C ZINC000431888194 1038771344 /nfs/dbraw/zinc/77/13/44/1038771344.db2.gz UZXHAMFOGAKXCJ-OXJNMPFZSA-N -1 0 343.423 3.742 20 0 EHADRM O=C([O-])C12CCC(C(=O)Nc3cccc(C4CCOCC4)c3)(CC1)C2 ZINC000910236811 1038781730 /nfs/dbraw/zinc/78/17/30/1038781730.db2.gz QPYZABIQNIAVFK-UHFFFAOYSA-N -1 0 343.423 3.554 20 0 EHADRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)C(C)(C)C1CC1 ZINC000910256618 1038792278 /nfs/dbraw/zinc/79/22/78/1038792278.db2.gz YNNCCAOFUAWAPP-UHFFFAOYSA-N -1 0 340.217 3.830 20 0 EHADRM Cc1cc(C)cc([C@H](NCc2noc(C3CCCCC3)n2)C(=O)[O-])c1 ZINC000905391291 1038847369 /nfs/dbraw/zinc/84/73/69/1038847369.db2.gz MRZYAIHVCJEETH-KRWDZBQOSA-N -1 0 343.427 3.650 20 0 EHADRM CCC(CC)n1ccc(CN[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)n1 ZINC000905391377 1038877253 /nfs/dbraw/zinc/87/72/53/1038877253.db2.gz OQBWGIBUAUQWEZ-GOSISDBHSA-N -1 0 329.444 3.777 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000910472240 1038929256 /nfs/dbraw/zinc/92/92/56/1038929256.db2.gz MVPHPQQQPYHHSP-RCCFBDPRSA-N -1 0 345.439 3.544 20 0 EHADRM O=C([O-])C1CC2(C1)C[C@H](Nc1ncc(-c3ccccc3)s1)CCO2 ZINC000910488829 1038937086 /nfs/dbraw/zinc/93/70/86/1038937086.db2.gz VIZRKDPNQAGUAP-TXKKKEFDSA-N -1 0 344.436 3.634 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN(C(=O)CCCCc1ccccc1)C2 ZINC000910503201 1038950297 /nfs/dbraw/zinc/95/02/97/1038950297.db2.gz ZPPUTPLDQXBASN-UHFFFAOYSA-N -1 0 337.419 3.683 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000910623045 1038991259 /nfs/dbraw/zinc/99/12/59/1038991259.db2.gz ZSDXLPYULRCODN-CZUORRHYSA-N -1 0 349.427 3.563 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)c2ccc(OC3CCCC3)cc2)s1 ZINC000615152936 1038994645 /nfs/dbraw/zinc/99/46/45/1038994645.db2.gz BQNHEPBQHXZSBK-UHFFFAOYSA-N -1 0 345.468 3.831 20 0 EHADRM COc1ccc(O)c([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c1 ZINC000485381847 1038999602 /nfs/dbraw/zinc/99/96/02/1038999602.db2.gz BMTXBTVKHGEUEZ-UHFFFAOYSA-N -1 0 348.207 3.508 20 0 EHADRM C[C@H](C(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccc(Cl)cc1 ZINC000910645211 1039002461 /nfs/dbraw/zinc/00/24/61/1039002461.db2.gz CWHCONUOGVHFFK-VIFPVBQESA-N -1 0 338.816 3.556 20 0 EHADRM CCCCn1ncc(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)c1C(C)C ZINC000910656641 1039004704 /nfs/dbraw/zinc/00/47/04/1039004704.db2.gz NUCCHYROQBPWJC-VQHVLOKHSA-N -1 0 345.399 3.750 20 0 EHADRM CCCCCOc1ccc(C(=O)Nc2ncc(CC(=O)[O-])s2)cc1 ZINC000910671817 1039011726 /nfs/dbraw/zinc/01/17/26/1039011726.db2.gz BUISRNKHEHCEJH-UHFFFAOYSA-N -1 0 348.424 3.592 20 0 EHADRM CCOc1c(Cl)cccc1CN=c1[n-]nc(-c2ccccn2)s1 ZINC000432747864 1039013196 /nfs/dbraw/zinc/01/31/96/1039013196.db2.gz QVUKMNPLQPRBAX-UHFFFAOYSA-N -1 0 346.843 3.686 20 0 EHADRM COc1ccc(CNc2cc(C(=O)[O-])ccc2OC(C)C)c(OC)c1 ZINC000485402419 1039014758 /nfs/dbraw/zinc/01/47/58/1039014758.db2.gz VRJWOCJHQKJKAC-UHFFFAOYSA-N -1 0 345.395 3.801 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)Nc1nn(C2CCCCC2)cc1C ZINC000910647281 1039015004 /nfs/dbraw/zinc/01/50/04/1039015004.db2.gz AIWNVOHTHCBRFW-UHFFFAOYSA-N -1 0 331.372 3.549 20 0 EHADRM CCSCc1cccnc1NC(=O)c1ccccc1CCC(=O)[O-] ZINC000910684806 1039019329 /nfs/dbraw/zinc/01/93/29/1039019329.db2.gz RDANCDBWBNQWGZ-UHFFFAOYSA-N -1 0 344.436 3.604 20 0 EHADRM CC(C)c1sc(NC(=O)[C@@H](C)OCc2ccccc2)nc1C(=O)[O-] ZINC000910698980 1039026080 /nfs/dbraw/zinc/02/60/80/1039026080.db2.gz KOIIHDSHSZLSBV-LLVKDONJSA-N -1 0 348.424 3.509 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)[C@@H]2CCCC[C@H]2C)nc1C(=O)[O-] ZINC000910722914 1039033142 /nfs/dbraw/zinc/03/31/42/1039033142.db2.gz VFKCXIXFKPCLJG-RTXFEEFZSA-N -1 0 336.457 3.640 20 0 EHADRM C[C@H](CC(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)c1cccc(F)c1 ZINC000910731340 1039039860 /nfs/dbraw/zinc/03/98/60/1039039860.db2.gz GZYRCCPPJFPOIC-SECBINFHSA-N -1 0 348.399 3.990 20 0 EHADRM CS[C@H](C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)c1ccccc1 ZINC000910741476 1039051500 /nfs/dbraw/zinc/05/15/00/1039051500.db2.gz UOQLIBPYFWPWGA-ZDUSSCGKSA-N -1 0 348.449 3.762 20 0 EHADRM CC1(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)CCC(F)(F)CC1 ZINC000910741181 1039051582 /nfs/dbraw/zinc/05/15/82/1039051582.db2.gz FGMPPEOQFYYJMZ-UHFFFAOYSA-N -1 0 344.383 3.873 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1cccc(Cl)c1OC ZINC000488294043 1039061222 /nfs/dbraw/zinc/06/12/22/1039061222.db2.gz GSKQPLHBHROEAL-UHFFFAOYSA-N -1 0 325.817 3.712 20 0 EHADRM COc1cc(Cl)c(C(=O)Nc2cccc(Cl)c2[O-])cc1OC ZINC000338972595 1039109217 /nfs/dbraw/zinc/10/92/17/1039109217.db2.gz KRBORBFGOBHZQL-UHFFFAOYSA-N -1 0 342.178 3.969 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC000910950640 1039153646 /nfs/dbraw/zinc/15/36/46/1039153646.db2.gz ZGZYIMPLYJAPTO-AWEZNQCLSA-N -1 0 337.441 3.783 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1ccn(C2CCCCC2)n1 ZINC000910957829 1039157758 /nfs/dbraw/zinc/15/77/58/1039157758.db2.gz FCVCXDPEVFYPHE-UHFFFAOYSA-N -1 0 341.411 3.901 20 0 EHADRM CCOCc1nc(C)c(C(=O)Nc2ccc(C(=O)[O-])cc2CC)s1 ZINC000910960193 1039160895 /nfs/dbraw/zinc/16/08/95/1039160895.db2.gz YWSOONCVFVOCPV-UHFFFAOYSA-N -1 0 348.424 3.501 20 0 EHADRM CCN(C(=O)Cc1nc(C(C)C)c(C)s1)c1cccc(C(=O)[O-])c1 ZINC000910966087 1039162586 /nfs/dbraw/zinc/16/25/86/1039162586.db2.gz CIYGDJXGYMDULS-UHFFFAOYSA-N -1 0 346.452 3.869 20 0 EHADRM CCN(C(=O)CCCc1ccc(O)c(F)c1)c1cccc(C(=O)[O-])c1 ZINC000910968944 1039173007 /nfs/dbraw/zinc/17/30/07/1039173007.db2.gz WLZPMYZVSWHOHZ-UHFFFAOYSA-N -1 0 345.370 3.605 20 0 EHADRM Cc1cc(-n2cc(N)c3cc(Br)ccc32)ccc1C(=O)[O-] ZINC001211652697 1039173766 /nfs/dbraw/zinc/17/37/66/1039173766.db2.gz LNXPROODEYJJCS-UHFFFAOYSA-N -1 0 345.196 3.982 20 0 EHADRM O=S(=O)([N-][C@@H](c1cccc2ccccc21)C(F)(F)F)C1CC1 ZINC000512447323 1039188016 /nfs/dbraw/zinc/18/80/16/1039188016.db2.gz LFWHGWZJUGWGMV-AWEZNQCLSA-N -1 0 329.343 3.525 20 0 EHADRM O=C([O-])c1cnc([C@H]2CCN(C(=O)CC3CCCCCC3)C2)s1 ZINC000911034619 1039206368 /nfs/dbraw/zinc/20/63/68/1039206368.db2.gz NTUYJBHQXOGDCY-ZDUSSCGKSA-N -1 0 336.457 3.518 20 0 EHADRM COc1ccc(Br)cc1/C=C/C(=O)c1ccc(O)cc1[O-] ZINC000149046660 1039207580 /nfs/dbraw/zinc/20/75/80/1039207580.db2.gz YIPCEKJQDDDOGY-QHHAFSJGSA-N -1 0 349.180 3.765 20 0 EHADRM CCO[C@@H]1C[C@H](N(C)C(=O)c2cc(F)cc(Cl)c2[O-])C12CCC2 ZINC000164265786 1039210950 /nfs/dbraw/zinc/21/09/50/1039210950.db2.gz SATAQLXIFKLAER-UONOGXRCSA-N -1 0 341.810 3.604 20 0 EHADRM C[C@@]1(Cc2cc(Cl)cs2)CCCN1C(=O)CCCC(=O)[O-] ZINC000911062485 1039219443 /nfs/dbraw/zinc/21/94/43/1039219443.db2.gz OSULMZREXYKQAK-HNNXBMFYSA-N -1 0 329.849 3.580 20 0 EHADRM C[C@]1(Cc2cc(Cl)cs2)CCCN1C(=O)CCCC(=O)[O-] ZINC000911062486 1039219627 /nfs/dbraw/zinc/21/96/27/1039219627.db2.gz OSULMZREXYKQAK-OAHLLOKOSA-N -1 0 329.849 3.580 20 0 EHADRM O=C([O-])C1CCC(CC(=O)Nc2ccccc2N2CCCCC2)CC1 ZINC000911093445 1039229291 /nfs/dbraw/zinc/22/92/91/1039229291.db2.gz XSKNQNQCHJIQCQ-UHFFFAOYSA-N -1 0 344.455 3.897 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)c1occc1CSc1ccccc1 ZINC000236824343 1039264387 /nfs/dbraw/zinc/26/43/87/1039264387.db2.gz BYULQPPXTRSKML-UHFFFAOYSA-N -1 0 333.409 3.509 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)N2C[C@H](C)[C@@H](C)[C@H]2C)s[n-]1 ZINC000417001789 1039312523 /nfs/dbraw/zinc/31/25/23/1039312523.db2.gz UBLHUPPQVJSXAG-HBNTYKKESA-N -1 0 336.486 3.505 20 0 EHADRM CC[C@]1(C)Oc2ccc(NC(=O)C34CCC(C(=O)[O-])(CC3)C4)cc2O1 ZINC000911351372 1039331189 /nfs/dbraw/zinc/33/11/89/1039331189.db2.gz BRKMOOXVEOCYDD-LMDPOFIKSA-N -1 0 345.395 3.558 20 0 EHADRM COc1ccc2cc([C@@H](C)C(=O)NCCCCCC(=O)[O-])ccc2c1 ZINC000237320137 1039337816 /nfs/dbraw/zinc/33/78/16/1039337816.db2.gz WPFHOQRWETVFRS-CQSZACIVSA-N -1 0 343.423 3.713 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)Nc2cccc(NC3CCCC3)c2)o1 ZINC000911367871 1039342129 /nfs/dbraw/zinc/34/21/29/1039342129.db2.gz ZZFSXHJSMGIBJE-PKNBQFBNSA-N -1 0 340.379 3.984 20 0 EHADRM Cc1cc(F)ccc1[C@H]1CCCN1C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000911400777 1039353523 /nfs/dbraw/zinc/35/35/23/1039353523.db2.gz YOSDLIUBRKJGKP-YXMGTMDOSA-N -1 0 343.354 3.802 20 0 EHADRM CCC(CC)(CC(=O)N(Cc1ccco1)Cc1ccco1)C(=O)[O-] ZINC000324350407 1039376989 /nfs/dbraw/zinc/37/69/89/1039376989.db2.gz FMPOVTRHUHYBPN-UHFFFAOYSA-N -1 0 333.384 3.683 20 0 EHADRM O=C([O-])c1nn2c(c1-c1ccc3[nH]c(C(F)(F)F)cc3c1)CCC2 ZINC000906249016 1039411640 /nfs/dbraw/zinc/41/16/40/1039411640.db2.gz UKNQTSRJNQKHNP-UHFFFAOYSA-N -1 0 335.285 3.695 20 0 EHADRM CO[C@H](C(=O)[O-])c1ccc(-c2ccccc2OC[C@@H]2CCOC2)s1 ZINC000906241927 1039428030 /nfs/dbraw/zinc/42/80/30/1039428030.db2.gz XXVGORSQAAIDIK-PXAZEXFGSA-N -1 0 348.420 3.603 20 0 EHADRM Cc1ccc(CO[C@@H](C)C(=O)Nc2cc(C(=O)[O-])c(C)cc2F)cc1 ZINC000911687248 1039460034 /nfs/dbraw/zinc/46/00/34/1039460034.db2.gz CZFLJMLOKZTAAN-ZDUSSCGKSA-N -1 0 345.370 3.685 20 0 EHADRM Cc1ccccc1CO[C@@H](C)C(=O)Nc1cc(C(=O)[O-])c(C)cc1F ZINC000911688765 1039463032 /nfs/dbraw/zinc/46/30/32/1039463032.db2.gz MOQVULUTYGLGLF-ZDUSSCGKSA-N -1 0 345.370 3.685 20 0 EHADRM O=C([O-])CCCCC(=O)N[C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000911698615 1039466876 /nfs/dbraw/zinc/46/68/76/1039466876.db2.gz BFAHYSUUTXYZMW-LLVKDONJSA-N -1 0 346.210 3.578 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)o1 ZINC000326654456 1039474502 /nfs/dbraw/zinc/47/45/02/1039474502.db2.gz BSOCOOAEXFODFT-WLGNDBIMSA-N -1 0 345.439 3.580 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)CCCOCCc2ccccc2)c1 ZINC000238098426 1039488728 /nfs/dbraw/zinc/48/87/28/1039488728.db2.gz VJUJKBOAFOLROT-UHFFFAOYSA-N -1 0 345.370 3.502 20 0 EHADRM COC1(CSc2n[n-]c(=NCc3ccccc3)s2)CCCC1 ZINC000478554862 1039536531 /nfs/dbraw/zinc/53/65/31/1039536531.db2.gz WXYICYOLZXJCGF-UHFFFAOYSA-N -1 0 335.498 3.623 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)CCC2)c1ccc(F)cc1Cl ZINC000485794354 1039546616 /nfs/dbraw/zinc/54/66/16/1039546616.db2.gz QNQRVJISUIJZLJ-UHFFFAOYSA-N -1 0 325.792 3.769 20 0 EHADRM Fc1cccc2oc(Sc3n[n-]c(=NCc4ccco4)s3)nc21 ZINC000485819874 1039598618 /nfs/dbraw/zinc/59/86/18/1039598618.db2.gz SBCSOUJVZIPBRK-UHFFFAOYSA-N -1 0 348.384 3.597 20 0 EHADRM C[C@@H](CCNC(=O)CC(C)(C)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000554729696 1039636440 /nfs/dbraw/zinc/63/64/40/1039636440.db2.gz PCKQTOISLZELOC-NSHDSACASA-N -1 0 345.361 3.816 20 0 EHADRM CC(C)(CC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1)C(=O)[O-] ZINC000554729797 1039636532 /nfs/dbraw/zinc/63/65/32/1039636532.db2.gz MGDZLEUJUXIYGN-UHFFFAOYSA-N -1 0 343.345 3.702 20 0 EHADRM CC(C)(CC(=O)Nc1nc2ccccc2n1C1CCCC1)C(=O)[O-] ZINC000554729680 1039637185 /nfs/dbraw/zinc/63/71/85/1039637185.db2.gz NVAIQOPXXHKCTH-UHFFFAOYSA-N -1 0 329.400 3.591 20 0 EHADRM CC[C@@H](C)c1ncc([N-]S(=O)(=O)c2cc(C)c(Cl)s2)cn1 ZINC000478701510 1039657905 /nfs/dbraw/zinc/65/79/05/1039657905.db2.gz IOBLMMMGRZVVFF-MRVPVSSYSA-N -1 0 345.877 3.814 20 0 EHADRM CCc1ccccc1OCC(=O)Nc1cc(C)c(C)c(C(=O)[O-])c1 ZINC000485934203 1039700912 /nfs/dbraw/zinc/70/09/12/1039700912.db2.gz LTHTWLSJEXRRFM-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM Cc1cccc(CO[N-]C(=O)[C@H](C)Sc2ccc(Cl)cc2)n1 ZINC000898937853 1039743899 /nfs/dbraw/zinc/74/38/99/1039743899.db2.gz MFHWEJFOZRSZNQ-LBPRGKRZSA-N -1 0 336.844 3.772 20 0 EHADRM Cn1cc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)c(C2CCCC2)n1 ZINC000907023055 1039889176 /nfs/dbraw/zinc/88/91/76/1039889176.db2.gz WQSKZLKSWPCTGA-UHFFFAOYSA-N -1 0 342.424 3.760 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1nc2ccsc2s1 ZINC000479057892 1039924588 /nfs/dbraw/zinc/92/45/88/1039924588.db2.gz IUTYOGQGDQSVPF-UHFFFAOYSA-N -1 0 328.415 3.606 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccccc2)s1)Nc1ccc(O)c(Cl)c1 ZINC000486170114 1039950267 /nfs/dbraw/zinc/95/02/67/1039950267.db2.gz VMUGSJQZYUPBCD-UHFFFAOYSA-N -1 0 346.799 3.630 20 0 EHADRM CCc1cc(C(=O)NCCCCC(=O)[O-])sc1-c1ccccc1 ZINC000655539097 1039956487 /nfs/dbraw/zinc/95/64/87/1039956487.db2.gz LPXNDRMYVRCDJH-UHFFFAOYSA-N -1 0 331.437 3.962 20 0 EHADRM CCc1cccnc1[N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000479125973 1039977919 /nfs/dbraw/zinc/97/79/19/1039977919.db2.gz ITVLPGIGBVLBRO-UHFFFAOYSA-N -1 0 344.358 3.550 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H]([NH2+]Cc1cnc(C2CCC2)s1)c1ccccc1 ZINC000417561983 1039983245 /nfs/dbraw/zinc/98/32/45/1039983245.db2.gz LRZPQNRXCFFEST-BLLLJJGKSA-N -1 0 330.453 3.962 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NCc1ccc2c(c1)ncn2C ZINC000417561215 1039986376 /nfs/dbraw/zinc/98/63/76/1039986376.db2.gz CWSLHGQNUHPVGM-UHFFFAOYSA-N -1 0 339.395 3.671 20 0 EHADRM O=S(=O)([N-]c1cccc2c1OCCC2)c1cc(F)cc(Cl)c1 ZINC000549823961 1039991255 /nfs/dbraw/zinc/99/12/55/1039991255.db2.gz KQJKXSJFLORIAL-UHFFFAOYSA-N -1 0 341.791 3.605 20 0 EHADRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000533947283 1039998451 /nfs/dbraw/zinc/99/84/51/1039998451.db2.gz SLTFNJWQPRKBMR-UHFFFAOYSA-N -1 0 347.827 3.839 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cc(-n3cccn3)ccc2C)s1 ZINC000473435477 1040015128 /nfs/dbraw/zinc/01/51/28/1040015128.db2.gz RWTATRNJPXAFFO-UHFFFAOYSA-N -1 0 347.465 3.605 20 0 EHADRM COc1ccc(OC)c(CNc2ccc(CCCC(=O)[O-])cc2)c1 ZINC000417586195 1040040372 /nfs/dbraw/zinc/04/03/72/1040040372.db2.gz QLRYNFPVKDVYOJ-UHFFFAOYSA-N -1 0 329.396 3.723 20 0 EHADRM CCc1nc(CN[C@]2(C(=O)[O-])CCC(C)(C)c3ccccc32)cs1 ZINC000417592925 1040045221 /nfs/dbraw/zinc/04/52/21/1040045221.db2.gz USDITJQIUFSLCC-LJQANCHMSA-N -1 0 344.480 3.847 20 0 EHADRM C[C@H](Cc1ccc(NCc2ccc(Br)cn2)cc1)C(=O)[O-] ZINC000417606672 1040057199 /nfs/dbraw/zinc/05/71/99/1040057199.db2.gz DYIJOSPLRLXTAK-LLVKDONJSA-N -1 0 349.228 3.719 20 0 EHADRM C[C@@H](CC(=O)[O-])c1ccc(NCc2ccc(N3CCCC3)nc2)cc1 ZINC000417614853 1040083911 /nfs/dbraw/zinc/08/39/11/1040083911.db2.gz VZXKKBDBYXVQOS-HNNXBMFYSA-N -1 0 339.439 3.872 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1cc(C2CC2)oc1C1CC1)c1ccccc1 ZINC000907597665 1040105249 /nfs/dbraw/zinc/10/52/49/1040105249.db2.gz UJLOXYMIHKVSSU-INIZCTEOSA-N -1 0 339.391 3.633 20 0 EHADRM Cc1oc2ccccc2c1CCN=c1nc(C(F)(F)F)[n-]s1 ZINC000553493014 1040106672 /nfs/dbraw/zinc/10/66/72/1040106672.db2.gz NGMXKNUHPSVHGT-UHFFFAOYSA-N -1 0 327.331 3.688 20 0 EHADRM CCCc1ccccc1C(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000907628214 1040111419 /nfs/dbraw/zinc/11/14/19/1040111419.db2.gz JQUKJRVHPHKENL-NSHDSACASA-N -1 0 332.425 3.593 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cc(C3CC3)oc2C2CC2)C1 ZINC000907629445 1040111820 /nfs/dbraw/zinc/11/18/20/1040111820.db2.gz QXEOCUUQGYEZML-CQSZACIVSA-N -1 0 345.439 3.997 20 0 EHADRM COc1cccc(OC)c1CNc1ccc(S[C@@H](C)C(=O)[O-])cc1 ZINC000417662335 1040129005 /nfs/dbraw/zinc/12/90/05/1040129005.db2.gz UKPCSWKUTHHDKD-LBPRGKRZSA-N -1 0 347.436 3.881 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)c2ccoc2C(C)C)s[n-]1 ZINC000480929334 1040180346 /nfs/dbraw/zinc/18/03/46/1040180346.db2.gz AGKFNJUIOMAWRQ-UHFFFAOYSA-N -1 0 333.438 3.966 20 0 EHADRM CSc1ccc(N(C)C(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)cc1 ZINC000907813783 1040182311 /nfs/dbraw/zinc/18/23/11/1040182311.db2.gz LFJRNDZPTZGFPP-APWZRJJASA-N -1 0 341.432 3.630 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)N(C)CCCC(=O)[O-] ZINC000417756397 1040215392 /nfs/dbraw/zinc/21/53/92/1040215392.db2.gz SBQBSRJPDXEFFH-UHFFFAOYSA-N -1 0 330.837 3.781 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)c3cc(Cl)cc4ccccc43)[C@@H]2C1 ZINC000907945690 1040239102 /nfs/dbraw/zinc/23/91/02/1040239102.db2.gz AWEXQLUMDAXXOY-RYPCIWMOSA-N -1 0 343.810 3.722 20 0 EHADRM Cc1ncc(C(=O)[O-])cc1C(=O)Nc1cccc(OC(C)(C)C)c1 ZINC000907969232 1040252535 /nfs/dbraw/zinc/25/25/35/1040252535.db2.gz BNDVELACQVJEEM-UHFFFAOYSA-N -1 0 328.368 3.518 20 0 EHADRM CC1(c2cc(NC(=O)N3CCCC[C@@H]3CCC(=O)[O-])no2)CCCC1 ZINC000899313061 1040313887 /nfs/dbraw/zinc/31/38/87/1040313887.db2.gz DWXYKMDRKXITBS-CYBMUJFWSA-N -1 0 349.431 3.758 20 0 EHADRM COc1cccc(OC)c1S(=O)(=O)[N-]c1cccc2ccsc21 ZINC000479526496 1040324087 /nfs/dbraw/zinc/32/40/87/1040324087.db2.gz MVJFQNMDOPRINN-UHFFFAOYSA-N -1 0 349.433 3.719 20 0 EHADRM C[C@@H]1CCC[C@@H](C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)C1 ZINC000345887345 1040332773 /nfs/dbraw/zinc/33/27/73/1040332773.db2.gz OMWOJCGYHZMUAI-IXPVHAAZSA-N -1 0 341.810 3.937 20 0 EHADRM COc1cc([C@@H](C)NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc2ccccc21 ZINC000908222896 1040348049 /nfs/dbraw/zinc/34/80/49/1040348049.db2.gz ZYWZHXKICGMTJP-YUELXQCFSA-N -1 0 341.407 3.527 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1ccccc1C(F)(F)F)CC1CCCC1 ZINC000908276826 1040378116 /nfs/dbraw/zinc/37/81/16/1040378116.db2.gz KGPWPQISMBQIIT-LBPRGKRZSA-N -1 0 343.345 3.716 20 0 EHADRM C[C@H]1CCN(C(=O)c2n[n-]c3ccccc3c2=O)[C@@H]1c1ccccc1 ZINC000899375683 1040391697 /nfs/dbraw/zinc/39/16/97/1040391697.db2.gz MGAKRUXQDNVMGE-UGSOOPFHSA-N -1 0 333.391 3.559 20 0 EHADRM Cc1ccsc1[C@H]1C[C@H]1C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908337253 1040399268 /nfs/dbraw/zinc/39/92/68/1040399268.db2.gz ABIGCZPSZMFQEJ-UONOGXRCSA-N -1 0 335.469 3.701 20 0 EHADRM C[C@H](CC(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1)Cc1ccc(Cl)cc1 ZINC000908376381 1040420318 /nfs/dbraw/zinc/42/03/18/1040420318.db2.gz XGYUVUVHNHIGIQ-DUVNUKRYSA-N -1 0 337.847 3.668 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C1=CCCCC1)c1ccc(C(F)(F)F)cc1 ZINC000908419709 1040441855 /nfs/dbraw/zinc/44/18/55/1040441855.db2.gz PEYPAYOHDYSYCJ-CQSZACIVSA-N -1 0 341.329 3.838 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C1=CCCCC1)c1ccc(C(F)(F)F)cc1 ZINC000908419707 1040441928 /nfs/dbraw/zinc/44/19/28/1040441928.db2.gz PEYPAYOHDYSYCJ-AWEZNQCLSA-N -1 0 341.329 3.838 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)N=c1cc(C(F)(F)F)[n-][nH]1 ZINC000479637455 1040470266 /nfs/dbraw/zinc/47/02/66/1040470266.db2.gz OSTYQMNBXMFPLC-ZETCQYMHSA-N -1 0 349.765 3.623 20 0 EHADRM FC(F)(F)[C@H]1CCCC[C@@H]1CN=c1[n-]nc(C2CCOCC2)s1 ZINC000645038260 1040470792 /nfs/dbraw/zinc/47/07/92/1040470792.db2.gz GHHWILOBUBDADU-NEPJUHHUSA-N -1 0 349.422 3.635 20 0 EHADRM CCSc1ccccc1CC(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000908636880 1040544529 /nfs/dbraw/zinc/54/45/29/1040544529.db2.gz FHXSVMZKRNBCKP-ZDUSSCGKSA-N -1 0 349.477 3.735 20 0 EHADRM CC(C)OCc1cccc(NC(=O)N[C@H](CC(C)(C)C)C(=O)[O-])c1 ZINC000908618185 1040548260 /nfs/dbraw/zinc/54/82/60/1040548260.db2.gz MGRVSYOMJDUVAX-OAHLLOKOSA-N -1 0 336.432 3.623 20 0 EHADRM CCOc1ccc(NC(=O)N(Cc2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000908614998 1040548618 /nfs/dbraw/zinc/54/86/18/1040548618.db2.gz QNGQXKVRXPKNJB-CQSZACIVSA-N -1 0 342.395 3.593 20 0 EHADRM O=C([O-])[C@H]1CCC(=O)N1Cc1ccc(-c2ccccc2C(F)F)cc1 ZINC000563635805 1040559687 /nfs/dbraw/zinc/55/96/87/1040559687.db2.gz JGCMRTCZGXCXBI-MRXNPFEDSA-N -1 0 345.345 3.867 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cnn(CC3CCCC3)c2)cc1Cl ZINC000908682844 1040572172 /nfs/dbraw/zinc/57/21/72/1040572172.db2.gz HPPQPZXKFBCDQW-UHFFFAOYSA-N -1 0 347.802 3.677 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccc2ccccc2c1)c1ccc(F)cc1 ZINC000042232992 1040581038 /nfs/dbraw/zinc/58/10/38/1040581038.db2.gz HIMMMFXCZFYLOD-UHFFFAOYSA-N -1 0 329.352 3.672 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C[C@@H](c2ccc(O)cc2)C2CC2)cc1 ZINC000908674037 1040584048 /nfs/dbraw/zinc/58/40/48/1040584048.db2.gz WNWHFQPLORHLSV-QGZVFWFLSA-N -1 0 325.364 3.613 20 0 EHADRM Cc1ccc([C@]2(C)CCN(C(=O)c3cc(=O)c4ccccc4[nH]3)C2)cc1 ZINC000364255043 1040584864 /nfs/dbraw/zinc/58/48/64/1040584864.db2.gz OGQPYSASBNLBKO-JOCHJYFZSA-N -1 0 346.430 3.640 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)c1ccoc1CC(=O)[O-] ZINC000908730285 1040612657 /nfs/dbraw/zinc/61/26/57/1040612657.db2.gz RSQUYJFLDNXAAS-UHFFFAOYSA-N -1 0 337.759 3.601 20 0 EHADRM C[C@@H](CN(C)C(=O)c1ccccc1CCC(=O)[O-])c1ccccc1 ZINC000908775739 1040633836 /nfs/dbraw/zinc/63/38/36/1040633836.db2.gz JBVJJMOIQDYWLV-HNNXBMFYSA-N -1 0 325.408 3.580 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N2CCC[C@]3(CC=CCC3)C2)s1 ZINC000512719310 1040636494 /nfs/dbraw/zinc/63/64/94/1040636494.db2.gz BGBAEKVTASECLT-QGZVFWFLSA-N -1 0 334.489 3.657 20 0 EHADRM CCN(Cc1c(F)cccc1F)C(=O)c1ccccc1CCC(=O)[O-] ZINC000908771589 1040643905 /nfs/dbraw/zinc/64/39/05/1040643905.db2.gz PAQDSYLYPIAUGC-UHFFFAOYSA-N -1 0 347.361 3.644 20 0 EHADRM Cc1c2ccccc2oc1CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000908807585 1040662629 /nfs/dbraw/zinc/66/26/29/1040662629.db2.gz QCAWSFRVLMQEFJ-UHFFFAOYSA-N -1 0 341.407 3.783 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000908819004 1040666639 /nfs/dbraw/zinc/66/66/39/1040666639.db2.gz AGEMWSNRUQEZPL-UONOGXRCSA-N -1 0 327.380 3.613 20 0 EHADRM Cc1c(NC(=O)C[C@H](c2ccc(O)cc2)C2CC2)cccc1C(=O)[O-] ZINC000908843657 1040677433 /nfs/dbraw/zinc/67/74/33/1040677433.db2.gz OKSVLSXQWOPBAI-KRWDZBQOSA-N -1 0 339.391 3.921 20 0 EHADRM CN=c1[n-]nc(S[C@H](C)c2ccc(Br)cc2)s1 ZINC000487096219 1040700943 /nfs/dbraw/zinc/70/09/43/1040700943.db2.gz AUQRBPKOQRZNLF-SSDOTTSWSA-N -1 0 330.276 3.618 20 0 EHADRM COc1cccc([C@@H](C)CCCC(=O)NC(C)(C)CCC(=O)[O-])c1 ZINC000908946800 1040718506 /nfs/dbraw/zinc/71/85/06/1040718506.db2.gz RAKUENQXDXJTMV-AWEZNQCLSA-N -1 0 335.444 3.729 20 0 EHADRM Cc1nc(CC2CC2)sc1C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000909083918 1040791313 /nfs/dbraw/zinc/79/13/13/1040791313.db2.gz OCCOGXQOSKMHCY-UHFFFAOYSA-N -1 0 330.409 3.663 20 0 EHADRM Cc1c(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cnn1CCC(C)C ZINC000909110561 1040828264 /nfs/dbraw/zinc/82/82/64/1040828264.db2.gz OCVOOIRXWWASEP-UHFFFAOYSA-N -1 0 349.818 3.842 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2CCC[C@@H]2CC2CCCCC2)s1 ZINC000490951514 1040836147 /nfs/dbraw/zinc/83/61/47/1040836147.db2.gz OSVQKDGHOUXHJZ-CQSZACIVSA-N -1 0 336.505 3.879 20 0 EHADRM O=S(=O)([N-]c1cc(-c2ccccc2)on1)c1cccc(Cl)c1 ZINC000481397170 1040846488 /nfs/dbraw/zinc/84/64/88/1040846488.db2.gz CYEFVQQRCZYIQA-UHFFFAOYSA-N -1 0 334.784 3.796 20 0 EHADRM CCOCc1ccc(-c2cccc3c2NC(=O)[C@@H]3CC(=O)[O-])cc1F ZINC000899634387 1040886379 /nfs/dbraw/zinc/88/63/79/1040886379.db2.gz UVVDWVLNIXYPKX-OAHLLOKOSA-N -1 0 343.354 3.540 20 0 EHADRM COc1cc(C(=O)[O-])cc(-c2cc(F)ccc2OC[C@@H]2CCOC2)c1 ZINC000899636107 1040886940 /nfs/dbraw/zinc/88/69/40/1040886940.db2.gz XIBKGHKKLIHWNZ-GFCCVEGCSA-N -1 0 346.354 3.615 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(C)c3c[nH]nc32)sc1Cl ZINC000473479672 1040892571 /nfs/dbraw/zinc/89/25/71/1040892571.db2.gz IENTVHNOPFXZKJ-UHFFFAOYSA-N -1 0 341.845 3.695 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)s1 ZINC000020255886 1040908698 /nfs/dbraw/zinc/90/86/98/1040908698.db2.gz RNJBZEFLIXZPHR-UHFFFAOYSA-N -1 0 346.271 3.928 20 0 EHADRM COc1cc(C)ccc1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000909297190 1040913225 /nfs/dbraw/zinc/91/32/25/1040913225.db2.gz MNWDNQFJVWAHNG-UHFFFAOYSA-N -1 0 327.380 3.618 20 0 EHADRM Cc1ccc(CCC(=O)N[C@](C)(CC(=O)[O-])c2cccc(F)c2)s1 ZINC000909684490 1040932472 /nfs/dbraw/zinc/93/24/72/1040932472.db2.gz ZCJSMSWDUWUODP-GOSISDBHSA-N -1 0 349.427 3.635 20 0 EHADRM CC(C)C(=O)c1ccc([C@@H](C)C(=O)N[C@@](C)(CC(=O)[O-])C(C)C)cc1 ZINC000909687166 1040951647 /nfs/dbraw/zinc/95/16/47/1040951647.db2.gz IAWLXSRKKQVIST-VLIAUNLRSA-N -1 0 347.455 3.634 20 0 EHADRM CC(C)C(=O)c1ccc([C@H](C)C(=O)N[C@](C)(CC(=O)[O-])C(C)C)cc1 ZINC000909687165 1040951733 /nfs/dbraw/zinc/95/17/33/1040951733.db2.gz IAWLXSRKKQVIST-VBKZILBWSA-N -1 0 347.455 3.634 20 0 EHADRM CC(C)Oc1cccnc1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000163583410 1040956949 /nfs/dbraw/zinc/95/69/49/1040956949.db2.gz MWBDLBLITAAPQD-UHFFFAOYSA-N -1 0 329.381 3.551 20 0 EHADRM Cc1ccccc1N1CCN(Cc2ccc(Cl)cc2C(=O)[O-])CC1 ZINC001142643424 1040991477 /nfs/dbraw/zinc/99/14/77/1040991477.db2.gz UJJNCPLDINJXNM-UHFFFAOYSA-N -1 0 344.842 3.669 20 0 EHADRM Cc1ccccc1-c1ccccc1C(=O)NCCC(C)(C)C(=O)[O-] ZINC000909758715 1040996755 /nfs/dbraw/zinc/99/67/55/1040996755.db2.gz PRIOXAFWNGQLOU-UHFFFAOYSA-N -1 0 325.408 3.893 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2CCOC3(CCCC3)C2)c1 ZINC000909829565 1041015742 /nfs/dbraw/zinc/01/57/42/1041015742.db2.gz FCYMXZHGENIUCN-UKRRQHHQSA-N -1 0 331.412 3.553 20 0 EHADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC000500313584 1041026310 /nfs/dbraw/zinc/02/63/10/1041026310.db2.gz HPNOYBPKELUHFP-UHFFFAOYSA-N -1 0 345.342 3.823 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)C[C@H]2CCC3(CCC3)CO2)c1 ZINC000909833196 1041031185 /nfs/dbraw/zinc/03/11/85/1041031185.db2.gz YFYRYPCXHVUAIX-CZUORRHYSA-N -1 0 331.412 3.553 20 0 EHADRM O=C([O-])C12CCC(C(=O)NC[C@@H]3C[C@H]3C3CCCCC3)(CC1)CC2 ZINC000909933658 1041067581 /nfs/dbraw/zinc/06/75/81/1041067581.db2.gz ZAGJSQVOSJIOSV-MVYVIFSASA-N -1 0 333.472 3.744 20 0 EHADRM COc1c(C)ccc(NC(=O)C[C@@H](C(=O)[O-])c2ccc(C)cc2)c1C ZINC000899761331 1041088914 /nfs/dbraw/zinc/08/89/14/1041088914.db2.gz HJHBYNBGCONEFJ-MRXNPFEDSA-N -1 0 341.407 3.817 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)C[C@H](C(=O)[O-])c2ccc(C)cc2)c1 ZINC000899765298 1041093775 /nfs/dbraw/zinc/09/37/75/1041093775.db2.gz CVAWKWHMFKLXMN-KDOFPFPSSA-N -1 0 341.407 3.899 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)C[C@H](C(=O)[O-])c2ccc(C)cc2)s1 ZINC000899765434 1041095075 /nfs/dbraw/zinc/09/50/75/1041095075.db2.gz PTONYZWBBVEQMA-ZFWWWQNUSA-N -1 0 331.437 3.801 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(Oc2ccncc2)cc1 ZINC000899766799 1041095183 /nfs/dbraw/zinc/09/51/83/1041095183.db2.gz NTZXWCCHJPTQHS-AWEZNQCLSA-N -1 0 342.395 3.949 20 0 EHADRM CC[C@@H](NC(=O)N(CC(=O)[O-])C1CCCC1)c1cccc(Cl)c1 ZINC000555757647 1041112467 /nfs/dbraw/zinc/11/24/67/1041112467.db2.gz OFTNAAROTOUONW-OAHLLOKOSA-N -1 0 338.835 3.830 20 0 EHADRM C[C@@H]1CN(C(=O)C2(Cc3cccs3)CCCCC2)CC[C@@H]1C(=O)[O-] ZINC000909989367 1041124123 /nfs/dbraw/zinc/12/41/23/1041124123.db2.gz MYXBJCIGWBRXRI-ZBFHGGJFSA-N -1 0 349.496 3.810 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N(C)[C@H](C)c2ccccc2)C(=O)[O-])cc1 ZINC000899797222 1041131625 /nfs/dbraw/zinc/13/16/25/1041131625.db2.gz ZXJWGBVJNICGDK-CRAIPNDOSA-N -1 0 325.408 3.773 20 0 EHADRM CCN(Cc1cccs1)C(=O)C[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC000899800948 1041139226 /nfs/dbraw/zinc/13/92/26/1041139226.db2.gz IPFWDAPORBOZRF-INIZCTEOSA-N -1 0 331.437 3.664 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)[C@H]3C[C@]3(C(=O)[O-])C(C)C)cc2)oc1C ZINC000899802894 1041141384 /nfs/dbraw/zinc/14/13/84/1041141384.db2.gz KFDOBRDKQCDDMC-BEFAXECRSA-N -1 0 342.395 3.644 20 0 EHADRM CC(C(=O)N1CCC([C@H](CC(=O)[O-])c2ccccc2)CC1)=C1CCC1 ZINC000910031183 1041144659 /nfs/dbraw/zinc/14/46/59/1041144659.db2.gz CNWZIZCMSPJSPM-LJQANCHMSA-N -1 0 341.451 3.984 20 0 EHADRM CCC(=O)c1ccc(NC(=O)C[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000899795056 1041145681 /nfs/dbraw/zinc/14/56/81/1041145681.db2.gz RZQKCJLJUUVSKK-QGZVFWFLSA-N -1 0 339.391 3.785 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N2CCC[C@H]2c2ccccc2)C(=O)[O-])cc1 ZINC000899796335 1041148298 /nfs/dbraw/zinc/14/82/98/1041148298.db2.gz KDCZJLUNSCWIQG-MOPGFXCFSA-N -1 0 337.419 3.917 20 0 EHADRM O=C(N=c1[n-]nc([C@H]2CCCO2)s1)Nc1csc2ccccc12 ZINC000640751559 1041148922 /nfs/dbraw/zinc/14/89/22/1041148922.db2.gz VCYGRNHFXFSSMK-LLVKDONJSA-N -1 0 346.437 3.670 20 0 EHADRM CC/C(C)=C/C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000910038316 1041158691 /nfs/dbraw/zinc/15/86/91/1041158691.db2.gz CLJDHHFTKWTWKC-RMKNXTFCSA-N -1 0 331.290 3.621 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1ccccc1CC(F)(F)F ZINC000899812972 1041158799 /nfs/dbraw/zinc/15/87/99/1041158799.db2.gz QYBUTIDSUAERAJ-GFCCVEGCSA-N -1 0 331.334 3.867 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)N(C)[C@@H](C)c1nc2ccccc2s1 ZINC000899817977 1041173553 /nfs/dbraw/zinc/17/35/53/1041173553.db2.gz MXIZHEZNYBFFKQ-QWHCGFSZSA-N -1 0 348.468 3.953 20 0 EHADRM Cc1scc(CNC(=O)C[C@H](C(=O)[O-])c2ccc(C)cc2)c1C ZINC000899830327 1041190292 /nfs/dbraw/zinc/19/02/92/1041190292.db2.gz HXFAHNSFESBCPU-INIZCTEOSA-N -1 0 331.437 3.548 20 0 EHADRM Cc1ccc(CCC(=O)N2[C@@H](C(=O)[O-])CC[C@H]2c2ccccc2)s1 ZINC000910097810 1041190649 /nfs/dbraw/zinc/19/06/49/1041190649.db2.gz AXHNJQQMPJDPFP-DLBZAZTESA-N -1 0 343.448 3.806 20 0 EHADRM CCCc1[nH]ccc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC000909325876 1041212396 /nfs/dbraw/zinc/21/23/96/1041212396.db2.gz MKDROQATHSKJOG-INIZCTEOSA-N -1 0 346.452 3.635 20 0 EHADRM C/C=C\C[C@@H](NC(=O)Nc1cccc(-c2nc(C)cs2)c1)C(=O)[O-] ZINC000555851603 1041242804 /nfs/dbraw/zinc/24/28/04/1041242804.db2.gz IFQLTKFIVIFXNM-VQTKUKTRSA-N -1 0 345.424 3.659 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)NC2(c3ccccc3Cl)CCC2)c1 ZINC000652081424 1041340823 /nfs/dbraw/zinc/34/08/23/1041340823.db2.gz TWODVGKUGOVAIU-UHFFFAOYSA-N -1 0 343.810 3.776 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000432121385 1041615965 /nfs/dbraw/zinc/61/59/65/1041615965.db2.gz VXBZZWWTARUFEL-QIIPPGSGSA-N -1 0 335.469 3.565 20 0 EHADRM FC(F)(F)[C@H](CCN=c1[n-]nc(C2CC2)s1)c1ccccc1 ZINC000432155782 1041663500 /nfs/dbraw/zinc/66/35/00/1041663500.db2.gz MFFKVZFVCGDBCN-GFCCVEGCSA-N -1 0 327.375 3.986 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cc(F)cc(F)c1)c1ccc(Cl)cc1 ZINC000013174701 1041668330 /nfs/dbraw/zinc/66/83/30/1041668330.db2.gz VWVIFBXHISLEHG-CQSZACIVSA-N -1 0 339.725 3.564 20 0 EHADRM O=C(N=c1nc(-c2ccccc2)[n-]s1)c1cccc(C(F)F)c1 ZINC000511844532 1041688635 /nfs/dbraw/zinc/68/86/35/1041688635.db2.gz RRPKLYPQIURVOL-UHFFFAOYSA-N -1 0 331.347 3.817 20 0 EHADRM O=P([O-])([O-])c1ccc(NC2c3ccccc3-c3ccccc32)cc1 ZINC001167776505 1042000145 /nfs/dbraw/zinc/00/01/45/1042000145.db2.gz CHNOKOAFPYKBSX-UHFFFAOYSA-N -1 0 337.315 3.672 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3[C@@H](C)CC[C@@H]3C)n2)cc1 ZINC000119312855 1042197634 /nfs/dbraw/zinc/19/76/34/1042197634.db2.gz HCWUULWISLIBSZ-KBPBESRZSA-N -1 0 327.428 3.714 20 0 EHADRM CCc1cc([N-]S(=O)(=O)c2c(C)nn(C(C)C)c2C)ccc1C ZINC000540867971 1042276519 /nfs/dbraw/zinc/27/65/19/1042276519.db2.gz KQIXNBJTIYYXLA-UHFFFAOYSA-N -1 0 335.473 3.752 20 0 EHADRM C[C@H](NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC000663077426 1042425328 /nfs/dbraw/zinc/42/53/28/1042425328.db2.gz NIUPLCBDSQYEEA-CABZTGNLSA-N -1 0 331.334 3.630 20 0 EHADRM Cc1sc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)nc1-c1ccccc1 ZINC000663078489 1042427561 /nfs/dbraw/zinc/42/75/61/1042427561.db2.gz AJNIHYGNNIZUSN-LBPRGKRZSA-N -1 0 332.425 3.804 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(Oc2ccccn2)cc1 ZINC000663100169 1042451326 /nfs/dbraw/zinc/45/13/26/1042451326.db2.gz LLZMQNYTGSUNQS-OAHLLOKOSA-N -1 0 328.368 3.559 20 0 EHADRM Cc1c2ccccc2nc(C[N@H+]2CCS[C@H](C)[C@@H]2C)c1C(=O)[O-] ZINC000652418713 1042467220 /nfs/dbraw/zinc/46/72/20/1042467220.db2.gz IKSINJLAJFLGSP-QWHCGFSZSA-N -1 0 330.453 3.567 20 0 EHADRM COCCN(Cc1ccc(C)o1)Cc1c(Cl)cccc1C(=O)[O-] ZINC000652429743 1042470700 /nfs/dbraw/zinc/47/07/00/1042470700.db2.gz QLXZDBNOKZDMHJ-UHFFFAOYSA-N -1 0 337.803 3.588 20 0 EHADRM CCC(CC)(CNC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC000663159887 1042502353 /nfs/dbraw/zinc/50/23/53/1042502353.db2.gz ZTRGKNHRKGEHOI-KGLIPLIRSA-N -1 0 335.419 3.501 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CC[C@H](Cc2ccccc2)C1 ZINC000184439781 1042544698 /nfs/dbraw/zinc/54/46/98/1042544698.db2.gz TWELJYDQMXHRBD-CYBMUJFWSA-N -1 0 333.790 3.890 20 0 EHADRM O=C([O-])[C@H]1CCN(CCc2nsc3ccccc32)c2ccccc21 ZINC000662210635 1042596453 /nfs/dbraw/zinc/59/64/53/1042596453.db2.gz ITMMYCNDGUJXKQ-AWEZNQCLSA-N -1 0 338.432 3.917 20 0 EHADRM Cc1cccc(OC(F)F)c1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000186745566 1042701360 /nfs/dbraw/zinc/70/13/60/1042701360.db2.gz RBQOIGQNNZELMU-UHFFFAOYSA-N -1 0 329.249 3.833 20 0 EHADRM Cc1c(Cl)cc(F)c(NC(=O)NC[C@@H](C(=O)[O-])C2CCC2)c1F ZINC000663351456 1042741444 /nfs/dbraw/zinc/74/14/44/1042741444.db2.gz LQIYIKRIJYNJOU-SECBINFHSA-N -1 0 346.761 3.549 20 0 EHADRM CSc1cccc(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)c1C ZINC000663350579 1042743163 /nfs/dbraw/zinc/74/31/63/1042743163.db2.gz CQAUPJKIUCZLDX-ZDUSSCGKSA-N -1 0 338.473 3.975 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)[N-]c2cnccc2-c2ccccc2)c1 ZINC000432350833 1042988354 /nfs/dbraw/zinc/98/83/54/1042988354.db2.gz FUVCSCTWDWEHDR-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM CC(C)CCN(CCC(C)C)S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000315634328 1043001618 /nfs/dbraw/zinc/00/16/18/1043001618.db2.gz VCJAGKNUMRBZIX-UHFFFAOYSA-N -1 0 347.502 3.529 20 0 EHADRM O=C([O-])[C@@H]1CCCCCN1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000321981740 1043006289 /nfs/dbraw/zinc/00/62/89/1043006289.db2.gz JPFCBFNDRIJFMJ-LBPRGKRZSA-N -1 0 330.306 3.567 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000324336332 1043280917 /nfs/dbraw/zinc/28/09/17/1043280917.db2.gz CFBCFRXOIYNELQ-INIZCTEOSA-N -1 0 344.798 3.864 20 0 EHADRM Cc1oc(-c2cccs2)nc1C[N@H+]1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000324257356 1043284455 /nfs/dbraw/zinc/28/44/55/1043284455.db2.gz JAHNFCMDKBUGHI-QGZVFWFLSA-N -1 0 334.441 3.644 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cc1Nc1ccccc1)c1cn[nH]c1 ZINC000432453446 1043299765 /nfs/dbraw/zinc/29/97/65/1043299765.db2.gz JDADJSHLOUQFOW-UHFFFAOYSA-N -1 0 348.815 3.608 20 0 EHADRM COc1cc(NS(=O)(=O)c2ccc(C)c(C)c2)ccc1Cl ZINC000432474450 1043404640 /nfs/dbraw/zinc/40/46/40/1043404640.db2.gz DAXYKFWWSPRZHQ-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM Cc1ccc2c(O)c(C(=O)N3CCC[C@H](C(C)(C)C)C3)cnc2n1 ZINC000408344800 1043453853 /nfs/dbraw/zinc/45/38/53/1043453853.db2.gz AHTMKVBPZMSURW-ZDUSSCGKSA-N -1 0 327.428 3.542 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)c1cccc(OCc2cccc(C)c2)c1 ZINC000236834184 1043614348 /nfs/dbraw/zinc/61/43/48/1043614348.db2.gz OYNFLQZNCJTZSI-UHFFFAOYSA-N -1 0 341.407 3.511 20 0 EHADRM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)[C@@H]1CCC[C@H](O)C1 ZINC000473222040 1043757613 /nfs/dbraw/zinc/75/76/13/1043757613.db2.gz WANAKEFACJBALD-RQJHMYQMSA-N -1 0 338.618 3.842 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2nccc(-c3ccco3)n2)c1 ZINC000163258771 1043922589 /nfs/dbraw/zinc/92/25/89/1043922589.db2.gz YIYKOTMPULVOGL-UHFFFAOYSA-N -1 0 343.408 3.661 20 0 EHADRM CCOc1ccc(NC(=O)c2cc(F)c([O-])c(Cl)c2)cc1F ZINC000187306592 1043937618 /nfs/dbraw/zinc/93/76/18/1043937618.db2.gz RBGCVTWBVNFSKZ-UHFFFAOYSA-N -1 0 327.714 3.975 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000007745843 1044269405 /nfs/dbraw/zinc/26/94/05/1044269405.db2.gz GQFNNYYMBBGINO-UHFFFAOYSA-N -1 0 333.356 3.627 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCc1ccccc1Cl ZINC000320207846 1044310924 /nfs/dbraw/zinc/31/09/24/1044310924.db2.gz SNMOLWAGJHSACB-KBMXLJTQSA-N -1 0 335.831 3.517 20 0 EHADRM O=C(NC1(CCOCc2ccccc2)CC1)c1cc(F)c([O-])c(F)c1 ZINC000436709401 1044489726 /nfs/dbraw/zinc/48/97/26/1044489726.db2.gz MYQHHTPXTRWZND-UHFFFAOYSA-N -1 0 347.361 3.540 20 0 EHADRM C[C@H](NC(=O)CC1(C(=O)[O-])CCC1)c1cccc(C(F)(F)F)c1 ZINC000261622335 1044721361 /nfs/dbraw/zinc/72/13/61/1044721361.db2.gz CFSPFPGLRKFMAB-JTQLQIEISA-N -1 0 329.318 3.528 20 0 EHADRM O=S(=O)([N-]c1nc2ccsc2s1)c1cccc2cnccc21 ZINC000344967814 1044750249 /nfs/dbraw/zinc/75/02/49/1044750249.db2.gz DLDQVQUITVMYAL-UHFFFAOYSA-N -1 0 347.446 3.707 20 0 EHADRM Cc1cnc(C(=O)N2CC3(CCCC3)c3cccc(F)c32)c([O-])c1 ZINC000408392588 1044757923 /nfs/dbraw/zinc/75/79/23/1044757923.db2.gz GAABEFMCVPKCSF-UHFFFAOYSA-N -1 0 326.371 3.707 20 0 EHADRM Cc1cccc2c1CCC[C@@H]2NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000620679559 1125631064 /nfs/dbraw/zinc/63/10/64/1125631064.db2.gz YDSBTOYZNAWYFC-AWEZNQCLSA-N -1 0 335.325 3.925 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)CCCCCC1 ZINC000620753037 1125695045 /nfs/dbraw/zinc/69/50/45/1125695045.db2.gz VWMHOSNEJBPJQB-CVEARBPZSA-N -1 0 333.403 3.613 20 0 EHADRM Cc1ccc(C(C)(C)NC(=O)c2cccc(C(F)(F)F)c2[O-])cn1 ZINC000622510383 1126712592 /nfs/dbraw/zinc/71/25/92/1126712592.db2.gz BMKULLKNTPAZQT-UHFFFAOYSA-N -1 0 338.329 3.780 20 0 EHADRM CC[C@@H](CC(F)(F)F)NC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000622511690 1126712930 /nfs/dbraw/zinc/71/29/30/1126712930.db2.gz LGMUDOJVRAWUDG-ZETCQYMHSA-N -1 0 329.240 3.872 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)c2cc3cc(F)ccc3s2)cc1 ZINC000336875218 1126813644 /nfs/dbraw/zinc/81/36/44/1126813644.db2.gz CGMOGBGKISPGTM-UHFFFAOYSA-N -1 0 343.379 3.711 20 0 EHADRM O=S(=O)(Nc1ccc(Cc2ccncc2)cc1)c1cccc(F)c1 ZINC000192705671 1126929538 /nfs/dbraw/zinc/92/95/38/1126929538.db2.gz BAPKFYDZWRQCPI-UHFFFAOYSA-N -1 0 342.395 3.612 20 0 EHADRM Cc1coc2ccc(NC(=O)CSc3n[n-]c(=S)s3)cc12 ZINC000185771346 1127008769 /nfs/dbraw/zinc/00/87/69/1127008769.db2.gz BWNYHSCSSNCDEK-UHFFFAOYSA-N -1 0 337.451 3.612 20 0 EHADRM Cc1ccc2c(CC(=O)[N-]S(=O)(=O)c3cccc(C)c3)coc2c1 ZINC000073121603 1127043789 /nfs/dbraw/zinc/04/37/89/1127043789.db2.gz UAAXBXZQSQVQKB-UHFFFAOYSA-N -1 0 343.404 3.938 20 0 EHADRM O=S(=O)(C=C([O-])c1ccc(Oc2ccccc2)cc1)C(F)(F)F ZINC000780561720 1127222577 /nfs/dbraw/zinc/22/25/77/1127222577.db2.gz QOPOMPOZMSGBKO-UHFFFAOYSA-N -1 0 344.310 3.596 20 0 EHADRM CCC(=O)c1cccc(S(=O)(=O)[N-]c2nccc3sccc32)c1 ZINC000182019700 1127308836 /nfs/dbraw/zinc/30/88/36/1127308836.db2.gz GNJSCOJBMSDHKG-UHFFFAOYSA-N -1 0 346.433 3.690 20 0 EHADRM Cc1cc(F)c(S(=O)(=O)[N-]c2nccc3sccc32)cc1F ZINC000182021213 1127308967 /nfs/dbraw/zinc/30/89/67/1127308967.db2.gz KRJCMLISALOJOW-UHFFFAOYSA-N -1 0 340.376 3.684 20 0 EHADRM CCc1ccc(NC(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)cc1CC ZINC000182287347 1127321343 /nfs/dbraw/zinc/32/13/43/1127321343.db2.gz CNGMIPWQPMEIKB-UHFFFAOYSA-N -1 0 349.434 3.851 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2Oc2ccncc2)c(C)o1 ZINC000183119739 1127363432 /nfs/dbraw/zinc/36/34/32/1127363432.db2.gz PQFDBUNSKIBDSU-UHFFFAOYSA-N -1 0 344.392 3.885 20 0 EHADRM CCC[C@@H]([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)c1ccc(F)cc1F ZINC000184676336 1127411272 /nfs/dbraw/zinc/41/12/72/1127411272.db2.gz SHYBDVNBAXCUKL-QPUJVOFHSA-N -1 0 345.333 3.676 20 0 EHADRM CCC[C@H]([N-]S(=O)(=O)[C@H](C)C(F)(F)F)c1ccc(F)cc1F ZINC000184676353 1127411388 /nfs/dbraw/zinc/41/13/88/1127411388.db2.gz SHYBDVNBAXCUKL-PELKAZGASA-N -1 0 345.333 3.676 20 0 EHADRM C[C@@H](NC(=O)c1ccc(F)cc1[O-])c1nc2cc(Cl)ccc2[nH]1 ZINC000764222524 1127464436 /nfs/dbraw/zinc/46/44/36/1127464436.db2.gz ZYRNJAFXQNWNTJ-MRVPVSSYSA-N -1 0 333.750 3.552 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C)CC(=O)[N-]OCc1ccccc1 ZINC000765493610 1127622360 /nfs/dbraw/zinc/62/23/60/1127622360.db2.gz WUHGHDKKMIZXCO-CQSZACIVSA-N -1 0 332.831 3.581 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2cccc(C(F)F)c2)C1 ZINC000386263703 1127654023 /nfs/dbraw/zinc/65/40/23/1127654023.db2.gz WLZKPBROYDVVHQ-INIZCTEOSA-N -1 0 326.343 3.733 20 0 EHADRM Cc1ccc(-c2ncc(CN=c3[n-]nc([C@@H]4C[C@@H]4C)o3)s2)cc1 ZINC000630960586 1127748081 /nfs/dbraw/zinc/74/80/81/1127748081.db2.gz JLQZAZPRJMUOQI-SMDDNHRTSA-N -1 0 326.425 3.659 20 0 EHADRM C[C@H](CNC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)CC(=O)[O-] ZINC000347495161 1127765182 /nfs/dbraw/zinc/76/51/82/1127765182.db2.gz KJUIZPGLUVULLN-NSHDSACASA-N -1 0 349.333 3.598 20 0 EHADRM O=C([O-])CN(Cc1ccccc1)C(=O)Nc1cccc2ccccc21 ZINC000038985399 1127871508 /nfs/dbraw/zinc/87/15/08/1127871508.db2.gz UEFQGGUZCBHXJY-UHFFFAOYSA-N -1 0 334.375 3.959 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3C[C@@H]4CCC[C@H]4C3)n2)c1 ZINC000155178085 1127924975 /nfs/dbraw/zinc/92/49/75/1127924975.db2.gz QIWSQYHCNDCSIO-HOTGVXAUSA-N -1 0 339.439 3.573 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1cc2c([nH]c1=O)CCCCC2 ZINC000265662827 1127932725 /nfs/dbraw/zinc/93/27/25/1127932725.db2.gz BRGDVFHQXNFDSG-UHFFFAOYSA-N -1 0 332.787 3.667 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@@H](CC1CC1)C(=O)[O-] ZINC000347510198 1128025095 /nfs/dbraw/zinc/02/50/95/1128025095.db2.gz CNIHTSVKFIUZBC-XPTSAGLGSA-N -1 0 344.238 3.542 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)c1 ZINC000057299954 1128044435 /nfs/dbraw/zinc/04/44/35/1128044435.db2.gz OFJVXKUCKIVABZ-ZDUSSCGKSA-N -1 0 336.391 3.958 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(C)cc2C)n(-c2ccccc2)n1 ZINC000057734539 1128055650 /nfs/dbraw/zinc/05/56/50/1128055650.db2.gz FIAIUBIAPLIPEJ-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM O=C([O-])[C@@]1(C(F)(F)F)CCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000111242003 1128343417 /nfs/dbraw/zinc/34/34/17/1128343417.db2.gz YZHQTJUGRZZTKY-GFCCVEGCSA-N -1 0 342.144 3.832 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cnc1Cl ZINC000085235555 1128429581 /nfs/dbraw/zinc/42/95/81/1128429581.db2.gz NIENJRMXMGLITE-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnc(Cl)c(C)c2)c(Cl)c1 ZINC000085235610 1128430184 /nfs/dbraw/zinc/43/01/84/1128430184.db2.gz OPSWGXPKOOTKLN-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM Fc1cnc(-c2nc(-c3ccc4[n-]c(=S)sc4c3)no2)c(F)c1 ZINC001212398577 1128431851 /nfs/dbraw/zinc/43/18/51/1128431851.db2.gz CSSNJBNBAOJGJW-UHFFFAOYSA-N -1 0 348.359 3.975 20 0 EHADRM FC(F)(F)[C@H]1CCC[C@@H](CN=c2[n-]nc(C3CCOCC3)s2)C1 ZINC000338675332 1128475613 /nfs/dbraw/zinc/47/56/13/1128475613.db2.gz DQXCXEMQPWZQBS-PWSUYJOCSA-N -1 0 349.422 3.635 20 0 EHADRM CC[C@H]1CCCC[C@H]1N(C)C(=O)N=c1ncn(C2CCCCC2)[n-]1 ZINC000542725337 1128562983 /nfs/dbraw/zinc/56/29/83/1128562983.db2.gz VAEVUQAPJMNSLM-GOEBONIOSA-N -1 0 333.480 3.638 20 0 EHADRM COc1ccsc1CN=c1[n-]nc(-c2cc3c(s2)CCCC3)o1 ZINC000542763771 1128590812 /nfs/dbraw/zinc/59/08/12/1128590812.db2.gz IUVKTYPGMWFSDG-UHFFFAOYSA-N -1 0 347.465 3.781 20 0 EHADRM Fc1ccc([C@@H]2CC[C@H](N=c3[n-]nc(C4CCOCC4)s3)C2)cc1 ZINC000338710443 1128733701 /nfs/dbraw/zinc/73/37/01/1128733701.db2.gz HRSSGVCWHWASQM-ZBFHGGJFSA-N -1 0 347.459 3.741 20 0 EHADRM c1ccc(C[C@H]2CC[C@H](N=c3[n-]nc(C4CCOCC4)s3)C2)cc1 ZINC000338717019 1128746231 /nfs/dbraw/zinc/74/62/31/1128746231.db2.gz ZJVQUSHBJTZJKL-WBVHZDCISA-N -1 0 343.496 3.677 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000074562107 1128814827 /nfs/dbraw/zinc/81/48/27/1128814827.db2.gz RSFGJKUREQDLLF-CYBMUJFWSA-N -1 0 329.400 3.987 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)CCC2)c1ccc(Cl)cc1F ZINC000007050604 1128845673 /nfs/dbraw/zinc/84/56/73/1128845673.db2.gz ZZFKCPRZDNDYPG-UHFFFAOYSA-N -1 0 325.792 3.769 20 0 EHADRM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000542938535 1128878923 /nfs/dbraw/zinc/87/89/23/1128878923.db2.gz QKZUPQLZZZYQGI-UHFFFAOYSA-N -1 0 344.358 3.854 20 0 EHADRM CCCCC[C@H]1CCCCN1S(=O)(=O)c1cc([O-])cc(F)c1 ZINC001670530648 1120082486 /nfs/dbraw/zinc/08/24/86/1120082486.db2.gz PMQQOAYKZSBSCN-AWEZNQCLSA-N -1 0 329.437 3.655 20 0 EHADRM Cc1nc(C)c([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)s1 ZINC000331338681 1120272459 /nfs/dbraw/zinc/27/24/59/1120272459.db2.gz LUBPWQNNKPSGIQ-UHFFFAOYSA-N -1 0 340.470 3.656 20 0 EHADRM Cc1cc(C)c(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)o1 ZINC000237804877 1120329328 /nfs/dbraw/zinc/32/93/28/1120329328.db2.gz KVBFEIIWALBMEE-CYBMUJFWSA-N -1 0 339.750 3.635 20 0 EHADRM CC[C@@H](NCc1cnc(-c2cccs2)s1)c1nc(C(=O)[O-])c[nH]1 ZINC000904064811 1120351446 /nfs/dbraw/zinc/35/14/46/1120351446.db2.gz NCHRRIMQDBLEBI-SNVBAGLBSA-N -1 0 348.453 3.534 20 0 EHADRM O=S(=O)(Nc1cccc(Cl)c1F)c1c[nH]c2cccc(F)c21 ZINC000185172494 1120402596 /nfs/dbraw/zinc/40/25/96/1120402596.db2.gz ZAKBJZRKLHXEGB-UHFFFAOYSA-N -1 0 342.754 3.900 20 0 EHADRM COc1ccc(CC(=O)Nc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000220324323 1120475312 /nfs/dbraw/zinc/47/53/12/1120475312.db2.gz SEHXLHGVWYRJCA-UHFFFAOYSA-N -1 0 326.179 3.889 20 0 EHADRM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(C)(C)C)c2O)c1 ZINC000187083001 1120485838 /nfs/dbraw/zinc/48/58/38/1120485838.db2.gz VGLBMIUELGTQJS-UHFFFAOYSA-N -1 0 347.436 3.693 20 0 EHADRM CCC[C@@H](C)[C@H]1CCCN1C(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000494226787 1120507366 /nfs/dbraw/zinc/50/73/66/1120507366.db2.gz KCCVPQZMVRIBLM-VXGBXAGGSA-N -1 0 334.445 3.653 20 0 EHADRM COc1ccc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)cc1Cl ZINC000013249354 1128917028 /nfs/dbraw/zinc/91/70/28/1128917028.db2.gz KSXIWNFKXDZZDO-CYBMUJFWSA-N -1 0 333.771 3.546 20 0 EHADRM Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000152992890 1120525300 /nfs/dbraw/zinc/52/53/00/1120525300.db2.gz CTVWELZAUBNXNP-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000153005818 1120528305 /nfs/dbraw/zinc/52/83/05/1120528305.db2.gz XJBQNNCJMVNAJP-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM COc1cc(/C=C/C(=O)Nc2ccc(CCC(=O)[O-])cc2)ccc1F ZINC000191022605 1120659031 /nfs/dbraw/zinc/65/90/31/1120659031.db2.gz YSLDTGUBTPYSDC-BJMVGYQFSA-N -1 0 343.354 3.503 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)Cc1csc2ccc(Cl)cc12 ZINC000761656337 1120731539 /nfs/dbraw/zinc/73/15/39/1120731539.db2.gz ZUQXVPBLNHZJAN-MRXNPFEDSA-N -1 0 339.844 3.857 20 0 EHADRM Cc1c(Cl)cccc1C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000495109062 1120958229 /nfs/dbraw/zinc/95/82/29/1120958229.db2.gz DGLIAXDOOFSCDB-UHFFFAOYSA-N -1 0 329.812 3.841 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2c(F)cccc2Cl)cccc1N(C)C ZINC000153560423 1121339181 /nfs/dbraw/zinc/33/91/81/1121339181.db2.gz WCTCXFQRLISSON-UHFFFAOYSA-N -1 0 342.823 3.654 20 0 EHADRM O=C(Nc1ccccc1[C@@H](O)C(F)(F)F)c1cc(F)c([O-])c(F)c1 ZINC000762633780 1121390798 /nfs/dbraw/zinc/39/07/98/1121390798.db2.gz NATLEIXCNFNPOB-CYBMUJFWSA-N -1 0 347.239 3.518 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cc2c(s1)CCCCC2 ZINC000237065498 1121472668 /nfs/dbraw/zinc/47/26/68/1121472668.db2.gz TYMFKMYYDXRHFX-UHFFFAOYSA-N -1 0 343.448 3.987 20 0 EHADRM COc1ccc(CNC(=O)C[C@@H](C)C2CCCCC2)cc1C(=O)[O-] ZINC000237288456 1121479785 /nfs/dbraw/zinc/47/97/85/1121479785.db2.gz HVCIZSFYYKIQGC-CYBMUJFWSA-N -1 0 333.428 3.616 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2ccccc2CC(=O)[O-])o1 ZINC000237458820 1121484232 /nfs/dbraw/zinc/48/42/32/1121484232.db2.gz XVBYPBRTIFCGRU-DERGHVRDSA-N -1 0 325.364 3.682 20 0 EHADRM Cc1ccc(NC(=O)C2=Cc3cc(Cl)ccc3OC2)cc1C(=O)[O-] ZINC000237664761 1121490621 /nfs/dbraw/zinc/49/06/21/1121490621.db2.gz JGBGXYOATADBOL-UHFFFAOYSA-N -1 0 343.766 3.761 20 0 EHADRM Cc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1C(=O)[O-] ZINC000237682620 1121491852 /nfs/dbraw/zinc/49/18/52/1121491852.db2.gz CXIYTWOGWRPJPU-UHFFFAOYSA-N -1 0 335.359 3.864 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Cc1c(Cl)cccc1Cl ZINC000237928214 1121499470 /nfs/dbraw/zinc/49/94/70/1121499470.db2.gz LWSMJXZTPZSDPY-NSHDSACASA-N -1 0 344.238 3.782 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)C2=Cc3cc(Cl)ccc3OC2)c1 ZINC000238142872 1121503401 /nfs/dbraw/zinc/50/34/01/1121503401.db2.gz OCIXSZBWYGSVKQ-UHFFFAOYSA-N -1 0 347.729 3.592 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)C2(c3ccc(Cl)cc3)CC2)c1 ZINC000238142003 1121503430 /nfs/dbraw/zinc/50/34/30/1121503430.db2.gz ORJXNOUJNODRQS-UHFFFAOYSA-N -1 0 333.746 3.848 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)c2cc(Cl)ccc2Cl)c1 ZINC000315718001 1121514597 /nfs/dbraw/zinc/51/45/97/1121514597.db2.gz RJOCTIPCUVYALN-UHFFFAOYSA-N -1 0 338.190 3.664 20 0 EHADRM CN1CC[C@@H](C(=O)Nc2cc(Cl)c([O-])cc2F)c2ccccc21 ZINC000672486673 1128993089 /nfs/dbraw/zinc/99/30/89/1128993089.db2.gz RGQZFJRBTZCJQZ-LLVKDONJSA-N -1 0 334.778 3.747 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)[C@@H]1Cc2ccccc2S1 ZINC000762967852 1121618305 /nfs/dbraw/zinc/61/83/05/1121618305.db2.gz QZHBCGYBVFWGJQ-AWEZNQCLSA-N -1 0 328.418 3.772 20 0 EHADRM CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000470458087 1121722344 /nfs/dbraw/zinc/72/23/44/1121722344.db2.gz BNTNSGKDEJQJLI-UHFFFAOYSA-N -1 0 345.342 3.694 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2ccccc2F)c(C(F)(F)F)c1 ZINC000054293476 1121751314 /nfs/dbraw/zinc/75/13/14/1121751314.db2.gz DIXAZXXBGDUYNO-UHFFFAOYSA-N -1 0 349.305 3.654 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cccs2)c(C(F)(F)F)c1 ZINC000054293432 1121751574 /nfs/dbraw/zinc/75/15/74/1121751574.db2.gz MWGHNPCJOHNENR-UHFFFAOYSA-N -1 0 337.344 3.576 20 0 EHADRM CCC[C@H](C(=O)[N-]S(=O)(=O)c1c(C)cccc1Cl)C(C)C ZINC000153782856 1121988293 /nfs/dbraw/zinc/98/82/93/1121988293.db2.gz DVSIHEGLQQUNOQ-LBPRGKRZSA-N -1 0 331.865 3.526 20 0 EHADRM COC(=O)Nc1cccc(NC(=O)CC2(C(=O)[O-])CCCCC2)c1C ZINC000496451846 1122091576 /nfs/dbraw/zinc/09/15/76/1122091576.db2.gz DETKJZZNRNZQAS-UHFFFAOYSA-N -1 0 348.399 3.537 20 0 EHADRM O=S(=O)([N-]c1cc(F)ccc1O)c1c(Cl)cccc1Cl ZINC000125109703 1122305400 /nfs/dbraw/zinc/30/54/00/1122305400.db2.gz FQQURGGJWAQFIU-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM COc1cccc(-c2n[nH]cc2C=Cc2nc(C(=O)[O-])c(C)s2)c1 ZINC000672776474 1129069937 /nfs/dbraw/zinc/06/99/37/1129069937.db2.gz KRQLZGFIRWTWIN-VOTSOKGWSA-N -1 0 341.392 3.719 20 0 EHADRM Cc1cnc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)s1 ZINC000917869522 1122700792 /nfs/dbraw/zinc/70/07/92/1122700792.db2.gz XPAQXOPVLPEYOD-UHFFFAOYSA-N -1 0 338.454 3.574 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000630326306 1122868765 /nfs/dbraw/zinc/86/87/65/1122868765.db2.gz SXALHRKQHCWNGF-MBOZVWFJSA-N -1 0 331.456 3.651 20 0 EHADRM CCc1ccc(C(=O)[O-])cc1NCc1cncc(Br)c1 ZINC000556323555 1122929208 /nfs/dbraw/zinc/92/92/08/1122929208.db2.gz WUNVDFYXNOXOEX-UHFFFAOYSA-N -1 0 335.201 3.717 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)C(=O)[O-] ZINC000262805268 1122960246 /nfs/dbraw/zinc/96/02/46/1122960246.db2.gz FLLAYEGOIGRSRU-GUIRCDHDSA-N -1 0 335.469 3.806 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)C(=O)[O-] ZINC000262805269 1122960500 /nfs/dbraw/zinc/96/05/00/1122960500.db2.gz FLLAYEGOIGRSRU-PWNZVWSESA-N -1 0 335.469 3.806 20 0 EHADRM O=C(Nc1cccc2[nH]ccc21)c1ccc(Br)c([O-])c1 ZINC000130613448 1122974296 /nfs/dbraw/zinc/97/42/96/1122974296.db2.gz PNLZLXFHEAYBNW-UHFFFAOYSA-N -1 0 331.169 3.888 20 0 EHADRM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C)c(Cl)c1 ZINC000071415362 1122975400 /nfs/dbraw/zinc/97/54/00/1122975400.db2.gz OHSXYGXUTPVXOE-UHFFFAOYSA-N -1 0 345.829 3.517 20 0 EHADRM CC(C)(C)c1ccc(CS(=O)(=O)c2nc3ccccc3[n-]2)cc1 ZINC000071943286 1123027325 /nfs/dbraw/zinc/02/73/25/1123027325.db2.gz BWVWWAXZFRKKGS-UHFFFAOYSA-N -1 0 328.437 3.834 20 0 EHADRM O=S(=O)([N-][C@H](c1cccs1)C1CC1)c1c(F)cc(F)cc1F ZINC000919648407 1123104283 /nfs/dbraw/zinc/10/42/83/1123104283.db2.gz PTXMMRCMRACBCG-ZDUSSCGKSA-N -1 0 347.383 3.595 20 0 EHADRM O=S(=O)([N-]c1cccc(-c2ncco2)c1)c1cc2ccccc2o1 ZINC000132727832 1123292290 /nfs/dbraw/zinc/29/22/90/1123292290.db2.gz ZBGKDWSZSOEYFA-UHFFFAOYSA-N -1 0 340.360 3.889 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)c(Cl)cc1F ZINC000132929559 1123319729 /nfs/dbraw/zinc/31/97/29/1123319729.db2.gz USUZSIDUDYRBKK-UHFFFAOYSA-N -1 0 341.791 3.619 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)nc(C2CC2)n3C)s1 ZINC000074985876 1123353326 /nfs/dbraw/zinc/35/33/26/1123353326.db2.gz XSKBFKSDHHWLKD-UHFFFAOYSA-N -1 0 347.465 3.621 20 0 EHADRM O=C(NCc1ccc(O)c(F)c1)c1csc(Cc2ccccc2)n1 ZINC000133205539 1123359403 /nfs/dbraw/zinc/35/94/03/1123359403.db2.gz QFNDTSGCXRTVLI-UHFFFAOYSA-N -1 0 342.395 3.509 20 0 EHADRM CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2c([O-])cccc2Cl)cc1 ZINC000920461835 1123371795 /nfs/dbraw/zinc/37/17/95/1123371795.db2.gz VNEKKVKXHDSJHL-LLVKDONJSA-N -1 0 346.814 3.826 20 0 EHADRM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000649245758 1123372520 /nfs/dbraw/zinc/37/25/20/1123372520.db2.gz WRVHJUJRCDLRQV-DOTOQJQBSA-N -1 0 347.455 3.619 20 0 EHADRM O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1c([O-])cccc1Cl ZINC000920438376 1123373986 /nfs/dbraw/zinc/37/39/86/1123373986.db2.gz QQUVRENDBKLOFC-UHFFFAOYSA-N -1 0 330.771 3.646 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1ccc(OC2CCCCC2)cc1 ZINC000236579101 1123435949 /nfs/dbraw/zinc/43/59/49/1123435949.db2.gz YFIYXLGAZVYTRH-UHFFFAOYSA-N -1 0 333.428 3.771 20 0 EHADRM CCCCCCOc1ccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000920935033 1123444237 /nfs/dbraw/zinc/44/42/37/1123444237.db2.gz HTUBGWFVURQBFO-QGZVFWFLSA-N -1 0 333.428 3.725 20 0 EHADRM CCC1CCC(CNC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)CC1 ZINC000921075656 1123461928 /nfs/dbraw/zinc/46/19/28/1123461928.db2.gz GAIHXJWWYJSZQL-UHFFFAOYSA-N -1 0 345.468 3.570 20 0 EHADRM Cc1ccccc1OCCCN(C)C(=O)c1c([O-])cc(F)cc1F ZINC000066048463 1129126411 /nfs/dbraw/zinc/12/64/11/1129126411.db2.gz BIOWGRNIRNBGCK-UHFFFAOYSA-N -1 0 335.350 3.520 20 0 EHADRM CCCC(=O)Nc1cccc(NC(=O)c2c([O-])cc(F)cc2F)c1C ZINC000066053620 1129127594 /nfs/dbraw/zinc/12/75/94/1129127594.db2.gz PFKIKTXZALRKKE-UHFFFAOYSA-N -1 0 348.349 3.970 20 0 EHADRM C[C@H](OCC1CC1)C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000174920093 1123550801 /nfs/dbraw/zinc/55/08/01/1123550801.db2.gz CHPJECPNXLQTKE-ZETCQYMHSA-N -1 0 348.624 3.562 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H](c2ccccc2F)C2CCCC2)o1 ZINC000238035510 1123556795 /nfs/dbraw/zinc/55/67/95/1123556795.db2.gz LTQMYUYPRFGJKX-MRXNPFEDSA-N -1 0 331.343 3.778 20 0 EHADRM CC[C@H](NC(=O)CSc1n[n-]c(=S)s1)c1ccc(C)cc1 ZINC000175094294 1123592729 /nfs/dbraw/zinc/59/27/29/1123592729.db2.gz BOYKLPQFONYPOJ-NSHDSACASA-N -1 0 339.511 3.869 20 0 EHADRM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccc(F)c(C)c3)c2C)o1 ZINC000135403006 1123608700 /nfs/dbraw/zinc/60/87/00/1123608700.db2.gz VUEQFNLZQCMCHU-UHFFFAOYSA-N -1 0 349.387 3.535 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc3ncccc23)c(F)cc1F ZINC000135737336 1123642389 /nfs/dbraw/zinc/64/23/89/1123642389.db2.gz MQQFGFXEMSHATA-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM CN(Cc1nccs1)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000080034576 1123735686 /nfs/dbraw/zinc/73/56/86/1123735686.db2.gz KZQIXTUDCXQDFX-UHFFFAOYSA-N -1 0 332.812 3.928 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCSC2(CCCCC2)C1 ZINC000080039063 1123735871 /nfs/dbraw/zinc/73/58/71/1123735871.db2.gz GCGLNDBVKUYMHF-UHFFFAOYSA-N -1 0 325.861 3.938 20 0 EHADRM Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)CCCCC(=O)[O-] ZINC000263294679 1123747079 /nfs/dbraw/zinc/74/70/79/1123747079.db2.gz MCLFENKULRQYHV-GFCCVEGCSA-N -1 0 346.452 3.941 20 0 EHADRM CC(C)OCCS(=O)(=O)[N-]c1ccccc1Oc1ccccc1 ZINC000080782646 1123763442 /nfs/dbraw/zinc/76/34/42/1123763442.db2.gz SRWGLPJXTKZLIV-UHFFFAOYSA-N -1 0 335.425 3.646 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2cnn(CCC(C)C)c2C)c1 ZINC000137772642 1123776405 /nfs/dbraw/zinc/77/64/05/1123776405.db2.gz KJJAQWSEMUMCJK-UHFFFAOYSA-N -1 0 335.473 3.601 20 0 EHADRM Cc1cc(C(=O)NCCCCCC(=O)[O-])c(C)n1C1CCCCC1 ZINC000237585060 1123780967 /nfs/dbraw/zinc/78/09/67/1123780967.db2.gz YYBIWJQYFJYNIF-UHFFFAOYSA-N -1 0 334.460 3.985 20 0 EHADRM O=C([O-])CCCCNC(=O)c1ccc(OCC2CCCCC2)cc1 ZINC000237922572 1123912839 /nfs/dbraw/zinc/91/28/39/1123912839.db2.gz FSESGZYDLVFZGR-UHFFFAOYSA-N -1 0 333.428 3.630 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cc2c(s1)CCCCC2 ZINC000237938660 1123917650 /nfs/dbraw/zinc/91/76/50/1123917650.db2.gz DJFNEPCJGSHRLQ-AWEZNQCLSA-N -1 0 335.469 3.877 20 0 EHADRM CC(C)c1nnc(NC(=O)c2c([O-])cc(Cl)cc2Cl)s1 ZINC000081936337 1123931068 /nfs/dbraw/zinc/93/10/68/1123931068.db2.gz OUJKCPXVNALBMI-UHFFFAOYSA-N -1 0 332.212 3.926 20 0 EHADRM CC(C)[C@H](NC(=O)CC(C)(C)C(=O)[O-])c1ccc(Cl)cc1F ZINC000180432506 1124001793 /nfs/dbraw/zinc/00/17/93/1124001793.db2.gz KQJUGKRNVLYBKO-AWEZNQCLSA-N -1 0 329.799 3.793 20 0 EHADRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000263548162 1124078746 /nfs/dbraw/zinc/07/87/46/1124078746.db2.gz VBOZFRIEHKKWST-CJNGLKHVSA-N -1 0 348.830 3.514 20 0 EHADRM CCCn1cc(NC(=O)c2cc(Cl)cc(Cl)c2[O-])ccc1=O ZINC001626068258 1129173717 /nfs/dbraw/zinc/17/37/17/1129173717.db2.gz KSSAOHGHRREWNS-UHFFFAOYSA-N -1 0 341.194 3.523 20 0 EHADRM CC(C)(C)c1nsc([N-]S(=O)(=O)c2ccc3ccccc3c2)n1 ZINC000141982499 1124696476 /nfs/dbraw/zinc/69/64/76/1124696476.db2.gz NYPILANXVNSLIP-UHFFFAOYSA-N -1 0 347.465 3.790 20 0 EHADRM Cc1c2cccc(Cl)c2oc1C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000521625831 1124699459 /nfs/dbraw/zinc/69/94/59/1124699459.db2.gz OYRUVIDZKCIMKF-CABZTGNLSA-N -1 0 335.787 3.577 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)n1 ZINC000734975362 1131301477 /nfs/dbraw/zinc/30/14/77/1131301477.db2.gz AIRGDRDYWLQHPV-UHFFFAOYSA-N -1 0 332.425 3.512 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2sc(C(C)C)nc2C)s1 ZINC000069571951 1124904630 /nfs/dbraw/zinc/90/46/30/1124904630.db2.gz IHCVKOANIAKPCD-UHFFFAOYSA-N -1 0 344.483 3.638 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CC[C@@H](C2CCCCC2)C1 ZINC000618185379 1125015657 /nfs/dbraw/zinc/01/56/57/1125015657.db2.gz QEFAMMGZLBCNDA-LLVKDONJSA-N -1 0 327.346 3.852 20 0 EHADRM O=C(Nc1ccc(F)cc1)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000618492117 1125096608 /nfs/dbraw/zinc/09/66/08/1125096608.db2.gz FONASJDMVPYHGO-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC000450533065 1125144660 /nfs/dbraw/zinc/14/46/60/1125144660.db2.gz SPGABEZKSZXTRB-UKRRQHHQSA-N -1 0 341.382 3.932 20 0 EHADRM CCCC[C@@H](CC)CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000735395859 1131339306 /nfs/dbraw/zinc/33/93/06/1131339306.db2.gz GMVIPPLVTSDWEN-CQSZACIVSA-N -1 0 337.485 3.587 20 0 EHADRM Cc1cc(Br)cnc1-n1[n-]c2c(c1=O)CCCCCC2 ZINC000634616364 1125250336 /nfs/dbraw/zinc/25/03/36/1125250336.db2.gz KFSGKNFMVUKFKX-LBPRGKRZSA-N -1 0 336.233 3.826 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2occc2-c2ccccc2)C1 ZINC000261888500 1125388712 /nfs/dbraw/zinc/38/87/12/1125388712.db2.gz NJFKSJMOPANQKT-AWEZNQCLSA-N -1 0 327.380 3.664 20 0 EHADRM CC(C)[C@@H](O)[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000619911228 1125430889 /nfs/dbraw/zinc/43/08/89/1125430889.db2.gz MKBBIDVQDUWKCN-DLBZAZTESA-N -1 0 333.815 3.534 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)c(F)c1 ZINC000478827139 1129275016 /nfs/dbraw/zinc/27/50/16/1129275016.db2.gz NUSBLFGPVOQVHG-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM CC(C)[C@H](c1ccccc1)N(C)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000478853006 1129280558 /nfs/dbraw/zinc/28/05/58/1129280558.db2.gz GTCAJVNSQLNWLX-QGZVFWFLSA-N -1 0 329.371 3.993 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)CCSc1ccc(Cl)cc1 ZINC000316306396 1129384967 /nfs/dbraw/zinc/38/49/67/1129384967.db2.gz VZQCEEDDRDXIPV-KGLIPLIRSA-N -1 0 341.860 3.582 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N=c2ncn(C3CCCCC3)[n-]2)cc1 ZINC000543300704 1129395149 /nfs/dbraw/zinc/39/51/49/1129395149.db2.gz JMDDKZDOZKHGCS-UHFFFAOYSA-N -1 0 326.444 3.755 20 0 EHADRM O=S(=O)([N-]C[C@H]1CCCC(F)(F)C1)c1c(F)cccc1Cl ZINC000499765110 1129468287 /nfs/dbraw/zinc/46/82/87/1129468287.db2.gz SHCGPQYYXBBVLQ-VIFPVBQESA-N -1 0 341.782 3.583 20 0 EHADRM O=S(=O)([N-]C1(C(F)F)CCCC1)c1c(Cl)cccc1Cl ZINC000673586402 1129591513 /nfs/dbraw/zinc/59/15/13/1129591513.db2.gz ZVWXCTKRKHXVEM-UHFFFAOYSA-N -1 0 344.210 3.850 20 0 EHADRM O=C(c1cc(O)ccc1Cl)N1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000391053133 1129648036 /nfs/dbraw/zinc/64/80/36/1129648036.db2.gz NOFSGHVGDZHXDV-XYPHTWIQSA-N -1 0 337.847 3.591 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)cc1 ZINC000347741411 1129672780 /nfs/dbraw/zinc/67/27/80/1129672780.db2.gz RPFCRKVYCIKHGE-UHFFFAOYSA-N -1 0 328.755 3.701 20 0 EHADRM Oc1cccc(CN[C@@H]2CCCc3cccnc32)c1Br ZINC000922876650 1129700100 /nfs/dbraw/zinc/70/01/00/1129700100.db2.gz YKQGRQSDGMHVCD-CYBMUJFWSA-N -1 0 333.229 3.717 20 0 EHADRM O=S(=O)([N-]c1ccc(Br)cc1)c1c(F)cccc1F ZINC000021271800 1129712143 /nfs/dbraw/zinc/71/21/43/1129712143.db2.gz LEIIEHBOEYPRIW-UHFFFAOYSA-N -1 0 348.168 3.528 20 0 EHADRM CO[C@@H](CSc1n[n-]c(=NC2CC2)s1)c1ccc(Cl)cc1 ZINC000509090618 1129736045 /nfs/dbraw/zinc/73/60/45/1129736045.db2.gz UROPLNXOFYVXRC-LBPRGKRZSA-N -1 0 341.889 3.668 20 0 EHADRM O=C([O-])c1ccc(Nc2ccnn2Cc2cccc(F)c2)c(F)c1F ZINC001212511026 1129872556 /nfs/dbraw/zinc/87/25/56/1129872556.db2.gz OTKYJEWPXMFOJN-UHFFFAOYSA-N -1 0 347.296 3.791 20 0 EHADRM CCc1cc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)no1 ZINC000673897609 1129898529 /nfs/dbraw/zinc/89/85/29/1129898529.db2.gz JMSPBKAGIAGGDG-UHFFFAOYSA-N -1 0 328.393 3.705 20 0 EHADRM O=C([O-])c1ccc(Nc2cnccc2OC(F)(F)F)c(F)c1F ZINC001212512198 1129920219 /nfs/dbraw/zinc/92/02/19/1129920219.db2.gz AEYJBFWIPFFYAW-UHFFFAOYSA-N -1 0 334.200 3.700 20 0 EHADRM CC(C)(C)NC(=O)c1ccccc1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212513503 1129925312 /nfs/dbraw/zinc/92/53/12/1129925312.db2.gz UDGVVEQSVSYNTC-UHFFFAOYSA-N -1 0 348.349 3.935 20 0 EHADRM Cc1cc(=O)c2ccc(Nc3ccc(C(=O)[O-])c(F)c3F)cc2o1 ZINC001212515465 1129928882 /nfs/dbraw/zinc/92/88/82/1129928882.db2.gz XVMALRLXEKSUON-UHFFFAOYSA-N -1 0 331.274 3.821 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2c(C)ccc3ncccc32)cc1 ZINC000673982909 1129933273 /nfs/dbraw/zinc/93/32/73/1129933273.db2.gz QTRLGMBMVXEJNK-UHFFFAOYSA-N -1 0 340.404 3.547 20 0 EHADRM Cc1cccc2ncc(CN=c3[n-]nc(C[C@H](C)CC(C)(C)C)o3)n21 ZINC000347875560 1129960342 /nfs/dbraw/zinc/96/03/42/1129960342.db2.gz FPFQXABZCYYVIP-ZDUSSCGKSA-N -1 0 341.459 3.675 20 0 EHADRM CCc1ncc(CN=c2[n-]nc(C(C)(C)c3ccccc3)s2)s1 ZINC000347886919 1129979515 /nfs/dbraw/zinc/97/95/15/1129979515.db2.gz SLXPXVKPQUBYPW-UHFFFAOYSA-N -1 0 344.509 3.917 20 0 EHADRM O=C([O-])c1csc([C@@H]2CCCN2C(=O)CCCc2ccccc2)n1 ZINC000827932066 1131411798 /nfs/dbraw/zinc/41/17/98/1131411798.db2.gz IJQTVQXCDLSYPN-HNNXBMFYSA-N -1 0 344.436 3.528 20 0 EHADRM Cc1cccc(C2(C(=O)N=c3ccc(-c4ccccc4)n[n-]3)CC2)c1 ZINC000466633557 1129994495 /nfs/dbraw/zinc/99/44/95/1129994495.db2.gz GYSCUKIFKYKYQH-UHFFFAOYSA-N -1 0 329.403 3.544 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2nc(C(C)C)cs2)cc1 ZINC000171151484 1130020616 /nfs/dbraw/zinc/02/06/16/1130020616.db2.gz WXLVWVBRNQPWSX-UHFFFAOYSA-N -1 0 328.484 3.789 20 0 EHADRM CSc1ccncc1[N-]C(=O)c1cc(-c2cccc(F)c2)no1 ZINC000674255850 1130033978 /nfs/dbraw/zinc/03/39/78/1130033978.db2.gz FTKALXFZKBAUCW-UHFFFAOYSA-N -1 0 329.356 3.850 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCC(Oc2cccc(F)c2)CC1 ZINC000529620308 1130061123 /nfs/dbraw/zinc/06/11/23/1130061123.db2.gz JBZGYKJABPUXJS-UHFFFAOYSA-N -1 0 349.789 3.868 20 0 EHADRM COCCn1cc(C(=O)Nc2cccc(Cl)c2[O-])c2ccccc21 ZINC000172357481 1130127203 /nfs/dbraw/zinc/12/72/03/1130127203.db2.gz SCBRBKFSTLXPSN-UHFFFAOYSA-N -1 0 344.798 3.899 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000674650121 1130163380 /nfs/dbraw/zinc/16/33/80/1130163380.db2.gz DYPLOCGHROHLAI-UONOGXRCSA-N -1 0 341.329 3.787 20 0 EHADRM Cc1c(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)cccc1C(=O)[O-] ZINC000675965847 1130511015 /nfs/dbraw/zinc/51/10/15/1130511015.db2.gz CDYANQLRBOHXTR-ZIAGYGMSSA-N -1 0 331.318 3.714 20 0 EHADRM O=C([O-])CCN(CC1CC1)C(=O)CCSc1ccc(Cl)cc1 ZINC000675970574 1130512230 /nfs/dbraw/zinc/51/22/30/1130512230.db2.gz UQESCNPPZJJKRZ-UHFFFAOYSA-N -1 0 341.860 3.536 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCc2cc(F)ccc2F)ccc1Cl ZINC000676002725 1130516091 /nfs/dbraw/zinc/51/60/91/1130516091.db2.gz VRRXJSOKTSOECE-UHFFFAOYSA-N -1 0 339.725 3.888 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCC[C@@H]1c1ccc(O)cc1 ZINC000676126739 1130535684 /nfs/dbraw/zinc/53/56/84/1130535684.db2.gz ZPYQDTRYSQRBIS-OAHLLOKOSA-N -1 0 335.762 3.868 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2CCCC23CC3)ccc1Br ZINC000706260417 1130561049 /nfs/dbraw/zinc/56/10/49/1130561049.db2.gz SNKQHQUIRDNCEH-LLVKDONJSA-N -1 0 338.201 3.666 20 0 EHADRM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1c[nH]c(=S)[nH]1 ZINC000187207935 1130644020 /nfs/dbraw/zinc/64/40/20/1130644020.db2.gz LXONROVTEOTVLY-UHFFFAOYSA-N -1 0 338.603 3.617 20 0 EHADRM CCS(=O)(=O)[N-]C(=O)c1sc2cc(C(C)C)ccc2c1Cl ZINC000732709444 1130950283 /nfs/dbraw/zinc/95/02/83/1130950283.db2.gz AKOFEIRRSUNSSF-UHFFFAOYSA-N -1 0 345.873 3.758 20 0 EHADRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(SC(C)C)cc1 ZINC000732908168 1130969098 /nfs/dbraw/zinc/96/90/98/1130969098.db2.gz ZDPLEQZDHYPACQ-CYBMUJFWSA-N -1 0 343.514 3.683 20 0 EHADRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cc2cc(F)ccc2s1 ZINC000732906472 1130969347 /nfs/dbraw/zinc/96/93/47/1130969347.db2.gz YZAJZXVZNGFMGF-SNVBAGLBSA-N -1 0 343.445 3.536 20 0 EHADRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)/C=C(\C)c1ccccc1Cl ZINC000732909256 1130969597 /nfs/dbraw/zinc/96/95/97/1130969597.db2.gz YAQQQVZVLGATLW-CVCOIXHCSA-N -1 0 343.876 3.626 20 0 EHADRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1cc(SC)ccc1Cl ZINC000732905433 1130972270 /nfs/dbraw/zinc/97/22/70/1130972270.db2.gz QDWKTJDSABBUPT-JTQLQIEISA-N -1 0 349.905 3.558 20 0 EHADRM O=C([N-]c1nc(-c2ccc(F)cc2)ns1)c1scnc1Cl ZINC000732944180 1130975030 /nfs/dbraw/zinc/97/50/30/1130975030.db2.gz KIKANTDRDMDUDH-UHFFFAOYSA-N -1 0 340.792 3.706 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000737675558 1131452585 /nfs/dbraw/zinc/45/25/85/1131452585.db2.gz HSOCKFAUBCPQQM-ZWXCPPHNSA-N -1 0 327.355 3.741 20 0 EHADRM CC(C)(C)C1CCC(CC(=O)[N-]S(=O)(=O)c2ccccc2)CC1 ZINC000766230371 1131457427 /nfs/dbraw/zinc/45/74/27/1131457427.db2.gz VISPBSHFPBLNKX-UHFFFAOYSA-N -1 0 337.485 3.734 20 0 EHADRM CCSc1ccccc1C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1 ZINC000737347612 1131490526 /nfs/dbraw/zinc/49/05/26/1131490526.db2.gz QYQVZIAQFCERSE-CYBMUJFWSA-N -1 0 349.477 3.619 20 0 EHADRM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)/C=C/c1ccc(Cl)cc1 ZINC000737348015 1131491012 /nfs/dbraw/zinc/49/10/12/1131491012.db2.gz SYPWPHDXNQKTIP-SRXBQZRASA-N -1 0 349.839 3.560 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)[N-]S(=O)(=O)C2CCCCC2)cc1 ZINC000739174753 1131492546 /nfs/dbraw/zinc/49/25/46/1131492546.db2.gz PAQVPALIUFJNNT-AWEZNQCLSA-N -1 0 337.485 3.521 20 0 EHADRM CC(C)(C)CCC(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000739183542 1131493292 /nfs/dbraw/zinc/49/32/92/1131493292.db2.gz LUUGQEGFKZKVMY-UHFFFAOYSA-N -1 0 345.464 3.985 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccnn2[C@H](C)C2CC2)c1Cl ZINC000179991042 1131619085 /nfs/dbraw/zinc/61/90/85/1131619085.db2.gz GFTDPQHPOZBUEH-LLVKDONJSA-N -1 0 339.848 3.617 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccc(N(C)C)c(Cl)c1 ZINC000743046939 1131842740 /nfs/dbraw/zinc/84/27/40/1131842740.db2.gz CAZAHEQZSIPERR-UHFFFAOYSA-N -1 0 330.862 3.577 20 0 EHADRM CO[C@H](CNC(=O)c1c(O)cccc1Cl)c1cccc(Cl)c1 ZINC000743757790 1131972549 /nfs/dbraw/zinc/97/25/49/1131972549.db2.gz WHEOSHCCNWENHO-CQSZACIVSA-N -1 0 340.206 3.817 20 0 EHADRM CCCCCC[C@](C)(CC)C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000744001802 1132001972 /nfs/dbraw/zinc/00/19/72/1132001972.db2.gz LTUXQDADWDFYBJ-HNNXBMFYSA-N -1 0 331.503 3.940 20 0 EHADRM O=C(CC1CCC1)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000744014081 1132007548 /nfs/dbraw/zinc/00/75/48/1132007548.db2.gz LGUZITSIJYPPCI-UHFFFAOYSA-N -1 0 335.469 3.729 20 0 EHADRM CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000744003951 1132007565 /nfs/dbraw/zinc/00/75/65/1132007565.db2.gz SLNXPNHBBXLAFM-ZDUSSCGKSA-N -1 0 325.474 3.715 20 0 EHADRM CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000744005206 1132007782 /nfs/dbraw/zinc/00/77/82/1132007782.db2.gz COTIVPASQCYPIF-OAHLLOKOSA-N -1 0 325.474 3.715 20 0 EHADRM Cc1cccc(Nc2ccc3c(O)cc(S(=O)(=O)[O-])cc3c2)c1 ZINC001173809061 1132152197 /nfs/dbraw/zinc/15/21/97/1132152197.db2.gz WSEDBWNCMVZANO-UHFFFAOYSA-N -1 0 329.377 3.844 20 0 EHADRM Cc1cc(S(=O)(=O)[O-])c(Nc2ccc(F)c(F)c2)cc1Cl ZINC001173866212 1132158591 /nfs/dbraw/zinc/15/85/91/1132158591.db2.gz FPDDBQUCUYZOTG-UHFFFAOYSA-N -1 0 333.743 3.917 20 0 EHADRM COc1cccc(Nc2cc(Cl)c(C)cc2S(=O)(=O)[O-])c1 ZINC001173827959 1132161669 /nfs/dbraw/zinc/16/16/69/1132161669.db2.gz CFCZBXOCZAKNQC-UHFFFAOYSA-N -1 0 327.789 3.647 20 0 EHADRM Cc1cc(F)ccc1Nc1c(O)cc(S(=O)(=O)[O-])c2ccccc21 ZINC001173967846 1132186978 /nfs/dbraw/zinc/18/69/78/1132186978.db2.gz GXAATYFEDFEWKP-UHFFFAOYSA-N -1 0 347.367 3.983 20 0 EHADRM COc1cc(F)ccc1Nc1ccc(S(=O)(=O)[O-])c2ccccc12 ZINC001174131527 1132247439 /nfs/dbraw/zinc/24/74/39/1132247439.db2.gz SIMACCIVCBUCIM-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000745967556 1132340443 /nfs/dbraw/zinc/34/04/43/1132340443.db2.gz OXHCAYOIZPSAES-GFCCVEGCSA-N -1 0 329.437 3.546 20 0 EHADRM Cc1cc(C)c(Nc2cccc(N3CCCC3)c2)c(S(=O)(=O)[O-])c1 ZINC001174488170 1132370534 /nfs/dbraw/zinc/37/05/34/1132370534.db2.gz GNUSSPPDPBVIIZ-UHFFFAOYSA-N -1 0 346.452 3.894 20 0 EHADRM COc1cc(C(C)=O)c(Nc2cccc(C=CC(=O)[O-])c2)cc1F ZINC001174497531 1132372980 /nfs/dbraw/zinc/37/29/80/1132372980.db2.gz WUDDKFIIAPSHDB-VOTSOKGWSA-N -1 0 329.327 3.878 20 0 EHADRM COC(=O)CCc1ccc(Nc2cccc(/C=C/C(=O)[O-])c2)cc1F ZINC001174499429 1132373243 /nfs/dbraw/zinc/37/32/43/1132373243.db2.gz QLHNWWYFBFGOJQ-WEVVVXLNSA-N -1 0 343.354 3.773 20 0 EHADRM COc1ccc(C2(NC(=O)c3ccc4[n-]c(=S)oc4c3)CC2)cc1 ZINC000746241697 1132396694 /nfs/dbraw/zinc/39/66/94/1132396694.db2.gz NYSKIOICHNJWBM-UHFFFAOYSA-N -1 0 340.404 3.544 20 0 EHADRM CCS(=O)(=O)c1ccc(O)c(Nc2cccc(C(F)F)c2)c1 ZINC001174619840 1132418871 /nfs/dbraw/zinc/41/88/71/1132418871.db2.gz WBYSHGYKNSNJBV-UHFFFAOYSA-N -1 0 327.352 3.867 20 0 EHADRM CCOc1ccc2c(c1)[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)CCO2 ZINC000187537803 1132431148 /nfs/dbraw/zinc/43/11/48/1132431148.db2.gz PVYMBRNPFSHOHR-HNNXBMFYSA-N -1 0 347.798 3.698 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1snnc1-c1ccccc1 ZINC001174673350 1132432786 /nfs/dbraw/zinc/43/27/86/1132432786.db2.gz GIJBAWBRLBKPPS-UHFFFAOYSA-N -1 0 327.365 3.656 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1c(C)nccc1Br ZINC001174673732 1132432971 /nfs/dbraw/zinc/43/29/71/1132432971.db2.gz LMHHGFGTRVAUOM-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM CCOC(=O)c1cc(Nc2ccc(C(=O)[O-])cc2OC)ccc1Cl ZINC001174676262 1132433173 /nfs/dbraw/zinc/43/31/73/1132433173.db2.gz HSVCPMLSOKVDEZ-UHFFFAOYSA-N -1 0 349.770 3.967 20 0 EHADRM O=S(=O)([O-])c1cc(Cl)ccc1Nc1ccc2c(c1)CCCO2 ZINC001174721063 1132450638 /nfs/dbraw/zinc/45/06/38/1132450638.db2.gz BGUBKNVJIHNGKD-UHFFFAOYSA-N -1 0 339.800 3.655 20 0 EHADRM Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000746338624 1132472198 /nfs/dbraw/zinc/47/21/98/1132472198.db2.gz XTCRBKZFEWYEBP-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM COc1cccc(Br)c1Nc1ccc(C(=O)[O-])s1 ZINC001174806397 1132478079 /nfs/dbraw/zinc/47/80/79/1132478079.db2.gz BBCKDJNQYIYUNX-UHFFFAOYSA-N -1 0 328.187 3.961 20 0 EHADRM Cc1cc(Br)c(Nc2ccc(C(=O)[O-])s2)nc1C ZINC001174807641 1132478819 /nfs/dbraw/zinc/47/88/19/1132478819.db2.gz LLDWADPCKVDEPY-UHFFFAOYSA-N -1 0 327.203 3.964 20 0 EHADRM COC(=O)c1cnc2ccc(Nc3ccc(C(=O)[O-])s3)cc2c1 ZINC001174807933 1132479511 /nfs/dbraw/zinc/47/95/11/1132479511.db2.gz NAUVJBFEVOSLRJ-UHFFFAOYSA-N -1 0 328.349 3.525 20 0 EHADRM Cc1ccc(-c2cc(C(=O)Nc3ccc(C=CC(=O)[O-])cc3)n[nH]2)cc1 ZINC000746352830 1132487065 /nfs/dbraw/zinc/48/70/65/1132487065.db2.gz WVBMBZAQMUOGRK-IZZDOVSWSA-N -1 0 347.374 3.735 20 0 EHADRM Cc1cc(N)n(-c2ccc(-c3cc(C(=O)[O-])c4ccccc4n3)cc2)n1 ZINC001174852718 1132488076 /nfs/dbraw/zinc/48/80/76/1132488076.db2.gz KDVKQIYSKSLELS-UHFFFAOYSA-N -1 0 344.374 3.676 20 0 EHADRM COC(=O)c1cc(Cl)c(F)cc1Nc1ccc(CC(=O)[O-])cc1 ZINC001174956497 1132518596 /nfs/dbraw/zinc/51/85/96/1132518596.db2.gz MRLAANUOFACRJE-UHFFFAOYSA-N -1 0 337.734 3.636 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2cc(F)c(F)c(F)c2)c(Cl)c1 ZINC001174960896 1132519788 /nfs/dbraw/zinc/51/97/88/1132519788.db2.gz LGIIEJQQQBMJAJ-UHFFFAOYSA-N -1 0 337.706 3.748 20 0 EHADRM COc1ccc(-n2ncc(C)c2Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC001174983869 1132535172 /nfs/dbraw/zinc/53/51/72/1132535172.db2.gz UNVARWIUWKTCTM-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1ccnc(F)c1Br ZINC001174983711 1132535339 /nfs/dbraw/zinc/53/53/39/1132535339.db2.gz QPGLMJNRTVOXIP-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1N(C)c1cc(Br)ccc1N ZINC001174984933 1132536197 /nfs/dbraw/zinc/53/61/97/1132536197.db2.gz WXUHIJWITWRQNX-UHFFFAOYSA-N -1 0 335.201 3.806 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000746453051 1132538376 /nfs/dbraw/zinc/53/83/76/1132538376.db2.gz KBQMKARGHBBIMW-UHFFFAOYSA-N -1 0 349.452 3.690 20 0 EHADRM CC(C)(C)C1CCC(CC(=O)[N-]S(=O)(=O)c2ccsc2)CC1 ZINC000766451677 1132545475 /nfs/dbraw/zinc/54/54/75/1132545475.db2.gz RINXOFPLBMDMIH-UHFFFAOYSA-N -1 0 343.514 3.796 20 0 EHADRM CCOc1ccc(F)cc1Nc1cc(S(=O)(=O)[O-])ccc1Cl ZINC001175083615 1132563104 /nfs/dbraw/zinc/56/31/04/1132563104.db2.gz RCRGEUWULIAQIK-UHFFFAOYSA-N -1 0 345.779 3.868 20 0 EHADRM O=C([O-])c1cc(Br)cc(NCCCCc2ccccn2)c1 ZINC001168803571 1132563083 /nfs/dbraw/zinc/56/30/83/1132563083.db2.gz TVUTYORVWLIMNQ-UHFFFAOYSA-N -1 0 349.228 3.977 20 0 EHADRM COc1ccc(-n2nc(C)cc2Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001175154260 1132568579 /nfs/dbraw/zinc/56/85/79/1132568579.db2.gz HAYWTIXZAGFBMD-UHFFFAOYSA-N -1 0 341.342 3.770 20 0 EHADRM Cc1cnc(Br)c(Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001175154330 1132568786 /nfs/dbraw/zinc/56/87/86/1132568786.db2.gz JVVBFSHAFRGSPQ-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM CC(C)(C)c1cc2ncc(Nc3ccc(C(=O)[O-])c(F)c3)cn2n1 ZINC001175159020 1132570997 /nfs/dbraw/zinc/57/09/97/1132570997.db2.gz WDJDKCKHUAHWIU-UHFFFAOYSA-N -1 0 328.347 3.608 20 0 EHADRM O=C([O-])c1cc(Nc2cc(OC(F)(F)F)ccc2O)ccc1F ZINC001175222671 1132599826 /nfs/dbraw/zinc/59/98/26/1132599826.db2.gz ZMABQEHQLNIEKH-UHFFFAOYSA-N -1 0 331.221 3.872 20 0 EHADRM CC(=O)c1ccc(Nc2c(C)cc(C)cc2S(=O)(=O)[O-])cc1F ZINC001175234775 1132603964 /nfs/dbraw/zinc/60/39/64/1132603964.db2.gz ZSBJMXVIXHXUEU-UHFFFAOYSA-N -1 0 337.372 3.635 20 0 EHADRM CC(=O)c1ccc(F)c(Nc2ccc(Cl)cc2S(=O)(=O)[O-])c1 ZINC001175275160 1132609096 /nfs/dbraw/zinc/60/90/96/1132609096.db2.gz AHMHUSHCRYXYAC-UHFFFAOYSA-N -1 0 343.763 3.672 20 0 EHADRM Cc1cnc(Nc2ccc(C(=O)[O-])c(Cl)c2)c(Br)n1 ZINC001175315248 1132636147 /nfs/dbraw/zinc/63/61/47/1132636147.db2.gz BFSAPJIYSIYYKV-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM C[C@@H]1Cc2cc(Nc3ccc(C(=O)[O-])c(Cl)c3)ccc2N(C)C1=O ZINC001175321588 1132638335 /nfs/dbraw/zinc/63/83/35/1132638335.db2.gz WIEISBVBBQDFNJ-SNVBAGLBSA-N -1 0 344.798 3.937 20 0 EHADRM O=C([O-])c1cccc(Nc2cc(Cl)ncc2Br)c1 ZINC001175328130 1132640061 /nfs/dbraw/zinc/64/00/61/1132640061.db2.gz CWJVPHULKWTCJE-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM COC(=O)c1sc2nc(C)ccc2c1Nc1cccc(C(=O)[O-])c1 ZINC001175329086 1132640397 /nfs/dbraw/zinc/64/03/97/1132640397.db2.gz SLWKGLIISKOFKF-UHFFFAOYSA-N -1 0 342.376 3.833 20 0 EHADRM O=C([O-])c1cccc(Nc2cc(F)ccc2OC[C@@H]2CCCO2)c1 ZINC001175328727 1132640458 /nfs/dbraw/zinc/64/04/58/1132640458.db2.gz BOLRXJRWUHVFPQ-HNNXBMFYSA-N -1 0 331.343 3.825 20 0 EHADRM CC(C)(C)OC(=O)c1ccc(Nc2cccc(C(=O)[O-])c2)c(O)c1 ZINC001175335225 1132641868 /nfs/dbraw/zinc/64/18/68/1132641868.db2.gz XWDXUYQRBPKXBI-UHFFFAOYSA-N -1 0 329.352 3.789 20 0 EHADRM O=C([O-])c1cccc(Nc2c(F)cccc2OC2CCOCC2)c1 ZINC001175334891 1132641888 /nfs/dbraw/zinc/64/18/88/1132641888.db2.gz NMTYNLSYAQQGIN-UHFFFAOYSA-N -1 0 331.343 3.825 20 0 EHADRM CSc1ccc(Nc2cc(Cl)c(C)cc2S(=O)(=O)[O-])cn1 ZINC001175655193 1132732161 /nfs/dbraw/zinc/73/21/61/1132732161.db2.gz AGBHSBRLSOQKFH-UHFFFAOYSA-N -1 0 344.845 3.756 20 0 EHADRM Cc1cc(=O)n(-c2ccc(NCc3ccc(C)c4ccccc34)nn2)[n-]1 ZINC001169414503 1132747859 /nfs/dbraw/zinc/74/78/59/1132747859.db2.gz YBSKZXSOXNDEBF-UHFFFAOYSA-N -1 0 345.406 3.663 20 0 EHADRM CC[C@@H](NC(=O)c1cccc(Cl)c1[O-])c1ccc(OC)c(OC)c1 ZINC000804322870 1132749169 /nfs/dbraw/zinc/74/91/69/1132749169.db2.gz ANUQBOIZOMGYBA-CQSZACIVSA-N -1 0 349.814 3.944 20 0 EHADRM COc1cc(Nc2c(C)cc(C)cc2S(=O)(=O)[O-])ccc1Cl ZINC001175773897 1132762339 /nfs/dbraw/zinc/76/23/39/1132762339.db2.gz YNQGJQYHGGOVKT-UHFFFAOYSA-N -1 0 341.816 3.956 20 0 EHADRM CS(=O)(=O)c1ccc(Nc2cc(Cl)ccc2[S-])c(F)c1 ZINC001176277302 1132888732 /nfs/dbraw/zinc/88/87/32/1132888732.db2.gz JTVDVYMSCFDQBV-UHFFFAOYSA-N -1 0 331.821 3.915 20 0 EHADRM CC(C)c1ccc(Nc2cnn(CC(=O)[O-])c2)c(Br)c1 ZINC001176267221 1132897624 /nfs/dbraw/zinc/89/76/24/1132897624.db2.gz PEECPTIEGJEVMH-UHFFFAOYSA-N -1 0 338.205 3.597 20 0 EHADRM CC(C)Oc1ccc(Nc2cnn(CC(=O)[O-])c2)cc1C(F)(F)F ZINC001176271621 1132899429 /nfs/dbraw/zinc/89/94/29/1132899429.db2.gz XWYVVFCIZAOYLF-UHFFFAOYSA-N -1 0 343.305 3.517 20 0 EHADRM CC(C)c1nnc([N-]c2cccc3c2cnn3[C@@H]2CCCCO2)o1 ZINC001176314812 1132911854 /nfs/dbraw/zinc/91/18/54/1132911854.db2.gz DERKNGIOVZXONC-HNNXBMFYSA-N -1 0 327.388 3.985 20 0 EHADRM O=C([O-])c1cc(Nc2cc(Br)c3nccn3c2)cs1 ZINC001176435210 1132928000 /nfs/dbraw/zinc/92/80/00/1132928000.db2.gz AEBAYGQIRLHILY-UHFFFAOYSA-N -1 0 338.186 3.600 20 0 EHADRM Cc1cc(Nc2csc(C(=O)[O-])c2)n(Cc2ccccc2F)n1 ZINC001176435945 1132928784 /nfs/dbraw/zinc/92/87/84/1132928784.db2.gz KEERVENBSIWTEK-UHFFFAOYSA-N -1 0 331.372 3.882 20 0 EHADRM Cc1cnn(Cc2ccccc2F)c1Nc1csc(C(=O)[O-])c1 ZINC001176436408 1132929158 /nfs/dbraw/zinc/92/91/58/1132929158.db2.gz LNHQAIWHYPFRMI-UHFFFAOYSA-N -1 0 331.372 3.882 20 0 EHADRM C[C@@H]1c2sccc2CCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC001176442134 1132930789 /nfs/dbraw/zinc/93/07/89/1132930789.db2.gz XLOAPTWHWHRRQQ-SECBINFHSA-N -1 0 330.434 3.938 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)/C=C/c1ccccc1Cl)c1ccccc1 ZINC000767067250 1132940875 /nfs/dbraw/zinc/94/08/75/1132940875.db2.gz IKNGPCQMGWZENT-NKNULTIOSA-N -1 0 343.810 3.931 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3ccc4c(c3)CN(C3CC3)C4=O)cc2)CC1 ZINC001176588043 1132961689 /nfs/dbraw/zinc/96/16/89/1132961689.db2.gz GWJODLYGTVHABZ-UHFFFAOYSA-N -1 0 348.402 3.665 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2ccc(OCC(F)(F)F)nc2)cc1 ZINC001176590051 1132962730 /nfs/dbraw/zinc/96/27/30/1132962730.db2.gz QFGRPKAHLUQSSY-FPYGCLRLSA-N -1 0 338.285 3.864 20 0 EHADRM COC(=O)c1cc(C)c(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cc1C ZINC001176589957 1132962920 /nfs/dbraw/zinc/96/29/20/1132962920.db2.gz JLKCUOSPRPOEEY-UHFFFAOYSA-N -1 0 339.391 3.950 20 0 EHADRM CC(C)S(=O)(=O)c1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC001176592934 1132963394 /nfs/dbraw/zinc/96/33/94/1132963394.db2.gz QSFDXNJSMRUKKM-LFYBBSHMSA-N -1 0 345.420 3.710 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2cc(Br)ncc2F)cc1 ZINC001176593823 1132963674 /nfs/dbraw/zinc/96/36/74/1132963674.db2.gz KLMSJWPYFVZGGG-ZZXKWVIFSA-N -1 0 337.148 3.825 20 0 EHADRM CN(c1ccc(/C=C/C(=O)[O-])cc1)c1cc(Br)ccc1N ZINC001176595242 1132963824 /nfs/dbraw/zinc/96/38/24/1132963824.db2.gz GNPHCTLEJPFFAV-RUDMXATFSA-N -1 0 347.212 3.897 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2c(F)cccc2N2CCOCC2)cc1 ZINC001176596388 1132963991 /nfs/dbraw/zinc/96/39/91/1132963991.db2.gz DEBGGUMZQMIXHF-RMKNXTFCSA-N -1 0 342.370 3.504 20 0 EHADRM COC(=O)c1c(F)cc(Nc2ccc(/C=C/C(=O)[O-])cc2)cc1F ZINC001176596031 1132964298 /nfs/dbraw/zinc/96/42/98/1132964298.db2.gz UZUBRZZGDMMYFJ-QPJJXVBHSA-N -1 0 333.290 3.593 20 0 EHADRM O=C([O-])C=Cc1ccc(Nc2ccc(F)c3c2OCCC3=O)cc1 ZINC001176597956 1132976198 /nfs/dbraw/zinc/97/61/98/1132976198.db2.gz PWKFOXIUXDOFDO-FPYGCLRLSA-N -1 0 327.311 3.632 20 0 EHADRM O=C([O-])c1ccc(Nc2c(Cl)nccc2Br)cc1 ZINC001176711292 1132995131 /nfs/dbraw/zinc/99/51/31/1132995131.db2.gz VOAIWHSPZLQOPY-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM Cn1ccc(C(=O)Nc2ccccc2SC(C)(C)C)c1CC(=O)[O-] ZINC001177370651 1133057591 /nfs/dbraw/zinc/05/75/91/1133057591.db2.gz RWTKRUFGCCUDJM-UHFFFAOYSA-N -1 0 346.452 3.795 20 0 EHADRM CC(=O)c1cc(F)c([O-])c(NC(=O)/C=C/SCc2ccco2)c1 ZINC001178433951 1133163803 /nfs/dbraw/zinc/16/38/03/1133163803.db2.gz YODCIKMOOUBKGS-GQCTYLIASA-N -1 0 335.356 3.713 20 0 EHADRM CC(=O)c1cc(F)c([O-])c(NC(=O)c2ccc(-c3ccccc3)[nH]2)c1 ZINC001178433976 1133163807 /nfs/dbraw/zinc/16/38/07/1133163807.db2.gz ZHLVXPMDGVJYJG-UHFFFAOYSA-N -1 0 338.338 3.981 20 0 EHADRM CC(=O)Nc1ccc(NC(=O)c2cc(F)cc(Cl)c2[O-])cc1C ZINC000768933496 1133205883 /nfs/dbraw/zinc/20/58/83/1133205883.db2.gz GTQJVKVBFWWIPS-UHFFFAOYSA-N -1 0 336.750 3.704 20 0 EHADRM C[C@@H](C(=O)[O-])N(C)C(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000769532744 1133310456 /nfs/dbraw/zinc/31/04/56/1133310456.db2.gz JCKRTGJNCXWWPU-NSHDSACASA-N -1 0 340.404 3.508 20 0 EHADRM CC(=O)Nc1ccc(Cl)c(NC(=O)c2c([O-])cccc2Cl)c1 ZINC000769717317 1133334514 /nfs/dbraw/zinc/33/45/14/1133334514.db2.gz WAYGVFQQDUXVNO-UHFFFAOYSA-N -1 0 339.178 3.910 20 0 EHADRM Nc1c(Cl)cc(NC(=O)c2s[n-]c(=O)c2Cl)cc1Cl ZINC000773848037 1133355084 /nfs/dbraw/zinc/35/50/84/1133355084.db2.gz AIJCSOMFOCQLMU-UHFFFAOYSA-N -1 0 338.603 3.643 20 0 EHADRM O=C([N-]OCCOc1ccccc1)C1(c2ccc(F)cc2F)CCC1 ZINC001180648450 1133402729 /nfs/dbraw/zinc/40/27/29/1133402729.db2.gz GUMFFSSVPBBDQA-UHFFFAOYSA-N -1 0 347.361 3.513 20 0 EHADRM CCOC(=O)c1cnc(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)[n-]1 ZINC001180901686 1133424856 /nfs/dbraw/zinc/42/48/56/1133424856.db2.gz NTYJAZHESZRJKE-CYBMUJFWSA-N -1 0 343.427 3.527 20 0 EHADRM COc1cc(Cl)ccc1NC(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC000773899549 1133448668 /nfs/dbraw/zinc/44/86/68/1133448668.db2.gz PHEKDFNAFWBFCI-ZDUSSCGKSA-N -1 0 333.771 3.546 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(SC(F)F)nc1 ZINC000771132236 1133516104 /nfs/dbraw/zinc/51/61/04/1133516104.db2.gz XDHCNHYFONKXKP-UHFFFAOYSA-N -1 0 348.371 3.645 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)[C@@H](C)CC(C)(C)C ZINC000774280717 1133655939 /nfs/dbraw/zinc/65/59/39/1133655939.db2.gz MIIZNCOEWGVQSB-NSHDSACASA-N -1 0 331.865 3.526 20 0 EHADRM O=C(Nc1cc(-c2ccccn2)no1)C(F)(F)c1ccc(F)cc1 ZINC001182885008 1133741139 /nfs/dbraw/zinc/74/11/39/1133741139.db2.gz JSZPZYQZTSNHNB-UHFFFAOYSA-N -1 0 333.269 3.606 20 0 EHADRM O=C([N-]Cc1cc(C(F)(F)F)ccn1)C(F)(F)c1ccc(F)cc1 ZINC001182891533 1133744910 /nfs/dbraw/zinc/74/49/10/1133744910.db2.gz YVNMIQCLIBWSCT-UHFFFAOYSA-N -1 0 348.246 3.648 20 0 EHADRM Cc1cc(C)cc(OC[C@@H](C)NC(=O)Cc2ccc([S-])cc2)c1 ZINC001183186519 1133776516 /nfs/dbraw/zinc/77/65/16/1133776516.db2.gz DZKIRWRBBYMNSA-OAHLLOKOSA-N -1 0 329.465 3.718 20 0 EHADRM CC1(CCNC(=O)c2cc(Br)cc(Cl)c2[O-])CC1 ZINC001183359381 1133794164 /nfs/dbraw/zinc/79/41/64/1133794164.db2.gz NOJIVHXQGZZDIE-UHFFFAOYSA-N -1 0 332.625 3.728 20 0 EHADRM COc1ccc(C(=O)C(=O)Nc2c(Cl)ccc([O-])c2Cl)cc1 ZINC001183365169 1133794492 /nfs/dbraw/zinc/79/44/92/1133794492.db2.gz ZLLHZIKQRXLFCO-UHFFFAOYSA-N -1 0 340.162 3.529 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC001183916235 1133877736 /nfs/dbraw/zinc/87/77/36/1133877736.db2.gz FRYDPQISGJBTGO-VNHYZAJKSA-N -1 0 327.432 3.514 20 0 EHADRM C/C(=C\C(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccc(F)cc1 ZINC000786620769 1133879116 /nfs/dbraw/zinc/87/91/16/1133879116.db2.gz MMYRKVCWLSUYSN-ACCUITESSA-N -1 0 327.355 3.885 20 0 EHADRM C[C@H]1CCC[C@H](C(=O)Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)C1 ZINC001184509069 1133954636 /nfs/dbraw/zinc/95/46/36/1133954636.db2.gz JBTWBJFSOHSRRG-JSGCOSHPSA-N -1 0 347.436 3.851 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2cc3cccccc-3c2)cc1C(=O)[O-] ZINC001184668023 1133975275 /nfs/dbraw/zinc/97/52/75/1133975275.db2.gz PTCAFCQMWAXRDF-UHFFFAOYSA-N -1 0 341.388 3.599 20 0 EHADRM Cc1cc(Br)ccc1NC(=O)Nc1ncc(F)cc1[O-] ZINC001184792056 1133990842 /nfs/dbraw/zinc/99/08/42/1133990842.db2.gz YHKNWONKLNGDAG-UHFFFAOYSA-N -1 0 340.152 3.641 20 0 EHADRM CCc1nc2cccc(F)c2n1CC(=O)Nc1ccccc1[S-] ZINC001185007687 1134013471 /nfs/dbraw/zinc/01/34/71/1134013471.db2.gz NFRFSEXZNFXEEW-UHFFFAOYSA-N -1 0 329.400 3.665 20 0 EHADRM Cc1c(=O)[n-]n(-c2ccccc2)c1NC(=O)Nc1ccc(F)c(F)c1 ZINC001185124176 1134039492 /nfs/dbraw/zinc/03/94/92/1134039492.db2.gz XSJDGBJRLGOHSH-UHFFFAOYSA-N -1 0 344.321 3.809 20 0 EHADRM Cc1c(=O)[n-]n(-c2ccccc2)c1NC(=O)Nc1cc(C)ccc1F ZINC001185286552 1134063553 /nfs/dbraw/zinc/06/35/53/1134063553.db2.gz WOLKIUCLSRFDHN-UHFFFAOYSA-N -1 0 340.358 3.978 20 0 EHADRM O=C(CSCc1cc(-c2cccs2)on1)[N-]OC1CCCC1 ZINC000774870773 1134080498 /nfs/dbraw/zinc/08/04/98/1134080498.db2.gz YHAVUOCAIAOGCX-UHFFFAOYSA-N -1 0 338.454 3.627 20 0 EHADRM O=S(=O)([N-]c1cc(F)cc(F)c1)c1cc2ccccc2s1 ZINC001185421929 1134082281 /nfs/dbraw/zinc/08/22/81/1134082281.db2.gz XFXKBTBLKQBKFW-UHFFFAOYSA-N -1 0 325.361 3.980 20 0 EHADRM O=C(CSCc1ccc(Br)cc1)[N-]OC1CCCC1 ZINC000774874907 1134082400 /nfs/dbraw/zinc/08/24/00/1134082400.db2.gz IHQIVLKXZSWYHQ-UHFFFAOYSA-N -1 0 344.274 3.673 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cc3ccccc3s2)cc1OC ZINC001185459118 1134091111 /nfs/dbraw/zinc/09/11/11/1134091111.db2.gz DVQWEYVMQQJYIZ-UHFFFAOYSA-N -1 0 349.433 3.719 20 0 EHADRM O=S(=O)([N-]c1cccc2nccnc12)c1cc2ccccc2s1 ZINC001185458845 1134091285 /nfs/dbraw/zinc/09/12/85/1134091285.db2.gz AHAMYBBTJBQTAL-UHFFFAOYSA-N -1 0 341.417 3.645 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nccc3ccccc32)ccc1Cl ZINC001185485290 1134096684 /nfs/dbraw/zinc/09/66/84/1134096684.db2.gz RLHZTSWBCLKIOK-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)n(C2CCC2)n1 ZINC001185497497 1134098839 /nfs/dbraw/zinc/09/88/39/1134098839.db2.gz XFABRDFXHHPSDW-UHFFFAOYSA-N -1 0 339.848 3.679 20 0 EHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1 ZINC001185521091 1134102589 /nfs/dbraw/zinc/10/25/89/1134102589.db2.gz NFPNMGGAJZMZDQ-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1 ZINC001185525175 1134103196 /nfs/dbraw/zinc/10/31/96/1134103196.db2.gz UQYXMXREPRZWGB-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)Nc1nc(C2CC2)cs1)C(=O)[O-] ZINC000788323355 1134113420 /nfs/dbraw/zinc/11/34/20/1134113420.db2.gz VBMVVKJRAWWDSN-MRXNPFEDSA-N -1 0 339.461 3.956 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2)c2ccccc12 ZINC001185686966 1134120219 /nfs/dbraw/zinc/12/02/19/1134120219.db2.gz GWIJZNZQSFZWRX-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cccc(F)c2C)on1 ZINC001185795974 1134134029 /nfs/dbraw/zinc/13/40/29/1134134029.db2.gz VACYARBMZKCZTG-SNVBAGLBSA-N -1 0 326.393 3.827 20 0 EHADRM O=C(c1cccc([S-])c1)N1CCOC[C@H]1c1ccc(Cl)cc1 ZINC001186149745 1134175550 /nfs/dbraw/zinc/17/55/50/1134175550.db2.gz UGUJTABTQFXMOZ-INIZCTEOSA-N -1 0 333.840 3.842 20 0 EHADRM Cc1ccc(/C=C\S(=O)(=O)[N-]c2ncc(C(F)(F)F)s2)cc1 ZINC000788844681 1134181809 /nfs/dbraw/zinc/18/18/09/1134181809.db2.gz FDZKMEVRXAGZLU-SREVYHEPSA-N -1 0 348.371 3.883 20 0 EHADRM CCCCC[C@H](NS(=O)(=O)c1ccccc1[O-])c1ccccc1 ZINC001186525305 1134228859 /nfs/dbraw/zinc/22/88/59/1134228859.db2.gz ZELSYAZCGQYSIS-INIZCTEOSA-N -1 0 333.453 3.992 20 0 EHADRM O=S(=O)([N-]c1cncs1)c1ccc(OCc2ccccc2)cc1 ZINC001186633359 1134240628 /nfs/dbraw/zinc/24/06/28/1134240628.db2.gz HMXFVYSWKFIELS-UHFFFAOYSA-N -1 0 346.433 3.523 20 0 EHADRM C[C@H]1[C@H]2C[C@@H](C[C@H]1NC(=O)c1cc(F)c(F)c([O-])c1F)C2(C)C ZINC001186801395 1134254232 /nfs/dbraw/zinc/25/42/32/1134254232.db2.gz ISFYFAKIGKLKKY-ZOWUKKRWSA-N -1 0 327.346 3.610 20 0 EHADRM CC(C)C[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1ccccn1 ZINC001186798608 1134258809 /nfs/dbraw/zinc/25/88/09/1134258809.db2.gz POFFGAYMAMIOBG-ZDUSSCGKSA-N -1 0 338.329 3.722 20 0 EHADRM CCC1(NC(=O)c2cc(F)c(F)c([O-])c2F)CCC(F)(F)CC1 ZINC001186799156 1134259155 /nfs/dbraw/zinc/25/91/55/1134259155.db2.gz YHYIZAKTNOIULH-UHFFFAOYSA-N -1 0 337.288 3.897 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cc1C(F)(F)F)c1ccco1 ZINC001186851638 1134260298 /nfs/dbraw/zinc/26/02/98/1134260298.db2.gz IBWZEFJDJCCELU-UHFFFAOYSA-N -1 0 325.695 3.753 20 0 EHADRM O=S(=O)(Cc1cc(Cl)cc(Cl)c1)[N-]c1ncc(F)s1 ZINC001187035756 1134293505 /nfs/dbraw/zinc/29/35/05/1134293505.db2.gz LXCFKOJFYBHHEX-UHFFFAOYSA-N -1 0 341.216 3.531 20 0 EHADRM C[C@@H]1CC([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)C[C@@H](C)C1 ZINC001187163367 1134304794 /nfs/dbraw/zinc/30/47/94/1134304794.db2.gz AGZUYMILVASMMK-IUCAKERBSA-N -1 0 337.819 3.721 20 0 EHADRM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187173621 1134310330 /nfs/dbraw/zinc/31/03/30/1134310330.db2.gz HQBUNUHYKYCZKW-UHFFFAOYSA-N -1 0 337.466 3.745 20 0 EHADRM O=S(=O)([N-]c1cccc2c1OCCC2)c1cc2c(s1)CCCC2 ZINC001187208433 1134314785 /nfs/dbraw/zinc/31/47/85/1134314785.db2.gz AUEWIIWJMSFXRO-UHFFFAOYSA-N -1 0 349.477 3.753 20 0 EHADRM O=S(=O)([N-]c1cccc2c1CCCO2)c1cc2c(s1)CCCC2 ZINC001187217667 1134316448 /nfs/dbraw/zinc/31/64/48/1134316448.db2.gz FANWYLRWZMHIMI-UHFFFAOYSA-N -1 0 349.477 3.753 20 0 EHADRM Cc1ccc(NS(=O)(=O)c2ccc(OC(=O)C(C)(C)C)cc2)cc1 ZINC001187422493 1134333629 /nfs/dbraw/zinc/33/36/29/1134333629.db2.gz MKJUBJIFYKSSNE-UHFFFAOYSA-N -1 0 347.436 3.747 20 0 EHADRM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]c2cnn(C(F)F)c2)c1 ZINC000790068064 1134362350 /nfs/dbraw/zinc/36/23/50/1134362350.db2.gz LNXJSNDEMZCVHB-UHFFFAOYSA-N -1 0 349.790 3.856 20 0 EHADRM O=S(=O)([N-]c1ccc(Oc2ccccc2Cl)cc1)c1c[nH]cn1 ZINC001187761027 1134381325 /nfs/dbraw/zinc/38/13/25/1134381325.db2.gz PAPPBYLBNKTXSW-UHFFFAOYSA-N -1 0 349.799 3.656 20 0 EHADRM COc1cc(C)cc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c1 ZINC001187967073 1134411907 /nfs/dbraw/zinc/41/19/07/1134411907.db2.gz QNCWSIHVUIUVQV-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cccc(C(F)F)c2)c1C ZINC000790421350 1134414518 /nfs/dbraw/zinc/41/45/18/1134414518.db2.gz YCGLUOUXKWRYTK-JTQLQIEISA-N -1 0 343.399 3.901 20 0 EHADRM COc1ccc(Cl)c(CO[N-]C(=O)C(C)(C)c2ccccc2)c1 ZINC000790500909 1134427678 /nfs/dbraw/zinc/42/76/78/1134427678.db2.gz CLIZAZLWFCAPEH-UHFFFAOYSA-N -1 0 333.815 3.874 20 0 EHADRM CCCCCC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188328436 1134452405 /nfs/dbraw/zinc/45/24/05/1134452405.db2.gz HIXBOLUHVINFIE-UHFFFAOYSA-N -1 0 347.864 3.675 20 0 EHADRM CC[C@@H](C)n1ncc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)c1C ZINC000790782744 1134464593 /nfs/dbraw/zinc/46/45/93/1134464593.db2.gz RRLJEQMBOMJMID-SECBINFHSA-N -1 0 330.413 3.845 20 0 EHADRM O=C(NC[C@@H]1CCCC(F)(F)C1)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188598702 1134479894 /nfs/dbraw/zinc/47/98/94/1134479894.db2.gz VFRNLKVCIKYNGR-SECBINFHSA-N -1 0 337.288 3.966 20 0 EHADRM CC(C)CC1(NC(=O)c2ccc([O-])c(C(F)(F)F)c2)CCOCC1 ZINC001188598519 1134479909 /nfs/dbraw/zinc/47/99/09/1134479909.db2.gz JXGPQBIUVJZXQZ-UHFFFAOYSA-N -1 0 345.361 3.736 20 0 EHADRM Cc1ncc(NC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(=O)[nH]1 ZINC001189099867 1134544952 /nfs/dbraw/zinc/54/49/52/1134544952.db2.gz VFDFGKPUOCTJHX-UHFFFAOYSA-N -1 0 346.696 3.807 20 0 EHADRM O=S(=O)(Cc1ccc(F)c(F)c1)[N-]c1cc(C2CCCC2)no1 ZINC001189268830 1134565358 /nfs/dbraw/zinc/56/53/58/1134565358.db2.gz CMPKPDQSABWKFB-UHFFFAOYSA-N -1 0 342.367 3.552 20 0 EHADRM CCOc1cccnc1[N-]S(=O)(=O)c1ccc(F)c2ccccc21 ZINC001189356179 1134579979 /nfs/dbraw/zinc/57/99/79/1134579979.db2.gz NDHZSASELJILGU-UHFFFAOYSA-N -1 0 346.383 3.573 20 0 EHADRM O=C(Nc1ncc(F)cc1[O-])NC(c1ccccc1)c1ccccc1 ZINC001189516856 1134595036 /nfs/dbraw/zinc/59/50/36/1134595036.db2.gz CSJLFEQCZBOHFX-UHFFFAOYSA-N -1 0 337.354 3.837 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3c2CCC3)c1 ZINC001189563089 1134597863 /nfs/dbraw/zinc/59/78/63/1134597863.db2.gz BFEDQYQFWVIVFZ-UHFFFAOYSA-N -1 0 337.828 3.638 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3cccnc3c2)c1 ZINC001189606203 1134605725 /nfs/dbraw/zinc/60/57/25/1134605725.db2.gz ZQJHMIGCCIKGIV-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000775291621 1134615191 /nfs/dbraw/zinc/61/51/91/1134615191.db2.gz MYEAEUDAHGNQMB-LLVKDONJSA-N -1 0 331.503 3.776 20 0 EHADRM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1)C(F)(F)F ZINC001189741457 1134619289 /nfs/dbraw/zinc/61/92/89/1134619289.db2.gz VZQIUIZZBOXZDY-HQJQHLMTSA-N -1 0 347.761 3.734 20 0 EHADRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC000775298015 1134619338 /nfs/dbraw/zinc/61/93/38/1134619338.db2.gz ZROSASOIHWQMKU-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CCCC(=CC(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1C)CCC ZINC000792065695 1134646715 /nfs/dbraw/zinc/64/67/15/1134646715.db2.gz MBWXJWZRULBXHC-UHFFFAOYSA-N -1 0 341.448 3.607 20 0 EHADRM O=S(=O)([N-]c1cncc(C(F)(F)F)c1)c1ccc(C2CC2)cc1 ZINC001190469863 1134705610 /nfs/dbraw/zinc/70/56/10/1134705610.db2.gz UOPILFGJRUTAQA-UHFFFAOYSA-N -1 0 342.342 3.779 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccccc2)c(Cl)c1)c1ncc[nH]1 ZINC001190729671 1134743250 /nfs/dbraw/zinc/74/32/50/1134743250.db2.gz LXYOJDYHBNZPKU-UHFFFAOYSA-N -1 0 333.800 3.531 20 0 EHADRM COc1cc(C(=O)Nc2ccc(C(C)=O)cc2F)cc(Cl)c1[O-] ZINC001191147419 1134801853 /nfs/dbraw/zinc/80/18/53/1134801853.db2.gz PYENYKSWFBFZEC-UHFFFAOYSA-N -1 0 337.734 3.648 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(Cl)ncc2C)c1 ZINC001191150995 1134802459 /nfs/dbraw/zinc/80/24/59/1134802459.db2.gz LHVVJZNRMXFKCP-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2c(O)cccc2OC)cc1 ZINC001191253863 1134824706 /nfs/dbraw/zinc/82/47/06/1134824706.db2.gz QGJPDRYDPNITKA-UHFFFAOYSA-N -1 0 335.425 3.544 20 0 EHADRM COc1ccc(-n2ncc(C)c2Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC001203288656 1134830131 /nfs/dbraw/zinc/83/01/31/1134830131.db2.gz WVPOBDKBGTYNQY-UHFFFAOYSA-N -1 0 341.342 3.770 20 0 EHADRM Nc1cn(-c2ccc(C(=O)[O-])cc2F)c2ccc(Br)cc12 ZINC001203288420 1134831578 /nfs/dbraw/zinc/83/15/78/1134831578.db2.gz RQOZCOHRZVHKHA-UHFFFAOYSA-N -1 0 349.159 3.813 20 0 EHADRM O=S(=O)(CC1CCCC1)[N-]c1ncccc1Oc1ccccc1 ZINC001191481194 1134871359 /nfs/dbraw/zinc/87/13/59/1134871359.db2.gz KQRLVUALTLPPDP-UHFFFAOYSA-N -1 0 332.425 3.806 20 0 EHADRM Cc1noc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2Cl)c1C ZINC001191723374 1134904918 /nfs/dbraw/zinc/90/49/18/1134904918.db2.gz YPJGIJNUOCJNGY-UHFFFAOYSA-N -1 0 335.212 3.707 20 0 EHADRM Cc1noc(C)c1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1Cl ZINC001191728774 1134906233 /nfs/dbraw/zinc/90/62/33/1134906233.db2.gz LRMLGUOPWPGLPX-UHFFFAOYSA-N -1 0 335.212 3.707 20 0 EHADRM Cc1c(Cl)ccc(S(=O)(=O)[N-][C@H](C)C(F)(F)F)c1Cl ZINC001191767659 1134910831 /nfs/dbraw/zinc/91/08/31/1134910831.db2.gz NFKCZMNUXCDJAC-ZCFIWIBFSA-N -1 0 336.162 3.531 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]C(=O)C2=CCCCC2)c1Cl ZINC000793350685 1134916734 /nfs/dbraw/zinc/91/67/34/1134916734.db2.gz BAUVFWJIGYLYIZ-UHFFFAOYSA-N -1 0 348.251 3.607 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2scnc2c1 ZINC001191821332 1134930767 /nfs/dbraw/zinc/93/07/67/1134930767.db2.gz KCAIRDVCWLABKC-UHFFFAOYSA-N -1 0 348.449 3.804 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2occc2c1 ZINC001191828462 1134932542 /nfs/dbraw/zinc/93/25/42/1134932542.db2.gz HGKGVVJXWSNFPN-UHFFFAOYSA-N -1 0 331.393 3.941 20 0 EHADRM O=C([N-]Cc1c(F)c(F)cc(F)c1F)C(F)(F)Cc1ccccc1 ZINC000793622933 1134974715 /nfs/dbraw/zinc/97/47/15/1134974715.db2.gz ZMMIGBDUSMZDOU-UHFFFAOYSA-N -1 0 347.258 3.737 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2CC(F)(F)C[C@]2(C)CF)c(O)c1 ZINC001192313404 1134997299 /nfs/dbraw/zinc/99/72/99/1134997299.db2.gz DHWNYISXVIWFNF-MRXNPFEDSA-N -1 0 329.362 3.899 20 0 EHADRM CC(C)(C)c1ccc(C(=O)Nc2cncnc2C(F)(F)F)c(O)c1 ZINC001192313316 1134997340 /nfs/dbraw/zinc/99/73/40/1134997340.db2.gz ADFVZKCREZNZAI-UHFFFAOYSA-N -1 0 339.317 3.751 20 0 EHADRM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1ccc(C2CCC2)nc1 ZINC001192321681 1134998180 /nfs/dbraw/zinc/99/81/80/1134998180.db2.gz SVZNYHURGWVJOA-UHFFFAOYSA-N -1 0 337.832 3.507 20 0 EHADRM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1cccc2cc(O)ccc21 ZINC001192359413 1135005660 /nfs/dbraw/zinc/00/56/60/1135005660.db2.gz BONVNBSBTTXXCO-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM Nc1ccc(OC(F)(F)F)cc1Nc1ccc(C(=O)[O-])cc1F ZINC001203293001 1135007100 /nfs/dbraw/zinc/00/71/00/1135007100.db2.gz ABBGNRCXZMDUCA-UHFFFAOYSA-N -1 0 330.237 3.748 20 0 EHADRM Cc1cccc(C)c1[C@H]1CCCN1S(=O)(=O)c1cc([O-])cc(F)c1 ZINC001192416530 1135011967 /nfs/dbraw/zinc/01/19/67/1135011967.db2.gz UBKKDAPIQKHRLF-QGZVFWFLSA-N -1 0 349.427 3.674 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(O)cc2Br)c(F)c1 ZINC001203293461 1135012458 /nfs/dbraw/zinc/01/24/58/1135012458.db2.gz NQCXKXVZLHYLOY-UHFFFAOYSA-N -1 0 326.121 3.736 20 0 EHADRM O=C(Nc1cc(F)c(Cl)nc1Cl)c1c(F)ccc(F)c1[O-] ZINC001192694624 1135046499 /nfs/dbraw/zinc/04/64/99/1135046499.db2.gz KWYHZVYYAZQPSI-UHFFFAOYSA-N -1 0 337.084 3.764 20 0 EHADRM C[C@@H](NC(=O)c1c([O-])ccc(F)c1F)c1cccc(Cl)c1F ZINC001192770705 1135053117 /nfs/dbraw/zinc/05/31/17/1135053117.db2.gz ZELLEGZQQMQQAL-SSDOTTSWSA-N -1 0 329.705 3.954 20 0 EHADRM COc1ccc(CC2(NC(=O)c3c([O-])ccc(F)c3F)CCC2)cc1 ZINC001192785713 1135054410 /nfs/dbraw/zinc/05/44/10/1135054410.db2.gz KGWFYAJGCQCRHJ-UHFFFAOYSA-N -1 0 347.361 3.574 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2SC)c1 ZINC001192805330 1135056680 /nfs/dbraw/zinc/05/66/80/1135056680.db2.gz GTRCVIURZILFLP-UHFFFAOYSA-N -1 0 337.466 3.780 20 0 EHADRM COc1cc(OC)c(NC(=O)c2ccc([O-])c(F)c2F)cc1Cl ZINC001192819535 1135059423 /nfs/dbraw/zinc/05/94/23/1135059423.db2.gz ZRJBIGYCVUVEIC-UHFFFAOYSA-N -1 0 343.713 3.593 20 0 EHADRM CCN(Cc1cccc(F)c1F)C(=O)c1ccc([O-])c(F)c1F ZINC001192840617 1135064398 /nfs/dbraw/zinc/06/43/98/1135064398.db2.gz UOGFCJCUDFPQLM-UHFFFAOYSA-N -1 0 327.277 3.611 20 0 EHADRM O=C(N[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1)c1ccc([O-])c(F)c1F ZINC001192849157 1135064631 /nfs/dbraw/zinc/06/46/31/1135064631.db2.gz JSHGILUJNLWWCY-AODNKKSCSA-N -1 0 343.373 3.983 20 0 EHADRM O=C(Nc1cc(F)c(Cl)nc1Cl)c1cc(F)c([O-])cc1F ZINC001192852856 1135066277 /nfs/dbraw/zinc/06/62/77/1135066277.db2.gz LNIJMVHDIFHUHW-UHFFFAOYSA-N -1 0 337.084 3.764 20 0 EHADRM Cc1cccc2[nH]c(NC(=O)c3cc(Cl)nc(Cl)c3[O-])nc21 ZINC001193083460 1135096715 /nfs/dbraw/zinc/09/67/15/1135096715.db2.gz BNIWQNPXMZLUFZ-UHFFFAOYSA-N -1 0 337.166 3.531 20 0 EHADRM Cc1n[nH]c2cc(NC(=O)c3cc(Cl)nc(Cl)c3[O-])ccc12 ZINC001193090532 1135098425 /nfs/dbraw/zinc/09/84/25/1135098425.db2.gz PSIZQMCBMPQUDM-UHFFFAOYSA-N -1 0 337.166 3.531 20 0 EHADRM CN(Cc1ccc(F)cc1F)C(=O)c1cc(Cl)nc(Cl)c1[O-] ZINC001193088524 1135098991 /nfs/dbraw/zinc/09/89/91/1135098991.db2.gz CTHBEHSKKUMCKL-UHFFFAOYSA-N -1 0 347.148 3.644 20 0 EHADRM Cc1cc(CNC(=O)c2cccc(F)c2[O-])ccc1Br ZINC001129539844 1135099984 /nfs/dbraw/zinc/09/99/84/1135099984.db2.gz ONGJIRSKIJTNQM-UHFFFAOYSA-N -1 0 338.176 3.532 20 0 EHADRM O=C(c1ccc(O)cc1C(F)(F)F)N1CCC[C@@H]1c1ccccn1 ZINC001193745096 1135176528 /nfs/dbraw/zinc/17/65/28/1135176528.db2.gz CTEIGQJAVIXAJU-OAHLLOKOSA-N -1 0 336.313 3.783 20 0 EHADRM O=C(N[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1)c1ccc(F)c([O-])c1F ZINC001193800704 1135186248 /nfs/dbraw/zinc/18/62/48/1135186248.db2.gz OMDPPAMEVAVWIB-TVFIUFHYSA-N -1 0 343.373 3.983 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ncc2O)c2ccccc12 ZINC001193834223 1135191256 /nfs/dbraw/zinc/19/12/56/1135191256.db2.gz LHQAUGBBECETQN-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CC[C@H]2CSC[C@@H]2C1 ZINC000828510409 1135224776 /nfs/dbraw/zinc/22/47/76/1135224776.db2.gz IDGOCDSXYUZQQO-IUCAKERBSA-N -1 0 332.252 3.524 20 0 EHADRM CC(=O)c1oc2cc(C)ccc2c1CC(=O)NOC1CCCCC1 ZINC000805199899 1135246326 /nfs/dbraw/zinc/24/63/26/1135246326.db2.gz IBLQXDMNDKIBKE-UHFFFAOYSA-N -1 0 329.396 3.867 20 0 EHADRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)N(C)[C@@H]1CCc2ccccc21 ZINC001194270196 1135253335 /nfs/dbraw/zinc/25/33/35/1135253335.db2.gz KFCXVAXBLPUZPU-GOSISDBHSA-N -1 0 347.418 3.646 20 0 EHADRM CC(C)CCC[C@@H](C)NS(=O)(=O)c1ncccc1C(F)(F)F ZINC001194586359 1135288743 /nfs/dbraw/zinc/28/87/43/1135288743.db2.gz HUSDWKZWACKKRN-LLVKDONJSA-N -1 0 338.395 3.594 20 0 EHADRM COc1ccc(C(C)=O)c([N-]S(=O)(=O)c2c(C)cccc2C)c1C ZINC001194637744 1135295192 /nfs/dbraw/zinc/29/51/92/1135295192.db2.gz DDNCZTOAZROLTQ-UHFFFAOYSA-N -1 0 347.436 3.624 20 0 EHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1cc(-c2ccccc2)cnn1 ZINC001194616743 1135299980 /nfs/dbraw/zinc/29/99/80/1135299980.db2.gz ZPNDUTCOFDQBLW-UHFFFAOYSA-N -1 0 339.420 3.561 20 0 EHADRM CCc1cc([N-]S(=O)(=O)c2cccc3nccnc32)c(C)cc1C ZINC001194987865 1135350830 /nfs/dbraw/zinc/35/08/30/1135350830.db2.gz JTGDFHNPGZQYNH-UHFFFAOYSA-N -1 0 341.436 3.610 20 0 EHADRM COc1ccc(Cl)cc1CN(C)C(=O)c1cccc(Cl)c1[O-] ZINC000775644598 1135395243 /nfs/dbraw/zinc/39/52/43/1135395243.db2.gz QCESZAMGLOEPPW-UHFFFAOYSA-N -1 0 340.206 3.980 20 0 EHADRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC001195267309 1135402118 /nfs/dbraw/zinc/40/21/18/1135402118.db2.gz BPKYNHCLCATQRC-UHFFFAOYSA-N -1 0 343.807 3.987 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cnc(Cl)c(F)c1 ZINC001195279320 1135404640 /nfs/dbraw/zinc/40/46/40/1135404640.db2.gz XXFVLWKGOFWTNO-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CCCCOc1c(NC(=O)c2nc(C)ccc2O)ccc(F)c1F ZINC001195327109 1135406200 /nfs/dbraw/zinc/40/62/00/1135406200.db2.gz XBTIYRCUCWHGRR-UHFFFAOYSA-N -1 0 336.338 3.805 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)N[C@@H](C1CCC1)C(F)(F)F ZINC001195328611 1135406507 /nfs/dbraw/zinc/40/65/07/1135406507.db2.gz ZDAPVRJDLCRRBT-LBPRGKRZSA-N -1 0 341.782 3.658 20 0 EHADRM O=C(NC(=S)Nc1cc(Cl)c([O-])cc1Cl)c1ccccc1 ZINC001195415938 1135421113 /nfs/dbraw/zinc/42/11/13/1135421113.db2.gz SDKJKISAEPUEQO-UHFFFAOYSA-N -1 0 341.219 3.826 20 0 EHADRM CCOC([O-])=NC(=S)N=c1c(Cl)ccc2[nH]c(Cl)ccc1-2 ZINC001195486934 1135431843 /nfs/dbraw/zinc/43/18/43/1135431843.db2.gz NNJBLCSWUCDLPA-UHFFFAOYSA-N -1 0 344.223 3.985 20 0 EHADRM O=C(NCc1ncc(-c2ccccc2)o1)c1cccc(Cl)c1[O-] ZINC000775658747 1135432133 /nfs/dbraw/zinc/43/21/33/1135432133.db2.gz RSBPZMAMFXULDM-UHFFFAOYSA-N -1 0 328.755 3.631 20 0 EHADRM CN(Cc1ccn(-c2ccccc2)n1)C(=O)c1cccc(Cl)c1[O-] ZINC000775665287 1135438571 /nfs/dbraw/zinc/43/85/71/1135438571.db2.gz KRSICSXMBLONMN-UHFFFAOYSA-N -1 0 341.798 3.504 20 0 EHADRM Cc1noc(C(F)(F)F)c1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000805261681 1135446407 /nfs/dbraw/zinc/44/64/07/1135446407.db2.gz JPNQHQUMBPVPRK-UHFFFAOYSA-N -1 0 338.644 3.752 20 0 EHADRM Cc1[nH][nH]c(=O)c1CCNC(=O)c1cc(C)ccc1-c1ccc(C)cc1 ZINC001195699022 1135457647 /nfs/dbraw/zinc/45/76/47/1135457647.db2.gz VIBFKPQTEAGDQW-UHFFFAOYSA-N -1 0 349.434 3.680 20 0 EHADRM CC(C)n1ncc2c1nc(/C=C/c1ccc(Cl)nc1)cc2C(=O)[O-] ZINC000806560788 1135460224 /nfs/dbraw/zinc/46/02/24/1135460224.db2.gz QMYMKZXUQASLDZ-HWKANZROSA-N -1 0 342.786 3.929 20 0 EHADRM CC(C)Oc1ncccc1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000807076180 1135517747 /nfs/dbraw/zinc/51/77/47/1135517747.db2.gz WEHWRNZAUYSVHS-UHFFFAOYSA-N -1 0 329.381 3.551 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cn1 ZINC001196197803 1135530012 /nfs/dbraw/zinc/53/00/12/1135530012.db2.gz UKBPZFUMVZGBJI-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM O=S(=O)([N-]c1cccc(-c2cccnc2)c1)c1ccc(Cl)cn1 ZINC001196238260 1135539171 /nfs/dbraw/zinc/53/91/71/1135539171.db2.gz XSOVXKNOBGZAGD-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM O=C([N-]c1nsc2ncccc12)c1snc(Cl)c1Cl ZINC001196334114 1135547345 /nfs/dbraw/zinc/54/73/45/1135547345.db2.gz OBNNCPUXUZBMIU-UHFFFAOYSA-N -1 0 331.209 3.707 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2C)c(F)c1 ZINC001196379932 1135552262 /nfs/dbraw/zinc/55/22/62/1135552262.db2.gz GAEGADJMUSVZBZ-UHFFFAOYSA-N -1 0 345.342 3.845 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(C)ccnc3c2)c(F)c1 ZINC001196384399 1135552671 /nfs/dbraw/zinc/55/26/71/1135552671.db2.gz MVPFMDQEWDHJDW-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM CN(Cc1ccc(F)cc1F)C(=O)c1cc(Cl)c(F)cc1[O-] ZINC001196466698 1135564171 /nfs/dbraw/zinc/56/41/71/1135564171.db2.gz JGEMWRKQZSOLDL-UHFFFAOYSA-N -1 0 329.705 3.735 20 0 EHADRM O=C(c1cc(Cl)c(F)cc1[O-])N1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001196465692 1135564190 /nfs/dbraw/zinc/56/41/90/1135564190.db2.gz BNVRYMUJFVTGLU-PHIMTYICSA-N -1 0 331.774 3.912 20 0 EHADRM CSc1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)nc2C)c1 ZINC000808102270 1135617887 /nfs/dbraw/zinc/61/78/87/1135617887.db2.gz CFDXOCWTIBHQNZ-UHFFFAOYSA-N -1 0 342.873 3.875 20 0 EHADRM [O-]c1cc(NC(=S)NCc2ccccc2Cl)cc(F)c1F ZINC001196828114 1135620042 /nfs/dbraw/zinc/62/00/42/1135620042.db2.gz QXGLADSVBXVTAN-UHFFFAOYSA-N -1 0 328.771 3.810 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C3CCC3)n2)c(C)c1 ZINC001196857239 1135623773 /nfs/dbraw/zinc/62/37/73/1135623773.db2.gz FFPVVXDZJIHCFD-UHFFFAOYSA-N -1 0 346.452 3.775 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N2CCc3c(Cl)cccc3C2)cc1 ZINC001197096974 1135645672 /nfs/dbraw/zinc/64/56/72/1135645672.db2.gz SMHBZEHJCRWFIZ-UHFFFAOYSA-N -1 0 346.839 3.793 20 0 EHADRM Cc1nc2sccc2c(NC(=S)Nc2ccc(C(=O)[O-])cc2)n1 ZINC001197075535 1135647512 /nfs/dbraw/zinc/64/75/12/1135647512.db2.gz KOLZMEBUXPFOQK-UHFFFAOYSA-N -1 0 344.421 3.507 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197129584 1135648018 /nfs/dbraw/zinc/64/80/18/1135648018.db2.gz CRNAALXKRHBMIH-LLVKDONJSA-N -1 0 348.855 3.956 20 0 EHADRM Cc1nnc(-c2cccc(NC(=O)c3cccc(Cl)c3[O-])c2)o1 ZINC000775759164 1135650829 /nfs/dbraw/zinc/65/08/29/1135650829.db2.gz WXGKDSHSGKCCST-UHFFFAOYSA-N -1 0 329.743 3.656 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NCc2ccc(C(F)F)cc2)cc1 ZINC001197122448 1135652037 /nfs/dbraw/zinc/65/20/37/1135652037.db2.gz ZCLBYAUOGYDUEA-UHFFFAOYSA-N -1 0 336.363 3.809 20 0 EHADRM Cc1ccc(CCNC(=S)Nc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC001197127865 1135652434 /nfs/dbraw/zinc/65/24/34/1135652434.db2.gz DRHHJWXSBDTCKK-UHFFFAOYSA-N -1 0 328.437 3.531 20 0 EHADRM CC(C)(CNC(=S)Nc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001197127780 1135652616 /nfs/dbraw/zinc/65/26/16/1135652616.db2.gz CAWJNTJJURAJPK-UHFFFAOYSA-N -1 0 328.437 3.649 20 0 EHADRM COc1cc(O)ccc1C(=O)Nc1c(Cl)ccc([O-])c1Cl ZINC001197171292 1135656041 /nfs/dbraw/zinc/65/60/41/1135656041.db2.gz MELDXOWRUOIUNN-UHFFFAOYSA-N -1 0 328.151 3.666 20 0 EHADRM COc1ccc(N(C)C(=O)c2cccc(Cl)c2[O-])cc1Cl ZINC000775779402 1135708080 /nfs/dbraw/zinc/70/80/80/1135708080.db2.gz ZSYKLNALYJYFSP-UHFFFAOYSA-N -1 0 326.179 3.984 20 0 EHADRM Cc1cc(F)cc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)c1O ZINC001197684584 1135725769 /nfs/dbraw/zinc/72/57/69/1135725769.db2.gz DNEOHCWLJBIOMA-UHFFFAOYSA-N -1 0 347.770 3.574 20 0 EHADRM COc1ccc([C@H](OC)[C@H](C)NC(=O)c2cccc(Cl)c2[O-])cc1 ZINC000775816092 1135769859 /nfs/dbraw/zinc/76/98/59/1135769859.db2.gz XFZABEMUVHJIQH-APPDUMDISA-N -1 0 349.814 3.560 20 0 EHADRM O=S(=O)([N-]c1ccccc1C(F)(F)F)c1cccc(Cl)n1 ZINC001198187509 1135786060 /nfs/dbraw/zinc/78/60/60/1135786060.db2.gz FKFFDJAVMMGSGN-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM CCOC(=O)CC(C)(C)CCOC(=O)c1ccc([O-])c(Cl)c1 ZINC000805336091 1135797998 /nfs/dbraw/zinc/79/79/98/1135797998.db2.gz DJNDXQXGRNOSCL-UHFFFAOYSA-N -1 0 328.792 3.572 20 0 EHADRM O=C([O-])c1c(F)cc(Nc2cccc(Br)n2)cc1F ZINC001203316130 1135816445 /nfs/dbraw/zinc/81/64/45/1135816445.db2.gz IZJDFMRVBZIBHI-UHFFFAOYSA-N -1 0 329.100 3.564 20 0 EHADRM CC(C)([N-]C(=O)C(F)(F)F)c1nc(C2CCCCCCC2)no1 ZINC000809440855 1135840355 /nfs/dbraw/zinc/84/03/55/1135840355.db2.gz MYIIMTUTMRJUDH-UHFFFAOYSA-N -1 0 333.354 3.811 20 0 EHADRM O=S(=O)([N-]c1nc2ccc(F)cc2o1)c1ccc2occc2c1 ZINC001198820854 1135859187 /nfs/dbraw/zinc/85/91/87/1135859187.db2.gz ROZOHORQWPFWAF-UHFFFAOYSA-N -1 0 332.312 3.514 20 0 EHADRM COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198858926 1135861836 /nfs/dbraw/zinc/86/18/36/1135861836.db2.gz LXWDWAMIKGWAAO-UHFFFAOYSA-N -1 0 339.319 3.520 20 0 EHADRM Cc1cc(Nc2cc(F)c(C(=O)[O-])c(F)c2)cnc1Br ZINC001203318063 1135869584 /nfs/dbraw/zinc/86/95/84/1135869584.db2.gz AGKQCXPBDXDMIB-UHFFFAOYSA-N -1 0 343.127 3.873 20 0 EHADRM Cc1cc(=O)oc2cc(N(C)C(=O)c3ccc(Cl)cc3[O-])ccc12 ZINC000805351880 1135893767 /nfs/dbraw/zinc/89/37/67/1135893767.db2.gz PFQPUKKBEUZAKW-UHFFFAOYSA-N -1 0 343.766 3.737 20 0 EHADRM O=C([O-])c1c(F)cc(Nc2ccc(OCC(F)(F)F)nc2)cc1F ZINC001203321765 1135906209 /nfs/dbraw/zinc/90/62/09/1135906209.db2.gz KWZFHUUBKWYSFD-UHFFFAOYSA-N -1 0 348.227 3.743 20 0 EHADRM O=C([O-])c1c(F)cc(Nc2cncc(-c3ccccn3)c2)cc1F ZINC001203322672 1135912467 /nfs/dbraw/zinc/91/24/67/1135912467.db2.gz JDQGZFRVWMSOOS-UHFFFAOYSA-N -1 0 327.290 3.864 20 0 EHADRM [O-]c1c(F)c(F)ccc1NC(=S)Nc1ccc(-n2cccn2)cc1 ZINC001200890029 1135963801 /nfs/dbraw/zinc/96/38/01/1135963801.db2.gz KOWDFJQXADJLHU-UHFFFAOYSA-N -1 0 346.362 3.665 20 0 EHADRM O=S(=O)(NC1CC2(CCC2)C1)c1cc(Cl)c(Cl)cc1F ZINC001201283489 1136000353 /nfs/dbraw/zinc/00/03/53/1136000353.db2.gz XQKBLZJPWSQJJR-UHFFFAOYSA-N -1 0 338.231 3.744 20 0 EHADRM O=S(=O)([N-]c1cccc(F)c1)c1cccc(F)c1Br ZINC001201773702 1136061994 /nfs/dbraw/zinc/06/19/94/1136061994.db2.gz YLMGUHNJHIRUJX-UHFFFAOYSA-N -1 0 348.168 3.528 20 0 EHADRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1cncc(C(C)(C)C)c1 ZINC001201736540 1136063003 /nfs/dbraw/zinc/06/30/03/1136063003.db2.gz XWDUJXDZQMIMDE-UHFFFAOYSA-N -1 0 345.877 3.598 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@H](C)CSc2ccccc2)c1 ZINC001152939710 1136086271 /nfs/dbraw/zinc/08/62/71/1136086271.db2.gz WSZGKSGTKXUVNC-GFCCVEGCSA-N -1 0 329.421 3.962 20 0 EHADRM Cc1cccc(C)c1NC(=O)Nc1ncc(Br)cc1[O-] ZINC001202198319 1136109432 /nfs/dbraw/zinc/10/94/32/1136109432.db2.gz AWJZQJABFLRGTJ-UHFFFAOYSA-N -1 0 336.189 3.811 20 0 EHADRM CC(C)COc1ccc(C(C)(C)C(=O)[N-]O[C@H]2CCCCO2)cc1 ZINC000107582021 1136173347 /nfs/dbraw/zinc/17/33/47/1136173347.db2.gz IKDXZVXYBCIUAS-KRWDZBQOSA-N -1 0 335.444 3.573 20 0 EHADRM CCOC(=O)/C(=C\c1cc(F)c([O-])c(F)c1)c1ccncc1Cl ZINC000812244112 1136188545 /nfs/dbraw/zinc/18/85/45/1136188545.db2.gz DTIKYWASQMDEDF-WZUFQYTHSA-N -1 0 339.725 3.823 20 0 EHADRM CCC[C@@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1F)C(C)C ZINC000828133118 1136196133 /nfs/dbraw/zinc/19/61/33/1136196133.db2.gz NDCUXKQXTQXXLW-IUODEOHRSA-N -1 0 327.371 3.669 20 0 EHADRM O=C([N-]OC/C=C/Cl)C1(c2ccc(Br)cc2)CCC1 ZINC000812401736 1136201826 /nfs/dbraw/zinc/20/18/26/1136201826.db2.gz CKPSFGJWPKWVEY-XNWCZRBMSA-N -1 0 344.636 3.671 20 0 EHADRM CON(Cc1ccc(Cl)cc1)C(=O)c1c([O-])cccc1Cl ZINC000812799275 1136253124 /nfs/dbraw/zinc/25/31/24/1136253124.db2.gz VCUOLZFUPQBNFC-UHFFFAOYSA-N -1 0 326.179 3.903 20 0 EHADRM CCCC(C)(C)CC(=O)[N-]S(=O)(=O)c1cccc2c(C)ccnc21 ZINC000851139856 1136341428 /nfs/dbraw/zinc/34/14/28/1136341428.db2.gz RZISDQQLXKQTTA-UHFFFAOYSA-N -1 0 348.468 3.565 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H](C)c1cccc(F)c1 ZINC000814015795 1136386712 /nfs/dbraw/zinc/38/67/12/1136386712.db2.gz ZWJDBCLIAXYENZ-DYVFJYSZSA-N -1 0 349.427 3.527 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCCC(C)(C)C ZINC000814020095 1136386918 /nfs/dbraw/zinc/38/69/18/1136386918.db2.gz IXKBRJHYMKQGGA-HNNXBMFYSA-N -1 0 325.474 3.800 20 0 EHADRM CC[C@@H](C(=O)[N-]S(=O)(=O)[C@@H](CC)c1ccccc1)c1ccccc1 ZINC000814020850 1136387170 /nfs/dbraw/zinc/38/71/70/1136387170.db2.gz WSUVEINDDGEVRB-MSOLQXFVSA-N -1 0 345.464 3.778 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(/C=C/C(=O)[O-])o2)CC[C@@H]1c1ccccc1 ZINC000851595114 1136395266 /nfs/dbraw/zinc/39/52/66/1136395266.db2.gz MTRUBFQDHPXMFW-QLOXRLCESA-N -1 0 339.391 3.643 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N(CC2CCC2)c2ccccc2)o1 ZINC000851597430 1136395282 /nfs/dbraw/zinc/39/52/82/1136395282.db2.gz XVKJAUMRNWFWQA-ZRDIBKRKSA-N -1 0 325.364 3.824 20 0 EHADRM CC(C)(C)c1ccc(CNC(=O)c2ccc(/C=C\C(=O)[O-])o2)cc1 ZINC000851596285 1136395337 /nfs/dbraw/zinc/39/53/37/1136395337.db2.gz TYOSYZSFWPDSIF-LUAWRHEFSA-N -1 0 327.380 3.605 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N[C@H](c2ccccc2)C2CCC2)o1 ZINC000851602483 1136395730 /nfs/dbraw/zinc/39/57/30/1136395730.db2.gz VKTLRIGPHOVPAS-NCUBBLFSSA-N -1 0 325.364 3.649 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N[C@@H](c2ccccc2)C2CCC2)o1 ZINC000851602481 1136395771 /nfs/dbraw/zinc/39/57/71/1136395771.db2.gz VKTLRIGPHOVPAS-ANGAQGJPSA-N -1 0 325.364 3.649 20 0 EHADRM C[C@H]1CN(C(=O)c2cc3cc(Cl)ccc3s2)CC[C@H]1C(=O)[O-] ZINC000851604552 1136395932 /nfs/dbraw/zinc/39/59/32/1136395932.db2.gz ARYXWJMUUABCCP-JOYOIKCWSA-N -1 0 337.828 3.738 20 0 EHADRM CC1(C)C[C@@H](NC(=O)c2ccc(/C=C/C(=O)[O-])o2)c2ccccc21 ZINC000851608056 1136396117 /nfs/dbraw/zinc/39/61/17/1136396117.db2.gz YLBMBVDZKOSECV-TUPIDYKKSA-N -1 0 325.364 3.530 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(C(=O)/C=C\C2CCCCCC2)C1 ZINC000851614777 1136396316 /nfs/dbraw/zinc/39/63/16/1136396316.db2.gz UAPOPDYHBPYTHW-BYTACQFHSA-N -1 0 347.377 3.625 20 0 EHADRM CC[C@H](C)c1ccc(NC(=O)CN(CC(=O)[O-])CC(C)(C)C)cc1 ZINC000852740594 1136482201 /nfs/dbraw/zinc/48/22/01/1136482201.db2.gz SLSAYQCALGEWDQ-AWEZNQCLSA-N -1 0 334.460 3.571 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1c1ccc2ccc(Br)cc2n1 ZINC000852912546 1136493172 /nfs/dbraw/zinc/49/31/72/1136493172.db2.gz SXCUJCBOUXQKOR-PWSUYJOCSA-N -1 0 349.228 3.687 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000852948286 1136493867 /nfs/dbraw/zinc/49/38/67/1136493867.db2.gz WUUHNOLGRVFMBV-KRWDZBQOSA-N -1 0 342.439 3.621 20 0 EHADRM CC[C@H](CC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1F)C(C)C ZINC000776653551 1136523612 /nfs/dbraw/zinc/52/36/12/1136523612.db2.gz HLGYJXZTTLOSNS-IAQYHMDHSA-N -1 0 327.371 3.669 20 0 EHADRM CC[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1F)C(C)C ZINC000776653550 1136523618 /nfs/dbraw/zinc/52/36/18/1136523618.db2.gz HLGYJXZTTLOSNS-ABAIWWIYSA-N -1 0 327.371 3.669 20 0 EHADRM CCCCSCCC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000776657110 1136526944 /nfs/dbraw/zinc/52/69/44/1136526944.db2.gz AGTAYVLXRIUDOY-CQSZACIVSA-N -1 0 345.411 3.520 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)[C@H](C)Cc1ccc(F)cc1 ZINC000776673958 1136528788 /nfs/dbraw/zinc/52/87/88/1136528788.db2.gz WTPKWVYHNQTRPV-RDTXWAMCSA-N -1 0 343.398 3.645 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)/C=C/c1ccccc1Cl ZINC000776672492 1136528961 /nfs/dbraw/zinc/52/89/61/1136528961.db2.gz HGMRWQWKHGOAFJ-SXSDINLZSA-N -1 0 343.810 3.994 20 0 EHADRM CCCN(C)C(=O)N(C)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000776687505 1136555054 /nfs/dbraw/zinc/55/50/54/1136555054.db2.gz XSHYBINOHSKCRA-LBPRGKRZSA-N -1 0 333.215 3.513 20 0 EHADRM Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc([O-])c(Cl)c2)cc1C ZINC000854604597 1136631015 /nfs/dbraw/zinc/63/10/15/1136631015.db2.gz ACKDOXDATSGYJY-GFCCVEGCSA-N -1 0 347.798 3.846 20 0 EHADRM CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1ccc(-c2ccccc2)c(C)c1 ZINC000815711155 1136631751 /nfs/dbraw/zinc/63/17/51/1136631751.db2.gz HGDLYKGLFVBUBR-CQSZACIVSA-N -1 0 340.423 3.694 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)C(F)=C2CCCC2)s1 ZINC000815992283 1136660576 /nfs/dbraw/zinc/66/05/76/1136660576.db2.gz CCKOSMFXRUMYCM-UHFFFAOYSA-N -1 0 345.461 3.648 20 0 EHADRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)NC3CCCCCCC3)n2)c1 ZINC001135372456 1136671505 /nfs/dbraw/zinc/67/15/05/1136671505.db2.gz FCPWKEVAODINNJ-UHFFFAOYSA-N -1 0 345.418 3.868 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H](C)CC(C)(C)C ZINC000816107519 1136677316 /nfs/dbraw/zinc/67/73/16/1136677316.db2.gz LDAUFOHBOMRONF-HOCLYGCPSA-N -1 0 339.501 3.902 20 0 EHADRM CC[C@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)[C@H](c1ccccc1)C(C)C ZINC000816109856 1136677583 /nfs/dbraw/zinc/67/75/83/1136677583.db2.gz NOIHFQFEEWOSPL-LZWOXQAQSA-N -1 0 325.474 3.512 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CC1=CCCCC1 ZINC000816111083 1136677589 /nfs/dbraw/zinc/67/75/89/1136677589.db2.gz PMLLEOLCLMWPTD-GOSISDBHSA-N -1 0 335.469 3.720 20 0 EHADRM CCCC[C@@H](C)C(=O)[N-]S(=O)(=O)[C@@H](c1ccccc1)C(C)C ZINC000816110989 1136677631 /nfs/dbraw/zinc/67/76/31/1136677631.db2.gz MXBSBWVHVWGZFX-GDBMZVCRSA-N -1 0 325.474 3.656 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H]1CCC(C)(C)C1 ZINC000816112381 1136677865 /nfs/dbraw/zinc/67/78/65/1136677865.db2.gz STRHMRAFWAMOOZ-CVEARBPZSA-N -1 0 337.485 3.656 20 0 EHADRM O=C(N[C@H]1CCCc2occc21)c1cccc(C(F)(F)F)c1[O-] ZINC001135402464 1136681952 /nfs/dbraw/zinc/68/19/52/1136681952.db2.gz GODSTYKSEZXMJT-LBPRGKRZSA-N -1 0 325.286 3.811 20 0 EHADRM O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc2oc(=O)nc-2[n-]1 ZINC000816830330 1136758551 /nfs/dbraw/zinc/75/85/51/1136758551.db2.gz AXVKUWIBPMCWJE-UHFFFAOYSA-N -1 0 346.346 3.924 20 0 EHADRM COc1ccc(F)cc1[C@@H](C)NC(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000816890045 1136761311 /nfs/dbraw/zinc/76/13/11/1136761311.db2.gz WCGNKLIFKWHKFH-SECBINFHSA-N -1 0 346.383 3.755 20 0 EHADRM CCc1nc([C@H](C)NC(=O)c2ccc3oc(=S)[n-]c3c2)cs1 ZINC000816923435 1136763729 /nfs/dbraw/zinc/76/37/29/1136763729.db2.gz ICRCABIBUGJCGB-QMMMGPOBSA-N -1 0 333.438 3.626 20 0 EHADRM CC1(C)Cc2c(cccc2Br)[C@H]1[N-]C(=O)C(F)(F)F ZINC000817018639 1136770949 /nfs/dbraw/zinc/77/09/49/1136770949.db2.gz PCGCOPHTFLHKEA-SNVBAGLBSA-N -1 0 336.151 3.751 20 0 EHADRM O=C(NCCC1SCCS1)c1cc2sccc2c(O)c1 ZINC000856219660 1136765966 /nfs/dbraw/zinc/76/59/66/1136765966.db2.gz XHIPPEQMHRSOOO-UHFFFAOYSA-N -1 0 325.480 3.533 20 0 EHADRM CN(C[C@@H]1CCc2ccccc21)C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000856305140 1136774420 /nfs/dbraw/zinc/77/44/20/1136774420.db2.gz MUTYJNNTFBWLLV-AWEZNQCLSA-N -1 0 338.432 3.919 20 0 EHADRM C[C@H](O[C@@H](C)C(=O)Nc1ccc(SC(C)(C)C)c(F)c1)C(=O)[O-] ZINC000817571505 1136821010 /nfs/dbraw/zinc/82/10/10/1136821010.db2.gz GJXRWSMVEZSLOP-UWVGGRQHSA-N -1 0 343.420 3.533 20 0 EHADRM C/C(=C/C(=O)N1CCC([C@H](CC(=O)[O-])c2ccccc2)CC1)C1CC1 ZINC000856929840 1136825145 /nfs/dbraw/zinc/82/51/45/1136825145.db2.gz YWFOKHQAPOMGQB-RXHHAWBHSA-N -1 0 341.451 3.840 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000817630480 1136828369 /nfs/dbraw/zinc/82/83/69/1136828369.db2.gz BVKFHSZBGJKWCR-VIFPVBQESA-N -1 0 344.358 3.921 20 0 EHADRM O=C(Nc1ncccc1OC(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000857446380 1136871686 /nfs/dbraw/zinc/87/16/86/1136871686.db2.gz OTLOKZMJYWLDDT-UHFFFAOYSA-N -1 0 348.227 3.660 20 0 EHADRM CCCN(Cc1ccc(F)cc1F)C(=O)c1s[n-]c(=O)c1Cl ZINC001136175513 1136896545 /nfs/dbraw/zinc/89/65/45/1136896545.db2.gz JJDGLBOKQMVVIW-UHFFFAOYSA-N -1 0 346.786 3.833 20 0 EHADRM Clc1ccc(-c2ccc(C[NH2+]C3(c4nnn[n-]4)CCCC3)o2)cc1 ZINC000543710877 1136939277 /nfs/dbraw/zinc/93/92/77/1136939277.db2.gz WTUZFXNBXMSUSL-UHFFFAOYSA-N -1 0 343.818 3.672 20 0 EHADRM CSC[C@@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000820370499 1136991194 /nfs/dbraw/zinc/99/11/94/1136991194.db2.gz XNPHSASIANAKAN-SECBINFHSA-N -1 0 334.268 3.914 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC000116591191 1137005563 /nfs/dbraw/zinc/00/55/63/1137005563.db2.gz DSOORZLMMKSHFM-CJTWTEFWSA-N -1 0 343.448 3.606 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@H](C)c2ccccc2C)c(C)c1 ZINC000116591004 1137005677 /nfs/dbraw/zinc/00/56/77/1137005677.db2.gz DTZTXYSPCGEISH-HNNXBMFYSA-N -1 0 345.464 3.611 20 0 EHADRM Cc1[nH]nc(C(=O)N(Cc2ccccc2)[C@H](C)c2cccs2)c1[O-] ZINC001136444367 1137026576 /nfs/dbraw/zinc/02/65/76/1137026576.db2.gz JQCVAEPRBQUCBM-CYBMUJFWSA-N -1 0 341.436 3.889 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1c(Cl)cccc1Cl ZINC000013448760 1137085698 /nfs/dbraw/zinc/08/56/98/1137085698.db2.gz XAPFMGOZAZCGKH-UHFFFAOYSA-N -1 0 336.174 3.895 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000013448964 1137085824 /nfs/dbraw/zinc/08/58/24/1137085824.db2.gz DCXSQHODEAJKKX-UHFFFAOYSA-N -1 0 349.308 3.535 20 0 EHADRM CC(C)COc1ccc(CCNC(=O)c2cc(F)cc(F)c2[O-])cc1 ZINC001136701073 1137094851 /nfs/dbraw/zinc/09/48/51/1137094851.db2.gz NOYDBVRQUSFQSP-UHFFFAOYSA-N -1 0 349.377 3.678 20 0 EHADRM CC(C)(C)c1ccc(/C=C\C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])cc1 ZINC000823339476 1137095682 /nfs/dbraw/zinc/09/56/82/1137095682.db2.gz QTEOUCRIBFFEIW-XURPKSDJSA-N -1 0 343.345 3.519 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H]2CCc3cc(OC)ccc32)c1 ZINC000861789138 1137120848 /nfs/dbraw/zinc/12/08/48/1137120848.db2.gz CZBNBSNPUUKFPS-INIZCTEOSA-N -1 0 339.391 3.662 20 0 EHADRM C[C@H]1CC(NC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])C[C@H](C)C1 ZINC001136870516 1137135515 /nfs/dbraw/zinc/13/55/15/1137135515.db2.gz FGDDHUFHROOEFM-VXGBXAGGSA-N -1 0 347.846 3.786 20 0 EHADRM CCC(F)(F)C(C)(C)CNC(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000862943998 1137164683 /nfs/dbraw/zinc/16/46/83/1137164683.db2.gz BQZVPDCVFUMMQX-UHFFFAOYSA-N -1 0 328.384 3.918 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863242115 1137177012 /nfs/dbraw/zinc/17/70/12/1137177012.db2.gz WNDDLTKSNMQKHW-SOUVJXGZSA-N -1 0 329.346 3.546 20 0 EHADRM CC(C)c1ccsc1C(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000844157017 1137200024 /nfs/dbraw/zinc/20/00/24/1137200024.db2.gz NLGCEVHSPXJYSN-LJQANCHMSA-N -1 0 343.448 3.740 20 0 EHADRM Nc1c(Cl)cc(NC(=O)CC2CCC(C(=O)[O-])CC2)cc1Cl ZINC000844157487 1137202493 /nfs/dbraw/zinc/20/24/93/1137202493.db2.gz ZMDCNBXIGXFLNL-UHFFFAOYSA-N -1 0 345.226 3.795 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)NCC[C@@]1(C)C[C@]1(F)Cl)C1CCCCC1 ZINC000844267877 1137207571 /nfs/dbraw/zinc/20/75/71/1137207571.db2.gz LJTZDVQNLKCFQX-GVDBMIGSSA-N -1 0 347.858 3.869 20 0 EHADRM CCN(C(=O)/C=C/c1cc(C(=O)[O-])co1)[C@H](C)c1cccc(OC)c1 ZINC000864104263 1137215264 /nfs/dbraw/zinc/21/52/64/1137215264.db2.gz ASDGCFPDGQTXJD-MMQHEFTJSA-N -1 0 343.379 3.609 20 0 EHADRM COc1ccccc1-c1ccc(C(=O)N([C@@H](C)C(=O)[O-])C2CC2)s1 ZINC000864116243 1137215791 /nfs/dbraw/zinc/21/57/91/1137215791.db2.gz OGXARXPIFZWDPE-NSHDSACASA-N -1 0 345.420 3.501 20 0 EHADRM CN(C(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000864116726 1137215971 /nfs/dbraw/zinc/21/59/71/1137215971.db2.gz IACQMODGRZKEPQ-RCCFBDPRSA-N -1 0 341.382 3.604 20 0 EHADRM C[C@@H](CCc1ccc(F)cc1)C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000864117447 1137216022 /nfs/dbraw/zinc/21/60/22/1137216022.db2.gz OHGGITDDHQRZHQ-KSSFIOAISA-N -1 0 343.398 3.679 20 0 EHADRM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000864119970 1137216065 /nfs/dbraw/zinc/21/60/65/1137216065.db2.gz RDZKRYHOIWYDCD-MSQAHXEGSA-N -1 0 339.391 3.534 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)Cc1coc2c1ccc(Cl)c2Cl ZINC000864130573 1137216480 /nfs/dbraw/zinc/21/64/80/1137216480.db2.gz KKJQZZGLZQXTGU-QMMMGPOBSA-N -1 0 344.194 3.652 20 0 EHADRM C[C@@H]1CCN(C(=O)/C=C\c2cc(C(=O)[O-])co2)[C@@H]1c1cccc(F)c1 ZINC000864130341 1137216545 /nfs/dbraw/zinc/21/65/45/1137216545.db2.gz UTTNTUSAUFFYHU-SQLGAGMBSA-N -1 0 343.354 3.740 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000864132329 1137216775 /nfs/dbraw/zinc/21/67/75/1137216775.db2.gz PRGGMVLKYUNCPM-CQSZACIVSA-N -1 0 344.238 3.782 20 0 EHADRM Cc1ccc(F)c2[nH]c(C(=O)NCCCCCCCC(=O)[O-])cc21 ZINC000864131992 1137216806 /nfs/dbraw/zinc/21/68/06/1137216806.db2.gz HGKSBYCAWSWOFB-UHFFFAOYSA-N -1 0 334.391 3.770 20 0 EHADRM CC(C)(CC(=O)NCc1ccc(C(=O)[O-])s1)c1ccc(F)cc1 ZINC000864148946 1137217131 /nfs/dbraw/zinc/21/71/31/1137217131.db2.gz GLYKIRDXQWFTIP-UHFFFAOYSA-N -1 0 335.400 3.570 20 0 EHADRM C[C@@H](CCc1ccc(F)cc1)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000864149323 1137217153 /nfs/dbraw/zinc/21/71/53/1137217153.db2.gz KKKPRWSGGFURPA-LBPRGKRZSA-N -1 0 347.361 3.799 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC000864147798 1137217221 /nfs/dbraw/zinc/21/72/21/1137217221.db2.gz QBJOKAJIROEUOA-KDOFPFPSSA-N -1 0 339.391 3.723 20 0 EHADRM Cc1ncc(C(=O)[O-])cc1C(=O)N1CCC(C2CCCCC2)CC1 ZINC000864151879 1137217359 /nfs/dbraw/zinc/21/73/59/1137217359.db2.gz VRKMZSQUOGMQAG-UHFFFAOYSA-N -1 0 330.428 3.521 20 0 EHADRM O=C([O-])[C@@H]1CCCCCN1C(=O)/C=C/c1csc(C(F)(F)F)c1 ZINC000864158469 1137217651 /nfs/dbraw/zinc/21/76/51/1137217651.db2.gz MFBAVWLLNYBZFU-QRGHLMKCSA-N -1 0 347.358 3.636 20 0 EHADRM Cc1ccc(C(C)(C)CNC(=O)c2ccc(/C=C/C(=O)[O-])o2)c(C)c1 ZINC000864177069 1137217941 /nfs/dbraw/zinc/21/79/41/1137217941.db2.gz DZQFYKRBHHEGCO-JXMROGBWSA-N -1 0 341.407 3.702 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@@](C)(c3ccc(F)cc3)C2)cc1C(=O)[O-] ZINC000864180231 1137218220 /nfs/dbraw/zinc/21/82/20/1137218220.db2.gz NMBQVGHYTXUEFO-HXUWFJFHSA-N -1 0 341.382 3.636 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)NCc2cc(C(=O)[O-])co2)cc1 ZINC000864191237 1137218592 /nfs/dbraw/zinc/21/85/92/1137218592.db2.gz CTJLKADXJFEOLM-ARJAWSKDSA-N -1 0 327.380 3.821 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)CCSc1ccc(Cl)cc1)C1CC1 ZINC000864197679 1137218713 /nfs/dbraw/zinc/21/87/13/1137218713.db2.gz JECNGKMNQKIIED-MRXNPFEDSA-N -1 0 341.860 3.582 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@](F)(c3ccccc3)C2)c(F)c1 ZINC000864202897 1137218948 /nfs/dbraw/zinc/21/89/48/1137218948.db2.gz XHNXJJDHSHXRNU-IBGZPJMESA-N -1 0 345.345 3.625 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N[C@@H]2C[C@H]3C[C@@]3(C(=O)[O-])C2)cc1 ZINC000864210456 1137219080 /nfs/dbraw/zinc/21/90/80/1137219080.db2.gz VUZNLWWBOJFMKJ-IULIOSHDSA-N -1 0 329.440 3.673 20 0 EHADRM Cc1ccccc1C[C@H](C)C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000864227615 1137219385 /nfs/dbraw/zinc/21/93/85/1137219385.db2.gz GPCOHWCHLXGXAI-RDJZCZTQSA-N -1 0 337.419 3.779 20 0 EHADRM CC(C)(C)c1csc(CN[C@]2(C(=O)[O-])CCc3c2cccc3F)n1 ZINC000864511148 1137231056 /nfs/dbraw/zinc/23/10/56/1137231056.db2.gz PWQTVZWFFMATDT-GOSISDBHSA-N -1 0 348.443 3.596 20 0 EHADRM C[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)NCC(C)(C)C(C)(F)F ZINC000864546531 1137234222 /nfs/dbraw/zinc/23/42/22/1137234222.db2.gz LOJPMNRNYZPQHJ-LBPRGKRZSA-N -1 0 342.386 3.525 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1C(=O)Nc1cccc(SC(F)(F)F)c1 ZINC000864584854 1137235670 /nfs/dbraw/zinc/23/56/70/1137235670.db2.gz YVAMPXLZVCQWTD-NSHDSACASA-N -1 0 348.346 3.770 20 0 EHADRM COc1ccc(C2CC2)c(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)c1 ZINC000864609276 1137236361 /nfs/dbraw/zinc/23/63/61/1137236361.db2.gz ZBESBWSQUOJZTI-ZDUSSCGKSA-N -1 0 348.443 3.831 20 0 EHADRM Cc1c(Cl)cc(NC(=O)Cc2ccccc2O)c([O-])c1Cl ZINC001144261308 1137261106 /nfs/dbraw/zinc/26/11/06/1137261106.db2.gz BFVQYWISQFCZRD-UHFFFAOYSA-N -1 0 326.179 3.894 20 0 EHADRM COC(=O)CCSc1cc(Cl)ccc1[N-]C(=S)NC(C)C ZINC000865242834 1137270857 /nfs/dbraw/zinc/27/08/57/1137270857.db2.gz DQOHUHKWXHGPMX-UHFFFAOYSA-N -1 0 346.905 3.690 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000120672380 1137300789 /nfs/dbraw/zinc/30/07/89/1137300789.db2.gz RBDIQRZJIOUYCZ-ASJRZHAZSA-N -1 0 327.355 3.741 20 0 EHADRM CCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)oc1ccccc12 ZINC000845825558 1137313070 /nfs/dbraw/zinc/31/30/70/1137313070.db2.gz LHQMQEVUVYQJNI-GFCCVEGCSA-N -1 0 345.420 3.827 20 0 EHADRM C[C@H](N(C)C(=O)c1cc(Br)cc(F)c1[O-])C1(C)CC1 ZINC000866438081 1137355085 /nfs/dbraw/zinc/35/50/85/1137355085.db2.gz BAOLJIQREPJLJE-QMMMGPOBSA-N -1 0 330.197 3.554 20 0 EHADRM O=C([O-])/C=C\c1cnc(/C=C/c2ccnn2-c2ccc(F)cc2)s1 ZINC000794941227 1137373418 /nfs/dbraw/zinc/37/34/18/1137373418.db2.gz KYIWUJGMAVKUHR-YMBWGVAGSA-N -1 0 341.367 3.736 20 0 EHADRM O=S(=O)([N-][C@@H]1CC=CC[C@H]1C(F)(F)F)c1cc2ccccc2o1 ZINC000867847959 1137387903 /nfs/dbraw/zinc/38/79/03/1137387903.db2.gz KAZKJJKXTUGMMD-VXGBXAGGSA-N -1 0 345.342 3.608 20 0 EHADRM Cc1n[nH]c(C(=O)N[C@H](c2oc3ccccc3c2C)C(C)C)c1[O-] ZINC001146448064 1137390412 /nfs/dbraw/zinc/39/04/12/1137390412.db2.gz NAGCXZZBPLOASI-AWEZNQCLSA-N -1 0 327.384 3.605 20 0 EHADRM Cc1nc(CCC(=O)NOc2ccc(F)cc2)oc1-c1ccccc1 ZINC001146550824 1137391610 /nfs/dbraw/zinc/39/16/10/1137391610.db2.gz LAIQSACFILPAFT-UHFFFAOYSA-N -1 0 340.354 3.832 20 0 EHADRM C[C@@H]1CCC[C@H](C)CN1C(=O)c1cc(Br)c(F)cc1[O-] ZINC001147051575 1137399119 /nfs/dbraw/zinc/39/91/19/1137399119.db2.gz QAXMPJQSNRCORH-VHSXEESVSA-N -1 0 344.224 3.945 20 0 EHADRM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CC(Oc2ccccc2)C1 ZINC001148806704 1137435550 /nfs/dbraw/zinc/43/55/50/1137435550.db2.gz BEELIEBNKXNFFE-UHFFFAOYSA-N -1 0 338.190 3.602 20 0 EHADRM CCc1oc(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1C(=O)[O-] ZINC000339087790 1137436439 /nfs/dbraw/zinc/43/64/39/1137436439.db2.gz JMKFFAWJAZOVCR-JTQLQIEISA-N -1 0 327.336 3.777 20 0 EHADRM CCc1oc(C(=O)N(CC)[C@H](C)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000339088565 1137437139 /nfs/dbraw/zinc/43/71/39/1137437139.db2.gz FTGABIVTCYCYLE-LLVKDONJSA-N -1 0 333.359 3.903 20 0 EHADRM O=C(Nc1ccn(C2CCSCC2)n1)c1cccc(Cl)c1[O-] ZINC000869941552 1137472864 /nfs/dbraw/zinc/47/28/64/1137472864.db2.gz TYDJIHSAQQYLPI-UHFFFAOYSA-N -1 0 337.832 3.563 20 0 EHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCC[C@H](OC2CCC2)CC1 ZINC000871325620 1137536238 /nfs/dbraw/zinc/53/62/38/1137536238.db2.gz ARNHAGZHYBJYRW-AWEZNQCLSA-N -1 0 346.452 3.680 20 0 EHADRM O=c1nc(CSC[C@@H]2OCCc3ccccc32)[n-]c2ccsc21 ZINC000871695380 1137554088 /nfs/dbraw/zinc/55/40/88/1137554088.db2.gz AMMKRLYFMFBICK-AWEZNQCLSA-N -1 0 344.461 3.944 20 0 EHADRM CC(C)[C@H]1CCc2[n-]n(-c3cccc(Br)n3)c(=O)c2C1 ZINC000871951183 1137563649 /nfs/dbraw/zinc/56/36/49/1137563649.db2.gz LBBPAGJYZYZJBV-QWRGUYRKSA-N -1 0 336.233 3.619 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2nc(C)c(C)o2)cc1C(C)C ZINC000872003725 1137564233 /nfs/dbraw/zinc/56/42/33/1137564233.db2.gz ZNZSYSMNXVIJMJ-UHFFFAOYSA-N -1 0 338.429 3.614 20 0 EHADRM CCc1cc(Cl)cnc1[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000872006522 1137564326 /nfs/dbraw/zinc/56/43/26/1137564326.db2.gz ZZMKASCTCKCDIT-UHFFFAOYSA-N -1 0 336.747 3.629 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cnc3ccccc3c2)noc1C(C)(C)C ZINC000872007205 1137564337 /nfs/dbraw/zinc/56/43/37/1137564337.db2.gz KSIINNWPJBDZHL-UHFFFAOYSA-N -1 0 345.424 3.630 20 0 EHADRM Cc1nc(C2CCN(Cc3ncc(C(C)C)o3)CC2)sc1C(=O)[O-] ZINC000872165273 1137574805 /nfs/dbraw/zinc/57/48/05/1137574805.db2.gz PWJYSAABJBGVQT-UHFFFAOYSA-N -1 0 349.456 3.641 20 0 EHADRM Cc1cccc2c1N(C(=O)c1cnc3c(Cl)cccc3c1O)CC2 ZINC001137058234 1137578666 /nfs/dbraw/zinc/57/86/66/1137578666.db2.gz IONPYBIRVPGRDR-UHFFFAOYSA-N -1 0 338.794 3.693 20 0 EHADRM CCC(C)(C)CCS(=O)(=O)[N-]c1ccn(C2CCSCC2)n1 ZINC000872382952 1137579088 /nfs/dbraw/zinc/57/90/88/1137579088.db2.gz IJSAYPJPNJJPFI-UHFFFAOYSA-N -1 0 345.534 3.519 20 0 EHADRM CCC[C@H](CC)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000872712754 1137583070 /nfs/dbraw/zinc/58/30/70/1137583070.db2.gz ZZYBYUXNCLIEGW-LBPRGKRZSA-N -1 0 328.412 3.577 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1sccc1C(F)F ZINC000872715615 1137583130 /nfs/dbraw/zinc/58/31/30/1137583130.db2.gz NANIPPNPZSPCHC-LBPRGKRZSA-N -1 0 339.363 3.940 20 0 EHADRM O=C([O-])[C@]12CCC[C@H]1N(C(=O)[C@H]1C[C@@H]1c1cccc3ccccc31)CC2 ZINC000872767146 1137584158 /nfs/dbraw/zinc/58/41/58/1137584158.db2.gz MSOPEWNSSHWFEI-MOXWOTFGSA-N -1 0 349.430 3.799 20 0 EHADRM CN(C(=O)C[C@@]1(C(=O)[O-])CCSC1)c1ccc(C(C)(C)C)cc1 ZINC000872909285 1137586348 /nfs/dbraw/zinc/58/63/48/1137586348.db2.gz IXCSWTANMGGNTL-SFHVURJKSA-N -1 0 335.469 3.545 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000872917667 1137586598 /nfs/dbraw/zinc/58/65/98/1137586598.db2.gz JOPRZBDEYVVZNM-CYBMUJFWSA-N -1 0 341.860 3.600 20 0 EHADRM CC[C@](C)(CC(=O)[O-])C(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1 ZINC000872920221 1137586619 /nfs/dbraw/zinc/58/66/19/1137586619.db2.gz UDCSEQIOAVGVSC-GOSISDBHSA-N -1 0 329.400 3.660 20 0 EHADRM Cc1c(CN(C)C(=O)C(C)(C)SCC(=O)[O-])oc2c1cccc2C ZINC000872980024 1137587401 /nfs/dbraw/zinc/58/74/01/1137587401.db2.gz OFJDUTMEIGBSRL-UHFFFAOYSA-N -1 0 349.452 3.604 20 0 EHADRM O=C([O-])[C@H](CC(=O)N[C@H]1CCc2ccc(Cl)cc21)c1ccccc1 ZINC000872993707 1137587646 /nfs/dbraw/zinc/58/76/46/1137587646.db2.gz FBQVDIBFCPYRGW-SJORKVTESA-N -1 0 343.810 3.702 20 0 EHADRM O=C([O-])[C@H](CC(=O)Nc1ccc(C2CC2)cc1F)c1ccccc1 ZINC000872998525 1137587722 /nfs/dbraw/zinc/58/77/22/1137587722.db2.gz MEWCIMCOBIVEFX-OAHLLOKOSA-N -1 0 327.355 3.900 20 0 EHADRM CCC(C)(C)CCS(=O)(=O)[N-]C(=O)c1sccc1C(F)F ZINC000873552798 1137602331 /nfs/dbraw/zinc/60/23/31/1137602331.db2.gz FMDOBZOGWSFXIY-UHFFFAOYSA-N -1 0 339.429 3.572 20 0 EHADRM CC(C)N(Cc1ccc(F)cc1)C(=O)NCc1ccccc1C(=O)[O-] ZINC000874410141 1137613783 /nfs/dbraw/zinc/61/37/83/1137613783.db2.gz KUDLWUNUWKJIGD-UHFFFAOYSA-N -1 0 344.386 3.644 20 0 EHADRM O=C([N-]Oc1ccccc1F)C1(c2cccc(Cl)c2)CCOCC1 ZINC000874912949 1137626028 /nfs/dbraw/zinc/62/60/28/1137626028.db2.gz XSQCEIMJORIYMX-UHFFFAOYSA-N -1 0 349.789 3.638 20 0 EHADRM O=Cc1cc(C(=O)[O-])cc(-c2ccc(OC[C@H]3CCCCO3)cc2)c1 ZINC000874969672 1137627237 /nfs/dbraw/zinc/62/72/37/1137627237.db2.gz QRYZWLQPRDLLNF-LJQANCHMSA-N -1 0 340.375 3.812 20 0 EHADRM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000825777879 1137630842 /nfs/dbraw/zinc/63/08/42/1137630842.db2.gz DFPGDBIKWVSFIA-IUODEOHRSA-N -1 0 342.370 3.934 20 0 EHADRM CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000126432947 1137673265 /nfs/dbraw/zinc/67/32/65/1137673265.db2.gz RTRPPUCOJZOPCM-UHFFFAOYSA-N -1 0 345.754 3.622 20 0 EHADRM O=C1N[C@H](c2cc(Cl)c([O-])cc2Cl)Nc2cc(F)c(F)cc21 ZINC000877858293 1137693814 /nfs/dbraw/zinc/69/38/14/1137693814.db2.gz IRYSUYCWYHKONF-CYBMUJFWSA-N -1 0 345.132 3.831 20 0 EHADRM O=C(NO[C@@H]1CCCCO1)Nc1ncc(-c2ccccc2F)s1 ZINC000888769145 1137743525 /nfs/dbraw/zinc/74/35/25/1137743525.db2.gz NHKORRSYIZLBOV-CYBMUJFWSA-N -1 0 337.376 3.529 20 0 EHADRM O=S(=O)(CC(F)(F)F)[N-]c1cc(Cl)c(F)c(Cl)c1F ZINC001253188830 1137816010 /nfs/dbraw/zinc/81/60/10/1137816010.db2.gz JCDLFJCKBZOGCW-UHFFFAOYSA-N -1 0 344.088 3.576 20 0 EHADRM O=S(=O)([N-]c1ncsc1C1CC1)c1cccc(C(F)F)c1 ZINC000882772519 1137833857 /nfs/dbraw/zinc/83/38/57/1137833857.db2.gz YYHXCXVPFJCZHE-UHFFFAOYSA-N -1 0 330.381 3.759 20 0 EHADRM O=C(Nc1ccc(OCc2ccccc2)nc1)c1cccc(O)c1F ZINC001626125138 1137878268 /nfs/dbraw/zinc/87/82/68/1137878268.db2.gz VVMSXGGYGYGMJW-UHFFFAOYSA-N -1 0 338.338 3.758 20 0 EHADRM Cc1cccc(S([O-])=CC(=O)N(Cc2ccccc2)C(C)C)c1 ZINC000108103036 1137888694 /nfs/dbraw/zinc/88/86/94/1137888694.db2.gz OZHDMFLADCZGQP-QHCPKHFHSA-N -1 0 329.465 3.540 20 0 EHADRM CCC(C)(CC)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000133590390 1137900718 /nfs/dbraw/zinc/90/07/18/1137900718.db2.gz PNWIWVPTMYNXKI-UHFFFAOYSA-N -1 0 338.256 3.625 20 0 EHADRM CC[C@H]1CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])C[C@H]1O ZINC000331493918 1137910375 /nfs/dbraw/zinc/91/03/75/1137910375.db2.gz BDSLGGPESWLDLO-YVEFUNNKSA-N -1 0 345.826 3.556 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)N=c2nc(C(C)(C)C)[n-]s2)c1 ZINC000331571196 1137913016 /nfs/dbraw/zinc/91/30/16/1137913016.db2.gz QWPUJBIQJUDUDP-AWEZNQCLSA-N -1 0 344.484 3.935 20 0 EHADRM C[C@H](C1CCCCC1)N(C)C(=O)N=c1ncn(C2CCCCC2)[n-]1 ZINC000331710305 1137917894 /nfs/dbraw/zinc/91/78/94/1137917894.db2.gz YFOAHDNBYMFSOS-CQSZACIVSA-N -1 0 333.480 3.638 20 0 EHADRM C[C@@H]1C[C@H](C)N(C(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)C1 ZINC000332141041 1137933285 /nfs/dbraw/zinc/93/32/85/1137933285.db2.gz FBVDVYTWXWNMNS-ZJUUUORDSA-N -1 0 336.848 3.543 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000332148572 1137933448 /nfs/dbraw/zinc/93/34/48/1137933448.db2.gz PNKYRNGJFOHBOT-JSGCOSHPSA-N -1 0 344.484 3.667 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2s[n-]c(=O)c2Cl)C1 ZINC000282935857 1137999247 /nfs/dbraw/zinc/99/92/47/1137999247.db2.gz DCVYBBFROCUEJD-WDEREUQCSA-N -1 0 336.844 3.829 20 0 EHADRM C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1ccc([O-])c(Cl)c1 ZINC000067177886 1138080075 /nfs/dbraw/zinc/08/00/75/1138080075.db2.gz DNAYCRCJPWBRKM-SJCJKPOMSA-N -1 0 331.799 3.648 20 0 EHADRM Cc1ccc(NC(=O)N(C)C2CCCC2)c(SCCC(=O)[O-])c1 ZINC000282963706 1138099897 /nfs/dbraw/zinc/09/98/97/1138099897.db2.gz KPBWRGKODPWWEB-UHFFFAOYSA-N -1 0 336.457 3.968 20 0 EHADRM COc1cc(C)ccc1[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000348417735 1138287326 /nfs/dbraw/zinc/28/73/26/1138287326.db2.gz DRRHJJMIPDVSSR-UHFFFAOYSA-N -1 0 349.383 3.998 20 0 EHADRM COc1ccc(C)cc1[C@H](C)[NH2+]Cc1nc(=O)c2sccc2[n-]1 ZINC000263847610 1138379940 /nfs/dbraw/zinc/37/99/40/1138379940.db2.gz NVOVYNPTOXBZDQ-NSHDSACASA-N -1 0 329.425 3.565 20 0 EHADRM CCCc1[nH]ncc1-c1nc(-c2ccc3[n-]c(=S)sc3c2)no1 ZINC001212821366 1138422880 /nfs/dbraw/zinc/42/28/80/1138422880.db2.gz YAYUWBWUALOKOQ-UHFFFAOYSA-N -1 0 343.437 3.978 20 0 EHADRM O=c1nc(CN2CC[C@@H](c3cccc(F)c3)C2)[n-]c2ccsc21 ZINC000264208298 1138443693 /nfs/dbraw/zinc/44/36/93/1138443693.db2.gz RUBUIUAZWIYCSK-GFCCVEGCSA-N -1 0 329.400 3.526 20 0 EHADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccc(F)c(C2CC2)c1 ZINC000337163084 1138483009 /nfs/dbraw/zinc/48/30/09/1138483009.db2.gz WESRXSDDKSUCMA-UHFFFAOYSA-N -1 0 349.383 3.511 20 0 EHADRM Cc1cnc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)s1 ZINC000337738314 1138656307 /nfs/dbraw/zinc/65/63/07/1138656307.db2.gz ABLIKKINCAFINK-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cccc(SC)c2)cc1C ZINC000337867971 1138685772 /nfs/dbraw/zinc/68/57/72/1138685772.db2.gz PDRZMDRXGPUCTQ-LLVKDONJSA-N -1 0 339.486 3.685 20 0 EHADRM CO[C@H](C)c1nc(=N[C@H](C)[C@H](OC)c2ccccc2Cl)s[n-]1 ZINC000337876160 1138688886 /nfs/dbraw/zinc/68/88/86/1138688886.db2.gz QPKJKKJMTIMULP-BREBYQMCSA-N -1 0 341.864 3.509 20 0 EHADRM CO[C@@H](C)c1nc(=NCc2sc(-c3ccccc3)nc2C)s[n-]1 ZINC000337919526 1138698511 /nfs/dbraw/zinc/69/85/11/1138698511.db2.gz XENQZRJFBUYGCU-NSHDSACASA-N -1 0 346.481 3.711 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)N3CC[C@@H]3C3CCCC3)c([O-])c2)o1 ZINC000889416227 1139205137 /nfs/dbraw/zinc/20/51/37/1139205137.db2.gz REISKMAWGBDMRG-QGZVFWFLSA-N -1 0 339.391 3.869 20 0 EHADRM O=S(=O)([N-]c1ccc(Sc2ccncc2)cc1)c1ccoc1 ZINC000350827731 1139212604 /nfs/dbraw/zinc/21/26/04/1139212604.db2.gz FLBFNOLTTVTAFX-UHFFFAOYSA-N -1 0 332.406 3.627 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2C)cn1 ZINC000350828509 1139371096 /nfs/dbraw/zinc/37/10/96/1139371096.db2.gz HAOLFISWJXETAF-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM COc1ccc([C@H](C)CCNC(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000180066031 1139806690 /nfs/dbraw/zinc/80/66/90/1139806690.db2.gz TWGNMKIVNXOTTO-LLVKDONJSA-N -1 0 335.350 3.603 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)C2CCC(C)(C)CC2)c1Cl ZINC000777354865 1139810908 /nfs/dbraw/zinc/81/09/08/1139810908.db2.gz RSFGCQWQCLTOIG-UHFFFAOYSA-N -1 0 343.876 3.670 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCSC2(CCCCC2)C1 ZINC000180135055 1139811324 /nfs/dbraw/zinc/81/13/24/1139811324.db2.gz GOIWDEITYKESSY-UHFFFAOYSA-N -1 0 327.396 3.562 20 0 EHADRM C[C@H]1SCCN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)[C@H]1c1ccccc1 ZINC000180126908 1139811357 /nfs/dbraw/zinc/81/13/57/1139811357.db2.gz CRVWMXFWZAQGRO-MXASKKJJSA-N -1 0 347.480 3.583 20 0 EHADRM C[C@H](CNC(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)CC(=O)[O-] ZINC000777399010 1140050780 /nfs/dbraw/zinc/05/07/80/1140050780.db2.gz GWHWLFKCESTMLD-ANTNXHBISA-N -1 0 349.736 3.599 20 0 EHADRM O=C(NCCCOC1CCCCC1)c1cc(F)c([O-])c(Cl)c1 ZINC000184196233 1140086925 /nfs/dbraw/zinc/08/69/25/1140086925.db2.gz NSBITIBFDWJRJS-UHFFFAOYSA-N -1 0 329.799 3.654 20 0 EHADRM O=C(NC1CCN(c2ccccc2)CC1)c1cc(F)c([O-])c(Cl)c1 ZINC000184307787 1140094237 /nfs/dbraw/zinc/09/42/37/1140094237.db2.gz JABCYWAUEIQYJK-UHFFFAOYSA-N -1 0 348.805 3.584 20 0 EHADRM O=S(=O)([N-]c1nc(C2CC2)cs1)C1=Cc2ccccc2OCC1 ZINC000186396127 1140202148 /nfs/dbraw/zinc/20/21/48/1140202148.db2.gz YLDROTFGTARWDJ-UHFFFAOYSA-N -1 0 348.449 3.586 20 0 EHADRM C[C@H](NC(=O)CC(C)(C)C)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000187451751 1140256256 /nfs/dbraw/zinc/25/62/56/1140256256.db2.gz RAWNCJPHYNIKSO-QMMMGPOBSA-N -1 0 347.242 3.578 20 0 EHADRM CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000266804441 1140724635 /nfs/dbraw/zinc/72/46/35/1140724635.db2.gz BIWIPAJOHTVQDD-QAPCUYQASA-N -1 0 341.455 3.515 20 0 EHADRM COCCCCC(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000270652435 1141251113 /nfs/dbraw/zinc/25/11/13/1141251113.db2.gz MIKAIQIFYAOKHR-UHFFFAOYSA-N -1 0 336.613 3.563 20 0 EHADRM CC(C)[C@@H]1C[C@@H](NC(=O)c2c([O-])cc(Cl)cc2Cl)CCO1 ZINC000271476390 1141376747 /nfs/dbraw/zinc/37/67/47/1141376747.db2.gz ZOLYXMJZYLGCJZ-GWCFXTLKSA-N -1 0 332.227 3.632 20 0 EHADRM Oc1cccc(CNCc2ccc(-n3ccnc3)c(F)c2)c1Cl ZINC000339203886 1141527215 /nfs/dbraw/zinc/52/72/15/1141527215.db2.gz MFFYJYCUOWKZJS-UHFFFAOYSA-N -1 0 331.778 3.660 20 0 EHADRM C[N@H+](Cc1ccsc1C(=O)[O-])Cc1ccc(Br)cc1 ZINC000104327615 219374098 /nfs/dbraw/zinc/37/40/98/219374098.db2.gz KQTXDFJNCSMVAH-UHFFFAOYSA-N -1 0 340.242 3.841 20 0 EHADRM O=C([O-])c1occc1COc1ccc(Cl)cc1Br ZINC000037329427 213140526 /nfs/dbraw/zinc/14/05/26/213140526.db2.gz RVTOJLQDJKXUJJ-UHFFFAOYSA-N -1 0 331.549 3.973 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1ccc(Br)s1 ZINC000019278533 212009605 /nfs/dbraw/zinc/00/96/05/212009605.db2.gz QMWLXYMGLMSKCM-UHFFFAOYSA-N -1 0 332.200 3.523 20 0 EHADRM C[C@@H](CC1CCCCC1)C(=O)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000187520679 524435991 /nfs/dbraw/zinc/43/59/91/524435991.db2.gz JCSVUYHPWKNGOS-HNNXBMFYSA-N -1 0 347.455 3.715 20 0 EHADRM C[C@H](CC(=O)N(C)Cc1ccc(OCC(=O)[O-])cc1)C1CCCCC1 ZINC000187524995 526221094 /nfs/dbraw/zinc/22/10/94/526221094.db2.gz OOAPETNYUYKPBY-OAHLLOKOSA-N -1 0 347.455 3.715 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)CC(c2ccccc2)c2ccccc2)C1 ZINC000013170422 564133902 /nfs/dbraw/zinc/13/39/02/564133902.db2.gz YNPKEAUNAQBYBB-SFHVURJKSA-N -1 0 337.419 3.532 20 0 EHADRM CCCN(C(=O)CSCC(=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000571570015 597089303 /nfs/dbraw/zinc/08/93/03/597089303.db2.gz OKVWPBNTPQATJF-GFCCVEGCSA-N -1 0 335.425 3.550 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000817832125 597139967 /nfs/dbraw/zinc/13/99/67/597139967.db2.gz KTRSMDGGEICGHW-UHFFFAOYSA-N -1 0 332.322 3.556 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1)C(=O)[O-] ZINC000033549514 597167020 /nfs/dbraw/zinc/16/70/20/597167020.db2.gz AGHRZKTVRDAKCX-JTQLQIEISA-N -1 0 341.392 3.558 20 0 EHADRM C[C@@H](NC(=O)Nc1ccccc1SCc1ccccc1)C(=O)[O-] ZINC000818039969 597169250 /nfs/dbraw/zinc/16/92/50/597169250.db2.gz WGZUSUHKMDICBH-GFCCVEGCSA-N -1 0 330.409 3.574 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1cccc(-c2nccs2)c1 ZINC000417734314 597173438 /nfs/dbraw/zinc/17/34/38/597173438.db2.gz JXQVDTBQHZYRQQ-UHFFFAOYSA-N -1 0 333.413 3.577 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)C(C)C ZINC000738322404 597190548 /nfs/dbraw/zinc/19/05/48/597190548.db2.gz RTJHBJVMCYCURX-QGZVFWFLSA-N -1 0 341.411 3.536 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N(Cc2ccc(F)cc2)C2CC2)c1 ZINC000738623380 597197850 /nfs/dbraw/zinc/19/78/50/597197850.db2.gz DXPVXLJVUWGRAE-UHFFFAOYSA-N -1 0 342.370 3.649 20 0 EHADRM CCC(CC)c1cc(CNC(=O)Nc2cccc(CC(=O)[O-])c2)on1 ZINC000818140505 597198750 /nfs/dbraw/zinc/19/87/50/597198750.db2.gz FANFENTWSUWYQC-UHFFFAOYSA-N -1 0 345.399 3.527 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000324872856 597229336 /nfs/dbraw/zinc/22/93/36/597229336.db2.gz JIJRNZGGMJACRG-LBPRGKRZSA-N -1 0 346.814 3.941 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2cc(C(F)F)ccc2Cl)CCCC1 ZINC000819209294 597265387 /nfs/dbraw/zinc/26/53/87/597265387.db2.gz JFHKPPUIKAXJBN-UHFFFAOYSA-N -1 0 332.734 3.797 20 0 EHADRM CN(C)C(=O)c1cccc(CSCc2ccc(C(=O)[O-])cc2)c1 ZINC000818373780 597282797 /nfs/dbraw/zinc/28/27/97/597282797.db2.gz AHIYWJYKOVVCGX-UHFFFAOYSA-N -1 0 329.421 3.520 20 0 EHADRM O=C([O-])c1ccc(C[S@@](=O)Cc2ccc(F)cc2Cl)cc1 ZINC000819687711 597285386 /nfs/dbraw/zinc/28/53/86/597285386.db2.gz XCLCZDHLMOEZPI-OAQYLSRUSA-N -1 0 326.776 3.626 20 0 EHADRM O=C([O-])c1ccc(C[S@](=O)Cc2coc(-c3cccs3)n2)cc1 ZINC000819691545 597285472 /nfs/dbraw/zinc/28/54/72/597285472.db2.gz OZOBZROPRGTXIB-QHCPKHFHSA-N -1 0 347.417 3.550 20 0 EHADRM C[C@@H](c1ncc(C(C)(C)C)o1)[S@@](=O)Cc1ccc(C(=O)[O-])cc1 ZINC000818075841 597287434 /nfs/dbraw/zinc/28/74/34/597287434.db2.gz OYNNVWFZLCCYRQ-RULNZOCKSA-N -1 0 335.425 3.680 20 0 EHADRM O=C([O-])c1ccc(CSc2nncn2CCc2cccs2)cc1 ZINC000819691353 597298133 /nfs/dbraw/zinc/29/81/33/597298133.db2.gz IVUBPHOZTHFHQI-UHFFFAOYSA-N -1 0 345.449 3.573 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)Nc2ccccc2CC(=O)[O-])c(C)c1 ZINC000818890752 597323621 /nfs/dbraw/zinc/32/36/21/597323621.db2.gz JYSVXVUWGDTAHE-HNNXBMFYSA-N -1 0 340.423 3.683 20 0 EHADRM CN(CCCCc1ccccc1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818469929 597327853 /nfs/dbraw/zinc/32/78/53/597327853.db2.gz MPQQTFBAIMUFOL-UHFFFAOYSA-N -1 0 340.423 3.800 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)NC1(c2ccc(Cl)cc2)CC1 ZINC000819609926 597330174 /nfs/dbraw/zinc/33/01/74/597330174.db2.gz MLRYEPUGLHWYIF-UHFFFAOYSA-N -1 0 344.798 3.778 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N[C@@H]1CCSc2ccccc21 ZINC000819609477 597335667 /nfs/dbraw/zinc/33/56/67/597335667.db2.gz JPFGBWGINNZMHI-OAHLLOKOSA-N -1 0 342.420 3.672 20 0 EHADRM O=C([O-])c1ccc(CN[C@@H](c2ccc(F)cc2)c2ccccn2)cc1 ZINC000821545818 597366732 /nfs/dbraw/zinc/36/67/32/597366732.db2.gz RALFUZXVMBRTOP-IBGZPJMESA-N -1 0 336.366 3.798 20 0 EHADRM CC(C)(C)O[C@H](C(=O)Nc1ccccc1CC(=O)[O-])c1ccccc1 ZINC000819927386 597388171 /nfs/dbraw/zinc/38/81/71/597388171.db2.gz HMJZGAMAJHSCTE-SFHVURJKSA-N -1 0 341.407 3.809 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])cc2)oc1C ZINC000821153365 598172541 /nfs/dbraw/zinc/17/25/41/598172541.db2.gz VJBRKKKBNJFRDL-HNNXBMFYSA-N -1 0 345.399 3.579 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N1CCCCC[C@H]1c1ccncc1 ZINC000821553766 598179320 /nfs/dbraw/zinc/17/93/20/598179320.db2.gz PXIUCVCNCMESAX-KRWDZBQOSA-N -1 0 339.395 3.929 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)CCCc2ccc3ccccc3c2)C1 ZINC000560110830 598184478 /nfs/dbraw/zinc/18/44/78/598184478.db2.gz NDXBHYKGBPKBDA-QGZVFWFLSA-N -1 0 339.435 3.876 20 0 EHADRM Cc1cc(Cl)c(C(C)C)cc1Oc1nccnc1-c1nnn[n-]1 ZINC000737262816 598338092 /nfs/dbraw/zinc/33/80/92/598338092.db2.gz GHVKWCCYZZDHSG-UHFFFAOYSA-N -1 0 330.779 3.534 20 0 EHADRM CC(C)(C)c1ccc(-c2csc(NC(=O)CCNC(=O)[O-])n2)cc1 ZINC000736295125 599706920 /nfs/dbraw/zinc/70/69/20/599706920.db2.gz UKOWTDKTFMZJPL-UHFFFAOYSA-N -1 0 347.440 3.704 20 0 EHADRM Cc1cc(C(=O)OCc2ccc(C(=O)[O-])o2)cc(C)c1OC(F)F ZINC000738352809 599720339 /nfs/dbraw/zinc/72/03/39/599720339.db2.gz SSGKQEZBRAHSGU-UHFFFAOYSA-N -1 0 340.278 3.553 20 0 EHADRM CN(CCCC(=O)Oc1ccc2oc3c(c2c1)CCCC3)C(=O)[O-] ZINC000737438435 599726662 /nfs/dbraw/zinc/72/66/62/599726662.db2.gz QEWHWSUALXJSFM-UHFFFAOYSA-N -1 0 331.368 3.607 20 0 EHADRM CC(C)C[C@H](NC(=O)CCNC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000736413431 599730369 /nfs/dbraw/zinc/73/03/69/599730369.db2.gz UMMZZGBGMOEUIS-ZDUSSCGKSA-N -1 0 346.349 3.567 20 0 EHADRM C[C@@H](SCCOc1cccc(C(=O)[O-])c1)c1nc(C2CC2)no1 ZINC000736708546 599734606 /nfs/dbraw/zinc/73/46/06/599734606.db2.gz IVZPQKUFGFROMK-SNVBAGLBSA-N -1 0 334.397 3.518 20 0 EHADRM Cc1cc(NC(=O)CCCN(C)C(=O)[O-])ccc1Oc1cccnc1 ZINC000738424446 599740660 /nfs/dbraw/zinc/74/06/60/599740660.db2.gz FLXMNHNBGUHMBG-UHFFFAOYSA-N -1 0 343.383 3.511 20 0 EHADRM Cc1cc(C)cc(-c2cc(NC(=O)c3ccc(C(=O)[O-])s3)n[nH]2)c1 ZINC000738358365 599741107 /nfs/dbraw/zinc/74/11/07/599741107.db2.gz UZARFZDZJVYOLE-UHFFFAOYSA-N -1 0 341.392 3.706 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1cnc(-c2ccc(C)cc2C)s1)C(=O)[O-] ZINC000675973311 599744771 /nfs/dbraw/zinc/74/47/71/599744771.db2.gz WJJDFQURZOYNKB-NHYWBVRUSA-N -1 0 346.452 3.656 20 0 EHADRM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCCN(C)C(=O)[O-] ZINC000736929533 599746058 /nfs/dbraw/zinc/74/60/58/599746058.db2.gz QIYWVQAQAFBKGF-SJORKVTESA-N -1 0 332.444 3.561 20 0 EHADRM CN(CCCC(=O)Nc1ccc(OCC2CCCCC2)cc1)C(=O)[O-] ZINC000737429153 599747335 /nfs/dbraw/zinc/74/73/35/599747335.db2.gz CHSKMYFPBCJQQB-UHFFFAOYSA-N -1 0 348.443 3.974 20 0 EHADRM O=C([O-])c1cccc(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000238210797 599753635 /nfs/dbraw/zinc/75/36/35/599753635.db2.gz STYQLCHYAMVMNL-QGZVFWFLSA-N -1 0 327.355 3.795 20 0 EHADRM Cc1ccccc1[C@@H]1CCN(C(=O)NCCCCCCC(=O)[O-])C1 ZINC000738324767 599762382 /nfs/dbraw/zinc/76/23/82/599762382.db2.gz IUDFAYIKVMQLAE-MRXNPFEDSA-N -1 0 332.444 3.529 20 0 EHADRM CCCc1nc(C)c(C(=O)Nc2ccc(CCC(=O)[O-])cc2)s1 ZINC000236937867 599769754 /nfs/dbraw/zinc/76/97/54/599769754.db2.gz QHFKUXSWTVUGMS-UHFFFAOYSA-N -1 0 332.425 3.674 20 0 EHADRM C/C(=C\C(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000736120754 599771840 /nfs/dbraw/zinc/77/18/40/599771840.db2.gz KKBSOKKYHQTFMH-OUKQBFOZSA-N -1 0 327.355 3.885 20 0 EHADRM Cc1nc(CC(C)C)sc1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000346005302 599772399 /nfs/dbraw/zinc/77/23/99/599772399.db2.gz ZQTYRLYYFGVAMV-UHFFFAOYSA-N -1 0 346.452 3.920 20 0 EHADRM Cc1ccccc1C(C)(C)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000178259058 599772452 /nfs/dbraw/zinc/77/24/52/599772452.db2.gz XUQQOFHFHGTFOA-UHFFFAOYSA-N -1 0 325.408 3.929 20 0 EHADRM CCCN(C)c1ccc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000737007673 599772899 /nfs/dbraw/zinc/77/28/99/599772899.db2.gz KZPSEBWTEIZHII-UHFFFAOYSA-N -1 0 340.423 3.802 20 0 EHADRM CCc1oc2ccccc2c1CN(C)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000237087867 599782325 /nfs/dbraw/zinc/78/23/25/599782325.db2.gz JQQSPOZXAGDBAR-UHFFFAOYSA-N -1 0 337.375 3.966 20 0 EHADRM O=C([O-])[C@@H](NCc1coc(-c2ccc(Cl)cc2)n1)c1ccccc1 ZINC000324424421 599782758 /nfs/dbraw/zinc/78/27/58/599782758.db2.gz OFWNZZTWSWTKOR-INIZCTEOSA-N -1 0 342.782 3.911 20 0 EHADRM Cc1nc(-c2ccsc2)ccc1C(=O)OCc1occc1C(=O)[O-] ZINC000738839793 599790969 /nfs/dbraw/zinc/79/09/69/599790969.db2.gz YHIKDUMWCPMCTC-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)O[C@@H]1CCc2ccc(Cl)cc21 ZINC000736425020 599792682 /nfs/dbraw/zinc/79/26/82/599792682.db2.gz JMLLKZMPPNTTNW-UONOGXRCSA-N -1 0 325.792 3.553 20 0 EHADRM COc1ccc(Cl)c2c1N(C(=O)c1ccc(C(=O)[O-])cc1)CCC2 ZINC000738014864 599798979 /nfs/dbraw/zinc/79/89/79/599798979.db2.gz ADWLZCAZNIDGLS-UHFFFAOYSA-N -1 0 345.782 3.640 20 0 EHADRM Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccsc1C(=O)[O-] ZINC000738873828 599802663 /nfs/dbraw/zinc/80/26/63/599802663.db2.gz BVKXOCYIKKZJAK-UHFFFAOYSA-N -1 0 340.404 3.793 20 0 EHADRM O=C([O-])c1coc(CSc2nnc(-c3cccc(Cl)c3)o2)c1 ZINC000740269624 599804078 /nfs/dbraw/zinc/80/40/78/599804078.db2.gz PXHYPDFXNBRQIQ-UHFFFAOYSA-N -1 0 336.756 3.974 20 0 EHADRM Cc1ccc(OCc2nnc(SCc3cc(C(=O)[O-])co3)o2)cc1 ZINC000738649452 599804969 /nfs/dbraw/zinc/80/49/69/599804969.db2.gz SHZBNPAWSNHMAL-UHFFFAOYSA-N -1 0 346.364 3.541 20 0 EHADRM CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000736373365 599806839 /nfs/dbraw/zinc/80/68/39/599806839.db2.gz BDLWZNAGSXITPB-SNVBAGLBSA-N -1 0 338.713 3.590 20 0 EHADRM CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000736373335 599814810 /nfs/dbraw/zinc/81/48/10/599814810.db2.gz AHBXZIXEOMJZDR-OAHLLOKOSA-N -1 0 336.457 3.952 20 0 EHADRM CC(C)c1ccc(C2(C(=O)N(C)CCCC(=O)[O-])CCCC2)cc1 ZINC000427746242 599816206 /nfs/dbraw/zinc/81/62/06/599816206.db2.gz ZUGNDBWLOMYBNL-UHFFFAOYSA-N -1 0 331.456 3.945 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(N(C)C(=O)[O-])cc1)c1nc(C)cs1 ZINC000736914521 599820088 /nfs/dbraw/zinc/82/00/88/599820088.db2.gz USDXEVXMPDSBPJ-CYBMUJFWSA-N -1 0 348.428 3.839 20 0 EHADRM CCC[C@@H](NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1)c1ccccn1 ZINC000736971377 599821096 /nfs/dbraw/zinc/82/10/96/599821096.db2.gz BYJJTMXQGVJNEC-CQSZACIVSA-N -1 0 346.362 3.974 20 0 EHADRM Cc1cccc2c1CCN(C(=O)Nc1ccc(F)c(NC(=O)[O-])c1)C2 ZINC000738748595 599821694 /nfs/dbraw/zinc/82/16/94/599821694.db2.gz UTYHLZDGOYIDAC-UHFFFAOYSA-N -1 0 343.358 3.814 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)NCc2cc(F)ccc2F)ccc1F ZINC000740008489 599822015 /nfs/dbraw/zinc/82/20/15/599822015.db2.gz NOJBGLICETXCID-UHFFFAOYSA-N -1 0 339.273 3.516 20 0 EHADRM CCCCOc1cc(/C=C(/C(=O)[O-])c2ccncc2)ccc1OC ZINC000736998813 599831013 /nfs/dbraw/zinc/83/10/13/599831013.db2.gz FFYDSIDVUVQOEH-FOWTUZBSSA-N -1 0 327.380 3.894 20 0 EHADRM O=C([O-])CCCCCCNC(=O)NCc1ccc2ccccc2c1 ZINC000739666173 599832066 /nfs/dbraw/zinc/83/20/66/599832066.db2.gz DIMDMKVYNAGBDF-UHFFFAOYSA-N -1 0 328.412 3.674 20 0 EHADRM O=C([O-])CC1CCN(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)CC1 ZINC000738563832 599832661 /nfs/dbraw/zinc/83/26/61/599832661.db2.gz RSQCMADYGPILGY-SFHVURJKSA-N -1 0 348.418 3.563 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000738349975 599836933 /nfs/dbraw/zinc/83/69/33/599836933.db2.gz OBTKSKMCVJZWSV-UHFFFAOYSA-N -1 0 332.425 3.724 20 0 EHADRM CN(CCCC(=O)OCc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000737434735 599840188 /nfs/dbraw/zinc/84/01/88/599840188.db2.gz RNKZJNJVDYXSRR-UHFFFAOYSA-N -1 0 327.380 3.787 20 0 EHADRM CCCC1CCC(N(C(=O)CCCN(C)C(=O)[O-])C(C)C)CC1 ZINC000736975637 599842569 /nfs/dbraw/zinc/84/25/69/599842569.db2.gz UOJXBEWXJQWPPV-UHFFFAOYSA-N -1 0 326.481 3.972 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(F)ccc2C)cc1 ZINC000738203387 599847883 /nfs/dbraw/zinc/84/78/83/599847883.db2.gz VRXWALBEJWGVGV-INIZCTEOSA-N -1 0 347.411 3.802 20 0 EHADRM O=C([O-])c1c(F)cccc1NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000740066627 599856544 /nfs/dbraw/zinc/85/65/44/599856544.db2.gz WSEIZKBPMWEHMX-UHFFFAOYSA-N -1 0 347.733 3.839 20 0 EHADRM CCCCSCC(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000737001317 599871551 /nfs/dbraw/zinc/87/15/51/599871551.db2.gz QPEIYFIEAFFDAH-UHFFFAOYSA-N -1 0 337.466 3.749 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)c1ccc(F)c(F)c1 ZINC000739436971 599872662 /nfs/dbraw/zinc/87/26/62/599872662.db2.gz XXKXRAFMKXJOBE-UHFFFAOYSA-N -1 0 347.342 3.808 20 0 EHADRM Cc1cc([C@H]2CCCN2C(=O)Nc2sc(C)c(C)c2C(=O)[O-])on1 ZINC000324833256 599880127 /nfs/dbraw/zinc/88/01/27/599880127.db2.gz ZMWYGRIPPKIJOP-LLVKDONJSA-N -1 0 349.412 3.729 20 0 EHADRM C[C@H](OC(=O)c1ccc(C(=O)[O-])cn1)c1ccc(C(F)(F)F)cc1 ZINC000736692393 599882320 /nfs/dbraw/zinc/88/23/20/599882320.db2.gz UPQZIFPHRDTHBX-VIFPVBQESA-N -1 0 339.269 3.717 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)OCc2cc(C(=O)[O-])co2)ccc1C(C)C ZINC000738465178 599883743 /nfs/dbraw/zinc/88/37/43/599883743.db2.gz RLGILTJIXPQBBU-CYBMUJFWSA-N -1 0 346.379 3.920 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)c1 ZINC000740030045 599897383 /nfs/dbraw/zinc/89/73/83/599897383.db2.gz VLDUMQLBFJJBEJ-SFHVURJKSA-N -1 0 347.374 3.691 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N(Cc2ccccc2F)C2CC2)c1 ZINC000740027579 599898131 /nfs/dbraw/zinc/89/81/31/599898131.db2.gz XBBPUIHKVSBWIJ-UHFFFAOYSA-N -1 0 328.343 3.720 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000237189707 599899660 /nfs/dbraw/zinc/89/96/60/599899660.db2.gz MVJHPZDQGUNMEZ-WMLDXEAASA-N -1 0 341.407 3.521 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)OCc1cc(C(=O)[O-])co1 ZINC000736890502 599903993 /nfs/dbraw/zinc/90/39/93/599903993.db2.gz CVQZGHFEDGYEET-YXVBKTCISA-N -1 0 344.363 3.912 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)NCc2csc3ccccc23)c1 ZINC000740031678 599906495 /nfs/dbraw/zinc/90/64/95/599906495.db2.gz UFCPUOFNTMQFCY-UHFFFAOYSA-N -1 0 326.377 3.921 20 0 EHADRM CN(CCCC(=O)Oc1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC000737438383 599911841 /nfs/dbraw/zinc/91/18/41/599911841.db2.gz NTNGDCQQGCUEJU-UHFFFAOYSA-N -1 0 329.352 3.774 20 0 EHADRM Cc1cccc(CC(=O)Oc2ccc(Br)cc2C(=O)[O-])c1 ZINC000738698790 599914391 /nfs/dbraw/zinc/91/43/91/599914391.db2.gz VMEKRQBLFIXICE-UHFFFAOYSA-N -1 0 349.180 3.604 20 0 EHADRM Cc1cc(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)ccc1C(=O)[O-] ZINC000237823767 599916956 /nfs/dbraw/zinc/91/69/56/599916956.db2.gz JMARJFUQPMDFRP-GFCCVEGCSA-N -1 0 345.782 3.536 20 0 EHADRM CCS[C@H](C(=O)Nc1cccc(CSCC(=O)[O-])c1)C(C)C ZINC000262363352 599919954 /nfs/dbraw/zinc/91/99/54/599919954.db2.gz DMVAHHPDWKFGET-HNNXBMFYSA-N -1 0 341.498 3.721 20 0 EHADRM C[C@H](CN(C(=O)[C@@H](C)Sc1ccc(Cl)cc1)C1CC1)C(=O)[O-] ZINC000237609690 599921143 /nfs/dbraw/zinc/92/11/43/599921143.db2.gz SQTHCWVMHJXPJD-GHMZBOCLSA-N -1 0 341.860 3.532 20 0 EHADRM COc1cccc(NC(=S)N[C@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000738107400 599927173 /nfs/dbraw/zinc/92/71/73/599927173.db2.gz ZMYIWMUYMRDAAD-MRXNPFEDSA-N -1 0 344.436 3.588 20 0 EHADRM COc1ccc(NC(=S)N[C@@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000738033898 599927306 /nfs/dbraw/zinc/92/73/06/599927306.db2.gz OGAGYNMMMVXSOO-INIZCTEOSA-N -1 0 344.436 3.588 20 0 EHADRM Cc1cccc(-c2cccc(CNC(=O)c3ccc(C(=O)[O-])cn3)c2)c1 ZINC000738679824 599927450 /nfs/dbraw/zinc/92/74/50/599927450.db2.gz BHFIIKBGHJEAKM-UHFFFAOYSA-N -1 0 346.386 3.685 20 0 EHADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Oc1ccc(C(C)C)cc1 ZINC000738276882 599929967 /nfs/dbraw/zinc/92/99/67/599929967.db2.gz HVIKNMDQNZDFBB-UHFFFAOYSA-N -1 0 334.393 3.584 20 0 EHADRM Cc1ccccc1CCC(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000195257026 599930684 /nfs/dbraw/zinc/93/06/84/599930684.db2.gz UMDAFWLKRUFTAV-SFHVURJKSA-N -1 0 325.408 3.650 20 0 EHADRM C[C@@H](CN(C(=O)c1cc2c(ccc3ccccc23)[nH]1)C1CC1)C(=O)[O-] ZINC000263002704 599931951 /nfs/dbraw/zinc/93/19/51/599931951.db2.gz VGRPZKYLADKKFZ-LBPRGKRZSA-N -1 0 336.391 3.646 20 0 EHADRM Cc1ccc(CCC(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)c(C)c1 ZINC000362345358 599934669 /nfs/dbraw/zinc/93/46/69/599934669.db2.gz FGIBNDLQOZKBDF-IBGZPJMESA-N -1 0 339.435 3.958 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)CCc1ccccc1Cl)c1ccccc1 ZINC000193457560 599937056 /nfs/dbraw/zinc/93/70/56/599937056.db2.gz CQQPHVMLJCWYAG-KRWDZBQOSA-N -1 0 345.826 3.995 20 0 EHADRM Cc1ccc(S[C@H](C(=O)NCCC(=O)[O-])c2ccccc2)c(C)c1 ZINC000262154963 599939469 /nfs/dbraw/zinc/93/94/69/599939469.db2.gz BDCVHDCHBIMPOH-SFHVURJKSA-N -1 0 343.448 3.728 20 0 EHADRM COc1ccccc1[C@@H]1CCCCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000738125819 599940556 /nfs/dbraw/zinc/94/05/56/599940556.db2.gz BLGOURZYKOXWGQ-ZDUSSCGKSA-N -1 0 345.420 3.822 20 0 EHADRM Cc1ccc(C(=O)OCc2c3ccccc3sc2C(=O)[O-])c(C)n1 ZINC000738547748 599945286 /nfs/dbraw/zinc/94/52/86/599945286.db2.gz WOFVEVBOSFZCIB-UHFFFAOYSA-N -1 0 341.388 3.968 20 0 EHADRM O=C([O-])[C@@H](CNc1nc2ccccc2s1)Cc1cccc(F)c1 ZINC000739502265 599956061 /nfs/dbraw/zinc/95/60/61/599956061.db2.gz MRDPXJZJCJOOBV-GFCCVEGCSA-N -1 0 330.384 3.791 20 0 EHADRM Cc1cc(NCC(=O)N[C@H](C)c2ccc(Cl)cc2)ccc1C(=O)[O-] ZINC000738458058 599960692 /nfs/dbraw/zinc/96/06/92/599960692.db2.gz BOWRUUSCHZXDHI-GFCCVEGCSA-N -1 0 346.814 3.636 20 0 EHADRM Cc1nn(C)c(Cl)c1[C@H]1CCCN1[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000738915614 599975149 /nfs/dbraw/zinc/97/51/49/599975149.db2.gz QNNKTHKTOFAKQC-GHMZBOCLSA-N -1 0 337.807 3.571 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)c1cc(-c2ccc(OC)cc2)c(C)s1 ZINC000184901221 599991995 /nfs/dbraw/zinc/99/19/95/599991995.db2.gz NVWLPXZMHZORQQ-UHFFFAOYSA-N -1 0 347.436 3.669 20 0 EHADRM CC(C)[C@@H](Sc1ccccc1)C(=O)OCc1ccc(C(=O)[O-])o1 ZINC000736389284 600007641 /nfs/dbraw/zinc/00/76/41/600007641.db2.gz AOHKNOXHMBGXBQ-OAHLLOKOSA-N -1 0 334.393 3.838 20 0 EHADRM Cc1cc(NC(=O)N(C)CCc2ccc(F)cc2)ccc1C(=O)[O-] ZINC000738438291 600012628 /nfs/dbraw/zinc/01/26/28/600012628.db2.gz QBFCQMOKXNTMGT-UHFFFAOYSA-N -1 0 330.359 3.539 20 0 EHADRM Cc1cc(NC(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)ccc1C(=O)[O-] ZINC000738439524 600014926 /nfs/dbraw/zinc/01/49/26/600014926.db2.gz DEBIRQULRIMUNV-JKSUJKDBSA-N -1 0 328.343 3.510 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc(OCC3CCCCC3)cc2)C1 ZINC000337675462 600018899 /nfs/dbraw/zinc/01/88/99/600018899.db2.gz XTYZSMOVKFDAJO-QGZVFWFLSA-N -1 0 345.439 3.583 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)c2sc3cc(F)ccc3c2Cl)C1 ZINC000318887610 600019917 /nfs/dbraw/zinc/01/99/17/600019917.db2.gz HJKGCJFNJGPNAR-QMMMGPOBSA-N -1 0 341.791 3.631 20 0 EHADRM C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000736719315 600021891 /nfs/dbraw/zinc/02/18/91/600021891.db2.gz XIICFDSRAZHHGA-ZDUSSCGKSA-N -1 0 342.395 3.634 20 0 EHADRM Cc1ccc(OC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)c(C(=O)[O-])c1 ZINC000738636593 600023309 /nfs/dbraw/zinc/02/33/09/600023309.db2.gz RUIBOKGWQUTPMR-NEPJUHHUSA-N -1 0 332.302 3.681 20 0 EHADRM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000326095236 600023551 /nfs/dbraw/zinc/02/35/51/600023551.db2.gz BFQPRJIHQNCERR-IRXDYDNUSA-N -1 0 330.428 3.625 20 0 EHADRM CC(C)c1ccc(C(C)(C)NC(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000736513726 600023567 /nfs/dbraw/zinc/02/35/67/600023567.db2.gz YCKHTZGJQIUTSD-UHFFFAOYSA-N -1 0 346.471 3.988 20 0 EHADRM CCCC[C@@H]1CCC[C@H]1NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736985411 600024013 /nfs/dbraw/zinc/02/40/13/600024013.db2.gz OOEXKEMONIDLLM-CXAGYDPISA-N -1 0 330.428 3.769 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)CCCc2ccc(Cl)cc2)c1 ZINC000739889563 600025945 /nfs/dbraw/zinc/02/59/45/600025945.db2.gz PDZAXSRZTPNCQW-UHFFFAOYSA-N -1 0 332.783 3.895 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000261800780 600028768 /nfs/dbraw/zinc/02/87/68/600028768.db2.gz UTIVYBCPDPGCQB-NUYPLMSZSA-N -1 0 338.835 3.686 20 0 EHADRM Cc1cc(OC(C)C)ccc1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000574426655 600029677 /nfs/dbraw/zinc/02/96/77/600029677.db2.gz RHDZOODHBBXJOW-UHFFFAOYSA-N -1 0 334.416 3.547 20 0 EHADRM Cc1ccc([C@H](NC(=O)CCc2ccc(C(=O)[O-])cc2)C2CC2)cc1 ZINC000237637849 600035829 /nfs/dbraw/zinc/03/58/29/600035829.db2.gz VMYKYMCLEDROER-FQEVSTJZSA-N -1 0 337.419 3.893 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)NC[C@H]2CCCc3ccccc32)cc1 ZINC000238067589 600037690 /nfs/dbraw/zinc/03/76/90/600037690.db2.gz DWYATWWADZSMJM-GOSISDBHSA-N -1 0 337.419 3.554 20 0 EHADRM COc1ccccc1C/C(C)=C\C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000738124211 600038177 /nfs/dbraw/zinc/03/81/77/600038177.db2.gz OWSIECYWGGFTIE-BENRWUELSA-N -1 0 343.354 3.660 20 0 EHADRM CN(C)c1c(Cl)cccc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000737374758 600038712 /nfs/dbraw/zinc/03/87/12/600038712.db2.gz ZMTQMAJJBUUXPQ-UHFFFAOYSA-N -1 0 346.814 3.676 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000236686984 600039069 /nfs/dbraw/zinc/03/90/69/600039069.db2.gz YOBGOLIWYCOBSE-UHFFFAOYSA-N -1 0 327.380 3.743 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1cc3ccc(F)cc3s1)C2 ZINC000326350696 600044544 /nfs/dbraw/zinc/04/45/44/600044544.db2.gz OOBOJUNGCOXJIG-UHFFFAOYSA-N -1 0 341.363 3.895 20 0 EHADRM C[C@]12CC3CC(C(=O)NC4CCC(C(=O)[O-])CC4)(C1)C[C@@](C)(C3)C2 ZINC000261730478 600053270 /nfs/dbraw/zinc/05/32/70/600053270.db2.gz RSRPFFKLOWDICN-PLGBPXNASA-N -1 0 333.472 3.743 20 0 EHADRM O=C([O-])c1ccc2[nH]c3c(c2c1)CN(C(=O)CC1=CCCCC1)CC3 ZINC000238047581 600058795 /nfs/dbraw/zinc/05/87/95/600058795.db2.gz KVXDKURCWJEPII-UHFFFAOYSA-N -1 0 338.407 3.641 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)NCC2(c3ccccc3)CCC2)cc1 ZINC000238065843 600060623 /nfs/dbraw/zinc/06/06/23/600060623.db2.gz IBPDPARGSRHLND-UHFFFAOYSA-N -1 0 337.419 3.556 20 0 EHADRM CC(C)(C(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccccc1Cl ZINC000539573633 600062180 /nfs/dbraw/zinc/06/21/80/600062180.db2.gz RNEWARFXNXHNHR-UHFFFAOYSA-N -1 0 347.798 3.720 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000236942722 600063641 /nfs/dbraw/zinc/06/36/41/600063641.db2.gz ACKCLNCDPLZVRS-LBPRGKRZSA-N -1 0 329.421 3.988 20 0 EHADRM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000485631836 600063940 /nfs/dbraw/zinc/06/39/40/600063940.db2.gz BTGJSXLZGPAMLG-OLZOCXBDSA-N -1 0 331.755 3.792 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000738120890 600066343 /nfs/dbraw/zinc/06/63/43/600066343.db2.gz PPANZWPZJARUNA-LUAWRHEFSA-N -1 0 329.327 3.575 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)/C=C/c2ccco2)c1 ZINC000238212952 600067450 /nfs/dbraw/zinc/06/74/50/600067450.db2.gz VPPBBLNXDKZEJA-VOTSOKGWSA-N -1 0 331.393 3.639 20 0 EHADRM Cc1cccc(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)c1 ZINC000237612442 600067478 /nfs/dbraw/zinc/06/74/78/600067478.db2.gz IFPLRLLZFULTNC-UHFFFAOYSA-N -1 0 329.421 3.955 20 0 EHADRM COc1cccc(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)c1 ZINC000362562702 600067905 /nfs/dbraw/zinc/06/79/05/600067905.db2.gz ULSMYONOIVYDPO-UHFFFAOYSA-N -1 0 345.420 3.655 20 0 EHADRM CC(C)c1sc(NC(=O)[C@H]2C[C@H]2C(=O)[O-])nc1-c1ccccc1 ZINC000736531293 600071649 /nfs/dbraw/zinc/07/16/49/600071649.db2.gz YKIAYXOWGPSDIL-NWDGAFQWSA-N -1 0 330.409 3.593 20 0 EHADRM COc1ccc(C(=O)[O-])c(OCc2ccc(SC)c(OC)c2)c1 ZINC000737946969 600075962 /nfs/dbraw/zinc/07/59/62/600075962.db2.gz FXHWTALETUWYGY-UHFFFAOYSA-N -1 0 334.393 3.703 20 0 EHADRM Cc1ccc(-c2nnc(COc3ccc(Cl)cc3C(=O)[O-])o2)cc1 ZINC000324734066 600080261 /nfs/dbraw/zinc/08/02/61/600080261.db2.gz JWLIKPBHEPEGDI-UHFFFAOYSA-N -1 0 344.754 3.976 20 0 EHADRM COc1ccc(Cl)cc1CN(C)Cc1ccc(F)cc1C(=O)[O-] ZINC000738012954 600082666 /nfs/dbraw/zinc/08/26/66/600082666.db2.gz BUJVXVUKGDHSGM-UHFFFAOYSA-N -1 0 337.778 3.818 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(Cc1sccc1Br)C2 ZINC000131269497 600086085 /nfs/dbraw/zinc/08/60/85/600086085.db2.gz DPZWQGRYMZRSNL-UHFFFAOYSA-N -1 0 338.226 3.725 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)C2(c3ccc(F)cc3)CC2)ccc1F ZINC000740005570 600088076 /nfs/dbraw/zinc/08/80/76/600088076.db2.gz INVJHYPWFPZDET-UHFFFAOYSA-N -1 0 332.306 3.725 20 0 EHADRM Cc1cccc(OCCC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1C ZINC000738734664 600088121 /nfs/dbraw/zinc/08/81/21/600088121.db2.gz MXYQDMGIBILGIT-UHFFFAOYSA-N -1 0 346.358 3.940 20 0 EHADRM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000738638443 600090806 /nfs/dbraw/zinc/09/08/06/600090806.db2.gz LRZALOGARMOPLE-NSHDSACASA-N -1 0 332.331 3.630 20 0 EHADRM O=C([O-])c1cc(F)ccc1CN1CCO[C@H](c2ccccc2Cl)C1 ZINC000575130956 600102229 /nfs/dbraw/zinc/10/22/29/600102229.db2.gz ODNCNTDCCXQGHX-KRWDZBQOSA-N -1 0 349.789 3.751 20 0 EHADRM CC(C)COc1ccc(CC(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC000736446421 600109168 /nfs/dbraw/zinc/10/91/68/600109168.db2.gz RGHUCSDTDAMNEO-ZDUSSCGKSA-N -1 0 346.379 3.860 20 0 EHADRM O=C([O-])c1ccc(-c2noc(-c3cc(-c4ccccc4)no3)n2)cc1 ZINC000740100602 600111743 /nfs/dbraw/zinc/11/17/43/600111743.db2.gz UDWPXXSVNPAMAU-UHFFFAOYSA-N -1 0 333.303 3.757 20 0 EHADRM Cn1cc(Cc2nc(-c3ccc(C(=O)[O-])cc3)no2)c2ccccc21 ZINC000739035612 600111804 /nfs/dbraw/zinc/11/18/04/600111804.db2.gz XHZIUDJVSPOXGN-UHFFFAOYSA-N -1 0 333.347 3.517 20 0 EHADRM C[C@@H](Cc1nc(-c2ccc(C(=O)[O-])cc2)no1)c1ccc(F)cc1 ZINC000736630478 600113595 /nfs/dbraw/zinc/11/35/95/600113595.db2.gz WWRKBJZYUWWITL-NSHDSACASA-N -1 0 326.327 3.920 20 0 EHADRM CCOc1ccc(CCC(=O)OCc2ccc(F)cc2C(=O)[O-])cc1 ZINC000737205297 600115708 /nfs/dbraw/zinc/11/57/08/600115708.db2.gz IBWBZLIRIDNESX-UHFFFAOYSA-N -1 0 346.354 3.599 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000738122410 600117594 /nfs/dbraw/zinc/11/75/94/600117594.db2.gz ZNJRWFNUXORTBE-LBPRGKRZSA-N -1 0 346.354 3.770 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)Nc1cccc2[nH]ccc21)c1cccs1 ZINC000739627085 600122537 /nfs/dbraw/zinc/12/25/37/600122537.db2.gz FJVSFTMVKPAIHI-CYBMUJFWSA-N -1 0 329.381 3.567 20 0 EHADRM Cc1cc(NC(=O)Cc2ccc(-c3ccccc3)cc2)c(C(=O)[O-])[nH]1 ZINC000738431833 600123425 /nfs/dbraw/zinc/12/34/25/600123425.db2.gz PUQIZVOWVRDCBB-UHFFFAOYSA-N -1 0 334.375 3.870 20 0 EHADRM Cc1cc(NC(=O)Cc2coc3cc(C)c(C)cc23)c(C(=O)[O-])[nH]1 ZINC000738431655 600124728 /nfs/dbraw/zinc/12/47/28/600124728.db2.gz HWPJXYMCMJCHIP-UHFFFAOYSA-N -1 0 326.352 3.566 20 0 EHADRM CC[C@](NCc1nc2ccccc2s1)(C(=O)[O-])c1ccccc1 ZINC000736920863 600129534 /nfs/dbraw/zinc/12/95/34/600129534.db2.gz UFLSDAXMXSUHLL-GOSISDBHSA-N -1 0 326.421 3.776 20 0 EHADRM Cc1ccc(OC(=O)Cn2ccc3ccc(Cl)cc32)c(C(=O)[O-])c1 ZINC000738642118 600131851 /nfs/dbraw/zinc/13/18/51/600131851.db2.gz YXYJQYZUNPGYBP-UHFFFAOYSA-N -1 0 343.766 3.907 20 0 EHADRM CC[C@@](NC(=O)[C@@H](C)Cc1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC000736904468 600132447 /nfs/dbraw/zinc/13/24/47/600132447.db2.gz BGUMFWLZYPJMIY-XOBRGWDASA-N -1 0 343.398 3.511 20 0 EHADRM CC[C@@](NC(=O)CSc1ccc(C)cc1)(C(=O)[O-])c1ccccc1 ZINC000485363127 600132985 /nfs/dbraw/zinc/13/29/85/600132985.db2.gz YHHNPWRURHSVKR-IBGZPJMESA-N -1 0 343.448 3.593 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000738126907 600145241 /nfs/dbraw/zinc/14/52/41/600145241.db2.gz ZREAFSAHAQYIBB-CYBMUJFWSA-N -1 0 342.395 3.993 20 0 EHADRM CN(Cc1ccc(F)cc1Cl)C(=O)c1ccc(C(=O)[O-])s1 ZINC000237099343 600153080 /nfs/dbraw/zinc/15/30/80/600153080.db2.gz IOXCOQOSSDEAFJ-UHFFFAOYSA-N -1 0 327.764 3.511 20 0 EHADRM Cc1ccc([C@H](CNC(=O)c2cc3ccccc3s2)C(=O)[O-])cc1 ZINC000486375241 600157607 /nfs/dbraw/zinc/15/76/07/600157607.db2.gz PJGZAAOCZINOAD-HNNXBMFYSA-N -1 0 339.416 3.808 20 0 EHADRM CC(C)(NC(=O)[O-])C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000736337136 600157782 /nfs/dbraw/zinc/15/77/82/600157782.db2.gz NNEIHUJVIBUDKT-UHFFFAOYSA-N -1 0 340.807 3.646 20 0 EHADRM CCCc1ccc(C(=O)NC[C@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000486387108 600158978 /nfs/dbraw/zinc/15/89/78/600158978.db2.gz IKISTFAVHPBPJD-SFHVURJKSA-N -1 0 325.408 3.546 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)c1cccc(C(F)F)c1)C(=O)[O-] ZINC000450501486 600159234 /nfs/dbraw/zinc/15/92/34/600159234.db2.gz PVCKPRKFNGZSMT-CYBMUJFWSA-N -1 0 347.361 3.987 20 0 EHADRM CCc1sc(C(=O)NC[C@H](C(=O)[O-])c2ccc(C)cc2)cc1C ZINC000486407839 600164334 /nfs/dbraw/zinc/16/43/34/600164334.db2.gz NHCSLZQOJWSSJG-AWEZNQCLSA-N -1 0 331.437 3.526 20 0 EHADRM CC(C)c1ccc(OCC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000392080024 600167686 /nfs/dbraw/zinc/16/76/86/600167686.db2.gz BQLCTFMUSCEYAR-UHFFFAOYSA-N -1 0 331.343 3.665 20 0 EHADRM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000321640622 600168001 /nfs/dbraw/zinc/16/80/01/600168001.db2.gz PKKKAPLYHFHXGJ-VIFPVBQESA-N -1 0 337.734 3.583 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000738125631 600175789 /nfs/dbraw/zinc/17/57/89/600175789.db2.gz HSHXAAVRQRHAOI-STQMWFEESA-N -1 0 346.379 3.860 20 0 EHADRM CCc1cccc(NC(=O)NC[C@H](C(=O)[O-])c2ccc(C)cc2)c1 ZINC000737270414 600176233 /nfs/dbraw/zinc/17/62/33/600176233.db2.gz RXLXRTOLSUIMOD-KRWDZBQOSA-N -1 0 326.396 3.547 20 0 EHADRM CC(C)c1ccccc1NC(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC000736522966 600178825 /nfs/dbraw/zinc/17/88/25/600178825.db2.gz LDKVXOMOEJPZPY-UHFFFAOYSA-N -1 0 342.395 3.595 20 0 EHADRM O=C([O-])[C@H]1CN(C(=S)Nc2cccc(Cl)c2)c2ccccc21 ZINC000739615760 600189393 /nfs/dbraw/zinc/18/93/93/600189393.db2.gz MJWKLSOEBMDURZ-ZDUSSCGKSA-N -1 0 332.812 3.725 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC000736928488 600189695 /nfs/dbraw/zinc/18/96/95/600189695.db2.gz JWEISKJRGFWMRE-MRXNPFEDSA-N -1 0 330.405 3.790 20 0 EHADRM C[C@H](CC(=O)N[C@H](CC(=O)[O-])c1ccccc1)c1cccc(F)c1 ZINC000237398588 600206298 /nfs/dbraw/zinc/20/62/98/600206298.db2.gz WKDXTFQEZBHPQX-CXAGYDPISA-N -1 0 329.371 3.652 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000358612667 600207042 /nfs/dbraw/zinc/20/70/42/600207042.db2.gz QFIJKCXXQOPVTR-AHCXZYCDSA-N -1 0 329.440 3.733 20 0 EHADRM CSCC[C@@H](C)Nc1nc(C)nc2sc(C(=O)[O-])c(C)c21 ZINC000738141258 600207105 /nfs/dbraw/zinc/20/71/05/600207105.db2.gz XCZMWOWGZSAUSD-SSDOTTSWSA-N -1 0 325.459 3.560 20 0 EHADRM O=C([O-])CCC(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000179079314 600207375 /nfs/dbraw/zinc/20/73/75/600207375.db2.gz HWLYUODUWYUOBM-UHFFFAOYSA-N -1 0 333.771 3.722 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C[C@@H](C)c1cccc(F)c1 ZINC000237472201 600207538 /nfs/dbraw/zinc/20/75/38/600207538.db2.gz ABPSVPBVCGOBSS-GFCCVEGCSA-N -1 0 345.370 3.730 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000740215566 600208829 /nfs/dbraw/zinc/20/88/29/600208829.db2.gz ZQAUKFAZXISIMQ-HNNXBMFYSA-N -1 0 329.783 3.668 20 0 EHADRM CC(C)CCSCC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000598668780 600209871 /nfs/dbraw/zinc/20/98/71/600209871.db2.gz AZTNDYATNFCUSQ-UHFFFAOYSA-N -1 0 347.383 3.704 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C=C(C2CC2)C2CC2)c(OC(F)F)c1 ZINC000739207801 600210331 /nfs/dbraw/zinc/21/03/31/600210331.db2.gz AVRXFSZAKQRCHV-UHFFFAOYSA-N -1 0 337.322 3.671 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)CSc2ccc(Cl)cc2)c2ccccc21 ZINC000177482430 600218915 /nfs/dbraw/zinc/21/89/15/600218915.db2.gz SETOODJFJNIXBT-AWEZNQCLSA-N -1 0 347.823 3.647 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2)c2ccccc21 ZINC000177481937 600220536 /nfs/dbraw/zinc/22/05/36/600220536.db2.gz DCXQUBXGKJMWGF-CYBMUJFWSA-N -1 0 336.174 3.822 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)Nc2ccc(F)c(F)c2F)c1 ZINC000740043467 600225833 /nfs/dbraw/zinc/22/58/33/600225833.db2.gz SSNOBZBAZJMCDG-UHFFFAOYSA-N -1 0 325.246 3.838 20 0 EHADRM CCN(CC)C(=O)[C@H](Nc1cccc(NC(=O)[O-])c1)c1ccccc1 ZINC000737078480 600227774 /nfs/dbraw/zinc/22/77/74/600227774.db2.gz MMRMZCPQGMNHKE-QGZVFWFLSA-N -1 0 341.411 3.798 20 0 EHADRM COC(=O)c1cccc(NC(=O)Nc2cccc(NC(=O)[O-])c2)c1C ZINC000737714115 600228968 /nfs/dbraw/zinc/22/89/68/600228968.db2.gz QDVQJOFPUGDXQE-UHFFFAOYSA-N -1 0 343.339 3.516 20 0 EHADRM Cc1ccccc1-c1noc(Cn2cc(C(=O)[O-])c3ccccc32)n1 ZINC000738755649 600246356 /nfs/dbraw/zinc/24/63/56/600246356.db2.gz BIHMACWHTBYVQG-UHFFFAOYSA-N -1 0 333.347 3.746 20 0 EHADRM CCO[C@H](C)c1noc(CNc2ccc(C(C)C)cc2C(=O)[O-])n1 ZINC000737159717 600261142 /nfs/dbraw/zinc/26/11/42/600261142.db2.gz XXFBQZSGRXUWFX-LLVKDONJSA-N -1 0 333.388 3.601 20 0 EHADRM O=C([O-])[C@@H](Nc1ccc(OCC2CCOCC2)cc1)c1ccccc1 ZINC000738524498 600267178 /nfs/dbraw/zinc/26/71/78/600267178.db2.gz HMZCOWFQLSTSTR-IBGZPJMESA-N -1 0 341.407 3.730 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)CCc1cc(Cl)cs1 ZINC000739251830 600272372 /nfs/dbraw/zinc/27/23/72/600272372.db2.gz OCOLNYOFSIUCQZ-UHFFFAOYSA-N -1 0 342.775 3.915 20 0 EHADRM C[C@@H](NC(=S)Nc1ccc(CN(C)C(=O)[O-])cc1)c1cccs1 ZINC000736660830 600279213 /nfs/dbraw/zinc/27/92/13/600279213.db2.gz OOHNWLAJHWHRGV-LLVKDONJSA-N -1 0 349.481 3.906 20 0 EHADRM Cc1ccc(F)c(NC(=S)Nc2ccc(CNC(=O)[O-])cc2)c1 ZINC000738605069 600279957 /nfs/dbraw/zinc/27/99/57/600279957.db2.gz ZRQFHGGKRVCPKK-UHFFFAOYSA-N -1 0 333.388 3.711 20 0 EHADRM COC[C@H](NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1ccccc1 ZINC000737749275 600281014 /nfs/dbraw/zinc/28/10/14/600281014.db2.gz XVYXXWDEPSEQRD-HNNXBMFYSA-N -1 0 348.786 3.547 20 0 EHADRM O=C([O-])c1sc(N[C@H](c2ccccc2)[C@H]2CCCO2)nc1Cl ZINC000740280274 600282593 /nfs/dbraw/zinc/28/25/93/600282593.db2.gz VLEQSWQAGDBKPR-GHMZBOCLSA-N -1 0 338.816 3.827 20 0 EHADRM Cc1ccc(CNC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1F ZINC000738597341 600283961 /nfs/dbraw/zinc/28/39/61/600283961.db2.gz GUDBDFLZOCNGAF-UHFFFAOYSA-N -1 0 336.750 3.807 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N2CCC[C@@H]2c2ccccn2)c1 ZINC000740074110 600284124 /nfs/dbraw/zinc/28/41/24/600284124.db2.gz IAONUQQUUMOKED-OAHLLOKOSA-N -1 0 345.786 3.802 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N[C@@H]2CCc3c2cccc3F)c1 ZINC000739461535 600285784 /nfs/dbraw/zinc/28/57/84/600285784.db2.gz CYYZROVMWMKIBB-OAHLLOKOSA-N -1 0 348.761 3.986 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1 ZINC000739985327 600289226 /nfs/dbraw/zinc/28/92/26/600289226.db2.gz IQLJEVHCGJFSND-JXMROGBWSA-N -1 0 330.771 3.760 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)cc1 ZINC000739984564 600290109 /nfs/dbraw/zinc/29/01/09/600290109.db2.gz HBFPSFNTNYXCMX-JKSUJKDBSA-N -1 0 344.798 3.850 20 0 EHADRM O=C([O-])CCCc1nc(CN2Cc3ccccc3-c3ccccc32)no1 ZINC000739702405 600290926 /nfs/dbraw/zinc/29/09/26/600290926.db2.gz GDGNXVBFHVFAHZ-UHFFFAOYSA-N -1 0 349.390 3.664 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000738757271 600293127 /nfs/dbraw/zinc/29/31/27/600293127.db2.gz ZVXJLOKUTOHUQU-CQSZACIVSA-N -1 0 326.396 3.895 20 0 EHADRM O=C([O-])[C@@H](OC(=O)CSc1ccccc1)c1cccc(Cl)c1 ZINC000739337568 600323817 /nfs/dbraw/zinc/32/38/17/600323817.db2.gz LHUGVTVMZBWGSF-HNNXBMFYSA-N -1 0 336.796 3.801 20 0 EHADRM CCCCc1noc([C@@H](C)Nc2ccc(CN(C)C(=O)[O-])cc2)n1 ZINC000737004137 600325951 /nfs/dbraw/zinc/32/59/51/600325951.db2.gz MUNPEYGKCNXZBY-GFCCVEGCSA-N -1 0 332.404 3.695 20 0 EHADRM Cc1ccc(NC(=O)[C@H](C)Nc2ccc(CNC(=O)[O-])cc2)cc1C ZINC000738615424 600328022 /nfs/dbraw/zinc/32/80/22/600328022.db2.gz MHBIZYOMQNMMSL-AWEZNQCLSA-N -1 0 341.411 3.510 20 0 EHADRM CC1(C)CO[C@H](c2ccccc2Cl)CN1Cc1occc1C(=O)[O-] ZINC000736736920 600335766 /nfs/dbraw/zinc/33/57/66/600335766.db2.gz IWUWLYHLKYJCLZ-HNNXBMFYSA-N -1 0 349.814 3.983 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)Nc2cc(F)ccc2Cl)cc1 ZINC000739993040 600339928 /nfs/dbraw/zinc/33/99/28/600339928.db2.gz ZLJRBAGXFVMQRT-UHFFFAOYSA-N -1 0 337.738 3.891 20 0 EHADRM CC(C)C[C@H]1CCCN1C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736425451 600341550 /nfs/dbraw/zinc/34/15/50/600341550.db2.gz KCCYLBXYELXSFA-MRXNPFEDSA-N -1 0 333.432 3.839 20 0 EHADRM O=C([O-])CCc1nc(CSCc2ccc3ccccc3c2)no1 ZINC000739770938 600350920 /nfs/dbraw/zinc/35/09/20/600350920.db2.gz CCLDXVBXCNQRAB-UHFFFAOYSA-N -1 0 328.393 3.673 20 0 EHADRM Cc1cc(SCc2noc(CCCC(=O)[O-])n2)c2ccccc2n1 ZINC000738483069 600353840 /nfs/dbraw/zinc/35/38/40/600353840.db2.gz VUNACIHNHLLUOZ-UHFFFAOYSA-N -1 0 343.408 3.626 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000736625855 600367679 /nfs/dbraw/zinc/36/76/79/600367679.db2.gz HWBACHRKKLGQMR-SNVBAGLBSA-N -1 0 335.762 3.995 20 0 EHADRM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2cc(C)c(C(=O)[O-])s2)c1 ZINC000738097579 600368350 /nfs/dbraw/zinc/36/83/50/600368350.db2.gz UWOGLCYVZCJUDF-QWHCGFSZSA-N -1 0 331.393 3.506 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)sc1C(=O)[O-] ZINC000738234106 600371781 /nfs/dbraw/zinc/37/17/81/600371781.db2.gz HAWRKSOYWSWCEW-NXEZZACHSA-N -1 0 337.347 3.775 20 0 EHADRM Cc1cc(NC(=O)CCOc2cc(C)cc(C)c2)sc1C(=O)[O-] ZINC000320706936 600372371 /nfs/dbraw/zinc/37/23/71/600372371.db2.gz STDWTXZZHAJQPN-UHFFFAOYSA-N -1 0 333.409 3.779 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H](C)c2cccs2)cc1 ZINC000237359410 600377848 /nfs/dbraw/zinc/37/78/48/600377848.db2.gz WGGBYYHZOARMGZ-FZMZJTMJSA-N -1 0 349.477 3.906 20 0 EHADRM CCn1c(S[C@@H](C(=O)[O-])c2cccc(Cl)c2)nnc1C1CC1 ZINC000737295522 600377917 /nfs/dbraw/zinc/37/79/17/600377917.db2.gz JJPFRZGLIBEEAE-GFCCVEGCSA-N -1 0 337.832 3.747 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000139446993 600378146 /nfs/dbraw/zinc/37/81/46/600378146.db2.gz AJIMDMGSOGPNRT-KSSFIOAISA-N -1 0 343.398 3.727 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)COc1cc(Cl)ccc1F ZINC000738528586 600380133 /nfs/dbraw/zinc/38/01/33/600380133.db2.gz QFLNODXGDDBGKY-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736904845 600381364 /nfs/dbraw/zinc/38/13/64/600381364.db2.gz ZJQJKCBWXOMOMN-KRWDZBQOSA-N -1 0 340.423 3.704 20 0 EHADRM CCN(CCc1ccccc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000737101583 600383099 /nfs/dbraw/zinc/38/30/99/600383099.db2.gz DHCATMDBSQOZFI-UHFFFAOYSA-N -1 0 330.359 3.620 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)C[C@H]2CCOc3ccccc32)ccc1F ZINC000740007255 600383876 /nfs/dbraw/zinc/38/38/76/600383876.db2.gz VIWWTMLRMXSUDC-LLVKDONJSA-N -1 0 344.342 3.811 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@@H](C)Cc1cccc(F)c1)c1ccccc1 ZINC000736845348 600385137 /nfs/dbraw/zinc/38/51/37/600385137.db2.gz BCJGQJLBUPEGNV-KSSFIOAISA-N -1 0 343.398 3.901 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@@H](C)c1ccccc1F)c1ccccc1 ZINC000736845708 600385437 /nfs/dbraw/zinc/38/54/37/600385437.db2.gz CMTUNLRBIGPWGK-GUYCJALGSA-N -1 0 329.371 3.826 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1cccc2ncccc21)c1ccccc1 ZINC000736852767 600386032 /nfs/dbraw/zinc/38/60/32/600386032.db2.gz ZOGLKXUTLTVJNQ-GOSISDBHSA-N -1 0 334.375 3.745 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1ccc2ccccc2n1)c1ccccc1 ZINC000736851262 600386482 /nfs/dbraw/zinc/38/64/82/600386482.db2.gz NVRCGMVCMUVMIO-SFHVURJKSA-N -1 0 334.375 3.745 20 0 EHADRM O=C([O-])c1cc(NC(=O)NCc2ccc3ccccc3c2)ccc1F ZINC000739449435 600387206 /nfs/dbraw/zinc/38/72/06/600387206.db2.gz NTWYQCALQPVXHS-UHFFFAOYSA-N -1 0 338.338 3.999 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@H]2CCc3cc(Cl)ccc32)ccc1F ZINC000739470487 600387924 /nfs/dbraw/zinc/38/79/24/600387924.db2.gz FROBRHWMYXFRMP-HNNXBMFYSA-N -1 0 348.761 3.986 20 0 EHADRM C[C@H](CCc1ccccc1)NC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000324688142 600389535 /nfs/dbraw/zinc/38/95/35/600389535.db2.gz LPKRBUGUEDMCHK-GFCCVEGCSA-N -1 0 330.359 3.667 20 0 EHADRM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000736823233 600392274 /nfs/dbraw/zinc/39/22/74/600392274.db2.gz BNWAMULRRSCGHK-SJKOYZFVSA-N -1 0 339.395 3.856 20 0 EHADRM Cc1occc1C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000237671915 600392559 /nfs/dbraw/zinc/39/25/59/600392559.db2.gz RVGUPPFCGMJQHU-MRXNPFEDSA-N -1 0 329.396 3.831 20 0 EHADRM Cc1cc(C)c(CNC(=O)Nc2ccc(C(=O)[O-])cc2F)c(C)c1 ZINC000738356298 600396616 /nfs/dbraw/zinc/39/66/16/600396616.db2.gz UPXDTQOLIWUSKW-UHFFFAOYSA-N -1 0 330.359 3.771 20 0 EHADRM C[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000321429716 600398269 /nfs/dbraw/zinc/39/82/69/600398269.db2.gz UHMUMNSIGWMGRZ-VIFPVBQESA-N -1 0 334.372 3.737 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCCc2ccccc2Cl)c(F)c1 ZINC000739433211 600401691 /nfs/dbraw/zinc/40/16/91/600401691.db2.gz YXWYMUFTXSXBAO-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)OCc2cc(C(=O)[O-])c(C)o2)s1 ZINC000738464693 600404582 /nfs/dbraw/zinc/40/45/82/600404582.db2.gz KUWKVWNDIGYNTM-UHFFFAOYSA-N -1 0 346.307 3.615 20 0 EHADRM C[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC000736777028 600405875 /nfs/dbraw/zinc/40/58/75/600405875.db2.gz UQEOTDXTBCDFEL-MWLCHTKSSA-N -1 0 342.342 3.686 20 0 EHADRM CC[C@@H](C)[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736871023 600408287 /nfs/dbraw/zinc/40/82/87/600408287.db2.gz NKIWEYLRQOGXHB-BDAKNGLRSA-N -1 0 330.331 3.542 20 0 EHADRM O=C([O-])CCCCNC(=O)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000739670704 600414049 /nfs/dbraw/zinc/41/40/49/600414049.db2.gz CUJXEFPMZYRFJQ-UHFFFAOYSA-N -1 0 348.786 3.512 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)CCc1ccc(-c2ccccc2)o1 ZINC000236825918 600416288 /nfs/dbraw/zinc/41/62/88/600416288.db2.gz UNDCKADEUQFZAR-UHFFFAOYSA-N -1 0 329.396 3.639 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C[C@@H]2CCc3ccccc3C2)c(F)c1 ZINC000261936514 600427349 /nfs/dbraw/zinc/42/73/49/600427349.db2.gz MGCYNDZRNHOIFY-GFCCVEGCSA-N -1 0 327.355 3.658 20 0 EHADRM CCCCCCOc1ccc(C(=O)Nc2cc(C(=O)[O-])ccn2)cc1 ZINC000736983107 600432753 /nfs/dbraw/zinc/43/27/53/600432753.db2.gz HFJQCIUWTOQAMT-UHFFFAOYSA-N -1 0 342.395 3.991 20 0 EHADRM O=C([O-])CSCc1cccc(Nc2ncnc3cccc(F)c32)c1 ZINC000739874208 600433972 /nfs/dbraw/zinc/43/39/72/600433972.db2.gz ONZRVDNTJMAJEW-UHFFFAOYSA-N -1 0 343.383 3.830 20 0 EHADRM Cc1ccc2c(c1C)OC[C@H]2N[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000738674855 600434729 /nfs/dbraw/zinc/43/47/29/600434729.db2.gz CJERGRLSNYWJCC-CVEARBPZSA-N -1 0 331.799 3.806 20 0 EHADRM C[C@H]1CCCC[C@@H]1CCNC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736779026 600452175 /nfs/dbraw/zinc/45/21/75/600452175.db2.gz HYPHZLZOQYXZNY-UONOGXRCSA-N -1 0 330.428 3.626 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)s1 ZINC000738465604 600454887 /nfs/dbraw/zinc/45/48/87/600454887.db2.gz VBIRCSHKGPSBQG-SSDOTTSWSA-N -1 0 346.307 3.867 20 0 EHADRM Cc1ccc(C[C@H](C)N(C)C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000738585048 600455245 /nfs/dbraw/zinc/45/52/45/600455245.db2.gz SSPWNPIZMPNQSK-AWEZNQCLSA-N -1 0 326.396 3.788 20 0 EHADRM CCC(CC)CN(CC)C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736895511 600462135 /nfs/dbraw/zinc/46/21/35/600462135.db2.gz PRZJRQSRMUEPQK-UHFFFAOYSA-N -1 0 335.448 3.787 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1OC1CCC1 ZINC000675999818 600474547 /nfs/dbraw/zinc/47/45/47/600474547.db2.gz IFRPNLNMUDFQOG-UHFFFAOYSA-N -1 0 325.364 3.877 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C[C@H]2OCCc3ccccc32)cc1Cl ZINC000238170074 600477036 /nfs/dbraw/zinc/47/70/36/600477036.db2.gz NRAWJEUZQQARSW-MRXNPFEDSA-N -1 0 345.782 3.681 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cc2cc3ccccc3o2)cc1Cl ZINC000739342279 600477322 /nfs/dbraw/zinc/47/73/22/600477322.db2.gz UBUFPQXXNFKIRL-UHFFFAOYSA-N -1 0 329.739 3.966 20 0 EHADRM Cn1c(Cl)c(Cl)cc1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000048807305 600477632 /nfs/dbraw/zinc/47/76/32/600477632.db2.gz CFUMXINEWVAAPA-UHFFFAOYSA-N -1 0 347.585 3.936 20 0 EHADRM Cc1cc2ccccc2n1CC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000237813878 600478034 /nfs/dbraw/zinc/47/80/34/600478034.db2.gz CDXFHFGTKFLYPG-UHFFFAOYSA-N -1 0 342.782 3.940 20 0 EHADRM COc1cc(Cl)ccc1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000237171377 600478383 /nfs/dbraw/zinc/47/83/83/600478383.db2.gz KSJYJPHGBBATEA-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000263486926 600481483 /nfs/dbraw/zinc/48/14/83/600481483.db2.gz MYFLEBHFACJCIB-JTQLQIEISA-N -1 0 342.848 3.781 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1cccc(SC(F)F)c1 ZINC000739668203 600481488 /nfs/dbraw/zinc/48/14/88/600481488.db2.gz HACCKBFNRMPFFF-UHFFFAOYSA-N -1 0 332.372 3.768 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000238004881 600483072 /nfs/dbraw/zinc/48/30/72/600483072.db2.gz GOMZPWVMTPIMGZ-UHFFFAOYSA-N -1 0 333.771 3.836 20 0 EHADRM CC[C@@H](C)[C@H]1CCCCN1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736879972 600483443 /nfs/dbraw/zinc/48/34/43/600483443.db2.gz JRNWSJHXJKEJNX-CZUORRHYSA-N -1 0 333.432 3.887 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)C1CC1 ZINC000262468980 600483853 /nfs/dbraw/zinc/48/38/53/600483853.db2.gz ZNCHOEKTNUUGDS-HXUWFJFHSA-N -1 0 337.419 3.893 20 0 EHADRM C[C@@H]1SCCN(C(=O)c2ccc(C(=O)[O-])s2)[C@@H]1c1ccccc1 ZINC000237386783 600488210 /nfs/dbraw/zinc/48/82/10/600488210.db2.gz IVYXCONGMDYAAU-NHYWBVRUSA-N -1 0 347.461 3.765 20 0 EHADRM C[C@@H]1SCCN(C(=O)c2ccc(C(=O)[O-])s2)[C@H]1c1ccccc1 ZINC000237386805 600488371 /nfs/dbraw/zinc/48/83/71/600488371.db2.gz IVYXCONGMDYAAU-XHDPSFHLSA-N -1 0 347.461 3.765 20 0 EHADRM Cc1ccc([C@H]2CCCCCN2C(=O)NC2CCC(C(=O)[O-])CC2)o1 ZINC000263483257 600495547 /nfs/dbraw/zinc/49/55/47/600495547.db2.gz OOVYSONFRJSURW-UYSNPLJNSA-N -1 0 348.443 3.858 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)c1ccccc1OC1CCC1 ZINC000738965673 600505206 /nfs/dbraw/zinc/50/52/06/600505206.db2.gz HWVYYSGMELVZOA-UHFFFAOYSA-N -1 0 330.336 3.575 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCc2ccccc2OC2CCC2)cc1 ZINC000738501282 600506091 /nfs/dbraw/zinc/50/60/91/600506091.db2.gz SWIMDIVRMFLPOB-UHFFFAOYSA-N -1 0 340.379 3.638 20 0 EHADRM CS[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000318637611 600508119 /nfs/dbraw/zinc/50/81/19/600508119.db2.gz CRJJQLFIBLPKIQ-MWLCHTKSSA-N -1 0 342.848 3.834 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@@H]2CCc3cc(F)ccc32)cc1Cl ZINC000739464577 600511300 /nfs/dbraw/zinc/51/13/00/600511300.db2.gz GHPDKCGKUYLQNZ-OAHLLOKOSA-N -1 0 348.761 3.986 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)CSc1ccc2ccccc2c1)C(=O)[O-] ZINC000675986986 600520579 /nfs/dbraw/zinc/52/05/79/600520579.db2.gz OJPCWGFGJGQMPR-INIZCTEOSA-N -1 0 331.437 3.547 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNc1ccnc(C2CC2)n1 ZINC000740279560 600523491 /nfs/dbraw/zinc/52/34/91/600523491.db2.gz FWFJJRIUFNEDBO-UHFFFAOYSA-N -1 0 325.393 3.879 20 0 EHADRM CSCCCCC(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000738190106 600524684 /nfs/dbraw/zinc/52/46/84/600524684.db2.gz HEVWGTZYHMARSR-UHFFFAOYSA-N -1 0 335.347 3.875 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)CCCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000736241131 600529410 /nfs/dbraw/zinc/52/94/10/600529410.db2.gz GIJYPPBEKXMTSM-AWEZNQCLSA-N -1 0 346.254 3.932 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)NC2CCC(c3ccccc3)CC2)o1 ZINC000739437252 600535005 /nfs/dbraw/zinc/53/50/05/600535005.db2.gz DVXCEZBTUYDXKD-UHFFFAOYSA-N -1 0 342.395 3.503 20 0 EHADRM Cc1ccc(NC(=O)Nc2ccc(C(=O)[O-])cc2)cc1OC(F)F ZINC000738293361 600540660 /nfs/dbraw/zinc/54/06/60/600540660.db2.gz XRVSXBIJLNUUJC-UHFFFAOYSA-N -1 0 336.294 3.939 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)Nc2cccc(SC(F)F)c2)o1 ZINC000739439391 600543590 /nfs/dbraw/zinc/54/35/90/600543590.db2.gz XQYGRNKQUFGVNU-UHFFFAOYSA-N -1 0 342.323 3.614 20 0 EHADRM O=C([O-])CCNC(=O)Nc1ccccc1Oc1ccccc1Cl ZINC000738591117 600547583 /nfs/dbraw/zinc/54/75/83/600547583.db2.gz QOKLKRXBGKRNLZ-UHFFFAOYSA-N -1 0 334.759 3.729 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])s1)c1ncc(-c2ccccc2)o1 ZINC000237604183 600551123 /nfs/dbraw/zinc/55/11/23/600551123.db2.gz ATSAMUJVGSCCES-JTQLQIEISA-N -1 0 342.376 3.592 20 0 EHADRM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000736784399 600551626 /nfs/dbraw/zinc/55/16/26/600551626.db2.gz IJQSVCAPCDTOME-QMTHXVAHSA-N -1 0 325.792 3.572 20 0 EHADRM CN(CCOc1ccccc1Cl)C(=O)c1ccccc1NC(=O)[O-] ZINC000737447662 600567347 /nfs/dbraw/zinc/56/73/47/600567347.db2.gz FRJYUUQELPMIBX-UHFFFAOYSA-N -1 0 348.786 3.581 20 0 EHADRM CCC[C@](C)(NC(=O)c1ccc(C)c(Oc2ccncc2)c1)C(=O)[O-] ZINC000736960248 600570507 /nfs/dbraw/zinc/57/05/07/600570507.db2.gz NXJSXTBGCGTXCI-IBGZPJMESA-N -1 0 342.395 3.556 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)NCCc1cccc2ccccc21 ZINC000740045795 600571292 /nfs/dbraw/zinc/57/12/92/600571292.db2.gz KYPRQWRKYYHREC-UHFFFAOYSA-N -1 0 334.375 3.902 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1cccc(Oc2ccnc3ccccc32)c1 ZINC000739553104 600579911 /nfs/dbraw/zinc/57/99/11/600579911.db2.gz MJPQYWOAUXCVJR-HZPDHXFCSA-N -1 0 348.358 3.686 20 0 EHADRM C[C@H](CC(=O)[O-])S[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000736552607 600583602 /nfs/dbraw/zinc/58/36/02/600583602.db2.gz NWNFVYRUDALLNI-MXWKQRLJSA-N -1 0 329.849 3.502 20 0 EHADRM C[C@@H](CC(=O)[O-])SC[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000736553091 600585182 /nfs/dbraw/zinc/58/51/82/600585182.db2.gz RUZVMBHHWMWFPT-YOEHRIQHSA-N -1 0 346.448 3.690 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(C)(C)c1cccc(F)c1 ZINC000237749676 600585538 /nfs/dbraw/zinc/58/55/38/600585538.db2.gz YMRLCPUIJYVTLI-UHFFFAOYSA-N -1 0 345.370 3.514 20 0 EHADRM COC(=O)c1sc2cccc(F)c2c1CS[C@H](C)CC(=O)[O-] ZINC000737717492 600588732 /nfs/dbraw/zinc/58/87/32/600588732.db2.gz CKIKXPORFQMJCQ-MRVPVSSYSA-N -1 0 342.413 3.923 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2(c3ccccc3F)CC2)cc1Cl ZINC000238165999 600588954 /nfs/dbraw/zinc/58/89/54/600588954.db2.gz QBXSIDBGFLLQKN-UHFFFAOYSA-N -1 0 333.746 3.848 20 0 EHADRM CCOC(=O)c1c(C)c2ccccc2nc1CS[C@@H](C)CC(=O)[O-] ZINC000737149553 600589629 /nfs/dbraw/zinc/58/96/29/600589629.db2.gz WOMNYJXDRJFZPL-NSHDSACASA-N -1 0 347.436 3.816 20 0 EHADRM C[C@H](CC(=O)[O-])S[C@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000736551852 600590045 /nfs/dbraw/zinc/59/00/45/600590045.db2.gz LBWZQTIPALMFPQ-RKDXNWHRSA-N -1 0 335.347 3.629 20 0 EHADRM C[C@@H](CC(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1 ZINC000736544419 600591163 /nfs/dbraw/zinc/59/11/63/600591163.db2.gz GNGQBMLTNKCKBR-SCLBCKFNSA-N -1 0 329.371 3.604 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)NCC1(Sc2ccccc2)CC1 ZINC000740045616 600591309 /nfs/dbraw/zinc/59/13/09/600591309.db2.gz IOBGDUHMCJLALR-UHFFFAOYSA-N -1 0 342.420 3.831 20 0 EHADRM Cc1nn(Cc2ccccc2)c(Cl)c1CS[C@H](C)CC(=O)[O-] ZINC000738379638 600592297 /nfs/dbraw/zinc/59/22/97/600592297.db2.gz SEWPSGVCCOYJBK-LLVKDONJSA-N -1 0 338.860 3.990 20 0 EHADRM CN(C(=O)c1ccc(C(F)(F)F)cc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737337448 600592523 /nfs/dbraw/zinc/59/25/23/600592523.db2.gz YVYQBTOPPDQRFD-AWEZNQCLSA-N -1 0 337.297 3.603 20 0 EHADRM CN(C(=O)c1ccccc1C(F)(F)F)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737340227 600593044 /nfs/dbraw/zinc/59/30/44/600593044.db2.gz DSRQISBRZFQKGV-CQSZACIVSA-N -1 0 337.297 3.603 20 0 EHADRM C[C@@H](NC(=O)CS[C@@H](C)CC(=O)[O-])c1cccc2ccccc21 ZINC000736550301 600594445 /nfs/dbraw/zinc/59/44/45/600594445.db2.gz FAUMDZRDMLZNBW-QWHCGFSZSA-N -1 0 331.437 3.613 20 0 EHADRM C[C@H](CSCc1nnc(-c2c(Cl)cccc2Cl)o1)C(=O)[O-] ZINC000736618374 600595121 /nfs/dbraw/zinc/59/51/21/600595121.db2.gz OTJPIEYBOZGVHA-SSDOTTSWSA-N -1 0 347.223 3.997 20 0 EHADRM CN(C(=O)CCc1cccc(Cl)c1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737321372 600601433 /nfs/dbraw/zinc/60/14/33/600601433.db2.gz AFJTWWKIENOCRG-KRWDZBQOSA-N -1 0 331.799 3.557 20 0 EHADRM CC(C)[C@H](CC(=O)N(CC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000736351421 600602319 /nfs/dbraw/zinc/60/23/19/600602319.db2.gz FLJMOOVMZKQJSS-SFHVURJKSA-N -1 0 325.408 3.934 20 0 EHADRM CCC[C@@H](C)C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000262710370 600602498 /nfs/dbraw/zinc/60/24/98/600602498.db2.gz FGHBJNXDCIEVDN-PBHICJAKSA-N -1 0 327.424 3.636 20 0 EHADRM CN(C(=O)c1cc(Cl)cc(Cl)c1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737333791 600602955 /nfs/dbraw/zinc/60/29/55/600602955.db2.gz NWILBLKDNOOSMT-AWEZNQCLSA-N -1 0 338.190 3.891 20 0 EHADRM C/C(=C/C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-])C1CC1 ZINC000236648952 600603140 /nfs/dbraw/zinc/60/31/40/600603140.db2.gz PWQBNYQNBHZUOU-LMICACPXSA-N -1 0 337.419 3.556 20 0 EHADRM CCCCN(C)c1ccc(C(=O)N(CC(=O)[O-])c2ccccc2)cc1 ZINC000337730072 600604530 /nfs/dbraw/zinc/60/45/30/600604530.db2.gz DWVFRVDHRXVPHP-UHFFFAOYSA-N -1 0 340.423 3.654 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc(Oc2ccccc2)nc1)c1ccccc1 ZINC000156332833 600606821 /nfs/dbraw/zinc/60/68/21/600606821.db2.gz IXBHWXYMMAGVBA-UHFFFAOYSA-N -1 0 348.358 3.605 20 0 EHADRM CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000237107239 600608517 /nfs/dbraw/zinc/60/85/17/600608517.db2.gz CTQQVIWMXXMBAA-ZBEGNZNMSA-N -1 0 347.798 3.544 20 0 EHADRM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000237102629 600608528 /nfs/dbraw/zinc/60/85/28/600608528.db2.gz CTQQVIWMXXMBAA-BZNIZROVSA-N -1 0 347.798 3.544 20 0 EHADRM CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cccc(C(=O)[O-])c1 ZINC000237107389 600608550 /nfs/dbraw/zinc/60/85/50/600608550.db2.gz DXRWSWYWKNPSGC-ZBEGNZNMSA-N -1 0 347.798 3.544 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N(C)[C@H](C)c3cccnc3)c12 ZINC000738362869 600611263 /nfs/dbraw/zinc/61/12/63/600611263.db2.gz SWOYUXBIAUXABZ-SNVBAGLBSA-N -1 0 342.424 3.599 20 0 EHADRM C[C@@H](C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-])C(C)(C)C ZINC000439947702 600617870 /nfs/dbraw/zinc/61/78/70/600617870.db2.gz RVIADKYATBRHOG-KSSFIOAISA-N -1 0 341.451 3.882 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2cc(-c3ccccc3)no2)c1 ZINC000325368637 600620619 /nfs/dbraw/zinc/62/06/19/600620619.db2.gz JNINQWYYKVMTHW-UHFFFAOYSA-N -1 0 342.738 3.946 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)[C@H]2Cc3ccccc3S2)c1 ZINC000388240471 600623358 /nfs/dbraw/zinc/62/33/58/600623358.db2.gz ZNYUOSDFGTTXDY-CQSZACIVSA-N -1 0 333.796 3.694 20 0 EHADRM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000736784845 600623553 /nfs/dbraw/zinc/62/35/53/600623553.db2.gz LNQXHDLSADBGRM-QMTHXVAHSA-N -1 0 325.792 3.572 20 0 EHADRM Cc1cccc(O[C@@H](C)C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000322641332 600624466 /nfs/dbraw/zinc/62/44/66/600624466.db2.gz YBKGALXLNDVBLW-NSHDSACASA-N -1 0 333.771 3.753 20 0 EHADRM Cc1c(NC(=O)NCCc2cc3ccccc3o2)cccc1C(=O)[O-] ZINC000738306512 600625008 /nfs/dbraw/zinc/62/50/08/600625008.db2.gz QIHXATFJWYBQPD-UHFFFAOYSA-N -1 0 338.363 3.804 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)NCCc2ccc(C(=O)[O-])cc2)c1C ZINC000738691205 600643036 /nfs/dbraw/zinc/64/30/36/600643036.db2.gz NBUPFGICYIAVPW-OAHLLOKOSA-N -1 0 340.423 3.605 20 0 EHADRM CCN(C(=O)[C@H]1C[C@H]1c1cccc(OC)c1)c1ccccc1C(=O)[O-] ZINC000737052045 600646507 /nfs/dbraw/zinc/64/65/07/600646507.db2.gz FCNWZZBRKXJFGH-IRXDYDNUSA-N -1 0 339.391 3.550 20 0 EHADRM CCN(C(=O)C[C@H]1CCOc2ccccc21)c1ccccc1C(=O)[O-] ZINC000737053383 600647804 /nfs/dbraw/zinc/64/78/04/600647804.db2.gz SZFDSNVJMZMADF-CQSZACIVSA-N -1 0 339.391 3.694 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000827587004 600653159 /nfs/dbraw/zinc/65/31/59/600653159.db2.gz YJPNQEKXMITUKB-ZBEGNZNMSA-N -1 0 334.318 3.513 20 0 EHADRM CC(C)c1nc2cc(NC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)ccc2o1 ZINC000392165246 600655109 /nfs/dbraw/zinc/65/51/09/600655109.db2.gz DCQFSNIYLLKAQB-RYUDHWBXSA-N -1 0 330.384 3.781 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000832589524 600660162 /nfs/dbraw/zinc/66/01/62/600660162.db2.gz QJKUBOWVFCSAFV-KPZWWZAWSA-N -1 0 346.354 3.697 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000108655943 600661251 /nfs/dbraw/zinc/66/12/51/600661251.db2.gz GXAWPSKZYCAENZ-IUCAKERBSA-N -1 0 333.281 3.674 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N(C2CC2)[C@H]2CCc3ccccc32)C1 ZINC000245708954 600661815 /nfs/dbraw/zinc/66/18/15/600661815.db2.gz MYYKOSJWSPOWGY-RKVPGOIHSA-N -1 0 327.424 3.556 20 0 EHADRM CC(C)c1ccc([C@H]2C[C@H]2C(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000262049546 600662013 /nfs/dbraw/zinc/66/20/13/600662013.db2.gz IGLDSMOPNPGVCI-OPQOLIRYSA-N -1 0 329.440 3.673 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc(Nc3ccccc3)nc2)C1 ZINC000739573956 600665048 /nfs/dbraw/zinc/66/50/48/600665048.db2.gz QQHRNVWDQJTBDX-KGLIPLIRSA-N -1 0 339.395 3.655 20 0 EHADRM O=C([O-])[C@@H](OC(=O)C1CCSCC1)c1ccc(Cl)cc1Cl ZINC000833351526 600668429 /nfs/dbraw/zinc/66/84/29/600668429.db2.gz RSORJTPPHJFBTB-LBPRGKRZSA-N -1 0 349.235 3.806 20 0 EHADRM CC(C)c1cc(C(=O)Oc2ccccc2CC(=O)[O-])nn1C(C)(C)C ZINC000736516020 600675174 /nfs/dbraw/zinc/67/51/74/600675174.db2.gz WQKICTGQMAIOFP-UHFFFAOYSA-N -1 0 344.411 3.608 20 0 EHADRM CCc1ocnc1C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000830402930 600679578 /nfs/dbraw/zinc/67/95/78/600679578.db2.gz DYWUATBNEQJJEQ-LBPRGKRZSA-N -1 0 344.150 3.527 20 0 EHADRM CC(C)(C)c1ccc(OS(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000736298841 600686558 /nfs/dbraw/zinc/68/65/58/600686558.db2.gz FRHXKYJDQQTJFG-UHFFFAOYSA-N -1 0 340.422 3.512 20 0 EHADRM CCCN(C(=O)c1ccc(NC(=O)[O-])cc1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000737008159 600692759 /nfs/dbraw/zinc/69/27/59/600692759.db2.gz DOCPBWNEBFZJRQ-CVEARBPZSA-N -1 0 348.443 3.832 20 0 EHADRM O=C([O-])c1cc(S(=O)(=O)Oc2ccc(C3CCCCC3)cc2)c[nH]1 ZINC000833306148 600692884 /nfs/dbraw/zinc/69/28/84/600692884.db2.gz HJIYMBLXFGLGMJ-UHFFFAOYSA-N -1 0 349.408 3.528 20 0 EHADRM CCCN(C(=O)c1cccc(NC(=O)[O-])c1)[C@H]1C[C@H](OCC)C1(C)C ZINC000737008009 600692870 /nfs/dbraw/zinc/69/28/70/600692870.db2.gz AQINRAOKMQQTMH-HOTGVXAUSA-N -1 0 348.443 3.832 20 0 EHADRM O=C([O-])c1ccc(-c2noc([C@H]3C[C@@H]3c3cc(F)ccc3F)n2)cc1 ZINC000833309056 600693222 /nfs/dbraw/zinc/69/32/22/600693222.db2.gz XKKNBVGOOJSYSP-OCCSQVGLSA-N -1 0 342.301 3.984 20 0 EHADRM Cc1ccc(-c2nc(CN[C@@H](C(=O)[O-])c3ccc(F)cc3)co2)cc1 ZINC000832908000 600695564 /nfs/dbraw/zinc/69/55/64/600695564.db2.gz DRIFVMCAYCLFEV-QGZVFWFLSA-N -1 0 340.354 3.705 20 0 EHADRM O=C([O-])c1cccc(-c2noc([C@H]3C[C@@H]3c3cc(F)ccc3F)n2)c1 ZINC000833327528 600697223 /nfs/dbraw/zinc/69/72/23/600697223.db2.gz BBRUAMCDMVCTSR-OCCSQVGLSA-N -1 0 342.301 3.984 20 0 EHADRM CCC[C@H]1[C@@H](C)CCCN1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000829244855 600709229 /nfs/dbraw/zinc/70/92/29/600709229.db2.gz BZMBHPMZBIMXRQ-YOEHRIQHSA-N -1 0 332.444 3.538 20 0 EHADRM O=C([O-])c1occc1COC(=O)C1CCC(c2ccccc2)CC1 ZINC000833345952 600715068 /nfs/dbraw/zinc/71/50/68/600715068.db2.gz GOYDSTGYISYAQN-UHFFFAOYSA-N -1 0 328.364 3.995 20 0 EHADRM O=C([O-])c1cccc(COC(=O)c2ccccc2Oc2ccccn2)c1 ZINC000740226784 600735353 /nfs/dbraw/zinc/73/53/53/600735353.db2.gz LXQYXIJCIYEGPA-UHFFFAOYSA-N -1 0 349.342 3.929 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@@H]1C[C@]12CCCc1ccccc12)c1ccccc1 ZINC000833170584 600738167 /nfs/dbraw/zinc/73/81/67/600738167.db2.gz QPTLWIMZJZJIJZ-UEXGIBASSA-N -1 0 336.387 3.650 20 0 EHADRM Cc1cc(C)cc(CCNC(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC000738363647 600746955 /nfs/dbraw/zinc/74/69/55/600746955.db2.gz MFGMLCNLCHZTHO-UHFFFAOYSA-N -1 0 330.359 3.505 20 0 EHADRM CC[C@H]1CCC[C@H](NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C1 ZINC000736938907 600747403 /nfs/dbraw/zinc/74/74/03/600747403.db2.gz AMRQLKDVKZYAEC-BBRMVZONSA-N -1 0 333.432 3.887 20 0 EHADRM C[C@@H](N[C@@H](C(=O)[O-])c1ccccc1F)c1nc2ccccc2s1 ZINC000827718277 600750095 /nfs/dbraw/zinc/75/00/95/600750095.db2.gz PWKWFZRBEXJWMI-MEBBXXQBSA-N -1 0 330.384 3.912 20 0 EHADRM CC1(C)CCCN(C(=O)NCCc2ccc(NC(=O)[O-])cc2)CC1 ZINC000828065252 600751752 /nfs/dbraw/zinc/75/17/52/600751752.db2.gz VGSPVIXJOSPCFS-UHFFFAOYSA-N -1 0 333.432 3.541 20 0 EHADRM CCO[C@H]1C[C@H](OC(=O)CCc2ccc(C(=O)[O-])cc2)C12CCCC2 ZINC000737164449 600756172 /nfs/dbraw/zinc/75/61/72/600756172.db2.gz DUCIMWAUKSNDGP-IRXDYDNUSA-N -1 0 346.423 3.598 20 0 EHADRM Cc1ccc2cccc(C(=O)Nc3ccc(N(C)C(=O)[O-])cc3)c2n1 ZINC000738297303 600771046 /nfs/dbraw/zinc/77/10/46/600771046.db2.gz JNMATRSHIIHTEX-UHFFFAOYSA-N -1 0 335.363 3.910 20 0 EHADRM CCN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000055679458 600773529 /nfs/dbraw/zinc/77/35/29/600773529.db2.gz LJNSLPHRCHOODK-UHFFFAOYSA-N -1 0 347.436 3.525 20 0 EHADRM C[C@H]1CC[C@H](CCC(=O)Nc2cc3ccccc3cc2C(=O)[O-])O1 ZINC000237710488 600786819 /nfs/dbraw/zinc/78/68/19/600786819.db2.gz AXWZIMJPODWAOK-SWLSCSKDSA-N -1 0 327.380 3.824 20 0 EHADRM CC[C@@](NC(=O)c1cccc2ccc(C)nc21)(C(=O)[O-])c1ccccc1 ZINC000431427217 600786952 /nfs/dbraw/zinc/78/69/52/600786952.db2.gz MLWGLNQLVHLOIJ-NRFANRHFSA-N -1 0 348.402 3.663 20 0 EHADRM Cc1ccc(S[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)cc1C ZINC000832957513 600804582 /nfs/dbraw/zinc/80/45/82/600804582.db2.gz KYJXNIQKCPCBPE-CQSZACIVSA-N -1 0 347.461 3.961 20 0 EHADRM Cc1cc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)c(C)s1 ZINC000776674149 600805480 /nfs/dbraw/zinc/80/54/80/600805480.db2.gz PYEWRPWMZYVHRE-CQSZACIVSA-N -1 0 337.828 3.964 20 0 EHADRM Cc1cccc(O[C@H](C)CNc2nc(Cl)c(C(=O)[O-])s2)c1 ZINC000832972483 600820345 /nfs/dbraw/zinc/82/03/45/600820345.db2.gz CCHFBSVINQIVHY-SECBINFHSA-N -1 0 326.805 3.683 20 0 EHADRM O=C([O-])[C@H]1CCCN(c2nc(-c3cccs3)nc3ccccc32)C1 ZINC000262074372 600823695 /nfs/dbraw/zinc/82/36/95/600823695.db2.gz CWXXOSWQCXIITL-LBPRGKRZSA-N -1 0 339.420 3.659 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)C[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000339361227 600824447 /nfs/dbraw/zinc/82/44/47/600824447.db2.gz PSYADGPNWKZKDQ-ZIBATOQPSA-N -1 0 345.361 3.815 20 0 EHADRM C[C@@H](CC(=O)N(C)CCCC(=O)[O-])c1ccccc1C(F)(F)F ZINC000237520988 600831453 /nfs/dbraw/zinc/83/14/53/600831453.db2.gz NZMUBOGGSDGFKH-NSHDSACASA-N -1 0 331.334 3.522 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)C[C@H](C)c1ccccc1C(F)(F)F ZINC000178074360 600831505 /nfs/dbraw/zinc/83/15/05/600831505.db2.gz PHGBBZVYWAYYMC-NSHDSACASA-N -1 0 331.334 3.521 20 0 EHADRM CCn1c(S[C@@H](C(=O)[O-])c2ccccc2F)nnc1-c1ccco1 ZINC000830416254 600832136 /nfs/dbraw/zinc/83/21/36/600832136.db2.gz NQQZGCMPLVYDON-CYBMUJFWSA-N -1 0 347.371 3.615 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)C[C@H](C)c1ccccc1C(F)(F)F ZINC000237030017 600834375 /nfs/dbraw/zinc/83/43/75/600834375.db2.gz ZGNYMRQSOVAADW-NSHDSACASA-N -1 0 331.334 3.522 20 0 EHADRM O=C([O-])c1ccc(OCCSC(=S)N2CCCC2)c(Cl)c1 ZINC000833322348 600834450 /nfs/dbraw/zinc/83/44/50/600834450.db2.gz LGVUJXRNBNCYPF-UHFFFAOYSA-N -1 0 345.873 3.531 20 0 EHADRM CCc1nnc(S[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)[nH]1 ZINC000830335790 600836378 /nfs/dbraw/zinc/83/63/78/600836378.db2.gz XTVZNLSFNNEUHW-JTQLQIEISA-N -1 0 332.212 3.592 20 0 EHADRM O=C([O-])[C@H](Sc1nccc(C(F)(F)F)n1)c1ccccc1F ZINC000833169649 600836770 /nfs/dbraw/zinc/83/67/70/600836770.db2.gz LPSKOXBCVITBGU-SNVBAGLBSA-N -1 0 332.278 3.553 20 0 EHADRM C[C@@H](CC(=O)N[C@](C)(C(=O)[O-])C1CC1)c1ccccc1C(F)(F)F ZINC000237524205 600844562 /nfs/dbraw/zinc/84/45/62/600844562.db2.gz GXWFZMDOIHZQOM-QFYYESIMSA-N -1 0 343.345 3.569 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)Cc2cccc3ccccc32)c2ccccc21 ZINC000739646629 600848291 /nfs/dbraw/zinc/84/82/91/600848291.db2.gz NPAHAKAHLTYUMW-KRWDZBQOSA-N -1 0 345.398 3.987 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000736622888 600851797 /nfs/dbraw/zinc/85/17/97/600851797.db2.gz WJTUSJIXNBBHLT-UKRRQHHQSA-N -1 0 341.382 3.609 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)c2cc(-c3ccccc3)no2)c2ccccc21 ZINC000739646302 600852150 /nfs/dbraw/zinc/85/21/50/600852150.db2.gz JVRCCAQQMNVEJC-CQSZACIVSA-N -1 0 348.358 3.560 20 0 EHADRM Cc1cc2cc(C(=O)NC3(C(=O)[O-])CCCCCC3)oc2cc1C ZINC000832906245 600854392 /nfs/dbraw/zinc/85/43/92/600854392.db2.gz XSQKVKRLSUFKNA-UHFFFAOYSA-N -1 0 329.396 3.957 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)c2cc(Cl)ccc2F)c2ccccc21 ZINC000321500900 600857391 /nfs/dbraw/zinc/85/73/91/600857391.db2.gz ZAUJAWFGPGVNFT-JTQLQIEISA-N -1 0 333.746 3.698 20 0 EHADRM CCOc1cc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)ccc1C ZINC000737183225 600859572 /nfs/dbraw/zinc/85/95/72/600859572.db2.gz VZGVNBLZJFKVAC-HNNXBMFYSA-N -1 0 339.391 3.612 20 0 EHADRM Cc1nc2ccccc2cc1C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000738876604 600860885 /nfs/dbraw/zinc/86/08/85/600860885.db2.gz ZSYSJOHBGWKDOV-OAHLLOKOSA-N -1 0 346.386 3.762 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)CSc2ccc(F)cc2)c2ccccc21 ZINC000325324980 600862826 /nfs/dbraw/zinc/86/28/26/600862826.db2.gz FEPPUSJBYFAVQR-LBPRGKRZSA-N -1 0 345.395 3.523 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N[C@H](C)C1CCCCC1)C(=O)[O-] ZINC000237570907 600865229 /nfs/dbraw/zinc/86/52/29/600865229.db2.gz LCIPGRDSZHJQNH-CHWSQXEVSA-N -1 0 335.469 3.950 20 0 EHADRM Cc1cc2sc(NC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)nc2c(C)c1 ZINC000832875055 600873453 /nfs/dbraw/zinc/87/34/53/600873453.db2.gz OSVXYWDPMOBSOM-NWDGAFQWSA-N -1 0 332.425 3.743 20 0 EHADRM O=C([O-])[C@H](NC(=O)CCCC1CCCC1)c1cc(F)ccc1F ZINC000766962368 600873841 /nfs/dbraw/zinc/87/38/41/600873841.db2.gz XSKSFTIFYKKFRN-MRXNPFEDSA-N -1 0 325.355 3.567 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccccc2SC(F)F)C1 ZINC000108654612 600873883 /nfs/dbraw/zinc/87/38/83/600873883.db2.gz KCIINGJUODWYDP-UWVGGRQHSA-N -1 0 329.368 3.831 20 0 EHADRM C[C@H](C(=O)Nc1cccc(CSCCC(=O)[O-])c1)C(F)(F)F ZINC000826021537 600877029 /nfs/dbraw/zinc/87/70/29/600877029.db2.gz RTZBVHFTKRLRMY-SECBINFHSA-N -1 0 335.347 3.531 20 0 EHADRM C[C@@H](Oc1cccc(F)c1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000262127959 600878830 /nfs/dbraw/zinc/87/88/30/600878830.db2.gz CRNURSQXZOWZPG-GFCCVEGCSA-N -1 0 345.370 3.594 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1Br ZINC000111476977 600879093 /nfs/dbraw/zinc/87/90/93/600879093.db2.gz NFUUFUBONZQACW-MNOVXSKESA-N -1 0 340.217 3.587 20 0 EHADRM CCOc1ccc(CC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC000262308170 600879921 /nfs/dbraw/zinc/87/99/21/600879921.db2.gz YMTPSEXAGDRQDT-UHFFFAOYSA-N -1 0 341.407 3.629 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)COc2ccccc2Cl)cc1 ZINC000391802319 600881997 /nfs/dbraw/zinc/88/19/97/600881997.db2.gz OXNHTTPNSOMRIG-UHFFFAOYSA-N -1 0 347.798 3.720 20 0 EHADRM Cc1ccc(CC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1C ZINC000325482975 600882203 /nfs/dbraw/zinc/88/22/03/600882203.db2.gz XYZDGKZKXROVBJ-UHFFFAOYSA-N -1 0 325.408 3.847 20 0 EHADRM Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccc(C(=O)[O-])s1 ZINC000832922470 600900901 /nfs/dbraw/zinc/90/09/01/600900901.db2.gz YFBJSGXTORYWQK-UHFFFAOYSA-N -1 0 333.409 3.896 20 0 EHADRM Cc1[nH]c(C(=O)N2C[C@H](C)C[C@@H]2c2ccccc2F)c(C)c1C(=O)[O-] ZINC000832842880 600903908 /nfs/dbraw/zinc/90/39/08/600903908.db2.gz FQKMKGCRQRPGCW-MEBBXXQBSA-N -1 0 344.386 3.692 20 0 EHADRM CCCC(=O)Nc1cccc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1C ZINC000829183996 600911425 /nfs/dbraw/zinc/91/14/25/600911425.db2.gz DUFCGJSWOOGHFB-KBPBESRZSA-N -1 0 346.427 3.563 20 0 EHADRM CCCN(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)[C@@H](C)c1ccccc1OC ZINC000829453779 600914091 /nfs/dbraw/zinc/91/40/91/600914091.db2.gz YUZFFJCUDKOFES-XHSDSOJGSA-N -1 0 347.455 3.886 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@@H](C)Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000317186157 600918693 /nfs/dbraw/zinc/91/86/93/600918693.db2.gz HNZKMWZSFIRFQY-VXGBXAGGSA-N -1 0 343.876 3.684 20 0 EHADRM CC(C)C[C@@H](CNC(=O)c1cc(C2CC2)nc2ccccc21)C(=O)[O-] ZINC000431522532 600918866 /nfs/dbraw/zinc/91/88/66/600918866.db2.gz IMJOILLAJCBHIC-AWEZNQCLSA-N -1 0 340.423 3.589 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@H](C)Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000317186155 600918888 /nfs/dbraw/zinc/91/88/88/600918888.db2.gz HNZKMWZSFIRFQY-NWDGAFQWSA-N -1 0 343.876 3.684 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccc(Oc3ccccc3)cn2)C1 ZINC000833188236 600931493 /nfs/dbraw/zinc/93/14/93/600931493.db2.gz WZQYBXVKJUOSOX-ZIAGYGMSSA-N -1 0 340.379 3.703 20 0 EHADRM CO[C@@H](CNC(=O)c1ccccc1NC(=O)[O-])c1cccc(Cl)c1 ZINC000831518624 600933552 /nfs/dbraw/zinc/93/35/52/600933552.db2.gz BLPZJZBTZOVCSN-HNNXBMFYSA-N -1 0 348.786 3.547 20 0 EHADRM Cc1ccc(SCC(=O)N(CCC(=O)[O-])c2cccc(F)c2)cc1 ZINC000738667859 600939303 /nfs/dbraw/zinc/93/93/03/600939303.db2.gz JCFYXKWEEIOLNE-UHFFFAOYSA-N -1 0 347.411 3.734 20 0 EHADRM Cc1oc(COC(=O)c2ccc(OC3CCC3)cc2)cc1C(=O)[O-] ZINC000833026538 600941979 /nfs/dbraw/zinc/94/19/79/600941979.db2.gz JFJXDIBUHXNXBC-UHFFFAOYSA-N -1 0 330.336 3.575 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)OCc1cccc(C(=O)[O-])c1 ZINC000829009566 600944782 /nfs/dbraw/zinc/94/47/82/600944782.db2.gz HGVYESZZTFSMDB-XYPHTWIQSA-N -1 0 334.412 3.802 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(F)cc1Cl ZINC000245684408 600961407 /nfs/dbraw/zinc/96/14/07/600961407.db2.gz JILNLGWKJJQFPT-GARJFASQSA-N -1 0 327.783 3.547 20 0 EHADRM O=C([O-])C[C@@H]1CN(CCCOCCc2ccccc2)c2ccccc21 ZINC000739654840 600963118 /nfs/dbraw/zinc/96/31/18/600963118.db2.gz YDOJPHDSRYNDSD-GOSISDBHSA-N -1 0 339.435 3.714 20 0 EHADRM C[C@@H](C(=O)Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1)C(F)(F)F ZINC000826026957 600963826 /nfs/dbraw/zinc/96/38/26/600963826.db2.gz RYUXDGZGXRBWQL-ZETCQYMHSA-N -1 0 344.314 3.645 20 0 EHADRM Cc1sc(NC(=O)[C@H]2Cc3cc(C)c(C)cc3O2)c(C(=O)[O-])c1C ZINC000832905229 600964211 /nfs/dbraw/zinc/96/42/11/600964211.db2.gz ARFWRBGQRMOIPR-CQSZACIVSA-N -1 0 345.420 3.622 20 0 EHADRM Cc1ccc([C@H]2OCCC[C@H]2C(=O)Oc2cccc(C(=O)[O-])c2)cc1 ZINC000832928810 600965348 /nfs/dbraw/zinc/96/53/48/600965348.db2.gz WWKKHYKXVSTNQG-QZTJIDSGSA-N -1 0 340.375 3.767 20 0 EHADRM O=C([O-])c1sccc1NC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000833348075 600966517 /nfs/dbraw/zinc/96/65/17/600966517.db2.gz NCUIJKGSAMHRMD-SCLBCKFNSA-N -1 0 327.405 3.679 20 0 EHADRM O=C([O-])C[C@@H]1CN(Cc2cnc(-c3ccccc3)nc2)c2ccccc21 ZINC000739654020 600966749 /nfs/dbraw/zinc/96/67/49/600966749.db2.gz QFCUKHPTUDUTPH-QGZVFWFLSA-N -1 0 345.402 3.722 20 0 EHADRM CN(C(=O)c1ccc(OC2CCC2)cc1)c1ccccc1C(=O)[O-] ZINC000830528346 600967317 /nfs/dbraw/zinc/96/73/17/600967317.db2.gz LINROCDNAQOVDI-UHFFFAOYSA-N -1 0 325.364 3.593 20 0 EHADRM CC[C@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)C(C)(C)c1ccccc1 ZINC000245665527 600968560 /nfs/dbraw/zinc/96/85/60/600968560.db2.gz GNONZYUQDCENAS-INMHGKMJSA-N -1 0 331.456 3.750 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N(Cc2ccoc2)C2CCCCC2)C1 ZINC000180017316 600968563 /nfs/dbraw/zinc/96/85/63/600968563.db2.gz SFLYQIAIWJJQFD-HOTGVXAUSA-N -1 0 333.428 3.832 20 0 EHADRM O=C([O-])c1cccc(-c2nc(CSCc3ccon3)cs2)c1 ZINC000833326244 600970565 /nfs/dbraw/zinc/97/05/65/600970565.db2.gz JVBOFZNAVFXROT-UHFFFAOYSA-N -1 0 332.406 3.930 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1ccc(SC(F)F)cc1)C(=O)[O-] ZINC000818622808 600993544 /nfs/dbraw/zinc/99/35/44/600993544.db2.gz DQBIGSPTAYAONZ-JTQLQIEISA-N -1 0 346.399 3.870 20 0 EHADRM Cc1cc(Cl)ccc1NC(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000324265164 600994657 /nfs/dbraw/zinc/99/46/57/600994657.db2.gz KFCWBXPHAWVJTL-CQSZACIVSA-N -1 0 332.787 3.638 20 0 EHADRM CCCc1ncc(C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)s1 ZINC000737046514 600994912 /nfs/dbraw/zinc/99/49/12/600994912.db2.gz FDXPRTUGYQTGJY-UHFFFAOYSA-N -1 0 336.438 3.596 20 0 EHADRM O=C([O-])c1c(NC(=O)[C@H]2Cc3ccccc32)sc2c1CCCC2 ZINC000390311797 600997327 /nfs/dbraw/zinc/99/73/27/600997327.db2.gz CQNHBTDFQLUSOH-ZDUSSCGKSA-N -1 0 327.405 3.604 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cc2cccc(F)c2o1)c1ccccc1 ZINC000675946860 600997346 /nfs/dbraw/zinc/99/73/46/600997346.db2.gz SURBKVLEPYMGNU-CQSZACIVSA-N -1 0 327.311 3.518 20 0 EHADRM O=C([O-])C1(NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CCCC1 ZINC000237950716 601001533 /nfs/dbraw/zinc/00/15/33/601001533.db2.gz TUVPMDSCIJHSTR-OLZOCXBDSA-N -1 0 342.222 3.611 20 0 EHADRM COc1ccc2sc(C(=O)N3CCCC[C@H]3CC(=O)[O-])c(C)c2c1 ZINC000679394147 601004767 /nfs/dbraw/zinc/00/47/67/601004767.db2.gz KSOPQYQKLBUJJX-LBPRGKRZSA-N -1 0 347.436 3.688 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000828901562 601008626 /nfs/dbraw/zinc/00/86/26/601008626.db2.gz WXNJHDTVEDTVJN-KRWDZBQOSA-N -1 0 326.396 3.870 20 0 EHADRM COc1ccc([C@H](C)CCNC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000832220870 601009301 /nfs/dbraw/zinc/00/93/01/601009301.db2.gz JTYLDNGQVHYOKW-CYBMUJFWSA-N -1 0 342.395 3.709 20 0 EHADRM C/C(=C/C(=O)N(CCC(=O)[O-])C(C)C)c1ccccc1C(F)(F)F ZINC000236754516 601011023 /nfs/dbraw/zinc/01/10/23/601011023.db2.gz DJGZVAKMYOXADR-BENRWUELSA-N -1 0 343.345 3.820 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)N2CCC(C3CCCC3)CC2)c1 ZINC000833319341 601011285 /nfs/dbraw/zinc/01/12/85/601011285.db2.gz LZYVJZGQGOIZKK-UHFFFAOYSA-N -1 0 334.391 3.958 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)[C@H](C)c1ccccc1C(F)(F)F ZINC000736199494 601011754 /nfs/dbraw/zinc/01/17/54/601011754.db2.gz JFVBSVBRHKTEBQ-LLVKDONJSA-N -1 0 331.334 3.521 20 0 EHADRM Cc1ccccc1O[C@@H](C)CNC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000832978786 601015796 /nfs/dbraw/zinc/01/57/96/601015796.db2.gz BXOZDMMSIKFSHC-ZDUSSCGKSA-N -1 0 342.395 3.591 20 0 EHADRM C[C@H](CNC(=O)Nc1cccc(NC(=O)[O-])c1)Oc1cccc(F)c1 ZINC000827492537 601022086 /nfs/dbraw/zinc/02/20/86/601022086.db2.gz DFGCWWCXBJUGIT-LLVKDONJSA-N -1 0 347.346 3.505 20 0 EHADRM C[C@H](CNC(=O)Nc1cccc(NC(=O)[O-])c1)Oc1ccccc1F ZINC000827493184 601023072 /nfs/dbraw/zinc/02/30/72/601023072.db2.gz NNOAOYDJXCXGPM-LLVKDONJSA-N -1 0 347.346 3.505 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)Cn1ccc2ccc(Cl)cc21 ZINC000739891789 601024220 /nfs/dbraw/zinc/02/42/20/601024220.db2.gz ISCQUNSXAIUIMB-UHFFFAOYSA-N -1 0 343.766 3.527 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)N[C@@H]2C[C@@H]2Cc2ccccc2)c1 ZINC000833289229 601024359 /nfs/dbraw/zinc/02/43/59/601024359.db2.gz QJBUSJPRXHMJEC-XJKSGUPXSA-N -1 0 325.368 3.529 20 0 EHADRM CC(C)COc1ccccc1NC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000826905976 601027281 /nfs/dbraw/zinc/02/72/81/601027281.db2.gz ZMOLKSKGAUTJBN-CQSZACIVSA-N -1 0 336.432 3.590 20 0 EHADRM CC(C)COc1ccccc1NC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000826905973 601027455 /nfs/dbraw/zinc/02/74/55/601027455.db2.gz ZMOLKSKGAUTJBN-AWEZNQCLSA-N -1 0 336.432 3.590 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CC[C@H](Cc3ccccc3)C2)c(F)c1 ZINC000833319728 601045505 /nfs/dbraw/zinc/04/55/05/601045505.db2.gz NVFJQVYNWGRHAJ-CQSZACIVSA-N -1 0 342.370 3.620 20 0 EHADRM CCC[C@](C)(NC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000362517438 601056803 /nfs/dbraw/zinc/05/68/03/601056803.db2.gz ZSXMUOBPJCTIAJ-PSLIRLAXSA-N -1 0 332.227 3.857 20 0 EHADRM C[C@H](CCOc1ccccc1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000237479387 601058817 /nfs/dbraw/zinc/05/88/17/601058817.db2.gz JZQMZXZTEVKYFT-GFCCVEGCSA-N -1 0 331.343 3.568 20 0 EHADRM C[C@@H](CN(C)C(=O)c1ccccc1Sc1ccccc1)C(=O)[O-] ZINC000237406475 601061360 /nfs/dbraw/zinc/06/13/60/601061360.db2.gz YBVTZDJRVCQPMK-ZDUSSCGKSA-N -1 0 329.421 3.631 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccc(O)cc1)c1ccc(Cl)cc1Cl ZINC000833350018 601062229 /nfs/dbraw/zinc/06/22/29/601062229.db2.gz HTDQTGRDKZJPAF-CYBMUJFWSA-N -1 0 341.146 3.682 20 0 EHADRM CC(C)C[C@@H](CNC(=O)[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000643865230 601063495 /nfs/dbraw/zinc/06/34/95/601063495.db2.gz FHNQFXOKVHJHAT-RYUDHWBXSA-N -1 0 345.361 3.672 20 0 EHADRM CCCCc1ccc(CC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000327394470 601067048 /nfs/dbraw/zinc/06/70/48/601067048.db2.gz ZCIXQJUMLVLJIR-LJQANCHMSA-N -1 0 339.435 3.556 20 0 EHADRM O=C([O-])[C@H](OC(=O)Cc1ccc2c(c1)CCCC2)c1ccccc1F ZINC000833117156 601067068 /nfs/dbraw/zinc/06/70/68/601067068.db2.gz CXIGRTAOEJJCDH-LJQANCHMSA-N -1 0 342.366 3.616 20 0 EHADRM CC/C(=C\C(=O)NCc1ccc(C(=O)[O-])o1)c1cccc(Cl)c1 ZINC000828549732 601067549 /nfs/dbraw/zinc/06/75/49/601067549.db2.gz PCTKUUOSLZAVFN-PKNBQFBNSA-N -1 0 333.771 3.741 20 0 EHADRM Cc1[nH]c(C(=O)Nc2ccccc2CC(F)(F)F)c(C)c1C(=O)[O-] ZINC000738155932 601067716 /nfs/dbraw/zinc/06/77/16/601067716.db2.gz GANFLVLBXABAQL-UHFFFAOYSA-N -1 0 340.301 3.687 20 0 EHADRM CCC[C@H](C(=O)NC[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000262466835 601068138 /nfs/dbraw/zinc/06/81/38/601068138.db2.gz JAMQKZRJVNXSIO-ROUUACIJSA-N -1 0 325.408 3.555 20 0 EHADRM CN(Cc1ccc(NC(=O)c2cccc3cnccc32)cc1)C(=O)[O-] ZINC000830835449 601068764 /nfs/dbraw/zinc/06/87/64/601068764.db2.gz GAVIZWXHPVNHTH-UHFFFAOYSA-N -1 0 335.363 3.597 20 0 EHADRM O=C([O-])[C@H](OC(=O)/C=C\Sc1ccccc1)c1ccccc1F ZINC000833093169 601069815 /nfs/dbraw/zinc/06/98/15/601069815.db2.gz UKNXSCZRYPSKKJ-BLIJAFNYSA-N -1 0 332.352 3.801 20 0 EHADRM O=C([O-])[C@H](OC(=O)/C=C/Sc1ccccc1)c1ccccc1F ZINC000833093171 601070268 /nfs/dbraw/zinc/07/02/68/601070268.db2.gz UKNXSCZRYPSKKJ-SIFUEBAJSA-N -1 0 332.352 3.801 20 0 EHADRM CCCn1ccc2ccc(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])cc21 ZINC000829585351 601071057 /nfs/dbraw/zinc/07/10/57/601071057.db2.gz QFJCOBZFZBJUJB-HNNXBMFYSA-N -1 0 345.443 3.920 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccc(-n2cccc2)cc1)c1ccccc1F ZINC000833351973 601076296 /nfs/dbraw/zinc/07/62/96/601076296.db2.gz RDUQIFGTURQYNP-QGZVFWFLSA-N -1 0 339.322 3.599 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cccc3cnccc32)cc1 ZINC000826127187 601076567 /nfs/dbraw/zinc/07/65/67/601076567.db2.gz PNHMBIAPFSJYEH-UHFFFAOYSA-N -1 0 334.375 3.849 20 0 EHADRM Cc1cc(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])ccc1OC(C)C ZINC000832895298 601077086 /nfs/dbraw/zinc/07/70/86/601077086.db2.gz PZEVBIFZWZOLLB-CQSZACIVSA-N -1 0 336.432 3.651 20 0 EHADRM Cc1ccccc1CC(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC000832980818 601078028 /nfs/dbraw/zinc/07/80/28/601078028.db2.gz MKUWSLHAZRAJRT-UHFFFAOYSA-N -1 0 332.425 3.628 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)NC[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000262130274 601084087 /nfs/dbraw/zinc/08/40/87/601084087.db2.gz JQPZGVDSVYHHRE-KXBFYZLASA-N -1 0 339.435 3.727 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1ccc(Cl)cc1 ZINC000833180788 601084713 /nfs/dbraw/zinc/08/47/13/601084713.db2.gz XBQMKFLURREWFP-GDBMZVCRSA-N -1 0 335.831 3.836 20 0 EHADRM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000357429564 601085438 /nfs/dbraw/zinc/08/54/38/601085438.db2.gz YJUBQTZSVVDUBH-YVEFUNNKSA-N -1 0 327.355 3.747 20 0 EHADRM C[C@H](CNC(=O)c1ccccc1NC(=O)[O-])Oc1cccc(Cl)c1 ZINC000736605408 601087244 /nfs/dbraw/zinc/08/72/44/601087244.db2.gz GETXHEJSIZUDFH-LLVKDONJSA-N -1 0 348.786 3.627 20 0 EHADRM Cc1ccc(CCNC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC000832930639 601088545 /nfs/dbraw/zinc/08/85/45/601088545.db2.gz OQOREJOUANOWSH-UHFFFAOYSA-N -1 0 340.423 3.721 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N2CC[C@H](c3ccco3)C2)cc1 ZINC000826118695 601095595 /nfs/dbraw/zinc/09/55/95/601095595.db2.gz SDZPMYZOOOUROT-ZDUSSCGKSA-N -1 0 342.395 3.663 20 0 EHADRM CC(C)(NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1nccs1 ZINC000326325957 601097096 /nfs/dbraw/zinc/09/70/96/601097096.db2.gz YVQOWGXWOFIQFE-UHFFFAOYSA-N -1 0 347.440 3.562 20 0 EHADRM C/C(=C/CSc1nnc(Cc2c(F)cccc2Cl)o1)C(=O)[O-] ZINC000736122471 601099719 /nfs/dbraw/zinc/09/97/19/601099719.db2.gz VNDHPFIYKYZXNI-YVMONPNESA-N -1 0 342.779 3.576 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1[nH]c2ccccc2c1Cl)c1ccccc1F ZINC000833349734 601104233 /nfs/dbraw/zinc/10/42/33/601104233.db2.gz FLZOIROIQRUSSR-OAHLLOKOSA-N -1 0 347.729 3.943 20 0 EHADRM CC(C)c1ccc(-c2ncc(CN3CCN(C(=O)[O-])CC3)s2)cc1 ZINC000827113221 601113819 /nfs/dbraw/zinc/11/38/19/601113819.db2.gz YKEXCHWNRSALQY-UHFFFAOYSA-N -1 0 345.468 3.729 20 0 EHADRM CC(C)Oc1cccc(CC(=O)O[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000827058386 601122439 /nfs/dbraw/zinc/12/24/39/601122439.db2.gz DNYIMVGMOSGECZ-GOSISDBHSA-N -1 0 346.354 3.525 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NCCc2ccc(Cl)cc2Cl)C1 ZINC000108654883 601125649 /nfs/dbraw/zinc/12/56/49/601125649.db2.gz OODMHAPIJHSNFU-NWDGAFQWSA-N -1 0 344.238 3.543 20 0 EHADRM Cc1cc(Br)ccc1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000108654583 601125746 /nfs/dbraw/zinc/12/57/46/601125746.db2.gz PFKPVRUGJMBKIY-WDEREUQCSA-N -1 0 340.217 3.587 20 0 EHADRM Cc1cnc([C@H](C)NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)s1 ZINC000326229041 601131893 /nfs/dbraw/zinc/13/18/93/601131893.db2.gz CBBFHGUQSBEJIT-NSHDSACASA-N -1 0 347.440 3.696 20 0 EHADRM Cc1c(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cnc2ccccc12 ZINC000431639305 601135701 /nfs/dbraw/zinc/13/57/01/601135701.db2.gz LDHYLFTWAVRVJF-UHFFFAOYSA-N -1 0 334.375 3.514 20 0 EHADRM COc1ccc(C2(NC(=O)Nc3ccc(C)c(C(=O)[O-])c3)CC2)cc1 ZINC000832264422 601136840 /nfs/dbraw/zinc/13/68/40/601136840.db2.gz CRKCRDIPRRWFTJ-UHFFFAOYSA-N -1 0 340.379 3.513 20 0 EHADRM Cc1ccc(NC(=O)N[C@H]2CCCOc3ccccc32)cc1C(=O)[O-] ZINC000832947303 601137309 /nfs/dbraw/zinc/13/73/09/601137309.db2.gz RFYFRGZJMKOSHT-INIZCTEOSA-N -1 0 340.379 3.729 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC000832977121 601142820 /nfs/dbraw/zinc/14/28/20/601142820.db2.gz MUOSKNZFDRVWOG-AWEZNQCLSA-N -1 0 329.371 3.746 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC000832977122 601142877 /nfs/dbraw/zinc/14/28/77/601142877.db2.gz MUOSKNZFDRVWOG-CQSZACIVSA-N -1 0 329.371 3.746 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c(Br)c1 ZINC000111470531 601145149 /nfs/dbraw/zinc/14/51/49/601145149.db2.gz ZYUOOXJAESOPDD-MNOVXSKESA-N -1 0 340.217 3.587 20 0 EHADRM C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)c2C#N)C1 ZINC000326311017 601146198 /nfs/dbraw/zinc/14/61/98/601146198.db2.gz LKQMQYLKVMDUQT-IJLUTSLNSA-N -1 0 346.452 3.574 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC000827423050 601147162 /nfs/dbraw/zinc/14/71/62/601147162.db2.gz WMDKYBIOFQXBGW-ZDUSSCGKSA-N -1 0 347.361 3.651 20 0 EHADRM Cc1cc(NC(=O)c2oc(-c3ccccc3)nc2C)sc1C(=O)[O-] ZINC000738241651 601147903 /nfs/dbraw/zinc/14/79/03/601147903.db2.gz YCXGKSJJJAUXFD-UHFFFAOYSA-N -1 0 342.376 3.970 20 0 EHADRM O=C([O-])C1(NC(=O)c2cccc(C(F)(F)F)c2F)CCCCCC1 ZINC000238095542 601148553 /nfs/dbraw/zinc/14/85/53/601148553.db2.gz UQHQYLVDFWXFKT-UHFFFAOYSA-N -1 0 347.308 3.752 20 0 EHADRM CCOc1cc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])ccc1C ZINC000236896323 601162107 /nfs/dbraw/zinc/16/21/07/601162107.db2.gz UCKYLDXYDVWSTG-KBXCAEBGSA-N -1 0 341.407 3.586 20 0 EHADRM Cc1ccc(CCCC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])s1 ZINC000237736300 601168161 /nfs/dbraw/zinc/16/81/61/601168161.db2.gz WPNKVOPQKWNUMQ-KDOFPFPSSA-N -1 0 345.464 3.957 20 0 EHADRM Cc1nc2ccccc2cc1C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000833005387 601171818 /nfs/dbraw/zinc/17/18/18/601171818.db2.gz AGJFMICBMDKPBR-ORAYPTAESA-N -1 0 348.402 3.735 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000531999899 601172281 /nfs/dbraw/zinc/17/22/81/601172281.db2.gz DAXKBIQPRVTHDE-RISCZKNCSA-N -1 0 346.452 3.767 20 0 EHADRM C[C@H](OC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ncc(-c2ccccc2)o1 ZINC000827827132 601175548 /nfs/dbraw/zinc/17/55/48/601175548.db2.gz QKRYUPGXUWOXTN-NWANDNLSSA-N -1 0 343.379 3.837 20 0 EHADRM CC(C)CCc1nc(COC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cs1 ZINC000826861183 601176213 /nfs/dbraw/zinc/17/62/13/601176213.db2.gz QEZHDQRDSAAMJU-CHWSQXEVSA-N -1 0 339.457 3.666 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)OCc2ccc(C(F)(F)F)cc2)C1 ZINC000833190390 601178997 /nfs/dbraw/zinc/17/89/97/601178997.db2.gz WXCASMONDQWHSE-NEPJUHHUSA-N -1 0 330.302 3.640 20 0 EHADRM Cc1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)c(F)cc1F ZINC000832868030 601190253 /nfs/dbraw/zinc/19/02/53/601190253.db2.gz IWHDOAFQAHQWRI-CQSZACIVSA-N -1 0 340.709 3.909 20 0 EHADRM CCS[C@@H]1CCC[C@@H](NC(=O)Nc2cccc(NC(=O)[O-])c2)C1 ZINC000830158358 601191734 /nfs/dbraw/zinc/19/17/34/601191734.db2.gz VITPGCXMFRLKRJ-ZIAGYGMSSA-N -1 0 337.445 3.962 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)OCc2c(Cl)ccc3cccnc32)C1 ZINC000833186648 601192325 /nfs/dbraw/zinc/19/23/25/601192325.db2.gz GKVNNWPAKQDXLV-STQMWFEESA-N -1 0 347.798 3.822 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC000832992805 601194919 /nfs/dbraw/zinc/19/49/19/601194919.db2.gz XVBJZFQVPNRSMP-UHFFFAOYSA-N -1 0 337.331 3.705 20 0 EHADRM COc1ccc(OCCCNc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000832443992 601209872 /nfs/dbraw/zinc/20/98/72/601209872.db2.gz FAKWYAAZOSXDQW-UHFFFAOYSA-N -1 0 334.347 3.805 20 0 EHADRM O=C([O-])c1cc(C(=O)NCc2ccc(Oc3ccccc3)cc2)ccn1 ZINC000238174393 601245491 /nfs/dbraw/zinc/24/54/91/601245491.db2.gz RBZINNDTZFBCOW-UHFFFAOYSA-N -1 0 348.358 3.502 20 0 EHADRM O=C([O-])c1cc(NCc2cc3c(c(Cl)c2)OCO3)c(F)cc1F ZINC000319950051 601246513 /nfs/dbraw/zinc/24/65/13/601246513.db2.gz HJNQLENOROFIRS-UHFFFAOYSA-N -1 0 341.697 3.657 20 0 EHADRM C[C@@H](Nc1cc(C(=O)[O-])nc2ccc(Br)cc21)C1CC1 ZINC000827768974 601247718 /nfs/dbraw/zinc/24/77/18/601247718.db2.gz YVYFWPMDUZWOPP-MRVPVSSYSA-N -1 0 335.201 3.906 20 0 EHADRM C[C@@H](c1cc(F)ccc1F)N(C)c1nc(Cl)c(C(=O)[O-])s1 ZINC000827928710 601249256 /nfs/dbraw/zinc/24/92/56/601249256.db2.gz NUWHNLGNESGYOM-LURJTMIESA-N -1 0 332.759 3.970 20 0 EHADRM CN(C(=O)[C@@H]1C[C@@H]1C1CC1)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000830457201 601261873 /nfs/dbraw/zinc/26/18/73/601261873.db2.gz JHYIELZMCYNHRX-JTNHKYCSSA-N -1 0 342.222 3.624 20 0 EHADRM O=C([O-])c1ccc(N2CCCC2)c(NC(=O)c2cccc3[nH]ccc32)c1 ZINC000833318201 601274341 /nfs/dbraw/zinc/27/43/41/601274341.db2.gz JEZGUOUFIUTUOZ-UHFFFAOYSA-N -1 0 349.390 3.719 20 0 EHADRM CC[C@@](NC(=O)C/C=C/c1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC000485378925 601283687 /nfs/dbraw/zinc/28/36/87/601283687.db2.gz DYTDXWZVNVEMCC-YJJPMGAVSA-N -1 0 341.382 3.735 20 0 EHADRM CC(C)[C@@H](C(=O)NCc1ccc(C(=O)[O-])o1)c1cccc(Cl)c1 ZINC000262043932 601285358 /nfs/dbraw/zinc/28/53/58/601285358.db2.gz DIIMYFFPFAEMFA-OAHLLOKOSA-N -1 0 335.787 3.687 20 0 EHADRM CN(Cc1ccc(NC(=O)C/C=C\c2cccc(F)c2)cc1)C(=O)[O-] ZINC000830830624 601285536 /nfs/dbraw/zinc/28/55/36/601285536.db2.gz KGXHUAYXSHGKDX-HYXAFXHYSA-N -1 0 342.370 3.978 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000776619913 601286138 /nfs/dbraw/zinc/28/61/38/601286138.db2.gz AHIJPOPSSHWGJF-GZKZCVOOSA-N -1 0 327.355 3.513 20 0 EHADRM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)c1ccnc(C(=O)[O-])c1 ZINC000237441333 601289557 /nfs/dbraw/zinc/28/95/57/601289557.db2.gz SFLWBRYEMSBJBA-CQSZACIVSA-N -1 0 338.407 3.783 20 0 EHADRM CSc1ccc(NC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)cc1Cl ZINC000832780857 601293685 /nfs/dbraw/zinc/29/36/85/601293685.db2.gz JJCKOXOYYIQTPP-UHFFFAOYSA-N -1 0 338.816 3.957 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2ccnc(C(=O)[O-])c2)C(C)(C)C)c1 ZINC000832965745 601293826 /nfs/dbraw/zinc/29/38/26/601293826.db2.gz WJYGIWMYOMOPFR-INIZCTEOSA-N -1 0 326.396 3.605 20 0 EHADRM Cc1ccc(C)c(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000832926065 601309020 /nfs/dbraw/zinc/30/90/20/601309020.db2.gz DRGMUVSLXZAZNL-INIZCTEOSA-N -1 0 330.359 3.780 20 0 EHADRM CCCc1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000024102236 601318897 /nfs/dbraw/zinc/31/88/97/601318897.db2.gz WHZISFHBIPHRAT-MDWZMJQESA-N -1 0 345.420 3.538 20 0 EHADRM Cn1cc(NC(=O)c2sc3ccccc3c2Cl)cc1C(=O)[O-] ZINC000141517989 601319642 /nfs/dbraw/zinc/31/96/42/601319642.db2.gz PIFGFPXSXXKXNG-UHFFFAOYSA-N -1 0 334.784 3.844 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)NC[C@@H]1SCCc2ccccc21 ZINC000833287483 601326007 /nfs/dbraw/zinc/32/60/07/601326007.db2.gz JKRXBBGEPJZGJG-INIZCTEOSA-N -1 0 342.420 3.537 20 0 EHADRM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000828149695 601335566 /nfs/dbraw/zinc/33/55/66/601335566.db2.gz MRORLFUOLOMHNB-IUODEOHRSA-N -1 0 342.370 3.934 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000828201987 601337315 /nfs/dbraw/zinc/33/73/15/601337315.db2.gz ZLZBQRQYDCECQK-XNRPHZJLSA-N -1 0 331.416 3.639 20 0 EHADRM CCc1[nH]c(C(=O)O[C@H](C)c2ncc(C(C)(C)C)o2)c(C)c1C(=O)[O-] ZINC000830201710 601339656 /nfs/dbraw/zinc/33/96/56/601339656.db2.gz CXEOVFYFRBAJBC-SNVBAGLBSA-N -1 0 348.399 3.787 20 0 EHADRM Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000013264959 601354810 /nfs/dbraw/zinc/35/48/10/601354810.db2.gz GUARKQHNBFXSNY-UHFFFAOYSA-N -1 0 333.409 3.617 20 0 EHADRM O=C([O-])c1ccc(-c2nc(COC(=O)[C@@H]3C[C@H]3C3CC3)cs2)cc1 ZINC000833308471 601358418 /nfs/dbraw/zinc/35/84/18/601358418.db2.gz QGXIUYQUYKYUKD-LSDHHAIUSA-N -1 0 343.404 3.598 20 0 EHADRM C[C@@H](C(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccc(Cl)s1 ZINC000191059128 601391573 /nfs/dbraw/zinc/39/15/73/601391573.db2.gz XEFZHGXADOVPAM-SSDOTTSWSA-N -1 0 327.764 3.981 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000828758605 601394627 /nfs/dbraw/zinc/39/46/27/601394627.db2.gz NCGOJUFOWJKWCJ-AWEZNQCLSA-N -1 0 341.407 3.834 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNC1(c2noc(C)n2)CCCCCC1 ZINC000830376170 601414797 /nfs/dbraw/zinc/41/47/97/601414797.db2.gz UXUHIFXELJKLCW-UHFFFAOYSA-N -1 0 347.415 3.571 20 0 EHADRM C[C@H](NC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)C1CCCC1 ZINC000827665271 601417028 /nfs/dbraw/zinc/41/70/28/601417028.db2.gz QARYNLVQHYWNEG-NHYWBVRUSA-N -1 0 338.835 3.734 20 0 EHADRM C/C(=C\COC(=O)c1c[nH]cc1-c1ccc(Cl)s1)C(=O)[O-] ZINC000825769096 601419663 /nfs/dbraw/zinc/41/96/63/601419663.db2.gz HRBWZEZTMIRDKT-XBXARRHUSA-N -1 0 325.773 3.584 20 0 EHADRM C/C(=C\COC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000825758861 601425757 /nfs/dbraw/zinc/42/57/57/601425757.db2.gz RLYXPOLBJOOMEO-HUYFXPKMSA-N -1 0 330.302 3.773 20 0 EHADRM O=C([O-])CC1(NC(=O)CCCCc2nc3ccccc3s2)CCC1 ZINC000262433396 601438649 /nfs/dbraw/zinc/43/86/49/601438649.db2.gz FCHJOAWKZWBFMF-UHFFFAOYSA-N -1 0 346.452 3.523 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000829014435 601446034 /nfs/dbraw/zinc/44/60/34/601446034.db2.gz GWLOMXCLIFHQHA-OAHLLOKOSA-N -1 0 349.333 3.768 20 0 EHADRM Cc1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)cc1C(=O)[O-] ZINC000237655135 601452422 /nfs/dbraw/zinc/45/24/22/601452422.db2.gz ZUOVTRWIKQFNAO-UHFFFAOYSA-N -1 0 327.233 3.502 20 0 EHADRM Cc1oc(CS[C@H](C)C(=O)Nc2cccc(F)c2)cc1C(=O)[O-] ZINC000833027962 601456323 /nfs/dbraw/zinc/45/63/23/601456323.db2.gz YTEYUTDYPGYQHY-SNVBAGLBSA-N -1 0 337.372 3.686 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CSCc2cccc(F)c2F)cc1 ZINC000833116070 601457858 /nfs/dbraw/zinc/45/78/58/601457858.db2.gz RRVQLKZEYMPUET-UHFFFAOYSA-N -1 0 337.347 3.535 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)CSc1ccc(F)cc1 ZINC000830389869 601460355 /nfs/dbraw/zinc/46/03/55/601460355.db2.gz VQBJZQFQZNNSFB-UHFFFAOYSA-N -1 0 338.356 3.515 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cccc(OCc2cccs2)c1 ZINC000237050345 601461994 /nfs/dbraw/zinc/46/19/94/601461994.db2.gz FYHZLRZVQCJJKQ-SFHVURJKSA-N -1 0 347.436 3.700 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000237010292 601467646 /nfs/dbraw/zinc/46/76/46/601467646.db2.gz WLBVCFSKCITVPB-FQEVSTJZSA-N -1 0 325.408 3.656 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(C)n(Cc2ccccc2)c1C ZINC000237041724 601471210 /nfs/dbraw/zinc/47/12/10/601471210.db2.gz WTRQFHBQCXZIFD-FQEVSTJZSA-N -1 0 342.439 3.526 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)/C=C/c1ccc2cc(OC)ccc2c1 ZINC000776629748 601471373 /nfs/dbraw/zinc/47/13/73/601471373.db2.gz UBKLOBILHOLXID-CLOLKSBNSA-N -1 0 341.407 3.621 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000385906766 601484434 /nfs/dbraw/zinc/48/44/34/601484434.db2.gz UKRBUVJVMLNTOY-UHFFFAOYSA-N -1 0 328.771 3.588 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)Nc2cccc(Cl)c2F)CC1 ZINC000386035106 601484448 /nfs/dbraw/zinc/48/44/48/601484448.db2.gz WLOGBTKQVUSCFC-UHFFFAOYSA-N -1 0 328.771 3.588 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1cc2sccc2s1 ZINC000321122334 601487752 /nfs/dbraw/zinc/48/77/52/601487752.db2.gz CAUKMFJOJITARO-OAHLLOKOSA-N -1 0 343.429 3.787 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000237558860 601525909 /nfs/dbraw/zinc/52/59/09/601525909.db2.gz YDNBOTLVZTXMEG-UHFFFAOYSA-N -1 0 347.798 3.981 20 0 EHADRM Cc1cc(C)c2nc(C3CC3)cc(C(=O)N(C)CCCC(=O)[O-])c2c1 ZINC000237021801 601532980 /nfs/dbraw/zinc/53/29/80/601532980.db2.gz IUMXZAAOFOGIQM-UHFFFAOYSA-N -1 0 340.423 3.666 20 0 EHADRM CC[C@H](C)[C@@H](C)N(C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1)C1CC1 ZINC000237030060 601556709 /nfs/dbraw/zinc/55/67/09/601556709.db2.gz LSLJRCBQMIFPBU-SWLSCSKDSA-N -1 0 347.455 3.806 20 0 EHADRM C[C@@H](Sc1ccccn1)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000197880999 601558569 /nfs/dbraw/zinc/55/85/69/601558569.db2.gz MJORDXMJRLYMEM-SECBINFHSA-N -1 0 336.800 3.553 20 0 EHADRM Cc1c2ccccc2oc1C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000540665668 601582598 /nfs/dbraw/zinc/58/25/98/601582598.db2.gz QOYHWQLOAVRLMU-HNNXBMFYSA-N -1 0 343.766 3.950 20 0 EHADRM Cc1ccc(CCC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000538467277 601583168 /nfs/dbraw/zinc/58/31/68/601583168.db2.gz CESACQWSMZJOHD-KRWDZBQOSA-N -1 0 331.799 3.523 20 0 EHADRM CCCCS[C@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000263171960 601586510 /nfs/dbraw/zinc/58/65/10/601586510.db2.gz RUBHMIKJFWAAJN-MFKMUULPSA-N -1 0 329.849 3.504 20 0 EHADRM C[C@@H](C(=O)NCC1(C(=O)[O-])CCCC1)c1ccccc1C(F)(F)F ZINC000826005058 601598483 /nfs/dbraw/zinc/59/84/83/601598483.db2.gz RUHGLQXIINNRIU-LLVKDONJSA-N -1 0 343.345 3.570 20 0 EHADRM Cc1ccc(OC(=O)CCC(=O)c2ccc(F)c(F)c2)c(C(=O)[O-])c1 ZINC000832953125 601599272 /nfs/dbraw/zinc/59/92/72/601599272.db2.gz MXVQQOBQDFZOGT-UHFFFAOYSA-N -1 0 348.301 3.540 20 0 EHADRM COc1ccc(C(=O)[O-])c(OCc2ncc(-c3cccs3)o2)c1 ZINC000832183211 601600373 /nfs/dbraw/zinc/60/03/73/601600373.db2.gz SOAMQYQLICUNQX-UHFFFAOYSA-N -1 0 331.349 3.689 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Nc2ccccc2CC(=O)[O-])cc1C ZINC000237840210 601614175 /nfs/dbraw/zinc/61/41/75/601614175.db2.gz XMCXLXZNYJGAPB-UHFFFAOYSA-N -1 0 339.391 3.532 20 0 EHADRM CC(C)COc1ccc(C(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000261725742 601614302 /nfs/dbraw/zinc/61/43/02/601614302.db2.gz RFQDZORPHJWLJF-UHFFFAOYSA-N -1 0 327.380 3.601 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Nc1c(F)cccc1F)c1ccccc1 ZINC000826039307 601614448 /nfs/dbraw/zinc/61/44/48/601614448.db2.gz QNENHGQPZOAKOM-QMTHXVAHSA-N -1 0 334.322 3.548 20 0 EHADRM Cc1cccc(NC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1C ZINC000832971433 601614577 /nfs/dbraw/zinc/61/45/77/601614577.db2.gz ZCTHWOWIYUYEBN-YOEHRIQHSA-N -1 0 326.396 3.887 20 0 EHADRM Cc1ccc(NC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1F ZINC000832946905 601615348 /nfs/dbraw/zinc/61/53/48/601615348.db2.gz LNWSCMSXRVJGQH-LRDDRELGSA-N -1 0 330.359 3.718 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(Oc2ccccc2Cl)cc1)C(=O)[O-] ZINC000827493519 601616165 /nfs/dbraw/zinc/61/61/65/601616165.db2.gz UJTHCSVQGNZOFC-NSHDSACASA-N -1 0 348.786 3.975 20 0 EHADRM CC(C)CN(C(=O)Nc1ccc(OCC(=O)[O-])cc1)C1CCCC1 ZINC000325468655 601617466 /nfs/dbraw/zinc/61/74/66/601617466.db2.gz JHMARHZENNEKKA-UHFFFAOYSA-N -1 0 334.416 3.583 20 0 EHADRM CCCCSCC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000776667274 601619212 /nfs/dbraw/zinc/61/92/12/601619212.db2.gz UITXCOOWEBBNTP-ZDUSSCGKSA-N -1 0 329.849 3.505 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCc1cccs1)c1ccc(Cl)cc1 ZINC000262067414 601619373 /nfs/dbraw/zinc/61/93/73/601619373.db2.gz IBFIHJAFFGYSCP-AWEZNQCLSA-N -1 0 337.828 3.666 20 0 EHADRM CSCCCCC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000832762864 601621723 /nfs/dbraw/zinc/62/17/23/601621723.db2.gz DTISURWQVWXCAM-ZDUSSCGKSA-N -1 0 329.849 3.505 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Nc1cccc2[nH]ccc21)c1ccccc1 ZINC000826039719 601622393 /nfs/dbraw/zinc/62/23/93/601622393.db2.gz XZFODHYYYWZIIL-SJKOYZFVSA-N -1 0 337.379 3.751 20 0 EHADRM Cn1c(SCc2ccc(C(=O)[O-])c(F)c2)nnc1-c1cccs1 ZINC000833039926 601623395 /nfs/dbraw/zinc/62/33/95/601623395.db2.gz VQCCSAOCLUFCDC-UHFFFAOYSA-N -1 0 349.412 3.673 20 0 EHADRM COc1ccc(C(=O)[O-])c(OCc2ncc(-c3ccccc3C)o2)c1 ZINC000832182449 601629922 /nfs/dbraw/zinc/62/99/22/601629922.db2.gz HDMXBEWYUVFLOA-UHFFFAOYSA-N -1 0 339.347 3.936 20 0 EHADRM CC[C@@H](C)C[S@](=O)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000828747710 601636302 /nfs/dbraw/zinc/63/63/02/601636302.db2.gz TYDDVJDECFBKOU-XFNZEKPQSA-N -1 0 337.466 3.803 20 0 EHADRM CCCCC[C@@H](NC(=O)CCc1c[nH]c2ccc(C)cc12)C(=O)[O-] ZINC000236813246 601648011 /nfs/dbraw/zinc/64/80/11/601648011.db2.gz LPYJQIBDDIYKCI-QGZVFWFLSA-N -1 0 330.428 3.559 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NCc1csc(-c2ccco2)n1)c1ccccc1 ZINC000826051201 601650137 /nfs/dbraw/zinc/65/01/37/601650137.db2.gz BIVDZJHTPLZDBY-LRDDRELGSA-N -1 0 342.420 3.955 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)[C@@H]2C[C@@H]2Cc2ccccc2)c1 ZINC000833317628 601650711 /nfs/dbraw/zinc/65/07/11/601650711.db2.gz ZGIPMDRHTYNAJL-UONOGXRCSA-N -1 0 329.783 3.856 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2C[C@H]2Cc2ccccc2)ccc1Cl ZINC000833300161 601652717 /nfs/dbraw/zinc/65/27/17/601652717.db2.gz KXPHPPAWAYKETN-TZMCWYRMSA-N -1 0 329.783 3.856 20 0 EHADRM C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1ccsc1C(=O)[O-] ZINC000827581276 601653965 /nfs/dbraw/zinc/65/39/65/601653965.db2.gz KXLOQKJCSMTESP-VIFPVBQESA-N -1 0 339.413 3.952 20 0 EHADRM Cn1cc(CCC(=O)Nc2ccc(C(=O)[O-])s2)c2ccccc21 ZINC000833044756 601655076 /nfs/dbraw/zinc/65/50/76/601655076.db2.gz FIPQFSRSLKCBQZ-UHFFFAOYSA-N -1 0 328.393 3.509 20 0 EHADRM CC[C@@H](C)c1ccc(C(=O)Nc2cccc(OCC(=O)[O-])c2)cc1 ZINC000828765117 601661170 /nfs/dbraw/zinc/66/11/70/601661170.db2.gz XAUFVQJFPJZKSE-CYBMUJFWSA-N -1 0 327.380 3.916 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)Cc1ccc(F)c(F)c1 ZINC000190737930 601672260 /nfs/dbraw/zinc/67/22/60/601672260.db2.gz KGZYWQYPXAZRDK-UHFFFAOYSA-N -1 0 349.333 3.631 20 0 EHADRM C[C@H](CN(C(=O)CCCc1csc2ccccc12)C1CC1)C(=O)[O-] ZINC000237593780 601673675 /nfs/dbraw/zinc/67/36/75/601673675.db2.gz ZMSDDBTXMVKYJH-CYBMUJFWSA-N -1 0 345.464 3.936 20 0 EHADRM CC[C@H](C)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(OC)cc2)cc1 ZINC000828763851 601675339 /nfs/dbraw/zinc/67/53/39/601675339.db2.gz DSLINXYHFBLSEQ-SCLBCKFNSA-N -1 0 341.407 3.764 20 0 EHADRM Cc1ccc(NC(=O)CCC(=O)c2ccc(F)c(F)c2)c(C(=O)[O-])c1 ZINC000832943103 601678530 /nfs/dbraw/zinc/67/85/30/601678530.db2.gz YJUKTDZPLFSGOG-UHFFFAOYSA-N -1 0 347.317 3.573 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cc(F)cc(Cl)c1)c1ccccc1 ZINC000826039636 601678752 /nfs/dbraw/zinc/67/87/52/601678752.db2.gz WVFDIVUENBFZJU-ZUZCIYMTSA-N -1 0 335.762 3.671 20 0 EHADRM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000180131338 601689403 /nfs/dbraw/zinc/68/94/03/601689403.db2.gz MZPZDIXFMQQLLZ-XHSDSOJGSA-N -1 0 347.455 3.680 20 0 EHADRM Cc1ccc2cc(C(=O)N[C@H](C(=O)[O-])c3ccc(Cl)cc3)[nH]c2c1 ZINC000537361856 601698996 /nfs/dbraw/zinc/69/89/96/601698996.db2.gz AWBMOELEDNYEDU-INIZCTEOSA-N -1 0 342.782 3.685 20 0 EHADRM CC[C@H](C)Oc1ccc(NC(=O)NCC2(C(=O)[O-])CCCC2)cc1 ZINC000828764360 601700594 /nfs/dbraw/zinc/70/05/94/601700594.db2.gz IOCMDAYENQUUPC-ZDUSSCGKSA-N -1 0 334.416 3.630 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)C[C@@H]1C(=O)[O-] ZINC000828392624 601713153 /nfs/dbraw/zinc/71/31/53/601713153.db2.gz AJWXAGWWAFWEQX-GWCFXTLKSA-N -1 0 349.839 3.861 20 0 EHADRM Cc1cc(NC(=O)N(CCC(F)(F)F)CC2CC2)ccc1C(=O)[O-] ZINC000832894390 601713439 /nfs/dbraw/zinc/71/34/39/601713439.db2.gz IUYHFJZZZGNZHV-UHFFFAOYSA-N -1 0 344.333 3.890 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3C[C@H](C)[C@@H](C(=O)[O-])C3)c(F)c2)cc1 ZINC000832905811 601716799 /nfs/dbraw/zinc/71/67/99/601716799.db2.gz INFVXAQDCZSKKX-GUYCJALGSA-N -1 0 341.382 3.594 20 0 EHADRM C[C@@H](CC(=O)OCc1ccc(C(=O)[O-])c(F)c1)c1ccccc1F ZINC000827392421 601726737 /nfs/dbraw/zinc/72/67/37/601726737.db2.gz ZMHZPDBNMGGAKY-NSHDSACASA-N -1 0 334.318 3.900 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000826616558 601729504 /nfs/dbraw/zinc/72/95/04/601729504.db2.gz NDRULCQPCZMHIM-UHFFFAOYSA-N -1 0 330.355 3.836 20 0 EHADRM Cc1ccccc1C(C)(C)C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC000832976739 601742246 /nfs/dbraw/zinc/74/22/46/601742246.db2.gz AYRDHPAARUYRAS-UHFFFAOYSA-N -1 0 346.452 3.775 20 0 EHADRM O=C([O-])CCCc1csc(NC(=O)/C=C/Sc2ccccc2)n1 ZINC000833229306 601747171 /nfs/dbraw/zinc/74/71/71/601747171.db2.gz YJPJPIOMKOPRIH-MDZDMXLPSA-N -1 0 348.449 3.795 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000325421852 601750151 /nfs/dbraw/zinc/75/01/51/601750151.db2.gz XBKOYTBSNJFBDP-UHFFFAOYSA-N -1 0 328.368 3.711 20 0 EHADRM CSc1cc(C)ccc1CNC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000832774622 601755886 /nfs/dbraw/zinc/75/58/86/601755886.db2.gz SOYUNRBJUKTVMM-UHFFFAOYSA-N -1 0 348.399 3.876 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccccc2SC2CCCC2)C[C@H]1C(=O)[O-] ZINC000828386101 601776622 /nfs/dbraw/zinc/77/66/22/601776622.db2.gz LGJGDJSQGAAIEU-TZMCWYRMSA-N -1 0 348.468 3.906 20 0 EHADRM Cc1ccc2[nH]c(C(=O)Nc3nc(CCCC(=O)[O-])cs3)cc2c1 ZINC000832958779 601783131 /nfs/dbraw/zinc/78/31/31/601783131.db2.gz VAGXUKZRJDFJKG-UHFFFAOYSA-N -1 0 343.408 3.592 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2ccc(CC(=O)[O-])cc2)cc1F ZINC000325539867 601786507 /nfs/dbraw/zinc/78/65/07/601786507.db2.gz UZGCLWFNKIFBHT-GFCCVEGCSA-N -1 0 330.359 3.644 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc2cccc(Cl)c2o1 ZINC000774071477 601801655 /nfs/dbraw/zinc/80/16/55/601801655.db2.gz FSVKNDIZEOPRCB-BPNCWPANSA-N -1 0 347.798 3.944 20 0 EHADRM Cc1cc(CCCC(=O)N[C@@H](C(=O)[O-])c2ccccc2)c(C)s1 ZINC000237606368 601802340 /nfs/dbraw/zinc/80/23/40/601802340.db2.gz SLMCDICZHDFJHA-QGZVFWFLSA-N -1 0 331.437 3.630 20 0 EHADRM Cc1ccc(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])c(Cl)n1 ZINC000832913403 601807319 /nfs/dbraw/zinc/80/73/19/601807319.db2.gz DONBNVIYBDDGQT-UHFFFAOYSA-N -1 0 336.800 3.933 20 0 EHADRM CN(C)c1ccc(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])cc1F ZINC000830635847 601808038 /nfs/dbraw/zinc/80/80/38/601808038.db2.gz RWYWQZCXDPQDMV-UHFFFAOYSA-N -1 0 348.399 3.781 20 0 EHADRM O=C([O-])c1ccc(CSCCC(=O)Nc2ccccc2)cc1F ZINC000833100485 601814440 /nfs/dbraw/zinc/81/44/40/601814440.db2.gz CPAXARKUQDBQQJ-UHFFFAOYSA-N -1 0 333.384 3.786 20 0 EHADRM CC(=O)c1ccc(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000230133679 601816721 /nfs/dbraw/zinc/81/67/21/601816721.db2.gz PDZVKESXMGVPSJ-UHFFFAOYSA-N -1 0 349.180 3.929 20 0 EHADRM O=C([O-])CCC1CCN(Cc2csc(-c3cccs3)n2)CC1 ZINC000578899466 601841013 /nfs/dbraw/zinc/84/10/13/601841013.db2.gz VERWTAAKAQWANS-UHFFFAOYSA-N -1 0 336.482 3.948 20 0 EHADRM C[C@@H]1CCC[C@H](NC(=O)CSCc2ccc(C(=O)[O-])s2)[C@@H]1C ZINC000828240205 601846729 /nfs/dbraw/zinc/84/67/29/601846729.db2.gz SZULBCRTOGAKTD-WZRBSPASSA-N -1 0 341.498 3.620 20 0 EHADRM O=C([O-])c1ccc(CSCc2noc(-c3cccs3)n2)s1 ZINC000833317664 601846840 /nfs/dbraw/zinc/84/68/40/601846840.db2.gz YJFFZLFVDDLGAG-UHFFFAOYSA-N -1 0 338.435 3.991 20 0 EHADRM O=C([O-])c1ccc(CSCC(=O)Nc2ccc3c(c2)CCC3)s1 ZINC000833116109 601847136 /nfs/dbraw/zinc/84/71/36/601847136.db2.gz SYFPEOPMQGSWDG-UHFFFAOYSA-N -1 0 347.461 3.807 20 0 EHADRM CC(C)c1ccc(CNC(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC000392039066 601857416 /nfs/dbraw/zinc/85/74/16/601857416.db2.gz LBAUHNYBHFGBTK-UHFFFAOYSA-N -1 0 326.396 3.508 20 0 EHADRM Cc1cc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c(Cl)cc1F ZINC000237054911 601861111 /nfs/dbraw/zinc/86/11/11/601861111.db2.gz IUCIBTNZWUFORN-UHFFFAOYSA-N -1 0 335.762 3.758 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)N[C@H]2CCCCc3ccccc32)c1 ZINC000833146013 601867524 /nfs/dbraw/zinc/86/75/24/601867524.db2.gz KQUSNXCGGWWDMQ-SFHVURJKSA-N -1 0 338.407 3.652 20 0 EHADRM CCCCC[C@@H](NC(=O)c1cncc(-c2ccccc2)c1)C(=O)[O-] ZINC000829340449 601869413 /nfs/dbraw/zinc/86/94/13/601869413.db2.gz PKLROXIFYPTOMM-QGZVFWFLSA-N -1 0 326.396 3.512 20 0 EHADRM CC(C)c1nc(C(=O)Oc2ccc(SCC(=O)[O-])cc2)cs1 ZINC000827144113 601873313 /nfs/dbraw/zinc/87/33/13/601873313.db2.gz CSDUZMMSJYPETJ-UHFFFAOYSA-N -1 0 337.422 3.662 20 0 EHADRM CCC[C@H]1CCCN(C(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000829254785 601881536 /nfs/dbraw/zinc/88/15/36/601881536.db2.gz FBQQLWANBKAXNR-HNNXBMFYSA-N -1 0 333.432 3.541 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)NCC1(C)CCCCC1)C(=O)[O-] ZINC000827914577 601885293 /nfs/dbraw/zinc/88/52/93/601885293.db2.gz ABCYNROMDJBSGL-CYBMUJFWSA-N -1 0 335.469 3.952 20 0 EHADRM Cc1nnc(SCc2ccc(C(=O)[O-])s2)n1Cc1ccccc1 ZINC000833022052 601890407 /nfs/dbraw/zinc/89/04/07/601890407.db2.gz WCNZDQXXKPIMJY-UHFFFAOYSA-N -1 0 345.449 3.687 20 0 EHADRM C[C@@H](NCc1ccc(C(=O)[O-])o1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000827741262 601895443 /nfs/dbraw/zinc/89/54/43/601895443.db2.gz JQOPCYTXTLBEJW-SECBINFHSA-N -1 0 347.758 3.532 20 0 EHADRM CSc1ccsc1C(=O)N[C@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000832790591 601900666 /nfs/dbraw/zinc/90/06/66/601900666.db2.gz NDBOVASDFYTBQY-QWRGUYRKSA-N -1 0 327.471 3.623 20 0 EHADRM C[C@@H](CNc1ccccc1)NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000827512229 601914186 /nfs/dbraw/zinc/91/41/86/601914186.db2.gz KMRDTOAFAPNDFU-NSHDSACASA-N -1 0 347.802 3.660 20 0 EHADRM Cc1c2ccccc2oc1C(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000262208609 601916550 /nfs/dbraw/zinc/91/65/50/601916550.db2.gz VQPVTRZWJCENFY-HUUCEWRRSA-N -1 0 329.396 3.895 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000237354584 601917134 /nfs/dbraw/zinc/91/71/34/601917134.db2.gz QMQJKVBYIYTAPV-LLVKDONJSA-N -1 0 349.839 3.835 20 0 EHADRM CC(C)(C(=O)NCc1cccc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC000531744275 601918727 /nfs/dbraw/zinc/91/87/27/601918727.db2.gz FTJQMYHUHAUTCQ-UHFFFAOYSA-N -1 0 331.799 3.632 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC)C(=O)C1CCC(NC(=O)[O-])CC1 ZINC000739265609 601927559 /nfs/dbraw/zinc/92/75/59/601927559.db2.gz RJCNNHLGPMTAEX-JCYILVPMSA-N -1 0 332.444 3.813 20 0 EHADRM CC(C)COCCC(=O)O[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000826900706 601932666 /nfs/dbraw/zinc/93/26/66/601932666.db2.gz QLMVUSRMZDPPDU-AWEZNQCLSA-N -1 0 349.210 3.725 20 0 EHADRM O=C([O-])Cc1cccc(NC(=S)Nc2ccc3c(c2)CCC3)c1 ZINC000738625450 601953615 /nfs/dbraw/zinc/95/36/15/601953615.db2.gz QWMXTAKMUPHKAH-UHFFFAOYSA-N -1 0 326.421 3.611 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)[O-])c1 ZINC000739794740 601966743 /nfs/dbraw/zinc/96/67/43/601966743.db2.gz CNIIHJFIRVOMTN-IRWJRLHMSA-N -1 0 346.427 3.644 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)[O-])c1 ZINC000739794744 601966994 /nfs/dbraw/zinc/96/69/94/601966994.db2.gz CNIIHJFIRVOMTN-UOJCXKCYSA-N -1 0 346.427 3.644 20 0 EHADRM O=C([O-])Cc1cccc(NCC(=O)Nc2cccc3ccccc32)c1 ZINC000738624708 601967334 /nfs/dbraw/zinc/96/73/34/601967334.db2.gz AKFPHQHERKUFEW-UHFFFAOYSA-N -1 0 334.375 3.518 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000740042506 601995709 /nfs/dbraw/zinc/99/57/09/601995709.db2.gz VZPBPYVJIHLJSU-UHFFFAOYSA-N -1 0 329.287 3.618 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)c2nccc3ccccc32)cc1 ZINC000833264259 601998730 /nfs/dbraw/zinc/99/87/30/601998730.db2.gz JTENJRZAAOYXLM-UHFFFAOYSA-N -1 0 339.372 3.631 20 0 EHADRM COc1ccc2cc(NC(=O)c3ccc(NC(=O)[O-])cc3)ccc2n1 ZINC000738078370 601999005 /nfs/dbraw/zinc/99/90/05/601999005.db2.gz DPHAOUFAYZUGDH-UHFFFAOYSA-N -1 0 337.335 3.586 20 0 EHADRM O=C([O-])c1ccc(COC(=O)CCOc2ccccc2Cl)s1 ZINC000833102749 602002587 /nfs/dbraw/zinc/00/25/87/602002587.db2.gz GKUCHCPAFQEMAH-UHFFFAOYSA-N -1 0 340.784 3.612 20 0 EHADRM COc1cccc(/C(C)=C\C(=O)OCc2ccc(C(=O)[O-])s2)c1 ZINC000832528713 602012794 /nfs/dbraw/zinc/01/27/94/602012794.db2.gz OWWXDNZKBUKVGA-FLIBITNWSA-N -1 0 332.377 3.602 20 0 EHADRM C[C@@H](OC(=O)C1(Cc2ccccc2)CCC1)c1ccc(C(=O)[O-])o1 ZINC000827816979 602016566 /nfs/dbraw/zinc/01/65/66/602016566.db2.gz FPSCBPUNLZDXAH-CYBMUJFWSA-N -1 0 328.364 3.995 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cncc(-c2ccccc2)c1)c1ccccc1 ZINC000833352128 602016709 /nfs/dbraw/zinc/01/67/09/602016709.db2.gz ZNJRKJVSHOMSRD-GOSISDBHSA-N -1 0 333.343 3.731 20 0 EHADRM CSc1ccccc1NC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000832789615 602025980 /nfs/dbraw/zinc/02/59/80/602025980.db2.gz AZEQOVZRRBCNAS-QWHCGFSZSA-N -1 0 336.457 3.954 20 0 EHADRM C[C@@H]1[C@@H](C)CCN1C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000828286718 602026169 /nfs/dbraw/zinc/02/61/69/602026169.db2.gz ZAXFPXPTOGXWCM-DTWKUNHWSA-N -1 0 330.306 3.666 20 0 EHADRM O=C([O-])CCCc1csc(NC(=O)c2cccc(Cl)c2F)n1 ZINC000317625263 602032941 /nfs/dbraw/zinc/03/29/41/602032941.db2.gz VAQSORXYTZARBU-UHFFFAOYSA-N -1 0 342.779 3.595 20 0 EHADRM CCCOc1cc(C)ccc1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000829528429 602033330 /nfs/dbraw/zinc/03/33/30/602033330.db2.gz YBVBEBTTZCYYID-UHFFFAOYSA-N -1 0 342.395 3.804 20 0 EHADRM Cc1cc(NC(=O)NCc2cccc(C(=O)[O-])c2)ccc1OC(C)C ZINC000832895354 602043974 /nfs/dbraw/zinc/04/39/74/602043974.db2.gz SSETWLWARADYOZ-UHFFFAOYSA-N -1 0 342.395 3.802 20 0 EHADRM CCc1ccc(CC)c(NC(=O)NCc2cccc(C(=O)[O-])c2)c1 ZINC000830245041 602045128 /nfs/dbraw/zinc/04/51/28/602045128.db2.gz OQFQAEFZAQMMEG-UHFFFAOYSA-N -1 0 326.396 3.831 20 0 EHADRM Cc1cccc(CN(C)[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)n1 ZINC000832967638 602045921 /nfs/dbraw/zinc/04/59/21/602045921.db2.gz LTFWTFDRNGYYAV-HNNXBMFYSA-N -1 0 339.222 3.955 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc(C(F)F)c1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738991642 602051399 /nfs/dbraw/zinc/05/13/99/602051399.db2.gz VBGMDORNJNHGFR-PWSUYJOCSA-N -1 0 341.358 3.524 20 0 EHADRM CC(C)=CC(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC000826647289 602062277 /nfs/dbraw/zinc/06/22/77/602062277.db2.gz CFWOYJZKIFCSBH-UHFFFAOYSA-N -1 0 325.364 3.869 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000237622141 602067683 /nfs/dbraw/zinc/06/76/83/602067683.db2.gz XETGHYZNGFPEGD-CYBMUJFWSA-N -1 0 329.421 3.574 20 0 EHADRM C[C@@H](Oc1ccc(-c2nc3cc(Cl)ccc3n2C)cc1)C(=O)[O-] ZINC000827878719 602069284 /nfs/dbraw/zinc/06/92/84/602069284.db2.gz CFSWVDBVCQLDMY-SNVBAGLBSA-N -1 0 330.771 3.746 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2cccc(OC3CCCC3)c2)c1 ZINC000263183700 602071048 /nfs/dbraw/zinc/07/10/48/602071048.db2.gz WBWKAPCTLVKUNI-UHFFFAOYSA-N -1 0 339.391 3.887 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000263143014 602074232 /nfs/dbraw/zinc/07/42/32/602074232.db2.gz JXWNONUAGUPWSS-SFHVURJKSA-N -1 0 325.408 3.767 20 0 EHADRM COc1ccc(C(=O)Nc2cccc(CC(=O)[O-])c2)c2ccccc12 ZINC000154876558 602077432 /nfs/dbraw/zinc/07/74/32/602077432.db2.gz SYGPPPQVFSDGLS-UHFFFAOYSA-N -1 0 335.359 3.728 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)N[C@@H]1CSc2ccccc21 ZINC000833225143 602082976 /nfs/dbraw/zinc/08/29/76/602082976.db2.gz KXSIIRGKMMMJMM-CQSZACIVSA-N -1 0 336.457 3.558 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Nc2nc3ccccc3s2)c1 ZINC000390962349 602084259 /nfs/dbraw/zinc/08/42/59/602084259.db2.gz ZYFUPXLVEPAXTF-UHFFFAOYSA-N -1 0 327.365 3.567 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000827293163 602084507 /nfs/dbraw/zinc/08/45/07/602084507.db2.gz VTXZTUPMVKOIJO-WIJITULTSA-N -1 0 349.430 3.511 20 0 EHADRM C[C@H](Oc1ccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)cc1)C(=O)[O-] ZINC000794689962 602094411 /nfs/dbraw/zinc/09/44/11/602094411.db2.gz VMWFMVKXMNCBRN-CYANDVJASA-N -1 0 343.766 3.685 20 0 EHADRM CC[C@@H](C)C(=O)COC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000828700287 602098093 /nfs/dbraw/zinc/09/80/93/602098093.db2.gz JNLOCIICCASSDM-MRVPVSSYSA-N -1 0 347.289 3.567 20 0 EHADRM C[C@@H](SCc1cccc(C(=O)[O-])c1)c1cn(-c2ccccc2)nn1 ZINC000827909259 602099848 /nfs/dbraw/zinc/09/98/48/602099848.db2.gz VNHZZZAHLZYPKT-CYBMUJFWSA-N -1 0 339.420 3.960 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000738059143 602100096 /nfs/dbraw/zinc/10/00/96/602100096.db2.gz NYFFSIITHLTIAJ-GFCCVEGCSA-N -1 0 328.368 3.665 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cccc(Cl)c1F)c1ccccc1F ZINC000833351911 602101011 /nfs/dbraw/zinc/10/10/11/602101011.db2.gz QHGSCEUQAWAVNH-CYBMUJFWSA-N -1 0 326.682 3.601 20 0 EHADRM CC[C@@H](C)N1C(=O)N[C@H](c2cnc(C3CCC3)s2)C(C(=O)[O-])=C1C ZINC000828753405 602110454 /nfs/dbraw/zinc/11/04/54/602110454.db2.gz MYEQOZWCUVSRCZ-YMTOWFKASA-N -1 0 349.456 3.634 20 0 EHADRM O=C([O-])COc1ccc(NC[C@@H]2CC2(Cl)Cl)c2ccccc12 ZINC000833258401 602114243 /nfs/dbraw/zinc/11/42/43/602114243.db2.gz KCRVBXSXELRITB-JTQLQIEISA-N -1 0 340.206 3.909 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1cccc(OC(F)(F)F)c1 ZINC000318858350 602115131 /nfs/dbraw/zinc/11/51/31/602115131.db2.gz JCJCUKRBAMGTCC-UHFFFAOYSA-N -1 0 331.271 3.597 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc2sccc2c1 ZINC000262218678 602118166 /nfs/dbraw/zinc/11/81/66/602118166.db2.gz WXFONHZNZXHANQ-UGFHNGPFSA-N -1 0 329.421 3.759 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000827272624 602121971 /nfs/dbraw/zinc/12/19/71/602121971.db2.gz OTPBCCCHHKPFOO-ZUZCIYMTSA-N -1 0 337.828 3.718 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N(Cc1ccccc1)[C@H](C)c1ccccc1 ZINC000827247607 602129328 /nfs/dbraw/zinc/12/93/28/602129328.db2.gz OPPKMVZGWIUAFZ-HZPDHXFCSA-N -1 0 325.408 3.887 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(C)c2F)cc1 ZINC000832777516 602138284 /nfs/dbraw/zinc/13/82/84/602138284.db2.gz PTVKPMJIJMQVGD-HNNXBMFYSA-N -1 0 347.411 3.802 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000237559588 602140154 /nfs/dbraw/zinc/14/01/54/602140154.db2.gz JSYXICZPWCZHIT-AWEZNQCLSA-N -1 0 333.428 3.770 20 0 EHADRM CCC(=O)c1ccc(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cc1 ZINC000828573845 602149770 /nfs/dbraw/zinc/14/97/70/602149770.db2.gz DRPXLJINKISHHS-UHFFFAOYSA-N -1 0 340.379 3.641 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000829009667 602149923 /nfs/dbraw/zinc/14/99/23/602149923.db2.gz KSGJVUMVUDAJFL-QGZVFWFLSA-N -1 0 348.443 3.863 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)c2ccc3sccc3c2)cc1 ZINC000833281150 602150450 /nfs/dbraw/zinc/15/04/50/602150450.db2.gz FJMMUVVMADBXOL-UHFFFAOYSA-N -1 0 326.377 3.921 20 0 EHADRM Cc1cccc(COc2ccc(NC(=O)[C@H](C)CC(=O)[O-])c(C)c2)c1 ZINC000832966982 602150954 /nfs/dbraw/zinc/15/09/54/602150954.db2.gz JMJAERBTAGUWNM-OAHLLOKOSA-N -1 0 341.407 3.932 20 0 EHADRM CCC(=O)c1ccc(C(=O)N(CCC(=O)[O-])c2cccc(F)c2)cc1 ZINC000828574583 602152929 /nfs/dbraw/zinc/15/29/29/602152929.db2.gz TYZCSNYGJSGWOT-UHFFFAOYSA-N -1 0 343.354 3.540 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)Nc1cccc(SC(F)F)c1 ZINC000739239687 602153124 /nfs/dbraw/zinc/15/31/24/602153124.db2.gz SNHXEFCXPUEFPN-GZMMTYOYSA-N -1 0 332.372 3.622 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)Nc1cccc(SC(F)F)c1 ZINC000739239697 602153189 /nfs/dbraw/zinc/15/31/89/602153189.db2.gz SNHXEFCXPUEFPN-LDYMZIIASA-N -1 0 332.372 3.622 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000827317325 602157427 /nfs/dbraw/zinc/15/74/27/602157427.db2.gz KXRKPGPANWWEEF-LBPRGKRZSA-N -1 0 347.798 3.968 20 0 EHADRM Cc1ccccc1COc1cccc(NC(=O)[C@@H](C)CC(=O)[O-])c1 ZINC000832978141 602158865 /nfs/dbraw/zinc/15/88/65/602158865.db2.gz MGHFVVIFOQQIEF-AWEZNQCLSA-N -1 0 327.380 3.623 20 0 EHADRM Cc1ccccc1COc1cccc(NC(=O)[C@H](C)CC(=O)[O-])c1 ZINC000832978142 602158944 /nfs/dbraw/zinc/15/89/44/602158944.db2.gz MGHFVVIFOQQIEF-CQSZACIVSA-N -1 0 327.380 3.623 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC)C(=O)NCC1CCN(C(=O)[O-])CC1 ZINC000739262798 602159778 /nfs/dbraw/zinc/15/97/78/602159778.db2.gz FOKLOFBDTZLRFA-KRWDZBQOSA-N -1 0 347.459 3.559 20 0 EHADRM Cc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c1F ZINC000832962845 602161021 /nfs/dbraw/zinc/16/10/21/602161021.db2.gz BQSGYRJNODCWAC-AWEZNQCLSA-N -1 0 335.762 3.733 20 0 EHADRM CCSc1ccc(C(=O)Nc2ccc(OC)c(NC(=O)[O-])c2)cn1 ZINC000739519340 602169023 /nfs/dbraw/zinc/16/90/23/602169023.db2.gz SVNVLBLFKJGNRG-UHFFFAOYSA-N -1 0 347.396 3.544 20 0 EHADRM Cc1ccnc(Oc2cc(NC(=O)[C@@H](C)CC(=O)[O-])ccc2C)c1 ZINC000832983593 602174244 /nfs/dbraw/zinc/17/42/44/602174244.db2.gz APVCQUWWTIBFHO-ZDUSSCGKSA-N -1 0 328.368 3.540 20 0 EHADRM Cc1cccc(C)c1OCCC(=O)Nc1ccccc1NC(=O)[O-] ZINC000740165390 602175113 /nfs/dbraw/zinc/17/51/13/602175113.db2.gz CURUSRFFOZBWFE-UHFFFAOYSA-N -1 0 328.368 3.801 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)c1cc(Cl)nc(Cl)c1 ZINC000740716574 602178403 /nfs/dbraw/zinc/17/84/03/602178403.db2.gz WCBOWWLPZADPGY-UHFFFAOYSA-N -1 0 326.139 3.731 20 0 EHADRM COc1ccc(SCC(=O)Nc2ccccc2NC(=O)[O-])cc1 ZINC000739934112 602178436 /nfs/dbraw/zinc/17/84/36/602178436.db2.gz XKKMDKQDCPRKQF-UHFFFAOYSA-N -1 0 332.381 3.516 20 0 EHADRM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000191327785 602178571 /nfs/dbraw/zinc/17/85/71/602178571.db2.gz XRPSPXJEVQYQDM-MRVPVSSYSA-N -1 0 325.773 3.506 20 0 EHADRM CCS[C@@H](C)c1noc(CSCc2cc(C(=O)[O-])c(C)o2)n1 ZINC000830149110 602179020 /nfs/dbraw/zinc/17/90/20/602179020.db2.gz DIMQPCLDTUNEMO-VIFPVBQESA-N -1 0 342.442 3.917 20 0 EHADRM O=C([O-])c1csc(NC(=O)C(F)(F)c2cccc(Cl)c2)c1 ZINC000833340206 602184109 /nfs/dbraw/zinc/18/41/09/602184109.db2.gz CGKOXEJYKVXNFC-UHFFFAOYSA-N -1 0 331.727 3.830 20 0 EHADRM O=C(/C=C/c1nc2ccccc2s1)Nc1cc(C(=O)[O-])cs1 ZINC000191327426 602188626 /nfs/dbraw/zinc/18/86/26/602188626.db2.gz FAZSNOCWZDCSTF-AATRIKPKSA-N -1 0 330.390 3.708 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000832958423 602190102 /nfs/dbraw/zinc/19/01/02/602190102.db2.gz DLGLXQMHIKAJEU-UHFFFAOYSA-N -1 0 336.391 3.512 20 0 EHADRM C/C(=C/C(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccc(F)cc1 ZINC000738505462 602198320 /nfs/dbraw/zinc/19/83/20/602198320.db2.gz RYNOXFSILYMKRX-XFXZXTDPSA-N -1 0 328.343 3.635 20 0 EHADRM COc1cc(Cl)ccc1C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739863662 602239081 /nfs/dbraw/zinc/23/90/81/602239081.db2.gz KXEMLSIFIKNEOR-UHFFFAOYSA-N -1 0 346.770 3.641 20 0 EHADRM C[C@H](NC(=O)Cc1ccc(NC(=O)[O-])cc1)C(C)(C)c1ccccc1 ZINC000738965196 602241078 /nfs/dbraw/zinc/24/10/78/602241078.db2.gz OOFSSJQUUPYPOS-AWEZNQCLSA-N -1 0 340.423 3.802 20 0 EHADRM CC[C@@](NC(=O)c1ccc(Cl)cc1C)(C(=O)[O-])c1ccccc1 ZINC000439894848 602248428 /nfs/dbraw/zinc/24/84/28/602248428.db2.gz OPJAFLNZDSTRCH-SFHVURJKSA-N -1 0 331.799 3.768 20 0 EHADRM CCN(Cc1ccccc1NC(=O)Cc1cc(C)ccc1C)C(=O)[O-] ZINC000739441726 602248638 /nfs/dbraw/zinc/24/86/38/602248638.db2.gz ATZDDTQOWSLTHU-UHFFFAOYSA-N -1 0 340.423 3.985 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)c3c[nH]cc3-c3ccccc3)ccc21 ZINC000740470970 602253934 /nfs/dbraw/zinc/25/39/34/602253934.db2.gz QNSMHEKSTRXAQI-UHFFFAOYSA-N -1 0 347.374 3.975 20 0 EHADRM CC[C@H](NC(=O)c1ccc(CNC(=O)[O-])cc1)c1ccc(C)cc1 ZINC000739266476 602258751 /nfs/dbraw/zinc/25/87/51/602258751.db2.gz CHJFEELBCJAMHN-KRWDZBQOSA-N -1 0 326.396 3.644 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2cc(Cl)c[nH]2)c2ccccc12 ZINC000237962405 602260739 /nfs/dbraw/zinc/26/07/39/602260739.db2.gz FLPCWYZVUWZDKU-UHFFFAOYSA-N -1 0 344.754 3.537 20 0 EHADRM Cc1cc(COC(=O)c2cc(C(F)(F)F)ccc2F)oc1C(=O)[O-] ZINC000832884873 602262638 /nfs/dbraw/zinc/26/26/38/602262638.db2.gz GZBODQIJLFVAHL-UHFFFAOYSA-N -1 0 346.232 3.801 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cc(C(F)(F)F)ccc2F)cc1 ZINC000833314850 602263160 /nfs/dbraw/zinc/26/31/60/602263160.db2.gz ACMRGLHPFZUGGU-UHFFFAOYSA-N -1 0 342.244 3.900 20 0 EHADRM CCC[C@@H](NC(=O)c1ccc(CNC(=O)[O-])cc1)c1ccccc1 ZINC000739330025 602266594 /nfs/dbraw/zinc/26/65/94/602266594.db2.gz OWVVCDGDEDSHGH-QGZVFWFLSA-N -1 0 326.396 3.725 20 0 EHADRM CC(C)c1ccsc1C(=O)Nc1cccc(OCCNC(=O)[O-])c1 ZINC000738877372 602272846 /nfs/dbraw/zinc/27/28/46/602272846.db2.gz QANNYUPROYHUAE-UHFFFAOYSA-N -1 0 348.424 3.770 20 0 EHADRM COc1ccc(NC(=O)NC2(c3ccccc3)CC2)cc1NC(=O)[O-] ZINC000739919457 602276279 /nfs/dbraw/zinc/27/62/79/602276279.db2.gz OJUDBRDAEINFHC-UHFFFAOYSA-N -1 0 341.367 3.596 20 0 EHADRM C[C@H](CC(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1)c1ccncc1 ZINC000827240501 602296597 /nfs/dbraw/zinc/29/65/97/602296597.db2.gz LOBFIOIGKPCGTN-SNVBAGLBSA-N -1 0 347.440 3.666 20 0 EHADRM CCC(=CC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12)CC ZINC000828550060 602317293 /nfs/dbraw/zinc/31/72/93/602317293.db2.gz RVBNAZSCVXPAFF-UHFFFAOYSA-N -1 0 327.380 3.988 20 0 EHADRM O=C([O-])NC1CCC(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000740557175 602330641 /nfs/dbraw/zinc/33/06/41/602330641.db2.gz IZGYVMHVCKJZCG-UHFFFAOYSA-N -1 0 331.199 3.758 20 0 EHADRM C/C(=C\C(=O)N(C)c1ncc(C(=O)[O-])s1)c1cccc(Cl)c1 ZINC000825716659 602334363 /nfs/dbraw/zinc/33/43/63/602334363.db2.gz MTANOVPJDAFAJJ-RMKNXTFCSA-N -1 0 336.800 3.561 20 0 EHADRM O=C([O-])CN(Cc1coc(-c2cccc(Cl)c2)n1)C1CCCC1 ZINC000320081975 602334913 /nfs/dbraw/zinc/33/49/13/602334913.db2.gz TVNGZUTVNGAJLL-UHFFFAOYSA-N -1 0 334.803 3.824 20 0 EHADRM C[C@H](NC(=O)C1(NC(=O)[O-])CCCC1)c1cccc2ccccc21 ZINC000738953800 602342780 /nfs/dbraw/zinc/34/27/80/602342780.db2.gz SFNRIXZVKSWCEW-ZDUSSCGKSA-N -1 0 326.396 3.597 20 0 EHADRM Cc1cccc(OCCCC(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000392333825 602353341 /nfs/dbraw/zinc/35/33/41/602353341.db2.gz UESLJRVMSXIESU-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)cc1F ZINC000833153012 602354132 /nfs/dbraw/zinc/35/41/32/602354132.db2.gz BXFGFZOEHAASCC-UHFFFAOYSA-N -1 0 344.273 3.570 20 0 EHADRM C[C@@H](CC(=O)c1ccccc1F)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000827398013 602356535 /nfs/dbraw/zinc/35/65/35/602356535.db2.gz QNYNXYLFQBSWOT-JTQLQIEISA-N -1 0 347.317 3.511 20 0 EHADRM O=C([O-])NC1CCC(C(=O)Nc2ccc(-c3nccs3)cc2)CC1 ZINC000740558429 602359552 /nfs/dbraw/zinc/35/95/52/602359552.db2.gz VVVFMEUYJBSSFY-UHFFFAOYSA-N -1 0 345.424 3.575 20 0 EHADRM Cn1cc(NC(=O)NC(C)(C)Cc2ccccc2Cl)cc1C(=O)[O-] ZINC000833048221 602360808 /nfs/dbraw/zinc/36/08/08/602360808.db2.gz FXRQYXDMSOPYLG-UHFFFAOYSA-N -1 0 349.818 3.520 20 0 EHADRM Cn1cc(NC(=O)N2CCCC[C@@H]2c2ccc(F)cc2)cc1C(=O)[O-] ZINC000833048588 602369586 /nfs/dbraw/zinc/36/95/86/602369586.db2.gz LQTZJYIUEJYDEU-OAHLLOKOSA-N -1 0 345.374 3.622 20 0 EHADRM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000828149461 602373066 /nfs/dbraw/zinc/37/30/66/602373066.db2.gz JTRVNALQYORXTE-IUODEOHRSA-N -1 0 342.370 3.934 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2)cc1F ZINC000833320459 602374033 /nfs/dbraw/zinc/37/40/33/602374033.db2.gz XHRUMJXXFNLQMB-MRXNPFEDSA-N -1 0 328.343 3.893 20 0 EHADRM Cn1cc(NC(=O)N[C@@H](c2ccccc2)C(C)(C)C)cc1C(=O)[O-] ZINC000833048026 602374107 /nfs/dbraw/zinc/37/41/07/602374107.db2.gz CFIASZGBBVRERZ-HNNXBMFYSA-N -1 0 329.400 3.632 20 0 EHADRM CN(Cc1cccc2ccccc21)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000830852622 602377553 /nfs/dbraw/zinc/37/75/53/602377553.db2.gz RICPFEOLMYUVJX-UHFFFAOYSA-N -1 0 337.379 3.540 20 0 EHADRM Cc1cc([C@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)ccc1F ZINC000832870446 602378786 /nfs/dbraw/zinc/37/87/86/602378786.db2.gz IGUIXHHWWRCDPV-JTQLQIEISA-N -1 0 334.322 3.854 20 0 EHADRM CCS[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000830158771 602378801 /nfs/dbraw/zinc/37/88/01/602378801.db2.gz ZWODNPNBSLIWDK-UONOGXRCSA-N -1 0 340.420 3.710 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)ccc1F ZINC000832870447 602378863 /nfs/dbraw/zinc/37/88/63/602378863.db2.gz IGUIXHHWWRCDPV-SNVBAGLBSA-N -1 0 334.322 3.854 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(C)C(=O)C1CCC(NC(=O)[O-])CC1 ZINC000739056999 602381353 /nfs/dbraw/zinc/38/13/53/602381353.db2.gz HDYWTLNOYVQMKC-HIFPTAJRSA-N -1 0 338.835 3.686 20 0 EHADRM CC(C)CN(CCc1ccccc1)C(=O)C1CCC(NC(=O)[O-])CC1 ZINC000738819089 602383448 /nfs/dbraw/zinc/38/34/48/602383448.db2.gz FDOIKEOYTASJSQ-UHFFFAOYSA-N -1 0 346.471 3.540 20 0 EHADRM CC(C)c1nc2cc(NC(=O)CCN(C(=O)[O-])C(C)C)ccc2o1 ZINC000738880179 602389188 /nfs/dbraw/zinc/38/91/88/602389188.db2.gz NKWWIPACKDTAHE-UHFFFAOYSA-N -1 0 333.388 3.668 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2csc(Br)c2)cc1F ZINC000224824442 602393420 /nfs/dbraw/zinc/39/34/20/602393420.db2.gz ADHPNOZVDDBMFH-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccccc2OC2CCC2)cc1F ZINC000767200046 602394622 /nfs/dbraw/zinc/39/46/22/602394622.db2.gz FDKAFUSJBAMGSH-UHFFFAOYSA-N -1 0 329.327 3.708 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N(CC(=O)[O-])C1CCCC1 ZINC000320232802 602400370 /nfs/dbraw/zinc/40/03/70/602400370.db2.gz VKYWOWJIKDJGKC-UHFFFAOYSA-N -1 0 335.787 3.864 20 0 EHADRM COc1ccc(-c2noc(-c3ccc(NC(=O)[O-])cc3)n2)cc1OC ZINC000737914766 602404787 /nfs/dbraw/zinc/40/47/87/602404787.db2.gz XDTXURGPYRQZQT-UHFFFAOYSA-N -1 0 341.323 3.511 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(-c2ccc(OC(C)C)cc2)n1 ZINC000738814932 602410021 /nfs/dbraw/zinc/41/00/21/602410021.db2.gz DOOYITICKDVULX-CQSZACIVSA-N -1 0 333.388 3.879 20 0 EHADRM CSCc1ccc(-c2nc([C@@H](CC(C)C)NC(=O)[O-])no2)cc1 ZINC000740013891 602411205 /nfs/dbraw/zinc/41/12/05/602411205.db2.gz GDQIHBQEQHLHSC-CYBMUJFWSA-N -1 0 335.429 3.954 20 0 EHADRM CCCN(Cc1ccccc1)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739359150 602451507 /nfs/dbraw/zinc/45/15/07/602451507.db2.gz IMNTWGPFMLCFII-UHFFFAOYSA-N -1 0 341.411 3.898 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)Nc1ccc(F)cc1F)c1ccccc1 ZINC000740540500 602453974 /nfs/dbraw/zinc/45/39/74/602453974.db2.gz QIXBAKAFDRUHPH-AWEZNQCLSA-N -1 0 334.322 3.692 20 0 EHADRM Cc1ccc(CN(C)C(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000740123463 602454312 /nfs/dbraw/zinc/45/43/12/602454312.db2.gz UCWISEALOYXFAZ-GOSISDBHSA-N -1 0 340.423 3.743 20 0 EHADRM CCN(Cc1ccccc1NC(=O)c1cnc(C2CC2)s1)C(=O)[O-] ZINC000739441652 602460562 /nfs/dbraw/zinc/46/05/62/602460562.db2.gz CXVRASYMMHNERN-UHFFFAOYSA-N -1 0 345.424 3.773 20 0 EHADRM C/C(=C\C(=O)Nc1ccccc1CN(C)C(=O)[O-])c1cccc(F)c1 ZINC000738506208 602460770 /nfs/dbraw/zinc/46/07/70/602460770.db2.gz WMQZTEKHALFKJC-JLHYYAGUSA-N -1 0 342.370 3.978 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)Nc1cccc(F)c1F)c1ccccc1 ZINC000740538968 602465766 /nfs/dbraw/zinc/46/57/66/602465766.db2.gz GWXBEGREONDZKP-CYBMUJFWSA-N -1 0 334.322 3.692 20 0 EHADRM O=C([O-])NC1CCC(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)CC1 ZINC000740554585 602476495 /nfs/dbraw/zinc/47/64/95/602476495.db2.gz XFYHXUQJBBXMAW-BDVYOWHSSA-N -1 0 348.418 3.610 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2ccc(F)c(F)c2F)ccc1F ZINC000740697220 602481328 /nfs/dbraw/zinc/48/13/28/602481328.db2.gz HKRSRUPWOLUKRA-UHFFFAOYSA-N -1 0 328.221 3.585 20 0 EHADRM CC[C@H](CNC(=O)c1ccc(F)c(NC(=O)[O-])c1)c1ccccc1 ZINC000739257447 602481565 /nfs/dbraw/zinc/48/15/65/602481565.db2.gz GRNLXUMORSVRJA-GFCCVEGCSA-N -1 0 330.359 3.839 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CCc3ccc(Cl)cc32)ccc1F ZINC000740695240 602487107 /nfs/dbraw/zinc/48/71/07/602487107.db2.gz GLQCCBMEIFZIKN-UHFFFAOYSA-N -1 0 334.734 3.772 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1 ZINC000740712336 602499551 /nfs/dbraw/zinc/49/95/51/602499551.db2.gz OIPRDYGVCMUIBT-UHFFFAOYSA-N -1 0 326.686 3.960 20 0 EHADRM CCOC(=O)Nc1ccc(C(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000739473192 602500412 /nfs/dbraw/zinc/50/04/12/602500412.db2.gz DKYVIPZLSIOVBX-UHFFFAOYSA-N -1 0 343.339 3.597 20 0 EHADRM Cc1nc(-c2c[nH]c(C(=O)Nc3ccc(NC(=O)[O-])cc3)c2)cs1 ZINC000740206409 602500623 /nfs/dbraw/zinc/50/06/23/602500623.db2.gz DDTHMPPIUTVWES-UHFFFAOYSA-N -1 0 342.380 3.789 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)c3ccc4cc[nH]c4c3)ccc21 ZINC000740472256 602509110 /nfs/dbraw/zinc/50/91/10/602509110.db2.gz RWKUYNDGTIJVMZ-UHFFFAOYSA-N -1 0 335.363 3.851 20 0 EHADRM CCCN(C(=O)c1csc2ccccc12)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739344825 602514488 /nfs/dbraw/zinc/51/44/88/602514488.db2.gz KJEAKIXAQVNMMB-GFCCVEGCSA-N -1 0 332.425 3.506 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2cccc(CNC(=O)[O-])c2)o1 ZINC000739078993 602516951 /nfs/dbraw/zinc/51/69/51/602516951.db2.gz BQSHRTZMSOAUFD-WBMJQRKESA-N -1 0 342.395 3.742 20 0 EHADRM CN(C(=O)[O-])C1CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000737930579 602558101 /nfs/dbraw/zinc/55/81/01/602558101.db2.gz VHULZQXVAFUTJP-UHFFFAOYSA-N -1 0 346.214 3.600 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@H]([C@@H]3CCCN3C(=O)[O-])C2)c(F)c1 ZINC000740142256 602581104 /nfs/dbraw/zinc/58/11/04/602581104.db2.gz VQEYDEXHFONYSK-BBRMVZONSA-N -1 0 349.406 3.520 20 0 EHADRM Cc1cccc2c1CCN(C(=O)Nc1ccc(NC(=O)[O-])cc1)C2 ZINC000738321287 602599489 /nfs/dbraw/zinc/59/94/89/602599489.db2.gz SFWKBKRHDFKAET-UHFFFAOYSA-N -1 0 325.368 3.675 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)Nc2ccc(NC(=O)[O-])cc2)o1 ZINC000739093810 602600724 /nfs/dbraw/zinc/60/07/24/602600724.db2.gz YGQASJNASRZAOI-YGRLFVJLSA-N -1 0 329.356 3.815 20 0 EHADRM CN(C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2)C1CCCCC1 ZINC000739575209 602608414 /nfs/dbraw/zinc/60/84/14/602608414.db2.gz IYJAHRXHBGMLLH-UHFFFAOYSA-N -1 0 331.416 3.519 20 0 EHADRM CC[C@@H]1CCCCN1C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2 ZINC000739274257 602609222 /nfs/dbraw/zinc/60/92/22/602609222.db2.gz VUJFNYATBQWGLE-MRXNPFEDSA-N -1 0 331.416 3.519 20 0 EHADRM C[C@H](NC(=O)CC1CCN(C(=O)[O-])CC1)c1csc2ccccc21 ZINC000738961967 602675961 /nfs/dbraw/zinc/67/59/61/602675961.db2.gz ULUKACYTUXYUBY-LBPRGKRZSA-N -1 0 346.452 3.859 20 0 EHADRM CC(C)c1ccc2c(Cl)c(C(=O)NCCNC(=O)[O-])sc2c1 ZINC000738874887 602688216 /nfs/dbraw/zinc/68/82/16/602688216.db2.gz DNECRJKKINCBNS-UHFFFAOYSA-N -1 0 340.832 3.676 20 0 EHADRM O=C([O-])N1CCC(n2cccc2C(=O)Nc2ccccc2Cl)CC1 ZINC000740476330 602710135 /nfs/dbraw/zinc/71/01/35/602710135.db2.gz LKYYHNBGHVQEHQ-UHFFFAOYSA-N -1 0 347.802 3.709 20 0 EHADRM Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)C1CCN(C(=O)[O-])CC1 ZINC000738324663 602716756 /nfs/dbraw/zinc/71/67/56/602716756.db2.gz ZDBAMHILIGPQHG-QGZVFWFLSA-N -1 0 332.444 3.541 20 0 EHADRM COc1ccccc1C/C(C)=C/C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738123823 602726841 /nfs/dbraw/zinc/72/68/41/602726841.db2.gz JILXUEXHIGVDKY-OUKQBFOZSA-N -1 0 340.379 3.913 20 0 EHADRM CC[C@H](OC(=O)c1csc(CNC(=O)[O-])n1)c1ccc(C)cc1 ZINC000739276203 602727970 /nfs/dbraw/zinc/72/79/70/602727970.db2.gz CQENSYQJWWVKHT-ZDUSSCGKSA-N -1 0 334.397 3.527 20 0 EHADRM CN(CCc1ccccc1F)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000737447121 602752891 /nfs/dbraw/zinc/75/28/91/602752891.db2.gz KZVVSYXZVRBDHO-UHFFFAOYSA-N -1 0 331.347 3.622 20 0 EHADRM CCCCC[C@@H](NC(=O)C1CCC(NC(=O)[O-])CC1)C(C)(C)C ZINC000739329194 602762814 /nfs/dbraw/zinc/76/28/14/602762814.db2.gz GXRQDNCJHQYNQL-YMAMQOFZSA-N -1 0 326.481 3.924 20 0 EHADRM CCCCC[C@H](NC(=O)C1CCC(NC(=O)[O-])CC1)C(C)(C)C ZINC000739329190 602763245 /nfs/dbraw/zinc/76/32/45/602763245.db2.gz GXRQDNCJHQYNQL-NRXISQOPSA-N -1 0 326.481 3.924 20 0 EHADRM CC1(C)CC[C@H](NC(=O)c2ccc(CNC(=O)[O-])o2)c2ccccc21 ZINC000825713524 602764813 /nfs/dbraw/zinc/76/48/13/602764813.db2.gz BSUHHNSLDRKQDP-HNNXBMFYSA-N -1 0 342.395 3.590 20 0 EHADRM C[C@@H](CC(=O)N1CCC(c2cccc3ccccc32)CC1)NC(=O)[O-] ZINC000824571497 602766355 /nfs/dbraw/zinc/76/63/55/602766355.db2.gz ILQDABMJBOYSLG-AWEZNQCLSA-N -1 0 340.423 3.592 20 0 EHADRM CC(C)(CCC(=O)O[C@H](c1ccccc1)c1ccccn1)NC(=O)[O-] ZINC000738744238 602787509 /nfs/dbraw/zinc/78/75/09/602787509.db2.gz HXBDHEAXEULZPB-QGZVFWFLSA-N -1 0 342.395 3.541 20 0 EHADRM CC(C)(CCC(=O)Oc1ccc(Oc2ccccn2)cc1)NC(=O)[O-] ZINC000738746427 602787719 /nfs/dbraw/zinc/78/77/19/602787719.db2.gz SJGYPIQGZXOUGX-UHFFFAOYSA-N -1 0 344.367 3.606 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(C)C(=O)CCC(C)(C)NC(=O)[O-] ZINC000739060746 602788947 /nfs/dbraw/zinc/78/89/47/602788947.db2.gz VGFLOCOMVNYFED-NSHDSACASA-N -1 0 326.824 3.686 20 0 EHADRM CC(C)(CCC(=O)Nc1ccc(F)cc1C(F)(F)F)NC(=O)[O-] ZINC000738745247 602802338 /nfs/dbraw/zinc/80/23/38/602802338.db2.gz VKUWPZOFGQCFDT-UHFFFAOYSA-N -1 0 336.285 3.609 20 0 EHADRM CC(C)(CCC(=O)NC(C)(C)Cc1ccccc1Cl)NC(=O)[O-] ZINC000738744026 602802510 /nfs/dbraw/zinc/80/25/10/602802510.db2.gz QVGDTSMDFNDBQT-UHFFFAOYSA-N -1 0 340.851 3.604 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1)NC(=O)[O-] ZINC000824696160 602804473 /nfs/dbraw/zinc/80/44/73/602804473.db2.gz QYSKHZNYTCHKAU-KBPBESRZSA-N -1 0 341.411 3.844 20 0 EHADRM Cc1sc(CN(C)C(=O)[O-])nc1-c1ccc(NC(=O)C(C)C)cc1 ZINC000740278277 602810972 /nfs/dbraw/zinc/81/09/72/602810972.db2.gz AZBQVEPVEVZSSF-UHFFFAOYSA-N -1 0 347.440 3.823 20 0 EHADRM Cc1ccc(C(=O)N2CCCc3c(F)cc(F)cc32)cc1NC(=O)[O-] ZINC000830192744 602812496 /nfs/dbraw/zinc/81/24/96/602812496.db2.gz OGGJKLTXVRXWHC-UHFFFAOYSA-N -1 0 346.333 3.956 20 0 EHADRM CC(C)(C)c1ncc(C=CC(=O)Nc2ccc(NC(=O)[O-])nc2)s1 ZINC000823870287 602828146 /nfs/dbraw/zinc/82/81/46/602828146.db2.gz TYOUNAXFHRRCJN-FNORWQNLSA-N -1 0 346.412 3.577 20 0 EHADRM COc1ccccc1[C@H](NC(=O)[O-])C(=O)Nc1ccc(Cl)cc1C ZINC000739968632 602887671 /nfs/dbraw/zinc/88/76/71/602887671.db2.gz NHAYABVSXLGXFM-HNNXBMFYSA-N -1 0 348.786 3.604 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC[C@H]1NC(=O)[O-] ZINC000739150170 602908723 /nfs/dbraw/zinc/90/87/23/602908723.db2.gz VMPPKKXBHUPMSR-PRHODGIISA-N -1 0 346.214 3.503 20 0 EHADRM CCc1ccccc1CNC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739547958 602919977 /nfs/dbraw/zinc/91/99/77/602919977.db2.gz PTDCXWCCZMQTEZ-UHFFFAOYSA-N -1 0 339.395 3.611 20 0 EHADRM Cc1ccc(-c2csc(NC(=O)CC(C)(C)NC(=O)[O-])n2)s1 ZINC000740094618 602939474 /nfs/dbraw/zinc/93/94/74/602939474.db2.gz LMKUJODSDPMQIW-UHFFFAOYSA-N -1 0 339.442 3.555 20 0 EHADRM COc1ccc([C@@H]2CCCCCN2C(=O)CC(C)(C)NC(=O)[O-])cc1 ZINC000739894352 602942921 /nfs/dbraw/zinc/94/29/21/602942921.db2.gz RVHSDZBOGHEKKQ-INIZCTEOSA-N -1 0 348.443 3.575 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NC[C@@H](C)C(C)(C)C ZINC000829183182 602943627 /nfs/dbraw/zinc/94/36/27/602943627.db2.gz XAFGLGKTFLPCOD-SECBINFHSA-N -1 0 342.823 3.851 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)Cc2c[nH]c3ccc(F)cc23)cc1 ZINC000738668857 602959814 /nfs/dbraw/zinc/95/98/14/602959814.db2.gz GKCFKWADXZZZPJ-UHFFFAOYSA-N -1 0 328.299 3.545 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)c2cccnc2SC(F)F)cc1 ZINC000738669421 602959977 /nfs/dbraw/zinc/95/99/77/602959977.db2.gz ROQTTWMGLVKXJW-UHFFFAOYSA-N -1 0 340.307 3.705 20 0 EHADRM Cc1ccc(C(=O)N[C@@H]2CSc3ccccc32)cc1NC(=O)[O-] ZINC000830211590 602961655 /nfs/dbraw/zinc/96/16/55/602961655.db2.gz UYFSAUYKVZNVMF-CQSZACIVSA-N -1 0 328.393 3.662 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)c2ccc(C)c(NC(=O)[O-])c2)s1 ZINC000830288331 602971902 /nfs/dbraw/zinc/97/19/02/602971902.db2.gz JOOFIBBMPCHYDL-NSHDSACASA-N -1 0 332.425 3.816 20 0 EHADRM CC(C)(CNC(=O)c1ccc(F)c(NC(=O)[O-])c1)Cc1ccccc1 ZINC000738753266 602979914 /nfs/dbraw/zinc/97/99/14/602979914.db2.gz TYRUKKWXCPSDQQ-UHFFFAOYSA-N -1 0 344.386 3.914 20 0 EHADRM CCSCc1cccc(NC(=O)c2ccc(CNC(=O)[O-])o2)c1 ZINC000827508041 602989802 /nfs/dbraw/zinc/98/98/02/602989802.db2.gz IEPXEGOFDRNVFY-UHFFFAOYSA-N -1 0 334.397 3.553 20 0 EHADRM CC(C)[C@@H](OC(=O)c1ccc(F)c(NC(=O)[O-])c1)c1ccccn1 ZINC000738800262 602996293 /nfs/dbraw/zinc/99/62/93/602996293.db2.gz LSWSIAATNBMGGJ-OAHLLOKOSA-N -1 0 332.331 3.865 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)NC[C@H]1CCCN1C(=O)[O-] ZINC000738761184 603002572 /nfs/dbraw/zinc/00/25/72/603002572.db2.gz XUIQOYSNCZSMCW-CQSZACIVSA-N -1 0 348.468 3.617 20 0 EHADRM C/C(=C\C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccccc1Cl ZINC000738503890 603002714 /nfs/dbraw/zinc/00/27/14/603002714.db2.gz JNVWXMMQXYGJQE-JHLDUVECSA-N -1 0 348.830 3.533 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)C=Cc1ccnc2ccccc12 ZINC000740713842 603006994 /nfs/dbraw/zinc/00/69/94/603006994.db2.gz BMOAQCQNFOZLER-KTKRTIGZSA-N -1 0 333.347 3.977 20 0 EHADRM COc1cccc(F)c1[C@@H](C)NC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000829565119 603007505 /nfs/dbraw/zinc/00/75/05/603007505.db2.gz RBYAMUSGZOURRK-LLVKDONJSA-N -1 0 346.358 3.724 20 0 EHADRM CC(C)c1cc(-c2nc([C@H](C)CN(C)C(=O)[O-])no2)nn1C(C)(C)C ZINC000738872889 603013271 /nfs/dbraw/zinc/01/32/71/603013271.db2.gz LMEVTUUGOSAJCW-LLVKDONJSA-N -1 0 349.435 3.525 20 0 EHADRM COC(=O)[C@@H](Nc1ccc(NC(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000737580416 603024677 /nfs/dbraw/zinc/02/46/77/603024677.db2.gz UNTRAWDYOPZGCK-AWEZNQCLSA-N -1 0 334.759 3.756 20 0 EHADRM CCSc1ccccc1C(=O)NC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000739520161 603025329 /nfs/dbraw/zinc/02/53/29/603025329.db2.gz GLBSBIZHMXMWTN-OAHLLOKOSA-N -1 0 344.436 3.537 20 0 EHADRM CC(C)N(CCC(=O)Nc1cccc(NC2CCCC2)c1)C(=O)[O-] ZINC000738843084 603027383 /nfs/dbraw/zinc/02/73/83/603027383.db2.gz BWFUZCBHJAIKBY-UHFFFAOYSA-N -1 0 333.432 3.758 20 0 EHADRM CC(C)(CCCc1ccccc1)CNC(=O)C1CCN(C(=O)[O-])CC1 ZINC000737588865 603033882 /nfs/dbraw/zinc/03/38/82/603033882.db2.gz HIXWYHQQYMLLDS-UHFFFAOYSA-N -1 0 346.471 3.542 20 0 EHADRM CCc1ccc(CNC(=O)Nc2cc(NC(=O)[O-])ccc2F)s1 ZINC000739541351 603034361 /nfs/dbraw/zinc/03/43/61/603034361.db2.gz FHRKOXZFSPGUJJ-UHFFFAOYSA-N -1 0 337.376 3.861 20 0 EHADRM Cc1cccc(CCNC(=O)Nc2cc(NC(=O)[O-])ccc2F)c1 ZINC000740171322 603040041 /nfs/dbraw/zinc/04/00/41/603040041.db2.gz QCHIRHILMCFYKM-UHFFFAOYSA-N -1 0 331.347 3.588 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000825025140 603040244 /nfs/dbraw/zinc/04/02/44/603040244.db2.gz ZYNFHTJHRFOMIM-LBPRGKRZSA-N -1 0 331.343 3.724 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)CCc2ccc(Cl)cc2)cc1 ZINC000827908085 603044467 /nfs/dbraw/zinc/04/44/67/603044467.db2.gz IRJDRAWBNOZTML-UHFFFAOYSA-N -1 0 333.771 3.992 20 0 EHADRM CC(C)[C@H](C)N(CC(F)(F)F)C(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000738763614 603100372 /nfs/dbraw/zinc/10/03/72/603100372.db2.gz BDLCLJHKQULZFA-NSHDSACASA-N -1 0 346.349 3.754 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CC[C@@H]2c2cccc(F)c2)ccc1F ZINC000832817791 603101630 /nfs/dbraw/zinc/10/16/30/603101630.db2.gz ORGZEXUKSNRZOX-OAHLLOKOSA-N -1 0 332.306 3.642 20 0 EHADRM Cc1cccc(NC(=O)CNc2ccc([C@@H](C)NC(=O)[O-])cc2)c1C ZINC000740170382 603102691 /nfs/dbraw/zinc/10/26/91/603102691.db2.gz LUZFTEAGJFWOJP-CQSZACIVSA-N -1 0 341.411 3.683 20 0 EHADRM CN(C(=O)c1ccc(F)c(NC(=O)[O-])c1)[C@@H]1CCc2ccccc2C1 ZINC000739592983 603103090 /nfs/dbraw/zinc/10/30/90/603103090.db2.gz CYOOXIFETNJFHV-OAHLLOKOSA-N -1 0 342.370 3.545 20 0 EHADRM CN(Cc1ccccc1NC(=O)NCc1ccccc1Cl)C(=O)[O-] ZINC000739718891 603142404 /nfs/dbraw/zinc/14/24/04/603142404.db2.gz XEDUKPNBHMJQFU-UHFFFAOYSA-N -1 0 347.802 3.772 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@H](C(=O)Nc2nc(-c3ccccc3)cs2)C1 ZINC000740561544 603149481 /nfs/dbraw/zinc/14/94/81/603149481.db2.gz DEFCOQDHEZOCNF-STQMWFEESA-N -1 0 345.424 3.575 20 0 EHADRM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000738891198 603163609 /nfs/dbraw/zinc/16/36/09/603163609.db2.gz QLPHNDKLFVQBDE-OLMNPRSZSA-N -1 0 344.455 3.640 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)c(C)c1 ZINC000740108725 603166472 /nfs/dbraw/zinc/16/64/72/603166472.db2.gz BHPRHDJAXZKIFE-JYJNAYRXSA-N -1 0 332.444 3.649 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000825418896 603180466 /nfs/dbraw/zinc/18/04/66/603180466.db2.gz YVYFPRFMNABZOX-AWEZNQCLSA-N -1 0 342.395 3.813 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1 ZINC000825414961 603182768 /nfs/dbraw/zinc/18/27/68/603182768.db2.gz CODWRTGQMDNQPG-JECHBYEQSA-N -1 0 342.370 3.897 20 0 EHADRM Cc1ccc(OCC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)c(C)c1 ZINC000830407672 603188874 /nfs/dbraw/zinc/18/88/74/603188874.db2.gz RWHXPDWDGIIHFB-CQSZACIVSA-N -1 0 342.395 3.650 20 0 EHADRM Cc1ccc(OCC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)c(C)c1 ZINC000830407671 603189005 /nfs/dbraw/zinc/18/90/05/603189005.db2.gz RWHXPDWDGIIHFB-AWEZNQCLSA-N -1 0 342.395 3.650 20 0 EHADRM Cc1cccc(O[C@H](C)C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)c1 ZINC000830522330 603194365 /nfs/dbraw/zinc/19/43/65/603194365.db2.gz PXMNZGHHQDUFDE-ZIAGYGMSSA-N -1 0 342.395 3.730 20 0 EHADRM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)c1 ZINC000830522327 603194463 /nfs/dbraw/zinc/19/44/63/603194463.db2.gz PXMNZGHHQDUFDE-KBPBESRZSA-N -1 0 342.395 3.730 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)C1 ZINC000740564017 603196729 /nfs/dbraw/zinc/19/67/29/603196729.db2.gz MBAXYQRTMCFSEE-USXIJHARSA-N -1 0 348.418 3.610 20 0 EHADRM CCOc1c(F)cccc1C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000827407835 603196937 /nfs/dbraw/zinc/19/69/37/603196937.db2.gz AIFHPXLZXQJJHE-LLVKDONJSA-N -1 0 346.358 3.805 20 0 EHADRM Cc1cccc(Oc2ccccc2NC(=O)[C@H]2CCN(C(=O)[O-])C2)c1 ZINC000740174518 603202902 /nfs/dbraw/zinc/20/29/02/603202902.db2.gz UMJIWZYZBQZDIW-AWEZNQCLSA-N -1 0 340.379 3.726 20 0 EHADRM CC(C)[C@H](c1ccccc1)N(C)C(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000738799206 603203678 /nfs/dbraw/zinc/20/36/78/603203678.db2.gz HCIQEOZARCKQIA-IXDOHACOSA-N -1 0 332.444 3.669 20 0 EHADRM Cc1cc(Nc2ccc([C@H](C)NC(=O)[O-])cc2)nc(-c2cccnc2)n1 ZINC000830121611 603206773 /nfs/dbraw/zinc/20/67/73/603206773.db2.gz FXNTUMRAUUXZIX-ZDUSSCGKSA-N -1 0 349.394 3.919 20 0 EHADRM Cc1cccc(NC(=O)[C@H](C)[C@H](NC(=O)[O-])c2ccccc2)c1C ZINC000830512198 603212433 /nfs/dbraw/zinc/21/24/33/603212433.db2.gz VJGMYKKFFGXQCY-PBHICJAKSA-N -1 0 326.396 3.887 20 0 EHADRM Cc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1NC(=O)[O-] ZINC000830206321 603216782 /nfs/dbraw/zinc/21/67/82/603216782.db2.gz ZEAFVSZJSFACNJ-CQSZACIVSA-N -1 0 326.396 3.836 20 0 EHADRM CCC(CC)N(CCOC)C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739254771 603219820 /nfs/dbraw/zinc/21/98/20/603219820.db2.gz ULBHMSLIGVDMDK-UHFFFAOYSA-N -1 0 342.823 3.707 20 0 EHADRM COCc1cccc(CNC(=O)c2ccc(NC(=O)[O-])cc2Cl)c1 ZINC000739843196 603221189 /nfs/dbraw/zinc/22/11/89/603221189.db2.gz NYITYSIXPJXRNA-UHFFFAOYSA-N -1 0 348.786 3.506 20 0 EHADRM Cc1ccc2oc(NCc3ccc(CCNC(=O)[O-])cc3)nc2c1 ZINC000740159186 603231990 /nfs/dbraw/zinc/23/19/90/603231990.db2.gz LMHRCCKNQOSAAV-UHFFFAOYSA-N -1 0 325.368 3.558 20 0 EHADRM CCc1ccccc1CNC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739548361 603255006 /nfs/dbraw/zinc/25/50/06/603255006.db2.gz QRCGXFAFLIJKFJ-UHFFFAOYSA-N -1 0 332.787 3.922 20 0 EHADRM COc1ccc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1NC(=O)[O-] ZINC000829465200 603270808 /nfs/dbraw/zinc/27/08/08/603270808.db2.gz KOLSWEXGILPJIZ-JHJVBQTASA-N -1 0 347.415 3.875 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(CNC(=O)[O-])o2)c2ccccc2S1 ZINC000825945192 603277460 /nfs/dbraw/zinc/27/74/60/603277460.db2.gz URXJUVYELIUXGB-NSHDSACASA-N -1 0 346.408 3.578 20 0 EHADRM Cc1ccc(C(=O)N(c2ccccc2F)C2CCN(C(=O)[O-])CC2)o1 ZINC000740104863 603301237 /nfs/dbraw/zinc/30/12/37/603301237.db2.gz FVBTYBFSCQCMPS-UHFFFAOYSA-N -1 0 346.358 3.516 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](C)c2cc(F)ccc2F)cc1NC(=O)[O-] ZINC000830204245 603301677 /nfs/dbraw/zinc/30/16/77/603301677.db2.gz FBJUITBYRCQCKP-JTQLQIEISA-N -1 0 334.322 3.854 20 0 EHADRM C[C@@H](NC(=O)[C@@H](NC(=O)[O-])c1cccc(Cl)c1)c1ccccc1 ZINC000738953854 603306417 /nfs/dbraw/zinc/30/64/17/603306417.db2.gz SVXPTMDPVSLBFC-ABAIWWIYSA-N -1 0 332.787 3.526 20 0 EHADRM Cc1nc(C(C)(C)NC(=O)Nc2ccc(NC(=O)[O-])cc2)sc1C ZINC000738348895 603318528 /nfs/dbraw/zinc/31/85/28/603318528.db2.gz ICBNPLUKNDMEMS-UHFFFAOYSA-N -1 0 348.428 3.907 20 0 EHADRM CCC[C@@H]1[C@H](C)CCCN1C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000826767979 603319981 /nfs/dbraw/zinc/31/99/81/603319981.db2.gz ATKJYGQGHBGMDB-CZUORRHYSA-N -1 0 333.432 3.887 20 0 EHADRM CCSc1cccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1 ZINC000827508050 603323742 /nfs/dbraw/zinc/32/37/42/603323742.db2.gz IKWWDMFEYXMNMK-AGUYFDCRSA-N -1 0 349.456 3.594 20 0 EHADRM Cc1cccc2c1CC[C@@H]2NC(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000740179274 603329505 /nfs/dbraw/zinc/32/95/05/603329505.db2.gz LAJRMWJJDDNHJT-KRWDZBQOSA-N -1 0 339.395 3.572 20 0 EHADRM C[C@H]1CCC[C@@H](N(C)C(=O)Nc2ccccc2CN(C)C(=O)[O-])C1 ZINC000739096370 603333323 /nfs/dbraw/zinc/33/33/23/603333323.db2.gz YXWNIFVZMSGMPY-DZGCQCFKSA-N -1 0 333.432 3.839 20 0 EHADRM C[C@H](Cc1cccs1)NC(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000738951640 603333603 /nfs/dbraw/zinc/33/36/03/603333603.db2.gz TZSHDFKMIJNVDQ-GFCCVEGCSA-N -1 0 347.440 3.611 20 0 EHADRM CN(Cc1ccccc1NC(=O)N1CCC[C@@H]1C1CCCC1)C(=O)[O-] ZINC000739712559 603334294 /nfs/dbraw/zinc/33/42/94/603334294.db2.gz FAFQQNWYUJGSJH-QGZVFWFLSA-N -1 0 345.443 3.983 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N([C@@H](C)C1CC1)C1CC1)C(=O)[O-] ZINC000827182812 603336609 /nfs/dbraw/zinc/33/66/09/603336609.db2.gz RMUAKKNCBKUKNU-ZDUSSCGKSA-N -1 0 345.443 3.981 20 0 EHADRM Cc1ccc(C(=O)NCCOc2cccc(Cl)c2)cc1NC(=O)[O-] ZINC000830220472 603339633 /nfs/dbraw/zinc/33/96/33/603339633.db2.gz UWKKRPMKBVVDIS-UHFFFAOYSA-N -1 0 348.786 3.547 20 0 EHADRM CCN(Cc1cccc(NC(=O)N2CCC[C@@H]2C(C)C)c1)C(=O)[O-] ZINC000739443074 603342914 /nfs/dbraw/zinc/34/29/14/603342914.db2.gz NPNSZBSWWNHEAZ-MRXNPFEDSA-N -1 0 333.432 3.839 20 0 EHADRM CCN(Cc1cccc(NC(=O)N2CCC(C)(C)CC2)c1)C(=O)[O-] ZINC000739442467 603344109 /nfs/dbraw/zinc/34/41/09/603344109.db2.gz MMGPWDGIKIGGOS-UHFFFAOYSA-N -1 0 333.432 3.840 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N1CCC[C@@H]1C(C)C)C(=O)[O-] ZINC000739444732 603350020 /nfs/dbraw/zinc/35/00/20/603350020.db2.gz CHYAAMAFYJIWJE-MRXNPFEDSA-N -1 0 333.432 3.839 20 0 EHADRM C[C@H](CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1)NC(=O)[O-] ZINC000824614684 603352001 /nfs/dbraw/zinc/35/20/01/603352001.db2.gz MXIKAJRAWCOUBY-PXAZEXFGSA-N -1 0 346.814 3.592 20 0 EHADRM CC(C)c1cc(NC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)no1 ZINC000824464873 603355892 /nfs/dbraw/zinc/35/58/92/603355892.db2.gz WTROZJINVAVXDE-JTQLQIEISA-N -1 0 332.360 3.771 20 0 EHADRM Cc1ccccc1C[C@H](C)NC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000830566756 603362089 /nfs/dbraw/zinc/36/20/89/603362089.db2.gz GCMXGOBZMSNMMX-AWEZNQCLSA-N -1 0 326.396 3.754 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1)c1ccncc1 ZINC000826613583 603366639 /nfs/dbraw/zinc/36/66/39/603366639.db2.gz MMVINKZJWBNPGF-BLLLJJGKSA-N -1 0 342.399 3.683 20 0 EHADRM Cc1ccc(CCNC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)cc1 ZINC000830303163 603367724 /nfs/dbraw/zinc/36/77/24/603367724.db2.gz VWDIDCOBDWVZBW-AWEZNQCLSA-N -1 0 341.411 3.688 20 0 EHADRM CC[C@@H](c1nnc(SC[C@@H]2CCN(C(=O)[O-])C2)o1)c1ccccc1 ZINC000739262828 603374099 /nfs/dbraw/zinc/37/40/99/603374099.db2.gz GHKOMKUWGIFRFN-TZMCWYRMSA-N -1 0 347.440 3.704 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)Cc2c[nH]c3ccc(F)cc23)cc1 ZINC000738663778 603387721 /nfs/dbraw/zinc/38/77/21/603387721.db2.gz BPHHVVQGPINBAS-UHFFFAOYSA-N -1 0 327.315 3.578 20 0 EHADRM C[C@H](C(=O)Nc1cccc(CN(C)C(=O)[O-])c1)c1cccc(F)c1 ZINC000738628356 603393675 /nfs/dbraw/zinc/39/36/75/603393675.db2.gz CNHCUOFLOOEGHE-LBPRGKRZSA-N -1 0 330.359 3.678 20 0 EHADRM C[C@H](C(=O)Nc1ccccc1CN(C)C(=O)[O-])c1cccc(F)c1 ZINC000738635838 603402992 /nfs/dbraw/zinc/40/29/92/603402992.db2.gz BMXZUXMEIAEDJW-LBPRGKRZSA-N -1 0 330.359 3.678 20 0 EHADRM CCCc1ncc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])s1 ZINC000739381208 603413153 /nfs/dbraw/zinc/41/31/53/603413153.db2.gz YLPFGIGZNZOUOM-UHFFFAOYSA-N -1 0 345.424 3.779 20 0 EHADRM O=C([O-])N1CCCN(C(=O)c2cnc(C3CC3)s2)c2ccccc21 ZINC000740515807 603431204 /nfs/dbraw/zinc/43/12/04/603431204.db2.gz IGKCMLSCVQAGOA-UHFFFAOYSA-N -1 0 343.408 3.555 20 0 EHADRM O=C([O-])N[C@H]1CC[C@H](C(=O)Nc2ccc3oc4ccccc4c3c2)C1 ZINC000832287998 603431286 /nfs/dbraw/zinc/43/12/86/603431286.db2.gz QGEBEIRAHDNQOH-RYUDHWBXSA-N -1 0 338.363 3.961 20 0 EHADRM Cc1csc([C@H](NC(=O)c2ccc(F)c(NC(=O)[O-])c2)C2CC2)n1 ZINC000740204130 603434293 /nfs/dbraw/zinc/43/42/93/603434293.db2.gz KPNPIGNBIZZOCJ-CYBMUJFWSA-N -1 0 349.387 3.562 20 0 EHADRM CC1=NN(c2ccc(C(=O)Oc3cccc(NC(=O)[O-])c3)cc2)CC1 ZINC000825778168 603477036 /nfs/dbraw/zinc/47/70/36/603477036.db2.gz IRFUWVYYUUDMFJ-UHFFFAOYSA-N -1 0 339.351 3.582 20 0 EHADRM COc1ccc2c(CC(=O)Oc3cccc(NC(=O)[O-])c3)coc2c1 ZINC000829516772 603478085 /nfs/dbraw/zinc/47/80/85/603478085.db2.gz UUBYUPFRLJMYLU-UHFFFAOYSA-N -1 0 341.319 3.679 20 0 EHADRM CCCOc1ccc(NC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)cc1Cl ZINC000826939431 603499589 /nfs/dbraw/zinc/49/95/89/603499589.db2.gz KPMSTZHNZIVZQV-MNOVXSKESA-N -1 0 340.807 3.504 20 0 EHADRM C[C@H](C(=O)Nc1cc(Cl)ccc1O)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823713309 603508344 /nfs/dbraw/zinc/50/83/44/603508344.db2.gz NJVGOPHAMQVUIE-ZUZCIYMTSA-N -1 0 348.786 3.629 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)CN(CC1CC1)C(=O)[O-] ZINC000829867588 603518245 /nfs/dbraw/zinc/51/82/45/603518245.db2.gz PMLAJJWUKARNAT-UHFFFAOYSA-N -1 0 348.443 3.639 20 0 EHADRM CC[C@H](NC(=O)c1cc(Cl)c(NC(=O)[O-])cc1OC)C(C)C ZINC000826612721 603532811 /nfs/dbraw/zinc/53/28/11/603532811.db2.gz AYHJSQBUYUETOX-NSHDSACASA-N -1 0 328.796 3.603 20 0 EHADRM CCc1cccc(C)c1NC(=O)N1CCC(CN(CC)C(=O)[O-])CC1 ZINC000827595009 603579141 /nfs/dbraw/zinc/57/91/41/603579141.db2.gz KIALWDCECYSLOS-UHFFFAOYSA-N -1 0 347.459 3.801 20 0 EHADRM CN(C(=O)Nc1cccc(-c2cccs2)c1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827808965 603592394 /nfs/dbraw/zinc/59/23/94/603592394.db2.gz AQOICLJCRBPDQC-CQSZACIVSA-N -1 0 345.424 3.631 20 0 EHADRM C[C@@H](Oc1ccc(NC(=O)[O-])cc1)c1nc(-c2ccccc2)no1 ZINC000736703688 603599106 /nfs/dbraw/zinc/59/91/06/603599106.db2.gz XLUFACYKAVTPLH-LLVKDONJSA-N -1 0 325.324 3.967 20 0 EHADRM Cc1cccc(Oc2ccccc2NC(=O)CC2CN(C(=O)[O-])C2)c1 ZINC000830527711 603633516 /nfs/dbraw/zinc/63/35/16/603633516.db2.gz OLBGSLLVCIMHQL-UHFFFAOYSA-N -1 0 340.379 3.726 20 0 EHADRM COc1ccc(-c2nc(-c3cccc(NC(=O)[O-])c3)no2)cc1OC ZINC000829242993 603639668 /nfs/dbraw/zinc/63/96/68/603639668.db2.gz HSHGLVALJBTZOY-UHFFFAOYSA-N -1 0 341.323 3.511 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)c2cc(F)cc(Cl)c2)c1 ZINC000829469829 603656839 /nfs/dbraw/zinc/65/68/39/603656839.db2.gz WYWSKMOZJAXYHS-UHFFFAOYSA-N -1 0 338.722 3.830 20 0 EHADRM CCN(CC1CCN(C(=O)CC(C)(C)c2ccccc2)CC1)C(=O)[O-] ZINC000827059002 603742748 /nfs/dbraw/zinc/74/27/48/603742748.db2.gz DRHIMKVQIUAJGK-UHFFFAOYSA-N -1 0 346.471 3.593 20 0 EHADRM CC(C)(c1nc(C2(NC(=O)[O-])CCCC2)no1)c1ccccc1F ZINC000824038874 603769337 /nfs/dbraw/zinc/76/93/37/603769337.db2.gz OTYOMHJFDWHPSP-UHFFFAOYSA-N -1 0 333.363 3.572 20 0 EHADRM C[C@]1(C(=O)Nc2ccccc2CCC(F)(F)F)CCN(C(=O)[O-])C1 ZINC000825684359 603803872 /nfs/dbraw/zinc/80/38/72/603803872.db2.gz FNNIMTBURKIQQS-HNNXBMFYSA-N -1 0 344.333 3.510 20 0 EHADRM C[C@@]1(C(=O)Nc2ccccc2CCC(F)(F)F)CCN(C(=O)[O-])C1 ZINC000825684361 603803999 /nfs/dbraw/zinc/80/39/99/603803999.db2.gz FNNIMTBURKIQQS-OAHLLOKOSA-N -1 0 344.333 3.510 20 0 EHADRM Cc1cc(F)c(C(=O)N2CCCN(C(=O)[O-])c3ccccc32)cc1F ZINC000830054505 603842606 /nfs/dbraw/zinc/84/26/06/603842606.db2.gz DNMFTVHBIAIWDZ-UHFFFAOYSA-N -1 0 346.333 3.808 20 0 EHADRM O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)N1CCC[C@@H]1c1ccsc1)C2 ZINC000831300005 603844225 /nfs/dbraw/zinc/84/42/25/603844225.db2.gz SFYPEYYWRSZHCN-YPAMNDHTSA-N -1 0 348.468 3.723 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CNCc2cccc3c2N(C(=O)[O-])CC3)o1 ZINC000825858951 603852005 /nfs/dbraw/zinc/85/20/05/603852005.db2.gz DGZNOGZLXNJPHI-LRDDRELGSA-N -1 0 326.396 3.733 20 0 EHADRM COc1cc(Cl)ccc1CNCc1cccc2c1N(C(=O)[O-])CC2 ZINC000829134802 603859813 /nfs/dbraw/zinc/85/98/13/603859813.db2.gz IQOYWBNJTJAAHT-UHFFFAOYSA-N -1 0 346.814 3.679 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)c1nc([C@H](C)CN(C)C(=O)[O-])no1 ZINC000826631561 603879920 /nfs/dbraw/zinc/87/99/20/603879920.db2.gz KUXULPSDBKRPDB-OCCSQVGLSA-N -1 0 333.388 3.621 20 0 EHADRM CC[C@H](Oc1ccccc1C)c1nc(C2(NC(=O)[O-])CCC2)no1 ZINC000826633823 603880302 /nfs/dbraw/zinc/88/03/02/603880302.db2.gz XVDWBUVPGPRLKG-LBPRGKRZSA-N -1 0 331.372 3.555 20 0 EHADRM CC[C@H](Oc1ccccc1C)c1nc([C@@H](C)CN(C)C(=O)[O-])no1 ZINC000826632854 603880378 /nfs/dbraw/zinc/88/03/78/603880378.db2.gz UKKSQSHGFBUAMU-STQMWFEESA-N -1 0 333.388 3.621 20 0 EHADRM Cc1ccc(C(=O)N2CCCC[C@H]2c2cccn2C)cc1NC(=O)[O-] ZINC000830193271 603926962 /nfs/dbraw/zinc/92/69/62/603926962.db2.gz UQZUWPZFDSQCLZ-KRWDZBQOSA-N -1 0 341.411 3.791 20 0 EHADRM CC(C)(CCC(=O)Nc1cccc(CCC(F)(F)F)c1)NC(=O)[O-] ZINC000823889690 603928023 /nfs/dbraw/zinc/92/80/23/603928023.db2.gz BZCMEYQLMQLGJB-UHFFFAOYSA-N -1 0 346.349 3.946 20 0 EHADRM Cc1cc(C(=O)Nc2cccc3c2CCN3C(=O)[O-])c(F)cc1F ZINC000829966092 603946478 /nfs/dbraw/zinc/94/64/78/603946478.db2.gz SNMNIPWBKFIHMD-UHFFFAOYSA-N -1 0 332.306 3.566 20 0 EHADRM Cc1[nH]c2ccccc2c1CC(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000829828132 603955127 /nfs/dbraw/zinc/95/51/27/603955127.db2.gz LTMQJJPWAGHHDG-UHFFFAOYSA-N -1 0 349.390 3.698 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)C1(c2ccc(F)cc2)CC1 ZINC000832069311 603960412 /nfs/dbraw/zinc/96/04/12/603960412.db2.gz JTOLLIQPNZXLNQ-UHFFFAOYSA-N -1 0 340.354 3.537 20 0 EHADRM COc1ccc(C)cc1NC(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000829322658 603968114 /nfs/dbraw/zinc/96/81/14/603968114.db2.gz VGGOJDDBDVSEOT-UHFFFAOYSA-N -1 0 341.367 3.688 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000827508665 603973485 /nfs/dbraw/zinc/97/34/85/603973485.db2.gz PZKOFLJBIAQEKV-MWLCHTKSSA-N -1 0 342.848 3.827 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)Nc2cccc(Nc3ccccc3)c2)C1 ZINC000832287131 603981180 /nfs/dbraw/zinc/98/11/80/603981180.db2.gz MMAUBLCQYNATET-CXAGYDPISA-N -1 0 339.395 3.805 20 0 EHADRM CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2ccc(NC(=O)[O-])cc2)C1 ZINC000827495345 603989531 /nfs/dbraw/zinc/98/95/31/603989531.db2.gz IVFDBVSCHGAMPH-UONOGXRCSA-N -1 0 337.445 3.914 20 0 EHADRM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)o1 ZINC000827584920 603995306 /nfs/dbraw/zinc/99/53/06/603995306.db2.gz WESTVDWGQRINTC-NYTXWWLZSA-N -1 0 348.443 3.578 20 0 EHADRM Cc1ccc(NC(=O)N2CCCC[C@@H]2[C@@H]2CCCN2C(=O)[O-])s1 ZINC000830380929 604027685 /nfs/dbraw/zinc/02/76/85/604027685.db2.gz CMUQACGLPVGQRO-OLZOCXBDSA-N -1 0 337.445 3.585 20 0 EHADRM Cc1ccc(C(=O)N2CCCc3c(F)cccc32)cc1NC(=O)[O-] ZINC000830191885 604029561 /nfs/dbraw/zinc/02/95/61/604029561.db2.gz FEQNDEULIXQGQJ-UHFFFAOYSA-N -1 0 328.343 3.817 20 0 EHADRM CSc1ccncc1NC(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000829777968 604036936 /nfs/dbraw/zinc/03/69/36/604036936.db2.gz PKEARKLMBICIPS-ZDUSSCGKSA-N -1 0 345.424 3.531 20 0 EHADRM CCC(CC)N(CC(C)C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000826572616 604044915 /nfs/dbraw/zinc/04/49/15/604044915.db2.gz YEJSYDRHBBMMCX-VHRNVKJDSA-N -1 0 339.480 3.516 20 0 EHADRM CCS[C@H]1CCC[C@@H](NC(=O)c2ccc(C)c(NC(=O)[O-])c2)C1 ZINC000827495735 604059563 /nfs/dbraw/zinc/05/95/63/604059563.db2.gz MCVMDOJNZJUFIC-KGLIPLIRSA-N -1 0 336.457 3.879 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)cc1Cl ZINC000830383104 604062582 /nfs/dbraw/zinc/06/25/82/604062582.db2.gz WOAXXHFNFCTHGP-NWDGAFQWSA-N -1 0 339.823 3.548 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)CC3(NC(=O)[O-])CCC3)cc2)cs1 ZINC000830686254 604069190 /nfs/dbraw/zinc/06/91/90/604069190.db2.gz MJYNXXRWBWEPSZ-UHFFFAOYSA-N -1 0 345.424 3.637 20 0 EHADRM CCN(Cc1cccc(NC(=O)N2CCC3(CCC3)C2)c1)C(=O)[O-] ZINC000827172664 604088950 /nfs/dbraw/zinc/08/89/50/604088950.db2.gz ZSBRUFGUADPVBS-UHFFFAOYSA-N -1 0 331.416 3.594 20 0 EHADRM COc1cc(NC(=O)c2scnc2C(C)(C)C)ccc1NC(=O)[O-] ZINC000829198432 604103298 /nfs/dbraw/zinc/10/32/98/604103298.db2.gz WRTSLZSBTLVPAQ-UHFFFAOYSA-N -1 0 349.412 3.791 20 0 EHADRM CC(C)c1cccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1 ZINC000824470418 604121555 /nfs/dbraw/zinc/12/15/55/604121555.db2.gz PKNUZHAYQCXZFC-CVEARBPZSA-N -1 0 331.416 3.559 20 0 EHADRM CC(C)N(C)c1cccc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000826936057 604266420 /nfs/dbraw/zinc/26/64/20/604266420.db2.gz ZTJCNJSVTQIEJA-UHFFFAOYSA-N -1 0 330.359 3.621 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000832845277 604267057 /nfs/dbraw/zinc/26/70/57/604267057.db2.gz VITJJKIOJQXKHI-LBPRGKRZSA-N -1 0 336.391 3.974 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1CC=C(c2ccc(C)cc2)CC1 ZINC000832929993 604271238 /nfs/dbraw/zinc/27/12/38/604271238.db2.gz OSGOJWMJNKXHHH-UHFFFAOYSA-N -1 0 338.407 3.568 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])c(F)c1)[C@@H]1CCCc2ccccc21 ZINC000830524320 604274070 /nfs/dbraw/zinc/27/40/70/604274070.db2.gz WVBNLOBLEPZBDH-QGZVFWFLSA-N -1 0 327.355 3.674 20 0 EHADRM CC(C)n1cc2ccc(NC(=O)c3ccc(C(=O)[O-])c(F)c3)cc2n1 ZINC000827186196 604282388 /nfs/dbraw/zinc/28/23/88/604282388.db2.gz BGCMWDDFURTKDD-UHFFFAOYSA-N -1 0 341.342 3.707 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828891605 604292690 /nfs/dbraw/zinc/29/26/90/604292690.db2.gz ZTSOOSZHXZPOHW-MRXNPFEDSA-N -1 0 343.398 3.926 20 0 EHADRM C[C@]1(NC(=O)c2ccc(C(=O)[O-])c(F)c2)CCCc2ccccc21 ZINC000828110839 604302476 /nfs/dbraw/zinc/30/24/76/604302476.db2.gz XACHWOYEVHTXPO-IBGZPJMESA-N -1 0 327.355 3.505 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC000389693890 604308099 /nfs/dbraw/zinc/30/80/99/604308099.db2.gz FRCIFSBCHSICIC-UHFFFAOYSA-N -1 0 338.816 3.765 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000320403133 604320583 /nfs/dbraw/zinc/32/05/83/604320583.db2.gz CRNCORNPDWKDGE-SNVBAGLBSA-N -1 0 333.775 3.658 20 0 EHADRM Cc1ccn(-c2ccccc2NC(=O)c2cccc(NC(=O)[O-])c2)n1 ZINC000830601491 604320829 /nfs/dbraw/zinc/32/08/29/604320829.db2.gz MIWLPZKLKCFFOS-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)Nc2cccc(NC(=O)[O-])c2)n1 ZINC000832968621 604325845 /nfs/dbraw/zinc/32/58/45/604325845.db2.gz PSPYWKMTDCGUSM-MRXNPFEDSA-N -1 0 340.383 3.849 20 0 EHADRM O=C([O-])c1ccc(CN[C@H]2COc3c2ccc(Cl)c3Cl)o1 ZINC000833315215 604331012 /nfs/dbraw/zinc/33/10/12/604331012.db2.gz XCXHWBQYMWIFNE-JTQLQIEISA-N -1 0 328.151 3.508 20 0 EHADRM COc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c(C)c1 ZINC000832335907 604339820 /nfs/dbraw/zinc/33/98/20/604339820.db2.gz DJCKPMVHAFCBDM-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM Cc1ccc(/C=C\CC(=O)Nc2nc(CCC(=O)[O-])cs2)cc1 ZINC000832928056 604348049 /nfs/dbraw/zinc/34/80/49/604348049.db2.gz IGJSXOKURRDVKV-IHWYPQMZSA-N -1 0 330.409 3.511 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)C[C@H](C)[C@H]2CCCN(C(=O)[O-])C2)o1 ZINC000830283512 604357045 /nfs/dbraw/zinc/35/70/45/604357045.db2.gz WYAPLHAYCGCROY-BPUTZDHNSA-N -1 0 348.443 3.668 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])c1ccncc1 ZINC000827225975 604376626 /nfs/dbraw/zinc/37/66/26/604376626.db2.gz GMXUQAIPRYMOOR-KSSFIOAISA-N -1 0 340.423 3.544 20 0 EHADRM Cc1cc([C@H](C)N(C)CC(=O)Nc2cccc(C)c2C)oc1C(=O)[O-] ZINC000832871488 604382063 /nfs/dbraw/zinc/38/20/63/604382063.db2.gz SCILRCXLLFGKHE-AWEZNQCLSA-N -1 0 344.411 3.535 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1cccc2cnccc21)c1ccccc1 ZINC000826105877 604384503 /nfs/dbraw/zinc/38/45/03/604384503.db2.gz LXWMJUNLMCRBOX-GOSISDBHSA-N -1 0 348.402 3.817 20 0 EHADRM Cc1cc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])ccc1F ZINC000832863588 604386015 /nfs/dbraw/zinc/38/60/15/604386015.db2.gz RWPNFCSKYOZEAT-INIZCTEOSA-N -1 0 329.371 3.716 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1ccc(F)c(Cl)c1)c1ccccc1 ZINC000828594492 604389548 /nfs/dbraw/zinc/38/95/48/604389548.db2.gz DGBMVUQYZNGDLW-OAHLLOKOSA-N -1 0 335.762 3.989 20 0 EHADRM Cc1ccccc1CCC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000832981015 604390442 /nfs/dbraw/zinc/39/04/42/604390442.db2.gz UVBWRJOGTTUZIV-IBGZPJMESA-N -1 0 339.435 3.896 20 0 EHADRM Cc1ccc(F)cc1C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000832934227 604392263 /nfs/dbraw/zinc/39/22/63/604392263.db2.gz KSTPBNWOPYIZNV-MRXNPFEDSA-N -1 0 329.371 3.716 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N[C@H]1CC2CCC1CC2)C(=O)[O-] ZINC000827916498 604394071 /nfs/dbraw/zinc/39/40/71/604394071.db2.gz UBBGBTZTWKNSHF-LPXQKFACSA-N -1 0 333.453 3.560 20 0 EHADRM CCC(CC)n1ccc(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)n1 ZINC000828869917 604404070 /nfs/dbraw/zinc/40/40/70/604404070.db2.gz HHLFORORCKJTPP-UHFFFAOYSA-N -1 0 326.356 3.659 20 0 EHADRM Cc1ccc(OCCCC(=O)Oc2ccccc2CC(=O)[O-])c(C)c1 ZINC000832952676 604411802 /nfs/dbraw/zinc/41/18/02/604411802.db2.gz YNUSMVWXLBCODV-UHFFFAOYSA-N -1 0 342.391 3.695 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)O[C@@H]1CCc2sc(Cl)cc21 ZINC000826808067 604414745 /nfs/dbraw/zinc/41/47/45/604414745.db2.gz RMEDLBPSCLVSQS-NXEZZACHSA-N -1 0 331.821 3.614 20 0 EHADRM CCC(CC)n1ccc(C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)n1 ZINC000828870595 604434480 /nfs/dbraw/zinc/43/44/80/604434480.db2.gz RVZPXXVTEYXLCT-LLVKDONJSA-N -1 0 334.372 3.762 20 0 EHADRM Cc1cc(C(=O)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)c(C)s1 ZINC000829956385 604443544 /nfs/dbraw/zinc/44/35/44/604443544.db2.gz FSFHAPBYMPRJDS-LLVKDONJSA-N -1 0 332.425 3.624 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)c2cc3occc3s2)cc1 ZINC000825397137 604453996 /nfs/dbraw/zinc/45/39/96/604453996.db2.gz GLQRYVZSEMTDHM-SNVBAGLBSA-N -1 0 344.392 3.753 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])o1 ZINC000832921600 604457221 /nfs/dbraw/zinc/45/72/21/604457221.db2.gz SVFZKBBQTRNXCW-CZUORRHYSA-N -1 0 344.411 3.800 20 0 EHADRM C[C@H](C[C@@H](O)c1ccc(F)cc1)Nc1nc(Cl)c(C(=O)[O-])s1 ZINC000827396421 604459547 /nfs/dbraw/zinc/45/95/47/604459547.db2.gz DUDOFXUIXKFTDX-GMSGAONNSA-N -1 0 344.795 3.558 20 0 EHADRM O=C([O-])c1csc(NC(=O)N(CCc2ccccc2)C2CC2)c1 ZINC000833341114 604486822 /nfs/dbraw/zinc/48/68/22/604486822.db2.gz REUGYDDMOKVARY-UHFFFAOYSA-N -1 0 330.409 3.685 20 0 EHADRM CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000829722314 604492479 /nfs/dbraw/zinc/49/24/79/604492479.db2.gz KGHVCLKYVRMTKY-UHFFFAOYSA-N -1 0 334.397 3.509 20 0 EHADRM CC(C)Oc1cccc(CC(=O)OC2CCC(CC(=O)[O-])CC2)c1 ZINC000833506610 604498161 /nfs/dbraw/zinc/49/81/61/604498161.db2.gz HSZKWWCKJOBRET-UHFFFAOYSA-N -1 0 334.412 3.593 20 0 EHADRM C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000827928015 604503947 /nfs/dbraw/zinc/50/39/47/604503947.db2.gz DFPZPJGRQXWHBJ-MRVPVSSYSA-N -1 0 340.351 3.949 20 0 EHADRM CO[C@@H](CNC(=O)c1cccc(NC(=O)[O-])c1)c1ccccc1Cl ZINC000828849943 604514421 /nfs/dbraw/zinc/51/44/21/604514421.db2.gz YPUODYHUXLXUSU-HNNXBMFYSA-N -1 0 348.786 3.547 20 0 EHADRM O=C([O-])c1csc(NC(=O)N2CC[C@H](c3ccccc3F)C2)c1 ZINC000833342710 604519816 /nfs/dbraw/zinc/51/98/16/604519816.db2.gz OVVZFLFXRJPNHK-JTQLQIEISA-N -1 0 334.372 3.607 20 0 EHADRM Cc1cccc(NC(=O)NCc2ccc([C@H](C)NC(=O)[O-])cc2)c1C ZINC000830521340 604525487 /nfs/dbraw/zinc/52/54/87/604525487.db2.gz FVFFTLAAVVNERW-AWEZNQCLSA-N -1 0 341.411 3.954 20 0 EHADRM Cc1ccccc1NC(=O)NCc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000830587614 604525821 /nfs/dbraw/zinc/52/58/21/604525821.db2.gz ZZGOUFYGLVKUAL-CYBMUJFWSA-N -1 0 327.384 3.645 20 0 EHADRM CN(CC1CCCC1)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000830714318 604530091 /nfs/dbraw/zinc/53/00/91/604530091.db2.gz PKKVFOUVLJDIHP-INIZCTEOSA-N -1 0 332.444 3.670 20 0 EHADRM Cc1cc([C@H](C)OC(=O)COc2cccc(Cl)c2)oc1C(=O)[O-] ZINC000832872048 604542044 /nfs/dbraw/zinc/54/20/44/604542044.db2.gz LQYJMVBELWSFKR-JTQLQIEISA-N -1 0 338.743 3.623 20 0 EHADRM CCc1ccccc1OCC(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000830282398 604547036 /nfs/dbraw/zinc/54/70/36/604547036.db2.gz STIHOFRHULVRLL-LBPRGKRZSA-N -1 0 332.352 3.532 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)Cc2csc3ccccc23)c1 ZINC000537474599 604547520 /nfs/dbraw/zinc/54/75/20/604547520.db2.gz QMWWYULFWMRSQB-UHFFFAOYSA-N -1 0 339.416 3.501 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)[C@H](C)Oc2cccc(C)c2)oc1C(=O)[O-] ZINC000832973304 604555238 /nfs/dbraw/zinc/55/52/38/604555238.db2.gz VBORUSVHAFXMSO-OLZOCXBDSA-N -1 0 332.352 3.666 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)c1sccc1-c1ccc(F)cc1 ZINC000833210654 604568999 /nfs/dbraw/zinc/56/89/99/604568999.db2.gz NTKUBSSGZJIGJO-ZDUSSCGKSA-N -1 0 333.384 3.634 20 0 EHADRM CC(C)Oc1cccc(CN(C)C(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000833507524 604576388 /nfs/dbraw/zinc/57/63/88/604576388.db2.gz SENLDRHXKWANAD-UHFFFAOYSA-N -1 0 345.370 3.583 20 0 EHADRM CC(C)(C(=O)NCCc1cccc(C(=O)[O-])c1)c1ccccc1Cl ZINC000262084993 604584540 /nfs/dbraw/zinc/58/45/40/604584540.db2.gz BOGTZIJFMCWRPI-UHFFFAOYSA-N -1 0 345.826 3.675 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)CNc2ccccc2Cl)oc1C(=O)[O-] ZINC000832872055 604585605 /nfs/dbraw/zinc/58/56/05/604585605.db2.gz LSUWCFFIODVDRY-SNVBAGLBSA-N -1 0 337.759 3.656 20 0 EHADRM Cc1ccc(-c2ncc(C(=O)N3CCC[C@@H]3CC(=O)[O-])s2)c(C)c1 ZINC000653646640 604589959 /nfs/dbraw/zinc/58/99/59/604589959.db2.gz MMLXJEYZNBWFNU-CYBMUJFWSA-N -1 0 344.436 3.506 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2cccc(F)c2Cl)oc1C(=O)[O-] ZINC000832874798 604594155 /nfs/dbraw/zinc/59/41/55/604594155.db2.gz LIVHDDYHQCXLFC-MRVPVSSYSA-N -1 0 326.707 3.997 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)/C=C\SCc2ccco2)oc1C(=O)[O-] ZINC000832878796 604600923 /nfs/dbraw/zinc/60/09/23/604600923.db2.gz YTVFRMBDHMYJIG-JPVGGKMYSA-N -1 0 336.365 3.931 20 0 EHADRM COCC(C)(C)C(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C1CC1 ZINC000833721214 604608778 /nfs/dbraw/zinc/60/87/78/604608778.db2.gz QXZBBJCOHUWQEU-UHFFFAOYSA-N -1 0 345.395 3.561 20 0 EHADRM CC(C)Sc1ccccc1C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000262252375 604614337 /nfs/dbraw/zinc/61/43/37/604614337.db2.gz VQWHSNBTNSKNTN-UHFFFAOYSA-N -1 0 343.448 3.858 20 0 EHADRM O=C([O-])c1cnc(/C=C/c2ccc(F)cc2Br)s1 ZINC000486549766 604626338 /nfs/dbraw/zinc/62/63/38/604626338.db2.gz UNBIVCMSAIJATP-DUXPYHPUSA-N -1 0 328.162 3.913 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NCc2cccc3nsnc32)cc1 ZINC000825449806 604661259 /nfs/dbraw/zinc/66/12/59/604661259.db2.gz ZVBUVQYSYWPHCD-SNVBAGLBSA-N -1 0 328.397 3.632 20 0 EHADRM CCc1nc2sccc2c(NC[C@H](C(=O)[O-])c2ccccc2)n1 ZINC000833674608 604675339 /nfs/dbraw/zinc/67/53/39/604675339.db2.gz FNXGZKOPLZKKJU-ZDUSSCGKSA-N -1 0 327.409 3.534 20 0 EHADRM C[C@H](CC(=O)N(C)[C@@H]1CCc2ccccc21)C1CCN(C(=O)[O-])CC1 ZINC000824553442 604677206 /nfs/dbraw/zinc/67/72/06/604677206.db2.gz ZFXCGFJQWZNVGH-RDTXWAMCSA-N -1 0 344.455 3.549 20 0 EHADRM CCCCC[C@H](NC(=O)N1CCC[C@H]1CC(=O)[O-])c1ccccc1 ZINC000829327173 604685002 /nfs/dbraw/zinc/68/50/02/604685002.db2.gz WNXNECKCLQKMNZ-IRXDYDNUSA-N -1 0 332.444 3.957 20 0 EHADRM Cc1cc([C@H](C)Sc2nc3nc(C)c(C)c(C)n3n2)oc1C(=O)[O-] ZINC000832876122 604712236 /nfs/dbraw/zinc/71/22/36/604712236.db2.gz WAQLYVXMXBYUAO-NSHDSACASA-N -1 0 346.412 3.502 20 0 EHADRM CC1(C)CN(C(=O)CCc2ccccc2C(=O)[O-])[C@@H]1c1ccccc1 ZINC000833560364 604719749 /nfs/dbraw/zinc/71/97/49/604719749.db2.gz QRUSXXVIMITRFB-LJQANCHMSA-N -1 0 337.419 3.927 20 0 EHADRM CN(C(=O)c1ccc(-c2ccc(F)cc2)o1)C1(C(=O)[O-])CCCC1 ZINC000830523220 604723469 /nfs/dbraw/zinc/72/34/69/604723469.db2.gz HIXTXJCVXMVPQF-UHFFFAOYSA-N -1 0 331.343 3.555 20 0 EHADRM C[C@H](OC(=O)Cc1cccc(C(=O)[O-])c1)c1ncc(C(C)(C)C)o1 ZINC000833533521 604731727 /nfs/dbraw/zinc/73/17/27/604731727.db2.gz XUKPCJBBOQXZTI-NSHDSACASA-N -1 0 331.368 3.517 20 0 EHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000761581085 604736382 /nfs/dbraw/zinc/73/63/82/604736382.db2.gz VWNXNQHLWKTPIQ-PCUGXKRQSA-N -1 0 329.783 3.685 20 0 EHADRM CC[C@H](C)c1ccc(C(=O)Nc2nc(CCC(=O)[O-])cs2)cc1 ZINC000828764864 604738374 /nfs/dbraw/zinc/73/83/74/604738374.db2.gz OVUFRAYIZDRPFR-NSHDSACASA-N -1 0 332.425 3.926 20 0 EHADRM CC(C)(NC(=O)CCc1ccccc1C(=O)[O-])c1ccc(F)cc1 ZINC000777364058 604739314 /nfs/dbraw/zinc/73/93/14/604739314.db2.gz ZSZNBJUWDXFXLJ-UHFFFAOYSA-N -1 0 329.371 3.508 20 0 EHADRM COc1cc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])ccc1Cl ZINC000190859288 604768402 /nfs/dbraw/zinc/76/84/02/604768402.db2.gz ZIQPQYOVRAFDQY-MEDUHNTESA-N -1 0 347.798 3.540 20 0 EHADRM COc1cc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])ccc1Cl ZINC000190859305 604768439 /nfs/dbraw/zinc/76/84/39/604768439.db2.gz ZIQPQYOVRAFDQY-BDJLRTHQSA-N -1 0 347.798 3.540 20 0 EHADRM CC(C)(C)OC(=O)C1(NCc2ccc(C(=O)[O-])s2)CCCCC1 ZINC000833430495 604769359 /nfs/dbraw/zinc/76/93/59/604769359.db2.gz FJFCAZKHAZRILA-UHFFFAOYSA-N -1 0 339.457 3.581 20 0 EHADRM CC(C)C[C@H](NC(=O)Cc1ccccc1C(=O)[O-])c1ccccc1 ZINC000261734193 604780847 /nfs/dbraw/zinc/78/08/47/604780847.db2.gz SBSBBMCOIWUNSG-SFHVURJKSA-N -1 0 325.408 3.831 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000833414969 604790174 /nfs/dbraw/zinc/79/01/74/604790174.db2.gz UAMYLXSFFXBHKO-CQSZACIVSA-N -1 0 339.382 3.780 20 0 EHADRM CC1(C)CN(C(=O)Cc2ccccc2C(=O)[O-])c2ccccc2S1 ZINC000833560419 604790821 /nfs/dbraw/zinc/79/08/21/604790821.db2.gz SNKQURJXAXWPON-UHFFFAOYSA-N -1 0 341.432 3.845 20 0 EHADRM CCC(=O)c1cccc(N[C@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)c1 ZINC000828580748 604792857 /nfs/dbraw/zinc/79/28/57/604792857.db2.gz SUPYQFALCHRMND-GFCCVEGCSA-N -1 0 342.395 3.606 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)C2(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000833775978 604795443 /nfs/dbraw/zinc/79/54/43/604795443.db2.gz NLRJWCIOBRJDOE-UHFFFAOYSA-N -1 0 343.810 3.929 20 0 EHADRM O=C([O-])c1ccc(-c2noc([C@@H]3CCCc4sccc43)n2)cc1 ZINC000322596068 604796678 /nfs/dbraw/zinc/79/66/78/604796678.db2.gz KZQAIMWYBOTANB-CYBMUJFWSA-N -1 0 326.377 3.965 20 0 EHADRM CC(C)(C)O[C@H](C(=O)Nc1cccc(C(=O)[O-])c1O)c1ccccc1 ZINC000833445859 604798695 /nfs/dbraw/zinc/79/86/95/604798695.db2.gz JPTCEYHVNHDPDW-INIZCTEOSA-N -1 0 343.379 3.585 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)cc1F ZINC000833769686 604807522 /nfs/dbraw/zinc/80/75/22/604807522.db2.gz GTPNRUWKHJGNDV-UHFFFAOYSA-N -1 0 349.268 3.590 20 0 EHADRM C[C@@H](CSCc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000827581198 604809777 /nfs/dbraw/zinc/80/97/77/604809777.db2.gz JQYFNYHESFOXMK-AWEZNQCLSA-N -1 0 343.448 3.571 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)C1(C)C ZINC000679098140 604811006 /nfs/dbraw/zinc/81/10/06/604811006.db2.gz QNWZUOVRFLOFMA-IAGOWNOFSA-N -1 0 327.424 3.508 20 0 EHADRM CC(C)OCc1cccc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000827033558 604813952 /nfs/dbraw/zinc/81/39/52/604813952.db2.gz MOFIEHJJBRDOMJ-UHFFFAOYSA-N -1 0 331.343 3.701 20 0 EHADRM CC1(C)CCCC[C@@H]1CC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833560116 604814112 /nfs/dbraw/zinc/81/41/12/604814112.db2.gz AIKWGMXNJGGYIG-QGZVFWFLSA-N -1 0 329.440 3.876 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)Cc2ccc(F)cc2Cl)ccc1F ZINC000833282443 604820720 /nfs/dbraw/zinc/82/07/20/604820720.db2.gz HGSFLWAXQHTMBS-UHFFFAOYSA-N -1 0 340.713 3.889 20 0 EHADRM C[C@@H](CSCc1ccccc1)C(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC000827581566 604822422 /nfs/dbraw/zinc/82/24/22/604822422.db2.gz NWLIURXDSIPOFA-SWLSCSKDSA-N -1 0 349.477 3.560 20 0 EHADRM Cc1ccccc1Sc1ccc(C(=O)NCCCC(=O)[O-])cc1 ZINC000832981956 604825814 /nfs/dbraw/zinc/82/58/14/604825814.db2.gz QZJUQGYXFZUTEW-UHFFFAOYSA-N -1 0 329.421 3.741 20 0 EHADRM CC1(C)C[C@@H](NC(=O)c2ccc(C(=O)[O-])c(F)c2)c2ccccc2O1 ZINC000828055698 604830380 /nfs/dbraw/zinc/83/03/80/604830380.db2.gz ICEHUMIXKAJVGQ-OAHLLOKOSA-N -1 0 343.354 3.556 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc3ccccc32)cc1 ZINC000013187649 604842513 /nfs/dbraw/zinc/84/25/13/604842513.db2.gz DHEAOKZPUKNFGP-LJQANCHMSA-N -1 0 349.386 3.794 20 0 EHADRM CC(C)(C)C1=CCN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)CC1 ZINC000833426278 604848558 /nfs/dbraw/zinc/84/85/58/604848558.db2.gz JBWOWGDGLAEMNA-UHFFFAOYSA-N -1 0 346.427 3.750 20 0 EHADRM O=C([O-])c1ccc(C(=O)OCc2ncc(-c3cccs3)o2)cc1F ZINC000833353233 604855266 /nfs/dbraw/zinc/85/52/66/604855266.db2.gz JKUFNYAMDCKNFZ-UHFFFAOYSA-N -1 0 347.323 3.597 20 0 EHADRM C[C@@H](CC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21)c1ccccc1F ZINC000669435689 604856572 /nfs/dbraw/zinc/85/65/72/604856572.db2.gz ORGBOAULCSASPJ-BBRMVZONSA-N -1 0 341.382 3.924 20 0 EHADRM C[C@H](CC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21)c1ccc(F)cc1 ZINC000669435748 604858606 /nfs/dbraw/zinc/85/86/06/604858606.db2.gz QHPLKBDZKAGEQB-DYVFJYSZSA-N -1 0 341.382 3.924 20 0 EHADRM C[C@@H](CC(=O)N1CCC(CC(=O)[O-])CC1)Cc1ccc(Cl)cc1 ZINC000263238521 604860270 /nfs/dbraw/zinc/86/02/70/604860270.db2.gz FJXKSEIKEJXXLM-CYBMUJFWSA-N -1 0 337.847 3.622 20 0 EHADRM O=C([O-])c1ccc(C(=O)OCc2ccc(F)cc2Cl)cc1F ZINC000833352683 604864703 /nfs/dbraw/zinc/86/47/03/604864703.db2.gz HFTRVSQFCCTBDL-UHFFFAOYSA-N -1 0 326.682 3.673 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)C1 ZINC000345807100 604870321 /nfs/dbraw/zinc/87/03/21/604870321.db2.gz PQPXRSARZAAWTJ-PUYPPJJSSA-N -1 0 327.783 3.547 20 0 EHADRM Cc1ccc(Cl)c(NC(=O)[C@@H](CNC(=O)[O-])c2ccccc2)c1 ZINC000830323480 604870336 /nfs/dbraw/zinc/87/03/36/604870336.db2.gz HAZAERVPXNVSDA-ZDUSSCGKSA-N -1 0 332.787 3.638 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCSc1ccc(F)cc1)c1ccccc1 ZINC000013224857 604880192 /nfs/dbraw/zinc/88/01/92/604880192.db2.gz GRVFZJBUYWXZAG-INIZCTEOSA-N -1 0 347.411 3.640 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)C2(c3cccc(Cl)c3)CC2)C1 ZINC000679105310 604880942 /nfs/dbraw/zinc/88/09/42/604880942.db2.gz KDXCGHZVVGNCTE-AWEZNQCLSA-N -1 0 349.858 3.721 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cccc(C(F)F)c2)C1 ZINC000649364941 604886503 /nfs/dbraw/zinc/88/65/03/604886503.db2.gz YCTHLOXFPPTYPU-ZDUSSCGKSA-N -1 0 325.355 3.587 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)[C@H]1CCCc2sccc21 ZINC000431798645 604888480 /nfs/dbraw/zinc/88/84/80/604888480.db2.gz IEIACIIUGDAFRC-SOUVJXGZSA-N -1 0 335.469 3.708 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000318035889 604889566 /nfs/dbraw/zinc/88/95/66/604889566.db2.gz FYFVRSQETWFDBR-LLVKDONJSA-N -1 0 344.238 3.956 20 0 EHADRM C[C@@]1(NC(=O)c2ccc(Cl)cc2Cl)CCCC[C@@H]1C(=O)[O-] ZINC000262727672 604892075 /nfs/dbraw/zinc/89/20/75/604892075.db2.gz GVVYWKUFNAIJCH-IAQYHMDHSA-N -1 0 330.211 3.757 20 0 EHADRM CC(C)[C@H](C(=O)Nc1cncc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC000826677045 604897319 /nfs/dbraw/zinc/89/73/19/604897319.db2.gz OKCBCDGRHLASQW-HNNXBMFYSA-N -1 0 332.787 3.812 20 0 EHADRM O=C([O-])c1cncc(NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000833337895 604898102 /nfs/dbraw/zinc/89/81/02/604898102.db2.gz QOBXBNQRVJITAW-UHFFFAOYSA-N -1 0 332.359 3.550 20 0 EHADRM CCCC[C@@H](CC)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000236787693 604898658 /nfs/dbraw/zinc/89/86/58/604898658.db2.gz DYFABFCAAQYGIT-LLVKDONJSA-N -1 0 327.808 3.958 20 0 EHADRM O=C([O-])c1cncc(NC(=O)c2ccc(C3SCCS3)cc2)c1 ZINC000833341381 604906630 /nfs/dbraw/zinc/90/66/30/604906630.db2.gz QPTBEMZUTORQKE-UHFFFAOYSA-N -1 0 346.433 3.511 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)C[C@@H](C)C2CCN(C(=O)[O-])CC2)o1 ZINC000830282286 604922411 /nfs/dbraw/zinc/92/24/11/604922411.db2.gz OPXUBCXKSNHJIA-CJNGLKHVSA-N -1 0 348.443 3.668 20 0 EHADRM Cc1ccccc1CN(C(=O)c1ccc(C(=O)[O-])c(F)c1)C1CC1 ZINC000832978963 604929805 /nfs/dbraw/zinc/92/98/05/604929805.db2.gz GZUYJKITOMVJKB-UHFFFAOYSA-N -1 0 327.355 3.637 20 0 EHADRM COc1cc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)ccc1C ZINC000237227531 604930481 /nfs/dbraw/zinc/93/04/81/604930481.db2.gz GIIGKYLTCRAXMF-UHFFFAOYSA-N -1 0 341.407 3.511 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)CSc1ccccc1 ZINC000237935745 604932759 /nfs/dbraw/zinc/93/27/59/604932759.db2.gz SLYGLUDGPGGEHE-UHFFFAOYSA-N -1 0 343.448 3.672 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)OC[C@H](C)C(F)(F)F)C(=O)[O-] ZINC000833545084 604937751 /nfs/dbraw/zinc/93/77/51/604937751.db2.gz NMDGLFHNGXEAQZ-IUCAKERBSA-N -1 0 336.331 3.607 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)N2CCc3ccc(F)c(F)c3C2)c1 ZINC000833290099 604949897 /nfs/dbraw/zinc/94/98/97/604949897.db2.gz XFUWNGDDZSVNRE-UHFFFAOYSA-N -1 0 347.321 3.645 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)N[C@@H]2CCCC(F)(F)C2)cc1 ZINC000830514278 604951318 /nfs/dbraw/zinc/95/13/18/604951318.db2.gz QCQPWNFOTYHKPY-LLVKDONJSA-N -1 0 327.331 3.500 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N[C@H]2CCCC(F)(F)C2)cc1 ZINC000826118697 604958698 /nfs/dbraw/zinc/95/86/98/604958698.db2.gz SELCCPGFMSJARR-ZDUSSCGKSA-N -1 0 340.370 3.748 20 0 EHADRM C[C@@]1(NC(=O)c2cccc(-c3cscn3)c2)CCCC[C@@H]1C(=O)[O-] ZINC000833573507 604959003 /nfs/dbraw/zinc/95/90/03/604959003.db2.gz SEUNZKHTBMOIOU-RDTXWAMCSA-N -1 0 344.436 3.573 20 0 EHADRM CC(C)Cc1ccc([C@@H](C)C(=O)N(C)c2ncc(C(=O)[O-])s2)cc1 ZINC000833491393 604975044 /nfs/dbraw/zinc/97/50/44/604975044.db2.gz UOUHYIQBXSRBGD-GFCCVEGCSA-N -1 0 346.452 3.806 20 0 EHADRM CC(C)CC[C@H]1CCCN1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000826844693 604977492 /nfs/dbraw/zinc/97/74/92/604977492.db2.gz GNIHDWKITVWDLS-CYBMUJFWSA-N -1 0 339.461 3.593 20 0 EHADRM Cc1sc(NC(=O)c2cnn(CCC(C)C)c2C)c(C(=O)[O-])c1C ZINC000833757948 604990151 /nfs/dbraw/zinc/99/01/51/604990151.db2.gz FLDJHXFYYPTPKH-UHFFFAOYSA-N -1 0 349.456 3.866 20 0 EHADRM CCCCC[C@@H]1CCCN1C(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC000829349531 604997691 /nfs/dbraw/zinc/99/76/91/604997691.db2.gz YGTDHZIDURNXMR-OAHLLOKOSA-N -1 0 348.443 3.648 20 0 EHADRM CCc1nc(NC(=O)[C@H](C)c2ccc(Cl)s2)sc1C(=O)[O-] ZINC000833674316 604999231 /nfs/dbraw/zinc/99/92/31/604999231.db2.gz OSNPDYHBOZWQFD-ZCFIWIBFSA-N -1 0 344.845 3.861 20 0 EHADRM CC(C)(C)OCc1ccccc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000833445924 605005279 /nfs/dbraw/zinc/00/52/79/605005279.db2.gz UCHDWJJZTMKKAB-UHFFFAOYSA-N -1 0 327.380 3.952 20 0 EHADRM CC(C)(C)c1ccc2cc(C(=O)N3CCCC[C@@H]3CC(=O)[O-])[nH]c2c1 ZINC000679399603 605008031 /nfs/dbraw/zinc/00/80/31/605008031.db2.gz DMIKRTGLRSMBLW-OAHLLOKOSA-N -1 0 342.439 3.935 20 0 EHADRM C[C@H](OC(=O)c1c(Cl)cc(C(F)(F)F)cc1Cl)C(=O)[O-] ZINC000737705704 605011544 /nfs/dbraw/zinc/01/15/44/605011544.db2.gz LCSVSWHRXYYWSJ-BYPYZUCNSA-N -1 0 331.073 3.642 20 0 EHADRM CCC[C@H](NC(=O)c1ccc(C)nc1Sc1ccccc1)C(=O)[O-] ZINC000833649451 605022938 /nfs/dbraw/zinc/02/29/38/605022938.db2.gz RUBXUCOPTRIJFA-HNNXBMFYSA-N -1 0 344.436 3.524 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)OCC(=O)c1ccc(Cl)cc1Cl ZINC000833456700 605034628 /nfs/dbraw/zinc/03/46/28/605034628.db2.gz WEIWALDPFFOHFX-UHFFFAOYSA-N -1 0 347.194 3.610 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000578778400 605051884 /nfs/dbraw/zinc/05/18/84/605051884.db2.gz SUVGPLZFFAONFS-GOSISDBHSA-N -1 0 347.386 3.561 20 0 EHADRM O=C([O-])c1cccc(COC(=O)c2cc(F)c(Cl)cc2F)c1 ZINC000833783662 605055615 /nfs/dbraw/zinc/05/56/15/605055615.db2.gz ZPAWYANVYMKKEV-UHFFFAOYSA-N -1 0 326.682 3.673 20 0 EHADRM CC(C)(C)CN(CC(C)(C)C)S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000833429233 605059721 /nfs/dbraw/zinc/05/97/21/605059721.db2.gz GVAHGWIDIUOJBG-UHFFFAOYSA-N -1 0 347.502 3.529 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000263296948 605063101 /nfs/dbraw/zinc/06/31/01/605063101.db2.gz YDHHREOZJQDDOA-WHLIDYPQSA-N -1 0 341.451 3.927 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000190611191 605065261 /nfs/dbraw/zinc/06/52/61/605065261.db2.gz MHINTSCUWDXJCJ-CYBMUJFWSA-N -1 0 346.452 3.851 20 0 EHADRM CC(C)[C@H]1C[C@H](CC(=O)Nc2ccc(Cl)cc2C(=O)[O-])CCO1 ZINC000833472988 605073374 /nfs/dbraw/zinc/07/33/74/605073374.db2.gz YCOVYTKVJQNBNV-IAQYHMDHSA-N -1 0 339.819 3.818 20 0 EHADRM CC(C)[C@@H]1C[C@H](CC(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)CCO1 ZINC000833469559 605074799 /nfs/dbraw/zinc/07/47/99/605074799.db2.gz BJJQPIPAGANDSO-NJAFHUGGSA-N -1 0 347.455 3.550 20 0 EHADRM C[C@@H]1CC[C@@]2(CCN(C(=O)Nc3ccc(OCCC(=O)[O-])cc3)C2)C1 ZINC000833609172 605096390 /nfs/dbraw/zinc/09/63/90/605096390.db2.gz GANTWSAPMAVWGP-AUUYWEPGSA-N -1 0 346.427 3.584 20 0 EHADRM C[C@H](c1cc2ccccc2o1)N(C)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000194388837 605100225 /nfs/dbraw/zinc/10/02/25/605100225.db2.gz YQTXTDKHMGRLHQ-IYXRBSQSSA-N -1 0 329.396 3.843 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)N2CCC(CCC(=O)[O-])CC2)c2ccccc21 ZINC000659400160 605125867 /nfs/dbraw/zinc/12/58/67/605125867.db2.gz OZKOWMIRLSZPGF-KDOFPFPSSA-N -1 0 344.455 3.911 20 0 EHADRM CC(C)CCN(C)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000132517730 605126074 /nfs/dbraw/zinc/12/60/74/605126074.db2.gz XWHOJEXYKBSEAA-UHFFFAOYSA-N -1 0 343.221 3.657 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c2ccccc21 ZINC000833605527 605127650 /nfs/dbraw/zinc/12/76/50/605127650.db2.gz ZXQKDWDXVOHSQP-XYPHTWIQSA-N -1 0 342.439 3.521 20 0 EHADRM CCC(CC)n1nc(C(=O)Nc2cccc(C(=O)[O-])c2C)cc1C ZINC000683304311 605131942 /nfs/dbraw/zinc/13/19/42/605131942.db2.gz SDOUSTWUYYKWGE-UHFFFAOYSA-N -1 0 329.400 3.812 20 0 EHADRM CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2ccc(F)cc2C(=O)[O-])C1 ZINC000833668260 605134399 /nfs/dbraw/zinc/13/43/99/605134399.db2.gz QCFSUBAICFXQDL-VXGBXAGGSA-N -1 0 340.420 3.662 20 0 EHADRM CCC(CC)n1nc(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1C ZINC000190979299 605146623 /nfs/dbraw/zinc/14/66/23/605146623.db2.gz VUDMSCLCEQAZAO-UHFFFAOYSA-N -1 0 329.400 3.812 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2ccc(Cl)c3cccnc23)CC1 ZINC000322778323 605146976 /nfs/dbraw/zinc/14/69/76/605146976.db2.gz LWSOAXPODYPEBL-UHFFFAOYSA-N -1 0 332.787 3.718 20 0 EHADRM CC(C)(C)CN(CC(C)(C)C)C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000833429804 605154218 /nfs/dbraw/zinc/15/42/18/605154218.db2.gz XXMVJJMYPRAHOY-UHFFFAOYSA-N -1 0 335.444 3.684 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)O[C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)C1 ZINC000833604037 605155532 /nfs/dbraw/zinc/15/55/32/605155532.db2.gz CKCUEBLFQNYCNC-WQAKAFBOSA-N -1 0 330.302 3.968 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)Nc2cc(C(=O)[O-])ccc2F)c1C(C)C ZINC000431813454 605156432 /nfs/dbraw/zinc/15/64/32/605156432.db2.gz WKTYMKHXVVOCDL-UHFFFAOYSA-N -1 0 346.358 3.739 20 0 EHADRM Cc1c(C(=O)[O-])csc1NC(=O)c1csc(-c2ccccn2)n1 ZINC000833741271 605158420 /nfs/dbraw/zinc/15/84/20/605158420.db2.gz FJSJNSIETNXAQI-UHFFFAOYSA-N -1 0 345.405 3.526 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)OCc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC000833606729 605164098 /nfs/dbraw/zinc/16/40/98/605164098.db2.gz UUOXXSVZTBYJAC-SMDDNHRTSA-N -1 0 345.420 3.988 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)N2CCC(F)(F)C2)s1 ZINC000833450280 605166845 /nfs/dbraw/zinc/16/68/45/605166845.db2.gz NBMIXZKNDYONJU-UHFFFAOYSA-N -1 0 332.372 3.617 20 0 EHADRM CCC(CC)n1nc(C(=O)Oc2ccc(NC(=O)[O-])cc2)cc1C ZINC000833641761 605189135 /nfs/dbraw/zinc/18/91/35/605189135.db2.gz OLMRLVYETODITL-UHFFFAOYSA-N -1 0 331.372 3.862 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)OCc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000833612962 605189711 /nfs/dbraw/zinc/18/97/11/605189711.db2.gz VINCXTPEWZRZFJ-DOMZBBRYSA-N -1 0 343.379 3.909 20 0 EHADRM CC1(C)CC[C@H](C(=O)OCc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000833556760 605196199 /nfs/dbraw/zinc/19/61/99/605196199.db2.gz GJHBXHTYYXDTBA-AWEZNQCLSA-N -1 0 343.379 3.909 20 0 EHADRM C[C@@H](c1ccco1)N(C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833550132 605206967 /nfs/dbraw/zinc/20/69/67/605206967.db2.gz SNBGDSIKJBKSGI-LBPRGKRZSA-N -1 0 326.352 3.826 20 0 EHADRM CC[C@H](C)Oc1cc(C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)ccn1 ZINC000833641333 605208075 /nfs/dbraw/zinc/20/80/75/605208075.db2.gz VKWMQTSMFHZSTP-LBPRGKRZSA-N -1 0 343.383 3.625 20 0 EHADRM O=C([O-])N(CC(=O)N1CCC[C@H]1c1cccs1)c1ccccc1 ZINC000831819863 605248886 /nfs/dbraw/zinc/24/88/86/605248886.db2.gz AUTKGXFWLQBIJS-AWEZNQCLSA-N -1 0 330.409 3.596 20 0 EHADRM Cc1coc(-c2cc(NC[C@H]3CCCN(C(=O)[O-])C3)ccc2C)n1 ZINC000830650611 605261396 /nfs/dbraw/zinc/26/13/96/605261396.db2.gz NQHMUUGPEVBWQZ-CQSZACIVSA-N -1 0 329.400 3.760 20 0 EHADRM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833631300 605283148 /nfs/dbraw/zinc/28/31/48/605283148.db2.gz CKDPFKYHCXBZKQ-MGPLVRAMSA-N -1 0 343.358 3.971 20 0 EHADRM C[C@]1(c2ccccc2)C[C@H]1NC(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833573282 605283926 /nfs/dbraw/zinc/28/39/26/605283926.db2.gz HGPNFPRLYZIZMR-CRAIPNDOSA-N -1 0 343.358 3.767 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@H](F)Cc2ccccc2)cc1 ZINC000833419221 605292639 /nfs/dbraw/zinc/29/26/39/605292639.db2.gz OXBAGYNPKWVLSI-MRXNPFEDSA-N -1 0 329.371 3.568 20 0 EHADRM C[C@]1(NC(=O)CC2CCC(C(F)(F)F)CC2)CCCC[C@H]1C(=O)[O-] ZINC000262920817 605299656 /nfs/dbraw/zinc/29/96/56/605299656.db2.gz ZHYSJQKHYMTLRF-BRNNPLJLSA-N -1 0 349.393 3.895 20 0 EHADRM C[C@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1)c1cccnc1 ZINC000833514169 605302966 /nfs/dbraw/zinc/30/29/66/605302966.db2.gz PODGQZACJXQJOI-JLTOFOAXSA-N -1 0 348.402 3.671 20 0 EHADRM C[C@@H](Cc1noc(Cc2ccc(Cl)c(Cl)c2)n1)N(C)C(=O)[O-] ZINC000825047911 605305275 /nfs/dbraw/zinc/30/52/75/605305275.db2.gz MAPAWNSIDMJFAS-QMMMGPOBSA-N -1 0 344.198 3.508 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cccs1)c1ccc(C(F)(F)F)cc1 ZINC000833773525 605310582 /nfs/dbraw/zinc/31/05/82/605310582.db2.gz WQBHHWUDXZGDIX-LLVKDONJSA-N -1 0 343.326 3.713 20 0 EHADRM C/C(=C\COC(=O)c1c(C)cc(Br)cc1Cl)C(=O)[O-] ZINC000833385396 605315358 /nfs/dbraw/zinc/31/53/58/605315358.db2.gz SISBCKALLPLEJU-XVNBXDOJSA-N -1 0 347.592 3.599 20 0 EHADRM Cc1ccc(C(C)C)c(OCc2nc(C[C@H](C)N(C)C(=O)[O-])no2)c1 ZINC000830251348 605329005 /nfs/dbraw/zinc/32/90/05/605329005.db2.gz OUBBAZQZSATIQQ-ZDUSSCGKSA-N -1 0 347.415 3.621 20 0 EHADRM COc1cc(F)cc(CN[C@H](C(=O)[O-])c2c(F)cccc2Cl)c1 ZINC000833728257 605362727 /nfs/dbraw/zinc/36/27/27/605362727.db2.gz AQCZGNOQARDLBU-HNNXBMFYSA-N -1 0 341.741 3.542 20 0 EHADRM C[C@]1(NC(=O)c2ccc(-c3ccccc3)o2)CCCC[C@H]1C(=O)[O-] ZINC000833567438 605366834 /nfs/dbraw/zinc/36/68/34/605366834.db2.gz LWAWCFGJBVFVIG-LIRRHRJNSA-N -1 0 327.380 3.710 20 0 EHADRM CC(C)Oc1c(F)cc(NC(=O)Cc2cccc(C(=O)[O-])c2)cc1F ZINC000833505041 605375476 /nfs/dbraw/zinc/37/54/76/605375476.db2.gz FNMYXZXRTICMDK-UHFFFAOYSA-N -1 0 349.333 3.631 20 0 EHADRM CCOc1cccc(CCNC(=O)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000827448765 605380255 /nfs/dbraw/zinc/38/02/55/605380255.db2.gz QTJFDUNSTGQCBQ-UHFFFAOYSA-N -1 0 343.383 3.539 20 0 EHADRM CCc1cc(NC(=O)N[C@H](CC(=O)[O-])c2ccccc2)ccc1C ZINC000326488248 605399144 /nfs/dbraw/zinc/39/91/44/605399144.db2.gz ICGFLDYTIBTVBW-QGZVFWFLSA-N -1 0 326.396 3.895 20 0 EHADRM CCc1cc(NC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)ccc1C ZINC000326231453 605399214 /nfs/dbraw/zinc/39/92/14/605399214.db2.gz IZVUVAPAYVPJSR-QGZVFWFLSA-N -1 0 326.396 3.547 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)c1ccccc1NC(=O)[O-])C(F)(F)F ZINC000833424526 605408971 /nfs/dbraw/zinc/40/89/71/605408971.db2.gz PLLANZKZKHOSHR-LLVKDONJSA-N -1 0 332.322 3.873 20 0 EHADRM O=C([O-])N1CCC(CSCc2nc(C(F)(F)F)cs2)CC1 ZINC000834083138 605409855 /nfs/dbraw/zinc/40/98/55/605409855.db2.gz UNVMZXWKTIDOMG-UHFFFAOYSA-N -1 0 340.392 3.785 20 0 EHADRM Cc1ccc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)cc1NC(=O)[O-] ZINC000830211391 605432498 /nfs/dbraw/zinc/43/24/98/605432498.db2.gz POVFJSSTZRCADK-HNNXBMFYSA-N -1 0 346.427 3.697 20 0 EHADRM CCn1c2cc(F)ccc2nc1NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000833683968 605479605 /nfs/dbraw/zinc/47/96/05/605479605.db2.gz NRHYSTKMYBGVLR-UHFFFAOYSA-N -1 0 342.330 3.538 20 0 EHADRM O=C([O-])Nc1ccc(CN2CCn3cccc3[C@H]2c2ccccc2)cn1 ZINC000834260346 605501713 /nfs/dbraw/zinc/50/17/13/605501713.db2.gz QBROSMMQXFYAFK-LJQANCHMSA-N -1 0 348.406 3.578 20 0 EHADRM CN(C(=O)c1ccnc(SC(C)(C)C)c1)c1ccccc1C(=O)[O-] ZINC000833686759 605502915 /nfs/dbraw/zinc/50/29/15/605502915.db2.gz JOBQSBYMEYYIGT-UHFFFAOYSA-N -1 0 344.436 3.947 20 0 EHADRM O=C([O-])Nc1ccc(NCc2ccc(CO)cc2)c(C(F)(F)F)c1 ZINC000834262050 605503708 /nfs/dbraw/zinc/50/37/08/605503708.db2.gz MNHCRGGZKOTULH-UHFFFAOYSA-N -1 0 340.301 3.900 20 0 EHADRM O=C([O-])Nc1cccc(OC(=O)c2cnc(-c3ccccn3)s2)c1 ZINC000738670718 605506361 /nfs/dbraw/zinc/50/63/61/605506361.db2.gz UNAUPJMFQZRSFE-UHFFFAOYSA-N -1 0 341.348 3.514 20 0 EHADRM C[C@H](C(=O)O[C@@H](C(=O)[O-])c1c(F)cccc1Cl)c1ccco1 ZINC000833404981 605510096 /nfs/dbraw/zinc/51/00/96/605510096.db2.gz AJZVFRXIESNPML-ISVAXAHUSA-N -1 0 326.707 3.545 20 0 EHADRM COc1ccc(Cl)cc1NC(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000829404624 605564729 /nfs/dbraw/zinc/56/47/29/605564729.db2.gz UNVAVKMQEOVNBL-UHFFFAOYSA-N -1 0 334.759 3.999 20 0 EHADRM Cc1cc(C(=O)NCc2nc3ccccc3s2)ccc1NC(=O)[O-] ZINC000829956132 605577880 /nfs/dbraw/zinc/57/78/80/605577880.db2.gz BLKLFSOTHRTFKN-UHFFFAOYSA-N -1 0 341.392 3.625 20 0 EHADRM C[C@H]1C[C@@H](C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)CC(C)(C)C1 ZINC000262965672 605613537 /nfs/dbraw/zinc/61/35/37/605613537.db2.gz OXMXZYQCKFVCAQ-XJKSGUPXSA-N -1 0 329.440 3.732 20 0 EHADRM O=C([O-])Nc1cccc(CSc2nccn2Cc2ccccn2)c1 ZINC000834269869 605641773 /nfs/dbraw/zinc/64/17/73/605641773.db2.gz UVNHUBLXPMTDMY-UHFFFAOYSA-N -1 0 340.408 3.709 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCC[C@@H]2c2ccsc2)c(O)c1 ZINC000834257409 605643199 /nfs/dbraw/zinc/64/31/99/605643199.db2.gz IOFQZSFCOMOSLX-CYBMUJFWSA-N -1 0 332.381 3.521 20 0 EHADRM CC[C@H](NC(=O)c1ccc(NC(=O)[O-])c(C)c1)c1nc(C)cs1 ZINC000826613878 605677910 /nfs/dbraw/zinc/67/79/10/605677910.db2.gz TUPVEZATUTXCOD-LBPRGKRZSA-N -1 0 333.413 3.731 20 0 EHADRM Cc1cc(C(=O)N2CC(C)(C)Oc3ccccc32)ccc1NC(=O)[O-] ZINC000829919471 605715720 /nfs/dbraw/zinc/71/57/20/605715720.db2.gz LJAHKWVROVKSAC-UHFFFAOYSA-N -1 0 340.379 3.903 20 0 EHADRM CN(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(NC(=O)[O-])c1 ZINC000833874656 605754777 /nfs/dbraw/zinc/75/47/77/605754777.db2.gz VBISPUVNASEYBJ-UHFFFAOYSA-N -1 0 332.787 3.631 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N(CC2CCC2)CC(F)(F)F)c1 ZINC000834263540 605771757 /nfs/dbraw/zinc/77/17/57/605771757.db2.gz AYWJVWFZFFJWEY-UHFFFAOYSA-N -1 0 344.333 3.510 20 0 EHADRM CC(C)(CNC(=O)c1cccc(F)c1Sc1ccccc1)C(=O)[O-] ZINC000833459253 605789805 /nfs/dbraw/zinc/78/98/05/605789805.db2.gz NPRUFEZPZGBJJB-UHFFFAOYSA-N -1 0 347.411 3.818 20 0 EHADRM Cc1nc(C2CCCC2)sc1C(=O)N1CCCCC[C@@H]1C(=O)[O-] ZINC000621568216 605793870 /nfs/dbraw/zinc/79/38/70/605793870.db2.gz ORXITJHTYCWXNA-CYBMUJFWSA-N -1 0 336.457 3.579 20 0 EHADRM O=C([O-])N[C@@H]1C[C@@H](NCc2nc(C3CC3)cs2)c2ccccc21 ZINC000834158072 605805262 /nfs/dbraw/zinc/80/52/62/605805262.db2.gz LNXCHOZSRKVKJN-ZIAGYGMSSA-N -1 0 329.425 3.564 20 0 EHADRM O=C([O-])N[C@@H]1C[C@H](Nc2ccc3c(c2)OCCCO3)c2ccccc21 ZINC000834158108 605807815 /nfs/dbraw/zinc/80/78/15/605807815.db2.gz MJLXEFBUJIBZIL-JKSUJKDBSA-N -1 0 340.379 3.714 20 0 EHADRM CCCN(C(=O)c1ccc2sccc2c1)C1CCN(C(=O)[O-])CC1 ZINC000826884651 605823377 /nfs/dbraw/zinc/82/33/77/605823377.db2.gz SLUYLDLAUAOZLB-UHFFFAOYSA-N -1 0 346.452 3.896 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)Nc2ccc(O)c3ccccc23)c1 ZINC000834266315 605844879 /nfs/dbraw/zinc/84/48/79/605844879.db2.gz NNZLHAOJRMROJB-UHFFFAOYSA-N -1 0 336.347 3.817 20 0 EHADRM C[C@H](CCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccccc1 ZINC000833802163 605918324 /nfs/dbraw/zinc/91/83/24/605918324.db2.gz BFQSCBMHMUKGEO-NAZJXLNTSA-N -1 0 344.455 3.702 20 0 EHADRM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000833930721 605995264 /nfs/dbraw/zinc/99/52/64/605995264.db2.gz USEUCUJNSIWPRC-QWRGUYRKSA-N -1 0 345.399 3.752 20 0 EHADRM O=C([O-])Nc1cccc(OC[C@H](O)c2ccccc2C(F)(F)F)c1 ZINC000834268340 606039262 /nfs/dbraw/zinc/03/92/62/606039262.db2.gz KXLONBOREYRNPA-AWEZNQCLSA-N -1 0 341.285 3.908 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cccc2cc[nH]c21)c1ccc(Cl)c(F)c1 ZINC000181891177 939033423 /nfs/dbraw/zinc/03/34/23/939033423.db2.gz CUWBUQXCGPJQRI-HNNXBMFYSA-N -1 0 346.745 3.516 20 0 EHADRM CC[C@H](CC(=O)N[C@H](C(=O)[O-])c1ccccc1)c1ccc(OC)cc1 ZINC000192861619 939039294 /nfs/dbraw/zinc/03/92/94/939039294.db2.gz ZAJKBDYNJXTHPT-KUHUBIRLSA-N -1 0 341.407 3.521 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)CC1 ZINC000761584529 939066941 /nfs/dbraw/zinc/06/69/41/939066941.db2.gz LQRGGZOOPYCCQL-XHBSWPGZSA-N -1 0 339.382 3.669 20 0 EHADRM C/C(=C/c1cccc(Cl)c1)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000761591774 939067696 /nfs/dbraw/zinc/06/76/96/939067696.db2.gz BSCBCDLGKYNYEW-NJBZPOFQSA-N -1 0 343.810 3.860 20 0 EHADRM O=C(/C=C/c1ccccc1)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000762206151 939071455 /nfs/dbraw/zinc/07/14/55/939071455.db2.gz LDBZQOOBQCXEBR-XEDBTPMOSA-N -1 0 331.371 3.795 20 0 EHADRM Cc1cc2[nH]c(C(=O)N[C@@](C)(C(=O)[O-])c3ccccc3)cc2c(C)c1 ZINC000766962455 939083716 /nfs/dbraw/zinc/08/37/16/939083716.db2.gz OSJOBSSPAJUORA-HXUWFJFHSA-N -1 0 336.391 3.515 20 0 EHADRM CC[C@](NC(=O)/C(C)=C\c1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC000776618967 939089311 /nfs/dbraw/zinc/08/93/11/939089311.db2.gz HVEYVCOLDLHILB-CLEWGBKMSA-N -1 0 341.382 3.735 20 0 EHADRM COc1ccc([C@@H](NC(=O)C2CCCCCC2)C(=O)[O-])cc1Cl ZINC000262961417 939089340 /nfs/dbraw/zinc/08/93/40/939089340.db2.gz HZVUKSLNQYOMQZ-OAHLLOKOSA-N -1 0 339.819 3.561 20 0 EHADRM C[C@@](NC(=O)[C@H]1CC=CCC1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000263044264 939095354 /nfs/dbraw/zinc/09/53/54/939095354.db2.gz PLHMDDANKUQYJW-QFYYESIMSA-N -1 0 342.222 3.766 20 0 EHADRM Cc1cc([C@@H](NC(=O)C[C@H](C)c2ccccc2)C(=O)[O-])ccc1F ZINC000263106835 939100955 /nfs/dbraw/zinc/10/09/55/939100955.db2.gz RLXBVJJERJSGOH-KPZWWZAWSA-N -1 0 329.371 3.570 20 0 EHADRM Cc1ccc([C@H](NC(=O)[C@H](C)c2c(F)cccc2F)C(=O)[O-])cc1C ZINC000263521189 939114135 /nfs/dbraw/zinc/11/41/35/939114135.db2.gz HIQSAUSVVYXVHB-PXAZEXFGSA-N -1 0 347.361 3.627 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N[C@@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC000263520880 939114246 /nfs/dbraw/zinc/11/42/46/939114246.db2.gz HCOVMFICMUYADB-QGZVFWFLSA-N -1 0 329.396 3.884 20 0 EHADRM C[C@@](NC(=O)c1cccc(Cl)c1Cl)(C(=O)[O-])c1ccccc1 ZINC000386493616 939132945 /nfs/dbraw/zinc/13/29/45/939132945.db2.gz ZCUJQLCXTCGADX-INIZCTEOSA-N -1 0 338.190 3.723 20 0 EHADRM C[C@@](NC(=O)Nc1ccc(Cl)c(F)c1)(C(=O)[O-])c1ccccc1 ZINC000390699125 939135750 /nfs/dbraw/zinc/13/57/50/939135750.db2.gz FFFFTTXNMGBVAX-INIZCTEOSA-N -1 0 336.750 3.601 20 0 EHADRM CC[C@](NC(=O)[C@H]1CCC[C@@H](F)C1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000425229219 939141672 /nfs/dbraw/zinc/14/16/72/939141672.db2.gz BGWTZVGVYUPASS-FABXCBLPSA-N -1 0 341.810 3.674 20 0 EHADRM COc1ccc([C@@H](NC(=O)Nc2cc(Cl)ccc2C)C(=O)[O-])cc1 ZINC000788317580 939148848 /nfs/dbraw/zinc/14/88/48/939148848.db2.gz IBXKWISHGRTHHU-OAHLLOKOSA-N -1 0 348.786 3.604 20 0 EHADRM Cc1cccc([C@H](NC(=O)Nc2nc(C3CC3)cs2)C(=O)[O-])c1C ZINC000788319880 939149932 /nfs/dbraw/zinc/14/99/32/939149932.db2.gz AFSPGSJXMCMZNE-AWEZNQCLSA-N -1 0 345.424 3.585 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)c(C)c1 ZINC000788323754 939151823 /nfs/dbraw/zinc/15/18/23/939151823.db2.gz YMUWVUVVSDDQKH-QGZVFWFLSA-N -1 0 326.396 3.868 20 0 EHADRM C[C@@H]1CCC[C@@H](C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)C1 ZINC000431859476 939163005 /nfs/dbraw/zinc/16/30/05/939163005.db2.gz RGYYSEIMNSKWED-FSPWUOQZSA-N -1 0 325.408 3.908 20 0 EHADRM CC(C)CCSCC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000431866107 939164343 /nfs/dbraw/zinc/16/43/43/939164343.db2.gz STMAXDBFXADGQX-SFHVURJKSA-N -1 0 345.464 3.861 20 0 EHADRM C[C@@H](CC(=O)NC1(C(=O)[O-])CCCCCC1)c1ccc(F)cc1F ZINC000431987736 939171017 /nfs/dbraw/zinc/17/10/17/939171017.db2.gz QVZYZIHHQVAQMB-LBPRGKRZSA-N -1 0 339.382 3.752 20 0 EHADRM CCCc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(OC)cc2)cc1 ZINC000797735222 939197873 /nfs/dbraw/zinc/19/78/73/939197873.db2.gz GXCQMQADHGTEHG-QGZVFWFLSA-N -1 0 342.395 3.595 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000797742580 939204418 /nfs/dbraw/zinc/20/44/18/939204418.db2.gz KIPVBFLNZLBYKE-ORAYPTAESA-N -1 0 342.395 3.516 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N[C@H](C(=O)[O-])c2cccs2)cc1 ZINC000448987688 939205239 /nfs/dbraw/zinc/20/52/39/939205239.db2.gz CAURSTZMULUHHL-PXAZEXFGSA-N -1 0 331.437 3.746 20 0 EHADRM CCSc1cccc(NC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000797745660 939207867 /nfs/dbraw/zinc/20/78/67/939207867.db2.gz XRKCPLVWXIMYJD-GOSISDBHSA-N -1 0 344.436 3.920 20 0 EHADRM Cc1cc(C(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)c(C)n1C1CC1 ZINC000455885777 939209507 /nfs/dbraw/zinc/20/95/07/939209507.db2.gz OSYPJMSIGBDZTN-GOSISDBHSA-N -1 0 340.423 3.612 20 0 EHADRM CCOc1cc(C(=O)N[C@@](CC)(C(=O)[O-])c2ccccc2)ccc1C ZINC000485357381 939225662 /nfs/dbraw/zinc/22/56/62/939225662.db2.gz LLVNLAZABWYNNL-HXUWFJFHSA-N -1 0 341.407 3.514 20 0 EHADRM CC[C@@](NC(=O)CC(C)(C)c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000485358731 939225725 /nfs/dbraw/zinc/22/57/25/939225725.db2.gz PNEAOWPYBQMRBX-NRFANRHFSA-N -1 0 339.435 3.861 20 0 EHADRM CC[C@@](NC(=O)Cc1cccc(F)c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507311394 939234289 /nfs/dbraw/zinc/23/42/89/939234289.db2.gz MYZILVNFKGHMNY-SFHVURJKSA-N -1 0 349.789 3.528 20 0 EHADRM Cc1ccc(COc2cccc(NC(=O)[C@H](C(=O)[O-])C3CC3)c2)cc1 ZINC000852946773 939238870 /nfs/dbraw/zinc/23/88/70/939238870.db2.gz CPJVAQOSUCUMAX-GOSISDBHSA-N -1 0 339.391 3.623 20 0 EHADRM C[C@@H](c1ccc(C(=O)NC2(C(=O)[O-])CCCCC2)cc1)C(F)(F)F ZINC000856722566 939243133 /nfs/dbraw/zinc/24/31/33/939243133.db2.gz NMXOPKZXVKFFRE-NSHDSACASA-N -1 0 343.345 3.870 20 0 EHADRM COc1ccc(NC(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)c(C)c1 ZINC000900328055 939274764 /nfs/dbraw/zinc/27/47/64/939274764.db2.gz JGSPUTZSUMILDM-KRWDZBQOSA-N -1 0 342.395 3.568 20 0 EHADRM CC(C)(C)Oc1cccc(NC(=O)N[C@H](C(=O)[O-])c2cccs2)c1 ZINC000900351857 939279420 /nfs/dbraw/zinc/27/94/20/939279420.db2.gz UOEIQGUXIHQPIZ-AWEZNQCLSA-N -1 0 348.424 3.873 20 0 EHADRM O=C([O-])[C@H](NC(=O)NC[C@@H]1CC=CCC1)c1ccc2ccccc2c1 ZINC000565694765 939350375 /nfs/dbraw/zinc/35/03/75/939350375.db2.gz JSLLLJCGTDFOCX-RDTXWAMCSA-N -1 0 338.407 3.621 20 0 EHADRM CC[C@H](NC(=O)N[C@H](C(=O)[O-])c1ccccc1)c1ccc(Cl)cc1 ZINC000570306718 939382942 /nfs/dbraw/zinc/38/29/42/939382942.db2.gz QPJQMHRDVPTWAD-HOTGVXAUSA-N -1 0 346.814 3.916 20 0 EHADRM Cc1cc(C)cc([C@@H](NC(=O)Nc2cc(F)cc(F)c2)C(=O)[O-])c1 ZINC000570904764 939387205 /nfs/dbraw/zinc/38/72/05/939387205.db2.gz XHOLUUBCNGGFIL-OAHLLOKOSA-N -1 0 334.322 3.529 20 0 EHADRM C[C@@H](NC(=O)N[C@@](C)(C(=O)[O-])C1CC1)c1cccc(Cl)c1Cl ZINC000570956769 939387614 /nfs/dbraw/zinc/38/76/14/939387614.db2.gz JVSAIKSPYAGORC-ANRSDYALSA-N -1 0 345.226 3.607 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1cccc(F)c1)c1ccc(Cl)c(F)c1 ZINC000571512490 939392470 /nfs/dbraw/zinc/39/24/70/939392470.db2.gz CQLHVMRTDQEPPB-ZDUSSCGKSA-N -1 0 340.713 3.566 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cccc(OC2CCCC2)c1)c1ccsc1 ZINC000572986479 939404137 /nfs/dbraw/zinc/40/41/37/939404137.db2.gz JJBQXZULBOEOMZ-MRXNPFEDSA-N -1 0 345.420 3.625 20 0 EHADRM CC[C@@](NC(=O)CCCCSC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000909606535 939722675 /nfs/dbraw/zinc/72/26/75/939722675.db2.gz QFKZONPYCFLGTL-INIZCTEOSA-N -1 0 343.876 3.679 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2ccc3nc(C4CC4)oc3c2)CCCCC1 ZINC000574023063 939723565 /nfs/dbraw/zinc/72/35/65/939723565.db2.gz PGHFOKQEWXMTBN-UHFFFAOYSA-N -1 0 343.383 3.614 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)cc1C ZINC000575197435 939732283 /nfs/dbraw/zinc/73/22/83/939732283.db2.gz MKGPCEFRUOOPPC-QGZVFWFLSA-N -1 0 326.396 3.868 20 0 EHADRM CC(C)(C)c1nc2ccc(NC(=O)N[C@H](C(=O)[O-])C3CC3)cc2s1 ZINC000575200320 939732321 /nfs/dbraw/zinc/73/23/21/939732321.db2.gz AEUJWBHGQMHXDU-ZDUSSCGKSA-N -1 0 347.440 3.579 20 0 EHADRM CCSc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000575349531 939733164 /nfs/dbraw/zinc/73/31/64/939733164.db2.gz KRQPVSWKSPGPPF-OAHLLOKOSA-N -1 0 330.409 3.746 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1sccc1C(F)F)C1CCCCCC1 ZINC000911781503 939782101 /nfs/dbraw/zinc/78/21/01/939782101.db2.gz OYWNBTHJYOPCBB-NSHDSACASA-N -1 0 331.384 3.839 20 0 EHADRM CC[C@H](NC(=O)N[C@@H](C(=O)[O-])c1cccs1)c1ccc(C)cc1 ZINC000582219257 939783162 /nfs/dbraw/zinc/78/31/62/939783162.db2.gz ZOUTVILWGIOQRQ-DZGCQCFKSA-N -1 0 332.425 3.633 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)N[C@@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC000584093706 939795190 /nfs/dbraw/zinc/79/51/90/939795190.db2.gz BPWXJKVPBHASBQ-CQSZACIVSA-N -1 0 346.452 3.747 20 0 EHADRM C[C@@H](NC(=O)N[C@H](C(=O)[O-])c1cccs1)c1cccc(C2CC2)c1 ZINC000929040244 939798202 /nfs/dbraw/zinc/79/82/02/939798202.db2.gz WEPJBJZQJQZRBX-BZNIZROVSA-N -1 0 344.436 3.812 20 0 EHADRM Cc1cc([C@H](NC(=O)CC2CCC(F)(F)CC2)C(=O)[O-])ccc1F ZINC000630187506 939814364 /nfs/dbraw/zinc/81/43/64/939814364.db2.gz AFPAXXTYFCJXMX-HNNXBMFYSA-N -1 0 343.345 3.592 20 0 EHADRM CCC[C@@H](C(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1)c1ccccn1 ZINC000630193048 939816845 /nfs/dbraw/zinc/81/68/45/939816845.db2.gz ZXDRXAWAUXGTEH-AEFFLSMTSA-N -1 0 340.423 3.524 20 0 EHADRM CC1(C)CCC[C@@](NC(=O)c2ccc(C(F)F)cc2F)(C(=O)[O-])C1 ZINC000630247588 939820432 /nfs/dbraw/zinc/82/04/32/939820432.db2.gz JZJMVCHSJSWYBM-KRWDZBQOSA-N -1 0 343.345 3.917 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1cccc(-c2nccs2)c1)C1CCCC1 ZINC000656850564 939847294 /nfs/dbraw/zinc/84/72/94/939847294.db2.gz UPJJRSKZTUVZCB-CQSZACIVSA-N -1 0 330.409 3.640 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)c2cc(Cl)ccc2Cl)(C(=O)[O-])CC1 ZINC000659182357 939850399 /nfs/dbraw/zinc/85/03/99/939850399.db2.gz MICXHEUTDKPPSF-AZKDTHOKSA-N -1 0 330.211 3.757 20 0 EHADRM O=C([O-])[C@H](C(=O)N[C@H]1CCc2ccc(-c3ccccc3)cc21)C1CC1 ZINC000663051891 939851675 /nfs/dbraw/zinc/85/16/75/939851675.db2.gz GWPBHOAQPAWLFN-OALUTQOASA-N -1 0 335.403 3.568 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)cc1 ZINC000663072198 939852621 /nfs/dbraw/zinc/85/26/21/939852621.db2.gz NKDDUPMLQQXWBF-HNNXBMFYSA-N -1 0 331.412 3.745 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000683307193 939870313 /nfs/dbraw/zinc/87/03/13/939870313.db2.gz IMOKHRZUESSRRP-BFUOFWGJSA-N -1 0 345.826 3.635 20 0 EHADRM C[C@@H](C(=O)N[C@](C)(C(=O)[O-])c1ccccc1)c1ccc(Cl)s1 ZINC000683307145 939870326 /nfs/dbraw/zinc/87/03/26/939870326.db2.gz IEUGNNATYJUMDF-HWPZZCPQSA-N -1 0 337.828 3.621 20 0 EHADRM C[C@@H](NC(=O)NC1(C(=O)[O-])CCCCCC1)c1cc2ccccc2o1 ZINC000684715706 939871741 /nfs/dbraw/zinc/87/17/41/939871741.db2.gz PXBVMYANMJPNLO-CYBMUJFWSA-N -1 0 344.411 3.971 20 0 EHADRM O=C([O-])[C@@H](NC(=O)NCc1csc2ccccc12)c1ccsc1 ZINC000684723102 939872622 /nfs/dbraw/zinc/87/26/22/939872622.db2.gz RQZVUXOUOABBHD-AWEZNQCLSA-N -1 0 346.433 3.588 20 0 EHADRM COc1ccc(Cl)cc1NC(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000321770658 970806195 /nfs/dbraw/zinc/80/61/95/970806195.db2.gz PMZYKFWFSYKIGB-UHFFFAOYSA-N -1 0 340.807 3.505 20 0 EHADRM O=C([O-])c1cccc(F)c1NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000321977986 970832702 /nfs/dbraw/zinc/83/27/02/970832702.db2.gz ZZGCBLNVDCTVIX-RKDXNWHRSA-N -1 0 333.281 3.831 20 0 EHADRM C[C@@H](Cc1cccs1)N(C)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000321997997 970835425 /nfs/dbraw/zinc/83/54/25/970835425.db2.gz QVUSIKKDZFJKHJ-JTQLQIEISA-N -1 0 336.388 3.680 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC001610991517 970836279 /nfs/dbraw/zinc/83/62/79/970836279.db2.gz SVZONXVRTWCMTK-KBPBESRZSA-N -1 0 334.416 3.503 20 0 EHADRM C[C@@H]1CCC[C@H](CNC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C1 ZINC000322261110 970866075 /nfs/dbraw/zinc/86/60/75/970866075.db2.gz PHLFXWCEZVQAPL-ZJUUUORDSA-N -1 0 326.343 3.611 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000322738805 970924754 /nfs/dbraw/zinc/92/47/54/970924754.db2.gz ZQGMGHBQUISXLT-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM C[C@@H]1CCN(Cc2coc(-c3ccc(Cl)cc3)n2)[C@H](C(=O)[O-])C1 ZINC000322774631 970928542 /nfs/dbraw/zinc/92/85/42/970928542.db2.gz KJTYXKIOUFRXPE-ABAIWWIYSA-N -1 0 334.803 3.680 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)Cc1cc(Cl)cc(Cl)c1 ZINC001601366148 970981452 /nfs/dbraw/zinc/98/14/52/970981452.db2.gz XTCUEUDBDFHDAP-UHFFFAOYSA-N -1 0 338.190 3.551 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1cc2c(cccc2F)s1 ZINC000323893815 971053700 /nfs/dbraw/zinc/05/37/00/971053700.db2.gz OAFKSSTWQARPSW-UHFFFAOYSA-N -1 0 341.363 3.942 20 0 EHADRM Cc1ccc(O[C@H](C)C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)cc1 ZINC000323997282 971071665 /nfs/dbraw/zinc/07/16/65/971071665.db2.gz DTHLTQCETBTBHE-LLVKDONJSA-N -1 0 345.420 3.649 20 0 EHADRM COc1cc(Cl)ccc1C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC000324017741 971074649 /nfs/dbraw/zinc/07/46/49/971074649.db2.gz MVWUWFPWUQVKRV-AWEZNQCLSA-N -1 0 339.819 3.502 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000324106814 971084901 /nfs/dbraw/zinc/08/49/01/971084901.db2.gz MPMDZSNSONMFGU-UHFFFAOYSA-N -1 0 331.274 3.970 20 0 EHADRM C[C@H]1CCC[C@@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC000324144724 971087934 /nfs/dbraw/zinc/08/79/34/971087934.db2.gz WVOKNZRFVDABFO-VHSXEESVSA-N -1 0 326.343 3.753 20 0 EHADRM CC(C)CCC[C@H](C)n1c(=O)c2ccccc2nc1SCC(=O)[O-] ZINC000324488680 971125384 /nfs/dbraw/zinc/12/53/84/971125384.db2.gz IMLZXHNCDIOARD-ZDUSSCGKSA-N -1 0 348.468 3.961 20 0 EHADRM CCCc1ccccc1NC(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000324532580 971130578 /nfs/dbraw/zinc/13/05/78/971130578.db2.gz RPXXDUBLFHIDKA-OAHLLOKOSA-N -1 0 344.333 3.510 20 0 EHADRM CCCCc1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000324598386 971137209 /nfs/dbraw/zinc/13/72/09/971137209.db2.gz HTRUHOBIEVEPBF-HXUWFJFHSA-N -1 0 325.408 3.759 20 0 EHADRM Cc1ccc(NC(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)cc1C(=O)[O-] ZINC000324835534 971161496 /nfs/dbraw/zinc/16/14/96/971161496.db2.gz VWCOVRPIPPTIBG-WFASDCNBSA-N -1 0 327.380 3.981 20 0 EHADRM O=C([O-])c1ccc(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 ZINC000324844754 971163364 /nfs/dbraw/zinc/16/33/64/971163364.db2.gz LBNIVXIOAWEZNF-UHFFFAOYSA-N -1 0 340.257 3.924 20 0 EHADRM CCOc1ccc2nc(NC(=O)c3cccc(C(=O)[O-])c3)sc2c1 ZINC000325123699 971187071 /nfs/dbraw/zinc/18/70/71/971187071.db2.gz ZKRPDSXXJWECMJ-UHFFFAOYSA-N -1 0 342.376 3.646 20 0 EHADRM Cc1oc(CNC(=O)N(CCC(C)C)C2CCCC2)cc1C(=O)[O-] ZINC000325189333 971192314 /nfs/dbraw/zinc/19/23/14/971192314.db2.gz CGAMBIQAUUSSND-UHFFFAOYSA-N -1 0 336.432 3.787 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ncoc2-c2ccc(F)cc2)c(F)c1 ZINC001602380956 971192496 /nfs/dbraw/zinc/19/24/96/971192496.db2.gz OTFFRIYGXHHMSZ-UHFFFAOYSA-N -1 0 344.273 3.570 20 0 EHADRM Cc1cc(C)c(NC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)c(C)c1 ZINC000325242551 971197293 /nfs/dbraw/zinc/19/72/93/971197293.db2.gz DVZQQFJSNWOUPA-HNNXBMFYSA-N -1 0 332.444 3.967 20 0 EHADRM CSc1ccc(NC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000325261656 971199647 /nfs/dbraw/zinc/19/96/47/971199647.db2.gz NYTIVQDELNEWDD-UHFFFAOYSA-N -1 0 342.420 3.697 20 0 EHADRM CC(C)CC1(CNC(=O)NCc2cccc(C(=O)[O-])c2)CCCC1 ZINC000325297624 971202699 /nfs/dbraw/zinc/20/26/99/971202699.db2.gz MSMSRGLGMVXEAE-UHFFFAOYSA-N -1 0 332.444 3.791 20 0 EHADRM CCc1cccc(CC)c1NC(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000325545511 971225133 /nfs/dbraw/zinc/22/51/33/971225133.db2.gz UIPMHENVPDQUCO-UHFFFAOYSA-N -1 0 332.444 3.968 20 0 EHADRM O=C([O-])[C@H]1CN(Cc2coc(-c3cccs3)n2)Cc2ccccc21 ZINC000325649422 971233623 /nfs/dbraw/zinc/23/36/23/971233623.db2.gz YDTLXLFYWZBUBR-HNNXBMFYSA-N -1 0 340.404 3.587 20 0 EHADRM O=C([O-])c1cccc2c1CCN(Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000325763478 971241288 /nfs/dbraw/zinc/24/12/88/971241288.db2.gz JHJNVXQMIWORMH-UHFFFAOYSA-N -1 0 346.770 3.505 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)N2CCC[C@H]2C2CCCC2)c1 ZINC000325871325 971250681 /nfs/dbraw/zinc/25/06/81/971250681.db2.gz LDKTXQDBQWNOBE-KRWDZBQOSA-N -1 0 330.428 3.890 20 0 EHADRM CC12C[C@H]3C[C@@H](C1)CC(C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)(C3)C2 ZINC000326223988 971275054 /nfs/dbraw/zinc/27/50/54/971275054.db2.gz DZAINOLXJKMXLE-NVZZZQCFSA-N -1 0 333.472 3.696 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)c2ccccc2C(F)(F)F)c1F ZINC000326827988 971332672 /nfs/dbraw/zinc/33/26/72/971332672.db2.gz INABHLPGVTWWFF-UHFFFAOYSA-N -1 0 345.223 3.934 20 0 EHADRM CCc1ccccc1CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000326859933 971337196 /nfs/dbraw/zinc/33/71/96/971337196.db2.gz QXBKREJNQOFCKN-UHFFFAOYSA-N -1 0 334.322 3.547 20 0 EHADRM O=C([O-])[C@H]1Cc2ccccc2N(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000326895876 971342156 /nfs/dbraw/zinc/34/21/56/971342156.db2.gz HRJXVDCWQHSMAX-ZDUSSCGKSA-N -1 0 346.770 3.512 20 0 EHADRM CSc1ccc(C)c(C(=O)N2C[C@H](C(=O)[O-])Cc3ccccc32)c1 ZINC000326929623 971346593 /nfs/dbraw/zinc/34/65/93/971346593.db2.gz WPUNUAQXVZUHEH-CQSZACIVSA-N -1 0 341.432 3.621 20 0 EHADRM CC[C@@H](C)[C@@H](C(=O)NCCc1ccccc1C(=O)[O-])c1ccccc1 ZINC000327178975 971374838 /nfs/dbraw/zinc/37/48/38/971374838.db2.gz AGQONGQOQLBBRZ-DNVCBOLYSA-N -1 0 339.435 3.873 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C[C@H]2CNc3ccccc32)cc1 ZINC000327222609 971376803 /nfs/dbraw/zinc/37/68/03/971376803.db2.gz QGDQXZAWFSVXGU-ZDUSSCGKSA-N -1 0 338.407 3.587 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)c2occc2-c2ccccc2)c1 ZINC000327262200 971380466 /nfs/dbraw/zinc/38/04/66/971380466.db2.gz BTBHFDGXHWNQPB-UHFFFAOYSA-N -1 0 335.359 3.617 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)c1ccc2c(c1)COC2 ZINC000327295440 971383984 /nfs/dbraw/zinc/38/39/84/971383984.db2.gz JYCPNKRRYZFRNY-UHFFFAOYSA-N -1 0 333.343 3.821 20 0 EHADRM COc1ccc(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])cc1F ZINC000327287205 971384266 /nfs/dbraw/zinc/38/42/66/971384266.db2.gz IOSVJXMMYPILIU-UHFFFAOYSA-N -1 0 339.322 3.938 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2C[C@H](C(=O)[O-])Cc3ccccc32)cc1 ZINC000327692284 971419547 /nfs/dbraw/zinc/41/95/47/971419547.db2.gz SVRQAAZNVAGXLJ-MRXNPFEDSA-N -1 0 337.419 3.888 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)CCc1cccc(Br)c1 ZINC000013165985 948778065 /nfs/dbraw/zinc/77/80/65/948778065.db2.gz IDRXAIWZLXHCNA-UHFFFAOYSA-N -1 0 348.196 3.719 20 0 EHADRM CC[C@@H](NC(=O)Nc1cccc(CCC(=O)[O-])c1)c1nc(C)cs1 ZINC001589565274 948858228 /nfs/dbraw/zinc/85/82/28/948858228.db2.gz DEPNLSIVSMFNGM-CQSZACIVSA-N -1 0 347.440 3.742 20 0 EHADRM Cc1ccccc1SCC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000336874830 971514873 /nfs/dbraw/zinc/51/48/73/971514873.db2.gz YMUAVMSCFRVRAC-UHFFFAOYSA-N -1 0 329.421 3.743 20 0 EHADRM CCCC[C@H](NC(=O)CSc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000345250881 971518719 /nfs/dbraw/zinc/51/87/19/971518719.db2.gz YYBAMKDGVKQCRK-LBPRGKRZSA-N -1 0 349.374 3.557 20 0 EHADRM CC(C)C[C@H](NC(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)C(=O)[O-] ZINC000345805261 971519942 /nfs/dbraw/zinc/51/99/42/971519942.db2.gz LFNKJUAPRQZIIL-LBPRGKRZSA-N -1 0 343.210 3.704 20 0 EHADRM CCC[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2C)c(F)c1)C(=O)[O-] ZINC000347391979 971525151 /nfs/dbraw/zinc/52/51/51/971525151.db2.gz XZYCCDSRUUEFGT-QGZVFWFLSA-N -1 0 347.361 3.923 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000348393210 971527338 /nfs/dbraw/zinc/52/73/38/971527338.db2.gz BLUUPXFBPUMCTE-ZDUSSCGKSA-N -1 0 331.799 3.703 20 0 EHADRM CC[C@@H](NC(=O)CC1(CC(=O)[O-])CCCC1)c1ccc(F)cc1F ZINC000348282441 971527885 /nfs/dbraw/zinc/52/78/85/971527885.db2.gz RKCBJDJQNQTFFQ-OAHLLOKOSA-N -1 0 339.382 3.957 20 0 EHADRM O=C([O-])c1coc(C(=O)NCc2ccccc2Oc2ccccc2)c1 ZINC000352393189 971528958 /nfs/dbraw/zinc/52/89/58/971528958.db2.gz ZJJGKDFDIBROCC-UHFFFAOYSA-N -1 0 337.331 3.700 20 0 EHADRM Cc1ccccc1[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC000358609666 971531133 /nfs/dbraw/zinc/53/11/33/971531133.db2.gz PMMDIYWUJUVNSX-KRWDZBQOSA-N -1 0 327.355 3.810 20 0 EHADRM COc1ccc(NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])cc1 ZINC000362404100 971534802 /nfs/dbraw/zinc/53/48/02/971534802.db2.gz SHYFNMOCLGXICM-NSHDSACASA-N -1 0 331.393 3.513 20 0 EHADRM CC[C@H](Sc1nnc(-c2ccccc2)n1Cc1ccco1)C(=O)[O-] ZINC001589586814 949060637 /nfs/dbraw/zinc/06/06/37/949060637.db2.gz XMCWLUIGULKAQB-AWEZNQCLSA-N -1 0 343.408 3.542 20 0 EHADRM CSc1ccc(C)c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000347847580 971526031 /nfs/dbraw/zinc/52/60/31/971526031.db2.gz FHHKPHNUYJODHD-INIZCTEOSA-N -1 0 347.411 3.802 20 0 EHADRM O=C([O-])[C@@H](CC1CC1)NC(=O)CC1CCC(c2ccccc2)CC1 ZINC000347505528 971526150 /nfs/dbraw/zinc/52/61/50/971526150.db2.gz VCOASXYUIWSBNX-VMWRSERWSA-N -1 0 329.440 3.720 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@@H](c2ccccc2C)C2CC2)C1 ZINC001589595351 949137156 /nfs/dbraw/zinc/13/71/56/949137156.db2.gz DPDQMRHUGYPQCJ-YLJYHZDGSA-N -1 0 344.455 3.733 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2c(C)nc3ccccc3c2C)C1 ZINC001589599293 949196806 /nfs/dbraw/zinc/19/68/06/949196806.db2.gz XGGSBGCQXNNQNZ-HXUWFJFHSA-N -1 0 340.423 3.569 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)o1 ZINC001595225162 949283024 /nfs/dbraw/zinc/28/30/24/949283024.db2.gz IDEPGXBAFLUNQV-STMXVASLSA-N -1 0 345.782 3.661 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N2CCCC3(CCCC3)CC2)cc1 ZINC001595227912 949334360 /nfs/dbraw/zinc/33/43/60/949334360.db2.gz QYMDPHVDSVIMGJ-UHFFFAOYSA-N -1 0 330.428 3.641 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cccc(F)c2Br)c1 ZINC000155682948 949357302 /nfs/dbraw/zinc/35/73/02/949357302.db2.gz XBYZLEZCBPBKHO-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)c(F)c1 ZINC001595235697 949393201 /nfs/dbraw/zinc/39/32/01/949393201.db2.gz DASGMLKCTPCEEY-XFBWCDHKSA-N -1 0 345.757 3.702 20 0 EHADRM Cc1cc(Br)c(F)cc1NC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC000164183306 949413368 /nfs/dbraw/zinc/41/33/68/949413368.db2.gz QQZBWXLWJDKWCT-LLVKDONJSA-N -1 0 346.196 3.582 20 0 EHADRM CC[C@H]1CCc2c(sc(NC(=O)COC(C)(C)C)c2C(=O)[O-])C1 ZINC001589622357 949431806 /nfs/dbraw/zinc/43/18/06/949431806.db2.gz CDYPYODVBXGQOH-JTQLQIEISA-N -1 0 339.457 3.715 20 0 EHADRM CC[C@@H]1CCc2nc(NC(=O)c3cccc(C(=O)[O-])c3)sc2C1 ZINC001589624353 949456150 /nfs/dbraw/zinc/45/61/50/949456150.db2.gz GXUDGFVBPSNZPE-SNVBAGLBSA-N -1 0 330.409 3.609 20 0 EHADRM CCC(CC)(CNC(=O)c1ccc(-c2ccccc2)nc1C)C(=O)[O-] ZINC000191119937 949505323 /nfs/dbraw/zinc/50/53/23/949505323.db2.gz DLYGYFGXERSMSG-UHFFFAOYSA-N -1 0 340.423 3.678 20 0 EHADRM CCC[C@@H](C(=O)NC[C@H](C(=O)[O-])C(C)C)c1cccc(Cl)c1 ZINC001589630539 949529162 /nfs/dbraw/zinc/52/91/62/949529162.db2.gz HPJUUPZLWDQFQJ-CABCVRRESA-N -1 0 325.836 3.697 20 0 EHADRM CCC[C@@H](C(=O)NC[C@@H](C(=O)[O-])C(C)C)c1cccc(Cl)c1 ZINC001589630541 949529671 /nfs/dbraw/zinc/52/96/71/949529671.db2.gz HPJUUPZLWDQFQJ-HUUCEWRRSA-N -1 0 325.836 3.697 20 0 EHADRM O=C([O-])c1cccc(NCc2cccc(COCc3ccco3)c2)n1 ZINC001595251586 949560536 /nfs/dbraw/zinc/56/05/36/949560536.db2.gz LZFRGFUTAMHCBR-UHFFFAOYSA-N -1 0 338.363 3.702 20 0 EHADRM CCC[C@H](NC(=O)Nc1ccnc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC001589634280 949589080 /nfs/dbraw/zinc/58/90/80/949589080.db2.gz NPENAAOZDCRRGL-AWEZNQCLSA-N -1 0 349.337 3.721 20 0 EHADRM CCC[C@H]1CCC[C@H]1C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001589637570 949630418 /nfs/dbraw/zinc/63/04/18/949630418.db2.gz KRIHFZUQTXOCPG-WDEREUQCSA-N -1 0 337.441 3.674 20 0 EHADRM O=C([O-])c1cccnc1NC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC001595260517 949657243 /nfs/dbraw/zinc/65/72/43/949657243.db2.gz IMRZKZMTPSLGFZ-IAGOWNOFSA-N -1 0 332.359 3.675 20 0 EHADRM CCCCN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[C@H](C)c1ccc(C)o1 ZINC001589648303 949761227 /nfs/dbraw/zinc/76/12/27/949761227.db2.gz UXYCXOHFCCJYKG-KFWWJZLASA-N -1 0 336.432 3.714 20 0 EHADRM CCCCOc1ccc(-c2nnc(CSCCC(=O)[O-])o2)cc1 ZINC001589652969 949792305 /nfs/dbraw/zinc/79/23/05/949792305.db2.gz OQPUOGVCONMSOD-UHFFFAOYSA-N -1 0 336.413 3.623 20 0 EHADRM CCCCOc1ccc(-c2csc(NC(=O)[C@@H](C)C(=O)[O-])n2)cc1 ZINC001589652999 949792655 /nfs/dbraw/zinc/79/26/55/949792655.db2.gz PTGJULKWJXMXFE-LLVKDONJSA-N -1 0 348.424 3.648 20 0 EHADRM CCCCOc1ccccc1NC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC001589654361 949804746 /nfs/dbraw/zinc/80/47/46/949804746.db2.gz DJSIBXMSLQPJDX-KBPBESRZSA-N -1 0 334.416 3.583 20 0 EHADRM CCc1cccc2c(CC(=O)N3CCCC[C@H]3CCC(=O)[O-])c[nH]c21 ZINC000236999971 949948279 /nfs/dbraw/zinc/94/82/79/949948279.db2.gz USZKZJBNDKOYMH-INIZCTEOSA-N -1 0 342.439 3.519 20 0 EHADRM O=C([O-])CCCNC(=O)c1ccccc1OCc1ccccc1Cl ZINC000237981784 949987174 /nfs/dbraw/zinc/98/71/74/949987174.db2.gz ZXYHRUOOCOSKDK-UHFFFAOYSA-N -1 0 347.798 3.514 20 0 EHADRM C[C@H](NC(=O)NCCCCCC(=O)[O-])c1ccc2c(c1)CCCC2 ZINC000243895493 950001899 /nfs/dbraw/zinc/00/18/99/950001899.db2.gz RRKCWATUIAHLMX-AWEZNQCLSA-N -1 0 332.444 3.571 20 0 EHADRM CCCOc1ccc(CNC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)c(C)c1 ZINC001589680021 950034583 /nfs/dbraw/zinc/03/45/83/950034583.db2.gz PVRDWKFWKGWFDA-UHFFFAOYSA-N -1 0 347.455 3.537 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000262331892 950108768 /nfs/dbraw/zinc/10/87/68/950108768.db2.gz BCCFLRPZWBAZDE-ZDUSSCGKSA-N -1 0 329.371 3.660 20 0 EHADRM O=Cc1ccc(Br)cc1OCc1cccc(C(=O)[O-])c1 ZINC001595295554 950125665 /nfs/dbraw/zinc/12/56/65/950125665.db2.gz SPFBKFMOLOYTAK-UHFFFAOYSA-N -1 0 335.153 3.539 20 0 EHADRM C[C@@H]1CN(C(=O)CSc2ccc3ccccc3c2)CC[C@H]1C(=O)[O-] ZINC000262906199 950186257 /nfs/dbraw/zinc/18/62/57/950186257.db2.gz IKKMIMMMFBNQTR-CXAGYDPISA-N -1 0 343.448 3.501 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)C(=O)[O-] ZINC000263037781 950228398 /nfs/dbraw/zinc/22/83/98/950228398.db2.gz DIGYBYIHWFGSSF-ZDUSSCGKSA-N -1 0 349.475 3.525 20 0 EHADRM O=C([O-])CC[C@@H]1CCC[N@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000263165217 950305559 /nfs/dbraw/zinc/30/55/59/950305559.db2.gz RDAZNTXPRJLZTR-AWEZNQCLSA-N -1 0 347.846 3.603 20 0 EHADRM Cc1cccc(-c2ccc(CNC(=O)N(C)C[C@@H](C)C(=O)[O-])cc2)c1 ZINC000263212747 950327491 /nfs/dbraw/zinc/32/74/91/950327491.db2.gz JAQKJDDDPRTUJG-OAHLLOKOSA-N -1 0 340.423 3.524 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc(-c3ccc(F)cc3)s2)C1 ZINC000263337984 950381377 /nfs/dbraw/zinc/38/13/77/950381377.db2.gz MVPZUASKPSXKBX-AAEUAGOBSA-N -1 0 347.411 3.737 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)C1 ZINC000263363103 950403134 /nfs/dbraw/zinc/40/31/34/950403134.db2.gz SKOIRPJEQIXSIR-WEZQJLTASA-N -1 0 337.419 3.513 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263372177 950413168 /nfs/dbraw/zinc/41/31/68/950413168.db2.gz VRRUMPSDWJAFBY-MNOVXSKESA-N -1 0 341.860 3.635 20 0 EHADRM Cc1cc(Br)c(CN2CCC[C@H](C(=O)[O-])C2)cc1Cl ZINC000263394921 950434618 /nfs/dbraw/zinc/43/46/18/950434618.db2.gz GFNUKCFDTOYEOA-JTQLQIEISA-N -1 0 346.652 3.708 20 0 EHADRM CC(C)(C)CC(=O)N1CCC(Nc2cccc(CCC(=O)[O-])c2)CC1 ZINC000263529403 950504853 /nfs/dbraw/zinc/50/48/53/950504853.db2.gz VRNPEZKNCXOIDA-UHFFFAOYSA-N -1 0 346.471 3.543 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001589736616 950543380 /nfs/dbraw/zinc/54/33/80/950543380.db2.gz GWAHXXNOQNYWJK-UHFFFAOYSA-N -1 0 339.804 3.549 20 0 EHADRM CCN(Cc1ccccc1F)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001589740539 950582274 /nfs/dbraw/zinc/58/22/74/950582274.db2.gz RLRNRKUIRMYUGI-UHFFFAOYSA-N -1 0 330.359 3.507 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCC2(CCc3ccccc3C2)CC1 ZINC001602847153 971682541 /nfs/dbraw/zinc/68/25/41/971682541.db2.gz HEVHHPIOPZDIJN-KRWDZBQOSA-N -1 0 343.467 3.531 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NC1CCC(c2ccc(F)cc2)CC1 ZINC001602852322 971689298 /nfs/dbraw/zinc/68/92/98/971689298.db2.gz LQWVQLGICFWQBB-AVVWSFFYSA-N -1 0 335.419 3.715 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)Nc2ccccc2OC(F)(F)F)co1 ZINC001594970638 950845717 /nfs/dbraw/zinc/84/57/17/950845717.db2.gz KFBJNDBQOSZUND-WAYWQWQTSA-N -1 0 341.241 3.528 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccc(F)cc1Cl)CC(=O)[O-] ZINC000316029727 950864607 /nfs/dbraw/zinc/86/46/07/950864607.db2.gz USCJTMQNDIIDHG-JTQLQIEISA-N -1 0 330.787 3.738 20 0 EHADRM CC[C@H](CNC(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)C(=O)[O-] ZINC000319278651 950953440 /nfs/dbraw/zinc/95/34/40/950953440.db2.gz MIMCJUBPOJEWII-SSDOTTSWSA-N -1 0 338.713 3.591 20 0 EHADRM CC(C)CCCCCC(=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574195019 950969910 /nfs/dbraw/zinc/96/99/10/950969910.db2.gz GBRUSBDBWGDZQF-UHFFFAOYSA-N -1 0 342.856 3.522 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2cc(Cl)cc(Cl)c2F)CCC1 ZINC001594979574 950974792 /nfs/dbraw/zinc/97/47/92/950974792.db2.gz IEUOBLNRVFTQGJ-UHFFFAOYSA-N -1 0 335.162 3.651 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Nc1nc2ccccc2s1 ZINC000320457398 950990577 /nfs/dbraw/zinc/99/05/77/950990577.db2.gz YUAHOAIIPMMBSM-NSHDSACASA-N -1 0 333.413 3.548 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)Cc1cccc(Cl)c1 ZINC000320602913 950995401 /nfs/dbraw/zinc/99/54/01/950995401.db2.gz DQPHSDSKTGJNRB-UHFFFAOYSA-N -1 0 329.783 3.560 20 0 EHADRM CC(C)C[C@@H](CNC(=O)c1cc(Cl)nc(C(C)(C)C)c1)C(=O)[O-] ZINC000323013663 951041516 /nfs/dbraw/zinc/04/15/16/951041516.db2.gz ORGUAVFMNWRHFG-LBPRGKRZSA-N -1 0 340.851 3.509 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)c1cc(C(=O)[O-])n[nH]1)c1ccc(Cl)cc1 ZINC001602859627 971711661 /nfs/dbraw/zinc/71/16/61/971711661.db2.gz OMNIGDFZVQYXJR-AWEZNQCLSA-N -1 0 349.818 3.669 20 0 EHADRM Cc1cccc(OCC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)c1 ZINC000323902615 951055857 /nfs/dbraw/zinc/05/58/57/951055857.db2.gz PYUNYYIZGHWAPW-UHFFFAOYSA-N -1 0 345.420 3.651 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000325652916 951089425 /nfs/dbraw/zinc/08/94/25/951089425.db2.gz YYNRQKPJFRNPHY-QGZVFWFLSA-N -1 0 327.380 3.566 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2csc3ccccc23)Cc2ccccc21 ZINC000325788144 951091831 /nfs/dbraw/zinc/09/18/31/951091831.db2.gz MJIJMWBLCFETSM-HNNXBMFYSA-N -1 0 337.400 3.726 20 0 EHADRM COc1cc(C)ccc1Oc1ccc(NC(=O)CCC(=O)[O-])cc1F ZINC000338188223 951131886 /nfs/dbraw/zinc/13/18/86/951131886.db2.gz KPMAQLMSLVXOJT-UHFFFAOYSA-N -1 0 347.342 3.738 20 0 EHADRM CC[C@@H](NC(=O)c1cccc(OCC(=O)[O-])c1)c1cccc(Cl)c1 ZINC000345777434 951133848 /nfs/dbraw/zinc/13/38/48/951133848.db2.gz LLJGVDDHQBGINL-MRXNPFEDSA-N -1 0 347.798 3.685 20 0 EHADRM Cc1[nH]c2ccc(C(=O)N3Cc4ccccc4[C@@H](C(=O)[O-])C3)cc2c1C ZINC000347380039 951134046 /nfs/dbraw/zinc/13/40/46/951134046.db2.gz VCSCHVZJDLYGJJ-SFHVURJKSA-N -1 0 348.402 3.609 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc3sccc3c2)Cc2ccccc21 ZINC000347385545 951134140 /nfs/dbraw/zinc/13/41/40/951134140.db2.gz ZTOZCHNBGJMBJE-MRXNPFEDSA-N -1 0 337.400 3.726 20 0 EHADRM O=C([O-])CC[C@H]1Cc2ccccc2N(C[C@@H]2CCC3(CCC3)O2)C1 ZINC001595024732 951333532 /nfs/dbraw/zinc/33/35/32/951333532.db2.gz KIAAIIGJVXXXCC-RDJZCZTQSA-N -1 0 329.440 3.632 20 0 EHADRM O=C([O-])CCCC(=O)N(Cc1cccnc1)c1ccc(Cl)cc1 ZINC001595024848 951334149 /nfs/dbraw/zinc/33/41/49/951334149.db2.gz OPWWIMUANUOVOQ-UHFFFAOYSA-N -1 0 332.787 3.523 20 0 EHADRM O=C([O-])CCCNC(=O)Nc1nc(C2CCCCCC2)cs1 ZINC001595049943 951464864 /nfs/dbraw/zinc/46/48/64/951464864.db2.gz MUWSQEKEVHOHGI-UHFFFAOYSA-N -1 0 325.434 3.567 20 0 EHADRM C[C@@H](NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)[C@H]1CC2CCC1CC2 ZINC000381735817 971773469 /nfs/dbraw/zinc/77/34/69/971773469.db2.gz TXQMABGPUHHKAW-WBTBYHMDSA-N -1 0 344.455 3.741 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)C[C@H]2OCc3cc(Cl)ccc32)c1 ZINC001595129880 952027318 /nfs/dbraw/zinc/02/73/18/952027318.db2.gz DKEVNLNOKUIHEQ-MRXNPFEDSA-N -1 0 345.782 3.567 20 0 EHADRM O=C([O-])Cc1noc(-c2[nH]ccc2-c2c(Cl)cccc2Cl)n1 ZINC001595137670 952064276 /nfs/dbraw/zinc/06/42/76/952064276.db2.gz HRSGPWWDVSGVTJ-UHFFFAOYSA-N -1 0 338.150 3.666 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)C1(Sc2ccccc2)CC1 ZINC001595138498 952068909 /nfs/dbraw/zinc/06/89/09/952068909.db2.gz QUTVQWBMGGNFNG-UHFFFAOYSA-N -1 0 327.405 3.577 20 0 EHADRM O=C([O-])Cn1cc(NCc2c(Cl)ccc(Cl)c2Cl)cn1 ZINC001595147468 952119407 /nfs/dbraw/zinc/11/94/07/952119407.db2.gz DEWNZVZCXHTFOT-UHFFFAOYSA-N -1 0 334.590 3.540 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)[C@H]1CC2CCC1CC2 ZINC000382256039 971805547 /nfs/dbraw/zinc/80/55/47/971805547.db2.gz XNRXGBCPJQKUFS-DLOFLVKXSA-N -1 0 334.391 3.860 20 0 EHADRM O=C([O-])[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1 ZINC001595167399 952210932 /nfs/dbraw/zinc/21/09/32/952210932.db2.gz YBVNIGBFEIKKRH-INIZCTEOSA-N -1 0 344.342 3.699 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N(Cc1cccs1)c1ccc(F)cc1 ZINC001595172312 952226312 /nfs/dbraw/zinc/22/63/12/952226312.db2.gz YYLGGWKYDBALOD-LSDHHAIUSA-N -1 0 333.384 3.531 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC001595179199 952244751 /nfs/dbraw/zinc/24/47/51/952244751.db2.gz DBJZJXJZCCALRT-GPCCPHFNSA-N -1 0 342.222 3.672 20 0 EHADRM O=C([O-])c1c(-c2ccsc2)csc1NC(=O)[C@@H]1C[C@@]12CCOC2 ZINC001595207032 952334817 /nfs/dbraw/zinc/33/48/17/952334817.db2.gz RJVPNGHYDAENMZ-MEDUHNTESA-N -1 0 349.433 3.540 20 0 EHADRM O=C([O-])c1c(-c2ccsc2)csc1NC(=O)[C@H]1C[C@]12CCOC2 ZINC001595207030 952335244 /nfs/dbraw/zinc/33/52/44/952335244.db2.gz RJVPNGHYDAENMZ-BZNIZROVSA-N -1 0 349.433 3.540 20 0 EHADRM CC(C)(C)OCc1ccccc1NC(=O)NCCC(C)(C)C(=O)[O-] ZINC001602916939 971874675 /nfs/dbraw/zinc/87/46/75/971874675.db2.gz MJTVIKMHQVCUHY-UHFFFAOYSA-N -1 0 336.432 3.624 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)C1CC1 ZINC001602948363 971920560 /nfs/dbraw/zinc/92/05/60/971920560.db2.gz YUNHOQXASUDMKG-UHFFFAOYSA-N -1 0 328.771 3.735 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)C1 ZINC001589269428 953403117 /nfs/dbraw/zinc/40/31/17/953403117.db2.gz VGZWDLUZMXEFCI-PPEJIECUSA-N -1 0 329.440 3.567 20 0 EHADRM CC[C@@H](NC(=O)Nc1cc(C)ccc1OCc1ccccc1)C(=O)[O-] ZINC001593603158 953415599 /nfs/dbraw/zinc/41/55/99/953415599.db2.gz SECOABQUJOWSFX-OAHLLOKOSA-N -1 0 342.395 3.559 20 0 EHADRM CC(C)(CCNC(=O)c1cncc(-c2ccc(Cl)cc2)c1)C(=O)[O-] ZINC000424224951 953428662 /nfs/dbraw/zinc/42/86/62/953428662.db2.gz BWQBVIVUCDKWNT-UHFFFAOYSA-N -1 0 346.814 3.633 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc3cc(C(C)(C)C)ccc3[nH]2)C1 ZINC001589274260 953443809 /nfs/dbraw/zinc/44/38/09/953443809.db2.gz BRVCRPVXPRROIF-JSGCOSHPSA-N -1 0 342.439 3.648 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1cccc(C(C)(F)F)c1)C(=O)[O-] ZINC000424395336 953460228 /nfs/dbraw/zinc/46/02/28/953460228.db2.gz ZITZYVLOWKLRBW-NSHDSACASA-N -1 0 328.359 3.667 20 0 EHADRM CCSc1ccc([C@@H](C)NC(=O)NCCC(C)(C)C(=O)[O-])cc1 ZINC000424405382 953470464 /nfs/dbraw/zinc/47/04/64/953470464.db2.gz HSZQUCRSMSGAPG-GFCCVEGCSA-N -1 0 338.473 3.660 20 0 EHADRM C[C@@H]1CCCN(Cc2ccc(Sc3ccccn3)o2)[C@H]1C(=O)[O-] ZINC000424424368 953482000 /nfs/dbraw/zinc/48/20/00/953482000.db2.gz WIMDRKVHVOLZOZ-MLGOLLRUSA-N -1 0 332.425 3.511 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1ccccc1Oc1cccc(F)c1 ZINC000507399731 953533998 /nfs/dbraw/zinc/53/39/98/953533998.db2.gz FNSHZJFCKMMIQZ-UONOGXRCSA-N -1 0 329.327 3.667 20 0 EHADRM C[C@@H]1C[C@H](CCNC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)CC(C)(C)C1 ZINC001589286512 953578528 /nfs/dbraw/zinc/57/85/28/953578528.db2.gz VXFAOISLTBXGMA-WCVJEAGWSA-N -1 0 338.492 3.591 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)NCc2ccccc2F)c1Cl ZINC001594776811 953589926 /nfs/dbraw/zinc/58/99/26/953589926.db2.gz YFLGPHHAWPBEQU-UHFFFAOYSA-N -1 0 340.713 3.638 20 0 EHADRM CC(C)=CCC[C@H](C)CC(=O)N(CC(=O)[O-])c1ccc2c(c1)OCO2 ZINC001602959218 971942415 /nfs/dbraw/zinc/94/24/15/971942415.db2.gz VUZMGPYQLBJGSD-AWEZNQCLSA-N -1 0 347.411 3.606 20 0 EHADRM C[C@@H](NC(=O)C1(CC(=O)[O-])CCC1)c1ccc(-c2ccncc2)cc1 ZINC000563139938 953594831 /nfs/dbraw/zinc/59/48/31/953594831.db2.gz BXWNKPGVQKLNAW-CQSZACIVSA-N -1 0 338.407 3.571 20 0 EHADRM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC001589291561 953605073 /nfs/dbraw/zinc/60/50/73/953605073.db2.gz LGZYXVWFNQSGTB-XHDPSFHLSA-N -1 0 343.358 3.534 20 0 EHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H](C(=O)[O-])c1cccc(C)c1 ZINC001593642370 953658664 /nfs/dbraw/zinc/65/86/64/953658664.db2.gz IRZVKGACOZVOIG-OTWHNJEPSA-N -1 0 337.419 3.603 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)Nc2cc(C(=O)[O-])ccc2Br)C1 ZINC001589299855 953684799 /nfs/dbraw/zinc/68/47/99/953684799.db2.gz OFEKBERKKAHAOI-RKDXNWHRSA-N -1 0 326.190 3.522 20 0 EHADRM CC[C@@H](NC(=O)N1CCC[C@H](CC(=O)[O-])C1)C(C)(C)c1ccccc1 ZINC000575894332 953686038 /nfs/dbraw/zinc/68/60/38/953686038.db2.gz MUXXDANCJAQDDP-NVXWUHKLSA-N -1 0 346.471 3.639 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000578132131 953699228 /nfs/dbraw/zinc/69/92/28/953699228.db2.gz PDNZNAFTZNWPTH-NOZJJQNGSA-N -1 0 335.787 3.577 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCC[C@@H]2c2cccc3ccccc32)C1 ZINC001594793934 953702479 /nfs/dbraw/zinc/70/24/79/953702479.db2.gz YSERZWBVXFJBNI-RVKKMQEKSA-N -1 0 338.407 3.550 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000578914509 953705492 /nfs/dbraw/zinc/70/54/92/953705492.db2.gz FAIDRUWVXJCJOY-LLVKDONJSA-N -1 0 335.400 3.676 20 0 EHADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1ccccc1NCCC1=CCCCC1 ZINC001594795170 953710763 /nfs/dbraw/zinc/71/07/63/953710763.db2.gz WDLUAEUIBAWWJK-IYBDPMFKSA-N -1 0 342.439 3.582 20 0 EHADRM CC[C@H](NC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000582604300 953724611 /nfs/dbraw/zinc/72/46/11/953724611.db2.gz WWXDSOFKEVWTHI-GLQYFDAESA-N -1 0 338.835 3.543 20 0 EHADRM C[C@@H]1CCCN(C(=O)/C=C/c2ccc(F)c3ccccc23)[C@H]1C(=O)[O-] ZINC001589325192 953897691 /nfs/dbraw/zinc/89/76/91/953897691.db2.gz AAKGFBCICVWFMA-ZALZUOCKSA-N -1 0 341.382 3.704 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)c1cc3occc3s1)COCC2 ZINC001594821673 953905107 /nfs/dbraw/zinc/90/51/07/953905107.db2.gz MXRIWDWQXUPTMZ-UHFFFAOYSA-N -1 0 349.389 3.579 20 0 EHADRM CN(C(=O)CCCCC(=O)[O-])c1nc2c(cccc2Cl)s1 ZINC001593675475 953920951 /nfs/dbraw/zinc/92/09/51/953920951.db2.gz ABZAYQWVAIJNNG-UHFFFAOYSA-N -1 0 326.805 3.558 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1ccc(Br)c2ccccc12)C1CC1 ZINC001594835045 954019819 /nfs/dbraw/zinc/01/98/19/954019819.db2.gz BCEOOBJATCLZGM-CQSZACIVSA-N -1 0 348.196 3.652 20 0 EHADRM COc1ccccc1CC(C)(C)C(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC000652087408 954044740 /nfs/dbraw/zinc/04/47/40/954044740.db2.gz FLGRAIRGWYWKPH-HNNXBMFYSA-N -1 0 349.471 3.517 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)C[C@H]1C ZINC001589344829 954048307 /nfs/dbraw/zinc/04/83/07/954048307.db2.gz YFVCLWXIVXPSDW-DTWKUNHWSA-N -1 0 328.771 3.687 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCc3ccccc32)c2ccccc21 ZINC000653330867 954160155 /nfs/dbraw/zinc/16/01/55/954160155.db2.gz LAEBNCYESKRDRV-GUDVDZBRSA-N -1 0 335.403 3.536 20 0 EHADRM C[C@H](NC(=O)Nc1cccc(F)c1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653546123 954193931 /nfs/dbraw/zinc/19/39/31/954193931.db2.gz YSZQGFJEWPRAIK-LPEHRKFASA-N -1 0 342.798 3.736 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)CCCc2ccc(F)cc2)c2ccccc21 ZINC000655557181 954202851 /nfs/dbraw/zinc/20/28/51/954202851.db2.gz VTVSDEHQPZPQBF-ROUUACIJSA-N -1 0 341.382 3.578 20 0 EHADRM CC(C)[C@H](CNC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000655568306 954206380 /nfs/dbraw/zinc/20/63/80/954206380.db2.gz GVQGPRFDPIOXTF-AVGNSLFASA-N -1 0 344.238 3.570 20 0 EHADRM C[C@H](CC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1F ZINC000655580020 954220633 /nfs/dbraw/zinc/22/06/33/954220633.db2.gz FANYVTGRXXQIPT-PAPYEOQZSA-N -1 0 335.419 3.571 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655581165 954221447 /nfs/dbraw/zinc/22/14/47/954221447.db2.gz IWESYMADYAWDQW-FPYNETTCSA-N -1 0 349.393 3.607 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655581167 954222275 /nfs/dbraw/zinc/22/22/75/954222275.db2.gz IWESYMADYAWDQW-PJSNJIKXSA-N -1 0 349.393 3.607 20 0 EHADRM CSc1ccc(C)c(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000655583470 954224523 /nfs/dbraw/zinc/22/45/23/954224523.db2.gz YSFMYULUWCLLPG-TUKIKUTGSA-N -1 0 335.469 3.582 20 0 EHADRM Cc1cc(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c(C)n1C(C)C ZINC000655583101 954224934 /nfs/dbraw/zinc/22/49/34/954224934.db2.gz BYPJDNORNGZUKV-VBNZEHGJSA-N -1 0 334.460 3.551 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)NC[C@@H](C(=O)[O-])C(C)C)c1C ZINC000655894145 954275728 /nfs/dbraw/zinc/27/57/28/954275728.db2.gz WLYWRZPFWWKBJK-IAGOWNOFSA-N -1 0 332.444 3.507 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)NC[C@H](C(=O)[O-])C(C)C)c1C ZINC000655894144 954276561 /nfs/dbraw/zinc/27/65/61/954276561.db2.gz WLYWRZPFWWKBJK-DLBZAZTESA-N -1 0 332.444 3.507 20 0 EHADRM O=C([O-])C1(C(=O)NCCCSc2ccccc2)CCCCCC1 ZINC001594861438 954278398 /nfs/dbraw/zinc/27/83/98/954278398.db2.gz SWWXTBDQULKDEY-UHFFFAOYSA-N -1 0 335.469 3.710 20 0 EHADRM C[C@@H](NC(=O)N(C)C[C@@H](C)c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655907529 954290898 /nfs/dbraw/zinc/29/08/98/954290898.db2.gz QJUUMJKBYOJEOF-TXCZRRACSA-N -1 0 346.471 3.567 20 0 EHADRM O=C([O-])C1(CNC(=O)N2CC3(CCCC3)[C@@H]2c2ccccc2)CCC1 ZINC000659426277 954348433 /nfs/dbraw/zinc/34/84/33/954348433.db2.gz RKOWUDBBCMWSMX-INIZCTEOSA-N -1 0 342.439 3.568 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc3cccc(Cl)c3s2)CC[C@H]1C(=O)[O-] ZINC001589393477 954351855 /nfs/dbraw/zinc/35/18/55/954351855.db2.gz YYRSSOCTVLUOKT-MWLCHTKSSA-N -1 0 337.828 3.738 20 0 EHADRM O=C([O-])C1(C(=O)Oc2ccc(SC(F)(F)F)cc2)CC=CC1 ZINC001594877746 954392586 /nfs/dbraw/zinc/39/25/86/954392586.db2.gz BEIYRNRZEAWNLH-UHFFFAOYSA-N -1 0 332.299 3.625 20 0 EHADRM C[C@H]1CN(Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)c2ccccc21 ZINC001589398998 954396354 /nfs/dbraw/zinc/39/63/54/954396354.db2.gz LIXDXHJHCSHPEH-GJZGRUSLSA-N -1 0 340.423 3.704 20 0 EHADRM O=C([O-])C1(c2noc([C@H](F)c3ccc(C(F)(F)F)cc3)n2)CCC1 ZINC001594886587 954470013 /nfs/dbraw/zinc/47/00/13/954470013.db2.gz AWMYOSGCSZJTLS-SNVBAGLBSA-N -1 0 344.264 3.654 20 0 EHADRM CC(C)[C@@H](NC(=O)c1coc(/C=C\C(=O)[O-])c1)c1ccc(F)cc1 ZINC001602992456 972022460 /nfs/dbraw/zinc/02/24/60/972022460.db2.gz GCEIPDXZQHQIOV-ZPUOCTKUSA-N -1 0 331.343 3.644 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)Cc2ccc(Cl)s2)c2ccccc21 ZINC000669434068 954568718 /nfs/dbraw/zinc/56/87/18/954568718.db2.gz HVJGEEYTLDQRHH-GFCCVEGCSA-N -1 0 335.812 3.549 20 0 EHADRM CC(C)c1ccc(SCC(=O)N2CCC(C)(C(=O)[O-])CC2)cc1 ZINC000679099269 954591194 /nfs/dbraw/zinc/59/11/94/954591194.db2.gz AJCNBHOZRJOMHE-UHFFFAOYSA-N -1 0 335.469 3.615 20 0 EHADRM Cc1ccc(/C=C/CC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000685025283 954608447 /nfs/dbraw/zinc/60/84/47/954608447.db2.gz ZRCAOCXCEFWGPU-BXKJMJEDSA-N -1 0 337.419 3.557 20 0 EHADRM CC[C@H](C(=O)N[C@H]1CCC[C@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001589429778 954645393 /nfs/dbraw/zinc/64/53/93/954645393.db2.gz KPHONQMKHBIAKM-MJBXVCDLSA-N -1 0 343.345 3.569 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)Cc1coc2cc(C)c(C(C)C)cc12 ZINC001589433660 954671627 /nfs/dbraw/zinc/67/16/27/954671627.db2.gz HRQPWNNNJNTSPW-INIZCTEOSA-N -1 0 331.412 3.729 20 0 EHADRM C[C@H](CCC(C)(C)C)NC(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000386172636 972034160 /nfs/dbraw/zinc/03/41/60/972034160.db2.gz ZEACZRZJFKLSNU-CYBMUJFWSA-N -1 0 332.444 3.667 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCn2ccc3ccccc32)c2ccccc21 ZINC001594919893 954798667 /nfs/dbraw/zinc/79/86/67/954798667.db2.gz GTGKJKAXBJHGHA-QGZVFWFLSA-N -1 0 348.402 3.637 20 0 EHADRM O=C([O-])[C@@H]1CCN(Cc2cnc([C@@H]3CCCO3)s2)c2ccccc21 ZINC001594934030 954846186 /nfs/dbraw/zinc/84/61/86/954846186.db2.gz QUCXCTSBHGSPPV-ZBFHGGJFSA-N -1 0 344.436 3.573 20 0 EHADRM CC[C@H](C)[C@@H](OC)C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2 ZINC001589457897 954848056 /nfs/dbraw/zinc/84/80/56/954848056.db2.gz UIZQHQLITAIQSD-ISTVAULSSA-N -1 0 339.457 3.571 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1cc(Br)c(F)cc1C ZINC001589478125 954967710 /nfs/dbraw/zinc/96/77/10/954967710.db2.gz ZHBCESMOGBOVHJ-UHFFFAOYSA-N -1 0 346.196 3.726 20 0 EHADRM O=C([O-])c1ccc(CN2Cc3ccc(Br)cc3C2)cc1 ZINC000707898358 954977768 /nfs/dbraw/zinc/97/77/68/954977768.db2.gz GGYWVXHGVJRNGQ-UHFFFAOYSA-N -1 0 332.197 3.663 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1cccc3ccsc31)CC2 ZINC000386491005 972058560 /nfs/dbraw/zinc/05/85/60/972058560.db2.gz YOQXBHHWPUWMJX-UHFFFAOYSA-N -1 0 337.400 3.798 20 0 EHADRM O=C([O-])CCCC(=O)Nc1cccc(COCCc2ccccc2)c1 ZINC000753977003 955263165 /nfs/dbraw/zinc/26/31/65/955263165.db2.gz QNSGISJWVBINFG-UHFFFAOYSA-N -1 0 341.407 3.639 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC001589001678 955330297 /nfs/dbraw/zinc/33/02/97/955330297.db2.gz UCAFWNWHZIVGKT-NSHDSACASA-N -1 0 335.444 3.580 20 0 EHADRM CC(C)(CCNC(=O)Nc1ccc(N2CCCCCC2)cc1)C(=O)[O-] ZINC000818622513 955405697 /nfs/dbraw/zinc/40/56/97/955405697.db2.gz PMLPCRURWYTEFF-UHFFFAOYSA-N -1 0 347.459 3.689 20 0 EHADRM Cn1cc(-c2ccc(CN3CC[C@@H](C(=O)[O-])c4ccccc43)cc2)cn1 ZINC001594523839 955483454 /nfs/dbraw/zinc/48/34/54/955483454.db2.gz XUAHHYIJIBWFKK-LJQANCHMSA-N -1 0 347.418 3.666 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1ccccc1SC(F)(F)F ZINC000387080843 972102406 /nfs/dbraw/zinc/10/24/06/972102406.db2.gz SPXUKQIPQLRWRU-UHFFFAOYSA-N -1 0 335.347 3.673 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCC=C(c2ccccc2)C1)CC(=O)[O-] ZINC001603042340 972105934 /nfs/dbraw/zinc/10/59/34/972105934.db2.gz HUTKDKHCBAJEQV-INIZCTEOSA-N -1 0 344.455 3.622 20 0 EHADRM COc1cc(Cl)ccc1C(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000387154193 972107769 /nfs/dbraw/zinc/10/77/69/972107769.db2.gz PGWCOYQZSKOIGR-UHFFFAOYSA-N -1 0 339.800 3.977 20 0 EHADRM C[C@@H]1CN(c2ccc(NCc3cccc(C(=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000840994501 955581131 /nfs/dbraw/zinc/58/11/31/955581131.db2.gz YRMBCTFSACYIED-GASCZTMLSA-N -1 0 340.423 3.611 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1sc2cc(F)ccc2c1Cl ZINC000387278066 972115012 /nfs/dbraw/zinc/11/50/12/972115012.db2.gz YAYKPOGULOAMPW-HNNXBMFYSA-N -1 0 341.791 3.773 20 0 EHADRM Cn1ccc2c1cccc2NC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001594552888 955736962 /nfs/dbraw/zinc/73/69/62/955736962.db2.gz MIOFLYNBCGPNDH-DOTOQJQBSA-N -1 0 349.390 3.613 20 0 EHADRM C[C@](CNc1nc(-c2ccccc2)ns1)(C(=O)[O-])c1ccccc1 ZINC001589072300 955784545 /nfs/dbraw/zinc/78/45/45/955784545.db2.gz WASFFCCIUFIXTN-GOSISDBHSA-N -1 0 339.420 3.660 20 0 EHADRM C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc([C@@H](C)C(=O)[O-])no1 ZINC001589080851 955852908 /nfs/dbraw/zinc/85/29/08/955852908.db2.gz VXPVYPSWQOVGDW-RKDXNWHRSA-N -1 0 328.290 3.623 20 0 EHADRM C[C@@H](C(=O)[O-])c1noc(C[C@H](C)c2cccc(C(F)(F)F)c2)n1 ZINC001589084186 955889253 /nfs/dbraw/zinc/88/92/53/955889253.db2.gz XQWJWWLPNVQKNM-DTWKUNHWSA-N -1 0 328.290 3.623 20 0 EHADRM CC(C)Oc1ccccc1[C@@H](C)NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000864124710 955952120 /nfs/dbraw/zinc/95/21/20/955952120.db2.gz FZCNRVMKHCVRHI-YGNAEDSMSA-N -1 0 343.379 3.656 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2ccc(-c3ccccc3)s2)C1 ZINC000864160500 955972581 /nfs/dbraw/zinc/97/25/81/955972581.db2.gz MQAYOWWXLCWEMH-UONOGXRCSA-N -1 0 329.421 3.532 20 0 EHADRM C[C@@](NC(=O)CC[C@H]1CCc2ccccc21)(C(=O)[O-])c1ccccc1 ZINC001589094816 955977225 /nfs/dbraw/zinc/97/72/25/955977225.db2.gz AZRUXKRRZMTWCE-IERDGZPVSA-N -1 0 337.419 3.613 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cc(OC)ccc1C1CC1)C(=O)[O-] ZINC000864608582 956009351 /nfs/dbraw/zinc/00/93/51/956009351.db2.gz QWAFUULPJYUFED-UHFFFAOYSA-N -1 0 334.416 3.585 20 0 EHADRM C[C@H](NC(=O)c1[nH]c2ccccc2c1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589114513 956084064 /nfs/dbraw/zinc/08/40/64/956084064.db2.gz QZDQLQWCGYLCAK-ZMLRMANQSA-N -1 0 348.830 3.687 20 0 EHADRM CC(C)Oc1cc(O)ccc1NC(=O)Nc1ccccc1C(=O)[O-] ZINC001603080730 972153663 /nfs/dbraw/zinc/15/36/63/972153663.db2.gz ZOKZKODQBAKFED-UHFFFAOYSA-N -1 0 330.340 3.522 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)/C=C/c2cc(Cl)cc(Cl)c2)o1 ZINC000388176984 972158356 /nfs/dbraw/zinc/15/83/56/972158356.db2.gz LVKSDVANEOBLDU-DAFODLJHSA-N -1 0 340.162 3.614 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)NCc2ccccc2C(=O)[O-])c(C)s1 ZINC000874387404 956133499 /nfs/dbraw/zinc/13/34/99/956133499.db2.gz WKVPEQDMKQNHBO-LLVKDONJSA-N -1 0 332.425 3.624 20 0 EHADRM C[C@](NCc1cscc1Br)(C(=O)[O-])c1ccccc1 ZINC001589132344 956212859 /nfs/dbraw/zinc/21/28/59/956212859.db2.gz PRTFKSWZGFHJHB-CQSZACIVSA-N -1 0 340.242 3.600 20 0 EHADRM CC(C)c1cc(C(=O)NCC2(C(=O)[O-])CCC2)c(O)c(C(C)C)c1 ZINC001603099373 972171699 /nfs/dbraw/zinc/17/16/99/972171699.db2.gz AXDBWAAHONNAJL-UHFFFAOYSA-N -1 0 333.428 3.624 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2cc(C3CC3)oc2C2CC2)cc1 ZINC000899299991 956277678 /nfs/dbraw/zinc/27/76/78/956277678.db2.gz VVJYLTQTFUWPMH-UHFFFAOYSA-N -1 0 325.364 3.663 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cccc(C(F)F)c1F ZINC000901576670 956350198 /nfs/dbraw/zinc/35/01/98/956350198.db2.gz FSXMWBHIULNVAL-JTQLQIEISA-N -1 0 329.318 3.623 20 0 EHADRM O=C([O-])CC[C@H]1C[C@H](C(=O)Nc2cccc(-c3cccs3)c2)CO1 ZINC000901592885 956359743 /nfs/dbraw/zinc/35/97/43/956359743.db2.gz SEOQSUCZQNPCFE-ZFWWWQNUSA-N -1 0 345.420 3.624 20 0 EHADRM C[C@H](OC(=O)[C@@]1(C(=O)[O-])CC=CCC1)c1ccc(OC(F)F)cc1 ZINC001589158945 956389106 /nfs/dbraw/zinc/38/91/06/956389106.db2.gz PSVSROVVFWRTKF-GTNSWQLSSA-N -1 0 340.322 3.703 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)N[C@H](c2ccccc2)C2CCC2)co1 ZINC000901769497 956459550 /nfs/dbraw/zinc/45/95/50/956459550.db2.gz KSHQIGWVIBVTCW-QZEKMECESA-N -1 0 325.364 3.649 20 0 EHADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC000901795548 956472327 /nfs/dbraw/zinc/47/23/27/956472327.db2.gz RQMUOISENMDEKW-GLEZIHRCSA-N -1 0 336.800 3.513 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001589173267 956476170 /nfs/dbraw/zinc/47/61/70/956476170.db2.gz VPRBVVSLRDVFJI-SECBINFHSA-N -1 0 336.800 3.553 20 0 EHADRM Cc1cc(NC(=O)c2cc(F)c(Cl)cc2F)ccc1C(=O)[O-] ZINC000388828602 972194195 /nfs/dbraw/zinc/19/41/95/972194195.db2.gz SNKSUCWRCVCMBL-UHFFFAOYSA-N -1 0 325.698 3.877 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc3c(c2)C=CCCC3)CCSCC1 ZINC000902073462 956641912 /nfs/dbraw/zinc/64/19/12/956641912.db2.gz BRRJELUYGOUEMT-UHFFFAOYSA-N -1 0 331.437 3.573 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)Nc2ccc(F)cc2OCC2CC2)o1 ZINC001594675278 956654060 /nfs/dbraw/zinc/65/40/60/956654060.db2.gz WDDFZFPZQPDPMV-VMPITWQZSA-N -1 0 345.326 3.558 20 0 EHADRM O=C(/C=C\c1ccc(C(=O)[O-])o1)O[C@@H](c1ccccc1)c1ccccn1 ZINC001594675343 956654989 /nfs/dbraw/zinc/65/49/89/956654989.db2.gz XBBFSDFIIWSPOG-XASXRRJKSA-N -1 0 349.342 3.719 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NCc1ccc2ccccc2c1 ZINC001589205364 956661780 /nfs/dbraw/zinc/66/17/80/956661780.db2.gz IXVZRLLUVGGUDP-UHFFFAOYSA-N -1 0 325.408 3.593 20 0 EHADRM CC1(C)C[C@H](C(=O)N2CCCC[C@H]2CCC(=O)[O-])c2ccccc2O1 ZINC001589214051 956721004 /nfs/dbraw/zinc/72/10/04/956721004.db2.gz NABZJZVJNYNGMK-HOCLYGCPSA-N -1 0 345.439 3.577 20 0 EHADRM O=C([O-])c1cncc(NC(=O)CCc2ccc(Cl)c(Cl)c2)c1 ZINC001594687885 956721762 /nfs/dbraw/zinc/72/17/62/956721762.db2.gz ODTOFMDVRFVPFL-UHFFFAOYSA-N -1 0 339.178 3.658 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1ccc(Br)cc1Cl ZINC001589219671 956759571 /nfs/dbraw/zinc/75/95/71/956759571.db2.gz QCCILNAXTKCGDE-CYBMUJFWSA-N -1 0 346.608 3.542 20 0 EHADRM O=C([O-])CC[C@H]1Cc2ccccc2N(C(=O)[C@@H]2CCCC23CC3)C1 ZINC000902818839 956806842 /nfs/dbraw/zinc/80/68/42/956806842.db2.gz BVTTWMNKYQFHMG-HOCLYGCPSA-N -1 0 327.424 3.637 20 0 EHADRM CC1(C)CN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)[C@@H]2CCC[C@@H]21 ZINC001589229303 956812560 /nfs/dbraw/zinc/81/25/60/956812560.db2.gz AQFVWHNWVIIAJP-LTIDMASMSA-N -1 0 342.439 3.520 20 0 EHADRM Cc1ccc(C(=O)N2C[C@@H](CCC(=O)[O-])Cc3ccccc32)s1 ZINC000902829799 956818500 /nfs/dbraw/zinc/81/85/00/956818500.db2.gz GCEWRZQIKZYEPX-ZDUSSCGKSA-N -1 0 329.421 3.740 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)NCCCCCc1ccc(F)cc1 ZINC001594707700 956853419 /nfs/dbraw/zinc/85/34/19/956853419.db2.gz KBPYSYKLMVQTJI-UHFFFAOYSA-N -1 0 343.398 3.596 20 0 EHADRM O=C([O-])C1CCN(c2ccc(C[NH+]3CCC(C4CCC4)CC3)o2)CC1 ZINC000904251916 956942663 /nfs/dbraw/zinc/94/26/63/956942663.db2.gz RDAYAQPYTOTFJO-UHFFFAOYSA-N -1 0 346.471 3.593 20 0 EHADRM CCCc1sc(C(=O)NCc2ccc(C(=O)[O-])cc2)cc1CC ZINC000013092296 956942926 /nfs/dbraw/zinc/94/29/26/956942926.db2.gz WYNCMUGTMXLOCR-UHFFFAOYSA-N -1 0 331.437 3.891 20 0 EHADRM CCc1sc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C)cc2)cc1C ZINC000013181148 956967180 /nfs/dbraw/zinc/96/71/80/956967180.db2.gz QSEJSVKLIZHKLI-AWEZNQCLSA-N -1 0 331.437 3.873 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000013186911 956969933 /nfs/dbraw/zinc/96/99/33/956969933.db2.gz JBRGMFYOKDTSDL-FPYGCLRLSA-N -1 0 346.726 3.598 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)C(C)(C)C ZINC000908118341 956983502 /nfs/dbraw/zinc/98/35/02/956983502.db2.gz AQWCQSXEYUJUAP-PXAMLJHWSA-N -1 0 342.395 3.598 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(Cl)cc1F)c1ccc(F)cc1 ZINC000013257871 956994774 /nfs/dbraw/zinc/99/47/74/956994774.db2.gz CTXKEENZTOXWKA-CQSZACIVSA-N -1 0 339.725 3.564 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Oc1ccc(C(C)C)cc1 ZINC000013309910 957015384 /nfs/dbraw/zinc/01/53/84/957015384.db2.gz HKNHSYHRLPPULF-UHFFFAOYSA-N -1 0 334.393 3.584 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)c2ccc(F)c3occc32)c2ccccc21 ZINC001594727719 957021249 /nfs/dbraw/zinc/02/12/49/957021249.db2.gz UGHVAVAZLHDZMQ-GOEBONIOSA-N -1 0 339.322 3.615 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000013318083 957023853 /nfs/dbraw/zinc/02/38/53/957023853.db2.gz ANNUCMGLEZGOLC-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)Oc2cccc(C(=O)[O-])c2)cc1 ZINC000013341923 957028061 /nfs/dbraw/zinc/02/80/61/957028061.db2.gz LZOCOJZVCDWSLP-LBPRGKRZSA-N -1 0 334.393 3.666 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc2c(c1)CCCC2)c1cccs1 ZINC000013389747 957042344 /nfs/dbraw/zinc/04/23/44/957042344.db2.gz USXUQEAHVBWEMW-HNNXBMFYSA-N -1 0 329.421 3.573 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)c1ccc2c(c1)CCCC2 ZINC000013390596 957044996 /nfs/dbraw/zinc/04/49/96/957044996.db2.gz DWWSSEOHCKCGJJ-UHFFFAOYSA-N -1 0 335.403 3.857 20 0 EHADRM CC(C)(C)SCCCC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000910473591 957047097 /nfs/dbraw/zinc/04/70/97/957047097.db2.gz OAGNTXMARZIUET-LSDHHAIUSA-N -1 0 335.469 3.728 20 0 EHADRM O=C([O-])Cc1csc(NC(=O)c2ccc(-c3ccccc3)cc2)n1 ZINC000013405972 957051940 /nfs/dbraw/zinc/05/19/40/957051940.db2.gz SYRBEDYNXJWBMO-UHFFFAOYSA-N -1 0 338.388 3.690 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)CSCc2ccc(Cl)cc2)cc1 ZINC000013439347 957077599 /nfs/dbraw/zinc/07/75/99/957077599.db2.gz BEQOPUTVPABRLW-UHFFFAOYSA-N -1 0 349.839 3.839 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000013441649 957081922 /nfs/dbraw/zinc/08/19/22/957081922.db2.gz MWUPZHIVAUTCEF-UHFFFAOYSA-N -1 0 327.311 3.855 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)s2)C[C@H]1C(=O)[O-] ZINC001118261148 957165150 /nfs/dbraw/zinc/16/51/50/957165150.db2.gz VBTLPBQZWMOJFK-GXTWGEPZSA-N -1 0 329.421 3.598 20 0 EHADRM Cc1cccc2c1N[C@@H](c1ccc(-c3ccc(C(=O)[O-])cc3)o1)NC2=O ZINC000028923706 957166474 /nfs/dbraw/zinc/16/64/74/957166474.db2.gz NHAFEHUFADUIOA-GOSISDBHSA-N -1 0 348.358 3.807 20 0 EHADRM C[C@H](c1ccccc1)N(C)C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001121843429 957220611 /nfs/dbraw/zinc/22/06/11/957220611.db2.gz JIMLWHGBFULLOL-FSPWUOQZSA-N -1 0 338.407 3.702 20 0 EHADRM Cc1oc(CN(C)Cc2ccccc2Br)cc1C(=O)[O-] ZINC000048892610 957468943 /nfs/dbraw/zinc/46/89/43/957468943.db2.gz TYPULZUODWRWSH-UHFFFAOYSA-N -1 0 338.201 3.681 20 0 EHADRM CN(Cc1ccc(Cl)cc1Cl)C(=O)CC(C)(C)CC(=O)[O-] ZINC000061826378 957585471 /nfs/dbraw/zinc/58/54/71/957585471.db2.gz ZTWDLMZMDASBOK-UHFFFAOYSA-N -1 0 332.227 3.843 20 0 EHADRM CC(C)(CC(=O)[O-])Cc1nnc(-c2ccc(Br)cc2)o1 ZINC000061827932 957586498 /nfs/dbraw/zinc/58/64/98/957586498.db2.gz BIQHSVASGGYBPT-UHFFFAOYSA-N -1 0 339.189 3.543 20 0 EHADRM O=C([O-])c1ccc(F)c(COc2ccccc2Br)c1 ZINC000062761228 957611663 /nfs/dbraw/zinc/61/16/63/957611663.db2.gz ALHSMWUWXAPNNR-UHFFFAOYSA-N -1 0 325.133 3.865 20 0 EHADRM CCc1nc2ccc(Cl)cn2c1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000071448801 957724376 /nfs/dbraw/zinc/72/43/76/957724376.db2.gz SMTXODFFDZCCBI-UHFFFAOYSA-N -1 0 343.770 3.501 20 0 EHADRM C[C@@H](Oc1cccc(F)c1)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000390485482 972288362 /nfs/dbraw/zinc/28/83/62/972288362.db2.gz GIQHZHFCSJGUBT-SECBINFHSA-N -1 0 337.734 3.583 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc(Nc3nccs3)c2)cc1 ZINC000075306834 957743647 /nfs/dbraw/zinc/74/36/47/957743647.db2.gz QJIWKBYHAYCAMS-UHFFFAOYSA-N -1 0 339.376 3.837 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2cccc(-c3ccnc(C)n3)c2)c1 ZINC001594288764 957802440 /nfs/dbraw/zinc/80/24/40/957802440.db2.gz HYLLIDDLHWEJIF-UHFFFAOYSA-N -1 0 347.374 3.711 20 0 EHADRM CON(C(=O)c1csc(-c2ccc(Cl)cc2)c1)[C@H](C)C(=O)[O-] ZINC001594040301 957861134 /nfs/dbraw/zinc/86/11/34/957861134.db2.gz JRJMDTCUUHRYJU-SECBINFHSA-N -1 0 339.800 3.545 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CC[C@H]1c1ccc(Cl)cc1 ZINC001574810663 957875395 /nfs/dbraw/zinc/87/53/95/957875395.db2.gz KREBJRGVRQQVGO-INIZCTEOSA-N -1 0 329.783 3.554 20 0 EHADRM O=C([O-])c1cncc(NC(=O)C2(c3ccccc3)CC3(CCC3)C2)c1 ZINC001574818116 957893214 /nfs/dbraw/zinc/89/32/14/957893214.db2.gz DJOQWVLZAHVWQG-UHFFFAOYSA-N -1 0 336.391 3.620 20 0 EHADRM CON(C[C@@H]1CCC[C@H](C)C1)C(=O)C1(C(=O)[O-])CCCCCC1 ZINC001594043914 957903783 /nfs/dbraw/zinc/90/37/83/957903783.db2.gz NPLOUFSGTQVJTI-LSDHHAIUSA-N -1 0 325.449 3.628 20 0 EHADRM C[C@H](Cc1cccc(F)c1)N(C)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001603199655 972303711 /nfs/dbraw/zinc/30/37/11/972303711.db2.gz JOCSDCZFKWUHMW-CYBMUJFWSA-N -1 0 344.386 3.548 20 0 EHADRM Cc1cc(F)c(C(F)(F)F)cc1NC(=O)C1(CC(=O)[O-])CCC1 ZINC001594310671 958012675 /nfs/dbraw/zinc/01/26/75/958012675.db2.gz HWZPBXMWJSXHLW-UHFFFAOYSA-N -1 0 333.281 3.736 20 0 EHADRM Cc1cc(F)ccc1C1CCN(C(=O)[C@@]2(C(=O)[O-])CC=CCC2)CC1 ZINC001594311664 958033053 /nfs/dbraw/zinc/03/30/53/958033053.db2.gz XMHLSQODRUOHDR-HXUWFJFHSA-N -1 0 345.414 3.651 20 0 EHADRM COc1cc(Cl)c(C)cc1NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001594058801 958069783 /nfs/dbraw/zinc/06/97/83/958069783.db2.gz IUFZYZLFESCFLL-ONEGZZNKSA-N -1 0 335.743 3.600 20 0 EHADRM Cc1cc(NC(=O)N(C)C2CCC(F)(F)CC2)ccc1C(=O)[O-] ZINC001594318033 958090820 /nfs/dbraw/zinc/09/08/20/958090820.db2.gz GGDQVSJNTHXZPB-UHFFFAOYSA-N -1 0 326.343 3.735 20 0 EHADRM Cc1cc(NC(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)ccc1Cl ZINC001594319804 958116021 /nfs/dbraw/zinc/11/60/21/958116021.db2.gz QKPAXJIMQFJPED-AWEZNQCLSA-N -1 0 336.750 3.735 20 0 EHADRM Cc1cc(NC(=O)Nc2cc3c(cn2)CCCC3)ccc1C(=O)[O-] ZINC001594323594 958144423 /nfs/dbraw/zinc/14/44/23/958144423.db2.gz QBZKHHUCAZCATQ-UHFFFAOYSA-N -1 0 325.368 3.611 20 0 EHADRM C[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000391215112 972323985 /nfs/dbraw/zinc/32/39/85/972323985.db2.gz RYKRJGKXLJWRFM-RNCFNFMXSA-N -1 0 326.343 3.705 20 0 EHADRM Cc1cc(Nc2cc(Cl)nc([C@@H]3CCCO3)n2)ccc1C(=O)[O-] ZINC001594325277 958161423 /nfs/dbraw/zinc/16/14/23/958161423.db2.gz MKYDJTCZRXDXHJ-LBPRGKRZSA-N -1 0 333.775 3.732 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)N[C@@H]2CCSc3ccccc32)C1 ZINC001356547324 958175785 /nfs/dbraw/zinc/17/57/85/958175785.db2.gz FRXXJPRGRLBWMS-KDOFPFPSSA-N -1 0 348.468 3.510 20 0 EHADRM CC(C)[C@@H](CNC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC001356608569 958177306 /nfs/dbraw/zinc/17/73/06/958177306.db2.gz PJQJXGZFWIDHJT-SJLPKXTDSA-N -1 0 346.471 3.713 20 0 EHADRM Cc1cc2sc(NC(=O)c3cccc(C(=O)[O-])c3)nc2cc1F ZINC001594333108 958244675 /nfs/dbraw/zinc/24/46/75/958244675.db2.gz MLXDHLIYLBBJNM-UHFFFAOYSA-N -1 0 330.340 3.694 20 0 EHADRM O=C([O-])CC1CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000093680055 958248497 /nfs/dbraw/zinc/24/84/97/958248497.db2.gz UUGVDPFAFMMHDA-UHFFFAOYSA-N -1 0 331.199 3.712 20 0 EHADRM CC[C@](C)(NC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)[O-] ZINC000094219218 958264422 /nfs/dbraw/zinc/26/44/22/958264422.db2.gz MGLXVVIJWXBNGC-AWEZNQCLSA-N -1 0 329.780 3.677 20 0 EHADRM Cc1cc(C(=O)Nc2sccc2C(=O)[O-])nn1-c1ccc(C)cc1 ZINC001594338052 958282948 /nfs/dbraw/zinc/28/29/48/958282948.db2.gz CLWCHMYJCUCKAB-UHFFFAOYSA-N -1 0 341.392 3.501 20 0 EHADRM C[C@H](NCc1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1Cl ZINC000094759390 958305743 /nfs/dbraw/zinc/30/57/43/958305743.db2.gz YKKDYDBNZDQFBF-VIFPVBQESA-N -1 0 325.195 3.937 20 0 EHADRM COc1ccc(CCCCCC(=O)N2[C@H](C)CCC[C@@H]2C(=O)[O-])cc1 ZINC001594088235 958332256 /nfs/dbraw/zinc/33/22/56/958332256.db2.gz PVOVWFROCHGASJ-CRAIPNDOSA-N -1 0 347.455 3.652 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2cncc(C(=O)[O-])c2)o1 ZINC001594354291 958399243 /nfs/dbraw/zinc/39/92/43/958399243.db2.gz QFXYIBIJEYPPDH-ABAIWWIYSA-N -1 0 343.383 3.686 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(Cc2ccc(Br)cc2)n1 ZINC000124017586 958516072 /nfs/dbraw/zinc/51/60/72/958516072.db2.gz WOOBFPCRMSVWIS-UHFFFAOYSA-N -1 0 340.242 3.859 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)c(Cl)c1Cl ZINC001594369149 958527584 /nfs/dbraw/zinc/52/75/84/958527584.db2.gz WVHQBUGXYHTYAW-UWVGGRQHSA-N -1 0 346.210 3.510 20 0 EHADRM COc1ccc2cc(NC(=O)Cc3ccccc3C(=O)[O-])ccc2c1 ZINC001594118626 958584892 /nfs/dbraw/zinc/58/48/92/958584892.db2.gz UABIYPXWEQVAGR-UHFFFAOYSA-N -1 0 335.359 3.728 20 0 EHADRM Cc1ccc(Oc2ccc(C(=O)NC(C)(C)CCC(=O)[O-])nc2)cc1 ZINC001594376186 958591180 /nfs/dbraw/zinc/59/11/80/958591180.db2.gz ZMYMDEVEFQOMSR-UHFFFAOYSA-N -1 0 342.395 3.556 20 0 EHADRM C/C(=C/C(=O)Nc1sc2c(c1C(=O)[O-])COCC2)c1ccccc1 ZINC001588482854 958601760 /nfs/dbraw/zinc/60/17/60/958601760.db2.gz ZDHVXWZMEQDLAZ-LUAWRHEFSA-N -1 0 343.404 3.561 20 0 EHADRM Cc1ccc(NC(=O)CCOc2ccc(C)c(C)c2)c(C(=O)[O-])c1 ZINC000391728262 972362266 /nfs/dbraw/zinc/36/22/66/972362266.db2.gz ZGIJJAAMTDBAKG-UHFFFAOYSA-N -1 0 327.380 3.718 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1nc2c(cc(Cl)cc2Cl)[nH]1 ZINC001573391236 958702521 /nfs/dbraw/zinc/70/25/21/958702521.db2.gz SOGHPZMBWZZOGG-VIFPVBQESA-N -1 0 344.198 3.555 20 0 EHADRM COc1cccc2sc(NC(=O)C3(C(=O)[O-])CCCCCC3)nc21 ZINC001594136199 958709074 /nfs/dbraw/zinc/70/90/74/958709074.db2.gz JTYPQMWJUPQSMU-UHFFFAOYSA-N -1 0 348.424 3.669 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1cnc(-c2ccco2)s1 ZINC001594391103 958721032 /nfs/dbraw/zinc/72/10/32/958721032.db2.gz UFRSRICWPROPJE-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM COc1ccccc1[C@H](C)NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001594147868 958781574 /nfs/dbraw/zinc/78/15/74/958781574.db2.gz HRAFKNJMSJKPSC-ZDUSSCGKSA-N -1 0 342.395 3.595 20 0 EHADRM CC1(C)C(C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)C1(C)C ZINC000132339040 958783139 /nfs/dbraw/zinc/78/31/39/958783139.db2.gz NJFXDXNLMMHSHH-UHFFFAOYSA-N -1 0 340.217 3.768 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)/C=C\Sc1cc(F)ccc1F ZINC001573425566 958787957 /nfs/dbraw/zinc/78/79/57/958787957.db2.gz SZGGGKPGWCYHJQ-SREVYHEPSA-N -1 0 343.395 3.530 20 0 EHADRM CC(C)(C)OC(=O)N[C@H]1c2ccccc2N(CCCC(=O)[O-])C1(C)C ZINC001573447942 958847961 /nfs/dbraw/zinc/84/79/61/958847961.db2.gz QEQFKBUVNOYBDH-INIZCTEOSA-N -1 0 348.443 3.716 20 0 EHADRM Cc1cccc(C2(C(=O)N[C@H]3CCC[C@H]3C(=O)[O-])CCCCC2)c1 ZINC001594401458 958858065 /nfs/dbraw/zinc/85/80/65/958858065.db2.gz JJDCQFZMYYQBSG-SJORKVTESA-N -1 0 329.440 3.566 20 0 EHADRM CC(C)c1cccc(OCC(=O)Nc2ccc(F)cc2C(=O)[O-])c1 ZINC000391848213 972382747 /nfs/dbraw/zinc/38/27/47/972382747.db2.gz MCXHNDGNJXMHFT-UHFFFAOYSA-N -1 0 331.343 3.665 20 0 EHADRM Cc1cccc(CO[C@H](C)C(=O)Nc2c(C)cccc2C(=O)[O-])c1 ZINC001594403623 958873111 /nfs/dbraw/zinc/87/31/11/958873111.db2.gz PJRXCDABEKMRJP-CQSZACIVSA-N -1 0 327.380 3.545 20 0 EHADRM CC(C)(C)c1ccc(C(=O)Nc2nc3ccccn3c2C(=O)[O-])cc1 ZINC001573463080 958925902 /nfs/dbraw/zinc/92/59/02/958925902.db2.gz YHAJQZFRPQJTPC-UHFFFAOYSA-N -1 0 337.379 3.582 20 0 EHADRM Cc1cccc(Oc2cccc(NC(=O)c3cnc(C(=O)[O-])cn3)c2)c1 ZINC001594409775 958939026 /nfs/dbraw/zinc/93/90/26/958939026.db2.gz KTZXGRWNZRGGCH-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM Cc1cccc2c(CC(=O)N3CC[C@H](C(=O)[O-])c4ccccc43)c[nH]c21 ZINC001594411556 958952642 /nfs/dbraw/zinc/95/26/42/958952642.db2.gz XYFXUEUUJMEHRL-KRWDZBQOSA-N -1 0 348.402 3.624 20 0 EHADRM CC(C)(NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC001573483536 958981002 /nfs/dbraw/zinc/98/10/02/958981002.db2.gz YAVXAKCAUWHAAU-WDEREUQCSA-N -1 0 343.345 3.558 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)NC(=O)Nc1cccnc1C(=O)[O-] ZINC001573489240 958995018 /nfs/dbraw/zinc/99/50/18/958995018.db2.gz BSSCQVGYOFGKNE-IBGZPJMESA-N -1 0 341.411 3.559 20 0 EHADRM Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001594416051 959005634 /nfs/dbraw/zinc/00/56/34/959005634.db2.gz YEIFVJIQHLLCPX-OUCADQQQSA-N -1 0 343.345 3.606 20 0 EHADRM Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001594416052 959006428 /nfs/dbraw/zinc/00/64/28/959006428.db2.gz YEIFVJIQHLLCPX-SCRDCRAPSA-N -1 0 343.345 3.606 20 0 EHADRM Cc1nc(NCc2ccc(Br)cc2)sc1C(=O)[O-] ZINC000148128245 959007943 /nfs/dbraw/zinc/00/79/43/959007943.db2.gz MJVPSSLOFRFWJE-UHFFFAOYSA-N -1 0 327.203 3.524 20 0 EHADRM CC(C)C[C@H](C(=O)N[C@@H](C(=O)[O-])C(C)C)c1ccc(Cl)cc1 ZINC001573502035 959069298 /nfs/dbraw/zinc/06/92/98/959069298.db2.gz LFYCFKQLBJKQER-LSDHHAIUSA-N -1 0 325.836 3.695 20 0 EHADRM C[C@H](C(=O)Nc1cccnc1C(=O)[O-])c1ccccc1C(F)(F)F ZINC001588560171 959090614 /nfs/dbraw/zinc/09/06/14/959090614.db2.gz GMENUSODWFCSPO-VIFPVBQESA-N -1 0 338.285 3.541 20 0 EHADRM CCc1cccc(C)c1NC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000392064457 972404722 /nfs/dbraw/zinc/40/47/22/972404722.db2.gz XQUHLOWFNGNUSC-HNNXBMFYSA-N -1 0 332.444 3.912 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1ccccc1OCc1cccs1)C(=O)[O-] ZINC001573529043 959156298 /nfs/dbraw/zinc/15/62/98/959156298.db2.gz ITMFWRNADOFJTJ-OAHLLOKOSA-N -1 0 347.436 3.556 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)NC[C@H](C(=O)[O-])C(C)C ZINC001594189615 959160574 /nfs/dbraw/zinc/16/05/74/959160574.db2.gz JKJIXJMRGQMERW-JTQLQIEISA-N -1 0 330.837 3.540 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)CCc1nc2ccccc2s1 ZINC000392072903 972406499 /nfs/dbraw/zinc/40/64/99/972406499.db2.gz BHLPMAKIQMYHSX-UHFFFAOYSA-N -1 0 344.367 3.705 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC001573544223 959200287 /nfs/dbraw/zinc/20/02/87/959200287.db2.gz UTNDSNVELQCJKK-MPGHIAIKSA-N -1 0 331.456 3.700 20 0 EHADRM CSc1ccccc1[C@H](C)NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001594198027 959215022 /nfs/dbraw/zinc/21/50/22/959215022.db2.gz SZXYNYFCHPGAAH-TVRMLOFPSA-N -1 0 331.393 3.590 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 ZINC001588575383 959217672 /nfs/dbraw/zinc/21/76/72/959217672.db2.gz MEAWJUUOOAQDJM-NSHDSACASA-N -1 0 333.771 3.578 20 0 EHADRM O=C([O-])c1ccccc1OCCOc1c(F)c(F)c(F)c(F)c1F ZINC000392160603 972418516 /nfs/dbraw/zinc/41/85/16/972418516.db2.gz KNYBABJSUATKMP-UHFFFAOYSA-N -1 0 348.223 3.538 20 0 EHADRM CC(C)n1ncc2cc(NC(=O)C3(C(=O)[O-])C(C)(C)C3(C)C)ccc21 ZINC001573576899 959332641 /nfs/dbraw/zinc/33/26/41/959332641.db2.gz PAAIACOXUMCNTG-UHFFFAOYSA-N -1 0 343.427 3.693 20 0 EHADRM Cc1nc(C2CC2)ccc1C(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC001594450440 959366346 /nfs/dbraw/zinc/36/63/46/959366346.db2.gz NRYDFERRCMQJJJ-UHFFFAOYSA-N -1 0 336.391 3.559 20 0 EHADRM Cc1nc(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc1-c1ccccc1 ZINC001594456305 959419925 /nfs/dbraw/zinc/41/99/25/959419925.db2.gz KFZHJUQQDIBAFS-INIZCTEOSA-N -1 0 341.411 3.678 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000178158490 959427540 /nfs/dbraw/zinc/42/75/40/959427540.db2.gz YTZCHKYAFUEJNK-HNNXBMFYSA-N -1 0 325.364 3.733 20 0 EHADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1 ZINC001594227292 959432095 /nfs/dbraw/zinc/43/20/95/959432095.db2.gz AJYDCSFICPPYFY-BLVKFPJESA-N -1 0 348.418 3.644 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccccc2OC2CCCC2)C1 ZINC000179973290 959435696 /nfs/dbraw/zinc/43/56/96/959435696.db2.gz RUNPREXICRUOLH-KGLIPLIRSA-N -1 0 331.412 3.838 20 0 EHADRM O=C([O-])c1coc(C(=O)Nc2ccccc2SC(F)(F)F)c1 ZINC000183806311 959451421 /nfs/dbraw/zinc/45/14/21/959451421.db2.gz SILQCSWDHJVWOV-UHFFFAOYSA-N -1 0 331.271 3.842 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)C(C1CCC1)C1CCC1 ZINC000392247095 972433149 /nfs/dbraw/zinc/43/31/49/972433149.db2.gz RYSWMCFASHYNHB-UHFFFAOYSA-N -1 0 327.424 3.880 20 0 EHADRM C[C@@H](NC(=O)NCC(C)(C)C1CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001573620949 959510272 /nfs/dbraw/zinc/51/02/72/959510272.db2.gz SGSNIBXJFZXJAJ-VHDGCEQUSA-N -1 0 338.492 3.637 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1-c1ccccn1 ZINC000190599280 959513756 /nfs/dbraw/zinc/51/37/56/959513756.db2.gz JRMBLPFGOUKTDU-UHFFFAOYSA-N -1 0 348.358 3.708 20 0 EHADRM Cc1ccc([C@H]2CSCCN2C(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000190646910 959516124 /nfs/dbraw/zinc/51/61/24/959516124.db2.gz DKRDJZABDASEDP-OAHLLOKOSA-N -1 0 335.469 3.503 20 0 EHADRM COc1cc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)ccc1Cl ZINC000190763993 959520026 /nfs/dbraw/zinc/52/00/26/959520026.db2.gz XYJXCLGUVQRPCB-HNNXBMFYSA-N -1 0 347.798 3.685 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2Cc1ccc(-n2ccnc2)cc1 ZINC000392266824 972436177 /nfs/dbraw/zinc/43/61/77/972436177.db2.gz HYRFLBWUAQVIEA-UHFFFAOYSA-N -1 0 333.391 3.523 20 0 EHADRM Cc1oc(CN(C)C(=O)c2cc(C)c(C)cc2Cl)cc1C(=O)[O-] ZINC000190888629 959528232 /nfs/dbraw/zinc/52/82/32/959528232.db2.gz HSUSSGODARZYEC-UHFFFAOYSA-N -1 0 335.787 3.829 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2cc(F)cc3cccnc32)c1 ZINC000191012739 959534103 /nfs/dbraw/zinc/53/41/03/959534103.db2.gz ZYVXWWCXAISJNT-UHFFFAOYSA-N -1 0 344.729 3.978 20 0 EHADRM CCCCc1ccc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])cc1 ZINC000392281157 972437534 /nfs/dbraw/zinc/43/75/34/972437534.db2.gz HVZQZMFUSZEOCF-LJQANCHMSA-N -1 0 337.419 3.853 20 0 EHADRM C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)CC(C)(C)CC(=O)[O-] ZINC000191129424 959542103 /nfs/dbraw/zinc/54/21/03/959542103.db2.gz LXZJWKUEAVCUMO-NSHDSACASA-N -1 0 345.361 3.644 20 0 EHADRM C[C@H]1CC[C@@](C)(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)C1(C)C ZINC001594245247 959558526 /nfs/dbraw/zinc/55/85/26/959558526.db2.gz HHGHUYFJUWUUJB-KPOBHBOGSA-N -1 0 331.456 3.608 20 0 EHADRM Cc1ncccc1/C=C/C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001594471419 959563878 /nfs/dbraw/zinc/56/38/78/959563878.db2.gz ZEQRIKJTVSJUOC-QPJJXVBHSA-N -1 0 334.734 3.533 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)CCCc2cccs2)cc1)C(=O)[O-] ZINC000191418587 959564290 /nfs/dbraw/zinc/56/42/90/959564290.db2.gz PDUVVWAJMBSTTL-CYBMUJFWSA-N -1 0 331.437 3.973 20 0 EHADRM COc1ccc(Cl)cc1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000191428482 959565895 /nfs/dbraw/zinc/56/58/95/959565895.db2.gz VEDPUQNFTMXFKD-NSHDSACASA-N -1 0 347.798 3.864 20 0 EHADRM Cc1cccc(CCC(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000191536375 959579888 /nfs/dbraw/zinc/57/98/88/959579888.db2.gz OFFPECSSWQGWFW-IBGZPJMESA-N -1 0 339.435 3.520 20 0 EHADRM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1cc(C(=O)[O-])co1 ZINC000191648284 959587054 /nfs/dbraw/zinc/58/70/54/959587054.db2.gz ZIQHMNBWNWEBGX-JTQLQIEISA-N -1 0 336.413 3.699 20 0 EHADRM CC[C@@H](C(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccc(OC)cc1 ZINC000192889620 959594190 /nfs/dbraw/zinc/59/41/90/959594190.db2.gz NGEAWTKWWNGPGO-GOSISDBHSA-N -1 0 341.407 3.845 20 0 EHADRM COc1cccc(Cl)c1CC(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000192891488 959594921 /nfs/dbraw/zinc/59/49/21/959594921.db2.gz MQHLKULUWCVLKP-UHFFFAOYSA-N -1 0 333.771 3.536 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001573641028 959610530 /nfs/dbraw/zinc/61/05/30/959610530.db2.gz AOXBIHLYVAVVJR-KPXOXKRLSA-N -1 0 330.211 3.624 20 0 EHADRM Cc1c(Br)cccc1CC(=O)Nc1ccccc1C(=O)[O-] ZINC001594252011 959617850 /nfs/dbraw/zinc/61/78/50/959617850.db2.gz FFZNTCSDOBAUAJ-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCC(=Cc2cccc(F)c2)CC1 ZINC001588632201 959620291 /nfs/dbraw/zinc/62/02/91/959620291.db2.gz RQGUMYPWMSQDTB-MRXNPFEDSA-N -1 0 333.403 3.578 20 0 EHADRM Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001594481066 959632915 /nfs/dbraw/zinc/63/29/15/959632915.db2.gz XTOYNOQXIZYVLR-CYBMUJFWSA-N -1 0 349.475 3.549 20 0 EHADRM Cc1c(C(=O)N2CCCc3cc(C(=O)[O-])ccc32)ccn1C(C)C ZINC001594256532 959650532 /nfs/dbraw/zinc/65/05/32/959650532.db2.gz LKYRDWYZKUFODY-UHFFFAOYSA-N -1 0 326.396 3.669 20 0 EHADRM CC1(C)C2CCC1(C(=O)N[C@H]1C[C@H](C(=O)[O-])c3ccccc31)CC2 ZINC001573655886 959671547 /nfs/dbraw/zinc/67/15/47/959671547.db2.gz MEIFPXFQFBFSOO-KWIAUKSCSA-N -1 0 327.424 3.632 20 0 EHADRM CC1(C)C2CCC1(C(=O)N[C@@H]1C[C@H](C(=O)[O-])c3ccccc31)CC2 ZINC001573655887 959671819 /nfs/dbraw/zinc/67/18/19/959671819.db2.gz MEIFPXFQFBFSOO-YELNBYNCSA-N -1 0 327.424 3.632 20 0 EHADRM CC1(C)CN(C(=O)NCc2cccc(C(=O)[O-])c2)[C@H]1c1ccccc1 ZINC001573676426 959728488 /nfs/dbraw/zinc/72/84/88/959728488.db2.gz XXYQWVFCGOXCMD-KRWDZBQOSA-N -1 0 338.407 3.678 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12)C(=O)[O-] ZINC001588645363 959729483 /nfs/dbraw/zinc/72/94/83/959729483.db2.gz MOYIAVMIOUPFHL-ARLBYUKCSA-N -1 0 349.858 3.621 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)C1(Cc2ccccc2F)CC1)C(=O)[O-] ZINC001588645963 959737195 /nfs/dbraw/zinc/73/71/95/959737195.db2.gz SURKEVAHPZHJLF-HNNXBMFYSA-N -1 0 335.419 3.544 20 0 EHADRM Cc1c(NCC(C)(C)C)cccc1C(=O)NC1(C(=O)[O-])CCCC1 ZINC001594266142 959738396 /nfs/dbraw/zinc/73/83/96/959738396.db2.gz BVXZWWVUJIPGPJ-UHFFFAOYSA-N -1 0 332.444 3.580 20 0 EHADRM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N([C@H](C)C(=O)[O-])C1CC1 ZINC001594266054 959738471 /nfs/dbraw/zinc/73/84/71/959738471.db2.gz ABPLRNVYYAZTCN-UONOGXRCSA-N -1 0 332.444 3.529 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)C[C@H](c1ccc(O)cc1)C1CC1)C(=O)[O-] ZINC001588646811 959742628 /nfs/dbraw/zinc/74/26/28/959742628.db2.gz ZICGRJHIMXNAQZ-IRXDYDNUSA-N -1 0 347.455 3.672 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)Nc1cccc(C(F)(F)F)n1)C(=O)[O-] ZINC001588650933 959766181 /nfs/dbraw/zinc/76/61/81/959766181.db2.gz RZYPGMATHVVXNM-SECBINFHSA-N -1 0 347.337 3.501 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)CCSc1ccccc1F)C(=O)[O-] ZINC001588651125 959767718 /nfs/dbraw/zinc/76/77/18/959767718.db2.gz WSGCLEWPMZYPCO-CYBMUJFWSA-N -1 0 341.448 3.704 20 0 EHADRM C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001573698007 959798242 /nfs/dbraw/zinc/79/82/42/959798242.db2.gz DMUSBUVSRYAOKQ-BBRMVZONSA-N -1 0 332.444 3.741 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OCc1ccc(C#N)cc1Cl ZINC000392397940 972480278 /nfs/dbraw/zinc/48/02/78/972480278.db2.gz OUOMCAGWARLOTB-DAXSKMNVSA-N -1 0 343.766 3.897 20 0 EHADRM COc1ccc(Br)cc1NCc1cc(C)c(C(=O)[O-])o1 ZINC000234823529 960371930 /nfs/dbraw/zinc/37/19/30/960371930.db2.gz OAQXJMKKJVBEGA-UHFFFAOYSA-N -1 0 340.173 3.669 20 0 EHADRM C[C@H]1CCN(C(=O)C(C)(C)c2cccc3ccccc32)C[C@H]1C(=O)[O-] ZINC001573725692 960402412 /nfs/dbraw/zinc/40/24/12/960402412.db2.gz GYBGHQTXIUXVPT-WMLDXEAASA-N -1 0 339.435 3.687 20 0 EHADRM CC(C)(C)CN(CC(=O)OC(C)(C)C)Cc1ccc(C(=O)[O-])s1 ZINC001588657351 960417187 /nfs/dbraw/zinc/41/71/87/960417187.db2.gz YPKDYNCBJRZUDA-UHFFFAOYSA-N -1 0 341.473 3.636 20 0 EHADRM C[C@@H](NC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)c1cccc2ccccc21 ZINC001573735109 960428313 /nfs/dbraw/zinc/42/83/13/960428313.db2.gz AKEJEEALYHPDID-LBTNJELSSA-N -1 0 340.423 3.653 20 0 EHADRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)C(c1ccccc1)c1ccccc1 ZINC001123397197 960479716 /nfs/dbraw/zinc/47/97/16/960479716.db2.gz FADVRLDWNCCAGK-ZWKOTPCHSA-N -1 0 337.419 3.578 20 0 EHADRM Cc1cc(Br)cc(C)c1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000235732533 960483624 /nfs/dbraw/zinc/48/36/24/960483624.db2.gz XTUAEQJWVOFKEL-WDEREUQCSA-N -1 0 340.217 3.505 20 0 EHADRM CSc1cc(C(=O)N2CCCc3cc(C(=O)[O-])ccc32)c(C)o1 ZINC001574256802 960532963 /nfs/dbraw/zinc/53/29/63/960532963.db2.gz BACXSNISINDUDO-UHFFFAOYSA-N -1 0 331.393 3.601 20 0 EHADRM C[C@@H](NC(=O)Nc1ccccc1Oc1ccc(Cl)cc1)C(=O)[O-] ZINC001574261143 960568172 /nfs/dbraw/zinc/56/81/72/960568172.db2.gz FSYTXXLXHNPZHG-SNVBAGLBSA-N -1 0 334.759 3.727 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)C(F)(F)c1ccc(C(C)(C)C)cc1 ZINC001574268303 960604174 /nfs/dbraw/zinc/60/41/74/960604174.db2.gz KYIPESJWVDWEON-BXUZGUMPSA-N -1 0 339.382 3.540 20 0 EHADRM C[C@H](NC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)C1CCCCCC1 ZINC001574288306 960667384 /nfs/dbraw/zinc/66/73/84/960667384.db2.gz ODBKCFGWPZUTHY-MGPUTAFESA-N -1 0 346.471 3.687 20 0 EHADRM CC(C)(C)OC(=O)N1CCC(Nc2cccc(CCC(=O)[O-])c2)CC1 ZINC001588687992 960685261 /nfs/dbraw/zinc/68/52/61/960685261.db2.gz XQJATGVNQTUGOJ-UHFFFAOYSA-N -1 0 348.443 3.515 20 0 EHADRM Cc1c2cccc(Cl)c2[nH]c1C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC001574296448 960696960 /nfs/dbraw/zinc/69/69/60/960696960.db2.gz LDSBFIYZDZWUJV-NSHDSACASA-N -1 0 336.819 3.606 20 0 EHADRM Cc1c2occ(CC(=O)Nc3ccnc(C(=O)[O-])c3)c2ccc1Cl ZINC001574297866 960704091 /nfs/dbraw/zinc/70/40/91/960704091.db2.gz KUQOBBHEFYADME-UHFFFAOYSA-N -1 0 344.754 3.669 20 0 EHADRM O=C([O-])c1cccc2c1CCN(c1ccc([N+](=O)[O-])cc1C(F)F)C2 ZINC000392810163 972526439 /nfs/dbraw/zinc/52/64/39/972526439.db2.gz FHHVMSRSTSUQGU-UHFFFAOYSA-N -1 0 348.305 3.793 20 0 EHADRM CCC(CC)(CNC(=O)NCC1(c2ccccc2)CCCC1)C(=O)[O-] ZINC001573783882 960724419 /nfs/dbraw/zinc/72/44/19/960724419.db2.gz LYSDFMIIYRPAPH-UHFFFAOYSA-N -1 0 346.471 3.689 20 0 EHADRM CCC(CC)[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1cccs1 ZINC000236702310 960736130 /nfs/dbraw/zinc/73/61/30/960736130.db2.gz VPROLMLILAFQMO-HNNXBMFYSA-N -1 0 332.425 3.749 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC000236827363 960767701 /nfs/dbraw/zinc/76/77/01/960767701.db2.gz PTUPNTOPMGZFNJ-ZDUSSCGKSA-N -1 0 337.485 3.836 20 0 EHADRM CCC(CC)(CNC(=O)C1(c2cccs2)CCCCC1)C(=O)[O-] ZINC000236828533 960767866 /nfs/dbraw/zinc/76/78/66/960767866.db2.gz ORLQGKCFCQPHSP-UHFFFAOYSA-N -1 0 337.485 3.957 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)c1cccc(OCc2cccs2)c1)C(=O)[O-] ZINC000236860943 960779367 /nfs/dbraw/zinc/77/93/67/960779367.db2.gz FKAQCYGLQALSEN-WBMJQRKESA-N -1 0 347.436 3.556 20 0 EHADRM CCC(CC)(CNC(=O)[C@H]1C[C@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000236871202 960785535 /nfs/dbraw/zinc/78/55/35/960785535.db2.gz IKQAWSDGXMTZMT-ROUUACIJSA-N -1 0 339.435 3.951 20 0 EHADRM CCC(CC)(CNC(=O)c1cccc(OCC=C(C)C)c1)C(=O)[O-] ZINC000236882818 960790114 /nfs/dbraw/zinc/79/01/14/960790114.db2.gz MLQSIAKESXEXKQ-UHFFFAOYSA-N -1 0 333.428 3.652 20 0 EHADRM CCCCc1ccc(CC(=O)Nc2cccc(OCC(=O)[O-])c2)cc1 ZINC000236898236 960794064 /nfs/dbraw/zinc/79/40/64/960794064.db2.gz GPKGVJPVFFADSA-UHFFFAOYSA-N -1 0 341.407 3.674 20 0 EHADRM CCCc1ccc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000236914923 960797939 /nfs/dbraw/zinc/79/79/39/960797939.db2.gz ZKEJMVFVNWVYOM-KSSFIOAISA-N -1 0 325.408 3.831 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)NCc1ccc(C(=O)[O-])c(OC)c1 ZINC000236942925 960806648 /nfs/dbraw/zinc/80/66/48/960806648.db2.gz JIROIAJSJHJLMY-OAHLLOKOSA-N -1 0 333.428 3.616 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)O[C@@H]2CCOc3c(F)cc(F)cc32)c1 ZINC001574319776 960822234 /nfs/dbraw/zinc/82/22/34/960822234.db2.gz WOCBAPDZHMXOBD-OAHLLOKOSA-N -1 0 348.301 3.652 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)c1ccc(SCc2ccccc2)cc1 ZINC000237027697 960842499 /nfs/dbraw/zinc/84/24/99/960842499.db2.gz OSCZGXUFEJVSNP-UHFFFAOYSA-N -1 0 343.448 3.916 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1sc2ccc(OC)cc2c1C ZINC000237056838 960857037 /nfs/dbraw/zinc/85/70/37/960857037.db2.gz LGXLSYHHZJZERU-KRWDZBQOSA-N -1 0 335.425 3.592 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)CCCCOc1cc(C)ccc1C ZINC000237091157 960868127 /nfs/dbraw/zinc/86/81/27/960868127.db2.gz YVJDRFFGALOYNE-LJQANCHMSA-N -1 0 335.444 3.612 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001573809567 960871112 /nfs/dbraw/zinc/87/11/12/960871112.db2.gz OXIHRHVCULWBGP-QGZVFWFLSA-N -1 0 325.408 3.578 20 0 EHADRM CN(CC(=O)[O-])C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1 ZINC000237159807 960878695 /nfs/dbraw/zinc/87/86/95/960878695.db2.gz VZTWACKQYFLOFI-VQHVLOKHSA-N -1 0 335.812 3.625 20 0 EHADRM COc1ccc([C@@H](NC(=O)c2ccc(C(=O)[O-])s2)C(C)C)cc1 ZINC000237218940 960890237 /nfs/dbraw/zinc/89/02/37/960890237.db2.gz WHPXWLLXBSAFBR-HNNXBMFYSA-N -1 0 333.409 3.582 20 0 EHADRM COc1ccc([C@H](NC(=O)c2ccc(C(=O)[O-])s2)C(C)C)cc1 ZINC000237269613 960898684 /nfs/dbraw/zinc/89/86/84/960898684.db2.gz WHPXWLLXBSAFBR-OAHLLOKOSA-N -1 0 333.409 3.582 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)NCc1ccc(Cl)cc1)C(=O)[O-] ZINC000237377663 960922750 /nfs/dbraw/zinc/92/27/50/960922750.db2.gz NPJLFEBANXBPDI-LLVKDONJSA-N -1 0 349.839 3.835 20 0 EHADRM Cc1cc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])sc1C ZINC000237405149 960928074 /nfs/dbraw/zinc/92/80/74/960928074.db2.gz IOSLRBVYXBLCHH-CYBMUJFWSA-N -1 0 331.437 3.728 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)ccc1C(C)C ZINC001574343235 960947962 /nfs/dbraw/zinc/94/79/62/960947962.db2.gz KHBVYTWKLZGVHZ-XHSDSOJGSA-N -1 0 347.455 3.597 20 0 EHADRM Cc1cc2c(CC(=O)Nc3ccc(C(=O)[O-])cn3)csc2s1 ZINC001574344297 960958913 /nfs/dbraw/zinc/95/89/13/960958913.db2.gz GVZSQJMDOMJEKC-UHFFFAOYSA-N -1 0 332.406 3.546 20 0 EHADRM C[C@H](Cc1cccs1)NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000237578725 960965787 /nfs/dbraw/zinc/96/57/87/960965787.db2.gz LXALWQZHOQISIV-NEPJUHHUSA-N -1 0 349.477 3.674 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC001319965782 960968742 /nfs/dbraw/zinc/96/87/42/960968742.db2.gz ZAMRXRNYBBYZGO-UHFFFAOYSA-N -1 0 348.358 3.505 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccc(Cl)cc1Cl ZINC000237598376 960969765 /nfs/dbraw/zinc/96/97/65/960969765.db2.gz UHCJHAREDPHBKM-QMMMGPOBSA-N -1 0 339.178 3.578 20 0 EHADRM C[C@H]1CCc2c(C(=O)N[C@H](CC(=O)[O-])c3cccs3)csc2C1 ZINC000237614696 960974010 /nfs/dbraw/zinc/97/40/10/960974010.db2.gz OCRAXJWCBNIJPG-GXFFZTMASA-N -1 0 349.477 3.880 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000237619600 960977347 /nfs/dbraw/zinc/97/73/47/960977347.db2.gz BJGSZHQSQXMUEM-IWCQGFGOSA-N -1 0 347.480 3.553 20 0 EHADRM Cc1ccc(-c2nc(NC(=O)[C@]3(C(=O)[O-])C[C@H]3C)sc2C)s1 ZINC001574350522 960983275 /nfs/dbraw/zinc/98/32/75/960983275.db2.gz POOFDKZIKNQDMH-MLXNANBUSA-N -1 0 336.438 3.538 20 0 EHADRM CC[C@H]1CCc2c(sc(NC(=O)c3cccnc3)c2C(=O)[O-])C1 ZINC001573829605 961002526 /nfs/dbraw/zinc/00/25/26/961002526.db2.gz CFEGNSWWJWKNAV-JTQLQIEISA-N -1 0 330.409 3.609 20 0 EHADRM Cc1cc(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])c(C)n1C1CCCCC1 ZINC000237775503 961021912 /nfs/dbraw/zinc/02/19/12/961021912.db2.gz NEMJFMXAGPKQKA-WBVHZDCISA-N -1 0 332.444 3.593 20 0 EHADRM Cc1ccc(SCCC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC000237865436 961035921 /nfs/dbraw/zinc/03/59/21/961035921.db2.gz RECYIMZSHPENHZ-XIRDDKMYSA-N -1 0 347.480 3.722 20 0 EHADRM Cc1c(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cnn1C1CCCC1 ZINC001324625069 961038844 /nfs/dbraw/zinc/03/88/44/961038844.db2.gz QAGDUJKWMDAUMJ-UHFFFAOYSA-N -1 0 341.411 3.874 20 0 EHADRM Cc1ccc2cc(C(=O)Nc3ccc(OCC(=O)[O-])cc3C)[nH]c2c1 ZINC000237894160 961039501 /nfs/dbraw/zinc/03/95/01/961039501.db2.gz COKWRLBUBAZKGW-UHFFFAOYSA-N -1 0 338.363 3.500 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H]1NC(=O)c1cc(-c2ccccc2)ccc1Cl ZINC000237943356 961049383 /nfs/dbraw/zinc/04/93/83/961049383.db2.gz WQCRSCJTZWYIGI-WMLDXEAASA-N -1 0 343.810 3.990 20 0 EHADRM Cc1ccc(N(CC(C)C)C(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)c(C)c1 ZINC001574369482 961071222 /nfs/dbraw/zinc/07/12/22/961071222.db2.gz XZNJBABOFCLLAZ-SJORKVTESA-N -1 0 347.455 3.562 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2cccc(OC3CCCC3)c2)C1 ZINC000238020907 961078837 /nfs/dbraw/zinc/07/88/37/961078837.db2.gz ZYEVPGQYYZTETL-OAHLLOKOSA-N -1 0 345.439 3.725 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)s1 ZINC000238034764 961082422 /nfs/dbraw/zinc/08/24/22/961082422.db2.gz XIBTVMCOCPLDEX-CQSZACIVSA-N -1 0 335.812 3.981 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2Cc2ccccc2)cn1 ZINC000238043106 961085415 /nfs/dbraw/zinc/08/54/15/961085415.db2.gz DZVYNOFCDXDLFC-UHFFFAOYSA-N -1 0 332.359 3.623 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)cc1 ZINC000238071018 961091291 /nfs/dbraw/zinc/09/12/91/961091291.db2.gz MPLSBJQVGDCWBN-DLBZAZTESA-N -1 0 343.810 3.643 20 0 EHADRM O=C(CC(c1ccccc1)c1ccccc1)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000238125096 961111657 /nfs/dbraw/zinc/11/16/57/961111657.db2.gz CCIAFFODMLBIIC-PKOBYXMFSA-N -1 0 337.419 3.578 20 0 EHADRM O=C([O-])c1cc(CN2CCO[C@H](c3ccc(Cl)s3)C2)cs1 ZINC001326812886 961129738 /nfs/dbraw/zinc/12/97/38/961129738.db2.gz RTNXSTCQDJIISO-JTQLQIEISA-N -1 0 343.857 3.735 20 0 EHADRM O=C([O-])CCCCCNC(=O)[C@H](Oc1ccccc1)c1ccccc1 ZINC000238151590 961131686 /nfs/dbraw/zinc/13/16/86/961131686.db2.gz SCXJQUNTYVQQMX-LJQANCHMSA-N -1 0 341.407 3.568 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cccs1 ZINC000238173925 961145567 /nfs/dbraw/zinc/14/55/67/961145567.db2.gz ZWGNDIYXRSDYCJ-GFCCVEGCSA-N -1 0 348.811 3.829 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)c2cc(Cl)ccc2F)cc1 ZINC000238202776 961157353 /nfs/dbraw/zinc/15/73/53/961157353.db2.gz CWZJTVNKFNRGHY-UHFFFAOYSA-N -1 0 337.734 3.585 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)Cc1coc(-c2ccccc2)n1 ZINC001574389537 961159255 /nfs/dbraw/zinc/15/92/55/961159255.db2.gz OTJWBEMYDXJYCV-UHFFFAOYSA-N -1 0 336.347 3.529 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCN(C(=O)[C@]1(C(=O)[O-])CC=CCC1)C2 ZINC001588741439 961171358 /nfs/dbraw/zinc/17/13/58/961171358.db2.gz DKYLGCHXZUWQIF-NRFANRHFSA-N -1 0 341.451 3.680 20 0 EHADRM CCc1ccc([C@@H](C)NC(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000243264510 961178815 /nfs/dbraw/zinc/17/88/15/961178815.db2.gz KUZNALKODYNAJY-CYBMUJFWSA-N -1 0 326.396 3.759 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2cscc2C(F)(F)F)C(=O)[O-])c1 ZINC001574392598 961193398 /nfs/dbraw/zinc/19/33/98/961193398.db2.gz WSUUWDVOOBRRRY-LBPRGKRZSA-N -1 0 343.326 3.631 20 0 EHADRM COc1ccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1C(=O)[O-] ZINC000248848227 961198345 /nfs/dbraw/zinc/19/83/45/961198345.db2.gz BEAKGIYVJVELTC-OWCLPIDISA-N -1 0 345.439 3.616 20 0 EHADRM Cc1cccc(NCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)c1F ZINC001574397205 961214046 /nfs/dbraw/zinc/21/40/46/961214046.db2.gz KLINTMYWWIPRRQ-ZDUSSCGKSA-N -1 0 332.375 3.640 20 0 EHADRM Cc1nc(-c2ccccc2C)sc1C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001574402306 961240455 /nfs/dbraw/zinc/24/04/55/961240455.db2.gz XDGYATGIJHDHFY-AWEZNQCLSA-N -1 0 346.452 3.656 20 0 EHADRM Cc1nc2scc(-c3ccccc3)c2c(N(C)CCC(=O)[O-])n1 ZINC001574421231 961344862 /nfs/dbraw/zinc/34/48/62/961344862.db2.gz FIEOZEFGXQQBEW-UHFFFAOYSA-N -1 0 327.409 3.578 20 0 EHADRM Cc1nc2c(Cl)cccc2cc1C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC001574424547 961362677 /nfs/dbraw/zinc/36/26/77/961362677.db2.gz ZWUHZADQXFZOKE-CYBMUJFWSA-N -1 0 348.830 3.673 20 0 EHADRM O=C([O-])CCCCC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000261539174 961379277 /nfs/dbraw/zinc/37/92/77/961379277.db2.gz YVTSCJAWNXWYAE-UHFFFAOYSA-N -1 0 339.435 3.903 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccccc1 ZINC000261674517 961386984 /nfs/dbraw/zinc/38/69/84/961386984.db2.gz MBXADKKKSSOLGW-OWLYRPNTSA-N -1 0 329.440 3.578 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(C)c2)c(C)n1C1CC1 ZINC001331827376 961395571 /nfs/dbraw/zinc/39/55/71/961395571.db2.gz PZLUSYYUYVITDI-SFHVURJKSA-N -1 0 340.423 3.694 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)C[C@H]2CCCc3ccccc32)Cc2ccccc21 ZINC000262062522 961424321 /nfs/dbraw/zinc/42/43/21/961424321.db2.gz BWOPODGTEWRSNS-UZLBHIALSA-N -1 0 349.430 3.707 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)NCc1cccc(Oc2ccccc2F)c1 ZINC001588808114 961493231 /nfs/dbraw/zinc/49/32/31/961493231.db2.gz RGTSDJVEKNCSBT-QGZVFWFLSA-N -1 0 345.370 3.591 20 0 EHADRM O=C([O-])c1cc(NC(=O)CC2(C(F)(F)F)CC2)cc2[nH]ccc21 ZINC001332180553 961516509 /nfs/dbraw/zinc/51/65/09/961516509.db2.gz VFCITSVVBFHEPI-UHFFFAOYSA-N -1 0 326.274 3.537 20 0 EHADRM CCOc1ccc(C[C@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC001573919748 961519644 /nfs/dbraw/zinc/51/96/44/961519644.db2.gz IRDWPNDPMISHSK-LBPRGKRZSA-N -1 0 345.370 3.740 20 0 EHADRM Cn1cc(CCC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c2ccccc21 ZINC001574457497 961524660 /nfs/dbraw/zinc/52/46/60/961524660.db2.gz DBLWEWDUWVBIBZ-MRXNPFEDSA-N -1 0 344.455 3.507 20 0 EHADRM CCOc1ccc(Cl)c(NC(=O)Cc2ccccc2C(=O)[O-])c1 ZINC001573919965 961524793 /nfs/dbraw/zinc/52/47/93/961524793.db2.gz OICYZZPTGNPSFS-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM C[C@@H](CC(=O)N[C@H](CC1CC1)C(=O)[O-])c1ccccc1C(F)(F)F ZINC000262186313 961532934 /nfs/dbraw/zinc/53/29/34/961532934.db2.gz HGMJYHDJWQZETL-IINYFYTJSA-N -1 0 343.345 3.569 20 0 EHADRM CC[C@@](C)(NC(=O)c1ccc(C2SCCCS2)cc1)C(=O)[O-] ZINC000262220869 961564957 /nfs/dbraw/zinc/56/49/57/961564957.db2.gz VJLQVXWRVDOFRL-MRXNPFEDSA-N -1 0 339.482 3.538 20 0 EHADRM Cc1cc(C)cc(C2(C(=O)N3CCc4ccc(C(=O)[O-])cc4C3)CC2)c1 ZINC000262253938 961594659 /nfs/dbraw/zinc/59/46/59/961594659.db2.gz VWAIGEFVNQWKIE-UHFFFAOYSA-N -1 0 349.430 3.618 20 0 EHADRM Cc1oc(CN2CCO[C@@H](c3ccc(Cl)s3)C2)cc1C(=O)[O-] ZINC001332643228 961617385 /nfs/dbraw/zinc/61/73/85/961617385.db2.gz NJOUYWIPHHYNEG-GFCCVEGCSA-N -1 0 341.816 3.575 20 0 EHADRM CC(C)[C@H](CNC(=O)N1CCC[C@H]1CCCc1ccccc1)C(=O)[O-] ZINC001588822229 961635767 /nfs/dbraw/zinc/63/57/67/961635767.db2.gz GFNWVDGIVDSWEG-MSOLQXFVSA-N -1 0 346.471 3.540 20 0 EHADRM CCOCCC1(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)CCCC1 ZINC000262472724 961740886 /nfs/dbraw/zinc/74/08/86/961740886.db2.gz HAECZLRPPAOKCN-UHFFFAOYSA-N -1 0 333.428 3.927 20 0 EHADRM CN(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC001573979286 961750438 /nfs/dbraw/zinc/75/04/38/961750438.db2.gz DFKJFRVDDUXXLM-VSZNYVQBSA-N -1 0 344.455 3.608 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)cc1 ZINC001334136186 961761140 /nfs/dbraw/zinc/76/11/40/961761140.db2.gz ALOGDRRXUAMYBG-UHFFFAOYSA-N -1 0 341.754 3.681 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@@H]2C[C@]23CCc2ccccc23)c1 ZINC000262568375 961773812 /nfs/dbraw/zinc/77/38/12/961773812.db2.gz YKEWKKRJWUSNNB-RXVVDRJESA-N -1 0 335.403 3.546 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C1 ZINC000262741435 961841462 /nfs/dbraw/zinc/84/14/62/961841462.db2.gz WOHOXVIEYHKTEE-QBPKDAKJSA-N -1 0 329.440 3.590 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000262746433 961844967 /nfs/dbraw/zinc/84/49/67/961844967.db2.gz HTRDPDPXTNJEAY-LLVKDONJSA-N -1 0 331.334 3.507 20 0 EHADRM COc1ccc(N(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)[C@@H](C)C2CC2)cc1 ZINC000262755763 961851484 /nfs/dbraw/zinc/85/14/84/961851484.db2.gz YXZSNJBVSWTQRJ-BPUTZDHNSA-N -1 0 345.439 3.718 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3CC[C@H](Cc4ccccc4)C3)(CC1)CC2 ZINC001334961553 961861432 /nfs/dbraw/zinc/86/14/32/961861432.db2.gz DRUOJHLJIQKJGN-MDMXATFFSA-N -1 0 341.451 3.503 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000262810054 961879071 /nfs/dbraw/zinc/87/90/71/961879071.db2.gz DHQMPCLRTSELRW-BHIYHBOVSA-N -1 0 343.467 3.920 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)cc1 ZINC000262821212 961888325 /nfs/dbraw/zinc/88/83/25/961888325.db2.gz AVIIRUPILGCVLY-CIISACIHSA-N -1 0 345.345 3.895 20 0 EHADRM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C1 ZINC000262827729 961893531 /nfs/dbraw/zinc/89/35/31/961893531.db2.gz QSWACRQFGIFCGJ-WSMBLCCSSA-N -1 0 333.403 3.626 20 0 EHADRM C[C@H](CC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000262871351 961941661 /nfs/dbraw/zinc/94/16/61/961941661.db2.gz BAAQWJYZKRQVOA-GYSYKLTISA-N -1 0 343.345 3.521 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2c(s1)CCCCC2)c1ccc(F)cc1 ZINC001574547186 961952229 /nfs/dbraw/zinc/95/22/29/961952229.db2.gz HIRVZOIHWGZSTR-MRXNPFEDSA-N -1 0 347.411 3.712 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccc(F)cc1 ZINC000262883118 961958311 /nfs/dbraw/zinc/95/83/11/961958311.db2.gz KSTULWIFYUNKGP-ZDRJDWQYSA-N -1 0 347.430 3.717 20 0 EHADRM CC(C)C[C@@H](CNC(=O)c1c(Cl)cc(F)cc1Cl)C(=O)[O-] ZINC001588854698 961964975 /nfs/dbraw/zinc/96/49/75/961964975.db2.gz KHZNUKOMQDOTKD-QMMMGPOBSA-N -1 0 336.190 3.609 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)[C@@H](C(=O)[O-])C1 ZINC000262896235 961970331 /nfs/dbraw/zinc/97/03/31/961970331.db2.gz DHWOLQXYKKCQHL-QPUJVOFHSA-N -1 0 349.736 3.684 20 0 EHADRM Cc1oc(CNC(=O)C(C)(C)c2cccc(Cl)c2)cc1C(=O)[O-] ZINC000262924760 962007257 /nfs/dbraw/zinc/00/72/57/962007257.db2.gz FJLBWCGLYWLPOH-UHFFFAOYSA-N -1 0 335.787 3.534 20 0 EHADRM Cc1oc(CNC(=O)Cc2coc3cc(C)c(C)cc23)cc1C(=O)[O-] ZINC000262938069 962022274 /nfs/dbraw/zinc/02/22/74/962022274.db2.gz HEVGMUQCDCWCAO-UHFFFAOYSA-N -1 0 341.363 3.508 20 0 EHADRM C[C@@H](C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccc(Cl)s1 ZINC000262944245 962029966 /nfs/dbraw/zinc/02/99/66/962029966.db2.gz LVYDULGYOIPRQL-ZWNOBZJWSA-N -1 0 349.839 3.716 20 0 EHADRM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)C1CCC(c2ccccc2)CC1 ZINC000262947896 962031975 /nfs/dbraw/zinc/03/19/75/962031975.db2.gz LCGJDDQDFCAEHI-LKIAZTKLSA-N -1 0 341.451 3.672 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000262962288 962048389 /nfs/dbraw/zinc/04/83/89/962048389.db2.gz JETMOFRYFSXLNY-AWEZNQCLSA-N -1 0 349.736 3.686 20 0 EHADRM CC(C)c1cc(Br)ccc1NC(=O)NCCCC(=O)[O-] ZINC000262989534 962081637 /nfs/dbraw/zinc/08/16/37/962081637.db2.gz DHEWHMXEEGHVFN-UHFFFAOYSA-N -1 0 343.221 3.559 20 0 EHADRM CC(C)c1cccc(-c2ccc(C(=O)N3CC[C@@H](C(=O)[O-])C3)o2)c1 ZINC000263031247 962144897 /nfs/dbraw/zinc/14/48/97/962144897.db2.gz ZLIUMPAGWHJMJB-OAHLLOKOSA-N -1 0 327.380 3.617 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N(Cc2ccccc2)C2CCCCC2)C1 ZINC000263042548 962168766 /nfs/dbraw/zinc/16/87/66/962168766.db2.gz DDVBMXVHSFDRAS-DLBZAZTESA-N -1 0 329.440 3.849 20 0 EHADRM C[C@H](CCC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-])c1ccccc1 ZINC000263046600 962176035 /nfs/dbraw/zinc/17/60/35/962176035.db2.gz FCRZKAXCYFLFPB-QRWLVFNGSA-N -1 0 337.419 3.781 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC001574607962 962181554 /nfs/dbraw/zinc/18/15/54/962181554.db2.gz ZNSIALJEHUZSJI-HNNXBMFYSA-N -1 0 343.358 3.582 20 0 EHADRM CCCCC[C@@H](C)CC(=O)N1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001344539794 962192028 /nfs/dbraw/zinc/19/20/28/962192028.db2.gz AYHQATCAWLIIGM-CYBMUJFWSA-N -1 0 336.432 3.685 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CC[C@@H](c2ccccc2)[C@H]1C)CC(=O)[O-] ZINC001588890827 962205008 /nfs/dbraw/zinc/20/50/08/962205008.db2.gz ZPMIIRXMXASLCB-SOLBZPMBSA-N -1 0 346.471 3.711 20 0 EHADRM O=C([O-])c1cccnc1NC(=O)c1ccc(C(F)(F)F)cc1Cl ZINC001574614278 962207958 /nfs/dbraw/zinc/20/79/58/962207958.db2.gz MFEAAJMETPDJCT-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000263069805 962210770 /nfs/dbraw/zinc/21/07/70/962210770.db2.gz UBZILNNYTAAFBK-CMPLNLGQSA-N -1 0 341.860 3.635 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2ccc(C(C)(C)C)cn2)cc1 ZINC000263076803 962219864 /nfs/dbraw/zinc/21/98/64/962219864.db2.gz AYSKLLNHODNYNV-GFCCVEGCSA-N -1 0 326.396 3.820 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccc2c(c1)CC(C)(C)O2)CC(=O)[O-] ZINC001588894389 962223253 /nfs/dbraw/zinc/22/32/53/962223253.db2.gz PRQQSPBVTWWWTJ-ZDUSSCGKSA-N -1 0 348.443 3.659 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)CCCCc2cccc(O)c2)c1 ZINC001345119523 962232691 /nfs/dbraw/zinc/23/26/91/962232691.db2.gz BQUJIPWVVOUMRG-CQSZACIVSA-N -1 0 341.407 3.932 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1nc2c(s1)CCCCCC2)C1CCCC1 ZINC001574621340 962251799 /nfs/dbraw/zinc/25/17/99/962251799.db2.gz OTQSNLOHBHQRKK-CQSZACIVSA-N -1 0 336.457 3.632 20 0 EHADRM CC[C@H](C)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000263109957 962261905 /nfs/dbraw/zinc/26/19/05/962261905.db2.gz JMXQXQOJTQFNGK-GWCFXTLKSA-N -1 0 347.333 3.653 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC001588906231 962279056 /nfs/dbraw/zinc/27/90/56/962279056.db2.gz RYRHNQNDQZYZSE-RDJZCZTQSA-N -1 0 331.456 3.702 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 ZINC000263181324 962337090 /nfs/dbraw/zinc/33/70/90/962337090.db2.gz RLWJEQYUJHBXQA-CQSZACIVSA-N -1 0 349.324 3.675 20 0 EHADRM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)o1 ZINC000263184544 962340445 /nfs/dbraw/zinc/34/04/45/962340445.db2.gz HSTYLSNZRKAUIR-KNCOVGOOSA-N -1 0 333.428 3.643 20 0 EHADRM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)o1 ZINC000263184542 962340960 /nfs/dbraw/zinc/34/09/60/962340960.db2.gz HSTYLSNZRKAUIR-FQLMCAECSA-N -1 0 333.428 3.643 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)CCCOc2ccccc2F)cc1 ZINC000263191808 962348402 /nfs/dbraw/zinc/34/84/02/962348402.db2.gz IQHYKCOPDVRLRH-CYBMUJFWSA-N -1 0 345.370 3.812 20 0 EHADRM C[C@@H](NC(=O)c1ccc(/C=C/C(=O)[O-])o1)c1nc(C(C)(C)C)cs1 ZINC001347048172 962376593 /nfs/dbraw/zinc/37/65/93/962376593.db2.gz CFCLOUISVOEUKL-QEHWCHDUSA-N -1 0 348.424 3.622 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2cnn(C3CCCCC3)c2)CCCCC1 ZINC001347323710 962385656 /nfs/dbraw/zinc/38/56/56/962385656.db2.gz SYHMRKAGOWOKHL-UHFFFAOYSA-N -1 0 347.459 3.543 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000263245661 962389128 /nfs/dbraw/zinc/38/91/28/962389128.db2.gz SEHPRJPMBNTCHT-QGZVFWFLSA-N -1 0 345.370 3.557 20 0 EHADRM Cc1ccc(C2=CCN(C(=O)c3ccccc3CCC(=O)[O-])CC2)cc1 ZINC001347535537 962393633 /nfs/dbraw/zinc/39/36/33/962393633.db2.gz PFJKQDGQKJNGFD-UHFFFAOYSA-N -1 0 349.430 3.942 20 0 EHADRM COc1ccc2c(c1)C[C@H](C(C)C)CN2C(=O)CCCCC(=O)[O-] ZINC000263279744 962418031 /nfs/dbraw/zinc/41/80/31/962418031.db2.gz XEJZYKUAESCVOA-HNNXBMFYSA-N -1 0 333.428 3.502 20 0 EHADRM Cc1cc(SC(C)(C)C)ccc1NC(=O)c1cnc(C(=O)[O-])cn1 ZINC000263290198 962430036 /nfs/dbraw/zinc/43/00/36/962430036.db2.gz QTTAXQOELKBPCS-UHFFFAOYSA-N -1 0 345.424 3.626 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000263302728 962444257 /nfs/dbraw/zinc/44/42/57/962444257.db2.gz UZBBNJXRQWGJHI-UHFFFAOYSA-N -1 0 341.860 3.779 20 0 EHADRM CCCCOc1ccccc1NC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000263324251 962467358 /nfs/dbraw/zinc/46/73/58/962467358.db2.gz JTMLNMGXIXDNCT-UHFFFAOYSA-N -1 0 327.380 3.745 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)NCC2CCCCCCC2)Cc2ccccc21 ZINC001574657810 962475906 /nfs/dbraw/zinc/47/59/06/962475906.db2.gz HCVBGFCMXBBPCW-SFHVURJKSA-N -1 0 344.455 3.741 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 ZINC000263344066 962497412 /nfs/dbraw/zinc/49/74/12/962497412.db2.gz SUVIKIKZIOMHEG-SFHVURJKSA-N -1 0 347.798 3.927 20 0 EHADRM CCCC[C@@H](C(=O)N1CCC(c2cc(C(=O)[O-])on2)CC1)C(C)C ZINC001349954836 962506925 /nfs/dbraw/zinc/50/69/25/962506925.db2.gz UZHSZOMNTUCRJT-CQSZACIVSA-N -1 0 336.432 3.541 20 0 EHADRM CC(C)c1[nH]ccc1C(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001349965814 962512186 /nfs/dbraw/zinc/51/21/86/962512186.db2.gz QAXITMRKIPIPAD-UHFFFAOYSA-N -1 0 340.379 3.555 20 0 EHADRM CCO[C@H](C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC000263357332 962514369 /nfs/dbraw/zinc/51/43/69/962514369.db2.gz XISIMOIVGYKIMF-DYVFJYSZSA-N -1 0 327.380 3.591 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001588940252 962519852 /nfs/dbraw/zinc/51/98/52/962519852.db2.gz JFETUSQHUNLNOR-MRXNPFEDSA-N -1 0 346.358 3.560 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N(C2CC2)[C@H]2CCCc3ccccc32)C1 ZINC000263363650 962522191 /nfs/dbraw/zinc/52/21/91/962522191.db2.gz ZCXDBLPFVQKUHH-DAYGRLMNSA-N -1 0 327.424 3.556 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)CCCCc1ccccc1 ZINC001574668607 962533486 /nfs/dbraw/zinc/53/34/86/962533486.db2.gz BVTPGZBHXWNDQJ-FQEVSTJZSA-N -1 0 337.419 3.610 20 0 EHADRM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)c2cc(C(=O)[O-])ccn2)cc1 ZINC000263378237 962534451 /nfs/dbraw/zinc/53/44/51/962534451.db2.gz BXNGYELCGXHUAO-KDOFPFPSSA-N -1 0 338.407 3.702 20 0 EHADRM O=C([O-])[C@H]1CCCN1c1nc(C2CC2)nc2sc3c(c21)CCCC3 ZINC000263392051 962552833 /nfs/dbraw/zinc/55/28/33/962552833.db2.gz GMPBOORZCJUOOF-GFCCVEGCSA-N -1 0 343.452 3.501 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N[C@H](C)CC(C)(C)c1ccccc1 ZINC000263399732 962561526 /nfs/dbraw/zinc/56/15/26/962561526.db2.gz GFMASPKUUBZXMO-CQSZACIVSA-N -1 0 343.423 3.701 20 0 EHADRM CCC(CC)(CNC(=O)c1c(C)coc1CC(=O)[O-])c1ccccc1 ZINC000263402329 962566189 /nfs/dbraw/zinc/56/61/89/962566189.db2.gz GXFRXAAXWUWECK-UHFFFAOYSA-N -1 0 343.423 3.703 20 0 EHADRM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1nc(C2CCCCC2)no1 ZINC000263419211 962589204 /nfs/dbraw/zinc/58/92/04/962589204.db2.gz OGQKHPMWAMNJCQ-LBPRGKRZSA-N -1 0 329.400 3.666 20 0 EHADRM Cc1nc(CC2CC2)sc1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000263448247 962634292 /nfs/dbraw/zinc/63/42/92/962634292.db2.gz RPIICKQNKFXALZ-UHFFFAOYSA-N -1 0 344.436 3.674 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000263457615 962645403 /nfs/dbraw/zinc/64/54/03/962645403.db2.gz UYBCWABAQKCFTL-JKSUJKDBSA-N -1 0 341.407 3.671 20 0 EHADRM O=C([O-])C1(CNC(=O)c2cc3sc4ccccc4c3s2)CC1 ZINC000263459158 962646649 /nfs/dbraw/zinc/64/66/49/962646649.db2.gz PPDBXCHUSLNFNA-UHFFFAOYSA-N -1 0 331.418 3.711 20 0 EHADRM CC(C)c1ccc([C@@H](NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C)C)cc1 ZINC001588966823 962649569 /nfs/dbraw/zinc/64/95/69/962649569.db2.gz MGFNVEOPMWNPLK-BBWFWOEESA-N -1 0 332.444 3.670 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@H]1CCc2c1cccc2Cl ZINC001574692461 962652558 /nfs/dbraw/zinc/65/25/58/962652558.db2.gz RMCCBAWJSAXRGL-WFASDCNBSA-N -1 0 335.831 3.616 20 0 EHADRM Cc1cccc(NC(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000263490950 962676383 /nfs/dbraw/zinc/67/63/83/962676383.db2.gz OSSXVPZVSMBXLY-QGZVFWFLSA-N -1 0 326.396 3.593 20 0 EHADRM CCC[C@H]1CCCCN1C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000263521175 962703846 /nfs/dbraw/zinc/70/38/46/962703846.db2.gz HHPQOVLOHIBCKN-INIZCTEOSA-N -1 0 333.428 3.562 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)s1 ZINC000263537992 962716522 /nfs/dbraw/zinc/71/65/22/962716522.db2.gz PKFNIGLXBHRHOV-KFWWJZLASA-N -1 0 341.432 3.855 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)s1 ZINC000263537993 962716604 /nfs/dbraw/zinc/71/66/04/962716604.db2.gz PKFNIGLXBHRHOV-RBSFLKMASA-N -1 0 341.432 3.855 20 0 EHADRM CC[C@H](CN(CC)C(=O)Cc1ccccc1C(=O)[O-])c1ccccc1 ZINC000263569436 962735881 /nfs/dbraw/zinc/73/58/81/962735881.db2.gz HMTMXRRERRMJGQ-MRXNPFEDSA-N -1 0 339.435 3.970 20 0 EHADRM Cn1c(C(=O)[O-])ccc1[C@@H]1CCCCN1C(=O)c1ccoc1C1CC1 ZINC001520205085 962851355 /nfs/dbraw/zinc/85/13/55/962851355.db2.gz GNAUMGDNZRCVCI-HNNXBMFYSA-N -1 0 342.395 3.561 20 0 EHADRM COc1cc(NC(=O)N2CC[C@H](CC(C)(C)C)C2)ccc1C(=O)[O-] ZINC000307834786 963232076 /nfs/dbraw/zinc/23/20/76/963232076.db2.gz SSLZPDWUBLCWDQ-GFCCVEGCSA-N -1 0 334.416 3.683 20 0 EHADRM CC(C)(CNC(=O)N1CCc2ccc(C(=O)[O-])cc2C1)C1=CCCC1 ZINC000308762542 963300127 /nfs/dbraw/zinc/30/01/27/963300127.db2.gz MAMIDSNYQDNVIH-UHFFFAOYSA-N -1 0 342.439 3.589 20 0 EHADRM C/C(=C/C(=O)[O-])COc1cc(Br)cc(C(F)(F)F)c1 ZINC000311778355 963510599 /nfs/dbraw/zinc/51/05/99/963510599.db2.gz WZSJXMCWWLPKIO-UQCOIBPSSA-N -1 0 339.107 3.878 20 0 EHADRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)[C@H](C)C(C)C ZINC000311978498 963526652 /nfs/dbraw/zinc/52/66/52/963526652.db2.gz OEOKKNOFEYOJOF-SECBINFHSA-N -1 0 328.206 3.686 20 0 EHADRM Cc1cc(C(=O)[O-])nc(Oc2ccc(Br)c(Cl)c2)n1 ZINC000313522243 963658232 /nfs/dbraw/zinc/65/82/32/963658232.db2.gz PTZHKTHXSXOGFH-UHFFFAOYSA-N -1 0 343.564 3.691 20 0 EHADRM O=C([O-])c1cnoc1COc1ccc2cc(Br)ccc2c1 ZINC000313874563 963687778 /nfs/dbraw/zinc/68/77/78/963687778.db2.gz OCKGEGFJXVZSSX-UHFFFAOYSA-N -1 0 348.152 3.868 20 0 EHADRM Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000314225375 963728555 /nfs/dbraw/zinc/72/85/55/963728555.db2.gz MXXJQJKENVVGPC-UHFFFAOYSA-N -1 0 334.378 3.724 20 0 EHADRM Cc1cc(NC(=O)COc2ccc(Cl)cc2C)sc1C(=O)[O-] ZINC000314477717 963758958 /nfs/dbraw/zinc/75/89/58/963758958.db2.gz NFVRIZBXOCTNSH-UHFFFAOYSA-N -1 0 339.800 3.734 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc(F)c(F)cc2Cl)ccc1F ZINC000314749253 963803419 /nfs/dbraw/zinc/80/34/19/963803419.db2.gz PMWUNTBQIYDUDI-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM O=C([O-])CC1(NC(=O)Cc2ccc(Cl)cc2Cl)CCCCC1 ZINC000316137063 963981381 /nfs/dbraw/zinc/98/13/81/963981381.db2.gz KFHWEGXDONXARJ-UHFFFAOYSA-N -1 0 344.238 3.830 20 0 EHADRM C[C@](NC(=O)c1cc2sccc2s1)(C(=O)[O-])c1ccccc1 ZINC000316345141 964005342 /nfs/dbraw/zinc/00/53/42/964005342.db2.gz HYWHHDIASBNXTE-MRXNPFEDSA-N -1 0 331.418 3.693 20 0 EHADRM CC(C)C[C@H](NC(=O)CCCCc1nc2ccccc2s1)C(=O)[O-] ZINC000236763524 967781081 /nfs/dbraw/zinc/78/10/81/967781081.db2.gz OVLMDCCIKGMUJH-AWEZNQCLSA-N -1 0 348.468 3.625 20 0 EHADRM Cc1ccc2c(CC(=O)NCc3ccc(C(=O)[O-])cc3)coc2c1C ZINC000237874207 967784297 /nfs/dbraw/zinc/78/42/97/967784297.db2.gz XUZXIIGVWFOQEI-UHFFFAOYSA-N -1 0 337.375 3.607 20 0 EHADRM O=C([O-])CCCNC(=O)c1ccccc1OCc1ccc(Cl)cc1 ZINC000237981596 967786059 /nfs/dbraw/zinc/78/60/59/967786059.db2.gz BUEFMDFYJUXRIK-UHFFFAOYSA-N -1 0 347.798 3.514 20 0 EHADRM CCOc1ccc(CCC(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC000262410702 967821037 /nfs/dbraw/zinc/82/10/37/967821037.db2.gz PHFIFEXVHRRUCI-UHFFFAOYSA-N -1 0 341.407 3.674 20 0 EHADRM Cc1c(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)sc2nccc(C)c12 ZINC000263420399 967891305 /nfs/dbraw/zinc/89/13/05/967891305.db2.gz LAFIIVFGFCCZKL-ZDUSSCGKSA-N -1 0 346.452 3.630 20 0 EHADRM Cc1c(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)sc2cccc(F)c12 ZINC000263533648 967899734 /nfs/dbraw/zinc/89/97/34/967899734.db2.gz XYMJHISPZDNTHF-KOLCDFICSA-N -1 0 335.400 3.674 20 0 EHADRM CCc1ccc2occ(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)c2c1 ZINC000263534476 967899815 /nfs/dbraw/zinc/89/98/15/967899815.db2.gz NXAMCMGLHXHIJK-CQSZACIVSA-N -1 0 329.396 3.712 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cc(Cl)c3ccccc3n2)ccc1O ZINC000324779579 968033416 /nfs/dbraw/zinc/03/34/16/968033416.db2.gz ZSKNFBPGBFJQQO-UHFFFAOYSA-N -1 0 342.738 3.544 20 0 EHADRM CSc1ccc(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)o1 ZINC000368923709 968059776 /nfs/dbraw/zinc/05/97/76/968059776.db2.gz BVXAOEKWJLXOHE-UHFFFAOYSA-N -1 0 345.420 3.720 20 0 EHADRM C[C@@H](CCOCc1ccccc1)NC(=O)Nc1ccccc1C(=O)[O-] ZINC000389607731 968167580 /nfs/dbraw/zinc/16/75/80/968167580.db2.gz DDJFBMYBFAUYPO-AWEZNQCLSA-N -1 0 342.395 3.502 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)/C=C\c2cc(Cl)cc(Cl)c2)C1 ZINC000398772267 968277187 /nfs/dbraw/zinc/27/71/87/968277187.db2.gz CWJBUFAKPHTLKI-UVWWULRDSA-N -1 0 342.222 3.576 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2ccccc2OC2CCCCC2)C1 ZINC000532676095 968398849 /nfs/dbraw/zinc/39/88/49/968398849.db2.gz DSQJSDLXXWINDM-HNNXBMFYSA-N -1 0 345.439 3.725 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(COc2ccccc2)cc1 ZINC000564979205 968422075 /nfs/dbraw/zinc/42/20/75/968422075.db2.gz RFKTVAORRISUHX-KRWDZBQOSA-N -1 0 327.380 3.561 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)N1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 ZINC000566071519 968426274 /nfs/dbraw/zinc/42/62/74/968426274.db2.gz PBAPIKSNCOTWLJ-SJCJKPOMSA-N -1 0 343.810 3.687 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cccc(Cl)c2Cl)C[C@@H]1C(=O)[O-] ZINC000577512674 968463213 /nfs/dbraw/zinc/46/32/13/968463213.db2.gz FAFUDDHKASHKMU-BDAKNGLRSA-N -1 0 331.199 3.568 20 0 EHADRM C[C@H](C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C)c1ccccc1C(F)(F)F ZINC000643433661 968555295 /nfs/dbraw/zinc/55/52/95/968555295.db2.gz VUOFBRZBQSWOEB-SRVKXCTJSA-N -1 0 343.345 3.521 20 0 EHADRM C[C@H](C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C)c1ccccc1C(F)(F)F ZINC000643433662 968555344 /nfs/dbraw/zinc/55/53/44/968555344.db2.gz VUOFBRZBQSWOEB-WOPDTQHZSA-N -1 0 343.345 3.521 20 0 EHADRM CCSc1cccc(F)c1NC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647703024 968579151 /nfs/dbraw/zinc/57/91/51/968579151.db2.gz JERUSQTZNAYEPP-UHFFFAOYSA-N -1 0 340.420 3.656 20 0 EHADRM C[C@@H](c1ncc(C(C)(C)C)o1)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000652470365 968634017 /nfs/dbraw/zinc/63/40/17/968634017.db2.gz VJFHHDNZTNQXHC-SWLSCSKDSA-N -1 0 328.412 3.717 20 0 EHADRM C[C@@H](NC(=O)NCC1(C(=O)[O-])CCC1)c1cc2ccccc2s1 ZINC000659400806 968732758 /nfs/dbraw/zinc/73/27/58/968732758.db2.gz AURFOFCWDZPDJU-LLVKDONJSA-N -1 0 332.425 3.516 20 0 EHADRM C[C@@H](NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c1nc(-c2ccccc2)cs1 ZINC000663084558 968792977 /nfs/dbraw/zinc/79/29/77/968792977.db2.gz WXAHTHHEKAQYGM-RISCZKNCSA-N -1 0 346.452 3.734 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC000864132127 969320357 /nfs/dbraw/zinc/32/03/57/969320357.db2.gz KXJOKMLWYDXPCN-ULQDDVLXSA-N -1 0 333.403 3.565 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000899310191 969417844 /nfs/dbraw/zinc/41/78/44/969417844.db2.gz CASOACAOARTRGL-MRXNPFEDSA-N -1 0 345.443 3.538 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC000902701907 969557635 /nfs/dbraw/zinc/55/76/35/969557635.db2.gz OBXRKQCZNROVHD-QMTHXVAHSA-N -1 0 333.281 3.699 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Nc1cccc(COC(C)(C)C)c1)C(=O)[O-] ZINC000908634059 969616555 /nfs/dbraw/zinc/61/65/55/969616555.db2.gz CYRLZGIIGLTNAC-WFASDCNBSA-N -1 0 336.432 3.623 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)NCc2ccc3sccc3c2)C1 ZINC001341256691 969749014 /nfs/dbraw/zinc/74/90/14/969749014.db2.gz KKZORAYCNQLTGR-CYBMUJFWSA-N -1 0 346.452 3.688 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1ccccc1COCc1ccccc1 ZINC001588809895 969899555 /nfs/dbraw/zinc/89/95/55/969899555.db2.gz ZZIQEPOSPZOSGH-GOSISDBHSA-N -1 0 341.407 3.699 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)CCCc2cccs2)cc1F ZINC000317596034 970372318 /nfs/dbraw/zinc/37/23/18/970372318.db2.gz HUQKOGQWZQCDMS-UHFFFAOYSA-N -1 0 325.336 3.686 20 0 EHADRM CC1(C)CCN(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CCS1 ZINC000317919610 970397143 /nfs/dbraw/zinc/39/71/43/970397143.db2.gz VPUVVUMZBOCHHS-UHFFFAOYSA-N -1 0 342.848 3.788 20 0 EHADRM CCCC[C@@H](CC)CNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000318019156 970404348 /nfs/dbraw/zinc/40/43/48/970404348.db2.gz XXUUMMURTCVGFV-LLVKDONJSA-N -1 0 347.864 3.533 20 0 EHADRM C[C@@H]1CCN(C(=O)CCSc2ccccc2Cl)[C@H](C(=O)[O-])C1 ZINC000319368395 970530771 /nfs/dbraw/zinc/53/07/71/970530771.db2.gz YKNSGEFHNKCVJQ-YPMHNXCESA-N -1 0 341.860 3.534 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2cc3c(cccc3F)s2)cc1 ZINC000320123069 970617776 /nfs/dbraw/zinc/61/77/76/970617776.db2.gz FASXXBDSMCWQNQ-UHFFFAOYSA-N -1 0 329.352 3.920 20 0 EHADRM Cc1c(NC(=O)CCOc2ccccc2Cl)cccc1C(=O)[O-] ZINC000320239576 970635614 /nfs/dbraw/zinc/63/56/14/970635614.db2.gz GKRVLSAQSJBJCD-UHFFFAOYSA-N -1 0 333.771 3.754 20 0 EHADRM O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCC(F)(F)C1 ZINC000320432488 970663766 /nfs/dbraw/zinc/66/37/66/970663766.db2.gz RULULPIJGSXBHP-SSDOTTSWSA-N -1 0 337.244 3.778 20 0 EHADRM Cc1cc(NC(=O)c2ccc(OC(F)(F)F)cc2)sc1C(=O)[O-] ZINC000320637760 970688942 /nfs/dbraw/zinc/68/89/42/970688942.db2.gz HJNXKACKIXPALW-UHFFFAOYSA-N -1 0 345.298 3.906 20 0 EHADRM CCN(Cc1cccs1)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000321196884 970751606 /nfs/dbraw/zinc/75/16/06/970751606.db2.gz VOYWAFMIFHEZCS-UHFFFAOYSA-N -1 0 340.351 3.779 20 0 EHADRM CCCc1cc(C(=O)NCCc2ccccc2C(=O)[O-])sc1C ZINC000321306064 970760336 /nfs/dbraw/zinc/76/03/36/970760336.db2.gz ARZJXQCWRVQXQN-UHFFFAOYSA-N -1 0 331.437 3.680 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C)C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001603287842 972541424 /nfs/dbraw/zinc/54/14/24/972541424.db2.gz YTAXIRHCZTZKQJ-SNVBAGLBSA-N -1 0 333.775 3.658 20 0 EHADRM O=C([O-])[C@H]1Cc2ccccc2N(C(=O)c2ccccc2C(F)(F)F)C1 ZINC000393025518 972556320 /nfs/dbraw/zinc/55/63/20/972556320.db2.gz SGIGZDSYGVVVCJ-LBPRGKRZSA-N -1 0 349.308 3.609 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)C1(Cc2cccc(F)c2)CCCCC1 ZINC001604155744 972566256 /nfs/dbraw/zinc/56/62/56/972566256.db2.gz NEBYBIVLLNGWKL-UHFFFAOYSA-N -1 0 335.419 3.642 20 0 EHADRM CC(C)c1ccccc1OCC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000393200963 972569722 /nfs/dbraw/zinc/56/97/22/972569722.db2.gz LAZCFFWSLKIHNQ-UHFFFAOYSA-N -1 0 349.333 3.804 20 0 EHADRM C[C@@H](CC1CCCCC1)NC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001604979149 972571618 /nfs/dbraw/zinc/57/16/18/972571618.db2.gz PGCJKRHTWSSLKO-YWZLYKJASA-N -1 0 346.471 3.687 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)c1 ZINC001605860627 972612122 /nfs/dbraw/zinc/61/21/22/972612122.db2.gz KFUSLEVNMSBZAD-SAZUREKKSA-N -1 0 328.343 3.592 20 0 EHADRM CC1(C)C=Cc2cccc(NC(=O)[C@]3(C(=O)[O-])CC=CCC3)c2O1 ZINC001603314819 972620595 /nfs/dbraw/zinc/62/05/95/972620595.db2.gz RGADCJRETUCWPK-IBGZPJMESA-N -1 0 327.380 3.620 20 0 EHADRM O=C([O-])c1cc(NC(=O)NC2CCC(c3ccccc3)CC2)ccn1 ZINC001605868380 972631458 /nfs/dbraw/zinc/63/14/58/972631458.db2.gz ICVLYIMTZLRIPG-UHFFFAOYSA-N -1 0 339.395 3.628 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCC(C)(C)[C@@H](c2ccccc2)C1 ZINC001603328881 972684556 /nfs/dbraw/zinc/68/45/56/972684556.db2.gz LVRLGINDIZSVNQ-FOIQADDNSA-N -1 0 329.440 3.530 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC001605077402 972714497 /nfs/dbraw/zinc/71/44/97/972714497.db2.gz VMRWTRZAGMMFEZ-OTYXRUKQSA-N -1 0 335.400 3.674 20 0 EHADRM O=C([O-])[C@@]1(C(=O)N2CCC(=Cc3cccc(F)c3)CC2)CC=CCC1 ZINC001605909508 972762616 /nfs/dbraw/zinc/76/26/16/972762616.db2.gz XDKDOBHKLLRYCF-FQEVSTJZSA-N -1 0 343.398 3.643 20 0 EHADRM C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC001603356158 972811460 /nfs/dbraw/zinc/81/14/60/972811460.db2.gz XDZFSDFBPKMZPD-JQWIXIFHSA-N -1 0 344.333 3.508 20 0 EHADRM COCc1c(Br)cccc1NCCC(C)(C)C(=O)[O-] ZINC000395619177 972814266 /nfs/dbraw/zinc/81/42/66/972814266.db2.gz UACRXFANXJKPGZ-UHFFFAOYSA-N -1 0 330.222 3.508 20 0 EHADRM Cc1cc(C)c2cc(NC(=O)[C@@H](C(=O)[O-])C3CCCC3)ccc2n1 ZINC001605153100 972843110 /nfs/dbraw/zinc/84/31/10/972843110.db2.gz WBTASTZSVMPIPT-KRWDZBQOSA-N -1 0 326.396 3.681 20 0 EHADRM Cc1cc(Cl)cnc1NCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001605172298 972877964 /nfs/dbraw/zinc/87/79/64/972877964.db2.gz AVXBJYWMCFBCBH-LBPRGKRZSA-N -1 0 349.818 3.550 20 0 EHADRM Cc1cc(Cl)cc(NC(=O)[C@H](C(=O)[O-])C(C)C)c1Br ZINC001605173817 972886350 /nfs/dbraw/zinc/88/63/50/972886350.db2.gz VAKIWKUDGFVYTN-SNVBAGLBSA-N -1 0 348.624 3.706 20 0 EHADRM C[C@H]1C[C@H](CNC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)C[C@@H](C)C1 ZINC001603375740 972927412 /nfs/dbraw/zinc/92/74/12/972927412.db2.gz DWHZCFURBXFHJU-AYMSOESYSA-N -1 0 344.455 3.671 20 0 EHADRM Cc1cc(NC(=O)Cc2ccccc2C(=O)[O-])nn1C1CCCCC1 ZINC001605200989 972929004 /nfs/dbraw/zinc/92/90/04/972929004.db2.gz UXXCVQJYGDGCNQ-UHFFFAOYSA-N -1 0 341.411 3.576 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000396641819 972929240 /nfs/dbraw/zinc/92/92/40/972929240.db2.gz QJPHNNSKEVSBDV-NWDGAFQWSA-N -1 0 342.351 3.525 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@H]2CCCc3sccc32)cc1 ZINC000396659297 972932054 /nfs/dbraw/zinc/93/20/54/972932054.db2.gz XPGDYVGDGXBGRL-NHYWBVRUSA-N -1 0 329.421 3.995 20 0 EHADRM Cc1cc(OC(=O)CCCC(=O)[O-])c(C)c(C)c1Br ZINC001605216524 972959700 /nfs/dbraw/zinc/95/97/00/972959700.db2.gz BDVXPAALXVZGCB-UHFFFAOYSA-N -1 0 329.190 3.535 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1ccc(Br)c2ccccc12 ZINC000397054844 972962144 /nfs/dbraw/zinc/96/21/44/972962144.db2.gz MFCWLBNEICMKIO-NWDGAFQWSA-N -1 0 348.196 3.652 20 0 EHADRM Cc1ccc(C(C)(C)CNC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC001605256324 973025609 /nfs/dbraw/zinc/02/56/09/973025609.db2.gz RYWLKKNTLLURKE-KRWDZBQOSA-N -1 0 346.471 3.702 20 0 EHADRM Cc1ccc(C[C@H]2CCCN(C(=O)[C@]3(C(=O)[O-])CC=CCC3)C2)cc1 ZINC001605264329 973044126 /nfs/dbraw/zinc/04/41/26/973044126.db2.gz IMLWWCVTDHBKGB-NQIIRXRSSA-N -1 0 341.451 3.587 20 0 EHADRM Cc1ccc(CN(C(=O)Nc2cc(C(=O)[O-])ccn2)C(C)C)s1 ZINC001605273299 973059812 /nfs/dbraw/zinc/05/98/12/973059812.db2.gz ZBKRIHTUIFNQBO-UHFFFAOYSA-N -1 0 333.413 3.592 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCCC2)C1 ZINC001605997360 973066782 /nfs/dbraw/zinc/06/67/82/973066782.db2.gz HVQKKNZVEBLKQA-NVXWUHKLSA-N -1 0 348.418 3.563 20 0 EHADRM C[C@@H]1CCCN(C(=O)CCCc2ccc(C3CC3)cc2)[C@H]1C(=O)[O-] ZINC001603407691 973073574 /nfs/dbraw/zinc/07/35/74/973073574.db2.gz OLFYXJFXAXMYJM-AUUYWEPGSA-N -1 0 329.440 3.598 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001605277967 973073600 /nfs/dbraw/zinc/07/36/00/973073600.db2.gz YDZMWWQNSAGMCX-HZPDHXFCSA-N -1 0 329.783 3.691 20 0 EHADRM Cc1ccc2sc(NC(=O)[C@@]3(C(=O)[O-])CC=CCC3)nc2c1C ZINC001605314832 973143663 /nfs/dbraw/zinc/14/36/63/973143663.db2.gz LOIUWLQBQCBUBG-QGZVFWFLSA-N -1 0 330.409 3.663 20 0 EHADRM C[C@@H](NC(=O)c1csc2c1CC[C@@H](C)C2)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603433289 973191466 /nfs/dbraw/zinc/19/14/66/973191466.db2.gz CTPDIUHSLDTFSC-HKCMKHECSA-N -1 0 349.496 3.738 20 0 EHADRM Cc1cccc([C@H](NC(=O)CCc2ccc(Cl)s2)C(=O)[O-])c1 ZINC001605329493 973199142 /nfs/dbraw/zinc/19/91/42/973199142.db2.gz XFVVYQZIPKTBGR-HNNXBMFYSA-N -1 0 337.828 3.585 20 0 EHADRM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001605347822 973245689 /nfs/dbraw/zinc/24/56/89/973245689.db2.gz TZBBLLQVLJDIKX-CABCVRRESA-N -1 0 329.440 3.689 20 0 EHADRM CCCc1sc(C(=O)N[C@H](C[C@@H](C)CC)C(=O)[O-])cc1CC ZINC000400741235 973310865 /nfs/dbraw/zinc/31/08/65/973310865.db2.gz SIXUGALJKBFOGJ-WCQYABFASA-N -1 0 325.474 3.882 20 0 EHADRM Cc1cnc2c(NC(=O)NCC3(C(=O)[O-])CCC3)cccc2c1Cl ZINC001605375695 973329719 /nfs/dbraw/zinc/32/97/19/973329719.db2.gz OJDBAKLFTZNKAF-UHFFFAOYSA-N -1 0 347.802 3.573 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1ccc2c(c1)ncn2-c1ccccc1 ZINC001606146057 973400920 /nfs/dbraw/zinc/40/09/20/973400920.db2.gz DSSZAGVPULVIBD-UHFFFAOYSA-N -1 0 337.379 3.609 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1ccccc1Nc1ccc(C)cc1 ZINC001603496395 973447309 /nfs/dbraw/zinc/44/73/09/973447309.db2.gz GFTSPQOXUPPQRO-KRWDZBQOSA-N -1 0 326.396 3.674 20 0 EHADRM Cc1nscc1C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001605455425 973544486 /nfs/dbraw/zinc/54/44/86/973544486.db2.gz RUJQTGYAWNOUBH-ZETCQYMHSA-N -1 0 336.438 3.588 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC001603526022 973566256 /nfs/dbraw/zinc/56/62/56/973566256.db2.gz QKEXVMDGIOMVGM-DLBZAZTESA-N -1 0 325.408 3.703 20 0 EHADRM CC[C@@H](CC(F)(F)F)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000402479177 973609725 /nfs/dbraw/zinc/60/97/25/973609725.db2.gz FGFJSNAGRNGINW-JTQLQIEISA-N -1 0 331.334 3.966 20 0 EHADRM CC[C@H](CC(F)(F)F)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000402514028 973615056 /nfs/dbraw/zinc/61/50/56/973615056.db2.gz JZFFUYSWEFFXPH-ZCFIWIBFSA-N -1 0 325.233 3.580 20 0 EHADRM CC[C@@H](CC(F)(F)F)C(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000402516150 973616948 /nfs/dbraw/zinc/61/69/48/973616948.db2.gz LDYKCJZEMFYZED-ZETCQYMHSA-N -1 0 335.347 3.852 20 0 EHADRM CC[C@H](CSc1ccccc1)NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001603575127 973718209 /nfs/dbraw/zinc/71/82/09/973718209.db2.gz GPRSRHHQMLMCOV-MYSGNRETSA-N -1 0 345.420 3.678 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)N1CCC2(CC2(F)F)CC1 ZINC000405172996 973771214 /nfs/dbraw/zinc/77/12/14/973771214.db2.gz WXCUVKCFJDIONF-UHFFFAOYSA-N -1 0 344.745 3.691 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)[C@@H](c2ccc(F)cc2)C(C)C)C1 ZINC001603594267 973820057 /nfs/dbraw/zinc/82/00/57/973820057.db2.gz SKNNTHYIQOAYMU-APWZRJJASA-N -1 0 335.419 3.669 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)N[C@H](C)c2cc(C)cc(C)c2)C1 ZINC001603600139 973831766 /nfs/dbraw/zinc/83/17/66/973831766.db2.gz GINWWBCVRFSFBE-BEFAXECRSA-N -1 0 332.444 3.651 20 0 EHADRM O=C([O-])[C@@H]1CN(c2nc3ccc(F)cc3s2)C[C@H]1c1ccccc1 ZINC001606432604 973877078 /nfs/dbraw/zinc/87/70/78/973877078.db2.gz KKNQWRKCUSNWCX-UONOGXRCSA-N -1 0 342.395 3.740 20 0 EHADRM CC[C@@]1(C)Oc2ccc(NC(=O)c3ccc(C(=O)[O-])cc3)cc2O1 ZINC001603611660 973889879 /nfs/dbraw/zinc/88/98/79/973889879.db2.gz LBMGBZLOVSBHHN-SFHVURJKSA-N -1 0 327.336 3.535 20 0 EHADRM CCC1CCC(CNC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1 ZINC001603618601 973908459 /nfs/dbraw/zinc/90/84/59/973908459.db2.gz SBAPWXYKABKWSJ-NVDSNGLKSA-N -1 0 338.492 3.637 20 0 EHADRM O=C([O-])CC1(CC(=O)N[C@H]2CCCc3c(F)cccc32)CCCC1 ZINC000414097771 973931584 /nfs/dbraw/zinc/93/15/84/973931584.db2.gz RWIWQVFPFBKGFO-INIZCTEOSA-N -1 0 333.403 3.745 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccnc3cc(Cl)ccc32)ccc1O ZINC001606465860 973934775 /nfs/dbraw/zinc/93/47/75/973934775.db2.gz KSDALIMSTCUZNI-UHFFFAOYSA-N -1 0 342.738 3.544 20 0 EHADRM O=C([O-])CCCCCNC(=O)N1CCC(CCc2ccccc2)CC1 ZINC000414621333 973942704 /nfs/dbraw/zinc/94/27/04/973942704.db2.gz FDRGJGUEAGCEFF-UHFFFAOYSA-N -1 0 346.471 3.686 20 0 EHADRM CCC[C@H](CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)OCC ZINC001603633557 973961586 /nfs/dbraw/zinc/96/15/86/973961586.db2.gz HBPAENANJYGNTH-SECBINFHSA-N -1 0 346.786 3.504 20 0 EHADRM Cc1cc(Br)c(CN[C@H](C(=O)[O-])c2ccsc2)s1 ZINC000417562459 973962152 /nfs/dbraw/zinc/96/21/52/973962152.db2.gz MMUCNKDWWARSCH-NSHDSACASA-N -1 0 346.271 3.796 20 0 EHADRM O=C([O-])CC[C@H](NCc1ncc(C(F)(F)F)s1)c1ccccc1 ZINC000417602955 973963682 /nfs/dbraw/zinc/96/36/82/973963682.db2.gz PYEDGFAQJRGYCS-NSHDSACASA-N -1 0 344.358 3.858 20 0 EHADRM CSCc1cnc(CNc2ccc(C[C@H](C)C(=O)[O-])cc2)s1 ZINC000417613937 973965805 /nfs/dbraw/zinc/96/58/05/973965805.db2.gz ULZPIDUWJNFBPG-NSHDSACASA-N -1 0 336.482 3.881 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(CCC(F)(F)F)cc2)nc1 ZINC001606501052 973989022 /nfs/dbraw/zinc/98/90/22/973989022.db2.gz XUNXVZPXOSRGPR-UHFFFAOYSA-N -1 0 338.285 3.527 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)c1ccccc1OC1CC1 ZINC001606504344 973997034 /nfs/dbraw/zinc/99/70/34/973997034.db2.gz RUPHPWGXDKSKQL-UHFFFAOYSA-N -1 0 337.375 3.519 20 0 EHADRM CCSCc1ccc(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000424384409 974024020 /nfs/dbraw/zinc/02/40/20/974024020.db2.gz FAGMJGTXLMMRFS-CQSZACIVSA-N -1 0 338.473 3.808 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2CCCC[C@H]2C)cc1 ZINC000425245581 974041011 /nfs/dbraw/zinc/04/10/11/974041011.db2.gz USDSHYMMFJSRSE-KCXAZCMYSA-N -1 0 335.469 3.867 20 0 EHADRM CCCN(Cc1ccc(C)cc1)C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001603672339 974048941 /nfs/dbraw/zinc/04/89/41/974048941.db2.gz DPOPGYHMBPFOQA-CMDGGOBGSA-N -1 0 327.380 3.738 20 0 EHADRM C[C@@H](CC1CCCCC1)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000427682767 974054272 /nfs/dbraw/zinc/05/42/72/974054272.db2.gz NPWOERHXWXUVMT-ZYSHUDEJSA-N -1 0 343.467 3.920 20 0 EHADRM O=C([O-])C1(NC(=O)/C=C/c2ccccc2C(F)(F)F)CCCCC1 ZINC001605667425 974065451 /nfs/dbraw/zinc/06/54/51/974065451.db2.gz CKIVXDSLQSWSGF-CMDGGOBGSA-N -1 0 341.329 3.622 20 0 EHADRM CC[C@H](C(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1)c1ccc(F)cc1 ZINC000431535399 974067550 /nfs/dbraw/zinc/06/75/50/974067550.db2.gz ZRPYVYALXPAGFL-ROUUACIJSA-N -1 0 343.398 3.612 20 0 EHADRM CC[C@H](C(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1)c1ccc(F)cc1 ZINC000431535400 974067686 /nfs/dbraw/zinc/06/76/86/974067686.db2.gz ZRPYVYALXPAGFL-ZWKOTPCHSA-N -1 0 343.398 3.612 20 0 EHADRM CCCOc1ccc(COC(=O)[C@H](C(=O)[O-])C2CCCC2)c(C)c1 ZINC001603680247 974071247 /nfs/dbraw/zinc/07/12/47/974071247.db2.gz FELMGCDVHHXGAY-KRWDZBQOSA-N -1 0 334.412 3.718 20 0 EHADRM O=C([O-])C1(CNC(=O)C2(Cc3ccccc3)CCC2)CCCCC1 ZINC000431860623 974077629 /nfs/dbraw/zinc/07/76/29/974077629.db2.gz WCPBBXYBNBVRCY-UHFFFAOYSA-N -1 0 329.440 3.551 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)Nc1ccc(Oc2ccncc2)cc1 ZINC000432094928 974085471 /nfs/dbraw/zinc/08/54/71/974085471.db2.gz HMTLMKRXAWOUBN-UHFFFAOYSA-N -1 0 348.358 3.753 20 0 EHADRM C[C@@]1(NC(=O)c2ccc3ccc(Cl)cc3n2)CCCC[C@@H]1C(=O)[O-] ZINC000432105045 974086331 /nfs/dbraw/zinc/08/63/31/974086331.db2.gz CMOILRFAFDDPNY-FZKQIMNGSA-N -1 0 346.814 3.652 20 0 EHADRM C[C@@]1(NC(=O)c2cccc(OC3CCCC3)c2)CCCC[C@@H]1C(=O)[O-] ZINC000432120242 974088944 /nfs/dbraw/zinc/08/89/44/974088944.db2.gz OCAATUOBZPCQLE-YLJYHZDGSA-N -1 0 345.439 3.771 20 0 EHADRM CCCc1cnc(NC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)s1 ZINC001603692902 974089515 /nfs/dbraw/zinc/08/95/15/974089515.db2.gz RVNCBKRPIYFIFV-KBPBESRZSA-N -1 0 345.424 3.530 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N2CCC[C@@H]2/C=C/c2ccccc2)c1 ZINC000432128580 974089795 /nfs/dbraw/zinc/08/97/95/974089795.db2.gz GNHLBNCGPHNWAZ-TZZQJPOUSA-N -1 0 335.403 3.632 20 0 EHADRM CC(C)Cc1ccc(CC(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000439706744 974108984 /nfs/dbraw/zinc/10/89/84/974108984.db2.gz WVKHJXKXHWTVMX-GOSISDBHSA-N -1 0 337.419 3.643 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000439893138 974111834 /nfs/dbraw/zinc/11/18/34/974111834.db2.gz JOKACZONTXIQMM-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000442757899 974120174 /nfs/dbraw/zinc/12/01/74/974120174.db2.gz YPMAJBBYZCWRKP-SNVBAGLBSA-N -1 0 332.227 3.638 20 0 EHADRM C[C@@H](C(=O)N[C@](C)(CC(=O)[O-])c1cccc(F)c1)c1ccccc1F ZINC000448988577 974129124 /nfs/dbraw/zinc/12/91/24/974129124.db2.gz DXBQCOMSWKUOGA-CWTRNNRKSA-N -1 0 347.361 3.575 20 0 EHADRM Cc1ccc(C(=O)N[C@@](C)(CC(=O)[O-])c2cccc(F)c2)cc1C ZINC000449002752 974140203 /nfs/dbraw/zinc/14/02/03/974140203.db2.gz NLKCRKBRRGSGKL-IBGZPJMESA-N -1 0 329.371 3.562 20 0 EHADRM Cc1ccccc1C[C@@H](C)N(C)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000450545680 974150176 /nfs/dbraw/zinc/15/01/76/974150176.db2.gz ZWZXZWMKVACBBR-MRXNPFEDSA-N -1 0 339.435 3.715 20 0 EHADRM CC[C@H](C(=O)N[C@@H](C)[C@@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC000455958249 974180180 /nfs/dbraw/zinc/18/01/80/974180180.db2.gz VTZMUVHEMGXACB-ZYSHUDEJSA-N -1 0 339.435 3.628 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])cc2F)[C@H]1c1cccc(F)c1 ZINC000478857691 974213518 /nfs/dbraw/zinc/21/35/18/974213518.db2.gz ULTOTVJPTRMSFO-APPDUMDISA-N -1 0 345.345 3.886 20 0 EHADRM CCC[C@H]1CCC[C@H]1C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000519427066 974329250 /nfs/dbraw/zinc/32/92/50/974329250.db2.gz XLRFOGRTNMWXMY-FUHWJXTLSA-N -1 0 347.455 3.763 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cc3cc(C(F)(F)F)ccc3s2)CC1 ZINC000519601501 974330701 /nfs/dbraw/zinc/33/07/01/974330701.db2.gz AAXOKLDVSXJNJQ-UHFFFAOYSA-N -1 0 343.326 3.657 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)NCC(C)(C)Cc1cccc(Cl)c1 ZINC000522014206 974349080 /nfs/dbraw/zinc/34/90/80/974349080.db2.gz QDRWWVHWHQQXDU-GFCCVEGCSA-N -1 0 325.836 3.526 20 0 EHADRM C[C@@H]1CCN(C(=O)CCc2ccccc2C(=O)[O-])[C@@H]2CCCC[C@H]12 ZINC000537475717 974385524 /nfs/dbraw/zinc/38/55/24/974385524.db2.gz PLIQNXVFVKNWOP-QGPMSJSTSA-N -1 0 329.440 3.745 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N2CCC[C@@H]2c2cccc(Cl)c2)c1 ZINC000539674709 974397279 /nfs/dbraw/zinc/39/72/79/974397279.db2.gz DOEYJISZBHADQC-QGZVFWFLSA-N -1 0 343.810 3.944 20 0 EHADRM O=C([O-])c1cccc(CC(=O)Nc2ccc(-c3nccs3)cc2)c1 ZINC000539675047 974397659 /nfs/dbraw/zinc/39/76/59/974397659.db2.gz MJQFPDNIEKCBTJ-UHFFFAOYSA-N -1 0 338.388 3.690 20 0 EHADRM Cc1ccc(NC(=O)[C@@H](C)SCc2ccccc2)c(C(=O)[O-])c1 ZINC000541588644 974411851 /nfs/dbraw/zinc/41/18/51/974411851.db2.gz MYCSSUGBAYCWBP-CYBMUJFWSA-N -1 0 329.421 3.954 20 0 EHADRM CC[C@@H](CC(=O)NC1(CC(=O)[O-])CCCCC1)c1ccc(OC)cc1 ZINC000559714932 974498195 /nfs/dbraw/zinc/49/81/95/974498195.db2.gz VOLBNVIPMJDRHR-HNNXBMFYSA-N -1 0 347.455 3.873 20 0 EHADRM CN(Cc1ccc(Br)s1)[C@@H](C(=O)[O-])c1ccsc1 ZINC000563280233 974526037 /nfs/dbraw/zinc/52/60/37/974526037.db2.gz MPLPECIILLKQAA-LLVKDONJSA-N -1 0 346.271 3.830 20 0 EHADRM Cc1sc2nc(C)nc(N[C@H](C)c3ncc(C(=O)[O-])s3)c2c1C ZINC000565040992 974564667 /nfs/dbraw/zinc/56/46/67/974564667.db2.gz JCKGAWLCQOMFHC-SSDOTTSWSA-N -1 0 348.453 3.944 20 0 EHADRM CSc1ccccc1[C@H](C)NC(=O)CCc1ccccc1C(=O)[O-] ZINC000565251096 974577356 /nfs/dbraw/zinc/57/73/56/974577356.db2.gz PDCHPWRBJYUBRE-ZDUSSCGKSA-N -1 0 343.448 3.917 20 0 EHADRM O=C([O-])c1sccc1CN1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000565720650 974587689 /nfs/dbraw/zinc/58/76/89/974587689.db2.gz ITTITXASFDTYPF-AWEZNQCLSA-N -1 0 337.828 3.673 20 0 EHADRM O=C([O-])c1cccc(CN2CCOC[C@@H]2c2ccccc2)c1Cl ZINC000565898388 974590444 /nfs/dbraw/zinc/59/04/44/974590444.db2.gz ISDCNLVMMIPCNU-MRXNPFEDSA-N -1 0 331.799 3.612 20 0 EHADRM Cc1sc(N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)nc1C(=O)[O-] ZINC000566298287 974605445 /nfs/dbraw/zinc/60/54/45/974605445.db2.gz SKLWOFBCBXLGCG-SECBINFHSA-N -1 0 334.363 3.709 20 0 EHADRM CC[N@H+](Cc1ccoc1C(=O)[O-])Cc1cccc(Br)c1 ZINC000568061061 974656993 /nfs/dbraw/zinc/65/69/93/974656993.db2.gz XYVSXGBIKGGBES-UHFFFAOYSA-N -1 0 338.201 3.762 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N1CCC[C@@H](c2ccccc2)C1 ZINC000568285990 974666580 /nfs/dbraw/zinc/66/65/80/974666580.db2.gz PCKDMXXXEDAQFI-GOSISDBHSA-N -1 0 337.419 3.724 20 0 EHADRM Cc1nc(-c2ccsc2)ccc1C(=O)N(C)[C@@H](CC(C)C)C(=O)[O-] ZINC000568414244 974670183 /nfs/dbraw/zinc/67/01/83/974670183.db2.gz GCOZWTPFZNOFSD-INIZCTEOSA-N -1 0 346.452 3.690 20 0 EHADRM COc1cncc(/C=C\CCN2CC[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000568534680 974672920 /nfs/dbraw/zinc/67/29/20/974672920.db2.gz TZVVLWLEJALIED-WLPBJKJWSA-N -1 0 338.407 3.572 20 0 EHADRM Cc1ccccc1[C@@H](C(=O)[O-])N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000570100101 974705085 /nfs/dbraw/zinc/70/50/85/974705085.db2.gz HCJDDJWOZAZIFQ-MSOLQXFVSA-N -1 0 345.826 3.848 20 0 EHADRM Cc1csc2nc(C)nc(N[C@H](C)c3ncc(C(=O)[O-])s3)c12 ZINC000572123933 974741805 /nfs/dbraw/zinc/74/18/05/974741805.db2.gz BBXTZCGJOURAHN-SSDOTTSWSA-N -1 0 334.426 3.636 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)NCc2cccc(Cl)c2Cl)CC1 ZINC000572379545 974747340 /nfs/dbraw/zinc/74/73/40/974747340.db2.gz JRPXZLOXTHBVDJ-MGCOHNPYSA-N -1 0 330.211 3.501 20 0 EHADRM O=C([O-])c1ccoc1CN1CCC[C@H]1c1nc2ccccc2s1 ZINC000574213475 974778484 /nfs/dbraw/zinc/77/84/84/974778484.db2.gz USKKJPZCLSFILB-ZDUSSCGKSA-N -1 0 328.393 3.925 20 0 EHADRM COCc1c2ccccc2oc1C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000575217625 974797551 /nfs/dbraw/zinc/79/75/51/974797551.db2.gz VFVBEIYKWVEYKA-UHFFFAOYSA-N -1 0 339.347 3.838 20 0 EHADRM CC(C)C[C@H](C)n1nccc1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000576092337 974808149 /nfs/dbraw/zinc/80/81/49/974808149.db2.gz KAECVVDCWJJFLB-ZDUSSCGKSA-N -1 0 344.415 3.761 20 0 EHADRM CNC(=O)c1ccccc1Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001211487895 1014217543 /nfs/dbraw/zinc/21/75/43/1014217543.db2.gz VMMLVOXLMPUROR-UHFFFAOYSA-N -1 0 338.285 3.507 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)Nc1ccc2oc(C(C)C)nc2c1 ZINC000578315601 974852953 /nfs/dbraw/zinc/85/29/53/974852953.db2.gz FJFLPIFXPBDERE-UHFFFAOYSA-N -1 0 342.351 3.732 20 0 EHADRM O=C([O-])CC1(CC(=O)NCc2ccc3sccc3c2)CCCC1 ZINC000578997471 974866731 /nfs/dbraw/zinc/86/67/31/974866731.db2.gz YYAYJPKXGHHJQM-UHFFFAOYSA-N -1 0 331.437 3.943 20 0 EHADRM O=C([O-])[C@H](CNC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)CC1CC1 ZINC000579722073 974882237 /nfs/dbraw/zinc/88/22/37/974882237.db2.gz DXKQNLDHUNHGHD-IPMKNSEASA-N -1 0 337.419 3.560 20 0 EHADRM COC1([C@@H](C(=O)[O-])N2Cc3ccccc3-c3ccccc3C2)CCC1 ZINC000580456452 974894808 /nfs/dbraw/zinc/89/48/08/974894808.db2.gz BOPHBLXFSGVDGL-LJQANCHMSA-N -1 0 337.419 3.692 20 0 EHADRM O=C([O-])CC[C@H](CC1CCCCC1)NC(=O)CC1CCSCC1 ZINC000580762850 974898911 /nfs/dbraw/zinc/89/89/11/974898911.db2.gz JVOBWWRNQPOHRC-MRXNPFEDSA-N -1 0 341.517 3.840 20 0 EHADRM COCc1ccc([C@H]2CCCN2[C@@H](C(=O)[O-])c2ccccc2F)o1 ZINC000583387015 974940613 /nfs/dbraw/zinc/94/06/13/974940613.db2.gz VVOLYURNJTYQBW-NVXWUHKLSA-N -1 0 333.359 3.528 20 0 EHADRM COCc1ccc([C@H]2CCCN2[C@H](C(=O)[O-])c2ccccc2F)o1 ZINC000583387017 974940651 /nfs/dbraw/zinc/94/06/51/974940651.db2.gz VVOLYURNJTYQBW-WBVHZDCISA-N -1 0 333.359 3.528 20 0 EHADRM CC1CC(C(=O)NCc2ccc(C(=O)[O-])o2)(c2cccc(Cl)c2)C1 ZINC000584303117 974953603 /nfs/dbraw/zinc/95/36/03/974953603.db2.gz YVVMPFYEGCRKPL-UHFFFAOYSA-N -1 0 347.798 3.615 20 0 EHADRM CC(C)c1nc(CN(Cc2ccccc2)C[C@H](C)C(=O)[O-])cs1 ZINC000584416173 974955435 /nfs/dbraw/zinc/95/54/35/974955435.db2.gz PVKLQMRTXOIFOC-AWEZNQCLSA-N -1 0 332.469 3.989 20 0 EHADRM Cc1c(NC(=O)CCCOc2ccccc2F)cccc1C(=O)[O-] ZINC000618074483 975024368 /nfs/dbraw/zinc/02/43/68/975024368.db2.gz ICGSGECPHUTHBT-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM O=C([O-])CC1(CC(=O)NCCCSc2ccccc2)CCCC1 ZINC000620838318 975026494 /nfs/dbraw/zinc/02/64/94/975026494.db2.gz ZHWRBSVUTKPITI-UHFFFAOYSA-N -1 0 335.469 3.710 20 0 EHADRM Cc1ccc2c(CC(=O)N3CCc4c(cccc4C(=O)[O-])C3)coc2c1 ZINC000621578241 975038448 /nfs/dbraw/zinc/03/84/48/975038448.db2.gz FZVBGAODPQLMJK-UHFFFAOYSA-N -1 0 349.386 3.567 20 0 EHADRM C[C@@H](C(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1)c1ccccc1F ZINC000621587723 975045275 /nfs/dbraw/zinc/04/52/75/975045275.db2.gz IOOKGUYVCPJZFX-BVGQSLNGSA-N -1 0 341.382 3.746 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)[C@H]1C[C@H]1C1CCCC1 ZINC000621589349 975047410 /nfs/dbraw/zinc/04/74/10/975047410.db2.gz TYAXZPLAGDSSFG-XSLAGTTESA-N -1 0 327.424 3.630 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000621610498 975059260 /nfs/dbraw/zinc/05/92/60/975059260.db2.gz KUMAUNHGOWSBAX-JSGCOSHPSA-N -1 0 346.452 3.533 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N[C@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC000621610648 975059401 /nfs/dbraw/zinc/05/94/01/975059401.db2.gz NAUQQYOVVOJIMR-VXGBXAGGSA-N -1 0 346.452 3.775 20 0 EHADRM CCCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)s1 ZINC000630099113 975100734 /nfs/dbraw/zinc/10/07/34/975100734.db2.gz YDQRRPSSZHHISH-CQSZACIVSA-N -1 0 335.400 3.786 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@@H]2Cc2ccccc2Cl)oc1C(=O)[O-] ZINC000630112978 975106090 /nfs/dbraw/zinc/10/60/90/975106090.db2.gz MOTTUBSZHYBQJK-CYBMUJFWSA-N -1 0 347.798 3.787 20 0 EHADRM Cc1cc(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)oc1C(=O)[O-] ZINC000630115666 975107862 /nfs/dbraw/zinc/10/78/62/975107862.db2.gz PRFHDCZFCVRQAJ-UHFFFAOYSA-N -1 0 345.370 3.520 20 0 EHADRM O=C([O-])c1cncc(C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1 ZINC000630116916 975108475 /nfs/dbraw/zinc/10/84/75/975108475.db2.gz XUUCWSDYCZTKEZ-GOSISDBHSA-N -1 0 349.390 3.629 20 0 EHADRM Cc1cc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)oc1C(=O)[O-] ZINC000630122551 975110934 /nfs/dbraw/zinc/11/09/34/975110934.db2.gz ROXGMYPATUIMQK-DZGCQCFKSA-N -1 0 327.380 3.552 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)CCc1ccccc1C(F)(F)F ZINC000630123954 975110980 /nfs/dbraw/zinc/11/09/80/975110980.db2.gz FHTGPBBJECJTQS-UHFFFAOYSA-N -1 0 345.361 3.597 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)cc1C(=O)[O-] ZINC000630131437 975116449 /nfs/dbraw/zinc/11/64/49/975116449.db2.gz HOSOVFNOGOFTMT-JKSUJKDBSA-N -1 0 345.370 3.578 20 0 EHADRM O=C([O-])C1CCC(NC(=O)c2cc3c(ccc4ccccc34)o2)CC1 ZINC000630134479 975119339 /nfs/dbraw/zinc/11/93/39/975119339.db2.gz BWZBIQVBUTUSAB-UHFFFAOYSA-N -1 0 337.375 3.959 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C(C)(C)[C@@H]2CCCCO2)cc1 ZINC000630142309 975126330 /nfs/dbraw/zinc/12/63/30/975126330.db2.gz LTKRYAISVMWISZ-HNNXBMFYSA-N -1 0 333.428 3.583 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000630166622 975139415 /nfs/dbraw/zinc/13/94/15/975139415.db2.gz KCLGFTBABQMEIV-CABCVRRESA-N -1 0 339.391 3.770 20 0 EHADRM Cc1cc(C(=O)N2C[C@@H](C)C[C@H]2c2ccccc2F)oc1C(=O)[O-] ZINC000630170058 975141133 /nfs/dbraw/zinc/14/11/33/975141133.db2.gz IDWXTCNVTPWMON-HZMBPMFUSA-N -1 0 331.343 3.649 20 0 EHADRM Cc1ccccc1CO[C@H](C)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000630194787 975152492 /nfs/dbraw/zinc/15/24/92/975152492.db2.gz VHGYQVGXFZTADF-LSDHHAIUSA-N -1 0 341.407 3.727 20 0 EHADRM CC1(C)[C@H](C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)[C@H]1c1ccccc1 ZINC000630219564 975165789 /nfs/dbraw/zinc/16/57/89/975165789.db2.gz NSUGKPYTZNEOFJ-MSOLQXFVSA-N -1 0 335.403 3.667 20 0 EHADRM C[C@@H](CCC(=O)NCc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC000630233661 975180517 /nfs/dbraw/zinc/18/05/17/975180517.db2.gz XIINILRKBZMQHT-HNNXBMFYSA-N -1 0 325.408 3.514 20 0 EHADRM CC(C)OCc1ccc(C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC000630265016 975208690 /nfs/dbraw/zinc/20/86/90/975208690.db2.gz KNZJWYQQDCMRSQ-GOSISDBHSA-N -1 0 347.455 3.623 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1c[nH]cc1-c1ccccc1)C1CCCCC1 ZINC000630265553 975209300 /nfs/dbraw/zinc/20/93/00/975209300.db2.gz RUJJQQVVNSMOMT-QGZVFWFLSA-N -1 0 340.423 3.693 20 0 EHADRM CC1(C)[C@@H](c2ccc(F)cc2)CCN1C(=O)c1cc(C(=O)[O-])co1 ZINC000630267320 975211059 /nfs/dbraw/zinc/21/10/59/975211059.db2.gz IFRAJPJKPBQUHJ-CQSZACIVSA-N -1 0 331.343 3.525 20 0 EHADRM CC1(C)[C@H](c2cccc(F)c2)CCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000630274974 975219869 /nfs/dbraw/zinc/21/98/69/975219869.db2.gz PHXRMCHXHJHAJZ-KRWDZBQOSA-N -1 0 341.382 3.932 20 0 EHADRM Cc1cc2cc(C(=O)N3CC[C@H](C(=O)[O-])[C@H]4CCC[C@@H]43)oc2cc1C ZINC000630281511 975226256 /nfs/dbraw/zinc/22/62/56/975226256.db2.gz CGQGZEJHIDJUGJ-PMPSAXMXSA-N -1 0 341.407 3.765 20 0 EHADRM Cc1cccc2cc(C(=O)N3CC[C@H](C(=O)[O-])[C@H]4CCC[C@H]43)sc21 ZINC000630286727 975231046 /nfs/dbraw/zinc/23/10/46/975231046.db2.gz YNTBSLKRQYOJST-QLFBSQMISA-N -1 0 343.448 3.925 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N(CC2CC2)c2cccc(F)c2)cc1 ZINC000630305449 975241331 /nfs/dbraw/zinc/24/13/31/975241331.db2.gz QKCYYPFTLPLKRQ-UHFFFAOYSA-N -1 0 327.355 3.510 20 0 EHADRM CCO[C@@H](C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)c1ccccc1 ZINC000630329003 975256789 /nfs/dbraw/zinc/25/67/89/975256789.db2.gz XMSUSTNKVQOXQT-RCCFBDPRSA-N -1 0 339.391 3.591 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(OC3CCCC3)cc2)CC[C@H]1C(=O)[O-] ZINC000630556235 975267185 /nfs/dbraw/zinc/26/71/85/975267185.db2.gz CQBBSOBWZPCUCS-SUMWQHHRSA-N -1 0 346.427 3.583 20 0 EHADRM O=C([O-])CC1(CC(=O)N2CC[C@H](Cc3ccccc3)C2)CCCC1 ZINC000634862015 975279479 /nfs/dbraw/zinc/27/94/79/975279479.db2.gz OMVFWNDUZPRTSQ-QGZVFWFLSA-N -1 0 329.440 3.503 20 0 EHADRM CCCC[C@@H](CC)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000642079594 975287926 /nfs/dbraw/zinc/28/79/26/975287926.db2.gz ZEDIZERZZLNNCP-CYBMUJFWSA-N -1 0 342.439 3.967 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000644874486 975327112 /nfs/dbraw/zinc/32/71/12/975327112.db2.gz IWEVWGSBXGYEMP-FUHWJXTLSA-N -1 0 345.483 3.913 20 0 EHADRM CC(C)(C)c1ccc([C@@H](NC(=O)CCC(=O)[O-])C(F)(F)F)cc1 ZINC000647119884 975357174 /nfs/dbraw/zinc/35/71/74/975357174.db2.gz VHPKAIMKHBOVSL-CQSZACIVSA-N -1 0 331.334 3.569 20 0 EHADRM CC[C@H](Nc1ccc(C(=O)[O-])cn1)c1nc(C(F)(F)F)cs1 ZINC000647450840 975363420 /nfs/dbraw/zinc/36/34/20/975363420.db2.gz AFNARCXIZPAPRM-QMMMGPOBSA-N -1 0 331.319 3.818 20 0 EHADRM C[C@H](Nc1ncc(C(=O)[O-])cc1Cl)[C@H]1OCCc2sccc21 ZINC000647455721 975364995 /nfs/dbraw/zinc/36/49/95/975364995.db2.gz LJVHFLHWOYMUIQ-ISVAXAHUSA-N -1 0 338.816 3.609 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@H](C)c2ccc(Cl)cc2)c(C)c1 ZINC000107971107 1014255165 /nfs/dbraw/zinc/25/51/65/1014255165.db2.gz ZKSUJGFWHACVSE-QKFKETGDSA-N -1 0 349.883 3.942 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)Nc2ccc3nc(C4CC4)sc3c2)C1 ZINC000647695083 975373663 /nfs/dbraw/zinc/37/36/63/975373663.db2.gz JSDGGUJBVOOCCV-MNOVXSKESA-N -1 0 345.424 3.549 20 0 EHADRM C[C@H](C(=O)N1CCc2cccc(C(=O)[O-])c2C1)c1ccc(Cl)s1 ZINC000649258858 975401265 /nfs/dbraw/zinc/40/12/65/975401265.db2.gz FYTGJCCOACRZNP-JTQLQIEISA-N -1 0 349.839 3.788 20 0 EHADRM O=C([O-])[C@@H]1CN(c2nc(C3CCCCC3)ns2)Cc2ccccc21 ZINC000649400880 975415279 /nfs/dbraw/zinc/41/52/79/975415279.db2.gz JOYPMAWYHMLNLC-OAHLLOKOSA-N -1 0 343.452 3.774 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@@H](C)c2ccccc2Cl)c(C)c1 ZINC000107971125 1014260755 /nfs/dbraw/zinc/26/07/55/1014260755.db2.gz KRDJEYIHEFKLPM-PSLXWICFSA-N -1 0 349.883 3.942 20 0 EHADRM CC(C)O[C@@H](C(=O)OCCc1ccccc1C(=O)[O-])c1ccccc1 ZINC001591687305 975502072 /nfs/dbraw/zinc/50/20/72/975502072.db2.gz ZCROQSLSRSSSEB-GOSISDBHSA-N -1 0 342.391 3.637 20 0 EHADRM CC(C)[C@@H](C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)c1cccc(Cl)c1 ZINC000652124759 975511161 /nfs/dbraw/zinc/51/11/61/975511161.db2.gz RAAHGONLLWEOJB-GVDBMIGSSA-N -1 0 349.858 3.649 20 0 EHADRM O=C([O-])[C@@H](c1ccsc1)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000652429619 975528893 /nfs/dbraw/zinc/52/88/93/975528893.db2.gz FOYXJXMQBAUXNZ-HUUCEWRRSA-N -1 0 337.828 3.601 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2nc(/C=C\c3ccccc3)cs2)C1 ZINC000653298581 975579505 /nfs/dbraw/zinc/57/95/05/975579505.db2.gz VFROEBZCSKJQFM-UMBVUCBTSA-N -1 0 342.420 3.753 20 0 EHADRM Cc1csc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1Cl ZINC000653329285 975589345 /nfs/dbraw/zinc/58/93/45/975589345.db2.gz UGGPZUDGXSZGKB-NEPJUHHUSA-N -1 0 335.812 3.753 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N2CCCCC[C@@H]2c2ccco2)c1 ZINC000653640858 975607966 /nfs/dbraw/zinc/60/79/66/975607966.db2.gz PNFKUTUDOXYWPS-MRXNPFEDSA-N -1 0 327.380 3.664 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2cccc(CC(=O)[O-])c2)o1 ZINC000653641687 975609027 /nfs/dbraw/zinc/60/90/27/975609027.db2.gz RROAWDBZCHFUIM-GUYCJALGSA-N -1 0 341.407 3.829 20 0 EHADRM CCCN(Cc1ccc(C)cc1)C(=O)c1cccc(CC(=O)[O-])c1 ZINC000653642279 975610770 /nfs/dbraw/zinc/61/07/70/975610770.db2.gz SGSOJQCVLBLTIZ-UHFFFAOYSA-N -1 0 325.408 3.675 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)CCc1c(Cl)cccc1Cl ZINC000655534942 975622818 /nfs/dbraw/zinc/62/28/18/975622818.db2.gz SCRSENMFRRBWOA-UHFFFAOYSA-N -1 0 332.227 3.686 20 0 EHADRM CCc1ccc(NC(=O)N2CCC(CCC(=O)[O-])CC2)cc1CC ZINC000656602861 975664010 /nfs/dbraw/zinc/66/40/10/975664010.db2.gz PHCLTQKFOUWHLR-UHFFFAOYSA-N -1 0 332.444 3.920 20 0 EHADRM CC1(C)CO[C@H](c2cccc(Cl)c2)CN1Cc1occc1C(=O)[O-] ZINC000656766205 975699686 /nfs/dbraw/zinc/69/96/86/975699686.db2.gz SGYMEHBHGVHKCD-HNNXBMFYSA-N -1 0 349.814 3.983 20 0 EHADRM O=C([O-])[C@@H]1CCN(Cc2noc(C3CCCCC3)n2)[C@H]2CCCC[C@H]12 ZINC000656768580 975703085 /nfs/dbraw/zinc/70/30/85/975703085.db2.gz VTOVJNSUSMVIKE-OAGGEKHMSA-N -1 0 347.459 3.583 20 0 EHADRM O=C([O-])[C@@H]1CCN(Cc2noc(C3CCCCC3)n2)[C@H]2CCCC[C@@H]12 ZINC000656768583 975703333 /nfs/dbraw/zinc/70/33/33/975703333.db2.gz VTOVJNSUSMVIKE-XHSDSOJGSA-N -1 0 347.459 3.583 20 0 EHADRM CC(C)c1ccc2c(c1)CN(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)CC2 ZINC000656851765 975707326 /nfs/dbraw/zinc/70/73/26/975707326.db2.gz QQBLERZAHJCTFJ-IAGOWNOFSA-N -1 0 329.440 3.586 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1C[C@H](c2ccccc2C)C[C@H]1C ZINC000659122381 975721532 /nfs/dbraw/zinc/72/15/32/975721532.db2.gz LKYJESJFUHDVES-TZMCWYRMSA-N -1 0 327.380 3.613 20 0 EHADRM CC(C)OCc1noc(CNc2cccc3cc(C(=O)[O-])sc32)n1 ZINC001591735449 975726470 /nfs/dbraw/zinc/72/64/70/975726470.db2.gz VDSITCANJJYRNZ-UHFFFAOYSA-N -1 0 347.396 3.520 20 0 EHADRM CC(C)OCc1cccc(N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])c1 ZINC001591735872 975728786 /nfs/dbraw/zinc/72/87/86/975728786.db2.gz XNLFJXGHFQMMSG-SFHVURJKSA-N -1 0 331.387 3.859 20 0 EHADRM Cc1nn(C(C)(C)C)cc1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000659131497 975731764 /nfs/dbraw/zinc/73/17/64/975731764.db2.gz YBCDLWZDRBKLBW-UHFFFAOYSA-N -1 0 335.791 3.550 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000659148748 975750754 /nfs/dbraw/zinc/75/07/54/975750754.db2.gz WZVBWSFGDHIJMD-KVPUOBJLSA-N -1 0 325.364 3.604 20 0 EHADRM O=C([O-])C1(C(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)CC2(CCC2)C1 ZINC000659154128 975754114 /nfs/dbraw/zinc/75/41/14/975754114.db2.gz LWWMXINOYHQKGM-HOCLYGCPSA-N -1 0 345.414 3.613 20 0 EHADRM CN(C(=O)[C@H]1CC[C@H](C2CCC2)CC1)c1ccc(OCC(=O)[O-])cc1 ZINC000659156541 975755203 /nfs/dbraw/zinc/75/52/03/975755203.db2.gz MYIRSDLMBASLOR-WKILWMFISA-N -1 0 345.439 3.719 20 0 EHADRM CC(C)(CCNC(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000659156064 975755518 /nfs/dbraw/zinc/75/55/18/975755518.db2.gz CVZSEGIXEZKTMS-UHFFFAOYSA-N -1 0 325.817 3.785 20 0 EHADRM CC(C)Oc1c(NC(=O)N(C)CC2CCCC2)cccc1C(=O)[O-] ZINC001591741731 975756859 /nfs/dbraw/zinc/75/68/59/975756859.db2.gz OZDUUQNRMJCIEJ-UHFFFAOYSA-N -1 0 334.416 3.826 20 0 EHADRM CCCCCc1cc(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)n[nH]1 ZINC000659160852 975760318 /nfs/dbraw/zinc/76/03/18/975760318.db2.gz NDLKHMWQAUFSMJ-LBPRGKRZSA-N -1 0 329.400 3.583 20 0 EHADRM CC[C@@H](CNC(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)[O-] ZINC000659164069 975762691 /nfs/dbraw/zinc/76/26/91/975762691.db2.gz NJYZCSCKJPSPPW-GUYCJALGSA-N -1 0 345.826 3.699 20 0 EHADRM CC[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21)c1ccccc1 ZINC000659191535 975788509 /nfs/dbraw/zinc/78/85/09/975788509.db2.gz DMKVPVIOBLCWPW-MHORFTMASA-N -1 0 329.440 3.672 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000659192795 975791629 /nfs/dbraw/zinc/79/16/29/975791629.db2.gz OEOQDYNVMNXNAH-OWCLPIDISA-N -1 0 335.831 3.754 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cccc(F)c2Cl)[C@@H]2CCCC[C@@H]12 ZINC000659196712 975801584 /nfs/dbraw/zinc/80/15/84/975801584.db2.gz XLHXJVYOMHPDRD-MISXGVKJSA-N -1 0 339.794 3.585 20 0 EHADRM O=C([O-])c1occc1CNC(=O)c1cc2c(s1)CCCCCC2 ZINC000659197539 975804598 /nfs/dbraw/zinc/80/45/98/975804598.db2.gz FYIXHGZRFUKOJF-UHFFFAOYSA-N -1 0 333.409 3.628 20 0 EHADRM CC(C)Oc1c(NCc2cnc(Cl)s2)cccc1C(=O)[O-] ZINC001591751793 975809956 /nfs/dbraw/zinc/80/99/56/975809956.db2.gz GRKXFQQXJBPEQM-UHFFFAOYSA-N -1 0 326.805 3.894 20 0 EHADRM CN(C[C@@H]1CCc2ccccc21)C(=O)CCc1ccccc1C(=O)[O-] ZINC000659232579 975842102 /nfs/dbraw/zinc/84/21/02/975842102.db2.gz BXGQAMLPHLHKSE-KRWDZBQOSA-N -1 0 337.419 3.506 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001591767043 975875223 /nfs/dbraw/zinc/87/52/23/975875223.db2.gz FDFYNKSDMLFEHK-SNPRPXQTSA-N -1 0 346.427 3.730 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NC[C@]1(C)C[C@H]2C[C@H]2C1 ZINC001591768080 975887350 /nfs/dbraw/zinc/88/73/50/975887350.db2.gz ZJAMZCPAUVJZLC-HBCWATKFSA-N -1 0 346.427 3.730 20 0 EHADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1ccsc1Cl ZINC000663024923 975919176 /nfs/dbraw/zinc/91/91/76/975919176.db2.gz FXJPRKQOZPNZLC-GFCCVEGCSA-N -1 0 337.828 3.607 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@H]2CCSc3ccccc32)CCCCC1 ZINC000663123044 975925678 /nfs/dbraw/zinc/92/56/78/975925678.db2.gz IVEHAIQFGHHWAZ-AWEZNQCLSA-N -1 0 333.453 3.560 20 0 EHADRM CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NCCCCC(=O)[O-] ZINC000666542947 975968976 /nfs/dbraw/zinc/96/89/76/975968976.db2.gz PKXCAFCAPMWJQG-MAUKXSAKSA-N -1 0 332.444 3.500 20 0 EHADRM CO[C@@H]1CCC[C@@H](CC(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)C1 ZINC000668269601 975978158 /nfs/dbraw/zinc/97/81/58/975978158.db2.gz NWWBBXIKYGNUNB-UKRRQHHQSA-N -1 0 349.427 3.706 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000669434275 976000197 /nfs/dbraw/zinc/00/01/97/976000197.db2.gz CHEHIABRXGGHLP-CZUORRHYSA-N -1 0 341.382 3.609 20 0 EHADRM CC(C)Oc1cccc([C@@H](C)OC(=O)c2ccoc2CC(=O)[O-])c1 ZINC001591795792 976001700 /nfs/dbraw/zinc/00/17/00/976001700.db2.gz LTQBSRQLCPKIJQ-GFCCVEGCSA-N -1 0 332.352 3.612 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000669434570 976001705 /nfs/dbraw/zinc/00/17/05/976001705.db2.gz UIEQFUMMYPPHNQ-IXDOHACOSA-N -1 0 339.366 3.534 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N(CC(=O)[O-])C3CCCCC3)cc2c1C ZINC000675993543 976024032 /nfs/dbraw/zinc/02/40/32/976024032.db2.gz GZUJVNSEPFWLNQ-UHFFFAOYSA-N -1 0 328.412 3.644 20 0 EHADRM Cc1ccc(/C=C/CC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1 ZINC000679094871 976039980 /nfs/dbraw/zinc/03/99/80/976039980.db2.gz SDJRWOKQBRXEES-PXPVJAHISA-N -1 0 335.403 3.609 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000679103706 976045723 /nfs/dbraw/zinc/04/57/23/976045723.db2.gz YMPDUTGMMUOLON-GDBMZVCRSA-N -1 0 349.496 3.907 20 0 EHADRM CCCC[C@@H](NC(=O)c1cnc(-c2ccc(C)cc2C)s1)C(=O)[O-] ZINC000680362545 976053001 /nfs/dbraw/zinc/05/30/01/976053001.db2.gz IPWARENSLLWSRX-CQSZACIVSA-N -1 0 346.452 3.800 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2ncoc2-c2ccccc2)c1 ZINC000682437436 976073762 /nfs/dbraw/zinc/07/37/62/976073762.db2.gz XCHSPPFYWXARDJ-UHFFFAOYSA-N -1 0 336.347 3.611 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(C(=O)[O-])c2C)nn1-c1ccc(C)cc1 ZINC000683304020 976083722 /nfs/dbraw/zinc/08/37/22/976083722.db2.gz OGYNZAWUAXAJOA-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000685019360 976093436 /nfs/dbraw/zinc/09/34/36/976093436.db2.gz CNCLLHLSHFCWDT-UHFFFAOYSA-N -1 0 341.860 3.827 20 0 EHADRM CC(C)[C@H](NC(=O)c1cc2cc(C(F)(F)F)ccc2s1)C(=O)[O-] ZINC001591889828 976256734 /nfs/dbraw/zinc/25/67/34/976256734.db2.gz QWOALBKFSRJCTQ-LBPRGKRZSA-N -1 0 345.342 3.759 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)CC1 ZINC001591907792 976316096 /nfs/dbraw/zinc/31/60/96/976316096.db2.gz ZNLMCNHEOFAHHQ-HAQNSBGRSA-N -1 0 329.400 3.662 20 0 EHADRM CC(C)c1cc(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)c2ccccc2n1 ZINC001591925735 976411035 /nfs/dbraw/zinc/41/10/35/976411035.db2.gz QKDURHSEDDNXGP-KRWDZBQOSA-N -1 0 342.439 3.977 20 0 EHADRM CC(C)c1ccc(CCNC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001591954062 976521504 /nfs/dbraw/zinc/52/15/04/976521504.db2.gz HVQFTLQWMRDHRH-UHFFFAOYSA-N -1 0 326.396 3.872 20 0 EHADRM CC(C)c1ccc(NCC(=O)N[C@H](C)c2cccs2)c(C(=O)[O-])c1 ZINC001591967455 976563458 /nfs/dbraw/zinc/56/34/58/976563458.db2.gz BJYNBMCEBVHXIS-GFCCVEGCSA-N -1 0 346.452 3.859 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)c1csc(C(=O)[O-])n1)CCC2 ZINC001591981169 976596311 /nfs/dbraw/zinc/59/63/11/976596311.db2.gz QFIKOTRKQUSVNF-CQSZACIVSA-N -1 0 344.436 3.772 20 0 EHADRM CC(C)c1cccc(CNC(=O)Nc2ccc(OCC(=O)[O-])cc2)c1 ZINC001591988236 976616926 /nfs/dbraw/zinc/61/69/26/976616926.db2.gz ZSROAOWZYYVWSY-UHFFFAOYSA-N -1 0 342.395 3.595 20 0 EHADRM CC(C)c1cccc2c1CCN(C(=O)/C=C\c1cc(C(=O)[O-])co1)C2 ZINC001591994855 976637360 /nfs/dbraw/zinc/63/73/60/976637360.db2.gz VDDRDVWCPKZLCS-SREVYHEPSA-N -1 0 339.391 3.699 20 0 EHADRM CC(C)c1ccccc1NC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC001591998066 976645506 /nfs/dbraw/zinc/64/55/06/976645506.db2.gz MCBACJSXIQXJET-YQQAZPJKSA-N -1 0 330.428 3.917 20 0 EHADRM CC(C)c1cnc(NC(=O)N[C@@H](CC(=O)[O-])c2cccs2)s1 ZINC001592002391 976650276 /nfs/dbraw/zinc/65/02/76/976650276.db2.gz FEFFDQBLUNKHKK-VIFPVBQESA-N -1 0 339.442 3.666 20 0 EHADRM CC(C)c1ccccc1OCCNC(=O)Nc1ccc(C(=O)[O-])s1 ZINC001592004064 976667267 /nfs/dbraw/zinc/66/72/67/976667267.db2.gz JYMLPMHGJQXHGD-UHFFFAOYSA-N -1 0 348.424 3.770 20 0 EHADRM CC(C)c1nc(NC(=O)[C@H]2CCCC(F)(F)C2)sc1C(=O)[O-] ZINC001592021358 976713406 /nfs/dbraw/zinc/71/34/06/976713406.db2.gz CBYAOMPNVVCQCQ-QMMMGPOBSA-N -1 0 332.372 3.729 20 0 EHADRM CC(C)c1nc(N[C@H](C[C@@H]2CCCOC2)C(=O)[O-])cc(C(C)(C)C)n1 ZINC001592030159 976734151 /nfs/dbraw/zinc/73/41/51/976734151.db2.gz CAXRBYILRNVDEZ-UONOGXRCSA-N -1 0 349.475 3.579 20 0 EHADRM CC(C)c1nc2cc(NC(=O)NC[C@@H](CC(=O)[O-])C3CC3)ccc2o1 ZINC001592030563 976737325 /nfs/dbraw/zinc/73/73/25/976737325.db2.gz VHGWZZMIRCYVPE-GFCCVEGCSA-N -1 0 345.399 3.574 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)N3CC[C@H](C(=O)[O-])[C@H]3C)cc2s1 ZINC001592031487 976741287 /nfs/dbraw/zinc/74/12/87/976741287.db2.gz FZJYGVWSPBYPOE-PWSUYJOCSA-N -1 0 347.440 3.747 20 0 EHADRM CC(C)c1nc2ccccn2c1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001592032176 976742102 /nfs/dbraw/zinc/74/21/02/976742102.db2.gz MIDWBECBVCEZKO-UHFFFAOYSA-N -1 0 343.427 3.821 20 0 EHADRM CC(C)c1ncc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2Cl)s1 ZINC001592033629 976749684 /nfs/dbraw/zinc/74/96/84/976749684.db2.gz NWHYBNUJZCBSKM-GFCCVEGCSA-N -1 0 339.800 3.903 20 0 EHADRM CC(C)c1nnc(N2CCC[C@@H](C(=O)[O-])C2)n1CCC(C)(C)C1CC1 ZINC001592061388 976816663 /nfs/dbraw/zinc/81/66/63/976816663.db2.gz QVYBVYXUPRHGIA-CQSZACIVSA-N -1 0 348.491 3.529 20 0 EHADRM CC(C)c1nc(C#N)c([N-]N=C2c3cc(Cl)ccc3NC2=O)o1 ZINC000063556547 1014372086 /nfs/dbraw/zinc/37/20/86/1014372086.db2.gz AMFYEGUVSNGCHE-UHFFFAOYSA-N -1 0 329.747 3.741 20 0 EHADRM C[C@@H](CC(=O)NC[C@H](C(=O)[O-])C1CCCCC1)c1cccc(F)c1 ZINC001592245995 977472782 /nfs/dbraw/zinc/47/27/82/977472782.db2.gz MYKQKWNMRYRLSK-GUYCJALGSA-N -1 0 335.419 3.717 20 0 EHADRM C[C@@H](CC(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1)CC(C)(C)C ZINC001592252233 977482274 /nfs/dbraw/zinc/48/22/74/977482274.db2.gz MBYKRASHUIGLAE-LBPRGKRZSA-N -1 0 332.444 3.736 20 0 EHADRM C[C@@H](CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-])C1CCCCC1 ZINC001592259358 977499330 /nfs/dbraw/zinc/49/93/30/977499330.db2.gz PDKDYHNMGMPESX-SUMWQHHRSA-N -1 0 335.419 3.544 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)c1cc2cccc(Cl)c2s1)C1CC1 ZINC001592304114 977662592 /nfs/dbraw/zinc/66/25/92/977662592.db2.gz JYFRVUHBFWWUTD-MRXNPFEDSA-N -1 0 337.828 3.928 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)c1ccc2c(c1)-c1ccccc1C2)C1CC1 ZINC001592308410 977674934 /nfs/dbraw/zinc/67/49/34/977674934.db2.gz HNSBVGHGRUTUGY-OAQYLSRUSA-N -1 0 335.403 3.631 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)NCC1(c2ccccc2)CCCCCC1 ZINC001592385440 977929081 /nfs/dbraw/zinc/92/90/81/977929081.db2.gz VINQURICWMGOHI-MRXNPFEDSA-N -1 0 331.456 3.896 20 0 EHADRM C[C@@H](CC(=O)[O-])SCc1ccc(OCc2ccccc2F)nc1 ZINC001592422088 978035934 /nfs/dbraw/zinc/03/59/34/978035934.db2.gz KYHWBVSWADNBIT-LBPRGKRZSA-N -1 0 335.400 3.896 20 0 EHADRM C[C@@H](CC(C)(C)C)NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001592444219 978101814 /nfs/dbraw/zinc/10/18/14/978101814.db2.gz LRWBYHYZWXZWNY-ZFWWWQNUSA-N -1 0 334.460 3.962 20 0 EHADRM C[C@@H](CC(F)(F)F)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001592451353 978135843 /nfs/dbraw/zinc/13/58/43/978135843.db2.gz BMALPAOVUKBLAX-YFKPBYRVSA-N -1 0 327.661 3.704 20 0 EHADRM C[C@@H](CC(F)(F)F)C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001592451648 978138109 /nfs/dbraw/zinc/13/81/09/978138109.db2.gz DJPAPBVOEGDKLF-GWCFXTLKSA-N -1 0 343.345 3.509 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N[C@H](C)CC1CCC1 ZINC001592459240 978177862 /nfs/dbraw/zinc/17/78/62/978177862.db2.gz LIZUKWLBQINMGD-GFCCVEGCSA-N -1 0 334.416 3.872 20 0 EHADRM C[C@@H](CC1CCCCC1)C(=O)Nc1cc(CCC(=O)[O-])ccc1O ZINC001592465906 978209732 /nfs/dbraw/zinc/20/97/32/978209732.db2.gz OIQJEJNISQPHSC-ZDUSSCGKSA-N -1 0 333.428 3.954 20 0 EHADRM C[C@H](CC1CCCC1)C(=O)Nc1cc(C(F)(F)F)cnc1C(=O)[O-] ZINC001592466296 978212469 /nfs/dbraw/zinc/21/24/69/978212469.db2.gz VTDLRRJMJBWOTG-SECBINFHSA-N -1 0 344.333 3.954 20 0 EHADRM C[C@H](CCC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)c1ccccc1 ZINC001592471100 978228663 /nfs/dbraw/zinc/22/86/63/978228663.db2.gz PTPAICILBKWYEI-WRWLIDTKSA-N -1 0 329.440 3.674 20 0 EHADRM C[C@@H](CCC(C)(C)C)C(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001592477598 978245595 /nfs/dbraw/zinc/24/55/95/978245595.db2.gz LSQNJSUNDVTVEW-DWBBHFSCSA-N -1 0 341.517 3.694 20 0 EHADRM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cccs2)c1C ZINC000063181282 1014479337 /nfs/dbraw/zinc/47/93/37/1014479337.db2.gz LIXPBZDENDSABX-UHFFFAOYSA-N -1 0 338.454 3.596 20 0 EHADRM C[C@@H](CCNC(=O)N1CCc2cccc(C(=O)[O-])c2C1)CC(C)(C)C ZINC001592513399 978345233 /nfs/dbraw/zinc/34/52/33/978345233.db2.gz OOGKXVOEZGPUGL-AWEZNQCLSA-N -1 0 346.471 3.915 20 0 EHADRM C[C@@H](CS[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000736616033 978345711 /nfs/dbraw/zinc/34/57/11/978345711.db2.gz IMPRDWQWBLJWFR-YUMQZZPRSA-N -1 0 336.240 3.774 20 0 EHADRM CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000736904482 978365653 /nfs/dbraw/zinc/36/56/53/978365653.db2.gz BYLLGRNOXPHDQN-CQSZACIVSA-N -1 0 330.359 3.667 20 0 EHADRM C[C@H](CCOC(=O)c1ccc(C(=O)[O-])[nH]1)c1c[nH]c2ccccc21 ZINC001592529061 978383471 /nfs/dbraw/zinc/38/34/71/978383471.db2.gz KZRKLZJRAYIJCH-LLVKDONJSA-N -1 0 326.352 3.545 20 0 EHADRM C[C@@H](CCOC(=O)c1ccc(C(=O)[O-])n1C)c1c[nH]c2ccccc21 ZINC001592529095 978384222 /nfs/dbraw/zinc/38/42/22/978384222.db2.gz MDOVHMHEOPJLRZ-LBPRGKRZSA-N -1 0 340.379 3.555 20 0 EHADRM CCc1[nH]c(C(=O)Nc2cc(C3CCCCC3)[nH]n2)c(C)c1C(=O)[O-] ZINC000737243267 978390531 /nfs/dbraw/zinc/39/05/31/978390531.db2.gz FBGIHNZPEKDYNI-UHFFFAOYSA-N -1 0 344.415 3.607 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC001592539849 978420293 /nfs/dbraw/zinc/42/02/93/978420293.db2.gz CIXOKDAVIJKQMJ-LBPRGKRZSA-N -1 0 348.345 3.766 20 0 EHADRM C[C@H](CCc1ccc2c(c1)OCO2)Nc1cccc(CCC(=O)[O-])c1 ZINC001592540476 978424160 /nfs/dbraw/zinc/42/41/60/978424160.db2.gz KKUGUDXUXOGGCR-CQSZACIVSA-N -1 0 341.407 3.866 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)[C@@H]1CC[C@H](C)[C@H](C)C1)C(=O)[O-] ZINC001592602257 978539576 /nfs/dbraw/zinc/53/95/76/978539576.db2.gz NEWPTVYLHVSHTA-BVIKNXMNSA-N -1 0 331.456 3.808 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)c1cc2[nH]ccc2s1)C(=O)[O-] ZINC001592606226 978553782 /nfs/dbraw/zinc/55/37/82/978553782.db2.gz WVBWZOPYZUEZTR-GFCCVEGCSA-N -1 0 342.420 3.593 20 0 EHADRM C[C@](CNC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21)(C(=O)[O-])c1ccccc1 ZINC001592647769 978628793 /nfs/dbraw/zinc/62/87/93/978628793.db2.gz OTMQENTUUNNRSZ-LNNXQNCSSA-N -1 0 343.467 3.752 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N2CCC[C@@H]2c2ccco2)cc1 ZINC000739760490 978653458 /nfs/dbraw/zinc/65/34/58/978653458.db2.gz PUANWUDSETYQKD-OAHLLOKOSA-N -1 0 328.368 3.666 20 0 EHADRM CC(C)CCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000766974192 978730605 /nfs/dbraw/zinc/73/06/05/978730605.db2.gz ZJGVNAXDRDJNST-SFHVURJKSA-N -1 0 344.455 3.886 20 0 EHADRM CC(C)(C)c1ccc(CCC(=O)NCC2(C(=O)[O-])CCCC2)cc1 ZINC000767185987 978736605 /nfs/dbraw/zinc/73/66/05/978736605.db2.gz MCCNZSPEVZETRC-UHFFFAOYSA-N -1 0 331.456 3.678 20 0 EHADRM C[C@H]1c2cc(F)cc(F)c2CCN1CCOc1ccccc1C(=O)[O-] ZINC000768781774 978739992 /nfs/dbraw/zinc/73/99/92/978739992.db2.gz LYOPRKJUNUWYKN-LBPRGKRZSA-N -1 0 347.361 3.661 20 0 EHADRM O=C([O-])c1ccc(/C=C2\C(=O)Nc3cc(Br)ccc32)cc1 ZINC000774559290 978746947 /nfs/dbraw/zinc/74/69/47/978746947.db2.gz OJEGUZDUDCYLIX-QPEQYQDCSA-N -1 0 344.164 3.640 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)c1ccc2nccnc2c1 ZINC000776620422 978761004 /nfs/dbraw/zinc/76/10/04/978761004.db2.gz RZCSTDJLFKTTFZ-UHFFFAOYSA-N -1 0 343.342 3.734 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)Nc1cccc(SC(F)F)c1 ZINC000777359749 978775912 /nfs/dbraw/zinc/77/59/12/978775912.db2.gz OQZVGPMKHJZDSR-UHFFFAOYSA-N -1 0 337.347 3.881 20 0 EHADRM Cc1ccc2c(c1)CCCN2C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811814013 978856839 /nfs/dbraw/zinc/85/68/39/978856839.db2.gz PNQMITLTCDLHHL-UHFFFAOYSA-N -1 0 329.783 3.940 20 0 EHADRM CCOc1ccc([C@H](C)NC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000811815434 978859361 /nfs/dbraw/zinc/85/93/61/978859361.db2.gz PXFBPMAHOHFYLZ-NSHDSACASA-N -1 0 347.798 3.928 20 0 EHADRM CC(C)(NC(=O)c1cc(C(=O)[O-])ccc1Cl)c1cccc(F)c1 ZINC000811819013 978862530 /nfs/dbraw/zinc/86/25/30/978862530.db2.gz COGZYSPVCSQVEM-UHFFFAOYSA-N -1 0 335.762 3.842 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CCCc1cccc(C(F)(F)F)c1 ZINC000828095532 978969144 /nfs/dbraw/zinc/96/91/44/978969144.db2.gz RHISOQVOZNLRFQ-INIZCTEOSA-N -1 0 345.361 3.788 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828183573 978973875 /nfs/dbraw/zinc/97/38/75/978973875.db2.gz JEAVLTLXEWJEKR-IIYDPXPESA-N -1 0 341.382 3.931 20 0 EHADRM CCC(CC)[C@@H](NC(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccccc1 ZINC000828854839 978988819 /nfs/dbraw/zinc/98/88/19/978988819.db2.gz WLRWGBCOWDKREU-SJLPKXTDSA-N -1 0 332.444 3.813 20 0 EHADRM CCC(CC)[C@H](NC(=O)N1CCC[C@H]1CC(=O)[O-])c1ccccc1 ZINC000828854840 978989045 /nfs/dbraw/zinc/98/90/45/978989045.db2.gz WLRWGBCOWDKREU-WMZOPIPTSA-N -1 0 332.444 3.813 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)s1 ZINC000471117324 1014541228 /nfs/dbraw/zinc/54/12/28/1014541228.db2.gz UQKXRULDSJILMV-GXTWGEPZSA-N -1 0 348.447 3.509 20 0 EHADRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)C1CCCCC1 ZINC000832847983 979049906 /nfs/dbraw/zinc/04/99/06/979049906.db2.gz HOAMXAGYVMYZGD-UHFFFAOYSA-N -1 0 340.217 3.975 20 0 EHADRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)CSC(C)C ZINC000832848158 979050127 /nfs/dbraw/zinc/05/01/27/979050127.db2.gz RJOMZWBBRCZLJK-UHFFFAOYSA-N -1 0 346.246 3.536 20 0 EHADRM Cc1cc(NC(=O)N2CC[C@H](c3ccc(F)cc3)C2)ccc1C(=O)[O-] ZINC000832895447 979053147 /nfs/dbraw/zinc/05/31/47/979053147.db2.gz WLXKMMPRRZNFHW-AWEZNQCLSA-N -1 0 342.370 3.854 20 0 EHADRM CC[C@H](C)n1nc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1C ZINC001595022236 979102460 /nfs/dbraw/zinc/10/24/60/979102460.db2.gz ISIVOASYJSDGMV-LBPRGKRZSA-N -1 0 343.427 3.777 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)Nc1cccc(Cl)c1)c1ccc(F)cc1 ZINC000833198209 979114589 /nfs/dbraw/zinc/11/45/89/979114589.db2.gz DIWAIQNHNHQKDC-CQSZACIVSA-N -1 0 336.750 3.817 20 0 EHADRM CC[C@H](C)n1ncc(N[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])c1C ZINC001595026367 979135585 /nfs/dbraw/zinc/13/55/85/979135585.db2.gz HJVKLJZWCURWBL-XHDPSFHLSA-N -1 0 335.835 3.924 20 0 EHADRM CC[C@@H](C)n1ncc(C(=O)Oc2cc(Cl)ccc2C(=O)[O-])c1C ZINC001595027119 979139203 /nfs/dbraw/zinc/13/92/03/979139203.db2.gz OCASUZKDDYLGCP-SECBINFHSA-N -1 0 336.775 3.733 20 0 EHADRM CC[C@H](C)n1ncc(NCc2ccccc2O[C@H](C)C(=O)[O-])c1C ZINC001595027448 979143690 /nfs/dbraw/zinc/14/36/90/979143690.db2.gz VTEDWDGFOMJGQZ-GXTWGEPZSA-N -1 0 331.416 3.627 20 0 EHADRM O=C([O-])c1cccc(OC(=O)c2c(F)cccc2Br)c1 ZINC000833331459 979162382 /nfs/dbraw/zinc/16/23/82/979162382.db2.gz JTVMNAWGZOSAIB-UHFFFAOYSA-N -1 0 339.116 3.506 20 0 EHADRM CC[C@H](CC(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1)c1ccccc1 ZINC001595033075 979173078 /nfs/dbraw/zinc/17/30/78/979173078.db2.gz CQIQDRTXTICTPW-KUHUBIRLSA-N -1 0 343.398 3.960 20 0 EHADRM CC[C@H](CC(=O)NC[C@](CC)(C(=O)[O-])c1ccccc1)C(C)(C)C ZINC001595033898 979179201 /nfs/dbraw/zinc/17/92/01/979179201.db2.gz SULSXSMCLLSWRO-QRWLVFNGSA-N -1 0 333.472 3.998 20 0 EHADRM CC[C@@H](CC(=O)Oc1ccc(CC(=O)[O-])cc1)c1ccc(OC)cc1 ZINC001595035684 979187318 /nfs/dbraw/zinc/18/73/18/979187318.db2.gz JIYFBAYPSIGYHN-HNNXBMFYSA-N -1 0 342.391 3.812 20 0 EHADRM CC[C@H](CC(F)(F)F)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC001595039660 979216638 /nfs/dbraw/zinc/21/66/38/979216638.db2.gz UKJCRTXBGQZKRJ-ZCFIWIBFSA-N -1 0 336.335 3.636 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)COC(=O)[C@H](C)c1ccc(Cl)s1 ZINC001595041856 979229666 /nfs/dbraw/zinc/22/96/66/979229666.db2.gz YMZRZKHUIBAGAX-SECBINFHSA-N -1 0 346.832 3.508 20 0 EHADRM CC[C@@H](CC(F)F)C(=O)N[C@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC001595042434 979234044 /nfs/dbraw/zinc/23/40/44/979234044.db2.gz LWHWQRBAADUPRC-GXFFZTMASA-N -1 0 345.411 3.722 20 0 EHADRM CC[C@@H](CC(F)F)C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC001595042659 979236951 /nfs/dbraw/zinc/23/69/51/979236951.db2.gz QTBDLWSDAJRLEN-JOYOIKCWSA-N -1 0 333.762 3.653 20 0 EHADRM CC(C)(C)/C=C\C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000836754702 979261240 /nfs/dbraw/zinc/26/12/40/979261240.db2.gz QNXHGXWRJSJRSP-YXVBKTCISA-N -1 0 329.318 3.707 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)CCOc1ccccc1C(C)C ZINC001595049493 979272928 /nfs/dbraw/zinc/27/29/28/979272928.db2.gz NGECLJUYRPJDHG-UHFFFAOYSA-N -1 0 335.444 3.729 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC001595050798 979280450 /nfs/dbraw/zinc/28/04/50/979280450.db2.gz ZACQRHWIJRNDLR-UHFFFAOYSA-N -1 0 345.399 3.860 20 0 EHADRM CCC(CC)(CC)CNC(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001595057927 979304804 /nfs/dbraw/zinc/30/48/04/979304804.db2.gz UGZQZFJSYDPPMV-UHFFFAOYSA-N -1 0 332.444 3.669 20 0 EHADRM O=C([O-])CCCC(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000844244137 979389700 /nfs/dbraw/zinc/38/97/00/979389700.db2.gz AYDRMFGNAIYZMT-MRXNPFEDSA-N -1 0 337.828 3.862 20 0 EHADRM C[C@H](COCc1ccccc1)OC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001592780503 979409506 /nfs/dbraw/zinc/40/95/06/979409506.db2.gz GSLIDCJWHGLBEU-APMMTJHUSA-N -1 0 346.423 3.560 20 0 EHADRM CCC(CC)C(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001595103961 979416901 /nfs/dbraw/zinc/41/69/01/979416901.db2.gz MLMBEMUWXITBFK-HNNXBMFYSA-N -1 0 332.227 3.846 20 0 EHADRM CCC(CC)CCCN(C)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001595110024 979450354 /nfs/dbraw/zinc/45/03/54/979450354.db2.gz UYJBEKUANNLLBR-UHFFFAOYSA-N -1 0 336.432 3.830 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)o1 ZINC000851596490 979510913 /nfs/dbraw/zinc/51/09/13/979510913.db2.gz SGTBRSUVECMIMR-FYGXRCCRSA-N -1 0 343.354 3.788 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)N1CCCc2nc(C(=O)[O-])ccc21 ZINC001595125780 979511235 /nfs/dbraw/zinc/51/12/35/979511235.db2.gz IYTQYUROJLOOGB-CQSZACIVSA-N -1 0 330.428 3.666 20 0 EHADRM CCC(CC)n1nccc1C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1 ZINC001595125990 979514106 /nfs/dbraw/zinc/51/41/06/979514106.db2.gz DCBLSJRVEAAXPN-MRXNPFEDSA-N -1 0 349.475 3.645 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001595126283 979515844 /nfs/dbraw/zinc/51/58/44/979515844.db2.gz NAVGHUSUVVLNFH-INIZCTEOSA-N -1 0 348.374 3.674 20 0 EHADRM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851600102 979518510 /nfs/dbraw/zinc/51/85/10/979518510.db2.gz CECOEBOTJQFJKV-ZANYVSNCSA-N -1 0 343.354 3.535 20 0 EHADRM CC(C)c1ccc(C[C@@H](C)NC(=O)c2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC000851604424 979528429 /nfs/dbraw/zinc/52/84/29/979528429.db2.gz XRVRPCRMNUPNDA-CFRMROPGSA-N -1 0 341.407 3.862 20 0 EHADRM C[C@@H](Cc1ccc(Br)cc1)Nc1cc(C(=O)[O-])ccn1 ZINC001592833302 979569605 /nfs/dbraw/zinc/56/96/05/979569605.db2.gz FCYSMQZOZZNSRP-JTQLQIEISA-N -1 0 335.201 3.585 20 0 EHADRM C[C@](Cc1ccc(Cl)cc1)(NC(=O)CC(C1CC1)C1CC1)C(=O)[O-] ZINC001592838950 979593403 /nfs/dbraw/zinc/59/34/03/979593403.db2.gz SGTDTIMQNLTAME-LJQANCHMSA-N -1 0 349.858 3.668 20 0 EHADRM C[C@](Cc1ccc(Cl)cc1)(NC(=O)[C@@H](F)c1ccccc1)C(=O)[O-] ZINC001592840005 979602393 /nfs/dbraw/zinc/60/23/93/979602393.db2.gz ZNSCWMVELKDGBD-MAUKXSAKSA-N -1 0 349.789 3.553 20 0 EHADRM C[C@H]1CCCCN1C(=O)c1ccc(NCc2ccc(C(=O)[O-])o2)cc1 ZINC000859798607 979634756 /nfs/dbraw/zinc/63/47/56/979634756.db2.gz CVSOOOCKGSSYIY-ZDUSSCGKSA-N -1 0 342.395 3.605 20 0 EHADRM Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(C(=O)[O-])s1 ZINC000862241834 979657050 /nfs/dbraw/zinc/65/70/50/979657050.db2.gz KYDXRDQAEAJHCP-UHFFFAOYSA-N -1 0 341.392 3.501 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)Cc2cnc3ccccc3c2)cc1)C(=O)[O-] ZINC001592858241 979671102 /nfs/dbraw/zinc/67/11/02/979671102.db2.gz GQHLOLSRMSXQGL-CQSZACIVSA-N -1 0 348.402 3.679 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N2CCC(F)(C3CC3)CC2)cc1)C(=O)[O-] ZINC001592860060 979687279 /nfs/dbraw/zinc/68/72/79/979687279.db2.gz DTZQJRJYBITSJO-CYBMUJFWSA-N -1 0 348.418 3.696 20 0 EHADRM Cc1ccccc1C1CCN(C(=O)/C=C\c2cc(C(=O)[O-])co2)CC1 ZINC000864109445 979699833 /nfs/dbraw/zinc/69/98/33/979699833.db2.gz SVBOLRNOVQATPH-SREVYHEPSA-N -1 0 339.391 3.706 20 0 EHADRM CC[C@](CNC(=O)c1cccc(C(C)C)c1)(C(=O)[O-])c1ccccc1 ZINC001595164554 979707388 /nfs/dbraw/zinc/70/73/88/979707388.db2.gz ZMNJVNFFYKIQIH-OAQYLSRUSA-N -1 0 339.435 3.972 20 0 EHADRM O=C([O-])CCCCCCNC(=O)CCc1cccc2ccccc21 ZINC000864120077 979715353 /nfs/dbraw/zinc/71/53/53/979715353.db2.gz CIJUXOHZUGRHNL-UHFFFAOYSA-N -1 0 327.424 3.924 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)NC[C@H]2CCCC23CC3)cc1)C(=O)[O-] ZINC001592867924 979717144 /nfs/dbraw/zinc/71/71/44/979717144.db2.gz SQKCRIGZIVJXKC-UKRRQHHQSA-N -1 0 330.428 3.652 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N2CC[C@@H]3CCCC[C@@H]32)cc1)C(=O)[O-] ZINC001592868393 979720111 /nfs/dbraw/zinc/72/01/11/979720111.db2.gz YIAXNLLCUMQMRX-KMFMINBZSA-N -1 0 330.428 3.746 20 0 EHADRM O=C(/C=C\c1cc(C(=O)[O-])co1)N[C@@H](c1ccccc1)C1CCC1 ZINC000864128311 979728403 /nfs/dbraw/zinc/72/84/03/979728403.db2.gz AXLSAEYCANBKMW-LPADLIQXSA-N -1 0 325.364 3.649 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000864133078 979735276 /nfs/dbraw/zinc/73/52/76/979735276.db2.gz YTPAKVXJXRTGSL-NQIIRXRSSA-N -1 0 345.483 3.995 20 0 EHADRM CC(C)n1ncc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1Cl ZINC000864135657 979738101 /nfs/dbraw/zinc/73/81/01/979738101.db2.gz NQDVUFPAOKJMCU-LLVKDONJSA-N -1 0 349.818 3.633 20 0 EHADRM CC[C@H](COC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)[O-] ZINC001595180979 979792817 /nfs/dbraw/zinc/79/28/17/979792817.db2.gz BIYVRFLLMODZNU-SNVBAGLBSA-N -1 0 332.377 3.575 20 0 EHADRM CC1(C)C=Cc2cccc(NC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)c2O1 ZINC000864194910 979854792 /nfs/dbraw/zinc/85/47/92/979854792.db2.gz QZPDEYNQDZYPGA-ZIAGYGMSSA-N -1 0 329.396 3.700 20 0 EHADRM C[C@H](Cc1cncc2ccccc21)C(=O)Nc1ccsc1C(=O)[O-] ZINC001592908703 979866464 /nfs/dbraw/zinc/86/64/64/979866464.db2.gz HNBDEEXTYAAGHU-LLVKDONJSA-N -1 0 340.404 3.812 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N[C@@](C)(CC(=O)[O-])C1CC1 ZINC000864199183 979873194 /nfs/dbraw/zinc/87/31/94/979873194.db2.gz DYQJIZDWKSTDGZ-UZLBHIALSA-N -1 0 347.455 3.727 20 0 EHADRM C[C@H](Cc1cncc2ccccc21)C(=O)O[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001592909451 979873704 /nfs/dbraw/zinc/87/37/04/979873704.db2.gz XUSIUTUDMLRANE-XWIAVFTESA-N -1 0 341.407 3.600 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCC(Cc2ccccc2Cl)CC1 ZINC000864216303 979904640 /nfs/dbraw/zinc/90/46/40/979904640.db2.gz FFGSAFHUYDGGMW-UHFFFAOYSA-N -1 0 337.847 3.766 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Nc2ccc(C3CC3)cc2F)cc1 ZINC000864220866 979908904 /nfs/dbraw/zinc/90/89/04/979908904.db2.gz FKLSIVZCQLUFFE-UHFFFAOYSA-N -1 0 327.355 3.973 20 0 EHADRM Cc1cc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cc(C)c1F ZINC000864227437 979915637 /nfs/dbraw/zinc/91/56/37/979915637.db2.gz ZCLLVAIHGCSMND-CQSZACIVSA-N -1 0 327.355 3.661 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1 ZINC000864229054 979922581 /nfs/dbraw/zinc/92/25/81/979922581.db2.gz IGOLQTQLKAVCEH-ROUUACIJSA-N -1 0 347.455 3.755 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc(F)c(C(F)F)c1)C(=O)[O-] ZINC000864607164 979949241 /nfs/dbraw/zinc/94/92/41/979949241.db2.gz LJSKMRWZWBAULH-UHFFFAOYSA-N -1 0 332.322 3.776 20 0 EHADRM CC[C@H](CSc1ccccc1)NC(=O)c1ccc(C(=O)[O-])cc1F ZINC001595203684 979967590 /nfs/dbraw/zinc/96/75/90/979967590.db2.gz RQCIEQIWZJQKME-CYBMUJFWSA-N -1 0 347.411 3.825 20 0 EHADRM CC[C@H](CSc1ccccc1)NC(=O)c1ccsc1CC(=O)[O-] ZINC001595203876 979969223 /nfs/dbraw/zinc/96/92/23/979969223.db2.gz VGAKSFSNSNYCGM-GFCCVEGCSA-N -1 0 349.477 3.676 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N1CCCc2ccc(C(=O)[O-])cc21 ZINC001595210084 979982753 /nfs/dbraw/zinc/98/27/53/979982753.db2.gz BKPHVSRCPOSGBJ-MRXNPFEDSA-N -1 0 337.419 3.933 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC001595210340 979983487 /nfs/dbraw/zinc/98/34/87/979983487.db2.gz DEUAATAWPBIMOS-INIZCTEOSA-N -1 0 337.419 3.538 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)Oc1ccc(CC(=O)[O-])cc1F ZINC001595211743 979993909 /nfs/dbraw/zinc/99/39/09/979993909.db2.gz VBFXMHJQIAUSOB-INIZCTEOSA-N -1 0 344.382 3.936 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001595211704 979994087 /nfs/dbraw/zinc/99/40/87/979994087.db2.gz UQFBTUFWXQFEKG-INIZCTEOSA-N -1 0 343.423 3.822 20 0 EHADRM CC(F)(F)c1c(F)cccc1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001592943622 980014946 /nfs/dbraw/zinc/01/49/46/980014946.db2.gz KJYLROCEUVVRJE-UWVGGRQHSA-N -1 0 329.318 3.767 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)NCc1ccccc1F ZINC000579803295 1014615994 /nfs/dbraw/zinc/61/59/94/1014615994.db2.gz RSCHYEGPWSRDPO-KRWDZBQOSA-N -1 0 344.386 3.573 20 0 EHADRM O=C([O-])c1csc(NC(=O)Cc2csc(C3CCCC3)n2)c1 ZINC000872718629 980099343 /nfs/dbraw/zinc/09/93/43/980099343.db2.gz BPEVQZDLUQIQFD-UHFFFAOYSA-N -1 0 336.438 3.742 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1cccc(OC(C)(C)C)c1 ZINC000872728317 980117494 /nfs/dbraw/zinc/11/74/94/980117494.db2.gz GEHKRJISIJQKBB-UHFFFAOYSA-N -1 0 343.379 3.823 20 0 EHADRM CC[C@@](NC(=O)C1C(C)(C)C1(C)C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595236550 980136784 /nfs/dbraw/zinc/13/67/84/980136784.db2.gz HXWWKKIDZZLEHH-SFHVURJKSA-N -1 0 337.847 3.828 20 0 EHADRM CC[C@@](NC(=O)CCCSC(C)(C)C)(C(=O)[O-])c1ccccc1 ZINC001595238796 980157770 /nfs/dbraw/zinc/15/77/70/980157770.db2.gz ZUZDWHJYXPHAJJ-SFHVURJKSA-N -1 0 337.485 3.805 20 0 EHADRM O=C([O-])CCCC(=O)NC1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000872974307 980161055 /nfs/dbraw/zinc/16/10/55/980161055.db2.gz KMPXDRRPZFBUPJ-UHFFFAOYSA-N -1 0 349.736 3.719 20 0 EHADRM CC[C@H](NC(=O)Nc1cc(C(=O)[O-])ccc1C)c1c(C)noc1C ZINC001595251487 980212794 /nfs/dbraw/zinc/21/27/94/980212794.db2.gz BNLWJPGYPOKLPW-ZDUSSCGKSA-N -1 0 331.372 3.571 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCc1ccc(C(F)F)cc1)C1CCCC1 ZINC000887326767 980218724 /nfs/dbraw/zinc/21/87/24/980218724.db2.gz MJGSBMPSYVVGGL-OAHLLOKOSA-N -1 0 339.382 3.707 20 0 EHADRM CC[C@@H](NC(=O)NCc1ccc(C(=O)[O-])s1)c1ccc(C)cc1 ZINC001595253297 980229111 /nfs/dbraw/zinc/22/91/11/980229111.db2.gz QPCZSUASGSYYTM-CQSZACIVSA-N -1 0 332.425 3.705 20 0 EHADRM C[C@H](CC(=O)N[C@H](C)c1ccc(OCC(=O)[O-])cc1)C1CCCCC1 ZINC001593010356 980241861 /nfs/dbraw/zinc/24/18/61/980241861.db2.gz FSVGIHHIFIHYLQ-HUUCEWRRSA-N -1 0 347.455 3.934 20 0 EHADRM C[C@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)C1CCC(F)(F)CC1 ZINC001593020078 980278191 /nfs/dbraw/zinc/27/81/91/980278191.db2.gz UHYNYJCWVXNIQI-LBPRGKRZSA-N -1 0 339.382 3.648 20 0 EHADRM CC[C@@H](NC(=O)c1cccc(CC(=O)[O-])c1)c1cccc(Cl)c1 ZINC001595270169 980285314 /nfs/dbraw/zinc/28/53/14/980285314.db2.gz AKHUBRIAYKDFJN-MRXNPFEDSA-N -1 0 331.799 3.848 20 0 EHADRM C[C@@H](NC(=O)Cc1ccc(C(=O)[O-])cc1)c1ccc(Cl)c(F)c1 ZINC001593039697 980318731 /nfs/dbraw/zinc/31/87/31/980318731.db2.gz DKRDWDHPNSJIMH-SNVBAGLBSA-N -1 0 335.762 3.597 20 0 EHADRM C[C@@](NC(=O)Cc1ccc(C2CCCCC2)cc1)(C(=O)[O-])C1CC1 ZINC001593040584 980325414 /nfs/dbraw/zinc/32/54/14/980325414.db2.gz UNAZABGARRZETG-FQEVSTJZSA-N -1 0 329.440 3.646 20 0 EHADRM COc1ccc([C@H](N[C@H](CCc2ccccc2)C(F)F)C(=O)[O-])cc1 ZINC000901642937 980422353 /nfs/dbraw/zinc/42/23/53/980422353.db2.gz WKJZTCDYQWIRRE-SJORKVTESA-N -1 0 349.377 3.677 20 0 EHADRM CCCn1nccc1CNc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC000901773661 980503729 /nfs/dbraw/zinc/50/37/29/980503729.db2.gz GBCVDUAHJPVQAU-UHFFFAOYSA-N -1 0 342.443 3.594 20 0 EHADRM Cc1ncsc1CNc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC000901774415 980504700 /nfs/dbraw/zinc/50/47/00/980504700.db2.gz IOGIYMRRVLPYJP-UHFFFAOYSA-N -1 0 331.441 3.752 20 0 EHADRM O=C([O-])[C@@H](CC(F)(F)F)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000901781073 980511874 /nfs/dbraw/zinc/51/18/74/980511874.db2.gz WMKDICAXFDUYFW-GFCCVEGCSA-N -1 0 331.265 3.581 20 0 EHADRM CC[C@@H](OC(=O)c1csc(N(C)c2ccccc2)n1)[C@H](C)C(=O)[O-] ZINC001595354491 980692046 /nfs/dbraw/zinc/69/20/46/980692046.db2.gz XQKSQOJFHXBSOD-SMDDNHRTSA-N -1 0 348.424 3.567 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC001595355085 980699346 /nfs/dbraw/zinc/69/93/46/980699346.db2.gz NDPHRZRICHSEKB-PVAVHDDUSA-N -1 0 339.476 3.606 20 0 EHADRM CO[C@@H]1CCN(Cc2ccc(-c3ccccc3Cl)o2)[C@@H](C(=O)[O-])C1 ZINC000902032045 980704292 /nfs/dbraw/zinc/70/42/92/980704292.db2.gz OYPACBFNXLOBCI-MLGOLLRUSA-N -1 0 349.814 3.664 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)Nc1scc(C)c1C(=O)[O-] ZINC001595355942 980707220 /nfs/dbraw/zinc/70/72/20/980707220.db2.gz SJBSNOLVPDGDGI-GFCCVEGCSA-N -1 0 325.430 3.821 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC001595356865 980716830 /nfs/dbraw/zinc/71/68/30/980716830.db2.gz QSRAHYXTZXYWLL-INIZCTEOSA-N -1 0 331.343 3.628 20 0 EHADRM CCOc1ccc(NCc2ccc(/C=C\C(=O)[O-])o2)cc1OCC ZINC000902063758 980718123 /nfs/dbraw/zinc/71/81/23/980718123.db2.gz YMAORWFQEHJYMC-NTMALXAHSA-N -1 0 331.368 3.787 20 0 EHADRM CC(C)(CC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)CC(F)(F)F ZINC000902069614 980719744 /nfs/dbraw/zinc/71/97/44/980719744.db2.gz MPGNVUCDTFBZFX-CYBMUJFWSA-N -1 0 343.345 3.566 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)OCc1cc(C(=O)[O-])ccc1C ZINC001595357295 980720934 /nfs/dbraw/zinc/72/09/34/980720934.db2.gz XIGPYJXQOWNVSO-KRWDZBQOSA-N -1 0 334.412 3.864 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC001595358209 980729719 /nfs/dbraw/zinc/72/97/19/980729719.db2.gz FORWWKHYKZGRPH-IRXDYDNUSA-N -1 0 343.448 3.842 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001595358312 980731096 /nfs/dbraw/zinc/73/10/96/980731096.db2.gz ATAPDLSJXIIFTK-OAHLLOKOSA-N -1 0 335.469 3.851 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC001595358455 980732482 /nfs/dbraw/zinc/73/24/82/980732482.db2.gz KLTKXJNYYIAYSR-HZPDHXFCSA-N -1 0 335.469 3.707 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1ccsc1 ZINC001595358774 980735080 /nfs/dbraw/zinc/73/50/80/980735080.db2.gz JCAROICLTOKXHN-KGLIPLIRSA-N -1 0 336.434 3.988 20 0 EHADRM CNC(=O)c1ccc(C)c(N[C@@H]2CCC[C@H](CCCC(=O)[O-])C2)c1 ZINC000902104372 980735854 /nfs/dbraw/zinc/73/58/54/980735854.db2.gz KZAOIYYBCPKMOR-GDBMZVCRSA-N -1 0 332.444 3.580 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccc(C(C)C)nc1 ZINC001595360482 980752330 /nfs/dbraw/zinc/75/23/30/980752330.db2.gz IEDARCNWUQFTAR-SFHVURJKSA-N -1 0 340.423 3.883 20 0 EHADRM C[C@@H](CC(C)(C)CC(=O)[O-])Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000902147571 980757403 /nfs/dbraw/zinc/75/74/03/980757403.db2.gz JQDNAMDNVOAPJN-WMLDXEAASA-N -1 0 335.444 3.936 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@@H](C)OCCC(C)C ZINC001595361721 980764474 /nfs/dbraw/zinc/76/44/74/980764474.db2.gz NCFCYYMGVBLJMY-NVXWUHKLSA-N -1 0 335.444 3.502 20 0 EHADRM CC[C@H](c1ccccc1OC)N(C)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC001595364649 980796107 /nfs/dbraw/zinc/79/61/07/980796107.db2.gz ZHUOKCJMQDCYBL-CQSZACIVSA-N -1 0 345.399 3.645 20 0 EHADRM O=C([O-])CCC[C@@H]1CCC[C@H](Nc2ccc3c(c2)NC(=O)CC3)C1 ZINC000902261042 980805267 /nfs/dbraw/zinc/80/52/67/980805267.db2.gz HULVAYVLIZSYFO-ZFWWWQNUSA-N -1 0 330.428 3.797 20 0 EHADRM CC(=O)N(C)c1cccc(N[C@H]2CCC[C@@H](CCCC(=O)[O-])C2)c1 ZINC000902294612 980821150 /nfs/dbraw/zinc/82/11/50/980821150.db2.gz WTKBRRBNHHKNOI-HOTGVXAUSA-N -1 0 332.444 3.895 20 0 EHADRM CCC1(C(=O)OCc2c3ccccc3sc2C(=O)[O-])CCOCC1 ZINC001595369094 980834549 /nfs/dbraw/zinc/83/45/49/980834549.db2.gz TXLZGGXLTTVKEC-UHFFFAOYSA-N -1 0 348.420 3.850 20 0 EHADRM CC[C@@]1(C)CCN(C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)C1 ZINC001595371000 980846459 /nfs/dbraw/zinc/84/64/59/980846459.db2.gz LZFTUTSUHGFGHK-SFHVURJKSA-N -1 0 334.416 3.826 20 0 EHADRM CC[C@@H](NCc1cc(C(=O)[O-])co1)c1nc(C(F)(F)F)cs1 ZINC000902363681 980853049 /nfs/dbraw/zinc/85/30/49/980853049.db2.gz JRBJZVYWUKTPMO-SECBINFHSA-N -1 0 334.319 3.694 20 0 EHADRM CC[C@@]1(C)Oc2ccc(NC(=O)c3ccsc3C(=O)[O-])cc2O1 ZINC001595372303 980860762 /nfs/dbraw/zinc/86/07/62/980860762.db2.gz DJIQKFMIIXNYBK-INIZCTEOSA-N -1 0 333.365 3.596 20 0 EHADRM CC[C@@]1(C)Oc2ccc(N[C@H](C)c3cncc(C(=O)[O-])c3)cc2O1 ZINC001595372828 980866328 /nfs/dbraw/zinc/86/63/28/980866328.db2.gz WKHDCAWLQDLPJU-ZMZPIMSZSA-N -1 0 328.368 3.850 20 0 EHADRM CCC1(CC)[C@H](Nc2cc(C(F)(F)F)c(C(=O)[O-])cn2)C[C@H]1OC ZINC001595373650 980875245 /nfs/dbraw/zinc/87/52/45/980875245.db2.gz NCASRMIJIHPKTJ-VXGBXAGGSA-N -1 0 346.349 3.804 20 0 EHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@H]1NCC(F)(F)c1cc(F)cc(F)c1 ZINC000902507363 980914044 /nfs/dbraw/zinc/91/40/44/980914044.db2.gz RISQFPOCRBNNHH-GPCCPHFNSA-N -1 0 333.325 3.536 20 0 EHADRM CC[C@@H](CNC(=O)c1sc2cccc(F)c2c1Cl)C(=O)[O-] ZINC000902843632 980945557 /nfs/dbraw/zinc/94/55/57/980945557.db2.gz VUBXTYPWEIEHRG-ZETCQYMHSA-N -1 0 329.780 3.534 20 0 EHADRM C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000902840065 980945672 /nfs/dbraw/zinc/94/56/72/980945672.db2.gz XMIHYTHYGKWREI-DDBAPUKQSA-N -1 0 329.440 3.672 20 0 EHADRM CC[C@H]1C[C@H](CC(=O)Oc2ccc(C(=O)[O-])cc2Cl)CCO1 ZINC001595412271 981009539 /nfs/dbraw/zinc/00/95/39/981009539.db2.gz BLONYEGZDCMRCK-PWSUYJOCSA-N -1 0 326.776 3.539 20 0 EHADRM CC[C@@H]1C[C@@H](CC(=O)Nc2ccc(Cl)cc2C(=O)[O-])CCO1 ZINC001595412792 981011645 /nfs/dbraw/zinc/01/16/45/981011645.db2.gz FGSQCJQECYDMOT-CMPLNLGQSA-N -1 0 325.792 3.572 20 0 EHADRM CC[C@@H]1CC[C@@H](C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2Cl)O1 ZINC001595415582 981028567 /nfs/dbraw/zinc/02/85/67/981028567.db2.gz HLEDREDFMDVZDJ-WLTAIBSBSA-N -1 0 347.194 3.620 20 0 EHADRM CCC1CCC(CNC(=O)NCCCCC2(C(=O)[O-])CCC2)CC1 ZINC001595416551 981033150 /nfs/dbraw/zinc/03/31/50/981033150.db2.gz WXJJDTDOWMXEKO-UHFFFAOYSA-N -1 0 338.492 3.927 20 0 EHADRM CCC1CCC(NC(=O)[C@H](C)CCc2cccc(F)c2)(C(=O)[O-])CC1 ZINC001595420333 981034524 /nfs/dbraw/zinc/03/45/24/981034524.db2.gz DGYSSEDBDCVLOB-ZUIJCZDSSA-N -1 0 349.446 3.934 20 0 EHADRM CCC1CCC(NC(=O)CCc2cc(Cl)cs2)(C(=O)[O-])CC1 ZINC001595420805 981038610 /nfs/dbraw/zinc/03/86/10/981038610.db2.gz JCYNRESJPINXLL-UHFFFAOYSA-N -1 0 343.876 3.874 20 0 EHADRM CC[C@@H]1CCC[C@]1(C)C(=O)N[C@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001595436778 981071191 /nfs/dbraw/zinc/07/11/91/981071191.db2.gz VWTNFXVDFTUZMZ-PYQAKABTSA-N -1 0 331.456 3.651 20 0 EHADRM CC[C@@H]1CCCC[C@H]1CNC(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001595442340 981082375 /nfs/dbraw/zinc/08/23/75/981082375.db2.gz ZDHPUTVEGDMBIA-OCCSQVGLSA-N -1 0 336.407 3.540 20 0 EHADRM CC[C@H]1CCCC[C@@H]1N(C)C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001595444003 981084877 /nfs/dbraw/zinc/08/48/77/981084877.db2.gz HASVAKLSXVTOIT-YOEHRIQHSA-N -1 0 342.439 3.767 20 0 EHADRM Cc1nn(CCC(=O)[O-])c(C)c1CNc1cccc(OC(C)(C)C)c1 ZINC000905786844 981150364 /nfs/dbraw/zinc/15/03/64/981150364.db2.gz SNUYZELHJHOACW-UHFFFAOYSA-N -1 0 345.443 3.764 20 0 EHADRM C[C@](CNC(=O)c1ccccc1C1CCC1)(C(=O)[O-])c1ccccc1 ZINC000907645614 981204129 /nfs/dbraw/zinc/20/41/29/981204129.db2.gz IMBHMMVEPUTNGS-OAQYLSRUSA-N -1 0 337.419 3.726 20 0 EHADRM CC[C@@H]1CN([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)C[C@H](CC)O1 ZINC001595482954 981210109 /nfs/dbraw/zinc/21/01/09/981210109.db2.gz JADQLZOIAXBVBH-TYNCELHUSA-N -1 0 345.361 3.721 20 0 EHADRM CC1=C(C)C[C@@](C)(C(=O)N2CCc3c(cccc3C(=O)[O-])C2)CC1 ZINC000907719586 981210940 /nfs/dbraw/zinc/21/09/40/981210940.db2.gz QOHZNLNRVUEXOA-FQEVSTJZSA-N -1 0 327.424 3.796 20 0 EHADRM CC(C)Cc1ccc(C(=O)Nc2nc(CCC(=O)[O-])cs2)s1 ZINC000907768188 981217158 /nfs/dbraw/zinc/21/71/58/981217158.db2.gz WKXHZHXXDDETFJ-UHFFFAOYSA-N -1 0 338.454 3.673 20 0 EHADRM CC(C)(C)CC(C)(C)C(=O)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC000907787376 981219580 /nfs/dbraw/zinc/21/95/80/981219580.db2.gz BDLXLLQVQKKSLO-NSHDSACASA-N -1 0 338.473 3.620 20 0 EHADRM Cc1cccc(C)c1CN(C)C(=O)c1ccccc1CCC(=O)[O-] ZINC000907887710 981237635 /nfs/dbraw/zinc/23/76/35/981237635.db2.gz FXCUFUBGQFZPAP-UHFFFAOYSA-N -1 0 325.408 3.593 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)c3cccc(C4CCCC4)c3)[C@@H]2C1 ZINC000907946406 981244104 /nfs/dbraw/zinc/24/41/04/981244104.db2.gz OWOWBVHETMIMGP-TVFCKZIOSA-N -1 0 327.424 3.573 20 0 EHADRM CC[C@H]1c2ccccc2CCN1C(=O)Nc1cc(C)c(C(=O)[O-])cn1 ZINC001595504607 981279372 /nfs/dbraw/zinc/27/93/72/981279372.db2.gz OKJQVYWONYNEEZ-INIZCTEOSA-N -1 0 339.395 3.630 20 0 EHADRM CC/C=C(/C)C(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC001595507330 981289333 /nfs/dbraw/zinc/28/93/33/981289333.db2.gz DNPFRRYRLTUOAS-WZUFQYTHSA-N -1 0 330.409 3.727 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)[C@H](c2ccccc2)C2CC2)CCC1 ZINC000908339002 981303697 /nfs/dbraw/zinc/30/36/97/981303697.db2.gz UDFBWCREMCGDBT-QGZVFWFLSA-N -1 0 329.440 3.722 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)c2cc(Cl)ccc2F)CCC1 ZINC000908343191 981306029 /nfs/dbraw/zinc/30/60/29/981306029.db2.gz NTLIREYNJPZLQS-UHFFFAOYSA-N -1 0 327.783 3.634 20 0 EHADRM Cc1occc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000908408622 981313060 /nfs/dbraw/zinc/31/30/60/981313060.db2.gz PSJBZMUCRBLTNU-ZDUSSCGKSA-N -1 0 341.285 3.553 20 0 EHADRM COc1c(NC(=O)c2cccc(OCC(C)C)c2)cccc1C(=O)[O-] ZINC000908506243 981319240 /nfs/dbraw/zinc/31/92/40/981319240.db2.gz CXHGZJQIXJVWKB-UHFFFAOYSA-N -1 0 343.379 3.681 20 0 EHADRM COc1c(NC(=O)c2sc(C(C)C)nc2C)cccc1C(=O)[O-] ZINC000908509040 981320809 /nfs/dbraw/zinc/32/08/09/981320809.db2.gz ZLKBMKMYKWBOFX-UHFFFAOYSA-N -1 0 334.397 3.534 20 0 EHADRM CCc1ccc(CN(C)C(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1 ZINC000908698397 981340999 /nfs/dbraw/zinc/34/09/99/981340999.db2.gz YFDRYCZKWPYLCQ-UHFFFAOYSA-N -1 0 329.440 3.633 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)Nc1ccc(C)cc1OCc1ccccc1 ZINC000908727248 981348953 /nfs/dbraw/zinc/34/89/53/981348953.db2.gz HMVLECPTWKJBOQ-HNNXBMFYSA-N -1 0 327.380 3.623 20 0 EHADRM CCOc1cccc([C@@H](C)NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC000908748299 981352678 /nfs/dbraw/zinc/35/26/78/981352678.db2.gz CYTQECYGGAXQCN-WPUWVODUSA-N -1 0 345.439 3.688 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)Nc1cc(C)ccc1SCC(F)(F)F ZINC000908814701 981367517 /nfs/dbraw/zinc/36/75/17/981367517.db2.gz RRTLTLJIEZNQGM-VIFPVBQESA-N -1 0 335.347 3.699 20 0 EHADRM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)C23CCC(C(=O)[O-])(CC2)C3)C1 ZINC000908820380 981367846 /nfs/dbraw/zinc/36/78/46/981367846.db2.gz MHJLQIBHEYLWGK-SHEVMCDFSA-N -1 0 341.451 3.735 20 0 EHADRM CCC(CC)c1cc(CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)on1 ZINC000908826506 981369389 /nfs/dbraw/zinc/36/93/89/981369389.db2.gz VUGRIJGULGWTQR-UHFFFAOYSA-N -1 0 348.443 3.620 20 0 EHADRM Cc1c(C(=O)Nc2cccc(C(=O)[O-])c2C)cnn1C1CCCCC1 ZINC000908844584 981376738 /nfs/dbraw/zinc/37/67/38/981376738.db2.gz SFRRDSJSDFAJRG-UHFFFAOYSA-N -1 0 341.411 3.956 20 0 EHADRM CC(C)c1ccc2occ(C(=O)N3CCSC[C@H]3CC(=O)[O-])c2c1 ZINC000909008560 981402471 /nfs/dbraw/zinc/40/24/71/981402471.db2.gz CHUFRUULTZIZLJ-CYBMUJFWSA-N -1 0 347.436 3.589 20 0 EHADRM CCC[C@@](C)(NC(=O)CCC(=O)c1ccc2ccccc2c1)C(=O)[O-] ZINC001595546908 981415600 /nfs/dbraw/zinc/41/56/00/981415600.db2.gz HYAAEAFUYUEMOO-HXUWFJFHSA-N -1 0 341.407 3.562 20 0 EHADRM Cc1nn(C(C)C)c(C)c1CC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000909111928 981420450 /nfs/dbraw/zinc/42/04/50/981420450.db2.gz XBMUZYYDIXFJPN-UHFFFAOYSA-N -1 0 349.818 3.614 20 0 EHADRM Cc1cc(NC(=O)[C@H](C)[C@H]2OCCc3sccc32)ccc1C(=O)[O-] ZINC000909222229 981435391 /nfs/dbraw/zinc/43/53/91/981435391.db2.gz DXYYSHRKINHXFA-BDJLRTHQSA-N -1 0 345.420 3.643 20 0 EHADRM CC1(C)C[C@@H](C(=O)Nc2cc(C(=O)[O-])ccc2F)c2ccccc2O1 ZINC000909322322 981468130 /nfs/dbraw/zinc/46/81/30/981468130.db2.gz WMWIYAHCQXBWJG-CYBMUJFWSA-N -1 0 343.354 3.807 20 0 EHADRM CC(C)c1ncsc1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000909330754 981469419 /nfs/dbraw/zinc/46/94/19/981469419.db2.gz ACKBQLCAXHTMIH-UHFFFAOYSA-N -1 0 348.424 3.762 20 0 EHADRM CCC[C@@H](C)[C@@H]1CCCN1C(=O)Nc1cccc(C(=O)[O-])c1OC ZINC001595571841 981481279 /nfs/dbraw/zinc/48/12/79/981481279.db2.gz LUDGJOMEUYHVBT-DOMZBBRYSA-N -1 0 334.416 3.826 20 0 EHADRM O=C([O-])C12CCC(C(=O)NCCc3ccc4ccccc4c3)(CC1)C2 ZINC000909401526 981484503 /nfs/dbraw/zinc/48/45/03/981484503.db2.gz COTIUYSJNVRICJ-UHFFFAOYSA-N -1 0 337.419 3.534 20 0 EHADRM CC(C)[C@H]1C[C@@H](CC(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)CCO1 ZINC000909523563 981529113 /nfs/dbraw/zinc/52/91/13/981529113.db2.gz OMWXZJSCCCMNBE-UWWQBHOKSA-N -1 0 347.455 3.730 20 0 EHADRM CCC[C@@H](CC1CCCCC1)C(=O)NCc1ccnc(C(=O)[O-])c1 ZINC001595587147 981539377 /nfs/dbraw/zinc/53/93/77/981539377.db2.gz CNCMBDJJSBPXHW-INIZCTEOSA-N -1 0 332.444 3.783 20 0 EHADRM CCC[C@@H](CC)SCc1c(C(=O)[O-])sc(N)c1C(=O)OC ZINC001595587170 981539442 /nfs/dbraw/zinc/53/94/42/981539442.db2.gz DGNUEBPCAOOZPY-MRVPVSSYSA-N -1 0 331.459 3.627 20 0 EHADRM CC(C)c1cc(Br)ccc1NC(=O)[C@H](C)CC(=O)[O-] ZINC000909555385 981539951 /nfs/dbraw/zinc/53/99/51/981539951.db2.gz QEEOSLNTUXMEOP-SECBINFHSA-N -1 0 328.206 3.622 20 0 EHADRM CCC[C@H](NC(=O)Nc1cnc(C)c(C(=O)[O-])c1)c1ccccc1 ZINC001595599653 981572998 /nfs/dbraw/zinc/57/29/98/981572998.db2.gz DOZMGGURXLPBRR-INIZCTEOSA-N -1 0 327.384 3.751 20 0 EHADRM CCC[C@@H](NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)C(C)(C)C ZINC001595600107 981576860 /nfs/dbraw/zinc/57/68/60/981576860.db2.gz KUPJVSMDDIGIPI-CYBMUJFWSA-N -1 0 328.359 3.999 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)N[C@H]1CCCc2sccc21 ZINC000909725430 981580627 /nfs/dbraw/zinc/58/06/27/981580627.db2.gz XRWQRHJQMMYQPT-HNNXBMFYSA-N -1 0 329.421 3.573 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)N[C@@H]1CCCc2sccc21 ZINC000909725431 981580856 /nfs/dbraw/zinc/58/08/56/981580856.db2.gz XRWQRHJQMMYQPT-OAHLLOKOSA-N -1 0 329.421 3.573 20 0 EHADRM CC(C)(C)[C@H]1CN(C(=O)c2ccoc2CC(=O)[O-])c2ccccc21 ZINC000909730369 981583404 /nfs/dbraw/zinc/58/34/04/981583404.db2.gz HYOURXSWTZQEOP-AWEZNQCLSA-N -1 0 327.380 3.697 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N1CCC(c2cccc(Cl)c2Cl)CC1 ZINC001594743186 981621704 /nfs/dbraw/zinc/62/17/04/981621704.db2.gz MPBXERVXTYGLCG-NSHDSACASA-N -1 0 344.238 3.810 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N1CCCCC[C@@H]1Cc1ccccc1Cl ZINC001594743470 981624094 /nfs/dbraw/zinc/62/40/94/981624094.db2.gz SERKSHSQMKJMDZ-CABCVRRESA-N -1 0 337.847 3.765 20 0 EHADRM Cc1ccc2c(c1)CC[C@@H](C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1)O2 ZINC000909835613 981655025 /nfs/dbraw/zinc/65/50/25/981655025.db2.gz UHUDHCYISXZAJV-UGSOOPFHSA-N -1 0 339.391 3.515 20 0 EHADRM Cc1ccc2c(c1)CC[C@H](C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1)O2 ZINC000909836304 981656566 /nfs/dbraw/zinc/65/65/66/981656566.db2.gz OHJQJRGDQDMEIX-SCLBCKFNSA-N -1 0 339.391 3.515 20 0 EHADRM CCC[C@@]1(COC)CCCN1C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC001595618190 981662528 /nfs/dbraw/zinc/66/25/28/981662528.db2.gz NYERLDXLIOQLRT-KUHUBIRLSA-N -1 0 348.443 3.688 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)N1CCc2sc(Cl)cc2C1 ZINC000909859900 981684468 /nfs/dbraw/zinc/68/44/68/981684468.db2.gz YVKBSOFVXUCCMF-UHFFFAOYSA-N -1 0 349.839 3.617 20 0 EHADRM CCCC1CCC(NC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CC1 ZINC001595620280 981688011 /nfs/dbraw/zinc/68/80/11/981688011.db2.gz CCIQXXXTHDFIHB-UHFFFAOYSA-N -1 0 336.407 3.933 20 0 EHADRM CCC[C@H]1C[C@@H](C(=O)OCc2cc(C(=O)[O-])ccc2Cl)CCO1 ZINC001595620531 981690696 /nfs/dbraw/zinc/69/06/96/981690696.db2.gz LFOSSQXABDJOFU-JSGCOSHPSA-N -1 0 340.803 3.677 20 0 EHADRM CCC[C@@H]1C[C@@H](C(=O)OCc2cc(C(=O)[O-])ccc2Cl)CCO1 ZINC001595620530 981690726 /nfs/dbraw/zinc/69/07/26/981690726.db2.gz LFOSSQXABDJOFU-GXTWGEPZSA-N -1 0 340.803 3.677 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)Nc1ccc(Oc2cccc(OC)c2)cc1 ZINC001594760356 981690986 /nfs/dbraw/zinc/69/09/86/981690986.db2.gz XRTLHKGKSAAYHJ-INIZCTEOSA-N -1 0 329.352 3.537 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C(C)C ZINC001594762314 981697927 /nfs/dbraw/zinc/69/79/27/981697927.db2.gz TXNXEJHADYQBRE-ZDUSSCGKSA-N -1 0 349.818 3.698 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1nc2c(s1)C[C@H](C(C)(C)CC)CC2 ZINC001594762599 981698607 /nfs/dbraw/zinc/69/86/07/981698607.db2.gz WXDSOZBUALCCEG-GHMZBOCLSA-N -1 0 338.473 3.734 20 0 EHADRM Cc1ccsc1CCCC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000909960185 981713403 /nfs/dbraw/zinc/71/34/03/981713403.db2.gz PJRZCLCVYPLKTG-OWCLPIDISA-N -1 0 349.496 3.871 20 0 EHADRM Cc1ccsc1CCCC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000909960186 981713763 /nfs/dbraw/zinc/71/37/63/981713763.db2.gz PJRZCLCVYPLKTG-PMPSAXMXSA-N -1 0 349.496 3.871 20 0 EHADRM Cc1ccccc1C(F)(F)CNC(=O)c1ccccc1CCC(=O)[O-] ZINC000909989732 981731901 /nfs/dbraw/zinc/73/19/01/981731901.db2.gz HINUZURTOKKJGH-UHFFFAOYSA-N -1 0 347.361 3.534 20 0 EHADRM CCC[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CCO1 ZINC001595624796 981737570 /nfs/dbraw/zinc/73/75/70/981737570.db2.gz GGLVXQCDDLAPKC-ZDUSSCGKSA-N -1 0 342.395 3.571 20 0 EHADRM CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)c1ccoc1CC(=O)[O-] ZINC000910026214 981737837 /nfs/dbraw/zinc/73/78/37/981737837.db2.gz AIWNQQZZZHKYDI-KUHUBIRLSA-N -1 0 341.407 3.596 20 0 EHADRM CC(C)(CC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)CC(F)(F)F ZINC000910047901 981744465 /nfs/dbraw/zinc/74/44/65/981744465.db2.gz SYYZAVIWUIWFSI-UHFFFAOYSA-N -1 0 329.318 3.596 20 0 EHADRM Cc1c(NC(=O)C2(C)CC=CC2)cc(Br)cc1C(=O)[O-] ZINC000910085128 981755091 /nfs/dbraw/zinc/75/50/91/981755091.db2.gz ZKJOTWRTRCAPQK-UHFFFAOYSA-N -1 0 338.201 3.751 20 0 EHADRM CC[C@@H](C(=O)OCc1ccsc1C(=O)[O-])c1ccc(OC)cc1 ZINC001594776062 981763444 /nfs/dbraw/zinc/76/34/44/981763444.db2.gz QHDVQFYQRGQVTE-CQSZACIVSA-N -1 0 334.393 3.692 20 0 EHADRM CCCN(Cc1ccc(F)cc1)C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000910245740 981816830 /nfs/dbraw/zinc/81/68/30/981816830.db2.gz OERSYMYGDFDEHZ-UHFFFAOYSA-N -1 0 333.403 3.599 20 0 EHADRM CCn1nc(C2CC2)cc1C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC000910247135 981818645 /nfs/dbraw/zinc/81/86/45/981818645.db2.gz VFDJVTDWZDAVTM-UHFFFAOYSA-N -1 0 349.390 3.884 20 0 EHADRM CCCC[C@@](C)(F)C(=O)Oc1ccc(C(=O)[O-])cc1Br ZINC001595630427 981820115 /nfs/dbraw/zinc/82/01/15/981820115.db2.gz FOFYGYJAHFGDLB-CQSZACIVSA-N -1 0 347.180 3.971 20 0 EHADRM CN(C(=O)c1csc(C(=O)[O-])n1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000910250489 981825207 /nfs/dbraw/zinc/82/52/07/981825207.db2.gz LOSRBKOXIOFUII-UKRRQHHQSA-N -1 0 344.436 3.640 20 0 EHADRM COc1ccc(N(CCC(C)C)C(=O)c2csc(C(=O)[O-])n2)cc1 ZINC000910250986 981825327 /nfs/dbraw/zinc/82/53/27/981825327.db2.gz RJCJWJJBFYZYOS-UHFFFAOYSA-N -1 0 348.424 3.543 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)N[C@H]1CCc2ccc(Cl)cc21 ZINC000910254648 981831232 /nfs/dbraw/zinc/83/12/32/981831232.db2.gz KTRPZPPMBQSHOU-KRWDZBQOSA-N -1 0 343.810 3.775 20 0 EHADRM Cc1nc(NC[C@H]2CCCO[C@@H]2c2ccccc2)ccc1C(=O)[O-] ZINC000910290470 981845093 /nfs/dbraw/zinc/84/50/93/981845093.db2.gz OVRUYFDYNYVPDO-CRAIPNDOSA-N -1 0 326.396 3.668 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cc(C(C)(C)C)oc1C ZINC001594791448 981850241 /nfs/dbraw/zinc/85/02/41/981850241.db2.gz JLMVBFMSGRPXBU-IBGZPJMESA-N -1 0 335.444 3.991 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(C(F)F)c(F)c1 ZINC001594792228 981860001 /nfs/dbraw/zinc/86/00/01/981860001.db2.gz MIKXRAGESQPSHY-QGZVFWFLSA-N -1 0 343.345 3.869 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cc(C)nc2ccccc21 ZINC001594792735 981862206 /nfs/dbraw/zinc/86/22/06/981862206.db2.gz PQZGQSSZJWGWII-FQEVSTJZSA-N -1 0 340.423 3.649 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cccc2c1OC(C)(C)C2 ZINC001594792881 981864873 /nfs/dbraw/zinc/86/48/73/981864873.db2.gz TXROGGAWSMAWCU-FQEVSTJZSA-N -1 0 345.439 3.506 20 0 EHADRM CC(C)(C)OC1CC(CC(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)C1 ZINC000910361368 981892325 /nfs/dbraw/zinc/89/23/25/981892325.db2.gz BUROLTCYPAODQC-SLTAFYQDSA-N -1 0 345.439 3.575 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)Cc2cccc(C(F)F)c2)c1 ZINC000910368060 981898763 /nfs/dbraw/zinc/89/87/63/981898763.db2.gz RLWFQXYCMOWWSM-INIZCTEOSA-N -1 0 347.361 3.807 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)c2cscc2C(F)F)c1 ZINC000910371838 981902371 /nfs/dbraw/zinc/90/23/71/981902371.db2.gz ZGBYAUDEIYYHNG-ZDUSSCGKSA-N -1 0 339.363 3.940 20 0 EHADRM CCCC[C@H](NC(=O)c1ccc([C@H](C)C(F)(F)F)cc1)C(=O)[O-] ZINC001595636624 981919985 /nfs/dbraw/zinc/91/99/85/981919985.db2.gz GOATUMJTORPGLU-GWCFXTLKSA-N -1 0 331.334 3.726 20 0 EHADRM CCC(C)(C)OCc1ccccc1NC(=O)NC1(CC(=O)[O-])CCC1 ZINC001594814790 981940291 /nfs/dbraw/zinc/94/02/91/981940291.db2.gz XDNSJQYRXZHWEB-UHFFFAOYSA-N -1 0 348.443 3.911 20 0 EHADRM CCC(C)(C)c1ccc(CNC(=O)c2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC001594814796 981941128 /nfs/dbraw/zinc/94/11/28/981941128.db2.gz XLCBHOPPJPBQGO-ZRDIBKRKSA-N -1 0 341.407 3.995 20 0 EHADRM CCC(C)(C)c1ccc(NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1 ZINC001594815789 981946251 /nfs/dbraw/zinc/94/62/51/981946251.db2.gz OHJHAEGQRNPJGA-DLBZAZTESA-N -1 0 344.455 3.949 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)CC1(CSc2ccccc2)CC1 ZINC001594817055 981954597 /nfs/dbraw/zinc/95/45/97/981954597.db2.gz LWZFTBKSWGEBRQ-QGZVFWFLSA-N -1 0 335.469 3.709 20 0 EHADRM CCCC[C@H](S[C@H](C)C(=O)Nc1ccccc1C(C)=O)C(=O)[O-] ZINC001595651692 982025198 /nfs/dbraw/zinc/02/51/98/982025198.db2.gz JQARBWQWRHPAKX-DOMZBBRYSA-N -1 0 337.441 3.593 20 0 EHADRM CCCCN(C(=O)c1cc(C(=O)[O-])ccn1)[C@@H](C)c1ccc(C)o1 ZINC000910624680 982033785 /nfs/dbraw/zinc/03/37/85/982033785.db2.gz YEHNLMLUYMZPRQ-ZDUSSCGKSA-N -1 0 330.384 3.685 20 0 EHADRM CCCC[C@H](S[C@H](C)C(=O)N(C)Cc1ccccc1C)C(=O)[O-] ZINC001595652407 982034414 /nfs/dbraw/zinc/03/44/14/982034414.db2.gz TYXLFWXQFGLFTP-ZBFHGGJFSA-N -1 0 337.485 3.719 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)c1C1CC1 ZINC000910648270 982040002 /nfs/dbraw/zinc/04/00/02/982040002.db2.gz FOVVUMVNDPJXER-RMEHTXHKSA-N -1 0 345.443 3.705 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)Nc1cccc(C2CC2)n1)C(=O)[O-] ZINC000910666744 982047369 /nfs/dbraw/zinc/04/73/69/982047369.db2.gz IGJSRYRQRKCLIS-LLVKDONJSA-N -1 0 342.420 3.777 20 0 EHADRM CCCn1ncc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1C1CC1 ZINC000910667708 982048263 /nfs/dbraw/zinc/04/82/63/982048263.db2.gz GIOXXPNMDFMCCH-UHFFFAOYSA-N -1 0 345.443 3.534 20 0 EHADRM COc1ccc(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)c(C)c1 ZINC000910696382 982068120 /nfs/dbraw/zinc/06/81/20/982068120.db2.gz DIVJYUAORUFCEV-UHFFFAOYSA-N -1 0 334.397 3.534 20 0 EHADRM CC(C)c1sc(NC(=O)C2C[C@H]3CC[C@@H](C2)S3)nc1C(=O)[O-] ZINC000910705051 982074907 /nfs/dbraw/zinc/07/49/07/982074907.db2.gz AKGCHFZLWDCKLX-PBINXNQUSA-N -1 0 340.470 3.577 20 0 EHADRM CCCCC1CCC(c2cc(NC(=O)[C@@H](CC)C(=O)[O-])n[nH]2)CC1 ZINC001595661474 982075872 /nfs/dbraw/zinc/07/58/72/982075872.db2.gz UWNMYIAAWXROOB-JXQTWKCFSA-N -1 0 335.448 3.923 20 0 EHADRM C/C(=C\c1ccco1)C(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC000910718029 982080049 /nfs/dbraw/zinc/08/00/49/982080049.db2.gz GGISUPRPOHIFQC-WTNCMQEWSA-N -1 0 346.408 3.510 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)c2ccc(CF)cc2)nc1C(=O)[O-] ZINC000910718390 982080939 /nfs/dbraw/zinc/08/09/39/982080939.db2.gz JNYKCIBYGFVFJG-ZDUSSCGKSA-N -1 0 348.399 3.597 20 0 EHADRM CCCCC[C@H](C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)C(C)C ZINC001595663060 982082017 /nfs/dbraw/zinc/08/20/17/982082017.db2.gz QOZRQPQZMQCWNR-RYUDHWBXSA-N -1 0 326.462 3.871 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)c2cccc(C)c2C)nc1C(=O)[O-] ZINC000910722793 982084833 /nfs/dbraw/zinc/08/48/33/982084833.db2.gz MVEMTTXOKUYVGX-AWEZNQCLSA-N -1 0 344.436 3.744 20 0 EHADRM CC(C)(C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)c1ccc(F)cc1 ZINC000910734364 982096402 /nfs/dbraw/zinc/09/64/02/982096402.db2.gz SXFAJGKYUZYWGM-UHFFFAOYSA-N -1 0 348.399 3.774 20 0 EHADRM Cc1cccc(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)c1Cl ZINC000910735278 982097738 /nfs/dbraw/zinc/09/77/38/982097738.db2.gz RPFXKAQLXMMHLW-UHFFFAOYSA-N -1 0 336.800 3.933 20 0 EHADRM CCCCC[C@H](NC(=O)[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC001595670030 982116359 /nfs/dbraw/zinc/11/63/59/982116359.db2.gz MEQLWGCBJYABGT-RISCZKNCSA-N -1 0 345.361 3.959 20 0 EHADRM CC/C(C)=C/C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC001594860410 982136696 /nfs/dbraw/zinc/13/66/96/982136696.db2.gz FUUBCITXOVDZSQ-QPJJXVBHSA-N -1 0 330.153 3.581 20 0 EHADRM CCCCC[C@@H](NC(=O)c1cc(Oc2ccccc2)ccn1)C(=O)[O-] ZINC001595676088 982145996 /nfs/dbraw/zinc/14/59/96/982145996.db2.gz HVBUCCBGOBZRQK-MRXNPFEDSA-N -1 0 342.395 3.637 20 0 EHADRM CC/C(C)=C(/C)C(=O)Nc1cc(Br)ccc1C(=O)[O-] ZINC001594861569 982147565 /nfs/dbraw/zinc/14/75/65/982147565.db2.gz FGNVRWABLCVRLV-HJWRWDBZSA-N -1 0 326.190 3.832 20 0 EHADRM CCCCC[C@H](NC(=O)c1cc(C(F)(F)F)ccc1NC)C(=O)[O-] ZINC001595677248 982151440 /nfs/dbraw/zinc/15/14/40/982151440.db2.gz VRNVFFZFOQRPQV-ZDUSSCGKSA-N -1 0 346.349 3.510 20 0 EHADRM C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)C[C@H]1CC(=O)[O-] ZINC000910863670 982153716 /nfs/dbraw/zinc/15/37/16/982153716.db2.gz YSMCBTVTQVOWEK-OYYCAODRSA-N -1 0 337.419 3.513 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@H]2[C@H](C)c2ccccc2)oc1C(=O)[O-] ZINC000910935518 982170034 /nfs/dbraw/zinc/17/00/34/982170034.db2.gz JCHKIDKAYFKIGI-HIFRSBDPSA-N -1 0 327.380 3.695 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)C[C@@](O)(CC)c1ccccc1 ZINC000910958908 982177955 /nfs/dbraw/zinc/17/79/55/982177955.db2.gz MYZGDUMEFPMFBQ-FQEVSTJZSA-N -1 0 341.407 3.574 20 0 EHADRM CCCCC[C@@H]1CCCCN1C(=O)NCc1cc(C(=O)[O-])c(C)n1C ZINC001595689586 982187478 /nfs/dbraw/zinc/18/74/78/982187478.db2.gz DGRRILWZUGNUKD-OAHLLOKOSA-N -1 0 349.475 3.676 20 0 EHADRM O=C([O-])C12CCC(C(=O)Nc3ccc(N4CCCCC4)cc3)(CC1)C2 ZINC000911086870 982230644 /nfs/dbraw/zinc/23/06/44/982230644.db2.gz MOHXLVLFZDUGGP-UHFFFAOYSA-N -1 0 342.439 3.651 20 0 EHADRM CC[C@@H](C)[C@H](C)N(C(=O)NCc1ccc(C(=O)[O-])c(OC)c1)C1CC1 ZINC001594881012 982233054 /nfs/dbraw/zinc/23/30/54/982233054.db2.gz KPMZXPYWLZJLCX-OLZOCXBDSA-N -1 0 348.443 3.502 20 0 EHADRM CCCCCCOCC(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC001595710122 982293267 /nfs/dbraw/zinc/29/32/67/982293267.db2.gz CVPSXKUSZIMZPM-UHFFFAOYSA-N -1 0 349.452 3.813 20 0 EHADRM CCCCCN(C(=O)Nc1cnc(C(=O)[O-])c(Cl)c1)C(C)C ZINC001595715162 982313131 /nfs/dbraw/zinc/31/31/31/982313131.db2.gz OEQPKKOSWDTSPV-UHFFFAOYSA-N -1 0 327.812 3.866 20 0 EHADRM O=C(/C=C/c1cc(C(=O)[O-])co1)Nc1cccc(N2CCCCC2)c1 ZINC000911250755 982313271 /nfs/dbraw/zinc/31/32/71/982313271.db2.gz SYIVJTFZMRXTEN-BQYQJAHWSA-N -1 0 340.379 3.620 20 0 EHADRM CCCCCN(CCCOC)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001595716201 982319939 /nfs/dbraw/zinc/31/99/39/982319939.db2.gz RTOUUAQYIVUAAQ-UHFFFAOYSA-N -1 0 341.835 3.707 20 0 EHADRM CCC(CC)C(=O)N(Cc1ccoc1C(=O)[O-])[C@H](C)c1ccccn1 ZINC000911328925 982353955 /nfs/dbraw/zinc/35/39/55/982353955.db2.gz WSYNCBXUUPPQDY-CYBMUJFWSA-N -1 0 344.411 3.899 20 0 EHADRM CCCCN(C(=O)Cc1ccc(C(=O)[O-])nc1)[C@H](C)c1ccc(C)o1 ZINC001595732306 982368176 /nfs/dbraw/zinc/36/81/76/982368176.db2.gz UAGSXZIZHUDPJL-CQSZACIVSA-N -1 0 344.411 3.614 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2cc(Cl)ccc2OC(F)F)C1 ZINC000911371843 982389490 /nfs/dbraw/zinc/38/94/90/982389490.db2.gz QCRKVOMVJZTQGU-RKDXNWHRSA-N -1 0 347.745 3.771 20 0 EHADRM Cc1ccc(C(=O)N[C@H](c2ncccc2C)C(C)C)cc1C(=O)[O-] ZINC000911374027 982391180 /nfs/dbraw/zinc/39/11/80/982391180.db2.gz KWQLQERUBREQSB-INIZCTEOSA-N -1 0 326.396 3.524 20 0 EHADRM Cc1nc([C@H]2CCCN2C(=O)CC2(CC(=O)[O-])CCCC2)cs1 ZINC000911398454 982417106 /nfs/dbraw/zinc/41/71/06/982417106.db2.gz JNDQZRRLRFTCLX-CQSZACIVSA-N -1 0 336.457 3.540 20 0 EHADRM Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000911399317 982418012 /nfs/dbraw/zinc/41/80/12/982418012.db2.gz QYEDYWYGRAXMNM-VBQJREDUSA-N -1 0 333.403 3.689 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)c1cc2c(cccc2Cl)s1)C(=O)[O-] ZINC001594912195 982421231 /nfs/dbraw/zinc/42/12/31/982421231.db2.gz OGMFMFAYBWJJCX-AMIZOPFISA-N -1 0 325.817 3.784 20 0 EHADRM CCCCN(CCOC)C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001595749313 982422713 /nfs/dbraw/zinc/42/27/13/982422713.db2.gz WUHHXPUBAZSBLG-UHFFFAOYSA-N -1 0 344.411 3.818 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1cccc(N2CCC(C)CC2)c1 ZINC000911424517 982425985 /nfs/dbraw/zinc/42/59/85/982425985.db2.gz RKUNFDRDQLMRBQ-UHFFFAOYSA-N -1 0 342.395 3.775 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000911451697 982436732 /nfs/dbraw/zinc/43/67/32/982436732.db2.gz FGJOWNPIWSAPOQ-HNNXBMFYSA-N -1 0 347.798 3.928 20 0 EHADRM CCCCOc1ccc(C(=O)Nc2cnc(C(=O)[O-])c(Cl)c2)cc1 ZINC001595777259 982545063 /nfs/dbraw/zinc/54/50/63/982545063.db2.gz OZHHJJMBTDBVOM-UHFFFAOYSA-N -1 0 348.786 3.864 20 0 EHADRM CCCCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])nc2)c(Cl)c1 ZINC001595777610 982547263 /nfs/dbraw/zinc/54/72/63/982547263.db2.gz YUXRNZDCBJPXBB-UHFFFAOYSA-N -1 0 348.786 3.864 20 0 EHADRM CC[C@H](C)[C@@H](Sc1nnc(-c2ccc(F)cc2)n1CC)C(=O)[O-] ZINC001594930389 982551586 /nfs/dbraw/zinc/55/15/86/982551586.db2.gz WILJDRHXSYOCOB-GXFFZTMASA-N -1 0 337.420 3.696 20 0 EHADRM CC[C@H](C)[C@H](Sc1nnc(NC2CCCCC2)s1)C(=O)[O-] ZINC001594930427 982552401 /nfs/dbraw/zinc/55/24/01/982552401.db2.gz WRVZIVCFCDUNOG-ONGXEEELSA-N -1 0 329.491 3.874 20 0 EHADRM CCCCOc1cccc(NC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)c1 ZINC001595780896 982555520 /nfs/dbraw/zinc/55/55/20/982555520.db2.gz LEQYNJUAKPFXAM-HIFRSBDPSA-N -1 0 334.416 3.630 20 0 EHADRM CCCCSCCC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001595789070 982586780 /nfs/dbraw/zinc/58/67/80/982586780.db2.gz MHSNSBPRUQEZRO-MRXNPFEDSA-N -1 0 337.485 3.878 20 0 EHADRM O=C([O-])CCCC(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000911667375 982594729 /nfs/dbraw/zinc/59/47/29/982594729.db2.gz HYSQFACUEDJGTH-UHFFFAOYSA-N -1 0 342.222 3.864 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC23CCC(C(F)(F)F)(CC2)CC3)cc1 ZINC000911698330 982602989 /nfs/dbraw/zinc/60/29/89/982602989.db2.gz NMTLAPJADBNAIH-UHFFFAOYSA-N -1 0 341.329 3.770 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)c1csc(-c2ccccc2C)n1)C(=O)[O-] ZINC001594949659 982651367 /nfs/dbraw/zinc/65/13/67/982651367.db2.gz GSONUTQWQNBAQM-SMDDNHRTSA-N -1 0 346.452 3.738 20 0 EHADRM CCCN(C(=O)CCCOc1cccc2ccccc21)[C@H](C)C(=O)[O-] ZINC001595815780 982667894 /nfs/dbraw/zinc/66/78/94/982667894.db2.gz DADSPSPDIOKDDA-OAHLLOKOSA-N -1 0 343.423 3.711 20 0 EHADRM O=C([O-])c1ccc2c(=O)[nH]c(C(Cl)=Cc3ccccc3)nc2c1 ZINC000916127152 982672261 /nfs/dbraw/zinc/67/22/61/982672261.db2.gz HKIKVCYBAFIUSM-MDWZMJQESA-N -1 0 326.739 3.771 20 0 EHADRM CC[C@H](C)CC[C@@H](O)CC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001594957165 982692000 /nfs/dbraw/zinc/69/20/00/982692000.db2.gz KHUANNSDGRAMEZ-IINYFYTJSA-N -1 0 327.808 3.554 20 0 EHADRM CC[C@@H](C)CCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001594958542 982698684 /nfs/dbraw/zinc/69/86/84/982698684.db2.gz CHGSATRMQAXJQE-RDTXWAMCSA-N -1 0 344.455 3.886 20 0 EHADRM CCCN(C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F)C(C)C ZINC001595823859 982700963 /nfs/dbraw/zinc/70/09/63/982700963.db2.gz ZHZLSOSZZXZNNF-UHFFFAOYSA-N -1 0 344.358 3.681 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)C2(CCc3ccccc3)CC2)CC1 ZINC000923071532 982706787 /nfs/dbraw/zinc/70/67/87/982706787.db2.gz WFBGACWPMFVRLT-UHFFFAOYSA-N -1 0 329.440 3.503 20 0 EHADRM CCCN(C(=O)c1ccc(Oc2ccccc2C)cn1)[C@@H](C)C(=O)[O-] ZINC001595827987 982713840 /nfs/dbraw/zinc/71/38/40/982713840.db2.gz WPKPMCPHWOBTGB-AWEZNQCLSA-N -1 0 342.395 3.508 20 0 EHADRM CCCN(C(=O)c1cc(OCc2ccccc2)cs1)[C@@H](C)C(=O)[O-] ZINC001595828023 982714679 /nfs/dbraw/zinc/71/46/79/982714679.db2.gz YDHXYEJFMMPJON-ZDUSSCGKSA-N -1 0 347.436 3.652 20 0 EHADRM CCCN(C(=O)c1cccc(Nc2ccccc2)c1)[C@H](C)C(=O)[O-] ZINC001595829844 982715473 /nfs/dbraw/zinc/71/54/73/982715473.db2.gz FINJZABTODGKOS-CQSZACIVSA-N -1 0 326.396 3.756 20 0 EHADRM CCOc1ccc(CCC(=O)Nc2cc(C(=O)[O-])sc2C)cc1 ZINC000923092719 982718083 /nfs/dbraw/zinc/71/80/83/982718083.db2.gz WMAFNIYZQBCJBR-UHFFFAOYSA-N -1 0 333.409 3.725 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)Nc1cc(C(=O)[O-])sc1C ZINC000923094894 982719576 /nfs/dbraw/zinc/71/95/76/982719576.db2.gz RBCZDTVPHOUQMW-UHFFFAOYSA-N -1 0 333.409 3.680 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)CCSc1cccc(Cl)c1 ZINC001594971950 982742135 /nfs/dbraw/zinc/74/21/35/982742135.db2.gz OTTZLNDJISNIEL-LLVKDONJSA-N -1 0 329.849 3.534 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000923154296 982769088 /nfs/dbraw/zinc/76/90/88/982769088.db2.gz NLFMJMAQRKQEHP-BPQTVZERSA-N -1 0 337.419 3.655 20 0 EHADRM CC(C)(C)OC1CC(CC(=O)NC2(CCC(=O)[O-])CCCCC2)C1 ZINC000923218159 982850505 /nfs/dbraw/zinc/85/05/05/982850505.db2.gz MCPXTMMWRNFNQJ-UHFFFAOYSA-N -1 0 339.476 3.654 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001594999397 982906143 /nfs/dbraw/zinc/90/61/43/982906143.db2.gz FPCXTNUBSBUFLC-RDTXWAMCSA-N -1 0 347.455 3.875 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)N1CC[C@H](C)C[C@H]1C(=O)[O-] ZINC001595004179 982916507 /nfs/dbraw/zinc/91/65/07/982916507.db2.gz HXKCLYXKAFFGQC-UHOBSKSJSA-N -1 0 345.439 3.589 20 0 EHADRM CC[C@H](C)Oc1cccc(NCc2ccccc2O[C@H](C)C(=O)[O-])n1 ZINC001595007650 982925622 /nfs/dbraw/zinc/92/56/22/982925622.db2.gz DYMVVKDECIHICV-UONOGXRCSA-N -1 0 344.411 3.723 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)n1 ZINC001595009394 982934835 /nfs/dbraw/zinc/93/48/35/982934835.db2.gz WSKQMRKBWKEPNH-LBPRGKRZSA-N -1 0 328.368 3.518 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)Oc2c(OC)cccc2C(=O)[O-])cc1 ZINC001595009748 982936244 /nfs/dbraw/zinc/93/62/44/982936244.db2.gz YAILXOJRXHLABW-GFCCVEGCSA-N -1 0 344.363 3.790 20 0 EHADRM CC[C@H](C)c1ccc(C(=O)NCc2ccc(CC(=O)[O-])cc2)cc1 ZINC001595010523 982941167 /nfs/dbraw/zinc/94/11/67/982941167.db2.gz SMCCFAGYTSLDQK-AWEZNQCLSA-N -1 0 325.408 3.757 20 0 EHADRM CCCN1C(=O)N(c2cccc3cc(C(=O)[O-])sc32)C(=O)[C@@H]1CC ZINC001595896680 982941950 /nfs/dbraw/zinc/94/19/50/982941950.db2.gz OCTFRUFNELPMQM-NSHDSACASA-N -1 0 346.408 3.557 20 0 EHADRM CC[C@H](C)c1cccc(NC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)c1 ZINC001595014547 982953742 /nfs/dbraw/zinc/95/37/42/982953742.db2.gz VPVGFSAVPORVDA-RFUYNDQBSA-N -1 0 330.428 3.919 20 0 EHADRM CCCNc1ccccc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001595936693 983077832 /nfs/dbraw/zinc/07/78/32/983077832.db2.gz LTQKNLQIICOLDS-UHFFFAOYSA-N -1 0 326.396 3.778 20 0 EHADRM CCCOc1ccc(CCC(=O)Nc2c(F)cccc2C(=O)[O-])cc1 ZINC001595954398 983137178 /nfs/dbraw/zinc/13/71/78/983137178.db2.gz JKMNTXCNMLRWFI-UHFFFAOYSA-N -1 0 345.370 3.884 20 0 EHADRM CCCOc1ccc(OCC(=O)Nc2scc(C)c2C(=O)[O-])cc1 ZINC001595966601 983173174 /nfs/dbraw/zinc/17/31/74/983173174.db2.gz LJUXKQUBCONDQA-UHFFFAOYSA-N -1 0 349.408 3.561 20 0 EHADRM CCCOc1ccccc1NC(=O)c1ccccc1CCC(=O)[O-] ZINC001595974025 983197684 /nfs/dbraw/zinc/19/76/84/983197684.db2.gz IDJAZCYYOWQWOM-UHFFFAOYSA-N -1 0 327.380 3.745 20 0 EHADRM CCC[C@@H](NC(=O)c1cccc(-c2c(F)cccc2F)c1)C(=O)[O-] ZINC001595998152 983254581 /nfs/dbraw/zinc/25/45/81/983254581.db2.gz ORSNYDUMEVDQQY-OAHLLOKOSA-N -1 0 333.334 3.615 20 0 EHADRM CCCc1c(C(=O)N[C@@H]2CCc3cc(C)ccc32)[nH]c(C)c1C(=O)[O-] ZINC001596037350 983319674 /nfs/dbraw/zinc/31/96/74/983319674.db2.gz NDSKOPWIHBRLDI-MRXNPFEDSA-N -1 0 340.423 3.700 20 0 EHADRM CCCc1csc(NC(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)n1 ZINC001596074671 983389582 /nfs/dbraw/zinc/38/95/82/983389582.db2.gz HLUXLWKHWAPVPI-SNVBAGLBSA-N -1 0 333.413 3.928 20 0 EHADRM CCCn1c(C(=O)NCc2cc(C)c(C(=O)[O-])o2)cc2ccccc21 ZINC001596107672 983432115 /nfs/dbraw/zinc/43/21/15/983432115.db2.gz IFZNIIOLMBAPPD-UHFFFAOYSA-N -1 0 340.379 3.581 20 0 EHADRM CCN(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC001596137498 983486673 /nfs/dbraw/zinc/48/66/73/983486673.db2.gz LNWJCCAJGWSWAL-NEPJUHHUSA-N -1 0 343.345 3.949 20 0 EHADRM CCN(C(=O)CSc1ccc(C(C)(C)C)cc1)C(C)(C)C(=O)[O-] ZINC001596143112 983496085 /nfs/dbraw/zinc/49/60/85/983496085.db2.gz LVWGOQNQSFZAGQ-UHFFFAOYSA-N -1 0 337.485 3.788 20 0 EHADRM CCN(C(=O)c1cccc(CC(=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 ZINC001596169934 983534745 /nfs/dbraw/zinc/53/47/45/983534745.db2.gz XILJECJFMKQXAN-UHFFFAOYSA-N -1 0 341.451 3.745 20 0 EHADRM CCN(C(=O)c1csc(C(=O)[O-])n1)[C@@H](C)c1cc2ccccc2o1 ZINC001596172694 983537790 /nfs/dbraw/zinc/53/77/90/983537790.db2.gz CFGDYCSTOWXWPM-JTQLQIEISA-N -1 0 344.392 3.811 20 0 EHADRM CCN(Cc1occc1C)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC001596380705 983904070 /nfs/dbraw/zinc/90/40/70/983904070.db2.gz VPKZGDJDNGACQG-ZDUSSCGKSA-N -1 0 330.384 3.830 20 0 EHADRM CCN1C(=O)c2ccc(Cl)cc2NC12CCC(CC(=O)[O-])CC2 ZINC001596394791 983931341 /nfs/dbraw/zinc/93/13/41/983931341.db2.gz NFSAZYVLKAOMDN-UHFFFAOYSA-N -1 0 336.819 3.589 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C[C@@H]2OCc3ccccc32)c1 ZINC000655098377 1014994642 /nfs/dbraw/zinc/99/46/42/1014994642.db2.gz QZOGLLGJYPWSSH-SFHVURJKSA-N -1 0 325.364 3.585 20 0 EHADRM O=S(=O)([N-]c1nc2ccccc2s1)c1c(F)cccc1Cl ZINC000153434449 1125489315 /nfs/dbraw/zinc/48/93/15/1125489315.db2.gz HAVBJCNHLHGOFP-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM O=C(c1cccc(Br)c1[O-])N(Cc1ccoc1)C1CC1 ZINC000889093498 1015039125 /nfs/dbraw/zinc/03/91/25/1015039125.db2.gz RFVGXAMBBTXZAQ-UHFFFAOYSA-N -1 0 336.185 3.553 20 0 EHADRM C=Cc1ccccc1NC(=O)NC[C@H](Cc1cccc(C)c1)C(=O)[O-] ZINC001588921233 984578736 /nfs/dbraw/zinc/57/87/36/984578736.db2.gz COZARRARXKTDDA-KRWDZBQOSA-N -1 0 338.407 3.703 20 0 EHADRM C=Cc1ccccc1NC(=O)N[C@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001588922163 984581449 /nfs/dbraw/zinc/58/14/49/984581449.db2.gz UVFWOLQHARXHPP-RHSMWYFYSA-N -1 0 338.407 3.783 20 0 EHADRM CCOC(=O)CN(Cc1csc(C(=O)[O-])c1)[C@H](C)c1ccccc1 ZINC001596622122 984597055 /nfs/dbraw/zinc/59/70/55/984597055.db2.gz GYQDQDGSHYQNIM-CYBMUJFWSA-N -1 0 347.436 3.573 20 0 EHADRM C/C(=C\C(=O)N(C)C1(C(=O)[O-])CCCCC1)c1cccc(Cl)c1 ZINC001588933139 984611744 /nfs/dbraw/zinc/61/17/44/984611744.db2.gz PLRVOAHHHTYPOY-ACCUITESSA-N -1 0 335.831 3.989 20 0 EHADRM C/C(=C\C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1C ZINC001588938754 984624055 /nfs/dbraw/zinc/62/40/55/984624055.db2.gz KNZLWYMZUHAWHE-GPZRYRNASA-N -1 0 341.382 3.522 20 0 EHADRM C/C(=C\C(=O)N1CCc2c1cccc2C(=O)[O-])c1ccc(F)cc1 ZINC001588938800 984624722 /nfs/dbraw/zinc/62/47/22/984624722.db2.gz HDVQYHMNWQCHCN-VAWYXSNFSA-N -1 0 325.339 3.517 20 0 EHADRM C/C(=C/C(=O)Nc1cnc(C)c(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC001588945988 984655229 /nfs/dbraw/zinc/65/52/29/984655229.db2.gz OOLAYVUYRBQIDN-POHAHGRESA-N -1 0 330.771 3.784 20 0 EHADRM C[C@H](C(=O)O[C@@H](C(=O)[O-])c1c(F)cccc1Cl)c1ccccc1 ZINC001599888347 984663556 /nfs/dbraw/zinc/66/35/56/984663556.db2.gz MARBUHBUMWVGIX-ZUZCIYMTSA-N -1 0 336.746 3.952 20 0 EHADRM C/C(=C\CN(C)Cc1cc(Br)ccc1Cl)C(=O)[O-] ZINC001588955856 984699434 /nfs/dbraw/zinc/69/94/34/984699434.db2.gz AYXYXNMUORKYBZ-WEVVVXLNSA-N -1 0 332.625 3.565 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001599891507 984700028 /nfs/dbraw/zinc/70/00/28/984700028.db2.gz SJKWTWLLCQOWII-DYVFJYSZSA-N -1 0 335.419 3.544 20 0 EHADRM C/C(=C/C1CCC(C)CC1)COC(=O)CCc1ocnc1C(=O)[O-] ZINC001588956676 984707307 /nfs/dbraw/zinc/70/73/07/984707307.db2.gz XKYYFUVPVOGWPM-LCYFTJDESA-N -1 0 335.400 3.621 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)c1cc2ccccc2o1 ZINC001599900740 984819563 /nfs/dbraw/zinc/81/95/63/984819563.db2.gz UZYFOGQOYXVCIA-JTQLQIEISA-N -1 0 327.311 3.761 20 0 EHADRM C[C@H](OC(=O)COC/C=C/c1ccccc1)c1ccc(C(=O)[O-])cc1 ZINC001599904743 984907394 /nfs/dbraw/zinc/90/73/94/984907394.db2.gz UOFQHUJJLRGAMB-PXTSUWAFSA-N -1 0 340.375 3.719 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC001588995813 984929318 /nfs/dbraw/zinc/92/93/18/984929318.db2.gz SHGYWIFIYHIGQK-FOWTUZBSSA-N -1 0 329.440 3.940 20 0 EHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001588997835 984932757 /nfs/dbraw/zinc/93/27/57/984932757.db2.gz DUHQWLDUJJYJCT-OUKQBFOZSA-N -1 0 343.810 3.800 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)Nc1cc(CCC(=O)[O-])ccc1O ZINC001588998086 984933862 /nfs/dbraw/zinc/93/38/62/984933862.db2.gz HIPQLDGYBHJWMZ-ZRDIBKRKSA-N -1 0 343.354 3.591 20 0 EHADRM C/C(=C\c1cccnc1)C(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-] ZINC001589006465 984971004 /nfs/dbraw/zinc/97/10/04/984971004.db2.gz UINRWIBPJQPPGZ-WEVVVXLNSA-N -1 0 334.734 3.614 20 0 EHADRM C/C(=C\c1ccncc1)C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001589011009 984985542 /nfs/dbraw/zinc/98/55/42/984985542.db2.gz OZOYHGIBNNRNTR-JLHYYAGUSA-N -1 0 340.379 3.609 20 0 EHADRM CCOC(=O)c1ccc(S[C@@H](C(=O)[O-])c2ccccc2)c(F)c1 ZINC001596728117 984985453 /nfs/dbraw/zinc/98/54/53/984985453.db2.gz CETSDRNDEVSOEU-OAHLLOKOSA-N -1 0 334.368 3.920 20 0 EHADRM CCOC(=O)c1cccc(Sc2nc(Cl)c(C(=O)[O-])s2)c1 ZINC001596730348 984994539 /nfs/dbraw/zinc/99/45/39/984994539.db2.gz FPTJCNIAZKKVSL-UHFFFAOYSA-N -1 0 343.813 3.823 20 0 EHADRM CC(=O)[C@H](C)CCCCC(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001589022886 985019852 /nfs/dbraw/zinc/01/98/52/985019852.db2.gz HABIISNLVYXRDM-SECBINFHSA-N -1 0 325.430 3.787 20 0 EHADRM CCO[C@H](C(=O)N1CCCc2c(C)ccc(C(=O)[O-])c21)C1CCCC1 ZINC001596760384 985138453 /nfs/dbraw/zinc/13/84/53/985138453.db2.gz DRBAVJVKLBXTAL-SFHVURJKSA-N -1 0 345.439 3.568 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cccc(SC(F)F)c2)C[C@]1(C)C(=O)[O-] ZINC001599922898 985161816 /nfs/dbraw/zinc/16/18/16/985161816.db2.gz ITYDJBFGZPABMB-VFZGTOFNSA-N -1 0 344.383 3.576 20 0 EHADRM CCO[C@@H](C)C(=O)Nc1sc(C2CCCCC2)cc1C(=O)[O-] ZINC001596772592 985195155 /nfs/dbraw/zinc/19/51/55/985195155.db2.gz NZBQVXBMUWBUFB-JTQLQIEISA-N -1 0 325.430 3.858 20 0 EHADRM CCO[C@@H](C)c1ncc(C(=O)Nc2ccc(C)c(C)c2C(=O)[O-])s1 ZINC001596775757 985208724 /nfs/dbraw/zinc/20/87/24/985208724.db2.gz DSLNARNHHVXDOQ-NSHDSACASA-N -1 0 348.424 3.808 20 0 EHADRM CCO[C@H](c1noc(/C=C/c2cc(C(=O)[O-])co2)n1)C1CCCC1 ZINC001596789619 985258453 /nfs/dbraw/zinc/25/84/53/985258453.db2.gz FICPCZVJURKVNE-KIUWMYQTSA-N -1 0 332.356 3.799 20 0 EHADRM CCOC1CC(N(C)C(=O)Nc2cccc3cc(C(=O)[O-])sc32)C1 ZINC001596811539 985364075 /nfs/dbraw/zinc/36/40/75/985364075.db2.gz WCRABBRYXYMCFV-UHFFFAOYSA-N -1 0 348.424 3.631 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)Nc2cccc3c2CCCC3)c(C)c1C(=O)[O-] ZINC001599943452 985484633 /nfs/dbraw/zinc/48/46/33/985484633.db2.gz KWSPQLSQWUKGCO-ZDUSSCGKSA-N -1 0 340.423 3.892 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)[C@H]2CCCC[C@H]12 ZINC001594479588 985517959 /nfs/dbraw/zinc/51/79/59/985517959.db2.gz LUKXQXRPCVBERS-XYPHTWIQSA-N -1 0 346.427 3.583 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cccc(CCC(=O)[O-])c2)[C@H]2CCCC[C@@H]12 ZINC001594482402 985539281 /nfs/dbraw/zinc/53/92/81/985539281.db2.gz OFIKRRTVEHNBAJ-COXVUDFISA-N -1 0 330.428 3.746 20 0 EHADRM CCOC1CC2(C[C@H]2C(=O)Nc2cccc3cc(C(=O)[O-])sc32)C1 ZINC001596848595 985570655 /nfs/dbraw/zinc/57/06/55/985570655.db2.gz CQJYKJSRBCKALY-LASWEOPPSA-N -1 0 345.420 3.743 20 0 EHADRM Cc1[nH]c(C(=O)N(C)[C@@H](C)c2cccc(Cl)c2)c(C)c1C(=O)[O-] ZINC001599949485 985584274 /nfs/dbraw/zinc/58/42/74/985584274.db2.gz GPHPOSDVNDFASV-NSHDSACASA-N -1 0 334.803 3.816 20 0 EHADRM Cc1[nH]c(C(=O)N2CCC[C@@H]2CCC2CCCC2)c(C)c1C(=O)[O-] ZINC001599950986 985606502 /nfs/dbraw/zinc/60/65/02/985606502.db2.gz QZBMOOHKGLIAIK-OAHLLOKOSA-N -1 0 332.444 3.905 20 0 EHADRM Cc1[nH]c(C(=O)N[C@H]2CCC(C)(C)c3ccccc32)c(C)c1C(=O)[O-] ZINC001599952816 985638483 /nfs/dbraw/zinc/63/84/83/985638483.db2.gz NIRSFYQMLMOKNR-HNNXBMFYSA-N -1 0 340.423 3.872 20 0 EHADRM C[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C[C@@H](C2CC2)O1 ZINC001594503457 985698677 /nfs/dbraw/zinc/69/86/77/985698677.db2.gz YRXQZZADJVPIPR-TURNYIBQSA-N -1 0 344.238 3.618 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1cc(C(F)F)ccc1F ZINC001599956712 985700568 /nfs/dbraw/zinc/70/05/68/985700568.db2.gz LZJZTAGJNZRHBC-UHFFFAOYSA-N -1 0 326.274 3.659 20 0 EHADRM CC(=O)c1cc(C(=O)NC[C@H](C(=O)[O-])C2CCCCCC2)ccc1C ZINC001589258217 985906670 /nfs/dbraw/zinc/90/66/70/985906670.db2.gz UFZLETUIGUEEEL-SFHVURJKSA-N -1 0 345.439 3.599 20 0 EHADRM CC(=O)c1ccc(-c2ccc(C(=O)OC3CC(CC(=O)[O-])C3)o2)cc1 ZINC001589273349 985973362 /nfs/dbraw/zinc/97/33/62/985973362.db2.gz AHYUCVIYJPQTOO-UHFFFAOYSA-N -1 0 342.347 3.559 20 0 EHADRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)[C@H]1CC[C@@H](C)C1 ZINC001599971665 986016589 /nfs/dbraw/zinc/01/65/89/986016589.db2.gz ZYROBCZAOLSHJX-SCZZXKLOSA-N -1 0 340.217 3.830 20 0 EHADRM Cc1c(F)c(C(F)(F)F)ccc1C(=O)N(C)[C@@H](CC(C)C)C(=O)[O-] ZINC001599975783 986088193 /nfs/dbraw/zinc/08/81/93/986088193.db2.gz RXHLXJSMSROLMA-LBPRGKRZSA-N -1 0 349.324 3.724 20 0 EHADRM Cc1c(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)cnc2ccccc12 ZINC001599976271 986096456 /nfs/dbraw/zinc/09/64/56/986096456.db2.gz WOSKVTNEIKTVNI-MRXNPFEDSA-N -1 0 346.386 3.762 20 0 EHADRM Cc1c2cccc(Cl)c2[nH]c1C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001599976569 986101755 /nfs/dbraw/zinc/10/17/55/986101755.db2.gz MQSAIVHWYHJSDJ-ACJLOTCBSA-N -1 0 346.814 3.599 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC001599976592 986101813 /nfs/dbraw/zinc/10/18/13/986101813.db2.gz OXIVAYBOAFKMAF-UHFFFAOYSA-N -1 0 349.386 3.946 20 0 EHADRM CCC[C@@H](CC)S(=O)(=O)Nc1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000579844941 1015190630 /nfs/dbraw/zinc/19/06/30/1015190630.db2.gz RZKBFTSZJAZBRU-IUODEOHRSA-N -1 0 327.446 3.585 20 0 EHADRM Cc1c(C(=O)Nc2cccc(C(=O)[O-])c2Cl)cnn1C(C)(C)C ZINC001599984183 986208137 /nfs/dbraw/zinc/20/81/37/986208137.db2.gz QEBIMVVJWPKRHR-UHFFFAOYSA-N -1 0 335.791 3.550 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)c3ccccn3)ccc2n1C1CC1 ZINC001599984612 986212129 /nfs/dbraw/zinc/21/21/29/986212129.db2.gz SWUIMNMBXYHEEF-UHFFFAOYSA-N -1 0 336.347 3.597 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)[C@@H]3CC[C@H]4C[C@H]4C3)ccc2n1C ZINC001599986308 986229393 /nfs/dbraw/zinc/22/93/93/986229393.db2.gz VTOSUQCWYUTMBA-XQQFMLRXSA-N -1 0 327.380 3.527 20 0 EHADRM C[C@@H](C(=O)N1CCC[C@@](C)(C(=O)[O-])C1)c1ccccc1C(F)(F)F ZINC001589357227 986345590 /nfs/dbraw/zinc/34/55/90/986345590.db2.gz WTCJSJGICFUHLL-BDJLRTHQSA-N -1 0 343.345 3.522 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)CCCc1ccsc1 ZINC001597016153 986375017 /nfs/dbraw/zinc/37/50/17/986375017.db2.gz MQEFINBRDWHDSE-UHFFFAOYSA-N -1 0 333.409 3.806 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@H](C)c1cccs1 ZINC001597023209 986428883 /nfs/dbraw/zinc/42/88/83/986428883.db2.gz ZMKFBDQTKJQMAW-SNVBAGLBSA-N -1 0 334.397 3.728 20 0 EHADRM CCOc1ccc(C(=O)O[C@H](C)c2cc(C(=O)[O-])co2)cc1OCC ZINC001597076054 986607478 /nfs/dbraw/zinc/60/74/78/986607478.db2.gz JREOWZUPQGLCHJ-LLVKDONJSA-N -1 0 348.351 3.693 20 0 EHADRM CCOc1ccc(C(C)=O)cc1CSCc1ccc(C(=O)[O-])cn1 ZINC001597079765 986620508 /nfs/dbraw/zinc/62/05/08/986620508.db2.gz TVPFMGRFVZFZBZ-UHFFFAOYSA-N -1 0 345.420 3.815 20 0 EHADRM CCOc1ccc(CNC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC001597101533 986718151 /nfs/dbraw/zinc/71/81/51/986718151.db2.gz XQGUTPFNUKQSIL-UHFFFAOYSA-N -1 0 342.395 3.722 20 0 EHADRM CCOc1ccc(CN2CCc3c(F)ccc(C(=O)[O-])c3C2)cc1F ZINC001597101945 986722991 /nfs/dbraw/zinc/72/29/91/986722991.db2.gz KEYHKOVQWVXTTN-UHFFFAOYSA-N -1 0 347.361 3.620 20 0 EHADRM CCOc1ccc(Cl)c(N[C@@H]2CCCn3nc(C(=O)[O-])cc32)c1 ZINC001597105334 986736766 /nfs/dbraw/zinc/73/67/66/986736766.db2.gz FLICTEZBTGBODR-GFCCVEGCSA-N -1 0 335.791 3.580 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12)C1CCC1 ZINC001589439464 986773594 /nfs/dbraw/zinc/77/35/94/986773594.db2.gz VNHKQCUODGMOGO-GFCCVEGCSA-N -1 0 327.380 3.678 20 0 EHADRM CCOc1ccc(NC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)c(C)c1 ZINC001597118886 986802684 /nfs/dbraw/zinc/80/26/84/986802684.db2.gz LJIGVQPTXIYFBF-AWEZNQCLSA-N -1 0 348.443 3.748 20 0 EHADRM CCOc1ccc(NC(=O)NCCCCCCC(=O)[O-])cc1Cl ZINC001597120344 986810910 /nfs/dbraw/zinc/81/09/10/986810910.db2.gz KPHPZKKMXGKVIP-UHFFFAOYSA-N -1 0 342.823 3.895 20 0 EHADRM C[C@H]1OCC[C@@H]1C(=O)Nc1sc(C2CCCCC2)cc1C(=O)[O-] ZINC001594643206 986815527 /nfs/dbraw/zinc/81/55/27/986815527.db2.gz DNCCWGLUHMTGRK-PWSUYJOCSA-N -1 0 337.441 3.858 20 0 EHADRM C[C@@H](C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2)C(C)(F)F ZINC001589448615 986828746 /nfs/dbraw/zinc/82/87/46/986828746.db2.gz PVAPAFFWWWDVOF-QMMMGPOBSA-N -1 0 331.384 3.945 20 0 EHADRM CCOc1ccc2[nH]c(SCCc3ccccc3C(=O)[O-])nc2c1 ZINC001597146273 986910302 /nfs/dbraw/zinc/91/03/02/986910302.db2.gz XNQGBTYWPIGGOA-UHFFFAOYSA-N -1 0 342.420 3.995 20 0 EHADRM CCOc1cccc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC001597146328 986911292 /nfs/dbraw/zinc/91/12/92/986911292.db2.gz YXWRJTQWLUQMRS-OAHLLOKOSA-N -1 0 334.755 3.721 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1ccc(C(C)(C)C)cn1)c1ccccc1 ZINC001589461543 986912128 /nfs/dbraw/zinc/91/21/28/986912128.db2.gz GGTRAXQKBUYENS-DYVFJYSZSA-N -1 0 340.423 3.571 20 0 EHADRM C[C@H]1c2cc(Cl)c(Cl)cc2CCN1Cc1cc(C(=O)[O-])no1 ZINC001594665749 986961161 /nfs/dbraw/zinc/96/11/61/986961161.db2.gz KXLHAAKPVUNQOP-QMMMGPOBSA-N -1 0 341.194 3.799 20 0 EHADRM C[C@H]1c2ccccc2CCN1CC(=O)c1c[nH]c2ccc(C(=O)[O-])cc12 ZINC001594666890 986968762 /nfs/dbraw/zinc/96/87/62/986968762.db2.gz BBZVNMDFDZGFKH-ZDUSSCGKSA-N -1 0 348.402 3.668 20 0 EHADRM CCOc1ccccc1[C@@H](CC)NC(=O)c1cccc(C(=O)[O-])c1 ZINC001597173256 987015632 /nfs/dbraw/zinc/01/56/32/987015632.db2.gz RUXPLMXTFHYMOA-MRXNPFEDSA-N -1 0 327.380 3.665 20 0 EHADRM CCOc1ccccc1N(C)Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC001597178406 987026722 /nfs/dbraw/zinc/02/67/22/987026722.db2.gz JMGKSPCKBSVDQR-AWEZNQCLSA-N -1 0 329.396 3.574 20 0 EHADRM CCOc1ccccc1Oc1ccccc1C(=O)O[C@@H](C)CC(=O)[O-] ZINC001597185034 987045380 /nfs/dbraw/zinc/04/53/80/987045380.db2.gz HIWISKILXMFJNH-ZDUSSCGKSA-N -1 0 344.363 3.898 20 0 EHADRM C/C=C/C[C@@H]1CCCN(c2ncc(C(=O)[O-])cc2C(F)(F)F)C1 ZINC001594686406 987065540 /nfs/dbraw/zinc/06/55/40/987065540.db2.gz VJDRSLHBLCNKGC-KXMPLOMGSA-N -1 0 328.334 3.981 20 0 EHADRM C/C=C/C[C@H]1CCCN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C1 ZINC001594686413 987065614 /nfs/dbraw/zinc/06/56/14/987065614.db2.gz VOUHGRLSYJVDJQ-VUDBWIFFSA-N -1 0 338.354 3.873 20 0 EHADRM C/C=C\COc1cccc(CC(=O)O[C@@H](C)c2cc(C(=O)[O-])co2)c1 ZINC001594689657 987077371 /nfs/dbraw/zinc/07/73/71/987077371.db2.gz UTEQAPXYKNRATH-SCOBNMCVSA-N -1 0 344.363 3.780 20 0 EHADRM C/C=C/c1ccc(OC(=O)Cc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC001594689748 987078483 /nfs/dbraw/zinc/07/84/83/987078483.db2.gz WXLMVFJETLWYEF-HWKANZROSA-N -1 0 326.348 3.575 20 0 EHADRM CC/C(=C\C(=O)Nc1nc(C)c(C(=O)[O-])s1)c1ccc(OC)cc1 ZINC001594694410 987107611 /nfs/dbraw/zinc/10/76/11/987107611.db2.gz WBINTSIAHHSKGG-PKNBQFBNSA-N -1 0 346.408 3.590 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)C(F)(F)Cc2ccccc2)cc1 ZINC001589505546 987121452 /nfs/dbraw/zinc/12/14/52/987121452.db2.gz ZTXUPSRXSOVFCA-LBPRGKRZSA-N -1 0 333.334 3.691 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CC(C)(c3ccccc3)C2)cc1 ZINC001589507783 987124902 /nfs/dbraw/zinc/12/49/02/987124902.db2.gz CRTFOCXZWFEMIS-CQSZACIVSA-N -1 0 338.407 3.680 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2CC=CC23CCCCC3)cc1 ZINC001589510449 987135574 /nfs/dbraw/zinc/13/55/74/987135574.db2.gz UFFXIQSQCYCURL-AWEZNQCLSA-N -1 0 328.412 3.981 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)Nc2cccc(C(C)(C)O)c2)cc1 ZINC001589511429 987139630 /nfs/dbraw/zinc/13/96/30/987139630.db2.gz CIQUKOUBRQLZJB-LBPRGKRZSA-N -1 0 342.395 3.746 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NC[C@H]2CC(C)(C)OC2(C)C)cc1 ZINC001589512261 987148567 /nfs/dbraw/zinc/14/85/67/987148567.db2.gz JGAQBKCWKIUMJF-GXTWGEPZSA-N -1 0 348.443 3.590 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)C(C)(C)Nc2ccccc2)c1 ZINC001589522676 987180667 /nfs/dbraw/zinc/18/06/67/987180667.db2.gz NHLXNQJFZBYDDX-CYBMUJFWSA-N -1 0 326.396 3.704 20 0 EHADRM CCC(=O)c1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2CC)cc1 ZINC001594716993 987191458 /nfs/dbraw/zinc/19/14/58/987191458.db2.gz LFALPTWDCIGEKC-UHFFFAOYSA-N -1 0 325.364 3.792 20 0 EHADRM CCC(=O)c1ccc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2O)cc1 ZINC001594717233 987193080 /nfs/dbraw/zinc/19/30/80/987193080.db2.gz UMQXPDYJGGETRD-UHFFFAOYSA-N -1 0 347.754 3.589 20 0 EHADRM CCC(=O)c1cc(C(=O)OCc2ccc(F)cc2C(=O)[O-])ccc1F ZINC001594718432 987198819 /nfs/dbraw/zinc/19/88/19/987198819.db2.gz UARFLFAAWZYJCN-UHFFFAOYSA-N -1 0 348.301 3.613 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cc3c(ccnc3Cl)o2)c1 ZINC001589531444 987203008 /nfs/dbraw/zinc/20/30/08/987203008.db2.gz GMNXVCMKMOZNDT-SECBINFHSA-N -1 0 344.754 3.922 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cc(Cl)c(F)cc2N)c1 ZINC001589532245 987212637 /nfs/dbraw/zinc/21/26/37/987212637.db2.gz PFEILQAPNZWTTJ-MRVPVSSYSA-N -1 0 336.750 3.502 20 0 EHADRM C[C@H](C(=O)O[C@H](Cc1ccccc1)C(=O)[O-])c1ccc(Cl)s1 ZINC001589540755 987247723 /nfs/dbraw/zinc/24/77/23/987247723.db2.gz QXMLQQMHBSYGDJ-CMPLNLGQSA-N -1 0 338.812 3.744 20 0 EHADRM C[C@@H](C(=O)Oc1ccc(C(=O)[O-])cc1Br)C1CCCC1 ZINC001589553647 987292591 /nfs/dbraw/zinc/29/25/91/987292591.db2.gz PUXNAGSWDLAPLS-SECBINFHSA-N -1 0 341.201 3.879 20 0 EHADRM CCSc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2CC)cn1 ZINC001597271160 987317932 /nfs/dbraw/zinc/31/79/32/987317932.db2.gz XFOZRQUTAOPGJJ-UHFFFAOYSA-N -1 0 330.409 3.707 20 0 EHADRM CCSc1cccc(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC001597273399 987328327 /nfs/dbraw/zinc/32/83/27/987328327.db2.gz UDVCOCBCULBFSA-IBGZPJMESA-N -1 0 343.448 3.571 20 0 EHADRM CC(C)(C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1)c1cccc(F)c1 ZINC001589566808 987330264 /nfs/dbraw/zinc/33/02/64/987330264.db2.gz FYVWGIAMCQRRQW-MRXNPFEDSA-N -1 0 335.419 3.501 20 0 EHADRM CCSc1ccccc1CC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC001597279545 987343133 /nfs/dbraw/zinc/34/31/33/987343133.db2.gz KLMSGQBOTXLCPZ-SFHVURJKSA-N -1 0 343.448 3.625 20 0 EHADRM CCSc1nnc(SCc2ccc(C)c(C(=O)[O-])c2)s1 ZINC001597282193 987353553 /nfs/dbraw/zinc/35/35/53/987353553.db2.gz CUKVFDLEEWWTKS-UHFFFAOYSA-N -1 0 326.468 3.949 20 0 EHADRM CC(C)(C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1)c1cccnc1 ZINC001589581048 987361415 /nfs/dbraw/zinc/36/14/15/987361415.db2.gz XHZUJJFRTSCZLO-UHFFFAOYSA-N -1 0 334.375 3.849 20 0 EHADRM CC[C@@H]1CC[C@@H](C)N(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC001597293037 987388328 /nfs/dbraw/zinc/38/83/28/987388328.db2.gz CRVFGMLQFKIPCA-ZIAGYGMSSA-N -1 0 334.416 3.583 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)N[C@@H](C1CC1)C1CCC1)c1ccccc1 ZINC001589592807 987404231 /nfs/dbraw/zinc/40/42/31/987404231.db2.gz CHJFDDCIWWGYCV-SJORKVTESA-N -1 0 344.455 3.716 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)NC[C@@H]1C[C@H]1C1CCC1)c1ccccc1 ZINC001589593256 987407145 /nfs/dbraw/zinc/40/71/45/987407145.db2.gz GGMPRBQDIIGEGZ-YESZJQIVSA-N -1 0 344.455 3.574 20 0 EHADRM CC[C@H](NC(=O)Nc1cccc(C(=O)[O-])c1OC)c1ccc(F)cc1 ZINC001597335825 987472665 /nfs/dbraw/zinc/47/26/65/987472665.db2.gz DZBQYHRYSYDNIF-AWEZNQCLSA-N -1 0 346.358 3.805 20 0 EHADRM CC[C@H]1CC[C@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC001597354539 987497104 /nfs/dbraw/zinc/49/71/04/987497104.db2.gz HZJSBKFPLTZNEG-MGCOHNPYSA-N -1 0 326.343 3.753 20 0 EHADRM CCc1[nH]c(C(=O)Nc2cc(F)ccc2NC2CC2)c(C)c1C(=O)[O-] ZINC001597372850 987556387 /nfs/dbraw/zinc/55/63/87/987556387.db2.gz HSJCSOMPHUGLTD-UHFFFAOYSA-N -1 0 345.374 3.549 20 0 EHADRM CC(C)(C)C(F)(F)CNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001589637727 987557088 /nfs/dbraw/zinc/55/70/88/987557088.db2.gz IQMIPUWKDAHXMI-UHFFFAOYSA-N -1 0 342.386 3.852 20 0 EHADRM CCc1[nH]c(CN(C)Cc2nc3ccccc3s2)cc1C(=O)[O-] ZINC001597380799 987580008 /nfs/dbraw/zinc/58/00/08/987580008.db2.gz YTTYIQJPLASDAU-UHFFFAOYSA-N -1 0 329.425 3.517 20 0 EHADRM CCc1[nH]c(CN2CCO[C@@H](c3ccccc3Cl)C2)cc1C(=O)[O-] ZINC001597386310 987603110 /nfs/dbraw/zinc/60/31/10/987603110.db2.gz IHGZDBAWSNBUDU-QGZVFWFLSA-N -1 0 348.830 3.502 20 0 EHADRM CCc1c2ccccc2oc1C(=O)N[C@@H](C(=O)[O-])c1ccsc1 ZINC001597406555 987683644 /nfs/dbraw/zinc/68/36/44/987683644.db2.gz VTDOIHMOHQSOKG-CQSZACIVSA-N -1 0 329.377 3.612 20 0 EHADRM CCc1c(C(=O)Nc2ccc(F)c(C(=O)[O-])c2C)cnn1C(C)(C)C ZINC001597411833 987703086 /nfs/dbraw/zinc/70/30/86/987703086.db2.gz UPLIWYJHYXAFFQ-UHFFFAOYSA-N -1 0 347.390 3.599 20 0 EHADRM CCc1c(C(=O)OCc2cc(C(=O)[O-])c(C)o2)cnn1C1CCCC1 ZINC001597415197 987714502 /nfs/dbraw/zinc/71/45/02/987714502.db2.gz MQIWBVRMFYVFGT-UHFFFAOYSA-N -1 0 346.383 3.517 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)[C@H](C)CSC(F)(F)F)s1 ZINC001597440259 987798558 /nfs/dbraw/zinc/79/85/58/987798558.db2.gz BUAVMUXXWMRCBI-ZCFIWIBFSA-N -1 0 341.376 3.836 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)C(C)(C)c1ccc(OC)cc1 ZINC001597447077 987826524 /nfs/dbraw/zinc/82/65/24/987826524.db2.gz OHPHEJLXGNTSPP-UHFFFAOYSA-N -1 0 341.407 3.872 20 0 EHADRM CC(C)(C)C(F)(F)CNC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001589712298 987843812 /nfs/dbraw/zinc/84/38/12/987843812.db2.gz SDXYXXOWQJPDEN-UHFFFAOYSA-N -1 0 339.342 3.669 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC001597454107 987859719 /nfs/dbraw/zinc/85/97/19/987859719.db2.gz YSMAZTDANJWUNN-YLQAJVPDSA-N -1 0 330.428 3.990 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1sc(NC2CC2)nc1C ZINC001597466284 987911244 /nfs/dbraw/zinc/91/12/44/987911244.db2.gz QLNMXKFATMMBDX-UHFFFAOYSA-N -1 0 345.424 3.539 20 0 EHADRM CC(C)(C)C1CC(C(=O)OCc2c(F)cc(C(=O)[O-])cc2F)C1 ZINC001589727076 987919988 /nfs/dbraw/zinc/91/99/88/987919988.db2.gz VYXYXSGGUNIBBB-UHFFFAOYSA-N -1 0 326.339 3.779 20 0 EHADRM CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)Cc1ccccc1C(=O)[O-] ZINC001589729435 987944113 /nfs/dbraw/zinc/94/41/13/987944113.db2.gz YNLKDLQPXRHZSU-NVXWUHKLSA-N -1 0 331.456 3.896 20 0 EHADRM CCc1cc(Cl)c(Cl)cc1OCc1noc(CCC(=O)[O-])n1 ZINC001597478158 987957509 /nfs/dbraw/zinc/95/75/09/987957509.db2.gz DHYBVQVTBLMZLL-UHFFFAOYSA-N -1 0 345.182 3.535 20 0 EHADRM CCc1cc(NC(=O)NC[C@H](C(=O)[O-])c2ccc(C)cc2)ccc1F ZINC001597481950 987974667 /nfs/dbraw/zinc/97/46/67/987974667.db2.gz WHTAFCVCSBHUTF-INIZCTEOSA-N -1 0 344.386 3.686 20 0 EHADRM CS[C@@H]1CCC[C@@H](NC(=O)Nc2c(C)sc(C)c2C(=O)[O-])C1 ZINC001599789366 987980265 /nfs/dbraw/zinc/98/02/65/987980265.db2.gz RUXWLKSLESDRMN-GHMZBOCLSA-N -1 0 342.486 3.859 20 0 EHADRM CC(C)(C)[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])nc2)c2ccccc21 ZINC001589735269 987984306 /nfs/dbraw/zinc/98/43/06/987984306.db2.gz PXMGSYKBIRWYAF-AWEZNQCLSA-N -1 0 339.395 3.962 20 0 EHADRM CC(C)(C)[C@@H]1CCc2nc(NC(=O)c3c[nH]c(C(=O)[O-])c3)sc2C1 ZINC001589735648 987988068 /nfs/dbraw/zinc/98/80/68/987988068.db2.gz XCWQTKAXEDYXEJ-SNVBAGLBSA-N -1 0 347.440 3.573 20 0 EHADRM CCc1ccc(C(=O)CCC(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC001597498457 988045522 /nfs/dbraw/zinc/04/55/22/988045522.db2.gz COTAZGLNWVLQLU-LBPRGKRZSA-N -1 0 344.363 3.808 20 0 EHADRM CCc1ccc(C(=O)N2CCCC[C@@H]2c2ccc(C(=O)[O-])n2C)cc1 ZINC001597499038 988051003 /nfs/dbraw/zinc/05/10/03/988051003.db2.gz VWHAZTAHMBQDAP-QGZVFWFLSA-N -1 0 340.423 3.653 20 0 EHADRM CCc1ccc(C(C)(C)C(=O)Oc2ccc(CC(=O)[O-])cc2F)cc1 ZINC001597509131 988090269 /nfs/dbraw/zinc/09/02/69/988090269.db2.gz YJDHOEAYCRMPQU-UHFFFAOYSA-N -1 0 344.382 3.898 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N(CC)c2ncc(C(=O)[O-])s2)cc1 ZINC001597511990 988095604 /nfs/dbraw/zinc/09/56/04/988095604.db2.gz NQAHPLSMLUYHFI-GFCCVEGCSA-N -1 0 346.452 3.950 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N[C@@](CC)(C(=O)[O-])c2ccccc2)cc1 ZINC001597512209 988096850 /nfs/dbraw/zinc/09/68/50/988096850.db2.gz SLGBDOBSYUNAMJ-QVKFZJNVSA-N -1 0 339.435 3.859 20 0 EHADRM CC(C)(C)C[C@@H]1CCCN1C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001589764389 988101156 /nfs/dbraw/zinc/10/11/56/988101156.db2.gz JCPMRCPTFZOIMP-NSHDSACASA-N -1 0 339.823 3.866 20 0 EHADRM CCc1ccc([C@H](COC)N[C@H](C(=O)[O-])c2cccc(Cl)c2)o1 ZINC001597513055 988103705 /nfs/dbraw/zinc/10/37/05/988103705.db2.gz JDSBRMBADPVJEC-HOCLYGCPSA-N -1 0 337.803 3.598 20 0 EHADRM CSCCCCC(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC001599797400 988119055 /nfs/dbraw/zinc/11/90/55/988119055.db2.gz IDUVOUYQLGMONX-UHFFFAOYSA-N -1 0 349.496 3.699 20 0 EHADRM CC(C)(C)CCCCC(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001589771736 988124317 /nfs/dbraw/zinc/12/43/17/988124317.db2.gz DZZXUZHUIHSBID-FQEVSTJZSA-N -1 0 331.456 3.848 20 0 EHADRM CC(C)(C)CN(Cc1ccccc1)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001589780959 988158155 /nfs/dbraw/zinc/15/81/55/988158155.db2.gz UGQUPNJDQBBCPX-QGZVFWFLSA-N -1 0 346.471 3.745 20 0 EHADRM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001589784642 988168058 /nfs/dbraw/zinc/16/80/58/988168058.db2.gz ZNVHOOFLFOOGRY-GOEBONIOSA-N -1 0 343.423 3.862 20 0 EHADRM CCc1ccc(F)cc1C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1 ZINC001597530607 988186563 /nfs/dbraw/zinc/18/65/63/988186563.db2.gz HMSGMWVGPACSDF-UHFFFAOYSA-N -1 0 334.372 3.673 20 0 EHADRM CSCc1ccc(C(=O)N2c3cccc(C)c3C[C@H]2C(=O)[O-])cc1 ZINC001599802243 988195986 /nfs/dbraw/zinc/19/59/86/988195986.db2.gz HQUGFSRRHXYCNN-KRWDZBQOSA-N -1 0 341.432 3.514 20 0 EHADRM CSCc1cccc(NC(=O)NCCc2cccc(C(=O)[O-])c2)c1 ZINC001599803151 988210351 /nfs/dbraw/zinc/21/03/51/988210351.db2.gz MZRPHJAQEATOGO-UHFFFAOYSA-N -1 0 344.436 3.612 20 0 EHADRM CCc1ccc(NC(=O)CCc2cc(F)ccc2F)c(C(=O)[O-])c1 ZINC001597542460 988230608 /nfs/dbraw/zinc/23/06/08/988230608.db2.gz CPJHNCRGEGKMES-UHFFFAOYSA-N -1 0 333.334 3.797 20 0 EHADRM CSc1c(F)cc(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1F ZINC001599805972 988256183 /nfs/dbraw/zinc/25/61/83/988256183.db2.gz FWIGDTYNMIWOFM-HWKANZROSA-N -1 0 339.319 3.630 20 0 EHADRM CCc1ccc(NC(=O)c2coc3c2cccc3OC)c(C(=O)[O-])c1 ZINC001597550475 988267069 /nfs/dbraw/zinc/26/70/69/988267069.db2.gz DDLFJKDYPYRFDO-UHFFFAOYSA-N -1 0 339.347 3.954 20 0 EHADRM CCc1ccc(NC(=O)c2cccc(OC(C)(C)C)n2)c(C(=O)[O-])c1 ZINC001597551212 988272891 /nfs/dbraw/zinc/27/28/91/988272891.db2.gz WBHZUFSMLANBTM-UHFFFAOYSA-N -1 0 342.395 3.772 20 0 EHADRM CSc1cc(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])ccn1 ZINC001599807753 988283764 /nfs/dbraw/zinc/28/37/64/988283764.db2.gz UVQCXYFOYYOUKA-UHFFFAOYSA-N -1 0 330.409 3.877 20 0 EHADRM CCc1ccc(OC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)c(C(C)(C)C)c1 ZINC001597556003 988284461 /nfs/dbraw/zinc/28/44/61/988284461.db2.gz FBOFVNVUQUILFO-LSDHHAIUSA-N -1 0 348.439 3.722 20 0 EHADRM CSc1cc(C)c(C(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)o1 ZINC001599809030 988301347 /nfs/dbraw/zinc/30/13/47/988301347.db2.gz XGHKUNRPFFOOSX-UHFFFAOYSA-N -1 0 338.410 3.594 20 0 EHADRM CSc1cc(Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)nc(SC)n1 ZINC001599809937 988316973 /nfs/dbraw/zinc/31/69/73/988316973.db2.gz VDSCHRNLAYQOMO-SNVBAGLBSA-N -1 0 349.481 3.927 20 0 EHADRM CCc1ccc2c(c1)CN(C(=O)CC1(CC(=O)[O-])CCCC1)CC2 ZINC001597569725 988338852 /nfs/dbraw/zinc/33/88/52/988338852.db2.gz VVJURAFOBYPAQA-UHFFFAOYSA-N -1 0 329.440 3.559 20 0 EHADRM CCc1ccc2nc(NC(=O)c3cccc(CC(=O)[O-])c3)sc2c1 ZINC001597570582 988346649 /nfs/dbraw/zinc/34/66/49/988346649.db2.gz QTHNXTWQWVGYGD-UHFFFAOYSA-N -1 0 340.404 3.738 20 0 EHADRM CCc1ccc2occ(C(=O)Oc3c(OC)cccc3C(=O)[O-])c2c1 ZINC001597570621 988347823 /nfs/dbraw/zinc/34/78/23/988347823.db2.gz UAJVQUVXJLRACF-UHFFFAOYSA-N -1 0 340.331 3.921 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001597576245 988364705 /nfs/dbraw/zinc/36/47/05/988364705.db2.gz JCHMECDOFUYLBO-LBPRGKRZSA-N -1 0 329.371 3.904 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC001597576748 988367924 /nfs/dbraw/zinc/36/79/24/988367924.db2.gz SNRDOFJAPSFIBM-SNVBAGLBSA-N -1 0 333.334 3.968 20 0 EHADRM CSc1ccc(Cl)c(C(=O)OCc2occc2C(=O)[O-])c1 ZINC001599815030 988407687 /nfs/dbraw/zinc/40/76/87/988407687.db2.gz SJXAXPAMANAUDI-UHFFFAOYSA-N -1 0 326.757 3.710 20 0 EHADRM CCc1cccc(OCC(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)c1 ZINC001597597577 988444708 /nfs/dbraw/zinc/44/47/08/988444708.db2.gz AQEYXHRUVPPRBA-UHFFFAOYSA-N -1 0 348.424 3.545 20 0 EHADRM CSc1ccc(NC(=O)N2CC(C)(CC(F)F)C2)cc1C(=O)[O-] ZINC001599818035 988461266 /nfs/dbraw/zinc/46/12/66/988461266.db2.gz ZVUSKBVTAGNIHC-UHFFFAOYSA-N -1 0 344.383 3.616 20 0 EHADRM CSc1ccc(NC(=O)NCc2cc(C(C)C)no2)cc1C(=O)[O-] ZINC001599819551 988487412 /nfs/dbraw/zinc/48/74/12/988487412.db2.gz ZZSKLZLVHCYCAK-UHFFFAOYSA-N -1 0 349.412 3.540 20 0 EHADRM CC(C)(C)OC(=O)CCc1cccc(NCc2ccc(C(=O)[O-])[nH]2)c1 ZINC001589877824 988542115 /nfs/dbraw/zinc/54/21/15/988542115.db2.gz IBQLEUUIBJRHBW-UHFFFAOYSA-N -1 0 344.411 3.599 20 0 EHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001597621052 988543893 /nfs/dbraw/zinc/54/38/93/988543893.db2.gz AJWKKRXMOCDDIO-YTQUADARSA-N -1 0 343.467 3.750 20 0 EHADRM CSc1ccccc1CC(=O)N(CCC(=O)[O-])c1ccccc1C ZINC001599823529 988556193 /nfs/dbraw/zinc/55/61/93/988556193.db2.gz VGHOVQOXVPUZJX-UHFFFAOYSA-N -1 0 343.448 3.767 20 0 EHADRM CCc1ccnc(C(=O)Nc2cc(Cl)c(Cl)cc2C(=O)[O-])c1 ZINC001597623300 988572806 /nfs/dbraw/zinc/57/28/06/988572806.db2.gz YMAYBLLSSZMUNQ-UHFFFAOYSA-N -1 0 339.178 3.901 20 0 EHADRM CCc1cnc(CN(C)[C@@H](C(=O)[O-])c2c(F)cccc2Cl)s1 ZINC001597627799 988584794 /nfs/dbraw/zinc/58/47/94/988584794.db2.gz TYCSKBBZFAFRDL-CQSZACIVSA-N -1 0 342.823 3.756 20 0 EHADRM CSc1cccnc1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001599825830 988596640 /nfs/dbraw/zinc/59/66/40/988596640.db2.gz RVDMWAXAOJOUIC-UHFFFAOYSA-N -1 0 344.417 3.969 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)Nc1ccc(CCCc2ccccc2)cc1 ZINC001599832581 988695958 /nfs/dbraw/zinc/69/59/58/988695958.db2.gz ILBIJYZQBXBUKL-HNNXBMFYSA-N -1 0 340.423 3.847 20 0 EHADRM CCc1nc(C)c([C@H](C)OC(=O)c2ccc(C(=O)[O-])cc2F)s1 ZINC001597657604 988719332 /nfs/dbraw/zinc/71/93/32/988719332.db2.gz NEJKQUGJSWBLSJ-VIFPVBQESA-N -1 0 337.372 3.769 20 0 EHADRM C[C@@H](CC1CCCCC1)NC(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001599834821 988725782 /nfs/dbraw/zinc/72/57/82/988725782.db2.gz NGMZNTQUOSTLEO-LBPRGKRZSA-N -1 0 336.407 3.933 20 0 EHADRM CCc1nc(C)cc(Nc2cccc(CSCCC(=O)[O-])c2)n1 ZINC001597660930 988728343 /nfs/dbraw/zinc/72/83/43/988728343.db2.gz GZSVLJWXVZQZGI-UHFFFAOYSA-N -1 0 331.441 3.799 20 0 EHADRM C[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC001599837923 988774909 /nfs/dbraw/zinc/77/49/09/988774909.db2.gz SREHULVLJPRGTC-YWZLYKJASA-N -1 0 347.414 3.961 20 0 EHADRM CCc1nc(NC(=O)[C@@]2(C)CCCc3ccccc32)sc1C(=O)[O-] ZINC001597676373 988791411 /nfs/dbraw/zinc/79/14/11/988791411.db2.gz WLKJQCGGZZJOMJ-SFHVURJKSA-N -1 0 344.436 3.636 20 0 EHADRM CCc1nc(NC(=O)C[C@@H]2CCc3ccccc3C2)sc1C(=O)[O-] ZINC001597678280 988796098 /nfs/dbraw/zinc/79/60/98/988796098.db2.gz MAZRSPQBGFONCS-LLVKDONJSA-N -1 0 344.436 3.537 20 0 EHADRM CCc1nc(NC(=O)c2cc3sccc3c(O)c2)sc1C(=O)[O-] ZINC001597681648 988814130 /nfs/dbraw/zinc/81/41/30/988814130.db2.gz GLUDWDSCUQIZNU-UHFFFAOYSA-N -1 0 348.405 3.576 20 0 EHADRM CCc1nc(S[C@H](C(=O)[O-])c2ccccc2Cl)[nH]c(=O)c1C ZINC001597689426 988859871 /nfs/dbraw/zinc/85/98/71/988859871.db2.gz KCVMBIAJJMDWPW-LBPRGKRZSA-N -1 0 338.816 3.624 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)NCC(C)(C)CC(=O)[O-] ZINC001599847611 988959881 /nfs/dbraw/zinc/95/98/81/988959881.db2.gz TWXXZUQJLOPUMD-NSHDSACASA-N -1 0 326.824 3.543 20 0 EHADRM CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cccc(CCC(=O)[O-])c2)C1 ZINC001590014730 988982915 /nfs/dbraw/zinc/98/29/15/988982915.db2.gz FSGBWYUBKPOTDD-MRXNPFEDSA-N -1 0 348.443 3.515 20 0 EHADRM C[C@@H]1CN(C(=O)C2(c3ccc(F)cc3)CCCCC2)C[C@H]1CC(=O)[O-] ZINC001599852392 989034106 /nfs/dbraw/zinc/03/41/06/989034106.db2.gz BBJOIKSBXXEVNL-HUUCEWRRSA-N -1 0 347.430 3.597 20 0 EHADRM C[C@@H]1CN(C(=O)CSc2ccc(C(C)(C)C)cc2)C[C@H]1CC(=O)[O-] ZINC001599855116 989075433 /nfs/dbraw/zinc/07/54/33/989075433.db2.gz YFBJHWOEAXCQHI-ZIAGYGMSSA-N -1 0 349.496 3.645 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN1C[C@H](C)Oc2ccc(Cl)cc21 ZINC001597762327 989195049 /nfs/dbraw/zinc/19/50/49/989195049.db2.gz CPXPCBWGTZRCCH-JTQLQIEISA-N -1 0 335.787 3.981 20 0 EHADRM C[C@@H]1CN(c2oc(-c3ccccc3)nc2C(F)(F)F)C[C@H]1C(=O)[O-] ZINC001599873056 989379507 /nfs/dbraw/zinc/37/95/07/989379507.db2.gz VJPRPWPTLSQVRI-MWLCHTKSSA-N -1 0 340.301 3.517 20 0 EHADRM CCc1oc2ccccc2c1C(=O)Oc1c(OC)cccc1C(=O)[O-] ZINC001597807578 989419289 /nfs/dbraw/zinc/41/92/89/989419289.db2.gz CSOBMJVWLBTSKN-UHFFFAOYSA-N -1 0 340.331 3.921 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1ccc(-c2ccccc2)s1 ZINC001599878504 989451511 /nfs/dbraw/zinc/45/15/11/989451511.db2.gz SUAYYRHNZWUIAN-TZMCWYRMSA-N -1 0 329.421 3.740 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1ccc(Cl)cc1C(F)(F)F ZINC001599878543 989451539 /nfs/dbraw/zinc/45/15/39/989451539.db2.gz YDFJEFGXMGQWPI-RKDXNWHRSA-N -1 0 349.736 3.684 20 0 EHADRM CCn1cc(Cc2nc(-c3cc(C(=O)[O-])co3)no2)c2ccccc21 ZINC001597890032 989742953 /nfs/dbraw/zinc/74/29/53/989742953.db2.gz CAMAJZUHHQACHK-UHFFFAOYSA-N -1 0 337.335 3.593 20 0 EHADRM CC(C)(C)OC1CC(Cc2nc(-c3cccc(C(=O)[O-])c3)no2)C1 ZINC001590374046 989865329 /nfs/dbraw/zinc/86/53/29/989865329.db2.gz CLBIXSQDTJGLHZ-UHFFFAOYSA-N -1 0 330.384 3.571 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)NCCC(C)(C)C(=O)[O-])c1 ZINC001590398618 989930206 /nfs/dbraw/zinc/93/02/06/989930206.db2.gz JXBBHOYJVJVIKD-UHFFFAOYSA-N -1 0 336.432 3.624 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)NC[C@@H](CC(=O)[O-])C2CC2)c1 ZINC001590399115 989933335 /nfs/dbraw/zinc/93/33/35/989933335.db2.gz WICRKIBSYJDNST-OAHLLOKOSA-N -1 0 348.443 3.624 20 0 EHADRM CC(C)(C)Oc1ccccc1NC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001590420114 989962953 /nfs/dbraw/zinc/96/29/53/989962953.db2.gz NLKDRTIPBPBZSE-CMDGGOBGSA-N -1 0 329.352 3.807 20 0 EHADRM CC(C)(C)Oc1cccc(NC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)c1 ZINC001590420243 989964180 /nfs/dbraw/zinc/96/41/80/989964180.db2.gz QEGVSQIXIFSGHP-AWEZNQCLSA-N -1 0 336.432 3.875 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)c2cccn3nccc23)s1 ZINC001590464130 990040647 /nfs/dbraw/zinc/04/06/47/990040647.db2.gz WGOFDOOPQHQOSH-UHFFFAOYSA-N -1 0 343.408 3.644 20 0 EHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(Cl)[nH]2)cc1 ZINC001590480293 990062787 /nfs/dbraw/zinc/06/27/87/990062787.db2.gz NTYDMVDJWXBWQU-CQSZACIVSA-N -1 0 348.830 3.911 20 0 EHADRM CN(C(=O)[C@@H](OCC1CCCC1)c1ccccc1)C(C)(C)CC(=O)[O-] ZINC001597991676 990096748 /nfs/dbraw/zinc/09/67/48/990096748.db2.gz SMQUTUMFLBQERA-SFHVURJKSA-N -1 0 347.455 3.646 20 0 EHADRM CC(C)(C)c1cccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])c1 ZINC001590498953 990111062 /nfs/dbraw/zinc/11/10/62/990111062.db2.gz NBSZGGGCDGTUSU-GOSISDBHSA-N -1 0 337.419 3.636 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)Oc2cccc(C(=O)[O-])c2)s1 ZINC001590500637 990114871 /nfs/dbraw/zinc/11/48/71/990114871.db2.gz HRRTWHCOKGMMCW-UHFFFAOYSA-N -1 0 340.422 3.512 20 0 EHADRM CC(C)(C)c1ccc2[nH]c(C(=O)N[C@@](C)(CC(=O)[O-])C3CC3)cc2c1 ZINC001590501012 990116595 /nfs/dbraw/zinc/11/65/95/990116595.db2.gz NYIXORWDYQRLFF-FQEVSTJZSA-N -1 0 342.439 3.839 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001590506172 990122290 /nfs/dbraw/zinc/12/22/90/990122290.db2.gz UDFXDIMWNJCQTO-DJJJIMSYSA-N -1 0 330.428 3.703 20 0 EHADRM CC(C)(C)c1cnc(COC(=O)c2ccc(C(=O)[O-])s2)s1 ZINC001590516013 990133947 /nfs/dbraw/zinc/13/39/47/990133947.db2.gz VURVVNLIGNKLEM-UHFFFAOYSA-N -1 0 325.411 3.557 20 0 EHADRM CN(C(=O)/C=C\c1ccc(C(=O)[O-])o1)c1c(Cl)cccc1Cl ZINC001598006489 990159888 /nfs/dbraw/zinc/15/98/88/990159888.db2.gz ORRZGEUOTBGMRL-VURMDHGXSA-N -1 0 340.162 3.961 20 0 EHADRM CN(C(=O)CC(C)(C)CC(=O)[O-])c1nc2c(cccc2Cl)s1 ZINC001598007958 990168857 /nfs/dbraw/zinc/16/88/57/990168857.db2.gz OUJTUUOXHKCLMW-UHFFFAOYSA-N -1 0 340.832 3.804 20 0 EHADRM CN(C(=O)CC1(C)CC1)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598008313 990170946 /nfs/dbraw/zinc/17/09/46/990170946.db2.gz VDQKEQMFFPEKTP-ZDUSSCGKSA-N -1 0 330.211 3.768 20 0 EHADRM CC(C)(C)c1ncc(/C=C/C(=O)O[C@@H](C(=O)[O-])c2ccccc2)s1 ZINC001590555880 990193988 /nfs/dbraw/zinc/19/39/88/990193988.db2.gz BXGNOQXCZLFMNF-BOLDSZDNSA-N -1 0 345.420 3.823 20 0 EHADRM CN(C(=O)N[C@@H](c1ccccc1F)C1CCCC1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598049300 990294697 /nfs/dbraw/zinc/29/46/97/990294697.db2.gz MIWXIIFHOMPVBT-JKIFEVAISA-N -1 0 348.418 3.562 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N(Cc1ccsc1)c1cccnc1 ZINC001590626267 990312968 /nfs/dbraw/zinc/31/29/68/990312968.db2.gz CKBRSBYLGMUXJZ-UHFFFAOYSA-N -1 0 332.425 3.567 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001590628789 990320012 /nfs/dbraw/zinc/32/00/12/990320012.db2.gz XLWKWWDYYYTJAY-DZGCQCFKSA-N -1 0 337.847 3.983 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Oc1ccc(OCC2CC2)c(Cl)c1 ZINC001590637704 990328932 /nfs/dbraw/zinc/32/89/32/990328932.db2.gz SPJRIXKWXXNLGK-UHFFFAOYSA-N -1 0 340.803 3.925 20 0 EHADRM CN(C(=O)Nc1ccccc1Cc1ccccc1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598061891 990336571 /nfs/dbraw/zinc/33/65/71/990336571.db2.gz PQWCNIWXYQVPMC-CALCHBBNSA-N -1 0 338.407 3.604 20 0 EHADRM CN(C(=O)c1ccc([C@H]2CCCOC2)cc1)c1ccccc1C(=O)[O-] ZINC001598083424 990411543 /nfs/dbraw/zinc/41/15/43/990411543.db2.gz XMAAFMZRESQLAH-INIZCTEOSA-N -1 0 339.391 3.555 20 0 EHADRM CC(C)(CNC(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1)CC(=O)[O-] ZINC001590723767 990506449 /nfs/dbraw/zinc/50/64/49/990506449.db2.gz DMGJFDSCWAJQFU-CVEARBPZSA-N -1 0 332.444 3.513 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(C(=O)[O-])s1)c1ccccc1F ZINC001590734237 990527564 /nfs/dbraw/zinc/52/75/64/990527564.db2.gz GPNLXZMDHZSPRM-UHFFFAOYSA-N -1 0 336.388 3.685 20 0 EHADRM CC(C)(CNC(=O)c1cc2c(cccc2Cl)s1)CC(=O)[O-] ZINC001590749135 990547173 /nfs/dbraw/zinc/54/71/73/990547173.db2.gz GTVZOSCRDNOKKS-UHFFFAOYSA-N -1 0 325.817 3.785 20 0 EHADRM CC(C)(CNc1nc2c(cccc2Br)s1)CC(=O)[O-] ZINC001590780119 990592462 /nfs/dbraw/zinc/59/24/62/990592462.db2.gz MPHPCVLZEPANCO-UHFFFAOYSA-N -1 0 343.246 3.972 20 0 EHADRM CC(C)(CNc1nccnc1C(=O)[O-])c1c(Cl)cccc1Cl ZINC001590780206 990593593 /nfs/dbraw/zinc/59/35/93/990593593.db2.gz UIRZAENGPHTWLE-UHFFFAOYSA-N -1 0 340.210 3.871 20 0 EHADRM CC(C)(Cc1ccc(Cl)cc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001590822144 990663275 /nfs/dbraw/zinc/66/32/75/990663275.db2.gz WRHMNOKSZRHQBO-UHFFFAOYSA-N -1 0 345.826 3.923 20 0 EHADRM CC(C)(NCc1ccc(F)c(C(F)(F)F)c1)c1cc(C(=O)[O-])on1 ZINC001590872800 990782786 /nfs/dbraw/zinc/78/27/86/990782786.db2.gz UFVVNRZZNZYKGO-UHFFFAOYSA-N -1 0 346.280 3.556 20 0 EHADRM CC(C)(c1ccc(NC(=O)c2ccc(C(=O)[O-])[nH]2)cc1)C(F)(F)F ZINC001590909083 990878935 /nfs/dbraw/zinc/87/89/35/990878935.db2.gz QXAMNANBPSDAJH-UHFFFAOYSA-N -1 0 340.301 3.805 20 0 EHADRM COc1cccc([C@H]2C[C@H](N(C)c3ncc(C(=O)[O-])cc3Cl)C2)c1 ZINC001599687734 991014464 /nfs/dbraw/zinc/01/44/64/991014464.db2.gz ZJMSTYMTBYLNOQ-MQMHXKEQSA-N -1 0 346.814 3.824 20 0 EHADRM CC(C)[C@H](C(=O)OCc1c(Cl)cccc1C(=O)[O-])c1cccnc1 ZINC001590960392 991051635 /nfs/dbraw/zinc/05/16/35/991051635.db2.gz CSTXQURATAHCAT-INIZCTEOSA-N -1 0 347.798 3.916 20 0 EHADRM COc1cccc2c1[C@@H](C(=O)OCc1cc(C(=O)[O-])sc1C)CC2 ZINC001599690142 991055062 /nfs/dbraw/zinc/05/50/62/991055062.db2.gz UQTCBCWIHDATML-ZDUSSCGKSA-N -1 0 346.404 3.537 20 0 EHADRM CC(C)C(C)(C)CNC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001590964249 991069719 /nfs/dbraw/zinc/06/97/19/991069719.db2.gz YFQWGEFDQLVXIJ-UHFFFAOYSA-N -1 0 330.787 3.981 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001590967598 991082696 /nfs/dbraw/zinc/08/26/96/991082696.db2.gz ATBLZGUWNIEQPA-LJQANCHMSA-N -1 0 326.396 3.623 20 0 EHADRM CC(C)[C@H](CCc1ccccc1)C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001590980712 991134037 /nfs/dbraw/zinc/13/40/37/991134037.db2.gz JDSGTAKEMFTXEP-OKZBNKHCSA-N -1 0 331.456 3.651 20 0 EHADRM CC(C)[C@H](CCc1ccccc1)C(=O)Nc1cccc(C(=O)[O-])c1N ZINC001590981250 991139451 /nfs/dbraw/zinc/13/94/51/991139451.db2.gz RMZZGZIGOFOWTE-HNNXBMFYSA-N -1 0 340.423 3.811 20 0 EHADRM CC(C)[C@@H](CNC(=O)CC1(CC(=O)[O-])CCCC1)Nc1ccccc1 ZINC001590982434 991151149 /nfs/dbraw/zinc/15/11/49/991151149.db2.gz NZZMSHFHLLKGNP-QGZVFWFLSA-N -1 0 346.471 3.665 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001599698415 991183019 /nfs/dbraw/zinc/18/30/19/991183019.db2.gz ZESUWEIPAQNSDU-WXFJXSOESA-N -1 0 345.439 3.638 20 0 EHADRM CC(C)[C@H](CNC(=O)c1cccc(C(=O)[O-])n1)c1ccc(Cl)cc1 ZINC001590989181 991194795 /nfs/dbraw/zinc/19/47/95/991194795.db2.gz RWFVYGVZLLEMJL-AWEZNQCLSA-N -1 0 346.814 3.603 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)CCCCc1ccccc1 ZINC001598292872 991206713 /nfs/dbraw/zinc/20/67/13/991206713.db2.gz IWLUZUGULGDISG-UHFFFAOYSA-N -1 0 340.423 3.802 20 0 EHADRM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001590993952 991217027 /nfs/dbraw/zinc/21/70/27/991217027.db2.gz UZKRPOWALPNSSW-QWPQOLDESA-N -1 0 345.370 3.514 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@@H]1C1CCCC1 ZINC001598295470 991226179 /nfs/dbraw/zinc/22/61/79/991226179.db2.gz WRTWYJRERIABMX-MRXNPFEDSA-N -1 0 345.443 3.637 20 0 EHADRM CC(C)[C@H](NC(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccccn1 ZINC001591019284 991303949 /nfs/dbraw/zinc/30/39/49/991303949.db2.gz VGEJTACTRNFNKP-HNNXBMFYSA-N -1 0 332.787 3.560 20 0 EHADRM CN(C)c1ccc(Nc2cc(C(F)(F)F)c(C(=O)[O-])cn2)cc1F ZINC001598329648 991363534 /nfs/dbraw/zinc/36/35/34/991363534.db2.gz VMMRVTGXXBGALL-UHFFFAOYSA-N -1 0 343.280 3.747 20 0 EHADRM COc1ccccc1NC(=O)[C@H](C)Sc1ccc(C(=O)[O-])cc1 ZINC001599714647 991431662 /nfs/dbraw/zinc/43/16/62/991431662.db2.gz FECIDPWNFDEQBL-NSHDSACASA-N -1 0 331.393 3.513 20 0 EHADRM CC(C)[C@@H](OC(=O)c1ccc(C2SCCCS2)cc1)C(=O)[O-] ZINC001591046936 991437990 /nfs/dbraw/zinc/43/79/90/991437990.db2.gz HPGIAWRFEQNMAQ-CYBMUJFWSA-N -1 0 340.466 3.821 20 0 EHADRM CC(C)[C@@H](SCc1ccccc1)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001591051623 991451511 /nfs/dbraw/zinc/45/15/11/991451511.db2.gz FCJMDWRLYANMHY-VQIMIIECSA-N -1 0 349.496 3.658 20 0 EHADRM CC(C)[C@@H](SCC(=O)[O-])C(=O)Nc1cc(Cl)ccc1Cl ZINC001591051972 991455266 /nfs/dbraw/zinc/45/52/66/991455266.db2.gz KPOBTNKTJXOFCV-GFCCVEGCSA-N -1 0 336.240 3.774 20 0 EHADRM CC(C)[C@H](SCc1ccccc1C(=O)[O-])C(=O)NC1CCCC1 ZINC001591052109 991456576 /nfs/dbraw/zinc/45/65/76/991456576.db2.gz MFRPOGDNVDYPNU-INIZCTEOSA-N -1 0 335.469 3.701 20 0 EHADRM CC(C)[C@@H](c1ccccc1)N(C)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001591052123 991456602 /nfs/dbraw/zinc/45/66/02/991456602.db2.gz MILUVTAAIHFREY-INIZCTEOSA-N -1 0 327.384 3.641 20 0 EHADRM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001591057768 991470408 /nfs/dbraw/zinc/47/04/08/991470408.db2.gz JAMDFXTWYFEEJK-IFXJQAMLSA-N -1 0 330.428 3.606 20 0 EHADRM CC(C)[C@H]1CCC[C@@H](NC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C1 ZINC001591080967 991589032 /nfs/dbraw/zinc/58/90/32/991589032.db2.gz FXXMNJULXDDOIF-WDEREUQCSA-N -1 0 340.370 3.999 20 0 EHADRM CC(C)[C@@H]1CCC[C@](NC(=O)CCCC(=O)[O-])(C(F)(F)F)CC1 ZINC001591082491 991598478 /nfs/dbraw/zinc/59/84/78/991598478.db2.gz SKWQBSLBIUMZIR-IUODEOHRSA-N -1 0 337.382 3.895 20 0 EHADRM CC(C)[C@H]1CCC[C@H](NC(=O)NCCCCCCC(=O)[O-])CC1 ZINC001591082550 991599675 /nfs/dbraw/zinc/59/96/75/991599675.db2.gz VJOMJJULAUNCTB-HOTGVXAUSA-N -1 0 326.481 3.926 20 0 EHADRM COc1cncc(/C=C/CCNc2cccc([C@@H](C)C(=O)[O-])c2)c1 ZINC001599726748 991640194 /nfs/dbraw/zinc/64/01/94/991640194.db2.gz SRECUVYDURCNLQ-BOTMBNHJSA-N -1 0 326.396 3.794 20 0 EHADRM CC(C)[C@@H]1CCN(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)C1 ZINC001591092454 991642339 /nfs/dbraw/zinc/64/23/39/991642339.db2.gz KEGBGXDAEVVTEM-SECBINFHSA-N -1 0 328.771 3.687 20 0 EHADRM CC(C)[C@@H]1CN(c2cc(C(F)(F)F)c(C(=O)[O-])cn2)[C@H]1C(C)C ZINC001591096183 991686097 /nfs/dbraw/zinc/68/60/97/991686097.db2.gz BMCDIYGBFUAITE-FZMZJTMJSA-N -1 0 330.350 3.915 20 0 EHADRM CN(CC(=O)[O-])c1nc(C2CCCCC2)nc2sc3c(c21)CCC3 ZINC001598418037 991745029 /nfs/dbraw/zinc/74/50/29/991745029.db2.gz NDOOGTWSMNTQMO-UHFFFAOYSA-N -1 0 345.468 3.749 20 0 EHADRM CC(C)C[C@@H](C(=O)Nc1cccc(C(=O)[O-])c1N)c1ccccc1 ZINC001591119950 991789624 /nfs/dbraw/zinc/78/96/24/991789624.db2.gz JIKZNHQNATXKTF-OAHLLOKOSA-N -1 0 326.396 3.735 20 0 EHADRM Cc1cc(C)cc(-c2nnc(NC([O-])=NOC3CCCC3)s2)c1 ZINC000274938784 1015661015 /nfs/dbraw/zinc/66/10/15/1015661015.db2.gz DRGAQKYFPLEZDH-UHFFFAOYSA-N -1 0 332.429 3.818 20 0 EHADRM CC(C)CC(C)(C)CNC(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001591129868 991819340 /nfs/dbraw/zinc/81/93/40/991819340.db2.gz DJPGRJCAQJANOD-UHFFFAOYSA-N -1 0 330.428 3.597 20 0 EHADRM CC(C)C[C@@H](C)CC(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12 ZINC001591132725 991831673 /nfs/dbraw/zinc/83/16/73/991831673.db2.gz FDWJHZMYZOFVMR-CYBMUJFWSA-N -1 0 344.411 3.709 20 0 EHADRM CC(C)C[C@@H](C)OC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001591137449 991842248 /nfs/dbraw/zinc/84/22/48/991842248.db2.gz BCYFFWKMIOPYPR-NOZJJQNGSA-N -1 0 331.771 3.766 20 0 EHADRM CC(C)CC(CC(C)C)NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001591143925 991873878 /nfs/dbraw/zinc/87/38/78/991873878.db2.gz XCHYYDITPDTYSE-SFHVURJKSA-N -1 0 346.471 3.841 20 0 EHADRM CC(C)C[C@@H](CNC(=O)/C=C/c1ccccc1C(F)(F)F)C(=O)[O-] ZINC001591146667 991884052 /nfs/dbraw/zinc/88/40/52/991884052.db2.gz IYPMOSIRGKFOKN-GWJCSSMESA-N -1 0 343.345 3.582 20 0 EHADRM CC(C)CC[C@@H](NC(=O)NC[C@@H](CC(=O)[O-])C1CC1)C(C)(C)C ZINC001591221805 992089420 /nfs/dbraw/zinc/08/94/20/992089420.db2.gz PAKIKKXLDZQQJY-HUUCEWRRSA-N -1 0 326.481 3.637 20 0 EHADRM CC(C)CCCC(=O)N[C@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001591228154 992102796 /nfs/dbraw/zinc/10/27/96/992102796.db2.gz PXUGCCMSGHZTEA-SJLPKXTDSA-N -1 0 331.456 3.892 20 0 EHADRM CC(C)CCOC(=O)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001591252390 992152786 /nfs/dbraw/zinc/15/27/86/992152786.db2.gz YICUHMOPTGAHFB-GFCCVEGCSA-N -1 0 333.306 3.603 20 0 EHADRM CC(C)CN(C(=O)[C@H](C)c1ccc(Cl)s1)C(C)(C)C(=O)[O-] ZINC001591281363 992213875 /nfs/dbraw/zinc/21/38/75/992213875.db2.gz MGPUNKSMFRIOPJ-SNVBAGLBSA-N -1 0 331.865 3.853 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)[C@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC001591290710 992237771 /nfs/dbraw/zinc/23/77/71/992237771.db2.gz CPRKGFMZSXSWQM-JSGCOSHPSA-N -1 0 341.810 3.542 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1 ZINC001591294710 992246329 /nfs/dbraw/zinc/24/63/29/992246329.db2.gz ZWSDEESPFYXWRD-UHFFFAOYSA-N -1 0 334.803 3.518 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC001591298284 992249241 /nfs/dbraw/zinc/24/92/41/992249241.db2.gz ZETOASDBUFSBGZ-UHFFFAOYSA-N -1 0 337.725 3.542 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)[C@H](C)c1c(F)cccc1F ZINC001591309602 992267247 /nfs/dbraw/zinc/26/72/47/992267247.db2.gz DBCQAYHVDKZMOD-GFCCVEGCSA-N -1 0 341.398 3.664 20 0 EHADRM CN(CCOc1ccccc1C(C)(C)C)[C@H](C(=O)[O-])c1cccnc1 ZINC001598499610 992414994 /nfs/dbraw/zinc/41/49/94/992414994.db2.gz HWWPWUKPHUCYQI-SFHVURJKSA-N -1 0 342.439 3.516 20 0 EHADRM CN(CCc1cccs1)c1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001598501392 992439403 /nfs/dbraw/zinc/43/94/03/992439403.db2.gz NRZFHMUXBJOKSF-UHFFFAOYSA-N -1 0 330.331 3.539 20 0 EHADRM CC(C)COc1cccc(NC(=O)/C=C\c2cc(C(=O)[O-])co2)c1 ZINC001591402248 992482956 /nfs/dbraw/zinc/48/29/56/992482956.db2.gz WPTLVZDENINFQT-SREVYHEPSA-N -1 0 329.352 3.665 20 0 EHADRM CC(C)COc1ccccc1NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001591409688 992485187 /nfs/dbraw/zinc/48/51/87/992485187.db2.gz JUHYAFVDULYHJP-NTMALXAHSA-N -1 0 329.352 3.665 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1sccc1SC(F)F ZINC001591429191 992523087 /nfs/dbraw/zinc/52/30/87/992523087.db2.gz ZNIPHPIBORHCLQ-QMMMGPOBSA-N -1 0 337.413 3.634 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])[nH]1)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001598509291 992548036 /nfs/dbraw/zinc/54/80/36/992548036.db2.gz ONEMQYYKEHIZEJ-UHFFFAOYSA-N -1 0 345.399 3.696 20 0 EHADRM CC(C)Cc1ccc(CCCC(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C)cc1 ZINC001591483284 992600889 /nfs/dbraw/zinc/60/08/89/992600889.db2.gz FAILRENYHVDKDR-VQIMIIECSA-N -1 0 345.483 3.920 20 0 EHADRM CC(C)Cc1ccc([C@@H](NC(=O)NCCCC(=O)[O-])C(C)C)cc1 ZINC001591484200 992607900 /nfs/dbraw/zinc/60/79/00/992607900.db2.gz KJNCEEXMKZKAGV-SFHVURJKSA-N -1 0 334.460 3.746 20 0 EHADRM CC(C)Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])Cc2ccccc2)cc1 ZINC001591484915 992614256 /nfs/dbraw/zinc/61/42/56/992614256.db2.gz XIDMDRONWYPPAE-LJQANCHMSA-N -1 0 339.435 3.701 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)N2CCC[C@](C)(C(=O)[O-])C2)c1 ZINC001591489166 992618595 /nfs/dbraw/zinc/61/85/95/992618595.db2.gz NILYCCIORKKESV-YWZLYKJASA-N -1 0 331.456 3.702 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)N2CCCC[C@H]2CC(=O)[O-])c1 ZINC001591489334 992619698 /nfs/dbraw/zinc/61/96/98/992619698.db2.gz QGNKRQAWWPNVMM-YJBOKZPZSA-N -1 0 331.456 3.844 20 0 EHADRM CC(C)Cc1nnc(NCc2ccc(-c3ccccc3C(=O)[O-])o2)o1 ZINC001591498257 992638116 /nfs/dbraw/zinc/63/81/16/992638116.db2.gz ZTFOKEIUXGNASQ-UHFFFAOYSA-N -1 0 341.367 3.838 20 0 EHADRM CN(Cc1ccc(Cl)c(F)c1)Cc1cc(C(=O)[O-])ccc1F ZINC001598518163 992644771 /nfs/dbraw/zinc/64/47/71/992644771.db2.gz SBEGRIROTFKYQE-UHFFFAOYSA-N -1 0 325.742 3.948 20 0 EHADRM CN(Cc1ccc(C2(C(=O)[O-])CC2)cc1)Cc1c(F)cccc1F ZINC001598518394 992647574 /nfs/dbraw/zinc/64/75/74/992647574.db2.gz YUYGOMXJLCAADV-UHFFFAOYSA-N -1 0 331.362 3.713 20 0 EHADRM CN(Cc1ccc2cc[nH]c2c1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001598524874 992706528 /nfs/dbraw/zinc/70/65/28/992706528.db2.gz XSNBVYBXOGHEBT-UHFFFAOYSA-N -1 0 341.342 3.669 20 0 EHADRM CC(C)Cn1ncnc1CSCc1cccc(C(=O)[O-])c1Cl ZINC001591539077 992719105 /nfs/dbraw/zinc/71/91/05/992719105.db2.gz TYMSRKBZVLFMHT-UHFFFAOYSA-N -1 0 339.848 3.719 20 0 EHADRM CN(Cc1nc(C(=O)[O-])cs1)Cc1ccc(Cl)cc1Cl ZINC001598536850 992849933 /nfs/dbraw/zinc/84/99/33/992849933.db2.gz QEOWWLILGFVRFT-UHFFFAOYSA-N -1 0 331.224 3.780 20 0 EHADRM O=S(=O)(/C=C\c1ccc(F)cc1)Nc1ccccc1OC(F)F ZINC000255026880 1015788983 /nfs/dbraw/zinc/78/89/83/1015788983.db2.gz QZDVABNKSYHPRE-KTKRTIGZSA-N -1 0 343.326 3.840 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@](C)(C(=O)[O-])C1)c1cccc(C2CC2)c1 ZINC001593064342 993598549 /nfs/dbraw/zinc/59/85/49/993598549.db2.gz SNBBKRAYAFNMAE-YJYMSZOUSA-N -1 0 330.428 3.521 20 0 EHADRM C[C@@H](NC(=O)NCC1(CC(=O)[O-])CCCC1)[C@H]1CC2CCC1CC2 ZINC001593087857 993696443 /nfs/dbraw/zinc/69/64/43/993696443.db2.gz APGHNNGZWIOMPA-PRLABOORSA-N -1 0 336.476 3.536 20 0 EHADRM COc1ccc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)cc1SC ZINC001599593607 993720524 /nfs/dbraw/zinc/72/05/24/993720524.db2.gz GWQXLJZBTLZXMQ-UHFFFAOYSA-N -1 0 331.393 3.676 20 0 EHADRM COc1ccc(NC(=O)Nc2cc(C(=O)[O-])cs2)cc1SC ZINC001599594348 993729332 /nfs/dbraw/zinc/72/93/32/993729332.db2.gz OZQLEMQTGKSGSS-UHFFFAOYSA-N -1 0 338.410 3.821 20 0 EHADRM COc1ccc(NC(=O)c2ccc(C)c(C(=O)[O-])c2)cc1SC ZINC001599596396 993753300 /nfs/dbraw/zinc/75/33/00/993753300.db2.gz XEFZIVXTXZEKNS-UHFFFAOYSA-N -1 0 331.393 3.676 20 0 EHADRM COc1ccc(NCc2ccc(C(=O)[O-])[nH]2)cc1OC1CCCC1 ZINC001599597220 993763950 /nfs/dbraw/zinc/76/39/50/993763950.db2.gz LZWXKSLWLHXSHJ-UHFFFAOYSA-N -1 0 330.384 3.655 20 0 EHADRM COc1ccc(NCc2ccccc2OCC(=O)[O-])cc1OC(C)C ZINC001599597192 993764268 /nfs/dbraw/zinc/76/42/68/993764268.db2.gz LIKFXKKUWDZJIJ-UHFFFAOYSA-N -1 0 345.395 3.558 20 0 EHADRM C[C@H](NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1cc2ccccc2s1 ZINC001593108766 993766837 /nfs/dbraw/zinc/76/68/37/993766837.db2.gz NIQTVPQLKSDDJN-UHTWSYAYSA-N -1 0 332.425 3.515 20 0 EHADRM C[C@@H](NC(=O)Nc1cc(C(=O)[O-])cnc1Cl)[C@@H](C)c1ccccc1 ZINC001593109206 993771802 /nfs/dbraw/zinc/77/18/02/993771802.db2.gz KLYGMPAPWQRGFP-GHMZBOCLSA-N -1 0 347.802 3.747 20 0 EHADRM COc1ccc(OC(C)(C)C(=O)Nc2scc(C(=O)[O-])c2C)cc1 ZINC001599600568 993809839 /nfs/dbraw/zinc/80/98/39/993809839.db2.gz NWQKNSXHUJPESZ-UHFFFAOYSA-N -1 0 349.408 3.559 20 0 EHADRM COc1ccc(OC(=O)c2ccc(/C=C\C(=O)[O-])o2)c(C(C)(C)C)c1 ZINC001599601119 993816722 /nfs/dbraw/zinc/81/67/22/993816722.db2.gz XHXAWOQLKJWUGK-YFHOEESVSA-N -1 0 344.363 3.903 20 0 EHADRM COc1ccc(OC)c([C@H](C)NCc2cc(C(=O)[O-])ccc2Cl)c1 ZINC001599602162 993832110 /nfs/dbraw/zinc/83/21/10/993832110.db2.gz LITOLKPXAQNKBH-NSHDSACASA-N -1 0 349.814 3.906 20 0 EHADRM COc1ccc(OC[C@@H]2CCCC[C@@H]2C(=O)[O-])c(Br)c1 ZINC001599605277 993876082 /nfs/dbraw/zinc/87/60/82/993876082.db2.gz FWAWOGUVINCHHT-JQWIXIFHSA-N -1 0 343.217 3.728 20 0 EHADRM COc1ccc(OCc2cc(C)c(C(=O)[O-])o2)c(C(F)(F)F)c1 ZINC001599606931 993898952 /nfs/dbraw/zinc/89/89/52/993898952.db2.gz RKQWSBZDXQPTLZ-UHFFFAOYSA-N -1 0 330.258 3.893 20 0 EHADRM C[C@@H](NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(-c2ccc(F)cc2)cc1 ZINC001593139902 993917687 /nfs/dbraw/zinc/91/76/87/993917687.db2.gz CEEONELXHNWGEY-JLZZUVOBSA-N -1 0 341.382 3.781 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)N[C@@H](C)[C@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC001593142080 993935395 /nfs/dbraw/zinc/93/53/95/993935395.db2.gz QTFNUMQUVDMHEU-WNHJNPCNSA-N -1 0 345.483 3.897 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1c(F)cccc1Cl ZINC001593142676 993937987 /nfs/dbraw/zinc/93/79/87/993937987.db2.gz YLTFMHSAVOHUJJ-DCAQKATOSA-N -1 0 327.783 3.547 20 0 EHADRM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(F)cc2C(=O)[O-])cc1 ZINC001599618107 994045200 /nfs/dbraw/zinc/04/52/00/994045200.db2.gz AMXMJBUFSPJGTJ-JTQLQIEISA-N -1 0 349.383 3.652 20 0 EHADRM COc1ccc([C@H](C)NC(=O)Nc2ccc(CC(=O)[O-])cc2)cc1C ZINC001599621327 994087366 /nfs/dbraw/zinc/08/73/66/994087366.db2.gz QPLRIQQZRPAMEL-ZDUSSCGKSA-N -1 0 342.395 3.513 20 0 EHADRM COc1ccc2[nH]c(NC(=O)c3cc(C(=O)[O-])ccc3Cl)cc2c1 ZINC001599623921 994121952 /nfs/dbraw/zinc/12/19/52/994121952.db2.gz YREYXBLOJNVKFK-UHFFFAOYSA-N -1 0 344.754 3.780 20 0 EHADRM C[C@@H](NC(=S)Nc1ccc([C@@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC001593190963 994129764 /nfs/dbraw/zinc/12/97/64/994129764.db2.gz ZRFKNWRAQNLPOE-CHWSQXEVSA-N -1 0 328.437 3.922 20 0 EHADRM C[C@H](N[C@H](C(=O)[O-])c1ccccc1Cl)c1cc2cnccc2o1 ZINC001593195619 994149251 /nfs/dbraw/zinc/14/92/51/994149251.db2.gz RZFYZSAEDOLMSI-QFYYESIMSA-N -1 0 330.771 3.958 20 0 EHADRM C[C@@H](N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1)c1cscn1 ZINC001593197348 994162546 /nfs/dbraw/zinc/16/25/46/994162546.db2.gz ZVTBGAZTBLNXFT-PELKAZGASA-N -1 0 330.331 3.638 20 0 EHADRM COc1ccc2c(c1)N(Cc1cc(C(=O)[O-])ccc1Cl)CCC2 ZINC001599629502 994196389 /nfs/dbraw/zinc/19/63/89/994196389.db2.gz BFRSSHBESBUFLW-UHFFFAOYSA-N -1 0 331.799 4.000 20 0 EHADRM C[C@@H](N[C@H](CCc1ccccc1)C(F)F)c1cncc(C(=O)[O-])c1 ZINC001593207074 994212267 /nfs/dbraw/zinc/21/22/67/994212267.db2.gz AKHGBXBLUKNCKS-MLGOLLRUSA-N -1 0 334.366 3.697 20 0 EHADRM O=C([O-])CCN(C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000238046628 1015843126 /nfs/dbraw/zinc/84/31/26/1015843126.db2.gz IQHREUVIHRHSAE-RYUDHWBXSA-N -1 0 342.222 3.563 20 0 EHADRM COc1ccc2cc(NC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)ccc2c1 ZINC001599634340 994265236 /nfs/dbraw/zinc/26/52/36/994265236.db2.gz JTKODGILEWWAIK-MRXNPFEDSA-N -1 0 344.411 3.859 20 0 EHADRM COc1ccc2nc(C(=O)Nc3c(C)csc3C(=O)[O-])ccc2c1 ZINC001599634707 994269566 /nfs/dbraw/zinc/26/95/66/994269566.db2.gz ASDBMZKKQOVVAT-UHFFFAOYSA-N -1 0 342.376 3.564 20 0 EHADRM COc1ccc2cc(/C=C\C(=O)Nc3ccc(C(=O)[O-])nc3)ccc2c1 ZINC001599634983 994273585 /nfs/dbraw/zinc/27/35/85/994273585.db2.gz IPHGJGKNLVFSDF-OQFOIZHKSA-N -1 0 348.358 3.594 20 0 EHADRM COc1ccc2cc(C(=O)O[C@H](C(=O)[O-])c3ccsc3)ccc2c1 ZINC001599635485 994281511 /nfs/dbraw/zinc/28/15/11/994281511.db2.gz PTSUNBBXXOTZEP-INIZCTEOSA-N -1 0 342.372 3.893 20 0 EHADRM COc1ccc2cc(C(=O)Oc3cccc(CC(=O)[O-])c3)ccc2c1 ZINC001599635541 994281932 /nfs/dbraw/zinc/28/19/32/994281932.db2.gz RJLBOMIQVGIRNU-UHFFFAOYSA-N -1 0 336.343 3.695 20 0 EHADRM COc1cccc(C(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)c1C ZINC001599640907 994357489 /nfs/dbraw/zinc/35/74/89/994357489.db2.gz IMAQWSAUILOAEB-INIZCTEOSA-N -1 0 347.455 3.937 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1ccc(C(C)(C)C)cc1 ZINC001599643615 994392684 /nfs/dbraw/zinc/39/26/84/994392684.db2.gz LNZXEGBDPHZATQ-UHFFFAOYSA-N -1 0 328.364 3.910 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)C[C@@H]1C[C@H]1Cc1ccccc1 ZINC001599644368 994403877 /nfs/dbraw/zinc/40/38/77/994403877.db2.gz OTCJHGCRDDVZJR-CABCVRRESA-N -1 0 340.375 3.568 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)[C@@H]1CCc2c1cccc2Cl ZINC001599644643 994408184 /nfs/dbraw/zinc/40/81/84/994408184.db2.gz REAMZZXHHFZIQA-GFCCVEGCSA-N -1 0 346.766 3.682 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)[C@H](C)Cc1ccc(C)cc1 ZINC001599645206 994415808 /nfs/dbraw/zinc/41/58/08/994415808.db2.gz QKQXGOXEZQWIPV-CQSZACIVSA-N -1 0 341.407 3.543 20 0 EHADRM CNC(=O)Nc1cc(N[C@H](C)c2ccc(C(=O)[O-])cc2C)ccc1F ZINC001598650557 994435898 /nfs/dbraw/zinc/43/58/98/994435898.db2.gz KAGSCUICGDWJPV-LLVKDONJSA-N -1 0 345.374 3.757 20 0 EHADRM COc1cccc(C2(C(=O)Nc3ccc(Cl)c(C(=O)[O-])c3)CC2)c1 ZINC001599661818 994666988 /nfs/dbraw/zinc/66/69/88/994666988.db2.gz UDSZCIIWWLXKTO-UHFFFAOYSA-N -1 0 345.782 3.717 20 0 EHADRM COc1cccc(C[C@@H](C)CC(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC001599664131 994702629 /nfs/dbraw/zinc/70/26/29/994702629.db2.gz APTRUGXAAILHBB-LLVKDONJSA-N -1 0 333.409 3.662 20 0 EHADRM COc1cccc(C2(NC(=O)Nc3cccc(C(=O)[O-])c3)CCC2)c1 ZINC001599665610 994725179 /nfs/dbraw/zinc/72/51/79/994725179.db2.gz NDTSGPBEMMOXED-UHFFFAOYSA-N -1 0 340.379 3.594 20 0 EHADRM COc1cccc(CC(=O)[O-])c1OCc1cc(-c2cccs2)on1 ZINC001599666469 994738304 /nfs/dbraw/zinc/73/83/04/994738304.db2.gz WXIJAEGQKUATKN-UHFFFAOYSA-N -1 0 345.376 3.618 20 0 EHADRM C[C@H](NCc1ccoc1C(=O)[O-])c1nc(-c2ccccc2)cs1 ZINC001593310030 994771138 /nfs/dbraw/zinc/77/11/38/994771138.db2.gz FKZFBVYASSXEIB-NSHDSACASA-N -1 0 328.393 3.952 20 0 EHADRM COc1cccc(CCC(=O)Nc2ccc(C)c(C)c2C(=O)[O-])c1 ZINC001599670528 994803275 /nfs/dbraw/zinc/80/32/75/994803275.db2.gz BPHSNRIRXIVIMV-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM CNc1ccc(Cl)c(C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001598679399 994902304 /nfs/dbraw/zinc/90/23/04/994902304.db2.gz GJJITQGCICKIJY-CQSZACIVSA-N -1 0 337.734 3.504 20 0 EHADRM CNc1ccc(Cl)c(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC001598679673 994906344 /nfs/dbraw/zinc/90/63/44/994906344.db2.gz KORYEKVEPMWLKH-UHFFFAOYSA-N -1 0 339.178 3.986 20 0 EHADRM COC(=O)[C@H](C)c1cccc(NCc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001598693886 995106284 /nfs/dbraw/zinc/10/62/84/995106284.db2.gz WBQWNEWHXKQONN-CYBMUJFWSA-N -1 0 327.380 3.582 20 0 EHADRM COC(=O)[C@@H](N[C@@H](c1ccccc1)C(C)C)c1cccc(C(=O)[O-])c1 ZINC001598708592 995319912 /nfs/dbraw/zinc/31/99/12/995319912.db2.gz NVBKIKUZCSMCTO-MSOLQXFVSA-N -1 0 341.407 3.586 20 0 EHADRM COC(=O)[C@@H](SCc1ccccc1C)c1cccc(C(=O)[O-])c1 ZINC001598711660 995356268 /nfs/dbraw/zinc/35/62/68/995356268.db2.gz KWYCPCGGRVDEHP-INIZCTEOSA-N -1 0 330.405 3.841 20 0 EHADRM COC(=O)[C@H](S[C@@H](C)CC(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001598711734 995357278 /nfs/dbraw/zinc/35/72/78/995357278.db2.gz LGLJKFMDDWPULK-JVXZTZIISA-N -1 0 337.224 3.804 20 0 EHADRM COC(=O)[C@@H](N[C@H](C)C1CCCCCC1)c1cccc(C(=O)[O-])c1 ZINC001598712859 995369022 /nfs/dbraw/zinc/36/90/22/995369022.db2.gz KERYGXVBWAQURV-DYVFJYSZSA-N -1 0 333.428 3.547 20 0 EHADRM O=C([O-])c1cccc(C(=O)NCCc2c(Cl)cccc2Cl)c1 ZINC000238128671 1015941535 /nfs/dbraw/zinc/94/15/35/1015941535.db2.gz DXDZMNPHZNIHTA-UHFFFAOYSA-N -1 0 338.190 3.664 20 0 EHADRM C[C@H](OC(=O)C12CCC(C(=O)[O-])(CC1)C2)c1csc(C2CC2)n1 ZINC001593503019 995512150 /nfs/dbraw/zinc/51/21/50/995512150.db2.gz YWUXRQSXJYNHPW-DTUOUAAVSA-N -1 0 335.425 3.660 20 0 EHADRM C[C@@H](OC(=O)C1CCc2ccccc2CC1)c1cc(C(=O)[O-])co1 ZINC001593514368 995531488 /nfs/dbraw/zinc/53/14/88/995531488.db2.gz KCDKUSRNFSACIO-GFCCVEGCSA-N -1 0 328.364 3.777 20 0 EHADRM C[C@@H](OC(=O)CCc1ccccc1C(=O)[O-])c1cc(F)cc(F)c1 ZINC001593528037 995574598 /nfs/dbraw/zinc/57/45/98/995574598.db2.gz PXBAKOIWXWBIHL-LLVKDONJSA-N -1 0 334.318 3.900 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)c1F ZINC000180479594 1015958037 /nfs/dbraw/zinc/95/80/37/1015958037.db2.gz UOTPOZQDAVRBSD-UHFFFAOYSA-N -1 0 346.383 3.954 20 0 EHADRM C[C@H](OC(=O)c1cccc(C(=O)[O-])c1)c1ccc(C(F)(F)F)cn1 ZINC001593586539 995711349 /nfs/dbraw/zinc/71/13/49/995711349.db2.gz YUXIGHRGHHPJOW-VIFPVBQESA-N -1 0 339.269 3.717 20 0 EHADRM C[C@@H](OC(=O)c1occc1C(=O)[O-])C(=O)c1ccc(C(C)(C)C)cc1 ZINC001593600947 995753648 /nfs/dbraw/zinc/75/36/48/995753648.db2.gz BJOSABHBWMESEO-LLVKDONJSA-N -1 0 344.363 3.704 20 0 EHADRM C[C@@H](OC1CCCCC1)C(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC001593603050 995766844 /nfs/dbraw/zinc/76/68/44/995766844.db2.gz OSEODAURDGHNIZ-SNVBAGLBSA-N -1 0 326.776 3.681 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)CCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000037448197 1015986912 /nfs/dbraw/zinc/98/69/12/1015986912.db2.gz IKGNUHMSIBTMEG-OTYXRUKQSA-N -1 0 332.227 3.542 20 0 EHADRM C[C@@H](Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1)c1nc2ccccc2o1 ZINC001593633549 995923843 /nfs/dbraw/zinc/92/38/43/995923843.db2.gz ICBSRYKWJCFARO-GHMZBOCLSA-N -1 0 344.342 3.992 20 0 EHADRM C[C@H](SCc1cccc(C(=O)[O-])c1)C(=O)N[C@H]1CCCC[C@H]1C ZINC001593661609 996038980 /nfs/dbraw/zinc/03/89/80/996038980.db2.gz IZVFVYKNYVAEBL-WWGRRREGSA-N -1 0 335.469 3.701 20 0 EHADRM COC(=O)[C@H]1CCCC[C@@H]1CSc1nc2ccc(C(=O)[O-])cc2o1 ZINC001598788221 996048345 /nfs/dbraw/zinc/04/83/45/996048345.db2.gz ODXDPONFFGDWNK-NEPJUHHUSA-N -1 0 349.408 3.598 20 0 EHADRM C[C@H](SCc1ncccc1Br)c1nc(C(=O)[O-])co1 ZINC001593664085 996049160 /nfs/dbraw/zinc/04/91/60/996049160.db2.gz GAUDOUZTAWYICK-ZETCQYMHSA-N -1 0 343.202 3.525 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001593674191 996088316 /nfs/dbraw/zinc/08/83/16/996088316.db2.gz WYBJENVBYLIGCT-GMXVVIOVSA-N -1 0 341.860 3.580 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001593674193 996088497 /nfs/dbraw/zinc/08/84/97/996088497.db2.gz WYBJENVBYLIGCT-NTZNESFSSA-N -1 0 341.860 3.580 20 0 EHADRM C[C@H](Sc1nnc(-c2ccccc2)s1)c1nc(C(=O)[O-])co1 ZINC001593678036 996089339 /nfs/dbraw/zinc/08/93/39/996089339.db2.gz BXALIRHMPIQJDZ-QMMMGPOBSA-N -1 0 333.394 3.745 20 0 EHADRM C[C@H](Sc1nc2cc(Cl)ccc2n1C)c1nc(C(=O)[O-])co1 ZINC001593679164 996097920 /nfs/dbraw/zinc/09/79/20/996097920.db2.gz GBCZBRCSUKKDFZ-ZETCQYMHSA-N -1 0 337.788 3.766 20 0 EHADRM C[C@@H](c1ccc(C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)cc1)C(F)(F)F ZINC001593687169 996125971 /nfs/dbraw/zinc/12/59/71/996125971.db2.gz VRHRUKBBCYLSPM-MMPTUQATSA-N -1 0 343.345 3.535 20 0 EHADRM C[C@H](c1c(F)cccc1F)N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001593687320 996127383 /nfs/dbraw/zinc/12/73/83/996127383.db2.gz RFKZEUHYWUHGAQ-KXUCPTDWSA-N -1 0 337.288 3.611 20 0 EHADRM C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001593704602 996183606 /nfs/dbraw/zinc/18/36/06/996183606.db2.gz BRSMBXHDULJIPI-YTOTVDJJSA-N -1 0 339.391 3.786 20 0 EHADRM C[C@H](c1nc2ccccc2s1)N(C)Cc1cccc(C(=O)[O-])n1 ZINC001593733511 996317854 /nfs/dbraw/zinc/31/78/54/996317854.db2.gz GXJIJUOXROUXHN-LLVKDONJSA-N -1 0 327.409 3.583 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C2(Cc3cccs3)CCCCC2)C1 ZINC001593765883 996443761 /nfs/dbraw/zinc/44/37/61/996443761.db2.gz ZYGHVOAUKAKJAF-GOSISDBHSA-N -1 0 349.496 3.954 20 0 EHADRM CCc1cc([N-]S(=O)(=O)c2ccccc2OC)c2ccccc2n1 ZINC000180765600 1016038992 /nfs/dbraw/zinc/03/89/92/1016038992.db2.gz NNIPVXRDWKKNFT-UHFFFAOYSA-N -1 0 342.420 3.607 20 0 EHADRM Cc1ccc2nc(C3CC3)cc(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c2c1 ZINC000683306580 1016039179 /nfs/dbraw/zinc/03/91/79/1016039179.db2.gz DHOOQQKMYKMFAR-KRWDZBQOSA-N -1 0 340.423 3.650 20 0 EHADRM COC(=O)C[C@@H](C)S[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001598840997 996525245 /nfs/dbraw/zinc/52/52/45/996525245.db2.gz VOTLPRDKRNAVFH-KRTXAFLBSA-N -1 0 337.224 3.804 20 0 EHADRM CC1(C)C(c2cc(NC(=O)c3ccc(C=CC(=O)[O-])o3)n[nH]2)C1(C)C ZINC001593837012 996593990 /nfs/dbraw/zinc/59/39/90/996593990.db2.gz CUQSFPJTPRREKL-VURMDHGXSA-N -1 0 343.383 3.502 20 0 EHADRM CC1(C)CC(C(=O)O[C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)C1 ZINC001593848631 996620899 /nfs/dbraw/zinc/62/08/99/996620899.db2.gz VYVYWOLXWDBNKD-GFCCVEGCSA-N -1 0 330.302 3.968 20 0 EHADRM CC1(C)CC(NC(=O)Nc2cccc(CSCCC(=O)[O-])c2)C1 ZINC001593858290 996646709 /nfs/dbraw/zinc/64/67/09/996646709.db2.gz AHRIBVBQSSSZIP-UHFFFAOYSA-N -1 0 336.457 3.705 20 0 EHADRM CC1(C)CC(Nc2cc(I)cc(C(=O)[O-])c2)C1 ZINC001593860078 996653854 /nfs/dbraw/zinc/65/38/54/996653854.db2.gz XDHASLIWCHROCQ-UHFFFAOYSA-N -1 0 345.180 3.590 20 0 EHADRM CC1(C)CC[C@@H](C(=O)NCCc2cc3ccc(C(=O)[O-])cc3o2)C1 ZINC001593874941 996692997 /nfs/dbraw/zinc/69/29/97/996692997.db2.gz ULFFKZMVAHOLPY-CQSZACIVSA-N -1 0 329.396 3.616 20 0 EHADRM CC1(C)CC[C@H](C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)[C@@H](c2ccccc2)C1 ZINC001593874893 996693078 /nfs/dbraw/zinc/69/30/78/996693078.db2.gz RNRPJAZOAFSYRU-FGTMMUONSA-N -1 0 341.451 3.886 20 0 EHADRM CC1(C)CC[C@H](CC(=O)Nc2cc(C(=O)[O-])ccc2Cl)OC1 ZINC001593875908 996696110 /nfs/dbraw/zinc/69/61/10/996696110.db2.gz HKWZDMTZFSIJNW-LLVKDONJSA-N -1 0 325.792 3.572 20 0 EHADRM CC1(C)CC[C@H](NC(=O)Nc2cccc(C(=O)[O-])n2)c2ccccc21 ZINC001593882486 996713945 /nfs/dbraw/zinc/71/39/45/996713945.db2.gz UPBZPPCHGCOWJK-AWEZNQCLSA-N -1 0 339.395 3.714 20 0 EHADRM CC1(C)CC[C@H]1C(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001593883516 996716606 /nfs/dbraw/zinc/71/66/06/996716606.db2.gz JKJOHKOHIWQKGN-VIFPVBQESA-N -1 0 344.180 3.661 20 0 EHADRM CC1(C)CC[C@H]1C(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001593883767 996718544 /nfs/dbraw/zinc/71/85/44/996718544.db2.gz SLUGZZVXBHJJPD-QWHCGFSZSA-N -1 0 343.345 3.774 20 0 EHADRM COC(=O)Cc1cccc(N[C@H]2CCC[C@H](CCCC(=O)[O-])C2)c1 ZINC001598873744 996750776 /nfs/dbraw/zinc/75/07/76/996750776.db2.gz WQXJEDFFEPPMQW-ZBFHGGJFSA-N -1 0 333.428 3.628 20 0 EHADRM CC1(C)CCCC[C@H]1CC(=O)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001593905388 996786362 /nfs/dbraw/zinc/78/63/62/996786362.db2.gz TYWSDWXWXRYYPD-HNNXBMFYSA-N -1 0 345.439 3.712 20 0 EHADRM CC1(C)CCN(C(=O)c2cc(C(=O)[O-])co2)C[C@H]1c1ccccc1 ZINC001593911874 996807716 /nfs/dbraw/zinc/80/77/16/996807716.db2.gz QVSXLWYFBIZRHN-HNNXBMFYSA-N -1 0 327.380 3.634 20 0 EHADRM CC1(C)CCc2cccc(NCc3ccccc3OCC(=O)[O-])c2O1 ZINC001593916700 996821332 /nfs/dbraw/zinc/82/13/32/996821332.db2.gz XHOLXKZENSYUEP-UHFFFAOYSA-N -1 0 341.407 3.866 20 0 EHADRM COc1ccc(C(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])cc1OC ZINC001599485925 996848948 /nfs/dbraw/zinc/84/89/48/996848948.db2.gz OOOVKZSSWVGJNL-UHFFFAOYSA-N -1 0 349.770 3.616 20 0 EHADRM CC1(C)CN(C(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)Cc2ccccc21 ZINC001593926369 996856552 /nfs/dbraw/zinc/85/65/52/996856552.db2.gz CMIRMVYNYCPKQL-XMSQKQJNSA-N -1 0 349.430 3.565 20 0 EHADRM CC1(C)CN(C(=O)CCc2ccccc2C(=O)[O-])[C@@H]1c1cccs1 ZINC001593928470 996872060 /nfs/dbraw/zinc/87/20/60/996872060.db2.gz BYUVXYLYXJRJSD-QGZVFWFLSA-N -1 0 343.448 3.989 20 0 EHADRM COC[C@H](NCc1ccc(C(=O)[O-])cc1F)c1ccc(Cl)cc1 ZINC001599177903 996886101 /nfs/dbraw/zinc/88/61/01/996886101.db2.gz UUSMQVXKUNFQSV-INIZCTEOSA-N -1 0 337.778 3.655 20 0 EHADRM CC1(C)CN(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])c2ccccc21 ZINC001593936702 996920501 /nfs/dbraw/zinc/92/05/01/996920501.db2.gz UBCSOKVRSHKFLN-UHFFFAOYSA-N -1 0 348.402 3.733 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)c1F ZINC001599490109 996922851 /nfs/dbraw/zinc/92/28/51/996922851.db2.gz SDVLJPNOWYUCNZ-DGCLKSJQSA-N -1 0 335.375 3.709 20 0 EHADRM CC1(C)CN(C(=O)c2ccc(/C=C\C(=O)[O-])o2)c2ccc(Cl)cc21 ZINC001593936870 996922907 /nfs/dbraw/zinc/92/29/07/996922907.db2.gz ZMPNVZPGAMXMHL-YVMONPNESA-N -1 0 345.782 3.969 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@H]2[C@H](c3ccccc3)[C@@H]2C)c1F ZINC001599490172 996924150 /nfs/dbraw/zinc/92/41/50/996924150.db2.gz SZEXMFHVXZWCDK-NZVBXONLSA-N -1 0 343.354 3.521 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)CC[C@@H](C)c2ccccc2)c1 ZINC001599491347 996944318 /nfs/dbraw/zinc/94/43/18/996944318.db2.gz QRAVLGWNCVMGBL-CYBMUJFWSA-N -1 0 328.364 3.883 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)c2cc3sccc3s2)c1 ZINC001599491749 996952272 /nfs/dbraw/zinc/95/22/72/996952272.db2.gz BBEGKQZXVTXRPJ-UHFFFAOYSA-N -1 0 334.374 3.889 20 0 EHADRM COC1(C(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)CCC(F)(F)CC1 ZINC001599080646 996989668 /nfs/dbraw/zinc/98/96/68/996989668.db2.gz DLAJOOKRCXSMNO-UHFFFAOYSA-N -1 0 348.729 3.538 20 0 EHADRM COc1cc(C)c(C(=O)Nc2c(C)sc(C)c2C(=O)[O-])cc1OC ZINC001599389694 997010511 /nfs/dbraw/zinc/01/05/11/997010511.db2.gz ILPDJTJEPKCGNQ-UHFFFAOYSA-N -1 0 349.408 3.641 20 0 EHADRM COCc1cc(N[C@H](C(=O)[O-])c2ccccc2Cl)ccc1OC ZINC001599287833 997010979 /nfs/dbraw/zinc/01/09/79/997010979.db2.gz ITUPKVYNGJTXJE-INIZCTEOSA-N -1 0 335.787 3.733 20 0 EHADRM CC1(C)CN(c2ncc(C(=O)[O-])cc2Cl)Cc2ccccc2O1 ZINC001593948603 997012838 /nfs/dbraw/zinc/01/28/38/997012838.db2.gz HGCPYPLZUGOFIE-UHFFFAOYSA-N -1 0 332.787 3.611 20 0 EHADRM COCc1cc(NC(=O)c2c(F)cccc2Cl)cc(C(=O)[O-])c1 ZINC001599288213 997017275 /nfs/dbraw/zinc/01/72/75/997017275.db2.gz AEKMFFDGNQLVNT-UHFFFAOYSA-N -1 0 337.734 3.576 20 0 EHADRM COCc1cc(N[C@@H]2CCc3ccc(OC)cc3C2)cc(C(=O)[O-])c1 ZINC001599288282 997018783 /nfs/dbraw/zinc/01/87/83/997018783.db2.gz TYYODOWNLVNKLX-QGZVFWFLSA-N -1 0 341.407 3.509 20 0 EHADRM COCc1cc(N[C@H]2C[C@H](OC(C)(C)C)C2(C)C)cc(C(=O)[O-])c1 ZINC001599288242 997019196 /nfs/dbraw/zinc/01/91/96/997019196.db2.gz RZRPHUSQRQHHRR-HOTGVXAUSA-N -1 0 335.444 3.925 20 0 EHADRM COc1cc(C)c(C)cc1NCc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC001599390592 997027915 /nfs/dbraw/zinc/02/79/15/997027915.db2.gz FZCNJAIQBVAUKK-AWEZNQCLSA-N -1 0 329.396 3.776 20 0 EHADRM COc1ccc(C(=O)[O-])cc1CSc1nc2cc(Cl)cnc2[nH]1 ZINC001599499526 997089050 /nfs/dbraw/zinc/08/90/50/997089050.db2.gz IBSSBTPYJGTMCO-UHFFFAOYSA-N -1 0 349.799 3.610 20 0 EHADRM CC1(C)Cc2ccc(-c3nc(-c4ccc(C(=O)[O-])cc4)no3)cc2O1 ZINC001593964385 997095640 /nfs/dbraw/zinc/09/56/40/997095640.db2.gz AVLPZPZKNXXQJJ-UHFFFAOYSA-N -1 0 336.347 3.815 20 0 EHADRM COc1cc(C)c(NC(=O)NCCCCCCC(=O)[O-])c(C)c1C ZINC001599394391 997097742 /nfs/dbraw/zinc/09/77/42/997097742.db2.gz ZYCWKHLOWHMHPB-UHFFFAOYSA-N -1 0 336.432 3.777 20 0 EHADRM COc1cc(C)ccc1C(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-] ZINC001599394673 997103158 /nfs/dbraw/zinc/10/31/58/997103158.db2.gz VNTRULXFQCYIPX-UHFFFAOYSA-N -1 0 337.734 3.747 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)Cc1sc(C)cc1C ZINC001599395847 997124214 /nfs/dbraw/zinc/12/42/14/997124214.db2.gz BIPGMFPLSKCEJF-FNORWQNLSA-N -1 0 346.404 3.619 20 0 EHADRM COc1ccc(C(=O)Oc2cc3ccccc3cc2C(=O)[O-])c(F)c1 ZINC001599505775 997209469 /nfs/dbraw/zinc/20/94/69/997209469.db2.gz VMINGWVOGBXERG-UHFFFAOYSA-N -1 0 340.306 3.905 20 0 EHADRM COCc1csc(C(=O)Nc2c(C(=O)[O-])ccc3ccccc32)c1 ZINC001599300030 997214569 /nfs/dbraw/zinc/21/45/69/997214569.db2.gz NZEYCNSIJJQYNC-UHFFFAOYSA-N -1 0 341.388 3.998 20 0 EHADRM COc1ccc(/C(C)=C/C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])cc1 ZINC001599506517 997219566 /nfs/dbraw/zinc/21/95/66/997219566.db2.gz RZMLJSUBQNIWIY-QIXNEVBVSA-N -1 0 345.439 3.638 20 0 EHADRM COc1ccc([C@H](C)SCC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001599508073 997246924 /nfs/dbraw/zinc/24/69/24/997246924.db2.gz KIZLCAITCNWXBO-LBPRGKRZSA-N -1 0 345.420 3.826 20 0 EHADRM COCC1(NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CCCCC1 ZINC001599200279 997292671 /nfs/dbraw/zinc/29/26/71/997292671.db2.gz HJQPYJUSJPMIDI-UHFFFAOYSA-N -1 0 340.807 3.509 20 0 EHADRM COC1CCC(CC(=O)Nc2c(Cl)ccc(F)c2C(=O)[O-])CC1 ZINC001599099688 997358591 /nfs/dbraw/zinc/35/85/91/997358591.db2.gz HRTFYKMTXUYYNM-UHFFFAOYSA-N -1 0 343.782 3.711 20 0 EHADRM CON(C(=O)c1ccc(C(=O)[O-])cc1F)[C@H](C)c1ccccc1C ZINC001599310646 997409919 /nfs/dbraw/zinc/40/99/19/997409919.db2.gz FFCVJLGFKYLDQY-GFCCVEGCSA-N -1 0 331.343 3.597 20 0 EHADRM COc1cc(CNC(=O)N2CCCCC[C@@H]2C(C)C)ccc1C(=O)[O-] ZINC001599411427 997427934 /nfs/dbraw/zinc/42/79/34/997427934.db2.gz NKAJFRKVBJJFPA-MRXNPFEDSA-N -1 0 348.443 3.504 20 0 EHADRM CON(C(=O)c1cc(C)c(-c2ccccc2)s1)[C@H](C)CC(=O)[O-] ZINC001599312073 997432977 /nfs/dbraw/zinc/43/29/77/997432977.db2.gz GBEJPYUSKLPNJN-GFCCVEGCSA-N -1 0 333.409 3.590 20 0 EHADRM CON(Cc1ccccc1Cl)C(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001599318588 997541541 /nfs/dbraw/zinc/54/15/41/997541541.db2.gz NDCASJPTYPHHGA-UHFFFAOYSA-N -1 0 348.786 3.942 20 0 EHADRM COc1cc(Cl)ccc1-c1nnc(Cc2cccc(C(=O)[O-])c2)o1 ZINC001599420415 997584062 /nfs/dbraw/zinc/58/40/62/997584062.db2.gz GYZYWKYSWDSBCI-UHFFFAOYSA-N -1 0 344.754 3.688 20 0 EHADRM CO[C@@H]1CCC[C@H](CC(=O)Nc2cc(C(=O)[O-])ccc2Cl)C1 ZINC001599113160 997605492 /nfs/dbraw/zinc/60/54/92/997605492.db2.gz ROPFLXDKAKSCEO-CMPLNLGQSA-N -1 0 325.792 3.572 20 0 EHADRM COc1ccc([C@@H](NCc2ccsc2C(=O)[O-])C(F)(F)F)cc1 ZINC001599530535 997642662 /nfs/dbraw/zinc/64/26/62/997642662.db2.gz DPSYDTILEYQZGC-CYBMUJFWSA-N -1 0 345.342 3.848 20 0 EHADRM CO[C@H]1CCN(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)[C@H](C)C1 ZINC001599118410 997695535 /nfs/dbraw/zinc/69/55/35/997695535.db2.gz ZFGFDSCWXTZSSL-DOMZBBRYSA-N -1 0 342.395 3.569 20 0 EHADRM COCCCC[C@@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])c1ccccc1 ZINC001599224787 997738118 /nfs/dbraw/zinc/73/81/18/997738118.db2.gz VLYKNSYSOQLCTJ-RCCFBDPRSA-N -1 0 347.455 3.552 20 0 EHADRM COCCC[C@H](C)C(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1 ZINC001599226000 997761334 /nfs/dbraw/zinc/76/13/34/997761334.db2.gz WCLACDHPXBVQBY-JTQLQIEISA-N -1 0 340.445 3.500 20 0 EHADRM COc1cc(NC(=O)/C=C(/C)c2cccc(F)c2)ccc1C(=O)[O-] ZINC001599431789 997771967 /nfs/dbraw/zinc/77/19/67/997771967.db2.gz NIZJBVIKTCKQAM-FLIBITNWSA-N -1 0 329.327 3.575 20 0 EHADRM C[C@]1(NC(=O)c2nc(-c3ccccc3)cs2)CCCC[C@@H]1C(=O)[O-] ZINC001594056023 997793441 /nfs/dbraw/zinc/79/34/41/997793441.db2.gz MIROTRSLYWKCQH-ACJLOTCBSA-N -1 0 344.436 3.573 20 0 EHADRM C[C@]1(NC(=O)c2ccc(C(F)F)c(F)c2)CCCC[C@@H]1C(=O)[O-] ZINC001594056712 997802636 /nfs/dbraw/zinc/80/26/36/997802636.db2.gz SFVRUTJZVBTYRA-BZNIZROVSA-N -1 0 329.318 3.527 20 0 EHADRM COc1cc(NC(=O)N(C)[C@H](C)Cc2ccsc2)ccc1C(=O)[O-] ZINC001599433553 997802910 /nfs/dbraw/zinc/80/29/10/997802910.db2.gz CJETWDZSLUFEIK-LLVKDONJSA-N -1 0 348.424 3.550 20 0 EHADRM COc1c(NC(=O)C/C=C/Cc2ccccc2)cccc1C(=O)[O-] ZINC001599337555 997864209 /nfs/dbraw/zinc/86/42/09/997864209.db2.gz PWLSEPWTSSDPPM-AATRIKPKSA-N -1 0 325.364 3.521 20 0 EHADRM O=S(=O)([N-][C@H]1CCCc2occc21)c1c(Cl)ccc(F)c1F ZINC000340042131 1016161872 /nfs/dbraw/zinc/16/18/72/1016161872.db2.gz PTLOPSYKTXBISD-NSHDSACASA-N -1 0 347.770 3.567 20 0 EHADRM COc1c(NC(=O)N(C)[C@@H](C)c2ccccc2C)cccc1C(=O)[O-] ZINC001599338506 997880289 /nfs/dbraw/zinc/88/02/89/997880289.db2.gz OBJPIBMMAQRQAP-ZDUSSCGKSA-N -1 0 342.395 3.927 20 0 EHADRM COc1cc(NC(=O)NC(C)(C)c2ccc(F)cc2)ccc1C(=O)[O-] ZINC001599438494 997892092 /nfs/dbraw/zinc/89/20/92/997892092.db2.gz YCOLGKVVMFUQLE-UHFFFAOYSA-N -1 0 346.358 3.589 20 0 EHADRM COc1cc(NCc2ccc3ncccc3c2)c(C(=O)[O-])cc1OC ZINC001599444161 997979209 /nfs/dbraw/zinc/97/92/09/997979209.db2.gz YSSFIVLBLIJMQM-UHFFFAOYSA-N -1 0 338.363 3.562 20 0 EHADRM COc1c(OC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)ccc2ccccc21 ZINC001599344847 997984922 /nfs/dbraw/zinc/98/49/22/997984922.db2.gz PJDPEIAOWDPIFC-KGLIPLIRSA-N -1 0 328.364 3.645 20 0 EHADRM COc1cc(OC(=O)C/C=C\c2cccc(F)c2)ccc1C(=O)[O-] ZINC001599445826 998007372 /nfs/dbraw/zinc/00/73/72/998007372.db2.gz NKCXRHKOCQBCLH-HYXAFXHYSA-N -1 0 330.311 3.541 20 0 EHADRM COc1cc(OC(=O)c2coc(C3CCCCC3)n2)ccc1C(=O)[O-] ZINC001599446707 998021948 /nfs/dbraw/zinc/02/19/48/998021948.db2.gz FVWGPPAYMJPCSG-UHFFFAOYSA-N -1 0 345.351 3.648 20 0 EHADRM COc1cc(OC(=O)c2ccc3nc(C)sc3c2)ccc1C(=O)[O-] ZINC001599447340 998030174 /nfs/dbraw/zinc/03/01/74/998030174.db2.gz IRDUTKHUHMGJLG-UHFFFAOYSA-N -1 0 343.360 3.531 20 0 EHADRM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1cccc(Br)c1[O-] ZINC000536692398 1032142019 /nfs/dbraw/zinc/14/20/19/1032142019.db2.gz FGSLBKUTCXHLHQ-ZWNOBZJWSA-N -1 0 326.234 3.805 20 0 EHADRM COc1ccc(CCCC(=O)Nc2cc(F)cc(C(=O)[O-])c2F)cc1 ZINC001599554164 998061382 /nfs/dbraw/zinc/06/13/82/998061382.db2.gz ZDIQAYGRSDNEIO-UHFFFAOYSA-N -1 0 349.333 3.633 20 0 EHADRM COc1ccc(CN(C(=O)c2cc(C(=O)[O-])oc2C)C(C)(C)C)cc1 ZINC001599557327 998116827 /nfs/dbraw/zinc/11/68/27/998116827.db2.gz UJZMQVSARLTVRU-UHFFFAOYSA-N -1 0 345.395 3.736 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000655552662 1016188533 /nfs/dbraw/zinc/18/85/33/1016188533.db2.gz SBVSOVDWBXCUCM-UHFFFAOYSA-N -1 0 328.368 3.803 20 0 EHADRM COc1ccc(CN(C)[C@H](C(=O)[O-])c2ccccc2Cl)c(OC)c1 ZINC001599559262 998158343 /nfs/dbraw/zinc/15/83/43/998158343.db2.gz UOBFJMMMXVPAPM-KRWDZBQOSA-N -1 0 349.814 3.615 20 0 EHADRM CC1=C(C(=O)[O-])C[C@H](CSc2nc3cc(F)ccc3s2)O1 ZINC001594105718 998163149 /nfs/dbraw/zinc/16/31/49/998163149.db2.gz GNDYPNXTVUTENB-SECBINFHSA-N -1 0 325.386 3.675 20 0 EHADRM COc1cc(OC[C@@H](OC(C)C)c2ccccc2)ccc1C(=O)[O-] ZINC001599456288 998193916 /nfs/dbraw/zinc/19/39/16/998193916.db2.gz CUEKVUBQBYTRKV-GOSISDBHSA-N -1 0 330.380 3.939 20 0 EHADRM COc1cc(OCc2ncc(-c3ccccc3C)o2)ccc1C(=O)[O-] ZINC001599456626 998199402 /nfs/dbraw/zinc/19/94/02/998199402.db2.gz GXDCPIDHZYTATI-UHFFFAOYSA-N -1 0 339.347 3.936 20 0 EHADRM COC(=O)c1cc2cc(N[C@@H]3C[C@@H]4C[C@H](C(=O)[O-])C[C@H]34)ccc2s1 ZINC001598957508 998269624 /nfs/dbraw/zinc/26/96/24/998269624.db2.gz GUSFIOMGOHLROW-DTCNJJKHSA-N -1 0 345.420 3.599 20 0 EHADRM COc1cc(C(=O)[O-])cc(N[C@H]2CCc3c2cccc3F)c1OC ZINC001599362236 998280480 /nfs/dbraw/zinc/28/04/80/998280480.db2.gz NTCOVFCKWOCFHU-AWEZNQCLSA-N -1 0 331.343 3.641 20 0 EHADRM COc1cc(C(=O)[O-])cc(NCc2cc3ccc(C)cc3[nH]2)c1OC ZINC001599362797 998288402 /nfs/dbraw/zinc/28/84/02/998288402.db2.gz XLLRCTXBRGXWPT-UHFFFAOYSA-N -1 0 340.379 3.804 20 0 EHADRM COc1ccc(CNC(=O)Nc2cccc(C)c2Cl)cc1C(=O)[O-] ZINC001599569517 998342718 /nfs/dbraw/zinc/34/27/18/998342718.db2.gz JNRXBVPQAVQQCI-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N1CCCc2ccc(C(=O)[O-])cc21 ZINC001594136728 998382007 /nfs/dbraw/zinc/38/20/07/998382007.db2.gz RVVLQZRQTKCQHA-AGRHKRQWSA-N -1 0 335.403 3.714 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N(C)C1CCC(C)(C)CC1 ZINC001599370316 998399040 /nfs/dbraw/zinc/39/90/40/998399040.db2.gz GWKITHJVGHNKTK-UHFFFAOYSA-N -1 0 334.416 3.826 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)CSc1cc(C)ccc1C ZINC001599370303 998399047 /nfs/dbraw/zinc/39/90/47/998399047.db2.gz GJIMFYFFSJLBOE-UHFFFAOYSA-N -1 0 345.420 3.741 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N(C)Cc1cccc(C)c1C ZINC001599370292 998399566 /nfs/dbraw/zinc/39/95/66/998399566.db2.gz GIEZXSWXEXTDBF-UHFFFAOYSA-N -1 0 342.395 3.674 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)NC1(c2ccccc2)CCC1 ZINC001599372237 998429428 /nfs/dbraw/zinc/42/94/28/998429428.db2.gz CPKCHYSUGTWJCG-UHFFFAOYSA-N -1 0 340.379 3.594 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N[C@H]1CCC(C)(C)C[C@@H]1C ZINC001599372842 998438161 /nfs/dbraw/zinc/43/81/61/998438161.db2.gz QYEKSIQXMAENBS-AAEUAGOBSA-N -1 0 334.416 3.730 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)NCCCCC1CCCC1 ZINC001599373681 998452424 /nfs/dbraw/zinc/45/24/24/998452424.db2.gz RSWGSVPMGQSUTA-UHFFFAOYSA-N -1 0 334.416 3.875 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@@]1(C)CCCc2ccccc21 ZINC001599377488 998511128 /nfs/dbraw/zinc/51/11/28/998511128.db2.gz BIIJBXQTOCPZSC-FQEVSTJZSA-N -1 0 340.375 3.593 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)c1nsc2ccc(C)cc21 ZINC001599378716 998531890 /nfs/dbraw/zinc/53/18/90/998531890.db2.gz RRAIDGNPTRRHQI-UHFFFAOYSA-N -1 0 343.360 3.531 20 0 EHADRM COC[C@@H](N[C@H](C)c1ncc(C(=O)[O-])s1)c1ccc(Cl)cc1 ZINC001599172340 998624620 /nfs/dbraw/zinc/62/46/20/998624620.db2.gz CSADJBCVYXQQHX-BXKDBHETSA-N -1 0 340.832 3.533 20 0 EHADRM C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1Nc1ccc(Oc2cccnn2)cc1 ZINC001594185277 998718148 /nfs/dbraw/zinc/71/81/48/998718148.db2.gz OHDCDPPYLUAFCR-WWGRRREGSA-N -1 0 327.384 3.570 20 0 EHADRM COC(=O)c1ccc2nc(S[C@H](CC(C)(C)C)C(=O)[O-])oc2c1 ZINC001598991270 998740350 /nfs/dbraw/zinc/74/03/50/998740350.db2.gz HTQPHGVUBVBKPU-GFCCVEGCSA-N -1 0 337.397 3.596 20 0 EHADRM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1C(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC001594206157 998793320 /nfs/dbraw/zinc/79/33/20/998793320.db2.gz PSCZRYKHLGKUME-IUCAKERBSA-N -1 0 347.308 3.558 20 0 EHADRM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1C(=O)/C=C/c1ccc(Cl)s1 ZINC001594207166 998797239 /nfs/dbraw/zinc/79/72/39/998797239.db2.gz XHHPHGJIMXNOBR-NEPGKVPFSA-N -1 0 327.833 3.515 20 0 EHADRM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001594217287 998837497 /nfs/dbraw/zinc/83/74/97/998837497.db2.gz QNDOEUVTIWHBLK-MWLCHTKSSA-N -1 0 340.370 3.999 20 0 EHADRM C[C@@H]1C[C@@H](CC(=O)N[C@@](C)(CC(=O)[O-])c2cccnc2)CC(C)(C)C1 ZINC001594232787 998887869 /nfs/dbraw/zinc/88/78/69/998887869.db2.gz RNPTZYHPNXFKPJ-SIFCLUCFSA-N -1 0 346.471 3.740 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)c2cc(C(=O)[O-])co2)C[C@@H](c2ccccc2)C1 ZINC001594261259 999008677 /nfs/dbraw/zinc/00/86/77/999008677.db2.gz VCWOZQGCZBALRE-DUVNUKRYSA-N -1 0 327.380 3.680 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001594270106 999043921 /nfs/dbraw/zinc/04/39/21/999043921.db2.gz QDIRXRHWWUWIET-VBHSOAQHSA-N -1 0 341.382 3.931 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)c2cc(F)cc(C(=O)[O-])c2)C1 ZINC001594270454 999044972 /nfs/dbraw/zinc/04/49/72/999044972.db2.gz UUVFVTARPXDMIR-GTNSWQLSSA-N -1 0 345.345 3.886 20 0 EHADRM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001594278368 999077896 /nfs/dbraw/zinc/07/78/96/999077896.db2.gz NZAWGCPAQFFBGR-KNPMLCFXSA-N -1 0 348.468 3.667 20 0 EHADRM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001594284222 999101903 /nfs/dbraw/zinc/10/19/03/999101903.db2.gz KSUWEAGSSMYLSP-FYNNLBNCSA-N -1 0 329.440 3.637 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)N2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)c1 ZINC001599041316 999119719 /nfs/dbraw/zinc/11/97/19/999119719.db2.gz SNJKRPRJGRXWCN-RFUYNDQBSA-N -1 0 346.427 3.503 20 0 EHADRM CO[C@@H](C)c1nc(CNc2cc(C(=O)[O-])ccc2Cl)cs1 ZINC001599041853 999123473 /nfs/dbraw/zinc/12/34/73/999123473.db2.gz IBMVCLIFNDAXCO-QMMMGPOBSA-N -1 0 326.805 3.814 20 0 EHADRM C[C@@H]1CC=C(C(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)CC1 ZINC001594293190 999131139 /nfs/dbraw/zinc/13/11/39/999131139.db2.gz QVMDDRPXMWDJHF-CQSZACIVSA-N -1 0 342.439 3.534 20 0 EHADRM C[C@@H]1CC[C@@](C)(/C=C/C(=O)NCc2ccccc2CC(=O)[O-])C1(C)C ZINC001594296224 999141079 /nfs/dbraw/zinc/14/10/79/999141079.db2.gz ORDQOMMJNHTXIO-GRGDPMGVSA-N -1 0 343.467 3.949 20 0 EHADRM C[C@@H]1CC[C@H](CC(=O)Nc2ccc(Br)c(C(=O)[O-])c2)C1 ZINC001594303151 999172908 /nfs/dbraw/zinc/17/29/08/999172908.db2.gz VDHPRWWIDFSBMB-ZJUUUORDSA-N -1 0 340.217 3.912 20 0 EHADRM C[C@H]1CCC(F)(F)CN1C(=O)Nc1ccc2c(c1)[nH]cc2C(=O)[O-] ZINC001594307290 999187224 /nfs/dbraw/zinc/18/72/24/999187224.db2.gz WXJXHPIKDJSZCK-VIFPVBQESA-N -1 0 337.326 3.518 20 0 EHADRM C[C@H]1CC[C@@H](CNC(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC001594308561 999191376 /nfs/dbraw/zinc/19/13/76/999191376.db2.gz MBTQTHKGQLYNSO-VHSXEESVSA-N -1 0 342.342 3.544 20 0 EHADRM CC1CCC(N(C)C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)CC1 ZINC001594309952 999197981 /nfs/dbraw/zinc/19/79/81/999197981.db2.gz TVHMQHRNCFTLJN-UHFFFAOYSA-N -1 0 329.400 3.909 20 0 EHADRM C[C@@H]1CC[C@](NC(=O)[C@H]2CCC[C@@H](F)C2)(C(=O)[O-])c2ccccc21 ZINC001594314784 999218211 /nfs/dbraw/zinc/21/82/11/999218211.db2.gz SKEBEYHJQQHQFB-ZYKCCNLVSA-N -1 0 333.403 3.508 20 0 EHADRM C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)C1 ZINC001594330688 999271351 /nfs/dbraw/zinc/27/13/51/999271351.db2.gz WOFKOZOGJXMZDQ-VDHUWJSZSA-N -1 0 329.440 3.877 20 0 EHADRM CO[C@H](c1ccccc1Cl)[C@@H](C)Nc1cc(CC(=O)[O-])ccn1 ZINC001599064292 999288147 /nfs/dbraw/zinc/28/81/47/999288147.db2.gz VUHUWJHWCSWQOF-DIFFPNOSSA-N -1 0 334.803 3.550 20 0 EHADRM C[C@@H]1CCC[C@@H](C)N(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC001594343866 999300248 /nfs/dbraw/zinc/30/02/48/999300248.db2.gz SYAAEKAAWPFYGI-UTJXIGIESA-N -1 0 330.428 3.917 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N(C)[C@H]2CCC[C@@H](C)C2)cc1)C(=O)[O-] ZINC001594347953 999317216 /nfs/dbraw/zinc/31/72/16/999317216.db2.gz CUKUZPMIIDOPCF-KEYYUXOJSA-N -1 0 332.444 3.992 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1cccnc1SCCC(=O)[O-] ZINC001594363451 999371687 /nfs/dbraw/zinc/37/16/87/999371687.db2.gz DICXRDXJEJICDV-CHWSQXEVSA-N -1 0 336.457 3.803 20 0 EHADRM C[C@@H]1CCCC[C@@H]1C(=O)N[C@@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001594363941 999374694 /nfs/dbraw/zinc/37/46/94/999374694.db2.gz PFKGRLJKGOMGNS-MRAWALMUSA-N -1 0 337.847 3.668 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)c1ccc2oc(=O)nc-2[n-]1)C(C)(C)C ZINC000646902063 1016304585 /nfs/dbraw/zinc/30/45/85/1016304585.db2.gz PDZPWOLVWFFMOX-OAHLLOKOSA-N -1 0 339.395 3.754 20 0 EHADRM C[C@H]1CCCC[C@@H]1NC(=S)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001594370471 999396240 /nfs/dbraw/zinc/39/62/40/999396240.db2.gz HVDIGUJFYRPJDZ-WPRPVWTQSA-N -1 0 328.384 3.528 20 0 EHADRM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CC[C@H](c2ccco2)C1 ZINC000932502160 1016319460 /nfs/dbraw/zinc/31/94/60/1016319460.db2.gz QBBIMURXOZYVTM-VIFPVBQESA-N -1 0 326.179 3.922 20 0 EHADRM C[C@H]1CCCc2ccccc2[C@H]1NC(=O)c1ccc(C(=O)[O-])s1 ZINC001594388851 999472606 /nfs/dbraw/zinc/47/26/06/999472606.db2.gz OIFGDWVIXOZGIU-ZBEGNZNMSA-N -1 0 329.421 3.890 20 0 EHADRM C[C@H]1CCN(C(=O)c2cccc(SC(F)(F)F)c2)[C@@H](C(=O)[O-])C1 ZINC001594411324 999535514 /nfs/dbraw/zinc/53/55/14/999535514.db2.gz LIKMENSMAYMPOM-JOYOIKCWSA-N -1 0 347.358 3.624 20 0 EHADRM C[C@@H]1CCN(Cc2nc3cc(C(=O)[O-])ccc3[nH]2)[C@@H](c2ccco2)C1 ZINC001594427830 999599367 /nfs/dbraw/zinc/59/93/67/999599367.db2.gz YAFFXNBHAUQHSE-MLGOLLRUSA-N -1 0 339.395 3.827 20 0 EHADRM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001594444787 999635652 /nfs/dbraw/zinc/63/56/52/999635652.db2.gz AJEHXSNHSUANSG-APPDUMDISA-N -1 0 342.370 3.969 20 0 EHADRM C[C@@H]1CCn2cc(C(=O)Nc3cc4ccccc4c(C(=O)[O-])c3)nc2C1 ZINC001594452531 999652927 /nfs/dbraw/zinc/65/29/27/999652927.db2.gz SWFUOIBYRPZKMG-GFCCVEGCSA-N -1 0 349.390 3.569 20 0 EHADRM C[C@H]1CN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)[C@@H]1c1ccccc1 ZINC001594463518 999678451 /nfs/dbraw/zinc/67/84/51/999678451.db2.gz WOYWMDDBEZYGDX-RJAKNQMXSA-N -1 0 327.424 3.631 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cnn([C@@H](C)C3CC3)c2)ccc1Cl ZINC000655576819 1016395194 /nfs/dbraw/zinc/39/51/94/1016395194.db2.gz VGNLVXKPRHQLBC-NSHDSACASA-N -1 0 339.848 3.617 20 0 EHADRM C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655579001 1016431486 /nfs/dbraw/zinc/43/14/86/1016431486.db2.gz YWLXLLXADCQGSX-INMIOYRUSA-N -1 0 349.858 3.695 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655579955 1016452665 /nfs/dbraw/zinc/45/26/65/1016452665.db2.gz CFSJHXGHOWMOET-MXASKKJJSA-N -1 0 331.456 3.507 20 0 EHADRM CC(C)(C)OCc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000084461075 1016501970 /nfs/dbraw/zinc/50/19/70/1016501970.db2.gz IOQTUDJFJKLWNF-UHFFFAOYSA-N -1 0 325.455 3.864 20 0 EHADRM C[C@@H]1C[C@H](C)[C@H](C(=O)Nc2cc(Cl)cc(Br)c2[O-])O1 ZINC000407962866 1016513742 /nfs/dbraw/zinc/51/37/42/1016513742.db2.gz FZBSHDVEYIIVDK-QRPMWFLTSA-N -1 0 348.624 3.560 20 0 EHADRM CC(C)[C@@H](NC(=O)N=c1[n-]nc(-c2ccco2)s1)c1ccccc1 ZINC000510227930 1016525242 /nfs/dbraw/zinc/52/52/42/1016525242.db2.gz KHDLTZSBVMGGII-CQSZACIVSA-N -1 0 342.424 3.739 20 0 EHADRM CC(C)(CCNC(=O)NCc1ccc(-c2cccs2)cc1)C(=O)[O-] ZINC000659409088 1016659929 /nfs/dbraw/zinc/65/99/29/1016659929.db2.gz YOQMYNUAXGXSQD-UHFFFAOYSA-N -1 0 346.452 3.715 20 0 EHADRM CC(C)[C@H](NC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1)C1CC1 ZINC000659414939 1016664575 /nfs/dbraw/zinc/66/45/75/1016664575.db2.gz HXAUHDDQSSIMJP-SFHVURJKSA-N -1 0 344.455 3.708 20 0 EHADRM CC(C)(C)[C@H]1CCc2sc(C(=O)NCCCCC(=O)[O-])cc2C1 ZINC000236728602 1016731406 /nfs/dbraw/zinc/73/14/06/1016731406.db2.gz RNYWTBNCCHTQTN-ZDUSSCGKSA-N -1 0 337.485 3.884 20 0 EHADRM CN(C(=O)c1cc(Cc2ccccc2)ccc1O)[C@H]1CCSC1 ZINC000179997620 1016881912 /nfs/dbraw/zinc/88/19/12/1016881912.db2.gz HHZKQZXLQXQIMQ-INIZCTEOSA-N -1 0 327.449 3.561 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2ccc([C@H](C)CC(=O)[O-])cc2)c(C)c1 ZINC000181770580 1016985817 /nfs/dbraw/zinc/98/58/17/1016985817.db2.gz HEVDFHPIFBXBKH-CYBMUJFWSA-N -1 0 347.436 3.682 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000414606439 1017006527 /nfs/dbraw/zinc/00/65/27/1017006527.db2.gz DWEINYYUAYZCKN-INIZCTEOSA-N -1 0 338.835 3.687 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)N(C)CCC(=O)[O-])c1ccc(Cl)cc1 ZINC000414594884 1017003012 /nfs/dbraw/zinc/00/30/12/1017003012.db2.gz AFCWPRLMRDFPOE-IAQYHMDHSA-N -1 0 326.824 3.543 20 0 EHADRM Cc1nc(-c2ccc(C(=O)N(CC(=O)[O-])CC(C)(C)C)cc2)cs1 ZINC000659781915 1017012721 /nfs/dbraw/zinc/01/27/21/1017012721.db2.gz SMWWUHIEIRGCQS-UHFFFAOYSA-N -1 0 346.452 3.691 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000055150054 1017046251 /nfs/dbraw/zinc/04/62/51/1017046251.db2.gz GXUFHUYLUUXKOW-CFVMTHIKSA-N -1 0 327.380 3.585 20 0 EHADRM c1ccc([C@@H]2CCC[C@@H]2N=c2[n-]nc(C3CCOCC3)s2)cc1 ZINC000549122374 1017053650 /nfs/dbraw/zinc/05/36/50/1017053650.db2.gz IBGXMMNOAZIIIP-HOTGVXAUSA-N -1 0 329.469 3.602 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCC[C@H]1Cc1ccccc1 ZINC000183343954 1032163444 /nfs/dbraw/zinc/16/34/44/1032163444.db2.gz KBPCZBZAHGOJBC-LBPRGKRZSA-N -1 0 335.325 3.657 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCC2(CCCCC2)CC1 ZINC000183542709 1032179015 /nfs/dbraw/zinc/17/90/15/1032179015.db2.gz GULTXPQBKYZQPB-UHFFFAOYSA-N -1 0 327.346 3.996 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000184022093 1032226512 /nfs/dbraw/zinc/22/65/12/1032226512.db2.gz VXHMUQJFAXVDOH-NSHDSACASA-N -1 0 337.753 3.954 20 0 EHADRM COC(=O)c1coc(C(=O)[N-]c2cc(Cl)ccc2SC)c1 ZINC000184341237 1032286479 /nfs/dbraw/zinc/28/64/79/1032286479.db2.gz HYMINTBYNVTIJX-UHFFFAOYSA-N -1 0 325.773 3.694 20 0 EHADRM Cc1cc(-c2csc(C3(C(=O)[O-])CCOCC3)n2)c(F)cc1F ZINC000905002739 1032315455 /nfs/dbraw/zinc/31/54/55/1032315455.db2.gz LKZXDFOXTWXZMN-UHFFFAOYSA-N -1 0 339.363 3.530 20 0 EHADRM CC[C@@](CNC(=O)c1sccc1SC)(C(=O)[O-])c1ccccc1 ZINC000262955032 1032321534 /nfs/dbraw/zinc/32/15/34/1032321534.db2.gz INPWRSVYOQGUJN-KRWDZBQOSA-N -1 0 349.477 3.632 20 0 EHADRM O=C([O-])c1c[nH]c2cc(NC(=O)[C@@H]3CCOC4(CCCC4)C3)ccc21 ZINC000905044417 1032324765 /nfs/dbraw/zinc/32/47/65/1032324765.db2.gz QZIMYHWMGLKJAG-GFCCVEGCSA-N -1 0 342.395 3.544 20 0 EHADRM Cc1cc(Cl)cnc1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000461219067 1032337679 /nfs/dbraw/zinc/33/76/79/1032337679.db2.gz OZNOSSYPFHPLGW-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM O=C(Nc1cccc(-c2nc[nH]n2)c1)c1c([O-])cc(Cl)cc1Cl ZINC000081959439 1032376424 /nfs/dbraw/zinc/37/64/24/1032376424.db2.gz BDIPTYBEIRXCTI-UHFFFAOYSA-N -1 0 349.177 3.736 20 0 EHADRM COc1cc(S(=O)(=O)Nc2cccc(C3CCC3)c2)ccc1F ZINC000461330788 1032404089 /nfs/dbraw/zinc/40/40/89/1032404089.db2.gz FIZWAWJGEUJANZ-UHFFFAOYSA-N -1 0 335.400 3.903 20 0 EHADRM Cc1ccc(S[C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000538503880 1032404155 /nfs/dbraw/zinc/40/41/55/1032404155.db2.gz QLHWDLAWJGAJRP-NSHDSACASA-N -1 0 333.384 3.952 20 0 EHADRM CCN(C(=O)c1ccc(C(=O)[O-])cc1F)[C@@H](C)Cc1ccsc1 ZINC000263035682 1032415853 /nfs/dbraw/zinc/41/58/53/1032415853.db2.gz REPPTFXHIOZAKV-NSHDSACASA-N -1 0 335.400 3.679 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3C[C@@H](C)C[C@H]3C)n2)c1 ZINC000084404605 1032426708 /nfs/dbraw/zinc/42/67/08/1032426708.db2.gz CWANMHVNALGGSF-UONOGXRCSA-N -1 0 327.428 3.572 20 0 EHADRM CCN(C(=O)CCc1ccccc1C(=O)[O-])[C@@H](C)Cc1ccsc1 ZINC000263066356 1032428662 /nfs/dbraw/zinc/42/86/62/1032428662.db2.gz TUEDJRITRHHUQS-AWEZNQCLSA-N -1 0 345.464 3.859 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cnc3ccsc3c2)c(C)c1 ZINC000084460745 1032429549 /nfs/dbraw/zinc/42/95/49/1032429549.db2.gz XQXFJQDFFYGCBF-UHFFFAOYSA-N -1 0 348.449 3.804 20 0 EHADRM CC[C@@H]1C[C@@]1(NC(=O)NCCCCCC(=O)[O-])c1cccc(C)c1 ZINC000414629674 1017084073 /nfs/dbraw/zinc/08/40/73/1017084073.db2.gz RMHIHJLQAWQGJZ-BEFAXECRSA-N -1 0 332.444 3.564 20 0 EHADRM Cc1cc(F)cc([C@@]2(F)CCN(Cc3ccc(C(=O)[O-])cc3)C2)c1 ZINC000414637181 1017087558 /nfs/dbraw/zinc/08/75/58/1017087558.db2.gz LTOSBZJHMUUSLF-LJQANCHMSA-N -1 0 331.362 3.903 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])c1 ZINC000579911952 1017098799 /nfs/dbraw/zinc/09/87/99/1017098799.db2.gz LYPHMYNMBDQVLU-CXAGYDPISA-N -1 0 348.443 3.939 20 0 EHADRM CCN(C(=O)[C@H](C)S[C@H](C)C(=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000601994125 1032586272 /nfs/dbraw/zinc/58/62/72/1032586272.db2.gz LTCDLXQYHWACKR-RWMBFGLXSA-N -1 0 349.452 3.937 20 0 EHADRM CC[C@@H]1CN(C(=O)[C@H](C)S[C@@H](C)C(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000602001453 1032589275 /nfs/dbraw/zinc/58/92/75/1032589275.db2.gz NYGMZGCGNWEUKX-MPTYRVRUSA-N -1 0 349.496 3.624 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000606196971 1032601682 /nfs/dbraw/zinc/60/16/82/1032601682.db2.gz YPNOLAURJDEHAX-JTQLQIEISA-N -1 0 347.440 3.645 20 0 EHADRM CCc1ccc(CNC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)s1 ZINC000060649023 1032616758 /nfs/dbraw/zinc/61/67/58/1032616758.db2.gz OKGKYWAHAIVGEQ-UHFFFAOYSA-N -1 0 345.449 3.552 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cn2)sc1C ZINC000091051661 1032626994 /nfs/dbraw/zinc/62/69/94/1032626994.db2.gz XMPLYDJGFKDFME-UHFFFAOYSA-N -1 0 337.253 3.868 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl)c1cccs1 ZINC000642146429 1032637757 /nfs/dbraw/zinc/63/77/57/1032637757.db2.gz HGQPSTYCDWXMGQ-SCRDCRAPSA-N -1 0 349.839 3.837 20 0 EHADRM CC1(C)Cc2cc(-c3ccc4c(c3)[C@H](C(=O)[O-])CC(=O)N4)ccc2O1 ZINC000515432668 1032666084 /nfs/dbraw/zinc/66/60/84/1032666084.db2.gz IXMDXXXGTHEIOW-OAHLLOKOSA-N -1 0 337.375 3.578 20 0 EHADRM CCC[C@H](C(=O)N1CCC(CC(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000659120273 1017117746 /nfs/dbraw/zinc/11/77/46/1017117746.db2.gz JFTCZRYQRJQGMM-INIZCTEOSA-N -1 0 337.847 3.937 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N2CCCC(C)(C)C2)s1 ZINC000471342971 1017130545 /nfs/dbraw/zinc/13/05/45/1017130545.db2.gz SPYOPDPNPTVBRJ-UHFFFAOYSA-N -1 0 348.447 3.728 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N2CCC[C@H](C)[C@H]2C)s1 ZINC000471346057 1017143294 /nfs/dbraw/zinc/14/32/94/1017143294.db2.gz KVXGBVWIYYMADW-CMPLNLGQSA-N -1 0 348.447 3.727 20 0 EHADRM Cc1cc(F)ccc1C(=O)/C=C/c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000066746445 1017182225 /nfs/dbraw/zinc/18/22/25/1017182225.db2.gz BYIAVCXIHSCBHC-PPGNKHEKSA-N -1 0 328.339 3.882 20 0 EHADRM CC(=O)Nc1cc(Cl)ccc1NC(=O)c1ccc([O-])c(Cl)c1 ZINC000183578638 1017342416 /nfs/dbraw/zinc/34/24/16/1017342416.db2.gz SPFREHTWFOJCBD-UHFFFAOYSA-N -1 0 339.178 3.910 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)[C@@H]3CC[C@@H](C)C3)n2)cc1 ZINC000430446254 1017519199 /nfs/dbraw/zinc/51/91/99/1017519199.db2.gz CHLXGIDCGBIENI-RHSMWYFYSA-N -1 0 341.455 3.962 20 0 EHADRM Cc1[nH]c2ccc(C(=O)N[C@H](CC(=O)[O-])C3CCCCC3)cc2c1C ZINC000537401561 1032705982 /nfs/dbraw/zinc/70/59/82/1032705982.db2.gz WFBOVPALVIEHPA-GOSISDBHSA-N -1 0 342.439 3.938 20 0 EHADRM COc1ccc2cc(CN=c3[n-]nc(CC4CCCC4)o3)ccc2c1 ZINC000537405454 1032709924 /nfs/dbraw/zinc/70/99/24/1032709924.db2.gz JSQLYOCWNJVXOD-UHFFFAOYSA-N -1 0 337.423 3.998 20 0 EHADRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC000547955606 1017587162 /nfs/dbraw/zinc/58/71/62/1017587162.db2.gz KWUCKACNZWGTDG-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1cc(C(C)(C)C)no1 ZINC000547955358 1017591992 /nfs/dbraw/zinc/59/19/92/1017591992.db2.gz KKYHOBYKSTXUPU-UHFFFAOYSA-N -1 0 345.424 3.630 20 0 EHADRM CC(C)Oc1ccc(C(=O)/C=C/c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000023987655 1017617258 /nfs/dbraw/zinc/61/72/58/1017617258.db2.gz BWKPKWFKRPJZBL-LFYBBSHMSA-N -1 0 340.375 3.833 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]C(=O)CC(C)(C)CC(F)F)c1 ZINC000892874201 1017626787 /nfs/dbraw/zinc/62/67/87/1017626787.db2.gz ARBNBEVILMFBOZ-UHFFFAOYSA-N -1 0 347.427 3.686 20 0 EHADRM CCc1ccc(C(=O)[O-])cc1NCc1cnc([C@H]2CCCO2)s1 ZINC000669474070 1032717047 /nfs/dbraw/zinc/71/70/47/1032717047.db2.gz IPCRYPCSZVEZGG-OAHLLOKOSA-N -1 0 332.425 3.867 20 0 EHADRM CCC(CC)C(=O)N[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000447893558 1017883597 /nfs/dbraw/zinc/88/35/97/1017883597.db2.gz NYVXMFYKVOFZQN-ZDUSSCGKSA-N -1 0 332.227 3.542 20 0 EHADRM Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000602271304 1032743030 /nfs/dbraw/zinc/74/30/30/1032743030.db2.gz SPJLXGSIVSMNOW-KSZLIROESA-N -1 0 329.440 3.865 20 0 EHADRM C[C@@H](O)c1cccc(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)c1 ZINC001210515739 1018142731 /nfs/dbraw/zinc/14/27/31/1018142731.db2.gz TXWRNBYMRRARGA-GFCCVEGCSA-N -1 0 343.404 3.883 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2C[C@H](c3ccccc3C)C[C@@H]2C)s1 ZINC000606545913 1032746444 /nfs/dbraw/zinc/74/64/44/1032746444.db2.gz IMRIBGMQXXJYPO-UONOGXRCSA-N -1 0 344.484 3.631 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2n[nH]c(-c3ccccc3)c2C)s1 ZINC000340515033 1018200357 /nfs/dbraw/zinc/20/03/57/1018200357.db2.gz LECYJWZTOVKPJE-UHFFFAOYSA-N -1 0 333.438 3.556 20 0 EHADRM CC(C)N(C(=O)c1cc(Oc2ccccc2)ccc1O)[C@H]1CCOC1 ZINC000644686048 1018200978 /nfs/dbraw/zinc/20/09/78/1018200978.db2.gz AXGPKNJWFCLGCT-HNNXBMFYSA-N -1 0 341.407 3.824 20 0 EHADRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cccc(F)c2C)n[nH]1 ZINC000471505009 1018398538 /nfs/dbraw/zinc/39/85/38/1018398538.db2.gz BLZRXPCMGRWJJJ-SNVBAGLBSA-N -1 0 325.409 3.562 20 0 EHADRM CCCCN([C@@H](C)CC)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000013251013 1018445095 /nfs/dbraw/zinc/44/50/95/1018445095.db2.gz CTMMFHFMBXQQPN-NSHDSACASA-N -1 0 347.864 3.628 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1O ZINC000006352415 1018464014 /nfs/dbraw/zinc/46/40/14/1018464014.db2.gz YAKPOLCFNUTXGC-UHFFFAOYSA-N -1 0 338.237 3.870 20 0 EHADRM CCN(Cc1cccc(-c2ccncc2)c1)C(=O)c1ccc(O)cc1O ZINC000377855220 1018485279 /nfs/dbraw/zinc/48/52/79/1018485279.db2.gz JPZMGFPXEOLYPY-UHFFFAOYSA-N -1 0 348.402 3.822 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1cnn(CC(C)C)c1C(F)F ZINC000340580989 1018575558 /nfs/dbraw/zinc/57/55/58/1018575558.db2.gz NBKSEFASYSCNFA-UHFFFAOYSA-N -1 0 349.428 3.647 20 0 EHADRM CN(C(=O)N[C@H]1CCSc2ccccc21)C1(C(=O)[O-])CCCCC1 ZINC000580147655 1018707237 /nfs/dbraw/zinc/70/72/37/1018707237.db2.gz FWLHEXKRHNBERO-AWEZNQCLSA-N -1 0 348.468 3.652 20 0 EHADRM COc1ccc(C)cc1/C=C/C(=O)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000062692711 1032787982 /nfs/dbraw/zinc/78/79/82/1032787982.db2.gz QZCROZIMMVJGNQ-VFNNOXKTSA-N -1 0 340.375 3.752 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H]1C(=O)Nc1cc(Br)ccc1Cl ZINC000128103531 1018974100 /nfs/dbraw/zinc/97/41/00/1018974100.db2.gz OSVDVOHZMZKVFN-IUCAKERBSA-N -1 0 346.608 3.542 20 0 EHADRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2nc(C)c(C)o2)c1 ZINC000340639846 1019052092 /nfs/dbraw/zinc/05/20/92/1019052092.db2.gz VGCARRQAOQLLLB-UHFFFAOYSA-N -1 0 328.821 3.698 20 0 EHADRM Fc1cncc(Nc2cccc([S-])c2)c1I ZINC001210945664 1019097664 /nfs/dbraw/zinc/09/76/64/1019097664.db2.gz QVXRYGDJCPWOQC-UHFFFAOYSA-N -1 0 346.168 3.858 20 0 EHADRM Cc1nc(C)c(CN[C@]2(C(=O)[O-])C[C@H](C(C)C)c3ccccc32)s1 ZINC000340672455 1019146883 /nfs/dbraw/zinc/14/68/83/1019146883.db2.gz AECGKDUPJZLQJN-DNVCBOLYSA-N -1 0 344.480 3.973 20 0 EHADRM COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1cc(O)ccc1Cl ZINC000340683664 1019279300 /nfs/dbraw/zinc/27/93/00/1019279300.db2.gz OYBQKJAPJMUQBF-AEFFLSMTSA-N -1 0 331.799 3.514 20 0 EHADRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)n[nH]1 ZINC000476076978 1032821041 /nfs/dbraw/zinc/82/10/41/1032821041.db2.gz CIBJLHUFBOPVRP-SECBINFHSA-N -1 0 343.399 3.701 20 0 EHADRM O=C([N-]C1(c2ccc(Br)cc2)CCCC1)C(F)(F)F ZINC000729374044 1019331471 /nfs/dbraw/zinc/33/14/71/1019331471.db2.gz NUEJZRFJZHURFR-UHFFFAOYSA-N -1 0 336.151 3.897 20 0 EHADRM CCCc1c(C(=O)[O-])nnn1Cc1cccc(-c2ccccc2C)c1 ZINC000515671818 1032826380 /nfs/dbraw/zinc/82/63/80/1032826380.db2.gz ZAMQXKIDUNYZTE-UHFFFAOYSA-N -1 0 335.407 3.953 20 0 EHADRM Cn1ccc2cccc([N-]S(=O)(=O)c3cccc(Cl)c3F)c21 ZINC000471576186 1019354248 /nfs/dbraw/zinc/35/42/48/1019354248.db2.gz AXMJDZBZLVHEIS-UHFFFAOYSA-N -1 0 338.791 3.772 20 0 EHADRM CCOC(=O)c1cnc(/C=C\c2ccc(OCC)cc2)c(C(=O)[O-])c1 ZINC000513227100 1019443585 /nfs/dbraw/zinc/44/35/85/1019443585.db2.gz AORWAKFKBUPXEY-YFHOEESVSA-N -1 0 341.363 3.526 20 0 EHADRM O=C(N=c1[n-]ncs1)N[C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000433622825 1019461482 /nfs/dbraw/zinc/46/14/82/1019461482.db2.gz SNJCTUSPMJDHKL-ZDUSSCGKSA-N -1 0 336.848 3.666 20 0 EHADRM CCC[C@@H](NC(=O)N=c1nc([C@H](C)OC)[n-]s1)C1CCCCC1 ZINC000580499754 1019499995 /nfs/dbraw/zinc/49/99/95/1019499995.db2.gz KLRYBBJBHWXRKJ-WCQYABFASA-N -1 0 340.493 3.538 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)N=c1[n-]nc(C3CC3)s1)CC2 ZINC000580511993 1019522902 /nfs/dbraw/zinc/52/29/02/1019522902.db2.gz OQSXEOFBKZKYPO-HNNXBMFYSA-N -1 0 342.468 3.770 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1cnc(-c2cccnc2)s1 ZINC000548106525 1019542611 /nfs/dbraw/zinc/54/26/11/1019542611.db2.gz AVDDXONGSRAOOA-UHFFFAOYSA-N -1 0 349.774 3.956 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)c1ccc(C(F)F)cc1F ZINC000656242021 1019552894 /nfs/dbraw/zinc/55/28/94/1019552894.db2.gz KPQGUSBTIGDWPL-CQSZACIVSA-N -1 0 343.345 3.917 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@]2(C)C(=O)[O-])sc1-c1ccccc1 ZINC000656242458 1019557448 /nfs/dbraw/zinc/55/74/48/1019557448.db2.gz XMLRMMOOPMVOLN-GOSISDBHSA-N -1 0 329.421 3.803 20 0 EHADRM CC[C@@H](CC(=O)N1CCc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000262280967 1019580819 /nfs/dbraw/zinc/58/08/19/1019580819.db2.gz ZMBAIVHEFOSSOB-HNNXBMFYSA-N -1 0 337.419 3.853 20 0 EHADRM Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)CC(C)(C)C(=O)[O-] ZINC000262300835 1019588339 /nfs/dbraw/zinc/58/83/39/1019588339.db2.gz ZOQOXIYAQQSFEA-LLVKDONJSA-N -1 0 346.452 3.797 20 0 EHADRM Cc1oc(CN(C)C(=O)C2(c3cc(C)cc(C)c3)CC2)cc1C(=O)[O-] ZINC000262511413 1019652474 /nfs/dbraw/zinc/65/24/74/1019652474.db2.gz PAYLWZHJQKEUSH-UHFFFAOYSA-N -1 0 341.407 3.593 20 0 EHADRM Cc1nc(-c2cccc(C(=O)NC3(CC(=O)[O-])CCCC3)c2)cs1 ZINC000262833562 1019743480 /nfs/dbraw/zinc/74/34/80/1019743480.db2.gz GCPMASDTBDMSGJ-UHFFFAOYSA-N -1 0 344.436 3.636 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000262914686 1019765794 /nfs/dbraw/zinc/76/57/94/1019765794.db2.gz JXXXDGKLAYBSMO-WCQGTBRESA-N -1 0 342.222 3.563 20 0 EHADRM CC[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccccc1)c1ccc(C)cc1 ZINC000172660284 1032852631 /nfs/dbraw/zinc/85/26/31/1032852631.db2.gz UXCWEXKILVLFBV-KRWDZBQOSA-N -1 0 345.464 3.525 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)CC2CC(c3ccccc3)C2)C1 ZINC000262966473 1019780721 /nfs/dbraw/zinc/78/07/21/1019780721.db2.gz MLNPXFRZWVGLHV-LAGYLCCXSA-N -1 0 329.440 3.530 20 0 EHADRM C[C@@H](NC(=O)C[C@H](C)c1ccccc1)c1ccc(OCC(=O)[O-])cc1 ZINC000262985554 1019783352 /nfs/dbraw/zinc/78/33/52/1019783352.db2.gz JVRGSXHGWTWCOI-LSDHHAIUSA-N -1 0 341.407 3.521 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N[C@@H](CC1CC1)C(=O)[O-] ZINC000263028617 1019794463 /nfs/dbraw/zinc/79/44/63/1019794463.db2.gz ZEVINHMKFOUVHI-INIZCTEOSA-N -1 0 337.375 3.878 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000650291010 1019814907 /nfs/dbraw/zinc/81/49/07/1019814907.db2.gz CUTAASXQRPMBBB-CQSZACIVSA-N -1 0 335.469 3.518 20 0 EHADRM O=C([O-])CCCCC(=O)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000263259227 1019855036 /nfs/dbraw/zinc/85/50/36/1019855036.db2.gz GBYAPXILFBIOHS-UHFFFAOYSA-N -1 0 339.382 3.881 20 0 EHADRM Cc1nc(C(=O)N(C)c2ccc(C(C)(C)C)cc2)ccc1C(=O)[O-] ZINC000263314849 1019868632 /nfs/dbraw/zinc/86/86/32/1019868632.db2.gz HJTLZQRROJHKHO-UHFFFAOYSA-N -1 0 326.396 3.662 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@H](C)c1c(F)cccc1F ZINC000263479633 1019914554 /nfs/dbraw/zinc/91/45/54/1019914554.db2.gz AGOZXIATFOWLFN-WBMJQRKESA-N -1 0 347.361 3.709 20 0 EHADRM CC(C)(CC(=O)N(CCCC(=O)[O-])Cc1ccccc1)C(F)(F)F ZINC000263518621 1019924225 /nfs/dbraw/zinc/92/42/25/1019924225.db2.gz FXVZQWZSDZMPFL-UHFFFAOYSA-N -1 0 345.361 3.859 20 0 EHADRM O=C(N=c1[n-]nc(C2CC2)s1)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000549943871 1019939581 /nfs/dbraw/zinc/93/95/81/1019939581.db2.gz KBIXADGVWPREPF-CABCVRRESA-N -1 0 342.468 3.685 20 0 EHADRM O=C(N=c1[n-]nc(C2CC2)s1)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000549943874 1019939810 /nfs/dbraw/zinc/93/98/10/1019939810.db2.gz KBIXADGVWPREPF-LSDHHAIUSA-N -1 0 342.468 3.685 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)N[C@H](C)c1c(F)cccc1Cl)C1CC1 ZINC000580826612 1020099712 /nfs/dbraw/zinc/09/97/12/1020099712.db2.gz LGNBPGOYJFXCSS-NOZJJQNGSA-N -1 0 342.798 3.577 20 0 EHADRM CSc1ccccc1NC(=O)CSc1n[n-]c(=S)s1 ZINC000175966228 1020155026 /nfs/dbraw/zinc/15/50/26/1020155026.db2.gz MLVTWHARTUFTEC-UHFFFAOYSA-N -1 0 329.497 3.653 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000261718880 1020267763 /nfs/dbraw/zinc/26/77/63/1020267763.db2.gz QLLRJPWENHTXMN-RRFJBIMHSA-N -1 0 331.412 3.695 20 0 EHADRM O=C(Nc1ccccc1-c1ncco1)c1cc(F)c(F)c([O-])c1F ZINC001167439956 1020297598 /nfs/dbraw/zinc/29/75/98/1020297598.db2.gz NMGGPBPTZAFCGS-UHFFFAOYSA-N -1 0 334.253 3.717 20 0 EHADRM O=C(Cc1ccc(-n2cccn2)cc1)Nc1cc(Cl)c([O-])cc1F ZINC000345612993 1020386366 /nfs/dbraw/zinc/38/63/66/1020386366.db2.gz USLMRZYTYSUEIJ-UHFFFAOYSA-N -1 0 345.761 3.552 20 0 EHADRM O=C(CCC(=O)c1ccc(F)cc1)Nc1cc(Cl)c([O-])cc1F ZINC000345632093 1020404594 /nfs/dbraw/zinc/40/45/94/1020404594.db2.gz MDIWPCQVTRXFLE-UHFFFAOYSA-N -1 0 339.725 3.925 20 0 EHADRM CC(C)(c1ccccc1)C1(NC(=O)CC2CCC(C(=O)[O-])CC2)CC1 ZINC000581081600 1020408540 /nfs/dbraw/zinc/40/85/40/1020408540.db2.gz BXPCEGHYYYXZRS-UHFFFAOYSA-N -1 0 343.467 3.894 20 0 EHADRM CCC(CC)(CC(=O)Nc1cccc(COCC2CC2)c1)C(=O)[O-] ZINC000065012812 1020435946 /nfs/dbraw/zinc/43/59/46/1020435946.db2.gz NXIUHROCWRSBDE-UHFFFAOYSA-N -1 0 333.428 3.833 20 0 EHADRM Cc1c(C(=O)Nc2cc(Cl)c([O-])cc2F)cnn1-c1ccccc1 ZINC000345665143 1020436153 /nfs/dbraw/zinc/43/61/53/1020436153.db2.gz XBHSCQNRCZVGSQ-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM C[C@H](Sc1ccccn1)C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000345665130 1020436436 /nfs/dbraw/zinc/43/64/36/1020436436.db2.gz WVLBQHORLQXZGK-QMMMGPOBSA-N -1 0 326.780 3.699 20 0 EHADRM COc1ccccc1-n1ncc(C)c1Nc1ccc(C(=O)[O-])cc1C ZINC001211620744 1032901568 /nfs/dbraw/zinc/90/15/68/1032901568.db2.gz DUKYMAOOGBMIRL-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM Cn1cc(C(=O)Nc2cc(Cl)c([O-])cc2F)c(-c2ccccc2)n1 ZINC000345704150 1020445243 /nfs/dbraw/zinc/44/52/43/1020445243.db2.gz XBLOYGMREJNFPX-UHFFFAOYSA-N -1 0 345.761 3.838 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cc1csc2ccccc12 ZINC000345771196 1020501142 /nfs/dbraw/zinc/50/11/42/1020501142.db2.gz FRVXXVWDMSIZAJ-WQVCFCJDSA-N -1 0 343.448 3.688 20 0 EHADRM Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)CCCc1ccc(O)c(F)c1 ZINC000345798151 1020527840 /nfs/dbraw/zinc/52/78/40/1020527840.db2.gz YCSMZSXWEIMEDI-INIZCTEOSA-N -1 0 345.418 3.558 20 0 EHADRM FC(F)c1n[n-]c(=N[C@H]2C[C@H]2c2ccc(Br)cc2)s1 ZINC000340900914 1020569676 /nfs/dbraw/zinc/56/96/76/1020569676.db2.gz LEHRAUQKFNGSJN-IUCAKERBSA-N -1 0 346.200 3.628 20 0 EHADRM FC(F)c1n[n-]c(=N[C@@H]2C[C@H]2c2ccc(Br)cc2)s1 ZINC000340900912 1020569754 /nfs/dbraw/zinc/56/97/54/1020569754.db2.gz LEHRAUQKFNGSJN-DTWKUNHWSA-N -1 0 346.200 3.628 20 0 EHADRM Cc1nc2ccc(NC(=O)c3cc(F)c(F)c([O-])c3F)cc2s1 ZINC000345931602 1020619183 /nfs/dbraw/zinc/61/91/83/1020619183.db2.gz GBXGKLXTQKOXPN-UHFFFAOYSA-N -1 0 338.310 3.980 20 0 EHADRM Cn1cc(/C=C/C(=O)c2csc(C(=O)[O-])c2)c(-c2cccs2)n1 ZINC000093901952 1032921420 /nfs/dbraw/zinc/92/14/20/1032921420.db2.gz BNNBDAGKWXWNQD-SNAWJCMRSA-N -1 0 344.417 3.804 20 0 EHADRM O=C([O-])[C@]1(CC(=O)Nc2ccc3c(c2)C=CCCC3)CCSC1 ZINC000656484730 1020706498 /nfs/dbraw/zinc/70/64/98/1020706498.db2.gz DSDAVLXSRUYXDP-SFHVURJKSA-N -1 0 331.437 3.573 20 0 EHADRM CCc1cccc(NC(=O)N(C)[C@@H](C(=O)[O-])c2cccc(OC)c2)c1 ZINC000656505027 1020763699 /nfs/dbraw/zinc/76/36/99/1020763699.db2.gz XSLISRYCAIZKIT-QGZVFWFLSA-N -1 0 342.395 3.547 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)N[C@@](C)(CCF)C(=O)[O-])ccc21 ZINC000656506847 1020769045 /nfs/dbraw/zinc/76/90/45/1020769045.db2.gz ZUPUZCLNAIHEHH-SFHVURJKSA-N -1 0 349.406 3.622 20 0 EHADRM CCN(C)C(=O)N[C@H](c1cc(Cl)cc(Cl)c1)C(C)(C)C(=O)[O-] ZINC000656528153 1020839072 /nfs/dbraw/zinc/83/90/72/1020839072.db2.gz VZGSOYFACFVGDN-GFCCVEGCSA-N -1 0 347.242 3.807 20 0 EHADRM O=C(NCCC(c1ccccc1)c1ccccc1)c1cncc(O)c1 ZINC000135725559 1032941774 /nfs/dbraw/zinc/94/17/74/1032941774.db2.gz YDOGPRCETUHLQN-UHFFFAOYSA-N -1 0 332.403 3.739 20 0 EHADRM CCCOc1ccc(C(=O)[O-])cc1NCc1cc(COC)cs1 ZINC000656566842 1020933438 /nfs/dbraw/zinc/93/34/38/1020933438.db2.gz XCEYSTAIYZNNSB-UHFFFAOYSA-N -1 0 335.425 3.994 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000581465903 1020936689 /nfs/dbraw/zinc/93/66/89/1020936689.db2.gz SELZSDRYBBMKTK-DJIMGWMZSA-N -1 0 332.444 3.813 20 0 EHADRM CCc1cccc2cc(CN[C@@H](C(=O)[O-])c3ccccc3OC)oc21 ZINC000656572339 1020941743 /nfs/dbraw/zinc/94/17/43/1020941743.db2.gz HSMLKWVKZBHFHC-GOSISDBHSA-N -1 0 339.391 3.919 20 0 EHADRM CC[C@H](C)C[C@H](NC(=O)C[C@H](c1ccccc1)C(F)(F)F)C(=O)[O-] ZINC000581550710 1021080995 /nfs/dbraw/zinc/08/09/95/1021080995.db2.gz LSLVOSOWXKYJNP-YUTCNCBUSA-N -1 0 345.361 3.728 20 0 EHADRM CCC[C@@H]1CCC[C@H]1C(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1 ZINC000581560021 1021088628 /nfs/dbraw/zinc/08/86/28/1021088628.db2.gz SELXYOFCZUYOLK-BGTYHANMSA-N -1 0 329.440 3.530 20 0 EHADRM N#C/C(=C\c1cccc(C(=O)[O-])c1Cl)C(=O)c1cccc(C#N)c1 ZINC000188806729 1021134137 /nfs/dbraw/zinc/13/41/37/1021134137.db2.gz CKPKDQUBGHIPLW-RIYZIHGNSA-N -1 0 336.734 3.700 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(C(C)C)on2)ccc1C(F)(F)F ZINC000518451776 1021190134 /nfs/dbraw/zinc/19/01/34/1021190134.db2.gz QOEQVGWVHSFISB-UHFFFAOYSA-N -1 0 348.346 3.926 20 0 EHADRM O=C(c1cc(CCc2ccccc2)ccc1O)N1CCC(F)(F)C1 ZINC000436779124 1021205866 /nfs/dbraw/zinc/20/58/66/1021205866.db2.gz VCPFSWMCDHGLER-UHFFFAOYSA-N -1 0 331.362 3.659 20 0 EHADRM Cc1ccnc([N-]S(=O)(=O)c2cnc3ccsc3c2)c1C1CC1 ZINC000656738218 1021233007 /nfs/dbraw/zinc/23/30/07/1021233007.db2.gz HARHNOGETXXPQN-UHFFFAOYSA-N -1 0 345.449 3.678 20 0 EHADRM Cc1cc(C)cc(OCCCOc2ccc(-c3n[n-]c(=N)o3)cc2)c1 ZINC000439200426 1021234949 /nfs/dbraw/zinc/23/49/49/1021234949.db2.gz QLDMXGFFBFYZAH-UHFFFAOYSA-N -1 0 339.395 3.614 20 0 EHADRM CCn1ncc(C)c1[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000656742062 1021249711 /nfs/dbraw/zinc/24/97/11/1021249711.db2.gz WCZWQUCYZKEGMA-UHFFFAOYSA-N -1 0 348.255 3.627 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000439223375 1021254604 /nfs/dbraw/zinc/25/46/04/1021254604.db2.gz NBNNCFUJJSLEAD-AGIUHOORSA-N -1 0 339.505 3.570 20 0 EHADRM CN(C(=O)c1cc(Cl)cc(Br)c1[O-])[C@H]1CC1(C)C ZINC000436865203 1021304084 /nfs/dbraw/zinc/30/40/84/1021304084.db2.gz RUXOVRIPEUVBAP-JTQLQIEISA-N -1 0 332.625 3.679 20 0 EHADRM CCc1ccc([C@H]2CCN(C(=O)c3cc(F)c([O-])c(F)c3)C2)cc1 ZINC000436855033 1021281016 /nfs/dbraw/zinc/28/10/16/1021281016.db2.gz VZIUZTNIDXJZQE-AWEZNQCLSA-N -1 0 331.362 3.863 20 0 EHADRM C[C@@H]1C[C@@H](CCNC(=O)c2c([O-])cc(Cl)cc2Cl)CCO1 ZINC000436839083 1021281518 /nfs/dbraw/zinc/28/15/18/1021281518.db2.gz OELSFBWEWAKLOI-ZJUUUORDSA-N -1 0 332.227 3.634 20 0 EHADRM O=C([O-])[C@@H]1CC[N@H+](Cc2ncccc2C(F)(F)F)[C@@H]2CCCC[C@H]12 ZINC000656764882 1021296915 /nfs/dbraw/zinc/29/69/15/1021296915.db2.gz LMRXBTSHLUDJQZ-LALPHHSUSA-N -1 0 342.361 3.566 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)COc2ccc(Cl)c(C)c2)c1 ZINC000436862788 1021302029 /nfs/dbraw/zinc/30/20/29/1021302029.db2.gz PTMKFZVIWPCTOF-UHFFFAOYSA-N -1 0 333.771 3.574 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)c1 ZINC000436875001 1021320320 /nfs/dbraw/zinc/32/03/20/1021320320.db2.gz XHEKWRPNINBCEW-OLZOCXBDSA-N -1 0 331.318 3.615 20 0 EHADRM Cc1nc(C)c(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)s1 ZINC000427336627 1021321809 /nfs/dbraw/zinc/32/18/09/1021321809.db2.gz RWNPVRQDSWCMTN-UHFFFAOYSA-N -1 0 349.437 3.524 20 0 EHADRM CCC(CC)[C@H]1C[C@@H](NC(=O)c2cc(F)cc(Cl)c2[O-])CCO1 ZINC000436907637 1021353350 /nfs/dbraw/zinc/35/33/50/1021353350.db2.gz GGKADFHSODPXOK-SWLSCSKDSA-N -1 0 343.826 3.898 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)N(CC(=O)[O-])C3CCC3)cc2)cs1 ZINC000516383423 1021372874 /nfs/dbraw/zinc/37/28/74/1021372874.db2.gz MVPDNUXHIUEZLW-UHFFFAOYSA-N -1 0 345.424 3.590 20 0 EHADRM Cc1sc2nc(C)nc(N3CCC[C@H](CCC(=O)[O-])C3)c2c1C ZINC000323606217 1021392512 /nfs/dbraw/zinc/39/25/12/1021392512.db2.gz JIXJLIVMQAJMJO-CYBMUJFWSA-N -1 0 333.457 3.698 20 0 EHADRM COc1cccc(C2(CNC(=O)c3cc(F)c([O-])c(Cl)c3)CC2)c1 ZINC000436932632 1021393240 /nfs/dbraw/zinc/39/32/40/1021393240.db2.gz PTHOSYWQHOOMHQ-UHFFFAOYSA-N -1 0 349.789 3.655 20 0 EHADRM Cc1ccc(C(C)(C)CNC(=O)CC2(C(=O)[O-])CCCC2)c(C)c1 ZINC000427445314 1021396001 /nfs/dbraw/zinc/39/60/01/1021396001.db2.gz ZYYATOMILJTOOY-UHFFFAOYSA-N -1 0 331.456 3.732 20 0 EHADRM C[C@@H](NC(=O)c1ccccc1CCC(=O)[O-])[C@@H](C)c1ccccc1 ZINC000909409948 1021397835 /nfs/dbraw/zinc/39/78/35/1021397835.db2.gz CCUOFLGEMULQCI-HUUCEWRRSA-N -1 0 325.408 3.626 20 0 EHADRM C[C@@]1(c2ccccc2)CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000436943349 1021404475 /nfs/dbraw/zinc/40/44/75/1021404475.db2.gz LSZJLQQVJNIGDZ-GOSISDBHSA-N -1 0 333.790 3.989 20 0 EHADRM C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436961534 1021409608 /nfs/dbraw/zinc/40/96/08/1021409608.db2.gz HQOJVBKXDWVSQX-QFYYESIMSA-N -1 0 349.789 3.649 20 0 EHADRM CCCN(CC1CC1)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000436995279 1021450468 /nfs/dbraw/zinc/45/04/68/1021450468.db2.gz ANAPQGSXJFSLHE-UHFFFAOYSA-N -1 0 330.197 3.556 20 0 EHADRM Cc1ccc(-n2cccn2)cc1NC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436995776 1021452978 /nfs/dbraw/zinc/45/29/78/1021452978.db2.gz DTXJZTQEIUDAGO-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM O=C(NCC1(C(F)F)CC1)c1cc(Cl)c2ccccc2c1[O-] ZINC000436986873 1021458430 /nfs/dbraw/zinc/45/84/30/1021458430.db2.gz IHHRIHHZOVZUMO-UHFFFAOYSA-N -1 0 325.742 3.974 20 0 EHADRM CCSc1nccnc1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000437001954 1021473536 /nfs/dbraw/zinc/47/35/36/1021473536.db2.gz RJWQQQWZHXMFGO-UHFFFAOYSA-N -1 0 344.223 3.853 20 0 EHADRM O=C(c1c(O)cccc1O)N1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000439561714 1021557743 /nfs/dbraw/zinc/55/77/43/1021557743.db2.gz IWDAQYUXJHEUIH-UHFFFAOYSA-N -1 0 349.789 3.852 20 0 EHADRM O=C(Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000048616128 1021564495 /nfs/dbraw/zinc/56/44/95/1021564495.db2.gz KCCQQUANFDYYBF-UHFFFAOYSA-N -1 0 345.754 3.506 20 0 EHADRM CCCCCc1nnc([N-]S(=O)(=O)c2ccc(CC)s2)s1 ZINC000437165216 1021619325 /nfs/dbraw/zinc/61/93/25/1021619325.db2.gz NAFUFDRBPOEIFW-UHFFFAOYSA-N -1 0 345.515 3.696 20 0 EHADRM CCC(CC)c1nnc([N-]S(=O)(=O)c2cccc(Cl)c2)s1 ZINC000437176657 1021625296 /nfs/dbraw/zinc/62/52/96/1021625296.db2.gz NJGKHPABZPUSLS-UHFFFAOYSA-N -1 0 345.877 3.896 20 0 EHADRM COc1ccc([C@@H](NC(=O)CC2CCC(C(=O)[O-])CC2)C(C)C)cc1 ZINC000516772751 1021719549 /nfs/dbraw/zinc/71/95/49/1021719549.db2.gz FVNVOMVRLYMZNO-KJXMEXGPSA-N -1 0 347.455 3.790 20 0 EHADRM C[C@@H](CC(=O)[O-])N(C)C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000516786988 1021729789 /nfs/dbraw/zinc/72/97/89/1021729789.db2.gz IAFAGBRDYIHGFA-JTQLQIEISA-N -1 0 332.227 3.638 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccnn2-c2ccc(Cl)cc2)c1 ZINC000437323521 1021730185 /nfs/dbraw/zinc/73/01/85/1021730185.db2.gz KPYJXAWHJYDSNM-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM Cc1ccc2nc(C(=O)N=c3nc(-c4ccccc4)[n-]s3)ccc2c1 ZINC000516789912 1021736836 /nfs/dbraw/zinc/73/68/36/1021736836.db2.gz JMMRFLVJETUUIK-UHFFFAOYSA-N -1 0 346.415 3.736 20 0 EHADRM CC(C)COc1ccccc1CNC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000518983786 1021742159 /nfs/dbraw/zinc/74/21/59/1021742159.db2.gz SGYHNXYFKBMWEB-UHFFFAOYSA-N -1 0 347.455 3.619 20 0 EHADRM CC[C@@H](C)[C@@H](C)N(C(=O)c1nn(-c2cccc(F)c2)cc1[O-])C1CC1 ZINC000550313103 1021743227 /nfs/dbraw/zinc/74/32/27/1021743227.db2.gz HSPAXTBZBSRPCE-CHWSQXEVSA-N -1 0 345.418 3.756 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nc3ccccc3s2)c(F)cc1F ZINC000439874566 1021786548 /nfs/dbraw/zinc/78/65/48/1021786548.db2.gz QTIKDOWKVQNTEH-UHFFFAOYSA-N -1 0 340.376 3.684 20 0 EHADRM Cc1cccc(C[C@@H](CNC(=O)c2ccc(C(C)C)s2)C(=O)[O-])c1 ZINC000439907115 1021805181 /nfs/dbraw/zinc/80/51/81/1021805181.db2.gz ZRXPUVGQUWDPKI-HNNXBMFYSA-N -1 0 345.464 3.853 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccnn1[C@@H](C)CC(C)C ZINC000437411273 1021806437 /nfs/dbraw/zinc/80/64/37/1021806437.db2.gz NBDHQVKQFCNHOA-LBPRGKRZSA-N -1 0 339.436 3.739 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nc3ccsc3s2)c(F)cc1F ZINC000439894536 1021808543 /nfs/dbraw/zinc/80/85/43/1021808543.db2.gz CZVCHZJEMDXVAG-UHFFFAOYSA-N -1 0 346.405 3.745 20 0 EHADRM CSc1ccc(CCNC(=O)c2cc(F)c(F)c([O-])c2F)cc1 ZINC000437529894 1021922948 /nfs/dbraw/zinc/92/29/48/1021922948.db2.gz ZWXCJHTVOBJEKY-UHFFFAOYSA-N -1 0 341.354 3.504 20 0 EHADRM CCOc1ccc([C@H](C)N=c2nc(C3CC3)[n-]s2)cc1OCC ZINC000426564594 1021925174 /nfs/dbraw/zinc/92/51/74/1021925174.db2.gz GRRWJHJJQOXRHV-NSHDSACASA-N -1 0 333.457 3.808 20 0 EHADRM CCC(CC)(CC(=O)NCc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000520158987 1021974221 /nfs/dbraw/zinc/97/42/21/1021974221.db2.gz BDTBTINMSSWCPA-UHFFFAOYSA-N -1 0 332.227 3.891 20 0 EHADRM Cc1ccc(-c2[n-][nH]c(=NC(=O)[C@@H]3[C@H](C)[C@@H]3c3ccccc3)c2C)o1 ZINC000437668042 1022040026 /nfs/dbraw/zinc/04/00/26/1022040026.db2.gz RMVXMKSZHPMNLF-CSMYWGQOSA-N -1 0 335.407 3.697 20 0 EHADRM CCC[C@@]1(C)CCCN(C(=O)N=c2[n-]nc(SCC)s2)C1 ZINC000437676563 1022047792 /nfs/dbraw/zinc/04/77/92/1022047792.db2.gz SECVQEUSHUMKRK-AWEZNQCLSA-N -1 0 328.507 3.506 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nc3c(s2)CCCCC3)ccc1F ZINC000519362879 1022049644 /nfs/dbraw/zinc/04/96/44/1022049644.db2.gz CQPLVHDVTQROAJ-UHFFFAOYSA-N -1 0 340.445 3.660 20 0 EHADRM COc1cc(Oc2ccccc2)ccc1[N-]S(=O)(=O)c1ccco1 ZINC000437678851 1022050663 /nfs/dbraw/zinc/05/06/63/1022050663.db2.gz YQEHCWDQBJLQQJ-UHFFFAOYSA-N -1 0 345.376 3.881 20 0 EHADRM Cc1nc(=NC(=O)c2ccccc2SCc2cccs2)s[n-]1 ZINC000440296401 1022073627 /nfs/dbraw/zinc/07/36/27/1022073627.db2.gz YJWGZJGASHBPCQ-UHFFFAOYSA-N -1 0 347.490 3.875 20 0 EHADRM CCCn1nc(C)c(-c2cccc(C(=O)C[C@H](C)C(=O)[O-])c2)c1C ZINC000574339233 1033028605 /nfs/dbraw/zinc/02/86/05/1033028605.db2.gz CHZNWNKDCMFZQR-LBPRGKRZSA-N -1 0 328.412 3.870 20 0 EHADRM CCc1nc(CNCc2cc3cc(F)ccc3o2)ccc1C(=O)[O-] ZINC000426638516 1022119637 /nfs/dbraw/zinc/11/96/37/1022119637.db2.gz QWTMFFUFHAPNIA-UHFFFAOYSA-N -1 0 328.343 3.517 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1Cc2ccc(O)cc2C2(CC2)C1 ZINC000520301271 1022120953 /nfs/dbraw/zinc/12/09/53/1022120953.db2.gz CJFLVWIITDHETA-UHFFFAOYSA-N -1 0 347.773 3.578 20 0 EHADRM CCC(=O)c1cccc(S(=O)(=O)Nc2cccc3ncccc32)c1 ZINC000126127245 1022154284 /nfs/dbraw/zinc/15/42/84/1022154284.db2.gz FALJVEPDERRNGR-UHFFFAOYSA-N -1 0 340.404 3.628 20 0 EHADRM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)C[C@@H]1CCCO1 ZINC000048471735 1022155414 /nfs/dbraw/zinc/15/54/14/1022155414.db2.gz PUYPYIDNXKYIKU-AWEZNQCLSA-N -1 0 339.457 3.507 20 0 EHADRM O=C(N[C@H]1C[C@@H]1c1c(F)cccc1Cl)c1c([O-])cc(F)cc1F ZINC000607191223 1033035398 /nfs/dbraw/zinc/03/53/98/1033035398.db2.gz ZJOSIEYRBMCLEH-UFBFGSQYSA-N -1 0 341.716 3.749 20 0 EHADRM CC(C)[C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c2ccccc21 ZINC000517376613 1022294627 /nfs/dbraw/zinc/29/46/27/1022294627.db2.gz CKKKTERYPBEAEE-MJSCVDMRSA-N -1 0 329.440 3.878 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nc3cc(Cl)ccc3n2C)cc1C ZINC000517386367 1022298573 /nfs/dbraw/zinc/29/85/73/1022298573.db2.gz MLAMCSUJVWKQBD-UHFFFAOYSA-N -1 0 349.843 3.644 20 0 EHADRM C[C@H](C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-])c1cccc(Cl)c1 ZINC000262034940 1022393710 /nfs/dbraw/zinc/39/37/10/1022393710.db2.gz BRJOMQDJKWCKIX-XJKSGUPXSA-N -1 0 345.826 3.503 20 0 EHADRM CCc1[nH]nc([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)c1C ZINC000438226618 1022486046 /nfs/dbraw/zinc/48/60/46/1022486046.db2.gz NQWGXPHFXDVASS-UHFFFAOYSA-N -1 0 349.843 3.888 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)[C@@H](C)CC1CCCC1 ZINC000550121255 1022513747 /nfs/dbraw/zinc/51/37/47/1022513747.db2.gz ZUHPGZKEZSJBNL-LBPRGKRZSA-N -1 0 328.416 3.641 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1csc2c1CCCC2)c1cccs1 ZINC000238029435 1033064719 /nfs/dbraw/zinc/06/47/19/1033064719.db2.gz WQEKDSQEAGWFTQ-LBPRGKRZSA-N -1 0 335.450 3.634 20 0 EHADRM CCOC(=O)c1ccc(NC)c(Nc2ccc(C(=O)[O-])cc2C)c1 ZINC001211622518 1033068853 /nfs/dbraw/zinc/06/88/53/1033068853.db2.gz GHANQDWFXFEPKZ-UHFFFAOYSA-N -1 0 328.368 3.655 20 0 EHADRM CC(C)[C@H]1CCCN(C(=O)c2cccc(Br)c2[O-])C1 ZINC000548382847 1022670209 /nfs/dbraw/zinc/67/02/09/1022670209.db2.gz DZDDAJPHQRRNRW-NSHDSACASA-N -1 0 326.234 3.663 20 0 EHADRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cccc(C)c2Cl)c1C ZINC000331126734 1022750802 /nfs/dbraw/zinc/75/08/02/1022750802.db2.gz ZCLVJJYYQHFRNQ-LLVKDONJSA-N -1 0 341.864 3.925 20 0 EHADRM COc1c(C)ccc(NC(=O)c2c(C)ccc(C)c2C(=O)[O-])c1C ZINC000326580109 1033083230 /nfs/dbraw/zinc/08/32/30/1033083230.db2.gz HXSCUCINLGICDP-UHFFFAOYSA-N -1 0 327.380 3.879 20 0 EHADRM O=C(Nc1cnn(-c2ccccc2F)c1)c1ccc([O-])c(Cl)c1 ZINC000088463866 1022772267 /nfs/dbraw/zinc/77/22/67/1022772267.db2.gz KOHMNPMGZXVXLD-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM O=S(=O)([N-]c1ccccc1Oc1ccncc1)c1ccccc1 ZINC000111995626 1022783427 /nfs/dbraw/zinc/78/34/27/1022783427.db2.gz UZTCSTZNEAIBFY-UHFFFAOYSA-N -1 0 326.377 3.675 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000048518865 1022798900 /nfs/dbraw/zinc/79/89/00/1022798900.db2.gz NKYZDMBMZURWEU-UHFFFAOYSA-N -1 0 330.192 3.687 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)C[C@H]2CCCc3ccccc32)c1 ZINC000262090786 1022825185 /nfs/dbraw/zinc/82/51/85/1022825185.db2.gz COAQIBWHAITADW-QGZVFWFLSA-N -1 0 337.419 3.554 20 0 EHADRM O=S(=O)([N-]c1cc(C2CCCC2)[nH]n1)c1cc(F)ccc1Cl ZINC000126829845 1022855094 /nfs/dbraw/zinc/85/50/94/1022855094.db2.gz RCNDWHOIKTVAQA-UHFFFAOYSA-N -1 0 343.811 3.661 20 0 EHADRM CCc1coc(NC(=O)c2cc(Br)cc(Cl)c2[O-])n1 ZINC000550244665 1022855643 /nfs/dbraw/zinc/85/56/43/1022855643.db2.gz OIYIRLCABIBNSD-UHFFFAOYSA-N -1 0 345.580 3.611 20 0 EHADRM O=C(N=c1nc(Cc2ccccc2)[n-]s1)c1sccc1Cl ZINC000510679480 1022870794 /nfs/dbraw/zinc/87/07/94/1022870794.db2.gz HUIYIKSODXQNFE-UHFFFAOYSA-N -1 0 335.841 3.518 20 0 EHADRM CCCC[C@@H](NC(=O)Nc1ccc2c(ccn2CCC)c1)C(=O)[O-] ZINC000517987699 1022904276 /nfs/dbraw/zinc/90/42/76/1022904276.db2.gz VCKVVBBLLCBUAC-OAHLLOKOSA-N -1 0 331.416 3.816 20 0 EHADRM Cc1oc(-c2ccccc2)nc1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000346013354 1022930762 /nfs/dbraw/zinc/93/07/62/1022930762.db2.gz IQNYQBDOCJOYEA-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2ccc(F)c3ccccc23)Cc2ccccc21 ZINC000909423335 1022934598 /nfs/dbraw/zinc/93/45/98/1022934598.db2.gz NJAUNOOEJDHCRH-SFHVURJKSA-N -1 0 349.361 3.803 20 0 EHADRM C[C@@H]1CCc2nc(CN[C@H](CC(=O)[O-])c3ccsc3)sc2C1 ZINC000426684635 1022960867 /nfs/dbraw/zinc/96/08/67/1022960867.db2.gz AIEPSXQYCCCNND-ZWNOBZJWSA-N -1 0 336.482 3.635 20 0 EHADRM CCC(CC)(CC(=O)NCc1ccc(-c2cccnc2)cc1)C(=O)[O-] ZINC000438759201 1022972844 /nfs/dbraw/zinc/97/28/44/1022972844.db2.gz REVMDENLOVDSTQ-UHFFFAOYSA-N -1 0 340.423 3.646 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)C2(c3ccc(F)cc3)CC2)s1 ZINC000048528870 1022993622 /nfs/dbraw/zinc/99/36/22/1022993622.db2.gz PNTLGIKEHMOLFZ-UHFFFAOYSA-N -1 0 339.413 3.573 20 0 EHADRM O=C(N[C@H]1CC[C@@H](Cc2ccccc2)C1)c1cc(F)c(F)c([O-])c1F ZINC000189339410 1023009597 /nfs/dbraw/zinc/00/95/97/1023009597.db2.gz AWZQOMRWQITTEX-STQMWFEESA-N -1 0 349.352 3.951 20 0 EHADRM CCn1nc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)c2ccccc21 ZINC000426741975 1023010051 /nfs/dbraw/zinc/01/00/51/1023010051.db2.gz NVQNFTPNKQZPMY-QGZVFWFLSA-N -1 0 343.814 3.625 20 0 EHADRM COc1ccc2oc(CN[C@@H](C(=O)[O-])c3c(F)cccc3F)cc2c1 ZINC000426748604 1023019649 /nfs/dbraw/zinc/01/96/49/1023019649.db2.gz YTBKNYPLLWYDJC-QGZVFWFLSA-N -1 0 347.317 3.635 20 0 EHADRM O=S(=O)([N-]c1cccc(O)c1)c1ccc(Cl)c(F)c1Cl ZINC000189474424 1023035653 /nfs/dbraw/zinc/03/56/53/1023035653.db2.gz ZTFGLMVOULCYMM-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM COc1ccc(-n2cc([O-])c(C(=O)Nc3ccsc3Cl)n2)cc1 ZINC000189497639 1023040029 /nfs/dbraw/zinc/04/00/29/1023040029.db2.gz WQZFRBSGTROGOU-UHFFFAOYSA-N -1 0 349.799 3.554 20 0 EHADRM O=C([O-])[C@H](NCc1ncc(-c2ccccc2)s1)c1cccc(F)c1 ZINC000426810754 1023061053 /nfs/dbraw/zinc/06/10/53/1023061053.db2.gz JSPCDKQURWYLSK-QGZVFWFLSA-N -1 0 342.395 3.865 20 0 EHADRM O=C([O-])[C@H](NCc1cnc(-c2cccs2)s1)c1cccc(F)c1 ZINC000426818669 1023064619 /nfs/dbraw/zinc/06/46/19/1023064619.db2.gz GCKCFSOEDDKTMG-CQSZACIVSA-N -1 0 348.424 3.926 20 0 EHADRM C[C@@H](CN(C)C(=O)c1cc2cc(C(F)(F)F)ccc2s1)C(=O)[O-] ZINC000579377703 1023067381 /nfs/dbraw/zinc/06/73/81/1023067381.db2.gz XAWIMOIWYCRGTH-QMMMGPOBSA-N -1 0 345.342 3.713 20 0 EHADRM C[C@@H]1CCC[C@H](NC(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)C1 ZINC000574376339 1033103322 /nfs/dbraw/zinc/10/33/22/1033103322.db2.gz JJMSFUIDILVNHZ-DOMZBBRYSA-N -1 0 338.835 3.515 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC(C)(C)C3)n2)cc1 ZINC000075235697 1023097475 /nfs/dbraw/zinc/09/74/75/1023097475.db2.gz OKNSJPJPTMHYIS-UHFFFAOYSA-N -1 0 327.428 3.573 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)C(=O)[O-] ZINC000346017622 1023125779 /nfs/dbraw/zinc/12/57/79/1023125779.db2.gz POLMFZVUYSGONH-FUXBKTLASA-N -1 0 343.210 3.704 20 0 EHADRM Cc1ccccc1-c1noc(-c2nc[n-]c2C(=O)c2ccccc2)n1 ZINC000519590756 1023146791 /nfs/dbraw/zinc/14/67/91/1023146791.db2.gz BSCRRAPDNRVFFL-UHFFFAOYSA-N -1 0 330.347 3.666 20 0 EHADRM CCSc1nccnc1-c1noc(-c2ccc([O-])c(Cl)c2)n1 ZINC000438925715 1023155738 /nfs/dbraw/zinc/15/57/38/1023155738.db2.gz APANTKYCWAIKES-UHFFFAOYSA-N -1 0 334.788 3.665 20 0 EHADRM Cc1cc(NC(=O)CC(C)(C)CC(=O)[O-])ccc1C(=O)OC(C)(C)C ZINC000536391335 1023185310 /nfs/dbraw/zinc/18/53/10/1023185310.db2.gz UUGNRHQFYFKCAM-UHFFFAOYSA-N -1 0 349.427 3.780 20 0 EHADRM Cc1ccc(CCCC(=O)N=c2nc(-c3ccsc3)[n-]s2)cc1 ZINC000518280813 1023191563 /nfs/dbraw/zinc/19/15/63/1023191563.db2.gz PHXHEURCQSZWSK-UHFFFAOYSA-N -1 0 343.477 3.958 20 0 EHADRM COc1cc([C@H](C)N=c2[n-]nc(C3CC3)o2)ccc1OC1CCCC1 ZINC000341725443 1023194101 /nfs/dbraw/zinc/19/41/01/1023194101.db2.gz ZMFIRVDKBNVSAV-LBPRGKRZSA-N -1 0 343.427 3.872 20 0 EHADRM CCCN(CC(C)C)C(=O)c1nn(-c2ccccc2CC)cc1[O-] ZINC000438992904 1023198467 /nfs/dbraw/zinc/19/84/67/1023198467.db2.gz IZPJXDWYGCPSRN-UHFFFAOYSA-N -1 0 329.444 3.649 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)s1 ZINC000439038591 1023229191 /nfs/dbraw/zinc/22/91/91/1023229191.db2.gz ATLXMYDZWHREQD-UHFFFAOYSA-N -1 0 337.466 3.781 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)[C@H]3CC[C@H](C)C3)n2)c1 ZINC000507300890 1023241949 /nfs/dbraw/zinc/24/19/49/1023241949.db2.gz QPTQPEDQHGSECY-HOCLYGCPSA-N -1 0 341.455 3.962 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)Nc1cc(C(C)=O)ccc1[O-] ZINC000476321237 1033119095 /nfs/dbraw/zinc/11/90/95/1033119095.db2.gz LVSZTMFPVYDOLZ-ZDUSSCGKSA-N -1 0 341.407 3.811 20 0 EHADRM CCCc1nc(C)c([N-]S(=O)(=O)c2sc(C)cc2C)s1 ZINC000431142555 1023327408 /nfs/dbraw/zinc/32/74/08/1023327408.db2.gz FSYIMJFRDIIRQK-UHFFFAOYSA-N -1 0 330.500 3.883 20 0 EHADRM O=C([O-])c1ccc2nc(/C=C/c3cnn(CC(F)F)c3)ccc2c1 ZINC000431177504 1023383303 /nfs/dbraw/zinc/38/33/03/1023383303.db2.gz AAGMHBKOKZOHAM-DAFODLJHSA-N -1 0 329.306 3.565 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)CCc2ccccc2F)c1 ZINC000476318312 1033132606 /nfs/dbraw/zinc/13/26/06/1033132606.db2.gz DPHUUPZVUMYWPA-LBPRGKRZSA-N -1 0 329.371 3.941 20 0 EHADRM CCN(CC1CCC1)C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000510929404 1023497824 /nfs/dbraw/zinc/49/78/24/1023497824.db2.gz FXJAUJKDFLKIQA-UHFFFAOYSA-N -1 0 341.455 3.964 20 0 EHADRM C[C@@H]1[C@@H](C(=O)Nc2cccc(Cl)c2[O-])CCN1c1ccccc1 ZINC000476335015 1033139004 /nfs/dbraw/zinc/13/90/04/1033139004.db2.gz JZVIXEUPAQPSGD-OCCSQVGLSA-N -1 0 330.815 3.899 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000431210434 1023525436 /nfs/dbraw/zinc/52/54/36/1023525436.db2.gz HDKQLJGRCSGPPN-UOJCXKCYSA-N -1 0 349.858 3.763 20 0 EHADRM CC(C)(C)CN(CC(C)(C)C)C(=O)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000471980512 1023751667 /nfs/dbraw/zinc/75/16/67/1023751667.db2.gz RYZUUDSRMLGWJJ-UHFFFAOYSA-N -1 0 346.397 3.843 20 0 EHADRM O=C([O-])/C=C\c1cnc(/C=C/c2cncc(Br)c2)s1 ZINC000588476319 1023787274 /nfs/dbraw/zinc/78/72/74/1023787274.db2.gz JXASZXCCHDLTRO-TZFCGSKZSA-N -1 0 337.198 3.569 20 0 EHADRM COC(=O)c1ccc(C(=O)Nc2c(F)cc(Cl)c(C)c2F)o1 ZINC000342057656 1023809613 /nfs/dbraw/zinc/80/96/13/1023809613.db2.gz CXPFXEGAZJBRMN-UHFFFAOYSA-N -1 0 329.686 3.559 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccccc2)cn1)c1cc(F)cc(F)c1 ZINC000598371401 1033164705 /nfs/dbraw/zinc/16/47/05/1033164705.db2.gz XRFXSVDWUBISHS-UHFFFAOYSA-N -1 0 346.358 3.828 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000326890930 1023957379 /nfs/dbraw/zinc/95/73/79/1023957379.db2.gz FVDNXEUNOHGKKI-FQEVSTJZSA-N -1 0 341.407 3.845 20 0 EHADRM COc1ccc2cccc(CC(=O)Nc3ccc(C(=O)[O-])cc3)c2c1 ZINC000190600554 1023964535 /nfs/dbraw/zinc/96/45/35/1023964535.db2.gz MOLOADXAXOWZSU-UHFFFAOYSA-N -1 0 335.359 3.728 20 0 EHADRM CC(=O)Nc1cccc(NC(=O)CC2(C(=O)[O-])CCCCCC2)c1C ZINC000236578201 1023998491 /nfs/dbraw/zinc/99/84/91/1023998491.db2.gz UXLCCBPUOIUBGV-UHFFFAOYSA-N -1 0 346.427 3.707 20 0 EHADRM C[C@H](CSc1n[n-]c(=N)n1C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000443469604 1024010703 /nfs/dbraw/zinc/01/07/03/1024010703.db2.gz RSYCSRFDRPBGHU-SECBINFHSA-N -1 0 342.390 3.940 20 0 EHADRM O=S(=O)([N-]c1cccc2ccsc21)c1cccc(F)c1F ZINC000443469375 1024010794 /nfs/dbraw/zinc/01/07/94/1024010794.db2.gz RERFQLRTVFWJEX-UHFFFAOYSA-N -1 0 325.361 3.980 20 0 EHADRM F[C@H](CSc1n[n-]c(=NCc2ccccc2)s1)C(F)(F)F ZINC000443477203 1024025506 /nfs/dbraw/zinc/02/55/06/1024025506.db2.gz PXUYSQMGZQGMBS-SECBINFHSA-N -1 0 337.367 3.565 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000522539933 1024050327 /nfs/dbraw/zinc/05/03/27/1024050327.db2.gz ODVYZEIMANJKRY-ROUUACIJSA-N -1 0 329.403 3.671 20 0 EHADRM CC(C)[C@H](C(=O)[O-])[S@](=O)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000594659154 1033494150 /nfs/dbraw/zinc/49/41/50/1033494150.db2.gz MLQXXLJJZWQSKZ-WSVYEEACSA-N -1 0 342.766 3.717 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N=c3ccc(C4CC4)n[n-]3)o2)cc1 ZINC000443888294 1024096234 /nfs/dbraw/zinc/09/62/34/1024096234.db2.gz YHFMLFZGMFJLTK-UHFFFAOYSA-N -1 0 333.391 3.851 20 0 EHADRM Cc1cc(-c2cccc(C3(C(=O)[O-])CC3)c2)ccc1O[C@H]1CCOC1 ZINC000657204835 1024097163 /nfs/dbraw/zinc/09/71/63/1024097163.db2.gz QSEOYLQEMOKLIL-SFHVURJKSA-N -1 0 338.403 3.946 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3ccccc3n2)c(C)c1 ZINC000522587298 1024098846 /nfs/dbraw/zinc/09/88/46/1024098846.db2.gz DURIFVNKNSNPAO-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)N3[C@H](C(=O)[O-])C[C@H]4CCCC[C@@H]43)cc2C1 ZINC000323923504 1024101830 /nfs/dbraw/zinc/10/18/30/1024101830.db2.gz WCCJQWXTZYGVIA-UXOAXIEHSA-N -1 0 347.480 3.731 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC000262191468 1024107311 /nfs/dbraw/zinc/10/73/11/1024107311.db2.gz YWYKCKVBZVSVJH-RDTXWAMCSA-N -1 0 343.398 3.960 20 0 EHADRM CC(C)Oc1cccc([C@@H](C)NC(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000236769075 1024121732 /nfs/dbraw/zinc/12/17/32/1024121732.db2.gz OLQPTFYDOMYJEY-LLVKDONJSA-N -1 0 333.409 3.725 20 0 EHADRM COc1cccc([C@@H](C)NC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)c1 ZINC000522622533 1024122577 /nfs/dbraw/zinc/12/25/77/1024122577.db2.gz YGWMKBIRMHXHDF-JLTOFOAXSA-N -1 0 347.455 3.934 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)N2CCC[C@H](C(C)(C)C)CC2)s1 ZINC000522621867 1024122811 /nfs/dbraw/zinc/12/28/11/1024122811.db2.gz NZMSZNYYHMAGHG-LBPRGKRZSA-N -1 0 338.521 3.938 20 0 EHADRM Cc1ccc(O[C@@H](C)C(=O)[O-])c(-c2cncc(C(F)(F)F)c2)c1 ZINC000657206334 1024128858 /nfs/dbraw/zinc/12/88/58/1024128858.db2.gz KORQJGGTVYULKW-JTQLQIEISA-N -1 0 325.286 3.928 20 0 EHADRM Cc1cc(CC(C)(C)C(=O)[O-])ccc1-c1cc2c(cc1CO)OCO2 ZINC000657207754 1024130549 /nfs/dbraw/zinc/13/05/49/1024130549.db2.gz GPDWGZCULJVXBU-UHFFFAOYSA-N -1 0 342.391 3.536 20 0 EHADRM C[C@@H](CC(=O)c1cccc(-c2cccc3c2OCCCO3)c1)C(=O)[O-] ZINC000657207554 1024131094 /nfs/dbraw/zinc/13/10/94/1024131094.db2.gz NBFDFPAXNMIHTI-ZDUSSCGKSA-N -1 0 340.375 3.808 20 0 EHADRM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(F)(F)F ZINC000443931823 1024139763 /nfs/dbraw/zinc/13/97/63/1024139763.db2.gz WYAZXRMTKIZHTB-HQJQHLMTSA-N -1 0 347.761 3.734 20 0 EHADRM COc1ccc(CNc2ccc(C[C@H](C)C(=O)[O-])cc2)c(OC)c1 ZINC000417605112 1024140929 /nfs/dbraw/zinc/14/09/29/1024140929.db2.gz AEYUUTBHYVVJCJ-ZDUSSCGKSA-N -1 0 329.396 3.579 20 0 EHADRM CC[C@@]1(C)CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CCO1 ZINC000443570383 1024157047 /nfs/dbraw/zinc/15/70/47/1024157047.db2.gz CSUPKDRZZGQRAO-SFHVURJKSA-N -1 0 333.815 3.840 20 0 EHADRM CCCn1nc(C)c(CNc2ccc(C(C)(C)C(=O)[O-])cc2)c1C ZINC000417631709 1024207181 /nfs/dbraw/zinc/20/71/81/1024207181.db2.gz WCAUTEXNLOUWEQ-UHFFFAOYSA-N -1 0 329.444 3.884 20 0 EHADRM Clc1ccsc1CSc1n[n-]c(=NC[C@H]2CCCO2)s1 ZINC000505455564 1024232226 /nfs/dbraw/zinc/23/22/26/1024232226.db2.gz NMIMRIVWQDIDJG-MRVPVSSYSA-N -1 0 347.918 3.558 20 0 EHADRM Cc1ccccc1S([O-])=CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000108090651 1024236130 /nfs/dbraw/zinc/23/61/30/1024236130.db2.gz ZYJQMRLJZQVXTE-WHEQGISXSA-N -1 0 335.856 3.633 20 0 EHADRM Cc1cc(C)c(-c2noc(-c3cc(Cl)nc(Cl)c3[O-])n2)cn1 ZINC001213237138 1024287513 /nfs/dbraw/zinc/28/75/13/1024287513.db2.gz WNLNFVSTEMSISA-UHFFFAOYSA-N -1 0 337.166 3.823 20 0 EHADRM CC[C@@H](C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC000192891059 1024289250 /nfs/dbraw/zinc/28/92/50/1024289250.db2.gz GXSVEQIDANGYLD-RTBURBONSA-N -1 0 339.435 3.773 20 0 EHADRM CSCCc1ccc([N-]S(=O)(=O)c2ccc(C)cc2F)cc1 ZINC000520627652 1024298079 /nfs/dbraw/zinc/29/80/79/1024298079.db2.gz RCRPQXMMUKUKRM-UHFFFAOYSA-N -1 0 339.457 3.840 20 0 EHADRM CCC[C@@H](CC1CCCC1)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000193003527 1024299694 /nfs/dbraw/zinc/29/96/94/1024299694.db2.gz WXFYQODIRXCYLL-AWEZNQCLSA-N -1 0 335.448 3.638 20 0 EHADRM CC[C@@H](CC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000193095706 1024306863 /nfs/dbraw/zinc/30/68/63/1024306863.db2.gz YSAPPKQTDBCKAK-KKSFZXQISA-N -1 0 339.435 3.729 20 0 EHADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1 ZINC000191539285 1024395148 /nfs/dbraw/zinc/39/51/48/1024395148.db2.gz XQIVWLAFFAQIGS-MRXNPFEDSA-N -1 0 331.799 3.546 20 0 EHADRM C[C@@H](C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1)c1ccccc1F ZINC000191544821 1024412297 /nfs/dbraw/zinc/41/22/97/1024412297.db2.gz UCVPQIRHSZRWLI-GDBMZVCRSA-N -1 0 343.398 3.522 20 0 EHADRM CCC(CC)c1n[n-]c(=NCc2cnn(-c3ccccc3)c2)s1 ZINC000346124065 1024424814 /nfs/dbraw/zinc/42/48/14/1024424814.db2.gz VHQIBNHIBJZZRF-UHFFFAOYSA-N -1 0 327.457 3.661 20 0 EHADRM C[C@@H](CNC(=O)c1cccc(Cl)c1[O-])Oc1ccccc1Cl ZINC001126516928 1024428314 /nfs/dbraw/zinc/42/83/14/1024428314.db2.gz LNNNJUXOUXPUSF-JTQLQIEISA-N -1 0 340.206 3.896 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)N(CC(=O)[O-])C2CCCC2)c1 ZINC000520708815 1024469617 /nfs/dbraw/zinc/46/96/17/1024469617.db2.gz SWOQNTJKMBDCSV-UHFFFAOYSA-N -1 0 348.443 3.973 20 0 EHADRM C[C@@H](NC(=O)CC1(C(=O)[O-])CCCCCC1)c1ccc(F)cc1F ZINC000391775563 1024498413 /nfs/dbraw/zinc/49/84/13/1024498413.db2.gz BNMMCWGGBWNQTG-GFCCVEGCSA-N -1 0 339.382 3.957 20 0 EHADRM CC(C)(CCC(=O)[O-])C(=O)Nc1cccc(COCc2ccco2)c1 ZINC000634817519 1024518291 /nfs/dbraw/zinc/51/82/91/1024518291.db2.gz DYJVNUFFNCOGSK-UHFFFAOYSA-N -1 0 345.395 3.826 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1cc(-c2nc(C)no2)ccc1C ZINC000607613989 1033218005 /nfs/dbraw/zinc/21/80/05/1033218005.db2.gz YUONWBDSNHWTEG-UHFFFAOYSA-N -1 0 349.437 3.524 20 0 EHADRM Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)CC1(C(=O)[O-])CCC1 ZINC000262510603 1033221754 /nfs/dbraw/zinc/22/17/54/1033221754.db2.gz MCQVHALHTZEINR-UHFFFAOYSA-N -1 0 346.427 3.563 20 0 EHADRM CCCCn1ncc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1C ZINC000909523032 1024606057 /nfs/dbraw/zinc/60/60/57/1024606057.db2.gz LAMFINMIZDUHSF-CYBMUJFWSA-N -1 0 343.427 3.507 20 0 EHADRM C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)CC1(C(=O)[O-])CCC1 ZINC000262545879 1033227793 /nfs/dbraw/zinc/22/77/93/1033227793.db2.gz RZXLORALEPEEMU-SNVBAGLBSA-N -1 0 344.238 3.686 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccncc3)c(C)c2)o1 ZINC000427654965 1024696353 /nfs/dbraw/zinc/69/63/53/1024696353.db2.gz PWBIWEPNONROME-UHFFFAOYSA-N -1 0 328.393 3.759 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccccc2OCC(F)F)s1 ZINC000474301935 1024710524 /nfs/dbraw/zinc/71/05/24/1024710524.db2.gz FJIHASJAIHMRQR-UHFFFAOYSA-N -1 0 347.408 3.755 20 0 EHADRM COCc1cc(NC(=O)c2cc3cccc(C)c3o2)cc(C(=O)[O-])c1 ZINC000427668977 1024714436 /nfs/dbraw/zinc/71/44/36/1024714436.db2.gz UMORPSXDLQCUKL-UHFFFAOYSA-N -1 0 339.347 3.838 20 0 EHADRM COCc1cc(NC(=O)c2ccc(CSC)cc2)cc(C(=O)[O-])c1 ZINC000427683718 1024731733 /nfs/dbraw/zinc/73/17/33/1024731733.db2.gz XWFDFGZSMYLOFE-UHFFFAOYSA-N -1 0 345.420 3.647 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)CC1 ZINC000427701437 1024743035 /nfs/dbraw/zinc/74/30/35/1024743035.db2.gz KGKIHRBJBYDSKW-DSLXNQLJSA-N -1 0 343.467 3.776 20 0 EHADRM C[C@H](NC(=O)N([C@@H](C)C(=O)[O-])C1CCC1)c1cc2ccccc2o1 ZINC000684714092 1024895479 /nfs/dbraw/zinc/89/54/79/1024895479.db2.gz JIQPWNXIEVPMHO-RYUDHWBXSA-N -1 0 330.384 3.531 20 0 EHADRM CC(C)CCS(=O)(=O)[N-][C@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000508129171 1024921219 /nfs/dbraw/zinc/92/12/19/1024921219.db2.gz SJACPACNMSBAII-CQSZACIVSA-N -1 0 348.390 3.737 20 0 EHADRM CC(C)CCc1noc(CN2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])n1 ZINC000514952080 1024928391 /nfs/dbraw/zinc/92/83/91/1024928391.db2.gz SJJZWTGAGFTQFA-HOTGVXAUSA-N -1 0 349.475 3.514 20 0 EHADRM Cc1cc(Nc2ncc(Cl)nc2Br)cc(C(=O)[O-])c1 ZINC001211537655 1024939881 /nfs/dbraw/zinc/93/98/81/1024939881.db2.gz UKMFVCIFUYNMHC-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM CCCN(C(=O)N[C@@H](C)c1cc2ccccc2o1)[C@@H](CC)C(=O)[O-] ZINC000684717661 1024939904 /nfs/dbraw/zinc/93/99/04/1024939904.db2.gz YLHBZOYRSBFLJT-JSGCOSHPSA-N -1 0 332.400 3.779 20 0 EHADRM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)CC1(C(=O)[O-])CCC1 ZINC000262725049 1033247455 /nfs/dbraw/zinc/24/74/55/1033247455.db2.gz GHHYGNBEKCFGOY-LBPRGKRZSA-N -1 0 338.473 3.739 20 0 EHADRM Cc1cc(Nc2cccn3c(Br)cnc23)cc(C(=O)[O-])c1 ZINC001211537628 1024946744 /nfs/dbraw/zinc/94/67/44/1024946744.db2.gz SMFFNMMGQAVCPH-UHFFFAOYSA-N -1 0 346.184 3.847 20 0 EHADRM O=S(=O)([N-]c1cc(C2CCCCC2)[nH]n1)c1cccc(Cl)c1 ZINC000474429652 1024951287 /nfs/dbraw/zinc/95/12/87/1024951287.db2.gz GTPRWFUWKIEIMI-UHFFFAOYSA-N -1 0 339.848 3.912 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NCc1nc2cc(Cl)ccc2n1C ZINC000515006186 1024957589 /nfs/dbraw/zinc/95/75/89/1024957589.db2.gz YBNNTROAYJRHGM-UHFFFAOYSA-N -1 0 329.787 3.845 20 0 EHADRM CCN(C)[C@@H](C(=O)Nc1cc(F)cc(Cl)c1[O-])c1ccccc1 ZINC000474435851 1024966319 /nfs/dbraw/zinc/96/63/19/1024966319.db2.gz BVGXUDCESPLDGW-OAHLLOKOSA-N -1 0 336.794 3.816 20 0 EHADRM CC(C)COc1ccc(S(=O)(=O)[N-]c2noc3ccccc32)cc1 ZINC000508220174 1024970334 /nfs/dbraw/zinc/97/03/34/1024970334.db2.gz FRWANZRYJLRVFU-UHFFFAOYSA-N -1 0 346.408 3.663 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)c1cccc2cc(O)ccc21 ZINC000909467702 1024972294 /nfs/dbraw/zinc/97/22/94/1024972294.db2.gz QNSBJCACSRYRJN-UHFFFAOYSA-N -1 0 329.396 3.700 20 0 EHADRM CCc1ncc(C([O-])=C(C#N)C(=O)c2c(C)[nH]c3ccccc32)s1 ZINC000121750928 1024996278 /nfs/dbraw/zinc/99/62/78/1024996278.db2.gz BFQUMRYOVXWLFU-GFCCVEGCSA-N -1 0 337.404 3.701 20 0 EHADRM CCCCOc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1OC ZINC000013094603 1025012290 /nfs/dbraw/zinc/01/22/90/1025012290.db2.gz WSGOINCBQUVILU-UHFFFAOYSA-N -1 0 343.379 3.825 20 0 EHADRM COc1ccc([C@H](N=c2[n-]nc(C)o2)c2ccccc2Cl)cc1 ZINC000342363608 1025059983 /nfs/dbraw/zinc/05/99/83/1025059983.db2.gz SFYAQUYFJMZMPB-INIZCTEOSA-N -1 0 329.787 3.663 20 0 EHADRM CC(C)(C)c1ccccc1C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000327534070 1025071655 /nfs/dbraw/zinc/07/16/55/1025071655.db2.gz UBNNJQKGIGHACG-QGZVFWFLSA-N -1 0 337.419 3.808 20 0 EHADRM Cc1cc(C)cc([C@H](C)NC(=O)N(CC(=O)[O-])C2CCCCC2)c1 ZINC000684730470 1025077639 /nfs/dbraw/zinc/07/76/39/1025077639.db2.gz FMXOQHVDPPKRBS-HNNXBMFYSA-N -1 0 332.444 3.793 20 0 EHADRM CCC[C@@H](C(=O)Nc1cc(C(=O)OC)ccc1O)c1ccccc1 ZINC000505721367 1025204178 /nfs/dbraw/zinc/20/41/78/1025204178.db2.gz YZLFNVBIZBZTGQ-OAHLLOKOSA-N -1 0 327.380 3.701 20 0 EHADRM COCc1ccccc1S(=O)(=O)Nc1cc(Cl)cc(F)c1F ZINC000442239612 1025221905 /nfs/dbraw/zinc/22/19/05/1025221905.db2.gz ULPJSONNZBDIGX-UHFFFAOYSA-N -1 0 347.770 3.565 20 0 EHADRM O=C([O-])CN(C(=O)Nc1ccc(OCC2CC2)cc1)C1CCCCC1 ZINC000684747576 1025240143 /nfs/dbraw/zinc/24/01/43/1025240143.db2.gz BYBQXLKZDSSXDN-UHFFFAOYSA-N -1 0 346.427 3.727 20 0 EHADRM CC[C@H](c1n[n-]c(=NCc2ccc(OC)nc2)s1)c1ccccc1 ZINC000436022233 1025304092 /nfs/dbraw/zinc/30/40/92/1025304092.db2.gz LKVADMQRLIPUCN-HNNXBMFYSA-N -1 0 340.452 3.518 20 0 EHADRM CSc1cc(O)ccc1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000192155761 1025320011 /nfs/dbraw/zinc/32/00/11/1025320011.db2.gz KJMNXLWOWHAGKL-UHFFFAOYSA-N -1 0 347.820 3.707 20 0 EHADRM CCCn1ccc2ccc(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)cc21 ZINC000515553279 1025347161 /nfs/dbraw/zinc/34/71/61/1025347161.db2.gz HLYKNPMLQSLMNS-LRDDRELGSA-N -1 0 331.416 3.672 20 0 EHADRM O=C(C[C@@H]1CCc2sccc2C1=O)Nc1cccc(Cl)c1[O-] ZINC000896317794 1025349322 /nfs/dbraw/zinc/34/93/22/1025349322.db2.gz YRWAOLXWYKXUEZ-VIFPVBQESA-N -1 0 335.812 3.881 20 0 EHADRM CN(Cc1ccccc1)C(=O)N1CCC[C@@H]1c1ccc(C(=O)[O-])s1 ZINC000548685018 1025367435 /nfs/dbraw/zinc/36/74/35/1025367435.db2.gz ZJZNSFWISKZZEV-CQSZACIVSA-N -1 0 344.436 3.835 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000013439686 1025378420 /nfs/dbraw/zinc/37/84/20/1025378420.db2.gz ZYQDBBYWTAGQSL-UHFFFAOYSA-N -1 0 338.190 3.802 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc3ncccc3c2)c1 ZINC000342431210 1025406906 /nfs/dbraw/zinc/40/69/06/1025406906.db2.gz LEPOFMJSMVUBEB-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000684771773 1025416545 /nfs/dbraw/zinc/41/65/45/1025416545.db2.gz XZPRUVNSEJTDBV-JOCQHMNTSA-N -1 0 343.345 3.555 20 0 EHADRM Cc1nc(-c2ccc(N[C@H]3CCCc4cccnc43)nc2)[nH]c(=O)c1C ZINC000896419701 1025431077 /nfs/dbraw/zinc/43/10/77/1025431077.db2.gz OEUHPPDOAJTHAF-INIZCTEOSA-N -1 0 347.422 3.746 20 0 EHADRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C)cc2)c1C1CC1 ZINC000536499566 1025478959 /nfs/dbraw/zinc/47/89/59/1025478959.db2.gz YZLHFHILKDYMRG-CYBMUJFWSA-N -1 0 333.457 3.841 20 0 EHADRM CCCCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000515699428 1025506019 /nfs/dbraw/zinc/50/60/19/1025506019.db2.gz SSTBGIBCVIMUIN-UHFFFAOYSA-N -1 0 347.436 3.601 20 0 EHADRM O=S(=O)(C=Cc1ccc(F)cc1)[N-]c1cc(-c2cccs2)[nH]n1 ZINC000255495612 1025509358 /nfs/dbraw/zinc/50/93/58/1025509358.db2.gz MKBRLDCGSSNLAJ-CLFYSBASSA-N -1 0 349.412 3.690 20 0 EHADRM O=C(Cc1ccco1)Nc1cc(Cl)cc(Br)c1[O-] ZINC000340332620 1033288012 /nfs/dbraw/zinc/28/80/12/1033288012.db2.gz GDAIXPSNCFCWLX-UHFFFAOYSA-N -1 0 330.565 3.582 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc1F ZINC000442833624 1025525127 /nfs/dbraw/zinc/52/51/27/1025525127.db2.gz VHZAPMLSNYCAEG-UHFFFAOYSA-N -1 0 348.321 3.603 20 0 EHADRM C[C@@H](N=c1[n-]nc(C2CC2)o1)c1ccc(OCc2cccnc2)cc1 ZINC000582172537 1025525189 /nfs/dbraw/zinc/52/51/89/1025525189.db2.gz ASFRFPKPRXBETO-CYBMUJFWSA-N -1 0 336.395 3.516 20 0 EHADRM CC(F)(F)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000451086157 1025526088 /nfs/dbraw/zinc/52/60/88/1025526088.db2.gz MOTBCVMFUGMVMN-UHFFFAOYSA-N -1 0 339.363 3.629 20 0 EHADRM O=S(=O)([N-]c1ccc2ccoc2c1)c1c(F)cc(F)cc1F ZINC000442855667 1025552720 /nfs/dbraw/zinc/55/27/20/1025552720.db2.gz XUGFXMNLDQADTJ-UHFFFAOYSA-N -1 0 327.283 3.651 20 0 EHADRM C[C@H](CNC(=O)C[C@H](Cc1ccccc1)c1ccccc1)CC(=O)[O-] ZINC000262274444 1025557065 /nfs/dbraw/zinc/55/70/65/1025557065.db2.gz XGJMFYSOFIJIIM-LPHOPBHVSA-N -1 0 339.435 3.630 20 0 EHADRM Cc1cc(F)c(S(=O)(=O)[N-]c2scnc2C(C)C)cc1F ZINC000451103037 1025565879 /nfs/dbraw/zinc/56/58/79/1025565879.db2.gz MPFXFTZNMLROSV-UHFFFAOYSA-N -1 0 332.397 3.654 20 0 EHADRM C/C(=C/C(C)(C)C)C(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000588507449 1025594602 /nfs/dbraw/zinc/59/46/02/1025594602.db2.gz HLTPDCOCWJDJNW-KTKRTIGZSA-N -1 0 349.374 3.503 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1 ZINC000521719408 1025621332 /nfs/dbraw/zinc/62/13/32/1025621332.db2.gz HAMKTONBYGSOEE-YXNWKPIHSA-N -1 0 335.513 3.859 20 0 EHADRM CCSc1ccccc1C(=O)N=c1cc(-c2ccc(C)o2)[n-][nH]1 ZINC000521773439 1025653878 /nfs/dbraw/zinc/65/38/78/1025653878.db2.gz HSCPSXOBZKROBV-UHFFFAOYSA-N -1 0 327.409 3.764 20 0 EHADRM CC[C@H](Oc1ccccc1F)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000262396418 1025687625 /nfs/dbraw/zinc/68/76/25/1025687625.db2.gz NAOHZRPXPTVUEW-INIZCTEOSA-N -1 0 345.370 3.639 20 0 EHADRM FC(F)c1ccc(CN=c2[n-]nc(CCc3ccccc3)o2)cc1 ZINC000530369445 1025693011 /nfs/dbraw/zinc/69/30/11/1025693011.db2.gz JGPVCLOJJWFZTP-UHFFFAOYSA-N -1 0 329.350 3.826 20 0 EHADRM Cc1oc2ccccc2c1C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000909495899 1025724213 /nfs/dbraw/zinc/72/42/13/1025724213.db2.gz YJYDIZVNIUHNPA-CYBMUJFWSA-N -1 0 329.396 3.704 20 0 EHADRM CCCC[C@H](NC(=O)C1(c2ccc(C)c(OC)c2)CCCC1)C(=O)[O-] ZINC000347257619 1025748375 /nfs/dbraw/zinc/74/83/75/1025748375.db2.gz IGAUZJNVALSKLS-INIZCTEOSA-N -1 0 347.455 3.575 20 0 EHADRM CCCC[C@@H](NC(=O)CCOc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000347256908 1025749335 /nfs/dbraw/zinc/74/93/35/1025749335.db2.gz HHDYOLGCXITPJB-LLVKDONJSA-N -1 0 348.226 3.522 20 0 EHADRM Cc1ccc(F)c(NS(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])c1 ZINC000436478251 1025754190 /nfs/dbraw/zinc/75/41/90/1025754190.db2.gz LGUQJRDHRLHGDC-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM Cc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])cc1 ZINC000436476477 1025771593 /nfs/dbraw/zinc/77/15/93/1025771593.db2.gz FVTFRSDHPFZPJB-UHFFFAOYSA-N -1 0 331.315 3.520 20 0 EHADRM Cc1ccc(-c2ccnn2C)cc1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000436498202 1025784447 /nfs/dbraw/zinc/78/44/47/1025784447.db2.gz VKOWVBIQFGMKPJ-UHFFFAOYSA-N -1 0 343.333 3.632 20 0 EHADRM C[C@@H](NC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-])[C@H]1CCOC1 ZINC000436483750 1025786177 /nfs/dbraw/zinc/78/61/77/1025786177.db2.gz CNSQCYQVQMBZAW-OCCSQVGLSA-N -1 0 345.826 3.867 20 0 EHADRM Cc1ccc(F)cc1C(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000521935864 1025801068 /nfs/dbraw/zinc/80/10/68/1025801068.db2.gz IUZWPDILGXHPQR-UHFFFAOYSA-N -1 0 347.802 3.980 20 0 EHADRM O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)c1cc(F)c([O-])c(F)c1 ZINC000436521274 1025824456 /nfs/dbraw/zinc/82/44/56/1025824456.db2.gz CVSOFZZXVFSCFQ-ISVAXAHUSA-N -1 0 341.716 3.749 20 0 EHADRM Cc1cc(CN=c2[n-]nc(Cc3ccccc3F)o2)cc2cccnc12 ZINC000342492630 1025851266 /nfs/dbraw/zinc/85/12/66/1025851266.db2.gz DWCXHLZBAJSTCA-UHFFFAOYSA-N -1 0 348.381 3.690 20 0 EHADRM Fc1cccc(-c2ccc(CN=c3[n-]nc(C(F)(F)F)o3)o2)c1F ZINC000428333389 1025908529 /nfs/dbraw/zinc/90/85/29/1025908529.db2.gz VXMDRLRWDWFIIE-UHFFFAOYSA-N -1 0 345.227 3.661 20 0 EHADRM Cc1cnc([N-]S(=O)(=O)c2ccc(Oc3cccc(C)c3)cc2)o1 ZINC000443372475 1025962427 /nfs/dbraw/zinc/96/24/27/1025962427.db2.gz KBXJXIBMZSRSSJ-UHFFFAOYSA-N -1 0 344.392 3.885 20 0 EHADRM C[C@H](CNC(=O)c1ccc([O-])c(Cl)c1)Oc1ccc(Cl)cc1 ZINC000436639753 1025970228 /nfs/dbraw/zinc/97/02/28/1025970228.db2.gz RBDOTOMWZLQXIB-SNVBAGLBSA-N -1 0 340.206 3.896 20 0 EHADRM Cc1ccc(C(=O)NCc2c(C(=O)[O-])sc3ccsc32)c(O)c1 ZINC000436649430 1025975417 /nfs/dbraw/zinc/97/54/17/1025975417.db2.gz SDDVDVFTWANWAU-UHFFFAOYSA-N -1 0 347.417 3.605 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)c1 ZINC000436650289 1025978506 /nfs/dbraw/zinc/97/85/06/1025978506.db2.gz YSESMLVMTKJCRC-FZKQIMNGSA-N -1 0 333.428 3.765 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(C)n([C@H](C)C3CC3)n2)c1 ZINC000436651972 1025978828 /nfs/dbraw/zinc/97/88/28/1025978828.db2.gz JJJCJCZCZDMFOV-GFCCVEGCSA-N -1 0 341.411 3.713 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)COc2ccc(Cl)cc2)c1 ZINC000436652548 1025979431 /nfs/dbraw/zinc/97/94/31/1025979431.db2.gz OGTVYJORPCCAND-UHFFFAOYSA-N -1 0 333.771 3.656 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cnn(C(C)C)c2C2CC2)c1 ZINC000436652961 1025980400 /nfs/dbraw/zinc/98/04/00/1025980400.db2.gz RTDVMXFVZUDRBM-UHFFFAOYSA-N -1 0 341.411 3.892 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H](c2cccnc2)C(C)C)c1 ZINC000436653328 1025983075 /nfs/dbraw/zinc/98/30/75/1025983075.db2.gz UGROZZRKMWHRLN-SFHVURJKSA-N -1 0 326.396 3.758 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2nc(-c3ccccc3)cs2)c1 ZINC000436641155 1025987985 /nfs/dbraw/zinc/98/79/85/1025987985.db2.gz UDVHYUKOMBJTBL-UHFFFAOYSA-N -1 0 338.388 3.971 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CC2CC(OC(C)(C)C)C2)c1 ZINC000436644696 1025993665 /nfs/dbraw/zinc/99/36/65/1025993665.db2.gz KJKPZMWQJSIWRB-UHFFFAOYSA-N -1 0 333.428 3.907 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CCOCc2ccccc2)c1 ZINC000436645935 1025993864 /nfs/dbraw/zinc/99/38/64/1025993864.db2.gz FMNDAMZARTWBBH-UHFFFAOYSA-N -1 0 327.380 3.530 20 0 EHADRM Cc1cc(Nc2cnc(Cl)c(Br)n2)cc(C(=O)[O-])c1 ZINC001211543074 1025994446 /nfs/dbraw/zinc/99/44/46/1025994446.db2.gz WHUKXGATZZAVCK-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM C[C@H]1CN(C(=O)Cc2cccc(C(=O)[O-])c2)CC[C@@H]1c1ccccc1 ZINC000262175707 1026008171 /nfs/dbraw/zinc/00/81/71/1026008171.db2.gz LUVBAPZZAZPJRD-KXBFYZLASA-N -1 0 337.419 3.580 20 0 EHADRM CC(C)c1noc(=NCc2cccc(COCc3ccco3)c2)[n-]1 ZINC000522966406 1026011453 /nfs/dbraw/zinc/01/14/53/1026011453.db2.gz VFFSJUFJQHGTFD-UHFFFAOYSA-N -1 0 327.384 3.537 20 0 EHADRM CCC(CC)(NC(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000342515530 1026019149 /nfs/dbraw/zinc/01/91/49/1026019149.db2.gz ADUOTUZFCRASHT-CHWSQXEVSA-N -1 0 343.345 3.569 20 0 EHADRM COc1c(O)cccc1/C=C/c1nc(-c2ccccc2)ncc1C(=O)[O-] ZINC000443443921 1026041433 /nfs/dbraw/zinc/04/14/33/1026041433.db2.gz NWCKYHLJDCGPGJ-ZHACJKMWSA-N -1 0 348.358 3.726 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cccc3ccsc32)cc1F ZINC000443453807 1026058636 /nfs/dbraw/zinc/05/86/36/1026058636.db2.gz NCMXXFGFDPSJBD-UHFFFAOYSA-N -1 0 337.397 3.850 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)c2c(C)ccc(C)c2C(=O)[O-])c1 ZINC000634820180 1026062378 /nfs/dbraw/zinc/06/23/78/1026062378.db2.gz MWQUKBNRNFPZKH-ZDUSSCGKSA-N -1 0 327.380 3.961 20 0 EHADRM CC(C)c1ccccc1NC(=O)c1c[n-]n(-c2ccc(F)cc2)c1=O ZINC000121993215 1026070835 /nfs/dbraw/zinc/07/08/35/1026070835.db2.gz ARTCMFCPHVJMJU-INIZCTEOSA-N -1 0 339.370 3.536 20 0 EHADRM O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)c1cc(F)cc(Cl)c1[O-] ZINC000191972295 1026092525 /nfs/dbraw/zinc/09/25/25/1026092525.db2.gz RBZSHGRZSOMQRT-SJCJKPOMSA-N -1 0 349.789 3.692 20 0 EHADRM CCOc1cccc([C@@H]2C[C@@H]2NC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000436737896 1026104977 /nfs/dbraw/zinc/10/49/77/1026104977.db2.gz KINGUKSOSNDZQX-HOCLYGCPSA-N -1 0 331.799 3.730 20 0 EHADRM CC1(C)C[C@@H](NC(=O)c2cc(Cl)c3ccccc3c2[O-])CCO1 ZINC000436740732 1026109780 /nfs/dbraw/zinc/10/97/80/1026109780.db2.gz REAZGYTVPJWTIZ-NSHDSACASA-N -1 0 333.815 3.886 20 0 EHADRM CCOC1CC(N(C)C(=O)c2cc(Cl)c3ccccc3c2[O-])C1 ZINC000436741443 1026112879 /nfs/dbraw/zinc/11/28/79/1026112879.db2.gz VSRMKOPPQMWNJR-UHFFFAOYSA-N -1 0 333.815 3.838 20 0 EHADRM CC(=O)N(c1ccc(NC(=O)c2ccc([O-])c(Cl)c2)cc1)C1CC1 ZINC000436727909 1026117463 /nfs/dbraw/zinc/11/74/63/1026117463.db2.gz FFWBWOVTGCQKLE-UHFFFAOYSA-N -1 0 344.798 3.813 20 0 EHADRM Cn1cc(NC(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])cn1 ZINC000436763796 1026124787 /nfs/dbraw/zinc/12/47/87/1026124787.db2.gz ZVAPUEWMJBEALI-UHFFFAOYSA-N -1 0 327.771 3.698 20 0 EHADRM COc1cccc(CCC(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)c1 ZINC000324671609 1026125167 /nfs/dbraw/zinc/12/51/67/1026125167.db2.gz AWQDRGNIAVQZHY-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM COc1ccc(CNC(=O)c2c([O-])cc(Cl)cc2Cl)cc1F ZINC000436761268 1026132949 /nfs/dbraw/zinc/13/29/49/1026132949.db2.gz XJOYKFGJOQYFRD-UHFFFAOYSA-N -1 0 344.169 3.777 20 0 EHADRM O=C(NCc1csc(-c2ccccc2)n1)c1ccc(F)cc1[O-] ZINC000436754272 1026144862 /nfs/dbraw/zinc/14/48/62/1026144862.db2.gz GWAPKROHXDIUHG-UHFFFAOYSA-N -1 0 328.368 3.585 20 0 EHADRM Clc1cccc(OCCN=c2nc(C3CC3)[n-]s2)c1Cl ZINC000530693704 1026212543 /nfs/dbraw/zinc/21/25/43/1026212543.db2.gz VHUONHITPGZEQU-UHFFFAOYSA-N -1 0 330.240 3.635 20 0 EHADRM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000614732150 1026229937 /nfs/dbraw/zinc/22/99/37/1026229937.db2.gz FGPXLNWJDDDYOA-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM COc1ccc(C(C)=O)c(Nc2cc(C)cc(C(=O)[O-])c2)c1OC ZINC001211545130 1026254529 /nfs/dbraw/zinc/25/45/29/1026254529.db2.gz VGFRRGUWNKXKSA-UHFFFAOYSA-N -1 0 329.352 3.657 20 0 EHADRM Cc1ccc(CN=c2[n-]nc(C3CCOCC3)s2)c2ccccc12 ZINC000413489343 1026285296 /nfs/dbraw/zinc/28/52/96/1026285296.db2.gz GOVZGDBHCORQCE-UHFFFAOYSA-N -1 0 339.464 3.928 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(OCC(C)C)cc2)cc1C(=O)[O-] ZINC000324797312 1026324367 /nfs/dbraw/zinc/32/43/67/1026324367.db2.gz LXTURNUOCBTXJB-UHFFFAOYSA-N -1 0 327.380 3.980 20 0 EHADRM CC[C@](C)(NC(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C)C(=O)[O-] ZINC000262454942 1026342023 /nfs/dbraw/zinc/34/20/23/1026342023.db2.gz PWQSBCJMZUIPOK-XOBRGWDASA-N -1 0 342.439 3.697 20 0 EHADRM CCCN=c1[n-]nc(S[C@H](C)C(=O)C2(c3ccccc3)CC2)s1 ZINC000582479811 1026388600 /nfs/dbraw/zinc/38/86/00/1026388600.db2.gz TZKROZRSIKFPGJ-GFCCVEGCSA-N -1 0 347.509 3.563 20 0 EHADRM Cc1cnc(CNC(=O)c2cc(Cl)c3ccccc3c2[O-])s1 ZINC000530952908 1026442304 /nfs/dbraw/zinc/44/23/04/1026442304.db2.gz NRKZVNMSPMNKIF-UHFFFAOYSA-N -1 0 332.812 3.894 20 0 EHADRM CCC(C)(C)N(C)C(=O)N(CCCC(=O)[O-])Cc1ccc(F)cc1 ZINC000684895801 1026450647 /nfs/dbraw/zinc/45/06/47/1026450647.db2.gz IVZVXVDDCYKDMX-UHFFFAOYSA-N -1 0 338.423 3.733 20 0 EHADRM Cc1cc(C)c(OCC(=O)Nc2ccc(C)c(C(=O)[O-])c2)c(C)c1 ZINC000324919706 1026477487 /nfs/dbraw/zinc/47/74/87/1026477487.db2.gz KYJAUIAZIPYOKC-UHFFFAOYSA-N -1 0 327.380 3.636 20 0 EHADRM CC1(C)CN(C(=O)c2cc(Br)c(F)cc2[O-])[C@@H]1C1CC1 ZINC000452151642 1026501903 /nfs/dbraw/zinc/50/19/03/1026501903.db2.gz LNAQUTCSLNCLKL-CYBMUJFWSA-N -1 0 342.208 3.554 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000582536351 1026512699 /nfs/dbraw/zinc/51/26/99/1026512699.db2.gz XNSNFYYBRKYIKF-JTQLQIEISA-N -1 0 342.848 3.781 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)Cc1csc2ccc(Cl)cc12 ZINC000431438219 1026515975 /nfs/dbraw/zinc/51/59/75/1026515975.db2.gz IEQRBLPKGRARHG-UHFFFAOYSA-N -1 0 339.844 3.666 20 0 EHADRM CC(C)c1ccc(C(=O)NC[C@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000192881298 1026575766 /nfs/dbraw/zinc/57/57/66/1026575766.db2.gz PKWKNSHIJOWIFG-AWEZNQCLSA-N -1 0 331.437 3.545 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000325312964 1026623886 /nfs/dbraw/zinc/62/38/86/1026623886.db2.gz UEBHNUFHTBUBMY-YWZLYKJASA-N -1 0 325.408 3.605 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2cccc3ccccc32)cn1 ZINC000531211662 1026689895 /nfs/dbraw/zinc/68/98/95/1026689895.db2.gz CYDLQDANDTXQAY-UHFFFAOYSA-N -1 0 330.434 3.758 20 0 EHADRM CC[C@H]1CCCCCN1C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000531342076 1026829398 /nfs/dbraw/zinc/82/93/98/1026829398.db2.gz QCSIXVHXNKOBDY-AWEZNQCLSA-N -1 0 330.457 3.814 20 0 EHADRM CC(C)c1ccccc1OCC(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000531551936 1027019139 /nfs/dbraw/zinc/01/91/39/1027019139.db2.gz IMGYWTPFOFRWQE-UHFFFAOYSA-N -1 0 347.418 3.706 20 0 EHADRM CC(C)[C@H]1C[C@H](CNC(=O)c2c([O-])cc(Cl)cc2Cl)CCO1 ZINC000452840741 1027035484 /nfs/dbraw/zinc/03/54/84/1027035484.db2.gz PUVWJPAQEJCBIR-QMTHXVAHSA-N -1 0 346.254 3.880 20 0 EHADRM CCO[C@@H]1CCN(C(=O)c2ccc(Cl)c(Cl)c2[O-])C[C@H]1C ZINC000452826715 1027045263 /nfs/dbraw/zinc/04/52/63/1027045263.db2.gz LLQQERQIEVZXSH-BXKDBHETSA-N -1 0 332.227 3.586 20 0 EHADRM O=C(Nc1ccc(F)cn1)c1cc(Br)cc(Cl)c1[O-] ZINC000436489352 1027202381 /nfs/dbraw/zinc/20/23/81/1027202381.db2.gz NIXBPRGTXMDEKU-UHFFFAOYSA-N -1 0 345.555 3.595 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000075816168 1027228354 /nfs/dbraw/zinc/22/83/54/1027228354.db2.gz UBXISNDMIDQIAX-SFHVURJKSA-N -1 0 345.826 3.631 20 0 EHADRM Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000126941095 1027254597 /nfs/dbraw/zinc/25/45/97/1027254597.db2.gz PMSNWFOPXNQTBS-UHFFFAOYSA-N -1 0 346.330 3.680 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2C)s1 ZINC000261420320 1027371886 /nfs/dbraw/zinc/37/18/86/1027371886.db2.gz OHQXYQJKCKAAKY-UHFFFAOYSA-N -1 0 347.465 3.605 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000414446017 1027408735 /nfs/dbraw/zinc/40/87/35/1027408735.db2.gz ULZZBQVUONCIMJ-UHFFFAOYSA-N -1 0 345.877 3.598 20 0 EHADRM CCCc1nnc([N-]C(=O)c2cc(-c3ccc(C)cc3)no2)s1 ZINC000046659470 1027470700 /nfs/dbraw/zinc/47/07/00/1027470700.db2.gz RSXSTCOHZSGHCE-UHFFFAOYSA-N -1 0 328.397 3.706 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1c(C)ccnc1C ZINC000414453515 1027511426 /nfs/dbraw/zinc/51/14/26/1027511426.db2.gz PBZOQNVWDKTKAX-UHFFFAOYSA-N -1 0 344.358 3.826 20 0 EHADRM Cc1cc(C)c([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c(C)n1 ZINC000414459109 1027614038 /nfs/dbraw/zinc/61/40/38/1027614038.db2.gz OAYYQQASMTXLCK-UHFFFAOYSA-N -1 0 344.358 3.826 20 0 EHADRM CN(C(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C1CCC(C)(C)CC1 ZINC000153265219 1027621249 /nfs/dbraw/zinc/62/12/49/1027621249.db2.gz GYOWSBWVMANMCX-UHFFFAOYSA-N -1 0 345.418 3.758 20 0 EHADRM Cc1cc(C)c([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c(C)n1 ZINC000414461473 1027636725 /nfs/dbraw/zinc/63/67/25/1027636725.db2.gz RUFBFYGGCPOJKT-UHFFFAOYSA-N -1 0 344.358 3.826 20 0 EHADRM Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000342867225 1027738560 /nfs/dbraw/zinc/73/85/60/1027738560.db2.gz HENDOINRMKSDLH-UHFFFAOYSA-N -1 0 338.338 3.562 20 0 EHADRM CSc1ccc(C)c(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)c1 ZINC000237316541 1027869405 /nfs/dbraw/zinc/86/94/05/1027869405.db2.gz GDRZLFSQLGJAFM-KRWDZBQOSA-N -1 0 343.448 3.971 20 0 EHADRM C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)CC1(C(=O)[O-])CCC1 ZINC000262545871 1027874275 /nfs/dbraw/zinc/87/42/75/1027874275.db2.gz RZXLORALEPEEMU-JTQLQIEISA-N -1 0 344.238 3.686 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc2cc(F)ccc2s1 ZINC000261877979 1027897117 /nfs/dbraw/zinc/89/71/17/1027897117.db2.gz MBZPUHUGYNVTFV-GDLCADMTSA-N -1 0 347.411 3.898 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)NC2(c3ccccc3)CCC2)cc1C ZINC000132305196 1027907416 /nfs/dbraw/zinc/90/74/16/1027907416.db2.gz RNBSAMZOPQQVKB-XMMPIXPASA-N -1 0 341.476 3.607 20 0 EHADRM Cc1[nH]nc([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)c1C ZINC000533496958 1027958798 /nfs/dbraw/zinc/95/87/98/1027958798.db2.gz TUDGEIIIEKQMBX-UHFFFAOYSA-N -1 0 335.816 3.634 20 0 EHADRM COCCC1(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CCC1 ZINC000237168924 1028126561 /nfs/dbraw/zinc/12/65/61/1028126561.db2.gz GPYRQSWDDOZEMU-UHFFFAOYSA-N -1 0 333.409 3.745 20 0 EHADRM Cc1c2ccccc2oc1C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000261882708 1028177666 /nfs/dbraw/zinc/17/76/66/1028177666.db2.gz MTBGTJIJAYRXNM-YUELXQCFSA-N -1 0 327.380 3.599 20 0 EHADRM Cc1ncsc1NC(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000342927266 1028180811 /nfs/dbraw/zinc/18/08/11/1028180811.db2.gz KEBGXALZVVIJLF-UHFFFAOYSA-N -1 0 342.424 3.719 20 0 EHADRM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000532694116 1028208172 /nfs/dbraw/zinc/20/81/72/1028208172.db2.gz SKMRGYONWGHWQH-HOTGVXAUSA-N -1 0 346.471 3.778 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2ccccc2N2CCC(O)CC2)c1 ZINC001211965335 1028272441 /nfs/dbraw/zinc/27/24/41/1028272441.db2.gz ZRDFWWZQJSLNGZ-UHFFFAOYSA-N -1 0 346.814 3.743 20 0 EHADRM COCCOc1c(F)cccc1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211969415 1028430334 /nfs/dbraw/zinc/43/03/34/1028430334.db2.gz IDENPCWRHAHMDP-UHFFFAOYSA-N -1 0 339.750 3.946 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC000262212070 1028516068 /nfs/dbraw/zinc/51/60/68/1028516068.db2.gz PXWWONHWGMBNNJ-GOSISDBHSA-N -1 0 341.382 3.820 20 0 EHADRM CCCOc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)c1 ZINC000236873544 1028592382 /nfs/dbraw/zinc/59/23/82/1028592382.db2.gz NYUXMTLFPVPHQS-SFHVURJKSA-N -1 0 341.407 3.730 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000236882343 1028593257 /nfs/dbraw/zinc/59/32/57/1028593257.db2.gz IIHRUVSRWQDPOZ-CVEARBPZSA-N -1 0 347.455 3.825 20 0 EHADRM CC[C@H](C)c1cc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)on1 ZINC000236906963 1028604284 /nfs/dbraw/zinc/60/42/84/1028604284.db2.gz CNXRFVYEEYIXQK-LBPRGKRZSA-N -1 0 346.383 3.684 20 0 EHADRM [O-]c1ccc(-c2nc(-c3ccccc3-n3cccn3)no2)cc1Cl ZINC000445231248 1028623336 /nfs/dbraw/zinc/62/33/36/1028623336.db2.gz CUIWSZLXARJHDN-UHFFFAOYSA-N -1 0 338.754 3.948 20 0 EHADRM CC(C)c1ccc(OCC(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC000262218950 1028630612 /nfs/dbraw/zinc/63/06/12/1028630612.db2.gz MKLXQKDDRIRSFN-UHFFFAOYSA-N -1 0 341.407 3.845 20 0 EHADRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cccc2cccnc21 ZINC000074935605 1028638023 /nfs/dbraw/zinc/63/80/23/1028638023.db2.gz PSQGLFLJCHYGEQ-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM CSCc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)cc1 ZINC000237386836 1028649610 /nfs/dbraw/zinc/64/96/10/1028649610.db2.gz XVVKIFSARCUVCH-KRWDZBQOSA-N -1 0 343.448 3.804 20 0 EHADRM C[C@H](C(=O)N[C@H](CC(=O)[O-])c1ccccc1)c1cc2ccccc2o1 ZINC000237446176 1028650638 /nfs/dbraw/zinc/65/06/38/1028650638.db2.gz QWUZENXHHRLIAK-XJKSGUPXSA-N -1 0 337.375 3.869 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)CCCOc1ccc(C(C)(C)C)cc1 ZINC000237383561 1028651125 /nfs/dbraw/zinc/65/11/25/1028651125.db2.gz GMUAMOFAVJQOPH-CQSZACIVSA-N -1 0 335.444 3.513 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2CCOc3ccc(Cl)cc32)cc1C(=O)[O-] ZINC000431520717 1028665364 /nfs/dbraw/zinc/66/53/64/1028665364.db2.gz PWVQDMHSHRULOT-ZDUSSCGKSA-N -1 0 345.782 3.851 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2cc(Cl)cc3cccnc32)c1 ZINC000238155268 1028678411 /nfs/dbraw/zinc/67/84/11/1028678411.db2.gz XQAGIFVTVYWWQB-UHFFFAOYSA-N -1 0 344.729 3.978 20 0 EHADRM CC[C@@H](CNC(=O)N=c1nc(C(C)(C)C)[n-]s1)c1ccccc1 ZINC000523927688 1028720755 /nfs/dbraw/zinc/72/07/55/1028720755.db2.gz LGUOBHXMCWUEPN-LBPRGKRZSA-N -1 0 332.473 3.573 20 0 EHADRM O=S(=O)([N-]c1nc2ccsc2s1)c1ccc(Cl)s1 ZINC000524024517 1028774069 /nfs/dbraw/zinc/77/40/69/1028774069.db2.gz HCKZRQYDVBQNTJ-UHFFFAOYSA-N -1 0 336.872 3.874 20 0 EHADRM CC(C)Sc1ccc(Cl)cc1NC(=O)[C@@H](C)O[C@@H](C)C(=O)[O-] ZINC000421808160 1028792685 /nfs/dbraw/zinc/79/26/85/1028792685.db2.gz QTZLAVAUTWHCFY-ZJUUUORDSA-N -1 0 345.848 3.657 20 0 EHADRM Cc1cc(C)n([C@@H](C)Cc2nc(-c3ccc(O)cc3Cl)no2)n1 ZINC000445444783 1028800243 /nfs/dbraw/zinc/80/02/43/1028800243.db2.gz KDVHKDAASOLSLO-NSHDSACASA-N -1 0 332.791 3.713 20 0 EHADRM Oc1ccc(-c2noc(COC/C=C/c3ccccc3)n2)c(F)c1 ZINC000445462625 1028832714 /nfs/dbraw/zinc/83/27/14/1028832714.db2.gz LSCKMPIRHOGSDX-QPJJXVBHSA-N -1 0 326.327 3.811 20 0 EHADRM Cn1c(Nc2ccc(Cl)cc2S(=O)(=O)[O-])cc2ccccc21 ZINC001212049446 1028887369 /nfs/dbraw/zinc/88/73/69/1028887369.db2.gz SNCRQFINSNHDTE-UHFFFAOYSA-N -1 0 336.800 3.822 20 0 EHADRM Cc1ccc(C[C@@H](C)N(C)C(=O)N=c2[n-]nc(C(C)(C)C)s2)cc1 ZINC000524130819 1028911235 /nfs/dbraw/zinc/91/12/35/1028911235.db2.gz ZOGSVDWEZQFYEA-CYBMUJFWSA-N -1 0 346.500 3.661 20 0 EHADRM C[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)[C@H]1C(=O)[O-] ZINC000424260721 1028915897 /nfs/dbraw/zinc/91/58/97/1028915897.db2.gz PMDWQAPLNOQNHO-BDJLRTHQSA-N -1 0 347.798 3.925 20 0 EHADRM CC1(C)CN(C(=O)N=c2nc(-c3ccsc3)[n-]s2)[C@@H]2CCC[C@@H]21 ZINC000583127305 1028917684 /nfs/dbraw/zinc/91/76/84/1028917684.db2.gz ZRZGGBHIVOTQLT-NWDGAFQWSA-N -1 0 348.497 3.731 20 0 EHADRM COc1cccc(-c2nc(CN3CCC[C@@H](C)[C@@H]3C(=O)[O-])cs2)c1 ZINC000424274071 1028946935 /nfs/dbraw/zinc/94/69/35/1028946935.db2.gz VCKIFNSZMHAPDB-MLGOLLRUSA-N -1 0 346.452 3.504 20 0 EHADRM CC(C)CN(C)c1ccc(C(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000532876277 1028961473 /nfs/dbraw/zinc/96/14/73/1028961473.db2.gz SMCMYOBOTQLGRQ-UHFFFAOYSA-N -1 0 340.423 3.658 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N[C@@H](c2ccccc2)C2CC2)s1 ZINC000503053908 1029023894 /nfs/dbraw/zinc/02/38/94/1029023894.db2.gz QLJJNGHNNARZSK-HNNXBMFYSA-N -1 0 330.457 3.575 20 0 EHADRM CCC(CC)(CNC(=O)N[C@H](CC(F)F)c1ccccc1)C(=O)[O-] ZINC000424400151 1029051404 /nfs/dbraw/zinc/05/14/04/1029051404.db2.gz STBYJZXMOJHCCY-CYBMUJFWSA-N -1 0 342.386 3.573 20 0 EHADRM CCCCOc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000614888877 1029076727 /nfs/dbraw/zinc/07/67/27/1029076727.db2.gz QPQXFZOXZVVXIN-UHFFFAOYSA-N -1 0 341.379 3.945 20 0 EHADRM O=S(=O)([N-]c1nc2c(s1)CCCC2)c1cccc2ccccc21 ZINC000323256988 1029092076 /nfs/dbraw/zinc/09/20/76/1029092076.db2.gz FXFAIUMJLMFNBJ-UHFFFAOYSA-N -1 0 344.461 3.976 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(Cl)cc2C)n[nH]c1C(C)C ZINC000647279100 1029177419 /nfs/dbraw/zinc/17/74/19/1029177419.db2.gz MNSPAHVZFXKUMA-UHFFFAOYSA-N -1 0 327.837 3.604 20 0 EHADRM C[C@@H]1C[NH+]([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C[C@@H](C)S1 ZINC000583209868 1029246841 /nfs/dbraw/zinc/24/68/41/1029246841.db2.gz VMEUOMBIPIWATP-KKFJDGPESA-N -1 0 334.268 3.945 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@H]2SCCc3sccc32)c1 ZINC000272036428 1029284333 /nfs/dbraw/zinc/28/43/33/1029284333.db2.gz BWXVDLUDYFRDGT-HNNXBMFYSA-N -1 0 333.434 3.625 20 0 EHADRM CC(C)C1(C)CCN(C(=O)c2nn(-c3ccccc3F)cc2[O-])CC1 ZINC000428428267 1029347581 /nfs/dbraw/zinc/34/75/81/1029347581.db2.gz WCZNQKZVXAFNDS-UHFFFAOYSA-N -1 0 345.418 3.615 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)Nc1cc(C(C)=O)ccc1[O-] ZINC000272276373 1029392717 /nfs/dbraw/zinc/39/27/17/1029392717.db2.gz TWFQOLWAXBRAEU-GFCCVEGCSA-N -1 0 327.380 3.736 20 0 EHADRM CCc1oc(C(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)cc1C(=O)[O-] ZINC000261607105 1029460743 /nfs/dbraw/zinc/46/07/43/1029460743.db2.gz DSDKWQYYGLIGEZ-UKRRQHHQSA-N -1 0 341.407 3.806 20 0 EHADRM CC(C)Oc1cccc([C@@H](C)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000236768290 1029465895 /nfs/dbraw/zinc/46/58/95/1029465895.db2.gz MYDABLFMARAWCQ-XYPHTWIQSA-N -1 0 333.428 3.542 20 0 EHADRM CC(C)C1CCN(C(=O)c2cccc(Br)c2[O-])CC1 ZINC000524742067 1029478820 /nfs/dbraw/zinc/47/88/20/1029478820.db2.gz MEBNHOMITLRXRR-UHFFFAOYSA-N -1 0 326.234 3.663 20 0 EHADRM CC(C)(c1ccc(C(=O)N=c2ccc(C3CC3)n[n-]2)cc1)C(F)(F)F ZINC000434252215 1029531246 /nfs/dbraw/zinc/53/12/46/1029531246.db2.gz ZAJBNDFIIOISRD-UHFFFAOYSA-N -1 0 349.356 3.868 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000272671658 1029558899 /nfs/dbraw/zinc/55/88/99/1029558899.db2.gz KRHPZDQTFWJPDB-NEPJUHHUSA-N -1 0 329.318 3.902 20 0 EHADRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1OCC1CC1 ZINC000524853602 1029566751 /nfs/dbraw/zinc/56/67/51/1029566751.db2.gz XIPIXBUELCSRSH-UHFFFAOYSA-N -1 0 335.400 3.724 20 0 EHADRM CC1(C)CCCCN(C(=O)N=c2[n-]nc(/C=C\c3ccco3)s2)C1 ZINC000446330696 1029582692 /nfs/dbraw/zinc/58/26/92/1029582692.db2.gz KFOAYTRESXUAIV-FPLPWBNLSA-N -1 0 346.456 3.767 20 0 EHADRM CCc1ccccc1CNC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1 ZINC000583293614 1029583571 /nfs/dbraw/zinc/58/35/71/1029583571.db2.gz RTGMRZMKGHZTCG-HXUWFJFHSA-N -1 0 331.456 3.927 20 0 EHADRM O=C([O-])CC[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1F ZINC000050925025 1029612888 /nfs/dbraw/zinc/61/28/88/1029612888.db2.gz IEPCSXPLTDHWKO-CYBMUJFWSA-N -1 0 344.224 3.808 20 0 EHADRM CC[C@H]1CCCCN1C(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000262697272 1029625013 /nfs/dbraw/zinc/62/50/13/1029625013.db2.gz XXDZTWQVPKFZKC-ZDUSSCGKSA-N -1 0 340.217 3.552 20 0 EHADRM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000262833007 1029642082 /nfs/dbraw/zinc/64/20/82/1029642082.db2.gz BTJBBAQZGANKTF-XMTFNYHQSA-N -1 0 329.440 3.590 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cc(-c3cccc(Cl)c3)on2)CCCC1 ZINC000262838496 1029643114 /nfs/dbraw/zinc/64/31/14/1029643114.db2.gz GOJTZKIRHCUMHR-UHFFFAOYSA-N -1 0 348.786 3.512 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000262996610 1029655770 /nfs/dbraw/zinc/65/57/70/1029655770.db2.gz LXRMPIRSZITVPD-UHFFFAOYSA-N -1 0 341.382 3.619 20 0 EHADRM Cc1cc(Cl)cc(C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1 ZINC000263020792 1029657180 /nfs/dbraw/zinc/65/71/80/1029657180.db2.gz YAQTWQNLRVXXDX-SJORKVTESA-N -1 0 343.810 3.589 20 0 EHADRM CC1(C)CN(C(=O)CC2(C(=O)[O-])CCCCC2)CC[C@@H]1C(F)(F)F ZINC000634920439 1029657184 /nfs/dbraw/zinc/65/71/84/1029657184.db2.gz JUQVXYUUOLVBLF-LBPRGKRZSA-N -1 0 349.393 3.849 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2cccc(OC3CCCC3)c2)C1 ZINC000263029906 1029658358 /nfs/dbraw/zinc/65/83/58/1029658358.db2.gz BBUXTRNKDOPPGC-ZIAGYGMSSA-N -1 0 346.427 3.583 20 0 EHADRM CCc1ccc(-c2nc(CN([C@H](C)C(=O)[O-])C3CC3)cs2)cc1 ZINC000263083964 1029665033 /nfs/dbraw/zinc/66/50/33/1029665033.db2.gz IBXOYKFIWBPYFK-GFCCVEGCSA-N -1 0 330.453 3.810 20 0 EHADRM Cc1nc(C2CCCC2)sc1C(=O)N[C@](C)(CC(=O)[O-])C(C)C ZINC000263121254 1029666964 /nfs/dbraw/zinc/66/69/64/1029666964.db2.gz XCPMRJPWNGCCPS-QGZVFWFLSA-N -1 0 338.473 3.728 20 0 EHADRM CCC[C@@H](CNC(=O)c1c(C)c(C)oc1-c1ccccc1)C(=O)[O-] ZINC000263175364 1029671805 /nfs/dbraw/zinc/67/18/05/1029671805.db2.gz LBZMUUUYEDTGDH-HNNXBMFYSA-N -1 0 329.396 3.794 20 0 EHADRM COc1ccc(C[C@@H](C)C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)cc1 ZINC000263196582 1029673140 /nfs/dbraw/zinc/67/31/40/1029673140.db2.gz JGNGBOJWZBJHMK-ZIAGYGMSSA-N -1 0 341.407 3.701 20 0 EHADRM C[C@@H](CCC(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC000263221896 1029675359 /nfs/dbraw/zinc/67/53/59/1029675359.db2.gz ZAEGKEVRNAZPNV-QFBILLFUSA-N -1 0 339.435 3.630 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCCc1csc2ccccc12 ZINC000263252542 1029679411 /nfs/dbraw/zinc/67/94/11/1029679411.db2.gz SZCDPSFASNYXBP-KBPBESRZSA-N -1 0 345.464 3.936 20 0 EHADRM Cc1noc(C)c1[C@H](C)CC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000263292309 1029684837 /nfs/dbraw/zinc/68/48/37/1029684837.db2.gz MJWFPLPYFCQMPS-MNOVXSKESA-N -1 0 330.384 3.612 20 0 EHADRM C[C@@H]1CN(C(=O)Cc2ccc(C(=O)[O-])cc2)CC[C@H]1c1ccccc1 ZINC000263325209 1029689407 /nfs/dbraw/zinc/68/94/07/1029689407.db2.gz KDZZGRFFNVKQAE-DNVCBOLYSA-N -1 0 337.419 3.580 20 0 EHADRM Cc1nc(C(=O)N(Cc2ccccc2)CC(C)(C)C)ccc1C(=O)[O-] ZINC000263350143 1029690042 /nfs/dbraw/zinc/69/00/42/1029690042.db2.gz PEPSTZWAJSNTQW-UHFFFAOYSA-N -1 0 340.423 3.777 20 0 EHADRM Cc1ccc(C)c(OCCCCC(=O)N2CCC[C@](C)(C(=O)[O-])C2)c1 ZINC000263353220 1029690665 /nfs/dbraw/zinc/69/06/65/1029690665.db2.gz WEIRCIFEIRJJDK-FQEVSTJZSA-N -1 0 347.455 3.566 20 0 EHADRM Cc1nc(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)ccc1C(=O)[O-] ZINC000263370701 1029691746 /nfs/dbraw/zinc/69/17/46/1029691746.db2.gz XYUGPBGHFUPMDX-UHFFFAOYSA-N -1 0 344.798 3.546 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)CC1CC(c2ccccc2)C1)c1ccccc1 ZINC000263370703 1029692087 /nfs/dbraw/zinc/69/20/87/1029692087.db2.gz XYZUPOFCVLGCAX-PPSBMQLTSA-N -1 0 337.419 3.555 20 0 EHADRM C[C@@H](CC(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-])Cc1cccc(F)c1 ZINC000263407622 1029694750 /nfs/dbraw/zinc/69/47/50/1029694750.db2.gz GKPHRBCQLTYWOT-XYPHTWIQSA-N -1 0 335.419 3.544 20 0 EHADRM CC(C)C[C@](C)(CC(=O)[O-])C(=O)N1CC2CC1(c1ccccc1)C2 ZINC000634932735 1029722990 /nfs/dbraw/zinc/72/29/90/1029722990.db2.gz HYLDGJCPYBJLDA-KHPNHKCMSA-N -1 0 329.440 3.661 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-]c2nc3c(cccc3C)s2)cc1 ZINC000583404150 1029781132 /nfs/dbraw/zinc/78/11/32/1029781132.db2.gz HPOHYJMFESYHBH-UHFFFAOYSA-N -1 0 332.450 3.855 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)on1 ZINC000446828400 1029812285 /nfs/dbraw/zinc/81/22/85/1029812285.db2.gz UHWUZLAYLPYULL-UHFFFAOYSA-N -1 0 346.811 3.707 20 0 EHADRM C[C@@H](CC1CCCC1)C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000237486296 1029854315 /nfs/dbraw/zinc/85/43/15/1029854315.db2.gz PLCDDBJBOVYPNO-HNNXBMFYSA-N -1 0 347.455 3.763 20 0 EHADRM Cc1ccc(-c2n[n-]c(=NCc3ccc(OCC4CC4)cc3)o2)s1 ZINC000446968628 1029875477 /nfs/dbraw/zinc/87/54/77/1029875477.db2.gz ZAJVZMBZNFKBFF-UHFFFAOYSA-N -1 0 341.436 3.929 20 0 EHADRM O=S(=O)(Cc1ccccc1)[N-]c1ncc(Cc2ccccc2)s1 ZINC000170995709 1029974098 /nfs/dbraw/zinc/97/40/98/1029974098.db2.gz UUTZQCPKWQNJCL-UHFFFAOYSA-N -1 0 344.461 3.676 20 0 EHADRM O=c1nc(-c2cc(F)ccc2Br)[n-]c2ccsc21 ZINC000058477959 1030014082 /nfs/dbraw/zinc/01/40/82/1030014082.db2.gz LAKAKETWMABNRP-UHFFFAOYSA-N -1 0 325.162 3.553 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(C)c3ncccc23)c1 ZINC000481859210 1030043740 /nfs/dbraw/zinc/04/37/40/1030043740.db2.gz KZBVQUZZYQAXIL-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1 ZINC000120552145 1030044902 /nfs/dbraw/zinc/04/49/02/1030044902.db2.gz COXKGPTYDUUYCG-UHFFFAOYSA-N -1 0 337.344 3.576 20 0 EHADRM COc1cc(C)cc([N-]S(=O)(=O)c2cnc3ccsc3c2)c1C ZINC000447264469 1030054349 /nfs/dbraw/zinc/05/43/49/1030054349.db2.gz BMYZPJJOZZYZTO-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM O=S(=O)([N-]c1cccc(-c2cn[nH]c2)c1)c1ccccc1Cl ZINC000090166425 1030076749 /nfs/dbraw/zinc/07/67/49/1030076749.db2.gz DLVJPPJZCMJCDV-UHFFFAOYSA-N -1 0 333.800 3.531 20 0 EHADRM CCSCc1ccnc([N-]S(=O)(=O)c2ccc(C)cc2F)c1 ZINC000090367821 1030105172 /nfs/dbraw/zinc/10/51/72/1030105172.db2.gz XSZBFONCOJHVHC-UHFFFAOYSA-N -1 0 340.445 3.583 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nc3cc(F)c(C)cc3s2)s1 ZINC000481889176 1030107597 /nfs/dbraw/zinc/10/75/97/1030107597.db2.gz PFQQUAIUAYPVGL-UHFFFAOYSA-N -1 0 342.442 3.915 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N(C)[C@@H](C)C3(C)CC3)s2)c1 ZINC000481966365 1030145505 /nfs/dbraw/zinc/14/55/05/1030145505.db2.gz WNIPWOVGZJXKSE-ZDUSSCGKSA-N -1 0 344.484 3.896 20 0 EHADRM O=C(CCc1ccccc1F)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000042319083 1030154002 /nfs/dbraw/zinc/15/40/02/1030154002.db2.gz XVQVPQLJYLOAOS-OUKQBFOZSA-N -1 0 333.384 3.716 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccn2)ccc1OC(C)C ZINC000088330322 1030225079 /nfs/dbraw/zinc/22/50/79/1030225079.db2.gz PXQSMXSVAJDMOA-UHFFFAOYSA-N -1 0 340.832 3.631 20 0 EHADRM CC(C)[C@H](CC1CCCC1)C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000525964623 1030276720 /nfs/dbraw/zinc/27/67/20/1030276720.db2.gz NVZPDMALKMCLPE-INIZCTEOSA-N -1 0 343.427 3.821 20 0 EHADRM Cc1ccc([C@]2(C)CCN(C(=O)c3cc(F)c([O-])c(F)c3)C2)cc1 ZINC000447698844 1030429836 /nfs/dbraw/zinc/42/98/36/1030429836.db2.gz MPSWHYIXNVXDSJ-LJQANCHMSA-N -1 0 331.362 3.783 20 0 EHADRM C[C@@H]1CN(C(=O)C2(c3cccs3)CCCCC2)C[C@@]1(C)C(=O)[O-] ZINC000567968969 1030430301 /nfs/dbraw/zinc/43/03/01/1030430301.db2.gz HJBFGWDNGFSJMA-CXAGYDPISA-N -1 0 335.469 3.519 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)[C@@H](C)c3ccc(Cl)s3)[nH][n-]2)o1 ZINC000447803405 1030503835 /nfs/dbraw/zinc/50/38/35/1030503835.db2.gz SPIGVRZAWYDGPG-VIFPVBQESA-N -1 0 335.816 3.857 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)c3ccc(F)c(Cl)c3F)[nH][n-]2)o1 ZINC000447806360 1030508159 /nfs/dbraw/zinc/50/81/59/1030508159.db2.gz NDZJRUBLTSIDRJ-UHFFFAOYSA-N -1 0 337.713 3.584 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)c2ccc(Oc3ccccc3)o2)s[n-]1 ZINC000482542632 1030512623 /nfs/dbraw/zinc/51/26/23/1030512623.db2.gz YZXNVFPOTQJIOY-UHFFFAOYSA-N -1 0 343.408 3.895 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c(C)c1 ZINC000060443594 1030555157 /nfs/dbraw/zinc/55/51/57/1030555157.db2.gz SRXAZOARXAHLBU-UHFFFAOYSA-N -1 0 345.342 3.612 20 0 EHADRM N=c1[n-]nc(SCc2cc(Cl)ccc2OCC2CC2)s1 ZINC000526995734 1030556785 /nfs/dbraw/zinc/55/67/85/1030556785.db2.gz XKCPFPHHSLUXEU-UHFFFAOYSA-N -1 0 327.862 3.685 20 0 EHADRM Cn1ccc2cccc([N-]S(=O)(=O)c3cc4ccccc4o3)c21 ZINC000527065024 1030596959 /nfs/dbraw/zinc/59/69/59/1030596959.db2.gz IBEZKZWLDCEDFH-UHFFFAOYSA-N -1 0 326.377 3.725 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2cccc3ccn(C)c32)cc1C ZINC000527065053 1030599809 /nfs/dbraw/zinc/59/98/09/1030599809.db2.gz GCRNHOLLIGKPTR-UHFFFAOYSA-N -1 0 344.436 3.686 20 0 EHADRM Cc1cc(C)cc([C@H]2CCN(C(=O)C3CCC(C(=O)[O-])CC3)C2)c1 ZINC000194445284 1030610221 /nfs/dbraw/zinc/61/02/21/1030610221.db2.gz QPVXQIRBRYPLBG-JCYILVPMSA-N -1 0 329.440 3.510 20 0 EHADRM CSCc1cccc(CNC(=O)CC2(C(=O)[O-])CCCCC2)c1 ZINC000527072122 1030623723 /nfs/dbraw/zinc/62/37/23/1030623723.db2.gz HLPUJTXTRNNQFG-UHFFFAOYSA-N -1 0 335.469 3.591 20 0 EHADRM CCC(CC)CN(CC)C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000448008216 1030661771 /nfs/dbraw/zinc/66/17/71/1030661771.db2.gz FANNBAMULPUHRJ-UHFFFAOYSA-N -1 0 338.502 3.979 20 0 EHADRM O=C(c1nn(-c2ccccc2F)cc1[O-])N1CCCC2(CCCC2)C1 ZINC000527119319 1030667454 /nfs/dbraw/zinc/66/74/54/1030667454.db2.gz HAXRXAFKRATKSF-UHFFFAOYSA-N -1 0 343.402 3.513 20 0 EHADRM Cc1sccc1[N-]S(=O)(=O)c1cc(F)ccc1OC(C)C ZINC000901944249 1030736236 /nfs/dbraw/zinc/73/62/36/1030736236.db2.gz HOIKPDLPZANOFJ-UHFFFAOYSA-N -1 0 329.418 3.784 20 0 EHADRM CSc1nc(=NC(=O)N[C@H](C)c2cccc3ccccc32)s[n-]1 ZINC000476619082 1030750554 /nfs/dbraw/zinc/75/05/54/1030750554.db2.gz RWZHBEKBCVGTKM-SNVBAGLBSA-N -1 0 344.465 3.718 20 0 EHADRM CC[C@@H](NC(=O)N=c1ccc(C2CC2)n[n-]1)c1cccc(Cl)c1 ZINC000448154555 1030776517 /nfs/dbraw/zinc/77/65/17/1030776517.db2.gz ILPPYEFUCUDKNC-CQSZACIVSA-N -1 0 330.819 3.702 20 0 EHADRM CC[C@@H]1CCCN1C(=O)N=c1[n-]nc(-c2cc3ccccc3o2)s1 ZINC000527309704 1030784601 /nfs/dbraw/zinc/78/46/01/1030784601.db2.gz HUTJFBGAIMEVDD-GFCCVEGCSA-N -1 0 342.424 3.780 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])[C@@H]1CCCc2c(O)cccc21 ZINC000476702460 1030822588 /nfs/dbraw/zinc/82/25/88/1030822588.db2.gz VUXBCERKENHGOP-GFCCVEGCSA-N -1 0 335.762 3.949 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)C2(CC(C)C)CCCC2)c1 ZINC000758043484 1030828517 /nfs/dbraw/zinc/82/85/17/1030828517.db2.gz DSNARFCYMDFUSF-UHFFFAOYSA-N -1 0 341.448 3.546 20 0 EHADRM c1sc(C2CC2)nc1CN=c1[n-]nc(-c2ccc3c(c2)CCC3)o1 ZINC000550960701 1030834425 /nfs/dbraw/zinc/83/44/25/1030834425.db2.gz JUIZVRDBYPMHNY-UHFFFAOYSA-N -1 0 338.436 3.593 20 0 EHADRM COC(=O)c1cccc2c(Nc3ccc(C)c(C(=O)[O-])c3)ccnc12 ZINC001211599421 1030846112 /nfs/dbraw/zinc/84/61/12/1030846112.db2.gz KSDSIYJLOOEEMV-UHFFFAOYSA-N -1 0 336.347 3.772 20 0 EHADRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cn2)c1 ZINC000551020608 1030925004 /nfs/dbraw/zinc/92/50/04/1030925004.db2.gz PWIRCODXMJJQSJ-UHFFFAOYSA-N -1 0 328.796 3.627 20 0 EHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000262834747 1030929199 /nfs/dbraw/zinc/92/91/99/1030929199.db2.gz CNHAPOFERQNMRO-KOHJWAIASA-N -1 0 337.382 3.751 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)N[C@]3(C)CCCC[C@H]3C(=O)[O-])c2c1 ZINC000262844186 1030929958 /nfs/dbraw/zinc/92/99/58/1030929958.db2.gz SOEWNVQSOZXVAD-OXJNMPFZSA-N -1 0 342.439 3.559 20 0 EHADRM CC[C@H](NC(=O)N=c1ccc(-c2ccccc2)n[n-]1)c1cccs1 ZINC000448348569 1031001415 /nfs/dbraw/zinc/00/14/15/1031001415.db2.gz MILRCUHSRAUFSP-AWEZNQCLSA-N -1 0 338.436 3.900 20 0 EHADRM CCCc1n[n-]c(=NCc2cnc(-c3ccc(Cl)cc3)s2)o1 ZINC000551066834 1031004903 /nfs/dbraw/zinc/00/49/03/1031004903.db2.gz OSQPCJPQJNHCTI-UHFFFAOYSA-N -1 0 334.832 3.833 20 0 EHADRM Cc1ccc(Nc2ccccc2C(=O)NC(C)(C)C)cc1C(=O)[O-] ZINC001211601890 1031049241 /nfs/dbraw/zinc/04/92/41/1031049241.db2.gz QNJICYVMSWZXIK-UHFFFAOYSA-N -1 0 326.396 3.965 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)[N-]c2ncc(C(C)(C)C)s2)c1 ZINC000476941943 1031088425 /nfs/dbraw/zinc/08/84/25/1031088425.db2.gz QISKNGUZQJZQBL-UHFFFAOYSA-N -1 0 328.434 3.689 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)N[C@H](C)c1ccccc1C(F)(F)F ZINC000572601056 1031153896 /nfs/dbraw/zinc/15/38/96/1031153896.db2.gz ICCXHRAIXCANTP-GHMZBOCLSA-N -1 0 346.349 3.661 20 0 EHADRM COCc1n[n-]c(=N[C@H](c2ccccc2)c2cccc(Cl)c2)s1 ZINC000477015548 1031175947 /nfs/dbraw/zinc/17/59/47/1031175947.db2.gz HGFAFTVZYKASDH-MRXNPFEDSA-N -1 0 345.855 3.961 20 0 EHADRM Cc1cc(Br)cnc1N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000650775982 1031232812 /nfs/dbraw/zinc/23/28/12/1031232812.db2.gz JJFIMOCWQIWOMD-KBPBESRZSA-N -1 0 347.212 3.878 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N2CC[C@H](C)[C@H]2C)s1)c1ccccc1 ZINC000483655063 1031274945 /nfs/dbraw/zinc/27/49/45/1031274945.db2.gz CVUUBDNXVQSTIP-GZBFAFLISA-N -1 0 344.484 3.764 20 0 EHADRM CCc1n[n-]c(=NC(=O)N[C@H](C)c2cc(Cl)ccc2Cl)s1 ZINC000429203943 1031317993 /nfs/dbraw/zinc/31/79/93/1031317993.db2.gz NTQBNSOXRKOKSI-SSDOTTSWSA-N -1 0 345.255 3.712 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)Cc2cccc(C3CC3)c2)[C@@H]2CCCC[C@@H]12 ZINC000668295256 1031414680 /nfs/dbraw/zinc/41/46/80/1031414680.db2.gz NIEWIDZBLSPGSK-IPMKNSEASA-N -1 0 341.451 3.598 20 0 EHADRM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1cc(C(=O)[O-])oc1C ZINC000668298700 1031423071 /nfs/dbraw/zinc/42/30/71/1031423071.db2.gz IAUZIUDNEVYOLF-HNNXBMFYSA-N -1 0 331.368 3.518 20 0 EHADRM COc1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)c1O ZINC000484032174 1031429726 /nfs/dbraw/zinc/42/97/26/1031429726.db2.gz HJWJGXSIANWUDO-UHFFFAOYSA-N -1 0 341.454 3.561 20 0 EHADRM O=S(=O)([N-]c1cc(F)c(F)c(F)c1)c1ccc(Cl)s1 ZINC000130442838 1031433953 /nfs/dbraw/zinc/43/39/53/1031433953.db2.gz UDSNKHNPBAGUGH-UHFFFAOYSA-N -1 0 327.736 3.620 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1csc2ccccc12 ZINC000484146296 1031468882 /nfs/dbraw/zinc/46/88/82/1031468882.db2.gz USOPSQQCDCJATI-UHFFFAOYSA-N -1 0 325.436 3.772 20 0 EHADRM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccc(F)c(C)c1 ZINC000477360547 1031480404 /nfs/dbraw/zinc/48/04/04/1031480404.db2.gz OIYCYZDEHQREDH-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM C[C@@H]1CN(C)c2ccccc2N(C(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000194759362 1031486534 /nfs/dbraw/zinc/48/65/34/1031486534.db2.gz VLPZIIVOPZAJPH-LLVKDONJSA-N -1 0 348.805 3.917 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C3CCCCC3)nn2C)c1 ZINC000477381213 1031508446 /nfs/dbraw/zinc/50/84/46/1031508446.db2.gz LUGGKAFUYJAHJN-UHFFFAOYSA-N -1 0 347.484 3.885 20 0 EHADRM Cc1ccc(Nc2cc(N)ccc2OC(F)(F)F)cc1C(=O)[O-] ZINC001211608506 1031559446 /nfs/dbraw/zinc/55/94/46/1031559446.db2.gz XKRVLDJFIWZRIX-UHFFFAOYSA-N -1 0 326.274 3.918 20 0 EHADRM COc1cccc2c1CC[C@@H]2NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000194841684 1031559427 /nfs/dbraw/zinc/55/94/27/1031559427.db2.gz DQCUBDCCQPRSQM-AWEZNQCLSA-N -1 0 335.762 3.611 20 0 EHADRM [O-]c1c(Cl)cc(Cl)cc1-c1nc(CC2CCOCC2)no1 ZINC000904001012 1031587802 /nfs/dbraw/zinc/58/78/02/1031587802.db2.gz HMBASNLHDQLJIS-UHFFFAOYSA-N -1 0 329.183 3.718 20 0 EHADRM CC(C)c1c[nH]c(CN[C@]2(C(=O)[O-])C[C@H](C(C)C)c3ccccc32)n1 ZINC000904010922 1031627416 /nfs/dbraw/zinc/62/74/16/1031627416.db2.gz SUMJSTKWZRJSKD-FOIQADDNSA-N -1 0 341.455 3.746 20 0 EHADRM CC(C)Oc1c(NCc2nn(C)c3ccccc23)cccc1C(=O)[O-] ZINC000904010833 1031628931 /nfs/dbraw/zinc/62/89/31/1031628931.db2.gz PWJMQAWWMMTABS-UHFFFAOYSA-N -1 0 339.395 3.671 20 0 EHADRM O=C([O-])C[C@H](NCc1nccc2c1CCCC2)c1ccccc1Cl ZINC000904031439 1031640068 /nfs/dbraw/zinc/64/00/68/1031640068.db2.gz PFMIQMBTIXTPPM-KRWDZBQOSA-N -1 0 344.842 3.919 20 0 EHADRM CC(C)Cc1ccccc1CN=c1[n-]nc(C2CCOCC2)s1 ZINC000528065440 1031645707 /nfs/dbraw/zinc/64/57/07/1031645707.db2.gz BDPAEIMHRCWRCT-UHFFFAOYSA-N -1 0 331.485 3.665 20 0 EHADRM CC(C)(C)c1nc(CN[C@H](CC(=O)[O-])c2ccccc2F)cs1 ZINC000904045606 1031663236 /nfs/dbraw/zinc/66/32/36/1031663236.db2.gz KADAVQCNWDQEDR-CQSZACIVSA-N -1 0 336.432 3.885 20 0 EHADRM CC(C)(C)c1nc(CN[C@@H](CC(=O)[O-])c2ccccc2F)cs1 ZINC000904045605 1031665434 /nfs/dbraw/zinc/66/54/34/1031665434.db2.gz KADAVQCNWDQEDR-AWEZNQCLSA-N -1 0 336.432 3.885 20 0 EHADRM O=c1[n-]c(SCc2ccc(OCc3ccc(F)cc3)cc2)n[nH]1 ZINC000484564853 1031741720 /nfs/dbraw/zinc/74/17/20/1031741720.db2.gz KAYHKLHZRNAWKG-UHFFFAOYSA-N -1 0 331.372 3.521 20 0 EHADRM Cc1cccc(S([O-])=CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000134040066 1031787091 /nfs/dbraw/zinc/78/70/91/1031787091.db2.gz LCIZLCYLTXHJEX-PSLXWICFSA-N -1 0 349.883 3.976 20 0 EHADRM CCS[C@@H]1CCCC[C@@H]1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000180130468 1031804327 /nfs/dbraw/zinc/80/43/27/1031804327.db2.gz JEAMWSWGXTYVIW-WDEREUQCSA-N -1 0 333.375 3.604 20 0 EHADRM Cc1ccccc1[C@@H]1CN(C(=O)c2cc(F)c([O-])c(F)c2)[C@H](C)CO1 ZINC000180075459 1031837567 /nfs/dbraw/zinc/83/75/67/1031837567.db2.gz LHLDEBGLXBMCKI-PXAZEXFGSA-N -1 0 347.361 3.581 20 0 EHADRM O=C([O-])N[C@@H]1C[C@H](Nc2ccc(OC(F)(F)F)cc2)C12CCC2 ZINC000904194459 1031841179 /nfs/dbraw/zinc/84/11/79/1031841179.db2.gz HECUCCQLOBEQPF-NWDGAFQWSA-N -1 0 330.306 3.576 20 0 EHADRM CC(C)CC(=O)Nc1ccc(N[C@H]2C[C@H](NC(=O)[O-])C23CCC3)cc1 ZINC000904194624 1031841956 /nfs/dbraw/zinc/84/19/56/1031841956.db2.gz IOCASDWMEZXOCF-HOTGVXAUSA-N -1 0 345.443 3.662 20 0 EHADRM O=C([O-])N[C@H]1C[C@@H](Nc2ccccc2N2CCCCC2)C12CCC2 ZINC000904199245 1031844701 /nfs/dbraw/zinc/84/47/01/1031844701.db2.gz NPVHWQJDNXSJDB-SJORKVTESA-N -1 0 329.444 3.668 20 0 EHADRM Cc1ccc(N[C@H]2C[C@H](NC(=O)[O-])C23CCC3)cc1OCC(F)F ZINC000904199140 1031845905 /nfs/dbraw/zinc/84/59/05/1031845905.db2.gz GXAPWAOXQLSFCB-KBPBESRZSA-N -1 0 340.370 3.630 20 0 EHADRM Cc1ccnc(C)c1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000460550322 1031846861 /nfs/dbraw/zinc/84/68/61/1031846861.db2.gz KHWLWOCVCSIICP-UHFFFAOYSA-N -1 0 349.214 3.945 20 0 EHADRM COc1c(Cl)cc(N[C@@H]2C[C@H](NC(=O)[O-])C23CCC3)cc1Cl ZINC000904200057 1031847711 /nfs/dbraw/zinc/84/77/11/1031847711.db2.gz PWJRRQHQAQVTBX-NEPJUHHUSA-N -1 0 345.226 3.993 20 0 EHADRM Cc1ccnc(C)c1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000460557151 1031860396 /nfs/dbraw/zinc/86/03/96/1031860396.db2.gz NGHDUVLYMAZDSE-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM CC(C)c1n[n-]c(=N[C@H]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)o1 ZINC000584169548 1031861283 /nfs/dbraw/zinc/86/12/83/1031861283.db2.gz CYDVUFKNAPCBDF-OLZOCXBDSA-N -1 0 325.416 3.630 20 0 EHADRM Cc1nc(Cl)ccc1NCc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904237074 1031886057 /nfs/dbraw/zinc/88/60/57/1031886057.db2.gz XTFUHQAQXFUDRM-UHFFFAOYSA-N -1 0 349.818 3.550 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2cc(C)n(-c3ccccc3)n2)c1 ZINC000537837116 1031953028 /nfs/dbraw/zinc/95/30/28/1031953028.db2.gz PFLOASVGFZJQIG-UHFFFAOYSA-N -1 0 341.436 3.544 20 0 EHADRM CC(C)c1ccc(C(=O)N(C)[C@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000448993564 1032001203 /nfs/dbraw/zinc/00/12/03/1032001203.db2.gz NDHUUHWKBQPCAD-CQSZACIVSA-N -1 0 331.437 3.639 20 0 EHADRM COCc1nc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cs1 ZINC000159319421 1032012428 /nfs/dbraw/zinc/01/24/28/1032012428.db2.gz FVAYRYYQVALLPH-UHFFFAOYSA-N -1 0 333.196 3.554 20 0 EHADRM CC(C)SCC(=O)N1CCC([C@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000598661750 1033361751 /nfs/dbraw/zinc/36/17/51/1033361751.db2.gz MJWOWIOQELBRLE-QGZVFWFLSA-N -1 0 349.496 3.625 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(Cl)cc2F)cc1C ZINC000059250671 1033513287 /nfs/dbraw/zinc/51/32/87/1033513287.db2.gz XPTXAPHPLFTLPN-UHFFFAOYSA-N -1 0 341.791 3.789 20 0 EHADRM Cc1cc(C)cc(NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)c1 ZINC000046660457 1033556648 /nfs/dbraw/zinc/55/66/48/1033556648.db2.gz WQIDSZHSSNXPCP-UHFFFAOYSA-N -1 0 325.393 3.867 20 0 EHADRM Clc1cccc(-c2noc(=NC[C@@H]3OCCc4ccccc43)[n-]2)c1 ZINC000603397658 1033586047 /nfs/dbraw/zinc/58/60/47/1033586047.db2.gz JWIXEIVFLNBDBL-INIZCTEOSA-N -1 0 341.798 3.538 20 0 EHADRM C[C@@H]1C[C@@H]1[C@@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000608340529 1033644171 /nfs/dbraw/zinc/64/41/71/1033644171.db2.gz NLABMLSVZZJCLP-AXMLXZGRSA-N -1 0 347.842 3.820 20 0 EHADRM CC(C)Oc1ncccc1NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000174001258 1033648961 /nfs/dbraw/zinc/64/89/61/1033648961.db2.gz UMVLOOCXWCBKFS-UHFFFAOYSA-N -1 0 329.381 3.551 20 0 EHADRM CC[C@@H]1C[C@H](C)CN1C(=O)c1cc(Br)c(F)cc1[O-] ZINC000450059655 1033649777 /nfs/dbraw/zinc/64/97/77/1033649777.db2.gz KPZAUABWHJXOGL-DTWKUNHWSA-N -1 0 330.197 3.554 20 0 EHADRM O=C([O-])[C@@H]1CCCCCN1C(=O)Nc1cc(Cl)ccc1Cl ZINC000080988931 1033692606 /nfs/dbraw/zinc/69/26/06/1033692606.db2.gz SICJXXGLJPVLHO-LBPRGKRZSA-N -1 0 331.199 3.855 20 0 EHADRM O=S(=O)([N-][C@@H]1CCC[C@@H]1F)c1c(Cl)cc(Cl)cc1Cl ZINC000574973540 1033746557 /nfs/dbraw/zinc/74/65/57/1033746557.db2.gz ZAJILZWVQAWRRX-VHSXEESVSA-N -1 0 346.638 3.816 20 0 EHADRM Cc1cc(C)cc(NC(=O)N=c2[n-]nc(Cc3ccccc3)s2)c1 ZINC000603559904 1033766739 /nfs/dbraw/zinc/76/67/39/1033766739.db2.gz JKFDVAFFYPXDIZ-UHFFFAOYSA-N -1 0 338.436 3.812 20 0 EHADRM C[C@@H]1CCN(c2ccc3cc(Br)ccc3n2)C[C@H]1C(=O)[O-] ZINC000575059324 1033771487 /nfs/dbraw/zinc/77/14/87/1033771487.db2.gz QELWNYFIGMPPBX-ZWNOBZJWSA-N -1 0 349.228 3.544 20 0 EHADRM CCCc1nc(=NC(=O)N(C)[C@@H](C)c2ccccc2Cl)s[n-]1 ZINC000550666809 1033847253 /nfs/dbraw/zinc/84/72/53/1033847253.db2.gz NTGGKNYPGNQGAZ-JTQLQIEISA-N -1 0 338.864 3.791 20 0 EHADRM CCC(CC)(CNC(=O)[C@H](C)Cc1cccc(Cl)c1)C(=O)[O-] ZINC000262656805 1033865722 /nfs/dbraw/zinc/86/57/22/1033865722.db2.gz ACDMPJWNTSASAP-GFCCVEGCSA-N -1 0 325.836 3.526 20 0 EHADRM Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)C(C)(C)C(=O)[O-] ZINC000575184012 1033881450 /nfs/dbraw/zinc/88/14/50/1033881450.db2.gz ACGXUKOONAGVAK-UHFFFAOYSA-N -1 0 345.370 3.762 20 0 EHADRM Cc1nn(C)c(C)c1N=c1[n-]nc(-c2c[nH]c3ccccc23)n1C(C)C ZINC000575217090 1033894097 /nfs/dbraw/zinc/89/40/97/1033894097.db2.gz GRPXJWJONDAXPA-UHFFFAOYSA-N -1 0 349.442 3.523 20 0 EHADRM Cc1cccc(Oc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c1 ZINC000612052506 1033961553 /nfs/dbraw/zinc/96/15/53/1033961553.db2.gz AMLZJXAYIABSAP-UHFFFAOYSA-N -1 0 340.404 3.983 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000596002976 1034044092 /nfs/dbraw/zinc/04/40/92/1034044092.db2.gz NCRXRROXBPAQOA-ZDUSSCGKSA-N -1 0 347.436 3.527 20 0 EHADRM CN(Cc1ccc(Br)s1)C(=O)c1c([O-])cccc1F ZINC000119119312 1034087851 /nfs/dbraw/zinc/08/78/51/1034087851.db2.gz KQVWSAAWHBHPCW-UHFFFAOYSA-N -1 0 344.205 3.628 20 0 EHADRM C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000119163064 1034090911 /nfs/dbraw/zinc/09/09/11/1034090911.db2.gz SRUDRPOAMIWRJS-HWPZZCPQSA-N -1 0 349.789 3.649 20 0 EHADRM CCN(Cc1ccc(Cl)s1)Cc1c([O-])nnn1-c1ccccc1 ZINC000057085316 1034093542 /nfs/dbraw/zinc/09/35/42/1034093542.db2.gz GDTNHLYJFQFAOT-UHFFFAOYSA-N -1 0 348.859 3.710 20 0 EHADRM Nc1ccc(-c2ccc(OC[C@@H]3CCCCO3)cc2)cc1C(=O)[O-] ZINC000514679099 1034095576 /nfs/dbraw/zinc/09/55/76/1034095576.db2.gz WTHJCSCAFPBULZ-INIZCTEOSA-N -1 0 327.380 3.582 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)C1(c2ccc(F)cc2F)CCCC1 ZINC000534092124 1034121613 /nfs/dbraw/zinc/12/16/13/1034121613.db2.gz LVIWACJYCFSNPV-UHFFFAOYSA-N -1 0 343.377 3.505 20 0 EHADRM O=C(c1c([O-])cccc1F)N(Cc1ccco1)Cc1ccccc1 ZINC000119423211 1034166470 /nfs/dbraw/zinc/16/64/70/1034166470.db2.gz YCVPYDBDOXOGKN-UHFFFAOYSA-N -1 0 325.339 3.967 20 0 EHADRM C[C@@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000534206747 1034234244 /nfs/dbraw/zinc/23/42/44/1034234244.db2.gz JCBOXOWCGJSLBM-ZDUSSCGKSA-N -1 0 347.484 3.952 20 0 EHADRM Cc1nc2ccc(C(=O)Nc3cccc(Cl)c3[O-])cc2nc1C ZINC000604266793 1034310269 /nfs/dbraw/zinc/31/02/69/1034310269.db2.gz VRKFFUHVAHEQFU-UHFFFAOYSA-N -1 0 327.771 3.858 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC000450515900 1034453885 /nfs/dbraw/zinc/45/38/85/1034453885.db2.gz JOPCIQIRKXMFKW-INIZCTEOSA-N -1 0 329.396 3.618 20 0 EHADRM CC1(c2nc(=NC(=O)c3cc4cc(Cl)ccc4o3)s[n-]2)CC1 ZINC000529704044 1034454781 /nfs/dbraw/zinc/45/47/81/1034454781.db2.gz WVUNTQDPJXODQY-UHFFFAOYSA-N -1 0 333.800 3.663 20 0 EHADRM CC(C)c1n[n-]c(=NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)o1 ZINC000450518916 1034457196 /nfs/dbraw/zinc/45/71/96/1034457196.db2.gz KLFPKQSFBILQNS-OAHLLOKOSA-N -1 0 335.835 3.848 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)N[C@@H]2CCC[C@H]2c2ccccc2)s[n-]1 ZINC000604800628 1034508464 /nfs/dbraw/zinc/50/84/64/1034508464.db2.gz AFIYKVZMENRFHI-UONOGXRCSA-N -1 0 344.484 3.715 20 0 EHADRM CC(C)c1ccc(CNC(=O)N=c2nc(C(C)(C)C)[n-]s2)cc1 ZINC000604800701 1034508917 /nfs/dbraw/zinc/50/89/17/1034508917.db2.gz GLZCIDSTAVUFIZ-UHFFFAOYSA-N -1 0 332.473 3.703 20 0 EHADRM Cc1ccc([C@H](NC(=O)N=c2nc(C(C)(C)C)[n-]s2)C2CC2)cc1 ZINC000604800286 1034509253 /nfs/dbraw/zinc/50/92/53/1034509253.db2.gz KVQQPAYWHIMPLJ-AWEZNQCLSA-N -1 0 344.484 3.839 20 0 EHADRM C[C@@H](N=c1[n-]nc(C2CCOCC2)s1)c1cccc(C2CC2)c1 ZINC000450554008 1034516659 /nfs/dbraw/zinc/51/66/59/1034516659.db2.gz JXIPDOHUCYIICY-GFCCVEGCSA-N -1 0 329.469 3.905 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)nc1 ZINC000604839395 1034522387 /nfs/dbraw/zinc/52/23/87/1034522387.db2.gz ZIQIJUYDYZSDII-UHFFFAOYSA-N -1 0 336.482 3.803 20 0 EHADRM O=S(=O)([N-]c1ccc2ccccc2n1)c1ccc(F)cc1Cl ZINC000604837499 1034522646 /nfs/dbraw/zinc/52/26/46/1034522646.db2.gz JPVUCBAZEORSHM-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM O=C(N[C@H](c1ccccn1)C1CCC1)c1cc(F)c([O-])c(Cl)c1 ZINC000529832789 1034617077 /nfs/dbraw/zinc/61/70/77/1034617077.db2.gz XGFORRHVDQBMNB-HNNXBMFYSA-N -1 0 334.778 3.851 20 0 EHADRM O=C(c1c([O-])cc(Cl)cc1Cl)N1CC(Cc2ccco2)C1 ZINC000529862089 1034681991 /nfs/dbraw/zinc/68/19/91/1034681991.db2.gz LMXCUIFGJVEPBM-UHFFFAOYSA-N -1 0 326.179 3.607 20 0 EHADRM CCC[C@@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])C1 ZINC000612295972 1034735545 /nfs/dbraw/zinc/73/55/45/1034735545.db2.gz VOPVQMMOBURDNR-GFCCVEGCSA-N -1 0 349.381 3.508 20 0 EHADRM O=C(c1ccc(F)cc1[O-])N1CCC[C@@]2(CCc3ccccc3O2)C1 ZINC000529904208 1034736322 /nfs/dbraw/zinc/73/63/22/1034736322.db2.gz BGFJKHURNXCZGY-HXUWFJFHSA-N -1 0 341.382 3.531 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)(C)C)c1 ZINC000597480134 1034764511 /nfs/dbraw/zinc/76/45/11/1034764511.db2.gz LUCSNVVWEJEWBF-HNNXBMFYSA-N -1 0 349.427 3.537 20 0 EHADRM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc(F)cc1OC ZINC000605496776 1034769138 /nfs/dbraw/zinc/76/91/38/1034769138.db2.gz UHKNLNCFZZQYKT-UHFFFAOYSA-N -1 0 337.416 3.760 20 0 EHADRM CC(F)(F)CCSc1n[n-]c(=NCCc2cccs2)s1 ZINC000450755208 1034776473 /nfs/dbraw/zinc/77/64/73/1034776473.db2.gz KMFRJUSIRZFOOW-UHFFFAOYSA-N -1 0 335.470 3.814 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2n[nH]c(C)c2-c2ccccc2)s1 ZINC000534681030 1034791691 /nfs/dbraw/zinc/79/16/91/1034791691.db2.gz GSQQPJTXCMOMDV-UHFFFAOYSA-N -1 0 333.438 3.556 20 0 EHADRM COCC[C@H](N=c1[n-]nc(C(C)C)o1)c1cccc(C(F)(F)F)c1 ZINC000450810351 1034822038 /nfs/dbraw/zinc/82/20/38/1034822038.db2.gz YAIJGJPYMBVPGY-ZDUSSCGKSA-N -1 0 343.349 3.823 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000605888081 1034839161 /nfs/dbraw/zinc/83/91/61/1034839161.db2.gz IVQRFHQYYGIMPL-UHFFFAOYSA-N -1 0 331.734 3.827 20 0 EHADRM CC[C@H](c1n[n-]c(=NC(=O)N[C@H]2CC=CCC2)s1)c1ccccc1 ZINC000605924890 1034847691 /nfs/dbraw/zinc/84/76/91/1034847691.db2.gz UDVOUUVLSASENO-GJZGRUSLSA-N -1 0 342.468 3.732 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000601985996 1034848952 /nfs/dbraw/zinc/84/89/52/1034848952.db2.gz OMZKOJKPKMQJDX-ZDUSSCGKSA-N -1 0 343.477 3.896 20 0 EHADRM Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cccc(F)c1O ZINC000530006553 1034850745 /nfs/dbraw/zinc/85/07/45/1034850745.db2.gz QIONHWSPNUUNIF-UHFFFAOYSA-N -1 0 333.407 3.572 20 0 EHADRM CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)C1(C(C)C)CC1 ZINC000629297281 1034895767 /nfs/dbraw/zinc/89/57/67/1034895767.db2.gz DMEOZJMNBJYJAJ-UHFFFAOYSA-N -1 0 339.457 3.510 20 0 EHADRM C[C@H](Cc1ccc(-c2cccc(CO[C@H]3CCOC3)c2)cc1)C(=O)[O-] ZINC000569942786 1034906357 /nfs/dbraw/zinc/90/63/57/1034906357.db2.gz XGGQAUZPWDWFLL-QRWLVFNGSA-N -1 0 340.419 3.922 20 0 EHADRM CCCCc1nnc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)s1 ZINC000450977308 1034976206 /nfs/dbraw/zinc/97/62/06/1034976206.db2.gz VFTYXTBQLKVNLM-UHFFFAOYSA-N -1 0 337.470 3.559 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)Nc2cccc(C3CCOCC3)c2)c1 ZINC000530145771 1035004738 /nfs/dbraw/zinc/00/47/38/1035004738.db2.gz ZYXVEIRLRQAIKQ-UHFFFAOYSA-N -1 0 349.427 3.829 20 0 EHADRM CC(C)c1nnc([N-]S(=O)(=O)Cc2ccc(C(F)F)cc2)s1 ZINC000450977645 1035009578 /nfs/dbraw/zinc/00/95/78/1035009578.db2.gz WIPAJPXNZRLGFL-UHFFFAOYSA-N -1 0 347.412 3.541 20 0 EHADRM Cc1cc(NC(=O)c2ccccc2OC(F)(F)F)ccc1C(=O)[O-] ZINC000431659401 1035029141 /nfs/dbraw/zinc/02/91/41/1035029141.db2.gz FMAIVFIVGIYMSI-UHFFFAOYSA-N -1 0 339.269 3.844 20 0 EHADRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2sccc2Cl)c1C ZINC000451035717 1035037617 /nfs/dbraw/zinc/03/76/17/1035037617.db2.gz CCNNQMCRDUWQRY-QMMMGPOBSA-N -1 0 333.866 3.678 20 0 EHADRM COc1ccc(Cl)cc1/C=C/c1ncc([N+](=O)[O-])cc1C(=O)[O-] ZINC000053106294 1035079156 /nfs/dbraw/zinc/07/91/56/1035079156.db2.gz NOEILTKBXJAVAA-DUXPYHPUSA-N -1 0 334.715 3.520 20 0 EHADRM Cc1cc(NC(=O)c2cccnc2C(F)(F)F)cc(C(=O)[O-])c1C ZINC000431666818 1035159349 /nfs/dbraw/zinc/15/93/49/1035159349.db2.gz VZTLALCLSTUPIN-UHFFFAOYSA-N -1 0 338.285 3.668 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)NCc2ccc([C@@H]3C[C@@H]3C)o2)s1 ZINC000612991646 1035340374 /nfs/dbraw/zinc/34/03/74/1035340374.db2.gz ICLIOWOUMCXDQS-WCQYABFASA-N -1 0 348.472 3.731 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N(Cc2ccc(C)o2)C2CC2)s1 ZINC000612991742 1035340606 /nfs/dbraw/zinc/34/06/06/1035340606.db2.gz SBPWHEUWQXVBDC-UHFFFAOYSA-N -1 0 348.472 3.791 20 0 EHADRM COc1ccc(Cl)cc1NC(=O)CSc1n[n-]c(=S)s1 ZINC000177786124 1035386817 /nfs/dbraw/zinc/38/68/17/1035386817.db2.gz FKSBLMCWJXFNMW-UHFFFAOYSA-N -1 0 347.874 3.593 20 0 EHADRM CO[C@@H]1CC[C@@H](C(=O)Nc2cc(Br)cc(Cl)c2[O-])C1 ZINC000613113256 1035408290 /nfs/dbraw/zinc/40/82/90/1035408290.db2.gz OJMBEMHMBRUWGN-VXNVDRBHSA-N -1 0 348.624 3.562 20 0 EHADRM Cc1ccn([C@H](C)CC(=O)Nc2cc(Cl)c([O-])c(Cl)c2)n1 ZINC000613162135 1035430854 /nfs/dbraw/zinc/43/08/54/1035430854.db2.gz YYPMLASOVVIMBJ-SECBINFHSA-N -1 0 328.199 3.794 20 0 EHADRM CC/C=C\CNC(=O)C[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000414081446 1035459382 /nfs/dbraw/zinc/45/93/82/1035459382.db2.gz BKEAOAAKELSMKY-AWFCHZOYSA-N -1 0 344.238 3.808 20 0 EHADRM O=C([O-])CC1(CC(=O)NC[C@@H]2CSc3ccccc32)CCCCC1 ZINC000414086544 1035469182 /nfs/dbraw/zinc/46/91/82/1035469182.db2.gz HUXQJUYOERHCHD-CQSZACIVSA-N -1 0 347.480 3.807 20 0 EHADRM CO[C@H](C)c1nc(=N[C@@H](C)Cc2ccc(C(F)(F)F)cc2)s[n-]1 ZINC000509714870 1035522438 /nfs/dbraw/zinc/52/24/38/1035522438.db2.gz UFYMCICRULZMLI-VHSXEESVSA-N -1 0 345.390 3.729 20 0 EHADRM Cc1n[n-]c(=NC(=O)c2ccc(-c3cccc(C(C)C)c3)o2)s1 ZINC000540650006 1035538923 /nfs/dbraw/zinc/53/89/23/1035538923.db2.gz MQBOFKGCLVYFTJ-UHFFFAOYSA-N -1 0 327.409 3.904 20 0 EHADRM Cc1cc(C)c(NC(=O)CC(C)(C)C(=O)[O-])cc1Br ZINC000185939264 1035543554 /nfs/dbraw/zinc/54/35/54/1035543554.db2.gz GZSAICOVXCWFAA-UHFFFAOYSA-N -1 0 328.206 3.505 20 0 EHADRM O=C([O-])C1(CNC(=O)c2cc(-c3ccccc3)ccc2Cl)CCC1 ZINC000540671681 1035544235 /nfs/dbraw/zinc/54/42/35/1035544235.db2.gz BTTYYPMYBOYKOV-UHFFFAOYSA-N -1 0 343.810 3.992 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000463479924 1035546416 /nfs/dbraw/zinc/54/64/16/1035546416.db2.gz DBUJIUFOTGCIHF-NSHDSACASA-N -1 0 335.448 3.604 20 0 EHADRM Cc1cc(NC(=O)CC(C)(C)CC(=O)[O-])cc(F)c1Br ZINC000414110155 1035562171 /nfs/dbraw/zinc/56/21/71/1035562171.db2.gz VVWBTZUMJHRVOD-UHFFFAOYSA-N -1 0 346.196 3.726 20 0 EHADRM CCSCc1ccc(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000571625478 1035571658 /nfs/dbraw/zinc/57/16/58/1035571658.db2.gz GOLQARVYLGJNQY-AWEZNQCLSA-N -1 0 336.457 3.658 20 0 EHADRM C[C@@H](NC(=O)C[C@@](C)(C(=O)[O-])c1ccc(Cl)cc1)c1ccccc1 ZINC000414113267 1035574327 /nfs/dbraw/zinc/57/43/27/1035574327.db2.gz NRJXBLNUEMCIGD-BFUOFWGJSA-N -1 0 345.826 3.950 20 0 EHADRM CCC(CC)n1nc(C(=O)N[C@@H](CC(=O)[O-])C2CCCCC2)cc1C ZINC000431803001 1035600867 /nfs/dbraw/zinc/60/08/67/1035600867.db2.gz VIBIIDXHFQWGNS-INIZCTEOSA-N -1 0 349.475 3.706 20 0 EHADRM c1nc(CSc2n[n-]c(=Nc3ccccc3)s2)oc1C1CC1 ZINC000534795463 1035610029 /nfs/dbraw/zinc/61/00/29/1035610029.db2.gz WEROVLPZKKPFMG-UHFFFAOYSA-N -1 0 330.438 3.861 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)c1 ZINC000055574126 1035612709 /nfs/dbraw/zinc/61/27/09/1035612709.db2.gz RESBLQABJFAXNC-UHFFFAOYSA-N -1 0 349.214 3.824 20 0 EHADRM C[C@@H](NC(=O)Cc1cccc(C(=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC000540774392 1035668086 /nfs/dbraw/zinc/66/80/86/1035668086.db2.gz MNZBTFZVNLRDIR-LLVKDONJSA-N -1 0 346.452 3.559 20 0 EHADRM C[C@@H](CCOc1ccccc1)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000540776079 1035672317 /nfs/dbraw/zinc/67/23/17/1035672317.db2.gz ADPRJTQQPAYZNZ-INIZCTEOSA-N -1 0 347.455 3.633 20 0 EHADRM CCCC(=O)Nc1cccc(CN=c2[n-]c(-c3ccccc3)no2)c1 ZINC000588161225 1035733153 /nfs/dbraw/zinc/73/31/53/1035733153.db2.gz NWBPUHYLSLAISS-UHFFFAOYSA-N -1 0 336.395 3.509 20 0 EHADRM C[C@@H](N=c1[n-]c(-c2ccccc2)no1)c1cccc(OC(F)F)c1 ZINC000588160943 1035733270 /nfs/dbraw/zinc/73/32/70/1035733270.db2.gz QJYCWIKOARMJRV-LLVKDONJSA-N -1 0 331.322 3.933 20 0 EHADRM O=C(Nc1ccc2c(c1)CCCC(=O)N2)c1cc(F)c([O-])c(Cl)c1 ZINC000187072481 1035746923 /nfs/dbraw/zinc/74/69/23/1035746923.db2.gz NEOGVVJJFIDMOB-UHFFFAOYSA-N -1 0 348.761 3.712 20 0 EHADRM COc1ccc(NC(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)cc1OC ZINC000588176092 1035801686 /nfs/dbraw/zinc/80/16/86/1035801686.db2.gz CBYRVPZXNRSSPI-IBGZPJMESA-N -1 0 349.427 3.704 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)cc1 ZINC000588176608 1035801813 /nfs/dbraw/zinc/80/18/13/1035801813.db2.gz JKLBPWSBSJOZHQ-JLTOFOAXSA-N -1 0 347.455 3.934 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccco2)s1)N1CCC2(CCCCC2)CC1 ZINC000588247857 1035838073 /nfs/dbraw/zinc/83/80/73/1035838073.db2.gz KZFSSBVLWVVEJH-UHFFFAOYSA-N -1 0 346.456 3.798 20 0 EHADRM CC(C)=C[C@H]1[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)C1(C)C ZINC000045099942 1035845041 /nfs/dbraw/zinc/84/50/41/1035845041.db2.gz MGOTWILCDAEULF-GJZGRUSLSA-N -1 0 339.432 3.850 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)cc1C ZINC000321518386 1035933508 /nfs/dbraw/zinc/93/35/08/1035933508.db2.gz GWROHFIZWCZVTM-UHFFFAOYSA-N -1 0 345.342 3.829 20 0 EHADRM COc1cc(F)c(S(=O)(=O)[N-]c2cccc(C(F)F)c2)c(F)c1 ZINC000588634082 1035936289 /nfs/dbraw/zinc/93/62/89/1035936289.db2.gz ORODXLUXILZULY-UHFFFAOYSA-N -1 0 349.305 3.712 20 0 EHADRM O=S(=O)([N-]c1cnc2c(c1)CCCC2)c1cc2ccccc2o1 ZINC000541073789 1035955007 /nfs/dbraw/zinc/95/50/07/1035955007.db2.gz BUCWUNBJFXTSIM-UHFFFAOYSA-N -1 0 328.393 3.507 20 0 EHADRM Cc1cccc(-c2cccc(CNC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])c2)c1 ZINC000588689193 1035973568 /nfs/dbraw/zinc/97/35/68/1035973568.db2.gz ZRLRLBOVCDYELH-UXHICEINSA-N -1 0 349.430 3.945 20 0 EHADRM O=S(=O)([N-]c1ccc2scnc2c1)c1cc(F)cc(Cl)c1 ZINC000535138429 1036068058 /nfs/dbraw/zinc/06/80/58/1036068058.db2.gz QLERPHDQVICHNR-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM CCOCCC1(CN=c2[n-]nc(Cc3ccccc3)s2)CCC1 ZINC000541279211 1036133874 /nfs/dbraw/zinc/13/38/74/1036133874.db2.gz WHTGDTQQKPGNIZ-UHFFFAOYSA-N -1 0 331.485 3.560 20 0 EHADRM O=C([O-])CCCCCNC(=O)CSc1cccc(C(F)(F)F)c1 ZINC000232722644 1036174148 /nfs/dbraw/zinc/17/41/48/1036174148.db2.gz QCTXLPJXWJXCCT-UHFFFAOYSA-N -1 0 349.374 3.559 20 0 EHADRM O=C([O-])[C@@H](CC(=O)NCC1CC(c2ccccc2)C1)c1ccccc1 ZINC000669961188 1036217908 /nfs/dbraw/zinc/21/79/08/1036217908.db2.gz UGBMKTXNWOIKQW-PPSBMQLTSA-N -1 0 337.419 3.555 20 0 EHADRM CC(C)COc1ccc(-c2ccc(C(=O)CCC(=O)[O-])cc2)cn1 ZINC000518218633 1036301022 /nfs/dbraw/zinc/30/10/22/1036301022.db2.gz PMRXHWHCFKYWDJ-UHFFFAOYSA-N -1 0 327.380 3.831 20 0 EHADRM Cc1ccc(C)c2sc([N-]S(=O)(=O)c3cccc(F)c3)nc21 ZINC000589265354 1036329783 /nfs/dbraw/zinc/32/97/83/1036329783.db2.gz FHRQQUARSLRKPY-UHFFFAOYSA-N -1 0 336.413 3.853 20 0 EHADRM CC(C)(CC(=O)Nc1cc(Cl)cc(Br)c1)C(=O)[O-] ZINC000308315573 1036415724 /nfs/dbraw/zinc/41/57/24/1036415724.db2.gz ZRLSKPQWCARYDI-UHFFFAOYSA-N -1 0 334.597 3.542 20 0 EHADRM O=C(N[C@H]1CCOc2ccc(F)cc21)c1ccc2[n-]c(=S)oc2c1 ZINC000174739462 1036422519 /nfs/dbraw/zinc/42/25/19/1036422519.db2.gz ALOKJUQSGBNLNU-LBPRGKRZSA-N -1 0 344.367 3.509 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)on1 ZINC000175650411 1036478401 /nfs/dbraw/zinc/47/84/01/1036478401.db2.gz ICKBBWQAOOHMLO-UHFFFAOYSA-N -1 0 348.346 3.792 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1cnc(C(F)(F)F)cc1C ZINC000685902714 1036510630 /nfs/dbraw/zinc/51/06/30/1036510630.db2.gz YAFLHXTVNDFBEY-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM Cc1cc2ccccc2nc1N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000685902911 1036517601 /nfs/dbraw/zinc/51/76/01/1036517601.db2.gz XAPIQVXQOITITQ-UHFFFAOYSA-N -1 0 336.420 3.890 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000263163437 1036559219 /nfs/dbraw/zinc/55/92/19/1036559219.db2.gz ZXPAGMLTWSVHQT-WFXMLNOXSA-N -1 0 339.435 3.949 20 0 EHADRM Cc1ccc2cc(C(=O)N=c3[n-]nc(-c4ccccc4)s3)[nH]c2c1 ZINC000491323164 1036562562 /nfs/dbraw/zinc/56/25/62/1036562562.db2.gz MMVFBTBXHNPBFJ-UHFFFAOYSA-N -1 0 334.404 3.669 20 0 EHADRM C[C@H](CNC(=O)N=c1nc(-c2ccccc2)[n-]s1)c1ccccc1 ZINC000541705252 1036583781 /nfs/dbraw/zinc/58/37/81/1036583781.db2.gz VXCWBFAUPGNSEM-CYBMUJFWSA-N -1 0 338.436 3.552 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc(-c2ccoc2)c1 ZINC000249318650 1036591180 /nfs/dbraw/zinc/59/11/80/1036591180.db2.gz QEHCXBKOKJHWAN-QGTPRVQTSA-N -1 0 339.391 3.805 20 0 EHADRM CSc1ccc(NC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1Cl ZINC000263200423 1036627077 /nfs/dbraw/zinc/62/70/77/1036627077.db2.gz XEYSQIDKTPEYCF-NXEZZACHSA-N -1 0 342.848 3.636 20 0 EHADRM Cn1cnc(/C=C\c2nc3cc(C(=O)[O-])ccc3n2-c2ccccc2)c1 ZINC000669818911 1036666269 /nfs/dbraw/zinc/66/62/69/1036666269.db2.gz IRXDBWMTZDGZTD-NTMALXAHSA-N -1 0 344.374 3.628 20 0 EHADRM Cc1ccc(SCCC(=O)N=c2nc(C(C)(C)C)[n-]s2)cc1C ZINC000589936232 1036667895 /nfs/dbraw/zinc/66/78/95/1036667895.db2.gz MLSHNSPMZMIYOB-UHFFFAOYSA-N -1 0 349.525 3.995 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)Cc2ccc(C(=O)[O-])cc2)c1C ZINC000263327139 1036776980 /nfs/dbraw/zinc/77/69/80/1036776980.db2.gz KXEYGLDYHZJACT-IBGZPJMESA-N -1 0 337.419 3.908 20 0 EHADRM CCCCc1cc([N-]S(=O)(=O)c2cccc(C)c2Cl)[nH]n1 ZINC000539462932 1036785702 /nfs/dbraw/zinc/78/57/02/1036785702.db2.gz CIBSSZBGKMJSRZ-UHFFFAOYSA-N -1 0 327.837 3.515 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263369791 1036831597 /nfs/dbraw/zinc/83/15/97/1036831597.db2.gz VATHWUIXYSKBNM-KOLCDFICSA-N -1 0 335.400 3.532 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(C)(C)CCCc2ccccc2)C1 ZINC000263374211 1036834591 /nfs/dbraw/zinc/83/45/91/1036834591.db2.gz WHMZHOUCMKFWPZ-RDJZCZTQSA-N -1 0 331.456 3.605 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(c2ccc3ccc(Cl)c(Cl)c3n2)C1 ZINC000263395830 1036852555 /nfs/dbraw/zinc/85/25/55/1036852555.db2.gz HRTPTAOCMDKYBY-OAHLLOKOSA-N -1 0 325.195 3.843 20 0 EHADRM COc1ccc(C)cc1[C@@H](C)NC(=O)c1c(C)ccc(C)c1C(=O)[O-] ZINC000327999548 1036866803 /nfs/dbraw/zinc/86/68/03/1036866803.db2.gz PRBGDARAPHZEAA-CQSZACIVSA-N -1 0 341.407 3.810 20 0 EHADRM Cc1ccc(O)c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000464849852 1036894937 /nfs/dbraw/zinc/89/49/37/1036894937.db2.gz ZIPNMFONAGRNLC-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM CCCc1cnc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)s1 ZINC000539553219 1036917171 /nfs/dbraw/zinc/91/71/71/1036917171.db2.gz STXIVFXHCYDAMW-UHFFFAOYSA-N -1 0 348.852 3.997 20 0 EHADRM Cc1sc(C(=O)NCC2(C(=O)[O-])CCC2)cc1-c1ccc(F)cc1 ZINC000539570447 1036929966 /nfs/dbraw/zinc/92/99/66/1036929966.db2.gz QFUMCSVTJVLFRF-UHFFFAOYSA-N -1 0 347.411 3.847 20 0 EHADRM COc1cc([C@H](C)Nc2cccc(C(=O)[O-])n2)ccc1OC(C)C ZINC000263449274 1036936411 /nfs/dbraw/zinc/93/64/11/1036936411.db2.gz ZUFKSRUIZUQTNX-LBPRGKRZSA-N -1 0 330.384 3.749 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1ccc(SC(F)F)cc1 ZINC000263474391 1036955306 /nfs/dbraw/zinc/95/53/06/1036955306.db2.gz ITOFTWAGEAZZNK-UHFFFAOYSA-N -1 0 332.372 3.766 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@H](CC(=O)[O-])C1CCCCC1 ZINC000539608144 1036970696 /nfs/dbraw/zinc/97/06/96/1036970696.db2.gz SGMCZLGYVQMRJX-QLFBSQMISA-N -1 0 335.469 3.700 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN1C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000263486838 1036979641 /nfs/dbraw/zinc/97/96/41/1036979641.db2.gz VTIMDCBYNGZIOK-QGZVFWFLSA-N -1 0 333.771 3.679 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)s1 ZINC000321604066 1036985706 /nfs/dbraw/zinc/98/57/06/1036985706.db2.gz RNVWRALUOLYKKM-ACJLOTCBSA-N -1 0 331.437 3.666 20 0 EHADRM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)[N-]OCCC(F)(F)F ZINC000162658825 1036990523 /nfs/dbraw/zinc/99/05/23/1036990523.db2.gz JDZQSVCVMAHJQH-NSHDSACASA-N -1 0 333.350 3.752 20 0 EHADRM CN(C(=O)c1ccc2[n-]c(=S)oc2c1)[C@H]1CCc2ccccc2C1 ZINC000174722432 1037005403 /nfs/dbraw/zinc/00/54/03/1037005403.db2.gz GVRLCCMSOUGTKZ-HNNXBMFYSA-N -1 0 338.432 3.746 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)CC[C@@H](C)c2ccccc2)sc1C(=O)[O-] ZINC000263524040 1037040131 /nfs/dbraw/zinc/04/01/31/1037040131.db2.gz ITUGPAPNSYDEDC-DGCLKSJQSA-N -1 0 346.452 3.911 20 0 EHADRM CC(C)(C)Cc1n[n-]c(=NCc2cnc(-c3ccsc3)s2)o1 ZINC000539693414 1037082268 /nfs/dbraw/zinc/08/22/68/1037082268.db2.gz FTJBLQMHWBWTDP-UHFFFAOYSA-N -1 0 334.470 3.877 20 0 EHADRM COc1cc(CN=c2[n-]nc(C(C)(C)C)s2)ccc1OC(C)C ZINC000539709186 1037098362 /nfs/dbraw/zinc/09/83/62/1037098362.db2.gz YMVKFJSVPQSFEI-UHFFFAOYSA-N -1 0 335.473 3.665 20 0 EHADRM [O-]c1c(Cl)cc(Cl)cc1/C=N/[C@@H]1CCN(CC(F)(F)F)C1 ZINC000057752768 1037117580 /nfs/dbraw/zinc/11/75/80/1037117580.db2.gz FWNVQCXEEXKACU-YNHJEANRSA-N -1 0 341.160 3.755 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1ccc2oc(=O)nc-2[n-]1)c1ccc(F)cc1 ZINC000666512357 1037163255 /nfs/dbraw/zinc/16/32/55/1037163255.db2.gz ADILLBZQAGNRCH-CQSZACIVSA-N -1 0 343.358 3.585 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2cccc(F)c2)c(F)c1)c1cccnc1 ZINC000542216222 1037172971 /nfs/dbraw/zinc/17/29/71/1037172971.db2.gz CVZJCODMYHNRLM-UHFFFAOYSA-N -1 0 346.358 3.828 20 0 EHADRM CCC[C@H](CC)NC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666523918 1037178330 /nfs/dbraw/zinc/17/83/30/1037178330.db2.gz OKTIYRBTBZTRSP-HNNXBMFYSA-N -1 0 332.444 3.853 20 0 EHADRM CC[C@H](C)c1ncc([N-]S(=O)(=O)c2c(C)cccc2Cl)cn1 ZINC000414382167 1037181987 /nfs/dbraw/zinc/18/19/87/1037181987.db2.gz OEBYUQPXPWSNLF-JTQLQIEISA-N -1 0 339.848 3.753 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)CCCSc1ccc(Cl)cc1 ZINC000089285206 1037187313 /nfs/dbraw/zinc/18/73/13/1037187313.db2.gz ZUWVILNNOSUSAY-UHFFFAOYSA-N -1 0 333.862 3.685 20 0 EHADRM CSc1c(F)cc([N-]S(=O)(=O)c2cc(C)cc(F)c2)cc1F ZINC000542237492 1037190236 /nfs/dbraw/zinc/19/02/36/1037190236.db2.gz XNVOCXWEJUMOGP-UHFFFAOYSA-N -1 0 347.383 3.935 20 0 EHADRM O=C([O-])CCCCNC(=O)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000666557176 1037207559 /nfs/dbraw/zinc/20/75/59/1037207559.db2.gz BDGAZOHFMQEGKP-GOSISDBHSA-N -1 0 346.471 3.828 20 0 EHADRM CCN(C(=O)NCc1cccc(C(=O)[O-])c1)[C@H](C)Cc1ccsc1 ZINC000666562517 1037212280 /nfs/dbraw/zinc/21/22/80/1037212280.db2.gz LGFVMSOFJPGVCO-CYBMUJFWSA-N -1 0 346.452 3.609 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12 ZINC000089287592 1037215940 /nfs/dbraw/zinc/21/59/40/1037215940.db2.gz DYDFLIBJALAJEG-UHFFFAOYSA-N -1 0 344.436 3.549 20 0 EHADRM Cc1c(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)sc2c1CCCC2 ZINC000659121478 1037299992 /nfs/dbraw/zinc/29/99/92/1037299992.db2.gz DSKQWHGFHULCLE-UHFFFAOYSA-N -1 0 333.453 3.909 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC000659120437 1037310414 /nfs/dbraw/zinc/31/04/14/1037310414.db2.gz UXPUWZFZGVFYML-UHFFFAOYSA-N -1 0 341.329 3.987 20 0 EHADRM O=C(Nc1nc(-c2cccnc2)cs1)c1cc(F)cc(Cl)c1[O-] ZINC000176990854 1037314418 /nfs/dbraw/zinc/31/44/18/1037314418.db2.gz LXURSYHROLLKFJ-UHFFFAOYSA-N -1 0 349.774 3.956 20 0 EHADRM O=C(Nc1nc(-c2cccnc2)cs1)c1ccc([O-])c(Cl)c1 ZINC000006969428 1037376328 /nfs/dbraw/zinc/37/63/28/1037376328.db2.gz KVCGGTUWEAFZDZ-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM O=C(C=Cc1ccc(Cl)s1)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000493482189 1037403428 /nfs/dbraw/zinc/40/34/28/1037403428.db2.gz IRBWQJBNSSPSLV-FNORWQNLSA-N -1 0 346.799 3.544 20 0 EHADRM CC[C@H](Cc1ccc(F)cc1)NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000659167906 1037404354 /nfs/dbraw/zinc/40/43/54/1037404354.db2.gz RICBMUVJWMQWBP-GOSISDBHSA-N -1 0 343.398 3.594 20 0 EHADRM CC1(C)CN(C(=O)CC2CCC(C(=O)[O-])CC2)CCc2ccccc21 ZINC000659174282 1037406768 /nfs/dbraw/zinc/40/67/68/1037406768.db2.gz SNHVOEJUPGPIJZ-UHFFFAOYSA-N -1 0 343.467 3.630 20 0 EHADRM COc1cc(C)c(C)cc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000659171297 1037412458 /nfs/dbraw/zinc/41/24/58/1037412458.db2.gz BSSFZBGLOSYRCG-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM C[C@]1(Cc2ccccc2Cl)CCCN1C(=O)c1cc(C(=O)[O-])co1 ZINC000659173629 1037415673 /nfs/dbraw/zinc/41/56/73/1037415673.db2.gz PROMASSZTQXGSZ-GOSISDBHSA-N -1 0 347.798 3.869 20 0 EHADRM Cc1sc(C(=O)N2CC3CC2(C(=O)[O-])C3)cc1-c1ccc(F)cc1 ZINC000659178127 1037419116 /nfs/dbraw/zinc/41/91/16/1037419116.db2.gz JUCNTKQMRVPQFJ-UHFFFAOYSA-N -1 0 345.395 3.552 20 0 EHADRM Cc1nc(=N[C@H](c2ccc(Br)cc2)C2CCC2)s[n-]1 ZINC000539970087 1037426550 /nfs/dbraw/zinc/42/65/50/1037426550.db2.gz RPJPMCHRCRNWGO-ZDUSSCGKSA-N -1 0 338.274 3.984 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CCCc3sccc32)[C@@H]2CCCC[C@@H]12 ZINC000659190148 1037443376 /nfs/dbraw/zinc/44/33/76/1037443376.db2.gz IRWGFMZHJHWAHP-LCGIIJARSA-N -1 0 347.480 3.660 20 0 EHADRM Cc1cc(CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)ccc1-c1ccccc1 ZINC000653286279 1037452078 /nfs/dbraw/zinc/45/20/78/1037452078.db2.gz PDJJCDCRRKRISS-MSOLQXFVSA-N -1 0 337.419 3.779 20 0 EHADRM COc1ccc(C2(CN=c3nc(C)[n-]s3)CCCCC2)cc1OC ZINC000462830791 1037454482 /nfs/dbraw/zinc/45/44/82/1037454482.db2.gz AKPNWDWUVUKOCF-UHFFFAOYSA-N -1 0 347.484 3.600 20 0 EHADRM Cc1ccc(SCC(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)cc1 ZINC000659196844 1037454777 /nfs/dbraw/zinc/45/47/77/1037454777.db2.gz YEAKDMKHMCKJLO-ULQDDVLXSA-N -1 0 347.480 3.579 20 0 EHADRM Cc1ccccc1SCC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000659193157 1037461905 /nfs/dbraw/zinc/46/19/05/1037461905.db2.gz INKFRVJYORLBIH-JYJNAYRXSA-N -1 0 347.480 3.579 20 0 EHADRM COc1cc(Cl)ccc1CN=c1nc(-c2ccccc2)[n-]s1 ZINC000462848237 1037478082 /nfs/dbraw/zinc/47/80/82/1037478082.db2.gz OHGVPLRSVACXQT-UHFFFAOYSA-N -1 0 331.828 3.901 20 0 EHADRM C[C@@](CCF)(NC(=O)c1ccc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC000659214293 1037490466 /nfs/dbraw/zinc/49/04/66/1037490466.db2.gz WTUIQWMRUYWYRC-INIZCTEOSA-N -1 0 339.750 3.533 20 0 EHADRM O=C(c1cc(F)cc(F)c1[O-])N1CCC(Cc2cccc(F)c2)CC1 ZINC001625979104 1037500892 /nfs/dbraw/zinc/50/08/92/1037500892.db2.gz POYAUMVANQIVLS-UHFFFAOYSA-N -1 0 349.352 3.904 20 0 EHADRM CC1(NC(=O)c2cc(Br)cc(C(=O)[O-])c2)CCCCC1 ZINC000462881871 1037511197 /nfs/dbraw/zinc/51/11/97/1037511197.db2.gz DBEDRISWNTZQBL-UHFFFAOYSA-N -1 0 340.217 3.600 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)CCc1ccc2ccccc2c1 ZINC000659235066 1037549633 /nfs/dbraw/zinc/54/96/33/1037549633.db2.gz IPOKFVBVVYMYSI-YLJYHZDGSA-N -1 0 325.408 3.532 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)[N-]OCc1cccnc1 ZINC000152696783 1037558648 /nfs/dbraw/zinc/55/86/48/1037558648.db2.gz PSQLJXYUYJNRRJ-KRWDZBQOSA-N -1 0 328.412 3.610 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)N[C@@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000659240160 1037561462 /nfs/dbraw/zinc/56/14/62/1037561462.db2.gz QFXGIXQQOBVPOA-RDTXWAMCSA-N -1 0 337.847 3.668 20 0 EHADRM CC(C)(C(=O)N[C@@H]1CCC[C@@]1(C)C(=O)[O-])c1ccc(Cl)cc1F ZINC000659240470 1037564154 /nfs/dbraw/zinc/56/41/54/1037564154.db2.gz BLSHALPKHWIEKF-CXAGYDPISA-N -1 0 341.810 3.516 20 0 EHADRM Cc1[n-]n(-c2cc(C)ccc2C)c(=O)c1C(=O)Nc1cccc(C)c1C ZINC000505776198 1037569668 /nfs/dbraw/zinc/56/96/68/1037569668.db2.gz IKPYCORZDGZOEF-IBGZPJMESA-N -1 0 349.434 3.898 20 0 EHADRM Cn1ccc(/C=C(/CC(=O)[O-])c2nc3cc(Cl)ccc3s2)n1 ZINC000540162042 1037618271 /nfs/dbraw/zinc/61/82/71/1037618271.db2.gz CLJBCUVFPZCOII-TWGQIWQCSA-N -1 0 333.800 3.699 20 0 EHADRM C[C@@H](CN=c1[n-]nc(-c2ccccc2)s1)Oc1ccccc1F ZINC000463074859 1037740383 /nfs/dbraw/zinc/74/03/83/1037740383.db2.gz KEPAVODNMBGNAE-LBPRGKRZSA-N -1 0 329.400 3.646 20 0 EHADRM COc1ccc(O[C@@H](C)CN=c2nc(-c3ccccc3)[n-]s2)cc1 ZINC000463082631 1037757419 /nfs/dbraw/zinc/75/74/19/1037757419.db2.gz JJCZWULPKIYVDV-ZDUSSCGKSA-N -1 0 341.436 3.515 20 0 EHADRM Cc1ccc(-c2n[n-]c(=NC(C)(C)C)n2C[C@@H]2CCCCO2)s1 ZINC000463084510 1037758491 /nfs/dbraw/zinc/75/84/91/1037758491.db2.gz AREBEPDHTRMADW-ZDUSSCGKSA-N -1 0 334.489 3.516 20 0 EHADRM CCc1cc(C)cc(CC)c1NC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000573905286 1037798685 /nfs/dbraw/zinc/79/86/85/1037798685.db2.gz HVTNQEVHCUBQDR-AWEZNQCLSA-N -1 0 332.444 3.838 20 0 EHADRM CCO[C@@H]1C[C@H](NC(=O)c2cc3ccccc3cc2O)C12CCC2 ZINC000303912024 1037852226 /nfs/dbraw/zinc/85/22/26/1037852226.db2.gz MRUKKXHTMIASLR-ZWKOTPCHSA-N -1 0 325.408 3.623 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@@H](C)c3ccc[nH]3)n2)cc1 ZINC000760947481 1037875045 /nfs/dbraw/zinc/87/50/45/1037875045.db2.gz AHZKOMDJDHVLQQ-ZDUSSCGKSA-N -1 0 338.411 3.520 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)c1ccc(Oc2ccc(F)cc2)cc1)C1CC1 ZINC000669438171 1037876779 /nfs/dbraw/zinc/87/67/79/1037876779.db2.gz FDABSKCIJOWNSN-LBPRGKRZSA-N -1 0 343.354 3.696 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N(C)C/C(C)=C\c2ccccc2)s1 ZINC000494177032 1037883954 /nfs/dbraw/zinc/88/39/54/1037883954.db2.gz UEVQHHQNVVANOI-OWBHPGMISA-N -1 0 344.484 3.870 20 0 EHADRM CCc1cc(NC(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)ccc1C ZINC000183200012 1037936744 /nfs/dbraw/zinc/93/67/44/1037936744.db2.gz NYPVMMKEQDUSFY-UHFFFAOYSA-N -1 0 335.407 3.597 20 0 EHADRM COc1ccsc1CN=c1[n-]nc(SCc2ccccc2)s1 ZINC000463251058 1037952130 /nfs/dbraw/zinc/95/21/30/1037952130.db2.gz SJVIRZXHHVGPAG-UHFFFAOYSA-N -1 0 349.506 3.935 20 0 EHADRM CCN=c1[n-]nc(SCc2ncc(-c3ccc(C)cc3)o2)s1 ZINC000463268057 1037972349 /nfs/dbraw/zinc/97/23/49/1037972349.db2.gz SWCLVFDETAIZAQ-UHFFFAOYSA-N -1 0 332.454 3.648 20 0 EHADRM C[C@@H](CNC(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1)CC(=O)[O-] ZINC000659144961 1037974348 /nfs/dbraw/zinc/97/43/48/1037974348.db2.gz LGESLDZIMXPHML-ACJLOTCBSA-N -1 0 345.826 3.699 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)/C=C/c2sc3ccccc3c2Cl)C1 ZINC000492181423 1038067472 /nfs/dbraw/zinc/06/74/72/1038067472.db2.gz MFFNCXDUAALUFY-BRAIEQGRSA-N -1 0 335.812 3.501 20 0 EHADRM CC(C)C[C@H](C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000659146035 1038145123 /nfs/dbraw/zinc/14/51/23/1038145123.db2.gz QVMJMOLONSHOQY-KBMXLJTQSA-N -1 0 337.847 3.839 20 0 EHADRM C[C@]1(NC(=O)c2cc3ccc(Cl)cc3[nH]2)CCCC[C@H]1C(=O)[O-] ZINC000431857744 1038165265 /nfs/dbraw/zinc/16/52/65/1038165265.db2.gz ANGSZNQVXMCGQB-SJCJKPOMSA-N -1 0 334.803 3.585 20 0 EHADRM CC[C@@H]1CC[C@H](C)N1C(=O)c1cc(F)cc(Br)c1[O-] ZINC000416189707 1038295463 /nfs/dbraw/zinc/29/54/63/1038295463.db2.gz LENCBAJTYJTQSQ-WCBMZHEXSA-N -1 0 330.197 3.697 20 0 EHADRM COc1ccc(C)cc1CN=c1[n-]nc(Cc2ccc(F)cc2)s1 ZINC000538593219 1038405085 /nfs/dbraw/zinc/40/50/85/1038405085.db2.gz JCFGVVNZQQMXIH-UHFFFAOYSA-N -1 0 343.427 3.619 20 0 EHADRM Fc1cccc(F)c1CN=c1[n-]nc(CCCc2ccccc2)o1 ZINC000538591700 1038421292 /nfs/dbraw/zinc/42/12/92/1038421292.db2.gz DPOBQZGCXHCXMJ-UHFFFAOYSA-N -1 0 329.350 3.557 20 0 EHADRM CCc1n[n-]c(=NCc2csc(-c3ccc(Cl)cc3)n2)s1 ZINC000538608804 1038434503 /nfs/dbraw/zinc/43/45/03/1038434503.db2.gz HRSNBZJXEHXONB-UHFFFAOYSA-N -1 0 336.873 3.911 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccsc2)s1)NC/C=C\c1ccccc1 ZINC000538689100 1038481463 /nfs/dbraw/zinc/48/14/63/1038481463.db2.gz TXSHEIJPZZDRNT-DAXSKMNVSA-N -1 0 342.449 3.523 20 0 EHADRM O=C([O-])C1(CNC(=O)C2(c3cccc(F)c3)CCCC2)CCCCC1 ZINC000431867165 1038601434 /nfs/dbraw/zinc/60/14/34/1038601434.db2.gz AVVVAWVKRAUOEU-UHFFFAOYSA-N -1 0 347.430 3.789 20 0 EHADRM CC[C@@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000182582132 1038614213 /nfs/dbraw/zinc/61/42/13/1038614213.db2.gz AFRAWRZMOXHKGC-RQJHMYQMSA-N -1 0 344.285 3.542 20 0 EHADRM CCCc1nc(=NC[C@H](Cc2ccccc2)C(F)(F)F)s[n-]1 ZINC000461881500 1038650514 /nfs/dbraw/zinc/65/05/14/1038650514.db2.gz IULTULIVDJFKNZ-LBPRGKRZSA-N -1 0 329.391 3.746 20 0 EHADRM CCC1(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CCOCC1 ZINC000910250046 1038788764 /nfs/dbraw/zinc/78/87/64/1038788764.db2.gz YRHPPHFWJZCCDR-UHFFFAOYSA-N -1 0 327.380 3.683 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@@H]3CCC[C@@H]3c3ccccc3)(CC1)CC2 ZINC000910255545 1038790491 /nfs/dbraw/zinc/79/04/91/1038790491.db2.gz RODHBOXXVZMEPK-FBIZOPLVSA-N -1 0 341.451 3.864 20 0 EHADRM COc1cccc(-n2ncc(C)c2Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001211652490 1038800808 /nfs/dbraw/zinc/80/08/08/1038800808.db2.gz AIULHEPDRCAYRA-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1O ZINC000086170817 1038810024 /nfs/dbraw/zinc/81/00/24/1038810024.db2.gz ULOQMGWFWDQCCG-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM Cc1c2ccccc2[nH]c(=O)c1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000554040163 1038815717 /nfs/dbraw/zinc/81/57/17/1038815717.db2.gz JFGMYPCZTFWSSC-UHFFFAOYSA-N -1 0 346.745 3.999 20 0 EHADRM CC(C)c1ccc2occ(C(=O)N[C@@H]3C[C@H]4C[C@@]4(C(=O)[O-])C3)c2c1 ZINC000910342339 1038839410 /nfs/dbraw/zinc/83/94/10/1038839410.db2.gz KXVCQTKGQQLDHZ-XEKQOVJPSA-N -1 0 327.380 3.539 20 0 EHADRM COc1cccc([C@H](C(=O)[O-])N(C)Cc2csc(C(C)(C)C)n2)c1 ZINC000905371376 1038848702 /nfs/dbraw/zinc/84/87/02/1038848702.db2.gz NJMATRYEYZUBEH-OAHLLOKOSA-N -1 0 348.468 3.707 20 0 EHADRM Cc1ccc([C@H](NCc2noc3c2CC(C)(C)CC3)C(=O)[O-])cc1C ZINC000905379503 1038856522 /nfs/dbraw/zinc/85/65/22/1038856522.db2.gz FDJHQKFFLNJVJH-SFHVURJKSA-N -1 0 342.439 3.722 20 0 EHADRM Cc1cccc([C@H](NCc2noc(C3CCCCC3)n2)C(=O)[O-])c1C ZINC000905402999 1038857730 /nfs/dbraw/zinc/85/77/30/1038857730.db2.gz YEOVGRFKLAXKGL-KRWDZBQOSA-N -1 0 343.427 3.650 20 0 EHADRM Cc1ccc(CCCC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)s1 ZINC000910499503 1038948354 /nfs/dbraw/zinc/94/83/54/1038948354.db2.gz XESDABVXPNLLIM-UHFFFAOYSA-N -1 0 343.448 3.662 20 0 EHADRM C[C@@H](Cc1nc2ccccc2s1)N=c1[n-]nc(C(F)(F)F)s1 ZINC000570049315 1038961485 /nfs/dbraw/zinc/96/14/85/1038961485.db2.gz KVCAJXWQPNNWSZ-ZETCQYMHSA-N -1 0 344.387 3.632 20 0 EHADRM CCCCCc1n[n-]c(=NCc2ncc(C(F)(F)F)s2)s1 ZINC000432739841 1038975698 /nfs/dbraw/zinc/97/56/98/1038975698.db2.gz BLUNNGUFIAJVNE-UHFFFAOYSA-N -1 0 336.408 3.780 20 0 EHADRM C[C@H](CC(=O)N[C@H](CC(=O)[O-])C1CCCC1)c1c[nH]c2ccccc21 ZINC000910559535 1038976267 /nfs/dbraw/zinc/97/62/67/1038976267.db2.gz LJFFSRDEXIXMTC-FZKQIMNGSA-N -1 0 342.439 3.811 20 0 EHADRM Cc1ccc(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)c(Cl)c1 ZINC000485390051 1038993696 /nfs/dbraw/zinc/99/36/96/1038993696.db2.gz QMXGTBFHYYRUBS-UHFFFAOYSA-N -1 0 339.782 3.855 20 0 EHADRM Cc1c(NC(=O)c2ccccc2CCC(=O)[O-])cnn1C1CCCC1 ZINC000910656538 1039004732 /nfs/dbraw/zinc/00/47/32/1039004732.db2.gz NTXCVWWMPBBZCP-UHFFFAOYSA-N -1 0 341.411 3.576 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1cnn(-c2ccccc2Cl)c1C(C)C ZINC000910657379 1039006179 /nfs/dbraw/zinc/00/61/79/1039006179.db2.gz XGFGTYVIKHRVOF-LLVKDONJSA-N -1 0 349.818 3.698 20 0 EHADRM O=C([O-])c1nc(C(=O)Nc2nc(C3CCCCC3)cs2)cs1 ZINC000910684673 1039020805 /nfs/dbraw/zinc/02/08/05/1039020805.db2.gz MUKFCXQFRCOAAV-UHFFFAOYSA-N -1 0 337.426 3.598 20 0 EHADRM CC(C)c1sc(NC(=O)[C@H]2CSc3ccccc32)nc1C(=O)[O-] ZINC000910695796 1039024652 /nfs/dbraw/zinc/02/46/52/1039024652.db2.gz CGMKZMKEDIFDMV-JTQLQIEISA-N -1 0 348.449 3.793 20 0 EHADRM CCOc1ccc(CC(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)cc1 ZINC000910701643 1039027777 /nfs/dbraw/zinc/02/77/77/1039027777.db2.gz VDQWCIIVGPYUKO-UHFFFAOYSA-N -1 0 348.424 3.545 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)[C@@H]2CCC[C@H](C)C2)nc1C(=O)[O-] ZINC000910727754 1039033922 /nfs/dbraw/zinc/03/39/22/1039033922.db2.gz AKAHYLYXTFTZLK-UHTWSYAYSA-N -1 0 336.457 3.640 20 0 EHADRM Cc1cccc(C2(C(=O)Nc3nc(C(=O)[O-])c(C4CC4)s3)CC2)c1 ZINC000910730956 1039039037 /nfs/dbraw/zinc/03/90/37/1039039037.db2.gz GOAHOEVJUICNLK-UHFFFAOYSA-N -1 0 342.420 3.697 20 0 EHADRM O=C([O-])c1nc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)sc1C1CC1 ZINC000910736117 1039043516 /nfs/dbraw/zinc/04/35/16/1039043516.db2.gz MGHCSHUDEQXYJH-VXGBXAGGSA-N -1 0 346.383 3.600 20 0 EHADRM CCC[C@H](C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)c1ccccn1 ZINC000910740367 1039048530 /nfs/dbraw/zinc/04/85/30/1039048530.db2.gz XAGYTZOUVORCMF-NSHDSACASA-N -1 0 345.424 3.636 20 0 EHADRM O=C(C[C@H]1C=CCCC1)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000488307560 1039085036 /nfs/dbraw/zinc/08/50/36/1039085036.db2.gz ATKPNTLYRYATKQ-NSHDSACASA-N -1 0 333.844 3.965 20 0 EHADRM CCOP(=O)(CCCNc1cc(C)cc(C(=O)[O-])c1)OCC ZINC000905753391 1039087908 /nfs/dbraw/zinc/08/79/08/1039087908.db2.gz KANQCNNVAFJISW-UHFFFAOYSA-N -1 0 329.333 3.761 20 0 EHADRM Cc1ccc(C)c(SCC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000325467802 1039096545 /nfs/dbraw/zinc/09/65/45/1039096545.db2.gz SQLHRRNZWSPUJR-HNNXBMFYSA-N -1 0 349.496 3.745 20 0 EHADRM O=C([O-])C1(CNC(=O)C2(c3cccc(Cl)c3)CCC2)CCCCC1 ZINC000325481605 1039096832 /nfs/dbraw/zinc/09/68/32/1039096832.db2.gz ICNJLDMIUMFQAM-UHFFFAOYSA-N -1 0 349.858 3.913 20 0 EHADRM Cc1c(C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)sc2cccc(F)c12 ZINC000910866376 1039127959 /nfs/dbraw/zinc/12/79/59/1039127959.db2.gz KXNYSOUJPXQVES-MWLCHTKSSA-N -1 0 335.400 3.532 20 0 EHADRM C[C@H](CC(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)C1CCCCC1 ZINC000552286199 1039135956 /nfs/dbraw/zinc/13/59/56/1039135956.db2.gz KBEQSJXYPBLLRK-GFCCVEGCSA-N -1 0 328.416 3.722 20 0 EHADRM CCCCSCCC(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC000910949368 1039153634 /nfs/dbraw/zinc/15/36/34/1039153634.db2.gz KNBJDWDIFLJDIN-UHFFFAOYSA-N -1 0 327.471 3.969 20 0 EHADRM CCO[C@H]1C[C@@H](N(C)C(=O)c2cc(F)cc(Cl)c2[O-])C12CCC2 ZINC000164266170 1039212994 /nfs/dbraw/zinc/21/29/94/1039212994.db2.gz SATAQLXIFKLAER-KGLIPLIRSA-N -1 0 341.810 3.604 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)Nc1ccccc1N1CCCCC1 ZINC000911092512 1039230894 /nfs/dbraw/zinc/23/08/94/1039230894.db2.gz QPDLCCBMHSVOLO-UHFFFAOYSA-N -1 0 328.368 3.529 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1ccc(C(=O)[O-])o1)c1ccc(F)cc1F ZINC000236654688 1039234163 /nfs/dbraw/zinc/23/41/63/1039234163.db2.gz ZKTXDBYLAFJYNQ-AWEZNQCLSA-N -1 0 337.322 3.773 20 0 EHADRM O=C([O-])C1CCC(CC(=O)Nc2ccc(N3CCCCC3)cc2)CC1 ZINC000911086262 1039242228 /nfs/dbraw/zinc/24/22/28/1039242228.db2.gz GEJWVFCUBYLDIU-UHFFFAOYSA-N -1 0 344.455 3.897 20 0 EHADRM CCCCCC[C@](C)(NC(=O)Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000236722346 1039243681 /nfs/dbraw/zinc/24/36/81/1039243681.db2.gz XEXZASROOCJAKS-IBGZPJMESA-N -1 0 348.418 3.779 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2csc3ccccc23)c(F)c1 ZINC000480204541 1039302826 /nfs/dbraw/zinc/30/28/26/1039302826.db2.gz YOTANPYEZPRDSX-UHFFFAOYSA-N -1 0 337.397 3.850 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1 ZINC000237282554 1039333177 /nfs/dbraw/zinc/33/31/77/1039333177.db2.gz VEQVTMYZZBQUGS-FNORWQNLSA-N -1 0 349.736 3.695 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)c(F)c1 ZINC000911389319 1039342501 /nfs/dbraw/zinc/34/25/01/1039342501.db2.gz HEDZGLVRWVHSDX-ONGXEEELSA-N -1 0 347.308 3.622 20 0 EHADRM O=C([O-])c1coc(N2CCC[C@H]2c2ccccc2C(F)(F)F)n1 ZINC000906152921 1039345276 /nfs/dbraw/zinc/34/52/76/1039345276.db2.gz PKNTUCDAJOJYIK-LBPRGKRZSA-N -1 0 326.274 3.733 20 0 EHADRM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(/C=C\C(=O)[O-])o2)s1 ZINC000911428780 1039358410 /nfs/dbraw/zinc/35/84/10/1039358410.db2.gz WKBCXVBGJGYOQI-GXMKHXEJSA-N -1 0 348.424 3.538 20 0 EHADRM Cc1ccc(-c2noc(=N[C@H](C)[C@@H]3OCCc4sccc43)[n-]2)cc1 ZINC000488769158 1039387983 /nfs/dbraw/zinc/38/79/83/1039387983.db2.gz YJPOOVRPZZWWQY-WBMJQRKESA-N -1 0 341.436 3.643 20 0 EHADRM Cc1ncc(C(=O)[O-])cc1C(=O)Nc1ccc(F)cc1OC(C)(C)C ZINC000911496720 1039391058 /nfs/dbraw/zinc/39/10/58/1039391058.db2.gz BKDMZBRDXHGOTN-UHFFFAOYSA-N -1 0 346.358 3.657 20 0 EHADRM C[C@H]1CC[C@H](C(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)CC1 ZINC000911599713 1039427550 /nfs/dbraw/zinc/42/75/50/1039427550.db2.gz WLVSOWFQRHCRSI-SHTZXODSSA-N -1 0 344.455 3.614 20 0 EHADRM Cc1cc(F)c(NC(=O)C[C@H]2CCC3(CCC3)CO2)cc1C(=O)[O-] ZINC000911689880 1039463158 /nfs/dbraw/zinc/46/31/58/1039463158.db2.gz VZCDXPYJGQAJCU-GFCCVEGCSA-N -1 0 335.375 3.510 20 0 EHADRM COc1ccc2c(c1NC(=O)CC1(CC(=O)[O-])CCCC1)CCC2 ZINC000911698077 1039467196 /nfs/dbraw/zinc/46/71/96/1039467196.db2.gz ZBFSKBYPFHPXPS-UHFFFAOYSA-N -1 0 331.412 3.548 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])[C@H]1COc2ccc(Cl)cc21 ZINC000488916210 1039469745 /nfs/dbraw/zinc/46/97/45/1039469745.db2.gz VGHKDJAWFKMOHP-JTQLQIEISA-N -1 0 342.153 3.953 20 0 EHADRM CO[C@H](C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C)C1CCCCC1 ZINC000911734344 1039477227 /nfs/dbraw/zinc/47/72/27/1039477227.db2.gz RINBWZVDVWYRDR-INIZCTEOSA-N -1 0 349.427 3.706 20 0 EHADRM CN(C)c1ccc2cc(NC(=O)C(C)(C)CCC(=O)[O-])ccc2c1 ZINC000911753517 1039488918 /nfs/dbraw/zinc/48/89/18/1039488918.db2.gz AMCNHKYKRAKKHW-UHFFFAOYSA-N -1 0 328.412 3.735 20 0 EHADRM CSc1cc(C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)co1 ZINC000911732713 1039491891 /nfs/dbraw/zinc/49/18/91/1039491891.db2.gz IVZORFSXXWAVHH-UHFFFAOYSA-N -1 0 335.381 3.739 20 0 EHADRM CCCCCc1nnc(NC(=O)c2n[nH]c(C)c2C(F)(F)F)s1 ZINC000906366498 1039515581 /nfs/dbraw/zinc/51/55/81/1039515581.db2.gz CNCCFXBYXWCRPO-UHFFFAOYSA-N -1 0 347.366 3.573 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)CCc1ccc2ccccc2c1 ZINC000485755834 1039516357 /nfs/dbraw/zinc/51/63/57/1039516357.db2.gz ZHRHFIRUGZOCQN-UHFFFAOYSA-N -1 0 327.424 3.732 20 0 EHADRM CC(C)N(C)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000500819899 1039544816 /nfs/dbraw/zinc/54/48/16/1039544816.db2.gz DAAFNGBHSBXUTI-UHFFFAOYSA-N -1 0 340.395 3.610 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2nc3c(ccc(F)c3F)s2)c1 ZINC000500853079 1039577506 /nfs/dbraw/zinc/57/75/06/1039577506.db2.gz QTAJCSZAYSLETE-UHFFFAOYSA-N -1 0 340.376 3.684 20 0 EHADRM O=C([O-])c1cc(/C=C\c2ccc(-n3cncn3)cc2)nc2ccccc21 ZINC000345063461 1039592570 /nfs/dbraw/zinc/59/25/70/1039592570.db2.gz AYEROWUSASDMRD-YVMONPNESA-N -1 0 342.358 3.684 20 0 EHADRM Cc1c(CC(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)cnn1C ZINC000345053661 1039602595 /nfs/dbraw/zinc/60/25/95/1039602595.db2.gz VHJDNBSISANUQL-UHFFFAOYSA-N -1 0 348.617 3.576 20 0 EHADRM CCc1nc(C)cc(Sc2n[n-]c(=Nc3ccccc3)s2)n1 ZINC000552911078 1039610669 /nfs/dbraw/zinc/61/06/69/1039610669.db2.gz KFKBTZKTPTVYIN-UHFFFAOYSA-N -1 0 329.454 3.516 20 0 EHADRM C/C=C\c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)cc1 ZINC000554689217 1039611514 /nfs/dbraw/zinc/61/15/14/1039611514.db2.gz GEQGAPPOMWRZIQ-ARJAWSKDSA-N -1 0 337.422 3.589 20 0 EHADRM Cc1cc(CSc2n[n-]c(=NCC(F)(F)F)s2)c(C)s1 ZINC000489109385 1039629021 /nfs/dbraw/zinc/62/90/21/1039629021.db2.gz YTULAYFNDZMSDE-UHFFFAOYSA-N -1 0 339.433 3.905 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc3c2CCO3)c(Cl)cc1F ZINC000478709189 1039646714 /nfs/dbraw/zinc/64/67/14/1039646714.db2.gz JADDLOLNGZDTKP-UHFFFAOYSA-N -1 0 341.791 3.523 20 0 EHADRM CCOc1ccc(C[C@@H](CNC(=O)C[C@@H](C)C(C)(C)C)C(=O)[O-])cc1 ZINC000485883835 1039647585 /nfs/dbraw/zinc/64/75/85/1039647585.db2.gz PDDGFJBPBCFCBV-ZBFHGGJFSA-N -1 0 349.471 3.517 20 0 EHADRM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccccc2Cl)n[nH]1 ZINC000485884876 1039648035 /nfs/dbraw/zinc/64/80/35/1039648035.db2.gz UGDFABPGUVBAGZ-UHFFFAOYSA-N -1 0 347.827 3.839 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)CC/C=C\c1ccccc1)Cc1ccccc1 ZINC000485925723 1039698256 /nfs/dbraw/zinc/69/82/56/1039698256.db2.gz OPBLMZCJEQJPFK-KOTDBNOLSA-N -1 0 337.419 3.540 20 0 EHADRM Cc1cccc(CO[N-]C(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)n1 ZINC000898930774 1039718425 /nfs/dbraw/zinc/71/84/25/1039718425.db2.gz MEZPUNZOKVQABA-AWEZNQCLSA-N -1 0 342.292 3.667 20 0 EHADRM Cc1cc(NC(=O)c2cc3c(cccc3F)[nH]2)cc(C(=O)[O-])c1C ZINC000485954531 1039720322 /nfs/dbraw/zinc/72/03/22/1039720322.db2.gz UAMXJPXEXVUAAU-UHFFFAOYSA-N -1 0 326.327 3.874 20 0 EHADRM CCc1ccc(S(=O)(=O)Nc2ccccc2C(C)C)cc1C(=O)[O-] ZINC000152931054 1039809831 /nfs/dbraw/zinc/80/98/31/1039809831.db2.gz ROVAVUOSGRXNFD-UHFFFAOYSA-N -1 0 347.436 3.871 20 0 EHADRM Cc1cc(C2CC2)nc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)n1 ZINC000479140151 1039994528 /nfs/dbraw/zinc/99/45/28/1039994528.db2.gz KVQPCRJWMNYYCW-UHFFFAOYSA-N -1 0 345.468 3.697 20 0 EHADRM CCc1cnc(CN[C@]2(C(=O)[O-])C[C@@H](C(C)C)c3ccccc32)s1 ZINC000417562162 1040010461 /nfs/dbraw/zinc/01/04/61/1040010461.db2.gz BPMYSVKPHWYSIQ-HNAYVOBHSA-N -1 0 344.480 3.919 20 0 EHADRM Cc1cccc([C@@H](NCc2cnc([C@H]3CCCO3)s2)C(=O)[O-])c1C ZINC000417565089 1040014469 /nfs/dbraw/zinc/01/44/69/1040014469.db2.gz PESGZDHXEFFLKY-HZPDHXFCSA-N -1 0 346.452 3.527 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)cc1C(=O)[O-] ZINC000486274699 1040031933 /nfs/dbraw/zinc/03/19/33/1040031933.db2.gz MSTSQBDKMGFXLK-LBPRGKRZSA-N -1 0 345.782 3.536 20 0 EHADRM Cc1csc(CN[C@]2(C(=O)[O-])C[C@@H](C(C)C)c3ccccc32)n1 ZINC000417588225 1040041375 /nfs/dbraw/zinc/04/13/75/1040041375.db2.gz OUDGLJXWXJUULC-KBXCAEBGSA-N -1 0 330.453 3.665 20 0 EHADRM CC[C@@H](Cc1ccc(NCc2cnn(C(C)(C)C)c2)cc1)C(=O)[O-] ZINC000417605815 1040055678 /nfs/dbraw/zinc/05/56/78/1040055678.db2.gz CJCARFNEPKAJBD-INIZCTEOSA-N -1 0 329.444 3.904 20 0 EHADRM CC(=O)Nc1ccc(CNc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1 ZINC000417608205 1040062139 /nfs/dbraw/zinc/06/21/39/1040062139.db2.gz IGBRIMRUWSWKPA-ZDUSSCGKSA-N -1 0 326.396 3.520 20 0 EHADRM CCCOc1ccc(C(=O)[O-])cc1NCc1cn(C(C)C)nc1C ZINC000417610881 1040062642 /nfs/dbraw/zinc/06/26/42/1040062642.db2.gz ODAVAWUNXXYAOE-UHFFFAOYSA-N -1 0 331.416 3.872 20 0 EHADRM CCc1nn(C)c(CC)c1CNc1ccc(C[C@H](CC)C(=O)[O-])cc1 ZINC000417609365 1040063590 /nfs/dbraw/zinc/06/35/90/1040063590.db2.gz KQPCVPVWENTHBL-HNNXBMFYSA-N -1 0 343.471 3.810 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@H](C)c2oc3ccccc3c2C)s1 ZINC000479253655 1040072662 /nfs/dbraw/zinc/07/26/62/1040072662.db2.gz KMIYZZZVIOTKQP-LLVKDONJSA-N -1 0 344.440 3.850 20 0 EHADRM CC[C@@H](Cc1ccc(NCc2ccc3c(c2)CCO3)cc1)C(=O)[O-] ZINC000417611539 1040081426 /nfs/dbraw/zinc/08/14/26/1040081426.db2.gz PFHVMSFGSSKXIX-INIZCTEOSA-N -1 0 325.408 3.887 20 0 EHADRM CC[C@@H](Cc1ccc(NCc2nc3ccccc3n2C)cc1)C(=O)[O-] ZINC000417614847 1040083185 /nfs/dbraw/zinc/08/31/85/1040083185.db2.gz VZSPOCPPPWHREQ-HNNXBMFYSA-N -1 0 337.423 3.839 20 0 EHADRM C[C@@H](Cc1ccc(NCc2cccc3c2OCCCO3)cc1)C(=O)[O-] ZINC000417615466 1040085666 /nfs/dbraw/zinc/08/56/66/1040085666.db2.gz XQMOVXXSCFEGCK-AWEZNQCLSA-N -1 0 341.407 3.723 20 0 EHADRM C[C@@H](N=c1nc(C(C)(C)C)[n-]s1)c1ccc(Br)cn1 ZINC000480848634 1040087114 /nfs/dbraw/zinc/08/71/14/1040087114.db2.gz DIZBHRLUQCMXPL-MRVPVSSYSA-N -1 0 341.278 3.588 20 0 EHADRM CC(C)[C@@H](C)CC(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000486368191 1040090918 /nfs/dbraw/zinc/09/09/18/1040090918.db2.gz HPNMXNDWHFLQQU-MAUKXSAKSA-N -1 0 341.451 3.882 20 0 EHADRM CC(C)(C)c1nc(=NCc2nc(-c3ccc(Cl)cc3)no2)s[n-]1 ZINC000489567803 1040091259 /nfs/dbraw/zinc/09/12/59/1040091259.db2.gz ITOQKXYZNAMDBD-UHFFFAOYSA-N -1 0 349.847 3.573 20 0 EHADRM CCC[C@H](CC1CCCCC1)C(=O)NCc1nc(C(=O)[O-])cs1 ZINC000486369758 1040093029 /nfs/dbraw/zinc/09/30/29/1040093029.db2.gz KDNFXNHNKRBRMN-CYBMUJFWSA-N -1 0 338.473 3.844 20 0 EHADRM CC(C)(CO)[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000614090036 1040100324 /nfs/dbraw/zinc/10/03/24/1040100324.db2.gz YKTWKFUAPDBLCA-INIZCTEOSA-N -1 0 333.815 3.535 20 0 EHADRM Cc1oc(C(C)(C)C)cc1C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000907658990 1040119559 /nfs/dbraw/zinc/11/95/59/1040119559.db2.gz IDSWWOUIUMHIOF-HNNXBMFYSA-N -1 0 347.386 3.623 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2ccccc2C2(C)CC2)n1 ZINC000907705681 1040136587 /nfs/dbraw/zinc/13/65/87/1040136587.db2.gz YUXSJSSFQUWWCY-OAHLLOKOSA-N -1 0 341.411 3.613 20 0 EHADRM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000907719950 1040143427 /nfs/dbraw/zinc/14/34/27/1040143427.db2.gz UCXLVJVGPSRHBL-HJQYOEGKSA-N -1 0 339.338 3.607 20 0 EHADRM Cc1cc(CNCc2nc3c(s2)C[C@H](C)CC3)ccc1C(=O)[O-] ZINC000417666431 1040143651 /nfs/dbraw/zinc/14/36/51/1040143651.db2.gz FXPVGUSOPVDLSY-LLVKDONJSA-N -1 0 330.453 3.564 20 0 EHADRM C[C@@H](NC(=O)c1ccccc1C1CCC1)c1ncc(C(=O)[O-])s1 ZINC000907733362 1040150478 /nfs/dbraw/zinc/15/04/78/1040150478.db2.gz XXYKAPYEUGMHOM-SNVBAGLBSA-N -1 0 330.409 3.600 20 0 EHADRM Cc1cccc(CN(C)C(=O)N=c2[n-]nc(C(C)(C)C)s2)c1C ZINC000432918379 1040174427 /nfs/dbraw/zinc/17/44/27/1040174427.db2.gz OWUWGTCVJGELTR-UHFFFAOYSA-N -1 0 332.473 3.538 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC)C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC000667482928 1040208328 /nfs/dbraw/zinc/20/83/28/1040208328.db2.gz SPGCLXZUSVZUMH-AWEZNQCLSA-N -1 0 325.368 3.542 20 0 EHADRM CC(C)c1ccc(C2(C(=O)[N-]OC[C@@H]3CCOC3)CCCC2)cc1 ZINC000189243438 1040208433 /nfs/dbraw/zinc/20/84/33/1040208433.db2.gz DBAGWXQKUKLNIA-MRXNPFEDSA-N -1 0 331.456 3.706 20 0 EHADRM CC(C)Oc1ccc([C@H](C)N=c2[n-]nc(C(F)(F)F)s2)cc1 ZINC000555148000 1040213866 /nfs/dbraw/zinc/21/38/66/1040213866.db2.gz UQQGDCFTEUIMAS-VIFPVBQESA-N -1 0 331.363 3.939 20 0 EHADRM Cc1ccc2c(ccc(C)c2C(=O)N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@H]23)c1 ZINC000907946907 1040240279 /nfs/dbraw/zinc/24/02/79/1040240279.db2.gz ARIKRSDQDNWLBJ-CIRFHOKZSA-N -1 0 337.419 3.686 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)c1ccc(SC(F)F)cc1 ZINC000908018537 1040265781 /nfs/dbraw/zinc/26/57/81/1040265781.db2.gz IWZLDCBTWTVERF-NSHDSACASA-N -1 0 331.384 3.621 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)c2cc(F)c(F)cc2C(=O)[O-])c(C)s1 ZINC000322207026 1040266298 /nfs/dbraw/zinc/26/62/98/1040266298.db2.gz SKSNHNPZXIDGEE-MRVPVSSYSA-N -1 0 339.363 3.832 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)c1[nH]c2ccc(F)cc2c1Cl ZINC000908023469 1040266628 /nfs/dbraw/zinc/26/66/28/1040266628.db2.gz HJDFWWZEAFTFKE-LLVKDONJSA-N -1 0 340.782 3.580 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)N(C)c1cccc(CC(=O)[O-])c1 ZINC000908080998 1040289200 /nfs/dbraw/zinc/28/92/00/1040289200.db2.gz UVNBVRSICJODMQ-CYBMUJFWSA-N -1 0 345.826 3.809 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1F)C(C)(C)C ZINC000908118404 1040296666 /nfs/dbraw/zinc/29/66/66/1040296666.db2.gz BRNFWWLHMUJRBY-MRXNPFEDSA-N -1 0 344.386 3.745 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Nc1nc2ccsc2s1 ZINC000899310239 1040297332 /nfs/dbraw/zinc/29/73/32/1040297332.db2.gz CTWIDRFOKCWIKQ-VIFPVBQESA-N -1 0 339.442 3.609 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cc(C2CC2)oc1C1CC1)C1CCCC1 ZINC000899299310 1040301348 /nfs/dbraw/zinc/30/13/48/1040301348.db2.gz VAHISQORISHNMB-OAHLLOKOSA-N -1 0 331.412 3.798 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000899311461 1040310978 /nfs/dbraw/zinc/31/09/78/1040310978.db2.gz NEYKWJNVEKQGDM-VIFPVBQESA-N -1 0 346.214 3.640 20 0 EHADRM O=c1c(C(F)(F)F)c(C2CC2)[n-]n1-c1ccccc1C(F)(F)F ZINC000899346089 1040348586 /nfs/dbraw/zinc/34/85/86/1040348586.db2.gz BAQRAUUZKKYKEY-JTQLQIEISA-N -1 0 336.235 3.997 20 0 EHADRM O=c1cc(CC2CC2)[n-]n1-c1ccc(-c2ccc(Cl)s2)nn1 ZINC000899352942 1040357993 /nfs/dbraw/zinc/35/79/93/1040357993.db2.gz QREHNPPOAJXXOW-UHFFFAOYSA-N -1 0 332.816 3.751 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(C)(C)C)c2O)cc1 ZINC000479530760 1040363108 /nfs/dbraw/zinc/36/31/08/1040363108.db2.gz NAHPROPNSRFITG-UHFFFAOYSA-N -1 0 349.452 3.889 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2c(C)cccc2F)cc1Cl ZINC000479532221 1040366093 /nfs/dbraw/zinc/36/60/93/1040366093.db2.gz XZCICFUFHNMCEC-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1sccc1C(F)F)CC1CCCC1 ZINC000908289013 1040384190 /nfs/dbraw/zinc/38/41/90/1040384190.db2.gz HCOTYNFMIRQYSH-JTQLQIEISA-N -1 0 331.384 3.697 20 0 EHADRM Cc1cc(C(F)F)oc1C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC000908293814 1040391017 /nfs/dbraw/zinc/39/10/17/1040391017.db2.gz VLWYDZFPKLVYTR-NSHDSACASA-N -1 0 329.343 3.537 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)[C@@H]2SCCc3ccccc32)CCC1 ZINC000908343099 1040401837 /nfs/dbraw/zinc/40/18/37/1040401837.db2.gz WDILBKLCDOOSEX-MRXNPFEDSA-N -1 0 347.480 3.558 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)C(=O)c1ccc(Cl)cc1 ZINC000163623196 1040416877 /nfs/dbraw/zinc/41/68/77/1040416877.db2.gz NVLHCDNLFBMULG-UHFFFAOYSA-N -1 0 332.768 3.591 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)C2(c3ccccc3Cl)CCC2)C1 ZINC000908375148 1040420197 /nfs/dbraw/zinc/42/01/97/1040420197.db2.gz YVRJQVGGUUNMIB-OLZOCXBDSA-N -1 0 335.831 3.521 20 0 EHADRM C[C@@H](CC(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1)Cc1ccc(Cl)cc1 ZINC000908376382 1040420511 /nfs/dbraw/zinc/42/05/11/1040420511.db2.gz XGYUVUVHNHIGIQ-IVMMDQJWSA-N -1 0 337.847 3.668 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1 ZINC000908375627 1040420827 /nfs/dbraw/zinc/42/08/27/1040420827.db2.gz CICHYBVCMYVYCD-QKLQHJQFSA-N -1 0 331.456 3.651 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)CCc2ccc(F)c3ccccc23)C1 ZINC000908375949 1040421002 /nfs/dbraw/zinc/42/10/02/1040421002.db2.gz INKUSHDMBYNJRT-HIFRSBDPSA-N -1 0 343.398 3.671 20 0 EHADRM CC[C@@H]1CCCCCN1C(=O)N=c1[n-]nc(/C=C\c2ccco2)s1 ZINC000486882921 1040512445 /nfs/dbraw/zinc/51/24/45/1040512445.db2.gz UPQPGCUXHVZYGB-ASCRHOAZSA-N -1 0 346.456 3.910 20 0 EHADRM CCC1(C(=O)Nc2ccc(C(=O)[O-])c(OC)c2)CCC(F)(F)CC1 ZINC000659155025 1040521841 /nfs/dbraw/zinc/52/18/41/1040521841.db2.gz XWNZWPZAYXZAEM-UHFFFAOYSA-N -1 0 341.354 3.938 20 0 EHADRM CC[C@H](C)c1cccc(NC(=O)N(C)[C@@H](COC(C)C)C(=O)[O-])c1 ZINC000908628082 1040536304 /nfs/dbraw/zinc/53/63/04/1040536304.db2.gz MPBIWMQLICGCKS-BBRMVZONSA-N -1 0 336.432 3.542 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CC[C@@H]1CCc2ccccc21)c1cccs1 ZINC000908639679 1040542849 /nfs/dbraw/zinc/54/28/49/1040542849.db2.gz XOWVVCSAVVJNHQ-HOCLYGCPSA-N -1 0 343.448 3.890 20 0 EHADRM CC(C)=CC[C@H](NC(=O)Nc1ccc2cnn(C(C)C)c2c1)C(=O)[O-] ZINC000908621269 1040548992 /nfs/dbraw/zinc/54/89/92/1040548992.db2.gz IQAVSPRWZQQBEP-HNNXBMFYSA-N -1 0 344.415 3.548 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000042232241 1040561940 /nfs/dbraw/zinc/56/19/40/1040561940.db2.gz MHJLGDKFPKYHBJ-UHFFFAOYSA-N -1 0 333.340 3.574 20 0 EHADRM O=C([O-])C12CCC(C(=O)Nc3ccc(Cl)cc3F)(CC1)CC2 ZINC000908693821 1040579658 /nfs/dbraw/zinc/57/96/58/1040579658.db2.gz LJZQRKDQSJJTOD-UHFFFAOYSA-N -1 0 325.767 3.843 20 0 EHADRM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1csc(C(=O)[O-])n1 ZINC000908767284 1040642378 /nfs/dbraw/zinc/64/23/78/1040642378.db2.gz BIUHWDVWEPIHMH-DZGCQCFKSA-N -1 0 344.436 3.640 20 0 EHADRM CCc1ccc([C@H]2CCCCCN2C(=O)c2ccoc2CC(=O)[O-])o1 ZINC000908817517 1040665022 /nfs/dbraw/zinc/66/50/22/1040665022.db2.gz RNXAGJDEQLMQQY-OAHLLOKOSA-N -1 0 345.395 3.820 20 0 EHADRM CC[C@@H]1C[C@H](CC(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)CCO1 ZINC000908900437 1040707597 /nfs/dbraw/zinc/70/75/97/1040707597.db2.gz AGXQHPFGFXNYOK-UKRRQHHQSA-N -1 0 349.427 3.706 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)s1 ZINC000512734112 1040715453 /nfs/dbraw/zinc/71/54/53/1040715453.db2.gz IWICCTBKWHXRBB-CABCVRRESA-N -1 0 344.484 3.760 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1ccc([C@H](C)C(F)(F)F)cc1 ZINC000908962617 1040723992 /nfs/dbraw/zinc/72/39/92/1040723992.db2.gz MWMPFYPMDDDDQQ-NSHDSACASA-N -1 0 331.334 3.678 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccccc2C)noc1-c1ccccc1F ZINC000433110516 1040770140 /nfs/dbraw/zinc/77/01/40/1040770140.db2.gz AXKSJBXNGWVHNV-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM Cc1ccccc1[C@H](C)C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000909065136 1040787570 /nfs/dbraw/zinc/78/75/70/1040787570.db2.gz IYNFFDHPFMBUAY-RLFYNMQTSA-N -1 0 325.408 3.677 20 0 EHADRM CSc1cc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c(C)o1 ZINC000909066886 1040790013 /nfs/dbraw/zinc/79/00/13/1040790013.db2.gz FUTPHZHFAFUFGQ-BMIGLBTASA-N -1 0 333.409 3.502 20 0 EHADRM CC(C)(C)c1cnc(CCC(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)o1 ZINC000909095676 1040797774 /nfs/dbraw/zinc/79/77/74/1040797774.db2.gz FBSUDLURVJWUDM-WDZFZDKYSA-N -1 0 342.395 3.641 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)c2ccn(C3CCCCC3)n2)cc1 ZINC000909101054 1040802759 /nfs/dbraw/zinc/80/27/59/1040802759.db2.gz QMXICHSXIDZEPN-DHZHZOJOSA-N -1 0 339.395 3.738 20 0 EHADRM O=C([O-])CCCCCCNC(=O)[C@H](c1ccncc1)C1CCCC1 ZINC000909146523 1040845064 /nfs/dbraw/zinc/84/50/64/1040845064.db2.gz QGVKYBCQKFVOGM-SFHVURJKSA-N -1 0 332.444 3.507 20 0 EHADRM CCc1ccc(-c2cccc(CO[C@H]3CCOC3)c2)cc1C(=O)[O-] ZINC000899633391 1040885097 /nfs/dbraw/zinc/88/50/97/1040885097.db2.gz WKJHHLGZZNFWBN-SFHVURJKSA-N -1 0 326.392 3.920 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000899627890 1040891100 /nfs/dbraw/zinc/89/11/00/1040891100.db2.gz IUMDOORJLRKALC-PXAZEXFGSA-N -1 0 345.826 3.840 20 0 EHADRM CC1(C)COc2ccc(-c3cccc4c3NC(=O)[C@@H]4CC(=O)[O-])cc21 ZINC000899641374 1040908416 /nfs/dbraw/zinc/90/84/16/1040908416.db2.gz YISHRNUAMXLVBQ-CQSZACIVSA-N -1 0 337.375 3.534 20 0 EHADRM CCc1n[n-]c(=NC(=O)N(CC)Cc2ccc3ccccc3c2)s1 ZINC000512787298 1040920238 /nfs/dbraw/zinc/92/02/38/1040920238.db2.gz HDJYAWDVZKHFOW-UHFFFAOYSA-N -1 0 340.452 3.730 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000237006542 1040936216 /nfs/dbraw/zinc/93/62/16/1040936216.db2.gz DOKHPJUNLYIUEV-PEKVBPLLSA-N -1 0 339.391 3.889 20 0 EHADRM CCSCc1ccccc1C(=O)N1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000909702376 1040943480 /nfs/dbraw/zinc/94/34/80/1040943480.db2.gz ZFNRIVONTOTCSP-GOSISDBHSA-N -1 0 335.469 3.513 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)c1sc2cccc(F)c2c1Cl ZINC000909734881 1040988621 /nfs/dbraw/zinc/98/86/21/1040988621.db2.gz PSMJMPMCWGXYKP-MRVPVSSYSA-N -1 0 341.791 3.773 20 0 EHADRM CC(C)(CC(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1)C1CCCCC1 ZINC000909765997 1040996948 /nfs/dbraw/zinc/99/69/48/1040996948.db2.gz XBHRZRJIEMFJOQ-MRXNPFEDSA-N -1 0 349.393 3.849 20 0 EHADRM C[C@@H]1C[C@H](C)CN1C(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1 ZINC000481529617 1041028426 /nfs/dbraw/zinc/02/84/26/1041028426.db2.gz BAYRDYZETRFHIV-VHSXEESVSA-N -1 0 336.848 3.543 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2ccn(C3CCCCC3)n2)cc1 ZINC000909835419 1041030827 /nfs/dbraw/zinc/03/08/27/1041030827.db2.gz GIEIVSRGXQZLSE-ZDUSSCGKSA-N -1 0 341.411 3.829 20 0 EHADRM Cc1nc(CC(C)C)oc1C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000909835157 1041030842 /nfs/dbraw/zinc/03/08/42/1041030842.db2.gz DRVPEVBTOBZVFM-NSHDSACASA-N -1 0 330.384 3.622 20 0 EHADRM C[C@H](C(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1)c1ccncc1 ZINC000909843811 1041036702 /nfs/dbraw/zinc/03/67/02/1041036702.db2.gz JFUIPWVWQBBNCZ-YOEHRIQHSA-N -1 0 332.444 3.505 20 0 EHADRM CC1(C)CN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)c2cc(F)ccc21 ZINC000909877640 1041045999 /nfs/dbraw/zinc/04/59/99/1041045999.db2.gz CVGDEYAJQGZYIM-UHFFFAOYSA-N -1 0 345.414 3.875 20 0 EHADRM C[C@@H]1CN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CCc2ccccc21 ZINC000909899604 1041057173 /nfs/dbraw/zinc/05/71/73/1041057173.db2.gz ABCJKTYPQWWPLK-TVRCVXMWSA-N -1 0 341.451 3.600 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1ccc2c(cnn2C(F)F)c1 ZINC000899775182 1041111976 /nfs/dbraw/zinc/11/19/76/1041111976.db2.gz JYHPTPJEECIMDU-JTQLQIEISA-N -1 0 339.342 3.507 20 0 EHADRM Cc1ccccc1-c1ccccc1C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000909987738 1041122484 /nfs/dbraw/zinc/12/24/84/1041122484.db2.gz DZZKPGWCUUGJLC-WBVHZDCISA-N -1 0 337.419 3.845 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)NCc2ccc3sccc3c2)s[n-]1 ZINC000570950038 1041125078 /nfs/dbraw/zinc/12/50/78/1041125078.db2.gz PXWFNPWYVPNOMZ-UHFFFAOYSA-N -1 0 346.481 3.794 20 0 EHADRM CO[C@@H](C)c1nc(=NC2CC(c3ccc(F)c(Cl)c3)C2)s[n-]1 ZINC000509832837 1041134220 /nfs/dbraw/zinc/13/42/20/1041134220.db2.gz DMPQWAPZKICBGF-PUSIOWJLSA-N -1 0 341.839 3.818 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)N(C)[C@H](C)c1cc(F)ccc1F ZINC000899799136 1041136745 /nfs/dbraw/zinc/13/67/45/1041136745.db2.gz OKDDKAWKHOUFFA-NEPJUHHUSA-N -1 0 327.371 3.621 20 0 EHADRM C[C@@H]1CCC[C@H](C)N(C(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])C1 ZINC000669167277 1041140043 /nfs/dbraw/zinc/14/00/43/1041140043.db2.gz ALIGFBKIAXCXRR-NEPJUHHUSA-N -1 0 349.381 3.507 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)[C@@H]3C[C@]3(C(=O)[O-])C(C)C)cc2)oc1C ZINC000899802897 1041141362 /nfs/dbraw/zinc/14/13/62/1041141362.db2.gz KFDOBRDKQCDDMC-KXBFYZLASA-N -1 0 342.395 3.644 20 0 EHADRM Cc1cccc(OC(F)F)c1NC(=O)[C@@H](CC(=O)[O-])CC(C)C ZINC000899812561 1041158426 /nfs/dbraw/zinc/15/84/26/1041158426.db2.gz AKGCFGKKOOSXDB-LLVKDONJSA-N -1 0 329.343 3.672 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000899813900 1041158758 /nfs/dbraw/zinc/15/87/58/1041158758.db2.gz WFJXDDRMRMMIPM-ZFWWWQNUSA-N -1 0 344.411 3.656 20 0 EHADRM Cc1coc(-c2cccc(NC(=O)[C@H](CC(=O)[O-])CC(C)C)c2)n1 ZINC000899818617 1041173264 /nfs/dbraw/zinc/17/32/64/1041173264.db2.gz QGRSZDBTCUUVPS-AWEZNQCLSA-N -1 0 330.384 3.726 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N2CCc3ccccc3[C@@H]2C)C(=O)[O-])cc1 ZINC000899818797 1041176193 /nfs/dbraw/zinc/17/61/93/1041176193.db2.gz IJBYBJJUQCWNNY-HNAYVOBHSA-N -1 0 337.419 3.699 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N[C@@H](CF)c2ccc(F)cc2)C(=O)[O-])cc1 ZINC000899833821 1041179163 /nfs/dbraw/zinc/17/91/63/1041179163.db2.gz OZHPIPBEGGVEBV-SJORKVTESA-N -1 0 347.361 3.519 20 0 EHADRM Cc1cc(N=c2nc(-c3ccccc3)[n-]s2)nn1[C@H](C)C1CC1 ZINC000512890636 1041180609 /nfs/dbraw/zinc/18/06/09/1041180609.db2.gz RGUPDEBPPHJWFM-GFCCVEGCSA-N -1 0 325.441 3.847 20 0 EHADRM Cc1cc(F)ccc1[C@@H](C)NC(=O)[C@](C)(CC(=O)[O-])c1ccsc1 ZINC000899836712 1041182154 /nfs/dbraw/zinc/18/21/54/1041182154.db2.gz OMSUZSVPYWKCQP-KZULUSFZSA-N -1 0 349.427 3.805 20 0 EHADRM CCC[C@]1(C(=O)[O-])CCCN1C(=O)c1ccc(C(F)F)cc1F ZINC000910116496 1041186482 /nfs/dbraw/zinc/18/64/82/1041186482.db2.gz ZDJZEPINPDZJQZ-MRXNPFEDSA-N -1 0 329.318 3.623 20 0 EHADRM CCC[C@@]1(C(=O)[O-])CCCN1C(=O)C[C@H](c1ccc(O)cc1)C1CC1 ZINC000910115057 1041196826 /nfs/dbraw/zinc/19/68/26/1041196826.db2.gz NBDUVNXQBISJCO-PXNSSMCTSA-N -1 0 345.439 3.522 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)Nc1ccc(Oc2cccnc2)c(C)c1 ZINC000555851273 1041225029 /nfs/dbraw/zinc/22/50/29/1041225029.db2.gz RUZNSLYRXAGTEC-UHFFFAOYSA-N -1 0 343.383 3.511 20 0 EHADRM Cc1ccncc1CSc1n[n-]c(=NCc2ccc(F)cc2)s1 ZINC000433373756 1041344505 /nfs/dbraw/zinc/34/45/05/1041344505.db2.gz KSZMZJRJIPYYLR-UHFFFAOYSA-N -1 0 346.456 3.707 20 0 EHADRM C[C@H](c1ccccc1)N(C)C(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000392155661 1041358105 /nfs/dbraw/zinc/35/81/05/1041358105.db2.gz AFPSSLZCEXCVEO-FOIQADDNSA-N -1 0 325.408 3.639 20 0 EHADRM CCC(C)(C)c1ccc(C(=O)N=c2[n-]nc(C(F)(F)F)s2)cc1 ZINC000509882320 1041407946 /nfs/dbraw/zinc/40/79/46/1041407946.db2.gz QGMYDLMEFHCRRC-UHFFFAOYSA-N -1 0 343.374 3.919 20 0 EHADRM COc1ccc(OCCCN=c2[n-]nc(-c3ccccc3)s2)cc1 ZINC000511716541 1041486927 /nfs/dbraw/zinc/48/69/27/1041486927.db2.gz UXSCCTJLHWBNPE-UHFFFAOYSA-N -1 0 341.436 3.517 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)NCC1C2CC3CC(C2)CC1C3 ZINC000432096037 1041590238 /nfs/dbraw/zinc/59/02/38/1041590238.db2.gz RMRFWOLHADKIMF-UHFFFAOYSA-N -1 0 341.451 3.506 20 0 EHADRM C[C@]1(NC(=O)Cc2cc(Cl)ccc2Cl)CCCC[C@H]1C(=O)[O-] ZINC000432116876 1041612718 /nfs/dbraw/zinc/61/27/18/1041612718.db2.gz NIQYDPGBOBFLAU-LRDDRELGSA-N -1 0 344.238 3.686 20 0 EHADRM CCCOc1ccc([C@H](C)N=c2[n-]nc(C3CC3)s2)cc1OC ZINC000432123270 1041617537 /nfs/dbraw/zinc/61/75/37/1041617537.db2.gz BDUDTRHKLAORKH-NSHDSACASA-N -1 0 333.457 3.808 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000432129259 1041628155 /nfs/dbraw/zinc/62/81/55/1041628155.db2.gz KGQAXGYCFUVANQ-DWQUBVKVSA-N -1 0 337.847 3.668 20 0 EHADRM C[C@]1(NC(=O)CCc2cc3ccccc3o2)CCCC[C@@H]1C(=O)[O-] ZINC000432133480 1041632450 /nfs/dbraw/zinc/63/24/50/1041632450.db2.gz MRRQNVOBNBXVGN-BEFAXECRSA-N -1 0 329.396 3.515 20 0 EHADRM CCCOc1ccc(CCC(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])cc1 ZINC000432138081 1041639783 /nfs/dbraw/zinc/63/97/83/1041639783.db2.gz HYYGXMZAGYPZMJ-PXNSSMCTSA-N -1 0 347.455 3.558 20 0 EHADRM FC(F)(F)[C@@H](CCN=c1[n-]nc(C2CC2)s1)c1ccccc1 ZINC000432155783 1041663877 /nfs/dbraw/zinc/66/38/77/1041663877.db2.gz MFFKVZFVCGDBCN-LBPRGKRZSA-N -1 0 327.375 3.986 20 0 EHADRM CCCCOc1ccc(NC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)c(C)c1 ZINC000647693853 1041702417 /nfs/dbraw/zinc/70/24/17/1041702417.db2.gz PDMQVJNZUPYLMF-XJKSGUPXSA-N -1 0 348.443 3.748 20 0 EHADRM CCOC(=O)c1ccc(Nc2ccc(C(=O)[O-])c(C)c2)c(OC)c1 ZINC001211660932 1041705594 /nfs/dbraw/zinc/70/55/94/1041705594.db2.gz UIVYWPXWXVQKRX-UHFFFAOYSA-N -1 0 329.352 3.622 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)c1ccc2ncccc2c1)C(=O)[O-] ZINC000236706820 1041772131 /nfs/dbraw/zinc/77/21/31/1041772131.db2.gz APAKOALMJCMCTP-LJQANCHMSA-N -1 0 328.412 3.778 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)N=c1[n-]nc(-c2ccccc2)s1 ZINC000467243034 1041814232 /nfs/dbraw/zinc/81/42/32/1041814232.db2.gz QLPHMRVWKDSGIY-BPLDGKMQSA-N -1 0 342.468 3.812 20 0 EHADRM Cc1cc(N2CCc3cc(Br)cc(N)c32)ccc1C(=O)[O-] ZINC001211663417 1041859397 /nfs/dbraw/zinc/85/93/97/1041859397.db2.gz IXXMUJRWVLBXHF-UHFFFAOYSA-N -1 0 347.212 3.732 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cc(Cl)ccc2Cl)[C@H](C(=O)[O-])C1 ZINC000125597860 1041951994 /nfs/dbraw/zinc/95/19/94/1041951994.db2.gz YIQZJQQGKTYELK-PELKAZGASA-N -1 0 331.199 3.710 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)CC2CC(c3ccccc3)C2)c2ccccc21 ZINC000653327003 1042070625 /nfs/dbraw/zinc/07/06/25/1042070625.db2.gz OVDAKQOWFNTTRL-YUNSAGIJSA-N -1 0 349.430 4.000 20 0 EHADRM C[C@H](NCc1n[nH]c(=O)[n-]1)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000661457488 1042132115 /nfs/dbraw/zinc/13/21/15/1042132115.db2.gz MIJVDKMOFPAGMW-KBPBESRZSA-N -1 0 338.411 3.501 20 0 EHADRM O=C(NCCc1c[nH]c2ccccc12)c1cc(F)c([O-])c(Cl)c1 ZINC000184174426 1042176277 /nfs/dbraw/zinc/17/62/77/1042176277.db2.gz VLMNHHVJWQLQJJ-UHFFFAOYSA-N -1 0 332.762 3.639 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)OC)Cc1cc(O)cc(F)c1 ZINC000473139156 1042273273 /nfs/dbraw/zinc/27/32/73/1042273273.db2.gz PACWQBNGUBLIAJ-SFHVURJKSA-N -1 0 331.387 3.658 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C2CCC(C(C)(C)O)CC2)c1 ZINC000652267424 1042301371 /nfs/dbraw/zinc/30/13/71/1042301371.db2.gz UPQCOYMUTSIYJX-UHFFFAOYSA-N -1 0 333.428 3.501 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(NC3CCCCC3)cc2)CC=CC1 ZINC000663032870 1042368232 /nfs/dbraw/zinc/36/82/32/1042368232.db2.gz HJIJTKMLTRNPDD-UHFFFAOYSA-N -1 0 328.412 3.791 20 0 EHADRM CCN(CC)c1ccc(NC(=O)c2cc(F)c([O-])c(Cl)c2)cn1 ZINC000184269845 1042391566 /nfs/dbraw/zinc/39/15/66/1042391566.db2.gz DJGFYZIVJDEIEX-UHFFFAOYSA-N -1 0 337.782 3.678 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000663080638 1042426843 /nfs/dbraw/zinc/42/68/43/1042426843.db2.gz INPKVDNBRAPSNZ-AAEUAGOBSA-N -1 0 341.860 3.740 20 0 EHADRM Cc1sc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)nc1-c1ccccc1 ZINC000663078488 1042427847 /nfs/dbraw/zinc/42/78/47/1042427847.db2.gz AJNIHYGNNIZUSN-GFCCVEGCSA-N -1 0 332.425 3.804 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000663091374 1042440062 /nfs/dbraw/zinc/44/00/62/1042440062.db2.gz WLGPQDJMOFCPFG-GFCCVEGCSA-N -1 0 331.334 3.867 20 0 EHADRM CN(C(=O)N=c1[n-]nc(/C=C\c2ccco2)s1)[C@H]1CCC(C)(C)C1 ZINC000432263614 1042443122 /nfs/dbraw/zinc/44/31/22/1042443122.db2.gz IAUBUUXNHZKKTN-DGMVEKRQSA-N -1 0 346.456 3.766 20 0 EHADRM CC[C@H]1CN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CCS1 ZINC000652418735 1042466898 /nfs/dbraw/zinc/46/68/98/1042466898.db2.gz JNWFRKVFVXWQGT-GXFFZTMASA-N -1 0 334.268 3.947 20 0 EHADRM C[C@@H](NC(=O)C1(C(F)(F)F)CCCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000663121858 1042469803 /nfs/dbraw/zinc/46/98/03/1042469803.db2.gz SHAZMJLRIBLCLQ-GRYCIOLGSA-N -1 0 349.393 3.751 20 0 EHADRM O=C([O-])[C@H](c1ccccc1)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000652435167 1042474781 /nfs/dbraw/zinc/47/47/81/1042474781.db2.gz RWKGHGJPNTWQRG-YOEHRIQHSA-N -1 0 331.799 3.619 20 0 EHADRM CCOC(=O)C[C@H](C)N(C)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000184354675 1042475857 /nfs/dbraw/zinc/47/58/57/1042475857.db2.gz ODXJEPMUDFSLNE-NSHDSACASA-N -1 0 349.814 3.613 20 0 EHADRM C[C@H](C(=O)NC[C@@H](C(=O)[O-])C1CCC1)c1ccc2ccccc2c1 ZINC000663154930 1042497657 /nfs/dbraw/zinc/49/76/57/1042497657.db2.gz PGDCGZFJMVNLGY-SCLBCKFNSA-N -1 0 325.408 3.560 20 0 EHADRM COCc1ccc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)o1 ZINC000663261253 1042609091 /nfs/dbraw/zinc/60/90/91/1042609091.db2.gz HMPMEFCMOREPTP-CQSZACIVSA-N -1 0 344.194 3.648 20 0 EHADRM CC(C)n1cc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2Cl)cn1 ZINC000663264559 1042610370 /nfs/dbraw/zinc/61/03/70/1042610370.db2.gz WCJGWDNQDWNXPD-AWEZNQCLSA-N -1 0 342.226 3.686 20 0 EHADRM O=C(Cc1noc(-c2ccc3ccccc3c2O)n1)Nc1ccccc1 ZINC000184848983 1042621206 /nfs/dbraw/zinc/62/12/06/1042621206.db2.gz KDPKTLQMISHIAA-UHFFFAOYSA-N -1 0 345.358 3.777 20 0 EHADRM FC(F)(F)c1n[n-]c(=S)n1N=Cc1ccc(Cl)c(Cl)c1 ZINC000254813652 1042634222 /nfs/dbraw/zinc/63/42/22/1042634222.db2.gz YOKJLHZTKNTMEV-UHFFFAOYSA-N -1 0 341.145 3.775 20 0 EHADRM O=C([O-])[C@H](CNC(=O)Nc1cc(Cl)ccc1Cl)C1CCC1 ZINC000663337511 1042719017 /nfs/dbraw/zinc/71/90/17/1042719017.db2.gz BMZPXNPVZGNHFO-SNVBAGLBSA-N -1 0 331.199 3.616 20 0 EHADRM COc1cc(NC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)ccc1F ZINC000186907419 1042725380 /nfs/dbraw/zinc/72/53/80/1042725380.db2.gz PJIRZKALSDXLTQ-GOSISDBHSA-N -1 0 337.391 3.834 20 0 EHADRM O=C(Nc1ccc(NC[C@H]2CCCO2)c(F)c1)c1c([O-])cccc1F ZINC000186934667 1042727385 /nfs/dbraw/zinc/72/73/85/1042727385.db2.gz RFQKARAZHPKDFQ-GFCCVEGCSA-N -1 0 348.349 3.514 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1ccccc1N1CCCC1 ZINC000186980167 1042736330 /nfs/dbraw/zinc/73/63/30/1042736330.db2.gz GWOQOVLVOXIICL-UHFFFAOYSA-N -1 0 348.493 3.810 20 0 EHADRM O=C(NC1(c2ccc(F)cc2F)CCC1)c1cc(F)c([O-])c(F)c1 ZINC000186979359 1042736423 /nfs/dbraw/zinc/73/64/23/1042736423.db2.gz FHVIVNUXTKJBTB-UHFFFAOYSA-N -1 0 339.288 3.758 20 0 EHADRM CCC(=O)c1cccc(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)c1 ZINC000663349303 1042739462 /nfs/dbraw/zinc/73/94/62/1042739462.db2.gz HHNPMYLCTCIOOT-ZDUSSCGKSA-N -1 0 334.416 3.538 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)Nc1ccc(-c2ccco2)cc1F)C1CCC1 ZINC000663369112 1042761550 /nfs/dbraw/zinc/76/15/50/1042761550.db2.gz RONJBYCOYWWFQW-ZDUSSCGKSA-N -1 0 346.358 3.708 20 0 EHADRM Cc1csc([C@H](C)/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000067734961 1042780652 /nfs/dbraw/zinc/78/06/52/1042780652.db2.gz RIPHBZHUCQLUPF-PDMWYYABSA-N -1 0 325.777 3.899 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1nccc2sccc21 ZINC000187032997 1042807566 /nfs/dbraw/zinc/80/75/66/1042807566.db2.gz LJUQPXVZPWMMPI-UHFFFAOYSA-N -1 0 336.463 3.819 20 0 EHADRM O=C([O-])CC1(CNC(=O)/C=C\c2ccc(Cl)s2)CCCCC1 ZINC000314581373 1042823678 /nfs/dbraw/zinc/82/36/78/1042823678.db2.gz AIIYLEYVKIRYEA-ALCCZGGFSA-N -1 0 341.860 3.956 20 0 EHADRM FC(F)c1n[n-]c(=NCc2ccc(OCc3ccccc3)cc2)o1 ZINC000432331710 1042937573 /nfs/dbraw/zinc/93/75/73/1042937573.db2.gz PPIZGSOHFSOSOJ-UHFFFAOYSA-N -1 0 331.322 3.620 20 0 EHADRM Cc1ccc2cc(Cl)cc(C(=O)N3CCC[C@H](C)[C@H]3C(=O)[O-])c2n1 ZINC000647743625 1042959693 /nfs/dbraw/zinc/95/96/93/1042959693.db2.gz RFAVEAWNJZPKBG-QFYYESIMSA-N -1 0 346.814 3.522 20 0 EHADRM O=C([O-])[C@H](CC(=O)NC[C@@H](c1ccccc1)C1CC1)c1ccccc1 ZINC000644847682 1042967809 /nfs/dbraw/zinc/96/78/09/1042967809.db2.gz RCQHNPMFKPGXHF-MOPGFXCFSA-N -1 0 337.419 3.555 20 0 EHADRM O=C([O-])[C@@H](CC(F)(F)F)NC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000314374133 1042978594 /nfs/dbraw/zinc/97/85/94/1042978594.db2.gz AAZUVQQAPCMBBX-MRVPVSSYSA-N -1 0 345.104 3.521 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2cnccc2-c2ccccc2)c1 ZINC000432350453 1042986692 /nfs/dbraw/zinc/98/66/92/1042986692.db2.gz ZCUGPQZISNFSQW-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM COCCSc1ccc([C@@H](C)N=c2[n-]nc(C3CC3)s2)cc1 ZINC000432358320 1042994433 /nfs/dbraw/zinc/99/44/33/1042994433.db2.gz PDYMTRSGBGPPPV-LLVKDONJSA-N -1 0 335.498 3.749 20 0 EHADRM CCOC(=O)CCc1c(C)[n-]n(-c2ccc(Cl)c(Cl)c2)c1=O ZINC000315438536 1042999139 /nfs/dbraw/zinc/99/91/39/1042999139.db2.gz YTHMGAORPIRJLQ-LLVKDONJSA-N -1 0 343.210 3.675 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)c2ccc(OC(C)(C)C)cn2)s1 ZINC000432412352 1043116839 /nfs/dbraw/zinc/11/68/39/1043116839.db2.gz BOOHGCKOQPCPMM-UHFFFAOYSA-N -1 0 348.472 3.517 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)Nc1ccc(F)c(F)c1 ZINC000323979373 1043186959 /nfs/dbraw/zinc/18/69/59/1043186959.db2.gz DXURHWUHQFCYQP-AWEZNQCLSA-N -1 0 326.343 3.510 20 0 EHADRM CCc1cc(=O)[nH]c(CN(C)Cc2cccc(Cl)c2Cl)n1 ZINC000344349656 1043706239 /nfs/dbraw/zinc/70/62/39/1043706239.db2.gz LBKFBZOEVXUEQI-UHFFFAOYSA-N -1 0 326.227 3.683 20 0 EHADRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1cccc(CC#N)c1 ZINC000147616509 1044381539 /nfs/dbraw/zinc/38/15/39/1044381539.db2.gz SXEGPGIZVOQUDK-KRWDZBQOSA-N -1 0 341.370 3.748 20 0 EHADRM O=C(Nc1cccc2ncccc21)c1nn(-c2ccccc2F)cc1[O-] ZINC000344818932 1044468788 /nfs/dbraw/zinc/46/87/88/1044468788.db2.gz VOPGZPKROXIENU-UHFFFAOYSA-N -1 0 348.337 3.518 20 0 EHADRM CC(C)[C@@H](NC(=O)Nc1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC000324629450 1044488914 /nfs/dbraw/zinc/48/89/14/1044488914.db2.gz UFLJIBXPGZHRIG-MRXNPFEDSA-N -1 0 328.368 3.710 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)COc1cccc(C(C)C)c1 ZINC000261620648 1044717026 /nfs/dbraw/zinc/71/70/26/1044717026.db2.gz CDJDYGAEKFDGLB-UHFFFAOYSA-N -1 0 327.380 3.834 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)Nc3ccc(OCC(=O)[O-])cc3)cc2C1 ZINC000261626390 1044763268 /nfs/dbraw/zinc/76/32/68/1044763268.db2.gz GUCOXAZOVDXBLK-LLVKDONJSA-N -1 0 345.420 3.589 20 0 EHADRM O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1cc(F)cc(Cl)c1[O-] ZINC000123951364 1044873031 /nfs/dbraw/zinc/87/30/31/1044873031.db2.gz CFROEVNIWMWRNO-GFCCVEGCSA-N -1 0 341.810 3.796 20 0 EHADRM Cc1cnc([C@@H](NC(=O)c2cc(F)cc(Cl)c2[O-])C2CC2)s1 ZINC000154677886 1125744630 /nfs/dbraw/zinc/74/46/30/1125744630.db2.gz OZHZOYJMIKXVSY-LBPRGKRZSA-N -1 0 340.807 3.831 20 0 EHADRM CC[C@@H](CNC(=O)[C@](C)(CC(=O)[O-])CC(C)C)CC(F)(F)F ZINC000634842753 1125769759 /nfs/dbraw/zinc/76/97/59/1125769759.db2.gz WLDNGMKRPNONGO-RISCZKNCSA-N -1 0 325.371 3.608 20 0 EHADRM CCNC(=O)Nc1c(C)cccc1NC(=O)c1ccc([O-])c(Cl)c1 ZINC000622682521 1126741944 /nfs/dbraw/zinc/74/19/44/1126741944.db2.gz CQIGEISZNDDUTA-UHFFFAOYSA-N -1 0 347.802 3.748 20 0 EHADRM O=C([O-])c1ccc2c(c1)CC[N@@H+](CCSCc1ccccc1)C2 ZINC000901668668 1126766648 /nfs/dbraw/zinc/76/66/48/1126766648.db2.gz HPDFRDURACWKOM-UHFFFAOYSA-N -1 0 327.449 3.676 20 0 EHADRM C[C@]1(CNC(=O)c2cc(F)c(F)c([O-])c2F)CCCc2ccccc21 ZINC000542637098 1126812637 /nfs/dbraw/zinc/81/26/37/1126812637.db2.gz KHGWYIHOBRJIPU-LJQANCHMSA-N -1 0 349.352 3.834 20 0 EHADRM CC1(c2ccccc2)CN(C(=O)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000623034810 1126860987 /nfs/dbraw/zinc/86/09/87/1126860987.db2.gz FWNCAGNHJGUUBW-UHFFFAOYSA-N -1 0 335.325 3.825 20 0 EHADRM Cc1occc1C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000174916073 1126863124 /nfs/dbraw/zinc/86/31/24/1126863124.db2.gz YBKHCWFTTQZOCO-UHFFFAOYSA-N -1 0 330.565 3.962 20 0 EHADRM O=C(NC[C@@H]1CCc2cccnc21)c1c([O-])cc(Cl)cc1Cl ZINC000623314637 1126913135 /nfs/dbraw/zinc/91/31/35/1126913135.db2.gz GDYTUNUTJBKVMI-JTQLQIEISA-N -1 0 337.206 3.554 20 0 EHADRM C[C@H]1CCCC[C@@H]1OCC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000073086991 1126999381 /nfs/dbraw/zinc/99/93/81/1126999381.db2.gz IFIQBARNJFCYEQ-FZMZJTMJSA-N -1 0 345.848 3.581 20 0 EHADRM Cn1cncc1-c1noc(-c2cc(Cl)c3ccccc3c2[O-])n1 ZINC000350879255 1127112884 /nfs/dbraw/zinc/11/28/84/1127112884.db2.gz GEOSGHQQYPKTES-UHFFFAOYSA-N -1 0 326.743 3.649 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2nc(C)c(Cl)cc2Cl)c1F ZINC000181063017 1127265500 /nfs/dbraw/zinc/26/55/00/1127265500.db2.gz ZGOTXVQQGYTWQL-UHFFFAOYSA-N -1 0 349.214 3.945 20 0 EHADRM CCCOC1(CNC(=O)c2cc(F)c(F)c([O-])c2F)CCCCC1 ZINC000183041848 1127360132 /nfs/dbraw/zinc/36/01/32/1127360132.db2.gz UKBPSYTVMUWKRN-UHFFFAOYSA-N -1 0 345.361 3.669 20 0 EHADRM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2cnc(Cl)cc2C)c1 ZINC000764550132 1127505972 /nfs/dbraw/zinc/50/59/72/1127505972.db2.gz IHMHOKJJPKMQAH-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM CCC[C@H](C(=O)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl)C(C)C ZINC000764686367 1127522631 /nfs/dbraw/zinc/52/26/31/1127522631.db2.gz SMYKDJCJDBEKSA-NSHDSACASA-N -1 0 349.855 3.665 20 0 EHADRM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccsc3)cc2)oc1C ZINC000671658591 1127764768 /nfs/dbraw/zinc/76/47/68/1127764768.db2.gz PMXWBSLIKXQQGU-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM CC(C)(CC(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000521105641 1127766507 /nfs/dbraw/zinc/76/65/07/1127766507.db2.gz PIQFUYMAHMTNIX-UHFFFAOYSA-N -1 0 332.227 3.846 20 0 EHADRM COc1ccc(C(=O)Nc2nc3cc(F)c(F)cc3s2)c(O)c1 ZINC000058779215 1128080124 /nfs/dbraw/zinc/08/01/24/1128080124.db2.gz WKBCMSVROFRKHX-UHFFFAOYSA-N -1 0 336.319 3.541 20 0 EHADRM CSCc1ccc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000066965948 1128230873 /nfs/dbraw/zinc/23/08/73/1128230873.db2.gz RGOURDWZHHXDLG-LJQANCHMSA-N -1 0 343.448 3.921 20 0 EHADRM CC(C)n1ccc(Nc2c(O)cc(S(=O)(=O)[O-])c3ccccc32)c1 ZINC001203166940 1128343131 /nfs/dbraw/zinc/34/31/31/1128343131.db2.gz RUBMJUIWZLBEMJ-UHFFFAOYSA-N -1 0 346.408 3.918 20 0 EHADRM O=C([N-]S(=O)(=O)CC1CC1)C(c1ccccc1)c1ccccc1 ZINC000073538121 1128395184 /nfs/dbraw/zinc/39/51/84/1128395184.db2.gz MUNQRURNROVZKP-UHFFFAOYSA-N -1 0 329.421 3.515 20 0 EHADRM CCCN(C(=O)NC[C@@H](C)C(=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000655889218 1128520897 /nfs/dbraw/zinc/52/08/97/1128520897.db2.gz SWKNKZBEZGJCPL-CHWSQXEVSA-N -1 0 332.400 3.636 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ccccc2OC(C)C)c(C)c1 ZINC000055590308 1128524211 /nfs/dbraw/zinc/52/42/11/1128524211.db2.gz ZSDGICKOZPCUIS-UHFFFAOYSA-N -1 0 335.425 3.592 20 0 EHADRM Cc1cc(C)cc(CN(C)C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000655904830 1128531609 /nfs/dbraw/zinc/53/16/09/1128531609.db2.gz YLPAYICIWMZVQX-BHYGNILZSA-N -1 0 346.471 3.580 20 0 EHADRM O=C(Cc1cccc(OC(F)F)c1)Nc1cc(F)cc(Cl)c1[O-] ZINC000474424109 1128564002 /nfs/dbraw/zinc/56/40/02/1128564002.db2.gz CLFAOFJNOIQWKZ-UHFFFAOYSA-N -1 0 345.704 3.967 20 0 EHADRM CCOc1ccc([C@H](C)N=c2nc(C(C)(C)C)o[n-]2)cc1OCC ZINC000542772128 1128597780 /nfs/dbraw/zinc/59/77/80/1128597780.db2.gz UHUWFSPWEDRFSV-LBPRGKRZSA-N -1 0 333.432 3.760 20 0 EHADRM O=S(=O)([N-]c1ccccc1N1CCCC1)c1ccccc1Cl ZINC000072576989 1128727870 /nfs/dbraw/zinc/72/78/70/1128727870.db2.gz HXHXBZRBBYANKD-UHFFFAOYSA-N -1 0 336.844 3.741 20 0 EHADRM COc1cc(NC(=O)CC(C)(C)C(=O)[O-])c(C2CC2)cc1Cl ZINC000656249541 1128836400 /nfs/dbraw/zinc/83/64/00/1128836400.db2.gz YYGNHKCUBGHGKF-UHFFFAOYSA-N -1 0 325.792 3.665 20 0 EHADRM CN1Cc2c(C(=O)[O-])c3ccccc3nc2/C(=C/c2ccccc2)C1 ZINC000007749395 1128882247 /nfs/dbraw/zinc/88/22/47/1128882247.db2.gz DIWDQGNPFGCAFQ-RVDMUPIBSA-N -1 0 330.387 3.919 20 0 EHADRM CCC1(CC)CCCN(S(=O)(=O)c2cccc(Cl)c2[O-])C1 ZINC001670359928 1120020113 /nfs/dbraw/zinc/02/01/13/1120020113.db2.gz SJBSSKAZIGANJJ-UHFFFAOYSA-N -1 0 331.865 3.637 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c(C)n1 ZINC000128766441 1120033340 /nfs/dbraw/zinc/03/33/40/1120033340.db2.gz MHFDGOMTFFGXOW-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM CC[C@@H](NC(=O)c1cc2c(cc1O)OCO2)c1cc(C)ccc1C ZINC001648850315 1120053510 /nfs/dbraw/zinc/05/35/10/1120053510.db2.gz GKQURCQVKVYPMC-OAHLLOKOSA-N -1 0 327.380 3.619 20 0 EHADRM CCCOCc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[n-]1 ZINC000063580019 1128887609 /nfs/dbraw/zinc/88/76/09/1128887609.db2.gz QORQMGSLZKSPGT-UHFFFAOYSA-N -1 0 330.409 3.587 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc([O-])c(Cl)c2)[C@@H](c2ccccc2)CO1 ZINC000086337384 1120103809 /nfs/dbraw/zinc/10/38/09/1120103809.db2.gz OMBXZTWFOQQUTJ-BLLLJJGKSA-N -1 0 331.799 3.648 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c(C)n1 ZINC000160680613 1120209544 /nfs/dbraw/zinc/20/95/44/1120209544.db2.gz PDVMDAKLPJITGQ-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM O=C(c1ccc(F)cc1[O-])N1CCc2cc(C(F)(F)F)ccc2C1 ZINC001648959035 1120280259 /nfs/dbraw/zinc/28/02/59/1120280259.db2.gz VXXJSETZCFEPRZ-UHFFFAOYSA-N -1 0 339.288 3.749 20 0 EHADRM Cc1ccc(S(=O)(=O)C=C([O-])c2ccc3c(c2)CCCC3)cc1C ZINC000491954925 1120370100 /nfs/dbraw/zinc/37/01/00/1120370100.db2.gz KCFLKCFCGYJLCK-UHFFFAOYSA-N -1 0 342.460 3.839 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c(C)c1 ZINC000185208859 1120403944 /nfs/dbraw/zinc/40/39/44/1120403944.db2.gz NJTTXMRWMVNOJD-UHFFFAOYSA-N -1 0 348.399 3.815 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2C)cc1 ZINC000152588246 1120555234 /nfs/dbraw/zinc/55/52/34/1120555234.db2.gz CRTPAQBIADEKNX-UHFFFAOYSA-N -1 0 341.436 3.544 20 0 EHADRM C/C(=C/c1ccccc1)CN(C)C(=O)N=c1[n-]nc(C(C)(C)C)s1 ZINC000494577628 1120604602 /nfs/dbraw/zinc/60/46/02/1120604602.db2.gz JWFQXIYHUYEMKM-QBFSEMIESA-N -1 0 344.484 3.825 20 0 EHADRM Cn1ccc2cccc([N-]S(=O)(=O)c3ccc(Cl)s3)c21 ZINC000190856025 1120652404 /nfs/dbraw/zinc/65/24/04/1120652404.db2.gz LGOYOPNTLBCWIB-UHFFFAOYSA-N -1 0 326.830 3.694 20 0 EHADRM Cc1csc([C@@H](C)CNC(=O)c2cc(O)c3ccccc3c2)n1 ZINC000355798675 1128936907 /nfs/dbraw/zinc/93/69/07/1128936907.db2.gz BRDJHABWOXKHSK-NSHDSACASA-N -1 0 326.421 3.844 20 0 EHADRM C[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1ccccc1Cl ZINC000193911130 1120807970 /nfs/dbraw/zinc/80/79/70/1120807970.db2.gz KOJVFVLDNUFWIR-SSDOTTSWSA-N -1 0 329.705 3.954 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000226598522 1120822520 /nfs/dbraw/zinc/82/25/20/1120822520.db2.gz MPYDMVMFSXAIHU-IIMNLJJBSA-N -1 0 342.222 3.851 20 0 EHADRM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1nc(C2CC2)cs1 ZINC000229349885 1120959690 /nfs/dbraw/zinc/95/96/90/1120959690.db2.gz JNJCNRBPWWADFA-UHFFFAOYSA-N -1 0 326.418 3.577 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)CCc3ccccc3O)ccc2s1 ZINC000914841884 1120999012 /nfs/dbraw/zinc/99/90/12/1120999012.db2.gz ZGWXWLLEORKMPA-UHFFFAOYSA-N -1 0 341.388 3.876 20 0 EHADRM O=C(Nc1cc(Br)c(F)cc1F)c1c([O-])cccc1F ZINC000230418003 1121003629 /nfs/dbraw/zinc/00/36/29/1121003629.db2.gz FTENQROGCXEJAS-UHFFFAOYSA-N -1 0 346.102 3.824 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)C1=Cc2cc(F)ccc2OC1 ZINC000761889407 1121005786 /nfs/dbraw/zinc/00/57/86/1121005786.db2.gz LROOTTHCKRSHEN-UHFFFAOYSA-N -1 0 342.351 3.670 20 0 EHADRM Cc1coc2ccc([N-]S(=O)(=O)c3cnc(Cl)c(F)c3)cc12 ZINC000761976045 1121022415 /nfs/dbraw/zinc/02/24/15/1121022415.db2.gz JLEHGZQPRVXWSE-UHFFFAOYSA-N -1 0 340.763 3.730 20 0 EHADRM O=C(Nc1ccc(Cl)cc1O)c1ccc(Br)c([O-])c1 ZINC000495366201 1121137388 /nfs/dbraw/zinc/13/73/88/1121137388.db2.gz XMNZVXKTTMRFDB-UHFFFAOYSA-N -1 0 342.576 3.766 20 0 EHADRM O=C(NCC1(c2ccc(F)cc2F)CCCC1)C(F)(F)C(F)F ZINC001128243183 1128985057 /nfs/dbraw/zinc/98/50/57/1128985057.db2.gz XGPSZRRHTUJISV-UHFFFAOYSA-N -1 0 339.279 3.793 20 0 EHADRM Cc1cccc(-c2noc(COC(=O)c3ccc([O-])c(Cl)c3)n2)c1 ZINC000762832614 1121452665 /nfs/dbraw/zinc/45/26/65/1121452665.db2.gz SFEAADULOQHVCF-UHFFFAOYSA-N -1 0 344.754 3.761 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cccc(OC2CCCCC2)c1 ZINC000236939663 1121469457 /nfs/dbraw/zinc/46/94/57/1121469457.db2.gz LUXFJIFWXVLGKT-AWEZNQCLSA-N -1 0 333.428 3.723 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000236942741 1121469486 /nfs/dbraw/zinc/46/94/86/1121469486.db2.gz XPAAODPGVACPCF-MSOLQXFVSA-N -1 0 331.456 3.653 20 0 EHADRM C[C@H](CC(=O)NC[C@H](Cc1ccccc1)C(=O)[O-])C1CCCCC1 ZINC000237653284 1121490523 /nfs/dbraw/zinc/49/05/23/1121490523.db2.gz IINSWBVRPNZPKC-QAPCUYQASA-N -1 0 331.456 3.653 20 0 EHADRM Cc1ccc(CSCC(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000237757634 1121493620 /nfs/dbraw/zinc/49/36/20/1121493620.db2.gz DZNQPQHMSDUNMA-UHFFFAOYSA-N -1 0 329.421 3.874 20 0 EHADRM O=C([O-])CNC(=O)c1cc(Cl)ccc1Oc1cccc(Cl)c1 ZINC000238194424 1121505926 /nfs/dbraw/zinc/50/59/26/1121505926.db2.gz LBFTYOZGUMWXBA-UHFFFAOYSA-N -1 0 340.162 3.600 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccc(Cl)c3cccnc23)c1 ZINC000322186024 1121518572 /nfs/dbraw/zinc/51/85/72/1121518572.db2.gz AJWCMNPOBDNGTB-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM C[C@H](Oc1cccc(F)c1)C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000762968279 1121619273 /nfs/dbraw/zinc/61/92/73/1121619273.db2.gz VEQLIFDXASPHHL-VIFPVBQESA-N -1 0 332.356 3.662 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2nc(-c3ccccc3)cs2)c1 ZINC000915855574 1121692596 /nfs/dbraw/zinc/69/25/96/1121692596.db2.gz ZECHMVFLWZTPOZ-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM O=S(=O)([N-]c1cc(-c2ccccc2)[nH]n1)c1ccc(Cl)s1 ZINC000033624946 1121698643 /nfs/dbraw/zinc/69/86/43/1121698643.db2.gz IQLUXEVMECLTAO-UHFFFAOYSA-N -1 0 339.829 3.592 20 0 EHADRM Cc1nc(-c2cccc([N-]S(=O)(=O)c3cccs3)c2)oc1C ZINC000054294035 1121751626 /nfs/dbraw/zinc/75/16/26/1121751626.db2.gz KVNLYEIWFDUOOR-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM O=C(Nc1c2c(cc3c1CCC3)CCC2)c1cc(F)c([O-])c(F)c1 ZINC000436819163 1121829227 /nfs/dbraw/zinc/82/92/27/1121829227.db2.gz XGTDIVUEXSXONA-UHFFFAOYSA-N -1 0 329.346 3.900 20 0 EHADRM O=S(=O)([N-]c1ccc(OCc2ccccc2)nc1)c1cccs1 ZINC000055639822 1121848597 /nfs/dbraw/zinc/84/85/97/1121848597.db2.gz FDRKNNSIESKTIL-UHFFFAOYSA-N -1 0 346.433 3.523 20 0 EHADRM O=C([O-])CC1(CC(=O)N[C@H](c2ccco2)c2ccccc2)CCCC1 ZINC000326611093 1121970298 /nfs/dbraw/zinc/97/02/98/1121970298.db2.gz LSFBKYPTEMKFDL-IBGZPJMESA-N -1 0 341.407 3.910 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)c2csc3ccccc23)c1 ZINC000916171287 1122087247 /nfs/dbraw/zinc/08/72/47/1122087247.db2.gz MNQKFLDVGHGTCC-UHFFFAOYSA-N -1 0 345.445 3.637 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)c1 ZINC000123926237 1122268240 /nfs/dbraw/zinc/26/82/40/1122268240.db2.gz CCAYDFZFSPUNLJ-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM CCN(C(=O)c1nn(-c2ccc(F)cc2)cc1[O-])c1cccc(C)c1 ZINC000499582111 1129044911 /nfs/dbraw/zinc/04/49/11/1129044911.db2.gz BFVTXPHYZAAMJH-UHFFFAOYSA-N -1 0 339.370 3.692 20 0 EHADRM CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(C)ccc2O)c1 ZINC000126024631 1122380674 /nfs/dbraw/zinc/38/06/74/1122380674.db2.gz ACJMFMHGFHNIGZ-UHFFFAOYSA-N -1 0 332.787 3.955 20 0 EHADRM Cc1ccc(C(=O)/C(C#N)=C\c2cccc(O[C@H](C)C(=O)[O-])c2)cc1 ZINC000154278060 1122488260 /nfs/dbraw/zinc/48/82/60/1122488260.db2.gz ICAZSNDNGSPOGH-AYCSXLNKSA-N -1 0 335.359 3.637 20 0 EHADRM C[C@H]1CCc2c(sc3[nH]c(-c4ccc([O-])c(F)c4)nc(=O)c23)C1 ZINC000128636567 1122639660 /nfs/dbraw/zinc/63/96/60/1122639660.db2.gz BRELDAAKHJSAGV-QMMMGPOBSA-N -1 0 330.384 3.621 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c(C)n1 ZINC000128687466 1122647685 /nfs/dbraw/zinc/64/76/85/1122647685.db2.gz RVPBBAQBMHYATB-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM Cc1csc2nc(-c3nc(OC(C)C)ccc3Cl)[n-]c(=O)c12 ZINC000068463106 1122652704 /nfs/dbraw/zinc/65/27/04/1122652704.db2.gz JNOOAEVZBWDWLG-UHFFFAOYSA-N -1 0 335.816 3.796 20 0 EHADRM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)c1ccccc1 ZINC000917841528 1122692231 /nfs/dbraw/zinc/69/22/31/1122692231.db2.gz UIWSOYXWQCNFMI-CYBMUJFWSA-N -1 0 347.436 3.548 20 0 EHADRM CCc1nc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)sc1C ZINC000917927249 1122708264 /nfs/dbraw/zinc/70/82/64/1122708264.db2.gz PTHFHNRJIKPXTH-UHFFFAOYSA-N -1 0 334.466 3.743 20 0 EHADRM CCCOc1ccc(S(=O)(=O)Nc2ccc3[nH]ccc3c2)cc1 ZINC000497945106 1122709940 /nfs/dbraw/zinc/70/99/40/1122709940.db2.gz WEJXVFYFVQCOND-UHFFFAOYSA-N -1 0 330.409 3.758 20 0 EHADRM CCC[C@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccc(F)cc1F ZINC000262695312 1122729323 /nfs/dbraw/zinc/72/93/23/1122729323.db2.gz GBQDANMHQLCZPJ-MKBNYLNASA-N -1 0 339.382 3.813 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000918595021 1122861633 /nfs/dbraw/zinc/86/16/33/1122861633.db2.gz KYPMPFPIUGRGGX-TWGQIWQCSA-N -1 0 330.409 3.925 20 0 EHADRM COc1cc2c(c(CNc3ccc(C)c(C(=O)[O-])c3)c1)O[C@@H](C)C2 ZINC000556322539 1122928565 /nfs/dbraw/zinc/92/85/65/1122928565.db2.gz QFICXGBFDLAEKJ-LBPRGKRZSA-N -1 0 327.380 3.637 20 0 EHADRM O=C(N=c1nc(Cc2ccccc2)[n-]s1)[C@H](c1ccccc1)C1CC1 ZINC000499039061 1123163483 /nfs/dbraw/zinc/16/34/83/1123163483.db2.gz MLJYSTWRHKZBSA-GOSISDBHSA-N -1 0 349.459 3.683 20 0 EHADRM CC(C)(C(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000236729450 1123458599 /nfs/dbraw/zinc/45/85/99/1123458599.db2.gz LNDNIWUWPBAUHG-UHFFFAOYSA-N -1 0 347.798 3.720 20 0 EHADRM CCC(CC)(CNC(=O)c1ccccc1Cc1ccccc1)C(=O)[O-] ZINC000236883343 1123480394 /nfs/dbraw/zinc/48/03/94/1123480394.db2.gz XGWCLNKLVFPPJE-UHFFFAOYSA-N -1 0 339.435 3.898 20 0 EHADRM CC[C@@H](NC(=O)CC1(C(=O)[O-])CCCCC1)c1ccc(OC)cc1 ZINC000013467972 1129125614 /nfs/dbraw/zinc/12/56/14/1129125614.db2.gz FIRAGPSFNXHLAF-MRXNPFEDSA-N -1 0 333.428 3.688 20 0 EHADRM C[C@@H]1CCC[C@@H](CC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)C1 ZINC000237580225 1123525931 /nfs/dbraw/zinc/52/59/31/1123525931.db2.gz OTSXPPUSCCZPKW-VXGBXAGGSA-N -1 0 339.819 3.958 20 0 EHADRM Cc1ccc(C(C)(C)C)cc1S([O-])=CC(=O)N1CCCCCC1 ZINC000609359882 1123562169 /nfs/dbraw/zinc/56/21/69/1123562169.db2.gz WIPWUVVHEVUXRG-QHCPKHFHSA-N -1 0 335.513 3.803 20 0 EHADRM CC(C)Cc1nc(=N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)s[n-]1 ZINC000543032854 1129132458 /nfs/dbraw/zinc/13/24/58/1129132458.db2.gz YFUXPQBMRVAEAM-GJZGRUSLSA-N -1 0 335.448 3.630 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)N3CC[C@H](C)c4ccccc43)cc2=O)cc1 ZINC000081265578 1123783747 /nfs/dbraw/zinc/78/37/47/1123783747.db2.gz GTLZTDRXHNNHSX-HNNXBMFYSA-N -1 0 347.418 3.628 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000237660175 1123807287 /nfs/dbraw/zinc/80/72/87/1123807287.db2.gz MDGFOEQYLPUDLH-YRYLYKBFSA-N -1 0 343.810 3.994 20 0 EHADRM O=C(NCCc1csc2ccccc12)c1c([O-])cc(F)cc1F ZINC000195726374 1123819564 /nfs/dbraw/zinc/81/95/64/1123819564.db2.gz NXKCPXRUZJISKW-UHFFFAOYSA-N -1 0 333.359 3.858 20 0 EHADRM Cc1nc(-c2ccccc2)sc1C(=O)NCCCCCCC(=O)[O-] ZINC000237710499 1123824564 /nfs/dbraw/zinc/82/45/64/1123824564.db2.gz NOHPFDCDYKOEMJ-UHFFFAOYSA-N -1 0 346.452 3.883 20 0 EHADRM CCC[C@H](NC(=O)N=c1[n-]nc(C(C)(C)C)s1)c1ccccc1 ZINC000615567740 1123827864 /nfs/dbraw/zinc/82/78/64/1123827864.db2.gz XEZCKROMIYJTJA-ZDUSSCGKSA-N -1 0 332.473 3.920 20 0 EHADRM Cc1cc2ccccc2n1CC(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000237813761 1123868765 /nfs/dbraw/zinc/86/87/65/1123868765.db2.gz AFVHYTIQUPVRNJ-DHZHZOJOSA-N -1 0 334.375 3.686 20 0 EHADRM CC(C)c1cc(CNS(=O)(=O)c2cc(Cl)cc(Cl)c2)on1 ZINC000114499212 1129152303 /nfs/dbraw/zinc/15/23/03/1129152303.db2.gz MZBUPUKHQNZJFZ-UHFFFAOYSA-N -1 0 349.239 3.583 20 0 EHADRM Cc1cc2occ(CC(=O)N3CCCC[C@H]3CCC(=O)[O-])c2cc1C ZINC000237913866 1123915739 /nfs/dbraw/zinc/91/57/39/1123915739.db2.gz AXDIHGPDOKHVKX-INIZCTEOSA-N -1 0 343.423 3.838 20 0 EHADRM O=C(c1ccc2oc(=O)nc-2[n-]1)N1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000616193172 1123960840 /nfs/dbraw/zinc/96/08/40/1123960840.db2.gz XXTLOETZQRYYEG-MRXNPFEDSA-N -1 0 349.390 3.686 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000245858736 1123963488 /nfs/dbraw/zinc/96/34/88/1123963488.db2.gz BEZVERVRRNPSMB-XJKCOSOUSA-N -1 0 343.402 3.510 20 0 EHADRM Cc1cccc(NC(=S)N[N-]C(=O)c2cc3cccc(F)c3o2)c1 ZINC000075565046 1123977785 /nfs/dbraw/zinc/97/77/85/1123977785.db2.gz OBLGZFBYKQJWQJ-UHFFFAOYSA-N -1 0 343.383 3.512 20 0 EHADRM CCOc1cccc(/C=C/C(=O)c2cccc(O[C@H](C)C(=O)[O-])c2)c1 ZINC000068726369 1124010917 /nfs/dbraw/zinc/01/09/17/1124010917.db2.gz HQCQGGACPMDPNJ-PLSXKVAHSA-N -1 0 340.375 3.833 20 0 EHADRM C=CCCC[C@@H](C)NC(=O)N[N-]C(=O)c1c(Cl)cccc1Cl ZINC000180691804 1124051791 /nfs/dbraw/zinc/05/17/91/1124051791.db2.gz ZUMSBZGFRVJATF-SNVBAGLBSA-N -1 0 344.242 3.682 20 0 EHADRM C[C@@H](C(=O)NCCCCCCCC(=O)[O-])c1c(F)cccc1F ZINC000263547065 1124076311 /nfs/dbraw/zinc/07/63/11/1124076311.db2.gz UOKMRHGMINJMQQ-GFCCVEGCSA-N -1 0 327.371 3.610 20 0 EHADRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(-c2cccc(C(C)C)c2)o1 ZINC000181101192 1124525350 /nfs/dbraw/zinc/52/53/50/1124525350.db2.gz ODZYSOUZOYRUJI-INIZCTEOSA-N -1 0 338.407 3.917 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cc3ccccc3o2)cc1F ZINC000084920300 1124604394 /nfs/dbraw/zinc/60/43/94/1124604394.db2.gz CGGPWQPGZFZSEB-UHFFFAOYSA-N -1 0 335.356 3.771 20 0 EHADRM O=S(=O)([N-]c1cc(F)c(F)c(F)c1)c1cc2ccccc2o1 ZINC000084920760 1124604468 /nfs/dbraw/zinc/60/44/68/1124604468.db2.gz RHGQTKWHXOFRLI-UHFFFAOYSA-N -1 0 327.283 3.651 20 0 EHADRM O=C(C=C(C1CC1)C1CC1)[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000069594182 1124922344 /nfs/dbraw/zinc/92/23/44/1124922344.db2.gz BABOZSMLNPZARH-UHFFFAOYSA-N -1 0 342.420 3.626 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)NN=c2[n-]c(C(F)(F)F)cs2)cc1 ZINC000181828341 1125055625 /nfs/dbraw/zinc/05/56/25/1125055625.db2.gz MGDTUINANZDOOO-JTQLQIEISA-N -1 0 343.374 3.792 20 0 EHADRM C[C@H](NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)[C@@H]1CC2CCC1CC2 ZINC000382286526 1125075749 /nfs/dbraw/zinc/07/57/49/1125075749.db2.gz ZVPUHUGVWABPLF-BAFXNKRLSA-N -1 0 343.467 3.750 20 0 EHADRM C[C@H](NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])c1ccccc1 ZINC000618489447 1125095702 /nfs/dbraw/zinc/09/57/02/1125095702.db2.gz FDBCBBOVEZBAKO-LBPRGKRZSA-N -1 0 341.798 3.722 20 0 EHADRM Cc1ccc(CC2CN(C(=O)c3cc(F)cc(Cl)c3[O-])C2)cc1 ZINC000618890588 1125228682 /nfs/dbraw/zinc/22/86/82/1125228682.db2.gz YHPAOQHLWUVSFV-UHFFFAOYSA-N -1 0 333.790 3.808 20 0 EHADRM O=C(/C=C\C1CCCC1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000842676921 1125242919 /nfs/dbraw/zinc/24/29/19/1125242919.db2.gz QMOIPPPRFCPKCF-HJWRWDBZSA-N -1 0 348.251 3.545 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000619200699 1125314308 /nfs/dbraw/zinc/31/43/08/1125314308.db2.gz DAQSVRMHFZLOTK-IAQYHMDHSA-N -1 0 341.810 3.606 20 0 EHADRM CC[C@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000182582114 1125333890 /nfs/dbraw/zinc/33/38/90/1125333890.db2.gz AFRAWRZMOXHKGC-NKWVEPMBSA-N -1 0 344.285 3.542 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)NCCC(C)(C)c2ccccc2)s1 ZINC000619679477 1125381066 /nfs/dbraw/zinc/38/10/66/1125381066.db2.gz WDYVHBYCPHMUKE-UHFFFAOYSA-N -1 0 346.500 3.747 20 0 EHADRM CN(c1ccccc1)[C@H]1CCN(C(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000619995998 1125448659 /nfs/dbraw/zinc/44/86/59/1125448659.db2.gz GDMXTXOACYNXDO-AWEZNQCLSA-N -1 0 348.805 3.536 20 0 EHADRM O=C(c1n[n-]c2ccccc2c1=O)N(Cc1ccco1)c1ccccc1 ZINC000735656951 1131370224 /nfs/dbraw/zinc/37/02/24/1131370224.db2.gz RNSWKMYQTMOGOD-UHFFFAOYSA-N -1 0 345.358 3.775 20 0 EHADRM C[C@H]1CCC[C@@H](OCCCCCC(=O)N=c2ccc(C3CC3)n[n-]2)C1 ZINC000499732904 1129430938 /nfs/dbraw/zinc/43/09/38/1129430938.db2.gz QVTFTRMFCUFHPJ-DOTOQJQBSA-N -1 0 345.487 3.870 20 0 EHADRM Cc1cc(CNC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)ccc1Cl ZINC000543437143 1129487924 /nfs/dbraw/zinc/48/79/24/1129487924.db2.gz QSDUMJXMKBDCON-IBGZPJMESA-N -1 0 345.826 3.697 20 0 EHADRM C[C@@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000013000386 1129489377 /nfs/dbraw/zinc/48/93/77/1129489377.db2.gz UJTNSTILXGVWSW-WQAKAFBOSA-N -1 0 342.222 3.838 20 0 EHADRM COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cccc(F)c1[O-] ZINC001128507324 1129621241 /nfs/dbraw/zinc/62/12/41/1129621241.db2.gz XUBDGCKLGAJGJL-HNNXBMFYSA-N -1 0 337.778 3.644 20 0 EHADRM O=C([N-]S(=O)(=O)Cc1ccccc1Cl)C1CCCCCCC1 ZINC000751872367 1131393445 /nfs/dbraw/zinc/39/34/45/1131393445.db2.gz TYEGBVSRKHWYML-UHFFFAOYSA-N -1 0 343.876 3.647 20 0 EHADRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc(Cl)c(F)c1 ZINC000509098197 1129747079 /nfs/dbraw/zinc/74/70/79/1129747079.db2.gz JUJVYKPVZXWWAJ-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CC1(C(=O)[O-])CCCC1 ZINC000302795846 1129792469 /nfs/dbraw/zinc/79/24/69/1129792469.db2.gz CZRMGYFXKVHGGB-OAHLLOKOSA-N -1 0 329.440 3.849 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H]1C(=O)Nc1cccc(Cl)c1Br ZINC000300093775 1129826050 /nfs/dbraw/zinc/82/60/50/1129826050.db2.gz WAWIIHSYGDPSJE-HTQZYQBOSA-N -1 0 346.608 3.542 20 0 EHADRM COc1cccc(CN=c2[n-]nc(C3CCCCC3)o2)c1OC(C)C ZINC000347823247 1129883704 /nfs/dbraw/zinc/88/37/04/1129883704.db2.gz WLSPUERQYUFDRU-UHFFFAOYSA-N -1 0 345.443 3.947 20 0 EHADRM CC(C)OC(=O)c1ccc(Nc2ccc(C(=O)[O-])c(F)c2F)cc1 ZINC001212513378 1129924053 /nfs/dbraw/zinc/92/40/53/1129924053.db2.gz NVRZLCGEYNQDAK-UHFFFAOYSA-N -1 0 335.306 3.972 20 0 EHADRM O=C(NCc1ccc(-c2ccccc2)o1)c1cc(F)c(F)c([O-])c1F ZINC000543540218 1129950781 /nfs/dbraw/zinc/95/07/81/1129950781.db2.gz WPYVXNPBABBNNC-UHFFFAOYSA-N -1 0 347.292 4.000 20 0 EHADRM C[C@H](C(=O)N=c1ccc(-c2ccccc2)n[n-]1)c1cccc(Cl)c1 ZINC000466627201 1129992130 /nfs/dbraw/zinc/99/21/30/1129992130.db2.gz JBPVUVXPYPVHQH-ZDUSSCGKSA-N -1 0 337.810 3.961 20 0 EHADRM CCc1cc([N-]S(=O)(=O)c2csc3ccc(Cl)cc23)no1 ZINC000674333976 1130067743 /nfs/dbraw/zinc/06/77/43/1130067743.db2.gz WPPMOWPPMVGJLT-UHFFFAOYSA-N -1 0 342.829 3.906 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N2C3CCCC2CCC3)n1 ZINC000674605187 1130144408 /nfs/dbraw/zinc/14/44/08/1130144408.db2.gz YVHQUOKJAZEARE-UHFFFAOYSA-N -1 0 339.439 3.688 20 0 EHADRM CSc1ccncc1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000674715440 1130179280 /nfs/dbraw/zinc/17/92/80/1130179280.db2.gz PXRRNDJXBAAHED-UHFFFAOYSA-N -1 0 328.846 3.566 20 0 EHADRM COc1cc(C)ccc1[N-]S(=O)(=O)c1cccc2ccc(C)nc21 ZINC000674708364 1130179860 /nfs/dbraw/zinc/17/98/60/1130179860.db2.gz OYIYTHXFVAIOJT-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2ccc(Oc3ccccc3)cc2)CCC1 ZINC000392719109 1130187069 /nfs/dbraw/zinc/18/70/69/1130187069.db2.gz FBWVAJCCGBQDOO-UHFFFAOYSA-N -1 0 340.379 3.855 20 0 EHADRM CC(C)(c1ccc(F)cc1)C1(NC(=O)c2cccc(F)c2[O-])CC1 ZINC001129100243 1130493322 /nfs/dbraw/zinc/49/33/22/1130493322.db2.gz MPCIXQLORWUXPG-UHFFFAOYSA-N -1 0 331.362 3.911 20 0 EHADRM Cc1ccc2oc(C(=O)N(CCC(=O)[O-])Cc3ccccc3)cc2c1 ZINC000675948279 1130508177 /nfs/dbraw/zinc/50/81/77/1130508177.db2.gz ZSJDWFGZTUHGPQ-UHFFFAOYSA-N -1 0 337.375 3.858 20 0 EHADRM CCN(CCC(F)(F)F)C(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000675962352 1130510944 /nfs/dbraw/zinc/51/09/44/1130510944.db2.gz DYKPARPWDFDKBE-JTQLQIEISA-N -1 0 349.374 3.666 20 0 EHADRM O=C([O-])CN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)C1CCCCC1 ZINC000675994017 1130517396 /nfs/dbraw/zinc/51/73/96/1130517396.db2.gz VXWBIRMYQWTKFT-NEPJUHHUSA-N -1 0 335.366 3.601 20 0 EHADRM Cc1cc(C(=O)Nc2ccc3c(ccn3CC(=O)[O-])c2)c(C)s1 ZINC000676017369 1130517632 /nfs/dbraw/zinc/51/76/32/1130517632.db2.gz NWGZZOSIWLTKAK-UHFFFAOYSA-N -1 0 328.393 3.657 20 0 EHADRM O=C([O-])C1(CNC(=O)C2(c3ccc(F)cc3)CCCCC2)CCCC1 ZINC000676023381 1130518076 /nfs/dbraw/zinc/51/80/76/1130518076.db2.gz HYHCWRSPKIYJQA-UHFFFAOYSA-N -1 0 347.430 3.789 20 0 EHADRM C[C@H](C(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1ccccc1C(F)(F)F ZINC000676217906 1130546946 /nfs/dbraw/zinc/54/69/46/1130546946.db2.gz DUZOETZRSIQMSV-RYUDHWBXSA-N -1 0 343.345 3.522 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)C1 ZINC000676215707 1130549162 /nfs/dbraw/zinc/54/91/62/1130549162.db2.gz BWNZVKGMIWJDTN-AWEZNQCLSA-N -1 0 349.858 3.865 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000734079268 1131193684 /nfs/dbraw/zinc/19/36/84/1131193684.db2.gz BJALWCCFNPUIMY-INIZCTEOSA-N -1 0 337.485 3.715 20 0 EHADRM CCCCCC[C@](C)(NC(=O)c1oc2c(c1C)C(=O)CCC2)C(=O)[O-] ZINC000737816092 1131455670 /nfs/dbraw/zinc/45/56/70/1131455670.db2.gz GRLAWAQPOADCHG-IBGZPJMESA-N -1 0 349.427 3.651 20 0 EHADRM CCOc1cc(C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)ccc1C ZINC000737880806 1131457320 /nfs/dbraw/zinc/45/73/20/1131457320.db2.gz AISCHIRQZVQJNJ-XFFZJAGNSA-N -1 0 325.364 3.744 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)cc1 ZINC000738561121 1131471419 /nfs/dbraw/zinc/47/14/19/1131471419.db2.gz RAEOBBHGVWHSOW-LIXCDGRBSA-N -1 0 343.329 3.805 20 0 EHADRM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CC/C=C\c1ccccc1 ZINC000739192804 1131493399 /nfs/dbraw/zinc/49/33/99/1131493399.db2.gz PYKMPWUYPRWETK-LJEUOOAZSA-N -1 0 343.448 3.687 20 0 EHADRM CS[C@@H]1CC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000742327844 1131706127 /nfs/dbraw/zinc/70/61/27/1131706127.db2.gz HNMQNJBMMAXVSE-NXEZZACHSA-N -1 0 340.297 3.556 20 0 EHADRM CC(C)[C@H](NC(=O)c1cccc(Br)c1[O-])c1ccccn1 ZINC000743475100 1131928792 /nfs/dbraw/zinc/92/87/92/1131928792.db2.gz MUFNZCDCRABDBM-AWEZNQCLSA-N -1 0 349.228 3.677 20 0 EHADRM COc1ccccc1Nc1cccc2cc(S(=O)(=O)[O-])ccc21 ZINC001173841122 1132164724 /nfs/dbraw/zinc/16/47/24/1132164724.db2.gz QHAQMPGNDRZHCD-UHFFFAOYSA-N -1 0 329.377 3.839 20 0 EHADRM COc1ccc2cc(Nc3ccc(S(=O)(=O)[O-])cc3)ccc2c1 ZINC001174033009 1132220721 /nfs/dbraw/zinc/22/07/21/1132220721.db2.gz YEVSPHWUWVLSDC-UHFFFAOYSA-N -1 0 329.377 3.839 20 0 EHADRM COCc1ccccc1Nc1cccc2cc(S(=O)(=O)[O-])ccc21 ZINC001174105262 1132229487 /nfs/dbraw/zinc/22/94/87/1132229487.db2.gz NUHHFJOPOQFCNF-UHFFFAOYSA-N -1 0 343.404 3.977 20 0 EHADRM COCc1ccccc1Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1 ZINC001174105484 1132229811 /nfs/dbraw/zinc/22/98/11/1132229811.db2.gz VGZMPTDLOHCLHO-UHFFFAOYSA-N -1 0 343.404 3.977 20 0 EHADRM O=S(=O)([O-])c1ccc2c(cccc2Nc2cccc3[nH]ncc32)c1 ZINC001174345734 1132325090 /nfs/dbraw/zinc/32/50/90/1132325090.db2.gz PPGPEFLBGUACAF-UHFFFAOYSA-N -1 0 339.376 3.706 20 0 EHADRM O=S(=O)([O-])c1c(Nc2cccc3n[nH]cc32)ccc2ccccc21 ZINC001174345602 1132325195 /nfs/dbraw/zinc/32/51/95/1132325195.db2.gz ISMLXBMZVMFHHH-UHFFFAOYSA-N -1 0 339.376 3.706 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2cc(Br)ncc2F)c1 ZINC001174495963 1132372090 /nfs/dbraw/zinc/37/20/90/1132372090.db2.gz YEAWYBSEAVUWGX-SNAWJCMRSA-N -1 0 337.148 3.825 20 0 EHADRM CCOC(=O)c1ccc(Nc2cccc(/C=C/C(=O)[O-])c2)cc1F ZINC001174497064 1132372527 /nfs/dbraw/zinc/37/25/27/1132372527.db2.gz CHPZCHDKWZYDEZ-RMKNXTFCSA-N -1 0 329.327 3.844 20 0 EHADRM COCCOc1c(F)cccc1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174497562 1132373237 /nfs/dbraw/zinc/37/32/37/1132373237.db2.gz XZHZLWRJNPSRTK-CMDGGOBGSA-N -1 0 331.343 3.692 20 0 EHADRM COC(=O)[C@H]1CCc2cc(Nc3cccc(/C=C/C(=O)[O-])c3)ccc21 ZINC001174499055 1132373609 /nfs/dbraw/zinc/37/36/09/1132373609.db2.gz LDGMFWRYOOCHOK-DNXKIMQPSA-N -1 0 337.375 3.731 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)c2ccc3[n-]c(=S)oc3c2)o1 ZINC000746135861 1132382277 /nfs/dbraw/zinc/38/22/77/1132382277.db2.gz VTQURHGFXBQIJK-SKDRFNHKSA-N -1 0 328.393 3.763 20 0 EHADRM O=S(=O)([O-])c1ccc2ccc(Nc3ccc4cn[nH]c4c3)cc2c1 ZINC001174502049 1132390508 /nfs/dbraw/zinc/39/05/08/1132390508.db2.gz RHWVRLHONBUQFU-UHFFFAOYSA-N -1 0 339.376 3.706 20 0 EHADRM CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000746281542 1132401030 /nfs/dbraw/zinc/40/10/30/1132401030.db2.gz PKYMHVJQJLXJGT-IUODEOHRSA-N -1 0 348.468 3.688 20 0 EHADRM COc1cc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])cc(F)c1F ZINC001174584526 1132407692 /nfs/dbraw/zinc/40/76/92/1132407692.db2.gz ORSPAWHNEYLXMP-UHFFFAOYSA-N -1 0 349.742 3.617 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cc(C)nn1-c1ccccc1F ZINC001174674825 1132433022 /nfs/dbraw/zinc/43/30/22/1132433022.db2.gz NONBVSDTTGGAQG-UHFFFAOYSA-N -1 0 341.342 3.770 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cccc2c1OCC[C@@H]2OC ZINC001174675965 1132433065 /nfs/dbraw/zinc/43/30/65/1132433065.db2.gz ZQTMKVUUMNYLOB-HNNXBMFYSA-N -1 0 329.352 3.607 20 0 EHADRM COCCCOc1ccc(Nc2ccc(C(=O)[O-])cc2OC)cc1F ZINC001174676914 1132433789 /nfs/dbraw/zinc/43/37/89/1132433789.db2.gz BXYKMPZDHJNCGQ-UHFFFAOYSA-N -1 0 349.358 3.691 20 0 EHADRM COc1cc(Nc2ccc3c(c2)C(C)(C)NC(=O)N3)ccc1C(=O)[O-] ZINC001174688304 1132436959 /nfs/dbraw/zinc/43/69/59/1132436959.db2.gz UQLDSYCWYZHDPS-UHFFFAOYSA-N -1 0 341.367 3.507 20 0 EHADRM O=c1cc(C2CC2)nc(SCc2nc(C(F)(F)F)cs2)[nH]1 ZINC000189439352 1132443979 /nfs/dbraw/zinc/44/39/79/1132443979.db2.gz RFENKJVCVSOYQU-UHFFFAOYSA-N -1 0 333.360 3.827 20 0 EHADRM O=S(=O)([O-])c1c(Nc2ccc(O)c(F)c2)ccc2ccccc21 ZINC001174737422 1132454727 /nfs/dbraw/zinc/45/47/27/1132454727.db2.gz GKDQHBBGGSQUAM-UHFFFAOYSA-N -1 0 333.340 3.675 20 0 EHADRM COc1ccc(-n2nc(C)cc2Nc2ccc(C(=O)[O-])s2)cc1 ZINC001174806216 1132478064 /nfs/dbraw/zinc/47/80/64/1132478064.db2.gz XFHNINHANQTMFQ-UHFFFAOYSA-N -1 0 329.381 3.693 20 0 EHADRM O=C([O-])c1ccc(Nc2ccn3c(Br)cnc3c2)s1 ZINC001174807173 1132479243 /nfs/dbraw/zinc/47/92/43/1132479243.db2.gz HBJHZXIUACCDMP-UHFFFAOYSA-N -1 0 338.186 3.600 20 0 EHADRM CC(=O)N1CC2(CC2)c2ccc(Nc3ccc(C(=O)[O-])s3)cc21 ZINC001174809940 1132480574 /nfs/dbraw/zinc/48/05/74/1132480574.db2.gz WJSGHYABDRCGMA-UHFFFAOYSA-N -1 0 328.393 3.588 20 0 EHADRM COc1cc(F)c(Nc2ccc(Cl)cc2S(=O)(=O)[O-])cc1F ZINC001174927911 1132508777 /nfs/dbraw/zinc/50/87/77/1132508777.db2.gz UCOGQBNSQHKJED-UHFFFAOYSA-N -1 0 349.742 3.617 20 0 EHADRM C[C@@H](NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000104262481 1132509369 /nfs/dbraw/zinc/50/93/69/1132509369.db2.gz UJTNSTILXGVWSW-JIMOISOXSA-N -1 0 342.222 3.838 20 0 EHADRM COc1ccc(-n2ncc(C)c2Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC001174950045 1132515961 /nfs/dbraw/zinc/51/59/61/1132515961.db2.gz MMGNYKCUUJUDPU-UHFFFAOYSA-N -1 0 337.379 3.560 20 0 EHADRM O=C([O-])Cc1ccc(Nc2ccnn2-c2ccccc2Cl)cc1 ZINC001174950659 1132516349 /nfs/dbraw/zinc/51/63/49/1132516349.db2.gz VGWVPZXCXXVMNU-UHFFFAOYSA-N -1 0 327.771 3.896 20 0 EHADRM O=C([O-])Cc1ccc(Nc2ccc(OCC(F)(F)F)cc2)cc1 ZINC001174953047 1132516617 /nfs/dbraw/zinc/51/66/17/1132516617.db2.gz GXECQDVCKYCCNH-UHFFFAOYSA-N -1 0 325.286 3.998 20 0 EHADRM Cc1cc(Br)c(Nc2ccc(CC(=O)[O-])cc2)nc1C ZINC001174951698 1132516678 /nfs/dbraw/zinc/51/66/78/1132516678.db2.gz LYGPCPBQOHWLSS-UHFFFAOYSA-N -1 0 335.201 3.832 20 0 EHADRM COCCCOc1ccc(F)cc1Nc1ccc(CC(=O)[O-])cc1 ZINC001174953610 1132517829 /nfs/dbraw/zinc/51/78/29/1132517829.db2.gz IAUUHMWPFRQMTD-UHFFFAOYSA-N -1 0 333.359 3.612 20 0 EHADRM O=C([O-])Cc1ccc(Nc2cc(OC(F)(F)F)ccc2O)cc1 ZINC001174956178 1132518680 /nfs/dbraw/zinc/51/86/80/1132518680.db2.gz JSHMHLRPZGZKKZ-UHFFFAOYSA-N -1 0 327.258 3.662 20 0 EHADRM CN(C(=O)Nc1nc2ccccc2s1)C1(C(=O)[O-])CCCCC1 ZINC000391798182 1132519868 /nfs/dbraw/zinc/51/98/68/1132519868.db2.gz DRXCBNMVJKCHDM-UHFFFAOYSA-N -1 0 333.413 3.548 20 0 EHADRM COc1ccc(Br)nc1Nc1cc(C(=O)[O-])ccc1C ZINC001174981184 1132533828 /nfs/dbraw/zinc/53/38/28/1132533828.db2.gz JLWPGRBORFNJPQ-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1cc(Br)ncc1F ZINC001174983067 1132535152 /nfs/dbraw/zinc/53/51/52/1132535152.db2.gz DLFHOEZVDKYMTO-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1-n1nc(-c2ccncc2)c2cc(N)ccc21 ZINC001174985979 1132536281 /nfs/dbraw/zinc/53/62/81/1132536281.db2.gz IVHHXSBQEWWSQP-UHFFFAOYSA-N -1 0 344.374 3.676 20 0 EHADRM CCOc1ccc(-n2[n-]c(=O)c3cc(N)ccc32)cc1C(F)(F)F ZINC001175034225 1132543596 /nfs/dbraw/zinc/54/35/96/1132543596.db2.gz JLYZHGFGBMEODM-UHFFFAOYSA-N -1 0 337.301 3.731 20 0 EHADRM Cc1nccn1Cc1ccc(Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001175157573 1132569407 /nfs/dbraw/zinc/56/94/07/1132569407.db2.gz IWXYREAADDSFRO-UHFFFAOYSA-N -1 0 325.343 3.821 20 0 EHADRM COc1cc(Nc2ccc(C(=O)[O-])c(F)c2)ncc1C(F)(F)F ZINC001175157891 1132569584 /nfs/dbraw/zinc/56/95/84/1132569584.db2.gz WMRYEPJPBHNKAY-UHFFFAOYSA-N -1 0 330.237 3.690 20 0 EHADRM COc1cccc(Cn2nccc2Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001175157845 1132570045 /nfs/dbraw/zinc/57/00/45/1132570045.db2.gz HYAFJRHOIOXPJZ-UHFFFAOYSA-N -1 0 341.342 3.521 20 0 EHADRM Nc1cccc2c(Br)cn(-c3ccc(C(=O)[O-])c(F)c3)c21 ZINC001175161614 1132581766 /nfs/dbraw/zinc/58/17/66/1132581766.db2.gz JNAZZPYAMWMZMV-UHFFFAOYSA-N -1 0 349.159 3.813 20 0 EHADRM COCCCNc1cccc(F)c1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175161619 1132581921 /nfs/dbraw/zinc/58/19/21/1132581921.db2.gz JRVWOXIMWKNYGD-UHFFFAOYSA-N -1 0 336.338 3.855 20 0 EHADRM COC(=O)c1oc2cc(F)ccc2c1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175217126 1132597721 /nfs/dbraw/zinc/59/77/21/1132597721.db2.gz MYDQDXUEWFECLH-UHFFFAOYSA-N -1 0 347.273 3.939 20 0 EHADRM COC(=O)c1cc(Nc2ccc(F)c(C(=O)[O-])c2)c(Cl)s1 ZINC001175215606 1132597810 /nfs/dbraw/zinc/59/78/10/1132597810.db2.gz NLRYQHJKCTXCDU-UHFFFAOYSA-N -1 0 329.736 3.769 20 0 EHADRM Cc1cc(Nc2ccc(F)c(C(=O)[O-])c2)n(-c2ccccc2F)n1 ZINC001175217959 1132598180 /nfs/dbraw/zinc/59/81/80/1132598180.db2.gz YZPDREFSBZPUMC-UHFFFAOYSA-N -1 0 329.306 3.901 20 0 EHADRM CC1(C)COC(c2cccc(Nc3ccc(F)c(C(=O)[O-])c3)c2)=N1 ZINC001175221588 1132598576 /nfs/dbraw/zinc/59/85/76/1132598576.db2.gz MFTDZMAFJZHPJR-UHFFFAOYSA-N -1 0 328.343 3.823 20 0 EHADRM COc1ccc(-n2ncc(C)c2Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001175220895 1132598868 /nfs/dbraw/zinc/59/88/68/1132598868.db2.gz QVOJLTFTPBQMDN-UHFFFAOYSA-N -1 0 341.342 3.770 20 0 EHADRM Nc1ccc(F)c(Br)c1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175221635 1132599007 /nfs/dbraw/zinc/59/90/07/1132599007.db2.gz KBRYOPZPKJMKAD-UHFFFAOYSA-N -1 0 343.127 3.751 20 0 EHADRM CC(=O)N1CCc2cc(Nc3ccc(C(=O)[O-])c(Cl)c3)ccc21 ZINC001175317404 1132636718 /nfs/dbraw/zinc/63/67/18/1132636718.db2.gz ZGEWQZHZNYCLJE-UHFFFAOYSA-N -1 0 330.771 3.691 20 0 EHADRM COC(=O)c1ccc(F)c(F)c1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175318743 1132636931 /nfs/dbraw/zinc/63/69/31/1132636931.db2.gz FLQVOKVMMHEYKV-UHFFFAOYSA-N -1 0 341.697 3.847 20 0 EHADRM CN1Cc2c(Nc3ccc(C(=O)[O-])c(Cl)c3)cccc2NC1=O ZINC001175321095 1132638408 /nfs/dbraw/zinc/63/84/08/1132638408.db2.gz QKZFMHIMFDKDQM-UHFFFAOYSA-N -1 0 331.759 3.759 20 0 EHADRM CCOC(=O)c1cnc2c(cccc2Nc2cccc(C(=O)[O-])c2)c1 ZINC001175331888 1132641172 /nfs/dbraw/zinc/64/11/72/1132641172.db2.gz ZKFRVNICOPNMNK-UHFFFAOYSA-N -1 0 336.347 3.853 20 0 EHADRM COC(=O)c1ccc(Nc2cccc(C(=O)[O-])c2)cc1C(F)(F)F ZINC001175335106 1132642022 /nfs/dbraw/zinc/64/20/22/1132642022.db2.gz UGAIOOKOLDLUGT-UHFFFAOYSA-N -1 0 339.269 3.934 20 0 EHADRM CCOC(=O)C(C)(C)Oc1ccc(Nc2cccc(C(=O)[O-])c2)cc1 ZINC001175334451 1132642087 /nfs/dbraw/zinc/64/20/87/1132642087.db2.gz FQBYJBBFBYIMJC-UHFFFAOYSA-N -1 0 343.379 3.849 20 0 EHADRM C[C@H]1C[C@H](Nc2cc(C(F)(F)F)c(C(=O)[O-])nn2)c2ccccc21 ZINC001169370541 1132735725 /nfs/dbraw/zinc/73/57/25/1132735725.db2.gz ARERGVRBVUPYSC-UFBFGSQYSA-N -1 0 337.301 3.854 20 0 EHADRM O=C(Nc1nccc(Br)c1[O-])c1cccc2ccccc21 ZINC001169372605 1132735750 /nfs/dbraw/zinc/73/57/50/1132735750.db2.gz KVJVVOPSKITNNF-UHFFFAOYSA-N -1 0 343.180 3.955 20 0 EHADRM COc1cc(F)c(C(C)C)cc1Nc1cccc(S(=O)(=O)[O-])c1 ZINC001175830788 1132771127 /nfs/dbraw/zinc/77/11/27/1132771127.db2.gz SHCKVLUGNVDSRG-UHFFFAOYSA-N -1 0 339.388 3.948 20 0 EHADRM O=C([O-])c1cncc(Nc2ccnn2-c2ccccc2C(F)(F)F)c1 ZINC001175840859 1132772508 /nfs/dbraw/zinc/77/25/08/1132772508.db2.gz HFHFAAKNJHHWLT-UHFFFAOYSA-N -1 0 348.284 3.728 20 0 EHADRM O=C([O-])c1cncc(Nc2ccc(Br)c(Cl)c2)c1 ZINC001175841959 1132772784 /nfs/dbraw/zinc/77/27/84/1132772784.db2.gz HOAJPYXAIMHDQQ-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM CCOc1cc(Nc2cncc(C(=O)[O-])c2)cc(C(F)(F)F)c1 ZINC001175843937 1132773442 /nfs/dbraw/zinc/77/34/42/1132773442.db2.gz WXZORIFIVFFDIB-UHFFFAOYSA-N -1 0 326.274 3.941 20 0 EHADRM CC(C)Oc1cc(Br)ccc1NCc1cc(=O)[n-]o1 ZINC001169492039 1132776488 /nfs/dbraw/zinc/77/64/88/1132776488.db2.gz VHXQETGFICJMJZ-UHFFFAOYSA-N -1 0 327.178 3.542 20 0 EHADRM CC[C@@H](C(=O)[N-]OCC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000766765198 1132808341 /nfs/dbraw/zinc/80/83/41/1132808341.db2.gz LRDLUIXMMBHBOK-SNVBAGLBSA-N -1 0 329.240 3.809 20 0 EHADRM O=S(=O)([O-])c1ccc(Cl)c(Nc2ccc(Cl)c(O)c2)c1 ZINC001212594353 1132842648 /nfs/dbraw/zinc/84/26/48/1132842648.db2.gz XOCLRHBNTIDGHN-UHFFFAOYSA-N -1 0 334.180 3.689 20 0 EHADRM COc1cc(Cl)cc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)c1 ZINC001176345617 1132904992 /nfs/dbraw/zinc/90/49/92/1132904992.db2.gz GWIJRHGPMUGNBF-UHFFFAOYSA-N -1 0 348.207 3.992 20 0 EHADRM CC(C)(C)c1ccc(CCC(=O)N(CCC(=O)[O-])CC2CC2)cc1 ZINC000766920308 1132915207 /nfs/dbraw/zinc/91/52/07/1132915207.db2.gz LYMWSHMBOMUCEW-UHFFFAOYSA-N -1 0 331.456 3.630 20 0 EHADRM CC[C@@](C)(NC(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000766964244 1132923493 /nfs/dbraw/zinc/92/34/93/1132923493.db2.gz VUURSPWXYUIJFD-HJHHMULASA-N -1 0 349.736 3.742 20 0 EHADRM O=C([O-])c1cc(Nc2cccc(I)c2)cs1 ZINC001176439207 1132928846 /nfs/dbraw/zinc/92/88/46/1132928846.db2.gz KMYBZHWLEUIAQI-UHFFFAOYSA-N -1 0 345.161 3.795 20 0 EHADRM C[C@H]1c2sccc2CCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC001176442136 1132931217 /nfs/dbraw/zinc/93/12/17/1132931217.db2.gz XLOAPTWHWHRRQQ-VIFPVBQESA-N -1 0 330.434 3.938 20 0 EHADRM C/C(=C/C(=O)NCc1cccc(C(=O)[O-])c1)c1ccccc1Cl ZINC000767099056 1132944037 /nfs/dbraw/zinc/94/40/37/1132944037.db2.gz RGMLAJIKBDMZQL-XFXZXTDPSA-N -1 0 329.783 3.758 20 0 EHADRM O=C(/C=C\c1ccccc1)NCc1c(C(=O)[O-])sc2ccsc21 ZINC000767170716 1132957644 /nfs/dbraw/zinc/95/76/44/1132957644.db2.gz RHSOIYYXOMIZSU-SREVYHEPSA-N -1 0 343.429 3.991 20 0 EHADRM Cc1nc(Cl)c(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c(Cl)n1 ZINC001176580854 1132959817 /nfs/dbraw/zinc/95/98/17/1132959817.db2.gz BUKLGQVOLFAIHV-UHFFFAOYSA-N -1 0 338.194 3.952 20 0 EHADRM C[C@H]1Cc2cc(Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2N(C)C1=O ZINC001176597287 1132961608 /nfs/dbraw/zinc/96/16/08/1132961608.db2.gz KBOKLTLJSWYPLG-KADSFNECSA-N -1 0 336.391 3.683 20 0 EHADRM COC(=O)c1cc(C)c(F)cc1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176588381 1132961774 /nfs/dbraw/zinc/96/17/74/1132961774.db2.gz KVOITJWSISTDBL-UHFFFAOYSA-N -1 0 343.354 3.781 20 0 EHADRM Cc1cc(Nc2ccc(/C=C/C(=O)[O-])cc2)ccc1N1CCOCC1 ZINC001176595999 1132964200 /nfs/dbraw/zinc/96/42/00/1132964200.db2.gz ZQUSUEVJHOFUDT-RUDMXATFSA-N -1 0 338.407 3.673 20 0 EHADRM COC(=O)CCc1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC001176596055 1132964250 /nfs/dbraw/zinc/96/42/50/1132964250.db2.gz VHRQJMCKIDCBNS-WUXMJOGZSA-N -1 0 325.364 3.634 20 0 EHADRM O=S(=O)([O-])c1ccc(Cl)c(Nc2cc(O)cc(Cl)c2)c1 ZINC001176625586 1132973766 /nfs/dbraw/zinc/97/37/66/1132973766.db2.gz CZRDOIOTXNJINX-UHFFFAOYSA-N -1 0 334.180 3.689 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2ccc3c(c2)CN(C2CC2)C3=O)cc1 ZINC001176597839 1132976324 /nfs/dbraw/zinc/97/63/24/1132976324.db2.gz XDUZNTWCHZKPDM-XCVCLJGOSA-N -1 0 334.375 3.646 20 0 EHADRM CC(C)n1cnc2ccc(CNC(=O)c3ccc([O-])c(Cl)c3)cc21 ZINC001176759386 1132998751 /nfs/dbraw/zinc/99/87/51/1132998751.db2.gz LFIPZCKAXHSLFV-UHFFFAOYSA-N -1 0 343.814 3.906 20 0 EHADRM CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC000767571411 1133021360 /nfs/dbraw/zinc/02/13/60/1133021360.db2.gz IMMISHBODZCWFE-GFCCVEGCSA-N -1 0 331.865 3.670 20 0 EHADRM CCCCC[C@@H]1CCCN1C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000768343485 1133131440 /nfs/dbraw/zinc/13/14/40/1133131440.db2.gz FMULTPUUSHQGAO-CYBMUJFWSA-N -1 0 345.468 3.809 20 0 EHADRM COCc1ccc([C@@H]2CCCN2C(=O)c2cccc(Cl)c2[O-])o1 ZINC000768665646 1133168580 /nfs/dbraw/zinc/16/85/80/1133168580.db2.gz YMIUPBHIBBBVQZ-AWEZNQCLSA-N -1 0 335.787 3.762 20 0 EHADRM Cc1scc(C(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)c1C ZINC000773756185 1133179573 /nfs/dbraw/zinc/17/95/73/1133179573.db2.gz HXXHGHYYFIMHRV-UHFFFAOYSA-N -1 0 345.445 3.637 20 0 EHADRM CCCc1nnc([N-]S(=O)(=O)/C=C\c2cccc(Cl)c2)s1 ZINC000768863082 1133199594 /nfs/dbraw/zinc/19/95/94/1133199594.db2.gz QAJOJMBRRAUDJZ-FPLPWBNLSA-N -1 0 343.861 3.557 20 0 EHADRM O=C(N[C@H]1CCCC2(CC2)C1)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC001178995277 1133219996 /nfs/dbraw/zinc/21/99/96/1133219996.db2.gz VLBOCORVXBMJBB-ZDUSSCGKSA-N -1 0 345.830 3.684 20 0 EHADRM CC(C)(C)NC(=O)c1ccc(NC(=O)c2c([O-])cccc2Cl)cc1 ZINC000769649233 1133326069 /nfs/dbraw/zinc/32/60/69/1133326069.db2.gz OPLHSEOSFKMHOH-UHFFFAOYSA-N -1 0 346.814 3.826 20 0 EHADRM O=C(Cc1ccc2nccnc2c1)Nc1c(Cl)ccc([O-])c1Cl ZINC001181024132 1133441444 /nfs/dbraw/zinc/44/14/44/1133441444.db2.gz WRIWLBVKDJEGAZ-UHFFFAOYSA-N -1 0 348.189 3.823 20 0 EHADRM CCCCc1nnc([N-]C(=O)c2nc(Cl)sc2Cl)s1 ZINC000816840887 1133474321 /nfs/dbraw/zinc/47/43/21/1133474321.db2.gz HJPAQWBHTISJSH-UHFFFAOYSA-N -1 0 337.257 3.896 20 0 EHADRM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N[C@H](C(=O)[O-])C(C)C ZINC000780657547 1133546060 /nfs/dbraw/zinc/54/60/60/1133546060.db2.gz IOMMMKVNMPQZGQ-YOEHRIQHSA-N -1 0 347.459 3.605 20 0 EHADRM C[S@](=O)c1cccc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC000771440390 1133558018 /nfs/dbraw/zinc/55/80/18/1133558018.db2.gz SJKOQQHVHBCBNW-NRFANRHFSA-N -1 0 344.219 3.689 20 0 EHADRM O=C([O-])c1ccccc1NC[C@H](O)c1c(Cl)cccc1Cl ZINC001170029854 1133579266 /nfs/dbraw/zinc/57/92/66/1133579266.db2.gz DZHIHSGCLJDWDW-ZDUSSCGKSA-N -1 0 326.179 3.837 20 0 EHADRM CSc1ccc2cc(CSc3n[nH]c(=O)[n-]3)c(Cl)nc2c1 ZINC000772225429 1133658179 /nfs/dbraw/zinc/65/81/79/1133658179.db2.gz ISHZNMINIURXJA-UHFFFAOYSA-N -1 0 338.845 3.726 20 0 EHADRM O=C(Nc1cc(Cl)ccn1)c1cc(Br)cc(F)c1[O-] ZINC001182559897 1133700721 /nfs/dbraw/zinc/70/07/21/1133700721.db2.gz GOBWPGGRVRWGLJ-UHFFFAOYSA-N -1 0 345.555 3.595 20 0 EHADRM C[C@@H](CNC(=O)c1cc(F)cc(Cl)c1[O-])c1ccc(F)cc1F ZINC001182832757 1133738313 /nfs/dbraw/zinc/73/83/13/1133738313.db2.gz RVGKJIABPZXMSE-QMMMGPOBSA-N -1 0 343.732 3.996 20 0 EHADRM CC(C)CNC(=O)c1cccc(NC(=O)Cc2ccc([S-])cc2)c1 ZINC001183188858 1133776547 /nfs/dbraw/zinc/77/65/47/1133776547.db2.gz MDQGJNILTXQUPC-UHFFFAOYSA-N -1 0 342.464 3.542 20 0 EHADRM O=C(Cc1ccc([S-])cc1)N1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001183187640 1133776920 /nfs/dbraw/zinc/77/69/20/1133776920.db2.gz KSMFRKUGKHYYNK-NEWSRXKRSA-N -1 0 345.508 3.572 20 0 EHADRM Cc1ccc([C@]2(C)CN(C(=O)Cc3ccc([S-])cc3)CCO2)cc1 ZINC001183191072 1133777697 /nfs/dbraw/zinc/77/76/97/1133777697.db2.gz QMNNUXAYFUHFOT-FQEVSTJZSA-N -1 0 341.476 3.600 20 0 EHADRM CC(C)[C@@H](CO)[C@@H](NC(=O)c1c([O-])cc(Cl)cc1Cl)C(C)C ZINC001183495060 1133815726 /nfs/dbraw/zinc/81/57/26/1133815726.db2.gz KKKNMELWFOVTRE-ABAIWWIYSA-N -1 0 348.270 3.718 20 0 EHADRM CCCC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000786439903 1133848347 /nfs/dbraw/zinc/84/83/47/1133848347.db2.gz VUVBLJGPQFVSNL-UHFFFAOYSA-N -1 0 331.865 3.670 20 0 EHADRM CCCC(C)(C)CC(=O)[N-]S(=O)(=O)c1c(C)ccc2cccnc21 ZINC000786488554 1133854422 /nfs/dbraw/zinc/85/44/22/1133854422.db2.gz LXPZXTXNDAEFST-UHFFFAOYSA-N -1 0 348.468 3.565 20 0 EHADRM O=C(N[C@H]1c2ccccc2CC[C@H]1F)c1cc(F)cc(Cl)c1[O-] ZINC001184179080 1133901780 /nfs/dbraw/zinc/90/17/80/1133901780.db2.gz RYXIRLNHJVAZBS-CABCVRRESA-N -1 0 337.753 3.940 20 0 EHADRM Cc1ccc(OC(C)C)cc1[N-]S(=O)(=O)c1cccnc1Cl ZINC001184875217 1134000788 /nfs/dbraw/zinc/00/07/88/1134000788.db2.gz JHAIXUGRFBIXNO-UHFFFAOYSA-N -1 0 340.832 3.631 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2cccnc2)cc1)c1cccnc1Cl ZINC001184875362 1134000984 /nfs/dbraw/zinc/00/09/84/1134000984.db2.gz NTFJKCICPBLPFK-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)Nc1ccc(F)c(F)c1 ZINC001185100158 1134029063 /nfs/dbraw/zinc/02/90/63/1134029063.db2.gz GSHIFZFQEJIEOS-UHFFFAOYSA-N -1 0 330.294 3.500 20 0 EHADRM CC(C)COc1c(F)cccc1[N-]S(=O)(=O)c1ccsc1 ZINC001185392147 1134077977 /nfs/dbraw/zinc/07/79/77/1134077977.db2.gz LLDFGFWHOJUHKG-UHFFFAOYSA-N -1 0 329.418 3.723 20 0 EHADRM CN(Cc1cnc(Cl)s1)C(=O)C=C([O-])c1ccccc1Cl ZINC001185426991 1134083178 /nfs/dbraw/zinc/08/31/78/1134083178.db2.gz ORVNXDSEBSFUNX-UHFFFAOYSA-N -1 0 343.235 3.681 20 0 EHADRM O=C(C=C([O-])c1ccccc1Cl)N[C@@H]1CCCc2cccnc21 ZINC001185434921 1134086540 /nfs/dbraw/zinc/08/65/40/1134086540.db2.gz AHOBVXACHLTUCP-OAHLLOKOSA-N -1 0 328.799 3.502 20 0 EHADRM Cn1cnc2cccc([N-]S(=O)(=O)c3cc4ccccc4s3)c21 ZINC001185463048 1134092035 /nfs/dbraw/zinc/09/20/35/1134092035.db2.gz UJFFBLQUYGWCCD-UHFFFAOYSA-N -1 0 343.433 3.589 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000788320118 1134113539 /nfs/dbraw/zinc/11/35/39/1134113539.db2.gz DBDYRZWKRRAREA-LBPRGKRZSA-N -1 0 333.215 3.956 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc2c(s1)CCCC2 ZINC001185801571 1134135571 /nfs/dbraw/zinc/13/55/71/1134135571.db2.gz NHEXITNXUWMLES-UHFFFAOYSA-N -1 0 325.430 3.875 20 0 EHADRM Cc1cc(C(=O)OCc2n[nH]c(=O)[n-]2)sc1-c1cccc(Cl)c1 ZINC000774940648 1134139337 /nfs/dbraw/zinc/13/93/37/1134139337.db2.gz FTPWKXBGUUUMHS-UHFFFAOYSA-N -1 0 349.799 3.558 20 0 EHADRM O=C([O-])C1(CC(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)CCC1 ZINC000788721819 1134162603 /nfs/dbraw/zinc/16/26/03/1134162603.db2.gz JSBIYOTZSOJVSB-UHFFFAOYSA-N -1 0 340.423 3.519 20 0 EHADRM CC(C)CC[C@H](NC(=O)c1cccc([S-])c1)C(=O)OC(C)(C)C ZINC001186163575 1134172413 /nfs/dbraw/zinc/17/24/13/1134172413.db2.gz TZBWLFIEYUYFDC-HNNXBMFYSA-N -1 0 337.485 3.852 20 0 EHADRM COC(C)(C)c1nsc([N-]c2cnn(-c3ccc(C)cc3C)c2)n1 ZINC001186143309 1134173773 /nfs/dbraw/zinc/17/37/73/1134173773.db2.gz CXIHBTRJUQTJIA-UHFFFAOYSA-N -1 0 343.456 3.966 20 0 EHADRM COc1cccc(C(F)(F)F)c1CNC(=O)c1cccc([S-])c1 ZINC001186156842 1134176796 /nfs/dbraw/zinc/17/67/96/1134176796.db2.gz SOHNZJSSZVHDPK-UHFFFAOYSA-N -1 0 341.354 3.933 20 0 EHADRM Cc1cc(O)ccc1C(=O)Nc1ccc(F)c(Br)c1[O-] ZINC001186191701 1134179480 /nfs/dbraw/zinc/17/94/80/1134179480.db2.gz JYRCLURMQWWWTG-UHFFFAOYSA-N -1 0 340.148 3.560 20 0 EHADRM Cc1ccc(/C=C/S(=O)(=O)[N-]c2ncc(C(F)(F)F)s2)cc1 ZINC000788844682 1134181344 /nfs/dbraw/zinc/18/13/44/1134181344.db2.gz FDZKMEVRXAGZLU-VOTSOKGWSA-N -1 0 348.371 3.883 20 0 EHADRM COc1cccc(CNC(=O)Nc2ccc3[n-]c(=S)sc3c2)c1 ZINC001186207176 1134187577 /nfs/dbraw/zinc/18/75/77/1134187577.db2.gz CRWPHRWDVJERQY-UHFFFAOYSA-N -1 0 345.449 3.915 20 0 EHADRM O=S(=O)([N-]c1ccc(C2CC2)nc1)c1csc2ccccc21 ZINC001186454301 1134215148 /nfs/dbraw/zinc/21/51/48/1134215148.db2.gz FXRKPQNBUSKEGY-UHFFFAOYSA-N -1 0 330.434 3.975 20 0 EHADRM O=S(=O)([N-]c1ccco1)c1ccc(OCc2ccccc2)cc1 ZINC001186636136 1134241311 /nfs/dbraw/zinc/24/13/11/1134241311.db2.gz VQRIYBKYYFXXLX-UHFFFAOYSA-N -1 0 329.377 3.659 20 0 EHADRM O=S(=O)([N-]c1ccc(C2(C(F)(F)F)CC2)cc1)c1ccco1 ZINC001186806111 1134254950 /nfs/dbraw/zinc/25/49/50/1134254950.db2.gz IQBMYELFZSZUBI-UHFFFAOYSA-N -1 0 331.315 3.674 20 0 EHADRM Cc1ccc2c(cccc2NC(=O)c2cc(F)c(F)c([O-])c2F)n1 ZINC001186779284 1134256767 /nfs/dbraw/zinc/25/67/67/1134256767.db2.gz IJVQBPFBYWNYGN-UHFFFAOYSA-N -1 0 332.281 3.918 20 0 EHADRM O=C(NCC1CCCCC1)Nc1c(Cl)c(F)[n-]c(=O)c1Cl ZINC001186847911 1134260589 /nfs/dbraw/zinc/26/05/89/1134260589.db2.gz RBBGWUUPDGSYTP-UHFFFAOYSA-N -1 0 336.194 3.935 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)cc(Cl)n1 ZINC001187184373 1134306303 /nfs/dbraw/zinc/30/63/03/1134306303.db2.gz CUTCWNKHPRTQFC-UHFFFAOYSA-N -1 0 342.873 3.785 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)ccc1F ZINC001187173574 1134311013 /nfs/dbraw/zinc/31/10/13/1134311013.db2.gz FXLONVJZHYYJNQ-UHFFFAOYSA-N -1 0 325.430 3.875 20 0 EHADRM O=S(=O)([N-]c1cccc2cccnc21)c1cc2c(s1)CCCC2 ZINC001187174191 1134311279 /nfs/dbraw/zinc/31/12/79/1134311279.db2.gz VYDNALMAOYUUEJ-UHFFFAOYSA-N -1 0 344.461 3.976 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)cc1C ZINC001187209447 1134315246 /nfs/dbraw/zinc/31/52/46/1134315246.db2.gz NMVNUCUTVZKLBS-UHFFFAOYSA-N -1 0 337.466 3.745 20 0 EHADRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(F)n2)c1 ZINC000789737610 1134331081 /nfs/dbraw/zinc/33/10/81/1134331081.db2.gz QCVWKYRTIOQSIH-UHFFFAOYSA-N -1 0 328.796 3.627 20 0 EHADRM Cc1cccc(NS(=O)(=O)c2ccc(OC(=O)C(C)(C)C)cc2)c1 ZINC001187422412 1134333834 /nfs/dbraw/zinc/33/38/34/1134333834.db2.gz JTBMQTGVUDDGIN-UHFFFAOYSA-N -1 0 347.436 3.747 20 0 EHADRM O=C([N-][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1)C(F)(F)F ZINC000789891741 1134346356 /nfs/dbraw/zinc/34/63/56/1134346356.db2.gz ZWLIABWCVPHPHY-VIFPVBQESA-N -1 0 341.160 3.641 20 0 EHADRM O=C([O-])c1cc(NCc2cccc(Cl)c2F)cc2c1OCCO2 ZINC000789904235 1134348214 /nfs/dbraw/zinc/34/82/14/1134348214.db2.gz SQXSSYJVELFDHO-UHFFFAOYSA-N -1 0 337.734 3.561 20 0 EHADRM O=S(=O)(c1cc([O-])cc(F)c1)N1CCCC2(C1)CCCCCC2 ZINC001187620202 1134357398 /nfs/dbraw/zinc/35/73/98/1134357398.db2.gz ZDLCUZOKGUUYEX-UHFFFAOYSA-N -1 0 341.448 3.656 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc3ocnc32)cc1 ZINC000790004725 1134358069 /nfs/dbraw/zinc/35/80/69/1134358069.db2.gz JTDFJTYHRUMPOA-UHFFFAOYSA-N -1 0 330.409 3.926 20 0 EHADRM CCNC(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2[O-])c1C ZINC000790129007 1134372316 /nfs/dbraw/zinc/37/23/16/1134372316.db2.gz MRZJWXNHDRCJOI-UHFFFAOYSA-N -1 0 347.802 3.748 20 0 EHADRM CC(C)(C)COc1ccc([N-]S(=O)(=O)c2nccs2)cc1F ZINC001187899851 1134393943 /nfs/dbraw/zinc/39/39/43/1134393943.db2.gz WTPCWXPOOJEXAB-UHFFFAOYSA-N -1 0 344.433 3.508 20 0 EHADRM O=S(=O)([N-]c1ccc2occc2c1)c1ccc(Cl)nc1Cl ZINC001187969264 1134405724 /nfs/dbraw/zinc/40/57/24/1134405724.db2.gz MZINRUIRTPAZOG-UHFFFAOYSA-N -1 0 343.191 3.935 20 0 EHADRM Cc1cc(F)cc(C)c1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC001187972903 1134405746 /nfs/dbraw/zinc/40/57/46/1134405746.db2.gz KPOOUZHQOBTWRH-UHFFFAOYSA-N -1 0 349.214 3.945 20 0 EHADRM O=S(=O)([N-]c1ccccn1)c1ccc(-c2ccc(F)cc2)cc1 ZINC001188419214 1134460185 /nfs/dbraw/zinc/46/01/85/1134460185.db2.gz AOZMHPGKYZRTDP-UHFFFAOYSA-N -1 0 328.368 3.689 20 0 EHADRM O=S(=O)([N-]c1ccc(F)nc1)c1ccc(-c2ccc(F)cc2)cc1 ZINC001188423468 1134461364 /nfs/dbraw/zinc/46/13/64/1134461364.db2.gz FZJRSKMERAEAOV-UHFFFAOYSA-N -1 0 346.358 3.828 20 0 EHADRM O=C(N[C@H]1CCCc2cnccc21)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188598597 1134479766 /nfs/dbraw/zinc/47/97/66/1134479766.db2.gz OOXGIBPWOYWESY-AWEZNQCLSA-N -1 0 336.313 3.613 20 0 EHADRM O=S(=O)([N-]c1cnc2ccc(C(F)(F)F)cc2c1)c1ccoc1 ZINC001188579961 1134483762 /nfs/dbraw/zinc/48/37/62/1134483762.db2.gz OQGIALSQEMMTDD-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM Cc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccncc1[O-] ZINC001188637100 1134492344 /nfs/dbraw/zinc/49/23/44/1134492344.db2.gz NOZRIPWBQANUMP-UHFFFAOYSA-N -1 0 347.374 3.600 20 0 EHADRM O=C(Nc1ccc2c(c1)CN(Cc1ccccc1)C2)c1ccncc1[O-] ZINC001188637456 1134492527 /nfs/dbraw/zinc/49/25/27/1134492527.db2.gz ZYONTPGSNDEDBY-UHFFFAOYSA-N -1 0 345.402 3.555 20 0 EHADRM COc1cccc(Cl)c1CNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000791006142 1134492602 /nfs/dbraw/zinc/49/26/02/1134492602.db2.gz ASRZMTCGLTWSPA-UHFFFAOYSA-N -1 0 348.811 3.709 20 0 EHADRM O=S(=O)([N-]c1ncc(F)s1)c1ccc2oc3ccccc3c2c1 ZINC001188803212 1134510832 /nfs/dbraw/zinc/51/08/32/1134510832.db2.gz JPJDZFNSISTZFJ-UHFFFAOYSA-N -1 0 348.380 3.982 20 0 EHADRM CCc1cc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)on1 ZINC001188809437 1134511607 /nfs/dbraw/zinc/51/16/07/1134511607.db2.gz MXSGKGYGTQIQSJ-UHFFFAOYSA-N -1 0 342.376 3.937 20 0 EHADRM O=C(Nc1ccc(N2CCCC2)cn1)c1cc2sccc2c(O)c1 ZINC000791390997 1134542257 /nfs/dbraw/zinc/54/22/57/1134542257.db2.gz NVYRAUWKPRWCPT-UHFFFAOYSA-N -1 0 339.420 3.854 20 0 EHADRM CC(=O)c1ccccc1NS(=O)(=O)CCc1ccc(Cl)cc1 ZINC001189103171 1134544605 /nfs/dbraw/zinc/54/46/05/1134544605.db2.gz FHWNXUOQMAFCCX-UHFFFAOYSA-N -1 0 337.828 3.527 20 0 EHADRM O=C(Nc1cc(=O)[n-]c(Cl)n1)Nc1cccc(Cl)c1Cl ZINC001189200902 1134551419 /nfs/dbraw/zinc/55/14/19/1134551419.db2.gz BDPINSPFRJUQQM-UHFFFAOYSA-N -1 0 333.562 3.786 20 0 EHADRM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C(F)F)c1 ZINC001189225863 1134554498 /nfs/dbraw/zinc/55/44/98/1134554498.db2.gz MYFUXZMWSLLZAL-UHFFFAOYSA-N -1 0 325.336 3.628 20 0 EHADRM O=S(=O)(Cc1ccc(F)c(F)c1)Nc1cccc(Cl)c1F ZINC001189310299 1134568288 /nfs/dbraw/zinc/56/82/88/1134568288.db2.gz NCLJYVVGTPWUAN-UHFFFAOYSA-N -1 0 335.734 3.699 20 0 EHADRM CC(C)Oc1ccccc1NS(=O)(=O)Cc1ccc(F)c(F)c1 ZINC001189309125 1134568665 /nfs/dbraw/zinc/56/86/65/1134568665.db2.gz JQFUPGASNDGKNO-UHFFFAOYSA-N -1 0 341.379 3.694 20 0 EHADRM Cc1ccnc(C)c1[N-]S(=O)(=O)c1ccc(F)c2ccccc21 ZINC001189355478 1134580058 /nfs/dbraw/zinc/58/00/58/1134580058.db2.gz JJZXZMIJQQGSIR-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)cnc2C)c1 ZINC001189577376 1134602558 /nfs/dbraw/zinc/60/25/58/1134602558.db2.gz QCRFJERSIZECQW-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(O)cc(Cl)c2)c1 ZINC001189609862 1134606570 /nfs/dbraw/zinc/60/65/70/1134606570.db2.gz WUQRSCPFDMVZPI-UHFFFAOYSA-N -1 0 348.207 3.508 20 0 EHADRM Cc1oc2ccc([N-]S(=O)(=O)c3ccc(Cl)nc3)cc2c1C ZINC000775289221 1134614280 /nfs/dbraw/zinc/61/42/80/1134614280.db2.gz TUKBSTMDMCNPDQ-UHFFFAOYSA-N -1 0 336.800 3.899 20 0 EHADRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc(C)c1F ZINC000775296503 1134617479 /nfs/dbraw/zinc/61/74/79/1134617479.db2.gz GWSANJKTOHBFBZ-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000791952588 1134637925 /nfs/dbraw/zinc/63/79/25/1134637925.db2.gz FTQYGFNKQIGIRU-CQSZACIVSA-N -1 0 348.468 3.646 20 0 EHADRM CCCCC(=O)[C@H](C)NC(=O)c1cc(Br)ccc1[S-] ZINC001189968957 1134638099 /nfs/dbraw/zinc/63/80/99/1134638099.db2.gz FBYZZZKTRSWMOM-VIFPVBQESA-N -1 0 344.274 3.615 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)c1O ZINC001189982098 1134645791 /nfs/dbraw/zinc/64/57/91/1134645791.db2.gz IONKDCHQQYSWEB-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM Cc1cnn(C2CCC2)c1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190481447 1134701350 /nfs/dbraw/zinc/70/13/50/1134701350.db2.gz ZVZLCPVMGCFBFJ-UHFFFAOYSA-N -1 0 331.441 3.595 20 0 EHADRM O=S(=O)([N-]c1csc2ncccc12)c1ccc(C2CC2)cc1 ZINC001190467837 1134705965 /nfs/dbraw/zinc/70/59/65/1134705965.db2.gz HYVUNCGABKWBOE-UHFFFAOYSA-N -1 0 330.434 3.975 20 0 EHADRM Cc1noc2ccc(NS(=O)(=O)c3ccc(C4CC4)cc3)cc12 ZINC001190499357 1134714896 /nfs/dbraw/zinc/71/48/96/1134714896.db2.gz CRTQIFZOSNSGMT-UHFFFAOYSA-N -1 0 328.393 3.814 20 0 EHADRM COC(=O)c1cc(COC(=O)c2cc([S-])ccc2F)c(C)s1 ZINC000798718559 1134715316 /nfs/dbraw/zinc/71/53/16/1134715316.db2.gz DUYLLZGHFCULBY-UHFFFAOYSA-N -1 0 340.397 3.628 20 0 EHADRM O=C(OCc1nnc(-c2ccccc2)s1)c1cc([S-])ccc1F ZINC000798724257 1134749541 /nfs/dbraw/zinc/74/95/41/1134749541.db2.gz NZRXTKBVYCLWPB-UHFFFAOYSA-N -1 0 346.408 3.990 20 0 EHADRM O=S(=O)([N-]c1cccc(Cl)c1C(F)(F)F)c1ccncc1 ZINC001190898693 1134765428 /nfs/dbraw/zinc/76/54/28/1134765428.db2.gz YMFALRRWSQCVLO-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM CC(=O)c1ccccc1OCCOC(=O)c1cc([S-])ccc1F ZINC000798724564 1134767043 /nfs/dbraw/zinc/76/70/43/1134767043.db2.gz OGLQEBKMSJJAQR-UHFFFAOYSA-N -1 0 334.368 3.553 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cnc(C3CC3)s2)c1 ZINC001191152744 1134803124 /nfs/dbraw/zinc/80/31/24/1134803124.db2.gz DLJRJVVGQYJELM-UHFFFAOYSA-N -1 0 345.449 3.678 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2c(C)cnn2CC2CC2)cc1 ZINC001191232805 1134831989 /nfs/dbraw/zinc/83/19/89/1134831989.db2.gz JUSNCKNIBUVZPG-UHFFFAOYSA-N -1 0 347.484 3.745 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cccn3cc(C)nc23)cc1 ZINC001191233493 1134832527 /nfs/dbraw/zinc/83/25/27/1134832527.db2.gz NPTXOODIXZUAPH-UHFFFAOYSA-N -1 0 343.452 3.786 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2c(C)nc3ccccn32)cc1 ZINC001191233503 1134832710 /nfs/dbraw/zinc/83/27/10/1134832710.db2.gz NZXTZJRJQYFJSN-UHFFFAOYSA-N -1 0 343.452 3.786 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cnccc2OCC)cc1 ZINC001191233831 1134832903 /nfs/dbraw/zinc/83/29/03/1134832903.db2.gz UEWGNCNYMWVUAF-UHFFFAOYSA-N -1 0 334.441 3.624 20 0 EHADRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC001191653024 1134899767 /nfs/dbraw/zinc/89/97/67/1134899767.db2.gz WFVXEFZXAWVRRB-UHFFFAOYSA-N -1 0 341.379 3.898 20 0 EHADRM Cc1cccc2cc(C(=O)[N-]S(=O)(=O)c3ccccc3Cl)oc21 ZINC000747111949 1134905905 /nfs/dbraw/zinc/90/59/05/1134905905.db2.gz UQURMVTXAYIKLQ-UHFFFAOYSA-N -1 0 349.795 3.513 20 0 EHADRM Cc1cnc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2Cl)c(C)n1 ZINC001191728820 1134906029 /nfs/dbraw/zinc/90/60/29/1134906029.db2.gz NINDWFUBARRGKO-UHFFFAOYSA-N -1 0 346.239 3.509 20 0 EHADRM COc1ccnc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2Cl)c1 ZINC001191728735 1134906034 /nfs/dbraw/zinc/90/60/34/1134906034.db2.gz JXXJNOKAMFBVKR-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc(C)cc1O ZINC001191694292 1134907729 /nfs/dbraw/zinc/90/77/29/1134907729.db2.gz GQKBGSSJNAVHRK-UHFFFAOYSA-N -1 0 335.425 3.633 20 0 EHADRM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1cc2cccccc-2c1 ZINC001192321471 1134998047 /nfs/dbraw/zinc/99/80/47/1134998047.db2.gz LNMRDLSAYHFRCQ-UHFFFAOYSA-N -1 0 332.812 3.949 20 0 EHADRM CC1(C)CC(CNS(=O)(=O)c2ccccc2[O-])CC(C)(C)C1 ZINC001192302032 1135002341 /nfs/dbraw/zinc/00/23/41/1135002341.db2.gz IBQNQVGSKPWMAS-UHFFFAOYSA-N -1 0 325.474 3.523 20 0 EHADRM Cc1cc(Cl)ncc1S(=O)(=O)Nc1cc(F)ccc1Cl ZINC001192356011 1135004087 /nfs/dbraw/zinc/00/40/87/1135004087.db2.gz MXWBZADRMBQOHK-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM Cc1cc(Cl)ncc1S(=O)(=O)Nc1ccc(Cl)cc1[S-] ZINC001192358127 1135004990 /nfs/dbraw/zinc/00/49/90/1135004990.db2.gz XJTXFSZREOAQKF-UHFFFAOYSA-N -1 0 349.264 3.786 20 0 EHADRM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1ccc2ccccc2c1 ZINC001192356671 1135005020 /nfs/dbraw/zinc/00/50/20/1135005020.db2.gz WRBBMOYGQJEBGT-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM CCCCC[C@H](C)CC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000794004368 1135012969 /nfs/dbraw/zinc/01/29/69/1135012969.db2.gz KRQHHQJULMVNCC-RYQLBKOJSA-N -1 0 331.456 3.920 20 0 EHADRM CNc1ccc(C(F)(F)F)cc1NC(=O)c1c(F)ccc(F)c1[O-] ZINC001192707140 1135050675 /nfs/dbraw/zinc/05/06/75/1135050675.db2.gz QKMVRLBWRXNCRY-UHFFFAOYSA-N -1 0 346.255 3.983 20 0 EHADRM CC(C)(C)OC(=O)c1ccccc1NC(=O)c1c(F)ccc(F)c1[O-] ZINC001192715966 1135051026 /nfs/dbraw/zinc/05/10/26/1135051026.db2.gz CFYXLBGHLMPRFV-UHFFFAOYSA-N -1 0 349.333 3.878 20 0 EHADRM CCOc1ccc(C)cc1[N-]S(=O)(=O)c1cc(CC)ccc1OC ZINC001192804739 1135056769 /nfs/dbraw/zinc/05/67/69/1135056769.db2.gz CZQCGOGSFYCJIS-UHFFFAOYSA-N -1 0 349.452 3.766 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2C)c1 ZINC001192805710 1135057018 /nfs/dbraw/zinc/05/70/18/1135057018.db2.gz NPGUWIXALFRVEI-UHFFFAOYSA-N -1 0 341.379 3.645 20 0 EHADRM CC(C)c1nc(CN(C)C(=O)c2ccc(F)c(F)c2[O-])cs1 ZINC001192807835 1135057540 /nfs/dbraw/zinc/05/75/40/1135057540.db2.gz YRMGDSDDDGRFKL-UHFFFAOYSA-N -1 0 326.368 3.523 20 0 EHADRM O=C(Nc1cc(F)c(Cl)nc1Cl)c1ccc([O-])c(F)c1F ZINC001192828804 1135059721 /nfs/dbraw/zinc/05/97/21/1135059721.db2.gz UYDVVYYXPHELII-UHFFFAOYSA-N -1 0 337.084 3.764 20 0 EHADRM CCC[C@H](C(=O)c1ccccc1)N(C)C(=O)c1ccc([O-])c(F)c1F ZINC001192840643 1135063513 /nfs/dbraw/zinc/06/35/13/1135063513.db2.gz VEQQJVUTKINFHK-CQSZACIVSA-N -1 0 347.361 3.794 20 0 EHADRM CCc1ccc(Cl)cc1[N-]S(=O)(=O)c1cnccc1Cl ZINC001192900681 1135070838 /nfs/dbraw/zinc/07/08/38/1135070838.db2.gz OEOBKNVURHQFTD-UHFFFAOYSA-N -1 0 331.224 3.752 20 0 EHADRM CCc1nccc(C)c1NC(=O)c1cc(Cl)nc(Cl)c1[O-] ZINC001193081378 1135096580 /nfs/dbraw/zinc/09/65/80/1135096580.db2.gz DADIYFJNTRUAQH-UHFFFAOYSA-N -1 0 326.183 3.612 20 0 EHADRM O=C(Nc1scnc1C1CC1)c1cc(Cl)nc(Cl)c1[O-] ZINC001193083107 1135097149 /nfs/dbraw/zinc/09/71/49/1135097149.db2.gz OSEPPPSQOVBLNZ-UHFFFAOYSA-N -1 0 330.196 3.680 20 0 EHADRM O=C(Nc1cc(O)cc(Cl)c1)c1cc(Cl)nc(Cl)c1[O-] ZINC001193093813 1135105433 /nfs/dbraw/zinc/10/54/33/1135105433.db2.gz MZMLTNHKHSUZRU-UHFFFAOYSA-N -1 0 333.558 3.705 20 0 EHADRM O=C(c1cc(=O)[nH][n-]1)N1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC001193468031 1135140651 /nfs/dbraw/zinc/14/06/51/1135140651.db2.gz DAFWOPFEMIZDOG-ZDUSSCGKSA-N -1 0 339.317 3.502 20 0 EHADRM CC(C)OC(=O)Nc1c(CC(=O)[O-])cccc1C(=O)c1ccccc1 ZINC001193487121 1135142505 /nfs/dbraw/zinc/14/25/05/1135142505.db2.gz XNKDQISUVSIAKO-UHFFFAOYSA-N -1 0 341.363 3.502 20 0 EHADRM O=C(Nc1ccc2ncnc(Cl)c2c1)c1ccc(F)c([O-])c1F ZINC001193789847 1135181346 /nfs/dbraw/zinc/18/13/46/1135181346.db2.gz XYPOJLGXUMVASO-UHFFFAOYSA-N -1 0 335.697 3.519 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnn(C(C)C)c2)c2ccccc12 ZINC001193833832 1135191231 /nfs/dbraw/zinc/19/12/31/1135191231.db2.gz RXFNVQDAFXVPEB-UHFFFAOYSA-N -1 0 329.425 3.726 20 0 EHADRM COc1nc(C)ccc1[N-]S(=O)(=O)c1ccc(C)c2ccccc21 ZINC001193834210 1135191247 /nfs/dbraw/zinc/19/12/47/1135191247.db2.gz WNMBUHPAHCXOGD-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)Oc1ccc(Cl)cc1 ZINC001194065669 1135223874 /nfs/dbraw/zinc/22/38/74/1135223874.db2.gz WBWBSOJUJDXAIL-UHFFFAOYSA-N -1 0 329.743 3.842 20 0 EHADRM CCn1ncc([N-]S(=O)(=O)c2ccc(-c3cccs3)cc2)c1C ZINC001194141326 1135239448 /nfs/dbraw/zinc/23/94/48/1135239448.db2.gz CWUXDEYLVVVLPK-UHFFFAOYSA-N -1 0 347.465 3.741 20 0 EHADRM CC(C)n1cc([N-]S(=O)(=O)c2ccc(-c3cccs3)cc2)cn1 ZINC001194141971 1135239804 /nfs/dbraw/zinc/23/98/04/1135239804.db2.gz LWSHGIRULQPDAM-UHFFFAOYSA-N -1 0 347.465 3.993 20 0 EHADRM CCCCCCOC(=O)Nc1ccc(S(=O)(=O)[O-])cc1Cl ZINC001194188521 1135241252 /nfs/dbraw/zinc/24/12/52/1135241252.db2.gz ZTMQEUYDYJGKPY-UHFFFAOYSA-N -1 0 335.809 3.716 20 0 EHADRM CCn1cc([N-]S(=O)(=O)c2ccc3c(Cl)cccc3c2)c(C)n1 ZINC001194216742 1135245381 /nfs/dbraw/zinc/24/53/81/1135245381.db2.gz HRVGMFLVENBQRH-UHFFFAOYSA-N -1 0 349.843 3.819 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cc2ccccc2oc1=O ZINC000805261998 1135254342 /nfs/dbraw/zinc/25/43/42/1135254342.db2.gz STYVJWRRGAHOKL-UHFFFAOYSA-N -1 0 333.702 3.543 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2cccc3c(Cl)cccc32)ccn1 ZINC001194404118 1135265301 /nfs/dbraw/zinc/26/53/01/1135265301.db2.gz VMXPRUYYNHSSNG-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM Cc1ccc(C)c([N-]S(=O)(=O)c2cccc3c(Cl)nccc32)n1 ZINC001194458622 1135270399 /nfs/dbraw/zinc/27/03/99/1135270399.db2.gz MHDVWEBYQROSNI-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM O=C1CCC(S(=O)(=O)[N-]c2cccc3c4ccccc4oc32)CC1 ZINC001194807857 1135323659 /nfs/dbraw/zinc/32/36/59/1135323659.db2.gz PJQRSEPLTLOSOX-UHFFFAOYSA-N -1 0 343.404 3.839 20 0 EHADRM CC(C)CCOC(=O)Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1 ZINC001194875026 1135334412 /nfs/dbraw/zinc/33/44/12/1135334412.db2.gz REJBVAGXUUGISG-UHFFFAOYSA-N -1 0 337.397 3.681 20 0 EHADRM CCc1cccc(CC)c1[N-]S(=O)(=O)c1cccc2nccnc21 ZINC001194978506 1135349547 /nfs/dbraw/zinc/34/95/47/1135349547.db2.gz DVHMYPWOXOJDMK-UHFFFAOYSA-N -1 0 341.436 3.555 20 0 EHADRM O=S(=O)([N-]c1cccc2ccccc21)c1cccc2nccnc21 ZINC001194978973 1135349978 /nfs/dbraw/zinc/34/99/78/1135349978.db2.gz UNQNLKYSMPZXEZ-UHFFFAOYSA-N -1 0 335.388 3.584 20 0 EHADRM O=C([O-])c1ccc(Nc2ccccc2-c2nc(CO)cs2)c(F)c1 ZINC001203299714 1135368652 /nfs/dbraw/zinc/36/86/52/1135368652.db2.gz VVDWCPFNHNCXTD-UHFFFAOYSA-N -1 0 344.367 3.883 20 0 EHADRM Cc1cn2cccc([N-]S(=O)(=O)c3cccc(C(C)C)c3)c2n1 ZINC001195115303 1135371469 /nfs/dbraw/zinc/37/14/69/1135371469.db2.gz CQJALBWFYGRMQO-UHFFFAOYSA-N -1 0 329.425 3.567 20 0 EHADRM CC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC001195158991 1135384611 /nfs/dbraw/zinc/38/46/11/1135384611.db2.gz JHWWXSSHCTZOCO-UHFFFAOYSA-N -1 0 335.400 3.953 20 0 EHADRM O=C(Nc1cc(C2CCCC2)no1)c1c([O-])c(F)c(F)c(F)c1F ZINC001195278565 1135404680 /nfs/dbraw/zinc/40/46/80/1135404680.db2.gz LFSRDZFYSPEXTA-UHFFFAOYSA-N -1 0 344.264 3.847 20 0 EHADRM Cc1nc(-c2ccc(C(=O)Nc3cc(Cl)c([O-])cc3F)cc2)n[nH]1 ZINC000805258635 1135426665 /nfs/dbraw/zinc/42/66/65/1135426665.db2.gz KDGUYGTZYOLPND-UHFFFAOYSA-N -1 0 346.749 3.531 20 0 EHADRM O=C(CCCOC1CCOCC1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000867118428 1135429029 /nfs/dbraw/zinc/42/90/29/1135429029.db2.gz OIFPOAOLGRLIGK-UHFFFAOYSA-N -1 0 348.226 3.613 20 0 EHADRM CC[C@H](NC(=O)c1cccc(Cl)c1[O-])c1nc2ccccc2[nH]1 ZINC000775700062 1135532648 /nfs/dbraw/zinc/53/26/48/1135532648.db2.gz FBAVQWBUUWCVFI-LBPRGKRZSA-N -1 0 329.787 3.803 20 0 EHADRM O=S(=O)([N-]c1cccc(-c2ccccn2)c1)c1ccc(Cl)cn1 ZINC001196243981 1135539948 /nfs/dbraw/zinc/53/99/48/1135539948.db2.gz DKQWXEOWMKKNBB-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM O=S(=O)([N-]c1ccc2cc(F)ccc2c1)c1ccc(Cl)cn1 ZINC001196244778 1135540050 /nfs/dbraw/zinc/54/00/50/1135540050.db2.gz DHNIIDZYOJODQF-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM CC(C)(C)n1ccc(C(=O)Nc2c(Cl)ccc([O-])c2Cl)n1 ZINC001196321946 1135545483 /nfs/dbraw/zinc/54/54/83/1135545483.db2.gz FIJPVWOOYGVZFC-UHFFFAOYSA-N -1 0 328.199 3.903 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(F)c2)c(F)c1 ZINC001196387061 1135553826 /nfs/dbraw/zinc/55/38/26/1135553826.db2.gz JFJJGTHQPYUFNJ-UHFFFAOYSA-N -1 0 341.379 3.861 20 0 EHADRM Cc1ncccc1[N-]S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC001196411619 1135560265 /nfs/dbraw/zinc/56/02/65/1135560265.db2.gz CCNHXPINJHGBSX-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM O=C(Nc1cccc2c(=O)[nH]ccc12)c1cc(Cl)c(F)cc1[O-] ZINC001196467144 1135563820 /nfs/dbraw/zinc/56/38/20/1135563820.db2.gz MKFVJXRVYZLJBW-UHFFFAOYSA-N -1 0 332.718 3.691 20 0 EHADRM CC1(C)C(=O)Nc2cc(NC(=O)c3cc(Cl)c(F)cc3[O-])ccc21 ZINC001196466920 1135563901 /nfs/dbraw/zinc/56/39/01/1135563901.db2.gz OHRZCTUMGOSVKX-UHFFFAOYSA-N -1 0 348.761 3.667 20 0 EHADRM O=C(N[C@@H](c1cncc(F)c1)C1CC1)c1cc(Cl)c(F)cc1[O-] ZINC001196477914 1135565766 /nfs/dbraw/zinc/56/57/66/1135565766.db2.gz JQEWCIHPBKCDRJ-OAHLLOKOSA-N -1 0 338.741 3.600 20 0 EHADRM O=C(N[C@H](c1ccccc1)C1(O)CCC1)c1cc(Cl)c(F)cc1[O-] ZINC001196478560 1135566952 /nfs/dbraw/zinc/56/69/52/1135566952.db2.gz WGJRTCLXFXMUCK-MRXNPFEDSA-N -1 0 349.789 3.571 20 0 EHADRM Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1cccc2ccc(O)cc21 ZINC000808099180 1135617593 /nfs/dbraw/zinc/61/75/93/1135617593.db2.gz FKVZUZUGXMZXBH-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM COc1cc(C)c(S(=O)(=O)[N-]c2cc3ccccc3cn2)c(C)c1 ZINC001196848174 1135618429 /nfs/dbraw/zinc/61/84/29/1135618429.db2.gz FSLJQJWLNOIHGC-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1cc(C)c(C)cc1C ZINC001197039669 1135640686 /nfs/dbraw/zinc/64/06/86/1135640686.db2.gz HZXBNSHOHNLPCD-UHFFFAOYSA-N -1 0 347.436 3.508 20 0 EHADRM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1c(C)cc(C)cc1C ZINC001197037113 1135644354 /nfs/dbraw/zinc/64/43/54/1135644354.db2.gz RIBROJAAQHOQJE-UHFFFAOYSA-N -1 0 347.436 3.508 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N2CC[C@H](c3ccc(F)cc3)C2)cc1 ZINC001197097120 1135645585 /nfs/dbraw/zinc/64/55/85/1135645585.db2.gz YTJIVJQQYOSUAQ-AWEZNQCLSA-N -1 0 344.411 3.710 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2cnc3cccc(F)c3c2)cc1 ZINC001197083294 1135647987 /nfs/dbraw/zinc/64/79/87/1135647987.db2.gz LDTKNMPKAVWZAJ-UHFFFAOYSA-N -1 0 341.367 3.881 20 0 EHADRM CCCOc1cccc(CNC(=S)Nc2ccc(C(=O)[O-])cc2)c1 ZINC001197132474 1135648265 /nfs/dbraw/zinc/64/82/65/1135648265.db2.gz XJXNNPZHWVLKCX-UHFFFAOYSA-N -1 0 344.436 3.660 20 0 EHADRM CC[C@@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)c1ccc(OC)cc1 ZINC001197136413 1135648869 /nfs/dbraw/zinc/64/88/69/1135648869.db2.gz BOEUNZZRLAETCG-MRXNPFEDSA-N -1 0 344.436 3.831 20 0 EHADRM CC(C)(Cc1cccc(F)c1)NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197139904 1135649610 /nfs/dbraw/zinc/64/96/10/1135649610.db2.gz KYKHQRGPMVBIFY-UHFFFAOYSA-N -1 0 346.427 3.832 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NCc2cccc(C(F)F)c2)cc1 ZINC001197120454 1135651945 /nfs/dbraw/zinc/65/19/45/1135651945.db2.gz HEHNJJYHJHZJIK-UHFFFAOYSA-N -1 0 336.363 3.809 20 0 EHADRM O=S(=O)(/C=C\c1ccccc1Cl)[N-][C@@H](C1CC1)C(F)(F)F ZINC000808328500 1135653055 /nfs/dbraw/zinc/65/30/55/1135653055.db2.gz QMJICAIXVMKZNM-KRZKBDHCSA-N -1 0 339.766 3.571 20 0 EHADRM CC[C@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC001197128751 1135653071 /nfs/dbraw/zinc/65/30/71/1135653071.db2.gz OZTIHIAOEMJERP-HNNXBMFYSA-N -1 0 332.400 3.962 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NCc2ccc(F)cc2Cl)cc1 ZINC001197128782 1135653390 /nfs/dbraw/zinc/65/33/90/1135653390.db2.gz QAVYZLOSGUZSCP-UHFFFAOYSA-N -1 0 338.791 3.664 20 0 EHADRM CC(C)(NC(=S)Nc1ccc(C(=O)[O-])cc1)c1cc(Cl)ccn1 ZINC001197148173 1135654248 /nfs/dbraw/zinc/65/42/48/1135654248.db2.gz RTUYXODDYVLFDA-UHFFFAOYSA-N -1 0 349.843 3.655 20 0 EHADRM CCOc1ccccc1[C@H](C)NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197148269 1135654255 /nfs/dbraw/zinc/65/42/55/1135654255.db2.gz VTHZMZOHLLRQHZ-LBPRGKRZSA-N -1 0 344.436 3.831 20 0 EHADRM S=c1nc2[n-]cnc(NCc3c(Cl)cncc3Cl)c-2s1 ZINC001158302994 1135654618 /nfs/dbraw/zinc/65/46/18/1135654618.db2.gz ULQPPWLZANEQAB-UHFFFAOYSA-N -1 0 344.252 3.689 20 0 EHADRM O=C([O-])CCCCC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000808507294 1135683609 /nfs/dbraw/zinc/68/36/09/1135683609.db2.gz HANNFLPHKNAEPJ-UHFFFAOYSA-N -1 0 328.412 3.519 20 0 EHADRM CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)c1cccc(Cl)c1[O-] ZINC000775769736 1135683841 /nfs/dbraw/zinc/68/38/41/1135683841.db2.gz VBMRLCUXNUDWMB-MRXNPFEDSA-N -1 0 333.815 3.550 20 0 EHADRM O=C(NC[C@@H](O)c1ccc2ccccc2c1)c1cccc(Cl)c1[O-] ZINC000775773017 1135688145 /nfs/dbraw/zinc/68/81/45/1135688145.db2.gz GEUZYSHDDUVNKS-QGZVFWFLSA-N -1 0 341.794 3.662 20 0 EHADRM Cc1ccc(C)c(N2CCN(C(=O)c3cccc(Cl)c3[O-])CC2)c1 ZINC000775780465 1135720223 /nfs/dbraw/zinc/72/02/23/1135720223.db2.gz MIVFTUIJCNMKFO-UHFFFAOYSA-N -1 0 344.842 3.625 20 0 EHADRM CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)c1cccc(Cl)c1[O-] ZINC000775780058 1135721383 /nfs/dbraw/zinc/72/13/83/1135721383.db2.gz BXKSOLNLJCOMTG-UONOGXRCSA-N -1 0 325.836 3.711 20 0 EHADRM CC(C)(C(=O)[N-]OCc1cc(-c2cccs2)on1)c1ccccc1 ZINC000104054098 1135747200 /nfs/dbraw/zinc/74/72/00/1135747200.db2.gz YQVDSEKZLKEOAV-UHFFFAOYSA-N -1 0 342.420 3.929 20 0 EHADRM CCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)Cc1ccc(C)cc1 ZINC000809064071 1135770266 /nfs/dbraw/zinc/77/02/66/1135770266.db2.gz HUWGVHLMEWVMFC-MRXNPFEDSA-N -1 0 325.474 3.548 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cccc(Cl)n2)c(Cl)cc1F ZINC001198234809 1135789865 /nfs/dbraw/zinc/78/98/65/1135789865.db2.gz QACXBBSWQZDGNT-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM Cc1ncc(S(=O)(=O)[N-]c2ccc(C3CCCCC3)cc2)n1C ZINC001198344879 1135803502 /nfs/dbraw/zinc/80/35/02/1135803502.db2.gz XTAAQNKGEXNXFT-UHFFFAOYSA-N -1 0 333.457 3.577 20 0 EHADRM Cc1cc(C)cc(-c2noc([C@@H]([N-]C(=O)C(F)(F)F)C(C)C)n2)c1 ZINC000809403267 1135836667 /nfs/dbraw/zinc/83/66/67/1135836667.db2.gz XPAGBBIWEURHEQ-LBPRGKRZSA-N -1 0 341.333 3.729 20 0 EHADRM O=S(=O)([N-]c1cc(-c2cccs2)no1)c1ccc2occc2c1 ZINC001198826099 1135857179 /nfs/dbraw/zinc/85/71/79/1135857179.db2.gz JRFNIZSTAWIQRL-UHFFFAOYSA-N -1 0 346.389 3.950 20 0 EHADRM O=C(N[C@@H]1CCO[C@H]1c1ccccc1)c1ccc2[n-]c(=S)oc2c1 ZINC000081992311 1135858831 /nfs/dbraw/zinc/85/88/31/1135858831.db2.gz BZUFAIJOYDEBKE-ZBFHGGJFSA-N -1 0 340.404 3.750 20 0 EHADRM COc1ccc(S(=O)(=O)Nc2c([S-])cccc2Cl)c(C)c1 ZINC001198950028 1135872267 /nfs/dbraw/zinc/87/22/67/1135872267.db2.gz CVUQMMGMFWONLN-UHFFFAOYSA-N -1 0 343.857 3.747 20 0 EHADRM Nc1cc(Cl)c(Cl)nc1Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203322359 1135911337 /nfs/dbraw/zinc/91/13/37/1135911337.db2.gz AATVNWGZOAFPKE-UHFFFAOYSA-N -1 0 334.109 3.691 20 0 EHADRM O=C(Nc1ccc2cc(Cl)cnc2n1)c1cccc(Cl)c1[O-] ZINC001132458787 1136008480 /nfs/dbraw/zinc/00/84/80/1136008480.db2.gz LIHLDFVEUCPPAU-UHFFFAOYSA-N -1 0 334.162 3.895 20 0 EHADRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1ccc(F)c(C)c1C ZINC001201764744 1136061191 /nfs/dbraw/zinc/06/11/91/1136061191.db2.gz KWPZGYKXKLOFAS-UHFFFAOYSA-N -1 0 334.825 3.662 20 0 EHADRM Cc1cc2cc([N-]S(=O)(=O)c3sc(Cl)nc3C)ccc2o1 ZINC001201764212 1136061413 /nfs/dbraw/zinc/06/14/13/1136061413.db2.gz BNZFLNALWCPMEN-UHFFFAOYSA-N -1 0 342.829 3.960 20 0 EHADRM CC(=O)c1cccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)n1 ZINC001201795652 1136063189 /nfs/dbraw/zinc/06/31/89/1136063189.db2.gz UMTQDJDJAJEOOH-UHFFFAOYSA-N -1 0 346.452 3.627 20 0 EHADRM CCOC(=O)c1ccc(C(=O)Nc2cc(Cl)c([O-])cc2F)cc1 ZINC000811527740 1136099444 /nfs/dbraw/zinc/09/94/44/1136099444.db2.gz WFKMAYVCIQCZID-UHFFFAOYSA-N -1 0 337.734 3.614 20 0 EHADRM c1sc2ccccc2c1[N-]c1nonc1-c1cn2ccncc2n1 ZINC001202164875 1136103865 /nfs/dbraw/zinc/10/38/65/1136103865.db2.gz BFLUCQUDKAURFW-UHFFFAOYSA-N -1 0 334.364 3.738 20 0 EHADRM C[C@H](NC(=O)c1c([O-])cc(Cl)cc1Cl)[C@@H](O)c1ccccc1 ZINC000811538718 1136105106 /nfs/dbraw/zinc/10/51/06/1136105106.db2.gz SIHCNJZWJMNCRC-BJOHPYRUSA-N -1 0 340.206 3.551 20 0 EHADRM COc1cc(F)c(F)cc1NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000811606053 1136112060 /nfs/dbraw/zinc/11/20/60/1136112060.db2.gz WPTRWTPDARTSHK-UHFFFAOYSA-N -1 0 336.319 3.656 20 0 EHADRM CN(Cc1nc(=O)c2sccc2[n-]1)c1ccnc2c(F)cccc12 ZINC000811718193 1136129794 /nfs/dbraw/zinc/12/97/94/1136129794.db2.gz LYAOFXRUMJWHKL-UHFFFAOYSA-N -1 0 340.383 3.721 20 0 EHADRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccnc(Cl)c1C ZINC000811835614 1136142987 /nfs/dbraw/zinc/14/29/87/1136142987.db2.gz DZTUQLPXVXPXPW-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM O=C(CC1=CCCCC1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000106981586 1136157214 /nfs/dbraw/zinc/15/72/14/1136157214.db2.gz WEFSIXFGVNYIRT-UHFFFAOYSA-N -1 0 348.251 3.689 20 0 EHADRM CCCC[C@](C)(F)C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000850731018 1136298384 /nfs/dbraw/zinc/29/83/84/1136298384.db2.gz ICHQEXDIFZVFOT-KRWDZBQOSA-N -1 0 337.416 3.563 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)[C@]2(C)CC=C(C)CC2)c1Cl ZINC000850927907 1136319334 /nfs/dbraw/zinc/31/93/34/1136319334.db2.gz LPMOGRBZZZITBL-MRXNPFEDSA-N -1 0 341.860 3.590 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C1CCC2(CC2)CC1 ZINC000851043411 1136331756 /nfs/dbraw/zinc/33/17/56/1136331756.db2.gz MTVVIRRBAVXIQE-MRXNPFEDSA-N -1 0 335.469 3.554 20 0 EHADRM O=C(CC1CCC1)O[C@H]1C[C@H]([N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000851175002 1136346093 /nfs/dbraw/zinc/34/60/93/1136346093.db2.gz COJIIEQJIVPAOH-KBPBESRZSA-N -1 0 341.329 3.584 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cc2ccccc2o1 ZINC000814019170 1136387102 /nfs/dbraw/zinc/38/71/02/1136387102.db2.gz VQZGCUVJPRJIOY-KRWDZBQOSA-N -1 0 343.404 3.644 20 0 EHADRM Cc1n[n-]c(=NC(=O)NCc2cccc(-c3cccc(C)c3)c2)s1 ZINC000338939258 1136389954 /nfs/dbraw/zinc/38/99/54/1136389954.db2.gz JIBHXCYSHSLSMQ-UHFFFAOYSA-N -1 0 338.436 3.566 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N2CCC[C@H](c3ccccc3)CC2)o1 ZINC000851597359 1136395257 /nfs/dbraw/zinc/39/52/57/1136395257.db2.gz XFIGTEZBHDQXNR-SOGBHIHOSA-N -1 0 339.391 3.787 20 0 EHADRM CCC[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000851604532 1136395894 /nfs/dbraw/zinc/39/58/94/1136395894.db2.gz AIMVWKLOOJDMDE-RCBQFDQVSA-N -1 0 337.847 3.793 20 0 EHADRM CCCN(CCc1cccs1)C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851604769 1136395898 /nfs/dbraw/zinc/39/58/98/1136395898.db2.gz AUAUEJLFFXAHOJ-VURMDHGXSA-N -1 0 333.409 3.534 20 0 EHADRM CC(C)c1ccccc1C(=O)N[C@@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000851607039 1136396119 /nfs/dbraw/zinc/39/61/19/1136396119.db2.gz UWEVANSZSHHPCM-HNAYVOBHSA-N -1 0 339.435 3.872 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)CC[C@@H]2CC2(Cl)Cl)c1 ZINC000851695738 1136399876 /nfs/dbraw/zinc/39/98/76/1136399876.db2.gz JWUFTXUVZMGPKW-LLVKDONJSA-N -1 0 330.211 3.616 20 0 EHADRM CCCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1cc(C)oc1C ZINC000776567573 1136438192 /nfs/dbraw/zinc/43/81/92/1136438192.db2.gz VZTDEMXALIBAOO-LBPRGKRZSA-N -1 0 329.462 3.698 20 0 EHADRM CC[C@@H](c1nnc(NC([O-])=NOCCC2CC2)s1)c1ccccc1 ZINC000814633278 1136483151 /nfs/dbraw/zinc/48/31/51/1136483151.db2.gz DPHSDPXLBJUFMX-CQSZACIVSA-N -1 0 346.456 3.933 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000776631633 1136494381 /nfs/dbraw/zinc/49/43/81/1136494381.db2.gz OFAAWNKWTVIFHL-OJNOIJSXSA-N -1 0 339.391 3.889 20 0 EHADRM O=C([O-])[C@@H]1Cc2nc3cc(Cl)ccc3c([C@@H]3CCCOC3)c2C1 ZINC000853001793 1136497029 /nfs/dbraw/zinc/49/70/29/1136497029.db2.gz AELLLAYVEWIOAD-MNOVXSKESA-N -1 0 331.799 3.582 20 0 EHADRM Cc1cc(C)c(C=CC(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)cc1C ZINC000111078929 1136506478 /nfs/dbraw/zinc/50/64/78/1136506478.db2.gz HDPWGIXEPQAYTP-BQYQJAHWSA-N -1 0 349.390 3.607 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)Nc1ccc(SC(F)F)cc1)C1CCC1 ZINC000853091568 1136507570 /nfs/dbraw/zinc/50/75/70/1136507570.db2.gz WGXUDAUOHDMDIX-LBPRGKRZSA-N -1 0 344.383 3.624 20 0 EHADRM CC(C)C[C@H](NC(=O)Nc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000217268909 1136521898 /nfs/dbraw/zinc/52/18/98/1136521898.db2.gz RUQFDUMDPXVYCL-KRWDZBQOSA-N -1 0 326.396 3.974 20 0 EHADRM Cc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2F)sc1C ZINC000776652867 1136523555 /nfs/dbraw/zinc/52/35/55/1136523555.db2.gz DIJGFOYMGXTEAM-CYBMUJFWSA-N -1 0 339.363 3.589 20 0 EHADRM Cc1ccc(C)c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2F)c1 ZINC000776653570 1136523630 /nfs/dbraw/zinc/52/36/30/1136523630.db2.gz HXZZJFHXZUSPOH-INIZCTEOSA-N -1 0 333.334 3.527 20 0 EHADRM C/C(=C\C(=O)N[C@H](CC(=O)[O-])c1ccccc1C)c1ccc(F)cc1 ZINC000776675645 1136531795 /nfs/dbraw/zinc/53/17/95/1136531795.db2.gz WZVIUFDYDSGTBP-GPZRYRNASA-N -1 0 341.382 3.870 20 0 EHADRM O=C(OCc1ccnc(Br)c1)c1cc([S-])ccc1F ZINC000815243050 1136576228 /nfs/dbraw/zinc/57/62/28/1136576228.db2.gz BZEIQNCHFTXQBB-UHFFFAOYSA-N -1 0 342.189 3.629 20 0 EHADRM CON(C(=O)c1s[n-]c(=O)c1Cl)[C@H](C)c1ccccc1C ZINC000854520557 1136623544 /nfs/dbraw/zinc/62/35/44/1136623544.db2.gz ICBJUCPVLGVQOD-SECBINFHSA-N -1 0 326.805 3.575 20 0 EHADRM CC(C)(C)OC(=O)Nc1cccc(CC(=O)[N-]Oc2ccccc2)c1 ZINC000854537638 1136624851 /nfs/dbraw/zinc/62/48/51/1136624851.db2.gz XORJMYCZTUTUHH-UHFFFAOYSA-N -1 0 342.395 3.686 20 0 EHADRM CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000815714268 1136632224 /nfs/dbraw/zinc/63/22/24/1136632224.db2.gz RABKQWBWUQZLDP-GFCCVEGCSA-N -1 0 340.379 3.618 20 0 EHADRM CC(C)c1nnsc1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000227324317 1136642211 /nfs/dbraw/zinc/64/22/11/1136642211.db2.gz RQJFQQULVUEOCV-UHFFFAOYSA-N -1 0 332.212 3.926 20 0 EHADRM CCCN(C(=O)c1ccc2oc(=O)nc-2[n-]1)c1ccc(CC)cc1 ZINC000854823563 1136645551 /nfs/dbraw/zinc/64/55/51/1136645551.db2.gz DFSIUPWEZTWBSQ-UHFFFAOYSA-N -1 0 325.368 3.548 20 0 EHADRM Cc1ccc(F)cc1C(=O)[N-]S(=O)(=O)[C@@H](c1ccccc1)C(C)C ZINC000816110177 1136677535 /nfs/dbraw/zinc/67/75/35/1136677535.db2.gz UWPDPOLIQXHORT-QGZVFWFLSA-N -1 0 349.427 3.591 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@H]1CCC[C@H]1C ZINC000816111402 1136677553 /nfs/dbraw/zinc/67/75/53/1136677553.db2.gz XPICALNCEUIMJU-QGPMSJSTSA-N -1 0 337.485 3.656 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C1=CCCCCC1 ZINC000816109472 1136677750 /nfs/dbraw/zinc/67/77/50/1136677750.db2.gz DESMJROXEVQSHO-QGZVFWFLSA-N -1 0 335.469 3.720 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)/C=C1\CC[C@@H](C)C1 ZINC000816113019 1136677755 /nfs/dbraw/zinc/67/77/55/1136677755.db2.gz IIBVGTRQDOIVFM-NVSKLPJISA-N -1 0 335.469 3.576 20 0 EHADRM CCOC(=O)c1ccc(NC(=O)c2ccc3oc(=S)[n-]c3c2)cc1 ZINC001135482950 1136695005 /nfs/dbraw/zinc/69/50/05/1136695005.db2.gz MVRSDXIVQIXLNO-UHFFFAOYSA-N -1 0 342.376 3.546 20 0 EHADRM C[C@@H](CCc1ccccc1)NC(=O)c1cccc(Br)c1[O-] ZINC001135583236 1136718534 /nfs/dbraw/zinc/71/85/34/1136718534.db2.gz NQOKAMGICORQEM-LBPRGKRZSA-N -1 0 348.240 3.906 20 0 EHADRM O=C(NCCc1ccc(Cl)cc1)c1ccc2oc(=S)[n-]c2c1 ZINC000816807795 1136755340 /nfs/dbraw/zinc/75/53/40/1136755340.db2.gz RHLGXZOHSNHJGD-UHFFFAOYSA-N -1 0 332.812 3.742 20 0 EHADRM COc1cc(NC(=O)c2c([O-])cccc2Cl)cc2cccnc21 ZINC000816827179 1136758657 /nfs/dbraw/zinc/75/86/57/1136758657.db2.gz HNRTVYKDBDKRLF-UHFFFAOYSA-N -1 0 328.755 3.855 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1ccc2oc(=S)[n-]c2c1)c1cccnc1 ZINC000816945130 1136765961 /nfs/dbraw/zinc/76/59/61/1136765961.db2.gz WSCGZZLHUSKLMV-CQSZACIVSA-N -1 0 341.436 3.681 20 0 EHADRM O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1ccc2[n-]c(=S)oc2c1 ZINC000817223225 1136784513 /nfs/dbraw/zinc/78/45/13/1136784513.db2.gz MXOFRSBQMRRLMH-MQMHXKEQSA-N -1 0 342.395 3.932 20 0 EHADRM O=C([N-]OCC1CC1)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC000817357143 1136798391 /nfs/dbraw/zinc/79/83/91/1136798391.db2.gz BKLJZUSYFCDIEA-QGZVFWFLSA-N -1 0 333.334 3.543 20 0 EHADRM CCC(CC)(C(=O)[N-]OCCC1CC1)c1ccc(OC)c(OC)c1 ZINC000817378826 1136801658 /nfs/dbraw/zinc/80/16/58/1136801658.db2.gz AETVMMVPBIEHDD-UHFFFAOYSA-N -1 0 335.444 3.610 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)c1ccc(CF)cc1 ZINC000856973223 1136829027 /nfs/dbraw/zinc/82/90/27/1136829027.db2.gz BZMLMCADWNRWKW-IRXDYDNUSA-N -1 0 333.403 3.652 20 0 EHADRM O=C(NCCC1=CCCCC1)c1cc(Br)c(F)cc1[O-] ZINC001136099159 1136856908 /nfs/dbraw/zinc/85/69/08/1136856908.db2.gz UBRIUNMHQDFSRB-UHFFFAOYSA-N -1 0 342.208 3.914 20 0 EHADRM CCCCC[C@](C)(CC)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000781441846 1136858483 /nfs/dbraw/zinc/85/84/83/1136858483.db2.gz DXFNLSYXARWXOV-KRWDZBQOSA-N -1 0 325.474 3.797 20 0 EHADRM O=C(NCCc1cc2ccccc2s1)c1n[n-]c2ccccc2c1=O ZINC000818270088 1136869294 /nfs/dbraw/zinc/86/92/94/1136869294.db2.gz AGKSPUCBPYJKOY-UHFFFAOYSA-N -1 0 349.415 3.523 20 0 EHADRM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1cn2c(n1)CCC2 ZINC000857478794 1136875455 /nfs/dbraw/zinc/87/54/55/1136875455.db2.gz QILFWARTNBPABB-UHFFFAOYSA-N -1 0 346.601 3.747 20 0 EHADRM C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)[N-]Oc1ccccc1 ZINC000820043199 1136974778 /nfs/dbraw/zinc/97/47/78/1136974778.db2.gz OESWOGRHLWJULU-NSHDSACASA-N -1 0 325.286 3.583 20 0 EHADRM CCC[C@H](C(=O)OCc1n[n-]c(C)cc1=O)c1cccc(Cl)c1 ZINC000860668461 1137072222 /nfs/dbraw/zinc/07/22/22/1137072222.db2.gz RCOJGOCYGGVKQH-AWEZNQCLSA-N -1 0 334.803 3.771 20 0 EHADRM O=C([N-]C1CC(F)(c2cccc(Cl)c2)C1)C(F)(F)C(F)F ZINC000797765757 1137080360 /nfs/dbraw/zinc/08/03/60/1137080360.db2.gz VDQMNUSRDJFSFJ-UHFFFAOYSA-N -1 0 327.680 3.684 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1 ZINC000013401781 1137080604 /nfs/dbraw/zinc/08/06/04/1137080604.db2.gz SEWIQZFHWXFHBG-XCVCLJGOSA-N -1 0 333.290 3.638 20 0 EHADRM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000823025934 1137084791 /nfs/dbraw/zinc/08/47/91/1137084791.db2.gz VUNAXLPSVOTZTM-DLBZAZTESA-N -1 0 349.390 3.552 20 0 EHADRM C/C(=C\C(=O)N1CCC[C@]1(C)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000823338169 1137095461 /nfs/dbraw/zinc/09/54/61/1137095461.db2.gz ADDBCTVTWHPSRN-PXUDHTSWSA-N -1 0 341.329 3.574 20 0 EHADRM CSCCCCCCC(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)ccc1C ZINC000861508910 1137109861 /nfs/dbraw/zinc/10/98/61/1137109861.db2.gz XGOPDFMKDUJOMT-UHFFFAOYSA-N -1 0 348.472 3.738 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccccc2N2CCCCC2)s1 ZINC000861710366 1137118719 /nfs/dbraw/zinc/11/87/19/1137118719.db2.gz VSTQVETZZLOBIT-UHFFFAOYSA-N -1 0 330.409 3.689 20 0 EHADRM Cc1c(CNC(=O)c2cc(F)cc(F)c2[O-])oc2ccc(F)cc12 ZINC001136806008 1137121826 /nfs/dbraw/zinc/12/18/26/1137121826.db2.gz BCQUBBUPMGEVRC-UHFFFAOYSA-N -1 0 335.281 3.794 20 0 EHADRM CC(C)ON=C([O-])Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000824575857 1137143379 /nfs/dbraw/zinc/14/33/79/1137143379.db2.gz RYLCZTGICBFBOR-UHFFFAOYSA-N -1 0 347.227 3.973 20 0 EHADRM C[C@@H](S[C@H](C)C(=O)Nc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000824963920 1137159560 /nfs/dbraw/zinc/15/95/60/1137159560.db2.gz YCYUVWMVGPCVAH-CHWSQXEVSA-N -1 0 329.421 3.887 20 0 EHADRM C[C@H](CN(C)C(=O)CSc1n[n-]c(=S)s1)C1CCCCC1 ZINC000863046785 1137168416 /nfs/dbraw/zinc/16/84/16/1137168416.db2.gz PQLVIUGWUULMLZ-SNVBAGLBSA-N -1 0 345.559 3.594 20 0 EHADRM CC(C)c1ncsc1[N-]S(=O)(=O)CCc1c(F)cccc1F ZINC000863411199 1137185529 /nfs/dbraw/zinc/18/55/29/1137185529.db2.gz UUGZSVIVQXFXMT-UHFFFAOYSA-N -1 0 346.424 3.529 20 0 EHADRM CC1(C)CCC[C@H]1[C@@H]1CCN(C(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC000844035050 1137195217 /nfs/dbraw/zinc/19/52/17/1137195217.db2.gz VAKVFZAIOHDCGH-HIFRSBDPSA-N -1 0 339.439 3.624 20 0 EHADRM COC(=O)c1cccc([C@@H](C)Nc2ccccc2/C=C/C(=O)[O-])c1 ZINC001171107358 1137199821 /nfs/dbraw/zinc/19/98/21/1137199821.db2.gz QQRHHXRZUJBLNX-OCHBPSSRSA-N -1 0 325.364 3.744 20 0 EHADRM O=c1cc(CN2CCC(C(F)F)CC2)c2cc(Cl)c([O-])cc2o1 ZINC000794560908 1137204222 /nfs/dbraw/zinc/20/42/22/1137204222.db2.gz RJUPMRWRLYORJI-UHFFFAOYSA-N -1 0 343.757 3.629 20 0 EHADRM CC[C@](C)(NC(=O)c1ccc(C)c(C(=O)[O-])c1)c1nc(C)cs1 ZINC000864111765 1137215779 /nfs/dbraw/zinc/21/57/79/1137215779.db2.gz NVRUUYVFVUNBBM-KRWDZBQOSA-N -1 0 332.425 3.513 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)cc1C(=O)[O-] ZINC000864113000 1137215785 /nfs/dbraw/zinc/21/57/85/1137215785.db2.gz IXCVHZUSBHXQEX-MLGOLLRUSA-N -1 0 327.380 3.900 20 0 EHADRM CCc1cc2c(CC(=O)NCCCCCC(=O)[O-])csc2s1 ZINC000864119788 1137215927 /nfs/dbraw/zinc/21/59/27/1137215927.db2.gz NBWMNGOOKGVEKA-UHFFFAOYSA-N -1 0 339.482 3.829 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C1([C@H]2CCCCO2)CCC1 ZINC000864135093 1137216827 /nfs/dbraw/zinc/21/68/27/1137216827.db2.gz IPOIHTJOATUUPS-MRXNPFEDSA-N -1 0 331.412 3.680 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@@](C)(c3cccc(F)c3)C2)cc1C(=O)[O-] ZINC000864150133 1137217147 /nfs/dbraw/zinc/21/71/47/1137217147.db2.gz BPZCGRGOIUWQAO-HXUWFJFHSA-N -1 0 341.382 3.636 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000864147797 1137217168 /nfs/dbraw/zinc/21/71/68/1137217168.db2.gz QBJOKAJIROEUOA-KBXCAEBGSA-N -1 0 339.391 3.723 20 0 EHADRM Cc1cccc(C)c1[C@@H]1CCCN1C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000864152935 1137217361 /nfs/dbraw/zinc/21/73/61/1137217361.db2.gz SXJLCRIIHBJAAV-IJDCCNJMSA-N -1 0 339.391 3.972 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)/C=C\c1ccsc1C(F)(F)F ZINC000864153324 1137217376 /nfs/dbraw/zinc/21/73/76/1137217376.db2.gz BLZFXTKTFJTHCH-QNTBOZKRSA-N -1 0 347.358 3.540 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)/C=C/c1ccsc1C(F)(F)F ZINC000864153322 1137217397 /nfs/dbraw/zinc/21/73/97/1137217397.db2.gz BLZFXTKTFJTHCH-HSUNOJPOSA-N -1 0 347.358 3.540 20 0 EHADRM C[C@H](CCc1ccc(F)cc1)C(=O)NCc1ccc(C(=O)[O-])cc1F ZINC000864154565 1137217403 /nfs/dbraw/zinc/21/74/03/1137217403.db2.gz VJNOEBWQEBLLDZ-GFCCVEGCSA-N -1 0 347.361 3.548 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2CC3(CC3(F)F)C2)c2ccccc12 ZINC000864175429 1137217876 /nfs/dbraw/zinc/21/78/76/1137217876.db2.gz KUHAXRLRJLMKLT-UHFFFAOYSA-N -1 0 331.318 3.912 20 0 EHADRM CC(C)(C)[C@H]1Cc2ccccc2N(C(=O)c2ccc(C(=O)[O-])cn2)C1 ZINC000864175011 1137217910 /nfs/dbraw/zinc/21/79/10/1137217910.db2.gz MMAXEBCQOHCYMA-HNNXBMFYSA-N -1 0 338.407 3.645 20 0 EHADRM C[C@@H]1CN(C(=O)c2sccc2-c2ccc(F)cc2)C[C@@]1(C)C(=O)[O-] ZINC000864181605 1137218109 /nfs/dbraw/zinc/21/81/09/1137218109.db2.gz QPIQMKBHJIWDMI-ADLMAVQZSA-N -1 0 347.411 3.737 20 0 EHADRM Cc1ccc(-c2ccccc2NC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)s1 ZINC000864179709 1137218191 /nfs/dbraw/zinc/21/81/91/1137218191.db2.gz SRKYSOCLLMZQIH-QSGSBWRWSA-N -1 0 345.420 3.540 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)c1ccc(-c2ccc(F)cc2)s1)C1CC1 ZINC000864197689 1137218736 /nfs/dbraw/zinc/21/87/36/1137218736.db2.gz JNLGALYZPHAEGZ-SFHVURJKSA-N -1 0 347.411 3.927 20 0 EHADRM CCOC1(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)CCCC1 ZINC000864225567 1137219024 /nfs/dbraw/zinc/21/90/24/1137219024.db2.gz VUEKPJURYPLGSB-UHFFFAOYSA-N -1 0 327.380 3.826 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)c2cnc(C(C)(C)C)s2)c1 ZINC000864227524 1137219359 /nfs/dbraw/zinc/21/93/59/1137219359.db2.gz DGGDNJACTXOGJP-CYBMUJFWSA-N -1 0 346.452 3.695 20 0 EHADRM O=C([N-]CCc1csc(Cc2cccc(Cl)c2)n1)C(F)(F)F ZINC000864367422 1137224097 /nfs/dbraw/zinc/22/40/97/1137224097.db2.gz XHUOKJWZJDRQGS-UHFFFAOYSA-N -1 0 348.777 3.608 20 0 EHADRM CC(C)(C)c1csc(CNc2cc3c(c(C(=O)[O-])c2)OCCO3)n1 ZINC000864510758 1137231015 /nfs/dbraw/zinc/23/10/15/1137231015.db2.gz DMQYCQVJOQAZJA-UHFFFAOYSA-N -1 0 348.424 3.522 20 0 EHADRM O=C(NCC1(Sc2ccccc2)CC1)c1cc(F)cc(F)c1[O-] ZINC001144072967 1137235133 /nfs/dbraw/zinc/23/51/33/1137235133.db2.gz RSNSYFIGYOSVQP-UHFFFAOYSA-N -1 0 335.375 3.725 20 0 EHADRM O=C([O-])CN(C(=O)Nc1ccc(F)c(C(F)F)c1)C1CCCC1 ZINC000864585384 1137235600 /nfs/dbraw/zinc/23/56/00/1137235600.db2.gz YWLKYZKWAQFLSE-UHFFFAOYSA-N -1 0 330.306 3.624 20 0 EHADRM Cc1nc(C=Cc2ccccc2-c2ccccc2)[nH]c(=O)c1CC(=O)[O-] ZINC000794714852 1137242841 /nfs/dbraw/zinc/24/28/41/1137242841.db2.gz TXFBPJHJYCTJQE-VAWYXSNFSA-N -1 0 346.386 3.955 20 0 EHADRM Cc1ncc(S(=O)(=O)[N-]c2cc(Cl)c(C)c(Cl)c2)s1 ZINC000339073496 1137286296 /nfs/dbraw/zinc/28/62/96/1137286296.db2.gz ZUALHYBOXFRNIL-UHFFFAOYSA-N -1 0 337.253 3.868 20 0 EHADRM O=C(CCc1ccccc1O)Nc1c(Cl)ccc([O-])c1Cl ZINC001144514021 1137304094 /nfs/dbraw/zinc/30/40/94/1137304094.db2.gz IQRVFUOMQVVYFH-UHFFFAOYSA-N -1 0 326.179 3.976 20 0 EHADRM C[C@]1(CCNC(=O)c2ccc3[n-]c(=S)oc3c2)C[C@]1(F)Cl ZINC000846406727 1137350781 /nfs/dbraw/zinc/35/07/81/1137350781.db2.gz OMENEPRGIRNVNY-UONOGXRCSA-N -1 0 328.796 3.551 20 0 EHADRM CCc1noc(C)c1[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000339075181 1137371480 /nfs/dbraw/zinc/37/14/80/1137371480.db2.gz USVHXDLSHYKLQU-UHFFFAOYSA-N -1 0 338.360 3.540 20 0 EHADRM O=C(c1c([O-])cccc1F)N(Cc1ccc(F)cc1)CC(F)(F)F ZINC001147164137 1137400978 /nfs/dbraw/zinc/40/09/78/1137400978.db2.gz OHCYCXYFHUZFNG-UHFFFAOYSA-N -1 0 345.267 3.875 20 0 EHADRM C[C@@H]1CC(NC(=O)c2cccc(Br)c2[O-])C[C@@H](C)C1 ZINC001147331545 1137404428 /nfs/dbraw/zinc/40/44/28/1137404428.db2.gz MATRSRRDIOLEQP-UWVGGRQHSA-N -1 0 326.234 3.709 20 0 EHADRM C[C@@H]1CCC[C@@H](CNC(=O)c2cc(Cl)c3ccccc3c2[O-])O1 ZINC001147762749 1137411871 /nfs/dbraw/zinc/41/18/71/1137411871.db2.gz BQPAKIGPJWOMJI-NEPJUHHUSA-N -1 0 333.815 3.886 20 0 EHADRM Cn1cc(-n2cc(C(=O)Nc3ccccc3[S-])c3ccccc32)cn1 ZINC001148055098 1137416999 /nfs/dbraw/zinc/41/69/99/1137416999.db2.gz VPEUEEZUIVMEHI-UHFFFAOYSA-N -1 0 348.431 3.905 20 0 EHADRM COCc1ccc(C(=O)Nc2ccc3[n-]c(=S)sc3c2)cc1 ZINC001148448984 1137425140 /nfs/dbraw/zinc/42/51/40/1137425140.db2.gz KWZHZHFVBOZWLA-UHFFFAOYSA-N -1 0 330.434 3.984 20 0 EHADRM CCc1oc(C(=O)NCc2oc3ccc(F)cc3c2C)cc1C(=O)[O-] ZINC000339086924 1137434514 /nfs/dbraw/zinc/43/45/14/1137434514.db2.gz NNQDYZLTXLLZAB-UHFFFAOYSA-N -1 0 345.326 3.664 20 0 EHADRM CCc1oc(C(=O)N(Cc2ccco2)Cc2ccco2)cc1C(=O)[O-] ZINC000339088989 1137437637 /nfs/dbraw/zinc/43/76/37/1137437637.db2.gz LKRRWSOOOYCRBK-UHFFFAOYSA-N -1 0 343.335 3.569 20 0 EHADRM C[C@@H](C1CC1)N(C(=O)c1n[n-]c2ccccc2c1=O)c1ccccc1 ZINC000869881013 1137470180 /nfs/dbraw/zinc/47/01/80/1137470180.db2.gz WZZHQOWWVHEROW-ZDUSSCGKSA-N -1 0 333.391 3.781 20 0 EHADRM CCOc1ccc(SCC(=O)[N-]OCCCC(F)(F)F)cc1 ZINC000871210681 1137527180 /nfs/dbraw/zinc/52/71/80/1137527180.db2.gz VIZFSQPCBSPBOM-UHFFFAOYSA-N -1 0 337.363 3.568 20 0 EHADRM C[C@H](Oc1ccc(F)cc1Cl)C(=O)[N-]OCCCC(F)(F)F ZINC000871213219 1137527530 /nfs/dbraw/zinc/52/75/30/1137527530.db2.gz MBUSMEOMDRYJLD-QMMMGPOBSA-N -1 0 343.704 3.637 20 0 EHADRM O=C(Nc1nccc(Br)c1[O-])c1ccc(Cl)s1 ZINC001150025171 1137545915 /nfs/dbraw/zinc/54/59/15/1137545915.db2.gz KFTLQPKCIBCDLT-UHFFFAOYSA-N -1 0 333.594 3.517 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)N(c3ccccc3)c3ccccc3)C[C@@H]21 ZINC000871774530 1137557976 /nfs/dbraw/zinc/55/79/76/1137557976.db2.gz COSOEDPHFIIOGV-FGTMMUONSA-N -1 0 336.391 3.597 20 0 EHADRM Cc1sc2ncnc(-n3[n-]c4c(c3=O)CCC(C)(C)C4)c2c1C ZINC000871941562 1137563565 /nfs/dbraw/zinc/56/35/65/1137563565.db2.gz ZHWIYCDNEIKOCB-NSHDSACASA-N -1 0 328.441 3.837 20 0 EHADRM CCc1cc(-n2[n-]c(CCC(C)C)cc2=O)nc(-c2ccccn2)n1 ZINC000871952236 1137563633 /nfs/dbraw/zinc/56/36/33/1137563633.db2.gz WEOPFFRQAXCISW-UHFFFAOYSA-N -1 0 337.427 3.630 20 0 EHADRM Cc1c([N-]S(=O)(=O)Cc2c(C)cccc2C)noc1C(C)(C)C ZINC000872008541 1137564422 /nfs/dbraw/zinc/56/44/22/1137564422.db2.gz MGDWDWUVLGHRNO-UHFFFAOYSA-N -1 0 336.457 3.839 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)Nc2ccc(CC(=O)[O-])cc2)c1 ZINC000872718611 1137583121 /nfs/dbraw/zinc/58/31/21/1137583121.db2.gz AKQCPPNOACQTBT-UHFFFAOYSA-N -1 0 327.380 3.743 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2sccc2C(F)F)n1 ZINC000872733128 1137583332 /nfs/dbraw/zinc/58/33/32/1137583332.db2.gz QWJAHEHAENPBPM-VIFPVBQESA-N -1 0 343.355 3.560 20 0 EHADRM O=C([O-])[C@@H](CC1CC1)NC(=O)c1occc1CSc1ccccc1 ZINC000872746710 1137583549 /nfs/dbraw/zinc/58/35/49/1137583549.db2.gz KGZKOJBPKDKPCS-OAHLLOKOSA-N -1 0 345.420 3.555 20 0 EHADRM CCC[C@@H](CC)C(=O)N1CCC(c2nc(C)c(C(=O)[O-])s2)CC1 ZINC000872741494 1137583607 /nfs/dbraw/zinc/58/36/07/1137583607.db2.gz GTJVCERZTNYKHZ-GFCCVEGCSA-N -1 0 338.473 3.682 20 0 EHADRM Cc1cc2occ(C(=O)N3CC[C@]4(C(=O)[O-])CCC[C@H]34)c2cc1C ZINC000872765728 1137583987 /nfs/dbraw/zinc/58/39/87/1137583987.db2.gz ZDYYXCJLYNFISJ-QFBILLFUSA-N -1 0 327.380 3.519 20 0 EHADRM C[C@@H](NC(=O)C(C)(C)CCC(=O)[O-])c1cccc(OC(F)(F)F)c1 ZINC000872849106 1137585412 /nfs/dbraw/zinc/58/54/12/1137585412.db2.gz AEQTYXFUEPAXGW-SNVBAGLBSA-N -1 0 347.333 3.653 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)C(C)(C)SCC(=O)[O-] ZINC000872848996 1137585467 /nfs/dbraw/zinc/58/54/67/1137585467.db2.gz QTRHTJMDILHQGP-UHFFFAOYSA-N -1 0 335.347 3.549 20 0 EHADRM CC(C)(SCC(=O)[O-])C(=O)N[C@H](CC1CCC1)c1ccccc1 ZINC000872855933 1137585697 /nfs/dbraw/zinc/58/56/97/1137585697.db2.gz RVXDVWCVIZKYEB-OAHLLOKOSA-N -1 0 335.469 3.631 20 0 EHADRM CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)C(C)(C)CCC(=O)[O-] ZINC000872936507 1137586737 /nfs/dbraw/zinc/58/67/37/1137586737.db2.gz VRTQKRNJHKTLKV-CYBMUJFWSA-N -1 0 345.443 3.685 20 0 EHADRM CCC(CC)(CC(=O)N[C@H]1CC2(CCC2)Oc2ccccc21)C(=O)[O-] ZINC000872953176 1137586894 /nfs/dbraw/zinc/58/68/94/1137586894.db2.gz ANJYXFHVRYJHDY-HNNXBMFYSA-N -1 0 345.439 3.830 20 0 EHADRM C[C@H]1c2ccc(F)cc2CCN1C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000872951741 1137586955 /nfs/dbraw/zinc/58/69/55/1137586955.db2.gz CBISOQAFHDXVAQ-ZDUSSCGKSA-N -1 0 333.403 3.697 20 0 EHADRM O=C([O-])[C@@H]1CN(Cc2c(Cl)cncc2Cl)Cc2ccccc21 ZINC000873642957 1137605733 /nfs/dbraw/zinc/60/57/33/1137605733.db2.gz AXSHSFJMVRKZDF-GFCCVEGCSA-N -1 0 337.206 3.572 20 0 EHADRM CCO[C@H]1C[C@@H](N(C)C(=O)c2c([O-])cccc2F)C12CCCCC2 ZINC001137083286 1137626046 /nfs/dbraw/zinc/62/60/46/1137626046.db2.gz HCEYVHHBTIOZJV-CVEARBPZSA-N -1 0 335.419 3.731 20 0 EHADRM CCO[C@@H]1C[C@@H](N(C)C(=O)c2c([O-])cccc2F)C12CCCCC2 ZINC001137083288 1137626059 /nfs/dbraw/zinc/62/60/59/1137626059.db2.gz HCEYVHHBTIOZJV-HZPDHXFCSA-N -1 0 335.419 3.731 20 0 EHADRM CC(C)OCc1cccc(-c2ccc(OCC(=O)[O-])c(C=O)c2)c1 ZINC000874969979 1137627276 /nfs/dbraw/zinc/62/72/76/1137627276.db2.gz WLGFZUZLRYVFBQ-UHFFFAOYSA-N -1 0 328.364 3.555 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2c(F)cccc2Cl)cnc1Cl ZINC000126275232 1137666752 /nfs/dbraw/zinc/66/67/52/1137666752.db2.gz CNICUJBPAZNJCV-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@H](C)[C@H]2CC2(F)F)c1 ZINC000877570972 1137681594 /nfs/dbraw/zinc/68/15/94/1137681594.db2.gz VLLHRJJNQPCFEP-BXKDBHETSA-N -1 0 336.304 3.629 20 0 EHADRM CC[C@@H](C)CO[N-]C(=O)c1cc2cccc(C(F)(F)F)c2[nH]c1=O ZINC000880090574 1137767826 /nfs/dbraw/zinc/76/78/26/1137767826.db2.gz MCVVYDVFKMECBX-SECBINFHSA-N -1 0 342.317 3.667 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC000888826958 1137783100 /nfs/dbraw/zinc/78/31/00/1137783100.db2.gz SWPRTHBAQGATCZ-SGTLLEGYSA-N -1 0 328.799 3.592 20 0 EHADRM O=C(c1ccc(C(F)(F)F)cc1O)N1CCC2(CCCCO2)CC1 ZINC000882437180 1137827216 /nfs/dbraw/zinc/82/72/16/1137827216.db2.gz BMXMNPRIPZHFJX-UHFFFAOYSA-N -1 0 343.345 3.586 20 0 EHADRM Cn1ncc(Cl)c1-c1nc(-c2ccc3[n-]c(=S)sc3c2)no1 ZINC001212789290 1137832320 /nfs/dbraw/zinc/83/23/20/1137832320.db2.gz BAJVGIALDRBTKX-UHFFFAOYSA-N -1 0 349.828 3.689 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ncsc2C2CC2)cc(C)c1F ZINC000882771856 1137833898 /nfs/dbraw/zinc/83/38/98/1137833898.db2.gz WDKJABURWLYSAT-UHFFFAOYSA-N -1 0 326.418 3.577 20 0 EHADRM O=S(=O)(Cc1cccc(Cl)c1)[N-]c1ncsc1C1CC1 ZINC000882772884 1137833936 /nfs/dbraw/zinc/83/39/36/1137833936.db2.gz PELDBNBDZPDDGL-UHFFFAOYSA-N -1 0 328.846 3.616 20 0 EHADRM CC(F)(F)CCS(=O)(=O)[N-][C@@H](c1cccc(Cl)c1)C(F)F ZINC000882818626 1137835085 /nfs/dbraw/zinc/83/50/85/1137835085.db2.gz UFPFSNPXDBTSDW-JTQLQIEISA-N -1 0 347.761 3.611 20 0 EHADRM CC(C)(C)c1csc(CCNC(=O)c2ccc([O-])c(Cl)c2)n1 ZINC000104928455 1137879650 /nfs/dbraw/zinc/87/96/50/1137879650.db2.gz WNHVTKMZBULOHI-UHFFFAOYSA-N -1 0 338.860 3.772 20 0 EHADRM COc1ccc(C)c(F)c1Nc1ccc(Cl)cc1S(=O)(=O)[O-] ZINC001214630968 1137888132 /nfs/dbraw/zinc/88/81/32/1137888132.db2.gz IUEVWKKOOZPBOM-UHFFFAOYSA-N -1 0 345.779 3.786 20 0 EHADRM C[C@H](c1ccc(OC(F)(F)F)cc1)[S@](=O)C=C([O-])c1ccc[nH]1 ZINC000108116733 1137888798 /nfs/dbraw/zinc/88/87/98/1137888798.db2.gz WFJPKPKRDFIQMQ-WYVULQQZSA-N -1 0 345.342 3.606 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N2CCC[C@@H]2c2cccs2)s1 ZINC000331563606 1137912761 /nfs/dbraw/zinc/91/27/61/1137912761.db2.gz JTJGYQNUUTWEGO-SECBINFHSA-N -1 0 340.499 3.503 20 0 EHADRM CCCc1nc(=NC(=O)N2C[C@@H](C)C[C@H]2c2cccc(F)c2)s[n-]1 ZINC000331627468 1137914981 /nfs/dbraw/zinc/91/49/81/1137914981.db2.gz YVHMUANHDQHFOR-FZMZJTMJSA-N -1 0 348.447 3.667 20 0 EHADRM Nc1c(F)c(F)c(Nc2cc(F)c(C(=O)[O-])c(F)c2)c(F)c1F ZINC001203328414 1137937206 /nfs/dbraw/zinc/93/72/06/1137937206.db2.gz TXJCKAFAARJYHF-UHFFFAOYSA-N -1 0 336.191 3.545 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2s[n-]c(=O)c2Cl)C1 ZINC000282935846 1137999294 /nfs/dbraw/zinc/99/92/94/1137999294.db2.gz DCVYBBFROCUEJD-GHMZBOCLSA-N -1 0 336.844 3.829 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1s[n-]c(=O)c1Cl ZINC000282942455 1138019755 /nfs/dbraw/zinc/01/97/55/1138019755.db2.gz DNCWJRJJNVTSEV-MRVPVSSYSA-N -1 0 345.251 3.859 20 0 EHADRM O=C(NCC[C@H]1OCCc2ccccc21)c1cc(F)c([O-])c(Cl)c1 ZINC000885931976 1138026069 /nfs/dbraw/zinc/02/60/69/1138026069.db2.gz MJDGGNLQAPJCTL-MRXNPFEDSA-N -1 0 349.789 3.619 20 0 EHADRM CCSCc1cccnc1[N-]S(=O)(=O)c1sc(C)cc1C ZINC000886442129 1138078313 /nfs/dbraw/zinc/07/83/13/1138078313.db2.gz QMDQOHSOIYGABL-UHFFFAOYSA-N -1 0 342.511 3.814 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000074426112 1138120563 /nfs/dbraw/zinc/12/05/63/1138120563.db2.gz JTXWLCLKDBIJJA-ZDUSSCGKSA-N -1 0 347.484 3.550 20 0 EHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])o1 ZINC000887306676 1138259887 /nfs/dbraw/zinc/25/98/87/1138259887.db2.gz YUUNEEVWSWNKPZ-WBOSRHFRSA-N -1 0 343.423 3.555 20 0 EHADRM CCC(=O)N(C)c1ccc(NC(=O)[C@](C)(CC(=O)[O-])CC(C)C)cc1 ZINC000887315408 1138262406 /nfs/dbraw/zinc/26/24/06/1138262406.db2.gz SSMVSPYXDNYKCV-IBGZPJMESA-N -1 0 348.443 3.525 20 0 EHADRM CC(=O)c1c(C)cc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)cc1C ZINC000887315591 1138262425 /nfs/dbraw/zinc/26/24/25/1138262425.db2.gz XRZKXJVOWJFIQQ-KRWDZBQOSA-N -1 0 339.391 3.703 20 0 EHADRM Cc1ccc(C)c(NC(=O)N[C@@](C)(Cc2ccc(F)cc2)C(=O)[O-])c1 ZINC000887381218 1138293142 /nfs/dbraw/zinc/29/31/42/1138293142.db2.gz LLIXVJSFPSDSCK-IBGZPJMESA-N -1 0 344.386 3.650 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1)C(=O)[O-] ZINC000887382285 1138294086 /nfs/dbraw/zinc/29/40/86/1138294086.db2.gz CDTWIXDQVVCQTP-ZWNOBZJWSA-N -1 0 336.285 3.634 20 0 EHADRM Cc1c(C(=O)Nc2ccc3[n-]c(=S)oc3c2)cnn1CC(C)C ZINC000126708028 1138336581 /nfs/dbraw/zinc/33/65/81/1138336581.db2.gz WBIGBPNXDCTFFL-UHFFFAOYSA-N -1 0 330.413 3.530 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N[C@@H]2C[C@H]2c2ccccc2)s1 ZINC000336917675 1138427244 /nfs/dbraw/zinc/42/72/44/1138427244.db2.gz DAEUTSVNMIOBBA-UONOGXRCSA-N -1 0 330.457 3.541 20 0 EHADRM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccc(C)nc3)c2)n1 ZINC000337141020 1138477355 /nfs/dbraw/zinc/47/73/55/1138477355.db2.gz RVABZIOADGWQPQ-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM CN(Cc1cnc2ccccc2c1)Cc1nc(=O)c2sccc2[n-]1 ZINC000337212738 1138496911 /nfs/dbraw/zinc/49/69/11/1138496911.db2.gz VSSJNXKLOZOJGO-UHFFFAOYSA-N -1 0 336.420 3.577 20 0 EHADRM CCc1nc([C@H](C)NC(=O)CC2(C(=O)[O-])CCCCCC2)cs1 ZINC000264798379 1138642589 /nfs/dbraw/zinc/64/25/89/1138642589.db2.gz ZJFTXUTYCBQUSG-LBPRGKRZSA-N -1 0 338.473 3.698 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)c2cccc(SC)c2)n1 ZINC000337772279 1138664319 /nfs/dbraw/zinc/66/43/19/1138664319.db2.gz ORMRMXTXGYGXRQ-UHFFFAOYSA-N -1 0 328.484 3.618 20 0 EHADRM CO[C@H](C)c1nc(=N[C@@H](C)[C@H](OC)c2ccc(Cl)cc2)s[n-]1 ZINC000337878843 1138689244 /nfs/dbraw/zinc/68/92/44/1138689244.db2.gz SKUXWJLUBIFFHS-CWSCBRNRSA-N -1 0 341.864 3.509 20 0 EHADRM CO[C@H](C)c1nc(=NC(=O)C[C@@H]2C[C@H](C)c3c2cccc3C)s[n-]1 ZINC000338028955 1138727780 /nfs/dbraw/zinc/72/77/80/1138727780.db2.gz POBOJFNQZPJNLW-XQQFMLRXSA-N -1 0 345.468 3.595 20 0 EHADRM CCc1oc(C(=O)Nc2c(C)cccc2SC)cc1C(=O)OC ZINC000338456128 1138924158 /nfs/dbraw/zinc/92/41/58/1138924158.db2.gz OPHARJHSXMIUFM-UHFFFAOYSA-N -1 0 333.409 3.911 20 0 EHADRM CCc1cc2c(CN[C@H](C)c3ncc(C)s3)cc(=O)oc2cc1O ZINC000175238792 1139474761 /nfs/dbraw/zinc/47/47/61/1139474761.db2.gz XJWBLJDKWYTSBP-LLVKDONJSA-N -1 0 344.436 3.677 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N(C)CC1CCCCC1)C(=O)[O-] ZINC000177951224 1139658365 /nfs/dbraw/zinc/65/83/65/1139658365.db2.gz CYDJIJNUMVPQHX-CYBMUJFWSA-N -1 0 335.469 3.904 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1C ZINC000180020130 1139802317 /nfs/dbraw/zinc/80/23/17/1139802317.db2.gz JGGZUJWABGXMIZ-SOLBZPMBSA-N -1 0 329.440 3.858 20 0 EHADRM O=C(C[C@@H]1CCCN1C(=O)c1cc(F)c([O-])c(F)c1)c1ccccc1 ZINC000180143808 1139812527 /nfs/dbraw/zinc/81/25/27/1139812527.db2.gz BZBWWPAWEFSNQK-AWEZNQCLSA-N -1 0 345.345 3.548 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)CCc1nc2ccccc2o1)C(=O)[O-] ZINC000777368514 1139893145 /nfs/dbraw/zinc/89/31/45/1139893145.db2.gz AXELDXJAMMVJCP-LJQANCHMSA-N -1 0 346.427 3.690 20 0 EHADRM Cc1ccsc1[C@H]1C[C@@H]1C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000181652901 1139921857 /nfs/dbraw/zinc/92/18/57/1139921857.db2.gz ILWIZISPLROUQI-JYJNAYRXSA-N -1 0 343.448 3.882 20 0 EHADRM Cc1nc2c(s1)[C@@H](N(C)C(=O)c1ccc([O-])c(Cl)c1)CCC2 ZINC000183604758 1140049296 /nfs/dbraw/zinc/04/92/96/1140049296.db2.gz AZFJHWCXMQMQNJ-ZDUSSCGKSA-N -1 0 336.844 3.960 20 0 EHADRM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(C(=O)[O-])co1 ZINC000183776483 1140057726 /nfs/dbraw/zinc/05/77/26/1140057726.db2.gz APUXTDYDNZBSPV-HOTGVXAUSA-N -1 0 327.380 3.776 20 0 EHADRM CCCCC[C@](C)(CC)C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000187514013 1140258746 /nfs/dbraw/zinc/25/87/46/1140258746.db2.gz NSZVVDPVISFEBT-SFHVURJKSA-N -1 0 349.500 3.940 20 0 EHADRM Cc1nc([C@H]2CCCN2C(=O)c2cc(F)cc(Cl)c2[O-])cs1 ZINC000189251955 1140330571 /nfs/dbraw/zinc/33/05/71/1140330571.db2.gz MEFHGIRNLXSIER-CYBMUJFWSA-N -1 0 340.807 3.927 20 0 EHADRM Cc1occc1S([O-])=CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000189642566 1140357733 /nfs/dbraw/zinc/35/77/33/1140357733.db2.gz RFVTWHNUPUDMTJ-IVZQSRNASA-N -1 0 339.482 3.661 20 0 EHADRM C[C@H](C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1)c1cccc(F)c1 ZINC000191541278 1140471025 /nfs/dbraw/zinc/47/10/25/1140471025.db2.gz CGNIUAQKBJYWTB-KSSFIOAISA-N -1 0 343.398 3.522 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cc(C)ccc2F)cnn1C1CCCC1 ZINC000194228246 1140602684 /nfs/dbraw/zinc/60/26/84/1140602684.db2.gz DZTUIIQJRXAXHU-UHFFFAOYSA-N -1 0 337.420 3.555 20 0 EHADRM Cc1ccc([C@H]2CSCCN2C(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000194416506 1140608385 /nfs/dbraw/zinc/60/83/85/1140608385.db2.gz IOZHKTZHXPFMSP-OFLPRAFFSA-N -1 0 347.480 3.503 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)C2CCC(C(=O)[O-])CC2)C1 ZINC000194419565 1140608713 /nfs/dbraw/zinc/60/87/13/1140608713.db2.gz WOHOXVIEYHKTEE-RDHHWEPZSA-N -1 0 329.440 3.590 20 0 EHADRM O=C([O-])C1CCC(C(=O)NC2CCC(c3ccccc3)CC2)CC1 ZINC000194428023 1140609636 /nfs/dbraw/zinc/60/96/36/1140609636.db2.gz VXAUMGBXSOSVHG-UHFFFAOYSA-N -1 0 329.440 3.720 20 0 EHADRM O=C([O-])[C@H]1CC[C@@H](NC(=O)c2ccc(-c3ccccc3Cl)o2)C1 ZINC000194493475 1140612250 /nfs/dbraw/zinc/61/22/50/1140612250.db2.gz ISDFCVTVZWNXBA-WDEREUQCSA-N -1 0 333.771 3.583 20 0 EHADRM CC(C)c1cc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)no1 ZINC000267087200 1140757905 /nfs/dbraw/zinc/75/79/05/1140757905.db2.gz RMIWWHXHODYGNM-UHFFFAOYSA-N -1 0 334.319 3.618 20 0 EHADRM COc1ccc(CCCCCC(=O)NC(C)(C)CCC(=O)[O-])cc1 ZINC000268898699 1141020355 /nfs/dbraw/zinc/02/03/55/1141020355.db2.gz ROTAYYKCKKJBEW-UHFFFAOYSA-N -1 0 335.444 3.558 20 0 EHADRM CCC(=O)c1cccc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000269400146 1141103759 /nfs/dbraw/zinc/10/37/59/1141103759.db2.gz YTXZNYXJOFNUDM-FQEVSTJZSA-N -1 0 339.391 3.650 20 0 EHADRM O=C([O-])CC1(CC(=O)NCC2(C(F)(F)F)CCC2)CCCCC1 ZINC000349001371 1141620821 /nfs/dbraw/zinc/62/08/21/1141620821.db2.gz GFJCBLNAJSVJFD-UHFFFAOYSA-N -1 0 335.366 3.651 20 0 EHADRM Cc1nc(C=Cc2ccc(C(C)(C)C)cc2)[nH]c(=O)c1CC(=O)[O-] ZINC000349105726 1141639734 /nfs/dbraw/zinc/63/97/34/1141639734.db2.gz HESJJJGGRDNVOU-JXMROGBWSA-N -1 0 326.396 3.586 20 0 EHADRM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1ccccc1N(C)C ZINC000349139604 1141644073 /nfs/dbraw/zinc/64/40/73/1141644073.db2.gz GBDTYFGITGZXFM-UHFFFAOYSA-N -1 0 348.399 3.747 20 0 EHADRM Cc1cccc(O)c1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000038052596 213198684 /nfs/dbraw/zinc/19/86/84/213198684.db2.gz QIJCTBIJGIVCBT-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2csc(Br)c2)s1 ZINC000035425275 213027678 /nfs/dbraw/zinc/02/76/78/213027678.db2.gz WGXJOVQDDCQETE-UHFFFAOYSA-N -1 0 332.200 3.523 20 0 EHADRM COc1ccc(Cl)cc1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000021024264 212200567 /nfs/dbraw/zinc/20/05/67/212200567.db2.gz URUGFETXTFQSGF-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM O=C([O-])CCCCCCNC(=O)CSCc1cccc(Cl)c1 ZINC000299259165 527577539 /nfs/dbraw/zinc/57/75/39/527577539.db2.gz FABNVJAIGSMNTO-UHFFFAOYSA-N -1 0 343.876 3.725 20 0 EHADRM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000818085508 596925361 /nfs/dbraw/zinc/92/53/61/596925361.db2.gz ZCYDLVILBOLTKG-RDTXWAMCSA-N -1 0 338.407 3.724 20 0 EHADRM O=C([O-])C1CCN(C(=O)c2occc2CSc2ccccc2)CC1 ZINC000238033286 596932724 /nfs/dbraw/zinc/93/27/24/596932724.db2.gz JTJGUWQHONAWGH-UHFFFAOYSA-N -1 0 345.420 3.509 20 0 EHADRM C[C@H](Sc1ncc(-c2ccccc2)n1CC(F)(F)F)C(=O)[O-] ZINC000739052791 597052904 /nfs/dbraw/zinc/05/29/04/597052904.db2.gz MHPQBRSZHRPWPR-VIFPVBQESA-N -1 0 330.331 3.678 20 0 EHADRM CCCOc1ccc(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)c(C)c1 ZINC000582349907 597118721 /nfs/dbraw/zinc/11/87/21/597118721.db2.gz UGEIFEJYDAWXTR-CQSZACIVSA-N -1 0 334.416 3.502 20 0 EHADRM CC(C)(C)Oc1ccccc1NC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000564187820 597120513 /nfs/dbraw/zinc/12/05/13/597120513.db2.gz KGIZBZISOJWLAD-ZDUSSCGKSA-N -1 0 334.416 3.583 20 0 EHADRM C[C@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000321320175 597187481 /nfs/dbraw/zinc/18/74/81/597187481.db2.gz OGLXXOOHOZOLTR-NSHDSACASA-N -1 0 332.787 3.850 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N(CCc2ccccc2)C2CC2)c1 ZINC000738623491 597192771 /nfs/dbraw/zinc/19/27/71/597192771.db2.gz HHZRRDDHSCNRHE-UHFFFAOYSA-N -1 0 338.407 3.553 20 0 EHADRM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCCCCCC(=O)[O-] ZINC000414626846 597235605 /nfs/dbraw/zinc/23/56/05/597235605.db2.gz MMNUWBMCJUBGSC-ZDUSSCGKSA-N -1 0 332.400 3.780 20 0 EHADRM CCN(C(=O)NCc1ccc(C(=O)[O-])cc1)[C@@H](C)c1ccc(F)cc1 ZINC000414611629 597299873 /nfs/dbraw/zinc/29/98/73/597299873.db2.gz PCCOFUQADWHJLO-ZDUSSCGKSA-N -1 0 344.386 3.817 20 0 EHADRM CCCN(Cc1ccccc1F)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818176373 597329903 /nfs/dbraw/zinc/32/99/03/597329903.db2.gz SRABKBFCHCAGDB-UHFFFAOYSA-N -1 0 344.386 3.897 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000819603014 597332164 /nfs/dbraw/zinc/33/21/64/597332164.db2.gz ROYJQDITKHWTGM-UHFFFAOYSA-N -1 0 342.370 3.649 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000819609526 597335853 /nfs/dbraw/zinc/33/58/53/597335853.db2.gz KKUZRGAYLWAQNQ-IJEWVQPXSA-N -1 0 330.428 3.794 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000819610335 597336992 /nfs/dbraw/zinc/33/69/92/597336992.db2.gz POMFMILESJZRRD-KRWDZBQOSA-N -1 0 342.370 3.822 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Nc2cccc(-c3ncco3)c2)c1 ZINC000821538547 597389095 /nfs/dbraw/zinc/38/90/95/597389095.db2.gz QSYPEOQLUIZXBZ-UHFFFAOYSA-N -1 0 337.335 3.613 20 0 EHADRM C[C@@H](C(=O)[O-])N(C)C(=S)Nc1ccc(Oc2ccccc2)cc1 ZINC000817768557 597479171 /nfs/dbraw/zinc/47/91/71/597479171.db2.gz COAFSJIUMGDURV-LBPRGKRZSA-N -1 0 330.409 3.581 20 0 EHADRM CC(C)(C)Oc1c(F)cc(NC(=O)NCCCCC(=O)[O-])cc1F ZINC000669502799 597724004 /nfs/dbraw/zinc/72/40/04/597724004.db2.gz TWDSXGVZKRRLTP-UHFFFAOYSA-N -1 0 344.358 3.519 20 0 EHADRM CCC(CC)n1ccc(COc2ccc(-c3nn[nH]n3)cc2Cl)n1 ZINC000820898176 607326364 /nfs/dbraw/zinc/32/63/64/607326364.db2.gz VYDZBRDBAKBBGJ-UHFFFAOYSA-N -1 0 346.822 3.657 20 0 EHADRM CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000820261112 598140196 /nfs/dbraw/zinc/14/01/96/598140196.db2.gz BQHRKSNSGWBPHK-UHFFFAOYSA-N -1 0 346.770 3.639 20 0 EHADRM CC(C)(C)OCc1ccc(NC(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000819927523 598147601 /nfs/dbraw/zinc/14/76/01/598147601.db2.gz LKYMVEQJHZLJCH-UHFFFAOYSA-N -1 0 348.443 3.767 20 0 EHADRM CC[C@@H](C)n1ncc(NC(=O)c2ccc(C(=O)[O-])cc2)c1C1CC1 ZINC000820272342 598158905 /nfs/dbraw/zinc/15/89/05/598158905.db2.gz AXSJAADVAQWYPO-LLVKDONJSA-N -1 0 327.384 3.682 20 0 EHADRM COc1ccc([C@@H]2CCCCCN2C(=O)NCCCCC(=O)[O-])cc1 ZINC000666557181 598170062 /nfs/dbraw/zinc/17/00/62/598170062.db2.gz BGRNPHZJRBIYFO-KRWDZBQOSA-N -1 0 348.443 3.577 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCSc2ccc(F)cc2)c(F)c1 ZINC000321342788 599704886 /nfs/dbraw/zinc/70/48/86/599704886.db2.gz IXCCHUUCSMBTID-UHFFFAOYSA-N -1 0 337.347 3.784 20 0 EHADRM Cc1ccc(Oc2ccccc2NC(=O)CCCNC(=O)[O-])cc1 ZINC000738648343 599708775 /nfs/dbraw/zinc/70/87/75/599708775.db2.gz BSZCBIIBFLVVLJ-UHFFFAOYSA-N -1 0 328.368 3.774 20 0 EHADRM Cc1nc(=O)[nH]c(SCc2ccc(CC(C)C)cc2)c1C(=O)[O-] ZINC000738228858 599709219 /nfs/dbraw/zinc/70/92/19/599709219.db2.gz CWUDILJMINFBCT-UHFFFAOYSA-N -1 0 332.425 3.680 20 0 EHADRM O=C([O-])NCCCC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000739963890 599712155 /nfs/dbraw/zinc/71/21/55/599712155.db2.gz NEZVFXNINKFKFK-KRWDZBQOSA-N -1 0 346.814 3.593 20 0 EHADRM C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)CCCNC(=O)[O-] ZINC000736724442 599718554 /nfs/dbraw/zinc/71/85/54/599718554.db2.gz MJGBOFQXRYGBDD-CQSZACIVSA-N -1 0 346.452 3.886 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N[C@H]2C[C@H]2c2ccccc2)ccc1F ZINC000740004765 599718792 /nfs/dbraw/zinc/71/87/92/599718792.db2.gz FKLDXXWPSJMULQ-JSGCOSHPSA-N -1 0 329.331 3.593 20 0 EHADRM CCC[C@H](NC(=O)CCCNC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000736970776 599728406 /nfs/dbraw/zinc/72/84/06/599728406.db2.gz PBVYLZNTFDODCP-ZDUSSCGKSA-N -1 0 347.242 3.999 20 0 EHADRM CCC[C@](C)(NC(=O)/C=C\c1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000736954493 599732991 /nfs/dbraw/zinc/73/29/91/599732991.db2.gz LQGDISXYJFBQRH-DUQGCJEPSA-N -1 0 345.439 3.781 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(C(=O)CCCN(C)C(=O)[O-])C1CC1 ZINC000736725582 599737952 /nfs/dbraw/zinc/73/79/52/599737952.db2.gz VHXMKDDXCMTJQE-LBPRGKRZSA-N -1 0 338.835 3.782 20 0 EHADRM CCN(C(=O)CCSCC(=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000737052845 599750534 /nfs/dbraw/zinc/75/05/34/599750534.db2.gz JFGTUMBUDUXFTM-GFCCVEGCSA-N -1 0 335.425 3.550 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)Nc1cccc(C(F)F)c1)c1ccccc1 ZINC000386222443 599758616 /nfs/dbraw/zinc/75/86/16/599758616.db2.gz KDJANNZPAZMTNV-CQSZACIVSA-N -1 0 334.322 3.962 20 0 EHADRM Cc1nc(-c2ccco2)ccc1C(=O)Nc1sccc1C(=O)[O-] ZINC000738837505 599765208 /nfs/dbraw/zinc/76/52/08/599765208.db2.gz CXILUHWBQREXEW-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000532615109 599769823 /nfs/dbraw/zinc/76/98/23/599769823.db2.gz XNCVZLIFKACXAY-UHFFFAOYSA-N -1 0 332.425 3.844 20 0 EHADRM CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000736904416 599781145 /nfs/dbraw/zinc/78/11/45/599781145.db2.gz AAOKOTAJFOTANF-MRXNPFEDSA-N -1 0 326.396 3.836 20 0 EHADRM Cc1sc(NC(=O)c2cnn(-c3ccccc3)c2)c(C(=O)[O-])c1C ZINC000391732731 599795008 /nfs/dbraw/zinc/79/50/08/599795008.db2.gz FKNCTMLUFSVPPO-UHFFFAOYSA-N -1 0 341.392 3.501 20 0 EHADRM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccsc1C(=O)[O-] ZINC000037451771 599803082 /nfs/dbraw/zinc/80/30/82/599803082.db2.gz MTYNSBLNWXZRQO-MRVPVSSYSA-N -1 0 325.773 3.506 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000738531779 599806119 /nfs/dbraw/zinc/80/61/19/599806119.db2.gz CHORFHBQVAGWCD-OAHLLOKOSA-N -1 0 342.370 3.854 20 0 EHADRM CCc1ccc(-c2csc(NC(=O)CCCN(C)C(=O)[O-])n2)cc1 ZINC000737252369 599806796 /nfs/dbraw/zinc/80/67/96/599806796.db2.gz NMAXZEWLAYNFEZ-UHFFFAOYSA-N -1 0 347.440 3.701 20 0 EHADRM CC(C)(C)c1nc(C(=O)N(CCC(=O)[O-])Cc2ccccc2)cs1 ZINC000675947726 599809026 /nfs/dbraw/zinc/80/90/26/599809026.db2.gz SJNBETXFWQVOKC-UHFFFAOYSA-N -1 0 346.452 3.558 20 0 EHADRM Cc1nc(-c2ccc3ccccc3c2)n(Cc2cc(C(=O)[O-])co2)n1 ZINC000738828759 599809687 /nfs/dbraw/zinc/80/96/87/599809687.db2.gz CNGMVKGYAVJXNP-UHFFFAOYSA-N -1 0 333.347 3.746 20 0 EHADRM COc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)c(Cl)c1 ZINC000737931646 599809957 /nfs/dbraw/zinc/80/99/57/599809957.db2.gz YZFNPUQPVWSYQN-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])C2)sc1-c1cccc(Cl)c1 ZINC000178268440 599817109 /nfs/dbraw/zinc/81/71/09/599817109.db2.gz WCVBLMUMFHCXOB-LBPRGKRZSA-N -1 0 349.839 3.924 20 0 EHADRM Cc1cccc2c1CCN(C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)C2 ZINC000738318976 599817176 /nfs/dbraw/zinc/81/71/76/599817176.db2.gz CIZCMBUTBBJJOK-UHFFFAOYSA-N -1 0 344.798 3.937 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)N[C@H](c2ccccc2)C2CCC2)cc1 ZINC000739879733 599820541 /nfs/dbraw/zinc/82/05/41/599820541.db2.gz TXNKDIKTAVJKPT-LJQANCHMSA-N -1 0 338.407 3.977 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)CC2CCC(c3ccccc3)CC2)C1 ZINC000136149533 599823928 /nfs/dbraw/zinc/82/39/28/599823928.db2.gz XWCOCGNIJZUGEV-VMWRSERWSA-N -1 0 329.440 3.674 20 0 EHADRM CCCCN(Cc1ccccc1Cl)C(=O)[C@H](NC(=O)[O-])C(C)C ZINC000736994210 599824370 /nfs/dbraw/zinc/82/43/70/599824370.db2.gz PPFSFNQDTXQJDM-OAHLLOKOSA-N -1 0 340.851 3.761 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CNC(=O)Nc2ccc(CCC(=O)[O-])cc2)o1 ZINC000736766319 599824694 /nfs/dbraw/zinc/82/46/94/599824694.db2.gz RGWIEZVKQKFFRO-BLLLJJGKSA-N -1 0 342.395 3.742 20 0 EHADRM CN(C(=O)c1ccc(CSc2ccccc2)cc1)C(C)(C)C(=O)[O-] ZINC000262508653 599827072 /nfs/dbraw/zinc/82/70/72/599827072.db2.gz ZVRVPNWPALSMTH-UHFFFAOYSA-N -1 0 343.448 3.914 20 0 EHADRM CCN(Cc1cccs1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000322722588 599828193 /nfs/dbraw/zinc/82/81/93/599828193.db2.gz REGSZXQLGIZAGI-UHFFFAOYSA-N -1 0 332.425 3.819 20 0 EHADRM CC(C)c1ccc(C(=O)COC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000736511697 599828444 /nfs/dbraw/zinc/82/84/44/599828444.db2.gz ASCUEDKIFNMXFF-UHFFFAOYSA-N -1 0 326.348 3.548 20 0 EHADRM Cc1cc(C(=O)COC(=O)c2ccccc2C(=O)[O-])c(C)c(C)c1C ZINC000738320990 599829793 /nfs/dbraw/zinc/82/97/93/599829793.db2.gz VNLOPGNXMSTHSY-UHFFFAOYSA-N -1 0 340.375 3.658 20 0 EHADRM CCCOc1ccc(/C=C(/C(=O)[O-])c2ccncc2)cc1OCC ZINC000737031802 599831131 /nfs/dbraw/zinc/83/11/31/599831131.db2.gz RDUSFVADVDJGAL-FOWTUZBSSA-N -1 0 327.380 3.894 20 0 EHADRM C[C@H]1CCCC[C@@H]1CC(=O)N(CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000736779684 599832948 /nfs/dbraw/zinc/83/29/48/599832948.db2.gz JUOQRDBSUMBHCY-GXTWGEPZSA-N -1 0 339.382 3.594 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000736627491 599834547 /nfs/dbraw/zinc/83/45/47/599834547.db2.gz QYIFCQWBVRAOTL-SNVBAGLBSA-N -1 0 347.411 3.891 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)c1ccc3ncccc3c1)CCC2 ZINC000324812034 599834548 /nfs/dbraw/zinc/83/45/48/599834548.db2.gz SQJAMVWXFZJHDU-UHFFFAOYSA-N -1 0 338.388 3.736 20 0 EHADRM O=C([O-])c1ccccc1CSc1nnc(NCC(F)(F)F)s1 ZINC000740240240 599838587 /nfs/dbraw/zinc/83/85/87/599838587.db2.gz QSQYFFIFFOLUGZ-UHFFFAOYSA-N -1 0 349.359 3.503 20 0 EHADRM CN(C(=O)Cc1ccccc1C(F)(F)F)c1ccccc1C(=O)[O-] ZINC000737325161 599840512 /nfs/dbraw/zinc/84/05/12/599840512.db2.gz HDCRYTABMIWNIF-UHFFFAOYSA-N -1 0 337.297 3.609 20 0 EHADRM Cc1ccc(C)c(N(C(=O)c2ccc(OCC(=O)[O-])cc2)C(C)C)c1 ZINC000738573068 599840731 /nfs/dbraw/zinc/84/07/31/599840731.db2.gz FJDFZBSAFBHURX-UHFFFAOYSA-N -1 0 341.407 3.822 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000738122014 599842987 /nfs/dbraw/zinc/84/29/87/599842987.db2.gz WQCOTTPPWXYVKF-NSHDSACASA-N -1 0 331.343 3.665 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OC(=O)[C@@H]1CCOc2ccccc21 ZINC000740074848 599844037 /nfs/dbraw/zinc/84/40/37/599844037.db2.gz DTVATEQCECWAFY-GFCCVEGCSA-N -1 0 332.739 3.510 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)CSc1ccc2c(c1)CCC2 ZINC000324909269 599846050 /nfs/dbraw/zinc/84/60/50/599846050.db2.gz WYVMFFLOXLXBQS-UHFFFAOYSA-N -1 0 345.395 3.743 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)c1cccc(Br)c1 ZINC000035306058 599847025 /nfs/dbraw/zinc/84/70/25/599847025.db2.gz QXKQVLUDRARHIG-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2cccc(F)c2C(=O)[O-])cc1 ZINC000324767207 599847363 /nfs/dbraw/zinc/84/73/63/599847363.db2.gz BLHDIDQEJMQYNP-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)COc1cccc2ccccc21 ZINC000739337178 599848395 /nfs/dbraw/zinc/84/83/95/599848395.db2.gz NVIRLBJTIFJHOR-UHFFFAOYSA-N -1 0 339.322 3.695 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)/C=C/c2cccs2)cc1 ZINC000181874219 599848474 /nfs/dbraw/zinc/84/84/74/599848474.db2.gz BXVAVNZCQLAWSV-XVJNWHFHSA-N -1 0 347.461 3.815 20 0 EHADRM Cc1ccc(OCc2ccn(-c3cccc(F)c3)n2)c(C(=O)[O-])c1 ZINC000738649285 599856161 /nfs/dbraw/zinc/85/61/61/599856161.db2.gz PFXYIPHZKPEGDI-UHFFFAOYSA-N -1 0 326.327 3.597 20 0 EHADRM Cc1ccc(C)c2sc(NC(=O)[C@@H](CC(C)C)NC(=O)[O-])nc21 ZINC000738578663 599863029 /nfs/dbraw/zinc/86/30/29/599863029.db2.gz HJCWBGSDVNNFJY-LLVKDONJSA-N -1 0 335.429 3.534 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)NC2CCCCC2)cc1 ZINC000738199384 599863042 /nfs/dbraw/zinc/86/30/42/599863042.db2.gz ADDCVYZJVDUQLX-OAHLLOKOSA-N -1 0 336.457 3.556 20 0 EHADRM CCc1cccc(OCCOC(=O)c2ccccc2NC(=O)[O-])c1 ZINC000737270362 599867882 /nfs/dbraw/zinc/86/78/82/599867882.db2.gz QORRLXRZDWVDIE-UHFFFAOYSA-N -1 0 329.352 3.575 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)N[C@@H]1CCCN(C(=O)[O-])C1)c1ccccc1 ZINC000736252067 599870110 /nfs/dbraw/zinc/87/01/10/599870110.db2.gz YARNWSWDJLZGHT-CVEARBPZSA-N -1 0 347.459 3.606 20 0 EHADRM CCCO[C@@H]1CCCN(C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)CC1 ZINC000737027973 599879706 /nfs/dbraw/zinc/87/97/06/599879706.db2.gz JKXPYRSHSUPWQV-MRXNPFEDSA-N -1 0 349.431 3.614 20 0 EHADRM Cc1ccc(SCCC(=O)OCc2cc(C(=O)[O-])co2)cc1C ZINC000738667909 599880374 /nfs/dbraw/zinc/88/03/74/599880374.db2.gz KZEVYLQHGLWAGJ-UHFFFAOYSA-N -1 0 334.393 3.820 20 0 EHADRM CCC[C@H](NC(=O)Nc1nc(CC(=O)[O-])cs1)C1CCCCC1 ZINC000736975050 599880775 /nfs/dbraw/zinc/88/07/75/599880775.db2.gz ZAOMDNDGWGLOCG-ZDUSSCGKSA-N -1 0 339.461 3.641 20 0 EHADRM Cc1c(C(=O)OCc2cc(C(=O)[O-])co2)sc2nccc(C)c12 ZINC000738797631 599881931 /nfs/dbraw/zinc/88/19/31/599881931.db2.gz GUGJESWIIKCNOU-UHFFFAOYSA-N -1 0 331.349 3.561 20 0 EHADRM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)OCc1cc(C(=O)[O-])co1 ZINC000736704863 599883367 /nfs/dbraw/zinc/88/33/67/599883367.db2.gz XTEMSNGNCMAHHF-GFCCVEGCSA-N -1 0 346.379 3.786 20 0 EHADRM O=C([O-])CCCCCNC(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000739668308 599888622 /nfs/dbraw/zinc/88/86/22/599888622.db2.gz PHAUPHISBFTKRJ-QZTJIDSGSA-N -1 0 346.471 3.732 20 0 EHADRM O=C([O-])N1CCC[C@H](NC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000739489913 599889402 /nfs/dbraw/zinc/88/94/02/599889402.db2.gz UAODHYUNCARJSN-HNNXBMFYSA-N -1 0 339.395 3.618 20 0 EHADRM C[C@H](CN(C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)C1CC1)C(=O)[O-] ZINC000237611366 599897557 /nfs/dbraw/zinc/89/75/57/599897557.db2.gz WCIHUVVTEWZPTK-UPRAQXHNSA-N -1 0 337.419 3.655 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N[C@H](c2ccco2)c2ccccc2)c1 ZINC000740028942 599898008 /nfs/dbraw/zinc/89/80/08/599898008.db2.gz LLIWLHYSRYBVNQ-KRWDZBQOSA-N -1 0 336.347 3.889 20 0 EHADRM CC(C)N(Cc1ccccc1F)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736470823 599902847 /nfs/dbraw/zinc/90/28/47/599902847.db2.gz AMUDJGYGQRUGTA-UHFFFAOYSA-N -1 0 330.359 3.966 20 0 EHADRM COCCN(C(=O)c1cccc(NC(=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC000737765908 599903263 /nfs/dbraw/zinc/90/32/63/599903263.db2.gz XDWOQJOSEQNDRP-AWEZNQCLSA-N -1 0 342.395 3.626 20 0 EHADRM CCCCOc1cccc(CNC(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000736999895 599905438 /nfs/dbraw/zinc/90/54/38/599905438.db2.gz MFCIOEVOOUKJCS-UHFFFAOYSA-N -1 0 342.395 3.885 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000236717577 599907184 /nfs/dbraw/zinc/90/71/84/599907184.db2.gz PVQGEHSCTPKWPL-CQSZACIVSA-N -1 0 345.361 3.682 20 0 EHADRM CCOc1cccc([C@@H](C)NC(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000737209643 599910359 /nfs/dbraw/zinc/91/03/59/599910359.db2.gz ADOMDQLQBGODNI-GFCCVEGCSA-N -1 0 328.368 3.666 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2nc3cc(F)c(F)cc3s2)c1 ZINC000740037979 599910793 /nfs/dbraw/zinc/91/07/93/599910793.db2.gz ZWHGLTGXAXDHJD-UHFFFAOYSA-N -1 0 349.318 3.917 20 0 EHADRM O=Cc1cc(C(=O)[O-])ccc1OCc1ccccc1Br ZINC000740317344 599911566 /nfs/dbraw/zinc/91/15/66/599911566.db2.gz ONWUVYGKDOBXDM-UHFFFAOYSA-N -1 0 335.153 3.539 20 0 EHADRM CC(C)[C@H](CC(=O)N[C@@H](C(=O)[O-])c1cccs1)c1ccccc1 ZINC000448987289 599911571 /nfs/dbraw/zinc/91/15/71/599911571.db2.gz ASXZNWLFVUASPG-WMLDXEAASA-N -1 0 331.437 3.820 20 0 EHADRM C[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1cccs1)c1ccccc1F ZINC000237372948 599912738 /nfs/dbraw/zinc/91/27/38/599912738.db2.gz OLQGLTJVBUQFCT-RISCZKNCSA-N -1 0 335.400 3.713 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OC(=O)Cc1csc(C(C)(C)C)n1 ZINC000738541528 599913199 /nfs/dbraw/zinc/91/31/99/599913199.db2.gz ULVKCTTUBZTARI-UHFFFAOYSA-N -1 0 333.409 3.595 20 0 EHADRM Cc1cc(NC(=O)CCCOc2cccc(F)c2)ccc1C(=O)[O-] ZINC000237698921 599914312 /nfs/dbraw/zinc/91/43/12/599914312.db2.gz LMHPGYDOMHMJTP-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM C[C@@H](CN(C(=O)[C@H](C)Sc1ccc(Cl)cc1)C1CC1)C(=O)[O-] ZINC000237456385 599921179 /nfs/dbraw/zinc/92/11/79/599921179.db2.gz SQTHCWVMHJXPJD-QWRGUYRKSA-N -1 0 341.860 3.532 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)c2ccc(F)c(F)c2)c1 ZINC000238075255 599922233 /nfs/dbraw/zinc/92/22/33/599922233.db2.gz OSKJHXIMWOUHFU-UHFFFAOYSA-N -1 0 337.347 3.535 20 0 EHADRM C[C@H](CN(C(=O)CCc1ccc(-c2ccccc2)o1)C1CC1)C(=O)[O-] ZINC000237597265 599923873 /nfs/dbraw/zinc/92/38/73/599923873.db2.gz MFKAPEDZWGLATD-CQSZACIVSA-N -1 0 341.407 3.591 20 0 EHADRM Cc1cccc(-c2cccc(CNC(=O)c3cccc(C(=O)[O-])n3)c2)c1 ZINC000738680435 599927255 /nfs/dbraw/zinc/92/72/55/599927255.db2.gz HJYRKJQGOFDHNW-UHFFFAOYSA-N -1 0 346.386 3.685 20 0 EHADRM CC(C)Oc1ccccc1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000262233972 599928906 /nfs/dbraw/zinc/92/89/06/599928906.db2.gz VQJYEXJXWFJBQP-UHFFFAOYSA-N -1 0 327.380 3.743 20 0 EHADRM Cn1cccc1[C@@H]1CCCCCN1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000739043473 599929355 /nfs/dbraw/zinc/92/93/55/599929355.db2.gz PSDVWBRZOFUNRS-KRWDZBQOSA-N -1 0 341.411 3.873 20 0 EHADRM O=C([O-])c1sc2ccccc2c1COC(=O)Cc1ccsc1 ZINC000739349379 599943934 /nfs/dbraw/zinc/94/39/34/599943934.db2.gz LQXUIUJSXKXVOI-UHFFFAOYSA-N -1 0 332.402 3.947 20 0 EHADRM CC(C)c1ccc(SCC(=O)Nc2cccc(C(=O)[O-])c2O)cc1 ZINC000736521239 599946408 /nfs/dbraw/zinc/94/64/08/599946408.db2.gz NSPKBQIVEITAKR-UHFFFAOYSA-N -1 0 345.420 3.945 20 0 EHADRM O=C([O-])c1occc1COC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000740281629 599953776 /nfs/dbraw/zinc/95/37/76/599953776.db2.gz NKBGYKCJNFSDIX-SJORKVTESA-N -1 0 336.343 3.978 20 0 EHADRM C[C@H](OC(=O)Cc1csc(C(C)(C)C)n1)c1ccc(C(=O)[O-])cc1 ZINC000738227617 599954838 /nfs/dbraw/zinc/95/48/38/599954838.db2.gz GSUVKDFQTIXRRK-NSHDSACASA-N -1 0 347.436 3.986 20 0 EHADRM Cc1ccc2oc(C(=O)N[C@@H](C(=O)[O-])c3cc(F)ccc3F)cc2c1 ZINC000738677837 599970059 /nfs/dbraw/zinc/97/00/59/599970059.db2.gz WUYYVPWVYMYQQZ-MRXNPFEDSA-N -1 0 345.301 3.575 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)Nc1cccc2[nH]ccc21)C(=O)[O-] ZINC000237384728 599987827 /nfs/dbraw/zinc/98/78/27/599987827.db2.gz KOBHPHQPDKKORS-LLVKDONJSA-N -1 0 340.404 3.985 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1cccc(NC(=O)[O-])c1)Nc1ccccc1 ZINC000736359343 599988435 /nfs/dbraw/zinc/98/84/35/599988435.db2.gz ZHWNYTXEEYVPLO-QGZVFWFLSA-N -1 0 341.411 3.643 20 0 EHADRM Cc1ccc(NC(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])c(C)c1 ZINC000738625761 599993832 /nfs/dbraw/zinc/99/38/32/599993832.db2.gz YAYWJUJYDNKYCY-HNNXBMFYSA-N -1 0 344.386 3.508 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000740066167 599998127 /nfs/dbraw/zinc/99/81/27/599998127.db2.gz LONDWIXDTMUNJL-ZJUUUORDSA-N -1 0 335.281 3.544 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)OCCCOc2ccc(F)cc2)c1 ZINC000740036863 599998427 /nfs/dbraw/zinc/99/84/27/599998427.db2.gz OXDYPKBEQNHFCI-UHFFFAOYSA-N -1 0 333.315 3.542 20 0 EHADRM CCc1cccc(OCCOC(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000737269346 599999099 /nfs/dbraw/zinc/99/90/99/599999099.db2.gz AKQHYSGQUUVYCI-UHFFFAOYSA-N -1 0 329.352 3.575 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)CSc2cc(C)ccc2C)c1 ZINC000325385767 600004538 /nfs/dbraw/zinc/00/45/38/600004538.db2.gz BBQIPJNRVASDJA-UHFFFAOYSA-N -1 0 345.420 3.741 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(c1ncc(C(F)(F)F)cc1Cl)C2 ZINC000321585395 600006534 /nfs/dbraw/zinc/00/65/34/600006534.db2.gz DMAQBRLJCYSHHD-UHFFFAOYSA-N -1 0 342.704 3.972 20 0 EHADRM CC(C)[C@@H](Sc1ccccc1)C(=O)Nc1ncc(C(=O)[O-])s1 ZINC000736389820 600006721 /nfs/dbraw/zinc/00/67/21/600006721.db2.gz FDJPJFBCOILGRP-GFCCVEGCSA-N -1 0 336.438 3.597 20 0 EHADRM O=C([O-])C1CCC(Nc2nc(-c3cccnc3)nc3ccccc32)CC1 ZINC000739563849 600007033 /nfs/dbraw/zinc/00/70/33/600007033.db2.gz UORFNOGWGNFVBL-UHFFFAOYSA-N -1 0 348.406 3.747 20 0 EHADRM COc1ccc(CN(C)C(=O)Nc2cc(C(=O)[O-])ccc2F)cc1C ZINC000737995901 600008048 /nfs/dbraw/zinc/00/80/48/600008048.db2.gz STLDYVFSLHPPDZ-UHFFFAOYSA-N -1 0 346.358 3.505 20 0 EHADRM O=C([O-])c1cc(NC(=S)Nc2ccc(Cl)nc2)ccc1Cl ZINC000738672137 600008157 /nfs/dbraw/zinc/00/81/57/600008157.db2.gz JAUJGNMWUOTZDO-UHFFFAOYSA-N -1 0 342.207 3.896 20 0 EHADRM Cc1ccc(C(C)(C)CNC(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000738546771 600008246 /nfs/dbraw/zinc/00/82/46/600008246.db2.gz MDKAJBWYXKJRAC-UHFFFAOYSA-N -1 0 344.386 3.932 20 0 EHADRM Cc1cccc(C[C@H](CNC(=O)Nc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC000738709906 600009755 /nfs/dbraw/zinc/00/97/55/600009755.db2.gz YXYKPXWCSRXVRA-CQSZACIVSA-N -1 0 346.814 3.713 20 0 EHADRM CC(C)(C)[C@H]1CCc2sc(C(=O)N3CCC[C@@H](C(=O)[O-])C3)cc2C1 ZINC000236729366 600014451 /nfs/dbraw/zinc/01/44/51/600014451.db2.gz RMJRFFKGWZTODM-OCCSQVGLSA-N -1 0 349.496 3.836 20 0 EHADRM Cc1cc(NC(=O)NCc2ccc([C@H]3C[C@H]3C)o2)ccc1C(=O)[O-] ZINC000738440133 600014690 /nfs/dbraw/zinc/01/46/90/600014690.db2.gz INBLKGAXOCKPPL-ABAIWWIYSA-N -1 0 328.368 3.731 20 0 EHADRM C[C@H]1CCC[C@H](NC(=O)Nc2cccc(CSCC(=O)[O-])c2)C1 ZINC000736774838 600018237 /nfs/dbraw/zinc/01/82/37/600018237.db2.gz JCZDFGRQOBXGPI-JSGCOSHPSA-N -1 0 336.457 3.705 20 0 EHADRM O=C([O-])C1CCC(NC(=O)N[C@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000263137061 600019778 /nfs/dbraw/zinc/01/97/78/600019778.db2.gz ZHEAQVUQUGVAIN-FOIPXRHGSA-N -1 0 344.455 3.655 20 0 EHADRM Cc1cccc2sc(C(=O)N3CCC[C@H](C(=O)[O-])C3)c(Cl)c21 ZINC000590410678 600021620 /nfs/dbraw/zinc/02/16/20/600021620.db2.gz VMJCGADAIFDBFR-JTQLQIEISA-N -1 0 337.828 3.800 20 0 EHADRM CCCCCCOc1ccc(CC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000736990493 600022358 /nfs/dbraw/zinc/02/23/58/600022358.db2.gz NNWZRNIOHCLAFV-KRWDZBQOSA-N -1 0 347.455 3.511 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000739889283 600024798 /nfs/dbraw/zinc/02/47/98/600024798.db2.gz PNRXJICFKMFHAT-UHFFFAOYSA-N -1 0 339.174 3.769 20 0 EHADRM Cc1sc(-c2ccco2)nc1C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000738989092 600025645 /nfs/dbraw/zinc/02/56/45/600025645.db2.gz ANXOCKHBWRRGDR-UHFFFAOYSA-N -1 0 343.360 3.558 20 0 EHADRM Cc1oc(-c2cccs2)nc1C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000738955198 600025694 /nfs/dbraw/zinc/02/56/94/600025694.db2.gz DBGRHNSFGITNAU-UHFFFAOYSA-N -1 0 343.360 3.558 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)Cc2c(Cl)cccc2Cl)c1 ZINC000739888427 600028476 /nfs/dbraw/zinc/02/84/76/600028476.db2.gz LODICSJJPHJRKK-UHFFFAOYSA-N -1 0 339.174 3.769 20 0 EHADRM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000560905791 600031801 /nfs/dbraw/zinc/03/18/01/600031801.db2.gz CIVMWZMAHBUIQE-UHFFFAOYSA-N -1 0 346.471 3.769 20 0 EHADRM O=C([O-])c1ccc(OC(=O)CC2=CCCCC2)c(Br)c1 ZINC000739218790 600037394 /nfs/dbraw/zinc/03/73/94/600037394.db2.gz NWBUSQQMMKOTSP-UHFFFAOYSA-N -1 0 339.185 3.943 20 0 EHADRM CC(C)COc1ccc(CC(=O)Nc2ccc(F)cc2C(=O)[O-])cc1 ZINC000736445311 600037568 /nfs/dbraw/zinc/03/75/68/600037568.db2.gz GFNAXEOKIQJDHX-UHFFFAOYSA-N -1 0 345.370 3.740 20 0 EHADRM CCOc1ccccc1[C@@H](C)NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000263523288 600037951 /nfs/dbraw/zinc/03/79/51/600037951.db2.gz IJHPPIOFKQRTPN-CQSZACIVSA-N -1 0 341.407 3.594 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N[C@H]2CCc3cc(Cl)ccc32)cc1 ZINC000238073059 600041135 /nfs/dbraw/zinc/04/11/35/600041135.db2.gz CBEOTLCWADQRDX-KRWDZBQOSA-N -1 0 343.810 3.775 20 0 EHADRM Cc1cccc(C(C)(C)CNC(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000237613360 600041757 /nfs/dbraw/zinc/04/17/57/600041757.db2.gz XJOLXSWTSUXEST-UHFFFAOYSA-N -1 0 339.435 3.720 20 0 EHADRM Cc1cc2occ(CC(=O)N3Cc4ccc(C(=O)[O-])cc4C3)c2cc1C ZINC000738487535 600043254 /nfs/dbraw/zinc/04/32/54/600043254.db2.gz ZECZDFWKLYUWLF-UHFFFAOYSA-N -1 0 349.386 3.833 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)CCSc1ccccc1F)C2 ZINC000326206000 600043724 /nfs/dbraw/zinc/04/37/24/600043724.db2.gz WRHFPECYQHGQRZ-UHFFFAOYSA-N -1 0 345.395 3.549 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1cc(Cl)cc(Cl)c1)C2 ZINC000317248253 600044381 /nfs/dbraw/zinc/04/43/81/600044381.db2.gz FXFWIMYBGVENKW-UHFFFAOYSA-N -1 0 336.174 3.848 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)/C=C/c1ccc(Cl)cc1)C2 ZINC000321772470 600045989 /nfs/dbraw/zinc/04/59/89/600045989.db2.gz RNNZNHNOTIOLNJ-FPYGCLRLSA-N -1 0 327.767 3.594 20 0 EHADRM Cc1cc(C(=O)[O-])c2sc(NC(=O)CC3=CCCCC3)nc2n1 ZINC000738343348 600047300 /nfs/dbraw/zinc/04/73/00/600047300.db2.gz TXGDIGBWNGXEMY-UHFFFAOYSA-N -1 0 331.397 3.527 20 0 EHADRM Cc1cc(C(=O)[O-])c2sc(NC(=O)C[C@H]3CCCC[C@@H]3C)nc2n1 ZINC000738340910 600050132 /nfs/dbraw/zinc/05/01/32/600050132.db2.gz CJLNRFQJTOGOJG-GXSJLCMTSA-N -1 0 347.440 3.853 20 0 EHADRM CC/C(=C\C(=O)Nc1ccc(OCCC(=O)[O-])cc1)c1ccccc1 ZINC000736837431 600062746 /nfs/dbraw/zinc/06/27/46/600062746.db2.gz WOOZKNJCYISXPV-CCEZHUSRSA-N -1 0 339.391 3.972 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccccc1Oc1ccccc1Cl ZINC000485664767 600063436 /nfs/dbraw/zinc/06/34/36/600063436.db2.gz CWENJCLSLAULSB-WDEREUQCSA-N -1 0 331.755 3.792 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)c2ccc(Cl)o2)c1 ZINC000238213633 600067423 /nfs/dbraw/zinc/06/74/23/600067423.db2.gz ICEJUZXJSYQBEI-UHFFFAOYSA-N -1 0 339.800 3.893 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1c[nH]c3cc(Cl)ccc13)C2 ZINC000740199958 600072848 /nfs/dbraw/zinc/07/28/48/600072848.db2.gz WTNIQVWZJRVNHB-UHFFFAOYSA-N -1 0 340.766 3.676 20 0 EHADRM CSc1ccc(C)c(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000391206615 600073275 /nfs/dbraw/zinc/07/32/75/600073275.db2.gz HDKHGFSAWCTWMZ-UHFFFAOYSA-N -1 0 327.405 3.571 20 0 EHADRM CC(C)[C@@H](C)NC(=O)COc1cc(-c2ccccc2)sc1C(=O)[O-] ZINC000736350869 600076142 /nfs/dbraw/zinc/07/61/42/600076142.db2.gz AZFOEQOPHZNMMG-GFCCVEGCSA-N -1 0 347.436 3.653 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2ccc(-c3cnco3)cc2)ccc1F ZINC000740006349 600087505 /nfs/dbraw/zinc/08/75/05/600087505.db2.gz BRLZHBAOPREEBD-UHFFFAOYSA-N -1 0 341.298 3.823 20 0 EHADRM Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000738246789 600088256 /nfs/dbraw/zinc/08/82/56/600088256.db2.gz KYOZZZXXMYFFHL-UHFFFAOYSA-N -1 0 341.342 3.887 20 0 EHADRM CC[C@H]1c2ccsc2CCN1CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000736948927 600105550 /nfs/dbraw/zinc/10/55/50/600105550.db2.gz ILSXMUZRZNLBIU-ZDUSSCGKSA-N -1 0 346.452 3.583 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1nc(-c2ccc(OCc3ccccc3)cc2)no1 ZINC000739559453 600108976 /nfs/dbraw/zinc/10/89/76/600108976.db2.gz FGABZSOSRSTPAR-HZPDHXFCSA-N -1 0 336.347 3.504 20 0 EHADRM CCSc1ccc(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)cn1 ZINC000737231819 600111300 /nfs/dbraw/zinc/11/13/00/600111300.db2.gz UNZVSYHVGQBIBK-UHFFFAOYSA-N -1 0 327.365 3.609 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)Nc1ccc(F)cc1Cl)C2 ZINC000391127262 600111340 /nfs/dbraw/zinc/11/13/40/600111340.db2.gz LTPZCTZAGJQOKP-UHFFFAOYSA-N -1 0 334.734 3.725 20 0 EHADRM COc1ccccc1C(C)=CC(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000738120196 600112274 /nfs/dbraw/zinc/11/22/74/600112274.db2.gz KPTCFADUABDDKV-VAWYXSNFSA-N -1 0 327.336 3.794 20 0 EHADRM O=C([O-])c1ccc(-c2noc(CCOc3ccc(Cl)cc3)n2)cc1 ZINC000740101304 600113047 /nfs/dbraw/zinc/11/30/47/600113047.db2.gz GMXCUOBTFRYPRK-UHFFFAOYSA-N -1 0 344.754 3.710 20 0 EHADRM O=C([O-])c1ccc(-c2noc(CCc3ccc(Cl)cc3)n2)cc1 ZINC000740101346 600113894 /nfs/dbraw/zinc/11/38/94/600113894.db2.gz IBOJCRYICLIVJH-UHFFFAOYSA-N -1 0 328.755 3.873 20 0 EHADRM Cc1[nH]nc(NC(=O)CCc2ccc(C(=O)[O-])cc2)c1-c1ccccc1 ZINC000738822824 600116477 /nfs/dbraw/zinc/11/64/77/600116477.db2.gz CPTVVUYAKVJBML-UHFFFAOYSA-N -1 0 349.390 3.655 20 0 EHADRM CC(C)(C(=O)OCc1ccc(F)cc1C(=O)[O-])c1ccc(F)cc1 ZINC000736233338 600117129 /nfs/dbraw/zinc/11/71/29/600117129.db2.gz XABNRMZUQGPJEI-UHFFFAOYSA-N -1 0 334.318 3.684 20 0 EHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC000736394414 600120819 /nfs/dbraw/zinc/12/08/19/600120819.db2.gz GXUWEZXLKHVSPI-ZBFHGGJFSA-N -1 0 348.443 3.876 20 0 EHADRM Cc1cc2cc(NC(=O)N(C)Cc3cc(C(=O)[O-])c(C)o3)ccc2[nH]1 ZINC000738479449 600121944 /nfs/dbraw/zinc/12/19/44/600121944.db2.gz QGPNPQRGTBAXAC-UHFFFAOYSA-N -1 0 341.367 3.740 20 0 EHADRM COc1ccc2cc(C(=O)Nc3ccc(F)c(NC(=O)[O-])c3)[nH]c2c1 ZINC000738079644 600122899 /nfs/dbraw/zinc/12/28/99/600122899.db2.gz HEXDGQKXQQQFPE-UHFFFAOYSA-N -1 0 343.314 3.658 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H](c3ccccc3)CC2)s1 ZINC000237990289 600123702 /nfs/dbraw/zinc/12/37/02/600123702.db2.gz CUGHRVVAFDFDIR-CQSZACIVSA-N -1 0 329.421 3.856 20 0 EHADRM Cc1cc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c(C(=O)[O-])[nH]1 ZINC000738417084 600124496 /nfs/dbraw/zinc/12/44/96/600124496.db2.gz GBKYRWOXPLZJMC-LBPRGKRZSA-N -1 0 344.411 3.725 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)c1csc2c1CCCC2 ZINC000736185128 600124695 /nfs/dbraw/zinc/12/46/95/600124695.db2.gz DNAHLBCSHISUOP-UHFFFAOYSA-N -1 0 344.388 3.747 20 0 EHADRM CC[C@@](NC(=O)c1ccccc1SC)(C(=O)[O-])c1ccccc1 ZINC000507296889 600129706 /nfs/dbraw/zinc/12/97/06/600129706.db2.gz XIYDHEIFCMBCSW-SFHVURJKSA-N -1 0 329.421 3.528 20 0 EHADRM Cc1ccc(OC(=O)CCCOc2ccccc2F)c(C(=O)[O-])c1 ZINC000738637070 600131220 /nfs/dbraw/zinc/13/12/20/600131220.db2.gz ADMQKRWDTPYNSP-UHFFFAOYSA-N -1 0 332.327 3.597 20 0 EHADRM Cc1cc(CN2C[C@H](c3ccccc3)OCC2(C)C)oc1C(=O)[O-] ZINC000581077760 600144934 /nfs/dbraw/zinc/14/49/34/600144934.db2.gz NXRYTVRBBJBBIR-MRXNPFEDSA-N -1 0 329.396 3.638 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(N(C)C)cc2)ccc1C(=O)[O-] ZINC000738421976 600148260 /nfs/dbraw/zinc/14/82/60/600148260.db2.gz ISNQRRWNYKZQQN-QZTJIDSGSA-N -1 0 338.407 3.501 20 0 EHADRM CC(C)(NC(=O)[O-])C(=O)NCc1ccccc1Sc1ccccc1 ZINC000736332186 600149429 /nfs/dbraw/zinc/14/94/29/600149429.db2.gz QXZSBTDPYTVGTC-UHFFFAOYSA-N -1 0 344.436 3.500 20 0 EHADRM CC[C@@H](CC(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1)c1ccccc1 ZINC000486390430 600154109 /nfs/dbraw/zinc/15/41/09/600154109.db2.gz ZXRVNEKSFPTSEG-LPHOPBHVSA-N -1 0 339.435 3.863 20 0 EHADRM CCSc1ccccc1C(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000538470696 600158351 /nfs/dbraw/zinc/15/83/51/600158351.db2.gz PVQMOASNZLEGBN-MRXNPFEDSA-N -1 0 343.448 3.705 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)Cc2cccc3ccccc32)C(=O)[O-])cc1 ZINC000486368193 600160325 /nfs/dbraw/zinc/16/03/25/600160325.db2.gz FFOVGOXJWFCGTQ-HXUWFJFHSA-N -1 0 347.414 3.675 20 0 EHADRM Cc1ccc([C@H](CNC(=O)c2sccc2C2CC2)C(=O)[O-])cc1 ZINC000362814204 600160350 /nfs/dbraw/zinc/16/03/50/600160350.db2.gz ODQRRPARNHDWOI-HNNXBMFYSA-N -1 0 329.421 3.532 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cc(F)c(Cl)nc1Cl)c1ccccc1 ZINC000740296660 600165031 /nfs/dbraw/zinc/16/50/31/600165031.db2.gz BAPNLKVCJCRXBT-SNVBAGLBSA-N -1 0 344.125 3.510 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)C1(C)C ZINC000676022340 600165895 /nfs/dbraw/zinc/16/58/95/600165895.db2.gz VBQDVFRJAUPEPY-ZACQAIPSSA-N -1 0 329.440 3.518 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)NC[C@H](C(=O)[O-])c2ccc(C)cc2)C1(C)C ZINC000676022339 600165983 /nfs/dbraw/zinc/16/59/83/600165983.db2.gz VBQDVFRJAUPEPY-GVDBMIGSSA-N -1 0 329.440 3.518 20 0 EHADRM Cc1cc(C)cc(OCCC(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC000324799117 600166805 /nfs/dbraw/zinc/16/68/05/600166805.db2.gz OPEIRNNZFZAYAT-UHFFFAOYSA-N -1 0 331.343 3.548 20 0 EHADRM Cc1ccc(C(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)c(C)c1 ZINC000237843501 600167117 /nfs/dbraw/zinc/16/71/17/600167117.db2.gz CQBGHLFHGQKMFM-UHFFFAOYSA-N -1 0 347.361 3.699 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](c1cccc(Cl)c1)N(C)C ZINC000738526879 600174378 /nfs/dbraw/zinc/17/43/78/600174378.db2.gz VZDXUCWOQQQWCW-INIZCTEOSA-N -1 0 346.814 3.588 20 0 EHADRM CN(CCc1ccc(Cl)cc1)C(=O)Nc1ccsc1C(=O)[O-] ZINC000737449257 600178049 /nfs/dbraw/zinc/17/80/49/600178049.db2.gz PNWHQBFNVBFMPI-UHFFFAOYSA-N -1 0 338.816 3.806 20 0 EHADRM CCN(C(=O)/C=C/c1ccc2ccccc2n1)c1ccccc1C(=O)[O-] ZINC000737052578 600178637 /nfs/dbraw/zinc/17/86/37/600178637.db2.gz LOOUMWCLXIFREQ-BUHFOSPRSA-N -1 0 346.386 3.999 20 0 EHADRM CC(C)n1cc2cc(NC(=O)c3ccccc3NC(=O)[O-])ccc2n1 ZINC000736533189 600184195 /nfs/dbraw/zinc/18/41/95/600184195.db2.gz URUFIUOYKAOKAK-UHFFFAOYSA-N -1 0 338.367 3.959 20 0 EHADRM Cc1cccc(NC(=S)N2C[C@@H](C(=O)[O-])c3ccccc32)c1C ZINC000738736697 600189216 /nfs/dbraw/zinc/18/92/16/600189216.db2.gz RUHSQTKMWPZNOZ-CQSZACIVSA-N -1 0 326.421 3.689 20 0 EHADRM O=C([O-])[C@H]1CN(C(=S)Nc2ccc3c(c2)CCC3)c2ccccc21 ZINC000739616116 600189344 /nfs/dbraw/zinc/18/93/44/600189344.db2.gz YJHBHELEFONNEC-INIZCTEOSA-N -1 0 338.432 3.561 20 0 EHADRM CCn1cc(C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)c2ccccc21 ZINC000737298712 600193551 /nfs/dbraw/zinc/19/35/51/600193551.db2.gz BDIZFURYTSENJD-GOSISDBHSA-N -1 0 336.391 3.559 20 0 EHADRM CC(C)[C@H](OC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000736558005 600193929 /nfs/dbraw/zinc/19/39/29/600193929.db2.gz YNVBPAXQZJUDAV-YGRLFVJLSA-N -1 0 332.318 3.851 20 0 EHADRM C/C(=C/C(=O)Nc1ccc(OCCC(=O)[O-])cc1)c1cccc(F)c1 ZINC000236674952 600196327 /nfs/dbraw/zinc/19/63/27/600196327.db2.gz VJOLLIVCSBEYIK-QBFSEMIESA-N -1 0 343.354 3.721 20 0 EHADRM Cc1cc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1C(=O)[O-] ZINC000320417621 600198564 /nfs/dbraw/zinc/19/85/64/600198564.db2.gz PCOJFORXPBTOGP-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM C[C@H](CC(=O)N[C@H](CC(=O)[O-])c1cccs1)c1cccc(F)c1 ZINC000237399080 600206308 /nfs/dbraw/zinc/20/63/08/600206308.db2.gz OPELEIAWTXGIJI-BXUZGUMPSA-N -1 0 335.400 3.713 20 0 EHADRM C[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1ccccc1)c1cccc(F)c1 ZINC000237534662 600206351 /nfs/dbraw/zinc/20/63/51/600206351.db2.gz WKDXTFQEZBHPQX-SUMWQHHRSA-N -1 0 329.371 3.652 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NCC(=O)Nc2ccc3c(c2)CCC3)c1 ZINC000739308190 600207145 /nfs/dbraw/zinc/20/71/45/600207145.db2.gz HPQCXOXMBXPPGQ-UHFFFAOYSA-N -1 0 344.798 3.578 20 0 EHADRM C[C@H](CC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21)c1cccc(F)c1 ZINC000192949094 600207974 /nfs/dbraw/zinc/20/79/74/600207974.db2.gz CJHCHQLGSQITLO-MLGOLLRUSA-N -1 0 327.355 3.534 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000736376441 600208869 /nfs/dbraw/zinc/20/88/69/600208869.db2.gz OMXRMEVAHKUMCZ-INIZCTEOSA-N -1 0 334.416 3.629 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CC2=CCCCC2)c(OC(F)F)c1 ZINC000621564656 600210726 /nfs/dbraw/zinc/21/07/26/600210726.db2.gz QOAUALJYGBIBQZ-UHFFFAOYSA-N -1 0 325.311 3.815 20 0 EHADRM Cc1ccc([C@@H]2CSCCN2C(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000237904326 600211130 /nfs/dbraw/zinc/21/11/30/600211130.db2.gz MNCBPTRLUVHZEE-KRWDZBQOSA-N -1 0 341.432 3.624 20 0 EHADRM CN(Cc1c(F)c(F)c(F)c(F)c1F)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737454269 600212529 /nfs/dbraw/zinc/21/25/29/600212529.db2.gz HQUFQWWCFPHIRE-OAHLLOKOSA-N -1 0 345.267 3.640 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)C[C@@H]2CCCc3ccccc32)c2ccccc21 ZINC000192929954 600220526 /nfs/dbraw/zinc/22/05/26/600220526.db2.gz MGXONKXQWMTGFE-YJBOKZPZSA-N -1 0 335.403 3.712 20 0 EHADRM CC(=O)Nc1cccc(NC(=O)Nc2cccc(NC(=O)[O-])c2)c1C ZINC000736166761 600226278 /nfs/dbraw/zinc/22/62/78/600226278.db2.gz CHIHMOMKEJNAFO-UHFFFAOYSA-N -1 0 342.355 3.687 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)CCCc2c[nH]c3ccccc23)c2ccccc21 ZINC000177483023 600227029 /nfs/dbraw/zinc/22/70/29/600227029.db2.gz KNNGXYXHXYFTAR-QGZVFWFLSA-N -1 0 348.402 3.706 20 0 EHADRM C[C@@H]1CCCC[C@@H]1OCC(=O)Oc1cc(Cl)ccc1C(=O)[O-] ZINC000736781985 600241840 /nfs/dbraw/zinc/24/18/40/600241840.db2.gz BIECDXBVCMDDLJ-MFKMUULPSA-N -1 0 326.776 3.539 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)CCc1cc(Cl)cs1 ZINC000737867862 600246758 /nfs/dbraw/zinc/24/67/58/600246758.db2.gz RPPJLOGXOJITIX-UHFFFAOYSA-N -1 0 340.784 3.647 20 0 EHADRM CC(C)(C(=O)N1CCc2cc(C(=O)[O-])ccc21)c1cccc(Cl)c1 ZINC000736224157 600246978 /nfs/dbraw/zinc/24/69/78/600246978.db2.gz WZJPMLPQJOBWEG-UHFFFAOYSA-N -1 0 343.810 3.905 20 0 EHADRM Cc1oc(COC(=O)c2cc(C)ccc2N2CCCC2)cc1C(=O)[O-] ZINC000738616396 600248829 /nfs/dbraw/zinc/24/88/29/600248829.db2.gz UCGNZCSTNSCPSK-UHFFFAOYSA-N -1 0 343.379 3.552 20 0 EHADRM COc1cc(C)sc1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000263184764 600250166 /nfs/dbraw/zinc/25/01/66/600250166.db2.gz WMYRWWUYUYJTFF-UHFFFAOYSA-N -1 0 349.408 3.561 20 0 EHADRM O=C([O-])CSCCC(=O)O[C@@H]1CCCC[C@H]1c1ccc(F)cc1 ZINC000739854435 600250504 /nfs/dbraw/zinc/25/05/04/600250504.db2.gz XNLRGFLSZFLJOW-LSDHHAIUSA-N -1 0 340.416 3.603 20 0 EHADRM CCO[C@@H](C)c1nc(CN(C)Cc2ccc(C(=O)[O-])cc2)cs1 ZINC000263575649 600260417 /nfs/dbraw/zinc/26/04/17/600260417.db2.gz PISFDVYZWJTTKG-LBPRGKRZSA-N -1 0 334.441 3.571 20 0 EHADRM CC(=O)N(Cc1ccc(NCc2cc(C(=O)[O-])c(C)o2)cc1)C(C)C ZINC000736131732 600260877 /nfs/dbraw/zinc/26/08/77/600260877.db2.gz WZEDSTDBURNOST-UHFFFAOYSA-N -1 0 344.411 3.655 20 0 EHADRM Cc1[nH]c(C(=O)CN2CCCCC[C@H]2c2ccco2)c(C)c1C(=O)[O-] ZINC000738153967 600262633 /nfs/dbraw/zinc/26/26/33/600262633.db2.gz PWMHYNHAYZEKJB-AWEZNQCLSA-N -1 0 344.411 3.723 20 0 EHADRM O=C([O-])[C@H]1C[C@@H]1C(=O)OCc1ccc(Oc2ccccc2F)c(F)c1 ZINC000739555680 600269895 /nfs/dbraw/zinc/26/98/95/600269895.db2.gz FIHQGVLYRKDZMD-RYUDHWBXSA-N -1 0 348.301 3.521 20 0 EHADRM O=C([O-])[C@H]1CC12CCN(C(=O)c1ccccc1Cc1ccccc1)CC2 ZINC000262482807 600271858 /nfs/dbraw/zinc/27/18/58/600271858.db2.gz UXUVDGCZQKYORM-LJQANCHMSA-N -1 0 349.430 3.604 20 0 EHADRM O=C([O-])[C@H]1CC12CCN(C(=O)c1sc3ccccc3c1Cl)CC2 ZINC000378177563 600273891 /nfs/dbraw/zinc/27/38/91/600273891.db2.gz GTBAGERCPIZKGE-LLVKDONJSA-N -1 0 349.839 3.882 20 0 EHADRM Cc1cccc(C(C)(C)NC(=O)Nc2ccc(OCC(=O)[O-])cc2)c1 ZINC000738691529 600274179 /nfs/dbraw/zinc/27/41/79/600274179.db2.gz CTSPQCKSULOJSO-UHFFFAOYSA-N -1 0 342.395 3.515 20 0 EHADRM CSCC[C@H](C)N(C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000161785231 600274653 /nfs/dbraw/zinc/27/46/53/600274653.db2.gz QCXSLVLPEZJMKU-VIFPVBQESA-N -1 0 330.837 3.644 20 0 EHADRM CC(C)(NC(=O)Nc1cccc(NC(=O)[O-])c1)c1cccc(F)c1 ZINC000736324323 600276164 /nfs/dbraw/zinc/27/61/64/600276164.db2.gz JTQVGSZYOBLQHT-UHFFFAOYSA-N -1 0 331.347 3.972 20 0 EHADRM CSCC[C@H](C)N(C)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000738186779 600277443 /nfs/dbraw/zinc/27/74/43/600277443.db2.gz APHUPAVWCNQDLM-VIFPVBQESA-N -1 0 329.397 3.521 20 0 EHADRM Cc1cc(NC(=O)N[C@@H](Cc2ccccc2)C2CC2)ccc1C(=O)[O-] ZINC000738443774 600278789 /nfs/dbraw/zinc/27/87/89/600278789.db2.gz YBMQIXGNPBVKRL-SFHVURJKSA-N -1 0 338.407 3.836 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)N[C@@H]2CC=CCC2)c1 ZINC000739754085 600279187 /nfs/dbraw/zinc/27/91/87/600279187.db2.gz KRGAQDKTSSWBGQ-CQSZACIVSA-N -1 0 334.441 3.625 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(C(=O)N(C)CCCC(=O)[O-])cc1F ZINC000237028261 600280834 /nfs/dbraw/zinc/28/08/34/600280834.db2.gz IKPSSMKRPHEDRI-UHFFFAOYSA-N -1 0 347.361 3.877 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)NC2(c3ccccc3F)CC2)c1 ZINC000739462406 600285951 /nfs/dbraw/zinc/28/59/51/600285951.db2.gz ILRTUZLABRYQPN-UHFFFAOYSA-N -1 0 348.761 3.988 20 0 EHADRM CSc1ccc(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cc1 ZINC000738200622 600287177 /nfs/dbraw/zinc/28/71/77/600287177.db2.gz YVBQNRMNSPAACT-UHFFFAOYSA-N -1 0 330.409 3.771 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)NCCOC2CCCCC2)c1 ZINC000391372993 600289410 /nfs/dbraw/zinc/28/94/10/600289410.db2.gz LILCCVNNTKTGFP-UHFFFAOYSA-N -1 0 340.807 3.509 20 0 EHADRM CCC[C@@H](C(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccccc1 ZINC000736951894 600290612 /nfs/dbraw/zinc/29/06/12/600290612.db2.gz JHWAWFYQFDNDEL-QGZVFWFLSA-N -1 0 326.396 3.977 20 0 EHADRM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736704204 600291588 /nfs/dbraw/zinc/29/15/88/600291588.db2.gz PKVFKCOVGFJUQT-NSHDSACASA-N -1 0 348.786 3.514 20 0 EHADRM CSCc1ccc(C(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000738194578 600292035 /nfs/dbraw/zinc/29/20/35/600292035.db2.gz FTNSJBDLIXOTEW-UHFFFAOYSA-N -1 0 330.409 3.570 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)CCSc2ccccc2F)cc1 ZINC000739985359 600297605 /nfs/dbraw/zinc/29/76/05/600297605.db2.gz JMONPDPZSCKLQF-UHFFFAOYSA-N -1 0 348.399 3.714 20 0 EHADRM O=C([O-])NCc1ccc(Nc2ncnc3c4ccccc4oc32)cc1 ZINC000740000093 600314472 /nfs/dbraw/zinc/31/44/72/600314472.db2.gz DIEDIMSEOGEEML-UHFFFAOYSA-N -1 0 334.335 3.887 20 0 EHADRM O=C([O-])NCc1ccc(NCc2ncc(-c3ccc(F)cc3)o2)cc1 ZINC000740000163 600315993 /nfs/dbraw/zinc/31/59/93/600315993.db2.gz GHWSGNPVJFRVRJ-UHFFFAOYSA-N -1 0 341.342 3.860 20 0 EHADRM Cc1cccc(NC(=O)[C@H](C)Nc2ccc(CNC(=O)[O-])cc2)c1C ZINC000738733395 600327521 /nfs/dbraw/zinc/32/75/21/600327521.db2.gz VTEVEGZYXZJWSI-AWEZNQCLSA-N -1 0 341.411 3.510 20 0 EHADRM CCc1nc(C)c(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)s1 ZINC000737282534 600328784 /nfs/dbraw/zinc/32/87/84/600328784.db2.gz ZUGQGFVSCZLCJJ-LBPRGKRZSA-N -1 0 339.800 3.650 20 0 EHADRM Cn1ccc2c1cccc2C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000739040339 600329165 /nfs/dbraw/zinc/32/91/65/600329165.db2.gz XWHKNFKGHZBORI-INIZCTEOSA-N -1 0 343.766 3.814 20 0 EHADRM COc1ccc([C@H](C)C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000737951462 600329454 /nfs/dbraw/zinc/32/94/54/600329454.db2.gz VPIFZJYWXXDDCK-MEDUHNTESA-N -1 0 348.782 3.821 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000739990958 600334961 /nfs/dbraw/zinc/33/49/61/600334961.db2.gz GDXOTWWEWMLSLR-UHFFFAOYSA-N -1 0 337.738 3.891 20 0 EHADRM CC1(C)CO[C@@H](c2ccccc2Cl)CN1Cc1ccoc1C(=O)[O-] ZINC000736737598 600336905 /nfs/dbraw/zinc/33/69/05/600336905.db2.gz UFYWGUVPQLNBDE-OAHLLOKOSA-N -1 0 349.814 3.983 20 0 EHADRM CCN(C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)C1CCCCC1 ZINC000737058919 600342618 /nfs/dbraw/zinc/34/26/18/600342618.db2.gz WVYQRTPCJRKTJT-UHFFFAOYSA-N -1 0 333.432 3.983 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)c1ccccc1 ZINC000736598915 600345916 /nfs/dbraw/zinc/34/59/16/600345916.db2.gz QSBREPNWWLQMAY-AWEZNQCLSA-N -1 0 341.411 3.722 20 0 EHADRM CC(C)(C)C[C@@H]1CCCN1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736251198 600348113 /nfs/dbraw/zinc/34/81/13/600348113.db2.gz MVOJNGPRBLAOTH-HNNXBMFYSA-N -1 0 333.432 3.887 20 0 EHADRM C[C@@H](SCc1noc(CCCC(=O)[O-])n1)c1ccc(F)cc1F ZINC000736714012 600351649 /nfs/dbraw/zinc/35/16/49/600351649.db2.gz WTJNOBMFJUKWDN-SECBINFHSA-N -1 0 342.367 3.750 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)N[C@@H](c2ccccc2)C2CC2)cc1 ZINC000739988270 600353013 /nfs/dbraw/zinc/35/30/13/600353013.db2.gz PKHXVTZMDNCUBN-KRWDZBQOSA-N -1 0 339.395 3.727 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(CNC(=O)[O-])cc1)C1CCCCC1 ZINC000736913744 600354442 /nfs/dbraw/zinc/35/44/42/600354442.db2.gz HCHQNIFKOUNDRD-INIZCTEOSA-N -1 0 333.432 3.935 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CCNC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736778558 600355686 /nfs/dbraw/zinc/35/56/86/600355686.db2.gz GPPAOXNIOTWSQP-UKRRQHHQSA-N -1 0 333.432 3.792 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)Nc2ccc(CNC(=O)[O-])cc2)c1C ZINC000738693386 600357208 /nfs/dbraw/zinc/35/72/08/600357208.db2.gz UZJYNHCVWJJGKO-CQSZACIVSA-N -1 0 341.411 3.954 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)N(Cc2cccs2)C2CC2)cc1 ZINC000739989117 600357536 /nfs/dbraw/zinc/35/75/36/600357536.db2.gz RCAIEXVDISBKHW-UHFFFAOYSA-N -1 0 345.424 3.712 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)N2CCC[C@@H]2c2cccs2)cc1 ZINC000739989219 600357640 /nfs/dbraw/zinc/35/76/40/600357640.db2.gz SEKSMQOEVXJHIR-CQSZACIVSA-N -1 0 345.424 3.885 20 0 EHADRM Cc1cc(NC(=O)C[C@@H]2CCc3ccccc3C2)sc1C(=O)[O-] ZINC000738424775 600370041 /nfs/dbraw/zinc/37/00/41/600370041.db2.gz JYYMHZRHBNVIGU-GFCCVEGCSA-N -1 0 329.421 3.888 20 0 EHADRM CC[C@H](CC(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccc(C)cc1 ZINC000236930462 600373631 /nfs/dbraw/zinc/37/36/31/600373631.db2.gz DJZDVWUTPLNRTR-QGZVFWFLSA-N -1 0 339.435 3.936 20 0 EHADRM CC[C@H](CC(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccc(C)cc1 ZINC000499165329 600375218 /nfs/dbraw/zinc/37/52/18/600375218.db2.gz BDBLGYLVFXHUKG-OAHLLOKOSA-N -1 0 341.407 3.981 20 0 EHADRM Cc1ccc(NC(=O)Cc2csc(-c3ccoc3)n2)c(C(=O)[O-])c1 ZINC000347339164 600375571 /nfs/dbraw/zinc/37/55/71/600375571.db2.gz NTBVOBUEEAFFFU-UHFFFAOYSA-N -1 0 342.376 3.591 20 0 EHADRM CCc1ccccc1OCC(=O)N(c1ccccc1)[C@@H](CC)C(=O)[O-] ZINC000737274007 600378746 /nfs/dbraw/zinc/37/87/46/600378746.db2.gz GHIFEIORQKJXQQ-KRWDZBQOSA-N -1 0 341.407 3.524 20 0 EHADRM CC(C)(C)c1nnc(S[C@H](C(=O)[O-])c2cccc(Cl)c2)o1 ZINC000736307188 600378894 /nfs/dbraw/zinc/37/88/94/600378894.db2.gz PVMYKSRGGRABNK-JTQLQIEISA-N -1 0 326.805 3.939 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)COc1c(C)cccc1C)c1ccccc1 ZINC000736853506 600378909 /nfs/dbraw/zinc/37/89/09/600378909.db2.gz UKXYUTPPTOHWIV-KRWDZBQOSA-N -1 0 341.407 3.579 20 0 EHADRM CC[C@](NC(=O)CC/C=C\c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000485381375 600379101 /nfs/dbraw/zinc/37/91/01/600379101.db2.gz JONKECBKEGINQF-NMIMRFFTSA-N -1 0 337.419 3.986 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2coc(-c3ccccc3)n2)cc1Cl ZINC000136716742 600379781 /nfs/dbraw/zinc/37/97/81/600379781.db2.gz OFIGTGWWNZDMJG-UHFFFAOYSA-N -1 0 342.738 3.946 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)c2cccc(C(F)F)c2)cc1 ZINC000740020696 600381909 /nfs/dbraw/zinc/38/19/09/600381909.db2.gz QQOWHUPFUPWFHQ-UHFFFAOYSA-N -1 0 334.322 3.687 20 0 EHADRM CCC[C@@](C)(NC(=O)c1ccc(OC2CCCCC2)cc1)C(=O)[O-] ZINC000736962091 600381972 /nfs/dbraw/zinc/38/19/72/600381972.db2.gz XQUZOJGLFYLPKL-LJQANCHMSA-N -1 0 333.428 3.771 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OC(=O)/C=C/c1ccnc2ccccc12 ZINC000738540573 600381995 /nfs/dbraw/zinc/38/19/95/600381995.db2.gz LABJZLJHUBKZNY-CMDGGOBGSA-N -1 0 333.343 3.860 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OC(=O)/C=C\c1ccnc2ccccc12 ZINC000738540575 600382015 /nfs/dbraw/zinc/38/20/15/600382015.db2.gz LABJZLJHUBKZNY-HJWRWDBZSA-N -1 0 333.343 3.860 20 0 EHADRM O=C([O-])c1cc(NC(=O)C[C@H]2CCOc3ccccc32)ccc1Cl ZINC000676001832 600382248 /nfs/dbraw/zinc/38/22/48/600382248.db2.gz NXSSWBUTTTWKCT-LLVKDONJSA-N -1 0 345.782 3.933 20 0 EHADRM COc1ccc(NC(=O)/C=C\c2ccnc3ccccc23)c(C(=O)[O-])c1 ZINC000738027716 600382764 /nfs/dbraw/zinc/38/27/64/600382764.db2.gz FCXMNRADUISYHL-TWGQIWQCSA-N -1 0 348.358 3.594 20 0 EHADRM Cc1cc(C)c(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)c(C)c1 ZINC000738355342 600383516 /nfs/dbraw/zinc/38/35/16/600383516.db2.gz HHGZRYROFKEZKU-UHFFFAOYSA-N -1 0 330.359 3.771 20 0 EHADRM O=C([O-])c1cc(NC(=O)NC2(c3ccc(F)cc3)CCC2)ccc1F ZINC000739470771 600383905 /nfs/dbraw/zinc/38/39/05/600383905.db2.gz GAXQIWIQMKNISD-UHFFFAOYSA-N -1 0 346.333 3.864 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)COc1cccc(Cl)c1)c1ccccc1 ZINC000736851318 600385657 /nfs/dbraw/zinc/38/56/57/600385657.db2.gz GIUAMBHOKKZAAL-MRXNPFEDSA-N -1 0 347.798 3.615 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)c2cc3occc3s2)cc1 ZINC000740020367 600386610 /nfs/dbraw/zinc/38/66/10/600386610.db2.gz PFDZIKNNFNVXDL-UHFFFAOYSA-N -1 0 330.365 3.557 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)Cc1ccc(C)c(C)c1)c1ccccc1 ZINC000736851420 600388581 /nfs/dbraw/zinc/38/85/81/600388581.db2.gz JDHPWQZWDCGQMR-SFHVURJKSA-N -1 0 325.408 3.742 20 0 EHADRM O=C([O-])CCCOc1ccc(CNC(=O)/C=C\C2CCCCC2)cc1 ZINC000739686464 600389934 /nfs/dbraw/zinc/38/99/34/600389934.db2.gz PLZDPZZBNBDTHC-RAXLEYEMSA-N -1 0 345.439 3.683 20 0 EHADRM CSc1ccc(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000738209954 600391241 /nfs/dbraw/zinc/39/12/41/600391241.db2.gz DBYWHFHCIJPAPT-UHFFFAOYSA-N -1 0 334.372 3.568 20 0 EHADRM Cc1ncccc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000738887261 600391962 /nfs/dbraw/zinc/39/19/62/600391962.db2.gz MVYPYIOUIGRKHQ-KRWDZBQOSA-N -1 0 340.423 3.633 20 0 EHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)CC[C@H]2CCCO2)cc1 ZINC000236603628 600392946 /nfs/dbraw/zinc/39/29/46/600392946.db2.gz IYWVICBBYPANSV-IAGOWNOFSA-N -1 0 347.455 3.575 20 0 EHADRM Cc1ccc([C@H](CNC(=O)C(C)(C)Cc2ccccc2)C(=O)[O-])cc1 ZINC000538470950 600394751 /nfs/dbraw/zinc/39/47/51/600394751.db2.gz XAOVNUUTOUZXQA-SFHVURJKSA-N -1 0 339.435 3.548 20 0 EHADRM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000567359141 600395851 /nfs/dbraw/zinc/39/58/51/600395851.db2.gz LKPNVHIYMKBIBX-IAGOWNOFSA-N -1 0 349.789 3.678 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NC2(c3ccc(F)cc3)CCC2)c(F)c1 ZINC000739467418 600397750 /nfs/dbraw/zinc/39/77/50/600397750.db2.gz UDTHJCSVSWEEPG-UHFFFAOYSA-N -1 0 346.333 3.864 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H](C)CC2CCCC2)cc1 ZINC000675947186 600408017 /nfs/dbraw/zinc/40/80/17/600408017.db2.gz VMMNYTUDQRUGMD-DYVFJYSZSA-N -1 0 333.428 3.544 20 0 EHADRM C[C@H](CC1CCCC1)C(=O)N(CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000431999051 600408991 /nfs/dbraw/zinc/40/89/91/600408991.db2.gz BTWIRRFBCVTBHQ-GFCCVEGCSA-N -1 0 339.382 3.594 20 0 EHADRM Cc1cc(C(=O)[O-])c2sc(NC(=O)[C@@H](C)CC3CCCC3)nc2n1 ZINC000738341467 600410469 /nfs/dbraw/zinc/41/04/69/600410469.db2.gz FBJVSALSTABCGF-VIFPVBQESA-N -1 0 347.440 3.853 20 0 EHADRM COC(=O)N(C)c1ccc(N[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000737633193 600429096 /nfs/dbraw/zinc/42/90/96/600429096.db2.gz KWMUHPLUQIEQDD-OAHLLOKOSA-N -1 0 348.786 3.780 20 0 EHADRM CC(C)(C)c1ccc(SCC(=O)Nc2cc(C(=O)[O-])ccn2)cc1 ZINC000736298832 600430863 /nfs/dbraw/zinc/43/08/63/600430863.db2.gz FMXBIYNNLBEPST-UHFFFAOYSA-N -1 0 344.436 3.808 20 0 EHADRM Cc1cc(Oc2ccc(C(=O)[O-])cc2Cl)nc(-c2ccncc2)n1 ZINC000738474985 600431491 /nfs/dbraw/zinc/43/14/91/600431491.db2.gz TZIIVLJSTWYAGL-UHFFFAOYSA-N -1 0 341.754 3.991 20 0 EHADRM C[C@@H](NC(=O)NCCCCCC(=O)[O-])c1cccc(Cl)c1Cl ZINC000414624624 600440907 /nfs/dbraw/zinc/44/09/07/600440907.db2.gz IRSSTRYFBJIZHU-SNVBAGLBSA-N -1 0 347.242 3.999 20 0 EHADRM O=C([O-])[C@H](OC(=O)/C=C/c1ccc(Cl)s1)c1ccc(F)cc1 ZINC000739213979 600446927 /nfs/dbraw/zinc/44/69/27/600446927.db2.gz BACIZOMCVMMRIV-IZPAUZPXSA-N -1 0 340.759 3.923 20 0 EHADRM O=C([O-])[C@H](OC(=O)/C=C\c1ccc(Cl)s1)c1ccc(F)cc1 ZINC000739213972 600446947 /nfs/dbraw/zinc/44/69/47/600446947.db2.gz BACIZOMCVMMRIV-IQCBXXCUSA-N -1 0 340.759 3.923 20 0 EHADRM Cc1ccc(CCC(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)c(C)c1 ZINC000738589792 600449255 /nfs/dbraw/zinc/44/92/55/600449255.db2.gz WQBDAHLRQJQDKW-SFHVURJKSA-N -1 0 330.355 3.744 20 0 EHADRM COc1cccc2cc(C(=O)O[C@@H](C(=O)[O-])c3ccc(F)cc3)oc21 ZINC000738113289 600450265 /nfs/dbraw/zinc/45/02/65/600450265.db2.gz CPBYKLZXILVEGO-MRXNPFEDSA-N -1 0 344.294 3.563 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736626893 600453918 /nfs/dbraw/zinc/45/39/18/600453918.db2.gz OZBVVVNSAQIKJK-ZBEGNZNMSA-N -1 0 334.318 3.513 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)N2CCC[C@@]3(CC=CCC3)C2)cc1 ZINC000739823881 600454774 /nfs/dbraw/zinc/45/47/74/600454774.db2.gz NOTOEWAXUXKOEO-IBGZPJMESA-N -1 0 344.411 3.504 20 0 EHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)Nc2cccnc2)cc1 ZINC000736297703 600454799 /nfs/dbraw/zinc/45/47/99/600454799.db2.gz UBEWFZBVOIDBDZ-MRXNPFEDSA-N -1 0 341.411 3.717 20 0 EHADRM Cc1ccc([C@@H](C)CNC(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000738553315 600455442 /nfs/dbraw/zinc/45/54/42/600455442.db2.gz WTLXQIWEZIVPMT-AWEZNQCLSA-N -1 0 326.396 3.927 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)/C=C/c1ccnc2ccccc12 ZINC000738963104 600457969 /nfs/dbraw/zinc/45/79/69/600457969.db2.gz GZSGNWWSCAZXBF-VOTSOKGWSA-N -1 0 337.331 3.591 20 0 EHADRM CCc1ccc([C@H]2CCCN2C(=O)Nc2ccc(CC(=O)[O-])cc2)o1 ZINC000737258285 600462969 /nfs/dbraw/zinc/46/29/69/600462969.db2.gz ANHCZKMGMQXQLJ-MRXNPFEDSA-N -1 0 342.395 3.838 20 0 EHADRM C[C@@H]1C[C@@H](CC(=O)N(C)c2nc(CC(=O)[O-])cs2)CC(C)(C)C1 ZINC000736755634 600468249 /nfs/dbraw/zinc/46/82/49/600468249.db2.gz OIFYIILYPHXPDV-NEPJUHHUSA-N -1 0 338.473 3.586 20 0 EHADRM CC[C@H](c1ccc(F)cc1)S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000736930230 600470593 /nfs/dbraw/zinc/47/05/93/600470593.db2.gz YPZWHNOTWVEPLU-MRXNPFEDSA-N -1 0 336.384 3.590 20 0 EHADRM CCCCC1CCC(C(=O)N(C)c2nc(CC(=O)[O-])cs2)CC1 ZINC000736985745 600473949 /nfs/dbraw/zinc/47/39/49/600473949.db2.gz RAXDQGQXSYZKNT-UHFFFAOYSA-N -1 0 338.473 3.730 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NCCc2ccccc2)cc1Cl ZINC000740160674 600474089 /nfs/dbraw/zinc/47/40/89/600474089.db2.gz HAEUZVXUEDCXNK-UHFFFAOYSA-N -1 0 334.828 3.567 20 0 EHADRM C[C@@H]1c2c(F)cccc2CCN1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000736836596 600475138 /nfs/dbraw/zinc/47/51/38/600475138.db2.gz JKHKZXIACFUXDO-LLVKDONJSA-N -1 0 328.343 3.675 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2ccc(SC(F)(F)F)cc2)o1 ZINC000238096420 600475274 /nfs/dbraw/zinc/47/52/74/600475274.db2.gz FUPBNFDXCCCBFV-UHFFFAOYSA-N -1 0 345.298 3.520 20 0 EHADRM CC[C@@H](c1ccncc1)N(C)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000736930701 600477134 /nfs/dbraw/zinc/47/71/34/600477134.db2.gz YGJBFHNUFJBNDY-HNNXBMFYSA-N -1 0 328.372 3.787 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2CSc3ccccc32)cc1Cl ZINC000238174109 600478025 /nfs/dbraw/zinc/47/80/25/600478025.db2.gz YVPVJJYHWFKZLX-GFCCVEGCSA-N -1 0 333.796 3.866 20 0 EHADRM O=C([O-])c1ccc(NC(=O)COc2ccc3c(c2)CCC3)cc1Cl ZINC000238169561 600478668 /nfs/dbraw/zinc/47/86/68/600478668.db2.gz PBQCNNYIISQBRT-UHFFFAOYSA-N -1 0 345.782 3.544 20 0 EHADRM O=C([O-])c1ccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000391963312 600478683 /nfs/dbraw/zinc/47/86/83/600478683.db2.gz MEHSXFNWEZESNJ-BAQGIRSFSA-N -1 0 346.726 3.598 20 0 EHADRM Cn1cc(CC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c2ccccc21 ZINC000237765390 600479126 /nfs/dbraw/zinc/47/91/26/600479126.db2.gz XYVQYGNLLZTKDB-UHFFFAOYSA-N -1 0 342.782 3.711 20 0 EHADRM COc1ccccc1CCC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000237148532 600479909 /nfs/dbraw/zinc/47/99/09/600479909.db2.gz RFSCQIQLRDRXJE-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)N3CCC[C@@H](C(=O)[O-])C3)ccc21 ZINC000263515063 600480256 /nfs/dbraw/zinc/48/02/56/600480256.db2.gz ZILHPJTVXGMKPT-OAHLLOKOSA-N -1 0 343.427 3.626 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)Nc2ccc(CCC(=O)[O-])cc2)s1 ZINC000325896086 600481756 /nfs/dbraw/zinc/48/17/56/600481756.db2.gz VCNBEXCZYRACKL-LBPRGKRZSA-N -1 0 346.452 3.826 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)/C=C\c2ccsc2)cc1 ZINC000492362234 600482499 /nfs/dbraw/zinc/48/24/99/600482499.db2.gz DARDTRACJPYNTD-BAQGIRSFSA-N -1 0 331.393 3.644 20 0 EHADRM Cc1ccccc1[C@H](CC(C)C)NC(=O)c1cccc(C(=O)[O-])n1 ZINC000738759402 600483411 /nfs/dbraw/zinc/48/34/11/600483411.db2.gz XMMNGOADINFZCM-KRWDZBQOSA-N -1 0 326.396 3.605 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(-c3cccs3)[nH]n2)cc1Cl ZINC000238187327 600485369 /nfs/dbraw/zinc/48/53/69/600485369.db2.gz LKHGHZOXNMHKEC-UHFFFAOYSA-N -1 0 347.783 3.742 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cc2cccc3cccnc32)cc1Cl ZINC000431357472 600486278 /nfs/dbraw/zinc/48/62/78/600486278.db2.gz HHVRLISTGYLVDZ-UHFFFAOYSA-N -1 0 340.766 3.768 20 0 EHADRM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)NCCCCCC(=O)[O-])C1 ZINC000414604865 600489401 /nfs/dbraw/zinc/48/94/01/600489401.db2.gz BLWNUVJFQGJTMX-HOTGVXAUSA-N -1 0 332.444 3.527 20 0 EHADRM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)NCCCCC(=O)[O-])cc1 ZINC000666562016 600492584 /nfs/dbraw/zinc/49/25/84/600492584.db2.gz NTXYXXOIBRBWPW-CRAIPNDOSA-N -1 0 332.444 3.733 20 0 EHADRM C[C@H](Nc1ccc(OCCCC(=O)[O-])cc1)c1nc(C(C)(C)C)no1 ZINC000736669930 600502938 /nfs/dbraw/zinc/50/29/38/600502938.db2.gz CAFSPSDKUNMYSX-LBPRGKRZSA-N -1 0 347.415 3.784 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1cccc(F)c1 ZINC000736322290 600505624 /nfs/dbraw/zinc/50/56/24/600505624.db2.gz VDPHJOBFGKFRLJ-UHFFFAOYSA-N -1 0 348.349 3.762 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)[C@@H](C)Cc1ccccc1F ZINC000736187752 600510348 /nfs/dbraw/zinc/51/03/48/600510348.db2.gz ZRAZCLQPEKHMTK-NSHDSACASA-N -1 0 344.338 3.511 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NC/C=C/c2ccccc2)cc1Cl ZINC000739415919 600512773 /nfs/dbraw/zinc/51/27/73/600512773.db2.gz ZBKBQGOZWXTEKC-QPJJXVBHSA-N -1 0 330.771 3.873 20 0 EHADRM Cc1csc([C@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)n1 ZINC000315726651 600514424 /nfs/dbraw/zinc/51/44/24/600514424.db2.gz WAWXDPUUAQLKAZ-QMMMGPOBSA-N -1 0 339.804 3.686 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000738480461 600520822 /nfs/dbraw/zinc/52/08/22/600520822.db2.gz CBHGKQJAANCJIU-UHFFFAOYSA-N -1 0 328.755 3.701 20 0 EHADRM O=C([O-])c1ccc(CNCc2ccccc2OCc2ccccc2)o1 ZINC000386433661 600523849 /nfs/dbraw/zinc/52/38/49/600523849.db2.gz OSSCFEFVDDNJRU-UHFFFAOYSA-N -1 0 337.375 3.847 20 0 EHADRM Cc1cccc([C@H](C)C(=O)Nc2ccc(OCC(=O)[O-])cc2C)c1 ZINC000237457020 600524527 /nfs/dbraw/zinc/52/45/27/600524527.db2.gz VNSFDLHYDCRBHS-AWEZNQCLSA-N -1 0 327.380 3.509 20 0 EHADRM C[C@@H](NC(=O)NCc1ccc(C(=O)[O-])o1)c1csc2ccccc21 ZINC000736647756 600532397 /nfs/dbraw/zinc/53/23/97/600532397.db2.gz UQXRPSRNVNOGKL-SNVBAGLBSA-N -1 0 344.392 3.753 20 0 EHADRM O=C([O-])c1c(NC(=O)C2CCSCC2)sc2c1CCCCC2 ZINC000738669495 600533942 /nfs/dbraw/zinc/53/39/42/600533942.db2.gz PDYHFFMKVXJMOE-UHFFFAOYSA-N -1 0 339.482 3.797 20 0 EHADRM CC(C)C[C@H](NC(=O)NCc1ccc(C(=O)[O-])o1)c1cccs1 ZINC000736416826 600534190 /nfs/dbraw/zinc/53/41/90/600534190.db2.gz TWMMSMFSXKQUAE-LBPRGKRZSA-N -1 0 336.413 3.626 20 0 EHADRM Cc1ncc(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)c(C(C)C)n1 ZINC000738883607 600551203 /nfs/dbraw/zinc/55/12/03/600551203.db2.gz PJRPRSRQTRRMEW-NSHDSACASA-N -1 0 328.368 3.525 20 0 EHADRM CCN(C(=O)Nc1ccc(C(=O)[O-])cc1F)[C@@H](C)c1cccc(O)c1 ZINC000737059788 600551845 /nfs/dbraw/zinc/55/18/45/600551845.db2.gz HQRKEMOZTJOJSM-NSHDSACASA-N -1 0 346.358 3.845 20 0 EHADRM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1sccc1C(=O)[O-] ZINC000736702776 600553931 /nfs/dbraw/zinc/55/39/31/600553931.db2.gz FWRXPPIMNUTTDE-SSDOTTSWSA-N -1 0 343.763 3.645 20 0 EHADRM CC(C)[C@H](C)C(=O)N(C)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000736350473 600554868 /nfs/dbraw/zinc/55/48/68/600554868.db2.gz YALVWEMYSQXCQT-TVQRCGJNSA-N -1 0 332.227 3.870 20 0 EHADRM O=C([O-])C1CCN(C(=O)Nc2ccc3c(c2)oc2ccccc23)CC1 ZINC000263479859 600556261 /nfs/dbraw/zinc/55/62/61/600556261.db2.gz KLRJQOAFZRYVIP-UHFFFAOYSA-N -1 0 338.363 3.915 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1ccc(OCC2CCCCC2)cc1 ZINC000236765844 600556885 /nfs/dbraw/zinc/55/68/85/600556885.db2.gz PVVSTRCBFQFPJC-UHFFFAOYSA-N -1 0 347.455 3.971 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)CCc1ccc(Cl)cc1Cl ZINC000037585475 600558046 /nfs/dbraw/zinc/55/80/46/600558046.db2.gz BZYXCKGPRXHKCA-UHFFFAOYSA-N -1 0 332.227 3.638 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)COc1ccc(Cl)c2ccccc12 ZINC000346022960 600561413 /nfs/dbraw/zinc/56/14/13/600561413.db2.gz FQYYAWPCHBTNDO-UHFFFAOYSA-N -1 0 349.814 3.584 20 0 EHADRM CN(C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)C1CCCCCCC1 ZINC000737331667 600567511 /nfs/dbraw/zinc/56/75/11/600567511.db2.gz ZRQTZNOMHOSQNH-UHFFFAOYSA-N -1 0 344.415 3.838 20 0 EHADRM CC(C)[C@@H](CC1CCCCC1)C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000736354710 600571300 /nfs/dbraw/zinc/57/13/00/600571300.db2.gz ZRIBMWGABSFPNE-CQSZACIVSA-N -1 0 338.473 3.951 20 0 EHADRM CCS[C@H](C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1)C(C)C ZINC000737228490 600571581 /nfs/dbraw/zinc/57/15/81/600571581.db2.gz AIOGWBUPRAUHOT-STQMWFEESA-N -1 0 330.833 3.787 20 0 EHADRM Cc1ccccc1-c1nc(C(=O)O[C@H](CC(C)C)C(=O)[O-])cs1 ZINC000738756820 600574103 /nfs/dbraw/zinc/57/41/03/600574103.db2.gz UPZXDWWCQVZBAI-CQSZACIVSA-N -1 0 333.409 3.775 20 0 EHADRM CC(C)Oc1ccc(NC(=O)c2ccccc2NC(=O)[O-])c(F)c1 ZINC000736494055 600575527 /nfs/dbraw/zinc/57/55/27/600575527.db2.gz HHQYYFWQOTYGDB-UHFFFAOYSA-N -1 0 332.331 3.955 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)N1CC2(CCC2)c2c1cccc2F ZINC000740039987 600576797 /nfs/dbraw/zinc/57/67/97/600576797.db2.gz BWWBCNNHTZCCSO-UHFFFAOYSA-N -1 0 340.354 3.998 20 0 EHADRM CSCCc1ccc(NC(=O)c2ccccc2NC(=O)[O-])cc1 ZINC000738194581 600577449 /nfs/dbraw/zinc/57/74/49/600577449.db2.gz GAYMFANAQODFJJ-UHFFFAOYSA-N -1 0 330.409 3.934 20 0 EHADRM Cc1ccc(C(C)(C)CNC(=O)c2ccccc2NC(=O)[O-])cc1 ZINC000738551673 600578380 /nfs/dbraw/zinc/57/83/80/600578380.db2.gz OANJYHWCJYUUMD-UHFFFAOYSA-N -1 0 326.396 3.793 20 0 EHADRM O=C([O-])c1cc(F)ccc1CSc1ncccc1Br ZINC000083733163 600581681 /nfs/dbraw/zinc/58/16/81/600581681.db2.gz AJDPFLKPEWVXGH-UHFFFAOYSA-N -1 0 342.189 3.974 20 0 EHADRM C[C@H](CC(=O)[O-])SCC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000736551349 600582789 /nfs/dbraw/zinc/58/27/89/600582789.db2.gz JWEXTEWESFZXMU-NEPJUHHUSA-N -1 0 335.425 3.549 20 0 EHADRM C[C@H](CC(=O)[O-])SCC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000736554290 600583125 /nfs/dbraw/zinc/58/31/25/600583125.db2.gz XLOBRNLBWZWEJM-YGRLFVJLSA-N -1 0 329.487 3.548 20 0 EHADRM Cc1c(Cl)cccc1OCC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000738290887 600585302 /nfs/dbraw/zinc/58/53/02/600585302.db2.gz LVCHQZHJJNIKOZ-UHFFFAOYSA-N -1 0 334.759 3.756 20 0 EHADRM Cc1cc(C)c(NC(=O)[C@@H](C)S[C@@H](C)CC(=O)[O-])c(Cl)c1 ZINC000738227396 600585702 /nfs/dbraw/zinc/58/57/02/600585702.db2.gz YTXSZCZJJSQHTM-WDEREUQCSA-N -1 0 329.849 3.880 20 0 EHADRM C[C@@H](CC(=O)[O-])SCC(=O)N(Cc1ccco1)C1=CCCCC1 ZINC000736554043 600589660 /nfs/dbraw/zinc/58/96/60/600589660.db2.gz WBRBYTUTOHZYAP-ZDUSSCGKSA-N -1 0 337.441 3.663 20 0 EHADRM CN(C(=O)c1cc2sccc2s1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737336001 600591505 /nfs/dbraw/zinc/59/15/05/600591505.db2.gz GNCOCCFVZJULMS-CQSZACIVSA-N -1 0 331.418 3.861 20 0 EHADRM CN(C(=O)c1ccc(Cl)c(Cl)c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737336556 600591517 /nfs/dbraw/zinc/59/15/17/600591517.db2.gz MZZAWOZKWMQAPG-CQSZACIVSA-N -1 0 338.190 3.891 20 0 EHADRM CC[C@H](NC(=O)CS[C@H](C)CC(=O)[O-])c1ccc(Cl)cc1 ZINC000736909937 600592233 /nfs/dbraw/zinc/59/22/33/600592233.db2.gz AZENDEJYKFXFIT-MFKMUULPSA-N -1 0 329.849 3.504 20 0 EHADRM CN(C(=O)/C=C/c1ccc(Cl)s1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737314297 600593410 /nfs/dbraw/zinc/59/34/10/600593410.db2.gz QIOLUNAWOKQFRQ-TUPIDYKKSA-N -1 0 335.812 3.699 20 0 EHADRM C[C@H](CC(=O)[O-])S[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000736552962 600594357 /nfs/dbraw/zinc/59/43/57/600594357.db2.gz QAWZIDLCUFQUBS-SFYZADRCSA-N -1 0 336.240 3.917 20 0 EHADRM C[C@@H](SC[C@@H](C)C(=O)[O-])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000736621164 600596224 /nfs/dbraw/zinc/59/62/24/600596224.db2.gz ZHYUJCNESHPYNI-HTQZYQBOSA-N -1 0 336.240 3.774 20 0 EHADRM C[C@@H](SC[C@@H](C)C(=O)[O-])C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000736614504 600597347 /nfs/dbraw/zinc/59/73/47/600597347.db2.gz DGIWOGDQWIHXCR-HZSPNIEDSA-N -1 0 345.464 3.859 20 0 EHADRM Cc1ccc(C)c(SCC(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000738576839 600597760 /nfs/dbraw/zinc/59/77/60/600597760.db2.gz DFJGEIKQOCFDRU-GOSISDBHSA-N -1 0 343.448 3.680 20 0 EHADRM CN(C(=O)Cc1cccc2ccccc21)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737326180 600599510 /nfs/dbraw/zinc/59/95/10/600599510.db2.gz UMGGBJSOIIUPNW-HXUWFJFHSA-N -1 0 333.387 3.667 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N2CCc3c(Cl)cccc3C2)c1 ZINC000740229002 600600505 /nfs/dbraw/zinc/60/05/05/600600505.db2.gz VTFLJWDAAKRWHI-UHFFFAOYSA-N -1 0 330.771 3.628 20 0 EHADRM CN(C(=O)/C=C/c1ccccc1Cl)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737313208 600600814 /nfs/dbraw/zinc/60/08/14/600600814.db2.gz IQFOVFGXUKQJEL-FMQWLBJXSA-N -1 0 329.783 3.638 20 0 EHADRM CC(C)(C)CC(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000236588439 600602519 /nfs/dbraw/zinc/60/25/19/600602519.db2.gz UTVBQXPGSHPKLD-QGZVFWFLSA-N -1 0 327.424 3.636 20 0 EHADRM CCC/C(C)=C/C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000736958398 600602860 /nfs/dbraw/zinc/60/28/60/600602860.db2.gz BDJMMFHIOHBITI-FERCGXDMSA-N -1 0 339.435 3.946 20 0 EHADRM CC(C)Cc1ccc([C@H](C)NC(=O)CSC[C@H](C)C(=O)[O-])cc1 ZINC000736454817 600602893 /nfs/dbraw/zinc/60/28/93/600602893.db2.gz XCSFGTJKUZJAIY-KBPBESRZSA-N -1 0 337.485 3.516 20 0 EHADRM CN(C(=O)c1cc2c(s1)CCCC2)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737332776 600602927 /nfs/dbraw/zinc/60/29/27/600602927.db2.gz CAVPIDPXCAPWJF-MRXNPFEDSA-N -1 0 329.421 3.525 20 0 EHADRM O=C([O-])CN(C(=O)c1cccc(Oc2ccncc2)c1)c1ccccc1 ZINC000156303184 600604209 /nfs/dbraw/zinc/60/42/09/600604209.db2.gz SEPAKTSQTQJUQE-UHFFFAOYSA-N -1 0 348.358 3.605 20 0 EHADRM O=C([O-])CN(C(=O)c1cc(F)c(Cl)cc1Cl)c1ccccc1 ZINC000336850590 600605097 /nfs/dbraw/zinc/60/50/97/600605097.db2.gz WMFFNYQYRZQIRZ-UHFFFAOYSA-N -1 0 342.153 3.864 20 0 EHADRM C[C@H](CSCC(=O)N(Cc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000736621161 600605846 /nfs/dbraw/zinc/60/58/46/600605846.db2.gz ZGHRCALHSXMAEG-OAHLLOKOSA-N -1 0 343.448 3.674 20 0 EHADRM C/C=C/C=C\C(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)[O-] ZINC000736840966 600607608 /nfs/dbraw/zinc/60/76/08/600607608.db2.gz WIAUBBNQUYIHAK-IAROGAJJSA-N -1 0 342.222 3.581 20 0 EHADRM CC/C=C(/C)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)[O-] ZINC000736950154 600607652 /nfs/dbraw/zinc/60/76/52/600607652.db2.gz NRFMYLPZYWZPJK-WCIBSUBMSA-N -1 0 344.238 3.805 20 0 EHADRM CC[C@@](NC(=O)C[C@@H]1CCc2ccccc21)(C(=O)[O-])c1ccccc1 ZINC000675982002 600609067 /nfs/dbraw/zinc/60/90/67/600609067.db2.gz HXMGSBPGANIHDX-KKSFZXQISA-N -1 0 337.419 3.613 20 0 EHADRM CC(C)CC[C@H](NC(=O)c1cccc(OCC(=O)[O-])c1)C(C)(C)C ZINC000736426657 600610189 /nfs/dbraw/zinc/61/01/89/600610189.db2.gz MHDSZTZHVFFQJI-INIZCTEOSA-N -1 0 335.444 3.731 20 0 EHADRM Cc1ccc(C(=O)NC(C)(C)CCC(=O)[O-])cc1Oc1ccncc1 ZINC000738514946 600618259 /nfs/dbraw/zinc/61/82/59/600618259.db2.gz JYYUSGYAQNSGPE-UHFFFAOYSA-N -1 0 342.395 3.556 20 0 EHADRM Cc1ccc(C)c(OCC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000322603873 600619491 /nfs/dbraw/zinc/61/94/91/600619491.db2.gz MSRNMJVGXUMYLC-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000388188858 600622266 /nfs/dbraw/zinc/62/22/66/600622266.db2.gz OVFBYGWTWFDSOU-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM O=C([O-])CCC(=O)Nc1ccc(Oc2ccnc3ccccc32)cc1 ZINC000179079482 600623968 /nfs/dbraw/zinc/62/39/68/600623968.db2.gz RBSSPFLEDWMBBD-UHFFFAOYSA-N -1 0 336.347 3.830 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)[C@@H]2CCOc3ccccc32)c1 ZINC000178254871 600624334 /nfs/dbraw/zinc/62/43/34/600624334.db2.gz DOXJMUDOZJXDGK-CQSZACIVSA-N -1 0 331.755 3.543 20 0 EHADRM CC[C@H](C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1c(C)noc1C ZINC000736850138 600624866 /nfs/dbraw/zinc/62/48/66/600624866.db2.gz SXMCALHZGSWUNE-ZDUSSCGKSA-N -1 0 336.775 3.775 20 0 EHADRM Cc1cc(OCc2nc(-c3ccc(C)cc3)no2)c(C(=O)[O-])s1 ZINC000320600033 600638998 /nfs/dbraw/zinc/63/89/98/600638998.db2.gz SGWBIPLDHKCPIA-UHFFFAOYSA-N -1 0 330.365 3.692 20 0 EHADRM CCN(C(=O)Nc1cc(C(=O)[O-])ccc1C)[C@H](C)c1cccnc1 ZINC000737059849 600641504 /nfs/dbraw/zinc/64/15/04/600641504.db2.gz ITXZBTIMSVGWGY-CYBMUJFWSA-N -1 0 327.384 3.703 20 0 EHADRM CC(C)CC[C@H](NC(=O)Nc1nc(CC(=O)[O-])cs1)C(C)(C)C ZINC000736426201 600641588 /nfs/dbraw/zinc/64/15/88/600641588.db2.gz IXWMDHBYOYRRCP-LBPRGKRZSA-N -1 0 341.477 3.743 20 0 EHADRM Cc1ccc(-c2ncc(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)s2)c(C)c1 ZINC000675984726 600642504 /nfs/dbraw/zinc/64/25/04/600642504.db2.gz RBHOMSGGPMXTGD-CQSZACIVSA-N -1 0 346.452 3.656 20 0 EHADRM Cc1ccc(C(C)C)cc1OS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000738553802 600645674 /nfs/dbraw/zinc/64/56/74/600645674.db2.gz ZUCLKSNSOYUBNT-UHFFFAOYSA-N -1 0 348.420 3.513 20 0 EHADRM CCN(C(=O)[C@H](C)Cc1cccc(F)c1)c1ccccc1C(=O)[O-] ZINC000737049876 600646674 /nfs/dbraw/zinc/64/66/74/600646674.db2.gz JKKPNICWDJHVSD-CYBMUJFWSA-N -1 0 329.371 3.756 20 0 EHADRM CCN(C(=O)c1ccc(-n2nccc2C)cc1)c1ccccc1C(=O)[O-] ZINC000737058085 600646986 /nfs/dbraw/zinc/64/69/86/600646986.db2.gz LGVHNSKWIWIMKV-UHFFFAOYSA-N -1 0 349.390 3.546 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H]2Cc2ccccc2Cl)C1 ZINC000245758647 600660865 /nfs/dbraw/zinc/66/08/65/600660865.db2.gz VFCLSZDUUHYPAU-OAGGEKHMSA-N -1 0 349.858 3.765 20 0 EHADRM CC1(C)CC[C@H](NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c2ccccc21 ZINC000353953822 600662603 /nfs/dbraw/zinc/66/26/03/600662603.db2.gz ZQEHUTRQVNLMNR-KEYYUXOJSA-N -1 0 329.440 3.806 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2F)C1 ZINC000108657302 600665403 /nfs/dbraw/zinc/66/54/03/600665403.db2.gz FASYPPDPULIXOA-BDAKNGLRSA-N -1 0 333.281 3.674 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NC2(c3ccc(F)cc3)CCCC2)C1 ZINC000179982428 600665418 /nfs/dbraw/zinc/66/54/18/600665418.db2.gz WFOSQUGWNRSMQI-UONOGXRCSA-N -1 0 333.403 3.602 20 0 EHADRM C/C(=C\C(=O)O[C@@H](C(=O)[O-])c1ccccc1F)c1cccc(F)c1 ZINC000825723815 600666553 /nfs/dbraw/zinc/66/65/53/600666553.db2.gz BCNWAEZXABAJJM-QXLXQBSBSA-N -1 0 332.302 3.737 20 0 EHADRM Cc1ccc(Oc2ccc(NCc3cccc(C(=O)[O-])c3)cc2)nn1 ZINC000738650478 600679452 /nfs/dbraw/zinc/67/94/52/600679452.db2.gz YRDUWUHNAYEDSY-UHFFFAOYSA-N -1 0 335.363 3.888 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cc2cc(F)ccc2o1)c1ccccc1F ZINC000833351879 600679600 /nfs/dbraw/zinc/67/96/00/600679600.db2.gz PMMJTVAUMBZHLS-HNNXBMFYSA-N -1 0 332.258 3.694 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC[C@@H](O)c1cc(C)cc(C)c1 ZINC000831976632 600682588 /nfs/dbraw/zinc/68/25/88/600682588.db2.gz NJECKFDAQUZELZ-XTKXOIQPSA-N -1 0 342.391 3.522 20 0 EHADRM C[C@@]1(c2nc(-c3ccc(C(=O)[O-])cc3)no2)CCc2ccccc2C1 ZINC000828128678 600692445 /nfs/dbraw/zinc/69/24/45/600692445.db2.gz VCNPDIUBPRBRAP-HXUWFJFHSA-N -1 0 334.375 3.881 20 0 EHADRM O=C([O-])c1ccc(-c2noc([C@@H]3C[C@@]34CCOc3ccccc34)n2)cc1 ZINC000833308409 600693182 /nfs/dbraw/zinc/69/31/82/600693182.db2.gz PBKZYPRLXOVJMT-MGPUTAFESA-N -1 0 348.358 3.643 20 0 EHADRM O=C([O-])c1ccc(-c2noc([C@@H]3C[C@@]34CCc3ccccc34)n2)cc1 ZINC000833309075 600693442 /nfs/dbraw/zinc/69/34/42/600693442.db2.gz XUPKBUZAUKKHBB-OXJNMPFZSA-N -1 0 332.359 3.806 20 0 EHADRM O=C([O-])c1cccc(-c2noc(Cc3ccc(-n4cccc4)cc3)n2)c1 ZINC000833327519 600695888 /nfs/dbraw/zinc/69/58/88/600695888.db2.gz AUVLLBDBXQGSMA-UHFFFAOYSA-N -1 0 345.358 3.816 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2c[nH]cc2-c2ccc(F)cc2)cc1 ZINC000833316087 600698451 /nfs/dbraw/zinc/69/84/51/600698451.db2.gz PJDFEMLBXPLZPP-UHFFFAOYSA-N -1 0 339.322 3.876 20 0 EHADRM O=C([O-])c1cccc(-c2noc([C@H]3C[C@H]3c3cccc(F)c3F)n2)c1 ZINC000833328152 600698475 /nfs/dbraw/zinc/69/84/75/600698475.db2.gz YHQMJKQEFFRLQE-STQMWFEESA-N -1 0 342.301 3.984 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)c1ncoc1-c1ccc(C)cc1 ZINC000832909932 600705470 /nfs/dbraw/zinc/70/54/70/600705470.db2.gz LPQGAIDADPFKTM-UHFFFAOYSA-N -1 0 341.319 3.607 20 0 EHADRM C[C@H]1CCN(c2cc(C(=O)[O-])nc3ccc(Br)cc32)C1 ZINC000736799397 600707355 /nfs/dbraw/zinc/70/73/55/600707355.db2.gz PZTNVDSLSGUHOT-VIFPVBQESA-N -1 0 335.201 3.542 20 0 EHADRM C[C@H](OC(=O)c1ccc(-c2ccccc2)n1C)c1ccc(C(=O)[O-])o1 ZINC000827851719 600708374 /nfs/dbraw/zinc/70/83/74/600708374.db2.gz CPILFNODPFOAEG-LBPRGKRZSA-N -1 0 339.347 3.901 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@H]1SCCc2ccccc21)c1ccc(F)cc1 ZINC000833170792 600712890 /nfs/dbraw/zinc/71/28/90/600712890.db2.gz SDUQCNQIAIYAMX-CVEARBPZSA-N -1 0 346.379 3.525 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)[C@H]1SCCc2ccccc21 ZINC000833299236 600712920 /nfs/dbraw/zinc/71/29/20/600712920.db2.gz PFBDXJXZHVPSDK-INIZCTEOSA-N -1 0 346.379 3.598 20 0 EHADRM C/C(=C\C(=O)O[C@H](C(=O)[O-])C(C)C)c1cccc(C(F)(F)F)c1 ZINC000825724239 600713476 /nfs/dbraw/zinc/71/34/76/600713476.db2.gz KQIOSIQFBFUJEH-RNVIBTMRSA-N -1 0 330.302 3.761 20 0 EHADRM C[C@@H](OC(=O)c1ccc(NC(=O)[O-])c(O)c1)c1ccc(F)cc1F ZINC000827860718 600728539 /nfs/dbraw/zinc/72/85/39/600728539.db2.gz GKCGUEVEOJWHKG-MRVPVSSYSA-N -1 0 337.278 3.678 20 0 EHADRM C[C@H](OC(=O)c1ccc(NC(=O)[O-])c(O)c1)c1cc(F)ccc1F ZINC000827862155 600732195 /nfs/dbraw/zinc/73/21/95/600732195.db2.gz WAZOSWHPEQWHOF-QMMMGPOBSA-N -1 0 337.278 3.678 20 0 EHADRM O=C([O-])[C@@H](Nc1cccc(CO)c1)c1ccc(Cl)cc1Cl ZINC000833171450 600732810 /nfs/dbraw/zinc/73/28/10/600732810.db2.gz YJBKDURZGOXTKQ-AWEZNQCLSA-N -1 0 326.179 3.724 20 0 EHADRM C[C@@H](CCOc1ccccc1)C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC000827421941 600741875 /nfs/dbraw/zinc/74/18/75/600741875.db2.gz FTCWSWIRTVHGLK-AWEZNQCLSA-N -1 0 328.364 3.533 20 0 EHADRM O=C([O-])[C@@H](NCc1sccc1Br)c1ccccc1F ZINC000426789335 600745068 /nfs/dbraw/zinc/74/50/68/600745068.db2.gz SYJLJLZDQZEJKB-LBPRGKRZSA-N -1 0 344.205 3.565 20 0 EHADRM Cc1ncc(Cl)c(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])n1 ZINC000738885398 600758153 /nfs/dbraw/zinc/75/81/53/600758153.db2.gz NWMWWHLICZOJMO-UHFFFAOYSA-N -1 0 333.775 3.512 20 0 EHADRM Cc1cc(NC(=O)c2cccc3ccc(C)nc32)sc1C(=O)[O-] ZINC000738299077 600767156 /nfs/dbraw/zinc/76/71/56/600767156.db2.gz ZXXPLVXDLGCWPC-UHFFFAOYSA-N -1 0 326.377 3.864 20 0 EHADRM Cc1ccc(C)c(CC(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000776673619 600798972 /nfs/dbraw/zinc/79/89/72/600798972.db2.gz ODIWFFHNGVVXCQ-QGZVFWFLSA-N -1 0 345.826 3.832 20 0 EHADRM CCOc1ccccc1OCCOc1cc(Cl)ccc1C(=O)[O-] ZINC000322120494 600801220 /nfs/dbraw/zinc/80/12/20/600801220.db2.gz CFFOCRYIVHDBHH-UHFFFAOYSA-N -1 0 336.771 3.895 20 0 EHADRM CCC(C)(C)CC(=O)Oc1ccc(Br)cc1C(=O)[O-] ZINC000828608585 600801377 /nfs/dbraw/zinc/80/13/77/600801377.db2.gz DHUOOGCRUGJMFB-UHFFFAOYSA-N -1 0 329.190 3.879 20 0 EHADRM Cc1ccc2c(CCC(=O)Oc3ccccc3CC(=O)[O-])c[nH]c2c1 ZINC000832960261 600801881 /nfs/dbraw/zinc/80/18/81/600801881.db2.gz OLVDHIFJRFVNKH-UHFFFAOYSA-N -1 0 337.375 3.642 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)ccc1F ZINC000776678777 600802910 /nfs/dbraw/zinc/80/29/10/600802910.db2.gz SEUFMKGEXNVWPS-HNNXBMFYSA-N -1 0 335.762 3.733 20 0 EHADRM Cc1ccc(S[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)cc1 ZINC000832957163 600804570 /nfs/dbraw/zinc/80/45/70/600804570.db2.gz BBZWWGKWILPMSW-CYBMUJFWSA-N -1 0 333.434 3.652 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(F)cc1F)c1cccc(Cl)c1 ZINC000833199949 600805064 /nfs/dbraw/zinc/80/50/64/600805064.db2.gz FLQIIMPJUXEKRJ-CQSZACIVSA-N -1 0 339.725 3.564 20 0 EHADRM NC(=NOCc1c(Cl)cccc1Cl)c1cccc(C(=O)[O-])c1 ZINC000833079496 600808158 /nfs/dbraw/zinc/80/81/58/600808158.db2.gz ZNPCQKHIVXVBSY-UHFFFAOYSA-N -1 0 339.178 3.738 20 0 EHADRM Cc1ccc([C@@H](C)C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)o1 ZINC000832923332 600808528 /nfs/dbraw/zinc/80/85/28/600808528.db2.gz HJPWNLWXSCRVMH-BXUZGUMPSA-N -1 0 335.787 3.677 20 0 EHADRM Cc1ccc(NC(=O)NCc2ccc(OCCCC(=O)[O-])cc2)s1 ZINC000832947499 600810284 /nfs/dbraw/zinc/81/02/84/600810284.db2.gz XOYKMVGAUXRXSF-UHFFFAOYSA-N -1 0 348.424 3.622 20 0 EHADRM Cc1ccc(N2CC[C@H](SCc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000738618358 600817859 /nfs/dbraw/zinc/81/78/59/600817859.db2.gz ZWZFOQZQIAEJOJ-KRWDZBQOSA-N -1 0 341.432 3.732 20 0 EHADRM CC(C)C[C@H](NC(=S)NCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000736424937 600820021 /nfs/dbraw/zinc/82/00/21/600820021.db2.gz IYGZVZXAHSYRFD-AWEZNQCLSA-N -1 0 342.892 3.756 20 0 EHADRM Cc1ccc(NC(=S)N2C[C@@H](CC(=O)[O-])c3ccccc32)cc1F ZINC000738628461 600820327 /nfs/dbraw/zinc/82/03/27/600820327.db2.gz SNPUNTDXDYNXMP-GFCCVEGCSA-N -1 0 344.411 3.909 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=S)NC(C2CC2)C2CC2)cc1 ZINC000736233265 600821061 /nfs/dbraw/zinc/82/10/61/600821061.db2.gz USRKWCXNWITAGH-UHFFFAOYSA-N -1 0 332.469 3.524 20 0 EHADRM CCCC[C@@H](SCc1nc(=O)c2c(C)c(C)sc2[nH]1)C(=O)[O-] ZINC000829295626 600832192 /nfs/dbraw/zinc/83/21/92/600832192.db2.gz IPOPWAPGKCGFAK-SNVBAGLBSA-N -1 0 340.470 3.890 20 0 EHADRM Cc1ccccc1-n1cnnc1S[C@@H](C(=O)[O-])c1ccccc1F ZINC000832976249 600832690 /nfs/dbraw/zinc/83/26/90/600832690.db2.gz KTNKFYYTWBMIFN-OAHLLOKOSA-N -1 0 343.383 3.633 20 0 EHADRM Cc1cccc2c(CCC(=O)Nc3ccc(F)cc3C(=O)[O-])c[nH]c21 ZINC000738747198 600832863 /nfs/dbraw/zinc/83/28/63/600832863.db2.gz DFWLKCSPWQMVKH-UHFFFAOYSA-N -1 0 340.354 3.885 20 0 EHADRM O=C([O-])[C@H](Sc1nnc(-c2ccccc2F)o1)c1ccccc1F ZINC000833168874 600834063 /nfs/dbraw/zinc/83/40/63/600834063.db2.gz FRHVSCVIFFQUPM-CYBMUJFWSA-N -1 0 348.330 3.933 20 0 EHADRM CC[C@@](C)(NC(=O)C[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000262384566 600836479 /nfs/dbraw/zinc/83/64/79/600836479.db2.gz DIHQUCLXWGWOJZ-MEBBXXQBSA-N -1 0 331.334 3.569 20 0 EHADRM CCO[C@H](C)c1nc(CN(C)Cc2cccc(C(=O)[O-])c2)cs1 ZINC000263488458 600838487 /nfs/dbraw/zinc/83/84/87/600838487.db2.gz QFBVTEYPKYRDBY-GFCCVEGCSA-N -1 0 334.441 3.571 20 0 EHADRM CC[C@H]1C[C@H](C)CN1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000829074788 600842815 /nfs/dbraw/zinc/84/28/15/600842815.db2.gz JEKAUWIQFXGIOA-ONGXEEELSA-N -1 0 342.342 3.639 20 0 EHADRM CC(C)(C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21)c1ccccc1F ZINC000736224498 600846419 /nfs/dbraw/zinc/84/64/19/600846419.db2.gz QVVRALLOHVYMKF-CYBMUJFWSA-N -1 0 341.382 3.708 20 0 EHADRM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000262166881 600846572 /nfs/dbraw/zinc/84/65/72/600846572.db2.gz UJAQGIFOGMBFNN-ZWKOTPCHSA-N -1 0 339.391 3.800 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)N2CCC(CC(=O)[O-])CC2)cc1 ZINC000826861051 600846653 /nfs/dbraw/zinc/84/66/53/600846653.db2.gz NKBFJRACYZRVJF-UHFFFAOYSA-N -1 0 348.443 3.830 20 0 EHADRM C[C@@H](CC(=O)N1C[C@H](CC(=O)[O-])c2ccccc21)c1cccc(F)c1 ZINC000736545956 600847851 /nfs/dbraw/zinc/84/78/51/600847851.db2.gz UCVYDQFCZBFJRY-ZFWWWQNUSA-N -1 0 341.382 3.924 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2cccc(-c3cscn3)c2)cc1 ZINC000833266456 600853911 /nfs/dbraw/zinc/85/39/11/600853911.db2.gz PMLMFVOPHGJWBF-UHFFFAOYSA-N -1 0 338.388 3.690 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2c[nH]nc2-c2ccccc2)ccc1Cl ZINC000325077153 600856421 /nfs/dbraw/zinc/85/64/21/600856421.db2.gz ZAKFWJJVBAVHQO-UHFFFAOYSA-N -1 0 341.754 3.681 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)/C=C(/C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000828710458 600857238 /nfs/dbraw/zinc/85/72/38/600857238.db2.gz YDNBBPVBQNAACL-KGNMDHSFSA-N -1 0 343.345 3.724 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)CCc2ccccc2Cl)c2ccccc21 ZINC000325369512 600862839 /nfs/dbraw/zinc/86/28/39/600862839.db2.gz RYHOIWOHIHJDDW-CQSZACIVSA-N -1 0 343.810 3.878 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)Cc2ccc3ccccc3c2)c2ccccc21 ZINC000739647984 600863608 /nfs/dbraw/zinc/86/36/08/600863608.db2.gz YGSKPEVUGISCLU-GOSISDBHSA-N -1 0 345.398 3.987 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)c2ccc3ccccc3c2O)c2ccccc21 ZINC000739646278 600863723 /nfs/dbraw/zinc/86/37/23/600863723.db2.gz IZMBWWOFGUBPAW-CQSZACIVSA-N -1 0 347.370 3.764 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N[C@@H](C)C1CCCCC1)C(=O)[O-] ZINC000237634768 600865288 /nfs/dbraw/zinc/86/52/88/600865288.db2.gz LCIPGRDSZHJQNH-QWHCGFSZSA-N -1 0 335.469 3.950 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000621556565 600879755 /nfs/dbraw/zinc/87/97/55/600879755.db2.gz NVCUYBKLCCSRKU-CYBMUJFWSA-N -1 0 341.382 3.635 20 0 EHADRM Cc1ccc(OCC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c(C)c1 ZINC000262294816 600881661 /nfs/dbraw/zinc/88/16/61/600881661.db2.gz WLSTVKZVHCEWGL-UHFFFAOYSA-N -1 0 341.407 3.683 20 0 EHADRM CCC(CC)[S@@](=O)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000828863055 600881908 /nfs/dbraw/zinc/88/19/08/600881908.db2.gz UMLPHEXQEACOMT-QFIPXVFZSA-N -1 0 337.466 3.946 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccc(OC3CCCC3)cc2)C1 ZINC000179958316 600882773 /nfs/dbraw/zinc/88/27/73/600882773.db2.gz XLAHCYOKTNBJLE-KBPBESRZSA-N -1 0 331.412 3.838 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000192948857 600883473 /nfs/dbraw/zinc/88/34/73/600883473.db2.gz PURKYJYXILVCGS-CZUORRHYSA-N -1 0 341.382 3.609 20 0 EHADRM CCO[C@H]1C[C@H](N(C)C(=O)c2cccc(C(=O)[O-])c2)C12CCCCC2 ZINC000236980946 600884680 /nfs/dbraw/zinc/88/46/80/600884680.db2.gz CRLJFPAXJVRLHA-IRXDYDNUSA-N -1 0 345.439 3.585 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)C2CCC(c3ccccc3)CC2)o1 ZINC000238106702 600885692 /nfs/dbraw/zinc/88/56/92/600885692.db2.gz YCLAMQJFCAERPL-UHFFFAOYSA-N -1 0 327.380 3.568 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCC(=Cc3cccc(F)c3)CC2)C1 ZINC000262538640 600895208 /nfs/dbraw/zinc/89/52/08/600895208.db2.gz KOTUIUCHROHOHF-IAGOWNOFSA-N -1 0 345.414 3.723 20 0 EHADRM O=C([O-])c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)s1 ZINC000035426057 600898378 /nfs/dbraw/zinc/89/83/78/600898378.db2.gz NAZVEEQOBXGTKB-UHFFFAOYSA-N -1 0 346.191 3.771 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000263269775 600903035 /nfs/dbraw/zinc/90/30/35/600903035.db2.gz LVNVYDVKNCGHMD-GWCFXTLKSA-N -1 0 333.384 3.809 20 0 EHADRM CC(C)C[C@H](CNC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000486281323 600918386 /nfs/dbraw/zinc/91/83/86/600918386.db2.gz GZNKZNRGSAGAME-LJQANCHMSA-N -1 0 339.435 3.759 20 0 EHADRM Cc1ccccc1-c1nc(C(=O)NC[C@H](CC(C)C)C(=O)[O-])cs1 ZINC000486338068 600919685 /nfs/dbraw/zinc/91/96/85/600919685.db2.gz VMUSDJSAYOQVIO-ZDUSSCGKSA-N -1 0 346.452 3.595 20 0 EHADRM CC(C)C[C@@H](CNC(=O)CCSc1ccccc1Cl)C(=O)[O-] ZINC000388599929 600922702 /nfs/dbraw/zinc/92/27/02/600922702.db2.gz JVOROPIZTUEQKX-LBPRGKRZSA-N -1 0 343.876 3.685 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2cc(F)ccc2N2CCCCC2)C1 ZINC000833185977 600924292 /nfs/dbraw/zinc/92/42/92/600924292.db2.gz JJSOTLUNNSHFJT-KGLIPLIRSA-N -1 0 348.418 3.646 20 0 EHADRM CCC(CC)(NC(=O)c1cc2c3ccccc3n(C)c2s1)C(=O)[O-] ZINC000828838676 600929189 /nfs/dbraw/zinc/92/91/89/600929189.db2.gz YXXVFFBGIXKYEX-UHFFFAOYSA-N -1 0 344.436 3.766 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CC[C@H](CSc3ccccc3)C2)c1 ZINC000238206675 600929729 /nfs/dbraw/zinc/92/97/29/600929729.db2.gz SHDWBGWGKQMWDA-AWEZNQCLSA-N -1 0 341.432 3.639 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CC[C@@H](CSc3ccccc3)C2)cc1 ZINC000238000369 600930436 /nfs/dbraw/zinc/93/04/36/600930436.db2.gz PZKUTRMDUPRICB-CQSZACIVSA-N -1 0 341.432 3.639 20 0 EHADRM Cc1cccc([C@H]2CCCCN2C(=O)CCSCC(=O)[O-])c1C ZINC000832964782 600933202 /nfs/dbraw/zinc/93/32/02/600933202.db2.gz BJBIWAGZMBYNQJ-MRXNPFEDSA-N -1 0 335.469 3.565 20 0 EHADRM C[C@H](CNC(=O)c1ccccc1NC(=O)[O-])Oc1ccc(Cl)cc1 ZINC000827497258 600933727 /nfs/dbraw/zinc/93/37/27/600933727.db2.gz MKYOTAQBJRYJFU-LLVKDONJSA-N -1 0 348.786 3.627 20 0 EHADRM Cc1ccccc1SCC(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC000738786677 600939214 /nfs/dbraw/zinc/93/92/14/600939214.db2.gz WEXPQLDJASEQAM-UHFFFAOYSA-N -1 0 347.411 3.734 20 0 EHADRM Cc1cccc(CCC(=O)N(CCC(=O)[O-])c2cccc(F)c2)c1 ZINC000738707545 600939294 /nfs/dbraw/zinc/93/92/94/600939294.db2.gz LLVWBVSKWDRFEB-UHFFFAOYSA-N -1 0 329.371 3.575 20 0 EHADRM C[C@@H](C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1)c1cccc(F)c1 ZINC000826061166 600947926 /nfs/dbraw/zinc/94/79/26/600947926.db2.gz CCBOGXOGZYYRJY-MEBBXXQBSA-N -1 0 336.746 3.952 20 0 EHADRM COC(=O)c1cc(NC(=O)c2ccc3ccccc3c2)ccc1C(=O)[O-] ZINC000831308518 600949962 /nfs/dbraw/zinc/94/99/62/600949962.db2.gz AHNWKKAEHKAVDE-UHFFFAOYSA-N -1 0 349.342 3.577 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000180012791 600959339 /nfs/dbraw/zinc/95/93/39/600959339.db2.gz UMXZYZNIJJQANE-RYUDHWBXSA-N -1 0 339.819 3.957 20 0 EHADRM O=C([O-])C[C@H]1CN(CCSc2ccccc2F)c2ccccc21 ZINC000321118310 600960193 /nfs/dbraw/zinc/96/01/93/600960193.db2.gz HJJJJECXESHEBV-ZDUSSCGKSA-N -1 0 331.412 3.996 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(Oc3ccccn3)c2)cc1 ZINC000191589228 600962052 /nfs/dbraw/zinc/96/20/52/600962052.db2.gz NDDPGIIBPJCNSM-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM O=C([O-])C[C@H]1CN(CCCOc2ccc(F)cc2)c2ccccc21 ZINC000391676799 600965673 /nfs/dbraw/zinc/96/56/73/600965673.db2.gz SZALKFVPTGRMNG-AWEZNQCLSA-N -1 0 329.371 3.673 20 0 EHADRM Cc1cc(NC(=O)[C@]2(C)CCc3ccccc3C2)sc1C(=O)[O-] ZINC000832892547 600965699 /nfs/dbraw/zinc/96/56/99/600965699.db2.gz AZCQCGLEZITLGF-GOSISDBHSA-N -1 0 329.421 3.888 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)sc1C(=O)[O-] ZINC000832892784 600965767 /nfs/dbraw/zinc/96/57/67/600965767.db2.gz DYKFVDXFENHFIQ-LIRRHRJNSA-N -1 0 341.432 3.987 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2cccc(N3CCCCCC3)c2)C1 ZINC000833185238 600967130 /nfs/dbraw/zinc/96/71/30/600967130.db2.gz GEKKBTSXNUBDJJ-CVEARBPZSA-N -1 0 344.455 3.897 20 0 EHADRM Cc1ccc([C@@H](C)C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)o1 ZINC000832925283 600967414 /nfs/dbraw/zinc/96/74/14/600967414.db2.gz YQMSXDMKQHRTFE-SNVBAGLBSA-N -1 0 333.409 3.969 20 0 EHADRM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccc(C(=O)[O-])cn2)o1 ZINC000190664405 600967451 /nfs/dbraw/zinc/96/74/51/600967451.db2.gz ZVIJSHBFRBFOHQ-LRDDRELGSA-N -1 0 342.395 3.549 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1C ZINC000180020119 600968499 /nfs/dbraw/zinc/96/84/99/600968499.db2.gz JGGZUJWABGXMIZ-RYRKJORJSA-N -1 0 329.440 3.858 20 0 EHADRM COc1cccc(NC(=O)CCSCc2cc(C(=O)[O-])c(C)o2)c1 ZINC000832562948 600968660 /nfs/dbraw/zinc/96/86/60/600968660.db2.gz RCXOKBLTHBHEAW-UHFFFAOYSA-N -1 0 349.408 3.557 20 0 EHADRM Cc1nc(C)c(CSCC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)s1 ZINC000832995895 600970180 /nfs/dbraw/zinc/97/01/80/600970180.db2.gz NDAYTCSLDSPPGO-UHFFFAOYSA-N -1 0 338.454 3.519 20 0 EHADRM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C1 ZINC000192968426 600971994 /nfs/dbraw/zinc/97/19/94/600971994.db2.gz BMLSBGPZGHFTPX-JJAZEVLHSA-N -1 0 333.403 3.626 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000833293646 600972718 /nfs/dbraw/zinc/97/27/18/600972718.db2.gz BPISYCKJOVMQHT-XOBRGWDASA-N -1 0 339.366 3.757 20 0 EHADRM CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000826687611 600976430 /nfs/dbraw/zinc/97/64/30/600976430.db2.gz LLRCPEHNZPHHJS-NUJGCVRESA-N -1 0 349.446 3.742 20 0 EHADRM CCCCCC(=O)Nc1c(C)c(Br)ccc1C(=O)[O-] ZINC000829305140 600977799 /nfs/dbraw/zinc/97/77/99/600977799.db2.gz SCPIJTAQQRQWFG-UHFFFAOYSA-N -1 0 328.206 3.975 20 0 EHADRM Cc1cc(CN(C)[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)no1 ZINC000566743306 600986026 /nfs/dbraw/zinc/98/60/26/600986026.db2.gz QRXLDJRFSQOHDM-CYBMUJFWSA-N -1 0 329.183 3.548 20 0 EHADRM O=C([O-])c1cnc(/C=C\c2ccc(Oc3cnccn3)cc2)s1 ZINC000437508978 600994674 /nfs/dbraw/zinc/99/46/74/600994674.db2.gz SREAAGQGONCNQD-UTCJRWHESA-N -1 0 325.349 3.594 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000321803446 600994679 /nfs/dbraw/zinc/99/46/79/600994679.db2.gz YUJDUNBUXKYDQW-JTQLQIEISA-N -1 0 332.322 3.574 20 0 EHADRM Cc1cnc(CN(C)[C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)o1 ZINC000832985789 600995876 /nfs/dbraw/zinc/99/58/76/600995876.db2.gz OAJSZGDJZVFIAR-ZDUSSCGKSA-N -1 0 329.183 3.548 20 0 EHADRM C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC000345787658 600998930 /nfs/dbraw/zinc/99/89/30/600998930.db2.gz WGYKAYPGIYXGGG-LRDDRELGSA-N -1 0 331.799 3.776 20 0 EHADRM CCC[C@](C)(NC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000362522861 601001418 /nfs/dbraw/zinc/00/14/18/601001418.db2.gz YJNIMBJHUSLLMS-ZENOOKHLSA-N -1 0 344.238 3.857 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC000362333153 601002537 /nfs/dbraw/zinc/00/25/37/601002537.db2.gz KZPJNGQLMAFGAZ-IBGZPJMESA-N -1 0 339.435 3.725 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1ccc(Cl)c2ncccc12)C(=O)[O-] ZINC000826775149 601002776 /nfs/dbraw/zinc/00/27/76/601002776.db2.gz HTDQRPZZHJAWQF-NSHDSACASA-N -1 0 349.818 3.757 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Nc2ccc3c(c2)CCO3)cc1 ZINC000383954194 601003595 /nfs/dbraw/zinc/00/35/95/601003595.db2.gz NWGMIOOKEWVKII-UHFFFAOYSA-N -1 0 340.379 3.628 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)N(CCC(=O)[O-])CC(C)C)c1 ZINC000236746054 601003792 /nfs/dbraw/zinc/00/37/92/601003792.db2.gz OKCLHEAMKSYFCT-UHFFFAOYSA-N -1 0 333.428 3.605 20 0 EHADRM C[C@H](C(=O)N1CCCC[C@H]1CC(=O)[O-])c1ccccc1C(F)(F)F ZINC000653320830 601004901 /nfs/dbraw/zinc/00/49/01/601004901.db2.gz XBALEFGVMUKOOY-RYUDHWBXSA-N -1 0 343.345 3.665 20 0 EHADRM CCCCCC[C@H](C)C(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000736983176 601008049 /nfs/dbraw/zinc/00/80/49/601008049.db2.gz AYKHFEJUQKSKFK-NHYWBVRUSA-N -1 0 327.371 3.813 20 0 EHADRM CO[C@@H](CNC(=O)Nc1cccc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC000831520178 601008999 /nfs/dbraw/zinc/00/89/99/601008999.db2.gz WOVRUXQGWLHQGP-HNNXBMFYSA-N -1 0 348.786 3.547 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1cnc2ccsc2c1)c1ccccc1 ZINC000736850210 601011488 /nfs/dbraw/zinc/01/14/88/601011488.db2.gz DNSBSKBZRACOJI-OAHLLOKOSA-N -1 0 340.404 3.806 20 0 EHADRM O=C([O-])C[C@@H]1CN(Cc2coc(-c3ccccc3)n2)c2ccccc21 ZINC000327148653 601014801 /nfs/dbraw/zinc/01/48/01/601014801.db2.gz FBSYBMJIGBRZOW-OAHLLOKOSA-N -1 0 334.375 3.920 20 0 EHADRM CCC[C@H]1[C@@H](C)CCCN1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000829246191 601018689 /nfs/dbraw/zinc/01/86/89/601018689.db2.gz WLTBILFZVYQRNG-BBRMVZONSA-N -1 0 334.416 3.583 20 0 EHADRM Cc1ccc(CC[C@H](C)NC(=O)Nc2cccc(NC(=O)[O-])c2)o1 ZINC000832931164 601024000 /nfs/dbraw/zinc/02/40/00/601024000.db2.gz YCOZRXVSSRWSKZ-NSHDSACASA-N -1 0 331.372 3.821 20 0 EHADRM C[C@@H](CC(=O)N(CCC(=O)[O-])c1cccc(F)c1)c1ccc(F)cc1 ZINC000736546492 601028520 /nfs/dbraw/zinc/02/85/20/601028520.db2.gz ZRSKVFFRIZBNIB-ZDUSSCGKSA-N -1 0 347.361 3.966 20 0 EHADRM O=C([O-])CCN(C(=O)c1ccc(C(F)F)cc1)c1cccc(F)c1 ZINC000739713681 601029070 /nfs/dbraw/zinc/02/90/70/601029070.db2.gz ZDYHUBXVMJSEKN-UHFFFAOYSA-N -1 0 337.297 3.885 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)N[C@@H]2C[C@H]2Cc2ccccc2)cc1 ZINC000830514086 601030165 /nfs/dbraw/zinc/03/01/65/601030165.db2.gz MJWFZZZZIKBQIG-RHSMWYFYSA-N -1 0 339.395 3.554 20 0 EHADRM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000828121152 601037181 /nfs/dbraw/zinc/03/71/81/601037181.db2.gz FELCEPQCTUMPGD-QAPCUYQASA-N -1 0 343.358 3.767 20 0 EHADRM CC[C@H]1CN(C(=O)CCc2ccc(C(=O)[O-])cc2)c2ccccc2O1 ZINC000736939702 601041690 /nfs/dbraw/zinc/04/16/90/601041690.db2.gz QVMXBNNRFKCULE-INIZCTEOSA-N -1 0 339.391 3.522 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1F)Cc1cccs1 ZINC000827486702 601042824 /nfs/dbraw/zinc/04/28/24/601042824.db2.gz RTUGMKVWHCRARG-SNVBAGLBSA-N -1 0 336.388 3.586 20 0 EHADRM CN(Cc1ccc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1)C(=O)[O-] ZINC000830835607 601051622 /nfs/dbraw/zinc/05/16/22/601051622.db2.gz IAXFOBJGXHIZRM-BFYDXBDKSA-N -1 0 345.443 3.887 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@@H]2CCSc3ccccc32)cc1C(=O)[O-] ZINC000738966663 601052981 /nfs/dbraw/zinc/05/29/81/601052981.db2.gz BFNOJWSKVLZTMN-CQSZACIVSA-N -1 0 345.420 3.524 20 0 EHADRM CN(CCc1cccs1)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000315953147 601053886 /nfs/dbraw/zinc/05/38/86/601053886.db2.gz AEKBQTBVPMRWPF-UHFFFAOYSA-N -1 0 338.816 3.806 20 0 EHADRM CC(C)c1cc(C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])nn1C ZINC000827106911 601058313 /nfs/dbraw/zinc/05/83/13/601058313.db2.gz GBZYAJNWZUBQIM-UHFFFAOYSA-N -1 0 349.456 3.853 20 0 EHADRM C[C@@H](C(=O)N[C@H](C(=O)[O-])C(C)(C)C)c1ccc(Cl)c(Cl)c1 ZINC000675987267 601059152 /nfs/dbraw/zinc/05/91/52/601059152.db2.gz VJEIUYVSTRHCTR-PRHODGIISA-N -1 0 332.227 3.712 20 0 EHADRM Cc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)o1 ZINC000832919076 601061161 /nfs/dbraw/zinc/06/11/61/601061161.db2.gz WFNVSLKOIUYJHT-LBPRGKRZSA-N -1 0 329.135 3.878 20 0 EHADRM Cc1ccc(C(=O)OCCOc2ccc(C(=O)[O-])cc2Cl)s1 ZINC000832918027 601064097 /nfs/dbraw/zinc/06/40/97/601064097.db2.gz FJYHTFSSLDALCE-UHFFFAOYSA-N -1 0 340.784 3.644 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)cc1C(=O)[O-] ZINC000237695679 601066456 /nfs/dbraw/zinc/06/64/56/601066456.db2.gz MQYBMYBJEPQJGM-ZIAGYGMSSA-N -1 0 331.318 3.714 20 0 EHADRM Cc1[nH]c(C(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)c(C)c1C(=O)[O-] ZINC000738162320 601067320 /nfs/dbraw/zinc/06/73/20/601067320.db2.gz WOSXVYAKTARYSL-MLGOLLRUSA-N -1 0 340.423 3.596 20 0 EHADRM CC(C)C[C@H](C(=O)NC[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000736402155 601068479 /nfs/dbraw/zinc/06/84/79/601068479.db2.gz ORSDYZQMUQVNBA-OALUTQOASA-N -1 0 339.435 3.801 20 0 EHADRM CC/C(=C\C(=O)NC[C@H](C(=O)[O-])c1ccccc1)c1ccc(C)cc1 ZINC000736837390 601068746 /nfs/dbraw/zinc/06/87/46/601068746.db2.gz VTXOEPXVGJKLSM-XAVZPLJISA-N -1 0 337.419 3.773 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc3cnccc32)cc1Cl ZINC000833319830 601069067 /nfs/dbraw/zinc/06/90/67/601069067.db2.gz HEOVNQTZNWBMEV-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1cccc(Cl)c1Cl)c1ccccc1 ZINC000315497055 601070353 /nfs/dbraw/zinc/07/03/53/601070353.db2.gz GNKCDSHURNSTHG-GFCCVEGCSA-N -1 0 338.190 3.592 20 0 EHADRM CC/C=C(\C)C(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000829170590 601071572 /nfs/dbraw/zinc/07/15/72/601071572.db2.gz WSFJXEHTKXJYPA-VZUCSPMQSA-N -1 0 331.393 3.908 20 0 EHADRM CCSCc1cccc(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])c1 ZINC000424382664 601073538 /nfs/dbraw/zinc/07/35/38/601073538.db2.gz ONKSUEKJFLPYAS-AWEZNQCLSA-N -1 0 338.473 3.808 20 0 EHADRM CC[C@@H](CC(=O)NC[C@@H](C(=O)[O-])c1ccccc1)c1ccc(C)cc1 ZINC000262405226 601074791 /nfs/dbraw/zinc/07/47/91/601074791.db2.gz APYNIZOAFOCUBV-QFBILLFUSA-N -1 0 339.435 3.863 20 0 EHADRM COc1cc(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)ccc1C ZINC000831882727 601078751 /nfs/dbraw/zinc/07/87/51/601078751.db2.gz MWXMJFRDBDHFSD-UHFFFAOYSA-N -1 0 348.424 3.708 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000262130270 601084115 /nfs/dbraw/zinc/08/41/15/601084115.db2.gz JQPZGVDSVYHHRE-DNVCBOLYSA-N -1 0 339.435 3.727 20 0 EHADRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)c1coc2ccccc12 ZINC000833178361 601084851 /nfs/dbraw/zinc/08/48/51/601084851.db2.gz GXZICDKGKDBLCA-WMLDXEAASA-N -1 0 341.407 3.928 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1cc2occc2s1 ZINC000833179355 601089703 /nfs/dbraw/zinc/08/97/03/601089703.db2.gz MZIBSCXPUJOSTK-CHWSQXEVSA-N -1 0 347.436 3.990 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)/C=C/c1ccsc1 ZINC000833176188 601091328 /nfs/dbraw/zinc/09/13/28/601091328.db2.gz BLGKZNMJNAVBPQ-MIVXPEEVSA-N -1 0 333.453 3.643 20 0 EHADRM C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000827956074 601092172 /nfs/dbraw/zinc/09/21/72/601092172.db2.gz DQCXESBJEUBTJR-ZDUSSCGKSA-N -1 0 341.411 3.669 20 0 EHADRM Cc1ccc(OCCC(=O)O[C@H](C(=O)[O-])c2ccccc2F)c(C)c1 ZINC000832951942 601099282 /nfs/dbraw/zinc/09/92/82/601099282.db2.gz YOOFGEJVSAQWHF-SFHVURJKSA-N -1 0 346.354 3.581 20 0 EHADRM Cc1cccc(C)c1OCCC(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000832964812 601101513 /nfs/dbraw/zinc/10/15/13/601101513.db2.gz BMDSNQLAAGFHNC-SFHVURJKSA-N -1 0 346.354 3.581 20 0 EHADRM CC(C)COCCC(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000826900393 601106281 /nfs/dbraw/zinc/10/62/81/601106281.db2.gz DMCFQQVTQSFDBX-CQSZACIVSA-N -1 0 349.210 3.725 20 0 EHADRM CCN(C(=O)c1cccc(C(F)(F)F)c1)c1ncc(C(=O)[O-])s1 ZINC000737059101 601112126 /nfs/dbraw/zinc/11/21/26/601112126.db2.gz IAIKKVMRMKBGRN-UHFFFAOYSA-N -1 0 344.314 3.527 20 0 EHADRM Cc1nc(C)c(C(=O)Nc2sc3c(c2C(=O)[O-])CCCCC3)o1 ZINC000738843800 601115922 /nfs/dbraw/zinc/11/59/22/601115922.db2.gz BIOFMYYBLYZKBU-UHFFFAOYSA-N -1 0 334.397 3.572 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1C(F)(F)F ZINC000389950438 601126378 /nfs/dbraw/zinc/12/63/78/601126378.db2.gz NIAPWFGNCMFBQM-QWRGUYRKSA-N -1 0 329.318 3.843 20 0 EHADRM CCCn1ccc2ccc(NC(=O)NC3(CC(=O)[O-])CCC3)cc21 ZINC000649539677 601131160 /nfs/dbraw/zinc/13/11/60/601131160.db2.gz CNNSNWRYBATMAZ-UHFFFAOYSA-N -1 0 329.400 3.570 20 0 EHADRM C[C@H]1c2ccccc2CN1C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000828527843 601133700 /nfs/dbraw/zinc/13/37/00/601133700.db2.gz PPZKBGRFEORQNI-ZDUSSCGKSA-N -1 0 339.395 3.905 20 0 EHADRM COc1ccc(NC(=O)c2cnc3ccccc3c2C)c(C(=O)[O-])c1 ZINC000564138430 601137043 /nfs/dbraw/zinc/13/70/43/601137043.db2.gz HUWHAOASUZTEJN-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cnc3ccccc3c2C)c1 ZINC000832178743 601137785 /nfs/dbraw/zinc/13/77/85/601137785.db2.gz LPJUOSSVBORLOT-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM CCC(C)(C)OCc1cccc(NC(=O)N2CC[C@@H](C(=O)[O-])C2)c1C ZINC000818132484 601138666 /nfs/dbraw/zinc/13/86/66/601138666.db2.gz WRAPTANRXKXFTJ-CQSZACIVSA-N -1 0 348.443 3.639 20 0 EHADRM CCN(CCc1ccccc1)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000829713977 601140423 /nfs/dbraw/zinc/14/04/23/601140423.db2.gz UGKIGZBRKVXWQS-UHFFFAOYSA-N -1 0 326.396 3.790 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Oc2ccc(Oc3ccccn3)cc2)C1 ZINC000833187616 601149015 /nfs/dbraw/zinc/14/90/15/601149015.db2.gz RKNATWVKWPQESI-KBPBESRZSA-N -1 0 341.363 3.670 20 0 EHADRM Cc1ccc(CCCC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)s1 ZINC000237706134 601149971 /nfs/dbraw/zinc/14/99/71/601149971.db2.gz AEYYGCBCVGAWCC-BPUTZDHNSA-N -1 0 335.469 3.624 20 0 EHADRM CC[C@@H](C)[C@H](C)N(C(=O)NCCc1ccc(NC(=O)[O-])cc1)C1CC1 ZINC000828710517 601150623 /nfs/dbraw/zinc/15/06/23/601150623.db2.gz ZOABTYQOKSWPHU-KGLIPLIRSA-N -1 0 347.459 3.928 20 0 EHADRM COc1ccc(OC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c2ccccc12 ZINC000832424358 601159931 /nfs/dbraw/zinc/15/99/31/601159931.db2.gz AUTPEMWHXKRWBU-STQMWFEESA-N -1 0 328.364 3.645 20 0 EHADRM COc1ccc(OC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c2ccccc12 ZINC000832424356 601160173 /nfs/dbraw/zinc/16/01/73/601160173.db2.gz AUTPEMWHXKRWBU-OLZOCXBDSA-N -1 0 328.364 3.645 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cc2occc2s1)c1ccccc1 ZINC000826039125 601171279 /nfs/dbraw/zinc/17/12/79/601171279.db2.gz NDLSVZDBKOBQST-BMIGLBTASA-N -1 0 329.377 3.686 20 0 EHADRM C[C@H]1CSc2ccccc2N1C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000828515758 601174080 /nfs/dbraw/zinc/17/40/80/601174080.db2.gz GBYCOVAJMHHYEV-NSHDSACASA-N -1 0 328.393 3.918 20 0 EHADRM O=C([O-])c1cccc(NC(=O)Nc2ccc(OCC(F)F)cc2)c1 ZINC000833157298 601191091 /nfs/dbraw/zinc/19/10/91/601191091.db2.gz WSKLNOJNBCIPIW-UHFFFAOYSA-N -1 0 336.294 3.673 20 0 EHADRM CC(C)(NC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000236656770 601194901 /nfs/dbraw/zinc/19/49/01/601194901.db2.gz MWBOADFXRNUDEA-UHFFFAOYSA-N -1 0 347.361 3.647 20 0 EHADRM O=C([O-])c1ccc(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)o1 ZINC000321742293 601199442 /nfs/dbraw/zinc/19/94/42/601199442.db2.gz UVNXLGBMNVCGNW-UHFFFAOYSA-N -1 0 330.218 3.517 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2cccc(NC3CCCC3)c2)C1 ZINC000833186424 601211022 /nfs/dbraw/zinc/21/10/22/601211022.db2.gz LXLKMQIVFQKMKQ-UONOGXRCSA-N -1 0 330.428 3.871 20 0 EHADRM CO[C@H](C)c1nc(CNc2ccc(F)c(NC(=O)[O-])c2)cs1 ZINC000831501864 601223296 /nfs/dbraw/zinc/22/32/96/601223296.db2.gz YKMKRPDMENBPOP-MRVPVSSYSA-N -1 0 325.365 3.692 20 0 EHADRM Cc1nc(-c2cccnc2)nc(NCCCCCCC(=O)[O-])c1C ZINC000832993339 601248862 /nfs/dbraw/zinc/24/88/62/601248862.db2.gz TWLDAIILEHSHDG-UHFFFAOYSA-N -1 0 328.416 3.602 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2occc2Br)ccc1Cl ZINC000683313584 601252827 /nfs/dbraw/zinc/25/28/27/601252827.db2.gz SUZHUENKIDAVNQ-UHFFFAOYSA-N -1 0 344.548 3.646 20 0 EHADRM CC[C@](C)(NC(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2)C(=O)[O-] ZINC000828686094 601257460 /nfs/dbraw/zinc/25/74/60/601257460.db2.gz ULACKODNKRTGJB-PNJHUZMHSA-N -1 0 347.377 3.505 20 0 EHADRM CN(C(=O)[C@@H]1C[C@@H]1C1CC1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000830457199 601261684 /nfs/dbraw/zinc/26/16/84/601261684.db2.gz JHYIELZMCYNHRX-GYSYKLTISA-N -1 0 342.222 3.624 20 0 EHADRM CCC1(C(=O)Nc2cc(C(=O)[O-])c(F)cc2Br)CCC1 ZINC000829038676 601269189 /nfs/dbraw/zinc/26/91/89/601269189.db2.gz CFIQQPJFWKXYCS-UHFFFAOYSA-N -1 0 344.180 3.805 20 0 EHADRM CCC1CCC(NC(=O)c2cc(F)c(F)cc2Cl)(C(=O)[O-])CC1 ZINC000390301306 601274704 /nfs/dbraw/zinc/27/47/04/601274704.db2.gz LIJILRDXXDGKLX-UHFFFAOYSA-N -1 0 345.773 3.772 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000236686096 601278060 /nfs/dbraw/zinc/27/80/60/601278060.db2.gz ULQQZLJQHLUDDB-MOJYJUKOSA-N -1 0 327.355 3.561 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c(F)c1 ZINC000237624124 601284989 /nfs/dbraw/zinc/28/49/89/601284989.db2.gz FZSYZGXIECNMTK-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)C/C=C/c2cccc(F)c2)cc1 ZINC000833282671 601285928 /nfs/dbraw/zinc/28/59/28/601285928.db2.gz XQIDCEIGARNTDW-DUXPYHPUSA-N -1 0 328.343 3.635 20 0 EHADRM CCOc1ccccc1NC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000830110082 601307857 /nfs/dbraw/zinc/30/78/57/601307857.db2.gz ZLIKRGZVUDPFGL-HNNXBMFYSA-N -1 0 346.358 3.562 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cc(C(C)C)n(C(C)(C)C)n1 ZINC000538470343 601308489 /nfs/dbraw/zinc/30/84/89/601308489.db2.gz OPVRSPOLIRMRKK-UHFFFAOYSA-N -1 0 337.464 3.525 20 0 EHADRM Cn1cc(NC(=O)c2ccc(OC3CCCCC3)cc2)cc1C(=O)[O-] ZINC000833051189 601311708 /nfs/dbraw/zinc/31/17/08/601311708.db2.gz CCZIWJLLTMGMOL-UHFFFAOYSA-N -1 0 342.395 3.687 20 0 EHADRM CC(C)c1ccc2cc(C(=O)Nc3cc(C(=O)[O-])n(C)c3)[nH]c2c1 ZINC000827129476 601311777 /nfs/dbraw/zinc/31/17/77/601311777.db2.gz NMMXBQBAAFNJET-UHFFFAOYSA-N -1 0 325.368 3.580 20 0 EHADRM Cn1cc(NC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)cc1C(=O)[O-] ZINC000833045797 601312996 /nfs/dbraw/zinc/31/29/96/601312996.db2.gz ORNNARIDMYBQSF-DLBZAZTESA-N -1 0 334.375 3.619 20 0 EHADRM Cn1cc(NC(=O)c2ccc(-c3ccccc3Cl)o2)cc1C(=O)[O-] ZINC000833052253 601321321 /nfs/dbraw/zinc/32/13/21/601321321.db2.gz RSJFYTMNPDTDHB-UHFFFAOYSA-N -1 0 344.754 3.889 20 0 EHADRM CCn1c2cccc(F)c2nc1/C(Cl)=C\c1ccc(C(=O)[O-])[nH]1 ZINC000830408391 601331568 /nfs/dbraw/zinc/33/15/68/601331568.db2.gz ZKIWDJXCBYVDMT-CSKARUKUSA-N -1 0 333.750 3.959 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000828201696 601336589 /nfs/dbraw/zinc/33/65/89/601336589.db2.gz UZENCXAHSLOXJP-KMFMINBZSA-N -1 0 345.443 3.981 20 0 EHADRM Cc1ccc(NC(=S)N[C@@H]2CCOc3ccccc32)cc1C(=O)[O-] ZINC000832949257 601339185 /nfs/dbraw/zinc/33/91/85/601339185.db2.gz RUWWAAMXOXWBMK-OAHLLOKOSA-N -1 0 342.420 3.503 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=S)NCCCC(=O)[O-] ZINC000827935657 601339770 /nfs/dbraw/zinc/33/97/70/601339770.db2.gz UNMVSQHDEUJJES-RYUDHWBXSA-N -1 0 342.892 3.503 20 0 EHADRM C[C@@H](OC(=O)c1ccc(NC(=O)[O-])c(O)c1)c1ncc(C(C)(C)C)o1 ZINC000827862128 601340225 /nfs/dbraw/zinc/34/02/25/601340225.db2.gz VORBZLAIKWBDCS-SECBINFHSA-N -1 0 348.355 3.686 20 0 EHADRM C[C@@H](SCc1nnc(-c2c(Cl)cccc2Cl)o1)C(=O)[O-] ZINC000827907961 601345230 /nfs/dbraw/zinc/34/52/30/601345230.db2.gz DCQVTSBGVUMUKT-ZCFIWIBFSA-N -1 0 333.196 3.750 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])c1nc(Cc2ccc(Cl)cc2)no1 ZINC000827902426 601346115 /nfs/dbraw/zinc/34/61/15/601346115.db2.gz KRVRZSQWYZTGIS-BDAKNGLRSA-N -1 0 326.805 3.581 20 0 EHADRM CO[C@H](C)c1nc(COc2cc(Cl)ccc2C(=O)[O-])cs1 ZINC000831501882 601350440 /nfs/dbraw/zinc/35/04/40/601350440.db2.gz YMXXDQPKOYGGSI-MRVPVSSYSA-N -1 0 327.789 3.781 20 0 EHADRM O=C([O-])c1ccc(NS(=O)(=O)/C=C\c2ccc(Cl)cc2)s1 ZINC000209172793 601357260 /nfs/dbraw/zinc/35/72/60/601357260.db2.gz PBSLZMMNOSLFHN-FPLPWBNLSA-N -1 0 343.813 3.512 20 0 EHADRM O=C([O-])c1cccc(-c2nc(COC(=O)[C@H]3C[C@H]3C3CC3)cs2)c1 ZINC000833327022 601358467 /nfs/dbraw/zinc/35/84/67/601358467.db2.gz ZSNPEXPDTJSSAX-GJZGRUSLSA-N -1 0 343.404 3.598 20 0 EHADRM COc1cccc(/C(C)=C/C(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC000832528527 601359190 /nfs/dbraw/zinc/35/91/90/601359190.db2.gz NVHUHEFKONRFOH-LMMOQWNQSA-N -1 0 330.336 3.694 20 0 EHADRM O=C([O-])c1cccc(OCc2noc(-c3cccc4cccnc43)n2)c1 ZINC000833333750 601366615 /nfs/dbraw/zinc/36/66/15/601366615.db2.gz XRQSUNZYUDFMRK-UHFFFAOYSA-N -1 0 347.330 3.562 20 0 EHADRM O=C([O-])c1cccc(OCc2noc(/C=C/c3cccs3)n2)c1 ZINC000833332429 601366620 /nfs/dbraw/zinc/36/66/20/601366620.db2.gz NNGQCNIAALUHSW-VOTSOKGWSA-N -1 0 328.349 3.579 20 0 EHADRM O=C([O-])c1cccc(OCc2noc(-c3ccc(C(F)F)cc3)n2)c1 ZINC000833332407 601366778 /nfs/dbraw/zinc/36/67/78/601366778.db2.gz NCIXZBKJKGAVQE-UHFFFAOYSA-N -1 0 346.289 3.951 20 0 EHADRM Cc1ccccc1-c1noc(COc2ccccc2NC(=O)[O-])n1 ZINC000832975245 601369113 /nfs/dbraw/zinc/36/91/13/601369113.db2.gz RXLJBBOXMADVLH-UHFFFAOYSA-N -1 0 325.324 3.714 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])s2)c2ccccc2N1 ZINC000826742274 601384100 /nfs/dbraw/zinc/38/41/00/601384100.db2.gz YGVCGZLFOIZLMA-LBPRGKRZSA-N -1 0 330.409 3.543 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1cc2c(cc1Cl)OCCO2 ZINC000830378971 601390016 /nfs/dbraw/zinc/39/00/16/601390016.db2.gz DPJGBDOLRIZNIK-UHFFFAOYSA-N -1 0 337.759 3.577 20 0 EHADRM CCS[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000830158362 601403896 /nfs/dbraw/zinc/40/38/96/601403896.db2.gz VLHLMKLIEZRKBL-ZFWWWQNUSA-N -1 0 336.457 3.879 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N(CC(=O)[O-])c2ccccc2)cc1 ZINC000156290161 601407100 /nfs/dbraw/zinc/40/71/00/601407100.db2.gz MAKYJPHFATZDGS-AWEZNQCLSA-N -1 0 327.380 3.595 20 0 EHADRM C[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1c(F)cccc1Cl ZINC000827630741 601426876 /nfs/dbraw/zinc/42/68/76/601426876.db2.gz SCUNJBHCKGIKRD-LLVKDONJSA-N -1 0 349.789 3.987 20 0 EHADRM C[C@H](C(=O)N(CC(=O)[O-])c1cccc(F)c1)c1ccc(Cl)s1 ZINC000825971787 601427542 /nfs/dbraw/zinc/42/75/42/601427542.db2.gz GBXSEYIWLZLIOH-VIFPVBQESA-N -1 0 341.791 3.762 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)Nc2nc(C)c(C(=O)[O-])s2)cc1 ZINC000828764748 601441142 /nfs/dbraw/zinc/44/11/42/601441142.db2.gz NBIMWHAPOCOMRQ-VIFPVBQESA-N -1 0 334.397 3.579 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2)c2ccccc2N1 ZINC000826742128 601441615 /nfs/dbraw/zinc/44/16/15/601441615.db2.gz VDTSKUZBSIPZAD-INIZCTEOSA-N -1 0 339.395 3.873 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000829014764 601445960 /nfs/dbraw/zinc/44/59/60/601445960.db2.gz PLYLPNSUPFVDOR-MRXNPFEDSA-N -1 0 327.380 3.514 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)C/C=C/c1cccc(F)c1 ZINC000833325747 601446532 /nfs/dbraw/zinc/44/65/32/601446532.db2.gz VZRSMAGZGCWAAZ-DUXPYHPUSA-N -1 0 325.339 3.517 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Nc2ccc(F)cc2C(=O)[O-])cc1 ZINC000832221116 601447421 /nfs/dbraw/zinc/44/74/21/601447421.db2.gz VAFBJMYWGLAHHV-NSHDSACASA-N -1 0 331.343 3.665 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1c(F)c(F)cc(F)c1F ZINC000120204251 601447935 /nfs/dbraw/zinc/44/79/35/601447935.db2.gz AIOITDNIMAXWTD-UHFFFAOYSA-N -1 0 327.233 3.502 20 0 EHADRM Cc1oc(CS[C@@H](C)C(=O)NCc2ccc(C)cc2)cc1C(=O)[O-] ZINC000832932478 601456088 /nfs/dbraw/zinc/45/60/88/601456088.db2.gz LYILONAJAZDSNI-ZDUSSCGKSA-N -1 0 347.436 3.533 20 0 EHADRM CCN(CC)[C@H](C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000829666460 601465763 /nfs/dbraw/zinc/46/57/63/601465763.db2.gz IISDFRFBWGQTFQ-GUYCJALGSA-N -1 0 345.395 3.665 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000767054734 601469710 /nfs/dbraw/zinc/46/97/10/601469710.db2.gz SMZGZQYYFMEVMI-GOSISDBHSA-N -1 0 345.420 3.681 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000326794680 601469730 /nfs/dbraw/zinc/46/97/30/601469730.db2.gz QXGFIRZRVFLGCF-OAHLLOKOSA-N -1 0 349.308 3.530 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000237115598 601469970 /nfs/dbraw/zinc/46/99/70/601469970.db2.gz BZWAAHUQXOEGIM-OHUAYANFSA-N -1 0 344.238 3.857 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000237124528 601471536 /nfs/dbraw/zinc/47/15/36/601471536.db2.gz KZPGBPIZORYDBE-CYBMUJFWSA-N -1 0 335.347 3.672 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000829014993 601471621 /nfs/dbraw/zinc/47/16/21/601471621.db2.gz WLAKAZPXSLEGIK-OLZOCXBDSA-N -1 0 332.352 3.748 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000262484881 601475989 /nfs/dbraw/zinc/47/59/89/601475989.db2.gz FAYYSDMADXGJON-QRWLVFNGSA-N -1 0 337.419 3.699 20 0 EHADRM Cc1cc2cc(NC(=O)N3CCC(CCC(=O)[O-])CC3)ccc2[nH]1 ZINC000656601873 601485971 /nfs/dbraw/zinc/48/59/71/601485971.db2.gz AAIDRMKRBOCNKC-UHFFFAOYSA-N -1 0 329.400 3.585 20 0 EHADRM Cc1ccc(/C=C\CC(=O)Nc2ccc(OCC(=O)[O-])cc2C)cc1 ZINC000832927986 601500580 /nfs/dbraw/zinc/50/05/80/601500580.db2.gz GEUBZWQCRWLYOG-ARJAWSKDSA-N -1 0 339.391 3.809 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)C(C)=C2CCCC2)cc1 ZINC000832777669 601501408 /nfs/dbraw/zinc/50/14/08/601501408.db2.gz WRFIXZFDACMTQW-INIZCTEOSA-N -1 0 333.453 3.931 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)c2ccc3ccc(Cl)cc3n2)c1 ZINC000833268445 601501466 /nfs/dbraw/zinc/50/14/66/601501466.db2.gz WPGNCNUGFRSKLA-UHFFFAOYSA-N -1 0 341.750 3.735 20 0 EHADRM C[C@H]1CC/C(=C\C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC000828200966 601501579 /nfs/dbraw/zinc/50/15/79/601501579.db2.gz MOWRUJFNDSLEPK-HZAKCSEPSA-N -1 0 325.311 3.671 20 0 EHADRM C[C@H]1CC/C(=C\C(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)C1 ZINC000828200129 601501680 /nfs/dbraw/zinc/50/16/80/601501680.db2.gz BYTIAGJEBXDERW-CVCOIXHCSA-N -1 0 337.366 3.515 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N(CC(F)F)c2cccc(Cl)c2)C1 ZINC000833181809 601506988 /nfs/dbraw/zinc/50/69/88/601506988.db2.gz LGYYUAMTLYOKQW-QWRGUYRKSA-N -1 0 345.773 3.829 20 0 EHADRM CCc1cccc(NC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)c1 ZINC000236994859 601526166 /nfs/dbraw/zinc/52/61/66/601526166.db2.gz KRGCDTFLTOBQSP-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1ccc2ccc(Cl)cc2n1 ZINC000238132934 601530694 /nfs/dbraw/zinc/53/06/94/601530694.db2.gz IFRPVGQSGPSQPG-UHFFFAOYSA-N -1 0 334.803 3.653 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2ccc3ccc(Cl)cc3n2)c1 ZINC000191056208 601530723 /nfs/dbraw/zinc/53/07/23/601530723.db2.gz BZHOGGYRTWVYAA-UHFFFAOYSA-N -1 0 344.729 3.978 20 0 EHADRM Cc1cc(C(=O)N(C(C)C)C2CCCC2)cc(C)c1OCC(=O)[O-] ZINC000236701832 601531462 /nfs/dbraw/zinc/53/14/62/601531462.db2.gz KJNJJCPKCCFFBC-UHFFFAOYSA-N -1 0 333.428 3.560 20 0 EHADRM CCN(C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1)c1cccc(F)c1 ZINC000829602761 601532507 /nfs/dbraw/zinc/53/25/07/601532507.db2.gz YMFDXETUJWKIEE-UHFFFAOYSA-N -1 0 345.370 3.573 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1Cc1cnc(Cl)s1 ZINC000833179369 601540792 /nfs/dbraw/zinc/54/07/92/601540792.db2.gz NFEYTYIMOFNCQX-DGCLKSJQSA-N -1 0 328.865 3.652 20 0 EHADRM Cc1ccc(Oc2ccccc2)c(NC(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC000263058041 601553073 /nfs/dbraw/zinc/55/30/73/601553073.db2.gz OBIIJVGONMWNDX-AWEZNQCLSA-N -1 0 340.379 3.726 20 0 EHADRM CC[C@@H](C)[C@@H](C)N(C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1)C1CC1 ZINC000236933610 601556718 /nfs/dbraw/zinc/55/67/18/601556718.db2.gz LSLJRCBQMIFPBU-IUODEOHRSA-N -1 0 347.455 3.806 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)C2(Cc3ccccc3)CC2)c2ccccc21 ZINC000833215212 601567086 /nfs/dbraw/zinc/56/70/86/601567086.db2.gz ABLSBQZQBWREDN-INIZCTEOSA-N -1 0 335.403 3.614 20 0 EHADRM O=C([O-])[C@H](NC(=O)C/C=C/c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000540666262 601584627 /nfs/dbraw/zinc/58/46/27/601584627.db2.gz BAVSAKIWARPYIN-NKEDHYFDSA-N -1 0 347.773 3.825 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2occc2s1)c1ccc(Cl)cc1 ZINC000833126349 601586767 /nfs/dbraw/zinc/58/67/67/601586767.db2.gz UKBQALNVHWHQCE-ZDUSSCGKSA-N -1 0 335.768 3.703 20 0 EHADRM Cc1cc(C(=O)N[C@@H](C(=O)[O-])C2CC2)sc1-c1cccc(Cl)c1 ZINC000832864259 601596264 /nfs/dbraw/zinc/59/62/64/601596264.db2.gz YVEUMQLILOAHJV-CQSZACIVSA-N -1 0 349.839 3.970 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N[C@H](c3ccccc3)[C@@H](C)C(=O)[O-])cc2c1 ZINC000531742960 601608517 /nfs/dbraw/zinc/60/85/17/601608517.db2.gz WZQMYOUSXIKMQS-ACJLOTCBSA-N -1 0 336.391 3.668 20 0 EHADRM CCc1ccc(NC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000830253996 601614988 /nfs/dbraw/zinc/61/49/88/601614988.db2.gz QQOOLKLSWPOWAX-SUMWQHHRSA-N -1 0 326.396 3.833 20 0 EHADRM COc1ccc(C)cc1NC(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832266334 601615220 /nfs/dbraw/zinc/61/52/20/601615220.db2.gz YXFMRTPDHICOPB-CXAGYDPISA-N -1 0 342.395 3.587 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)/C=C\c1nc2ccccc2s1 ZINC000492230249 601616862 /nfs/dbraw/zinc/61/68/62/601616862.db2.gz CACMPHREAAZRRN-KTKRTIGZSA-N -1 0 338.388 3.575 20 0 EHADRM Cc1ccc(C)c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000013173794 601619517 /nfs/dbraw/zinc/61/95/17/601619517.db2.gz SGAFKBDXIOUUOX-INIZCTEOSA-N -1 0 331.799 3.903 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000827033754 601625699 /nfs/dbraw/zinc/62/56/99/601625699.db2.gz QCYIMIHQRVESLL-CYBMUJFWSA-N -1 0 340.807 3.502 20 0 EHADRM CC1(C)CC(=O)c2ccc(OCc3ccc(C(=O)[O-])c(F)c3)cc2O1 ZINC000828056050 601634054 /nfs/dbraw/zinc/63/40/54/601634054.db2.gz OFPGKCCJBLIYAZ-UHFFFAOYSA-N -1 0 344.338 3.847 20 0 EHADRM NC(CCCc1ccccc1)=NOCc1ccc(C(=O)[O-])c(F)c1 ZINC000833088419 601634264 /nfs/dbraw/zinc/63/42/64/601634264.db2.gz IAFCNLHWFULZLY-UHFFFAOYSA-N -1 0 330.359 3.545 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)cc1 ZINC000833319865 601636204 /nfs/dbraw/zinc/63/62/04/601636204.db2.gz QMSITHPCFUQXQW-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM Cc1ccccc1[C@H]1CN(Cc2ccc(C(=O)[O-])c(F)c2)[C@@H](C)CO1 ZINC000659787333 601643962 /nfs/dbraw/zinc/64/39/62/601643962.db2.gz FNPPGGXIVKDYRX-IFXJQAMLSA-N -1 0 343.398 3.794 20 0 EHADRM Cc1sc(NC(=O)Cc2ccc(F)cc2F)c(C(=O)[O-])c1C ZINC000316304597 601644714 /nfs/dbraw/zinc/64/47/14/601644714.db2.gz KDCKWHWLZBHEMF-UHFFFAOYSA-N -1 0 325.336 3.523 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)cc1 ZINC000833266380 601645646 /nfs/dbraw/zinc/64/56/46/601645646.db2.gz MRTJRKPVOJGHID-UHFFFAOYSA-N -1 0 341.260 3.724 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)[C@@H]1C[C@H]1Cc1ccccc1 ZINC000833334444 601658629 /nfs/dbraw/zinc/65/86/29/601658629.db2.gz OCSMXNKTULPUQA-CRAIPNDOSA-N -1 0 335.403 3.543 20 0 EHADRM Cc1nc(CC(C)C)c(C(=O)Nc2cccc(NC(=O)[O-])c2)s1 ZINC000832999257 601668887 /nfs/dbraw/zinc/66/88/87/601668887.db2.gz SAYPXUUTWVCLHY-UHFFFAOYSA-N -1 0 333.413 3.992 20 0 EHADRM Cn1cc(CCC(=O)Nc2ccc(F)cc2C(=O)[O-])c2ccccc21 ZINC000833045309 601670075 /nfs/dbraw/zinc/67/00/75/601670075.db2.gz TYCAXSOIHKPSAG-UHFFFAOYSA-N -1 0 340.354 3.587 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CSc1n[nH]c(-c2ccccc2)n1 ZINC000833030809 601671974 /nfs/dbraw/zinc/67/19/74/601671974.db2.gz CJQMIPLMSPMBLM-UHFFFAOYSA-N -1 0 331.422 3.832 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@H]2CC(C)(C)C)cc(C)c1OCC(=O)[O-] ZINC000237696566 601679144 /nfs/dbraw/zinc/67/91/44/601679144.db2.gz BOYBALWFFUYXRD-INIZCTEOSA-N -1 0 347.455 3.808 20 0 EHADRM C[C@H](CSc1ccc(F)cc1)C(=O)N(CC(=O)[O-])c1ccccc1 ZINC000337763649 601679286 /nfs/dbraw/zinc/67/92/86/601679286.db2.gz YAGLDFLEPDKKQW-CYBMUJFWSA-N -1 0 347.411 3.672 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Cc2cccc(F)c2F)cc1 ZINC000391789441 601681164 /nfs/dbraw/zinc/68/11/64/601681164.db2.gz IZOXCSNGLDGDGH-UHFFFAOYSA-N -1 0 333.334 3.508 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CC(Cc3ccccc3)C2)ccc1Cl ZINC000833300596 601693823 /nfs/dbraw/zinc/69/38/23/601693823.db2.gz MHTCWJKCTUECHJ-UHFFFAOYSA-N -1 0 344.798 3.745 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)CCC(=O)c1ccc(C)cc1 ZINC000832912143 601702642 /nfs/dbraw/zinc/70/26/42/601702642.db2.gz SSXKLHLWDVFQPB-UHFFFAOYSA-N -1 0 346.404 3.769 20 0 EHADRM O=C([O-])c1ccc(COC(=O)CCc2c[nH]c3ccccc23)cc1F ZINC000833100446 601702955 /nfs/dbraw/zinc/70/29/55/601702955.db2.gz AOZBLOBRUNTYEF-UHFFFAOYSA-N -1 0 341.338 3.681 20 0 EHADRM CC(C)(CNC(=O)[C@H](Sc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000236688541 601703789 /nfs/dbraw/zinc/70/37/89/601703789.db2.gz JSURCUMTCPSLCP-MRXNPFEDSA-N -1 0 343.448 3.747 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2ccccc2C(F)(F)F)cc1F ZINC000833315805 601704502 /nfs/dbraw/zinc/70/45/02/601704502.db2.gz GBQTUDCRBSGJJK-UHFFFAOYSA-N -1 0 342.244 3.900 20 0 EHADRM O=C([O-])c1ccc(COC(=O)Cc2cccc3ccccc32)cc1F ZINC000833118656 601704545 /nfs/dbraw/zinc/70/45/45/601704545.db2.gz NKSSMRRVYCGDEP-UHFFFAOYSA-N -1 0 338.334 3.963 20 0 EHADRM CC(C)(CNC(=O)c1cc(C2CC2)nc2ccc(Cl)cc21)C(=O)[O-] ZINC000236714853 601705327 /nfs/dbraw/zinc/70/53/27/601705327.db2.gz WUHAGCJZFJCCIT-UHFFFAOYSA-N -1 0 346.814 3.606 20 0 EHADRM Cc1nc(-c2ccc(C)cc2C)sc1C(=O)NCC(C)(C)C(=O)[O-] ZINC000237808599 601706295 /nfs/dbraw/zinc/70/62/95/601706295.db2.gz JCTAWDNEXVIQIG-UHFFFAOYSA-N -1 0 346.452 3.576 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(-c3ccccc3)ccc2Cl)C[C@H]1C(=O)[O-] ZINC000828388192 601713853 /nfs/dbraw/zinc/71/38/53/601713853.db2.gz WYSDMKBQUYTYSU-BLLLJJGKSA-N -1 0 343.810 3.800 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)Cc1cn(C)c2ccccc12 ZINC000833031082 601725236 /nfs/dbraw/zinc/72/52/36/601725236.db2.gz GGTVNADARGIZRX-UHFFFAOYSA-N -1 0 343.404 3.532 20 0 EHADRM C[C@H]1CN(C(=O)c2cccc(NC(=O)[O-])c2)c2ccccc2S1 ZINC000828401913 601726951 /nfs/dbraw/zinc/72/69/51/601726951.db2.gz JYZSSRUMFRIDHO-NSHDSACASA-N -1 0 328.393 3.918 20 0 EHADRM COc1ccc2[nH]cc(C(=O)OCc3cc(C(=O)[O-])sc3C)c2c1 ZINC000832481485 601727585 /nfs/dbraw/zinc/72/75/85/601727585.db2.gz IIRPXYRNFJRXPU-UHFFFAOYSA-N -1 0 345.376 3.602 20 0 EHADRM C[C@H](CC(=O)OCc1ccc(C(=O)[O-])c(F)c1)c1cccc(F)c1 ZINC000827392284 601729493 /nfs/dbraw/zinc/72/94/93/601729493.db2.gz WXWOUITXWRMJAK-LLVKDONJSA-N -1 0 334.318 3.900 20 0 EHADRM O=C([O-])[C@@H](NC(=O)C[C@H]1CCCc2ccccc21)c1ccccc1F ZINC000678986261 601740796 /nfs/dbraw/zinc/74/07/96/601740796.db2.gz PXDDXHHMVWSCSI-KUHUBIRLSA-N -1 0 341.382 3.578 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cc(F)cc(Cl)c1)c1ccccc1F ZINC000833351114 601743669 /nfs/dbraw/zinc/74/36/69/601743669.db2.gz IUUWIVQMMUWMFB-ZDUSSCGKSA-N -1 0 326.682 3.601 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC000678986629 601743683 /nfs/dbraw/zinc/74/36/83/601743683.db2.gz QOVKTVSUMGBXRJ-ACJLOTCBSA-N -1 0 329.371 3.570 20 0 EHADRM CCc1sc(C(=O)Nc2nc(CCCC(=O)[O-])cs2)cc1C ZINC000387956207 601743917 /nfs/dbraw/zinc/74/39/17/601743917.db2.gz XPLDLEAQCYWWDT-UHFFFAOYSA-N -1 0 338.454 3.735 20 0 EHADRM CC[C@@H](CC(=O)N[C@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000678989412 601746519 /nfs/dbraw/zinc/74/65/19/601746519.db2.gz PTFIWWSTCZSMOW-UGSOOPFHSA-N -1 0 329.371 3.652 20 0 EHADRM O=C([O-])[C@H](NC(=O)CCCc1c[nH]c2ccccc12)C1CCCCC1 ZINC000392307854 601753030 /nfs/dbraw/zinc/75/30/30/601753030.db2.gz JTUQBSDEWOALGX-LJQANCHMSA-N -1 0 342.439 3.640 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cccc(C(F)(F)F)c1F)C1CCCCC1 ZINC000325512027 601754791 /nfs/dbraw/zinc/75/47/91/601754791.db2.gz IOLVYFOOZVNERQ-ZDUSSCGKSA-N -1 0 347.308 3.608 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)C1CCCCC1 ZINC000833125798 601756610 /nfs/dbraw/zinc/75/66/10/601756610.db2.gz QHKQLQSUGQKIJE-JYJNAYRXSA-N -1 0 335.831 3.593 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H](c2ccccc2F)C2CCCC2)cn1 ZINC000238035483 601774575 /nfs/dbraw/zinc/77/45/75/601774575.db2.gz CCPJAQGYQYKZJL-QGZVFWFLSA-N -1 0 342.370 3.580 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(SC3CCCC3)cc2)C[C@H]1C(=O)[O-] ZINC000828377990 601776791 /nfs/dbraw/zinc/77/67/91/601776791.db2.gz NTGZXFVJLULZJM-BLLLJJGKSA-N -1 0 348.468 3.906 20 0 EHADRM Cc1nn(Cc2coc(-c3cccc(F)c3)n2)c(C)c1[C@H](C)C(=O)[O-] ZINC000833021810 601779664 /nfs/dbraw/zinc/77/96/64/601779664.db2.gz VZDRPVOHTRSAFH-JTQLQIEISA-N -1 0 343.358 3.530 20 0 EHADRM Cc1nn(Cc2ccc(C(F)(F)F)cc2)c(C)c1[C@H](C)C(=O)[O-] ZINC000833017071 601779688 /nfs/dbraw/zinc/77/96/88/601779688.db2.gz VAZQVPGYRGCCMJ-VIFPVBQESA-N -1 0 326.318 3.755 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccccc3)c2)C[C@H]1C(=O)[O-] ZINC000327620462 601788579 /nfs/dbraw/zinc/78/85/79/601788579.db2.gz OEQQBCGEQPCJPZ-CXAGYDPISA-N -1 0 340.379 3.663 20 0 EHADRM Cn1c2ccccc2c(Cl)c1C(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC000833038879 601789068 /nfs/dbraw/zinc/78/90/68/601789068.db2.gz KEUIVQMTUUMVBJ-HNNXBMFYSA-N -1 0 348.830 3.595 20 0 EHADRM O=C([O-])c1ccc(OC(=O)c2ccc(F)c(F)c2F)c(Cl)c1 ZINC000833321785 601794112 /nfs/dbraw/zinc/79/41/12/601794112.db2.gz NHCWWFBGXGMLEZ-UHFFFAOYSA-N -1 0 330.645 3.675 20 0 EHADRM C[C@H](c1ccccc1)n1cnnc1SCc1ccsc1C(=O)[O-] ZINC000827949247 601809737 /nfs/dbraw/zinc/80/97/37/601809737.db2.gz JHCVVEYFOSYMSP-LLVKDONJSA-N -1 0 345.449 3.939 20 0 EHADRM COc1cc(OC)cc(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])c1 ZINC000832041189 601809959 /nfs/dbraw/zinc/80/99/59/601809959.db2.gz PZVWBGCLWBKKRM-UHFFFAOYSA-N -1 0 347.392 3.593 20 0 EHADRM O=C([O-])c1c(C2CC2)csc1NC(=O)CSC(F)(F)F ZINC000833114722 601810357 /nfs/dbraw/zinc/81/03/57/601810357.db2.gz JQDUBHHTMDPSSI-UHFFFAOYSA-N -1 0 325.333 3.515 20 0 EHADRM CC(C)CC(C)(C)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000375596643 601810721 /nfs/dbraw/zinc/81/07/21/601810721.db2.gz KTJMPVPTSBJABV-UHFFFAOYSA-N -1 0 342.439 3.823 20 0 EHADRM C[C@@H](C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccc2ccccc2c1 ZINC000825982852 601812179 /nfs/dbraw/zinc/81/21/79/601812179.db2.gz MQYSKJHHNQBSHQ-RDTXWAMCSA-N -1 0 337.419 3.657 20 0 EHADRM CC[C@H]1CC[C@@H](C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])O1 ZINC000829081153 601815143 /nfs/dbraw/zinc/81/51/43/601815143.db2.gz LLBWDLXHZALNJF-ONGXEEELSA-N -1 0 325.430 3.640 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2cccc(OC3CCCC3)c2)CC1 ZINC000540782933 601815351 /nfs/dbraw/zinc/81/53/51/601815351.db2.gz NJOJGYNWXBPDLO-UHFFFAOYSA-N -1 0 345.439 3.725 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2[nH]c3ccccc3c2Cl)CC1 ZINC000537480769 601818515 /nfs/dbraw/zinc/81/85/15/601818515.db2.gz DGOPYXJLINZEJG-UHFFFAOYSA-N -1 0 334.803 3.538 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000050922266 601819396 /nfs/dbraw/zinc/81/93/96/601819396.db2.gz AEMNIKLIBYWVKL-UHFFFAOYSA-N -1 0 330.211 3.710 20 0 EHADRM CCc1ccc([C@H](C)NC(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000659393246 601823270 /nfs/dbraw/zinc/82/32/70/601823270.db2.gz WMECOOUYEMDIPD-AWEZNQCLSA-N -1 0 332.444 3.596 20 0 EHADRM CC(C)c1ccc(CNC(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000324391209 601825097 /nfs/dbraw/zinc/82/50/97/601825097.db2.gz YVEVSVXTSHOWCQ-UHFFFAOYSA-N -1 0 332.444 3.596 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)C(C)C ZINC000659396662 601827386 /nfs/dbraw/zinc/82/73/86/601827386.db2.gz CHZQATLQGYSMEX-IBGZPJMESA-N -1 0 346.471 3.979 20 0 EHADRM O=C([O-])c1ccc(CSCC(=O)Nc2ccccc2Cl)s1 ZINC000833115782 601847106 /nfs/dbraw/zinc/84/71/06/601847106.db2.gz IBVZSRKEDNLJMR-UHFFFAOYSA-N -1 0 341.841 3.972 20 0 EHADRM Cc1ccc(CNC(=O)[C@H](C)SCc2ccc(C(=O)[O-])s2)cc1 ZINC000832932624 601847109 /nfs/dbraw/zinc/84/71/09/601847109.db2.gz RQVFUJDWWCECDS-LBPRGKRZSA-N -1 0 349.477 3.693 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1cncc(-c3ccccc3)c1)C2 ZINC000833326061 601858717 /nfs/dbraw/zinc/85/87/17/601858717.db2.gz HDOCQXZTGXYPOK-UHFFFAOYSA-N -1 0 344.370 3.603 20 0 EHADRM C[C@@H](Nc1nc(Cl)c(C(=O)[O-])s1)c1ccccc1-n1cccn1 ZINC000827773219 601863853 /nfs/dbraw/zinc/86/38/53/601863853.db2.gz DKRUSIMIEDJHBV-SECBINFHSA-N -1 0 348.815 3.854 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)c2cc3ccccc3o2)cc1 ZINC000833263843 601872639 /nfs/dbraw/zinc/87/26/39/601872639.db2.gz AARWPIAEJCTKGK-UHFFFAOYSA-N -1 0 328.345 3.829 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC000827591861 601876452 /nfs/dbraw/zinc/87/64/52/601876452.db2.gz AWQWBDPLXPUJHN-LBPRGKRZSA-N -1 0 348.395 3.787 20 0 EHADRM Cc1cc(OC(C)C)ccc1NC(=O)[C@H](NC(=O)[O-])c1ccccc1 ZINC000740089390 601877135 /nfs/dbraw/zinc/87/71/35/601877135.db2.gz SHERVTLTAXYMTI-QGZVFWFLSA-N -1 0 342.395 3.730 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000830363035 601887139 /nfs/dbraw/zinc/88/71/39/601887139.db2.gz NEBAGCPGOOECSJ-ZBEGNZNMSA-N -1 0 335.425 3.564 20 0 EHADRM COc1c(C)cc(CN(C)C(=O)c2ccc(NC(=O)[O-])cc2)cc1C ZINC000737839212 601890875 /nfs/dbraw/zinc/89/08/75/601890875.db2.gz FVWMRFMJCUNRRW-UHFFFAOYSA-N -1 0 342.395 3.674 20 0 EHADRM CCC[C@H]1CCCN(C(=O)c2ccccc2S[C@H](C)C(=O)[O-])C1 ZINC000191620545 601891468 /nfs/dbraw/zinc/89/14/68/601891468.db2.gz XNHSAVUZKFWZRG-KGLIPLIRSA-N -1 0 335.469 3.904 20 0 EHADRM O=C([O-])c1ccc(CSc2nnc(Cc3cccs3)o2)s1 ZINC000833316627 601894206 /nfs/dbraw/zinc/89/42/06/601894206.db2.gz BEZGZIJSEJUJAP-UHFFFAOYSA-N -1 0 338.435 3.774 20 0 EHADRM O=C([O-])Nc1ccc(OCC(=O)NCCCC2CCCCC2)cc1 ZINC000833290925 601900661 /nfs/dbraw/zinc/90/06/61/601900661.db2.gz VQIPMSNJUWYKAM-UHFFFAOYSA-N -1 0 334.416 3.632 20 0 EHADRM CC(C)OCc1cccc(NC(=O)[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000738862847 601910836 /nfs/dbraw/zinc/91/08/36/601910836.db2.gz DZOXUMYTHOCVFA-KRWDZBQOSA-N -1 0 342.395 3.559 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)C2CCC(NC(=O)[O-])CC2)cc1C ZINC000740116609 601911432 /nfs/dbraw/zinc/91/14/32/601911432.db2.gz BLNBPGROYSIPEI-VJFUWPCTSA-N -1 0 344.455 3.793 20 0 EHADRM C[C@H]1CCCC[C@@H]1N(C)C(=O)CSCc1ccc(C(=O)[O-])s1 ZINC000828245759 601911820 /nfs/dbraw/zinc/91/18/20/601911820.db2.gz NQOHXYUOOZCYPW-AAEUAGOBSA-N -1 0 341.498 3.717 20 0 EHADRM COc1ccc(CCCC(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])cc1 ZINC000262180008 601912827 /nfs/dbraw/zinc/91/28/27/601912827.db2.gz OPVJGQYOXOJJEJ-MSOLQXFVSA-N -1 0 347.455 3.558 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)c1 ZINC000537369649 601924220 /nfs/dbraw/zinc/92/42/20/601924220.db2.gz UMKWEDXFWBXBCE-UXHICEINSA-N -1 0 345.398 3.958 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)CCCc2c[nH]c3ccccc23)c1 ZINC000238214208 601926082 /nfs/dbraw/zinc/92/60/82/601926082.db2.gz PPASXUPCIJGDAU-UHFFFAOYSA-N -1 0 336.391 3.505 20 0 EHADRM C[C@H](CSc1ccc(F)cc1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000537370275 601928424 /nfs/dbraw/zinc/92/84/24/601928424.db2.gz XLGKRTQERGSYJS-GFCCVEGCSA-N -1 0 347.411 3.569 20 0 EHADRM Cc1ccc(NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])c(C)c1O ZINC000832947968 601936143 /nfs/dbraw/zinc/93/61/43/601936143.db2.gz JWGSDGLOYAHXDX-GFCCVEGCSA-N -1 0 345.420 3.827 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C(F)=C1CCCC1)c1ccc(Cl)cc1 ZINC000833265390 601945013 /nfs/dbraw/zinc/94/50/13/601945013.db2.gz ZGZUWQWJUPJHBD-ZDUSSCGKSA-N -1 0 325.767 3.770 20 0 EHADRM Cc1c(NC(=O)c2cccc(OC(F)(F)F)c2)cccc1C(=O)[O-] ZINC000326392859 601962536 /nfs/dbraw/zinc/96/25/36/601962536.db2.gz JVEKEGYBDHOXOJ-UHFFFAOYSA-N -1 0 339.269 3.844 20 0 EHADRM CCOCCC1(c2nc(-c3ccc(C(=O)[O-])cc3)no2)CCCC1 ZINC000829994245 601968425 /nfs/dbraw/zinc/96/84/25/601968425.db2.gz IPEGEYJWDLGOJB-UHFFFAOYSA-N -1 0 330.384 3.673 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)c2cccc(OC(F)(F)F)c2)c1 ZINC000833290080 601983772 /nfs/dbraw/zinc/98/37/72/601983772.db2.gz SMGQTODRGDACIO-UHFFFAOYSA-N -1 0 340.257 3.927 20 0 EHADRM O=C([O-])c1cccc(-c2nc(COC(=O)[C@H]3CC34CCC4)cs2)c1 ZINC000833326409 601984060 /nfs/dbraw/zinc/98/40/60/601984060.db2.gz NFSSBJDVAARUHS-CQSZACIVSA-N -1 0 343.404 3.742 20 0 EHADRM Cc1cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)c(Cl)cc1F ZINC000832867921 601985115 /nfs/dbraw/zinc/98/51/15/601985115.db2.gz GDTWHWBRTOHJGG-CQSZACIVSA-N -1 0 340.709 3.909 20 0 EHADRM CC(C)(C(=O)Nc1ccc(NC(=O)[O-])nc1)c1ccc(Cl)cc1 ZINC000738661333 601990542 /nfs/dbraw/zinc/99/05/42/601990542.db2.gz IASDEZNDMFPDCE-UHFFFAOYSA-N -1 0 333.775 3.741 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)Cc2csc3ccccc23)cn1 ZINC000740709526 601992805 /nfs/dbraw/zinc/99/28/05/601992805.db2.gz JKFQMESLRDZIEQ-UHFFFAOYSA-N -1 0 327.365 3.567 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2csc(-c3ccccc3)n2)s1 ZINC000833352784 602001490 /nfs/dbraw/zinc/00/14/90/602001490.db2.gz IVAGFVVVUCYXLE-UHFFFAOYSA-N -1 0 345.401 3.927 20 0 EHADRM CCCCCCC(=O)N(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000829348074 602002643 /nfs/dbraw/zinc/00/26/43/602002643.db2.gz PEDKARLXTXKGRW-HNNXBMFYSA-N -1 0 331.334 3.658 20 0 EHADRM Cn1c2ccccc2c(Cl)c1C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000833038560 602004142 /nfs/dbraw/zinc/00/41/42/602004142.db2.gz JXCFZPLELLECIO-UHFFFAOYSA-N -1 0 349.795 3.948 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2nc(-c3ccccc3)cs2)s1 ZINC000833315643 602004643 /nfs/dbraw/zinc/00/46/43/602004643.db2.gz YHQZLQTWZNLQLT-UHFFFAOYSA-N -1 0 345.401 3.927 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)s1 ZINC000833314910 602011729 /nfs/dbraw/zinc/01/17/29/602011729.db2.gz LWXXQGHHOYKCNQ-CMPLNLGQSA-N -1 0 338.331 3.571 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)s1 ZINC000833313850 602011732 /nfs/dbraw/zinc/01/17/32/602011732.db2.gz DNINJLSQMOAWIZ-GHMZBOCLSA-N -1 0 338.331 3.571 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000829014574 602012334 /nfs/dbraw/zinc/01/23/34/602012334.db2.gz KPBXZGJPHXQTAE-AWEZNQCLSA-N -1 0 334.393 3.656 20 0 EHADRM CC(C)[C@H](C)CNC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000826681881 602015055 /nfs/dbraw/zinc/01/50/55/602015055.db2.gz SSXWHSFWALUUBT-SECBINFHSA-N -1 0 332.322 3.817 20 0 EHADRM C[C@@H]1C[C@H](C)CN1C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000828168370 602017451 /nfs/dbraw/zinc/01/74/51/602017451.db2.gz OLLDQARRYCKXHE-DTWKUNHWSA-N -1 0 330.306 3.666 20 0 EHADRM CCCc1c(C(=O)Nc2cccc(OCCF)c2)[nH]c(C)c1C(=O)[O-] ZINC000829562667 602026508 /nfs/dbraw/zinc/02/65/08/602026508.db2.gz PKVMXLMOALFEHT-UHFFFAOYSA-N -1 0 348.374 3.574 20 0 EHADRM CCCCC[C@@H](NC(=O)c1cc(C)ccc1Br)C(=O)[O-] ZINC000829326123 602027814 /nfs/dbraw/zinc/02/78/14/602027814.db2.gz FFAJRJBWOHLLJC-CYBMUJFWSA-N -1 0 342.233 3.521 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC000823841465 602029463 /nfs/dbraw/zinc/02/94/63/602029463.db2.gz DTAYLUCMNKCKBG-IBGZPJMESA-N -1 0 343.354 3.555 20 0 EHADRM CC(C)[C@H]1CCN(C(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000826735921 602031626 /nfs/dbraw/zinc/03/16/26/602031626.db2.gz JZCBEZSPKUAJNT-JTQLQIEISA-N -1 0 344.333 3.913 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cn1 ZINC000740712539 602037332 /nfs/dbraw/zinc/03/73/32/602037332.db2.gz VKINQIHDXRWMEX-UHFFFAOYSA-N -1 0 330.731 3.559 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)Nc1c(F)cc(F)cc1F ZINC000833150774 602045800 /nfs/dbraw/zinc/04/58/00/602045800.db2.gz PMRFRXARKKTOEF-MFKMUULPSA-N -1 0 344.333 3.649 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Cn2ccc3ccc(Cl)cc32)c1 ZINC000238124106 602065265 /nfs/dbraw/zinc/06/52/65/602065265.db2.gz HPOUKVVNOBYNSG-UHFFFAOYSA-N -1 0 342.782 3.561 20 0 EHADRM C[C@H]1CCc2c(C(=O)Nc3cccc(CC(=O)[O-])c3)csc2C1 ZINC000261661001 602067069 /nfs/dbraw/zinc/06/70/69/602067069.db2.gz GEJLFPDKJFDPFZ-NSHDSACASA-N -1 0 329.421 3.752 20 0 EHADRM C[C@H](Oc1ccc(-c2nc3cc(Cl)ccc3n2C)cc1)C(=O)[O-] ZINC000827878718 602069047 /nfs/dbraw/zinc/06/90/47/602069047.db2.gz CFSWVDBVCQLDMY-JTQLQIEISA-N -1 0 330.771 3.746 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)C2(c3cccc(Cl)c3)CC2)c1 ZINC000345840730 602074868 /nfs/dbraw/zinc/07/48/68/602074868.db2.gz DMFRSCVZSRKQBX-UHFFFAOYSA-N -1 0 329.783 3.637 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2c[nH]c3cc(Cl)ccc23)c1 ZINC000738622958 602078135 /nfs/dbraw/zinc/07/81/35/602078135.db2.gz WNXLHNNYZQBVJL-UHFFFAOYSA-N -1 0 328.755 3.701 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2[nH]c3ccccc3c2Cl)c1 ZINC000345880717 602078271 /nfs/dbraw/zinc/07/82/71/602078271.db2.gz YRLFIYWIPWHAIM-UHFFFAOYSA-N -1 0 328.755 3.701 20 0 EHADRM COc1ccc(NC(=O)Nc2cccc(CC(=O)[O-])c2)cc1Cl ZINC000321321489 602085634 /nfs/dbraw/zinc/08/56/34/602085634.db2.gz OIRNMZOFLXYPOR-UHFFFAOYSA-N -1 0 334.759 3.620 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)N1CC[C@](C)(C(=O)[O-])C1)C(C)(C)C ZINC000263250317 602087244 /nfs/dbraw/zinc/08/72/44/602087244.db2.gz OVMKTTIFZQFMLA-KXBFYZLASA-N -1 0 332.444 3.588 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccncc1F)c1cc(Cl)cc(Cl)c1 ZINC000833350054 602088408 /nfs/dbraw/zinc/08/84/08/602088408.db2.gz ITUGBERDUKDNAO-LBPRGKRZSA-N -1 0 344.125 3.510 20 0 EHADRM CCO[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(C(=O)[O-])c2C)C12CCC2 ZINC000829918847 602093390 /nfs/dbraw/zinc/09/33/90/602093390.db2.gz UTGDLGXSENLQRZ-CVEARBPZSA-N -1 0 346.427 3.505 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)NCCCCCCCC(=O)[O-])o1 ZINC000832927629 602096638 /nfs/dbraw/zinc/09/66/38/602096638.db2.gz FSWGGQGDXAPEBG-OAHLLOKOSA-N -1 0 336.432 3.860 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000738059144 602100082 /nfs/dbraw/zinc/10/00/82/602100082.db2.gz NYFFSIITHLTIAJ-LBPRGKRZSA-N -1 0 328.368 3.665 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Nc2ccccc2OCC2CC2)c1 ZINC000519532462 602105002 /nfs/dbraw/zinc/10/50/02/602105002.db2.gz WWHBTYUZNBWDOP-UHFFFAOYSA-N -1 0 340.379 3.747 20 0 EHADRM CC(C)c1ncc(C=Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)s1 ZINC000827158270 602109598 /nfs/dbraw/zinc/10/95/98/602109598.db2.gz GCPLRSDGKUVALO-GQCTYLIASA-N -1 0 341.392 3.784 20 0 EHADRM COc1cccc(Oc2ccc(NC(=O)[C@@H](C)CC(=O)[O-])cc2)c1 ZINC000832573284 602113188 /nfs/dbraw/zinc/11/31/88/602113188.db2.gz UUVKLYPBXTVQMV-LBPRGKRZSA-N -1 0 329.352 3.537 20 0 EHADRM Cc1ccc(-c2nnc(CNc3cc(C(=O)[O-])c(F)cc3F)o2)cc1 ZINC000832909112 602127219 /nfs/dbraw/zinc/12/72/19/602127219.db2.gz WOPVISNPIZZOTD-UHFFFAOYSA-N -1 0 345.305 3.634 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N[C@@H](C)c1ccccc1Oc1ccccc1 ZINC000827271493 602139259 /nfs/dbraw/zinc/13/92/59/602139259.db2.gz JINCASTZISNJPH-KBPBESRZSA-N -1 0 327.380 3.767 20 0 EHADRM CCC(CC)(CNC(=O)[C@@H](C)CC(=O)[O-])c1ccc(Cl)cc1 ZINC000828815435 602139765 /nfs/dbraw/zinc/13/97/65/602139765.db2.gz UOPBVBLIXZPJFF-LBPRGKRZSA-N -1 0 325.836 3.625 20 0 EHADRM CCC(=O)c1ccc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000828574166 602140737 /nfs/dbraw/zinc/14/07/37/602140737.db2.gz JZAAOHWVPWGXOG-QGZVFWFLSA-N -1 0 339.391 3.615 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC000827304460 602141117 /nfs/dbraw/zinc/14/11/17/602141117.db2.gz VJDIHQUYGPSPQG-ZDUSSCGKSA-N -1 0 341.411 3.579 20 0 EHADRM CCO[C@@H](CC(=O)NCc1c2ccccc2sc1C(=O)[O-])C(C)C ZINC000829913023 602143285 /nfs/dbraw/zinc/14/32/85/602143285.db2.gz SDONDSODSGMUFD-AWEZNQCLSA-N -1 0 349.452 3.667 20 0 EHADRM CCCNc1ccc(Cl)cc1NC(=O)c1cccc(C(=O)[O-])n1 ZINC000829519767 602146500 /nfs/dbraw/zinc/14/65/00/602146500.db2.gz SBLYSHSQLOBCKD-UHFFFAOYSA-N -1 0 333.775 3.507 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1 ZINC000827310046 602147606 /nfs/dbraw/zinc/14/76/06/602147606.db2.gz FNHOZLSOTOOQQI-NSHDSACASA-N -1 0 349.333 3.593 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)[C@H](C)OC1CCCCCC1)c1ccccc1 ZINC000237558350 602158787 /nfs/dbraw/zinc/15/87/87/602158787.db2.gz VDHRTKNGXQKPHF-VKJFTORMSA-N -1 0 347.455 3.693 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc2sccc2c1)c1cccc(F)c1 ZINC000833245670 602161835 /nfs/dbraw/zinc/16/18/35/602161835.db2.gz DPKQOHHQVODQQX-UHFFFAOYSA-N -1 0 329.352 3.772 20 0 EHADRM COc1cc(OC)cc([C@@H](Nc2ccc(F)c(Cl)c2)C(=O)[O-])c1 ZINC000832063885 602162832 /nfs/dbraw/zinc/16/28/32/602162832.db2.gz BCZONBFDNJOUKA-OAHLLOKOSA-N -1 0 339.750 3.734 20 0 EHADRM CCCOc1cccc(N[C@@H](C(=O)[O-])c2cc(OC)cc(OC)c2)c1 ZINC000829542004 602166778 /nfs/dbraw/zinc/16/67/78/602166778.db2.gz ZUGUNTCYTNYLDQ-GOSISDBHSA-N -1 0 345.395 3.730 20 0 EHADRM COc1cc(OC)cc([C@@H](Nc2ccc3ncsc3c2)C(=O)[O-])c1 ZINC000832068551 602167928 /nfs/dbraw/zinc/16/79/28/602167928.db2.gz XNCIRJBDYBQWJI-MRXNPFEDSA-N -1 0 344.392 3.551 20 0 EHADRM COc1ccccc1[C@@H]1CCCN1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000738130484 602180448 /nfs/dbraw/zinc/18/04/48/602180448.db2.gz RQQIPJTWKJMFQH-INIZCTEOSA-N -1 0 340.379 3.762 20 0 EHADRM Cc1c(C(=O)Nc2cc(C(=O)[O-])cs2)cnn1-c1ccc(C)cc1 ZINC000519576438 602180516 /nfs/dbraw/zinc/18/05/16/602180516.db2.gz LQGLCORRNDXQNV-UHFFFAOYSA-N -1 0 341.392 3.501 20 0 EHADRM O=C([O-])c1csc(NC(=O)CCSc2ccc(F)cc2)c1 ZINC000191327553 602182475 /nfs/dbraw/zinc/18/24/75/602182475.db2.gz DCLQBLMHPBKDBJ-UHFFFAOYSA-N -1 0 325.386 3.706 20 0 EHADRM CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000191354187 602183717 /nfs/dbraw/zinc/18/37/17/602183717.db2.gz OJLQWFPCINOSDO-UHFFFAOYSA-N -1 0 339.800 3.896 20 0 EHADRM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000191384019 602184553 /nfs/dbraw/zinc/18/45/53/602184553.db2.gz GCYHBMGPEXQKNM-NSHDSACASA-N -1 0 339.800 3.896 20 0 EHADRM C/C=C\c1ccc(OCC(=O)Nc2cc(C(=O)[O-])cs2)c(OC)c1 ZINC000571263766 602186422 /nfs/dbraw/zinc/18/64/22/602186422.db2.gz WOCUGDSJXQMNQU-ARJAWSKDSA-N -1 0 347.392 3.506 20 0 EHADRM CCN(C(=O)[C@H](C)CC(=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000829590885 602192344 /nfs/dbraw/zinc/19/23/44/602192344.db2.gz IODZMMXBGKXETA-OAHLLOKOSA-N -1 0 325.408 3.735 20 0 EHADRM Cc1cc(Sc2ccccc2)ccc1NC(=O)CN(C)C(=O)[O-] ZINC000740097801 602194652 /nfs/dbraw/zinc/19/46/52/602194652.db2.gz HPTASEANCDOYEI-UHFFFAOYSA-N -1 0 330.409 3.695 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)O[C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000827325320 602195436 /nfs/dbraw/zinc/19/54/36/602195436.db2.gz RYJFJSHSWVTYNU-YUMQZZPRSA-N -1 0 336.718 3.656 20 0 EHADRM Cc1ccc(SC2(CNC(=O)[C@@H](C)CC(=O)[O-])CCCC2)cc1 ZINC000832957232 602197479 /nfs/dbraw/zinc/19/74/79/602197479.db2.gz GOLDDNNAKXMGRO-AWEZNQCLSA-N -1 0 335.469 3.627 20 0 EHADRM CC(C)c1ccccc1OCC(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000738876433 602201065 /nfs/dbraw/zinc/20/10/65/602201065.db2.gz KYGLRLHQWZRTDI-UHFFFAOYSA-N -1 0 342.395 3.595 20 0 EHADRM CCC[C@@H](C(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccccc1 ZINC000739285875 602202250 /nfs/dbraw/zinc/20/22/50/602202250.db2.gz WTBQUDGZNRJLAD-QGZVFWFLSA-N -1 0 326.396 3.977 20 0 EHADRM COc1cccc(C2(NC(=O)Nc3ccc(C(=O)[O-])c(C)c3)CC2)c1 ZINC000832539757 602205039 /nfs/dbraw/zinc/20/50/39/602205039.db2.gz HDLXGIHGPJPAJF-UHFFFAOYSA-N -1 0 340.379 3.513 20 0 EHADRM C[C@H]1CCCN(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)C1 ZINC000828266514 602227856 /nfs/dbraw/zinc/22/78/56/602227856.db2.gz WEMMTTDOIWUTMX-ZDUSSCGKSA-N -1 0 342.395 3.567 20 0 EHADRM C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000828245927 602228715 /nfs/dbraw/zinc/22/87/15/602228715.db2.gz PIBXFLAVZQHDNW-DOMZBBRYSA-N -1 0 342.395 3.613 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)Nc1cc(F)cc(F)c1)c1ccccc1 ZINC000826102508 602235177 /nfs/dbraw/zinc/23/51/77/602235177.db2.gz AHIXBCYNNFADAC-HNNXBMFYSA-N -1 0 348.349 3.938 20 0 EHADRM COc1cc(NC(=O)Cc2cc(C)ccc2C)ccc1NC(=O)[O-] ZINC000739868475 602240485 /nfs/dbraw/zinc/24/04/85/602240485.db2.gz WKRVXISNLPWRAL-UHFFFAOYSA-N -1 0 328.368 3.583 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)/C=C\c2ccco2)c2ccccc12 ZINC000767068617 602262314 /nfs/dbraw/zinc/26/23/14/602262314.db2.gz MXXIUUCDGZLBAL-YFHOEESVSA-N -1 0 337.331 3.548 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000827874241 602264705 /nfs/dbraw/zinc/26/47/05/602264705.db2.gz XJOOKMNSTFPGNH-WBMJQRKESA-N -1 0 338.375 3.623 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])c2ccccc21 ZINC000739142362 602278971 /nfs/dbraw/zinc/27/89/71/602278971.db2.gz BOVRYOXSCUCMJY-GFCCVEGCSA-N -1 0 337.379 3.883 20 0 EHADRM CC1CCC(N(C)C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])CC1 ZINC000739084874 602279872 /nfs/dbraw/zinc/27/98/72/602279872.db2.gz LEYNDSYTRGTCLP-UHFFFAOYSA-N -1 0 331.416 3.770 20 0 EHADRM COc1ccc(NC(=O)N2CCC[C@H]2C2CCC2)cc1NC(=O)[O-] ZINC000739917423 602285373 /nfs/dbraw/zinc/28/53/73/602285373.db2.gz GAVDIBZTNPFFAN-AWEZNQCLSA-N -1 0 333.388 3.582 20 0 EHADRM Cc1cc(COc2ccc([C@@](C)(O)C(F)(F)F)cc2)oc1C(=O)[O-] ZINC000832885029 602288679 /nfs/dbraw/zinc/28/86/79/602288679.db2.gz IFAMTLVXYINRKI-OAHLLOKOSA-N -1 0 344.285 3.635 20 0 EHADRM O=C([O-])c1ccc(NCc2cc(Br)cs2)cc1F ZINC000128869221 602301787 /nfs/dbraw/zinc/30/17/87/602301787.db2.gz DZMJTTAUWHROPE-UHFFFAOYSA-N -1 0 330.178 3.960 20 0 EHADRM C[C@@H](Sc1ccccn1)c1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000827922589 602309079 /nfs/dbraw/zinc/30/90/79/602309079.db2.gz SSMSFLNGJAGPSY-SNVBAGLBSA-N -1 0 327.365 3.683 20 0 EHADRM CCC(=CC(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F)CC ZINC000828549880 602314206 /nfs/dbraw/zinc/31/42/06/602314206.db2.gz RRYDRVJURFLVSQ-UHFFFAOYSA-N -1 0 325.355 3.515 20 0 EHADRM CN(C[C@H]1CCCN(C(=O)Nc2ccc3ccccc3c2)C1)C(=O)[O-] ZINC000739636485 602327731 /nfs/dbraw/zinc/32/77/31/602327731.db2.gz CLZCTGDIPBXLOM-CQSZACIVSA-N -1 0 341.411 3.694 20 0 EHADRM O=C([O-])CN(Cc1csc(-c2ccc(F)cc2)n1)C1CCCC1 ZINC000582974904 602333732 /nfs/dbraw/zinc/33/37/32/602333732.db2.gz BHFFQTKXYQIVET-UHFFFAOYSA-N -1 0 334.416 3.778 20 0 EHADRM O=C([O-])CN(Cc1coc(-c2ccc(Cl)cc2)n1)C1CCCC1 ZINC000319899133 602336768 /nfs/dbraw/zinc/33/67/68/602336768.db2.gz YYAYUDHTRPKYIQ-UHFFFAOYSA-N -1 0 334.803 3.824 20 0 EHADRM Cc1cc(NC(=O)c2cc(-c3ccc(F)cc3)on2)ccc1C(=O)[O-] ZINC000237831868 602348333 /nfs/dbraw/zinc/34/83/33/602348333.db2.gz JCILDPMJUIAFPM-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000827255436 602350837 /nfs/dbraw/zinc/35/08/37/602350837.db2.gz DUVXKVLZVNMQMM-NSHDSACASA-N -1 0 343.345 3.522 20 0 EHADRM O=C([O-])c1ccc(NC(=O)/C=C\c2ccc3ccccc3n2)cc1F ZINC000833095056 602354314 /nfs/dbraw/zinc/35/43/14/602354314.db2.gz OWQPXJZBUPITNT-NTMALXAHSA-N -1 0 336.322 3.724 20 0 EHADRM CC(C)(CC(=O)[O-])NC(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F ZINC000776623231 602367844 /nfs/dbraw/zinc/36/78/44/602367844.db2.gz JCIZSEZWNUETEO-YRNVUSSQSA-N -1 0 349.736 3.655 20 0 EHADRM CCCCN(Cc1ccccc1F)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000829389637 602369759 /nfs/dbraw/zinc/36/97/59/602369759.db2.gz NPRKOPOFPDBUII-UHFFFAOYSA-N -1 0 347.390 3.697 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCC[C@@H]2c2cccs2)cc1F ZINC000833318865 602374000 /nfs/dbraw/zinc/37/40/00/602374000.db2.gz FNZBSAYJLXNBIC-CYBMUJFWSA-N -1 0 334.372 3.954 20 0 EHADRM CC(C)N(CCC(=O)N(C)[C@H](C)c1cc2ccccc2o1)C(=O)[O-] ZINC000739053506 602374193 /nfs/dbraw/zinc/37/41/93/602374193.db2.gz LHLOEOSWQIQZOG-CYBMUJFWSA-N -1 0 332.400 3.731 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCc2c(F)cccc2Cl)cc1F ZINC000833143857 602374733 /nfs/dbraw/zinc/37/47/33/602374733.db2.gz CMBJTPWZMHCXEO-UHFFFAOYSA-N -1 0 340.713 3.638 20 0 EHADRM Cc1cccc2c1CC[C@@H]2NC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000832973928 602383074 /nfs/dbraw/zinc/38/30/74/602383074.db2.gz GFLFLKVFRVYQPD-INIZCTEOSA-N -1 0 328.343 3.641 20 0 EHADRM CC[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000829033825 602385867 /nfs/dbraw/zinc/38/58/67/602385867.db2.gz XZAXHXLCWSMQDQ-HNNXBMFYSA-N -1 0 331.347 3.534 20 0 EHADRM Cc1ccccc1CC1CN(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000832980961 602386266 /nfs/dbraw/zinc/38/62/66/602386266.db2.gz RQCSMRXKKSRYQV-UHFFFAOYSA-N -1 0 342.370 3.539 20 0 EHADRM COc1ccccc1CC(C)(C)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000767206683 602394629 /nfs/dbraw/zinc/39/46/29/602394629.db2.gz CWTRSEXTWPLWIY-UHFFFAOYSA-N -1 0 345.370 3.740 20 0 EHADRM Cn1c(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)ccc1-c1ccccc1 ZINC000767200921 602403126 /nfs/dbraw/zinc/40/31/26/602403126.db2.gz OUYNKQLSUHLKBZ-UHFFFAOYSA-N -1 0 338.338 3.782 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc([C@@H]2CCCc3ccccc32)n1 ZINC000738814627 602406779 /nfs/dbraw/zinc/40/67/79/602406779.db2.gz DHLJIZOMABNYQE-HUUCEWRRSA-N -1 0 329.400 3.893 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(CCc2ccccc2Cl)n1 ZINC000738824814 602407735 /nfs/dbraw/zinc/40/77/35/602407735.db2.gz SJVRNJFUGQFNRR-CYBMUJFWSA-N -1 0 337.807 3.863 20 0 EHADRM CC(C)N(CCCNC(=O)Nc1ccccc1C(C)(C)C)C(=O)[O-] ZINC000738845684 602408465 /nfs/dbraw/zinc/40/84/65/602408465.db2.gz FSPXKGKTDPRKHJ-UHFFFAOYSA-N -1 0 335.448 3.884 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(CSc2ccc(F)cc2)n1 ZINC000738819009 602409920 /nfs/dbraw/zinc/40/99/20/602409920.db2.gz DYEKFSRZUITRPW-LBPRGKRZSA-N -1 0 339.392 3.856 20 0 EHADRM COc1ccccc1[C@@H](C)Cc1nc([C@H](CC(C)C)NC(=O)[O-])no1 ZINC000739960920 602410153 /nfs/dbraw/zinc/41/01/53/602410153.db2.gz QYHFAMKECFSLPN-JSGCOSHPSA-N -1 0 347.415 3.779 20 0 EHADRM CCc1ccc(OCc2nc([C@H](CC(C)C)NC(=O)[O-])no2)cc1 ZINC000739540557 602411299 /nfs/dbraw/zinc/41/12/99/602411299.db2.gz CIRJYGSOCPDSMZ-AWEZNQCLSA-N -1 0 333.388 3.566 20 0 EHADRM O=C([O-])NC1(c2noc(-c3ccc(OCC4CC4)cc3)n2)CCCC1 ZINC000740547712 602415031 /nfs/dbraw/zinc/41/50/31/602415031.db2.gz AINPYBQELWJNBT-UHFFFAOYSA-N -1 0 343.383 3.562 20 0 EHADRM O=C([O-])NC1(c2noc(-c3cc4cc(Cl)ccc4[nH]3)n2)CCC1 ZINC000740548090 602416808 /nfs/dbraw/zinc/41/68/08/602416808.db2.gz LCRWOCUNSYCHJT-UHFFFAOYSA-N -1 0 332.747 3.518 20 0 EHADRM C[C@H]1CCCC[C@@H]1NC(=S)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739099160 602430952 /nfs/dbraw/zinc/43/09/52/602430952.db2.gz LMBAGUNXAZDOCS-WFASDCNBSA-N -1 0 347.484 3.982 20 0 EHADRM C[C@@H](c1ccccc1F)N(C)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739059567 602450520 /nfs/dbraw/zinc/45/05/20/602450520.db2.gz LCGKSNDABFUTQZ-LBPRGKRZSA-N -1 0 345.374 3.818 20 0 EHADRM C[C@H](Cc1cccs1)NC(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000738949330 602457865 /nfs/dbraw/zinc/45/78/65/602457865.db2.gz NIMSXCPOHAYEFC-CJNGLKHVSA-N -1 0 346.452 3.584 20 0 EHADRM CCc1ccc([C@@H](C)NC(=O)c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000739544661 602481524 /nfs/dbraw/zinc/48/15/24/602481524.db2.gz VOPLMNCHPBYYKS-LLVKDONJSA-N -1 0 330.359 3.969 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CCC[C@H]2c2cccs2)ccc1F ZINC000740692692 602481904 /nfs/dbraw/zinc/48/19/04/602481904.db2.gz FJXKTPUTRGIEIV-ZDUSSCGKSA-N -1 0 334.372 3.954 20 0 EHADRM COc1ccc([C@H](C)N(C)C(=O)c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000739897100 602483312 /nfs/dbraw/zinc/48/33/12/602483312.db2.gz RITBYWBVPIJCBK-NSHDSACASA-N -1 0 346.358 3.757 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(F)c(NC(=O)[O-])c2)[C@@H]2CCCC[C@H]12 ZINC000739112344 602484600 /nfs/dbraw/zinc/48/46/00/602484600.db2.gz HMYPSJHEIZQUCK-AXAPSJFSSA-N -1 0 334.391 3.956 20 0 EHADRM CSc1ccsc1C(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000740020843 602484864 /nfs/dbraw/zinc/48/48/64/602484864.db2.gz PAZOOXNEQYEGJB-UHFFFAOYSA-N -1 0 336.438 3.832 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CNC(=O)c2ccc(F)c(NC(=O)[O-])c2)o1 ZINC000739086016 602485151 /nfs/dbraw/zinc/48/51/51/602485151.db2.gz DENJUAIBRYSSHE-CABZTGNLSA-N -1 0 332.331 3.562 20 0 EHADRM O=C([O-])Nc1cc(C(=O)NCc2cc3ccccc3o2)ccc1F ZINC000740696927 602485242 /nfs/dbraw/zinc/48/52/42/602485242.db2.gz VRHNZRPJRNZHBW-UHFFFAOYSA-N -1 0 328.299 3.592 20 0 EHADRM CSc1ccsc1C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000740019340 602487715 /nfs/dbraw/zinc/48/77/15/602487715.db2.gz AIKUVQFZEYBEHY-UHFFFAOYSA-N -1 0 334.422 3.763 20 0 EHADRM COc1ccc(SCCC(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000739933269 602501359 /nfs/dbraw/zinc/50/13/59/602501359.db2.gz OFHHFEVDISXZMQ-UHFFFAOYSA-N -1 0 346.408 3.906 20 0 EHADRM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C1CCC(NC(=O)[O-])CC1 ZINC000738891171 602501596 /nfs/dbraw/zinc/50/15/96/602501596.db2.gz POMZHSJSHRSVNE-NNGSBXSVSA-N -1 0 344.455 3.640 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)Cc2ccccc2Br)cc1 ZINC000738665115 602504947 /nfs/dbraw/zinc/50/49/47/602504947.db2.gz LQMXWONONCNIQF-UHFFFAOYSA-N -1 0 349.184 3.720 20 0 EHADRM O=C(/C=C/c1ccsc1)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000740352357 602507201 /nfs/dbraw/zinc/50/72/01/602507201.db2.gz YKQMACVTIAFTMA-ZZXKWVIFSA-N -1 0 328.393 3.831 20 0 EHADRM C[C@@H](NC(=O)[O-])C(=O)N[C@@H](c1ccccc1)c1cccc2ccccc21 ZINC000738994168 602538200 /nfs/dbraw/zinc/53/82/00/602538200.db2.gz IATQFLLVKHNAPT-KUHUBIRLSA-N -1 0 348.402 3.702 20 0 EHADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000738934056 602597234 /nfs/dbraw/zinc/59/72/34/602597234.db2.gz PUIUNKZALDRPCJ-ZDUSSCGKSA-N -1 0 343.383 3.599 20 0 EHADRM C[C@@H](CNC(=O)[O-])N(C)C(=O)Nc1ccccc1-c1cccs1 ZINC000738933767 602598476 /nfs/dbraw/zinc/59/84/76/602598476.db2.gz OESMDPHBHDNZGP-NSHDSACASA-N -1 0 333.413 3.535 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000739893940 602601127 /nfs/dbraw/zinc/60/11/27/602601127.db2.gz CZFATHRZTSZURH-LLVKDONJSA-N -1 0 329.356 3.668 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)N3CCC[C@@H]3C3CC3)ccc21 ZINC000740522990 602608270 /nfs/dbraw/zinc/60/82/70/602608270.db2.gz AULZABPZICZTRX-OAHLLOKOSA-N -1 0 329.400 3.524 20 0 EHADRM CC(=O)c1cccc(OC(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000738600615 602642494 /nfs/dbraw/zinc/64/24/94/602642494.db2.gz JCTAYYOCWWCGKZ-QGZVFWFLSA-N -1 0 341.363 3.584 20 0 EHADRM O=C([O-])NCc1ccc2c(c1)CCCN2C(=O)c1ccc2[nH]ccc2c1 ZINC000740675531 602645812 /nfs/dbraw/zinc/64/58/12/602645812.db2.gz KSLJEHYQLTVWHP-UHFFFAOYSA-N -1 0 349.390 3.529 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)c1csc(CNC(=O)[O-])n1 ZINC000740158980 602694098 /nfs/dbraw/zinc/69/40/98/602694098.db2.gz MPYJLOKNCPVFRT-UHFFFAOYSA-N -1 0 333.413 3.595 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1NC(=O)NCCCNC(=O)[O-] ZINC000740090271 602711753 /nfs/dbraw/zinc/71/17/53/602711753.db2.gz BBYKRVJZRYKXCU-UHFFFAOYSA-N -1 0 343.383 3.567 20 0 EHADRM COc1cccc([C@H]2C[C@H]2C(=O)Nc2ccccc2NC(=O)[O-])c1 ZINC000739947899 602733076 /nfs/dbraw/zinc/73/30/76/602733076.db2.gz FATMWQRMMVLTJP-ZIAGYGMSSA-N -1 0 326.352 3.527 20 0 EHADRM CCN(Cc1cccc(NC(=O)CCCc2ccccn2)c1)C(=O)[O-] ZINC000739441078 602776614 /nfs/dbraw/zinc/77/66/14/602776614.db2.gz LEIIBEBBRLVTGR-UHFFFAOYSA-N -1 0 341.411 3.543 20 0 EHADRM CC(C)(CCC(=O)N1CCCCC[C@H]1c1ccccc1)NC(=O)[O-] ZINC000738740926 602792992 /nfs/dbraw/zinc/79/29/92/602792992.db2.gz WPZVXMKKPQRJLR-INIZCTEOSA-N -1 0 332.444 3.957 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)CCC(C)(C)NC(=O)[O-] ZINC000740016537 602797624 /nfs/dbraw/zinc/79/76/24/602797624.db2.gz QUSGMRLXWGNJEN-UHFFFAOYSA-N -1 0 330.837 3.827 20 0 EHADRM CC[C@H](CC(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)[O-])C1)c1ccc(C)cc1 ZINC000739248136 602800293 /nfs/dbraw/zinc/80/02/93/602800293.db2.gz CIJUQHYOHVLBPV-LZLYRXPVSA-N -1 0 346.471 3.773 20 0 EHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)CCC(C)(C)NC(=O)[O-])o1 ZINC000740119495 602820813 /nfs/dbraw/zinc/82/08/13/602820813.db2.gz XAQNJWNLJUKBDE-AWEZNQCLSA-N -1 0 336.432 3.858 20 0 EHADRM COc1ccc(NC(=O)[C@@H](C)[C@H](NC(=O)[O-])c2ccccc2)c(C)c1 ZINC000829441406 602823723 /nfs/dbraw/zinc/82/37/23/602823723.db2.gz HRKGDLJQAURBDN-GUYCJALGSA-N -1 0 342.395 3.587 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)NCC[C@@H]2CCN(C(=O)[O-])C2)cc1 ZINC000738875418 602834830 /nfs/dbraw/zinc/83/48/30/602834830.db2.gz GNJKSNQYAJLJGU-JKSUJKDBSA-N -1 0 346.471 3.810 20 0 EHADRM CCC[C@@H](CC1CCCCC1)C(=O)N1CCC(CNC(=O)[O-])CC1 ZINC000739308515 602846415 /nfs/dbraw/zinc/84/64/15/602846415.db2.gz XKARKZISDYHJDC-KRWDZBQOSA-N -1 0 338.492 3.879 20 0 EHADRM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1coc2ccccc12 ZINC000740519024 602846450 /nfs/dbraw/zinc/84/64/50/602846450.db2.gz RWCGPNVEWOOWEO-JKSUJKDBSA-N -1 0 342.395 3.570 20 0 EHADRM CC(C)(C)c1cc(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)n[nH]1 ZINC000738732822 602852581 /nfs/dbraw/zinc/85/25/81/602852581.db2.gz ZMWYZTMLBQIRLO-UHFFFAOYSA-N -1 0 336.779 3.703 20 0 EHADRM C[C@@H]1C[C@H]1c1cc(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)n[nH]1 ZINC000739082434 602856183 /nfs/dbraw/zinc/85/61/83/602856183.db2.gz MKSMRDZVBBQEHI-GMSGAONNSA-N -1 0 334.763 3.529 20 0 EHADRM C[C@H](C(=O)N1CCC[C@H]1C(C)(C)C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823668169 602856473 /nfs/dbraw/zinc/85/64/73/602856473.db2.gz CDTMVTKYPDMJQT-BPUTZDHNSA-N -1 0 332.444 3.669 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)cc1 ZINC000738662492 602878503 /nfs/dbraw/zinc/87/85/03/602878503.db2.gz ADHZTFKDBMVLCI-VXGBXAGGSA-N -1 0 332.306 3.797 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N1CCCC[C@H]1[C@H](C)NC(=O)[O-] ZINC000740184109 602900895 /nfs/dbraw/zinc/90/08/95/602900895.db2.gz NFHVOMDAFDJDAM-VYDXJSESSA-N -1 0 332.444 3.526 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000824817038 602905389 /nfs/dbraw/zinc/90/53/89/602905389.db2.gz NJNSJLCOFGJANQ-CYBMUJFWSA-N -1 0 344.386 3.801 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cccc(Cl)c2Cl)CC[C@H]1NC(=O)[O-] ZINC000739144171 602908174 /nfs/dbraw/zinc/90/81/74/602908174.db2.gz INVJSRQWCRJVIP-PSASIEDQSA-N -1 0 346.214 3.503 20 0 EHADRM CC(C)(CC(=O)Nc1ccc(OCc2ccccc2)cc1)NC(=O)[O-] ZINC000738735410 602930974 /nfs/dbraw/zinc/93/09/74/602930974.db2.gz PSBYMFFLKAVCEP-UHFFFAOYSA-N -1 0 342.395 3.640 20 0 EHADRM O=C([O-])N1CCc2c(cccc2NC(=O)c2cccc(F)c2Cl)C1 ZINC000831789222 602942727 /nfs/dbraw/zinc/94/27/27/602942727.db2.gz PGQUYPJLZRLZAZ-UHFFFAOYSA-N -1 0 348.761 3.768 20 0 EHADRM CC(C)Oc1ccc(NC(=O)CC(C)(C)NC(=O)[O-])cc1Cl ZINC000738866233 602951809 /nfs/dbraw/zinc/95/18/09/602951809.db2.gz YPASFRLZSSHFSS-UHFFFAOYSA-N -1 0 328.796 3.502 20 0 EHADRM C[C@H](CC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1)NC(=O)[O-] ZINC000824583943 602957853 /nfs/dbraw/zinc/95/78/53/602957853.db2.gz WKJMBNDLJHTNCO-IUODEOHRSA-N -1 0 338.835 3.830 20 0 EHADRM CN(C)c1ccc([C@@H]2C[C@@H]2C(=O)Oc2ccc(NC(=O)[O-])cc2)cc1 ZINC000737376008 602960705 /nfs/dbraw/zinc/96/07/05/602960705.db2.gz AXFSIMGNCAMIHQ-IRXDYDNUSA-N -1 0 340.379 3.552 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000738668174 602961264 /nfs/dbraw/zinc/96/12/64/602961264.db2.gz XAYKMVJXYXUIHG-OLZOCXBDSA-N -1 0 333.290 3.764 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)cc1 ZINC000738667479 602965980 /nfs/dbraw/zinc/96/59/80/602965980.db2.gz PMLXIYCKMCZQLX-QWHCGFSZSA-N -1 0 333.290 3.764 20 0 EHADRM CCCCOc1ccc(NC(=O)[C@@H]2CCC[C@H]2NC(=O)[O-])c(C)c1 ZINC000739339703 602967198 /nfs/dbraw/zinc/96/71/98/602967198.db2.gz QQWHKOAHNSJEKU-GDBMZVCRSA-N -1 0 334.416 3.549 20 0 EHADRM Cc1nc(C(C)(C)NC(=O)c2ccc(C)c(NC(=O)[O-])c2)sc1C ZINC000830204482 602968030 /nfs/dbraw/zinc/96/80/30/602968030.db2.gz GFGSPKPGZMTIMT-UHFFFAOYSA-N -1 0 347.440 3.823 20 0 EHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)C[C@H]2CCCN2C(=O)[O-])o1 ZINC000830284029 602975505 /nfs/dbraw/zinc/97/55/05/602975505.db2.gz YPYDWLACJVFSQY-CABCVRRESA-N -1 0 334.416 3.564 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@H]1C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000740568106 602975549 /nfs/dbraw/zinc/97/55/49/602975549.db2.gz ISVSGRRVDSYIBH-NEPJUHHUSA-N -1 0 345.424 3.549 20 0 EHADRM C[C@H]1CN(C(=O)CCCCCCNC(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000739125534 602982777 /nfs/dbraw/zinc/98/27/77/602982777.db2.gz AQMURHAVNIBSBK-WMZOPIPTSA-N -1 0 346.471 3.857 20 0 EHADRM O=C([O-])N1CCC(n2cccc2C(=O)Oc2ccccc2Cl)CC1 ZINC000740725084 602995618 /nfs/dbraw/zinc/99/56/18/602995618.db2.gz CJGOAGORVHGNCM-UHFFFAOYSA-N -1 0 348.786 3.676 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(-c2ccc(C(F)(F)F)nc2)n1 ZINC000738814438 603000118 /nfs/dbraw/zinc/00/01/18/603000118.db2.gz CFKYJMGPOQBBTR-VIFPVBQESA-N -1 0 344.293 3.505 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc([C@@H](C)OCc2ccccc2)n1 ZINC000738815009 603001342 /nfs/dbraw/zinc/00/13/42/603001342.db2.gz FFVPPEGTJNWOKF-OCCSQVGLSA-N -1 0 333.388 3.702 20 0 EHADRM CC[C@@H](Cc1ccccc1)c1nc(C2(NC(=O)[O-])CCCC2)no1 ZINC000739260434 603002063 /nfs/dbraw/zinc/00/20/63/603002063.db2.gz PXNMPBBPLSFXKQ-AWEZNQCLSA-N -1 0 329.400 3.843 20 0 EHADRM COc1cccc2cc(-c3nc(C4(NC(=O)[O-])CCCC4)no3)oc21 ZINC000739952558 603003101 /nfs/dbraw/zinc/00/31/01/603003101.db2.gz BDEAAOYRDKXXCO-UHFFFAOYSA-N -1 0 343.339 3.528 20 0 EHADRM C[C@H](NC(=O)CCNC(=O)[O-])c1ccccc1-c1ccc(Cl)cc1 ZINC000736636299 603008157 /nfs/dbraw/zinc/00/81/57/603008157.db2.gz LGJGCQOGPSUROP-LBPRGKRZSA-N -1 0 346.814 3.842 20 0 EHADRM CC[C@H](c1ccncc1)N(CC)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736929645 603008589 /nfs/dbraw/zinc/00/85/89/603008589.db2.gz OOTWIWYQLSHKGE-MRXNPFEDSA-N -1 0 327.384 3.785 20 0 EHADRM Cc1ccc(NC(=O)CNc2cc(NC(=O)[O-])ccc2F)cc1C ZINC000740136463 603020299 /nfs/dbraw/zinc/02/02/99/603020299.db2.gz RBZKCVOBHUUSDM-UHFFFAOYSA-N -1 0 331.347 3.583 20 0 EHADRM C[C@@H](CN(C)C(=O)[O-])c1noc([C@H](C)SCc2ccccc2)n1 ZINC000738908807 603021467 /nfs/dbraw/zinc/02/14/67/603021467.db2.gz OSISCZOSFHEWRI-RYUDHWBXSA-N -1 0 335.429 3.777 20 0 EHADRM O=C([O-])N[C@H](CNC(=O)c1cc2sccc2s1)c1ccccc1 ZINC000740534332 603033917 /nfs/dbraw/zinc/03/39/17/603033917.db2.gz LDJOVWUURKNLMV-LLVKDONJSA-N -1 0 346.433 3.702 20 0 EHADRM O=C([O-])N[C@H](CNC(=O)c1cccc2ccccc21)c1ccccc1 ZINC000740538003 603035010 /nfs/dbraw/zinc/03/50/10/603035010.db2.gz WISYKUYEJQHNDI-GOSISDBHSA-N -1 0 334.375 3.579 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@H]1C(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000740576582 603036088 /nfs/dbraw/zinc/03/60/88/603036088.db2.gz YBKOWHUBTOOCCK-SJORKVTESA-N -1 0 345.443 3.806 20 0 EHADRM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)CCC(C)(C)NC(=O)[O-])C1 ZINC000739080067 603039003 /nfs/dbraw/zinc/03/90/03/603039003.db2.gz BHGHWNRDMJLSPX-DOMZBBRYSA-N -1 0 336.407 3.562 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N2CCc3ccccc3C2)c1 ZINC000740704362 603043264 /nfs/dbraw/zinc/04/32/64/603043264.db2.gz CZFOKIKVUKVNFQ-UHFFFAOYSA-N -1 0 329.331 3.506 20 0 EHADRM Cc1cc(C)cc(OCCC(=O)Oc2ccc(N(C)C(=O)[O-])cc2)c1 ZINC000830004985 603045191 /nfs/dbraw/zinc/04/51/91/603045191.db2.gz VBLSPZHPWZRDRM-UHFFFAOYSA-N -1 0 343.379 3.792 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)c2coc(-c3ccccc3)n2)cc1 ZINC000827921808 603054590 /nfs/dbraw/zinc/05/45/90/603054590.db2.gz SLHQIWBPBYGXBL-UHFFFAOYSA-N -1 0 338.319 3.675 20 0 EHADRM Cc1ccc(NC(=O)[C@H](CNC(=O)[O-])c2ccccc2)c(Cl)c1 ZINC000740137281 603078445 /nfs/dbraw/zinc/07/84/45/603078445.db2.gz XVRHLJYOVCKPSR-CYBMUJFWSA-N -1 0 332.787 3.638 20 0 EHADRM Cc1cc(NC(=O)c2ccc(CNC(=O)[O-])cc2)c2cccnc2c1C ZINC000830117415 603081957 /nfs/dbraw/zinc/08/19/57/603081957.db2.gz WTLOOQVZBZLFEJ-UHFFFAOYSA-N -1 0 349.390 3.872 20 0 EHADRM CCN(Cc1cccc(NC(=O)NCc2cccc(F)c2)c1)C(=O)[O-] ZINC000739444763 603142992 /nfs/dbraw/zinc/14/29/92/603142992.db2.gz BQVYELMKHMXBOP-UHFFFAOYSA-N -1 0 345.374 3.647 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)Nc2ccc(-c3nccs3)cc2)C1 ZINC000740569069 603155500 /nfs/dbraw/zinc/15/55/00/603155500.db2.gz HERGRSUNZGIIOG-TZMCWYRMSA-N -1 0 345.424 3.575 20 0 EHADRM Cc1ccc(NC(=O)[C@H](C)Oc2ccc(NC(=O)[O-])cc2)cc1C ZINC000830356660 603157273 /nfs/dbraw/zinc/15/72/73/603157273.db2.gz ABZKNDIEKKSZSC-ZDUSSCGKSA-N -1 0 328.368 3.799 20 0 EHADRM C[C@H](c1cc2ccccc2o1)N(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739053207 603163422 /nfs/dbraw/zinc/16/34/22/603163422.db2.gz KYRQLCWKTCGFNN-BPLDGKMQSA-N -1 0 344.411 3.779 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739056084 603164567 /nfs/dbraw/zinc/16/45/67/603164567.db2.gz ZNTMKWCAUGXGFJ-OSAQELSMSA-N -1 0 338.835 3.686 20 0 EHADRM CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739440548 603165937 /nfs/dbraw/zinc/16/59/37/603165937.db2.gz CLQVPKUZUTYQLL-UKRRQHHQSA-N -1 0 338.835 3.515 20 0 EHADRM CCN(Cc1ccccc1Cl)C(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739443294 603166010 /nfs/dbraw/zinc/16/60/10/603166010.db2.gz JBFLLQHHLXOZEV-OCCSQVGLSA-N -1 0 338.835 3.515 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)CCC(=O)c2ccccc2)cc1 ZINC000825416033 603170756 /nfs/dbraw/zinc/17/07/56/603170756.db2.gz JGZZSJNFCWGKSD-CYBMUJFWSA-N -1 0 340.379 3.617 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)[C@H](C)OCc2ccccc2)cc1 ZINC000825612511 603173624 /nfs/dbraw/zinc/17/36/24/603173624.db2.gz SVCIFKKKIQXLDQ-KGLIPLIRSA-N -1 0 342.395 3.559 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)[C@@H](C)c2cccc(F)c2)cc1 ZINC000825415597 603176762 /nfs/dbraw/zinc/17/67/62/603176762.db2.gz HAAHYHDNLPEUEI-NWDGAFQWSA-N -1 0 330.359 3.897 20 0 EHADRM CCSc1ccc(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)cn1 ZINC000827508089 603178094 /nfs/dbraw/zinc/17/80/94/603178094.db2.gz JNONHJWGNLOWET-NSHDSACASA-N -1 0 345.424 3.775 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)Cc2ccccc2Cl)cc1 ZINC000825422130 603178662 /nfs/dbraw/zinc/17/86/62/603178662.db2.gz GBEGJWMDRPRDFZ-NSHDSACASA-N -1 0 332.787 3.850 20 0 EHADRM CN(Cc1ccccc1NC(=O)[C@@H]1C[C@H]1C1CCCCC1)C(=O)[O-] ZINC000739710602 603184621 /nfs/dbraw/zinc/18/46/21/603184621.db2.gz OGRPOIWBTXNEMB-JKSUJKDBSA-N -1 0 330.428 3.951 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC[C@@H]1NC(=O)[O-] ZINC000739145688 603185415 /nfs/dbraw/zinc/18/54/15/603185415.db2.gz JODQOLIPXSHUEJ-PELKAZGASA-N -1 0 346.214 3.503 20 0 EHADRM COc1cc(Cl)ccc1C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000829134972 603186990 /nfs/dbraw/zinc/18/69/90/603186990.db2.gz NKOGAYKLELMNIM-JTQLQIEISA-N -1 0 348.786 3.930 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N(C)CCCNC(=O)[O-] ZINC000740031245 603188941 /nfs/dbraw/zinc/18/89/41/603188941.db2.gz HVQIKHUBNIPGNA-UHFFFAOYSA-N -1 0 340.379 3.624 20 0 EHADRM CC(C)(NC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000738753764 603193082 /nfs/dbraw/zinc/19/30/82/603193082.db2.gz YETPTHQLEMILKC-SMDDNHRTSA-N -1 0 338.835 3.518 20 0 EHADRM O=C([O-])N1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cc2occc2s1 ZINC000740518381 603196050 /nfs/dbraw/zinc/19/60/50/603196050.db2.gz QQJKXIIWRRMREW-RYUDHWBXSA-N -1 0 348.424 3.631 20 0 EHADRM C[C@H](CNC(=O)Cc1ccc(NC(=O)[O-])cc1)c1ccc(F)cc1F ZINC000824921230 603207913 /nfs/dbraw/zinc/20/79/13/603207913.db2.gz DEQPDEJFQFOHFR-LLVKDONJSA-N -1 0 348.349 3.517 20 0 EHADRM CC(C)N(CC(F)(F)F)C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000738835533 603221145 /nfs/dbraw/zinc/22/11/45/603221145.db2.gz AZXGJDRUHNCVKR-UHFFFAOYSA-N -1 0 338.713 3.843 20 0 EHADRM COc1cc(CNC(=O)c2ccc(NC(=O)[O-])cc2Cl)ccc1C ZINC000739863341 603229361 /nfs/dbraw/zinc/22/93/61/603229361.db2.gz SDVMZGNXUBOKNC-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM Cc1cn2cc(NC(=O)c3ccc(NC(=O)[O-])cc3Cl)ccc2n1 ZINC000740198640 603239047 /nfs/dbraw/zinc/23/90/47/603239047.db2.gz SHIRVQPAPSWQIV-UHFFFAOYSA-N -1 0 344.758 3.638 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=S)NCc2ccccc2)cc1 ZINC000825449427 603239484 /nfs/dbraw/zinc/23/94/84/603239484.db2.gz QBNLBWYNWGQIMY-GFCCVEGCSA-N -1 0 329.425 3.502 20 0 EHADRM O=C([O-])NC[C@H]1CCC[C@H]1NC(=O)Nc1cc(Cl)ccc1Cl ZINC000832475884 603246189 /nfs/dbraw/zinc/24/61/89/603246189.db2.gz QXDKOARGVIGIPR-LDYMZIIASA-N -1 0 346.214 3.551 20 0 EHADRM Cc1c(Cl)cccc1NC(=O)NC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000829872548 603247851 /nfs/dbraw/zinc/24/78/51/603247851.db2.gz XELBAGJIBSWRFD-OAHLLOKOSA-N -1 0 347.802 3.779 20 0 EHADRM CN1CCN(C(=O)c2ccc(NC(=O)[O-])cc2Cl)c2ccccc21 ZINC000739733646 603248512 /nfs/dbraw/zinc/24/85/12/603248512.db2.gz GAICVGATHINVGZ-UHFFFAOYSA-N -1 0 345.786 3.527 20 0 EHADRM CN(C[C@H]1CCCN1C(=O)Nc1ccccc1C(C)(C)C)C(=O)[O-] ZINC000828210829 603251494 /nfs/dbraw/zinc/25/14/94/603251494.db2.gz AJCOTYMONRKMGJ-CYBMUJFWSA-N -1 0 333.432 3.590 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)N[C@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000823859412 603251531 /nfs/dbraw/zinc/25/15/31/603251531.db2.gz OLSBPLSECXCTNQ-OCCSQVGLSA-N -1 0 333.432 3.542 20 0 EHADRM CC(C)c1ccc([C@H](CNC(=O)[C@H](C)c2ccco2)NC(=O)[O-])cc1 ZINC000738879936 603258938 /nfs/dbraw/zinc/25/89/38/603258938.db2.gz YDPBTZXASUWTPW-CJNGLKHVSA-N -1 0 344.411 3.632 20 0 EHADRM Cc1ccc(C(=O)NCCCCc2ccccc2)cc1NC(=O)[O-] ZINC000830216832 603264808 /nfs/dbraw/zinc/26/48/08/603264808.db2.gz LNEJXOKRHLCREG-UHFFFAOYSA-N -1 0 326.396 3.838 20 0 EHADRM O=C([O-])NC[C@H]1CCCN1C(=O)Nc1ccccc1-c1cccs1 ZINC000832561153 603266348 /nfs/dbraw/zinc/26/63/48/603266348.db2.gz FRLQRXPOVXCBNL-GFCCVEGCSA-N -1 0 345.424 3.679 20 0 EHADRM O=C([O-])N[C@H](C(=O)Nc1cc(F)cc(F)c1)c1cccc(Cl)c1 ZINC000740532520 603269571 /nfs/dbraw/zinc/26/95/71/603269571.db2.gz NPZVDQJZNXWXIX-ZDUSSCGKSA-N -1 0 340.713 3.566 20 0 EHADRM CO[C@H](CNC(=O)c1ccc(NC(=O)[O-])cc1Cl)c1ccccc1 ZINC000739795329 603272799 /nfs/dbraw/zinc/27/27/99/603272799.db2.gz FCNYNZIMESYNMW-OAHLLOKOSA-N -1 0 348.786 3.547 20 0 EHADRM COc1cc(NC(=O)NCc2c(C)cccc2F)ccc1NC(=O)[O-] ZINC000829166902 603281933 /nfs/dbraw/zinc/28/19/33/603281933.db2.gz BBDROXIUYIVJSJ-UHFFFAOYSA-N -1 0 347.346 3.554 20 0 EHADRM Cc1cc(NC(=O)[C@H](NC(=O)[O-])c2ccccc2)ccc1OC(C)C ZINC000740086304 603285409 /nfs/dbraw/zinc/28/54/09/603285409.db2.gz KCXOBAVDVGRFSB-QGZVFWFLSA-N -1 0 342.395 3.730 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NCCOC2CCCCC2)c(Cl)c1 ZINC000740697948 603286012 /nfs/dbraw/zinc/28/60/12/603286012.db2.gz HLQQYVVQZZEZIJ-UHFFFAOYSA-N -1 0 340.807 3.509 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N[C@@H](Cc2ccccc2)C2CC2)ccc1F ZINC000740696069 603293801 /nfs/dbraw/zinc/29/38/01/603293801.db2.gz MZINFTUPZQNDEG-INIZCTEOSA-N -1 0 342.370 3.667 20 0 EHADRM C[C@H](CC(=O)N(C)[C@@H](C)c1ccc(Cl)c(Cl)c1)NC(=O)[O-] ZINC000824549686 603301897 /nfs/dbraw/zinc/30/18/97/603301897.db2.gz BYVBOJBHPKNIAH-BDAKNGLRSA-N -1 0 333.215 3.559 20 0 EHADRM CN(C(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F)C1CCC1 ZINC000827810319 603308919 /nfs/dbraw/zinc/30/89/19/603308919.db2.gz OWRVJXNMHXLMSQ-UHFFFAOYSA-N -1 0 331.294 3.812 20 0 EHADRM CCN(C(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000826969639 603309524 /nfs/dbraw/zinc/30/95/24/603309524.db2.gz HKAVUNXWTDSNCK-WMLDXEAASA-N -1 0 326.396 3.685 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CC[C@H](c3ccco3)C2)c(Cl)c1 ZINC000740700251 603310949 /nfs/dbraw/zinc/31/09/49/603310949.db2.gz UKSYTNGMENWOAF-JTQLQIEISA-N -1 0 334.759 3.653 20 0 EHADRM CS[C@H]1CC[C@H](NC(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])C1 ZINC000829711754 603313667 /nfs/dbraw/zinc/31/36/67/603313667.db2.gz WQTGRIBMXLPJPN-KBPBESRZSA-N -1 0 349.456 3.523 20 0 EHADRM Cc1ccc(C(=O)Nc2cnc(-c3ccccc3)nc2)cc1NC(=O)[O-] ZINC000830233604 603316369 /nfs/dbraw/zinc/31/63/69/603316369.db2.gz BSCBBUMKFMCYTH-UHFFFAOYSA-N -1 0 348.362 3.794 20 0 EHADRM Cc1cc(C)cc([C@H](C)NC(=O)Nc2cccc(CNC(=O)[O-])c2)c1 ZINC000740063848 603321071 /nfs/dbraw/zinc/32/10/71/603321071.db2.gz LIJYBIJPGBQSNW-AWEZNQCLSA-N -1 0 341.411 3.954 20 0 EHADRM CCSCC[C@@H](C)N(C)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000827503699 603325924 /nfs/dbraw/zinc/32/59/24/603325924.db2.gz KYYFHTDSGJNNFX-SNVBAGLBSA-N -1 0 343.424 3.911 20 0 EHADRM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000825773161 603327326 /nfs/dbraw/zinc/32/73/26/603327326.db2.gz YEDKWQKKVGHYDZ-MAUKXSAKSA-N -1 0 343.358 3.767 20 0 EHADRM CN(CC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1)C(=O)[O-] ZINC000739627618 603333052 /nfs/dbraw/zinc/33/30/52/603333052.db2.gz RRUSJEQOOKMJRA-UHFFFAOYSA-N -1 0 341.392 3.512 20 0 EHADRM CCc1ccc(CNC(=O)[C@@H](C)[C@H](NC(=O)[O-])c2ccccc2)s1 ZINC000827583508 603333929 /nfs/dbraw/zinc/33/39/29/603333929.db2.gz JYAAXOLTVFIGNQ-LRDDRELGSA-N -1 0 346.452 3.572 20 0 EHADRM C[C@H](NC(=O)Nc1ccccc1CN(C)C(=O)[O-])c1cccs1 ZINC000738976213 603337056 /nfs/dbraw/zinc/33/70/56/603337056.db2.gz FPZGJKVFWINJRA-NSHDSACASA-N -1 0 333.413 3.741 20 0 EHADRM CCOc1ccccc1NC(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000739509478 603337985 /nfs/dbraw/zinc/33/79/85/603337985.db2.gz HWBSNHMXFCRJEK-UHFFFAOYSA-N -1 0 343.383 3.839 20 0 EHADRM CN(Cc1ccccc1NC(=O)NC/C=C/c1ccccc1)C(=O)[O-] ZINC000739718744 603339781 /nfs/dbraw/zinc/33/97/81/603339781.db2.gz WKHRFQZLGGKGSN-JXMROGBWSA-N -1 0 339.395 3.631 20 0 EHADRM CCN(Cc1cccc(NC(=O)N2CCC[C@@H](C)CC2)c1)C(=O)[O-] ZINC000739441863 603344273 /nfs/dbraw/zinc/34/42/73/603344273.db2.gz JWBWATBDBBBWCV-CQSZACIVSA-N -1 0 333.432 3.840 20 0 EHADRM CC[C@H]1CCCCN1C(=O)Nc1ccccc1CN(CC)C(=O)[O-] ZINC000739266558 603349036 /nfs/dbraw/zinc/34/90/36/603349036.db2.gz GHRRFYYYPZKVSD-HNNXBMFYSA-N -1 0 333.432 3.983 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N1CCC(C)(C)CC1)C(=O)[O-] ZINC000739447637 603352980 /nfs/dbraw/zinc/35/29/80/603352980.db2.gz NUMFEKYCIGDCDI-UHFFFAOYSA-N -1 0 333.432 3.840 20 0 EHADRM C[C@@H]1CCC[C@H](N(C)C(=O)Nc2cccc(CN(C)C(=O)[O-])c2)C1 ZINC000739095781 603355663 /nfs/dbraw/zinc/35/56/63/603355663.db2.gz XRQBXASEABMJIZ-CJNGLKHVSA-N -1 0 333.432 3.839 20 0 EHADRM CCN(C(=O)[C@H](C)[C@@H](NC(=O)[O-])c1ccccc1)c1ccccc1C ZINC000826969083 603356093 /nfs/dbraw/zinc/35/60/93/603356093.db2.gz AGGCJYOTMCRGNJ-CRAIPNDOSA-N -1 0 340.423 3.993 20 0 EHADRM C[C@@H]1CN(C(=O)c2sccc2-c2ccccc2)CC[C@H]1NC(=O)[O-] ZINC000739177571 603357800 /nfs/dbraw/zinc/35/78/00/603357800.db2.gz VRSXOCSZGCRBMF-IUODEOHRSA-N -1 0 344.436 3.533 20 0 EHADRM Cc1ccc(C(=O)N(Cc2ccccn2)C(C)C)cc1NC(=O)[O-] ZINC000830187792 603369548 /nfs/dbraw/zinc/36/95/48/603369548.db2.gz SYNPNKFBUXMIGR-UHFFFAOYSA-N -1 0 327.384 3.531 20 0 EHADRM C[C@H](c1cccnc1)N(C)C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000825423803 603375727 /nfs/dbraw/zinc/37/57/27/603375727.db2.gz VHCSGEIMLYXDEM-QWHCGFSZSA-N -1 0 342.399 3.635 20 0 EHADRM Cc1cccc(NC(=S)NC[C@@H](NC(=O)[O-])c2ccccc2)c1C ZINC000740170473 603378990 /nfs/dbraw/zinc/37/89/90/603378990.db2.gz JBCIFGGNTPRXEI-MRXNPFEDSA-N -1 0 343.452 3.599 20 0 EHADRM O=C([O-])N[C@@H](CNC(=S)Nc1ccccc1Cl)c1ccccc1 ZINC000740537935 603379701 /nfs/dbraw/zinc/37/97/01/603379701.db2.gz VJROHXNQWCAYQX-AWEZNQCLSA-N -1 0 349.843 3.635 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)NC2(c3ccccc3)CC2)cc1 ZINC000825427015 603383900 /nfs/dbraw/zinc/38/39/00/603383900.db2.gz NMBVBVFKMCKPAI-ZDUSSCGKSA-N -1 0 339.395 3.826 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)NCCCc2ccccc2)cc1 ZINC000825434220 603384684 /nfs/dbraw/zinc/38/46/84/603384684.db2.gz OLXMGARFJYRBLO-CQSZACIVSA-N -1 0 341.411 3.770 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)NCCc2ccccc2F)cc1 ZINC000825434551 603389036 /nfs/dbraw/zinc/38/90/36/603389036.db2.gz VDADSZZXPNJWHT-GFCCVEGCSA-N -1 0 345.374 3.519 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)c2cc3cccc(F)c3o2)c1 ZINC000739916940 603397787 /nfs/dbraw/zinc/39/77/87/603397787.db2.gz BOTHGHZJVKSXOA-UHFFFAOYSA-N -1 0 344.298 3.923 20 0 EHADRM Cc1ccc(C(=O)N[C@H]2CCc3cc(F)ccc32)cc1NC(=O)[O-] ZINC000830211581 603400122 /nfs/dbraw/zinc/40/01/22/603400122.db2.gz UJLHQWFHTYWRKE-HNNXBMFYSA-N -1 0 328.343 3.641 20 0 EHADRM C[C@@H](c1nc(-c2ccsc2)no1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000825645394 603409086 /nfs/dbraw/zinc/40/90/86/603409086.db2.gz OASJGHCTOCBHQL-MFKMUULPSA-N -1 0 329.381 3.911 20 0 EHADRM O=C([O-])NC1(c2noc([C@H]3C[C@@H]3c3cc(F)ccc3F)n2)CCCC1 ZINC000832228530 603416362 /nfs/dbraw/zinc/41/63/62/603416362.db2.gz RGOZRNMWADEFQJ-PWSUYJOCSA-N -1 0 349.337 3.656 20 0 EHADRM CCOc1ccc(C(=O)N2CCCN(C(=O)[O-])c3ccccc32)cc1 ZINC000739493608 603430655 /nfs/dbraw/zinc/43/06/55/603430655.db2.gz FFKVOWRVKBXGLK-UHFFFAOYSA-N -1 0 340.379 3.620 20 0 EHADRM CCCCS[C@H](C)C(=O)N1CCCN(C(=O)[O-])c2ccccc21 ZINC000739341930 603431624 /nfs/dbraw/zinc/43/16/24/603431624.db2.gz PLADBTFTSGYAQB-CYBMUJFWSA-N -1 0 336.457 3.830 20 0 EHADRM C[C@H](C(=O)OCC1(C(F)(F)F)CC1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823731082 603453494 /nfs/dbraw/zinc/45/34/94/603453494.db2.gz IPDRGUARSRJGND-JQWIXIFHSA-N -1 0 345.317 3.517 20 0 EHADRM CSc1cccc(NC(=O)NCCc2ccc(NC(=O)[O-])cc2)c1 ZINC000738214628 603460939 /nfs/dbraw/zinc/46/09/39/603460939.db2.gz OSUMYZGLMCJWFR-UHFFFAOYSA-N -1 0 345.424 3.863 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N1CC[C@@H](C(C)C)C1)C(=O)[O-] ZINC000827181829 603472459 /nfs/dbraw/zinc/47/24/59/603472459.db2.gz AKEMPLKTOGJNEB-CQSZACIVSA-N -1 0 333.432 3.696 20 0 EHADRM CN(C(=O)c1cccc(Cl)c1Cl)C1CCC(NC(=O)[O-])CC1 ZINC000827945975 603473335 /nfs/dbraw/zinc/47/33/35/603473335.db2.gz WGDNPCKUZYPCJA-UHFFFAOYSA-N -1 0 345.226 3.644 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000738122775 603481413 /nfs/dbraw/zinc/48/14/13/603481413.db2.gz FXPVQTPJAPQNAD-LBPRGKRZSA-N -1 0 329.352 3.884 20 0 EHADRM CN(C(=O)c1ccc(C(C)(C)C)cc1)C1CCC(NC(=O)[O-])CC1 ZINC000827933338 603481848 /nfs/dbraw/zinc/48/18/48/603481848.db2.gz XBGDSDOBRPNHED-UHFFFAOYSA-N -1 0 332.444 3.635 20 0 EHADRM CN(C(=O)c1cc(Cl)cc(Cl)c1)C1CCC(NC(=O)[O-])CC1 ZINC000827927176 603482038 /nfs/dbraw/zinc/48/20/38/603482038.db2.gz MNRVKRYPTBSRAA-UHFFFAOYSA-N -1 0 345.226 3.644 20 0 EHADRM C[C@H](Oc1cccc(Cl)c1)C(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000825617110 603484122 /nfs/dbraw/zinc/48/41/22/603484122.db2.gz OBALOCJQFOSQGN-JTQLQIEISA-N -1 0 335.743 3.803 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)N1CCC(NC(=O)[O-])CC1)C(C)(C)C ZINC000830555026 603489307 /nfs/dbraw/zinc/48/93/07/603489307.db2.gz QEXWTDVMJJYOIT-INIZCTEOSA-N -1 0 347.459 3.524 20 0 EHADRM CCN(CC1CCN(Cc2csc(C(C)(C)C)n2)CC1)C(=O)[O-] ZINC000827100445 603509050 /nfs/dbraw/zinc/50/90/50/603509050.db2.gz ZEGORPVVEJCJEA-UHFFFAOYSA-N -1 0 339.505 3.653 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)[C@H](NC(=O)[O-])C(C)C ZINC000829867685 603518106 /nfs/dbraw/zinc/51/81/06/603518106.db2.gz RFZKJUOKFXMUGC-OAHLLOKOSA-N -1 0 336.432 3.541 20 0 EHADRM CCCCN(C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)[C@H](C)c1ccc(C)o1 ZINC000826825511 603529008 /nfs/dbraw/zinc/52/90/08/603529008.db2.gz FRFSSBVSRVPQPX-RBSFLKMASA-N -1 0 336.432 3.714 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N1[C@H](C)CCC[C@H]1C ZINC000829167148 603531040 /nfs/dbraw/zinc/53/10/40/603531040.db2.gz GQLXTTMMVXULJC-NXEZZACHSA-N -1 0 340.807 3.842 20 0 EHADRM Cc1ccc(C(=O)N2CCCc3cc(F)cc(F)c32)cc1NC(=O)[O-] ZINC000830192557 603534274 /nfs/dbraw/zinc/53/42/74/603534274.db2.gz NKPGBSFAUIVNFX-UHFFFAOYSA-N -1 0 346.333 3.956 20 0 EHADRM C[C@H]1COc2ccccc2N1C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000826093628 603546042 /nfs/dbraw/zinc/54/60/42/603546042.db2.gz ISQIIDXVHMUNFB-JTQLQIEISA-N -1 0 346.770 3.858 20 0 EHADRM CC(C)(C)Sc1ccc(NC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)cc1 ZINC000823839433 603554255 /nfs/dbraw/zinc/55/42/55/603554255.db2.gz WNHTYWZHKXDKON-WCQYABFASA-N -1 0 336.457 3.952 20 0 EHADRM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1ccc(NC(=O)[O-])cc1O ZINC000825778338 603558638 /nfs/dbraw/zinc/55/86/38/603558638.db2.gz LTHWKHSYSDIWMH-DOMZBBRYSA-N -1 0 340.379 3.500 20 0 EHADRM CC(C)(CNC(=O)[O-])c1nc(-c2c(Cl)cccc2Cl)no1 ZINC000823997352 603600470 /nfs/dbraw/zinc/60/04/70/603600470.db2.gz NJBUYOGHLXMCJT-UHFFFAOYSA-N -1 0 330.171 3.589 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000832253825 603633365 /nfs/dbraw/zinc/63/33/65/603633365.db2.gz HVIIQGUNJFYWHH-UAGQMJEPSA-N -1 0 348.418 3.610 20 0 EHADRM CC(C)C[C@H]1CCN(C(=O)CC[C@H](NC(=O)[O-])c2ccccc2)C1 ZINC000824223283 603642082 /nfs/dbraw/zinc/64/20/82/603642082.db2.gz FBQAFAGUQDBBLF-WBVHZDCISA-N -1 0 332.444 3.670 20 0 EHADRM Cc1ccc2c(c1)N(C(=O)c1ccc(F)c(NC(=O)[O-])c1)C[C@@H](C)O2 ZINC000830446249 603679415 /nfs/dbraw/zinc/67/94/15/603679415.db2.gz MYMCFONCRSQRFX-LLVKDONJSA-N -1 0 344.342 3.652 20 0 EHADRM Cc1cccc([C@H](NC(=O)N2CCC(NC(=O)[O-])CC2)C(C)(C)C)c1 ZINC000830470889 603683551 /nfs/dbraw/zinc/68/35/51/603683551.db2.gz BXKJNARYBNDBCD-INIZCTEOSA-N -1 0 347.459 3.524 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)o1 ZINC000832684963 603754134 /nfs/dbraw/zinc/75/41/34/603754134.db2.gz XWQBLAPWEJFTOX-OAHLLOKOSA-N -1 0 346.358 3.554 20 0 EHADRM CCN(CC1CCN(C(=O)c2ccc(C(C)C)cc2)CC1)C(=O)[O-] ZINC000827084193 603754702 /nfs/dbraw/zinc/75/47/02/603754702.db2.gz VMPMHJWCBWDTTG-UHFFFAOYSA-N -1 0 332.444 3.662 20 0 EHADRM CC(C)[C@H](NC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1)c1ccccc1Cl ZINC000824129527 603769012 /nfs/dbraw/zinc/76/90/12/603769012.db2.gz QHYVPIPKRJVHTO-HUBLWGQQSA-N -1 0 338.835 3.590 20 0 EHADRM Cc1cccc(NC(=O)[C@@H](CNC(=O)[O-])c2ccccc2)c1Cl ZINC000830511603 603770312 /nfs/dbraw/zinc/77/03/12/603770312.db2.gz JVOPNOUVKZAYPF-ZDUSSCGKSA-N -1 0 332.787 3.638 20 0 EHADRM CCN(Cc1ccccc1NC(=O)C[C@H](C)c1ccncc1)C(=O)[O-] ZINC000827182873 603806816 /nfs/dbraw/zinc/80/68/16/603806816.db2.gz UWMDSWAOPUMEAL-AWEZNQCLSA-N -1 0 341.411 3.714 20 0 EHADRM Cc1cccc(CC2CN(C(=O)Nc3ccc(NC(=O)[O-])cc3)C2)c1 ZINC000830493722 603807042 /nfs/dbraw/zinc/80/70/42/603807042.db2.gz TYOXGOLTGVLGPA-UHFFFAOYSA-N -1 0 339.395 3.791 20 0 EHADRM CCc1ccc(CC)c(NC(=O)N2CCC[C@H](CN(C)C(=O)[O-])C2)c1 ZINC000827582817 603814403 /nfs/dbraw/zinc/81/44/03/603814403.db2.gz AFSBGHDJBSQMHX-OAHLLOKOSA-N -1 0 347.459 3.665 20 0 EHADRM O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)N1CCC[C@H]1c1cccs1)C2 ZINC000831298389 603825239 /nfs/dbraw/zinc/82/52/39/603825239.db2.gz GFWGGWHVRLGPFF-DKUMPPAJSA-N -1 0 348.468 3.723 20 0 EHADRM O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)N1CCC[C@H]1c1ccccc1)C2 ZINC000831297849 603827682 /nfs/dbraw/zinc/82/76/82/603827682.db2.gz BMWIBYVAJNHMLI-ONQFOCNCSA-N -1 0 342.439 3.661 20 0 EHADRM CCc1ccccc1NC(=S)N(C)CC[C@@H](NC(=O)[O-])C(C)C ZINC000827604044 603830964 /nfs/dbraw/zinc/83/09/64/603830964.db2.gz DDPACOSEYLXTJV-CQSZACIVSA-N -1 0 337.489 3.560 20 0 EHADRM CC(C)Sc1c(Cl)cccc1NC(=O)CC1CN(C(=O)[O-])C1 ZINC000824432071 603833488 /nfs/dbraw/zinc/83/34/88/603833488.db2.gz XNGKTILZDVAWEM-UHFFFAOYSA-N -1 0 342.848 3.779 20 0 EHADRM CC(C)(C)C[C@@H]1CCCN1C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000823765871 603864992 /nfs/dbraw/zinc/86/49/92/603864992.db2.gz BXZJTGPYMCXFEO-UYTSQGDYSA-N -1 0 336.476 3.725 20 0 EHADRM C[C@@H](CCNC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccccc1 ZINC000824785117 603869863 /nfs/dbraw/zinc/86/98/63/603869863.db2.gz CZLAGLHXIDRDON-UNPWZGGWSA-N -1 0 344.455 3.608 20 0 EHADRM COc1cc(C)ccc1CNC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000829101531 603878457 /nfs/dbraw/zinc/87/84/57/603878457.db2.gz JEXXGVDUURXFTD-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM COC1CCC(OC(=O)c2ccc(NC(=O)[O-])cc2Cl)CC1 ZINC000828875103 603920175 /nfs/dbraw/zinc/92/01/75/603920175.db2.gz QMDSDDZOPZCNQD-UHFFFAOYSA-N -1 0 327.764 3.544 20 0 EHADRM CCN(Cc1ccccc1NC(=O)CCc1ccc(C)o1)C(=O)[O-] ZINC000827182086 603922208 /nfs/dbraw/zinc/92/22/08/603922208.db2.gz GASRFGBGXQWNLV-UHFFFAOYSA-N -1 0 330.384 3.659 20 0 EHADRM C[C@@H](C(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccc(Cl)s1 ZINC000823712860 603935660 /nfs/dbraw/zinc/93/56/60/603935660.db2.gz KVKWDJUXCGWTHK-SECBINFHSA-N -1 0 338.816 3.911 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)Nc2ccccc2-c2cccs2)C1 ZINC000832297216 603945927 /nfs/dbraw/zinc/94/59/27/603945927.db2.gz NVWHBFYBJAZVTE-NWDGAFQWSA-N -1 0 330.409 3.790 20 0 EHADRM CCC(CC)[C@H](NC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)c1cccs1 ZINC000826566803 603954815 /nfs/dbraw/zinc/95/48/15/603954815.db2.gz XPEVLMXPXYIDCA-NFAWXSAZSA-N -1 0 338.473 3.778 20 0 EHADRM C[C@@H]1CCN(C(=O)C2CCC(NC(=O)[O-])CC2)[C@@H]1c1cccc(F)c1 ZINC000825936718 603960842 /nfs/dbraw/zinc/96/08/42/603960842.db2.gz BRZQUOJYHMKGGR-MIOCFURKSA-N -1 0 348.418 3.562 20 0 EHADRM CCN(C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1)c1cccc2ccccc21 ZINC000826970114 603961765 /nfs/dbraw/zinc/96/17/65/603961765.db2.gz NPAJHKOYLMXDSF-LSDHHAIUSA-N -1 0 326.396 3.629 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000827508661 603973399 /nfs/dbraw/zinc/97/33/99/603973399.db2.gz PZKOFLJBIAQEKV-GXSJLCMTSA-N -1 0 342.848 3.827 20 0 EHADRM CSc1ccc(N(C)C(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc1 ZINC000829766937 604007343 /nfs/dbraw/zinc/00/73/43/604007343.db2.gz VFNIJQZAZOXURE-LQDVMPOASA-N -1 0 348.468 3.682 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(CNC(=O)[O-])cc2)[C@H](c2ccco2)C1 ZINC000825945187 604025494 /nfs/dbraw/zinc/02/54/94/604025494.db2.gz URHUTTHHHBCTOM-BBRMVZONSA-N -1 0 342.395 3.661 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)/C=C\SCc2ccco2)c1 ZINC000829469884 604045025 /nfs/dbraw/zinc/04/50/25/604045025.db2.gz YYILLARPMCPJBN-VURMDHGXSA-N -1 0 348.380 3.764 20 0 EHADRM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CC1(NC(=O)[O-])CCC1 ZINC000825624506 604082530 /nfs/dbraw/zinc/08/25/30/604082530.db2.gz XJCVCKZTKKMTGU-LBPRGKRZSA-N -1 0 330.384 3.533 20 0 EHADRM CC[C@]1(C)CCN(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])C1 ZINC000826645527 604084418 /nfs/dbraw/zinc/08/44/18/604084418.db2.gz RMBSGBVGCJJNRM-GOSISDBHSA-N -1 0 331.416 3.771 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)N3CCC[C@@H]4CCC[C@@H]43)ccc21 ZINC000832018842 604138607 /nfs/dbraw/zinc/13/86/07/604138607.db2.gz RKANYOYEWHQDKW-BBRMVZONSA-N -1 0 343.427 3.914 20 0 EHADRM Cc1cc2cc(C(=O)N3CCC[C@H]([C@H](C)NC(=O)[O-])C3)oc2cc1C ZINC000830144208 604183432 /nfs/dbraw/zinc/18/34/32/604183432.db2.gz TXDUWBLZLRLWCQ-KBPBESRZSA-N -1 0 344.411 3.558 20 0 EHADRM CO[C@@H](C)c1nc(CNc2ccc([C@H](C)NC(=O)[O-])cc2)cs1 ZINC000828835790 604201899 /nfs/dbraw/zinc/20/18/99/604201899.db2.gz ICPSQBFDGKJQTP-QWRGUYRKSA-N -1 0 335.429 3.791 20 0 EHADRM CO[C@H](C)c1nc(CNc2cc(NC(=O)[O-])ccc2F)cs1 ZINC000828837055 604201960 /nfs/dbraw/zinc/20/19/60/604201960.db2.gz UPZJGBGBZQTPFL-MRVPVSSYSA-N -1 0 325.365 3.692 20 0 EHADRM O=C([O-])N[C@H]1CC[C@@H](C(=O)Oc2ccccc2-c2ccccc2)C1 ZINC000832312926 604219928 /nfs/dbraw/zinc/21/99/28/604219928.db2.gz NYFVKWNIKQFGSS-CABCVRRESA-N -1 0 325.364 3.695 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)OC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000824819006 604239525 /nfs/dbraw/zinc/23/95/25/604239525.db2.gz XOMPQRRHYAABMI-SLHHOWHOSA-N -1 0 349.402 3.611 20 0 EHADRM C[C@@H](OC(=O)c1ccc(CNC(=O)[O-])o1)c1ccc(F)c(Cl)c1 ZINC000825602380 604242241 /nfs/dbraw/zinc/24/22/41/604242241.db2.gz KAKPGBSGSOALCP-MRVPVSSYSA-N -1 0 341.722 3.758 20 0 EHADRM C[C@]1(c2ccccc2)CCN(C(=O)Cc2ccc(NC(=O)[O-])cc2)C1 ZINC000825772122 604244951 /nfs/dbraw/zinc/24/49/51/604244951.db2.gz CIGXDBNJOREFPP-FQEVSTJZSA-N -1 0 338.407 3.509 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)Oc2ccccc2SC(F)(F)F)C1 ZINC000832312640 604247920 /nfs/dbraw/zinc/24/79/20/604247920.db2.gz INYXKTWERCMOQD-RKDXNWHRSA-N -1 0 349.330 3.640 20 0 EHADRM CC(C)c1ccsc1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736523947 604251266 /nfs/dbraw/zinc/25/12/66/604251266.db2.gz VWUPTFVVINKOHG-UHFFFAOYSA-N -1 0 332.425 3.934 20 0 EHADRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)c2c(Cl)cccc2Cl)C1 ZINC000825235919 604260820 /nfs/dbraw/zinc/26/08/20/604260820.db2.gz IVFOULVIUVQAMD-VHSXEESVSA-N -1 0 345.226 3.502 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000832845627 604277476 /nfs/dbraw/zinc/27/74/76/604277476.db2.gz KAAHMXKAPYZICZ-UHFFFAOYSA-N -1 0 328.412 3.557 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cc(-c3ccccc3)ns2)cc1F ZINC000833150927 604278142 /nfs/dbraw/zinc/27/81/42/604278142.db2.gz WFVDZEGBCAIQAF-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000832958948 604281803 /nfs/dbraw/zinc/28/18/03/604281803.db2.gz XBMWIQIXVPFLOP-UHFFFAOYSA-N -1 0 337.379 3.805 20 0 EHADRM CN(C(=O)c1ccc(-c2ccco2)s1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000830523735 604282868 /nfs/dbraw/zinc/28/28/68/604282868.db2.gz QDKGZKRFWFTONK-MRXNPFEDSA-N -1 0 341.388 3.906 20 0 EHADRM CCN(Cc1cccs1)C(=O)C[C@H](C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000827192676 604289202 /nfs/dbraw/zinc/28/92/02/604289202.db2.gz BGTGCFUOPFOJMA-KBPBESRZSA-N -1 0 338.473 3.513 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])c(F)c2)c2ccccc2N1 ZINC000826741800 604295839 /nfs/dbraw/zinc/29/58/39/604295839.db2.gz PIITVKUEPBCION-INIZCTEOSA-N -1 0 342.370 3.621 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCCC[C@@H]2c2ccco2)cc1F ZINC000833309485 604297305 /nfs/dbraw/zinc/29/73/05/604297305.db2.gz IAXFQFKOVMFMHU-OAHLLOKOSA-N -1 0 331.343 3.874 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1ccc(-c2ccco2)s1 ZINC000819623494 604300535 /nfs/dbraw/zinc/30/05/35/604300535.db2.gz CXSNMUSCKPEGBQ-UHFFFAOYSA-N -1 0 327.361 3.888 20 0 EHADRM CC(C)[C@H](c1ccccc1)N(C)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000826723844 604313929 /nfs/dbraw/zinc/31/39/29/604313929.db2.gz YLGXHAPTNVLCBM-QGZVFWFLSA-N -1 0 329.371 3.993 20 0 EHADRM Cc1cc(C)c(NC(=O)C[C@H](C)[C@@H]2CCCN(C(=O)[O-])C2)c(C)c1 ZINC000829990588 604314682 /nfs/dbraw/zinc/31/46/82/604314682.db2.gz BUBUOLWMWYQNPC-XJKSGUPXSA-N -1 0 332.444 3.967 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(CCc2cccc(F)c2)C2CC2)cc1F ZINC000833309590 604316014 /nfs/dbraw/zinc/31/60/14/604316014.db2.gz CGWRRGBFPPKNJD-UHFFFAOYSA-N -1 0 345.345 3.510 20 0 EHADRM C[C@H](CC(=O)N([C@H](C)c1ccco1)C1CC1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824558896 604317045 /nfs/dbraw/zinc/31/70/45/604317045.db2.gz YUZZRWAQLRXXKE-KFWWJZLASA-N -1 0 348.443 3.748 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1CC2(CCCC2)c2ccccc21 ZINC000832846235 604333405 /nfs/dbraw/zinc/33/34/05/604333405.db2.gz KEAXGHYBUCCHID-UHFFFAOYSA-N -1 0 338.407 3.802 20 0 EHADRM C[C@H](CC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])c1cccnc1 ZINC000827226735 604373376 /nfs/dbraw/zinc/37/33/76/604373376.db2.gz PPTIHHZCKKRPLU-RDTXWAMCSA-N -1 0 340.423 3.544 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1cccc2cccnc21)c1ccccc1 ZINC000826105850 604375071 /nfs/dbraw/zinc/37/50/71/604375071.db2.gz KZCRVPSUJBEIGX-SFHVURJKSA-N -1 0 348.402 3.817 20 0 EHADRM C[C@H](C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])c1cccs1 ZINC000825995776 604377367 /nfs/dbraw/zinc/37/73/67/604377367.db2.gz SDTHONKCFKHAFY-SWLSCSKDSA-N -1 0 331.437 3.820 20 0 EHADRM Cc1coc(-c2ccc(C)c(NC(=O)CCC(C)(C)NC(=O)[O-])c2)n1 ZINC000830650247 604378906 /nfs/dbraw/zinc/37/89/06/604378906.db2.gz CXVLLFJBRXVFHQ-UHFFFAOYSA-N -1 0 345.399 3.723 20 0 EHADRM O=C([O-])C1(NC(=O)c2ccc(F)cc2C(F)(F)F)CCCCCC1 ZINC000833128177 604380907 /nfs/dbraw/zinc/38/09/07/604380907.db2.gz AFAWJDXVXWVBMF-UHFFFAOYSA-N -1 0 347.308 3.752 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)c1ccc(F)cc1C(F)(F)F ZINC000833298989 604388547 /nfs/dbraw/zinc/38/85/47/604388547.db2.gz KJRCLBNEHBLWDD-UHFFFAOYSA-N -1 0 345.223 3.934 20 0 EHADRM Cc1ccc(F)c2c1CCCN2C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000832935005 604390303 /nfs/dbraw/zinc/39/03/03/604390303.db2.gz UCCXEFYGMHEDNW-UHFFFAOYSA-N -1 0 331.318 3.564 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC000832886006 604390711 /nfs/dbraw/zinc/39/07/11/604390711.db2.gz AAPWQDPDAXCFFH-UHFFFAOYSA-N -1 0 335.762 3.909 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1ccnc2ccccc21)c1ccccc1 ZINC000826105867 604392306 /nfs/dbraw/zinc/39/23/06/604392306.db2.gz LGAHQKOACBTWTG-GOSISDBHSA-N -1 0 348.402 3.817 20 0 EHADRM CC(C)OC[C@H](C(=O)[O-])N(C)Cc1sc2ccccc2c1Cl ZINC000827021922 604406347 /nfs/dbraw/zinc/40/63/47/604406347.db2.gz MXDWNAGXCXIJJQ-GFCCVEGCSA-N -1 0 341.860 3.865 20 0 EHADRM CCC(=O)c1ccc(OC(=O)c2cccc(NC(=O)[O-])c2)c(F)c1 ZINC000828573781 604415938 /nfs/dbraw/zinc/41/59/38/604415938.db2.gz BBDDFFURIHJFTB-UHFFFAOYSA-N -1 0 331.299 3.728 20 0 EHADRM Cc1cc(OCCCC(=O)Nc2cncc(C(=O)[O-])c2)ccc1Cl ZINC000832900848 604425562 /nfs/dbraw/zinc/42/55/62/604425562.db2.gz PTTGMFKFWMTNFW-UHFFFAOYSA-N -1 0 348.786 3.539 20 0 EHADRM C[C@H](COc1ccccc1)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000825008243 604426833 /nfs/dbraw/zinc/42/68/33/604426833.db2.gz HWWPISICSXWYPD-LLVKDONJSA-N -1 0 332.331 3.569 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000825612408 604439839 /nfs/dbraw/zinc/43/98/39/604439839.db2.gz SICXTSXEVHWBTM-CQSZACIVSA-N -1 0 348.443 3.863 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])o1 ZINC000832921594 604457530 /nfs/dbraw/zinc/45/75/30/604457530.db2.gz SVFZKBBQTRNXCW-BBRMVZONSA-N -1 0 344.411 3.800 20 0 EHADRM CN(Cc1csc(CCc2ccccc2)n1)C1(C(=O)[O-])CCCC1 ZINC000830869724 604467219 /nfs/dbraw/zinc/46/72/19/604467219.db2.gz GAESWOMORYALFB-UHFFFAOYSA-N -1 0 344.480 3.758 20 0 EHADRM CC(C)(C)SCCCC(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000833446751 604469472 /nfs/dbraw/zinc/46/94/72/604469472.db2.gz GNRVCCMRYJQXGO-CQSZACIVSA-N -1 0 328.405 3.807 20 0 EHADRM CC[C@H](NC(=O)Nc1cc(C(=O)[O-])cs1)c1ccc(OC)cc1 ZINC000828951335 604487401 /nfs/dbraw/zinc/48/74/01/604487401.db2.gz KQJBOTLXFVJQTH-ZDUSSCGKSA-N -1 0 334.397 3.728 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@H]1CC(=O)[O-])c1cc(Cl)ccc1Cl ZINC000827654092 604504544 /nfs/dbraw/zinc/50/45/44/604504544.db2.gz YGIYACQHDHKWIX-ONGXEEELSA-N -1 0 345.226 3.703 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@H]1CC(=O)[O-])c1csc2ccccc21 ZINC000827654069 604510111 /nfs/dbraw/zinc/51/01/11/604510111.db2.gz XUYAFROPZJZZFQ-RYUDHWBXSA-N -1 0 332.425 3.611 20 0 EHADRM Cc1ccccc1C[C@H]1CCCN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000832981125 604519014 /nfs/dbraw/zinc/51/90/14/604519014.db2.gz ZCXYFXWDHKXKGY-OAHLLOKOSA-N -1 0 344.436 3.994 20 0 EHADRM Cc1ccc(NC(=O)NCc2ccc([C@H](C)NC(=O)[O-])cc2)c(F)c1 ZINC000830390832 604525634 /nfs/dbraw/zinc/52/56/34/604525634.db2.gz XFUCGOADVLPHNM-LBPRGKRZSA-N -1 0 345.374 3.784 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)N1C[C@@H]2CCCC[C@@H]2C1)c1ccccc1 ZINC000826088848 604528421 /nfs/dbraw/zinc/52/84/21/604528421.db2.gz CZIWEOOXSIZITQ-IXDOHACOSA-N -1 0 344.455 3.670 20 0 EHADRM CN(C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])c1ccc(F)cc1 ZINC000830500270 604534765 /nfs/dbraw/zinc/53/47/65/604534765.db2.gz NLISYSZWYJPFRM-INIZCTEOSA-N -1 0 344.386 3.824 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2nc(Cl)ccc2Cl)oc1C(=O)[O-] ZINC000832874722 604542693 /nfs/dbraw/zinc/54/26/93/604542693.db2.gz PSGGGFKRYRVGLY-ZETCQYMHSA-N -1 0 344.150 3.906 20 0 EHADRM Cc1cncc(/C=C/C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)c1 ZINC000190737756 604544138 /nfs/dbraw/zinc/54/41/38/604544138.db2.gz YSNREIQVFATTRE-QPJJXVBHSA-N -1 0 340.379 3.527 20 0 EHADRM Cc1cc([C@H](C)OC(=O)COc2ccccc2Cl)oc1C(=O)[O-] ZINC000832871535 604544269 /nfs/dbraw/zinc/54/42/69/604544269.db2.gz IBKIFTLTIAQYBW-JTQLQIEISA-N -1 0 338.743 3.623 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2ccc(F)cc2Cl)oc1C(=O)[O-] ZINC000832873544 604544871 /nfs/dbraw/zinc/54/48/71/604544871.db2.gz DEWFNLZFUOSDGH-MRVPVSSYSA-N -1 0 326.707 3.997 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)CCC(=O)c2ccccc2)oc1C(=O)[O-] ZINC000832877944 604545061 /nfs/dbraw/zinc/54/50/61/604545061.db2.gz VSQAWRSJVZCLCA-GFCCVEGCSA-N -1 0 330.336 3.554 20 0 EHADRM Cc1cc([C@H](C)OC(=O)Cc2cccc3cccnc32)oc1C(=O)[O-] ZINC000832871756 604552307 /nfs/dbraw/zinc/55/23/07/604552307.db2.gz JRHUFSFFYNBATK-LBPRGKRZSA-N -1 0 339.347 3.681 20 0 EHADRM Cc1c(NC(=O)C2CCC(NC(=O)[O-])CC2)cccc1C(F)(F)F ZINC000829876713 604560437 /nfs/dbraw/zinc/56/04/37/604560437.db2.gz IAMBYWMJGDECHN-UHFFFAOYSA-N -1 0 344.333 3.779 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2ccc(-c3cnco3)cc2)oc1C(=O)[O-] ZINC000832874646 604570700 /nfs/dbraw/zinc/57/07/00/604570700.db2.gz KDQAIYQWSODKQY-NSHDSACASA-N -1 0 341.319 3.859 20 0 EHADRM Cc1cc([C@H](C)OC(=O)CCc2cc(F)ccc2F)oc1C(=O)[O-] ZINC000832871651 604573193 /nfs/dbraw/zinc/57/31/93/604573193.db2.gz ILWIJKBKHQQYJN-JTQLQIEISA-N -1 0 338.306 3.801 20 0 EHADRM Cc1cc([C@H](C)OC(=O)Cc2cccc(OC(C)C)c2)oc1C(=O)[O-] ZINC000832872391 604575389 /nfs/dbraw/zinc/57/53/89/604575389.db2.gz PBZYVEWRDYBJGL-ZDUSSCGKSA-N -1 0 346.379 3.920 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2cc3nc(C)ccc3o2)oc1C(=O)[O-] ZINC000832960036 604582055 /nfs/dbraw/zinc/58/20/55/604582055.db2.gz LPSYCXCVSVEBSQ-JTQLQIEISA-N -1 0 329.308 3.654 20 0 EHADRM CC1(C)CC[C@H](NC(=O)Nc2cccc(CSCC(=O)[O-])c2)C1 ZINC000833558297 604587741 /nfs/dbraw/zinc/58/77/41/604587741.db2.gz GVTDJZDAUKKDCK-AWEZNQCLSA-N -1 0 336.457 3.705 20 0 EHADRM CC(C)CC1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])CC1 ZINC000824224445 604588655 /nfs/dbraw/zinc/58/86/55/604588655.db2.gz LMFRYXCIEARTDT-ALOPSCKCSA-N -1 0 336.476 3.582 20 0 EHADRM C[C@@H]1CC[C@@H](C)N(C(=O)Nc2cccc(SCCC(=O)[O-])c2)C1 ZINC000833601987 604590317 /nfs/dbraw/zinc/59/03/17/604590317.db2.gz GKUCIBLEFVYZSG-CHWSQXEVSA-N -1 0 336.457 3.906 20 0 EHADRM Cc1cc([C@H](C)OC(=O)[C@@H]2SCCc3ccccc32)oc1C(=O)[O-] ZINC000832876993 604592333 /nfs/dbraw/zinc/59/23/33/604592333.db2.gz RYIOCJASDZAQNI-MEDUHNTESA-N -1 0 346.404 3.921 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)c1ccccc1Oc1ccccc1 ZINC000262921396 604597853 /nfs/dbraw/zinc/59/78/53/604597853.db2.gz KMJRMMGYVMVPFT-CQSZACIVSA-N -1 0 325.364 3.558 20 0 EHADRM Cc1cc([C@H](C)OC(=O)[C@H]2C[C@H]2Cc2ccccc2)oc1C(=O)[O-] ZINC000832871417 604598093 /nfs/dbraw/zinc/59/80/93/604598093.db2.gz BLKXLBSEEODQGY-CFVMTHIKSA-N -1 0 328.364 3.769 20 0 EHADRM CC1=CCN(C(=O)Nc2sc3c(c2C(=O)[O-])CCCCC3)CC1 ZINC000833578942 604598286 /nfs/dbraw/zinc/59/82/86/604598286.db2.gz MOUWIYPVNSQKCA-UHFFFAOYSA-N -1 0 334.441 3.899 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)/C=C\c2ccnc(Cl)c2)cc1 ZINC000830508633 604600361 /nfs/dbraw/zinc/60/03/61/604600361.db2.gz XQVVEOCBAKXPJT-UQCOIBPSSA-N -1 0 331.759 3.501 20 0 EHADRM C[C@H]1CCCN(C(=O)Nc2cccc(SCCC(=O)[O-])c2)CC1 ZINC000833614942 604602130 /nfs/dbraw/zinc/60/21/30/604602130.db2.gz XXMCLYNVKCNOOJ-ZDUSSCGKSA-N -1 0 336.457 3.907 20 0 EHADRM CC(C)c1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)cn1 ZINC000827117778 604610646 /nfs/dbraw/zinc/61/06/46/604610646.db2.gz JKXUDNZAYXBSIS-OAHLLOKOSA-N -1 0 333.771 3.841 20 0 EHADRM C/C(=C\c1ccccc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000761395162 604617058 /nfs/dbraw/zinc/61/70/58/604617058.db2.gz ZKNUZJHNAJPPAR-HVJHFUJKSA-N -1 0 343.810 3.555 20 0 EHADRM CCN(C(=O)NCc1ccc([C@H](C)NC(=O)[O-])cc1)[C@H](C)C(C)C ZINC000826980439 604620653 /nfs/dbraw/zinc/62/06/53/604620653.db2.gz VHNJKAXPYYIIQH-UONOGXRCSA-N -1 0 335.448 3.591 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccc2ccccc2c1 ZINC000827653502 604673125 /nfs/dbraw/zinc/67/31/25/604673125.db2.gz PDTAJDBZLVRGPT-CXAGYDPISA-N -1 0 326.396 3.550 20 0 EHADRM CN(Cc1cc(F)cc(F)c1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833693958 604675056 /nfs/dbraw/zinc/67/50/56/604675056.db2.gz CGNUEUVOQPMESE-HNNXBMFYSA-N -1 0 345.267 3.640 20 0 EHADRM CC(C)c1ccc([C@@H]2CCCN2C(=S)NCCCC(=O)[O-])cc1 ZINC000833509782 604679181 /nfs/dbraw/zinc/67/91/81/604679181.db2.gz FWNZPKZLNNRASL-INIZCTEOSA-N -1 0 334.485 3.686 20 0 EHADRM C[C@@H](c1c(F)cccc1F)N(C)C(=O)CCc1ccccc1C(=O)[O-] ZINC000833546721 604681156 /nfs/dbraw/zinc/68/11/56/604681156.db2.gz LHNZQOLNPIGKLC-LBPRGKRZSA-N -1 0 347.361 3.815 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)N1CCC[C@H]1CC(=O)[O-])C(C)(C)C ZINC000832981296 604688863 /nfs/dbraw/zinc/68/88/63/604688863.db2.gz FYXFAYLNVRRYQH-WMLDXEAASA-N -1 0 332.444 3.731 20 0 EHADRM CC(C)(C)OC(=O)c1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000833444450 604689234 /nfs/dbraw/zinc/68/92/34/604689234.db2.gz VKLZUTJSIHJQGO-UHFFFAOYSA-N -1 0 341.363 3.592 20 0 EHADRM CCOc1ccc([C@@H](C)Nc2cccc(C(=O)[O-])n2)cc1OCC ZINC000263522146 604709222 /nfs/dbraw/zinc/70/92/22/604709222.db2.gz RNSWDPXWJGXHOL-GFCCVEGCSA-N -1 0 330.384 3.750 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)Cc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000539676279 604714467 /nfs/dbraw/zinc/71/44/67/604714467.db2.gz NDSZFIMKXYCDDR-SFHVURJKSA-N -1 0 325.408 3.831 20 0 EHADRM CC(C)c1cccc(COC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])n1 ZINC000824469993 604734063 /nfs/dbraw/zinc/73/40/63/604734063.db2.gz JXJIXIDMKLRIIK-VHRNVKJDSA-N -1 0 346.427 3.559 20 0 EHADRM CC[C@@H](C)[C@H](C(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccccc1 ZINC000828700231 604734198 /nfs/dbraw/zinc/73/41/98/604734198.db2.gz ISNOABNWFXPSLE-WBMJQRKESA-N -1 0 346.452 3.929 20 0 EHADRM O=C([O-])CCc1csc(NC(=O)c2occc2-c2ccccc2)n1 ZINC000833243445 604737630 /nfs/dbraw/zinc/73/76/30/604737630.db2.gz GLZYSYRSAOXXHO-UHFFFAOYSA-N -1 0 342.376 3.673 20 0 EHADRM Cc1ccc(-n2c(S[C@@H](C)C(=O)[O-])nnc2-c2cccs2)cc1 ZINC000832910256 604751479 /nfs/dbraw/zinc/75/14/79/604751479.db2.gz WIEVBCZXYUYQIS-NSHDSACASA-N -1 0 345.449 3.869 20 0 EHADRM C[C@@H](Sc1nnc(Cc2ccccc2)n1C1CCCCC1)C(=O)[O-] ZINC000827928496 604752779 /nfs/dbraw/zinc/75/27/79/604752779.db2.gz HRFUKMHUHMTIDW-CYBMUJFWSA-N -1 0 345.468 3.939 20 0 EHADRM Cc1ccc(-c2nnc(S[C@@H](C)C(=O)[O-])n2-c2ccccc2)cc1 ZINC000832908503 604753730 /nfs/dbraw/zinc/75/37/30/604753730.db2.gz ZXJHRMHATLEUHT-ZDUSSCGKSA-N -1 0 339.420 3.808 20 0 EHADRM CCc1csc([C@H]2CCC[N@H+](Cc3ccc(C(=O)[O-])cc3F)C2)n1 ZINC000564738397 604753735 /nfs/dbraw/zinc/75/37/35/604753735.db2.gz ATMRGPXFDZRKBG-AWEZNQCLSA-N -1 0 348.443 3.922 20 0 EHADRM Cc1nc(C2(NCc3ccc(C(=O)[O-])cc3F)CCCCCC2)no1 ZINC000833755415 604763968 /nfs/dbraw/zinc/76/39/68/604763968.db2.gz MBLZUNGBHNAKQZ-UHFFFAOYSA-N -1 0 347.390 3.555 20 0 EHADRM CC(C)Nc1ccc(F)cc1NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000538575253 604766615 /nfs/dbraw/zinc/76/66/15/604766615.db2.gz BZXAGQMKMQFPFM-UHFFFAOYSA-N -1 0 330.359 3.525 20 0 EHADRM CCOc1cc(Cl)ccc1NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000540777378 604784647 /nfs/dbraw/zinc/78/46/47/604784647.db2.gz PJJUCIWUHLNRRP-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM CC(C)[C@@H](c1ccccc1)N(C)C(=O)Cc1ccccc1C(=O)[O-] ZINC000262195051 604785654 /nfs/dbraw/zinc/78/56/54/604785654.db2.gz NVSRATORHPYJTP-IBGZPJMESA-N -1 0 325.408 3.783 20 0 EHADRM CC(C)(C)OC(=O)c1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000833444427 604793823 /nfs/dbraw/zinc/79/38/23/604793823.db2.gz CSZYKHANDUFKMT-UHFFFAOYSA-N -1 0 341.363 3.592 20 0 EHADRM C[C@](O)(c1ccc(OCc2ccc(C(=O)[O-])cc2)cc1)C(F)(F)F ZINC000827780440 604796138 /nfs/dbraw/zinc/79/61/38/604796138.db2.gz LGVMKAILEFNTEB-INIZCTEOSA-N -1 0 340.297 3.734 20 0 EHADRM COc1cc(Cl)c(C)cc1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000832004900 604804265 /nfs/dbraw/zinc/80/42/65/604804265.db2.gz XDWSQDUWIBPFNK-UHFFFAOYSA-N -1 0 337.734 3.747 20 0 EHADRM CC(C)Oc1cccc([C@H](C)NC(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000827058686 604809633 /nfs/dbraw/zinc/80/96/33/604809633.db2.gz RNOSEVDCXPEWIQ-LBPRGKRZSA-N -1 0 345.370 3.802 20 0 EHADRM C[C@H](CSCc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000827581199 604809629 /nfs/dbraw/zinc/80/96/29/604809629.db2.gz JQYFNYHESFOXMK-CQSZACIVSA-N -1 0 343.448 3.571 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)c3ccc(C(=O)[O-])c(F)c3)cc2)co1 ZINC000832991042 604811178 /nfs/dbraw/zinc/81/11/78/604811178.db2.gz JKYBSMCHWRTFJD-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM CC(C)[C@@H](C(=O)N1CCc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000262166636 604812652 /nfs/dbraw/zinc/81/26/52/604812652.db2.gz LAECTWJZLUQEDZ-LJQANCHMSA-N -1 0 337.419 3.709 20 0 EHADRM CCC(CC)n1ccc(CNc2cc(OC)c(OC)cc2C(=O)[O-])n1 ZINC000828870345 604812946 /nfs/dbraw/zinc/81/29/46/604812946.db2.gz OJWOABCZVMQPTA-UHFFFAOYSA-N -1 0 347.415 3.572 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCCCc2cccc(Cl)c2)cc1F ZINC000833138900 604817799 /nfs/dbraw/zinc/81/77/99/604817799.db2.gz RIMNNMHXINEVON-UHFFFAOYSA-N -1 0 335.762 3.540 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2CCCCc3ccccc32)cc1F ZINC000833130044 604818120 /nfs/dbraw/zinc/81/81/20/604818120.db2.gz GXJNZQPBYMBKQU-KRWDZBQOSA-N -1 0 327.355 3.721 20 0 EHADRM C[C@H](OC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1c(F)cc(F)cc1F ZINC000827828360 604820643 /nfs/dbraw/zinc/82/06/43/604820643.db2.gz ZMDKHNZHGGFSLU-LPEHRKFASA-N -1 0 330.302 3.599 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN(C(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC000828128068 604821249 /nfs/dbraw/zinc/82/12/49/604821249.db2.gz NJGUGPVXJZLJBB-HXUWFJFHSA-N -1 0 341.382 3.718 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)c1nc2ccccc2s1 ZINC000827694864 604822955 /nfs/dbraw/zinc/82/29/55/604822955.db2.gz KBWNDFHSGXUZQD-VIFPVBQESA-N -1 0 344.367 3.625 20 0 EHADRM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828185578 604823924 /nfs/dbraw/zinc/82/39/24/604823924.db2.gz YZRVHGPCCFUDHV-SMDDNHRTSA-N -1 0 345.345 3.681 20 0 EHADRM Cc1ccc2cc(C(=O)NCCc3ccc(NC(=O)[O-])cc3)ccc2n1 ZINC000832961732 604827480 /nfs/dbraw/zinc/82/74/80/604827480.db2.gz AQFJSYAVEUWKTD-UHFFFAOYSA-N -1 0 349.390 3.606 20 0 EHADRM C[C@@H](CSCc1ccccc1)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000827580820 604827521 /nfs/dbraw/zinc/82/75/21/604827521.db2.gz HCGVVXJJAAYLAX-HNNXBMFYSA-N -1 0 349.496 3.659 20 0 EHADRM CC1(C)CN(C(=O)Cc2cccc(C(=O)[O-])c2)c2ccccc2S1 ZINC000833559697 604838538 /nfs/dbraw/zinc/83/85/38/604838538.db2.gz DPBWNBLMXZAGRV-UHFFFAOYSA-N -1 0 341.432 3.845 20 0 EHADRM CCc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)cc1 ZINC000237145385 604844944 /nfs/dbraw/zinc/84/49/44/604844944.db2.gz PXVJXJCGOAJAEW-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM CCS[C@@H](C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)C(C)C ZINC000262185839 604846906 /nfs/dbraw/zinc/84/69/06/604846906.db2.gz YEUTVXSXXNOXSH-CQSZACIVSA-N -1 0 345.848 3.520 20 0 EHADRM O=C([O-])c1ccc(C(=O)OCc2csc(C3CCCC3)n2)cc1F ZINC000833352884 604857296 /nfs/dbraw/zinc/85/72/96/604857296.db2.gz CIIIISRKGRRZBK-UHFFFAOYSA-N -1 0 349.383 3.995 20 0 EHADRM Cc1ccc(Cl)c(NC(=O)N2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)c1 ZINC000830324843 604863890 /nfs/dbraw/zinc/86/38/90/604863890.db2.gz VNOUFOHULUURSR-NEPJUHHUSA-N -1 0 339.823 3.548 20 0 EHADRM Cc1ccc(Cl)c(NC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1 ZINC000830322983 604870055 /nfs/dbraw/zinc/87/00/55/604870055.db2.gz AFGROBDYURLKOB-YHWZYXNKSA-N -1 0 336.819 3.898 20 0 EHADRM C[C@@H]1CC[C@H](CC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)C1 ZINC000833604698 604872661 /nfs/dbraw/zinc/87/26/61/604872661.db2.gz TZNGZRSADOCMEH-FTGAXOIBSA-N -1 0 327.783 3.547 20 0 EHADRM CC1=C(C(=O)Nc2ncc(Cc3cccc(C(=O)[O-])c3)s2)CCC1 ZINC000833576008 604876830 /nfs/dbraw/zinc/87/68/30/604876830.db2.gz PYFCAVHALMMKRU-UHFFFAOYSA-N -1 0 342.420 3.871 20 0 EHADRM C[C@H](CC(=O)N1Cc2ccccc2[C@@H]1C)C1CCN(C(=O)[O-])CC1 ZINC000824604434 604881744 /nfs/dbraw/zinc/88/17/44/604881744.db2.gz DJKKGRXXLBCYLM-KGLIPLIRSA-N -1 0 330.428 3.506 20 0 EHADRM CCc1ccc(CCC(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000013225090 604884710 /nfs/dbraw/zinc/88/47/10/604884710.db2.gz BHGRVHOVRSAVBQ-GOSISDBHSA-N -1 0 325.408 3.514 20 0 EHADRM C/C(=C/C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1cccc(F)c1 ZINC000777401369 604885913 /nfs/dbraw/zinc/88/59/13/604885913.db2.gz SZHYLRXOUSYBIH-WVUXNXBLSA-N -1 0 333.403 3.578 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)/C=C/c2ccc(Cl)s2)C1 ZINC000317087151 604886613 /nfs/dbraw/zinc/88/66/13/604886613.db2.gz AHMMLWKELGKODE-IOCXFXADSA-N -1 0 341.860 3.764 20 0 EHADRM O=C([O-])[C@@H](OC(=O)[C@@H]1CCCc2sccc21)c1ccccc1F ZINC000833351194 604888549 /nfs/dbraw/zinc/88/85/49/604888549.db2.gz OBWYALPDTXAEFZ-ABAIWWIYSA-N -1 0 334.368 3.676 20 0 EHADRM Cc1ccc(NC(=O)NCCc2cc3ccccc3[nH]2)cc1C(=O)[O-] ZINC000832946581 604898355 /nfs/dbraw/zinc/89/83/55/604898355.db2.gz GPANXIVJKSCNJN-UHFFFAOYSA-N -1 0 337.379 3.539 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cccc(-c2ccoc2)c1)c1cccs1 ZINC000683298839 604904225 /nfs/dbraw/zinc/90/42/25/604904225.db2.gz KCIYOFPTWHFSPK-HNNXBMFYSA-N -1 0 341.388 3.954 20 0 EHADRM CCC(=O)c1cccc(NC(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000818126291 604905934 /nfs/dbraw/zinc/90/59/34/604905934.db2.gz ZFQQWKRRCWSPIW-UHFFFAOYSA-N -1 0 326.352 3.550 20 0 EHADRM C[C@H]1CC(=O)CC[C@@H]1C(=O)OCc1c2ccccc2sc1C(=O)[O-] ZINC000833593165 604911005 /nfs/dbraw/zinc/91/10/05/604911005.db2.gz PHKKPLIUASBYRL-JQWIXIFHSA-N -1 0 346.404 3.648 20 0 EHADRM Cc1ccc(-c2nc(Cn3nc(C)c([C@@H](C)C(=O)[O-])c3C)cs2)o1 ZINC000833746938 604927012 /nfs/dbraw/zinc/92/70/12/604927012.db2.gz VRRAJCNDLUPMFV-SNVBAGLBSA-N -1 0 345.424 3.761 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)c2ccc(C(=O)[O-])c(F)c2)c(C)c1 ZINC000832922781 604929811 /nfs/dbraw/zinc/92/98/11/604929811.db2.gz ZXVRMWOEQIDRAD-ZDUSSCGKSA-N -1 0 329.371 3.974 20 0 EHADRM CCCC1(CNC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)CC1 ZINC000829244903 604930185 /nfs/dbraw/zinc/93/01/85/604930185.db2.gz DGNLHFTWCWEDRQ-UHFFFAOYSA-N -1 0 340.807 3.505 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1cccc(Cl)c1 ZINC000237947567 604930896 /nfs/dbraw/zinc/93/08/96/604930896.db2.gz BWDLOSFOSXJAOR-UHFFFAOYSA-N -1 0 331.799 3.847 20 0 EHADRM CC1=C(C(=O)[O-])[C@@H](c2c(Cl)oc3ccccc32)NC(=O)N1C1CC1 ZINC000833576230 604943919 /nfs/dbraw/zinc/94/39/19/604943919.db2.gz WJEGXKLTDLYVQV-AWEZNQCLSA-N -1 0 346.770 3.674 20 0 EHADRM CCC[C@H](C)[C@@H]1CCCN1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000829207986 604944584 /nfs/dbraw/zinc/94/45/84/604944584.db2.gz HERGDLVFARIDAP-BBRMVZONSA-N -1 0 334.416 3.583 20 0 EHADRM CC(C)CC[C@H](NC(=O)[C@H](C)NC(=O)[O-])c1ccc(Cl)cc1 ZINC000833480357 604946323 /nfs/dbraw/zinc/94/63/23/604946323.db2.gz HPFZTAJSYLNDHA-FZMZJTMJSA-N -1 0 326.824 3.590 20 0 EHADRM Cc1ccc(-c2cc(NC(=O)c3ccc(C(=O)[O-])c(F)c3)n[nH]2)s1 ZINC000832906289 604966278 /nfs/dbraw/zinc/96/62/78/604966278.db2.gz WBQXFOHCWPYMKC-UHFFFAOYSA-N -1 0 345.355 3.536 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)Nc2nc(CCC(=O)[O-])cs2)c1C ZINC000832966523 604992199 /nfs/dbraw/zinc/99/21/99/604992199.db2.gz PXOVCIPCJMIDSF-GFCCVEGCSA-N -1 0 347.440 3.660 20 0 EHADRM O=C([O-])[C@H](Nc1cccc(NC(=O)c2ccccc2)c1)c1cccnc1 ZINC000833159957 604993619 /nfs/dbraw/zinc/99/36/19/604993619.db2.gz OFUGCXKPDROUSG-GOSISDBHSA-N -1 0 347.374 3.572 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C/C=C/c2cccc(F)c2)C1 ZINC000679102640 604995365 /nfs/dbraw/zinc/99/53/65/604995365.db2.gz CNXMOZFXADHVNK-NFBGWVBBSA-N -1 0 333.403 3.578 20 0 EHADRM CCc1nc(NC(=O)C[C@H](C)c2ccccc2OC)sc1C(=O)[O-] ZINC000833676137 604996057 /nfs/dbraw/zinc/99/60/57/604996057.db2.gz KPIAQKZYZCSCHI-JTQLQIEISA-N -1 0 348.424 3.545 20 0 EHADRM CCc1nc(NC(=O)/C=C\c2ccc(Cl)s2)sc1C(=O)[O-] ZINC000833675567 604996796 /nfs/dbraw/zinc/99/67/96/604996796.db2.gz FNWXOBKSODRLLQ-XQRVVYSFSA-N -1 0 342.829 3.771 20 0 EHADRM CC(C)(C)OCc1ccccc1C(=O)OCc1ccoc1C(=O)[O-] ZINC000833446020 605019710 /nfs/dbraw/zinc/01/97/10/605019710.db2.gz VBHLGGFWPBCEJM-UHFFFAOYSA-N -1 0 332.352 3.650 20 0 EHADRM CC1(C)c2ccccc2CCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000833564175 605023943 /nfs/dbraw/zinc/02/39/43/605023943.db2.gz QPFHKHIWTJWPFW-UHFFFAOYSA-N -1 0 337.419 3.637 20 0 EHADRM C[C@H](c1nc(-c2cccc(C(=O)[O-])c2)no1)c1c(F)cccc1F ZINC000833549922 605025864 /nfs/dbraw/zinc/02/58/64/605025864.db2.gz INIBKXYGEITHHF-VIFPVBQESA-N -1 0 330.290 3.865 20 0 EHADRM CCCN(C(=O)c1cncc(C(=O)[O-])c1)[C@@H](CC)c1ccccc1 ZINC000833651469 605029861 /nfs/dbraw/zinc/02/98/61/605029861.db2.gz LNYBYPNMVKLWKT-KRWDZBQOSA-N -1 0 326.396 3.783 20 0 EHADRM C[C@H](C(=O)O[C@H](C(=O)[O-])c1ccccc1F)c1c(F)cccc1F ZINC000833406270 605035937 /nfs/dbraw/zinc/03/59/37/605035937.db2.gz MHMBISLJPZOGIT-VFZGTOFNSA-N -1 0 338.281 3.577 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)OCc1ccccc1CC(=O)[O-] ZINC000833544899 605054940 /nfs/dbraw/zinc/05/49/40/605054940.db2.gz BIWUWUGWVZZXQU-AWEZNQCLSA-N -1 0 344.432 3.679 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000263266673 605063127 /nfs/dbraw/zinc/06/31/27/605063127.db2.gz NVBHKBPXDWJIMV-UHFFFAOYSA-N -1 0 331.334 3.507 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cccc(F)c2)ccc1Br ZINC000132317556 605063702 /nfs/dbraw/zinc/06/37/02/605063702.db2.gz NLMJMGOFEVEKHX-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CC[C@](F)(C(=O)[O-])C1 ZINC000833551295 605071245 /nfs/dbraw/zinc/07/12/45/605071245.db2.gz SAAUPXCUJILSAB-QLJPJBMISA-N -1 0 338.766 3.555 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000833515473 605086833 /nfs/dbraw/zinc/08/68/33/605086833.db2.gz RRFFVFXNSQUXQS-HNNXBMFYSA-N -1 0 326.392 3.878 20 0 EHADRM CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)C1CCC(C(=O)[O-])CC1 ZINC000194434376 605089053 /nfs/dbraw/zinc/08/90/53/605089053.db2.gz RNLVOIZEBSSDIY-QQFBHYJXSA-N -1 0 347.455 3.680 20 0 EHADRM CC(C)C[C@H](C)NC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000833475164 605100753 /nfs/dbraw/zinc/10/07/53/605100753.db2.gz MPEIBEHTRKFCRQ-ZDUSSCGKSA-N -1 0 338.473 3.951 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1cccc2oc(C(F)(F)F)nc21 ZINC000833454209 605110897 /nfs/dbraw/zinc/11/08/97/605110897.db2.gz GVSREFXIDRQEGE-UHFFFAOYSA-N -1 0 344.289 3.676 20 0 EHADRM CCc1[nH]c(C(=O)Nc2c(C)cc(N(C)C)cc2C)c(C)c1C(=O)[O-] ZINC000833666780 605115936 /nfs/dbraw/zinc/11/59/36/605115936.db2.gz AFLLVJFJOPGELN-UHFFFAOYSA-N -1 0 343.427 3.519 20 0 EHADRM Cc1cccc(OCc2nnc(SCc3ccc(C(=O)[O-])o3)o2)c1 ZINC000833753123 605120366 /nfs/dbraw/zinc/12/03/66/605120366.db2.gz FXRKUZJOPBXKDG-UHFFFAOYSA-N -1 0 346.364 3.541 20 0 EHADRM C[C@@H]1CC[C@H](NC(=O)NCCCCCCC(=O)[O-])c2ccccc21 ZINC000833603612 605123721 /nfs/dbraw/zinc/12/37/21/605123721.db2.gz LYBIGOCDSQQJAZ-PBHICJAKSA-N -1 0 332.444 3.959 20 0 EHADRM CC1(C)CCc2ccccc2[C@@H]1NC(=O)N1CCC(CC(=O)[O-])CC1 ZINC000833561210 605126809 /nfs/dbraw/zinc/12/68/09/605126809.db2.gz UTOGETLNKDDNQO-SFHVURJKSA-N -1 0 344.455 3.596 20 0 EHADRM CC1(NC(=O)Nc2ccc(Br)c(C(=O)[O-])c2)CCCC1 ZINC000132571529 605129112 /nfs/dbraw/zinc/12/91/12/605129112.db2.gz SYQURXLYRPOJPY-UHFFFAOYSA-N -1 0 341.205 3.602 20 0 EHADRM O=C([O-])c1ccc(OC(=O)c2coc(-c3ccccc3Cl)n2)cc1 ZINC000833783293 605129667 /nfs/dbraw/zinc/12/96/67/605129667.db2.gz XNOLLSRPTMGCEI-UHFFFAOYSA-N -1 0 343.722 3.912 20 0 EHADRM C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000833547964 605134526 /nfs/dbraw/zinc/13/45/26/605134526.db2.gz HCNWUHJFNUCSIT-JTQLQIEISA-N -1 0 348.786 3.969 20 0 EHADRM C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000833548307 605138812 /nfs/dbraw/zinc/13/88/12/605138812.db2.gz MYAMLMXZFLFBHL-JTQLQIEISA-N -1 0 334.322 3.888 20 0 EHADRM C[C@H](CC(=O)N1CCc2cc(C(=O)[O-])ccc21)c1ccc(F)cc1F ZINC000761423065 605140336 /nfs/dbraw/zinc/14/03/36/605140336.db2.gz XXSWASOBOYWAEL-LLVKDONJSA-N -1 0 345.345 3.746 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])CCC1=O ZINC000833588403 605150439 /nfs/dbraw/zinc/15/04/39/605150439.db2.gz HPHVDCBRZJISGU-ZJUUUORDSA-N -1 0 337.441 3.688 20 0 EHADRM C[C@@H]1CCC[C@@H](OCCCCCC(=O)N2CCCC[C@H]2C(=O)[O-])C1 ZINC000833608132 605152446 /nfs/dbraw/zinc/15/24/46/605152446.db2.gz MHVXCFHQBIDZCW-ZACQAIPSSA-N -1 0 339.476 3.608 20 0 EHADRM CC(C)c1cn(CN2CC[C@H](C(=O)[O-])c3ccccc32)c(=S)n1C ZINC000833511166 605153121 /nfs/dbraw/zinc/15/31/21/605153121.db2.gz DLCCIPHVKXJUSQ-AWEZNQCLSA-N -1 0 345.468 3.715 20 0 EHADRM C[C@H]1CSc2ccccc2N(C(=O)C2CCC(C(=O)[O-])CC2)C1 ZINC000833632628 605153431 /nfs/dbraw/zinc/15/34/31/605153431.db2.gz NMYRDNXRAZNERS-IYXRBSQSSA-N -1 0 333.453 3.652 20 0 EHADRM CCN(c1ccc(NC(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1)C(C)C ZINC000833654878 605165467 /nfs/dbraw/zinc/16/54/67/605165467.db2.gz KIMLYWMXPUGYHD-UHFFFAOYSA-N -1 0 344.415 3.602 20 0 EHADRM C[C@@H](Nc1cncc(C(=O)[O-])n1)c1cc(F)c(Cl)cc1Cl ZINC000833524134 605167161 /nfs/dbraw/zinc/16/71/61/605167161.db2.gz AWFGSUGDSQWVDT-ZCFIWIBFSA-N -1 0 330.146 3.794 20 0 EHADRM CC(C)CN(Cc1ccccc1F)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000833489516 605177442 /nfs/dbraw/zinc/17/74/42/605177442.db2.gz RMLQPQKVOLSFJR-UHFFFAOYSA-N -1 0 345.374 3.609 20 0 EHADRM CC(C)(C)SCCCC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000833447414 605184748 /nfs/dbraw/zinc/18/47/48/605184748.db2.gz QVBOOJFPHSCNTN-MCIONIFRSA-N -1 0 327.490 3.543 20 0 EHADRM CCc1ccc(C(=O)CCC(=O)Nc2scc(C(=O)[O-])c2C)cc1 ZINC000833669919 605186066 /nfs/dbraw/zinc/18/60/66/605186066.db2.gz LMDQLDBUJXLVKX-UHFFFAOYSA-N -1 0 345.420 3.919 20 0 EHADRM Cc1ccc(S(=O)(=O)Oc2ccc(C(C)C)cc2)c(C(=O)[O-])c1 ZINC000833751207 605192872 /nfs/dbraw/zinc/19/28/72/605192872.db2.gz RDEPQPWIFQZBAI-UHFFFAOYSA-N -1 0 334.393 3.584 20 0 EHADRM CC(C)(CCC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000621557571 605205037 /nfs/dbraw/zinc/20/50/37/605205037.db2.gz KGUCOGVYQIPUSZ-UHFFFAOYSA-N -1 0 337.419 3.985 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2cc(-c3cccc(Cl)c3)[nH]n2)CC1 ZINC000833772326 605214397 /nfs/dbraw/zinc/21/43/97/605214397.db2.gz SIEBRBPWSQIJOO-UHFFFAOYSA-N -1 0 347.802 3.560 20 0 EHADRM CC[C@H](C)Oc1cc(C(=O)N(CC)c2ccccc2C(=O)[O-])ccn1 ZINC000833640757 605214706 /nfs/dbraw/zinc/21/47/06/605214706.db2.gz CWSQYPQAHJVOMD-ZDUSSCGKSA-N -1 0 342.395 3.624 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)[C@@H]2CCCC[C@@H]21 ZINC000833624765 605227658 /nfs/dbraw/zinc/22/76/58/605227658.db2.gz UZEZHAQKVXAOFW-KBRIMQKVSA-N -1 0 330.428 3.746 20 0 EHADRM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)Cc2ccccc2C(=O)[O-])C1 ZINC000263285683 605251594 /nfs/dbraw/zinc/25/15/94/605251594.db2.gz PNADKULBBNHFDV-SCLBCKFNSA-N -1 0 341.382 3.676 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000683303227 605261251 /nfs/dbraw/zinc/26/12/51/605261251.db2.gz QVBWCTMKEYJHIN-LBPRGKRZSA-N -1 0 344.238 3.988 20 0 EHADRM CC(C)OC(=O)CS[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000833503238 605262982 /nfs/dbraw/zinc/26/29/82/605262982.db2.gz ZLXHDDSJCHXRRH-GFCCVEGCSA-N -1 0 336.331 3.516 20 0 EHADRM O=C([O-])N(CC(=O)N1CCC[C@H]1c1cccc(F)c1)c1ccccc1 ZINC000831821568 605271337 /nfs/dbraw/zinc/27/13/37/605271337.db2.gz VZJNBBSWPKZXQY-KRWDZBQOSA-N -1 0 342.370 3.674 20 0 EHADRM CC(C)[C@H]1C[C@@H](CC(=O)Nc2ccc(NC(=O)[O-])c(F)c2)CCO1 ZINC000833472498 605275248 /nfs/dbraw/zinc/27/52/48/605275248.db2.gz STBRQVHKBOTGRI-XHDPSFHLSA-N -1 0 338.379 3.695 20 0 EHADRM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833573288 605283943 /nfs/dbraw/zinc/28/39/43/605283943.db2.gz HGPNFPRLYZIZMR-YJBOKZPZSA-N -1 0 343.358 3.767 20 0 EHADRM CCC(CC)[C@@H]1C[C@@H](NC(=O)Nc2cc(C(=O)[O-])ccc2C)CCO1 ZINC000833642806 605302432 /nfs/dbraw/zinc/30/24/32/605302432.db2.gz UAQJZAZPALCYAW-RDJZCZTQSA-N -1 0 348.443 3.799 20 0 EHADRM CCc1oc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)cc1C ZINC000431879540 605302790 /nfs/dbraw/zinc/30/27/90/605302790.db2.gz AIOVVMXVGIBJGO-GOSISDBHSA-N -1 0 337.375 3.859 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1)c1cccnc1 ZINC000833514170 605303146 /nfs/dbraw/zinc/30/31/46/605303146.db2.gz PODGQZACJXQJOI-VBKZILBWSA-N -1 0 348.402 3.671 20 0 EHADRM CC[C@@H](C)Oc1cc(C(=O)OCc2ccc(NC(=O)[O-])cc2)ccn1 ZINC000833640832 605304341 /nfs/dbraw/zinc/30/43/41/605304341.db2.gz GHNZWTJHRWECPX-GFCCVEGCSA-N -1 0 344.367 3.706 20 0 EHADRM CC(C)=C(C)C(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000833462615 605308838 /nfs/dbraw/zinc/30/88/38/605308838.db2.gz FYROCMCLZVYMMX-CYBMUJFWSA-N -1 0 329.318 3.694 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])c2ccc(C(F)(F)F)cc2)C1 ZINC000833600933 605309849 /nfs/dbraw/zinc/30/98/49/605309849.db2.gz IAGHLYPOVDXKPE-QKCSRTOESA-N -1 0 343.345 3.774 20 0 EHADRM Cc1cc(C(=O)Nc2cc(-c3ccccc3)on2)ccc1NC(=O)[O-] ZINC000829962018 605318792 /nfs/dbraw/zinc/31/87/92/605318792.db2.gz ROJQHGDVPAPMOT-UHFFFAOYSA-N -1 0 337.335 3.992 20 0 EHADRM C[C@H]1CCC[C@H]1C(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC000833607803 605341225 /nfs/dbraw/zinc/34/12/25/605341225.db2.gz HBLLZCMEGSBBQN-WCQYABFASA-N -1 0 344.436 3.812 20 0 EHADRM CC(C)(C)c1nc(NC(=O)c2cccnc2C2CC2)sc1C(=O)[O-] ZINC000833450464 605355015 /nfs/dbraw/zinc/35/50/15/605355015.db2.gz CYJLYDQQJNBRSD-UHFFFAOYSA-N -1 0 345.424 3.664 20 0 EHADRM CC(C)C[C@H](NC(=O)N1CC[C@H](NC(=O)[O-])C[C@H]1C)c1ccccc1 ZINC000824203707 605370007 /nfs/dbraw/zinc/37/00/07/605370007.db2.gz KXYJDCOPKOWCAK-PVAVHDDUSA-N -1 0 347.459 3.604 20 0 EHADRM CC(C)C[C@H](NC(=O)N1CC[C@H](NC(=O)[O-])C[C@@H]1C)c1ccccc1 ZINC000824203712 605370477 /nfs/dbraw/zinc/37/04/77/605370477.db2.gz KXYJDCOPKOWCAK-XIRDDKMYSA-N -1 0 347.459 3.604 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N2CC=C(C(F)(F)F)CC2)cc1 ZINC000834263773 605379267 /nfs/dbraw/zinc/37/92/67/605379267.db2.gz XNQJBPRYCOKBNX-UHFFFAOYSA-N -1 0 329.278 3.503 20 0 EHADRM CCC(CC)[C@H]1C[C@@H](NC(=O)Nc2cccc(NC(=O)[O-])c2)CCO1 ZINC000833642778 605395682 /nfs/dbraw/zinc/39/56/82/605395682.db2.gz SRUNXNWDDKYLRU-JKSUJKDBSA-N -1 0 349.431 3.882 20 0 EHADRM O=C([O-])N1CC[C@H](CCC(=O)N2CCCCC[C@H]2c2ccccc2)C1 ZINC000834075349 605418247 /nfs/dbraw/zinc/41/82/47/605418247.db2.gz KMMZMGAYRBZWSO-WMZOPIPTSA-N -1 0 344.455 3.910 20 0 EHADRM O=C([O-])NC1CCC(C(=O)N2CCC[C@H]2CCC2CCCC2)CC1 ZINC000832248468 605423020 /nfs/dbraw/zinc/42/30/20/605423020.db2.gz XBLRKZSRCPVRFT-JCYILVPMSA-N -1 0 336.476 3.774 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)N(C)c2ccc(OCC(=O)[O-])cc2)CC(C)(C)C1 ZINC000262997943 605458935 /nfs/dbraw/zinc/45/89/35/605458935.db2.gz KOBAZSDMYQOCSW-ZIAGYGMSSA-N -1 0 333.428 3.575 20 0 EHADRM O=C([O-])N1CCC[C@H]1CCC(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000833995700 605476103 /nfs/dbraw/zinc/47/61/03/605476103.db2.gz PSUKCEBCPJTMMG-LSDHHAIUSA-N -1 0 334.416 3.646 20 0 EHADRM C[C@@H]1C[C@@H](Nc2cc(C(=O)[O-])ccc2OCc2ccccc2)CCO1 ZINC000833598969 605491625 /nfs/dbraw/zinc/49/16/25/605491625.db2.gz UCJKWGIDZALLJF-PBHICJAKSA-N -1 0 341.407 3.943 20 0 EHADRM Cc1ccc(C[C@@H](C)C(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)cc1 ZINC000833748512 605501107 /nfs/dbraw/zinc/50/11/07/605501107.db2.gz ODPVNMXLQZDIDG-LLVKDONJSA-N -1 0 344.436 3.844 20 0 EHADRM Cc1ccc(-c2nc(C(=O)OCc3ccccc3C(=O)[O-])cs2)o1 ZINC000833746877 605501986 /nfs/dbraw/zinc/50/19/86/605501986.db2.gz UEGZMRBNUCEYMR-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM Cc1ccc(C[C@@H](C)C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000669434116 605506300 /nfs/dbraw/zinc/50/63/00/605506300.db2.gz JUZYIHJVRDGQSJ-CRAIPNDOSA-N -1 0 337.419 3.779 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NCc1noc(C2CCCCC2)n1 ZINC000832079873 605517006 /nfs/dbraw/zinc/51/70/06/605517006.db2.gz PAOVWEZQPVZMAW-UHFFFAOYSA-N -1 0 342.399 3.770 20 0 EHADRM CCCN(C(=O)Nc1ccc(C)c(F)c1)C1CCN(C(=O)[O-])CC1 ZINC000826879608 605539243 /nfs/dbraw/zinc/53/92/43/605539243.db2.gz PAIIEZAPEOBVRK-UHFFFAOYSA-N -1 0 337.395 3.520 20 0 EHADRM Cc1cc(C(=O)N2CCc3sccc3[C@H]2C)ccc1NC(=O)[O-] ZINC000829933992 605588452 /nfs/dbraw/zinc/58/84/52/605588452.db2.gz DBHWNTQRCFTHJA-LLVKDONJSA-N -1 0 330.409 3.906 20 0 EHADRM O=C([O-])Nc1cccc(CN2CCCC[C@H]2c2noc(C3CC3)n2)c1 ZINC000834267841 605594371 /nfs/dbraw/zinc/59/43/71/605594371.db2.gz CCZGKVDXQAAOTB-HNNXBMFYSA-N -1 0 342.399 3.764 20 0 EHADRM CCCc1ccccc1NC(=O)[C@@H](CNC(=O)[O-])c1ccccc1 ZINC000826954914 605609294 /nfs/dbraw/zinc/60/92/94/605609294.db2.gz WJCCGRGFAGLWMF-INIZCTEOSA-N -1 0 326.396 3.629 20 0 EHADRM Cc1cc(C(=O)N(C)CCCc2ccccc2)ccc1NC(=O)[O-] ZINC000829914219 605617947 /nfs/dbraw/zinc/61/79/47/605617947.db2.gz BPNDZFPPUCFVPK-UHFFFAOYSA-N -1 0 326.396 3.790 20 0 EHADRM Cc1cc(C(=O)NCc2ccc([C@@H]3C[C@@H]3C)o2)ccc1NC(=O)[O-] ZINC000829956655 605628302 /nfs/dbraw/zinc/62/83/02/605628302.db2.gz KFBIOJUUKLJLNM-IINYFYTJSA-N -1 0 328.368 3.731 20 0 EHADRM Cc1cc(C(=O)N(C)CCc2ccc(F)cc2)ccc1NC(=O)[O-] ZINC000829914698 605637657 /nfs/dbraw/zinc/63/76/57/605637657.db2.gz UFHQJABBRVHJTQ-UHFFFAOYSA-N -1 0 330.359 3.539 20 0 EHADRM O=C([O-])Nc1cccc(-c2noc(CSCc3cscn3)n2)c1 ZINC000834262534 605644458 /nfs/dbraw/zinc/64/44/58/605644458.db2.gz MDERXTDFCNYHOL-UHFFFAOYSA-N -1 0 348.409 3.716 20 0 EHADRM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000833606862 605675632 /nfs/dbraw/zinc/67/56/32/605675632.db2.gz WYNPDZZMMNEPBB-GXSJLCMTSA-N -1 0 330.306 3.580 20 0 EHADRM Cc1cc(C(=O)N2CCCC[C@@H]2c2cccn2C)ccc1NC(=O)[O-] ZINC000829930243 605706292 /nfs/dbraw/zinc/70/62/92/605706292.db2.gz MEESPNHICSCCIQ-QGZVFWFLSA-N -1 0 341.411 3.791 20 0 EHADRM Cc1cc(C(=O)N2CCS[C@H]3CCCC[C@@H]32)ccc1NC(=O)[O-] ZINC000829933634 605709597 /nfs/dbraw/zinc/70/95/97/605709597.db2.gz ACOFPEVECSMKLG-GJZGRUSLSA-N -1 0 334.441 3.585 20 0 EHADRM Cc1cc(C(=O)Nc2ccn(CCC(C)C)n2)ccc1NC(=O)[O-] ZINC000829966248 605714523 /nfs/dbraw/zinc/71/45/23/605714523.db2.gz VQBFKGITNBHSDX-UHFFFAOYSA-N -1 0 330.388 3.580 20 0 EHADRM CC(C)(C)c1ccccc1COC(=O)c1csc(CNC(=O)[O-])n1 ZINC000823859718 605717429 /nfs/dbraw/zinc/71/74/29/605717429.db2.gz XJZSSCNXQKLOGJ-UHFFFAOYSA-N -1 0 348.424 3.565 20 0 EHADRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000825808092 605724572 /nfs/dbraw/zinc/72/45/72/605724572.db2.gz HQUGYTRZKGPUSH-RHSMWYFYSA-N -1 0 346.471 3.564 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)Cc1cccc(NC(=O)[O-])c1)C(C)C ZINC000833910994 605769446 /nfs/dbraw/zinc/76/94/46/605769446.db2.gz RFPKWSZBHZWLQR-QGZVFWFLSA-N -1 0 341.411 3.536 20 0 EHADRM C[C@@H]1CCCCN1C(=O)CSCc1cc(C(=O)[O-])ccc1Cl ZINC000833611542 605788909 /nfs/dbraw/zinc/78/89/09/605788909.db2.gz KLQBIBUAUMKPCN-LLVKDONJSA-N -1 0 341.860 3.672 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CN(C(=O)CC(C)(C)CC(=O)[O-])CC2 ZINC000191653877 605794601 /nfs/dbraw/zinc/79/46/01/605794601.db2.gz PEJSNZQWNHFTBS-UHFFFAOYSA-N -1 0 331.456 3.760 20 0 EHADRM O=C([O-])N[C@@H]1C[C@H](NC2(c3ccccc3F)CC2)c2ccccc21 ZINC000834159241 605811491 /nfs/dbraw/zinc/81/14/91/605811491.db2.gz OMOYKNSAFJKYMV-SJORKVTESA-N -1 0 326.371 3.858 20 0 EHADRM CC(C)[C@@H](NC(=O)CCCCNC(=O)[O-])c1ccccc1Cl ZINC000833794399 605897266 /nfs/dbraw/zinc/89/72/66/605897266.db2.gz ZIXMFMMXHVXSHK-OAHLLOKOSA-N -1 0 326.824 3.591 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)c3ccnc(Cl)c3F)ccc21 ZINC000834051408 605919590 /nfs/dbraw/zinc/91/95/90/605919590.db2.gz ABQGUCBSHSLHTO-UHFFFAOYSA-N -1 0 349.749 3.557 20 0 EHADRM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)CCCCNC(=O)[O-] ZINC000833912320 605928424 /nfs/dbraw/zinc/92/84/24/605928424.db2.gz GWUDYXXHDRNIMX-LBPRGKRZSA-N -1 0 341.477 3.532 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)c1cc(-c2ccco2)on1 ZINC000833906689 606005600 /nfs/dbraw/zinc/00/56/00/606005600.db2.gz XLIBVIYIKWUYEK-UHFFFAOYSA-N -1 0 327.296 3.585 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCCCOc1ccccc1 ZINC000833906853 606009366 /nfs/dbraw/zinc/00/93/66/606009366.db2.gz OIUOHAVIHQZNEO-UHFFFAOYSA-N -1 0 343.383 3.676 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCc1nc(C(C)C)cs1 ZINC000833907032 606011610 /nfs/dbraw/zinc/01/16/10/606011610.db2.gz WRPQCTMNXPGIRI-UHFFFAOYSA-N -1 0 348.428 3.987 20 0 EHADRM Cc1nc(C(=O)OCCCc2cccc(NC(=O)[O-])c2)c(C)s1 ZINC000833912140 606022186 /nfs/dbraw/zinc/02/21/86/606022186.db2.gz DSWLDIFCXIDOEM-UHFFFAOYSA-N -1 0 334.397 3.639 20 0 EHADRM O=C([O-])Nc1ccccc1Cc1nc(-c2nccc3ccccc32)no1 ZINC000834276033 606045598 /nfs/dbraw/zinc/04/55/98/606045598.db2.gz VKABFJKJXPKGFI-UHFFFAOYSA-N -1 0 346.346 3.966 20 0 EHADRM O=C([O-])N[C@@H](CC(F)F)C(=O)Oc1ccc(-c2ccccc2)cc1 ZINC000834138808 606085346 /nfs/dbraw/zinc/08/53/46/606085346.db2.gz XHRQJPYMERTZEL-AWEZNQCLSA-N -1 0 335.306 3.550 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)Nc1cc(-c2ccccc2)on1 ZINC000834274784 606098266 /nfs/dbraw/zinc/09/82/66/606098266.db2.gz QEZDJRTUGMAGDO-UHFFFAOYSA-N -1 0 337.335 3.613 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NC[C@@H](C)Sc2ccccc2)c1 ZINC001600109208 970764753 /nfs/dbraw/zinc/76/47/53/970764753.db2.gz KXNUIDYFZBDZIV-CYBMUJFWSA-N -1 0 329.421 3.604 20 0 EHADRM C[C@](NC(=O)CCCc1ccc2ccccc2c1)(C(=O)[O-])C1CC1 ZINC000191067232 939035758 /nfs/dbraw/zinc/03/57/58/939035758.db2.gz USUZIILLHVQNHT-HXUWFJFHSA-N -1 0 325.408 3.532 20 0 EHADRM CC(C)CCOc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000236782556 939044410 /nfs/dbraw/zinc/04/44/10/939044410.db2.gz SJNBEYMMURZHSL-GOSISDBHSA-N -1 0 341.407 3.667 20 0 EHADRM CC1CCC(NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)(C(=O)[O-])CC1 ZINC000236810105 939045109 /nfs/dbraw/zinc/04/51/09/939045109.db2.gz GCYPONZXAXNQQN-JWOUMNJPSA-N -1 0 335.831 3.593 20 0 EHADRM CCC(C)(C)N(C)C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(C)c1 ZINC000684895162 939052780 /nfs/dbraw/zinc/05/27/80/939052780.db2.gz PSAAFPZNLFKMQQ-CYBMUJFWSA-N -1 0 326.824 3.604 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)c1ccccc1 ZINC000238019747 939055165 /nfs/dbraw/zinc/05/51/65/939055165.db2.gz PCHJHJZESDYJAT-KRWDZBQOSA-N -1 0 339.322 3.641 20 0 EHADRM C/C(=C\c1cccc(Cl)c1)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000761591773 939067811 /nfs/dbraw/zinc/06/78/11/939067811.db2.gz BSCBCDLGKYNYEW-BPOBUFBUSA-N -1 0 343.810 3.860 20 0 EHADRM Cc1cccc([C@H](NC(=O)[C@@H](C)c2c(F)cccc2F)C(=O)[O-])c1C ZINC000263023633 939093509 /nfs/dbraw/zinc/09/35/09/939093509.db2.gz MIBYCONBSKUTDW-SJCJKPOMSA-N -1 0 347.361 3.627 20 0 EHADRM CCCc1nc(C)c(C(=O)N[C@H](C(=O)[O-])c2cccc(C)c2C)s1 ZINC000263045977 939095176 /nfs/dbraw/zinc/09/51/76/939095176.db2.gz NOMURJIPOCCWMG-HNNXBMFYSA-N -1 0 346.452 3.577 20 0 EHADRM O=C([O-])[C@@H](NC(=O)/C=C\C1CCCCC1)c1ccc(Cl)c(F)c1 ZINC000776687838 939104452 /nfs/dbraw/zinc/10/44/52/939104452.db2.gz BPMVOPAFBUAMBF-HWYHOQROSA-N -1 0 339.794 3.858 20 0 EHADRM CCC1CCC(NC(=O)[C@H]2CCCc3sccc32)(C(=O)[O-])CC1 ZINC000322401193 939125129 /nfs/dbraw/zinc/12/51/29/939125129.db2.gz VBJSZNPBRVRBMJ-FHBSJOOWSA-N -1 0 335.469 3.708 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)c(C)s1 ZINC000324388559 939125301 /nfs/dbraw/zinc/12/53/01/939125301.db2.gz YGQDAYCFWLWOQJ-KZULUSFZSA-N -1 0 346.452 3.725 20 0 EHADRM C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1)c1ccsc1 ZINC000345773862 939128305 /nfs/dbraw/zinc/12/83/05/939128305.db2.gz BIJGDORXOQMHOO-AMIZOPFISA-N -1 0 341.791 3.586 20 0 EHADRM COc1ccc(CCCCC(=O)NC2(C(=O)[O-])CCC(C)CC2)cc1 ZINC000346004365 939128384 /nfs/dbraw/zinc/12/83/84/939128384.db2.gz YJCSQIRCVWCSKB-UHFFFAOYSA-N -1 0 347.455 3.558 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc(Cl)cc1)c1ccc(Cl)c(F)c1 ZINC000345775707 939128466 /nfs/dbraw/zinc/12/84/66/939128466.db2.gz ANACBPFFLYUODJ-CYBMUJFWSA-N -1 0 342.153 3.688 20 0 EHADRM C[C@H]1CCc2sc(C(=O)N[C@@](C)(C(=O)[O-])c3ccccc3)cc2C1 ZINC000392046110 939136835 /nfs/dbraw/zinc/13/68/35/939136835.db2.gz RHBKZAIUDNMFHB-HXPMCKFVSA-N -1 0 343.448 3.603 20 0 EHADRM Cc1cccc([C@H](NC(=O)NC[C@H](C)c2ccccc2)C(=O)[O-])c1C ZINC000797703424 939159802 /nfs/dbraw/zinc/15/98/02/939159802.db2.gz DJWQRQYWHCLFRQ-KSSFIOAISA-N -1 0 340.423 3.532 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000432007929 939172103 /nfs/dbraw/zinc/17/21/03/939172103.db2.gz OQURJRYCVMQMNG-UHFFFAOYSA-N -1 0 338.473 3.656 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1ccc(-c2cccc(F)c2)c(F)c1)C1CC1 ZINC000797746875 939208797 /nfs/dbraw/zinc/20/87/97/939208797.db2.gz NFSAGDYPQJRXCX-MRXNPFEDSA-N -1 0 346.333 3.617 20 0 EHADRM CC/C=C(/C)C(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000836750262 939224019 /nfs/dbraw/zinc/22/40/19/939224019.db2.gz IJCFZOCNLHTYBL-ZHMISCPASA-N -1 0 330.211 3.766 20 0 EHADRM CCOc1cc(C(=O)N[C@](CC)(C(=O)[O-])c2ccccc2)ccc1C ZINC000485357379 939225779 /nfs/dbraw/zinc/22/57/79/939225779.db2.gz LLVNLAZABWYNNL-FQEVSTJZSA-N -1 0 341.407 3.514 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1ccc2cc(Br)ccc2c1)C1CC1 ZINC000852945125 939238666 /nfs/dbraw/zinc/23/86/66/939238666.db2.gz BMHDYMXTLJNRPH-AWEZNQCLSA-N -1 0 348.196 3.652 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)C1CCCC1 ZINC000852949056 939239801 /nfs/dbraw/zinc/23/98/01/939239801.db2.gz AHDJUYTTXXLHLW-KRWDZBQOSA-N -1 0 330.428 3.506 20 0 EHADRM O=C([O-])[C@H](NC(=O)NCCc1cccc2ccccc21)c1ccccc1 ZINC000515082631 939240058 /nfs/dbraw/zinc/24/00/58/939240058.db2.gz KYHBTCCIVKRFBV-LJQANCHMSA-N -1 0 348.402 3.507 20 0 EHADRM Cc1csc(NC(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)n1 ZINC000517272968 939248046 /nfs/dbraw/zinc/24/80/46/939248046.db2.gz DDFOVSKBAGLWGC-CQSZACIVSA-N -1 0 341.392 3.552 20 0 EHADRM CC(=O)N[C@H](C(=O)[O-])c1cccc(-c2cccc(COC(C)C)c2)c1 ZINC000864608685 939259346 /nfs/dbraw/zinc/25/93/46/939259346.db2.gz LFDWZSUWWXDYTR-IBGZPJMESA-N -1 0 341.407 3.540 20 0 EHADRM CSCc1ccc(NC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC000554603237 939300543 /nfs/dbraw/zinc/30/05/43/939300543.db2.gz MWGNCGSTCROOAL-OAHLLOKOSA-N -1 0 336.457 3.705 20 0 EHADRM CC(C)[C@@H](CNC(=O)N[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000563912941 939342012 /nfs/dbraw/zinc/34/20/12/939342012.db2.gz QFRDUHOKWVXVHN-QZTJIDSGSA-N -1 0 340.423 3.551 20 0 EHADRM CCc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1CC ZINC000563928631 939342553 /nfs/dbraw/zinc/34/25/53/939342553.db2.gz ORLWUFBGBSYLOR-KRWDZBQOSA-N -1 0 326.396 3.759 20 0 EHADRM CSc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)c1 ZINC000565583229 939349821 /nfs/dbraw/zinc/34/98/21/939349821.db2.gz HPICCQJMUHHDHE-MRXNPFEDSA-N -1 0 344.436 3.973 20 0 EHADRM CC[C@](NC(=O)[C@@H](C)OC1CCCCCC1)(C(=O)[O-])c1ccccc1 ZINC000567535115 939362478 /nfs/dbraw/zinc/36/24/78/939362478.db2.gz XCUOVKXEZXCERJ-FOIQADDNSA-N -1 0 347.455 3.621 20 0 EHADRM O=C([O-])[C@H](NC(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1cccs1 ZINC000568584781 939368372 /nfs/dbraw/zinc/36/83/72/939368372.db2.gz QHHPFIKFPIFXKX-RMRHIDDWSA-N -1 0 336.457 3.532 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1ccc(C2CCC2)cc1)c1cccc(O)c1 ZINC000568963601 939371978 /nfs/dbraw/zinc/37/19/78/939371978.db2.gz ZKKNDHVTWWMZJZ-KRWDZBQOSA-N -1 0 340.379 3.607 20 0 EHADRM Cc1cc(F)cc(NC(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2C)c1 ZINC000569909490 939379421 /nfs/dbraw/zinc/37/94/21/939379421.db2.gz FZBSWTRMQGCEOB-MRXNPFEDSA-N -1 0 330.359 3.698 20 0 EHADRM CO[C@@H]1CCC[C@@H]([C@@H](NC(=O)CCCC2CCCCC2)C(=O)[O-])C1 ZINC000573862182 939721325 /nfs/dbraw/zinc/72/13/25/939721325.db2.gz DSFUYHXZKKWARC-JFIYKMOQSA-N -1 0 339.476 3.512 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)N[C@H](C(=O)[O-])c1ccsc1 ZINC000576362200 939738667 /nfs/dbraw/zinc/73/86/67/939738667.db2.gz WVABZCMEEDZSBC-HZMBPMFUSA-N -1 0 337.828 3.522 20 0 EHADRM CCSCc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC000577296866 939745893 /nfs/dbraw/zinc/74/58/93/939745893.db2.gz QGRBVKPUVNHEBO-AWEZNQCLSA-N -1 0 335.450 3.557 20 0 EHADRM Cc1ccc([C@H](NC(=O)N[C@@H](C)c2ccsc2)C(=O)[O-])cc1C ZINC000929034178 939795624 /nfs/dbraw/zinc/79/56/24/939795624.db2.gz MYNUAOJBNOPKDG-WFASDCNBSA-N -1 0 332.425 3.551 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1)C(F)(F)F ZINC000630162706 939813100 /nfs/dbraw/zinc/81/31/00/939813100.db2.gz OOUMMTUURCRNKZ-ZUZCIYMTSA-N -1 0 339.313 3.670 20 0 EHADRM C[C@@H](CCC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000649355563 939832652 /nfs/dbraw/zinc/83/26/52/939832652.db2.gz ZPOZWPCNRUSQJQ-MGPUTAFESA-N -1 0 325.408 3.687 20 0 EHADRM Cc1ccccc1COc1cccc(NC(=O)[C@@H](C(=O)[O-])C2CC2)c1 ZINC000663082428 939853449 /nfs/dbraw/zinc/85/34/49/939853449.db2.gz MJUOHAPLPZYEQX-SFHVURJKSA-N -1 0 339.391 3.623 20 0 EHADRM CC(C)Oc1cccc([C@@H](C)NC(=O)[C@@H](C(=O)[O-])C2CCCC2)c1 ZINC000663087381 939853803 /nfs/dbraw/zinc/85/38/03/939853803.db2.gz YQEGETNVMCNGDB-DYVFJYSZSA-N -1 0 333.428 3.542 20 0 EHADRM C[C@H](NC(=O)[C@@H](C(=O)[O-])C1CCCC1)c1c(F)cccc1Cl ZINC000663097819 939854509 /nfs/dbraw/zinc/85/45/09/939854509.db2.gz FKYYPYJQVFETGV-XPTSAGLGSA-N -1 0 327.783 3.547 20 0 EHADRM Cc1cccc2c1CCC[C@H]2NC(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000663268263 939859292 /nfs/dbraw/zinc/85/92/92/939859292.db2.gz BFOWUCKYXFISOX-ZBFHGGJFSA-N -1 0 344.436 3.559 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000675980285 939864769 /nfs/dbraw/zinc/86/47/69/939864769.db2.gz NMJJYJBANJSGEE-AUUYWEPGSA-N -1 0 343.448 3.531 20 0 EHADRM C[C@H](NC(=O)NC1(C(=O)[O-])CCCCCC1)c1cc2ccccc2o1 ZINC000684715709 939871722 /nfs/dbraw/zinc/87/17/22/939871722.db2.gz PXBVMYANMJPNLO-ZDUSSCGKSA-N -1 0 344.411 3.971 20 0 EHADRM O=C([O-])c1ccccc1CCNC(=O)Nc1cc(Cl)ccc1F ZINC000321427624 970770781 /nfs/dbraw/zinc/77/07/81/970770781.db2.gz MQIGTTASLSLKIS-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)c2cc3c(s2)CCCC3)cc1F ZINC000321866822 970818192 /nfs/dbraw/zinc/81/81/92/970818192.db2.gz NSOYLKMGMZUJNM-UHFFFAOYSA-N -1 0 337.347 3.856 20 0 EHADRM Cc1cccc2c1CC(C)(C)N(C(=O)/C=C/c1ccc(C(=O)[O-])o1)C2 ZINC001600553624 970825834 /nfs/dbraw/zinc/82/58/34/970825834.db2.gz ACDDEKADOMUOIZ-CSKARUKUSA-N -1 0 339.391 3.663 20 0 EHADRM Cc1cccc(OC(=O)c2cccc(C(=O)[O-])c2)c1Br ZINC001600543357 970824676 /nfs/dbraw/zinc/82/46/76/970824676.db2.gz SKZURZLFNBXJCC-UHFFFAOYSA-N -1 0 335.153 3.675 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000322613246 970910999 /nfs/dbraw/zinc/91/09/99/970910999.db2.gz ZYSIZKOHRQWOJC-NSHDSACASA-N -1 0 332.322 3.716 20 0 EHADRM C[C@H]1CCN(Cc2ncc(-c3cccc(Cl)c3)o2)[C@@H](C(=O)[O-])C1 ZINC000322631780 970912214 /nfs/dbraw/zinc/91/22/14/970912214.db2.gz SKOOQOPCCRNTBK-SMDDNHRTSA-N -1 0 334.803 3.680 20 0 EHADRM C[C@@H]1CCN(Cc2coc(-c3ccc(Cl)cc3)n2)[C@@H](C(=O)[O-])C1 ZINC000322774632 970927929 /nfs/dbraw/zinc/92/79/29/970927929.db2.gz KJTYXKIOUFRXPE-IAQYHMDHSA-N -1 0 334.803 3.680 20 0 EHADRM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000323459368 971007090 /nfs/dbraw/zinc/00/70/90/971007090.db2.gz VSRWSRCQGCEMRS-UTLUCORTSA-N -1 0 326.343 3.561 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1ccc(-c2cccc(F)c2)c(F)c1 ZINC001601593265 971027356 /nfs/dbraw/zinc/02/73/56/971027356.db2.gz BIOIZDHVBCLWEH-LSDHHAIUSA-N -1 0 331.318 3.681 20 0 EHADRM CCc1ccc(NC(=O)N2CCC[C@@H](CSC)C2)c(C(=O)[O-])c1 ZINC000323766712 971036069 /nfs/dbraw/zinc/03/60/69/971036069.db2.gz WNGCKDIDCWNGAB-CYBMUJFWSA-N -1 0 336.457 3.554 20 0 EHADRM CC(C)c1nn(C)cc1NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000323814130 971041130 /nfs/dbraw/zinc/04/11/30/971041130.db2.gz OQCPRWNMGWUYAU-UHFFFAOYSA-N -1 0 336.779 3.539 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1C(=O)[O-] ZINC000323825316 971043231 /nfs/dbraw/zinc/04/32/31/971043231.db2.gz GBFOBCSPLDYKOS-UHFFFAOYSA-N -1 0 347.436 3.926 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)NCc2cccc3cccnc32)c1 ZINC001611459487 971061910 /nfs/dbraw/zinc/06/19/10/971061910.db2.gz DGSIQCBPGYXHBJ-UHFFFAOYSA-N -1 0 349.390 3.574 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000323948082 971065191 /nfs/dbraw/zinc/06/51/91/971065191.db2.gz MVKBKUWKSLFMLY-UHFFFAOYSA-N -1 0 337.297 3.893 20 0 EHADRM CC(C)Oc1ccc(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000324182396 971093718 /nfs/dbraw/zinc/09/37/18/971093718.db2.gz IDNSIIBIUPSMHX-UHFFFAOYSA-N -1 0 335.306 3.703 20 0 EHADRM O=C([O-])CCCCC(=O)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC001601979972 971106994 /nfs/dbraw/zinc/10/69/94/971106994.db2.gz JQSXSFZIRFVVFT-AWEZNQCLSA-N -1 0 341.860 3.678 20 0 EHADRM Cc1ccc(-c2nnc(COc3ccc(C(=O)[O-])cc3Cl)o2)cc1 ZINC000324572950 971133754 /nfs/dbraw/zinc/13/37/54/971133754.db2.gz DCUFGNBZCXVPSX-UHFFFAOYSA-N -1 0 344.754 3.976 20 0 EHADRM C[C@H]1CCC[C@@H](N(C)C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000324590122 971137416 /nfs/dbraw/zinc/13/74/16/971137416.db2.gz ZIEWTYRSXUGNPU-VHSXEESVSA-N -1 0 326.343 3.705 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@H](C)CCc1ccccc1 ZINC000324670199 971145570 /nfs/dbraw/zinc/14/55/70/971145570.db2.gz GOATUGXGACTELS-CQSZACIVSA-N -1 0 326.396 3.836 20 0 EHADRM C[C@H](NC(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccccc1Cl ZINC000324709826 971150400 /nfs/dbraw/zinc/15/04/00/971150400.db2.gz RJWPDWREOFHOBZ-LBPRGKRZSA-N -1 0 346.814 3.641 20 0 EHADRM O=C([O-])Cc1ccccc1CNC(=O)Nc1ccc2sccc2c1 ZINC000325210394 971193946 /nfs/dbraw/zinc/19/39/46/971193946.db2.gz KWEWUNCMNJXONL-UHFFFAOYSA-N -1 0 340.404 3.850 20 0 EHADRM O=C([O-])CC1(CNC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)CCCCC1 ZINC000325266077 971199411 /nfs/dbraw/zinc/19/94/11/971199411.db2.gz PEZUZTVQIBOOCV-OLZOCXBDSA-N -1 0 349.393 3.897 20 0 EHADRM Cc1cc2ccccc2n1CC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000325420230 971213618 /nfs/dbraw/zinc/21/36/18/971213618.db2.gz WTDNKGFBIZDBJG-UHFFFAOYSA-N -1 0 342.782 3.940 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC000325482697 971220419 /nfs/dbraw/zinc/22/04/19/971220419.db2.gz IIDXJQCRADENES-HOTGVXAUSA-N -1 0 330.428 3.748 20 0 EHADRM CCCCCC[C@@H](C)NC(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000325799839 971244118 /nfs/dbraw/zinc/24/41/18/971244118.db2.gz NXKHRXCPWUDGHI-CQSZACIVSA-N -1 0 332.444 3.811 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1CC[C@H]3CCCC[C@@H]3C1)C2 ZINC000326336764 971283661 /nfs/dbraw/zinc/28/36/61/971283661.db2.gz JFRJDEWKHVTSTE-RBSFLKMASA-N -1 0 327.424 3.834 20 0 EHADRM Cc1cccc(C2(C(=O)NCC3(CC(=O)[O-])CCCCC3)CCC2)c1 ZINC000326393247 971289571 /nfs/dbraw/zinc/28/95/71/971289571.db2.gz LVIBXHHUWADDMA-UHFFFAOYSA-N -1 0 343.467 3.958 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)N2CCC3(C2)CCCCC3)cc1F ZINC000326434845 971292960 /nfs/dbraw/zinc/29/29/60/971292960.db2.gz SPWLYJWBNBNMBY-UHFFFAOYSA-N -1 0 338.354 3.851 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)c1sccc1-n1cccc1 ZINC000326467987 971295727 /nfs/dbraw/zinc/29/57/27/971295727.db2.gz CJJLAHWKFVYECO-AWEZNQCLSA-N -1 0 346.452 3.692 20 0 EHADRM COc1ccc(/C=C\C(=O)N(CCC(=O)[O-])c2ccccc2C)cc1 ZINC000327404090 971396246 /nfs/dbraw/zinc/39/62/46/971396246.db2.gz VUNOGKUGQVBVJH-XFXZXTDPSA-N -1 0 339.391 3.525 20 0 EHADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000327533075 971406677 /nfs/dbraw/zinc/40/66/77/971406677.db2.gz JYTICODXHFNOPS-GUYCJALGSA-N -1 0 340.379 3.806 20 0 EHADRM O=C([O-])[C@@H]1CN(c2ccc(C(F)F)cc2[N+](=O)[O-])Cc2ccccc21 ZINC000327850932 971428611 /nfs/dbraw/zinc/42/86/11/971428611.db2.gz UJBSGMOBLDXKHL-CYBMUJFWSA-N -1 0 348.305 3.721 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)CCc2c[nH]c3ccccc23)c1F ZINC000327903371 971433349 /nfs/dbraw/zinc/43/33/49/971433349.db2.gz HZJFBYPMLSVIAS-UHFFFAOYSA-N -1 0 344.317 3.716 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000328427678 971472071 /nfs/dbraw/zinc/47/20/71/971472071.db2.gz IHDKFOLKGLUYJA-JGVFFNPUSA-N -1 0 335.709 3.798 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)[O-] ZINC000339341953 971516214 /nfs/dbraw/zinc/51/62/14/971516214.db2.gz CTBUNSDLMSHMGY-ZUZCIYMTSA-N -1 0 345.420 3.537 20 0 EHADRM CCC(CC)(NC(=O)c1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000342538445 971517627 /nfs/dbraw/zinc/51/76/27/971517627.db2.gz BNFIPMKSQXMTKY-UHFFFAOYSA-N -1 0 331.334 3.555 20 0 EHADRM CCCC[C@@H](NC(=O)C(C)(C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000347274191 971523094 /nfs/dbraw/zinc/52/30/94/971523094.db2.gz YURDWNSJBDRWMX-CYBMUJFWSA-N -1 0 345.361 3.743 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000347373082 971524725 /nfs/dbraw/zinc/52/47/25/971524725.db2.gz QENYGSYVVKGMKU-UHFFFAOYSA-N -1 0 341.338 3.607 20 0 EHADRM CCC[C@H](NC(=O)C[C@H](Cc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000347423306 971526527 /nfs/dbraw/zinc/52/65/27/971526527.db2.gz OHUREEMTGBIJPK-OALUTQOASA-N -1 0 339.435 3.773 20 0 EHADRM CCC[C@@H](NC(=O)C[C@H](Cc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000347423310 971526547 /nfs/dbraw/zinc/52/65/47/971526547.db2.gz OHUREEMTGBIJPK-RBUKOAKNSA-N -1 0 339.435 3.773 20 0 EHADRM CC[C@H](OC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1)C(C)(C)c1ccccc1 ZINC001589580283 949010125 /nfs/dbraw/zinc/01/01/25/949010125.db2.gz XKVGNRDLBVUOCC-OIISXLGYSA-N -1 0 348.439 3.556 20 0 EHADRM CC[C@H](OC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)C(=O)[O-] ZINC001589581020 949017784 /nfs/dbraw/zinc/01/77/84/949017784.db2.gz ZHFYDAZRGFKTQK-VKHMYHEASA-N -1 0 346.981 3.715 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001589584671 949032742 /nfs/dbraw/zinc/03/27/42/949032742.db2.gz LGAYMVHOJGEZRH-HZPDHXFCSA-N -1 0 347.411 3.639 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1C ZINC000366654636 971546241 /nfs/dbraw/zinc/54/62/41/971546241.db2.gz PLROQAGXUCWZJD-JFIYKMOQSA-N -1 0 329.440 3.858 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)NCc2ccccc2CC(C)C)C1 ZINC001589597100 949164158 /nfs/dbraw/zinc/16/41/58/949164158.db2.gz AUKCEESWIQVVPQ-HXUWFJFHSA-N -1 0 346.471 3.672 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCc3cccc(C(F)(F)F)c3C2)cc1 ZINC001595215310 949216489 /nfs/dbraw/zinc/21/64/89/949216489.db2.gz VKACKLXOWVAHTG-UHFFFAOYSA-N -1 0 349.308 3.602 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)NC1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC001602802220 971577762 /nfs/dbraw/zinc/57/77/62/971577762.db2.gz SFMILAMNEZMVIC-NSHDSACASA-N -1 0 343.345 3.702 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1CNC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001589621595 949416858 /nfs/dbraw/zinc/41/68/58/949416858.db2.gz LQAPITXIINCXLG-RKVPGOIHSA-N -1 0 344.455 3.596 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2ccc(OCc3ccccc3)nc2)c1 ZINC000190873149 949502249 /nfs/dbraw/zinc/50/22/49/949502249.db2.gz YBNLJRCLFRWCHD-UHFFFAOYSA-N -1 0 348.358 3.611 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cccc(-c3ccoc3)c2)C1 ZINC000191206610 949508080 /nfs/dbraw/zinc/50/80/80/949508080.db2.gz KAWNDDROIDEWLF-AWEZNQCLSA-N -1 0 327.380 3.664 20 0 EHADRM C[C@@H](CC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccc(F)cc1F ZINC000191206967 949508779 /nfs/dbraw/zinc/50/87/79/949508779.db2.gz WRXACOVXJFVXMY-QWHCGFSZSA-N -1 0 339.382 3.562 20 0 EHADRM CC[C@H](CC(=O)NCc1cccc(C(=O)[O-])c1)c1ccc(OC)cc1 ZINC000192874455 949511817 /nfs/dbraw/zinc/51/18/17/949511817.db2.gz YOQFMAGZNVVXDJ-OAHLLOKOSA-N -1 0 341.407 3.594 20 0 EHADRM CCC[C@](C)(NC(=O)Nc1cc(C(=O)[O-])ccn1)c1ccccc1 ZINC001589634179 949589180 /nfs/dbraw/zinc/58/91/80/949589180.db2.gz MPDOCDJRLYDNEG-SFHVURJKSA-N -1 0 327.384 3.617 20 0 EHADRM CCCC1(CCC)CCCN1C(=O)c1cccc(OCC(=O)[O-])c1 ZINC001589635684 949623190 /nfs/dbraw/zinc/62/31/90/949623190.db2.gz YZMPPHMAEJIALZ-UHFFFAOYSA-N -1 0 333.428 3.725 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)Nc1nc(-c2cccc3ccccc32)cs1 ZINC001602808980 971596561 /nfs/dbraw/zinc/59/65/61/971596561.db2.gz GQKBAPCTYGSQQM-SNVBAGLBSA-N -1 0 326.377 3.623 20 0 EHADRM CCCC[C@@H](CC)C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001589640912 949690076 /nfs/dbraw/zinc/69/00/76/949690076.db2.gz MDKSLIVSZOAMLK-SNVBAGLBSA-N -1 0 325.430 3.674 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)Nc1nc(-c2cccc3ccccc32)cs1 ZINC001602808979 971596817 /nfs/dbraw/zinc/59/68/17/971596817.db2.gz GQKBAPCTYGSQQM-JTQLQIEISA-N -1 0 326.377 3.623 20 0 EHADRM O=C([O-])c1cccc(NC(=O)COc2cc(Cl)cc(Cl)c2)c1 ZINC000232724339 949785098 /nfs/dbraw/zinc/78/50/98/949785098.db2.gz ZHIWCYSFXDIODN-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM CCC(CC)(CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)C(=O)[O-] ZINC000236903155 949945556 /nfs/dbraw/zinc/94/55/56/949945556.db2.gz QZYLKIKEPCBOGY-UHFFFAOYSA-N -1 0 342.439 3.668 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC(Cc3cccc(F)c3)CC2)cc1 ZINC000237986485 949985741 /nfs/dbraw/zinc/98/57/41/949985741.db2.gz NZTHMQWLWZAADA-UHFFFAOYSA-N -1 0 341.382 3.619 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000261648171 950045962 /nfs/dbraw/zinc/04/59/62/950045962.db2.gz DXYGSPUAMDMLNZ-UHFFFAOYSA-N -1 0 336.285 3.609 20 0 EHADRM CCCOc1ccc(NC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)cc1OC ZINC001589681456 950052908 /nfs/dbraw/zinc/05/29/08/950052908.db2.gz QVPVEPVSBOKQQO-UHFFFAOYSA-N -1 0 349.427 3.560 20 0 EHADRM CCCOc1ccc(COC(=O)[C@]2(C(=O)[O-])CC=CCC2)c(C)c1 ZINC001589681625 950054764 /nfs/dbraw/zinc/05/47/64/950054764.db2.gz XDHQVJWGEQDMBE-LJQANCHMSA-N -1 0 332.396 3.638 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)NC1(C(=O)[O-])CCCC1 ZINC001589681610 950055025 /nfs/dbraw/zinc/05/50/25/950055025.db2.gz WMIUICKUSMSWIZ-UHFFFAOYSA-N -1 0 340.807 3.648 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000262232068 950091859 /nfs/dbraw/zinc/09/18/59/950091859.db2.gz VKVHNVBWJJZKCU-YLDLBQQMSA-N -1 0 327.424 3.582 20 0 EHADRM CCCc1csc(NC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)n1 ZINC001589691074 950109758 /nfs/dbraw/zinc/10/97/58/950109758.db2.gz DVUMPTBFGHOFMY-UONOGXRCSA-N -1 0 345.424 3.530 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC[C@H]1C(=O)[O-] ZINC000262754420 950162590 /nfs/dbraw/zinc/16/25/90/950162590.db2.gz ACDCLEHZVBHVJU-PRHODGIISA-N -1 0 349.736 3.542 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000263027930 950220047 /nfs/dbraw/zinc/22/00/47/950220047.db2.gz YNIVPIYDHKWPDD-ZDUSSCGKSA-N -1 0 341.329 3.580 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000263027135 950221339 /nfs/dbraw/zinc/22/13/39/950221339.db2.gz KAZMFCFDJFOMTL-UHFFFAOYSA-N -1 0 338.379 3.522 20 0 EHADRM CC(C)(C)c1nc2ccc(NC(=O)NCCCC(=O)[O-])cc2s1 ZINC000263029324 950222337 /nfs/dbraw/zinc/22/23/37/950222337.db2.gz KHVVGFRNCCLUNF-UHFFFAOYSA-N -1 0 335.429 3.580 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N3C[C@H](C(=O)[O-])C[C@H](C)C3)o2)cc1 ZINC000263108071 950271077 /nfs/dbraw/zinc/27/10/77/950271077.db2.gz BMKLYZCEFCDFLH-XJKSGUPXSA-N -1 0 341.407 3.692 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)C2(Cc3cccc(F)c3)CCC2)cc1 ZINC000263156227 950301836 /nfs/dbraw/zinc/30/18/36/950301836.db2.gz ODTFOCABOWNRBC-UHFFFAOYSA-N -1 0 341.382 3.553 20 0 EHADRM CCN(C(=O)Nc1cccc(CCC(F)(F)F)c1)[C@H](C)C(=O)[O-] ZINC001589707148 950304718 /nfs/dbraw/zinc/30/47/18/950304718.db2.gz NGHAWBCIPRVTBO-SNVBAGLBSA-N -1 0 332.322 3.508 20 0 EHADRM CCN(C(=O)Nc1cccc(CCC(F)(F)F)c1)[C@@H](C)C(=O)[O-] ZINC001589707147 950304780 /nfs/dbraw/zinc/30/47/80/950304780.db2.gz NGHAWBCIPRVTBO-JTQLQIEISA-N -1 0 332.322 3.508 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccccc2OC2CCCC2)C1 ZINC000263175792 950311349 /nfs/dbraw/zinc/31/13/49/950311349.db2.gz SSKLHYFGFDBUTC-KBPBESRZSA-N -1 0 346.427 3.583 20 0 EHADRM Cc1nc(C)c([C@H](C)N(C)C(=O)c2cc(C)cc(C(=O)[O-])c2)s1 ZINC000263355099 950396539 /nfs/dbraw/zinc/39/65/39/950396539.db2.gz WREJUNXUKVIOPO-NSHDSACASA-N -1 0 332.425 3.600 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)C1 ZINC000263363100 950402203 /nfs/dbraw/zinc/40/22/03/950402203.db2.gz SKOIRPJEQIXSIR-MAAHGYRXSA-N -1 0 337.419 3.513 20 0 EHADRM CC[C@H]1c2ccsc2CCN1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263387629 950430250 /nfs/dbraw/zinc/43/02/50/950430250.db2.gz PXEJQILCIJCJTA-HNNXBMFYSA-N -1 0 344.436 3.665 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)Cc2cccc(Cl)c2Cl)C1 ZINC000263411902 950446370 /nfs/dbraw/zinc/44/63/70/950446370.db2.gz JCXZAAALQPNIOX-NSHDSACASA-N -1 0 344.238 3.639 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000263538044 950507253 /nfs/dbraw/zinc/50/72/53/950507253.db2.gz PLNYBLDJOIUDLA-ZIAGYGMSSA-N -1 0 337.847 3.622 20 0 EHADRM O=C([O-])c1ccc(CN2CCO[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000263562872 950512365 /nfs/dbraw/zinc/51/23/65/950512365.db2.gz CYWHWXCETJCXKH-KRWDZBQOSA-N -1 0 331.799 3.612 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Nc1ccc(Cl)cc1F ZINC000315874734 950857796 /nfs/dbraw/zinc/85/77/96/950857796.db2.gz JPWZNVDMGJDUNM-LLVKDONJSA-N -1 0 328.771 3.730 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCc2ccc(Cl)cc2Cl)ccn1 ZINC000316173417 950872490 /nfs/dbraw/zinc/87/24/90/950872490.db2.gz JNTYUMSYFLDZDV-UHFFFAOYSA-N -1 0 339.178 3.658 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2cc(F)cc(Cl)c2)C1 ZINC000318317252 950924453 /nfs/dbraw/zinc/92/44/53/950924453.db2.gz VPDNQOBTJDTKIX-OAHLLOKOSA-N -1 0 328.771 3.588 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)CCCCCc2ccc(F)cc2)C1 ZINC001594987932 951030485 /nfs/dbraw/zinc/03/04/85/951030485.db2.gz OPWGVWHBBFUKPE-MRXNPFEDSA-N -1 0 335.419 3.642 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)NCc2cccc(Cl)c2)c1 ZINC000322931370 951040035 /nfs/dbraw/zinc/04/00/35/951040035.db2.gz OJFOYMJXZILWMM-UHFFFAOYSA-N -1 0 332.787 3.679 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000324362392 951066600 /nfs/dbraw/zinc/06/66/00/951066600.db2.gz RICZGAFJELKPIG-OAHLLOKOSA-N -1 0 334.416 3.725 20 0 EHADRM O=C([O-])CCC(=O)N1CCC[C@H](Cc2csc3ccccc23)C1 ZINC001594995744 951076003 /nfs/dbraw/zinc/07/60/03/951076003.db2.gz IJJSSJJHTKVQJC-CYBMUJFWSA-N -1 0 331.437 3.547 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1ccc(F)c(C(F)(F)F)c1)CC(=O)[O-] ZINC000324935180 951077800 /nfs/dbraw/zinc/07/78/00/951077800.db2.gz WPMCXXHLPQNEMH-JTQLQIEISA-N -1 0 349.324 3.711 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)N2CCC(C)(C(=O)[O-])CC2)c1 ZINC000324998386 951078924 /nfs/dbraw/zinc/07/89/24/951078924.db2.gz YFUUVHWVYAKGQA-CYBMUJFWSA-N -1 0 334.416 3.583 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001602860467 971715320 /nfs/dbraw/zinc/71/53/20/971715320.db2.gz CBZICHKGHZUVQE-GFCCVEGCSA-N -1 0 331.334 3.715 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2cccc(OC(F)F)c2)c1 ZINC000325904388 951095731 /nfs/dbraw/zinc/09/57/31/951095731.db2.gz XVEWPHXXJQNEEB-UHFFFAOYSA-N -1 0 335.306 3.558 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000347517096 951133435 /nfs/dbraw/zinc/13/34/35/951133435.db2.gz LREWHIJLSFBFMR-CABCVRRESA-N -1 0 335.469 3.518 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)N[C@@H](C(C)(C)C)C(F)(F)F)C(=O)[O-] ZINC001602861193 971718638 /nfs/dbraw/zinc/71/86/38/971718638.db2.gz MFGNVUGYVAKMLH-KOLCDFICSA-N -1 0 340.386 3.542 20 0 EHADRM O=C([O-])CC[C@H]1C[C@@H](C(=O)Nc2cccc(-c3ccccc3)c2)CO1 ZINC001595006694 951208282 /nfs/dbraw/zinc/20/82/82/951208282.db2.gz OUBFDTXAWDUBAL-AEFFLSMTSA-N -1 0 339.391 3.562 20 0 EHADRM C[C@H](NC(=O)N1CCCC[C@H]1CCC(=O)[O-])[C@@H]1CC2CCC1CC2 ZINC000382174261 951217931 /nfs/dbraw/zinc/21/79/31/951217931.db2.gz QBZRQVUBWGGBPU-VMAZRHSESA-N -1 0 336.476 3.630 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)C[C@H](c1ccc(O)cc1)C1CC1 ZINC001595008054 951227673 /nfs/dbraw/zinc/22/76/73/951227673.db2.gz BMGQEQBJMIMPFW-WMZOPIPTSA-N -1 0 345.439 3.522 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)NC[C@@H](c1ccccc1)C1CC1 ZINC001595011150 951241777 /nfs/dbraw/zinc/24/17/77/951241777.db2.gz HPJCJHLURGKZKN-MSOLQXFVSA-N -1 0 344.455 3.609 20 0 EHADRM CCOc1cc(C)ccc1NC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001592094329 951298510 /nfs/dbraw/zinc/29/85/10/951298510.db2.gz LZXCLQKIZUPZPE-CQSZACIVSA-N -1 0 334.416 3.502 20 0 EHADRM CCOc1ccc2cc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])[nH]c2c1 ZINC001592816342 951371145 /nfs/dbraw/zinc/37/11/45/951371145.db2.gz WGFOKALRQSNLMR-AWEZNQCLSA-N -1 0 346.427 3.576 20 0 EHADRM O=C([O-])CCNC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC001595058807 951507574 /nfs/dbraw/zinc/50/75/74/951507574.db2.gz OGOBCKHVZFZCED-UHFFFAOYSA-N -1 0 334.759 3.729 20 0 EHADRM Cc1ccc(NC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)cc1C(F)(F)F ZINC000397078823 951516675 /nfs/dbraw/zinc/51/66/75/951516675.db2.gz GNGWRVYKHRSTSF-GHMZBOCLSA-N -1 0 344.333 3.731 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)c1 ZINC001595065091 951539291 /nfs/dbraw/zinc/53/92/91/951539291.db2.gz BNZBWJJRGRBLEO-LBPRGKRZSA-N -1 0 344.333 3.510 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cc3c(s2)CCCCCC3)C1 ZINC000399073978 951631477 /nfs/dbraw/zinc/63/14/77/951631477.db2.gz RGLBQPLITIACBZ-TZMCWYRMSA-N -1 0 335.469 3.590 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1ncsc1-c1ccccc1 ZINC001595137806 952065371 /nfs/dbraw/zinc/06/53/71/952065371.db2.gz OAWQXDKCRUVGGM-UHFFFAOYSA-N -1 0 338.388 3.690 20 0 EHADRM O=C([O-])[C@@H]1CCCN(c2nc(Cl)c(C(F)(F)F)cc2Cl)C1 ZINC001595164699 952204390 /nfs/dbraw/zinc/20/43/90/952204390.db2.gz BMBCVKBSMBWSCN-ZCFIWIBFSA-N -1 0 343.132 3.708 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)C1CCC(C3CC3)CC1)CCOC2 ZINC001595206864 952333757 /nfs/dbraw/zinc/33/37/57/952333757.db2.gz PFCXBYNMYCLQLK-UHFFFAOYSA-N -1 0 349.452 3.674 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CC3(CCC3)[C@H]2c2ccccc2)ccn1 ZINC001595208659 952351936 /nfs/dbraw/zinc/35/19/36/952351936.db2.gz OLZFZJYTXZCSGY-MRXNPFEDSA-N -1 0 337.379 3.539 20 0 EHADRM CCCN(Cc1ccccc1)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000383576572 971877308 /nfs/dbraw/zinc/87/73/08/971877308.db2.gz NSMIEKZGPVFQNE-UHFFFAOYSA-N -1 0 330.359 3.968 20 0 EHADRM CC(C)(C)c1ccc(C2(CNC(=O)NCCC(=O)[O-])CCCC2)cc1 ZINC001602922984 971883386 /nfs/dbraw/zinc/88/33/86/971883386.db2.gz LKMTUVBRIAOAGY-UHFFFAOYSA-N -1 0 346.471 3.570 20 0 EHADRM CC(C)(CNC(=O)[C@@]1(C(=O)[O-])CC1(C)C)c1ccc2ccccc2c1 ZINC001602944243 971915103 /nfs/dbraw/zinc/91/51/03/971915103.db2.gz MIKSEUJSPJRRAV-OAQYLSRUSA-N -1 0 339.435 3.735 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)NCC2(C3CCC3)CCC2)c2ccccc21 ZINC001594745547 953382177 /nfs/dbraw/zinc/38/21/77/953382177.db2.gz DKYBIIXBSCUVFO-SJORKVTESA-N -1 0 342.439 3.569 20 0 EHADRM CC[C@@H](NC(=O)N1CCCC[C@H]1CCC(=O)[O-])c1ccc(F)cc1 ZINC001593603217 953417005 /nfs/dbraw/zinc/41/70/05/953417005.db2.gz YLKBWGCHZKZFRN-JKSUJKDBSA-N -1 0 336.407 3.706 20 0 EHADRM CN(Cc1cccc(Cl)c1Cl)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424397788 953463594 /nfs/dbraw/zinc/46/35/94/953463594.db2.gz LIJRWPUYQYXGBN-UHFFFAOYSA-N -1 0 347.242 3.636 20 0 EHADRM CCC(CC)(CNC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000424417199 953477794 /nfs/dbraw/zinc/47/77/94/953477794.db2.gz WPJZBNFSXJRBSH-LLVKDONJSA-N -1 0 342.386 3.558 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000424421008 953480356 /nfs/dbraw/zinc/48/03/56/953480356.db2.gz LEVCJCBIZCWQLU-IAGOWNOFSA-N -1 0 332.444 3.588 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)CCCc1ccc2ccccc2c1)C1CC1 ZINC000431460100 953501801 /nfs/dbraw/zinc/50/18/01/953501801.db2.gz VZWBSVVQHMDCTK-CQSZACIVSA-N -1 0 325.408 3.627 20 0 EHADRM CC[C@H](NC(=O)[C@H]1CCCC[C@H]1c1nc2ccccc2s1)C(=O)[O-] ZINC001593618916 953514135 /nfs/dbraw/zinc/51/41/35/953514135.db2.gz QNIJBHOLXZPALC-XQQFMLRXSA-N -1 0 346.452 3.550 20 0 EHADRM CC[C@H](C)Oc1ccc(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000519118773 953547831 /nfs/dbraw/zinc/54/78/31/953547831.db2.gz AVVJGLRGPGSIEL-KBPBESRZSA-N -1 0 334.416 3.583 20 0 EHADRM CCCn1ccc2ccc(NC(=O)N3CC[C@H](C)[C@@H](C(=O)[O-])C3)cc21 ZINC000519715737 953549772 /nfs/dbraw/zinc/54/97/72/953549772.db2.gz XQEANQGPBGCIRC-BBRMVZONSA-N -1 0 343.427 3.626 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)c1cc2c(cccc2C2CC2)[nH]1 ZINC001594771792 953565929 /nfs/dbraw/zinc/56/59/29/953565929.db2.gz AALQVQHCYHEFDJ-UHFFFAOYSA-N -1 0 334.375 3.674 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)c1cc2c(cccc2F)s1 ZINC001594771858 953566509 /nfs/dbraw/zinc/56/65/09/953566509.db2.gz CTXRZFHTOOVULX-UHFFFAOYSA-N -1 0 329.352 3.669 20 0 EHADRM CCc1ccc(CN(CC(C)C)C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001593637752 953621329 /nfs/dbraw/zinc/62/13/29/953621329.db2.gz IHPTWCLEWVSWOE-MSOLQXFVSA-N -1 0 346.471 3.670 20 0 EHADRM C[C@@H]1C[C@H]1[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001589295068 953638324 /nfs/dbraw/zinc/63/83/24/953638324.db2.gz OOPKKWGZXJNFSZ-OKKJVPACSA-N -1 0 335.831 3.654 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)C(c1ccccc1)c1ccccc1 ZINC001589299192 953679233 /nfs/dbraw/zinc/67/92/33/953679233.db2.gz IPUUCSDPALMYDP-MAUKXSAKSA-N -1 0 337.419 3.530 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N3CC[C@@H](C)[C@@H](C(=O)[O-])C3)o2)cc1 ZINC000577221487 953694025 /nfs/dbraw/zinc/69/40/25/953694025.db2.gz RBCRGJMGOJKMOQ-CJNGLKHVSA-N -1 0 341.407 3.692 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC001589303330 953710080 /nfs/dbraw/zinc/71/00/80/953710080.db2.gz GFBIAIKATLXXIP-DNVCBOLYSA-N -1 0 337.419 3.608 20 0 EHADRM CCSCc1cccc(NC(=O)N2CCC(C)(C(=O)[O-])CC2)c1 ZINC000592464692 953745711 /nfs/dbraw/zinc/74/57/11/953745711.db2.gz CUKUATZAFRYGSP-UHFFFAOYSA-N -1 0 336.457 3.658 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1cc(F)ccc1Cl)c1ccc(F)cc1 ZINC001594802016 953746649 /nfs/dbraw/zinc/74/66/49/953746649.db2.gz YHGCDNZOWHDHHW-ZDUSSCGKSA-N -1 0 340.713 3.566 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCc1nc(C2(C(=O)[O-])CCC2)no1 ZINC001589310761 953792906 /nfs/dbraw/zinc/79/29/06/953792906.db2.gz ZLQVYZRHHOTZPH-MGPQQGTHSA-N -1 0 336.432 3.553 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCc1nc(C2(C(=O)[O-])CCC2)no1 ZINC001589310760 953793061 /nfs/dbraw/zinc/79/30/61/953793061.db2.gz ZLQVYZRHHOTZPH-MCIONIFRSA-N -1 0 336.432 3.553 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(C(=O)[O-])c2)c(C)n1CC(F)(F)F ZINC000621540492 953793734 /nfs/dbraw/zinc/79/37/34/953793734.db2.gz BIEXWVBSSUEINZ-UHFFFAOYSA-N -1 0 340.301 3.618 20 0 EHADRM O=C([O-])c1cc(C(=O)Nc2cccc(CSC3CCCC3)c2)[nH]n1 ZINC001594810175 953808656 /nfs/dbraw/zinc/80/86/56/953808656.db2.gz DKPJKKBPIMHIFG-UHFFFAOYSA-N -1 0 345.424 3.536 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)c1coc(-c2c(F)cccc2F)n1 ZINC001594810652 953815197 /nfs/dbraw/zinc/81/51/97/953815197.db2.gz SCOONAVYWXKFID-UHFFFAOYSA-N -1 0 344.273 3.570 20 0 EHADRM C[C@@H]1CCCC[C@H]1CCNC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001589319516 953845289 /nfs/dbraw/zinc/84/52/89/953845289.db2.gz MHKQWPMSPXCHCV-VKJFTORMSA-N -1 0 344.455 3.596 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000630291487 953850181 /nfs/dbraw/zinc/85/01/81/953850181.db2.gz NOXBRFPYIVHCPM-OAHLLOKOSA-N -1 0 343.810 3.597 20 0 EHADRM CC1CCC(C)(CNC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)CC1 ZINC001589323052 953882739 /nfs/dbraw/zinc/88/27/39/953882739.db2.gz GMANHBJCLWYANN-OAAAQFAESA-N -1 0 346.471 3.545 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2ncc(C3CCCCC3)s2)CCCC1 ZINC001594820587 953894259 /nfs/dbraw/zinc/89/42/59/953894259.db2.gz DMNFXMWMOCAAMY-UHFFFAOYSA-N -1 0 337.445 3.710 20 0 EHADRM CN(C(=O)C1(CC(=O)[O-])CCC1)c1nc2ccc(Cl)cc2s1 ZINC001593674979 953911047 /nfs/dbraw/zinc/91/10/47/953911047.db2.gz HJGHATYYFSYZOQ-UHFFFAOYSA-N -1 0 338.816 3.558 20 0 EHADRM C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000646155142 953936577 /nfs/dbraw/zinc/93/65/77/953936577.db2.gz HFKPDMAMELPPTQ-PBHICJAKSA-N -1 0 344.455 3.596 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC000646156187 953938120 /nfs/dbraw/zinc/93/81/20/953938120.db2.gz RQAPJKJDDWTMCS-IAGOWNOFSA-N -1 0 344.455 3.609 20 0 EHADRM CN(C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)[C@@H]1CCC(C)(C)C1 ZINC001593677308 953940590 /nfs/dbraw/zinc/94/05/90/953940590.db2.gz DOXLHQPKEAFBSF-DAXOMENPSA-N -1 0 330.428 3.520 20 0 EHADRM CN(C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)[C@H]1CCC(C)(C)C1 ZINC001593677307 953940738 /nfs/dbraw/zinc/94/07/38/953940738.db2.gz DOXLHQPKEAFBSF-APHBMKBZSA-N -1 0 330.428 3.520 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)ccn1 ZINC001594827878 953951690 /nfs/dbraw/zinc/95/16/90/953951690.db2.gz XZTRGMKPEUFSIF-HNNXBMFYSA-N -1 0 345.786 3.706 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001602975002 971986106 /nfs/dbraw/zinc/98/61/06/971986106.db2.gz PVMUCNRYUAPUGY-IBGZPJMESA-N -1 0 326.396 3.623 20 0 EHADRM CC(C)[C@](C)(Cc1ccc(Cl)cc1)NC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001602975458 971987047 /nfs/dbraw/zinc/98/70/47/971987047.db2.gz XNYCBYUMFPRJDK-DAYGRLMNSA-N -1 0 337.847 3.524 20 0 EHADRM O=C([O-])C1(C(=O)N2CC[C@H](CSc3ccccc3)C2)CCCCC1 ZINC001594846224 954149921 /nfs/dbraw/zinc/14/99/21/954149921.db2.gz RVVWAQZMKMHVSX-HNNXBMFYSA-N -1 0 347.480 3.662 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000653331547 954161024 /nfs/dbraw/zinc/16/10/24/954161024.db2.gz SSORBPRMMYZGIB-KKXDTOCCSA-N -1 0 345.439 3.544 20 0 EHADRM CCc1ccc(CCC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000653333601 954165259 /nfs/dbraw/zinc/16/52/59/954165259.db2.gz QYXXXBGYHVQZJK-RTBURBONSA-N -1 0 337.419 3.611 20 0 EHADRM O=C([O-])[C@@]1(C(=O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)CC=CCC1 ZINC001594853932 954208658 /nfs/dbraw/zinc/20/86/58/954208658.db2.gz AJXANZYBPXTZHW-PXNSSMCTSA-N -1 0 343.398 3.689 20 0 EHADRM Cc1cc(C(=O)NC[C@H](C(=O)[O-])C(C)C)c(C)n1C1CCCCC1 ZINC000655570792 954209179 /nfs/dbraw/zinc/20/91/79/954209179.db2.gz KXBRKZDSRZHWLA-KRWDZBQOSA-N -1 0 334.460 3.697 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1F ZINC000655580019 954220763 /nfs/dbraw/zinc/22/07/63/954220763.db2.gz FANYVTGRXXQIPT-NZBPQXDJSA-N -1 0 335.419 3.571 20 0 EHADRM C[C@H](CCNC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655867165 954252843 /nfs/dbraw/zinc/25/28/43/954252843.db2.gz VIKXRPKHGGSZBD-YQFWSFKMSA-N -1 0 346.471 3.615 20 0 EHADRM C[C@H](CNC(=O)N[C@H](C)c1ccc(-c2ccc(F)cc2)cc1)C(=O)[O-] ZINC000655873597 954260081 /nfs/dbraw/zinc/26/00/81/954260081.db2.gz ILYJYPXWXIZVHY-CHWSQXEVSA-N -1 0 344.386 3.574 20 0 EHADRM CC[C@H](C)[C@H](C)N(C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)C1CC1 ZINC000655904535 954286218 /nfs/dbraw/zinc/28/62/18/954286218.db2.gz KNWWLLDTPISVID-KUCCMMOJSA-N -1 0 338.492 3.730 20 0 EHADRM O=C([O-])C1(C(=O)NCc2cc(F)c(Cl)cc2F)CCCCCC1 ZINC001594862794 954288871 /nfs/dbraw/zinc/28/88/71/954288871.db2.gz LUAHAKAZPMQOAW-UHFFFAOYSA-N -1 0 345.773 3.660 20 0 EHADRM C[C@@H](NC(=O)N(C)[C@@H](C)c1cccs1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655905936 954288919 /nfs/dbraw/zinc/28/89/19/954288919.db2.gz GLBRKKHOAIFCHD-MROQNXINSA-N -1 0 338.473 3.586 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cccc(COC(C)(C)C)c2)CC[C@@H]1C(=O)[O-] ZINC001589387100 954311615 /nfs/dbraw/zinc/31/16/15/954311615.db2.gz KFIRLLSRRCHQKH-CJNGLKHVSA-N -1 0 348.443 3.576 20 0 EHADRM O=C([O-])[C@@]1(C(=O)N[C@@H]2CCCc3ccc(Cl)cc32)CC=CCC1 ZINC001594868644 954324546 /nfs/dbraw/zinc/32/45/46/954324546.db2.gz AARHWCZAPPSKTI-QAPCUYQASA-N -1 0 333.815 3.645 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2cc(-c3ccccc3)ns2)CC=CCC1 ZINC001594869066 954331434 /nfs/dbraw/zinc/33/14/34/954331434.db2.gz BAQGTTPJYZQIMO-KRWDZBQOSA-N -1 0 328.393 3.560 20 0 EHADRM C[C@H]1CN(C(=O)c2cc3cccc(Cl)c3s2)CC[C@H]1C(=O)[O-] ZINC001589393475 954352416 /nfs/dbraw/zinc/35/24/16/954352416.db2.gz YYRSSOCTVLUOKT-GXSJLCMTSA-N -1 0 337.828 3.738 20 0 EHADRM CC(C)CCN(C(=O)c1cccc(OCC(=O)[O-])c1)C1CCCC1 ZINC000659753982 954355079 /nfs/dbraw/zinc/35/50/79/954355079.db2.gz MHVXNJUXALPFAJ-UHFFFAOYSA-N -1 0 333.428 3.581 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2nc(-c3cccc(F)c3)cs2)CC=CCC1 ZINC001594871787 954361650 /nfs/dbraw/zinc/36/16/50/954361650.db2.gz FXTDVUQYFPOSCP-QGZVFWFLSA-N -1 0 346.383 3.699 20 0 EHADRM O=C([O-])C1(c2noc([C@H](c3cccnc3)C3CCCCC3)n2)CCC1 ZINC001594887093 954474305 /nfs/dbraw/zinc/47/43/05/954474305.db2.gz KTDAZXPODBEWDI-HNNXBMFYSA-N -1 0 341.411 3.683 20 0 EHADRM CC(C)[C@@H]1C[C@H]1C(=O)Nc1sc2c(c1C(=O)[O-])C[C@@H](C)O[C@@H]2C ZINC001589411042 954516245 /nfs/dbraw/zinc/51/62/45/954516245.db2.gz MTQIDOVJOSKTGQ-CHWFTXMASA-N -1 0 337.441 3.699 20 0 EHADRM Cc1cccc(-c2cncc(C(=O)N(CC(=O)[O-])CC(C)(C)C)c2)c1 ZINC000663136157 954524002 /nfs/dbraw/zinc/52/40/02/954524002.db2.gz BNQUFOGUCSWXBU-UHFFFAOYSA-N -1 0 340.423 3.630 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1 ZINC000679096860 954590478 /nfs/dbraw/zinc/59/04/78/954590478.db2.gz MCOPYGWEGHKCLZ-KUHUBIRLSA-N -1 0 337.419 3.563 20 0 EHADRM Cc1ccc(/C=C/CC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000685025284 954608295 /nfs/dbraw/zinc/60/82/95/954608295.db2.gz ZRCAOCXCEFWGPU-IRUYWQDXSA-N -1 0 337.419 3.557 20 0 EHADRM CC(C)[C@@H]1N(C(=O)NCC2(C(=O)[O-])CCC2)CC12CCCCCC2 ZINC001603002722 972049439 /nfs/dbraw/zinc/04/94/39/972049439.db2.gz GZVPNGWTQSLRSA-HNNXBMFYSA-N -1 0 336.476 3.632 20 0 EHADRM CC[C@H](CC(=O)Nc1sc2c(c1C(=O)[O-])COCC2)C(C)C ZINC001589464410 954889526 /nfs/dbraw/zinc/88/95/26/954889526.db2.gz SRQUIGIQUKDOPD-SNVBAGLBSA-N -1 0 325.430 3.530 20 0 EHADRM CC(C)C[C@H](CNC(=O)CCSc1cccc(Cl)c1)C(=O)[O-] ZINC001603005153 972056246 /nfs/dbraw/zinc/05/62/46/972056246.db2.gz UHIUWJKWDQNBOQ-GFCCVEGCSA-N -1 0 343.876 3.685 20 0 EHADRM CCC(CC)(CNC(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1)C(=O)[O-] ZINC001589489104 955005430 /nfs/dbraw/zinc/00/54/30/955005430.db2.gz XWODVIOUXRNUNK-WBVHZDCISA-N -1 0 346.471 3.713 20 0 EHADRM CCC(CC)(CNC(=O)NCc1cccc(C(=O)[O-])c1)C(F)(F)F ZINC001589496660 955019787 /nfs/dbraw/zinc/01/97/87/955019787.db2.gz VELGFKWCSFDBNL-UHFFFAOYSA-N -1 0 346.349 3.553 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cc(F)c(Cl)cc1OC)C(=O)[O-] ZINC001589497565 955020331 /nfs/dbraw/zinc/02/03/31/955020331.db2.gz LPIAUWOLJZMHIC-UHFFFAOYSA-N -1 0 346.786 3.500 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cncc(C(=O)[O-])c1)c1ccccc1 ZINC001589497796 955022365 /nfs/dbraw/zinc/02/23/65/955022365.db2.gz BGIVTQDXMNROIP-UHFFFAOYSA-N -1 0 341.411 3.659 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)N2CCC(C)(C(=O)[O-])CC2)cc1 ZINC001589512692 955052318 /nfs/dbraw/zinc/05/23/18/955052318.db2.gz LSMTVRHSHJXKEG-UHFFFAOYSA-N -1 0 333.428 3.581 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1Cc1ccc(Cl)nc1Cl ZINC001594965896 955053957 /nfs/dbraw/zinc/05/39/57/955053957.db2.gz XRZWBLMXXHNFAF-CQSZACIVSA-N -1 0 337.206 3.572 20 0 EHADRM CC[C@H](CNC(=O)N(Cc1ccc(C(C)C)cc1)C1CC1)C(=O)[O-] ZINC001589525306 955108493 /nfs/dbraw/zinc/10/84/93/955108493.db2.gz UUEXPBIZDQCMGH-OAHLLOKOSA-N -1 0 332.444 3.595 20 0 EHADRM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000780657546 955342122 /nfs/dbraw/zinc/34/21/22/955342122.db2.gz IOMMMKVNMPQZGQ-WMLDXEAASA-N -1 0 347.459 3.605 20 0 EHADRM Cc1oc(C(C)(C)C)cc1C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001594507231 955369775 /nfs/dbraw/zinc/36/97/75/955369775.db2.gz UMFRPVFSQLOGCM-FQEVSTJZSA-N -1 0 343.423 3.658 20 0 EHADRM C[C@@H](CCC(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC001589014359 955419655 /nfs/dbraw/zinc/41/96/55/955419655.db2.gz PUYSEIQTJNLKGQ-SCLBCKFNSA-N -1 0 329.371 3.652 20 0 EHADRM CC(C)Oc1ccc(CC[C@@H](C)NC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc1 ZINC001589016220 955439363 /nfs/dbraw/zinc/43/93/63/955439363.db2.gz BYNWJYSOVSAGEO-RHSMWYFYSA-N -1 0 349.471 3.658 20 0 EHADRM CCCCN(CCOc1ccc(/C=C/C(=O)[O-])cc1)CC(F)(F)F ZINC000387036678 972098748 /nfs/dbraw/zinc/09/87/48/972098748.db2.gz PWBVCUPDAMXVHT-RMKNXTFCSA-N -1 0 345.361 3.828 20 0 EHADRM COc1ccccc1CN(Cc1cccs1)C(=O)CCCC(=O)[O-] ZINC000844248145 955663501 /nfs/dbraw/zinc/66/35/01/955663501.db2.gz FPZPHYFCLIJFLL-UHFFFAOYSA-N -1 0 347.436 3.540 20 0 EHADRM CC(C)Cc1ccc(-c2csc(NC(=O)[C@H](C)C(=O)[O-])n2)cc1 ZINC001603053979 972117246 /nfs/dbraw/zinc/11/72/46/972117246.db2.gz BWYJWVNFNBILLD-NSHDSACASA-N -1 0 332.425 3.668 20 0 EHADRM C[C@H](CSc1ccccc1)N(C)C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001589077062 955830284 /nfs/dbraw/zinc/83/02/84/955830284.db2.gz PPZDEKFQXGLMQO-MMQHEFTJSA-N -1 0 345.420 3.630 20 0 EHADRM O=C([O-])C1CCC(NC(=O)CCc2ccc(F)c3ccccc23)CC1 ZINC000864120305 955947469 /nfs/dbraw/zinc/94/74/69/955947469.db2.gz HPQJRPICZMXHAQ-UHFFFAOYSA-N -1 0 343.398 3.671 20 0 EHADRM C[C@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC001589108600 956047885 /nfs/dbraw/zinc/04/78/85/956047885.db2.gz LHDJDOFHVVIESD-KGLIPLIRSA-N -1 0 326.396 3.627 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1sccc1C(F)F ZINC000872712651 956060258 /nfs/dbraw/zinc/06/02/58/956060258.db2.gz WGLAEDZBVOAVIZ-LBPRGKRZSA-N -1 0 337.347 3.510 20 0 EHADRM C[C@H]1CCN(C(=O)NCc2ccccc2C(=O)[O-])[C@H](c2ccco2)C1 ZINC000874410359 956185367 /nfs/dbraw/zinc/18/53/67/956185367.db2.gz RJZDLSBLNRNBDY-BBRMVZONSA-N -1 0 342.395 3.661 20 0 EHADRM COc1c(Cl)cccc1NC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000899310969 956279678 /nfs/dbraw/zinc/27/96/78/956279678.db2.gz KFLRXZFETOOGEQ-LLVKDONJSA-N -1 0 340.807 3.600 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Nc1cccc(OC(F)F)c1 ZINC000899310957 956279968 /nfs/dbraw/zinc/27/99/68/956279968.db2.gz JUUVTTZYPMJEIL-LBPRGKRZSA-N -1 0 342.342 3.539 20 0 EHADRM CC(C)c1ccc(C[C@H]2CCN(C(=O)[C@]3(C(=O)[O-])CC3(C)C)C2)cc1 ZINC001603100386 972174576 /nfs/dbraw/zinc/17/45/76/972174576.db2.gz CUSYOWCRKGLBLB-IERDGZPVSA-N -1 0 343.467 3.702 20 0 EHADRM CC(C)c1ccc(C2(CNC(=O)N(C)CCC(=O)[O-])CCCC2)cc1 ZINC001603100360 972174757 /nfs/dbraw/zinc/17/47/57/972174757.db2.gz ALXZUXINHHRARR-UHFFFAOYSA-N -1 0 346.471 3.738 20 0 EHADRM C[C@H](OC(=O)[C@]1(C(=O)[O-])CC=CCC1)c1ccc(OC(F)F)cc1 ZINC001589158943 956388911 /nfs/dbraw/zinc/38/89/11/956388911.db2.gz PSVSROVVFWRTKF-APPDUMDISA-N -1 0 340.322 3.703 20 0 EHADRM C[C@@H](OC(=O)[C@]1(C(=O)[O-])CC=CCC1)c1ccc(OC(F)F)cc1 ZINC001589158946 956389444 /nfs/dbraw/zinc/38/94/44/956389444.db2.gz PSVSROVVFWRTKF-PIGZYNQJSA-N -1 0 340.322 3.703 20 0 EHADRM C[C@@H](OC(=O)[C@@]1(C(=O)[O-])CC=CCC1)c1ccc(OC(F)F)cc1 ZINC001589158944 956389457 /nfs/dbraw/zinc/38/94/57/956389457.db2.gz PSVSROVVFWRTKF-DIFFPNOSSA-N -1 0 340.322 3.703 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCc1ccc(F)c2ccccc12 ZINC000901655010 956406232 /nfs/dbraw/zinc/40/62/32/956406232.db2.gz JUOIXTUXPYLBQP-ZFWWWQNUSA-N -1 0 343.398 3.623 20 0 EHADRM CCC(CC)(CNC(=O)c1cc2c(cncc2Cl)s1)C(=O)[O-] ZINC000901696225 956421178 /nfs/dbraw/zinc/42/11/78/956421178.db2.gz OQVKLXYURHVKGN-UHFFFAOYSA-N -1 0 340.832 3.571 20 0 EHADRM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(CC(=O)[O-])CC(C)(C)C ZINC001589168126 956439856 /nfs/dbraw/zinc/43/98/56/956439856.db2.gz WVZJOUZLMCUIHS-CQSZACIVSA-N -1 0 349.471 3.711 20 0 EHADRM C[C@@H](SCC(=O)[O-])C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC001589169886 956466549 /nfs/dbraw/zinc/46/65/49/956466549.db2.gz QDXKUWNZDAVXAF-ZCFIWIBFSA-N -1 0 341.738 3.504 20 0 EHADRM CC(C)Oc1ccccc1[C@H](C)NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC000901834810 956495815 /nfs/dbraw/zinc/49/58/15/956495815.db2.gz YLXTZUCAZHUZRC-XEHSLEBBSA-N -1 0 343.379 3.656 20 0 EHADRM C[C@H](c1ccccc1)N(C(=O)c1ccc(OCC(=O)[O-])cc1)C1CC1 ZINC001589177676 956513761 /nfs/dbraw/zinc/51/37/61/956513761.db2.gz UIACVASUMJBDAJ-CQSZACIVSA-N -1 0 339.391 3.516 20 0 EHADRM Cc1cc(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)ccc1N1CCCC1 ZINC000901945695 956560308 /nfs/dbraw/zinc/56/03/08/956560308.db2.gz MJNVZZLUTBLDHK-TWGQIWQCSA-N -1 0 340.379 3.538 20 0 EHADRM C[C@@H](NC(=O)c1ccsc1C(F)(F)F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000902029943 956620580 /nfs/dbraw/zinc/62/05/80/956620580.db2.gz MDVSWNJHZWUXLT-FKTZTGRPSA-N -1 0 349.374 3.632 20 0 EHADRM C[C@H]1N(C(=O)c2coc(/C=C\C(=O)[O-])c2)c2ccccc2C1(C)C ZINC000902073476 956641713 /nfs/dbraw/zinc/64/17/13/956641713.db2.gz BZTPXWMQRCOGPH-JLVNDZCYSA-N -1 0 325.364 3.704 20 0 EHADRM CC(C)(CC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-])CC(F)(F)F ZINC000902099945 956651423 /nfs/dbraw/zinc/65/14/23/956651423.db2.gz WFVSRQNVVSUWHL-CQSZACIVSA-N -1 0 343.345 3.566 20 0 EHADRM O=C([O-])c1cccnc1NC(=O)/C=C\c1csc(C(F)(F)F)c1 ZINC001594675971 956664429 /nfs/dbraw/zinc/66/44/29/956664429.db2.gz QLSUDUSKANVFKC-ARJAWSKDSA-N -1 0 342.298 3.512 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CCCc1ccccc1Cl)c1ccccc1 ZINC001594685508 956711033 /nfs/dbraw/zinc/71/10/33/956711033.db2.gz RHIGOATXXMAKLF-KRWDZBQOSA-N -1 0 331.799 3.605 20 0 EHADRM CC1(C)C[C@@H](O)c2cccc(NCc3cccc(C(=O)[O-])c3)c2O1 ZINC001589213323 956714207 /nfs/dbraw/zinc/71/42/07/956714207.db2.gz YLBTWEAXWHRKHY-MRXNPFEDSA-N -1 0 327.380 3.591 20 0 EHADRM CC1(C)C[C@@H](C(=O)Nc2ccccc2C(=O)[O-])c2ccccc2O1 ZINC001589214455 956726161 /nfs/dbraw/zinc/72/61/61/956726161.db2.gz UXCKGFWGMFWPSB-CQSZACIVSA-N -1 0 325.364 3.668 20 0 EHADRM CC1(C)C[C@]1(NC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001589220449 956769707 /nfs/dbraw/zinc/76/97/07/956769707.db2.gz WHTZWRKUZQWPPN-FQEVSTJZSA-N -1 0 338.407 3.509 20 0 EHADRM CC1(C)CCC[C@H]1CCNC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001589225885 956793852 /nfs/dbraw/zinc/79/38/52/956793852.db2.gz NKFGVFHKHVYXIG-RDJZCZTQSA-N -1 0 344.455 3.596 20 0 EHADRM C[C@@H](Cc1ccco1)C(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21 ZINC000902820957 956810034 /nfs/dbraw/zinc/81/00/34/956810034.db2.gz VOKYKOFROHOVLT-GJZGRUSLSA-N -1 0 341.407 3.529 20 0 EHADRM O=C([O-])C1(NC(=O)Cc2cc3cc(Cl)ccc3[nH]2)CCCCCC1 ZINC001594705440 956838111 /nfs/dbraw/zinc/83/81/11/956838111.db2.gz QCHIJOBPXOARSI-UHFFFAOYSA-N -1 0 348.830 3.658 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OCCOc1ccc(Cl)cc1 ZINC000011800723 956891995 /nfs/dbraw/zinc/89/19/95/956891995.db2.gz UKFTUFXYIXORDA-OQFOIZHKSA-N -1 0 348.782 3.904 20 0 EHADRM O=C([O-])c1ccc(CSCC(=O)Nc2ccccc2Cl)cc1 ZINC000013066170 956922774 /nfs/dbraw/zinc/92/27/74/956922774.db2.gz JUEDIKJWNSCRLB-UHFFFAOYSA-N -1 0 335.812 3.910 20 0 EHADRM COC(=O)c1ccc(COc2c(C(=O)[O-])ccc3ccccc32)cc1 ZINC000013085938 956939442 /nfs/dbraw/zinc/93/94/42/956939442.db2.gz WPFGDOLZDIMABC-UHFFFAOYSA-N -1 0 336.343 3.904 20 0 EHADRM CC(C)c1cccc(OS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC000013088737 956941220 /nfs/dbraw/zinc/94/12/20/956941220.db2.gz BELKPZSPBPZSKO-DHZHZOJOSA-N -1 0 346.404 3.676 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCc2cccc(Br)c2)cc1 ZINC000013166744 956948879 /nfs/dbraw/zinc/94/88/79/956948879.db2.gz ULGDHFMTUAZCRD-UHFFFAOYSA-N -1 0 348.196 3.719 20 0 EHADRM CCc1sc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)[O-])cc1C ZINC000013169000 956953409 /nfs/dbraw/zinc/95/34/09/956953409.db2.gz SAHGTKUPULBBKQ-UHFFFAOYSA-N -1 0 349.408 3.587 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCc1ccccc1Cl)c1ccc(F)cc1 ZINC000013177226 956957925 /nfs/dbraw/zinc/95/79/25/956957925.db2.gz UUEIXQKABRRRDU-MRXNPFEDSA-N -1 0 349.789 3.744 20 0 EHADRM CC[C@H](CNC(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C)C(=O)[O-] ZINC000905053856 956959825 /nfs/dbraw/zinc/95/98/25/956959825.db2.gz IBTRGJAJZJFXMY-HUUCEWRRSA-N -1 0 347.459 3.606 20 0 EHADRM Cc1ccccc1OCCC(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000013187507 956971695 /nfs/dbraw/zinc/97/16/95/956971695.db2.gz USLOYMQQMFHBGJ-UHFFFAOYSA-N -1 0 333.771 3.754 20 0 EHADRM O=C([O-])c1ccc([N+](=O)[O-])c(OCc2ccc(F)cc2Cl)c1 ZINC000013188042 956972316 /nfs/dbraw/zinc/97/23/16/956972316.db2.gz WPJIMOKCIUEFQG-UHFFFAOYSA-N -1 0 325.679 3.665 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)C(C)(C)C ZINC000908118345 956983059 /nfs/dbraw/zinc/98/30/59/956983059.db2.gz AQWCQSXEYUJUAP-SYJIQKIWSA-N -1 0 342.395 3.598 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)c2cc(F)cc(Cl)c2)c2ccccc21 ZINC001594726166 957005976 /nfs/dbraw/zinc/00/59/76/957005976.db2.gz JCMDEOAJYZCKLC-LSDHHAIUSA-N -1 0 333.746 3.522 20 0 EHADRM COc1ccc(Cl)cc1C(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC000013390078 957042480 /nfs/dbraw/zinc/04/24/80/957042480.db2.gz UXXPYVNKIZXBNU-UHFFFAOYSA-N -1 0 345.782 3.640 20 0 EHADRM O=C([O-])c1cccc(OCC(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000013418749 957058414 /nfs/dbraw/zinc/05/84/14/957058414.db2.gz TYABNFFZHDEPJN-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000013439754 957077654 /nfs/dbraw/zinc/07/76/54/957077654.db2.gz OZHBEINBLHIFEV-UHFFFAOYSA-N -1 0 337.297 3.514 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(-c3ccccc3F)o2)cc1O ZINC000033588891 957188650 /nfs/dbraw/zinc/18/86/50/957188650.db2.gz DWBRZNPBDPVUPH-UHFFFAOYSA-N -1 0 341.294 3.742 20 0 EHADRM CCOC(=O)CSCc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000036336988 957228719 /nfs/dbraw/zinc/22/87/19/957228719.db2.gz IHYHQBMELHJKLH-UHFFFAOYSA-N -1 0 328.386 3.535 20 0 EHADRM Cc1cc(Br)ccc1C(=O)Nc1sccc1C(=O)[O-] ZINC000036829348 957240108 /nfs/dbraw/zinc/24/01/08/957240108.db2.gz RMDKTJYLWQIAOQ-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM O=C([O-])c1sccc1NC(=O)Cc1c(Cl)cccc1Cl ZINC000037451959 957297968 /nfs/dbraw/zinc/29/79/68/957297968.db2.gz NTNQDMYIYMBBEW-UHFFFAOYSA-N -1 0 330.192 3.934 20 0 EHADRM O=C([O-])c1sccc1NC(=O)COc1cc(Cl)ccc1Cl ZINC000037451906 957298245 /nfs/dbraw/zinc/29/82/45/957298245.db2.gz FVJZHYXQJQMTBZ-UHFFFAOYSA-N -1 0 346.191 3.771 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NC[C@@H]2CCCC2(F)F)cc1 ZINC000389980926 972259282 /nfs/dbraw/zinc/25/92/82/972259282.db2.gz KMKQAKAQWDGBBN-LBPRGKRZSA-N -1 0 340.370 3.606 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)NC[C@H]2CCCC2(F)F)c1 ZINC000390041994 972262454 /nfs/dbraw/zinc/26/24/54/972262454.db2.gz CQYKQYTYZMTAHZ-SECBINFHSA-N -1 0 332.734 3.595 20 0 EHADRM CC(C)c1ccc(O[C@H](C)CNC(=O)[C@H](C(=O)[O-])C2CCCC2)cc1 ZINC001603166475 972263295 /nfs/dbraw/zinc/26/32/95/972263295.db2.gz JOPGFXQMRIIAHB-RDTXWAMCSA-N -1 0 347.455 3.585 20 0 EHADRM CCCCSCC(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000050200872 957485864 /nfs/dbraw/zinc/48/58/64/957485864.db2.gz IPGCEXCAKFHOSB-UHFFFAOYSA-N -1 0 346.246 3.619 20 0 EHADRM Cc1sc(NC(=O)c2cccc3cccnc32)c(C(=O)[O-])c1C ZINC000390207651 972270049 /nfs/dbraw/zinc/27/00/49/972270049.db2.gz CRAIVNGQJTVZAQ-UHFFFAOYSA-N -1 0 326.377 3.864 20 0 EHADRM C[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])c1ccc(Br)cc1 ZINC000059436790 957562400 /nfs/dbraw/zinc/56/24/00/957562400.db2.gz NMSNBCPOFCZLLI-SNVBAGLBSA-N -1 0 342.233 3.517 20 0 EHADRM CCN(C(=O)[C@@H](C)Sc1ccc(Cl)cc1)C(C)(C)C(=O)[O-] ZINC000061149452 957574833 /nfs/dbraw/zinc/57/48/33/957574833.db2.gz NGSIHFZQPWBTFB-SNVBAGLBSA-N -1 0 329.849 3.532 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1F ZINC000390348704 972277540 /nfs/dbraw/zinc/27/75/40/972277540.db2.gz IHAXVSPUAQWZEB-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)CC(F)F ZINC001603183631 972282910 /nfs/dbraw/zinc/28/29/10/972282910.db2.gz LNYZZLZTYWMZCQ-ZCFIWIBFSA-N -1 0 338.713 3.590 20 0 EHADRM Cc1cc(C(=O)N2CCCc3cc(C(=O)[O-])ccc32)cc(C)c1F ZINC001594275334 957712650 /nfs/dbraw/zinc/71/26/50/957712650.db2.gz KENUDTNQHHNRFS-UHFFFAOYSA-N -1 0 327.355 3.734 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCCCOc1ccc(Cl)cc1 ZINC000390483892 972288120 /nfs/dbraw/zinc/28/81/20/972288120.db2.gz FWYJIDHGNDHSEX-UHFFFAOYSA-N -1 0 336.771 3.895 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC001574770327 957753108 /nfs/dbraw/zinc/75/31/08/957753108.db2.gz IRHYHRKSHMZZFV-RKDXNWHRSA-N -1 0 336.800 3.513 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2cc(C3CCCCC3)nn2C)c1 ZINC001594288166 957793613 /nfs/dbraw/zinc/79/36/13/957793613.db2.gz BINMLLLFTNSXOX-UHFFFAOYSA-N -1 0 341.411 3.727 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2nc(-c3ccccc3F)co2)c1 ZINC001594288622 957799857 /nfs/dbraw/zinc/79/98/57/957799857.db2.gz AMAGJJUOEROWIB-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2CCC[C@@H]2Cc2ccccc2)ccc1O ZINC001574790491 957805981 /nfs/dbraw/zinc/80/59/81/957805981.db2.gz VMXLGJNUUSWVOZ-GDBMZVCRSA-N -1 0 339.391 3.688 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2ccc(Br)s2)cc1 ZINC001574802852 957843535 /nfs/dbraw/zinc/84/35/35/957843535.db2.gz RNKQBWABPMWBQH-UHFFFAOYSA-N -1 0 341.182 3.566 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)C1(c2cccc(F)c2)CC1 ZINC001574804249 957848848 /nfs/dbraw/zinc/84/88/48/957848848.db2.gz DZGPIFFMYPXOJL-UHFFFAOYSA-N -1 0 339.366 3.535 20 0 EHADRM O=C([O-])c1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)c1 ZINC001574809648 957869588 /nfs/dbraw/zinc/86/95/88/957869588.db2.gz SDVBNCAHQUMIJQ-LSDHHAIUSA-N -1 0 347.317 3.728 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC001339726638 957873314 /nfs/dbraw/zinc/87/33/14/957873314.db2.gz XUIIJKWPLGTWCK-DJIMGWMZSA-N -1 0 348.418 3.501 20 0 EHADRM CC[C@H](NC(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1F ZINC001339733624 957873363 /nfs/dbraw/zinc/87/33/63/957873363.db2.gz QNASBRAOWJDQQK-CJNGLKHVSA-N -1 0 336.407 3.563 20 0 EHADRM CON(Cc1ccccc1Cl)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001594043540 957901220 /nfs/dbraw/zinc/90/12/20/957901220.db2.gz GYEBPRKEJLEKMU-UHFFFAOYSA-N -1 0 348.786 3.563 20 0 EHADRM CON(Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001594044169 957906495 /nfs/dbraw/zinc/90/64/95/957906495.db2.gz TXIAVSOCFJPCDY-UHFFFAOYSA-N -1 0 348.786 3.563 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC001603199797 972305134 /nfs/dbraw/zinc/30/51/34/972305134.db2.gz MIGGSSQZKIHMJT-JTQLQIEISA-N -1 0 333.771 3.561 20 0 EHADRM COc1c(C)cc(Cl)cc1NC(=O)NCc1ccccc1C(=O)[O-] ZINC001594046896 957939554 /nfs/dbraw/zinc/93/95/54/957939554.db2.gz FHYKFMRTXPOHOC-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM Cc1cc(Cl)ccc1NC(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001594307846 957984467 /nfs/dbraw/zinc/98/44/67/957984467.db2.gz ATUCIMJPVFBPLE-AWEZNQCLSA-N -1 0 336.750 3.735 20 0 EHADRM Cc1cc(NC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc(C(F)(F)F)c1 ZINC001594317558 958085143 /nfs/dbraw/zinc/08/51/43/958085143.db2.gz IVRDONCERQPTBV-MFKMUULPSA-N -1 0 344.333 3.588 20 0 EHADRM CCC(CC)(CC)CNC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000391138745 972319710 /nfs/dbraw/zinc/31/97/10/972319710.db2.gz BHEKMTQCQRWTAR-INIZCTEOSA-N -1 0 332.444 3.596 20 0 EHADRM O=C([O-])c1cncc(Oc2ccc3cc(Br)ccc3c2)n1 ZINC000091408069 958142281 /nfs/dbraw/zinc/14/22/81/958142281.db2.gz KCMZBUMQEDIHCM-UHFFFAOYSA-N -1 0 345.152 3.883 20 0 EHADRM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)Cc1cc(Br)cs1 ZINC000091781457 958152590 /nfs/dbraw/zinc/15/25/90/958152590.db2.gz HMGHQRUSGBHLKB-QMMMGPOBSA-N -1 0 344.230 3.995 20 0 EHADRM CC(F)(F)c1cc(F)ccc1NC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC001603211082 972325835 /nfs/dbraw/zinc/32/58/35/972325835.db2.gz UBBKVLYWGIXMQM-INIZCTEOSA-N -1 0 327.302 3.687 20 0 EHADRM C[C@@H](NC(=O)[C@@H](C(=O)[O-])C1CC1)c1cccc(SC(F)(F)F)c1 ZINC001603211264 972325874 /nfs/dbraw/zinc/32/58/74/972325874.db2.gz WJMCQWRRRAJNBV-PELKAZGASA-N -1 0 347.358 3.587 20 0 EHADRM Cc1ccc(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])c(F)c1Cl ZINC001594344160 958315583 /nfs/dbraw/zinc/31/55/83/958315583.db2.gz KZJKRWRCHGUVBC-INIZCTEOSA-N -1 0 347.773 3.612 20 0 EHADRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NCCc1ccccc1F ZINC000391438976 972337116 /nfs/dbraw/zinc/33/71/16/972337116.db2.gz RSXGSNAJOORUER-UHFFFAOYSA-N -1 0 338.722 3.740 20 0 EHADRM Cc1ccc(C(C)C)c(OCCC(=O)NCCC(C)(C)C(=O)[O-])c1 ZINC001594349091 958333136 /nfs/dbraw/zinc/33/31/36/958333136.db2.gz DKHTYBWSSIJCQU-UHFFFAOYSA-N -1 0 335.444 3.504 20 0 EHADRM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)NC[C@H](C(=O)[O-])C(C)C)cc1 ZINC001594353797 958391227 /nfs/dbraw/zinc/39/12/27/958391227.db2.gz IXSRJEHAKSIOGZ-BZSNNMDCSA-N -1 0 346.471 3.629 20 0 EHADRM COc1ccc(NC(=O)[C@H](C(=O)[O-])C2CCCC2)c2ccccc12 ZINC001594101518 958437999 /nfs/dbraw/zinc/43/79/99/958437999.db2.gz CNPKBLVVRFXGSM-QGZVFWFLSA-N -1 0 327.380 3.678 20 0 EHADRM Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)C1(CC(=O)[O-])CCC1 ZINC001594369330 958530555 /nfs/dbraw/zinc/53/05/55/958530555.db2.gz KBGVBIWBUCMCPL-UHFFFAOYSA-N -1 0 346.427 3.563 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2Cc1ccc([N+](=O)[O-])cc1Cl ZINC000391677729 972355940 /nfs/dbraw/zinc/35/59/40/972355940.db2.gz XTHYTJGVPHGMPS-UHFFFAOYSA-N -1 0 346.770 3.899 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)[O-])cc1OCCC(C)C ZINC001594371301 958544889 /nfs/dbraw/zinc/54/48/89/958544889.db2.gz WJDHGXPKINKJFY-HNNXBMFYSA-N -1 0 334.416 3.501 20 0 EHADRM COc1ccc2c(c1)c(C(=O)Nc1sccc1C(=O)[O-])c(C)n2C ZINC001594117207 958557897 /nfs/dbraw/zinc/55/78/97/958557897.db2.gz CUCQSWZNGRACEK-UHFFFAOYSA-N -1 0 344.392 3.507 20 0 EHADRM COc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2F)c1OC(C)C ZINC001594121706 958601448 /nfs/dbraw/zinc/60/14/48/958601448.db2.gz FXUFIMYDMXXHTB-UHFFFAOYSA-N -1 0 347.342 3.572 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)c1sccc1Br ZINC000128145797 958636364 /nfs/dbraw/zinc/63/63/64/958636364.db2.gz OOUUCMDNZXCCLA-UHFFFAOYSA-N -1 0 346.227 3.831 20 0 EHADRM Cc1ccc2c(CC(=O)N3CCCc4cc(C(=O)[O-])ccc43)c[nH]c2c1 ZINC001594382109 958640337 /nfs/dbraw/zinc/64/03/37/958640337.db2.gz SNXNLRZRQBDQEA-UHFFFAOYSA-N -1 0 348.402 3.696 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)c1cccc(Br)c1 ZINC000128175560 958641059 /nfs/dbraw/zinc/64/10/59/958641059.db2.gz JAERYEGHMQHJOY-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM Cc1ccc2c(CCNC(=O)Nc3cccc(C(=O)[O-])c3)c[nH]c2c1 ZINC001594382183 958642852 /nfs/dbraw/zinc/64/28/52/958642852.db2.gz YQIFCBNNXJRBFY-UHFFFAOYSA-N -1 0 337.379 3.539 20 0 EHADRM COc1cccc(C[C@@H](C)CC(=O)NC2(C(=O)[O-])CCCCCC2)c1 ZINC001594126632 958643006 /nfs/dbraw/zinc/64/30/06/958643006.db2.gz RJXBKSIUOUUCSD-OAHLLOKOSA-N -1 0 347.455 3.558 20 0 EHADRM Cc1ccc2cccc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c2n1 ZINC001594382517 958645558 /nfs/dbraw/zinc/64/55/58/958645558.db2.gz AISREBRPBUERMT-HNNXBMFYSA-N -1 0 328.412 3.553 20 0 EHADRM Cc1ccc2cc(S(=O)(=O)Oc3ccccc3C(=O)[O-])ccc2c1 ZINC001594383285 958650775 /nfs/dbraw/zinc/65/07/75/958650775.db2.gz UIPYBZUKVCKEAB-UHFFFAOYSA-N -1 0 342.372 3.614 20 0 EHADRM Cc1cc(Cl)c(NC(=O)N2CCC[C@H]2CC(=O)[O-])cc1Cl ZINC000128361160 958660373 /nfs/dbraw/zinc/66/03/73/958660373.db2.gz ZZNSVJXEBXUEEI-VIFPVBQESA-N -1 0 331.199 3.773 20 0 EHADRM Cc1cc(Cl)ccc1O[C@H](C)C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000391789120 972373938 /nfs/dbraw/zinc/37/39/38/972373938.db2.gz YCEZUPWTAZGGDW-GFCCVEGCSA-N -1 0 347.798 3.777 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001594145289 958756107 /nfs/dbraw/zinc/75/61/07/958756107.db2.gz LQNWFLIEKVSQAM-GOEBONIOSA-N -1 0 349.471 3.660 20 0 EHADRM Cc1cccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1Br ZINC000131933339 958757354 /nfs/dbraw/zinc/75/73/54/958757354.db2.gz QPSLAYFANAPBOD-GHMZBOCLSA-N -1 0 340.217 3.587 20 0 EHADRM CC[C@H](C)CN(C)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000132496360 958786295 /nfs/dbraw/zinc/78/62/95/958786295.db2.gz FYJVRBWTQKFPRE-VIFPVBQESA-N -1 0 343.221 3.657 20 0 EHADRM CC[C@@H]1CCC[C@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000391839160 972381468 /nfs/dbraw/zinc/38/14/68/972381468.db2.gz URJDKRGBGRBRDA-ZJUUUORDSA-N -1 0 326.343 3.753 20 0 EHADRM Cc1cccc(C2(CNC(=O)C3(C(=O)[O-])CCC3)CCCCC2)c1 ZINC001594401530 958859959 /nfs/dbraw/zinc/85/99/59/958859959.db2.gz PUIURGHLSRCRAV-UHFFFAOYSA-N -1 0 329.440 3.568 20 0 EHADRM Cc1cc(C(=O)Nc2ccccc2C(=O)[O-])ccc1Br ZINC000137437628 958925224 /nfs/dbraw/zinc/92/52/24/958925224.db2.gz NTFIUQBOLGULKB-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM CC(C)(C)c1ccc(CCC(=O)Nc2ccnc(C(=O)[O-])c2)cc1 ZINC001573463045 958926694 /nfs/dbraw/zinc/92/66/94/958926694.db2.gz WOSUTPRSRULANN-UHFFFAOYSA-N -1 0 326.396 3.649 20 0 EHADRM C[C@@H](C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1)c1cccc(F)c1 ZINC000139446391 958968668 /nfs/dbraw/zinc/96/86/68/958968668.db2.gz USKJHZZSJHMBJM-DYVFJYSZSA-N -1 0 329.371 3.652 20 0 EHADRM Cc1ccccc1[C@H](C)N(CC(C)C)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594415811 959000791 /nfs/dbraw/zinc/00/07/91/959000791.db2.gz ORFJVZUBDUQWGV-JYJNAYRXSA-N -1 0 332.444 3.587 20 0 EHADRM C[C@H](C(=O)N1CCC[C@H](CC(=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC001588548526 959006076 /nfs/dbraw/zinc/00/60/76/959006076.db2.gz PRWMBIXNMNOYMY-NWDGAFQWSA-N -1 0 343.345 3.522 20 0 EHADRM C[C@H](C(=O)N1CCC[C@@H](C)[C@H]1C(=O)[O-])c1ccc2ccccc2c1 ZINC001588548499 959007323 /nfs/dbraw/zinc/00/73/23/959007323.db2.gz PJVJXLMASQMSSZ-GLJUWKHASA-N -1 0 325.408 3.655 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)Nc2ccc3ccccc3c2)C1 ZINC000391955424 972394300 /nfs/dbraw/zinc/39/43/00/972394300.db2.gz FIJLJLMTVYQQPY-CQSZACIVSA-N -1 0 326.396 3.949 20 0 EHADRM C[C@@H](C(=O)N1CCCC[C@@H]1CCC(=O)[O-])c1cn(C)c2ccccc12 ZINC001588551087 959018463 /nfs/dbraw/zinc/01/84/63/959018463.db2.gz QIDPYNYRZGZTRR-HUUCEWRRSA-N -1 0 342.439 3.528 20 0 EHADRM C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C(=O)[O-])c1ccccc1C(F)(F)F ZINC001588551733 959031229 /nfs/dbraw/zinc/03/12/29/959031229.db2.gz LSZOCSXJDDGYFP-UHIISALHSA-N -1 0 343.345 3.663 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H](C)CCc1ccccc1 ZINC000391976507 972396041 /nfs/dbraw/zinc/39/60/41/972396041.db2.gz FNXGVRYUUIJMNI-AWEZNQCLSA-N -1 0 326.396 3.836 20 0 EHADRM CC(C)Cn1cc(C(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])c2ccccc21 ZINC001573543448 959193392 /nfs/dbraw/zinc/19/33/92/959193392.db2.gz FEJYHSBAWTUQLG-KDOFPFPSSA-N -1 0 342.439 3.623 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]1 ZINC001588575126 959213205 /nfs/dbraw/zinc/21/32/05/959213205.db2.gz FJLNIDUXZDYPFA-VIFPVBQESA-N -1 0 343.770 3.543 20 0 EHADRM C[C@@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccc(Cl)s1 ZINC001594200643 959246701 /nfs/dbraw/zinc/24/67/01/959246701.db2.gz DZWYNVXBUVHURO-LSFDQVSLSA-N -1 0 325.773 3.583 20 0 EHADRM C[C@@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccc(F)cc1Cl ZINC001594200831 959250013 /nfs/dbraw/zinc/25/00/13/959250013.db2.gz OVPCZTZMRZVKDJ-WQAKUFEDSA-N -1 0 337.734 3.661 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)Cc1cccc3ccccc31)CC2 ZINC000165959211 959297468 /nfs/dbraw/zinc/29/74/68/959297468.db2.gz CTTNQRNGOPLKBJ-UHFFFAOYSA-N -1 0 345.398 3.665 20 0 EHADRM C[C@@H](OC(=O)[C@@H](C)C(=O)[O-])c1ccccc1OCc1ccc(F)cc1 ZINC001588585465 959303640 /nfs/dbraw/zinc/30/36/40/959303640.db2.gz MNSAULAKWLGHFZ-QWHCGFSZSA-N -1 0 346.354 3.730 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)O[C@@H](C)c1ccccc1OCc1ccc(F)cc1 ZINC001588585466 959303704 /nfs/dbraw/zinc/30/37/04/959303704.db2.gz MNSAULAKWLGHFZ-STQMWFEESA-N -1 0 346.354 3.730 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@@H](C)[C@H]1C(=O)[O-])Cc1ccc(Cl)cc1 ZINC001573576989 959334642 /nfs/dbraw/zinc/33/46/42/959334642.db2.gz SADVRRZGJJHNMB-AHIWAGSCSA-N -1 0 337.847 3.620 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001594450051 959363028 /nfs/dbraw/zinc/36/30/28/959363028.db2.gz ZFHDQOBOZZGFGK-NSHDSACASA-N -1 0 326.462 3.584 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCc3cc(C(=O)[O-])ccc32)o1 ZINC000392214259 972427515 /nfs/dbraw/zinc/42/75/15/972427515.db2.gz ULNJNZURCIUWBP-WBMJQRKESA-N -1 0 339.391 3.623 20 0 EHADRM C[C@@H](C(=O)[O-])N(c1nc(-c2ccccc2)nc2ccccc21)C1CC1 ZINC001588597842 959397756 /nfs/dbraw/zinc/39/77/56/959397756.db2.gz UTXWKXAAECXOCN-ZDUSSCGKSA-N -1 0 333.391 3.739 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000177482292 959421171 /nfs/dbraw/zinc/42/11/71/959421171.db2.gz XBMVNCJIAWRKBU-ZDUSSCGKSA-N -1 0 335.281 3.534 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000177482758 959421710 /nfs/dbraw/zinc/42/17/10/959421710.db2.gz BQKPAGYGNOOZCG-ZDUSSCGKSA-N -1 0 347.823 3.891 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2cc(Br)cs2)c1 ZINC000181871592 959441235 /nfs/dbraw/zinc/44/12/35/959441235.db2.gz MCVZEZXRSBKCCQ-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM O=C([O-])c1coc(C(=O)N(C2CC2)[C@H]2CCCc3ccccc32)c1 ZINC000183765799 959446736 /nfs/dbraw/zinc/44/67/36/959446736.db2.gz ZKQXUXIVLIITOT-INIZCTEOSA-N -1 0 325.364 3.660 20 0 EHADRM COc1cc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)ccc1Cl ZINC000190609289 959514178 /nfs/dbraw/zinc/51/41/78/959514178.db2.gz AXWWOHVBHVUEFE-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)c1oc2c(ccc3ccccc23)c1C ZINC000190699050 959519085 /nfs/dbraw/zinc/51/90/85/959519085.db2.gz NOPLSWFAACRECQ-UHFFFAOYSA-N -1 0 325.364 3.831 20 0 EHADRM C[C@@](NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC001573622411 959519624 /nfs/dbraw/zinc/51/96/24/959519624.db2.gz JMYIZJPJAMLQBM-FCEWJHQRSA-N -1 0 343.810 3.560 20 0 EHADRM C[C@](NC(=O)c1ccc(-c2ccccc2)o1)(C(=O)[O-])c1ccccc1 ZINC001573622815 959523786 /nfs/dbraw/zinc/52/37/86/959523786.db2.gz OTPWKELXPOHUHA-HXUWFJFHSA-N -1 0 335.359 3.676 20 0 EHADRM O=C([O-])c1cccc(NC(=O)C2(c3ccc(F)cc3F)CCC2)c1 ZINC000190877216 959525871 /nfs/dbraw/zinc/52/58/71/959525871.db2.gz VTTRSBNFHXKTJY-UHFFFAOYSA-N -1 0 331.318 3.723 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000190931895 959530432 /nfs/dbraw/zinc/53/04/32/959530432.db2.gz FGOYGQQFECCPRL-NSHDSACASA-N -1 0 325.364 3.687 20 0 EHADRM Cc1cccc(C[C@@H](CNC(=O)c2cccc(C)c2Cl)C(=O)[O-])c1 ZINC000190987747 959533595 /nfs/dbraw/zinc/53/35/95/959533595.db2.gz IEYRZBNJJNSKCW-HNNXBMFYSA-N -1 0 345.826 3.630 20 0 EHADRM COc1ccc(CCC(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000191413140 959561994 /nfs/dbraw/zinc/56/19/94/959561994.db2.gz MNTSHUIEDYLZST-CQSZACIVSA-N -1 0 341.407 3.530 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1)C(=O)[O-] ZINC000191411546 959562382 /nfs/dbraw/zinc/56/23/82/959562382.db2.gz PIFIZOBCVSYWIM-LLVKDONJSA-N -1 0 349.333 3.804 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)CCCOc2ccccc2)cc1)C(=O)[O-] ZINC000191438586 959568521 /nfs/dbraw/zinc/56/85/21/959568521.db2.gz DFEYKAZDJDBCOK-HNNXBMFYSA-N -1 0 341.407 3.748 20 0 EHADRM Cc1ncsc1C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2 ZINC001594474715 959578688 /nfs/dbraw/zinc/57/86/88/959578688.db2.gz HYBVEEUXTUMPJT-ZETCQYMHSA-N -1 0 336.438 3.588 20 0 EHADRM C[C@@H](NC(=O)c1cc(C(=O)[O-])co1)c1ccc(-c2cccnc2)cc1 ZINC000191646526 959587593 /nfs/dbraw/zinc/58/75/93/959587593.db2.gz KBCHRKNTZWWRBB-GFCCVEGCSA-N -1 0 336.347 3.531 20 0 EHADRM C[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1)c1ccccc1 ZINC000192920222 959596114 /nfs/dbraw/zinc/59/61/14/959596114.db2.gz LLEFGDHVFXDHLD-KUHUBIRLSA-N -1 0 333.387 3.885 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H](C)c2ccccc2)cc1 ZINC000192896047 959596947 /nfs/dbraw/zinc/59/69/47/959596947.db2.gz KVCDMPSXVQVLPV-CXAGYDPISA-N -1 0 343.448 3.844 20 0 EHADRM Cc1cc(C)cc(C2=CCN(C(=O)CC(C)(C)CC(=O)[O-])CC2)c1 ZINC000193022261 959607055 /nfs/dbraw/zinc/60/70/55/959607055.db2.gz HJCRIJHKRZSNBL-UHFFFAOYSA-N -1 0 329.440 3.810 20 0 EHADRM Cc1ccc(SCc2cccc(C(=O)N(C)CC(=O)[O-])c2)c(C)c1 ZINC000194780938 959619903 /nfs/dbraw/zinc/61/99/03/959619903.db2.gz UZKZOEDFXBLUFW-UHFFFAOYSA-N -1 0 343.448 3.752 20 0 EHADRM Cc1c(F)c(C(F)(F)F)ccc1C(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC001594256505 959650541 /nfs/dbraw/zinc/65/05/41/959650541.db2.gz HGIDISYGWVRFQQ-SNVBAGLBSA-N -1 0 347.308 3.622 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC001594256458 959650700 /nfs/dbraw/zinc/65/07/00/959650700.db2.gz CUUXJXGRIJTMLO-YMTOWFKASA-N -1 0 335.400 3.674 20 0 EHADRM Cc1c2ccccc2oc1CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001594261964 959699577 /nfs/dbraw/zinc/69/95/77/959699577.db2.gz MWBJZSYOQSHMMO-AWEZNQCLSA-N -1 0 346.427 3.677 20 0 EHADRM Cc1c2occ(CC(=O)N3CCC[C@@H](C)[C@@H]3C(=O)[O-])c2ccc1Cl ZINC001594262251 959704283 /nfs/dbraw/zinc/70/42/83/959704283.db2.gz AKHQDIOBRCFZIH-QLJPJBMISA-N -1 0 349.814 3.649 20 0 EHADRM Cc1c2occ(CC(=O)N3CCC[C@@H](C)[C@H]3C(=O)[O-])c2ccc1Cl ZINC001594262240 959705674 /nfs/dbraw/zinc/70/56/74/959705674.db2.gz AKHQDIOBRCFZIH-HWPZZCPQSA-N -1 0 349.814 3.649 20 0 EHADRM Cc1c(Cl)cc2c(c1Cl)CCCN2C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001594263079 959717059 /nfs/dbraw/zinc/71/70/59/959717059.db2.gz SUAXNBKUYXCYIS-VHSXEESVSA-N -1 0 342.222 3.692 20 0 EHADRM CC(C)(C)[C@H]1CCC[C@@H](NC(=O)C2(C(=O)[O-])CCSCC2)CC1 ZINC001588643779 959719300 /nfs/dbraw/zinc/71/93/00/959719300.db2.gz VIJQHLMTTVKANM-UONOGXRCSA-N -1 0 341.517 3.696 20 0 EHADRM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001594266237 959740857 /nfs/dbraw/zinc/74/08/57/959740857.db2.gz GECVDVKGHQTFPJ-YOEHRIQHSA-N -1 0 334.460 3.681 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)Nc1cccc2cccnc21)C(=O)[O-] ZINC001588650567 959762575 /nfs/dbraw/zinc/76/25/75/959762575.db2.gz LWHVWNACINXVPS-AWEZNQCLSA-N -1 0 329.400 3.636 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC001573697916 959795986 /nfs/dbraw/zinc/79/59/86/959795986.db2.gz GYSCWZYDUNDCJF-BZZMCLGOSA-N -1 0 329.440 3.530 20 0 EHADRM Cc1cc(Br)cc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000232048124 960242001 /nfs/dbraw/zinc/24/20/01/960242001.db2.gz CHTJMMYTAGHIKV-QWRGUYRKSA-N -1 0 340.217 3.587 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)o1 ZINC000232180342 960252060 /nfs/dbraw/zinc/25/20/60/960252060.db2.gz JCLKOIYHSUYPMY-UHFFFAOYSA-N -1 0 344.548 3.646 20 0 EHADRM O=C([O-])c1ccc2c(c1)N(C(=O)CCSc1ccccc1F)CC2 ZINC000392525805 972493822 /nfs/dbraw/zinc/49/38/22/972493822.db2.gz NNFXALCQEGFHGH-UHFFFAOYSA-N -1 0 345.395 3.595 20 0 EHADRM O=C([O-])c1ccc2c(c1)N(C(=O)c1cc3c(cccc3F)s1)CC2 ZINC000392578893 972499481 /nfs/dbraw/zinc/49/94/81/972499481.db2.gz XWTZEHCZCNUUCK-UHFFFAOYSA-N -1 0 341.363 3.942 20 0 EHADRM C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)NCCC(C)(C)C(=O)[O-] ZINC001573725327 960398018 /nfs/dbraw/zinc/39/80/18/960398018.db2.gz CVWWUWZURNZLMC-XJKSGUPXSA-N -1 0 332.444 3.500 20 0 EHADRM C[C@@H]1CCN(C(=O)C(C)(C)c2cccc3ccccc32)C[C@@H]1C(=O)[O-] ZINC001573725690 960402640 /nfs/dbraw/zinc/40/26/40/960402640.db2.gz GYBGHQTXIUXVPT-PBHICJAKSA-N -1 0 339.435 3.687 20 0 EHADRM CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1sc2c(c1C(=O)[O-])COCC2 ZINC001588658049 960420638 /nfs/dbraw/zinc/42/06/38/960420638.db2.gz NMQSNDNIZXXRCU-VHSXEESVSA-N -1 0 337.441 3.530 20 0 EHADRM Cc1cc(NC(=O)CC(C)(C)CC(=O)[O-])cc(C)c1Br ZINC000235749431 960488154 /nfs/dbraw/zinc/48/81/54/960488154.db2.gz GHHDKNOFXMKZET-UHFFFAOYSA-N -1 0 342.233 3.895 20 0 EHADRM Cc1ccccc1OCCCC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000392650244 972506672 /nfs/dbraw/zinc/50/66/72/972506672.db2.gz HAFVZLABYNZWOV-UHFFFAOYSA-N -1 0 349.333 3.769 20 0 EHADRM C[C@@H](Oc1cccc2ccccc21)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC001603280391 972507209 /nfs/dbraw/zinc/50/72/09/972507209.db2.gz SZNUDLGWTWQIRR-KUHUBIRLSA-N -1 0 349.386 3.549 20 0 EHADRM O=C([O-])c1ccc(CN2CCc3ccc(C(F)(F)F)cc3C2)o1 ZINC001140946546 960503268 /nfs/dbraw/zinc/50/32/68/960503268.db2.gz PEYOMUBOQJJSFH-UHFFFAOYSA-N -1 0 325.286 3.555 20 0 EHADRM CSCCc1ccccc1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001574256904 960535848 /nfs/dbraw/zinc/53/58/48/960535848.db2.gz DRVZXNZYXLUEIQ-UHFFFAOYSA-N -1 0 344.436 3.612 20 0 EHADRM O=C([O-])[C@H]1CCCCN1Cc1ccc(Br)c(Cl)c1 ZINC000236440232 960602297 /nfs/dbraw/zinc/60/22/97/960602297.db2.gz PTPZLBDBQPRGJM-GFCCVEGCSA-N -1 0 332.625 3.542 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc(Cl)sc1Cl)c1cccs1 ZINC000236442585 960606681 /nfs/dbraw/zinc/60/66/81/960606681.db2.gz NGFPNWUEVVWWQM-QMMMGPOBSA-N -1 0 336.221 3.672 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)C(=O)c1ccccc1SCc1ccco1 ZINC001573767524 960626203 /nfs/dbraw/zinc/62/62/03/960626203.db2.gz DIXJBPNEUMKDIE-CQSZACIVSA-N -1 0 333.409 3.507 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2cccc(Cl)c2)cc1 ZINC001253130764 960639791 /nfs/dbraw/zinc/63/97/91/960639791.db2.gz APRZADSCIZVLBG-MRXNPFEDSA-N -1 0 331.799 3.523 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)N2CCc3c(cccc3C(=O)[O-])C2)cc1 ZINC000392794328 972523452 /nfs/dbraw/zinc/52/34/52/972523452.db2.gz HHEDJXLNNGTBEG-AWEZNQCLSA-N -1 0 338.407 3.522 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)cc1 ZINC001573776759 960697360 /nfs/dbraw/zinc/69/73/60/960697360.db2.gz QCNLFHYQIYFYNB-CABCVRRESA-N -1 0 335.444 3.731 20 0 EHADRM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000392811206 972526232 /nfs/dbraw/zinc/52/62/32/972526232.db2.gz XMKOHSQTZJOORK-JQWIXIFHSA-N -1 0 340.370 3.999 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)CCc1ccccc1F ZINC000236623553 960717784 /nfs/dbraw/zinc/71/77/84/960717784.db2.gz LWLOSKMAHWDERY-UHFFFAOYSA-N -1 0 345.370 3.882 20 0 EHADRM CC(C)(C)c1ncc(/C=C/C(=O)Nc2cccc(C(=O)[O-])c2)s1 ZINC000236638985 960721571 /nfs/dbraw/zinc/72/15/71/960721571.db2.gz VKEKDMNRKYHLQL-BQYQJAHWSA-N -1 0 330.409 3.791 20 0 EHADRM Cc1c(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)noc1C(C)(C)C ZINC001574303862 960727398 /nfs/dbraw/zinc/72/73/98/960727398.db2.gz FDVVHWVELFPPRO-LBPRGKRZSA-N -1 0 339.436 3.539 20 0 EHADRM CC(C)c1ccc(CN(C(=O)c2ccc(C(=O)[O-])nc2)C2CC2)cc1 ZINC000236711657 960740034 /nfs/dbraw/zinc/74/00/34/960740034.db2.gz VWWAJZJHLPGUPN-UHFFFAOYSA-N -1 0 338.407 3.708 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000236721217 960742645 /nfs/dbraw/zinc/74/26/45/960742645.db2.gz NCKOEBHYRLKUOC-UHFFFAOYSA-N -1 0 339.435 3.855 20 0 EHADRM CC1(C)CN(C(=O)c2ccc(C(=O)[O-])cc2)c2cccc(Cl)c21 ZINC000236752594 960751220 /nfs/dbraw/zinc/75/12/20/960751220.db2.gz XJASWHXWSCHMFM-UHFFFAOYSA-N -1 0 329.783 3.976 20 0 EHADRM C[C@H](CC(=O)N(C)C(C)(C)CC(=O)[O-])c1ccccc1C(F)(F)F ZINC001261762989 960758449 /nfs/dbraw/zinc/75/84/49/960758449.db2.gz NLYZWMDFPLZJRE-LLVKDONJSA-N -1 0 345.361 3.911 20 0 EHADRM Cc1cc(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)c2nccc(C)c2c1 ZINC001574312749 960771143 /nfs/dbraw/zinc/77/11/43/960771143.db2.gz VMENZROGHBYQBQ-NRFANRHFSA-N -1 0 348.402 3.581 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)C23CCC3)c1 ZINC001574315307 960779547 /nfs/dbraw/zinc/77/95/47/960779547.db2.gz LDQPDMWIERXRTO-JKSUJKDBSA-N -1 0 345.439 3.549 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)/C=C(/C)c1ccc(C(F)(F)F)cc1 ZINC000236918701 960800237 /nfs/dbraw/zinc/80/02/37/960800237.db2.gz WDHGWZSJNUXJED-MMRAYRKESA-N -1 0 343.345 3.820 20 0 EHADRM CCC[C@@](C)(NC(=O)c1ccc(OCc2ccccc2)cc1)C(=O)[O-] ZINC000236978717 960822079 /nfs/dbraw/zinc/82/20/79/960822079.db2.gz PJHKSSIEIURINH-HXUWFJFHSA-N -1 0 341.407 3.639 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N[C@](C)(CC)CC(=O)[O-])o2)cc1 ZINC000236989162 960824926 /nfs/dbraw/zinc/82/49/26/960824926.db2.gz AMNHKEYAAILLOE-LJQANCHMSA-N -1 0 329.396 3.882 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(OC)c(-c2ccccc2)c1 ZINC000237046741 960852464 /nfs/dbraw/zinc/85/24/64/960852464.db2.gz ZOZGCPOIZOXEIU-FQEVSTJZSA-N -1 0 341.407 3.735 20 0 EHADRM CC(C)c1[nH]ccc1C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC001263630442 960878871 /nfs/dbraw/zinc/87/88/71/960878871.db2.gz MRKNIZKTDDEIRZ-UHFFFAOYSA-N -1 0 336.775 3.507 20 0 EHADRM COc1ccc([C@@H](NC(=O)c2ccc(C(=O)[O-])cc2)C(C)C)cc1 ZINC000237218767 960889214 /nfs/dbraw/zinc/88/92/14/960889214.db2.gz MIAFMQQRXVDJLN-KRWDZBQOSA-N -1 0 327.380 3.521 20 0 EHADRM COc1ccc(-c2cc(C(=O)N[C@@H](C(=O)[O-])C(C)C)sc2C)cc1 ZINC000237281884 960904298 /nfs/dbraw/zinc/90/42/98/960904298.db2.gz CFEDXHYWVUMPJR-MRXNPFEDSA-N -1 0 347.436 3.571 20 0 EHADRM Cc1ccc(N(C)C(=O)c2ccccc2S[C@H](C)C(=O)[O-])cc1 ZINC000237367625 960919882 /nfs/dbraw/zinc/91/98/82/960919882.db2.gz CAFBJRZTIXCPKC-CYBMUJFWSA-N -1 0 329.421 3.837 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000237370833 960920636 /nfs/dbraw/zinc/92/06/36/960920636.db2.gz QSBDVNQVGXXDQP-RDTXWAMCSA-N -1 0 329.440 3.631 20 0 EHADRM CC[C@H](OC(=O)c1coc(/C=C/C(=O)[O-])c1)c1ccc(OC)cc1 ZINC001573814092 960920784 /nfs/dbraw/zinc/92/07/84/960920784.db2.gz TZOWYUWMTBRGKY-FDMDGMSGSA-N -1 0 330.336 3.694 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(Cn2cccc2)cc1 ZINC001319222833 960930091 /nfs/dbraw/zinc/93/00/91/960930091.db2.gz YOGRFCJZUUHCBT-UHFFFAOYSA-N -1 0 334.375 3.795 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)Cc1ccccc1OC(C)C ZINC001319324100 960940327 /nfs/dbraw/zinc/94/03/27/960940327.db2.gz FVPHGGFUNJMVPW-UHFFFAOYSA-N -1 0 327.380 3.662 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)Cc1ccccc1Br ZINC001319325584 960942322 /nfs/dbraw/zinc/94/23/22/960942322.db2.gz VSXRGZLQUMNCPQ-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM Cc1cc(NC(=O)c2ncoc2-c2ccc(F)cc2)ccc1C(=O)[O-] ZINC001574343309 960950291 /nfs/dbraw/zinc/95/02/91/960950291.db2.gz OWSJLJURWYYOQP-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])s1)c1cccc(OC(F)F)c1 ZINC000237524667 960952705 /nfs/dbraw/zinc/95/27/05/960952705.db2.gz OITCSVOJHQKPMY-MRVPVSSYSA-N -1 0 341.335 3.539 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2ccc(C(=O)[O-])s2)C2CC2)o1 ZINC000237664411 960988825 /nfs/dbraw/zinc/98/88/25/960988825.db2.gz HQQOFVQLCBKZKI-GXFFZTMASA-N -1 0 345.420 3.968 20 0 EHADRM Cc1ccc(Br)cc1NC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001574351379 960990972 /nfs/dbraw/zinc/99/09/72/960990972.db2.gz SEZREDKEFJGYRB-ZDUSSCGKSA-N -1 0 340.217 3.587 20 0 EHADRM Cc1cc(NC(=O)CCCc2ccc(F)c(F)c2)ccc1C(=O)[O-] ZINC000237699336 961000637 /nfs/dbraw/zinc/00/06/37/961000637.db2.gz XPDWGIMZNIMDIL-UHFFFAOYSA-N -1 0 333.334 3.933 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(Cl)ccc2C)cc1 ZINC001321658016 961002794 /nfs/dbraw/zinc/00/27/94/961002794.db2.gz MDRQPEUHNCNWBB-MRXNPFEDSA-N -1 0 331.799 3.903 20 0 EHADRM CCc1oc2ccccc2c1C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001321954201 961004281 /nfs/dbraw/zinc/00/42/81/961004281.db2.gz PCZQNDRQYUTMDH-CYBMUJFWSA-N -1 0 343.423 3.958 20 0 EHADRM COc1ccc2cc(C(=O)N[C@@]3(C)CCCC[C@@H]3C(=O)[O-])ccc2c1 ZINC001321953502 961004969 /nfs/dbraw/zinc/00/49/69/961004969.db2.gz GDQQRDUHDKOULT-XLIONFOSSA-N -1 0 341.407 3.612 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc3cc(C)ccc3[nH]2)cc1 ZINC001322656288 961009334 /nfs/dbraw/zinc/00/93/34/961009334.db2.gz HUXSIMCTPOWPTF-KRWDZBQOSA-N -1 0 336.391 3.731 20 0 EHADRM Cc1ccc([C@H]2CCN(C(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)C2(C)C)cc1 ZINC001574360485 961024126 /nfs/dbraw/zinc/02/41/26/961024126.db2.gz AQRDXGAHEYPJQF-GVDBMIGSSA-N -1 0 329.440 3.590 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3coc(/C=C/C(=O)[O-])c3)C2)cc1 ZINC001574361496 961028712 /nfs/dbraw/zinc/02/87/12/961028712.db2.gz LSJNVCQKQJELGI-WIPWUNCGSA-N -1 0 339.391 3.704 20 0 EHADRM Cc1ccc2oc(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)cc2c1 ZINC000237835494 961031327 /nfs/dbraw/zinc/03/13/27/961031327.db2.gz GDTSLQOFRHDZEW-QEJZJMRPSA-N -1 0 327.380 3.599 20 0 EHADRM Cc1ccc(CN(CC2CC2)C(=O)Nc2cccc(C(=O)[O-])c2)cn1 ZINC001574366426 961038056 /nfs/dbraw/zinc/03/80/56/961038056.db2.gz DYFJDTJRWWEPBQ-UHFFFAOYSA-N -1 0 339.395 3.532 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1ccc(C(=O)[O-])s1 ZINC000237901801 961039656 /nfs/dbraw/zinc/03/96/56/961039656.db2.gz CAWXKCQWKMWJGY-NSHDSACASA-N -1 0 333.409 3.791 20 0 EHADRM Cc1ccc(CNC(=O)[C@H](C(=O)[O-])C(C)(C)C)c(OC(C)(C)C)c1 ZINC001574366702 961042650 /nfs/dbraw/zinc/04/26/50/961042650.db2.gz PMUZWZBLDCJBJY-OAHLLOKOSA-N -1 0 335.444 3.535 20 0 EHADRM Cc1cc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c(C)n1CC1CC1 ZINC001325583592 961056130 /nfs/dbraw/zinc/05/61/30/961056130.db2.gz ZEUGATPERUVTEE-ZDUSSCGKSA-N -1 0 340.423 3.955 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)o1 ZINC000238026879 961081084 /nfs/dbraw/zinc/08/10/84/961081084.db2.gz FKBVGGKSEWUBBD-HNNXBMFYSA-N -1 0 333.771 3.902 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(Oc3ccccc3)c2)cn1 ZINC000238055874 961090181 /nfs/dbraw/zinc/09/01/81/961090181.db2.gz GLOGERAZEYSPFA-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCc2ccccc2Br)cc1 ZINC000238112589 961102708 /nfs/dbraw/zinc/10/27/08/961102708.db2.gz BTKRTQBFPFEAQH-UHFFFAOYSA-N -1 0 348.196 3.719 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1cnc(-c2ccccc2)s1 ZINC000238134550 961121773 /nfs/dbraw/zinc/12/17/73/961121773.db2.gz NGBAGFYLXMTRRM-UHFFFAOYSA-N -1 0 332.425 3.575 20 0 EHADRM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21 ZINC001588738116 961136256 /nfs/dbraw/zinc/13/62/56/961136256.db2.gz BGVPPQAZNAZQDD-NUEKZKHPSA-N -1 0 329.440 3.739 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1ccc(COc2ccccc2)cc1 ZINC000238162224 961136849 /nfs/dbraw/zinc/13/68/49/961136849.db2.gz SQFJKJCMDWEKRP-UHFFFAOYSA-N -1 0 341.407 3.640 20 0 EHADRM CC(C)(C)c1ccc(C2(CNC(=O)NCCCC(=O)[O-])CCC2)cc1 ZINC001588739800 961160755 /nfs/dbraw/zinc/16/07/55/961160755.db2.gz VDNIEMWDIUAOEA-UHFFFAOYSA-N -1 0 346.471 3.570 20 0 EHADRM CCOCc1ccc(NC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC001327595212 961172499 /nfs/dbraw/zinc/17/24/99/961172499.db2.gz FFEUZWZAMVTCMU-UHFFFAOYSA-N -1 0 333.771 3.827 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000243561883 961181883 /nfs/dbraw/zinc/18/18/83/961181883.db2.gz OMMHCWMXYZUAHM-UHFFFAOYSA-N -1 0 330.453 3.640 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H]2c2cccc(Cl)c2)C1 ZINC000245745590 961191510 /nfs/dbraw/zinc/19/15/10/961191510.db2.gz SKUZVSHTEAQBAL-FMKPAKJESA-N -1 0 335.831 3.895 20 0 EHADRM CN(C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)C(C)(C)CC(=O)[O-] ZINC001328493426 961210799 /nfs/dbraw/zinc/21/07/99/961210799.db2.gz HJWRCGUFNPAQIA-QWHCGFSZSA-N -1 0 344.238 3.809 20 0 EHADRM COc1ccccc1-c1ccc(C(=O)N(C)C(C)(C)CC(=O)[O-])s1 ZINC001330252822 961335817 /nfs/dbraw/zinc/33/58/17/961335817.db2.gz KKFHMSYUSFJBCV-UHFFFAOYSA-N -1 0 347.436 3.749 20 0 EHADRM Cc1ncc(C(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)s1 ZINC001574426514 961367613 /nfs/dbraw/zinc/36/76/13/961367613.db2.gz IJGQNHHCZKHBBV-ZETCQYMHSA-N -1 0 336.438 3.588 20 0 EHADRM Cc1ncc(C(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)s1 ZINC001574426513 961368385 /nfs/dbraw/zinc/36/83/85/961368385.db2.gz IJGQNHHCZKHBBV-SSDOTTSWSA-N -1 0 336.438 3.588 20 0 EHADRM COc1cc(NC(=O)c2csc3c2CCCC3)ccc1C(=O)[O-] ZINC000261626190 961383613 /nfs/dbraw/zinc/38/36/13/961383613.db2.gz CPKMUOKTRXECMY-UHFFFAOYSA-N -1 0 331.393 3.586 20 0 EHADRM Cc1cccc(CSCC(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC000261659877 961386568 /nfs/dbraw/zinc/38/65/68/961386568.db2.gz KORYSQZCGUYENJ-UHFFFAOYSA-N -1 0 343.448 3.884 20 0 EHADRM CC(C)=CCC[C@@H](C)NC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001588797408 961404232 /nfs/dbraw/zinc/40/42/32/961404232.db2.gz MSXDQVPUUIYGCJ-BPQIPLTHSA-N -1 0 344.455 3.631 20 0 EHADRM Cn1ccc(C(=O)Nc2cccc(CC(=O)[O-])c2)c1-c1ccccc1 ZINC001574456851 961520032 /nfs/dbraw/zinc/52/00/32/961520032.db2.gz VSXHKZWOSRFQDB-UHFFFAOYSA-N -1 0 334.375 3.572 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000262191729 961537450 /nfs/dbraw/zinc/53/74/50/961537450.db2.gz NKYPIESJVUBYDP-DNVCBOLYSA-N -1 0 337.419 3.699 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(CC)C(=O)Cc1ccccc1C(=O)[O-] ZINC000262212254 961557971 /nfs/dbraw/zinc/55/79/71/961557971.db2.gz UICRMICFHBKGOB-SFHVURJKSA-N -1 0 339.435 3.797 20 0 EHADRM CC[C@@H](NC(=O)c1coc(/C=C\C(=O)[O-])c1)c1ccc(C)c(F)c1 ZINC001573936448 961597219 /nfs/dbraw/zinc/59/72/19/961597219.db2.gz ZMQYMCUAOGVLIC-MWWKQMNYSA-N -1 0 331.343 3.706 20 0 EHADRM CCc1ccc(C(C)(C)CNC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC001573954113 961659765 /nfs/dbraw/zinc/65/97/65/961659765.db2.gz HCDPKJVZFDKKPJ-ZRDIBKRKSA-N -1 0 341.407 3.647 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N[C@H](CC(C)C)C(=O)[O-])o2)cc1 ZINC001573954551 961663425 /nfs/dbraw/zinc/66/34/25/961663425.db2.gz NYHTYYOSQNKJMG-OAHLLOKOSA-N -1 0 329.396 3.738 20 0 EHADRM Cc1c(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])cnn1C1CCCC1 ZINC001333351178 961695034 /nfs/dbraw/zinc/69/50/34/961695034.db2.gz SJFPMCOCBUTMAZ-UHFFFAOYSA-N -1 0 349.475 3.516 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000262424543 961712014 /nfs/dbraw/zinc/71/20/14/961712014.db2.gz RJWWRVUEKLIZNG-AWEZNQCLSA-N -1 0 341.407 3.845 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)/C=C/c1cc(Cl)cc(Cl)c1 ZINC001333549385 961717114 /nfs/dbraw/zinc/71/71/14/961717114.db2.gz BGWFNPQHTSQSKJ-MBVDDHJVSA-N -1 0 330.211 3.766 20 0 EHADRM CC(C)[C@@H](NC(=O)c1cc(C(=O)[O-])n[nH]1)c1ccc(C(C)(C)C)cc1 ZINC001588834602 961750879 /nfs/dbraw/zinc/75/08/79/961750879.db2.gz LLGKOHHJEORGSP-MRXNPFEDSA-N -1 0 343.427 3.533 20 0 EHADRM O=C([O-])CC1CC(Nc2ccc(OCC(F)(F)F)c(Cl)c2)C1 ZINC001334033922 961754534 /nfs/dbraw/zinc/75/45/34/961754534.db2.gz NYWAFHZEKICZRB-UHFFFAOYSA-N -1 0 337.725 3.946 20 0 EHADRM CSc1ccccc1CC(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001334153216 961761867 /nfs/dbraw/zinc/76/18/67/961761867.db2.gz AERKWFTWSLVYKI-INIZCTEOSA-N -1 0 343.448 3.592 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)CSC(C)(C)C ZINC000262593503 961783048 /nfs/dbraw/zinc/78/30/48/961783048.db2.gz IGQKFEVJLMNOQD-UHFFFAOYSA-N -1 0 325.430 3.642 20 0 EHADRM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000262666458 961800533 /nfs/dbraw/zinc/80/05/33/961800533.db2.gz ADRYNPQNCXUUPT-NSHDSACASA-N -1 0 330.384 3.739 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2CCC[C@@H]2c2ccccc2Cl)CC1 ZINC000262698415 961812521 /nfs/dbraw/zinc/81/25/21/961812521.db2.gz HANMOUHZBCITOV-XJKCOSOUSA-N -1 0 335.831 3.895 20 0 EHADRM CC(C)Oc1ccc([C@H](C)NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC000262756998 961851051 /nfs/dbraw/zinc/85/10/51/961851051.db2.gz ZALQMVBNRZVKLH-BPUTZDHNSA-N -1 0 333.428 3.542 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1cnc2c(F)cccc2c1 ZINC001335014895 961884306 /nfs/dbraw/zinc/88/43/06/961884306.db2.gz DCEYLHJZDXKSDW-UHFFFAOYSA-N -1 0 346.402 3.583 20 0 EHADRM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c1 ZINC000262821325 961889321 /nfs/dbraw/zinc/88/93/21/961889321.db2.gz AWGBVLRULSJFRW-KGLIPLIRSA-N -1 0 327.380 3.589 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000262828048 961894835 /nfs/dbraw/zinc/89/48/35/961894835.db2.gz FOZGYBDGLZYALO-IAGOWNOFSA-N -1 0 343.810 3.589 20 0 EHADRM CC[C@H](C(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1)c1ccccc1 ZINC000262837404 961904115 /nfs/dbraw/zinc/90/41/15/961904115.db2.gz GNTSCAYRMIVZGJ-FHWLQOOXSA-N -1 0 337.419 3.507 20 0 EHADRM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccc(C(=O)[O-])s1)[C@H]2C ZINC000262844530 961912296 /nfs/dbraw/zinc/91/22/96/961912296.db2.gz RPJDPAWXCMPSQT-MNOVXSKESA-N -1 0 345.420 3.603 20 0 EHADRM COc1ccc2c(c1)C[C@H](C)N(C(=O)c1ccc(C(=O)[O-])s1)[C@H]2C ZINC000262844531 961912416 /nfs/dbraw/zinc/91/24/16/961912416.db2.gz RPJDPAWXCMPSQT-QWRGUYRKSA-N -1 0 345.420 3.603 20 0 EHADRM CC(C)C[C@H](CNC(=O)NC[C@H](Cc1ccccc1)C(C)C)C(=O)[O-] ZINC001588853079 961954383 /nfs/dbraw/zinc/95/43/83/961954383.db2.gz VILHNIWTBNKBSS-ZWKOTPCHSA-N -1 0 348.487 3.547 20 0 EHADRM CC(C)[C@H](CC(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-])c1ccccc1 ZINC000262895681 961970012 /nfs/dbraw/zinc/97/00/12/961970012.db2.gz HTQNKVTWVOZYPP-DWRORGKVSA-N -1 0 329.440 3.528 20 0 EHADRM Cc1cc(C(=O)N(C)[C@@H](C)C(=O)[O-])sc1-c1cccc(Cl)c1 ZINC000262895751 961970152 /nfs/dbraw/zinc/97/01/52/961970152.db2.gz OVJCWFWDAATASA-JTQLQIEISA-N -1 0 337.828 3.922 20 0 EHADRM O=C([O-])C1(NC(=O)[C@@H]2CCC[C@H]2Cc2ccccc2)CCCCC1 ZINC001574549691 961970945 /nfs/dbraw/zinc/97/09/45/961970945.db2.gz NMVRGZPAHCFECB-DLBZAZTESA-N -1 0 329.440 3.549 20 0 EHADRM C[C@H](NC(=O)C[C@H]1CCC[C@@H](C)C1)c1ccc(OCC(=O)[O-])cc1 ZINC000262900213 961978082 /nfs/dbraw/zinc/97/80/82/961978082.db2.gz CXIYZXIDZKGLPK-ILXRZTDVSA-N -1 0 333.428 3.544 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)NCc2ccc(Cl)cc2Cl)CC1 ZINC000262926115 962009095 /nfs/dbraw/zinc/00/90/95/962009095.db2.gz LKYILPNQFFKVAY-MGCOHNPYSA-N -1 0 330.211 3.501 20 0 EHADRM CC(C)(CCNC(=O)CCCc1ccc2ccccc2c1)C(=O)[O-] ZINC000262940435 962024432 /nfs/dbraw/zinc/02/44/32/962024432.db2.gz HRFWAXJYBSLPMG-UHFFFAOYSA-N -1 0 327.424 3.780 20 0 EHADRM Cc1cc(C)cc(CCC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)c1 ZINC000262968466 962055526 /nfs/dbraw/zinc/05/55/26/962055526.db2.gz PGXJEUCFFVABKY-UHFFFAOYSA-N -1 0 337.419 3.519 20 0 EHADRM Cc1c(C(=O)NC2(CC(=O)[O-])CCCC2)cccc1-c1ccccn1 ZINC000262974928 962062986 /nfs/dbraw/zinc/06/29/86/962062986.db2.gz SZWRJAQZPYNZFC-UHFFFAOYSA-N -1 0 338.407 3.574 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001339800787 962070851 /nfs/dbraw/zinc/07/08/51/962070851.db2.gz CHBSDLICRNWYDM-MSOLQXFVSA-N -1 0 346.471 3.540 20 0 EHADRM CC(C)[C@@H](CNC(=O)Cc1ccccc1C(=O)[O-])Cc1ccccc1 ZINC000262997056 962090667 /nfs/dbraw/zinc/09/06/67/962090667.db2.gz ONXBYULCULPFGF-GOSISDBHSA-N -1 0 339.435 3.558 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)CCc2ccccc2C)cc1 ZINC001340563426 962100942 /nfs/dbraw/zinc/10/09/42/962100942.db2.gz KHPQRJFYUISYEL-SFHVURJKSA-N -1 0 325.408 3.568 20 0 EHADRM CCC[C@H](CC1CCCC1)C(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000263005669 962103142 /nfs/dbraw/zinc/10/31/42/962103142.db2.gz MSSRRDYAAAMSJG-CZUORRHYSA-N -1 0 349.393 3.849 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC001340795497 962112695 /nfs/dbraw/zinc/11/26/95/962112695.db2.gz SPKWMDQGHAMTHL-TZMCWYRMSA-N -1 0 331.318 3.714 20 0 EHADRM CC(C)COc1ccc(NC(=O)[C@@H](C(=O)[O-])C(C)C)cc1Cl ZINC001588877618 962133312 /nfs/dbraw/zinc/13/33/12/962133312.db2.gz HNQDGDSUSDZDOQ-AWEZNQCLSA-N -1 0 327.808 3.670 20 0 EHADRM CC(C)COc1ccccc1[C@@H](CC(C)C)NC(=O)[C@H](C)C(=O)[O-] ZINC001588880330 962138136 /nfs/dbraw/zinc/13/81/36/962138136.db2.gz LXLRWTBAVYLWIF-GOEBONIOSA-N -1 0 335.444 3.646 20 0 EHADRM CC(C)C[C@@H](NC(=O)C(C)(C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001588881090 962147671 /nfs/dbraw/zinc/14/76/71/962147671.db2.gz PFVOUJOACAAKKO-CYBMUJFWSA-N -1 0 345.361 3.599 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc3c(c2)-c2ccccc2C3)ccn1 ZINC001574608953 962197398 /nfs/dbraw/zinc/19/73/98/962197398.db2.gz YISUDZQUAPERBZ-UHFFFAOYSA-N -1 0 330.343 3.603 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1ccc(C(F)F)c(F)c1)CC(=O)[O-] ZINC001588894213 962220768 /nfs/dbraw/zinc/22/07/68/962220768.db2.gz CCOWJUMNVXPHKR-JTQLQIEISA-N -1 0 331.334 3.630 20 0 EHADRM CCc1sc(C(=O)Nc2cc(COC)cc(C(=O)[O-])c2)cc1C ZINC000263077512 962221925 /nfs/dbraw/zinc/22/19/25/962221925.db2.gz KNCPCSNETLJJRB-UHFFFAOYSA-N -1 0 333.409 3.716 20 0 EHADRM CC1(C)C[C@H](C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CCO1 ZINC001345097149 962226272 /nfs/dbraw/zinc/22/62/72/962226272.db2.gz VIUOOGNXJJQODG-SNVBAGLBSA-N -1 0 333.409 3.743 20 0 EHADRM Cc1cccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1C(F)(F)F ZINC001345107462 962228832 /nfs/dbraw/zinc/22/88/32/962228832.db2.gz KERFBPAVOZVRHI-GFCCVEGCSA-N -1 0 343.345 3.731 20 0 EHADRM O=C([O-])[C@@H](C(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)C1CCCC1 ZINC001574617290 962233281 /nfs/dbraw/zinc/23/32/81/962233281.db2.gz PFGLNRDXXKDIJZ-FVQBIDKESA-N -1 0 335.831 3.593 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1nc(-c2ccccc2)cs1)CC(=O)[O-] ZINC001588895013 962233511 /nfs/dbraw/zinc/23/35/11/962233511.db2.gz VYIKDJUPJRGERD-ZDUSSCGKSA-N -1 0 346.452 3.677 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CC23CCCC3)C[C@H]1c1ccc(Cl)cc1 ZINC000263089285 962236602 /nfs/dbraw/zinc/23/66/02/962236602.db2.gz MRLHTSNJAQEJRY-ARFHVFGLSA-N -1 0 347.842 3.547 20 0 EHADRM CC(C)C[C@H](NC(=O)CCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC001588899272 962243315 /nfs/dbraw/zinc/24/33/15/962243315.db2.gz AZKSCUNTWRVRBM-ZDUSSCGKSA-N -1 0 332.227 3.542 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@H]1CC[C@H]1c1ccc(Cl)cc1F)C(=O)[O-] ZINC001588899320 962244525 /nfs/dbraw/zinc/24/45/25/962244525.db2.gz KXEWNBAOUAAXDZ-WHOFXGATSA-N -1 0 341.810 3.588 20 0 EHADRM CC(C)OCc1ccc(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1 ZINC000263106207 962258857 /nfs/dbraw/zinc/25/88/57/962258857.db2.gz DENGDIUDXGZHIL-UHFFFAOYSA-N -1 0 345.370 3.630 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)NCCC(C)(C)C(=O)[O-] ZINC000263113143 962265723 /nfs/dbraw/zinc/26/57/23/962265723.db2.gz UUVVZJMFBBGAJQ-UHFFFAOYSA-N -1 0 329.849 3.683 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)CCCc1cccc(C(F)(F)F)c1 ZINC000263130266 962284492 /nfs/dbraw/zinc/28/44/92/962284492.db2.gz LOVURVKVMHXQHD-UHFFFAOYSA-N -1 0 345.361 3.740 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000263140916 962294389 /nfs/dbraw/zinc/29/43/89/962294389.db2.gz MPEQXRNUBKMGDX-ZDUSSCGKSA-N -1 0 345.826 3.576 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccccc2-c2nccs2)C1 ZINC001345809467 962315956 /nfs/dbraw/zinc/31/59/56/962315956.db2.gz RYDRRDDLNVZNGR-NWDGAFQWSA-N -1 0 330.409 3.640 20 0 EHADRM CC(C)Cn1ncc(NC(=O)c2coc(/C=C\C(=O)[O-])c2)c1C(C)C ZINC001588911807 962323478 /nfs/dbraw/zinc/32/34/78/962323478.db2.gz ZVBONBPKUWBCOM-WAYWQWQTSA-N -1 0 345.399 3.606 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CC=C(c3cccc4ccccc43)CC2)C1 ZINC000263175635 962329598 /nfs/dbraw/zinc/32/95/98/962329598.db2.gz GNCWNEZAMIHWGC-ZWKOTPCHSA-N -1 0 349.430 3.956 20 0 EHADRM CC(C)N(C(=O)c1ccc(C(=O)[O-])cn1)c1ccc(F)cc1Cl ZINC001588913053 962333276 /nfs/dbraw/zinc/33/32/76/962333276.db2.gz ZYXQQIYYLBYPRQ-UHFFFAOYSA-N -1 0 336.750 3.628 20 0 EHADRM CC1(C)C[C@H](C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)CCO1 ZINC001346300243 962339142 /nfs/dbraw/zinc/33/91/42/962339142.db2.gz GWKLSIYTSFOQCG-CYBMUJFWSA-N -1 0 327.380 3.682 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCC[C@@H]2CCCc2ccccc2)C1 ZINC000263182518 962339121 /nfs/dbraw/zinc/33/91/21/962339121.db2.gz HKVACBWNNDBTDC-IPMKNSEASA-N -1 0 343.467 3.891 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc(-c3cccnc3)n2)CCCCCC1 ZINC001574640419 962344325 /nfs/dbraw/zinc/34/43/25/962344325.db2.gz BJHKAIOTCQDPEB-UHFFFAOYSA-N -1 0 339.395 3.507 20 0 EHADRM CCOCCC1(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)CCCC1 ZINC000263189836 962346143 /nfs/dbraw/zinc/34/61/43/962346143.db2.gz ILGAPYSSJBNUNK-AWEZNQCLSA-N -1 0 333.428 3.800 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)CC2CC(c3ccccc3)C2)s1 ZINC000263195551 962349470 /nfs/dbraw/zinc/34/94/70/962349470.db2.gz LUOAGOQOXCMOIE-UHFFFAOYSA-N -1 0 329.421 3.646 20 0 EHADRM C[C@H](CCC(=O)Nc1ccc(CC(=O)[O-])c(F)c1)c1ccccc1 ZINC000263215595 962369727 /nfs/dbraw/zinc/36/97/27/962369727.db2.gz OATBWIAOQHQMQK-CYBMUJFWSA-N -1 0 329.371 3.975 20 0 EHADRM CC1(C)[C@@H](c2ccccc2)CCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000263225943 962377427 /nfs/dbraw/zinc/37/74/27/962377427.db2.gz PZQSEDGEGTYBSB-CYBMUJFWSA-N -1 0 329.421 3.855 20 0 EHADRM CC(C)(C)c1ccc(C(=O)Nc2cccc(CCC(=O)[O-])c2)nc1 ZINC000263279175 962418000 /nfs/dbraw/zinc/41/80/00/962418000.db2.gz XBOZLYXXRFFJAI-UHFFFAOYSA-N -1 0 326.396 3.649 20 0 EHADRM CC(C)c1ccc(C[C@H](C)NC(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000263280215 962420189 /nfs/dbraw/zinc/42/01/89/962420189.db2.gz SVSWLDJLQORYDD-NNGSBXSVSA-N -1 0 346.471 3.684 20 0 EHADRM Cn1c(C(=O)[O-])ccc1[C@@H]1CCCCN1C(=O)/C=C/c1cccs1 ZINC001347623891 962423138 /nfs/dbraw/zinc/42/31/38/962423138.db2.gz IEKIRGGVORPEKM-VSGCLNPGSA-N -1 0 344.436 3.552 20 0 EHADRM CC[C@H](NC(=O)CCCCC(=O)[O-])c1ccccc1OC(F)F ZINC000263287755 962426697 /nfs/dbraw/zinc/42/66/97/962426697.db2.gz KYUCZTXUAYQWRZ-LBPRGKRZSA-N -1 0 329.343 3.500 20 0 EHADRM CC[C@H](CC(=O)N(CCC(=O)[O-])CC(C)C)c1ccc(OC)cc1 ZINC000263314559 962456189 /nfs/dbraw/zinc/45/61/89/962456189.db2.gz YNSZWPHALAUPFI-OAHLLOKOSA-N -1 0 335.444 3.538 20 0 EHADRM Cc1ccc(CN(Cc2ccco2)C(=O)CCCCC(=O)[O-])s1 ZINC000263337725 962486016 /nfs/dbraw/zinc/48/60/16/962486016.db2.gz WQVUXQCRMITXHO-UHFFFAOYSA-N -1 0 335.425 3.823 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@H]2C[C@@]23CCc2ccccc23)cc1 ZINC000263345112 962496765 /nfs/dbraw/zinc/49/67/65/962496765.db2.gz TVABVOROMQYXCD-WMHILYHISA-N -1 0 335.403 3.717 20 0 EHADRM CC(C)[C@H](c1ccccc1)N(C)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000263350902 962504165 /nfs/dbraw/zinc/50/41/65/962504165.db2.gz PPRUNIYCEYIOTH-LJQANCHMSA-N -1 0 325.408 3.783 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N(Cc2ccc(F)cc2)CC2CC2)cc1 ZINC000263373802 962530576 /nfs/dbraw/zinc/53/05/76/962530576.db2.gz ZNRWEXYEGQCYJY-UHFFFAOYSA-N -1 0 341.382 3.505 20 0 EHADRM C[C@H]1CCCCN1C(=O)c1ccc(NC2CCC(C(=O)[O-])CC2)cc1 ZINC000263402960 962565585 /nfs/dbraw/zinc/56/55/85/962565585.db2.gz ISOHWOQTNDSPCN-NXVRBGIVSA-N -1 0 344.455 3.757 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(C(=O)NCC2(C(=O)[O-])CC2)cc1F ZINC000263412182 962579118 /nfs/dbraw/zinc/57/91/18/962579118.db2.gz HFPCCYXQAWSWJX-UHFFFAOYSA-N -1 0 345.345 3.535 20 0 EHADRM O=C([O-])CC[C@@H](CC1CCCCC1)NC(=O)c1ccc2c(c1)COC2 ZINC000263419826 962589241 /nfs/dbraw/zinc/58/92/41/962589241.db2.gz PAKJHICGYYZIPI-SFHVURJKSA-N -1 0 345.439 3.650 20 0 EHADRM CC(=O)N(c1ccc(NCc2ccc(C(=O)[O-])cc2)cc1)[C@H]1C[C@H]1C ZINC000263421611 962592009 /nfs/dbraw/zinc/59/20/09/962592009.db2.gz PBJZEDVSOHIABP-YJYMSZOUSA-N -1 0 338.407 3.758 20 0 EHADRM CC[C@H](NC(=O)c1c(C)coc1CC(=O)[O-])C(C)(C)c1ccccc1 ZINC000263445902 962628719 /nfs/dbraw/zinc/62/87/19/962628719.db2.gz QZECGLREOXTODK-INIZCTEOSA-N -1 0 343.423 3.701 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cc(C2CC2)[nH]c1C1CC1 ZINC001574691914 962638883 /nfs/dbraw/zinc/63/88/83/962638883.db2.gz HNHKKOPDFCPBHE-CQSZACIVSA-N -1 0 330.428 3.629 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CC1CCC1)c1ccc(C(F)(F)F)cc1 ZINC001352883355 962639874 /nfs/dbraw/zinc/63/98/74/962639874.db2.gz SUXDNWBTTZDIBJ-CYBMUJFWSA-N -1 0 329.318 3.528 20 0 EHADRM CN(C(=O)NC1CCC(C(=O)[O-])CC1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000263499746 962682315 /nfs/dbraw/zinc/68/23/15/962682315.db2.gz VCNPPGSGCZXMBM-OPQOLIRYSA-N -1 0 344.455 3.608 20 0 EHADRM CC(C)c1occc1C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000263506914 962690034 /nfs/dbraw/zinc/69/00/34/962690034.db2.gz BIZGXSWOEKBSRW-UHFFFAOYSA-N -1 0 337.759 3.772 20 0 EHADRM C[C@H](CC(=O)Nc1cc(C(=O)[O-])ccc1Br)C1CC1 ZINC001588993251 962811283 /nfs/dbraw/zinc/81/12/83/962811283.db2.gz AJNYZHGJEHPRKZ-MRVPVSSYSA-N -1 0 326.190 3.522 20 0 EHADRM Cc1coc(C)c1C(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21 ZINC001520204647 962851690 /nfs/dbraw/zinc/85/16/90/962851690.db2.gz CEXSGWVCJXXOIK-NSPYISDASA-N -1 0 327.380 3.504 20 0 EHADRM Cc1csc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1Cl ZINC001549039770 962944449 /nfs/dbraw/zinc/94/44/49/962944449.db2.gz AOXDYQOMYDJLAG-QWHCGFSZSA-N -1 0 349.839 3.650 20 0 EHADRM Cc1cc(C#N)cc(NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000308093056 963257426 /nfs/dbraw/zinc/25/74/26/963257426.db2.gz QJEJKYXHVANTNG-UHFFFAOYSA-N -1 0 337.379 3.873 20 0 EHADRM O=C([O-])c1cnc(CNc2ccc(Cl)c(Br)c2)s1 ZINC000310819545 963435343 /nfs/dbraw/zinc/43/53/43/963435343.db2.gz BJYDZJRALRHEDA-UHFFFAOYSA-N -1 0 347.621 3.869 20 0 EHADRM O=C([O-])c1sccc1COc1cc(F)c([N+](=O)[O-])cc1Cl ZINC000313729164 963678006 /nfs/dbraw/zinc/67/80/06/963678006.db2.gz AAKSOJYOJBWNEO-UHFFFAOYSA-N -1 0 331.708 3.726 20 0 EHADRM O=C([O-])c1ccccc1C(=O)NCCc1ccc(Cl)cc1Cl ZINC000314221469 963727011 /nfs/dbraw/zinc/72/70/11/963727011.db2.gz AZULTONQWRENBA-UHFFFAOYSA-N -1 0 338.190 3.664 20 0 EHADRM O=C([O-])C1(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2)CCCCC1 ZINC000314281822 963735228 /nfs/dbraw/zinc/73/52/28/963735228.db2.gz QECOJKBMGOJXOB-SNAWJCMRSA-N -1 0 342.222 3.910 20 0 EHADRM O=C([O-])C1(NC(=O)CSc2ccccc2Cl)CCCCCC1 ZINC000314374166 963746639 /nfs/dbraw/zinc/74/66/39/963746639.db2.gz SCQOBRVYTQAJFH-UHFFFAOYSA-N -1 0 341.860 3.726 20 0 EHADRM N#Cc1ccc(NCc2ccc(CC(=O)[O-])cc2)cc1Br ZINC000314856202 963821555 /nfs/dbraw/zinc/82/15/55/963821555.db2.gz NJNRUZXDLAAYDA-UHFFFAOYSA-N -1 0 345.196 3.560 20 0 EHADRM C[C@@H](NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1ccsc1 ZINC000315043953 963849506 /nfs/dbraw/zinc/84/95/06/963849506.db2.gz OJKPPDZOVXTHKN-SSDOTTSWSA-N -1 0 326.324 3.607 20 0 EHADRM O=C([O-])[C@@]1(C(F)(F)F)CC[N@@H+]([C@H]2CCc3cc(Cl)ccc32)C1 ZINC000316935655 964075772 /nfs/dbraw/zinc/07/57/72/964075772.db2.gz GFTQKKGSFLYABF-GXTWGEPZSA-N -1 0 333.737 3.666 20 0 EHADRM O=C([O-])[C@@H]1CCCN(c2nc(-c3ccccc3)nc3ccccc32)C1 ZINC000205505022 967685433 /nfs/dbraw/zinc/68/54/33/967685433.db2.gz XDUPZVNNXFSZJR-OAHLLOKOSA-N -1 0 333.391 3.598 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)C2(c3ccc(F)cc3F)CCC2)c1 ZINC000262863211 967830108 /nfs/dbraw/zinc/83/01/08/967830108.db2.gz DRODTSBSRKNYQS-UHFFFAOYSA-N -1 0 345.345 3.652 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1nc2c(s1)CCCC2(C)C ZINC000263137791 967851980 /nfs/dbraw/zinc/85/19/80/967851980.db2.gz ZDMCHFVQFDMFIK-UHFFFAOYSA-N -1 0 339.461 3.522 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCC2(c3ccc(F)cc3)CCCCC2)C1 ZINC000263292326 967867086 /nfs/dbraw/zinc/86/70/86/967867086.db2.gz MKGWWQBEOHVWPR-LSDHHAIUSA-N -1 0 347.430 3.645 20 0 EHADRM CC(C)Oc1ncccc1NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000263451034 967894121 /nfs/dbraw/zinc/89/41/21/967894121.db2.gz ANLWMYFSBADBTA-UHFFFAOYSA-N -1 0 343.383 3.530 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2c(F)cccc2Cl)C1 ZINC000318636048 967993030 /nfs/dbraw/zinc/99/30/30/967993030.db2.gz RASMDYWUYGNYAI-OAHLLOKOSA-N -1 0 328.771 3.588 20 0 EHADRM O=C([O-])CCCCCNC(=O)NC1(c2ccc(Cl)cc2)CCC1 ZINC000414625555 968338833 /nfs/dbraw/zinc/33/88/33/968338833.db2.gz KHHPNMQUQRNXHK-UHFFFAOYSA-N -1 0 338.835 3.663 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)N(C)CCCC(=O)[O-])CCC2 ZINC000414643593 968341705 /nfs/dbraw/zinc/34/17/05/968341705.db2.gz NNJQMLHDILOZDX-QGZVFWFLSA-N -1 0 332.444 3.694 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000540673030 968403109 /nfs/dbraw/zinc/40/31/09/968403109.db2.gz NCFFYWPAXXDXKN-SFHVURJKSA-N -1 0 340.423 3.516 20 0 EHADRM O=C([O-])C1(CNC(=O)CCCc2csc3ccccc23)CCC1 ZINC000539573199 968403172 /nfs/dbraw/zinc/40/31/72/968403172.db2.gz NDTLCHZMOYUYGY-UHFFFAOYSA-N -1 0 331.437 3.595 20 0 EHADRM CC(C)Cn1cc(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)c2ccccc21 ZINC000575747690 968458386 /nfs/dbraw/zinc/45/83/86/968458386.db2.gz JXGUZAMCVOPWMO-HNNXBMFYSA-N -1 0 342.439 3.624 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)Nc1ccc(COC2CCCC2)cc1)C1CC1 ZINC000576574060 968461700 /nfs/dbraw/zinc/46/17/00/968461700.db2.gz KFDLLJIWZCGOGA-CYBMUJFWSA-N -1 0 346.427 3.615 20 0 EHADRM CC[C@@H](NC(=O)N1CCC(C)(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000646141853 968559589 /nfs/dbraw/zinc/55/95/89/968559589.db2.gz XDGKNBCDXVGGTN-CQSZACIVSA-N -1 0 338.835 3.687 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000649456509 968588760 /nfs/dbraw/zinc/58/87/60/968588760.db2.gz IPQPTJGBKACDBA-MRXNPFEDSA-N -1 0 346.427 3.501 20 0 EHADRM CC(C)C[C@H](CNC(=O)CCc1ccc(Cl)cc1)CC(=O)[O-] ZINC000652085605 968611528 /nfs/dbraw/zinc/61/15/28/968611528.db2.gz NALKRLWSVRNQBB-AWEZNQCLSA-N -1 0 325.836 3.526 20 0 EHADRM CC(C)C[C@H](CNC(=O)N[C@@H](C)C1CCC(F)(F)CC1)CC(=O)[O-] ZINC000659410874 968735763 /nfs/dbraw/zinc/73/57/63/968735763.db2.gz BJGOOPGUNNIYAZ-STQMWFEESA-N -1 0 348.434 3.637 20 0 EHADRM CC[C@@H]1c2ccsc2CCN1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000666565880 968847030 /nfs/dbraw/zinc/84/70/30/968847030.db2.gz DGOVFPAOSLETCC-OAHLLOKOSA-N -1 0 344.436 3.665 20 0 EHADRM CC(C)c1cc(N2CCC(c3ccccc3C(=O)[O-])CC2)ncn1 ZINC000668169940 968850110 /nfs/dbraw/zinc/85/01/10/968850110.db2.gz RIBMMAVLNPTTFE-UHFFFAOYSA-N -1 0 325.412 3.682 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(-c2cccc(F)c2)c(F)c1)C(=O)[O-] ZINC000797749405 969177321 /nfs/dbraw/zinc/17/73/21/969177321.db2.gz XQTHLFBOEDOWFL-HNNXBMFYSA-N -1 0 334.322 3.617 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1Cc1cc(Cl)ccc1Br ZINC000263532192 1020506118 /nfs/dbraw/zinc/50/61/18/1020506118.db2.gz XDGIQFSPZJGYLP-VHSXEESVSA-N -1 0 346.652 3.788 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)Nc2cccc(N3CCCCC3)c2)co1 ZINC000901918397 969490843 /nfs/dbraw/zinc/49/08/43/969490843.db2.gz BEIIUSUISODMBW-BQYQJAHWSA-N -1 0 340.379 3.620 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)c2sccc2C(F)F)c2ccccc21 ZINC000902016474 969505995 /nfs/dbraw/zinc/50/59/95/969505995.db2.gz LCOJVKBYWAKLNW-NWDGAFQWSA-N -1 0 337.347 3.729 20 0 EHADRM O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)c2ccc(F)s2)C1 ZINC000902819822 969568160 /nfs/dbraw/zinc/56/81/60/969568160.db2.gz KZSJHFRYGLTURI-LLVKDONJSA-N -1 0 333.384 3.571 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2ccsc2C(F)F)Cc2ccccc21 ZINC000923071150 969645364 /nfs/dbraw/zinc/64/53/64/969645364.db2.gz UGNGMBFQOGNPLU-LBPRGKRZSA-N -1 0 337.347 3.510 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2c(F)cc(Cl)cc2F)C1 ZINC000926085065 969657131 /nfs/dbraw/zinc/65/71/31/969657131.db2.gz QFUFFUALNRPLNB-OAHLLOKOSA-N -1 0 346.761 3.727 20 0 EHADRM Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@H](C(=O)[O-])C2)n1 ZINC001327455503 969706689 /nfs/dbraw/zinc/70/66/89/969706689.db2.gz MRWOWGMYWKTVIV-ZDUSSCGKSA-N -1 0 339.420 3.578 20 0 EHADRM CC(C)(NC(=O)c1cccc(C(=O)[O-])c1)c1nc2ccccc2s1 ZINC001590864222 970012379 /nfs/dbraw/zinc/01/23/79/970012379.db2.gz WUCZZVGXJBTZIP-UHFFFAOYSA-N -1 0 340.404 3.660 20 0 EHADRM O=C([O-])[C@H](CC1CC1)NC(=O)CCCSc1ccc(Cl)cc1 ZINC000318931178 970489720 /nfs/dbraw/zinc/48/97/20/970489720.db2.gz UVGHTXQMGLMRPM-AWEZNQCLSA-N -1 0 341.860 3.582 20 0 EHADRM Cc1sc(NC(=O)c2ccccc2OC(F)F)c(C(=O)[O-])c1C ZINC000319759751 970569474 /nfs/dbraw/zinc/56/94/74/970569474.db2.gz NOWHBEWXJJPGKM-UHFFFAOYSA-N -1 0 341.335 3.917 20 0 EHADRM CCOc1ccc2[nH]c(SCc3cccc(C(=O)[O-])c3)nc2c1 ZINC000320069592 970608895 /nfs/dbraw/zinc/60/88/95/970608895.db2.gz UMLBXUDYSJXSBP-UHFFFAOYSA-N -1 0 328.393 3.952 20 0 EHADRM COc1ccc(Cl)cc1C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000320095079 970613223 /nfs/dbraw/zinc/61/32/23/970613223.db2.gz VFUDJQLSSIYVEL-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)N[C@@H]2CCCc3sccc32)cc1 ZINC000320263216 970639873 /nfs/dbraw/zinc/63/98/73/970639873.db2.gz KAFLPNAHYXIJBT-CQSZACIVSA-N -1 0 330.409 3.574 20 0 EHADRM CCOc1ccccc1CCC(=O)Nc1cc(C)c(C(=O)[O-])s1 ZINC000320303891 970645476 /nfs/dbraw/zinc/64/54/76/970645476.db2.gz KSNUBPHEIAZNOK-UHFFFAOYSA-N -1 0 333.409 3.725 20 0 EHADRM Cc1ccc(CCC(=O)NCc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000320319561 970648312 /nfs/dbraw/zinc/64/83/12/970648312.db2.gz MXMAGXFRZQBXRE-UHFFFAOYSA-N -1 0 331.799 3.596 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000321082545 970741247 /nfs/dbraw/zinc/74/12/47/970741247.db2.gz IEQQYRLXVKYJQH-APPDUMDISA-N -1 0 335.400 3.594 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)N(Cc1cccs1)C1CC1 ZINC000321120453 970746097 /nfs/dbraw/zinc/74/60/97/970746097.db2.gz LFLZQFOGPBMILT-UHFFFAOYSA-N -1 0 334.372 3.782 20 0 EHADRM Cc1ccccc1N(CCC(=O)[O-])C(=O)Cc1cccc(Cl)c1 ZINC000321179425 970750173 /nfs/dbraw/zinc/75/01/73/970750173.db2.gz ZEMKEOHFCIRQPJ-UHFFFAOYSA-N -1 0 331.799 3.699 20 0 EHADRM Cc1c(NC(=O)c2cc(-c3cccs3)on2)cccc1C(=O)[O-] ZINC000321328411 970761314 /nfs/dbraw/zinc/76/13/14/970761314.db2.gz GWMZLYMFTUMNMP-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM CC(C)COc1cccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)c1 ZINC000392973614 972550782 /nfs/dbraw/zinc/55/07/82/972550782.db2.gz LVAQRDMPWCDJER-UHFFFAOYSA-N -1 0 349.333 3.950 20 0 EHADRM O=C(Nc1ccc(F)cc1-c1ccc(F)cc1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001605851801 972599406 /nfs/dbraw/zinc/59/94/06/972599406.db2.gz SQNOKQJJGDOBJB-YEORSEQZSA-N -1 0 346.333 3.617 20 0 EHADRM C[C@H](OC(=O)CCC(=O)[O-])c1cccc(OCc2ccccc2)c1 ZINC001605053836 972669974 /nfs/dbraw/zinc/66/99/74/972669974.db2.gz AOOCVDSHIVLDON-AWEZNQCLSA-N -1 0 328.364 3.735 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(Br)cc2C(=O)[O-])cs1 ZINC000394616731 972723801 /nfs/dbraw/zinc/72/38/01/972723801.db2.gz OOXMMBVVXRPWOW-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC001605091200 972734487 /nfs/dbraw/zinc/73/44/87/972734487.db2.gz DLMSUSLXOMSBLG-HACGYAERSA-N -1 0 332.444 3.529 20 0 EHADRM CC1(CC(F)(F)F)CN(C(=O)Nc2cccc(CCC(=O)[O-])c2)C1 ZINC001603340364 972736142 /nfs/dbraw/zinc/73/61/42/972736142.db2.gz YZXPDYPCRPVNKH-UHFFFAOYSA-N -1 0 344.333 3.510 20 0 EHADRM Cc1c(F)c(F)ccc1NC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001605091750 972738838 /nfs/dbraw/zinc/73/88/38/972738838.db2.gz MPVPALPXLCTPHF-NSHDSACASA-N -1 0 326.343 3.524 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@@H](C)COc2c(C)cccc2C)c1 ZINC001605132410 972797306 /nfs/dbraw/zinc/79/73/06/972797306.db2.gz LIJLFLHDTJNXQW-HNNXBMFYSA-N -1 0 341.407 3.507 20 0 EHADRM C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001603355858 972808391 /nfs/dbraw/zinc/80/83/91/972808391.db2.gz UKWVXOZDRSPNRE-WPRPVWTQSA-N -1 0 348.296 3.719 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2nc(CC(F)(F)F)cs2)c1 ZINC001605140190 972809341 /nfs/dbraw/zinc/80/93/41/972809341.db2.gz FYBIQKDNBSNZFQ-UHFFFAOYSA-N -1 0 344.314 3.507 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)c1 ZINC001605141095 972818448 /nfs/dbraw/zinc/81/84/48/972818448.db2.gz PPUARFVYRXJWFY-JKSUJKDBSA-N -1 0 329.783 3.633 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ncc(-c3ccccn3)s2)CCCCCC1 ZINC001605944579 972903477 /nfs/dbraw/zinc/90/34/77/972903477.db2.gz YERMXRDKPQSPRT-UHFFFAOYSA-N -1 0 345.424 3.569 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@H]2CCCc3sccc32)cc1 ZINC000396659295 972931645 /nfs/dbraw/zinc/93/16/45/972931645.db2.gz XPGDYVGDGXBGRL-ABAIWWIYSA-N -1 0 329.421 3.995 20 0 EHADRM Cc1cc(NC(=O)N2CCC[C@@H]([C@H]3CCCCO3)C2)ccc1C(=O)[O-] ZINC001605201637 972935877 /nfs/dbraw/zinc/93/58/77/972935877.db2.gz ZONGYDCZZCCFJL-RHSMWYFYSA-N -1 0 346.427 3.506 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001603380875 972954448 /nfs/dbraw/zinc/95/44/48/972954448.db2.gz RKLFOXBMFVBKDM-PBFPGSCMSA-N -1 0 339.395 3.578 20 0 EHADRM Cc1cc(OC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc(C)c1Br ZINC001605216911 972963947 /nfs/dbraw/zinc/96/39/47/972963947.db2.gz UOWCHLAFJFXWNZ-LLVKDONJSA-N -1 0 343.217 3.718 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)Nc2cccc(CC(=O)[O-])c2)ccc1F ZINC001605225375 972979540 /nfs/dbraw/zinc/97/95/40/972979540.db2.gz ULGLSXDVKYATNE-GFCCVEGCSA-N -1 0 330.359 3.644 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1CNC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001603392852 973020442 /nfs/dbraw/zinc/02/04/42/973020442.db2.gz WPKJAJODHZWIDF-KYJSFNMBSA-N -1 0 347.455 3.588 20 0 EHADRM C[C@@H]1CCC[C@@H](C2CN(C(=O)Nc3cccc(CC(=O)[O-])c3)C2)C1 ZINC001603398105 973040483 /nfs/dbraw/zinc/04/04/83/973040483.db2.gz SPNLFQXUFMQCBF-UKRRQHHQSA-N -1 0 330.428 3.604 20 0 EHADRM Cc1ccc(CCC2CCN(C(=O)[C@H](C(=O)[O-])C(C)C)CC2)cc1 ZINC001605270907 973052629 /nfs/dbraw/zinc/05/26/29/973052629.db2.gz SDBTYQJNVLJDGF-GOSISDBHSA-N -1 0 331.456 3.523 20 0 EHADRM C[C@H]1CCCN(C(=O)CCc2c(Cl)cccc2Cl)[C@@H]1C(=O)[O-] ZINC001603407656 973072047 /nfs/dbraw/zinc/07/20/47/973072047.db2.gz NJWOYPSGFAGJOD-BONVTDFDSA-N -1 0 344.238 3.638 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1Cl ZINC001605289536 973102240 /nfs/dbraw/zinc/10/22/40/973102240.db2.gz XYTUPCZDKNHWOM-CQSZACIVSA-N -1 0 336.750 3.735 20 0 EHADRM Cc1ccc(Oc2ccc(C(=O)Nc3ncccc3C(=O)[O-])nc2)cc1 ZINC001605302735 973117043 /nfs/dbraw/zinc/11/70/43/973117043.db2.gz DJOOOHMUWAPPKB-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM Cc1ccc([C@@H]2C[C@H]2C(=O)NC[C@H](CC(=O)[O-])CC(C)C)cc1C ZINC001605307349 973125902 /nfs/dbraw/zinc/12/59/02/973125902.db2.gz VLEINXLMDCYENA-RYQLBKOJSA-N -1 0 331.456 3.660 20 0 EHADRM O=C([O-])[C@H]1CN(c2nc3ccc(F)cc3s2)Cc2ccccc21 ZINC001606048765 973157327 /nfs/dbraw/zinc/15/73/27/973157327.db2.gz OXUPTRRLISHLKH-ZDUSSCGKSA-N -1 0 328.368 3.624 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1cnc(Oc2ccccc2)cn1 ZINC001605322100 973162289 /nfs/dbraw/zinc/16/22/89/973162289.db2.gz SBQKVGHGGDZZBE-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM Cc1cccc([C@@H](NC(=O)C[C@H](C)c2cccc(F)c2)C(=O)[O-])c1 ZINC001605327723 973171337 /nfs/dbraw/zinc/17/13/37/973171337.db2.gz GLBDGPUUQBMKFJ-SCLBCKFNSA-N -1 0 329.371 3.570 20 0 EHADRM Cc1cccc([C@H](NC(=O)[C@@H](C)SCc2ccccc2)C(=O)[O-])c1 ZINC001605328097 973177700 /nfs/dbraw/zinc/17/77/00/973177700.db2.gz JYHPCRAZBOFPMX-PBHICJAKSA-N -1 0 343.448 3.559 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)O[C@H](C2CCCC2)C(F)(F)F)co1 ZINC001606063510 973191018 /nfs/dbraw/zinc/19/10/18/973191018.db2.gz BJTIIPKOUJLPJD-URWSZGRFSA-N -1 0 332.274 3.655 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)Nc2cc(C(F)F)ccc2F)co1 ZINC001606064635 973202976 /nfs/dbraw/zinc/20/29/76/973202976.db2.gz OFDNLIDZJJTUBW-DUXPYHPUSA-N -1 0 325.242 3.706 20 0 EHADRM C[C@@H](CN(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F)C(C)(C)C ZINC000399435789 973219515 /nfs/dbraw/zinc/21/95/15/973219515.db2.gz KJGBSRMQIAWHFA-VIFPVBQESA-N -1 0 328.359 3.809 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1C(=O)C1(Cc2ccc(Cl)cc2)CC1 ZINC001606084807 973244926 /nfs/dbraw/zinc/24/49/26/973244926.db2.gz KMFBMXPXTIJKJK-OAHLLOKOSA-N -1 0 335.831 3.519 20 0 EHADRM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC001605348010 973246818 /nfs/dbraw/zinc/24/68/18/973246818.db2.gz XWYZMTUPIUQVCA-GPINWOSQSA-N -1 0 329.440 3.688 20 0 EHADRM C[C@@H]1CN(C(=O)NC[C@@H]2CCCC[C@@H]2C(C)(C)C)CC[C@@H]1C(=O)[O-] ZINC001603450223 973248179 /nfs/dbraw/zinc/24/81/79/973248179.db2.gz PPZHPEPDHAOCLQ-UGUYLWEFSA-N -1 0 338.492 3.591 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)c1cc(Cl)nc(C(C)(C)C)c1)C(=O)[O-] ZINC000401426605 973364900 /nfs/dbraw/zinc/36/49/00/973364900.db2.gz GQKVMZRPWRSSLZ-LLVKDONJSA-N -1 0 340.851 3.652 20 0 EHADRM CC(C)SCC(=O)Nc1sc2c(c1C(=O)[O-])C[C@@H](C)O[C@H]2C ZINC001603476525 973371305 /nfs/dbraw/zinc/37/13/05/973371305.db2.gz XMJWRJFOYWTLNC-BDAKNGLRSA-N -1 0 343.470 3.549 20 0 EHADRM O=C([O-])CCCCCNC(=O)Nc1csc(-c2ccccc2)n1 ZINC001606156604 973409458 /nfs/dbraw/zinc/40/94/58/973409458.db2.gz JCWBFYBHDUQFKZ-UHFFFAOYSA-N -1 0 333.413 3.577 20 0 EHADRM Cc1sc(CN2CCC[C@@H](C)[C@H]2C(=O)[O-])cc1Br ZINC001605461419 973560114 /nfs/dbraw/zinc/56/01/14/973560114.db2.gz YVAXNTBRFMVBDV-PELKAZGASA-N -1 0 332.263 3.504 20 0 EHADRM CC[C@@H](CNC(=O)N1CCC[C@@H](CCCc2ccccc2)C1)C(=O)[O-] ZINC001603557224 973644517 /nfs/dbraw/zinc/64/45/17/973644517.db2.gz ROULRRJGWRFEOZ-MSOLQXFVSA-N -1 0 346.471 3.542 20 0 EHADRM CC[C@@H](CNC(=O)N(CC)Cc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001603557439 973645601 /nfs/dbraw/zinc/64/56/01/973645601.db2.gz VDDYXPBCXBDMAZ-NSHDSACASA-N -1 0 347.242 3.636 20 0 EHADRM Cc1oc(Br)cc1C(=O)NCCCCCCCC(=O)[O-] ZINC000403132349 973662939 /nfs/dbraw/zinc/66/29/39/973662939.db2.gz KTGIAJNMYCZXPA-UHFFFAOYSA-N -1 0 346.221 3.506 20 0 EHADRM O=C([O-])COc1cccc(C(=O)O[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC001606291481 973695116 /nfs/dbraw/zinc/69/51/16/973695116.db2.gz KNQBLCUWMHIROB-JJRVBVJISA-N -1 0 332.396 3.666 20 0 EHADRM CC[C@H](CSc1ccccc1)NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001603575128 973718644 /nfs/dbraw/zinc/71/86/44/973718644.db2.gz GPRSRHHQMLMCOV-QIAWRQBBSA-N -1 0 345.420 3.678 20 0 EHADRM O=C([O-])c1cnc(Nc2ccc3c(c2)CCCCC3)c([N+](=O)[O-])c1 ZINC000404559130 973734272 /nfs/dbraw/zinc/73/42/72/973734272.db2.gz RAFIPZLBFPKCOW-UHFFFAOYSA-N -1 0 327.340 3.701 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CCc2ccccc21 ZINC000404798671 973750461 /nfs/dbraw/zinc/75/04/61/973750461.db2.gz UKNLIJSBJDGNNC-GFCCVEGCSA-N -1 0 342.370 3.718 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2CCC3(CC3(F)F)CC2)cc1 ZINC000405118775 973765940 /nfs/dbraw/zinc/76/59/40/973765940.db2.gz UVCJUQWDFVXLEG-NSHDSACASA-N -1 0 338.354 3.528 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N2CCC3(CC3(F)F)CC2)c1 ZINC000405163485 973770848 /nfs/dbraw/zinc/77/08/48/973770848.db2.gz IYYAJUOMTZWOAD-UHFFFAOYSA-N -1 0 344.745 3.691 20 0 EHADRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)C1(c2cccc(Cl)c2)CCC1 ZINC000405253335 973804077 /nfs/dbraw/zinc/80/40/77/973804077.db2.gz LXAFIEJJEUOQCH-SWLSCSKDSA-N -1 0 335.831 3.521 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000107946714 1014142057 /nfs/dbraw/zinc/14/20/57/1014142057.db2.gz BGMSIGLDRNMMMX-WHEQGISXSA-N -1 0 335.856 3.633 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@H](C)c2ccccc2Cl)cc1 ZINC000107946728 1014143516 /nfs/dbraw/zinc/14/35/16/1014143516.db2.gz MFVJZBDOMGNEOK-MCMMXHMISA-N -1 0 335.856 3.633 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2ccc3c(c2)CC(C)(C)O3)C1 ZINC001603600739 973842723 /nfs/dbraw/zinc/84/27/23/973842723.db2.gz PGKPULDLQXGXDN-IBGZPJMESA-N -1 0 346.427 3.509 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1ccc(-c2ccc(Cl)s2)cn1 ZINC001606410272 973864511 /nfs/dbraw/zinc/86/45/11/973864511.db2.gz RPKURTBPCULUTL-NXEZZACHSA-N -1 0 336.800 3.513 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)C2(Cc3cccc(F)c3)CCCCC2)C1 ZINC001606441399 973886342 /nfs/dbraw/zinc/88/63/42/973886342.db2.gz CZJVERLCHCQYGQ-INIZCTEOSA-N -1 0 347.430 3.642 20 0 EHADRM CCC1(c2ccc(Cl)cc2)CCN(C(=O)[C@H](C(=O)[O-])C2CC2)CC1 ZINC001603616900 973896726 /nfs/dbraw/zinc/89/67/26/973896726.db2.gz FXTBSTIVQLNTDQ-MRXNPFEDSA-N -1 0 349.858 3.721 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CC3(CCCC3)[C@@H]2c2ccco2)ccn1 ZINC001606466344 973942127 /nfs/dbraw/zinc/94/21/27/973942127.db2.gz RFSJTAPZPRGPGT-HNNXBMFYSA-N -1 0 341.367 3.522 20 0 EHADRM O=C([O-])CCCCCNC(=O)N[C@@H](CC1CCC1)c1ccccc1 ZINC000414635596 973945460 /nfs/dbraw/zinc/94/54/60/973945460.db2.gz BMNRLYQGZGQZIN-KRWDZBQOSA-N -1 0 332.444 3.862 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NCc1cnc(C(C)(C)C)nc1 ZINC000417564570 973961527 /nfs/dbraw/zinc/96/15/27/973961527.db2.gz JCKOFCUBAJGXMK-UHFFFAOYSA-N -1 0 343.427 3.872 20 0 EHADRM Cc1ccc(-c2n[nH]cc2CNc2ccc(C[C@H](C)C(=O)[O-])cc2)o1 ZINC000417606745 973965434 /nfs/dbraw/zinc/96/54/34/973965434.db2.gz FGXVTYQLZQBLNH-LBPRGKRZSA-N -1 0 339.395 3.853 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2ncc(C(F)(F)F)cc2Cl)c1 ZINC001606517222 974010356 /nfs/dbraw/zinc/01/03/56/974010356.db2.gz HRMBFGCACJRXGE-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM CC(C)(CCNC(=O)Nc1cccc(N2CCCCCC2)c1)C(=O)[O-] ZINC000424388959 974024792 /nfs/dbraw/zinc/02/47/92/974024792.db2.gz ZSZDZQYLOCZINX-UHFFFAOYSA-N -1 0 347.459 3.689 20 0 EHADRM CN(Cc1csc2ccccc12)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000424396582 974027367 /nfs/dbraw/zinc/02/73/67/974027367.db2.gz HKBOLGJPMSFOPW-UHFFFAOYSA-N -1 0 334.441 3.544 20 0 EHADRM Cc1cc(C)cc([C@@H](NCc2c[nH]c(-c3ccccc3)n2)C(=O)[O-])c1 ZINC000426756706 974046073 /nfs/dbraw/zinc/04/60/73/974046073.db2.gz MAKJUCMRKFBUCJ-GOSISDBHSA-N -1 0 335.407 3.609 20 0 EHADRM O=C([O-])[C@@H](NCc1csc(-c2ccsc2)n1)c1cccs1 ZINC000426795979 974047731 /nfs/dbraw/zinc/04/77/31/974047731.db2.gz ZVTBIXDNWZLRNZ-LBPRGKRZSA-N -1 0 336.463 3.849 20 0 EHADRM CCCN(Cc1c(F)cccc1Cl)C(=O)NC[C@H](CC)C(=O)[O-] ZINC001603672717 974050812 /nfs/dbraw/zinc/05/08/12/974050812.db2.gz OUASFNPEEOBNFE-NSHDSACASA-N -1 0 344.814 3.512 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1cncc2ccccc21)C(=O)[O-] ZINC000431447657 974065437 /nfs/dbraw/zinc/06/54/37/974065437.db2.gz HWVMSIBVGCQACX-HNNXBMFYSA-N -1 0 348.402 3.598 20 0 EHADRM O=C([O-])[C@H](CC1CC1)NC(=O)CCCc1ccc2ccccc2c1 ZINC000431800226 974076183 /nfs/dbraw/zinc/07/61/83/974076183.db2.gz ODWCGGYOVSTBIT-SFHVURJKSA-N -1 0 325.408 3.532 20 0 EHADRM C[C@]1(NC(=O)CSc2ccc(Cl)cc2)CCCC[C@H]1C(=O)[O-] ZINC000431887202 974078798 /nfs/dbraw/zinc/07/87/98/974078798.db2.gz KVFXKHJTQPDVMF-BBRMVZONSA-N -1 0 341.860 3.582 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cc(F)cc2cccnc21 ZINC000431978222 974079681 /nfs/dbraw/zinc/07/96/81/974079681.db2.gz VDSKWCQPOBYHFF-UHFFFAOYSA-N -1 0 338.338 3.941 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)C/C=C/Cc2ccccc2)c2ccccc21 ZINC001605670236 974080586 /nfs/dbraw/zinc/08/05/86/974080586.db2.gz GSYIYIHWCMACFE-LVLPYEQSSA-N -1 0 335.403 3.605 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2ccc(Cl)c3cccnc23)cc1 ZINC000432000098 974082521 /nfs/dbraw/zinc/08/25/21/974082521.db2.gz FRAAMPCPBFFUAR-UHFFFAOYSA-N -1 0 340.766 3.768 20 0 EHADRM Cc1cc(C)cc([C@@H]2CCN(C(=O)Cc3cccc(C(=O)[O-])c3)C2)c1 ZINC000432134662 974091091 /nfs/dbraw/zinc/09/10/91/974091091.db2.gz FPCQUSYSYWFGKA-GOSISDBHSA-N -1 0 337.419 3.560 20 0 EHADRM O=S(=O)([N-]c1ccc(Oc2ccccc2)cn1)c1ccccc1F ZINC000261402042 1014165407 /nfs/dbraw/zinc/16/54/07/1014165407.db2.gz MKIWFDDQZQERED-UHFFFAOYSA-N -1 0 344.367 3.814 20 0 EHADRM CCN(C(=O)CC(C)(C)Cc1ccc(Cl)cc1)[C@H](C)C(=O)[O-] ZINC001603705356 974105948 /nfs/dbraw/zinc/10/59/48/974105948.db2.gz CSKLBCXHEDLCPL-GFCCVEGCSA-N -1 0 325.836 3.620 20 0 EHADRM Cc1ccc(C(C)(C)CN(C)C(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000439787167 974108395 /nfs/dbraw/zinc/10/83/95/974108395.db2.gz FIWQUKFZXJNMGR-UHFFFAOYSA-N -1 0 343.398 3.882 20 0 EHADRM O=C([O-])CN(CCc1ccccc1)C(=O)c1ccc(C2CCC2)cc1 ZINC000439907819 974111208 /nfs/dbraw/zinc/11/12/08/974111208.db2.gz GHUGNPRFFKZZDQ-UHFFFAOYSA-N -1 0 337.419 3.724 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)CCC(=O)c1ccc2ccccc2c1 ZINC000442743113 974118057 /nfs/dbraw/zinc/11/80/57/974118057.db2.gz QAQGVAMZZGREJP-AWEZNQCLSA-N -1 0 341.407 3.514 20 0 EHADRM O=C([O-])c1ccc(COC(=O)COc2cccc3ccccc32)cc1 ZINC001605702722 974127954 /nfs/dbraw/zinc/12/79/54/974127954.db2.gz DVSPQWQEOLVLAG-UHFFFAOYSA-N -1 0 336.343 3.660 20 0 EHADRM CCc1ccc(C(=O)N[C@](C)(CC(=O)[O-])c2cccc(F)c2)cc1 ZINC000448990972 974130894 /nfs/dbraw/zinc/13/08/94/974130894.db2.gz AHADXPMGPKOLBC-LJQANCHMSA-N -1 0 329.371 3.508 20 0 EHADRM COc1ccccc1[C@H]1CCCN(C(=O)[C@H](C(=O)[O-])C(C)(C)C)CC1 ZINC001604883807 974137349 /nfs/dbraw/zinc/13/73/49/974137349.db2.gz NYBKRYDKRBLXTH-WMLDXEAASA-N -1 0 347.455 3.538 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)CCCc1ccc(C(C)(C)C)cc1 ZINC000455892631 974164469 /nfs/dbraw/zinc/16/44/69/974164469.db2.gz NCZFYTSKEQAXBM-RHSMWYFYSA-N -1 0 331.456 3.628 20 0 EHADRM Cc1cccc([C@H](C)C(=O)N[C@@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000455932041 974172527 /nfs/dbraw/zinc/17/25/27/974172527.db2.gz JCKVDDQZGSZYAM-TXPKVOOTSA-N -1 0 339.435 3.547 20 0 EHADRM CCCN(CCc1cccc(F)c1)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000478855180 974213163 /nfs/dbraw/zinc/21/31/63/974213163.db2.gz ZPPJDNHXXZRCLU-UHFFFAOYSA-N -1 0 347.361 3.758 20 0 EHADRM CC(=O)[C@@H]1C[C@H](CC(=O)Nc2cc(F)cc(Cl)c2[O-])C1(C)C ZINC000274520206 1014177648 /nfs/dbraw/zinc/17/76/48/1014177648.db2.gz BBCJTNMVYGDAEM-KOLCDFICSA-N -1 0 327.783 3.765 20 0 EHADRM C[C@@H]1CN(Cc2csc(C(=O)[O-])c2)C[C@H](c2ccc(F)cc2)O1 ZINC000517948067 974320730 /nfs/dbraw/zinc/32/07/30/974320730.db2.gz COPIBAFGSVUACD-IAQYHMDHSA-N -1 0 335.400 3.547 20 0 EHADRM COc1cc(F)c(CNc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1OC ZINC000519782167 974335908 /nfs/dbraw/zinc/33/59/08/974335908.db2.gz ZCRLMUQSQFDXIM-GFCCVEGCSA-N -1 0 347.386 3.718 20 0 EHADRM C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1Cc1ccc(C(=O)[O-])o1 ZINC000521633990 974346061 /nfs/dbraw/zinc/34/60/61/974346061.db2.gz HJTOIRCZAWQWKS-MEDUHNTESA-N -1 0 335.787 3.593 20 0 EHADRM CC1(C)C[C@H](c2ccccc2)N(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C1 ZINC000521629269 974346149 /nfs/dbraw/zinc/34/61/49/974346149.db2.gz LTIWYUZBKUOGQO-BRWVUGGUSA-N -1 0 329.440 3.877 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)Cc1cn(C)c2ccccc12 ZINC000527066979 974351388 /nfs/dbraw/zinc/35/13/88/974351388.db2.gz AJCRCOSLGKLCEP-UHFFFAOYSA-N -1 0 336.391 3.675 20 0 EHADRM CCOc1c(Cl)cccc1CC(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001603849898 974352900 /nfs/dbraw/zinc/35/29/00/974352900.db2.gz JSINCUQPODYLOV-UHFFFAOYSA-N -1 0 348.782 3.723 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1ccccc1OC1CCCCC1 ZINC000532001176 974370364 /nfs/dbraw/zinc/37/03/64/974370364.db2.gz SVAZZGYOEQAGQZ-UHFFFAOYSA-N -1 0 333.428 3.773 20 0 EHADRM O=C([O-])CC1(NC(=O)C[C@H]2CCCc3ccccc32)CCCCC1 ZINC000532255006 974373038 /nfs/dbraw/zinc/37/30/38/974373038.db2.gz OOVDEFDNBGMJOC-MRXNPFEDSA-N -1 0 329.440 3.790 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)Nc1cccc(OC(F)F)c1 ZINC000537474967 974384303 /nfs/dbraw/zinc/38/43/03/974384303.db2.gz LEZFIIVYJNLXQU-UHFFFAOYSA-N -1 0 335.306 3.558 20 0 EHADRM CC(C)(C)c1ccc(CCNC(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC000538575637 974390882 /nfs/dbraw/zinc/39/08/82/974390882.db2.gz IDMBANIEEJKKJY-UHFFFAOYSA-N -1 0 339.435 3.584 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000539572434 974395315 /nfs/dbraw/zinc/39/53/15/974395315.db2.gz DGUFQZKCVHTBEV-VXGBXAGGSA-N -1 0 339.819 3.958 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)Cc2cccc(C(=O)[O-])c2)cc1C ZINC000539675249 974397236 /nfs/dbraw/zinc/39/72/36/974397236.db2.gz CKMRDJGVZOGRON-LJQANCHMSA-N -1 0 337.419 3.908 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N2CCC[C@H]2c2cccc(Cl)c2)c1 ZINC000539674707 974397360 /nfs/dbraw/zinc/39/73/60/974397360.db2.gz DOEYJISZBHADQC-KRWDZBQOSA-N -1 0 343.810 3.944 20 0 EHADRM CCOc1cc(C(=O)NCC2(CC(=O)[O-])CCCCC2)ccc1C ZINC000540776113 974408506 /nfs/dbraw/zinc/40/85/06/974408506.db2.gz BJRNTXVVDZFPLL-UHFFFAOYSA-N -1 0 333.428 3.549 20 0 EHADRM Cc1cc(O[C@@H](C)C(=O)Nc2ccc(CC(=O)[O-])cc2)ccc1Cl ZINC000541574907 974411847 /nfs/dbraw/zinc/41/18/47/974411847.db2.gz KFDHDIXBAYMYPB-LBPRGKRZSA-N -1 0 347.798 3.682 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])cc1F)[C@H]1CCCc2ccccc21 ZINC000548150819 974453465 /nfs/dbraw/zinc/45/34/65/974453465.db2.gz JVBJZYHEJWNQAL-KRWDZBQOSA-N -1 0 327.355 3.674 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N[C@H](c2ccccc2)C2CCCC2)c1 ZINC000553933542 974480443 /nfs/dbraw/zinc/48/04/43/974480443.db2.gz QQLHCPCIHSGCOK-HXUWFJFHSA-N -1 0 337.419 3.975 20 0 EHADRM O=C([O-])CC1(CNC(=O)C2(Cc3ccccc3)CC2)CCCCC1 ZINC000558135778 974493221 /nfs/dbraw/zinc/49/32/21/974493221.db2.gz BUGFXKLTTAVEDL-UHFFFAOYSA-N -1 0 329.440 3.551 20 0 EHADRM CCc1nc2sccc2c(N[C@@H](C)c2ncc(C(=O)[O-])s2)n1 ZINC000563210185 974521186 /nfs/dbraw/zinc/52/11/86/974521186.db2.gz TXEBYEMUUWIHNS-ZETCQYMHSA-N -1 0 334.426 3.582 20 0 EHADRM C[C@@H]1CCN(Cc2cc(-c3ccccc3Cl)on2)[C@@H](C(=O)[O-])C1 ZINC000563290718 974529608 /nfs/dbraw/zinc/52/96/08/974529608.db2.gz ZUHKAUPHIRFPKA-IAQYHMDHSA-N -1 0 334.803 3.680 20 0 EHADRM CC1(C)C[N@H+](Cc2ccc(C(=O)[O-])cc2F)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000565103396 974568819 /nfs/dbraw/zinc/56/88/19/974568819.db2.gz FVJHELDPCLVAOV-PSGMQZRDSA-N -1 0 347.430 3.694 20 0 EHADRM O=C([O-])[C@@H](c1ccccc1F)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000566363546 974610703 /nfs/dbraw/zinc/61/07/03/974610703.db2.gz OGGCSAKGCRCFAP-IAGOWNOFSA-N -1 0 349.789 3.678 20 0 EHADRM O=C1NCCCN1c1cccc(NCc2cccc(O)c2Cl)c1 ZINC000339315174 1014207891 /nfs/dbraw/zinc/20/78/91/1014207891.db2.gz PKZOGIYZZNTXCN-UHFFFAOYSA-N -1 0 331.803 3.577 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)C[C@H](C)CC(=O)[O-] ZINC000568415293 974670300 /nfs/dbraw/zinc/67/03/00/974670300.db2.gz NQCHWOAGACFSIV-AVGNSLFASA-N -1 0 325.836 3.791 20 0 EHADRM C[C@](CNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)(C(=O)[O-])c1ccccc1 ZINC000568436794 974671424 /nfs/dbraw/zinc/67/14/24/974671424.db2.gz DJFSRBFGQDNDQO-BZLDKRAPSA-N -1 0 343.467 3.752 20 0 EHADRM Cc1oc(CN(C)[C@@H](C)c2noc(-c3ccccc3)n2)cc1C(=O)[O-] ZINC000569612000 974695789 /nfs/dbraw/zinc/69/57/89/974695789.db2.gz OBLZNXURNQZAGY-NSHDSACASA-N -1 0 341.367 3.529 20 0 EHADRM Cc1ccoc1CN(C)c1nc(C)nc2sc(C(=O)[O-])c(C)c21 ZINC000571406332 974728578 /nfs/dbraw/zinc/72/85/78/974728578.db2.gz KHUMNCUVLDYPOV-UHFFFAOYSA-N -1 0 331.397 3.544 20 0 EHADRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000573534497 974767090 /nfs/dbraw/zinc/76/70/90/974767090.db2.gz QGCTYOSJZGLQPC-YSGRDPCXSA-N -1 0 347.414 3.583 20 0 EHADRM COCc1ccc([C@H]2CCC[N@@H+]2[C@H](C(=O)[O-])c2ccccc2C)o1 ZINC000576046261 974807318 /nfs/dbraw/zinc/80/73/18/974807318.db2.gz GGEXVHJSEHLVKL-AEFFLSMTSA-N -1 0 329.396 3.697 20 0 EHADRM COc1ccccc1-c1nc(CN(C)[C@@H](CC(C)C)C(=O)[O-])cs1 ZINC000576114104 974808295 /nfs/dbraw/zinc/80/82/95/974808295.db2.gz LLPKIMVKNMHVSN-HNNXBMFYSA-N -1 0 348.468 3.750 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CN1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000577737494 974841248 /nfs/dbraw/zinc/84/12/48/974841248.db2.gz UQQDQFACETVTIV-BLLLJJGKSA-N -1 0 331.437 3.717 20 0 EHADRM C[C@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000578756516 974861002 /nfs/dbraw/zinc/86/10/02/974861002.db2.gz WXEZQWOIXVJPQN-DIFFPNOSSA-N -1 0 337.370 3.679 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCCC[C@H]2C2CC2)C[C@@H]1c1ccccc1 ZINC000580716162 974898576 /nfs/dbraw/zinc/89/85/76/974898576.db2.gz AGPMSUMMLKJUNM-WJFTUGDTSA-N -1 0 341.451 3.530 20 0 EHADRM O=C([O-])c1cc(F)ccc1CN1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000582792214 974931259 /nfs/dbraw/zinc/93/12/59/974931259.db2.gz SNYTVAWRTDUTIP-QGZVFWFLSA-N -1 0 349.789 3.751 20 0 EHADRM CCCN(Cc1ccc(C)cc1)C(=O)c1c(C)coc1CC(=O)[O-] ZINC000584156275 974950609 /nfs/dbraw/zinc/95/06/09/974950609.db2.gz HBMDTYYYUMDYAV-UHFFFAOYSA-N -1 0 329.396 3.576 20 0 EHADRM Cc1cccc(-c2cncc(C(=O)N3CCCCC[C@@H]3C(=O)[O-])c2)c1 ZINC000621569955 975036180 /nfs/dbraw/zinc/03/61/80/975036180.db2.gz OBOZFWXQRLCEDY-GOSISDBHSA-N -1 0 338.407 3.526 20 0 EHADRM Cc1ccc(CCC(=O)N2CCc3c(cccc3C(=O)[O-])C2)c(C)c1 ZINC000621578913 975039229 /nfs/dbraw/zinc/03/92/29/975039229.db2.gz NMYYAQLUPURHTF-UHFFFAOYSA-N -1 0 337.419 3.519 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)CCCc1cccs1 ZINC000621588361 975045913 /nfs/dbraw/zinc/04/59/13/975045913.db2.gz WKSNMTSKBRGTAX-IRXDYDNUSA-N -1 0 343.448 3.888 20 0 EHADRM Cc1cccc([C@@H](NC(=O)N2CCC(CCC(=O)[O-])CC2)C(C)C)c1 ZINC000626777124 975071342 /nfs/dbraw/zinc/07/13/42/975071342.db2.gz JRFSFQUALPECFN-IBGZPJMESA-N -1 0 346.471 3.979 20 0 EHADRM C[C@H]1CC(F)(F)CCN1Cc1c(Br)cccc1C(=O)[O-] ZINC000629371426 975087174 /nfs/dbraw/zinc/08/71/74/975087174.db2.gz AXWNPWLCQQHNSS-VIFPVBQESA-N -1 0 348.187 3.767 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1C(=O)N[C@H](CC(=O)[O-])c1ccc(OC)cc1 ZINC000630098274 975100003 /nfs/dbraw/zinc/10/00/03/975100003.db2.gz QLYDCSIKNSOGJS-XOKHGSTOSA-N -1 0 333.428 3.544 20 0 EHADRM Cc1cc(C(=O)N(Cc2ccccc2)[C@H](C)C2CC2)oc1C(=O)[O-] ZINC000630103335 975102011 /nfs/dbraw/zinc/10/20/11/975102011.db2.gz VCEMVPVBUTYERS-CYBMUJFWSA-N -1 0 327.380 3.727 20 0 EHADRM Cc1cc(C(=O)N2CC[C@H](c3ccccc3)[C@@H](C)C2)oc1C(=O)[O-] ZINC000630122556 975110971 /nfs/dbraw/zinc/11/09/71/975110971.db2.gz ROXGMYPATUIMQK-ZFWWWQNUSA-N -1 0 327.380 3.552 20 0 EHADRM Cc1ccccc1C[C@@H](C)C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000630127210 975112969 /nfs/dbraw/zinc/11/29/69/975112969.db2.gz PXKGVODLMPWGQS-VQIMIIECSA-N -1 0 339.435 3.896 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Cc1coc2cc(Cl)ccc12 ZINC000630149793 975130757 /nfs/dbraw/zinc/13/07/57/975130757.db2.gz UWDUVZAGYJDKNQ-UHFFFAOYSA-N -1 0 337.803 3.778 20 0 EHADRM C[C@H](CN(C(=O)Cc1cc(Cl)cc2ccccc21)C1CC1)C(=O)[O-] ZINC000630156144 975133563 /nfs/dbraw/zinc/13/35/63/975133563.db2.gz CVNSKDMGKMIBFA-GFCCVEGCSA-N -1 0 345.826 3.747 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000630157826 975134941 /nfs/dbraw/zinc/13/49/41/975134941.db2.gz PBTXPDLXDJHRBR-KZNAEPCWSA-N -1 0 343.467 3.920 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000630161614 975136899 /nfs/dbraw/zinc/13/68/99/975136899.db2.gz YAGXJBCJOLDXMG-IAGOWNOFSA-N -1 0 327.355 3.585 20 0 EHADRM CCc1ccc(F)cc1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000630163509 975138332 /nfs/dbraw/zinc/13/83/32/975138332.db2.gz WZZCKGCULPZMEI-LBPRGKRZSA-N -1 0 329.371 3.904 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)c2ccccc21 ZINC000630171229 975141508 /nfs/dbraw/zinc/14/15/08/975141508.db2.gz SPANSTBVUOSRLQ-JFIYKMOQSA-N -1 0 335.403 3.785 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)CC1CCC(F)(F)CC1 ZINC000630186264 975147695 /nfs/dbraw/zinc/14/76/95/975147695.db2.gz ZYXWOIBPBVRTCF-ZDUSSCGKSA-N -1 0 339.382 3.704 20 0 EHADRM Cc1ccc(CO[C@@H](C)C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cc1 ZINC000630194779 975152686 /nfs/dbraw/zinc/15/26/86/975152686.db2.gz VEKMRCFTUVWORQ-GJZGRUSLSA-N -1 0 341.407 3.727 20 0 EHADRM Cc1cc(C(=O)N2CCc3ccc(Cl)cc3[C@@H](C)C2)oc1C(=O)[O-] ZINC000630201630 975157883 /nfs/dbraw/zinc/15/78/83/975157883.db2.gz RDKBSDUIWWSOIS-NSHDSACASA-N -1 0 347.798 3.742 20 0 EHADRM CC1(C(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)CCCCCC1 ZINC000630241342 975186172 /nfs/dbraw/zinc/18/61/72/975186172.db2.gz VHAPHXOTMAIMJF-UHFFFAOYSA-N -1 0 333.403 3.769 20 0 EHADRM CC(C)C[C@H](C)CC(=O)N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000630245491 975192011 /nfs/dbraw/zinc/19/20/11/975192011.db2.gz JNYIOGMPWQDZLS-LBPRGKRZSA-N -1 0 338.473 3.620 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(Cl)cc2Cl)[C@H]2CCC[C@H]21 ZINC000630272002 975216459 /nfs/dbraw/zinc/21/64/59/975216459.db2.gz IZESWSSZVXITSB-WDMOLILDSA-N -1 0 342.222 3.709 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCCCCc2cccs2)[C@@H]2CCC[C@@H]21 ZINC000630277317 975221775 /nfs/dbraw/zinc/22/17/75/975221775.db2.gz FSNFXLVFADKGHU-BRWVUGGUSA-N -1 0 349.496 3.953 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N3CC[C@H](C(=O)[O-])[C@H]4CCC[C@H]43)cc2c1C ZINC000630279714 975224693 /nfs/dbraw/zinc/22/46/93/975224693.db2.gz KIOVBWFNLAPVAI-QWQRMKEZSA-N -1 0 340.423 3.500 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NC1CCC2(CC2)CC1)C(=O)[O-] ZINC000630294287 975234816 /nfs/dbraw/zinc/23/48/16/975234816.db2.gz KIXXNXPFUNSQBE-LBPRGKRZSA-N -1 0 333.453 3.704 20 0 EHADRM CN(C(=O)c1cccc(C(=O)[O-])n1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000630295521 975235083 /nfs/dbraw/zinc/23/50/83/975235083.db2.gz GKPPIFRGOVVFDI-QAPCUYQASA-N -1 0 338.407 3.578 20 0 EHADRM CN(C(=O)c1cc(C(=O)[O-])ccn1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000630295639 975235846 /nfs/dbraw/zinc/23/58/46/975235846.db2.gz TZEOXQZPWSBSEB-SJLPKXTDSA-N -1 0 338.407 3.578 20 0 EHADRM C[C@H](Cc1ccccc1C(F)(F)F)N(C)C(=O)CCCCC(=O)[O-] ZINC000630298723 975237972 /nfs/dbraw/zinc/23/79/72/975237972.db2.gz IPSVZYVJBUJJHG-GFCCVEGCSA-N -1 0 345.361 3.740 20 0 EHADRM C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000630299074 975238257 /nfs/dbraw/zinc/23/82/57/975238257.db2.gz IKULLFMQKVUDAO-GFOCRRMGSA-N -1 0 329.440 3.707 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N(C)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000630299990 975239154 /nfs/dbraw/zinc/23/91/54/975239154.db2.gz OEUZSBHQLNFBOU-RYUDHWBXSA-N -1 0 345.361 3.596 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCCc3ccc(Cl)cc32)C1 ZINC000630304100 975240589 /nfs/dbraw/zinc/24/05/89/975240589.db2.gz DXFZINLOSZXCGY-WOSRLPQWSA-N -1 0 335.831 3.725 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H]2CCCc3sccc32)cc1 ZINC000630329761 975257520 /nfs/dbraw/zinc/25/75/20/975257520.db2.gz MNWVXOXIDZTFEZ-OWCLPIDISA-N -1 0 341.432 3.995 20 0 EHADRM COc1cccc(CNc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c1OC ZINC000630466548 975266252 /nfs/dbraw/zinc/26/62/52/975266252.db2.gz DGEUVDGQDQJSMG-JKSUJKDBSA-N -1 0 327.380 3.504 20 0 EHADRM O=C([O-])[C@@H](NCc1nc2c(s1)CCCC2)c1ccccc1Cl ZINC000630462365 975266293 /nfs/dbraw/zinc/26/62/93/975266293.db2.gz BHLKVCBFYGDBOA-HNNXBMFYSA-N -1 0 336.844 3.591 20 0 EHADRM CC(=O)[C@H](Sc1n[n-]c(=Nc2cccc(F)c2)s1)C(C)C ZINC000579711133 1014248974 /nfs/dbraw/zinc/24/89/74/1014248974.db2.gz DWNPNOADGCEMPJ-GFCCVEGCSA-N -1 0 325.434 3.548 20 0 EHADRM Cc1cccc2[nH]cc(CCNC(=O)CC3(CC(=O)[O-])CCCC3)c21 ZINC000634879430 975279908 /nfs/dbraw/zinc/27/99/08/975279908.db2.gz NCCDKHDVAVPKPP-UHFFFAOYSA-N -1 0 342.439 3.560 20 0 EHADRM O=C([O-])c1cnc(N[C@H]2CCO[C@H](c3ccccc3)C2)c(Cl)c1 ZINC000647452920 975364237 /nfs/dbraw/zinc/36/42/37/975364237.db2.gz PYQPQFPHCPHLAD-ZFWWWQNUSA-N -1 0 332.787 3.765 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)Nc2ccc(OC3CCCCC3)cc2)C1 ZINC000647696576 975373393 /nfs/dbraw/zinc/37/33/93/975373393.db2.gz OSUSPJYAWFRLOT-HIFRSBDPSA-N -1 0 346.427 3.773 20 0 EHADRM Cc1ccc2cc(Cl)cc(C(=O)NC(C)(C)CCC(=O)[O-])c2n1 ZINC000647727569 975375027 /nfs/dbraw/zinc/37/50/27/975375027.db2.gz QGWKKWROZPVKHX-UHFFFAOYSA-N -1 0 334.803 3.570 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCSc1ccccc1)c1cccs1 ZINC000648047717 975380214 /nfs/dbraw/zinc/38/02/14/975380214.db2.gz ADXYPEJPCCGLSY-ZDUSSCGKSA-N -1 0 335.450 3.563 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H]2CCCC(C)(C)C2)cc1 ZINC000649353234 975407131 /nfs/dbraw/zinc/40/71/31/975407131.db2.gz OYPFBSRDIFUNNQ-GOEBONIOSA-N -1 0 333.428 3.544 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(NCC3(C(F)(F)F)CC3)c12 ZINC000649398909 975414312 /nfs/dbraw/zinc/41/43/12/975414312.db2.gz HTYXXBOBZISJKH-UHFFFAOYSA-N -1 0 345.346 3.761 20 0 EHADRM Cc1nc2scc(CC(C)C)c2c(N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)n1 ZINC000649405323 975416869 /nfs/dbraw/zinc/41/68/69/975416869.db2.gz QALHQSRXCQEOJL-SMDDNHRTSA-N -1 0 347.484 3.745 20 0 EHADRM Cc1nc(-c2cccc(C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])c2)cs1 ZINC000652076301 975472736 /nfs/dbraw/zinc/47/27/36/975472736.db2.gz ZREXZXZUAQXTRH-AWEZNQCLSA-N -1 0 346.452 3.738 20 0 EHADRM CC(C)OC(=O)c1ccc(COc2cnc(Cl)cc2C(=O)[O-])cc1 ZINC001591685421 975480178 /nfs/dbraw/zinc/48/01/78/975480178.db2.gz CCQHSXGKVHJXMU-UHFFFAOYSA-N -1 0 349.770 3.577 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)C[C@H]1C1CC1 ZINC000652125332 975511329 /nfs/dbraw/zinc/51/13/29/975511329.db2.gz NZOKLVRGUGAWAM-ZGXWSNOMSA-N -1 0 349.430 3.513 20 0 EHADRM Cc1oc(-c2ccsc2)nc1CN(CC(=O)[O-])C1CCCCC1 ZINC000652481801 975550118 /nfs/dbraw/zinc/55/01/18/975550118.db2.gz AZKIPGHSUDJGIV-UHFFFAOYSA-N -1 0 334.441 3.931 20 0 EHADRM CCc1cc(C(=O)N(C)CCCC(=O)[O-])sc1-c1ccccc1 ZINC000655533951 975622777 /nfs/dbraw/zinc/62/27/77/975622777.db2.gz VVCRBNSJRMFFNO-UHFFFAOYSA-N -1 0 331.437 3.914 20 0 EHADRM C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)CCCCC(=O)[O-] ZINC000655549570 975626419 /nfs/dbraw/zinc/62/64/19/975626419.db2.gz SJOBSADFLOWNPW-LLVKDONJSA-N -1 0 331.334 3.870 20 0 EHADRM CC1(C)CO[C@@H](c2cccc(F)c2)CN1Cc1cccc(C(=O)[O-])c1 ZINC000656765435 975696937 /nfs/dbraw/zinc/69/69/37/975696937.db2.gz MAURUVAFGKJEEP-GOSISDBHSA-N -1 0 343.398 3.876 20 0 EHADRM CC(C)OCc1ccc(C(=O)NC2(CCC(=O)[O-])CCCCC2)cc1 ZINC001591730789 975699188 /nfs/dbraw/zinc/69/91/88/975699188.db2.gz CGQFDPSXZQEAGT-UHFFFAOYSA-N -1 0 347.455 3.909 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[C@H]1Cc1ccccc1Cl ZINC000659119234 975715824 /nfs/dbraw/zinc/71/58/24/975715824.db2.gz DMAWWAFFZLTYSA-ZDUSSCGKSA-N -1 0 347.798 3.787 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C[C@]12CCCC[C@H]1C2(F)F)c1cccs1 ZINC000659119786 975715878 /nfs/dbraw/zinc/71/58/78/975715878.db2.gz JIXFNSRRVGVXHL-JVLSTEMRSA-N -1 0 343.395 3.596 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1 ZINC000659122782 975723640 /nfs/dbraw/zinc/72/36/40/975723640.db2.gz XZTPBGCCXHNTKL-UHFFFAOYSA-N -1 0 339.351 3.682 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)C2[C@H]3CCCCCC[C@H]23)c1OC ZINC000659127599 975727087 /nfs/dbraw/zinc/72/70/87/975727087.db2.gz MQIDTAQIGPUNNA-STQMWFEESA-N -1 0 347.411 3.557 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000659129267 975728111 /nfs/dbraw/zinc/72/81/11/975728111.db2.gz KDDYELLMZJCVPT-FZDIXFNVSA-N -1 0 337.419 3.677 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)[C@@H]2CCCC3(CC3)C2)cc1Cl ZINC000659140166 975740391 /nfs/dbraw/zinc/74/03/91/975740391.db2.gz ZGJQVDULXLZNKZ-LLVKDONJSA-N -1 0 337.803 3.712 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000659144802 975744738 /nfs/dbraw/zinc/74/47/38/975744738.db2.gz FCDGQRNHXIGAHB-MEBBXXQBSA-N -1 0 331.343 3.649 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)O3)cc1)C(=O)[O-] ZINC000659145866 975745638 /nfs/dbraw/zinc/74/56/38/975745638.db2.gz CRBJCSGDBDPJMR-STQMWFEESA-N -1 0 339.391 3.526 20 0 EHADRM CC(C)Oc1c(F)cc(NC(=O)c2ccccc2C(=O)[O-])cc1F ZINC001591741463 975754494 /nfs/dbraw/zinc/75/44/94/975754494.db2.gz YYFDIWCIOMPSNP-UHFFFAOYSA-N -1 0 335.306 3.703 20 0 EHADRM CCC[C@@H](C(=O)NCCC(C)(C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000659157589 975756233 /nfs/dbraw/zinc/75/62/33/975756233.db2.gz WCDQSOSWNOTOCO-CQSZACIVSA-N -1 0 325.836 3.841 20 0 EHADRM Cc1cccc(C)c1[C@H]1CCCN1C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000659168519 975766985 /nfs/dbraw/zinc/76/69/85/975766985.db2.gz XDOMXNPKYLIJFT-BRWVUGGUSA-N -1 0 329.440 3.858 20 0 EHADRM CC(C)Oc1c(NC(=O)N[C@H]2CCCC23CC3)cccc1C(=O)[O-] ZINC001591744809 975772888 /nfs/dbraw/zinc/77/28/88/975772888.db2.gz ULOMXMFMIXZLAX-AWEZNQCLSA-N -1 0 332.400 3.626 20 0 EHADRM CC(C)Oc1c(NC(=O)c2cc(Cl)ccc2N)cccc1C(=O)[O-] ZINC001591746284 975781171 /nfs/dbraw/zinc/78/11/71/975781171.db2.gz GCTZLWQWJHLQLI-UHFFFAOYSA-N -1 0 348.786 3.660 20 0 EHADRM CSc1ccc(C(=O)NC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)o1 ZINC000659185896 975783178 /nfs/dbraw/zinc/78/31/78/975783178.db2.gz WKCZMMIYXSLLGX-ZDUSSCGKSA-N -1 0 345.420 3.550 20 0 EHADRM CC(C)Oc1c(NC(=O)c2cc(O)ccc2Cl)cccc1C(=O)[O-] ZINC001591746651 975786173 /nfs/dbraw/zinc/78/61/73/975786173.db2.gz PWSGRYOBVGDOSK-UHFFFAOYSA-N -1 0 349.770 3.783 20 0 EHADRM CC(C)Oc1c(NC(=O)NC[C@@H]2CCCC23CC3)cccc1C(=O)[O-] ZINC001591747616 975795058 /nfs/dbraw/zinc/79/50/58/975795058.db2.gz UJNGFHLCQJUTPS-ZDUSSCGKSA-N -1 0 346.427 3.874 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)[C@H]2CCCC[C@H]12 ZINC000659195176 975798138 /nfs/dbraw/zinc/79/81/38/975798138.db2.gz WYMOPZHYIDOEKF-ZXXIGWHRSA-N -1 0 333.472 3.695 20 0 EHADRM CCC[C@@H](C(=O)NC[C@H](CC(=O)[O-])C1CC1)c1ccc(Cl)cc1 ZINC000659209895 975820397 /nfs/dbraw/zinc/82/03/97/975820397.db2.gz PJIDHPNLQWHREI-GOEBONIOSA-N -1 0 337.847 3.841 20 0 EHADRM O=C([O-])C[C@@H](CNC(=O)C1(Sc2ccccc2)CCCC1)C1CC1 ZINC000659209693 975820591 /nfs/dbraw/zinc/82/05/91/975820591.db2.gz KSPPBRUAXNMMSL-HNNXBMFYSA-N -1 0 347.480 3.709 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NC[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C ZINC001591768074 975887060 /nfs/dbraw/zinc/88/70/60/975887060.db2.gz ZAWBMBOWUWATGJ-BEAPCOKYSA-N -1 0 346.427 3.586 20 0 EHADRM CC(C)Oc1ccc(CNC(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC001591775017 975914766 /nfs/dbraw/zinc/91/47/66/975914766.db2.gz GDFIWHZMTJWSBB-UHFFFAOYSA-N -1 0 346.358 3.633 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)Cc2ccccc21 ZINC000663135793 975933021 /nfs/dbraw/zinc/93/30/21/975933021.db2.gz UVCKLFDLXMWCHF-IWKCEXAMSA-N -1 0 341.451 3.804 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])c(Cl)c1 ZINC001591788144 975967721 /nfs/dbraw/zinc/96/77/21/975967721.db2.gz OQELQTILGOKCTM-YPMHNXCESA-N -1 0 340.807 3.502 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N[C@@H](C2CCCCC2)C(F)(F)F)c1 ZINC000668301101 975990948 /nfs/dbraw/zinc/99/09/48/975990948.db2.gz DCHNFDUJMGAGTJ-HNNXBMFYSA-N -1 0 343.345 3.555 20 0 EHADRM O=C([O-])c1coc(C(=O)N2CCC[C@@H](c3ccc(F)cc3)CC2)c1 ZINC000668314125 975993125 /nfs/dbraw/zinc/99/31/25/975993125.db2.gz IGWRKGTUWFVHQX-GFCCVEGCSA-N -1 0 331.343 3.527 20 0 EHADRM CC(C)Oc1cccc(NC(=O)Nc2cc(C(=O)[O-])cnc2Cl)c1 ZINC001591796160 976006997 /nfs/dbraw/zinc/00/69/97/976006997.db2.gz CLUOQIAPJORUTP-UHFFFAOYSA-N -1 0 349.774 3.864 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)CCn2cccc2)cc1 ZINC000675993502 976024662 /nfs/dbraw/zinc/02/46/62/976024662.db2.gz LOVVSUHQUIFMOF-KRWDZBQOSA-N -1 0 342.439 3.508 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000676001821 976026753 /nfs/dbraw/zinc/02/67/53/976026753.db2.gz NRWDWUZXAPKTLK-SNVBAGLBSA-N -1 0 335.762 3.995 20 0 EHADRM CC(C)Oc1ncc(Cl)cc1N[C@@H]1CC[C@H](CC(=O)[O-])[C@@H]1C ZINC001591811726 976047504 /nfs/dbraw/zinc/04/75/04/976047504.db2.gz UVNRZGVALFUTHD-DMDPSCGWSA-N -1 0 326.824 3.824 20 0 EHADRM CC1(C)Cc2cccc(CN[C@H](C(=O)[O-])c3cc(F)ccc3F)c2O1 ZINC000683173210 976079887 /nfs/dbraw/zinc/07/98/87/976079887.db2.gz HDJKKKPJZPFZOG-INIZCTEOSA-N -1 0 347.361 3.594 20 0 EHADRM C[C@](CNC(=O)CC1CCC(C)(C)CC1)(C(=O)[O-])c1ccccc1 ZINC000685024459 976094864 /nfs/dbraw/zinc/09/48/64/976094864.db2.gz MSPDVDQPFNELDO-HXUWFJFHSA-N -1 0 331.456 3.752 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000685023888 976095355 /nfs/dbraw/zinc/09/53/55/976095355.db2.gz DNQBLTKIMHPFED-VFNWGFHPSA-N -1 0 339.435 3.511 20 0 EHADRM CC(C)c1c(NCc2cc(C(=O)[O-])n(C)c2)cnn1-c1ccccc1 ZINC001591923444 976400755 /nfs/dbraw/zinc/40/07/55/976400755.db2.gz PKYWKPCGSIQPIM-UHFFFAOYSA-N -1 0 338.411 3.645 20 0 EHADRM CC(C)c1cc(NC(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)n[nH]1 ZINC001591936394 976459720 /nfs/dbraw/zinc/45/97/20/976459720.db2.gz WKDQAWULVMACHP-UHFFFAOYSA-N -1 0 340.742 3.668 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c(=O)[nH]1 ZINC001591943624 976482226 /nfs/dbraw/zinc/48/22/26/976482226.db2.gz ZBFCLMCCOHQXQE-UHFFFAOYSA-N -1 0 334.759 3.515 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)NCc2ccnc(C(=O)[O-])c2)cc1 ZINC001591947708 976493578 /nfs/dbraw/zinc/49/35/78/976493578.db2.gz RITBNMXFRLHZGH-AWEZNQCLSA-N -1 0 340.423 3.713 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)OCc2oncc2C(=O)[O-])cc1 ZINC001591949609 976508399 /nfs/dbraw/zinc/50/83/99/976508399.db2.gz XJVGEFCRGWCJEF-LBPRGKRZSA-N -1 0 331.368 3.733 20 0 EHADRM CC(C)c1ccc(NC(=O)[C@H]2CCc3cccc(O)c32)c(C(=O)[O-])c1 ZINC001591962685 976550399 /nfs/dbraw/zinc/55/03/99/976550399.db2.gz OPYTUJVSAPDPRG-AWEZNQCLSA-N -1 0 339.391 3.882 20 0 EHADRM CC(C)c1ccc2c(c1)CN(C(=O)c1ccsc1CC(=O)[O-])CC2 ZINC001591980212 976592935 /nfs/dbraw/zinc/59/29/35/976592935.db2.gz DBHGZFPVJBLKNJ-UHFFFAOYSA-N -1 0 343.448 3.697 20 0 EHADRM CC(C)c1cccc(C(C)C)c1NC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001591986779 976609248 /nfs/dbraw/zinc/60/92/48/976609248.db2.gz IDMFKTAWMLRWNM-BBRMVZONSA-N -1 0 348.443 3.639 20 0 EHADRM CC(C)c1ccsc1C(=O)N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001592003528 976661183 /nfs/dbraw/zinc/66/11/83/976661183.db2.gz UKMRWULFLMKWQV-VHSXEESVSA-N -1 0 349.374 3.597 20 0 EHADRM CC(C)c1ccccc1OCCC(=O)Nc1ccccc1C(=O)[O-] ZINC001592004883 976670802 /nfs/dbraw/zinc/67/08/02/976670802.db2.gz XTRCCXLAUOFWBV-UHFFFAOYSA-N -1 0 327.380 3.916 20 0 EHADRM CC(C)c1nc2ccccc2c(SCc2oncc2C(=O)[O-])n1 ZINC001592030272 976735404 /nfs/dbraw/zinc/73/54/04/976735404.db2.gz IBBLBKWGNIGPCS-UHFFFAOYSA-N -1 0 329.381 3.732 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)c3csc(C(=O)[O-])n3)cc2s1 ZINC001592031308 976740094 /nfs/dbraw/zinc/74/00/94/976740094.db2.gz AMRVHLNCQNXEPW-UHFFFAOYSA-N -1 0 347.421 3.827 20 0 EHADRM CC(C)c1ncc(C(=O)N(Cc2ccccc2)C(C)(C)C(=O)[O-])s1 ZINC001592031978 976742428 /nfs/dbraw/zinc/74/24/28/976742428.db2.gz LXMPAEHNMSEFMK-UHFFFAOYSA-N -1 0 346.452 3.772 20 0 EHADRM CC(C)c1nccn1Cc1cccc(N[C@H](C)[C@@H]2C[C@H]2C(=O)[O-])c1 ZINC001592039531 976762375 /nfs/dbraw/zinc/76/23/75/976762375.db2.gz LZRDQHYCNMCGIB-XOKHGSTOSA-N -1 0 327.428 3.576 20 0 EHADRM CC(C)c1sc(NC(=O)c2cc[nH]c2C2CCC2)nc1C(=O)[O-] ZINC001592114902 976911070 /nfs/dbraw/zinc/91/10/70/976911070.db2.gz NDJCDMVFVMLVME-UHFFFAOYSA-N -1 0 333.413 3.813 20 0 EHADRM CC(C)c1ccc(C2(C(=O)N[C@H](C)/C=C\C(=O)[O-])CCCC2)cc1 ZINC001592192065 977139443 /nfs/dbraw/zinc/13/94/43/977139443.db2.gz DJVWAWXYMGTTPK-UJNBGNEJSA-N -1 0 329.440 3.767 20 0 EHADRM C[C@@H](/C=C\C(=O)[O-])NC(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC001592202733 977221613 /nfs/dbraw/zinc/22/16/13/977221613.db2.gz DNFIFJUMLVTWQW-XURPKSDJSA-N -1 0 329.440 3.795 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C)c1ccccc1 ZINC001592261599 977502886 /nfs/dbraw/zinc/50/28/86/977502886.db2.gz FATUHDPLCCXDMQ-CYBMUJFWSA-N -1 0 326.396 3.583 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)Nc1cccc(C(F)F)c1)c1ccncc1 ZINC001592297415 977635780 /nfs/dbraw/zinc/63/57/80/977635780.db2.gz LKUUBTVZFYXLTQ-QGZVFWFLSA-N -1 0 349.337 3.531 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)Nc1cccc(OC2CCCC2)c1)C1CC1 ZINC001592297450 977636836 /nfs/dbraw/zinc/63/68/36/977636836.db2.gz MIGDAAWEHKCVML-IBGZPJMESA-N -1 0 346.427 3.773 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)c1ccc(-c2cccs2)s1)C1CC1 ZINC001592304926 977668842 /nfs/dbraw/zinc/66/88/42/977668842.db2.gz SQJATHADPKLFGF-MRXNPFEDSA-N -1 0 335.450 3.850 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N(Cc1cccs1)c1ccc(F)cc1 ZINC001592370669 977885601 /nfs/dbraw/zinc/88/56/01/977885601.db2.gz KHSIUPSXDTUMMM-GFCCVEGCSA-N -1 0 335.400 3.921 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N(C)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001592371370 977893704 /nfs/dbraw/zinc/89/37/04/977893704.db2.gz SLXLNEAGWQXAFJ-MRVPVSSYSA-N -1 0 337.725 3.823 20 0 EHADRM CC(C)OCc1cccc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000063640262 1014439378 /nfs/dbraw/zinc/43/93/78/1014439378.db2.gz RQYBUWUJBHOMEW-SFHVURJKSA-N -1 0 341.407 3.809 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)O[C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC001592394647 977945954 /nfs/dbraw/zinc/94/59/54/977945954.db2.gz DFCXJPWKNCBTAX-RNCFNFMXSA-N -1 0 346.301 3.617 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Oc1ccc(-c2cccnc2)cc1Cl ZINC001592402752 977970681 /nfs/dbraw/zinc/97/06/81/977970681.db2.gz PYPLXCNHAARXJD-NSHDSACASA-N -1 0 333.771 3.808 20 0 EHADRM COc1ccc(O)c([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000125694717 1014451217 /nfs/dbraw/zinc/45/12/17/1014451217.db2.gz NDVNQCJEEVOGOQ-UHFFFAOYSA-N -1 0 348.207 3.508 20 0 EHADRM C[C@@H](CC(=O)Oc1c(C(=O)[O-])ccc2ccccc21)[C@H]1CCCO1 ZINC001592434355 978073978 /nfs/dbraw/zinc/07/39/78/978073978.db2.gz XXCQWEYQWBQNCL-BLLLJJGKSA-N -1 0 328.364 3.649 20 0 EHADRM C[C@H](CC(C)(C)C)C(=O)N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC001592439789 978093934 /nfs/dbraw/zinc/09/39/34/978093934.db2.gz PGHUQFYXKGTPRX-LLVKDONJSA-N -1 0 338.473 3.620 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001592453686 978156015 /nfs/dbraw/zinc/15/60/15/978156015.db2.gz QRLOPMNFZMPTHR-GOEBONIOSA-N -1 0 346.471 3.543 20 0 EHADRM C[C@H](CCCC(F)(F)F)NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001592476999 978240080 /nfs/dbraw/zinc/24/00/80/978240080.db2.gz HBXWUCQVBKNXAT-MRVPVSSYSA-N -1 0 337.725 3.889 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC001592491788 978284662 /nfs/dbraw/zinc/28/46/62/978284662.db2.gz MTBMFBSADBNKCD-XLMAVXFVSA-N -1 0 331.456 3.746 20 0 EHADRM CC[C@@H](NC(=S)NCCc1ccc(C(=O)[O-])cc1)c1cccs1 ZINC000736920115 978366551 /nfs/dbraw/zinc/36/65/51/978366551.db2.gz NODMRXARCDLWES-CQSZACIVSA-N -1 0 348.493 3.604 20 0 EHADRM CCOC(=O)Nc1ccc(N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000737145885 978382684 /nfs/dbraw/zinc/38/26/84/978382684.db2.gz GRZJOWGOYBYSQW-OAHLLOKOSA-N -1 0 332.331 3.632 20 0 EHADRM C[C@@H](CCc1ccc(F)cc1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001592540350 978423621 /nfs/dbraw/zinc/42/36/21/978423621.db2.gz SEOINHPNQLUICM-NSHDSACASA-N -1 0 333.334 3.870 20 0 EHADRM Cc1ccc(OC(=O)CSc2ccc(F)c(F)c2)c(C(=O)[O-])c1 ZINC000738638440 978578933 /nfs/dbraw/zinc/57/89/33/978578933.db2.gz HDUNKBAWGYXNNK-UHFFFAOYSA-N -1 0 338.331 3.669 20 0 EHADRM Cc1cccc(NC(=O)CSc2nc3ccc(C(=O)[O-])cc3o2)c1 ZINC000738733731 978598241 /nfs/dbraw/zinc/59/82/41/978598241.db2.gz CYSBBWWZIFRTQW-UHFFFAOYSA-N -1 0 342.376 3.565 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccccc2N2CCCCCC2)C1 ZINC000739573913 978646224 /nfs/dbraw/zinc/64/62/24/978646224.db2.gz KYJPBSSCDJPYHS-HZPDHXFCSA-N -1 0 344.455 3.897 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N3CCC(CC(=O)[O-])CC3)[nH]c2c1 ZINC000746387003 978685287 /nfs/dbraw/zinc/68/52/87/978685287.db2.gz GBDBYGAVWVPYAH-UHFFFAOYSA-N -1 0 328.412 3.618 20 0 EHADRM CCN(CC(=O)[O-])C(=O)c1cc(-c2ccc(C)cc2)nc2ccccc21 ZINC000761602012 978711973 /nfs/dbraw/zinc/71/19/73/978711973.db2.gz HVKZQEMVSWVZNV-UHFFFAOYSA-N -1 0 348.402 3.757 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccc(F)cc1F ZINC000761661560 978713444 /nfs/dbraw/zinc/71/34/44/978713444.db2.gz CGPSNLITUKXJBL-VIFPVBQESA-N -1 0 337.297 3.934 20 0 EHADRM O=C([O-])CCNC(=O)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000766855399 978727504 /nfs/dbraw/zinc/72/75/04/978727504.db2.gz CDJWWOAQKZNWDQ-WJDWOHSUSA-N -1 0 347.773 3.611 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)/C=C\c1ccc(Cl)cc1)c1ccccc1 ZINC000767067649 978732643 /nfs/dbraw/zinc/73/26/43/978732643.db2.gz OLHIRMJSKQKZBM-QSNCDBEISA-N -1 0 343.810 3.931 20 0 EHADRM O=C([O-])CC1(NC(=O)c2ccc(SC(F)F)cc2)CCCCC1 ZINC000767059049 978732802 /nfs/dbraw/zinc/73/28/02/978732802.db2.gz XTLJUHLXGCRHJG-UHFFFAOYSA-N -1 0 343.395 3.909 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000767097158 978734837 /nfs/dbraw/zinc/73/48/37/978734837.db2.gz VCQDOAWDRUATPY-JTQLQIEISA-N -1 0 335.762 3.995 20 0 EHADRM CC/C(=C\C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1ccc(C)cc1 ZINC000777368874 978777454 /nfs/dbraw/zinc/77/74/54/978777454.db2.gz UOOYCTGIVRYGMW-ZRNYNZGJSA-N -1 0 349.430 3.999 20 0 EHADRM CC(C)(CNC(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccccc1F ZINC000811818629 978862410 /nfs/dbraw/zinc/86/24/10/978862410.db2.gz SDQJIWTYCXRBCC-UHFFFAOYSA-N -1 0 349.789 3.885 20 0 EHADRM CSc1cccc(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)c1 ZINC000818785935 978922979 /nfs/dbraw/zinc/92/29/79/978922979.db2.gz KYCURMREVPQNOI-UHFFFAOYSA-N -1 0 340.404 3.700 20 0 EHADRM O=C([O-])c1cn(CC(=O)N[C@@H](c2ccccc2)C2CC2)c2ccccc12 ZINC000819175471 978924526 /nfs/dbraw/zinc/92/45/26/978924526.db2.gz YIJUNPTYMYLEHE-FQEVSTJZSA-N -1 0 348.402 3.607 20 0 EHADRM C/C(=C\C(=O)N1CCC[C@@]1(C)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000823338171 978930076 /nfs/dbraw/zinc/93/00/76/978930076.db2.gz ADDBCTVTWHPSRN-SOGBHIHOSA-N -1 0 341.329 3.574 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1)C1CC1 ZINC001592683309 979111427 /nfs/dbraw/zinc/11/14/27/979111427.db2.gz XJQGUZCVXIHJJR-ZDUSSCGKSA-N -1 0 345.443 3.543 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c1C1CC1 ZINC001595027625 979146606 /nfs/dbraw/zinc/14/66/06/979146606.db2.gz ZMZVDNPWFMIBAN-UBHSHLNASA-N -1 0 333.432 3.561 20 0 EHADRM O=C([O-])c1ccc(F)c(NCc2ncc(-c3cccc(F)c3)o2)c1 ZINC000833318772 979156581 /nfs/dbraw/zinc/15/65/81/979156581.db2.gz FGMUXMJRFPUTHS-UHFFFAOYSA-N -1 0 330.290 3.930 20 0 EHADRM CC[C@H](CC(=O)N[C@H](C)[C@H](Cc1ccccc1)C(=O)[O-])C(C)(C)C ZINC001595034136 979181205 /nfs/dbraw/zinc/18/12/05/979181205.db2.gz ZWQDLLWDABZOGH-OIISXLGYSA-N -1 0 333.472 3.897 20 0 EHADRM CC[C@H](CC(=O)Oc1ccccc1C(=O)[O-])c1ccc(OC)cc1 ZINC001595036176 979191754 /nfs/dbraw/zinc/19/17/54/979191754.db2.gz OQSNGDORAUPQHD-CYBMUJFWSA-N -1 0 328.364 3.883 20 0 EHADRM CC[C@@H](CC(=O)Nc1cc2c(cc1C(=O)[O-])OCCCO2)C(C)(C)C ZINC001595037175 979203939 /nfs/dbraw/zinc/20/39/39/979203939.db2.gz RPRWLSMVJWJBAM-LBPRGKRZSA-N -1 0 349.427 3.947 20 0 EHADRM CC[C@@H](CC(F)(F)F)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001595038231 979207799 /nfs/dbraw/zinc/20/77/99/979207799.db2.gz DEKMXAQRZLFQBS-QMMMGPOBSA-N -1 0 328.290 3.783 20 0 EHADRM CC[C@H](CC(F)F)C(=O)N[C@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC001595042436 979234365 /nfs/dbraw/zinc/23/43/65/979234365.db2.gz LWHWQRBAADUPRC-ZWNOBZJWSA-N -1 0 345.411 3.722 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCN2C(=O)c1cccc(CC(=O)[O-])c1 ZINC000836742394 979251524 /nfs/dbraw/zinc/25/15/24/979251524.db2.gz NYDKEDNBGJQNRH-UHFFFAOYSA-N -1 0 337.419 3.814 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)CSc1nc2ccc(F)cc2s1 ZINC001595045772 979255298 /nfs/dbraw/zinc/25/52/98/979255298.db2.gz VBJUVOLOVCEUQH-UHFFFAOYSA-N -1 0 341.429 3.988 20 0 EHADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccccc1SCc1ccco1 ZINC000836757484 979266031 /nfs/dbraw/zinc/26/60/31/979266031.db2.gz IWVCZTRGFRHMHZ-JSGCOSHPSA-N -1 0 345.420 3.507 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)/C=C\Sc1cc(F)ccc1F ZINC001595049467 979273239 /nfs/dbraw/zinc/27/32/39/979273239.db2.gz KZKGZAAAKOVCAS-FPLPWBNLSA-N -1 0 343.395 3.720 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1cc(Cl)c(Cl)cn1 ZINC001595050858 979281212 /nfs/dbraw/zinc/28/12/12/979281212.db2.gz FOTWAOFKIOGTMO-UHFFFAOYSA-N -1 0 334.203 3.543 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Nc1cc(F)ccc1OC(C)C ZINC001595051046 979281991 /nfs/dbraw/zinc/28/19/91/979281991.db2.gz KVRMMTCMXWFORC-UHFFFAOYSA-N -1 0 340.395 3.768 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC001595053782 979289513 /nfs/dbraw/zinc/28/95/13/979289513.db2.gz YPOJSEKYTLUTLY-UHFFFAOYSA-N -1 0 335.297 3.608 20 0 EHADRM CCC(CC)(CC)CNC(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001595057708 979302020 /nfs/dbraw/zinc/30/20/20/979302020.db2.gz FMWAYCPZFBDVRP-FQEVSTJZSA-N -1 0 346.471 3.641 20 0 EHADRM C[C@@](COC(=O)C[C@@]1(C)CC1(Cl)Cl)(C(=O)[O-])c1ccccc1 ZINC001592764936 979368174 /nfs/dbraw/zinc/36/81/74/979368174.db2.gz MQMYJTYRSAAQOO-GJZGRUSLSA-N -1 0 345.222 3.546 20 0 EHADRM Cc1ccc2c(CN3CC[C@H](C(=O)[O-])c4ccccc43)cc(=O)oc2c1 ZINC000844240532 979385227 /nfs/dbraw/zinc/38/52/27/979385227.db2.gz IERVXANAGNSUAJ-KRWDZBQOSA-N -1 0 349.386 3.680 20 0 EHADRM C[C@@H](COCC1CCCCC1)NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001592775595 979400242 /nfs/dbraw/zinc/40/02/42/979400242.db2.gz KGCNEYAHFCTGOH-HNNXBMFYSA-N -1 0 339.476 3.513 20 0 EHADRM CCC(CC)(NC(=O)c1cc2cccc(Cl)c2s1)C(=O)[O-] ZINC001595098255 979401820 /nfs/dbraw/zinc/40/18/20/979401820.db2.gz YVCWEAAJPFNNAW-UHFFFAOYSA-N -1 0 325.817 3.928 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC000846129232 979412384 /nfs/dbraw/zinc/41/23/84/979412384.db2.gz VKLUEROWIZUUAS-GFCCVEGCSA-N -1 0 347.436 3.527 20 0 EHADRM CCC(CC)[C@H](C)C(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001595105265 979421308 /nfs/dbraw/zinc/42/13/08/979421308.db2.gz HVRQYDKNXDAETA-LRDDRELGSA-N -1 0 331.412 3.617 20 0 EHADRM CCC(CC)CN(CC)C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001595111786 979460693 /nfs/dbraw/zinc/46/06/93/979460693.db2.gz VQHBKQMWXFNRJG-UHFFFAOYSA-N -1 0 327.812 3.723 20 0 EHADRM CCC(CC)N(CC(C)C)S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001595114471 979465368 /nfs/dbraw/zinc/46/53/68/979465368.db2.gz PEBMMTJJNFSJNZ-UHFFFAOYSA-N -1 0 341.473 3.529 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)o1 ZINC000851593956 979504301 /nfs/dbraw/zinc/50/43/01/979504301.db2.gz DVOKMZWGDMJJOS-PTTWRRFTSA-N -1 0 339.391 3.519 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)c2ccc(/C=C/C(=O)[O-])o2)c1 ZINC000851594279 979505626 /nfs/dbraw/zinc/50/56/26/979505626.db2.gz HJVBKSCKLGNRSV-XAVKZTDYSA-N -1 0 325.364 3.663 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1ccc(/C=C/C(=O)[O-])o1)c1cccs1 ZINC000851596334 979511364 /nfs/dbraw/zinc/51/13/64/979511364.db2.gz UWWPTJGXFAFZNX-STMXVASLSA-N -1 0 333.409 3.956 20 0 EHADRM C[C@](Cc1ccccc1)(NC(=O)c1ccc(/C=C\C(=O)[O-])o1)C1CC1 ZINC000851621787 979552764 /nfs/dbraw/zinc/55/27/64/979552764.db2.gz CUJPYUGJAFEHBC-QXHGNLAOSA-N -1 0 339.391 3.519 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)Nc1cnc(C(=O)[O-])cn1 ZINC001592840345 979605295 /nfs/dbraw/zinc/60/52/95/979605295.db2.gz YAPTZPILJCKWGA-MRVPVSSYSA-N -1 0 326.183 3.525 20 0 EHADRM CC[C@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1)Oc1cccc(F)c1 ZINC001595153345 979652763 /nfs/dbraw/zinc/65/27/63/979652763.db2.gz WIONZANMQIRONO-OAHLLOKOSA-N -1 0 346.358 3.503 20 0 EHADRM CC[C@@H](CNC(=O)Nc1ccccc1COC(C)(C)CC)C(=O)[O-] ZINC001595153883 979656686 /nfs/dbraw/zinc/65/66/86/979656686.db2.gz HHJIYSHDNQZFHR-ZDUSSCGKSA-N -1 0 336.432 3.624 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)C[C@@]2(C)CC2(Cl)Cl)cc1)C(=O)[O-] ZINC001592857852 979667225 /nfs/dbraw/zinc/66/72/25/979667225.db2.gz AHTPPKKMIPDSQB-BMIGLBTASA-N -1 0 344.238 3.862 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)C(C)(C)Nc2ccccc2)cc1)C(=O)[O-] ZINC001592859151 979680529 /nfs/dbraw/zinc/68/05/29/979680529.db2.gz ZSAUIXVTQHYGRT-CQSZACIVSA-N -1 0 340.423 3.779 20 0 EHADRM Cc1cc2c(CC(=O)N3CCC4(C[C@H]4C(=O)[O-])CC3)csc2s1 ZINC000864100042 979682584 /nfs/dbraw/zinc/68/25/84/979682584.db2.gz PCCVQGIWBKDHKL-ZDUSSCGKSA-N -1 0 349.477 3.527 20 0 EHADRM COc1ccc([C@@H](NC(=O)/C=C/c2cc(C(=O)[O-])co2)C(C)C)cc1 ZINC000864101090 979684693 /nfs/dbraw/zinc/68/46/93/979684693.db2.gz JHNSRDWWEMKGKF-BLGFXRMMSA-N -1 0 343.379 3.513 20 0 EHADRM Cc1ccc(C(=O)N(Cc2ccccc2F)C2CC2)cc1C(=O)[O-] ZINC000864101406 979684882 /nfs/dbraw/zinc/68/48/82/979684882.db2.gz YSTXCPWWPDIZKJ-UHFFFAOYSA-N -1 0 327.355 3.637 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N2CCC[C@H](CCF)C2)cc1)C(=O)[O-] ZINC001592860606 979692055 /nfs/dbraw/zinc/69/20/55/979692055.db2.gz KCMIKQSTYPDYJV-UKRRQHHQSA-N -1 0 336.407 3.553 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N(C)Cc2cccs2)cc1)C(=O)[O-] ZINC001592861224 979696866 /nfs/dbraw/zinc/69/68/66/979696866.db2.gz QHCJZPOGZIUUOD-LBPRGKRZSA-N -1 0 332.425 3.675 20 0 EHADRM CC[C@H](CNC(=O)c1ccccc1Nc1cccc(C)c1C)C(=O)[O-] ZINC001595163657 979700353 /nfs/dbraw/zinc/70/03/53/979700353.db2.gz VRCBLIJAJMVYSQ-OAHLLOKOSA-N -1 0 340.423 3.888 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)/C=C/c1ccsc1C(F)(F)F ZINC000864111956 979703396 /nfs/dbraw/zinc/70/33/96/979703396.db2.gz AMNAVNZDWQJSDY-ONEGZZNKSA-N -1 0 349.374 3.739 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)cc1C(=O)[O-] ZINC000864113904 979705903 /nfs/dbraw/zinc/70/59/03/979705903.db2.gz WZSPWGGAHCMKDR-CRAIPNDOSA-N -1 0 337.419 3.959 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N[C@@H]2CC3CCC2CC3)cc1)C(=O)[O-] ZINC001592866962 979713288 /nfs/dbraw/zinc/71/32/88/979713288.db2.gz NCDXGZZGUKSRLB-UEPNXXICSA-N -1 0 330.428 3.650 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N[C@@H](C)c2ccsc2)cc1)C(=O)[O-] ZINC001592867374 979714560 /nfs/dbraw/zinc/71/45/60/979714560.db2.gz PEJBPYLLWTYLHH-NEPJUHHUSA-N -1 0 332.425 3.894 20 0 EHADRM COc1cc(C)cc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1C ZINC000864120617 979716326 /nfs/dbraw/zinc/71/63/26/979716326.db2.gz ZJRMJRUJYBYELI-KSSFIOAISA-N -1 0 341.407 3.504 20 0 EHADRM CC[C@H](CC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1)C(C)(C)C ZINC000864150584 979760599 /nfs/dbraw/zinc/76/05/99/979760599.db2.gz VDMUMWZOLGWKHQ-FOIQADDNSA-N -1 0 331.456 3.704 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)N(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001592885803 979771660 /nfs/dbraw/zinc/77/16/60/979771660.db2.gz SRCCQZZMUXGJMG-NSHDSACASA-N -1 0 348.349 3.758 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001592891612 979784313 /nfs/dbraw/zinc/78/43/13/979784313.db2.gz QXEFBMAEPFWDLK-GFCCVEGCSA-N -1 0 343.810 3.806 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001592896619 979798493 /nfs/dbraw/zinc/79/84/93/979798493.db2.gz QQISCMYBQNGDGI-BFUOFWGJSA-N -1 0 335.419 3.544 20 0 EHADRM CC[C@@H](c1ccccc1OC)N(C)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000864178014 979823077 /nfs/dbraw/zinc/82/30/77/979823077.db2.gz VTZOLJNURAKVNA-WQTVUKCASA-N -1 0 343.379 3.609 20 0 EHADRM Cc1cc(CNC(=O)c2cc3c(cccc3C3CC3)[nH]2)oc1C(=O)[O-] ZINC000864190558 979843281 /nfs/dbraw/zinc/84/32/81/979843281.db2.gz BZUSGCBSAJXAQJ-UHFFFAOYSA-N -1 0 338.363 3.575 20 0 EHADRM C[C@@H](Cc1cncc2ccccc21)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001592908707 979866501 /nfs/dbraw/zinc/86/65/01/979866501.db2.gz HOLCYMFVXYNGHB-AWEZNQCLSA-N -1 0 348.402 3.679 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)c1sc2ccccc2c1Cl)C1CC1 ZINC000864198042 979867970 /nfs/dbraw/zinc/86/79/70/979867970.db2.gz PTEDXJGILAZNKI-INIZCTEOSA-N -1 0 337.828 3.928 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)C1CCC(c2ccccc2)CC1)C1CC1 ZINC000864199837 979875238 /nfs/dbraw/zinc/87/52/38/979875238.db2.gz MGVTZJXACABURL-PMTKGXAQSA-N -1 0 329.440 3.720 20 0 EHADRM C[C@H](Cc1noc(-c2ccc(OCC(=O)[O-])cc2)n1)c1ccccc1 ZINC001592913084 979885255 /nfs/dbraw/zinc/88/52/55/979885255.db2.gz UIPMECJVSIJBGT-CYBMUJFWSA-N -1 0 338.363 3.546 20 0 EHADRM C[C@H](CC(=O)N[C@@](C)(CC(=O)[O-])C1CC1)Cc1ccc(Cl)cc1 ZINC000864204286 979885754 /nfs/dbraw/zinc/88/57/54/979885754.db2.gz VVFONMTYTFPZAN-SGTLLEGYSA-N -1 0 337.847 3.668 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)c1cc2c(ccc3ccccc23)[nH]1)C1CC1 ZINC000864204394 979886807 /nfs/dbraw/zinc/88/68/07/979886807.db2.gz YCUKGNQDIQMSIL-FQEVSTJZSA-N -1 0 336.391 3.694 20 0 EHADRM CC1(C)[C@@H](c2ccccc2F)CCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000864216762 979905547 /nfs/dbraw/zinc/90/55/47/979905547.db2.gz HXTJARHWUKTOOF-GFCCVEGCSA-N -1 0 347.411 3.994 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)nc1 ZINC000864226559 979912951 /nfs/dbraw/zinc/91/29/51/979912951.db2.gz JVSGXOKXZAVMQJ-CYBMUJFWSA-N -1 0 338.407 3.598 20 0 EHADRM C[C@@H](Cn1ccc2ccccc21)C(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC001592919179 979915091 /nfs/dbraw/zinc/91/50/91/979915091.db2.gz YVTGNFDRCXXZTI-KSSFIOAISA-N -1 0 337.375 3.647 20 0 EHADRM CC[C@@H](CSC)NC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001595203097 979961269 /nfs/dbraw/zinc/96/12/69/979961269.db2.gz JWLLLFAGIFBPCM-JTQLQIEISA-N -1 0 338.454 3.863 20 0 EHADRM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccccc1C(=O)[O-] ZINC001595204209 979974459 /nfs/dbraw/zinc/97/44/59/979974459.db2.gz BWZXSAQKSCFAIV-CQSZACIVSA-N -1 0 331.799 3.789 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC001595211141 979988928 /nfs/dbraw/zinc/98/89/28/979988928.db2.gz QDTHXQOJYYWOCI-FUHWJXTLSA-N -1 0 325.408 3.506 20 0 EHADRM CC[C@@H](NC(=O)/C(=C/c1cccc(Cl)c1)c1cccs1)C(=O)[O-] ZINC001595230768 980100067 /nfs/dbraw/zinc/10/00/67/980100067.db2.gz RTGJHIKDZHVZDR-JWAFFJSPSA-N -1 0 349.839 3.922 20 0 EHADRM COc1ccc2c(c1)CC[C@@H]2C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000872731256 980123572 /nfs/dbraw/zinc/12/35/72/980123572.db2.gz ZMBLWOMRLATMFZ-XIKOKIGWSA-N -1 0 339.391 3.552 20 0 EHADRM CC[C@@](NC(=O)[C@@H]1CCCC12CC2)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595237874 980151461 /nfs/dbraw/zinc/15/14/61/980151461.db2.gz YCJRDSGKJXWFAP-KSSFIOAISA-N -1 0 335.831 3.726 20 0 EHADRM CC[C@H](NC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccc(C)cc1 ZINC001595251260 980210786 /nfs/dbraw/zinc/21/07/86/980210786.db2.gz YJVGIOOXAKKEGZ-AAEUAGOBSA-N -1 0 347.440 3.661 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)CC[C@H]2CCc3ccccc32)C1 ZINC000887326386 980216946 /nfs/dbraw/zinc/21/69/46/980216946.db2.gz APPVCHDSWWTUDN-NVXWUHKLSA-N -1 0 329.440 3.600 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccc(Cl)c3occc32)C1 ZINC000899299679 980226043 /nfs/dbraw/zinc/22/60/43/980226043.db2.gz ZQWWGXDWCQTLGT-NSHDSACASA-N -1 0 335.787 3.803 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1)c1ccncc1 ZINC001595256574 980237581 /nfs/dbraw/zinc/23/75/81/980237581.db2.gz CNALIFSDHMRDRH-GUYCJALGSA-N -1 0 341.411 3.618 20 0 EHADRM C[C@H](NC(=O)C[C@H]1CCCCC1(C)C)c1ccc(OCC(=O)[O-])cc1 ZINC001593014123 980252568 /nfs/dbraw/zinc/25/25/68/980252568.db2.gz DRBZQMRKQNPIPT-GOEBONIOSA-N -1 0 347.455 3.934 20 0 EHADRM Cc1nc2cccc(Cl)c2cc1C(=O)NC(C)(C)CCC(=O)[O-] ZINC000901448801 980292159 /nfs/dbraw/zinc/29/21/59/980292159.db2.gz MZYGLXOSIKWJOQ-UHFFFAOYSA-N -1 0 334.803 3.570 20 0 EHADRM COc1ccc(NCc2ccc(/C=C/C(=O)[O-])o2)cc1OC(C)C ZINC000901451309 980293573 /nfs/dbraw/zinc/29/35/73/980293573.db2.gz RDRBTUJNKNTCAB-VQHVLOKHSA-N -1 0 331.368 3.785 20 0 EHADRM CC[C@@](NCc1ncoc1C(C)C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595305813 980451669 /nfs/dbraw/zinc/45/16/69/980451669.db2.gz MVCRRITZKWZMPC-KRWDZBQOSA-N -1 0 336.819 3.931 20 0 EHADRM CC[C@@H](Nc1ccc(OC2COC2)cc1)c1ccc(C(=O)[O-])cc1 ZINC001595318209 980499121 /nfs/dbraw/zinc/49/91/21/980499121.db2.gz HSZYNKQBDUHKSN-GOSISDBHSA-N -1 0 327.380 3.726 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(CN[C@@H](CC(F)(F)F)C(=O)[O-])o1 ZINC000901777377 980507225 /nfs/dbraw/zinc/50/72/25/980507225.db2.gz BLXYNOIZRSFENS-ZDUSSCGKSA-N -1 0 345.292 3.889 20 0 EHADRM COc1cc(CNc2cccc([C@H](C)C(=O)[O-])c2)cc(OC)c1OC ZINC000901815050 980536186 /nfs/dbraw/zinc/53/61/86/980536186.db2.gz IHYNEBCYONDGDI-LBPRGKRZSA-N -1 0 345.395 3.513 20 0 EHADRM CC[C@H](OC(=O)c1cc(C(=O)[O-])ccn1)C(C)(C)c1ccccc1 ZINC001595344733 980628362 /nfs/dbraw/zinc/62/83/62/980628362.db2.gz NKMXXNULNLAOTQ-INIZCTEOSA-N -1 0 327.380 3.693 20 0 EHADRM CC[C@@H](OC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1cccc(Br)c1 ZINC001595345238 980630780 /nfs/dbraw/zinc/63/07/80/980630780.db2.gz RKOXCRMAVLIVQV-NTZNESFSSA-N -1 0 341.201 3.554 20 0 EHADRM C[C@@H]1CN(Cc2ccc(-c3ccccc3)c(Cl)c2)C[C@@H](C(=O)[O-])O1 ZINC000901929241 980634501 /nfs/dbraw/zinc/63/45/01/980634501.db2.gz BDQGCCSWHRWASG-ACJLOTCBSA-N -1 0 345.826 3.681 20 0 EHADRM CC[C@H](OC(=O)c1cncc(C(=O)[O-])c1)c1cccc(Cl)c1F ZINC001595353105 980677128 /nfs/dbraw/zinc/67/71/28/980677128.db2.gz MSNAUVHCVPEOKC-ZDUSSCGKSA-N -1 0 337.734 3.880 20 0 EHADRM CC[C@@H](OC(=O)c1cncc(C(=O)[O-])c1)c1cccc(Cl)c1F ZINC001595353104 980677344 /nfs/dbraw/zinc/67/73/44/980677344.db2.gz MSNAUVHCVPEOKC-CYBMUJFWSA-N -1 0 337.734 3.880 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-] ZINC001595355564 980703136 /nfs/dbraw/zinc/70/31/36/980703136.db2.gz DGHHQIQSJHZBKF-INIZCTEOSA-N -1 0 341.492 3.710 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001595355794 980705879 /nfs/dbraw/zinc/70/58/79/980705879.db2.gz MVPHPQQQPYHHSP-FGTMMUONSA-N -1 0 345.439 3.544 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)c1nc(-c2cc(C(=O)[O-])co2)no1 ZINC001595356348 980711540 /nfs/dbraw/zinc/71/15/40/980711540.db2.gz BRUZVXQAOLUHAT-ZDUSSCGKSA-N -1 0 328.324 3.866 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)OCc1ccsc1C(=O)[O-] ZINC001595356924 980717273 /nfs/dbraw/zinc/71/72/73/980717273.db2.gz NKYQTJSXBBJZQR-CQSZACIVSA-N -1 0 334.393 3.656 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)O[C@@H](C(=O)[O-])c1ccsc1 ZINC001595357178 980719798 /nfs/dbraw/zinc/71/97/98/980719798.db2.gz UUBOFPBOYXFFBG-LSDHHAIUSA-N -1 0 334.393 3.583 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001595357461 980722912 /nfs/dbraw/zinc/72/29/12/980722912.db2.gz ZXYVKXUXZNMHGR-IAGOWNOFSA-N -1 0 347.455 3.550 20 0 EHADRM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])n1C ZINC001595359427 980741573 /nfs/dbraw/zinc/74/15/73/980741573.db2.gz AJBHZHAPAIBJQA-HZPDHXFCSA-N -1 0 340.423 3.522 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cccc2cnccc21 ZINC001595360074 980748130 /nfs/dbraw/zinc/74/81/30/980748130.db2.gz CBDNACYMLLXDQA-LJQANCHMSA-N -1 0 348.402 3.913 20 0 EHADRM CC[C@@H](c1ccc(F)cc1)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001595360535 980752357 /nfs/dbraw/zinc/75/23/57/980752357.db2.gz YLBFJSVQWLUWDV-KRWDZBQOSA-N -1 0 329.371 3.870 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)Cc1cccc(C)c1 ZINC001595361928 980766572 /nfs/dbraw/zinc/76/65/72/980766572.db2.gz RPACUFOFGSNLQB-GOSISDBHSA-N -1 0 325.408 3.602 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)Cc1ccc(C)c(C)c1 ZINC001595361945 980766804 /nfs/dbraw/zinc/76/68/04/980766804.db2.gz RZNLFSVMIWBCHB-LJQANCHMSA-N -1 0 339.435 3.910 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1cnc2ccccc2n1 ZINC001595362729 980774232 /nfs/dbraw/zinc/77/42/32/980774232.db2.gz ODZUWBPWWZKGKQ-LJQANCHMSA-N -1 0 335.407 3.668 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(C)C)C(=O)CCSCC(=O)[O-] ZINC001595363095 980778163 /nfs/dbraw/zinc/77/81/63/980778163.db2.gz ANDZCUFEUGYNKT-MRXNPFEDSA-N -1 0 337.485 3.830 20 0 EHADRM CC[C@H](c1ccccc1)N(CC)C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001595363143 980779056 /nfs/dbraw/zinc/77/90/56/980779056.db2.gz BYPRGIUHXDHWLW-OAHLLOKOSA-N -1 0 327.384 3.785 20 0 EHADRM CCc1cccc2c1OCC[C@H]2NCc1ccc(/C=C\C(=O)[O-])o1 ZINC000902212353 980784625 /nfs/dbraw/zinc/78/46/25/980784625.db2.gz BTMVNCPJLZRCLI-XZVRFQMRSA-N -1 0 327.380 3.553 20 0 EHADRM Cc1ccc(N[C@@H]2CCC[C@H](CCCC(=O)[O-])C2)cc1C(=O)N(C)C ZINC000902337789 980838137 /nfs/dbraw/zinc/83/81/37/980838137.db2.gz MJFJOXSCVTVCPP-HZPDHXFCSA-N -1 0 346.471 3.922 20 0 EHADRM CC[C@]1(C)Oc2ccc(N[C@H](C)c3cncc(C(=O)[O-])c3)cc2O1 ZINC001595372825 980866360 /nfs/dbraw/zinc/86/63/60/980866360.db2.gz WKHDCAWLQDLPJU-ADLMAVQZSA-N -1 0 328.368 3.850 20 0 EHADRM Cc1nn(CCC(=O)[O-])c(C)c1CNc1cccc2ccsc21 ZINC000902413347 980876539 /nfs/dbraw/zinc/87/65/39/980876539.db2.gz UBIBPTCSKZFGCI-UHFFFAOYSA-N -1 0 329.425 3.801 20 0 EHADRM CCC1(CC)CCCN1C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001595375231 980893638 /nfs/dbraw/zinc/89/36/38/980893638.db2.gz ZPVLUBSLTVVWHJ-UHFFFAOYSA-N -1 0 339.461 3.692 20 0 EHADRM CCC1(CC)CN(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC001595375245 980893712 /nfs/dbraw/zinc/89/37/12/980893712.db2.gz AHGZBTSYBWNZND-OAHLLOKOSA-N -1 0 332.444 3.670 20 0 EHADRM CCC1(CC)CN([C@@H](C)C(=O)[O-])c2ccc(Br)cc21 ZINC001595375567 980896937 /nfs/dbraw/zinc/89/69/37/980896937.db2.gz RGIINAYLWZZTRR-JTQLQIEISA-N -1 0 326.234 3.800 20 0 EHADRM C[C@@H]1[C@@H](CC(=O)[O-])CC[C@H]1NCC(F)(F)c1ccc(F)cc1F ZINC000902497046 980910691 /nfs/dbraw/zinc/91/06/91/980910691.db2.gz NDRNZVQLELKAPY-GPCCPHFNSA-N -1 0 333.325 3.536 20 0 EHADRM CCc1nn(C)c(CC)c1CNc1ccc(SC)c(C(=O)[O-])c1 ZINC000902569217 980938431 /nfs/dbraw/zinc/93/84/31/980938431.db2.gz GKWLDICKPKGPHF-UHFFFAOYSA-N -1 0 333.457 3.577 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N(Cc2cccc(F)c2)C2CCC2)C1 ZINC000902840453 980945871 /nfs/dbraw/zinc/94/58/71/980945871.db2.gz CBQLYTPKTAZIQB-HUUCEWRRSA-N -1 0 333.403 3.598 20 0 EHADRM CC[C@@H]1C[C@@H](CC(=O)N2CCCc3c(C(=O)[O-])ccc(C)c32)CCO1 ZINC001595407854 980995331 /nfs/dbraw/zinc/99/53/31/980995331.db2.gz FNWVPXAUZHRJBX-LSDHHAIUSA-N -1 0 345.439 3.568 20 0 EHADRM CC[C@H]1C[C@@H](CC(=O)Nc2cccc(C(=O)[O-])c2Cl)CCO1 ZINC001595413899 981018533 /nfs/dbraw/zinc/01/85/33/981018533.db2.gz UTPZTCOXOUPPRD-QWRGUYRKSA-N -1 0 325.792 3.572 20 0 EHADRM CCC1CCC(NC(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)(C(=O)[O-])CC1 ZINC001595420926 981039512 /nfs/dbraw/zinc/03/95/12/981039512.db2.gz QFNCWVMDHITKMV-BTSCJYARSA-N -1 0 347.430 3.859 20 0 EHADRM CCC1CCC(NC(=O)Cc2c(C)oc3ccccc32)(C(=O)[O-])CC1 ZINC001595422314 981041759 /nfs/dbraw/zinc/04/17/59/981041759.db2.gz OXIUTGFEWYGNER-UHFFFAOYSA-N -1 0 343.423 3.824 20 0 EHADRM CC[C@@H]1CCC[C@@H]1C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001595436658 981070186 /nfs/dbraw/zinc/07/01/86/981070186.db2.gz TZIFIIBLAWUOLD-XYPHTWIQSA-N -1 0 329.440 3.747 20 0 EHADRM CO[C@H](C(=O)Nc1ccc(SC)c(C(=O)[O-])c1)C1CCCCC1 ZINC000905043361 981086600 /nfs/dbraw/zinc/08/66/00/981086600.db2.gz DQIHQAHAMWUKHK-HNNXBMFYSA-N -1 0 337.441 3.641 20 0 EHADRM CC[C@H](OCCN(C)[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000905373374 981096230 /nfs/dbraw/zinc/09/62/30/981096230.db2.gz NEJOGKFYIIMXSQ-RBUKOAKNSA-N -1 0 327.424 3.912 20 0 EHADRM CC(C)(C)[C@@H](NCc1ccc(C(=O)[O-])cn1)c1ccc(F)cc1F ZINC000905726485 981125355 /nfs/dbraw/zinc/12/53/55/981125355.db2.gz RSCSKUIWFQARHI-INIZCTEOSA-N -1 0 334.366 3.935 20 0 EHADRM O=C([O-])c1ccc(CNC2(c3ccc(Cl)c(Cl)c3)CC2)nc1 ZINC000905727557 981126230 /nfs/dbraw/zinc/12/62/30/981126230.db2.gz JLBDRJFLAHHPAY-UHFFFAOYSA-N -1 0 337.206 3.866 20 0 EHADRM CC[C@@H]1CCC[C@@H]1NC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001595459155 981136361 /nfs/dbraw/zinc/13/63/61/981136361.db2.gz WFYUJAUXLNOICW-QBIMZIAESA-N -1 0 344.455 3.683 20 0 EHADRM CCC1CCN(C(=O)Nc2cccc(SCCC(=O)[O-])c2)CC1 ZINC001595460210 981143381 /nfs/dbraw/zinc/14/33/81/981143381.db2.gz SASMMYQXSLRXGR-UHFFFAOYSA-N -1 0 336.457 3.907 20 0 EHADRM CCC(C)(C)c1ccccc1C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000907548616 981186964 /nfs/dbraw/zinc/18/69/64/981186964.db2.gz AEIOEJWDYMQLQX-INIZCTEOSA-N -1 0 329.440 3.701 20 0 EHADRM CC[C@@H]1CN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CCCO1 ZINC001595480558 981198066 /nfs/dbraw/zinc/19/80/66/981198066.db2.gz KBEFMVDOQDHVKS-KGLIPLIRSA-N -1 0 332.227 3.620 20 0 EHADRM Cc1ccc([C@H](CNC(=O)c2ccccc2C2CCC2)C(=O)[O-])cc1 ZINC000907595061 981198154 /nfs/dbraw/zinc/19/81/54/981198154.db2.gz ZUIDJAHTVAKVFL-IBGZPJMESA-N -1 0 337.419 3.861 20 0 EHADRM CC[C@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2)c2cccc(Cl)c2O1 ZINC001595480892 981199437 /nfs/dbraw/zinc/19/94/37/981199437.db2.gz PLONTAMBYWKYHC-ZDUSSCGKSA-N -1 0 345.782 3.856 20 0 EHADRM CC[C@@H]1CN(C(=O)c2cccc(C(=O)[O-])c2)c2cccc(Cl)c2O1 ZINC001595481064 981200170 /nfs/dbraw/zinc/20/01/70/981200170.db2.gz QYWARLXWJAKJPN-CYBMUJFWSA-N -1 0 345.782 3.856 20 0 EHADRM Cc1cccc2oc(C(=O)N3CCC[C@@H](C(C)(C)C(=O)[O-])C3)cc21 ZINC000907629185 981202162 /nfs/dbraw/zinc/20/21/62/981202162.db2.gz OTXBLDHBPRUUJI-CYBMUJFWSA-N -1 0 329.396 3.704 20 0 EHADRM CC[C@@H]1CN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)C[C@H](CC)O1 ZINC001595482955 981210335 /nfs/dbraw/zinc/21/03/35/981210335.db2.gz JADQLZOIAXBVBH-ZOWXZIJZSA-N -1 0 345.361 3.721 20 0 EHADRM CC[C@H]1CN(Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)C[C@@H](C)O1 ZINC001595489884 981240024 /nfs/dbraw/zinc/24/00/24/981240024.db2.gz WLGMCEKLENGFQU-CJNGLKHVSA-N -1 0 329.396 3.644 20 0 EHADRM O=C([O-])c1ccccc1-c1ccccc1C(=O)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000908095647 981260603 /nfs/dbraw/zinc/26/06/03/981260603.db2.gz LBBUAEWKAUZSNE-BIENJYKASA-N -1 0 335.403 3.970 20 0 EHADRM CC[C@@H]1c2ccsc2CCN1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001595504616 981279418 /nfs/dbraw/zinc/27/94/18/981279418.db2.gz OTVWLGDXRTYRMN-OAHLLOKOSA-N -1 0 341.436 3.832 20 0 EHADRM O=C(/C=C\SCc1ccco1)NCCCCC1(C(=O)[O-])CCC1 ZINC000908338569 981303861 /nfs/dbraw/zinc/30/38/61/981303861.db2.gz KVAQNAUCWMWDDD-SDQBBNPISA-N -1 0 337.441 3.568 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)C2(c3ccc(F)cc3)CCC2)CCC1 ZINC000908341791 981305104 /nfs/dbraw/zinc/30/51/04/981305104.db2.gz DVQUDISKHDICEL-UHFFFAOYSA-N -1 0 347.430 3.789 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)CCSc2ccccc2)CCC1 ZINC000908353673 981306900 /nfs/dbraw/zinc/30/69/00/981306900.db2.gz FQRZEXVBMPKRAZ-UHFFFAOYSA-N -1 0 335.469 3.710 20 0 EHADRM COc1c(NC(=O)CC2CC(c3ccccc3)C2)cccc1C(=O)[O-] ZINC000908502507 981319178 /nfs/dbraw/zinc/31/91/78/981319178.db2.gz ZZTWVCUTGMKUSC-UHFFFAOYSA-N -1 0 339.391 3.916 20 0 EHADRM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccoc1CC(=O)[O-] ZINC000908767409 981357882 /nfs/dbraw/zinc/35/78/82/981357882.db2.gz BXFVDNXOYBSQEV-DOTOQJQBSA-N -1 0 341.407 3.705 20 0 EHADRM CC(C)n1cc2cc(NC(=O)C34CCC(C(=O)[O-])(CC3)C4)ccc2n1 ZINC000908799455 981364437 /nfs/dbraw/zinc/36/44/37/981364437.db2.gz SXZWBMLYTJDQKQ-UHFFFAOYSA-N -1 0 341.411 3.591 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)Nc1ccc(OCc2ccccc2)cc1C ZINC000908807157 981365888 /nfs/dbraw/zinc/36/58/88/981365888.db2.gz MTARTJDZHLDCCQ-INIZCTEOSA-N -1 0 327.380 3.623 20 0 EHADRM CCC[C@@H](C(=O)N1CCC[C@](C)(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001595532185 981371262 /nfs/dbraw/zinc/37/12/62/981371262.db2.gz GLXALOCTWPVPEJ-QAPCUYQASA-N -1 0 337.847 3.937 20 0 EHADRM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ccoc2CC(=O)[O-])o1 ZINC000908835491 981372577 /nfs/dbraw/zinc/37/25/77/981372577.db2.gz PKRABCPESNBBPT-SWLSCSKDSA-N -1 0 345.395 3.676 20 0 EHADRM CCC[C@H](C(=O)N[C@@](C)(Cc1ccc(Cl)cc1)C(=O)[O-])C(C)C ZINC001595535408 981377311 /nfs/dbraw/zinc/37/73/11/981377311.db2.gz BVCAVYBDBRPQPD-YJBOKZPZSA-N -1 0 339.863 3.914 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)[C@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000908855123 981377903 /nfs/dbraw/zinc/37/79/03/981377903.db2.gz MSTVFWXXTKCRHU-OAHLLOKOSA-N -1 0 347.455 3.588 20 0 EHADRM CCC[C@H](C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-])c1ccccc1 ZINC001595535752 981377964 /nfs/dbraw/zinc/37/79/64/981377964.db2.gz GKLMIXZPEZEJNH-ROUUACIJSA-N -1 0 343.398 3.522 20 0 EHADRM CCC[C@@H](C(=O)OCc1cc(C(=O)[O-])ccc1C)c1ccccn1 ZINC001595538480 981392291 /nfs/dbraw/zinc/39/22/91/981392291.db2.gz MBTOLLMMCDSGLW-MRXNPFEDSA-N -1 0 327.380 3.715 20 0 EHADRM CSc1ccccc1CC(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000909068031 981410209 /nfs/dbraw/zinc/41/02/09/981410209.db2.gz IRKYEWVDDMDHMY-FZKQIMNGSA-N -1 0 343.448 3.529 20 0 EHADRM CC[C@@H](C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)[NH+](CC)CC ZINC000909118839 981420238 /nfs/dbraw/zinc/42/02/38/981420238.db2.gz FMPZAUNFPSEFKZ-ZDUSSCGKSA-N -1 0 334.441 3.658 20 0 EHADRM CCC/C(C)=C/C(=O)Oc1ccc(Br)cc1C(=O)[O-] ZINC001595565481 981455326 /nfs/dbraw/zinc/45/53/26/981455326.db2.gz GXDMEJOJUYPPJZ-VQHVLOKHSA-N -1 0 327.174 3.799 20 0 EHADRM CCC[C@@H](C)CC(=O)Nc1cc(Br)ccc1C(=O)[O-] ZINC001595570950 981476828 /nfs/dbraw/zinc/47/68/28/981476828.db2.gz MEFSROFPOJNANW-SECBINFHSA-N -1 0 328.206 3.912 20 0 EHADRM CCC[C@H](C)[C@H]1CCCN1C(=O)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC001595571911 981481653 /nfs/dbraw/zinc/48/16/53/981481653.db2.gz MFKQKGRRQWSTFG-SUMWQHHRSA-N -1 0 348.443 3.964 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)Nc1cccc(COc2ccccc2)c1C ZINC000909413259 981488200 /nfs/dbraw/zinc/48/82/00/981488200.db2.gz OOOQWFBNRJUEHQ-INIZCTEOSA-N -1 0 327.380 3.623 20 0 EHADRM CCC[C@H](CC(C)C)C(=O)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001595578707 981502173 /nfs/dbraw/zinc/50/21/73/981502173.db2.gz HPLHOCBAMBYVQG-CHWSQXEVSA-N -1 0 338.473 3.620 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)C1 ZINC000909490196 981507987 /nfs/dbraw/zinc/50/79/87/981507987.db2.gz INZCLHDSFBGEJM-WCXIOVBPSA-N -1 0 335.488 3.942 20 0 EHADRM Cc1ccc2cc(C(=O)N3CCC[C@@H](C(C)(C)C(=O)[O-])C3)ccc2n1 ZINC000909495781 981512017 /nfs/dbraw/zinc/51/20/17/981512017.db2.gz VGZFFFLHWVVFJP-MRXNPFEDSA-N -1 0 340.423 3.506 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CC1CC(OC(C)(C)C)C1 ZINC000909512828 981519898 /nfs/dbraw/zinc/51/98/98/981519898.db2.gz KFUMNKRFQMQSDY-UHFFFAOYSA-N -1 0 333.428 3.924 20 0 EHADRM CC(C)[C@@H](C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1)c1cccnc1 ZINC000909521834 981527429 /nfs/dbraw/zinc/52/74/29/981527429.db2.gz DAWKKIVFSABUFX-KBXCAEBGSA-N -1 0 340.423 3.723 20 0 EHADRM CCC[C@@H](CC(C)C)C(=O)Oc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001595586355 981532045 /nfs/dbraw/zinc/53/20/45/981532045.db2.gz XBRRTJGGKYXFQW-LBPRGKRZSA-N -1 0 336.384 3.539 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000909557141 981541636 /nfs/dbraw/zinc/54/16/36/981541636.db2.gz QJESATKTTFSIGL-SCDSUCTJSA-N -1 0 343.345 3.569 20 0 EHADRM CCC[C@@H](CCc1ccccc1)NC(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001595591592 981548199 /nfs/dbraw/zinc/54/81/99/981548199.db2.gz NWBFGVQWNRCVFI-FXAWDEMLSA-N -1 0 346.471 3.684 20 0 EHADRM CCC[C@H](CNC(=O)Nc1ccc(C(=O)[O-])c2ccccc12)OCC ZINC001595592938 981554168 /nfs/dbraw/zinc/55/41/68/981554168.db2.gz OFBCCAHLQMZLGP-CYBMUJFWSA-N -1 0 344.411 3.865 20 0 EHADRM COCc1cc(NC(=O)[C@H](C)c2ccccc2C)cc(C(=O)[O-])c1 ZINC000909627791 981555851 /nfs/dbraw/zinc/55/58/51/981555851.db2.gz WMQNQEZKTCCIJV-CYBMUJFWSA-N -1 0 327.380 3.582 20 0 EHADRM CCC[C@@H](NC(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001595599871 981575023 /nfs/dbraw/zinc/57/50/23/981575023.db2.gz GZOSOIHIRUCCGQ-GOSISDBHSA-N -1 0 340.423 3.768 20 0 EHADRM CCC[C@H](NC(=O)c1oc(C(=O)[O-])cc1C)c1ccc(F)cc1F ZINC001595600710 981582836 /nfs/dbraw/zinc/58/28/36/981582836.db2.gz NMZYKFYPVUYCRU-ZDUSSCGKSA-N -1 0 337.322 3.836 20 0 EHADRM CCC[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC001595600716 981582868 /nfs/dbraw/zinc/58/28/68/981582868.db2.gz NSNNTYXMAVRJHU-MRXNPFEDSA-N -1 0 333.334 3.934 20 0 EHADRM Cc1coc(C)c1C(=O)N[C@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC000909789175 981626550 /nfs/dbraw/zinc/62/65/50/981626550.db2.gz HYZGJXCFFQQOLW-DOTOQJQBSA-N -1 0 341.407 3.590 20 0 EHADRM Cc1coc(C)c1C(=O)N[C@@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC000909789187 981626586 /nfs/dbraw/zinc/62/65/86/981626586.db2.gz HYZGJXCFFQQOLW-WBVHZDCISA-N -1 0 341.407 3.590 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C1(Cc2cccs2)CCCCC1 ZINC000909802611 981632555 /nfs/dbraw/zinc/63/25/55/981632555.db2.gz CQJLTZYKPKCPPR-HIFRSBDPSA-N -1 0 335.469 3.563 20 0 EHADRM CC(C)[C@H](C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1)c1cccnc1 ZINC000909835174 981653167 /nfs/dbraw/zinc/65/31/67/981653167.db2.gz DYGUWXZRHJJXMR-GUYCJALGSA-N -1 0 326.396 3.648 20 0 EHADRM CC(C)[C@@H](C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1)c1cccnc1 ZINC000909835172 981653330 /nfs/dbraw/zinc/65/33/30/981653330.db2.gz DYGUWXZRHJJXMR-CXAGYDPISA-N -1 0 326.396 3.648 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC001594750137 981653620 /nfs/dbraw/zinc/65/36/20/981653620.db2.gz ZDVXCVAKSNVKPR-JKSUJKDBSA-N -1 0 349.789 3.796 20 0 EHADRM C[C@@H](C(=O)N1CCC[C@@](C)(C(=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC000909839597 981660249 /nfs/dbraw/zinc/66/02/49/981660249.db2.gz IKBNWRLIEXQZAJ-BDJLRTHQSA-N -1 0 343.345 3.522 20 0 EHADRM COc1cccc([C@@H](C)CCCC(=O)N2CCC[C@](C)(C(=O)[O-])C2)c1 ZINC000909841491 981662724 /nfs/dbraw/zinc/66/27/24/981662724.db2.gz IPCQSNPCEGCGAX-YWZLYKJASA-N -1 0 347.455 3.682 20 0 EHADRM COc1cccc([C@@H](C)CCCC(=O)N2CCC[C@@](C)(C(=O)[O-])C2)c1 ZINC000909841489 981662912 /nfs/dbraw/zinc/66/29/12/981662912.db2.gz IPCQSNPCEGCGAX-MGPUTAFESA-N -1 0 347.455 3.682 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)NCc1ccccc1-c1ccc(Cl)cc1 ZINC001594755404 981666311 /nfs/dbraw/zinc/66/63/11/981666311.db2.gz JBKXNUZKTZYVIJ-OAHLLOKOSA-N -1 0 331.799 3.734 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CCC(c2cccc(F)c2F)CC1 ZINC000909858330 981683685 /nfs/dbraw/zinc/68/36/85/981683685.db2.gz KZJCXZJJYFJSSS-UHFFFAOYSA-N -1 0 349.333 3.584 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)Nc1nc(-c2cccc(Cl)c2)c(C)s1 ZINC001594762158 981697215 /nfs/dbraw/zinc/69/72/15/981697215.db2.gz RKXYQNFSRWXAFY-NSHDSACASA-N -1 0 338.816 3.821 20 0 EHADRM CCC[C@@H]1CCC[C@H]1C(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001595621373 981699682 /nfs/dbraw/zinc/69/96/82/981699682.db2.gz HFVKKESDBZBXJQ-XYPHTWIQSA-N -1 0 343.423 3.761 20 0 EHADRM CCC[C@@H]1CCCC[C@H]1CNC(=O)NCCc1ccccc1C(=O)[O-] ZINC001595621562 981701141 /nfs/dbraw/zinc/70/11/41/981701141.db2.gz KWCKYUSTYDAMMP-WBVHZDCISA-N -1 0 346.471 3.833 20 0 EHADRM CCC[C@H]1CCCC[C@@H]1CNC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001595621525 981701147 /nfs/dbraw/zinc/70/11/47/981701147.db2.gz JXDOEJHYAHUCQZ-QWHCGFSZSA-N -1 0 338.473 3.852 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1ccc(C2CC2)nc1C)c1ccccc1 ZINC001594770719 981742079 /nfs/dbraw/zinc/74/20/79/981742079.db2.gz MXVYISPJGXVHPX-GOSISDBHSA-N -1 0 338.407 3.777 20 0 EHADRM CCC[C@H]1CN(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)CCO1 ZINC001595625038 981742077 /nfs/dbraw/zinc/74/20/77/981742077.db2.gz NJPVGBACJCFTKB-HNNXBMFYSA-N -1 0 342.395 3.571 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)CCCCc1ccccc1)C2 ZINC000910071863 981753568 /nfs/dbraw/zinc/75/35/68/981753568.db2.gz ZYAOCQPSYXTRLE-UHFFFAOYSA-N -1 0 337.419 3.683 20 0 EHADRM CC[C@H](C(=O)OCc1ccc(C(=O)[O-])c(F)c1)c1ccc(F)cc1 ZINC001594774778 981754120 /nfs/dbraw/zinc/75/41/20/981754120.db2.gz HTUBEOYFQJNOJM-AWEZNQCLSA-N -1 0 334.318 3.900 20 0 EHADRM CC[C@H](C(=O)O[C@@H](C(=O)[O-])c1ccccc1F)c1ccc(OC)cc1 ZINC001594775345 981758333 /nfs/dbraw/zinc/75/83/33/981758333.db2.gz NRMOWXZMCMUIER-WMLDXEAASA-N -1 0 346.354 3.697 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)C[C@H](C)c1ccccc1C ZINC001594781193 981786595 /nfs/dbraw/zinc/78/65/95/981786595.db2.gz JLZSBCRJWAENPA-YWZLYKJASA-N -1 0 331.456 3.981 20 0 EHADRM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000910250200 981824021 /nfs/dbraw/zinc/82/40/21/981824021.db2.gz CVUCUISOTBHKAD-DSSREEIYSA-N -1 0 341.451 3.501 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)N[C@@H]1CCc2ccc(Cl)cc21 ZINC000910254649 981831000 /nfs/dbraw/zinc/83/10/00/981831000.db2.gz KTRPZPPMBQSHOU-QGZVFWFLSA-N -1 0 343.810 3.775 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001594790689 981842082 /nfs/dbraw/zinc/84/20/82/981842082.db2.gz FKFUVSDLQLNAOM-FRQCXROJSA-N -1 0 349.858 3.935 20 0 EHADRM CCCC[C@H](CC)CNC(=S)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC001595632903 981861861 /nfs/dbraw/zinc/86/18/61/981861861.db2.gz VLRWMTUPIOJHSJ-VGWMRTNUSA-N -1 0 340.533 3.653 20 0 EHADRM CCCC[C@@H](NC(=O)[C@H](Oc1ccc(Cl)cc1)C(C)C)C(=O)[O-] ZINC001595634396 981888139 /nfs/dbraw/zinc/88/81/39/981888139.db2.gz NKSOUVOIKQILNE-HUUCEWRRSA-N -1 0 341.835 3.503 20 0 EHADRM CC(C)(CC(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21)CC(F)F ZINC000910361525 981891816 /nfs/dbraw/zinc/89/18/16/981891816.db2.gz ZEPVWIBROSEWEJ-LLVKDONJSA-N -1 0 325.355 3.663 20 0 EHADRM CCCC[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1OC)C1CCC1 ZINC001595635649 981906669 /nfs/dbraw/zinc/90/66/69/981906669.db2.gz DXMUOZFPPJUZSY-AWEZNQCLSA-N -1 0 334.416 3.874 20 0 EHADRM CCCC[C@@H](NC(=O)c1ccc(C)c(Oc2ccncc2)c1)C(=O)[O-] ZINC001595636729 981921501 /nfs/dbraw/zinc/92/15/01/981921501.db2.gz NDOKISUIBTVGMY-MRXNPFEDSA-N -1 0 342.395 3.556 20 0 EHADRM CCCC[C@H](NC(=O)c1ccccc1NC1CCCCC1)C(=O)[O-] ZINC001595636995 981925629 /nfs/dbraw/zinc/92/56/29/981925629.db2.gz ILXDUVCEOXCOGI-KRWDZBQOSA-N -1 0 332.444 3.804 20 0 EHADRM CCC(C)(C)CC(=O)N[C@@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001594809474 981927334 /nfs/dbraw/zinc/92/73/34/981927334.db2.gz UWVJPZUVNYGNQJ-KRWDZBQOSA-N -1 0 325.836 3.668 20 0 EHADRM CCCC[C@H](NC(=O)c1nc(-c2ccccc2)oc1C1CC1)C(=O)[O-] ZINC001595637361 981930404 /nfs/dbraw/zinc/93/04/04/981930404.db2.gz DXZOTZFIYGUULD-AWEZNQCLSA-N -1 0 342.395 3.592 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)c1cc2sc3ccccc3c2s1 ZINC000910444350 981934658 /nfs/dbraw/zinc/93/46/58/981934658.db2.gz DIBNRXGXPDQMDH-WPRPVWTQSA-N -1 0 349.408 3.753 20 0 EHADRM CCC(C)(C)c1ccc(CNC(=O)NC[C@H](CC(=O)[O-])C2CC2)cc1 ZINC001594814816 981941143 /nfs/dbraw/zinc/94/11/43/981941143.db2.gz XZILJBKRNVSIRJ-INIZCTEOSA-N -1 0 346.471 3.674 20 0 EHADRM CCC(C)(C)c1ccccc1C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001594815963 981947729 /nfs/dbraw/zinc/94/77/29/981947729.db2.gz XENOLIXKVZVFQF-XOBRGWDASA-N -1 0 329.440 3.701 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(Oc2ccc(C)cn2)cc1 ZINC001594821499 981971829 /nfs/dbraw/zinc/97/18/29/981971829.db2.gz DPASUBKTDQPOQT-IBGZPJMESA-N -1 0 342.395 3.556 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(C(F)(F)F)cc1Cl ZINC001594821767 981972812 /nfs/dbraw/zinc/97/28/12/981972812.db2.gz JKLYJPLIZPMQPY-CYBMUJFWSA-N -1 0 337.725 3.732 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC001594822124 981974022 /nfs/dbraw/zinc/97/40/22/981974022.db2.gz RKOMEEKQDUSZLO-LJQANCHMSA-N -1 0 345.370 3.991 20 0 EHADRM CCCC[C@@H](Nc1ccc(NC(=O)CC(F)(F)F)cc1)C(=O)[O-] ZINC001595644783 981981424 /nfs/dbraw/zinc/98/14/24/981981424.db2.gz CWKJCZRAYSRDMF-GFCCVEGCSA-N -1 0 332.322 3.633 20 0 EHADRM CCCC[C@@H](OC(=O)[C@H](C)Cc1cncc2ccccc21)C(=O)[O-] ZINC001595646783 982001764 /nfs/dbraw/zinc/00/17/64/982001764.db2.gz UTCDSIXBZIKZDB-CXAGYDPISA-N -1 0 329.396 3.600 20 0 EHADRM CCC(C)(CC)C(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC001594829435 982004673 /nfs/dbraw/zinc/00/46/73/982004673.db2.gz GCTSTIRSSWWRST-UHFFFAOYSA-N -1 0 346.452 3.951 20 0 EHADRM CC(C)(C)c1csc(NC(=O)c2ccccc2CCC(=O)[O-])n1 ZINC000910631574 982035147 /nfs/dbraw/zinc/03/51/47/982035147.db2.gz ZWGZDORYQFPGLB-UHFFFAOYSA-N -1 0 332.425 3.710 20 0 EHADRM CCc1ccc(C(C)(C)C(=O)Nc2nc(CCC(=O)[O-])cs2)cc1 ZINC000910645080 982037677 /nfs/dbraw/zinc/03/76/77/982037677.db2.gz ASOUDLFWGDCMIC-UHFFFAOYSA-N -1 0 346.452 3.639 20 0 EHADRM Cc1cn(C2CCCCC2)nc1NC(=O)c1cccc(CC(=O)[O-])c1 ZINC000910647559 982040071 /nfs/dbraw/zinc/04/00/71/982040071.db2.gz FXIQPRHXYPWQDO-UHFFFAOYSA-N -1 0 341.411 3.576 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)c1C1CC1 ZINC000910649259 982040745 /nfs/dbraw/zinc/04/07/45/982040745.db2.gz UNGYOMQCNAUAEJ-LBPRGKRZSA-N -1 0 341.411 3.990 20 0 EHADRM CC(C)Cn1ncc(NC(=O)/C=C\c2cc(C(=O)[O-])co2)c1C(C)C ZINC000910650145 982041628 /nfs/dbraw/zinc/04/16/28/982041628.db2.gz STRSRUWDOHKCRN-WAYWQWQTSA-N -1 0 345.399 3.606 20 0 EHADRM COc1ccc(CCC(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)cc1 ZINC000910697341 982068102 /nfs/dbraw/zinc/06/81/02/982068102.db2.gz SFQVPZFJIVOMFV-UHFFFAOYSA-N -1 0 348.424 3.545 20 0 EHADRM CC(C)c1sc(NC(=O)C2(c3ccccc3F)CC2)nc1C(=O)[O-] ZINC000910698804 982069522 /nfs/dbraw/zinc/06/95/22/982069522.db2.gz IBSKKWATBFBVCD-UHFFFAOYSA-N -1 0 348.399 3.774 20 0 EHADRM Cc1cc(F)c(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)c(F)c1 ZINC000910705532 982074695 /nfs/dbraw/zinc/07/46/95/982074695.db2.gz IPZHWMAXXUENRL-UHFFFAOYSA-N -1 0 340.351 3.804 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)c2ccc(F)cc2C)nc1C(=O)[O-] ZINC000910726056 982089351 /nfs/dbraw/zinc/08/93/51/982089351.db2.gz BXVJOSXSMJSBCC-CYBMUJFWSA-N -1 0 348.399 3.575 20 0 EHADRM C[C@@H](C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)c1ccccc1F ZINC000910734829 982097691 /nfs/dbraw/zinc/09/76/91/982097691.db2.gz YEKPTSXODABTCM-MRVPVSSYSA-N -1 0 334.372 3.600 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910735234 982098055 /nfs/dbraw/zinc/09/80/55/982098055.db2.gz YYVWYAPNXCMWHQ-UHFFFAOYSA-N -1 0 344.436 3.926 20 0 EHADRM O=C([O-])c1nc(NC(=O)CCCc2ccccc2)sc1C1CC1 ZINC000910736693 982099011 /nfs/dbraw/zinc/09/90/11/982099011.db2.gz NREFYPIBCXFUJB-UHFFFAOYSA-N -1 0 330.409 3.680 20 0 EHADRM CCCCC[C@@H](C)CC(=O)Nc1c2cccnc2n(C)c1C(=O)[O-] ZINC001595666831 982107485 /nfs/dbraw/zinc/10/74/85/982107485.db2.gz UEAIUSCFNTZZSJ-GFCCVEGCSA-N -1 0 331.416 3.817 20 0 EHADRM CCCCC[C@@H](CC)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)[O-] ZINC001595669489 982114260 /nfs/dbraw/zinc/11/42/60/982114260.db2.gz IMAZLUVYSVIMEH-GFCCVEGCSA-N -1 0 335.400 3.716 20 0 EHADRM CCCCC[C@@H](CC)C(=O)Nc1c(C(=O)[O-])nnn1-c1ccccc1 ZINC001595670355 982118112 /nfs/dbraw/zinc/11/81/12/982118112.db2.gz PJWLCSBWPONZJY-CYBMUJFWSA-N -1 0 344.415 3.511 20 0 EHADRM CCCCC[C@H](NC(=O)C[C@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)[O-] ZINC001595671858 982126705 /nfs/dbraw/zinc/12/67/05/982126705.db2.gz GXGPYBPLPUGIBE-XQQFMLRXSA-N -1 0 337.382 3.895 20 0 EHADRM CCCCC[C@@H](NC(=O)NC[C@@H](CC(=O)[O-])C1CC1)C(C)(C)C ZINC001595671991 982128752 /nfs/dbraw/zinc/12/87/52/982128752.db2.gz ARIUWMZDJKIMBA-HUUCEWRRSA-N -1 0 326.481 3.782 20 0 EHADRM CCCCOc1ccc(C(=O)NC2CC(CC(=O)[O-])C2)c(Cl)c1 ZINC000910809052 982130219 /nfs/dbraw/zinc/13/02/19/982130219.db2.gz GJRVXTWAOKOQEL-UHFFFAOYSA-N -1 0 339.819 3.502 20 0 EHADRM CC/C(C)=C(/C)C(=O)N[C@@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC001594861778 982150189 /nfs/dbraw/zinc/15/01/89/982150189.db2.gz MDLYMAZKTPNUTR-ASCRHOAZSA-N -1 0 345.317 3.574 20 0 EHADRM CSc1ccc(NC(=O)C[C@H](C)c2c(C)noc2C)cc1C(=O)[O-] ZINC000910946336 982171605 /nfs/dbraw/zinc/17/16/05/982171605.db2.gz LUNKSBROSBBSFQ-VIFPVBQESA-N -1 0 348.424 3.844 20 0 EHADRM CCCc1nc(C)c(C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)o1 ZINC000910948139 982172629 /nfs/dbraw/zinc/17/26/29/982172629.db2.gz VCYFEDBPMLOWAT-UHFFFAOYSA-N -1 0 334.397 3.608 20 0 EHADRM C[C@@H](C(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1)C1CC1 ZINC000910952752 982175424 /nfs/dbraw/zinc/17/54/24/982175424.db2.gz XPLHAHMCSRXMBH-GFCCVEGCSA-N -1 0 340.423 3.618 20 0 EHADRM CC[C@@H](C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)c1ccccc1 ZINC001594867094 982178801 /nfs/dbraw/zinc/17/88/01/982178801.db2.gz WAMZBWJUSJNGPZ-FKKBTLCVSA-N -1 0 329.440 3.530 20 0 EHADRM O=C([O-])c1cnc([C@@H]2CCN(C(=O)CCC3CCCCC3)C2)s1 ZINC000911038753 982204579 /nfs/dbraw/zinc/20/45/79/982204579.db2.gz NCBLCEWMBFQYFI-CYBMUJFWSA-N -1 0 336.457 3.518 20 0 EHADRM CC1(CC(=O)N2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)CCCCC1 ZINC000911046419 982211671 /nfs/dbraw/zinc/21/16/71/982211671.db2.gz IDCYDPHOJRWBPW-GFCCVEGCSA-N -1 0 336.457 3.518 20 0 EHADRM CC[C@@H](C)[C@@H](C)C(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001594881010 982233014 /nfs/dbraw/zinc/23/30/14/982233014.db2.gz KOPNQEMVHQFBSK-RKDXNWHRSA-N -1 0 328.206 3.768 20 0 EHADRM CCCCCC[C@H](CC)C(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001595698623 982252739 /nfs/dbraw/zinc/25/27/39/982252739.db2.gz SISLHYDWDIANEG-KBPBESRZSA-N -1 0 335.448 3.529 20 0 EHADRM CCCCCC[C@H](O)CCC(=O)Nc1cc(C(=O)[O-])sc1C ZINC001595702308 982263388 /nfs/dbraw/zinc/26/33/88/982263388.db2.gz GMHAIHFOPBZXCD-LBPRGKRZSA-N -1 0 327.446 3.805 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)CCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC001594887170 982269185 /nfs/dbraw/zinc/26/91/85/982269185.db2.gz JNZUPMFBKONELD-LKFCYVNXSA-N -1 0 332.227 3.542 20 0 EHADRM CCCCCCO[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC001595710137 982293276 /nfs/dbraw/zinc/29/32/76/982293276.db2.gz DNPXHZUQSPQCIF-NSHDSACASA-N -1 0 327.808 3.962 20 0 EHADRM CCCCCCOc1ccc(-c2nnc(C3(C(=O)[O-])CC3)o2)cc1 ZINC001595710373 982294344 /nfs/dbraw/zinc/29/43/44/982294344.db2.gz FSINOUFQWMKOLF-UHFFFAOYSA-N -1 0 330.384 3.812 20 0 EHADRM CCCCCCOCC(=O)N1CCCc2c(C)ccc(C(=O)[O-])c21 ZINC001595710646 982295386 /nfs/dbraw/zinc/29/53/86/982295386.db2.gz JQQVWJGSPYOWPO-UHFFFAOYSA-N -1 0 333.428 3.569 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N2CCCCC[C@@H]2c2ccncc2)o1 ZINC000911235025 982305798 /nfs/dbraw/zinc/30/57/98/982305798.db2.gz VDKQGBLKILHAKT-QKIRZYONSA-N -1 0 340.379 3.530 20 0 EHADRM CCCCCCOc1ccc(CC(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)cc1 ZINC001595715435 982313483 /nfs/dbraw/zinc/31/34/83/982313483.db2.gz UNTBUVXWMNDOFU-CALCHBBNSA-N -1 0 347.455 3.510 20 0 EHADRM CCCCCOc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C)cc1 ZINC001595720492 982331771 /nfs/dbraw/zinc/33/17/71/982331771.db2.gz DMGBISDZTWKYGU-GDBMZVCRSA-N -1 0 333.428 3.581 20 0 EHADRM CC[C@@H](C)CC(=O)N(Cc1ccoc1C(=O)[O-])[C@H](C)c1ccccn1 ZINC000911327415 982351969 /nfs/dbraw/zinc/35/19/69/982351969.db2.gz FKMZZTHDKYTOIH-ZIAGYGMSSA-N -1 0 344.411 3.899 20 0 EHADRM CCCCN(C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1)C1CC1 ZINC001595731689 982363191 /nfs/dbraw/zinc/36/31/91/982363191.db2.gz FBQULGPZTSWOSG-UHFFFAOYSA-N -1 0 345.443 3.781 20 0 EHADRM CCCCN(C(=O)Cn1cc(C(=O)[O-])c2ccccc21)[C@H](C)CC ZINC001595732313 982368064 /nfs/dbraw/zinc/36/80/64/982368064.db2.gz UCNWTDMTXKESTE-CQSZACIVSA-N -1 0 330.428 3.767 20 0 EHADRM O=C([O-])c1cc(NC(=O)C2([C@H]3CCCCO3)CCC2)cc2[nH]ccc21 ZINC000911387331 982412224 /nfs/dbraw/zinc/41/22/24/982412224.db2.gz QEPVDXVHMVTNDF-MRXNPFEDSA-N -1 0 342.395 3.544 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCO3)cc1 ZINC000026543485 1014839246 /nfs/dbraw/zinc/83/92/46/1014839246.db2.gz PHLADOVDCJDFQN-CYBMUJFWSA-N -1 0 331.437 3.936 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1sc(C2CCCCC2)nc1C)C(=O)[O-] ZINC001594913675 982431241 /nfs/dbraw/zinc/43/12/41/982431241.db2.gz YUKOMOGAGIVYJY-GWCFXTLKSA-N -1 0 338.473 3.728 20 0 EHADRM Cc1ccc(-c2cccnc2)cc1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000911512267 982466845 /nfs/dbraw/zinc/46/68/45/982466845.db2.gz OJKPXQXWYULMIM-HOTGVXAUSA-N -1 0 338.407 3.887 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2F)oc1C(=O)[O-] ZINC000911547820 982492119 /nfs/dbraw/zinc/49/21/19/982492119.db2.gz ZXKIXPGBQDYBCU-CYBMUJFWSA-N -1 0 335.306 3.542 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccccc1CN(C)c1ccccc1 ZINC000911550935 982492682 /nfs/dbraw/zinc/49/26/82/982492682.db2.gz IKMBOYFUDNMOAF-HNNXBMFYSA-N -1 0 340.423 3.762 20 0 EHADRM CC[C@H](C)[C@H](Sc1n[nH]c(-c2ccc3c(c2)CCC3)n1)C(=O)[O-] ZINC001594927931 982529386 /nfs/dbraw/zinc/52/93/86/982529386.db2.gz AAVBODSZZJAJRY-HZMBPMFUSA-N -1 0 331.441 3.552 20 0 EHADRM CCCCOc1ccc(NC(=O)N[C@](C)(CC(=O)[O-])C2CC2)c(C)c1 ZINC001595775823 982541903 /nfs/dbraw/zinc/54/19/03/982541903.db2.gz YUVDCHUZNHUSCK-LJQANCHMSA-N -1 0 348.443 3.939 20 0 EHADRM CCCCOc1ccc(NC(=O)c2cc(C(=O)[O-])ccc2Cl)cn1 ZINC001595780592 982550706 /nfs/dbraw/zinc/55/07/06/982550706.db2.gz HPKSAGWKANQCEN-UHFFFAOYSA-N -1 0 348.786 3.864 20 0 EHADRM CCCCS[C@@H](C)C(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC001595785914 982573381 /nfs/dbraw/zinc/57/33/81/982573381.db2.gz MGKQPQGACPTOHB-LBPRGKRZSA-N -1 0 343.876 3.675 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)NCc2ccc(C(=O)[O-])cn2)cc1 ZINC000911732268 982615890 /nfs/dbraw/zinc/61/58/90/982615890.db2.gz RPIIAYFISVYZKC-ARJAWSKDSA-N -1 0 338.407 3.623 20 0 EHADRM COc1cc(C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)ccc1C ZINC000911738257 982620487 /nfs/dbraw/zinc/62/04/87/982620487.db2.gz AIXNXEKIOJUOGT-UHFFFAOYSA-N -1 0 343.379 3.741 20 0 EHADRM C[C@@H]1CCN(C(=O)Cn2cc(C(=O)[O-])c3ccccc32)c2ccccc21 ZINC000915285620 982666718 /nfs/dbraw/zinc/66/67/18/982666718.db2.gz MKPZBMMNFHCYBS-CQSZACIVSA-N -1 0 348.402 3.880 20 0 EHADRM CCCN(C(=O)CCCOc1cccc2ccccc21)[C@@H](C)C(=O)[O-] ZINC001595815779 982667697 /nfs/dbraw/zinc/66/76/97/982667697.db2.gz DADSPSPDIOKDDA-HNNXBMFYSA-N -1 0 343.423 3.711 20 0 EHADRM CCCN(C(=O)/C=C/c1ccc2cc(OC)ccc2c1)[C@@H](C)C(=O)[O-] ZINC001595817522 982681361 /nfs/dbraw/zinc/68/13/61/982681361.db2.gz UIBWSCMJSYVKDH-XYYIANASSA-N -1 0 341.407 3.573 20 0 EHADRM O=C([O-])[C@]1(CC(=O)Nc2ccc(-c3ccccc3)cc2)CCSC1 ZINC000064610302 1014868689 /nfs/dbraw/zinc/86/86/89/1014868689.db2.gz WCGDTJKKKKARCL-IBGZPJMESA-N -1 0 341.432 3.890 20 0 EHADRM CCCN(C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1)[C@@H](C)C(=O)[O-] ZINC001595828052 982714531 /nfs/dbraw/zinc/71/45/31/982714531.db2.gz YXZMGNOSDXXSLU-LBPRGKRZSA-N -1 0 330.428 3.791 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC001594968727 982735249 /nfs/dbraw/zinc/73/52/49/982735249.db2.gz RSICOPOEXQMNGL-GHMZBOCLSA-N -1 0 331.334 3.521 20 0 EHADRM CCCN(C)c1ccc(C(=O)OCc2cc(C(=O)[O-])ccc2C)cc1 ZINC001595839211 982750911 /nfs/dbraw/zinc/75/09/11/982750911.db2.gz BUSMDJCURAIBQP-UHFFFAOYSA-N -1 0 341.407 3.896 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000923154351 982769193 /nfs/dbraw/zinc/76/91/93/982769193.db2.gz PBEQQXZBWZLCFY-OYYCAODRSA-N -1 0 337.419 3.655 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000923154298 982769201 /nfs/dbraw/zinc/76/92/01/982769201.db2.gz NLFMJMAQRKQEHP-CODKJTEISA-N -1 0 337.419 3.655 20 0 EHADRM O=C([O-])CCC1(NC(=O)c2cccc(-c3cnco3)c2)CCCCC1 ZINC000923216012 982846684 /nfs/dbraw/zinc/84/66/84/982846684.db2.gz SMUGAYLKFWXFEZ-UHFFFAOYSA-N -1 0 342.395 3.639 20 0 EHADRM CC[C@@H](C)NC(=O)c1ccc(NCc2csc(C(=O)[O-])c2)cc1 ZINC001594991474 982855864 /nfs/dbraw/zinc/85/58/64/982855864.db2.gz IUQHYRLIONJYEB-LLVKDONJSA-N -1 0 332.425 3.587 20 0 EHADRM CC[C@@H](C)Oc1cc(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])ccn1 ZINC001594996341 982900707 /nfs/dbraw/zinc/90/07/07/982900707.db2.gz KDHBIPOBESGZNG-SNVBAGLBSA-N -1 0 348.786 3.863 20 0 EHADRM CC[C@H](C)Oc1cc(C)ccc1CNCc1ncc(C(=O)[O-])s1 ZINC001594996720 982901644 /nfs/dbraw/zinc/90/16/44/982901644.db2.gz ODYTVFQFLFVDPW-LBPRGKRZSA-N -1 0 334.441 3.617 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)COc1cccc(Cl)c1C ZINC001116326228 982928948 /nfs/dbraw/zinc/92/89/48/982928948.db2.gz XWCXJKOHUXVWCU-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM CC[C@H](C)c1ccc(C(=O)Nc2nc(COC)c(C(=O)[O-])s2)cc1 ZINC001595009170 982932498 /nfs/dbraw/zinc/93/24/98/982932498.db2.gz FZFOZEMUOOMFHF-JTQLQIEISA-N -1 0 348.424 3.754 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(C)cc(Cl)c2)cc1 ZINC001116786245 982934750 /nfs/dbraw/zinc/93/47/50/982934750.db2.gz QHAOIJKIZOHNGQ-INIZCTEOSA-N -1 0 331.799 3.903 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)N[C@H](CC(=O)[O-])C1CCCC1 ZINC001595013579 982948497 /nfs/dbraw/zinc/94/84/97/982948497.db2.gz JWZWDMZPZWTKEV-RHSMWYFYSA-N -1 0 347.455 3.729 20 0 EHADRM Cc1c(NC(=O)C[C@@H]2C=CCC2)cc(Br)cc1C(=O)[O-] ZINC001119581287 982991810 /nfs/dbraw/zinc/99/18/10/982991810.db2.gz BPDDEZBXJANESE-SNVBAGLBSA-N -1 0 338.201 3.751 20 0 EHADRM CCCNc1nnc(S[C@@H](C(=O)[O-])c2ccccc2Cl)s1 ZINC001595936981 983081644 /nfs/dbraw/zinc/08/16/44/983081644.db2.gz STMXZIDSXVRNKS-SNVBAGLBSA-N -1 0 343.861 3.931 20 0 EHADRM CCCOc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)[O-])c1N ZINC001595961371 983159545 /nfs/dbraw/zinc/15/95/45/983159545.db2.gz JFJJIHAEAYTNQK-UHFFFAOYSA-N -1 0 348.786 3.662 20 0 EHADRM C[C@@H](O)C[C@@H]1CCCCCN1C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000655072483 1014924620 /nfs/dbraw/zinc/92/46/20/1014924620.db2.gz NOPJURMJIBKLFU-NEPJUHHUSA-N -1 0 345.361 3.567 20 0 EHADRM CCC[C@@H](NC(=O)c1ccc(O[C@@H](C)c2ccccc2)cc1)C(=O)[O-] ZINC001595998089 983254356 /nfs/dbraw/zinc/25/43/56/983254356.db2.gz DTMTXSANWJCZLN-KBXCAEBGSA-N -1 0 341.407 3.810 20 0 EHADRM CCCc1c(C(=O)N2CC([C@@H]3CCC[C@@H](C)C3)C2)[nH]c(C)c1C(=O)[O-] ZINC001596031399 983303272 /nfs/dbraw/zinc/30/32/72/983303272.db2.gz YCVAIECQJZQGHO-TZMCWYRMSA-N -1 0 346.471 3.872 20 0 EHADRM CCCc1c(C(=O)NC[C@H]2CCC[C@@H]2C2CC2)[nH]c(C)c1C(=O)[O-] ZINC001596037076 983317356 /nfs/dbraw/zinc/31/73/56/983317356.db2.gz ANXVMSJQTFWWPK-ZIAGYGMSSA-N -1 0 332.444 3.530 20 0 EHADRM CCCc1c(C(=O)NC[C@@H]2CCC[C@H](C)[C@@H]2C)[nH]c(C)c1C(=O)[O-] ZINC001596037199 983317860 /nfs/dbraw/zinc/31/78/60/983317860.db2.gz GSLFKDZUEMRKEF-OBJOEFQTSA-N -1 0 334.460 3.776 20 0 EHADRM CCCc1c(C(=O)NCc2cccc(Cl)c2)[nH]c(C)c1C(=O)[O-] ZINC001596041705 983326733 /nfs/dbraw/zinc/32/67/33/983326733.db2.gz CIIAPRLVLIMBNF-UHFFFAOYSA-N -1 0 334.803 3.557 20 0 EHADRM CCCc1c(C(=O)OC2CCC(CC(=O)[O-])CC2)[nH]c(C)c1C(C)=O ZINC001596047531 983342726 /nfs/dbraw/zinc/34/27/26/983342726.db2.gz ZFUDQQRQTSNRPM-UHFFFAOYSA-N -1 0 349.427 3.669 20 0 EHADRM CCCc1cc(C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)ccc1Cl ZINC001596056749 983360766 /nfs/dbraw/zinc/36/07/66/983360766.db2.gz CZKPAFXTXULKAK-UHFFFAOYSA-N -1 0 349.818 3.561 20 0 EHADRM CCCc1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)s1 ZINC001596062548 983371521 /nfs/dbraw/zinc/37/15/21/983371521.db2.gz FQFVGFKZRHLITE-UHFFFAOYSA-N -1 0 325.336 3.929 20 0 EHADRM CCCc1ccc([C@H](NC(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)C(C)C)cc1 ZINC001596062642 983371967 /nfs/dbraw/zinc/37/19/67/983371967.db2.gz INIHNQVATNWIKP-ZTFGCOKTSA-N -1 0 346.471 3.698 20 0 EHADRM CCCc1nc(CN[C@](C)(CC(=O)[O-])c2cccc(F)c2)cs1 ZINC001596090053 983414666 /nfs/dbraw/zinc/41/46/66/983414666.db2.gz RQGIWSUROPVOMY-QGZVFWFLSA-N -1 0 336.432 3.714 20 0 EHADRM CCCc1nsc(Nc2cccc(CSCCC(=O)[O-])c2)n1 ZINC001596102730 983428391 /nfs/dbraw/zinc/42/83/91/983428391.db2.gz ROGLZXFYVPSPGL-UHFFFAOYSA-N -1 0 337.470 3.942 20 0 EHADRM CCCn1c(C(=O)N(CC(=O)[O-])c2ccccc2)cc2ccccc21 ZINC001596107321 983431817 /nfs/dbraw/zinc/43/18/17/983431817.db2.gz FKKPUIWQLZNJFZ-UHFFFAOYSA-N -1 0 336.391 3.783 20 0 EHADRM CCCn1c2ccc(Cl)cc2nc1SCCCC(=O)C(=O)[O-] ZINC001596111584 983439859 /nfs/dbraw/zinc/43/98/59/983439859.db2.gz ZEPHPRSMMOJSQH-UHFFFAOYSA-N -1 0 340.832 3.626 20 0 EHADRM CCCn1ccc2cc(NC(=O)c3oc(C(=O)[O-])cc3C)ccc21 ZINC001596115991 983446405 /nfs/dbraw/zinc/44/64/05/983446405.db2.gz NXIZGSINRNSKEW-UHFFFAOYSA-N -1 0 326.352 3.903 20 0 EHADRM CCCn1ncc(C(=O)OCc2cc(C(=O)[O-])ccc2C)c1C1CC1 ZINC001596120725 983455897 /nfs/dbraw/zinc/45/58/97/983455897.db2.gz WRJWEHGYKUBPDP-UHFFFAOYSA-N -1 0 342.395 3.534 20 0 EHADRM CCN(C(=O)[C@H](C)c1ccc(F)c(F)c1)c1ccccc1C(=O)[O-] ZINC001596130662 983476190 /nfs/dbraw/zinc/47/61/90/983476190.db2.gz ABHOQGFGZRFEAH-LLVKDONJSA-N -1 0 333.334 3.820 20 0 EHADRM CCN(C(=O)C[C@]12CCCC[C@H]1C2(F)F)c1ccccc1C(=O)[O-] ZINC001596134304 983483679 /nfs/dbraw/zinc/48/36/79/983483679.db2.gz VYOINLOBSMUNOF-RHSMWYFYSA-N -1 0 337.366 3.953 20 0 EHADRM CCN(C(=O)[C@H]1C[C@H]1c1cccc2ccccc21)C(C)(C)C(=O)[O-] ZINC001596138885 983489941 /nfs/dbraw/zinc/48/99/41/983489941.db2.gz XZKWIQBSTYFBKB-IRXDYDNUSA-N -1 0 325.408 3.655 20 0 EHADRM CCN(C(=O)COc1ccc(C(=O)[O-])cc1)[C@@H](C)c1ccc(F)cc1 ZINC001596145597 983501440 /nfs/dbraw/zinc/50/14/40/983501440.db2.gz NMHMWFFPEYJUSK-ZDUSSCGKSA-N -1 0 345.370 3.512 20 0 EHADRM CCN(C(=O)COc1cccc(C(=O)[O-])c1)[C@H](C)c1ccc(F)cc1 ZINC001596145881 983502300 /nfs/dbraw/zinc/50/23/00/983502300.db2.gz ZKYFQWLJIIZJAV-CYBMUJFWSA-N -1 0 345.370 3.512 20 0 EHADRM CCN(C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C)C1CCCCC1 ZINC001596150082 983509261 /nfs/dbraw/zinc/50/92/61/983509261.db2.gz BIUWMHWHCFTCBK-UHFFFAOYSA-N -1 0 333.432 3.637 20 0 EHADRM CCN(C(=O)Nc1cc(C(=O)[O-])sc1C)c1ccc(OC)cc1 ZINC001596150531 983510370 /nfs/dbraw/zinc/51/03/70/983510370.db2.gz KEXRGGZYEGFUMZ-UHFFFAOYSA-N -1 0 334.397 3.822 20 0 EHADRM CCN(C(=O)Nc1cc(C(=O)[O-])ccc1F)c1cccc(OC)c1 ZINC001596150818 983511379 /nfs/dbraw/zinc/51/13/79/983511379.db2.gz PVVFWKZICFABER-UHFFFAOYSA-N -1 0 332.331 3.591 20 0 EHADRM CCN(C(=O)c1cc2c(ccnc2Cl)o1)c1ccccc1C(=O)[O-] ZINC001596165250 983529138 /nfs/dbraw/zinc/52/91/38/983529138.db2.gz MUSABNFAQYHDSN-UHFFFAOYSA-N -1 0 344.754 3.846 20 0 EHADRM CCN(C(=O)c1csc(-c2ccco2)n1)c1ccccc1C(=O)[O-] ZINC001596173357 983539601 /nfs/dbraw/zinc/53/96/01/983539601.db2.gz WYIPQISKRMTNKG-UHFFFAOYSA-N -1 0 342.376 3.768 20 0 EHADRM CCN(C(=O)c1sccc1C(F)F)c1ncc(C(=O)[O-])s1 ZINC001596174862 983541576 /nfs/dbraw/zinc/54/15/76/983541576.db2.gz MYSUEJIBQXCREJ-UHFFFAOYSA-N -1 0 332.353 3.507 20 0 EHADRM CCN(C(=O)c1oc2ccc(F)cc2c1C)c1ncc(C(=O)[O-])s1 ZINC001596175261 983542794 /nfs/dbraw/zinc/54/27/94/983542794.db2.gz WWNPSVRCPFTWKK-UHFFFAOYSA-N -1 0 348.355 3.702 20 0 EHADRM CCN(C(=O)c1sc(-c2ccccc2C)nc1C)C(C)(C)C(=O)[O-] ZINC001596175136 983542840 /nfs/dbraw/zinc/54/28/40/983542840.db2.gz VOSKQOCPNNFHRN-UHFFFAOYSA-N -1 0 346.452 3.752 20 0 EHADRM COCC1(CSc2n[n-]c(=Nc3cccc(F)c3)s2)CCC1 ZINC000460856111 1032106454 /nfs/dbraw/zinc/10/64/54/1032106454.db2.gz FDTDJDAONRBYIF-UHFFFAOYSA-N -1 0 339.461 3.752 20 0 EHADRM CCN(Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001596354550 983820216 /nfs/dbraw/zinc/82/02/16/983820216.db2.gz XCALLLRKRBMBQJ-UHFFFAOYSA-N -1 0 337.379 3.920 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001596364776 983853252 /nfs/dbraw/zinc/85/32/52/983853252.db2.gz DXKIWSSBIRCGBR-UHFFFAOYSA-N -1 0 341.791 3.901 20 0 EHADRM CCN(Cc1nc2cc(C(=O)[O-])ccc2[nH]1)[C@@H](C)c1cccc(O)c1 ZINC001596378654 983898404 /nfs/dbraw/zinc/89/84/04/983898404.db2.gz YVPAVUJTGMTVNU-LBPRGKRZSA-N -1 0 339.395 3.550 20 0 EHADRM CCN(c1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccs2)cc1)C(C)C ZINC001596383187 983907741 /nfs/dbraw/zinc/90/77/41/983907741.db2.gz WMPHURBUFBKOOH-MRXNPFEDSA-N -1 0 346.452 3.539 20 0 EHADRM CCNC(=O)Nc1ccc(C)c(N[C@@H](C)CC(C)(C)CC(=O)[O-])c1 ZINC001596473088 984197400 /nfs/dbraw/zinc/19/74/00/984197400.db2.gz CCYBWYSEOUDMNA-ZDUSSCGKSA-N -1 0 335.448 3.828 20 0 EHADRM CCNc1nc(SCc2occc2C(=O)[O-])nc2ccccc21 ZINC001596504515 984259149 /nfs/dbraw/zinc/25/91/49/984259149.db2.gz BVJLQDYNDCHVNR-UHFFFAOYSA-N -1 0 329.381 3.645 20 0 EHADRM CCNc1ncc(C(=O)Nc2ccc(C(=O)[O-])cc2CC)cc1Cl ZINC001596507233 984264992 /nfs/dbraw/zinc/26/49/92/984264992.db2.gz DMJJFQROPOZJTF-UHFFFAOYSA-N -1 0 347.802 3.680 20 0 EHADRM CCOC(=O)C1CCC(Nc2cc(C(=O)[O-])ccc2OC(C)C)CC1 ZINC001596569829 984460976 /nfs/dbraw/zinc/46/09/76/984460976.db2.gz HASAGXQAEQZSSC-UHFFFAOYSA-N -1 0 349.427 3.706 20 0 EHADRM CCOC(=O)CC(C)(C)CCN1CCCc2c(C(=O)[O-])ccc(C)c21 ZINC001596587469 984521316 /nfs/dbraw/zinc/52/13/16/984521316.db2.gz FHFRGVBROKDLNN-UHFFFAOYSA-N -1 0 347.455 3.815 20 0 EHADRM C/C(=C(\F)C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1)C1CC1 ZINC001588933254 984611659 /nfs/dbraw/zinc/61/16/59/984611659.db2.gz QSYOBLVMPBLJSD-GULXKOIASA-N -1 0 325.767 3.626 20 0 EHADRM C/C(=C\C(=O)N1CCc2cccc(C(=O)[O-])c2C1)c1ccccc1C ZINC001588938435 984621887 /nfs/dbraw/zinc/62/18/87/984621887.db2.gz BNVJCMBTIIHDDX-NTCAYCPXSA-N -1 0 335.403 3.681 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)C1CCC(C2CC2)CC1 ZINC001599886429 984641872 /nfs/dbraw/zinc/64/18/72/984641872.db2.gz BGINRHKAGFZKAX-RWBZWWBESA-N -1 0 329.440 3.705 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1N(C)C)C1CCCCCC1 ZINC001599894875 984740746 /nfs/dbraw/zinc/74/07/46/984740746.db2.gz IPNHAZFZCMNQRL-ZDUSSCGKSA-N -1 0 347.459 3.931 20 0 EHADRM C[C@H](OC(=O)CCc1ccccc1C(=O)[O-])c1ccc(Cl)cn1 ZINC001599903835 984895272 /nfs/dbraw/zinc/89/52/72/984895272.db2.gz LWNIZVFFCBCMAN-NSHDSACASA-N -1 0 333.771 3.670 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)N1C[C@H](C(=O)[O-])Cc2ccccc21 ZINC001588995472 984924388 /nfs/dbraw/zinc/92/43/88/984924388.db2.gz KUQAROWKJOBLKL-VHUCWBOISA-N -1 0 335.403 3.688 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001588999626 984939272 /nfs/dbraw/zinc/93/92/72/984939272.db2.gz YERBHUCIRCHBTJ-DHZHZOJOSA-N -1 0 331.318 3.634 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)c2ccc(-c3ccco3)s2)(C(=O)[O-])CC1 ZINC001599907589 984943174 /nfs/dbraw/zinc/94/31/74/984943174.db2.gz YTCKXENJYPABIU-QQVUYCAZSA-N -1 0 333.409 3.771 20 0 EHADRM C/C(=C/c1ccccc1Cl)C(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1 ZINC001589003492 984953229 /nfs/dbraw/zinc/95/32/29/984953229.db2.gz BMUIRPWVVZXPLP-IKADHZPJSA-N -1 0 335.831 3.893 20 0 EHADRM CC(=O)CCCCCCC(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC001589035493 985085363 /nfs/dbraw/zinc/08/53/63/985085363.db2.gz TZHAZVFALKNZNI-ROUUACIJSA-N -1 0 345.439 3.733 20 0 EHADRM CC(=O)N(c1ccc(N[C@@H](C(=O)[O-])c2ccsc2)cc1)C1CC1 ZINC001589051759 985141574 /nfs/dbraw/zinc/14/15/74/985141574.db2.gz NGGQFDWOSFQGSP-MRXNPFEDSA-N -1 0 330.409 3.501 20 0 EHADRM CCO[C@@H](C(=O)Nc1c(C)sc(C)c1C(=O)[O-])C1CCCC1 ZINC001596766708 985173706 /nfs/dbraw/zinc/17/37/06/985173706.db2.gz GESFVBJREAUUHT-CQSZACIVSA-N -1 0 325.430 3.597 20 0 EHADRM CCOC1(C(=O)Nc2cccc(SCCC(=O)[O-])c2)CCCC1 ZINC001596798410 985307123 /nfs/dbraw/zinc/30/71/23/985307123.db2.gz MALVTZABUIIZHM-UHFFFAOYSA-N -1 0 337.441 3.541 20 0 EHADRM C[C@]1(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)C[C@@H]1c1ccccc1 ZINC001599938046 985420395 /nfs/dbraw/zinc/42/03/95/985420395.db2.gz XBAQFQVBVUBOOX-LQWHRVPQSA-N -1 0 337.419 3.903 20 0 EHADRM C[Si](C)(C)c1ccc(CN2CCCc3c(C(=O)[O-])cccc32)cc1 ZINC001599940175 985445020 /nfs/dbraw/zinc/44/50/20/985445020.db2.gz WUSQKSVHHWVCIR-UHFFFAOYSA-N -1 0 339.511 3.883 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC001594481219 985525646 /nfs/dbraw/zinc/52/56/46/985525646.db2.gz UNVKZBYPYFDUOE-BDJLRTHQSA-N -1 0 328.343 3.749 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC001594481221 985526051 /nfs/dbraw/zinc/52/60/51/985526051.db2.gz UNVKZBYPYFDUOE-BZNIZROVSA-N -1 0 328.343 3.749 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cccc(Cl)c2C(=O)[O-])CCC1(F)F ZINC001594482952 985545517 /nfs/dbraw/zinc/54/55/17/985545517.db2.gz XSNBKUVTRFAUMY-QMMMGPOBSA-N -1 0 332.734 3.547 20 0 EHADRM Cc1[nH]c(C(=O)N[C@@H](C)Cc2ccc(C(C)C)cc2)c(C)c1C(=O)[O-] ZINC001599951659 985618556 /nfs/dbraw/zinc/61/85/56/985618556.db2.gz WSNMWXCZFPNTSN-LBPRGKRZSA-N -1 0 342.439 3.814 20 0 EHADRM Cc1[nH]c(C(=O)N[C@H](C)c2ccc(Cl)c(F)c2)c(C)c1C(=O)[O-] ZINC001599953549 985650419 /nfs/dbraw/zinc/65/04/19/985650419.db2.gz WUFPTJGWXSTPDJ-MRVPVSSYSA-N -1 0 338.766 3.613 20 0 EHADRM CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001589204745 985663361 /nfs/dbraw/zinc/66/33/61/985663361.db2.gz BZLZBPWSFGWTFL-ZDUSSCGKSA-N -1 0 326.396 3.502 20 0 EHADRM Cc1[nH]c(C(=O)Nc2ccc(N(C)C(C)C)c(F)c2)c(C)c1C(=O)[O-] ZINC001599954985 985673390 /nfs/dbraw/zinc/67/33/90/985673390.db2.gz XKODHQSKJJCGAG-UHFFFAOYSA-N -1 0 347.390 3.566 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1ccc(C(F)(F)F)c(F)c1 ZINC001599956713 985700248 /nfs/dbraw/zinc/70/02/48/985700248.db2.gz MANPDBGNQBZSFK-UHFFFAOYSA-N -1 0 344.264 3.740 20 0 EHADRM C[C@H]1CN(CC(=O)c2c[nH]c3ccc(C(=O)[O-])cc23)[C@H]1c1ccccc1 ZINC001594507165 985724380 /nfs/dbraw/zinc/72/43/80/985724380.db2.gz LMTRANZDWXNDET-RNODOKPDSA-N -1 0 348.402 3.742 20 0 EHADRM C[C@H]1CN(C)c2ccccc2N(C(=O)CC2(CC(=O)[O-])CCCC2)C1 ZINC001594509429 985775157 /nfs/dbraw/zinc/77/51/57/985775157.db2.gz YDMXDDAVLLFRKC-HNNXBMFYSA-N -1 0 344.455 3.531 20 0 EHADRM Cc1[nH]c2ccccc2c1C(=O)CSc1ncccc1C(=O)[O-] ZINC001599966690 985918667 /nfs/dbraw/zinc/91/86/67/985918667.db2.gz VGWRQOMQHKDSNW-UHFFFAOYSA-N -1 0 326.377 3.545 20 0 EHADRM CC(=O)c1cc(C(=O)Oc2cc(C(=O)[O-])cc(F)c2C)ccc1C ZINC001589268185 985952627 /nfs/dbraw/zinc/95/26/27/985952627.db2.gz NEYHRDIEBLZRFM-UHFFFAOYSA-N -1 0 330.311 3.563 20 0 EHADRM CC(=O)c1ccc(CC(=O)Oc2c(C(=O)[O-])ccc3ccccc32)cc1 ZINC001589283945 986017297 /nfs/dbraw/zinc/01/72/97/986017297.db2.gz VFBBMQOVZNPVSW-UHFFFAOYSA-N -1 0 348.354 3.889 20 0 EHADRM CC(=O)c1ccc(OCCOc2ccc(C=CC(=O)[O-])cc2)c(C)c1 ZINC001589297252 986038920 /nfs/dbraw/zinc/03/89/20/986038920.db2.gz GHSDRNIYWUJKNX-BJMVGYQFSA-N -1 0 340.375 3.753 20 0 EHADRM CC(=O)c1cccc(NC(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c1 ZINC001589311421 986095383 /nfs/dbraw/zinc/09/53/83/986095383.db2.gz OWQMHXDRYKLYNF-LLVKDONJSA-N -1 0 326.352 3.721 20 0 EHADRM CCOCc1ccc(-c2noc([C@H]3CC[C@H](C(=O)[O-])CC3)n2)cc1 ZINC001596946609 986099374 /nfs/dbraw/zinc/09/93/74/986099374.db2.gz ZPMVMTBGRRQDEG-SHTZXODSSA-N -1 0 330.384 3.632 20 0 EHADRM O=C([O-])c1csc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2Cl)c1 ZINC000191343204 1032112505 /nfs/dbraw/zinc/11/25/05/1032112505.db2.gz IIHZKWDOYQUETE-BDAKNGLRSA-N -1 0 339.775 3.981 20 0 EHADRM Cc1c2ccccc2oc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001599983646 986199583 /nfs/dbraw/zinc/19/95/83/986199583.db2.gz ZLESWRKVKRJFSS-CVEARBPZSA-N -1 0 335.359 3.784 20 0 EHADRM C[C@H](C(=O)N1CCC[C@](C)(C(=O)[O-])C1)c1ccccc1C(F)(F)F ZINC001589357234 986345751 /nfs/dbraw/zinc/34/57/51/986345751.db2.gz WTCJSJGICFUHLL-ZBEGNZNMSA-N -1 0 343.345 3.522 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@]1(C)CCc2ccccc21 ZINC001597009933 986346508 /nfs/dbraw/zinc/34/65/08/986346508.db2.gz SJJXHEVDRHQVFR-HXUWFJFHSA-N -1 0 339.391 3.626 20 0 EHADRM CCOc1cc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2C)ccc1C ZINC001597010040 986347777 /nfs/dbraw/zinc/34/77/77/986347777.db2.gz WOHYTXJXAUWEGW-UHFFFAOYSA-N -1 0 331.343 3.792 20 0 EHADRM C[C@@H](C(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1cn(C)c2ccccc12 ZINC001589369119 986409994 /nfs/dbraw/zinc/40/99/94/986409994.db2.gz MCWBAXHYUWWSBC-CYBMUJFWSA-N -1 0 348.402 3.522 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC001597022279 986420064 /nfs/dbraw/zinc/42/00/64/986420064.db2.gz QOQCBABINGXRAE-KCQAQPDRSA-N -1 0 346.427 3.874 20 0 EHADRM C[C@H](C(=O)N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1)C1CCCC1 ZINC001589373523 986422434 /nfs/dbraw/zinc/42/24/34/986422434.db2.gz DXNLJJMLJUJREJ-HZMBPMFUSA-N -1 0 343.345 3.774 20 0 EHADRM C[C@@H](C(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1)C1CCCC1 ZINC001589409875 986607137 /nfs/dbraw/zinc/60/71/37/986607137.db2.gz LRQLXAIECBRZAC-GFCCVEGCSA-N -1 0 329.396 3.616 20 0 EHADRM C[C@@H]1CSc2ccccc2N(C(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC001594612643 986611123 /nfs/dbraw/zinc/61/11/23/986611123.db2.gz SAQLSHQEFNILTB-ZDUSSCGKSA-N -1 0 341.432 3.702 20 0 EHADRM C[C@H]1Cc2ccccc2N(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])C1 ZINC001594622576 986668166 /nfs/dbraw/zinc/66/81/66/986668166.db2.gz LYXACMRFAGVWTI-ZDUSSCGKSA-N -1 0 348.402 3.634 20 0 EHADRM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001594623048 986671037 /nfs/dbraw/zinc/67/10/37/986671037.db2.gz RPCGKYBLFXOQCT-ADLMAVQZSA-N -1 0 342.370 3.508 20 0 EHADRM CCOc1ccc(CCC(=O)Nc2cc(F)cc(C(=O)[O-])c2F)cc1 ZINC001597095528 986692666 /nfs/dbraw/zinc/69/26/66/986692666.db2.gz HDUKJXHODBISBD-UHFFFAOYSA-N -1 0 349.333 3.633 20 0 EHADRM CC(C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br)=C1CCC1 ZINC001589428144 986698423 /nfs/dbraw/zinc/69/84/23/986698423.db2.gz BNRQJWWHRBYTDN-UHFFFAOYSA-N -1 0 342.164 3.725 20 0 EHADRM C[C@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)c1cccs1 ZINC001589435835 986747535 /nfs/dbraw/zinc/74/75/35/986747535.db2.gz MIRRHCHLZYCKSU-ZETCQYMHSA-N -1 0 327.764 3.981 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC001589435997 986748406 /nfs/dbraw/zinc/74/84/06/986748406.db2.gz PASZMUSQLZFELE-LLVKDONJSA-N -1 0 333.334 3.724 20 0 EHADRM CCOc1ccc(NC(=O)c2cc(F)ccc2C)c(C(=O)[O-])c1F ZINC001597122213 986815181 /nfs/dbraw/zinc/81/51/81/986815181.db2.gz COCYAOICTSBTKA-UHFFFAOYSA-N -1 0 335.306 3.622 20 0 EHADRM CCOc1ccc(N[C@H]2CC[C@H](C(=O)[O-])C2)cc1Br ZINC001597123743 986826624 /nfs/dbraw/zinc/82/66/24/986826624.db2.gz QUMZQLLARJEYFS-UWVGGRQHSA-N -1 0 328.206 3.513 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)[C@H]1CC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC001589453377 986861210 /nfs/dbraw/zinc/86/12/10/986861210.db2.gz FWCSJULUVAHFEB-PYJNHQTQSA-N -1 0 343.345 3.543 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)/C=C/CCc1ccccc1)c1ccccc1 ZINC001589454305 986876165 /nfs/dbraw/zinc/87/61/65/986876165.db2.gz NGESZARXKYGVAY-AGHVPPMNSA-N -1 0 337.419 3.754 20 0 EHADRM C[C@H]1Oc2ccccc2[C@H]1NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001594654671 986885638 /nfs/dbraw/zinc/88/56/38/986885638.db2.gz INLHAMJAFYZNKF-PSLIRLAXSA-N -1 0 346.770 3.682 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)Nc1ccc2ccccc2n1)c1ccccc1 ZINC001589458349 986902107 /nfs/dbraw/zinc/90/21/07/986902107.db2.gz LTYXXFZVSCRYCW-UGSOOPFHSA-N -1 0 349.390 3.818 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccc2c(c1)CCC=C2)c1ccccc1 ZINC001589461489 986911086 /nfs/dbraw/zinc/91/10/86/986911086.db2.gz FCNALVBWHJQULR-IFXJQAMLSA-N -1 0 335.403 3.838 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cccc2cc(O)ccc21)c1ccccc1 ZINC001589463009 986921672 /nfs/dbraw/zinc/92/16/72/986921672.db2.gz XNMLNMMPEGTRCV-ORAYPTAESA-N -1 0 349.386 3.737 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NCc1c(Cl)cncc1Cl)c1ccccc1 ZINC001589469629 986945634 /nfs/dbraw/zinc/94/56/34/986945634.db2.gz WJAWGQZGVXFEEG-MEBBXXQBSA-N -1 0 339.222 3.940 20 0 EHADRM C[C@H]1c2cc(Cl)c(Cl)cc2CCN1c1cncc(C(=O)[O-])n1 ZINC001594665159 986956749 /nfs/dbraw/zinc/95/67/49/986956749.db2.gz AHRICZNXMQWUHI-QMMMGPOBSA-N -1 0 338.194 3.605 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)CCCc1ccc(C2CC2)cc1)C1CCC1 ZINC001589473170 986971992 /nfs/dbraw/zinc/97/19/92/986971992.db2.gz XRTQWQIRNNYOII-AWEZNQCLSA-N -1 0 329.440 3.741 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)c1ccc(CCC(F)(F)F)cc1)C1CCC1 ZINC001589477455 986984275 /nfs/dbraw/zinc/98/42/75/986984275.db2.gz RTOFJUFFOMRKJJ-NSHDSACASA-N -1 0 343.345 3.649 20 0 EHADRM C/C=C(/C=C\C(=O)Nc1cc(CCC(=O)[O-])ccc1OCOC)CC ZINC001594677323 987014780 /nfs/dbraw/zinc/01/47/80/987014780.db2.gz JQCJAEXDPHQQCW-RSGJBXMKSA-N -1 0 347.411 3.538 20 0 EHADRM CCOc1ccccc1CCC(=O)OCc1ccc(C(=O)[O-])s1 ZINC001597173442 987017648 /nfs/dbraw/zinc/01/76/48/987017648.db2.gz GVJMNCNLRPYUNJ-UHFFFAOYSA-N -1 0 334.393 3.521 20 0 EHADRM C/C=C/C[C@H]1CCCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC001594685184 987052262 /nfs/dbraw/zinc/05/22/62/987052262.db2.gz ANPJYDXYLCZWSJ-VUDBWIFFSA-N -1 0 338.354 3.873 20 0 EHADRM CC/C(=C\C(=O)N[C@@H](C(=O)[O-])c1ccsc1)c1ccc(C)cc1 ZINC001594690640 987081917 /nfs/dbraw/zinc/08/19/17/987081917.db2.gz GAJCPDFUXYFHDK-JIIJFUIFSA-N -1 0 329.421 3.792 20 0 EHADRM CCC(=O)N(C)c1ccc(NCc2cc(C(=O)[O-])c(CC)o2)cc1 ZINC001594695519 987115737 /nfs/dbraw/zinc/11/57/37/987115737.db2.gz LHZCNLMMSGMTDV-UHFFFAOYSA-N -1 0 330.384 3.525 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)CCCCC(=O)OC(C)(C)C)cc1 ZINC001589504948 987116927 /nfs/dbraw/zinc/11/69/27/987116927.db2.gz PWFYZTYAZDTEMB-ZDUSSCGKSA-N -1 0 349.427 3.715 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)Cc2c[nH]c3cc(F)ccc23)cc1 ZINC001589505724 987121898 /nfs/dbraw/zinc/12/18/98/987121898.db2.gz XYDUYVNGOWAPAT-NSHDSACASA-N -1 0 340.354 3.676 20 0 EHADRM CCc1csc(CC2CCN(C(=O)c3c([O-])cccc3F)CC2)n1 ZINC000655262531 1015279270 /nfs/dbraw/zinc/27/92/70/1015279270.db2.gz ATRLSPWMPOZORG-UHFFFAOYSA-N -1 0 348.443 3.645 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NC[C@@H]2CC(C)(C)OC2(C)C)cc1 ZINC001589512262 987148521 /nfs/dbraw/zinc/14/85/21/987148521.db2.gz JGAQBKCWKIUMJF-JSGCOSHPSA-N -1 0 348.443 3.590 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2ccc(-c3cc[nH]n3)s2)cc1 ZINC001589521047 987163893 /nfs/dbraw/zinc/16/38/93/987163893.db2.gz HTXCJVZPGHMPAV-JTQLQIEISA-N -1 0 341.392 3.579 20 0 EHADRM CCC(=O)Nc1ccc(C)c(NCc2ccc(/C=C/C(=O)[O-])o2)c1 ZINC001594710973 987173266 /nfs/dbraw/zinc/17/32/66/987173266.db2.gz YVOWYIQVCYHLDL-CMDGGOBGSA-N -1 0 328.368 3.646 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cncnc2-c2ccccc2)c1 ZINC001589531527 987204339 /nfs/dbraw/zinc/20/43/39/987204339.db2.gz GPDVTLRAMXOERO-ZDUSSCGKSA-N -1 0 347.374 3.584 20 0 EHADRM C[C@@H](Nc1cccc([C@H](C)C(=O)[O-])c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001589532997 987221165 /nfs/dbraw/zinc/22/11/65/987221165.db2.gz XTCYLAZEAQULOQ-QWHCGFSZSA-N -1 0 348.443 3.542 20 0 EHADRM CC[C@H](C(=O)N(CC(=O)[O-])c1cccc(C)n1)C1CCC(C)CC1 ZINC001594725400 987230924 /nfs/dbraw/zinc/23/09/24/987230924.db2.gz VCEVGVOPQVLZHS-BCLQGDPASA-N -1 0 332.444 3.660 20 0 EHADRM CC[C@H](C(=O)N(CC(=O)[O-])CC(C)C)c1cccc(C(F)(F)F)c1 ZINC001594725639 987232905 /nfs/dbraw/zinc/23/29/05/987232905.db2.gz ZLSPFUDDWYHUIO-AWEZNQCLSA-N -1 0 345.361 3.768 20 0 EHADRM CCS[C@H](C(=O)NC[C@H](C(=O)[O-])C1CCCCCC1)C(C)C ZINC001597251158 987240502 /nfs/dbraw/zinc/24/05/02/987240502.db2.gz HBMVPUDVOYLDDG-GJZGRUSLSA-N -1 0 329.506 3.552 20 0 EHADRM CCS[C@H](C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)C(C)C ZINC001597251872 987245922 /nfs/dbraw/zinc/24/59/22/987245922.db2.gz YWNQVZNDAKPKJU-LBPRGKRZSA-N -1 0 333.812 3.894 20 0 EHADRM C[C@@H](C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC001589540850 987248736 /nfs/dbraw/zinc/24/87/36/987248736.db2.gz SIEVBOAYZUZCDS-PSLIRLAXSA-N -1 0 338.281 3.577 20 0 EHADRM CC[C@@H](C(=O)NC1(CC(=O)[O-])CCC1)c1cccc(C(F)(F)F)c1 ZINC001594733537 987254694 /nfs/dbraw/zinc/25/46/94/987254694.db2.gz CGVRZUOWQUJJJX-CYBMUJFWSA-N -1 0 343.345 3.713 20 0 EHADRM CC[C@H](C(=O)Nc1ncc(C(=O)[O-])cc1Cl)c1ccc(OC)cc1 ZINC001594735040 987265686 /nfs/dbraw/zinc/26/56/86/987265686.db2.gz HAILSCXQJVPKLL-ZDUSSCGKSA-N -1 0 348.786 3.574 20 0 EHADRM CC[C@H](C(=O)Nc1cc(C(=O)[O-])cc(OC)c1O)C1CCC(C)CC1 ZINC001594735926 987273030 /nfs/dbraw/zinc/27/30/30/987273030.db2.gz RERIDYJUXOLSBC-YIZWMMSDSA-N -1 0 349.427 3.890 20 0 EHADRM C[C@H](C(=O)OC[C@](C)(C(=O)[O-])c1ccccc1)c1ccccc1F ZINC001589549067 987282811 /nfs/dbraw/zinc/28/28/11/987282811.db2.gz VMGPDBIJXIXLDW-DJJJIMSYSA-N -1 0 330.355 3.515 20 0 EHADRM CCSCc1cc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)no1 ZINC001597263602 987289741 /nfs/dbraw/zinc/28/97/41/987289741.db2.gz KSVBUPOKWZDQQS-UHFFFAOYSA-N -1 0 340.788 3.532 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC001597271144 987317827 /nfs/dbraw/zinc/31/78/27/987317827.db2.gz WPNRORRTGNGUNM-RDQDRAATSA-N -1 0 345.420 3.980 20 0 EHADRM CCSc1ccc(CC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1 ZINC001597272337 987320038 /nfs/dbraw/zinc/32/00/38/987320038.db2.gz FATKIXOPDWPZGH-UHFFFAOYSA-N -1 0 347.411 3.746 20 0 EHADRM CCSc1cccc(F)c1NC(=O)NCc1ccc(C(=O)[O-])o1 ZINC001597276996 987331646 /nfs/dbraw/zinc/33/16/46/987331646.db2.gz ATNJHPLZAWWITG-UHFFFAOYSA-N -1 0 338.360 3.551 20 0 EHADRM CC(C)(C(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1)C1CC1 ZINC001589576063 987353422 /nfs/dbraw/zinc/35/34/22/987353422.db2.gz HAFOIHMBHARWES-UHFFFAOYSA-N -1 0 340.379 3.947 20 0 EHADRM CC(C)(C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)c1cccc(F)c1 ZINC001589579210 987358337 /nfs/dbraw/zinc/35/83/37/987358337.db2.gz FXPVAMGEROIFCT-UHFFFAOYSA-N -1 0 340.354 3.922 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)N1CCC[C@@H](C2CC2)C1)c1ccccc1 ZINC001589594670 987411413 /nfs/dbraw/zinc/41/14/13/987411413.db2.gz QOVDAVWNKHETQO-SJORKVTESA-N -1 0 344.455 3.670 20 0 EHADRM CC[C@H](NC(=O)N1CCc2cccc(C(=O)[O-])c2C1)c1ccccc1 ZINC001597334199 987468974 /nfs/dbraw/zinc/46/89/74/987468974.db2.gz JNYSGKLOBVUNKG-SFHVURJKSA-N -1 0 338.407 3.604 20 0 EHADRM CCc1[nH]c(C(=O)N(C)[C@@H]2CCCc3ccccc32)c(C)c1C(=O)[O-] ZINC001597354593 987497197 /nfs/dbraw/zinc/49/71/97/987497197.db2.gz KNWBYKAQHCDVCC-MRXNPFEDSA-N -1 0 340.423 3.733 20 0 EHADRM CCc1[nH]c(C(=O)N2CC[C@H](C)[C@@H]2c2ccccc2)c(C)c1C(=O)[O-] ZINC001597357764 987509894 /nfs/dbraw/zinc/50/98/94/987509894.db2.gz JZNNPOUFSRLUDT-KPZWWZAWSA-N -1 0 340.423 3.807 20 0 EHADRM CCc1[nH]c(C(=O)N[C@H](c2ccc(F)cc2)C(C)C)c(C)c1C(=O)[O-] ZINC001597363574 987531139 /nfs/dbraw/zinc/53/11/39/987531139.db2.gz LKOHQGDGZRCGCV-INIZCTEOSA-N -1 0 346.402 3.850 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(NC(=O)NC2CCCCCCC2)n1 ZINC001589655219 987613616 /nfs/dbraw/zinc/61/36/16/987613616.db2.gz UCNQWPXVEDGFCA-UHFFFAOYSA-N -1 0 339.461 3.740 20 0 EHADRM CCc1c2ccccc2oc1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001597406963 987689195 /nfs/dbraw/zinc/68/91/95/987689195.db2.gz CFUUCQRAVMBAEY-UHFFFAOYSA-N -1 0 337.375 3.666 20 0 EHADRM CCc1c2ccccc2oc1C(=O)NCc1cc(C)c(C(=O)[O-])o1 ZINC001597406986 987690682 /nfs/dbraw/zinc/69/06/82/987690682.db2.gz FOMCULKFIVXKJA-UHFFFAOYSA-N -1 0 327.336 3.525 20 0 EHADRM CCc1c2ccccc2oc1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC001597412504 987706681 /nfs/dbraw/zinc/70/66/81/987706681.db2.gz KSFNANDFCNGXEG-UHFFFAOYSA-N -1 0 344.392 3.721 20 0 EHADRM CC(C)(C)C(=O)CCCC(=O)N1CCCCc2cc(C(=O)[O-])ccc21 ZINC001589686095 987730091 /nfs/dbraw/zinc/73/00/91/987730091.db2.gz NCWIPZPDAHILBJ-UHFFFAOYSA-N -1 0 345.439 3.840 20 0 EHADRM CCc1cc(C(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)ccc1O ZINC001597430051 987769844 /nfs/dbraw/zinc/76/98/44/987769844.db2.gz YVWHFQWXRPBQIW-KRWDZBQOSA-N -1 0 347.455 3.888 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)CCc1ccc(F)c2ccccc12 ZINC001589699802 987787739 /nfs/dbraw/zinc/78/77/39/987787739.db2.gz GYCGWJWUIWWTBF-KRWDZBQOSA-N -1 0 345.414 3.917 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC001589699879 987788618 /nfs/dbraw/zinc/78/86/18/987788618.db2.gz HRGOVBSEHBBHRE-BBWFWOEESA-N -1 0 331.456 3.651 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)Nc1csc(-c2ccccc2)n1 ZINC001589703203 987804757 /nfs/dbraw/zinc/80/47/57/987804757.db2.gz VWKQACKUMXTWNJ-LBPRGKRZSA-N -1 0 347.440 3.821 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)N(C)[C@H](C)CCSC)s1 ZINC001597442860 987807892 /nfs/dbraw/zinc/80/78/92/987807892.db2.gz GRLOCFRTURCJPW-SECBINFHSA-N -1 0 330.475 3.614 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC001589704296 987809683 /nfs/dbraw/zinc/80/96/83/987809683.db2.gz INNKWJBQIJMWPY-LLVKDONJSA-N -1 0 349.761 3.561 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2cccc3c2OC(C)(C)C3)s1 ZINC001597446025 987821387 /nfs/dbraw/zinc/82/13/87/987821387.db2.gz WTJURYUHAAXUSA-UHFFFAOYSA-N -1 0 345.420 3.975 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)Cc1ccccc1OC(C)C ZINC001597452513 987848371 /nfs/dbraw/zinc/84/83/71/987848371.db2.gz QAHHPXPXKSXURC-UHFFFAOYSA-N -1 0 341.407 3.916 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@H](OC2CCC2)C1 ZINC001597453114 987853561 /nfs/dbraw/zinc/85/35/61/987853561.db2.gz MBNXBOIRVGBVFS-INIZCTEOSA-N -1 0 346.427 3.513 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NC1(c2ccc(F)cc2)CC1 ZINC001597456636 987864064 /nfs/dbraw/zinc/86/40/64/987864064.db2.gz JMHBKLSUESEDNU-UHFFFAOYSA-N -1 0 342.370 3.897 20 0 EHADRM CC(C)(C)C1CC(C(=O)Nc2cc3c(cc2C(=O)[O-])OCCCO3)C1 ZINC001589726168 987905370 /nfs/dbraw/zinc/90/53/70/987905370.db2.gz AYCKBDYZVUHWFP-UHFFFAOYSA-N -1 0 347.411 3.557 20 0 EHADRM CCc1cc(C)c(OS(=O)(=O)c2cccc(C)c2C(=O)[O-])c(C)c1 ZINC001597471449 987934457 /nfs/dbraw/zinc/93/44/57/987934457.db2.gz LFOIQQAPVRCGEY-UHFFFAOYSA-N -1 0 348.420 3.640 20 0 EHADRM CCc1cc2c(ccn(Cc3c(Cl)cccc3C(=O)[O-])c2=O)o1 ZINC001597488819 988002917 /nfs/dbraw/zinc/00/29/17/988002917.db2.gz OFURUOQTIKVRIR-UHFFFAOYSA-N -1 0 331.755 3.557 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)NCc1cc(C(=O)[O-])co1)c1ccccc1 ZINC001589745200 988034614 /nfs/dbraw/zinc/03/46/14/988034614.db2.gz AOKORNDOSFCECO-MRXNPFEDSA-N -1 0 344.411 3.955 20 0 EHADRM CCc1ccc(C(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)cc1CC ZINC001597498935 988050363 /nfs/dbraw/zinc/05/03/63/988050363.db2.gz SYCZEWSNPIEHAA-UHFFFAOYSA-N -1 0 329.396 3.683 20 0 EHADRM CSCC[C@@H](C)N(C)C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001599795495 988090429 /nfs/dbraw/zinc/09/04/29/988090429.db2.gz QERBGVXXJPRBMX-CHWSQXEVSA-N -1 0 338.473 3.555 20 0 EHADRM CC(C)(C)C[C@H](Sc1nc(-c2ccccc2)cc(=O)[nH]1)C(=O)[O-] ZINC001589761790 988090845 /nfs/dbraw/zinc/09/08/45/988090845.db2.gz LEBDIZBOOADFGO-ZDUSSCGKSA-N -1 0 332.425 3.831 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)c1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC001589761913 988093951 /nfs/dbraw/zinc/09/39/51/988093951.db2.gz RANYMXXVXZPGGM-CYBMUJFWSA-N -1 0 333.409 3.856 20 0 EHADRM CSCC[C@H](OC(=O)[C@H](C)c1ccc2ccccc2c1)C(=O)[O-] ZINC001599796452 988105074 /nfs/dbraw/zinc/10/50/74/988105074.db2.gz OCNIHJVXZAINNM-WBMJQRKESA-N -1 0 332.421 3.693 20 0 EHADRM CSCCCCCCC(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001599797424 988120243 /nfs/dbraw/zinc/12/02/43/988120243.db2.gz KMGJSMLWCRAUOM-UHFFFAOYSA-N -1 0 331.384 3.915 20 0 EHADRM CSCCCCCCC(=O)N1C[C@H](C(=O)[O-])Cc2ccccc21 ZINC001599797452 988120442 /nfs/dbraw/zinc/12/04/42/988120442.db2.gz MFSCHGPYISHMJB-OAHLLOKOSA-N -1 0 335.469 3.590 20 0 EHADRM CC(C)(C)CCCCC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001589771936 988127788 /nfs/dbraw/zinc/12/77/88/988127788.db2.gz PGHXRDSUXYCMFV-DLBZAZTESA-N -1 0 331.456 3.920 20 0 EHADRM CCc1ccc(CCC(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)cc1 ZINC001597523086 988157955 /nfs/dbraw/zinc/15/79/55/988157955.db2.gz HOEYTZQXFVXOEQ-UHFFFAOYSA-N -1 0 344.436 3.852 20 0 EHADRM CSCCCCCNC(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001599800041 988161004 /nfs/dbraw/zinc/16/10/04/988161004.db2.gz YOBZTBMCHCFVTG-UHFFFAOYSA-N -1 0 347.440 3.588 20 0 EHADRM CCc1ccc(N(C(=O)Cc2ccccc2C(=O)[O-])C(C)C)cc1 ZINC001597530491 988185371 /nfs/dbraw/zinc/18/53/71/988185371.db2.gz CSAKRLZEIBAZPB-UHFFFAOYSA-N -1 0 325.408 3.931 20 0 EHADRM CSCc1cccc(NC(=O)c2ccccc2CCC(=O)[O-])c1 ZINC001599803247 988212647 /nfs/dbraw/zinc/21/26/47/988212647.db2.gz RXFBWLTZVAXDBJ-UHFFFAOYSA-N -1 0 329.421 3.819 20 0 EHADRM CCc1ccc(NC(=O)N(C)Cc2ccc(F)c(F)c2)c(C(=O)[O-])c1 ZINC001597545089 988246450 /nfs/dbraw/zinc/24/64/50/988246450.db2.gz QILGGHZVINGJHY-UHFFFAOYSA-N -1 0 348.349 3.889 20 0 EHADRM CSc1c(F)cc(NC(=O)Cc2ccccc2C(=O)[O-])cc1F ZINC001599805838 988255213 /nfs/dbraw/zinc/25/52/13/988255213.db2.gz AIOYTKIUUQUHJL-UHFFFAOYSA-N -1 0 337.347 3.566 20 0 EHADRM CSc1c(F)cccc1NC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001599806197 988260287 /nfs/dbraw/zinc/26/02/87/988260287.db2.gz PLXYYLOIPMDNEZ-KZULUSFZSA-N -1 0 345.395 3.745 20 0 EHADRM CSc1c(F)cccc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001599806532 988264407 /nfs/dbraw/zinc/26/44/07/988264407.db2.gz YJNCRWHFHXMXJO-UHFFFAOYSA-N -1 0 341.310 3.776 20 0 EHADRM CCc1ccc(NC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)cc1Cl ZINC001597548450 988264935 /nfs/dbraw/zinc/26/49/35/988264935.db2.gz VMAWOLRMSWEKGN-ZDUSSCGKSA-N -1 0 326.824 3.913 20 0 EHADRM CSc1cc(C)ccc1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001599807629 988281501 /nfs/dbraw/zinc/28/15/01/988281501.db2.gz QQNMKVQYXLMAEW-UHFFFAOYSA-N -1 0 330.409 3.988 20 0 EHADRM CC(C)(C)NC(=O)c1cccc(NCc2cc(C(=O)[O-])cs2)c1 ZINC001589830498 988299501 /nfs/dbraw/zinc/29/95/01/988299501.db2.gz OGFKQNAHLGEPAY-UHFFFAOYSA-N -1 0 332.425 3.587 20 0 EHADRM CSc1cc(C(=O)Oc2ccc(C(=O)[O-])cc2Cl)c(C)o1 ZINC001599809028 988301451 /nfs/dbraw/zinc/30/14/51/988301451.db2.gz XEHFKRYYIQORIF-UHFFFAOYSA-N -1 0 326.757 3.881 20 0 EHADRM CSc1cc(NC(=O)NCCc2ccccc2C(=O)[O-])ccc1C ZINC001599809586 988311064 /nfs/dbraw/zinc/31/10/64/988311064.db2.gz LUNDHWCTXBFYNU-UHFFFAOYSA-N -1 0 344.436 3.779 20 0 EHADRM CSc1cc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])ccc1Cl ZINC001599809767 988314329 /nfs/dbraw/zinc/31/43/29/988314329.db2.gz QITXJDOHWXIFOH-WDEREUQCSA-N -1 0 327.833 3.891 20 0 EHADRM CCc1ccc2c(c1)[C@H](OC(=O)c1ccc(/C=C/C(=O)[O-])o1)CCO2 ZINC001597567978 988319874 /nfs/dbraw/zinc/31/98/74/988319874.db2.gz AKMGUKQHLFJSSF-CDVVCGDMSA-N -1 0 342.347 3.620 20 0 EHADRM CCc1ccc2c(c1)[C@@H](NCc1ccc(/C=C/C(=O)[O-])o1)CCO2 ZINC001597568021 988321137 /nfs/dbraw/zinc/32/11/37/988321137.db2.gz BUTOQSLKNMVVHT-JKNJVXJCSA-N -1 0 327.380 3.553 20 0 EHADRM CCc1ccc2occ(C(=O)OCc3nc(C)c(C(=O)[O-])s3)c2c1 ZINC001597570516 988344911 /nfs/dbraw/zinc/34/49/11/988344911.db2.gz MOIWZCGUIGYHNY-UHFFFAOYSA-N -1 0 345.376 3.815 20 0 EHADRM CCc1ccc2occ(C(=O)N3Cc4ccc(C(=O)[O-])cc4C3)c2c1 ZINC001597570519 988345192 /nfs/dbraw/zinc/34/51/92/988345192.db2.gz MTDYJUNCZRZTEG-UHFFFAOYSA-N -1 0 335.359 3.849 20 0 EHADRM CCc1cccc(C(=O)N2CCCCc3cc(C(=O)[O-])ccc32)c1O ZINC001597570661 988348269 /nfs/dbraw/zinc/34/82/69/988348269.db2.gz WUHRHIGFNRBTJO-UHFFFAOYSA-N -1 0 339.391 3.636 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cc(C)n([C@@H](C)C2CC2)n1 ZINC001597571363 988350425 /nfs/dbraw/zinc/35/04/25/988350425.db2.gz CQUAUNWGZXCOAT-LBPRGKRZSA-N -1 0 341.411 3.675 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)CCOc1ccccc1C ZINC001597571627 988351495 /nfs/dbraw/zinc/35/14/95/988351495.db2.gz FAUIAOIVHXWLLB-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)CC1CC(OC(C)(C)C)C1 ZINC001597573992 988359641 /nfs/dbraw/zinc/35/96/41/988359641.db2.gz XILSITLPHUGWSP-UHFFFAOYSA-N -1 0 333.428 3.870 20 0 EHADRM CSc1ccc(CCC(=O)Nc2ccc(F)cc2C(=O)[O-])cc1 ZINC001599812434 988361257 /nfs/dbraw/zinc/36/12/57/988361257.db2.gz DSVCNKLXYKEOAM-UHFFFAOYSA-N -1 0 333.384 3.817 20 0 EHADRM CSc1ccc(/C=C/C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)s1 ZINC001599813484 988379393 /nfs/dbraw/zinc/37/93/93/988379393.db2.gz WPNPGPLNGZQTRS-GQCTYLIASA-N -1 0 345.445 3.724 20 0 EHADRM CSc1ccc(N(C)C(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC001599814224 988391975 /nfs/dbraw/zinc/39/19/75/988391975.db2.gz INUVBDMAQFKIHN-UHFFFAOYSA-N -1 0 334.372 3.914 20 0 EHADRM CSc1ccc(Cl)c(NC(=O)c2oc(C(=O)[O-])cc2C)c1 ZINC001599814431 988395898 /nfs/dbraw/zinc/39/58/98/988395898.db2.gz KNLGXRGZMYVGNI-UHFFFAOYSA-N -1 0 325.773 3.914 20 0 EHADRM CSc1ccc(NC(=O)[C@H](C)SCC(C)(C)C(=O)[O-])cc1 ZINC001599816435 988433369 /nfs/dbraw/zinc/43/33/69/988433369.db2.gz WSUTYUQINJBQAP-JTQLQIEISA-N -1 0 327.471 3.580 20 0 EHADRM CSc1ccc(NC(=O)N2C[C@@H](C3CC3)[C@@H]2C2CC2)cc1C(=O)[O-] ZINC001599816925 988443302 /nfs/dbraw/zinc/44/33/02/988443302.db2.gz PAXDNSTUVGPXST-HOCLYGCPSA-N -1 0 346.452 3.759 20 0 EHADRM CSc1ccc(NC(=O)N[C@@H]2CC3CCC2CC3)cc1C(=O)[O-] ZINC001599817013 988444698 /nfs/dbraw/zinc/44/46/98/988444698.db2.gz CICPLCGPRXWRKU-QIMFLAQGSA-N -1 0 334.441 3.807 20 0 EHADRM CSc1ccc(NC(=O)NC(C)(C2CC2)C2CC2)cc1C(=O)[O-] ZINC001599817782 988457023 /nfs/dbraw/zinc/45/70/23/988457023.db2.gz KKWFZNRBLJLRTC-UHFFFAOYSA-N -1 0 334.441 3.807 20 0 EHADRM CCc1cccc2c(CC(=O)OCc3ccsc3C(=O)[O-])c[nH]c21 ZINC001597603337 988464713 /nfs/dbraw/zinc/46/47/13/988464713.db2.gz VSJHWRIMLUGKIW-UHFFFAOYSA-N -1 0 343.404 3.776 20 0 EHADRM CSc1ccc(NC(=O)NCCSCC(C)C)cc1C(=O)[O-] ZINC001599818197 988465380 /nfs/dbraw/zinc/46/53/80/988465380.db2.gz AUMATQOHDNSUFA-UHFFFAOYSA-N -1 0 342.486 3.617 20 0 EHADRM CSc1ccc(NC(=O)Nc2cn(C)nc2C(C)C)cc1C(=O)[O-] ZINC001599819068 988480716 /nfs/dbraw/zinc/48/07/16/988480716.db2.gz JLXYLFDPJAMWRJ-UHFFFAOYSA-N -1 0 348.428 3.608 20 0 EHADRM CCc1ccccc1CC(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC001597608788 988487240 /nfs/dbraw/zinc/48/72/40/988487240.db2.gz DBMCZWZIXWLURP-OALUTQOASA-N -1 0 337.419 3.608 20 0 EHADRM CCc1ccccc1NC(=O)[C@@H](C)Sc1nc(C(=O)[O-])cs1 ZINC001597611873 988512117 /nfs/dbraw/zinc/51/21/17/988512117.db2.gz RUPRXKPXPBKDQQ-SECBINFHSA-N -1 0 336.438 3.523 20 0 EHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001597621513 988549399 /nfs/dbraw/zinc/54/93/99/988549399.db2.gz OEUWOBXEYXWXTF-LSDHHAIUSA-N -1 0 349.390 3.566 20 0 EHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001597621461 988549741 /nfs/dbraw/zinc/54/97/41/988549741.db2.gz NDLQMGIHBPZKDW-FVJLSDCUSA-N -1 0 343.467 3.892 20 0 EHADRM CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001597622028 988556997 /nfs/dbraw/zinc/55/69/97/988556997.db2.gz WXOHANDOTIXWJC-UONOGXRCSA-N -1 0 345.345 3.968 20 0 EHADRM CSc1ccccc1CC(=O)OCc1cc(C(=O)[O-])sc1C ZINC001599823855 988562701 /nfs/dbraw/zinc/56/27/01/988562701.db2.gz HZTDIRWPYSKXBE-UHFFFAOYSA-N -1 0 336.434 3.763 20 0 EHADRM CSc1ccccc1COC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001599824259 988568731 /nfs/dbraw/zinc/56/87/31/988568731.db2.gz UBXQZANSJPUVMR-UHFFFAOYSA-N -1 0 334.437 3.877 20 0 EHADRM CCc1cnccc1[C@H](C)NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001597636994 988621244 /nfs/dbraw/zinc/62/12/44/988621244.db2.gz TWQJQZSJIMRAIO-VIFPVBQESA-N -1 0 349.337 3.503 20 0 EHADRM CCc1cnccc1CNC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001597637061 988621340 /nfs/dbraw/zinc/62/13/40/988621340.db2.gz USYYPVQTGNKJMH-UHFFFAOYSA-N -1 0 349.390 3.817 20 0 EHADRM CN(C(=O)c1c([O-])cccc1F)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000274813744 1015414534 /nfs/dbraw/zinc/41/45/34/1015414534.db2.gz WCKZXPGKXPCIKN-RHSMWYFYSA-N -1 0 347.361 3.663 20 0 EHADRM CCc1nc(NC(=O)[C@@H]2CCC[C@@H]2c2ccccc2)sc1C(=O)[O-] ZINC001597676617 988792574 /nfs/dbraw/zinc/79/25/74/988792574.db2.gz YGFMPTBQKRXWSN-CHWSQXEVSA-N -1 0 344.436 3.926 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])s1)c1ccc(F)cc1F ZINC001599839529 988800629 /nfs/dbraw/zinc/80/06/29/988800629.db2.gz PGWUQSQUXHWPDG-SSDOTTSWSA-N -1 0 326.324 3.607 20 0 EHADRM C[C@@H](NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-])C1CCCCCC1 ZINC001599839873 988807335 /nfs/dbraw/zinc/80/73/35/988807335.db2.gz OFHYARIWDYLQBW-CYBMUJFWSA-N -1 0 342.439 3.884 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1F)c1ccc2c(c1)CCC2 ZINC001599840671 988822535 /nfs/dbraw/zinc/82/25/35/988822535.db2.gz GWLZMWZZILFWSH-LLVKDONJSA-N -1 0 327.355 3.504 20 0 EHADRM CCc1ncc(C(=O)Nc2c3ccc(C)nc3sc2C(=O)[O-])s1 ZINC001597697288 988906434 /nfs/dbraw/zinc/90/64/34/988906434.db2.gz VDPYKXFBEWAEDT-UHFFFAOYSA-N -1 0 347.421 3.574 20 0 EHADRM C[C@@H](O)CN(C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-])C1CC1 ZINC000655374197 1015453332 /nfs/dbraw/zinc/45/33/32/1015453332.db2.gz NODVRDQYSNUPFY-GFCCVEGCSA-N -1 0 345.826 3.698 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)c2ccccc2O1 ZINC001599870882 989347983 /nfs/dbraw/zinc/34/79/83/989347983.db2.gz LMPWHLDOUOYRKF-MEBBXXQBSA-N -1 0 344.342 3.558 20 0 EHADRM CCc1oc2ccccc2c1-c1cc(CCC(=O)CC(=O)[O-])on1 ZINC001597804659 989407369 /nfs/dbraw/zinc/40/73/69/989407369.db2.gz IKUHSVAKTNYNLS-UHFFFAOYSA-N -1 0 327.336 3.627 20 0 EHADRM CCc1oc2ccccc2c1CC(=O)N[C@H](CC(=O)[O-])C(C)(C)C ZINC001597808023 989422606 /nfs/dbraw/zinc/42/26/06/989422606.db2.gz QDHPADOCCZJWSR-MRXNPFEDSA-N -1 0 331.412 3.543 20 0 EHADRM CCn1cc(C(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)c2ccccc21 ZINC001597880758 989703795 /nfs/dbraw/zinc/70/37/95/989703795.db2.gz ZTKKBXQPMUFHAS-LLVKDONJSA-N -1 0 327.336 3.870 20 0 EHADRM CC(C)(C)OCCNC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001590388831 989910669 /nfs/dbraw/zinc/91/06/69/989910669.db2.gz VIZHFFHSYKWIBW-UHFFFAOYSA-N -1 0 336.413 3.536 20 0 EHADRM CC(C)(C)OCc1ccccc1NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001590398603 989930343 /nfs/dbraw/zinc/93/03/43/989930343.db2.gz JIWHKZTYQOBHIC-DZGCQCFKSA-N -1 0 348.443 3.767 20 0 EHADRM CC(C)(C)OCc1ccccc1C(=O)O[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001590398606 989930586 /nfs/dbraw/zinc/93/05/86/989930586.db2.gz JLLVDAJBZUQWDZ-HIFRSBDPSA-N -1 0 334.412 3.802 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)Oc2ccc(C(=O)[O-])cc2Cl)nc1 ZINC001590408784 989943489 /nfs/dbraw/zinc/94/34/89/989943489.db2.gz FUPMSIGCPRTKDL-UHFFFAOYSA-N -1 0 349.770 3.830 20 0 EHADRM CC(C)(C)Oc1ccc(-c2noc([C@@H]3CCC[C@@H](C(=O)[O-])C3)n2)nc1 ZINC001590410378 989951998 /nfs/dbraw/zinc/95/19/98/989951998.db2.gz UTACEEHHJJQOLK-VXGBXAGGSA-N -1 0 345.399 3.667 20 0 EHADRM CC(C)(C)Oc1cccc(CNC(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC001590419524 989960284 /nfs/dbraw/zinc/96/02/84/989960284.db2.gz AYEAGZLDSUSHFS-UHFFFAOYSA-N -1 0 342.395 3.884 20 0 EHADRM CC(C)(C)Oc1cccc(CSCc2cnc(C(=O)[O-])cn2)c1 ZINC001590419577 989961290 /nfs/dbraw/zinc/96/12/90/989961290.db2.gz DERXVDIVXSEAEN-UHFFFAOYSA-N -1 0 332.425 3.786 20 0 EHADRM CC(C)(C)Oc1cccc(NC(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC001590420052 989962810 /nfs/dbraw/zinc/96/28/10/989962810.db2.gz MBBVGKULOQTTMT-UHFFFAOYSA-N -1 0 331.343 3.954 20 0 EHADRM CC(C)(C)[C@H](NC(=O)[C@@H](OCC1CCCC1)c1ccccc1)C(=O)[O-] ZINC001590435595 989998795 /nfs/dbraw/zinc/99/87/95/989998795.db2.gz TWIPIZJCZIQJPJ-DLBZAZTESA-N -1 0 347.455 3.550 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=S)NCC2CCC2)s1 ZINC001590463040 990035492 /nfs/dbraw/zinc/03/54/92/990035492.db2.gz BKEJSNROHYXBLQ-UHFFFAOYSA-N -1 0 326.487 3.830 20 0 EHADRM CC(C)(C)c1ccc(C(F)(F)C(=O)Nc2ccc(C(=O)[O-])nc2)cc1 ZINC001590479562 990053354 /nfs/dbraw/zinc/05/33/54/990053354.db2.gz AZNUFSHPDPNCGN-UHFFFAOYSA-N -1 0 348.349 3.808 20 0 EHADRM CC(C)(C)c1ccc(C2=N/C(=C\c3ccc(C(=O)[O-])o3)C(=O)O2)cc1 ZINC001590480750 990069219 /nfs/dbraw/zinc/06/92/19/990069219.db2.gz ZXMSNHHNXIJAFZ-UVTDQMKNSA-N -1 0 339.347 3.620 20 0 EHADRM CN(C(=O)C1CC1)c1ccc(NCc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001597996755 990105167 /nfs/dbraw/zinc/10/51/67/990105167.db2.gz DMCPXYOHPICGAK-UHFFFAOYSA-N -1 0 342.370 3.509 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)CNc1cc(C(=O)[O-])ccc1F ZINC001590505170 990119570 /nfs/dbraw/zinc/11/95/70/990119570.db2.gz CIJXMYPYJQWPRA-UHFFFAOYSA-N -1 0 344.386 3.872 20 0 EHADRM CC(C)(C)c1cnc(CN2CCc3c(F)ccc(C(=O)[O-])c3C2)s1 ZINC001590516020 990133908 /nfs/dbraw/zinc/13/39/08/990133908.db2.gz WGXGUKPKLGLGNB-UHFFFAOYSA-N -1 0 348.443 3.836 20 0 EHADRM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1cc(F)c2ccccc2c1 ZINC000339691308 1015539443 /nfs/dbraw/zinc/53/94/43/1015539443.db2.gz NIGPEGAZKVLYRN-UHFFFAOYSA-N -1 0 349.321 3.575 20 0 EHADRM CC(C)(C)c1csc(CNc2ncc(C(=O)[O-])cc2Cl)n1 ZINC001590533503 990147233 /nfs/dbraw/zinc/14/72/33/990147233.db2.gz WQFKSGXLPPZGFY-UHFFFAOYSA-N -1 0 325.821 3.799 20 0 EHADRM CC(C)(C)c1n[nH]cc1C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001590537048 990150691 /nfs/dbraw/zinc/15/06/91/990150691.db2.gz OBXOTKBDPVLQHK-UHFFFAOYSA-N -1 0 347.440 3.526 20 0 EHADRM CN(C(=O)CC(C)(C)C)[C@H](C(=O)[O-])c1ccc(Br)s1 ZINC001598006920 990162775 /nfs/dbraw/zinc/16/27/75/990162775.db2.gz BZIXKDWNNTZPHS-NSHDSACASA-N -1 0 348.262 3.531 20 0 EHADRM CN(C(=O)CCCOc1ccc(C(C)(C)C)cc1)C(C)(C)CC(=O)[O-] ZINC001598013469 990193183 /nfs/dbraw/zinc/19/31/83/990193183.db2.gz WWYVDLDLSXXTKN-UHFFFAOYSA-N -1 0 349.471 3.855 20 0 EHADRM CN(C(=O)NCCCCCCC(=O)[O-])[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001598047457 990287178 /nfs/dbraw/zinc/28/71/78/990287178.db2.gz QNEGZDJQJGUNET-LSDHHAIUSA-N -1 0 326.481 3.878 20 0 EHADRM CN(C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])C1CC(C)(C)C1 ZINC001598049133 990292412 /nfs/dbraw/zinc/29/24/12/990292412.db2.gz HXYQWIFHMHXJNJ-HNNXBMFYSA-N -1 0 332.444 3.669 20 0 EHADRM CC(C)(CC(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1)C(F)(F)F ZINC001590648739 990333777 /nfs/dbraw/zinc/33/37/77/990333777.db2.gz DJYVDVFQXXKKOF-NSHDSACASA-N -1 0 338.709 3.988 20 0 EHADRM CN(C(=O)OCc1ccc(Cl)cc1)C1(C(=O)[O-])CCCCC1 ZINC001598067298 990358032 /nfs/dbraw/zinc/35/80/32/990358032.db2.gz VLHZAGLCXLSGQP-UHFFFAOYSA-N -1 0 325.792 3.696 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1ccc(-c2cccc(F)c2)s1 ZINC001590663003 990360277 /nfs/dbraw/zinc/36/02/77/990360277.db2.gz BDBSUQGPQOCMPG-UHFFFAOYSA-N -1 0 335.400 3.927 20 0 EHADRM CC(C)(CCNc1cccc(-c2cn3c(n2)CCCC3)c1)C(=O)[O-] ZINC001590693542 990409536 /nfs/dbraw/zinc/40/95/36/990409536.db2.gz UNDSILQIPFJUFW-UHFFFAOYSA-N -1 0 327.428 3.799 20 0 EHADRM CN(C(=O)c1ccc(SC2CC2)cc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598088500 990427824 /nfs/dbraw/zinc/42/78/24/990427824.db2.gz WWXAPMYEWCTWAQ-QGZVFWFLSA-N -1 0 341.432 3.839 20 0 EHADRM CN(C(=O)c1cccc2ccsc21)[C@H](C(=O)[O-])c1ccccc1 ZINC001598093154 990438662 /nfs/dbraw/zinc/43/86/62/990438662.db2.gz HCNSHCSPPBQZNP-HNNXBMFYSA-N -1 0 325.389 3.799 20 0 EHADRM CC(C)(CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)CC(=O)[O-] ZINC001590743522 990542131 /nfs/dbraw/zinc/54/21/31/990542131.db2.gz RYTLIUBVATVDQJ-WDEREUQCSA-N -1 0 344.238 3.714 20 0 EHADRM CC(C)(CNC(=O)c1cc2c(ccc3ccccc23)o1)CC(=O)[O-] ZINC001590749371 990548474 /nfs/dbraw/zinc/54/84/74/990548474.db2.gz POYBPBMXSWRKHJ-UHFFFAOYSA-N -1 0 325.364 3.817 20 0 EHADRM CC(C)(CNc1cc(C(F)(F)F)c(C(=O)[O-])cn1)[C@@H]1CCCCO1 ZINC001590774523 990578582 /nfs/dbraw/zinc/57/85/82/990578582.db2.gz XXEZEYUBZLDMSW-LBPRGKRZSA-N -1 0 346.349 3.806 20 0 EHADRM CC(C)(CNc1nccc(C(=O)[O-])n1)c1ccc(C(F)(F)F)cc1 ZINC001590779845 990589525 /nfs/dbraw/zinc/58/95/25/990589525.db2.gz BMRSWQJVCSVLCG-UHFFFAOYSA-N -1 0 339.317 3.583 20 0 EHADRM CC(C)=CCC[C@H](C)NC(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001590922447 990919843 /nfs/dbraw/zinc/91/98/43/990919843.db2.gz YWOWFSCADMJUBQ-AWEZNQCLSA-N -1 0 330.428 3.587 20 0 EHADRM COc1cccc2c(C(=O)N[C@@H](CC3CCCCC3)C(=O)[O-])coc21 ZINC001599688333 991024922 /nfs/dbraw/zinc/02/49/22/991024922.db2.gz FDCUZMBGWPQBAN-HNNXBMFYSA-N -1 0 345.395 3.595 20 0 EHADRM COc1cccc2c(C(=O)Nc3cc(F)c(C(=O)[O-])c(F)c3)coc21 ZINC001599689686 991047758 /nfs/dbraw/zinc/04/77/58/991047758.db2.gz QVXGLVCOFJNXFO-UHFFFAOYSA-N -1 0 347.273 3.670 20 0 EHADRM CC(C)[C@@H](C)N(c1ccccc1)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001590974506 991111529 /nfs/dbraw/zinc/11/15/29/991111529.db2.gz PRBLJEUJGJTNOC-CQSZACIVSA-N -1 0 347.436 3.625 20 0 EHADRM CC(C)[C@@H](CC(=O)N[C@H](CC(=O)[O-])C1CCCC1)c1ccccc1 ZINC001590976071 991121420 /nfs/dbraw/zinc/12/14/20/991121420.db2.gz KWSOAUVYJKMPBT-QZTJIDSGSA-N -1 0 331.456 3.966 20 0 EHADRM CC(C)[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1N)c1ccccc1 ZINC001590976736 991126940 /nfs/dbraw/zinc/12/69/40/991126940.db2.gz WRUFGIMINMEIGN-OAHLLOKOSA-N -1 0 326.396 3.735 20 0 EHADRM CC(C)[C@H](CCc1ccccc1)C(=O)OCc1ccc(C(=O)[O-])o1 ZINC001590980552 991133029 /nfs/dbraw/zinc/13/30/29/991133029.db2.gz HNOCJUFGEYJSJC-INIZCTEOSA-N -1 0 330.380 3.926 20 0 EHADRM COc1ccccc1-c1ncc(CNc2cccc(C(=O)[O-])c2C)cn1 ZINC001599695411 991142496 /nfs/dbraw/zinc/14/24/96/991142496.db2.gz UDBUOYORHLBGSM-UHFFFAOYSA-N -1 0 349.390 3.771 20 0 EHADRM CC(C)[C@@H](CNC(=O)Cc1cccc(C(=O)[O-])c1)Cc1ccccc1 ZINC001590983327 991160556 /nfs/dbraw/zinc/16/05/56/991160556.db2.gz IOPNPPDZURIIQH-LJQANCHMSA-N -1 0 339.435 3.558 20 0 EHADRM COc1ccccc1[C@@H](CNc1ccc(C(=O)[O-])c(C)n1)OC(C)C ZINC001599697866 991175202 /nfs/dbraw/zinc/17/52/02/991175202.db2.gz HXZKKDMEYYRYLT-QGZVFWFLSA-N -1 0 344.411 3.675 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)c1ccc(C(F)F)cc1 ZINC001598300665 991246998 /nfs/dbraw/zinc/24/69/98/991246998.db2.gz WCXRDMVCYYKCKK-UHFFFAOYSA-N -1 0 334.322 3.641 20 0 EHADRM CC(C)[C@H](NC(=O)[C@H](c1ccccc1)c1ccc(Cl)cc1)C(=O)[O-] ZINC001590998011 991250935 /nfs/dbraw/zinc/25/09/35/991250935.db2.gz XVNUUTNLSRQJFF-SJORKVTESA-N -1 0 345.826 3.697 20 0 EHADRM CN(C)c1cc(NC(=O)CCc2ccccc2C(=O)[O-])ccc1Cl ZINC001598307113 991267503 /nfs/dbraw/zinc/26/75/03/991267503.db2.gz DBOXUMOJNAHFBI-UHFFFAOYSA-N -1 0 346.814 3.676 20 0 EHADRM CN(C)c1ccc(C(=O)O[C@H]2CCCc3cc(C(=O)[O-])ccc32)cc1 ZINC001598313217 991287554 /nfs/dbraw/zinc/28/75/54/991287554.db2.gz FSGVOBTYGBPVBT-SFHVURJKSA-N -1 0 339.391 3.685 20 0 EHADRM COc1ccccc1NC(=O)[C@H](C)SCc1cccc(C(=O)[O-])c1 ZINC001599715409 991445656 /nfs/dbraw/zinc/44/56/56/991445656.db2.gz NOTFHSHBMSHSTI-LBPRGKRZSA-N -1 0 345.420 3.654 20 0 EHADRM CC(C)[C@H](c1ccccc1)N(C)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001591052126 991456674 /nfs/dbraw/zinc/45/66/74/991456674.db2.gz MILUVTAAIHFREY-MRXNPFEDSA-N -1 0 327.384 3.641 20 0 EHADRM CC(C)[C@@H](SCc1ccccc1)C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001591052764 991461885 /nfs/dbraw/zinc/46/18/85/991461885.db2.gz WAUPVKHVZPMMSI-QGPMSJSTSA-N -1 0 349.496 3.514 20 0 EHADRM COc1ccccc1SCC(=O)c1c[nH]c2ccc(C(=O)[O-])cc21 ZINC001599718093 991490612 /nfs/dbraw/zinc/49/06/12/991490612.db2.gz GYXREGIDWBJTEK-UHFFFAOYSA-N -1 0 341.388 3.850 20 0 EHADRM COc1ccccc1SCc1nnc(-c2ccc(C(=O)[O-])s2)o1 ZINC001599718546 991498116 /nfs/dbraw/zinc/49/81/16/991498116.db2.gz HTFKWBBUJXXQFE-UHFFFAOYSA-N -1 0 348.405 3.797 20 0 EHADRM CC(C)C1(C)CCN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC001591061494 991500511 /nfs/dbraw/zinc/50/05/11/991500511.db2.gz JCXHRJIIDYYJQL-UHFFFAOYSA-N -1 0 340.370 3.953 20 0 EHADRM CC(C)[C@@H]1C[C@H](CC(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)CCO1 ZINC001591071690 991531520 /nfs/dbraw/zinc/53/15/20/991531520.db2.gz FZSZTRSOCBJTBI-PBHICJAKSA-N -1 0 348.439 3.796 20 0 EHADRM CC(C)[C@@H]1CCCCCN1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC001591087940 991615957 /nfs/dbraw/zinc/61/59/57/991615957.db2.gz CCSIDEKVCGHPOS-ZDUSSCGKSA-N -1 0 339.461 3.593 20 0 EHADRM COc1nsc(CNc2ccc(C[C@H](C)C(=O)[O-])cc2)c1Cl ZINC001599741354 991861817 /nfs/dbraw/zinc/86/18/17/991861817.db2.gz FTEWXWJJWPVXCQ-VIFPVBQESA-N -1 0 340.832 3.680 20 0 EHADRM CC(C)CC(CC(C)C)C(=O)N(CCC(=O)[O-])Cc1ccncc1 ZINC001591142458 991864786 /nfs/dbraw/zinc/86/47/86/991864786.db2.gz CJWQZDHIOHOCPM-UHFFFAOYSA-N -1 0 334.460 3.593 20 0 EHADRM CC(C)CC(CC(C)C)NC(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001591142650 991866234 /nfs/dbraw/zinc/86/62/34/991866234.db2.gz HQIMAYCMPGJWEE-UHFFFAOYSA-N -1 0 326.481 3.782 20 0 EHADRM CC(C)CC(CC(C)C)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001591143474 991870772 /nfs/dbraw/zinc/87/07/72/991870772.db2.gz TZIBEYJYVHDWPX-QGZVFWFLSA-N -1 0 337.435 3.646 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1ccccc1-c1nccs1)C(=O)[O-] ZINC001591150481 991890960 /nfs/dbraw/zinc/89/09/60/991890960.db2.gz BUTCUSYHZYUYIX-LBPRGKRZSA-N -1 0 347.440 3.679 20 0 EHADRM CC(C)CCC1CCN(C(=O)NCc2ccccc2CC(=O)[O-])CC1 ZINC001591228655 992105977 /nfs/dbraw/zinc/10/59/77/992105977.db2.gz UMEQXDOGYVEPIB-UHFFFAOYSA-N -1 0 346.471 3.672 20 0 EHADRM CC(C)CCC[C@H](C)NC(=O)CSCc1ccccc1C(=O)[O-] ZINC001591229860 992114496 /nfs/dbraw/zinc/11/44/96/992114496.db2.gz XQQUPGDRBDYIEL-AWEZNQCLSA-N -1 0 337.485 3.949 20 0 EHADRM CC(C)CCO[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC001591251536 992148625 /nfs/dbraw/zinc/14/86/25/992148625.db2.gz LHYLAMVANJGKCI-KBXCAEBGSA-N -1 0 343.423 3.533 20 0 EHADRM CC(C)CN(C(=O)[C@H](C)CC(=O)[O-])[C@@H](C)c1ccccc1Cl ZINC001591281585 992216689 /nfs/dbraw/zinc/21/66/89/992216689.db2.gz UIICPMYDHJFUKH-OLZOCXBDSA-N -1 0 325.836 3.996 20 0 EHADRM CC(C)CN(C(=O)c1cnc(CC(C)(C)C)s1)C(C)(C)C(=O)[O-] ZINC001591284584 992219499 /nfs/dbraw/zinc/21/94/99/992219499.db2.gz ATJKFQIOUANBNM-UHFFFAOYSA-N -1 0 340.489 3.693 20 0 EHADRM Cc1ccc(Cc2n[n-]c(=NC(=O)N3C[C@H](C)CC[C@H]3C)s2)cc1 ZINC000510139469 1015705635 /nfs/dbraw/zinc/70/56/35/1015705635.db2.gz JWWRQLAPGGUKTP-ZIAGYGMSSA-N -1 0 344.484 3.512 20 0 EHADRM CC(C)COc1cccc(NC(=O)NCc2ccc(C(=O)[O-])s2)c1 ZINC001591401837 992478142 /nfs/dbraw/zinc/47/81/42/992478142.db2.gz CSQFYZVOQKOGJR-UHFFFAOYSA-N -1 0 348.424 3.803 20 0 EHADRM CN(Cc1cc2ccccc2o1)C(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001598508935 992542155 /nfs/dbraw/zinc/54/21/55/992542155.db2.gz MVXJTYMGBLZJIZ-UWJYYQICSA-N -1 0 349.386 3.650 20 0 EHADRM CC(C)Cc1ccc(CC(=O)N[C@@]2(C(=O)[O-])CCCC(C)(C)C2)cc1 ZINC001591483403 992603191 /nfs/dbraw/zinc/60/31/91/992603191.db2.gz DEDGDXLXBKJJMO-NRFANRHFSA-N -1 0 345.483 3.967 20 0 EHADRM CC(C)Cc1ccc(CN2CCc3c(F)ccc(C(=O)[O-])c3C2)cn1 ZINC001591483533 992604232 /nfs/dbraw/zinc/60/42/32/992604232.db2.gz JJEARGMFIPVEJS-UHFFFAOYSA-N -1 0 342.414 3.676 20 0 EHADRM CC(C)Cc1ccc(C(=O)Nc2cc(C(=O)[O-])cnc2Cl)s1 ZINC001591483816 992605966 /nfs/dbraw/zinc/60/59/66/992605966.db2.gz ILHWVCJMBJKMLD-UHFFFAOYSA-N -1 0 338.816 3.946 20 0 EHADRM CN(Cc1c(Cl)oc2ccccc21)Cc1ccc(C(=O)[O-])cn1 ZINC001598515042 992607825 /nfs/dbraw/zinc/60/78/25/992607825.db2.gz BRRRDNFFYVMGPJ-UHFFFAOYSA-N -1 0 330.771 3.811 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)NC[C@@H](CC2CC2)C(=O)[O-])c1 ZINC001591488223 992614877 /nfs/dbraw/zinc/61/48/77/992614877.db2.gz BSSZTLOKLYPBHX-KBXCAEBGSA-N -1 0 331.456 3.606 20 0 EHADRM CN(Cc1cccc(C(=O)[O-])n1)Cc1c(Cl)cccc1Cl ZINC001598527658 992741156 /nfs/dbraw/zinc/74/11/56/992741156.db2.gz PYGQRHOCKMDHOH-UHFFFAOYSA-N -1 0 325.195 3.719 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)[C@@H]1CC[C@H]1c1ccc(Cl)cc1F ZINC001591575643 992787718 /nfs/dbraw/zinc/78/77/18/992787718.db2.gz LFGMMMYGLXJKHD-GXTWGEPZSA-N -1 0 341.810 3.684 20 0 EHADRM CN(Cc1ccco1)C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001598532204 992795362 /nfs/dbraw/zinc/79/53/62/992795362.db2.gz WSTHQQVOTVXGMH-UHFFFAOYSA-N -1 0 330.365 3.856 20 0 EHADRM CN(Cc1cncs1)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598533900 992825802 /nfs/dbraw/zinc/82/58/02/992825802.db2.gz JSLFTLKBHSJLSE-GFCCVEGCSA-N -1 0 331.224 3.708 20 0 EHADRM CN(Cc1ccsc1)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001598534519 992834895 /nfs/dbraw/zinc/83/48/95/992834895.db2.gz XVYXAKMKYXRJMC-UHFFFAOYSA-N -1 0 342.779 3.903 20 0 EHADRM CN(Cc1nc(C(F)(F)F)cs1)Cc1cc(C(=O)[O-])ccc1F ZINC001598537031 992852341 /nfs/dbraw/zinc/85/23/41/992852341.db2.gz KBONYVVELJRYOW-UHFFFAOYSA-N -1 0 348.321 3.631 20 0 EHADRM COc1ccc(NC(=O)/C=C\c2cc(C)c(C)cc2C)c(C(=O)[O-])c1 ZINC001599589832 993664044 /nfs/dbraw/zinc/66/40/44/993664044.db2.gz JXHOCOPHBXOEGB-YVMONPNESA-N -1 0 339.391 3.971 20 0 EHADRM COc1ccc(NCc2cc(C(=O)[O-])c3n2CCCC3)cc1Cl ZINC001599596931 993760332 /nfs/dbraw/zinc/76/03/32/993760332.db2.gz FEBLRFALYVKNPU-UHFFFAOYSA-N -1 0 334.803 3.797 20 0 EHADRM COc1ccc(OC(C)C)c(N[C@@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC001599600551 993809604 /nfs/dbraw/zinc/80/96/04/993809604.db2.gz KFEXQQMJYIWNGQ-JTQLQIEISA-N -1 0 336.413 3.810 20 0 EHADRM COc1ccc([C@H](C)NC(=O)Nc2cc(C)cc(C(=O)[O-])c2)cc1C ZINC001599621544 994090280 /nfs/dbraw/zinc/09/02/80/994090280.db2.gz WZXFHSGCCPDKGH-ZDUSSCGKSA-N -1 0 342.395 3.893 20 0 EHADRM C[C@H](NC(=O)c1csc2ccccc12)c1ncc(C(=O)[O-])s1 ZINC001593190412 994121017 /nfs/dbraw/zinc/12/10/17/994121017.db2.gz ZSMYQCHGVRPFGT-QMMMGPOBSA-N -1 0 332.406 3.547 20 0 EHADRM C[C@H](N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)c1cscn1 ZINC001593190500 994122171 /nfs/dbraw/zinc/12/21/71/994122171.db2.gz PDRDYPHUEPGXLA-QPUJVOFHSA-N -1 0 330.331 3.638 20 0 EHADRM COc1ccc2c(c1)C(C)(C)C[C@@H]2N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001599624401 994128312 /nfs/dbraw/zinc/12/83/12/994128312.db2.gz CVPXXGLIEFSSMP-YGRLFVJLSA-N -1 0 346.452 3.923 20 0 EHADRM COc1ccc2c(c1)[C@H](C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1)CCC2 ZINC001599625124 994137483 /nfs/dbraw/zinc/13/74/83/994137483.db2.gz LFRBGHDOEQHHBS-BXUZGUMPSA-N -1 0 344.363 3.711 20 0 EHADRM COc1ccc2c(c1)[C@H](C(=O)Nc1ccc(F)cc1C(=O)[O-])CCC2 ZINC001599625699 994145246 /nfs/dbraw/zinc/14/52/46/994145246.db2.gz QXXJLHCPTJUONL-CQSZACIVSA-N -1 0 343.354 3.591 20 0 EHADRM COc1ccc2c(c1)CCC[C@@H]2CC(=O)Nc1ccc(C(=O)[O-])s1 ZINC001599628366 994181055 /nfs/dbraw/zinc/18/10/55/994181055.db2.gz JZZWAOOVWOBIIQ-GFCCVEGCSA-N -1 0 345.420 3.904 20 0 EHADRM COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1sccc1C(=O)[O-] ZINC001599628418 994182114 /nfs/dbraw/zinc/18/21/14/994182114.db2.gz LFDCPQQUAIEHGL-LBPRGKRZSA-N -1 0 345.420 3.904 20 0 EHADRM COc1cccc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)c1C ZINC001599640645 994353307 /nfs/dbraw/zinc/35/33/07/994353307.db2.gz GONWYFLENGKUEK-IBGZPJMESA-N -1 0 349.386 3.713 20 0 EHADRM C[C@@H](N[C@H]1CCc2cc(F)c(F)c(F)c21)c1cncc(C(=O)[O-])c1 ZINC001593233666 994393393 /nfs/dbraw/zinc/39/33/93/994393393.db2.gz RVHZMWBHTJVFLK-OQPBUACISA-N -1 0 336.313 3.535 20 0 EHADRM COc1cccc(C(=O)OCc2c(Cl)cccc2C(=O)[O-])c1F ZINC001599645436 994418597 /nfs/dbraw/zinc/41/85/97/994418597.db2.gz AEKYKXONTGOUQU-UHFFFAOYSA-N -1 0 338.718 3.543 20 0 EHADRM C[C@H](NCC(F)(F)c1cc(F)cc(F)c1)c1ncc(C(=O)[O-])s1 ZINC001593249082 994474747 /nfs/dbraw/zinc/47/47/47/994474747.db2.gz WDMJVGHCPZLBAV-ZETCQYMHSA-N -1 0 348.321 3.562 20 0 EHADRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)C[C@H]2CCCC[C@@H]2C)c1 ZINC001599652477 994526261 /nfs/dbraw/zinc/52/62/61/994526261.db2.gz NLAILODKBHKHGH-MDOVXXIYSA-N -1 0 347.455 3.718 20 0 EHADRM COc1cccc(/C(C)=C/C(=O)O[C@@H](C)c2cc(C(=O)[O-])co2)c1 ZINC001599654310 994554280 /nfs/dbraw/zinc/55/42/80/994554280.db2.gz KQWJOZWQNSDOID-VNKGSWCUSA-N -1 0 330.336 3.694 20 0 EHADRM COc1cccc([C@H](C)C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)c1 ZINC001599654501 994556318 /nfs/dbraw/zinc/55/63/18/994556318.db2.gz OZKQZKSQLPJNLV-NSHDSACASA-N -1 0 338.363 3.617 20 0 EHADRM COc1cccc([C@H](C)CC(=O)N[C@@]2(C(=O)[O-])CCCC(C)(C)C2)c1 ZINC001599655039 994564688 /nfs/dbraw/zinc/56/46/88/994564688.db2.gz IBNHQGSNRFJAOS-VLIAUNLRSA-N -1 0 347.455 3.729 20 0 EHADRM COc1cccc([C@@H](C)N[C@@H](C(=O)[O-])c2c(F)cccc2Cl)c1 ZINC001599656565 994590852 /nfs/dbraw/zinc/59/08/52/994590852.db2.gz GGIFADKIPKLEHZ-QLJPJBMISA-N -1 0 337.778 3.964 20 0 EHADRM COc1cccc(C(F)F)c1C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC001599656665 994591683 /nfs/dbraw/zinc/59/16/83/994591683.db2.gz IXMIFOHZENTUFD-UHFFFAOYSA-N -1 0 335.306 3.892 20 0 EHADRM COc1cccc([C@@H](OC(=O)c2scc(C)c2Cl)C(=O)[O-])c1 ZINC001599662165 994671896 /nfs/dbraw/zinc/67/18/96/994671896.db2.gz WDTMPQFDOBUUTK-GFCCVEGCSA-N -1 0 340.784 3.701 20 0 EHADRM C[C@@H](NCc1cc(F)c(Cl)cc1F)c1ncc(C(=O)[O-])s1 ZINC001593293767 994687077 /nfs/dbraw/zinc/68/70/77/994687077.db2.gz YALQYVXMPJDRJS-ZCFIWIBFSA-N -1 0 332.759 3.624 20 0 EHADRM C[C@@H](NCc1nc(C(=O)[O-])cs1)c1ccc(-c2ccncc2)cc1 ZINC001593312609 994804348 /nfs/dbraw/zinc/80/43/48/994804348.db2.gz XWOLWFZYIHWHGQ-GFCCVEGCSA-N -1 0 339.420 3.754 20 0 EHADRM COc1cccc(CCCOc2cc(/C=C/C(=O)[O-])ccc2OC)c1 ZINC001599671691 994824291 /nfs/dbraw/zinc/82/42/91/994824291.db2.gz HOIZYKNQMPTDLL-PKNBQFBNSA-N -1 0 342.391 3.813 20 0 EHADRM CNc1ccc(Cl)c(C(=O)N[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)c1 ZINC001598679125 994897007 /nfs/dbraw/zinc/89/70/07/994897007.db2.gz CBUIRMRJVZKMJN-MRXNPFEDSA-N -1 0 346.814 3.554 20 0 EHADRM CC(C)[C@H](CNC(=O)N(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000275072890 1015900646 /nfs/dbraw/zinc/90/06/46/1015900646.db2.gz WZCJQAKDZINNAA-KRWDZBQOSA-N -1 0 326.396 3.891 20 0 EHADRM COc1cccc(Cl)c1NC(=O)NCCCCCCC(=O)[O-] ZINC001599677876 994928399 /nfs/dbraw/zinc/92/83/99/994928399.db2.gz YQIVIQKJRHAGPD-UHFFFAOYSA-N -1 0 328.796 3.505 20 0 EHADRM CC(C)c1ccc(N[C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC001593363506 995036606 /nfs/dbraw/zinc/03/66/06/995036606.db2.gz RILGIHDSMYUEHK-CQSZACIVSA-N -1 0 340.423 3.625 20 0 EHADRM C[C@@H](Nc1ccc(CCC(=O)[O-])cc1)[C@@H]1COc2ccccc2C1 ZINC001593363529 995037636 /nfs/dbraw/zinc/03/76/36/995037636.db2.gz SFSCYXPFZITLOO-PBHICJAKSA-N -1 0 325.408 3.756 20 0 EHADRM C[C@H](Nc1cnc(C(=O)[O-])cn1)c1ccc(Oc2cccnc2)cc1 ZINC001593367320 995058127 /nfs/dbraw/zinc/05/81/27/995058127.db2.gz MQCYOVRCFJYBHV-LBPRGKRZSA-N -1 0 336.351 3.535 20 0 EHADRM C[C@@H](Nc1ncnc2c(F)cccc12)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593373935 995070312 /nfs/dbraw/zinc/07/03/12/995070312.db2.gz LITKXOGCNOFKNA-DOMZBBRYSA-N -1 0 339.370 3.513 20 0 EHADRM COC(=O)[C@@H](SCCCc1ccccc1)c1cccc(C(=O)[O-])c1 ZINC001598713736 995379376 /nfs/dbraw/zinc/37/93/76/995379376.db2.gz XRWRBXHIDIHESC-KRWDZBQOSA-N -1 0 344.432 3.965 20 0 EHADRM C[C@@H](OC(=O)[C@@H](C)c1cn(C)c2ccccc12)c1ccc(C(=O)[O-])o1 ZINC001593484976 995445738 /nfs/dbraw/zinc/44/57/38/995445738.db2.gz NMDRQXVSYGOKRK-NWDGAFQWSA-N -1 0 341.363 3.877 20 0 EHADRM C[C@H](OC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)c1cc(C(=O)[O-])co1 ZINC001593499260 995490853 /nfs/dbraw/zinc/49/08/53/995490853.db2.gz JQFZBEZUPLXVBX-XXILOJSOSA-N -1 0 336.290 3.664 20 0 EHADRM C[C@H](OC(=O)C1CC(OCc2ccccc2)C1)c1cc(C(=O)[O-])co1 ZINC001593500123 995497326 /nfs/dbraw/zinc/49/73/26/995497326.db2.gz NLWYOFHPTUDRBD-YGONEPDPSA-N -1 0 344.363 3.577 20 0 EHADRM C[C@H](OC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)c1cc(C(=O)[O-])co1 ZINC001593500510 995498073 /nfs/dbraw/zinc/49/80/73/995498073.db2.gz NMSBOHYGVMVSAY-RLCGTCKNSA-N -1 0 336.290 3.664 20 0 EHADRM C[C@H](OC(=O)C1CCc2ccccc2CC1)c1cc(C(=O)[O-])co1 ZINC001593514373 995531749 /nfs/dbraw/zinc/53/17/49/995531749.db2.gz KCDKUSRNFSACIO-LBPRGKRZSA-N -1 0 328.364 3.777 20 0 EHADRM C[C@@H](OC(=O)CCC(C)(C)c1ccccc1)c1nc(C(=O)[O-])co1 ZINC001593515054 995536594 /nfs/dbraw/zinc/53/65/94/995536594.db2.gz MCZBQEMLSUJPFA-GFCCVEGCSA-N -1 0 331.368 3.735 20 0 EHADRM C[C@@H](OC(=O)CCc1nc2ccccc2s1)c1ccc(C(=O)[O-])o1 ZINC001593528186 995575581 /nfs/dbraw/zinc/57/55/81/995575581.db2.gz RNARHMPVEPLWQO-SNVBAGLBSA-N -1 0 345.376 3.825 20 0 EHADRM C[C@H](OC(=O)Cc1ccc2c(c1)CCCC2)c1cc(C(=O)[O-])co1 ZINC001593537356 995603433 /nfs/dbraw/zinc/60/34/33/995603433.db2.gz PRQGFRBERGQWCC-LBPRGKRZSA-N -1 0 328.364 3.704 20 0 EHADRM C[C@@H](OC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1ccc(C(=O)[O-])o1 ZINC001593547252 995622340 /nfs/dbraw/zinc/62/23/40/995622340.db2.gz LECURPBSXIYIIP-ZJUUUORDSA-N -1 0 338.743 3.703 20 0 EHADRM C[C@H](OC(=O)c1[nH]c2ccccc2c1CC(=O)[O-])c1cccc(F)c1 ZINC001593566882 995664398 /nfs/dbraw/zinc/66/43/98/995664398.db2.gz WOOZQHWFOGCEFM-NSHDSACASA-N -1 0 341.338 3.852 20 0 EHADRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])[nH]1)[C@H](C)c1nc2ccccc2s1 ZINC001593572769 995668777 /nfs/dbraw/zinc/66/87/77/995668777.db2.gz HPVAVDBYFRIKLU-VHSXEESVSA-N -1 0 344.392 3.672 20 0 EHADRM C[C@@H](OC(=O)c1ccc([C@@H]2CCCOC2)cc1)c1cc(C(=O)[O-])co1 ZINC001593578585 995687465 /nfs/dbraw/zinc/68/74/65/995687465.db2.gz DPKDYXOPHHQGJU-IUODEOHRSA-N -1 0 344.363 3.790 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001593602710 995765188 /nfs/dbraw/zinc/76/51/88/995765188.db2.gz IXSPTQRUJZFNKH-SNVBAGLBSA-N -1 0 341.354 3.729 20 0 EHADRM C[C@@H](Oc1ccccc1CNc1ccc(Cl)c(N(C)C)c1)C(=O)[O-] ZINC001593650577 996007671 /nfs/dbraw/zinc/00/76/71/996007671.db2.gz FQCXJCGIPYSICE-GFCCVEGCSA-N -1 0 348.830 3.870 20 0 EHADRM C[C@@H](SCCCC(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC001593656848 996029190 /nfs/dbraw/zinc/02/91/90/996029190.db2.gz SSYGRBBTEGTRJU-SECBINFHSA-N -1 0 331.231 3.618 20 0 EHADRM C[C@@H](SCC(=O)Nc1ccccc1Sc1ccccc1)C(=O)[O-] ZINC001593657117 996030368 /nfs/dbraw/zinc/03/03/68/996030368.db2.gz YYQJYRPFPCWJHM-GFCCVEGCSA-N -1 0 347.461 3.983 20 0 EHADRM C[C@H](SCc1cccc(C(=O)[O-])n1)c1nc(-c2ccccc2)no1 ZINC001593661930 996040645 /nfs/dbraw/zinc/04/06/45/996040645.db2.gz SQTBSOKPCBEFLI-NSHDSACASA-N -1 0 341.392 3.824 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)O[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593664023 996048214 /nfs/dbraw/zinc/04/82/14/996048214.db2.gz WQHFWQQVTIOWFG-WMLDXEAASA-N -1 0 344.432 3.547 20 0 EHADRM C[C@@H](Sc1ccc(F)cc1)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC001593667015 996055200 /nfs/dbraw/zinc/05/52/00/996055200.db2.gz INLOJSFJLNGKJT-GFCCVEGCSA-N -1 0 339.432 3.600 20 0 EHADRM C[C@H](Sc1ccc(F)cc1)C(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC001593667762 996059707 /nfs/dbraw/zinc/05/97/07/996059707.db2.gz TVCFXBWOFJWZPT-LBPRGKRZSA-N -1 0 339.432 3.552 20 0 EHADRM C[C@H](Sc1nc(C(=O)[O-])cs1)c1nnc(-c2ccccc2)o1 ZINC001593680384 996108733 /nfs/dbraw/zinc/10/87/33/996108733.db2.gz XUWNPCUPUYTAKK-QMMMGPOBSA-N -1 0 333.394 3.745 20 0 EHADRM C[C@@H](c1ccc(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])cc1)C(F)(F)F ZINC001593686415 996123233 /nfs/dbraw/zinc/12/32/33/996123233.db2.gz OOKZIYPELKGBRH-GDLCADMTSA-N -1 0 343.345 3.726 20 0 EHADRM C[C@@H](c1cc(F)ccc1F)N(C)Cc1cc(C(=O)[O-])c2n1CCCC2 ZINC001593686903 996125146 /nfs/dbraw/zinc/12/51/46/996125146.db2.gz NSJUILTZXZIVQB-LBPRGKRZSA-N -1 0 348.393 3.994 20 0 EHADRM C[C@H](c1ccc(Cl)cc1Cl)N(C)c1cc(C(=O)[O-])ncn1 ZINC001593694214 996148347 /nfs/dbraw/zinc/14/83/47/996148347.db2.gz UUOAGAKYBPLLPT-MRVPVSSYSA-N -1 0 326.183 3.679 20 0 EHADRM C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001593698041 996160629 /nfs/dbraw/zinc/16/06/29/996160629.db2.gz DCOSDJMACBPIHK-KGYLQXTDSA-N -1 0 343.345 3.726 20 0 EHADRM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001593698943 996167814 /nfs/dbraw/zinc/16/78/14/996167814.db2.gz PBACQFGENREQRW-DJYGCBNOSA-N -1 0 333.771 3.864 20 0 EHADRM C[C@@H](c1cccc(Cl)c1F)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001593699767 996172331 /nfs/dbraw/zinc/17/23/31/996172331.db2.gz YCBQFLCAJSDQSJ-SDBXPKJASA-N -1 0 339.716 3.879 20 0 EHADRM C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001593706253 996195449 /nfs/dbraw/zinc/19/54/49/996195449.db2.gz OPGDGXRSFSWDGN-SCLBCKFNSA-N -1 0 341.382 3.932 20 0 EHADRM C[C@@H](c1ccccc1)n1cc(NCc2ccc(C(=O)[O-])cc2F)cn1 ZINC001593714091 996227698 /nfs/dbraw/zinc/22/76/98/996227698.db2.gz SOTJOKWBPYAMPO-ZDUSSCGKSA-N -1 0 339.370 3.942 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001593714343 996230249 /nfs/dbraw/zinc/23/02/49/996230249.db2.gz WZUSDHXREBJFSS-HIJJYWJESA-N -1 0 333.771 3.864 20 0 EHADRM C[C@@H](c1ncc(C(=O)[O-])s1)N1CCC(Cc2cccc(F)c2)CC1 ZINC001593731761 996305236 /nfs/dbraw/zinc/30/52/36/996305236.db2.gz IXYYZEOXZIPXOF-LBPRGKRZSA-N -1 0 348.443 3.996 20 0 EHADRM C[C@H](c1noc(C23CCC(C(=O)[O-])(CC2)C3)n1)c1c(F)cccc1F ZINC001593740566 996357752 /nfs/dbraw/zinc/35/77/52/996357752.db2.gz SCNARPPZYOMYFX-DVEYYSSOSA-N -1 0 348.349 3.786 20 0 EHADRM CC(C)CCS(=O)(=O)[N-][C@H](c1c(F)cccc1F)C(F)(F)F ZINC000180759009 1016039050 /nfs/dbraw/zinc/03/90/50/1016039050.db2.gz REBCQHDKTHAHMX-GFCCVEGCSA-N -1 0 345.333 3.534 20 0 EHADRM CCCc1c(NC(=O)CCCCC(=O)[O-])cnn1-c1ccc(F)cc1 ZINC000655542752 1016044899 /nfs/dbraw/zinc/04/48/99/1016044899.db2.gz BKXQVXUUMDYZOF-UHFFFAOYSA-N -1 0 347.390 3.547 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCc1c(Cl)cccc1Cl ZINC000655544324 1016046895 /nfs/dbraw/zinc/04/68/95/1016046895.db2.gz NYQBPRNEGICFJG-QWRGUYRKSA-N -1 0 344.238 3.638 20 0 EHADRM CC1(C)C[C@H](NC(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CCO1 ZINC001593858898 996647458 /nfs/dbraw/zinc/64/74/58/996647458.db2.gz IKFGAOSIBDUIBB-GFCCVEGCSA-N -1 0 348.424 3.679 20 0 EHADRM CC1(C)C[C@H](O)c2c(OCc3ccc(F)cc3C(=O)[O-])cccc2O1 ZINC001593861895 996657366 /nfs/dbraw/zinc/65/73/66/996657366.db2.gz MPTHTJCJJBRLQI-AWEZNQCLSA-N -1 0 346.354 3.697 20 0 EHADRM CC1(C)C[C@H](c2ccccc2)CN1C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001593863540 996663434 /nfs/dbraw/zinc/66/34/34/996663434.db2.gz HXVCQBACESVWCC-AWEZNQCLSA-N -1 0 339.395 3.580 20 0 EHADRM CC1(C)C[C@@H](SCc2coc(-c3ccc(C(=O)[O-])cc3)n2)CO1 ZINC001593864299 996665656 /nfs/dbraw/zinc/66/56/56/996665656.db2.gz RHGFCQCVTRXLDX-CQSZACIVSA-N -1 0 333.409 3.841 20 0 EHADRM CC1(C)CC[C@H](C(=O)N[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)C1 ZINC001593870553 996680794 /nfs/dbraw/zinc/68/07/94/996680794.db2.gz GIAUGAQUNHJPOH-AAEUAGOBSA-N -1 0 343.345 3.774 20 0 EHADRM CC1(C)CCC(C)(C)c2cc(C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)ccc21 ZINC001593873821 996685122 /nfs/dbraw/zinc/68/51/22/996685122.db2.gz BZADWNYWWICYGD-HDJSIYSDSA-N -1 0 329.440 3.629 20 0 EHADRM CC1(C)CC[C@H](C(=O)N[C@H](CC(=O)[O-])C2CC2)[C@H](c2ccccc2)C1 ZINC001593874091 996687505 /nfs/dbraw/zinc/68/75/05/996687505.db2.gz FCCVGNALMARFQM-OKZBNKHCSA-N -1 0 343.467 3.966 20 0 EHADRM CC1(C)CC[C@@H](C(=O)NCCSCC(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001593875128 996693589 /nfs/dbraw/zinc/69/35/89/996693589.db2.gz YGENDIULDKCBEG-HZPDHXFCSA-N -1 0 349.496 3.531 20 0 EHADRM CC1(C)CC[C@@H](CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c2ccccc21 ZINC001593878186 996703075 /nfs/dbraw/zinc/70/30/75/996703075.db2.gz NHIWVMUJSVSFHX-BHYGNILZSA-N -1 0 343.467 3.849 20 0 EHADRM CC1(C)CC[C@H](NC(=O)NCCCCC(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001593882542 996714474 /nfs/dbraw/zinc/71/44/74/996714474.db2.gz XJORTISBWPJPNG-SJORKVTESA-N -1 0 346.471 3.903 20 0 EHADRM CC1(C)CCC[C@@](NC(=O)/C(F)=C\C2CCCCC2)(C(=O)[O-])C1 ZINC001593888000 996729575 /nfs/dbraw/zinc/72/95/75/996729575.db2.gz NSIORFVUDNBZMP-BJRSVTDJSA-N -1 0 325.424 3.960 20 0 EHADRM CC1(C)CCC[C@@](NC(=O)c2cccc(C(F)F)c2F)(C(=O)[O-])C1 ZINC001593892019 996739247 /nfs/dbraw/zinc/73/92/47/996739247.db2.gz IPBVMUXOCZUABY-KRWDZBQOSA-N -1 0 343.345 3.917 20 0 EHADRM COC(=O)Cc1cccc(N[C@@H]2CCC[C@H](CCCC(=O)[O-])C2)c1 ZINC001598873741 996750851 /nfs/dbraw/zinc/75/08/51/996750851.db2.gz WQXJEDFFEPPMQW-GDBMZVCRSA-N -1 0 333.428 3.628 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)NC[C@H]1CCCC1(C)C)c1ccccc1 ZINC001593903416 996773704 /nfs/dbraw/zinc/77/37/04/996773704.db2.gz SREVFJLEAZNQBD-HZPDHXFCSA-N -1 0 346.471 3.964 20 0 EHADRM CC1(C)CCCN(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)CC1 ZINC001593904076 996780182 /nfs/dbraw/zinc/78/01/82/996780182.db2.gz YOAVNWXDXUKLFA-UHFFFAOYSA-N -1 0 341.411 3.977 20 0 EHADRM CC1(C)CCCC[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001593905089 996785404 /nfs/dbraw/zinc/78/54/04/996785404.db2.gz OUUHLUCELPBLKQ-GVDBMIGSSA-N -1 0 329.440 3.530 20 0 EHADRM COc1ccc(C(=O)Nc2c(Cl)ccc(F)c2C(=O)[O-])c(F)c1 ZINC001599485809 996846729 /nfs/dbraw/zinc/84/67/29/996846729.db2.gz HVUIIFFBYUAJRA-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM CC1(C)CN(C(=O)CC2(CC(=O)[O-])CCCC2)c2cc(F)ccc21 ZINC001593928965 996882372 /nfs/dbraw/zinc/88/23/72/996882372.db2.gz ZPGZYMNYOPLFID-UHFFFAOYSA-N -1 0 333.403 3.875 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)CC[C@H]2CCc3ccccc32)c1 ZINC001599488269 996891305 /nfs/dbraw/zinc/89/13/05/996891305.db2.gz XDWBAHLWIVZJKD-CQSZACIVSA-N -1 0 339.391 3.842 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)[C@H]1c1ccco1 ZINC001593934883 996902488 /nfs/dbraw/zinc/90/24/88/996902488.db2.gz OOEQPOAZPSKLHQ-AWEZNQCLSA-N -1 0 332.331 3.732 20 0 EHADRM CC1(C)CN(C(=O)Nc2cccc(CCC(=O)[O-])c2)CC(C)(C)C1 ZINC001593934710 996902779 /nfs/dbraw/zinc/90/27/79/996902779.db2.gz HIWDDJHDKPBYFT-UHFFFAOYSA-N -1 0 332.444 3.994 20 0 EHADRM COCc1cc(NC(=O)[C@@]2(C)CCC(C)=C(C)C2)cc(C(=O)[O-])c1 ZINC001599284090 996943878 /nfs/dbraw/zinc/94/38/78/996943878.db2.gz OLHHPPNDNRKMBE-IBGZPJMESA-N -1 0 331.412 3.996 20 0 EHADRM COCc1cc(NC(=O)N2CCC[C@@H]2CCC(C)C)cc(C(=O)[O-])c1 ZINC001599284875 996957662 /nfs/dbraw/zinc/95/76/62/996957662.db2.gz IQXOWUVUGPTNRW-QGZVFWFLSA-N -1 0 348.443 3.964 20 0 EHADRM COCc1cc(NC(=O)N2CCC[C@@H]2CC(C)(C)C)cc(C(=O)[O-])c1 ZINC001599284991 996961008 /nfs/dbraw/zinc/96/10/08/996961008.db2.gz KNSXCCNEDXYVIG-MRXNPFEDSA-N -1 0 348.443 3.964 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)c2oc3ccc(F)cc3c2C)c1 ZINC001599492467 996963588 /nfs/dbraw/zinc/96/35/88/996963588.db2.gz PPWZDWGKUVXMNK-UHFFFAOYSA-N -1 0 344.294 3.806 20 0 EHADRM CC1(C)CO[C@H](CC(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)C1 ZINC001593952506 997021631 /nfs/dbraw/zinc/02/16/31/997021631.db2.gz BMCMVRUQYQRXQO-GFCCVEGCSA-N -1 0 333.409 3.743 20 0 EHADRM COc1ccc(C(=O)[O-])cc1CN(C)Cc1ccc(F)c(Cl)c1 ZINC001599499079 997077226 /nfs/dbraw/zinc/07/72/26/997077226.db2.gz QXVIRWDEXKFCAT-UHFFFAOYSA-N -1 0 337.778 3.818 20 0 EHADRM COCc1cccc(C(=O)N[C@H](C(=O)[O-])c2cccc3ccccc32)c1 ZINC001599295571 997133946 /nfs/dbraw/zinc/13/39/46/997133946.db2.gz VSXKZYKPNPYQIE-IBGZPJMESA-N -1 0 349.386 3.542 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC001599396388 997134206 /nfs/dbraw/zinc/13/42/06/997134206.db2.gz MTMPSDZUDREMKG-KNFPLBEISA-N -1 0 344.407 3.915 20 0 EHADRM COCc1cccc(NC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c1 ZINC001599297771 997176776 /nfs/dbraw/zinc/17/67/76/997176776.db2.gz SPYYWRBPUNRTRV-LBPRGKRZSA-N -1 0 328.368 3.665 20 0 EHADRM COc1cc(C=CC(=O)[O-])ccc1OCc1ccc(C(C)=O)cc1 ZINC001599399435 997187467 /nfs/dbraw/zinc/18/74/67/997187467.db2.gz LKJXJMYNYCTUGA-UXBLZVDNSA-N -1 0 326.348 3.575 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1ccc2ncccc2c1 ZINC001599400202 997200913 /nfs/dbraw/zinc/20/09/13/997200913.db2.gz RYTAPYMRAZUBOC-WEVVVXLNSA-N -1 0 349.342 3.560 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Oc2ccc(CC(=O)[O-])cc2F)cc1 ZINC001599506575 997220585 /nfs/dbraw/zinc/22/05/85/997220585.db2.gz ISHHWNQERHVYOV-GFCCVEGCSA-N -1 0 346.354 3.561 20 0 EHADRM CC1(C)[C@H](C(=O)N2CCc3c2cccc3C(=O)[O-])[C@H]1c1ccccc1 ZINC001593987101 997224470 /nfs/dbraw/zinc/22/44/70/997224470.db2.gz FSNPYKKNTJCHRE-MSOLQXFVSA-N -1 0 335.403 3.714 20 0 EHADRM COc1ccc([C@@H](C)N(C)C(=O)c2ccccc2CCC(=O)[O-])cc1 ZINC001599507409 997235092 /nfs/dbraw/zinc/23/50/92/997235092.db2.gz MOTHTTYAXGGBTD-CQSZACIVSA-N -1 0 341.407 3.546 20 0 EHADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C)cc2Cl)cc1 ZINC001599514463 997357789 /nfs/dbraw/zinc/35/77/89/997357789.db2.gz UUIGSHJMZVPDGA-MRXNPFEDSA-N -1 0 347.798 3.603 20 0 EHADRM CON(Cc1cc(C(=O)[O-])sc1C)[C@@H](C)c1csc(C)n1 ZINC001599319011 997548387 /nfs/dbraw/zinc/54/83/87/997548387.db2.gz PBFRWEYDRRMCCR-QMMMGPOBSA-N -1 0 326.443 3.644 20 0 EHADRM COc1cc(CNc2ccc(C(=O)[O-])cn2)ccc1OCCC(C)C ZINC001599419232 997564410 /nfs/dbraw/zinc/56/44/10/997564410.db2.gz ZEGCZVIXSODRTF-UHFFFAOYSA-N -1 0 344.411 3.825 20 0 EHADRM COc1cc(Cl)c(Cl)cc1NCc1cc(C(=O)[O-])c(C)n1C ZINC001599420204 997580156 /nfs/dbraw/zinc/58/01/56/997580156.db2.gz ZBVQJOJPMXQMHH-UHFFFAOYSA-N -1 0 343.210 3.959 20 0 EHADRM COc1cc(Cl)ccc1-c1noc([C@H]2CC[C@H](C(=O)[O-])CC2)n1 ZINC001599420561 997586992 /nfs/dbraw/zinc/58/69/92/997586992.db2.gz LLXWGGFTZYSAGH-MGCOHNPYSA-N -1 0 336.775 3.757 20 0 EHADRM CO[C@H]1CCC[C@H](CC(=O)Nc2cc(C(=O)[O-])ccc2Cl)C1 ZINC001599113161 997605572 /nfs/dbraw/zinc/60/55/72/997605572.db2.gz ROPFLXDKAKSCEO-JQWIXIFHSA-N -1 0 325.792 3.572 20 0 EHADRM COc1ccc([C@H](NCc2cc(C(=O)[O-])cs2)C(F)(F)F)cc1 ZINC001599530803 997647617 /nfs/dbraw/zinc/64/76/17/997647617.db2.gz GLKLMRNEUUYWAD-ZDUSSCGKSA-N -1 0 345.342 3.848 20 0 EHADRM C[C@]1(Cc2ccccc2F)CCCN1C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001594041289 997658318 /nfs/dbraw/zinc/65/83/18/997658318.db2.gz FDBSWFQAPCSKRG-BXTJHSDWSA-N -1 0 347.430 3.640 20 0 EHADRM C[C@]1(Cc2cccc3ccccc32)CCCN1c1nccc(C(=O)[O-])n1 ZINC001594041557 997663468 /nfs/dbraw/zinc/66/34/68/997663468.db2.gz NHXDCSCBBIWWAK-OAQYLSRUSA-N -1 0 347.418 3.930 20 0 EHADRM COc1ccc(C)cc1NC(=O)[C@@H](C)Sc1ccc(C(=O)[O-])cc1 ZINC001599535559 997738152 /nfs/dbraw/zinc/73/81/52/997738152.db2.gz ZHCRBBVEAHQIQD-GFCCVEGCSA-N -1 0 345.420 3.821 20 0 EHADRM COc1cc(NC(=O)N(C)[C@H](C)C2CCCCC2)ccc1C(=O)[O-] ZINC001599433522 997802749 /nfs/dbraw/zinc/80/27/49/997802749.db2.gz BFWFZKYSNKEJSP-GFCCVEGCSA-N -1 0 334.416 3.826 20 0 EHADRM COc1ccc([C@@H]2CCCN2c2ccc(C)c(C(=O)[O-])n2)cc1F ZINC001599539727 997814444 /nfs/dbraw/zinc/81/44/44/997814444.db2.gz QVBCRMIZJLBNRL-AWEZNQCLSA-N -1 0 330.359 3.577 20 0 EHADRM COc1cc(NC(=O)Cc2c(C)oc3ccccc32)ccc1C(=O)[O-] ZINC001599434823 997824840 /nfs/dbraw/zinc/82/48/40/997824840.db2.gz IWNNOBYINHHYFT-UHFFFAOYSA-N -1 0 339.347 3.629 20 0 EHADRM COC(=O)c1cc(COc2ccc(Cl)cc2F)cc(C(=O)[O-])c1 ZINC001598935064 997849032 /nfs/dbraw/zinc/84/90/32/997849032.db2.gz NNJRSNULDYCREX-UHFFFAOYSA-N -1 0 338.718 3.543 20 0 EHADRM COc1c(NC(=O)/C=C/c2ccc(Cl)cc2)cccc1C(=O)[O-] ZINC001599336966 997853746 /nfs/dbraw/zinc/85/37/46/997853746.db2.gz BMUIEFARHVIABG-JXMROGBWSA-N -1 0 331.755 3.699 20 0 EHADRM CO[C@H]1CCOc2c(NCc3ccc(C(=O)[O-])cc3F)cccc21 ZINC001599127372 997877219 /nfs/dbraw/zinc/87/72/19/997877219.db2.gz INRXOYNZJYJQOO-INIZCTEOSA-N -1 0 331.343 3.606 20 0 EHADRM COc1cc(NC(=O)NCC2(C)CCC(C)CC2)ccc1C(=O)[O-] ZINC001599437756 997877584 /nfs/dbraw/zinc/87/75/84/997877584.db2.gz KXUOEYWZZODUJK-UHFFFAOYSA-N -1 0 334.416 3.731 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)c1cccc(C(C)C)n1 ZINC001599545124 997910175 /nfs/dbraw/zinc/91/01/75/997910175.db2.gz KTWONDXWPLLQSZ-NTMALXAHSA-N -1 0 341.363 3.531 20 0 EHADRM COc1cc(NC(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc(OC)c1C ZINC001599441437 997934860 /nfs/dbraw/zinc/93/48/60/997934860.db2.gz UBLKFMGXRZRZHK-UHFFFAOYSA-N -1 0 344.367 3.663 20 0 EHADRM COc1c(NC(=O)NCC(C)(C)c2cccs2)cccc1C(=O)[O-] ZINC001599342662 997947739 /nfs/dbraw/zinc/94/77/39/997947739.db2.gz ZCYCXAXZDMVGSB-UHFFFAOYSA-N -1 0 348.424 3.554 20 0 EHADRM COc1c(NC[C@H](c2ccc(Cl)cc2)C(C)C)ncnc1C(=O)[O-] ZINC001599343390 997959254 /nfs/dbraw/zinc/95/92/54/997959254.db2.gz NJRRBJMQJYFYRR-ZDUSSCGKSA-N -1 0 349.818 3.689 20 0 EHADRM COc1cc(N[C@@H](C)c2ccccc2OCC(=O)[O-])ccc1Cl ZINC001599443699 997972887 /nfs/dbraw/zinc/97/28/87/997972887.db2.gz XVSNHJKDMNUTMR-NSHDSACASA-N -1 0 335.787 3.985 20 0 EHADRM CC1(c2ccccc2C(=O)Nc2nc(CCCC(=O)[O-])cs2)CC1 ZINC001594081773 997984946 /nfs/dbraw/zinc/98/49/46/997984946.db2.gz RTOQXQMMIIXILQ-UHFFFAOYSA-N -1 0 344.436 3.854 20 0 EHADRM CC1(c2ccccc2C(=O)Oc2ccc(CC(=O)[O-])cc2F)CC1 ZINC001594081753 997984973 /nfs/dbraw/zinc/98/49/73/997984973.db2.gz RCTMGJJFMQFMAH-UHFFFAOYSA-N -1 0 328.339 3.724 20 0 EHADRM COc1cc(NC(=S)Nc2cccc(C)c2C)ccc1C(=O)[O-] ZINC001599444642 997987915 /nfs/dbraw/zinc/98/79/15/997987915.db2.gz RFDXGLBNAFBWKF-UHFFFAOYSA-N -1 0 330.409 3.819 20 0 EHADRM COc1ccc(C[C@@H](C)N(C)C(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC001599550351 997996328 /nfs/dbraw/zinc/99/63/28/997996328.db2.gz BTMGHGNWCFRQKP-LLVKDONJSA-N -1 0 348.424 3.550 20 0 EHADRM COc1cc(OC(=O)[C@@]2(C)CCCc3ccccc32)ccc1C(=O)[O-] ZINC001599445340 997999283 /nfs/dbraw/zinc/99/92/83/997999283.db2.gz CXNALDBHIKFJDX-FQEVSTJZSA-N -1 0 340.375 3.593 20 0 EHADRM COc1cc(OC(=O)/C=C(/C)c2ccc(F)cc2)ccc1C(=O)[O-] ZINC001599445613 998004224 /nfs/dbraw/zinc/00/42/24/998004224.db2.gz JWDHTAXQBGHXLF-LUAWRHEFSA-N -1 0 330.311 3.541 20 0 EHADRM COc1cc(OC)c(NCc2ccc(C(=O)[O-])c(C)c2)cc1Cl ZINC001599448580 998052533 /nfs/dbraw/zinc/05/25/33/998052533.db2.gz AUWKWQBFMZOEKX-UHFFFAOYSA-N -1 0 335.787 3.976 20 0 EHADRM Cc1ccc([C@H]2NC(=O)N(Cc3ccccc3)C(C)=C2C(=O)[O-])cc1 ZINC001594097677 998072964 /nfs/dbraw/zinc/07/29/64/998072964.db2.gz FEXVYEQCELMHQY-GOSISDBHSA-N -1 0 336.391 3.620 20 0 EHADRM CO[C@@H]1Cc2ccc(N[C@@H](C(=O)[O-])c3c(F)cccc3Cl)cc2C1 ZINC001599137756 998073074 /nfs/dbraw/zinc/07/30/74/998073074.db2.gz CDVSCFBEDRGCCW-CXAGYDPISA-N -1 0 349.789 3.831 20 0 EHADRM COc1cc(OC)cc([C@H](Sc2ccc(Cl)cn2)C(=O)[O-])c1 ZINC001599451989 998118554 /nfs/dbraw/zinc/11/85/54/998118554.db2.gz UJWOFRCUVWYDEL-AWEZNQCLSA-N -1 0 339.800 3.670 20 0 EHADRM COc1cc(OC)cc([C@H](N[C@H](C)c2cc(C)sc2C)C(=O)[O-])c1 ZINC001599452410 998126707 /nfs/dbraw/zinc/12/67/07/998126707.db2.gz HHJIZAIHKDWYNA-DIFFPNOSSA-N -1 0 349.452 3.859 20 0 EHADRM COc1ccc(CN(C)Cc2ccc(/C=C/C(=O)[O-])o2)cc1Cl ZINC001599557918 998128274 /nfs/dbraw/zinc/12/82/74/998128274.db2.gz GNSWRDQGZVCAAX-SOFGYWHQSA-N -1 0 335.787 3.671 20 0 EHADRM CC1=C(C(=O)[O-])C[C@H](COc2ccc(Cl)cc2C(F)(F)F)O1 ZINC001594105263 998159315 /nfs/dbraw/zinc/15/93/15/998159315.db2.gz BFBLOQUVNJESLX-SECBINFHSA-N -1 0 336.693 3.885 20 0 EHADRM COC(=O)c1cc2cccc(NCc3ccc(C(=O)[O-])o3)c2s1 ZINC001598956201 998246225 /nfs/dbraw/zinc/24/62/25/998246225.db2.gz BTEWHBWHJWTCKR-UHFFFAOYSA-N -1 0 331.349 3.591 20 0 EHADRM COc1cc2ccccc2cc1C(=O)NCCc1ccccc1C(=O)[O-] ZINC001599466818 998375718 /nfs/dbraw/zinc/37/57/18/998375718.db2.gz SNZUPBXHZUERDR-UHFFFAOYSA-N -1 0 349.386 3.519 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N(C)[C@H](C)Cc1ccsc1 ZINC001599369753 998391177 /nfs/dbraw/zinc/39/11/77/998391177.db2.gz AIWKCZGLHIVZDW-LLVKDONJSA-N -1 0 348.424 3.550 20 0 EHADRM C[C@@H]1[C@H](C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)[C@H]1c1ccccc1 ZINC001594137899 998397441 /nfs/dbraw/zinc/39/74/41/998397441.db2.gz YVLMLXFHRQACBU-RZAIGCCYSA-N -1 0 346.386 3.921 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N1C[C@@H](C)[C@H]1c1ccccc1 ZINC001599371834 998422516 /nfs/dbraw/zinc/42/25/16/998422516.db2.gz YFDJZTLIWMDZSY-PXAZEXFGSA-N -1 0 340.379 3.618 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N1Cc2ccccc2[C@H]1C ZINC001599372179 998428690 /nfs/dbraw/zinc/42/86/90/998428690.db2.gz AWLILNPLQYGAPE-LLVKDONJSA-N -1 0 326.352 3.502 20 0 EHADRM COc1ccc(Cl)c(NC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c1 ZINC001599577161 998462820 /nfs/dbraw/zinc/46/28/20/998462820.db2.gz VJHJALDLGQCLBW-ACJLOTCBSA-N -1 0 345.782 3.546 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)NCc1c(C)cc(C)cc1C ZINC001599374477 998465633 /nfs/dbraw/zinc/46/56/33/998465633.db2.gz PYYGFUIYTSVOMB-UHFFFAOYSA-N -1 0 342.395 3.640 20 0 EHADRM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001598968394 998465833 /nfs/dbraw/zinc/46/58/33/998465833.db2.gz RIMMDOXTHCGMIN-JOCQHMNTSA-N -1 0 347.411 3.572 20 0 EHADRM COc1ccc(Cl)c(NCc2ccccc2O[C@H](C)C(=O)[O-])c1 ZINC001599577491 998469149 /nfs/dbraw/zinc/46/91/49/998469149.db2.gz WVZSIRWLMFPKOF-LLVKDONJSA-N -1 0 335.787 3.813 20 0 EHADRM COc1ccc(Cl)cc1C(C)(C)NCc1nc(C(=O)[O-])cs1 ZINC001599579627 998506071 /nfs/dbraw/zinc/50/60/71/998506071.db2.gz QDIBEXBXOBWITN-UHFFFAOYSA-N -1 0 340.832 3.528 20 0 EHADRM COc1ccc(F)c(CNc2cc(C(F)(F)F)c(C(=O)[O-])cn2)c1 ZINC001599581226 998533853 /nfs/dbraw/zinc/53/38/53/998533853.db2.gz GTTJELWAVYDFDW-UHFFFAOYSA-N -1 0 344.264 3.558 20 0 EHADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC001594157049 998574347 /nfs/dbraw/zinc/57/43/47/998574347.db2.gz QDAVLYFCLKDOQA-GUYCJALGSA-N -1 0 346.427 3.725 20 0 EHADRM C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1Cl ZINC001594195661 998758396 /nfs/dbraw/zinc/75/83/96/998758396.db2.gz ASBPDVIHKFAXMA-VXNVDRBHSA-N -1 0 344.194 3.635 20 0 EHADRM COC(=O)c1cccc([C@H](Nc2ccc3ccccc3c2)C(=O)[O-])c1 ZINC001598994166 998763793 /nfs/dbraw/zinc/76/37/93/998763793.db2.gz FJFANDQLRUPUSK-SFHVURJKSA-N -1 0 335.359 3.864 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1C(=O)c1cc2ccccc2c(Cl)n1 ZINC001594206030 998792913 /nfs/dbraw/zinc/79/29/13/998792913.db2.gz OBYZCWIZKWGMRG-PTEHBNRSSA-N -1 0 346.814 3.602 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1C(=O)c1ccc(Cl)c(Cl)c1 ZINC001594206991 998795917 /nfs/dbraw/zinc/79/59/17/998795917.db2.gz VDGQCENOJFVBQD-DOFRTFSJSA-N -1 0 330.211 3.707 20 0 EHADRM C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc(C(=O)[O-])s1 ZINC001594214581 998826968 /nfs/dbraw/zinc/82/69/68/998826968.db2.gz LRPFUFYUAIOEHT-HTQZYQBOSA-N -1 0 336.335 3.641 20 0 EHADRM C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC001594216642 998832749 /nfs/dbraw/zinc/83/27/49/998832749.db2.gz WQPXTWBKPJIMPN-IUCAKERBSA-N -1 0 348.296 3.719 20 0 EHADRM C[C@H]1CC(C)(C)N(C(=O)c2csc(C(=O)[O-])n2)c2ccccc21 ZINC001594216799 998834204 /nfs/dbraw/zinc/83/42/04/998834204.db2.gz IYIZGGGNUACKAZ-JTQLQIEISA-N -1 0 330.409 3.774 20 0 EHADRM C[C@@H]1CC(CNC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)C[C@@H](C)C1 ZINC001594222289 998856187 /nfs/dbraw/zinc/85/61/87/998856187.db2.gz COBSRQRHSXNANZ-RYUDHWBXSA-N -1 0 336.407 3.647 20 0 EHADRM O=C([O-])c1coc(C(=O)Nc2ccc(F)cc2OC2CCCC2)c1 ZINC000683339727 1016264130 /nfs/dbraw/zinc/26/41/30/1016264130.db2.gz XHKGVSWAWGEYLE-UHFFFAOYSA-N -1 0 333.315 3.691 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])C[C@H](c2ccccc2)C1 ZINC001594252307 998971332 /nfs/dbraw/zinc/97/13/32/998971332.db2.gz DVYMTJSUPWRZSB-USXIJHARSA-N -1 0 331.456 3.966 20 0 EHADRM C[C@@H]1CC(NC(=O)Nc2cccc3cc(C(=O)[O-])sc32)C[C@@H](C)O1 ZINC001594257573 998991606 /nfs/dbraw/zinc/99/16/06/998991606.db2.gz IFSAJHCKRHFKJW-NXEZZACHSA-N -1 0 348.424 3.677 20 0 EHADRM C[C@@H]1C[C@H](NC(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)CCS1 ZINC001594258466 998995993 /nfs/dbraw/zinc/99/59/93/998995993.db2.gz UNGJCEYCZFFEIC-HTQZYQBOSA-N -1 0 346.811 3.583 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC(=O)c2ccc(C(=O)[O-])o2)C1 ZINC001594260037 999001006 /nfs/dbraw/zinc/00/10/06/999001006.db2.gz LIKCHYOUNOZNAD-CFVMTHIKSA-N -1 0 327.380 3.680 20 0 EHADRM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccsc1CC(=O)[O-] ZINC001594266036 999031424 /nfs/dbraw/zinc/03/14/24/999031424.db2.gz LNPHBWHXBRSQHX-AAEUAGOBSA-N -1 0 347.411 3.533 20 0 EHADRM CO[C@H](C(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21)C1CCCCC1 ZINC001599029043 999037337 /nfs/dbraw/zinc/03/73/37/999037337.db2.gz IDUROMPCENSHER-ROUUACIJSA-N -1 0 346.423 3.901 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001594270738 999046920 /nfs/dbraw/zinc/04/69/20/999046920.db2.gz ZUNJMJLBMIEHMO-XJKCOSOUSA-N -1 0 339.395 3.578 20 0 EHADRM C[C@H]1CC=C(C(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)CC1 ZINC001594293188 999131076 /nfs/dbraw/zinc/13/10/76/999131076.db2.gz QVMDDRPXMWDJHF-AWEZNQCLSA-N -1 0 342.439 3.534 20 0 EHADRM C[C@H](NC(=O)C1(C)CCC(C)CC1)c1ccc(OCC(=O)[O-])cc1 ZINC001594295629 999137986 /nfs/dbraw/zinc/13/79/86/999137986.db2.gz FNCSDGNMRHHESW-BIWSTMPVSA-N -1 0 333.428 3.544 20 0 EHADRM C[C@@H]1CC[C@@](NC(=O)/C=C\C2CCCC2)(C(=O)[O-])c2ccccc21 ZINC001594312895 999202118 /nfs/dbraw/zinc/20/21/18/999202118.db2.gz FFQOBKRMTQFGGR-BSGQAMDWSA-N -1 0 327.424 3.726 20 0 EHADRM C[C@H]1CC[C@](NC(=O)[C@@H]2C[C@H]2c2ccccc2)(C(=O)[O-])c2ccccc21 ZINC001594313110 999203480 /nfs/dbraw/zinc/20/34/80/999203480.db2.gz JHPYZNYFWSUFAC-SVJMLJPDSA-N -1 0 349.430 3.784 20 0 EHADRM CC1CCC(OCC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)CC1 ZINC001594329723 999266816 /nfs/dbraw/zinc/26/68/16/999266816.db2.gz CDIYQLARRNQOGM-UHFFFAOYSA-N -1 0 343.782 3.711 20 0 EHADRM C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C1 ZINC001594330898 999272382 /nfs/dbraw/zinc/27/23/82/999272382.db2.gz ZXCBUJYYXODSOM-BZZMCLGOSA-N -1 0 329.440 3.877 20 0 EHADRM Cc1ccc(C(=O)NC2CCC(C(=O)[O-])CC2)c(Cl)c1Cl ZINC001594346394 999312566 /nfs/dbraw/zinc/31/25/66/999312566.db2.gz QKCYXSGWPQKJQC-UHFFFAOYSA-N -1 0 330.211 3.675 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N[C@H]1CCC[C@H](C)C1 ZINC001594352880 999336769 /nfs/dbraw/zinc/33/67/69/999336769.db2.gz TXVWTEDNNMAPEJ-JSGCOSHPSA-N -1 0 334.416 3.872 20 0 EHADRM C[C@@H]1CCC[C@H]1CC(=O)Oc1ccc(Br)cc1C(=O)[O-] ZINC001594360444 999362669 /nfs/dbraw/zinc/36/26/69/999362669.db2.gz VBDCCWMLZMISQM-ZJUUUORDSA-N -1 0 341.201 3.879 20 0 EHADRM C[C@H]1CCCC[C@H]1C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC001594363922 999374348 /nfs/dbraw/zinc/37/43/48/999374348.db2.gz OQSLBBIIMACVNP-GXSJLCMTSA-N -1 0 333.413 3.601 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CCNC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001594364244 999376227 /nfs/dbraw/zinc/37/62/27/999376227.db2.gz XBLVVWCVEMBUEU-UOSKARGWSA-N -1 0 329.440 3.578 20 0 EHADRM C[C@@H]1CCCCCN1C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001594372530 999407421 /nfs/dbraw/zinc/40/74/21/999407421.db2.gz ZSEHIOWIEWGJHI-GFCCVEGCSA-N -1 0 327.384 3.729 20 0 EHADRM C[C@H]1CCCN(C(=O)CSc2cc3ccccc3cc2C(=O)[O-])C1 ZINC001594379235 999430004 /nfs/dbraw/zinc/43/00/04/999430004.db2.gz VYXYIIHEQDVITD-ZDUSSCGKSA-N -1 0 343.448 3.889 20 0 EHADRM C[C@@H]1CCN(C(=O)CSc2ccc3ccccc3c2)[C@H](C(=O)[O-])C1 ZINC001594401109 999501600 /nfs/dbraw/zinc/50/16/00/999501600.db2.gz SRSMQVJHJXRULL-DYVFJYSZSA-N -1 0 343.448 3.644 20 0 EHADRM C[C@H]1CCc2nc(CN(CCC(=O)[O-])Cc3ccccc3)sc2C1 ZINC001594451164 999649917 /nfs/dbraw/zinc/64/99/17/999649917.db2.gz VOJDBSSDIFDWRC-AWEZNQCLSA-N -1 0 344.480 3.745 20 0 EHADRM C[C@H]1CN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC[C@@H]1c1ccccc1 ZINC001594462583 999675224 /nfs/dbraw/zinc/67/52/24/999675224.db2.gz LYTKLUQQNLELIO-RDJZCZTQSA-N -1 0 341.451 3.674 20 0 EHADRM C[C@H]1CN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC[C@H]1c1ccccc1 ZINC001594462581 999675277 /nfs/dbraw/zinc/67/52/77/999675277.db2.gz LYTKLUQQNLELIO-DOTOQJQBSA-N -1 0 341.451 3.674 20 0 EHADRM CCOC(=O)c1c2c(sc1Nc1ncccc1F)C(=O)CCC2 ZINC001209805650 1016533037 /nfs/dbraw/zinc/53/30/37/1016533037.db2.gz NRLOHHDYJHBHCT-UHFFFAOYSA-N -1 0 334.372 3.722 20 0 EHADRM C[C@@](CC(=O)NCC1CCC(C)(C)CC1)(C(=O)[O-])c1ccccc1 ZINC000326692350 1016562496 /nfs/dbraw/zinc/56/24/96/1016562496.db2.gz UGROKPYTFOOKOR-FQEVSTJZSA-N -1 0 331.456 3.752 20 0 EHADRM Cc1cnn(-c2ccccc2)c1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000084505123 1016586277 /nfs/dbraw/zinc/58/62/77/1016586277.db2.gz IAOREDIXBRWFQX-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM CC(C)C[C@H](CNC(=O)NCc1ccc(C(F)F)cc1)CC(=O)[O-] ZINC000659403270 1016656929 /nfs/dbraw/zinc/65/69/29/1016656929.db2.gz IOTGJDCTESQKGE-ZDUSSCGKSA-N -1 0 342.386 3.560 20 0 EHADRM CCC1(C(=O)NCc2ccc(C(=O)[O-])cc2)CCC(F)(F)CC1 ZINC000659115841 1016725785 /nfs/dbraw/zinc/72/57/85/1016725785.db2.gz JFJNQOLWYPLWQR-UHFFFAOYSA-N -1 0 325.355 3.607 20 0 EHADRM CC[C@H](NC(=O)c1c(C)ccc(C)c1C(=O)[O-])c1ccccc1OC ZINC000327871656 1016762393 /nfs/dbraw/zinc/76/23/93/1016762393.db2.gz MPJGPSUJAIOJDK-HNNXBMFYSA-N -1 0 341.407 3.891 20 0 EHADRM O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)c1cc(F)c([O-])c(F)c1 ZINC000180193338 1016892188 /nfs/dbraw/zinc/89/21/88/1016892188.db2.gz RJKCYFZKEIJSFL-UHFFFAOYSA-N -1 0 339.248 3.737 20 0 EHADRM O=C(Nc1ccc2nc(C3CC3)oc2c1)c1cc(F)c([O-])c(F)c1 ZINC000180133893 1016893614 /nfs/dbraw/zinc/89/36/14/1016893614.db2.gz HJSAXRLNHYWMLX-UHFFFAOYSA-N -1 0 330.290 3.941 20 0 EHADRM CC/C=C(\C)C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000311665777 1016900727 /nfs/dbraw/zinc/90/07/27/1016900727.db2.gz XLGFVLHTERDNJP-VMPITWQZSA-N -1 0 326.190 3.751 20 0 EHADRM Cc1cc(C)n(-c2cccc(NC(=O)c3ccc(O)cc3F)c2)n1 ZINC000181130333 1016910582 /nfs/dbraw/zinc/91/05/82/1016910582.db2.gz JCRXMBPHRWBTGN-UHFFFAOYSA-N -1 0 325.343 3.586 20 0 EHADRM O=C(c1ccc2ccccc2c1O)N1CCO[C@H](Cc2ccccc2)C1 ZINC000181172698 1016911032 /nfs/dbraw/zinc/91/10/32/1016911032.db2.gz XINSUCLHFFJOAO-GOSISDBHSA-N -1 0 347.414 3.629 20 0 EHADRM COc1cc2cc(C(=O)Nc3cccc(Cl)c3[O-])[nH]c2cc1OC ZINC000340316085 1016930280 /nfs/dbraw/zinc/93/02/80/1016930280.db2.gz MXMXKTKFOFHBST-UHFFFAOYSA-N -1 0 346.770 3.796 20 0 EHADRM O=C(CCOCC1CC1)Nc1cc(Cl)cc(Br)c1[O-] ZINC000340334934 1016958835 /nfs/dbraw/zinc/95/88/35/1016958835.db2.gz RRUHKPPGEXHGFN-UHFFFAOYSA-N -1 0 348.624 3.563 20 0 EHADRM C[C@@H]1CN(C(=O)N=c2[n-]nc(-c3ccccc3)s2)[C@H]2CCCC[C@H]12 ZINC000547826909 1016958454 /nfs/dbraw/zinc/95/84/54/1016958454.db2.gz AJFYMOVUCPMZKR-YUELXQCFSA-N -1 0 342.468 3.669 20 0 EHADRM CCc1ccc(C(C)(C)C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000655584102 1016970415 /nfs/dbraw/zinc/97/04/15/1016970415.db2.gz FYRKVNNJESMDAN-XOKHGSTOSA-N -1 0 345.483 3.778 20 0 EHADRM C[C@H](NC(=O)CCc1ccccc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655583789 1016974190 /nfs/dbraw/zinc/97/41/90/1016974190.db2.gz QNAAYVVGWKORKV-FPMFFAJLSA-N -1 0 337.847 3.524 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)Cc2ccc(C3CCCCC3)cc2)C1 ZINC000659761711 1016984212 /nfs/dbraw/zinc/98/42/12/1016984212.db2.gz DXAXEPMDLBUCGI-QGZVFWFLSA-N -1 0 343.467 3.990 20 0 EHADRM CC(C)C[C@H](NC(=O)NCCCCCC(=O)[O-])c1cccs1 ZINC000414608532 1017009110 /nfs/dbraw/zinc/00/91/10/1017009110.db2.gz IAGDRYZJNKZJSN-ZDUSSCGKSA-N -1 0 326.462 3.780 20 0 EHADRM C[C@@H](NC(=O)C1(c2ccccc2)CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655586249 1017014006 /nfs/dbraw/zinc/01/40/06/1017014006.db2.gz OLANZWXSDSHIOT-HYVNUMGLSA-N -1 0 343.467 3.750 20 0 EHADRM C[C@@H](NC(=O)N(C)CCCC(=O)[O-])c1cc(Cl)ccc1Cl ZINC000414609822 1017015792 /nfs/dbraw/zinc/01/57/92/1017015792.db2.gz JWVBLZJSUOXJES-SECBINFHSA-N -1 0 333.215 3.561 20 0 EHADRM O=C([O-])Cc1cccc(Nc2c(Br)ccnc2Cl)c1 ZINC001210072611 1017042553 /nfs/dbraw/zinc/04/25/53/1017042553.db2.gz QNTLRZFOGRWFMP-UHFFFAOYSA-N -1 0 341.592 3.868 20 0 EHADRM C[C@H](CNC(=O)N(C)CCCC(=O)[O-])c1c(Cl)cccc1Cl ZINC000414615607 1017046020 /nfs/dbraw/zinc/04/60/20/1017046020.db2.gz PPELGIVFUFEAHS-SNVBAGLBSA-N -1 0 347.242 3.603 20 0 EHADRM C[C@H](CC(=O)N(CC(=O)[O-])C1CCC1)c1ccccc1C(F)(F)F ZINC000655590821 1017075677 /nfs/dbraw/zinc/07/56/77/1017075677.db2.gz QERSNRYIZJZTOE-LLVKDONJSA-N -1 0 343.345 3.665 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)c2occc2-c2ccccc2)cc1 ZINC000392246846 1032265004 /nfs/dbraw/zinc/26/50/04/1032265004.db2.gz QRBVXPIBEJHAGC-UHFFFAOYSA-N -1 0 335.359 3.617 20 0 EHADRM CCCN(C(=O)Nc1ccc(-c2cc(=O)[nH]c(C)n2)cc1)C1CC1 ZINC000538282128 1032269447 /nfs/dbraw/zinc/26/94/47/1032269447.db2.gz IGPYLSPOPASZNX-UHFFFAOYSA-N -1 0 326.400 3.564 20 0 EHADRM CSc1ccc(NC(=O)C2C[C@H]3CC[C@@H](C2)S3)cc1C(=O)[O-] ZINC000905043356 1032323600 /nfs/dbraw/zinc/32/36/00/1032323600.db2.gz DKWNXBZEZFAAIC-CLYYMRHHSA-N -1 0 337.466 3.719 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N[C@@H](C2CCCCC2)C(F)(F)F)C1 ZINC000905124931 1032346795 /nfs/dbraw/zinc/34/67/95/1032346795.db2.gz XKKCUJRRIMIJRE-AGIUHOORSA-N -1 0 335.366 3.505 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC000905119450 1032350707 /nfs/dbraw/zinc/35/07/07/1032350707.db2.gz ZKHJHVOAJUEBFK-NEPJUHHUSA-N -1 0 339.819 3.957 20 0 EHADRM Cc1csc(Nc2cccc(NC(=O)[C@@H]3CCC[C@H]3C(=O)[O-])c2)n1 ZINC000905132027 1032358560 /nfs/dbraw/zinc/35/85/60/1032358560.db2.gz WMXXPCIHLATWLA-ZIAGYGMSSA-N -1 0 345.424 3.635 20 0 EHADRM Cc1ccc([C@H](CNC(=O)c2ccccc2C(C)(C)C)C(=O)[O-])cc1 ZINC000538471109 1032392986 /nfs/dbraw/zinc/39/29/86/1032392986.db2.gz BYVVKOHCXKDQGF-KRWDZBQOSA-N -1 0 339.435 3.891 20 0 EHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)CCc1ccc2ccccc2c1 ZINC000262994887 1032407613 /nfs/dbraw/zinc/40/76/13/1032407613.db2.gz OKRFYOVNVXMRFM-HXUWFJFHSA-N -1 0 327.424 3.778 20 0 EHADRM O=C([O-])CC1(NC(=O)CCc2ccc3ccccc3c2)CCCC1 ZINC000263027953 1032411710 /nfs/dbraw/zinc/41/17/10/1032411710.db2.gz YOIRTOZCAUBOBD-UHFFFAOYSA-N -1 0 325.408 3.676 20 0 EHADRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000536901693 1032416065 /nfs/dbraw/zinc/41/60/65/1032416065.db2.gz VMRMHZHPUARYLW-UHFFFAOYSA-N -1 0 325.455 3.873 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1 ZINC000263039397 1032417942 /nfs/dbraw/zinc/41/79/42/1032417942.db2.gz CFCDJXFTVLAIDC-CABCVRRESA-N -1 0 348.443 3.686 20 0 EHADRM CCC[C@H](CNC(=O)C(C)(C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000263076217 1032431011 /nfs/dbraw/zinc/43/10/11/1032431011.db2.gz CMOPYUYDKMYGMK-LLVKDONJSA-N -1 0 345.361 3.600 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000263085980 1032433606 /nfs/dbraw/zinc/43/36/06/1032433606.db2.gz DFMKPBWHZXKWOQ-CJNGLKHVSA-N -1 0 349.858 3.765 20 0 EHADRM C[C@@H](NC(=O)CC1CCCCCC1)c1ccc(OCC(=O)[O-])cc1 ZINC000263085032 1032433946 /nfs/dbraw/zinc/43/39/46/1032433946.db2.gz PZCFNPRONUFNFU-CQSZACIVSA-N -1 0 333.428 3.688 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2cccc3ccc(C)nc32)cc1 ZINC000084919935 1032467809 /nfs/dbraw/zinc/46/78/09/1032467809.db2.gz TWGPKSSUHGWJLA-UHFFFAOYSA-N -1 0 340.404 3.547 20 0 EHADRM Cc1ccc2cccc(S(=O)(=O)[N-]c3ccc4[nH]ccc4c3)c2n1 ZINC000084920131 1032467976 /nfs/dbraw/zinc/46/79/76/1032467976.db2.gz RITIYIGCFKGAQX-UHFFFAOYSA-N -1 0 337.404 3.825 20 0 EHADRM CN(Cc1cccc(O)c1Cl)[C@@H](CO)c1ccc(Cl)cc1 ZINC000449451398 1032568453 /nfs/dbraw/zinc/56/84/53/1032568453.db2.gz IMDZLAVSLZTHKY-AWEZNQCLSA-N -1 0 326.223 3.864 20 0 EHADRM CSCCc1ccccc1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000602012452 1032580542 /nfs/dbraw/zinc/58/05/42/1032580542.db2.gz UQXQDOUEFWWPNM-UHFFFAOYSA-N -1 0 335.469 3.956 20 0 EHADRM CC(C)[C@H](NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000601990381 1032583267 /nfs/dbraw/zinc/58/32/67/1032583267.db2.gz ZBXBFMANTQRBLJ-SUNKGSAMSA-N -1 0 343.876 3.748 20 0 EHADRM CC(C)c1cc(Cl)ccc1NC(=O)[C@H](C)S[C@H](C)C(=O)[O-] ZINC000601995085 1032586607 /nfs/dbraw/zinc/58/66/07/1032586607.db2.gz QXAXDEHNECSGGL-VHSXEESVSA-N -1 0 329.849 3.997 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C)C(=O)[O-] ZINC000601995860 1032587497 /nfs/dbraw/zinc/58/74/97/1032587497.db2.gz OXCPBHAWRYDXJU-MJVIPROJSA-N -1 0 341.448 3.624 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)N1CCC[C@@H]1c1ccccc1Cl)C(=O)[O-] ZINC000602002217 1032589198 /nfs/dbraw/zinc/58/91/98/1032589198.db2.gz OWMCYFQKYXLDRL-COPLHBTASA-N -1 0 341.860 3.598 20 0 EHADRM Cc1ccc(CN(C)C(=O)c2cccc(Br)c2[O-])s1 ZINC000592868524 1032599847 /nfs/dbraw/zinc/59/98/47/1032599847.db2.gz KQIJXEKFQULWAT-UHFFFAOYSA-N -1 0 340.242 3.797 20 0 EHADRM O=C(N=c1nc(-c2ccsc2)[n-]s1)N1CCC[C@@H]1C1CCCC1 ZINC000460124355 1032600644 /nfs/dbraw/zinc/60/06/44/1032600644.db2.gz QBCHBFORWXEDNA-CYBMUJFWSA-N -1 0 348.497 3.875 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)sc1C ZINC000091019215 1032617831 /nfs/dbraw/zinc/61/78/31/1032617831.db2.gz SGUMCPIFVOXJOW-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM COc1ccc(N(C(=O)c2ncc(C)cc2[O-])[C@H](C)C2CC2)cc1 ZINC000460198492 1032663688 /nfs/dbraw/zinc/66/36/88/1032663688.db2.gz OOFKEBJIGXWUIX-CYBMUJFWSA-N -1 0 326.396 3.550 20 0 EHADRM Cc1cc(F)ccc1C(=O)/C=C/c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000066746447 1017182473 /nfs/dbraw/zinc/18/24/73/1017182473.db2.gz BYIAVCXIHSCBHC-YSKGHYERSA-N -1 0 328.339 3.882 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c(C)c1 ZINC000547881402 1017183436 /nfs/dbraw/zinc/18/34/36/1017183436.db2.gz CNBUHNKTAYFLJC-UHFFFAOYSA-N -1 0 347.436 3.728 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)N[C@H](C)CCCCC(=O)[O-])cc1 ZINC000547888978 1017197114 /nfs/dbraw/zinc/19/71/14/1017197114.db2.gz NPEYFKDWVCJUIA-ZIAGYGMSSA-N -1 0 341.473 3.512 20 0 EHADRM CCn1ccnc1[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1O ZINC000377208178 1017447628 /nfs/dbraw/zinc/44/76/28/1017447628.db2.gz QONPFVRVPGYBQJ-CQSZACIVSA-N -1 0 333.819 3.629 20 0 EHADRM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1nc(C(C)(C)C)cs1 ZINC000038442584 1017481828 /nfs/dbraw/zinc/48/18/28/1017481828.db2.gz BPTHAAUNEWLQSY-UHFFFAOYSA-N -1 0 344.889 3.625 20 0 EHADRM CC(C)CC1(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000756217756 1017590969 /nfs/dbraw/zinc/59/09/69/1017590969.db2.gz YBBCOURBEJNBRA-UHFFFAOYSA-N -1 0 343.876 3.751 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)c1 ZINC000238226622 1017645475 /nfs/dbraw/zinc/64/54/75/1017645475.db2.gz GLAUFTRJNFPBEJ-UHFFFAOYSA-N -1 0 342.738 3.946 20 0 EHADRM CCc1ncc(Br)cc1Nc1cccc(C(=O)[O-])c1F ZINC001210239367 1017658859 /nfs/dbraw/zinc/65/88/59/1017658859.db2.gz ABPQGOUQECDJOU-UHFFFAOYSA-N -1 0 339.164 3.987 20 0 EHADRM Cc1cc(Nc2cccc(C(=O)[O-])c2F)cnc1Br ZINC001210239607 1017661450 /nfs/dbraw/zinc/66/14/50/1017661450.db2.gz NKUOAQZYOVMEKV-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM Cc1ccc(CN=c2[n-]nc(C(F)F)s2)c(OC(C)(C)C)c1 ZINC000574093264 1032717560 /nfs/dbraw/zinc/71/75/60/1032717560.db2.gz LLVCQIJSYGJBMO-UHFFFAOYSA-N -1 0 327.400 3.995 20 0 EHADRM CCCN(C(=O)c1ccc(C(=O)[O-])s1)[C@@H]1CCc2ccccc2C1 ZINC000236746947 1017753711 /nfs/dbraw/zinc/75/37/11/1017753711.db2.gz SLWWPTMLGUAPHH-OAHLLOKOSA-N -1 0 343.448 3.856 20 0 EHADRM Cc1cc(Nc2ccc(F)nc2Br)ccc1C(=O)[O-] ZINC001211649834 1017873552 /nfs/dbraw/zinc/87/35/52/1017873552.db2.gz AYRDDEDWVYOYIZ-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM CCC[C@H](C)[C@H]1CCCN1C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655902872 1017884195 /nfs/dbraw/zinc/88/41/95/1017884195.db2.gz VNHKBTPLLNUDCS-ZVDSWSACSA-N -1 0 338.492 3.732 20 0 EHADRM COc1ccc(-c2nnsc2Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC001211649884 1017884350 /nfs/dbraw/zinc/88/43/50/1017884350.db2.gz DKBKMAIJOKTVFP-UHFFFAOYSA-N -1 0 341.392 3.964 20 0 EHADRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000683650166 1017888303 /nfs/dbraw/zinc/88/83/03/1017888303.db2.gz GVVVXQBJHJFONS-UHFFFAOYSA-N -1 0 349.433 3.964 20 0 EHADRM C[C@H](C1CC1)n1cc([N-]S(=O)(=O)c2cccc3ccccc32)cn1 ZINC000187718792 1017986479 /nfs/dbraw/zinc/98/64/79/1017986479.db2.gz JIEWWRPGUHVKEU-CYBMUJFWSA-N -1 0 341.436 3.808 20 0 EHADRM CCCC[C@@H](NC(=O)c1ccc(OCc2ccccc2)cc1)C(=O)[O-] ZINC000075243259 1018002704 /nfs/dbraw/zinc/00/27/04/1018002704.db2.gz SNPMOXODXZOAME-GOSISDBHSA-N -1 0 341.407 3.639 20 0 EHADRM O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)c1c([O-])cc(F)cc1F ZINC000606534416 1032741501 /nfs/dbraw/zinc/74/15/01/1032741501.db2.gz NIXBMMQGPTXIIV-CZUORRHYSA-N -1 0 331.362 3.812 20 0 EHADRM Cc1cc(C)cc(N(C)C(=O)c2nn(-c3ccccc3F)cc2[O-])c1 ZINC000468608001 1018084370 /nfs/dbraw/zinc/08/43/70/1018084370.db2.gz LOIOFBRVFSDNBO-UHFFFAOYSA-N -1 0 339.370 3.610 20 0 EHADRM Cc1ccc2c(c1)CN(C(=O)c1cccc(Br)c1[O-])C2 ZINC000574220821 1032744811 /nfs/dbraw/zinc/74/48/11/1032744811.db2.gz OVIYHVCRUUZACH-UHFFFAOYSA-N -1 0 332.197 3.619 20 0 EHADRM Cc1cc(CC(C)(C)C(=O)[O-])ccc1-c1ccc(S(C)(=O)=O)cc1 ZINC000574173322 1032750573 /nfs/dbraw/zinc/75/05/73/1032750573.db2.gz HQOWRWRTZVLTFF-UHFFFAOYSA-N -1 0 346.448 3.719 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1c[nH]c(=O)c2ccccc12 ZINC000526057404 1018266941 /nfs/dbraw/zinc/26/69/41/1018266941.db2.gz IEKITNYTLQCSJL-UHFFFAOYSA-N -1 0 332.718 3.691 20 0 EHADRM CCN(C(=O)N=c1[n-]nc(C(C)(C)c2ccccc2)s1)C1CCC1 ZINC000606573097 1032754107 /nfs/dbraw/zinc/75/41/07/1032754107.db2.gz LXNAWBSYJLLDNA-UHFFFAOYSA-N -1 0 344.484 3.692 20 0 EHADRM CCCCc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)n[nH]1 ZINC000471498323 1018320267 /nfs/dbraw/zinc/32/02/67/1018320267.db2.gz ALBMFXYTSQHBRY-UHFFFAOYSA-N -1 0 347.362 3.572 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CC(C)(C)CC(F)F ZINC000893078818 1018377112 /nfs/dbraw/zinc/37/71/12/1018377112.db2.gz NMCYPNUOKXEPPA-ZDUSSCGKSA-N -1 0 347.427 3.655 20 0 EHADRM CCCCc1cc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)n[nH]1 ZINC000471521354 1018501365 /nfs/dbraw/zinc/50/13/65/1018501365.db2.gz JDXVOJPORNANIF-UHFFFAOYSA-N -1 0 327.837 3.515 20 0 EHADRM O=C([O-])CN(Cc1cnc(-c2ccc(Cl)cc2)s1)C1CCC1 ZINC000656101878 1018528495 /nfs/dbraw/zinc/52/84/95/1018528495.db2.gz XBVWNCHXGIOLSV-UHFFFAOYSA-N -1 0 336.844 3.903 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000659139627 1018545318 /nfs/dbraw/zinc/54/53/18/1018545318.db2.gz FSFHAQSGOZLUFU-MLGOLLRUSA-N -1 0 345.420 3.605 20 0 EHADRM Cc1ccc2nc(/C=C(/CC(=O)[O-])c3nc4ccccc4o3)cn2c1 ZINC000340590845 1018594617 /nfs/dbraw/zinc/59/46/17/1018594617.db2.gz YVKBMEGVZOAZPJ-JYRVWZFOSA-N -1 0 333.347 3.799 20 0 EHADRM C[C@H](NC(=O)C(C)(C)C(=O)[O-])c1cccc(OCc2ccccc2)c1 ZINC000630300097 1018735723 /nfs/dbraw/zinc/73/57/23/1018735723.db2.gz YTYUPERSFKNVHH-AWEZNQCLSA-N -1 0 341.407 3.554 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CC[C@@](F)(c2ccccc2)C1 ZINC000580217678 1018800181 /nfs/dbraw/zinc/80/01/81/1018800181.db2.gz WKPMKAWUYMIMAR-KRWDZBQOSA-N -1 0 337.753 3.896 20 0 EHADRM CCCc1cnc([N-]S(=O)(=O)c2c(C)n(C)c3ccccc32)s1 ZINC000340635529 1019036692 /nfs/dbraw/zinc/03/66/92/1019036692.db2.gz NTNKXSQLCFUVJX-UHFFFAOYSA-N -1 0 349.481 3.697 20 0 EHADRM CC1CCC(CC(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)CC1 ZINC000576465502 1019056368 /nfs/dbraw/zinc/05/63/68/1019056368.db2.gz GRLBNEPYFXENOB-UQVLAFNGSA-N -1 0 329.440 3.530 20 0 EHADRM Cc1nc(C)c(CN[C@@]2(C(=O)[O-])C[C@H](C(C)C)c3ccccc32)s1 ZINC000340672453 1019147236 /nfs/dbraw/zinc/14/72/36/1019147236.db2.gz AECGKDUPJZLQJN-BEFAXECRSA-N -1 0 344.480 3.973 20 0 EHADRM C[C@@H]1CN(Cc2ccc(C(=O)[O-])c(Cl)c2)CC2(CCCCC2)O1 ZINC000656192123 1019171264 /nfs/dbraw/zinc/17/12/64/1019171264.db2.gz MFNRIYJSJSSBAH-CYBMUJFWSA-N -1 0 337.847 3.962 20 0 EHADRM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc3ccn(C)c32)cc1 ZINC000471565945 1019182461 /nfs/dbraw/zinc/18/24/61/1019182461.db2.gz LEWXDUTZGBSFQW-UHFFFAOYSA-N -1 0 344.436 3.766 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000565638691 1019208972 /nfs/dbraw/zinc/20/89/72/1019208972.db2.gz DNJQURYYOXCJIC-LLVKDONJSA-N -1 0 341.860 3.779 20 0 EHADRM COc1c(Nc2cncc(Br)c2C)cccc1C(=O)[O-] ZINC001211033146 1019252683 /nfs/dbraw/zinc/25/26/83/1019252683.db2.gz LAILOFROYDUBFE-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM CCc1sc(C(=O)N[C@H](C)c2nc(C)c(C(=O)[O-])s2)cc1C ZINC000237104453 1019329131 /nfs/dbraw/zinc/32/91/31/1019329131.db2.gz JPKYDBUHOFIBJK-SECBINFHSA-N -1 0 338.454 3.573 20 0 EHADRM C[C@H](OCCCNC(=O)CC1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000580434361 1019363477 /nfs/dbraw/zinc/36/34/77/1019363477.db2.gz ITJBDRIETHJRHT-HJOIGYKYSA-N -1 0 347.455 3.552 20 0 EHADRM Cc1oc([C@@H](C)N2CCO[C@H](c3ccccc3C)C2)cc1C(=O)[O-] ZINC000515659984 1032823582 /nfs/dbraw/zinc/82/35/82/1032823582.db2.gz HRCJWLVRSSLJAJ-ACJLOTCBSA-N -1 0 329.396 3.729 20 0 EHADRM Cc1oc([C@H](C)N2CCO[C@H](c3ccccc3C)C2)cc1C(=O)[O-] ZINC000515659987 1032824264 /nfs/dbraw/zinc/82/42/64/1032824264.db2.gz HRCJWLVRSSLJAJ-UGSOOPFHSA-N -1 0 329.396 3.729 20 0 EHADRM O=C([O-])C1(CC(=O)NCCCc2c(Cl)cccc2Cl)CCC1 ZINC000656246088 1019571169 /nfs/dbraw/zinc/57/11/69/1019571169.db2.gz AXVXVBADOBBVDU-UHFFFAOYSA-N -1 0 344.238 3.687 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1OC(F)F ZINC000513382492 1019610919 /nfs/dbraw/zinc/61/09/19/1019610919.db2.gz FKPSFYPUBKRVSU-UHFFFAOYSA-N -1 0 349.305 3.675 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)[C@@]2(C)CC=CCC2)s1 ZINC000408490753 1019632997 /nfs/dbraw/zinc/63/29/97/1019632997.db2.gz CSZOCTAUXYJWFH-INIZCTEOSA-N -1 0 341.498 3.597 20 0 EHADRM C[C@H]1CN(C(=O)c2cccc(Oc3ccccc3)c2)CC[C@@H]1C(=O)[O-] ZINC000262891800 1019760858 /nfs/dbraw/zinc/76/08/58/1019760858.db2.gz HMNXDHVXVPHAOZ-KSSFIOAISA-N -1 0 339.391 3.662 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC000262968420 1019779939 /nfs/dbraw/zinc/77/99/39/1019779939.db2.gz OMTGVIRFMQPSBB-LBPRGKRZSA-N -1 0 343.379 3.534 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000263040070 1019797120 /nfs/dbraw/zinc/79/71/20/1019797120.db2.gz RKOZYEUIQMNULO-BBRMVZONSA-N -1 0 345.361 3.728 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)CCCC1CCOCC1 ZINC000263055298 1019802670 /nfs/dbraw/zinc/80/26/70/1019802670.db2.gz FXAUJCOEGCIFSZ-UHFFFAOYSA-N -1 0 349.427 3.707 20 0 EHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(SC(F)F)cc1 ZINC000263082876 1019812084 /nfs/dbraw/zinc/81/20/84/1019812084.db2.gz UZJHXPUVLAWPIG-OAHLLOKOSA-N -1 0 331.384 3.621 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)CCCCC(=O)[O-] ZINC000263255975 1019851802 /nfs/dbraw/zinc/85/18/02/1019851802.db2.gz FOYXENCBHKLQKA-STQMWFEESA-N -1 0 325.836 3.935 20 0 EHADRM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)CCCCC(=O)[O-] ZINC000263255970 1019852671 /nfs/dbraw/zinc/85/26/71/1019852671.db2.gz FOYXENCBHKLQKA-CHWSQXEVSA-N -1 0 325.836 3.935 20 0 EHADRM Cc1cc(NS(=O)(=O)c2ccc(OC3CCCC3)cc2)cc[nH+]1 ZINC000074932198 1019886481 /nfs/dbraw/zinc/88/64/81/1019886481.db2.gz YMICJAOHELVKIK-UHFFFAOYSA-N -1 0 332.425 3.512 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2cccc(F)c2Cl)C1 ZINC000926118972 1019942250 /nfs/dbraw/zinc/94/22/50/1019942250.db2.gz RFBVXFHUFHEYDE-OAHLLOKOSA-N -1 0 328.771 3.588 20 0 EHADRM C[C@@H]1C(=O)CC[C@@H](C(=O)Nc2cc(F)cc(Cl)c2[O-])C1(C)C ZINC000275947525 1019961967 /nfs/dbraw/zinc/96/19/67/1019961967.db2.gz KBEPHHAJUJWUCF-SCZZXKLOSA-N -1 0 327.783 3.765 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)c1 ZINC000055637987 1020059854 /nfs/dbraw/zinc/05/98/54/1020059854.db2.gz SSPSESQRHZPSJQ-UHFFFAOYSA-N -1 0 349.305 3.675 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)Nc2cccc(C(F)F)c2Cl)C1 ZINC000580823108 1020080372 /nfs/dbraw/zinc/08/03/72/1020080372.db2.gz DZTYNBAMQRUGGL-VIFPVBQESA-N -1 0 346.761 3.996 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2c[nH]c(C(C)C)n2)c(Cl)c1C ZINC000647134911 1020138626 /nfs/dbraw/zinc/13/86/26/1020138626.db2.gz OSABEDIHHMTYKM-UHFFFAOYSA-N -1 0 327.837 3.604 20 0 EHADRM Cc1cccc([C@@H](C)CNC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000580871144 1020164127 /nfs/dbraw/zinc/16/41/27/1020164127.db2.gz KITFLZSOZFUQFV-YJBOKZPZSA-N -1 0 340.423 3.566 20 0 EHADRM CCCN(C(=O)N[C@@H](CC)c1ccc(F)cc1F)[C@@H](CC)C(=O)[O-] ZINC000580989924 1020339458 /nfs/dbraw/zinc/33/94/58/1020339458.db2.gz MXGGPTFQLRJKRN-GJZGRUSLSA-N -1 0 342.386 3.701 20 0 EHADRM Cn1ncc(C(=O)Nc2cc(Cl)c([O-])cc2F)c1-c1ccccc1 ZINC000345583098 1020374234 /nfs/dbraw/zinc/37/42/34/1020374234.db2.gz HQZBGMXJFAPIBF-UHFFFAOYSA-N -1 0 345.761 3.838 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cccnc1C(F)(F)F ZINC000345584143 1020374835 /nfs/dbraw/zinc/37/48/35/1020374835.db2.gz HZXRAZMTKWEABC-UHFFFAOYSA-N -1 0 334.656 3.851 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1ccn(-c2ccccc2)n1 ZINC000345599833 1020394380 /nfs/dbraw/zinc/39/43/80/1020394380.db2.gz CSCUJNKUZQTKQR-UHFFFAOYSA-N -1 0 331.734 3.623 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc(Cl)c(Br)c1 ZINC000263487100 1020414564 /nfs/dbraw/zinc/41/45/64/1020414564.db2.gz HOHKJVXFEKUXDU-ONGXEEELSA-N -1 0 346.652 3.788 20 0 EHADRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000340852932 1020451351 /nfs/dbraw/zinc/45/13/51/1020451351.db2.gz WQZXZRRLHXVOJQ-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1sc(C)nc1C ZINC000345685542 1020452523 /nfs/dbraw/zinc/45/25/23/1020452523.db2.gz BTCXDJBKVDDXSW-UHFFFAOYSA-N -1 0 346.861 3.613 20 0 EHADRM CCSc1ccc(C(=O)N=c2cc(-c3ccccc3C)[nH][nH]2)cn1 ZINC000340862777 1020475673 /nfs/dbraw/zinc/47/56/73/1020475673.db2.gz AXMJOEWUZZPBHC-UHFFFAOYSA-N -1 0 338.436 3.566 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(C)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000345806355 1020516803 /nfs/dbraw/zinc/51/68/03/1020516803.db2.gz NEXDHRYTMIEDIW-LBPRGKRZSA-N -1 0 347.798 3.637 20 0 EHADRM O=C(Cc1cc2c(ccc3ccccc23)o1)[N-]OCc1cccnc1 ZINC000160844484 1020652822 /nfs/dbraw/zinc/65/28/22/1020652822.db2.gz NXHRAVUARVRNME-UHFFFAOYSA-N -1 0 332.359 3.772 20 0 EHADRM COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)Nc2cc(C)cc(C)c2)c1 ZINC000656475383 1020688333 /nfs/dbraw/zinc/68/83/33/1020688333.db2.gz TWIAVEMQZVACOT-KRWDZBQOSA-N -1 0 342.395 3.602 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NCc1ccc(-c2cccs2)cc1 ZINC000656485756 1020707531 /nfs/dbraw/zinc/70/75/31/1020707531.db2.gz GCUWSXWJEUQEOJ-UHFFFAOYSA-N -1 0 331.437 3.922 20 0 EHADRM CCOc1cc(F)ccc1NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000048383534 1020733964 /nfs/dbraw/zinc/73/39/64/1020733964.db2.gz VJJSBKYOMJPAIX-IBGZPJMESA-N -1 0 345.370 3.596 20 0 EHADRM CC(=O)Nc1cccc(C(=O)/C=C/c2cccc(C(=O)[O-])c2Cl)c1 ZINC000188715614 1020871449 /nfs/dbraw/zinc/87/14/49/1020871449.db2.gz XOCLCSWFGZICTR-CMDGGOBGSA-N -1 0 343.766 3.893 20 0 EHADRM CCc1ccc(C(=O)[O-])cc1NCc1ccc(O[C@H]2CCOC2)cc1 ZINC000656566086 1020922825 /nfs/dbraw/zinc/92/28/25/1020922825.db2.gz DADGCJIOIOMDSN-SFHVURJKSA-N -1 0 341.407 3.727 20 0 EHADRM CN(C(=O)NCc1ccc(Cl)c(Cl)c1)C1(C(=O)[O-])CCCC1 ZINC000656597057 1020980309 /nfs/dbraw/zinc/98/03/09/1020980309.db2.gz MXFMGIPNTIKVFA-UHFFFAOYSA-N -1 0 345.226 3.532 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccccc2)cnn1-c1ccc(Cl)cc1 ZINC000341107214 1020983815 /nfs/dbraw/zinc/98/38/15/1020983815.db2.gz YSWKLUSUMUYULK-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM COc1ccc(C(=O)Nc2cc(C(C)=O)ccc2[O-])c(OC(C)C)c1 ZINC000476141425 1032952844 /nfs/dbraw/zinc/95/28/44/1032952844.db2.gz IZIQDBSKFNNVND-UHFFFAOYSA-N -1 0 343.379 3.643 20 0 EHADRM CCSCc1cc(C(=O)Nc2cc(Cl)c([O-])cc2F)no1 ZINC000436767430 1021217536 /nfs/dbraw/zinc/21/75/36/1021217536.db2.gz GUVPSRDDSKBCSS-UHFFFAOYSA-N -1 0 330.768 3.678 20 0 EHADRM Cc1ccc(-c2cc(C(=O)Nc3cc(Cl)c([O-])cc3F)n[nH]2)o1 ZINC000436768771 1021218109 /nfs/dbraw/zinc/21/81/09/1021218109.db2.gz GLEJJIPHPKDWGQ-UHFFFAOYSA-N -1 0 335.722 3.729 20 0 EHADRM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2c(C)cc(C)nc2C)c1 ZINC000656735086 1021228673 /nfs/dbraw/zinc/22/86/73/1021228673.db2.gz QXLSRMQQWCETSM-AWEZNQCLSA-N -1 0 348.468 3.985 20 0 EHADRM COc1cc(NC(=O)c2c([O-])cccc2F)ccc1C(F)(F)F ZINC000436789065 1021231188 /nfs/dbraw/zinc/23/11/88/1021231188.db2.gz BXAPKNOIQMSGIM-UHFFFAOYSA-N -1 0 329.249 3.811 20 0 EHADRM C[C@@]1(c2ccccc2)CCN(C(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000436791049 1021233115 /nfs/dbraw/zinc/23/31/15/1021233115.db2.gz PZXGVKNYPICWHJ-GOSISDBHSA-N -1 0 333.790 3.989 20 0 EHADRM Cc1nc(C)c(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])nc1C ZINC000436789794 1021234065 /nfs/dbraw/zinc/23/40/65/1021234065.db2.gz DNNQLQPATAJTGQ-UHFFFAOYSA-N -1 0 326.183 3.667 20 0 EHADRM CO[C@H](CS(=O)(=O)[N-]c1nc(C(C)C)c(C)s1)C1CCCC1 ZINC000656740633 1021237857 /nfs/dbraw/zinc/23/78/57/1021237857.db2.gz YJHQWHSBHZCWEY-CYBMUJFWSA-N -1 0 346.518 3.522 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cc(C)cc(Br)c2)c1 ZINC000436795431 1021239715 /nfs/dbraw/zinc/23/97/15/1021239715.db2.gz FPKSDLILRGDTGE-UHFFFAOYSA-N -1 0 348.196 3.918 20 0 EHADRM CO[C@@H]1CCOc2c(NC(=O)c3ccc(Cl)cc3[O-])cccc21 ZINC000436810263 1021255383 /nfs/dbraw/zinc/25/53/83/1021255383.db2.gz WXZZEWRIVWOUPZ-OAHLLOKOSA-N -1 0 333.771 3.768 20 0 EHADRM C[C@H](O)C[C@H]1CCCCN1C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436811907 1021255955 /nfs/dbraw/zinc/25/59/55/1021255955.db2.gz WFHWKLLUKXNWNV-QWHCGFSZSA-N -1 0 347.842 3.964 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)Cc2cnc3ccccc3c2)c1 ZINC000436831648 1021265434 /nfs/dbraw/zinc/26/54/34/1021265434.db2.gz FVAYMNFHDQASOP-UHFFFAOYSA-N -1 0 334.375 3.714 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cc(-c3ccc(C)cc3C)[nH]n2)c1 ZINC000436827813 1021279278 /nfs/dbraw/zinc/27/92/78/1021279278.db2.gz VLJXXFGKYYVREC-UHFFFAOYSA-N -1 0 349.390 3.854 20 0 EHADRM CC1(C)CCN(C(=O)c2cc(F)cc(Br)c2[O-])CC1 ZINC000436855698 1021281671 /nfs/dbraw/zinc/28/16/71/1021281671.db2.gz WIINKWUVEZMOOP-UHFFFAOYSA-N -1 0 330.197 3.556 20 0 EHADRM COCCOc1cccc(/C=C/c2nc3ccc(C(=O)[O-])cc3o2)c1 ZINC000439266919 1021293718 /nfs/dbraw/zinc/29/37/18/1021293718.db2.gz CYKYLHUPAJFLMK-VMPITWQZSA-N -1 0 339.347 3.722 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2csc(-c3ccoc3)n2)c1 ZINC000436860885 1021298019 /nfs/dbraw/zinc/29/80/19/1021298019.db2.gz INMMXEGWHHDLOT-UHFFFAOYSA-N -1 0 328.349 3.564 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2nc(-c3ccco3)sc2C)c1 ZINC000436862847 1021301469 /nfs/dbraw/zinc/30/14/69/1021301469.db2.gz QENWVIOUTQPSKB-UHFFFAOYSA-N -1 0 342.376 3.872 20 0 EHADRM Cc1cnn(Cc2ccccc2F)c1NC(=O)c1cc(C)ccc1O ZINC000436863918 1021303784 /nfs/dbraw/zinc/30/37/84/1021303784.db2.gz KXGPFCWYDLEIIY-UHFFFAOYSA-N -1 0 339.370 3.645 20 0 EHADRM CC(=O)c1ccsc1[N-]S(=O)(=O)c1cccc2cc(C)cnc21 ZINC000427334447 1021321250 /nfs/dbraw/zinc/32/12/50/1021321250.db2.gz ADTJOPKXZUMHPD-UHFFFAOYSA-N -1 0 346.433 3.608 20 0 EHADRM O=C([O-])c1ccc2c(c1)[C@H](CNc1nc3ccccc3c(=O)[nH]1)CCC2 ZINC000656781899 1021322499 /nfs/dbraw/zinc/32/24/99/1021322499.db2.gz CIMLKSWCNNEHPZ-AWEZNQCLSA-N -1 0 349.390 3.566 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)NCCCCCC(=O)[O-] ZINC000669493598 1032970938 /nfs/dbraw/zinc/97/09/38/1032970938.db2.gz HMNHZODBYOKVRG-UHFFFAOYSA-N -1 0 336.432 3.759 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)Nc2ccccc2F)CC1 ZINC000669493257 1032973556 /nfs/dbraw/zinc/97/35/56/1032973556.db2.gz XMJLAUWBNCXIJL-UHFFFAOYSA-N -1 0 342.370 3.935 20 0 EHADRM COc1ccc(-c2nc(-c3cccc(OC(C)C)c3)no2)c(O)c1 ZINC000436915052 1021372178 /nfs/dbraw/zinc/37/21/78/1021372178.db2.gz OEJQYWSGVSIBEB-UHFFFAOYSA-N -1 0 326.352 3.905 20 0 EHADRM C[C@@H](NC(=O)c1cc(F)ccc1O)c1ccccc1OC(F)F ZINC000436929776 1021392614 /nfs/dbraw/zinc/39/26/14/1021392614.db2.gz WAJHDEGNBSJZGF-SECBINFHSA-N -1 0 325.286 3.624 20 0 EHADRM Cc1cc(S(=O)(=O)Nc2c(Cl)cccc2C(=O)[O-])sc1C ZINC000548197026 1021396595 /nfs/dbraw/zinc/39/65/95/1021396595.db2.gz PJBUTRWWEVHGLI-UHFFFAOYSA-N -1 0 345.829 3.517 20 0 EHADRM O=C1CCc2cc(-c3noc(-c4ccc(Cl)cc4[O-])n3)ccc2N1 ZINC000436937998 1021400360 /nfs/dbraw/zinc/40/03/60/1021400360.db2.gz RXRKELLKAXAPSP-UHFFFAOYSA-N -1 0 341.754 3.647 20 0 EHADRM C[C@@H](NC(=O)C12CCC(C(=O)[O-])(CC1)CC2)[C@@H](C)c1ccccc1 ZINC000909410192 1021405453 /nfs/dbraw/zinc/40/54/53/1021405453.db2.gz DPINMMPJEYUGLI-SNEKZUEESA-N -1 0 329.440 3.720 20 0 EHADRM O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1c([O-])cccc1F ZINC000436946962 1021407646 /nfs/dbraw/zinc/40/76/46/1021407646.db2.gz YKIDLYLUZRYGPB-UHFFFAOYSA-N -1 0 329.327 3.825 20 0 EHADRM CN(Cc1ccc(F)c(Cl)c1)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000436952693 1021419269 /nfs/dbraw/zinc/41/92/69/1021419269.db2.gz YFKHMKPNHGMRPD-UHFFFAOYSA-N -1 0 329.705 3.735 20 0 EHADRM CCc1cccc2c(CCNC(=O)c3c(O)cccc3F)c[nH]c21 ZINC000436956425 1021421400 /nfs/dbraw/zinc/42/14/00/1021421400.db2.gz MLGRJPKZFOWOFI-UHFFFAOYSA-N -1 0 326.371 3.548 20 0 EHADRM O=C(c1ccc2c(c1O)CCCC2)N1CCc2c1cc(F)cc2F ZINC000436958236 1021421627 /nfs/dbraw/zinc/42/16/27/1021421627.db2.gz FIYLDLHXLUAQDP-UHFFFAOYSA-N -1 0 329.346 3.752 20 0 EHADRM O=C(CCSc1ccccc1)[N-]S(=O)(=O)Cc1ccccc1 ZINC000048595730 1021427389 /nfs/dbraw/zinc/42/73/89/1021427389.db2.gz OLGHTIGSWDFZKJ-UHFFFAOYSA-N -1 0 335.450 3.655 20 0 EHADRM C[C@H](CO)N(CC1CCC1)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436994229 1021448891 /nfs/dbraw/zinc/44/88/91/1021448891.db2.gz LKDCDPCNICIJCB-GFCCVEGCSA-N -1 0 347.842 3.822 20 0 EHADRM Cc1c(NC(=O)c2ccc([O-])c(Cl)c2)cccc1NC(=O)N(C)C ZINC000436995375 1021450936 /nfs/dbraw/zinc/45/09/36/1021450936.db2.gz CPFVVJZDAYNEEA-UHFFFAOYSA-N -1 0 347.802 3.700 20 0 EHADRM CCOc1cccc([C@H]2C[C@H]2NC(=O)c2cc(F)c([O-])c(Cl)c2)c1 ZINC000436994508 1021451654 /nfs/dbraw/zinc/45/16/54/1021451654.db2.gz DGDTVVFLCWKMAU-CZUORRHYSA-N -1 0 349.789 3.869 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@H]3CC=CCC3)n2)cc1 ZINC000439522585 1021524787 /nfs/dbraw/zinc/52/47/87/1021524787.db2.gz JMIANEVKPJKOSQ-HNNXBMFYSA-N -1 0 325.412 3.540 20 0 EHADRM CC(C)(C(=O)[O-])C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000518769952 1021544305 /nfs/dbraw/zinc/54/43/05/1021544305.db2.gz JJWKOBKJQSEEJG-UHFFFAOYSA-N -1 0 341.860 3.534 20 0 EHADRM O=S(=O)([N-]c1ccn(-c2ccccc2)n1)c1cccc2ccccc21 ZINC000439576170 1021570137 /nfs/dbraw/zinc/57/01/37/1021570137.db2.gz XCTSKXUOJARMQL-UHFFFAOYSA-N -1 0 349.415 3.826 20 0 EHADRM CC(C)c1nnc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)s1 ZINC000437178181 1021625495 /nfs/dbraw/zinc/62/54/95/1021625495.db2.gz WRPLNCNIUBJCBI-UHFFFAOYSA-N -1 0 339.486 3.760 20 0 EHADRM O=S(=O)([N-]c1ccc2ccccc2n1)c1cnc2ccsc2c1 ZINC000437181361 1021627296 /nfs/dbraw/zinc/62/72/96/1021627296.db2.gz QEMNLTQPPMDQGK-UHFFFAOYSA-N -1 0 341.417 3.645 20 0 EHADRM CCCCCc1nnc([N-]S(=O)(=O)c2ccc(C)c(C)c2)s1 ZINC000437203048 1021638834 /nfs/dbraw/zinc/63/88/34/1021638834.db2.gz YIAZQVWRXMVYMD-UHFFFAOYSA-N -1 0 339.486 3.688 20 0 EHADRM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1csc2ccccc21 ZINC000506660997 1021665738 /nfs/dbraw/zinc/66/57/38/1021665738.db2.gz DFUJQNSLCFJUMQ-UHFFFAOYSA-N -1 0 343.433 3.887 20 0 EHADRM C=Cc1ccc(S(=O)(=O)[N-]c2cn(C)nc2C2CCCCC2)cc1 ZINC000516740291 1021686914 /nfs/dbraw/zinc/68/69/14/1021686914.db2.gz XETNJKNAMYIBGR-UHFFFAOYSA-N -1 0 345.468 3.912 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)C1 ZINC000516742430 1021689510 /nfs/dbraw/zinc/68/95/10/1021689510.db2.gz SDWPJOXQOYVRCJ-SCLBCKFNSA-N -1 0 348.418 3.563 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cn2)cc1C ZINC000437300749 1021713047 /nfs/dbraw/zinc/71/30/47/1021713047.db2.gz APOSLSSTFQWXLY-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ncc(C(C)(C)C)s2)cc1C ZINC000437338698 1021743859 /nfs/dbraw/zinc/74/38/59/1021743859.db2.gz QEIQTEZRGMNWKZ-UHFFFAOYSA-N -1 0 340.470 3.558 20 0 EHADRM O=C(CCCc1ccc(O)c(F)c1)Nc1cc(F)cc(Cl)c1[O-] ZINC000469557659 1021768479 /nfs/dbraw/zinc/76/84/79/1021768479.db2.gz ALUZYODFANNUHE-UHFFFAOYSA-N -1 0 341.741 3.991 20 0 EHADRM Cc1ccnc([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)c1 ZINC000439887445 1021788149 /nfs/dbraw/zinc/78/81/49/1021788149.db2.gz JRZAKNKRFDNHCO-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM COCc1nc(=N[C@@H](c2ccccc2)c2cccc(Cl)c2)s[n-]1 ZINC000426519938 1021794034 /nfs/dbraw/zinc/79/40/34/1021794034.db2.gz BVWPQWPYGXWTHI-INIZCTEOSA-N -1 0 345.855 3.961 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccnn1[C@H](C)CC(C)C ZINC000437409810 1021804847 /nfs/dbraw/zinc/80/48/47/1021804847.db2.gz KXIVSXQHKFDBJB-GFCCVEGCSA-N -1 0 327.475 3.661 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)c2ccc(C(C)C)s2)c1OC ZINC000439941359 1021834571 /nfs/dbraw/zinc/83/45/71/1021834571.db2.gz MYVFGDBJFLVIFC-UHFFFAOYSA-N -1 0 349.408 3.839 20 0 EHADRM COc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2F)c(OC(C)C)c1 ZINC000439931694 1021841492 /nfs/dbraw/zinc/84/14/92/1021841492.db2.gz VYSBOWBKUBXUGO-UHFFFAOYSA-N -1 0 347.342 3.572 20 0 EHADRM Cc1cc(C)cc(/C=C2\CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)c1 ZINC000519105117 1021863347 /nfs/dbraw/zinc/86/33/47/1021863347.db2.gz XIOBBFUAXCZXKW-XNTDXEJSSA-N -1 0 346.386 3.656 20 0 EHADRM CC(C)c1noc(-c2cccc([N-]S(=O)(=O)c3cccs3)c2)n1 ZINC000130446844 1021903444 /nfs/dbraw/zinc/90/34/44/1021903444.db2.gz CIVGHZBVLRCCPL-UHFFFAOYSA-N -1 0 349.437 3.722 20 0 EHADRM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3ccccc3n2)cc1 ZINC000519239492 1021955085 /nfs/dbraw/zinc/95/50/85/1021955085.db2.gz KOMKFDVAWWUOAG-UHFFFAOYSA-N -1 0 342.420 3.824 20 0 EHADRM CCc1n[n-]c(=NC(=O)N2CCCC[C@@H]2c2cccc(C)c2C)s1 ZINC000437593918 1021969285 /nfs/dbraw/zinc/96/92/85/1021969285.db2.gz OUPPZAPKFUNGOP-OAHLLOKOSA-N -1 0 344.484 3.898 20 0 EHADRM COC[C@H](C)Nc1ccccc1NC(=O)c1ccc([O-])c(Cl)c1 ZINC000437590948 1021980958 /nfs/dbraw/zinc/98/09/58/1021980958.db2.gz NPGIGOCXDPODDV-NSHDSACASA-N -1 0 334.803 3.745 20 0 EHADRM O=C([O-])c1ccc([C@H](NC(=O)[C@H]2CC23CCCC3)C(F)(F)F)cc1 ZINC000517074560 1021984882 /nfs/dbraw/zinc/98/48/82/1021984882.db2.gz YOCNENOABVTNKG-OLZOCXBDSA-N -1 0 341.329 3.685 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccsc2)nn1C1CCCCC1 ZINC000290565999 1022047920 /nfs/dbraw/zinc/04/79/20/1022047920.db2.gz SQJSSSPGACGQQT-UHFFFAOYSA-N -1 0 325.459 3.559 20 0 EHADRM CCSCC[C@H](C)NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000437697196 1022065828 /nfs/dbraw/zinc/06/58/28/1022065828.db2.gz LXAKZVHWHMMJRU-VIFPVBQESA-N -1 0 342.313 3.803 20 0 EHADRM C[C@H](N=c1[n-]c(-c2cccc(Cl)c2)no1)c1ccc2n[nH]cc2c1 ZINC000517192502 1022117748 /nfs/dbraw/zinc/11/77/48/1022117748.db2.gz MBYCCZAEJKAUKC-JTQLQIEISA-N -1 0 339.786 3.861 20 0 EHADRM O=S(=O)([N-]C1(C(F)(F)F)CCC1)c1cc(Cl)cc(Cl)c1 ZINC000546174423 1022126976 /nfs/dbraw/zinc/12/69/76/1022126976.db2.gz SMCXTQQGWXFHGW-UHFFFAOYSA-N -1 0 348.173 3.757 20 0 EHADRM CC1(CC(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)CCCCC1 ZINC000125858322 1022130855 /nfs/dbraw/zinc/13/08/55/1022130855.db2.gz ZUFPHFNZTPUOHT-UHFFFAOYSA-N -1 0 335.878 3.567 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC000517240626 1022161029 /nfs/dbraw/zinc/16/10/29/1022161029.db2.gz KQGBQUGQGWHERS-HNNXBMFYSA-N -1 0 347.480 3.976 20 0 EHADRM CCC[C@@H]1[C@@H](C)CCCN1C(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000437813370 1022163827 /nfs/dbraw/zinc/16/38/27/1022163827.db2.gz CKRVBEGNQNPHBM-NWDGAFQWSA-N -1 0 334.445 3.653 20 0 EHADRM CCCCc1ccc([C@H](NC(=O)N=c2[n-]ncs2)C(C)C)cc1 ZINC000517309705 1022249413 /nfs/dbraw/zinc/24/94/13/1022249413.db2.gz IOZGTIPFFRMPJG-OAHLLOKOSA-N -1 0 332.473 3.821 20 0 EHADRM CC1(C)CCCCN(C(=O)N=c2nc(-c3ccccc3)[n-]s2)C1 ZINC000437918778 1022253269 /nfs/dbraw/zinc/25/32/69/1022253269.db2.gz BWEKPFHYPOSDOI-UHFFFAOYSA-N -1 0 330.457 3.671 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)N1CCC[C@H](CC(=O)[O-])C1)C(C)(C)C ZINC000517326651 1022260498 /nfs/dbraw/zinc/26/04/98/1022260498.db2.gz BHPYLRAARIHUIC-CRAIPNDOSA-N -1 0 346.471 3.979 20 0 EHADRM Cc1ccccc1-c1nsc([N-]c2cnn3c2NC[C@@H](C)C3)n1 ZINC000894946787 1022270546 /nfs/dbraw/zinc/27/05/46/1022270546.db2.gz BYIHXYPEHHLNOP-SNVBAGLBSA-N -1 0 326.429 3.515 20 0 EHADRM Cc1cc(F)c(S(=O)(=O)[N-]c2ncc(C(C)C)s2)cc1F ZINC000122949914 1022281093 /nfs/dbraw/zinc/28/10/93/1022281093.db2.gz FKAONWZUXCGRFI-UHFFFAOYSA-N -1 0 332.397 3.654 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2sccc2Br)c(C)c1 ZINC000048440672 1022350380 /nfs/dbraw/zinc/35/03/80/1022350380.db2.gz PHAGXFBFELZLNM-UHFFFAOYSA-N -1 0 346.271 3.928 20 0 EHADRM Cc1nc(CNCc2cnc(-c3ccsc3)s2)ccc1C(=O)[O-] ZINC000426660778 1022482030 /nfs/dbraw/zinc/48/20/30/1022482030.db2.gz QFQVUKOCCVERHD-UHFFFAOYSA-N -1 0 345.449 3.563 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(Cl)s2)c(C)c1 ZINC000048505557 1022548544 /nfs/dbraw/zinc/54/85/44/1022548544.db2.gz JSEQEFMJWAUJMO-UHFFFAOYSA-N -1 0 329.830 3.712 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3C[C@H](C)C[C@@H](C)C3)n2)c1 ZINC000303853648 1022589603 /nfs/dbraw/zinc/58/96/03/1022589603.db2.gz FBUMASFFIBGQPW-HUUCEWRRSA-N -1 0 341.455 3.819 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2sc(C)nc2C)c1C ZINC000330633505 1022636465 /nfs/dbraw/zinc/63/64/65/1022636465.db2.gz ALPRFEDDCLICDH-UHFFFAOYSA-N -1 0 328.484 3.591 20 0 EHADRM O=S(=O)([N-]c1ccccc1OCC1CC1)c1cccc(F)c1F ZINC000303943313 1022666064 /nfs/dbraw/zinc/66/60/64/1022666064.db2.gz YWSKUMVBGBWURR-UHFFFAOYSA-N -1 0 339.363 3.554 20 0 EHADRM COc1ccc([C@H](CCC(=O)[O-])[NH2+]Cc2cnc(C3CC3)s2)cc1 ZINC000669472580 1022666365 /nfs/dbraw/zinc/66/63/65/1022666365.db2.gz UOEBEYJUNUUTDZ-INIZCTEOSA-N -1 0 346.452 3.725 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)N=c1nc(Cc2ccccc2)[n-]s1 ZINC000510566792 1022689586 /nfs/dbraw/zinc/68/95/86/1022689586.db2.gz VVOSTWKGYDTYEN-UHFFFAOYSA-N -1 0 343.839 3.765 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CCc1ccc([C@H]2C[C@H]2C)o1 ZINC000391781085 1022761232 /nfs/dbraw/zinc/76/12/32/1022761232.db2.gz ONIIUDODDHPPRM-DOMZBBRYSA-N -1 0 327.380 3.981 20 0 EHADRM O[C@@H](CSc1n[n-]c(=NCc2ccccc2)s1)C1CCCCC1 ZINC000473792993 1022791368 /nfs/dbraw/zinc/79/13/68/1022791368.db2.gz QVCRXTNSZNGGFB-HNNXBMFYSA-N -1 0 349.525 3.605 20 0 EHADRM CC[C@H](C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl)[NH+](C)C ZINC000331356533 1022801513 /nfs/dbraw/zinc/80/15/13/1022801513.db2.gz SBCGFDUSJVUYLH-MRVPVSSYSA-N -1 0 325.623 3.631 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N[C@@H](c2ccccc2)C2CCC2)s1 ZINC000517899474 1022806943 /nfs/dbraw/zinc/80/69/43/1022806943.db2.gz WUOYLODZCUUPBH-ZDUSSCGKSA-N -1 0 348.497 3.735 20 0 EHADRM Cc1cc(C([O-])=CS(=O)(=O)c2ccccc2Cl)c(F)cc1F ZINC000428025880 1022818712 /nfs/dbraw/zinc/81/87/12/1022818712.db2.gz WDYFZWMUIGMKFM-UHFFFAOYSA-N -1 0 344.766 3.583 20 0 EHADRM CCC(C)(C)[C@@H]1CCCN1C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000122043139 1022841677 /nfs/dbraw/zinc/84/16/77/1022841677.db2.gz OOVKXGRPKOAVJL-KRWDZBQOSA-N -1 0 341.455 3.515 20 0 EHADRM O=S(=O)([N-]c1cc(C2CCCC2)[nH]n1)c1ccc(Cl)cc1 ZINC000126822439 1022854486 /nfs/dbraw/zinc/85/44/86/1022854486.db2.gz TZZNEUFIUQTRPA-UHFFFAOYSA-N -1 0 325.821 3.522 20 0 EHADRM Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000089102761 1022874985 /nfs/dbraw/zinc/87/49/85/1022874985.db2.gz FGBYWFKLSFCPQZ-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cnn(-c2ccccc2)c1 ZINC000341663388 1022917575 /nfs/dbraw/zinc/91/75/75/1022917575.db2.gz ZWWHKMWMBZAWCC-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM N#CC(=C([O-])C=Cc1ccc2c(c1)OCO2)c1nc2ccccc2s1 ZINC000046441851 1033092627 /nfs/dbraw/zinc/09/26/27/1033092627.db2.gz XAGODCPPIYHFHV-IYNGYCSASA-N -1 0 348.383 3.915 20 0 EHADRM Cc1cccc([C@H]2CCCCN2C(=O)N=c2cc(C)c(C)n[n-]2)c1C ZINC000518028889 1022939120 /nfs/dbraw/zinc/93/91/20/1022939120.db2.gz UVLGMXCYYUKJOU-GOSISDBHSA-N -1 0 338.455 3.891 20 0 EHADRM CCO[C@H](CC)c1noc(-c2cccc(Br)c2[O-])n1 ZINC000665038538 1022957813 /nfs/dbraw/zinc/95/78/13/1022957813.db2.gz IUWRSBBPTMPEFI-SNVBAGLBSA-N -1 0 327.178 3.692 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccc2nn(C(C)C)cc2c1 ZINC000438751950 1022977908 /nfs/dbraw/zinc/97/79/08/1022977908.db2.gz DZOOUJSTBOXHNF-UHFFFAOYSA-N -1 0 335.454 3.788 20 0 EHADRM C[C@@H](C(=O)N=c1nc(C(C)(C)C)[n-]s1)c1ccc(Cl)s1 ZINC000426713760 1022980043 /nfs/dbraw/zinc/98/00/43/1022980043.db2.gz JUZVKRHBHSBGIZ-SSDOTTSWSA-N -1 0 329.878 3.715 20 0 EHADRM Cc1nc(CNCc2cc(Cl)ccc2Cl)sc1C(=O)[O-] ZINC000426708976 1022993927 /nfs/dbraw/zinc/99/39/27/1022993927.db2.gz PCGPKRMOUYRORM-UHFFFAOYSA-N -1 0 331.224 3.746 20 0 EHADRM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)cc1 ZINC000438813716 1023011662 /nfs/dbraw/zinc/01/16/62/1023011662.db2.gz ZALPVCOEWYKSIL-UHFFFAOYSA-N -1 0 339.363 3.604 20 0 EHADRM O=C([O-])[C@H](NCc1csc(-c2cccs2)n1)c1cccc(F)c1 ZINC000426762083 1023031392 /nfs/dbraw/zinc/03/13/92/1023031392.db2.gz HDIRGWWGLDVSKW-CQSZACIVSA-N -1 0 348.424 3.926 20 0 EHADRM CCSc1cccc(C[NH2+][C@@H](C(=O)[O-])c2ccccc2OC)c1 ZINC000426772619 1023034459 /nfs/dbraw/zinc/03/44/59/1023034459.db2.gz FPBGGMUNMCDRKD-QGZVFWFLSA-N -1 0 331.437 3.723 20 0 EHADRM Cc1ccc2c(CC(=O)N3CCCC[C@H]3CCC(=O)[O-])coc2c1C ZINC000237870092 1033096093 /nfs/dbraw/zinc/09/60/93/1033096093.db2.gz GORSUZBEXTZUOP-INIZCTEOSA-N -1 0 343.423 3.838 20 0 EHADRM C[C@H](C(=O)NCCc1cccc(C(=O)[O-])c1)c1cc2ccccc2o1 ZINC000537474255 1033101070 /nfs/dbraw/zinc/10/10/70/1033101070.db2.gz AWIRXERJIOXSTJ-ZDUSSCGKSA-N -1 0 337.375 3.593 20 0 EHADRM O=C([O-])[C@@H](NCc1cnn(-c2ccc(Cl)cc2)c1)c1ccsc1 ZINC000426814722 1023063389 /nfs/dbraw/zinc/06/33/89/1023063389.db2.gz ARZXSRODSPSLPB-HNNXBMFYSA-N -1 0 347.827 3.503 20 0 EHADRM Cc1cc(CN[C@H](C(=O)[O-])c2ccsc2)sc1Br ZINC000426827035 1023071226 /nfs/dbraw/zinc/07/12/26/1023071226.db2.gz GUKNLBRASLTFMX-JTQLQIEISA-N -1 0 346.271 3.796 20 0 EHADRM CCCOc1ccc(NS(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000507025490 1023082362 /nfs/dbraw/zinc/08/23/62/1023082362.db2.gz IYBRMLRCOYIFLM-UHFFFAOYSA-N -1 0 345.342 3.694 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)cc1 ZINC000198024548 1033105046 /nfs/dbraw/zinc/10/50/46/1033105046.db2.gz KIFWMYURQDMDQQ-UHFFFAOYSA-N -1 0 337.379 3.580 20 0 EHADRM CC(C)C[C@H](NC(=O)N[C@@H](C)c1cccc2ccccc21)C(=O)[O-] ZINC000196021603 1033105962 /nfs/dbraw/zinc/10/59/62/1033105962.db2.gz NVQXBJLZZVSJBP-GUYCJALGSA-N -1 0 328.412 3.699 20 0 EHADRM Cc1cc2occ(CC(=O)NCC3(C(=O)[O-])CCC3)c2cc1C(C)C ZINC000518280015 1023189911 /nfs/dbraw/zinc/18/99/11/1023189911.db2.gz OELXAQBEPSGCTD-UHFFFAOYSA-N -1 0 343.423 3.778 20 0 EHADRM O=S(=O)([N-]c1noc2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000438988725 1023194011 /nfs/dbraw/zinc/19/40/11/1023194011.db2.gz XIWCCWKENGFDRW-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM CC(=O)Nc1ccc(O)c(C(=O)N[C@H](C)c2cccc(C3CC3)c2)c1 ZINC000518315191 1023213274 /nfs/dbraw/zinc/21/32/74/1023213274.db2.gz ZPYGTAJXPRTDOA-GFCCVEGCSA-N -1 0 338.407 3.719 20 0 EHADRM CCc1cccc(C)c1N=c1[n-]nc(SCC(=O)C2CC2)s1 ZINC000518305387 1023218860 /nfs/dbraw/zinc/21/88/60/1023218860.db2.gz ANLSWVZIBZLJEW-UHFFFAOYSA-N -1 0 333.482 3.646 20 0 EHADRM Cc1ncsc1CN=c1[n-]nc([C@H]2CCCc3ccccc32)s1 ZINC000520486902 1023221619 /nfs/dbraw/zinc/22/16/19/1023221619.db2.gz YHQFXCDOKYZAHD-AWEZNQCLSA-N -1 0 342.493 3.805 20 0 EHADRM CCCCc1oc2ccccc2c1CN(C)C(=O)[C@H]1CC[C@@H]1C(=O)[O-] ZINC000507350647 1023261075 /nfs/dbraw/zinc/26/10/75/1023261075.db2.gz VJDDVFOHWPXONF-GJZGRUSLSA-N -1 0 343.423 3.845 20 0 EHADRM Cc1nc(C(C)(C)NC(=O)c2cc(F)c(F)c([O-])c2F)sc1C ZINC000180041073 1023262172 /nfs/dbraw/zinc/26/21/72/1023262172.db2.gz YDLXJPNAJNBUNW-UHFFFAOYSA-N -1 0 344.358 3.548 20 0 EHADRM CC(C)C[C@@H]1CCCCCN1C(=O)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000471936994 1023345495 /nfs/dbraw/zinc/34/54/95/1023345495.db2.gz NGKNXVJIOAWSIQ-LBPRGKRZSA-N -1 0 344.381 3.740 20 0 EHADRM O=C([O-])c1cc(/C=C\c2cccc3c2OCCO3)nc2ccccc21 ZINC000207256674 1033126317 /nfs/dbraw/zinc/12/63/17/1033126317.db2.gz MZSYCDYLLGPJJL-HJWRWDBZSA-N -1 0 333.343 3.875 20 0 EHADRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1sc(C)cc1C ZINC000431167384 1023375455 /nfs/dbraw/zinc/37/54/55/1023375455.db2.gz LUEQCQZPRQLJPA-UHFFFAOYSA-N -1 0 325.455 3.873 20 0 EHADRM Cc1sc(/C=C\c2ccccc2-c2ccnn2C)nc1C(=O)[O-] ZINC000431173359 1023379569 /nfs/dbraw/zinc/37/95/69/1023379569.db2.gz QOEZDKGLNYLSTA-FPLPWBNLSA-N -1 0 325.393 3.721 20 0 EHADRM CC(=O)c1cc([N-]S(=O)(=O)c2sc(C)cc2C)ccc1F ZINC000431183408 1023409303 /nfs/dbraw/zinc/40/93/03/1023409303.db2.gz XNPQPWOOZIPZQF-UHFFFAOYSA-N -1 0 327.402 3.507 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])o1)c1ccc(Cl)cc1Cl ZINC000132574354 1023431116 /nfs/dbraw/zinc/43/11/16/1023431116.db2.gz XAYRKTKKXWDELC-SSDOTTSWSA-N -1 0 328.151 3.776 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H](c2ccccc2)C(F)(F)F)c(F)c1 ZINC000548478153 1023444375 /nfs/dbraw/zinc/44/43/75/1023444375.db2.gz VMHFDEMHEVOZSX-ZDUSSCGKSA-N -1 0 341.260 3.557 20 0 EHADRM O=S(=O)([N-]c1ncccc1OCC1CCCCC1)c1ccccc1 ZINC000598370491 1033136453 /nfs/dbraw/zinc/13/64/53/1033136453.db2.gz NDGITUBQQSZZMW-UHFFFAOYSA-N -1 0 346.452 3.842 20 0 EHADRM O=S(=O)(/C=C\c1ccc(F)cc1)[N-]c1cc(-c2ccccc2)on1 ZINC000255415000 1023504003 /nfs/dbraw/zinc/50/40/03/1023504003.db2.gz KVEJZFRYLNKEKF-KHPPLWFESA-N -1 0 344.367 3.893 20 0 EHADRM C[C@@H](CN(C)C(=O)N=c1[n-]nc(C(F)F)s1)C1CCCCC1 ZINC000528948649 1033138416 /nfs/dbraw/zinc/13/84/16/1033138416.db2.gz WMTSKEZLTNISOO-VIFPVBQESA-N -1 0 332.420 3.578 20 0 EHADRM Cc1cc(Cl)c(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1C ZINC000431223175 1023534385 /nfs/dbraw/zinc/53/43/85/1023534385.db2.gz ZTDMSZLTEURCLZ-KCXAZCMYSA-N -1 0 335.831 3.815 20 0 EHADRM CCc1cnccc1[C@H](C)NC(=O)c1cc(O)cc(Br)c1 ZINC000528967202 1033150499 /nfs/dbraw/zinc/15/04/99/1033150499.db2.gz WCSYZFSHIUPNFX-JTQLQIEISA-N -1 0 349.228 3.603 20 0 EHADRM CC(C)Oc1ccc(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cc1 ZINC000396449392 1023926698 /nfs/dbraw/zinc/92/66/98/1023926698.db2.gz QYWHCNWTNBDVGL-CYBMUJFWSA-N -1 0 327.380 3.914 20 0 EHADRM CCC(CC)[C@@H](C)C(=O)NCc1ccc(O)c(Br)c1 ZINC000536436892 1023984496 /nfs/dbraw/zinc/98/44/96/1023984496.db2.gz WORHHBRVWPNLAD-SNVBAGLBSA-N -1 0 328.250 3.843 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000323895923 1023992096 /nfs/dbraw/zinc/99/20/96/1023992096.db2.gz OLUPAHQAXNGFHU-UHFFFAOYSA-N -1 0 337.297 3.893 20 0 EHADRM CCCCCOC(=O)CSc1[n-]c(=O)cc(C(F)(F)F)c1C#N ZINC000060887952 1033178117 /nfs/dbraw/zinc/17/81/17/1033178117.db2.gz XRVWHYOXJDRLMA-UHFFFAOYSA-N -1 0 348.346 3.503 20 0 EHADRM CSCc1cnc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)s1 ZINC000417563342 1024056974 /nfs/dbraw/zinc/05/69/74/1024056974.db2.gz NKRUTAIRKWRLBJ-CYBMUJFWSA-N -1 0 342.873 3.575 20 0 EHADRM COc1cc(F)ccc1NC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1 ZINC000237185853 1024060179 /nfs/dbraw/zinc/06/01/79/1024060179.db2.gz RJUDEEJQXJUNPH-GOSISDBHSA-N -1 0 337.391 3.834 20 0 EHADRM C/C=C/COc1ccc(-c2cncc([C@@H]3OCC[C@H]3C(=O)[O-])c2)cc1 ZINC000657204121 1024081388 /nfs/dbraw/zinc/08/13/88/1024081388.db2.gz RXSLSMMXFSNBHT-KTBRJVSMSA-N -1 0 339.391 3.866 20 0 EHADRM CCOCc1ccc(-c2ccc3c(c2)[C@H](C(=O)[O-])CC(=O)N3)cc1F ZINC000657203968 1024084519 /nfs/dbraw/zinc/08/45/19/1024084519.db2.gz VTOMYNHGFJNKSN-OAHLLOKOSA-N -1 0 343.354 3.540 20 0 EHADRM CCOCc1ccc(-c2ccc3c(c2)[C@H](C(=O)[O-])CCO3)cc1F ZINC000657203928 1024084700 /nfs/dbraw/zinc/08/47/00/1024084700.db2.gz LRLAMXBMTAMFAD-OAHLLOKOSA-N -1 0 330.355 3.980 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(-c2ccc(NC(=O)C(C)(C)C)nc2)cc1 ZINC000657205065 1024085282 /nfs/dbraw/zinc/08/52/82/1024085282.db2.gz QVKKWMRTERFNLH-GFCCVEGCSA-N -1 0 326.396 3.921 20 0 EHADRM Cc1ccc(C)c(CC(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC000191408394 1024085512 /nfs/dbraw/zinc/08/55/12/1024085512.db2.gz RWJDUXWOXQSWLW-HNNXBMFYSA-N -1 0 325.408 3.748 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000191396784 1024088604 /nfs/dbraw/zinc/08/86/04/1024088604.db2.gz LFXQFVHBFFUDMU-DYVFJYSZSA-N -1 0 333.428 3.626 20 0 EHADRM O=C([O-])C/C(=C/c1ccn(C(F)F)n1)c1nc2ccccc2s1 ZINC000346065811 1024095429 /nfs/dbraw/zinc/09/54/29/1024095429.db2.gz JQRDBAZRWVBQRH-CLFYSBASSA-N -1 0 335.335 3.903 20 0 EHADRM COc1cccc([C@H](C)C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC000191423587 1024100698 /nfs/dbraw/zinc/10/06/98/1024100698.db2.gz RYNHVBIDFONMQJ-KGLIPLIRSA-N -1 0 341.407 3.701 20 0 EHADRM C[C@@H](OC(C)(C)C)[C@H](NCc1cnc(C2CCCC2)s1)C(=O)[O-] ZINC000417584040 1024101709 /nfs/dbraw/zinc/10/17/09/1024101709.db2.gz LVVOVUCEBWTQDG-RISCZKNCSA-N -1 0 340.489 3.547 20 0 EHADRM CO[C@@H](C(=O)[O-])c1ccccc1-c1ccc(O[C@@H]2CCOC2)c(C)c1 ZINC000657204406 1024105278 /nfs/dbraw/zinc/10/52/78/1024105278.db2.gz KOIOBKIOXKLCMR-DNVCBOLYSA-N -1 0 342.391 3.602 20 0 EHADRM COC[C@H](C)Oc1cccc(-c2ccccc2[C@H](OC)C(=O)[O-])c1 ZINC000657205357 1024112329 /nfs/dbraw/zinc/11/23/29/1024112329.db2.gz RRFXJCUJJPWTCP-UGSOOPFHSA-N -1 0 330.380 3.539 20 0 EHADRM CC(C)(CN=c1[n-]nc(-c2ccccc2)s1)Oc1ccccc1 ZINC000514083161 1024117168 /nfs/dbraw/zinc/11/71/68/1024117168.db2.gz KGWUPRIJSIROFL-UHFFFAOYSA-N -1 0 325.437 3.897 20 0 EHADRM O=C([O-])C1(c2ccc(-c3cnc4c(c3)CC(=O)N4)cc2)CCCCC1 ZINC000657206361 1024128820 /nfs/dbraw/zinc/12/88/20/1024128820.db2.gz RMPCLZZHJHRWCW-UHFFFAOYSA-N -1 0 336.391 3.530 20 0 EHADRM CC(C)(C)n1cc(-c2ccc(OC(F)(F)F)cc2)c(C(=O)[O-])n1 ZINC000657207795 1024130656 /nfs/dbraw/zinc/13/06/56/1024130656.db2.gz XNSGKEIUIQMIPA-UHFFFAOYSA-N -1 0 328.290 3.902 20 0 EHADRM CSc1ccccc1NC(=O)[C@](C)(CC(=O)[O-])c1ccsc1 ZINC000634815783 1024144947 /nfs/dbraw/zinc/14/49/47/1024144947.db2.gz JFWHBHKXZIWWGJ-MRXNPFEDSA-N -1 0 335.450 3.841 20 0 EHADRM CC(C)Oc1ccc([C@H](C)NC(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC000262196987 1024147404 /nfs/dbraw/zinc/14/74/04/1024147404.db2.gz RQXRTFLHTQWNJI-AWEZNQCLSA-N -1 0 341.407 3.592 20 0 EHADRM COc1ccc(OC)c(CNc2ccc([C@H](C)CC(=O)[O-])cc2)c1 ZINC000417611364 1024168514 /nfs/dbraw/zinc/16/85/14/1024168514.db2.gz OZADDMNYJZECGK-CYBMUJFWSA-N -1 0 329.396 3.894 20 0 EHADRM CC(C)C[C@](C)(CC(=O)[O-])C(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000634816386 1024172835 /nfs/dbraw/zinc/17/28/35/1024172835.db2.gz NIWHYLXUMFCUCM-LJQANCHMSA-N -1 0 346.427 3.501 20 0 EHADRM COc1cc(-c2ccccc2)sc1C(=O)N=c1cc(C)c(C)n[n-]1 ZINC000522303059 1024178290 /nfs/dbraw/zinc/17/82/90/1024178290.db2.gz JXBSTRHBVCVRRC-UHFFFAOYSA-N -1 0 339.420 3.505 20 0 EHADRM CCOC1CC(CSc2n[n-]c(=NC3CCCCC3)s2)C1 ZINC000505448582 1024225495 /nfs/dbraw/zinc/22/54/95/1024225495.db2.gz BVVLLLAHIFPDRM-UHFFFAOYSA-N -1 0 327.519 3.612 20 0 EHADRM CCn1nc(C)c(S(=O)(=O)[N-]c2ccc3oc(C)c(C)c3c2)c1C ZINC000330056166 1024303961 /nfs/dbraw/zinc/30/39/61/1024303961.db2.gz VLGXTQSLHXDPAH-UHFFFAOYSA-N -1 0 347.440 3.684 20 0 EHADRM CC[C@@H](CC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000193095733 1024306949 /nfs/dbraw/zinc/30/69/49/1024306949.db2.gz YSAPPKQTDBCKAK-HRAATJIYSA-N -1 0 339.435 3.729 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2nccc3ccccc32)cc1)C(=O)[O-] ZINC000191447315 1024323921 /nfs/dbraw/zinc/32/39/21/1024323921.db2.gz KRJDUEKBONOBAF-ZDUSSCGKSA-N -1 0 334.375 3.750 20 0 EHADRM CC[C@@]1(CNC(=O)c2ccc(Cl)c([O-])c2)OCCc2ccccc21 ZINC001141777613 1024374730 /nfs/dbraw/zinc/37/47/30/1024374730.db2.gz MNXYZLVZWCOMLM-IBGZPJMESA-N -1 0 345.826 3.654 20 0 EHADRM CCOc1cc(-c2ccccc2)sc1C(=O)NC[C@H](C)CC(=O)[O-] ZINC000262219824 1024387053 /nfs/dbraw/zinc/38/70/53/1024387053.db2.gz MJGLBNJDSHTQJF-GFCCVEGCSA-N -1 0 347.436 3.654 20 0 EHADRM Cc1ccccc1C1(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CCCCC1 ZINC000194485691 1024418804 /nfs/dbraw/zinc/41/88/04/1024418804.db2.gz MJCFYHGBQANMKU-JKSUJKDBSA-N -1 0 329.440 3.566 20 0 EHADRM CSc1ccc(CN=c2[n-]nc(Cc3cccc(F)c3)o2)cc1 ZINC000346131233 1024434710 /nfs/dbraw/zinc/43/47/10/1024434710.db2.gz NMKQVHOKZURDKD-UHFFFAOYSA-N -1 0 329.400 3.555 20 0 EHADRM Cc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1C(=O)[O-] ZINC000320542201 1024440559 /nfs/dbraw/zinc/44/05/59/1024440559.db2.gz HCWAMHJUPLAVOL-UHFFFAOYSA-N -1 0 333.409 3.617 20 0 EHADRM Cc1ccccc1NCCC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000909520430 1024447475 /nfs/dbraw/zinc/44/74/75/1024447475.db2.gz PWXSAJMJKDLTPJ-OAHLLOKOSA-N -1 0 340.423 3.699 20 0 EHADRM CSc1ccc(NS(=O)(=O)c2cccc3ncccc32)cc1 ZINC000120014860 1033214951 /nfs/dbraw/zinc/21/49/51/1033214951.db2.gz KHYLPEWIKBTIQJ-UHFFFAOYSA-N -1 0 330.434 3.758 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000277310026 1024544901 /nfs/dbraw/zinc/54/49/01/1024544901.db2.gz NJTKBHRPWQIKCJ-AWEZNQCLSA-N -1 0 336.432 3.928 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)C(C)(C)C(=O)[O-])cn2)cc1C ZINC000514603386 1024598481 /nfs/dbraw/zinc/59/84/81/1024598481.db2.gz LPKGEQPNLCIXNO-UHFFFAOYSA-N -1 0 328.368 3.540 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccsc2)ccc1-c1ccncc1 ZINC000427640434 1024615738 /nfs/dbraw/zinc/61/57/38/1024615738.db2.gz AXJYNYLABVPBRR-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM Cc1ccc(NC(=O)CSCc2ccc(F)cc2)cc1C(=O)[O-] ZINC000320739843 1024617542 /nfs/dbraw/zinc/61/75/42/1024617542.db2.gz VWLZGKVRTYKCME-UHFFFAOYSA-N -1 0 333.384 3.704 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)cn1 ZINC000431307663 1024638394 /nfs/dbraw/zinc/63/83/94/1024638394.db2.gz HGJRUNFBEAMNBF-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc(OC(F)F)cn1 ZINC000427654783 1024695582 /nfs/dbraw/zinc/69/55/82/1024695582.db2.gz PFLLSGXUPDVNLC-UHFFFAOYSA-N -1 0 342.367 3.607 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)Nc1ccc(COC2CCCC2)cc1)C(=O)[O-] ZINC000514723440 1024696065 /nfs/dbraw/zinc/69/60/65/1024696065.db2.gz OFNATWRWMMPPRU-DYVFJYSZSA-N -1 0 348.443 3.767 20 0 EHADRM CCOc1ccc(C[C@@H](C)C(=O)Nc2cc(C(C)=O)ccc2[O-])cc1 ZINC000665410205 1024702704 /nfs/dbraw/zinc/70/27/04/1024702704.db2.gz BZUONHCMRZKNFX-CYBMUJFWSA-N -1 0 341.407 3.811 20 0 EHADRM O=C(NC1CCCC1)c1ccc(NCc2ccc(O)c(F)c2)cc1 ZINC000895129966 1024704385 /nfs/dbraw/zinc/70/43/85/1024704385.db2.gz LFRBFOPVLFJWAP-UHFFFAOYSA-N -1 0 328.387 3.816 20 0 EHADRM CO[C@@H](C)c1nc(=NC(=O)N[C@@H](C)CCC2CCCCC2)s[n-]1 ZINC000514818927 1024776188 /nfs/dbraw/zinc/77/61/88/1024776188.db2.gz QNGJIAWQCSYNNL-RYUDHWBXSA-N -1 0 340.493 3.538 20 0 EHADRM CC(C)CCn1ncc([N-]S(=O)(=O)c2ccsc2)c1C(C)C ZINC000507979189 1024803580 /nfs/dbraw/zinc/80/35/80/1024803580.db2.gz MCXBUNSLKDCETG-UHFFFAOYSA-N -1 0 341.502 3.915 20 0 EHADRM CCCc1cc(=O)[nH]c(C(=Cc2ccc(NC(C)=O)cc2)CC)n1 ZINC000435340631 1024813125 /nfs/dbraw/zinc/81/31/25/1024813125.db2.gz LBJACMQRHFYSQH-RVDMUPIBSA-N -1 0 325.412 3.631 20 0 EHADRM CN(C(=O)NCc1ccc(Cl)cc1Cl)C1(C(=O)[O-])CCCC1 ZINC000684710444 1024844440 /nfs/dbraw/zinc/84/44/40/1024844440.db2.gz IUNSXIOWXDXVIV-UHFFFAOYSA-N -1 0 345.226 3.532 20 0 EHADRM O=S(=O)([N-]c1ccc2c(Cl)cccc2n1)c1ccccc1F ZINC000508081244 1024881713 /nfs/dbraw/zinc/88/17/13/1024881713.db2.gz BVELVABHWCNDLJ-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM C[C@H](NC(=O)N(C)C1(C(=O)[O-])CCCC1)c1cc2ccccc2o1 ZINC000684714529 1024898703 /nfs/dbraw/zinc/89/87/03/1024898703.db2.gz LQLIQRXSPGNCFD-LBPRGKRZSA-N -1 0 330.384 3.533 20 0 EHADRM CC(C)CCc1noc(CN2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])n1 ZINC000514952077 1024928133 /nfs/dbraw/zinc/92/81/33/1024928133.db2.gz SJJZWTGAGFTQFA-CVEARBPZSA-N -1 0 349.475 3.514 20 0 EHADRM Cc1cnc(C(=O)Nc2ccc(Cl)cc2OC(F)F)c([O-])c1 ZINC000428006752 1024935146 /nfs/dbraw/zinc/93/51/46/1024935146.db2.gz PUBJLZVVFOXYJO-UHFFFAOYSA-N -1 0 328.702 3.603 20 0 EHADRM C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474432833 1024960112 /nfs/dbraw/zinc/96/01/12/1024960112.db2.gz NUBKRGYMOITVPK-DYZYQPBXSA-N -1 0 337.778 3.678 20 0 EHADRM CC[C@@H](NC(=O)N1CCCCC[C@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000684719159 1024967163 /nfs/dbraw/zinc/96/71/63/1024967163.db2.gz HJBMEXMGCKVHHC-CABCVRRESA-N -1 0 338.835 3.830 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)[nH]n2)cc1F ZINC000474434814 1024967134 /nfs/dbraw/zinc/96/71/34/1024967134.db2.gz UBSZWNJMJTVUMM-UHFFFAOYSA-N -1 0 337.420 3.706 20 0 EHADRM CCOc1cc2c(cc1NC(=O)c1cccc(F)c1[O-])O[C@@H](C)C2 ZINC001125578032 1024969457 /nfs/dbraw/zinc/96/94/57/1024969457.db2.gz KBQHAOAEPNRAKN-JTQLQIEISA-N -1 0 331.343 3.506 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N(CC(=O)[O-])C1CCCC1 ZINC000684720623 1024978005 /nfs/dbraw/zinc/97/80/05/1024978005.db2.gz FFGKZCWRHMWWTG-OAHLLOKOSA-N -1 0 348.443 3.640 20 0 EHADRM COc1ccccc1C1(C(=O)Nc2cc(F)cc(Cl)c2[O-])CC1 ZINC000474441952 1024978307 /nfs/dbraw/zinc/97/83/07/1024978307.db2.gz SDKLUWJYHXCSGR-UHFFFAOYSA-N -1 0 335.762 3.864 20 0 EHADRM CC(C)c1cccc(-c2ccc(C(=O)N3CC[C@@](F)(C(=O)[O-])C3)o2)c1 ZINC000262765074 1033253953 /nfs/dbraw/zinc/25/39/53/1033253953.db2.gz LNYWDKYZXXIALY-IBGZPJMESA-N -1 0 345.370 3.709 20 0 EHADRM O=C([O-])c1cccc(NC(=O)C2(c3cccc(F)c3)CCCC2)c1 ZINC000013094866 1025011489 /nfs/dbraw/zinc/01/14/89/1025011489.db2.gz BGUPTZGSZIVMNQ-UHFFFAOYSA-N -1 0 327.355 3.974 20 0 EHADRM CCc1ccnc(CN=c2[n-]nc(-c3ccccc3Cl)s2)c1 ZINC000435589387 1025022456 /nfs/dbraw/zinc/02/24/56/1025022456.db2.gz RYVWOMXNPIKKFN-UHFFFAOYSA-N -1 0 330.844 3.850 20 0 EHADRM CC(C)c1n[n-]c(=N[C@H]2C[C@@H]2c2ccccc2OC(F)F)s1 ZINC000435600299 1025041249 /nfs/dbraw/zinc/04/12/49/1025041249.db2.gz AGSQSYIMGAHRMN-MNOVXSKESA-N -1 0 325.384 3.653 20 0 EHADRM C[C@@H](NC(=O)N([C@H](C)C(=O)[O-])C1CCC1)c1ccc(F)cc1Cl ZINC000684736371 1025118897 /nfs/dbraw/zinc/11/88/97/1025118897.db2.gz RTENHZJSEQBVAG-NXEZZACHSA-N -1 0 342.798 3.577 20 0 EHADRM Cc1cc(Cl)c2ccccc2c1NC(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000417797924 1025135290 /nfs/dbraw/zinc/13/52/90/1025135290.db2.gz TVGPCYCORSFSNG-LLVKDONJSA-N -1 0 334.803 3.986 20 0 EHADRM COc1ccc(NC(=O)N(CC(=O)[O-])C2CCCCC2)cc1Cl ZINC000684741060 1025158027 /nfs/dbraw/zinc/15/80/27/1025158027.db2.gz HGEQEENNHMBVMA-UHFFFAOYSA-N -1 0 340.807 3.600 20 0 EHADRM Cc1c(C(=O)[O-])sc2ncnc(NC[C@H]3CCC(F)(F)C3)c12 ZINC000515302059 1025161649 /nfs/dbraw/zinc/16/16/49/1025161649.db2.gz ITDYCBMBFMMSPD-QMMMGPOBSA-N -1 0 327.356 3.545 20 0 EHADRM C/C=C/C[C@H](NC(=O)Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)[O-] ZINC000684742500 1025186862 /nfs/dbraw/zinc/18/68/62/1025186862.db2.gz SWYQIQAJJMWDMB-DCKQQPRJSA-N -1 0 336.391 3.799 20 0 EHADRM C/C=C/C[C@@H](NC(=O)Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)[O-] ZINC000684742503 1025187321 /nfs/dbraw/zinc/18/73/21/1025187321.db2.gz SWYQIQAJJMWDMB-ZMUQKWFASA-N -1 0 336.391 3.799 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)CCCC1 ZINC000074390763 1025201735 /nfs/dbraw/zinc/20/17/35/1025201735.db2.gz ZCALXAPZAOMVLG-INIZCTEOSA-N -1 0 335.831 3.942 20 0 EHADRM CCOc1ccc(S(=O)(=O)Nc2cc(Cl)cc(F)c2F)cc1 ZINC000442213694 1025216643 /nfs/dbraw/zinc/21/66/43/1025216643.db2.gz LEFKOBYAYLVXOV-UHFFFAOYSA-N -1 0 347.770 3.818 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)CCSc1ccccc1 ZINC000262260912 1025257422 /nfs/dbraw/zinc/25/74/22/1025257422.db2.gz YXLLQMKMQMRDCP-KRWDZBQOSA-N -1 0 343.448 3.809 20 0 EHADRM CC[C@H](NC(=O)N1CC[C@@H](C)C[C@@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000515547897 1025340724 /nfs/dbraw/zinc/34/07/24/1025340724.db2.gz VARQBRUCFNEECB-BYCMXARLSA-N -1 0 338.835 3.686 20 0 EHADRM Cc1ccc(-c2[n-][nH]c(=NC(=O)C(C)(C)c3ccc(C)cc3)c2C)o1 ZINC000521347232 1025343081 /nfs/dbraw/zinc/34/30/81/1025343081.db2.gz RBFHAMBXRXARFA-UHFFFAOYSA-N -1 0 337.423 3.933 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000515655686 1025438722 /nfs/dbraw/zinc/43/87/22/1025438722.db2.gz MRHKPDLWAGMTDO-QGZVFWFLSA-N -1 0 333.428 3.831 20 0 EHADRM CCCc1cc(C(=O)N=c2nc([C@H](C)OC)[n-]s2)ccc1Cl ZINC000511084837 1025447742 /nfs/dbraw/zinc/44/77/42/1025447742.db2.gz GRNDPYSJNTYOCZ-VIFPVBQESA-N -1 0 339.848 3.526 20 0 EHADRM CCCc1cc(C(=O)N=c2nc([C@@H](C)OC)[n-]s2)ccc1Cl ZINC000511084836 1025447969 /nfs/dbraw/zinc/44/79/69/1025447969.db2.gz GRNDPYSJNTYOCZ-SECBINFHSA-N -1 0 339.848 3.526 20 0 EHADRM Cc1cc([N-]C(=O)c2nc([C@@H](c3cccc(C)c3)C(C)C)no2)no1 ZINC000685395461 1033287512 /nfs/dbraw/zinc/28/75/12/1033287512.db2.gz TZZBRAYSWFEDKP-OAHLLOKOSA-N -1 0 340.383 3.715 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)s1 ZINC000436263960 1025523430 /nfs/dbraw/zinc/52/34/30/1025523430.db2.gz UJOXVIPPWDDWPN-MQMHXKEQSA-N -1 0 348.447 3.509 20 0 EHADRM Cc1nc(S(=O)(=O)[N-]c2ccc(Cl)cc2-c2ccccc2)c[nH]1 ZINC000442843035 1025529208 /nfs/dbraw/zinc/52/92/08/1025529208.db2.gz RPLQUXLSCUJTMP-UHFFFAOYSA-N -1 0 347.827 3.839 20 0 EHADRM CC(C)CCC[C@H](C)NC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000391964640 1025537559 /nfs/dbraw/zinc/53/75/59/1025537559.db2.gz NRTLBXIABUSYRL-WMLDXEAASA-N -1 0 332.444 3.595 20 0 EHADRM O=S(=O)([N-]c1ccc2ccoc2c1)c1cc(F)c(F)cc1F ZINC000442854066 1025550436 /nfs/dbraw/zinc/55/04/36/1025550436.db2.gz VQLRGMGLWXQHES-UHFFFAOYSA-N -1 0 327.283 3.651 20 0 EHADRM Cc1c(S(=O)(=O)[N-]c2scnc2C(C)C)c2ccccc2n1C ZINC000451101528 1025560710 /nfs/dbraw/zinc/56/07/10/1025560710.db2.gz CXZFMSPHAHVXBX-UHFFFAOYSA-N -1 0 349.481 3.867 20 0 EHADRM Cc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])c(F)c1 ZINC000436319363 1025582660 /nfs/dbraw/zinc/58/26/60/1025582660.db2.gz RQBSSYSATAMACO-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000521719401 1025621020 /nfs/dbraw/zinc/62/10/20/1025621020.db2.gz HAMKTONBYGSOEE-GRDTXPOLSA-N -1 0 335.513 3.859 20 0 EHADRM C[C@H]1CCN(C(=O)N=c2[n-]nc(-c3ccsc3)s2)CC12CCC2 ZINC000329153379 1025630986 /nfs/dbraw/zinc/63/09/86/1025630986.db2.gz UETNPRHJNJLXHD-NSHDSACASA-N -1 0 348.497 3.733 20 0 EHADRM Cc1cncc(CN=c2[n-]c(-c3cc(Cl)cc(Cl)c3)no2)c1 ZINC000582232046 1025635985 /nfs/dbraw/zinc/63/59/85/1025635985.db2.gz BIUTWXATFKAXTD-UHFFFAOYSA-N -1 0 335.194 3.781 20 0 EHADRM CC(C)CN=c1[n-]nc(SC[C@H]2CCC3(CCCC3)O2)s1 ZINC000530346557 1025685680 /nfs/dbraw/zinc/68/56/80/1025685680.db2.gz FKCLHAVYBUFZNI-GFCCVEGCSA-N -1 0 327.519 3.612 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CCC[C@]2(CCSC2)C1 ZINC000515867446 1025690143 /nfs/dbraw/zinc/69/01/43/1025690143.db2.gz LZYUQQRHRBCJBL-HNNXBMFYSA-N -1 0 345.386 3.770 20 0 EHADRM CCc1n[n-]c(=NC(=O)N(Cc2cccc(C)c2)CC(C)C)s1 ZINC000521816529 1025703996 /nfs/dbraw/zinc/70/39/96/1025703996.db2.gz VDYQJFAEPGBGJA-UHFFFAOYSA-N -1 0 332.473 3.521 20 0 EHADRM CCCC[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000347253329 1025733581 /nfs/dbraw/zinc/73/35/81/1025733581.db2.gz AFOIMAADVHGYRY-WZRBSPASSA-N -1 0 344.238 3.857 20 0 EHADRM Cc1cc(N(C)C)ccc1NS(=O)(=O)c1cccc(Cl)c1C ZINC000521901592 1025755709 /nfs/dbraw/zinc/75/57/09/1025755709.db2.gz PYMOFXKJAFOYBP-UHFFFAOYSA-N -1 0 338.860 3.824 20 0 EHADRM CCCC[C@@H](NC(=O)[C@@H](Oc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000347263130 1025763447 /nfs/dbraw/zinc/76/34/47/1025763447.db2.gz QAJCROPJMIAPOO-MSOLQXFVSA-N -1 0 341.407 3.566 20 0 EHADRM C[C@@](CC(=O)N[C@@H]1C[C@H]1C1CCCCC1)(C(=O)[O-])c1ccccc1 ZINC000515964850 1025797906 /nfs/dbraw/zinc/79/79/06/1025797906.db2.gz JSSOSRDZAMQAQQ-QKLQHJQFSA-N -1 0 329.440 3.504 20 0 EHADRM Cc1cc(F)cc([C@@]2(F)CCN(C(=O)c3ccc(F)cc3[O-])C2)c1 ZINC000436516634 1025814641 /nfs/dbraw/zinc/81/46/41/1025814641.db2.gz UVJYVIMCYJQNAR-GOSISDBHSA-N -1 0 335.325 3.690 20 0 EHADRM O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(F)c([O-])c(F)c1 ZINC000436522970 1025823691 /nfs/dbraw/zinc/82/36/91/1025823691.db2.gz PDQANVUILDQRDZ-WCBMZHEXSA-N -1 0 337.288 3.769 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCC[C@H](Cc2ccccc2)C1 ZINC000436522513 1025823805 /nfs/dbraw/zinc/82/38/05/1025823805.db2.gz LVYUCUTZZYQLII-CQSZACIVSA-N -1 0 331.362 3.765 20 0 EHADRM c1ccc(Oc2ccc(CN=c3nc(-c4ccccc4)o[n-]3)cn2)cc1 ZINC000475057300 1025824522 /nfs/dbraw/zinc/82/45/22/1025824522.db2.gz VFCJDQZKPDJSQW-UHFFFAOYSA-N -1 0 344.374 3.958 20 0 EHADRM O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1cc(Cl)ccc1[O-] ZINC000436522670 1025825273 /nfs/dbraw/zinc/82/52/73/1025825273.db2.gz WIYDVUORDSKNOE-HNNXBMFYSA-N -1 0 347.798 3.856 20 0 EHADRM C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000436528601 1025835037 /nfs/dbraw/zinc/83/50/37/1025835037.db2.gz XSKAARQHBFFHGW-QMMMGPOBSA-N -1 0 339.288 3.708 20 0 EHADRM COc1ccc(C(=O)N(Cc2ccccc2F)CC(C)C)c(O)c1 ZINC000436536184 1025849770 /nfs/dbraw/zinc/84/97/70/1025849770.db2.gz AEGYQXWICJRKAD-UHFFFAOYSA-N -1 0 331.387 3.838 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)Nc1cc(Cl)c(OC)c(Cl)c1)C(=O)[O-] ZINC000582338760 1025889397 /nfs/dbraw/zinc/88/93/97/1025889397.db2.gz GSGFFXBLGLNCFF-HQJQHLMTSA-N -1 0 349.214 3.623 20 0 EHADRM COC1CCC(CNC(=O)c2c([O-])cc(Cl)cc2Cl)CC1 ZINC000436572648 1025905855 /nfs/dbraw/zinc/90/58/55/1025905855.db2.gz FEABROWPMSIALR-UHFFFAOYSA-N -1 0 332.227 3.634 20 0 EHADRM CC(C)(CO)CCCNC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436582997 1025921985 /nfs/dbraw/zinc/92/19/85/1025921985.db2.gz FPIZDGPCXBIHQD-UHFFFAOYSA-N -1 0 335.831 3.727 20 0 EHADRM COC1CCC(C)(CNC(=O)c2cc(F)c([O-])c(Cl)c2)CC1 ZINC000436629963 1025957087 /nfs/dbraw/zinc/95/70/87/1025957087.db2.gz LVUQLVRTBDTYLE-UHFFFAOYSA-N -1 0 329.799 3.510 20 0 EHADRM Cc1ccccc1-c1csc(NC(=O)c2ccc(O)cc2O)n1 ZINC000436635910 1025965383 /nfs/dbraw/zinc/96/53/83/1025965383.db2.gz PGVMHCHFTXSCES-UHFFFAOYSA-N -1 0 326.377 3.782 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccc(C(F)(F)F)cn2)c1 ZINC000436651817 1025976832 /nfs/dbraw/zinc/97/68/32/1025976832.db2.gz XZYJHSWYPVESCN-UHFFFAOYSA-N -1 0 338.285 3.651 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CCc2cc(F)ccc2F)c1 ZINC000436652679 1025980288 /nfs/dbraw/zinc/98/02/88/1025980288.db2.gz PSDXFEFUCDGWJI-UHFFFAOYSA-N -1 0 333.334 3.834 20 0 EHADRM COc1nc(C(F)(F)F)ccc1-c1cc(C(=O)[O-])n(C(C)C)c1 ZINC000582371415 1025987358 /nfs/dbraw/zinc/98/73/58/1025987358.db2.gz YBMLKLPMQAGXIB-UHFFFAOYSA-N -1 0 328.290 3.857 20 0 EHADRM O=C(NCC1(C(F)(F)F)CC1)c1c([O-])cc(Cl)cc1Cl ZINC000436657548 1025987833 /nfs/dbraw/zinc/98/78/33/1025987833.db2.gz JCJHVEJHWXAOEG-UHFFFAOYSA-N -1 0 328.117 3.771 20 0 EHADRM O=C(Nc1c[nH]nc1-c1ccccc1F)c1ccc(Cl)cc1[O-] ZINC000436645060 1025990251 /nfs/dbraw/zinc/99/02/51/1025990251.db2.gz ALGANVBNEDNLFZ-UHFFFAOYSA-N -1 0 331.734 3.827 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H]2CSc3ccccc32)c1 ZINC000436644563 1025994480 /nfs/dbraw/zinc/99/44/80/1025994480.db2.gz AKGRORAIIXSLRL-ZDUSSCGKSA-N -1 0 327.405 3.813 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)Cc2ccccc2OC(F)F)c1 ZINC000436648803 1025999883 /nfs/dbraw/zinc/99/98/83/1025999883.db2.gz UZRNBLTVMYWJAB-UHFFFAOYSA-N -1 0 349.333 3.768 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCCN2c2ccccc2)c1 ZINC000436658585 1026019748 /nfs/dbraw/zinc/01/97/48/1026019748.db2.gz OPSZTPAFODNRSF-KRWDZBQOSA-N -1 0 338.407 3.592 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CCC(=O)c2ccc(C)c(C)c2)c1 ZINC000436676915 1026025943 /nfs/dbraw/zinc/02/59/43/1026025943.db2.gz AOUOXJIDQYCNIL-UHFFFAOYSA-N -1 0 339.391 3.813 20 0 EHADRM CCOc1cccc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)c1 ZINC000443419870 1026029189 /nfs/dbraw/zinc/02/91/89/1026029189.db2.gz SXFQEAVPJSZJQA-UHFFFAOYSA-N -1 0 344.392 3.541 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2cccc(CC(F)(F)F)c2)[C@@H](C(=O)[O-])C1 ZINC000516139982 1026041258 /nfs/dbraw/zinc/04/12/58/1026041258.db2.gz VEALHYKXWNZBAI-GXFFZTMASA-N -1 0 344.333 3.508 20 0 EHADRM CCc1cccc(Cl)c1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[nH]1 ZINC000443440366 1026043435 /nfs/dbraw/zinc/04/34/35/1026043435.db2.gz IQNGCAYSWDQZHS-VQHVLOKHSA-N -1 0 346.814 3.894 20 0 EHADRM C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1[O-])c1ccncc1F ZINC000436692986 1026050482 /nfs/dbraw/zinc/05/04/82/1026050482.db2.gz ZNJZXIPYKNVNIS-SSDOTTSWSA-N -1 0 329.158 3.724 20 0 EHADRM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cccc4ccsc43)cc2o1 ZINC000443451334 1026057132 /nfs/dbraw/zinc/05/71/32/1026057132.db2.gz GZCWCFWBDMHPQE-UHFFFAOYSA-N -1 0 346.389 3.549 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2sccc2Br)cc1 ZINC000042350492 1026083417 /nfs/dbraw/zinc/08/34/17/1026083417.db2.gz ZPZAJUOCEHWXMV-UHFFFAOYSA-N -1 0 346.271 3.874 20 0 EHADRM O=C(Nc1nnc(-c2ccco2)s1)c1cc(F)cc(Cl)c1[O-] ZINC000436737124 1026102678 /nfs/dbraw/zinc/10/26/78/1026102678.db2.gz IITGNKZZOXVJET-UHFFFAOYSA-N -1 0 339.735 3.549 20 0 EHADRM O=C(NCc1ccsc1)c1cc(Br)cc(Cl)c1[O-] ZINC000436760304 1026130711 /nfs/dbraw/zinc/13/07/11/1026130711.db2.gz APMYIXGNMMGREF-UHFFFAOYSA-N -1 0 346.633 3.800 20 0 EHADRM O=C(Nc1ccccc1OC1CCCC1)c1cc(=O)[nH]c(C2CC2)n1 ZINC000582429213 1026241420 /nfs/dbraw/zinc/24/14/20/1026241420.db2.gz MXRZOUDNCLWGGF-UHFFFAOYSA-N -1 0 339.395 3.633 20 0 EHADRM CSCC1CCC(NS(=O)(=O)c2sccc2Cl)CC1 ZINC000451740882 1026255504 /nfs/dbraw/zinc/25/55/04/1026255504.db2.gz MKMVPFSXSQIONR-UHFFFAOYSA-N -1 0 339.935 3.602 20 0 EHADRM O=C(CCCc1csc2ccccc12)N=c1ccc(C2CC2)n[n-]1 ZINC000530790544 1026290108 /nfs/dbraw/zinc/29/01/08/1026290108.db2.gz NCGNAULKTDVTRC-UHFFFAOYSA-N -1 0 337.448 3.952 20 0 EHADRM COc1ccccc1-c1cccc(NC(=O)CC2(C(=O)[O-])CCC2)c1 ZINC000262443068 1026320334 /nfs/dbraw/zinc/32/03/34/1026320334.db2.gz CWFUJXPCIRAYPW-UHFFFAOYSA-N -1 0 339.391 3.946 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1cn[nH]c1-c1ccsc1 ZINC000444329060 1026331389 /nfs/dbraw/zinc/33/13/89/1026331389.db2.gz JSHQSXMHFHRKOA-UHFFFAOYSA-N -1 0 337.763 3.889 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc(OC3CCCC3)c(F)c2)CCC1 ZINC000262460206 1026358906 /nfs/dbraw/zinc/35/89/06/1026358906.db2.gz FRQJXIAIPVRWPZ-UHFFFAOYSA-N -1 0 335.375 3.731 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)OCc2ccc(F)cc2)c1 ZINC000451894565 1026361641 /nfs/dbraw/zinc/36/16/41/1026361641.db2.gz SBCDJGNQIMIQRV-GFCCVEGCSA-N -1 0 345.370 3.668 20 0 EHADRM CC(C)(NC(=O)N=c1nc(-c2ccccc2)[n-]s1)c1ccccc1 ZINC000530865315 1026367067 /nfs/dbraw/zinc/36/70/67/1026367067.db2.gz YVNVEDBYPJDDEM-UHFFFAOYSA-N -1 0 338.436 3.684 20 0 EHADRM CCCc1nc(=NC(=O)N(Cc2ccccc2)CC(C)C)s[n-]1 ZINC000582515720 1026462710 /nfs/dbraw/zinc/46/27/10/1026462710.db2.gz ZJGQYOONJMIFNJ-UHFFFAOYSA-N -1 0 332.473 3.603 20 0 EHADRM Cc1cc(Nc2cccc(C(=O)NCC(C)C)c2)cc(C(=O)[O-])c1 ZINC001211547558 1026480934 /nfs/dbraw/zinc/48/09/34/1026480934.db2.gz SLIBRHDBROAUJB-UHFFFAOYSA-N -1 0 326.396 3.823 20 0 EHADRM Cc1cc(C)c(CNC(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)c(C)c1 ZINC000582523713 1026496337 /nfs/dbraw/zinc/49/63/37/1026496337.db2.gz ZOPCTZABZAARPK-GOSISDBHSA-N -1 0 340.423 3.579 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC[C@](C)(F)C3)n2)cc1 ZINC000452199810 1026565854 /nfs/dbraw/zinc/56/58/54/1026565854.db2.gz XJZGJOPMYKZYFL-IBGZPJMESA-N -1 0 345.418 3.666 20 0 EHADRM O=C(Nc1cccc(NC(=O)C2CC2)c1)c1ccc([O-])c(Cl)c1 ZINC000031135402 1026571918 /nfs/dbraw/zinc/57/19/18/1026571918.db2.gz ZBBJKWLVYHJAQL-UHFFFAOYSA-N -1 0 330.771 3.646 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)c1cccc(C2CC2)c1)c1cccc(F)c1 ZINC000563422458 1026841598 /nfs/dbraw/zinc/84/15/98/1026841598.db2.gz HFRZLKAHBWWAAI-HXUWFJFHSA-N -1 0 341.382 3.823 20 0 EHADRM CN(CC(C)(C)C)C(=O)N(CCCC(=O)[O-])Cc1ccc(F)cc1 ZINC000558693222 1026861080 /nfs/dbraw/zinc/86/10/80/1026861080.db2.gz UMXCJWZXYDSTAL-UHFFFAOYSA-N -1 0 338.423 3.590 20 0 EHADRM Cc1cc(Cl)c(NC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1Cl ZINC000128398860 1026977238 /nfs/dbraw/zinc/97/72/38/1026977238.db2.gz OHCIBCPAXLYRME-DTWKUNHWSA-N -1 0 331.199 3.677 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2nc(C(C)(C)C)co2)c1 ZINC000291897755 1027031093 /nfs/dbraw/zinc/03/10/93/1027031093.db2.gz PYOZHGGTGOJEDP-UHFFFAOYSA-N -1 0 345.424 3.630 20 0 EHADRM CCO[C@H]1CCN(C(=O)c2ccc(Cl)c(Cl)c2[O-])C[C@@H]1C ZINC000452826718 1027044910 /nfs/dbraw/zinc/04/49/10/1027044910.db2.gz LLQQERQIEVZXSH-CABZTGNLSA-N -1 0 332.227 3.586 20 0 EHADRM CCc1ccc([C@@H]2CN([C@H](C(=O)[O-])c3ccccc3F)CCO2)cc1 ZINC000582729367 1027079334 /nfs/dbraw/zinc/07/93/34/1027079334.db2.gz BJZKZBFMULBGAV-OALUTQOASA-N -1 0 343.398 3.587 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2c(C)noc2-c2ccccc2)c(C)o1 ZINC000126491039 1027209721 /nfs/dbraw/zinc/20/97/21/1027209721.db2.gz RCBDYCWCNBDFTE-UHFFFAOYSA-N -1 0 332.381 3.661 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)cn1 ZINC000614738255 1027229234 /nfs/dbraw/zinc/22/92/34/1027229234.db2.gz QYFARMPROSEPIV-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000126855141 1027248489 /nfs/dbraw/zinc/24/84/89/1027248489.db2.gz CLITXWNMRRTQAX-UHFFFAOYSA-N -1 0 328.393 3.814 20 0 EHADRM [O-]c1c(-c2nc(C[C@@H]3CCCO3)no2)cc(Cl)c2ccccc12 ZINC000273415168 1027417339 /nfs/dbraw/zinc/41/73/39/1027417339.db2.gz NPTIJYQJSFIFKY-JTQLQIEISA-N -1 0 330.771 3.970 20 0 EHADRM O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc([O-])c(Cl)c1 ZINC000273417165 1027419137 /nfs/dbraw/zinc/41/91/37/1027419137.db2.gz RCLVMFLFKAWMAS-RHSMWYFYSA-N -1 0 349.789 3.835 20 0 EHADRM CCOc1ccc(/C=C(\C(=O)C(=O)[O-])c2ccc3ccccc3n2)cc1 ZINC000007587086 1027477390 /nfs/dbraw/zinc/47/73/90/1027477390.db2.gz SGPVUIZQBKMMDA-LGMDPLHJSA-N -1 0 347.370 3.828 20 0 EHADRM Cc1cc(C(=O)N(CCC(=O)[O-])Cc2ccccc2)ccc1Cl ZINC000685018365 1027528706 /nfs/dbraw/zinc/52/87/06/1027528706.db2.gz CFZKTLFWSSJDIR-UHFFFAOYSA-N -1 0 331.799 3.766 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cn2)cc1 ZINC000261394984 1027612722 /nfs/dbraw/zinc/61/27/22/1027612722.db2.gz IVOLPZHCBNQHPP-UHFFFAOYSA-N -1 0 340.404 3.983 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000414459404 1027615724 /nfs/dbraw/zinc/61/57/24/1027615724.db2.gz XAZJQEDEMAKATP-GFCCVEGCSA-N -1 0 329.400 3.685 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCC[C@H]2CCc2ccccc2)C1 ZINC000414459451 1027615786 /nfs/dbraw/zinc/61/57/86/1027615786.db2.gz XFRVQTGAVUCYJC-KSZLIROESA-N -1 0 329.440 3.501 20 0 EHADRM CC1(C(=O)[O-])CCN(Cc2cc(Br)ccc2Cl)CC1 ZINC000232844043 1027621257 /nfs/dbraw/zinc/62/12/57/1027621257.db2.gz ODEMJQHYSOLJMU-UHFFFAOYSA-N -1 0 346.652 3.789 20 0 EHADRM Cc1ccccc1C(C)(C)C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000532664762 1027645194 /nfs/dbraw/zinc/64/51/94/1027645194.db2.gz HKKVXDBPJZFRHH-UHFFFAOYSA-N -1 0 343.477 3.913 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@@H]2CCCc3sccc32)cc1F ZINC000422572526 1027803894 /nfs/dbraw/zinc/80/38/94/1027803894.db2.gz JUCRGHZQUXQRFL-CYBMUJFWSA-N -1 0 333.384 3.573 20 0 EHADRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cccc(OC2CCCCC2)c1 ZINC000422581492 1027807296 /nfs/dbraw/zinc/80/72/96/1027807296.db2.gz QCWVEXKZJSLCHA-HOCLYGCPSA-N -1 0 345.439 3.723 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)CCc2ccccc2)s[n-]1 ZINC000472267541 1027860871 /nfs/dbraw/zinc/86/08/71/1027860871.db2.gz HZCHIKVMHREDBE-UHFFFAOYSA-N -1 0 329.450 3.568 20 0 EHADRM CSc1ccccc1C(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000472267327 1027872613 /nfs/dbraw/zinc/87/26/13/1027872613.db2.gz FBVSNHGENOIHDV-UHFFFAOYSA-N -1 0 347.490 3.971 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)N=c2ccc(-c3ccccc3)n[n-]2)o1 ZINC000533452133 1027887002 /nfs/dbraw/zinc/88/70/02/1027887002.db2.gz NLISGDOGRQRIFX-CJNGLKHVSA-N -1 0 348.406 3.604 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000533444180 1027907988 /nfs/dbraw/zinc/90/79/88/1027907988.db2.gz XKJXOWNVSGDKSL-LBPRGKRZSA-N -1 0 336.395 3.713 20 0 EHADRM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000533445335 1027909837 /nfs/dbraw/zinc/90/98/37/1027909837.db2.gz YNZRPGWQOJRVKB-LBPRGKRZSA-N -1 0 336.395 3.747 20 0 EHADRM O=S(=O)([N-]c1cc(F)ccc1SCC(F)F)c1ccccc1 ZINC000523124596 1027918982 /nfs/dbraw/zinc/91/89/82/1027918982.db2.gz XTSFJIWWQAYNEV-UHFFFAOYSA-N -1 0 347.383 3.984 20 0 EHADRM O=C([O-])C1(CC(=O)N2CC3(CCCC3)c3c2cccc3F)CCC1 ZINC000262554623 1027982373 /nfs/dbraw/zinc/98/23/73/1027982373.db2.gz UOJMSEMWJFNLGL-UHFFFAOYSA-N -1 0 331.387 3.629 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2nc(Br)ccc2O)c1 ZINC001211958588 1028172408 /nfs/dbraw/zinc/17/24/08/1028172408.db2.gz YNWGOLLOIHTYAI-UHFFFAOYSA-N -1 0 343.564 3.645 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)nn1C(C)C ZINC000421174667 1028174237 /nfs/dbraw/zinc/17/42/37/1028174237.db2.gz OMUQHLNDENAHDE-UHFFFAOYSA-N -1 0 348.255 3.880 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CC[C@@H](C)C[C@@H](C)C2)n1 ZINC000502411562 1028185182 /nfs/dbraw/zinc/18/51/82/1028185182.db2.gz AFMXVLVCORVGDG-CHWSQXEVSA-N -1 0 345.418 3.534 20 0 EHADRM CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000614852205 1028211114 /nfs/dbraw/zinc/21/11/14/1028211114.db2.gz GQLAVHZAOIIFHN-UHFFFAOYSA-N -1 0 349.452 3.902 20 0 EHADRM COc1cc(Br)nc(Nc2cccc(C(=O)[O-])c2C)c1 ZINC001216658476 1028345903 /nfs/dbraw/zinc/34/59/03/1028345903.db2.gz ABDDNVHZQWYCFP-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)c3ccc(Cl)o3)s2)c1 ZINC000523719372 1028558267 /nfs/dbraw/zinc/55/82/67/1028558267.db2.gz KTBHOYFLZJDOSL-UHFFFAOYSA-N -1 0 333.800 3.743 20 0 EHADRM O=C([O-])CN(Cc1ccc(OCc2cccnc2)cc1)c1ccccc1 ZINC000347343588 1028594814 /nfs/dbraw/zinc/59/48/14/1028594814.db2.gz FVBJWHHXKSMIBK-UHFFFAOYSA-N -1 0 348.402 3.752 20 0 EHADRM O=C([O-])/C=C\c1cnc(/C=C/c2cn3cc(Cl)ccc3n2)s1 ZINC000255564842 1028611732 /nfs/dbraw/zinc/61/17/32/1028611732.db2.gz MOICCZHCVMVGJI-JGJYBARTSA-N -1 0 331.784 3.712 20 0 EHADRM COCc1ccccc1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000237171195 1028642037 /nfs/dbraw/zinc/64/20/37/1028642037.db2.gz LAEDQGROICQBOS-UHFFFAOYSA-N -1 0 341.388 3.998 20 0 EHADRM Cc1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1NC(=O)C(C)(C)C ZINC000237601656 1028655569 /nfs/dbraw/zinc/65/55/69/1028655569.db2.gz COSBZKUMGGPTQU-UHFFFAOYSA-N -1 0 348.443 3.809 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1cc(Cl)ccc1F ZINC000237604758 1028655992 /nfs/dbraw/zinc/65/59/92/1028655992.db2.gz AZJAXUGOYRSDOE-OAHLLOKOSA-N -1 0 335.762 3.733 20 0 EHADRM Cc1cc(F)ccc1NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000237564232 1028656912 /nfs/dbraw/zinc/65/69/12/1028656912.db2.gz QRDURNMVNVXUPF-NSHDSACASA-N -1 0 333.384 3.952 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1cccc(OC(F)F)c1 ZINC000237608644 1028659215 /nfs/dbraw/zinc/65/92/15/1028659215.db2.gz ZTGPLURULNZLCQ-OAHLLOKOSA-N -1 0 349.333 3.542 20 0 EHADRM Cc1cc([C@H](C)NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])c(C)o1 ZINC000237633767 1028659493 /nfs/dbraw/zinc/65/94/93/1028659493.db2.gz BJEXYPNORHMIEI-AAEUAGOBSA-N -1 0 347.436 3.953 20 0 EHADRM Oc1ccc(Nc2cn3c(cccc3Br)n2)c(F)c1F ZINC001212005269 1028664805 /nfs/dbraw/zinc/66/48/05/1028664805.db2.gz DOEXPXKWRSOKFF-UHFFFAOYSA-N -1 0 340.127 3.824 20 0 EHADRM CCc1cc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)ccc1F ZINC000504482897 1028683640 /nfs/dbraw/zinc/68/36/40/1028683640.db2.gz UDVZKSYGIVXALI-LJQANCHMSA-N -1 0 329.371 3.759 20 0 EHADRM Cc1cc(F)c(Br)cc1NC(=O)C(C)(C)CCC(=O)[O-] ZINC000634832132 1028776367 /nfs/dbraw/zinc/77/63/67/1028776367.db2.gz VTMYBEUIEKFODQ-UHFFFAOYSA-N -1 0 346.196 3.726 20 0 EHADRM C[C@H](CCNC(=O)[C@](C)(CC(=O)[O-])c1ccsc1)c1ccccc1 ZINC000634833376 1028787742 /nfs/dbraw/zinc/78/77/42/1028787742.db2.gz BVYPXKJWAVKFJY-AUUYWEPGSA-N -1 0 345.464 3.791 20 0 EHADRM CC[C@@H](NC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])C1CCCCC1 ZINC000327418736 1028799946 /nfs/dbraw/zinc/79/99/46/1028799946.db2.gz OBZRCYIOQGHGAT-MSOLQXFVSA-N -1 0 344.455 3.566 20 0 EHADRM CC[C@@H](NC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])C1CCCCC1 ZINC000327418737 1028800981 /nfs/dbraw/zinc/80/09/81/1028800981.db2.gz OBZRCYIOQGHGAT-QZTJIDSGSA-N -1 0 344.455 3.566 20 0 EHADRM Cc1ccc(C)c(C(=O)NC[C@H]2CCCCC(F)(F)C2)c1C(=O)[O-] ZINC000634837965 1028823578 /nfs/dbraw/zinc/82/35/78/1028823578.db2.gz VQFLXUPRNPDIDI-ZDUSSCGKSA-N -1 0 339.382 3.947 20 0 EHADRM C[C@H](CCNC(=O)N=c1ncn(C2CCCCC2)[n-]1)c1ccccc1 ZINC000583112329 1028857276 /nfs/dbraw/zinc/85/72/76/1028857276.db2.gz OHCFHMYNSCYZIS-OAHLLOKOSA-N -1 0 341.459 3.521 20 0 EHADRM CCC(CC)(CNC(=O)[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C)o1)C(=O)[O-] ZINC000424257035 1028915808 /nfs/dbraw/zinc/91/58/08/1028915808.db2.gz WLCLQKGXMYEISZ-RFQIPJPRSA-N -1 0 333.428 3.514 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N[C@H](C)c2ccccc2C)s1 ZINC000503009002 1028968522 /nfs/dbraw/zinc/96/85/22/1028968522.db2.gz FOOOWNOVLLTBIL-CYBMUJFWSA-N -1 0 332.473 3.884 20 0 EHADRM CC[C@@H]1CC[C@H](C)N(C(=O)N=c2[n-]nc(-c3ccsc3)s2)C1 ZINC000454547631 1029028027 /nfs/dbraw/zinc/02/80/27/1029028027.db2.gz IOWOJCAGEWZJOP-WDEREUQCSA-N -1 0 336.486 3.731 20 0 EHADRM CCSCc1ccc(NC(=O)NCC(CC)(CC)C(=O)[O-])cc1 ZINC000424382901 1029038478 /nfs/dbraw/zinc/03/84/78/1029038478.db2.gz BZDOWBMECOHUMW-UHFFFAOYSA-N -1 0 338.473 3.952 20 0 EHADRM CC(C)(CCNC(=O)Nc1cccc(-c2ccccc2)c1)C(=O)[O-] ZINC000424384019 1029040739 /nfs/dbraw/zinc/04/07/39/1029040739.db2.gz DNEFVSYDSAWVKM-UHFFFAOYSA-N -1 0 326.396 3.976 20 0 EHADRM O=C([O-])[C@H](CC(=O)N[C@H](c1cccs1)C1CC1)c1ccccc1 ZINC000634855866 1029049649 /nfs/dbraw/zinc/04/96/49/1029049649.db2.gz XXESHDYYGLNDET-PBHICJAKSA-N -1 0 329.421 3.574 20 0 EHADRM CC(C)(CCNC(=O)N(Cc1ccoc1)C1CCCCC1)C(=O)[O-] ZINC000424398725 1029050061 /nfs/dbraw/zinc/05/00/61/1029050061.db2.gz AVHUSRFZULBUTE-UHFFFAOYSA-N -1 0 336.432 3.625 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCC[C@H](CCO)CC1 ZINC000422069439 1029056418 /nfs/dbraw/zinc/05/64/18/1029056418.db2.gz IARMPHKPFYSQMA-ZDUSSCGKSA-N -1 0 347.842 3.824 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N[C@H](c2ccccc2)C(C)C)s1 ZINC000503121590 1029067160 /nfs/dbraw/zinc/06/71/60/1029067160.db2.gz VBCPCWYWRLFVEK-HNNXBMFYSA-N -1 0 332.473 3.821 20 0 EHADRM C[C@@H](NC(=O)NCCC(C)(C)C(=O)[O-])c1cc2ccccc2s1 ZINC000424450005 1029088187 /nfs/dbraw/zinc/08/81/87/1029088187.db2.gz MRBDLMLMOWOGDY-LLVKDONJSA-N -1 0 334.441 3.762 20 0 EHADRM CC[C@](CC(=O)[O-])(C(=O)N(C)[C@H](C)c1ccco1)c1ccc(C)cc1 ZINC000634859995 1029088091 /nfs/dbraw/zinc/08/80/91/1029088091.db2.gz GGSJZPTUMCURFT-FOIQADDNSA-N -1 0 343.423 3.930 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000321884764 1029109071 /nfs/dbraw/zinc/10/90/71/1029109071.db2.gz KGNBIFAWKRTCOI-BXUZGUMPSA-N -1 0 347.358 3.672 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(C(F)F)cc2)n[nH]c1C(C)C ZINC000647278566 1029109274 /nfs/dbraw/zinc/10/92/74/1029109274.db2.gz FVDSBMQYIBCIDG-UHFFFAOYSA-N -1 0 329.372 3.580 20 0 EHADRM CCSCCCc1noc(-c2cccc(Br)c2[O-])n1 ZINC000583183130 1029154145 /nfs/dbraw/zinc/15/41/45/1029154145.db2.gz WZMODBOUNFFQPL-UHFFFAOYSA-N -1 0 343.246 3.890 20 0 EHADRM CCN(C(=O)C[C@@H](C(=O)[O-])c1ccccc1)[C@@H](C)c1ccc(F)cc1 ZINC000634867866 1029173559 /nfs/dbraw/zinc/17/35/59/1029173559.db2.gz OBWUDZCBSOWZCK-KBXCAEBGSA-N -1 0 343.398 3.994 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)n[nH]c1C(C)C ZINC000647279165 1029177326 /nfs/dbraw/zinc/17/73/26/1029177326.db2.gz WGCPLNQNCUYHCA-UHFFFAOYSA-N -1 0 327.837 3.604 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cn2)sc1C ZINC000271960362 1029246832 /nfs/dbraw/zinc/24/68/32/1029246832.db2.gz RAXNMOYMWKPGMC-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)CCOc2ccccc2)c1 ZINC000272095816 1029310277 /nfs/dbraw/zinc/31/02/77/1029310277.db2.gz LVQLAOXAELOQFB-ZDUSSCGKSA-N -1 0 327.380 3.639 20 0 EHADRM Cc1cc(CN=c2[n-]nc(-c3cc(Cl)cc(Cl)c3)s2)on1 ZINC000505164243 1029312366 /nfs/dbraw/zinc/31/23/66/1029312366.db2.gz MGJXYSIBLGNEDS-UHFFFAOYSA-N -1 0 341.223 3.842 20 0 EHADRM O=S(=O)([N-]c1cccnc1-c1ccccc1)c1cc(F)cc(F)c1 ZINC000533166388 1029420908 /nfs/dbraw/zinc/42/09/08/1029420908.db2.gz DUPNWPTZJGXQOX-UHFFFAOYSA-N -1 0 346.358 3.828 20 0 EHADRM Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000272419529 1029454503 /nfs/dbraw/zinc/45/45/03/1029454503.db2.gz NGWOBCBLYUBWPK-UHFFFAOYSA-N -1 0 343.399 3.655 20 0 EHADRM CCSc1cccc([N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000505322607 1029454923 /nfs/dbraw/zinc/45/49/23/1029454923.db2.gz JFJLCKOZINQAEY-UHFFFAOYSA-N -1 0 329.393 3.878 20 0 EHADRM C[C@H]1CCC[C@H](C)N(C(=O)c2cccc(Br)c2[O-])C1 ZINC000524739690 1029476682 /nfs/dbraw/zinc/47/66/82/1029476682.db2.gz FODHCOZKLXERIW-QWRGUYRKSA-N -1 0 326.234 3.805 20 0 EHADRM CC(C)C[C@H](C(=O)[O-])[S@](=O)Cc1csc(-c2cccs2)n1 ZINC000567346057 1029497206 /nfs/dbraw/zinc/49/72/06/1029497206.db2.gz MWPDVHGYRXRMBM-XUSGNXJCSA-N -1 0 343.495 3.620 20 0 EHADRM C[C@@](O)(CCc1ccccc1)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000513823441 1029523350 /nfs/dbraw/zinc/52/33/50/1029523350.db2.gz UZLWVDJJJBDCQH-QGZVFWFLSA-N -1 0 337.778 3.507 20 0 EHADRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ncsc1C(C)C ZINC000583284545 1029529478 /nfs/dbraw/zinc/52/94/78/1029529478.db2.gz JYWXLYBAYGESKY-UHFFFAOYSA-N -1 0 340.470 3.693 20 0 EHADRM Cc1cc(C)cc(C2=CCN(C(=O)c3ccc(C(=O)[O-])s3)CC2)c1 ZINC000262844374 1029644540 /nfs/dbraw/zinc/64/45/40/1029644540.db2.gz VHBVVBRRUDPHQF-UHFFFAOYSA-N -1 0 341.432 3.993 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000262956366 1029652751 /nfs/dbraw/zinc/65/27/51/1029652751.db2.gz NKNQNZXKCZSGAX-XJKSGUPXSA-N -1 0 337.847 3.765 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000263029851 1029658438 /nfs/dbraw/zinc/65/84/38/1029658438.db2.gz QVELHRCZOPXJKP-UEXGIBASSA-N -1 0 339.435 3.949 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc3c(ccc4ccccc34)[nH]2)[C@@H](C(=O)[O-])C1 ZINC000263042709 1029660256 /nfs/dbraw/zinc/66/02/56/1029660256.db2.gz PJJQXAWSJMYONA-KZULUSFZSA-N -1 0 336.391 3.646 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CSc1ccc2ccccc2c1 ZINC000263088808 1029665947 /nfs/dbraw/zinc/66/59/47/1029665947.db2.gz BYMJYPBTEGDSDX-CZUORRHYSA-N -1 0 343.448 3.644 20 0 EHADRM CC[C@](CNC(=O)c1cc(C)c(C)s1)(C(=O)[O-])c1ccccc1 ZINC000263091963 1029666028 /nfs/dbraw/zinc/66/60/28/1029666028.db2.gz VQYLCDSSJVABPS-GOSISDBHSA-N -1 0 331.437 3.527 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000263100574 1029666378 /nfs/dbraw/zinc/66/63/78/1029666378.db2.gz CTRBOVJPMPJXTJ-NWDGAFQWSA-N -1 0 347.798 3.925 20 0 EHADRM CCC[C@@H](CNC(=O)c1ccc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC000263137393 1029668865 /nfs/dbraw/zinc/66/88/65/1029668865.db2.gz HWVIAZFGXKTNCZ-NSHDSACASA-N -1 0 335.787 3.831 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)N2CC[C@](C(=O)[O-])(C(C)C)C2)cc1 ZINC000263152951 1029670426 /nfs/dbraw/zinc/67/04/26/1029670426.db2.gz ZFGBHILALKCJPC-MGPUTAFESA-N -1 0 331.456 3.702 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)NCc2ccc(C(=O)[O-])s2)cc1 ZINC000263161405 1029670486 /nfs/dbraw/zinc/67/04/86/1029670486.db2.gz IJWXMGPQTFMIPO-GFCCVEGCSA-N -1 0 331.437 3.819 20 0 EHADRM COc1ccc2sc(C(=O)N3C[C@@H](C(=O)[O-])CC[C@@H]3C)c(C)c2c1 ZINC000263280464 1029683260 /nfs/dbraw/zinc/68/32/60/1029683260.db2.gz XFTUEBGMEJCLQT-JQWIXIFHSA-N -1 0 347.436 3.544 20 0 EHADRM Cc1c2c(sc1NC(=O)c1ccc(C(=O)[O-])c(C)n1)CCCC2 ZINC000263326155 1029688829 /nfs/dbraw/zinc/68/88/29/1029688829.db2.gz KMNVUVYIMHWCKC-UHFFFAOYSA-N -1 0 330.409 3.589 20 0 EHADRM CCCOc1cccc(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c1 ZINC000263359173 1029690103 /nfs/dbraw/zinc/69/01/03/1029690103.db2.gz XWZDEUPECLLLQH-ZDUSSCGKSA-N -1 0 327.380 3.916 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)N1CCC[C@H](C(=O)[O-])[C@@H]1C ZINC000263355244 1029690745 /nfs/dbraw/zinc/69/07/45/1029690745.db2.gz QQPSENQZXUEYAD-TUAOUCFPSA-N -1 0 341.860 3.532 20 0 EHADRM CCc1c(C)sc(NC(=O)Cc2ccc(OC)cc2)c1C(=O)[O-] ZINC000263396998 1029694435 /nfs/dbraw/zinc/69/44/35/1029694435.db2.gz DQRJXKCLSHCBEC-UHFFFAOYSA-N -1 0 333.409 3.507 20 0 EHADRM O=C([O-])c1cccc(N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000263433499 1029698193 /nfs/dbraw/zinc/69/81/93/1029698193.db2.gz UJQZIFCVCAWLQR-SWLSCSKDSA-N -1 0 336.750 3.514 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)NCc1ccc(C(C)(C)C)cc1)C1CCC1 ZINC000583358876 1029699492 /nfs/dbraw/zinc/69/94/92/1029699492.db2.gz VIPQRFYDMNZQNP-ZDUSSCGKSA-N -1 0 332.444 3.521 20 0 EHADRM Cc1ccc(NC2CCC(C(=O)[O-])CC2)c(OC[C@H]2CCCO2)c1 ZINC000263470255 1029701713 /nfs/dbraw/zinc/70/17/13/1029701713.db2.gz LEWIARKDYJSDJQ-UYSNPLJNSA-N -1 0 333.428 3.608 20 0 EHADRM C[C@H]1CN(c2ccccc2NCc2ccc(C(=O)[O-])cc2)C[C@H](C)O1 ZINC000263482036 1029701729 /nfs/dbraw/zinc/70/17/29/1029701729.db2.gz OEQBBUZMWLKZDI-GJZGRUSLSA-N -1 0 340.423 3.611 20 0 EHADRM CCc1c(C)sc(NC(=O)CCCC2CCOCC2)c1C(=O)[O-] ZINC000263506265 1029706269 /nfs/dbraw/zinc/70/62/69/1029706269.db2.gz BFONLXFEFZIEDV-UHFFFAOYSA-N -1 0 339.457 3.853 20 0 EHADRM Cc1ncn(-c2ccc(NC(=O)c3s[n-]c(=O)c3Cl)cc2)c1C ZINC000428583153 1029714306 /nfs/dbraw/zinc/71/43/06/1029714306.db2.gz QZTAEHSPFVHOSS-UHFFFAOYSA-N -1 0 348.815 3.557 20 0 EHADRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000446619360 1029727764 /nfs/dbraw/zinc/72/77/64/1029727764.db2.gz FGHAPWXOARSAFK-UHFFFAOYSA-N -1 0 343.495 3.896 20 0 EHADRM O=C([O-])CC1(CC(=O)N2CC(Cc3ccsc3)C2)CCCCC1 ZINC000634937553 1029728601 /nfs/dbraw/zinc/72/86/01/1029728601.db2.gz NCJUEWDYBUXEJM-UHFFFAOYSA-N -1 0 335.469 3.564 20 0 EHADRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000446645862 1029736470 /nfs/dbraw/zinc/73/64/70/1029736470.db2.gz FNGNTAUBPOZKPG-UHFFFAOYSA-N -1 0 343.857 3.871 20 0 EHADRM CCn1nccc1[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000446729815 1029775734 /nfs/dbraw/zinc/77/57/34/1029775734.db2.gz XDHOZANXIAZHAB-UHFFFAOYSA-N -1 0 335.816 3.510 20 0 EHADRM CC/C(C)=C(/C)C(=O)Nc1cccc(-n2ncc(C(=O)[O-])c2C)c1 ZINC000909640798 1029777966 /nfs/dbraw/zinc/77/79/66/1029777966.db2.gz QZONSVQONBTHIM-QXMHVHEDSA-N -1 0 327.384 3.564 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)Nc1ccc(F)c(C(F)(F)F)c1)C1CC1 ZINC000583419286 1029799494 /nfs/dbraw/zinc/79/94/94/1029799494.db2.gz SNHCXAWMLCTWCC-LBPRGKRZSA-N -1 0 348.296 3.704 20 0 EHADRM CCn1cc([N-]S(=O)(=O)c2csc3ccc(Cl)cc32)cn1 ZINC000080308516 1029799546 /nfs/dbraw/zinc/79/95/46/1029799546.db2.gz UQCFMZSEJNUXTH-UHFFFAOYSA-N -1 0 341.845 3.572 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)nnc1C ZINC000446814982 1029800251 /nfs/dbraw/zinc/80/02/51/1029800251.db2.gz OWQIXTFDADXELH-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)no1 ZINC000446807575 1029805510 /nfs/dbraw/zinc/80/55/10/1029805510.db2.gz BWCULNPSBLGQOY-UHFFFAOYSA-N -1 0 346.811 3.707 20 0 EHADRM O=S(=O)([N-]c1ncc(C(F)(F)F)s1)c1ccc(C2CC2)cc1 ZINC000583422319 1029814742 /nfs/dbraw/zinc/81/47/42/1029814742.db2.gz MDWOHNBDIYOCLP-UHFFFAOYSA-N -1 0 348.371 3.840 20 0 EHADRM CCc1ccc(CC)c(NC(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)c1 ZINC000080430906 1029870064 /nfs/dbraw/zinc/87/00/64/1029870064.db2.gz LDMSALQINSAXDN-UHFFFAOYSA-N -1 0 349.434 3.851 20 0 EHADRM COCc1cc(-c2ccc([S@@](=O)CCCC(=O)[O-])cc2)cs1 ZINC000600965181 1029971376 /nfs/dbraw/zinc/97/13/76/1029971376.db2.gz LSOHIBRYONTIOR-QFIPXVFZSA-N -1 0 338.450 3.534 20 0 EHADRM CO[C@H]1CCC[C@@H]1Sc1n[n-]c(=Nc2ccccc2F)s1 ZINC000583512109 1030000571 /nfs/dbraw/zinc/00/05/71/1030000571.db2.gz PMDORZTVFFWFBP-RYUDHWBXSA-N -1 0 325.434 3.502 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1CN1CCO[C@H](c2ccccc2)C1 ZINC001142657191 1030018496 /nfs/dbraw/zinc/01/84/96/1030018496.db2.gz PYZFJZKFIXRLSX-KRWDZBQOSA-N -1 0 331.799 3.612 20 0 EHADRM CCCC[C@@H](Sc1n[n-]c(=Nc2ccccc2)s1)C(=O)OC ZINC000525703760 1030033586 /nfs/dbraw/zinc/03/35/86/1030033586.db2.gz NFWBVCJYDGBCAG-GFCCVEGCSA-N -1 0 337.470 3.528 20 0 EHADRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C)cc(F)c1 ZINC000447263336 1030054479 /nfs/dbraw/zinc/05/44/79/1030054479.db2.gz IPGVZNYGXQBOGI-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)cc1C ZINC000447268355 1030057035 /nfs/dbraw/zinc/05/70/35/1030057035.db2.gz VDPUREQCHJCMFO-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000481865646 1030060332 /nfs/dbraw/zinc/06/03/32/1030060332.db2.gz ITHMGJKSTQWOIG-UHFFFAOYSA-N -1 0 338.860 3.969 20 0 EHADRM COc1ccc(CNC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)c(C)c1 ZINC000531930522 1030084843 /nfs/dbraw/zinc/08/48/43/1030084843.db2.gz CPWZKMUSOALHMT-HXUWFJFHSA-N -1 0 347.455 3.681 20 0 EHADRM Cc1onc(CN(C2CC2)[C@@H]2CCCc3ccccc32)c1C(=O)[O-] ZINC000583569760 1030150160 /nfs/dbraw/zinc/15/01/60/1030150160.db2.gz MGQOQKYHTRLHCK-QGZVFWFLSA-N -1 0 326.396 3.723 20 0 EHADRM CC(C)[C@@H](CC1CCCC1)C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000525964624 1030275392 /nfs/dbraw/zinc/27/53/92/1030275392.db2.gz NVZPDMALKMCLPE-MRXNPFEDSA-N -1 0 343.427 3.821 20 0 EHADRM CC(C)[C@H]1CCN(C(=O)c2cc(Cl)cc(Br)c2[O-])C1 ZINC000532031695 1030323952 /nfs/dbraw/zinc/32/39/52/1030323952.db2.gz XYMVANFDYSKGNI-VIFPVBQESA-N -1 0 346.652 3.926 20 0 EHADRM Cc1ccc(-n2ncc(-c3cccc(Cl)c3)c2N)cc1C(=O)[O-] ZINC001211592240 1030353946 /nfs/dbraw/zinc/35/39/46/1030353946.db2.gz QJJPZRMJRYUETA-UHFFFAOYSA-N -1 0 327.771 3.782 20 0 EHADRM CCNc1nc(C(=O)Nc2ccc(O)c(C(F)(F)F)c2)cs1 ZINC000158732169 1030408464 /nfs/dbraw/zinc/40/84/64/1030408464.db2.gz OUFCLNAEKUKJAT-UHFFFAOYSA-N -1 0 331.319 3.552 20 0 EHADRM Fc1cc(CN=c2[n-]nc(-c3ccccc3)o2)ccc1OC(F)F ZINC000508606096 1030479625 /nfs/dbraw/zinc/47/96/25/1030479625.db2.gz XDDUITXASUNCNQ-UHFFFAOYSA-N -1 0 335.285 3.511 20 0 EHADRM Cc1cc(N2CCSCC2)ccc1NC(=O)c1c([O-])cccc1F ZINC000122076433 1030482625 /nfs/dbraw/zinc/48/26/25/1030482625.db2.gz FLWRWHVZGOWNHE-UHFFFAOYSA-N -1 0 346.427 3.645 20 0 EHADRM CC[C@H](C(=O)N=c1cc(-c2ccc(C)o2)[n-][nH]1)c1ccc(OC)cc1 ZINC000447799655 1030484548 /nfs/dbraw/zinc/48/45/48/1030484548.db2.gz KUKSEYPGYBFKSC-HNNXBMFYSA-N -1 0 339.395 3.541 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)c3ccc(-c4ccco4)nc3C)[nH][n-]2)o1 ZINC000447800286 1030486014 /nfs/dbraw/zinc/48/60/14/1030486014.db2.gz RHEFHGXYMNBAHZ-UHFFFAOYSA-N -1 0 348.362 3.616 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)c3ccc(Cl)cc3Cl)[nH][n-]2)o1 ZINC000447802692 1030486134 /nfs/dbraw/zinc/48/61/34/1030486134.db2.gz MVVHRJUBSRLNMU-UHFFFAOYSA-N -1 0 336.178 3.959 20 0 EHADRM COc1ccc(CN=c2[n-]nc(-c3ccccc3)s2)cc1Cl ZINC000532221859 1030488802 /nfs/dbraw/zinc/48/88/02/1030488802.db2.gz SGDGZJBNCSDWCZ-UHFFFAOYSA-N -1 0 331.828 3.901 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)[C@H](C)c3cc4ccccc4o3)[nH][n-]2)o1 ZINC000447807583 1030507922 /nfs/dbraw/zinc/50/79/22/1030507922.db2.gz SFZPPQUCXSQVNW-GFCCVEGCSA-N -1 0 335.363 3.888 20 0 EHADRM CC(C)c1nc(/C=C\c2cn(C)nc2C2CCCC2)ncc1C(=O)[O-] ZINC000901476876 1030572756 /nfs/dbraw/zinc/57/27/56/1030572756.db2.gz LOLDTSUFSDLLLB-HJWRWDBZSA-N -1 0 340.427 3.860 20 0 EHADRM C/C=C/C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3)C(=O)[O-] ZINC000583746330 1030614541 /nfs/dbraw/zinc/61/45/41/1030614541.db2.gz LKHAVBOXNGSEBC-DCKQQPRJSA-N -1 0 340.423 3.586 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1ccccc1SC(C)C ZINC000122412480 1030619684 /nfs/dbraw/zinc/61/96/84/1030619684.db2.gz COPVNJIJMFMKIJ-UHFFFAOYSA-N -1 0 337.466 3.997 20 0 EHADRM CC(C)c1n[n-]c(=N[C@H]2CCCc3cn(C4CCCC4)nc32)s1 ZINC000527073467 1030627395 /nfs/dbraw/zinc/62/73/95/1030627395.db2.gz FYMCCVKDLLDRPC-AWEZNQCLSA-N -1 0 331.489 3.885 20 0 EHADRM CCSCC[C@@H](C)Nc1ncnc2sc(C(=O)[O-])c(C)c21 ZINC000160282808 1030645794 /nfs/dbraw/zinc/64/57/94/1030645794.db2.gz GWYBXRARQJNAGQ-MRVPVSSYSA-N -1 0 325.459 3.642 20 0 EHADRM CC[C@H]1CCCCCN1C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000447995486 1030648253 /nfs/dbraw/zinc/64/82/53/1030648253.db2.gz YQVYOCVUMYKEOH-LBPRGKRZSA-N -1 0 336.486 3.875 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cnn(C(C)C)c2)cc1C(F)(F)F ZINC000157587835 1030665987 /nfs/dbraw/zinc/66/59/87/1030665987.db2.gz JIZYXBAFWVTUJX-UHFFFAOYSA-N -1 0 347.362 3.592 20 0 EHADRM O=S(=O)([N-]c1cc(F)cc(Cl)c1)C1=Cc2ccccc2OC1 ZINC000190325682 1030698907 /nfs/dbraw/zinc/69/89/07/1030698907.db2.gz RTVFQGHKTIVFDP-UHFFFAOYSA-N -1 0 339.775 3.654 20 0 EHADRM COc1ccc(Br)nc1Nc1ccc(C)c(C(=O)[O-])c1 ZINC001211597319 1030708785 /nfs/dbraw/zinc/70/87/85/1030708785.db2.gz YYKPCQQNMWANIT-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000448153304 1030775412 /nfs/dbraw/zinc/77/54/12/1030775412.db2.gz DPQXQLCUUJHCKP-NSHDSACASA-N -1 0 330.819 3.654 20 0 EHADRM O=S(=O)([N-]c1cccnc1C(F)(F)F)c1ccccc1Cl ZINC000343422368 1030798381 /nfs/dbraw/zinc/79/83/81/1030798381.db2.gz NKHUHXBQYWQJQP-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM CCN(C)C(=O)Nc1cc(F)c(OC2CCCCC2)cc1C(=O)[O-] ZINC000568124536 1030817703 /nfs/dbraw/zinc/81/77/03/1030817703.db2.gz DPDUWZDHEOGELJ-UHFFFAOYSA-N -1 0 338.379 3.719 20 0 EHADRM Cc1ccc(Nc2sc3c(c2C(N)=O)C[C@H](C)CC3)cc1C(=O)[O-] ZINC001211599125 1030832417 /nfs/dbraw/zinc/83/24/17/1030832417.db2.gz BHGJWGPIDZVGDX-SECBINFHSA-N -1 0 344.436 3.722 20 0 EHADRM O=C(CCc1nnc(-c2ccsc2)o1)Nc1cccc(Cl)c1[O-] ZINC000172112124 1030838039 /nfs/dbraw/zinc/83/80/39/1030838039.db2.gz IBBZNORCVKKTFN-UHFFFAOYSA-N -1 0 349.799 3.728 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)s[n-]1 ZINC000550967850 1030842371 /nfs/dbraw/zinc/84/23/71/1030842371.db2.gz GVDXXUVYVBPVJK-GHMZBOCLSA-N -1 0 335.860 3.653 20 0 EHADRM CC(C)(CC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C(=O)[O-] ZINC000172032329 1030864291 /nfs/dbraw/zinc/86/42/91/1030864291.db2.gz QEOQRLBEWWBXKX-UHFFFAOYSA-N -1 0 337.379 3.669 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N3CC[C@@H](C(=O)[O-])[C@H](C)C3)o2)cc1 ZINC000262816742 1030924506 /nfs/dbraw/zinc/92/45/06/1030924506.db2.gz BILANCHVVADOGG-CZUORRHYSA-N -1 0 341.407 3.692 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2F)cc1C ZINC000551106678 1031038092 /nfs/dbraw/zinc/03/80/92/1031038092.db2.gz DNBUOPVDBGHKJJ-UHFFFAOYSA-N -1 0 341.791 3.791 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)[N-]c2nc(C(C)(C)C)cs2)c1 ZINC000476918081 1031080495 /nfs/dbraw/zinc/08/04/95/1031080495.db2.gz XNOGAJWLUZZINQ-UHFFFAOYSA-N -1 0 328.434 3.689 20 0 EHADRM CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000783876991 1031118478 /nfs/dbraw/zinc/11/84/78/1031118478.db2.gz MLKJZCTWICBPPH-UHFFFAOYSA-N -1 0 341.791 3.791 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000173622737 1031121704 /nfs/dbraw/zinc/12/17/04/1031121704.db2.gz VQOZBLLGIBYBMV-WBVHZDCISA-N -1 0 347.418 3.596 20 0 EHADRM C[C@@H]1CCC[C@H](CC(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)C1 ZINC000080292137 1031130625 /nfs/dbraw/zinc/13/06/25/1031130625.db2.gz LOYSPTPCBYLDGF-ZJUUUORDSA-N -1 0 346.430 3.518 20 0 EHADRM Cc1cc(NC(=O)CCc2ccnc3ccccc23)ccc1C(=O)[O-] ZINC000551353882 1031260377 /nfs/dbraw/zinc/26/03/77/1031260377.db2.gz PIFJYDBQAHTGBQ-UHFFFAOYSA-N -1 0 334.375 3.813 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cncc3ccccc32)c(C)c1C ZINC000536183894 1031334683 /nfs/dbraw/zinc/33/46/83/1031334683.db2.gz OBYZENZGBCOMJC-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM Cc1c(S(=O)(=O)[N-]c2c(C)cccc2C)c2ccccc2n1C ZINC000551466865 1031366968 /nfs/dbraw/zinc/36/69/68/1031366968.db2.gz GDOWGOOZWFFIMI-UHFFFAOYSA-N -1 0 328.437 3.904 20 0 EHADRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1-c1ccccc1 ZINC000536190159 1031403245 /nfs/dbraw/zinc/40/32/45/1031403245.db2.gz CZFROUHOQCXQGG-UHFFFAOYSA-N -1 0 345.399 3.633 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cnc(C(C)(C)C)s1 ZINC000455894823 1031429713 /nfs/dbraw/zinc/42/97/13/1031429713.db2.gz JNYMNXYSAWXXHF-LBPRGKRZSA-N -1 0 346.452 3.556 20 0 EHADRM CCNC(=O)Nc1cccc(NCc2ccc(C(=O)[O-])s2)c1C ZINC000903685980 1031485615 /nfs/dbraw/zinc/48/56/15/1031485615.db2.gz BHRLEXDMGCNFQG-UHFFFAOYSA-N -1 0 333.413 3.508 20 0 EHADRM COc1cccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1O ZINC000484219558 1031499388 /nfs/dbraw/zinc/49/93/88/1031499388.db2.gz LHWIEZGQNMSSNU-UHFFFAOYSA-N -1 0 348.207 3.508 20 0 EHADRM O=C(CSc1cccc2cccc(Cl)c21)[N-]OCC(F)F ZINC000760161209 1031505626 /nfs/dbraw/zinc/50/56/26/1031505626.db2.gz XJQPGWAHCNUZMV-UHFFFAOYSA-N -1 0 331.771 3.898 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000177120109 1031512976 /nfs/dbraw/zinc/51/29/76/1031512976.db2.gz VMGWCFWZEICPFO-AWEZNQCLSA-N -1 0 335.325 3.657 20 0 EHADRM COC(=O)c1ccc(=N[C@@H](C)c2ccc(Cl)c3ccccc32)[n-]n1 ZINC000613185503 1031791902 /nfs/dbraw/zinc/79/19/02/1031791902.db2.gz PAZIARLHAYDLOG-NSHDSACASA-N -1 0 341.798 3.665 20 0 EHADRM O=C([O-])N[C@@H]1C[C@@H](Nc2ccc(OC(F)F)c(Cl)c2)C12CCC2 ZINC000904194414 1031839269 /nfs/dbraw/zinc/83/92/69/1031839269.db2.gz FKKGZMBKDTVALX-VXGBXAGGSA-N -1 0 346.761 3.932 20 0 EHADRM O=C([O-])N[C@@H]1C[C@@H](Nc2ccc(N3CCCCC3)cc2)C12CCC2 ZINC000904194992 1031843872 /nfs/dbraw/zinc/84/38/72/1031843872.db2.gz PQPSQEJKDOPJAC-IAGOWNOFSA-N -1 0 329.444 3.668 20 0 EHADRM O=C([O-])N[C@@H]1C[C@@H](Nc2cccc(COCC3CC3)c2)C12CCC2 ZINC000904198430 1031844469 /nfs/dbraw/zinc/84/44/69/1031844469.db2.gz DNSHJPZPOFFCFX-IAGOWNOFSA-N -1 0 330.428 3.604 20 0 EHADRM CC(C)Oc1c(F)cc(N[C@@H]2C[C@@H](NC(=O)[O-])C23CCC3)cc1F ZINC000904231326 1031869993 /nfs/dbraw/zinc/86/99/93/1031869993.db2.gz RZYFXSIGCVELKO-ZIAGYGMSSA-N -1 0 340.370 3.743 20 0 EHADRM COc1cc(N[C@@H]2C[C@@H](NC(=O)[O-])C23CCC3)cc(OC)c1C(C)C ZINC000904231840 1031871499 /nfs/dbraw/zinc/87/14/99/1031871499.db2.gz ZDFGZYUESDKKOQ-HZPDHXFCSA-N -1 0 348.443 3.818 20 0 EHADRM O=C([O-])N[C@H]1C[C@@H](Nc2ccc(N3CCCCC3)c(F)c2)C12CCC2 ZINC000904256679 1031904949 /nfs/dbraw/zinc/90/49/49/1031904949.db2.gz FRVAHOHDWJFQNU-SJORKVTESA-N -1 0 347.434 3.807 20 0 EHADRM Cc1csc([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)n1 ZINC000180803257 1031948489 /nfs/dbraw/zinc/94/84/89/1031948489.db2.gz GUZGJROBPRBVAI-UHFFFAOYSA-N -1 0 337.253 3.700 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)c(C)c1 ZINC000181195446 1031952669 /nfs/dbraw/zinc/95/26/69/1031952669.db2.gz IIYVIIGHDHDYMQ-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)c1ccc(O)cc1F ZINC000163827863 1031970356 /nfs/dbraw/zinc/97/03/56/1031970356.db2.gz RGXSDCNIHMPYAH-CYBMUJFWSA-N -1 0 349.230 3.843 20 0 EHADRM Cc1ccc(-c2[n-][nH]c(=NC(=O)C3(c4cc(C)cc(C)c4)CC3)c2C)o1 ZINC000574633609 1033327817 /nfs/dbraw/zinc/32/78/17/1033327817.db2.gz ZUWYVVGAPBWMGK-UHFFFAOYSA-N -1 0 349.434 3.996 20 0 EHADRM Fc1cccc(Cc2n[n-]c(=NCc3cccc4ccccc43)o2)c1 ZINC000537490986 1033376711 /nfs/dbraw/zinc/37/67/11/1033376711.db2.gz XQOURFOAJYFDCJ-UHFFFAOYSA-N -1 0 333.366 3.987 20 0 EHADRM Fc1cccc(Cc2n[n-]c(=NCc3cccc(Cl)c3F)o2)c1 ZINC000537492805 1033415242 /nfs/dbraw/zinc/41/52/42/1033415242.db2.gz YXOMVDWVYJEOIG-UHFFFAOYSA-N -1 0 335.741 3.626 20 0 EHADRM CC(C)c1csc(NC(=O)c2ccc(Br)cc2[O-])n1 ZINC000044491068 1033498842 /nfs/dbraw/zinc/49/88/42/1033498842.db2.gz MGBLZHNYAUFYSL-UHFFFAOYSA-N -1 0 341.230 3.987 20 0 EHADRM CSCc1cccc(-c2ccc([C@@H](CC(=O)[O-])NC(C)=O)cc2)c1 ZINC000594874192 1033528272 /nfs/dbraw/zinc/52/82/72/1033528272.db2.gz VFQWKDWEOKMMAI-GOSISDBHSA-N -1 0 343.448 3.869 20 0 EHADRM CCCCc1n[n-]c(=NCc2cccc(OC)c2OC(C)C)s1 ZINC000537507042 1033534197 /nfs/dbraw/zinc/53/41/97/1033534197.db2.gz LGXZAASUDFIAAW-UHFFFAOYSA-N -1 0 335.473 3.711 20 0 EHADRM Cc1[nH]c2ccc(C(=O)N3CCc4ccc(C(=O)[O-])cc4C3)cc2c1C ZINC000347405727 1033594852 /nfs/dbraw/zinc/59/48/52/1033594852.db2.gz YDALVGNXRHUBIG-UHFFFAOYSA-N -1 0 348.402 3.681 20 0 EHADRM CCSc1ccc([C@@H](C)NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000608340404 1033644219 /nfs/dbraw/zinc/64/42/19/1033644219.db2.gz SUTICSUXRATSOT-WQVCFCJDSA-N -1 0 333.453 3.643 20 0 EHADRM Cc1cc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])ccc1C(F)(F)F ZINC000608340739 1033645149 /nfs/dbraw/zinc/64/51/49/1033645149.db2.gz VIBLQBLNJXHMLU-NWDGAFQWSA-N -1 0 327.302 3.619 20 0 EHADRM CC[C@H](NC(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000780513675 1033657073 /nfs/dbraw/zinc/65/70/73/1033657073.db2.gz LBXOBCKBRROGIS-DYVFJYSZSA-N -1 0 342.395 3.702 20 0 EHADRM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)C[C@H](C)C(C)(C)C)c1 ZINC000455958207 1033691630 /nfs/dbraw/zinc/69/16/30/1033691630.db2.gz VRGYNBWDQHYJTJ-ORAYPTAESA-N -1 0 335.444 3.574 20 0 EHADRM CSCc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)cc1 ZINC000595246246 1033718102 /nfs/dbraw/zinc/71/81/02/1033718102.db2.gz XYSQJKXSJKPPJU-IKGGRYGDSA-N -1 0 347.480 3.655 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000108066489 1033754504 /nfs/dbraw/zinc/75/45/04/1033754504.db2.gz ASPKKBZJPAHRIQ-SHACYNPGSA-N -1 0 347.455 3.934 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCc2ccccc2Cl)cc1 ZINC000046927542 1033893887 /nfs/dbraw/zinc/89/38/87/1033893887.db2.gz FEUBTPNTQMKWSJ-UHFFFAOYSA-N -1 0 337.828 3.926 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)Cc2ccc(Cl)cc2)c1 ZINC000046929234 1033895970 /nfs/dbraw/zinc/89/59/70/1033895970.db2.gz DGPUXOFQGSRGAW-UHFFFAOYSA-N -1 0 337.828 3.845 20 0 EHADRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)c(C)c1 ZINC000046928759 1033896284 /nfs/dbraw/zinc/89/62/84/1033896284.db2.gz LKZYXGWCBKPCFI-UHFFFAOYSA-N -1 0 329.830 3.712 20 0 EHADRM CCOC(=O)c1csc(=N[C@@H](C)c2ccc(C(F)(F)F)cc2)[n-]1 ZINC000450243225 1033947916 /nfs/dbraw/zinc/94/79/16/1033947916.db2.gz CDVASOSBRLENNR-VIFPVBQESA-N -1 0 344.358 3.934 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000609023574 1033999467 /nfs/dbraw/zinc/99/94/67/1033999467.db2.gz LXXBONZMRKNIOU-NSHDSACASA-N -1 0 335.498 3.518 20 0 EHADRM O=S(=O)(Cc1ccccc1)[N-]c1ncc(-c2ccccc2)s1 ZINC000119646020 1034217622 /nfs/dbraw/zinc/21/76/22/1034217622.db2.gz XPNWVKTWAKADIJ-UHFFFAOYSA-N -1 0 330.434 3.752 20 0 EHADRM C[C@H](C(=O)Nc1cc(Br)cc(Cl)c1[O-])C(F)(F)F ZINC000534206265 1034234005 /nfs/dbraw/zinc/23/40/05/1034234005.db2.gz AODJYDWGGOKVKG-SCSAIBSYSA-N -1 0 346.530 3.945 20 0 EHADRM COC[C@H](C)Oc1cccc(-c2ccc3c(c2)CC[C@H]3C(=O)[O-])c1 ZINC000517176466 1034270771 /nfs/dbraw/zinc/27/07/71/1034270771.db2.gz NIOPMNGTNAVLOB-ORAYPTAESA-N -1 0 326.392 3.882 20 0 EHADRM O=C([N-]Cc1ccc(OCc2cccc(F)c2)cc1)C(F)(F)F ZINC000171246231 1034272090 /nfs/dbraw/zinc/27/20/90/1034272090.db2.gz DCSHIVYDDMKNRJ-UHFFFAOYSA-N -1 0 327.277 3.583 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1ccccc1Cl)C(=O)N(C)C1CCCC1 ZINC000548876729 1034345699 /nfs/dbraw/zinc/34/56/99/1034345699.db2.gz QFOXYSQAYNXDIW-LBPRGKRZSA-N -1 0 338.835 3.610 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(Cl)cccc3n2)cc1 ZINC000148819967 1034349734 /nfs/dbraw/zinc/34/97/34/1034349734.db2.gz MGZMVZKFZKMIHR-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)CC1(C(=O)[O-])CCCCC1)C(C)C ZINC000604413632 1034370992 /nfs/dbraw/zinc/37/09/92/1034370992.db2.gz WPWHQCPVKBUSFF-MRXNPFEDSA-N -1 0 332.444 3.629 20 0 EHADRM CC(=O)c1[n-]c(=N[C@H](C)c2nc(C(F)(F)F)cs2)sc1C ZINC000450480512 1034404030 /nfs/dbraw/zinc/40/40/30/1034404030.db2.gz BPXVBIIWIVWWCF-RXMQYKEDSA-N -1 0 335.376 3.724 20 0 EHADRM O=C(Nc1ccc(N2CCCC2)c(F)c1)c1cc(F)c([O-])c(F)c1 ZINC000177087613 1034436202 /nfs/dbraw/zinc/43/62/02/1034436202.db2.gz NGPOLFDQMHLWRW-UHFFFAOYSA-N -1 0 336.313 3.662 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)N=c2[n-]nc(-c3ccco3)s2)c1C ZINC000604616539 1034437800 /nfs/dbraw/zinc/43/78/00/1034437800.db2.gz VPQQLBHWZXDMJI-LBPRGKRZSA-N -1 0 342.424 3.720 20 0 EHADRM CCC[C@@H](NC(=O)N=c1nc(C(C)(C)C)[n-]s1)c1ccccc1 ZINC000604800405 1034508983 /nfs/dbraw/zinc/50/89/83/1034508983.db2.gz RABAYMMNOMUBRT-CYBMUJFWSA-N -1 0 332.473 3.920 20 0 EHADRM C[C@H](NC(=O)C1CCC(C(=O)[O-])CC1)c1cc2cccc(F)c2o1 ZINC000450538956 1034513170 /nfs/dbraw/zinc/51/31/70/1034513170.db2.gz JALMZPAFXXPKFO-UNXYVOJBSA-N -1 0 333.359 3.640 20 0 EHADRM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)cn2)cc1 ZINC000604839511 1034521727 /nfs/dbraw/zinc/52/17/27/1034521727.db2.gz MABUFOPDZHRJBX-UHFFFAOYSA-N -1 0 347.484 3.537 20 0 EHADRM CC[C@H](C)N(Cc1ccccc1)C(=O)N=c1[n-]nc(CC(C)C)s1 ZINC000604903812 1034540129 /nfs/dbraw/zinc/54/01/29/1034540129.db2.gz HWMXRWOSARJCRF-AWEZNQCLSA-N -1 0 346.500 3.991 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)CC2CC(F)(F)C2)c1 ZINC000597157050 1034569773 /nfs/dbraw/zinc/56/97/73/1034569773.db2.gz ODJHHOKZHIGWIH-UHFFFAOYSA-N -1 0 343.395 3.768 20 0 EHADRM Cc1cccc2nc(C3CCN(c4ncccc4C(=O)[O-])CC3)oc21 ZINC000647453503 1034590784 /nfs/dbraw/zinc/59/07/84/1034590784.db2.gz JUTDUXCQSXQDNX-UHFFFAOYSA-N -1 0 337.379 3.613 20 0 EHADRM CCc1n[n-]c(=NC(=O)Nc2cccc(Cl)c2OC(C)C)s1 ZINC000605336153 1034701271 /nfs/dbraw/zinc/70/12/71/1034701271.db2.gz FLDROYBHQPVBFN-UHFFFAOYSA-N -1 0 340.836 3.607 20 0 EHADRM CCCN(C(=O)N[C@@H](C)c1c(F)cccc1Cl)[C@H](CC)C(=O)[O-] ZINC000569774939 1034704503 /nfs/dbraw/zinc/70/45/03/1034704503.db2.gz LCKZTMQJCIGCLS-GXFFZTMASA-N -1 0 344.814 3.825 20 0 EHADRM Cc1nc(C(C)C)oc1CSc1n[n-]c(=NCC(C)C)s1 ZINC000450749143 1034751744 /nfs/dbraw/zinc/75/17/44/1034751744.db2.gz WWSYQCVMRSEIJB-UHFFFAOYSA-N -1 0 326.491 3.740 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N[C@H]2CCSc3ccccc32)CC1 ZINC000584472540 1034784026 /nfs/dbraw/zinc/78/40/26/1034784026.db2.gz TWFWEDVVHCYGFK-PIMMBPRGSA-N -1 0 333.453 3.621 20 0 EHADRM CCCOc1ccc(S(=O)(=O)[N-]c2cncc3ccccc32)cc1 ZINC000534674920 1034809392 /nfs/dbraw/zinc/80/93/92/1034809392.db2.gz MQTRIGNBHBFQGU-UHFFFAOYSA-N -1 0 342.420 3.824 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2cncc3ccccc32)c(C)c1 ZINC000534673647 1034809925 /nfs/dbraw/zinc/80/99/25/1034809925.db2.gz YQJPPSLAWNOXKH-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM COCC[C@@H](N=c1[n-]c(C(C)C)no1)c1cccc(C(F)(F)F)c1 ZINC000450803894 1034815591 /nfs/dbraw/zinc/81/55/91/1034815591.db2.gz LSPHMOFQIXHVFE-CYBMUJFWSA-N -1 0 343.349 3.823 20 0 EHADRM CCOC(=O)CCc1c(C)[n-]n(-c2cccc(Cl)c2Cl)c1=O ZINC000601933663 1034829462 /nfs/dbraw/zinc/82/94/62/1034829462.db2.gz FMOWRVIGBOVUHU-JTQLQIEISA-N -1 0 343.210 3.675 20 0 EHADRM CN(C)[C@@H](C(=O)Nc1cccc(Cl)c1[O-])c1cccc(Cl)c1 ZINC000605888006 1034837324 /nfs/dbraw/zinc/83/73/24/1034837324.db2.gz BCVFCAZFILODLI-CQSZACIVSA-N -1 0 339.222 3.940 20 0 EHADRM C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1cccc(Cl)c1[O-] ZINC000605877464 1034843392 /nfs/dbraw/zinc/84/33/92/1034843392.db2.gz ILSPHTKBSSYIEH-LLVKDONJSA-N -1 0 331.799 3.940 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-] ZINC000601984833 1034847241 /nfs/dbraw/zinc/84/72/41/1034847241.db2.gz TYRIXZHOVWUUNU-ZJUUUORDSA-N -1 0 343.876 3.998 20 0 EHADRM Cc1cc(NC(=O)[C@H](C)S[C@H](C)C(=O)[O-])ccc1C(F)(F)F ZINC000601985746 1034848462 /nfs/dbraw/zinc/84/84/62/1034848462.db2.gz RZFUYGDCJFNUJN-DTWKUNHWSA-N -1 0 335.347 3.547 20 0 EHADRM CCCN(CC)C(=O)c1ccc(C(=O)Nc2cccc(F)c2O)cc1 ZINC000530007618 1034852572 /nfs/dbraw/zinc/85/25/72/1034852572.db2.gz YNXKUWZVPCVCLV-UHFFFAOYSA-N -1 0 344.386 3.656 20 0 EHADRM C[C@@H](S[C@H](C)C(=O)NC(C)(C)c1ccc2ccccc2c1)C(=O)[O-] ZINC000602008354 1034857881 /nfs/dbraw/zinc/85/78/81/1034857881.db2.gz KOUHKXRDSZSFHZ-CHWSQXEVSA-N -1 0 345.464 3.786 20 0 EHADRM COCCOc1ccc(-c2cccc(OCCCC(=O)[O-])c2)cc1 ZINC000569941356 1034905729 /nfs/dbraw/zinc/90/57/29/1034905729.db2.gz KOOZZKDYNMXNDC-UHFFFAOYSA-N -1 0 330.380 3.622 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)Cc2c(F)cccc2Cl)no1 ZINC000450978279 1034978097 /nfs/dbraw/zinc/97/80/97/1034978097.db2.gz YASHMXQLRIHQDJ-UHFFFAOYSA-N -1 0 346.811 3.707 20 0 EHADRM CCC(O)(CC)CCN=c1[n-]nc(-c2ccccc2Cl)s1 ZINC000472433145 1034985633 /nfs/dbraw/zinc/98/56/33/1034985633.db2.gz NHHQRIFBTLWXDR-UHFFFAOYSA-N -1 0 325.865 3.634 20 0 EHADRM Cc1scnc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C)c1 ZINC000530141230 1035001241 /nfs/dbraw/zinc/00/12/41/1035001241.db2.gz WHFXJMPDENNPOQ-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM O=C([O-])Cn1ccc2cc(NC(=O)c3cncc4ccccc43)ccc21 ZINC000431659121 1035001738 /nfs/dbraw/zinc/00/17/38/1035001738.db2.gz DUKIZUKLFQFZJN-UHFFFAOYSA-N -1 0 345.358 3.526 20 0 EHADRM Cc1csc(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)c1 ZINC000450994410 1035005292 /nfs/dbraw/zinc/00/52/92/1035005292.db2.gz YUDDHANHKJASCS-UHFFFAOYSA-N -1 0 325.455 3.782 20 0 EHADRM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc2occc2c1 ZINC000530145273 1035006020 /nfs/dbraw/zinc/00/60/20/1035006020.db2.gz QISCMUMVZBTJBI-UHFFFAOYSA-N -1 0 347.440 3.703 20 0 EHADRM O=S(=O)([N-]c1ccc(F)nc1)c1ccc(-c2ccccc2)cc1 ZINC000152818365 1035015811 /nfs/dbraw/zinc/01/58/11/1035015811.db2.gz BQSFUHUFOOCION-UHFFFAOYSA-N -1 0 328.368 3.689 20 0 EHADRM O=C([O-])c1ccoc1CN1CCc2cccc(C(F)(F)F)c2C1 ZINC000530174710 1035047655 /nfs/dbraw/zinc/04/76/55/1035047655.db2.gz ZCQHUQVBQWXERC-UHFFFAOYSA-N -1 0 325.286 3.555 20 0 EHADRM CCCc1nc(=NC(=O)c2sc3ccc(OC)cc3c2C)s[n-]1 ZINC000545259573 1035157510 /nfs/dbraw/zinc/15/75/10/1035157510.db2.gz OGDKMZYZGWZZOB-UHFFFAOYSA-N -1 0 347.465 3.697 20 0 EHADRM Cc1cc(NC(=O)c2csc([C@@H]3CCCO3)n2)cc(C(=O)[O-])c1C ZINC000431666547 1035160234 /nfs/dbraw/zinc/16/02/34/1035160234.db2.gz KSUFEIWMUJCDOM-AWEZNQCLSA-N -1 0 346.408 3.562 20 0 EHADRM Cc1cc(NC(=O)c2cnc([C@@H]3CCCO3)s2)cc(C(=O)[O-])c1C ZINC000431682484 1035225262 /nfs/dbraw/zinc/22/52/62/1035225262.db2.gz ADLJPAZMHDKLDB-ZDUSSCGKSA-N -1 0 346.408 3.562 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000317338846 1035298134 /nfs/dbraw/zinc/29/81/34/1035298134.db2.gz QFGINOPLYXUSRF-BDAKNGLRSA-N -1 0 335.709 3.798 20 0 EHADRM O=C(Nc1cc(Br)cc(Cl)c1[O-])[C@H]1C[C@H]2C[C@H]2C1 ZINC000613113313 1035408208 /nfs/dbraw/zinc/40/82/08/1035408208.db2.gz QMWSISUDKWEBCY-JIGDXULJSA-N -1 0 330.609 3.793 20 0 EHADRM CC(=O)N[C@@H](CCC(C)C)C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000613181822 1035439923 /nfs/dbraw/zinc/43/99/23/1035439923.db2.gz CGDUUYDOZYAHFM-LBPRGKRZSA-N -1 0 347.242 3.578 20 0 EHADRM CC(F)(F)CCCNC(=O)C[C@@](C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000414088202 1035473937 /nfs/dbraw/zinc/47/39/37/1035473937.db2.gz JDCOYKCHUVCZJD-OAHLLOKOSA-N -1 0 347.789 3.624 20 0 EHADRM O=C(c1cc(O)ccc1Cl)N(Cc1cccc(O)c1)CC1CC1 ZINC000431782362 1035481427 /nfs/dbraw/zinc/48/14/27/1035481427.db2.gz DENUBCABUTUCHD-UHFFFAOYSA-N -1 0 331.799 3.804 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)NC[C@@H]1CCCC1(F)F)C1CCCCC1 ZINC000414093407 1035482393 /nfs/dbraw/zinc/48/23/93/1035482393.db2.gz NXCXSECLELGMBN-XJKSGUPXSA-N -1 0 331.403 3.599 20 0 EHADRM CCOc1ccccc1[C@H](CC)NC(=O)N=c1[n-]nc(C2CC2)s1 ZINC000549013899 1035486483 /nfs/dbraw/zinc/48/64/83/1035486483.db2.gz CZPLNHKIOVUUTB-ZDUSSCGKSA-N -1 0 346.456 3.509 20 0 EHADRM CO[C@H](C)c1nc(=NCc2ccc(OC3CCCC3)cc2)s[n-]1 ZINC000509714382 1035522483 /nfs/dbraw/zinc/52/24/83/1035522483.db2.gz RPHGWJIZZLFMES-GFCCVEGCSA-N -1 0 333.457 3.601 20 0 EHADRM CCc1oc2ccccc2c1CN=c1[n-]nc(C2CCOCC2)s1 ZINC000571614185 1035567631 /nfs/dbraw/zinc/56/76/31/1035567631.db2.gz AZGDAIAJJCYKCW-UHFFFAOYSA-N -1 0 343.452 3.775 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2csc(-c3ccncc3)n2)c1 ZINC000185965701 1035580358 /nfs/dbraw/zinc/58/03/58/1035580358.db2.gz XPJFHJUBIFMHOG-UHFFFAOYSA-N -1 0 345.449 3.568 20 0 EHADRM C/C=C\c1ccc(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)cc1 ZINC000571714298 1035588503 /nfs/dbraw/zinc/58/85/03/1035588503.db2.gz MUURDUVNGDXKLR-KXFIGUGUSA-N -1 0 331.375 3.926 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2c(F)cccc2Cl)cc1 ZINC000463516809 1035595784 /nfs/dbraw/zinc/59/57/84/1035595784.db2.gz WRRFWQKAUXGYQD-UHFFFAOYSA-N -1 0 329.780 3.679 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1CCCc2sccc21)C1CCCCC1 ZINC000431801636 1035596575 /nfs/dbraw/zinc/59/65/75/1035596575.db2.gz SHRVEGMCVQKSFS-GJZGRUSLSA-N -1 0 335.469 3.708 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1[nH]c2ccccc2c1Cl)C1CCCCC1 ZINC000540712825 1035618096 /nfs/dbraw/zinc/61/80/96/1035618096.db2.gz JXTLAGICVUHMKP-AWEZNQCLSA-N -1 0 348.830 3.975 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccc(C)cc3C)o2)s1 ZINC000571729654 1035630016 /nfs/dbraw/zinc/63/00/16/1035630016.db2.gz IAUGWQOMBYKGPO-UHFFFAOYSA-N -1 0 349.437 3.524 20 0 EHADRM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1ccc(C)s1 ZINC000024070356 1035666443 /nfs/dbraw/zinc/66/64/43/1035666443.db2.gz RAGJUCSSJHQHQE-UHFFFAOYSA-N -1 0 331.846 3.828 20 0 EHADRM C[C@H](c1cc(F)ccc1F)N(C)C(=O)CC1(C(=O)[O-])CCCC1 ZINC000321586755 1035689241 /nfs/dbraw/zinc/68/92/41/1035689241.db2.gz IQTOMKSRGQZFGI-LLVKDONJSA-N -1 0 325.355 3.519 20 0 EHADRM O=C(N[C@H](c1nccs1)c1ccccc1)c1cc(F)c([O-])c(F)c1 ZINC000186782297 1035703002 /nfs/dbraw/zinc/70/30/02/1035703002.db2.gz ZNFQOKCBHIVUAQ-AWEZNQCLSA-N -1 0 346.358 3.646 20 0 EHADRM COC[C@H]1CCCN(C(=O)c2c([O-])cc(Cl)cc2Cl)CC1 ZINC000457100161 1035739129 /nfs/dbraw/zinc/73/91/29/1035739129.db2.gz ZJONQGOYNJHBFZ-JTQLQIEISA-N -1 0 332.227 3.588 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1cccc(-c2cnco2)c1 ZINC000188385747 1035918962 /nfs/dbraw/zinc/91/89/62/1035918962.db2.gz VQJIEZDTXDJKFK-UHFFFAOYSA-N -1 0 346.433 3.864 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccc(N2CCCCC2)cc1 ZINC000263104969 1035933225 /nfs/dbraw/zinc/93/32/25/1035933225.db2.gz JDKOZRBSFKIQAG-GOSISDBHSA-N -1 0 344.455 3.536 20 0 EHADRM Cn1cc(C(=O)Nc2ccc(F)c(F)c2[O-])c(C2CCCCC2)n1 ZINC000457296662 1035953208 /nfs/dbraw/zinc/95/32/08/1035953208.db2.gz QASKEGJTCUWJES-UHFFFAOYSA-N -1 0 335.354 3.704 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)Nc3ccc(Cl)cc3C)cc2=O)cc1 ZINC000174463475 1035961177 /nfs/dbraw/zinc/96/11/77/1035961177.db2.gz GGBJHHTWJVVMPY-UHFFFAOYSA-N -1 0 341.798 3.688 20 0 EHADRM O=S(=O)([N-]c1cc(F)c(F)c(F)c1)c1cc(F)cc(Cl)c1 ZINC000535136752 1036066299 /nfs/dbraw/zinc/06/62/99/1036066299.db2.gz GRUXBOHIWCRYBO-UHFFFAOYSA-N -1 0 339.697 3.697 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2cc3ccc(F)cc3s2)cc1 ZINC000321618963 1036070548 /nfs/dbraw/zinc/07/05/48/1036070548.db2.gz WHXXVRZDPMXWRE-UHFFFAOYSA-N -1 0 329.352 3.920 20 0 EHADRM Cc1nc(C(=O)N2CC(C)(C)C[C@@H]2c2ccccc2)ccc1C(=O)[O-] ZINC000572408552 1036080846 /nfs/dbraw/zinc/08/08/46/1036080846.db2.gz CJRREACVQIAAPJ-QGZVFWFLSA-N -1 0 338.407 3.702 20 0 EHADRM Cc1cc(CN2CCC[C@H](Oc3ccccc3Cl)C2)oc1C(=O)[O-] ZINC000572490261 1036115528 /nfs/dbraw/zinc/11/55/28/1036115528.db2.gz ZGQJOOWFVWGPNV-ZDUSSCGKSA-N -1 0 349.814 3.983 20 0 EHADRM CC[C@H](CNC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)CC(F)(F)F ZINC000402607320 1036181018 /nfs/dbraw/zinc/18/10/18/1036181018.db2.gz QAXPQNQABWDKDH-LRDDRELGSA-N -1 0 345.361 3.514 20 0 EHADRM Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000175015439 1036202656 /nfs/dbraw/zinc/20/26/56/1036202656.db2.gz ZWUJRWNKUJFQQK-UHFFFAOYSA-N -1 0 349.305 3.675 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2cccc(C(F)F)c2Cl)C1 ZINC000263129602 1036264778 /nfs/dbraw/zinc/26/47/78/1036264778.db2.gz MXVGDJXSRTVJSH-BDAKNGLRSA-N -1 0 346.761 3.852 20 0 EHADRM CC(C)C[C@@H](C)n1nccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000589271402 1036334946 /nfs/dbraw/zinc/33/49/46/1036334946.db2.gz ORRNDAROIHKNID-GFCCVEGCSA-N -1 0 341.864 3.944 20 0 EHADRM CCCCOc1ccccc1CN=c1[n-]nc(C(F)(F)F)s1 ZINC000464336356 1036360916 /nfs/dbraw/zinc/36/09/16/1036360916.db2.gz CBTKKVWOPAQQKQ-UHFFFAOYSA-N -1 0 331.363 3.770 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c3ncccc23)c(F)c1 ZINC000404825205 1036423588 /nfs/dbraw/zinc/42/35/88/1036423588.db2.gz QFYSIYVDNICRSP-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM CCN(Cc1ccccc1Cl)C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000572647617 1036445321 /nfs/dbraw/zinc/44/53/21/1036445321.db2.gz UJELEPXZOCBDRY-UHFFFAOYSA-N -1 0 337.847 3.970 20 0 EHADRM Cc1nc(=NC(=O)c2sc(-c3ccc(C)cc3C)nc2C)s[n-]1 ZINC000464425130 1036446270 /nfs/dbraw/zinc/44/62/70/1036446270.db2.gz YZQDWXCBGMXGOF-UHFFFAOYSA-N -1 0 344.465 3.569 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnc(C(F)(F)F)cc2C)cc1 ZINC000685902554 1036507392 /nfs/dbraw/zinc/50/73/92/1036507392.db2.gz NGFJOBKHBNXRLU-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM CC(C)(C)C1=CCN(C(=O)N=c2[n-]nc(-c3ccsc3)s2)CC1 ZINC000535449709 1036518000 /nfs/dbraw/zinc/51/80/00/1036518000.db2.gz GCYYRCYGQBHKGT-UHFFFAOYSA-N -1 0 348.497 3.899 20 0 EHADRM Cc1c(Br)ccc(O)c1NC(=O)c1[nH]ccc1C1CC1 ZINC000457842067 1036563396 /nfs/dbraw/zinc/56/33/96/1036563396.db2.gz JLSWAFHDEPUUDI-UHFFFAOYSA-N -1 0 335.201 3.921 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cccc3cnccc32)c2cccnc12 ZINC000193126653 1036567252 /nfs/dbraw/zinc/56/72/52/1036567252.db2.gz DBHWUUCDBCOAEO-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)NCc1ccc(O)c(F)c1 ZINC000175804586 1036574275 /nfs/dbraw/zinc/57/42/75/1036574275.db2.gz HPUREUZTVVUCQW-CZUORRHYSA-N -1 0 328.387 3.619 20 0 EHADRM O=C([O-])C1(CC(=O)N(Cc2ccco2)Cc2ccco2)CCCCC1 ZINC000327368286 1036588745 /nfs/dbraw/zinc/58/87/45/1036588745.db2.gz KPYBEVMPBLCYRI-UHFFFAOYSA-N -1 0 345.395 3.827 20 0 EHADRM CN(Cc1ccc(F)cc1Cl)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000186174062 1036620573 /nfs/dbraw/zinc/62/05/73/1036620573.db2.gz JOTZAQURJGCDKY-UHFFFAOYSA-N -1 0 347.695 3.874 20 0 EHADRM CCC[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000263204062 1036635556 /nfs/dbraw/zinc/63/55/56/1036635556.db2.gz OBIIRXYWMJIMFQ-ZTFGCOKTSA-N -1 0 325.408 3.560 20 0 EHADRM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000176524967 1036637408 /nfs/dbraw/zinc/63/74/08/1036637408.db2.gz GAARPVDHGHPOKJ-MAUKXSAKSA-N -1 0 347.418 3.596 20 0 EHADRM CCC[C@@H](CNC(=O)C1c2ccccc2Oc2ccccc21)C(=O)[O-] ZINC000263209252 1036640815 /nfs/dbraw/zinc/64/08/15/1036640815.db2.gz ORZXQQKLFUPLEZ-ZDUSSCGKSA-N -1 0 339.391 3.541 20 0 EHADRM Cn1cnc(/C=C(\CC(=O)[O-])c2nc3cc(Cl)ccc3s2)c1 ZINC000669819024 1036650376 /nfs/dbraw/zinc/65/03/76/1036650376.db2.gz NAKQNQOGSAESAH-RUDMXATFSA-N -1 0 333.800 3.699 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)c2ccc(F)c(C(F)(F)F)c2)s[n-]1 ZINC000589937757 1036664323 /nfs/dbraw/zinc/66/43/23/1036664323.db2.gz WFPHVPNABRDDEJ-UHFFFAOYSA-N -1 0 347.337 3.668 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)c2ccc(-c3ccc(F)cc3)o2)s[n-]1 ZINC000589936830 1036666656 /nfs/dbraw/zinc/66/66/56/1036666656.db2.gz ZGWYSWCSQFFAAN-UHFFFAOYSA-N -1 0 345.399 3.909 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)c2csc(-c3ccccc3)n2)s[n-]1 ZINC000589935925 1036667791 /nfs/dbraw/zinc/66/77/91/1036667791.db2.gz JYESLQKHIIWWEB-UHFFFAOYSA-N -1 0 344.465 3.633 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000589937335 1036667978 /nfs/dbraw/zinc/66/79/78/1036667978.db2.gz LAZXHLJZUBBHIM-GFCCVEGCSA-N -1 0 347.484 3.789 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)C(C)(C)c2ccc(Cl)cc2)s[n-]1 ZINC000589937679 1036687835 /nfs/dbraw/zinc/68/78/35/1036687835.db2.gz PPFWCQXZDISYGB-UHFFFAOYSA-N -1 0 337.876 3.827 20 0 EHADRM CCc1ncc(CN=c2[n-]nc(-c3cc4c(s3)CCCC4)o2)s1 ZINC000541820487 1036690650 /nfs/dbraw/zinc/69/06/50/1036690650.db2.gz ASWXWZPESGYVFR-UHFFFAOYSA-N -1 0 346.481 3.730 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2C[C@]23CCc2ccccc23)c1 ZINC000263325354 1036777246 /nfs/dbraw/zinc/77/72/46/1036777246.db2.gz ONYFRUMDVVRGDJ-FPSMJMQUSA-N -1 0 335.403 3.717 20 0 EHADRM Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[N-]C(=O)C(F)(F)F ZINC000171561216 1036806706 /nfs/dbraw/zinc/80/67/06/1036806706.db2.gz FDOKQXRTAXFGOX-MRVPVSSYSA-N -1 0 332.322 3.997 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)[O-] ZINC000386243379 1036827306 /nfs/dbraw/zinc/82/73/06/1036827306.db2.gz TUVFOSVUFFFSSI-SNVBAGLBSA-N -1 0 343.807 3.923 20 0 EHADRM CCn1cnc(S(=O)(=O)[N-]c2c(C)cc(Cl)c3ccccc32)c1 ZINC000462354622 1036859605 /nfs/dbraw/zinc/85/96/05/1036859605.db2.gz AMMXGBHHTSCERZ-UHFFFAOYSA-N -1 0 349.843 3.819 20 0 EHADRM C[C@@H](CC(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-])c1ccc(F)cc1F ZINC000263405153 1036871013 /nfs/dbraw/zinc/87/10/13/1036871013.db2.gz FXZJRGVMNADGAV-PEYYIBSZSA-N -1 0 339.382 3.608 20 0 EHADRM CSc1cc(C(=O)N2CCC[C@@]2(C)C(=O)[O-])c(Cl)cc1Cl ZINC000263414824 1036880136 /nfs/dbraw/zinc/88/01/36/1036880136.db2.gz HPTAIBOOBFOPJQ-AWEZNQCLSA-N -1 0 348.251 3.795 20 0 EHADRM C[C@@H](NC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1)[C@H](C)C(=O)[O-] ZINC000263412852 1036880689 /nfs/dbraw/zinc/88/06/89/1036880689.db2.gz HILVCHLVXFIDDH-VHSXEESVSA-N -1 0 344.238 3.641 20 0 EHADRM C[C@@H]1CC[C@@]2(CCN(C(=O)N=c3[n-]nc(-c4ccsc4)s3)C2)C1 ZINC000541972616 1036924353 /nfs/dbraw/zinc/92/43/53/1036924353.db2.gz NICKFYVSUSCOBF-BDJLRTHQSA-N -1 0 348.497 3.733 20 0 EHADRM CCC(CC)c1cc(C(=O)N[C@H]2CCCCCC[C@@H]2C(=O)[O-])on1 ZINC000539568427 1036927964 /nfs/dbraw/zinc/92/79/64/1036927964.db2.gz SGKWEZDKHQNBKF-KBPBESRZSA-N -1 0 336.432 3.732 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN1C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000263459876 1036948735 /nfs/dbraw/zinc/94/87/35/1036948735.db2.gz PTIGRIQHBZZZIJ-BFQNTYOBSA-N -1 0 342.222 3.563 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N[C@H](CC(=O)[O-])C3CCCCC3)cc2c1 ZINC000539605092 1036967068 /nfs/dbraw/zinc/96/70/68/1036967068.db2.gz MMMIPICPAMEGBL-MRXNPFEDSA-N -1 0 328.412 3.630 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N[C@@H](CC(=O)[O-])C3CCCCC3)cc2c1 ZINC000539605088 1036968022 /nfs/dbraw/zinc/96/80/22/1036968022.db2.gz MMMIPICPAMEGBL-INIZCTEOSA-N -1 0 328.412 3.630 20 0 EHADRM Cc1ccc2cc(C(=O)N[C@@H](CC(=O)[O-])C3CCCCC3)[nH]c2c1 ZINC000539605780 1036969093 /nfs/dbraw/zinc/96/90/93/1036969093.db2.gz HUTYKNFIYSTXOV-INIZCTEOSA-N -1 0 328.412 3.630 20 0 EHADRM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)[N-]OCCC(F)(F)F ZINC000162605505 1036973155 /nfs/dbraw/zinc/97/31/55/1036973155.db2.gz XYDIAURYUSZQSB-SSDOTTSWSA-N -1 0 346.132 3.761 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCc1ccc(Cl)cc1Cl ZINC000263527517 1037041498 /nfs/dbraw/zinc/04/14/98/1037041498.db2.gz UTJHUDHYLXCHHS-CMPLNLGQSA-N -1 0 344.238 3.638 20 0 EHADRM COCc1cccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)c1 ZINC000176581770 1037051597 /nfs/dbraw/zinc/05/15/97/1037051597.db2.gz KGQSNTKWJQUVCJ-UHFFFAOYSA-N -1 0 345.342 3.653 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)NCCc1ccc2ccccc2c1 ZINC000539676444 1037056785 /nfs/dbraw/zinc/05/67/85/1037056785.db2.gz DFALZDAOJGJWMU-UHFFFAOYSA-N -1 0 347.414 3.830 20 0 EHADRM CC(C)CCc1n[n-]c(=NCc2cc(Cl)ccc2OC(F)F)o1 ZINC000539692374 1037082405 /nfs/dbraw/zinc/08/24/05/1037082405.db2.gz UNQFRQLJZMFBIC-UHFFFAOYSA-N -1 0 345.777 3.947 20 0 EHADRM CC(C)Cc1n[n-]c(=NCc2ccc(-c3c(F)cccc3F)o2)o1 ZINC000539692811 1037085125 /nfs/dbraw/zinc/08/51/25/1037085125.db2.gz CYSYEVNRZBCKGP-UHFFFAOYSA-N -1 0 333.338 3.840 20 0 EHADRM CC(C)c1noc(=NCc2ccc(Cl)c(Br)c2)[n-]1 ZINC000539707859 1037098441 /nfs/dbraw/zinc/09/84/41/1037098441.db2.gz NVCQLCQBNOMART-UHFFFAOYSA-N -1 0 330.613 3.643 20 0 EHADRM CC(C)C[C@H](C(=O)[O-])[S@@](=O)Cc1csc(-c2ccsc2)n1 ZINC000590901669 1037131217 /nfs/dbraw/zinc/13/12/17/1037131217.db2.gz RDFXDQOZESDQQA-GTJPDFRWSA-N -1 0 343.495 3.620 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(C)cc2C)nn1[C@@H](C)C1CC1 ZINC000542234753 1037185722 /nfs/dbraw/zinc/18/57/22/1037185722.db2.gz GTZGYPUWJISFMN-AWEZNQCLSA-N -1 0 333.457 3.580 20 0 EHADRM C[C@H](NC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1)C1CCCC1 ZINC000666530705 1037189558 /nfs/dbraw/zinc/18/95/58/1037189558.db2.gz WPAFRMUSWKCSPA-AWEZNQCLSA-N -1 0 344.455 3.853 20 0 EHADRM O=S(=O)(CCc1ccccc1)[N-][C@H](C1CCCCC1)C(F)(F)F ZINC000542239910 1037202514 /nfs/dbraw/zinc/20/25/14/1037202514.db2.gz MTKYPCCZIWQMRQ-OAHLLOKOSA-N -1 0 349.418 3.660 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)c1ccccc1Sc1ccccc1 ZINC000089287234 1037209338 /nfs/dbraw/zinc/20/93/38/1037209338.db2.gz XBGOQIIPDKBRAW-UHFFFAOYSA-N -1 0 333.434 3.658 20 0 EHADRM CN(C(=O)NCc1cccc(C(=O)[O-])c1)[C@@H]1CCCc2ccccc21 ZINC000666566433 1037214698 /nfs/dbraw/zinc/21/46/98/1037214698.db2.gz NQHKOJGUWRGJRZ-GOSISDBHSA-N -1 0 338.407 3.604 20 0 EHADRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2cnoc2C2CC2)c1 ZINC000414389975 1037254262 /nfs/dbraw/zinc/25/42/62/1037254262.db2.gz URSSYWIWRJGYIX-UHFFFAOYSA-N -1 0 340.832 3.959 20 0 EHADRM COCc1ccccc1S(=O)(=O)[N-]c1ccc(C)cc1SC ZINC000414390849 1037260234 /nfs/dbraw/zinc/26/02/34/1037260234.db2.gz AXJOKUWMJYHJSK-UHFFFAOYSA-N -1 0 337.466 3.664 20 0 EHADRM O=C(Nc1ccc2c(c1)OCCO2)c1c([O-])cc(Cl)cc1Cl ZINC000176934402 1037265501 /nfs/dbraw/zinc/26/55/01/1037265501.db2.gz NBXRUFRIAWZFFJ-UHFFFAOYSA-N -1 0 340.162 3.723 20 0 EHADRM O=S(=O)([N-]c1cnccc1-c1cccc(F)c1)c1ccccc1 ZINC000176979683 1037301187 /nfs/dbraw/zinc/30/11/87/1037301187.db2.gz RVMQDHXHNAILHX-UHFFFAOYSA-N -1 0 328.368 3.689 20 0 EHADRM CC(C)C[C@H](C(=O)N(C)CCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000659121135 1037301760 /nfs/dbraw/zinc/30/17/60/1037301760.db2.gz QGPABKCMIJMRLS-HNNXBMFYSA-N -1 0 325.836 3.793 20 0 EHADRM O=C([O-])C[C@@H]1CSCCN1C(=O)c1cc(Cl)cc2ccccc21 ZINC000659127425 1037319083 /nfs/dbraw/zinc/31/90/83/1037319083.db2.gz HUOOIKOFJXRGOC-CYBMUJFWSA-N -1 0 349.839 3.526 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000659129079 1037328016 /nfs/dbraw/zinc/32/80/16/1037328016.db2.gz BVCXBOPSMYXCSQ-RDJZCZTQSA-N -1 0 339.391 3.834 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000659145088 1037369878 /nfs/dbraw/zinc/36/98/78/1037369878.db2.gz MPXZVVVFTNNDRZ-CEXWTWQISA-N -1 0 343.467 3.891 20 0 EHADRM COCc1cc(NC(=O)c2cccc(C(C)C)c2)cc(C(=O)[O-])c1 ZINC000659149602 1037371679 /nfs/dbraw/zinc/37/16/79/1037371679.db2.gz GRXKLPNMPHFOPA-UHFFFAOYSA-N -1 0 327.380 3.907 20 0 EHADRM CC(C)C[C@H](C(=O)N[C@H](C)[C@@H](C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000659153388 1037387545 /nfs/dbraw/zinc/38/75/45/1037387545.db2.gz KOIRGAVNXYTIOV-JMSVASOKSA-N -1 0 325.836 3.695 20 0 EHADRM CCc1cccc([N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000007057516 1037389360 /nfs/dbraw/zinc/38/93/60/1037389360.db2.gz AENLIIMFLUAKDQ-UHFFFAOYSA-N -1 0 346.271 3.874 20 0 EHADRM COc1ccc(-c2cc3[n-]c(-c4ccncc4)nc(=O)c3s2)cc1 ZINC000053852816 1037392249 /nfs/dbraw/zinc/39/22/49/1037392249.db2.gz NLRIPZAAUFEJAU-UHFFFAOYSA-N -1 0 335.388 3.722 20 0 EHADRM CCS[C@@H]1CCCCN(C(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000177159916 1037404854 /nfs/dbraw/zinc/40/48/54/1037404854.db2.gz GYLQUEXOYAFFJQ-LLVKDONJSA-N -1 0 331.840 3.933 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2coc3c2cccc3C)n1 ZINC000659182098 1037430835 /nfs/dbraw/zinc/43/08/35/1037430835.db2.gz GYSNRLBEJWSQRK-CQSZACIVSA-N -1 0 341.367 3.616 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@H](c2ccccc2)C2CCC2)s1 ZINC000591481336 1037443652 /nfs/dbraw/zinc/44/36/52/1037443652.db2.gz QYUSNOPAOMIOGS-OAHLLOKOSA-N -1 0 330.457 3.575 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCc2ccccc2Cl)[C@H]2CCCC[C@H]12 ZINC000659190291 1037446420 /nfs/dbraw/zinc/44/64/20/1037446420.db2.gz SSUYSZIHWOXVCF-INMHGKMJSA-N -1 0 349.858 3.765 20 0 EHADRM O=C(CCc1cccc(Cl)c1)[N-]S(=O)(=O)C1CCCCC1 ZINC000058075146 1037450760 /nfs/dbraw/zinc/45/07/60/1037450760.db2.gz SGHRNCQQFTUNHE-UHFFFAOYSA-N -1 0 329.849 3.892 20 0 EHADRM Cc1ccc(CCCC(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)s1 ZINC000659191580 1037459091 /nfs/dbraw/zinc/45/90/91/1037459091.db2.gz DKRHWXKVORIEGG-IKGGRYGDSA-N -1 0 349.496 3.871 20 0 EHADRM Cc1nc(=NC[C@@H](C)Sc2ccc(Br)cc2)s[n-]1 ZINC000462843657 1037475290 /nfs/dbraw/zinc/47/52/90/1037475290.db2.gz GXNQZJGNMJAPME-MRVPVSSYSA-N -1 0 344.303 3.624 20 0 EHADRM O=C([O-])C[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)C1CC1 ZINC000659209970 1037480508 /nfs/dbraw/zinc/48/05/08/1037480508.db2.gz PWRSDXDEGVEYTE-QRVBRYPASA-N -1 0 337.419 3.560 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N(Cc2ccco2)C2CCCC2)s1 ZINC000591656012 1037535412 /nfs/dbraw/zinc/53/54/12/1037535412.db2.gz BFSBZNHBBRUHBD-UHFFFAOYSA-N -1 0 348.472 3.872 20 0 EHADRM Cc1ccc(C)c(OCCCCC(=O)N[C@H]2CCC[C@@]2(C)C(=O)[O-])c1 ZINC000659234213 1037545164 /nfs/dbraw/zinc/54/51/64/1037545164.db2.gz FPOPAGVKTPHGGX-FXAWDEMLSA-N -1 0 347.455 3.612 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000659234496 1037548651 /nfs/dbraw/zinc/54/86/51/1037548651.db2.gz KEBFWPSDZMSVRA-UWJYYQICSA-N -1 0 337.419 3.578 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000659242070 1037562769 /nfs/dbraw/zinc/56/27/69/1037562769.db2.gz ZNXRIYWEUPHWLT-XJKSGUPXSA-N -1 0 343.345 3.555 20 0 EHADRM CC(C)=CCC[C@H](C)CC(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000648267158 1037573606 /nfs/dbraw/zinc/57/36/06/1037573606.db2.gz BYLPKYVGOTUSFR-ZDUSSCGKSA-N -1 0 329.400 3.741 20 0 EHADRM CCC[C@](C)(NC(=O)Nc1ccc(CC(F)(F)F)cc1)C(=O)[O-] ZINC000573473254 1037579925 /nfs/dbraw/zinc/57/99/25/1037579925.db2.gz GVWYLYBTBLQLRH-AWEZNQCLSA-N -1 0 332.322 3.556 20 0 EHADRM C[C@H](CC(=O)c1ccccc1)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000151725302 1037587520 /nfs/dbraw/zinc/58/75/20/1037587520.db2.gz CLXWUNINCSVDKF-LLVKDONJSA-N -1 0 340.404 3.508 20 0 EHADRM O=c1nc(CN2CCC(c3ccccc3F)CC2)[n-]c2ccsc21 ZINC000532574055 1037679818 /nfs/dbraw/zinc/67/98/18/1037679818.db2.gz AQHXEJNPJXTRNE-UHFFFAOYSA-N -1 0 343.427 3.916 20 0 EHADRM COc1ccc(O[C@@H](C)CN=c2[n-]nc(-c3ccccc3)s2)cc1 ZINC000463082636 1037757347 /nfs/dbraw/zinc/75/73/47/1037757347.db2.gz JLTKTZNNBSBTRU-ZDUSSCGKSA-N -1 0 341.436 3.515 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)C2CC3(C2)CCCCC3)sc1C(=O)[O-] ZINC000659143484 1037773832 /nfs/dbraw/zinc/77/38/32/1037773832.db2.gz RBKGSMAZHGKCIP-LLVKDONJSA-N -1 0 336.457 3.687 20 0 EHADRM CCCOc1cncc(-c2cccc(C[C@@H](CCOC)C(=O)[O-])c2)c1 ZINC000573862733 1037789169 /nfs/dbraw/zinc/78/91/69/1037789169.db2.gz BAAGKNNOKPVGRK-QGZVFWFLSA-N -1 0 343.423 3.817 20 0 EHADRM Cc1ccc(S(=O)(=O)C=C([O-])c2ccc(F)c(Cl)c2)cc1C ZINC000492067825 1037935940 /nfs/dbraw/zinc/93/59/40/1037935940.db2.gz YPVDXNYTNURNSX-UHFFFAOYSA-N -1 0 340.803 3.753 20 0 EHADRM Cc1cccc([C@H](C)Sc2n[n-]c(=NC[C@@H]3CCCO3)s2)c1 ZINC000463261533 1037944638 /nfs/dbraw/zinc/94/46/38/1037944638.db2.gz UYSKPTPZWKPYRK-JSGCOSHPSA-N -1 0 335.498 3.713 20 0 EHADRM CCN=c1[n-]nc(SCc2ccccc2OCC(F)(F)F)s1 ZINC000463254495 1037957300 /nfs/dbraw/zinc/95/73/00/1037957300.db2.gz DSCNJRBZDRBYCU-UHFFFAOYSA-N -1 0 349.403 3.625 20 0 EHADRM COC[C@@H](C)Sc1n[n-]c(=Nc2cccc(Cl)c2C)s1 ZINC000463268378 1037971420 /nfs/dbraw/zinc/97/14/20/1037971420.db2.gz UQQAWBWRBFYWRX-MRVPVSSYSA-N -1 0 329.878 3.792 20 0 EHADRM O=C(NCc1ccc(Cl)cc1)c1cccc(Br)c1[O-] ZINC000592447775 1037983274 /nfs/dbraw/zinc/98/32/74/1037983274.db2.gz XOHRNJNXFJGAAR-UHFFFAOYSA-N -1 0 340.604 3.738 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)c2cc(C)nn2C(CC)CC)s1 ZINC000540506278 1038027453 /nfs/dbraw/zinc/02/74/53/1038027453.db2.gz COPCLHHOOQILET-UHFFFAOYSA-N -1 0 349.504 3.982 20 0 EHADRM O=C([O-])C1CCN(C(=O)/C=C\c2cccc(-c3ccccc3)c2)CC1 ZINC000492172662 1038077071 /nfs/dbraw/zinc/07/70/71/1038077071.db2.gz WHOTZUAEOGIUHX-KTKRTIGZSA-N -1 0 335.403 3.690 20 0 EHADRM O=C([N-]CCCSCc1ncc(Cl)cc1Cl)C(F)(F)F ZINC000180538019 1038203797 /nfs/dbraw/zinc/20/37/97/1038203797.db2.gz LHMGIVMTRXTELL-UHFFFAOYSA-N -1 0 347.189 3.690 20 0 EHADRM O=S(=O)([N-]c1ccccc1F)c1ccc(C(F)(F)F)s1 ZINC000461332026 1038347271 /nfs/dbraw/zinc/34/72/71/1038347271.db2.gz MLSWZKGRFWRNNG-UHFFFAOYSA-N -1 0 325.308 3.707 20 0 EHADRM Cc1ccc(CN=c2[n-]nc(Cc3ccc(Cl)cc3)o2)c(C)c1 ZINC000538506896 1038347897 /nfs/dbraw/zinc/34/78/97/1038347897.db2.gz KLGRDDGPNBSEMN-UHFFFAOYSA-N -1 0 327.815 3.965 20 0 EHADRM Fc1ccccc1CN=c1[n-]nc(Cc2cccc3ccccc32)o1 ZINC000538507339 1038348109 /nfs/dbraw/zinc/34/81/09/1038348109.db2.gz XNGRNQRIYSUSAN-UHFFFAOYSA-N -1 0 333.366 3.987 20 0 EHADRM CC(C)Oc1cccc(CC(=O)N[C@H](CC(=O)[O-])C2CCCCC2)c1 ZINC000538514567 1038352502 /nfs/dbraw/zinc/35/25/02/1038352502.db2.gz KNLWIVYINHGWTC-GOSISDBHSA-N -1 0 347.455 3.556 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C/C=C\c1ccc(F)cc1)C1CCCCC1 ZINC000538514768 1038352583 /nfs/dbraw/zinc/35/25/83/1038352583.db2.gz RBYUFGUHGUTKKB-CHYADLBTSA-N -1 0 333.403 3.769 20 0 EHADRM CCCC[C@@H](C)N(C)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000416233139 1038384360 /nfs/dbraw/zinc/38/43/60/1038384360.db2.gz IBLORVHFQNPXGS-SECBINFHSA-N -1 0 332.213 3.945 20 0 EHADRM CC(C)c1ccc(CN=c2[n-]nc(Cc3cccc(F)c3)o2)cc1 ZINC000538592904 1038404860 /nfs/dbraw/zinc/40/48/60/1038404860.db2.gz WVCJQXBRHIYYBH-UHFFFAOYSA-N -1 0 325.387 3.957 20 0 EHADRM CC(C)CCc1n[n-]c(=NCc2ccc(Br)cc2F)o1 ZINC000538592045 1038421625 /nfs/dbraw/zinc/42/16/25/1038421625.db2.gz UONLIJFYNNKDEA-UHFFFAOYSA-N -1 0 342.212 3.594 20 0 EHADRM CCCc1nc(=NCc2cccc(NC(=O)CC(C)C)c2)s[n-]1 ZINC000461784207 1038607923 /nfs/dbraw/zinc/60/79/23/1038607923.db2.gz ILALBQOQZAITCG-UHFFFAOYSA-N -1 0 332.473 3.509 20 0 EHADRM C[C@H](CC(=O)NCC1(C(=O)[O-])CCCCC1)Cc1cccc(F)c1 ZINC000431869471 1038629992 /nfs/dbraw/zinc/62/99/92/1038629992.db2.gz JWIKMKDYTDUZIZ-AWEZNQCLSA-N -1 0 335.419 3.546 20 0 EHADRM C[C@@H]1CC(C(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)C[C@@H](C)O1 ZINC000416416134 1038651622 /nfs/dbraw/zinc/65/16/22/1038651622.db2.gz KEXKJKIRSWQUCL-CPUCHLNUSA-N -1 0 339.476 3.510 20 0 EHADRM C[C@@H](O)[C@@H](N=c1nc(C2CCCCC2)[n-]s1)c1ccccc1F ZINC000651383657 1038667261 /nfs/dbraw/zinc/66/72/61/1038667261.db2.gz HQKVFPZYDYHKHW-IAQYHMDHSA-N -1 0 335.448 3.681 20 0 EHADRM CCN(C(=O)c1nn(-c2cc(C)ccc2F)cc1[O-])c1ccccc1 ZINC000539227095 1038740251 /nfs/dbraw/zinc/74/02/51/1038740251.db2.gz OGYFRMJFUMJMQD-UHFFFAOYSA-N -1 0 339.370 3.692 20 0 EHADRM CC[C@@](C)([N-]S(=O)(=O)CCc1cccc(Cl)c1)C(F)(F)F ZINC000552034019 1038750054 /nfs/dbraw/zinc/75/00/54/1038750054.db2.gz SCTSLYFUNSQJCX-GFCCVEGCSA-N -1 0 343.798 3.533 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(Cl)cc(C)c2O)c1 ZINC000462104424 1038751914 /nfs/dbraw/zinc/75/19/14/1038751914.db2.gz QPYNDKIREZZACO-UHFFFAOYSA-N -1 0 329.780 3.602 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)Cc1cccc(C(F)F)c1)C1CCCCC1 ZINC000910234943 1038777994 /nfs/dbraw/zinc/77/79/94/1038777994.db2.gz ZKVDFTXAAPFJOR-HNNXBMFYSA-N -1 0 339.382 3.564 20 0 EHADRM COc1ccc([C@@H]2CCCN2c2ccc(C(=O)[O-])c(C)n2)cc1F ZINC000910318872 1038824513 /nfs/dbraw/zinc/82/45/13/1038824513.db2.gz WSTZIDMXWATOOC-HNNXBMFYSA-N -1 0 330.359 3.577 20 0 EHADRM Cc1cc([C@H](NCc2noc3c2CC(C)(C)CC3)C(=O)[O-])ccc1F ZINC000905385898 1038840063 /nfs/dbraw/zinc/84/00/63/1038840063.db2.gz YMZVKQPYYGBQAG-KRWDZBQOSA-N -1 0 346.402 3.553 20 0 EHADRM Cc1nc(C(F)(F)F)c(CN(C)[C@H](C(=O)[O-])c2ccccc2)s1 ZINC000905372215 1038847623 /nfs/dbraw/zinc/84/76/23/1038847623.db2.gz IHMNDYJHAFMBEA-LBPRGKRZSA-N -1 0 344.358 3.728 20 0 EHADRM Cc1cccc([C@H](NCc2nc(C(F)(F)F)cs2)C(=O)[O-])c1C ZINC000905401400 1038858514 /nfs/dbraw/zinc/85/85/14/1038858514.db2.gz RKWCWBYFDYWCMG-ZDUSSCGKSA-N -1 0 344.358 3.694 20 0 EHADRM Cc1c2ccccc2nc(N2CC[C@@H](c3ccncc3)C2)c1C(=O)[O-] ZINC000910373837 1038870779 /nfs/dbraw/zinc/87/07/79/1038870779.db2.gz KITDIOXTVUFRAP-OAHLLOKOSA-N -1 0 333.391 3.630 20 0 EHADRM C[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1ccccc1Cl)c1ccco1 ZINC000910405586 1038887427 /nfs/dbraw/zinc/88/74/27/1038887427.db2.gz IZQKBOHDXKFYFQ-SMDDNHRTSA-N -1 0 335.787 3.759 20 0 EHADRM O=C([O-])c1ccccc1-c1ccccc1C(=O)N1CCC[C@@H](CF)C1 ZINC000910408941 1038900202 /nfs/dbraw/zinc/90/02/02/1038900202.db2.gz VTGIECNMDVGDLR-AWEZNQCLSA-N -1 0 341.382 3.874 20 0 EHADRM C[C@@H](C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccc(Cl)cc1 ZINC000910478692 1038933452 /nfs/dbraw/zinc/93/34/52/1038933452.db2.gz MCKLRPDZFNAWLP-ZTFRIQLXSA-N -1 0 343.810 3.873 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCCSC[C@H]1c1ccccc1 ZINC000910513126 1038940302 /nfs/dbraw/zinc/94/03/02/1038940302.db2.gz NBZBQBFEZUKQBG-HNNXBMFYSA-N -1 0 345.420 3.607 20 0 EHADRM CCCCN(C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)[C@H](C)c1ccccc1 ZINC000910536564 1038957888 /nfs/dbraw/zinc/95/78/88/1038957888.db2.gz UDOUXCMAHBEPSQ-BPQIPLTHSA-N -1 0 347.455 3.646 20 0 EHADRM Cc1cnc([C@H](C)Sc2n[n-]c(=Nc3cccc(F)c3)s2)cn1 ZINC000488238777 1038996858 /nfs/dbraw/zinc/99/68/58/1038996858.db2.gz XIKVMZOXNVAQNU-JTQLQIEISA-N -1 0 347.444 3.794 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)Cc2cccc(C(=O)[O-])c2)c1C1CC1 ZINC000910648893 1039002706 /nfs/dbraw/zinc/00/27/06/1039002706.db2.gz NSDBEEFIWCCVNW-LBPRGKRZSA-N -1 0 341.411 3.611 20 0 EHADRM CC[C@H](C)n1nc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1C ZINC000910650685 1039003165 /nfs/dbraw/zinc/00/31/65/1039003165.db2.gz YCDUMIFELLVGFM-KAMYHZANSA-N -1 0 333.432 3.526 20 0 EHADRM CCc1c(NC(=O)CC(C)(C)CC(=O)[O-])cnn1-c1ccccc1C ZINC000910658343 1039007957 /nfs/dbraw/zinc/00/79/57/1039007957.db2.gz IAZQHLDJKYHQFK-UHFFFAOYSA-N -1 0 343.427 3.573 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)cc1O ZINC000485400992 1039011468 /nfs/dbraw/zinc/01/14/68/1039011468.db2.gz FKCKFFYUXALKHW-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM CN(C(=O)N=c1[n-]nc(C(C)(C)c2ccccc2)s1)[C@@H]1CC1(C)C ZINC000488284298 1039035994 /nfs/dbraw/zinc/03/59/94/1039035994.db2.gz VNHKUXPAMIINLN-CYBMUJFWSA-N -1 0 344.484 3.548 20 0 EHADRM CCc1csc([C@H](C)NC(=O)c2cc(F)c([O-])c(Cl)c2)n1 ZINC000910736655 1039043772 /nfs/dbraw/zinc/04/37/72/1039043772.db2.gz NHINZMGFHDQMAH-ZETCQYMHSA-N -1 0 328.796 3.695 20 0 EHADRM Fc1cc(F)c(CN=c2nc(-c3ccccc3)[n-]s2)c(F)c1F ZINC000485415941 1039053279 /nfs/dbraw/zinc/05/32/79/1039053279.db2.gz NKABXJNZASSCAE-UHFFFAOYSA-N -1 0 339.317 3.796 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)/C=C/C2CCCC2)nc1C(=O)[O-] ZINC000910717685 1039055142 /nfs/dbraw/zinc/05/51/42/1039055142.db2.gz FSEVOVVZMVUTIS-XEHSLEBBSA-N -1 0 334.441 3.560 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)/C=C/c2ccsc2)nc1C(=O)[O-] ZINC000910719329 1039058088 /nfs/dbraw/zinc/05/80/88/1039058088.db2.gz HXWDLCFAQZWMDK-ITKZLYELSA-N -1 0 348.449 3.588 20 0 EHADRM Cc1ccc(CNCc2ccc(C(=O)[O-])cn2)c(OC(C)(C)C)c1 ZINC000905725955 1039061361 /nfs/dbraw/zinc/06/13/61/1039061361.db2.gz ARJQDGQSNHTCII-UHFFFAOYSA-N -1 0 328.412 3.555 20 0 EHADRM O=C([O-])C12CCC(C(=O)NCCC3(c4ccccc4)CC3)(CC1)CC2 ZINC000910804136 1039102206 /nfs/dbraw/zinc/10/22/06/1039102206.db2.gz ARZHZAGRYDASNB-UHFFFAOYSA-N -1 0 341.451 3.650 20 0 EHADRM O=C([O-])CC1CC(NC(=O)c2sc3cccc(F)c3c2Cl)C1 ZINC000910804784 1039102475 /nfs/dbraw/zinc/10/24/75/1039102475.db2.gz JYQSETRACDSZLH-UHFFFAOYSA-N -1 0 341.791 3.677 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc3cc(Cl)ccc3s2)C[C@H]1CC(=O)[O-] ZINC000910855269 1039122010 /nfs/dbraw/zinc/12/20/10/1039122010.db2.gz QUJHTEPEICOQLD-MWLCHTKSSA-N -1 0 337.828 3.738 20 0 EHADRM C[C@H]1CC(C)(C)c2cccc(NC(=O)c3ccoc3CC(=O)[O-])c21 ZINC000910955684 1039156916 /nfs/dbraw/zinc/15/69/16/1039156916.db2.gz SJZUHZJNXWQRDS-NSHDSACASA-N -1 0 327.380 3.944 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2Cl)CC1 ZINC000554282790 1039157362 /nfs/dbraw/zinc/15/73/62/1039157362.db2.gz KUHOWFVQSGDQAX-GJZGRUSLSA-N -1 0 335.831 3.547 20 0 EHADRM CCN(C(=O)CCc1ncc(C(C)(C)C)o1)c1cccc(C(=O)[O-])c1 ZINC000910969561 1039171612 /nfs/dbraw/zinc/17/16/12/1039171612.db2.gz ZUQIVKBFRZKGOZ-UHFFFAOYSA-N -1 0 344.411 3.656 20 0 EHADRM CCN(C(=O)c1cc(C)n([C@@H](C)C2CC2)n1)c1cccc(C(=O)[O-])c1 ZINC000910968102 1039172831 /nfs/dbraw/zinc/17/28/31/1039172831.db2.gz RHICNGQJWXTITB-ZDUSSCGKSA-N -1 0 341.411 3.527 20 0 EHADRM Cc1cccc([C@@H]([N-]S(=O)(=O)c2cccc(C)c2)C(F)(F)F)c1 ZINC000512447032 1039191400 /nfs/dbraw/zinc/19/14/00/1039191400.db2.gz ITRCTBHARAOCPF-OAHLLOKOSA-N -1 0 343.370 3.885 20 0 EHADRM CCCCSCC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000128145016 1039203482 /nfs/dbraw/zinc/20/34/82/1039203482.db2.gz IDWADMBNPQAWRL-UHFFFAOYSA-N -1 0 346.246 3.619 20 0 EHADRM CCCC[C@@H](CC)CC(=O)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC000911036410 1039209411 /nfs/dbraw/zinc/20/94/11/1039209411.db2.gz YHIUGDSPABPNBK-CHWSQXEVSA-N -1 0 338.473 3.764 20 0 EHADRM C[C@@H](Cc1ccncc1)N=c1[n-]nc(-c2ccccc2Cl)s1 ZINC000545473203 1039223496 /nfs/dbraw/zinc/22/34/96/1039223496.db2.gz HXKRPWJTUFAVQW-NSHDSACASA-N -1 0 330.844 3.719 20 0 EHADRM CCCCC[C@@H](C)CC(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000236802605 1039257445 /nfs/dbraw/zinc/25/74/45/1039257445.db2.gz HBQFJAYPLCOVSX-ZYHUDNBSSA-N -1 0 326.462 3.933 20 0 EHADRM Cc1ccc2c(ccc(C)c2C(=O)N[C@H](CC(=O)[O-])C(F)(F)F)c1 ZINC000911157754 1039262729 /nfs/dbraw/zinc/26/27/29/1039262729.db2.gz VGVRKQBSSOHIRG-CYBMUJFWSA-N -1 0 339.313 3.592 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C ZINC000236825673 1039263599 /nfs/dbraw/zinc/26/35/99/1039263599.db2.gz SAXKSDWGLLEAIK-OAHLLOKOSA-N -1 0 342.439 3.651 20 0 EHADRM CCN(Cc1cccs1)C(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000236987877 1039291282 /nfs/dbraw/zinc/29/12/82/1039291282.db2.gz GBKRXRJHPAJVCW-GFCCVEGCSA-N -1 0 349.477 3.976 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000237501227 1039321249 /nfs/dbraw/zinc/32/12/49/1039321249.db2.gz HRDYSNIRZHRQQL-JTQLQIEISA-N -1 0 332.227 3.686 20 0 EHADRM Cc1n[n-]c(=NC[C@H](OCc2ccccc2)c2ccc(Cl)cc2)o1 ZINC000488674859 1039335380 /nfs/dbraw/zinc/33/53/80/1039335380.db2.gz NCQRCZYRBBBFQV-KRWDZBQOSA-N -1 0 343.814 3.823 20 0 EHADRM Cc1ccc(C(C)(C)CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1 ZINC000911343485 1039338703 /nfs/dbraw/zinc/33/87/03/1039338703.db2.gz PZYSCRZIZKOHNJ-UHFFFAOYSA-N -1 0 343.467 3.814 20 0 EHADRM CC1(C)Cc2c(cccc2Br)[C@@H]1N=c1[n-]nc(C2CC2)o1 ZINC000488714469 1039353800 /nfs/dbraw/zinc/35/38/00/1039353800.db2.gz NMGLBFRJKQWAAH-ZDUSSCGKSA-N -1 0 348.244 3.867 20 0 EHADRM Cc1nc(C)c([C@@H](C)N(C)C(=O)/C=C/c2ccc(C(=O)[O-])cc2)s1 ZINC000237411100 1039357903 /nfs/dbraw/zinc/35/79/03/1039357903.db2.gz VBMOFMODFQFSKV-OFFHKIPUSA-N -1 0 344.436 3.691 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000237404615 1039359025 /nfs/dbraw/zinc/35/90/25/1039359025.db2.gz UUKSPNHXDVLNQU-NXEZZACHSA-N -1 0 332.227 3.542 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)c1occc1CSc1ccccc1 ZINC000237418257 1039360661 /nfs/dbraw/zinc/36/06/61/1039360661.db2.gz BGBCXPBWQMFDPG-GFCCVEGCSA-N -1 0 333.409 3.555 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N(C)[C@@H](C)c2ccc(C)cc2C)s1 ZINC000511599594 1039363817 /nfs/dbraw/zinc/36/38/17/1039363817.db2.gz SCIICUIHTDVEMY-ZDUSSCGKSA-N -1 0 332.473 3.754 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000324312143 1039369315 /nfs/dbraw/zinc/36/93/15/1039369315.db2.gz RROLWHBRNDJSAR-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)[N-]S(=O)(=O)CCCF ZINC000080314005 1039385142 /nfs/dbraw/zinc/38/51/42/1039385142.db2.gz ZUBZEOPSLPIADO-AWEZNQCLSA-N -1 0 345.436 3.613 20 0 EHADRM O=C(N[C@H]1CCCN(c2ccccc2F)C1)c1ccc([O-])c(Cl)c1 ZINC000155932762 1039389993 /nfs/dbraw/zinc/38/99/93/1039389993.db2.gz DEYDAVWWLFJLRK-ZDUSSCGKSA-N -1 0 348.805 3.584 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)[C@@H]1CSc2ccccc21 ZINC000237596819 1039393693 /nfs/dbraw/zinc/39/36/93/1039393693.db2.gz RAGOERNEMOVOIY-HZPDHXFCSA-N -1 0 341.432 3.517 20 0 EHADRM Cc1cccc2c(CC(=O)NCCCCCCCC(=O)[O-])c[nH]c21 ZINC000237674364 1039409900 /nfs/dbraw/zinc/40/99/00/1039409900.db2.gz LLMFBEMNSQKSDI-UHFFFAOYSA-N -1 0 330.428 3.560 20 0 EHADRM CO[C@@H](C(=O)[O-])c1ccc(-c2ccc(C(F)(F)F)cc2CO)s1 ZINC000906251887 1039411532 /nfs/dbraw/zinc/41/15/32/1039411532.db2.gz ZDOJSXJVLGCISC-CYBMUJFWSA-N -1 0 346.326 3.698 20 0 EHADRM CC(C)(C)c1ccccc1C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000552624836 1039415263 /nfs/dbraw/zinc/41/52/63/1039415263.db2.gz ZPMKJRDWEFXVKA-UHFFFAOYSA-N -1 0 336.395 3.727 20 0 EHADRM O=C(C[C@@H]1CCCc2ccccc21)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000552625965 1039415371 /nfs/dbraw/zinc/41/53/71/1039415371.db2.gz GUGXQORABISTHR-AWEZNQCLSA-N -1 0 348.406 3.626 20 0 EHADRM Cc1sc(C(=O)N(CCC(=O)[O-])C2CC2)cc1-c1ccc(F)cc1 ZINC000237695216 1039421185 /nfs/dbraw/zinc/42/11/85/1039421185.db2.gz ZOIIUJUIGFYIDS-UHFFFAOYSA-N -1 0 347.411 3.942 20 0 EHADRM C/C(=C\C1CCC(C)CC1)C(=O)N[C@@](C)(CC(=O)[O-])c1ccncc1 ZINC000911626722 1039440326 /nfs/dbraw/zinc/44/03/26/1039440326.db2.gz ULMUXHLRZSPZCI-KYUBUUTCSA-N -1 0 344.455 3.660 20 0 EHADRM CC(C)(CCC(=O)[O-])C(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000911664484 1039444485 /nfs/dbraw/zinc/44/44/85/1039444485.db2.gz LONWXIRHTQXOLO-MRXNPFEDSA-N -1 0 333.403 3.769 20 0 EHADRM Cc1cc(F)c(NC(=O)c2scnc2C(C)(C)C)cc1C(=O)[O-] ZINC000911680195 1039454871 /nfs/dbraw/zinc/45/48/71/1039454871.db2.gz AZHRRNMOVWPCLA-UHFFFAOYSA-N -1 0 336.388 3.839 20 0 EHADRM COc1ccc(C[C@H](C)C(=O)Nc2cc(C(=O)[O-])c(C)cc2F)cc1 ZINC000911681392 1039455749 /nfs/dbraw/zinc/45/57/49/1039455749.db2.gz LMCXJCPGVIQRBS-LBPRGKRZSA-N -1 0 345.370 3.658 20 0 EHADRM Cc1cc(C)cc(CS(=O)(=O)[N-][C@@H](C(C)(C)C)C(F)(F)F)c1 ZINC000554539340 1039456871 /nfs/dbraw/zinc/45/68/71/1039456871.db2.gz XVSOECWBXABWQM-ZDUSSCGKSA-N -1 0 337.407 3.700 20 0 EHADRM COc1cccc2c1[C@H](C(=O)Nc1cc(C(=O)[O-])c(C)cc1F)CC2 ZINC000911686938 1039459925 /nfs/dbraw/zinc/45/99/25/1039459925.db2.gz PDFICCDUYOHMPU-GFCCVEGCSA-N -1 0 343.354 3.509 20 0 EHADRM Cc1cc(F)c(NC(=O)C[C@@H]2CCC3(CCC3)CO2)cc1C(=O)[O-] ZINC000911689881 1039463322 /nfs/dbraw/zinc/46/33/22/1039463322.db2.gz VZCDXPYJGQAJCU-LBPRGKRZSA-N -1 0 335.375 3.510 20 0 EHADRM Cc1ccc(CCC(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])cc1 ZINC000485731035 1039474416 /nfs/dbraw/zinc/47/44/16/1039474416.db2.gz GYASUEWBCABGLH-QGZVFWFLSA-N -1 0 339.435 3.677 20 0 EHADRM CCC(CC)(CC(=O)NCCCc1cccc(Cl)c1)C(=O)[O-] ZINC000478474693 1039478494 /nfs/dbraw/zinc/47/84/94/1039478494.db2.gz MRXAVXRBYCCSHX-UHFFFAOYSA-N -1 0 325.836 3.670 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000911740787 1039480833 /nfs/dbraw/zinc/48/08/33/1039480833.db2.gz HDCVWGYXYDDZKQ-YUSALJHKSA-N -1 0 344.238 3.857 20 0 EHADRM O=S(=O)([N-]c1cc(C2CCCC2)[nH]n1)c1cc(F)cc(Cl)c1 ZINC000554584651 1039513148 /nfs/dbraw/zinc/51/31/48/1039513148.db2.gz ZDJPZSQQCBKKNP-UHFFFAOYSA-N -1 0 343.811 3.661 20 0 EHADRM Cc1cc(Nc2sc3c(c2C(N)=O)C[C@@H](C)CC3)ccc1C(=O)[O-] ZINC001211652994 1039521386 /nfs/dbraw/zinc/52/13/86/1039521386.db2.gz VSJLZHKJNFQNGE-VIFPVBQESA-N -1 0 344.436 3.722 20 0 EHADRM CCCOc1cc(C)ccc1CN=c1[n-]nc(C(F)(F)F)s1 ZINC000480441045 1039551233 /nfs/dbraw/zinc/55/12/33/1039551233.db2.gz BRMWFRLBGPVXHE-UHFFFAOYSA-N -1 0 331.363 3.688 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N2C[C@@H]3CC[C@H]2c2ccccc23)cc1 ZINC000898836980 1039588098 /nfs/dbraw/zinc/58/80/98/1039588098.db2.gz YNKJUQKIKHWQJR-YJBOKZPZSA-N -1 0 336.391 3.529 20 0 EHADRM CCCCCOc1ccc(C(=O)NCc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000485853532 1039633098 /nfs/dbraw/zinc/63/30/98/1039633098.db2.gz KZNXLFBEUKJPEM-UHFFFAOYSA-N -1 0 345.395 3.785 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3C)[nH]n2)cc1F ZINC000485884119 1039645594 /nfs/dbraw/zinc/64/55/94/1039645594.db2.gz UFSPAWTUEGESMJ-UHFFFAOYSA-N -1 0 345.399 3.633 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(-c3ccccc3C)[nH]n2)c1 ZINC000485882923 1039645715 /nfs/dbraw/zinc/64/57/15/1039645715.db2.gz NEFXLSNCSZMLFW-UHFFFAOYSA-N -1 0 345.399 3.633 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)c2cc3cc(Cl)sc3[nH]2)s1 ZINC000485871959 1039650553 /nfs/dbraw/zinc/65/05/53/1039650553.db2.gz RHAJNYRKKDXQBD-UHFFFAOYSA-N -1 0 340.861 3.607 20 0 EHADRM Cc1ccc(Cc2n[n-]c(=NC(=O)N3CCCC[C@@H](C)C3)s2)cc1 ZINC000480550435 1039672813 /nfs/dbraw/zinc/67/28/13/1039672813.db2.gz FBQVGGXYHPGUHI-CQSZACIVSA-N -1 0 344.484 3.513 20 0 EHADRM CN(CCCCc1ccccc1)C(=O)N=c1[n-]nc(C(C)(C)C)s1 ZINC000511618082 1039683267 /nfs/dbraw/zinc/68/32/67/1039683267.db2.gz WCQFSLKGFSNBIJ-UHFFFAOYSA-N -1 0 346.500 3.744 20 0 EHADRM C(CSc1n[n-]c(=NC2CCCCC2)s1)OC1CCCC1 ZINC000431938970 1039708216 /nfs/dbraw/zinc/70/82/16/1039708216.db2.gz OFHDJEWOLRHBNY-UHFFFAOYSA-N -1 0 327.519 3.756 20 0 EHADRM CC(C)N(C)c1ccc(/C=C/c2nc3cc(C(=O)[O-])ccc3o2)cn1 ZINC000485982953 1039750057 /nfs/dbraw/zinc/75/00/57/1039750057.db2.gz VZUHMZYYEAHAKJ-WEVVVXLNSA-N -1 0 337.379 3.936 20 0 EHADRM O=C([O-])c1cnc(N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)nc1 ZINC000570399515 1039769225 /nfs/dbraw/zinc/76/92/25/1039769225.db2.gz FIZPZHTUTMKNDP-CYBMUJFWSA-N -1 0 337.301 3.757 20 0 EHADRM C[C@H](NCc1ccc(F)cc1C(F)(F)F)c1ncc(C(=O)[O-])s1 ZINC000584781817 1039820082 /nfs/dbraw/zinc/82/00/82/1039820082.db2.gz RSAKYRHWRPVTMX-ZETCQYMHSA-N -1 0 348.321 3.850 20 0 EHADRM O=C([O-])c1cc(Br)ccc1NC1(C2CCOCC2)CC1 ZINC001167743764 1039886926 /nfs/dbraw/zinc/88/69/26/1039886926.db2.gz OPLBQIFSEPYAOR-UHFFFAOYSA-N -1 0 340.217 3.518 20 0 EHADRM Clc1cccc([C@H]2C[C@H](N=c3[n-]nc(-c4ccon4)s3)C2)c1 ZINC000553227266 1039892817 /nfs/dbraw/zinc/89/28/17/1039892817.db2.gz BFMCLBCGYOLFAT-UMSPYCQHSA-N -1 0 332.816 3.627 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccnc2OC(C)C)sc1Cl ZINC000473398705 1039921655 /nfs/dbraw/zinc/92/16/55/1039921655.db2.gz KMSHNQDYULRMKM-UHFFFAOYSA-N -1 0 346.861 3.693 20 0 EHADRM C[C@@H]1CC[C@H](CSc2n[n-]c(=Nc3ccccc3F)s2)O1 ZINC000473402872 1039925731 /nfs/dbraw/zinc/92/57/31/1039925731.db2.gz SEOVOEPPNNPYNA-NXEZZACHSA-N -1 0 325.434 3.502 20 0 EHADRM FC(F)(F)c1nc(=NCc2ccc(-c3ccccc3)o2)s[n-]1 ZINC000553289794 1039936183 /nfs/dbraw/zinc/93/61/83/1039936183.db2.gz MOTFCQPEYMKWBN-UHFFFAOYSA-N -1 0 325.315 3.851 20 0 EHADRM CCc1cnc(CN[C@]2(C(=O)[O-])C[C@H](C(C)C)c3ccccc32)s1 ZINC000417562161 1040010559 /nfs/dbraw/zinc/01/05/59/1040010559.db2.gz BPMYSVKPHWYSIQ-DNVCBOLYSA-N -1 0 344.480 3.919 20 0 EHADRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNc1nccs1 ZINC000894051351 1040012029 /nfs/dbraw/zinc/01/20/29/1040012029.db2.gz HDEIBFQLFDOFCK-HNNXBMFYSA-N -1 0 342.468 3.678 20 0 EHADRM CCc1nc(CN[C@]2(C(=O)[O-])C[C@@H](C(C)C)c3ccccc32)cs1 ZINC000417575347 1040038588 /nfs/dbraw/zinc/03/85/88/1040038588.db2.gz FPNAFKNSWDUVPL-HNAYVOBHSA-N -1 0 344.480 3.919 20 0 EHADRM COc1cc(CNc2ccc([C@@H](C)CC(=O)[O-])cc2)cc(OC)c1 ZINC000417612586 1040081622 /nfs/dbraw/zinc/08/16/22/1040081622.db2.gz RFSDIMUGLXTAPD-ZDUSSCGKSA-N -1 0 329.396 3.894 20 0 EHADRM COCCOc1ccc(CNc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1 ZINC000417616374 1040085797 /nfs/dbraw/zinc/08/57/97/1040085797.db2.gz YULVJDYJHJZCLF-HNNXBMFYSA-N -1 0 343.423 3.587 20 0 EHADRM COc1ccc(CNc2cc(CCC(=O)[O-])ccc2OC)cc1C ZINC000417631210 1040093885 /nfs/dbraw/zinc/09/38/85/1040093885.db2.gz VQMBLSNYSNRGFS-UHFFFAOYSA-N -1 0 329.396 3.642 20 0 EHADRM CSCc1ccc(NC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)cc1 ZINC000907564269 1040096481 /nfs/dbraw/zinc/09/64/81/1040096481.db2.gz BXSRHBRNHICIIZ-VQIMIIECSA-N -1 0 341.432 3.747 20 0 EHADRM Cc1nn(C(C)(C)C)c(C)c1C[NH2+]Cc1ccc(C(=O)[O-])c(C)c1 ZINC000417665888 1040144578 /nfs/dbraw/zinc/14/45/78/1040144578.db2.gz DUMCUKXGSSQQAC-UHFFFAOYSA-N -1 0 329.444 3.551 20 0 EHADRM O=C([O-])[C@@]1(C(=O)N2C[C@@H]3CC[C@H]2c2ccccc23)C[C@@H]1c1ccccc1 ZINC000907760159 1040156594 /nfs/dbraw/zinc/15/65/94/1040156594.db2.gz FTHVASWYRFMLAC-AKYGZRSFSA-N -1 0 347.414 3.706 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2nc(C3CCC3)cs2)C[C@@H]1c1ccccc1 ZINC000907767313 1040159271 /nfs/dbraw/zinc/15/92/71/1040159271.db2.gz SKUMZIBTJWXNBQ-ACJLOTCBSA-N -1 0 342.420 3.608 20 0 EHADRM CCCc1ccccc1C(=O)N1CCC(C(=O)[O-])(C(F)(F)F)CC1 ZINC000907784894 1040170470 /nfs/dbraw/zinc/17/04/70/1040170470.db2.gz ARKNQORWIWPWIZ-UHFFFAOYSA-N -1 0 343.345 3.508 20 0 EHADRM CCc1nc(=NCc2cnc(-c3ccc(Cl)cc3)s2)s[n-]1 ZINC000553592619 1040205209 /nfs/dbraw/zinc/20/52/09/1040205209.db2.gz UBVGODXTLYZVQM-UHFFFAOYSA-N -1 0 336.873 3.911 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N[C@@H]3C[C@@H]4C[C@H](C(=O)[O-])C[C@H]34)[nH]c2c1 ZINC000907928475 1040234347 /nfs/dbraw/zinc/23/43/47/1040234347.db2.gz BPOILSHPUASGJR-QBYUYEEZSA-N -1 0 340.423 3.520 20 0 EHADRM C[C@@H](C(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@H]12)c1ccc2ccccc2c1 ZINC000907961741 1040246534 /nfs/dbraw/zinc/24/65/34/1040246534.db2.gz WETBLSQKSQRUMH-VXKDUJCOSA-N -1 0 337.419 3.559 20 0 EHADRM O=C([O-])c1cccc2c1CCN2C(=O)c1cc(C2CC2)oc1C1CC1 ZINC000907981462 1040257679 /nfs/dbraw/zinc/25/76/79/1040257679.db2.gz GHRWRZCJUQGEBP-UHFFFAOYSA-N -1 0 337.375 3.936 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)CCc1ccc(C(F)F)cc1 ZINC000908030906 1040273590 /nfs/dbraw/zinc/27/35/90/1040273590.db2.gz NTSROAJXNVWWJN-ZDUSSCGKSA-N -1 0 327.371 3.562 20 0 EHADRM CSc1cccc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])c1C ZINC000899312644 1040312871 /nfs/dbraw/zinc/31/28/71/1040312871.db2.gz ZPWLGPGOIGRFSD-ZDUSSCGKSA-N -1 0 336.457 3.968 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccccc2)c1Br ZINC000152127281 1040328260 /nfs/dbraw/zinc/32/82/60/1040328260.db2.gz DBHDUIPJKDEDEE-UHFFFAOYSA-N -1 0 326.215 3.558 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(F)cc2OC(F)F)c(F)c1 ZINC000479533060 1040343624 /nfs/dbraw/zinc/34/36/24/1040343624.db2.gz YCBIPFYUXLFARF-UHFFFAOYSA-N -1 0 343.232 3.517 20 0 EHADRM Cc1coc2ccc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3C)cc12 ZINC000479534431 1040344536 /nfs/dbraw/zinc/34/45/36/1040344536.db2.gz WRIXUERCZLRRAV-UHFFFAOYSA-N -1 0 345.376 3.549 20 0 EHADRM O=C(Cc1csc(-c2cccc(F)c2)n1)[N-]OCc1ccccc1 ZINC000031615988 1040386575 /nfs/dbraw/zinc/38/65/75/1040386575.db2.gz VFTLEIOGVFDMEV-UHFFFAOYSA-N -1 0 342.395 3.740 20 0 EHADRM CC(C)(CCCc1ccccc1)C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1 ZINC000908372915 1040417861 /nfs/dbraw/zinc/41/78/61/1040417861.db2.gz NSSGLUCIEGECJM-DLBZAZTESA-N -1 0 331.456 3.795 20 0 EHADRM CC(C)(C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1)c1ccc(Cl)cc1F ZINC000908372500 1040417941 /nfs/dbraw/zinc/41/79/41/1040417941.db2.gz FKWVFJHGJHEBTK-CMPLNLGQSA-N -1 0 341.810 3.516 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1 ZINC000908376383 1040419651 /nfs/dbraw/zinc/41/96/51/1040419651.db2.gz XHOSEGKNIGDSKV-SWLSCSKDSA-N -1 0 337.847 3.668 20 0 EHADRM CCc1cc(C(=O)N=c2[n-]nc(/C=C/c3ccco3)s2)sc1C ZINC000490252005 1040430132 /nfs/dbraw/zinc/43/01/32/1040430132.db2.gz WHXLLWVQGXEDLL-VOTSOKGWSA-N -1 0 345.449 3.908 20 0 EHADRM Cc1coc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C(F)(F)F)cc2)c1 ZINC000908418798 1040441038 /nfs/dbraw/zinc/44/10/38/1040441038.db2.gz JNCSJYZOPGQGSX-LBPRGKRZSA-N -1 0 341.285 3.553 20 0 EHADRM COc1cccc([C@@H](C)CCCC(=O)N[C@@H]2CC[C@H](CC(=O)[O-])C2)c1 ZINC000908387653 1040444231 /nfs/dbraw/zinc/44/42/31/1040444231.db2.gz YDVMZNQUWXHEPB-YQQAZPJKSA-N -1 0 347.455 3.729 20 0 EHADRM O=C(Cc1ccc(O)c(F)c1)Nc1ccccc1N1CCCCC1 ZINC000448566704 1040497049 /nfs/dbraw/zinc/49/70/49/1040497049.db2.gz TZBANYBQFDLGMN-UHFFFAOYSA-N -1 0 328.387 3.703 20 0 EHADRM CN(Cc1nc2ccccc2s1)C(=O)CC1(C(=O)[O-])CCCCC1 ZINC000324898227 1040517434 /nfs/dbraw/zinc/51/74/34/1040517434.db2.gz PICUQEXGDXSTFC-UHFFFAOYSA-N -1 0 346.452 3.680 20 0 EHADRM CC(C)=CC[C@H](NC(=O)Nc1cccc(CC(F)(F)F)c1)C(=O)[O-] ZINC000908625287 1040536602 /nfs/dbraw/zinc/53/66/02/1040536602.db2.gz GPYACFGZGGBDQW-ZDUSSCGKSA-N -1 0 344.333 3.722 20 0 EHADRM O=C(Cc1ccc(C(F)(F)F)cc1)[N-]S(=O)(=O)c1ccccc1 ZINC000042232393 1040562252 /nfs/dbraw/zinc/56/22/52/1040562252.db2.gz IKBJKAKSGWOIFZ-UHFFFAOYSA-N -1 0 343.326 3.593 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)Nc1cnn(C(C)C)c1 ZINC000908661440 1040562701 /nfs/dbraw/zinc/56/27/01/1040562701.db2.gz XUQHZSSNMJWJHS-MRXNPFEDSA-N -1 0 344.415 3.534 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)Cc1cccc(C(F)F)c1)c1cccs1 ZINC000908641658 1040569406 /nfs/dbraw/zinc/56/94/06/1040569406.db2.gz JREXETWYVGKBSC-GFCCVEGCSA-N -1 0 339.363 3.560 20 0 EHADRM CCc1oc(C(=O)NCc2ccc(C(C)(C)C)cc2)cc1C(=O)[O-] ZINC000555426098 1040570424 /nfs/dbraw/zinc/57/04/24/1040570424.db2.gz PUYVRUYVQKKBLE-UHFFFAOYSA-N -1 0 329.396 3.768 20 0 EHADRM O=C([O-])CC1(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)CCCCC1 ZINC000553936530 1040591558 /nfs/dbraw/zinc/59/15/58/1040591558.db2.gz WJYSSPIUGKTWMI-HUUCEWRRSA-N -1 0 349.858 3.985 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)N=c1[n-]nc(CC(C)C)s1)C1CC1 ZINC000490571853 1040600169 /nfs/dbraw/zinc/60/01/69/1040600169.db2.gz VNQQDSNKMXNXBU-INIZCTEOSA-N -1 0 344.484 3.740 20 0 EHADRM Cc1noc(C(C)C)c1C(=O)Nc1cccc(O)c1Br ZINC000908713863 1040607076 /nfs/dbraw/zinc/60/70/76/1040607076.db2.gz DSOLXHZBDZGXTH-UHFFFAOYSA-N -1 0 339.189 3.827 20 0 EHADRM C[C@@H]1CCC[C@H](OCC(=O)Nc2cccc(O)c2Br)C1 ZINC000908713398 1040607581 /nfs/dbraw/zinc/60/75/81/1040607581.db2.gz RUFRAKYCHLSODM-MNOVXSKESA-N -1 0 342.233 3.689 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)Nc1ccc(OCC2CC2)cc1 ZINC000908799676 1040655152 /nfs/dbraw/zinc/65/51/52/1040655152.db2.gz XLGSIXAMEWGIHA-UHFFFAOYSA-N -1 0 339.391 3.745 20 0 EHADRM Cc1c(NC(=O)C[C@@H]2CCc3sccc3C2=O)cccc1C(=O)[O-] ZINC000908842151 1040677803 /nfs/dbraw/zinc/67/78/03/1040677803.db2.gz QIPJTTYXVDBIDP-NSHDSACASA-N -1 0 343.404 3.529 20 0 EHADRM N=c1[n-]nc(SC(Cc2ccccc2)Cc2ccccc2)s1 ZINC000487088591 1040686658 /nfs/dbraw/zinc/68/66/58/1040686658.db2.gz MAQMTEJQVZZYIC-UHFFFAOYSA-N -1 0 327.478 3.897 20 0 EHADRM CC(C)C[C@@H](C(=O)N[C@@H](CC(F)F)C(=O)[O-])c1ccc(Cl)cc1 ZINC000659156789 1040704827 /nfs/dbraw/zinc/70/48/27/1040704827.db2.gz OKZPCHDKNGPFBS-OLZOCXBDSA-N -1 0 347.789 3.694 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)NC(C)(C)CCC(=O)[O-])c1 ZINC000908946801 1040717714 /nfs/dbraw/zinc/71/77/14/1040717714.db2.gz RAKUENQXDXJTMV-CQSZACIVSA-N -1 0 335.444 3.729 20 0 EHADRM COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])c(OC)c1 ZINC000319334928 1040735687 /nfs/dbraw/zinc/73/56/87/1040735687.db2.gz IKRMTQVVGLMZOV-UHFFFAOYSA-N -1 0 342.178 3.969 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1ccc(F)cc1Cl ZINC000555538553 1040785234 /nfs/dbraw/zinc/78/52/34/1040785234.db2.gz WJDSFVSCAFDBAD-UHFFFAOYSA-N -1 0 346.749 3.531 20 0 EHADRM CCc1cccc(NC(=O)N(CC(=O)[O-])[C@@H](C)c2ccccc2)c1 ZINC000569775049 1040823337 /nfs/dbraw/zinc/82/33/37/1040823337.db2.gz AQILEOTXWVKXHQ-AWEZNQCLSA-N -1 0 326.396 3.929 20 0 EHADRM CCc1cccnc1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000909225112 1040882977 /nfs/dbraw/zinc/88/29/77/1040882977.db2.gz ZXSHBZQPWUKONG-UHFFFAOYSA-N -1 0 344.436 3.604 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3F)on2)cc1C ZINC000433152276 1040916132 /nfs/dbraw/zinc/91/61/32/1040916132.db2.gz LDGBXOVGKFLYDZ-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM CC(C)(C)c1coc([N-]S(=O)(=O)CCc2cccc(Cl)c2)n1 ZINC000555633281 1040932608 /nfs/dbraw/zinc/93/26/08/1040932608.db2.gz YZLZIDJHLHSXIO-UHFFFAOYSA-N -1 0 342.848 3.610 20 0 EHADRM COCC(C)(C)CC(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000909692216 1040957466 /nfs/dbraw/zinc/95/74/66/1040957466.db2.gz BKJNPVPHGAGPCG-KRWDZBQOSA-N -1 0 343.423 3.535 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3F)on2)cc1 ZINC000433170563 1040961095 /nfs/dbraw/zinc/96/10/95/1040961095.db2.gz XSXICPMQQUKGRN-UHFFFAOYSA-N -1 0 346.383 3.844 20 0 EHADRM O=C([O-])C12CCC(C(=O)NCc3ccc(C(F)F)cc3)(CC1)CC2 ZINC000909723404 1040967604 /nfs/dbraw/zinc/96/76/04/1040967604.db2.gz HJHIDOKCXOGAKI-UHFFFAOYSA-N -1 0 337.366 3.666 20 0 EHADRM CCOc1cc(F)c(F)cc1Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001211808032 1040970840 /nfs/dbraw/zinc/97/08/40/1040970840.db2.gz YMERSFUXKOGBJP-UHFFFAOYSA-N -1 0 331.322 3.998 20 0 EHADRM O=C(c1nn(-c2cccc(Cl)c2)cc1[O-])N(CC1CC1)C1CCC1 ZINC000614311580 1041009764 /nfs/dbraw/zinc/00/97/64/1041009764.db2.gz RWDZVZQNBJQRSI-UHFFFAOYSA-N -1 0 345.830 3.636 20 0 EHADRM CN(C(=O)c1cccc(C2CCC2)c1)c1ccc(OCC(=O)[O-])cc1 ZINC000909787118 1041010559 /nfs/dbraw/zinc/01/05/59/1041010559.db2.gz YQCNFUSMGDGJGB-UHFFFAOYSA-N -1 0 339.391 3.694 20 0 EHADRM C/C(=C\c1ccccc1)CN(C)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000487637374 1041010909 /nfs/dbraw/zinc/01/09/09/1041010909.db2.gz IQSTUBGHFDQZTE-DTQAZKPQSA-N -1 0 347.418 3.753 20 0 EHADRM O=C([O-])[C@@]1(c2ccccc2)CCN(C(=O)C2(C3CCCCC3)CC2)C1 ZINC000909856255 1041030293 /nfs/dbraw/zinc/03/02/93/1041030293.db2.gz JXGAWQHYKKXGHO-NRFANRHFSA-N -1 0 341.451 3.602 20 0 EHADRM COc1cccc2c1[C@@H](C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1)CC2 ZINC000909834699 1041031666 /nfs/dbraw/zinc/03/16/66/1041031666.db2.gz NIAPVABBXNBIMH-LRDDRELGSA-N -1 0 339.391 3.552 20 0 EHADRM COc1ccc2c(c1)[C@H](C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1)CC2 ZINC000909834658 1041032013 /nfs/dbraw/zinc/03/20/13/1041032013.db2.gz MTUHCBKAVWSYIZ-SJKOYZFVSA-N -1 0 339.391 3.552 20 0 EHADRM Cc1ccc2c(c1)[C@H](NC(=O)C13CCC(C(=O)[O-])(CC1)CC3)CC2 ZINC000909902580 1041059660 /nfs/dbraw/zinc/05/96/60/1041059660.db2.gz YJIXRJXMXPFKKG-PBPGXSGUSA-N -1 0 327.424 3.524 20 0 EHADRM COc1cc(NC(=O)[C@H](CC(=O)[O-])CC(C)C)ccc1OC(C)C ZINC000899779821 1041103521 /nfs/dbraw/zinc/10/35/21/1041103521.db2.gz DFAHXMJFUOTEBX-ZDUSSCGKSA-N -1 0 337.416 3.558 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])C[C@H]1C(=O)Nc1ccccc1CCC(F)(F)F ZINC000899773740 1041109599 /nfs/dbraw/zinc/10/95/99/1041109599.db2.gz NHQJARGJAJPCOD-BLLLJJGKSA-N -1 0 343.345 3.867 20 0 EHADRM Cc1coc(-c2ccc(C)c(NC(=O)[C@@H]3C[C@@]3(C(=O)[O-])C(C)C)c2)n1 ZINC000899774391 1041110805 /nfs/dbraw/zinc/11/08/05/1041110805.db2.gz RHPGMMNLBDMFNV-IFXJQAMLSA-N -1 0 342.395 3.644 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1ccc2c(cnn2C(F)F)c1 ZINC000899775183 1041112115 /nfs/dbraw/zinc/11/21/15/1041112115.db2.gz JYHPTPJEECIMDU-SNVBAGLBSA-N -1 0 339.342 3.507 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000899775382 1041112686 /nfs/dbraw/zinc/11/26/86/1041112686.db2.gz YIDIAWWCDFOBCF-DOTOQJQBSA-N -1 0 346.471 3.601 20 0 EHADRM CCc1cc(C)c(C(=O)N=c2[n-]nc(Cc3ccc(C)cc3)s2)o1 ZINC000487790371 1041119163 /nfs/dbraw/zinc/11/91/63/1041119163.db2.gz ZHZUMOQPIRXRNQ-UHFFFAOYSA-N -1 0 341.436 3.575 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)[C@@H]3C[C@@]3(C(=O)[O-])C(C)C)cc2)oc1C ZINC000899802896 1041140779 /nfs/dbraw/zinc/14/07/79/1041140779.db2.gz KFDOBRDKQCDDMC-HNAYVOBHSA-N -1 0 342.395 3.644 20 0 EHADRM CC1(C(=O)N2CCC([C@H](CC(=O)[O-])c3ccccc3)CC2)CC=CC1 ZINC000910031116 1041145088 /nfs/dbraw/zinc/14/50/88/1041145088.db2.gz BUAKQNLHMIJHIT-GOSISDBHSA-N -1 0 341.451 3.840 20 0 EHADRM CCCc1[nH]ccc1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000910041429 1041161808 /nfs/dbraw/zinc/16/18/08/1041161808.db2.gz BUDJWVNVMJCXHF-UHFFFAOYSA-N -1 0 338.310 3.519 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)N(C)[C@@H](C)c1nc2ccccc2s1 ZINC000899817978 1041174219 /nfs/dbraw/zinc/17/42/19/1041174219.db2.gz MXIZHEZNYBFFKQ-STQMWFEESA-N -1 0 348.468 3.953 20 0 EHADRM CC(C)(C)SCCCC(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000910067067 1041174284 /nfs/dbraw/zinc/17/42/84/1041174284.db2.gz WKOFHFJVTRGOFX-UHFFFAOYSA-N -1 0 335.469 3.581 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N[C@H]2CSc3ccccc32)C(=O)[O-])cc1 ZINC000899819798 1041176397 /nfs/dbraw/zinc/17/63/97/1041176397.db2.gz QHJCIBDZGWJNSL-CVEARBPZSA-N -1 0 341.432 3.517 20 0 EHADRM Cc1cc(F)ccc1[C@H](C)NC(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000899834853 1041181492 /nfs/dbraw/zinc/18/14/92/1041181492.db2.gz BFLDCBPDPNPPCL-SUMWQHHRSA-N -1 0 329.371 3.570 20 0 EHADRM CC(C)(C)c1cnc([N-]S(=O)(=O)c2cccc3ccoc32)s1 ZINC000569918187 1041181840 /nfs/dbraw/zinc/18/18/40/1041181840.db2.gz NXSVDMDFRKDXSF-UHFFFAOYSA-N -1 0 336.438 3.988 20 0 EHADRM CC[C@H]1CC[C@H](C(=O)N2CCC[C@H]2c2nc(C(=O)[O-])cs2)CC1 ZINC000910107035 1041192333 /nfs/dbraw/zinc/19/23/33/1041192333.db2.gz LTGLVKUGYXLHEP-OBJOEFQTSA-N -1 0 336.457 3.721 20 0 EHADRM CC1(C)CCCC[C@H]1C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])cs1 ZINC000910108024 1041192458 /nfs/dbraw/zinc/19/24/58/1041192458.db2.gz FCCQSQVBZZCHTD-AAEUAGOBSA-N -1 0 336.457 3.721 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000571178413 1041194144 /nfs/dbraw/zinc/19/41/44/1041194144.db2.gz COMSKLXUVZRLIR-PIGZYNQJSA-N -1 0 349.477 3.785 20 0 EHADRM CCC[C@]1(C(=O)[O-])CCCN1C(=O)c1nc(-c2cccs2)oc1C ZINC000910117433 1041201755 /nfs/dbraw/zinc/20/17/55/1041201755.db2.gz IKSCVNNEAFOWEQ-QGZVFWFLSA-N -1 0 348.424 3.571 20 0 EHADRM CCC[C@@]1(C(=O)[O-])CCCN1C(=O)c1nc(-c2cccs2)oc1C ZINC000910117432 1041203044 /nfs/dbraw/zinc/20/30/44/1041203044.db2.gz IKSCVNNEAFOWEQ-KRWDZBQOSA-N -1 0 348.424 3.571 20 0 EHADRM CCCc1nc(=NC(=O)[C@@H](C)c2ccc3ccccc3c2)s[n-]1 ZINC000466942611 1041218409 /nfs/dbraw/zinc/21/84/09/1041218409.db2.gz KPROEWBZCCPFPF-LBPRGKRZSA-N -1 0 325.437 3.808 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)NC1C[C@H]2CC[C@@H](C1)S2)C1CCCCC1 ZINC000899850047 1041222929 /nfs/dbraw/zinc/22/29/29/1041222929.db2.gz CCSMDEBXJKCXMW-MUSFGAPCSA-N -1 0 339.501 3.591 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2ncc(C(F)(F)F)s2)s1 ZINC000296135006 1041299739 /nfs/dbraw/zinc/29/97/39/1041299739.db2.gz ZFSQBZZOBYQPGF-UHFFFAOYSA-N -1 0 342.389 3.641 20 0 EHADRM O=C([O-])C1CCC(CC(=O)NCC2(c3ccccc3F)CCC2)CC1 ZINC000652080868 1041336712 /nfs/dbraw/zinc/33/67/12/1041336712.db2.gz XBRGAAQMIVBFGM-UHFFFAOYSA-N -1 0 347.430 3.645 20 0 EHADRM Cc1ccncc1CSc1n[n-]c(=NCCc2cccs2)s1 ZINC000433396051 1041387638 /nfs/dbraw/zinc/38/76/38/1041387638.db2.gz CMJDUKYIGURZHC-UHFFFAOYSA-N -1 0 348.522 3.672 20 0 EHADRM CCc1cccc(Cl)c1CN=c1[n-]nc(CC(F)(F)F)s1 ZINC000473490918 1041399215 /nfs/dbraw/zinc/39/92/15/1041399215.db2.gz UCELANYPZUJQNR-UHFFFAOYSA-N -1 0 335.782 3.893 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N[C@@H]1C[C@H]1CC(C)(C)C)C(=O)[O-] ZINC000652083896 1041413756 /nfs/dbraw/zinc/41/37/56/1041413756.db2.gz QHNHYFUWJJDWBR-MBNYWOFBSA-N -1 0 335.469 3.806 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000647690677 1041443286 /nfs/dbraw/zinc/44/32/86/1041443286.db2.gz ZYIJACBFPNGVIA-NWDGAFQWSA-N -1 0 338.835 3.840 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)c1cccc2ncccc21)C(=O)[O-] ZINC000236702620 1041464433 /nfs/dbraw/zinc/46/44/33/1041464433.db2.gz KCEXYLKKGWXBFR-LJQANCHMSA-N -1 0 328.412 3.778 20 0 EHADRM O=C([O-])c1cncc(Nc2cc(Br)cc(Cl)c2O)c1 ZINC001175846453 1132774177 /nfs/dbraw/zinc/77/41/77/1132774177.db2.gz DPFFPYGGIBPVFU-UHFFFAOYSA-N -1 0 343.564 3.645 20 0 EHADRM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000511737208 1041493080 /nfs/dbraw/zinc/49/30/80/1041493080.db2.gz ZQPIGWXCUOMKEB-NSHDSACASA-N -1 0 341.379 3.943 20 0 EHADRM Nc1cc(F)c(Br)cc1Nc1csc(C(=O)[O-])c1 ZINC001176438816 1132928601 /nfs/dbraw/zinc/92/86/01/1132928601.db2.gz DOLVJANRPASXLZ-UHFFFAOYSA-N -1 0 331.166 3.674 20 0 EHADRM C[C@@H](C(=O)NC[C@@H](CC1CC1)C(=O)[O-])c1c(Cl)cccc1Cl ZINC000652099381 1041604186 /nfs/dbraw/zinc/60/41/86/1041604186.db2.gz ZOURMHUXEKJWKU-MWLCHTKSSA-N -1 0 344.238 3.714 20 0 EHADRM Cc1ccc(OCCCC(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])cc1C ZINC000432112763 1041608556 /nfs/dbraw/zinc/60/85/56/1041608556.db2.gz DBBSGISBALRDCK-YLJYHZDGSA-N -1 0 347.455 3.612 20 0 EHADRM FC(F)(F)[C@H](CCN=c1nc(C2CC2)[n-]s1)c1ccccc1 ZINC000432172850 1041691270 /nfs/dbraw/zinc/69/12/70/1041691270.db2.gz BEMQLPGFPJVIPD-GFCCVEGCSA-N -1 0 327.375 3.986 20 0 EHADRM COC(=O)c1cc(F)c(Nc2ccc(C(=O)[O-])c(C)c2)c(C)c1F ZINC001211661029 1041711307 /nfs/dbraw/zinc/71/13/07/1041711307.db2.gz YWFRYCUVIKRFKN-UHFFFAOYSA-N -1 0 335.306 3.810 20 0 EHADRM CCOCc1ccccc1CNC(=O)CC1(CC(=O)[O-])CCCCC1 ZINC000027056471 1041826596 /nfs/dbraw/zinc/82/65/96/1041826596.db2.gz YOICJXQZUOKGGW-UHFFFAOYSA-N -1 0 347.455 3.655 20 0 EHADRM CC(C)(C)/C=C/C(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000236735076 1042180063 /nfs/dbraw/zinc/18/00/63/1042180063.db2.gz NWBNTUPOANYGSU-CMDGGOBGSA-N -1 0 343.345 3.721 20 0 EHADRM Cc1ccc(OCCN(C)C(=O)c2cc(F)c([O-])c(Cl)c2)cc1 ZINC000184204654 1042271050 /nfs/dbraw/zinc/27/10/50/1042271050.db2.gz UGWCBCTUQHNDPC-UHFFFAOYSA-N -1 0 337.778 3.644 20 0 EHADRM O=C([O-])C1(C(=O)N[C@@H]2CCSc3ccccc32)CCCCCC1 ZINC000663084956 1042432860 /nfs/dbraw/zinc/43/28/60/1042432860.db2.gz NEHCGGOKEWWYRR-CQSZACIVSA-N -1 0 333.453 3.765 20 0 EHADRM CC1(C)CCC[C@@H](CC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)C1 ZINC000663133507 1042481020 /nfs/dbraw/zinc/48/10/20/1042481020.db2.gz COQUGRYGCGHWEP-YOEHRIQHSA-N -1 0 329.440 3.804 20 0 EHADRM CC(C)[C@H](C(=O)NC[C@H](C(=O)[O-])C1CCC1)c1cccc(Cl)c1 ZINC000663147778 1042492502 /nfs/dbraw/zinc/49/25/02/1042492502.db2.gz OJBOMDNJQRGQCB-HOTGVXAUSA-N -1 0 337.847 3.697 20 0 EHADRM O=C([O-])[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21)C1CCC1 ZINC000663150530 1042494061 /nfs/dbraw/zinc/49/40/61/1042494061.db2.gz KDNLNCCECKCLLL-GUDVDZBRSA-N -1 0 337.419 3.560 20 0 EHADRM O=C([O-])[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)C1CCC1 ZINC000663147249 1042494282 /nfs/dbraw/zinc/49/42/82/1042494282.db2.gz ARINHRHMGVPHDI-IPMKNSEASA-N -1 0 337.419 3.560 20 0 EHADRM C[C@H](CC(=O)NC[C@H](C(=O)[O-])C1CCC1)Cc1ccc(Cl)cc1 ZINC000663154007 1042497011 /nfs/dbraw/zinc/49/70/11/1042497011.db2.gz VGOMEEANRSMQCR-LRDDRELGSA-N -1 0 337.847 3.526 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)CCc1ccc(Cl)cc1Cl)C1CCC1 ZINC000663150250 1042497571 /nfs/dbraw/zinc/49/75/71/1042497571.db2.gz OVBDMBGTGAXMTP-ZDUSSCGKSA-N -1 0 344.238 3.543 20 0 EHADRM O=C([O-])[C@H](CNC(=O)CCc1ccc(Cl)cc1Cl)C1CCC1 ZINC000663150248 1042497797 /nfs/dbraw/zinc/49/77/97/1042497797.db2.gz OVBDMBGTGAXMTP-CYBMUJFWSA-N -1 0 344.238 3.543 20 0 EHADRM COc1cc(Cl)ccc1CNC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184387753 1042499006 /nfs/dbraw/zinc/49/90/06/1042499006.db2.gz ZPUNGWRLPFTJEH-UHFFFAOYSA-N -1 0 344.169 3.777 20 0 EHADRM O=C(NCc1coc(-c2ccccc2)n1)c1cc(F)c([O-])c(Cl)c1 ZINC000184441549 1042545671 /nfs/dbraw/zinc/54/56/71/1042545671.db2.gz BAMOIHCPUKMMDP-UHFFFAOYSA-N -1 0 346.745 3.770 20 0 EHADRM CCCCCCC(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000120322538 1042570404 /nfs/dbraw/zinc/57/04/04/1042570404.db2.gz SVCMSLFCCDMXRZ-UHFFFAOYSA-N -1 0 344.285 3.830 20 0 EHADRM COc1cc(NC(=O)c2cc(F)c([O-])c(F)c2)ccc1OC(C)C ZINC000185828513 1042642824 /nfs/dbraw/zinc/64/28/24/1042642824.db2.gz CIBSYHOOQGDYBH-UHFFFAOYSA-N -1 0 337.322 3.719 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2C(=O)[C@@H](C)S[C@H](C)C(=O)[O-])cc1 ZINC000601994106 1042654769 /nfs/dbraw/zinc/65/47/69/1042654769.db2.gz LMJHMADZJRFCCQ-FMKPAKJESA-N -1 0 335.469 3.643 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])CC2 ZINC000602014044 1042655283 /nfs/dbraw/zinc/65/52/83/1042655283.db2.gz WVSLJRWDIMMXCI-MKBNYLNASA-N -1 0 335.469 3.508 20 0 EHADRM CC(C)C[C@@H](CO)N(C)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000186644337 1042680426 /nfs/dbraw/zinc/68/04/26/1042680426.db2.gz CTUQRWMHXKUJBU-LBPRGKRZSA-N -1 0 335.831 3.678 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[N@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000062877059 1042682331 /nfs/dbraw/zinc/68/23/31/1042682331.db2.gz IKPPXCDQTATNDZ-OAHLLOKOSA-N -1 0 332.227 3.559 20 0 EHADRM CCOc1ccc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)cc1F ZINC000055151289 1042695726 /nfs/dbraw/zinc/69/57/26/1042695726.db2.gz AQXGZBMAZXNTAG-IBGZPJMESA-N -1 0 345.370 3.596 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2ccc3oc4ccccc4c3c2)CCC1 ZINC000663339410 1042722234 /nfs/dbraw/zinc/72/22/34/1042722234.db2.gz NCCYTSNQHVMBIV-UHFFFAOYSA-N -1 0 338.363 3.962 20 0 EHADRM CC(C)c1nc2cc(NC(=O)NC[C@H](C(=O)[O-])C3CCC3)ccc2o1 ZINC000663345323 1042731472 /nfs/dbraw/zinc/73/14/72/1042731472.db2.gz IJHKUCBYXLCOOM-ZDUSSCGKSA-N -1 0 345.399 3.574 20 0 EHADRM Cc1cccc(C2=CCN(C(=O)c3cc(F)c([O-])c(F)c3)CC2)c1 ZINC000186984385 1042736624 /nfs/dbraw/zinc/73/66/24/1042736624.db2.gz BEVZFCZYYDRGDF-UHFFFAOYSA-N -1 0 329.346 3.908 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cc1C(F)(F)F)c1ccsc1 ZINC000350125701 1042827393 /nfs/dbraw/zinc/82/73/93/1042827393.db2.gz GVMCIERZZYRISY-UHFFFAOYSA-N -1 0 325.308 3.707 20 0 EHADRM Cc1ccccc1[N-]S(=O)(=O)c1sccc1Br ZINC000042350434 1042881166 /nfs/dbraw/zinc/88/11/66/1042881166.db2.gz LBKHIDFDRQSSOH-UHFFFAOYSA-N -1 0 332.244 3.620 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1cccc(SC(F)F)c1 ZINC000066966072 1042895002 /nfs/dbraw/zinc/89/50/02/1042895002.db2.gz ZDHCPKFLYYMXDF-VXGBXAGGSA-N -1 0 327.352 3.607 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cnccc2-c2ccccc2)ccc1F ZINC000432348389 1042983344 /nfs/dbraw/zinc/98/33/44/1042983344.db2.gz SWSHSNQQWFSZMA-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000315475814 1042999313 /nfs/dbraw/zinc/99/93/13/1042999313.db2.gz ZDLLZDAMTUXSPY-JTQLQIEISA-N -1 0 344.238 3.985 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@H](c2ccco2)c2ccccc2)CCCCC1 ZINC000054500344 1043000203 /nfs/dbraw/zinc/00/02/03/1043000203.db2.gz DXOCSMGCTSULGN-SFHVURJKSA-N -1 0 341.407 3.910 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000315744828 1043004306 /nfs/dbraw/zinc/00/43/06/1043004306.db2.gz MLIFYCNOIJCJIZ-UHFFFAOYSA-N -1 0 338.713 3.687 20 0 EHADRM COc1c(Cl)cc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1Cl ZINC000585810463 1043087053 /nfs/dbraw/zinc/08/70/53/1043087053.db2.gz SWMVXGTUQJFDED-NXEZZACHSA-N -1 0 344.194 3.608 20 0 EHADRM FC(F)(F)Cc1n[n-]c(=NCc2ccc(C(F)(F)F)s2)s1 ZINC000432418273 1043133776 /nfs/dbraw/zinc/13/37/76/1043133776.db2.gz QOLXWUUIHQMSSI-UHFFFAOYSA-N -1 0 347.309 3.757 20 0 EHADRM Cc1ccc(NC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cc1Cl ZINC000325015778 1043340390 /nfs/dbraw/zinc/34/03/90/1043340390.db2.gz DCJIYSARNBHFTH-INIZCTEOSA-N -1 0 344.798 3.692 20 0 EHADRM O=C([N-][C@@H](c1cccs1)c1ccc(F)cc1)C(F)(F)C(F)F ZINC000318446986 1043382392 /nfs/dbraw/zinc/38/23/92/1043382392.db2.gz TYNUNJBWXFRFDT-LLVKDONJSA-N -1 0 335.297 3.993 20 0 EHADRM CCC[C@H](C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC000653335528 1043740175 /nfs/dbraw/zinc/74/01/75/1043740175.db2.gz RBBXMHBSZNPRCI-KFKAGJAMSA-N -1 0 337.419 4.000 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccccc2C(C)C)cnn1CC(C)C ZINC000344466034 1044041343 /nfs/dbraw/zinc/04/13/43/1044041343.db2.gz AAIBSRVPUDZXKX-UHFFFAOYSA-N -1 0 335.473 3.772 20 0 EHADRM Cc1nc(-c2ccccc2)c([N-]S(=O)(=O)c2ccc(C)nc2)s1 ZINC000337778497 1044436426 /nfs/dbraw/zinc/43/64/26/1044436426.db2.gz RJMIANKJMBGKQK-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM CSc1cccc(S(=O)(=O)[N-]c2c[nH]nc2-c2ccccc2)c1 ZINC000337779998 1044445634 /nfs/dbraw/zinc/44/56/34/1044445634.db2.gz SKSKYFGTHQGHTP-UHFFFAOYSA-N -1 0 345.449 3.599 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000261601388 1044512583 /nfs/dbraw/zinc/51/25/83/1044512583.db2.gz BHZCHVKJNCBGLE-GLQYFDAESA-N -1 0 345.370 3.738 20 0 EHADRM CCC[C@@H](CC(C)C)C(=O)Nc1nccc(Br)c1[O-] ZINC001150032320 1137556431 /nfs/dbraw/zinc/55/64/31/1137556431.db2.gz PYTPRNWJPMVOPP-JTQLQIEISA-N -1 0 329.238 3.951 20 0 EHADRM O=C([O-])c1cccnc1NCCc1nc2cc(Cl)ccc2s1 ZINC000671089226 1125787641 /nfs/dbraw/zinc/78/76/41/1125787641.db2.gz GWTPVQZALPFIFR-UHFFFAOYSA-N -1 0 333.800 3.698 20 0 EHADRM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1cnc2n1CCC2 ZINC000622481270 1126705961 /nfs/dbraw/zinc/70/59/61/1126705961.db2.gz MMHKFKBPGGNMDM-UHFFFAOYSA-N -1 0 346.601 3.747 20 0 EHADRM CC(C)(CNC(=O)c1cccc(C(F)(F)F)c1[O-])C(F)(F)F ZINC000622583956 1126724283 /nfs/dbraw/zinc/72/42/83/1126724283.db2.gz LLHGXLATUPPVHD-UHFFFAOYSA-N -1 0 329.240 3.729 20 0 EHADRM COCc1cccc(S(=O)(=O)[N-]c2ccccc2OC(C)(C)C)c1 ZINC000172184930 1126783432 /nfs/dbraw/zinc/78/34/32/1126783432.db2.gz NFPDELGZAKZYNF-UHFFFAOYSA-N -1 0 349.452 3.811 20 0 EHADRM C[C@](CC(=O)Nc1ccc2ncsc2c1)(C(=O)[O-])c1ccccc1 ZINC000336878563 1126814025 /nfs/dbraw/zinc/81/40/25/1126814025.db2.gz GKNSOWDUVMHLSV-GOSISDBHSA-N -1 0 340.404 3.667 20 0 EHADRM C[C@H](C(=O)N=c1ccc(-c2ccc(Cl)s2)n[n-]1)C(C)(F)F ZINC000622929254 1126830841 /nfs/dbraw/zinc/83/08/41/1126830841.db2.gz JFAGUKMBPXZNSY-SSDOTTSWSA-N -1 0 331.775 3.510 20 0 EHADRM O=C(Nc1cc(Cl)cc(Br)c1[O-])[C@@H]1C[C@@H]1C1CC1 ZINC000176253923 1126908195 /nfs/dbraw/zinc/90/81/95/1126908195.db2.gz YLUSAMVIOYSIEC-RKDXNWHRSA-N -1 0 330.609 3.793 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC[C@@H]1c1ccccn1 ZINC000073045927 1126989720 /nfs/dbraw/zinc/98/97/20/1126989720.db2.gz NLJVDOAPCORBDN-CQSZACIVSA-N -1 0 325.393 3.863 20 0 EHADRM O=S(=O)([N-]c1nccc2sccc21)c1ccc2c(c1)CCC2 ZINC000182019883 1127308506 /nfs/dbraw/zinc/30/85/06/1127308506.db2.gz MJYVBJDMCIAJLH-UHFFFAOYSA-N -1 0 330.434 3.586 20 0 EHADRM CN(C(=O)c1nn(-c2ccccc2)cc1[O-])c1ccc(F)c(Cl)c1 ZINC000182140869 1127313987 /nfs/dbraw/zinc/31/39/87/1127313987.db2.gz KEHWAAKKXWGGMG-UHFFFAOYSA-N -1 0 345.761 3.647 20 0 EHADRM CC[C@H](C)CS(=O)(=O)[N-][C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000182874819 1127351622 /nfs/dbraw/zinc/35/16/22/1127351622.db2.gz GBEVDWFNDITCDA-UFBFGSQYSA-N -1 0 345.333 3.534 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2C(F)(F)F)c(C)o1 ZINC000183126805 1127364363 /nfs/dbraw/zinc/36/43/63/1127364363.db2.gz VFCYGZUCNKRDMQ-UHFFFAOYSA-N -1 0 337.294 3.855 20 0 EHADRM CC(C)(C)C[C@H]([N-]S(=O)(=O)Cc1ccccc1F)C(F)(F)F ZINC000183298429 1127371720 /nfs/dbraw/zinc/37/17/20/1127371720.db2.gz BANYXAIBOCFMTJ-LBPRGKRZSA-N -1 0 341.370 3.612 20 0 EHADRM O=C(Nc1cccc2ccc(O)cc21)c1cc(F)c(F)c([O-])c1F ZINC000183397482 1127375819 /nfs/dbraw/zinc/37/58/19/1127375819.db2.gz SJYVPYCQEYOKAO-UHFFFAOYSA-N -1 0 333.265 3.921 20 0 EHADRM C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](CC1CCC1)c1ccccc1 ZINC000184831562 1127413805 /nfs/dbraw/zinc/41/38/05/1127413805.db2.gz FHPMWVBQNVQKAI-FZMZJTMJSA-N -1 0 335.391 3.788 20 0 EHADRM COc1nc2ccccc2cc1/C=C/c1ncc(/C=C/C(=O)[O-])s1 ZINC000764107141 1127445933 /nfs/dbraw/zinc/44/59/33/1127445933.db2.gz IMMLKEMZONXGJO-CDJQDVQCSA-N -1 0 338.388 3.968 20 0 EHADRM O=C(Nc1nnc(/C=C/c2ccco2)s1)c1c([O-])cccc1Cl ZINC000765419746 1127611064 /nfs/dbraw/zinc/61/10/64/1127611064.db2.gz DBRLQHREYGEUJN-VOTSOKGWSA-N -1 0 347.783 3.913 20 0 EHADRM CSc1cc(C)ccc1CNC(=O)c1cc(F)c(F)c([O-])c1F ZINC000542652085 1127644366 /nfs/dbraw/zinc/64/43/66/1127644366.db2.gz VSWULGBPKVXSAC-UHFFFAOYSA-N -1 0 341.354 3.770 20 0 EHADRM Cc1ccc(S[C@H](C)C(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000347493688 1127736754 /nfs/dbraw/zinc/73/67/54/1127736754.db2.gz HXVMHAKZTWAUQP-CABCVRRESA-N -1 0 335.469 3.722 20 0 EHADRM C[C@H]1CN(C(=O)CCCc2ccc(C(C)(C)C)cc2)CC[C@@H]1C(=O)[O-] ZINC000449002111 1127753983 /nfs/dbraw/zinc/75/39/83/1127753983.db2.gz LZGUUHZZFVASQD-YJBOKZPZSA-N -1 0 345.483 3.876 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2csc(-c3ccccc3)n2)s1 ZINC000671663236 1127773622 /nfs/dbraw/zinc/77/36/22/1127773622.db2.gz JDAZHSZQYMQARM-UHFFFAOYSA-N -1 0 336.463 3.981 20 0 EHADRM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000671688338 1127904063 /nfs/dbraw/zinc/90/40/63/1127904063.db2.gz MHJXLUYIIQABGI-VBNZEHGJSA-N -1 0 341.411 3.575 20 0 EHADRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc(C(F)F)cc1 ZINC000338619369 1127914059 /nfs/dbraw/zinc/91/40/59/1127914059.db2.gz CGZOJLYIZFHRFX-UHFFFAOYSA-N -1 0 349.362 3.607 20 0 EHADRM S=c1[n-]c2ccc(Nc3cccnc3N3CCOCC3)cc2s1 ZINC001212362968 1128009456 /nfs/dbraw/zinc/00/94/56/1128009456.db2.gz XPPVRMFJQKMBPQ-UHFFFAOYSA-N -1 0 344.465 3.560 20 0 EHADRM O=C([O-])[C@]1(C(F)(F)F)CCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000111242005 1128343800 /nfs/dbraw/zinc/34/38/00/1128343800.db2.gz YZHQTJUGRZZTKY-LBPRGKRZSA-N -1 0 342.144 3.832 20 0 EHADRM CC(C)Cc1ccccc1CN=c1nc(C2CCOCC2)[n-]s1 ZINC000624429014 1128359681 /nfs/dbraw/zinc/35/96/81/1128359681.db2.gz URBVFEKUHVYJDR-UHFFFAOYSA-N -1 0 331.485 3.665 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1Cl)N1CCSC[C@@H]1CC(=O)[O-] ZINC000091133778 1128456319 /nfs/dbraw/zinc/45/63/19/1128456319.db2.gz ABOLKOAWOIYOGD-ONGXEEELSA-N -1 0 334.268 3.947 20 0 EHADRM Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000106724578 1128509231 /nfs/dbraw/zinc/50/92/31/1128509231.db2.gz RCGPEKWMOKMLGU-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)s1 ZINC000055638128 1128525768 /nfs/dbraw/zinc/52/57/68/1128525768.db2.gz MQBOBTJARGOZBK-UHFFFAOYSA-N -1 0 337.344 3.598 20 0 EHADRM O=C(N=c1ncn(C2CCCCC2)[n-]1)N1CCCC2(CCCCC2)C1 ZINC000542722115 1128561144 /nfs/dbraw/zinc/56/11/44/1128561144.db2.gz QBHHDZMYKCKXIR-UHFFFAOYSA-N -1 0 345.491 3.783 20 0 EHADRM O=C([O-])c1coc(C(=O)NCC2(c3cccc(F)c3)CCCCC2)c1 ZINC000542766334 1128591648 /nfs/dbraw/zinc/59/16/48/1128591648.db2.gz OOTSEGJSJITHIZ-UHFFFAOYSA-N -1 0 345.370 3.749 20 0 EHADRM FC(F)(F)Cc1ccccc1CN=c1[n-]nc(C(F)(F)F)s1 ZINC000624754007 1128644459 /nfs/dbraw/zinc/64/44/59/1128644459.db2.gz OMGORORNAKKIGT-UHFFFAOYSA-N -1 0 341.280 3.696 20 0 EHADRM C[C@H]([NH2+]Cc1coc(-c2ccccc2)n1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656097613 1128737112 /nfs/dbraw/zinc/73/71/12/1128737112.db2.gz ALKCUPNOTASODO-VBNZEHGJSA-N -1 0 328.412 3.567 20 0 EHADRM Clc1cc2c(s1)CC[C@H]2N=c1[n-]nc(C2CCOCC2)s1 ZINC000338727129 1128770536 /nfs/dbraw/zinc/77/05/36/1128770536.db2.gz WUCWVMSNZHKLRG-SNVBAGLBSA-N -1 0 341.889 3.668 20 0 EHADRM CCOc1cc2c(cc1NC(=O)c1c([O-])cc(F)cc1F)O[C@H](C)C2 ZINC000620966022 1128835499 /nfs/dbraw/zinc/83/54/99/1128835499.db2.gz BWNZQEVFDIJAKA-SECBINFHSA-N -1 0 349.333 3.645 20 0 EHADRM O=C(c1c([O-])cc(F)cc1F)N1CC[C@H](CSc2ccccc2)C1 ZINC000075199866 1128849690 /nfs/dbraw/zinc/84/96/90/1128849690.db2.gz OXTYTXPASVYSIJ-LBPRGKRZSA-N -1 0 349.402 3.925 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cc(C3CCC3)nn2C)c1 ZINC000128790639 1120034194 /nfs/dbraw/zinc/03/41/94/1120034194.db2.gz OUPVEPAXDYITSI-UHFFFAOYSA-N -1 0 333.457 3.612 20 0 EHADRM O=C(Nc1ccccc1)Nc1cc(Br)cc(F)c1[O-] ZINC000144490116 1120041468 /nfs/dbraw/zinc/04/14/68/1120041468.db2.gz IFVXIIXBOARXBC-UHFFFAOYSA-N -1 0 325.137 3.938 20 0 EHADRM CCc1ccc(C)nc1NC(=O)c1cccc(Br)c1[O-] ZINC001648913288 1120134329 /nfs/dbraw/zinc/13/43/29/1120134329.db2.gz QXPROHUUKILLIG-UHFFFAOYSA-N -1 0 335.201 3.673 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000262155431 1120175023 /nfs/dbraw/zinc/17/50/23/1120175023.db2.gz UNAUBFGVWCJPGM-MNOVXSKESA-N -1 0 341.810 3.732 20 0 EHADRM CO[C@@H](CNC(=O)c1c([O-])cc(Cl)cc1Cl)C1CCCC1 ZINC001648935743 1120238654 /nfs/dbraw/zinc/23/86/54/1120238654.db2.gz CTAHCMQYWNAKMM-ZDUSSCGKSA-N -1 0 332.227 3.634 20 0 EHADRM CC[C@@](CNC(=O)c1c(C)cc(C)cc1C)(C(=O)[O-])c1ccccc1 ZINC000263006746 1120313148 /nfs/dbraw/zinc/31/31/48/1120313148.db2.gz NGLDDMXQBMXWAM-NRFANRHFSA-N -1 0 339.435 3.774 20 0 EHADRM C[C@@H](CN(C)C(=O)Nc1ccc(SC(C)(C)C)c(F)c1)C(=O)[O-] ZINC000263024689 1120313401 /nfs/dbraw/zinc/31/34/01/1120313401.db2.gz AJYWSDCVBLOGRX-JTQLQIEISA-N -1 0 342.436 3.901 20 0 EHADRM CC[C@H](NCc1cc2ccccc2cc1OC)c1nc(C(=O)[O-])c[nH]1 ZINC000904064788 1120351613 /nfs/dbraw/zinc/35/16/13/1120351613.db2.gz MRJYBAPYOQIBDE-HNNXBMFYSA-N -1 0 339.395 3.511 20 0 EHADRM CSc1cccc(C)c1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000185337012 1120409115 /nfs/dbraw/zinc/40/91/15/1120409115.db2.gz KQXGRMRVAHHSGB-UHFFFAOYSA-N -1 0 347.383 3.935 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CCCCC1 ZINC000013252173 1128919537 /nfs/dbraw/zinc/91/95/37/1128919537.db2.gz WRRBWHRTTVCWGY-UHFFFAOYSA-N -1 0 345.317 3.949 20 0 EHADRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cnc(Cl)cc1C ZINC000152993462 1120525101 /nfs/dbraw/zinc/52/51/01/1120525101.db2.gz TYFIGUJRSVNKAD-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(C)c(C)c2)cnn1-c1ccccc1 ZINC000152584350 1120544635 /nfs/dbraw/zinc/54/46/35/1120544635.db2.gz ADDQKMFNEUNOOS-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccccc2Cl)c2cccnc12 ZINC000193125970 1120759667 /nfs/dbraw/zinc/75/96/67/1120759667.db2.gz BTAZRRNZPGMZHT-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM C[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1ccc(F)c(F)c1 ZINC000193913481 1120807897 /nfs/dbraw/zinc/80/78/97/1120807897.db2.gz PUPUKJDVIWLTRD-ZCFIWIBFSA-N -1 0 331.240 3.579 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1cc(F)c(F)c([O-])c1F)c1ccccc1 ZINC000193927378 1120809280 /nfs/dbraw/zinc/80/92/80/1120809280.db2.gz XFBZOBZATTWFEX-CYBMUJFWSA-N -1 0 337.341 3.979 20 0 EHADRM CCN(C(=O)c1ncc(C)cc1[O-])c1cccc(Br)c1 ZINC000495021292 1120933565 /nfs/dbraw/zinc/93/35/65/1120933565.db2.gz VBBNTJMMKFEWDV-UHFFFAOYSA-N -1 0 335.201 3.525 20 0 EHADRM CC(C)(C)c1nnc([N-]c2cc(F)cc(C(=O)N3CCCCC3)c2)o1 ZINC001212201695 1121001321 /nfs/dbraw/zinc/00/13/21/1121001321.db2.gz KOUOULKTHMZRBW-UHFFFAOYSA-N -1 0 346.406 3.876 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000761954276 1121015892 /nfs/dbraw/zinc/01/58/92/1121015892.db2.gz LIUSDLYLMMMYJL-CQSZACIVSA-N -1 0 348.402 3.885 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)/C=C/c2ccccc2F)cc1)C(=O)[O-] ZINC000762173299 1121144983 /nfs/dbraw/zinc/14/49/83/1121144983.db2.gz WPLBBDJZMMNCEJ-YKWSONSWSA-N -1 0 327.355 3.741 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2-c2noc(C)n2)c(C)s1 ZINC000915356398 1121361351 /nfs/dbraw/zinc/36/13/51/1121361351.db2.gz OKSHXDSLJYTMNH-UHFFFAOYSA-N -1 0 349.437 3.524 20 0 EHADRM CC(C)COc1cccc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000236693306 1121460334 /nfs/dbraw/zinc/46/03/34/1121460334.db2.gz BENGLKTZKKHTLX-UHFFFAOYSA-N -1 0 341.407 3.692 20 0 EHADRM CCCCc1ccc(CC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000236894280 1121467656 /nfs/dbraw/zinc/46/76/56/1121467656.db2.gz BTJMVJFCBHGXIR-UHFFFAOYSA-N -1 0 339.435 3.929 20 0 EHADRM CC[C@H](C)c1cc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)on1 ZINC000236906410 1121467908 /nfs/dbraw/zinc/46/79/08/1121467908.db2.gz VFVNOBKBLXELHY-NSHDSACASA-N -1 0 346.383 3.926 20 0 EHADRM CCC[C@H](CC1CCCC1)C(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC000237021985 1121471927 /nfs/dbraw/zinc/47/19/27/1121471927.db2.gz VLCCYKFZBBXHOC-QGZVFWFLSA-N -1 0 347.455 3.763 20 0 EHADRM CCc1sc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])cc1C ZINC000237101582 1121474355 /nfs/dbraw/zinc/47/43/55/1121474355.db2.gz JIVFGWDOYBIPFY-AWEZNQCLSA-N -1 0 345.464 3.982 20 0 EHADRM CCc1ccc(CCC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000237166342 1121475147 /nfs/dbraw/zinc/47/51/47/1121475147.db2.gz GYHAXXLSALCCEU-FOIQADDNSA-N -1 0 339.435 3.760 20 0 EHADRM C[C@H]1CCc2c(C(=O)N(C)Cc3ccc(C(=O)[O-])cc3)csc2C1 ZINC000237611987 1121489500 /nfs/dbraw/zinc/48/95/00/1121489500.db2.gz JJZNBOGVIGGYBF-LBPRGKRZSA-N -1 0 343.448 3.843 20 0 EHADRM Cc1ccc(CSCC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000237757558 1121493813 /nfs/dbraw/zinc/49/38/13/1121493813.db2.gz HHKINRTYTNIINC-UHFFFAOYSA-N -1 0 329.421 3.874 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000237936886 1121499228 /nfs/dbraw/zinc/49/92/28/1121499228.db2.gz SAXAOYKRPJGCQW-NSHDSACASA-N -1 0 347.308 3.704 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)CSc1ccccc1Cl ZINC000237985581 1121499912 /nfs/dbraw/zinc/49/99/12/1121499912.db2.gz AGBZPTXXVYFNAO-GFCCVEGCSA-N -1 0 341.860 3.678 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000762962079 1121614447 /nfs/dbraw/zinc/61/44/47/1121614447.db2.gz IQSOFWNVYPIDJN-OLZOCXBDSA-N -1 0 328.368 3.998 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cc(-c2cccs2)[nH]n1 ZINC000762968397 1121619218 /nfs/dbraw/zinc/61/92/18/1121619218.db2.gz XUWISAKLOKMVHU-UHFFFAOYSA-N -1 0 342.405 3.820 20 0 EHADRM O=C(C[C@H]1OCCc2ccccc21)Nc1ccc2[n-]c(=S)oc2c1 ZINC000762985660 1121640394 /nfs/dbraw/zinc/64/03/94/1121640394.db2.gz UJZHLCMIKWOAHB-OAHLLOKOSA-N -1 0 340.404 3.759 20 0 EHADRM Cc1cccc(C)c1NCC(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000763001762 1121646830 /nfs/dbraw/zinc/64/68/30/1121646830.db2.gz RSJPIJUDVIFQAV-UHFFFAOYSA-N -1 0 327.409 3.784 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@@]2(C)CCCc3ccccc32)cc1C(=O)[O-] ZINC000262550783 1121932927 /nfs/dbraw/zinc/93/29/27/1121932927.db2.gz WYYMIZBVDKWPNW-FQEVSTJZSA-N -1 0 341.407 3.539 20 0 EHADRM O=C([N-]S(=O)(=O)/C=C\c1ccccc1)c1cc2ccccc2s1 ZINC000916184241 1122085467 /nfs/dbraw/zinc/08/54/67/1122085467.db2.gz VKUNXJHFFKQQRM-KHPPLWFESA-N -1 0 343.429 3.632 20 0 EHADRM O=C(OC/C=C/Cl)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000916608787 1122212187 /nfs/dbraw/zinc/21/21/87/1122212187.db2.gz LNEJWSBPQWPRBU-ZZXKWVIFSA-N -1 0 346.692 3.506 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2ccc(Br)s2)c1 ZINC000037403066 1122227586 /nfs/dbraw/zinc/22/75/86/1122227586.db2.gz ZIAKWEIQGIRZMF-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM Cc1ccnc(Oc2ccc(NC(=O)c3ccc(F)cc3[O-])cc2)n1 ZINC000124068554 1122274160 /nfs/dbraw/zinc/27/41/60/1122274160.db2.gz PGIXBZVXHCMCBL-UHFFFAOYSA-N -1 0 339.326 3.674 20 0 EHADRM O=C([N-]S(=O)(=O)/C=C\c1ccccc1)c1ccc2ccccc2c1 ZINC000916781860 1122348169 /nfs/dbraw/zinc/34/81/69/1122348169.db2.gz JPCVVTAXZGYXGV-SEYXRHQNSA-N -1 0 337.400 3.570 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H](C)CC(C)(C)C)cc1 ZINC000916790005 1122349310 /nfs/dbraw/zinc/34/93/10/1122349310.db2.gz JNIPCWVVCQQXCO-CQSZACIVSA-N -1 0 339.501 3.906 20 0 EHADRM O=C(Nc1nc(-c2ccccc2)ns1)c1ccc([O-])c(Cl)c1 ZINC000065074321 1122361649 /nfs/dbraw/zinc/36/16/49/1122361649.db2.gz PJFZPEALRPGQEE-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM Cc1ccc(C=CC(=O)NCc2n[nH]c(=S)n2C2CC2)cc1Cl ZINC000067070480 1122498381 /nfs/dbraw/zinc/49/83/81/1122498381.db2.gz PHBRRNULBONMGM-QPJJXVBHSA-N -1 0 348.859 3.567 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N[C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000262720144 1122781605 /nfs/dbraw/zinc/78/16/05/1122781605.db2.gz PJDNJGFXEVHPLF-BZSNNMDCSA-N -1 0 329.440 3.925 20 0 EHADRM CN(Cc1cccc2ccccc21)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262727559 1122792089 /nfs/dbraw/zinc/79/20/89/1122792089.db2.gz TXRBSDXJOJBEEZ-WKILWMFISA-N -1 0 325.408 3.689 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc(-n2cnnc2)cc1 ZINC000154727853 1122806392 /nfs/dbraw/zinc/80/63/92/1122806392.db2.gz WYRNXXZNJGXBRU-UHFFFAOYSA-N -1 0 349.177 3.532 20 0 EHADRM CCOc1cc([N-]S(=O)(=O)c2cc(C)c(C)s2)ccc1C ZINC000556348425 1122939778 /nfs/dbraw/zinc/93/97/78/1122939778.db2.gz CGNGCJNWGKSBFW-UHFFFAOYSA-N -1 0 325.455 3.873 20 0 EHADRM Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1c([O-])cccc1F ZINC000130353275 1122942859 /nfs/dbraw/zinc/94/28/59/1122942859.db2.gz WOHAELXAKVRUBB-UHFFFAOYSA-N -1 0 330.359 3.687 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N3CC[C@H](C(=O)[O-])[C@H](C)C3)o2)cc1 ZINC000262816737 1122977495 /nfs/dbraw/zinc/97/74/95/1122977495.db2.gz BILANCHVVADOGG-CJNGLKHVSA-N -1 0 341.407 3.692 20 0 EHADRM C/C=C\C[C@H](NC(=O)N[C@H](C)c1cccc2ccccc21)C(=O)[O-] ZINC000556681055 1123081100 /nfs/dbraw/zinc/08/11/00/1123081100.db2.gz MMJHHQODFVZVFL-IUHADDHOSA-N -1 0 326.396 3.619 20 0 EHADRM CC[C@H](C(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC)c1ccccc1 ZINC000262910317 1123083708 /nfs/dbraw/zinc/08/37/08/1123083708.db2.gz QPAZHEBPZADPLB-AWEZNQCLSA-N -1 0 343.379 3.534 20 0 EHADRM C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000155039037 1123096780 /nfs/dbraw/zinc/09/67/80/1123096780.db2.gz MCQKDGJPWPBJOY-LLVKDONJSA-N -1 0 342.420 3.525 20 0 EHADRM CC(C)Sc1ccccc1[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000132182176 1123207619 /nfs/dbraw/zinc/20/76/19/1123207619.db2.gz HGIOVOMDDLHJIG-UHFFFAOYSA-N -1 0 339.486 3.765 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)cnn1CC(C)C ZINC000499264576 1123315133 /nfs/dbraw/zinc/31/51/33/1123315133.db2.gz ICDIHQAABSGTOZ-UHFFFAOYSA-N -1 0 349.500 3.847 20 0 EHADRM CCC(CC)(CC(=O)N[C@@H](C[C@H]1CCOC1)c1ccccc1)C(=O)[O-] ZINC000133176064 1123356082 /nfs/dbraw/zinc/35/60/82/1123356082.db2.gz ZDNOMBIGHBSQSD-WBVHZDCISA-N -1 0 347.455 3.552 20 0 EHADRM CCO[N-]C(=O)C1(c2ccc(Br)cc2)CCCCC1 ZINC000920442529 1123369616 /nfs/dbraw/zinc/36/96/16/1123369616.db2.gz JNJJOKCHOQUCLK-UHFFFAOYSA-N -1 0 326.234 3.719 20 0 EHADRM CC[C@@H](C)[C@H](C)C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC000263067140 1123386665 /nfs/dbraw/zinc/38/66/65/1123386665.db2.gz IWTRIOJMMAZUNK-GUYJKWIASA-N -1 0 337.847 3.649 20 0 EHADRM CSc1ccc(C)c(C(=O)N2CCc3cccc(C(=O)[O-])c3C2)c1 ZINC000649257511 1123456500 /nfs/dbraw/zinc/45/65/00/1123456500.db2.gz MUJLPQVDYJBJOL-UHFFFAOYSA-N -1 0 341.432 3.614 20 0 EHADRM CC(C)COc1cccc(CNC(=O)c2c([O-])cc(F)cc2F)c1 ZINC000066051726 1129127455 /nfs/dbraw/zinc/12/74/55/1129127455.db2.gz YHHCRJYLQLBJCI-UHFFFAOYSA-N -1 0 335.350 3.635 20 0 EHADRM Cc1cccc(OC(F)F)c1NC(=O)c1ccc(C(=O)[O-])s1 ZINC000237668851 1123531759 /nfs/dbraw/zinc/53/17/59/1123531759.db2.gz UEOXFSFSORZYSV-UHFFFAOYSA-N -1 0 327.308 3.608 20 0 EHADRM CCc1onc(C)c1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000134761470 1123551698 /nfs/dbraw/zinc/55/16/98/1123551698.db2.gz ODHBKHOUAIORGD-UHFFFAOYSA-N -1 0 335.212 3.653 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2Cl)cc1C ZINC000134776521 1123553198 /nfs/dbraw/zinc/55/31/98/1123553198.db2.gz VWFVQYSRWCWTKK-UHFFFAOYSA-N -1 0 337.828 3.960 20 0 EHADRM CC[C@@H](C)CC(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000263197655 1123567816 /nfs/dbraw/zinc/56/78/16/1123567816.db2.gz UMOYUWFUFTWGCW-ZWNOBZJWSA-N -1 0 342.233 3.517 20 0 EHADRM CCC(CC)(CC(=O)Nc1ccc(F)c(Br)c1)C(=O)[O-] ZINC000135354188 1123604532 /nfs/dbraw/zinc/60/45/32/1123604532.db2.gz BMHAVOGRJVAJGV-UHFFFAOYSA-N -1 0 346.196 3.808 20 0 EHADRM CC(C)(C)OCc1ccc(NC(=O)C(=O)c2ccc(O)cc2)cc1 ZINC000672980511 1129133789 /nfs/dbraw/zinc/13/37/89/1129133789.db2.gz PSXQNOOLLOUNDW-UHFFFAOYSA-N -1 0 327.380 3.529 20 0 EHADRM O=C(C=Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000064690864 1123716539 /nfs/dbraw/zinc/71/65/39/1123716539.db2.gz BCWAWXYHSUIMFD-RMKNXTFCSA-N -1 0 339.775 3.838 20 0 EHADRM CN(CCc1ccccn1)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000080011027 1123734436 /nfs/dbraw/zinc/73/44/36/1123734436.db2.gz PQLXFMKEPIZATH-UHFFFAOYSA-N -1 0 340.810 3.909 20 0 EHADRM COc1ccc2c(c1)CCC[C@H]2CNC(=O)c1cc(F)c([O-])c(F)c1 ZINC000136998346 1123743615 /nfs/dbraw/zinc/74/36/15/1123743615.db2.gz XBTARHLKPQSMQD-LBPRGKRZSA-N -1 0 347.361 3.529 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)Nc1ccc2c(c1)CCO2)C1CCCCC1 ZINC000237616790 1123792537 /nfs/dbraw/zinc/79/25/37/1123792537.db2.gz QCABZRMULDQYHN-LJQANCHMSA-N -1 0 331.412 3.621 20 0 EHADRM Cc1ccc(-c2cc(C(=O)NCCCCCCCC(=O)[O-])on2)cc1 ZINC000237799544 1123865430 /nfs/dbraw/zinc/86/54/30/1123865430.db2.gz PIQLKGWUSLAIFJ-UHFFFAOYSA-N -1 0 344.411 3.805 20 0 EHADRM Cc1ccc(-c2ccncc2)cc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000237803383 1123870444 /nfs/dbraw/zinc/87/04/44/1123870444.db2.gz OOFWRXOUXNEQKG-JFRXWTBNSA-N -1 0 348.402 3.518 20 0 EHADRM Cc1ccc2[nH]c(C(=O)NCCCCCCCC(=O)[O-])cc2c1C ZINC000237819337 1123872003 /nfs/dbraw/zinc/87/20/03/1123872003.db2.gz ZVIZXGUUKCHRTB-UHFFFAOYSA-N -1 0 330.428 3.940 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)C[C@H]1CCCc2ccccc21 ZINC000237928118 1123918860 /nfs/dbraw/zinc/91/88/60/1123918860.db2.gz QZTFWBUEWXJDPA-SJORKVTESA-N -1 0 329.440 3.743 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)[C@@H]2SCCc3ccccc32)cc1 ZINC000237947680 1123925526 /nfs/dbraw/zinc/92/55/26/1123925526.db2.gz VKHROJBISMFVGH-RUJXFNLJSA-N -1 0 339.416 3.754 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)c1cnc(-c2ccccc2)s1 ZINC000238110811 1123988138 /nfs/dbraw/zinc/98/81/38/1123988138.db2.gz VUPLKVFQZORKNP-UHFFFAOYSA-N -1 0 346.452 3.965 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)C2(c3cccc(F)c3)CCC2)cc1 ZINC000238153526 1123992907 /nfs/dbraw/zinc/99/29/07/1123992907.db2.gz WUGBPGHMWHYZKG-JXMROGBWSA-N -1 0 339.366 3.984 20 0 EHADRM CCOc1ccc(/C=C/C(=O)c2cccc(O[C@H](C)C(=O)[O-])c2)cc1 ZINC000068726500 1124010901 /nfs/dbraw/zinc/01/09/01/1124010901.db2.gz BMBDTWWIGFVNSQ-BRADTZPFSA-N -1 0 340.375 3.833 20 0 EHADRM Cc1cc(/C=C/C(=O)c2cccc(O[C@H](C)C(=O)[O-])c2)cc(C)c1O ZINC000068726467 1124010992 /nfs/dbraw/zinc/01/09/92/1124010992.db2.gz KUJUQVMUOOCQIX-HSBSLETESA-N -1 0 340.375 3.757 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)CC(C)(C)C(F)(F)F ZINC000263543924 1124058353 /nfs/dbraw/zinc/05/83/53/1124058353.db2.gz SEMUOCYELOZGSV-GFCCVEGCSA-N -1 0 331.334 3.606 20 0 EHADRM O=C(N[C@H](c1ccccc1)C1CCOCC1)c1c([O-])cc(F)cc1F ZINC000734555464 1131251918 /nfs/dbraw/zinc/25/19/18/1131251918.db2.gz UIJSMPUVMXXIBF-GOSISDBHSA-N -1 0 347.361 3.568 20 0 EHADRM CC(C)[C@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccc(F)cc1F ZINC000263571083 1124541586 /nfs/dbraw/zinc/54/15/86/1124541586.db2.gz IZCBOOFAUAHDEA-MKBNYLNASA-N -1 0 339.382 3.669 20 0 EHADRM O=C([O-])C1CCC(C(=O)N2CCC[C@H]2CCCc2ccccc2)CC1 ZINC000263572205 1124573348 /nfs/dbraw/zinc/57/33/48/1124573348.db2.gz KPRWLEYYCPZSAF-CTWPCTMYSA-N -1 0 343.467 3.891 20 0 EHADRM O=S(=O)([N-]c1cccc(-n2cccc2)c1)c1cccc2cccnc21 ZINC000734741791 1131271734 /nfs/dbraw/zinc/27/17/34/1131271734.db2.gz MNRLTSVMKKESOV-UHFFFAOYSA-N -1 0 349.415 3.826 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1ccc2c3c(cccc31)CC2 ZINC000247922617 1124629238 /nfs/dbraw/zinc/62/92/38/1124629238.db2.gz PCRRFBNWFOMMRN-UHFFFAOYSA-N -1 0 339.416 3.748 20 0 EHADRM O=C([O-])C1(CC(=O)N(CCC(F)(F)F)Cc2ccccc2)CCC1 ZINC000263576872 1124655137 /nfs/dbraw/zinc/65/51/37/1124655137.db2.gz QXNXVNJVRGDIOW-UHFFFAOYSA-N -1 0 343.345 3.613 20 0 EHADRM N#C/C(=C\c1ccc([N+](=O)[O-])c([O-])c1)C(=O)c1ccc(Cl)s1 ZINC000181299074 1124737881 /nfs/dbraw/zinc/73/78/81/1124737881.db2.gz MOWJRMLTVMGJNA-WEVVVXLNSA-N -1 0 334.740 3.805 20 0 EHADRM CCc1sc(C(=O)[N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1C ZINC000069475945 1124804256 /nfs/dbraw/zinc/80/42/56/1124804256.db2.gz FWCJAXDSUXPNMH-UHFFFAOYSA-N -1 0 337.466 3.929 20 0 EHADRM CC(C)(C)c1ccc(C[C@]2(C)CCCN2C(=O)c2cc(=O)[nH][n-]2)cc1 ZINC000618107351 1124987522 /nfs/dbraw/zinc/98/75/22/1124987522.db2.gz SXHNCOXFHSLISL-FQEVSTJZSA-N -1 0 341.455 3.650 20 0 EHADRM Cc1cccc(CO[N-]C(=O)C2(c3ccc(F)cc3)CCCC2)n1 ZINC000826584311 1131327490 /nfs/dbraw/zinc/32/74/90/1131327490.db2.gz VKLHDWHROMOXOS-UHFFFAOYSA-N -1 0 328.387 3.589 20 0 EHADRM CC(C)Cc1nc(=NC(=O)c2cccc(Cl)c2Cl)s[n-]1 ZINC000618345540 1125056831 /nfs/dbraw/zinc/05/68/31/1125056831.db2.gz PQHJJHGJYFWYSD-UHFFFAOYSA-N -1 0 330.240 3.718 20 0 EHADRM CC(C)(C(=O)Nc1cccc(Cl)c1[O-])c1ccc2c(c1)OCCO2 ZINC000178358172 1131352614 /nfs/dbraw/zinc/35/26/14/1131352614.db2.gz VLVCZWVDJSVFIY-UHFFFAOYSA-N -1 0 347.798 3.733 20 0 EHADRM CC(=O)c1ccc(C([O-])=C(C#N)C(=O)c2c(C)[nH]c3ccccc32)cc1 ZINC000182846800 1125382454 /nfs/dbraw/zinc/38/24/54/1125382454.db2.gz RJFVLAONEIHAPP-KRWDZBQOSA-N -1 0 344.370 3.884 20 0 EHADRM CC(C)[C@@H](O)[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000619911229 1125430879 /nfs/dbraw/zinc/43/08/79/1125430879.db2.gz MKBBIDVQDUWKCN-IAGOWNOFSA-N -1 0 333.815 3.534 20 0 EHADRM C[C@H]1COC2(CCCC2)CN1C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000619932743 1125433261 /nfs/dbraw/zinc/43/32/61/1125433261.db2.gz RQWZEMBPJKAOSU-NSHDSACASA-N -1 0 343.345 3.585 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccsc2)s1)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000466092820 1129184486 /nfs/dbraw/zinc/18/44/86/1129184486.db2.gz BDZSZBKJMVXLEW-OLZOCXBDSA-N -1 0 348.497 3.779 20 0 EHADRM O=C([O-])c1cccc2oc(/C=C\c3cn4cc(Cl)ccc4n3)nc21 ZINC000670369687 1129206052 /nfs/dbraw/zinc/20/60/52/1129206052.db2.gz FFNCEFAIGDFWQI-ALCCZGGFSA-N -1 0 339.738 3.998 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)c(F)c1 ZINC000478855826 1129280553 /nfs/dbraw/zinc/28/05/53/1129280553.db2.gz MTSUWRKEMDEVDB-CRAIPNDOSA-N -1 0 341.382 3.980 20 0 EHADRM Cc1ccccc1CS(=O)(=O)[N-][C@@H](C1CCCCC1)C(F)(F)F ZINC000543167756 1129308973 /nfs/dbraw/zinc/30/89/73/1129308973.db2.gz ULDJRLULMIJCHJ-HNNXBMFYSA-N -1 0 349.418 3.926 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1n[n-]c2ccccc2c1=O)c1ccccc1 ZINC000735650642 1131369269 /nfs/dbraw/zinc/36/92/69/1131369269.db2.gz BJRXQIKZHPDWEQ-GOSISDBHSA-N -1 0 335.407 3.853 20 0 EHADRM CC(C)CN(Cc1ccccc1)C(=O)c1n[n-]c2ccccc2c1=O ZINC000735655685 1131370327 /nfs/dbraw/zinc/37/03/27/1131370327.db2.gz IATRYAURRVGOBN-UHFFFAOYSA-N -1 0 335.407 3.634 20 0 EHADRM CC(C)n1ncc2ccc(NC(=O)c3ccc(C(=O)[O-])cc3F)cc21 ZINC000358609093 1129405807 /nfs/dbraw/zinc/40/58/07/1129405807.db2.gz JDKKXKAJPOSEFB-UHFFFAOYSA-N -1 0 341.342 3.707 20 0 EHADRM CN(Cc1ccc(Cl)s1)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000358609491 1129405883 /nfs/dbraw/zinc/40/58/83/1129405883.db2.gz ORCKVMJZZZAQQQ-UHFFFAOYSA-N -1 0 327.764 3.511 20 0 EHADRM CCCN=c1[n-]nc(SC[C@H]2CCC3(CCCCC3)O2)s1 ZINC000466405090 1129427177 /nfs/dbraw/zinc/42/71/77/1129427177.db2.gz NFLKVMYPDXPVNL-GFCCVEGCSA-N -1 0 327.519 3.756 20 0 EHADRM COc1nccc2c(NC(=O)c3c([O-])cccc3Cl)cccc12 ZINC001626075321 1129450811 /nfs/dbraw/zinc/45/08/11/1129450811.db2.gz RDKWQDTXZHPGSM-UHFFFAOYSA-N -1 0 328.755 3.855 20 0 EHADRM O=S(=O)([N-]c1ccc(Oc2ccccc2)cn1)c1cccs1 ZINC000069678222 1129473363 /nfs/dbraw/zinc/47/33/63/1129473363.db2.gz IPZFABLBJWVAIY-UHFFFAOYSA-N -1 0 332.406 3.736 20 0 EHADRM C[C@@H](OC(=O)c1c(F)cc([O-])cc1F)c1nnc(-c2ccccc2)o1 ZINC000735949788 1131393676 /nfs/dbraw/zinc/39/36/76/1131393676.db2.gz IDNIHIZDPOKAPE-SECBINFHSA-N -1 0 346.289 3.638 20 0 EHADRM CCCN=c1[n-]nc(SC[C@@H](OC)c2ccc(Cl)cc2)s1 ZINC000509099201 1129745210 /nfs/dbraw/zinc/74/52/10/1129745210.db2.gz MUUPOGLREPJXNH-GFCCVEGCSA-N -1 0 343.905 3.915 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)c2csc(C(F)(F)F)c2)s[n-]1 ZINC000625218901 1129767798 /nfs/dbraw/zinc/76/77/98/1129767798.db2.gz RKAFRWMUWRPMQV-UHFFFAOYSA-N -1 0 335.376 3.590 20 0 EHADRM CN(CC1(c2ccccc2)CC1)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000186756974 1129804039 /nfs/dbraw/zinc/80/40/39/1129804039.db2.gz VYWGURANDYNYRV-UHFFFAOYSA-N -1 0 338.432 3.920 20 0 EHADRM COC(=O)c1cc(C)sc1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212510930 1129867637 /nfs/dbraw/zinc/86/76/37/1129867637.db2.gz JYESJLDJUXYIIH-UHFFFAOYSA-N -1 0 327.308 3.563 20 0 EHADRM CC(C)c1n[n-]c(=NCc2ccccc2OCc2ccncc2)s1 ZINC000347820300 1129876477 /nfs/dbraw/zinc/87/64/77/1129876477.db2.gz XJUNCNUMWGWGPT-UHFFFAOYSA-N -1 0 340.452 3.670 20 0 EHADRM CCCCOc1ccccc1[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000673884793 1129894729 /nfs/dbraw/zinc/89/47/29/1129894729.db2.gz ZNSYHKDSRRSNBG-UHFFFAOYSA-N -1 0 337.445 3.513 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000673898145 1129895981 /nfs/dbraw/zinc/89/59/81/1129895981.db2.gz CDZSNPZYHXZCEZ-HZPDHXFCSA-N -1 0 345.439 3.916 20 0 EHADRM C#CCOc1cc(F)ccc1NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000073991441 1129898838 /nfs/dbraw/zinc/89/88/38/1129898838.db2.gz OGTALILSJOVDAG-UHFFFAOYSA-N -1 0 342.351 3.894 20 0 EHADRM CCc1cc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)no1 ZINC000673897458 1129899212 /nfs/dbraw/zinc/89/92/12/1129899212.db2.gz FTVPAWAIERPPDX-UHFFFAOYSA-N -1 0 342.376 3.937 20 0 EHADRM CCOc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)n1 ZINC000673897875 1129899449 /nfs/dbraw/zinc/89/94/49/1129899449.db2.gz QHYQHLOBHHVQRR-UHFFFAOYSA-N -1 0 347.223 3.588 20 0 EHADRM O=C([O-])c1ccc(Nc2ccnn2-c2ccccc2F)c(F)c1F ZINC001212511808 1129913242 /nfs/dbraw/zinc/91/32/42/1129913242.db2.gz GQXFQCPIRIKQOH-UHFFFAOYSA-N -1 0 333.269 3.731 20 0 EHADRM COC(=O)c1cc(Nc2ccc(C(=O)[O-])c(F)c2F)ccc1Cl ZINC001212515492 1129928844 /nfs/dbraw/zinc/92/88/44/1129928844.db2.gz YZHITPIIDLNJIU-UHFFFAOYSA-N -1 0 341.697 3.847 20 0 EHADRM CCOc1ccc(CN=c2[n-]nc(CC3CCCCC3)o2)cc1OC ZINC000347869078 1129949227 /nfs/dbraw/zinc/94/92/27/1129949227.db2.gz FCKMUCBBFLDHOA-UHFFFAOYSA-N -1 0 345.443 3.634 20 0 EHADRM O=C(Nc1ncc(-c2ccccc2)cn1)c1cccc(Cl)c1[O-] ZINC001128582542 1129965125 /nfs/dbraw/zinc/96/51/25/1129965125.db2.gz LASQQHDXCIEGME-UHFFFAOYSA-N -1 0 325.755 3.755 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000466623728 1129981916 /nfs/dbraw/zinc/98/19/16/1129981916.db2.gz VQUYGVQFAHXOKG-HNNXBMFYSA-N -1 0 349.459 3.932 20 0 EHADRM C[C@@H](C(=O)N=c1ccc(-c2ccccc2)n[n-]1)c1ccc(F)c(F)c1 ZINC000466626780 1129989357 /nfs/dbraw/zinc/98/93/57/1129989357.db2.gz GXCDMXHPSOTZNU-GFCCVEGCSA-N -1 0 339.345 3.586 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)C(=O)c1ccc(F)cc1 ZINC000543577908 1129990060 /nfs/dbraw/zinc/99/00/60/1129990060.db2.gz RPDFCOFUGGNBKO-UHFFFAOYSA-N -1 0 328.126 3.660 20 0 EHADRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1nc2ccccc2s1 ZINC000509218335 1129992234 /nfs/dbraw/zinc/99/22/34/1129992234.db2.gz FQNTXFHQIJHJAV-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM O=S(=O)([N-]c1cc(-c2cccc(Cl)c2)[nH]n1)c1cccs1 ZINC000674755453 1130188785 /nfs/dbraw/zinc/18/87/85/1130188785.db2.gz RAQMNVKCTFLMIO-UHFFFAOYSA-N -1 0 339.829 3.592 20 0 EHADRM CCc1cc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)no1 ZINC000674845035 1130207279 /nfs/dbraw/zinc/20/72/79/1130207279.db2.gz CKEYCEPLXGMMKQ-UHFFFAOYSA-N -1 0 336.800 3.844 20 0 EHADRM CCOc1cc(Cl)ccc1NC(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC000675220745 1130286854 /nfs/dbraw/zinc/28/68/54/1130286854.db2.gz CPNGQSFCIVZLBK-AWEZNQCLSA-N -1 0 347.798 3.936 20 0 EHADRM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2c([O-])cc(F)cc2F)s1 ZINC000174517902 1130367912 /nfs/dbraw/zinc/36/79/12/1130367912.db2.gz ZKGCVCVELMMYSQ-SECBINFHSA-N -1 0 340.395 3.831 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cnn(CC3CC3)c2)cc1 ZINC000174768527 1130384008 /nfs/dbraw/zinc/38/40/08/1130384008.db2.gz PLGFCXKUGVENIR-ZDUSSCGKSA-N -1 0 333.457 3.607 20 0 EHADRM C[C@@H](CC(=O)N(CC(=O)[O-])CC1CC1)c1ccccc1C(F)(F)F ZINC000675974711 1130513332 /nfs/dbraw/zinc/51/33/32/1130513332.db2.gz XPUBZDDWRNIOCT-NSHDSACASA-N -1 0 343.345 3.522 20 0 EHADRM O=C([O-])CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl)C1CCCCC1 ZINC000675994264 1130515404 /nfs/dbraw/zinc/51/54/04/1130515404.db2.gz XVNXVKAWROPNMB-HUUCEWRRSA-N -1 0 335.831 3.689 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N3CCC[C@@H](CC(=O)[O-])C3)o2)cc1 ZINC000676217880 1130546461 /nfs/dbraw/zinc/54/64/61/1130546461.db2.gz DKVHDJBNQYWYEZ-HNNXBMFYSA-N -1 0 341.407 3.836 20 0 EHADRM C[C@@H](C(=O)N1CCC[C@H](CC(=O)[O-])C1)c1c(Cl)cccc1Cl ZINC000676217366 1130547084 /nfs/dbraw/zinc/54/70/84/1130547084.db2.gz SMLGLUUUOGOQOR-GHMZBOCLSA-N -1 0 344.238 3.810 20 0 EHADRM O=C(c1c([O-])cc(Cl)cc1Cl)N1CCC(c2ncco2)CC1 ZINC001119480077 1130658936 /nfs/dbraw/zinc/65/89/36/1130658936.db2.gz NEMZWMUZIATACE-UHFFFAOYSA-N -1 0 341.194 3.707 20 0 EHADRM Cc1nc([N-]S(=O)(=O)/C=C\c2ccc(Cl)cc2)sc1C ZINC000731057166 1130765384 /nfs/dbraw/zinc/76/53/84/1130765384.db2.gz SXRWMIMJKJFAMA-FPLPWBNLSA-N -1 0 328.846 3.826 20 0 EHADRM Cc1ccc([C@@H](NC(=O)c2n[n-]c3ccccc3c2=O)C2CC2)cc1 ZINC000731894464 1130857808 /nfs/dbraw/zinc/85/78/08/1130857808.db2.gz SUJIOZNJJCXBHO-QGZVFWFLSA-N -1 0 333.391 3.525 20 0 EHADRM Cc1ccc([C@H](NC(=O)c2n[n-]c3ccccc3c2=O)C2CC2)cc1 ZINC000731894463 1130858466 /nfs/dbraw/zinc/85/84/66/1130858466.db2.gz SUJIOZNJJCXBHO-KRWDZBQOSA-N -1 0 333.391 3.525 20 0 EHADRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1cc2cc(F)ccc2s1 ZINC000732906471 1130969519 /nfs/dbraw/zinc/96/95/19/1130969519.db2.gz YZAJZXVZNGFMGF-JTQLQIEISA-N -1 0 343.445 3.536 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000733713992 1131074026 /nfs/dbraw/zinc/07/40/26/1131074026.db2.gz RZWKDJLVXQXVER-DWLODGJJSA-N -1 0 341.517 3.618 20 0 EHADRM O=C(c1ccc(F)cc1[O-])N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000282618292 1131114906 /nfs/dbraw/zinc/11/49/06/1131114906.db2.gz ZOWXXAOCTPBQTK-CYBMUJFWSA-N -1 0 331.309 3.726 20 0 EHADRM Cc1cccc(C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)c1C ZINC000348006967 1131125640 /nfs/dbraw/zinc/12/56/40/1131125640.db2.gz UEISNUMUUNYLET-UHFFFAOYSA-N -1 0 331.799 3.684 20 0 EHADRM Cc1ccc(C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)cc1C ZINC000348008560 1131125919 /nfs/dbraw/zinc/12/59/19/1131125919.db2.gz VLYAJLPKIMFDIQ-UHFFFAOYSA-N -1 0 331.799 3.684 20 0 EHADRM C[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000734082028 1131195008 /nfs/dbraw/zinc/19/50/08/1131195008.db2.gz TYSQAWXETDNGIJ-JTQLQIEISA-N -1 0 347.839 3.500 20 0 EHADRM CCC(CC)(CC(=O)N[C@H](C)c1nc2ccccc2s1)C(=O)[O-] ZINC000734158533 1131205234 /nfs/dbraw/zinc/20/52/34/1131205234.db2.gz PGBABQZRGYCEMD-LLVKDONJSA-N -1 0 334.441 3.755 20 0 EHADRM CC[C@H](CC(=O)[N-]S(=O)(=O)c1ccccc1C)c1ccc(C)cc1 ZINC000739138007 1131493091 /nfs/dbraw/zinc/49/30/91/1131493091.db2.gz PKMNLOUWYRWQBA-MRXNPFEDSA-N -1 0 345.464 3.692 20 0 EHADRM CC[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 ZINC000739139134 1131493353 /nfs/dbraw/zinc/49/33/53/1131493353.db2.gz WKINGBNOJGVHFU-INIZCTEOSA-N -1 0 345.464 3.692 20 0 EHADRM CS[C@H]1CC[C@@H](NS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000742328097 1131706166 /nfs/dbraw/zinc/70/61/66/1131706166.db2.gz IIWFDKGSJPRQPE-BDAKNGLRSA-N -1 0 340.297 3.556 20 0 EHADRM COc1cccc(Nc2c(O)cc(S(=O)(=O)[O-])c3ccccc32)c1 ZINC001173828853 1132161536 /nfs/dbraw/zinc/16/15/36/1132161536.db2.gz NBHWTQZHQLKOCS-UHFFFAOYSA-N -1 0 345.376 3.544 20 0 EHADRM COCc1ccccc1Nc1ccc2ccccc2c1S(=O)(=O)[O-] ZINC001174105437 1132229759 /nfs/dbraw/zinc/22/97/59/1132229759.db2.gz SAFRJBABSQANNT-UHFFFAOYSA-N -1 0 343.404 3.977 20 0 EHADRM CC(C)(C)SCC(=O)NCc1c(C(=O)[O-])sc2ccsc21 ZINC000737585151 1132305265 /nfs/dbraw/zinc/30/52/65/1132305265.db2.gz BAERTSXNBLRUQC-UHFFFAOYSA-N -1 0 343.495 3.809 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2C(F)(F)F)cc1N ZINC001174484479 1132368915 /nfs/dbraw/zinc/36/89/15/1132368915.db2.gz HILAOECKIJNPRS-UHFFFAOYSA-N -1 0 348.321 3.536 20 0 EHADRM COCCNc1cccc(F)c1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174497205 1132372659 /nfs/dbraw/zinc/37/26/59/1132372659.db2.gz KINXRZDTQDPTOL-CMDGGOBGSA-N -1 0 330.359 3.725 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1nc2ccccc2nc1Cl ZINC001174671125 1132432395 /nfs/dbraw/zinc/43/23/95/1132432395.db2.gz TWCGRHUERKLBFQ-UHFFFAOYSA-N -1 0 329.743 3.734 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cc(-c2ccncn2)cs1 ZINC001174675261 1132432754 /nfs/dbraw/zinc/43/27/54/1132432754.db2.gz UESSSBLRJFPYJL-UHFFFAOYSA-N -1 0 327.365 3.656 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cc(-c2cccc(C)c2)nn1C ZINC001174676276 1132432802 /nfs/dbraw/zinc/43/28/02/1132432802.db2.gz BUODSRPVMREFPL-UHFFFAOYSA-N -1 0 337.379 3.846 20 0 EHADRM COC(=O)c1cc(Nc2ccc(C(=O)[O-])cc2OC)c(C)cc1C ZINC001174675185 1132432933 /nfs/dbraw/zinc/43/29/33/1132432933.db2.gz HLCYFXRPNHKKLB-UHFFFAOYSA-N -1 0 329.352 3.540 20 0 EHADRM O=C([O-])c1ccc(Nc2c(F)cccc2OC2CCOCC2)s1 ZINC001174806798 1132478252 /nfs/dbraw/zinc/47/82/52/1132478252.db2.gz FFMLTCCJQJRLAD-UHFFFAOYSA-N -1 0 337.372 3.887 20 0 EHADRM CCOC(=O)c1oc2ncccc2c1Nc1ccc(C(=O)[O-])s1 ZINC001174805323 1132478404 /nfs/dbraw/zinc/47/84/04/1132478404.db2.gz PJUULQUQAWQLLR-UHFFFAOYSA-N -1 0 332.337 3.508 20 0 EHADRM COC(=O)c1cc(Cl)c(F)cc1Nc1ccc(C(=O)[O-])s1 ZINC001174808463 1132479165 /nfs/dbraw/zinc/47/91/65/1132479165.db2.gz RFKSAZLCZAEWSP-UHFFFAOYSA-N -1 0 329.736 3.769 20 0 EHADRM Nc1cc(Br)cc(F)c1Nc1ccc(C(=O)[O-])s1 ZINC001174809399 1132480235 /nfs/dbraw/zinc/48/02/35/1132480235.db2.gz HANHOJWFBXQJQJ-UHFFFAOYSA-N -1 0 331.166 3.674 20 0 EHADRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)/C=C\c1ccccc1F ZINC000746375292 1132502681 /nfs/dbraw/zinc/50/26/81/1132502681.db2.gz BCJNQJYZNQAQFE-YFHOEESVSA-N -1 0 347.773 3.606 20 0 EHADRM CN1C(=O)CC(C)(C)c2cc(Nc3ccc(CC(=O)[O-])cc3)ccc21 ZINC001174956837 1132518503 /nfs/dbraw/zinc/51/85/03/1132518503.db2.gz QBHUQQXQHMJRMJ-UHFFFAOYSA-N -1 0 338.407 3.701 20 0 EHADRM COc1cccc(F)c1Nc1cc(Cl)c(C)cc1S(=O)(=O)[O-] ZINC001174994850 1132524857 /nfs/dbraw/zinc/52/48/57/1132524857.db2.gz XVNJVYDUJLTOIP-UHFFFAOYSA-N -1 0 345.779 3.786 20 0 EHADRM CCC[C@@H](C(=O)[N-]S(=O)(=O)CC1CCCCC1)c1ccccc1 ZINC000746445766 1132534179 /nfs/dbraw/zinc/53/41/79/1132534179.db2.gz HBHMIPZDSIHGCD-QGZVFWFLSA-N -1 0 337.485 3.597 20 0 EHADRM COc1cc(Nc2cc(C(=O)[O-])ccc2C)c(C(C)=O)cc1OC ZINC001174981673 1132534410 /nfs/dbraw/zinc/53/44/10/1132534410.db2.gz FQRSKJWWZXPLML-UHFFFAOYSA-N -1 0 329.352 3.657 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 ZINC001174981061 1132534495 /nfs/dbraw/zinc/53/44/95/1132534495.db2.gz CBVGANHCDDIFQD-VIFPVBQESA-N -1 0 344.436 3.722 20 0 EHADRM COC(=O)c1cnc2ccc(Nc3cc(C(=O)[O-])ccc3C)cc2c1 ZINC001174983956 1132534862 /nfs/dbraw/zinc/53/48/62/1132534862.db2.gz FYGWNAAMNGSETD-UHFFFAOYSA-N -1 0 336.347 3.772 20 0 EHADRM COC(=O)c1cc(Nc2cc(C(=O)[O-])ccc2C)c(Cl)s1 ZINC001174982259 1132535576 /nfs/dbraw/zinc/53/55/76/1132535576.db2.gz XIWRQEPZZMRYSI-UHFFFAOYSA-N -1 0 325.773 3.938 20 0 EHADRM O=C(Cc1csc(-c2cccc(F)c2)n1)[N-]Oc1ccccc1 ZINC000773462566 1132573655 /nfs/dbraw/zinc/57/36/55/1132573655.db2.gz TVAIKSDPEGGJIR-UHFFFAOYSA-N -1 0 328.368 3.602 20 0 EHADRM O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)[N-]Oc1ccccc1 ZINC000773470134 1132589953 /nfs/dbraw/zinc/58/99/53/1132589953.db2.gz ZKWOADNLTGDOHR-AWEZNQCLSA-N -1 0 326.179 3.527 20 0 EHADRM COCCOc1c(F)cc(Nc2ccc(F)c(C(=O)[O-])c2)cc1F ZINC001175221195 1132598935 /nfs/dbraw/zinc/59/89/35/1132598935.db2.gz AQZCBURSWNDOTI-UHFFFAOYSA-N -1 0 341.285 3.571 20 0 EHADRM COCCCNc1cccc(F)c1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175222522 1132600047 /nfs/dbraw/zinc/60/00/47/1132600047.db2.gz TZIQQQMWYADWPI-UHFFFAOYSA-N -1 0 336.338 3.855 20 0 EHADRM O=C([O-])c1cc(Nc2cccc(F)c2OC[C@@H]2CCCO2)ccc1F ZINC001175222107 1132600089 /nfs/dbraw/zinc/60/00/89/1132600089.db2.gz SIJSVYODAKCTLW-LBPRGKRZSA-N -1 0 349.333 3.964 20 0 EHADRM Cc1cnn(Cc2ccccc2F)c1Nc1cccc(C(=O)[O-])c1 ZINC001175328275 1132640290 /nfs/dbraw/zinc/64/02/90/1132640290.db2.gz GGUZXPQCGQYGNG-UHFFFAOYSA-N -1 0 325.343 3.821 20 0 EHADRM Nc1cc(Br)cc2c1ccn2-c1cccc(C(=O)[O-])c1 ZINC001175329754 1132640325 /nfs/dbraw/zinc/64/03/25/1132640325.db2.gz UNHJKZUEVKCJQS-UHFFFAOYSA-N -1 0 331.169 3.673 20 0 EHADRM CCOC(=O)c1cnc2cc(Nc3cccc(C(=O)[O-])c3)ccc2c1 ZINC001175334839 1132642045 /nfs/dbraw/zinc/64/20/45/1132642045.db2.gz LEDOZPKFPOEZOV-UHFFFAOYSA-N -1 0 336.347 3.853 20 0 EHADRM CCOC(=O)Cc1ccc(Cl)c(Nc2cccc(C(=O)[O-])c2)c1 ZINC001175334612 1132642187 /nfs/dbraw/zinc/64/21/87/1132642187.db2.gz HWGYQXJALCYIOO-UHFFFAOYSA-N -1 0 333.771 3.887 20 0 EHADRM COc1cc(Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)ccc1F ZINC001175399942 1132659775 /nfs/dbraw/zinc/65/97/75/1132659775.db2.gz KQUJBYUZOQCUEB-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM COc1ccc2nc(C)nc(-c3cc(F)c(F)c(C(=O)[O-])c3)c2c1 ZINC001206006146 1132725858 /nfs/dbraw/zinc/72/58/58/1132725858.db2.gz YDVFJRFTMGYATN-UHFFFAOYSA-N -1 0 330.290 3.590 20 0 EHADRM CSc1ccc(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)cn1 ZINC001175655356 1132731826 /nfs/dbraw/zinc/73/18/26/1132731826.db2.gz GDHCDSZIPSELSM-UHFFFAOYSA-N -1 0 346.433 3.947 20 0 EHADRM Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2nccc(Br)c2[O-])c1 ZINC001169382483 1132739057 /nfs/dbraw/zinc/73/90/57/1132739057.db2.gz DZAQJKGOJNMPSU-NWDGAFQWSA-N -1 0 347.212 3.600 20 0 EHADRM Cc1cscc1Nc1c(O)cc(S(=O)(=O)[O-])c2ccccc21 ZINC001175767516 1132761576 /nfs/dbraw/zinc/76/15/76/1132761576.db2.gz LFXJEQQQGZTOGB-UHFFFAOYSA-N -1 0 335.406 3.906 20 0 EHADRM O=C([O-])c1cncc(Nc2ccc3c(c2)OC2(CCCCC2)O3)c1 ZINC001175841589 1132772663 /nfs/dbraw/zinc/77/26/63/1132772663.db2.gz MVHURMIYBYRFQN-UHFFFAOYSA-N -1 0 326.352 3.955 20 0 EHADRM O=C([O-])c1cncc(Nc2ccnc3cc(Br)ccc32)c1 ZINC001175840451 1132772963 /nfs/dbraw/zinc/77/29/63/1132772963.db2.gz OFKLKCGXIPAYOH-UHFFFAOYSA-N -1 0 344.168 3.834 20 0 EHADRM Nc1cc(Cl)c(Br)cc1Nc1cncc(C(=O)[O-])c1 ZINC001175843508 1132773299 /nfs/dbraw/zinc/77/32/99/1132773299.db2.gz RLCMOKAPVNTOLF-UHFFFAOYSA-N -1 0 342.580 3.522 20 0 EHADRM CCCCC(=O)[C@H](C)Nc1ccc(Br)cc1C(=O)[O-] ZINC001169548512 1132783818 /nfs/dbraw/zinc/78/38/18/1132783818.db2.gz XXTFMHOZCAOQGP-VIFPVBQESA-N -1 0 328.206 3.707 20 0 EHADRM COc1ccc(Nc2ccc(F)c3ccccc23)c(S(=O)(=O)[O-])c1 ZINC001175953881 1132811766 /nfs/dbraw/zinc/81/17/66/1132811766.db2.gz HTHNVBSTQBNPMT-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM COc1ccc(Nc2cc(C)c(Cl)c(C)c2)c(S(=O)(=O)[O-])c1 ZINC001176337791 1132902625 /nfs/dbraw/zinc/90/26/25/1132902625.db2.gz FISVRODXFHUZKK-UHFFFAOYSA-N -1 0 341.816 3.956 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2ccc(Oc3ccccc3)nc2)cc1 ZINC001176374783 1132925331 /nfs/dbraw/zinc/92/53/31/1132925331.db2.gz BROBULJQXOKGFE-UHFFFAOYSA-N -1 0 342.376 3.864 20 0 EHADRM O=C([O-])c1cc(Nc2cn3cc(Br)ccc3n2)cs1 ZINC001176435026 1132928252 /nfs/dbraw/zinc/92/82/52/1132928252.db2.gz HFCDFETWVPJMSP-UHFFFAOYSA-N -1 0 338.186 3.600 20 0 EHADRM CCNc1ccc(C(=O)OCC)cc1Nc1csc(C(=O)[O-])c1 ZINC001176439032 1132929124 /nfs/dbraw/zinc/92/91/24/1132929124.db2.gz HJAQPWGENCDXOK-UHFFFAOYSA-N -1 0 334.397 3.798 20 0 EHADRM COc1c(Br)cccc1Nc1csc(C(=O)[O-])c1 ZINC001176441896 1132930703 /nfs/dbraw/zinc/93/07/03/1132930703.db2.gz XFYFARRDGLPWFD-UHFFFAOYSA-N -1 0 328.187 3.961 20 0 EHADRM O=C([O-])CN(C(=O)Cc1c[nH]c2cc(Cl)ccc12)C1CCCCC1 ZINC000767026399 1132936393 /nfs/dbraw/zinc/93/63/93/1132936393.db2.gz XYVIHCWTXALCLQ-UHFFFAOYSA-N -1 0 348.830 3.610 20 0 EHADRM COC(=O)c1csc(C)c1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176584358 1132961105 /nfs/dbraw/zinc/96/11/05/1132961105.db2.gz JMZOOCHBEFSPTR-UHFFFAOYSA-N -1 0 331.393 3.703 20 0 EHADRM COc1cccc(-n2nccc2Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1 ZINC001176587435 1132961886 /nfs/dbraw/zinc/96/18/86/1132961886.db2.gz ZJRMBMLNUXXZLS-UHFFFAOYSA-N -1 0 349.390 3.741 20 0 EHADRM COc1ncc(Nc2ccc(/C=C/C(=O)[O-])cc2)cc1C(F)(F)F ZINC001176594672 1132963224 /nfs/dbraw/zinc/96/32/24/1132963224.db2.gz WGVWPNGBSACCQT-QPJJXVBHSA-N -1 0 338.285 3.950 20 0 EHADRM CCc1c(C)sc(Nc2ccc(/C=C/C(=O)[O-])cc2)c1C(N)=O ZINC001176591973 1132963234 /nfs/dbraw/zinc/96/32/34/1132963234.db2.gz RHRBSYZNUYGXNT-RMKNXTFCSA-N -1 0 330.409 3.559 20 0 EHADRM Cc1ccc(Br)c(Nc2ccc(/C=C/C(=O)[O-])cc2)n1 ZINC001176591644 1132963305 /nfs/dbraw/zinc/96/33/05/1132963305.db2.gz NCNJDXXJUNPWBX-WEVVVXLNSA-N -1 0 333.185 3.994 20 0 EHADRM COC(=O)Cc1c(F)ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)c1F ZINC001176595217 1132963767 /nfs/dbraw/zinc/96/37/67/1132963767.db2.gz FKHKNKNSWNMPSW-RUDMXATFSA-N -1 0 347.317 3.522 20 0 EHADRM COC(=O)C1(c2ccc(Nc3ccc(/C=C/C(=O)[O-])cc3)cc2)CC1 ZINC001176596011 1132964368 /nfs/dbraw/zinc/96/43/68/1132964368.db2.gz USEVRXFSBACBSV-NYYWCZLTSA-N -1 0 337.375 3.733 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2cccc3c2C(=O)N(C2CC2)C3)cc1 ZINC001176597038 1132967903 /nfs/dbraw/zinc/96/79/03/1132967903.db2.gz KTKJFNQQAXVFFU-IZZDOVSWSA-N -1 0 334.375 3.646 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2cccc(O)c2Br)cc1 ZINC001176597799 1132976259 /nfs/dbraw/zinc/97/62/59/1132976259.db2.gz VUPDMMXAZDJOIE-RMKNXTFCSA-N -1 0 334.169 3.996 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(OC[C@H]3CCCO3)c(F)c2)cc1 ZINC001176712365 1132995425 /nfs/dbraw/zinc/99/54/25/1132995425.db2.gz SXHGYEJUKMAWGZ-OAHLLOKOSA-N -1 0 331.343 3.825 20 0 EHADRM CCOC(=O)Cc1ccc(Cl)c(Nc2ccc(C(=O)[O-])cc2)c1 ZINC001176714075 1132995900 /nfs/dbraw/zinc/99/59/00/1132995900.db2.gz GBXBPRORKGRACZ-UHFFFAOYSA-N -1 0 333.771 3.887 20 0 EHADRM O=C(CCc1ccc(C(F)(F)F)nc1)Nc1ccccc1[S-] ZINC001176855011 1133008573 /nfs/dbraw/zinc/00/85/73/1133008573.db2.gz BKRNOGHLCCHCCP-UHFFFAOYSA-N -1 0 326.343 3.960 20 0 EHADRM CC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000780421045 1133055550 /nfs/dbraw/zinc/05/55/50/1133055550.db2.gz TVQKBJBWLSLVEH-UHFFFAOYSA-N -1 0 339.363 3.585 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)sc2c1)C1(c2ccncc2)CC1 ZINC001177608971 1133086029 /nfs/dbraw/zinc/08/60/29/1133086029.db2.gz GQOBBGKFYRCANH-UHFFFAOYSA-N -1 0 327.434 3.650 20 0 EHADRM Cc1ccnc(CC(=O)Nc2cc(Cl)c(C)c(Cl)c2[O-])c1 ZINC001178269669 1133151565 /nfs/dbraw/zinc/15/15/65/1133151565.db2.gz ZJVBNZBRZKADOY-UHFFFAOYSA-N -1 0 325.195 3.892 20 0 EHADRM CC(=O)c1cc(F)c([O-])c(NC(=O)c2cc(C)ccc2NC2CC2)c1 ZINC001178432898 1133163022 /nfs/dbraw/zinc/16/30/22/1133163022.db2.gz FRGWTQGPYRUQEE-UHFFFAOYSA-N -1 0 342.370 3.869 20 0 EHADRM CC[C@H](Oc1ccccc1F)C(=O)Nc1cc(C(C)=O)cc(F)c1[O-] ZINC001178433112 1133163905 /nfs/dbraw/zinc/16/39/05/1133163905.db2.gz KEXKGDZEUQXVIJ-HNNXBMFYSA-N -1 0 349.333 3.669 20 0 EHADRM CCC(=O)N1CCc2ccc(NC(=O)c3ccc(Cl)c([O-])c3)cc21 ZINC001178995444 1133220219 /nfs/dbraw/zinc/22/02/19/1133220219.db2.gz XZRAUTOJBVAIQR-UHFFFAOYSA-N -1 0 344.798 3.597 20 0 EHADRM O=C(COc1ccc2c(c1)CCC2)Nc1ccc2[n-]c(=S)oc2c1 ZINC000769245919 1133250636 /nfs/dbraw/zinc/25/06/36/1133250636.db2.gz PRDWRMGKHUVHBV-UHFFFAOYSA-N -1 0 340.404 3.623 20 0 EHADRM O=C([N-][C@H]1CCc2c1c(F)ccc2F)C(F)(F)C(F)(F)Cl ZINC001179781914 1133279391 /nfs/dbraw/zinc/27/93/91/1133279391.db2.gz VRKSEQIWSLDSJT-QMMMGPOBSA-N -1 0 331.643 3.535 20 0 EHADRM CCC[C@H](C(=O)N[C@H](C)c1nn(C)cc1[O-])c1ccc(Cl)cc1 ZINC001179926455 1133299921 /nfs/dbraw/zinc/29/99/21/1133299921.db2.gz FRUDGWQKBRCNOF-RISCZKNCSA-N -1 0 335.835 3.540 20 0 EHADRM CCCCc1oc2ccccc2c1/C=C\C(=O)N(C)CCC(=O)[O-] ZINC000769540910 1133300532 /nfs/dbraw/zinc/30/05/32/1133300532.db2.gz KRGJFFHMBMSYQM-KHPPLWFESA-N -1 0 329.396 3.722 20 0 EHADRM CCn1cnnc1-c1cccc(NC(=O)c2c([O-])cccc2Cl)c1 ZINC000769687614 1133325203 /nfs/dbraw/zinc/32/52/03/1133325203.db2.gz OHFLIZXVTOXEIG-UHFFFAOYSA-N -1 0 342.786 3.576 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(F)c(Br)c1[O-])C(F)(F)F ZINC001180087749 1133327768 /nfs/dbraw/zinc/32/77/68/1133327768.db2.gz FGTOWMLJDAYTDI-YFKPBYRVSA-N -1 0 344.102 3.821 20 0 EHADRM Cc1nccn1-c1ncccc1NC(=O)c1ccc2ccccc2c1O ZINC000769707152 1133332817 /nfs/dbraw/zinc/33/28/17/1133332817.db2.gz WVEFIUQGBLOTMI-UHFFFAOYSA-N -1 0 344.374 3.687 20 0 EHADRM Cc1c(Cl)cc(NC(=O)C(=O)Cc2ccccc2)c([O-])c1Cl ZINC001181377379 1133481243 /nfs/dbraw/zinc/48/12/43/1133481243.db2.gz BBTQNBVUKHTYLU-UHFFFAOYSA-N -1 0 338.190 3.758 20 0 EHADRM CC(C)c1cnc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)s1 ZINC000771527719 1133571106 /nfs/dbraw/zinc/57/11/06/1133571106.db2.gz BAINRCVYDFOEKB-UHFFFAOYSA-N -1 0 339.417 3.688 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCC2(C)C)s1 ZINC000774235028 1133637692 /nfs/dbraw/zinc/63/76/92/1133637692.db2.gz INBCLBVZXFDDRO-NSHDSACASA-N -1 0 343.514 3.677 20 0 EHADRM O=C([N-]O[C@@H]1CCCCO1)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000772154376 1133651923 /nfs/dbraw/zinc/65/19/23/1133651923.db2.gz IWMXGAFCQWDZRZ-CYBMUJFWSA-N -1 0 344.238 3.990 20 0 EHADRM CCC1(CC)[C@H](NC(=O)c2cc(F)cc(Cl)c2[O-])[C@@H](C)[C@@H]1OC ZINC001183093153 1133767569 /nfs/dbraw/zinc/76/75/69/1133767569.db2.gz LIWDTKQDHOCKSL-ZWZTZDBGSA-N -1 0 343.826 3.754 20 0 EHADRM CC(C)OC(=O)c1ccc(NC(=O)Cc2ccc([S-])cc2)cc1 ZINC001183188229 1133776683 /nfs/dbraw/zinc/77/66/83/1133776683.db2.gz JQKOWHFETSKQEV-UHFFFAOYSA-N -1 0 329.421 3.722 20 0 EHADRM Cc1nc(-c2cccc(CNC(=O)c3ccc(F)cc3[O-])c2)cs1 ZINC001184071278 1133889093 /nfs/dbraw/zinc/88/90/93/1133889093.db2.gz ZRLFIWYBACXZAA-UHFFFAOYSA-N -1 0 342.395 3.893 20 0 EHADRM CC(C)[C@H]([N-]S(=O)(=O)/C=C/c1cccc(Cl)c1)C(F)(F)F ZINC000786892673 1133916970 /nfs/dbraw/zinc/91/69/70/1133916970.db2.gz WVEPTXQIJDYCQD-SYTKJHMZSA-N -1 0 341.782 3.817 20 0 EHADRM CC(C)(C)CCCC(=O)[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000787005595 1133932633 /nfs/dbraw/zinc/93/26/33/1133932633.db2.gz ROMCQILJXHZWEY-UHFFFAOYSA-N -1 0 349.855 3.642 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)C12CC(C(F)(F)F)(C1)C2 ZINC000787120936 1133954221 /nfs/dbraw/zinc/95/42/21/1133954221.db2.gz IALSIXUAMVQLSM-UHFFFAOYSA-N -1 0 328.315 3.788 20 0 EHADRM CCc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccnc1Cl ZINC001184880783 1134002308 /nfs/dbraw/zinc/00/23/08/1134002308.db2.gz QZJKCCWNKVEPOG-UHFFFAOYSA-N -1 0 331.224 3.752 20 0 EHADRM CC(C)c1cccc([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)n1 ZINC001185185760 1134046844 /nfs/dbraw/zinc/04/68/44/1134046844.db2.gz GVGCPDYUWAVKEK-UHFFFAOYSA-N -1 0 343.408 3.661 20 0 EHADRM Cc1onc(OC(F)F)c1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000788133278 1134083417 /nfs/dbraw/zinc/08/34/17/1134083417.db2.gz WMWIGSXMMLVHTJ-UHFFFAOYSA-N -1 0 346.355 3.509 20 0 EHADRM Cc1cnn(CC2CC2)c1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185429479 1134084110 /nfs/dbraw/zinc/08/41/10/1134084110.db2.gz NQRRAUNNPBQAOK-UHFFFAOYSA-N -1 0 347.465 3.617 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)cn1 ZINC000788140426 1134084510 /nfs/dbraw/zinc/08/45/10/1134084510.db2.gz XXKYOWAFFPDYQR-UHFFFAOYSA-N -1 0 330.381 3.506 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)C=C([O-])c1ccccc1Cl)C1CC1 ZINC001185436883 1134086488 /nfs/dbraw/zinc/08/64/88/1134086488.db2.gz SZWKZYKCDSKNKC-LJQANCHMSA-N -1 0 342.826 3.884 20 0 EHADRM COc1ccc(F)c([N-]S(=O)(=O)c2cc3ccccc3s2)c1 ZINC001185462950 1134092587 /nfs/dbraw/zinc/09/25/87/1134092587.db2.gz RFSLNGDMUPUSSJ-UHFFFAOYSA-N -1 0 337.397 3.850 20 0 EHADRM Cc1cnn(C2CCC2)c1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1 ZINC001185500006 1134100288 /nfs/dbraw/zinc/10/02/88/1134100288.db2.gz VALAZEQZGBTVAW-UHFFFAOYSA-N -1 0 339.848 3.679 20 0 EHADRM COC[C@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)c1ccc(F)cc1 ZINC000074224412 1134135268 /nfs/dbraw/zinc/13/52/68/1134135268.db2.gz VGNRTKUFWMKKJC-AWEZNQCLSA-N -1 0 346.383 3.747 20 0 EHADRM O=C(c1cccc([S-])c1)N1CCC2(Cc3ccccc3O2)CC1 ZINC001186149736 1134175372 /nfs/dbraw/zinc/17/53/72/1134175372.db2.gz UACKBKLYPKULJV-UHFFFAOYSA-N -1 0 325.433 3.585 20 0 EHADRM O=C(c1cccc([S-])c1)N1CCC(c2[nH]nc3ccccc32)CC1 ZINC001186149773 1134175582 /nfs/dbraw/zinc/17/55/82/1134175582.db2.gz USCWZKWMHJMVBV-UHFFFAOYSA-N -1 0 337.448 3.871 20 0 EHADRM CCc1cccc(O)c1[N-]S(=O)(=O)c1csc2ccccc21 ZINC001186509174 1134226752 /nfs/dbraw/zinc/22/67/52/1134226752.db2.gz SRAYLJBRTAKBKI-UHFFFAOYSA-N -1 0 333.434 3.970 20 0 EHADRM Cn1ccnc1[N-]S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC001186606070 1134239249 /nfs/dbraw/zinc/23/92/49/1134239249.db2.gz PCZKNOIAMFXVFP-UHFFFAOYSA-N -1 0 347.827 3.541 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCCC2(CC(F)C2)CC1 ZINC001186778902 1134256385 /nfs/dbraw/zinc/25/63/85/1134256385.db2.gz IRRBBOIEFMIXEU-UHFFFAOYSA-N -1 0 331.309 3.554 20 0 EHADRM Cc1cc(Cl)c(NC(=O)c2cc(F)c(F)c([O-])c2F)cc1O ZINC001186780768 1134257404 /nfs/dbraw/zinc/25/74/04/1134257404.db2.gz XOYHCAJTRYNHTA-UHFFFAOYSA-N -1 0 331.677 3.729 20 0 EHADRM O=C(Nc1ccc2c[nH]nc2c1Cl)c1cc(F)c(F)c([O-])c1F ZINC001186787326 1134258282 /nfs/dbraw/zinc/25/82/82/1134258282.db2.gz DJDDFPBSXMPIHK-UHFFFAOYSA-N -1 0 341.676 3.592 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1ccccn1 ZINC001186798607 1134258772 /nfs/dbraw/zinc/25/87/72/1134258772.db2.gz POFFGAYMAMIOBG-CYBMUJFWSA-N -1 0 338.329 3.722 20 0 EHADRM C/C=C(\CC)C(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000789335005 1134259073 /nfs/dbraw/zinc/25/90/73/1134259073.db2.gz DNAMIAOJMRCWMM-LZWSPWQCSA-N -1 0 335.469 3.896 20 0 EHADRM O=S(=O)([N-]c1cc(C(F)(F)F)nc2ccccc12)c1ccco1 ZINC001186819649 1134262482 /nfs/dbraw/zinc/26/24/82/1134262482.db2.gz HHQKEPZOBBPSBK-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM O=C(NCC1CCOCC1)Nc1cc(C(F)(F)F)ccc1[S-] ZINC001186938190 1134272377 /nfs/dbraw/zinc/27/23/77/1134272377.db2.gz ZNVMPGZXBFWZAF-UHFFFAOYSA-N -1 0 334.363 3.542 20 0 EHADRM Cc1cnc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)c(Cl)c1 ZINC001187185409 1134307484 /nfs/dbraw/zinc/30/74/84/1134307484.db2.gz VYDPRMNHVFULKB-UHFFFAOYSA-N -1 0 342.873 3.785 20 0 EHADRM Cc1cc(F)cc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)c1O ZINC001187208410 1134314792 /nfs/dbraw/zinc/31/47/92/1134314792.db2.gz AFDBYMFWWRSQBG-UHFFFAOYSA-N -1 0 341.429 3.581 20 0 EHADRM O=S(=O)([N-]c1ccc2ccncc2c1)c1cc2c(s1)CCCC2 ZINC001187209510 1134315033 /nfs/dbraw/zinc/31/50/33/1134315033.db2.gz OLXJLAZWNPDOQV-UHFFFAOYSA-N -1 0 344.461 3.976 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)cc1 ZINC001187210750 1134316011 /nfs/dbraw/zinc/31/60/11/1134316011.db2.gz ZHEIQNBNHHIVKX-UHFFFAOYSA-N -1 0 337.466 3.826 20 0 EHADRM CCOCCS(=O)(=O)[N-]c1ccc(C(C)C)cc1C(F)(F)F ZINC001187292492 1134321310 /nfs/dbraw/zinc/32/13/10/1134321310.db2.gz VZFCJXIFBUOAPF-UHFFFAOYSA-N -1 0 339.379 3.607 20 0 EHADRM Cc1oncc1S(=O)(=O)[N-]c1cccc(-c2ccccc2C)c1 ZINC001187377432 1134329811 /nfs/dbraw/zinc/32/98/11/1134329811.db2.gz ZGDIMHICFZSHTQ-UHFFFAOYSA-N -1 0 328.393 3.759 20 0 EHADRM O=C(NC[C@@H]1CCCC12CC2)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC001170128082 1134369400 /nfs/dbraw/zinc/36/94/00/1134369400.db2.gz AUHZKHNLFYHHAG-LBPRGKRZSA-N -1 0 345.830 3.541 20 0 EHADRM CSc1ccc(-c2cccc([N-]S(=O)(=O)c3c[nH]cn3)c2)cc1 ZINC001187769885 1134376446 /nfs/dbraw/zinc/37/64/46/1134376446.db2.gz YCBSPGLEDFVBDY-UHFFFAOYSA-N -1 0 345.449 3.599 20 0 EHADRM O=S(=O)([N-]c1ccccc1Cc1ccccc1)c1nccs1 ZINC001187894262 1134393777 /nfs/dbraw/zinc/39/37/77/1134393777.db2.gz GDOKGBCPVCXMIF-UHFFFAOYSA-N -1 0 330.434 3.535 20 0 EHADRM Cc1ccc(-c2ccc([N-]S(=O)(=O)c3nccs3)cc2)cc1 ZINC001187895253 1134393859 /nfs/dbraw/zinc/39/38/59/1134393859.db2.gz USZWKLADACZOOU-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM CC(C)c1cccc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)n1 ZINC001188041370 1134412594 /nfs/dbraw/zinc/41/25/94/1134412594.db2.gz KQSGYFACCUNOMV-UHFFFAOYSA-N -1 0 346.239 3.708 20 0 EHADRM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccoc2)cc1C(F)(F)F ZINC001188609744 1134482244 /nfs/dbraw/zinc/48/22/44/1134482244.db2.gz AMCUPTYWEMLUBY-UHFFFAOYSA-N -1 0 349.330 3.886 20 0 EHADRM CCCCOc1c(F)c(F)ccc1[N-]S(=O)(=O)c1ccoc1 ZINC001188615450 1134483262 /nfs/dbraw/zinc/48/32/62/1134483262.db2.gz NBQFJBUIHKHZFO-UHFFFAOYSA-N -1 0 331.340 3.538 20 0 EHADRM CC[C@@](C)([N-]S(=O)(=O)/C=C/c1cccc(Cl)c1)C(F)(F)F ZINC000775210375 1134525228 /nfs/dbraw/zinc/52/52/28/1134525228.db2.gz USOVVEJQLDEQMA-ABZNLYFFSA-N -1 0 341.782 3.961 20 0 EHADRM C[C@H](OC(=O)c1ccc([O-])c(Cl)c1)C(=O)c1ccc(F)cc1F ZINC000791291970 1134526310 /nfs/dbraw/zinc/52/63/10/1134526310.db2.gz YVBRLXUZTYSFGT-QMMMGPOBSA-N -1 0 340.709 3.752 20 0 EHADRM O=S(=O)(C=C([O-])c1cccc(Cl)c1)c1ccc(Cl)s1 ZINC001189042155 1134535805 /nfs/dbraw/zinc/53/58/05/1134535805.db2.gz QTYMZZPGTLRMBW-UHFFFAOYSA-N -1 0 335.233 3.712 20 0 EHADRM C[C@H](NC(=O)c1cc2sccc2c(O)c1)[C@@H](O)c1ccc(F)cc1 ZINC000791389244 1134542469 /nfs/dbraw/zinc/54/24/69/1134542469.db2.gz YPRMBUUYQDVULZ-DYZYQPBXSA-N -1 0 345.395 3.598 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)c(O)c1 ZINC001189390037 1134579144 /nfs/dbraw/zinc/57/91/44/1134579144.db2.gz QDUNKRPHLGBWTN-UHFFFAOYSA-N -1 0 331.368 3.794 20 0 EHADRM Cc1nn(-c2ccccc2)cc1NC(=O)c1c([O-])cccc1Cl ZINC000781374082 1134594872 /nfs/dbraw/zinc/59/48/72/1134594872.db2.gz OJJORYMUOCZEMZ-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)nc(Cl)c2)c1 ZINC001189586099 1134604408 /nfs/dbraw/zinc/60/44/08/1134604408.db2.gz HOLXTFDLPJLSDO-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CCOC(=O)CCCCCNC(=O)Nc1c([S-])cccc1Cl ZINC001189666099 1134613662 /nfs/dbraw/zinc/61/36/62/1134613662.db2.gz IHMAPGRBVKVMKR-UHFFFAOYSA-N -1 0 344.864 3.874 20 0 EHADRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000775297426 1134619605 /nfs/dbraw/zinc/61/96/05/1134619605.db2.gz PTXDULCIQOYIBH-UHFFFAOYSA-N -1 0 332.208 3.803 20 0 EHADRM O=S(=O)(c1ccccc1[O-])N1CC=C(c2cccc(Cl)c2)CC1 ZINC001189873588 1134633010 /nfs/dbraw/zinc/63/30/10/1134633010.db2.gz VHIPXWVGVPKPJP-UHFFFAOYSA-N -1 0 349.839 3.524 20 0 EHADRM COc1cc2c(cc1[N-]S(=O)(=O)CCCF)oc1ccccc12 ZINC001189915992 1134635304 /nfs/dbraw/zinc/63/53/04/1134635304.db2.gz RKJNSCWDEFGLQQ-UHFFFAOYSA-N -1 0 337.372 3.696 20 0 EHADRM O=C(Nc1ccc[nH]c1=S)c1cc(Br)ccc1[S-] ZINC001189952557 1134641490 /nfs/dbraw/zinc/64/14/90/1134641490.db2.gz ZGOVXORTSAQRHQ-UHFFFAOYSA-N -1 0 341.255 3.674 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-]C(=O)C[C@@H](C)CC(C)(C)C)c(F)c1 ZINC000792081117 1134652849 /nfs/dbraw/zinc/65/28/49/1134652849.db2.gz ULYWWBQUFDFRNQ-CYBMUJFWSA-N -1 0 343.464 3.543 20 0 EHADRM CN(C)c1cccc(CCC(=O)Nc2ccc3[n-]c(=S)oc3c2)c1 ZINC000792232253 1134669842 /nfs/dbraw/zinc/66/98/42/1134669842.db2.gz UBQDNQBBFGCSMS-UHFFFAOYSA-N -1 0 341.436 3.754 20 0 EHADRM COc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC001190216680 1134672048 /nfs/dbraw/zinc/67/20/48/1134672048.db2.gz ASPBQUKBDKZEMU-UHFFFAOYSA-N -1 0 345.342 3.823 20 0 EHADRM CC[C@H](C)C(=O)[N-]S(=O)(=O)[C@H](C)c1ccc(Cl)cc1Cl ZINC000772792641 1134683695 /nfs/dbraw/zinc/68/36/95/1134683695.db2.gz RLFUOCRMESOOID-DTWKUNHWSA-N -1 0 338.256 3.547 20 0 EHADRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)on1 ZINC001190349185 1134687217 /nfs/dbraw/zinc/68/72/17/1134687217.db2.gz HQHDZAVUBMVPGE-MRVPVSSYSA-N -1 0 348.346 3.796 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ncccc2C(C)=O)cc1 ZINC001190422980 1134697781 /nfs/dbraw/zinc/69/77/81/1134697781.db2.gz BFPWTEAKQNHMLT-UHFFFAOYSA-N -1 0 346.452 3.773 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1 ZINC001190423526 1134698410 /nfs/dbraw/zinc/69/84/10/1134698410.db2.gz IWOJFOOGCHKWCR-UHFFFAOYSA-N -1 0 339.848 3.618 20 0 EHADRM Cc1ccc(CCCO)c(NS(=O)(=O)c2ccc(C3CC3)cc2)c1 ZINC001190506801 1134707627 /nfs/dbraw/zinc/70/76/27/1134707627.db2.gz MMZDCMMTFXNWGF-UHFFFAOYSA-N -1 0 345.464 3.598 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2ccncc2)c1Oc1ccccc1 ZINC001190888447 1134763518 /nfs/dbraw/zinc/76/35/18/1134763518.db2.gz GQHOVLOXCZDYQX-UHFFFAOYSA-N -1 0 340.404 3.983 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1n[n-]c2ccccc2c1=O ZINC000792828096 1134797366 /nfs/dbraw/zinc/79/73/66/1134797366.db2.gz WNSJAMAOHQJHPY-JKIFEVAISA-N -1 0 347.418 3.742 20 0 EHADRM CCc1cccc(O)c1[N-]S(=O)(=O)c1cccc2cc(C)cnc21 ZINC001191195840 1134813798 /nfs/dbraw/zinc/81/37/98/1134813798.db2.gz APSHCHQVYCSRFQ-UHFFFAOYSA-N -1 0 342.420 3.612 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cn(C3CCC3)cn2)cc1 ZINC001191232893 1134832475 /nfs/dbraw/zinc/83/24/75/1134832475.db2.gz LISAPARVMMNRBR-UHFFFAOYSA-N -1 0 333.457 3.752 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cnc(F)c(F)c2)cc1 ZINC001191233337 1134832677 /nfs/dbraw/zinc/83/26/77/1134832677.db2.gz TUUGKSCTIQGYKD-UHFFFAOYSA-N -1 0 326.368 3.503 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1 ZINC001191233819 1134832877 /nfs/dbraw/zinc/83/28/77/1134832877.db2.gz STYVTOXKEUUOGF-UHFFFAOYSA-N -1 0 341.436 3.773 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cnc(Cl)c(C)c1 ZINC001191788056 1134923491 /nfs/dbraw/zinc/92/34/91/1134923491.db2.gz ZTOPGNRGQFFKOO-UHFFFAOYSA-N -1 0 340.832 3.551 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cnc(C2CC2)s1 ZINC001191788280 1134923725 /nfs/dbraw/zinc/92/37/25/1134923725.db2.gz PEZOVDQFZYHROA-UHFFFAOYSA-N -1 0 338.454 3.528 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(O)cc(Cl)c1 ZINC001191828558 1134932256 /nfs/dbraw/zinc/93/22/56/1134932256.db2.gz PJMOPVXWDOGAPY-UHFFFAOYSA-N -1 0 341.816 3.554 20 0 EHADRM COc1ccc2cc(S(=O)(=O)[N-]c3cc(C(C)C)no3)ccc2c1 ZINC001191936794 1134944789 /nfs/dbraw/zinc/94/47/89/1134944789.db2.gz NWUJIMSLJPGQBZ-UHFFFAOYSA-N -1 0 346.408 3.761 20 0 EHADRM O=C(Nc1c(Cl)ccc([O-])c1Cl)c1ccnc(-n2ccnc2)c1 ZINC001191965656 1134952929 /nfs/dbraw/zinc/95/29/29/1134952929.db2.gz UMQGQYHXMKGJQL-UHFFFAOYSA-N -1 0 349.177 3.532 20 0 EHADRM CC1CCC(OCC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)CC1 ZINC000793709683 1134982206 /nfs/dbraw/zinc/98/22/06/1134982206.db2.gz WYPSTRQSTLKOPP-UHFFFAOYSA-N -1 0 345.361 3.849 20 0 EHADRM COCc1cc(NC(=O)/C=C(/C)c2ccc(F)cc2)cc(C(=O)[O-])c1 ZINC000794001540 1135012432 /nfs/dbraw/zinc/01/24/32/1135012432.db2.gz ALXXKLHCGOWJHC-GHXNOFRVSA-N -1 0 343.354 3.712 20 0 EHADRM O=C(NCc1cc2cc(Cl)ccc2[nH]1)c1c(F)ccc(F)c1[O-] ZINC001192716663 1135051449 /nfs/dbraw/zinc/05/14/49/1135051449.db2.gz XOLUJKXXRPEKGO-UHFFFAOYSA-N -1 0 336.725 3.735 20 0 EHADRM O=C(Nc1ncccc1-c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC001192784469 1135054425 /nfs/dbraw/zinc/05/44/25/1135054425.db2.gz MLVLHOIINSQQJV-UHFFFAOYSA-N -1 0 326.302 3.985 20 0 EHADRM O=C(c1ccc(F)c(F)c1[O-])N1CCC[C@H]1c1ccc(F)cc1F ZINC001192806641 1135057553 /nfs/dbraw/zinc/05/75/53/1135057553.db2.gz GSZGHFCUKZKMNL-AWEZNQCLSA-N -1 0 339.288 3.926 20 0 EHADRM CCN(C(=O)c1ccc([O-])c(F)c1F)[C@@H](C)Cc1ccc(OC)cc1 ZINC001192826493 1135060339 /nfs/dbraw/zinc/06/03/39/1135060339.db2.gz AWSYOEHMLPWLCG-LBPRGKRZSA-N -1 0 349.377 3.772 20 0 EHADRM CCC[C@@H](C(=O)c1ccccc1)N(C)C(=O)c1ccc([O-])c(F)c1F ZINC001192840641 1135064063 /nfs/dbraw/zinc/06/40/63/1135064063.db2.gz VEQQJVUTKINFHK-AWEZNQCLSA-N -1 0 347.361 3.794 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cnccc2Cl)c2ccccc12 ZINC001192897684 1135069665 /nfs/dbraw/zinc/06/96/65/1135069665.db2.gz UACVTGIFEITLJU-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM O=S(=O)([N-]c1ccccc1-c1cccnc1)c1cnccc1Cl ZINC001192899885 1135070583 /nfs/dbraw/zinc/07/05/83/1135070583.db2.gz BIXIVLMTVCYOCD-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM O=C([N-]CC(F)(F)c1ccccc1)C(F)(F)c1c(F)cccc1F ZINC001129518337 1135088560 /nfs/dbraw/zinc/08/85/60/1135088560.db2.gz LOZILSZFBGHMAJ-UHFFFAOYSA-N -1 0 347.258 3.965 20 0 EHADRM Cc1cc(NC(=O)c2cc(Cl)nc(Cl)c2[O-])n(C2CCC2)n1 ZINC001193083694 1135097933 /nfs/dbraw/zinc/09/79/33/1135097933.db2.gz WBYQRUKRUSTOGL-UHFFFAOYSA-N -1 0 341.198 3.576 20 0 EHADRM CC(C)(CNC(=O)c1cc(Cl)nc(Cl)c1[O-])CC(F)(F)F ZINC001193100895 1135101872 /nfs/dbraw/zinc/10/18/72/1135101872.db2.gz OPKMBSVAQNAJRZ-UHFFFAOYSA-N -1 0 345.148 3.802 20 0 EHADRM O=C(NCc1nccc2ccccc21)c1cc(Cl)nc(Cl)c1[O-] ZINC001193093982 1135105787 /nfs/dbraw/zinc/10/57/87/1135105787.db2.gz OYNZQHJPUIMRKS-UHFFFAOYSA-N -1 0 348.189 3.572 20 0 EHADRM O=S(=O)(Oc1c(Cl)ccc2ccccc21)c1cn[n-]c1Cl ZINC001193629468 1135162326 /nfs/dbraw/zinc/16/23/26/1135162326.db2.gz WZJXRAKQNALRLK-UHFFFAOYSA-N -1 0 343.191 3.637 20 0 EHADRM O=C(NCc1nc(-c2ccccc2)cs1)c1ccc(F)c([O-])c1F ZINC001193794126 1135181337 /nfs/dbraw/zinc/18/13/37/1135181337.db2.gz YNLCKPQOFANDCN-UHFFFAOYSA-N -1 0 346.358 3.724 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2ncc(O)cc2Cl)c2ccccc12 ZINC001193843473 1135185503 /nfs/dbraw/zinc/18/55/03/1135185503.db2.gz YPJMMNXHEZNMEK-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM Cc1ccc(NS(=O)(=O)c2ccc(C)c3ccccc32)cc1CO ZINC001193862793 1135197635 /nfs/dbraw/zinc/19/76/35/1135197635.db2.gz OTHVCSUAFZVFAX-UHFFFAOYSA-N -1 0 341.432 3.750 20 0 EHADRM Cc1ncc([N-]S(=O)(=O)c2ccc3c(Cl)cccc3c2)nc1C ZINC001194216192 1135244982 /nfs/dbraw/zinc/24/49/82/1135244982.db2.gz BSLJXLXCXLZYJB-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM COc1ccnc([N-]S(=O)(=O)c2ccc3c(Cl)cccc3c2)c1 ZINC001194215506 1135245519 /nfs/dbraw/zinc/24/55/19/1135245519.db2.gz AEVAKUWCFKGEJW-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM Cc1nnc(-c2ccc(C(=O)Nc3cc(Cl)c([O-])cc3F)cc2)o1 ZINC000805256194 1135253574 /nfs/dbraw/zinc/25/35/74/1135253574.db2.gz AKIQBWRTQCDMJT-UHFFFAOYSA-N -1 0 347.733 3.795 20 0 EHADRM O=S(=O)(Nc1cccc(CO)c1)c1cccc2c(Cl)cccc21 ZINC001194431144 1135272325 /nfs/dbraw/zinc/27/23/25/1135272325.db2.gz FICQANUGPRZRIW-UHFFFAOYSA-N -1 0 347.823 3.786 20 0 EHADRM C[C@@H](OC(=O)c1cc(F)c([O-])c(F)c1)c1nccn1-c1ccccc1 ZINC000805481505 1135276607 /nfs/dbraw/zinc/27/66/07/1135276607.db2.gz PBKYSNWIRJPJQM-LLVKDONJSA-N -1 0 344.317 3.774 20 0 EHADRM CC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1c(C)cccc1C ZINC001194642181 1135294997 /nfs/dbraw/zinc/29/49/97/1135294997.db2.gz AWAJMMLJCCWQAI-UHFFFAOYSA-N -1 0 337.828 3.960 20 0 EHADRM COc1ncccc1S(=O)(=O)[N-]c1ccc(-c2ccsc2)cc1 ZINC001194719846 1135312094 /nfs/dbraw/zinc/31/20/94/1135312094.db2.gz ISUUZZBZVCOCCH-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM CCc1cccc(O)c1NS(=O)(=O)c1c(C)cc(OC)c(C)c1C ZINC001194866862 1135332427 /nfs/dbraw/zinc/33/24/27/1135332427.db2.gz QEQPASMUCWZTLL-UHFFFAOYSA-N -1 0 349.452 3.689 20 0 EHADRM Cc1ccc2ccccc2c1[N-]S(=O)(=O)c1cccc2nccnc21 ZINC001194931277 1135343111 /nfs/dbraw/zinc/34/31/11/1135343111.db2.gz AHCFVWFTXZGBST-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc(Cl)n1 ZINC001195120394 1135372380 /nfs/dbraw/zinc/37/23/80/1135372380.db2.gz MRZZKHMCVFWAFQ-UHFFFAOYSA-N -1 0 340.832 3.668 20 0 EHADRM COc1ccc(C(C)=O)c([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1 ZINC001195159940 1135384590 /nfs/dbraw/zinc/38/45/90/1135384590.db2.gz XZGOFVSXTIMRRU-UHFFFAOYSA-N -1 0 347.436 3.822 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cc(Cl)ncc1C ZINC001195276875 1135403292 /nfs/dbraw/zinc/40/32/92/1135403292.db2.gz YNISGOGGBVFJSC-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM Cc1cc(Cl)c(NC(=O)c2c([O-])c(F)c(F)c(F)c2F)cc1O ZINC001195302466 1135409976 /nfs/dbraw/zinc/40/99/76/1135409976.db2.gz HGLZLCVCDDFLCB-UHFFFAOYSA-N -1 0 349.667 3.868 20 0 EHADRM CC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC001195310305 1135411750 /nfs/dbraw/zinc/41/17/50/1135411750.db2.gz XVWZVUUXJVLFOO-UHFFFAOYSA-N -1 0 341.791 3.791 20 0 EHADRM CCOC(=O)c1csc(/C=C/c2cc(C(=O)[O-])c(C)cc2C)n1 ZINC000806561999 1135460038 /nfs/dbraw/zinc/46/00/38/1135460038.db2.gz AHIPVBKYBGRXMZ-AATRIKPKSA-N -1 0 331.393 3.805 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000775669628 1135466477 /nfs/dbraw/zinc/46/64/77/1135466477.db2.gz MONVGCOPJMDQDF-HNNXBMFYSA-N -1 0 345.826 3.867 20 0 EHADRM CCOC1CC2(C[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000867138709 1135483658 /nfs/dbraw/zinc/48/36/58/1135483658.db2.gz RSIUPPHOMKZJDS-VOZQYIJBSA-N -1 0 330.211 3.843 20 0 EHADRM [O-]c1cc(F)cc(F)c1NC(=S)NCc1cccc(Cl)c1 ZINC001195975391 1135495602 /nfs/dbraw/zinc/49/56/02/1135495602.db2.gz HSGWQETWOQIINV-UHFFFAOYSA-N -1 0 328.771 3.810 20 0 EHADRM COCCN(CCCc1ccccc1)C(=O)c1cccc(Cl)c1[O-] ZINC000775677145 1135503075 /nfs/dbraw/zinc/50/30/75/1135503075.db2.gz HUESLOWOYZHUFI-UHFFFAOYSA-N -1 0 347.842 3.767 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N(Cc1ccco1)CC(F)(F)F ZINC000775686113 1135513976 /nfs/dbraw/zinc/51/39/76/1135513976.db2.gz PGGPJYLHEYBWLJ-UHFFFAOYSA-N -1 0 333.693 3.843 20 0 EHADRM CC[C@@H](NC(=O)c1cccc(Cl)c1[O-])c1nc2ccccc2[nH]1 ZINC000775700061 1135532490 /nfs/dbraw/zinc/53/24/90/1135532490.db2.gz FBAVQWBUUWCVFI-GFCCVEGCSA-N -1 0 329.787 3.803 20 0 EHADRM COc1cccc2c([N-]S(=O)(=O)c3ccc(Cl)cn3)cccc12 ZINC001196250523 1135535478 /nfs/dbraw/zinc/53/54/78/1135535478.db2.gz FPEABZZQDWUEHS-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)cn2)cc1Cl ZINC001196244802 1135539893 /nfs/dbraw/zinc/53/98/93/1135539893.db2.gz DVOPPOXHXXSDMS-UHFFFAOYSA-N -1 0 347.223 3.588 20 0 EHADRM Cc1cc(Cl)cc(C)c1[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC001196246271 1135540470 /nfs/dbraw/zinc/54/04/70/1135540470.db2.gz NAIOWXPUUUCDBF-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc3cccc(C)c3n2)c(F)c1 ZINC001196347366 1135549292 /nfs/dbraw/zinc/54/92/92/1135549292.db2.gz VWJJRNRUMUUOJE-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccccc3)n2)c(F)c1 ZINC001196353406 1135550214 /nfs/dbraw/zinc/55/02/14/1135550214.db2.gz QLMLFABYOSHESY-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM O=C(c1cc(Cl)ncc1[O-])N1CCC2(C=Cc3ccccc32)CC1 ZINC001196389027 1135554032 /nfs/dbraw/zinc/55/40/32/1135554032.db2.gz HGFVXDHTSUWSKZ-UHFFFAOYSA-N -1 0 340.810 3.641 20 0 EHADRM CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1cccc(Cl)c1[O-] ZINC000775723624 1135578370 /nfs/dbraw/zinc/57/83/70/1135578370.db2.gz CIXOBOKDXCENNR-LLVKDONJSA-N -1 0 343.814 3.906 20 0 EHADRM COc1ccc2[nH]cc(CCNC(=O)c3cccc(Cl)c3[O-])c2c1 ZINC000775740411 1135599559 /nfs/dbraw/zinc/59/95/59/1135599559.db2.gz KYLKYZXJRNSMEZ-UHFFFAOYSA-N -1 0 344.798 3.508 20 0 EHADRM COc1ccc(F)c(S(=O)(=O)[N-]c2cccc(C(F)F)c2)c1 ZINC001196758489 1135601793 /nfs/dbraw/zinc/60/17/93/1135601793.db2.gz XQQMIQSHNKSXLU-UHFFFAOYSA-N -1 0 331.315 3.573 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCSC[C@@H]1c1ccccc1 ZINC000775746318 1135620457 /nfs/dbraw/zinc/62/04/57/1135620457.db2.gz IRZULPADPVYPBJ-OAHLLOKOSA-N -1 0 333.840 3.976 20 0 EHADRM COc1ccc([C@H](C)NC(=S)Nc2ccc(C(=O)[O-])cc2)c(F)c1 ZINC001197130467 1135648093 /nfs/dbraw/zinc/64/80/93/1135648093.db2.gz MPCIEXDIGYQLSU-JTQLQIEISA-N -1 0 348.399 3.580 20 0 EHADRM Cc1nc2cc(NC(=S)Nc3ccc(C(=O)[O-])cc3)ccc2o1 ZINC001197113879 1135651492 /nfs/dbraw/zinc/65/14/92/1135651492.db2.gz YCJVBQXQYXUSIY-UHFFFAOYSA-N -1 0 327.365 3.643 20 0 EHADRM CC(=O)c1ccc(C)cc1NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197114480 1135651510 /nfs/dbraw/zinc/65/15/10/1135651510.db2.gz CSBNFXZVBLGBTC-UHFFFAOYSA-N -1 0 328.393 3.705 20 0 EHADRM Cc1cc(F)cc(C)c1CNC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197127681 1135652581 /nfs/dbraw/zinc/65/25/81/1135652581.db2.gz YWKWXJRPAXGAEH-UHFFFAOYSA-N -1 0 332.400 3.627 20 0 EHADRM COc1ccccc1C[C@@H](C)N(C)C(=O)c1cccc(Cl)c1[O-] ZINC000775760808 1135656445 /nfs/dbraw/zinc/65/64/45/1135656445.db2.gz XQSYVFALVHMZFB-GFCCVEGCSA-N -1 0 333.815 3.757 20 0 EHADRM CC(C)(C)OC(=O)CCCCCNC(=O)c1cccc(Cl)c1[O-] ZINC000775762059 1135656766 /nfs/dbraw/zinc/65/67/66/1135656766.db2.gz MWPQKBQOJYPTBV-UHFFFAOYSA-N -1 0 341.835 3.678 20 0 EHADRM O=S(=O)(Cc1c(F)cccc1F)[N-]c1c(O)ccc2ccccc21 ZINC001197600823 1135712991 /nfs/dbraw/zinc/71/29/91/1135712991.db2.gz RMNLQRUYWGYTRM-UHFFFAOYSA-N -1 0 349.358 3.766 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2ccc(-c3cccs3)cc2)c1 ZINC001197998142 1135760033 /nfs/dbraw/zinc/76/00/33/1135760033.db2.gz XGMMVJFGJIFNOC-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2cc(Cl)c(C)c(Cl)c2O)c1 ZINC001198005381 1135760941 /nfs/dbraw/zinc/76/09/41/1135760941.db2.gz GLDSXSSGHVTMIO-UHFFFAOYSA-N -1 0 347.223 3.512 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC000809066022 1135771080 /nfs/dbraw/zinc/77/10/80/1135771080.db2.gz YIEKMZODNHYXRV-OKZBNKHCSA-N -1 0 349.496 3.548 20 0 EHADRM O=S(=O)([N-]c1cccc(-c2ccccn2)c1)c1cccc(Cl)n1 ZINC001198234526 1135789930 /nfs/dbraw/zinc/78/99/30/1135789930.db2.gz NIZRICJTIJOVTO-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccncc2)cc1)c1cccc(Cl)n1 ZINC001198234131 1135789945 /nfs/dbraw/zinc/78/99/45/1135789945.db2.gz IYNVVWMTEDXZAL-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM CC(C)(C)Oc1cccc([N-]S(=O)(=O)c2cccc(Cl)n2)c1 ZINC001198242613 1135791219 /nfs/dbraw/zinc/79/12/19/1135791219.db2.gz STHSTRVCHKQRRU-UHFFFAOYSA-N -1 0 340.832 3.713 20 0 EHADRM O=S(=O)([N-]c1nc(C(F)(F)F)cs1)c1ccc2occc2c1 ZINC001198818369 1135859448 /nfs/dbraw/zinc/85/94/48/1135859448.db2.gz NYCIQLHPMXIXTK-UHFFFAOYSA-N -1 0 348.327 3.709 20 0 EHADRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198861883 1135862127 /nfs/dbraw/zinc/86/21/27/1135862127.db2.gz MPCXEMNRCGBUSP-UHFFFAOYSA-N -1 0 337.784 3.896 20 0 EHADRM O=C([O-])c1c(F)cc(Nc2ccnn2Cc2cccc(F)c2)cc1F ZINC001203318697 1135876940 /nfs/dbraw/zinc/87/69/40/1135876940.db2.gz HMSFNUZUMFSFFF-UHFFFAOYSA-N -1 0 347.296 3.791 20 0 EHADRM O=C([N-][C@@H]1CCCOc2cc(Cl)ccc21)C(F)(F)C(F)F ZINC000776002018 1135916672 /nfs/dbraw/zinc/91/66/72/1135916672.db2.gz QWJPDSSCZSWUMU-SECBINFHSA-N -1 0 325.689 3.570 20 0 EHADRM CCOC(=O)c1ccc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)cc1 ZINC000810559077 1135972325 /nfs/dbraw/zinc/97/23/25/1135972325.db2.gz KPNHMFVGZXPAHV-UHFFFAOYSA-N -1 0 342.376 3.546 20 0 EHADRM CC(C)(NS(=O)(=O)c1cc(Cl)c(Cl)cc1F)C1CC1 ZINC001201277695 1136003107 /nfs/dbraw/zinc/00/31/07/1136003107.db2.gz JSXJCFMQSJTVRC-UHFFFAOYSA-N -1 0 326.220 3.599 20 0 EHADRM CC(C)Oc1cncc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)c1 ZINC001201552294 1136036480 /nfs/dbraw/zinc/03/64/80/1136036480.db2.gz AHMWNRSLVVWYDC-UHFFFAOYSA-N -1 0 342.804 3.513 20 0 EHADRM Cc1cnc([N-]S(=O)(=O)c2cccc(Oc3ccccc3C)c2)o1 ZINC001201572029 1136042511 /nfs/dbraw/zinc/04/25/11/1136042511.db2.gz ZNEYYNUTAGNUSW-UHFFFAOYSA-N -1 0 344.392 3.885 20 0 EHADRM Cc1ccccc1Oc1cccc(S(=O)(=O)NC2=CC=C[CH]2)c1 ZINC001201591196 1136044154 /nfs/dbraw/zinc/04/41/54/1136044154.db2.gz NVTVRMMALOZMDB-UHFFFAOYSA-N -1 0 326.397 3.724 20 0 EHADRM Cc1cc(S(=O)(=O)[O-])c(Nc2ccc(C3CC3)nc2)cc1Cl ZINC001201714963 1136055349 /nfs/dbraw/zinc/05/53/49/1136055349.db2.gz WCYMMYNOVVQAEQ-UHFFFAOYSA-N -1 0 338.816 3.911 20 0 EHADRM C[C@H](OC(=O)c1c(F)cc([O-])cc1F)c1ncc(C(C)(C)C)o1 ZINC000747701668 1136078289 /nfs/dbraw/zinc/07/82/89/1136078289.db2.gz BZWFEGXYJVELLX-QMMMGPOBSA-N -1 0 325.311 3.874 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N[C@@H](c2cccs2)C2CC2)c1 ZINC000811813884 1136144510 /nfs/dbraw/zinc/14/45/10/1136144510.db2.gz KSQFIQBNXDGFCT-CQSZACIVSA-N -1 0 335.812 3.981 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)Nc2ccc3c(c2)CCCO3)c1 ZINC000811820197 1136145442 /nfs/dbraw/zinc/14/54/42/1136145442.db2.gz RDPWGKFUHQGENZ-UHFFFAOYSA-N -1 0 331.755 3.616 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N2CCCc3ccccc3C2)c1 ZINC000811821568 1136145655 /nfs/dbraw/zinc/14/56/55/1136145655.db2.gz JKFGRJHNRQZCJA-UHFFFAOYSA-N -1 0 329.783 3.627 20 0 EHADRM O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1cccc(C(F)(F)F)c1[O-] ZINC001545683959 1136163852 /nfs/dbraw/zinc/16/38/52/1136163852.db2.gz FXPSZHASDHCAGX-LZWOXQAQSA-N -1 0 347.336 3.727 20 0 EHADRM CCOC(=O)/C(=C/c1cccc(C(=O)[O-])c1Cl)c1ccnc(F)c1 ZINC000812246834 1136188883 /nfs/dbraw/zinc/18/88/83/1136188883.db2.gz AZJQWDYWNPKWMX-MDWZMJQESA-N -1 0 349.745 3.676 20 0 EHADRM O=C(Cn1c2ccccc2nc1C1CCCCC1)[N-]OC/C=C/Cl ZINC000812403500 1136202134 /nfs/dbraw/zinc/20/21/34/1136202134.db2.gz OELRAOOSQUMMLE-IZZDOVSWSA-N -1 0 347.846 3.884 20 0 EHADRM CON(Cc1ccccc1Cl)C(=O)c1ccc([O-])c(Cl)c1 ZINC000812428067 1136207074 /nfs/dbraw/zinc/20/70/74/1136207074.db2.gz DIKJMWHZYSFKNM-UHFFFAOYSA-N -1 0 326.179 3.903 20 0 EHADRM C[C@H](Sc1nc2ccccc2s1)C(=O)[N-]OC/C=C/Cl ZINC000812408015 1136209287 /nfs/dbraw/zinc/20/92/87/1136209287.db2.gz LVIAPWLJJNJOPO-IYNCYZAOSA-N -1 0 328.846 3.577 20 0 EHADRM C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)[N-]OC/C=C/Cl ZINC000812409659 1136209659 /nfs/dbraw/zinc/20/96/59/1136209659.db2.gz VJHPBBYXWLWYIB-CLUXPMKYSA-N -1 0 331.799 3.921 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cc(Cl)cs1 ZINC000814016962 1136386640 /nfs/dbraw/zinc/38/66/40/1136386640.db2.gz VFAKYKNFPVILGD-CYBMUJFWSA-N -1 0 343.857 3.612 20 0 EHADRM CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)[C@@H](CC)c1ccccc1 ZINC000814019389 1136387003 /nfs/dbraw/zinc/38/70/03/1136387003.db2.gz JBXLXLYLIXSAAD-HOCLYGCPSA-N -1 0 325.474 3.800 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@H](CC)C(C)C ZINC000814022935 1136387027 /nfs/dbraw/zinc/38/70/27/1136387027.db2.gz SQWSALQICHJXKU-GOEBONIOSA-N -1 0 325.474 3.656 20 0 EHADRM CC(C)Oc1cccc([C@H](C)NC(=O)c2ccc(/C=C\C(=O)[O-])o2)c1 ZINC000851593672 1136394852 /nfs/dbraw/zinc/39/48/52/1136394852.db2.gz AIFKUMZRIPLNCE-KJJQSCHISA-N -1 0 343.379 3.656 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851593682 1136395131 /nfs/dbraw/zinc/39/51/31/1136395131.db2.gz AODYONLBBYJBBK-WONIAPNHSA-N -1 0 341.407 3.864 20 0 EHADRM CC1(C)CCC[C@@H]1[C@@H]1CCN(C(=O)c2ccc(/C=C\C(=O)[O-])o2)C1 ZINC000851609348 1136396100 /nfs/dbraw/zinc/39/61/00/1136396100.db2.gz UFCDLCVHPAFSJY-VEXXYJEVSA-N -1 0 331.412 3.666 20 0 EHADRM C[C@H]1CN(C(=O)Cc2ccc(C3CCCCC3)cc2)CC[C@@H]1C(=O)[O-] ZINC000851605689 1136396441 /nfs/dbraw/zinc/39/64/41/1136396441.db2.gz MDGKRMZGMKMHMA-KXBFYZLASA-N -1 0 343.467 3.846 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)C2CC3(CC3(F)F)C2)CC1 ZINC000851694937 1136399646 /nfs/dbraw/zinc/39/96/46/1136399646.db2.gz UGKFEUBVMGTCQG-UHFFFAOYSA-N -1 0 349.377 3.526 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)c2ccc(CF)cc2)CC1 ZINC000851694628 1136399808 /nfs/dbraw/zinc/39/98/08/1136399808.db2.gz LYQXYGZCVPAMME-UHFFFAOYSA-N -1 0 341.382 3.874 20 0 EHADRM O=C([O-])C[C@@H](CNC(=O)c1cccc(Nc2ccccc2)c1)C1CC1 ZINC000851705758 1136400637 /nfs/dbraw/zinc/40/06/37/1136400637.db2.gz QTRXQADNYNBVNT-INIZCTEOSA-N -1 0 338.407 3.661 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1c1nccc2ccc(Br)cc21 ZINC000852911932 1136493195 /nfs/dbraw/zinc/49/31/95/1136493195.db2.gz JDNNDHQGODZXLO-PWSUYJOCSA-N -1 0 349.228 3.687 20 0 EHADRM Nc1c(Cl)cc(NC(=O)C2(C(=O)[O-])CCCCCC2)cc1Cl ZINC000852943648 1136493792 /nfs/dbraw/zinc/49/37/92/1136493792.db2.gz XTPVOQGEJGHKBM-UHFFFAOYSA-N -1 0 345.226 3.939 20 0 EHADRM Cc1ccc(CCC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2F)cc1 ZINC000776655581 1136525882 /nfs/dbraw/zinc/52/58/82/1136525882.db2.gz XQFDMVFBBIRQES-KRWDZBQOSA-N -1 0 347.361 3.538 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@H](C)Cc1ccc(F)cc1 ZINC000776673955 1136528895 /nfs/dbraw/zinc/52/88/95/1136528895.db2.gz WTPKWVYHNQTRPV-KDOFPFPSSA-N -1 0 343.398 3.645 20 0 EHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCSC12CCCCC2 ZINC000854385974 1136612460 /nfs/dbraw/zinc/61/24/60/1136612460.db2.gz LCXACZZKNMJPJG-UHFFFAOYSA-N -1 0 334.466 3.966 20 0 EHADRM C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(NCOc2ccccc2)cc1 ZINC001170811404 1136670637 /nfs/dbraw/zinc/67/06/37/1136670637.db2.gz AHCLWKVCCUBMOB-LBPRGKRZSA-N -1 0 338.329 3.875 20 0 EHADRM O=C([O-])Cc1c[nH]c2cc(Cl)c(NCOc3ccccc3)cc12 ZINC001170811414 1136670767 /nfs/dbraw/zinc/67/07/67/1136670767.db2.gz AMYRSNCCNBDQQL-UHFFFAOYSA-N -1 0 330.771 3.897 20 0 EHADRM CCC(CC)CC(=O)[N-]S(=O)(=O)[C@@H](c1ccccc1)C(C)C ZINC000816108024 1136673777 /nfs/dbraw/zinc/67/37/77/1136673777.db2.gz WESPWCCNANUVQX-QGZVFWFLSA-N -1 0 325.474 3.656 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)/C=C/c1ccsc1 ZINC000816113400 1136678173 /nfs/dbraw/zinc/67/81/73/1136678173.db2.gz RSQQPLSSMAHUIL-KBOKABMXSA-N -1 0 349.477 3.605 20 0 EHADRM COc1ccc([C@H](NC(=O)c2cc(F)cc(F)c2[O-])C2CC2)cc1 ZINC001135403749 1136681727 /nfs/dbraw/zinc/68/17/27/1136681727.db2.gz VINHLVVNGIUVDB-MRXNPFEDSA-N -1 0 333.334 3.560 20 0 EHADRM CN(Cc1ccccc1)C(=O)c1cc(Br)cc(F)c1[O-] ZINC001135479490 1136697686 /nfs/dbraw/zinc/69/76/86/1136697686.db2.gz NTIDLQGHHYGKEG-UHFFFAOYSA-N -1 0 338.176 3.566 20 0 EHADRM CCN(CCc1ccccc1)C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000816892064 1136761907 /nfs/dbraw/zinc/76/19/07/1136761907.db2.gz ODKQXXUAJLPZDC-UHFFFAOYSA-N -1 0 326.421 3.821 20 0 EHADRM Cc1cc(OCC(=O)[N-]OCc2ccc(F)cc2)cc(C)c1Cl ZINC000857485554 1136876337 /nfs/dbraw/zinc/87/63/37/1136876337.db2.gz WIOMLGOGRGYBOP-UHFFFAOYSA-N -1 0 337.778 3.723 20 0 EHADRM Cc1noc(C(F)F)c1C(=O)[N-]c1c2nsnc2ccc1Cl ZINC000776965064 1136907198 /nfs/dbraw/zinc/90/71/98/1136907198.db2.gz HXUHARLNLFJKDO-UHFFFAOYSA-N -1 0 344.730 3.831 20 0 EHADRM O=C(Nc1ccccc1-n1ccnc1)c1c([O-])cnc2c(F)cccc21 ZINC001136185741 1136911388 /nfs/dbraw/zinc/91/13/88/1136911388.db2.gz LZDKEIBTWPFVCY-UHFFFAOYSA-N -1 0 348.337 3.518 20 0 EHADRM C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000820242861 1136983471 /nfs/dbraw/zinc/98/34/71/1136983471.db2.gz ZFWTVVHCODOYJT-QWHCGFSZSA-N -1 0 327.380 3.725 20 0 EHADRM O=C([N-]Cc1ccc(-c2nc(C3CCCCC3)no2)o1)C(F)(F)F ZINC000858654843 1136984734 /nfs/dbraw/zinc/98/47/34/1136984734.db2.gz UAXOPRWGKQWSLN-UHFFFAOYSA-N -1 0 343.305 3.556 20 0 EHADRM O=C(NCC1CCCCCCC1)c1nn(-c2cccc(F)c2)cc1[O-] ZINC001136330716 1136988499 /nfs/dbraw/zinc/98/84/99/1136988499.db2.gz VMPXHVWQGSZEGE-UHFFFAOYSA-N -1 0 345.418 3.807 20 0 EHADRM C[C@H]1CCCCN1C(=O)c1ccc(NCc2cc(C(=O)[O-])co2)cc1 ZINC000859799672 1137031253 /nfs/dbraw/zinc/03/12/53/1137031253.db2.gz SIZAWYUKWXZDLY-ZDUSSCGKSA-N -1 0 342.395 3.605 20 0 EHADRM O=C(c1cccc(F)c1[O-])N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000821875903 1137041340 /nfs/dbraw/zinc/04/13/40/1137041340.db2.gz GJZSPLUTZGDMJQ-INIZCTEOSA-N -1 0 339.370 3.775 20 0 EHADRM C[C@H](CC(F)(F)F)NC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000821989389 1137045196 /nfs/dbraw/zinc/04/51/96/1137045196.db2.gz ILEMDAOPYIQTCJ-SECBINFHSA-N -1 0 341.285 3.535 20 0 EHADRM CCCCn1ncc([N-]S(=O)(=O)c2cccc3c2CCCC3)c1C ZINC000772858549 1137049953 /nfs/dbraw/zinc/04/99/53/1137049953.db2.gz UISDWYQZDNALSY-UHFFFAOYSA-N -1 0 347.484 3.671 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)N(CC3CC3)C3CCC3)c([O-])c2)o1 ZINC000822613188 1137066431 /nfs/dbraw/zinc/06/64/31/1137066431.db2.gz XJKRYXWSHNJDEJ-UHFFFAOYSA-N -1 0 339.391 3.869 20 0 EHADRM COc1ccccc1CO[N-]C(=O)Cc1csc(C2CCCC2)n1 ZINC000822679422 1137069876 /nfs/dbraw/zinc/06/98/76/1137069876.db2.gz IJPAJQRGHIBQRT-UHFFFAOYSA-N -1 0 346.452 3.600 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@H](C)c1ccco1 ZINC000860789793 1137078407 /nfs/dbraw/zinc/07/84/07/1137078407.db2.gz KEVKMVRJICGDHV-KBXCAEBGSA-N -1 0 349.452 3.617 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)N3CCC(C4CC4)CC3)c([O-])c2)o1 ZINC000823094886 1137085048 /nfs/dbraw/zinc/08/50/48/1137085048.db2.gz GQXZIKJMAAKHTE-UHFFFAOYSA-N -1 0 339.391 3.727 20 0 EHADRM C[C@@H]1CCC(C)(C)N1C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000823472968 1137101779 /nfs/dbraw/zinc/10/17/79/1137101779.db2.gz FXCZLUQJFUQVDC-GFCCVEGCSA-N -1 0 327.380 3.868 20 0 EHADRM Cc1ccccc1-n1nccc1NC(=O)c1cc(Cl)ccc1[O-] ZINC001136774006 1137112552 /nfs/dbraw/zinc/11/25/52/1137112552.db2.gz PLSFEKMVPIRVHZ-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM CC(C)S(=O)(=O)[N-][C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001252571032 1137147745 /nfs/dbraw/zinc/14/77/45/1137147745.db2.gz WTYJFSZPROFXHJ-SNVBAGLBSA-N -1 0 349.296 3.637 20 0 EHADRM COc1cc(OC)c2c(c1)N(C(=O)c1cccc(Cl)c1[O-])CCC2 ZINC000862776389 1137156819 /nfs/dbraw/zinc/15/68/19/1137156819.db2.gz XOAJURYXIXMRDJ-UHFFFAOYSA-N -1 0 347.798 3.656 20 0 EHADRM Cc1ccc(C(C)(C)CNC(=O)c2ccc3oc(=S)[n-]c3c2)nc1 ZINC000862783620 1137157333 /nfs/dbraw/zinc/15/73/33/1137157333.db2.gz SIDCZUYVOCTFPG-UHFFFAOYSA-N -1 0 341.436 3.528 20 0 EHADRM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000844155165 1137200099 /nfs/dbraw/zinc/20/00/99/1137200099.db2.gz LUGHRPSRJQFOIF-ZBINZKHDSA-N -1 0 339.382 3.669 20 0 EHADRM Cc1c(C(=O)[O-])sc2ncnc(NC[C@@]3(C)CC3(Cl)Cl)c12 ZINC000844215866 1137204590 /nfs/dbraw/zinc/20/45/90/1137204590.db2.gz JYZISXCXBLJTJW-GFCCVEGCSA-N -1 0 346.239 3.694 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000864099185 1137214883 /nfs/dbraw/zinc/21/48/83/1137214883.db2.gz CZCJSNFVJNEFIP-PXNSSMCTSA-N -1 0 343.467 3.605 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)/C=C/c1cc(C(=O)[O-])co1)C1CC1 ZINC000864108555 1137215596 /nfs/dbraw/zinc/21/55/96/1137215596.db2.gz DGVUSAZDZTWIHQ-GFOMBABLSA-N -1 0 325.364 3.567 20 0 EHADRM Cc1cc(C(=O)N[C@@H](C)c2ccccc2C(F)(F)F)oc1C(=O)[O-] ZINC000864113660 1137215745 /nfs/dbraw/zinc/21/57/45/1137215745.db2.gz VRTFRDDRZUOLAU-VIFPVBQESA-N -1 0 341.285 3.796 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)/C=C\c2cc(C(=O)[O-])co2)c1C ZINC000864112373 1137215840 /nfs/dbraw/zinc/21/58/40/1137215840.db2.gz WSXXGLZDVBPUBD-GIFJBRJJSA-N -1 0 339.391 3.972 20 0 EHADRM CCO[C@H](C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)C1CCCC1 ZINC000864122723 1137216180 /nfs/dbraw/zinc/21/61/80/1137216180.db2.gz UUKLMCOHNDVIKO-INIZCTEOSA-N -1 0 333.428 3.583 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000864129861 1137216497 /nfs/dbraw/zinc/21/64/97/1137216497.db2.gz IYGSIEZLQSPRIT-NRFANRHFSA-N -1 0 345.483 3.995 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000864132694 1137216627 /nfs/dbraw/zinc/21/66/27/1137216627.db2.gz VKYZOEHLPBHQCV-KZNAEPCWSA-N -1 0 329.440 3.816 20 0 EHADRM C[C@H](CCc1ccc(F)cc1)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000864132420 1137216789 /nfs/dbraw/zinc/21/67/89/1137216789.db2.gz SMQZPORJXZLNEG-RHSMWYFYSA-N -1 0 335.419 3.640 20 0 EHADRM Cc1cc2c(CC(=O)N3C[C@@H]4CCC[C@H]4[C@H]3C(=O)[O-])csc2s1 ZINC000864139078 1137216812 /nfs/dbraw/zinc/21/68/12/1137216812.db2.gz CVMFNEWIYHCMTO-NVBFEUDRSA-N -1 0 349.477 3.525 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000864137203 1137216954 /nfs/dbraw/zinc/21/69/54/1137216954.db2.gz PKVJNXAJVMXXSL-WBIIUDBISA-N -1 0 343.354 3.665 20 0 EHADRM C[C@H]1CN(C(=O)c2cc3c(ccc4ccccc34)o2)CC[C@@H]1C(=O)[O-] ZINC000864141125 1137216993 /nfs/dbraw/zinc/21/69/93/1137216993.db2.gz GWOJGSXQQBGFLE-JSGCOSHPSA-N -1 0 337.375 3.769 20 0 EHADRM C[C@@H](NC(=O)Cc1coc2c1ccc(Cl)c2Cl)[C@@H](C)C(=O)[O-] ZINC000864138731 1137217000 /nfs/dbraw/zinc/21/70/00/1137217000.db2.gz AMMVDVLVKRURRQ-HTQZYQBOSA-N -1 0 344.194 3.508 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000864147800 1137217115 /nfs/dbraw/zinc/21/71/15/1137217115.db2.gz QBJOKAJIROEUOA-RDTXWAMCSA-N -1 0 339.391 3.723 20 0 EHADRM O=C([O-])CN(C(=O)/C=C\c1ccsc1C(F)(F)F)C1CCCC1 ZINC000864158374 1137217591 /nfs/dbraw/zinc/21/75/91/1137217591.db2.gz JPDFDTGWDUQKSV-WAYWQWQTSA-N -1 0 347.358 3.636 20 0 EHADRM C/C(=C/c1cccc(Cl)c1)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC000864175126 1137217854 /nfs/dbraw/zinc/21/78/54/1137217854.db2.gz JCYYFABCZFJIBD-GRVZGCSXSA-N -1 0 347.842 3.845 20 0 EHADRM Cc1ccc(C(=O)N2CCC(C)=C(c3ccco3)C2)cc1C(=O)[O-] ZINC000864178670 1137218152 /nfs/dbraw/zinc/21/81/52/1137218152.db2.gz IRPUVESGSQWVLU-UHFFFAOYSA-N -1 0 325.364 3.606 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)NCc2cc(C(=O)[O-])co2)cc1 ZINC000864191238 1137218729 /nfs/dbraw/zinc/21/87/29/1137218729.db2.gz CTJLKADXJFEOLM-ONEGZZNKSA-N -1 0 327.380 3.821 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)CCc1ccc2ccccc2c1)C1CC1 ZINC000864198696 1137218836 /nfs/dbraw/zinc/21/88/36/1137218836.db2.gz KFXBZXQMJXPAHO-HXUWFJFHSA-N -1 0 325.408 3.532 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)CCSc2ccccc2)c1 ZINC000864228505 1137219328 /nfs/dbraw/zinc/21/93/28/1137219328.db2.gz NCUVOVZVHOLTPV-QGZVFWFLSA-N -1 0 343.448 3.809 20 0 EHADRM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1)c1ccccc1 ZINC000864227705 1137219404 /nfs/dbraw/zinc/21/94/04/1137219404.db2.gz FUNWXZRCCBQZGW-ROUUACIJSA-N -1 0 325.408 3.821 20 0 EHADRM Cc1cccc([C@@H](NCc2nc(C(C)(C)C)cs2)C(=O)[O-])c1C ZINC000864509608 1137230899 /nfs/dbraw/zinc/23/08/99/1137230899.db2.gz OGCNPLFEIITFAG-MRXNPFEDSA-N -1 0 332.469 3.973 20 0 EHADRM C[C@@H](NC(=O)N1C2CCC1(C(=O)[O-])CC2)c1csc2ccccc21 ZINC000864521858 1137232026 /nfs/dbraw/zinc/23/20/26/1137232026.db2.gz LPHOLIVUBDOSLX-VQQRXRCHSA-N -1 0 344.436 3.754 20 0 EHADRM CC(C)(CNC(=O)CSc1n[n-]c(=S)s1)C1CCCCC1 ZINC000120464799 1137271816 /nfs/dbraw/zinc/27/18/16/1137271816.db2.gz JWIGUKQLXMVGFJ-UHFFFAOYSA-N -1 0 345.559 3.642 20 0 EHADRM O=C(NCc1cccc(-c2cnco2)c1)c1ccc(Cl)c([O-])c1 ZINC001144400205 1137283920 /nfs/dbraw/zinc/28/39/20/1137283920.db2.gz GJVJKZHXNPLBBF-UHFFFAOYSA-N -1 0 328.755 3.631 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000120672218 1137300803 /nfs/dbraw/zinc/30/08/03/1137300803.db2.gz RBDIQRZJIOUYCZ-VKUYVZBCSA-N -1 0 327.355 3.741 20 0 EHADRM O=C([O-])c1ccsc1CN1CCOC[C@H]1c1ccccc1Cl ZINC001144684979 1137329673 /nfs/dbraw/zinc/32/96/73/1137329673.db2.gz SFOOEZDKPNBJOS-AWEZNQCLSA-N -1 0 337.828 3.673 20 0 EHADRM O=C([O-])c1ccc([C@H](NC(=O)/C=C\C2CCCC2)C(F)(F)F)cc1 ZINC000846121430 1137334466 /nfs/dbraw/zinc/33/44/66/1137334466.db2.gz YMXALLNMAYGODF-ANOSYLROSA-N -1 0 341.329 3.851 20 0 EHADRM O=C(NCCC[C@@H]1CC1(Cl)Cl)c1ccc2[n-]c(=S)oc2c1 ZINC000846588016 1137357919 /nfs/dbraw/zinc/35/79/19/1137357919.db2.gz NYNQYGOKGLDACX-SECBINFHSA-N -1 0 345.251 3.820 20 0 EHADRM CO[C@@](C)(C(=O)Nc1ccc2[n-]c(=S)oc2c1)c1ccccc1 ZINC000121120728 1137367299 /nfs/dbraw/zinc/36/72/99/1137367299.db2.gz WRFRXVVGRWDGEQ-QGZVFWFLSA-N -1 0 328.393 3.617 20 0 EHADRM O=C([O-])c1cncc(NCc2cccc(OCC3CCCCC3)c2)n1 ZINC001171260436 1137380338 /nfs/dbraw/zinc/38/03/38/1137380338.db2.gz IBHNDXUJMGCIQE-UHFFFAOYSA-N -1 0 341.411 3.746 20 0 EHADRM Cc1ccc(-n2nc(C(C)C)cc2NC(=O)c2ncccc2[O-])cc1 ZINC001147343818 1137404898 /nfs/dbraw/zinc/40/48/98/1137404898.db2.gz ZAQYJSLHWLWJNV-UHFFFAOYSA-N -1 0 336.395 3.657 20 0 EHADRM COC(=O)c1ccccc1C(=O)Nc1ccc2[n-]c(=S)sc2c1 ZINC001148234850 1137419642 /nfs/dbraw/zinc/41/96/42/1137419642.db2.gz OAMHAAYXXPAJBY-UHFFFAOYSA-N -1 0 344.417 3.624 20 0 EHADRM COc1cccc(C(=O)Nc2cc(Cl)c(C)c(Cl)c2[O-])c1O ZINC001148202212 1137420386 /nfs/dbraw/zinc/42/03/86/1137420386.db2.gz LFPOVIDWKYZBFG-UHFFFAOYSA-N -1 0 342.178 3.974 20 0 EHADRM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CCC(=O)[C@H]2CCCC[C@H]21 ZINC001148806183 1137435346 /nfs/dbraw/zinc/43/53/46/1137435346.db2.gz OJAGSDAUILVNSK-GXFFZTMASA-N -1 0 342.222 3.673 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)c2cc(Cl)cc(Cl)c2[O-])nc1 ZINC001148811888 1137435536 /nfs/dbraw/zinc/43/55/36/1137435536.db2.gz QETFMTRZXYIULS-SECBINFHSA-N -1 0 325.195 3.893 20 0 EHADRM COC(C)(C)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001148807702 1137435557 /nfs/dbraw/zinc/43/55/57/1137435557.db2.gz ODSOZCUBQVYVBL-LBPRGKRZSA-N -1 0 332.227 3.729 20 0 EHADRM O=C(N[C@@H]1COCc2ccccc21)c1cc(Cl)cc(Cl)c1[O-] ZINC001148813827 1137435841 /nfs/dbraw/zinc/43/58/41/1137435841.db2.gz ITALRHYOHJNYCM-CQSZACIVSA-N -1 0 338.190 3.700 20 0 EHADRM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C)cc3)n[nH]2)s1 ZINC000350658931 1137440537 /nfs/dbraw/zinc/44/05/37/1137440537.db2.gz ZNGSJWVLVSDUBJ-UHFFFAOYSA-N -1 0 333.438 3.556 20 0 EHADRM CSCCCNC(=S)[N-]c1c(SC)cc(C)nc1SC ZINC001247801249 1137478700 /nfs/dbraw/zinc/47/87/00/1137478700.db2.gz UXLDGUKMHFAKJZ-UHFFFAOYSA-N -1 0 347.600 3.873 20 0 EHADRM COc1ccc2ccc(Nc3cc(F)c(C(=O)[O-])c(F)c3)cc2n1 ZINC001203334484 1137494133 /nfs/dbraw/zinc/49/41/33/1137494133.db2.gz VDAKAIWHAPXSHQ-UHFFFAOYSA-N -1 0 330.290 3.963 20 0 EHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCC[C@@H](OC2CCC2)CC1 ZINC000871325621 1137536249 /nfs/dbraw/zinc/53/62/49/1137536249.db2.gz ARNHAGZHYBJYRW-CQSZACIVSA-N -1 0 346.452 3.680 20 0 EHADRM Cc1ccc(NC(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])cc1-c1ccsc1 ZINC000871613893 1137549101 /nfs/dbraw/zinc/54/91/01/1137549101.db2.gz CDZNUIJXDYZPHZ-WFASDCNBSA-N -1 0 348.399 3.752 20 0 EHADRM COCCOc1cccc(CNc2ccc(C)c(C(=O)[O-])c2C)c1 ZINC000871884816 1137562400 /nfs/dbraw/zinc/56/24/00/1137562400.db2.gz KRRQOIHUJQOYPY-UHFFFAOYSA-N -1 0 329.396 3.639 20 0 EHADRM Cc1ccc(NCc2ccc3c(c2)CCC(=O)N3C)c(C)c1C(=O)[O-] ZINC000871884704 1137562471 /nfs/dbraw/zinc/56/24/71/1137562471.db2.gz GUYABJYAJAPNFN-UHFFFAOYSA-N -1 0 338.407 3.523 20 0 EHADRM CCc1[n-]n(-c2nc3cc(C(F)(F)F)ccc3s2)c(=O)c1F ZINC000871956442 1137563691 /nfs/dbraw/zinc/56/36/91/1137563691.db2.gz SKMHDXUKMICIQY-SNVBAGLBSA-N -1 0 331.294 3.766 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2ncccc2C)cc1C(C)C ZINC000872002093 1137564258 /nfs/dbraw/zinc/56/42/58/1137564258.db2.gz FDPYJTDLKUGHTF-UHFFFAOYSA-N -1 0 334.441 3.713 20 0 EHADRM O=S(=O)([N-]c1ccc2c(n1)CCCC2)c1cccc(C(F)F)c1 ZINC000872010912 1137564467 /nfs/dbraw/zinc/56/44/67/1137564467.db2.gz OHIWESNAWQBAOT-UHFFFAOYSA-N -1 0 338.379 3.699 20 0 EHADRM COc1ccc(C2CC2)c([N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000872414589 1137579688 /nfs/dbraw/zinc/57/96/88/1137579688.db2.gz KXBUVWMFDPRUGC-UHFFFAOYSA-N -1 0 339.363 3.652 20 0 EHADRM CC[C@@H]1CN(C(=O)C(C)(C)SCC(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000872954380 1137586905 /nfs/dbraw/zinc/58/69/05/1137586905.db2.gz WKDPJXYKNQYDBP-ZBFHGGJFSA-N -1 0 349.496 3.625 20 0 EHADRM CC(C)(NC(=O)C1=C(C(=O)[O-])CCCC1)c1nc2ccccc2s1 ZINC000872987777 1137587505 /nfs/dbraw/zinc/58/75/05/1137587505.db2.gz WWMQBWFOIHOQJT-UHFFFAOYSA-N -1 0 344.436 3.603 20 0 EHADRM C[C@H](N(C)C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])C(C)(C)C ZINC000873960839 1137608532 /nfs/dbraw/zinc/60/85/32/1137608532.db2.gz DQFORVRKTAWUKH-LBPRGKRZSA-N -1 0 329.396 3.971 20 0 EHADRM O=Cc1cccc(-c2cc(Cl)c3cccnc3c2OCC(=O)[O-])c1 ZINC000874972977 1137627305 /nfs/dbraw/zinc/62/73/05/1137627305.db2.gz NNKSSSKAQHXBRN-UHFFFAOYSA-N -1 0 341.750 3.831 20 0 EHADRM CCO[C@@H](C)c1nc(C2([N-]C(=O)C(F)(F)F)CCCC2)cs1 ZINC000829622524 1137635369 /nfs/dbraw/zinc/63/53/69/1137635369.db2.gz QNVLHKWKMKUYJU-VIFPVBQESA-N -1 0 336.379 3.688 20 0 EHADRM CCC[C@H]1[C@H](C)CCCN1C(=O)c1ncc(Br)cc1[O-] ZINC001137109853 1137659588 /nfs/dbraw/zinc/65/95/88/1137659588.db2.gz HVSONIPVPVFRSR-PWSUYJOCSA-N -1 0 341.249 3.591 20 0 EHADRM C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000879348200 1137745095 /nfs/dbraw/zinc/74/50/95/1137745095.db2.gz GPAINKASHZOTII-CPFSXVBKSA-N -1 0 340.210 3.727 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)[C@H](C)c2ccccc2)cc1 ZINC000131489391 1137854457 /nfs/dbraw/zinc/85/44/57/1137854457.db2.gz XAHOHOOPQZWWRN-HUUCEWRRSA-N -1 0 345.464 3.560 20 0 EHADRM O=C([O-])[C@@H]1CCN(C[C@H]2CC[C@H](c3ccccc3)O2)c2ccccc21 ZINC000883407159 1137859974 /nfs/dbraw/zinc/85/99/74/1137859974.db2.gz MRQGKTQDLBQQCO-YVWKXTFCSA-N -1 0 337.419 3.985 20 0 EHADRM O=S(=O)(/C=C\c1ccccc1F)[N-]c1cc(-c2ccccc2)on1 ZINC000800039993 1137895373 /nfs/dbraw/zinc/89/53/73/1137895373.db2.gz VPOWFDPIOLJRQR-KHPPLWFESA-N -1 0 344.367 3.893 20 0 EHADRM C[C@@H](NC(=O)c1s[n-]c(=O)c1Cl)c1ccc2c(c1)CCCC2 ZINC000282882661 1137897303 /nfs/dbraw/zinc/89/73/03/1137897303.db2.gz FJXDJPZQALMZOV-SECBINFHSA-N -1 0 336.844 3.872 20 0 EHADRM CCC[C@@H](NC(=O)N=c1[n-]nc(CC(C)C)s1)c1ccccc1 ZINC000348287101 1137899416 /nfs/dbraw/zinc/89/94/16/1137899416.db2.gz CCCMCQYPPRYLHP-CQSZACIVSA-N -1 0 332.473 3.821 20 0 EHADRM CCCc1nc(=NC(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)s[n-]1 ZINC000331521122 1137911473 /nfs/dbraw/zinc/91/14/73/1137911473.db2.gz CXHRLQICSRDYFC-NEPJUHHUSA-N -1 0 334.445 3.511 20 0 EHADRM C[C@H]1CCN(C(=O)N=c2nc(C(C)(C)C)[n-]s2)[C@H](c2ccco2)C1 ZINC000331588556 1137913456 /nfs/dbraw/zinc/91/34/56/1137913456.db2.gz KNVZEIMFNVPGTN-RYUDHWBXSA-N -1 0 348.472 3.856 20 0 EHADRM O=C(N[C@H](C[C@H]1CCOC1)c1ccccc1)c1ccc([O-])c(Cl)c1 ZINC000119861028 1137944913 /nfs/dbraw/zinc/94/49/13/1137944913.db2.gz NGAUXESTRFIRNB-CXAGYDPISA-N -1 0 345.826 3.943 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)N=c2ccc(C3CC3)n[n-]2)C1 ZINC000333177153 1137957285 /nfs/dbraw/zinc/95/72/85/1137957285.db2.gz LRZXJMCXNZNJSA-SJKOYZFVSA-N -1 0 340.402 3.530 20 0 EHADRM C[C@]1(Cc2cccs2)CCCN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000885257006 1137993629 /nfs/dbraw/zinc/99/36/29/1137993629.db2.gz PFNWJCKMTCEVBV-QGZVFWFLSA-N -1 0 337.391 3.969 20 0 EHADRM CCCCc1ccc(NC(=O)Cc2nc(=O)c3sccc3[n-]2)cc1 ZINC000053847663 1138048221 /nfs/dbraw/zinc/04/82/21/1138048221.db2.gz MLYXBBQVVSFWHO-UHFFFAOYSA-N -1 0 341.436 3.508 20 0 EHADRM Cc1cc(C(F)(F)F)cc(C)c1[N-]S(=O)(=O)c1ccns1 ZINC000886421341 1138074369 /nfs/dbraw/zinc/07/43/69/1138074369.db2.gz WEGSQJDKWOICLK-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM CC(C)n1nccc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000066248398 1138074777 /nfs/dbraw/zinc/07/47/77/1138074777.db2.gz IVUZBLXSUOZYNK-UHFFFAOYSA-N -1 0 334.228 3.572 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cnc1C ZINC000886433446 1138076389 /nfs/dbraw/zinc/07/63/89/1138076389.db2.gz KDYVNHHCFUWFCK-UHFFFAOYSA-N -1 0 344.358 3.604 20 0 EHADRM CCSCc1cccnc1[N-]S(=O)(=O)c1ccc(C)c(F)c1 ZINC000886444944 1138078577 /nfs/dbraw/zinc/07/85/77/1138078577.db2.gz QHOGZDRBKUTKON-UHFFFAOYSA-N -1 0 340.445 3.583 20 0 EHADRM CCCCO[C@H]1C[C@H](N(C)C(=O)c2cc(F)cc(F)c2[O-])C1(C)C ZINC001137234595 1138185437 /nfs/dbraw/zinc/18/54/37/1138185437.db2.gz NXXANKCHCHGWOW-GJZGRUSLSA-N -1 0 341.398 3.726 20 0 EHADRM C[C@@H](NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-])c1cc2ccccc2s1 ZINC000887286974 1138256334 /nfs/dbraw/zinc/25/63/34/1138256334.db2.gz GASGDPIDKFFKHZ-JRRBAZMTSA-N -1 0 341.432 3.601 20 0 EHADRM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1cccc(C(F)F)c1Cl ZINC000887290697 1138256873 /nfs/dbraw/zinc/25/68/73/1138256873.db2.gz BAXFYSRXHRPCPD-FCMYFTRRSA-N -1 0 341.741 3.739 20 0 EHADRM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000887290778 1138257110 /nfs/dbraw/zinc/25/71/10/1138257110.db2.gz CZALPPUZLCRKSR-BCWBERDBSA-N -1 0 341.741 3.739 20 0 EHADRM CC(C)c1cc(NC(=O)[C@@](C)(CC(=O)[O-])c2ccsc2)ccc1O ZINC000887317732 1138263596 /nfs/dbraw/zinc/26/35/96/1138263596.db2.gz QITZZFCVCMBBBA-SFHVURJKSA-N -1 0 347.436 3.948 20 0 EHADRM CC(C)(CCC(=O)[O-])C(=O)NCCc1ccc(Cl)c(Cl)c1 ZINC000887321000 1138264662 /nfs/dbraw/zinc/26/46/62/1138264662.db2.gz WTUULTVZRFSFEJ-UHFFFAOYSA-N -1 0 332.227 3.543 20 0 EHADRM O=c1nc(-c2cc(F)cc(F)c2[O-])[nH]c2sc3c(c21)CCCC3 ZINC000887327168 1138267172 /nfs/dbraw/zinc/26/71/72/1138267172.db2.gz ZDGNSECEMDSXCB-UHFFFAOYSA-N -1 0 334.347 3.927 20 0 EHADRM CCCOc1ccc(NC(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1C(C)C ZINC000887394367 1138302531 /nfs/dbraw/zinc/30/25/31/1138302531.db2.gz OSBPYNAUEVAGJF-LJQANCHMSA-N -1 0 348.443 3.927 20 0 EHADRM C[N@H+](Cc1nc(=O)c2sccc2[n-]1)[C@@H]1CCCc2ccc(F)cc21 ZINC000131850044 1138545965 /nfs/dbraw/zinc/54/59/65/1138545965.db2.gz RGMBDUJIMDFFQJ-OAHLLOKOSA-N -1 0 343.427 3.633 20 0 EHADRM Cc1ccc(S[C@H](C)C(=O)N(CC(=O)[O-])c2ccccc2)cc1 ZINC000337754828 1138659695 /nfs/dbraw/zinc/65/96/95/1138659695.db2.gz RUAFWRQTZHNDRL-CQSZACIVSA-N -1 0 329.421 3.593 20 0 EHADRM CCCn1ccc2cc([N-]S(=O)(=O)c3ccc(C)nc3)ccc21 ZINC000337756926 1138660776 /nfs/dbraw/zinc/66/07/76/1138660776.db2.gz IFYMJUUUAFUBHY-UHFFFAOYSA-N -1 0 329.425 3.556 20 0 EHADRM CCOCc1ccc([N-]S(=O)(=O)c2cnc3ccccc3c2)cc1 ZINC000337762528 1138662195 /nfs/dbraw/zinc/66/21/95/1138662195.db2.gz QBJSTEYJPJZWPS-UHFFFAOYSA-N -1 0 342.420 3.572 20 0 EHADRM COCc1cccc([N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)c1 ZINC000348483274 1138899840 /nfs/dbraw/zinc/89/98/40/1138899840.db2.gz YMAXSGLQRKXQMK-UHFFFAOYSA-N -1 0 349.383 3.828 20 0 EHADRM CC(C)(CC(=O)Nc1cccc(Br)c1Cl)C(=O)[O-] ZINC000338413305 1138902193 /nfs/dbraw/zinc/90/21/93/1138902193.db2.gz UIIORBYSGUMVPS-UHFFFAOYSA-N -1 0 334.597 3.542 20 0 EHADRM CCc1cnc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)s1 ZINC000174022128 1139394896 /nfs/dbraw/zinc/39/48/96/1139394896.db2.gz GFFFIXAJZJYJSI-UHFFFAOYSA-N -1 0 336.360 3.525 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCC[C@@H](C(F)(F)F)C1 ZINC000178452001 1139695973 /nfs/dbraw/zinc/69/59/73/1139695973.db2.gz MFMAWMRSOYZDHA-SSDOTTSWSA-N -1 0 325.689 3.599 20 0 EHADRM CCC(CC)(CC)C(=O)[N-]S(=O)(=O)c1cccc(C)c1Cl ZINC000777355002 1139809737 /nfs/dbraw/zinc/80/97/37/1139809737.db2.gz GQNLVWCHNFINJJ-UHFFFAOYSA-N -1 0 331.865 3.670 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)C[C@@H](C)CC(C)C)c1Cl ZINC000777354421 1139815354 /nfs/dbraw/zinc/81/53/54/1139815354.db2.gz MNVJWUDZCIKSTO-NSHDSACASA-N -1 0 331.865 3.526 20 0 EHADRM CCCCCC[C@](C)(NC(=O)[C@@H]1C[C@H]1c1ccccc1OC)C(=O)[O-] ZINC000777371293 1139913210 /nfs/dbraw/zinc/91/32/10/1139913210.db2.gz JGDOCEZLIWAYSP-YRNRMSPPSA-N -1 0 347.455 3.729 20 0 EHADRM CCn1cc(C(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)c2ccccc21 ZINC000181712671 1139926181 /nfs/dbraw/zinc/92/61/81/1139926181.db2.gz CABLMMUVYQBBSD-UHFFFAOYSA-N -1 0 340.379 3.533 20 0 EHADRM CCCS(=O)(=O)[N-]c1noc(-c2ccc(Cl)s2)c1CC ZINC000182733729 1139989212 /nfs/dbraw/zinc/98/92/12/1139989212.db2.gz OOQMKJGFAVRECY-UHFFFAOYSA-N -1 0 334.850 3.771 20 0 EHADRM O=C(Nc1ccccc1N1CCCCC1)c1cc(F)c([O-])c(F)c1 ZINC000183302135 1140028182 /nfs/dbraw/zinc/02/81/82/1140028182.db2.gz SKFLXVWHLFCJNU-UHFFFAOYSA-N -1 0 332.350 3.913 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCCCC[C@@H]1c1ccncc1 ZINC000183407666 1140035975 /nfs/dbraw/zinc/03/59/75/1140035975.db2.gz HUBUASOHDPOMOI-MRXNPFEDSA-N -1 0 332.350 3.823 20 0 EHADRM CO[C@@H](C)CCC(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000184138610 1140082186 /nfs/dbraw/zinc/08/21/86/1140082186.db2.gz MXHGDCPHYMKVRO-ZETCQYMHSA-N -1 0 336.613 3.562 20 0 EHADRM C[C@@H](CCC(=O)Nc1cccc(Cl)c1[O-])NC(=O)OC(C)(C)C ZINC000192440253 1140532288 /nfs/dbraw/zinc/53/22/88/1140532288.db2.gz LLIGAFVMWMEVIS-JTQLQIEISA-N -1 0 342.823 3.678 20 0 EHADRM CCC(CC)[C@@H]1C[C@@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)CCO1 ZINC000192456302 1140533240 /nfs/dbraw/zinc/53/32/40/1140533240.db2.gz WEAFOPHBIBLVRM-WFASDCNBSA-N -1 0 343.826 3.898 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000192895372 1140555292 /nfs/dbraw/zinc/55/52/92/1140555292.db2.gz KVCDMPSXVQVLPV-SUMWQHHRSA-N -1 0 343.448 3.844 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000194384333 1140606811 /nfs/dbraw/zinc/60/68/11/1140606811.db2.gz KRJRVZHHHIYFEZ-UHFFFAOYSA-N -1 0 329.849 3.641 20 0 EHADRM CN(Cc1cccc(C(F)(F)F)c1)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000194405192 1140607900 /nfs/dbraw/zinc/60/79/00/1140607900.db2.gz AGCUALLOUNACFX-UHFFFAOYSA-N -1 0 343.345 3.555 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000194418118 1140608725 /nfs/dbraw/zinc/60/87/25/1140608725.db2.gz RIGJYUJINFXVLQ-GRTSSRMGSA-N -1 0 337.847 3.620 20 0 EHADRM Cc1ccc(CN(C(=O)C2CCC(C(=O)[O-])CC2)C2CC2)cc1C ZINC000194421480 1140608933 /nfs/dbraw/zinc/60/89/33/1140608933.db2.gz FREJGMHMOOXACI-UHFFFAOYSA-N -1 0 329.440 3.685 20 0 EHADRM Cc1ccc(C)c(S([O-])=CC(=O)N[C@@H](c2ccccc2)C2CC2)c1 ZINC000194495505 1140611745 /nfs/dbraw/zinc/61/17/45/1140611745.db2.gz SKYIVQMJIIXGIV-RDPSFJRHSA-N -1 0 341.476 3.679 20 0 EHADRM O=C(NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1cc(F)c([O-])c(Cl)c1 ZINC000194875555 1140624895 /nfs/dbraw/zinc/62/48/95/1140624895.db2.gz HDEQPPSOPZGNHL-XJKCOSOUSA-N -1 0 331.774 3.500 20 0 EHADRM CC[C@@H](C)[C@H]1CCCCN1C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000266804431 1140724778 /nfs/dbraw/zinc/72/47/78/1140724778.db2.gz BIWIPAJOHTVQDD-CRAIPNDOSA-N -1 0 341.455 3.515 20 0 EHADRM Cc1ccc(C)c(OCCCCC(=O)NCCCCCC(=O)[O-])c1 ZINC000268995103 1141042159 /nfs/dbraw/zinc/04/21/59/1141042159.db2.gz VMZYCVSGMFWUOS-UHFFFAOYSA-N -1 0 335.444 3.614 20 0 EHADRM Cc1ccc(-c2ncco2)cc1NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000270400373 1141218821 /nfs/dbraw/zinc/21/88/21/1141218821.db2.gz FCTDFDIJQAFJJH-UHFFFAOYSA-N -1 0 328.368 3.624 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)NO[C@@H]3CCCCO3)cn2)cc1 ZINC000274256588 1141490671 /nfs/dbraw/zinc/49/06/71/1141490671.db2.gz XISIDBUUUUKAED-QGZVFWFLSA-N -1 0 343.383 3.762 20 0 EHADRM O=C(NCc1c(F)cccc1Cl)c1cc(F)c(F)c([O-])c1F ZINC000348600003 1141556242 /nfs/dbraw/zinc/55/62/42/1141556242.db2.gz OPKXTAAOQQKSOU-UHFFFAOYSA-N -1 0 333.668 3.532 20 0 EHADRM Cc1cc(O)c(C(C)C)cc1NC(=O)c1s[n-]c(=O)c1Cl ZINC000283390875 1141616231 /nfs/dbraw/zinc/61/62/31/1141616231.db2.gz KSPBGCBAZGYZKS-UHFFFAOYSA-N -1 0 326.805 3.892 20 0 EHADRM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000349145452 1141645139 /nfs/dbraw/zinc/64/51/39/1141645139.db2.gz UUJKRZRRZIUUHJ-UHFFFAOYSA-N -1 0 340.763 3.730 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc(Cl)ccc1Cl)C1CCCCC1 ZINC000038036183 213195711 /nfs/dbraw/zinc/19/57/11/213195711.db2.gz UDBZWRRPTDMFLF-CYBMUJFWSA-N -1 0 330.211 3.757 20 0 EHADRM CC(C)(C)SCC(=O)Nc1cc(Br)ccc1C(=O)[O-] ZINC000037742389 213163893 /nfs/dbraw/zinc/16/38/93/213163893.db2.gz HQSINNXFRQDULQ-UHFFFAOYSA-N -1 0 346.246 3.618 20 0 EHADRM CCOc1ccc(CC(=O)Nc2sc(CC)cc2C(=O)[O-])cc1 ZINC000020333222 212120749 /nfs/dbraw/zinc/12/07/49/212120749.db2.gz ZBVODJZGEZQDNU-UHFFFAOYSA-N -1 0 333.409 3.589 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(Br)ccc2F)cc1 ZINC000019504380 212035659 /nfs/dbraw/zinc/03/56/59/212035659.db2.gz IDXRQCFALAOUCA-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM Cc1cc2cc(NS(=O)(=O)c3cccc(Cl)c3[O-])ccc2[nH]1 ZINC000339203466 450602838 /nfs/dbraw/zinc/60/28/38/450602838.db2.gz XXGHVNUFWRRVSE-UHFFFAOYSA-N -1 0 336.800 3.636 20 0 EHADRM CSc1ccc(Cl)c(C(=O)NC2(C(=O)[O-])CCCCC2)c1 ZINC000037409894 526012321 /nfs/dbraw/zinc/01/23/21/526012321.db2.gz JIFOCSQMQHQVKE-UHFFFAOYSA-N -1 0 327.833 3.579 20 0 EHADRM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818084860 596925134 /nfs/dbraw/zinc/92/51/34/596925134.db2.gz FHPKXDLQEPGGIN-PBHICJAKSA-N -1 0 338.407 3.724 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N(Cc1ccccc1)CC(F)F ZINC000819602817 597015429 /nfs/dbraw/zinc/01/54/29/597015429.db2.gz BWJYGCBKYFDOBE-UHFFFAOYSA-N -1 0 348.349 3.613 20 0 EHADRM O=C([O-])CSCC(=O)Nc1ccccc1Sc1ccccc1 ZINC000319095177 597085648 /nfs/dbraw/zinc/08/56/48/597085648.db2.gz DCAPWSNXRPCVQL-UHFFFAOYSA-N -1 0 333.434 3.594 20 0 EHADRM CC(C)Sc1ccc(Cl)cc1NC(=O)CSCC(=O)[O-] ZINC000592992208 597091990 /nfs/dbraw/zinc/09/19/90/597091990.db2.gz QGBVMXJQDLSASO-UHFFFAOYSA-N -1 0 333.862 3.597 20 0 EHADRM COc1cccc(CNc2cccc(CC(=O)[O-])c2)c1OC(C)C ZINC000414634685 597137763 /nfs/dbraw/zinc/13/77/63/597137763.db2.gz CXCYIEPRCJBPIG-UHFFFAOYSA-N -1 0 329.396 3.722 20 0 EHADRM O=C([O-])Cc1cccc(NCc2ccc(OCc3ccncc3)cc2)c1 ZINC000819579613 597138209 /nfs/dbraw/zinc/13/82/09/597138209.db2.gz IRAXFCXGQQECTI-UHFFFAOYSA-N -1 0 348.402 3.900 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000263509686 597139657 /nfs/dbraw/zinc/13/96/57/597139657.db2.gz XDTNJMTXUBKGIS-UHFFFAOYSA-N -1 0 343.383 3.639 20 0 EHADRM Cc1cc(C)c(NC(=O)NCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000240766564 597166043 /nfs/dbraw/zinc/16/60/43/597166043.db2.gz AUKXQDFSELPSNM-UHFFFAOYSA-N -1 0 332.787 3.977 20 0 EHADRM Cc1cc([C@H](C)NC(=O)NCc2ccc(C(=O)[O-])cc2)c(C)s1 ZINC000261623310 597212811 /nfs/dbraw/zinc/21/28/11/597212811.db2.gz BGBFSAUZFIRLAM-NSHDSACASA-N -1 0 332.425 3.624 20 0 EHADRM O=C([O-])c1ccc(C[S@](=O)Cc2csc(-c3ccoc3)n2)cc1 ZINC000819691263 597286989 /nfs/dbraw/zinc/28/69/89/597286989.db2.gz HMEWQKIJEWLBMA-QHCPKHFHSA-N -1 0 347.417 3.550 20 0 EHADRM COc1ccccc1[C@H]1CCCCN1C(=O)NCCCCCC(=O)[O-] ZINC000818631179 597304738 /nfs/dbraw/zinc/30/47/38/597304738.db2.gz HZRCNBXOQUVVKW-MRXNPFEDSA-N -1 0 348.443 3.577 20 0 EHADRM CCc1nc2ccccc2c(C(=O)Nc2ccccc2CC(=O)[O-])c1C ZINC000818350377 597317044 /nfs/dbraw/zinc/31/70/44/597317044.db2.gz DMTUNMQZUSXBQH-UHFFFAOYSA-N -1 0 348.402 3.985 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1NC(=O)NCCCC(=O)[O-] ZINC000738251369 597319902 /nfs/dbraw/zinc/31/99/02/597319902.db2.gz KBNAZEDQPQNHAK-UHFFFAOYSA-N -1 0 328.368 3.774 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000819602811 597324942 /nfs/dbraw/zinc/32/49/42/597324942.db2.gz BFGWYCSWKXNLSV-UHFFFAOYSA-N -1 0 342.370 3.649 20 0 EHADRM COc1cc(Cl)c(C)cc1NC(=O)Nc1ccccc1CC(=O)[O-] ZINC000324595164 597334444 /nfs/dbraw/zinc/33/44/44/597334444.db2.gz GHTTZIBJCKINNF-UHFFFAOYSA-N -1 0 348.786 3.928 20 0 EHADRM CCCOc1ccccc1NC(=O)Nc1ccccc1CC(=O)[O-] ZINC000818181087 597334929 /nfs/dbraw/zinc/33/49/29/597334929.db2.gz RDYFZKHTFAWMHK-UHFFFAOYSA-N -1 0 328.368 3.747 20 0 EHADRM Cc1ccc(C(C)(C)CNC(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000818878982 597338760 /nfs/dbraw/zinc/33/87/60/597338760.db2.gz ARDUNPCWOGOYSV-UHFFFAOYSA-N -1 0 340.423 3.721 20 0 EHADRM CCOc1cccc([C@@H](C)NC(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000818244841 597339966 /nfs/dbraw/zinc/33/99/66/597339966.db2.gz ZLPNCVCCCGORNP-CYBMUJFWSA-N -1 0 342.395 3.595 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)NC1(c2ccc(F)cc2)CCC1 ZINC000819611007 597340503 /nfs/dbraw/zinc/34/05/03/597340503.db2.gz WJOFNXDPOGLALS-UHFFFAOYSA-N -1 0 342.370 3.654 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2ccccc2CC(=O)[O-])c(C)c1 ZINC000818878998 597342052 /nfs/dbraw/zinc/34/20/52/597342052.db2.gz CKQSPZNSMYCTBT-AWEZNQCLSA-N -1 0 326.396 3.813 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000821539311 597380112 /nfs/dbraw/zinc/38/01/12/597380112.db2.gz GDZBTHDSHHDJON-MRXNPFEDSA-N -1 0 344.798 3.946 20 0 EHADRM CSc1cccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1C ZINC000780713320 598180241 /nfs/dbraw/zinc/18/02/41/598180241.db2.gz CERCHVNKGYYAAU-HNNXBMFYSA-N -1 0 344.436 3.534 20 0 EHADRM C[C@H](CSCCCC(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000736614704 600600942 /nfs/dbraw/zinc/60/09/42/600600942.db2.gz XXLATBKOHMPEGY-SNVBAGLBSA-N -1 0 345.258 3.866 20 0 EHADRM COc1cc(CNC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)ccc1C ZINC000737886429 599713556 /nfs/dbraw/zinc/71/35/56/599713556.db2.gz OZLXWXAKMZFPSW-UHFFFAOYSA-N -1 0 347.346 3.554 20 0 EHADRM CN(Cc1ccccc1F)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000737492851 599715653 /nfs/dbraw/zinc/71/56/53/599715653.db2.gz WMXYKPUGGOAOTE-UHFFFAOYSA-N -1 0 335.310 3.719 20 0 EHADRM O=C([O-])c1cccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)c1O ZINC000739342283 599720794 /nfs/dbraw/zinc/72/07/94/599720794.db2.gz UEYBLBDDPZSJNE-UHFFFAOYSA-N -1 0 347.370 3.939 20 0 EHADRM COc1ccc([C@@H](C)C(=O)Oc2ccc(Cl)cc2C(=O)[O-])cc1 ZINC000737949427 599724764 /nfs/dbraw/zinc/72/47/64/599724764.db2.gz MHSDWJVTWBURMX-SNVBAGLBSA-N -1 0 334.755 3.756 20 0 EHADRM Cc1cccc(C)c1Oc1ccccc1NC(=O)CCNC(=O)[O-] ZINC000738687865 599725904 /nfs/dbraw/zinc/72/59/04/599725904.db2.gz WFLOCMODYNZPFO-UHFFFAOYSA-N -1 0 328.368 3.692 20 0 EHADRM CC(C)[C@H](NC(=O)CCCN(C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000736358564 599727619 /nfs/dbraw/zinc/72/76/19/599727619.db2.gz KEJNFPITEZUIFA-HNNXBMFYSA-N -1 0 326.824 3.543 20 0 EHADRM CN(CCCC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1)C(=O)[O-] ZINC000737423316 599734302 /nfs/dbraw/zinc/73/43/02/599734302.db2.gz UIIIRNXOHIHKJZ-KRWDZBQOSA-N -1 0 336.407 3.563 20 0 EHADRM CCN(Cc1c(F)cccc1F)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000737102370 599756401 /nfs/dbraw/zinc/75/64/01/599756401.db2.gz YCEWNUWVKVNRTH-UHFFFAOYSA-N -1 0 334.322 3.717 20 0 EHADRM COc1ccc([C@@H](NC(=O)c2cc3sccc3s2)C(=O)[O-])cc1 ZINC000737960885 599762558 /nfs/dbraw/zinc/76/25/58/599762558.db2.gz DMPHJSRVHMSFFA-CQSZACIVSA-N -1 0 347.417 3.527 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1 ZINC000238029718 599766005 /nfs/dbraw/zinc/76/60/05/599766005.db2.gz PCFFWTQUVFPNOT-UHFFFAOYSA-N -1 0 335.762 3.678 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)CCSc2ccc(F)cc2)cc1 ZINC000238027626 599767111 /nfs/dbraw/zinc/76/71/11/599767111.db2.gz QZPIYJHEWUNGRX-UHFFFAOYSA-N -1 0 347.411 3.964 20 0 EHADRM CCn1cc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)c2ccccc21 ZINC000181869580 599767558 /nfs/dbraw/zinc/76/75/58/599767558.db2.gz QHTSOUPOPYSLIA-UHFFFAOYSA-N -1 0 336.391 3.931 20 0 EHADRM CC(C)(C(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000236725460 599772440 /nfs/dbraw/zinc/77/24/40/599772440.db2.gz KBQHJYFHDLBHAY-UHFFFAOYSA-N -1 0 329.371 3.759 20 0 EHADRM Cc1cc(C(=O)OCc2occc2C(=O)[O-])cc(C)c1OC(F)F ZINC000738350281 599789902 /nfs/dbraw/zinc/78/99/02/599789902.db2.gz CITZMBYKVNZBGZ-UHFFFAOYSA-N -1 0 340.278 3.553 20 0 EHADRM O=C([O-])c1ccoc1COC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000740252111 599791369 /nfs/dbraw/zinc/79/13/69/599791369.db2.gz KTBRNQMCNAMVFC-IAGOWNOFSA-N -1 0 336.343 3.978 20 0 EHADRM O=C([O-])CCCCNC(=O)NCc1ccccc1Oc1ccccc1 ZINC000666523905 599793004 /nfs/dbraw/zinc/79/30/04/599793004.db2.gz NSAXENHRINSFLS-UHFFFAOYSA-N -1 0 342.395 3.533 20 0 EHADRM O=C([O-])c1ccc2c(=O)[nH]c(C=Cc3ccc4ncccc4c3)nc2c1 ZINC000740190167 599802470 /nfs/dbraw/zinc/80/24/70/599802470.db2.gz KZFJXKLCXSCRQF-XBXARRHUSA-N -1 0 343.342 3.752 20 0 EHADRM Cc1cc(C)n(-c2ccc(C(=O)Nc3ccsc3C(=O)[O-])cc2)n1 ZINC000738368401 599802710 /nfs/dbraw/zinc/80/27/10/599802710.db2.gz BPCLYUOXEWVIMB-UHFFFAOYSA-N -1 0 341.392 3.501 20 0 EHADRM O=C([O-])c1coc(CSc2n[nH]c(C=Cc3ccccc3)n2)c1 ZINC000740268675 599804088 /nfs/dbraw/zinc/80/40/88/599804088.db2.gz CWSUZPIKSDIFRD-VOTSOKGWSA-N -1 0 327.365 3.559 20 0 EHADRM Cc1cc(C)cc(-c2nnc(SCc3cc(C(=O)[O-])co3)o2)c1 ZINC000738356879 599804127 /nfs/dbraw/zinc/80/41/27/599804127.db2.gz AASITFHBSVJJOE-UHFFFAOYSA-N -1 0 330.365 3.937 20 0 EHADRM O=C([O-])c1coc(CSc2n[nH]c(C=Cc3ccccc3)n2)c1 ZINC000740268673 599804160 /nfs/dbraw/zinc/80/41/60/599804160.db2.gz CWSUZPIKSDIFRD-SREVYHEPSA-N -1 0 327.365 3.559 20 0 EHADRM C[C@@H](S[C@H]1CCCc2ccccc21)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000736709027 599804605 /nfs/dbraw/zinc/80/46/05/599804605.db2.gz MSAGYXSWDKTATB-DYVFJYSZSA-N -1 0 347.480 3.509 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1COc2ccc(Cl)cc2C1 ZINC000013258716 599806868 /nfs/dbraw/zinc/80/68/68/599806868.db2.gz NFQBRWIPOXPBAP-CYBMUJFWSA-N -1 0 345.782 3.536 20 0 EHADRM CC(C)[C@@H](NC(=O)[O-])C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000736632583 599808502 /nfs/dbraw/zinc/80/85/02/599808502.db2.gz GHEDXLZSASEOPA-KBXCAEBGSA-N -1 0 340.423 3.823 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)c(Cl)c1 ZINC000737930309 599820660 /nfs/dbraw/zinc/82/06/60/599820660.db2.gz BOWWXFKTFPKGMH-UHFFFAOYSA-N -1 0 334.759 3.715 20 0 EHADRM C[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000736777347 599822517 /nfs/dbraw/zinc/82/25/17/599822517.db2.gz BOFLFJCNIXBVCL-DOMZBBRYSA-N -1 0 336.457 3.705 20 0 EHADRM CCN(CCc1ccccc1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000737102336 599825916 /nfs/dbraw/zinc/82/59/16/599825916.db2.gz WFNVPOIQYUGNBN-UHFFFAOYSA-N -1 0 340.423 3.800 20 0 EHADRM CCOc1cc(/C=C(/C(=O)[O-])c2ccncc2)ccc1OC(F)F ZINC000737190890 599831057 /nfs/dbraw/zinc/83/10/57/599831057.db2.gz FCJXQTPTASDBBE-UKTHLTGXSA-N -1 0 335.306 3.707 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H]2CCCc3ccccc32)c(F)c1 ZINC000325039306 599836200 /nfs/dbraw/zinc/83/62/00/599836200.db2.gz OZYNDAUMBRBXDO-HNNXBMFYSA-N -1 0 328.343 3.723 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)c1cnc(C3CC3)s1)CCCC2 ZINC000738513533 599840960 /nfs/dbraw/zinc/84/09/60/599840960.db2.gz ANHBOXJUFQNUKJ-UHFFFAOYSA-N -1 0 348.449 3.911 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000324725499 599843444 /nfs/dbraw/zinc/84/34/44/599843444.db2.gz HAAORXBXEXGRPI-UHFFFAOYSA-N -1 0 345.223 3.934 20 0 EHADRM CC(C)c1ccc(C2(C(=O)N3CC[C@@H](C(=O)[O-])C3)CCCC2)cc1 ZINC000178257784 599844382 /nfs/dbraw/zinc/84/43/82/599844382.db2.gz FGZINFRLZGVAQI-MRXNPFEDSA-N -1 0 329.440 3.555 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)c1cc(-c2ccccc2F)on1 ZINC000739486055 599844736 /nfs/dbraw/zinc/84/47/36/599844736.db2.gz UFALMTNDYPQWCG-UHFFFAOYSA-N -1 0 344.273 3.570 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C)s2)cc1 ZINC000237353123 599848559 /nfs/dbraw/zinc/84/85/59/599848559.db2.gz VVLGNXCGSXYODJ-CYBMUJFWSA-N -1 0 335.450 3.724 20 0 EHADRM C[C@H](c1ccccc1Br)N(C)Cc1cc(C(=O)[O-])co1 ZINC000736723998 599849374 /nfs/dbraw/zinc/84/93/74/599849374.db2.gz IOKVXBACFKIVGV-SNVBAGLBSA-N -1 0 338.201 3.933 20 0 EHADRM O=C([O-])c1c(F)cccc1NCc1nc(-c2cccc(Cl)c2)no1 ZINC000740065888 599857378 /nfs/dbraw/zinc/85/73/78/599857378.db2.gz JYFRTAJWTUIPBT-UHFFFAOYSA-N -1 0 347.733 3.839 20 0 EHADRM C[C@H](Cc1nc(-c2cc(C(=O)[O-])co2)cs1)n1cc(Cl)cn1 ZINC000736628352 599858668 /nfs/dbraw/zinc/85/86/68/599858668.db2.gz CGHZFBINYNGULE-MRVPVSSYSA-N -1 0 337.788 3.755 20 0 EHADRM Cc1c(Cl)c(-c2cc(C(=O)[O-])co2)nc2cc3c(cc12)OCO3 ZINC000738289893 599859238 /nfs/dbraw/zinc/85/92/38/599859238.db2.gz OMIBMBAKXMWZQH-UHFFFAOYSA-N -1 0 331.711 3.884 20 0 EHADRM CC(C)c1nc(CN(CC(=O)[O-])Cc2ccc(F)c(F)c2)cs1 ZINC000652475357 599864445 /nfs/dbraw/zinc/86/44/45/599864445.db2.gz MKSFEGVNFISZJN-UHFFFAOYSA-N -1 0 340.395 3.632 20 0 EHADRM O=C([O-])c1coc(COC(=O)CCCc2c[nH]c3ccccc23)c1 ZINC000739235018 599877877 /nfs/dbraw/zinc/87/78/77/599877877.db2.gz FBXIHJCRSPKEPI-UHFFFAOYSA-N -1 0 327.336 3.525 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)OCc1cc(C(=O)[O-])co1 ZINC000736890886 599879200 /nfs/dbraw/zinc/87/92/00/599879200.db2.gz JRFGYQGBADNUPE-LBPRGKRZSA-N -1 0 332.352 3.614 20 0 EHADRM CCCO[C@H]1CCCN(C(=O)Nc2cccc(NC(=O)[O-])c2)CC1 ZINC000737027731 599879810 /nfs/dbraw/zinc/87/98/10/599879810.db2.gz ILRQSZGGJGFVNN-HNNXBMFYSA-N -1 0 335.404 3.590 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)Nc2cccc(F)c2)cc1 ZINC000738199401 599880683 /nfs/dbraw/zinc/88/06/83/599880683.db2.gz AVOPFPPEBIHJOS-OAHLLOKOSA-N -1 0 348.399 3.885 20 0 EHADRM O=C([O-])c1coc(COC(=O)CCc2ccc(-c3ccccc3)[nH]2)c1 ZINC000739252339 599883757 /nfs/dbraw/zinc/88/37/57/599883757.db2.gz RVIAWJJZJZVNAA-UHFFFAOYSA-N -1 0 339.347 3.649 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)OCc1cc(C(=O)[O-])co1 ZINC000738550848 599883768 /nfs/dbraw/zinc/88/37/68/599883768.db2.gz JJRRCKNUPGJPEX-ZDUSSCGKSA-N -1 0 346.379 3.920 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)OCc2cc(C(=O)[O-])co2)c1 ZINC000738553617 599883953 /nfs/dbraw/zinc/88/39/53/599883953.db2.gz XAKUVSKDVMLRSR-ZDUSSCGKSA-N -1 0 346.379 3.920 20 0 EHADRM Cc1ccccc1N(C(=O)c1ccc(OCC(=O)[O-])cc1)C(C)C ZINC000738778744 599886058 /nfs/dbraw/zinc/88/60/58/599886058.db2.gz UJKZPKBIUGJPIL-UHFFFAOYSA-N -1 0 327.380 3.514 20 0 EHADRM C[C@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)OC(C)(C)C ZINC000736727233 599886544 /nfs/dbraw/zinc/88/65/44/599886544.db2.gz YHDCLBIUVNIJMC-GFCCVEGCSA-N -1 0 346.383 3.871 20 0 EHADRM CCC[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000736973740 599887353 /nfs/dbraw/zinc/88/73/53/599887353.db2.gz KJBNTEQMGPLYTL-CZUORRHYSA-N -1 0 334.416 3.630 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2cccc(OC3CCCC3)c2)cc1 ZINC000238135607 599887879 /nfs/dbraw/zinc/88/78/79/599887879.db2.gz RMSZOYVBAZOVOT-UHFFFAOYSA-N -1 0 339.391 3.636 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)Oc1ccc2oc3ccccc3c2c1 ZINC000736384877 599888820 /nfs/dbraw/zinc/88/88/20/599888820.db2.gz KGIYJCJVMQUVTB-INIZCTEOSA-N -1 0 327.336 3.784 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000736632585 599889623 /nfs/dbraw/zinc/88/96/23/599889623.db2.gz GHEDXLZSASEOPA-KSSFIOAISA-N -1 0 340.423 3.823 20 0 EHADRM CCN(CC)c1ccc(NC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000737093787 599892671 /nfs/dbraw/zinc/89/26/71/599892671.db2.gz JSKOGEHAMSOOMV-UHFFFAOYSA-N -1 0 327.384 3.875 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)NC2(c3ccccc3)CC2)cc1 ZINC000737331497 599893313 /nfs/dbraw/zinc/89/33/13/599893313.db2.gz KIBPJCRGEFYMDI-UHFFFAOYSA-N -1 0 325.368 3.612 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2nc(-c3ccccn3)cs2)c1 ZINC000740035729 599894403 /nfs/dbraw/zinc/89/44/03/599894403.db2.gz FTGFMXWEEMEFLD-UHFFFAOYSA-N -1 0 340.364 3.547 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000679400383 599895257 /nfs/dbraw/zinc/89/52/57/599895257.db2.gz NFDYQECWXGJCOL-IPMKNSEASA-N -1 0 337.419 3.799 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)[C@@H](NC(=O)[O-])C(C)C)ccc21 ZINC000736455729 599896373 /nfs/dbraw/zinc/89/63/73/599896373.db2.gz SKAJXMGMHWKPLS-INIZCTEOSA-N -1 0 331.416 3.528 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N(Cc2ccco2)CC(F)(F)F)c1 ZINC000740027371 599897129 /nfs/dbraw/zinc/89/71/29/599897129.db2.gz QKOYWHUIIKQHFD-UHFFFAOYSA-N -1 0 342.273 3.574 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N[C@@H](c2ccccc2)c2ccncc2)c1 ZINC000740030076 599897151 /nfs/dbraw/zinc/89/71/51/599897151.db2.gz VYNPYULGLYGPMQ-SFHVURJKSA-N -1 0 347.374 3.691 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl ZINC000736593981 599898079 /nfs/dbraw/zinc/89/80/79/599898079.db2.gz ZKOAZSHLYAQUSD-RNCFNFMXSA-N -1 0 347.242 3.505 20 0 EHADRM Cc1ccc(C(=O)N(CCC(=O)[O-])Cc2ccccc2)cc1Cl ZINC000675946448 599899580 /nfs/dbraw/zinc/89/95/80/599899580.db2.gz DYFLUBADKGIQDL-UHFFFAOYSA-N -1 0 331.799 3.766 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N(Cc2ccco2)c2ccccn2)c1 ZINC000740026997 599905101 /nfs/dbraw/zinc/90/51/01/599905101.db2.gz JGDAXZPREFRLOY-UHFFFAOYSA-N -1 0 337.335 3.612 20 0 EHADRM CCc1cccc2c1OCC[C@H]2NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000737272277 599911939 /nfs/dbraw/zinc/91/19/39/599911939.db2.gz LRZBLCCUDZFZSA-MRXNPFEDSA-N -1 0 340.379 3.593 20 0 EHADRM CC[C@@H](COC(=O)c1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000736904522 599913433 /nfs/dbraw/zinc/91/34/33/599913433.db2.gz KXTKVMXXSQVQNN-AWEZNQCLSA-N -1 0 328.364 3.501 20 0 EHADRM C[C@H](CN(C(=O)c1cc2c(cccc2Cl)s1)C1CC1)C(=O)[O-] ZINC000736565993 599921047 /nfs/dbraw/zinc/92/10/47/599921047.db2.gz AXTDYGJOYMNQFR-SECBINFHSA-N -1 0 337.828 3.880 20 0 EHADRM O=C([O-])CC[C@@H](NC(=S)Nc1ccccc1F)c1ccccc1 ZINC000739662750 599927989 /nfs/dbraw/zinc/92/79/89/599927989.db2.gz YCMNVLQVRWOXTI-CQSZACIVSA-N -1 0 332.400 3.718 20 0 EHADRM COc1ccccc1[C@@H]1CCCCN1C(=O)c1cccc(C(=O)[O-])c1 ZINC000649455272 599929818 /nfs/dbraw/zinc/92/98/18/599929818.db2.gz RQXPBXCYZJJIKM-KRWDZBQOSA-N -1 0 339.391 3.761 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N(C[C@@H](C)C(=O)[O-])C3CC3)[nH]c2c1 ZINC000736566071 599931147 /nfs/dbraw/zinc/93/11/47/599931147.db2.gz HJJRXBCIFCJNOU-GFCCVEGCSA-N -1 0 328.412 3.617 20 0 EHADRM CCCCN(Cc1ccccc1Cl)C(=O)c1ccc(C(=O)[O-])cn1 ZINC000573396896 599931871 /nfs/dbraw/zinc/93/18/71/599931871.db2.gz VCJVPHQUIXQLND-UHFFFAOYSA-N -1 0 346.814 3.876 20 0 EHADRM COC(=O)c1ccc(NCc2c3ccccc3sc2C(=O)[O-])cc1 ZINC000737698772 599936394 /nfs/dbraw/zinc/93/63/94/599936394.db2.gz BRCJQAIXLDUXGI-UHFFFAOYSA-N -1 0 341.388 3.998 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)c1ccc2ccccc2n1)c1ccccc1 ZINC000193449528 599937894 /nfs/dbraw/zinc/93/78/94/599937894.db2.gz HSTSOTYIUGOXGC-KRWDZBQOSA-N -1 0 334.375 3.571 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000485465920 599939846 /nfs/dbraw/zinc/93/98/46/599939846.db2.gz WEUGWYHVCAJVKX-KRWDZBQOSA-N -1 0 347.455 3.681 20 0 EHADRM COc1ccccc1C(=O)OCc1c2ccccc2sc1C(=O)[O-] ZINC000738115622 599943536 /nfs/dbraw/zinc/94/35/36/599943536.db2.gz LVZAQJHFZFXZNL-UHFFFAOYSA-N -1 0 342.372 3.965 20 0 EHADRM O=C([O-])c1sc2ccccc2c1COC(=O)c1cc(Cl)c[nH]1 ZINC000740290328 599945051 /nfs/dbraw/zinc/94/50/51/599945051.db2.gz LIAFODWEINNERS-UHFFFAOYSA-N -1 0 335.768 3.938 20 0 EHADRM O=C([O-])c1cccc(OC(=O)[C@@H](OC2CCCC2)c2ccccc2)c1 ZINC000740227707 599968123 /nfs/dbraw/zinc/96/81/23/599968123.db2.gz QVPQUSWEWGPWGP-SFHVURJKSA-N -1 0 340.375 3.991 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CN(C)c1cccc(OC(F)(F)F)c1 ZINC000738957109 599979309 /nfs/dbraw/zinc/97/93/09/599979309.db2.gz GXHHPIDAVXJYDD-UHFFFAOYSA-N -1 0 329.274 3.821 20 0 EHADRM C[C@@H](OC(=O)Cc1coc(-c2cccs2)n1)c1ccc(C(=O)[O-])o1 ZINC000736694471 599991898 /nfs/dbraw/zinc/99/18/98/599991898.db2.gz VNNRDMAIQGSQGC-SECBINFHSA-N -1 0 347.348 3.541 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2csc3ccccc23)c1 ZINC000321931326 599999605 /nfs/dbraw/zinc/99/96/05/599999605.db2.gz KWEXPUVHVAVNBW-UHFFFAOYSA-N -1 0 327.361 3.860 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000736321457 600009693 /nfs/dbraw/zinc/00/96/93/600009693.db2.gz DGYGAAQMESDMAD-UHFFFAOYSA-N -1 0 344.386 3.552 20 0 EHADRM COc1ccccc1[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000738118520 600015668 /nfs/dbraw/zinc/01/56/68/600015668.db2.gz CMRKRYIVGRJSMT-LBPRGKRZSA-N -1 0 328.368 3.585 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c(C)c1)c1ccc(OC)cc1 ZINC000736913369 600017497 /nfs/dbraw/zinc/01/74/97/600017497.db2.gz AZAWAHSSMKYFCX-QGZVFWFLSA-N -1 0 342.395 3.975 20 0 EHADRM O=C([O-])c1cccc(COC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)c1 ZINC000740220747 600021557 /nfs/dbraw/zinc/02/15/57/600021557.db2.gz HWIWRSBEEIBIQO-KBPBESRZSA-N -1 0 332.302 3.510 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)NC2CCCCCC2)c1 ZINC000739874003 600021583 /nfs/dbraw/zinc/02/15/83/600021583.db2.gz WTVHTDVCNAYHPN-UHFFFAOYSA-N -1 0 336.457 3.849 20 0 EHADRM Cc1sc(NC(=O)N(C)[C@H](C)c2cccc(O)c2)c(C(=O)[O-])c1C ZINC000738996213 600022479 /nfs/dbraw/zinc/02/24/79/600022479.db2.gz DFEWWILHXYHJII-SNVBAGLBSA-N -1 0 348.424 3.994 20 0 EHADRM CC(C)[C@H]1CCCC[C@@H]1NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000326095238 600023563 /nfs/dbraw/zinc/02/35/63/600023563.db2.gz BFQPRJIHQNCERR-SJORKVTESA-N -1 0 330.428 3.625 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)c1 ZINC000739888376 600023947 /nfs/dbraw/zinc/02/39/47/600023947.db2.gz FGVUFSAKFOAJHO-HOTGVXAUSA-N -1 0 330.767 3.676 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)c2csc(-c3cccs3)n2)c1 ZINC000739888490 600026887 /nfs/dbraw/zinc/02/68/87/600026887.db2.gz MYDFMKONOJQNOU-UHFFFAOYSA-N -1 0 345.401 3.718 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)CSc2ccccc2Cl)c1 ZINC000739887868 600029088 /nfs/dbraw/zinc/02/90/88/600029088.db2.gz DGPRHCAWXRVVOV-UHFFFAOYSA-N -1 0 336.796 3.665 20 0 EHADRM Cc1c(Cl)cccc1NC(=S)NC1CCC(C(=O)[O-])CC1 ZINC000738291305 600034024 /nfs/dbraw/zinc/03/40/24/600034024.db2.gz ONTFBEQYTVINIC-UHFFFAOYSA-N -1 0 326.849 3.578 20 0 EHADRM O=C([O-])C1CCC(NC(=S)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000739563800 600034194 /nfs/dbraw/zinc/03/41/94/600034194.db2.gz MJHBROIWZBJEBE-UHFFFAOYSA-N -1 0 347.267 3.923 20 0 EHADRM CCCCCc1nnc(NC(=O)CCc2ccc(C(=O)[O-])cc2)s1 ZINC000736991840 600034401 /nfs/dbraw/zinc/03/44/01/600034401.db2.gz PYOMHAPUGXDIKC-UHFFFAOYSA-N -1 0 347.440 3.540 20 0 EHADRM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2sc(C)c(C)c2C(=O)[O-])c1 ZINC000738095473 600034876 /nfs/dbraw/zinc/03/48/76/600034876.db2.gz IKEOELFKVGGRRK-KBPBESRZSA-N -1 0 345.420 3.814 20 0 EHADRM CC(C)[C@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000236681771 600035623 /nfs/dbraw/zinc/03/56/23/600035623.db2.gz MQPMHQZVLQQNAZ-IBGZPJMESA-N -1 0 343.398 3.970 20 0 EHADRM CCN(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000737106664 600037693 /nfs/dbraw/zinc/03/76/93/600037693.db2.gz UKFSULPBIXTJCT-UHFFFAOYSA-N -1 0 325.408 3.675 20 0 EHADRM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(Cl)cc2C(=O)[O-])c1 ZINC000738097822 600038034 /nfs/dbraw/zinc/03/80/34/600038034.db2.gz XRRBIPZKKVEPET-KBPBESRZSA-N -1 0 345.782 3.789 20 0 EHADRM CC(C)COc1ccc(CC(=O)Nc2cccc(NC(=O)[O-])c2)cc1 ZINC000736445270 600038547 /nfs/dbraw/zinc/03/85/47/600038547.db2.gz DSWKUWUXDLOUIE-UHFFFAOYSA-N -1 0 342.395 3.993 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N2CCCc3cc(F)c(F)cc32)cc1 ZINC000740123868 600039037 /nfs/dbraw/zinc/03/90/37/600039037.db2.gz QTQZWNZSMCCBFV-UHFFFAOYSA-N -1 0 345.345 3.575 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)NCc2csc3ccccc23)cc1 ZINC000537369183 600039406 /nfs/dbraw/zinc/03/94/06/600039406.db2.gz OSDLUNXGAPXMSF-UHFFFAOYSA-N -1 0 339.416 3.849 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)/C=C/c1ccc(Cl)s1)C2 ZINC000317350471 600040938 /nfs/dbraw/zinc/04/09/38/600040938.db2.gz RLQGUQDBSMTQDT-GQCTYLIASA-N -1 0 333.796 3.655 20 0 EHADRM Cc1oc(CN(C)C(=O)N[C@@H]2CCCC[C@@H]2C(C)C)cc1C(=O)[O-] ZINC000738968284 600041732 /nfs/dbraw/zinc/04/17/32/600041732.db2.gz XVOHHTUKLPPHJJ-GDBMZVCRSA-N -1 0 336.432 3.642 20 0 EHADRM Cc1ccc2cccc(NC(=O)CCc3ccc(C(=O)[O-])cc3)c2n1 ZINC000517915012 600043964 /nfs/dbraw/zinc/04/39/64/600043964.db2.gz IBTVETLMMMFKGV-UHFFFAOYSA-N -1 0 334.375 3.813 20 0 EHADRM Cc1cc(C(=O)[O-])c2sc(NC(=O)C[C@@H]3CCC[C@@H](C)C3)nc2n1 ZINC000738340811 600049050 /nfs/dbraw/zinc/04/90/50/600049050.db2.gz BOLGYABBKWCOCN-MWLCHTKSSA-N -1 0 347.440 3.853 20 0 EHADRM Cc1oc(CSc2nnc(Cc3cccs3)o2)cc1C(=O)[O-] ZINC000738976035 600056696 /nfs/dbraw/zinc/05/66/96/600056696.db2.gz QHNADCUCPKHZPX-UHFFFAOYSA-N -1 0 336.394 3.614 20 0 EHADRM CC[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000236930547 600060640 /nfs/dbraw/zinc/06/06/40/600060640.db2.gz QBHZFSJBVVDKSD-MAUKXSAKSA-N -1 0 325.408 3.903 20 0 EHADRM O=C([O-])[C@H]1C[C@H]1C(=O)Oc1ccccc1-c1nc2ccccc2s1 ZINC000739561018 600060926 /nfs/dbraw/zinc/06/09/26/600060926.db2.gz UREDQCMCEZWIFG-NWDGAFQWSA-N -1 0 339.372 3.589 20 0 EHADRM Cc1cccc(C[C@H](CNC(=O)c2ccc(C(F)F)cc2)C(=O)[O-])c1 ZINC000738712121 600067973 /nfs/dbraw/zinc/06/79/73/600067973.db2.gz UKBNMJNPHXXDAM-MRXNPFEDSA-N -1 0 347.361 3.606 20 0 EHADRM CC[C@@H](CC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)c1ccccc1 ZINC000236935877 600069408 /nfs/dbraw/zinc/06/94/08/600069408.db2.gz VOZGIZPTHPPAOQ-LBPRGKRZSA-N -1 0 337.379 3.784 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cnn(-c3ccccc3Cl)c2)s1 ZINC000740114896 600073735 /nfs/dbraw/zinc/07/37/35/600073735.db2.gz NHVUCRBHDSFPBH-UHFFFAOYSA-N -1 0 347.783 3.538 20 0 EHADRM CCc1ccc2c(CNc3cc(C(=O)[O-])ccc3F)cc(=O)oc2c1 ZINC000737268342 600076016 /nfs/dbraw/zinc/07/60/16/600076016.db2.gz XVVJGLWJWFAYNZ-UHFFFAOYSA-N -1 0 341.338 3.805 20 0 EHADRM CCOC(=O)Nc1cccc(OCc2ccc(F)cc2C(=O)[O-])c1 ZINC000737146796 600079638 /nfs/dbraw/zinc/07/96/38/600079638.db2.gz OYMMRQWIFZGPOW-UHFFFAOYSA-N -1 0 333.315 3.671 20 0 EHADRM Cc1oc(-c2cccs2)nc1CN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000326374427 600084942 /nfs/dbraw/zinc/08/49/42/600084942.db2.gz WDZQNVIDSAGNNR-UHFFFAOYSA-N -1 0 340.404 3.926 20 0 EHADRM O=C([O-])CCC(=O)Nc1ccc(-c2nc3c(cccc3Cl)[nH]2)cc1 ZINC000338186802 600085240 /nfs/dbraw/zinc/08/52/40/600085240.db2.gz BXKDEVQYNVVDBK-UHFFFAOYSA-N -1 0 343.770 3.687 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2ccc(OCC3CC3)cc2)ccc1F ZINC000740012689 600086787 /nfs/dbraw/zinc/08/67/87/600086787.db2.gz RSBVFYUSMLDJKK-UHFFFAOYSA-N -1 0 344.342 3.957 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736627570 600087116 /nfs/dbraw/zinc/08/71/16/600087116.db2.gz STAUDUAGMAVNCO-SNVBAGLBSA-N -1 0 334.322 3.872 20 0 EHADRM CCc1c(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cnn1C(C)(C)C ZINC000737250640 600087716 /nfs/dbraw/zinc/08/77/16/600087716.db2.gz KAXMMANZZHNICC-UHFFFAOYSA-N -1 0 348.378 3.682 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)ccc1F ZINC000740005338 600088310 /nfs/dbraw/zinc/08/83/10/600088310.db2.gz GTVBYBYUCRKLGN-CHWSQXEVSA-N -1 0 332.306 3.797 20 0 EHADRM C[C@H](c1nnc(-c2cccs2)o1)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736729168 600089207 /nfs/dbraw/zinc/08/92/07/600089207.db2.gz XCMZOWACRQRHAT-SNVBAGLBSA-N -1 0 341.392 3.573 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2ccc(OC(F)F)cc2)ccc1F ZINC000740011484 600089561 /nfs/dbraw/zinc/08/95/61/600089561.db2.gz DGXRBTYSARLLEH-UHFFFAOYSA-N -1 0 340.257 3.769 20 0 EHADRM C[C@H](c1ccc(C(=O)[O-])o1)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000570851696 600102092 /nfs/dbraw/zinc/10/20/92/600102092.db2.gz MTVXYYWRMXMQLQ-BZNIZROVSA-N -1 0 335.787 3.766 20 0 EHADRM Cc1cc(CN2CCO[C@@H](c3ccccc3Cl)C2)oc1C(=O)[O-] ZINC000652409685 600102145 /nfs/dbraw/zinc/10/21/45/600102145.db2.gz IIPVAVRQTZELLT-OAHLLOKOSA-N -1 0 335.787 3.513 20 0 EHADRM CC(C)Oc1ccccc1Cc1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000736492871 600111401 /nfs/dbraw/zinc/11/14/01/600111401.db2.gz LJTQNHANNANHHM-UHFFFAOYSA-N -1 0 338.363 3.813 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)Nc1cccc(OC(F)F)c1)C2 ZINC000740199137 600113350 /nfs/dbraw/zinc/11/33/50/600113350.db2.gz HMVNUDHJAYDCEH-UHFFFAOYSA-N -1 0 348.305 3.534 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)/C=C/c1ccc(Cl)s1 ZINC000739214543 600113367 /nfs/dbraw/zinc/11/33/67/600113367.db2.gz FJTYVMDXYGHTQS-GQCTYLIASA-N -1 0 340.759 3.995 20 0 EHADRM O=C([O-])c1ccc(-c2noc(CCc3cccc(Cl)c3)n2)cc1 ZINC000740101655 600115236 /nfs/dbraw/zinc/11/52/36/600115236.db2.gz QGGKFTJXPOUYEB-UHFFFAOYSA-N -1 0 328.755 3.873 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)OC(=O)CCCC(C)(C)C)c(C)c1C(=O)[O-] ZINC000738238756 600119223 /nfs/dbraw/zinc/11/92/23/600119223.db2.gz YTSNXQFINJNOMU-LBPRGKRZSA-N -1 0 337.416 3.661 20 0 EHADRM CC(C)N(Cc1ccccc1F)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000736471036 600120785 /nfs/dbraw/zinc/12/07/85/600120785.db2.gz DZXSOAGYXSMARJ-UHFFFAOYSA-N -1 0 344.386 3.895 20 0 EHADRM CC[C@](NC(=O)c1cc(C)nc2ccccc21)(C(=O)[O-])c1ccccc1 ZINC000485388416 600127800 /nfs/dbraw/zinc/12/78/00/600127800.db2.gz WGNCPEPUECMSRM-OAQYLSRUSA-N -1 0 348.402 3.663 20 0 EHADRM Cc1ccc(OC(=O)c2ccc(Br)s2)c(C(=O)[O-])c1 ZINC000738637551 600132389 /nfs/dbraw/zinc/13/23/89/600132389.db2.gz IROUDWGLWVGMIF-UHFFFAOYSA-N -1 0 341.182 3.736 20 0 EHADRM Cc1ccc(-c2nc(C(=O)Oc3ccc(C)cc3C(=O)[O-])cs2)o1 ZINC000738640226 600132779 /nfs/dbraw/zinc/13/27/79/600132779.db2.gz WQOZEGMHDTXAGL-UHFFFAOYSA-N -1 0 343.360 3.937 20 0 EHADRM CC[C@](NC(=O)/C=C\Sc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000736907824 600133700 /nfs/dbraw/zinc/13/37/00/600133700.db2.gz STVRSCGOVUANIG-FNDLEWIFSA-N -1 0 341.432 3.799 20 0 EHADRM CC[C@@](NC(=O)/C=C\Sc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000736907833 600133750 /nfs/dbraw/zinc/13/37/50/600133750.db2.gz STVRSCGOVUANIG-QQBSYFJQSA-N -1 0 341.432 3.799 20 0 EHADRM Cc1ccc(OC(=O)[C@@H]2COc3ccc(Cl)cc3C2)c(C(=O)[O-])c1 ZINC000738637427 600134883 /nfs/dbraw/zinc/13/48/83/600134883.db2.gz CZOKLZLCJIBZJK-LBPRGKRZSA-N -1 0 346.766 3.503 20 0 EHADRM Cc1c(NC(=O)Cc2ccccc2Br)cccc1C(=O)[O-] ZINC000675965482 600153869 /nfs/dbraw/zinc/15/38/69/600153869.db2.gz GNPJNVRGAJVXPN-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM CSc1ccc(C)c(C(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)c1 ZINC000486373145 600156455 /nfs/dbraw/zinc/15/64/55/600156455.db2.gz PEMVCXRMUXTZNH-QGZVFWFLSA-N -1 0 343.448 3.624 20 0 EHADRM CC(C)(CNc1ccc(C(=O)[O-])nn1)c1c(Cl)cccc1Cl ZINC000736325210 600162030 /nfs/dbraw/zinc/16/20/30/600162030.db2.gz ZWGKVRCYWSZQLG-UHFFFAOYSA-N -1 0 340.210 3.871 20 0 EHADRM CC(C)[C@H](SCc1ccccc1)C(=O)OCc1cc(C(=O)[O-])co1 ZINC000736392641 600164157 /nfs/dbraw/zinc/16/41/57/600164157.db2.gz VIOZCVGGLUQCEL-INIZCTEOSA-N -1 0 348.420 3.979 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)c2ccc3ccccc3c2)C(=O)[O-])cc1 ZINC000486390506 600164371 /nfs/dbraw/zinc/16/43/71/600164371.db2.gz UVWSXJINWYJZBM-LJQANCHMSA-N -1 0 333.387 3.746 20 0 EHADRM Cc1ccc([C@H](CNC(=O)CC(C)(C)c2ccccc2)C(=O)[O-])cc1 ZINC000486400918 600165106 /nfs/dbraw/zinc/16/51/06/600165106.db2.gz JDEAKRUERVXPID-SFHVURJKSA-N -1 0 339.435 3.647 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)c2c[nH]cc2-c2ccccc2)C(=O)[O-])cc1 ZINC000362814602 600165588 /nfs/dbraw/zinc/16/55/88/600165588.db2.gz QCMGAIWZIGGVMX-GOSISDBHSA-N -1 0 348.402 3.588 20 0 EHADRM CCc1cc2c(ncnc2NC[C@@H](C(=O)[O-])c2ccc(C)cc2)s1 ZINC000737252362 600167297 /nfs/dbraw/zinc/16/72/97/600167297.db2.gz NFTXFZUYNRMVRB-OAHLLOKOSA-N -1 0 341.436 3.842 20 0 EHADRM CC[C@@](NC(=O)c1cc(C)n(C(C)C)c1C)(C(=O)[O-])c1ccccc1 ZINC000262396126 600170000 /nfs/dbraw/zinc/17/00/00/600170000.db2.gz GSFRGUWSTWPOTR-FQEVSTJZSA-N -1 0 342.439 3.806 20 0 EHADRM Cc1[nH]c(C(=O)N(Cc2ccco2)c2ccccc2)c(C)c1C(=O)[O-] ZINC000738237445 600171958 /nfs/dbraw/zinc/17/19/58/600171958.db2.gz PTLBHMFHNHTAOO-UHFFFAOYSA-N -1 0 338.363 3.770 20 0 EHADRM Cc1oc(CN(C)C(=O)N[C@@H](C)c2cc(C)cc(C)c2)cc1C(=O)[O-] ZINC000738363945 600173290 /nfs/dbraw/zinc/17/32/90/600173290.db2.gz PCJGMUVJKGLUAW-ZDUSSCGKSA-N -1 0 344.411 3.806 20 0 EHADRM O=C([O-])c1occc1COC(=O)c1sccc1SC(F)F ZINC000740278979 600176064 /nfs/dbraw/zinc/17/60/64/600176064.db2.gz MGYZYCOLVYQETQ-UHFFFAOYSA-N -1 0 334.321 3.711 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)N2CC[C@H](c3ccccc3F)C2)c1 ZINC000740141102 600177689 /nfs/dbraw/zinc/17/76/89/600177689.db2.gz ZGMUAGJCKUBJJB-LBPRGKRZSA-N -1 0 346.333 3.684 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000736759077 600182073 /nfs/dbraw/zinc/18/20/73/600182073.db2.gz GZGFXLYFVGOBTN-WMLDXEAASA-N -1 0 338.407 3.724 20 0 EHADRM CCN(C(=O)Nc1ccc(C(=O)[O-])cc1F)[C@@H](C)c1cccnc1 ZINC000737059928 600183287 /nfs/dbraw/zinc/18/32/87/600183287.db2.gz KJJXMTBDZWLTTB-NSHDSACASA-N -1 0 331.347 3.534 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000236903997 600189416 /nfs/dbraw/zinc/18/94/16/600189416.db2.gz YBPACGIODWMEPI-MRXNPFEDSA-N -1 0 329.421 3.572 20 0 EHADRM CCCCc1nc(COC(=O)c2ccccc2NC(=O)[O-])cs1 ZINC000737005019 600192406 /nfs/dbraw/zinc/19/24/06/600192406.db2.gz ZCISUOYBYWAHIF-UHFFFAOYSA-N -1 0 334.397 3.933 20 0 EHADRM C/C(=C/C(=O)Nc1ccc(N(C)C(=O)[O-])cc1)c1cccc(F)c1 ZINC000736121131 600195807 /nfs/dbraw/zinc/19/58/07/600195807.db2.gz OSFOQLCRGRQZBR-BENRWUELSA-N -1 0 328.343 3.982 20 0 EHADRM O=C([O-])CN(C(=O)c1[nH]c2ccc(F)cc2c1Cl)c1ccccc1 ZINC000739784910 600198498 /nfs/dbraw/zinc/19/84/98/600198498.db2.gz BBHVTKNTNFRVDV-UHFFFAOYSA-N -1 0 346.745 3.692 20 0 EHADRM Cc1cc(OCC(=O)Nc2ccc(C(=O)[O-])cc2F)ccc1C(C)C ZINC000479520037 600199474 /nfs/dbraw/zinc/19/94/74/600199474.db2.gz VUNBRASTAMWLKE-UHFFFAOYSA-N -1 0 345.370 3.973 20 0 EHADRM COc1ccccc1C/C(C)=C\C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000738124588 600202008 /nfs/dbraw/zinc/20/20/08/600202008.db2.gz SFYZZTVHFQZBDI-BENRWUELSA-N -1 0 343.354 3.660 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000237379557 600206613 /nfs/dbraw/zinc/20/66/13/600206613.db2.gz VVGZCYNWNFAEOR-HNAYVOBHSA-N -1 0 337.419 3.527 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000740078868 600207595 /nfs/dbraw/zinc/20/75/95/600207595.db2.gz UYQLQBRHZFDHDY-UWVGGRQHSA-N -1 0 335.281 3.544 20 0 EHADRM Cc1cc(C)cc(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)c1 ZINC000738363650 600212006 /nfs/dbraw/zinc/21/20/06/600212006.db2.gz MLKABSQSDJZEAC-UHFFFAOYSA-N -1 0 335.306 3.855 20 0 EHADRM Cc1cc(Nc2ccc(OCCCC(=O)[O-])cc2)nc(C2CC2)n1 ZINC000738463478 600214725 /nfs/dbraw/zinc/21/47/25/600214725.db2.gz GVDSCASVQMFADS-UHFFFAOYSA-N -1 0 327.384 3.650 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)/C=C/c2ccc(Cl)s2)c2ccccc21 ZINC000177467164 600217597 /nfs/dbraw/zinc/21/75/97/600217597.db2.gz BKMUWFNHQXTHNO-WAFBPQNNSA-N -1 0 333.796 3.630 20 0 EHADRM Cc1cc(CN2CCSC[C@H]2c2ccc(C)cc2)oc1C(=O)[O-] ZINC000563280502 600217904 /nfs/dbraw/zinc/21/79/04/600217904.db2.gz WDQOPYKBNXDDQV-INIZCTEOSA-N -1 0 331.437 3.885 20 0 EHADRM CC(=O)Nc1ccc(NC(=O)Nc2cccc(NC(=O)[O-])c2)cc1C ZINC000736160454 600225937 /nfs/dbraw/zinc/22/59/37/600225937.db2.gz YCJOGJFJURKOEI-UHFFFAOYSA-N -1 0 342.355 3.687 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)CSc2ccccc2Cl)c2ccccc21 ZINC000177473772 600225992 /nfs/dbraw/zinc/22/59/92/600225992.db2.gz ORDZHGOEQZIAID-GFCCVEGCSA-N -1 0 347.823 3.647 20 0 EHADRM Cc1ccc(C[C@@H]2CCCN2C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000738270616 600226789 /nfs/dbraw/zinc/22/67/89/600226789.db2.gz TXMBHSJWFLDCRU-SFHVURJKSA-N -1 0 338.407 3.932 20 0 EHADRM CCOCc1cccc(NC(=O)Nc2cccc(NC(=O)[O-])c2)c1 ZINC000737177370 600232272 /nfs/dbraw/zinc/23/22/72/600232272.db2.gz GPXZOPKOWOPODU-UHFFFAOYSA-N -1 0 329.356 3.957 20 0 EHADRM Cc1cc(/C=C\C(=O)N2CCC[C@H]2C(=O)[O-])c(C)n1C1CCCCC1 ZINC000738378408 600236313 /nfs/dbraw/zinc/23/63/13/600236313.db2.gz GENCLJMFZOZAPL-LENZSSGSSA-N -1 0 344.455 3.699 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)CCc1cc(Cl)cs1 ZINC000740188211 600247267 /nfs/dbraw/zinc/24/72/67/600247267.db2.gz INDMEOFIRMMMDJ-UHFFFAOYSA-N -1 0 335.812 3.622 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCc2cc(Cl)cs2)ccc1F ZINC000739251106 600247358 /nfs/dbraw/zinc/24/73/58/600247358.db2.gz GZNYVBCNKOAPBB-UHFFFAOYSA-N -1 0 327.764 3.810 20 0 EHADRM Cc1ccc(N2CCCC2)c(C(=O)Nc2ccc(C(=O)[O-])s2)c1 ZINC000738617488 600249152 /nfs/dbraw/zinc/24/91/52/600249152.db2.gz WNBLQCGDXYAGMI-UHFFFAOYSA-N -1 0 330.409 3.607 20 0 EHADRM Cc1ccc2[nH]c(C(=O)Nc3ccc4[nH]nc(C(=O)[O-])c4c3)cc2c1C ZINC000237810902 600254900 /nfs/dbraw/zinc/25/49/00/600254900.db2.gz FYDCMWSZDUXPQJ-UHFFFAOYSA-N -1 0 348.362 3.612 20 0 EHADRM COc1ccc(NC(=O)c2cc3c(ccc(C)c3C)[nH]2)c(C(=O)[O-])c1 ZINC000738034281 600256637 /nfs/dbraw/zinc/25/66/37/600256637.db2.gz LCMFYOTVPVLUIF-UHFFFAOYSA-N -1 0 338.363 3.744 20 0 EHADRM CC(C)c1cc(C(=O)NCc2c3ccccc3sc2C(=O)[O-])on1 ZINC000676019420 600259046 /nfs/dbraw/zinc/25/90/46/600259046.db2.gz NIUMRPNADWYRQB-UHFFFAOYSA-N -1 0 344.392 3.641 20 0 EHADRM Cc1[nH]c(C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)c(C)c1C(=O)[O-] ZINC000738160494 600275552 /nfs/dbraw/zinc/27/55/52/600275552.db2.gz OWLPDOMYQLDUED-ZDUSSCGKSA-N -1 0 346.814 3.613 20 0 EHADRM COC(=O)c1ccc([C@H](C)Sc2nc3ccc(C(=O)[O-])cc3o2)o1 ZINC000737688267 600278485 /nfs/dbraw/zinc/27/84/85/600278485.db2.gz LEVNYNAFAXZSMK-QMMMGPOBSA-N -1 0 347.348 3.759 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)NCCCc2ccccc2)c1 ZINC000322345113 600283389 /nfs/dbraw/zinc/28/33/89/600283389.db2.gz DANLFMPRJVKCIO-UHFFFAOYSA-N -1 0 332.787 3.793 20 0 EHADRM CCC(CC)N(CCOC)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000322867897 600286410 /nfs/dbraw/zinc/28/64/10/600286410.db2.gz XBIZHKKVKPKXHH-UHFFFAOYSA-N -1 0 342.823 3.707 20 0 EHADRM COc1ccc(C)cc1CNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000737974142 600287003 /nfs/dbraw/zinc/28/70/03/600287003.db2.gz YDLLEBJNKXVHGF-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N(Cc2cccnc2)C2CC2)c1 ZINC000740074576 600287758 /nfs/dbraw/zinc/28/77/58/600287758.db2.gz SPMQUFKRFPAJNI-UHFFFAOYSA-N -1 0 345.786 3.630 20 0 EHADRM CCc1ccc([C@H](C)C(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000737258222 600289591 /nfs/dbraw/zinc/28/95/91/600289591.db2.gz ZEFQLLADMYGNHQ-ZDUSSCGKSA-N -1 0 326.396 3.759 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(CNC(=O)[O-])cc2)c(C)n1C(C)C ZINC000738335094 600308060 /nfs/dbraw/zinc/30/80/60/600308060.db2.gz AMENMVQQDACEPQ-UHFFFAOYSA-N -1 0 329.400 3.706 20 0 EHADRM CN(Cc1ccc(NCC(=O)Nc2ccccc2Cl)cc1)C(=O)[O-] ZINC000737485734 600314867 /nfs/dbraw/zinc/31/48/67/600314867.db2.gz DGSHNPWIOHUXNV-UHFFFAOYSA-N -1 0 347.802 3.500 20 0 EHADRM Cn1ccc2c1cccc2C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000739040341 600328999 /nfs/dbraw/zinc/32/89/99/600328999.db2.gz XWHKNFKGHZBORI-MRXNPFEDSA-N -1 0 343.766 3.814 20 0 EHADRM Cc1cc(CN2[C@H](C)CO[C@@H](c3ccccc3)[C@@H]2C)oc1C(=O)[O-] ZINC000738382843 600332157 /nfs/dbraw/zinc/33/21/57/600332157.db2.gz MIROAUDWGXZFFX-QWQRMKEZSA-N -1 0 329.396 3.637 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)Nc2cccc3c2CCCC3)cc1 ZINC000739990452 600334918 /nfs/dbraw/zinc/33/49/18/600334918.db2.gz DOWABWIGQARMJB-UHFFFAOYSA-N -1 0 339.395 3.977 20 0 EHADRM Cc1ccc(F)c(NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)c1 ZINC000738603334 600334984 /nfs/dbraw/zinc/33/49/84/600334984.db2.gz KNBSGASWLPHTBG-UHFFFAOYSA-N -1 0 331.347 3.888 20 0 EHADRM CC[C@H](C)Oc1ccc(NC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000736887628 600337482 /nfs/dbraw/zinc/33/74/82/600337482.db2.gz UEHMHPFNFLRIOJ-BBRMVZONSA-N -1 0 346.427 3.583 20 0 EHADRM O=C([O-])Nc1ccc(N[C@@H]2CCN(c3ccccc3Cl)C2=O)cc1 ZINC000738667722 600350171 /nfs/dbraw/zinc/35/01/71/600350171.db2.gz SSLHBHGSPNXRGR-CQSZACIVSA-N -1 0 345.786 3.647 20 0 EHADRM C[C@@H](SCc1noc(CCC(=O)[O-])n1)c1cccc(Cl)c1 ZINC000736709274 600351265 /nfs/dbraw/zinc/35/12/65/600351265.db2.gz OLPYVXZHQAVEHH-SECBINFHSA-N -1 0 326.805 3.735 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)N2CCC[C@@H]2C2CCCC2)cc1 ZINC000739988255 600351686 /nfs/dbraw/zinc/35/16/86/600351686.db2.gz MCMAWJKAGDHSTG-MRXNPFEDSA-N -1 0 331.416 3.641 20 0 EHADRM Cc1ccccc1C[C@@H](C)NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000738770328 600353895 /nfs/dbraw/zinc/35/38/95/600353895.db2.gz ZKVVANQAMUDBLG-CQSZACIVSA-N -1 0 341.411 3.515 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)CC/C=C\c1ccccc1 ZINC000737866451 600367256 /nfs/dbraw/zinc/36/72/56/600367256.db2.gz MPBVRXUOQWOJNR-UITAMQMPSA-N -1 0 326.348 3.792 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC000736629525 600367908 /nfs/dbraw/zinc/36/79/08/600367908.db2.gz NVLUDGPOJODETK-SNVBAGLBSA-N -1 0 336.746 3.962 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)sc1C(=O)[O-] ZINC000738234098 600370033 /nfs/dbraw/zinc/37/00/33/600370033.db2.gz GZVCVRYTOCHMBM-UONOGXRCSA-N -1 0 344.436 3.563 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC000736618717 600371036 /nfs/dbraw/zinc/37/10/36/600371036.db2.gz SSGKDXRGHUNKEV-CJNGLKHVSA-N -1 0 330.405 3.784 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)Nc1cc(C)c(C(=O)[O-])s1 ZINC000738120221 600371539 /nfs/dbraw/zinc/37/15/39/600371539.db2.gz LJWMIPGISGOZAS-JTQLQIEISA-N -1 0 333.409 3.896 20 0 EHADRM Cc1cc(NC(=O)c2ccc(OCC3CC3)cc2)sc1C(=O)[O-] ZINC000738448872 600372308 /nfs/dbraw/zinc/37/23/08/600372308.db2.gz RKVKQSKLVWXESB-UHFFFAOYSA-N -1 0 331.393 3.796 20 0 EHADRM CC[C@@H](CC(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccc(C)cc1 ZINC000499165328 600375318 /nfs/dbraw/zinc/37/53/18/600375318.db2.gz BDBLGYLVFXHUKG-HNNXBMFYSA-N -1 0 341.407 3.981 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)c2coc(-c3ccccc3)n2)cc1 ZINC000737335842 600377185 /nfs/dbraw/zinc/37/71/85/600377185.db2.gz KPFFURVHPXVRMT-UHFFFAOYSA-N -1 0 337.335 3.708 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)[C@@H](C)c1ccsc1)C(=O)[O-] ZINC000362527366 600377324 /nfs/dbraw/zinc/37/73/24/600377324.db2.gz AIKPRRMUZSFMOC-KBPBESRZSA-N -1 0 331.437 3.601 20 0 EHADRM CCCNc1nnc(S[C@@H](C(=O)[O-])c2cccc(Cl)c2)s1 ZINC000737029247 600378065 /nfs/dbraw/zinc/37/80/65/600378065.db2.gz FJEVQRJDUWLODW-SNVBAGLBSA-N -1 0 343.861 3.931 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@@H](C)Oc1ccc(C)cc1)c1ccccc1 ZINC000736850387 600379322 /nfs/dbraw/zinc/37/93/22/600379322.db2.gz WKYVDWGRSNXLFR-CRAIPNDOSA-N -1 0 341.407 3.659 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)COc1ccc(C)cc1C)c1ccccc1 ZINC000736851094 600380000 /nfs/dbraw/zinc/38/00/00/600380000.db2.gz FOYWBGLZASRNMZ-QGZVFWFLSA-N -1 0 341.407 3.579 20 0 EHADRM Cc1sc(NC(=O)C[C@@H]2CCOc3ccccc32)c(C(=O)[O-])c1C ZINC000738397125 600380878 /nfs/dbraw/zinc/38/08/78/600380878.db2.gz BRYZZRHRSCCELR-LBPRGKRZSA-N -1 0 345.420 3.958 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1sc2ccccc2c1Cl ZINC000050195259 600381086 /nfs/dbraw/zinc/38/10/86/600381086.db2.gz MAXXZGYBMAJMGG-UHFFFAOYSA-N -1 0 325.817 3.928 20 0 EHADRM C[C@H]1Cc2ccccc2[C@H]1NC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000736823815 600381141 /nfs/dbraw/zinc/38/11/41/600381141.db2.gz CPINNWQBLWBTEW-ZBEGNZNMSA-N -1 0 325.368 3.832 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)/C=C/C1CCCCC1 ZINC000737871176 600381464 /nfs/dbraw/zinc/38/14/64/600381464.db2.gz IPZAUQADKBQZPH-QABOREQESA-N -1 0 330.380 3.835 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)c2ccc(-c3ccccc3)[nH]2)cc1 ZINC000740019733 600383868 /nfs/dbraw/zinc/38/38/68/600383868.db2.gz IDUJZUDYFYUQNO-UHFFFAOYSA-N -1 0 349.390 3.744 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1cccc(-n2cccc2)c1)c1ccccc1 ZINC000736850516 600384973 /nfs/dbraw/zinc/38/49/73/600384973.db2.gz JRGGAKMKTOSMSC-IBGZPJMESA-N -1 0 348.402 3.987 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@@H](C)c1cccc(OC)c1)c1ccccc1 ZINC000736848111 600386466 /nfs/dbraw/zinc/38/64/66/600386466.db2.gz MLINRQNXVUPCFO-KSSFIOAISA-N -1 0 341.407 3.695 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)c1cnc(C2CC2)s1)c1ccccc1 ZINC000736852775 600386787 /nfs/dbraw/zinc/38/67/87/600386787.db2.gz ZRKCNHVHMISKPM-CYBMUJFWSA-N -1 0 330.409 3.531 20 0 EHADRM Cc1cc(C)c(CCNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)c(C)c1 ZINC000738354338 600388101 /nfs/dbraw/zinc/38/81/01/600388101.db2.gz AKPNOFQGVDPOFO-UHFFFAOYSA-N -1 0 344.386 3.813 20 0 EHADRM CC[C@H](NC(=O)c1ccc(C(=O)[O-])s1)c1ccc(F)cc1F ZINC000237050499 600389458 /nfs/dbraw/zinc/38/94/58/600389458.db2.gz YQPZOIFVKOOJNI-NSHDSACASA-N -1 0 325.336 3.606 20 0 EHADRM CCCc1ccc(-c2ccc(NC(=O)CN(C)C(=O)[O-])cc2)cc1 ZINC000737045268 600391278 /nfs/dbraw/zinc/39/12/78/600391278.db2.gz QQNLKHKEFKYLKB-UHFFFAOYSA-N -1 0 326.396 3.854 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)C(C)(C)Cc2ccccc2)C(=O)[O-])cc1 ZINC000538470943 600394164 /nfs/dbraw/zinc/39/41/64/600394164.db2.gz XAOVNUUTOUZXQA-GOSISDBHSA-N -1 0 339.435 3.548 20 0 EHADRM CC(C)(C)CCC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000121837110 600396874 /nfs/dbraw/zinc/39/68/74/600396874.db2.gz LHJMCXBOJRSMCL-UHFFFAOYSA-N -1 0 328.412 3.577 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)Nc2cc(C(=O)[O-])ccc2C)s1 ZINC000120222929 600402791 /nfs/dbraw/zinc/40/27/91/600402791.db2.gz RNVNHRYQZVBTDG-UHFFFAOYSA-N -1 0 341.335 3.917 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N(CCc2ccccc2)C2CC2)c(F)c1 ZINC000740147719 600403108 /nfs/dbraw/zinc/40/31/08/600403108.db2.gz OTFUETFFOQMTAK-UHFFFAOYSA-N -1 0 342.370 3.763 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)s1 ZINC000738465648 600405054 /nfs/dbraw/zinc/40/50/54/600405054.db2.gz WOMGCQLXVFIHCG-UHFFFAOYSA-N -1 0 345.298 3.748 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1cccc(Oc2ccncc2)c1 ZINC000739488873 600406451 /nfs/dbraw/zinc/40/64/51/600406451.db2.gz BUAIGJVLUGCABW-UHFFFAOYSA-N -1 0 340.360 3.886 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)C(C)C ZINC000736914580 600408310 /nfs/dbraw/zinc/40/83/10/600408310.db2.gz WAVQWSASEYAWOO-JTQLQIEISA-N -1 0 330.331 3.542 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)Nc2cccc(F)c2C(=O)[O-])s1 ZINC000738465602 600409982 /nfs/dbraw/zinc/40/99/82/600409982.db2.gz ULXWKAFBHNSTCT-UHFFFAOYSA-N -1 0 345.298 3.748 20 0 EHADRM CC[C@@H](NC(=O)c1ccccc1NC(=O)[O-])c1ccc(F)cc1F ZINC000736919176 600413921 /nfs/dbraw/zinc/41/39/21/600413921.db2.gz GBEQKIVRZJPUGH-CQSZACIVSA-N -1 0 334.322 3.936 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000346033954 600416348 /nfs/dbraw/zinc/41/63/48/600416348.db2.gz YUWOYSIZYOIQBF-UHFFFAOYSA-N -1 0 343.210 3.848 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000236836037 600416856 /nfs/dbraw/zinc/41/68/56/600416856.db2.gz LGWKTXYQLFSDNZ-DLBZAZTESA-N -1 0 325.408 3.703 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NC(C)(C)CCC(=O)[O-])c1 ZINC000236738222 600417992 /nfs/dbraw/zinc/41/79/92/600417992.db2.gz FKNNQXYMBLIPCZ-CQSZACIVSA-N -1 0 335.444 3.645 20 0 EHADRM CC(=O)Nc1ccc(N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1Cl ZINC000736160470 600418911 /nfs/dbraw/zinc/41/89/11/600418911.db2.gz ZHOTWPSNWQULLZ-OAHLLOKOSA-N -1 0 336.750 3.675 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C[C@@H]1CCc2ccccc2C1)c1ccccc1 ZINC000262338275 600424998 /nfs/dbraw/zinc/42/49/98/600424998.db2.gz XVGVGAUUANEAPT-DNVCBOLYSA-N -1 0 337.419 3.514 20 0 EHADRM COC(=O)Nc1cccc(N[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000737643905 600425883 /nfs/dbraw/zinc/42/58/83/600425883.db2.gz RTYJXRKJBZTMKB-CQSZACIVSA-N -1 0 334.759 3.756 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C[C@H]2CCc3ccccc3C2)c(F)c1 ZINC000261936517 600427472 /nfs/dbraw/zinc/42/74/72/600427472.db2.gz MGCYNDZRNHOIFY-LBPRGKRZSA-N -1 0 327.355 3.658 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1Oc1ncnc2cccc(F)c21 ZINC000737880390 600430911 /nfs/dbraw/zinc/43/09/11/600430911.db2.gz ZCDFWWMANYMFRC-SOFGYWHQSA-N -1 0 340.310 3.668 20 0 EHADRM Cc1csc(C2(N[C@H](C(=O)[O-])c3cccc(Cl)c3)CCC2)n1 ZINC000738816858 600431986 /nfs/dbraw/zinc/43/19/86/600431986.db2.gz PXNVGDYUPUMXEW-ZDUSSCGKSA-N -1 0 336.844 3.900 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2cc(C(=O)[O-])ccn2)c1 ZINC000738551655 600432744 /nfs/dbraw/zinc/43/27/44/600432744.db2.gz NIJJDVQOIWWRTM-CYBMUJFWSA-N -1 0 342.395 3.618 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC000236830887 600448184 /nfs/dbraw/zinc/44/81/84/600448184.db2.gz ACGUHCIWALJENE-UHFFFAOYSA-N -1 0 349.333 3.694 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2cccc(Oc3ccncc3)c2)c1 ZINC000191593735 600449801 /nfs/dbraw/zinc/44/98/01/600449801.db2.gz MAIXXQRNLUJBOB-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(Oc3ccncc3)c2)s1 ZINC000432111315 600449878 /nfs/dbraw/zinc/44/98/78/600449878.db2.gz KBIWYGRCJGLLOK-UHFFFAOYSA-N -1 0 340.360 3.886 20 0 EHADRM Cc1c2ccccc2oc1[C@H](NC(=O)CCCN(C)C(=O)[O-])C(C)C ZINC000738289786 600450322 /nfs/dbraw/zinc/45/03/22/600450322.db2.gz UVRHAGBCIGWFOX-QGZVFWFLSA-N -1 0 346.427 3.945 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)/C=C\C2CCOCC2)s1 ZINC000736293989 600451346 /nfs/dbraw/zinc/45/13/46/600451346.db2.gz IKFWZSMFXQONCT-PLNGDYQASA-N -1 0 337.441 3.665 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)[C@H]2CC2(Cl)Cl)s1 ZINC000736294744 600451525 /nfs/dbraw/zinc/45/15/25/600451525.db2.gz PZHBPGMLSYCJMK-SSDOTTSWSA-N -1 0 336.240 3.876 20 0 EHADRM O=C([O-])[C@H](OC(=O)CCc1ccc(Cl)s1)c1ccc(F)cc1 ZINC000739261682 600452497 /nfs/dbraw/zinc/45/24/97/600452497.db2.gz XKXNFTXQMCHXLC-CQSZACIVSA-N -1 0 342.775 3.842 20 0 EHADRM O=C([O-])[C@@H](OC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(F)cc1 ZINC000740290914 600452543 /nfs/dbraw/zinc/45/25/43/600452543.db2.gz WVOOQRIIIWDIKT-LOWVWBTDSA-N -1 0 348.292 3.863 20 0 EHADRM CC[C@@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1F ZINC000736914092 600453942 /nfs/dbraw/zinc/45/39/42/600453942.db2.gz LFSWHFHFSYPEHX-MRXNPFEDSA-N -1 0 348.349 3.614 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCc2coc3ccccc23)c(F)c1 ZINC000739451005 600456877 /nfs/dbraw/zinc/45/68/77/600456877.db2.gz WIYVMXBNPOCZHR-UHFFFAOYSA-N -1 0 328.299 3.592 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)NCc2coc3ccccc23)cc1 ZINC000739760646 600456955 /nfs/dbraw/zinc/45/69/55/600456955.db2.gz VJQLVKVTKRBXAJ-UHFFFAOYSA-N -1 0 338.363 3.772 20 0 EHADRM C[C@H](OC(=O)/C=C/c1ccnc2ccccc12)c1ccc(C(=O)[O-])o1 ZINC000736685415 600457180 /nfs/dbraw/zinc/45/71/80/600457180.db2.gz PXLPKZSCFSCVOR-LZGFCCKTSA-N -1 0 337.331 3.844 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cc(Cl)nc(Cl)c1)c1ccc(F)cc1 ZINC000740294364 600457229 /nfs/dbraw/zinc/45/72/29/600457229.db2.gz XZWNHBIEGZZKQK-LBPRGKRZSA-N -1 0 344.125 3.510 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000263476043 600472092 /nfs/dbraw/zinc/47/20/92/600472092.db2.gz JHNYNIVXZNSIJL-GFCCVEGCSA-N -1 0 338.835 3.793 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)N(C)c1nc(CC(=O)[O-])cs1 ZINC000736904525 600472580 /nfs/dbraw/zinc/47/25/80/600472580.db2.gz KXZKCOUFXWQVNK-CYBMUJFWSA-N -1 0 338.473 3.730 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=S)Nc2ccccc2F)cc1 ZINC000739687560 600476229 /nfs/dbraw/zinc/47/62/29/600476229.db2.gz PLGGAKQWYRIBOA-UHFFFAOYSA-N -1 0 348.399 3.878 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000736904630 600477425 /nfs/dbraw/zinc/47/74/25/600477425.db2.gz VSFGVNPSJCNYHB-CABCVRRESA-N -1 0 331.437 3.649 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000736904005 600478933 /nfs/dbraw/zinc/47/89/33/600478933.db2.gz NVJMPHVHILULCV-INIZCTEOSA-N -1 0 341.407 3.748 20 0 EHADRM C[C@@H]1CCC[C@H](OCC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000237360519 600479110 /nfs/dbraw/zinc/47/91/10/600479110.db2.gz IZKVZEKFDRCLRS-PWSUYJOCSA-N -1 0 325.792 3.572 20 0 EHADRM Cc1ccc([C@@H](C)CNC(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000738551569 600479864 /nfs/dbraw/zinc/47/98/64/600479864.db2.gz JZTLHNMFXSLYMJ-AWEZNQCLSA-N -1 0 326.396 3.547 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1Cl ZINC000238122523 600480904 /nfs/dbraw/zinc/48/09/04/600480904.db2.gz CBQQZWGRYBGUNG-UHFFFAOYSA-N -1 0 341.697 3.892 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)c2ccc(Cl)s2)cc1 ZINC000238005099 600481285 /nfs/dbraw/zinc/48/12/85/600481285.db2.gz HXZHZWFAIBDEFC-UHFFFAOYSA-N -1 0 339.800 3.897 20 0 EHADRM C[C@@H]1CCC[C@H](CC(=O)NCc2ccc(OCCCC(=O)[O-])cc2)C1 ZINC000237605918 600482102 /nfs/dbraw/zinc/48/21/02/600482102.db2.gz JLAINUMVENEHGB-WBVHZDCISA-N -1 0 347.455 3.763 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000238005817 600483147 /nfs/dbraw/zinc/48/31/47/600483147.db2.gz OPWJVVHVJWOGHE-UHFFFAOYSA-N -1 0 333.771 3.836 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)Nc2ccc(OC3CCCCC3)cc2)C1 ZINC000669499557 600483553 /nfs/dbraw/zinc/48/35/53/600483553.db2.gz SAXHIBDBCULNEU-CQSZACIVSA-N -1 0 346.427 3.727 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000263097543 600488530 /nfs/dbraw/zinc/48/85/30/600488530.db2.gz WDQNHQWCQIRICR-JKSUJKDBSA-N -1 0 332.444 3.670 20 0 EHADRM C[C@H](CC(=O)Nc1cccc(NC(=O)[O-])c1)C(=O)c1ccccc1 ZINC000736549195 600490764 /nfs/dbraw/zinc/49/07/64/600490764.db2.gz TYCDGRQQPIHGHV-GFCCVEGCSA-N -1 0 326.352 3.624 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(N(C)C(=O)[O-])cc1)C(=O)c1ccccc1 ZINC000736547494 600491725 /nfs/dbraw/zinc/49/17/25/600491725.db2.gz CMJGATLFOQPBDF-CYBMUJFWSA-N -1 0 340.379 3.648 20 0 EHADRM CC(C)Cn1cc(C(=O)NCc2ccc(C(=O)[O-])o2)c2ccccc21 ZINC000347398137 600497420 /nfs/dbraw/zinc/49/74/20/600497420.db2.gz RLFSOLQYCVOWDL-UHFFFAOYSA-N -1 0 340.379 3.519 20 0 EHADRM CN(Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)CC(F)(F)F ZINC000581315738 600499829 /nfs/dbraw/zinc/49/98/29/600499829.db2.gz QDPDIQJXSROUGV-UHFFFAOYSA-N -1 0 330.331 3.502 20 0 EHADRM O=C([O-])CCCOc1ccc(CNc2nc3ccccc3o2)cc1 ZINC000739682221 600504075 /nfs/dbraw/zinc/50/40/75/600504075.db2.gz BVTPKRVRUGYHEX-UHFFFAOYSA-N -1 0 326.352 3.684 20 0 EHADRM Cc1ccccc1[C@H](CC(C)C)NC(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000738757527 600505455 /nfs/dbraw/zinc/50/54/55/600505455.db2.gz BHNICFJFLQZITM-RDJZCZTQSA-N -1 0 347.459 3.524 20 0 EHADRM C[C@H](c1nc(-c2ccccc2)no1)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736723069 600505728 /nfs/dbraw/zinc/50/57/28/600505728.db2.gz ANOMTUOKUSWRJJ-GFCCVEGCSA-N -1 0 335.363 3.512 20 0 EHADRM CC[C@@](NCc1csc(-c2ccco2)n1)(C(=O)[O-])c1ccccc1 ZINC000736919525 600505924 /nfs/dbraw/zinc/50/59/24/600505924.db2.gz AVEPFVKYRUNCQB-SFHVURJKSA-N -1 0 342.420 3.883 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCCOC2CCCCC2)cc1Cl ZINC000320367179 600510216 /nfs/dbraw/zinc/51/02/16/600510216.db2.gz CXVYJFDSKLEDGY-UHFFFAOYSA-N -1 0 340.807 3.509 20 0 EHADRM Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)OC(=O)CCNC(=O)[O-] ZINC000738251085 600512051 /nfs/dbraw/zinc/51/20/51/600512051.db2.gz GWQFVYWLDAOKIK-GFCCVEGCSA-N -1 0 348.424 3.689 20 0 EHADRM C[C@@H](Cc1ccccc1F)c1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000736629433 600515130 /nfs/dbraw/zinc/51/51/30/600515130.db2.gz KTPOKROWMINHHX-NSHDSACASA-N -1 0 326.327 3.920 20 0 EHADRM CCCC[C@@H](Nc1cccc(NC(=O)[O-])c1)C(=O)Nc1cc(C)on1 ZINC000736980750 600522514 /nfs/dbraw/zinc/52/25/14/600522514.db2.gz BXDSFCYTZNADLB-CQSZACIVSA-N -1 0 346.387 3.682 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000262326467 600523187 /nfs/dbraw/zinc/52/31/87/600523187.db2.gz XCJRARSKYSZROW-GOSISDBHSA-N -1 0 325.408 3.767 20 0 EHADRM CCN(C(=O)CSc1ccccc1C)c1ccccc1C(=O)[O-] ZINC000737060001 600523644 /nfs/dbraw/zinc/52/36/44/600523644.db2.gz DZYVYNLJIPORKS-UHFFFAOYSA-N -1 0 329.421 3.838 20 0 EHADRM CC[C@@](NC(=O)[C@H](C)c1cccc(C)c1)(C(=O)[O-])c1ccccc1 ZINC000485371343 600527096 /nfs/dbraw/zinc/52/70/96/600527096.db2.gz GHKYWFLLYANWSZ-QRWLVFNGSA-N -1 0 325.408 3.605 20 0 EHADRM CCc1[nH]c(C(=O)N(CC)[C@@H](CC)c2ccncc2)c(C)c1C(=O)[O-] ZINC000737237735 600530656 /nfs/dbraw/zinc/53/06/56/600530656.db2.gz NMSPJYVPZXBQQK-HNNXBMFYSA-N -1 0 343.427 3.592 20 0 EHADRM CCN(C(=O)c1ccc(-c2cnco2)cc1)c1ccccc1C(=O)[O-] ZINC000737058705 600532001 /nfs/dbraw/zinc/53/20/01/600532001.db2.gz RBRNBJHRUHJTNV-UHFFFAOYSA-N -1 0 336.347 3.707 20 0 EHADRM COc1ccccc1CC(C)(C)C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000738123774 600533814 /nfs/dbraw/zinc/53/38/14/600533814.db2.gz IBBWTVYTSCIIMY-UHFFFAOYSA-N -1 0 341.407 3.909 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2cccc(Oc3ccncc3)c2)cc1 ZINC000739878251 600536695 /nfs/dbraw/zinc/53/66/95/600536695.db2.gz DFKNMFHYBZTNDS-UHFFFAOYSA-N -1 0 348.358 3.753 20 0 EHADRM O=C([O-])CCNC(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000739734088 600553490 /nfs/dbraw/zinc/55/34/90/600553490.db2.gz QJCVVIRZOMMXHJ-UHFFFAOYSA-N -1 0 348.786 3.515 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000236745512 600556990 /nfs/dbraw/zinc/55/69/90/600556990.db2.gz IFIWXZYBUCLBJD-VXGBXAGGSA-N -1 0 344.238 3.809 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1cccc(OCc2cccs2)c1 ZINC000236769131 600560453 /nfs/dbraw/zinc/56/04/53/600560453.db2.gz NJQNMVMGNZAJGY-UHFFFAOYSA-N -1 0 347.436 3.652 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C/C(=O)N(CCC(=O)[O-])C(C)C ZINC000236915107 600560953 /nfs/dbraw/zinc/56/09/53/600560953.db2.gz AGDOTNVTUGOBHD-AUECHBEKSA-N -1 0 333.428 3.589 20 0 EHADRM C/C(=C/C(=O)N(CCC(=O)[O-])C(C)C)c1ccc(C(F)(F)F)cc1 ZINC000236754263 600561506 /nfs/dbraw/zinc/56/15/06/600561506.db2.gz OEBKTQWSXKVVAO-BENRWUELSA-N -1 0 343.345 3.820 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000236747007 600561883 /nfs/dbraw/zinc/56/18/83/600561883.db2.gz YDZOIBUWZZHXIM-ZWKOTPCHSA-N -1 0 325.408 3.655 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)Cc1coc2ccc3ccccc3c12 ZINC000675982974 600563443 /nfs/dbraw/zinc/56/34/43/600563443.db2.gz FFIPCGNDBGCYEY-UHFFFAOYSA-N -1 0 339.391 3.840 20 0 EHADRM CC(C)(CCCc1ccccc1)CNC(=O)N1CCC(C(=O)[O-])CC1 ZINC000263310518 600565981 /nfs/dbraw/zinc/56/59/81/600565981.db2.gz YOIHVSKTFIYXEM-UHFFFAOYSA-N -1 0 346.471 3.542 20 0 EHADRM O=C([O-])Cc1sc(NC(=O)CCC2CC2)nc1-c1ccccc1 ZINC000739899316 600572207 /nfs/dbraw/zinc/57/22/07/600572207.db2.gz JXEHTRUYJXXEQZ-UHFFFAOYSA-N -1 0 330.409 3.566 20 0 EHADRM CC(C)OCc1ccc(NC(=O)c2ccccc2NC(=O)[O-])cc1 ZINC000736486550 600574114 /nfs/dbraw/zinc/57/41/14/600574114.db2.gz YVPIUPLLAQFOQT-UHFFFAOYSA-N -1 0 328.368 3.954 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1cccc(Oc2ccnc3ccccc32)c1 ZINC000739553107 600579851 /nfs/dbraw/zinc/57/98/51/600579851.db2.gz MJPQYWOAUXCVJR-JKSUJKDBSA-N -1 0 348.358 3.686 20 0 EHADRM CC(C)[C@@H](S[C@H](C)CC(=O)[O-])C(=O)N1c2ccccc2C[C@@H]1C ZINC000736551907 600586818 /nfs/dbraw/zinc/58/68/18/600586818.db2.gz XUFDLRMZXNYAGL-OGHNNQOOSA-N -1 0 335.469 3.585 20 0 EHADRM CC(C)[C@H](S[C@H](C)CC(=O)[O-])C(=O)N1c2ccccc2C[C@@H]1C ZINC000736551902 600586900 /nfs/dbraw/zinc/58/69/00/600586900.db2.gz XUFDLRMZXNYAGL-AHIWAGSCSA-N -1 0 335.469 3.585 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)c2cc3occc3s2)cc1 ZINC000739686597 600588524 /nfs/dbraw/zinc/58/85/24/600588524.db2.gz NSOMTUHTXUQPTH-UHFFFAOYSA-N -1 0 345.376 3.990 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)c2ccccc2NC(=O)[O-])c(C)c1 ZINC000738588960 600590903 /nfs/dbraw/zinc/59/09/03/600590903.db2.gz HIGUJVINXXBECF-CQSZACIVSA-N -1 0 326.396 3.754 20 0 EHADRM C[C@H](CC(=O)[O-])S[C@@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000736554081 600592313 /nfs/dbraw/zinc/59/23/13/600592313.db2.gz WRSGMNAQJPZRFN-MCIONIFRSA-N -1 0 349.496 3.728 20 0 EHADRM CN(C(=O)/C=C\c1ccnc2ccccc12)[C@H](C(=O)[O-])c1ccccc1 ZINC000737313471 600592465 /nfs/dbraw/zinc/59/24/65/600592465.db2.gz KMOQHDCPCILFNE-DUQGCJEPSA-N -1 0 346.386 3.532 20 0 EHADRM CN(C(=O)CC(C)(C)c1ccccc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737319293 600594649 /nfs/dbraw/zinc/59/46/49/600594649.db2.gz YWMNSPDWHCRZAR-GOSISDBHSA-N -1 0 325.408 3.639 20 0 EHADRM C[C@@H](CC(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-])C1CC1 ZINC000736541881 600598862 /nfs/dbraw/zinc/59/88/62/600598862.db2.gz POLIIMFSGAOPOV-KSSFIOAISA-N -1 0 339.435 3.636 20 0 EHADRM Cc1cc(C)c(/C=C/C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)cc1C ZINC000738356061 600600156 /nfs/dbraw/zinc/60/01/56/600600156.db2.gz QJDKXMRTPMVOEU-CFGKVWFZSA-N -1 0 337.419 3.909 20 0 EHADRM COC(=O)c1sc2cccc(F)c2c1CSC[C@@H](C)C(=O)[O-] ZINC000737718947 600602185 /nfs/dbraw/zinc/60/21/85/600602185.db2.gz KCWMEIVFQGUUPF-MRVPVSSYSA-N -1 0 342.413 3.781 20 0 EHADRM C[C@H]1CCc2sc(C(=O)N(C)[C@@H](C(=O)[O-])c3ccccc3)cc2C1 ZINC000736807312 600602302 /nfs/dbraw/zinc/60/23/02/600602302.db2.gz VKDFPEMYNLRWDN-YVEFUNNKSA-N -1 0 343.448 3.771 20 0 EHADRM C[C@@H](CSCc1nc(-c2ccc(C(F)(F)F)cc2)no1)C(=O)[O-] ZINC000736616943 600603432 /nfs/dbraw/zinc/60/34/32/600603432.db2.gz DMJPBAACLCTRAY-QMMMGPOBSA-N -1 0 346.330 3.709 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)C[C@H]1C=CCC1)Cc1ccc2ccccc2c1 ZINC000238167804 600606669 /nfs/dbraw/zinc/60/66/69/600606669.db2.gz AHGCZGGWZDGHQM-HNAYVOBHSA-N -1 0 337.419 3.556 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)C[C@@H]1C=CCC1)Cc1ccc2ccccc2c1 ZINC000238168285 600606686 /nfs/dbraw/zinc/60/66/86/600606686.db2.gz AHGCZGGWZDGHQM-DNVCBOLYSA-N -1 0 337.419 3.556 20 0 EHADRM Cc1cc(C)cc(-c2nn(CN(CCC(=O)[O-])C(C)C)c(=S)o2)c1 ZINC000738358082 600608889 /nfs/dbraw/zinc/60/88/89/600608889.db2.gz PQKFLWVYAXMPKO-UHFFFAOYSA-N -1 0 349.456 3.632 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)C[C@@H]2CCc3ccccc32)cc1 ZINC000739738998 600609189 /nfs/dbraw/zinc/60/91/89/600609189.db2.gz CHSMSTZEUNBIAC-HNNXBMFYSA-N -1 0 339.391 3.599 20 0 EHADRM CC(C)[C@H](c1ccccc1Cl)N(C)C(=S)NCCCC(=O)[O-] ZINC000736391677 600615960 /nfs/dbraw/zinc/61/59/60/600615960.db2.gz QFYOWAYFPZQBQP-OAHLLOKOSA-N -1 0 342.892 3.708 20 0 EHADRM CC[C@H]1CCCCCN1C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000391223973 600623543 /nfs/dbraw/zinc/62/35/43/600623543.db2.gz NIDFITZWEJVBKS-JTQLQIEISA-N -1 0 326.343 3.850 20 0 EHADRM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ccc(Oc2ccnc3ccccc32)cc1 ZINC000191593505 600623923 /nfs/dbraw/zinc/62/39/23/600623923.db2.gz GOVCEIVZRNNNML-HOTGVXAUSA-N -1 0 348.358 3.686 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CCc3c(Cl)cccc3C2)ccc1F ZINC000740090054 600625115 /nfs/dbraw/zinc/62/51/15/600625115.db2.gz LGLFMWYLQBDXJS-UHFFFAOYSA-N -1 0 348.761 3.768 20 0 EHADRM COc1cc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc(OC)c1C ZINC000325387004 600625431 /nfs/dbraw/zinc/62/54/31/600625431.db2.gz OVGYSEOUQWUKNQ-UHFFFAOYSA-N -1 0 349.770 3.616 20 0 EHADRM Cc1cc(NC(=O)NCCc2cc3ccccc3o2)ccc1C(=O)[O-] ZINC000738442676 600625914 /nfs/dbraw/zinc/62/59/14/600625914.db2.gz YBVUAAFDHRJOGJ-UHFFFAOYSA-N -1 0 338.363 3.804 20 0 EHADRM CCN(C(=O)C[C@@H]1CCc2ccccc2C1)c1ccccc1C(=O)[O-] ZINC000737052306 600647407 /nfs/dbraw/zinc/64/74/07/600647407.db2.gz ICQLMRZRYQITQK-OAHLLOKOSA-N -1 0 337.419 3.933 20 0 EHADRM CCCCO[C@H](C)C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000829413285 600653382 /nfs/dbraw/zinc/65/33/82/600653382.db2.gz KPDSTYCZLBQLKM-RNCFNFMXSA-N -1 0 349.210 3.868 20 0 EHADRM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)Nc2ncc(C(=O)[O-])s2)cc1 ZINC000736511783 600659904 /nfs/dbraw/zinc/65/99/04/600659904.db2.gz DDKGUOOIZFEZPU-OLZOCXBDSA-N -1 0 330.409 3.707 20 0 EHADRM CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000236845565 600659919 /nfs/dbraw/zinc/65/99/19/600659919.db2.gz XGCUNZVMBPTJDJ-MOPGFXCFSA-N -1 0 337.419 3.928 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000236803504 600661086 /nfs/dbraw/zinc/66/10/86/600661086.db2.gz LQRUVDBVNZMFHP-GBESFXJTSA-N -1 0 337.419 3.856 20 0 EHADRM Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)C)cc2)c(C(=O)[O-])[nH]1 ZINC000738421203 600662512 /nfs/dbraw/zinc/66/25/12/600662512.db2.gz DYLFZMVOWXPICV-CABCVRRESA-N -1 0 326.396 3.887 20 0 EHADRM CSC[C@@H](C)C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000832753127 600665589 /nfs/dbraw/zinc/66/55/89/600665589.db2.gz FLXFVTZKOXYTLM-RDDDGLTNSA-N -1 0 337.224 3.661 20 0 EHADRM Cc1ccc(-c2cnc(CN(C)[C@@H](C(=O)[O-])c3ccccc3)o2)cc1 ZINC000738488531 600673031 /nfs/dbraw/zinc/67/30/31/600673031.db2.gz UNLRWOOSMBQSFZ-LJQANCHMSA-N -1 0 336.391 3.908 20 0 EHADRM CC(C)c1ccc(NCc2cccc(C(=O)N(C)C)c2)c(C(=O)[O-])c1 ZINC000736514813 600676292 /nfs/dbraw/zinc/67/62/92/600676292.db2.gz BQNJQVOEOUQLPY-UHFFFAOYSA-N -1 0 340.423 3.822 20 0 EHADRM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Oc1ccccc1CC(=O)[O-] ZINC000738399315 600677149 /nfs/dbraw/zinc/67/71/49/600677149.db2.gz LHRFOYJEOTYWPF-LBPRGKRZSA-N -1 0 348.782 3.648 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000739893232 600678004 /nfs/dbraw/zinc/67/80/04/600678004.db2.gz WMWYVXQBXCYUET-RYUDHWBXSA-N -1 0 330.302 3.588 20 0 EHADRM Cc1oc(CNc2ccc(Oc3ccc(C)nn3)cc2)cc1C(=O)[O-] ZINC000738649411 600679504 /nfs/dbraw/zinc/67/95/04/600679504.db2.gz PIAMMARZOQGZAI-UHFFFAOYSA-N -1 0 339.351 3.789 20 0 EHADRM CCc1ccc(NC(=O)CNc2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC000737266460 600679891 /nfs/dbraw/zinc/67/98/91/600679891.db2.gz NQSKVLGANQBTQG-UHFFFAOYSA-N -1 0 340.423 3.662 20 0 EHADRM CS[C@H](C(=O)O[C@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000832736209 600680157 /nfs/dbraw/zinc/68/01/57/600680157.db2.gz SHHMXCALSRMXNC-GJZGRUSLSA-N -1 0 334.368 3.599 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000736232759 600680610 /nfs/dbraw/zinc/68/06/10/600680610.db2.gz MVGGCEVGBGBHKI-UHFFFAOYSA-N -1 0 346.814 3.753 20 0 EHADRM C[C@@H](c1ccccc1)N(CC1CCC1)C(=S)NCCCC(=O)[O-] ZINC000736725572 600687762 /nfs/dbraw/zinc/68/77/62/600687762.db2.gz VFXGGENOYYAJCQ-AWEZNQCLSA-N -1 0 334.485 3.589 20 0 EHADRM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)CCCN(C)C(=O)[O-] ZINC000736724447 600692756 /nfs/dbraw/zinc/69/27/56/600692756.db2.gz LQNRYELAWNFPHG-OAHLLOKOSA-N -1 0 332.444 3.766 20 0 EHADRM O=C([O-])c1cccc(-c2noc(Cc3cccc4cccnc43)n2)c1 ZINC000833327749 600694869 /nfs/dbraw/zinc/69/48/69/600694869.db2.gz YKGQLQOBOFCHLJ-UHFFFAOYSA-N -1 0 331.331 3.574 20 0 EHADRM Cc1ccc(Cl)c(OCc2nc(-c3cccc(C(=O)[O-])c3)no2)c1 ZINC000832934958 600698124 /nfs/dbraw/zinc/69/81/24/600698124.db2.gz NIZZILWPDZFFGE-UHFFFAOYSA-N -1 0 344.754 3.976 20 0 EHADRM O=C([O-])c1cccc(-c2noc(CCc3ccc(Cl)s3)n2)c1 ZINC000833327595 600699784 /nfs/dbraw/zinc/69/97/84/600699784.db2.gz DOSHDKYWXQKTHL-UHFFFAOYSA-N -1 0 334.784 3.935 20 0 EHADRM C[C@@H](C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000826061132 600701172 /nfs/dbraw/zinc/70/11/72/600701172.db2.gz AGKHDBVIXYLBOL-MEBBXXQBSA-N -1 0 336.746 3.952 20 0 EHADRM O=C([O-])c1cccc(-c2noc(-c3cnc(-c4ccccc4)nc3)n2)c1 ZINC000833328090 600701735 /nfs/dbraw/zinc/70/17/35/600701735.db2.gz VBCPFAJXLLCFCV-UHFFFAOYSA-N -1 0 344.330 3.559 20 0 EHADRM O=C([O-])c1cc(NCc2ccoc2)c2cc(Br)ccc2n1 ZINC000740088618 600707742 /nfs/dbraw/zinc/70/77/42/600707742.db2.gz LUTDHEUGHZXKQU-UHFFFAOYSA-N -1 0 347.168 3.901 20 0 EHADRM O=C([O-])c1ccc(NCCC(F)(F)F)c(OCC(F)(F)F)c1 ZINC000740161276 600711072 /nfs/dbraw/zinc/71/10/72/600711072.db2.gz NYWNQXFLKDLURX-UHFFFAOYSA-N -1 0 331.212 3.690 20 0 EHADRM O=C([O-])CNc1cc(C(F)(F)F)ccc1SCC(F)(F)F ZINC000738617846 600711208 /nfs/dbraw/zinc/71/12/08/600711208.db2.gz VQPNAOKQBDIITL-UHFFFAOYSA-N -1 0 333.253 3.856 20 0 EHADRM CCCc1ccc(COC(=O)c2ccc(NC(=O)[O-])c(O)c2)cc1 ZINC000829566632 600727809 /nfs/dbraw/zinc/72/78/09/600727809.db2.gz PEXMYDYPRZWRNN-UHFFFAOYSA-N -1 0 329.352 3.792 20 0 EHADRM CC(C)C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC000736400991 600730234 /nfs/dbraw/zinc/73/02/34/600730234.db2.gz AFJZZQURYUNEGO-OALUTQOASA-N -1 0 339.435 3.628 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccc(OC2CCC2)cc1)c1ccc(F)cc1 ZINC000833351615 600735031 /nfs/dbraw/zinc/73/50/31/600735031.db2.gz SPELWQHPYRALDG-QGZVFWFLSA-N -1 0 344.338 3.740 20 0 EHADRM Cc1cc(COC(=O)[C@H]2C[C@@]23CCCc2ccccc23)oc1C(=O)[O-] ZINC000832885390 600738163 /nfs/dbraw/zinc/73/81/63/600738163.db2.gz MZIRCLUNOUGXDW-OXQOHEQNSA-N -1 0 340.375 3.624 20 0 EHADRM O=C([O-])[C@H](Nc1ccc(OC(F)F)c(F)c1)c1ccccc1F ZINC000833170218 600741645 /nfs/dbraw/zinc/74/16/45/600741645.db2.gz OICXZUJNYXJDHS-CYBMUJFWSA-N -1 0 329.249 3.804 20 0 EHADRM CC[C@@H](NC(=O)NC1CCC(C(=O)[O-])CC1)C(C)(C)c1ccccc1 ZINC000263269183 600746875 /nfs/dbraw/zinc/74/68/75/600746875.db2.gz RJFSVBQCWQWCSC-BDVYOWHSSA-N -1 0 346.471 3.685 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NC2CCC(C(=O)[O-])CC2)o1 ZINC000263492468 600748981 /nfs/dbraw/zinc/74/89/81/600748981.db2.gz ROXWJOCQRACBNB-MFNGEMCRSA-N -1 0 348.443 3.714 20 0 EHADRM O=C([O-])[C@H](NCc1ccccc1OCC1CC1)c1ccccc1F ZINC000833169764 600753207 /nfs/dbraw/zinc/75/32/07/600753207.db2.gz KEEIHLXDFCHRTQ-GOSISDBHSA-N -1 0 329.371 3.530 20 0 EHADRM C[C@@H]1CCC[C@@H](C)N(C(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000828234350 600773315 /nfs/dbraw/zinc/77/33/15/600773315.db2.gz XZGIJWXAQTZSGD-ZIAGYGMSSA-N -1 0 333.432 3.539 20 0 EHADRM C[C@@H](CC(=O)NC(C)(C)CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000736542093 600781889 /nfs/dbraw/zinc/78/18/89/600781889.db2.gz VMTWXCMWSMQKAS-JTQLQIEISA-N -1 0 331.334 3.569 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)/C=C\c1ccccc1)c1cccc(Cl)c1 ZINC000776671399 600805226 /nfs/dbraw/zinc/80/52/26/600805226.db2.gz BMNHYHKSLUQVIX-ZBTGYSDGSA-N -1 0 329.783 3.685 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1cccc2cnccc21 ZINC000831976344 600818075 /nfs/dbraw/zinc/81/80/75/600818075.db2.gz MXZCYDXHFULRIO-VURMDHGXSA-N -1 0 349.342 3.560 20 0 EHADRM C[C@@H](CCOc1ccccc1)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000827417932 600818168 /nfs/dbraw/zinc/81/81/68/600818168.db2.gz UFNHYEDLXXBOBM-LBPRGKRZSA-N -1 0 331.343 3.568 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N3CCC[C@@H]4CCC[C@@H]43)c12 ZINC000833001379 600820597 /nfs/dbraw/zinc/82/05/97/600820597.db2.gz CXAZIETWHKUSRF-RYUDHWBXSA-N -1 0 331.441 3.775 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)sc1C(=O)[O-] ZINC000738234152 600826383 /nfs/dbraw/zinc/82/63/83/600826383.db2.gz HJVGDULPUFYSIN-GXSJLCMTSA-N -1 0 337.347 3.775 20 0 EHADRM CSc1ccc(OCCN2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000659790644 600826948 /nfs/dbraw/zinc/82/69/48/600826948.db2.gz FBAZGHCNJNDOHR-UHFFFAOYSA-N -1 0 329.421 3.501 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)c1 ZINC000238152827 600829392 /nfs/dbraw/zinc/82/93/92/600829392.db2.gz CGWLBNJGUQSJGM-PWSUYJOCSA-N -1 0 335.281 3.544 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000740078196 600833357 /nfs/dbraw/zinc/83/33/57/600833357.db2.gz NVKVQENFLUKZFJ-ZYHUDNBSSA-N -1 0 335.281 3.544 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)c(C(=O)[O-])c1 ZINC000543446151 600833376 /nfs/dbraw/zinc/83/33/76/600833376.db2.gz CPARFAJPQQYWDC-AAEUAGOBSA-N -1 0 331.318 3.714 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000740078191 600833387 /nfs/dbraw/zinc/83/33/87/600833387.db2.gz NVKVQENFLUKZFJ-JQWIXIFHSA-N -1 0 335.281 3.544 20 0 EHADRM Cn1c(S[C@H](C(=O)[O-])c2ccccc2F)nnc1-c1ccccc1 ZINC000833039055 600834024 /nfs/dbraw/zinc/83/40/24/600834024.db2.gz CWTQYVRIHNTCIO-AWEZNQCLSA-N -1 0 343.383 3.539 20 0 EHADRM O=C([O-])c1cccc(OCc2ccccc2OCC(F)(F)F)c1 ZINC000833332583 600834554 /nfs/dbraw/zinc/83/45/54/600834554.db2.gz OAIQTOUGLQLOAA-UHFFFAOYSA-N -1 0 326.270 3.905 20 0 EHADRM CC/C(=C/C(=O)Nc1nc(CC(=O)[O-])cs1)c1ccc(C)cc1 ZINC000236897843 600834916 /nfs/dbraw/zinc/83/49/16/600834916.db2.gz KIHUOSYFMAOQTN-WQLSENKSSA-N -1 0 330.409 3.511 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1C[C@@H]1C1CCCCC1)c1ccc(F)cc1 ZINC000262664924 600835283 /nfs/dbraw/zinc/83/52/83/600835283.db2.gz VLPZUWXNSVCRQH-ZACQAIPSSA-N -1 0 333.403 3.674 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)cc1 ZINC000737330815 600835988 /nfs/dbraw/zinc/83/59/88/600835988.db2.gz FWLXLAQDUJDYGD-KBPBESRZSA-N -1 0 346.333 3.821 20 0 EHADRM O=C([O-])[C@@H](NC(=O)C1CCCCCCC1)c1cc(F)ccc1F ZINC000739368918 600837768 /nfs/dbraw/zinc/83/77/68/600837768.db2.gz NAUVQROJNNKPSO-HNNXBMFYSA-N -1 0 325.355 3.567 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)cc1 ZINC000238048242 600839683 /nfs/dbraw/zinc/83/96/83/600839683.db2.gz LFNHWBQBTPFPTO-HOCLYGCPSA-N -1 0 345.345 3.724 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000245753225 600839713 /nfs/dbraw/zinc/83/97/13/600839713.db2.gz UKUIVSHSBKCLDW-BPLDGKMQSA-N -1 0 337.847 3.620 20 0 EHADRM CN(Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)cc1)C(=O)[O-] ZINC000737478633 600843787 /nfs/dbraw/zinc/84/37/87/600843787.db2.gz OAGVRBMIOOOGKM-IAGOWNOFSA-N -1 0 330.428 3.951 20 0 EHADRM Cc1c(Br)cccc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000088440155 600845520 /nfs/dbraw/zinc/84/55/20/600845520.db2.gz FQEILRWGPSMIPD-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cccc(-c3noc(C4CC4)n3)c2)c1 ZINC000238066358 600848149 /nfs/dbraw/zinc/84/81/49/600848149.db2.gz QQQRBOJWJFKOFE-UHFFFAOYSA-N -1 0 349.346 3.565 20 0 EHADRM C[C@@]1(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CCc2ccccc2C1 ZINC000827976809 600851497 /nfs/dbraw/zinc/85/14/97/600851497.db2.gz XANSETSRRYWFPA-LJQANCHMSA-N -1 0 327.355 3.658 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000736622886 600851747 /nfs/dbraw/zinc/85/17/47/600851747.db2.gz WJTUSJIXNBBHLT-DZGCQCFKSA-N -1 0 341.382 3.609 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2ccc(OC3CCC3)cc2)c1 ZINC000833318861 600852226 /nfs/dbraw/zinc/85/22/26/600852226.db2.gz HHIZBVDTLHTFDR-UHFFFAOYSA-N -1 0 329.327 3.708 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000237524727 600853626 /nfs/dbraw/zinc/85/36/26/600853626.db2.gz PKFJIOXRDUOVML-DOMZBBRYSA-N -1 0 349.427 3.788 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)CCc2ccc(Cl)cc2)c2ccccc21 ZINC000739640928 600854654 /nfs/dbraw/zinc/85/46/54/600854654.db2.gz HFVJMTWDLQEMMC-AWEZNQCLSA-N -1 0 343.810 3.878 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000540669877 600859137 /nfs/dbraw/zinc/85/91/37/600859137.db2.gz RUVICXLCDSCHFQ-WBAXXEDZSA-N -1 0 347.455 3.717 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@@]1(C)CCc2ccccc2C1 ZINC000830815052 600859553 /nfs/dbraw/zinc/85/95/53/600859553.db2.gz ULTIVQHFEBDROI-NRFANRHFSA-N -1 0 337.419 3.538 20 0 EHADRM CC(C)[C@@H](C(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000236651982 600859798 /nfs/dbraw/zinc/85/97/98/600859798.db2.gz SPIUKIQPYLGAIQ-GOSISDBHSA-N -1 0 327.380 3.528 20 0 EHADRM C[C@@H](CC(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1)C(=O)c1cccc(F)c1 ZINC000827391760 600869154 /nfs/dbraw/zinc/86/91/54/600869154.db2.gz JWHDPKAAPDTKBM-QWRGUYRKSA-N -1 0 348.326 3.630 20 0 EHADRM O=C([O-])[C@@H](NC(=O)C1CCC(c2ccccc2)CC1)c1cccs1 ZINC000448996362 600869482 /nfs/dbraw/zinc/86/94/82/600869482.db2.gz RNHAGFSJGOGROE-DQPZFDDXSA-N -1 0 343.448 3.964 20 0 EHADRM Cc1ccc([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)o1 ZINC000832922467 600869857 /nfs/dbraw/zinc/86/98/57/600869857.db2.gz AQISVCJKYLTAHI-LBPRGKRZSA-N -1 0 331.368 3.816 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000191060926 600876633 /nfs/dbraw/zinc/87/66/33/600876633.db2.gz YQSLRRDGNHWVJM-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM C[C@H](Oc1ccccc1F)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000262192170 600878208 /nfs/dbraw/zinc/87/82/08/600878208.db2.gz JQBGWZLBGOTTLE-LBPRGKRZSA-N -1 0 345.370 3.594 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1Br ZINC000111476979 600879012 /nfs/dbraw/zinc/87/90/12/600879012.db2.gz NFUUFUBONZQACW-QWRGUYRKSA-N -1 0 340.217 3.587 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c(Cl)n1 ZINC000738513492 600884093 /nfs/dbraw/zinc/88/40/93/600884093.db2.gz NTXUCBJDJYCDHN-UHFFFAOYSA-N -1 0 332.787 3.658 20 0 EHADRM Cc1cc([C@H](NC(=O)CCC(=O)[O-])c2ccccc2Cl)ccc1F ZINC000738218765 600884550 /nfs/dbraw/zinc/88/45/50/600884550.db2.gz WOVQBICUNSFGJG-SFHVURJKSA-N -1 0 349.789 3.858 20 0 EHADRM C/C(=C\C(=O)NCc1ccc(OCCCC(=O)[O-])cc1)C(C)(C)C ZINC000767175479 600886126 /nfs/dbraw/zinc/88/61/26/600886126.db2.gz JNISVFLHLISFGE-WYMLVPIESA-N -1 0 333.428 3.539 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2c[nH]nc2-c2ccccc2)c1 ZINC000325341510 600890185 /nfs/dbraw/zinc/89/01/85/600890185.db2.gz CJESOGUXHWEGJS-UHFFFAOYSA-N -1 0 341.754 3.681 20 0 EHADRM CCC[C@H](CCc1ccccc1)NC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000736969024 600914283 /nfs/dbraw/zinc/91/42/83/600914283.db2.gz CKLDCBUXSZZPFO-MRXNPFEDSA-N -1 0 342.439 3.861 20 0 EHADRM COc1ccc(N(CC(C)C)C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000832383479 600915429 /nfs/dbraw/zinc/91/54/29/600915429.db2.gz IFQWVKMUWONORV-GJZGRUSLSA-N -1 0 333.428 3.575 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N2CCC(C3CCCC3)CC2)cc1 ZINC000833313591 600918729 /nfs/dbraw/zinc/91/87/29/600918729.db2.gz ZZJOLGIKRJOQFQ-UHFFFAOYSA-N -1 0 329.440 3.746 20 0 EHADRM Cc1ccccc1-c1nc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])cs1 ZINC000486338064 600919621 /nfs/dbraw/zinc/91/96/21/600919621.db2.gz VMUSDJSAYOQVIO-CYBMUJFWSA-N -1 0 346.452 3.595 20 0 EHADRM Cc1nc(-c2cccs2)ccc1C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000191025545 600927301 /nfs/dbraw/zinc/92/73/01/600927301.db2.gz AVAAHWCOQLQFPA-CYBMUJFWSA-N -1 0 346.452 3.595 20 0 EHADRM CCC(CC)(NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000342568481 600927793 /nfs/dbraw/zinc/92/77/93/600927793.db2.gz OKMGBNALFIECSD-NSHDSACASA-N -1 0 345.361 3.959 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000676019492 600928249 /nfs/dbraw/zinc/92/82/49/600928249.db2.gz PAGYHKKJBVNBFB-JYAVWHMHSA-N -1 0 329.421 3.652 20 0 EHADRM CCC(CC)(NC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000342573813 600928305 /nfs/dbraw/zinc/92/83/05/600928305.db2.gz SSGQQOPKOKDIRM-STQMWFEESA-N -1 0 344.238 3.857 20 0 EHADRM CCC(CC)(NC(=O)[C@H](C)Oc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000342576267 600928838 /nfs/dbraw/zinc/92/88/38/600928838.db2.gz UUBZSTCOPHPGNZ-VIFPVBQESA-N -1 0 348.226 3.520 20 0 EHADRM CCC(CC)(CNC(=O)c1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000828820701 600931230 /nfs/dbraw/zinc/93/12/30/600931230.db2.gz QIKHODOANFVECM-UHFFFAOYSA-N -1 0 331.437 3.934 20 0 EHADRM Cc1ccccc1C1CCN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000180000297 600935697 /nfs/dbraw/zinc/93/56/97/600935697.db2.gz DVAVICRBRQJQOX-IAGOWNOFSA-N -1 0 329.440 3.592 20 0 EHADRM CC(C)C[C@H](OC(=O)c1ccnc(Oc2ccccc2)c1)C(=O)[O-] ZINC000826819312 600952062 /nfs/dbraw/zinc/95/20/62/600952062.db2.gz IFXBASRTVZRAIO-HNNXBMFYSA-N -1 0 329.352 3.530 20 0 EHADRM Cc1nc(C)c(C(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)o1 ZINC000141265773 600964400 /nfs/dbraw/zinc/96/44/00/600964400.db2.gz OAWPLKCDVYAYDC-OAHLLOKOSA-N -1 0 344.411 3.535 20 0 EHADRM Cc1cc2c(cc1C)O[C@H](C(=O)Nc1cc(C(=O)[O-])ccc1Cl)C2 ZINC000832906116 600965284 /nfs/dbraw/zinc/96/52/84/600965284.db2.gz UJNOVRATHGBCMK-INIZCTEOSA-N -1 0 345.782 3.597 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000829009934 600966862 /nfs/dbraw/zinc/96/68/62/600966862.db2.gz WFXIBTBKUXUSSF-SRVKXCTJSA-N -1 0 325.430 3.759 20 0 EHADRM CN(C(=O)[C@@H]1C[C@@]12CCCc1ccccc12)c1ccccc1C(=O)[O-] ZINC000830456473 600967312 /nfs/dbraw/zinc/96/73/12/600967312.db2.gz FXDLWVJWXNHFCC-LAUBAEHRSA-N -1 0 335.403 3.642 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2C[C@]23CCCc2ccccc23)s1 ZINC000833318534 600967827 /nfs/dbraw/zinc/96/78/27/600967827.db2.gz JFNUDZNIOVVUHF-ACJLOTCBSA-N -1 0 327.405 3.679 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000776595152 600968241 /nfs/dbraw/zinc/96/82/41/600968241.db2.gz FUZMRPSZPMBQHY-OWQGQXMQSA-N -1 0 345.439 3.648 20 0 EHADRM CCC[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000498648429 600968530 /nfs/dbraw/zinc/96/85/30/600968530.db2.gz GXOPSIVYIFMLAC-FGTMMUONSA-N -1 0 331.456 3.795 20 0 EHADRM CC(C)c1nn(C)c2sc(C(=O)Nc3sccc3C(=O)[O-])cc12 ZINC000827164231 600970335 /nfs/dbraw/zinc/97/03/35/600970335.db2.gz NWHXSRNPZFUVBQ-UHFFFAOYSA-N -1 0 349.437 3.770 20 0 EHADRM C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CC[C@H]1c1ccccc1 ZINC000180023867 600971202 /nfs/dbraw/zinc/97/12/02/600971202.db2.gz VXAKKFYYSPUQHW-NRSFXHEJSA-N -1 0 329.440 3.530 20 0 EHADRM Cc1ccccc1[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CCO1 ZINC000519646330 600971320 /nfs/dbraw/zinc/97/13/20/600971320.db2.gz UKTXREQLCAHEFT-ZWKOTPCHSA-N -1 0 345.826 3.848 20 0 EHADRM O=C([O-])Nc1ccc(NC(=S)N[C@@H]2CCc3ccccc3C2)cc1 ZINC000833290432 600971454 /nfs/dbraw/zinc/97/14/54/600971454.db2.gz SNBZXNKOXZRMMT-MRXNPFEDSA-N -1 0 341.436 3.620 20 0 EHADRM CCCOc1ccc(CCC(=O)Nc2cccc(F)c2C(=O)[O-])cc1 ZINC000829532474 600972514 /nfs/dbraw/zinc/97/25/14/600972514.db2.gz LUAZNXCXUPSZQW-UHFFFAOYSA-N -1 0 345.370 3.884 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)[C@@H]1SCCc2sccc21 ZINC000833294258 600972841 /nfs/dbraw/zinc/97/28/41/600972841.db2.gz PEFGRFAKCXTHBB-CYBMUJFWSA-N -1 0 337.397 3.555 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccc(OC3CCCC3)c(F)c2)C1 ZINC000180024684 600973401 /nfs/dbraw/zinc/97/34/01/600973401.db2.gz HZZHJMZAYLSQOV-CHWSQXEVSA-N -1 0 349.402 3.977 20 0 EHADRM O=C([O-])c1ccccc1CSc1n[nH]c(-c2cc(F)cc(F)c2)n1 ZINC000740239828 600987512 /nfs/dbraw/zinc/98/75/12/600987512.db2.gz LPJHZOASYZIXOZ-UHFFFAOYSA-N -1 0 347.346 3.740 20 0 EHADRM COc1cc(CN(C)[C@H](C(=O)[O-])c2ccccc2F)ccc1SC ZINC000516301449 600992537 /nfs/dbraw/zinc/99/25/37/600992537.db2.gz RPNRGUWGIZFQGM-KRWDZBQOSA-N -1 0 349.427 3.814 20 0 EHADRM Cc1cc(Cl)ccc1NC(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000324265163 600994535 /nfs/dbraw/zinc/99/45/35/600994535.db2.gz KFCWBXPHAWVJTL-AWEZNQCLSA-N -1 0 332.787 3.638 20 0 EHADRM COc1ccc(NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC000325394366 600994647 /nfs/dbraw/zinc/99/46/47/600994647.db2.gz IRKWVWGEEGERAG-UHFFFAOYSA-N -1 0 328.368 3.701 20 0 EHADRM CC(C)(C(=O)Nc1ncc(C(=O)[O-])s1)c1ccc2ccccc2c1 ZINC000736230227 600997253 /nfs/dbraw/zinc/99/72/53/600997253.db2.gz ILINFULVSFLHQV-UHFFFAOYSA-N -1 0 340.404 3.911 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2CCSc3ccccc32)ccc1F ZINC000740081048 600999877 /nfs/dbraw/zinc/99/98/77/600999877.db2.gz JMVRNWYERZKOCJ-LBPRGKRZSA-N -1 0 331.368 3.742 20 0 EHADRM Cc1ccc(-c2ocnc2C(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000738495765 600999977 /nfs/dbraw/zinc/99/99/77/600999977.db2.gz XOMUIRRVVBOBCN-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000238034077 601000362 /nfs/dbraw/zinc/00/03/62/601000362.db2.gz PXVDGCDDAGBXHW-MCIONIFRSA-N -1 0 342.222 3.563 20 0 EHADRM C/C(=C/C(=O)NC1(C(=O)[O-])CCCC1)c1ccccc1C(F)(F)F ZINC000236637438 601000955 /nfs/dbraw/zinc/00/09/55/601000955.db2.gz CAXBGLMJTTZDKA-KHPPLWFESA-N -1 0 341.329 3.622 20 0 EHADRM O=C([O-])C1(NC(=O)[C@H]2CCSc3ccccc32)CCCCCC1 ZINC000739374043 601002028 /nfs/dbraw/zinc/00/20/28/601002028.db2.gz RYSYNHOPZZJXRU-AWEZNQCLSA-N -1 0 333.453 3.560 20 0 EHADRM Cc1ccc(Br)cc1C(=O)Nc1sccc1C(=O)[O-] ZINC000087741820 601003752 /nfs/dbraw/zinc/00/37/52/601003752.db2.gz NEGFONUQNRBUJK-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM COc1ccc([C@H](NCc2csc(CCC(C)C)n2)C(=O)[O-])cc1 ZINC000832251822 601004711 /nfs/dbraw/zinc/00/47/11/601004711.db2.gz CGANAIMZZCFQJR-KRWDZBQOSA-N -1 0 348.468 3.656 20 0 EHADRM CCCc1ncc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)s1 ZINC000236944589 601005177 /nfs/dbraw/zinc/00/51/77/601005177.db2.gz CKMAKTOGWCMQJL-UHFFFAOYSA-N -1 0 348.424 3.833 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@@H]2CCSc3ccccc32)c1 ZINC000737935926 601010709 /nfs/dbraw/zinc/01/07/09/601010709.db2.gz WGSPJNFSHVMRRZ-CYBMUJFWSA-N -1 0 343.404 3.612 20 0 EHADRM Cn1nc(C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])cc1C1CC1 ZINC000738418031 601011745 /nfs/dbraw/zinc/01/17/45/601011745.db2.gz GQCWLSFHOWCHKD-UHFFFAOYSA-N -1 0 347.440 3.607 20 0 EHADRM CCSCC[C@H](C)N(C)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000830163663 601012577 /nfs/dbraw/zinc/01/25/77/601012577.db2.gz BZMSDGKNFBLVTP-VIFPVBQESA-N -1 0 346.399 3.658 20 0 EHADRM CSc1ccccc1C(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC000738215502 601025364 /nfs/dbraw/zinc/02/53/64/601025364.db2.gz ZVEUIUSCSZGXAY-UHFFFAOYSA-N -1 0 333.384 3.669 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)c2cc3cccc(F)c3o2)c2ccccc21 ZINC000739645918 601025448 /nfs/dbraw/zinc/02/54/48/601025448.db2.gz HHAXSEIDGGJLFZ-LBPRGKRZSA-N -1 0 339.322 3.791 20 0 EHADRM Cc1cc(C)cc(C[C@H](C)NC(=O)Nc2ccc(CC(=O)[O-])cc2)c1 ZINC000832877175 601031458 /nfs/dbraw/zinc/03/14/58/601031458.db2.gz RBNBLHBMMKYCOE-HNNXBMFYSA-N -1 0 340.423 3.683 20 0 EHADRM C[C@@H]1C[C@@H]1[C@@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccc(Cl)cc1 ZINC000237353978 601034283 /nfs/dbraw/zinc/03/42/83/601034283.db2.gz XZGBPARZXGMECT-OOVXXXAESA-N -1 0 344.798 3.560 20 0 EHADRM CC[C@H](CC(=O)N(c1ncc(C(=O)[O-])s1)C1CC1)c1ccccc1 ZINC000736892254 601035953 /nfs/dbraw/zinc/03/59/53/601035953.db2.gz MJGDXAJMJLHMHE-GFCCVEGCSA-N -1 0 344.436 3.921 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1cccc(SC(F)F)c1)C(=O)[O-] ZINC000818624558 601037196 /nfs/dbraw/zinc/03/71/96/601037196.db2.gz SYYZEZKDVBUCKD-SNVBAGLBSA-N -1 0 346.399 3.870 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N[C@@H]2C[C@H]2Cc2ccccc2)ccc1F ZINC000833283783 601038589 /nfs/dbraw/zinc/03/85/89/601038589.db2.gz WBTXLAKWJXETTC-IUODEOHRSA-N -1 0 343.358 3.668 20 0 EHADRM O=C([O-])c1cnc(N(C(=O)c2ccc3ccccc3c2)C2CC2)s1 ZINC000740257828 601038862 /nfs/dbraw/zinc/03/88/62/601038862.db2.gz DOEPROKQXXZRCZ-UHFFFAOYSA-N -1 0 338.388 3.804 20 0 EHADRM O=C([O-])c1cnc(N(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)C2CC2)s1 ZINC000740252774 601040787 /nfs/dbraw/zinc/04/07/87/601040787.db2.gz FXAMHURDRLCGDO-CHWSQXEVSA-N -1 0 334.441 3.553 20 0 EHADRM CCO[C@@H]1C[C@@H](NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)C12CCCC2 ZINC000829925739 601041935 /nfs/dbraw/zinc/04/19/35/601041935.db2.gz SAAZFENRWJFXJR-HZPDHXFCSA-N -1 0 346.427 3.553 20 0 EHADRM O=C([O-])c1cnc(N(Cc2nc3ccccc3s2)C2CC2)s1 ZINC000833338586 601042650 /nfs/dbraw/zinc/04/26/50/601042650.db2.gz SENCKBNSNXFBAE-UHFFFAOYSA-N -1 0 331.422 3.620 20 0 EHADRM Cc1ccc(C(C)(C)CN(C)C(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000685021720 601043095 /nfs/dbraw/zinc/04/30/95/601043095.db2.gz FDEIWZKLGHVIBF-UHFFFAOYSA-N -1 0 325.408 3.743 20 0 EHADRM CC[C@@H](C)C[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000828735571 601049169 /nfs/dbraw/zinc/04/91/69/601049169.db2.gz BZXLZNYOGCRJCT-ZJUUUORDSA-N -1 0 344.358 3.932 20 0 EHADRM C[C@H](C(=O)N1CCCC[C@H]1C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000262646856 601056323 /nfs/dbraw/zinc/05/63/23/601056323.db2.gz IQGUFLKXNLYPPJ-ZANVPECISA-N -1 0 330.211 3.563 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000236971290 601057321 /nfs/dbraw/zinc/05/73/21/601057321.db2.gz FVHXNVMTIWIGLT-ISTUKMMPSA-N -1 0 344.238 3.712 20 0 EHADRM CC[C@@](C)(NC(=O)c1ccc(Oc2ccccc2Cl)nc1)C(=O)[O-] ZINC000828693269 601057913 /nfs/dbraw/zinc/05/79/13/601057913.db2.gz TWKZWFMXGNSTID-QGZVFWFLSA-N -1 0 348.786 3.510 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1Cc2ccccc2[C@H]1C)C(=O)[O-] ZINC000574292317 601059543 /nfs/dbraw/zinc/05/95/43/601059543.db2.gz LFUITMDXUNFNJK-OLZOCXBDSA-N -1 0 341.432 3.969 20 0 EHADRM Cc1cccc(C)c1NCC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000738688609 601063030 /nfs/dbraw/zinc/06/30/30/601063030.db2.gz KFQQTHCMIGJSGU-UHFFFAOYSA-N -1 0 332.787 3.706 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(C(=O)[O-])s2)CC[C@H]1c1ccccc1 ZINC000237643671 601066815 /nfs/dbraw/zinc/06/68/15/601066815.db2.gz GPJFNFAMPQOHSE-GXTWGEPZSA-N -1 0 329.421 3.712 20 0 EHADRM Cc1[nH]c(C(=O)N2CC[C@H](c3ccccc3)[C@@H](C)C2)c(C)c1C(=O)[O-] ZINC000738162319 601067368 /nfs/dbraw/zinc/06/73/68/601067368.db2.gz WOSXVYAKTARYSL-LRDDRELGSA-N -1 0 340.423 3.596 20 0 EHADRM CC/C(=C\C(=O)NC[C@@H](C(=O)[O-])c1ccccc1)c1ccc(C)cc1 ZINC000736837388 601068559 /nfs/dbraw/zinc/06/85/59/601068559.db2.gz VTXOEPXVGJKLSM-NRMGUKERSA-N -1 0 337.419 3.773 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N[C@H]2C[C@@H]2Cc2ccccc2)c1 ZINC000833152511 601069976 /nfs/dbraw/zinc/06/99/76/601069976.db2.gz DVSBKSAPKNSBII-LRDDRELGSA-N -1 0 344.798 3.791 20 0 EHADRM CC/C=C(/C)C(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000829170591 601071426 /nfs/dbraw/zinc/07/14/26/601071426.db2.gz WSFJXEHTKXJYPA-WZUFQYTHSA-N -1 0 331.393 3.908 20 0 EHADRM Cc1ccccc1-c1cnc(COC(=O)c2ccc(C(=O)[O-])s2)o1 ZINC000832974294 601072936 /nfs/dbraw/zinc/07/29/36/601072936.db2.gz ISNPYWVENHPEIK-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM CSc1ccc(Cl)c(C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000320219140 601077281 /nfs/dbraw/zinc/07/72/81/601077281.db2.gz YZVPHPJMLVHSKG-CQSZACIVSA-N -1 0 349.839 3.660 20 0 EHADRM Cc1ccc([C@@H](C)C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)o1 ZINC000832923392 601077790 /nfs/dbraw/zinc/07/77/90/601077790.db2.gz IAOONNSIUGXKPA-SECBINFHSA-N -1 0 336.413 3.782 20 0 EHADRM Cc1ccc(CCCCC(=O)NC[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000262551548 601077894 /nfs/dbraw/zinc/07/78/94/601077894.db2.gz XDDYKNIBDOTTKB-IBGZPJMESA-N -1 0 339.435 3.692 20 0 EHADRM CSCc1cc(C(=O)Nc2cccc(C(=O)[O-])c2C)ccc1F ZINC000611463432 601080791 /nfs/dbraw/zinc/08/07/91/601080791.db2.gz PMLWHMSWAIBGEX-UHFFFAOYSA-N -1 0 333.384 3.948 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)c1ccc2[nH]ccc2c1 ZINC000833179261 601086820 /nfs/dbraw/zinc/08/68/20/601086820.db2.gz LMLXQFDCGQVBBV-WMZOPIPTSA-N -1 0 340.423 3.664 20 0 EHADRM C[C@@H](CNC(=O)c1ccccc1NC(=O)[O-])Oc1cccc(Cl)c1 ZINC000736605409 601087209 /nfs/dbraw/zinc/08/72/09/601087209.db2.gz GETXHEJSIZUDFH-NSHDSACASA-N -1 0 348.786 3.627 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)/C=C\c1ccsc1 ZINC000833176189 601091353 /nfs/dbraw/zinc/09/13/53/601091353.db2.gz BLGKZNMJNAVBPQ-UWUBPMADSA-N -1 0 333.453 3.643 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1cccs1 ZINC000321244586 601092610 /nfs/dbraw/zinc/09/26/10/601092610.db2.gz JIJIQDUKKLMUSY-LLVKDONJSA-N -1 0 332.425 3.993 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NCc2cccc(F)c2)cc1 ZINC000325186536 601094309 /nfs/dbraw/zinc/09/43/09/601094309.db2.gz BQVCWPZEYRVEOS-UHFFFAOYSA-N -1 0 330.359 3.510 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1cc2ccsc2[nH]1 ZINC000833178900 601094975 /nfs/dbraw/zinc/09/49/75/601094975.db2.gz KNBTXNUULUSSSN-HIFRSBDPSA-N -1 0 346.452 3.725 20 0 EHADRM CCCn1c2ccccc2c2nnc(SC/C=C(\C)C(=O)[O-])nc21 ZINC000737051516 601098977 /nfs/dbraw/zinc/09/89/77/601098977.db2.gz VPSFIKDJVBOWDK-DHZHZOJOSA-N -1 0 342.424 3.513 20 0 EHADRM CCCc1nc(C)c(C(=O)O[C@@H](C(=O)[O-])c2ccccc2F)s1 ZINC000829571787 601106159 /nfs/dbraw/zinc/10/61/59/601106159.db2.gz WVVOZUIAQMQQJX-CYBMUJFWSA-N -1 0 337.372 3.526 20 0 EHADRM CC(C)c1cccc(OCC(=O)O[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000827134350 601109699 /nfs/dbraw/zinc/10/96/99/601109699.db2.gz SNTWLUGBYZPFPL-SFHVURJKSA-N -1 0 346.354 3.697 20 0 EHADRM CC(C)CO[C@H](C)C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000826895081 601109783 /nfs/dbraw/zinc/10/97/83/601109783.db2.gz BXWZHVBCJUEISC-RNCFNFMXSA-N -1 0 349.210 3.723 20 0 EHADRM O=C([O-])[C@H](OC(=O)COC1CCCC1)c1ccc(Cl)cc1Cl ZINC000833112314 601112736 /nfs/dbraw/zinc/11/27/36/601112736.db2.gz KHQAXIZYEHMUOM-CQSZACIVSA-N -1 0 347.194 3.622 20 0 EHADRM Cc1ccc2c(c1)[nH]cc2C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000832960619 601118136 /nfs/dbraw/zinc/11/81/36/601118136.db2.gz RRXKFUBKFPDUDB-INIZCTEOSA-N -1 0 327.311 3.598 20 0 EHADRM CCN(C(=O)C[C@H](C)c1ccccc1F)c1ncc(C(=O)[O-])s1 ZINC000737053394 601124971 /nfs/dbraw/zinc/12/49/71/601124971.db2.gz UJHFVYIDVBUIPB-JTQLQIEISA-N -1 0 336.388 3.527 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000326488525 601131898 /nfs/dbraw/zinc/13/18/98/601131898.db2.gz PXOYCTZGCUGIPC-OKILXGFUSA-N -1 0 330.428 3.703 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N2C[C@@H]3CCCC[C@H]3C2)cc1 ZINC000326488524 601131927 /nfs/dbraw/zinc/13/19/27/601131927.db2.gz PXOYCTZGCUGIPC-KBPBESRZSA-N -1 0 330.428 3.703 20 0 EHADRM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000542504727 601135149 /nfs/dbraw/zinc/13/51/49/601135149.db2.gz VJAATCWUMANXSX-HNNXBMFYSA-N -1 0 347.798 3.763 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1ccc(C(=O)C(C)(C)C)cc1)C(=O)[O-] ZINC000424384890 601137094 /nfs/dbraw/zinc/13/70/94/601137094.db2.gz SJIUWENOSZAFEO-AWEZNQCLSA-N -1 0 348.443 3.784 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1F ZINC000832226675 601141336 /nfs/dbraw/zinc/14/13/36/601141336.db2.gz QXXTYZLYGPYNIW-LLVKDONJSA-N -1 0 346.358 3.724 20 0 EHADRM O=C([O-])CN(C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)c1cccc(F)c1 ZINC000833242578 601144144 /nfs/dbraw/zinc/14/41/44/601144144.db2.gz SAAAEDDFVHMBNL-HZPDHXFCSA-N -1 0 347.773 3.700 20 0 EHADRM Cc1ccc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c(Br)c1 ZINC000111470539 601145139 /nfs/dbraw/zinc/14/51/39/601145139.db2.gz ZYUOOXJAESOPDD-WDEREUQCSA-N -1 0 340.217 3.587 20 0 EHADRM O=C([O-])CN(C(=O)[C@@H]1CCSc2ccccc21)c1cccc(F)c1 ZINC000833242065 601145200 /nfs/dbraw/zinc/14/52/00/601145200.db2.gz IZYZBCOWGVKPPE-OAHLLOKOSA-N -1 0 345.395 3.523 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000833185389 601146602 /nfs/dbraw/zinc/14/66/02/601146602.db2.gz HBKWPMJSNMHORB-RYUDHWBXSA-N -1 0 348.399 3.779 20 0 EHADRM Cc1ccc(CCCC(=O)N[C@H](CC(=O)[O-])c2ccccc2)s1 ZINC000237697190 601148594 /nfs/dbraw/zinc/14/85/94/601148594.db2.gz ARKDWQSGWQYKFA-MRXNPFEDSA-N -1 0 331.437 3.711 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)O[C@H](c2ccccc2)c2ccccn2)C1 ZINC000833189746 601148986 /nfs/dbraw/zinc/14/89/86/601148986.db2.gz UMNBTJLUFXQCHS-SOLBZPMBSA-N -1 0 339.391 3.605 20 0 EHADRM CC[C@H](C)[C@H](C)N(C(=O)NCCc1ccc(NC(=O)[O-])cc1)C1CC1 ZINC000828710516 601150674 /nfs/dbraw/zinc/15/06/74/601150674.db2.gz ZOABTYQOKSWPHU-KBPBESRZSA-N -1 0 347.459 3.928 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)c1cccc(C(F)(F)F)c1F ZINC000391672834 601153782 /nfs/dbraw/zinc/15/37/82/601153782.db2.gz QAIHKUOMHDISIC-UHFFFAOYSA-N -1 0 345.223 3.934 20 0 EHADRM CC[C@](NC(=O)CCCc1ccc(C)s1)(C(=O)[O-])c1ccccc1 ZINC000554100910 601155083 /nfs/dbraw/zinc/15/50/83/601155083.db2.gz WEADLDBYNBTYTF-LJQANCHMSA-N -1 0 345.464 3.886 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000630294201 601158347 /nfs/dbraw/zinc/15/83/47/601158347.db2.gz GURKZQGLKWFMJE-SRIISGBFSA-N -1 0 329.440 3.671 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N(c2ccccc2F)C2CCCC2)C1 ZINC000833183977 601160074 /nfs/dbraw/zinc/16/00/74/601160074.db2.gz BUQVTLWJELSFGC-KBPBESRZSA-N -1 0 333.403 3.992 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)C/C=C\c1cccc(F)c1)c1ccccc1 ZINC000486062037 601171071 /nfs/dbraw/zinc/17/10/71/601171071.db2.gz KUXCERHYUVFBPC-PKOVIFDQSA-N -1 0 341.382 3.807 20 0 EHADRM C[C@@H]1[C@H](C)Sc2ccccc2N1C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000828521278 601173894 /nfs/dbraw/zinc/17/38/94/601173894.db2.gz JUGLTPRNLJFZAQ-RQJABVFESA-N -1 0 333.453 3.793 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)OCc2cc(Cl)cc3cccnc32)C1 ZINC000833188451 601180709 /nfs/dbraw/zinc/18/07/09/601180709.db2.gz NCYZEQMAUYLDDR-CHWSQXEVSA-N -1 0 347.798 3.822 20 0 EHADRM Cc1oc(-c2ccccc2)nc1COC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833023766 601185223 /nfs/dbraw/zinc/18/52/23/601185223.db2.gz GVQLIPVRNMDGGM-LSDHHAIUSA-N -1 0 343.379 3.584 20 0 EHADRM O=C([O-])CC1(NC(=O)Cc2csc3ccccc23)CCCCC1 ZINC000538505532 601186567 /nfs/dbraw/zinc/18/65/67/601186567.db2.gz ZVMYKYUWOXHSIF-UHFFFAOYSA-N -1 0 331.437 3.738 20 0 EHADRM Nc1cc(Cl)c(Cl)c(C(=O)OCc2ccc(C(=O)[O-])cc2)c1 ZINC000320199146 601189536 /nfs/dbraw/zinc/18/95/36/601189536.db2.gz NVVYQJZHMIUCDI-UHFFFAOYSA-N -1 0 340.162 3.631 20 0 EHADRM CCS[C@H]1CCC[C@H](NC(=O)Nc2cccc(C(=O)[O-])c2C)C1 ZINC000830157089 601190933 /nfs/dbraw/zinc/19/09/33/601190933.db2.gz FCCOAXXSGVXXPJ-STQMWFEESA-N -1 0 336.457 3.879 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc3nc(C4CC4)oc3c2)C1 ZINC000833185882 601194920 /nfs/dbraw/zinc/19/49/20/601194920.db2.gz JDYAIDNWBGWMGL-NEPJUHHUSA-N -1 0 328.368 3.535 20 0 EHADRM Cc1cnc(C(C)(C)NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)s1 ZINC000832985620 601198218 /nfs/dbraw/zinc/19/82/18/601198218.db2.gz VMALAIDURJWMDW-UHFFFAOYSA-N -1 0 333.413 3.515 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1ccc2nc(C3CC3)oc2c1)C(=O)[O-] ZINC000424382303 601199628 /nfs/dbraw/zinc/19/96/28/601199628.db2.gz NZRNJGABYYFNMD-LBPRGKRZSA-N -1 0 345.399 3.574 20 0 EHADRM Cc1cccc(-c2noc(COc3ccccc3NC(=O)[O-])n2)c1 ZINC000832961252 601229326 /nfs/dbraw/zinc/22/93/26/601229326.db2.gz RCMCQIRSTFLQQT-UHFFFAOYSA-N -1 0 325.324 3.714 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)c2occc2Br)c1 ZINC000696507128 601250712 /nfs/dbraw/zinc/25/07/12/601250712.db2.gz QQQUSZOAFGJEPD-UHFFFAOYSA-N -1 0 344.548 3.646 20 0 EHADRM COc1cccc(/C(C)=C\C(=O)Nc2cc(C(=O)[O-])ccc2F)c1 ZINC000776647747 601253196 /nfs/dbraw/zinc/25/31/96/601253196.db2.gz RNXUTZGKDCRLDY-FLIBITNWSA-N -1 0 329.327 3.575 20 0 EHADRM CCC1(C(=O)Nc2ncc(Cc3cccc(C(=O)[O-])c3)s2)CCC1 ZINC000829039272 601261731 /nfs/dbraw/zinc/26/17/31/601261731.db2.gz PZGPGEYVLARCMB-UHFFFAOYSA-N -1 0 344.436 3.951 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NC[C@H](c1cccnc1)C(C)C ZINC000832916667 601267187 /nfs/dbraw/zinc/26/71/87/601267187.db2.gz YDQPCTMWGAOKPF-INIZCTEOSA-N -1 0 341.411 3.650 20 0 EHADRM C[C@]1(CCc2ccccc2)CCN(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000262525459 601278708 /nfs/dbraw/zinc/27/87/08/601278708.db2.gz GJVJIMFFDNMGHJ-UEXGIBASSA-N -1 0 343.467 3.749 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)C/C=C/c2cccc(F)c2)C(=O)[O-])cc1 ZINC000486403650 601284292 /nfs/dbraw/zinc/28/42/92/601284292.db2.gz HTFVNTXMFPKFLA-YWPBOTNQSA-N -1 0 341.382 3.522 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)N1CC2(CCCC2)c2ccccc21 ZINC000826792698 601291869 /nfs/dbraw/zinc/29/18/69/601291869.db2.gz DJLWYXFOUJCDNB-OAHLLOKOSA-N -1 0 330.428 3.527 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)Cc1cccc2ccccc21)c1ccccc1 ZINC000237614064 601295436 /nfs/dbraw/zinc/29/54/36/601295436.db2.gz CTRZZRZLPYIKJP-BTYIYWSLSA-N -1 0 347.414 3.961 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)CCSc1ccccc1)c1ccccc1 ZINC000262522590 601297838 /nfs/dbraw/zinc/29/78/38/601297838.db2.gz QZIOPWRFFJVENO-KSSFIOAISA-N -1 0 343.448 3.747 20 0 EHADRM Cc1ccccc1Cc1nc(COc2cc(C(=O)[O-])ccc2C)no1 ZINC000832978338 601308714 /nfs/dbraw/zinc/30/87/14/601308714.db2.gz ZQVCBNYCCUWIQS-UHFFFAOYSA-N -1 0 338.363 3.554 20 0 EHADRM Cn1cc(NC(=O)c2cccc(Nc3ccccc3)c2)cc1C(=O)[O-] ZINC000833050851 601315054 /nfs/dbraw/zinc/31/50/54/601315054.db2.gz NMXWMVGNPHJQOV-UHFFFAOYSA-N -1 0 335.363 3.719 20 0 EHADRM COc1ccc2sc(C(=O)Nc3cc(C(=O)[O-])n(C)c3)c(C)c2c1 ZINC000832510623 601316271 /nfs/dbraw/zinc/31/62/71/601316271.db2.gz ZDJWYCIPSZJRMA-UHFFFAOYSA-N -1 0 344.392 3.507 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1F ZINC000320042207 601350887 /nfs/dbraw/zinc/35/08/87/601350887.db2.gz IJZBRZHRUIKHIN-UHFFFAOYSA-N -1 0 325.679 3.665 20 0 EHADRM COc1cccc(/C(C)=C/C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000832529052 601359415 /nfs/dbraw/zinc/35/94/15/601359415.db2.gz VGZFIOGGAYQMAG-KSEUIEODSA-N -1 0 344.338 3.607 20 0 EHADRM Cn1cc(-c2nc(COc3cccc(C(=O)[O-])c3)no2)c2ccccc21 ZINC000833040706 601365402 /nfs/dbraw/zinc/36/54/02/601365402.db2.gz HSAZSXQOVNWGAM-UHFFFAOYSA-N -1 0 349.346 3.506 20 0 EHADRM C[C@H](C(=O)N(Cc1ccoc1C(=O)[O-])[C@@H](C)c1ccccn1)C1CC1 ZINC000825977400 601370738 /nfs/dbraw/zinc/37/07/38/601370738.db2.gz FXUMEJLXHSQKEC-STQMWFEESA-N -1 0 342.395 3.509 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)Nc2cc(-c3ccccc3)on2)cc1 ZINC000833102233 601384338 /nfs/dbraw/zinc/38/43/38/601384338.db2.gz OBMIRNUERKSLFD-UHFFFAOYSA-N -1 0 336.347 3.611 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)NCCc2ccc(C(=O)[O-])cc2)cc1 ZINC000828763814 601392601 /nfs/dbraw/zinc/39/26/01/601392601.db2.gz DIDWFVSNLZQXTO-CQSZACIVSA-N -1 0 341.407 3.535 20 0 EHADRM C[C@H](C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)c1ccc(Cl)s1 ZINC000826022249 601393480 /nfs/dbraw/zinc/39/34/80/601393480.db2.gz ZLWBBDHAQGPLGZ-ZETCQYMHSA-N -1 0 349.799 3.718 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccc(Cl)s1 ZINC000826013258 601406264 /nfs/dbraw/zinc/40/62/64/601406264.db2.gz LKCIKQGQXVQDQD-SECBINFHSA-N -1 0 338.816 3.911 20 0 EHADRM C[C@H](C(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1)c1ccc(Cl)s1 ZINC000761624317 601407282 /nfs/dbraw/zinc/40/72/82/601407282.db2.gz AWKPQSSEBVPLJZ-IINYFYTJSA-N -1 0 337.828 3.789 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN(C)Cc1ccc(Br)o1 ZINC000576643649 601411864 /nfs/dbraw/zinc/41/18/64/601411864.db2.gz XKOALHGNYIWFSX-UHFFFAOYSA-N -1 0 342.189 3.528 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000576710462 601414611 /nfs/dbraw/zinc/41/46/11/601414611.db2.gz JUWSYUMCXASACO-FZKQIMNGSA-N -1 0 329.396 3.502 20 0 EHADRM C/C(=C/COC(=O)c1csc(-c2ccccc2Cl)n1)C(=O)[O-] ZINC000825785708 601423391 /nfs/dbraw/zinc/42/33/91/601423391.db2.gz ANBFESHVHFIULN-TWGQIWQCSA-N -1 0 337.784 3.651 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Nc2cc(C)c(C(=O)[O-])s2)cc1 ZINC000832220854 601442161 /nfs/dbraw/zinc/44/21/61/601442161.db2.gz JPSHENJJUIMIRE-JTQLQIEISA-N -1 0 333.409 3.896 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CNc1ccc(Cl)cc1C ZINC000832886458 601445577 /nfs/dbraw/zinc/44/55/77/601445577.db2.gz ODFBNMOKYSUAHP-UHFFFAOYSA-N -1 0 332.787 3.706 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CNc1c(C)cccc1Cl ZINC000832917318 601445629 /nfs/dbraw/zinc/44/56/29/601445629.db2.gz SNUFNBJLYLUCQW-UHFFFAOYSA-N -1 0 332.787 3.706 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)[C@H](C)c3cccs3)ccc2n1C ZINC000832851483 601450807 /nfs/dbraw/zinc/45/08/07/601450807.db2.gz RGVJKZQFKMSWAI-SNVBAGLBSA-N -1 0 343.404 3.956 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000832588612 601464677 /nfs/dbraw/zinc/46/46/77/601464677.db2.gz FIWGZLUMNFENML-NSHDSACASA-N -1 0 332.352 3.568 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CSc1ccc2ccccc2c1 ZINC000237003673 601466295 /nfs/dbraw/zinc/46/62/95/601466295.db2.gz MGHWMPUEEGEWCN-SFHVURJKSA-N -1 0 331.437 3.692 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000829015140 601469139 /nfs/dbraw/zinc/46/91/39/601469139.db2.gz ZOCSJMKCULAOOY-TZMCWYRMSA-N -1 0 332.352 3.748 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 ZINC000237017160 601469383 /nfs/dbraw/zinc/46/93/83/601469383.db2.gz JBSNPKGHIZMEBK-BMIGLBTASA-N -1 0 329.849 3.580 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000825798557 601472697 /nfs/dbraw/zinc/47/26/97/601472697.db2.gz OGUGJKPBADNZAO-SIFUEBAJSA-N -1 0 332.302 3.737 20 0 EHADRM Cc1cnc([C@H](C)NC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)s1 ZINC000388995731 601477796 /nfs/dbraw/zinc/47/77/96/601477796.db2.gz PYMKWBMXXHRIHS-QMMMGPOBSA-N -1 0 339.804 3.686 20 0 EHADRM CCS[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000830157944 601479558 /nfs/dbraw/zinc/47/95/58/601479558.db2.gz OUDVRMLVNOIZDO-ZIAGYGMSSA-N -1 0 340.420 3.710 20 0 EHADRM COc1cccc([C@H](C)CC(=O)O[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000832528983 601485098 /nfs/dbraw/zinc/48/50/98/601485098.db2.gz TZWPNOFFQFNIKZ-XIKOKIGWSA-N -1 0 346.354 3.697 20 0 EHADRM CC(C)COc1cccc(NC(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC000656602188 601485715 /nfs/dbraw/zinc/48/57/15/601485715.db2.gz VZCGFYLJHSRFQB-UHFFFAOYSA-N -1 0 348.443 3.830 20 0 EHADRM CC(C)OCc1cccc(NC(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC000827033290 601486241 /nfs/dbraw/zinc/48/62/41/601486241.db2.gz DNMXIWMJDLEJSL-UHFFFAOYSA-N -1 0 348.443 3.720 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)C(C)=C2CCCC2)cc1 ZINC000832777670 601501157 /nfs/dbraw/zinc/50/11/57/601501157.db2.gz WRFIXZFDACMTQW-MRXNPFEDSA-N -1 0 333.453 3.931 20 0 EHADRM CC(C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)=C1CCCC1 ZINC000826012840 601501572 /nfs/dbraw/zinc/50/15/72/601501572.db2.gz JDTDIESFTMONTM-UHFFFAOYSA-N -1 0 325.311 3.815 20 0 EHADRM Cn1cc(NC(=O)C(C)(C)Cc2cccc(Cl)c2)cc1C(=O)[O-] ZINC000833044201 601504910 /nfs/dbraw/zinc/50/49/10/601504910.db2.gz AOFAVINABYURPA-UHFFFAOYSA-N -1 0 334.803 3.584 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000767070907 601521825 /nfs/dbraw/zinc/52/18/25/601521825.db2.gz BDXRIQHOZLEGQG-OTYXRUKQSA-N -1 0 344.238 3.542 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)C1(Cc2ccccc2)CC1 ZINC000833334465 601531368 /nfs/dbraw/zinc/53/13/68/601531368.db2.gz OXIPXDQBQVJCLY-UHFFFAOYSA-N -1 0 335.403 3.687 20 0 EHADRM Cc1cc(C(=O)N[C@H](CC(=O)[O-])C2CC2)c(C)n1C1CCCCC1 ZINC000767073453 601532861 /nfs/dbraw/zinc/53/28/61/601532861.db2.gz JOLQKQBYRYJBJV-QGZVFWFLSA-N -1 0 332.444 3.593 20 0 EHADRM C[C@H](CC(=O)N[C@H](CC(=O)[O-])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000767075250 601533581 /nfs/dbraw/zinc/53/35/81/601533581.db2.gz WFDSASMBAITAJT-QMTHXVAHSA-N -1 0 343.345 3.569 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1Cc1csc(C2CCCC2)n1 ZINC000563287961 601547769 /nfs/dbraw/zinc/54/77/69/601547769.db2.gz HHIMRNUNUUOGRF-QGZVFWFLSA-N -1 0 342.464 3.985 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)Nc2cccc(CCC(F)(F)F)c2)C1 ZINC000263029296 601553234 /nfs/dbraw/zinc/55/32/34/601553234.db2.gz KHFCHMWRRUOHFJ-LBPRGKRZSA-N -1 0 344.333 3.510 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)/C=C/SCc2ccco2)c2ccccc21 ZINC000833215549 601572661 /nfs/dbraw/zinc/57/26/61/601572661.db2.gz NMJABEZXYHPYEV-XOVSCCBYSA-N -1 0 343.404 3.632 20 0 EHADRM C[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccccc1F ZINC000345768250 601583425 /nfs/dbraw/zinc/58/34/25/601583425.db2.gz CQKLHNZMFDJYOA-BMIGLBTASA-N -1 0 335.762 3.525 20 0 EHADRM C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1)c1cccc(F)c1 ZINC000537365654 601585956 /nfs/dbraw/zinc/58/59/56/601585956.db2.gz BONDPMXYGWLTGV-MEBBXXQBSA-N -1 0 335.762 3.525 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(Cl)cc1F)c1ccc(Cl)cc1 ZINC000345824441 601586391 /nfs/dbraw/zinc/58/63/91/601586391.db2.gz CQDTUGNCKOGIFG-ZDUSSCGKSA-N -1 0 342.153 3.688 20 0 EHADRM O=C([O-])[C@H](NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)C1CC1 ZINC000767044932 601595504 /nfs/dbraw/zinc/59/55/04/601595504.db2.gz JBOFICGQPURAGQ-SYJIQKIWSA-N -1 0 345.395 3.547 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(SCc2ccccc2)cc1)C1CC1 ZINC000262101873 601596542 /nfs/dbraw/zinc/59/65/42/601596542.db2.gz FMCVAVUPSHYKBL-KRWDZBQOSA-N -1 0 341.432 3.572 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)c2cc(F)cc(C(F)(F)F)c2)c1 ZINC000833268418 601599623 /nfs/dbraw/zinc/59/96/23/601599623.db2.gz SKOCCFYZUCZOBD-UHFFFAOYSA-N -1 0 342.244 3.691 20 0 EHADRM O=C([O-])[C@@H](OC(=O)Cc1ccc(F)c(F)c1)c1cccc(Cl)c1 ZINC000833118893 601600595 /nfs/dbraw/zinc/60/05/95/601600595.db2.gz UFNKAFMVMZNYNB-HNNXBMFYSA-N -1 0 340.709 3.530 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1ccccc1 ZINC000826039840 601603700 /nfs/dbraw/zinc/60/37/00/601603700.db2.gz ZVSNRLAPJPUWHP-XHDPSFHLSA-N -1 0 332.787 3.924 20 0 EHADRM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000237627336 601613265 /nfs/dbraw/zinc/61/32/65/601613265.db2.gz VFARGWCBHGIVGB-LBPRGKRZSA-N -1 0 347.798 3.682 20 0 EHADRM Cc1ccc(NC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c(C)c1 ZINC000832946563 601614627 /nfs/dbraw/zinc/61/46/27/601614627.db2.gz IWHPORDCCQJFNA-YOEHRIQHSA-N -1 0 326.396 3.887 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)Cc1c(Cl)cccc1Cl ZINC000238077855 601614709 /nfs/dbraw/zinc/61/47/09/601614709.db2.gz QLGAORJHXGZNRY-UHFFFAOYSA-N -1 0 338.190 3.802 20 0 EHADRM Cc1ccc(C)c(NC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000832926464 601614797 /nfs/dbraw/zinc/61/47/97/601614797.db2.gz REQUCBBOJXTECC-YOEHRIQHSA-N -1 0 326.396 3.887 20 0 EHADRM CCc1ccccc1NC(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000830282414 601615058 /nfs/dbraw/zinc/61/50/58/601615058.db2.gz UVUVNLZLHWNWNF-CXAGYDPISA-N -1 0 326.396 3.833 20 0 EHADRM CN(Cc1nc2ccccc2s1)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000830814907 601615439 /nfs/dbraw/zinc/61/54/39/601615439.db2.gz QILSMSALHIELDN-UHFFFAOYSA-N -1 0 330.384 3.766 20 0 EHADRM COc1ccc(CCC(=O)Nc2ccccc2CC(=O)[O-])cc1Cl ZINC000324463488 601616332 /nfs/dbraw/zinc/61/63/32/601616332.db2.gz CYKYRQPCZMCKSE-UHFFFAOYSA-N -1 0 347.798 3.547 20 0 EHADRM CCCCO[C@H]1C[C@H](N(C)C(=O)c2cccc(NC(=O)[O-])c2)C1(C)C ZINC000829413728 601618487 /nfs/dbraw/zinc/61/84/87/601618487.db2.gz WLIYGAYLCNEILX-HOTGVXAUSA-N -1 0 348.443 3.832 20 0 EHADRM CC(C)CCN(C(=O)Nc1cccc(OCC(=O)[O-])c1)C1CCCC1 ZINC000327571747 601618533 /nfs/dbraw/zinc/61/85/33/601618533.db2.gz PVKAIMDDGFHGJK-UHFFFAOYSA-N -1 0 348.443 3.973 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CN1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000833033077 601620575 /nfs/dbraw/zinc/62/05/75/601620575.db2.gz UMARCXUUTTZQLJ-CYBMUJFWSA-N -1 0 347.440 3.742 20 0 EHADRM Cc1ccc(Oc2ccccc2)c(NC(=O)NC[C@H](C)C(=O)[O-])c1 ZINC000832953368 601628449 /nfs/dbraw/zinc/62/84/49/601628449.db2.gz IZUMFZLSYZGIGC-ZDUSSCGKSA-N -1 0 328.368 3.630 20 0 EHADRM O=C([O-])[C@H]1CCCCN1C(=O)c1cccc(Oc2ccccc2)c1 ZINC000238055469 601629651 /nfs/dbraw/zinc/62/96/51/601629651.db2.gz NQMJCOYMIAOZEY-QGZVFWFLSA-N -1 0 325.364 3.558 20 0 EHADRM O=C([O-])[C@H]1CCCCN1C(=O)CCCSc1ccc(Cl)cc1 ZINC000238040545 601629709 /nfs/dbraw/zinc/62/97/09/601629709.db2.gz BLXNSNWBWMMBNL-CQSZACIVSA-N -1 0 341.860 3.678 20 0 EHADRM O=C([O-])c1ccc(COc2cccc(Oc3ncccn3)c2)cc1F ZINC000833314716 601634610 /nfs/dbraw/zinc/63/46/10/601634610.db2.gz JZJPDSBZKMZAHN-UHFFFAOYSA-N -1 0 340.310 3.685 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)c1cnc(Cc2ccccc2)s1 ZINC000761997876 601640184 /nfs/dbraw/zinc/64/01/84/601640184.db2.gz ARTDCFLEYIILLT-UHFFFAOYSA-N -1 0 338.388 3.684 20 0 EHADRM CCCCC[C@@H](NC(=O)c1ccc(Oc2cccnc2)cc1)C(=O)[O-] ZINC000191087356 601645140 /nfs/dbraw/zinc/64/51/40/601645140.db2.gz ACPJABUPUOYRMW-QGZVFWFLSA-N -1 0 342.395 3.637 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)CCCc1csc2ccccc12)C(=O)[O-] ZINC000236929047 601648923 /nfs/dbraw/zinc/64/89/23/601648923.db2.gz AJSMZUZPQCGFAM-YVEFUNNKSA-N -1 0 333.453 3.840 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NCc1coc(-c2cccs2)n1)c1ccccc1 ZINC000826055008 601652570 /nfs/dbraw/zinc/65/25/70/601652570.db2.gz UMTYHABWJXNUQL-LRDDRELGSA-N -1 0 342.420 3.955 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)CCCc1ccc(F)c(F)c1 ZINC000776601964 601657256 /nfs/dbraw/zinc/65/72/56/601657256.db2.gz PSSCQAAIYKTUNR-UHFFFAOYSA-N -1 0 345.345 3.575 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1cc(F)cc(Cl)c1)C(=O)[O-] ZINC000827455581 601667461 /nfs/dbraw/zinc/66/74/61/601667461.db2.gz LWPADZGKZJXZQC-LBPRGKRZSA-N -1 0 349.789 3.842 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)CCC(=O)c2ccc(F)c(F)c2)c1 ZINC000833288714 601669165 /nfs/dbraw/zinc/66/91/65/601669165.db2.gz LLVFRBNGOBFNRM-UHFFFAOYSA-N -1 0 348.305 3.656 20 0 EHADRM CN(Cc1ccc(NC(=O)[C@@H]2C[C@@H]2Cc2ccccc2)cc1)C(=O)[O-] ZINC000830830501 601678191 /nfs/dbraw/zinc/67/81/91/601678191.db2.gz FZFGWQGALDXNPP-FUHWJXTLSA-N -1 0 338.407 3.614 20 0 EHADRM Cc1ccccc1CC1CN(C(=O)Nc2cccc(C(=O)[O-])c2C)C1 ZINC000832980978 601693602 /nfs/dbraw/zinc/69/36/02/601693602.db2.gz SMMAUJBLCSHQGC-UHFFFAOYSA-N -1 0 338.407 3.708 20 0 EHADRM C[C@H]1CN(C(=O)c2ccccc2Sc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000828401291 601693921 /nfs/dbraw/zinc/69/39/21/601693921.db2.gz FPHGOHKKLVBUQZ-BBRMVZONSA-N -1 0 341.432 3.631 20 0 EHADRM Cc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)c(C)n1C(C)C ZINC000263154615 601698211 /nfs/dbraw/zinc/69/82/11/601698211.db2.gz MULKAMHVDJPUKE-MRXNPFEDSA-N -1 0 348.830 3.895 20 0 EHADRM Cc1cccc2sc(C(=O)N3C[C@@H](C)[C@H](C(=O)[O-])C3)c(Cl)c21 ZINC000643430338 601708651 /nfs/dbraw/zinc/70/86/51/601708651.db2.gz BIDYVDMILUGUCP-NXEZZACHSA-N -1 0 337.828 3.656 20 0 EHADRM CC(C)(CNC(=O)C[C@H](Cc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000262171050 601708711 /nfs/dbraw/zinc/70/87/11/601708711.db2.gz DISWNUGSWOGTHE-SFHVURJKSA-N -1 0 339.435 3.630 20 0 EHADRM C[C@@H]1CN(C(=O)CCc2ccc(C(=O)[O-])cc2)c2ccccc2S1 ZINC000828335388 601725045 /nfs/dbraw/zinc/72/50/45/601725045.db2.gz YOGZKLOWDPQKDB-CYBMUJFWSA-N -1 0 341.432 3.845 20 0 EHADRM COc1cccc([C@H](C)C(=O)OCc2cc(C(=O)[O-])sc2C)c1 ZINC000832527797 601725206 /nfs/dbraw/zinc/72/52/06/601725206.db2.gz AKQUZKJJKSTKNU-JTQLQIEISA-N -1 0 334.393 3.610 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1sccc1OC(F)F ZINC000833031585 601727991 /nfs/dbraw/zinc/72/79/91/601727991.db2.gz PPCDUGDPQHLGGJ-UHFFFAOYSA-N -1 0 348.348 3.775 20 0 EHADRM O=C([O-])[C@@H](NC(=O)C[C@@H]1CCCc2ccccc21)c1ccccc1F ZINC000678986262 601740577 /nfs/dbraw/zinc/74/05/77/601740577.db2.gz PXDDXHHMVWSCSI-LIRRHRJNSA-N -1 0 341.382 3.578 20 0 EHADRM CC/C(=C\C(=O)N[C@H](C(=O)[O-])c1ccccc1F)c1ccccc1 ZINC000828550812 601742971 /nfs/dbraw/zinc/74/29/71/601742971.db2.gz ZCHJOHOPZCKSTB-HHNLSAEISA-N -1 0 327.355 3.561 20 0 EHADRM O=C([O-])CCCc1csc(NC(=O)c2cc3occc3s2)n1 ZINC000833229472 601744073 /nfs/dbraw/zinc/74/40/73/601744073.db2.gz LUNBZDUUMJRXIH-UHFFFAOYSA-N -1 0 336.394 3.610 20 0 EHADRM O=C([O-])CCCc1csc(NC(=O)c2ccc(F)cc2Cl)n1 ZINC000316305124 601745287 /nfs/dbraw/zinc/74/52/87/601745287.db2.gz LCLJHXMSRDCZKQ-UHFFFAOYSA-N -1 0 342.779 3.595 20 0 EHADRM CSc1ccsc1C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC000832790579 601746837 /nfs/dbraw/zinc/74/68/37/601746837.db2.gz MULWLGHMRJVSBX-UHFFFAOYSA-N -1 0 342.467 3.586 20 0 EHADRM C/C(=C\C(=O)Nc1nc(CCCC(=O)[O-])cs1)c1ccc(F)cc1 ZINC000825724956 601748487 /nfs/dbraw/zinc/74/84/87/601748487.db2.gz YBHJDWJPRSWOMF-PKNBQFBNSA-N -1 0 348.399 3.732 20 0 EHADRM CC(C)(CNC(=O)Nc1ccccc1Oc1ccccc1)C(=O)[O-] ZINC000392513276 601750163 /nfs/dbraw/zinc/75/01/63/601750163.db2.gz LRVIAYCZEAAWGR-UHFFFAOYSA-N -1 0 328.368 3.711 20 0 EHADRM Cc1c2nc(NC(=O)c3ccc(C(=O)[O-])cc3)sc2ccc1F ZINC000832854666 601750456 /nfs/dbraw/zinc/75/04/56/601750456.db2.gz MZHFZXJVGOVWNC-UHFFFAOYSA-N -1 0 330.340 3.694 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)C1CCCCC1 ZINC000391243990 601754753 /nfs/dbraw/zinc/75/47/53/601754753.db2.gz KWHHTDITYNZJSW-AGIUHOORSA-N -1 0 335.366 3.505 20 0 EHADRM CC[C@H](NC(=O)[C@H](Sc1ccccc1F)c1ccccc1)C(=O)[O-] ZINC000828914551 601755225 /nfs/dbraw/zinc/75/52/25/601755225.db2.gz AHPAYISXWHTVGV-GOEBONIOSA-N -1 0 347.411 3.639 20 0 EHADRM O=C([O-])[C@H](NC(=O)Cc1c[nH]c2cc(Cl)ccc12)C1CCCCC1 ZINC000833116879 601755274 /nfs/dbraw/zinc/75/52/74/601755274.db2.gz QVRNCNNIOZDRFK-QGZVFWFLSA-N -1 0 348.830 3.514 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(-c3ccccc3)cc2F)C[C@@H]1C(=O)[O-] ZINC000828368638 601776382 /nfs/dbraw/zinc/77/63/82/601776382.db2.gz GLRYZFJRSMPKFG-DOMZBBRYSA-N -1 0 342.370 3.677 20 0 EHADRM O=C([O-])[C@H](NC(=O)CCCCC(=O)c1ccccc1)C1CCCCC1 ZINC000833097284 601787144 /nfs/dbraw/zinc/78/71/44/601787144.db2.gz JBCNRXUNTDNATN-LJQANCHMSA-N -1 0 345.439 3.579 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(OC3CCCCC3)cc2)C[C@H]1C(=O)[O-] ZINC000828378590 601793268 /nfs/dbraw/zinc/79/32/68/601793268.db2.gz RZIASILQCVPBOQ-SUMWQHHRSA-N -1 0 346.427 3.583 20 0 EHADRM O=C([O-])CCC1CCN(C(=S)Nc2ccc(Cl)cc2)CC1 ZINC000833224433 601794581 /nfs/dbraw/zinc/79/45/81/601794581.db2.gz IWJWIIRIBIBGBP-UHFFFAOYSA-N -1 0 326.849 3.614 20 0 EHADRM Cc1ccc(NC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)cc1C(=O)[O-] ZINC000832945924 601796982 /nfs/dbraw/zinc/79/69/82/601796982.db2.gz MUOAVKPESBEFND-CQSZACIVSA-N -1 0 342.370 3.854 20 0 EHADRM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)c1ccc2ccccc2c1 ZINC000237476013 601799763 /nfs/dbraw/zinc/79/97/63/601799763.db2.gz YJKHOGWIMJYWPM-CQSZACIVSA-N -1 0 333.387 3.958 20 0 EHADRM C[C@@H](C(=O)NC1(C(=O)[O-])CCCCC1)c1ccc2ccccc2c1 ZINC000772862187 601801011 /nfs/dbraw/zinc/80/10/11/601801011.db2.gz UDJQQHFDIWUSAC-CQSZACIVSA-N -1 0 325.408 3.847 20 0 EHADRM O=C([O-])CN(Cc1ccccc1)C(=O)c1cc2cccc(Cl)c2o1 ZINC000833249361 601802029 /nfs/dbraw/zinc/80/20/29/601802029.db2.gz GBOUGQCTFJSDEX-UHFFFAOYSA-N -1 0 343.766 3.813 20 0 EHADRM C[C@@H](C(=O)N[C@H](C(=O)[O-])c1cccs1)c1ccc2ccccc2c1 ZINC000825995047 601802394 /nfs/dbraw/zinc/80/23/94/601802394.db2.gz LNHTUKPMHUZMPB-PXAZEXFGSA-N -1 0 339.416 3.947 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)c1 ZINC000832529260 601802612 /nfs/dbraw/zinc/80/26/12/601802612.db2.gz XINXLSFWSLDNAP-ZDUSSCGKSA-N -1 0 342.395 3.942 20 0 EHADRM O=C([O-])c1cccc(NCc2nnc(-c3ccccc3Cl)o2)c1 ZINC000833331711 601805784 /nfs/dbraw/zinc/80/57/84/601805784.db2.gz POMCDJRJWBQNPA-UHFFFAOYSA-N -1 0 329.743 3.700 20 0 EHADRM O=C([O-])c1sccc1CN[C@@H](c1nccs1)c1ccccc1 ZINC000833349012 601811852 /nfs/dbraw/zinc/81/18/52/601811852.db2.gz YAKKFYYXZIUGFZ-CYBMUJFWSA-N -1 0 330.434 3.782 20 0 EHADRM C[C@@H]1CCC[C@H](CCSCc2noc(CCCC(=O)[O-])n2)C1 ZINC000828238924 601812834 /nfs/dbraw/zinc/81/28/34/601812834.db2.gz LQPLPOYIOKJMJH-CHWSQXEVSA-N -1 0 326.462 3.927 20 0 EHADRM COc1ccccc1OCCSCc1ccc(C(=O)[O-])c(F)c1 ZINC000832633142 601813357 /nfs/dbraw/zinc/81/33/57/601813357.db2.gz RFNXNNOXOKEEAM-UHFFFAOYSA-N -1 0 336.384 3.845 20 0 EHADRM CC(C)C[C@H](C(=O)N1CCC(CCC(=O)[O-])CC1)c1ccccc1 ZINC000659775672 601815592 /nfs/dbraw/zinc/81/55/92/601815592.db2.gz ZPESXJRAXAWHIA-SFHVURJKSA-N -1 0 331.456 3.920 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000539686005 601815777 /nfs/dbraw/zinc/81/57/77/601815777.db2.gz VLLCBYUWNVCSPZ-UHFFFAOYSA-N -1 0 329.396 3.767 20 0 EHADRM CC[C@@H](C)[C@@H](C(=O)N1CCC(CCC(=O)[O-])CC1)c1ccccc1 ZINC000324426994 601816193 /nfs/dbraw/zinc/81/61/93/601816193.db2.gz OWDGQBSXSGWKMX-DNVCBOLYSA-N -1 0 331.456 3.920 20 0 EHADRM CCCOc1ccc(CCC(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000558137665 601816283 /nfs/dbraw/zinc/81/62/83/601816283.db2.gz DZFCBGAJSYDNRI-UHFFFAOYSA-N -1 0 347.455 3.511 20 0 EHADRM C[C@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)C(C)(C)c1ccccc1 ZINC000659396023 601826579 /nfs/dbraw/zinc/82/65/79/601826579.db2.gz DCJLPPGAYBOWGQ-HNNXBMFYSA-N -1 0 346.471 3.639 20 0 EHADRM Cc1ccc2c(CNc3cc(F)c(F)cc3C(=O)[O-])cc(=O)oc2c1 ZINC000832961510 601831131 /nfs/dbraw/zinc/83/11/31/601831131.db2.gz CWPANJBFUSCYMY-UHFFFAOYSA-N -1 0 345.301 3.690 20 0 EHADRM COc1ccc(-c2cncc(C(=O)Oc3ccccc3C(=O)[O-])c2)cc1 ZINC000832124532 601845201 /nfs/dbraw/zinc/84/52/01/601845201.db2.gz QVNHUBGRVVHRLK-UHFFFAOYSA-N -1 0 349.342 3.675 20 0 EHADRM COc1ccc(-c2cncc(C(=O)Nc3cccc(C(=O)[O-])c3)c2)cc1 ZINC000190875492 601846183 /nfs/dbraw/zinc/84/61/83/601846183.db2.gz ZRMDMLUHMYOUCG-UHFFFAOYSA-N -1 0 348.358 3.708 20 0 EHADRM O=C([O-])c1ccc(CSCc2nc(Cc3ccccc3)no2)s1 ZINC000833316892 601846545 /nfs/dbraw/zinc/84/65/45/601846545.db2.gz LEFCNZYDYQUVDO-UHFFFAOYSA-N -1 0 346.433 3.854 20 0 EHADRM O=C([O-])c1ccc(CSCc2nccn2CC(F)(F)F)s1 ZINC000833317407 601846480 /nfs/dbraw/zinc/84/64/80/601846480.db2.gz UJCTWXQFCLWPOY-UHFFFAOYSA-N -1 0 336.360 3.639 20 0 EHADRM C[C@H](SCc1ccc(C(=O)[O-])s1)C(=O)N[C@H]1CCCC[C@H]1C ZINC000827909116 601846681 /nfs/dbraw/zinc/84/66/81/601846681.db2.gz RYENFYNQMSRWLY-MDZLAQPJSA-N -1 0 341.498 3.763 20 0 EHADRM Cc1ccc(N2CC[C@@H](SCc3ccc(C(=O)[O-])s3)C2=O)cc1 ZINC000832936359 601847089 /nfs/dbraw/zinc/84/70/89/601847089.db2.gz FFBRGNNKJPPBQG-CQSZACIVSA-N -1 0 347.461 3.793 20 0 EHADRM CSc1ccsc1C(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC000832789715 601872135 /nfs/dbraw/zinc/87/21/35/601872135.db2.gz DYOBKBSUPOTOOY-UHFFFAOYSA-N -1 0 340.447 3.866 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)C(F)(F)c2ccccc2)cc1 ZINC000833263707 601874232 /nfs/dbraw/zinc/87/42/32/601874232.db2.gz QZQSYTCZAPQJFI-UHFFFAOYSA-N -1 0 338.331 3.561 20 0 EHADRM CC[C@H](NC(=O)NCc1cccc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC000828951252 601881609 /nfs/dbraw/zinc/88/16/09/601881609.db2.gz HOJLMZPCALBWLG-INIZCTEOSA-N -1 0 348.349 3.614 20 0 EHADRM CC[C@H](NC(=O)[O-])C(=O)Nc1ccccc1Oc1cccc(F)c1 ZINC000739531667 601890686 /nfs/dbraw/zinc/89/06/86/601890686.db2.gz UMGUYJMLTPHLIO-ZDUSSCGKSA-N -1 0 332.331 3.603 20 0 EHADRM CC1(CNC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CCCCC1 ZINC000322973926 601891187 /nfs/dbraw/zinc/89/11/87/601891187.db2.gz XMNSTZTZIBYPAS-UHFFFAOYSA-N -1 0 326.343 3.755 20 0 EHADRM CSc1ccsc1C(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000832790592 601900373 /nfs/dbraw/zinc/90/03/73/601900373.db2.gz NDBOVASDFYTBQY-WDEREUQCSA-N -1 0 327.471 3.623 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)c1ccccc1C(F)(F)F ZINC000833130852 601902388 /nfs/dbraw/zinc/90/23/88/601902388.db2.gz ZRYKXZCLRDMGKO-JSGCOSHPSA-N -1 0 343.345 3.859 20 0 EHADRM O=C([O-])Nc1cccc(NCC(=O)NCCCC2CCCCC2)c1 ZINC000833290578 601908351 /nfs/dbraw/zinc/90/83/51/601908351.db2.gz XFIRSCPVGLXXCN-UHFFFAOYSA-N -1 0 333.432 3.665 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)C2(c3cccc(Cl)c3)CCC2)c1 ZINC000391951339 601923463 /nfs/dbraw/zinc/92/34/63/601923463.db2.gz UECDHGBSMUYFRD-UHFFFAOYSA-N -1 0 343.810 3.776 20 0 EHADRM CC(C)N(CCC(=O)Nc1cnccc1Oc1ccccc1)C(=O)[O-] ZINC000738844547 601941796 /nfs/dbraw/zinc/94/17/96/601941796.db2.gz NTOPVCQUUFAVKM-UHFFFAOYSA-N -1 0 343.383 3.591 20 0 EHADRM CCC[C@@H](NC(=O)[O-])C(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000739320753 601945452 /nfs/dbraw/zinc/94/54/52/601945452.db2.gz HMJAFDITVREIGJ-MRXNPFEDSA-N -1 0 333.432 3.806 20 0 EHADRM CC(C)NC(=S)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC000826980379 601954300 /nfs/dbraw/zinc/95/43/00/601954300.db2.gz KJNSJVFWGQHAOP-UHFFFAOYSA-N -1 0 344.436 3.659 20 0 EHADRM COc1c(Cl)cc(NC(=O)C2(NC(=O)[O-])CCCC2)cc1Cl ZINC000739849819 601958153 /nfs/dbraw/zinc/95/81/53/601958153.db2.gz WGQPHUFOBRICDF-UHFFFAOYSA-N -1 0 347.198 3.521 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cccc(OC(F)(F)F)c2)ccc1F ZINC000326469151 601958805 /nfs/dbraw/zinc/95/88/05/601958805.db2.gz ZVGNGHNJOFBJGK-UHFFFAOYSA-N -1 0 343.232 3.675 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)/C=C\SCc1ccco1 ZINC000825942385 601974747 /nfs/dbraw/zinc/97/47/47/601974747.db2.gz WHTYANWLFCSFNW-VURMDHGXSA-N -1 0 346.360 3.533 20 0 EHADRM COc1cccc2c1CC[C@@H]2NC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000832573125 601994833 /nfs/dbraw/zinc/99/48/33/601994833.db2.gz QPYZCEOIEZPEMS-INIZCTEOSA-N -1 0 340.379 3.511 20 0 EHADRM CCCC1(CNC(=O)Nc2cccc(CSCC(=O)[O-])c2)CC1 ZINC000829246179 601995037 /nfs/dbraw/zinc/99/50/37/601995037.db2.gz VYLSJZMRRWGERW-UHFFFAOYSA-N -1 0 336.457 3.706 20 0 EHADRM CC(C)(CCc1ccccc1)NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000736319949 601998377 /nfs/dbraw/zinc/99/83/77/601998377.db2.gz DGASHTHXMHDCPM-UHFFFAOYSA-N -1 0 326.396 3.918 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CCC[C@H]2C2CC2)cc(C(F)(F)F)c1 ZINC000833281102 601999737 /nfs/dbraw/zinc/99/97/37/601999737.db2.gz FUARNONKODOPFZ-ZDUSSCGKSA-N -1 0 342.317 3.810 20 0 EHADRM C[C@H]1CCC[C@@H]1NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000828245867 602002384 /nfs/dbraw/zinc/00/23/84/602002384.db2.gz OIGVAIZHIGTPPC-UFBFGSQYSA-N -1 0 330.306 3.714 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)CCCSc2ccc(Cl)cc2)C1 ZINC000237776133 602002738 /nfs/dbraw/zinc/00/27/38/602002738.db2.gz NYHLZRFMTXHVIY-INIZCTEOSA-N -1 0 341.860 3.536 20 0 EHADRM O=C([O-])c1ccc(COC(=O)C2(c3cccc(Cl)c3)CC2)s1 ZINC000833315766 602004446 /nfs/dbraw/zinc/00/44/46/602004446.db2.gz YZOXDTMVJZKMKW-UHFFFAOYSA-N -1 0 336.796 3.875 20 0 EHADRM CC(C)Oc1cccc(CC(=O)OCc2ccc(C(=O)[O-])s2)c1 ZINC000827058393 602005132 /nfs/dbraw/zinc/00/51/32/602005132.db2.gz DOOVWYVGNHBTME-UHFFFAOYSA-N -1 0 334.393 3.519 20 0 EHADRM CCOCCC1(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)CCCC1 ZINC000829994958 602013907 /nfs/dbraw/zinc/01/39/07/602013907.db2.gz ZNUJUIAEJUSTND-UHFFFAOYSA-N -1 0 348.443 3.722 20 0 EHADRM CC[C@H](C(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC000237074164 602014918 /nfs/dbraw/zinc/01/49/18/602014918.db2.gz WWWINPAGAZXIPL-XJKSGUPXSA-N -1 0 343.345 3.522 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2cc3cc(F)ccc3s2)c1 ZINC000320233837 602021279 /nfs/dbraw/zinc/02/12/79/602021279.db2.gz VLZKWWSLJXLTKV-UHFFFAOYSA-N -1 0 329.352 3.669 20 0 EHADRM CSc1ccc(NC(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])cc1 ZINC000832781090 602028641 /nfs/dbraw/zinc/02/86/41/602028641.db2.gz QJADXAOIBMWSGC-CABCVRRESA-N -1 0 336.457 3.954 20 0 EHADRM COc1cc(C)ccc1CNC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000831967471 602037368 /nfs/dbraw/zinc/03/73/68/602037368.db2.gz ZLHLTSIGPRVDQJ-UHFFFAOYSA-N -1 0 347.346 3.554 20 0 EHADRM O=C(/C=C/SCc1ccco1)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000833093504 602052327 /nfs/dbraw/zinc/05/23/27/602052327.db2.gz YVNFYWLLNJQPDB-SOFGYWHQSA-N -1 0 349.433 3.914 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)[C@H]2C[C@]23CCCc2ccccc23)c1 ZINC000238148195 602067354 /nfs/dbraw/zinc/06/73/54/602067354.db2.gz BOZXMEVEYPSVTB-NQIIRXRSSA-N -1 0 335.403 3.546 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2cccc(-c3cscn3)c2)c1 ZINC000676211072 602068555 /nfs/dbraw/zinc/06/85/55/602068555.db2.gz XMGYIOQGODDZJS-UHFFFAOYSA-N -1 0 338.388 3.690 20 0 EHADRM C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000345863114 602070690 /nfs/dbraw/zinc/07/06/90/602070690.db2.gz JDLVNOPLXIIJIZ-LBPRGKRZSA-N -1 0 347.411 3.820 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)CCc2ccc(-c3ccccc3)[nH]2)c1 ZINC000345748002 602074429 /nfs/dbraw/zinc/07/44/29/602074429.db2.gz MFOYHJLUKUBGOH-UHFFFAOYSA-N -1 0 348.402 3.880 20 0 EHADRM CCc1ocnc1C(=O)O[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000830402821 602087341 /nfs/dbraw/zinc/08/73/41/602087341.db2.gz ABFCWLNWDLBJQF-LBPRGKRZSA-N -1 0 344.150 3.527 20 0 EHADRM C[C@@H](Oc1ccc(/C=C2\C(=O)Nc3cc(Cl)ccc32)cc1)C(=O)[O-] ZINC000794689963 602094320 /nfs/dbraw/zinc/09/43/20/602094320.db2.gz VMWFMVKXMNCBRN-IIBSKXHVSA-N -1 0 343.766 3.685 20 0 EHADRM C[C@@H]1c2ccsc2CCN1C(=O)NCCCCCCCC(=O)[O-] ZINC000402950322 602094296 /nfs/dbraw/zinc/09/42/96/602094296.db2.gz DPXCJXGFIWLVHS-CYBMUJFWSA-N -1 0 338.473 3.802 20 0 EHADRM C[C@H](SCc1ccc(C(=O)[O-])cc1)c1cn(-c2ccccc2)nn1 ZINC000827907955 602099781 /nfs/dbraw/zinc/09/97/81/602099781.db2.gz DAPNEEJEGPOJSM-ZDUSSCGKSA-N -1 0 339.420 3.960 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000827274122 602101331 /nfs/dbraw/zinc/10/13/31/602101331.db2.gz WEZVFSDNDSKFSJ-ZUZCIYMTSA-N -1 0 337.828 3.718 20 0 EHADRM Cc1cc(NC(=O)[C@H](C)OC2CCCCCC2)sc1C(=O)[O-] ZINC000832892858 602103589 /nfs/dbraw/zinc/10/35/89/602103589.db2.gz GWOXRXDECDOPNP-NSHDSACASA-N -1 0 325.430 3.821 20 0 EHADRM CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000739293895 602108404 /nfs/dbraw/zinc/10/84/04/602108404.db2.gz FGKBFSRFCLMCQW-QGZVFWFLSA-N -1 0 347.440 3.883 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)c2ccc3sccc3c2)c1 ZINC000345867491 602114001 /nfs/dbraw/zinc/11/40/01/602114001.db2.gz PITOKNZRECVTKU-UHFFFAOYSA-N -1 0 327.361 3.617 20 0 EHADRM CCO[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-])C(C)C ZINC000829912155 602120724 /nfs/dbraw/zinc/12/07/24/602120724.db2.gz GNVAIOKQSXDRCS-CYBMUJFWSA-N -1 0 347.333 3.793 20 0 EHADRM Cc1cc(C)c2cc(C(=O)Nc3cccc(CC(=O)[O-])c3)sc2n1 ZINC000738227357 602142320 /nfs/dbraw/zinc/14/23/20/602142320.db2.gz XDVIUKWWUOPTBT-UHFFFAOYSA-N -1 0 340.404 3.793 20 0 EHADRM CCC(CC)(CC)C(=O)Nc1nc2nc(C)cc(C(=O)[O-])c2s1 ZINC000828810993 602143247 /nfs/dbraw/zinc/14/32/47/602143247.db2.gz UXDMDZPATBWXSE-UHFFFAOYSA-N -1 0 335.429 3.853 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000827873930 602152371 /nfs/dbraw/zinc/15/23/71/602152371.db2.gz SRUDUMGLCVWBDM-GJZGRUSLSA-N -1 0 345.439 3.719 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000827311214 602173862 /nfs/dbraw/zinc/17/38/62/602173862.db2.gz QOSZKOUBEJPDAT-JTQLQIEISA-N -1 0 334.759 3.577 20 0 EHADRM Cc1ccn(-c2ccc(C(=O)Nc3ccccc3NC(=O)[O-])cc2)n1 ZINC000740192534 602175257 /nfs/dbraw/zinc/17/52/57/602175257.db2.gz GTFQPZFRELYWSE-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)c1ccc(-c2ccccc2)[nH]c1=O ZINC000740716674 602175516 /nfs/dbraw/zinc/17/55/16/602175516.db2.gz YSXHKAPEMXDQSH-UHFFFAOYSA-N -1 0 349.346 3.796 20 0 EHADRM O=C([O-])c1csc(NC(=O)CCOc2ccccc2Cl)c1 ZINC000191329828 602180235 /nfs/dbraw/zinc/18/02/35/602180235.db2.gz MEWOWYCOPDRZDZ-UHFFFAOYSA-N -1 0 325.773 3.507 20 0 EHADRM C/C=C(/C=C/C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1)CC ZINC000828542529 602184480 /nfs/dbraw/zinc/18/44/80/602184480.db2.gz LTXACALYFXJQSR-OZIKREMFSA-N -1 0 338.407 3.663 20 0 EHADRM COc1ccc(S[C@H](C)C(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000570117025 602185920 /nfs/dbraw/zinc/18/59/20/602185920.db2.gz PZKMZVBMJPZMNG-SECBINFHSA-N -1 0 337.422 3.574 20 0 EHADRM COc1ccc(CCC(=O)Nc2cc(C(=O)[O-])cs2)cc1Cl ZINC000579201050 602187565 /nfs/dbraw/zinc/18/75/65/602187565.db2.gz SPBDWUHSYVGDCB-UHFFFAOYSA-N -1 0 339.800 3.680 20 0 EHADRM Cc1oc(-c2ccccc2)nc1CC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000191357245 602188024 /nfs/dbraw/zinc/18/80/24/602188024.db2.gz JGYBDVRLVDQTPM-UHFFFAOYSA-N -1 0 342.376 3.591 20 0 EHADRM Cc1nc(-c2ccccc2)sc1[C@@H](C)OC(=O)[C@@H](C)CC(=O)[O-] ZINC000832992199 602192404 /nfs/dbraw/zinc/19/24/04/602192404.db2.gz BLJXYTLEXDIBIJ-CMPLNLGQSA-N -1 0 333.409 3.834 20 0 EHADRM CSc1cc(C(=O)N[C@@H](CC(=O)[O-])C2CC2)c(Cl)cc1Cl ZINC000776629774 602194581 /nfs/dbraw/zinc/19/45/81/602194581.db2.gz GLHVLEPBMMHYNP-NSHDSACASA-N -1 0 348.251 3.698 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)/C=C\Sc2ccccc2)c1 ZINC000740674637 602201587 /nfs/dbraw/zinc/20/15/87/602201587.db2.gz UEABCTPARYVUHV-KTKRTIGZSA-N -1 0 328.393 3.699 20 0 EHADRM CC(C)[C@H](C)CNC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000826681707 602228647 /nfs/dbraw/zinc/22/86/47/602228647.db2.gz SBFUCBSNOXYLHL-CYBMUJFWSA-N -1 0 344.411 3.717 20 0 EHADRM COc1ccc(CNC(=O)Nc2cc(C(=O)[O-])ccc2C)cc1Cl ZINC000832336308 602236084 /nfs/dbraw/zinc/23/60/84/602236084.db2.gz PFIWIYZGQWKQQJ-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000738945089 602238063 /nfs/dbraw/zinc/23/80/63/602238063.db2.gz PHZMIRQBOBLLMS-GFCCVEGCSA-N -1 0 342.370 3.684 20 0 EHADRM C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000828528204 602238435 /nfs/dbraw/zinc/23/84/35/602238435.db2.gz SEPXFMWAMPTJIN-SNVBAGLBSA-N -1 0 346.333 3.814 20 0 EHADRM CCn1c(SCc2ccc(C(=O)[O-])o2)nnc1-c1ccc(C)cc1 ZINC000830416354 602242333 /nfs/dbraw/zinc/24/23/33/602242333.db2.gz QSNLUZXBONJZNY-UHFFFAOYSA-N -1 0 343.408 3.857 20 0 EHADRM Cc1cc(C(F)(F)F)c(Nc2ccc3c(c2)CCN3C(=O)[O-])nn1 ZINC000740062884 602256509 /nfs/dbraw/zinc/25/65/09/602256509.db2.gz GULIARPEPIBDJR-UHFFFAOYSA-N -1 0 338.289 3.588 20 0 EHADRM Cc1ccccc1CC(C)(C)NC(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000740183120 602265966 /nfs/dbraw/zinc/26/59/66/602265966.db2.gz YXHIAFDBJMCNLD-UHFFFAOYSA-N -1 0 340.423 3.765 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])o1 ZINC000740113228 602280318 /nfs/dbraw/zinc/28/03/18/602280318.db2.gz KBFSSEYPQCRVKP-LLVKDONJSA-N -1 0 329.356 3.511 20 0 EHADRM Cc1nc(CC(C)C)c(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])s1 ZINC000424387879 602282878 /nfs/dbraw/zinc/28/28/78/602282878.db2.gz XYJBCEGHYPDQBH-LBPRGKRZSA-N -1 0 341.477 3.518 20 0 EHADRM CC(C)(CNC(=O)[O-])NC(=S)Nc1ccccc1-c1ccccc1 ZINC000738753071 602292679 /nfs/dbraw/zinc/29/26/79/602292679.db2.gz VBJKTXGHACFKOJ-UHFFFAOYSA-N -1 0 343.452 3.686 20 0 EHADRM C[C@@H](CC(=O)Nc1cccc(CSCC(=O)[O-])c1)c1ccncc1 ZINC000827241819 602294544 /nfs/dbraw/zinc/29/45/44/602294544.db2.gz YSNVAMAMIZAQJZ-ZDUSSCGKSA-N -1 0 344.436 3.532 20 0 EHADRM CCc1ccc(-c2noc(CNc3ccc(C(=O)[O-])c(F)c3)n2)cc1 ZINC000830228969 602303439 /nfs/dbraw/zinc/30/34/39/602303439.db2.gz KFYUTMZDYOCPOS-UHFFFAOYSA-N -1 0 341.342 3.748 20 0 EHADRM Cc1ccc(NC(=O)c2cccn2C2CCN(C(=O)[O-])CC2)c(C)c1 ZINC000740140644 602305852 /nfs/dbraw/zinc/30/58/52/602305852.db2.gz FSMBOIJHLRKSMG-UHFFFAOYSA-N -1 0 341.411 3.672 20 0 EHADRM CN(C(=O)c1ccc(-c2ccccc2)cc1)c1ncc(C(=O)[O-])s1 ZINC000830522817 602336418 /nfs/dbraw/zinc/33/64/18/602336418.db2.gz BNJSSRNCNZPOKS-UHFFFAOYSA-N -1 0 338.388 3.785 20 0 EHADRM Cc1ccc(NC(=O)N2CCC(OC(C)(C)C)CC2)cc1C(=O)[O-] ZINC000832945750 602354303 /nfs/dbraw/zinc/35/43/03/602354303.db2.gz LKQREDMZKCJESG-UHFFFAOYSA-N -1 0 334.416 3.505 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)cc1F ZINC000767200139 602358150 /nfs/dbraw/zinc/35/81/50/602358150.db2.gz NVTBLNNHWRWIBD-MNOVXSKESA-N -1 0 335.281 3.544 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000736376924 602371268 /nfs/dbraw/zinc/37/12/68/602371268.db2.gz QAILTIGJQPUIIC-INIZCTEOSA-N -1 0 327.384 3.661 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(C)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000827949308 602377473 /nfs/dbraw/zinc/37/74/73/602377473.db2.gz KBVZKXJUKYJARK-JTQLQIEISA-N -1 0 335.791 3.602 20 0 EHADRM CCS[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC000830156974 602378633 /nfs/dbraw/zinc/37/86/33/602378633.db2.gz BVLUJSRUVQVVCB-ZYHUDNBSSA-N -1 0 340.420 3.710 20 0 EHADRM C[C@@H]1Cc2ccccc2CN1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000828515324 602378758 /nfs/dbraw/zinc/37/87/58/602378758.db2.gz AOGFLRUMLGHETK-LLVKDONJSA-N -1 0 328.343 3.503 20 0 EHADRM CCN(Cc1ccc(Cl)cc1)C(=O)C1CCC(NC(=O)[O-])CC1 ZINC000739439024 602382361 /nfs/dbraw/zinc/38/23/61/602382361.db2.gz HHTRKAQAESFVFB-UHFFFAOYSA-N -1 0 338.835 3.515 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCCc2cccc(Cl)c2)cc1F ZINC000833143756 602386269 /nfs/dbraw/zinc/38/62/69/602386269.db2.gz WGIGOKLOBLKBDI-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM C[C@@H](C(=O)N(CC(=O)[O-])C1CCCC1)c1ccccc1C(F)(F)F ZINC000825972360 602400355 /nfs/dbraw/zinc/40/03/55/602400355.db2.gz ORRBNIKGMYUSMW-LLVKDONJSA-N -1 0 343.345 3.665 20 0 EHADRM O=C([O-])CN(C(=O)c1sccc1SC(F)F)C1CCCC1 ZINC000833248295 602400492 /nfs/dbraw/zinc/40/04/92/602400492.db2.gz KKFRTBNPBLASOM-UHFFFAOYSA-N -1 0 335.397 3.532 20 0 EHADRM O=C([O-])Nc1ccc(Cc2nc(-c3ccc(F)c(F)c3)no2)cc1 ZINC000740703122 602406771 /nfs/dbraw/zinc/40/67/71/602406771.db2.gz NRFRMAWIMCHRGH-UHFFFAOYSA-N -1 0 331.278 3.696 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc([C@H]2CCCc3ccccc32)n1 ZINC000738814630 602406899 /nfs/dbraw/zinc/40/68/99/602406899.db2.gz DHLJIZOMABNYQE-LSDHHAIUSA-N -1 0 329.400 3.893 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(-c2nccc3ccccc32)n1 ZINC000738816480 602408444 /nfs/dbraw/zinc/40/84/44/602408444.db2.gz KIPLKCJKLWQNOF-CYBMUJFWSA-N -1 0 326.356 3.640 20 0 EHADRM Cc1ccc(C(=O)CCc2nc([C@@H](CC(C)C)NC(=O)[O-])no2)cc1 ZINC000740103924 602408618 /nfs/dbraw/zinc/40/86/18/602408618.db2.gz PQWGBRCGSXHKCV-CQSZACIVSA-N -1 0 345.399 3.548 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(C[C@@H](C)c2ccc(F)cc2)n1 ZINC000738817960 602409881 /nfs/dbraw/zinc/40/98/81/602409881.db2.gz WDECVQXUTPKDMZ-BXUZGUMPSA-N -1 0 335.379 3.910 20 0 EHADRM COc1ccc([C@H](C)c2nc([C@@H](CC(C)C)NC(=O)[O-])no2)cc1 ZINC000739894977 602410024 /nfs/dbraw/zinc/41/00/24/602410024.db2.gz GZKJMEVUNMNSDB-SMDDNHRTSA-N -1 0 333.388 3.585 20 0 EHADRM C[C@@H](NC(=O)[O-])c1nc(-c2ccc(COc3ccccc3)cc2)no1 ZINC000739018095 602415056 /nfs/dbraw/zinc/41/50/56/602415056.db2.gz KZHHSNMCDQDSPQ-GFCCVEGCSA-N -1 0 339.351 3.644 20 0 EHADRM O=C([O-])NC1(c2noc(C[C@@H]3CCCc4ccccc43)n2)CCCC1 ZINC000740550455 602415364 /nfs/dbraw/zinc/41/53/64/602415364.db2.gz XHYSHMPQTBVVHG-AWEZNQCLSA-N -1 0 341.411 3.769 20 0 EHADRM O=C([O-])NC1(c2noc(-c3cc4cc(Cl)ccc4o3)n2)CCC1 ZINC000740548172 602418786 /nfs/dbraw/zinc/41/87/86/602418786.db2.gz OVAQNHSHOAYPFU-UHFFFAOYSA-N -1 0 333.731 3.783 20 0 EHADRM O=C([O-])NCc1cccc(OCc2coc(-c3cccc(F)c3)n2)c1 ZINC000740681930 602425988 /nfs/dbraw/zinc/42/59/88/602425988.db2.gz XGRQHOUDLSMFBQ-UHFFFAOYSA-N -1 0 342.326 3.827 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=S)NCc3ccccc3)ccc21 ZINC000740523737 602431978 /nfs/dbraw/zinc/43/19/78/602431978.db2.gz LSWVVRUGMDSBLN-UHFFFAOYSA-N -1 0 341.436 3.604 20 0 EHADRM C[C@@H](CCc1ccccc1)NC(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000738910291 602451135 /nfs/dbraw/zinc/45/11/35/602451135.db2.gz WIVPALWUUGEPLT-AWEZNQCLSA-N -1 0 341.411 3.597 20 0 EHADRM CC[C@H](CNC(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccccc1 ZINC000739257693 602451385 /nfs/dbraw/zinc/45/13/85/602451385.db2.gz KIXPUBOMGVFJLZ-OAHLLOKOSA-N -1 0 341.411 3.770 20 0 EHADRM Cc1ccc([C@@H](C)N(C)C(=O)Nc2cccc(CNC(=O)[O-])c2)cc1 ZINC000740115580 602451503 /nfs/dbraw/zinc/45/15/03/602451503.db2.gz WVFUOSJMAFZGDB-CQSZACIVSA-N -1 0 341.411 3.988 20 0 EHADRM CC(=O)c1cccc(NC(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000738601759 602453395 /nfs/dbraw/zinc/45/33/95/602453395.db2.gz NFYLBITYOZDYDN-QGZVFWFLSA-N -1 0 340.379 3.617 20 0 EHADRM CC(C)c1cccc(C(C)C)c1NC(=S)N[C@H]1CCN(C(=O)[O-])C1 ZINC000738876712 602458756 /nfs/dbraw/zinc/45/87/56/602458756.db2.gz OGUJKTGXJQHYJZ-ZDUSSCGKSA-N -1 0 349.500 3.972 20 0 EHADRM O=C([O-])N1CCc2ccc(NC(=S)Nc3ccccc3)cc2C1 ZINC000740529284 602459684 /nfs/dbraw/zinc/45/96/84/602459684.db2.gz FEOXDQJBNBKNCX-UHFFFAOYSA-N -1 0 327.409 3.532 20 0 EHADRM CC(C)c1cccc(NC(=O)N2CCC([C@H](C)NC(=O)[O-])CC2)c1 ZINC000738876329 602465205 /nfs/dbraw/zinc/46/52/05/602465205.db2.gz JMZFEPQKNUPOIA-ZDUSSCGKSA-N -1 0 333.432 3.710 20 0 EHADRM CCCc1ccccc1NC(=O)N1CCC([C@@H](C)NC(=O)[O-])CC1 ZINC000739372412 602466024 /nfs/dbraw/zinc/46/60/24/602466024.db2.gz HXFMAIFBMVEIOU-CYBMUJFWSA-N -1 0 333.432 3.539 20 0 EHADRM Cc1ccc2c(Cl)c(C(=O)NC(C)(C)CNC(=O)[O-])sc2c1 ZINC000740153454 602475143 /nfs/dbraw/zinc/47/51/43/602475143.db2.gz LTJVJMONGTVILC-UHFFFAOYSA-N -1 0 340.832 3.639 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2ccccc2N2CCCC2)ccc1F ZINC000740699677 602482150 /nfs/dbraw/zinc/48/21/50/602482150.db2.gz TZHFUSSZRMMUJU-UHFFFAOYSA-N -1 0 343.358 3.768 20 0 EHADRM C[C@H](CNC(=O)c1ccc(F)c(NC(=O)[O-])c1)c1ccc(F)cc1 ZINC000738939412 602486151 /nfs/dbraw/zinc/48/61/51/602486151.db2.gz MPFKZJLSSIIPIX-SNVBAGLBSA-N -1 0 334.322 3.588 20 0 EHADRM Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000740083591 602499279 /nfs/dbraw/zinc/49/92/79/602499279.db2.gz WBFFGDLJJZAVHA-UHFFFAOYSA-N -1 0 334.759 3.756 20 0 EHADRM Cc1ccc(Cl)c(OCC(=O)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000740131494 602499378 /nfs/dbraw/zinc/49/93/78/602499378.db2.gz DNQHAWMOUGPPPT-UHFFFAOYSA-N -1 0 334.759 3.756 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)cc1 ZINC000740712371 602501708 /nfs/dbraw/zinc/50/17/08/602501708.db2.gz QNNJSVXCXLIBPY-UHFFFAOYSA-N -1 0 328.221 3.585 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)CCCOc2cccc(F)c2)cc1 ZINC000740709343 602503529 /nfs/dbraw/zinc/50/35/29/602503529.db2.gz YQCCKDNSYCYJCL-UHFFFAOYSA-N -1 0 332.331 3.713 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2ccc(OCC3CC3)cc2)cc1 ZINC000740712009 602504053 /nfs/dbraw/zinc/50/40/53/602504053.db2.gz IXELCCZXOVGTRO-UHFFFAOYSA-N -1 0 326.352 3.818 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)c3cc4c(s3)CCC4)ccc21 ZINC000740465541 602507437 /nfs/dbraw/zinc/50/74/37/602507437.db2.gz RVNKJAMHYSNGGB-UHFFFAOYSA-N -1 0 342.420 3.920 20 0 EHADRM COc1ccccc1CC(C)(C)NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000738124214 602510668 /nfs/dbraw/zinc/51/06/68/602510668.db2.gz OXRQTDSHDBPPCB-UHFFFAOYSA-N -1 0 342.395 3.536 20 0 EHADRM CCN(CC)c1ccc(C(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000739410885 602575930 /nfs/dbraw/zinc/57/59/30/602575930.db2.gz FGJGJHRJVUTUCI-UHFFFAOYSA-N -1 0 327.384 3.875 20 0 EHADRM CCCCCc1ccc(NC(=O)N2CCC(NC(=O)[O-])CC2)cc1 ZINC000739326891 602582095 /nfs/dbraw/zinc/58/20/95/602582095.db2.gz NXCOFQBXJXPSIM-UHFFFAOYSA-N -1 0 333.432 3.683 20 0 EHADRM Cc1cccc(C)c1OCCNC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000740165591 602600407 /nfs/dbraw/zinc/60/04/07/602600407.db2.gz FKUKYMDDEMTPAW-UHFFFAOYSA-N -1 0 343.383 3.594 20 0 EHADRM O=C([O-])NCc1ccc2c(c1)CCCN2C(=O)c1ccc2cc[nH]c2c1 ZINC000740676488 602645026 /nfs/dbraw/zinc/64/50/26/602645026.db2.gz RVHLJUMUWLKNAR-UHFFFAOYSA-N -1 0 349.390 3.529 20 0 EHADRM O=C([O-])NC1(C(=O)OCc2cc3ccccc3nc2Cl)CCCC1 ZINC000740545017 602652743 /nfs/dbraw/zinc/65/27/43/602652743.db2.gz NOUVNMMQJREZMJ-UHFFFAOYSA-N -1 0 348.786 3.512 20 0 EHADRM CCCc1ccccc1NC(=O)NCC[C@H]1CCCN(C(=O)[O-])C1 ZINC000739377828 602654383 /nfs/dbraw/zinc/65/43/83/602654383.db2.gz DMGRIQUWMUCKNK-CQSZACIVSA-N -1 0 333.432 3.541 20 0 EHADRM CC[C@H](Nc1ccccc1)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739272371 602668491 /nfs/dbraw/zinc/66/84/91/602668491.db2.gz QGYUROPQRYMOMU-INIZCTEOSA-N -1 0 339.395 3.556 20 0 EHADRM COc1ccc(NC(=O)[C@H](C)c2ccccc2F)cc1NC(=O)[O-] ZINC000739917947 602684685 /nfs/dbraw/zinc/68/46/85/602684685.db2.gz YXGQHIQBZVUSCM-SNVBAGLBSA-N -1 0 332.331 3.666 20 0 EHADRM O=C([O-])NCc1cccc(OC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000740680791 602728078 /nfs/dbraw/zinc/72/80/78/602728078.db2.gz VFZFHDNEZJLRSX-RYUDHWBXSA-N -1 0 345.317 3.728 20 0 EHADRM C[C@@H](NC(=O)[O-])C1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000739017523 602757274 /nfs/dbraw/zinc/75/72/74/602757274.db2.gz WJBHMSUZVIZPFV-SECBINFHSA-N -1 0 345.226 3.502 20 0 EHADRM CCN(Cc1cccc(NC(=O)CCc2csc(C)n2)c1)C(=O)[O-] ZINC000739440739 602776964 /nfs/dbraw/zinc/77/69/64/602776964.db2.gz GSRINYASNWMTQD-UHFFFAOYSA-N -1 0 347.440 3.523 20 0 EHADRM CCCn1ccc2cc(NC(=O)c3ccc(CNC(=O)[O-])o3)ccc21 ZINC000826965023 602779742 /nfs/dbraw/zinc/77/97/42/602779742.db2.gz PEACOXGLWAAONK-UHFFFAOYSA-N -1 0 341.367 3.664 20 0 EHADRM CC(C)CC[C@H](NC(=O)N1CCC(CNC(=O)[O-])CC1)C(C)(C)C ZINC000738819114 602807316 /nfs/dbraw/zinc/80/73/16/602807316.db2.gz JUSIMKDUFAJNPF-HNNXBMFYSA-N -1 0 341.496 3.527 20 0 EHADRM Cc1ccc(N(C)C(=O)[C@H](C)[C@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000830332759 602807439 /nfs/dbraw/zinc/80/74/39/602807439.db2.gz BXHGPFAIUZUADB-PBHICJAKSA-N -1 0 326.396 3.603 20 0 EHADRM Cc1cc(-c2csc(CN(C)C(=O)[O-])n2)c(C)n1CC(F)(F)F ZINC000740050178 602810661 /nfs/dbraw/zinc/81/06/61/602810661.db2.gz XCURJUWUOIASMN-UHFFFAOYSA-N -1 0 347.362 3.901 20 0 EHADRM Cc1ccc(C[C@H](C)N(C)C(=O)c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000740123600 602816201 /nfs/dbraw/zinc/81/62/01/602816201.db2.gz NCDKVHFJOPFLRS-ZDUSSCGKSA-N -1 0 344.386 3.927 20 0 EHADRM C[C@H](CNC(=O)c1cccc(NC(=O)[O-])c1)Oc1ccccc1Cl ZINC000736605600 602818909 /nfs/dbraw/zinc/81/89/09/602818909.db2.gz KXMKLFVRFGCDGS-LLVKDONJSA-N -1 0 348.786 3.627 20 0 EHADRM CC[C@H](Cc1ccccc1)NC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000826594521 602837210 /nfs/dbraw/zinc/83/72/10/602837210.db2.gz WKBNTKZYWAWGOP-MRXNPFEDSA-N -1 0 326.396 3.836 20 0 EHADRM CC(C)(NC(=O)C1CCC(NC(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000738752361 602839983 /nfs/dbraw/zinc/83/99/83/602839983.db2.gz IRSXZTCSDMQMKU-UHFFFAOYSA-N -1 0 338.835 3.518 20 0 EHADRM Cc1ccc(N(C)C(=O)Cc2ccc(NC(=O)[O-])cc2)cc1Cl ZINC000740130542 602844335 /nfs/dbraw/zinc/84/43/35/602844335.db2.gz YFXUROZUBQYJRI-UHFFFAOYSA-N -1 0 332.787 3.944 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(C)c(NC(=O)[O-])c1)c1nc(C)cs1 ZINC000826614115 602863960 /nfs/dbraw/zinc/86/39/60/602863960.db2.gz ZQIYUHQJHHJGPK-GFCCVEGCSA-N -1 0 333.413 3.731 20 0 EHADRM C[C@H](CCNC(=O)c1ccccc1Sc1ccccc1)NC(=O)[O-] ZINC000738902716 602876626 /nfs/dbraw/zinc/87/66/26/602876626.db2.gz DVSADJKHMCBZOL-CYBMUJFWSA-N -1 0 344.436 3.614 20 0 EHADRM CSc1ccc(NC(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)nc1 ZINC000740020727 602927010 /nfs/dbraw/zinc/92/70/10/602927010.db2.gz TTXQVNFHTVIGGR-CQSZACIVSA-N -1 0 345.424 3.531 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc([C@@H](C)Cc2ccccc2F)n1 ZINC000738817123 602930044 /nfs/dbraw/zinc/93/00/44/602930044.db2.gz QDSOQTCYLNGEPX-FZMZJTMJSA-N -1 0 335.379 3.910 20 0 EHADRM CC(C)(NC(=O)CC[C@H](NC(=O)[O-])c1ccccc1)c1cccs1 ZINC000738752286 602952968 /nfs/dbraw/zinc/95/29/68/602952968.db2.gz GBLALFAJDPYJQQ-AWEZNQCLSA-N -1 0 346.452 3.889 20 0 EHADRM Cc1cc(OCc2ccccc2)ccc1NC(=O)C[C@@H](C)NC(=O)[O-] ZINC000830128787 602956183 /nfs/dbraw/zinc/95/61/83/602956183.db2.gz HPGZOHJRQMJXON-CQSZACIVSA-N -1 0 342.395 3.559 20 0 EHADRM Cc1cc(F)cc2[nH]c(C(=O)Nc3cccc(CNC(=O)[O-])c3)cc21 ZINC000740083828 602958845 /nfs/dbraw/zinc/95/88/45/602958845.db2.gz ZMGJJQPGNARCLV-UHFFFAOYSA-N -1 0 341.342 3.635 20 0 EHADRM COCc1c2ccccc2oc1C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000738071334 602960515 /nfs/dbraw/zinc/96/05/15/602960515.db2.gz HPRMJTKUICBLDL-UHFFFAOYSA-N -1 0 341.319 3.888 20 0 EHADRM CCCCOc1ccc(NC(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])c(C)c1 ZINC000739339705 602966977 /nfs/dbraw/zinc/96/69/77/602966977.db2.gz QQWHKOAHNSJEKU-HOCLYGCPSA-N -1 0 334.416 3.549 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)c2sccc2Br)cc1 ZINC000738669928 602967118 /nfs/dbraw/zinc/96/71/18/602967118.db2.gz WKGWCMFKPWOQML-UHFFFAOYSA-N -1 0 342.170 3.820 20 0 EHADRM CSc1ccc(O[C@H](C)C(=O)Oc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738145285 602967953 /nfs/dbraw/zinc/96/79/53/602967953.db2.gz JHXAUVSOQLZDQT-LLVKDONJSA-N -1 0 347.392 3.871 20 0 EHADRM CC(C)(CC(=O)Nc1ccc2nc(C3CC3)sc2c1)NC(=O)[O-] ZINC000738734026 602973950 /nfs/dbraw/zinc/97/39/50/602973950.db2.gz DARPNYBTBFCGEH-UHFFFAOYSA-N -1 0 333.413 3.549 20 0 EHADRM Cc1ccc([C@H]2CCCCCN2C(=O)C[C@H]2CCCN2C(=O)[O-])o1 ZINC000830284032 602975721 /nfs/dbraw/zinc/97/57/21/602975721.db2.gz YPYDWLACJVFSQY-HUUCEWRRSA-N -1 0 334.416 3.564 20 0 EHADRM C[C@H](OC(=O)c1cccn1C1CCN(C(=O)[O-])CC1)c1ccccc1 ZINC000739041722 602994250 /nfs/dbraw/zinc/99/42/50/602994250.db2.gz FXESZEZHURJRIP-AWEZNQCLSA-N -1 0 342.395 3.721 20 0 EHADRM C[C@@H](OC(=O)c1cccn1C1CCN(C(=O)[O-])CC1)c1ccccc1 ZINC000739041723 602994396 /nfs/dbraw/zinc/99/43/96/602994396.db2.gz FXESZEZHURJRIP-CQSZACIVSA-N -1 0 342.395 3.721 20 0 EHADRM CS[C@H]1CCC[C@H](NC(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])C1 ZINC000739996773 602997785 /nfs/dbraw/zinc/99/77/85/602997785.db2.gz CJOKFUWZJOSTTR-JSGCOSHPSA-N -1 0 349.456 3.523 20 0 EHADRM C/C(=C/c1nc(C2(NC(=O)[O-])CCCC2)no1)c1cccc(F)c1 ZINC000738502570 603001283 /nfs/dbraw/zinc/00/12/83/603001283.db2.gz CDNKVIATMDMQBH-LUAWRHEFSA-N -1 0 331.347 3.806 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)NC[C@@H]1CCCN1C(=O)[O-] ZINC000738761179 603002130 /nfs/dbraw/zinc/00/21/30/603002130.db2.gz XUIQOYSNCZSMCW-AWEZNQCLSA-N -1 0 348.468 3.617 20 0 EHADRM COc1cc(NC(=O)c2cc3cc(F)ccc3o2)ccc1NC(=O)[O-] ZINC000739864911 603006924 /nfs/dbraw/zinc/00/69/24/603006924.db2.gz ALYVWHPFQRVIDU-UHFFFAOYSA-N -1 0 344.298 3.923 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc(-c2[nH]c3ccccc3c2Cl)n1 ZINC000738911216 603019923 /nfs/dbraw/zinc/01/99/23/603019923.db2.gz QUWKVELFYAZMAK-MRVPVSSYSA-N -1 0 334.763 3.585 20 0 EHADRM Cc1ccc(-c2noc(CNc3cc(NC(=O)[O-])ccc3F)n2)cc1 ZINC000740101812 603020543 /nfs/dbraw/zinc/02/05/43/603020543.db2.gz HXFXJXWDFIAJIY-UHFFFAOYSA-N -1 0 342.330 3.886 20 0 EHADRM Cc1c(-c2nc([C@H](C)CN(C)C(=O)[O-])no2)sc2nccc(C)c12 ZINC000740194638 603021209 /nfs/dbraw/zinc/02/12/09/603021209.db2.gz FRBGBBLXYIDWIO-SECBINFHSA-N -1 0 346.412 3.676 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc(-c2ccc(SC(F)F)cc2)n1 ZINC000738907672 603021253 /nfs/dbraw/zinc/02/12/53/603021253.db2.gz HZMICHMHLMZNAU-MRVPVSSYSA-N -1 0 343.355 3.765 20 0 EHADRM COc1cccc([C@H](C)NC(=O)Nc2cc(NC(=O)[O-])ccc2F)c1 ZINC000739946935 603034754 /nfs/dbraw/zinc/03/47/54/603034754.db2.gz ZMNHKIABOOPWQG-JTQLQIEISA-N -1 0 347.346 3.807 20 0 EHADRM CC(C)(CC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1)NC(=O)[O-] ZINC000738731576 603047003 /nfs/dbraw/zinc/04/70/03/603047003.db2.gz MNVGJEOWCJHHQS-MRXNPFEDSA-N -1 0 343.427 3.658 20 0 EHADRM CC(C)c1ccccc1OCC(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000824476532 603050764 /nfs/dbraw/zinc/05/07/64/603050764.db2.gz MRYCIAQVAKRSJU-UHFFFAOYSA-N -1 0 343.379 3.909 20 0 EHADRM COc1ccc(NC(=O)[C@@H]2CSc3ccccc32)cc1NC(=O)[O-] ZINC000739921767 603053887 /nfs/dbraw/zinc/05/38/87/603053887.db2.gz SQTDGIAIALYUPI-GFCCVEGCSA-N -1 0 344.392 3.613 20 0 EHADRM CC(C)N(CCC(=O)Nc1cccc(CC(F)(F)F)c1)C(=O)[O-] ZINC000824341945 603081976 /nfs/dbraw/zinc/08/19/76/603081976.db2.gz ZMAIYZLHIWYDMR-UHFFFAOYSA-N -1 0 332.322 3.508 20 0 EHADRM Cc1cc(C)cc(NC(=O)CNc2ccc([C@@H](C)NC(=O)[O-])cc2)c1 ZINC000740065380 603103950 /nfs/dbraw/zinc/10/39/50/603103950.db2.gz ABKDCOIWJMVNRZ-CQSZACIVSA-N -1 0 341.411 3.683 20 0 EHADRM CCc1ccccc1NC(=O)CNc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000739548691 603105271 /nfs/dbraw/zinc/10/52/71/603105271.db2.gz FVRUNGLCYJQUEP-CYBMUJFWSA-N -1 0 341.411 3.628 20 0 EHADRM CC[C@@H](CC1CCCCC1)C(=O)N1CCC([C@@H](C)NC(=O)[O-])CC1 ZINC000739258951 603112087 /nfs/dbraw/zinc/11/20/87/603112087.db2.gz YISJAROGWLPMTE-ZBFHGGJFSA-N -1 0 338.492 3.878 20 0 EHADRM O=C([O-])NC[C@H](NC(=O)Nc1cccc(-c2cccs2)c1)C1CC1 ZINC000740608229 603117511 /nfs/dbraw/zinc/11/75/11/603117511.db2.gz LFALMKLKCYZPRR-AWEZNQCLSA-N -1 0 345.424 3.583 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CCC[C@@]3(CC=CCC3)C2)ccc1F ZINC000740692737 603134812 /nfs/dbraw/zinc/13/48/12/603134812.db2.gz GARIQTHXIGNUEQ-SFHVURJKSA-N -1 0 332.375 3.878 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)Nc2nc(-c3ccccc3)cs2)C1 ZINC000740561542 603149306 /nfs/dbraw/zinc/14/93/06/603149306.db2.gz DEFCOQDHEZOCNF-QWHCGFSZSA-N -1 0 345.424 3.575 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@H](C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000740576358 603149457 /nfs/dbraw/zinc/14/94/57/603149457.db2.gz UCKIRSREVIQMOD-WPRPVWTQSA-N -1 0 331.199 3.758 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739439801 603154988 /nfs/dbraw/zinc/15/49/88/603154988.db2.gz OCTZXILZEIZFSY-QWRGUYRKSA-N -1 0 344.864 3.576 20 0 EHADRM C[C@@H](Oc1ccc(NC(=O)[O-])cc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000825616792 603157105 /nfs/dbraw/zinc/15/71/05/603157105.db2.gz KKACDJWFJQTEBG-CHWSQXEVSA-N -1 0 340.379 3.522 20 0 EHADRM Cc1cc(C)c(NC(=O)COc2ccc(N(C)C(=O)[O-])cc2)c(C)c1 ZINC000829990753 603160164 /nfs/dbraw/zinc/16/01/64/603160164.db2.gz HBCZIEVMFWITAU-UHFFFAOYSA-N -1 0 342.395 3.744 20 0 EHADRM CN(Cc1ccc2ccccc2c1)C(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000739712477 603163480 /nfs/dbraw/zinc/16/34/80/603163480.db2.gz BHRZKPKDRVRVGC-ROUUACIJSA-N -1 0 340.423 3.625 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)[C@@H]2Cc3ccccc3S2)cc1 ZINC000825418084 603170816 /nfs/dbraw/zinc/17/08/16/603170816.db2.gz RZHGVPIXFWTAER-BZNIZROVSA-N -1 0 342.420 3.671 20 0 EHADRM CSCCCC(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000740009464 603175207 /nfs/dbraw/zinc/17/52/07/603175207.db2.gz FQOKPIONPZFHMJ-UHFFFAOYSA-N -1 0 336.335 3.877 20 0 EHADRM O=C([O-])N1CCc2c(cccc2NC(=O)c2cccc3cccnc32)C1 ZINC000740473789 603175461 /nfs/dbraw/zinc/17/54/61/603175461.db2.gz KYWFWHRBQJZWDL-UHFFFAOYSA-N -1 0 347.374 3.523 20 0 EHADRM COc1ccc(Cl)cc1C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000829404184 603175701 /nfs/dbraw/zinc/17/57/01/603175701.db2.gz JNVGNKLDBXHXQJ-SNVBAGLBSA-N -1 0 348.786 3.930 20 0 EHADRM C[C@@H](C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1)c1cccc(F)c1 ZINC000825415594 603176393 /nfs/dbraw/zinc/17/63/93/603176393.db2.gz HAAHYHDNLPEUEI-NEPJUHHUSA-N -1 0 330.359 3.897 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)[C@@H]2CCOc3ccccc32)cc1 ZINC000825416953 603176398 /nfs/dbraw/zinc/17/63/98/603176398.db2.gz NKMHXUHPUCXGPM-MLGOLLRUSA-N -1 0 340.379 3.520 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)CO[C@H]2CCCC[C@@H]2C)cc1 ZINC000825423395 603177565 /nfs/dbraw/zinc/17/75/65/603177565.db2.gz PXIVXSKKXQUUTE-XEZPLFJOSA-N -1 0 334.416 3.549 20 0 EHADRM O=C([O-])N1CCc2c(cccc2NC(=O)c2cc3occc3s2)C1 ZINC000740473158 603179748 /nfs/dbraw/zinc/17/97/48/603179748.db2.gz BFONGXOLLZMJAG-UHFFFAOYSA-N -1 0 342.376 3.783 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)[C@@H]2CSc3ccccc32)cc1 ZINC000825415719 603180366 /nfs/dbraw/zinc/18/03/66/603180366.db2.gz HSNZBFQBOCNVTH-IAQYHMDHSA-N -1 0 342.420 3.843 20 0 EHADRM Cc1ccc(NC(=O)c2cccc(NC(=O)[O-])c2)cc1OC(F)F ZINC000738629115 603180637 /nfs/dbraw/zinc/18/06/37/603180637.db2.gz ZFTGNGOEUDLKOI-UHFFFAOYSA-N -1 0 336.294 3.939 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2cn(C)c3ccccc23)cc1 ZINC000825449140 603192037 /nfs/dbraw/zinc/19/20/37/603192037.db2.gz KTKLAUIFPYDLHR-GFCCVEGCSA-N -1 0 337.379 3.759 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCC[C@H]2c2cccnc2)c(Cl)c1 ZINC000740700235 603210305 /nfs/dbraw/zinc/21/03/05/603210305.db2.gz UCKHCRWWPLIPSN-HNNXBMFYSA-N -1 0 345.786 3.802 20 0 EHADRM COCc1cccc(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)c1 ZINC000739843169 603216548 /nfs/dbraw/zinc/21/65/48/603216548.db2.gz NCLMDDMKAGYPOB-UHFFFAOYSA-N -1 0 334.759 3.829 20 0 EHADRM CCOc1ccc(CN(C)C(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1 ZINC000827428813 603227182 /nfs/dbraw/zinc/22/71/82/603227182.db2.gz YABAHDXXYBICNJ-UHFFFAOYSA-N -1 0 342.395 3.756 20 0 EHADRM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)CCC(C)(C)NC(=O)[O-])o1 ZINC000830282594 603230612 /nfs/dbraw/zinc/23/06/12/603230612.db2.gz RVAGFBWPFWEZKP-TZMCWYRMSA-N -1 0 336.432 3.714 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@H]2C[C@@H]2c2ccccc2)c(Cl)c1 ZINC000740698437 603231055 /nfs/dbraw/zinc/23/10/55/603231055.db2.gz LFJXJAAJGQFRFJ-HIFRSBDPSA-N -1 0 330.771 3.716 20 0 EHADRM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CCCN(C)C(=O)[O-])o1 ZINC000827585078 603232389 /nfs/dbraw/zinc/23/23/89/603232389.db2.gz ZGEAXKPTVQNMKA-HIFRSBDPSA-N -1 0 336.432 3.532 20 0 EHADRM CSc1cccc(NC(=O)[C@H](C)[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000829772367 603240985 /nfs/dbraw/zinc/24/09/85/603240985.db2.gz VBVCKVWQYOSLOY-WBMJQRKESA-N -1 0 344.436 3.992 20 0 EHADRM COc1ccc(NC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)cc1 ZINC000829469309 603245504 /nfs/dbraw/zinc/24/55/04/603245504.db2.gz KZCZIPHXYXFSOP-NSHDSACASA-N -1 0 329.356 3.668 20 0 EHADRM Cc1ccc(C(=O)N2CCc3sccc3[C@H]2C)cc1NC(=O)[O-] ZINC000830198740 603249833 /nfs/dbraw/zinc/24/98/33/603249833.db2.gz NKVMELBFZNDHOE-LLVKDONJSA-N -1 0 330.409 3.906 20 0 EHADRM Cc1nc(NC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)sc1C ZINC000830770807 603260581 /nfs/dbraw/zinc/26/05/81/603260581.db2.gz UPTBPYUDDIALCV-SECBINFHSA-N -1 0 334.401 3.733 20 0 EHADRM Cc1ccc(C(=O)Nc2cc3c(cc2Cl)OCO3)cc1NC(=O)[O-] ZINC000830230334 603263562 /nfs/dbraw/zinc/26/35/62/603263562.db2.gz FGIOPOCPFUXZCL-UHFFFAOYSA-N -1 0 348.742 3.719 20 0 EHADRM COc1cc(F)ccc1NC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000829142636 603269452 /nfs/dbraw/zinc/26/94/52/603269452.db2.gz SLRMTRIWYVRNBY-SNVBAGLBSA-N -1 0 347.346 3.807 20 0 EHADRM Cc1nc2cc(NC(=O)c3ccc(NC(=O)[O-])cc3Cl)ccc2[nH]1 ZINC000740230309 603270436 /nfs/dbraw/zinc/27/04/36/603270436.db2.gz UEQAATCVKQCGHO-UHFFFAOYSA-N -1 0 344.758 3.867 20 0 EHADRM COc1ccc(NC(=O)N2CCC(C(C)C)CC2)cc1NC(=O)[O-] ZINC000829461204 603272859 /nfs/dbraw/zinc/27/28/59/603272859.db2.gz VTNIIRHGEGPAMW-UHFFFAOYSA-N -1 0 335.404 3.685 20 0 EHADRM CCOc1cccc(NC(=O)[C@@H](NC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000739509737 603283330 /nfs/dbraw/zinc/28/33/30/603283330.db2.gz YAYFJNNIWHGXEL-HNNXBMFYSA-N -1 0 348.786 3.686 20 0 EHADRM O=C([O-])N1CCC[C@@H]1CC(=O)Nc1ccccc1N1CCCCCC1 ZINC000831345482 603283503 /nfs/dbraw/zinc/28/35/03/603283503.db2.gz HAJPLZPBSPKSJA-OAHLLOKOSA-N -1 0 345.443 3.538 20 0 EHADRM O=C([O-])N1CC[C@@H](C(=O)N2CCC[C@H]2c2cccc3ccccc32)C1 ZINC000740493126 603286681 /nfs/dbraw/zinc/28/66/81/603286681.db2.gz DLDOZGULBUCMNP-QAPCUYQASA-N -1 0 338.407 3.503 20 0 EHADRM CC[C@H]1CCCCN1C(=O)Nc1cccc2c1CCN(C(=O)[O-])C2 ZINC000739273691 603295252 /nfs/dbraw/zinc/29/52/52/603295252.db2.gz UYYSTGPVQQDRCQ-AWEZNQCLSA-N -1 0 331.416 3.519 20 0 EHADRM C[C@H](C1CC1)N(C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-])C1CC1 ZINC000824543085 603312243 /nfs/dbraw/zinc/31/22/43/603312243.db2.gz FMHZBZGFFUSATA-GFCCVEGCSA-N -1 0 343.427 3.912 20 0 EHADRM CN(CCCNC(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000739677403 603315241 /nfs/dbraw/zinc/31/52/41/603315241.db2.gz MHSMGWKHLBDBHV-UHFFFAOYSA-N -1 0 343.383 3.600 20 0 EHADRM CC(C)(NC(=O)Nc1ccc(NC(=O)[O-])cc1)c1cccc(F)c1 ZINC000736325081 603318327 /nfs/dbraw/zinc/31/83/27/603318327.db2.gz VXRZENGTGYTIKC-UHFFFAOYSA-N -1 0 331.347 3.972 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N[C@H](Cc2ccccc2)C2CC2)cc1 ZINC000738664617 603318800 /nfs/dbraw/zinc/31/88/00/603318800.db2.gz IGKPJOJVDCDOAA-QGZVFWFLSA-N -1 0 339.395 3.919 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(C)c(NC(=O)[O-])c1)c1ccccc1OC ZINC000826613736 603321270 /nfs/dbraw/zinc/32/12/70/603321270.db2.gz QEQBLQRKTPURBN-OAHLLOKOSA-N -1 0 342.395 3.975 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c1 ZINC000832724845 603321363 /nfs/dbraw/zinc/32/13/63/603321363.db2.gz PSAHTFIKIAJBAR-HZPDHXFCSA-N -1 0 331.416 3.545 20 0 EHADRM C[C@H](C1CC1)N(C(=O)Nc1cccc2c1CCN(C(=O)[O-])C2)C1CC1 ZINC000824545539 603323358 /nfs/dbraw/zinc/32/33/58/603323358.db2.gz YOAOBFFKVDSMRL-GFCCVEGCSA-N -1 0 343.427 3.518 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2cccc(CNC(=O)[O-])c2)cc1C ZINC000740115611 603323561 /nfs/dbraw/zinc/32/35/61/603323561.db2.gz XNWKUXKFBHMZBH-AWEZNQCLSA-N -1 0 341.411 3.954 20 0 EHADRM CCc1ccc(CNC(=O)[C@H](C)[C@H](NC(=O)[O-])c2ccccc2)s1 ZINC000827583510 603334040 /nfs/dbraw/zinc/33/40/40/603334040.db2.gz JYAAXOLTVFIGNQ-WBMJQRKESA-N -1 0 346.452 3.572 20 0 EHADRM CCN(Cc1cccc(NC(=O)NCc2ccsc2)c1)C(=O)[O-] ZINC000739446685 603344880 /nfs/dbraw/zinc/34/48/80/603344880.db2.gz LQPUIYUBKCOEHE-UHFFFAOYSA-N -1 0 333.413 3.570 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N1CCC[C@H]1C1CCC1)C(=O)[O-] ZINC000739448362 603353784 /nfs/dbraw/zinc/35/37/84/603353784.db2.gz SJOAOZSBMDAZGW-KRWDZBQOSA-N -1 0 345.443 3.983 20 0 EHADRM CCN(Cc1ccccc1NC(=O)NCCc1ccccc1)C(=O)[O-] ZINC000739442182 603354613 /nfs/dbraw/zinc/35/46/13/603354613.db2.gz JSFYSEWRUVAMLF-UHFFFAOYSA-N -1 0 341.411 3.551 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N[C@@H](C)C1CCCC1)C(=O)[O-] ZINC000739449169 603356819 /nfs/dbraw/zinc/35/68/19/603356819.db2.gz UWOXXCVNHRHGSY-ZDUSSCGKSA-N -1 0 333.432 3.887 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2cccc(CN(C)C(=O)[O-])c2)o1 ZINC000740113355 603357348 /nfs/dbraw/zinc/35/73/48/603357348.db2.gz MUKBARSNPVAXIV-LBPRGKRZSA-N -1 0 331.372 3.581 20 0 EHADRM CN(Cc1cccc(NC(=O)N(C)Cc2ccsc2)c1)C(=O)[O-] ZINC000739707455 603357700 /nfs/dbraw/zinc/35/77/00/603357700.db2.gz RRRAZRAAOPBCBJ-UHFFFAOYSA-N -1 0 333.413 3.522 20 0 EHADRM C[C@H](c1ccncc1)N(C)C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000825422856 603365387 /nfs/dbraw/zinc/36/53/87/603365387.db2.gz LODSAFADZRLRRG-QWHCGFSZSA-N -1 0 342.399 3.635 20 0 EHADRM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=S)Nc1ccc2ccccc2c1 ZINC000740622496 603376400 /nfs/dbraw/zinc/37/64/00/603376400.db2.gz CNODDAGCPOBHOO-GOEBONIOSA-N -1 0 343.452 3.563 20 0 EHADRM CC(C)c1csc(NC(=O)[C@@H](C)[C@H](NC(=O)[O-])c2ccccc2)n1 ZINC000824482361 603389694 /nfs/dbraw/zinc/38/96/94/603389694.db2.gz LCVJFVSSFXDRRT-FZMZJTMJSA-N -1 0 347.440 3.850 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)Cc1ccc(NC(=O)[O-])cc1)C(C)C ZINC000740190707 603393488 /nfs/dbraw/zinc/39/34/88/603393488.db2.gz MNDRGPVTVFNNHL-QGZVFWFLSA-N -1 0 341.411 3.536 20 0 EHADRM Cc1ccc(C(=O)N[C@H]2CCc3c2cccc3F)cc1NC(=O)[O-] ZINC000830211567 603400117 /nfs/dbraw/zinc/40/01/17/603400117.db2.gz UCKNYTDTCBKLNJ-HNNXBMFYSA-N -1 0 328.343 3.641 20 0 EHADRM C[C@H](c1nc(-c2cccs2)no1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000825644594 603406281 /nfs/dbraw/zinc/40/62/81/603406281.db2.gz HEXWKBQNSGTOEP-GXFFZTMASA-N -1 0 329.381 3.911 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@@H](c2nc(CCCc3ccccc3)no2)C1 ZINC000832341428 603418029 /nfs/dbraw/zinc/41/80/29/603418029.db2.gz TUDNJGQXUXUSJO-CABCVRRESA-N -1 0 329.400 3.539 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)Cc2ccc(NC(=O)[O-])cc2)c1C ZINC000740160376 603420844 /nfs/dbraw/zinc/42/08/44/603420844.db2.gz WVKWNWHLPDRAJS-AWEZNQCLSA-N -1 0 326.396 3.813 20 0 EHADRM CC(C)(C)C(=O)c1ccsc1NC(=O)CCC(C)(C)NC(=O)[O-] ZINC000738743521 603423684 /nfs/dbraw/zinc/42/36/84/603423684.db2.gz CWESKRVDKHGUAB-UHFFFAOYSA-N -1 0 340.445 3.742 20 0 EHADRM CC(C)[C@@H](CC1CCCCC1)C(=O)N1CCC[C@H](CNC(=O)[O-])C1 ZINC000738772304 603426236 /nfs/dbraw/zinc/42/62/36/603426236.db2.gz FKLKSEITTMLHST-IAGOWNOFSA-N -1 0 338.492 3.735 20 0 EHADRM C[C@@H](CC(=O)Nc1nc(-c2ccc(Cl)s2)cs1)NC(=O)[O-] ZINC000824710761 603436035 /nfs/dbraw/zinc/43/60/35/603436035.db2.gz LMAZFZCXYSQFOO-LURJTMIESA-N -1 0 345.833 3.510 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc1F ZINC000830252682 603445466 /nfs/dbraw/zinc/44/54/66/603445466.db2.gz ZTULNGZYYZNWCE-WYQXTGKHSA-N -1 0 348.418 3.622 20 0 EHADRM CC(C)(CNC(=O)Nc1ccccc1-c1ccccc1)NC(=O)[O-] ZINC000823946869 603456322 /nfs/dbraw/zinc/45/63/22/603456322.db2.gz LTFVHEIOKBKEHX-UHFFFAOYSA-N -1 0 327.384 3.521 20 0 EHADRM Cc1cccc(C)c1NC(=S)NCCc1ccc(NC(=O)[O-])cc1 ZINC000738687975 603461247 /nfs/dbraw/zinc/46/12/47/603461247.db2.gz HQAMFUJIIWFYBZ-UHFFFAOYSA-N -1 0 343.452 3.922 20 0 EHADRM CC(C)[C@H]1CCN(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])C1 ZINC000824157397 603469224 /nfs/dbraw/zinc/46/92/24/603469224.db2.gz KHWANDVWZCGQTM-AWEZNQCLSA-N -1 0 331.416 3.627 20 0 EHADRM CCc1ccc(C(=O)CCC(=O)Oc2cccc(NC(=O)[O-])c2)cc1 ZINC000827569274 603475610 /nfs/dbraw/zinc/47/56/10/603475610.db2.gz KEDJPKVWVVNNBJ-UHFFFAOYSA-N -1 0 341.363 3.907 20 0 EHADRM CC(C)C(=O)Nc1ccc(C(=O)Oc2cccc(NC(=O)[O-])c2)cc1 ZINC000824049963 603481278 /nfs/dbraw/zinc/48/12/78/603481278.db2.gz SYRGZGNXEPXCQZ-UHFFFAOYSA-N -1 0 342.351 3.590 20 0 EHADRM O=C([O-])N1CCCN(C(=O)c2cccc3cnccc32)c2ccccc21 ZINC000832015233 603527522 /nfs/dbraw/zinc/52/75/22/603527522.db2.gz KGYBHXDSUXKNAT-UHFFFAOYSA-N -1 0 347.374 3.770 20 0 EHADRM CCCCN(C(=O)c1cc(Cl)c(NC(=O)[O-])cc1OC)C1CC1 ZINC000826830589 603530059 /nfs/dbraw/zinc/53/00/59/603530059.db2.gz QLMBIDLHYQFPCU-UHFFFAOYSA-N -1 0 340.807 3.843 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(-c2cccc3cnccc32)n1 ZINC000824216983 603542770 /nfs/dbraw/zinc/54/27/70/603542770.db2.gz BCDZXYJKDQIQCJ-CQSZACIVSA-N -1 0 326.356 3.640 20 0 EHADRM Cc1ccc(Oc2ccccc2NC(=O)CC2CN(C(=O)[O-])C2)cc1 ZINC000830410342 603561036 /nfs/dbraw/zinc/56/10/36/603561036.db2.gz HEUCMRXYALOIFY-UHFFFAOYSA-N -1 0 340.379 3.726 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1)c1csc2ccccc21 ZINC000825082862 603575368 /nfs/dbraw/zinc/57/53/68/603575368.db2.gz OHLXTRCBLZMENW-SDDRHHMPSA-N -1 0 332.425 3.515 20 0 EHADRM CCCc1ccc(NC(=O)N2CCC(CN(CC)C(=O)[O-])CC2)cc1 ZINC000826953360 603580925 /nfs/dbraw/zinc/58/09/25/603580925.db2.gz HEZRFPBIMOTLDU-UHFFFAOYSA-N -1 0 347.459 3.883 20 0 EHADRM CC(C)(C)c1csc(COC(=O)Cc2ccc(NC(=O)[O-])cc2)n1 ZINC000823863758 603592236 /nfs/dbraw/zinc/59/22/36/603592236.db2.gz CFUQURUIUHCEEB-UHFFFAOYSA-N -1 0 348.424 3.816 20 0 EHADRM Cc1cccc(NC(=O)NC[C@@H](NC(=O)[O-])c2ccccc2)c1Cl ZINC000830517305 603609076 /nfs/dbraw/zinc/60/90/76/603609076.db2.gz VSIZRZROSSWSKD-CQSZACIVSA-N -1 0 347.802 3.779 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2cccc3cnccc32)cc1 ZINC000825449557 603637442 /nfs/dbraw/zinc/63/74/42/603637442.db2.gz TXWWPCKGFCGJGT-GFCCVEGCSA-N -1 0 335.363 3.816 20 0 EHADRM CCN(Cc1cccc(NC(=O)c2c(F)cccc2OC)c1)C(=O)[O-] ZINC000827169462 603656792 /nfs/dbraw/zinc/65/67/92/603656792.db2.gz BVNFVLIGPKBNNC-UHFFFAOYSA-N -1 0 346.358 3.587 20 0 EHADRM CC(C)(CCC(=O)N1CCC(=Cc2ccccc2F)CC1)NC(=O)[O-] ZINC000823886402 603720150 /nfs/dbraw/zinc/72/01/50/603720150.db2.gz SILFPVYNMQDJLJ-UHFFFAOYSA-N -1 0 348.418 3.658 20 0 EHADRM CN(CCCC(=O)Nc1ccccc1CCC(F)(F)F)C(=O)[O-] ZINC000828285832 603727502 /nfs/dbraw/zinc/72/75/02/603727502.db2.gz VKAGAJZTCDLVHB-UHFFFAOYSA-N -1 0 332.322 3.510 20 0 EHADRM CCN(CC1CCN(C(=O)C[C@H](C)c2ccccc2C)CC1)C(=O)[O-] ZINC000827059211 603743568 /nfs/dbraw/zinc/74/35/68/603743568.db2.gz IPRIWELUULPRKQ-INIZCTEOSA-N -1 0 346.471 3.727 20 0 EHADRM CCN(CC1CCN(C(=O)CC/C=C/c2ccccc2)CC1)C(=O)[O-] ZINC000827059798 603753814 /nfs/dbraw/zinc/75/38/14/603753814.db2.gz SJEWXJVSPLVKEN-UXBLZVDNSA-N -1 0 344.455 3.719 20 0 EHADRM CC(C)[C@H](NC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1)c1ccccc1Cl ZINC000824129530 603769055 /nfs/dbraw/zinc/76/90/55/603769055.db2.gz QHYVPIPKRJVHTO-ZOWXZIJZSA-N -1 0 338.835 3.590 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)cc1NC(=O)[O-] ZINC000830205828 603771783 /nfs/dbraw/zinc/77/17/83/603771783.db2.gz UEBUIXFYWZDVDW-ZDUSSCGKSA-N -1 0 344.333 3.936 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1 ZINC000832832735 603780678 /nfs/dbraw/zinc/78/06/78/603780678.db2.gz BWWNQPKWTQXJAO-CQSZACIVSA-N -1 0 346.383 3.883 20 0 EHADRM CC(C)c1csc(NC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])n1 ZINC000824482090 603821821 /nfs/dbraw/zinc/82/18/21/603821821.db2.gz GQJKQXVIYJZMKJ-YOGCLGLASA-N -1 0 337.445 3.516 20 0 EHADRM O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)N1CCC[C@@H]1C1CCCCC1)C2 ZINC000831298688 603851323 /nfs/dbraw/zinc/85/13/23/603851323.db2.gz HXMCKSGRHQSQFW-NXCDMZCRSA-N -1 0 348.487 3.869 20 0 EHADRM O=C([O-])N1CCc2cccc(CNCc3c(F)cccc3Cl)c21 ZINC000832086994 603858057 /nfs/dbraw/zinc/85/80/57/603858057.db2.gz LSANDDNVBHZBRF-UHFFFAOYSA-N -1 0 334.778 3.809 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)Nc2ccccc2NC(=O)[O-])c1 ZINC000829543235 603877714 /nfs/dbraw/zinc/87/77/14/603877714.db2.gz GWJHKXHBGWHYPM-LBPRGKRZSA-N -1 0 328.368 3.917 20 0 EHADRM CCc1ccc(O)c(NC(=O)[C@H](C)[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000827589999 603895944 /nfs/dbraw/zinc/89/59/44/603895944.db2.gz VTFSNHIPHWUEKV-PXAZEXFGSA-N -1 0 342.395 3.538 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Nc2ccccc2NC(=O)[O-])cc1 ZINC000829304212 603922826 /nfs/dbraw/zinc/92/28/26/603922826.db2.gz YGQZTKYVCOCJAH-GFCCVEGCSA-N -1 0 328.368 3.917 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000832337660 603929322 /nfs/dbraw/zinc/92/93/22/603929322.db2.gz CDHSIKRUOHKZBL-QWHCGFSZSA-N -1 0 344.333 3.556 20 0 EHADRM CN(Cc1cc2ccccc2o1)C(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000828350146 603932412 /nfs/dbraw/zinc/93/24/12/603932412.db2.gz BPGFFNJXBWWIOB-UHFFFAOYSA-N -1 0 338.363 3.724 20 0 EHADRM CN(CCCC(=O)Nc1ccc(CNc2ccccc2)cc1)C(=O)[O-] ZINC000828286114 603944475 /nfs/dbraw/zinc/94/44/75/603944475.db2.gz YFZBASBXHQZZNE-UHFFFAOYSA-N -1 0 341.411 3.627 20 0 EHADRM C[C@H](C(=O)Nc1cccc2c1CCN2C(=O)[O-])c1cccc(F)c1 ZINC000823723494 603944825 /nfs/dbraw/zinc/94/48/25/603944825.db2.gz KYXPRMNQISSJDC-NSHDSACASA-N -1 0 328.343 3.608 20 0 EHADRM CC(C)(C)c1ncc(C(=O)Nc2cccc3c2CCN3C(=O)[O-])s1 ZINC000823864986 603946971 /nfs/dbraw/zinc/94/69/71/603946971.db2.gz SPBRFNINYQOPCQ-UHFFFAOYSA-N -1 0 345.424 3.733 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)C1(c2ccccc2)CCC1 ZINC000832070092 603960531 /nfs/dbraw/zinc/96/05/31/603960531.db2.gz WOXKNENCUUICRD-UHFFFAOYSA-N -1 0 336.391 3.788 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)NCc1ccc(Cl)cc1 ZINC000831715581 603965223 /nfs/dbraw/zinc/96/52/23/603965223.db2.gz UNAMPXQPXXNBPY-UHFFFAOYSA-N -1 0 345.786 3.702 20 0 EHADRM Cc1c(COc2ccccc2)cccc1NC(=O)CCCNC(=O)[O-] ZINC000829868173 603965594 /nfs/dbraw/zinc/96/55/94/603965594.db2.gz ZBRVUPZGKSYYKU-UHFFFAOYSA-N -1 0 342.395 3.560 20 0 EHADRM C[C@@H]1CCC[C@H](N(C)C(=O)Nc2cccc3c2CCN3C(=O)[O-])C1 ZINC000825885772 603979108 /nfs/dbraw/zinc/97/91/08/603979108.db2.gz FPTNOLFWADLKJC-OLZOCXBDSA-N -1 0 331.416 3.770 20 0 EHADRM Cc1nc(CN2CCC(NC(=O)[O-])CC2)oc1-c1ccc(Cl)cc1 ZINC000830746789 603997619 /nfs/dbraw/zinc/99/76/19/603997619.db2.gz SBCUSGBNDMMRFY-UHFFFAOYSA-N -1 0 349.818 3.535 20 0 EHADRM CCCN(Cc1ncc(-c2ccccc2C)o1)[C@H]1CCN(C(=O)[O-])C1 ZINC000826916687 604050238 /nfs/dbraw/zinc/05/02/38/604050238.db2.gz PSZLQVKILODGJX-HNNXBMFYSA-N -1 0 343.427 3.614 20 0 EHADRM CC(C)c1ccccc1NC(=O)N1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000824475963 604064500 /nfs/dbraw/zinc/06/45/00/604064500.db2.gz DTJSMCSIUCQZRU-KBPBESRZSA-N -1 0 333.432 3.710 20 0 EHADRM CC(C)c1cccc(NC(=O)N2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)c1 ZINC000824471081 604066899 /nfs/dbraw/zinc/06/68/99/604066899.db2.gz XHDOBQTXHKPQFL-DZGCQCFKSA-N -1 0 333.432 3.710 20 0 EHADRM CCCc1ccc(NC(=O)N(C)C2CCC(NC(=O)[O-])CC2)cc1 ZINC000826953079 604121311 /nfs/dbraw/zinc/12/13/11/604121311.db2.gz BHKBNPPXLBNNPX-UHFFFAOYSA-N -1 0 333.432 3.682 20 0 EHADRM COc1ccc(NC(=O)N2CCC[C@H]3CCC[C@H]32)cc1NC(=O)[O-] ZINC000829460298 604135101 /nfs/dbraw/zinc/13/51/01/604135101.db2.gz JUFCJMATUFSXFE-BXUZGUMPSA-N -1 0 333.388 3.582 20 0 EHADRM CN(Cc1ccccc1NC(=O)N1CCC[C@@H]2CCC[C@H]21)C(=O)[O-] ZINC000828400102 604137892 /nfs/dbraw/zinc/13/78/92/604137892.db2.gz PYDJLXFLZGLXDL-XJKSGUPXSA-N -1 0 331.416 3.593 20 0 EHADRM C[C@@H](c1cccs1)N(C)C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736723718 604191576 /nfs/dbraw/zinc/19/15/76/604191576.db2.gz DROWGNSNIMVBHW-LBPRGKRZSA-N -1 0 347.440 3.783 20 0 EHADRM CC(C)C[C@@H](C)OCCC(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000824183144 604218405 /nfs/dbraw/zinc/21/84/05/604218405.db2.gz OCRVZGSSKCWLGN-CYBMUJFWSA-N -1 0 334.416 3.507 20 0 EHADRM CO[C@@H](C)c1nc(C)c(C(=O)Nc2ccccc2NC(=O)[O-])s1 ZINC000828828395 604243717 /nfs/dbraw/zinc/24/37/17/604243717.db2.gz AEULOKITWLEONH-VIFPVBQESA-N -1 0 335.385 3.501 20 0 EHADRM C[C@@H](OC(=O)c1ccc(CNC(=O)[O-])o1)c1cnc2ccccc2c1 ZINC000825601671 604247356 /nfs/dbraw/zinc/24/73/56/604247356.db2.gz AFRWKPNFDLHQSK-LLVKDONJSA-N -1 0 340.335 3.513 20 0 EHADRM CC(C)(C(=O)NCCc1ccc(NC(=O)[O-])cc1)c1ccccc1F ZINC000736223275 604249758 /nfs/dbraw/zinc/24/97/58/604249758.db2.gz GMXKPOHLNZSDLX-UHFFFAOYSA-N -1 0 344.386 3.552 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)C[C@H]2CCc3ccccc32)cc1 ZINC000740016141 604254687 /nfs/dbraw/zinc/25/46/87/604254687.db2.gz DABNYISAYCFTIX-MRXNPFEDSA-N -1 0 338.407 3.555 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2ccccc2)CC2CCC2)cc1F ZINC000833310090 604273597 /nfs/dbraw/zinc/27/35/97/604273597.db2.gz MOXKBHNGUIPUDH-UHFFFAOYSA-N -1 0 341.382 3.966 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)Nc1cc2c(cc1NC(=O)[O-])OCO2 ZINC000830050014 604276207 /nfs/dbraw/zinc/27/62/07/604276207.db2.gz FGNCYLSOGWBQRD-UHFFFAOYSA-N -1 0 348.742 3.719 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCc1cccc(Cl)c1Cl ZINC000832846081 604277590 /nfs/dbraw/zinc/27/75/90/604277590.db2.gz TVUPUEPEWFRUBS-UHFFFAOYSA-N -1 0 341.194 3.567 20 0 EHADRM Cc1ccc(NC(=S)NCc2ccc([C@H](C)NC(=O)[O-])cc2)cc1 ZINC000830396315 604285336 /nfs/dbraw/zinc/28/53/36/604285336.db2.gz XVQDSVFLXNPXRP-ZDUSSCGKSA-N -1 0 343.452 3.810 20 0 EHADRM C[C@H](CC(=O)N([C@@H](C)c1ccco1)C1CC1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824558897 604316806 /nfs/dbraw/zinc/31/68/06/604316806.db2.gz YUZZRWAQLRXXKE-QLFBSQMISA-N -1 0 348.443 3.748 20 0 EHADRM C[C@H](CC(=O)Nc1cccc2[nH]ccc21)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824703464 604327686 /nfs/dbraw/zinc/32/76/86/604327686.db2.gz LMZMJOPMOQGTAI-OLZOCXBDSA-N -1 0 329.400 3.523 20 0 EHADRM Cc1ccc(C(=O)Nc2ccn(CCC(C)C)n2)cc1NC(=O)[O-] ZINC000830233650 604332175 /nfs/dbraw/zinc/33/21/75/604332175.db2.gz DRWGGHOOESKMDT-UHFFFAOYSA-N -1 0 330.388 3.580 20 0 EHADRM O=C([O-])c1ccc(CN[C@H]2CC3(CCCC3)Oc3ccccc32)o1 ZINC000833314450 604333462 /nfs/dbraw/zinc/33/34/62/604333462.db2.gz KSFIMZFQNVCNKB-HNNXBMFYSA-N -1 0 327.380 3.904 20 0 EHADRM C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000825024776 604336004 /nfs/dbraw/zinc/33/60/04/604336004.db2.gz WNFDYMXBSOEVCH-LBPRGKRZSA-N -1 0 343.383 3.577 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(CNc2c(F)c(F)nc(F)c2F)cc1 ZINC000825402639 604347565 /nfs/dbraw/zinc/34/75/65/604347565.db2.gz NYZOLEWAXRBIMP-ZETCQYMHSA-N -1 0 343.280 3.579 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1csc(C2CC2)n1 ZINC000180359301 604352074 /nfs/dbraw/zinc/35/20/74/604352074.db2.gz UHQQLPPPUQABCF-UHFFFAOYSA-N -1 0 344.436 3.528 20 0 EHADRM Cc1nc(C)c(NC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])s1 ZINC000832995517 604353968 /nfs/dbraw/zinc/35/39/68/604353968.db2.gz BUPUSEHJKSJMOH-ZDUSSCGKSA-N -1 0 347.440 3.734 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)c2ccc(C)c(NC(=O)[O-])c2)n1 ZINC000830493898 604369920 /nfs/dbraw/zinc/36/99/20/604369920.db2.gz VGWJPZXDFBMYPO-QGZVFWFLSA-N -1 0 339.395 3.766 20 0 EHADRM O=C([O-])[C@@H](c1cccc(Cl)c1)S(=O)(=O)c1ccccc1Cl ZINC000833173466 604371110 /nfs/dbraw/zinc/37/11/10/604371110.db2.gz ROCPWHDIZADNLV-CYBMUJFWSA-N -1 0 345.203 3.593 20 0 EHADRM CN(C(=O)c1ccc(F)cc1C(F)(F)F)c1ccccc1C(=O)[O-] ZINC000830527827 604378209 /nfs/dbraw/zinc/37/82/09/604378209.db2.gz DPBWVDTVMHRGQV-UHFFFAOYSA-N -1 0 341.260 3.819 20 0 EHADRM COc1cccc2c1CC[C@H]2NC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000829581547 604379942 /nfs/dbraw/zinc/37/99/42/604379942.db2.gz TUOOOBAVJSUDTE-OAHLLOKOSA-N -1 0 340.379 3.511 20 0 EHADRM C[C@H](CC(=O)N1C[C@H](C)[C@@H]1c1ccccc1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824563316 604384841 /nfs/dbraw/zinc/38/48/41/604384841.db2.gz ALPYVJGHLOXKIA-WXSAJPJJSA-N -1 0 344.455 3.622 20 0 EHADRM Cc1ccc(F)cc1C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000832934224 604392197 /nfs/dbraw/zinc/39/21/97/604392197.db2.gz KSTPBNWOPYIZNV-INIZCTEOSA-N -1 0 329.371 3.716 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000829010018 604392985 /nfs/dbraw/zinc/39/29/85/604392985.db2.gz ZCGFZSNTDAUIPH-DLBZAZTESA-N -1 0 347.455 3.693 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N[C@H]1CC2CCC1CC2)C(=O)[O-] ZINC000827916496 604393925 /nfs/dbraw/zinc/39/39/25/604393925.db2.gz UBBGBTZTWKNSHF-CLTVBZQCSA-N -1 0 333.453 3.560 20 0 EHADRM Cc1ccc(OC(=O)c2cnc(-c3ccccc3)nc2C)c(C(=O)[O-])c1 ZINC000832952887 604410788 /nfs/dbraw/zinc/41/07/88/604410788.db2.gz GSTCAQJIEYLLEN-UHFFFAOYSA-N -1 0 348.358 3.678 20 0 EHADRM C[C@@H](NC(=O)NCc1ccc([C@H](C)NC(=O)[O-])cc1)c1cccs1 ZINC000825383928 604421535 /nfs/dbraw/zinc/42/15/35/604421535.db2.gz YACCBBPFSUPQDG-NWDGAFQWSA-N -1 0 347.440 3.637 20 0 EHADRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc(C(C)(C)C)s2)C1 ZINC000825244539 604421629 /nfs/dbraw/zinc/42/16/29/604421629.db2.gz JYYJKXUQNABBIM-VXGBXAGGSA-N -1 0 338.473 3.554 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)[C@@H](C)c2cccc(F)c2)cc1 ZINC000825372496 604445268 /nfs/dbraw/zinc/44/52/68/604445268.db2.gz NSWIJJFAOZJOSA-QWHCGFSZSA-N -1 0 344.386 3.574 20 0 EHADRM CC(C)(C)O[C@@H](C(=O)Nc1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC000833445636 604464699 /nfs/dbraw/zinc/46/46/99/604464699.db2.gz DXAMOCZDOPRCJJ-GOSISDBHSA-N -1 0 341.407 3.809 20 0 EHADRM CC[C@@H](OC(=O)CCSCC(=O)[O-])c1ccc(Cl)cc1F ZINC000833644618 604478928 /nfs/dbraw/zinc/47/89/28/604478928.db2.gz KLRBIIWYZSYGBT-GFCCVEGCSA-N -1 0 334.796 3.681 20 0 EHADRM O=C([O-])CCCCNC(=O)NC1(c2cccc(Cl)c2)CCCC1 ZINC000666558200 604479170 /nfs/dbraw/zinc/47/91/70/604479170.db2.gz CGRROWMQLORWCE-UHFFFAOYSA-N -1 0 338.835 3.663 20 0 EHADRM COc1cc(OC)cc([C@H](C(=O)[O-])N2C[C@@H](C)[C@@H]2c2ccccc2)c1 ZINC000832041106 604481497 /nfs/dbraw/zinc/48/14/97/604481497.db2.gz NRVRTBVJOQVXBF-UPRAQXHNSA-N -1 0 341.407 3.523 20 0 EHADRM COc1ccc([C@H](C)N(C)C(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000832220964 604488486 /nfs/dbraw/zinc/48/84/86/604488486.db2.gz NUUPYNCHROPDSE-JTQLQIEISA-N -1 0 334.397 3.680 20 0 EHADRM CC(C)N(CCc1nccs1)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000833497110 604489231 /nfs/dbraw/zinc/48/92/31/604489231.db2.gz ZOBXWZDFRJQRLF-UHFFFAOYSA-N -1 0 348.428 3.718 20 0 EHADRM C[C@H](NC(=O)Nc1cc(C(=O)[O-])cs1)c1cc(F)ccc1F ZINC000827664309 604499272 /nfs/dbraw/zinc/49/92/72/604499272.db2.gz FPLNQOIXADPXBX-ZETCQYMHSA-N -1 0 326.324 3.607 20 0 EHADRM Cc1ccc2c(CCNC(=O)Nc3cc(C(=O)[O-])cs3)c[nH]c2c1 ZINC000832959093 604512185 /nfs/dbraw/zinc/51/21/85/604512185.db2.gz CNBOTJUVMURNCD-UHFFFAOYSA-N -1 0 343.408 3.600 20 0 EHADRM C/C(=C\COC(=O)c1cc(-c2ccccn2)ccc1Cl)C(=O)[O-] ZINC000833382857 604515780 /nfs/dbraw/zinc/51/57/80/604515780.db2.gz IZBJPLNIQOZBIK-YRNVUSSQSA-N -1 0 331.755 3.590 20 0 EHADRM CCc1noc(C)c1NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833679516 604517076 /nfs/dbraw/zinc/51/70/76/604517076.db2.gz REGAENAADZZGIG-HNNXBMFYSA-N -1 0 345.399 3.519 20 0 EHADRM CC(C)c1cccc(C(C)C)c1NC(=O)N1CC[C@@H](NC(=O)[O-])C1 ZINC000738874728 604524903 /nfs/dbraw/zinc/52/49/03/604524903.db2.gz AMZYFXFMISMLDZ-CYBMUJFWSA-N -1 0 333.432 3.807 20 0 EHADRM C[C@H](N(C)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])C1(C)CC1 ZINC000827603505 604533897 /nfs/dbraw/zinc/53/38/97/604533897.db2.gz SFXYDIMLNZCYTF-DZGCQCFKSA-N -1 0 332.444 3.669 20 0 EHADRM CCCCn1ncc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1C ZINC000829446543 604546179 /nfs/dbraw/zinc/54/61/79/604546179.db2.gz BQCSJQKWLXJRSI-UHFFFAOYSA-N -1 0 343.427 3.606 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2c(F)cccc2Cl)oc1C(=O)[O-] ZINC000832870929 604546226 /nfs/dbraw/zinc/54/62/26/604546226.db2.gz DCZFQSGPLATZFZ-MRVPVSSYSA-N -1 0 326.707 3.997 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)c2ccc3ccccc3n2)oc1C(=O)[O-] ZINC000832875972 604546982 /nfs/dbraw/zinc/54/69/82/604546982.db2.gz QTZTXJMQSVZZAG-LLVKDONJSA-N -1 0 325.320 3.752 20 0 EHADRM CC(C)c1csc(CNC(=O)Nc2ccc(NC(=O)[O-])cc2)n1 ZINC000824482009 604548736 /nfs/dbraw/zinc/54/87/36/604548736.db2.gz FGPYTPJWAJHFRU-UHFFFAOYSA-N -1 0 334.401 3.678 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2ccccc2OC(F)F)oc1C(=O)[O-] ZINC000832875161 604549075 /nfs/dbraw/zinc/54/90/75/604549075.db2.gz MFNSIZVDZSIUIG-VIFPVBQESA-N -1 0 340.278 3.806 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)CCn2ccc3ccccc32)oc1C(=O)[O-] ZINC000832870645 604556426 /nfs/dbraw/zinc/55/64/26/604556426.db2.gz BAQLMPLONUWDRE-CYBMUJFWSA-N -1 0 341.363 3.935 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)Cc2ccccc2OC(C)C)oc1C(=O)[O-] ZINC000832872611 604577359 /nfs/dbraw/zinc/57/73/59/604577359.db2.gz RPLMHXFBKDBTDS-CYBMUJFWSA-N -1 0 346.379 3.920 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)CCCSc1ccc(Cl)cc1 ZINC000261968494 604580182 /nfs/dbraw/zinc/58/01/82/604580182.db2.gz PUSLPIPPGNQVTA-ZDUSSCGKSA-N -1 0 341.860 3.678 20 0 EHADRM C[C@H]1CCCN(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)[C@H]1C ZINC000833614690 604587780 /nfs/dbraw/zinc/58/77/80/604587780.db2.gz RYWATVKUHQOLBA-UWVGGRQHSA-N -1 0 342.342 3.639 20 0 EHADRM CC(C)CSCCCNC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000833491274 604591654 /nfs/dbraw/zinc/59/16/54/604591654.db2.gz AGESKMBKDXAKTL-UHFFFAOYSA-N -1 0 343.424 3.816 20 0 EHADRM CC1=CCN(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])CC1 ZINC000322622201 604596815 /nfs/dbraw/zinc/59/68/15/604596815.db2.gz PICDLCMVGOYVRU-UHFFFAOYSA-N -1 0 328.290 3.588 20 0 EHADRM CC1(CNC(=O)Nc2cccc(SCCC(=O)[O-])c2)CCCC1 ZINC000833563705 604602459 /nfs/dbraw/zinc/60/24/59/604602459.db2.gz OBOJSBUIQULLMR-UHFFFAOYSA-N -1 0 336.457 3.955 20 0 EHADRM CC(C)[C@H](C(=O)N1CCc2cc(C(=O)[O-])ccc21)c1ccc(F)cc1 ZINC000833464847 604607666 /nfs/dbraw/zinc/60/76/66/604607666.db2.gz CWVSDFMAOPMSAS-SFHVURJKSA-N -1 0 341.382 3.853 20 0 EHADRM COc1ccc(C(C)(C)C(=O)OCc2cc(C(=O)[O-])sc2C)cc1 ZINC000832216632 604614838 /nfs/dbraw/zinc/61/48/38/604614838.db2.gz DWTWSTYOICVCKT-UHFFFAOYSA-N -1 0 348.420 3.784 20 0 EHADRM CS[C@@H]1CCCCN(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000832747770 604618362 /nfs/dbraw/zinc/61/83/62/604618362.db2.gz LYUSUAQCQHGCKS-LLVKDONJSA-N -1 0 342.848 3.788 20 0 EHADRM CS[C@H]1CCCCN(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)C1 ZINC000832748269 604629048 /nfs/dbraw/zinc/62/90/48/604629048.db2.gz ZKBMYRHKCYOOPM-NSHDSACASA-N -1 0 341.408 3.665 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1-n1cccc1 ZINC000833214776 604631317 /nfs/dbraw/zinc/63/13/17/604631317.db2.gz WOICISCAFJHEHP-CYBMUJFWSA-N -1 0 347.802 3.602 20 0 EHADRM CSc1ccc(NC(=O)N2CCC[C@@H]2CC(=O)[O-])cc1Cl ZINC000832781054 604635746 /nfs/dbraw/zinc/63/57/46/604635746.db2.gz PDHFRIQSPREXQV-SNVBAGLBSA-N -1 0 328.821 3.533 20 0 EHADRM CC(C)Sc1ccccc1NC(=O)C1CCC(NC(=O)[O-])CC1 ZINC000824434914 604639885 /nfs/dbraw/zinc/63/98/85/604639885.db2.gz PBGCTIHTVCEJNJ-UHFFFAOYSA-N -1 0 336.457 3.952 20 0 EHADRM O=C([O-])Nc1ccc(NCc2cnn(-c3ccc(Cl)cc3)n2)cc1 ZINC000738667533 604642207 /nfs/dbraw/zinc/64/22/07/604642207.db2.gz RDXVKTVUBJKNEF-UHFFFAOYSA-N -1 0 343.774 3.623 20 0 EHADRM COc1cc2c(c(CNc3ccc(N(C)C(=O)[O-])cc3)c1)O[C@@H](C)C2 ZINC000832000530 604646289 /nfs/dbraw/zinc/64/62/89/604646289.db2.gz SCPPWGCCEKAFJS-LBPRGKRZSA-N -1 0 342.395 3.745 20 0 EHADRM C[C@H](CC(=O)N1Cc2ccccc2[C@@H](C)C1)C1CCN(C(=O)[O-])CC1 ZINC000825975445 604652288 /nfs/dbraw/zinc/65/22/88/604652288.db2.gz OVWNGTTVTWHOIT-CABCVRRESA-N -1 0 344.455 3.549 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccc(F)cc1C(F)(F)F)c1ccccc1 ZINC000833351339 604694873 /nfs/dbraw/zinc/69/48/73/604694873.db2.gz QAVZNVNDMKTYJZ-CYBMUJFWSA-N -1 0 342.244 3.827 20 0 EHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000761977140 604704910 /nfs/dbraw/zinc/70/49/10/604704910.db2.gz GLSLLTOEAVRELX-BENRWUELSA-N -1 0 345.782 3.845 20 0 EHADRM CCCNc1nnc(S[C@H](C)c2cc(C)c(C(=O)[O-])o2)s1 ZINC000829519991 604709527 /nfs/dbraw/zinc/70/95/27/604709527.db2.gz ZKSNQNIYSPXNBA-MRVPVSSYSA-N -1 0 327.431 3.813 20 0 EHADRM CC(C)c1ccc(C(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cn1 ZINC000827113048 604711525 /nfs/dbraw/zinc/71/15/25/604711525.db2.gz UQABKSGWZOTLKZ-SJLPKXTDSA-N -1 0 344.455 3.701 20 0 EHADRM CC(C)[C@@H](CC(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccccc1 ZINC000826682073 604740222 /nfs/dbraw/zinc/74/02/22/604740222.db2.gz WLVAIZYIWASGMU-OAHLLOKOSA-N -1 0 346.452 3.929 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000833632322 604743345 /nfs/dbraw/zinc/74/33/45/604743345.db2.gz LBUVYAUWJHRJNS-MNOVXSKESA-N -1 0 345.345 3.811 20 0 EHADRM CN(Cc1ccc(Br)o1)Cc1ccc(C(=O)[O-])cc1F ZINC000833694113 604751054 /nfs/dbraw/zinc/75/10/54/604751054.db2.gz KKRJPOAGSYZJML-UHFFFAOYSA-N -1 0 342.164 3.511 20 0 EHADRM CCn1c(S[C@H](C)c2ccc(C(=O)[O-])o2)nnc1-c1ccccn1 ZINC000830415808 604752945 /nfs/dbraw/zinc/75/29/45/604752945.db2.gz BRSVZZZTOJKLMU-SNVBAGLBSA-N -1 0 344.396 3.505 20 0 EHADRM Cc1ccc2cc(-c3nc(-c4cccc(C(=O)[O-])c4)no3)ccc2n1 ZINC000832958990 604778727 /nfs/dbraw/zinc/77/87/27/604778727.db2.gz DGBOKKHPFPINOQ-UHFFFAOYSA-N -1 0 331.331 3.958 20 0 EHADRM CC(C)(C)C1=CCN(C(=O)NCCc2ccc(NC(=O)[O-])cc2)CC1 ZINC000833426762 604788131 /nfs/dbraw/zinc/78/81/31/604788131.db2.gz KWWKNZKGRGFLMC-UHFFFAOYSA-N -1 0 345.443 3.707 20 0 EHADRM CCC(CC)(CNC(=O)[O-])NC(=O)Nc1cccc(C(F)F)c1 ZINC000826548034 604789167 /nfs/dbraw/zinc/78/91/67/604789167.db2.gz RKYJZMIPBBUMAC-UHFFFAOYSA-N -1 0 329.347 3.572 20 0 EHADRM O=C([O-])Cc1cccc(NCCc2cccc(OC(F)(F)F)c2)c1 ZINC000833268166 604816197 /nfs/dbraw/zinc/81/61/97/604816197.db2.gz GAAXQKXHCAPKCC-UHFFFAOYSA-N -1 0 339.313 3.867 20 0 EHADRM Cc1cccc(C2=CCN(C(=O)c3ccc(C(=O)[O-])c(F)c3)CC2)c1 ZINC000833752721 604817608 /nfs/dbraw/zinc/81/76/08/604817608.db2.gz UATBZBIQDOOCHJ-UHFFFAOYSA-N -1 0 339.366 3.762 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccc(F)cc1F ZINC000828971412 604823550 /nfs/dbraw/zinc/82/35/50/604823550.db2.gz DNKFLZDMMKYHJZ-OAHLLOKOSA-N -1 0 337.297 3.683 20 0 EHADRM C[C@@H](c1ccc(F)c(F)c1)N(C)c1nc(Cl)c(C(=O)[O-])s1 ZINC000833548916 604823741 /nfs/dbraw/zinc/82/37/41/604823741.db2.gz UKBTVMLIRAGOPB-LURJTMIESA-N -1 0 332.759 3.970 20 0 EHADRM Cc1ccc2cc(C(=O)N3C[C@@H](CC(=O)[O-])c4ccccc43)ccc2n1 ZINC000832958899 604828770 /nfs/dbraw/zinc/82/87/70/604828770.db2.gz BBIAQQKTTRNOOI-MRXNPFEDSA-N -1 0 346.386 3.762 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc([C@@H](C)Sc2ccccn2)n1 ZINC000824219399 604829075 /nfs/dbraw/zinc/82/90/75/604829075.db2.gz SIPCDEUULANDMZ-MNOVXSKESA-N -1 0 336.417 3.673 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC(c3cccc(F)c3)CC2)cc1F ZINC000833309180 604830600 /nfs/dbraw/zinc/83/06/00/604830600.db2.gz NNKJSEIDGGLLMJ-UHFFFAOYSA-N -1 0 345.345 3.683 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)OCc2noc(C3CCCCC3)n2)c1 ZINC000833291804 604837887 /nfs/dbraw/zinc/83/78/87/604837887.db2.gz UBSUTNACWSENKL-UHFFFAOYSA-N -1 0 345.355 3.564 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2Cc3ccccc3C(F)(F)C2)cc1 ZINC000833282494 604841521 /nfs/dbraw/zinc/84/15/21/604841521.db2.gz DMHXWEFMDFSXOT-UHFFFAOYSA-N -1 0 332.306 3.524 20 0 EHADRM CCCCn1ncc(NC(=O)Nc2cccc(C(=O)[O-])c2C)c1C ZINC000829446535 604845061 /nfs/dbraw/zinc/84/50/61/604845061.db2.gz BPDITYCSUBQXOM-UHFFFAOYSA-N -1 0 330.388 3.642 20 0 EHADRM C[C@H](C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)c1cccs1 ZINC000237456507 604846326 /nfs/dbraw/zinc/84/63/26/604846326.db2.gz WQMSXVMXIFMBAA-VIFPVBQESA-N -1 0 339.800 3.607 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)c1cccs1 ZINC000237492240 604846564 /nfs/dbraw/zinc/84/65/64/604846564.db2.gz WQMSXVMXIFMBAA-SECBINFHSA-N -1 0 339.800 3.607 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)c1ccsc1 ZINC000346030171 604849517 /nfs/dbraw/zinc/84/95/17/604849517.db2.gz ZVIWKVXFBDGFFF-SECBINFHSA-N -1 0 339.800 3.607 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2ccc3cc[nH]c3c2)cc1Cl ZINC000238010911 604851329 /nfs/dbraw/zinc/85/13/29/604851329.db2.gz LLLVDZWQELHXKE-UHFFFAOYSA-N -1 0 344.754 3.537 20 0 EHADRM C[C@H](C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21)c1cccc(F)c1 ZINC000669434883 604858410 /nfs/dbraw/zinc/85/84/10/604858410.db2.gz MDXUVYHTTKGPLK-LRDDRELGSA-N -1 0 327.355 3.534 20 0 EHADRM CN(Cc1ccc(NC(=O)[C@@H]2CCCc3sccc32)cc1)C(=O)[O-] ZINC000830831410 604864548 /nfs/dbraw/zinc/86/45/48/604864548.db2.gz XDODSJQIXIWEBM-OAHLLOKOSA-N -1 0 344.436 3.917 20 0 EHADRM CC(C)c1ccc([C@@H]2CCCN2C(=O)c2ccnc(C(=O)[O-])c2)cc1 ZINC000833510395 604864616 /nfs/dbraw/zinc/86/46/16/604864616.db2.gz UMKZKWZXDHQIBK-SFHVURJKSA-N -1 0 338.407 3.881 20 0 EHADRM CC(C)[C@H](C(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1)c1ccccc1 ZINC000833465845 604868796 /nfs/dbraw/zinc/86/87/96/604868796.db2.gz NUMZWNDXCWIDFA-HNNXBMFYSA-N -1 0 337.379 3.639 20 0 EHADRM C[C@H](CC(=O)N(C)C1(C(=O)[O-])CCCCC1)c1ccc(F)cc1F ZINC000431987892 604868901 /nfs/dbraw/zinc/86/89/01/604868901.db2.gz RNOUIEUOXWMVOS-GFCCVEGCSA-N -1 0 339.382 3.704 20 0 EHADRM O=C([O-])c1ccncc1C(=O)OCc1ccc(-c2ccccc2)cc1 ZINC000833333374 604870779 /nfs/dbraw/zinc/87/07/79/604870779.db2.gz FDPQRDVAYAVFDR-UHFFFAOYSA-N -1 0 333.343 3.804 20 0 EHADRM Cc1sc2ncnc(N3CCC[C@@H](C(C)(C)C(=O)[O-])C3)c2c1C ZINC000322099102 604871751 /nfs/dbraw/zinc/87/17/51/604871751.db2.gz VLYGVXCJHJXKGT-GFCCVEGCSA-N -1 0 333.457 3.635 20 0 EHADRM Cc1ccc(C(=O)O[C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)o1 ZINC000833747753 604882676 /nfs/dbraw/zinc/88/26/76/604882676.db2.gz HZADJLCFHDCXPS-GFCCVEGCSA-N -1 0 328.242 3.747 20 0 EHADRM CC[C@@H](OC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccc(OC)cc1 ZINC000829005327 604883106 /nfs/dbraw/zinc/88/31/06/604883106.db2.gz YZZMMKFWEXEVRZ-MRXNPFEDSA-N -1 0 332.327 3.841 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000317147834 604885357 /nfs/dbraw/zinc/88/53/57/604885357.db2.gz PNJJBGMMRXQIOQ-NSHDSACASA-N -1 0 344.238 3.956 20 0 EHADRM CC(=O)c1ccc(Cl)c(NC(=O)c2ccc(NC(=O)[O-])cc2)c1 ZINC000823632911 604896805 /nfs/dbraw/zinc/89/68/05/604896805.db2.gz WWIAGFBFBALVJB-UHFFFAOYSA-N -1 0 332.743 3.885 20 0 EHADRM CC[C@@H](C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000236973434 604899014 /nfs/dbraw/zinc/89/90/14/604899014.db2.gz ASKAPUSMEDACEC-CQSZACIVSA-N -1 0 347.798 3.936 20 0 EHADRM CCC(=O)c1cccc(NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000828580464 604906864 /nfs/dbraw/zinc/90/68/64/604906864.db2.gz JNNACLZPVYLQFH-UHFFFAOYSA-N -1 0 338.363 3.525 20 0 EHADRM C[C@@H](CC(=O)N1CCCC[C@@H]1CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000683325097 604910442 /nfs/dbraw/zinc/91/04/42/604910442.db2.gz MGAVDMXSBAYMPU-CZUORRHYSA-N -1 0 337.847 3.765 20 0 EHADRM CCc1cc(C)c(C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)o1 ZINC000346005222 604918242 /nfs/dbraw/zinc/91/82/42/604918242.db2.gz DPAHVSSVLFBYRK-UHFFFAOYSA-N -1 0 335.787 3.531 20 0 EHADRM CC(C)(C)C1CCN(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)CC1 ZINC000833423133 604921023 /nfs/dbraw/zinc/92/10/23/604921023.db2.gz CBZSGDDNYREBOJ-UHFFFAOYSA-N -1 0 344.415 3.551 20 0 EHADRM CC1(C)CCC[C@H]1NC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000828060103 604922667 /nfs/dbraw/zinc/92/26/67/604922667.db2.gz FSKPLAOMTNRBAB-CYBMUJFWSA-N -1 0 340.807 3.504 20 0 EHADRM Cc1cc(C)cc(CCC(=O)Nc2nc(CCCC(=O)[O-])cs2)c1 ZINC000832876737 604933366 /nfs/dbraw/zinc/93/33/66/604933366.db2.gz OIAYCLRUGFTCSS-UHFFFAOYSA-N -1 0 346.452 3.739 20 0 EHADRM COc1ccc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)c(C)c1 ZINC000262095802 604937741 /nfs/dbraw/zinc/93/77/41/604937741.db2.gz BLPMLAMMSYTQIA-UHFFFAOYSA-N -1 0 341.407 3.511 20 0 EHADRM CC[C@@H]1CCc2nc(NC(=O)c3ccc(C(=O)[O-])c(F)c3)sc2C1 ZINC000829133902 604941142 /nfs/dbraw/zinc/94/11/42/604941142.db2.gz GVDMDETYXMMALA-SECBINFHSA-N -1 0 348.399 3.748 20 0 EHADRM C[C@@H](OC(=O)c1cc(Cl)c(N)c(Cl)c1)c1ccc(C(=O)[O-])o1 ZINC000833532843 604951294 /nfs/dbraw/zinc/95/12/94/604951294.db2.gz UPCBQKXQHBFEFW-ZCFIWIBFSA-N -1 0 344.150 3.785 20 0 EHADRM CN(C(=O)Nc1nc(CCC(=O)[O-])cs1)C1CCCCCCC1 ZINC000830508170 604979719 /nfs/dbraw/zinc/97/97/19/604979719.db2.gz SYOCXWBDFCAMFS-UHFFFAOYSA-N -1 0 339.461 3.737 20 0 EHADRM CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000829169804 604996705 /nfs/dbraw/zinc/99/67/05/604996705.db2.gz HQXXZKDDVHKMDZ-AWEZNQCLSA-N -1 0 333.384 3.735 20 0 EHADRM CCc1nc(NC(=O)[C@H](C)c2cccc(Cl)c2)sc1C(=O)[O-] ZINC000833674635 604997898 /nfs/dbraw/zinc/99/78/98/604997898.db2.gz SAPBUCUDLKYHAU-MRVPVSSYSA-N -1 0 338.816 3.799 20 0 EHADRM CCc1nc(NC(=O)[C@@H](C)c2ccc(Cl)s2)sc1C(=O)[O-] ZINC000833674315 604999132 /nfs/dbraw/zinc/99/91/32/604999132.db2.gz OSNPDYHBOZWQFD-LURJTMIESA-N -1 0 344.845 3.861 20 0 EHADRM CCc1nc(NC(=O)C[C@H](C)c2ccc(F)cc2)sc1C(=O)[O-] ZINC000833676931 605000052 /nfs/dbraw/zinc/00/00/52/605000052.db2.gz YONJQCHJNLNXOF-VIFPVBQESA-N -1 0 336.388 3.675 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)/C=C\c2ccc3[nH]ccc3c2)C1 ZINC000833415486 605000025 /nfs/dbraw/zinc/00/00/25/605000025.db2.gz NNJUBVZFACCOEH-QKIRZYONSA-N -1 0 340.423 3.531 20 0 EHADRM CCc1nc(NC(=O)c2cn(CC)c3ccccc23)sc1C(=O)[O-] ZINC000833674980 605007372 /nfs/dbraw/zinc/00/73/72/605007372.db2.gz JQTLURYGCUPMNI-UHFFFAOYSA-N -1 0 343.408 3.631 20 0 EHADRM CC(C)Cn1cc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])c2ccccc21 ZINC000679396828 605007863 /nfs/dbraw/zinc/00/78/63/605007863.db2.gz OXVAKPJQVCZUNW-OAHLLOKOSA-N -1 0 342.439 3.767 20 0 EHADRM Cc1scc(C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)c1C ZINC000833759222 605009829 /nfs/dbraw/zinc/00/98/29/605009829.db2.gz WYAGLNPDHXIIFL-UHFFFAOYSA-N -1 0 337.828 3.745 20 0 EHADRM Cc1scc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])c1C ZINC000833759218 605014860 /nfs/dbraw/zinc/01/48/60/605014860.db2.gz WUJBEEJQOSQFQH-OAHLLOKOSA-N -1 0 331.437 3.947 20 0 EHADRM C[C@@H](OC(=O)c1ccc(F)c(Cl)c1F)c1ccc(C(=O)[O-])o1 ZINC000833532004 605015754 /nfs/dbraw/zinc/01/57/54/605015754.db2.gz MZZHYYLNEMQEHN-ZCFIWIBFSA-N -1 0 330.670 3.827 20 0 EHADRM CCC[C@@H](C(=O)Nc1nc2nc(C)cc(C(=O)[O-])c2s1)C(C)C ZINC000833648667 605044827 /nfs/dbraw/zinc/04/48/27/605044827.db2.gz WHHVAAFNDDFJLT-SNVBAGLBSA-N -1 0 335.429 3.709 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000190696203 605054282 /nfs/dbraw/zinc/05/42/82/605054282.db2.gz AQGBSYLDNBSQKJ-UHFFFAOYSA-N -1 0 345.361 3.754 20 0 EHADRM C[C@@H](C(=O)OC1CCC(CC(=O)[O-])CC1)c1c(F)cccc1F ZINC000833405392 605055486 /nfs/dbraw/zinc/05/54/86/605055486.db2.gz DYJSIBKOGUFUCL-VOMCLLRMSA-N -1 0 326.339 3.645 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)N2CCC(CC(=O)[O-])CC2)cc1 ZINC000584090323 605056247 /nfs/dbraw/zinc/05/62/47/605056247.db2.gz OYUWHEHLKUZICQ-ARJAWSKDSA-N -1 0 329.440 3.927 20 0 EHADRM C[C@@H](CC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000761619889 605066069 /nfs/dbraw/zinc/06/60/69/605066069.db2.gz MFAGDUPJXCFEMU-SGTLLEGYSA-N -1 0 347.361 3.743 20 0 EHADRM O=C([O-])C1(CNC(=O)c2ccc(CCC(F)(F)F)cc2)CCCC1 ZINC000683315676 605077098 /nfs/dbraw/zinc/07/70/98/605077098.db2.gz DGRFGXNYBCZYCB-UHFFFAOYSA-N -1 0 343.345 3.556 20 0 EHADRM CC(C)[C@@H]1C[C@H](CC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CCO1 ZINC000833470070 605077289 /nfs/dbraw/zinc/07/72/89/605077289.db2.gz GRJNRDBYTVNGJI-PBHICJAKSA-N -1 0 347.455 3.829 20 0 EHADRM CC1(C)CN(C(=O)C2CCC(C(=O)[O-])CC2)c2cccc(Cl)c21 ZINC000194435684 605083899 /nfs/dbraw/zinc/08/38/99/605083899.db2.gz ACVDFEXVUSBBFG-UHFFFAOYSA-N -1 0 335.831 3.855 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)Oc1ccccc1CC(=O)[O-] ZINC000833514966 605086902 /nfs/dbraw/zinc/08/69/02/605086902.db2.gz HVDNSYCEPQPGIX-OAHLLOKOSA-N -1 0 326.392 3.878 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2cccc(CC(F)(F)F)c2)CC1 ZINC000659759235 605087866 /nfs/dbraw/zinc/08/78/66/605087866.db2.gz PXIAPQGOUPCUDP-UHFFFAOYSA-N -1 0 329.318 3.621 20 0 EHADRM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)C2CCC(C(=O)[O-])CC2)C1 ZINC000192968625 605088011 /nfs/dbraw/zinc/08/80/11/605088011.db2.gz QSWACRQFGIFCGJ-WNZJFKNXSA-N -1 0 333.403 3.626 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)NCC1(C2CC2)CCC1)c1ccccc1 ZINC000833414396 605125105 /nfs/dbraw/zinc/12/51/05/605125105.db2.gz RGIJOTRUVWNLFU-INIZCTEOSA-N -1 0 344.455 3.718 20 0 EHADRM CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2ccc(F)cc2C(=O)[O-])C1 ZINC000833668256 605134270 /nfs/dbraw/zinc/13/42/70/605134270.db2.gz QCFSUBAICFXQDL-NWDGAFQWSA-N -1 0 340.420 3.662 20 0 EHADRM COc1ccc(OC(=O)C2CCC(C(=O)[O-])CC2)c(C(C)(C)C)c1 ZINC000833733926 605146401 /nfs/dbraw/zinc/14/64/01/605146401.db2.gz VYXWADWYXCREGJ-UHFFFAOYSA-N -1 0 334.412 3.789 20 0 EHADRM Cc1c(NC(=O)N[C@H](C)c2cccc(F)c2F)cccc1C(=O)[O-] ZINC000833742787 605154903 /nfs/dbraw/zinc/15/49/03/605154903.db2.gz ZGXQRZNLKGTHNM-SNVBAGLBSA-N -1 0 334.322 3.854 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)Oc2ccc(NC(=O)[O-])cc2)c1C(C)C ZINC000833400619 605159176 /nfs/dbraw/zinc/15/91/76/605159176.db2.gz LEGAGFBVWBZRPT-UHFFFAOYSA-N -1 0 344.367 3.958 20 0 EHADRM CC(C)[C@@H]1c2ccccc2CCN1C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000833472897 605169214 /nfs/dbraw/zinc/16/92/14/605169214.db2.gz GJKWFOQXKGVTHF-QGZVFWFLSA-N -1 0 339.395 3.567 20 0 EHADRM CC(C)[C@@H](c1ccccc1)N(C)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC000833472943 605179792 /nfs/dbraw/zinc/17/97/92/605179792.db2.gz WZAADSBPCUQYSD-INIZCTEOSA-N -1 0 327.384 3.641 20 0 EHADRM CC(C)(CCC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000192415105 605180359 /nfs/dbraw/zinc/18/03/59/605180359.db2.gz LFLMHBXIASYKAK-UHFFFAOYSA-N -1 0 325.408 3.759 20 0 EHADRM CC(C(=O)OCc1coc(-c2ccc(C(=O)[O-])cc2)n1)=C1CCCC1 ZINC000833407989 605190253 /nfs/dbraw/zinc/19/02/53/605190253.db2.gz BFPBONYSRBVTNO-UHFFFAOYSA-N -1 0 341.363 3.974 20 0 EHADRM C[C@H](c1ccccc1C(F)(F)F)[C@H](C)Nc1cncc(C(=O)[O-])n1 ZINC000833524108 605194414 /nfs/dbraw/zinc/19/44/14/605194414.db2.gz AMCXONYPUJFZLO-UWVGGRQHSA-N -1 0 339.317 3.798 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000826581895 605215071 /nfs/dbraw/zinc/21/50/71/605215071.db2.gz RCBPYTZVWCSDOC-LBPRGKRZSA-N -1 0 344.415 3.825 20 0 EHADRM CC[C@H](C(=O)Nc1cc(C(=O)[O-])ccc1C)c1ccc(OC)cc1 ZINC000192870972 605229315 /nfs/dbraw/zinc/22/93/15/605229315.db2.gz PIDJSASZJJYYLO-INIZCTEOSA-N -1 0 327.380 3.834 20 0 EHADRM CC[C@@H](C(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccc(OC)cc1 ZINC000192876520 605231160 /nfs/dbraw/zinc/23/11/60/605231160.db2.gz ZNSYWSRFXROLPH-GOSISDBHSA-N -1 0 341.407 3.546 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)c1ccc(Oc2cccnc2)cc1)C(=O)[O-] ZINC000833430278 605235510 /nfs/dbraw/zinc/23/55/10/605235510.db2.gz UVUCKDKQVMEHGN-MRXNPFEDSA-N -1 0 343.379 3.920 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)c1ccc([C@H]2CCCOC2)cc1)C(=O)[O-] ZINC000833430009 605239434 /nfs/dbraw/zinc/23/94/34/605239434.db2.gz RRUPKOVUWUFWHN-HOTGVXAUSA-N -1 0 334.412 3.627 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC000683317978 605257332 /nfs/dbraw/zinc/25/73/32/605257332.db2.gz CJOVHIMSBZILGM-KDOFPFPSSA-N -1 0 343.398 3.727 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1cc(Br)ccc1Cl ZINC000061827521 605257778 /nfs/dbraw/zinc/25/77/78/605257778.db2.gz VFIWYARMOMYXNI-UHFFFAOYSA-N -1 0 348.624 3.932 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCc2c(Cl)c(Cl)ccc2C1 ZINC000833452734 605258246 /nfs/dbraw/zinc/25/82/46/605258246.db2.gz RUEBFDJEUZXHCG-UHFFFAOYSA-N -1 0 344.238 3.769 20 0 EHADRM Cc1cccc(C2=CCN(C(=O)Cc3ccccc3C(=O)[O-])CC2)c1 ZINC000432131230 605267331 /nfs/dbraw/zinc/26/73/31/605267331.db2.gz WIMOLKXQUVBGQK-UHFFFAOYSA-N -1 0 335.403 3.552 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)[C@@H]2CCc3c2cccc3Cl)C1 ZINC000833415124 605267413 /nfs/dbraw/zinc/26/74/13/605267413.db2.gz JVVFLXFMEXIMML-SWLSCSKDSA-N -1 0 349.858 3.719 20 0 EHADRM CCc1nc(CN[C@@H](C(=O)[O-])c2ccc3ccccc3c2)cs1 ZINC000833673067 605272687 /nfs/dbraw/zinc/27/26/87/605272687.db2.gz HXNPTZPHJKTMRH-QGZVFWFLSA-N -1 0 326.421 3.774 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccc(NC(=O)[O-])c(F)c2)CCO1 ZINC000833472495 605275042 /nfs/dbraw/zinc/27/50/42/605275042.db2.gz STBRQVHKBOTGRI-NHYWBVRUSA-N -1 0 338.379 3.695 20 0 EHADRM C[C@H]1CC[C@]2(CCN(C(=O)Nc3ccc(NC(=O)[O-])c(F)c3)C2)C1 ZINC000833610822 605283985 /nfs/dbraw/zinc/28/39/85/605283985.db2.gz LUBBNHPUNLYIBK-GTNSWQLSSA-N -1 0 335.379 3.960 20 0 EHADRM CC(C)=C(C)C(=O)O[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000833463761 605285075 /nfs/dbraw/zinc/28/50/75/605285075.db2.gz XWGAOOUSVNDSER-CYBMUJFWSA-N -1 0 330.302 3.601 20 0 EHADRM CCc1cc(N[C@@H](C(=O)OC)c2cccc(C(=O)[O-])c2)ccc1C ZINC000833671187 605290298 /nfs/dbraw/zinc/29/02/98/605290298.db2.gz HJMRIIAXKVMPIY-QGZVFWFLSA-N -1 0 327.380 3.582 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000263579596 605294702 /nfs/dbraw/zinc/29/47/02/605294702.db2.gz UYFQUKSEXRTRTF-ZDUSSCGKSA-N -1 0 345.361 3.801 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CCc1ccccc1)c1ccc2ccccc2c1 ZINC000431888170 605302752 /nfs/dbraw/zinc/30/27/52/605302752.db2.gz URRMBTSCOUYDFG-FQEVSTJZSA-N -1 0 333.387 3.715 20 0 EHADRM C[C@@H](CC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1)c1ccncc1 ZINC000833514134 605303906 /nfs/dbraw/zinc/30/39/06/605303906.db2.gz OTFGAWFPUNDQSA-XOBRGWDASA-N -1 0 348.402 3.671 20 0 EHADRM C[C@H](Cc1noc(-c2cc(Cl)sc2Cl)n1)N(C)C(=O)[O-] ZINC000825036041 605304967 /nfs/dbraw/zinc/30/49/67/605304967.db2.gz HEHLGFVRVHNDRC-RXMQYKEDSA-N -1 0 336.200 3.646 20 0 EHADRM O=C([O-])N[C@H](CC(F)F)C(=O)Nc1ccccc1Nc1ccccc1 ZINC000834134987 605315631 /nfs/dbraw/zinc/31/56/31/605315631.db2.gz URXHYJPYJILZSJ-CQSZACIVSA-N -1 0 349.337 3.660 20 0 EHADRM Cc1cc(C(=O)NCc2nc(C(C)C)cs2)ccc1NC(=O)[O-] ZINC000829956773 605331760 /nfs/dbraw/zinc/33/17/60/605331760.db2.gz MZADVLXTNJXGRS-UHFFFAOYSA-N -1 0 333.413 3.595 20 0 EHADRM C[C@H]1CCC[C@H]1C(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC000833607873 605344198 /nfs/dbraw/zinc/34/41/98/605344198.db2.gz HYUPFIADLPVHPL-XHDPSFHLSA-N -1 0 344.436 3.807 20 0 EHADRM CC(C)OCCCC(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC000833503543 605344970 /nfs/dbraw/zinc/34/49/70/605344970.db2.gz FREDIEJFSNCIJE-UHFFFAOYSA-N -1 0 327.446 3.888 20 0 EHADRM C[C@H]1CCC[C@@H]1C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000833607675 605350636 /nfs/dbraw/zinc/35/06/36/605350636.db2.gz FOVRMXMYNPKJKX-YUMQZZPRSA-N -1 0 344.180 3.661 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)Nc1ccc(-c2ncco2)cc1 ZINC000834273458 605358544 /nfs/dbraw/zinc/35/85/44/605358544.db2.gz NTQWLDXGHRCJLM-UHFFFAOYSA-N -1 0 337.335 3.613 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)[C@H]2CCCc3sccc32)c1 ZINC000829469643 605366776 /nfs/dbraw/zinc/36/67/76/605366776.db2.gz UDWMLAOFHXSWHV-LBPRGKRZSA-N -1 0 346.408 3.905 20 0 EHADRM CC(C)Oc1c(F)cc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1F ZINC000833505422 605376062 /nfs/dbraw/zinc/37/60/62/605376062.db2.gz KELNYZKPWYOWGI-MNOVXSKESA-N -1 0 341.354 3.582 20 0 EHADRM CN(C(=O)CC[C@@H]1CCN(C(=O)[O-])C1)c1ccc2ccccc2c1 ZINC000833869013 605397218 /nfs/dbraw/zinc/39/72/18/605397218.db2.gz JOEFNLOGXHCCPM-CQSZACIVSA-N -1 0 326.396 3.583 20 0 EHADRM CCc1cc(NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)ccc1C ZINC000326455074 605399101 /nfs/dbraw/zinc/39/91/01/605399101.db2.gz ZYEKWPUQQSBQPS-UHFFFAOYSA-N -1 0 326.396 3.920 20 0 EHADRM O=C([O-])N1CC[C@@H](CCC(=O)N2CCCCC[C@@H]2c2ccccc2)C1 ZINC000834075345 605417986 /nfs/dbraw/zinc/41/79/86/605417986.db2.gz KMMZMGAYRBZWSO-SJLPKXTDSA-N -1 0 344.455 3.910 20 0 EHADRM C[C@@H](c1ccccc1F)N(C)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000325521742 605438828 /nfs/dbraw/zinc/43/88/28/605438828.db2.gz PUXPSAVMYZNGOR-ZDUSSCGKSA-N -1 0 336.407 3.563 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000192862018 605451657 /nfs/dbraw/zinc/45/16/57/605451657.db2.gz GJFALFASXNZWAR-LPHOPBHVSA-N -1 0 339.435 3.896 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000192862041 605451673 /nfs/dbraw/zinc/45/16/73/605451673.db2.gz GJFALFASXNZWAR-QFBILLFUSA-N -1 0 339.435 3.896 20 0 EHADRM CC(C)(C)Sc1cc(C(=O)Nc2cccc(CC(=O)[O-])c2)ccn1 ZINC000833447922 605463936 /nfs/dbraw/zinc/46/39/36/605463936.db2.gz GZHWJRCRHQLMIU-UHFFFAOYSA-N -1 0 344.436 3.852 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@@H]1C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000832342076 605529685 /nfs/dbraw/zinc/52/96/85/605529685.db2.gz VPJQWMIEBNRSTL-WPRPVWTQSA-N -1 0 332.734 3.652 20 0 EHADRM CC(C)c1ncc(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)s1 ZINC000824495623 605531902 /nfs/dbraw/zinc/53/19/02/605531902.db2.gz OQMJTTJVPJOWHN-JTQLQIEISA-N -1 0 333.413 3.847 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@H](c2cccnc2)C2CC2)c(Cl)c1 ZINC000834255175 605554860 /nfs/dbraw/zinc/55/48/60/605554860.db2.gz GPRUSYDWZBDJFO-HNNXBMFYSA-N -1 0 345.786 3.706 20 0 EHADRM O=C([O-])NC[C@@H]1CCCN1C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000832556597 605557443 /nfs/dbraw/zinc/55/74/43/605557443.db2.gz NIKWTQFKRQKNHK-VIFPVBQESA-N -1 0 347.749 3.542 20 0 EHADRM COc1c(C)ccc(NC(=O)C[C@H](NC(=O)[O-])c2ccccc2)c1C ZINC000829067191 605581972 /nfs/dbraw/zinc/58/19/72/605581972.db2.gz SMAAMCHJBQELJX-INIZCTEOSA-N -1 0 342.395 3.650 20 0 EHADRM CCOc1ccccc1[C@@H](C)NC(=O)c1ccc(NC(=O)[O-])c(C)c1 ZINC000827453315 605596270 /nfs/dbraw/zinc/59/62/70/605596270.db2.gz RTVLPVDHGJVVOK-CYBMUJFWSA-N -1 0 342.395 3.975 20 0 EHADRM O=C([O-])Nc1ccc(Cc2nc(C(=O)O[C@H]3C=CCC3)cs2)cc1 ZINC000834259603 605596600 /nfs/dbraw/zinc/59/66/00/605596600.db2.gz BEAUXSFGLIPFIF-ZDUSSCGKSA-N -1 0 344.392 3.699 20 0 EHADRM Cc1cc(C(=O)N2CCc3ccc(Cl)cc32)ccc1NC(=O)[O-] ZINC000829934602 605655601 /nfs/dbraw/zinc/65/56/01/605655601.db2.gz NSFLCCLIVAXMAX-UHFFFAOYSA-N -1 0 330.771 3.941 20 0 EHADRM COc1ccc(CN(C)C(=O)c2ccc(NC(=O)[O-])c(C)c2)cc1C ZINC000829361481 605675422 /nfs/dbraw/zinc/67/54/22/605675422.db2.gz DQHBAJWMJYGJEO-UHFFFAOYSA-N -1 0 342.395 3.674 20 0 EHADRM CC[C@@H](NC(=O)c1ccc(NC(=O)[O-])c(C)c1)c1nc(C)cs1 ZINC000826613877 605678216 /nfs/dbraw/zinc/67/82/16/605678216.db2.gz TUPVEZATUTXCOD-GFCCVEGCSA-N -1 0 333.413 3.731 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)c1c[nH]c2cccc(F)c21 ZINC000833906139 605689551 /nfs/dbraw/zinc/68/95/51/605689551.db2.gz KCNZXRLBRSOPOH-UHFFFAOYSA-N -1 0 327.315 3.958 20 0 EHADRM O=C([O-])Nc1cccc(OC(=O)c2cnc(-c3cccnc3)s2)c1 ZINC000834268369 605690470 /nfs/dbraw/zinc/69/04/70/605690470.db2.gz MGFANVYBHHHQEG-UHFFFAOYSA-N -1 0 341.348 3.514 20 0 EHADRM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000833604789 605709473 /nfs/dbraw/zinc/70/94/73/605709473.db2.gz GUOIOLZDXSERGU-UWVGGRQHSA-N -1 0 345.321 3.971 20 0 EHADRM Cc1cc(C(=O)N2CC[C@@](C)(c3ccccc3)C2)ccc1NC(=O)[O-] ZINC000829919321 605709800 /nfs/dbraw/zinc/70/98/00/605709800.db2.gz JCQSDLRRPOZZQP-HXUWFJFHSA-N -1 0 338.407 3.889 20 0 EHADRM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(NC(=O)[O-])c(C)c2)C12CCC2 ZINC000827379657 605713649 /nfs/dbraw/zinc/71/36/49/605713649.db2.gz LYKIRCLQUBWIJK-HZPDHXFCSA-N -1 0 346.427 3.505 20 0 EHADRM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccsc1C(=O)[O-] ZINC000833606496 605716120 /nfs/dbraw/zinc/71/61/20/605716120.db2.gz QJPZPHWQSBVCCC-HTQZYQBOSA-N -1 0 336.335 3.641 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N2CC[C@@H](NC(=O)[O-])C[C@H]2C)cc1 ZINC000824463241 605735274 /nfs/dbraw/zinc/73/52/74/605735274.db2.gz FEPYESAYCLVCBX-IIDMSEBBSA-N -1 0 346.471 3.951 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N2CCC[C@H]2c2cccc(F)c2)c1 ZINC000834265109 605761822 /nfs/dbraw/zinc/76/18/22/605761822.db2.gz MFZBWBMXXDCHEA-KRWDZBQOSA-N -1 0 342.370 3.822 20 0 EHADRM CCOc1cc(N[C@@H]2C[C@@H](NC(=O)[O-])c3ccccc32)ccc1OC ZINC000833862503 605806793 /nfs/dbraw/zinc/80/67/93/605806793.db2.gz YAJCLLKHGJCYFV-HZPDHXFCSA-N -1 0 342.395 3.960 20 0 EHADRM CC(C)Cc1nc(C(=O)OCc2cc(C(=O)[O-])ccc2F)cs1 ZINC000833492489 605813678 /nfs/dbraw/zinc/81/36/78/605813678.db2.gz HUMDWVVVLLGVIY-UHFFFAOYSA-N -1 0 337.372 3.536 20 0 EHADRM CN(Cc1ccc(Br)o1)Cc1cc(C(=O)[O-])ccc1F ZINC000833694626 605830622 /nfs/dbraw/zinc/83/06/22/605830622.db2.gz WOEXXIVBTYFKOZ-UHFFFAOYSA-N -1 0 342.164 3.511 20 0 EHADRM O=C([O-])Nc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(O)c1 ZINC000834256432 605834914 /nfs/dbraw/zinc/83/49/14/605834914.db2.gz PENMHCSDVYQCMF-UHFFFAOYSA-N -1 0 340.257 3.753 20 0 EHADRM Cc1cc(C(=O)Nc2cc(-c3cccs3)[nH]n2)ccc1NC(=O)[O-] ZINC000829961529 605888468 /nfs/dbraw/zinc/88/84/68/605888468.db2.gz IVVFJEJKXONBOJ-UHFFFAOYSA-N -1 0 342.380 3.789 20 0 EHADRM O=C([O-])NCCCCC(=O)N1Cc2ccccc2-c2ccccc2C1 ZINC000834236540 605896642 /nfs/dbraw/zinc/89/66/42/605896642.db2.gz PRFVYKXNTUWZAS-UHFFFAOYSA-N -1 0 338.407 3.634 20 0 EHADRM Cn1nc(C2CCCC2)cc1NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000833959308 605914959 /nfs/dbraw/zinc/91/49/59/605914959.db2.gz ULLUYMOACIRHBQ-UHFFFAOYSA-N -1 0 346.362 3.559 20 0 EHADRM O=C([O-])N(CC(=O)Nc1ccc(-c2ccc[nH]2)cc1)c1ccccc1 ZINC000834004118 605975151 /nfs/dbraw/zinc/97/51/51/605975151.db2.gz OYNRBMHDPCPVAX-UHFFFAOYSA-N -1 0 335.363 3.805 20 0 EHADRM O=C([O-])NC[C@H](C(=O)Nc1ccc(-c2ccc[nH]2)cc1)c1ccccc1 ZINC000834211061 605976201 /nfs/dbraw/zinc/97/62/01/605976201.db2.gz VSAPRKSCBXXECK-KRWDZBQOSA-N -1 0 349.390 3.672 20 0 EHADRM O=C([O-])N1CCC(CCC(=O)N2CCC[C@H]2c2cccs2)CC1 ZINC000834077813 606001541 /nfs/dbraw/zinc/00/15/41/606001541.db2.gz YQONQVHYQLGKMV-AWEZNQCLSA-N -1 0 336.457 3.582 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NC/C=C\c1ccccc1 ZINC000833906395 606013488 /nfs/dbraw/zinc/01/34/88/606013488.db2.gz COFGWMRWHRRTOE-YVMONPNESA-N -1 0 325.368 3.920 20 0 EHADRM O=C([O-])Nc1cccc(OC[C@H](O)c2cccc(C(F)(F)F)c2)c1 ZINC000834268409 606040827 /nfs/dbraw/zinc/04/08/27/606040827.db2.gz PLGSUQCTFYUXOZ-AWEZNQCLSA-N -1 0 341.285 3.908 20 0 EHADRM O=C([O-])N[C@@H](CC(F)F)C(=O)Nc1cccc(Nc2ccccc2)c1 ZINC000834135125 606046852 /nfs/dbraw/zinc/04/68/52/606046852.db2.gz WGHKRRRASBYWFO-AWEZNQCLSA-N -1 0 349.337 3.660 20 0 EHADRM CCC(C)(C)c1ccc(Oc2nccnc2-c2nnn[n-]2)c(Cl)c1 ZINC000820847595 607039523 /nfs/dbraw/zinc/03/95/23/607039523.db2.gz HMJLXSLKLSWHRN-UHFFFAOYSA-N -1 0 344.806 3.790 20 0 EHADRM C[C@@](NC(=O)c1cc(Cl)sc1Cl)(C(=O)[O-])c1ccccc1 ZINC000224756366 939042878 /nfs/dbraw/zinc/04/28/78/939042878.db2.gz DPIDNAIKSHKBAX-AWEZNQCLSA-N -1 0 344.219 3.785 20 0 EHADRM Cc1cc([C@H](NC(=O)Nc2ccc3c(c2)CCC3)C(=O)[O-])ccc1F ZINC000684742101 939043562 /nfs/dbraw/zinc/04/35/62/939043562.db2.gz NQWOMUJSAAEKKI-KRWDZBQOSA-N -1 0 342.370 3.570 20 0 EHADRM CC(C)c1ccc(CCC(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000236639078 939043920 /nfs/dbraw/zinc/04/39/20/939043920.db2.gz UUICYVIGXCCFPT-IBGZPJMESA-N -1 0 325.408 3.685 20 0 EHADRM Cc1cc2occ(CC(=O)NC3(C(=O)[O-])CCC3)c2cc1C(C)C ZINC000236700455 939044362 /nfs/dbraw/zinc/04/43/62/939044362.db2.gz WWCGVFQOQYFYOD-UHFFFAOYSA-N -1 0 329.396 3.531 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2cccc(OC(F)F)c2)CCCCCC1 ZINC000684744607 939046459 /nfs/dbraw/zinc/04/64/59/939046459.db2.gz KGBYGNCKAUMBIZ-UHFFFAOYSA-N -1 0 342.342 3.587 20 0 EHADRM Cc1cc2cc(NC(=O)N[C@H](C(=O)[O-])c3ccccc3F)ccc2[nH]1 ZINC000684744530 939046540 /nfs/dbraw/zinc/04/65/40/939046540.db2.gz JNBLERBBDMFKON-INIZCTEOSA-N -1 0 341.342 3.563 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2ccc(Oc3cccc(F)c3)cc2)CCC1 ZINC000684746774 939049022 /nfs/dbraw/zinc/04/90/22/939049022.db2.gz HABAFEQXUYBSHL-UHFFFAOYSA-N -1 0 344.342 3.747 20 0 EHADRM O=C([O-])[C@]1(NC(=O)Nc2cccc(C(F)F)c2)CCc2ccccc21 ZINC000684748320 939051012 /nfs/dbraw/zinc/05/10/12/939051012.db2.gz PMAZWQQNHZDWTQ-SFHVURJKSA-N -1 0 346.333 3.672 20 0 EHADRM O=C([O-])C1(NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)CCCCCC1 ZINC000237955721 939052227 /nfs/dbraw/zinc/05/22/27/939052227.db2.gz ATCQBZSNNQNHCN-KBPBESRZSA-N -1 0 335.831 3.737 20 0 EHADRM O=C([O-])C1(NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)CCC1 ZINC000237978032 939052673 /nfs/dbraw/zinc/05/26/73/939052673.db2.gz QRCGJDLYIIPVDI-UHFFFAOYSA-N -1 0 335.812 3.806 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc(C2CCC2)cc1)c1ccccc1F ZINC000685019897 939052741 /nfs/dbraw/zinc/05/27/41/939052741.db2.gz HBTZISDWZNDUQE-QGZVFWFLSA-N -1 0 327.355 3.649 20 0 EHADRM O=C([O-])C1(NC(=O)CCCc2cc(Cl)sc2Cl)CCC1 ZINC000238075592 939057031 /nfs/dbraw/zinc/05/70/31/939057031.db2.gz CHNRHWMGSCKJSC-UHFFFAOYSA-N -1 0 336.240 3.501 20 0 EHADRM O=C([O-])C1(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCCCCC1 ZINC000261959547 939057989 /nfs/dbraw/zinc/05/79/89/939057989.db2.gz XLPXOYIPALOTCZ-VXGBXAGGSA-N -1 0 335.366 3.649 20 0 EHADRM Cc1ccc(-c2cc(C(=O)NC3(C(=O)[O-])CCCCCC3)on2)cc1 ZINC000746366426 939061923 /nfs/dbraw/zinc/06/19/23/939061923.db2.gz VIIHAWBVVBMCAR-UHFFFAOYSA-N -1 0 342.395 3.557 20 0 EHADRM CC1(C)CCC(=CC(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)CC1 ZINC000761586094 939067314 /nfs/dbraw/zinc/06/73/14/939067314.db2.gz RZERHCRWLMCDAT-INIZCTEOSA-N -1 0 337.366 3.733 20 0 EHADRM Cc1cc(C(=O)NC2(C(=O)[O-])CC2)sc1-c1cccc(Cl)c1 ZINC000263544700 939114738 /nfs/dbraw/zinc/11/47/38/939114738.db2.gz SQDAKTWCVOTCEF-UHFFFAOYSA-N -1 0 335.812 3.724 20 0 EHADRM CCCc1cc(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)sc1C ZINC000321217664 939124398 /nfs/dbraw/zinc/12/43/98/939124398.db2.gz JVKVGRPZPAVKEX-GOSISDBHSA-N -1 0 331.437 3.739 20 0 EHADRM CCCCc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000324689920 939126279 /nfs/dbraw/zinc/12/62/79/939126279.db2.gz SOKCTFIKVIBBEC-QGZVFWFLSA-N -1 0 326.396 3.977 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000327469326 939127605 /nfs/dbraw/zinc/12/76/05/939127605.db2.gz JCXHZSGGQNFDER-IBGZPJMESA-N -1 0 342.395 3.595 20 0 EHADRM C[C@](NC(=O)c1csc2ccccc12)(C(=O)[O-])c1ccccc1 ZINC000390869197 939135815 /nfs/dbraw/zinc/13/58/15/939135815.db2.gz OAPCFJQDGQJBBO-GOSISDBHSA-N -1 0 325.389 3.631 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2c(ccc3ccccc23)[nH]1)c1ccccc1 ZINC000431463633 939152730 /nfs/dbraw/zinc/15/27/30/939152730.db2.gz GNZVJJWXNVUILE-LJQANCHMSA-N -1 0 344.370 3.877 20 0 EHADRM Cc1ccc(CCC(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)o1 ZINC000431865291 939164193 /nfs/dbraw/zinc/16/41/93/939164193.db2.gz OUKSCFUXCJLDHN-LJQANCHMSA-N -1 0 337.375 3.616 20 0 EHADRM Cc1cc2cc(NC(=O)N[C@](C)(C(=O)[O-])c3ccccc3)ccc2[nH]1 ZINC000797736743 939199310 /nfs/dbraw/zinc/19/93/10/939199310.db2.gz CDWBBBNSLVZAQP-IBGZPJMESA-N -1 0 337.379 3.598 20 0 EHADRM Cc1cc([C@@H](NC(=O)[C@H]2CCCc3sccc32)C(=O)[O-])ccc1F ZINC000455882052 939209047 /nfs/dbraw/zinc/20/90/47/939209047.db2.gz ILYQHMXPWXIZOX-XJKSGUPXSA-N -1 0 347.411 3.558 20 0 EHADRM CC(C)(C)c1nc2ccc(NC(=O)NC3(C(=O)[O-])CCC3)cc2s1 ZINC000515031638 939239520 /nfs/dbraw/zinc/23/95/20/939239520.db2.gz UTEZBLNTAAKOKJ-UHFFFAOYSA-N -1 0 347.440 3.723 20 0 EHADRM CC[C@@](NC(=O)N[C@@H](C)c1ccc(C)cc1)(C(=O)[O-])c1ccccc1 ZINC000517212620 939247542 /nfs/dbraw/zinc/24/75/42/939247542.db2.gz RHEOBMAECGQKLO-YWZLYKJASA-N -1 0 340.423 3.745 20 0 EHADRM C[C@@](NC(=O)C=C1CCC1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000864146046 939251655 /nfs/dbraw/zinc/25/16/55/939251655.db2.gz QEDVQPDHTRVIEB-HNNXBMFYSA-N -1 0 328.195 3.520 20 0 EHADRM CCCOc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2cccs2)c(C)c1 ZINC000900330770 939275098 /nfs/dbraw/zinc/27/50/98/939275098.db2.gz GIFHGFFOGZFJHW-OAHLLOKOSA-N -1 0 348.424 3.793 20 0 EHADRM CC[C@H](C)Sc1ccc(NC(=O)N[C@H](C(=O)[O-])C2CC2)c(C)c1 ZINC000900332914 939276057 /nfs/dbraw/zinc/27/60/57/939276057.db2.gz GJBLDFYVFMWUBA-NHYWBVRUSA-N -1 0 336.457 3.870 20 0 EHADRM Cc1cc(C)cc([C@@H](C)NC(=O)N[C@@H](C(=O)[O-])c2ccsc2)c1 ZINC000562430009 939325952 /nfs/dbraw/zinc/32/59/52/939325952.db2.gz JDBFVBRBKKWWTM-IUODEOHRSA-N -1 0 332.425 3.551 20 0 EHADRM Cc1ccc(CNC(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)c(C)c1 ZINC000570116790 939380946 /nfs/dbraw/zinc/38/09/46/939380946.db2.gz UXJMVPNNZPEPOY-GOSISDBHSA-N -1 0 340.423 3.545 20 0 EHADRM O=C([O-])[C@H](NC(=O)N[C@H]1CCCCc2ccccc21)c1ccsc1 ZINC000572198082 939397200 /nfs/dbraw/zinc/39/72/00/939397200.db2.gz KNYRLXBSYLNFAQ-JKSUJKDBSA-N -1 0 344.436 3.641 20 0 EHADRM CC(C)COc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccsc2)c1 ZINC000573062553 939405035 /nfs/dbraw/zinc/40/50/35/939405035.db2.gz HQOGMEKBPBQGET-HNNXBMFYSA-N -1 0 348.424 3.730 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CC1CC(c2ccccc2)C1)c1ccsc1 ZINC000574100956 939723844 /nfs/dbraw/zinc/72/38/44/939723844.db2.gz BGFYBSFVVGILOR-QOJXUVEWSA-N -1 0 329.421 3.574 20 0 EHADRM CCC1CCC(NC(=O)Nc2cccc([C@@H](C)OC)c2)(C(=O)[O-])CC1 ZINC000575860992 939735345 /nfs/dbraw/zinc/73/53/45/939735345.db2.gz VQWFUTYKZKKBEQ-VFPJAPOESA-N -1 0 348.443 3.939 20 0 EHADRM C[C@](NC(=O)[C@@]12C[C@@H]1CCC2)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000576386429 939738802 /nfs/dbraw/zinc/73/88/02/939738802.db2.gz LFOJMXFISNTMLK-JQAFLVLXSA-N -1 0 342.222 3.600 20 0 EHADRM O=C([O-])[C@H](NC(=O)N[C@@H]1CC=CCC1)c1ccc(Cl)cc1Cl ZINC000576574149 939740205 /nfs/dbraw/zinc/74/02/05/939740205.db2.gz SOOGCEVWUABZTQ-ZWNOBZJWSA-N -1 0 343.210 3.527 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)NC2(C(=O)[O-])CCCC2)c1 ZINC000577017170 939743888 /nfs/dbraw/zinc/74/38/88/939743888.db2.gz NSXFWWDIYCTHQV-UHFFFAOYSA-N -1 0 334.416 3.630 20 0 EHADRM Cc1cc(C)cc([C@H](NC(=O)c2ccsc2C(F)F)C(=O)[O-])c1 ZINC000923083383 939785437 /nfs/dbraw/zinc/78/54/37/939785437.db2.gz XFPFGYAHZNYCCS-LBPRGKRZSA-N -1 0 339.363 3.858 20 0 EHADRM Cc1cccc([C@@H](NC(=O)N[C@@H](C)c2ccsc2)C(=O)[O-])c1C ZINC000929033378 939795194 /nfs/dbraw/zinc/79/51/94/939795194.db2.gz IACRRLQGEJSOOW-SWLSCSKDSA-N -1 0 332.425 3.551 20 0 EHADRM O=C([O-])[C@H](NC(=O)CC(C1CC1)C1CC1)c1ccc(Cl)c(F)c1 ZINC001116480743 939810207 /nfs/dbraw/zinc/81/02/07/939810207.db2.gz QKZWWPBLIBQTES-MRXNPFEDSA-N -1 0 339.794 3.547 20 0 EHADRM CCC[C@H](C(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1)c1ccccn1 ZINC000630247929 939820231 /nfs/dbraw/zinc/82/02/31/939820231.db2.gz LQOARRGHGFCEKC-LIRRHRJNSA-N -1 0 332.444 3.505 20 0 EHADRM CC[C@@](NC(=O)c1cc[nH]c1C(C)C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001123380178 939824853 /nfs/dbraw/zinc/82/48/53/939824853.db2.gz MVNBQXDBBBZHOE-SFHVURJKSA-N -1 0 348.830 3.911 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cccc(C2CCCC2)c1)c1cccs1 ZINC000659150811 939847905 /nfs/dbraw/zinc/84/79/05/939847905.db2.gz FSQFRWXMQOGFMD-INIZCTEOSA-N -1 0 329.421 3.961 20 0 EHADRM CC(C)[C@H](CC(=O)N[C@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000675979188 939864132 /nfs/dbraw/zinc/86/41/32/939864132.db2.gz CWPFGKNTUXHPND-RXVVDRJESA-N -1 0 339.435 3.933 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000675980288 939864850 /nfs/dbraw/zinc/86/48/50/939864850.db2.gz NMJJYJBANJSGEE-LIRRHRJNSA-N -1 0 343.448 3.531 20 0 EHADRM C[C@](NC(=O)[C@H]1C[C@H]1c1ccccc1Cl)(C(=O)[O-])c1ccccc1 ZINC000675982827 939866144 /nfs/dbraw/zinc/86/61/44/939866144.db2.gz RKZWNSTVTOWABM-YZVOILCLSA-N -1 0 343.810 3.560 20 0 EHADRM Cc1ccc(CCCCC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000678984742 939868759 /nfs/dbraw/zinc/86/87/59/939868759.db2.gz GATBSNXJOIWXPG-LJQANCHMSA-N -1 0 343.398 3.789 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000678985886 939869044 /nfs/dbraw/zinc/86/90/44/939869044.db2.gz CFSCPJHPHLJFKA-MRXNPFEDSA-N -1 0 329.371 3.679 20 0 EHADRM COc1ccc(Cl)cc1NC(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000321754218 970804897 /nfs/dbraw/zinc/80/48/97/970804897.db2.gz LVBZQYPIEKDAMK-UHFFFAOYSA-N -1 0 340.807 3.648 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)CCC2 ZINC001600498297 970817383 /nfs/dbraw/zinc/81/73/83/970817383.db2.gz XDWBXPNFWKHZIF-YJBOKZPZSA-N -1 0 344.455 3.659 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)ccc1F ZINC000322275277 970867470 /nfs/dbraw/zinc/86/74/70/970867470.db2.gz OFXPOYHFCSABHU-MWLCHTKSSA-N -1 0 333.281 3.831 20 0 EHADRM Cc1ccc(C(=O)N2CCc3c(cccc3C(=O)[O-])C2)cc1Cl ZINC000322254364 970864029 /nfs/dbraw/zinc/86/40/29/970864029.db2.gz FCGGQCMTBULWIY-UHFFFAOYSA-N -1 0 329.783 3.545 20 0 EHADRM C[C@@H]1CCN(Cc2ncc(-c3cccc(Cl)c3)o2)[C@H](C(=O)[O-])C1 ZINC000322631779 970911958 /nfs/dbraw/zinc/91/19/58/970911958.db2.gz SKOOQOPCCRNTBK-RISCZKNCSA-N -1 0 334.803 3.680 20 0 EHADRM COc1cc(NC(=O)c2ccc(CSC)cc2)ccc1C(=O)[O-] ZINC000323199390 970976346 /nfs/dbraw/zinc/97/63/46/970976346.db2.gz KBSWKCNXUPKDPZ-UHFFFAOYSA-N -1 0 331.393 3.509 20 0 EHADRM Cc1cc(OCc2ccc(C(=O)[O-])cc2F)c(Cl)cc1[N+](=O)[O-] ZINC000323403174 971000087 /nfs/dbraw/zinc/00/00/87/971000087.db2.gz BJDUBZKOQMLCHF-UHFFFAOYSA-N -1 0 339.706 3.973 20 0 EHADRM COCc1ccc(NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000323474520 971008509 /nfs/dbraw/zinc/00/85/09/971008509.db2.gz YPUQLLAJPNLGJH-UHFFFAOYSA-N -1 0 334.759 3.829 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CCc3ccc(F)cc32)ccc1Cl ZINC000323477699 971008518 /nfs/dbraw/zinc/00/85/18/971008518.db2.gz YMBUUORBVOMLNJ-UHFFFAOYSA-N -1 0 334.734 3.772 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2coc(-c3ccccc3)n2)c2ccccc21 ZINC001601829241 971060093 /nfs/dbraw/zinc/06/00/93/971060093.db2.gz QDKCFJKPPAYSJR-OAHLLOKOSA-N -1 0 348.358 3.560 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000324115165 971086292 /nfs/dbraw/zinc/08/62/92/971086292.db2.gz OOXHACSSMCCASO-UHFFFAOYSA-N -1 0 341.260 3.724 20 0 EHADRM O=C([O-])c1cc(NC(=O)Cc2ccc3c(c2)CCCC3)ccc1F ZINC000324227717 971098648 /nfs/dbraw/zinc/09/86/48/971098648.db2.gz REGXGTWEZFXDHX-UHFFFAOYSA-N -1 0 327.355 3.584 20 0 EHADRM Cc1cc([C@H](C)NC(=O)NCCc2ccc(C(=O)[O-])cc2)c(C)s1 ZINC000324509694 971127691 /nfs/dbraw/zinc/12/76/91/971127691.db2.gz MOAKJYSFCGQSKC-LBPRGKRZSA-N -1 0 346.452 3.666 20 0 EHADRM CSc1ccc(COc2cn(-c3ccccc3)nc2C(=O)[O-])cc1 ZINC000324847419 971162994 /nfs/dbraw/zinc/16/29/94/971162994.db2.gz GHKSXHNUENWSKH-UHFFFAOYSA-N -1 0 340.404 3.871 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)NCCc2ccccc2C(=O)[O-])c(C)s1 ZINC000324916068 971169180 /nfs/dbraw/zinc/16/91/80/971169180.db2.gz KJORENSQJITAAV-GFCCVEGCSA-N -1 0 346.452 3.666 20 0 EHADRM CCN(c1cccc(C)c1)S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000325072792 971182224 /nfs/dbraw/zinc/18/22/24/971182224.db2.gz FXFJBYIFDFHNEH-UHFFFAOYSA-N -1 0 347.436 3.525 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000325248767 971197098 /nfs/dbraw/zinc/19/70/98/971197098.db2.gz JXRWIZSXDYFLBU-UHFFFAOYSA-N -1 0 344.798 3.937 20 0 EHADRM O=C([O-])c1ccccc1CCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000325243107 971197247 /nfs/dbraw/zinc/19/72/47/971197247.db2.gz IINHJUGEVNRVHP-BHYGNILZSA-N -1 0 329.440 3.650 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000325244312 971197364 /nfs/dbraw/zinc/19/73/64/971197364.db2.gz IRXIYUNNHMODDU-YPMHNXCESA-N -1 0 341.329 3.643 20 0 EHADRM CC(C)c1ccc(NC(=O)NCc2ccccc2CC(=O)[O-])cc1 ZINC000325254534 971198275 /nfs/dbraw/zinc/19/82/75/971198275.db2.gz BVPWEINKWGXCAW-UHFFFAOYSA-N -1 0 326.396 3.759 20 0 EHADRM Cc1ccc(F)c(C(=O)N(CCC(=O)[O-])c2ccccc2C)c1F ZINC000325374580 971208774 /nfs/dbraw/zinc/20/87/74/971208774.db2.gz QIYSJHWYPHNQAX-UHFFFAOYSA-N -1 0 333.334 3.703 20 0 EHADRM Cc1ccc2oc(C(=O)Nc3cc(F)c(C(=O)[O-])c(F)c3)cc2c1 ZINC000325634525 971233127 /nfs/dbraw/zinc/23/31/27/971233127.db2.gz UZPDLMJVPVEUCD-UHFFFAOYSA-N -1 0 331.274 3.970 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)c1cnc(Cl)c2ccccc12 ZINC000326108400 971267911 /nfs/dbraw/zinc/26/79/11/971267911.db2.gz ZPTLAYIRNIBKBV-UHFFFAOYSA-N -1 0 344.729 3.978 20 0 EHADRM CC(C)c1ccc(OCC(=O)NCC2(CC(=O)[O-])CCCCC2)cc1 ZINC000326426940 971292151 /nfs/dbraw/zinc/29/21/51/971292151.db2.gz VAYVGQBBLFXPGX-UHFFFAOYSA-N -1 0 347.455 3.730 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cc3ccccc3c(Cl)n2)c1O ZINC000326472526 971296989 /nfs/dbraw/zinc/29/69/89/971296989.db2.gz TVYXJOJIQVLVLE-UHFFFAOYSA-N -1 0 342.738 3.544 20 0 EHADRM Cc1cc(C)c(NC(=O)COc2ccc(C)c(C(=O)[O-])c2)c(Cl)c1 ZINC000326588952 971306939 /nfs/dbraw/zinc/30/69/39/971306939.db2.gz CHICOWLXCNXRPA-UHFFFAOYSA-N -1 0 347.798 3.981 20 0 EHADRM N#Cc1ccc(OCCOc2ccc(/C=C\C(=O)[O-])cc2)c(Cl)c1 ZINC000326611056 971309789 /nfs/dbraw/zinc/30/97/89/971309789.db2.gz OOPYMEYFRYWYNL-YWEYNIOJSA-N -1 0 343.766 3.767 20 0 EHADRM N#Cc1ccc(OCCOc2ccc(/C=C\C(=O)[O-])cc2)cc1Cl ZINC000326676860 971316166 /nfs/dbraw/zinc/31/61/66/971316166.db2.gz OJGCMDBARMQOHW-BAQGIRSFSA-N -1 0 343.766 3.767 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](c2nc([C@@H]3CCc4ccccc4C3)no2)C1 ZINC000326701295 971317954 /nfs/dbraw/zinc/31/79/54/971317954.db2.gz VCZXHASAQSUKNE-BZUAXINKSA-N -1 0 326.396 3.701 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)c2cc(-c3ccccc3)no2)cc1F ZINC000326849238 971334973 /nfs/dbraw/zinc/33/49/73/971334973.db2.gz PLDNLMKIWGMYOF-UHFFFAOYSA-N -1 0 344.273 3.570 20 0 EHADRM CC(C)c1ccccc1OCC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000326861098 971336797 /nfs/dbraw/zinc/33/67/97/971336797.db2.gz UNATUEVYYIWLDH-UHFFFAOYSA-N -1 0 349.333 3.804 20 0 EHADRM CC(C)OCc1ccc(C(=O)N2CCc3ccc(C(=O)[O-])cc32)cc1 ZINC000326961669 971350243 /nfs/dbraw/zinc/35/02/43/971350243.db2.gz ITLPHJSDXMHYBI-UHFFFAOYSA-N -1 0 339.391 3.513 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H]1NC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000327118750 971368735 /nfs/dbraw/zinc/36/87/35/971368735.db2.gz RBOLRUXZXAKVOE-DLBZAZTESA-N -1 0 340.379 3.854 20 0 EHADRM O=C([O-])c1ccccc1CCNC(=O)Nc1cccc2c1CCCC2 ZINC000327521362 971407091 /nfs/dbraw/zinc/40/70/91/971407091.db2.gz NVSYQUZDYIQAJE-UHFFFAOYSA-N -1 0 338.407 3.628 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)Cc2ccc3ccccc3c2)c1F ZINC000327884850 971431867 /nfs/dbraw/zinc/43/18/67/971431867.db2.gz DHJAXROTZUSFIE-UHFFFAOYSA-N -1 0 341.313 3.997 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)c2cccc(-n3cccc3)c2)c1F ZINC000327950040 971436884 /nfs/dbraw/zinc/43/68/84/971436884.db2.gz RRXWRQSTMNVBCA-UHFFFAOYSA-N -1 0 342.301 3.706 20 0 EHADRM CC[C@H]1CC[C@H](C(=O)Nc2cc(OC)c(OC)cc2C(=O)[O-])CC1 ZINC000328474145 971478309 /nfs/dbraw/zinc/47/83/09/971478309.db2.gz NYDVKSKSIHTYER-HAQNSBGRSA-N -1 0 335.400 3.557 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)o1 ZINC001602772637 971505124 /nfs/dbraw/zinc/50/51/24/971505124.db2.gz NPWIEQPWTORISX-QMMMGPOBSA-N -1 0 347.392 3.619 20 0 EHADRM CC[C@H](CNc1nc(C)nc2sc3c(c21)CC[C@@H](C)C3)C(=O)[O-] ZINC001589555471 948789368 /nfs/dbraw/zinc/78/93/68/948789368.db2.gz TVHVJDWJZGQQOO-MWLCHTKSSA-N -1 0 333.457 3.647 20 0 EHADRM CC[C@@H](CSc1ccccc1)NC(=O)c1cccc(C(=O)[O-])c1 ZINC001589557917 948799328 /nfs/dbraw/zinc/79/93/28/948799328.db2.gz LUZPQPOZSAIGPV-HNNXBMFYSA-N -1 0 329.421 3.686 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)cc1 ZINC000347136803 971521890 /nfs/dbraw/zinc/52/18/90/971521890.db2.gz OQNCOWSTIKOJGR-JKSUJKDBSA-N -1 0 329.783 3.709 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000349454378 971527658 /nfs/dbraw/zinc/52/76/58/971527658.db2.gz DWLBHKXZIMMRGX-UHFFFAOYSA-N -1 0 335.363 3.644 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)cc1 ZINC000354171079 971529854 /nfs/dbraw/zinc/52/98/54/971529854.db2.gz FHKNAUOVRZHPDS-HOTGVXAUSA-N -1 0 345.782 3.546 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)c(F)c1 ZINC000358609643 971531520 /nfs/dbraw/zinc/53/15/20/971531520.db2.gz PJNJZEYOJQZYFH-UHFFFAOYSA-N -1 0 340.310 3.795 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)[C@H](C)c1cccs1)C(=O)[O-] ZINC000362530222 971536159 /nfs/dbraw/zinc/53/61/59/971536159.db2.gz VZUKBPLVAMJRKD-ZIAGYGMSSA-N -1 0 331.437 3.601 20 0 EHADRM CC[C@@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)C(=O)[O-] ZINC001589586817 949059984 /nfs/dbraw/zinc/05/99/84/949059984.db2.gz XPCXPAOQCMYVIC-CQSZACIVSA-N -1 0 342.424 3.717 20 0 EHADRM CCC[C@@H](NC(=O)C[C@@H](Cc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000347423315 971526096 /nfs/dbraw/zinc/52/60/96/971526096.db2.gz OHUREEMTGBIJPK-RTBURBONSA-N -1 0 339.435 3.773 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC2(Cc3cccc(Cl)c3)CC2)cc1 ZINC001595215689 949224321 /nfs/dbraw/zinc/22/43/21/949224321.db2.gz ZBKORGMAVPGBED-UHFFFAOYSA-N -1 0 329.783 3.543 20 0 EHADRM O=C([O-])c1ccc(C(=O)Oc2ccc(Cl)c(C(F)(F)F)c2)nc1 ZINC001595225955 949293497 /nfs/dbraw/zinc/29/34/97/949293497.db2.gz REPHKTHMALJEPN-UHFFFAOYSA-N -1 0 345.660 3.671 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)o1 ZINC001595226393 949298427 /nfs/dbraw/zinc/29/84/27/949298427.db2.gz VVSGIVIICDTCHI-SBJJXXPASA-N -1 0 347.317 3.633 20 0 EHADRM CCC(CC)(CNC(=O)c1cc(Cl)cc2cccnc21)C(=O)[O-] ZINC000191120701 949504292 /nfs/dbraw/zinc/50/42/92/949504292.db2.gz YXRUBUMQAUHZRQ-UHFFFAOYSA-N -1 0 334.803 3.509 20 0 EHADRM O=C([O-])CCCc1csc(NC(=O)c2csc(Cl)c2)n1 ZINC000378995278 971589026 /nfs/dbraw/zinc/58/90/26/971589026.db2.gz QDXZILSBAJUREQ-UHFFFAOYSA-N -1 0 330.818 3.518 20 0 EHADRM CCCC[C@@H](C)C(=O)Nc1scc(-c2cnn(C)c2)c1C(=O)[O-] ZINC001589641381 949691895 /nfs/dbraw/zinc/69/18/95/949691895.db2.gz TULSGPFCAKMRQG-SNVBAGLBSA-N -1 0 335.429 3.612 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)[C@H]2CC[C@H]2c2ccc(Cl)cc2F)c1 ZINC001595262909 949705997 /nfs/dbraw/zinc/70/59/97/949705997.db2.gz ZPURCUBOJYYPFZ-AAEUAGOBSA-N -1 0 348.761 3.705 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)c2ccccc2NCc2ccccc2)c1 ZINC001595263528 949718287 /nfs/dbraw/zinc/71/82/87/949718287.db2.gz GNPBKVVAOSFPMX-UHFFFAOYSA-N -1 0 347.374 3.644 20 0 EHADRM O=C([O-])c1cncc(NC(=O)[C@@H]2CC[C@H]2c2ccc(Cl)cc2F)c1 ZINC001595271750 949836758 /nfs/dbraw/zinc/83/67/58/949836758.db2.gz XSLNNFXKCGJOHC-GXTWGEPZSA-N -1 0 348.761 3.705 20 0 EHADRM CCC(CC)(CNC(=O)CSCc1cccc(Cl)c1)C(=O)[O-] ZINC000236842630 949938883 /nfs/dbraw/zinc/93/88/83/949938883.db2.gz OPRRZMOYXMCUHH-UHFFFAOYSA-N -1 0 343.876 3.580 20 0 EHADRM Cc1cccc(C2(C(=O)N3CC[C@](C)(C(=O)[O-])C3)CCCCC2)c1 ZINC000237925598 949980221 /nfs/dbraw/zinc/98/02/21/949980221.db2.gz QVLFMMLZMYZQDE-IBGZPJMESA-N -1 0 329.440 3.520 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000261952404 950053448 /nfs/dbraw/zinc/05/34/48/950053448.db2.gz WOYVSARWMJCOMH-CABZTGNLSA-N -1 0 335.787 3.577 20 0 EHADRM CC(C)(C)c1nc2ccc(NC(=O)[C@H]3CC[C@H]3C(=O)[O-])cc2s1 ZINC000262120518 950066573 /nfs/dbraw/zinc/06/65/73/950066573.db2.gz NGCPRGHDKFVPQV-WDEREUQCSA-N -1 0 332.425 3.643 20 0 EHADRM CCCc1ccc(-c2nc(NC(=O)[C@H](C)C(=O)[O-])sc2C)cc1 ZINC001589691523 950117502 /nfs/dbraw/zinc/11/75/02/950117502.db2.gz NCWJFBASPRZOOI-JTQLQIEISA-N -1 0 332.425 3.730 20 0 EHADRM C[C@H](C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000262912529 950186205 /nfs/dbraw/zinc/18/62/05/950186205.db2.gz IVNWGDVXEWJPFA-JFGNBEQYSA-N -1 0 344.238 3.666 20 0 EHADRM C[C@@H]1CN(C(=O)C2(c3cccc(F)c3)CCCCC2)CC[C@@H]1C(=O)[O-] ZINC000263062660 950240809 /nfs/dbraw/zinc/24/08/09/950240809.db2.gz STIZXVQCRKKJHQ-PBHICJAKSA-N -1 0 347.430 3.597 20 0 EHADRM CCN(C(=O)Nc1c(C)cc(C(F)(F)F)cc1C)[C@H](C)C(=O)[O-] ZINC001589703088 950245242 /nfs/dbraw/zinc/24/52/42/950245242.db2.gz LECOVKPRCZNVLM-SNVBAGLBSA-N -1 0 332.322 3.649 20 0 EHADRM CCN(C(=O)Nc1c(C)c2ccccc2nc1SC)[C@@H](C)C(=O)[O-] ZINC001589703905 950261375 /nfs/dbraw/zinc/26/13/75/950261375.db2.gz XGOOWKXKGLYXCH-NSHDSACASA-N -1 0 347.440 3.592 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCC(C)(C)C(=O)[O-])c1 ZINC000263123013 950277503 /nfs/dbraw/zinc/27/75/03/950277503.db2.gz VKIWEHPRIBGUFQ-AWEZNQCLSA-N -1 0 335.444 3.503 20 0 EHADRM C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)CC[C@H]1C(=O)[O-] ZINC000263138773 950289378 /nfs/dbraw/zinc/28/93/78/950289378.db2.gz YGSDLFKZHYHRAI-OYYCAODRSA-N -1 0 337.419 3.513 20 0 EHADRM C[C@@H](CN(C)C(=O)N[C@H](CC1CCCC1)c1ccccc1)C(=O)[O-] ZINC000263237971 950337576 /nfs/dbraw/zinc/33/75/76/950337576.db2.gz NHWLPYNQKNIDTG-WMLDXEAASA-N -1 0 332.444 3.670 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccccc2NC2CCCCC2)C1 ZINC000263400690 950440265 /nfs/dbraw/zinc/44/02/65/950440265.db2.gz ZYSMAORZHSUBAB-LSDHHAIUSA-N -1 0 344.455 3.614 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)Oc2cccc(-c3ccncc3)c2)co1 ZINC001594972856 950876187 /nfs/dbraw/zinc/87/61/87/950876187.db2.gz ZHGCJMIDVMHPJP-SNAWJCMRSA-N -1 0 335.315 3.659 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000318543421 950927489 /nfs/dbraw/zinc/92/74/89/950927489.db2.gz LTYUGADWPLSEGO-UHIISALHSA-N -1 0 341.860 3.532 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000318875307 950942090 /nfs/dbraw/zinc/94/20/90/950942090.db2.gz LCZFITCZLXXYIA-NSHDSACASA-N -1 0 326.824 3.543 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)N[C@H]1CCCc2sccc21 ZINC000320831284 951001805 /nfs/dbraw/zinc/00/18/05/951001805.db2.gz ZPNSEUKRUVBWTB-JSGCOSHPSA-N -1 0 336.457 3.554 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)Nc2ccccc2SC(F)F)CC1 ZINC000320783993 951002804 /nfs/dbraw/zinc/00/28/04/951002804.db2.gz VUPBMXJJZYJPMJ-UHFFFAOYSA-N -1 0 344.383 3.720 20 0 EHADRM CSc1ccc([C@H](C)NC(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC000322456710 951029782 /nfs/dbraw/zinc/02/97/82/951029782.db2.gz GEWLPSALJDNSLI-LBPRGKRZSA-N -1 0 329.421 3.527 20 0 EHADRM CC(C)OCc1ccc(C(=O)NC2(CC(=O)[O-])CCCCC2)cc1 ZINC000325638971 951089819 /nfs/dbraw/zinc/08/98/19/951089819.db2.gz WCGAZPLCPLAPKT-UHFFFAOYSA-N -1 0 333.428 3.519 20 0 EHADRM CC(C)(C)c1ncc(C(=O)Nc2cccc(CCC(=O)[O-])c2)s1 ZINC000344046170 951133417 /nfs/dbraw/zinc/13/34/17/951133417.db2.gz NFOIKGDROWMVGC-UHFFFAOYSA-N -1 0 332.425 3.710 20 0 EHADRM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1cccnc1C(=O)[O-] ZINC000385291461 951279152 /nfs/dbraw/zinc/27/91/52/951279152.db2.gz FYJZJPUEHHLXOE-ZDUSSCGKSA-N -1 0 339.395 3.612 20 0 EHADRM CCOc1c(Cl)cccc1CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001592009650 951292298 /nfs/dbraw/zinc/29/22/98/951292298.db2.gz UESCQYHWZGZORS-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM Cc1nc(C)c(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)s1 ZINC000386617084 951301258 /nfs/dbraw/zinc/30/12/58/951301258.db2.gz APXCQLKXQCFPPH-UHFFFAOYSA-N -1 0 336.438 3.651 20 0 EHADRM CCOc1ccc(Cl)c(NC(=O)[C@H](C(=O)[O-])C2CCCC2)c1 ZINC001592663425 951346923 /nfs/dbraw/zinc/34/69/23/951346923.db2.gz VQDJRIYKCCAQEI-CQSZACIVSA-N -1 0 325.792 3.568 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1cccnc1C(=O)[O-] ZINC000391318199 951394583 /nfs/dbraw/zinc/39/45/83/951394583.db2.gz DBRGWENFRFHUIS-JTQLQIEISA-N -1 0 333.775 3.658 20 0 EHADRM O=C([O-])CCCCCNC(=O)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC001595036070 951406465 /nfs/dbraw/zinc/40/64/65/951406465.db2.gz UAXVZIUHJNVFTM-TZMCWYRMSA-N -1 0 341.810 3.734 20 0 EHADRM Cc1ccc(NC(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1C(F)(F)F ZINC000392284613 951416795 /nfs/dbraw/zinc/41/67/95/951416795.db2.gz WYOVXQXSJZPNLU-ZYHUDNBSSA-N -1 0 344.333 3.588 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000397086690 951518870 /nfs/dbraw/zinc/51/88/70/951518870.db2.gz SSMRRMLMCHIYOA-BDAKNGLRSA-N -1 0 331.199 3.710 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)N[C@@H]2CCc3ccc(F)cc32)c1 ZINC001595067105 951563128 /nfs/dbraw/zinc/56/31/28/951563128.db2.gz WPCCTASSKXEBMT-QGZVFWFLSA-N -1 0 342.370 3.652 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1cc(Cl)ccc1OC1CCCC1 ZINC001595181938 952253864 /nfs/dbraw/zinc/25/38/64/952253864.db2.gz HAHXPYGVPXVCSR-CHWSQXEVSA-N -1 0 337.803 3.711 20 0 EHADRM CC(C)(C)OC1CCC(NC(=O)C2(C(=O)[O-])CCCCCC2)CC1 ZINC001602915997 971868881 /nfs/dbraw/zinc/86/88/81/971868881.db2.gz OLYYKWJDYIHDDW-UHFFFAOYSA-N -1 0 339.476 3.654 20 0 EHADRM CCCN(Cc1ccccc1)C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000383604903 971879816 /nfs/dbraw/zinc/87/98/16/971879816.db2.gz WEYUZWDPDHODCT-UHFFFAOYSA-N -1 0 340.423 3.549 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCN(C(=O)C1(CC(=O)[O-])CCC1)C2 ZINC001602923039 971884527 /nfs/dbraw/zinc/88/45/27/971884527.db2.gz IDHINZFBYXAYKM-UHFFFAOYSA-N -1 0 329.440 3.514 20 0 EHADRM Cc1ccc(CN(C(=O)NCCCCCC(=O)[O-])C2CC2)cc1C ZINC000414607162 953396055 /nfs/dbraw/zinc/39/60/55/953396055.db2.gz GHORRYVPVFLWIE-UHFFFAOYSA-N -1 0 332.444 3.622 20 0 EHADRM C[C@H](NC(=O)N(C)CCCC(=O)[O-])c1cc(Cl)ccc1Cl ZINC000414609824 953398291 /nfs/dbraw/zinc/39/82/91/953398291.db2.gz JWVBLZJSUOXJES-VIFPVBQESA-N -1 0 333.215 3.561 20 0 EHADRM C[C@@H]1C[C@H]1[C@@H](NC(=O)N(C)CCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000414635212 953405701 /nfs/dbraw/zinc/40/57/01/953405701.db2.gz ZUBKGYRVXISERI-XFJVYGCCSA-N -1 0 338.835 3.543 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc(COC(C)(C)C)cc2)C1 ZINC001589271612 953412842 /nfs/dbraw/zinc/41/28/42/953412842.db2.gz JEGAIFMENGJGAO-ZFWWWQNUSA-N -1 0 348.443 3.576 20 0 EHADRM C[C@H]1CCCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)[C@H]1C(=O)[O-] ZINC000424246820 953433731 /nfs/dbraw/zinc/43/37/31/953433731.db2.gz HJUYHLNSWSPSHE-QPUJVOFHSA-N -1 0 349.736 3.684 20 0 EHADRM CC[C@H]1c2ccsc2CCN1C(=O)NCC(CC)(CC)C(=O)[O-] ZINC000424419159 953478039 /nfs/dbraw/zinc/47/80/39/953478039.db2.gz ZVWGYAVOKCHBHT-ZDUSSCGKSA-N -1 0 338.473 3.658 20 0 EHADRM CCC(CC)(CNC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1)C(=O)[O-] ZINC000424435043 953486170 /nfs/dbraw/zinc/48/61/70/953486170.db2.gz URFYXSMEBWUDSE-GOEBONIOSA-N -1 0 332.444 3.670 20 0 EHADRM COc1ccc2nc(CN[C@@H](CCC(C)(C)C)C(=O)[O-])sc2c1 ZINC000426762553 953492889 /nfs/dbraw/zinc/49/28/89/953492889.db2.gz LFDHCRNZEYPPIU-ZDUSSCGKSA-N -1 0 336.457 3.674 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000427729843 953496775 /nfs/dbraw/zinc/49/67/75/953496775.db2.gz CHOYAAJLVFZMQY-LLVKDONJSA-N -1 0 333.771 3.725 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000507283274 953535205 /nfs/dbraw/zinc/53/52/05/953535205.db2.gz UNEKSZMEJHJMPN-UONOGXRCSA-N -1 0 346.770 3.577 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)NCc1cc2ccccc2s1 ZINC001594767745 953537310 /nfs/dbraw/zinc/53/73/10/953537310.db2.gz IRXMMRFCYBHPHY-UHFFFAOYSA-N -1 0 340.404 3.599 20 0 EHADRM CC(C)(c1csc(NC(=O)C2(C(=O)[O-])CCC2)n1)c1ccccc1 ZINC001602959022 971939101 /nfs/dbraw/zinc/93/91/01/971939101.db2.gz PPMGCSSWJBZHCT-UHFFFAOYSA-N -1 0 344.436 3.662 20 0 EHADRM CC[C@H](OC(=O)C1(CC(=O)[O-])CCOCC1)c1cccc(Cl)c1 ZINC001593625735 953549297 /nfs/dbraw/zinc/54/92/97/953549297.db2.gz RXPVPQWEZJQGTF-AWEZNQCLSA-N -1 0 340.803 3.606 20 0 EHADRM C[C@H](NC(=O)N[C@@H]1CCC(C)(C)C[C@H]1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589284991 953554718 /nfs/dbraw/zinc/55/47/18/953554718.db2.gz QQNIEHMXCBBFBF-GZBLMMOJSA-N -1 0 338.492 3.636 20 0 EHADRM CCCOc1ccc(CCC(=O)NC2(CC(=O)[O-])CCCCC2)cc1 ZINC000532259329 953563254 /nfs/dbraw/zinc/56/32/54/953563254.db2.gz ABIVODZPWUJREN-UHFFFAOYSA-N -1 0 347.455 3.702 20 0 EHADRM CCCCCOc1ccc(C(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000533188375 953568565 /nfs/dbraw/zinc/56/85/65/953568565.db2.gz KLQIXXZEBGNHNS-OAHLLOKOSA-N -1 0 333.428 3.583 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C[C@@H]1C(=O)[O-] ZINC000563143697 953596876 /nfs/dbraw/zinc/59/68/76/953596876.db2.gz ROPZXTCIOIDFGK-APPZFPTMSA-N -1 0 349.189 3.707 20 0 EHADRM CCc1cc2c(CC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)csc2s1 ZINC001593634088 953600057 /nfs/dbraw/zinc/60/00/57/953600057.db2.gz LVLRESWGEMVALU-XPTSAGLGSA-N -1 0 339.482 3.683 20 0 EHADRM CCc1ccc([C@H]2CCCCCN2C(=O)NC[C@H](CC)C(=O)[O-])o1 ZINC001593637284 953616326 /nfs/dbraw/zinc/61/63/26/953616326.db2.gz RHNVSEPTBLNHMQ-DZGCQCFKSA-N -1 0 336.432 3.580 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2cccnc2C(=O)[O-])C1 ZINC001589294172 953628410 /nfs/dbraw/zinc/62/84/10/953628410.db2.gz FULRZVFATMIKNF-NHYWBVRUSA-N -1 0 343.358 3.534 20 0 EHADRM CCc1cccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)n1 ZINC001593640059 953636862 /nfs/dbraw/zinc/63/68/62/953636862.db2.gz JZOFSZPYWGUYTP-UHFFFAOYSA-N -1 0 330.409 3.535 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2sccc2nc1Cl)c1ccccc1 ZINC001594784884 953657406 /nfs/dbraw/zinc/65/74/06/953657406.db2.gz FLEIUCYVSGYTNB-ZDUSSCGKSA-N -1 0 346.795 3.505 20 0 EHADRM Cc1nc2c(F)cccc2cc1C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000571459894 953661205 /nfs/dbraw/zinc/66/12/05/953661205.db2.gz FTEUMCQAHSPUJB-CQSZACIVSA-N -1 0 344.386 3.542 20 0 EHADRM C[C@H](NC(=O)C1(CC(=O)[O-])CCC1)c1nc(-c2ccccc2)cs1 ZINC000571527636 953661324 /nfs/dbraw/zinc/66/13/24/953661324.db2.gz ZJFGFOLMBGYBEN-LBPRGKRZSA-N -1 0 344.436 3.632 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1ccc2ccnc(Cl)c2c1 ZINC001589302959 953703745 /nfs/dbraw/zinc/70/37/45/953703745.db2.gz CILSBNAEXWJAAT-ZYHUDNBSSA-N -1 0 347.802 3.605 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)N(Cc2ccccc2F)C2CCCCC2)C1 ZINC001594795401 953713037 /nfs/dbraw/zinc/71/30/37/953713037.db2.gz PJKGQPUHHHXJEA-SHTZXODSSA-N -1 0 348.418 3.533 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1CNC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001589310045 953780636 /nfs/dbraw/zinc/78/06/36/953780636.db2.gz CASRSMNFDDHDAX-KYJSFNMBSA-N -1 0 347.455 3.588 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000619963937 953790696 /nfs/dbraw/zinc/79/06/96/953790696.db2.gz FFXGNEQQJLPERH-JTQLQIEISA-N -1 0 342.233 3.517 20 0 EHADRM CC[C@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)c1cc(C)ccc1C ZINC000626778551 953820573 /nfs/dbraw/zinc/82/05/73/953820573.db2.gz QKAGKEUMJVIKQR-VYDXJSESSA-N -1 0 332.444 3.507 20 0 EHADRM CC[C@H](C)Sc1ccc(NC(=O)c2cc(C(=O)[O-])nn2C)c(C)c1 ZINC000630114185 953837408 /nfs/dbraw/zinc/83/74/08/953837408.db2.gz ZSHONPBVAPPMMP-NSHDSACASA-N -1 0 347.440 3.570 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1)CC(=O)[O-] ZINC000630200701 953846497 /nfs/dbraw/zinc/84/64/97/953846497.db2.gz MJCPNIQOTIROGA-XKQJLSEDSA-N -1 0 335.419 3.573 20 0 EHADRM C[C@@H](NC(=O)N[C@@H](C)[C@@H]1CCC[C@@H](C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589319975 953851834 /nfs/dbraw/zinc/85/18/34/953851834.db2.gz SHCNCILWSNUHBV-GTDBDLECSA-N -1 0 338.492 3.636 20 0 EHADRM O=C([O-])c1cccnc1NC(=O)c1ccc(CCC(F)(F)F)cc1 ZINC001594820739 953897040 /nfs/dbraw/zinc/89/70/40/953897040.db2.gz NZNVCKWPMSSBME-UHFFFAOYSA-N -1 0 338.285 3.527 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000643425305 953901899 /nfs/dbraw/zinc/90/18/99/953901899.db2.gz GTJNXENFBKOMAO-OLZOCXBDSA-N -1 0 348.443 3.567 20 0 EHADRM C[C@H]1CCCN(C(=O)CCc2ccc(Cl)c(Cl)c2)[C@H]1C(=O)[O-] ZINC001589326074 953913039 /nfs/dbraw/zinc/91/30/39/953913039.db2.gz PSQZSWKQDSIPMN-ZUZCIYMTSA-N -1 0 344.238 3.638 20 0 EHADRM C[C@H](C(=O)N1CCC[C@H](C)[C@H]1C(=O)[O-])c1ccccc1C(F)(F)F ZINC000643865964 953913281 /nfs/dbraw/zinc/91/32/81/953913281.db2.gz LIHINWNMLVDCIB-MJVIPROJSA-N -1 0 343.345 3.521 20 0 EHADRM C[C@H]1CCCN(C(=O)Nc2cncc(C(=O)[O-])c2)c2ccccc21 ZINC001589326184 953913693 /nfs/dbraw/zinc/91/36/93/953913693.db2.gz ZMGWXSZBURCWQA-LBPRGKRZSA-N -1 0 325.368 3.716 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)CC1 ZINC000646156186 953937825 /nfs/dbraw/zinc/93/78/25/953937825.db2.gz RQAPJKJDDWTMCS-DLBZAZTESA-N -1 0 344.455 3.609 20 0 EHADRM C[C@H]1CCc2c(sc3ncnc(N4CCC(C)(C(=O)[O-])CC4)c32)C1 ZINC000647458061 953959966 /nfs/dbraw/zinc/95/99/66/953959966.db2.gz PNJLNSMLBLPXLQ-NSHDSACASA-N -1 0 345.468 3.507 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)Nc2cc(Cl)cc3cccnc32)CC1 ZINC000647691746 953963792 /nfs/dbraw/zinc/96/37/92/953963792.db2.gz MKZBGIRZHFTPLT-UHFFFAOYSA-N -1 0 347.802 3.607 20 0 EHADRM C[C@@H]1CCN(C(=O)/C=C\c2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)[O-] ZINC001589337170 954003177 /nfs/dbraw/zinc/00/31/77/954003177.db2.gz JXKQFMUTYXNWKE-PTRZUZADSA-N -1 0 329.440 3.567 20 0 EHADRM O=C([O-])[C@@H](C(=O)Oc1cccc(-c2ccncc2)c1)C1CCCC1 ZINC001594838874 954059103 /nfs/dbraw/zinc/05/91/03/954059103.db2.gz CPZAKQAZRKIKCC-KRWDZBQOSA-N -1 0 325.364 3.545 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@H]1CC[C@H](C2CCC2)CC1)c1ccc(F)cc1 ZINC001594843261 954101363 /nfs/dbraw/zinc/10/13/63/954101363.db2.gz OEJWHSRYYRTPJS-FRFSOERESA-N -1 0 333.403 3.674 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653328874 954158123 /nfs/dbraw/zinc/15/81/23/954158123.db2.gz OICFQNDTDQXQKH-QKPAOTATSA-N -1 0 341.432 3.589 20 0 EHADRM Cc1cccc(CC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c1Cl ZINC000653328804 954158310 /nfs/dbraw/zinc/15/83/10/954158310.db2.gz NGMXTMFYEJOUAM-JKSUJKDBSA-N -1 0 343.810 3.620 20 0 EHADRM C[C@H]1CCc2c(sc(NC(=O)[C@@H]3CC3(Cl)Cl)c2C(=O)[O-])C1 ZINC001589362012 954159418 /nfs/dbraw/zinc/15/94/18/954159418.db2.gz MAKGFQJUAWZSDU-XPUUQOCRSA-N -1 0 348.251 3.703 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653330192 954160280 /nfs/dbraw/zinc/16/02/80/954160280.db2.gz BJKWPPHMOGZMQG-LZQZEXGQSA-N -1 0 337.419 3.685 20 0 EHADRM O=C(CCSc1ccccc1)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000653333088 954163845 /nfs/dbraw/zinc/16/38/45/954163845.db2.gz KVUISNRFOZXLDH-IRXDYDNUSA-N -1 0 341.432 3.598 20 0 EHADRM C[C@]1(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)CCc2ccccc2C1 ZINC000653332885 954163949 /nfs/dbraw/zinc/16/39/49/954163949.db2.gz JOTCXKSQXSCVRZ-JQVVWYNYSA-N -1 0 349.430 3.611 20 0 EHADRM CC(C)(C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1cccc(F)c1 ZINC000653335154 954167380 /nfs/dbraw/zinc/16/73/80/954167380.db2.gz MXPSGCIBWMFCQZ-IAGOWNOFSA-N -1 0 341.382 3.533 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)C(=O)C[C@H](C)c1ccccc1C(F)(F)F ZINC000653341810 954175485 /nfs/dbraw/zinc/17/54/85/954175485.db2.gz MOYBODMARNVUPL-GXFFZTMASA-N -1 0 331.334 3.521 20 0 EHADRM Cc1cc(Sc2ncccn2)ccc1NC(=O)CCCCC(=O)[O-] ZINC000655549991 954199593 /nfs/dbraw/zinc/19/95/93/954199593.db2.gz GGXOVELCOSSLEZ-UHFFFAOYSA-N -1 0 345.424 3.520 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655581166 954221757 /nfs/dbraw/zinc/22/17/57/954221757.db2.gz IWESYMADYAWDQW-IEECTRCBSA-N -1 0 349.393 3.607 20 0 EHADRM CC(C)[C@@H](CNC(=O)N[C@H](C)c1cccc2ccccc21)C(=O)[O-] ZINC000655859400 954241843 /nfs/dbraw/zinc/24/18/43/954241843.db2.gz KDDZDEPHEIKILD-CXAGYDPISA-N -1 0 328.412 3.557 20 0 EHADRM C[C@@H](NC(=O)N[C@@H](C)[C@H](C)c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655868737 954255643 /nfs/dbraw/zinc/25/56/43/954255643.db2.gz GRYHYSGRDBMFAG-GFISCPRKSA-N -1 0 346.471 3.613 20 0 EHADRM C[C@@H](CNC(=O)N[C@@H](C)c1ccc(-c2ccc(F)cc2)cc1)C(=O)[O-] ZINC000655873600 954260491 /nfs/dbraw/zinc/26/04/91/954260491.db2.gz ILYJYPXWXIZVHY-STQMWFEESA-N -1 0 344.386 3.574 20 0 EHADRM CC(C)[C@@H](CNC(=O)Nc1cccc2c1ccn2C(F)F)C(=O)[O-] ZINC000656605518 954304273 /nfs/dbraw/zinc/30/42/73/954304273.db2.gz UPIRPXDYKAINRG-LLVKDONJSA-N -1 0 339.342 3.515 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)C=CCCC3)C[C@H]1C(=O)[O-] ZINC000656605308 954304405 /nfs/dbraw/zinc/30/44/05/954304405.db2.gz RUCGCRUBHGUTEZ-CXAGYDPISA-N -1 0 328.412 3.611 20 0 EHADRM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)NCC2(C(=O)[O-])CCC2)cc1 ZINC000659420368 954344526 /nfs/dbraw/zinc/34/45/26/954344526.db2.gz NFGSMXQNSTWQDC-IAGOWNOFSA-N -1 0 344.455 3.527 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000659752245 954351918 /nfs/dbraw/zinc/35/19/18/954351918.db2.gz CRFZKVAUCZXWQO-SFHVURJKSA-N -1 0 341.407 3.667 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2ncc(-c3ccccc3)s2)CC=CCC1 ZINC001594871804 954361789 /nfs/dbraw/zinc/36/17/89/954361789.db2.gz GYLHGSLNEOGAME-KRWDZBQOSA-N -1 0 328.393 3.560 20 0 EHADRM Cc1oc(CNC(=O)Nc2ccc(Cl)cc2Cl)cc1C(=O)[O-] ZINC000385771872 972013016 /nfs/dbraw/zinc/01/30/16/972013016.db2.gz JTJOODBTGTVDTC-UHFFFAOYSA-N -1 0 343.166 3.915 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)CC=CC1 ZINC000663092179 954473166 /nfs/dbraw/zinc/47/31/66/954473166.db2.gz MVMJXKRPSUMJAW-UHFFFAOYSA-N -1 0 333.359 3.507 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000663147108 954532689 /nfs/dbraw/zinc/53/26/89/954532689.db2.gz IYIRNFUJVJXLOX-SNVBAGLBSA-N -1 0 339.697 3.534 20 0 EHADRM COc1cc(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)c(C)cc1C ZINC000663354628 954540176 /nfs/dbraw/zinc/54/01/76/954540176.db2.gz VTHJJTBUKNRGSK-AWEZNQCLSA-N -1 0 336.432 3.571 20 0 EHADRM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001602992582 972022966 /nfs/dbraw/zinc/02/29/66/972022966.db2.gz KPRPPEMQBASORC-ZPUOCTKUSA-N -1 0 345.370 3.514 20 0 EHADRM CN(CCCCc1ccccc1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000666566110 954561999 /nfs/dbraw/zinc/56/19/99/954561999.db2.gz GIWFATBEMSXBSB-UHFFFAOYSA-N -1 0 340.423 3.549 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)Cc2ccc(Cl)s2)c2ccccc21 ZINC000669434069 954568678 /nfs/dbraw/zinc/56/86/78/954568678.db2.gz HVJGEEYTLDQRHH-LBPRGKRZSA-N -1 0 335.812 3.549 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)CCc1ccc(OC(F)F)cc1 ZINC000681680561 954598422 /nfs/dbraw/zinc/59/84/22/954598422.db2.gz NARLNTQUHWIGID-UHFFFAOYSA-N -1 0 335.306 3.558 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2C[C@@H](c3ccccc3)c3ccccc32)cn1 ZINC000683456444 954606731 /nfs/dbraw/zinc/60/67/31/954606731.db2.gz BQYJHFLDAXXAGZ-KRWDZBQOSA-N -1 0 344.370 3.572 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](Nc2ncccc2Br)c2ccccc21 ZINC001594903161 954651850 /nfs/dbraw/zinc/65/18/50/954651850.db2.gz SAHHHMDCYWSHJE-WCQYABFASA-N -1 0 333.185 3.569 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2cccc3ccccc32)C1 ZINC000324947073 1125463140 /nfs/dbraw/zinc/46/31/40/1125463140.db2.gz ZMAXZDVHKAMKCD-LJQANCHMSA-N -1 0 326.396 3.949 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)N1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC001589463438 954874282 /nfs/dbraw/zinc/87/42/82/954874282.db2.gz AQDUJSVYZSUGDH-AISVKJOZSA-N -1 0 345.439 3.589 20 0 EHADRM O=C([O-])[C@H]1CCNc2ccc(-c3ccc(Cn4ccnc4)cc3)cc21 ZINC001594940570 954882906 /nfs/dbraw/zinc/88/29/06/954882906.db2.gz JMFRUFNNJIKZIS-KRWDZBQOSA-N -1 0 333.391 3.582 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1cc(C)cc(Br)c1 ZINC001589477348 954961617 /nfs/dbraw/zinc/96/16/17/954961617.db2.gz DIMNUYCTIQKOCS-UHFFFAOYSA-N -1 0 328.206 3.587 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCC[C@@H]1/C=C\c1ccccc1)C(=O)[O-] ZINC001603008752 972057571 /nfs/dbraw/zinc/05/75/71/972057571.db2.gz DSAXIAHROWNMFT-QAZIKRLUSA-N -1 0 344.455 3.621 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1 ZINC000767085286 955317034 /nfs/dbraw/zinc/31/70/34/955317034.db2.gz FFTJQDVFVGYURG-GXMKHXEJSA-N -1 0 333.384 3.547 20 0 EHADRM CC(C)CN(Cc1ccccc1F)C(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC001603026061 972086526 /nfs/dbraw/zinc/08/65/26/972086526.db2.gz UJVAYZDMTQSJHJ-IBGZPJMESA-N -1 0 333.403 3.621 20 0 EHADRM C/C(=C/C(=O)N([C@@H](C)C(=O)[O-])C1CC1)c1ccccc1C(F)(F)F ZINC000776619465 955329960 /nfs/dbraw/zinc/32/99/60/955329960.db2.gz REZNXDSUSGWNAB-JUDLJHIGSA-N -1 0 341.329 3.573 20 0 EHADRM CC(C)C[C@@H](NC(=O)CCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC001603036256 972095966 /nfs/dbraw/zinc/09/59/66/972095966.db2.gz AZKSCUNTWRVRBM-CYBMUJFWSA-N -1 0 332.227 3.542 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@@H](C)CCc1ccccc1F)CC(=O)[O-] ZINC001603042517 972106875 /nfs/dbraw/zinc/10/68/75/972106875.db2.gz RPBLNOYJNRSEBK-GJZGRUSLSA-N -1 0 337.435 3.648 20 0 EHADRM C[C@@H](CNC(=O)[C@@]1(C(=O)[O-])CC1(C)C)c1c(Cl)cccc1Cl ZINC001589042989 955595697 /nfs/dbraw/zinc/59/56/97/955595697.db2.gz CZFRQWCEIHRQDA-XXFAHNHDSA-N -1 0 344.238 3.714 20 0 EHADRM C[C@@](CNC(=O)/C=C\C1CCCCCC1)(C(=O)[O-])c1ccccc1 ZINC001589045125 955622616 /nfs/dbraw/zinc/62/26/16/955622616.db2.gz WAEIPRQSNKRFTC-ODLZTCLXSA-N -1 0 329.440 3.672 20 0 EHADRM O=C([O-])CC1(C(=O)NCCc2cccc(-c3ccccc3)c2)CCC1 ZINC000843338280 955645503 /nfs/dbraw/zinc/64/55/03/955645503.db2.gz FKKSJAJVHNACLM-UHFFFAOYSA-N -1 0 337.419 3.657 20 0 EHADRM C[C@@H](CNC(=O)c1cccc(C(=O)[O-])c1)c1nc2ccccc2s1 ZINC001589063488 955733752 /nfs/dbraw/zinc/73/37/52/955733752.db2.gz YYSJYTSGBLWZQD-NSHDSACASA-N -1 0 340.404 3.528 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)c2cccc(SC(F)(F)F)c2)CC1 ZINC000851600295 955784614 /nfs/dbraw/zinc/78/46/14/955784614.db2.gz GOXQNNWAQDBVLQ-UHFFFAOYSA-N -1 0 347.358 3.625 20 0 EHADRM CC(F)(F)c1cc(F)ccc1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC001589084515 955892189 /nfs/dbraw/zinc/89/21/89/955892189.db2.gz DWNTWUYOZNMFCZ-UHFFFAOYSA-N -1 0 344.333 3.702 20 0 EHADRM COc1ccc([C@H](NC(=O)/C=C/c2ccc(C(=O)[O-])o2)C(C)C)cc1 ZINC000864101160 955931333 /nfs/dbraw/zinc/93/13/33/955931333.db2.gz LWDJKUKTFSMMGE-SXAWMYDMSA-N -1 0 343.379 3.513 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2c(F)cccc2Cl)CCCCC1 ZINC000387847958 972143586 /nfs/dbraw/zinc/14/35/86/972143586.db2.gz FTAOBFRATISOQB-UHFFFAOYSA-N -1 0 328.771 3.636 20 0 EHADRM CCCOc1ccc(NC(=O)N2CCC(C)(C(=O)[O-])CC2)cc1C ZINC000864605105 956006537 /nfs/dbraw/zinc/00/65/37/956006537.db2.gz OPLQTWAETGEABY-UHFFFAOYSA-N -1 0 334.416 3.502 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1sccc1C(F)F ZINC000872712650 956059550 /nfs/dbraw/zinc/05/95/50/956059550.db2.gz WGLAEDZBVOAVIZ-GFCCVEGCSA-N -1 0 337.347 3.510 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Nc1ccnn1C1CCCCC1 ZINC000899311667 956281852 /nfs/dbraw/zinc/28/18/52/956281852.db2.gz RKWKHLYQDRRTEQ-CQSZACIVSA-N -1 0 348.447 3.640 20 0 EHADRM COC[C@@H](C)Oc1ccc(CNc2cccc(CCC(=O)[O-])c2)cc1 ZINC000901554985 956340022 /nfs/dbraw/zinc/34/00/22/956340022.db2.gz KDVRYYQAYKIBLB-OAHLLOKOSA-N -1 0 343.423 3.730 20 0 EHADRM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)NC1(C(=O)[O-])CCCCC1 ZINC001589167756 956436228 /nfs/dbraw/zinc/43/62/28/956436228.db2.gz XGTQAVVZDOPABJ-AWEZNQCLSA-N -1 0 347.455 3.655 20 0 EHADRM CC(C)[C@@H](NC(=O)c1ccc(O[C@H](C)c2ccccc2)cc1)C(=O)[O-] ZINC001589168108 956439971 /nfs/dbraw/zinc/43/99/71/956439971.db2.gz WIEHOUKMJWCKSN-RDTXWAMCSA-N -1 0 341.407 3.666 20 0 EHADRM C[C@@H](c1ccc2ccccc2c1)N(C(=O)c1cc(C(=O)[O-])n[nH]1)C1CC1 ZINC001589175180 956492094 /nfs/dbraw/zinc/49/20/94/956492094.db2.gz RCRQESLMHJGWIP-LBPRGKRZSA-N -1 0 349.390 3.627 20 0 EHADRM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2coc(/C=C/C(=O)[O-])c2)s1 ZINC000901922404 956544604 /nfs/dbraw/zinc/54/46/04/956544604.db2.gz MTVWVRAXFWFWIC-XUIVZRPNSA-N -1 0 348.424 3.538 20 0 EHADRM CSCCCCCCC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000902029128 956618877 /nfs/dbraw/zinc/61/88/77/956618877.db2.gz DCPHKCFCUNTTLC-HZSPNIEDSA-N -1 0 329.506 3.552 20 0 EHADRM O=C(/C=C\c1ccc(C(=O)[O-])o1)NCCc1cc2ccccc2s1 ZINC001594673001 956633201 /nfs/dbraw/zinc/63/32/01/956633201.db2.gz UJEMKXZJZDAJSD-VURMDHGXSA-N -1 0 341.388 3.565 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)Nc2cccc(OC(F)(F)F)c2)o1 ZINC001594673824 956640288 /nfs/dbraw/zinc/64/02/88/956640288.db2.gz LRCRZYWDIKIYOE-ALCCZGGFSA-N -1 0 341.241 3.528 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(c2oc(-c3ccccc3)nc2C(F)(F)F)C1 ZINC001589203243 956646515 /nfs/dbraw/zinc/64/65/15/956646515.db2.gz KDYWDJNJBPYXSI-OAHLLOKOSA-N -1 0 340.301 3.661 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N[C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC001589205279 956660551 /nfs/dbraw/zinc/66/05/51/956660551.db2.gz TZKDZONAYJZDRK-ZFWWWQNUSA-N -1 0 347.430 3.715 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CC(C1CCC1)C1CCC1)c1ccc(F)cc1 ZINC001594675925 956663058 /nfs/dbraw/zinc/66/30/58/956663058.db2.gz NLTIOTNFGRJXHT-SFHVURJKSA-N -1 0 333.403 3.674 20 0 EHADRM O=C([O-])C1(NC(=O)C[C@H]2CCC[C@H](C(F)(F)F)C2)CCCCC1 ZINC001594677642 956671590 /nfs/dbraw/zinc/67/15/90/956671590.db2.gz SWHFTIJFELOZEA-RYUDHWBXSA-N -1 0 335.366 3.649 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1Cc2ccccc2-c2ccccc2C1 ZINC001589213675 956717905 /nfs/dbraw/zinc/71/79/05/956717905.db2.gz UXXVXRHPHZMMCN-NRFANRHFSA-N -1 0 335.403 3.697 20 0 EHADRM CC1(C)CC(C)(C)c2cc(NC(=O)N3CCC[C@@H]3C(=O)[O-])ccc21 ZINC001589214536 956727442 /nfs/dbraw/zinc/72/74/42/956727442.db2.gz YCQLEPIPXVFPIK-OAHLLOKOSA-N -1 0 330.428 3.726 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)CCc1cncc2ccccc21 ZINC001594690314 956746683 /nfs/dbraw/zinc/74/66/83/956746683.db2.gz KLNHAIOJWNEXPG-UHFFFAOYSA-N -1 0 326.377 3.566 20 0 EHADRM CC1(C)CC[C@H](NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)[C@@H](c2ccccc2)C1 ZINC001589224708 956784293 /nfs/dbraw/zinc/78/42/93/956784293.db2.gz NYLPLLABJGKAKN-TWMKSMIVSA-N -1 0 344.455 3.511 20 0 EHADRM CC(C)OC(=O)NCc1ccc(NCc2ccc(C(=O)[O-])s2)cc1 ZINC000903675042 956855084 /nfs/dbraw/zinc/85/50/84/956855084.db2.gz XGVHIHICABJRBZ-UHFFFAOYSA-N -1 0 348.424 3.693 20 0 EHADRM COc1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000006935298 956877659 /nfs/dbraw/zinc/87/76/59/956877659.db2.gz PQIDMGFWASALNJ-UHFFFAOYSA-N -1 0 339.269 3.665 20 0 EHADRM O=C([O-])c1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1 ZINC000007112576 956877697 /nfs/dbraw/zinc/87/76/97/956877697.db2.gz NRZQFXFTAIBDJC-SFHVURJKSA-N -1 0 348.358 3.745 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)COc1cccc2ccccc21 ZINC000008907347 956888360 /nfs/dbraw/zinc/88/83/60/956888360.db2.gz BPVLLLHPQBWTDN-UHFFFAOYSA-N -1 0 335.359 3.864 20 0 EHADRM Cc1ccc(NC(=O)COc2ccc(C)cc2C(=O)[O-])c(Cl)c1 ZINC000013085642 956937898 /nfs/dbraw/zinc/93/78/98/956937898.db2.gz LHEKQXWDJGTGOT-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM O=C([O-])c1cc(Br)ccc1NC(=O)/C=C/c1ccccc1 ZINC000013177574 956957308 /nfs/dbraw/zinc/95/73/08/956957308.db2.gz XOPYHNMQRXOKKL-RMKNXTFCSA-N -1 0 346.180 3.799 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cc1cccc2ccccc21 ZINC000013225130 956983285 /nfs/dbraw/zinc/98/32/85/956983285.db2.gz IOCZXTICOSAULA-WDSOQIARSA-N -1 0 337.419 3.627 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000013255919 956993306 /nfs/dbraw/zinc/99/33/06/956993306.db2.gz FEQHVIALSGQMFK-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(-n3cccc3)cc2)cc1 ZINC000013258140 956995193 /nfs/dbraw/zinc/99/51/93/956995193.db2.gz FWFNDICASBVEOO-IBGZPJMESA-N -1 0 348.402 3.732 20 0 EHADRM Cc1cc(NC(=O)CCC[C@@H](O)c2ccccc2)ccc1C(=O)[O-] ZINC000909223309 957009418 /nfs/dbraw/zinc/00/94/18/957009418.db2.gz RTVGEAPBLPUFIT-QGZVFWFLSA-N -1 0 327.380 3.536 20 0 EHADRM Cc1ccc(C(C)C)c(OS(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1 ZINC000013305925 957012098 /nfs/dbraw/zinc/01/20/98/957012098.db2.gz DPOAFEACNIAPJQ-UHFFFAOYSA-N -1 0 348.420 3.893 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000013388786 957040868 /nfs/dbraw/zinc/04/08/68/957040868.db2.gz ZINBEUNCWLVLSA-CQSZACIVSA-N -1 0 331.437 3.991 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)Cc1ccccc1Cl ZINC000013390116 957042396 /nfs/dbraw/zinc/04/23/96/957042396.db2.gz NCONDNBJSHJXIK-UHFFFAOYSA-N -1 0 329.783 3.560 20 0 EHADRM Cc1ccc(SCC(=O)N2CCCc3c(C(=O)[O-])cccc32)cc1 ZINC000013390109 957042553 /nfs/dbraw/zinc/04/25/53/957042553.db2.gz QYFBKPFHKWSXEX-UHFFFAOYSA-N -1 0 341.432 3.765 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCc1ncc(-c2ccccc2)o1 ZINC000013420035 957063529 /nfs/dbraw/zinc/06/35/29/957063529.db2.gz ZHWQAIGKQZLYMW-UHFFFAOYSA-N -1 0 325.320 3.627 20 0 EHADRM COc1cc2ccccc2cc1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000013442896 957082484 /nfs/dbraw/zinc/08/24/84/957082484.db2.gz IRFATVDBRFLPCD-UHFFFAOYSA-N -1 0 349.386 3.519 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cc(Cl)c(Cl)n1C ZINC000037420906 957283420 /nfs/dbraw/zinc/28/34/20/957283420.db2.gz ITXXLHCIUXRADT-UHFFFAOYSA-N -1 0 327.167 3.591 20 0 EHADRM COc1cccc(N[C@H](C(=O)[O-])c2cccc(Br)c2)c1 ZINC000037961152 957339849 /nfs/dbraw/zinc/33/98/49/957339849.db2.gz AQRXDXPYJHOIBB-AWEZNQCLSA-N -1 0 336.185 3.696 20 0 EHADRM O=C(CSCc1cccs1)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC000390163864 972267343 /nfs/dbraw/zinc/26/73/43/972267343.db2.gz ATMCLUSKTAFVIR-AWEZNQCLSA-N -1 0 341.498 3.521 20 0 EHADRM CCC(CC)N(CC(C)C)S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000390227134 972270697 /nfs/dbraw/zinc/27/06/97/972270697.db2.gz GCFPKSIBGJAODP-UHFFFAOYSA-N -1 0 341.473 3.529 20 0 EHADRM O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)/C=C\c1ccco1 ZINC000390329707 972276173 /nfs/dbraw/zinc/27/61/73/972276173.db2.gz JZCRSUUISOUVBU-XQRVVYSFSA-N -1 0 325.242 3.649 20 0 EHADRM O=C([O-])c1cc(Br)ccc1OC(=O)/C=C/c1ccccc1 ZINC000066145306 957643805 /nfs/dbraw/zinc/64/38/05/957643805.db2.gz MHDNYPLGMSHIPK-RMKNXTFCSA-N -1 0 347.164 3.766 20 0 EHADRM Cc1cc(Br)cc(NC[C@](C)(C(=O)[O-])c2ccccc2)n1 ZINC001594271687 957680830 /nfs/dbraw/zinc/68/08/30/957680830.db2.gz KNRFNVYUGLWIDO-INIZCTEOSA-N -1 0 349.228 3.607 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NCc2ccsc2C(F)(F)F)c1 ZINC001594285073 957771058 /nfs/dbraw/zinc/77/10/58/957771058.db2.gz GJUDSXMYAZCWLY-UHFFFAOYSA-N -1 0 343.326 3.704 20 0 EHADRM Cc1cc(C(C)(C)C)ccc1OCCCC(=O)N[C@H](C(=O)[O-])C(C)C ZINC001594289844 957821844 /nfs/dbraw/zinc/82/18/44/957821844.db2.gz HAXHHYYRCJPFDY-SFHVURJKSA-N -1 0 349.471 3.677 20 0 EHADRM Cc1cc(C)c(NC(=O)C2(CC(=O)[O-])CCC2)cc1Br ZINC001594293986 957851517 /nfs/dbraw/zinc/85/15/17/957851517.db2.gz HKEWSWKRTBAOBT-UHFFFAOYSA-N -1 0 340.217 3.649 20 0 EHADRM Cc1cc(C)c(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)c(C)c1 ZINC001594294135 957855092 /nfs/dbraw/zinc/85/50/92/957855092.db2.gz SGYXRBCQORZKOI-INIZCTEOSA-N -1 0 334.460 3.548 20 0 EHADRM Cc1cc(C)cc(-c2cc(NC(=O)[C@H](C(=O)[O-])C3CCCC3)n[nH]2)c1 ZINC001594294628 957865987 /nfs/dbraw/zinc/86/59/87/957865987.db2.gz YOYWFLBWQZKACW-QGZVFWFLSA-N -1 0 341.411 3.523 20 0 EHADRM CCCc1nc(COc2cc(/C=C\C(=O)[O-])ccc2OC)cs1 ZINC000390719301 972300685 /nfs/dbraw/zinc/30/06/85/972300685.db2.gz LBABBAFHHZNFFU-VURMDHGXSA-N -1 0 333.409 3.781 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)NCc1ccccc1C(=O)[O-] ZINC001603199443 972302697 /nfs/dbraw/zinc/30/26/97/972302697.db2.gz COSHGAAYXNDQSM-GFCCVEGCSA-N -1 0 331.799 3.533 20 0 EHADRM Cc1cc(NC(=O)N2C[C@H](C)C[C@@H]2c2cccnc2)ccc1C(=O)[O-] ZINC001594318018 958090784 /nfs/dbraw/zinc/09/07/84/958090784.db2.gz FLJFFBVGHOAQHO-SJKOYZFVSA-N -1 0 339.395 3.703 20 0 EHADRM Cc1cc(NC(=O)NC[C@H]2CCC3(CCCCC3)O2)ccc1C(=O)[O-] ZINC001594319658 958113755 /nfs/dbraw/zinc/11/37/55/958113755.db2.gz LAHYIYQRAWKPKW-OAHLLOKOSA-N -1 0 346.427 3.697 20 0 EHADRM C[C@H](NC(=O)N1CCCC[C@@H]1CCC(=O)[O-])C1CCC(F)(F)CC1 ZINC001353125490 958139362 /nfs/dbraw/zinc/13/93/62/958139362.db2.gz FTNCGMQYZZGGIH-GXTWGEPZSA-N -1 0 346.418 3.629 20 0 EHADRM Cc1cc(NC(=O)Nc2cccc(C(C)(C)O)c2)ccc1C(=O)[O-] ZINC001594323877 958146096 /nfs/dbraw/zinc/14/60/96/958146096.db2.gz XNEIJCBPMOVXBA-UHFFFAOYSA-N -1 0 328.368 3.565 20 0 EHADRM CC(C)(NC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1cccs1 ZINC001353155696 958150497 /nfs/dbraw/zinc/15/04/97/958150497.db2.gz LTVYITUJHLJTAB-ZIAGYGMSSA-N -1 0 344.436 3.596 20 0 EHADRM CC(F)(F)c1ccc(C(=O)NC2(C(=O)[O-])CCCCCC2)cc1 ZINC001603211282 972326476 /nfs/dbraw/zinc/32/64/76/972326476.db2.gz XAESACRJLSKBBW-UHFFFAOYSA-N -1 0 325.355 3.706 20 0 EHADRM Cc1cc2ccccc2nc1C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001594332318 958238096 /nfs/dbraw/zinc/23/80/96/958238096.db2.gz RBNVQTHZOXICEA-WMZOPIPTSA-N -1 0 346.386 3.586 20 0 EHADRM Cc1cc2nc(NC(=O)c3cccc(C(=O)[O-])c3)sc2cc1F ZINC001594332304 958238182 /nfs/dbraw/zinc/23/81/82/958238182.db2.gz QKBSCFRXFIGUHK-UHFFFAOYSA-N -1 0 330.340 3.694 20 0 EHADRM Cc1cc2occ(Cc3nc(C4(C(=O)[O-])CCC4)no3)c2cc1C ZINC001594332805 958243458 /nfs/dbraw/zinc/24/34/58/958243458.db2.gz IXIZYHZBFVZEIN-UHFFFAOYSA-N -1 0 326.352 3.530 20 0 EHADRM Cc1ccc(-c2n[nH]cc2CNc2cccc(CCC(=O)[O-])c2)o1 ZINC001594336017 958267644 /nfs/dbraw/zinc/26/76/44/958267644.db2.gz SRULYMACAQMJSK-UHFFFAOYSA-N -1 0 325.368 3.607 20 0 EHADRM COc1ccc(C2(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])CCC2)cc1 ZINC001594084575 958303142 /nfs/dbraw/zinc/30/31/42/958303142.db2.gz ZVIGDJDSZADVJU-INIZCTEOSA-N -1 0 347.455 3.513 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC000391426287 972335716 /nfs/dbraw/zinc/33/57/16/972335716.db2.gz DTPZZFWXSMRALE-NOZJJQNGSA-N -1 0 335.787 3.720 20 0 EHADRM Cc1ccc(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1Cl ZINC001594346508 958322605 /nfs/dbraw/zinc/32/26/05/958322605.db2.gz VPWMLZJEWROICD-GDBMZVCRSA-N -1 0 329.783 3.691 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)c1 ZINC001594349359 958332954 /nfs/dbraw/zinc/33/29/54/958332954.db2.gz AXYRLYXKMZHBNA-BZUAXINKSA-N -1 0 347.455 3.597 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC001594349499 958335811 /nfs/dbraw/zinc/33/58/11/958335811.db2.gz JVOGWWWFKYOQDY-HDMKZQKVSA-N -1 0 347.455 3.597 20 0 EHADRM Cc1ccc(C)c(OCCCCC(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])c1 ZINC001594352388 958375722 /nfs/dbraw/zinc/37/57/22/958375722.db2.gz XIIVPBQLHBUVDO-QFBILLFUSA-N -1 0 347.455 3.564 20 0 EHADRM Cc1ccc(C)c2sc(NC(=O)[C@@]3(C(=O)[O-])CC=CCC3)nc21 ZINC001594353197 958378658 /nfs/dbraw/zinc/37/86/58/958378658.db2.gz KBMJKYFBVBQGLR-QGZVFWFLSA-N -1 0 330.409 3.663 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)C3(C(=O)[O-])CCCCC3)C2)cc1 ZINC001594353441 958383104 /nfs/dbraw/zinc/38/31/04/958383104.db2.gz BHIOERHQJJXYEN-DOTOQJQBSA-N -1 0 329.440 3.735 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)NC[C@H](CC(C)C)C(=O)[O-])C2)cc1 ZINC001594353475 958384720 /nfs/dbraw/zinc/38/47/20/958384720.db2.gz BUIVPJAVAZXQEU-BPQIPLTHSA-N -1 0 346.471 3.629 20 0 EHADRM Cc1ccc(CC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1Cl ZINC001594353962 958394450 /nfs/dbraw/zinc/39/44/50/958394450.db2.gz XUTMYWGXCOMVNI-RDJZCZTQSA-N -1 0 343.810 3.620 20 0 EHADRM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Nc2cc(C(=O)[O-])ccn2)o1 ZINC001594354043 958395607 /nfs/dbraw/zinc/39/56/07/958395607.db2.gz KTUJOHSZLXIBSB-SMDDNHRTSA-N -1 0 343.383 3.686 20 0 EHADRM Cc1ccc([C@@H]2CCN(C(=O)NC[C@H](C(=O)[O-])C(C)C)C2(C)C)cc1 ZINC001594354137 958396914 /nfs/dbraw/zinc/39/69/14/958396914.db2.gz PBQMQYOACZQYGJ-IRXDYDNUSA-N -1 0 346.471 3.629 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc(OCc3ccc(Cl)cc3)c2)CC1 ZINC000118972131 958467895 /nfs/dbraw/zinc/46/78/95/958467895.db2.gz AXJSCGYQCOOMCG-UHFFFAOYSA-N -1 0 345.782 3.722 20 0 EHADRM C[C@H](NC(=O)N[C@@H]1CCC[C@@H]1C(C)(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603227906 972351117 /nfs/dbraw/zinc/35/11/17/972351117.db2.gz MDFWAXCFOIYONK-BTFPBAQTSA-N -1 0 338.492 3.636 20 0 EHADRM Cc1ccc(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)c(Br)c1 ZINC001594369254 958528930 /nfs/dbraw/zinc/52/89/30/958528930.db2.gz CWBPQEHYMWWQPK-ZDUSSCGKSA-N -1 0 340.217 3.587 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(F)c2ccccc12)c1ccc(F)cc1 ZINC001605729620 972359080 /nfs/dbraw/zinc/35/90/80/972359080.db2.gz AIROKNROXMBHAJ-KRWDZBQOSA-N -1 0 341.313 3.674 20 0 EHADRM Cc1ccc(OCc2nnc(SCCC3(C(=O)[O-])CCC3)o2)cc1 ZINC001594376110 958591279 /nfs/dbraw/zinc/59/12/79/958591279.db2.gz YKKZMMJQMLTABY-UHFFFAOYSA-N -1 0 348.424 3.694 20 0 EHADRM Cc1ccc(SC2(CNC(=O)[C@H](C(=O)[O-])C3CC3)CCCC2)cc1 ZINC001594379078 958614730 /nfs/dbraw/zinc/61/47/30/958614730.db2.gz ZBUQZAUUJFDHAJ-MRXNPFEDSA-N -1 0 347.480 3.627 20 0 EHADRM Cc1sc(C(=O)N2CCCC[C@@H]2C(=O)[O-])cc1-c1ccc(F)cc1 ZINC000128627701 958672666 /nfs/dbraw/zinc/67/26/66/958672666.db2.gz UHQIEJZROCHKEP-OAHLLOKOSA-N -1 0 347.411 3.942 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)c1ccc(N2CCCCCC2)cc1 ZINC001573406214 958724744 /nfs/dbraw/zinc/72/47/44/958724744.db2.gz GLCUFQLUPMUXBX-UHFFFAOYSA-N -1 0 346.471 3.640 20 0 EHADRM O=C(N[C@@H](c1ccc(F)cc1)C1CCCCC1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605735364 972372816 /nfs/dbraw/zinc/37/28/16/972372816.db2.gz OOFCNQYEHFCERJ-HYVNUMGLSA-N -1 0 348.418 3.610 20 0 EHADRM Cc1cccc([C@H](NCc2ccc(-c3ncco3)cc2F)C(=O)[O-])c1 ZINC001594397880 958788677 /nfs/dbraw/zinc/78/86/77/958788677.db2.gz NVGUFPOQRYFKKA-KRWDZBQOSA-N -1 0 340.354 3.705 20 0 EHADRM O=C([O-])c1c(NC(=O)Cc2ccc3c(c2)CCC3)sc2c1CCC2 ZINC000391868613 972385158 /nfs/dbraw/zinc/38/51/58/972385158.db2.gz YQRDRHGBBOYKQM-UHFFFAOYSA-N -1 0 341.432 3.605 20 0 EHADRM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC001594410988 958950059 /nfs/dbraw/zinc/95/00/59/958950059.db2.gz IMKSMJWSOODAQS-KLHDSHLOSA-N -1 0 329.440 3.688 20 0 EHADRM Cc1cccc2oc(C(=O)N[C@@H](C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)cc21 ZINC001594413264 958965842 /nfs/dbraw/zinc/96/58/42/958965842.db2.gz BOMWUGNVCZSZHR-FPMFFAJLSA-N -1 0 329.396 3.606 20 0 EHADRM Cc1cccc2nc(CN3C[C@H](CCC(=O)[O-])Cc4ccccc43)cn21 ZINC001594413373 958967152 /nfs/dbraw/zinc/96/71/52/958967152.db2.gz LCBARCQRUHUUTN-MRXNPFEDSA-N -1 0 349.434 3.686 20 0 EHADRM C[C@H](C(=O)N1CCCc2cc(C(=O)[O-])ccc21)c1cccc(F)c1 ZINC001588551027 959017135 /nfs/dbraw/zinc/01/71/35/959017135.db2.gz NETAABVVNBNXPP-LBPRGKRZSA-N -1 0 327.355 3.607 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1cc2c(ccc3ccccc23)o1)C(=O)[O-] ZINC001573497812 959035096 /nfs/dbraw/zinc/03/50/96/959035096.db2.gz AMCSMWQDDAUPFL-OAHLLOKOSA-N -1 0 325.364 3.673 20 0 EHADRM CC(C)[C@H](SCc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001573500840 959060785 /nfs/dbraw/zinc/06/07/85/959060785.db2.gz VMVYCKVOVWEQGN-INIZCTEOSA-N -1 0 344.436 3.676 20 0 EHADRM CC(C)[C@H]1CCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)C1 ZINC001573501151 959062969 /nfs/dbraw/zinc/06/29/69/959062969.db2.gz FSADHDHLGBMIDY-VIFPVBQESA-N -1 0 328.771 3.687 20 0 EHADRM CC(C)C[C@H](NC(=O)/C=C\c1ccc(F)c2ccccc12)C(=O)[O-] ZINC001573536640 959172079 /nfs/dbraw/zinc/17/20/79/959172079.db2.gz BWZKLLGOGQGNPJ-PXAMLJHWSA-N -1 0 329.371 3.608 20 0 EHADRM Cc1ccc(CCC(=O)NCCc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000392127863 972412291 /nfs/dbraw/zinc/41/22/91/972412291.db2.gz CZAJSYJJADHBSZ-UHFFFAOYSA-N -1 0 345.826 3.638 20 0 EHADRM CC(C)Oc1ccc(CCNC(=O)C2(C(=O)[O-])CCCCCC2)cc1 ZINC001573555031 959253914 /nfs/dbraw/zinc/25/39/14/959253914.db2.gz VCRQTQYTVXGEHD-UHFFFAOYSA-N -1 0 347.455 3.558 20 0 EHADRM C[C@@H](OC(=O)C1(C(=O)[O-])CCCCCC1)c1ccc2c(c1)CCO2 ZINC001594211525 959293103 /nfs/dbraw/zinc/29/31/03/959293103.db2.gz LVKGLHZSDQQIOA-CYBMUJFWSA-N -1 0 332.396 3.651 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)c1ccncc1 ZINC001573574890 959319392 /nfs/dbraw/zinc/31/93/92/959319392.db2.gz AHQXJKRXBXGIPB-SECBINFHSA-N -1 0 336.750 3.705 20 0 EHADRM C[C@@H](CC(=O)N[C@H](C(=O)[O-])c1ccccc1)c1c[nH]c2ccccc21 ZINC001573574936 959319739 /nfs/dbraw/zinc/31/97/39/959319739.db2.gz AYFZNSFFLIPYNK-DJJJIMSYSA-N -1 0 336.391 3.604 20 0 EHADRM O=C([O-])c1ccc(OCc2cncc(Br)c2)c(Cl)c1 ZINC000166763898 959320850 /nfs/dbraw/zinc/32/08/50/959320850.db2.gz PFSHEJASVZZSBB-UHFFFAOYSA-N -1 0 342.576 3.775 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)c1cc(Cl)c(F)cc1Cl ZINC001594215853 959328460 /nfs/dbraw/zinc/32/84/60/959328460.db2.gz XPOZMHIOPXYKFB-JMCQJSRRSA-N -1 0 334.174 3.600 20 0 EHADRM Cc1nc(CCN2C[C@H](CCC(=O)[O-])Cc3ccccc32)cs1 ZINC001594452387 959387464 /nfs/dbraw/zinc/38/74/64/959387464.db2.gz GIMLQWXWKNAPHZ-CQSZACIVSA-N -1 0 330.453 3.538 20 0 EHADRM CCc1ccc([C@H]2CCCCCN2C(=O)c2cc(C(=O)[O-])co2)o1 ZINC000183796305 959448956 /nfs/dbraw/zinc/44/89/56/959448956.db2.gz WAIXUPYTYXNDPJ-CQSZACIVSA-N -1 0 331.368 3.891 20 0 EHADRM C[C@H](NC(=O)[C@H](C(=O)[O-])C1CCCC1)c1ccc2c(c1)CCCC2 ZINC001594232899 959481987 /nfs/dbraw/zinc/48/19/87/959481987.db2.gz BMBXHQIUMJXMCP-SCLBCKFNSA-N -1 0 329.440 3.634 20 0 EHADRM Cc1csc2nc(C)c(CN3CC[C@H](C(=O)[O-])c4ccccc43)n12 ZINC001594467744 959515138 /nfs/dbraw/zinc/51/51/38/959515138.db2.gz HCLWZNVPRIFEDX-AWEZNQCLSA-N -1 0 341.436 3.591 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1cc(Cl)ccc1Cl ZINC001594238359 959518388 /nfs/dbraw/zinc/51/83/88/959518388.db2.gz XLJCJFDWMVATQG-LPEHRKFASA-N -1 0 330.211 3.672 20 0 EHADRM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1cccc(-c2ccoc2)c1 ZINC000190731995 959520962 /nfs/dbraw/zinc/52/09/62/959520962.db2.gz RTZWEBTVZKTHTQ-LJQANCHMSA-N -1 0 347.370 3.598 20 0 EHADRM CC[C@H](C)n1ncc(C(=O)Nc2cccc(C(=O)[O-])c2)c1C1CC1 ZINC000190875573 959525960 /nfs/dbraw/zinc/52/59/60/959525960.db2.gz TUFGOWYNEYCVKR-NSHDSACASA-N -1 0 327.384 3.682 20 0 EHADRM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000191014339 959535812 /nfs/dbraw/zinc/53/58/12/959535812.db2.gz XWLPQJIXUPVRRY-QMMMGPOBSA-N -1 0 336.775 3.775 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)CCc2ccc3[nH]ccc3c2)c1 ZINC000191055898 959538241 /nfs/dbraw/zinc/53/82/41/959538241.db2.gz VZDHZVKREPHGBM-UHFFFAOYSA-N -1 0 326.327 3.577 20 0 EHADRM Cc1nc(C(=O)Nc2cc(C(=O)[O-])ccc2F)c(-c2ccccc2)o1 ZINC000191061730 959538957 /nfs/dbraw/zinc/53/89/57/959538957.db2.gz SKLCLGLNIIFGEL-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM C[C@H](OC(=O)[C@H](C(=O)[O-])C(C)(C)C)c1cccc(OC(F)F)c1 ZINC001594242236 959540193 /nfs/dbraw/zinc/54/01/93/959540193.db2.gz DVDIAWBWEXMUNY-CABZTGNLSA-N -1 0 330.327 3.639 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1F ZINC000392280596 972437522 /nfs/dbraw/zinc/43/75/22/972437522.db2.gz RBVUYMOFVIASJQ-UHFFFAOYSA-N -1 0 345.223 3.934 20 0 EHADRM C[C@@H](CC(=O)NCCc1cccc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC000191175037 959543075 /nfs/dbraw/zinc/54/30/75/959543075.db2.gz KHNOFAWCRHZBMB-LBPRGKRZSA-N -1 0 347.361 3.516 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2scnc2C(C)(C)C)cc1)C(=O)[O-] ZINC000191404563 959561105 /nfs/dbraw/zinc/56/11/05/959561105.db2.gz RPTOEVWUCXPZDE-LLVKDONJSA-N -1 0 346.452 3.956 20 0 EHADRM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000191448053 959569873 /nfs/dbraw/zinc/56/98/73/959569873.db2.gz LPAOGNSHQKLAQC-NWDGAFQWSA-N -1 0 344.411 3.687 20 0 EHADRM C[C@@H](CC(=O)NCC1(C(=O)[O-])CCCCC1)c1ccc(F)cc1F ZINC000191502682 959573526 /nfs/dbraw/zinc/57/35/26/959573526.db2.gz CLUVLGBZRRETEG-LBPRGKRZSA-N -1 0 339.382 3.610 20 0 EHADRM C[C@@H]1C[C@H](CN2C[C@@H](CCC(=O)[O-])Cc3ccccc32)C[C@H](C)O1 ZINC001594246748 959579412 /nfs/dbraw/zinc/57/94/12/959579412.db2.gz UTAFCPXBVZVOKD-VVLHAWIVSA-N -1 0 331.456 3.734 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccc(Oc3ccncc3)cc2)c1 ZINC000191579201 959583225 /nfs/dbraw/zinc/58/32/25/959583225.db2.gz BBZXJXNUZAHOFG-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM O=C([O-])c1coc(C(=O)Nc2ccc3nc(C4CC4)sc3c2)c1 ZINC000191578370 959584076 /nfs/dbraw/zinc/58/40/76/959584076.db2.gz GGPWZNMSLRLXKM-UHFFFAOYSA-N -1 0 328.349 3.717 20 0 EHADRM CC[C@@H](C(=O)Nc1ccc(C(=O)[O-])c(C)c1)c1ccc(OC)cc1 ZINC000192883880 959594475 /nfs/dbraw/zinc/59/44/75/959594475.db2.gz PIGRAGZNDGBNQP-MRXNPFEDSA-N -1 0 327.380 3.834 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)CCC(=O)c2cccs2)cc1)C(=O)[O-] ZINC000192917854 959596070 /nfs/dbraw/zinc/59/60/70/959596070.db2.gz DWAQFSINWUDZJC-GFCCVEGCSA-N -1 0 345.420 3.613 20 0 EHADRM COc1ccc2nc(C(=O)Nc3cc(C(=O)[O-])ccc3C)ccc2c1 ZINC000193242383 959617669 /nfs/dbraw/zinc/61/76/69/959617669.db2.gz VIQQSELTXLBORE-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM Cc1cc(C(=O)CCC(=O)Nc2cc(C(=O)[O-])ccc2C)c(C)s1 ZINC000195192936 959623468 /nfs/dbraw/zinc/62/34/68/959623468.db2.gz SHCLYNWTCGTTQH-UHFFFAOYSA-N -1 0 345.420 3.973 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC001588634274 959636749 /nfs/dbraw/zinc/63/67/49/959636749.db2.gz NSRBPSKLSXSYIQ-GVDBMIGSSA-N -1 0 325.408 3.559 20 0 EHADRM CC1(C)C2CCC1(C(=O)N[C@H]1C[C@@H](C(=O)[O-])c3ccccc31)CC2 ZINC001573655888 959671652 /nfs/dbraw/zinc/67/16/52/959671652.db2.gz MEIFPXFQFBFSOO-YIYUPRBXSA-N -1 0 327.424 3.632 20 0 EHADRM CC1(C)CCN(C(=O)C2(CC(=O)[O-])CCC2)C[C@H]1c1ccccc1 ZINC001573667508 959702798 /nfs/dbraw/zinc/70/27/98/959702798.db2.gz MWEVFTFCIWGEDJ-INIZCTEOSA-N -1 0 329.440 3.674 20 0 EHADRM Cc1c(Cl)cncc1NCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001594262739 959712689 /nfs/dbraw/zinc/71/26/89/959712689.db2.gz RSXFYBLZWTYSKT-GFCCVEGCSA-N -1 0 349.818 3.550 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)CC2(CSc3ccccc3)CC2)C1 ZINC001573700166 959824019 /nfs/dbraw/zinc/82/40/19/959824019.db2.gz WZODISYBFNHEHN-GJZGRUSLSA-N -1 0 347.480 3.518 20 0 EHADRM CN(Cc1cccs1)Cc1ccc(C(=O)[O-])cc1Br ZINC000226719782 959894993 /nfs/dbraw/zinc/89/49/93/959894993.db2.gz CYLJCGSFRRHZGB-UHFFFAOYSA-N -1 0 340.242 3.841 20 0 EHADRM Cc1cc(NC(=O)CCCCC(=O)[O-])cc(C)c1Br ZINC000232020839 960239558 /nfs/dbraw/zinc/23/95/58/960239558.db2.gz XHVDAZTYRSPHLA-UHFFFAOYSA-N -1 0 328.206 3.649 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC[C@@H]1CCC2(CCCC2)O1 ZINC000392514245 972492392 /nfs/dbraw/zinc/49/23/92/972492392.db2.gz FODHRADWBUUJHO-ZKKXHLJNSA-N -1 0 332.396 3.664 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)cc1 ZINC000392523091 972493715 /nfs/dbraw/zinc/49/37/15/972493715.db2.gz JOZDSGGMHQQQNF-JTQLQIEISA-N -1 0 334.322 3.854 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000392585482 972499101 /nfs/dbraw/zinc/49/91/01/972499101.db2.gz PCBONYAOEACWCU-UHFFFAOYSA-N -1 0 344.754 3.976 20 0 EHADRM C[C@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)C[C@H]1C(=O)[O-] ZINC001573725671 960403011 /nfs/dbraw/zinc/40/30/11/960403011.db2.gz GGXXOZSSVLVUIN-XJKSGUPXSA-N -1 0 349.858 3.721 20 0 EHADRM COc1cccc(C(F)F)c1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001574233664 960429178 /nfs/dbraw/zinc/42/91/78/960429178.db2.gz RQEBFYREHLDVAX-UHFFFAOYSA-N -1 0 339.269 3.722 20 0 EHADRM O=C([O-])c1coc(/C=C/C(=O)N2CCC(c3cccc(F)c3)CC2)c1 ZINC001123383493 960464000 /nfs/dbraw/zinc/46/40/00/960464000.db2.gz BEHGMAAPUAXLKR-SNAWJCMRSA-N -1 0 343.354 3.536 20 0 EHADRM O=C([O-])c1ccccc1CN1CCn2cccc2[C@H]1c1ccccc1 ZINC001140498040 960498011 /nfs/dbraw/zinc/49/80/11/960498011.db2.gz GDFYEVYUCXSGQP-HXUWFJFHSA-N -1 0 332.403 3.792 20 0 EHADRM CSc1cc(Cl)c(C(F)(F)F)cc1NC(=O)[C@@H](C)C(=O)[O-] ZINC001574257109 960538252 /nfs/dbraw/zinc/53/82/52/960538252.db2.gz IHLRZJRZLRYVJW-RXMQYKEDSA-N -1 0 341.738 3.740 20 0 EHADRM CSc1ccc([C@H](C)NC(=O)c2coc(/C=C\C(=O)[O-])c2)cc1 ZINC001574257371 960541737 /nfs/dbraw/zinc/54/17/37/960541737.db2.gz HTHXIKIEKQVVLI-OFSNVTPPSA-N -1 0 331.393 3.590 20 0 EHADRM CSc1cc(NC(=O)NC2(CC(=O)[O-])CCC2)ccc1Cl ZINC001574257635 960546502 /nfs/dbraw/zinc/54/65/02/960546502.db2.gz SLCUSGFVUAQMPM-UHFFFAOYSA-N -1 0 328.821 3.581 20 0 EHADRM C[C@H]1Cc2cc(Cl)ccc2N1C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001573757590 960569816 /nfs/dbraw/zinc/56/98/16/960569816.db2.gz IPOBWKNQGKOVAL-VAWSOJLPSA-N -1 0 331.755 3.622 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)NCc2ccc(F)cc2)c1Cl ZINC001605800515 972514336 /nfs/dbraw/zinc/51/43/36/972514336.db2.gz ZVCWMSHQHTWEHZ-UHFFFAOYSA-N -1 0 340.713 3.638 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000392729726 972515022 /nfs/dbraw/zinc/51/50/22/972515022.db2.gz YIGBUXHGMXZJEI-AWEZNQCLSA-N -1 0 348.443 3.829 20 0 EHADRM Cc1ccc2c(CC(=O)Nc3cccc(CCC(=O)[O-])c3)coc2c1 ZINC000392720927 972515087 /nfs/dbraw/zinc/51/50/87/972515087.db2.gz FQHWZVUVGVERQR-UHFFFAOYSA-N -1 0 337.375 3.940 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(O)ccc2Cl)cc1Cl ZINC000236479730 960663530 /nfs/dbraw/zinc/66/35/30/960663530.db2.gz VPFDEYATEPBVEI-UHFFFAOYSA-N -1 0 326.135 3.650 20 0 EHADRM CC(C)(CCNC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)C1CC1 ZINC000392811683 972525564 /nfs/dbraw/zinc/52/55/64/972525564.db2.gz BXMOAFAPYJQYCL-UHFFFAOYSA-N -1 0 326.343 3.611 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N(C)c1ccc(C)c(Br)c1 ZINC001573775752 960672132 /nfs/dbraw/zinc/67/21/32/960672132.db2.gz ARSYAPAPNOQICQ-UHFFFAOYSA-N -1 0 342.233 3.611 20 0 EHADRM CC(C)(C)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000236588879 960713740 /nfs/dbraw/zinc/71/37/40/960713740.db2.gz NWZQNNNRVMSMFM-LBPRGKRZSA-N -1 0 347.333 3.653 20 0 EHADRM CC(C)(C)c1ccc(OCCCC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000236594510 960713930 /nfs/dbraw/zinc/71/39/30/960713930.db2.gz CTRLFZNEAYDKJP-ZBFHGGJFSA-N -1 0 347.455 3.513 20 0 EHADRM CCC(CC)(CNC(=O)[C@H](OC(C)(C)C)c1ccccc1)C(=O)[O-] ZINC001573783580 960717064 /nfs/dbraw/zinc/71/70/64/960717064.db2.gz HSNNWXHMRGJFGA-OAHLLOKOSA-N -1 0 335.444 3.550 20 0 EHADRM CC(C)C[C@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)C(=O)[O-] ZINC000236630736 960720089 /nfs/dbraw/zinc/72/00/89/960720089.db2.gz FFTBPFAORGBWQU-NSHDSACASA-N -1 0 343.210 3.704 20 0 EHADRM Cc1c(NC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)cccc1-c1ncco1 ZINC001574303692 960725028 /nfs/dbraw/zinc/72/50/28/960725028.db2.gz ABQXHKNAIDWXAF-UHFFFAOYSA-N -1 0 342.395 3.726 20 0 EHADRM CCCC1CCC(NC(=O)N2CCc3c(cccc3C(=O)[O-])C2)CC1 ZINC000392823567 972529231 /nfs/dbraw/zinc/52/92/31/972529231.db2.gz WJTXSKMYXBLWEG-UHFFFAOYSA-N -1 0 344.455 3.811 20 0 EHADRM CC(C)(CNC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC000236703226 960735656 /nfs/dbraw/zinc/73/56/56/960735656.db2.gz DZFIREASXHCVFG-CSKARUKUSA-N -1 0 347.411 3.794 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NCC(C)(C)Cc1cccc(Cl)c1 ZINC000236806518 960762210 /nfs/dbraw/zinc/76/22/10/960762210.db2.gz RUUMIHFRCGJYAD-UHFFFAOYSA-N -1 0 339.863 3.916 20 0 EHADRM CCC[C@](C)(NC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000236824993 960765034 /nfs/dbraw/zinc/76/50/34/960765034.db2.gz SMNLJEDCWWCKSQ-VFZGTOFNSA-N -1 0 348.226 3.520 20 0 EHADRM CCCC[C@@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC000236854810 960776892 /nfs/dbraw/zinc/77/68/92/960776892.db2.gz OKBOAQOOKNHGRV-CYBMUJFWSA-N -1 0 335.787 3.973 20 0 EHADRM CCCc1cc(C(=O)Nc2cccc(OCC(=O)[O-])c2)sc1C ZINC000236907029 960795224 /nfs/dbraw/zinc/79/52/24/960795224.db2.gz ZCZXWWVTLPPKJM-UHFFFAOYSA-N -1 0 333.409 3.725 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000236916789 960797232 /nfs/dbraw/zinc/79/72/32/960797232.db2.gz ABAFRFQJBVRMMD-VHSSKADRSA-N -1 0 325.408 3.655 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000236966168 960817253 /nfs/dbraw/zinc/81/72/53/960817253.db2.gz OUMSECLACONOBG-NSHDSACASA-N -1 0 336.819 3.989 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000236974035 960819212 /nfs/dbraw/zinc/81/92/12/960819212.db2.gz POIYINLDWONXHV-WBVHZDCISA-N -1 0 331.456 3.846 20 0 EHADRM O=C([O-])c1cc(NC(=O)CC2CC(F)(F)C2)ccc1Br ZINC001262179307 960825393 /nfs/dbraw/zinc/82/53/93/960825393.db2.gz KHTFVFCCRBZJIL-UHFFFAOYSA-N -1 0 348.143 3.521 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000237028226 960843186 /nfs/dbraw/zinc/84/31/86/960843186.db2.gz GTCNVPARBKLZRI-LLVKDONJSA-N -1 0 331.334 3.522 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CSc1ccc(Cl)cc1 ZINC000237031569 960845403 /nfs/dbraw/zinc/84/54/03/960845403.db2.gz FVNFMLGNZSOSQZ-UHFFFAOYSA-N -1 0 349.839 3.789 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)C[C@@H](C)c1ccccc1C(F)(F)F ZINC000237037051 960847100 /nfs/dbraw/zinc/84/71/00/960847100.db2.gz AHAUNQUEBRPXSH-VXGBXAGGSA-N -1 0 345.361 3.911 20 0 EHADRM CCN(C(=O)c1ccc(C(=O)[O-])cn1)[C@H](C)c1cc2ccccc2o1 ZINC000237044805 960852096 /nfs/dbraw/zinc/85/20/96/960852096.db2.gz BBFOBGKFFSPDQJ-GFCCVEGCSA-N -1 0 338.363 3.749 20 0 EHADRM CC[C@H](C(=O)Nc1ccc(OCCC(=O)[O-])cc1)c1ccccc1 ZINC000237086862 960867836 /nfs/dbraw/zinc/86/78/36/960867836.db2.gz ADVHETRMFKXQDT-KRWDZBQOSA-N -1 0 327.380 3.672 20 0 EHADRM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)C(CC)(CC)C(=O)[O-] ZINC001573809267 960869536 /nfs/dbraw/zinc/86/95/36/960869536.db2.gz MDUCIICOWZBODY-AWEZNQCLSA-N -1 0 325.836 3.668 20 0 EHADRM CN(CCCOc1cccc(Cl)c1)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000237106031 960870805 /nfs/dbraw/zinc/87/08/05/960870805.db2.gz GJTPFCHSGYQVNX-UHFFFAOYSA-N -1 0 347.798 3.579 20 0 EHADRM Cc1ccc(Cl)cc1CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001263629440 960875658 /nfs/dbraw/zinc/87/56/58/960875658.db2.gz BMOGXFZDBIESMG-UHFFFAOYSA-N -1 0 335.831 3.690 20 0 EHADRM Cc1cc(F)c(Br)cc1OC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC001574330622 960881721 /nfs/dbraw/zinc/88/17/21/960881721.db2.gz FMMGUWQQKVIIQL-NSHDSACASA-N -1 0 347.180 3.549 20 0 EHADRM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001573809982 960881781 /nfs/dbraw/zinc/88/17/81/960881781.db2.gz ZWVBKIDOGULJOE-RCCFBDPRSA-N -1 0 331.456 3.666 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000237237931 960895427 /nfs/dbraw/zinc/89/54/27/960895427.db2.gz BRWNFQYPHAEGGJ-GFCCVEGCSA-N -1 0 327.380 3.834 20 0 EHADRM Cc1ccccc1OCCCC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000237273367 960902351 /nfs/dbraw/zinc/90/23/51/960902351.db2.gz ZLOMMCNORYZEFE-UHFFFAOYSA-N -1 0 341.407 3.511 20 0 EHADRM COc1ccc2oc(C(=O)Nc3cc(C(=O)[O-])ccc3F)c(C)c2c1 ZINC000237311084 960907432 /nfs/dbraw/zinc/90/74/32/960907432.db2.gz DSFSCFNCHSFDCE-UHFFFAOYSA-N -1 0 343.310 3.839 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)N1CCC[C@@](CC)(C(=O)[O-])C1 ZINC001573812855 960909720 /nfs/dbraw/zinc/90/97/20/960909720.db2.gz HGNKRXFQSNCPPP-MAUKXSAKSA-N -1 0 335.469 3.661 20 0 EHADRM COc1cc(CNC(=O)[C@H](C)CC2CCCCC2)ccc1C(=O)[O-] ZINC000237352192 960915172 /nfs/dbraw/zinc/91/51/72/960915172.db2.gz IJLZTVIUVIGIBW-CYBMUJFWSA-N -1 0 333.428 3.616 20 0 EHADRM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001573813654 960916202 /nfs/dbraw/zinc/91/62/02/960916202.db2.gz OCPBVTYKXTWIAR-BSDSXHPESA-N -1 0 329.440 3.672 20 0 EHADRM CC[C@@H](OC(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1cccc(Br)c1 ZINC001573813676 960917124 /nfs/dbraw/zinc/91/71/24/960917124.db2.gz ORHNIOHEDMRCCG-JHJVBQTASA-N -1 0 341.201 3.554 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)[C@H]1C[C@@H]1c1ccccc1)C(=O)[O-] ZINC000237403440 960926885 /nfs/dbraw/zinc/92/68/85/960926885.db2.gz UNUBWJAINYJCAG-LZQZEXGQSA-N -1 0 337.419 3.540 20 0 EHADRM Cc1ccc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])c(C)c1 ZINC000237489722 960946130 /nfs/dbraw/zinc/94/61/30/960946130.db2.gz RRDJHANUKHPYRQ-INIZCTEOSA-N -1 0 325.408 3.667 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)N[C@@H]2c3cc(C)ccc3C[C@H]2C)C1 ZINC001573820433 960947479 /nfs/dbraw/zinc/94/74/79/960947479.db2.gz MBOAESGIUAONQB-CFLQYTFWSA-N -1 0 344.455 3.515 20 0 EHADRM Cc1cc(OC(C)C)ccc1NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001574343386 960952685 /nfs/dbraw/zinc/95/26/85/960952685.db2.gz TYTJMQGMZIXWNL-TWGQIWQCSA-N -1 0 329.352 3.725 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1csc2c1CCCC2)c1ccccc1 ZINC000237543444 960957701 /nfs/dbraw/zinc/95/77/01/960957701.db2.gz DWCKLTSNMXVRRO-YVEFUNNKSA-N -1 0 343.448 3.819 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)NCCCCCCC(=O)[O-] ZINC000237568432 960962721 /nfs/dbraw/zinc/96/27/21/960962721.db2.gz BWXZFJNHNOSZHO-LBPRGKRZSA-N -1 0 343.876 3.972 20 0 EHADRM C[C@H](CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])C1CCCCC1 ZINC000237581345 960967803 /nfs/dbraw/zinc/96/78/03/960967803.db2.gz XVUMKYIQXVUQAJ-RDTXWAMCSA-N -1 0 329.440 3.631 20 0 EHADRM Cc1cccc(COc2cccc(C(=O)NCCCCC(=O)[O-])c2)c1 ZINC000237640145 960980773 /nfs/dbraw/zinc/98/07/73/960980773.db2.gz OQKUQFWVZPYNHC-UHFFFAOYSA-N -1 0 341.407 3.559 20 0 EHADRM Cc1cccc(OCCC(=O)Nc2cc(C(=O)[O-])ccc2F)c1C ZINC000237703737 961000805 /nfs/dbraw/zinc/00/08/05/961000805.db2.gz FOLOXVQTVUBKJS-UHFFFAOYSA-N -1 0 331.343 3.548 20 0 EHADRM Cc1ccc(-c2cc(C(=O)Nc3cc(C(=O)[O-])ccc3F)on2)cc1 ZINC000237709176 961003246 /nfs/dbraw/zinc/00/32/46/961003246.db2.gz DOHMKRJNODBAOM-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)Nc1ncccc1C(=O)[O-] ZINC001574357056 961007989 /nfs/dbraw/zinc/00/79/89/961007989.db2.gz LYLLOKKMAALZKE-ZDUSSCGKSA-N -1 0 342.395 3.618 20 0 EHADRM COc1cccc(/C(C)=C/C(=O)Nc2ccc(C(=O)[O-])cc2C)c1 ZINC001323488984 961018062 /nfs/dbraw/zinc/01/80/62/961018062.db2.gz WEKJTBJWKGUKHQ-ZRDIBKRKSA-N -1 0 325.364 3.744 20 0 EHADRM Cc1ccc(SCCC(=O)NCc2ccc(C(=O)[O-])cc2)cc1C ZINC000237768952 961019990 /nfs/dbraw/zinc/01/99/90/961019990.db2.gz DFODKZJIXMWGQG-UHFFFAOYSA-N -1 0 343.448 3.800 20 0 EHADRM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000237798594 961026321 /nfs/dbraw/zinc/02/63/21/961026321.db2.gz SFDLAQLAGXDZQW-UONOGXRCSA-N -1 0 345.420 3.571 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001324715317 961043288 /nfs/dbraw/zinc/04/32/88/961043288.db2.gz CWQVOWHAINKILJ-MRXNPFEDSA-N -1 0 329.396 3.966 20 0 EHADRM Cc1ccc(N(C)C(=O)c2cccc(C(=O)[O-])c2)cc1Br ZINC001574368843 961062260 /nfs/dbraw/zinc/06/22/60/961062260.db2.gz GIUYHTQHOSZPNN-UHFFFAOYSA-N -1 0 348.196 3.732 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCC2(c3ccc(F)cc3)CCCCC2)o1 ZINC000238009456 961074102 /nfs/dbraw/zinc/07/41/02/961074102.db2.gz BFDJHGIWXIBTBL-UHFFFAOYSA-N -1 0 345.370 3.749 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCc2cccc(Oc3ccccc3)c2)cn1 ZINC000238024902 961081124 /nfs/dbraw/zinc/08/11/24/961081124.db2.gz VNDXFEWUMDLCSE-UHFFFAOYSA-N -1 0 348.358 3.502 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cn1 ZINC000238048051 961086526 /nfs/dbraw/zinc/08/65/26/961086526.db2.gz AIFZOXAEIVZQST-UHFFFAOYSA-N -1 0 333.347 3.776 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)s1 ZINC000238057380 961089522 /nfs/dbraw/zinc/08/95/22/961089522.db2.gz NVYWOETZFXNEHB-UHFFFAOYSA-N -1 0 331.271 3.597 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)CCCCCc2cccs2)cc1 ZINC000238075849 961091273 /nfs/dbraw/zinc/09/12/73/961091273.db2.gz AANBGLWDUDBQHF-UHFFFAOYSA-N -1 0 345.464 3.908 20 0 EHADRM CCCCCCOc1ccc(CC(=O)NC2(C(=O)[O-])CCCC2)cc1 ZINC001573843006 961096282 /nfs/dbraw/zinc/09/62/82/961096282.db2.gz NKZOHXQCNPYSBL-UHFFFAOYSA-N -1 0 347.455 3.702 20 0 EHADRM O=C([O-])CCCCCNC(=O)CCOc1ccc(Cl)c(Cl)c1 ZINC000238140378 961123919 /nfs/dbraw/zinc/12/39/19/961123919.db2.gz DQVLKAZWOVOJLA-UHFFFAOYSA-N -1 0 348.226 3.524 20 0 EHADRM CC(C)(C)c1ccc2[nH]c(C(=O)N3CCCC[C@H]3C(=O)[O-])cc2c1 ZINC001588742026 961176737 /nfs/dbraw/zinc/17/67/37/961176737.db2.gz RPVLHNIPPBPYAW-INIZCTEOSA-N -1 0 328.412 3.545 20 0 EHADRM CCOc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000246021067 961191292 /nfs/dbraw/zinc/19/12/92/961191292.db2.gz UZFZSQKEYCISOQ-JZXOWHBKSA-N -1 0 345.439 3.640 20 0 EHADRM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N(C)C(C)(C)CC(=O)[O-] ZINC001328572090 961212393 /nfs/dbraw/zinc/21/23/93/961212393.db2.gz CLPILGOQZCDZBE-LLVKDONJSA-N -1 0 345.361 3.596 20 0 EHADRM Cc1cccc(CN(Cc2ccco2)C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC001574398677 961226647 /nfs/dbraw/zinc/22/66/47/961226647.db2.gz PKDPOLLYABEUID-DLBZAZTESA-N -1 0 341.407 3.618 20 0 EHADRM CN(C(=O)CCCOc1cccc2ccccc21)C(C)(C)CC(=O)[O-] ZINC001328914008 961234113 /nfs/dbraw/zinc/23/41/13/961234113.db2.gz QFWNBGPQNOOCSZ-UHFFFAOYSA-N -1 0 343.423 3.711 20 0 EHADRM Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC001328999784 961235876 /nfs/dbraw/zinc/23/58/76/961235876.db2.gz OHQSYZVADYOGQI-UHFFFAOYSA-N -1 0 346.386 3.935 20 0 EHADRM Cc1cccc2cc(C(=O)NC3(C(=O)[O-])CCCCC3)c(Cl)nc12 ZINC001574401733 961237264 /nfs/dbraw/zinc/23/72/64/961237264.db2.gz BXVMZDMSAQILGU-UHFFFAOYSA-N -1 0 346.814 3.714 20 0 EHADRM Cc1nc(-c2ccccc2C)sc1C(=O)N1[C@H](C)CC[C@@H]1C(=O)[O-] ZINC001574402103 961240998 /nfs/dbraw/zinc/24/09/98/961240998.db2.gz VUHDJSULJNHHSG-BXUZGUMPSA-N -1 0 344.436 3.505 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1ccc(F)cc1C(C)(F)F ZINC001588764045 961243370 /nfs/dbraw/zinc/24/33/70/961243370.db2.gz JBLHAYDZRFAUBF-UHFFFAOYSA-N -1 0 332.322 3.702 20 0 EHADRM CC(C)(CCNC(=O)NC1CCC(C)(c2ccccc2)CC1)C(=O)[O-] ZINC001588773973 961268061 /nfs/dbraw/zinc/26/80/61/961268061.db2.gz NJDYDWAHKXSUJA-UHFFFAOYSA-N -1 0 346.471 3.687 20 0 EHADRM CN(C(=O)/C=C\c1ccc(F)c2ccccc12)C(C)(C)CC(=O)[O-] ZINC001330254329 961336837 /nfs/dbraw/zinc/33/68/37/961336837.db2.gz PMEDBVDKUJAOTK-LUAWRHEFSA-N -1 0 329.371 3.704 20 0 EHADRM Cc1ncc(/C=C\C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)s1 ZINC001574427225 961372283 /nfs/dbraw/zinc/37/22/83/961372283.db2.gz SWWAYYUMOWEMNR-DJWKRKHSSA-N -1 0 340.763 3.594 20 0 EHADRM CC(C)(c1csc(NC(=O)[C@H](C(=O)[O-])C2CC2)n1)c1ccccc1 ZINC001588794935 961373855 /nfs/dbraw/zinc/37/38/55/961373855.db2.gz WXDISVZXTUKYLM-CQSZACIVSA-N -1 0 344.436 3.518 20 0 EHADRM Cc1ncc(Br)cc1NCc1ccc(C(=O)[O-])s1 ZINC001574427549 961374168 /nfs/dbraw/zinc/37/41/68/961374168.db2.gz YVPLDCRRGMTELZ-UHFFFAOYSA-N -1 0 327.203 3.524 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001331398761 961374204 /nfs/dbraw/zinc/37/42/04/961374204.db2.gz LHRYHVDDZZGMAT-ROUUACIJSA-N -1 0 347.455 3.755 20 0 EHADRM Cc1noc(-c2ccccc2)c1NC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001574436184 961412860 /nfs/dbraw/zinc/41/28/60/961412860.db2.gz HJRYJCXOURVWOJ-CSKARUKUSA-N -1 0 338.319 3.593 20 0 EHADRM Cc1ccc([C@H](C)CNC(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC000262070423 961428922 /nfs/dbraw/zinc/42/89/22/961428922.db2.gz AFHVCIBNFGPKJJ-OAHLLOKOSA-N -1 0 325.408 3.546 20 0 EHADRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCC1CCCC1 ZINC000262080585 961440990 /nfs/dbraw/zinc/44/09/90/961440990.db2.gz AYBKUXUKTJENRA-SFHVURJKSA-N -1 0 342.439 3.640 20 0 EHADRM CCO[C@H](CC)C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](CC)C2 ZINC001573909039 961473061 /nfs/dbraw/zinc/47/30/61/961473061.db2.gz WUEMHLZSHRRDOU-ZYHUDNBSSA-N -1 0 339.457 3.715 20 0 EHADRM CCO[C@H](CC)C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](CC)C2 ZINC001573909035 961473598 /nfs/dbraw/zinc/47/35/98/961473598.db2.gz WUEMHLZSHRRDOU-CMPLNLGQSA-N -1 0 339.457 3.715 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001588808802 961504398 /nfs/dbraw/zinc/50/43/98/961504398.db2.gz YCBMBSBAULPSNP-JTNHKYCSSA-N -1 0 344.238 3.712 20 0 EHADRM CCC[C@@H](C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000262171619 961521568 /nfs/dbraw/zinc/52/15/68/961521568.db2.gz PAPAYWKPYAKHAG-MOPGFXCFSA-N -1 0 337.419 3.781 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2sccc2C(F)F)cc1 ZINC001332327116 961551079 /nfs/dbraw/zinc/55/10/79/961551079.db2.gz SDDWOPXNOJWJLH-GFCCVEGCSA-N -1 0 339.363 3.940 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1ccc(OCC2CCCCC2)cc1 ZINC000262263382 961603536 /nfs/dbraw/zinc/60/35/36/961603536.db2.gz XVKCGSSGMRHVBQ-DLBZAZTESA-N -1 0 331.412 3.695 20 0 EHADRM CCOc1cc(C)ccc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000262281049 961615172 /nfs/dbraw/zinc/61/51/72/961615172.db2.gz ZOTKVGHJHSOXPY-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM Cc1oc(CN(C)Cc2ccc(OC(F)F)c(F)c2)cc1C(=O)[O-] ZINC001333122168 961644783 /nfs/dbraw/zinc/64/47/83/961644783.db2.gz OJMNWSONUQUIIZ-UHFFFAOYSA-N -1 0 343.301 3.659 20 0 EHADRM CC(C)[C@@H](CNC(=O)N1CC[C@H](CC(C)(C)C)C1(C)C)C(=O)[O-] ZINC001588823348 961646967 /nfs/dbraw/zinc/64/69/67/961646967.db2.gz VIWXSCZYMSHMFI-ZIAGYGMSSA-N -1 0 326.481 3.590 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)CCCOc2cccc(F)c2)c1 ZINC000262391556 961691688 /nfs/dbraw/zinc/69/16/88/961691688.db2.gz MFZOYDZYZJIOAM-UHFFFAOYSA-N -1 0 345.370 3.641 20 0 EHADRM C[C@@H](CC(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccccc1F ZINC000262393011 961692201 /nfs/dbraw/zinc/69/22/01/961692201.db2.gz MOFVJNWCCBPUSZ-ZDUSSCGKSA-N -1 0 329.371 3.975 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc3cc(F)ccc3[nH]2)cc1 ZINC001333553060 961719881 /nfs/dbraw/zinc/71/98/81/961719881.db2.gz TUYFIXWPFVPTFM-MRXNPFEDSA-N -1 0 340.354 3.561 20 0 EHADRM CC(C)[C@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccc(F)cc1 ZINC001588833917 961741522 /nfs/dbraw/zinc/74/15/22/961741522.db2.gz SPRUOCKOTUHUIW-PXAMLJHWSA-N -1 0 331.343 3.644 20 0 EHADRM COc1ccc(CCC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1F ZINC000262503600 961755415 /nfs/dbraw/zinc/75/54/15/961755415.db2.gz KXZVNTARWVYPQU-UHFFFAOYSA-N -1 0 345.370 3.721 20 0 EHADRM C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000262675593 961803021 /nfs/dbraw/zinc/80/30/21/961803021.db2.gz QWHNYDDSFPSFFQ-NXEZZACHSA-N -1 0 340.217 3.550 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC000262698552 961813381 /nfs/dbraw/zinc/81/33/81/961813381.db2.gz HGNCUDIVTDEULA-SHTZXODSSA-N -1 0 333.428 3.941 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1Cl ZINC000262722236 961827472 /nfs/dbraw/zinc/82/74/72/961827472.db2.gz QHZWRWMJCPTFEZ-HAQNSBGRSA-N -1 0 339.819 3.957 20 0 EHADRM CC(C)[C@@H]1N(C(=O)Nc2ccccc2CC(=O)[O-])CC12CC=CC2 ZINC001588842755 961828518 /nfs/dbraw/zinc/82/85/18/961828518.db2.gz NRWZREOZGGUICL-KRWDZBQOSA-N -1 0 328.412 3.522 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2Cc2ccccc2)CC1 ZINC000262724673 961828697 /nfs/dbraw/zinc/82/86/97/961828697.db2.gz RULFFACSNWFVJM-CADBVGFASA-N -1 0 343.467 3.795 20 0 EHADRM CCSCc1ccc(C(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])cc1 ZINC000262726753 961830702 /nfs/dbraw/zinc/83/07/02/961830702.db2.gz GSNQMPCSSTZAPM-CRAIPNDOSA-N -1 0 335.469 3.703 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CC1(C(F)(F)F)CC1)c1cccc(Cl)c1 ZINC001334848821 961843231 /nfs/dbraw/zinc/84/32/31/961843231.db2.gz HNXINPVOQDJALT-LLVKDONJSA-N -1 0 349.736 3.705 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)c1 ZINC000262831856 961897840 /nfs/dbraw/zinc/89/78/40/961897840.db2.gz BRHBASPBYIBVNP-OAHLLOKOSA-N -1 0 341.382 3.537 20 0 EHADRM Cc1ccc([C@@H](NC(=O)NCc2ccc(C(=O)[O-])cc2)C2CC2)cc1 ZINC000262873210 961945289 /nfs/dbraw/zinc/94/52/89/961945289.db2.gz AGPNMDZYIZHIAP-GOSISDBHSA-N -1 0 338.407 3.644 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)c2cccc(Cl)c2F)c2ccccc21 ZINC001574558198 962001420 /nfs/dbraw/zinc/00/14/20/962001420.db2.gz OTQUDSDDCUOPAW-JSGCOSHPSA-N -1 0 333.746 3.522 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000262940738 962025530 /nfs/dbraw/zinc/02/55/30/962025530.db2.gz PUUMATQOFOPJJF-KBXCAEBGSA-N -1 0 343.398 3.612 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCC=CCCC2)c2ccccc21 ZINC001574564491 962028649 /nfs/dbraw/zinc/02/86/49/962028649.db2.gz IWCRSCJZBVGAJG-ZTFGCOKTSA-N -1 0 342.439 3.735 20 0 EHADRM CCC1(C(=O)N[C@H](C)c2ccc(OCC(=O)[O-])cc2)CCCCC1 ZINC000262971622 962057712 /nfs/dbraw/zinc/05/77/12/962057712.db2.gz ITTJPPHGWGYSMH-CQSZACIVSA-N -1 0 333.428 3.688 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000262988487 962080309 /nfs/dbraw/zinc/08/03/09/962080309.db2.gz QAEUBHSSYALTIR-BBATYDOGSA-N -1 0 345.370 3.578 20 0 EHADRM CC(C)CN(CC(C)C)C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001588871062 962080763 /nfs/dbraw/zinc/08/07/63/962080763.db2.gz LSEJTWKVCLLPRD-IAGOWNOFSA-N -1 0 332.444 3.623 20 0 EHADRM CCC[C@@H](CC1CCCC1)C(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000263005670 962103178 /nfs/dbraw/zinc/10/31/78/962103178.db2.gz MSSRRDYAAAMSJG-XJKSGUPXSA-N -1 0 349.393 3.849 20 0 EHADRM C/C(=C\C(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1)c1ccc(F)cc1 ZINC001340564784 962103271 /nfs/dbraw/zinc/10/32/71/962103271.db2.gz UMONERBGSBRPAJ-BJRSVTDJSA-N -1 0 341.382 3.870 20 0 EHADRM O=C([O-])CCCCNC(=O)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001340566927 962105501 /nfs/dbraw/zinc/10/55/01/962105501.db2.gz KRDVMLBQLZLBHX-ZFWWWQNUSA-N -1 0 338.835 3.530 20 0 EHADRM Cc1oc(CNC(=O)C2(c3cccs3)CCCCC2)cc1C(=O)[O-] ZINC000263035889 962153916 /nfs/dbraw/zinc/15/39/16/962153916.db2.gz VDWBTXGAOSENCG-UHFFFAOYSA-N -1 0 347.436 3.866 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccc(Sc3ccncc3)cc2)C1 ZINC001574601313 962163337 /nfs/dbraw/zinc/16/33/37/962163337.db2.gz CCVWBGAACIAXHR-QWHCGFSZSA-N -1 0 342.420 3.672 20 0 EHADRM O=C(Nc1ccccc1SC1CCCC1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001574607830 962178653 /nfs/dbraw/zinc/17/86/53/962178653.db2.gz QJJSXOMQWFDKBJ-TXEJJXNPSA-N -1 0 334.441 3.706 20 0 EHADRM COCc1cc(NC(=O)C(C)(C)c2ccccc2F)cc(C(=O)[O-])c1 ZINC000263052032 962184830 /nfs/dbraw/zinc/18/48/30/962184830.db2.gz GEPBCSPUZBDHGB-UHFFFAOYSA-N -1 0 345.370 3.587 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1C[C@H](c2ccccc2)C[C@@H]1C)CC(=O)[O-] ZINC001588890415 962201564 /nfs/dbraw/zinc/20/15/64/962201564.db2.gz GCXZNROAWZRKNF-XYJFISCASA-N -1 0 346.471 3.711 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCc2ccc(Cl)cc21)CC(=O)[O-] ZINC001588892763 962211906 /nfs/dbraw/zinc/21/19/06/962211906.db2.gz DYEYBHABNUNDHR-LBPRGKRZSA-N -1 0 338.835 3.549 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CCc2c1cccc2Cl)CC(=O)[O-] ZINC001588892995 962214513 /nfs/dbraw/zinc/21/45/13/962214513.db2.gz ORXZYGXFTCXRKE-LBPRGKRZSA-N -1 0 338.835 3.549 20 0 EHADRM O=C([O-])[C@H](C(=O)NCC1(c2ccc(F)cc2)CCCC1)C1CCCC1 ZINC001574617976 962239316 /nfs/dbraw/zinc/23/93/16/962239316.db2.gz ZHGWUAQNLKFJJM-KRWDZBQOSA-N -1 0 347.430 3.645 20 0 EHADRM CC1(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)CCCC1 ZINC000263097112 962245708 /nfs/dbraw/zinc/24/57/08/962245708.db2.gz NRLRTMJDEGRCDV-LSDHHAIUSA-N -1 0 335.831 3.547 20 0 EHADRM CC[C@@H](C)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000263109959 962261351 /nfs/dbraw/zinc/26/13/51/962261351.db2.gz JMXQXQOJTQFNGK-MFKMUULPSA-N -1 0 347.333 3.653 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC001588906344 962281410 /nfs/dbraw/zinc/28/14/10/962281410.db2.gz ZYAXQDCLONWMQP-RLFYNMQTSA-N -1 0 331.456 3.558 20 0 EHADRM COCc1cc(NC(=O)[C@H]2C[C@H]2c2sccc2C)cc(C(=O)[O-])c1 ZINC000263129093 962281770 /nfs/dbraw/zinc/28/17/70/962281770.db2.gz SRXVXLKUDFTBTK-CABCVRRESA-N -1 0 345.420 3.643 20 0 EHADRM CC(C)Cc1ccccc1CNC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001588906803 962288905 /nfs/dbraw/zinc/28/89/05/962288905.db2.gz XRYDDOIJLVWVIG-NTMALXAHSA-N -1 0 327.380 3.506 20 0 EHADRM O=C([O-])C1(C(=O)NCCc2ccc(F)cc2Cl)CCCCCC1 ZINC001574629430 962290775 /nfs/dbraw/zinc/29/07/75/962290775.db2.gz AFABXQHJLVWLFJ-UHFFFAOYSA-N -1 0 341.810 3.563 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(-c3ccon3)cc2)CCCCCC1 ZINC001574633195 962307779 /nfs/dbraw/zinc/30/77/79/962307779.db2.gz MHNMJCQDCSLILT-UHFFFAOYSA-N -1 0 328.368 3.705 20 0 EHADRM Cc1ccc(SC2CCCC2)c(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)c1 ZINC000263189561 962345077 /nfs/dbraw/zinc/34/50/77/962345077.db2.gz MITHZICZQNQNFI-ZFWWWQNUSA-N -1 0 347.480 3.965 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2scnc2C(C)(C)C)cc1 ZINC000263190816 962345977 /nfs/dbraw/zinc/34/59/77/962345977.db2.gz INFWCQOONVXDJA-SNVBAGLBSA-N -1 0 332.425 3.881 20 0 EHADRM Cc1cc(NC(=O)CCCCC(=O)[O-])ccc1OCC(F)(F)F ZINC000263271890 962409707 /nfs/dbraw/zinc/40/97/07/962409707.db2.gz IFUHDCHFKCTVTI-UHFFFAOYSA-N -1 0 333.306 3.520 20 0 EHADRM C[C@]1(NC(=O)CC2CC(c3ccccc3)C2)CCCC[C@@H]1C(=O)[O-] ZINC000263299607 962440999 /nfs/dbraw/zinc/44/09/99/962440999.db2.gz CYRNFESFQKRZHD-ZCQYEXLDSA-N -1 0 329.440 3.720 20 0 EHADRM CSc1ccc(-c2csc(NC(=O)CCCC(=O)[O-])n2)cc1 ZINC001349385907 962466501 /nfs/dbraw/zinc/46/65/01/962466501.db2.gz FBPSNBXZOYWYQC-UHFFFAOYSA-N -1 0 336.438 3.725 20 0 EHADRM CCOc1cccc2cc([C@@H](C)NC(=O)[C@@H]3CC[C@H](C(=O)[O-])C3)oc21 ZINC000263353642 962507268 /nfs/dbraw/zinc/50/72/68/962507268.db2.gz WHFMFJPMXMJBIF-BNOWGMLFSA-N -1 0 345.395 3.510 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000263355174 962509198 /nfs/dbraw/zinc/50/91/98/962509198.db2.gz WTCQTFZGHPLJEB-STQMWFEESA-N -1 0 329.371 3.831 20 0 EHADRM CC(C)Oc1ccc(Cl)cc1C(=O)N1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC001588938019 962511225 /nfs/dbraw/zinc/51/12/25/962511225.db2.gz FJKBMCZXCOWIBJ-BXUZGUMPSA-N -1 0 339.819 3.595 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cc(-c3ccccc3)ccn2)CCCCC1 ZINC001574675647 962561377 /nfs/dbraw/zinc/56/13/77/962561377.db2.gz RQYMMCZRMXDBJH-UHFFFAOYSA-N -1 0 338.407 3.656 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000263444197 962627131 /nfs/dbraw/zinc/62/71/31/962627131.db2.gz QMBXXWHCADBGIQ-UHFFFAOYSA-N -1 0 343.379 3.789 20 0 EHADRM Cc1c(Cl)cccc1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000263481527 962667326 /nfs/dbraw/zinc/66/73/26/962667326.db2.gz ARTIIQRIXSEBNG-JKSUJKDBSA-N -1 0 343.810 3.589 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000263518363 962700718 /nfs/dbraw/zinc/70/07/18/962700718.db2.gz FVUNUWFZUFAUOD-CRAIPNDOSA-N -1 0 341.382 3.519 20 0 EHADRM CC[C@H]1CC[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)CC1 ZINC000263528558 962710658 /nfs/dbraw/zinc/71/06/58/962710658.db2.gz LHACEBDVXSLEKN-LEUOFYLZSA-N -1 0 329.440 3.530 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)cc1 ZINC000263531257 962712666 /nfs/dbraw/zinc/71/26/66/962712666.db2.gz MLVYKWJEWUZQQI-WMZOPIPTSA-N -1 0 341.382 3.519 20 0 EHADRM CCc1occc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(SC)cc1 ZINC000263535634 962714104 /nfs/dbraw/zinc/71/41/04/962714104.db2.gz OKXYURFJSMIPMS-AWEZNQCLSA-N -1 0 333.409 3.510 20 0 EHADRM CCCc1occc1C(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC000263558261 962728354 /nfs/dbraw/zinc/72/83/54/962728354.db2.gz ZZVQBKUTVSJDJU-UHFFFAOYSA-N -1 0 329.396 3.739 20 0 EHADRM C[C@]1(Cc2ccccc2)CCCN1C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000263568332 962734598 /nfs/dbraw/zinc/73/45/98/962734598.db2.gz GZKXFZFRGAKQCY-MBOZVWFJSA-N -1 0 329.440 3.501 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2CCCc2ccccc2)o1 ZINC000263573092 962739433 /nfs/dbraw/zinc/73/94/33/962739433.db2.gz LWUXMVQIQAKOJV-OAHLLOKOSA-N -1 0 327.380 3.605 20 0 EHADRM O=C([O-])COc1cccc(C(=O)N2CCCC3(CCCCC3)CC2)c1 ZINC000263580192 962744210 /nfs/dbraw/zinc/74/42/10/962744210.db2.gz VQORZHBCFFANNR-UHFFFAOYSA-N -1 0 345.439 3.727 20 0 EHADRM COc1cc(NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c(C)c(OC)c1 ZINC001574187588 962847940 /nfs/dbraw/zinc/84/79/40/962847940.db2.gz LSTYJLLBZTZFIK-UHFFFAOYSA-N -1 0 344.367 3.663 20 0 EHADRM C[C@H](CC1CCCC1)C(=O)N1CCCC[C@@H]1c1ccc(C(=O)[O-])n1C ZINC001526767203 962909020 /nfs/dbraw/zinc/90/90/20/962909020.db2.gz XOFMSFZKIMFXEP-RHSMWYFYSA-N -1 0 346.471 3.993 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)C1 ZINC000263381345 1125485125 /nfs/dbraw/zinc/48/51/25/1125485125.db2.gz XIPIYEIEVPWMSJ-OEEDQJSGSA-N -1 0 333.472 3.552 20 0 EHADRM Cc1c(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)sc2cccc(F)c12 ZINC001549911718 962982069 /nfs/dbraw/zinc/98/20/69/962982069.db2.gz SLCFYNPXQGAAEG-ACJLOTCBSA-N -1 0 347.411 3.818 20 0 EHADRM O=C([O-])c1ccccc1CCNC(=O)N[C@H]1CCCC12CCCCC2 ZINC000313040507 963614576 /nfs/dbraw/zinc/61/45/76/963614576.db2.gz XCLJLOXWEMSXDK-KRWDZBQOSA-N -1 0 344.455 3.730 20 0 EHADRM Cc1csc(C(=O)[O-])c1S(=O)(=O)Nc1cccc(C)c1Cl ZINC000313985955 963697260 /nfs/dbraw/zinc/69/72/60/963697260.db2.gz KVJQTGBWJTWBSD-UHFFFAOYSA-N -1 0 345.829 3.517 20 0 EHADRM CCCCc1ccc(NS(=O)(=O)c2ccsc2C(=O)[O-])cc1 ZINC000314196859 963724185 /nfs/dbraw/zinc/72/41/85/963724185.db2.gz HOQLRYKSKXBWMK-UHFFFAOYSA-N -1 0 339.438 3.590 20 0 EHADRM N#Cc1cc(Br)ccc1COc1ccc(CC(=O)[O-])cc1 ZINC000314613863 963778036 /nfs/dbraw/zinc/77/80/36/963778036.db2.gz HRTWRCRJEVQVFT-UHFFFAOYSA-N -1 0 346.180 3.527 20 0 EHADRM CN(Cc1ccc(Cl)cc1)C(=O)NCCCCCCC(=O)[O-] ZINC000315437210 963901034 /nfs/dbraw/zinc/90/10/34/963901034.db2.gz YQGLKIUSJXACDT-UHFFFAOYSA-N -1 0 326.824 3.517 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000315900406 963949782 /nfs/dbraw/zinc/94/97/82/963949782.db2.gz STEAWQFRMLOKMQ-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM COc1ccc(NC(=O)c2cc(Cl)ccc2Cl)c(C(=O)[O-])c1 ZINC000316489588 964018394 /nfs/dbraw/zinc/01/83/94/964018394.db2.gz OJYFERGUUDOEQX-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM CCC(CC)(CNC(=O)N[C@@H](C)c1ccc(Cl)s1)C(=O)[O-] ZINC000165131438 967667069 /nfs/dbraw/zinc/66/70/69/967667069.db2.gz SHZZDCXVBPOWQR-VIFPVBQESA-N -1 0 332.853 3.653 20 0 EHADRM CC(C)(C)c1ccccc1OCC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000236751589 967779089 /nfs/dbraw/zinc/77/90/89/967779089.db2.gz RUSJRBOUPAWTQV-HNNXBMFYSA-N -1 0 347.455 3.609 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000237248071 967783080 /nfs/dbraw/zinc/78/30/80/967783080.db2.gz OKEOPQGSLDGNIK-DOTOQJQBSA-N -1 0 347.455 3.510 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)CCCOCc2ccccc2)c1 ZINC000262409278 967820732 /nfs/dbraw/zinc/82/07/32/967820732.db2.gz PATRTYHMEAIFNL-UHFFFAOYSA-N -1 0 341.407 3.639 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc3c(s2)CCCCC3)C1 ZINC000320702224 968008109 /nfs/dbraw/zinc/00/81/09/968008109.db2.gz IRSAVUJSECXVJK-SFHVURJKSA-N -1 0 335.469 3.734 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccc2ncsc2c1)CC(=O)[O-] ZINC000322893241 968021705 /nfs/dbraw/zinc/02/17/05/968021705.db2.gz YXAAYKKPVXPYQI-NSHDSACASA-N -1 0 335.429 3.555 20 0 EHADRM CC(C)C[C@H](CNC(=O)CCc1ccc([C@H]2C[C@@H]2C)o1)CC(=O)[O-] ZINC000325079276 968036490 /nfs/dbraw/zinc/03/64/90/968036490.db2.gz YHJDPVSVBYLAQO-DZKIICNBSA-N -1 0 335.444 3.589 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc3ccccc3c(Cl)n2)C1 ZINC000326224622 968042068 /nfs/dbraw/zinc/04/20/68/968042068.db2.gz SNHOQIYELWAEEZ-SFHVURJKSA-N -1 0 346.814 3.605 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Nc1ccc(OC(F)F)cc1 ZINC000392026075 968195001 /nfs/dbraw/zinc/19/50/01/968195001.db2.gz DMHGPIKIIYWUQK-GFCCVEGCSA-N -1 0 342.342 3.539 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000392112445 968196174 /nfs/dbraw/zinc/19/61/74/968196174.db2.gz BPLQVDFSOKGFLH-UONOGXRCSA-N -1 0 334.416 3.583 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)NCC(C)(C)CCCc1ccccc1 ZINC000414619296 968338006 /nfs/dbraw/zinc/33/80/06/968338006.db2.gz CYLSENRYILYGTN-UHFFFAOYSA-N -1 0 334.460 3.542 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2cccc(OC3CCCC3)c2)C[C@H]1C(=O)[O-] ZINC000584530277 968482539 /nfs/dbraw/zinc/48/25/39/968482539.db2.gz UFSNJAAJGUQLIY-SUMWQHHRSA-N -1 0 346.427 3.583 20 0 EHADRM CC(C)[C@H](SCc1ccccc1)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000610892156 968507959 /nfs/dbraw/zinc/50/79/59/968507959.db2.gz YCKRJXXRZOVWGJ-WMZOPIPTSA-N -1 0 349.496 3.658 20 0 EHADRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000621706856 968512003 /nfs/dbraw/zinc/51/20/03/968512003.db2.gz FFDFVPLTEIOKKC-GFCCVEGCSA-N -1 0 334.803 3.599 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2ccc(C3CCOCC3)cc2)c1 ZINC000630131133 968527216 /nfs/dbraw/zinc/52/72/16/968527216.db2.gz MEASDBWTXJQCCJ-UHFFFAOYSA-N -1 0 325.364 3.531 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cccc(OC3CCCC3)c2)CC[C@@H]1C(=O)[O-] ZINC000630556882 968536017 /nfs/dbraw/zinc/53/60/17/968536017.db2.gz LXZCEVQSQQGLKJ-GUYCJALGSA-N -1 0 346.427 3.583 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653333874 968665809 /nfs/dbraw/zinc/66/58/09/968665809.db2.gz VAWIVTODLJEVTE-MSOLQXFVSA-N -1 0 337.419 3.685 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000653536680 968672528 /nfs/dbraw/zinc/67/25/28/968672528.db2.gz DPLZJYJLHNVPJI-SNVBAGLBSA-N -1 0 330.837 3.540 20 0 EHADRM COc1ccccc1Oc1ccc(NC(=O)C2(C(=O)[O-])CCC2)cc1 ZINC000654820991 968677614 /nfs/dbraw/zinc/67/76/14/968677614.db2.gz SQNYXCNMWWXYPT-UHFFFAOYSA-N -1 0 341.363 3.681 20 0 EHADRM C[C@H](CNC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000655888407 968705349 /nfs/dbraw/zinc/70/53/49/968705349.db2.gz KNKFXZFYJPQOIX-RNCFNFMXSA-N -1 0 345.226 3.561 20 0 EHADRM C[C@H](NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c1nc(-c2ccccc2)cs1 ZINC000663084557 968792915 /nfs/dbraw/zinc/79/29/15/968792915.db2.gz WXAHTHHEKAQYGM-FZMZJTMJSA-N -1 0 346.452 3.734 20 0 EHADRM CC(C)(CC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21)C(F)(F)F ZINC000669434208 968853092 /nfs/dbraw/zinc/85/30/92/968853092.db2.gz NNDDBNIVHABDPA-NSHDSACASA-N -1 0 329.318 3.570 20 0 EHADRM O=C([O-])[C@@H]1CCCN1C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1 ZINC000769513276 969163769 /nfs/dbraw/zinc/16/37/69/969163769.db2.gz QUBLYIGQWXJCDS-WWRUEGTHSA-N -1 0 345.395 3.643 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1cc(Cl)ccc1OC1CCCC1 ZINC000872731735 969352828 /nfs/dbraw/zinc/35/28/28/969352828.db2.gz HAHXPYGVPXVCSR-QWHCGFSZSA-N -1 0 337.803 3.711 20 0 EHADRM CC(C)C[C@H](CNc1cc(Cl)nc([C@H]2CCCO2)n1)CC(=O)[O-] ZINC000886912076 969407728 /nfs/dbraw/zinc/40/77/28/969407728.db2.gz KLHWGTQDQCHDCV-NWDGAFQWSA-N -1 0 341.839 3.530 20 0 EHADRM O=C([O-])c1ccccc1C1CCN(C(=O)[C@@H]2CCCC23CC3)CC1 ZINC000901553111 969438299 /nfs/dbraw/zinc/43/82/99/969438299.db2.gz YWDATRRTQRXULN-KRWDZBQOSA-N -1 0 327.424 3.671 20 0 EHADRM Cc1occ(C(F)(F)F)c1C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC000901568625 969440376 /nfs/dbraw/zinc/44/03/76/969440376.db2.gz BFOGQPAVSZBWKE-SNVBAGLBSA-N -1 0 335.322 3.616 20 0 EHADRM Cc1nc2c(Cl)cccc2cc1C(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000902000142 969505472 /nfs/dbraw/zinc/50/54/72/969505472.db2.gz YDLJRBDKUDOEOE-CYBMUJFWSA-N -1 0 346.814 3.666 20 0 EHADRM Cc1ccc(NC(=O)C2CC2)cc1NCc1ccc(C(=O)[O-])s1 ZINC000903673769 969582118 /nfs/dbraw/zinc/58/21/18/969582118.db2.gz HKKZLRHPECAGDP-UHFFFAOYSA-N -1 0 330.409 3.715 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)[C@H]2CSc3ccccc32)s1 ZINC000317789796 970388595 /nfs/dbraw/zinc/38/85/95/970388595.db2.gz YWTAMAQDEHCPPV-LBPRGKRZSA-N -1 0 333.434 3.837 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)c1ccc(Cl)cc1F ZINC000319170194 970510166 /nfs/dbraw/zinc/51/01/66/970510166.db2.gz MWPDZQQXKOYVSJ-AWEZNQCLSA-N -1 0 327.783 3.633 20 0 EHADRM Cc1sc(NC(=O)c2cccc([N+](=O)[O-])c2C)c(C(=O)[O-])c1C ZINC000319198011 970513076 /nfs/dbraw/zinc/51/30/76/970513076.db2.gz DEDLZBHWDOKZCF-UHFFFAOYSA-N -1 0 334.353 3.532 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2csc(-c3cccs3)n2)ccc1F ZINC000319888212 970585422 /nfs/dbraw/zinc/58/54/22/970585422.db2.gz XSRMLJCNWJEPJO-UHFFFAOYSA-N -1 0 348.380 3.961 20 0 EHADRM Cc1ccc(SCCC(=O)Nc2ccc(C(=O)[O-])cn2)cc1C ZINC000320190183 970627407 /nfs/dbraw/zinc/62/74/07/970627407.db2.gz GDCDNEICXDFKPQ-UHFFFAOYSA-N -1 0 330.409 3.518 20 0 EHADRM Cc1cc(C(=O)[O-])c(NC(=O)c2ccc(OC(F)(F)F)cc2)s1 ZINC000320850334 970723246 /nfs/dbraw/zinc/72/32/46/970723246.db2.gz PQSIPNGNCQAUTM-UHFFFAOYSA-N -1 0 345.298 3.906 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000321082549 970740638 /nfs/dbraw/zinc/74/06/38/970740638.db2.gz IEQQYRLXVKYJQH-PIGZYNQJSA-N -1 0 335.400 3.594 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000392922017 972544140 /nfs/dbraw/zinc/54/41/40/972544140.db2.gz KMRVWQCCOMQSDB-ZDUSSCGKSA-N -1 0 345.370 3.735 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001604962819 972547027 /nfs/dbraw/zinc/54/70/27/972547027.db2.gz CJTYGBGSOVNZIN-KOLCDFICSA-N -1 0 342.848 3.636 20 0 EHADRM CSc1ccc(Cl)c(NC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1 ZINC001604964710 972552311 /nfs/dbraw/zinc/55/23/11/972552311.db2.gz BIEICNPBERTVQW-NXEZZACHSA-N -1 0 342.848 3.636 20 0 EHADRM CSc1ccc(/C=C/C(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2)s1 ZINC001604965129 972554447 /nfs/dbraw/zinc/55/44/47/972554447.db2.gz WAYPGMPHMOEPFM-IQIBNGDESA-N -1 0 347.461 3.734 20 0 EHADRM CCc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)c(C(=O)[O-])c1 ZINC000393103963 972561792 /nfs/dbraw/zinc/56/17/92/972561792.db2.gz DPJQLEQYUWSIHL-UHFFFAOYSA-N -1 0 346.314 3.555 20 0 EHADRM C[C@@H](NC(=O)[C@]1(C(=O)[O-])CC1(C)C)c1cc(Cl)ccc1Cl ZINC001604982944 972575565 /nfs/dbraw/zinc/57/55/65/972575565.db2.gz IQVKEXRVPKRRAA-GLEZIHRCSA-N -1 0 330.211 3.672 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(SC3CC3)cc2)ccc1O ZINC001605855448 972604393 /nfs/dbraw/zinc/60/43/93/972604393.db2.gz UJWZPNUCOCGNAY-UHFFFAOYSA-N -1 0 329.377 3.597 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1ccc2occc2c1)c1ccc(F)cc1 ZINC001605857545 972608063 /nfs/dbraw/zinc/60/80/63/972608063.db2.gz QHEPAEWEIPWQJI-OAHLLOKOSA-N -1 0 328.299 3.519 20 0 EHADRM O=C([O-])C1CCC(NC(=O)Nc2ccccc2-c2nccs2)CC1 ZINC001605863310 972617846 /nfs/dbraw/zinc/61/78/46/972617846.db2.gz MIPWKRVJPRGCJN-UHFFFAOYSA-N -1 0 345.424 3.575 20 0 EHADRM CC1(C)CCN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)c2ccccc21 ZINC001603329031 972687172 /nfs/dbraw/zinc/68/71/72/972687172.db2.gz VGGRAFMNOGXTEN-CSKARUKUSA-N -1 0 325.364 3.706 20 0 EHADRM O=C([O-])[C@@H](C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1)C1CC1 ZINC001605900943 972730648 /nfs/dbraw/zinc/73/06/48/972730648.db2.gz KLYOXLXQGXGBJZ-MRXNPFEDSA-N -1 0 336.347 3.544 20 0 EHADRM Cc1c(NCC(C)(C)C)cccc1C(=O)N(CC(=O)[O-])C1CCC1 ZINC001605090972 972733526 /nfs/dbraw/zinc/73/35/26/972733526.db2.gz AQTJQBWSHICHPT-UHFFFAOYSA-N -1 0 332.444 3.532 20 0 EHADRM C[C@H](c1ccccc1)N(C)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000394925070 972766239 /nfs/dbraw/zinc/76/62/39/972766239.db2.gz QEEFGFNCEHURNX-CQSZACIVSA-N -1 0 326.396 3.929 20 0 EHADRM C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC001603356159 972811527 /nfs/dbraw/zinc/81/15/27/972811527.db2.gz XDZFSDFBPKMZPD-PWSUYJOCSA-N -1 0 344.333 3.508 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001603366643 972858107 /nfs/dbraw/zinc/85/81/07/972858107.db2.gz VCJNBMUMNFMIOG-SCZZXKLOSA-N -1 0 349.736 3.542 20 0 EHADRM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000396367694 972867482 /nfs/dbraw/zinc/86/74/82/972867482.db2.gz ANYCBGFONLOFAM-VXGBXAGGSA-N -1 0 347.798 3.934 20 0 EHADRM Cc1cc([C@H](C)NC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c(C)o1 ZINC000396388212 972870700 /nfs/dbraw/zinc/87/07/00/972870700.db2.gz PVJGTVXSEPOTEA-RYUDHWBXSA-N -1 0 330.384 3.967 20 0 EHADRM Cc1cc(CNC(=O)[C@@H](C(=O)[O-])C(C)C)ccc1-c1ccccc1 ZINC001605171990 972876109 /nfs/dbraw/zinc/87/61/09/972876109.db2.gz DXFNBCNMAXJXIU-SFHVURJKSA-N -1 0 325.408 3.635 20 0 EHADRM Cc1[nH]c2c(cc(C)cc2CNC(=O)[C@H](C(=O)[O-])C2CCCC2)c1C ZINC001605172839 972880799 /nfs/dbraw/zinc/88/07/99/972880799.db2.gz PRLNDVYUWXYAJH-QGZVFWFLSA-N -1 0 342.439 3.600 20 0 EHADRM CCOc1ccccc1CCC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000396609547 972921871 /nfs/dbraw/zinc/92/18/71/972921871.db2.gz GRLAYRPQVIJWPR-AWEZNQCLSA-N -1 0 341.407 3.845 20 0 EHADRM CC(C)[C@H](CNC(=O)N[C@H]1C[C@@H](C)C[C@H](c2ccccc2)C1)C(=O)[O-] ZINC001603380169 972945752 /nfs/dbraw/zinc/94/57/52/972945752.db2.gz LBTYNDAFFKGQBX-DKIMLUQUSA-N -1 0 346.471 3.615 20 0 EHADRM Cc1cc(NC(=O)NCC2([C@@H]3CCCCO3)CCC2)ccc1C(=O)[O-] ZINC001605202695 972945869 /nfs/dbraw/zinc/94/58/69/972945869.db2.gz SOACUKFVVNNHFF-INIZCTEOSA-N -1 0 346.427 3.554 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001605224691 972976908 /nfs/dbraw/zinc/97/69/08/972976908.db2.gz VOCCBQYIZXNFEX-GOEBONIOSA-N -1 0 333.428 3.609 20 0 EHADRM Cc1cc2sc(NC(=O)Cc3ccccc3C(=O)[O-])nc2cc1F ZINC001605233014 972987676 /nfs/dbraw/zinc/98/76/76/972987676.db2.gz MSIFEIZGVPEFLN-UHFFFAOYSA-N -1 0 344.367 3.623 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)N2CCC3(CCCC3)CC2)c2ccccc21 ZINC001605976475 972997680 /nfs/dbraw/zinc/99/76/80/972997680.db2.gz AEGWVHCJWBDESP-SJORKVTESA-N -1 0 342.439 3.665 20 0 EHADRM Cc1ccc(F)cc1NCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001605284865 973086590 /nfs/dbraw/zinc/08/65/90/973086590.db2.gz UEXXDEHXQNOGGH-ZDUSSCGKSA-N -1 0 332.375 3.640 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2ccsc2C(F)(F)F)C(=O)[O-])c1 ZINC001605327550 973168690 /nfs/dbraw/zinc/16/86/90/973168690.db2.gz DLABKXZRBPBTNH-LLVKDONJSA-N -1 0 343.326 3.631 20 0 EHADRM Cc1cccc([C@@H](NC(=O)[C@H](C)SCc2ccccc2)C(=O)[O-])c1 ZINC001605328099 973178000 /nfs/dbraw/zinc/17/80/00/973178000.db2.gz JYHPCRAZBOFPMX-WMLDXEAASA-N -1 0 343.448 3.559 20 0 EHADRM Cc1cccc([C@@H](NC(=O)NCC2(C(=O)[O-])CCC2)C(C)(C)C)c1 ZINC001605328952 973190551 /nfs/dbraw/zinc/19/05/51/973190551.db2.gz RAPWUJABMKSENW-OAHLLOKOSA-N -1 0 332.444 3.636 20 0 EHADRM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NC1CCC(C(=O)[O-])CC1 ZINC001605347406 973244355 /nfs/dbraw/zinc/24/43/55/973244355.db2.gz KUNCXHWQDIVNHE-CIDNJEQPSA-N -1 0 329.440 3.736 20 0 EHADRM Cc1cccc2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])sc21 ZINC001605349826 973249445 /nfs/dbraw/zinc/24/94/45/973249445.db2.gz IVVSNKHOXBOXTK-HNNXBMFYSA-N -1 0 339.416 3.635 20 0 EHADRM Cc1ccccc1C1(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CCC1 ZINC001605350720 973252961 /nfs/dbraw/zinc/25/29/61/973252961.db2.gz AXTZPNAXDGWVTE-INIZCTEOSA-N -1 0 331.456 3.670 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)C2=C(c3ccccc3)CCCC2)C1 ZINC001606090380 973255611 /nfs/dbraw/zinc/25/56/11/973255611.db2.gz HUZQTLFEMRQXLY-HNNXBMFYSA-N -1 0 327.424 3.728 20 0 EHADRM CC(C)=CCC[C@@H](C)CC(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000400792060 973314593 /nfs/dbraw/zinc/31/45/93/973314593.db2.gz UYQFJHBJJXHSNY-RHSMWYFYSA-N -1 0 331.412 3.638 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000401311576 973354846 /nfs/dbraw/zinc/35/48/46/973354846.db2.gz DTLWCZKEDZBUNW-SSDOTTSWSA-N -1 0 339.697 3.678 20 0 EHADRM Cc1c(C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])sc2cccc(F)c12 ZINC000401388346 973361166 /nfs/dbraw/zinc/36/11/66/973361166.db2.gz RDIBILGGKYXDPQ-NSHDSACASA-N -1 0 337.416 3.968 20 0 EHADRM CC[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccc(OC)cc1 ZINC001603488340 973418365 /nfs/dbraw/zinc/41/83/65/973418365.db2.gz KYPSEYBQEXTEMY-AWEZNQCLSA-N -1 0 331.343 3.665 20 0 EHADRM Cc1nc2ccc(COC(=O)c3coc(/C=C/C(=O)[O-])c3)cc2s1 ZINC001605416448 973425780 /nfs/dbraw/zinc/42/57/80/973425780.db2.gz PPECTQKGXAAEEU-HWKANZROSA-N -1 0 343.360 3.653 20 0 EHADRM O=C([O-])CCNC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC001606195456 973446347 /nfs/dbraw/zinc/44/63/47/973446347.db2.gz NYDSGMOYPBXOAM-UHFFFAOYSA-N -1 0 334.759 3.729 20 0 EHADRM COC[C@H](NC(=O)Nc1ccccc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001604516815 973463693 /nfs/dbraw/zinc/46/36/93/973463693.db2.gz ZHROPLUZDAUDEM-HNNXBMFYSA-N -1 0 348.786 3.547 20 0 EHADRM Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)CCCCC(=O)[O-])c1C ZINC001605429110 973468119 /nfs/dbraw/zinc/46/81/19/973468119.db2.gz WMORIYMUPJFNMC-UHFFFAOYSA-N -1 0 349.818 3.726 20 0 EHADRM CC[C@@H](C)N(Cc1ccccc1)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001603512740 973513971 /nfs/dbraw/zinc/51/39/71/973513971.db2.gz OACYZEBNJHMWFQ-CYBMUJFWSA-N -1 0 327.384 3.612 20 0 EHADRM Cc1oc(-c2cccs2)nc1CC(=O)Nc1sccc1C(=O)[O-] ZINC001605455121 973541396 /nfs/dbraw/zinc/54/13/96/973541396.db2.gz YQJOOTSFIWYKON-UHFFFAOYSA-N -1 0 348.405 3.652 20 0 EHADRM Cc1sc(NC(=O)NCc2ccccc2C(=O)[O-])nc1C(C)C ZINC001605460870 973555095 /nfs/dbraw/zinc/55/50/95/973555095.db2.gz AWGDNBSRHMMMQM-UHFFFAOYSA-N -1 0 333.413 3.595 20 0 EHADRM Cc1sc(CN2CCC[C@H](C)[C@@H]2C(=O)[O-])cc1Br ZINC001605461427 973560278 /nfs/dbraw/zinc/56/02/78/973560278.db2.gz YVAXNTBRFMVBDV-QPUJVOFHSA-N -1 0 332.263 3.504 20 0 EHADRM CC[C@@H](CNc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001603574995 973716887 /nfs/dbraw/zinc/71/68/87/973716887.db2.gz XTWMFDABYAURAM-ZDUSSCGKSA-N -1 0 345.374 3.536 20 0 EHADRM CCCn1c2ccccc2nc1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000339270824 1014137056 /nfs/dbraw/zinc/13/70/56/1014137056.db2.gz NLLGOJQRBRQXGI-UHFFFAOYSA-N -1 0 346.390 3.540 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1cscc1Br ZINC000404837011 973752835 /nfs/dbraw/zinc/75/28/35/973752835.db2.gz AQULHFYVYNZZPV-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM COc1c(C)ccc(NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1C ZINC001604675405 973868569 /nfs/dbraw/zinc/86/85/69/973868569.db2.gz VPWFPQCFBKPVAB-CQSZACIVSA-N -1 0 336.432 3.713 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2nc3ccccc3cc2Cl)C1 ZINC001603608737 973871225 /nfs/dbraw/zinc/87/12/25/973871225.db2.gz ATDKGGGYVHUTBR-GOSISDBHSA-N -1 0 346.814 3.605 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2nc3ccccc3cc2Cl)C1 ZINC001603608738 973871348 /nfs/dbraw/zinc/87/13/48/973871348.db2.gz ATDKGGGYVHUTBR-SFHVURJKSA-N -1 0 346.814 3.605 20 0 EHADRM O=C([O-])[C@H](Cc1ccccc1)Nc1nc(C(F)F)nc2ccccc21 ZINC001606433193 973880305 /nfs/dbraw/zinc/88/03/05/973880305.db2.gz ITIDLBNALWLHQN-AWEZNQCLSA-N -1 0 343.333 3.675 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(C(=O)Nc1cccc3ccsc31)CC2 ZINC000405448295 973882615 /nfs/dbraw/zinc/88/26/15/973882615.db2.gz NSFZWLPVTACSLI-LBPRGKRZSA-N -1 0 330.409 3.620 20 0 EHADRM CCC1(CC)CN(C(=O)C2(C(=O)[O-])CCSCC2)c2ccccc21 ZINC001603611324 973887725 /nfs/dbraw/zinc/88/77/25/973887725.db2.gz FVYCSHGUKSNGFO-UHFFFAOYSA-N -1 0 347.480 3.689 20 0 EHADRM COc1cc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)ccc1F ZINC001604692656 973890773 /nfs/dbraw/zinc/89/07/73/973890773.db2.gz ZEVXUSFVBQBRNC-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM CCC1(NC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)CCCCC1 ZINC001603616830 973895113 /nfs/dbraw/zinc/89/51/13/973895113.db2.gz ARBZFCNWWPSWLV-HZPDHXFCSA-N -1 0 330.428 3.712 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)[C@@H]2CCc3ccccc3O2)c1Cl ZINC001606459066 973905362 /nfs/dbraw/zinc/90/53/62/973905362.db2.gz RNRGPCTUVZJFFU-ZDUSSCGKSA-N -1 0 349.745 3.510 20 0 EHADRM O=C([O-])c1cc(NC(=O)N(Cc2ccc(Cl)cc2)C2CC2)ccn1 ZINC001606465985 973935666 /nfs/dbraw/zinc/93/56/66/973935666.db2.gz JMULRGHWDCWRIH-UHFFFAOYSA-N -1 0 345.786 3.630 20 0 EHADRM O=C([O-])CCCCCNC(=O)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000414606134 973941394 /nfs/dbraw/zinc/94/13/94/973941394.db2.gz DDIQFECQYZAKQU-SJORKVTESA-N -1 0 332.444 3.657 20 0 EHADRM Cc1ccc(-c2n[nH]cc2CNc2ccc(C[C@@H](C)C(=O)[O-])cc2)o1 ZINC000417606744 973965822 /nfs/dbraw/zinc/96/58/22/973965822.db2.gz FGXVTYQLZQBLNH-GFCCVEGCSA-N -1 0 339.395 3.853 20 0 EHADRM O=C([O-])c1ccc(CNCc2cccc(Cl)c2F)nc1C1CC1 ZINC000417705826 973967537 /nfs/dbraw/zinc/96/75/37/973967537.db2.gz OFHDLQFGIVFJLK-UHFFFAOYSA-N -1 0 334.778 3.740 20 0 EHADRM Cc1cc(Cl)c2ccccc2c1NC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000417797849 973968844 /nfs/dbraw/zinc/96/88/44/973968844.db2.gz STIGRFABYORISA-LLVKDONJSA-N -1 0 332.787 3.740 20 0 EHADRM CCCC1CCN(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)CC1 ZINC001603635724 973971065 /nfs/dbraw/zinc/97/10/65/973971065.db2.gz IYXAFUGGRKRGRN-IAGOWNOFSA-N -1 0 330.428 3.521 20 0 EHADRM CCCCc1ccc(OC(=O)c2cccc(OCC(=O)[O-])c2)cc1 ZINC001603653558 974021798 /nfs/dbraw/zinc/02/17/98/974021798.db2.gz ZWWLHQLCEGLIIQ-UHFFFAOYSA-N -1 0 328.364 3.712 20 0 EHADRM CCSCc1cccc(NC(=O)NCC(CC)(CC)C(=O)[O-])c1 ZINC000424381217 974022339 /nfs/dbraw/zinc/02/23/39/974022339.db2.gz LZVYFUSOGRFRMJ-UHFFFAOYSA-N -1 0 338.473 3.952 20 0 EHADRM Cc1ccc(Cl)c(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])c1C ZINC000424387129 974025193 /nfs/dbraw/zinc/02/51/93/974025193.db2.gz IRRYQFCCNQZHJB-GFCCVEGCSA-N -1 0 326.824 3.825 20 0 EHADRM CC(C)(CCNC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1)C(=O)[O-] ZINC000424390594 974026067 /nfs/dbraw/zinc/02/60/67/974026067.db2.gz OHBMEPLSAWPBAX-AWEZNQCLSA-N -1 0 338.835 3.591 20 0 EHADRM COc1ccc(Cl)cc1CN(C)C(=O)Nc1ccccc1C(=O)[O-] ZINC001604799096 974032508 /nfs/dbraw/zinc/03/25/08/974032508.db2.gz KBMUPDYAMMXDJD-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM C[C@H]1CCCC[C@H]1C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC000425236802 974039751 /nfs/dbraw/zinc/03/97/51/974039751.db2.gz GDIQTCHYTKUFQI-NKKGCODLSA-N -1 0 349.858 3.793 20 0 EHADRM O=C([O-])c1cccnc1NC(=O)[C@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC001606529118 974044365 /nfs/dbraw/zinc/04/43/65/974044365.db2.gz ZHNJCBMKOYQJTO-PWSUYJOCSA-N -1 0 348.761 3.705 20 0 EHADRM O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001605660660 974063220 /nfs/dbraw/zinc/06/32/20/974063220.db2.gz YMALOQBZRRWHFE-CKGHVQIYSA-N -1 0 345.395 3.547 20 0 EHADRM CCCOc1ccc(C(=O)OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC001603678725 974066540 /nfs/dbraw/zinc/06/65/40/974066540.db2.gz AKZUCEXPMDMEPH-UHFFFAOYSA-N -1 0 344.363 3.539 20 0 EHADRM Cc1cc(Cl)c(C(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1C ZINC000431990597 974082061 /nfs/dbraw/zinc/08/20/61/974082061.db2.gz GLMDQNRJNMXEDJ-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM Cc1ccc(C)c(SCC(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])c1 ZINC000432122724 974090181 /nfs/dbraw/zinc/09/01/81/974090181.db2.gz OWAATURPNIRDPP-KBXCAEBGSA-N -1 0 335.469 3.545 20 0 EHADRM C[C@H]1CN(C(=O)c2ccccc2OC2CCCCC2)CC[C@H]1C(=O)[O-] ZINC000449002865 974140292 /nfs/dbraw/zinc/14/02/92/974140292.db2.gz NMBOUGOFJUJIMW-GOEBONIOSA-N -1 0 345.439 3.581 20 0 EHADRM C[C@@H](NC(=O)c1sccc1C1CC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000455930984 974172413 /nfs/dbraw/zinc/17/24/13/974172413.db2.gz INWMNCATTXXHCE-MLGOLLRUSA-N -1 0 343.448 3.687 20 0 EHADRM Cc1ccccc1NC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000462893562 974186244 /nfs/dbraw/zinc/18/62/44/974186244.db2.gz GDPNVVPTSOJWOK-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)COc2cccc3ccccc32)c1 ZINC000467927166 974193105 /nfs/dbraw/zinc/19/31/05/974193105.db2.gz MTQAOMZMWWUAMX-UHFFFAOYSA-N -1 0 349.386 3.875 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H]2CCc3cc(Cl)ccc32)c(F)c1 ZINC000478849178 974211241 /nfs/dbraw/zinc/21/12/41/974211241.db2.gz BXWZMYIWZHIHDY-HNNXBMFYSA-N -1 0 333.746 3.595 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])cc2F)[C@H]1c1cccc(F)c1 ZINC000478857698 974213368 /nfs/dbraw/zinc/21/33/68/974213368.db2.gz ULTOTVJPTRMSFO-PIGZYNQJSA-N -1 0 345.345 3.886 20 0 EHADRM CCc1ccc([C@H]2CN([C@@H](C)c3ccc(C(=O)[O-])o3)CCO2)cc1 ZINC000514791407 974292499 /nfs/dbraw/zinc/29/24/99/974292499.db2.gz RGZWFLWJFOVWKI-SCLBCKFNSA-N -1 0 329.396 3.675 20 0 EHADRM O=C([O-])c1ccc(Cl)c(CN2CCO[C@@H](c3cccc(F)c3)C2)c1 ZINC000517034883 974314405 /nfs/dbraw/zinc/31/44/05/974314405.db2.gz BNXOTESBEGKPNL-QGZVFWFLSA-N -1 0 349.789 3.751 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(C(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000520216655 974337090 /nfs/dbraw/zinc/33/70/90/974337090.db2.gz GRKIMSVOBJLSNZ-JQHSSLGASA-N -1 0 341.451 3.602 20 0 EHADRM C[C@H](c1ccc(C(=O)[O-])o1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000521272984 974343681 /nfs/dbraw/zinc/34/36/81/974343681.db2.gz IDALUKNEOGXYLS-BZNIZROVSA-N -1 0 335.787 3.766 20 0 EHADRM Cc1c(C(=O)NCc2cccc(C(=O)[O-])c2)oc2c1c(C)ccc2C ZINC000532000873 974370464 /nfs/dbraw/zinc/37/04/64/974370464.db2.gz CUNRZVIKFYUZNT-UHFFFAOYSA-N -1 0 337.375 3.986 20 0 EHADRM CC(C)C[C@@H](CNC(=O)[C@@H](c1cccc(Cl)c1)C(C)C)C(=O)[O-] ZINC000538503734 974389008 /nfs/dbraw/zinc/38/90/08/974389008.db2.gz IFKOVPNXBUSVDQ-GOEBONIOSA-N -1 0 339.863 3.943 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000539683117 974401298 /nfs/dbraw/zinc/40/12/98/974401298.db2.gz AAVHTAHOBBVPDK-UHFFFAOYSA-N -1 0 333.428 3.581 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N2CC3(CCCC3)c3ccccc32)c1 ZINC000540774359 974407361 /nfs/dbraw/zinc/40/73/61/974407361.db2.gz KRQBEEDMCFDKIM-UHFFFAOYSA-N -1 0 335.403 3.786 20 0 EHADRM CC[C@H](C)[C@H](Nc1nc2cc(Br)ccc2o1)C(=O)[O-] ZINC001603938137 974425297 /nfs/dbraw/zinc/42/52/97/974425297.db2.gz GJSMACBXGIHMDQ-CPCISQLKSA-N -1 0 327.178 3.502 20 0 EHADRM CCc1ccc(N(CC(C)C)C(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)cc1 ZINC001603974867 974461192 /nfs/dbraw/zinc/46/11/92/974461192.db2.gz LYCITBWSENIMIB-AEFFLSMTSA-N -1 0 347.455 3.508 20 0 EHADRM CCc1ccc([C@H](C)NC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC001603975298 974466063 /nfs/dbraw/zinc/46/60/63/974466063.db2.gz DVXRFVMHDPWJHM-YOEHRIQHSA-N -1 0 332.444 3.739 20 0 EHADRM C[C@@H](CN(Cc1cc(C(C)(C)C)on1)Cc1ccccc1)C(=O)[O-] ZINC000563281983 974526080 /nfs/dbraw/zinc/52/60/80/974526080.db2.gz HEWCHFVVSUGIGR-AWEZNQCLSA-N -1 0 330.428 3.695 20 0 EHADRM COc1ccc(-c2nc(CN(C)[C@@H](CC(C)C)C(=O)[O-])cs2)cc1 ZINC000563282835 974527233 /nfs/dbraw/zinc/52/72/33/974527233.db2.gz UITRVRGMKVAHFH-INIZCTEOSA-N -1 0 348.468 3.750 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000563497892 974535226 /nfs/dbraw/zinc/53/52/26/974535226.db2.gz DIDWARCUQVTCRQ-ZDUSSCGKSA-N -1 0 337.847 3.812 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)CC2CCC(C(F)(F)F)CC2)CC1 ZINC000565929282 974591762 /nfs/dbraw/zinc/59/17/62/974591762.db2.gz LPKPLOTYOMMIBM-UHFFFAOYSA-N -1 0 349.393 3.849 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(NCC[C@H]3CCO[C@H](C)C3)c12 ZINC000566291624 974603446 /nfs/dbraw/zinc/60/34/46/974603446.db2.gz QNECBVYRRGSQLO-SKDRFNHKSA-N -1 0 349.456 3.623 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)NCc1ccc(OC2CCCCC2)cc1 ZINC000566483167 974612687 /nfs/dbraw/zinc/61/26/87/974612687.db2.gz KQAWUCRZSVZNSN-CQSZACIVSA-N -1 0 333.428 3.515 20 0 EHADRM C[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(Cl)c2)C[C@H](c2ccccc2)O1 ZINC000568061976 974657836 /nfs/dbraw/zinc/65/78/36/974657836.db2.gz YUSSFBZPQJBMHL-FSPWUOQZSA-N -1 0 345.826 3.928 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)[C@@H]1C[C@H]1C1CCC1)c1cccc2ccccc21 ZINC000568757108 974677594 /nfs/dbraw/zinc/67/75/94/974677594.db2.gz IORKAYQDLGWYGL-IPMKNSEASA-N -1 0 337.419 3.908 20 0 EHADRM Cc1nc(C(C)C)sc1[C@H](C)N(C)Cc1nc(C(=O)[O-])cs1 ZINC000569130121 974685796 /nfs/dbraw/zinc/68/57/96/974685796.db2.gz UFJJYGQVZRLEHI-JTQLQIEISA-N -1 0 339.486 3.923 20 0 EHADRM CCCC[C@@H](Sc1cc(COC)nc(C(C)(C)C)n1)C(=O)[O-] ZINC000570529151 974713687 /nfs/dbraw/zinc/71/36/87/974713687.db2.gz KMTRIRYOQCBRAB-GFCCVEGCSA-N -1 0 326.462 3.656 20 0 EHADRM CCc1ccc([C@H]2CN([C@H](C(=O)[O-])c3ccsc3)CCO2)cc1 ZINC000572168903 974742817 /nfs/dbraw/zinc/74/28/17/974742817.db2.gz PXIIEYRUZZLZRL-SJORKVTESA-N -1 0 331.437 3.510 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1ccccc1Cc1ccccc1)CC1CC1 ZINC000572489391 974748825 /nfs/dbraw/zinc/74/88/25/974748825.db2.gz RBTPDMZCZBKNQD-SFHVURJKSA-N -1 0 337.419 3.508 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1ccccc1Cc1ccccc1)CC1CC1 ZINC000572489390 974749201 /nfs/dbraw/zinc/74/92/01/974749201.db2.gz RBTPDMZCZBKNQD-GOSISDBHSA-N -1 0 337.419 3.508 20 0 EHADRM Cc1oc(CN(C)Cc2ccccc2OC(F)F)cc1C(=O)[O-] ZINC000573855622 974772434 /nfs/dbraw/zinc/77/24/34/974772434.db2.gz PFOKMFZWQFNBMM-UHFFFAOYSA-N -1 0 325.311 3.520 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)NCC1(Sc2ccccc2)CCCC1 ZINC000573981258 974774795 /nfs/dbraw/zinc/77/47/95/974774795.db2.gz LIGILCJGWRDGMD-AWEZNQCLSA-N -1 0 335.469 3.709 20 0 EHADRM COC(=O)c1ccccc1Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001211487877 1014217122 /nfs/dbraw/zinc/21/71/22/1014217122.db2.gz UKPMHNKNDBKSGT-UHFFFAOYSA-N -1 0 339.269 3.934 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)C2(C(F)(F)F)CCCCC2)c1 ZINC000576173047 974810484 /nfs/dbraw/zinc/81/04/84/974810484.db2.gz DTTFKXVYFRLYPW-UHFFFAOYSA-N -1 0 343.345 3.556 20 0 EHADRM CO[C@@H](C)c1nc(CN2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)cs1 ZINC000576958499 974826540 /nfs/dbraw/zinc/82/65/40/974826540.db2.gz LJSPYXDACHJGRZ-RCBQFDQVSA-N -1 0 346.452 3.641 20 0 EHADRM CCc1ccc([C@@H]2CN([C@H](C)c3cc(C)c(C(=O)[O-])o3)CCO2)cc1 ZINC000577285028 974833542 /nfs/dbraw/zinc/83/35/42/974833542.db2.gz HLFSABBQEJMVQO-KDOFPFPSSA-N -1 0 343.423 3.983 20 0 EHADRM Cc1ccc(C[C@H](Sc2ccc(C(F)(F)F)nn2)C(=O)[O-])cc1 ZINC000580785073 974899928 /nfs/dbraw/zinc/89/99/28/974899928.db2.gz NKNAFSWMPXOQLU-NSHDSACASA-N -1 0 342.342 3.592 20 0 EHADRM CCCO[C@@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC000581315637 974908589 /nfs/dbraw/zinc/90/85/89/974908589.db2.gz LUFYGIQVZSUVMZ-CQSZACIVSA-N -1 0 325.836 3.819 20 0 EHADRM C[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC(C)(C)O1 ZINC000583386829 974940624 /nfs/dbraw/zinc/94/06/24/974940624.db2.gz NSDLYWSVDHGJOG-NOZJJQNGSA-N -1 0 332.227 3.618 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)c1cc2cc(C(F)(F)F)ccc2s1 ZINC000583642544 974943753 /nfs/dbraw/zinc/94/37/53/974943753.db2.gz IOTDELJKZCEQKD-UHFFFAOYSA-N -1 0 345.342 3.857 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(C(=O)C2CC3(CCC3)C2)CC1 ZINC000584412448 974954601 /nfs/dbraw/zinc/95/46/01/974954601.db2.gz MRYGHDGRPSPCDJ-UHFFFAOYSA-N -1 0 341.451 3.746 20 0 EHADRM CCN(CCC(=O)[O-])Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000584726347 974958300 /nfs/dbraw/zinc/95/83/00/974958300.db2.gz WUWNIKJDUDXJER-UHFFFAOYSA-N -1 0 338.860 3.684 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)C2CCC3(CC3)CC2)c1 ZINC000595245783 974993319 /nfs/dbraw/zinc/99/33/19/974993319.db2.gz WAQBRVHCBLWGAY-UHFFFAOYSA-N -1 0 333.453 3.913 20 0 EHADRM C[C@@H](S[C@H](C)C(=O)Nc1ccccc1Cc1ccccc1)C(=O)[O-] ZINC000597026088 975000395 /nfs/dbraw/zinc/00/03/95/975000395.db2.gz LGBFLEOUNZWTGH-ZIAGYGMSSA-N -1 0 343.448 3.811 20 0 EHADRM CCSCc1ccc(NC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC000600964909 975012514 /nfs/dbraw/zinc/01/25/14/975012514.db2.gz HNWPKFBUJFDNSE-SWLSCSKDSA-N -1 0 336.457 3.514 20 0 EHADRM Cc1c(C(=O)N2CCCCC[C@@H]2C(=O)[O-])cccc1-c1ccccn1 ZINC000621569925 975036031 /nfs/dbraw/zinc/03/60/31/975036031.db2.gz NNJUJLBCJIZLJQ-GOSISDBHSA-N -1 0 338.407 3.526 20 0 EHADRM Cc1ccc(C)c(S([O-])=CC(=O)N[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000107966687 1014233070 /nfs/dbraw/zinc/23/30/70/1014233070.db2.gz IDEKHUAVDSJRKZ-LFVRLGFBSA-N -1 0 349.883 3.942 20 0 EHADRM Cc1ccccc1C[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000630100936 975101270 /nfs/dbraw/zinc/10/12/70/975101270.db2.gz IAXLWORETODREL-ZFWWWQNUSA-N -1 0 331.437 3.567 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)c1cccs1 ZINC000630101432 975101335 /nfs/dbraw/zinc/10/13/35/975101335.db2.gz KVQXCKFVNHTLJJ-OAGGEKHMSA-N -1 0 343.448 3.964 20 0 EHADRM Cc1ccccc1C1(C(=O)N2CCC(CC(=O)[O-])CC2)CCCC1 ZINC000630099860 975101372 /nfs/dbraw/zinc/10/13/72/975101372.db2.gz DREPLVAJLNNNBU-UHFFFAOYSA-N -1 0 329.440 3.520 20 0 EHADRM Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000630129714 975114853 /nfs/dbraw/zinc/11/48/53/975114853.db2.gz DEZHEPSDHJTHQJ-WQANXHIZSA-N -1 0 337.419 3.677 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)[C@@H]1Cc2ccc(Cl)cc21)c1ccccc1 ZINC000630131117 975116397 /nfs/dbraw/zinc/11/63/97/975116397.db2.gz MCAVKBGTNHMOGW-YMRXKLBXSA-N -1 0 343.810 3.558 20 0 EHADRM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2cncc(C(=O)[O-])c2)cc1 ZINC000630169718 975141106 /nfs/dbraw/zinc/14/11/06/975141106.db2.gz FHCMUCWPISKPGJ-KBXCAEBGSA-N -1 0 338.407 3.702 20 0 EHADRM COc1cc(NC(=O)[C@@H](C)Cc2ccccc2C)ccc1C(=O)[O-] ZINC000630185105 975146938 /nfs/dbraw/zinc/14/69/38/975146938.db2.gz WUBONBTVHZWIDD-ZDUSSCGKSA-N -1 0 327.380 3.519 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC000630185305 975147084 /nfs/dbraw/zinc/14/70/84/975147084.db2.gz ZLZBJODJUNGLAJ-LSDHHAIUSA-N -1 0 343.354 3.665 20 0 EHADRM O=C([O-])c1ccc2c(c1)[C@H](CNC(=O)[C@@H]1CCCC13CC3)CCC2 ZINC000630206839 975159049 /nfs/dbraw/zinc/15/90/49/975159049.db2.gz MVRTVKNZSWLXQV-RDJZCZTQSA-N -1 0 327.424 3.501 20 0 EHADRM O=C([O-])Cc1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC000630232744 975179802 /nfs/dbraw/zinc/17/98/02/975179802.db2.gz NQXZVNUOISIUFI-OKZBNKHCSA-N -1 0 329.440 3.536 20 0 EHADRM O=C([O-])Cc1ccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC000630232740 975179978 /nfs/dbraw/zinc/17/99/78/975179978.db2.gz NQXZVNUOISIUFI-FGTMMUONSA-N -1 0 329.440 3.536 20 0 EHADRM CC[C@H](C)[C@H](C(=O)NCc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC000630234448 975181289 /nfs/dbraw/zinc/18/12/89/975181289.db2.gz MHEYSSMPMOVHHH-YWZLYKJASA-N -1 0 339.435 3.760 20 0 EHADRM CC[C@@H](C)[C@@H](C(=O)NCc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC000630234443 975181362 /nfs/dbraw/zinc/18/13/62/975181362.db2.gz MHEYSSMPMOVHHH-FOIQADDNSA-N -1 0 339.435 3.760 20 0 EHADRM CCCC[C@@H](C(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1)C(C)C ZINC000630240762 975185667 /nfs/dbraw/zinc/18/56/67/975185667.db2.gz GHSDEWCOIANHKH-CYBMUJFWSA-N -1 0 335.419 3.871 20 0 EHADRM CC[C@H](C)[C@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC000630255201 975198137 /nfs/dbraw/zinc/19/81/37/975198137.db2.gz FMLUSYXAGRHGHO-UWVGGRQHSA-N -1 0 329.343 3.649 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)NCC[C@H]1CC=CCC1)C(=O)[O-] ZINC000630262108 975205981 /nfs/dbraw/zinc/20/59/81/975205981.db2.gz JPLCOPFSXDSTQX-KGLIPLIRSA-N -1 0 333.453 3.728 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1c[nH]cc1-c1ccccc1)C1CCCCC1 ZINC000630265552 975209173 /nfs/dbraw/zinc/20/91/73/975209173.db2.gz RUJJQQVVNSMOMT-KRWDZBQOSA-N -1 0 340.423 3.693 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc(Cl)ccc2Cl)[C@@H]2CCC[C@@H]21 ZINC000630275738 975220452 /nfs/dbraw/zinc/22/04/52/975220452.db2.gz UHOFBUGWADEGSP-JTNHKYCSSA-N -1 0 342.222 3.709 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)c1 ZINC000630293942 975234320 /nfs/dbraw/zinc/23/43/20/975234320.db2.gz FZQONBNXRLGIRC-PKOBYXMFSA-N -1 0 337.419 3.770 20 0 EHADRM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cccc(CC(=O)[O-])c1 ZINC000630293110 975234386 /nfs/dbraw/zinc/23/43/86/975234386.db2.gz LKHJUBICHFGIKG-QGZVFWFLSA-N -1 0 345.826 3.718 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)NCC1(C(F)(F)F)CCCC1 ZINC000630303210 975240991 /nfs/dbraw/zinc/24/09/91/975240991.db2.gz MJHBNJVXRNTIGW-UHFFFAOYSA-N -1 0 343.345 3.556 20 0 EHADRM CCOc1ccc(N(CC2CC2)C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000630304274 975241505 /nfs/dbraw/zinc/24/15/05/975241505.db2.gz GNCYWNLPONGLKM-HOTGVXAUSA-N -1 0 345.439 3.719 20 0 EHADRM C[C@@H](NCc1ccc(CC(F)(F)F)cc1)c1ncc(C(=O)[O-])s1 ZINC000630462740 975266263 /nfs/dbraw/zinc/26/62/63/975266263.db2.gz RIQCIUKIHMTHOR-SECBINFHSA-N -1 0 344.358 3.797 20 0 EHADRM CC(C)(C)c1ccc(Cl)cc1NC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000630567105 975267673 /nfs/dbraw/zinc/26/76/73/975267673.db2.gz COVGDPQUZJOTGN-NSHDSACASA-N -1 0 338.835 3.966 20 0 EHADRM CSc1ccc(NC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1Cl ZINC000630561336 975267922 /nfs/dbraw/zinc/26/79/22/975267922.db2.gz FUBZGRLARRUCMV-GXSJLCMTSA-N -1 0 342.848 3.636 20 0 EHADRM COc1ccc2c(CC(=O)Nc3cccc(C(=O)[O-])c3C)coc2c1 ZINC000642147336 975289526 /nfs/dbraw/zinc/28/95/26/975289526.db2.gz AKKZHXYQROWTPP-UHFFFAOYSA-N -1 0 339.347 3.629 20 0 EHADRM COc1cc([C@@H](C)Nc2ccc(C(=O)[O-])cn2)ccc1OC(C)C ZINC000647448457 975361559 /nfs/dbraw/zinc/36/15/59/975361559.db2.gz KZQZXAOECKMDJZ-GFCCVEGCSA-N -1 0 330.384 3.749 20 0 EHADRM C[C@H](NCc1cscc1Br)c1ncc(C(=O)[O-])s1 ZINC000647650222 975372585 /nfs/dbraw/zinc/37/25/85/975372585.db2.gz SKEQWOUWPUXDKX-LURJTMIESA-N -1 0 347.259 3.516 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000648047784 975379845 /nfs/dbraw/zinc/37/98/45/975379845.db2.gz OUCGUJXMGXWTAL-GFCCVEGCSA-N -1 0 347.367 3.888 20 0 EHADRM CCCC[C@H](C)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000649358038 975407546 /nfs/dbraw/zinc/40/75/46/975407546.db2.gz GEJQFQOLWZYYKX-LBPRGKRZSA-N -1 0 328.412 3.577 20 0 EHADRM Cc1ccccc1[C@H](C(=O)[O-])N1CCO[C@H](c2ccccc2Cl)C1 ZINC000652409681 975524588 /nfs/dbraw/zinc/52/45/88/975524588.db2.gz HLXPRPCATVXVJE-ZWKOTPCHSA-N -1 0 345.826 3.848 20 0 EHADRM CO[C@H](C[N@H+](CCC(=O)[O-])Cc1cccc(F)c1F)c1ccccc1 ZINC000652483681 975551227 /nfs/dbraw/zinc/55/12/27/975551227.db2.gz XCLMMMCQBWXMOC-QGZVFWFLSA-N -1 0 349.377 3.629 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2cccc(CC(=O)[O-])c2)C1 ZINC000653644590 975614252 /nfs/dbraw/zinc/61/42/52/975614252.db2.gz YEUBSAYOXZMNTB-ACJLOTCBSA-N -1 0 341.382 3.676 20 0 EHADRM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)c1cccc(CC(=O)[O-])c1 ZINC000653644460 975614343 /nfs/dbraw/zinc/61/43/43/975614343.db2.gz NUKGECMAJCNAEA-QWHCGFSZSA-N -1 0 341.382 3.601 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)CCCc2c(F)cccc2F)c1 ZINC000655540095 975622835 /nfs/dbraw/zinc/62/28/35/975622835.db2.gz XVEZMDXTTDVNNK-UHFFFAOYSA-N -1 0 347.361 3.943 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc(C(F)F)cc1F)C1CCCCC1 ZINC000656234417 975649302 /nfs/dbraw/zinc/64/93/02/975649302.db2.gz HSPILFALUYYMGM-UHFFFAOYSA-N -1 0 329.318 3.623 20 0 EHADRM CCc1cc(C(=O)NCC2(C(=O)[O-])CC2)sc1-c1ccccc1 ZINC000656241241 975653246 /nfs/dbraw/zinc/65/32/46/975653246.db2.gz JGESUABYHGCTRF-UHFFFAOYSA-N -1 0 329.421 3.572 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)NCc1cccc(Oc2ccccc2F)c1 ZINC000656244048 975655079 /nfs/dbraw/zinc/65/50/79/975655079.db2.gz ABZMPUAGQZSLOC-ZDUSSCGKSA-N -1 0 345.370 3.735 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cccc3c2OC(C)(C)C3)c1 ZINC000656250593 975657965 /nfs/dbraw/zinc/65/79/65/975657965.db2.gz IEFZLZGPDBWRBI-GFCCVEGCSA-N -1 0 339.391 3.841 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@H](C)CC(C)(C)c1ccccc1 ZINC000659121965 975721938 /nfs/dbraw/zinc/72/19/38/975721938.db2.gz OCIMRQJODVFXAT-GFCCVEGCSA-N -1 0 329.396 3.772 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C[C@@]12CCCC[C@@H]1C2(F)F ZINC000659129926 975729480 /nfs/dbraw/zinc/72/94/80/975729480.db2.gz BSYHXRODYBTDLV-YOEHRIQHSA-N -1 0 337.366 3.559 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000659144805 975744347 /nfs/dbraw/zinc/74/43/47/975744347.db2.gz FCDGQRNHXIGAHB-ZUZCIYMTSA-N -1 0 331.343 3.649 20 0 EHADRM Cc1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1C ZINC000659145300 975745872 /nfs/dbraw/zinc/74/58/72/975745872.db2.gz OEPFEWCCUVDAPM-ZWKOTPCHSA-N -1 0 339.391 3.509 20 0 EHADRM CC[C@@](NC(=O)[C@@H](C)Cc1ccco1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000659147881 975748097 /nfs/dbraw/zinc/74/80/97/975748097.db2.gz FAYALXUCFMVFDA-SGTLLEGYSA-N -1 0 349.814 3.618 20 0 EHADRM CC(C)Oc1c(NC(=O)N2CC(C)(C)C[C@@H]2C)cccc1C(=O)[O-] ZINC001591741170 975749963 /nfs/dbraw/zinc/74/99/63/975749963.db2.gz CHGBXOZGPCAWSS-LBPRGKRZSA-N -1 0 334.416 3.824 20 0 EHADRM CC1(C)CC[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000659153114 975753111 /nfs/dbraw/zinc/75/31/11/975753111.db2.gz XDJJMQIMJWDBQR-IRXDYDNUSA-N -1 0 325.408 3.908 20 0 EHADRM CCCC[C@H](CC)CC(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC000659168020 975767382 /nfs/dbraw/zinc/76/73/82/975767382.db2.gz JPEPDSCRZSTZIW-XQQFMLRXSA-N -1 0 337.382 3.705 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N2CCCC3(CCCC3)CC2)cc1 ZINC000659173627 975771230 /nfs/dbraw/zinc/77/12/30/975771230.db2.gz PQYLWSUKZXNJPH-UHFFFAOYSA-N -1 0 329.440 3.890 20 0 EHADRM C[C@H](C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21)c1cccs1 ZINC000659182318 975776693 /nfs/dbraw/zinc/77/66/93/975776693.db2.gz LJPVMCBYZRJRGI-WFASDCNBSA-N -1 0 343.448 3.786 20 0 EHADRM O=C([O-])c1ccc2c(c1)[C@@H](CNC(=O)[C@@H]1CC13CCCC3)CCC2 ZINC000659184066 975779727 /nfs/dbraw/zinc/77/97/27/975779727.db2.gz IDNJLYQKOGINDH-WBVHZDCISA-N -1 0 327.424 3.501 20 0 EHADRM CC(C)Oc1c(NC(=O)[C@@H]2C[C@H]2c2ccccc2)cccc1C(=O)[O-] ZINC001591746568 975784918 /nfs/dbraw/zinc/78/49/18/975784918.db2.gz LSSUBCLIVHAJPO-JKSUJKDBSA-N -1 0 339.391 3.914 20 0 EHADRM CC(C)Oc1c(NC(=O)NCC2=CCCCC2)cccc1C(=O)[O-] ZINC001591747367 975791426 /nfs/dbraw/zinc/79/14/26/975791426.db2.gz LXTFVQNRRJEZFT-UHFFFAOYSA-N -1 0 332.400 3.794 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC000659208217 975818716 /nfs/dbraw/zinc/81/87/16/975818716.db2.gz GDQNXVSKTZQYNG-LLVKDONJSA-N -1 0 341.860 3.683 20 0 EHADRM CCc1cc(C(=O)N[C@@](C)(CCF)C(=O)[O-])sc1-c1ccccc1 ZINC000659216422 975827524 /nfs/dbraw/zinc/82/75/24/975827524.db2.gz WZHGOZBJRVQLLU-SFHVURJKSA-N -1 0 349.427 3.910 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659230396 975840887 /nfs/dbraw/zinc/84/08/87/975840887.db2.gz KGFJBMHESAZYOB-OKILXGFUSA-N -1 0 337.375 3.830 20 0 EHADRM C[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCC(=O)[O-] ZINC000659232297 975842374 /nfs/dbraw/zinc/84/23/74/975842374.db2.gz GXLLZLSGRYRISF-INIZCTEOSA-N -1 0 325.408 3.511 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NC1CCC=CCC1 ZINC001591768013 975887159 /nfs/dbraw/zinc/88/71/59/975887159.db2.gz YJRZJAIVRCOOMP-UHFFFAOYSA-N -1 0 332.400 3.792 20 0 EHADRM CC(C)Oc1ccc(CCCOC(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001591776555 975921787 /nfs/dbraw/zinc/92/17/87/975921787.db2.gz AEOXNYZOSJNUHH-UHFFFAOYSA-N -1 0 332.352 3.555 20 0 EHADRM Cc1ccc([C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)C2)c(C)c1 ZINC000668322542 975997237 /nfs/dbraw/zinc/99/72/37/975997237.db2.gz ZBXPSBQGGDWXDC-BRWVUGGUSA-N -1 0 329.440 3.510 20 0 EHADRM CC(C)Oc1cccc(OC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC001591795825 976002910 /nfs/dbraw/zinc/00/29/10/976002910.db2.gz NUHROECKQIRVJK-UHFFFAOYSA-N -1 0 332.396 3.804 20 0 EHADRM Cc1ccc(CCC(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)c(C)c1 ZINC000669436613 976005383 /nfs/dbraw/zinc/00/53/83/976005383.db2.gz WZAHRCTWTBGYID-GOSISDBHSA-N -1 0 337.419 3.841 20 0 EHADRM Cc1ccc(CCC(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)c(C)c1 ZINC000669436614 976005466 /nfs/dbraw/zinc/00/54/66/976005466.db2.gz WZAHRCTWTBGYID-SFHVURJKSA-N -1 0 337.419 3.841 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC000675993439 976024120 /nfs/dbraw/zinc/02/41/20/976024120.db2.gz KFQHLQZBGIBZRG-UHFFFAOYSA-N -1 0 333.359 3.740 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001591804347 976028269 /nfs/dbraw/zinc/02/82/69/976028269.db2.gz BKQSFCQRGBGCOC-SNVBAGLBSA-N -1 0 349.412 3.511 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)C[C@@H]2CCCC[C@H]2C)cc1 ZINC000678973958 976032501 /nfs/dbraw/zinc/03/25/01/976032501.db2.gz QPIRMRHJQPISHY-KMFMINBZSA-N -1 0 333.428 3.544 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000679100700 976043581 /nfs/dbraw/zinc/04/35/81/976043581.db2.gz DMGPNEUAGTTZRR-MJBXVCDLSA-N -1 0 335.469 3.509 20 0 EHADRM CCn1cc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)c2ccccc21 ZINC000679102985 976044849 /nfs/dbraw/zinc/04/48/49/976044849.db2.gz MGKQAJWLDBHBGD-AWEZNQCLSA-N -1 0 342.439 3.624 20 0 EHADRM Cc1cc(F)cc2[nH]c(C(=O)N3CCC[C@@H](C(C)(C)C(=O)[O-])C3)cc21 ZINC000679103092 976044994 /nfs/dbraw/zinc/04/49/94/976044994.db2.gz PCEVHAOFRHSSFH-GFCCVEGCSA-N -1 0 346.402 3.578 20 0 EHADRM CC[C@@H](C)Oc1cc(CN[C@@H](C(=O)[O-])c2cccs2)ccc1OC ZINC000683173220 976080289 /nfs/dbraw/zinc/08/02/89/976080289.db2.gz HHQFXNRABYKJFQ-SJKOYZFVSA-N -1 0 349.452 3.850 20 0 EHADRM COc1ccc2cc(CN(C)C(=O)CC(C)(C)CC(=O)[O-])ccc2c1 ZINC000683300906 976082852 /nfs/dbraw/zinc/08/28/52/976082852.db2.gz QMFRKENYHVZQQC-UHFFFAOYSA-N -1 0 343.423 3.698 20 0 EHADRM C[C@@H](CC(=O)N(CC(=O)[O-])C1CCCCC1)c1ccc(F)cc1F ZINC000683309853 976085268 /nfs/dbraw/zinc/08/52/68/976085268.db2.gz RQDKIYFKNNDOOV-LBPRGKRZSA-N -1 0 339.382 3.704 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000683325673 976087115 /nfs/dbraw/zinc/08/71/15/976087115.db2.gz WEAUJBWAPZFSCP-KRWDZBQOSA-N -1 0 335.403 3.727 20 0 EHADRM CC(C)Sc1c(Cl)cccc1NC(=O)N[C@H](C)CC(=O)[O-] ZINC001591828539 976087303 /nfs/dbraw/zinc/08/73/03/976087303.db2.gz RQQSOYWLRSIDLQ-SECBINFHSA-N -1 0 330.837 3.825 20 0 EHADRM CC[C@H](C(=O)N[C@H](CC(=O)[O-])c1cccs1)c1ccc(OC)cc1 ZINC000685018617 976092875 /nfs/dbraw/zinc/09/28/75/976092875.db2.gz JKWRILQYXZAXLY-LSDHHAIUSA-N -1 0 347.436 3.583 20 0 EHADRM CC(C)Sc1ccc([C@@H](C)NC(=O)N[C@@H]2CC=C(C(=O)[O-])C2)cc1 ZINC001591829647 976094260 /nfs/dbraw/zinc/09/42/60/976094260.db2.gz VMYNQHCZGNRWLP-IUODEOHRSA-N -1 0 348.468 3.721 20 0 EHADRM CC(C)[C@@H]1C[C@@H](OC(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)c2ccccc21 ZINC001591846800 976130601 /nfs/dbraw/zinc/13/06/01/976130601.db2.gz XBMOCQCUEYTAEJ-IHETXDGRSA-N -1 0 346.423 3.684 20 0 EHADRM CC(C)[C@H]1CC[C@H](C(=O)N2C[C@@H](C(=O)[O-])Cc3ccccc32)CC1 ZINC001591907801 976316015 /nfs/dbraw/zinc/31/60/15/976316015.db2.gz ZVDBAPGUCYGRTQ-ZOBUZTSGSA-N -1 0 329.440 3.739 20 0 EHADRM CC(C)c1cc(C(=O)NC[C@H](CC2CC2)C(=O)[O-])c(O)c(C(C)C)c1 ZINC001591930682 976423367 /nfs/dbraw/zinc/42/33/67/976423367.db2.gz XEVFRHGLAUXBQP-HNNXBMFYSA-N -1 0 347.455 3.870 20 0 EHADRM CC(C)c1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)c(O)c1 ZINC001591942127 976465590 /nfs/dbraw/zinc/46/55/90/976465590.db2.gz MBQGPLBPQCRQQB-VYDXJSESSA-N -1 0 345.439 3.621 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)cn1 ZINC001591942145 976465809 /nfs/dbraw/zinc/46/58/09/976465809.db2.gz CRXOECWNBDPOCI-UHFFFAOYSA-N -1 0 336.750 3.948 20 0 EHADRM CC(C)c1ccc([C@@H](C)SCCc2cn(CC(=O)[O-])nn2)cc1 ZINC001591949584 976508567 /nfs/dbraw/zinc/50/85/67/976508567.db2.gz WYUITKJYYJLIEM-CYBMUJFWSA-N -1 0 333.457 3.523 20 0 EHADRM CCOc1ccc(-c2cncc(C3(C(=O)[O-])CC3)c2)cc1OCC ZINC000579733713 1014332273 /nfs/dbraw/zinc/33/22/73/1014332273.db2.gz GMRUXLVIPPMJMI-UHFFFAOYSA-N -1 0 327.380 3.662 20 0 EHADRM CC(C)c1ccc(NC(=O)c2cccc3c2OCC3)c(C(=O)[O-])c1 ZINC001591969091 976568500 /nfs/dbraw/zinc/56/85/00/976568500.db2.gz XLCUTZBUTNVRJC-UHFFFAOYSA-N -1 0 325.364 3.695 20 0 EHADRM CC(C)c1ccc(SCC(=O)OCc2ccc(C(=O)[O-])cn2)cc1 ZINC001591973503 976576500 /nfs/dbraw/zinc/57/65/00/976576500.db2.gz BWTDCURPGNJULF-UHFFFAOYSA-N -1 0 345.420 3.739 20 0 EHADRM CC(C)c1ccc(SCC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)cc1 ZINC001591973979 976582311 /nfs/dbraw/zinc/58/23/11/976582311.db2.gz LMSJOTDUIIUBMT-KXBFYZLASA-N -1 0 347.480 3.615 20 0 EHADRM CC(C)c1ccc(SCC(=O)N([C@@H](C)C(=O)[O-])C2CCC2)cc1 ZINC001591973981 976582522 /nfs/dbraw/zinc/58/25/22/976582522.db2.gz LPBNGGOXKYOGKN-ZDUSSCGKSA-N -1 0 335.469 3.756 20 0 EHADRM CC(C)c1ccc(SCC(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C)cc1 ZINC001591974493 976589670 /nfs/dbraw/zinc/58/96/70/976589670.db2.gz WLBUTJWOAYNZBU-UKRRQHHQSA-N -1 0 335.469 3.614 20 0 EHADRM CC(C)c1ccc2cc(C(=O)N[C@H](CC(C)(C)C)C(=O)[O-])[nH]c2c1 ZINC001591981123 976596295 /nfs/dbraw/zinc/59/62/95/976596295.db2.gz NVQUBJNEULKRHJ-MRXNPFEDSA-N -1 0 330.428 3.911 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)N[C@@H]1CC=C(C(=O)[O-])C1)CCC2 ZINC001591981570 976597650 /nfs/dbraw/zinc/59/76/50/976597650.db2.gz RPGIHBJARRAXHI-AEFFLSMTSA-N -1 0 342.439 3.660 20 0 EHADRM CC(C)c1cnc(NC(=O)N[C@H](CC(=O)[O-])c2cccs2)s1 ZINC001592002390 976650408 /nfs/dbraw/zinc/65/04/08/976650408.db2.gz FEFFDQBLUNKHKK-SECBINFHSA-N -1 0 339.442 3.666 20 0 EHADRM CC(C)c1cnc(NC(=O)N2CCc3cccc(C(=O)[O-])c3C2)s1 ZINC001592002389 976650622 /nfs/dbraw/zinc/65/06/22/976650622.db2.gz FCSDBRLBUXJCGA-UHFFFAOYSA-N -1 0 345.424 3.555 20 0 EHADRM CC(C)c1csc(NC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)n1 ZINC001592008591 976678931 /nfs/dbraw/zinc/67/89/31/976678931.db2.gz OJWXIFWTTQHZQJ-UHFFFAOYSA-N -1 0 345.424 3.555 20 0 EHADRM CC(C)c1nc(NC(=O)C[C@H]2OCc3ccccc32)sc1C(=O)[O-] ZINC001592021997 976718461 /nfs/dbraw/zinc/71/84/61/976718461.db2.gz KEXVLDDJBUZJBP-GFCCVEGCSA-N -1 0 346.408 3.565 20 0 EHADRM CC(C)c1nc(NC(=O)c2cnc(C3CC3)s2)sc1C(=O)[O-] ZINC001592028645 976729166 /nfs/dbraw/zinc/72/91/66/976729166.db2.gz PIJTWQBYWRVPLO-UHFFFAOYSA-N -1 0 337.426 3.551 20 0 EHADRM CC(C)c1nc(N[C@H](C[C@H]2CCCOC2)C(=O)[O-])cc(C(C)(C)C)n1 ZINC001592030161 976734063 /nfs/dbraw/zinc/73/40/63/976734063.db2.gz CAXRBYILRNVDEZ-ZIAGYGMSSA-N -1 0 349.475 3.579 20 0 EHADRM CC(C)c1sc(NC(=O)/C=C/c2ccccc2F)nc1C(=O)[O-] ZINC001592111625 976900664 /nfs/dbraw/zinc/90/06/64/976900664.db2.gz HLJWDWMFJOBXIM-BQYQJAHWSA-N -1 0 334.372 3.756 20 0 EHADRM CC(C)c1sc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)nc1C(=O)[O-] ZINC001592114895 976910771 /nfs/dbraw/zinc/91/07/71/976910771.db2.gz MQGMHOVAFAMYEZ-NEPJUHHUSA-N -1 0 330.409 3.707 20 0 EHADRM CC(C)c1sc(NC(=O)c2ccc3ncsc3c2)nc1C(=O)[O-] ZINC001592115024 976911932 /nfs/dbraw/zinc/91/19/32/976911932.db2.gz QZPPBYMWXOJTDG-UHFFFAOYSA-N -1 0 347.421 3.827 20 0 EHADRM CC(C)n1ccc(CSc2nc(C(F)(F)F)ccc2C(=O)[O-])n1 ZINC001592137736 976979637 /nfs/dbraw/zinc/97/96/37/976979637.db2.gz DELWORQRONPIJR-UHFFFAOYSA-N -1 0 345.346 3.868 20 0 EHADRM CC(C)n1nc(-c2ccco2)cc1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001592150097 977020589 /nfs/dbraw/zinc/02/05/89/977020589.db2.gz SVZYFZWCQYEKIZ-OLZOCXBDSA-N -1 0 345.399 3.554 20 0 EHADRM C[C@@H](/C=C\C(=O)[O-])NC(=O)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC001592202436 977218160 /nfs/dbraw/zinc/21/81/60/977218160.db2.gz CJLZTVOLWAAGPT-KPEAJPNUSA-N -1 0 347.317 3.516 20 0 EHADRM C[C@@H](CC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1c[nH]c2ccccc21 ZINC001592240328 977453020 /nfs/dbraw/zinc/45/30/20/977453020.db2.gz NWXDNVMPWBWZTO-ZDUSSCGKSA-N -1 0 348.402 3.902 20 0 EHADRM C[C@H](CC(=O)N[C@@H]1CCC[C@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001592246808 977476480 /nfs/dbraw/zinc/47/64/80/977476480.db2.gz WNXQOJVTUWVWPF-LERXQTSPSA-N -1 0 343.345 3.569 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccccc1)c1c[nH]c2ccccc21 ZINC001592258324 977495110 /nfs/dbraw/zinc/49/51/10/977495110.db2.gz AYFZNSFFLIPYNK-ORAYPTAESA-N -1 0 336.391 3.604 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)[C@H](c1ccncc1)C1CCCCC1)C1CC1 ZINC001592277477 977554624 /nfs/dbraw/zinc/55/46/24/977554624.db2.gz CBYFJFQLLZRIRT-ICSRJNTNSA-N -1 0 344.455 3.505 20 0 EHADRM C[C@H](CC(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1)c1ccccc1 ZINC001592278255 977561798 /nfs/dbraw/zinc/56/17/98/977561798.db2.gz RRCXSQJCFNNHLE-SNVBAGLBSA-N -1 0 330.409 3.851 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)c1ccc(-c2cccs2)s1)C1CC1 ZINC001592304925 977668688 /nfs/dbraw/zinc/66/86/88/977668688.db2.gz SQJATHADPKLFGF-INIZCTEOSA-N -1 0 335.450 3.850 20 0 EHADRM Cc1coc2ccc(NC(=O)N(C)C3(C(=O)[O-])CCCCC3)cc12 ZINC000654797072 1014417523 /nfs/dbraw/zinc/41/75/23/1014417523.db2.gz OJUPRAUHHHGINT-UHFFFAOYSA-N -1 0 330.384 3.992 20 0 EHADRM C[C@@H](NC(=O)[C@@H](C)CC(=O)[O-])c1ccc(-c2ccc(F)cc2)cc1 ZINC001592344206 977797902 /nfs/dbraw/zinc/79/79/02/977797902.db2.gz AASJPHHPHVOGTF-QWHCGFSZSA-N -1 0 329.371 3.781 20 0 EHADRM CC(C)c1ccc(C2(CNC(=O)[C@@H](C)CC(=O)[O-])CCCC2)cc1 ZINC001592351498 977826306 /nfs/dbraw/zinc/82/63/06/977826306.db2.gz MJIPOISSXKVHGL-HNNXBMFYSA-N -1 0 331.456 3.849 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N(Cc1ccco1)c1cccc(Cl)c1 ZINC001592370447 977884905 /nfs/dbraw/zinc/88/49/05/977884905.db2.gz JJIQTDPJGCCARV-LBPRGKRZSA-N -1 0 335.787 3.967 20 0 EHADRM C[C@H](CC(=O)[O-])SC[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001592422675 978037537 /nfs/dbraw/zinc/03/75/37/978037537.db2.gz VQQSAGZGRUEYIO-OLZOCXBDSA-N -1 0 331.478 3.620 20 0 EHADRM C[C@H](CC(=O)Oc1ccc(N(C)C)c(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001592434097 978071206 /nfs/dbraw/zinc/07/12/06/978071206.db2.gz SIGUULWYVFRCPM-GFCCVEGCSA-N -1 0 345.370 3.689 20 0 EHADRM C[C@@H](CC(N)=O)c1ccc(NCc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001592452620 978146325 /nfs/dbraw/zinc/14/63/25/978146325.db2.gz PNJYEQRECFOYKM-NSHDSACASA-N -1 0 346.814 3.629 20 0 EHADRM C[C@@H](CCC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)c1ccccc1 ZINC001592471075 978228919 /nfs/dbraw/zinc/22/89/19/978228919.db2.gz VZGKGFXNGWRRKZ-LBPRGKRZSA-N -1 0 337.379 3.784 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)NCc1ccccc1CC(=O)[O-] ZINC001592490909 978282392 /nfs/dbraw/zinc/28/23/92/978282392.db2.gz HQHZNBLBKCMAQW-MRXNPFEDSA-N -1 0 339.435 3.589 20 0 EHADRM C[C@H](CCCc1cccnc1)NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001592492756 978288973 /nfs/dbraw/zinc/28/89/73/978288973.db2.gz ZKRCWRZDRSUIMA-GFCCVEGCSA-N -1 0 346.814 3.574 20 0 EHADRM C[C@@H](CCNC(=O)NCC1(CC(=O)[O-])CCCC1)c1ccccc1 ZINC001592512784 978339043 /nfs/dbraw/zinc/33/90/43/978339043.db2.gz DXCDYTRGQKJUPO-HNNXBMFYSA-N -1 0 332.444 3.515 20 0 EHADRM CCN(C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)c1ccccc1C(=O)[O-] ZINC000737051698 978377045 /nfs/dbraw/zinc/37/70/45/978377045.db2.gz BBAJWPGDLYWQKZ-UKRRQHHQSA-N -1 0 345.345 3.820 20 0 EHADRM C[C@@H](CCc1ccc(F)cc1)C(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001592537223 978411187 /nfs/dbraw/zinc/41/11/87/978411187.db2.gz HZTMECXEZVACCH-ZDUSSCGKSA-N -1 0 341.382 3.682 20 0 EHADRM C[C@H](CCc1ccc(F)cc1)C(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001592539581 978418547 /nfs/dbraw/zinc/41/85/47/978418547.db2.gz HQQDYAMLAKETIX-JLTOFOAXSA-N -1 0 349.446 3.934 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1 ZINC001592545729 978429574 /nfs/dbraw/zinc/42/95/74/978429574.db2.gz BQGJYTIEBNVXHE-PJIJBLCYSA-N -1 0 335.419 3.544 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)c1ccc(Oc2cccnc2)cc1 ZINC000118565864 1014498311 /nfs/dbraw/zinc/49/83/11/1014498311.db2.gz DWGAFEOESPXLRT-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM Cc1cc(NC(=S)Nc2ccc(F)cc2F)sc1C(=O)[O-] ZINC000738451846 978540269 /nfs/dbraw/zinc/54/02/69/978540269.db2.gz FPCKGPRBNXSTOW-UHFFFAOYSA-N -1 0 328.365 3.842 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)c1csc(Cl)c1)C(=O)[O-] ZINC001592604731 978546754 /nfs/dbraw/zinc/54/67/54/978546754.db2.gz MFPMXUODOAWUNQ-LLVKDONJSA-N -1 0 337.828 3.765 20 0 EHADRM C[C@H](CN(Cc1ccccc1)c1ccnc(C(C)(C)C)n1)C(=O)[O-] ZINC001592610080 978559964 /nfs/dbraw/zinc/55/99/64/978559964.db2.gz SGBZQVAJLIXJAX-CQSZACIVSA-N -1 0 327.428 3.501 20 0 EHADRM O=C([O-])CN(CCc1ccccc1)C(=O)/C=C\c1ccc(Cl)s1 ZINC000738603873 978570466 /nfs/dbraw/zinc/57/04/66/978570466.db2.gz FVRYAUOBMFTYNM-CLFYSBASSA-N -1 0 349.839 3.571 20 0 EHADRM Cc1cccc(NC(=O)CNc2ccc(F)c(NC(=O)[O-])c2)c1C ZINC000738734823 978598244 /nfs/dbraw/zinc/59/82/44/978598244.db2.gz ORYNRNHUMMYSOJ-UHFFFAOYSA-N -1 0 331.347 3.583 20 0 EHADRM CCOc1ccccc1C(F)(F)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000761651271 978713394 /nfs/dbraw/zinc/71/33/94/978713394.db2.gz ZPXOICGAGWMJQO-UHFFFAOYSA-N -1 0 335.306 3.514 20 0 EHADRM C/C(=C/c1cccc(Cl)c1)C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000761743650 978714578 /nfs/dbraw/zinc/71/45/78/978714578.db2.gz DMCJXOKIJWNKNJ-QFSNBGPKSA-N -1 0 343.810 3.728 20 0 EHADRM C/C(=C\C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1)c1ccc(F)cc1 ZINC000766827891 978725745 /nfs/dbraw/zinc/72/57/45/978725745.db2.gz CXSMAUGJZJJLDT-JICACKBISA-N -1 0 345.345 3.700 20 0 EHADRM CCc1ccc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])s1 ZINC000766899028 978728861 /nfs/dbraw/zinc/72/88/61/978728861.db2.gz OLQWSHOPABNABF-ZDUSSCGKSA-N -1 0 331.437 3.674 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000767200982 978736455 /nfs/dbraw/zinc/73/64/55/978736455.db2.gz QDVNVSQGMZJLLP-INIZCTEOSA-N -1 0 329.371 3.977 20 0 EHADRM COc1ccc([C@@H](C)N(C)C(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000811815040 978858616 /nfs/dbraw/zinc/85/86/16/978858616.db2.gz ZOVWZNJXZJDBKG-LLVKDONJSA-N -1 0 347.798 3.880 20 0 EHADRM CC[C@@H](NC(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccccc1OC ZINC000811816332 978860070 /nfs/dbraw/zinc/86/00/70/978860070.db2.gz UAVYCXIEMHZMTO-OAHLLOKOSA-N -1 0 347.798 3.928 20 0 EHADRM C[C@H](CNC(=O)c1cc(C(=O)[O-])ccc1Cl)Sc1ccccc1 ZINC000811819884 978863808 /nfs/dbraw/zinc/86/38/08/978863808.db2.gz XRPNIXSHCOPGSP-LLVKDONJSA-N -1 0 349.839 3.949 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)[C@H](C)c1ccccc1 ZINC000827670969 978963191 /nfs/dbraw/zinc/96/31/91/978963191.db2.gz AALZVABIPJKLBB-NWDGAFQWSA-N -1 0 330.359 3.838 20 0 EHADRM C/C=C(/C=C\C(=O)N[C@H](CC(=O)[O-])c1ccc(SC)cc1)CC ZINC000828543132 978985583 /nfs/dbraw/zinc/98/55/83/978985583.db2.gz QKQYKLPNGKLUJA-BNQVTZORSA-N -1 0 333.453 3.953 20 0 EHADRM Cc1ccc(NC(=O)[C@@H](C)CC(=O)c2ccccc2F)cc1C(=O)[O-] ZINC000832942136 979058139 /nfs/dbraw/zinc/05/81/39/979058139.db2.gz CUEFVFKNFHNPET-LBPRGKRZSA-N -1 0 343.354 3.680 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC001595016263 979069319 /nfs/dbraw/zinc/06/93/19/979069319.db2.gz SIQIHQIEWLHBLJ-AWEZNQCLSA-N -1 0 342.391 3.812 20 0 EHADRM CC[C@@H](C)n1nc(C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)cc1C ZINC001595021660 979098344 /nfs/dbraw/zinc/09/83/44/979098344.db2.gz BQSAFRMAEXHLRT-PWSUYJOCSA-N -1 0 334.372 3.680 20 0 EHADRM CC[C@H](C)n1nc(C(=O)Oc2ccc(Cl)cc2C(=O)[O-])cc1C ZINC001595021953 979100277 /nfs/dbraw/zinc/10/02/77/979100277.db2.gz FJMFLKCUCJQQHO-VIFPVBQESA-N -1 0 336.775 3.733 20 0 EHADRM CC(C)Oc1c(NC(=O)NC[C@H](C)CC(F)F)cccc1C(=O)[O-] ZINC001592682888 979107273 /nfs/dbraw/zinc/10/72/73/979107273.db2.gz HMTMKCTYOPGHJQ-SNVBAGLBSA-N -1 0 344.358 3.585 20 0 EHADRM CC[C@@H](C)n1nc(N[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])cc1C ZINC001595024521 979129027 /nfs/dbraw/zinc/12/90/27/979129027.db2.gz XAOLYMQKTNQUFV-ABAIWWIYSA-N -1 0 335.835 3.924 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)Nc2ccc(C(=O)[O-])c(OC)c2)c1C ZINC001595026000 979133306 /nfs/dbraw/zinc/13/33/06/979133306.db2.gz DRCZJRWHHUUFHR-JTQLQIEISA-N -1 0 346.387 3.513 20 0 EHADRM CC[C@H](C)n1ncc(NCc2cc(C(=O)[O-])c3n2CCCC3)c1C ZINC001595027106 979139287 /nfs/dbraw/zinc/13/92/87/979139287.db2.gz NXCFGUVHDUEMBF-LBPRGKRZSA-N -1 0 330.432 3.611 20 0 EHADRM CC[C@@H](CC(C)C)C(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001595035563 979186242 /nfs/dbraw/zinc/18/62/42/979186242.db2.gz HVGVFQOWDZBELO-STQMWFEESA-N -1 0 338.473 3.886 20 0 EHADRM CC[C@H](CC(C)C)C(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001595036297 979192606 /nfs/dbraw/zinc/19/26/06/979192606.db2.gz RHXGPEJZJJFUEJ-CJNGLKHVSA-N -1 0 331.412 3.617 20 0 EHADRM CC[C@H](CC(=O)NCCc1ccc(C(=O)[O-])cc1OC)C(C)(C)C ZINC001595037257 979205150 /nfs/dbraw/zinc/20/51/50/979205150.db2.gz WBZCVJYWTBGGAH-OAHLLOKOSA-N -1 0 335.444 3.515 20 0 EHADRM CC[C@@H](CC(F)(F)F)NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001595041898 979230672 /nfs/dbraw/zinc/23/06/72/979230672.db2.gz GGYPLMCHDTWSES-WCFLWFBJSA-N -1 0 344.333 3.727 20 0 EHADRM CC[C@H](CC(F)F)C(=O)N[C@@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001595042554 979236225 /nfs/dbraw/zinc/23/62/25/979236225.db2.gz OQWDRSBXVWCNNW-BZNIZROVSA-N -1 0 347.789 3.523 20 0 EHADRM C[C@](CNc1cc(Cl)nc(C2CCC2)n1)(C(=O)[O-])c1ccccc1 ZINC001592728969 979239921 /nfs/dbraw/zinc/23/99/21/979239921.db2.gz IOLLIFSPJLQZFT-GOSISDBHSA-N -1 0 345.830 3.852 20 0 EHADRM CC(C)(CCNC(=O)c1sccc1-c1ccc(F)cc1)C(=O)[O-] ZINC000836749988 979253855 /nfs/dbraw/zinc/25/38/55/979253855.db2.gz NTZVEPPRIDGQLH-UHFFFAOYSA-N -1 0 335.400 3.785 20 0 EHADRM CCC(CC)(CC(=O)[O-])C(=O)O[C@H](C)c1noc(-c2ccccc2)n1 ZINC001595047897 979262287 /nfs/dbraw/zinc/26/22/87/979262287.db2.gz OKOCWGIFZCALTB-GFCCVEGCSA-N -1 0 346.383 3.622 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H](c2ccccc2)C2CCCCC2)C1 ZINC000840942617 979279947 /nfs/dbraw/zinc/27/99/47/979279947.db2.gz NIIJLPSPIZQFSL-RCCFBDPRSA-N -1 0 329.440 3.925 20 0 EHADRM Cc1cc(NC2CCC(C(=O)[O-])CC2)ccc1OCC(F)(F)F ZINC000840994483 979292408 /nfs/dbraw/zinc/29/24/08/979292408.db2.gz ODHWXEZLWZXTLD-UHFFFAOYSA-N -1 0 331.334 3.991 20 0 EHADRM CCC(CC)(CCOC(=O)c1c(F)ccc2ccncc21)C(=O)[O-] ZINC001595059691 979309644 /nfs/dbraw/zinc/30/96/44/979309644.db2.gz LEARESOFHDMVEG-UHFFFAOYSA-N -1 0 333.359 3.812 20 0 EHADRM CCC(CC)(CNC(=O)[C@H](CCc1ccccc1)C(C)C)C(=O)[O-] ZINC001595064717 979327863 /nfs/dbraw/zinc/32/78/63/979327863.db2.gz KMBRNGFPHRNMQN-QGZVFWFLSA-N -1 0 333.472 3.899 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cc(C(=O)[O-])sc1C)SC ZINC001595070425 979339212 /nfs/dbraw/zinc/33/92/12/979339212.db2.gz UWXZFKIAJLAIAD-UHFFFAOYSA-N -1 0 330.475 3.798 20 0 EHADRM O=C([O-])CCCC(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000843339046 979342403 /nfs/dbraw/zinc/34/24/03/979342403.db2.gz BRCBVBGOCFBLBQ-QDAZHVTCSA-N -1 0 349.430 3.655 20 0 EHADRM CCC(CC)(NC(=O)c1ccc(Oc2ccc(C)cc2)cn1)C(=O)[O-] ZINC001595097734 979395256 /nfs/dbraw/zinc/39/52/56/979395256.db2.gz KHQHIKPFWCJWCI-UHFFFAOYSA-N -1 0 342.395 3.556 20 0 EHADRM CCC(CC)(NC(=O)c1cn(CC(C)C)c2ccccc12)C(=O)[O-] ZINC001595098126 979400192 /nfs/dbraw/zinc/40/01/92/979400192.db2.gz ZJEHXCYAWMXKOF-UHFFFAOYSA-N -1 0 330.428 3.671 20 0 EHADRM CCC(CC)[C@H]1C[C@H](NC(=O)Nc2ccc(C(=O)[O-])s2)CCO1 ZINC001595110516 979455767 /nfs/dbraw/zinc/45/57/67/979455767.db2.gz YZYFEYHVEDQRKR-VXGBXAGGSA-N -1 0 340.445 3.552 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)N([C@H](C)C(=O)[O-])C2CCC2)cc1 ZINC001595121565 979492752 /nfs/dbraw/zinc/49/27/52/979492752.db2.gz PTDXKLQEBIBHFG-CYBMUJFWSA-N -1 0 333.428 3.722 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)c1ccc(/C=C\C(=O)[O-])o1)C(C)C ZINC000851594201 979505435 /nfs/dbraw/zinc/50/54/35/979505435.db2.gz HSPOWXDSBJYLSG-LECLMCCNSA-N -1 0 327.380 3.813 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC001595125664 979509199 /nfs/dbraw/zinc/50/91/99/979509199.db2.gz FSIRZFPBQLWLOW-MLGOLLRUSA-N -1 0 339.382 3.813 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccc(/C=C\C(=O)[O-])o2)o1 ZINC000851595825 979509416 /nfs/dbraw/zinc/50/94/16/979509416.db2.gz LJIACRCNOLIUMY-PEVLQBLXSA-N -1 0 343.379 3.892 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1cccc(C(=O)[O-])c1Cl ZINC001595126003 979513839 /nfs/dbraw/zinc/51/38/39/979513839.db2.gz DXBCJHOYQOUOQX-UHFFFAOYSA-N -1 0 335.791 3.848 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC001595126046 979513983 /nfs/dbraw/zinc/51/39/83/979513983.db2.gz IIEQGWRLHLAOPI-INIZCTEOSA-N -1 0 348.374 3.674 20 0 EHADRM CC[C@@H](CC1CCCCC1)C(=O)NC[C@@H](Oc1ccccc1)C(=O)[O-] ZINC001595126737 979521052 /nfs/dbraw/zinc/52/10/52/979521052.db2.gz ZOJRJECKWHBLQN-FUHWJXTLSA-N -1 0 347.455 3.631 20 0 EHADRM CC[C@H](CCc1ccccc1)NC(=O)c1ccc(C(=O)[O-])cc1F ZINC001595129224 979531918 /nfs/dbraw/zinc/53/19/18/979531918.db2.gz FPBKOOPLBQPLMK-OAHLLOKOSA-N -1 0 329.371 3.665 20 0 EHADRM CC[C@H](CCc1ccccc1)NC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001595129502 979535286 /nfs/dbraw/zinc/53/52/86/979535286.db2.gz LOFSCHYGBVCMDL-GOSISDBHSA-N -1 0 325.408 3.834 20 0 EHADRM C[C@@H](SC[C@@H](C)C(=O)[O-])c1nnc(-c2ccccc2F)s1 ZINC001592825246 979541674 /nfs/dbraw/zinc/54/16/74/979541674.db2.gz SVQLTYXERLGRRB-RKDXNWHRSA-N -1 0 326.418 3.859 20 0 EHADRM O=C([O-])[C@@H]1CCN(C[C@@H](O)c2ccc(F)cc2Cl)c2ccccc21 ZINC000851706068 979571150 /nfs/dbraw/zinc/57/11/50/979571150.db2.gz BPLXIHYHZDFXCR-CXAGYDPISA-N -1 0 349.789 3.591 20 0 EHADRM CC[C@@](CNC(=O)C12CCC(CC1)C2(C)C)(C(=O)[O-])c1ccccc1 ZINC001595138700 979583529 /nfs/dbraw/zinc/58/35/29/979583529.db2.gz MOWVYIJHKBONEB-YFYMUDDPSA-N -1 0 343.467 3.752 20 0 EHADRM CC[C@@](CNC(=O)[C@@H](F)CC1CCCCC1)(C(=O)[O-])c1ccccc1 ZINC001595138926 979585055 /nfs/dbraw/zinc/58/50/55/979585055.db2.gz TTZQWXRVKXISPF-PXNSSMCTSA-N -1 0 349.446 3.844 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]2c2ccccc2)c2ccccc21 ZINC000852953134 979588503 /nfs/dbraw/zinc/58/85/03/979588503.db2.gz DQJURVJKDVXFLZ-NMLACTOBSA-N -1 0 349.430 4.000 20 0 EHADRM CC[C@H](CNC(=O)NCCCCC1(C(=O)[O-])CCC1)c1ccccc1 ZINC001595150667 979643732 /nfs/dbraw/zinc/64/37/32/979643732.db2.gz XKZBRZYBRFXJDO-MRXNPFEDSA-N -1 0 346.471 3.905 20 0 EHADRM CC[C@@H](CNC(=O)Nc1ccc2oc3ccccc3c2c1)C(=O)[O-] ZINC001595154196 979658163 /nfs/dbraw/zinc/65/81/63/979658163.db2.gz JSZFQAGJAFIJJB-NSHDSACASA-N -1 0 326.352 3.818 20 0 EHADRM C[C@H](CCc1ccc(F)cc1)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000864098605 979680201 /nfs/dbraw/zinc/68/02/01/979680201.db2.gz OEEAXYQZYVMHNN-KCMWZYNZSA-N -1 0 347.430 3.639 20 0 EHADRM CC(C)[C@H]1CCCN(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)C1 ZINC001592859899 979685476 /nfs/dbraw/zinc/68/54/76/979685476.db2.gz AFBQCEYXXYRRJC-ZBFHGGJFSA-N -1 0 332.444 3.850 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N2CC[C@@H]3CCCC[C@@H]3C2)cc1)C(=O)[O-] ZINC001592860537 979691232 /nfs/dbraw/zinc/69/12/32/979691232.db2.gz JHSLMXKIUXIMSE-HYVNUMGLSA-N -1 0 344.455 3.994 20 0 EHADRM COc1ccccc1-c1ccc(C(=O)N(CCC(=O)[O-])C(C)C)s1 ZINC000864116716 979709279 /nfs/dbraw/zinc/70/92/79/979709279.db2.gz HTWSBMZIWPNFAV-UHFFFAOYSA-N -1 0 347.436 3.749 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N[C@H]2CC23CCCCC3)cc1)C(=O)[O-] ZINC001592868301 979719063 /nfs/dbraw/zinc/71/90/63/979719063.db2.gz XNSNGAQXOVXJLQ-BBRMVZONSA-N -1 0 330.428 3.794 20 0 EHADRM C[C@@H](Cc1ccc(NCc2ccc(C(F)(F)F)cn2)cc1)C(=O)[O-] ZINC001592876862 979742142 /nfs/dbraw/zinc/74/21/42/979742142.db2.gz FHYRFYYDMZKVRA-NSHDSACASA-N -1 0 338.329 3.976 20 0 EHADRM COc1cc(C)cc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c1C ZINC000864149694 979759034 /nfs/dbraw/zinc/75/90/34/979759034.db2.gz VVNFUJLMOVHCMY-LBPRGKRZSA-N -1 0 327.380 3.752 20 0 EHADRM CC[C@H](COC(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2)C(=O)[O-] ZINC001595176606 979768339 /nfs/dbraw/zinc/76/83/39/979768339.db2.gz DQQZPPQSGIDZEK-OSNAKNMZSA-N -1 0 348.361 3.789 20 0 EHADRM CC(C)[C@@H]1C[C@H](NC(=O)c2ccc(/C=C\C(=O)[O-])o2)c2ccccc21 ZINC000864173465 979807666 /nfs/dbraw/zinc/80/76/66/979807666.db2.gz MXBQGTJZLJVOIG-WYUDQPECSA-N -1 0 339.391 3.992 20 0 EHADRM CC(C)c1ccc(CN(C)C(=O)c2ccc(/C=C\C(=O)[O-])o2)cc1 ZINC000864177473 979822058 /nfs/dbraw/zinc/82/20/58/979822058.db2.gz FKIMJWBHVFSPOE-LUAWRHEFSA-N -1 0 327.380 3.773 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCCN2C(=O)c1cncc(C(=O)[O-])c1 ZINC000864177809 979822196 /nfs/dbraw/zinc/82/21/96/979822196.db2.gz STCICEMPKXGFBS-UHFFFAOYSA-N -1 0 338.407 3.670 20 0 EHADRM CC[C@@H](COC(=O)c1sc(-c2ccccc2C)nc1C)C(=O)[O-] ZINC001595186983 979838394 /nfs/dbraw/zinc/83/83/94/979838394.db2.gz HPQKZVLKTCXBJS-LBPRGKRZSA-N -1 0 333.409 3.695 20 0 EHADRM CC(C)Cn1cc(C(=O)NCc2cc(C(=O)[O-])co2)c2ccccc21 ZINC000864193863 979852719 /nfs/dbraw/zinc/85/27/19/979852719.db2.gz WIEWFEXVBKVHCX-UHFFFAOYSA-N -1 0 340.379 3.519 20 0 EHADRM C[C@@H](Cc1ccsc1)N(C)C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001592907410 979854754 /nfs/dbraw/zinc/85/47/54/979854754.db2.gz YWMGDZRHNJDLCV-JTQLQIEISA-N -1 0 337.828 3.803 20 0 EHADRM CC1(C)C=Cc2cccc(NC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)c2O1 ZINC000864194907 979855072 /nfs/dbraw/zinc/85/50/72/979855072.db2.gz QZPDEYNQDZYPGA-KBPBESRZSA-N -1 0 329.396 3.700 20 0 EHADRM Cc1ccc(C(=O)N[C@@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])s1 ZINC000864197299 979864290 /nfs/dbraw/zinc/86/42/90/979864290.db2.gz XVAHVWBZWDDPHZ-INIZCTEOSA-N -1 0 337.828 3.526 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)CCc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000864197823 979866389 /nfs/dbraw/zinc/86/63/89/979866389.db2.gz MVFGSXLLYQBWQP-MRXNPFEDSA-N -1 0 344.238 3.686 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)c1cccc(SC(F)(F)F)c1)C1CC1 ZINC000864200563 979877300 /nfs/dbraw/zinc/87/73/00/979877300.db2.gz ASSIXEVEJGCTMC-AWEZNQCLSA-N -1 0 347.358 3.672 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@H]2C2CC2)c2ccccc21 ZINC000864226808 979914061 /nfs/dbraw/zinc/91/40/61/979914061.db2.gz RALOXFHFJLTBHS-HLLBOEOZSA-N -1 0 327.424 3.808 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000864226977 979914628 /nfs/dbraw/zinc/91/46/28/979914628.db2.gz SKIWHMIYUGSKGZ-VKJFTORMSA-N -1 0 345.439 3.577 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)CCCc2ccc(F)cc2)c2ccccc21 ZINC000864227240 979915718 /nfs/dbraw/zinc/91/57/18/979915718.db2.gz VQXQOGIZGKELCL-HNNXBMFYSA-N -1 0 341.382 3.754 20 0 EHADRM Cc1cccc([C@@H]2C[C@H]2C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c1 ZINC000864227591 979916680 /nfs/dbraw/zinc/91/66/80/979916680.db2.gz GANYNEYNFBNFIE-BPQIPLTHSA-N -1 0 335.403 3.704 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)C[C@@H](C)c2ccccc2)c1 ZINC000864227871 979917804 /nfs/dbraw/zinc/91/78/04/979917804.db2.gz HGHOOCUDSBQPRY-QAPCUYQASA-N -1 0 325.408 3.821 20 0 EHADRM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)Cc2cccc(C3CC3)c2)c1 ZINC000864232997 979930989 /nfs/dbraw/zinc/93/09/89/979930989.db2.gz TWQUHFOAKFWQEF-LJQANCHMSA-N -1 0 337.419 3.747 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC001595210329 979983489 /nfs/dbraw/zinc/98/34/89/979983489.db2.gz CUHZPXMZYABPMZ-GOEBONIOSA-N -1 0 331.437 3.567 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001595210410 979984285 /nfs/dbraw/zinc/98/42/85/979984285.db2.gz FSAKKFPAMXOWFB-MRXNPFEDSA-N -1 0 337.419 3.538 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(C)C(=O)NCC(CC)(CC)C(=O)[O-] ZINC001595212217 979997650 /nfs/dbraw/zinc/99/76/50/979997650.db2.gz YLFAKDODKVVYTL-INIZCTEOSA-N -1 0 334.460 3.540 20 0 EHADRM CC(F)(F)c1ccc(C(=O)N[C@@H](C(=O)[O-])C2CCCCC2)cc1 ZINC001592944504 980022710 /nfs/dbraw/zinc/02/27/10/980022710.db2.gz ZTXRLYAGGHSBMR-CQSZACIVSA-N -1 0 325.355 3.562 20 0 EHADRM CC[C@](NC(=O)[C@H](C)CC(C)C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595232846 980126687 /nfs/dbraw/zinc/12/66/87/980126687.db2.gz KGENGMXNDYSFNX-SJKOYZFVSA-N -1 0 325.836 3.828 20 0 EHADRM CC[C@](NC(=O)/C(F)=C/C1CCCCC1)(C(=O)[O-])c1ccccc1 ZINC001595232839 980126835 /nfs/dbraw/zinc/12/68/35/980126835.db2.gz JWMGHCMCXUIBLM-XCTGESOMSA-N -1 0 333.403 3.926 20 0 EHADRM C[C@@H](NC(=O)C(C)(C)C1CCCC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001592990047 980176887 /nfs/dbraw/zinc/17/68/87/980176887.db2.gz MXKQBFLKLFIHCD-PBHICJAKSA-N -1 0 331.456 3.651 20 0 EHADRM C[C@@H](NC(=O)C1(C)CCCCCC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001592994153 980200313 /nfs/dbraw/zinc/20/03/13/980200313.db2.gz QSBNRHODWLGHID-WBVHZDCISA-N -1 0 331.456 3.795 20 0 EHADRM C[C@@H](NC(=O)C12CCC(CC1)C2(C)C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001592999350 980212247 /nfs/dbraw/zinc/21/22/47/980212247.db2.gz YCJLYJRAMHBYFN-OOYBUDEJSA-N -1 0 343.467 3.651 20 0 EHADRM C[C@H](NC(=O)C12CCC(CC1)C2(C)C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001592999352 980213192 /nfs/dbraw/zinc/21/31/92/980213192.db2.gz YCJLYJRAMHBYFN-XXGLHCKMSA-N -1 0 343.467 3.651 20 0 EHADRM CC[C@H](NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)[C@H]1CC1(C)C ZINC001595252682 980222935 /nfs/dbraw/zinc/22/29/35/980222935.db2.gz PGVLLOWFZXCNDH-SKDRFNHKSA-N -1 0 326.343 3.609 20 0 EHADRM Cc1cc(C)cc([C@H](NCc2csc(C(F)(F)F)n2)C(=O)[O-])c1 ZINC000900032218 980238104 /nfs/dbraw/zinc/23/81/04/980238104.db2.gz QLKZPTJXXDLKIG-LBPRGKRZSA-N -1 0 344.358 3.694 20 0 EHADRM C[C@](NC(=O)/C=C\Sc1ccccc1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593009823 980239661 /nfs/dbraw/zinc/23/96/61/980239661.db2.gz ZAOKGGIMCUPLHW-YUIUBULTSA-N -1 0 345.395 3.548 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(C(=O)[O-])c2ccccc12)[C@H]1CCCO1 ZINC001595256870 980240597 /nfs/dbraw/zinc/24/05/97/980240597.db2.gz JQPQRPOSNXTKJE-DOTOQJQBSA-N -1 0 342.395 3.617 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(SC)c(C(=O)[O-])c1)c1ccncc1 ZINC001595257051 980243352 /nfs/dbraw/zinc/24/33/52/980243352.db2.gz NGIVEVMRCHPDNE-AWEZNQCLSA-N -1 0 345.424 3.775 20 0 EHADRM CC[C@](NC(=O)c1ccc(Cl)c(C)c1)(C(=O)[O-])c1ccccc1 ZINC001595269254 980284641 /nfs/dbraw/zinc/28/46/41/980284641.db2.gz WADDGTZZEBCGKJ-GOSISDBHSA-N -1 0 331.799 3.768 20 0 EHADRM CC[C@H](NC(=O)c1cccc(F)c1Sc1ccccc1)C(=O)[O-] ZINC001595270768 980286978 /nfs/dbraw/zinc/28/69/78/980286978.db2.gz PRVDHRLULLOJHG-AWEZNQCLSA-N -1 0 333.384 3.570 20 0 EHADRM CCc1oc(CN2CCO[C@@H](c3cccc(Cl)c3)C2)cc1C(=O)[O-] ZINC000901452332 980293756 /nfs/dbraw/zinc/29/37/56/980293756.db2.gz WVZSRRKUIHAXOS-QGZVFWFLSA-N -1 0 349.814 3.767 20 0 EHADRM CN(C)C(=O)c1ccc(N[C@@H]2CCC[C@@H](CCCC(=O)[O-])C2)cc1 ZINC000901470480 980302249 /nfs/dbraw/zinc/30/22/49/980302249.db2.gz QXDBBZRMGXOTGD-WMLDXEAASA-N -1 0 332.444 3.614 20 0 EHADRM CC[C@@H](N[C@@H](C)c1cc(C(=O)[O-])cs1)c1nnc2n1CCCCC2 ZINC001595278403 980310601 /nfs/dbraw/zinc/31/06/01/980310601.db2.gz DEVGOGVJOSCJIA-WCQYABFASA-N -1 0 348.472 3.566 20 0 EHADRM C[C@@H](NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1c(F)cccc1F ZINC001593049606 980338072 /nfs/dbraw/zinc/33/80/72/980338072.db2.gz FIWRJJZNEWRXOT-LLVKDONJSA-N -1 0 348.349 3.566 20 0 EHADRM CC[C@](NCc1c(Cl)cncc1Cl)(C(=O)[O-])c1ccccc1 ZINC001595298148 980413336 /nfs/dbraw/zinc/41/33/36/980413336.db2.gz AWUABSBBAXYFFG-MRXNPFEDSA-N -1 0 339.222 3.868 20 0 EHADRM CC[C@H](Nc1cc(C(F)(F)F)c(C(=O)[O-])cn1)c1c(C)noc1C ZINC001595316565 980484279 /nfs/dbraw/zinc/48/42/79/980484279.db2.gz GOFLIRDVFYPPPK-NSHDSACASA-N -1 0 343.305 3.967 20 0 EHADRM CC[C@H](Nc1ccc(N(C)C(=O)NC)cc1)c1ccc(C(=O)[O-])cc1 ZINC001595318187 980498458 /nfs/dbraw/zinc/49/84/58/980498458.db2.gz HDPQXVLEJVPFFH-KRWDZBQOSA-N -1 0 341.411 3.724 20 0 EHADRM O=C([O-])c1cc(NCc2ccccc2O)ccc1N1CCCCC1 ZINC000901774481 980504605 /nfs/dbraw/zinc/50/46/05/980504605.db2.gz JNNCNJMVHDVSTG-UHFFFAOYSA-N -1 0 326.396 3.693 20 0 EHADRM CC[C@@H](OC(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2)C(=O)[O-] ZINC001595335023 980586461 /nfs/dbraw/zinc/58/64/61/980586461.db2.gz HPZDWXOKZXHRHX-PDQOPDMNSA-N -1 0 334.334 3.542 20 0 EHADRM COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000471131752 1014673493 /nfs/dbraw/zinc/67/34/93/1014673493.db2.gz DRYBEJMVNOOMTE-UHFFFAOYSA-N -1 0 341.379 3.898 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001595355556 980702977 /nfs/dbraw/zinc/70/29/77/980702977.db2.gz CFIJUPKIFBIFNB-DOTOQJQBSA-N -1 0 339.476 3.512 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-] ZINC001595355689 980704613 /nfs/dbraw/zinc/70/46/13/980704613.db2.gz JONNOLAITLJDDC-LBPRGKRZSA-N -1 0 343.782 3.854 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)NC1(CCC(=O)[O-])CCCCC1 ZINC001595355919 980707301 /nfs/dbraw/zinc/70/73/01/980707301.db2.gz RHGBUAQYZWLQPY-MRXNPFEDSA-N -1 0 339.476 3.798 20 0 EHADRM O=C([O-])[C@H]1CCCCCN1Cc1csc(COc2ccccc2)n1 ZINC000902035879 980707574 /nfs/dbraw/zinc/70/75/74/980707574.db2.gz SAJZCXLFZKOJGT-MRXNPFEDSA-N -1 0 346.452 3.551 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)Oc1cc(C(=O)[O-])cc(F)c1C ZINC001595356353 980711517 /nfs/dbraw/zinc/71/15/17/980711517.db2.gz BVUPAQCOMVGBFV-INIZCTEOSA-N -1 0 346.354 3.904 20 0 EHADRM Cc1nn(C(C)C)cc1CN1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000902049007 980713957 /nfs/dbraw/zinc/71/39/57/980713957.db2.gz WHXCCWRTBDXJBQ-ROUUACIJSA-N -1 0 327.428 3.563 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)Nc1c(F)cccc1C(=O)[O-] ZINC001595356751 980715273 /nfs/dbraw/zinc/71/52/73/980715273.db2.gz JZKYNQOVUDRQDS-AWEZNQCLSA-N -1 0 331.343 3.628 20 0 EHADRM CCc1oc(CNCc2ccccc2Br)cc1C(=O)[O-] ZINC000902096768 980732186 /nfs/dbraw/zinc/73/21/86/980732186.db2.gz HSMHLOFJXIQGGT-UHFFFAOYSA-N -1 0 338.201 3.593 20 0 EHADRM CC[C@@H](c1ccc(F)cc1)n1cc(C2CCC(C(=O)[O-])CC2)nn1 ZINC001595359620 980743230 /nfs/dbraw/zinc/74/32/30/980743230.db2.gz FNVXVAYEUJDGNW-AJUCZRQESA-N -1 0 331.391 3.775 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cnc(C2CC2)s1 ZINC001595360496 980752574 /nfs/dbraw/zinc/75/25/74/980752574.db2.gz IJCCXAZBTVITLE-CQSZACIVSA-N -1 0 344.436 3.699 20 0 EHADRM O=C([O-])c1coc(CN[C@@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000902160630 980761966 /nfs/dbraw/zinc/76/19/66/980761966.db2.gz MYMFJXXHGFYKNB-ZDUSSCGKSA-N -1 0 331.265 3.900 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@H]1C[C@H]1C1CCCC1 ZINC001595361697 980764503 /nfs/dbraw/zinc/76/45/03/980764503.db2.gz MGCBYRHUEVIENW-OKZBNKHCSA-N -1 0 329.440 3.877 20 0 EHADRM C[C@H]1[C@H](Nc2cccc(NC(=O)c3ccoc3)c2)CC[C@H]1CC(=O)[O-] ZINC000902203489 980782149 /nfs/dbraw/zinc/78/21/49/980782149.db2.gz MTOPWSTYFUHFQG-IIYDPXPESA-N -1 0 342.395 3.833 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001595363765 980785605 /nfs/dbraw/zinc/78/56/05/980785605.db2.gz LMYKESAUCORDJS-KVNDZABWSA-N -1 0 327.380 3.991 20 0 EHADRM CC[C@H](c1ccccc1)N(CC)C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001595364370 980792899 /nfs/dbraw/zinc/79/28/99/980792899.db2.gz QRESXPVNVFSLSD-HSFUPAIVSA-N -1 0 344.455 3.669 20 0 EHADRM CC[C@H](c1ccncc1)N(C)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC001595364502 980794717 /nfs/dbraw/zinc/79/47/17/980794717.db2.gz WVHRNTBXXWXJTM-SUMWQHHRSA-N -1 0 341.411 3.885 20 0 EHADRM Cc1ccc(NCc2ccoc2C(=O)[O-])cc1NC(=O)C(C)(C)C ZINC000902238195 980795234 /nfs/dbraw/zinc/79/52/34/980795234.db2.gz HEQNRDUIERTYNM-UHFFFAOYSA-N -1 0 330.384 3.883 20 0 EHADRM CCc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(C)o1 ZINC000538013152 1032101458 /nfs/dbraw/zinc/10/14/58/1032101458.db2.gz PFFUNWMHVCQXOP-UHFFFAOYSA-N -1 0 344.230 3.714 20 0 EHADRM CCC1(CC)[C@H](NC(=O)Nc2cc(C)cc(C(=O)[O-])c2)[C@@H](C)[C@H]1OC ZINC001595373684 980875500 /nfs/dbraw/zinc/87/55/00/980875500.db2.gz NJWXZZXZZYHPEJ-DAXOMENPSA-N -1 0 348.443 3.654 20 0 EHADRM CCC1(CC)CCCN1C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC001595374945 980889664 /nfs/dbraw/zinc/88/96/64/980889664.db2.gz GOKZBPBICRAPCY-UHFFFAOYSA-N -1 0 333.428 3.562 20 0 EHADRM CCC1(CC)CCCN1C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001595375080 980891426 /nfs/dbraw/zinc/89/14/26/980891426.db2.gz PBWINDKFCKVALW-UHFFFAOYSA-N -1 0 325.796 3.620 20 0 EHADRM CC[C@@]1(CCc2ccccc2)CCCN1C(=O)c1cc(C(=O)[O-])co1 ZINC001595377071 980910573 /nfs/dbraw/zinc/91/05/73/980910573.db2.gz ZJYKZQGVSNNJNE-FQEVSTJZSA-N -1 0 341.407 3.995 20 0 EHADRM CCC1(c2ccccc2)CN(C(=O)Nc2ccc(CC(=O)[O-])cc2)C1 ZINC001595397874 980967495 /nfs/dbraw/zinc/96/74/95/980967495.db2.gz XQLGAYYLDBAFIQ-UHFFFAOYSA-N -1 0 338.407 3.509 20 0 EHADRM C[C@@H](C1CC1)[N@H+](Cc1cc(C(=O)[O-])ccc1Br)C1CC1 ZINC000903887239 981020744 /nfs/dbraw/zinc/02/07/44/981020744.db2.gz NPKHVNDDKVOGJN-JTQLQIEISA-N -1 0 338.245 3.910 20 0 EHADRM CC[C@H]1CC[C@@H](C)N1C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001595415656 981029517 /nfs/dbraw/zinc/02/95/17/981029517.db2.gz JIILNAHGZNQMAH-SCZZXKLOSA-N -1 0 328.771 3.972 20 0 EHADRM CCC1CCC(NC(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)(C(=O)[O-])CC1 ZINC001595420927 981039416 /nfs/dbraw/zinc/03/94/16/981039416.db2.gz QFNCWVMDHITKMV-NOILEWFWSA-N -1 0 347.430 3.859 20 0 EHADRM CCC1CCC(NC(=O)c2[nH]c3ccc(C)cc3c2C)(C(=O)[O-])CC1 ZINC001595422293 981041480 /nfs/dbraw/zinc/04/14/80/981041480.db2.gz MNHBMBXRGWQPOT-UHFFFAOYSA-N -1 0 342.439 3.938 20 0 EHADRM CCC1CCC(NC(=O)c2nsc3ccc(C)cc32)(C(=O)[O-])CC1 ZINC001595425033 981044202 /nfs/dbraw/zinc/04/42/02/981044202.db2.gz AEAJNSDKHGSCGY-UHFFFAOYSA-N -1 0 346.452 3.758 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1c1ccc(C(=O)[O-])n1C ZINC001595441893 981080966 /nfs/dbraw/zinc/08/09/66/981080966.db2.gz VHLUSLWPKCBYFL-VYDXJSESSA-N -1 0 346.471 3.993 20 0 EHADRM CC[C@H](CNC(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1)C(=O)[O-] ZINC000905054764 981087744 /nfs/dbraw/zinc/08/77/44/981087744.db2.gz CEAUYSRWLHPCDM-SNVBAGLBSA-N -1 0 346.349 3.759 20 0 EHADRM CC[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001595444540 981089219 /nfs/dbraw/zinc/08/92/19/981089219.db2.gz QTTDPVGYYSNVPV-CZUORRHYSA-N -1 0 347.459 3.883 20 0 EHADRM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001595446595 981093243 /nfs/dbraw/zinc/09/32/43/981093243.db2.gz ADRJFUHHPRWGOH-XHDPSFHLSA-N -1 0 339.819 3.962 20 0 EHADRM CCC(CC)n1ccc(CN[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)n1 ZINC000905386430 981105788 /nfs/dbraw/zinc/10/57/88/981105788.db2.gz RVHJXUQZWZVDCB-QGZVFWFLSA-N -1 0 333.407 3.607 20 0 EHADRM Cc1cc(CN[C@H](C)c2c(F)cccc2F)cc(C)c1OCC(=O)[O-] ZINC000905727642 981126343 /nfs/dbraw/zinc/12/63/43/981126343.db2.gz ORFXMDSPNLGXPQ-CYBMUJFWSA-N -1 0 349.377 3.896 20 0 EHADRM O=C([O-])c1cc2cccnc2c(N[C@@H]2CC[C@@H]3COCC[C@H]3C2)c1 ZINC000905761871 981146096 /nfs/dbraw/zinc/14/60/96/981146096.db2.gz UYBLAYQFUCHPHO-JGGQBBKZSA-N -1 0 326.396 3.550 20 0 EHADRM CCC(C)(C)c1ccccc1C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000907548621 981187577 /nfs/dbraw/zinc/18/75/77/981187577.db2.gz AEIOEJWDYMQLQX-MRXNPFEDSA-N -1 0 329.440 3.701 20 0 EHADRM Cc1ccsc1CCCC(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC000908238407 981287216 /nfs/dbraw/zinc/28/72/16/981287216.db2.gz VZQRPGSUJRZDBZ-INIZCTEOSA-N -1 0 345.464 3.581 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)C/C=C\c2ccc(F)cc2)CCC1 ZINC000908337710 981302768 /nfs/dbraw/zinc/30/27/68/981302768.db2.gz GLUYLMDFIVUQKR-HYXAFXHYSA-N -1 0 333.403 3.770 20 0 EHADRM CC(C)c1ccccc1OCC(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908338596 981303780 /nfs/dbraw/zinc/30/37/80/981303780.db2.gz LEXAFHGUTUJVRX-UHFFFAOYSA-N -1 0 347.455 3.730 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)C2(Cc3ccccc3)CC2)CCC1 ZINC000908340092 981304727 /nfs/dbraw/zinc/30/47/27/981304727.db2.gz VVBCRJJMIFOCAO-UHFFFAOYSA-N -1 0 329.440 3.551 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3s2)C1 ZINC000908376473 981310897 /nfs/dbraw/zinc/31/08/97/981310897.db2.gz PTVPWHUKICIGOO-SKDRFNHKSA-N -1 0 337.828 3.928 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Nc2cccc(C(=O)[O-])c2OC)cc1 ZINC000908508966 981320819 /nfs/dbraw/zinc/32/08/19/981320819.db2.gz YYZGMQWNTUCXMS-GFCCVEGCSA-N -1 0 343.379 3.534 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2C[C@H]3CC[C@@H](C2)S3)cc1Cl ZINC000908682704 981339008 /nfs/dbraw/zinc/33/90/08/981339008.db2.gz GVDYLHILVGZJJM-UQPYNNQESA-N -1 0 325.817 3.651 20 0 EHADRM O=C([O-])CCc1ccccc1C(=O)NC[C@@H]1CCCc2ccccc21 ZINC000908727566 981349151 /nfs/dbraw/zinc/34/91/51/981349151.db2.gz UBAAFNIODULLHT-KRWDZBQOSA-N -1 0 337.419 3.554 20 0 EHADRM CCOc1cccc([C@H](C)NC(=O)c2ccccc2CCC(=O)[O-])c1 ZINC000908748573 981352754 /nfs/dbraw/zinc/35/27/54/981352754.db2.gz FLCQVNBCYZCGHB-AWEZNQCLSA-N -1 0 341.407 3.594 20 0 EHADRM O=C([O-])Cc1occc1C(=O)NCC1(c2cccs2)CCCCC1 ZINC000908824871 981368547 /nfs/dbraw/zinc/36/85/47/981368547.db2.gz CDKAUJGNGISUKK-UHFFFAOYSA-N -1 0 347.436 3.600 20 0 EHADRM C/C=C(\CC)C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000908857215 981378864 /nfs/dbraw/zinc/37/88/64/981378864.db2.gz RRZSCGRJGFEXDS-DQPCJIFYSA-N -1 0 345.317 3.574 20 0 EHADRM CCC[C@@H](C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001595536417 981382864 /nfs/dbraw/zinc/38/28/64/981382864.db2.gz ZKRREMOVZZWRFQ-UHOFOFEASA-N -1 0 337.847 3.983 20 0 EHADRM CCC[C@H](C(=O)Nc1ccc(C)c(C)c1C(=O)[O-])c1ccccn1 ZINC001595536638 981384196 /nfs/dbraw/zinc/38/41/96/981384196.db2.gz CWWLOCAXEFNOMC-AWEZNQCLSA-N -1 0 326.396 3.919 20 0 EHADRM CCC[C@@H](C(=O)Nc1sc(C)c(C)c1C(=O)[O-])c1ccccn1 ZINC001595537517 981387840 /nfs/dbraw/zinc/38/78/40/981387840.db2.gz LSAHMPNMSLXTPT-GFCCVEGCSA-N -1 0 332.425 3.981 20 0 EHADRM CCC[C@@H](C(=O)OCc1ccc(F)cc1C(=O)[O-])c1ccccn1 ZINC001595538464 981392322 /nfs/dbraw/zinc/39/23/22/981392322.db2.gz LVDHEMXQSCQGGO-CQSZACIVSA-N -1 0 331.343 3.546 20 0 EHADRM CSc1ccccc1CC(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000909068033 981410384 /nfs/dbraw/zinc/41/03/84/981410384.db2.gz IRKYEWVDDMDHMY-UGSOOPFHSA-N -1 0 343.448 3.529 20 0 EHADRM CCC[C@@](C)(NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C)C(=O)[O-] ZINC001595546658 981413241 /nfs/dbraw/zinc/41/32/41/981413241.db2.gz RWFJYOYDUZLDKY-AUUYWEPGSA-N -1 0 335.444 3.645 20 0 EHADRM CC(C)(C)OC1CC(CC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000909111337 981420296 /nfs/dbraw/zinc/42/02/96/981420296.db2.gz RZSGRUDMBNIKRM-UHFFFAOYSA-N -1 0 339.819 3.961 20 0 EHADRM CC(C)(C(=O)NCc1c2ccccc2sc1C(=O)[O-])C(F)F ZINC000909213799 981433871 /nfs/dbraw/zinc/43/38/71/981433871.db2.gz FAZRMGHFALOQOU-UHFFFAOYSA-N -1 0 327.352 3.507 20 0 EHADRM CCC[C@@](C)(NC(=O)c1cccc(N[C@@H](C)C(C)C)c1C)C(=O)[O-] ZINC001595554290 981435921 /nfs/dbraw/zinc/43/59/21/981435921.db2.gz YEDCAJWAEARYDK-IFXJQAMLSA-N -1 0 334.460 3.825 20 0 EHADRM CCC/C(C)=C\C(=O)Nc1cc(C(=O)[O-])ccc1-n1cc(C)cn1 ZINC001595565485 981455455 /nfs/dbraw/zinc/45/54/55/981455455.db2.gz HDWWBOUUIRIUHL-WQLSENKSSA-N -1 0 327.384 3.564 20 0 EHADRM Cc1ccc(NC(=O)[C@H](C)[C@@H]2OCCc3sccc32)cc1C(=O)[O-] ZINC000909295128 981463082 /nfs/dbraw/zinc/46/30/82/981463082.db2.gz PNCYFVHGEIMRAK-BZNIZROVSA-N -1 0 345.420 3.643 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)Nc1cccc(COc2ccccc2)c1C ZINC000909413260 981488122 /nfs/dbraw/zinc/48/81/22/981488122.db2.gz OOOQWFBNRJUEHQ-MRXNPFEDSA-N -1 0 327.380 3.623 20 0 EHADRM Cc1ccc(F)c(CC(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC000909520194 981526175 /nfs/dbraw/zinc/52/61/75/981526175.db2.gz OFMKPHNJOZQOLP-CYBMUJFWSA-N -1 0 329.371 3.579 20 0 EHADRM CCC[C@@H](CC)C(=O)N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001595586244 981530419 /nfs/dbraw/zinc/53/04/19/981530419.db2.gz TXNUQVPTPHILTP-MFKMUULPSA-N -1 0 331.334 3.774 20 0 EHADRM CCC[C@@H](CC1CCCCC1)C(=O)NCc1ccc(C(=O)[O-])nc1 ZINC001595587497 981542536 /nfs/dbraw/zinc/54/25/36/981542536.db2.gz OJDUFAMCXXKAKG-INIZCTEOSA-N -1 0 332.444 3.783 20 0 EHADRM CCC[C@H](CCc1ccccc1)NC(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001595591594 981548379 /nfs/dbraw/zinc/54/83/79/981548379.db2.gz NWBFGVQWNRCVFI-XLIONFOSSA-N -1 0 346.471 3.684 20 0 EHADRM CCC[C@H](CNC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)OC ZINC001595593023 981554703 /nfs/dbraw/zinc/55/47/03/981554703.db2.gz QOERCYBLCZDSCE-GFCCVEGCSA-N -1 0 336.413 3.536 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@@H]3CC[C@H](c4ccc(F)cc4)C3)(CC1)C2 ZINC000909725192 981580575 /nfs/dbraw/zinc/58/05/75/981580575.db2.gz WOJDCGCBTFGELJ-WVBOZTAZSA-N -1 0 345.414 3.613 20 0 EHADRM CCC[C@@H](NC(=O)Nc1cc(C(=O)[O-])cnc1Cl)C(C)(C)C ZINC001595600812 981583683 /nfs/dbraw/zinc/58/36/83/981583683.db2.gz XPICDZZFFCQCSX-LLVKDONJSA-N -1 0 327.812 3.770 20 0 EHADRM CCC[C@@H](NC(=O)c1ccccc1)c1nc(C2(C(=O)[O-])CC2)cs1 ZINC001595601079 981586159 /nfs/dbraw/zinc/58/61/59/981586159.db2.gz TXTNBVHECQIFJT-CYBMUJFWSA-N -1 0 344.436 3.531 20 0 EHADRM CCC[C@@H](OC)C(=O)Nc1ccc(Oc2ccccc2)cc1C(=O)[O-] ZINC001595611603 981629756 /nfs/dbraw/zinc/62/97/56/981629756.db2.gz SVUYLMJDFBXOID-QGZVFWFLSA-N -1 0 343.379 3.931 20 0 EHADRM Cc1ccc2c(c1)CC[C@@H](C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1)O2 ZINC000909835609 981654765 /nfs/dbraw/zinc/65/47/65/981654765.db2.gz UHUDHCYISXZAJV-ACJLOTCBSA-N -1 0 339.391 3.515 20 0 EHADRM Cc1ccc2c(c1)CC[C@H](C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1)O2 ZINC000909835611 981654906 /nfs/dbraw/zinc/65/49/06/981654906.db2.gz UHUDHCYISXZAJV-FZKQIMNGSA-N -1 0 339.391 3.515 20 0 EHADRM Cc1nc(CC2CC2)sc1C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000909835647 981655019 /nfs/dbraw/zinc/65/50/19/981655019.db2.gz HSYQIWVCKQOYDH-JTQLQIEISA-N -1 0 344.436 3.844 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2ccccc2OC2CC2)cc1 ZINC000909835904 981655753 /nfs/dbraw/zinc/65/57/53/981655753.db2.gz KXQCTHQYFZZKAI-LBPRGKRZSA-N -1 0 325.364 3.668 20 0 EHADRM CCC[C@]1(CO)CCN(c2c(Cl)cc(Cl)cc2C(=O)[O-])C1 ZINC001595618072 981660759 /nfs/dbraw/zinc/66/07/59/981660759.db2.gz KGJNKZYVQCFEBP-HNNXBMFYSA-N -1 0 332.227 3.681 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N[C@H](C)c1cccc(OCc2ccccc2)c1 ZINC001594757722 981680693 /nfs/dbraw/zinc/68/06/93/981680693.db2.gz MNTOVHJPYBEVKC-RDTXWAMCSA-N -1 0 341.407 3.554 20 0 EHADRM CCC[C@@H]1C[C@H](C(=O)Nc2ccc(OC(C)C)cc2C(=O)[O-])CCO1 ZINC001595620251 981687578 /nfs/dbraw/zinc/68/75/78/981687578.db2.gz ASDWUFHIMPOGMY-ZIAGYGMSSA-N -1 0 349.427 3.706 20 0 EHADRM CCC[C@H]1CCCC[C@H]1CNC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001595621526 981701128 /nfs/dbraw/zinc/70/11/28/981701128.db2.gz JXDOEJHYAHUCQZ-STQMWFEESA-N -1 0 338.473 3.852 20 0 EHADRM CCC[C@H]1CCCC[C@H]1NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001595622677 981712836 /nfs/dbraw/zinc/71/28/36/981712836.db2.gz VKAODZVMCLPLLC-XJKSGUPXSA-N -1 0 342.439 3.884 20 0 EHADRM CCC[C@@H]1CCC[C@@H]1C(=O)Oc1cc(/C=C/C(=O)[O-])ccc1OC ZINC001595622943 981715656 /nfs/dbraw/zinc/71/56/56/981715656.db2.gz XZGUNBQANIRVEG-OVNLOREASA-N -1 0 332.396 3.915 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC001594782383 981789628 /nfs/dbraw/zinc/78/96/28/981789628.db2.gz OKPSZLPJCSTVGV-SQGPQFPESA-N -1 0 347.430 3.811 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)Cc1c(C)oc2ccccc21 ZINC001594782461 981790590 /nfs/dbraw/zinc/79/05/90/981790590.db2.gz PYVXXDAFSXVTTD-HXUWFJFHSA-N -1 0 343.423 3.776 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)Cc1c(C)cc(C)cc1C ZINC001594782812 981792165 /nfs/dbraw/zinc/79/21/65/981792165.db2.gz SYMQKWJUKFLNLH-FQEVSTJZSA-N -1 0 331.456 3.646 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)C[C@@H]1CCCc2ccccc21 ZINC001594783458 981795345 /nfs/dbraw/zinc/79/53/45/981795345.db2.gz XHPPBXMOUNBDIY-UWJYYQICSA-N -1 0 343.467 3.989 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)Cc1coc2ccc(C)cc12 ZINC001594783681 981795983 /nfs/dbraw/zinc/79/59/83/981795983.db2.gz ZEAAYBIGCJTIJH-HXUWFJFHSA-N -1 0 343.423 3.776 20 0 EHADRM CC(C)(C)[C@@H]1Cc2ccccc2N(C(=O)c2ccoc2CC(=O)[O-])C1 ZINC000910242185 981809828 /nfs/dbraw/zinc/80/98/28/981809828.db2.gz VRWMBTRZBBZXBE-CQSZACIVSA-N -1 0 341.407 3.772 20 0 EHADRM CCCC[C@H](C)C(=O)N[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC001595631363 981838176 /nfs/dbraw/zinc/83/81/76/981838176.db2.gz MUYGVAFZLUISPO-GWCFXTLKSA-N -1 0 342.233 3.517 20 0 EHADRM C[C@H]1[C@@H](C(F)(F)F)CCN1c1nc(C(F)(F)F)ccc1C(=O)[O-] ZINC000910308577 981866051 /nfs/dbraw/zinc/86/60/51/981866051.db2.gz MLPGLERZCLFTFR-XPUUQOCRSA-N -1 0 342.239 3.576 20 0 EHADRM CCCC[C@H](NC(=O)/C=C\c1ccsc1C(F)(F)F)C(=O)[O-] ZINC001595634246 981883786 /nfs/dbraw/zinc/88/37/86/981883786.db2.gz BTGRJQUEDOXSNB-OMMCCPJFSA-N -1 0 335.347 3.540 20 0 EHADRM CCC(C)(C)C1CCC2(C[C@H]2C(=O)N[C@H](CCF)C(=O)[O-])CC1 ZINC001594797080 981883885 /nfs/dbraw/zinc/88/38/85/981883885.db2.gz UAAHJTSJZFDLQJ-RYTBJUFESA-N -1 0 327.440 3.548 20 0 EHADRM CC(C)(C)c1ccc(CNC(=O)c2ccccc2CCC(=O)[O-])o1 ZINC000910348788 981885553 /nfs/dbraw/zinc/88/55/53/981885553.db2.gz MJKFRBUSMOCIQF-UHFFFAOYSA-N -1 0 329.396 3.524 20 0 EHADRM CCCC[C@@H](NC(=O)c1ccc(Oc2ccc(C)cn2)cc1)C(=O)[O-] ZINC001595636831 981922565 /nfs/dbraw/zinc/92/25/65/981922565.db2.gz UDSXZOZJXISRCN-MRXNPFEDSA-N -1 0 342.395 3.556 20 0 EHADRM CCC(C)(C)c1ccccc1C(=O)NCc1cc(C)c(C(=O)[O-])o1 ZINC001594815819 981946031 /nfs/dbraw/zinc/94/60/31/981946031.db2.gz PXVPJEUQTGSJQF-UHFFFAOYSA-N -1 0 329.396 3.904 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CCOc1cc(Cl)cc(Cl)c1 ZINC001594819234 981964228 /nfs/dbraw/zinc/96/42/28/981964228.db2.gz WCRSFTXVMNHSBV-HNNXBMFYSA-N -1 0 348.226 3.522 20 0 EHADRM CCC(C)(CC)C(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC001594829856 982007271 /nfs/dbraw/zinc/00/72/71/982007271.db2.gz LMOVYONLXOJYKF-UHFFFAOYSA-N -1 0 331.456 3.992 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)CC(C)(C)C(F)(F)F ZINC000910624977 982033763 /nfs/dbraw/zinc/03/37/63/982033763.db2.gz ZKIKFFMAYVOTMR-UHFFFAOYSA-N -1 0 333.306 3.701 20 0 EHADRM O=C([O-])CCc1csc(NC(=O)[C@@H]2CCC[C@H]2c2ccccc2)n1 ZINC000910645097 982037798 /nfs/dbraw/zinc/03/77/98/982037798.db2.gz VIRFIONYGRXZOQ-LSDHHAIUSA-N -1 0 344.436 3.683 20 0 EHADRM CCSCc1ccnc(NC(=O)c2ccccc2CCC(=O)[O-])c1 ZINC000910648031 982039995 /nfs/dbraw/zinc/03/99/95/982039995.db2.gz CHZXGRDTALGFCR-UHFFFAOYSA-N -1 0 344.436 3.604 20 0 EHADRM CCCCn1ncc(NC(=O)c2oc(C(=O)[O-])cc2C)c1C(C)C ZINC000910655920 982043983 /nfs/dbraw/zinc/04/39/83/982043983.db2.gz HTHDAIVWIHWAMJ-UHFFFAOYSA-N -1 0 333.388 3.659 20 0 EHADRM CC[C@@H](C)n1ncc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1C ZINC000910659165 982045242 /nfs/dbraw/zinc/04/52/42/982045242.db2.gz RAFXYSLATRBWGX-RGZNSWCXSA-N -1 0 333.432 3.526 20 0 EHADRM Cc1ccc(C(=O)Nc2cnn(CC(C)C)c2C2CC2)cc1C(=O)[O-] ZINC000910666285 982047737 /nfs/dbraw/zinc/04/77/37/982047737.db2.gz SILNITKGPPBLGM-UHFFFAOYSA-N -1 0 341.411 3.675 20 0 EHADRM CC[C@](C)(NC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)C1CC1 ZINC001594842000 982059822 /nfs/dbraw/zinc/05/98/22/982059822.db2.gz OWIBWSPGTUSPBJ-HNNXBMFYSA-N -1 0 328.771 3.878 20 0 EHADRM CC[C@](C)(NC(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001594846634 982069049 /nfs/dbraw/zinc/06/90/49/982069049.db2.gz JKSZESYOGYRODJ-IBGZPJMESA-N -1 0 329.371 3.888 20 0 EHADRM CCCCC[C@@](C)(CC)C(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001595666052 982096647 /nfs/dbraw/zinc/09/66/47/982096647.db2.gz DIQMBHFRPFDMPT-CUCAAIEXSA-N -1 0 339.476 3.512 20 0 EHADRM CC[C@H](C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)c1ccccc1 ZINC000910737188 982099645 /nfs/dbraw/zinc/09/96/45/982099645.db2.gz QGRLIJNMUQDCSX-LBPRGKRZSA-N -1 0 330.409 3.851 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC000910742325 982104669 /nfs/dbraw/zinc/10/46/69/982104669.db2.gz PCUHQKOKIRABPD-QWHCGFSZSA-N -1 0 342.420 3.769 20 0 EHADRM CCCCC[C@@H](CC)C(=O)N1c2c(cccc2C(=O)[O-])NC(=O)[C@H]1C ZINC001595671004 982122469 /nfs/dbraw/zinc/12/24/69/982122469.db2.gz XDWDJVORRJQGLO-CHWSQXEVSA-N -1 0 346.427 3.665 20 0 EHADRM CCCCC[C@@H](NC(=O)Cc1c[nH]c2cccc(Cl)c12)C(=O)[O-] ZINC001595672582 982135525 /nfs/dbraw/zinc/13/55/25/982135525.db2.gz MTWGWDRHMRJLBB-CQSZACIVSA-N -1 0 336.819 3.514 20 0 EHADRM CCCCC[C@H](NC(=O)c1c(C)[nH]c2ccc(Cl)cc21)C(=O)[O-] ZINC001595676933 982150441 /nfs/dbraw/zinc/15/04/41/982150441.db2.gz SHLHAHUXZNPZCT-AWEZNQCLSA-N -1 0 336.819 3.893 20 0 EHADRM CCCCn1cc(C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)c(C)n1 ZINC000910946719 982171758 /nfs/dbraw/zinc/17/17/58/982171758.db2.gz SAAVRMVDWLENAN-UHFFFAOYSA-N -1 0 347.440 3.664 20 0 EHADRM CO[C@@H]1CCC[C@@H](CC(=O)Nc2ccc(SC)c(C(=O)[O-])c2)C1 ZINC000910946387 982171773 /nfs/dbraw/zinc/17/17/73/982171773.db2.gz NQQRLWHFZBYONO-DGCLKSJQSA-N -1 0 337.441 3.641 20 0 EHADRM CSc1ccc(NC(=O)c2cnn(C(C)(C)C)c2C)cc1C(=O)[O-] ZINC000910949623 982173740 /nfs/dbraw/zinc/17/37/40/982173740.db2.gz MFUXJLFJMMUOFW-UHFFFAOYSA-N -1 0 347.440 3.619 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N(Cc2cccc(F)c2)C2CCC2)cc1 ZINC000910952477 982175481 /nfs/dbraw/zinc/17/54/81/982175481.db2.gz VEFXMCQDOWLWGT-UHFFFAOYSA-N -1 0 341.382 3.648 20 0 EHADRM CCCCCC[C@H](C)C(=O)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001595695148 982217156 /nfs/dbraw/zinc/21/71/56/982217156.db2.gz PJVNOBGCRPTYHS-JCGIZDLHSA-N -1 0 347.455 3.625 20 0 EHADRM C[C@]1(Cc2cccs2)CCCN1C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000911060298 982219009 /nfs/dbraw/zinc/21/90/09/982219009.db2.gz BXLGGUYULGUELK-XOWYPZSQSA-N -1 0 345.420 3.676 20 0 EHADRM CCCCCC[C@H](C)NC(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001595696552 982230927 /nfs/dbraw/zinc/23/09/27/982230927.db2.gz BMCGTHSDHIBLNI-NSHDSACASA-N -1 0 341.477 3.986 20 0 EHADRM O=C([O-])Cc1occc1C(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000911119432 982247532 /nfs/dbraw/zinc/24/75/32/982247532.db2.gz IVKCQUDSNXDDPX-UHFFFAOYSA-N -1 0 342.395 3.539 20 0 EHADRM CCCCCCO[C@H](C)C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001595710118 982293743 /nfs/dbraw/zinc/29/37/43/982293743.db2.gz CUEPLTFBVLNWSQ-LLVKDONJSA-N -1 0 328.792 3.929 20 0 EHADRM CC(C)N(C)c1ccc(NC(=O)c2cccc(CC(=O)[O-])c2)cc1F ZINC000911228202 982301911 /nfs/dbraw/zinc/30/19/11/982301911.db2.gz RODJIKUOTAUGLI-UHFFFAOYSA-N -1 0 344.386 3.550 20 0 EHADRM CCCCN(C(=O)c1cccc(OCC(=O)[O-])c1)[C@H]1CCC[C@@H](C)C1 ZINC001595736179 982383423 /nfs/dbraw/zinc/38/34/23/982383423.db2.gz XSJIYYOXWKVIIO-WBVHZDCISA-N -1 0 347.455 3.971 20 0 EHADRM CC[C@H](c1ccncc1)N(CC)C(=O)CCc1ccccc1C(=O)[O-] ZINC000911416684 982423070 /nfs/dbraw/zinc/42/30/70/982423070.db2.gz RAGJSNPRVGKCIB-GOSISDBHSA-N -1 0 340.423 3.712 20 0 EHADRM CC[C@@H](c1ccncc1)N(CC)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000911417024 982423215 /nfs/dbraw/zinc/42/32/15/982423215.db2.gz YGUXLJRRSFNPQB-INIZCTEOSA-N -1 0 330.359 3.532 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)Nc1cccc(N2CCC(C)CC2)c1 ZINC000911424037 982425835 /nfs/dbraw/zinc/42/58/35/982425835.db2.gz OIZPLCVMMRVRJB-UHFFFAOYSA-N -1 0 342.395 3.775 20 0 EHADRM CCCCO[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(C(=O)[O-])cc2)C1(C)C ZINC001595766231 982496758 /nfs/dbraw/zinc/49/67/58/982496758.db2.gz ZHMCECHRGNVOLN-CVEARBPZSA-N -1 0 348.443 3.832 20 0 EHADRM COc1cc(F)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000026546885 1014854461 /nfs/dbraw/zinc/85/44/61/1014854461.db2.gz CGMZNHXONKAJHS-UHFFFAOYSA-N -1 0 335.400 3.514 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@@H]3CC[C@H](c4cccc(F)c4)C3)(CC1)C2 ZINC000911575428 982512699 /nfs/dbraw/zinc/51/26/99/982512699.db2.gz ZYQZHKJPDYEXEI-WVBOZTAZSA-N -1 0 345.414 3.613 20 0 EHADRM O=C([O-])c1cccc(NC2CCN(C(=O)C[C@@H]3C=CCCC3)CC2)c1 ZINC000911599523 982533523 /nfs/dbraw/zinc/53/35/23/982533523.db2.gz XCUSELHRIXTDHR-OAHLLOKOSA-N -1 0 342.439 3.534 20 0 EHADRM CCCCOc1ccc(C(=O)Oc2ccc(CC(=O)[O-])cc2F)cc1 ZINC001595775650 982539954 /nfs/dbraw/zinc/53/99/54/982539954.db2.gz PAPBQTBQJKMMPE-UHFFFAOYSA-N -1 0 346.354 3.851 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)CCCC1CCCCC1)c1ccccn1 ZINC000911613155 982541876 /nfs/dbraw/zinc/54/18/76/982541876.db2.gz DDHPDXRAPUJYLZ-IBGZPJMESA-N -1 0 332.444 3.638 20 0 EHADRM CC[C@H](C)[C@@H](OC)C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC001594930677 982554981 /nfs/dbraw/zinc/55/49/81/982554981.db2.gz ZGIXSZUINMKUFZ-IINYFYTJSA-N -1 0 339.457 3.715 20 0 EHADRM CC1(C)CC(C(=O)N[C@H](CC(=O)[O-])c2ccncc2)CC(C)(C)C1 ZINC000911661178 982591793 /nfs/dbraw/zinc/59/17/93/982591793.db2.gz KSWHRHGWLYZYIG-OAHLLOKOSA-N -1 0 332.444 3.566 20 0 EHADRM CCCCc1ccc(C(=O)N(CC)c2ncc(C(=O)[O-])s2)cc1 ZINC001595793765 982596292 /nfs/dbraw/zinc/59/62/92/982596292.db2.gz LMSSPCWCFXABAP-UHFFFAOYSA-N -1 0 332.425 3.851 20 0 EHADRM CCCCn1ncc(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)c1CC ZINC001595807213 982633588 /nfs/dbraw/zinc/63/35/88/982633588.db2.gz GPZAGLZIVZWBDI-UHFFFAOYSA-N -1 0 349.818 3.850 20 0 EHADRM CCCCn1nc(C)c(CNCc2ccc(CC(=O)[O-])cc2)c1Cl ZINC001595809324 982638560 /nfs/dbraw/zinc/63/85/60/982638560.db2.gz HGILNSDVNPPCIY-UHFFFAOYSA-N -1 0 349.862 3.562 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)c1nc2ccccc2cc1C1CC1)C(=O)[O-] ZINC001594950282 982658988 /nfs/dbraw/zinc/65/89/88/982658988.db2.gz XAAAXDBVRVLKEO-SJKOYZFVSA-N -1 0 340.423 3.731 20 0 EHADRM CCCN(C(=O)CCOc1cc(C)ccc1C(C)C)[C@@H](C)C(=O)[O-] ZINC001595815954 982669410 /nfs/dbraw/zinc/66/94/10/982669410.db2.gz GBMOPWYNDNLSFE-HNNXBMFYSA-N -1 0 335.444 3.599 20 0 EHADRM CCCN(C(=O)/C=C\c1ccc2cc(OC)ccc2c1)[C@@H](C)C(=O)[O-] ZINC001595817517 982681200 /nfs/dbraw/zinc/68/12/00/982681200.db2.gz UIBWSCMJSYVKDH-APFBBLRHSA-N -1 0 341.407 3.573 20 0 EHADRM CC[C@H](C)CC[C@H](O)CC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001594957754 982692287 /nfs/dbraw/zinc/69/22/87/982692287.db2.gz MQMFJZBWYHMSIU-JQWIXIFHSA-N -1 0 327.808 3.554 20 0 EHADRM Cc1ccc([C@H](CNC(=O)c2ccsc2C(F)F)C(=O)[O-])cc1 ZINC000923065782 982704009 /nfs/dbraw/zinc/70/40/09/982704009.db2.gz SWXVBGOOUUPTBA-LBPRGKRZSA-N -1 0 339.363 3.592 20 0 EHADRM CC[C@H](C)CCNC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001594959548 982707767 /nfs/dbraw/zinc/70/77/67/982707767.db2.gz XSMKUGHQEGBGTO-ZDUSSCGKSA-N -1 0 344.411 3.861 20 0 EHADRM Cc1nc(CC(C)C)c(C(=O)Nc2cc(C(=O)[O-])sc2C)s1 ZINC000923094616 982719695 /nfs/dbraw/zinc/71/96/95/982719695.db2.gz LWEJKZXDIFCMQP-UHFFFAOYSA-N -1 0 338.454 3.970 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@@H](C)Oc1ccc(C(C)C)c(C)c1 ZINC001594967812 982731067 /nfs/dbraw/zinc/73/10/67/982731067.db2.gz CADZDWUAOYSLMI-HUUCEWRRSA-N -1 0 335.444 3.597 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)NCC1CCC=CCC1)C(=O)[O-] ZINC000923111437 982731907 /nfs/dbraw/zinc/73/19/07/982731907.db2.gz IQNTZJFHYIZDSE-CYBMUJFWSA-N -1 0 333.453 3.728 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)/C(F)=C/c1ccc(C(F)(F)F)cc1 ZINC001594968201 982732532 /nfs/dbraw/zinc/73/25/32/982732532.db2.gz JDZKYJKLDBCRGW-GARZTLJTSA-N -1 0 347.308 3.728 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1sc(-c2ccc(C)cc2)nc1C ZINC001594978191 982759027 /nfs/dbraw/zinc/75/90/27/982759027.db2.gz KBNSYKNIQGNDMS-GFCCVEGCSA-N -1 0 346.452 3.752 20 0 EHADRM CCCN(C)c1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC001595840456 982760754 /nfs/dbraw/zinc/76/07/54/982760754.db2.gz YCUOCGQZOINCAA-UHFFFAOYSA-N -1 0 326.396 3.792 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cccc(SC(F)(F)F)c1 ZINC000923152142 982764548 /nfs/dbraw/zinc/76/45/48/982764548.db2.gz AVLMFWYRSSECGM-MWLCHTKSSA-N -1 0 347.358 3.624 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)C[C@@H](Cc1ccccc1)c1ccccc1 ZINC001595846701 982777553 /nfs/dbraw/zinc/77/75/53/982777553.db2.gz VEDJNLXIRKIORG-LJQANCHMSA-N -1 0 339.435 3.726 20 0 EHADRM CC[C@H](C)N1C(=O)N[C@H](c2c(F)cccc2Cl)C(C(=O)[O-])=C1C ZINC001594985093 982796300 /nfs/dbraw/zinc/79/63/00/982796300.db2.gz GLBLCEYEXMPQQM-RTHLEPHNSA-N -1 0 340.782 3.703 20 0 EHADRM CC[C@H](C)N(Cc1ccccc1)C(=O)Nc1cnc(C)c(C(=O)[O-])c1 ZINC001594985150 982797411 /nfs/dbraw/zinc/79/74/11/982797411.db2.gz HMEGVCIGTLHGHG-ZDUSSCGKSA-N -1 0 341.411 3.921 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1coc(C(F)F)c1)C1CCCCCC1 ZINC000923173282 982822418 /nfs/dbraw/zinc/82/24/18/982822418.db2.gz NMUGMMBNDUKGGQ-GFCCVEGCSA-N -1 0 329.343 3.618 20 0 EHADRM CCCN(CC)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC001595869053 982845702 /nfs/dbraw/zinc/84/57/02/982845702.db2.gz MPNKQNLTQCZYBH-MRXNPFEDSA-N -1 0 346.452 3.540 20 0 EHADRM CCCN(CC)c1ccc(C(=O)Nc2cccc(C(=O)[O-])c2C)cn1 ZINC001595870331 982852574 /nfs/dbraw/zinc/85/25/74/982852574.db2.gz HEVUKEYDNXGTJB-UHFFFAOYSA-N -1 0 341.411 3.577 20 0 EHADRM CC[C@H](C)Oc1cc(C(=O)Nc2sc(C)cc2C(=O)[O-])ccn1 ZINC001594996736 982901526 /nfs/dbraw/zinc/90/15/26/982901526.db2.gz OPFTYRHVAMMEKV-VIFPVBQESA-N -1 0 334.397 3.579 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2F)cc1 ZINC001594999197 982905394 /nfs/dbraw/zinc/90/53/94/982905394.db2.gz BAEWIMCBZQMFQL-GFCCVEGCSA-N -1 0 345.370 3.631 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N(CC(C)C)C(C)(C)C(=O)[O-])cc1 ZINC001594999486 982907835 /nfs/dbraw/zinc/90/78/35/982907835.db2.gz IBEUIPVNZCDVEK-AWEZNQCLSA-N -1 0 335.444 3.825 20 0 EHADRM CC(C)(C)n1c2ccccc2nc1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001116507197 982932927 /nfs/dbraw/zinc/93/29/27/982932927.db2.gz HPKJCLPFDZWDJY-STQMWFEESA-N -1 0 343.427 3.621 20 0 EHADRM CC[C@H](C)Oc1ccc(N[C@@H]2CCCn3nc(C(=O)[O-])cc32)cc1 ZINC001595009336 982934481 /nfs/dbraw/zinc/93/44/81/982934481.db2.gz VSFYMZMXYXIJAH-SWLSCSKDSA-N -1 0 329.400 3.706 20 0 EHADRM CC[C@@H](C)c1ccc(OS(=O)(=O)c2ccsc2C(=O)[O-])cc1 ZINC001595010416 982940152 /nfs/dbraw/zinc/94/01/52/982940152.db2.gz QGLXPZDNKMXDAO-SNVBAGLBSA-N -1 0 340.422 3.728 20 0 EHADRM CC[C@@H](C)c1ccc(C(=O)COC(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC001595010541 982940761 /nfs/dbraw/zinc/94/07/61/982940761.db2.gz SWLVWMBVMIUJCC-LLVKDONJSA-N -1 0 330.336 3.531 20 0 EHADRM Cc1oc(CN(C)C(=O)c2cccc(C3CCC3)c2)cc1C(=O)[O-] ZINC001119641509 983010374 /nfs/dbraw/zinc/01/03/74/983010374.db2.gz YKTHVZRABYDLLQ-UHFFFAOYSA-N -1 0 327.380 3.826 20 0 EHADRM CCCN1CCN(Cc2ccsc2C(=O)[O-])c2ccc(F)cc21 ZINC001595912689 983010593 /nfs/dbraw/zinc/01/05/93/983010593.db2.gz YOXARFKHMLTNSM-UHFFFAOYSA-N -1 0 334.416 3.822 20 0 EHADRM CCCOC1(CNC(=O)Nc2ccc(C(=O)[O-])s2)CCCCC1 ZINC001595941291 983093792 /nfs/dbraw/zinc/09/37/92/983093792.db2.gz BKYCHJZRCMDAIR-UHFFFAOYSA-N -1 0 340.445 3.697 20 0 EHADRM CCC(CC)(CC(=O)NCc1ccc(OC(C)(C)C)cc1)C(=O)[O-] ZINC000620149390 1125485915 /nfs/dbraw/zinc/48/59/15/1125485915.db2.gz MAHKZDWEUWAAJH-UHFFFAOYSA-N -1 0 335.444 3.761 20 0 EHADRM CCCc1c(C(=O)N(C)c2ccc3cc[nH]c3c2)[nH]c(C)c1C(=O)[O-] ZINC001596029711 983295923 /nfs/dbraw/zinc/29/59/23/983295923.db2.gz CMYXXSROLALBMK-UHFFFAOYSA-N -1 0 339.395 3.732 20 0 EHADRM CCCc1c(C(=O)N[C@H]2CCc3cc(C)ccc32)[nH]c(C)c1C(=O)[O-] ZINC001596037349 983319765 /nfs/dbraw/zinc/31/97/65/983319765.db2.gz NDSKOPWIHBRLDI-INIZCTEOSA-N -1 0 340.423 3.700 20 0 EHADRM CCCc1cccc(C(C)C)c1NC(=O)c1cnc(C(=O)[O-])cn1 ZINC001596068533 983381926 /nfs/dbraw/zinc/38/19/26/983381926.db2.gz JHXNSHNYBSBHAF-UHFFFAOYSA-N -1 0 327.384 3.503 20 0 EHADRM CCCc1occc1-c1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC001596102539 983427489 /nfs/dbraw/zinc/42/74/89/983427489.db2.gz FKMGXMUFWBFIPN-UHFFFAOYSA-N -1 0 328.324 3.559 20 0 EHADRM CCCc1occc1C(=O)N(Cc1ccccc1)C(C)(C)C(=O)[O-] ZINC001596102707 983428284 /nfs/dbraw/zinc/42/82/84/983428284.db2.gz QBDZZAQYLBEMPH-UHFFFAOYSA-N -1 0 329.396 3.738 20 0 EHADRM CCCn1c(C(=O)NC(CC)(CC)CC(=O)[O-])cc2ccccc21 ZINC001596108295 983433769 /nfs/dbraw/zinc/43/37/69/983433769.db2.gz UWNUXRWZVFZSGJ-UHFFFAOYSA-N -1 0 330.428 3.815 20 0 EHADRM CCCn1ncc(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c1C1CC1 ZINC001596121006 983457431 /nfs/dbraw/zinc/45/74/31/983457431.db2.gz OQLWVORMAHBONI-LBPRGKRZSA-N -1 0 341.411 3.611 20 0 EHADRM CCN(C(=O)CCC[C@H](C)c1cccc(OC)c1)C(C)(C)C(=O)[O-] ZINC001596137562 983487138 /nfs/dbraw/zinc/48/71/38/983487138.db2.gz NTBOYWBKXSDGRO-AWEZNQCLSA-N -1 0 335.444 3.681 20 0 EHADRM CCN(C(=O)COc1cc(Cl)ccc1C)c1ccccc1C(=O)[O-] ZINC001596145646 983501501 /nfs/dbraw/zinc/50/15/01/983501501.db2.gz QTKRYKNJIOAASM-UHFFFAOYSA-N -1 0 347.798 3.779 20 0 EHADRM CCN(C(=O)Nc1cccc2cc(C(=O)[O-])sc21)[C@@H]1CCCOC1 ZINC001596158973 983522620 /nfs/dbraw/zinc/52/26/20/983522620.db2.gz WOTKEHOCOGIQIQ-GFCCVEGCSA-N -1 0 348.424 3.632 20 0 EHADRM CCN(C(=O)Nc1cccc(CCC(=O)[O-])c1)[C@H]1CCOC(C)(C)C1 ZINC001596158906 983522636 /nfs/dbraw/zinc/52/26/36/983522636.db2.gz VQQNVBWXRMSUNS-INIZCTEOSA-N -1 0 348.443 3.515 20 0 EHADRM CCN(C(=O)c1cc(F)cc2cccnc21)c1ccccc1C(=O)[O-] ZINC001596164146 983526077 /nfs/dbraw/zinc/52/60/77/983526077.db2.gz DWUFEEOWVZQMOQ-UHFFFAOYSA-N -1 0 338.338 3.739 20 0 EHADRM CCN(C(=O)c1cc(F)cc2ccoc21)c1ccccc1C(=O)[O-] ZINC001596165193 983529125 /nfs/dbraw/zinc/52/91/25/983529125.db2.gz ZMFHTSVYOPIALU-UHFFFAOYSA-N -1 0 327.311 3.937 20 0 EHADRM CCN(C)C(=O)c1cccc(N[C@H](C)c2cc(C(=O)[O-])cs2)c1 ZINC001596187958 983561036 /nfs/dbraw/zinc/56/10/36/983561036.db2.gz JBXCVOWNDMBOMO-LLVKDONJSA-N -1 0 332.425 3.711 20 0 EHADRM CCN(CCC(=O)[O-])c1nc(-c2ccc(C)s2)nc2ccccc21 ZINC001596318693 983750210 /nfs/dbraw/zinc/75/02/10/983750210.db2.gz QJSDORFHSVYSMD-UHFFFAOYSA-N -1 0 341.436 3.968 20 0 EHADRM CCN(CCOc1ccccc1C)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001596346747 983796147 /nfs/dbraw/zinc/79/61/47/983796147.db2.gz HDZMDJSVABEBSH-UHFFFAOYSA-N -1 0 342.395 3.626 20 0 EHADRM CCN(Cc1ccc(C(=O)[O-])cn1)c1cccc(Br)c1 ZINC001596358020 983832122 /nfs/dbraw/zinc/83/21/22/983832122.db2.gz YZAHAPASGASVMC-UHFFFAOYSA-N -1 0 335.201 3.569 20 0 EHADRM CCN(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001596359806 983836147 /nfs/dbraw/zinc/83/61/47/983836147.db2.gz NBUQVNBNGGPOBS-UHFFFAOYSA-N -1 0 331.799 3.629 20 0 EHADRM CCN(Cc1ccc(OC)cc1)c1nc(Cl)c(C(=O)[O-])s1 ZINC001596363189 983843165 /nfs/dbraw/zinc/84/31/65/983843165.db2.gz VEIAMLAIKAPVFY-UHFFFAOYSA-N -1 0 326.805 3.530 20 0 EHADRM CCN(Cc1occc1C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001596380404 983901579 /nfs/dbraw/zinc/90/15/79/983901579.db2.gz GHFOVTVSRNPKGT-UHFFFAOYSA-N -1 0 334.347 3.788 20 0 EHADRM CCc1cccc(CC)c1NC(=O)Cc1nc(=O)c2sccc2[n-]1 ZINC000339566424 1015022481 /nfs/dbraw/zinc/02/24/81/1015022481.db2.gz BAXPSRJVQZUMED-UHFFFAOYSA-N -1 0 341.436 3.703 20 0 EHADRM C/C(=C\C(=O)NC[C@H](Cc1cccc(C)c1)C(=O)[O-])c1cccs1 ZINC001588938651 984623530 /nfs/dbraw/zinc/62/35/30/984623530.db2.gz ILVCCMFAAPLKQE-DKGMDFAASA-N -1 0 343.448 3.520 20 0 EHADRM C/C(=C/C(=O)O[C@H](C(=O)[O-])C1CC1)c1cccc(C(F)(F)F)c1 ZINC001588952930 984690424 /nfs/dbraw/zinc/69/04/24/984690424.db2.gz FCDRBFGEZMHGFF-LEJCZOIISA-N -1 0 328.286 3.515 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(CC(=O)[O-])cc1)c1cc2ccccc2o1 ZINC001599895261 984744881 /nfs/dbraw/zinc/74/48/81/984744881.db2.gz ZAEWKQRLGHNEER-LBPRGKRZSA-N -1 0 338.363 3.943 20 0 EHADRM C[C@H](Nc1cc(CC(=O)[O-])ccn1)c1ccc(F)cc1OC(F)F ZINC001599903013 984875081 /nfs/dbraw/zinc/87/50/81/984875081.db2.gz XDDBILZAUJYAEQ-VIFPVBQESA-N -1 0 340.301 3.622 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001588995908 984930359 /nfs/dbraw/zinc/93/03/59/984930359.db2.gz WHSWRYWXELMXLE-DEQJRXDXSA-N -1 0 341.382 3.522 20 0 EHADRM C/C(=C/c1cccnc1)C(=O)Oc1cc2ccccc2cc1C(=O)[O-] ZINC001589010658 984981669 /nfs/dbraw/zinc/98/16/69/984981669.db2.gz ORWQPNDGEKRXBG-LCYFTJDESA-N -1 0 333.343 3.942 20 0 EHADRM CCOC(=O)c1cccc(N(CC)Cc2ccc(C)c(C(=O)[O-])c2)c1 ZINC001596729962 984992802 /nfs/dbraw/zinc/99/28/02/984992802.db2.gz YTBKTWGLNIQVHZ-UHFFFAOYSA-N -1 0 341.407 3.896 20 0 EHADRM C[C@H]1CN(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)CC[C@H]1C(=O)[O-] ZINC001599915529 985050460 /nfs/dbraw/zinc/05/04/60/985050460.db2.gz JXCDJQXVKMXDCY-PYAUHKIHSA-N -1 0 329.440 3.567 20 0 EHADRM CC(=O)CC(C)(C)CC(=O)Nc1c(C)c(C(=O)[O-])ccc1Cl ZINC001589030754 985064804 /nfs/dbraw/zinc/06/48/04/985064804.db2.gz WWBVFVSENLTEJN-UHFFFAOYSA-N -1 0 325.792 3.681 20 0 EHADRM CCO[C@@H](C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1)C1CCCC1 ZINC001596765711 985165255 /nfs/dbraw/zinc/16/52/55/985165255.db2.gz DRBSMVSJTHXKTL-CQSZACIVSA-N -1 0 326.776 3.539 20 0 EHADRM CCO[C@@H](C(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21)C1CCCC1 ZINC001596766237 985169974 /nfs/dbraw/zinc/16/99/74/985169974.db2.gz NCADORQSFCATIO-ZWKOTPCHSA-N -1 0 346.423 3.901 20 0 EHADRM C[C@H]1CN(C(=O)c2ccc(Oc3ccccc3)cc2)C[C@]1(C)C(=O)[O-] ZINC001599924964 985187595 /nfs/dbraw/zinc/18/75/95/985187595.db2.gz WAMRXUCXBHNLCT-XOBRGWDASA-N -1 0 339.391 3.662 20 0 EHADRM CCOC1(C(=O)Nc2cc(C(=O)[O-])cc(Cl)c2Cl)CCC1 ZINC001596798237 985304780 /nfs/dbraw/zinc/30/47/80/985304780.db2.gz HLVKBSHHFSYXER-UHFFFAOYSA-N -1 0 332.183 3.589 20 0 EHADRM C[C@H]1Cc2ccccc2N(C(=O)c2cc(Cl)ccc2F)[C@H]1C(=O)[O-] ZINC001599936918 985406919 /nfs/dbraw/zinc/40/69/19/985406919.db2.gz HGLUUJQTBVITRE-MGPLVRAMSA-N -1 0 347.773 3.771 20 0 EHADRM CCO[C@@H]1C[C@@H](NC(=O)Nc2cccc(C(=O)[O-])c2)C12CCCCC2 ZINC001596821041 985415612 /nfs/dbraw/zinc/41/56/12/985415612.db2.gz CZJVVYNVBIYOPS-HZPDHXFCSA-N -1 0 346.427 3.634 20 0 EHADRM C[C@H]1Cc2ccccc2N(C(=O)CCCc2ccccc2)[C@H]1C(=O)[O-] ZINC001599937696 985416140 /nfs/dbraw/zinc/41/61/40/985416140.db2.gz WZPVLZNXRKSOBX-MGPUTAFESA-N -1 0 337.419 3.688 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)OC(=O)C[C@H]2CCC[C@H](C)C2)c(C)c1C(=O)[O-] ZINC001599942640 985474460 /nfs/dbraw/zinc/47/44/60/985474460.db2.gz ALOFVGMHUUEPGG-BPNCWPANSA-N -1 0 349.427 3.661 20 0 EHADRM Cc1[nH]c(C(=O)COc2ccc(F)cc2OC(C)C)c(C)c1C(=O)[O-] ZINC001599947582 985554701 /nfs/dbraw/zinc/55/47/01/985554701.db2.gz MEJWNKVKVFPCEY-UHFFFAOYSA-N -1 0 349.358 3.518 20 0 EHADRM CCOC1CC2(C[C@H]2C(=O)O[C@@H]2CCCc3cc(C(=O)[O-])ccc32)C1 ZINC001596851084 985578196 /nfs/dbraw/zinc/57/81/96/985578196.db2.gz ULWXHBQUMBDGCZ-TWODHEICSA-N -1 0 344.407 3.511 20 0 EHADRM Cc1[nH]c(C(=O)N2C[C@@H](C)CC[C@H]2c2ccccc2)c(C)c1C(=O)[O-] ZINC001599951277 985611185 /nfs/dbraw/zinc/61/11/85/985611185.db2.gz PRGBIIVBOMRLPV-LRDDRELGSA-N -1 0 340.423 3.943 20 0 EHADRM Cc1[nH]c(C(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)c(C)c1C(=O)[O-] ZINC001599954137 985658118 /nfs/dbraw/zinc/65/81/18/985658118.db2.gz ZMMJHMSTKQROKJ-DLBZAZTESA-N -1 0 348.402 3.769 20 0 EHADRM CC(=O)Nc1cccc(C(=O)Oc2cc3ccccc3cc2C(=O)[O-])c1 ZINC001589206280 985677229 /nfs/dbraw/zinc/67/72/29/985677229.db2.gz WTYACYVZZKGMJQ-UHFFFAOYSA-N -1 0 349.342 3.716 20 0 EHADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN(c1ccc(F)cc1)C1CCCC1 ZINC001599960578 985774031 /nfs/dbraw/zinc/77/40/31/985774031.db2.gz VJWFQYDCOACKII-UHFFFAOYSA-N -1 0 344.386 3.792 20 0 EHADRM CCOCCCCCC(=O)Nc1nc(C(C)C)c(C(=O)[O-])s1 ZINC001596907400 985889943 /nfs/dbraw/zinc/88/99/43/985889943.db2.gz GLXCMRCRYHQLJE-UHFFFAOYSA-N -1 0 328.434 3.500 20 0 EHADRM CC(=O)c1cc(C(=O)Nc2cc(F)cc(Cl)c2C(=O)[O-])cs1 ZINC001589258436 985909586 /nfs/dbraw/zinc/90/95/86/985909586.db2.gz YSZIGLFOPMTWKB-UHFFFAOYSA-N -1 0 341.747 3.694 20 0 EHADRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001599966442 985915429 /nfs/dbraw/zinc/91/54/29/985915429.db2.gz QVTXUINTDDTDLX-PWSUYJOCSA-N -1 0 334.803 3.503 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)Cc1cccc(C)c1Cl ZINC001589266981 985942883 /nfs/dbraw/zinc/94/28/83/985942883.db2.gz QGUMWSIKTTYMTG-UHFFFAOYSA-N -1 0 346.766 3.697 20 0 EHADRM CC(=O)c1cccc(C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)c1 ZINC001589310061 986084218 /nfs/dbraw/zinc/08/42/18/986084218.db2.gz YBVWXYMDHYJEPF-UHFFFAOYSA-N -1 0 341.363 3.627 20 0 EHADRM C[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2Cl)Cc2ccccc2O1 ZINC001594534215 986142551 /nfs/dbraw/zinc/14/25/51/986142551.db2.gz HWYMICDFEMAOQL-GFCCVEGCSA-N -1 0 331.799 3.821 20 0 EHADRM Cc1c(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)ccn1C(C)C ZINC001599980563 986156407 /nfs/dbraw/zinc/15/64/07/986156407.db2.gz MNGSXZDISAOQEI-QGZVFWFLSA-N -1 0 328.412 3.713 20 0 EHADRM Cc1c2ccccc2oc1C(=O)Nc1c2cccnc2n(C)c1C(=O)[O-] ZINC001599983390 986195466 /nfs/dbraw/zinc/19/54/66/986195466.db2.gz OOIRMCSEOATHON-UHFFFAOYSA-N -1 0 349.346 3.578 20 0 EHADRM C[C@@H]1CN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)[C@@H](C)[C@H](C)O1 ZINC001594547382 986224651 /nfs/dbraw/zinc/22/46/51/986224651.db2.gz JYSDKUCYHUEPMV-AGIUHOORSA-N -1 0 346.452 3.506 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)Nc1nn(C)cc1C(=O)[O-] ZINC001599985704 986224681 /nfs/dbraw/zinc/22/46/81/986224681.db2.gz WBIYAPAAIMANQA-UHFFFAOYSA-N -1 0 349.346 3.578 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CC[C@H](C)C2(CCC2)C1 ZINC001597014707 986362971 /nfs/dbraw/zinc/36/29/71/986362971.db2.gz IMQOUZYIKQMZJB-ZDUSSCGKSA-N -1 0 346.427 3.828 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC001597016156 986375039 /nfs/dbraw/zinc/37/50/39/986375039.db2.gz MQXVQNFLUCCTDP-CQSZACIVSA-N -1 0 345.782 3.715 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CCCC1(CC)CC ZINC001597016966 986388863 /nfs/dbraw/zinc/38/88/63/986388863.db2.gz OUDSFHMZVUDLMW-UHFFFAOYSA-N -1 0 334.416 3.970 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1 ZINC001597038084 986483111 /nfs/dbraw/zinc/48/31/11/986483111.db2.gz CHECDZIHEQHYKC-QQVUYCAZSA-N -1 0 339.819 3.502 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC001597038279 986484042 /nfs/dbraw/zinc/48/40/42/986484042.db2.gz JEUYTTQLUYVXLY-UHFFFAOYSA-N -1 0 339.819 3.598 20 0 EHADRM C[C@@H](C(=O)NCCc1ccccc1C(=O)[O-])c1cc2ccccc2o1 ZINC001589410053 986610699 /nfs/dbraw/zinc/61/06/99/986610699.db2.gz RCETZBZXBKZLIS-CYBMUJFWSA-N -1 0 337.375 3.593 20 0 EHADRM C[C@@H]1Cc2cc(C(=O)Nc3cc(C(=O)[O-])cc4cccnc43)ccc2O1 ZINC001594614690 986627776 /nfs/dbraw/zinc/62/77/76/986627776.db2.gz DSRJGGCEEWCIFI-LLVKDONJSA-N -1 0 348.358 3.509 20 0 EHADRM C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1)c1cccnc1 ZINC001589422894 986671145 /nfs/dbraw/zinc/67/11/45/986671145.db2.gz DHGBIIFJDQTXHA-LIRRHRJNSA-N -1 0 348.402 3.671 20 0 EHADRM C[C@H](C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001589423592 986680797 /nfs/dbraw/zinc/68/07/97/986680797.db2.gz LXEKWOKJTOEPQD-NURSFMCSSA-N -1 0 344.238 3.857 20 0 EHADRM C[C@H]1N(C(=O)c2cc(F)cc(C(=O)[O-])c2)c2ccccc2C1(C)C ZINC001594624621 986685617 /nfs/dbraw/zinc/68/56/17/986685617.db2.gz AEBUVLDGJFGLAJ-LLVKDONJSA-N -1 0 327.355 3.850 20 0 EHADRM CCOc1ccc(Cl)c(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC001597105612 986739611 /nfs/dbraw/zinc/73/96/11/986739611.db2.gz GNUNAARDVNFDFQ-NWDGAFQWSA-N -1 0 325.792 3.568 20 0 EHADRM C[C@@H](C(=O)Nc1cccc(C(=O)[O-])n1)c1c(Cl)cccc1Cl ZINC001589439860 986780301 /nfs/dbraw/zinc/78/03/01/986780301.db2.gz MXYWYSNDKCXTHM-MRVPVSSYSA-N -1 0 339.178 3.829 20 0 EHADRM CCOc1ccc(NC(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)c(C)c1 ZINC001597118658 986801051 /nfs/dbraw/zinc/80/10/51/986801051.db2.gz YONUKQJUYPQATJ-UHFFFAOYSA-N -1 0 346.383 3.657 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2cncc3ccccc32)cc1 ZINC000536675011 1032113963 /nfs/dbraw/zinc/11/39/63/1032113963.db2.gz YFMRNFVIASGNOG-UHFFFAOYSA-N -1 0 326.421 3.988 20 0 EHADRM CCOc1ccc(NC(=O)N2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)c(C)c1 ZINC001597119401 986806265 /nfs/dbraw/zinc/80/62/65/986806265.db2.gz VBIAVDUSTLVEOZ-LIRRHRJNSA-N -1 0 346.427 3.502 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)[C@@H]1CC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC001589453375 986861373 /nfs/dbraw/zinc/86/13/73/986861373.db2.gz FWCSJULUVAHFEB-GHYVTOPFSA-N -1 0 343.345 3.543 20 0 EHADRM O=C(Nc1nc(-c2ccccc2)ns1)c1c([O-])cccc1Cl ZINC000728207253 1015258738 /nfs/dbraw/zinc/25/87/38/1015258738.db2.gz JUKGGQNMWUOGGG-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM CCOc1ccc(SCC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)cc1 ZINC001597140483 986886699 /nfs/dbraw/zinc/88/66/99/986886699.db2.gz YOZXJFGBPPCGAD-UHFFFAOYSA-N -1 0 333.409 3.703 20 0 EHADRM CCOc1ccc2ccccc2c1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001597144031 986902455 /nfs/dbraw/zinc/90/24/55/986902455.db2.gz NPMUQRFXVVCQFQ-UHFFFAOYSA-N -1 0 349.386 3.867 20 0 EHADRM CCOc1cccc(/C=C\C(=O)Nc2cc(C(=O)[O-])ccc2F)c1 ZINC001597149929 986922935 /nfs/dbraw/zinc/92/29/35/986922935.db2.gz MTWDYFOXQFXVMY-TWGQIWQCSA-N -1 0 329.327 3.575 20 0 EHADRM C[C@H]1c2ccccc2CCN1C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001594666925 986968568 /nfs/dbraw/zinc/96/85/68/986968568.db2.gz CHCSPHNKHPYNBK-ZDUSSCGKSA-N -1 0 348.402 3.555 20 0 EHADRM CCOc1cccc(NC(=S)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC001597161699 986969048 /nfs/dbraw/zinc/96/90/48/986969048.db2.gz LLUFMQMVCHITBO-UHFFFAOYSA-N -1 0 344.436 3.911 20 0 EHADRM CCOc1ccccc1C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001597168560 986998636 /nfs/dbraw/zinc/99/86/36/986998636.db2.gz SGBIYYOTDZWRJV-IBGZPJMESA-N -1 0 349.386 3.794 20 0 EHADRM CCOc1ccccc1CN(C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001597172193 987001267 /nfs/dbraw/zinc/00/12/67/987001267.db2.gz FSUMJOXCMCUDTP-UHFFFAOYSA-N -1 0 342.395 3.756 20 0 EHADRM CCOc1ccccc1[C@H](CC)NC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC001597172603 987004990 /nfs/dbraw/zinc/00/49/90/987004990.db2.gz HBZNDNFUJRUEDX-HNNXBMFYSA-N -1 0 345.439 3.688 20 0 EHADRM CCOc1ccccc1CCC(=O)O[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001597173842 987022337 /nfs/dbraw/zinc/02/23/37/987022337.db2.gz RCMRYWMCWBWLEO-LBPRGKRZSA-N -1 0 332.352 3.614 20 0 EHADRM CCOc1cncc(CN2CCCCc3cc(C(=O)[O-])ccc32)c1 ZINC001597189107 987064386 /nfs/dbraw/zinc/06/43/86/987064386.db2.gz GWGZQPGFXFQLNY-UHFFFAOYSA-N -1 0 326.396 3.521 20 0 EHADRM C/C=C\c1ccc(OCC(=O)Nc2ccsc2C(=O)[O-])c(OC)c1 ZINC001594692066 987100425 /nfs/dbraw/zinc/10/04/25/987100425.db2.gz RIPMFDVSZYMMJV-ARJAWSKDSA-N -1 0 347.392 3.506 20 0 EHADRM CC/C(=C\C(=O)Oc1cccc(C(=O)[O-])c1)c1ccc(OC)cc1 ZINC001594693759 987103561 /nfs/dbraw/zinc/10/35/61/987103561.db2.gz CWAICJMZSDGRDA-OUKQBFOZSA-N -1 0 326.348 3.792 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2CCc3cc(F)ccc32)cc1 ZINC001589509704 987133189 /nfs/dbraw/zinc/13/31/89/987133189.db2.gz QACNCAZCZVPTDB-NSHDSACASA-N -1 0 328.343 3.608 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2ccoc2C(F)(F)F)c1 ZINC001589531346 987202118 /nfs/dbraw/zinc/20/21/18/987202118.db2.gz DHUNDIIAMHBESN-QMMMGPOBSA-N -1 0 327.258 3.739 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)Nc2cc(F)c(F)c(F)c2)c1 ZINC001589533402 987226618 /nfs/dbraw/zinc/22/66/18/987226618.db2.gz OBIUAYDGCVDGKT-MRVPVSSYSA-N -1 0 338.285 3.936 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)Cn2ccc3ccc(F)cc32)c1 ZINC001589533411 987226647 /nfs/dbraw/zinc/22/66/47/987226647.db2.gz OEKQWUCZWZQYJE-LBPRGKRZSA-N -1 0 340.354 3.607 20 0 EHADRM CCS[C@@H](C(=O)NC[C@@H](C(=O)[O-])C1CCCCCC1)C(C)C ZINC001597251160 987240565 /nfs/dbraw/zinc/24/05/65/987240565.db2.gz HBMVPUDVOYLDDG-HUUCEWRRSA-N -1 0 329.506 3.552 20 0 EHADRM C[C@H](C(=O)O[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC001589544054 987264230 /nfs/dbraw/zinc/26/42/30/987264230.db2.gz VNPSWJZORLOMKQ-ZKYQVNSYSA-N -1 0 344.329 3.996 20 0 EHADRM C[C@H](C(=O)O[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)c1ccc(Cl)s1 ZINC001589544331 987264807 /nfs/dbraw/zinc/26/48/07/987264807.db2.gz ZBEOORKUNOTFJX-HWUMTFDVSA-N -1 0 328.817 3.548 20 0 EHADRM CCS[C@@H]1CCC[C@H]1NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001597258486 987269374 /nfs/dbraw/zinc/26/93/74/987269374.db2.gz NNQUQGYGKRXTQK-ZJIFWQFVSA-N -1 0 348.468 3.670 20 0 EHADRM CC[C@H](C(=O)Nc1cc(C(=O)[O-])cnc1Cl)c1ccc(OC)cc1 ZINC001594735946 987272938 /nfs/dbraw/zinc/27/29/38/987272938.db2.gz RWSJBSZSNKVPSU-ZDUSSCGKSA-N -1 0 348.786 3.574 20 0 EHADRM CCSCC[C@@H](C)N(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001597259286 987279502 /nfs/dbraw/zinc/27/95/02/987279502.db2.gz OJFJGHTVUBRZCV-SNVBAGLBSA-N -1 0 342.436 3.828 20 0 EHADRM CCSCC[C@H](C)N(C)C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001597259332 987280340 /nfs/dbraw/zinc/28/03/40/987280340.db2.gz QQCVVTLSTWEELN-NSHDSACASA-N -1 0 349.456 3.862 20 0 EHADRM CC[C@H](C(=O)NCc1ccc(OC)c(C(=O)[O-])c1)C1CCC(C)CC1 ZINC001594737589 987282364 /nfs/dbraw/zinc/28/23/64/987282364.db2.gz ZIFAGIMNUTVEEW-BCLQGDPASA-N -1 0 347.455 3.862 20 0 EHADRM C[C@@H](C(=O)Oc1ccccc1C(=O)[O-])c1cccc(Br)c1 ZINC001589552433 987286351 /nfs/dbraw/zinc/28/63/51/987286351.db2.gz FPNKUHNIOVFQES-SNVBAGLBSA-N -1 0 349.180 3.856 20 0 EHADRM CCSCc1cc(C(=O)Nc2cccc(C(=O)[O-])c2Cl)no1 ZINC001597263522 987288547 /nfs/dbraw/zinc/28/85/47/987288547.db2.gz HEJQJPATZPLPQS-UHFFFAOYSA-N -1 0 340.788 3.532 20 0 EHADRM CCSCc1ccc(NC(=O)NCc2cc(C(=O)[O-])co2)cc1 ZINC001597265112 987294057 /nfs/dbraw/zinc/29/40/57/987294057.db2.gz IJWJBJXTMOQKBE-UHFFFAOYSA-N -1 0 334.397 3.553 20 0 EHADRM CCSc1cc(C(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)ccn1 ZINC001597268576 987311346 /nfs/dbraw/zinc/31/13/46/987311346.db2.gz WTCLPSADFKRXER-UHFFFAOYSA-N -1 0 337.784 3.764 20 0 EHADRM CCSc1ccc(CC(=O)N2CCc3cc(C(=O)[O-])ccc32)cc1 ZINC001597272319 987319963 /nfs/dbraw/zinc/31/99/63/987319963.db2.gz DKAFMABLNVVWIV-UHFFFAOYSA-N -1 0 341.432 3.629 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])nc1)c1ccc(C)c(F)c1 ZINC001597288354 987370024 /nfs/dbraw/zinc/37/00/24/987370024.db2.gz FDIZRWFPQDNAOZ-CQSZACIVSA-N -1 0 331.347 3.500 20 0 EHADRM CC[C@@H](NC(=O)c1ccccc1S[C@H](C)C(=O)[O-])c1ccccn1 ZINC001597291636 987380708 /nfs/dbraw/zinc/38/07/08/987380708.db2.gz PLPZYGHXXVMFAJ-TZMCWYRMSA-N -1 0 344.436 3.528 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)NCC[C@@H]1CC[C@@H]2C[C@@H]21)c1ccccc1 ZINC001589593250 987407039 /nfs/dbraw/zinc/40/70/39/987407039.db2.gz GCACEDRTKXPLCJ-RKTXRCNFSA-N -1 0 344.455 3.574 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)NCC[C@@H]1CC[C@H]2C[C@H]21)c1ccccc1 ZINC001589593249 987407180 /nfs/dbraw/zinc/40/71/80/987407180.db2.gz GCACEDRTKXPLCJ-QSPRXWTASA-N -1 0 344.455 3.574 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1cc(N)ccc1Cl)c1ccccc1 ZINC001589598257 987418852 /nfs/dbraw/zinc/41/88/52/987418852.db2.gz IDEKLMDFHMCENW-HNNXBMFYSA-N -1 0 346.814 3.504 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)/C=C/CCc2ccccc2)C1 ZINC001589605842 987451277 /nfs/dbraw/zinc/45/12/77/987451277.db2.gz RLDUPCDVOFWTJN-BNXPMYBGSA-N -1 0 329.440 3.525 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001589611706 987467545 /nfs/dbraw/zinc/46/75/45/987467545.db2.gz ULWVFUMIOQYKJK-CWRNSKLLSA-N -1 0 349.858 3.793 20 0 EHADRM CC(C)(C(=O)[O-])N(Cc1ccccc1)C(=O)[C@@H](F)c1ccccc1 ZINC001589616494 987480603 /nfs/dbraw/zinc/48/06/03/987480603.db2.gz FHCGHULEIIFXTO-INIZCTEOSA-N -1 0 329.371 3.589 20 0 EHADRM CCc1[nH]c(C(=O)N2CC3(CCCC3)[C@@H]2C(C)C)c(C)c1C(=O)[O-] ZINC001597357623 987507988 /nfs/dbraw/zinc/50/79/88/987507988.db2.gz DTFKQFBJJVMZMZ-INIZCTEOSA-N -1 0 332.444 3.625 20 0 EHADRM CCc1[nH]c(C(=O)N2CC[C@H]([C@@H]3CCCC3(C)C)C2)c(C)c1C(=O)[O-] ZINC001597357887 987511829 /nfs/dbraw/zinc/51/18/29/987511829.db2.gz NXLKSCOWFUCDNJ-KBPBESRZSA-N -1 0 346.471 3.872 20 0 EHADRM CCc1[nH]c(C(=O)N[C@@H](CC)c2ccccc2F)c(C)c1C(=O)[O-] ZINC001597383631 987584527 /nfs/dbraw/zinc/58/45/27/987584527.db2.gz FHDYIHIWCJGSSX-ZDUSSCGKSA-N -1 0 332.375 3.604 20 0 EHADRM CCc1[nH]c(CN2CC[C@@H](Oc3ccccc3Cl)C2)cc1C(=O)[O-] ZINC001597385096 987593068 /nfs/dbraw/zinc/59/30/68/987593068.db2.gz QEFBSUJISSCJLL-CYBMUJFWSA-N -1 0 348.830 3.582 20 0 EHADRM CCc1c2ccccc2oc1C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC001597405938 987678340 /nfs/dbraw/zinc/67/83/40/987678340.db2.gz ISKREHSNJJZPAD-GOSISDBHSA-N -1 0 349.386 3.819 20 0 EHADRM CC(C)(C)C(=O)CCCC(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC001589686094 987730146 /nfs/dbraw/zinc/73/01/46/987730146.db2.gz NCPHEPKTBVWAQO-UHFFFAOYSA-N -1 0 349.427 3.654 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)c1ccc2ccc(Cl)cc2n1 ZINC001589704264 987809648 /nfs/dbraw/zinc/80/96/48/987809648.db2.gz HELZHPPGDTWHRA-AWEZNQCLSA-N -1 0 334.803 3.507 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)/C=C\c1cc(C(=O)[O-])co1)c1ccccc1 ZINC001589712998 987851817 /nfs/dbraw/zinc/85/18/17/987851817.db2.gz XKRGVYUELHYYOG-IBSYWUHOSA-N -1 0 327.380 3.895 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H](C)CNc1ccccc1 ZINC001597456441 987861160 /nfs/dbraw/zinc/86/11/60/987861160.db2.gz CKNKOPFOATVHOJ-ZDUSSCGKSA-N -1 0 341.411 3.569 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC001597456913 987867444 /nfs/dbraw/zinc/86/74/44/987867444.db2.gz DTKWRPBLEPREGU-VQIMIIECSA-N -1 0 342.370 3.706 20 0 EHADRM CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001589728507 987933956 /nfs/dbraw/zinc/93/39/56/987933956.db2.gz MZVQHENITHHXEK-ARFHVFGLSA-N -1 0 338.492 3.639 20 0 EHADRM CCc1cc(Cl)cnc1NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001597476490 987939669 /nfs/dbraw/zinc/93/96/69/987939669.db2.gz DVVSBJSGNQXKJN-UHFFFAOYSA-N -1 0 339.178 3.901 20 0 EHADRM CS[C@@H]1CC[C@H](N(C)C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC001599788144 987960064 /nfs/dbraw/zinc/96/00/64/987960064.db2.gz OHRPYXBQQDWGEM-XUWVNRHRSA-N -1 0 348.468 3.623 20 0 EHADRM CCc1cc(NC(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)ccc1F ZINC001597482053 987976133 /nfs/dbraw/zinc/97/61/33/987976133.db2.gz YRXAIFXWPAXUSN-UHFFFAOYSA-N -1 0 334.347 3.652 20 0 EHADRM CCc1cc(O)ccc1NC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001597482287 987977336 /nfs/dbraw/zinc/97/73/36/987977336.db2.gz DBDJKAUFMSTDSQ-GFCCVEGCSA-N -1 0 342.395 3.862 20 0 EHADRM CCc1cc(NC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])ccc1F ZINC001597483444 987987724 /nfs/dbraw/zinc/98/77/24/987987724.db2.gz RHDCWPGIXPXKMH-UHFFFAOYSA-N -1 0 340.354 3.749 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)c1ccc(Oc2ccccc2)o1)C(=O)[O-] ZINC001589750789 988047428 /nfs/dbraw/zinc/04/74/28/988047428.db2.gz CNPQIUXYEZCNIS-ZDUSSCGKSA-N -1 0 331.368 3.691 20 0 EHADRM CCc1ccc(C(C)(C)C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc1 ZINC001597508245 988084987 /nfs/dbraw/zinc/08/49/87/988084987.db2.gz IREICKJMKDMQIQ-DYESRHJHSA-N -1 0 343.467 3.630 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)cc1 ZINC001597511591 988091451 /nfs/dbraw/zinc/09/14/51/988091451.db2.gz FIJRINHHKHQYCY-AVYPCKFXSA-N -1 0 331.456 3.892 20 0 EHADRM CSCCCC(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001599797363 988119153 /nfs/dbraw/zinc/11/91/53/988119153.db2.gz HAIHWJRXHSEOPV-GFCCVEGCSA-N -1 0 337.224 3.806 20 0 EHADRM CCc1ccc([C@@H](NC(=O)[C@@H](CC)C(=O)[O-])c2cccc(F)c2)cc1 ZINC001597514951 988124765 /nfs/dbraw/zinc/12/47/65/988124765.db2.gz ZKMGZKNUOCVGLO-QZTJIDSGSA-N -1 0 343.398 3.705 20 0 EHADRM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2csc(C(=O)[O-])n2)o1 ZINC001597516244 988126604 /nfs/dbraw/zinc/12/66/04/988126604.db2.gz BSIDVEMETWTMDD-MFKMUULPSA-N -1 0 348.424 3.610 20 0 EHADRM CC(C)(C)CCCNC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001589774397 988132539 /nfs/dbraw/zinc/13/25/39/988132539.db2.gz IWLWKQYBIPSEBH-UHFFFAOYSA-N -1 0 344.358 3.934 20 0 EHADRM CC(C)(C)CSCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC001589784298 988163282 /nfs/dbraw/zinc/16/32/82/988163282.db2.gz LTMJKCCKPONKHE-UHFFFAOYSA-N -1 0 327.471 3.653 20 0 EHADRM CC(C)(C)Cc1ccccc1C(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001589788767 988171674 /nfs/dbraw/zinc/17/16/74/988171674.db2.gz DHYMRFQCHIKNRJ-UHFFFAOYSA-N -1 0 339.435 3.832 20 0 EHADRM CC(C)(C)Cc1ccccc1C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001589789195 988175017 /nfs/dbraw/zinc/17/50/17/988175017.db2.gz UHDBTAUKTOPWTK-UHFFFAOYSA-N -1 0 331.437 3.965 20 0 EHADRM CCc1ccc(Cl)c(CC)c1NC(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001597530702 988187887 /nfs/dbraw/zinc/18/78/87/988187887.db2.gz KDSMFOBTCNANMF-ZWNOBZJWSA-N -1 0 338.835 3.792 20 0 EHADRM CCc1ccc(N(CC(=O)c2cc(C(=O)[O-])[nH]c2C)CC2CC2)cc1 ZINC001597530792 988188844 /nfs/dbraw/zinc/18/88/44/988188844.db2.gz OVMWQRPAXAYQBR-UHFFFAOYSA-N -1 0 340.423 3.683 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)NCc1ccoc1C(=O)[O-] ZINC001599802318 988197725 /nfs/dbraw/zinc/19/77/25/988197725.db2.gz XJXDHUPRXIPZKB-UHFFFAOYSA-N -1 0 345.376 3.517 20 0 EHADRM CCc1ccc(N2CCN(Cc3ccc(C(=O)[O-])o3)CC2)cc1Cl ZINC001597535731 988207418 /nfs/dbraw/zinc/20/74/18/988207418.db2.gz STFIBCOROYHCDP-UHFFFAOYSA-N -1 0 348.830 3.516 20 0 EHADRM CSc1cc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(C)c2)ccc1F ZINC001599806611 988266722 /nfs/dbraw/zinc/26/67/22/988266722.db2.gz LTJRHIJFXAXCQT-HNNXBMFYSA-N -1 0 347.411 3.802 20 0 EHADRM CCc1ccc(NC(=O)c2noc3c2CC(C)(C)CC3)c(C(=O)[O-])c1 ZINC001597551436 988274928 /nfs/dbraw/zinc/27/49/28/988274928.db2.gz GQHRMOONIBVUDB-UHFFFAOYSA-N -1 0 342.395 3.702 20 0 EHADRM CCc1ccc(NC(=O)c2csc([C@H]3CCCO3)n2)c(C(=O)[O-])c1 ZINC001597552327 988279444 /nfs/dbraw/zinc/27/94/44/988279444.db2.gz UGVOTERCNILQMG-CQSZACIVSA-N -1 0 346.408 3.508 20 0 EHADRM CSc1cc(C)c(C(=O)NC[C@@H](C(=O)[O-])C2CCCCCC2)o1 ZINC001599808593 988296322 /nfs/dbraw/zinc/29/63/22/988296322.db2.gz MVISEKDTEUDRFL-CYBMUJFWSA-N -1 0 339.457 3.711 20 0 EHADRM CSc1cc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)ccc1Cl ZINC001599809151 988304078 /nfs/dbraw/zinc/30/40/78/988304078.db2.gz VJNJWENTMCALSO-ZJUUUORDSA-N -1 0 327.833 3.891 20 0 EHADRM CCc1ccc2c(c1)[C@H](OC(=O)C13CCC(C(=O)[O-])(CC1)C3)CCO2 ZINC001597569491 988336454 /nfs/dbraw/zinc/33/64/54/988336454.db2.gz WNPZSDCGMOVKAJ-PBPGXSGUSA-N -1 0 344.407 3.651 20 0 EHADRM CCc1ccc2nc(NC(=O)c3ccc(/C=C/C(=O)[O-])o3)sc2c1 ZINC001597570274 988341798 /nfs/dbraw/zinc/34/17/98/988341798.db2.gz CPSXKPWGXDMBKD-VMPITWQZSA-N -1 0 342.376 3.802 20 0 EHADRM CCc1ccc2occ(C(=O)N3CCc4c3cccc4C(=O)[O-])c2c1 ZINC001597570388 988343921 /nfs/dbraw/zinc/34/39/21/988343921.db2.gz GRTCPICRELLEBL-UHFFFAOYSA-N -1 0 335.359 3.896 20 0 EHADRM CSc1ccc(C)c(NC(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])c1 ZINC001599812020 988354050 /nfs/dbraw/zinc/35/40/50/988354050.db2.gz FKKAMLVNVSHBMY-KGLIPLIRSA-N -1 0 336.457 3.872 20 0 EHADRM CSc1ccc(/C=C\C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)s1 ZINC001599812546 988362056 /nfs/dbraw/zinc/36/20/56/988362056.db2.gz MWZHHLLKTSSJEK-SIJIIQCFSA-N -1 0 347.461 3.768 20 0 EHADRM CSc1ccc(CCC(=O)O[C@H](C)c2cc(C(=O)[O-])co2)cc1 ZINC001599812706 988366229 /nfs/dbraw/zinc/36/62/29/988366229.db2.gz NHNMMZDGURZGIF-LLVKDONJSA-N -1 0 334.393 3.937 20 0 EHADRM CCc1cccc(CNC(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC001597586259 988403213 /nfs/dbraw/zinc/40/32/13/988403213.db2.gz CWBWATSKYLFHHI-UHFFFAOYSA-N -1 0 326.396 3.588 20 0 EHADRM CSc1ccc(NC(=O)N2CCC(C3CC3)CC2)cc1C(=O)[O-] ZINC001599816617 988436344 /nfs/dbraw/zinc/43/63/44/988436344.db2.gz JHJFUNJJANRNGA-UHFFFAOYSA-N -1 0 334.441 3.761 20 0 EHADRM CSc1ccc(NC(=O)N[C@H]2CC3CCC2CC3)cc1C(=O)[O-] ZINC001599817012 988444219 /nfs/dbraw/zinc/44/42/19/988444219.db2.gz CICPLCGPRXWRKU-MGULZYLOSA-N -1 0 334.441 3.807 20 0 EHADRM CSc1ccc(NC(=O)c2c3cn[nH]c3ccc2C)cc1C(=O)[O-] ZINC001599819044 988480520 /nfs/dbraw/zinc/48/05/20/988480520.db2.gz IACROFYDOFKRGN-UHFFFAOYSA-N -1 0 341.392 3.544 20 0 EHADRM CSc1ccc([C@H](C)NC(=O)c2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC001599820758 988509879 /nfs/dbraw/zinc/50/98/79/988509879.db2.gz ABOMYGZWBOBAPB-RUYJGKKWSA-N -1 0 331.393 3.590 20 0 EHADRM CSc1cccc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC001599821857 988527991 /nfs/dbraw/zinc/52/79/91/988527991.db2.gz KOHQYXHYFZTWJA-LBPRGKRZSA-N -1 0 329.421 3.924 20 0 EHADRM CSc1ccccc1CC(=O)N[C@@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC001599823351 988554027 /nfs/dbraw/zinc/55/40/27/988554027.db2.gz PBTYJLVNBFUZDX-GOSISDBHSA-N -1 0 343.448 3.510 20 0 EHADRM CCc1ccsc1C(=O)Oc1cc(/C=C\C(=O)[O-])ccc1OC ZINC001597625700 988573753 /nfs/dbraw/zinc/57/37/53/988573753.db2.gz DIRMFVVNWCODTM-ALCCZGGFSA-N -1 0 332.377 3.636 20 0 EHADRM CSc1cccnc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001599825664 988594781 /nfs/dbraw/zinc/59/47/81/988594781.db2.gz KKZGWXAULFNXLQ-UHFFFAOYSA-N -1 0 340.763 3.547 20 0 EHADRM CSc1ccsc1C(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1 ZINC001599826555 988606377 /nfs/dbraw/zinc/60/63/77/988606377.db2.gz QQABGQVOBHLZPB-LBPRGKRZSA-N -1 0 335.450 3.724 20 0 EHADRM C[C@@H](C1CCCCC1)N(C)C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001599833419 988707522 /nfs/dbraw/zinc/70/75/22/988707522.db2.gz IMEADIBVQDCPAR-AWEZNQCLSA-N -1 0 348.443 3.973 20 0 EHADRM C[C@@H](CC1CCCCC1)NC(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001599834474 988721257 /nfs/dbraw/zinc/72/12/57/988721257.db2.gz GJRBFWCTJQIGLG-AWEZNQCLSA-N -1 0 344.455 3.811 20 0 EHADRM C[C@@H](NC(=O)C1(C(=O)[O-])CC2(CCC2)C1)c1ccc2c(c1)CCCC2 ZINC001599837863 988774073 /nfs/dbraw/zinc/77/40/73/988774073.db2.gz ZEZXYTLWNXZGLV-CQSZACIVSA-N -1 0 341.451 3.778 20 0 EHADRM C[C@@H](NC(=O)CCCCC(=O)[O-])c1cc(Cl)ccc1OC(F)F ZINC001599837998 988776360 /nfs/dbraw/zinc/77/63/60/988776360.db2.gz AUBJKIGSVVOZAH-SECBINFHSA-N -1 0 349.761 3.764 20 0 EHADRM C[C@@H](NC(=O)/C=C/c1cc(C(=O)[O-])co1)c1ccc2c(c1)CCCC2 ZINC001599838102 988777355 /nfs/dbraw/zinc/77/73/55/988777355.db2.gz PEOCMHGFQYQWJA-MMQHEFTJSA-N -1 0 339.391 3.747 20 0 EHADRM CCc1nc(NC(=O)CCc2cc(C)cc(C)c2)sc1C(=O)[O-] ZINC001597678879 988800323 /nfs/dbraw/zinc/80/03/23/988800323.db2.gz WXRAFVGUTNIBCI-UHFFFAOYSA-N -1 0 332.425 3.592 20 0 EHADRM CCc1nc(NC(=O)c2ccc(-c3ccccc3)[nH]2)sc1C(=O)[O-] ZINC001597681422 988812709 /nfs/dbraw/zinc/81/27/09/988812709.db2.gz BCUUSSRLRDUWDB-UHFFFAOYSA-N -1 0 341.392 3.651 20 0 EHADRM CCc1nc(NC(=O)c2cc(F)c(Cl)cc2F)sc1C(=O)[O-] ZINC001597682334 988822030 /nfs/dbraw/zinc/82/20/30/988822030.db2.gz VRNNXPUJXPUWTM-UHFFFAOYSA-N -1 0 346.742 3.588 20 0 EHADRM CCc1ncc(CSc2nc(C(F)(F)F)ccc2C(=O)[O-])o1 ZINC001597701180 988925519 /nfs/dbraw/zinc/92/55/19/988925519.db2.gz ZLBUOOVQLWHLBO-UHFFFAOYSA-N -1 0 332.303 3.641 20 0 EHADRM CCc1nccc(NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])n1 ZINC001597702687 988932420 /nfs/dbraw/zinc/93/24/20/988932420.db2.gz DOIIDLRJSNPOJN-QGZVFWFLSA-N -1 0 335.407 3.548 20 0 EHADRM C[C@@H]1CN(C(=O)N[C@@H](CC(C)(C)C)c2ccccc2)C[C@H]1CC(=O)[O-] ZINC001599856157 989090906 /nfs/dbraw/zinc/09/09/06/989090906.db2.gz VBLSPGNKCRFARC-OIISXLGYSA-N -1 0 346.471 3.916 20 0 EHADRM C[C@@H]1CN(C(=O)N[C@@H]2CCC(C)(C)c3ccccc32)C[C@H]1CC(=O)[O-] ZINC001599856230 989092586 /nfs/dbraw/zinc/09/25/86/989092586.db2.gz ATPDMQKVQZTQSN-CKEIUWERSA-N -1 0 344.455 3.551 20 0 EHADRM CCc1oc(CN2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)cc1C(=O)[O-] ZINC001597795481 989347501 /nfs/dbraw/zinc/34/75/01/989347501.db2.gz BUKWNIXHQUFSKM-XIKOKIGWSA-N -1 0 347.386 3.641 20 0 EHADRM CCc1oc(CNc2cnn(-c3ccc(C)cc3C)c2)cc1C(=O)[O-] ZINC001597804951 989409811 /nfs/dbraw/zinc/40/98/11/989409811.db2.gz PIXYRHOFROUKCR-UHFFFAOYSA-N -1 0 339.395 3.955 20 0 EHADRM CCc1oc2ccccc2c1CC(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC001597808228 989423505 /nfs/dbraw/zinc/42/35/05/989423505.db2.gz ULNMUPCLQKVNLF-UHFFFAOYSA-N -1 0 349.386 3.825 20 0 EHADRM CCn1c(C(=O)N(CC(=O)[O-])c2cccc(F)c2)cc2ccccc21 ZINC001597836900 989525020 /nfs/dbraw/zinc/52/50/20/989525020.db2.gz PCNFUEVWXHXNIC-UHFFFAOYSA-N -1 0 340.354 3.532 20 0 EHADRM CCn1cc(CC(=O)OCc2cc(C(=O)[O-])c(C)o2)c2ccccc21 ZINC001597884750 989722237 /nfs/dbraw/zinc/72/22/37/989722237.db2.gz UNAZGKUBYLHWCO-UHFFFAOYSA-N -1 0 341.363 3.547 20 0 EHADRM CCn1ccc(C(=O)Nc2sc(C3CCCCC3)cc2C(=O)[O-])n1 ZINC001597905307 989795982 /nfs/dbraw/zinc/79/59/82/989795982.db2.gz YXLRTYJFTVLRJY-UHFFFAOYSA-N -1 0 347.440 3.963 20 0 EHADRM CC[C@H](NC(=O)CC1(CC(=O)[O-])CCCCC1)c1c(C)noc1C ZINC000339677897 1015506534 /nfs/dbraw/zinc/50/65/34/1015506534.db2.gz FEAYQXKNDAXMOY-AWEZNQCLSA-N -1 0 336.432 3.674 20 0 EHADRM CC(C)(C)OC(=O)c1ccc(CN2CCCCC[C@@H]2C(=O)[O-])s1 ZINC001590364466 989829225 /nfs/dbraw/zinc/82/92/25/989829225.db2.gz MNRMNMGOPSMSRH-CYBMUJFWSA-N -1 0 339.457 3.533 20 0 EHADRM CCn1ccnc1S[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001597916969 989841684 /nfs/dbraw/zinc/84/16/84/989841684.db2.gz WAPPLDMDIQVAFX-NSHDSACASA-N -1 0 341.230 3.584 20 0 EHADRM CC(C)(C)OC[C@H]1CCCN1c1ncc(C(=O)[O-])cc1C(F)(F)F ZINC001590389540 989915861 /nfs/dbraw/zinc/91/58/61/989915861.db2.gz YGCFUQIJKRFEGB-LLVKDONJSA-N -1 0 346.349 3.583 20 0 EHADRM CCn1ncc(C(=O)Nc2ccc(C(=O)[O-])cc2C)c1-c1ccccc1 ZINC001597953510 989952281 /nfs/dbraw/zinc/95/22/81/989952281.db2.gz IASDFVPJDJYJHH-UHFFFAOYSA-N -1 0 349.390 3.829 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1cncc(-c2ccc(Cl)cc2)c1)C(=O)[O-] ZINC001590444419 990003737 /nfs/dbraw/zinc/00/37/37/990003737.db2.gz DVCHUZJKJZOCCC-OAHLLOKOSA-N -1 0 346.814 3.631 20 0 EHADRM CC(C)(C)c1ccc(C(=O)NCc2ccoc2C(=O)[O-])cc1Cl ZINC001590481543 990073486 /nfs/dbraw/zinc/07/34/86/990073486.db2.gz HKLYPTITCFFFES-UHFFFAOYSA-N -1 0 335.787 3.859 20 0 EHADRM CC(C)(C)c1ccc(COC(=O)CCc2ccc(C(=O)[O-])cc2)cn1 ZINC001590487771 990089237 /nfs/dbraw/zinc/08/92/37/990089237.db2.gz RQKZFIAHDRVPAZ-UHFFFAOYSA-N -1 0 341.407 3.753 20 0 EHADRM CC(C)(C)c1ccc(OCC(=O)OC2CCC(C(=O)[O-])CC2)cc1 ZINC001590492781 990092774 /nfs/dbraw/zinc/09/27/74/990092774.db2.gz ATPZEHWULQSBJW-UHFFFAOYSA-N -1 0 334.412 3.550 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)NCc2ccc(C(=O)[O-])cc2F)cn1 ZINC001590494580 990102425 /nfs/dbraw/zinc/10/24/25/990102425.db2.gz XZIKJPUBNLKYRF-UHFFFAOYSA-N -1 0 345.374 3.538 20 0 EHADRM CC(C)(C)c1cccc(OC(=O)CCSCC(=O)[O-])c1Cl ZINC001590498866 990110098 /nfs/dbraw/zinc/11/00/98/990110098.db2.gz LRRIPJOOVZBXEU-UHFFFAOYSA-N -1 0 330.833 3.751 20 0 EHADRM CC(C)(C)c1cccc(C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001590499421 990113138 /nfs/dbraw/zinc/11/31/38/990113138.db2.gz VCQTUCNLJRIPCF-KRWDZBQOSA-N -1 0 343.398 3.721 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCN2C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001590500557 990114846 /nfs/dbraw/zinc/11/48/46/990114846.db2.gz GOLIAMXKNMLIDK-TWGQIWQCSA-N -1 0 339.391 3.878 20 0 EHADRM CN(C(=O)C1CC=CC1)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001597998685 990128116 /nfs/dbraw/zinc/12/81/16/990128116.db2.gz RYULLULBGIKDLG-CYBMUJFWSA-N -1 0 328.195 3.544 20 0 EHADRM CC(C)(C)c1nc(C(=O)O[C@@H]2CCCc3cc(C(=O)[O-])ccc32)co1 ZINC001590537573 990156636 /nfs/dbraw/zinc/15/66/36/990156636.db2.gz NKTNGZGJUNULSW-OAHLLOKOSA-N -1 0 343.379 3.905 20 0 EHADRM CC(C)(C)c1nc(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])co1 ZINC001590537788 990157889 /nfs/dbraw/zinc/15/78/89/990157889.db2.gz SMOPULLPSZZNKC-UHFFFAOYSA-N -1 0 334.397 3.862 20 0 EHADRM CN(C(=O)/C=C/c1ccc(C(=O)[O-])o1)c1c(Cl)cccc1Cl ZINC001598006488 990159729 /nfs/dbraw/zinc/15/97/29/990159729.db2.gz ORRZGEUOTBGMRL-SOFGYWHQSA-N -1 0 340.162 3.961 20 0 EHADRM CN(C(=O)/C=C/c1ccsc1C(F)(F)F)C1(C(=O)[O-])CCCC1 ZINC001598007540 990165825 /nfs/dbraw/zinc/16/58/25/990165825.db2.gz WZIWDTCXHGHLDC-SNAWJCMRSA-N -1 0 347.358 3.636 20 0 EHADRM CC(C)(C)c1ncc(C(=O)N2CCCc3ccc(C(=O)[O-])cc32)s1 ZINC001590550544 990189144 /nfs/dbraw/zinc/18/91/44/990189144.db2.gz HNBNWCRXCVYECO-UHFFFAOYSA-N -1 0 344.436 3.732 20 0 EHADRM CC(C)(C)c1ncc(/C=C\C(=O)Nc2ccc(C(=O)[O-])s2)s1 ZINC001590555943 990194001 /nfs/dbraw/zinc/19/40/01/990194001.db2.gz DNWLNMODCZXLQZ-XQRVVYSFSA-N -1 0 336.438 3.852 20 0 EHADRM CC(C)(C)n1ccc(C(=O)O[C@@H]2CCCc3cc(C(=O)[O-])ccc32)n1 ZINC001590599854 990255670 /nfs/dbraw/zinc/25/56/70/990255670.db2.gz RSJJGSFLFAODNV-MRXNPFEDSA-N -1 0 342.395 3.571 20 0 EHADRM CC(C)(CC(=O)N[C@@H](CC1CC1)C(=O)[O-])Cc1ccc(Cl)cc1 ZINC001590621313 990301149 /nfs/dbraw/zinc/30/11/49/990301149.db2.gz ZVWPWWIRSPMMAU-HNNXBMFYSA-N -1 0 337.847 3.668 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCCSc2ccc(F)cc21 ZINC001590627932 990317326 /nfs/dbraw/zinc/31/73/26/990317326.db2.gz RDKFDAABAUAXDQ-UHFFFAOYSA-N -1 0 325.405 3.546 20 0 EHADRM CC(C)(CC(=O)c1ccccc1)CC(=O)N(CC(=O)[O-])C1CCCC1 ZINC001590648902 990335431 /nfs/dbraw/zinc/33/54/31/990335431.db2.gz LCIOQUILEDYRBP-UHFFFAOYSA-N -1 0 345.439 3.532 20 0 EHADRM CC(C)(CC(F)F)C(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001590654520 990346978 /nfs/dbraw/zinc/34/69/78/990346978.db2.gz OCVZQCYXTZDEBM-ZDUSSCGKSA-N -1 0 326.339 3.987 20 0 EHADRM CC(C)(CCC(=O)NCc1ccccc1CC(=O)[O-])c1ccccc1 ZINC001590656106 990352327 /nfs/dbraw/zinc/35/23/27/990352327.db2.gz IOSFBUQGVRHHNI-UHFFFAOYSA-N -1 0 339.435 3.688 20 0 EHADRM CN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001598073032 990374628 /nfs/dbraw/zinc/37/46/28/990374628.db2.gz UZGNMXIHYKJAHE-DTWKUNHWSA-N -1 0 349.736 3.823 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])cc1)c1nc2cccc(Cl)c2s1 ZINC001598083197 990407629 /nfs/dbraw/zinc/40/76/29/990407629.db2.gz MMNIWNHGVZQDTN-UHFFFAOYSA-N -1 0 346.795 3.925 20 0 EHADRM CN(C(=O)c1ccn(Cc2ccccc2)c1)c1ccccc1C(=O)[O-] ZINC001598093370 990440493 /nfs/dbraw/zinc/44/04/93/990440493.db2.gz BJDFYYNHJWQNPP-UHFFFAOYSA-N -1 0 334.375 3.511 20 0 EHADRM CC(C)(CNC(=O)C1(Cc2cccc(F)c2)CCCCC1)CC(=O)[O-] ZINC001590706263 990450180 /nfs/dbraw/zinc/45/01/80/990450180.db2.gz LMYYGJYBQSGPIA-UHFFFAOYSA-N -1 0 349.446 3.936 20 0 EHADRM CC(C)(CNC(=O)/C=C/c1cc(C(=O)[O-])co1)c1cccc(Cl)c1 ZINC001590708202 990458604 /nfs/dbraw/zinc/45/86/04/990458604.db2.gz SWZVMBRQNFUVAG-VOTSOKGWSA-N -1 0 347.798 3.738 20 0 EHADRM CC(C)(CNC(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1)CC(=O)[O-] ZINC001590723752 990506247 /nfs/dbraw/zinc/50/62/47/990506247.db2.gz CYPTZCZFDQDZDI-DLBZAZTESA-N -1 0 346.471 3.588 20 0 EHADRM CC(C)(CNC(=O)c1cc2cccc(Cl)c2s1)CC(=O)[O-] ZINC001590749448 990549440 /nfs/dbraw/zinc/54/94/40/990549440.db2.gz XZIJMVAOSMNDDB-UHFFFAOYSA-N -1 0 325.817 3.785 20 0 EHADRM CC(C)(CSc1nnc(Cc2c(F)cccc2Cl)o1)C(=O)[O-] ZINC001590820270 990654293 /nfs/dbraw/zinc/65/42/93/990654293.db2.gz MJTSFXMUBKCOCN-UHFFFAOYSA-N -1 0 344.795 3.656 20 0 EHADRM CC(C)(Cc1ccccc1)c1noc([C@@H]2CCC[C@@H](C(=O)[O-])C2)n1 ZINC001590827040 990671921 /nfs/dbraw/zinc/67/19/21/990671921.db2.gz LJRKYCOSKFSSEJ-HUUCEWRRSA-N -1 0 328.412 3.948 20 0 EHADRM CC(C)(NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)[C@H]1CCCCO1 ZINC001590854951 990737652 /nfs/dbraw/zinc/73/76/52/990737652.db2.gz QESXVFVROXDLHY-CYBMUJFWSA-N -1 0 340.807 3.507 20 0 EHADRM CC(C)(NC(=O)Nc1ccc(C2CCC2)cc1)c1cc(C(=O)[O-])on1 ZINC001590855633 990740874 /nfs/dbraw/zinc/74/08/74/990740874.db2.gz HBGIDVVQTASKSJ-UHFFFAOYSA-N -1 0 343.383 3.697 20 0 EHADRM CC(C)(NCc1c(Cl)ccc2cccnc21)c1nocc1C(=O)[O-] ZINC001590871421 990777374 /nfs/dbraw/zinc/77/73/74/990777374.db2.gz UAFPASUWEAXGKW-UHFFFAOYSA-N -1 0 345.786 3.599 20 0 EHADRM CC(C)(NCc1cccc(Cl)c1Cl)c1nocc1C(=O)[O-] ZINC001590872632 990780926 /nfs/dbraw/zinc/78/09/26/990780926.db2.gz KOVVYPBPMBWENA-UHFFFAOYSA-N -1 0 329.183 3.705 20 0 EHADRM CC(C)=C[C@H]1[C@@H](C(=O)N(Cc2ccccc2)[C@H](C)C(=O)[O-])C1(C)C ZINC001590914632 990899405 /nfs/dbraw/zinc/89/94/05/990899405.db2.gz JWWDGGKYHKYJFN-PVAVHDDUSA-N -1 0 329.440 3.727 20 0 EHADRM COc1cccc(SCC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c1 ZINC001599684172 990960014 /nfs/dbraw/zinc/96/00/14/990960014.db2.gz OTCKKSIUPFIERZ-LBPRGKRZSA-N -1 0 345.420 3.614 20 0 EHADRM CC(C)C(=O)c1ccc(NC(=O)N[C@@H](CC(=O)[O-])C2CCCC2)cc1 ZINC001590949638 991009214 /nfs/dbraw/zinc/00/92/14/991009214.db2.gz XHBOIOMBJYTAQT-INIZCTEOSA-N -1 0 346.427 3.680 20 0 EHADRM CC(C)[C@@H](C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1)c1cccc(Cl)c1 ZINC001590952626 991015714 /nfs/dbraw/zinc/01/57/14/991015714.db2.gz IIRNNKHDHTVJMK-PNPHSEOMSA-N -1 0 337.847 3.649 20 0 EHADRM CC(C)[C@@H](C(=O)OCc1oncc1C(=O)[O-])c1cccc(Cl)c1 ZINC001590961620 991060321 /nfs/dbraw/zinc/06/03/21/991060321.db2.gz TYCLMRBIVXQYBG-CQSZACIVSA-N -1 0 337.759 3.509 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)NC(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC001590967811 991086133 /nfs/dbraw/zinc/08/61/33/991086133.db2.gz ISRWNDMAZYJWCG-LJQANCHMSA-N -1 0 343.427 3.502 20 0 EHADRM COc1cccc2cc(CNC(=O)Nc3ccc(C(=O)[O-])s3)oc21 ZINC001599693309 991106785 /nfs/dbraw/zinc/10/67/85/991106785.db2.gz VKQCBRWOVHKPQA-UHFFFAOYSA-N -1 0 346.364 3.523 20 0 EHADRM COc1ccccc1[C@H](CC(C)C)OC(=O)c1cc(C(=O)[O-])co1 ZINC001599697811 991174477 /nfs/dbraw/zinc/17/44/77/991174477.db2.gz IRADZERJSRARDT-HNNXBMFYSA-N -1 0 332.352 3.931 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)NCC1(C)CCCCC1 ZINC001598298913 991236300 /nfs/dbraw/zinc/23/63/00/991236300.db2.gz QRNUADZAYDYDPG-UHFFFAOYSA-N -1 0 333.432 3.543 20 0 EHADRM COc1ccccc1C1(C(=O)Nc2cc(C(=O)[O-])cs2)CCC1 ZINC001599702705 991244484 /nfs/dbraw/zinc/24/44/84/991244484.db2.gz OFDFJFSYWOTRAD-UHFFFAOYSA-N -1 0 331.393 3.515 20 0 EHADRM COc1ccccc1[C@@H]1CCCCN1C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001599704570 991273971 /nfs/dbraw/zinc/27/39/71/991273971.db2.gz SNGOKKMWHYVWRL-UXLLHSPISA-N -1 0 345.439 3.640 20 0 EHADRM CN(C)c1ccc(-n2ccnc2S[C@H](C(=O)[O-])C(C)(C)C)cc1 ZINC001598308037 991279634 /nfs/dbraw/zinc/27/96/34/991279634.db2.gz UZJHULHCQVQJAF-CQSZACIVSA-N -1 0 333.457 3.530 20 0 EHADRM CC(C)[C@@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1F ZINC001591013187 991281341 /nfs/dbraw/zinc/28/13/41/991281341.db2.gz IZWPGLXOMZRXPG-QGZVFWFLSA-N -1 0 344.386 3.720 20 0 EHADRM CN(C)c1ccc(C2(c3nc(-c4ccc(C(=O)[O-])cc4)no3)CC2)cc1 ZINC001598314205 991293957 /nfs/dbraw/zinc/29/39/57/991293957.db2.gz IEWVANXRGUAHBF-UHFFFAOYSA-N -1 0 349.390 3.581 20 0 EHADRM COc1ccccc1C[C@@H](CNC(=O)[C@@H](C)CCC(C)(C)C)C(=O)[O-] ZINC001599706228 991296457 /nfs/dbraw/zinc/29/64/57/991296457.db2.gz GKEXLYRSSRWGSC-HOCLYGCPSA-N -1 0 349.471 3.517 20 0 EHADRM COc1ccccc1CCC(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001599708406 991328007 /nfs/dbraw/zinc/32/80/07/991328007.db2.gz AWQTWWMUYSTPLS-UHFFFAOYSA-N -1 0 333.409 3.643 20 0 EHADRM CN(C)c1ccc(OC(=O)c2cccc(C(C)(C)C)c2)cc1C(=O)[O-] ZINC001598328413 991349239 /nfs/dbraw/zinc/34/92/39/991349239.db2.gz KXILZGGAQLCKMG-UHFFFAOYSA-N -1 0 341.407 3.968 20 0 EHADRM CN(C)c1ccc(OC(=O)Cc2cccc3ccccc32)cc1C(=O)[O-] ZINC001598329521 991363182 /nfs/dbraw/zinc/36/31/82/991363182.db2.gz UQIQZVQPBUYAGO-UHFFFAOYSA-N -1 0 349.386 3.752 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)c1cccs1 ZINC000013388815 1015635679 /nfs/dbraw/zinc/63/56/79/1015635679.db2.gz FBEREJRHBGRMLC-NSHDSACASA-N -1 0 343.326 3.713 20 0 EHADRM CC(C)[C@@H](OC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001591046695 991435221 /nfs/dbraw/zinc/43/52/21/991435221.db2.gz DEXGAYCDWSBAKN-FRRDWIJNSA-N -1 0 330.302 3.666 20 0 EHADRM CC(C)[C@H](Sc1ccccc1)C(=O)OCc1ccc(C(=O)[O-])cn1 ZINC001591051388 991450146 /nfs/dbraw/zinc/45/01/46/991450146.db2.gz AFVQPXCYERKCGJ-INIZCTEOSA-N -1 0 345.420 3.640 20 0 EHADRM CC(C)[C@]1(C)C[C@H]1C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001591058421 991473812 /nfs/dbraw/zinc/47/38/12/991473812.db2.gz PAGCVJPUZLVCLM-KNBMTAEXSA-N -1 0 329.440 3.603 20 0 EHADRM CC(C)[C@H]1C[C@@H](CC(=O)Nc2cccc(C(=O)[O-])c2Cl)CCO1 ZINC001591073364 991541487 /nfs/dbraw/zinc/54/14/87/991541487.db2.gz WURFPTIHSLKAIU-SMDDNHRTSA-N -1 0 339.819 3.818 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cccc2ccccc21 ZINC000392214423 1032121504 /nfs/dbraw/zinc/12/15/04/1032121504.db2.gz GDGVTQNMNLAMFK-UHFFFAOYSA-N -1 0 341.388 3.647 20 0 EHADRM CC(C)[C@@H]1CCCN(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)C1 ZINC001591087632 991608838 /nfs/dbraw/zinc/60/88/38/991608838.db2.gz ONXJBBBFTQXGGB-GFCCVEGCSA-N -1 0 329.400 3.766 20 0 EHADRM COc1cncc(/C=C\CCOc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001599726626 991637925 /nfs/dbraw/zinc/63/79/25/991637925.db2.gz PTIXJYUWPXGANA-RQOWECAXSA-N -1 0 333.771 3.924 20 0 EHADRM CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001591095466 991681131 /nfs/dbraw/zinc/68/11/31/991681131.db2.gz VZGQWVSBFRWXLW-GDAAHCPNSA-N -1 0 343.467 3.953 20 0 EHADRM CC(C)[C@@H]1N(C(=O)Nc2cc(C(=O)[O-])cnc2Cl)CC12CC=CC2 ZINC001591100227 991721204 /nfs/dbraw/zinc/72/12/04/991721204.db2.gz VUHXMTVEDLPRGC-ZDUSSCGKSA-N -1 0 349.818 3.642 20 0 EHADRM CC(C)C[C@H](C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)c1ccccc1 ZINC001591117535 991776121 /nfs/dbraw/zinc/77/61/21/991776121.db2.gz CJJXHGKHCCHOMO-QKLQHJQFSA-N -1 0 329.440 3.672 20 0 EHADRM CC(C)C[C@H](C(=O)N[C@H]1CCC[C@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC001591119749 991788522 /nfs/dbraw/zinc/78/85/22/991788522.db2.gz GGQXIYWMPVLWME-PMPSAXMXSA-N -1 0 337.847 3.839 20 0 EHADRM CN(CC1(c2ccccc2)CC1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001598443803 991872869 /nfs/dbraw/zinc/87/28/69/991872869.db2.gz HHQZYKKZHSHQFC-UHFFFAOYSA-N -1 0 342.370 3.719 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1cccc2c1OC(C)(C)CC2)C(=O)[O-] ZINC001591150717 991893388 /nfs/dbraw/zinc/89/33/88/991893388.db2.gz MHBOCIRFOUQTQM-CQSZACIVSA-N -1 0 348.443 3.659 20 0 EHADRM CC(C)C[C@H](OC(=O)Cc1ccccc1C(=O)[O-])c1ccccn1 ZINC001591188127 991992167 /nfs/dbraw/zinc/99/21/67/991992167.db2.gz ITWDRPGUKAOFEO-KRWDZBQOSA-N -1 0 327.380 3.653 20 0 EHADRM CC(C)CCCC(=O)N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001591228088 992102891 /nfs/dbraw/zinc/10/28/91/992102891.db2.gz ODDUBDHSKGNIRF-AWEZNQCLSA-N -1 0 331.334 3.774 20 0 EHADRM CC(C)CC[C@@H]1CCCN1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001591229135 992109135 /nfs/dbraw/zinc/10/91/35/992109135.db2.gz VXDLHQQLYAKDRC-KRWDZBQOSA-N -1 0 332.444 3.538 20 0 EHADRM CC(C)CCCCC(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC001591237018 992120771 /nfs/dbraw/zinc/12/07/71/992120771.db2.gz SSNJRRFOGZLRIA-LBPRGKRZSA-N -1 0 325.380 3.833 20 0 EHADRM CC(C)CCO[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC001591251542 992148393 /nfs/dbraw/zinc/14/83/93/992148393.db2.gz LHYLAMVANJGKCI-KSSFIOAISA-N -1 0 343.423 3.533 20 0 EHADRM CC(C)CCOc1ccc(C(=O)N2CCCCC[C@H]2C(=O)[O-])cc1 ZINC001591259364 992162172 /nfs/dbraw/zinc/16/21/72/992162172.db2.gz HYVBELNHAZLEEX-KRWDZBQOSA-N -1 0 333.428 3.581 20 0 EHADRM CC(C)CN(C(=O)CCOc1ccc(C(C)C)cc1)C(C)(C)C(=O)[O-] ZINC001591281175 992212577 /nfs/dbraw/zinc/21/25/77/992212577.db2.gz JGUPHPULCWDCPW-UHFFFAOYSA-N -1 0 349.471 3.927 20 0 EHADRM CC(C)CN(C(=O)c1ccc(SC(F)F)cc1)C(C)(C)C(=O)[O-] ZINC001591284896 992220696 /nfs/dbraw/zinc/22/06/96/992220696.db2.gz HARSHGAAOSYNHJ-UHFFFAOYSA-N -1 0 345.411 3.963 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)[C@@H](F)CC1CCCCC1 ZINC001591309903 992270709 /nfs/dbraw/zinc/27/07/09/992270709.db2.gz NXMRDWWQLDUDEY-HNNXBMFYSA-N -1 0 329.456 3.890 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)CC(C)(C)CC(=O)c1ccccc1 ZINC001591323798 992297233 /nfs/dbraw/zinc/29/72/33/992297233.db2.gz VMDNNRGMPSGROJ-UHFFFAOYSA-N -1 0 347.455 3.635 20 0 EHADRM CS[C@H](C(=O)Nc1sc2c(c1C(=O)[O-])CCC2)c1ccccc1 ZINC001599781685 992372635 /nfs/dbraw/zinc/37/26/35/992372635.db2.gz WJZXIRBLQYCCQT-AWEZNQCLSA-N -1 0 347.461 3.978 20 0 EHADRM CSC(C)(C)CNC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001599782374 992382555 /nfs/dbraw/zinc/38/25/55/992382555.db2.gz YHPBBXMCKGLUSM-UHFFFAOYSA-N -1 0 338.454 3.863 20 0 EHADRM CC(C)COc1ccc(C(=O)Nc2cnc(C(=O)[O-])c(Cl)c2)cc1 ZINC001591396341 992457874 /nfs/dbraw/zinc/45/78/74/992457874.db2.gz AIVLXNSJRYPWGX-UHFFFAOYSA-N -1 0 348.786 3.720 20 0 EHADRM CC(C)COc1ccccc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001591409281 992483860 /nfs/dbraw/zinc/48/38/60/992483860.db2.gz AWTNBCFZAYPOGU-UHFFFAOYSA-N -1 0 349.333 3.950 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 ZINC001591422963 992505305 /nfs/dbraw/zinc/50/53/05/992505305.db2.gz SCSCRRBLBFIBSK-QWHCGFSZSA-N -1 0 349.324 3.674 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(-c2ccccc2F)o1 ZINC001591423424 992510029 /nfs/dbraw/zinc/51/00/29/992510029.db2.gz ONGSBYKIBQBJSU-AWEZNQCLSA-N -1 0 333.359 3.657 20 0 EHADRM CC(C)C[C@@H]1C[C@H]1NC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001591444464 992540293 /nfs/dbraw/zinc/54/02/93/992540293.db2.gz CZAIXFFVLBBVHK-HUUCEWRRSA-N -1 0 345.443 3.541 20 0 EHADRM CC(C)C[C@@H]1C[C@H]1NC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001591444422 992540358 /nfs/dbraw/zinc/54/03/58/992540358.db2.gz BPMKDOTUVGVYMP-UKRRQHHQSA-N -1 0 336.457 3.561 20 0 EHADRM CC(C)Cc1c[nH]c(C(=O)N2CCCCc3cc(C(=O)[O-])ccc32)c1 ZINC001591475751 992590865 /nfs/dbraw/zinc/59/08/65/992590865.db2.gz GDJSVXFGCZKPHG-UHFFFAOYSA-N -1 0 340.423 3.895 20 0 EHADRM CC(C)Cc1ccccc1C[S@](=O)[C@@H](C)c1nc(C(=O)[O-])co1 ZINC001591490969 992626105 /nfs/dbraw/zinc/62/61/05/992626105.db2.gz QACVREFIDQCDLY-MYODQAERSA-N -1 0 335.425 3.581 20 0 EHADRM CN(Cc1ccccc1)c1ccc(NC(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC001598529550 992762180 /nfs/dbraw/zinc/76/21/80/992762180.db2.gz GMRFXJUNKUGIOD-UHFFFAOYSA-N -1 0 349.390 3.602 20 0 EHADRM CN(Cc1ccccc1OCC(=O)[O-])Cc1c(F)cccc1Cl ZINC001598530872 992779043 /nfs/dbraw/zinc/77/90/43/992779043.db2.gz XAIRSXQBUNCXMR-UHFFFAOYSA-N -1 0 337.778 3.575 20 0 EHADRM CC(C)N(CCCSc1ncccc1C(=O)[O-])CC(F)(F)F ZINC001591590793 992803113 /nfs/dbraw/zinc/80/31/13/992803113.db2.gz HPBDISDJJAICQP-UHFFFAOYSA-N -1 0 336.379 3.535 20 0 EHADRM CN(Cc1ccsc1C(=O)[O-])[C@]1(c2ccccc2)CCCCC1=O ZINC001598534125 992829434 /nfs/dbraw/zinc/82/94/34/992829434.db2.gz PIXLWZGFMZBFFT-IBGZPJMESA-N -1 0 343.448 3.917 20 0 EHADRM CN(Cc1nc2ccccc2s1)Cc1[nH]cc(C(=O)[O-])c1C1CC1 ZINC001598537810 992861210 /nfs/dbraw/zinc/86/12/10/992861210.db2.gz PEKVZORZHPRERH-UHFFFAOYSA-N -1 0 341.436 3.832 20 0 EHADRM CN(c1ccc(NC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)cc1F)C1CCCCC1 ZINC001598543960 992925296 /nfs/dbraw/zinc/92/52/96/992925296.db2.gz VHCOAUISPFXGPS-BETUJISGSA-N -1 0 348.418 3.644 20 0 EHADRM O=C(COc1ccc(F)cc1F)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000179901280 1015755439 /nfs/dbraw/zinc/75/54/39/1015755439.db2.gz QTNKTOAOCMADJM-UHFFFAOYSA-N -1 0 348.132 3.995 20 0 EHADRM C[C@@H](NC(=O)NC[C@@H](CC(=O)[O-])C1CC1)c1csc2ccccc21 ZINC001593082129 993668161 /nfs/dbraw/zinc/66/81/61/993668161.db2.gz MEMAAQXSTVGZBJ-DGCLKSJQSA-N -1 0 346.452 3.762 20 0 EHADRM C[C@@H](NC(=O)Nc1cc(Cl)ccc1F)c1ncc(C(=O)[O-])s1 ZINC001593113368 993791376 /nfs/dbraw/zinc/79/13/76/993791376.db2.gz VVPJIKMVTYFPFM-ZCFIWIBFSA-N -1 0 343.767 3.517 20 0 EHADRM C[C@@H](NC(=O)c1cccc2ccccc21)c1ccc(OCC(=O)[O-])cc1 ZINC001593176205 994053644 /nfs/dbraw/zinc/05/36/44/994053644.db2.gz OGAFEKIZHAIZRC-CQSZACIVSA-N -1 0 349.386 3.794 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2scc(C(=O)[O-])c2C)cc1 ZINC001599620998 994082587 /nfs/dbraw/zinc/08/25/87/994082587.db2.gz XEXILISKGGVDLZ-JSGCOSHPSA-N -1 0 345.420 3.896 20 0 EHADRM C[C@H](NC(=S)Nc1cc(F)c(C(=O)[O-])c(F)c1)c1ccccc1 ZINC001593190335 994119839 /nfs/dbraw/zinc/11/98/39/994119839.db2.gz MFPQWNKORDSHSG-VIFPVBQESA-N -1 0 336.363 3.711 20 0 EHADRM COc1ccc2c(c1)[C@H](C(=O)OCc1cc(C(=O)[O-])sc1C)CC2 ZINC001599624259 994126235 /nfs/dbraw/zinc/12/62/35/994126235.db2.gz AYRDFTJJHOZFJP-CQSZACIVSA-N -1 0 346.404 3.537 20 0 EHADRM C[C@H](N[C@H](C(=O)[O-])c1cccc(Cl)c1Cl)c1ccccn1 ZINC001593194711 994140649 /nfs/dbraw/zinc/14/06/49/994140649.db2.gz MAASMWFIQDYZAC-XPTSAGLGSA-N -1 0 325.195 3.865 20 0 EHADRM C[C@@H](N[C@H](C(=O)[O-])c1ccccc1F)c1nc(C2CCCCC2)no1 ZINC001593196091 994151987 /nfs/dbraw/zinc/15/19/87/994151987.db2.gz UGSGRKMAFPAAOJ-ABAIWWIYSA-N -1 0 347.390 3.733 20 0 EHADRM C[C@@H](N[C@H](C)c1cccc(N2CCCC2=O)c1)c1ccc(C(=O)[O-])o1 ZINC001593199462 994179745 /nfs/dbraw/zinc/17/97/45/994179745.db2.gz YCAHBHUJGUEHLS-CHWSQXEVSA-N -1 0 342.395 3.516 20 0 EHADRM C[C@@H](N[C@H](C)c1cnc2ccsc2c1)c1ncc(C(=O)[O-])s1 ZINC001593203021 994184651 /nfs/dbraw/zinc/18/46/51/994184651.db2.gz BYUUZWPDTQXDFK-RKDXNWHRSA-N -1 0 333.438 3.863 20 0 EHADRM COc1ccc2cc(C(=O)N[C@@H](C(=O)[O-])c3ccsc3)sc2c1 ZINC001599633883 994258360 /nfs/dbraw/zinc/25/83/60/994258360.db2.gz SSWMFXJDOVTYMU-CQSZACIVSA-N -1 0 347.417 3.527 20 0 EHADRM COc1ccc2cc(/C=C/C(=O)OCC3(CC(=O)[O-])CC3)ccc2c1 ZINC001599634911 994272613 /nfs/dbraw/zinc/27/26/13/994272613.db2.gz IAPNGDPBCQATRW-XVNBXDOJSA-N -1 0 340.375 3.660 20 0 EHADRM COc1ccc2cc([C@@H](C)Nc3cnn(CC(=O)[O-])c3C)ccc2c1 ZINC001599635544 994282501 /nfs/dbraw/zinc/28/25/01/994282501.db2.gz RUTVSEYMZQUVJV-GFCCVEGCSA-N -1 0 339.395 3.611 20 0 EHADRM COc1ccc2ccc(C(=O)N3C[C@@H](C(=O)[O-])c4ccccc43)cc2c1 ZINC001599635661 994284418 /nfs/dbraw/zinc/28/44/18/994284418.db2.gz CHMQYHFFRGWTSD-GOSISDBHSA-N -1 0 347.370 3.677 20 0 EHADRM COc1ccc2ccc(C(=O)NCCCCCCC(=O)[O-])cc2c1 ZINC001599635678 994284760 /nfs/dbraw/zinc/28/47/60/994284760.db2.gz COOMKRNOHVMNAU-UHFFFAOYSA-N -1 0 329.396 3.613 20 0 EHADRM COc1cccc(-c2cc(C(=O)[O-])n(C(=O)OC(C)(C)C)c2)c1OC ZINC001599638566 994325221 /nfs/dbraw/zinc/32/52/21/994325221.db2.gz CLOHLVYKJRYBDB-UHFFFAOYSA-N -1 0 347.367 3.654 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)c1sc(C(C)C)nc1C ZINC001599644657 994407812 /nfs/dbraw/zinc/40/78/12/994407812.db2.gz RPNNLHURKXZBBV-UHFFFAOYSA-N -1 0 348.424 3.558 20 0 EHADRM COc1cccc(C(=O)O[C@@H]2CCCc3cc(C(=O)[O-])ccc32)c1 ZINC001599646410 994430610 /nfs/dbraw/zinc/43/06/10/994430610.db2.gz ZUKISKCEHZVEAL-QGZVFWFLSA-N -1 0 326.348 3.628 20 0 EHADRM COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)/C=C\C2CCCCCC2)c1 ZINC001599646908 994438092 /nfs/dbraw/zinc/43/80/92/994438092.db2.gz BOKRNANXBXBKPZ-HSNDNRACSA-N -1 0 345.439 3.806 20 0 EHADRM COc1cccc(/C(C)=C\C(=O)NC2(CCC(=O)[O-])CCCCC2)c1 ZINC001599654481 994556108 /nfs/dbraw/zinc/55/61/08/994556108.db2.gz NWFQWKOXKFXIRW-SQFISAMPSA-N -1 0 345.439 3.782 20 0 EHADRM C[C@@H](NCc1c(Cl)cccc1Cl)c1cncc(C(=O)[O-])c1 ZINC001593286629 994647519 /nfs/dbraw/zinc/64/75/19/994647519.db2.gz VBIOWFAEBRHMLX-SECBINFHSA-N -1 0 325.195 3.937 20 0 EHADRM C[C@@](NCc1cc(-c2ccc(F)cc2)no1)(C(=O)[O-])c1ccccc1 ZINC001593288789 994659401 /nfs/dbraw/zinc/65/94/01/994659401.db2.gz NKPMPNANQKAFKE-IBGZPJMESA-N -1 0 340.354 3.570 20 0 EHADRM C[C@@H](NCc1ccc(Cl)c(C(=O)[O-])n1)c1cccc(F)c1F ZINC001593298497 994715859 /nfs/dbraw/zinc/71/58/59/994715859.db2.gz JVAXOPIROWUJAN-MRVPVSSYSA-N -1 0 326.730 3.562 20 0 EHADRM COc1cccc([C@@H]2CCCN2C(=O)Nc2ccsc2C(=O)[O-])c1 ZINC001599666858 994743678 /nfs/dbraw/zinc/74/36/78/994743678.db2.gz SJJXFNMLGZPVLA-AWEZNQCLSA-N -1 0 346.408 3.824 20 0 EHADRM CNc1ccc(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)cc1F ZINC001598678261 994883563 /nfs/dbraw/zinc/88/35/63/994883563.db2.gz CKZXBDWWJYQFIM-UHFFFAOYSA-N -1 0 338.338 3.971 20 0 EHADRM CNc1ccc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c(Cl)c1 ZINC001598678296 994883619 /nfs/dbraw/zinc/88/36/19/994883619.db2.gz FGUKBRCWIOOVRD-LSDHHAIUSA-N -1 0 344.798 3.822 20 0 EHADRM CNc1ccc(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)c(Cl)c1 ZINC001598678566 994888508 /nfs/dbraw/zinc/88/85/08/994888508.db2.gz IKBZWSLDIVYWDK-UHFFFAOYSA-N -1 0 343.770 3.814 20 0 EHADRM COc1cccc(NC(=S)Nc2ccc(F)c(C(=O)[O-])c2C)c1 ZINC001599679806 994960081 /nfs/dbraw/zinc/96/00/81/994960081.db2.gz JHRVCHQJNZJSMO-UHFFFAOYSA-N -1 0 334.372 3.650 20 0 EHADRM COc1cccc(NCc2cc(C)c(C(=O)[O-])o2)c1Br ZINC001599679946 994962309 /nfs/dbraw/zinc/96/23/09/994962309.db2.gz QAEXYVBQLAPFNS-UHFFFAOYSA-N -1 0 340.173 3.669 20 0 EHADRM COC(=O)[C@H](C)Cc1ccc(N[C@@H](C)CC(C)(C)CC(=O)[O-])cc1 ZINC001598689147 995037349 /nfs/dbraw/zinc/03/73/49/995037349.db2.gz VDJMGNNJBWJZBT-KGLIPLIRSA-N -1 0 335.444 3.730 20 0 EHADRM C[C@H](Nc1cccc(OC[C@H]2CCCO2)c1)c1cncc(C(=O)[O-])c1 ZINC001593365564 995040607 /nfs/dbraw/zinc/04/06/07/995040607.db2.gz BHRBXUADYIMXCR-SCLBCKFNSA-N -1 0 342.395 3.511 20 0 EHADRM C[C@H](Nc1cnn(-c2ccccc2Cl)c1)c1cc(C(=O)[O-])co1 ZINC001593367647 995058518 /nfs/dbraw/zinc/05/85/18/995058518.db2.gz PVMNVBNQOSZMQN-JTQLQIEISA-N -1 0 331.759 3.990 20 0 EHADRM C[C@H](Nc1ccccc1COCc1ccccc1)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001593367709 995059364 /nfs/dbraw/zinc/05/93/64/995059364.db2.gz QPIGUHSEUVNRKO-WBAXXEDZSA-N -1 0 325.408 3.925 20 0 EHADRM C[C@@H](Nc1ncnc2ccc(F)cc21)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593373242 995064397 /nfs/dbraw/zinc/06/43/97/995064397.db2.gz AEXYPHXLMGSPHD-IUODEOHRSA-N -1 0 339.370 3.513 20 0 EHADRM C[C@@H](Nc1ncnc2ccc(F)cc21)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593373240 995064529 /nfs/dbraw/zinc/06/45/29/995064529.db2.gz AEXYPHXLMGSPHD-DOMZBBRYSA-N -1 0 339.370 3.513 20 0 EHADRM C[C@@H](Nc1nccc(C(=O)[O-])n1)[C@@H](C)c1ccccc1C(F)(F)F ZINC001593373457 995067406 /nfs/dbraw/zinc/06/74/06/995067406.db2.gz FFPZDROHOYGZOW-NXEZZACHSA-N -1 0 339.317 3.798 20 0 EHADRM C[C@H](OC(=O)C1(c2cccc(F)c2)CCC1)c1cc(C(=O)[O-])co1 ZINC001593496252 995474112 /nfs/dbraw/zinc/47/41/12/995474112.db2.gz JAMGJDXAGNMXPA-NSHDSACASA-N -1 0 332.327 3.843 20 0 EHADRM C[C@H](OC(=O)C[C@H]1CCc2ccccc2C1)c1cc(C(=O)[O-])co1 ZINC001593516701 995549335 /nfs/dbraw/zinc/54/93/35/995549335.db2.gz VOECBZJUVVBUKX-STQMWFEESA-N -1 0 328.364 3.777 20 0 EHADRM C[C@H](OC(=O)[C@@H]1CSC[C@H]1c1ccccc1)c1ccc(C(=O)[O-])o1 ZINC001593546868 995620785 /nfs/dbraw/zinc/62/07/85/995620785.db2.gz HVHJBMSCKJFTAD-FPMFFAJLSA-N -1 0 346.404 3.729 20 0 EHADRM C[C@H](OC(=O)c1ccc(C(=O)[O-])o1)[C@H](C)c1nc2ccccc2s1 ZINC001593574735 995679635 /nfs/dbraw/zinc/67/96/35/995679635.db2.gz LBQYXKLJBVFNHJ-UWVGGRQHSA-N -1 0 345.376 3.937 20 0 EHADRM C[C@H](OC(=O)c1cscc1C(F)(F)F)c1cc(C(=O)[O-])co1 ZINC001593600969 995753722 /nfs/dbraw/zinc/75/37/22/995753722.db2.gz BWRVJEGCHSOETG-LURJTMIESA-N -1 0 334.271 3.976 20 0 EHADRM C[C@H](OC1CCCCC1)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001593602755 995764837 /nfs/dbraw/zinc/76/48/37/995764837.db2.gz JZIXLJAXHIIWHN-JTQLQIEISA-N -1 0 325.792 3.715 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)Nc1c(F)ccc(F)c1C(=O)[O-] ZINC001593603377 995769274 /nfs/dbraw/zinc/76/92/74/995769274.db2.gz UAWSIRGVIJHIDZ-JTQLQIEISA-N -1 0 341.354 3.729 20 0 EHADRM C[C@@H](OCc1ccccc1)C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1 ZINC001593610992 995805092 /nfs/dbraw/zinc/80/50/92/995805092.db2.gz MBEZDUGVUKZAME-LLVKDONJSA-N -1 0 334.755 3.549 20 0 EHADRM CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)Oc1ccc(C(=O)[O-])cc1 ZINC001593611423 995807570 /nfs/dbraw/zinc/80/75/70/995807570.db2.gz AVZCRXIHFHHGTE-OAHLLOKOSA-N -1 0 341.407 3.589 20 0 EHADRM C[C@H](Oc1cccc(Cl)c1)c1nnc(-c2cccc(C(=O)[O-])n2)o1 ZINC001593639663 995942697 /nfs/dbraw/zinc/94/26/97/995942697.db2.gz QIOIYUBHACHULN-VIFPVBQESA-N -1 0 345.742 3.623 20 0 EHADRM C[C@@H](Oc1ccccc1CN1Cc2cccc(Cl)c2C1)C(=O)[O-] ZINC001593645079 995970275 /nfs/dbraw/zinc/97/02/75/995970275.db2.gz GBSNROCRUBONKJ-GFCCVEGCSA-N -1 0 331.799 3.708 20 0 EHADRM C[C@@H](Oc1ccccc1NCc1ccc(C(=O)[O-])[nH]1)C(F)(F)F ZINC001593650843 996008681 /nfs/dbraw/zinc/00/86/81/996008681.db2.gz CQSHBVHGSZKLMB-SECBINFHSA-N -1 0 328.290 3.655 20 0 EHADRM C[C@@H](S[C@@H](C)c1nc(C(=O)[O-])co1)c1nc(-c2ccccc2)no1 ZINC001593658512 996032662 /nfs/dbraw/zinc/03/26/62/996032662.db2.gz ICXAAWFISXLMRS-VHSXEESVSA-N -1 0 345.380 3.978 20 0 EHADRM C[C@H](SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC001593659692 996035847 /nfs/dbraw/zinc/03/58/47/996035847.db2.gz WDNHARBPPJOTTB-LURJTMIESA-N -1 0 341.738 3.504 20 0 EHADRM C[C@H](SCc1ccccc1C(=O)[O-])C(=O)N(C)C1CCCCC1 ZINC001593663417 996044860 /nfs/dbraw/zinc/04/48/60/996044860.db2.gz MYSGZVGEZZMSID-ZDUSSCGKSA-N -1 0 335.469 3.798 20 0 EHADRM C[C@@H](SCc1ccccc1C(=O)[O-])C(=O)N(C)Cc1ccccc1 ZINC001593663810 996046572 /nfs/dbraw/zinc/04/65/72/996046572.db2.gz SPLUJCWNEVNZHM-CQSZACIVSA-N -1 0 343.448 3.665 20 0 EHADRM C[C@H](SCc1ccccc1C(=O)[O-])c1cn(-c2ccccc2)nn1 ZINC001593664194 996049639 /nfs/dbraw/zinc/04/96/39/996049639.db2.gz ZIKWEZBPUZMUIH-ZDUSSCGKSA-N -1 0 339.420 3.960 20 0 EHADRM C[C@H](Sc1ncncc1C(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC001593678392 996091860 /nfs/dbraw/zinc/09/18/60/996091860.db2.gz MHLJHMVQZFJEDE-QMMMGPOBSA-N -1 0 344.314 3.927 20 0 EHADRM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccccc1CCC(=O)[O-] ZINC001593693926 996147144 /nfs/dbraw/zinc/14/71/44/996147144.db2.gz SEILHFVKPNWBGD-GFCCVEGCSA-N -1 0 347.361 3.815 20 0 EHADRM C[C@H](c1cccc(Cl)c1F)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001593699766 996172513 /nfs/dbraw/zinc/17/25/13/996172513.db2.gz YCBQFLCAJSDQSJ-OQPBUACISA-N -1 0 339.716 3.879 20 0 EHADRM C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1cccc(C(=O)[O-])c1 ZINC001593707748 996202734 /nfs/dbraw/zinc/20/27/34/996202734.db2.gz ZDFPZTIDFWQLTL-KXBFYZLASA-N -1 0 337.419 3.722 20 0 EHADRM Cc1c2cccc(Cl)c2oc1C(=O)N=c1[n-]nc(C(F)F)s1 ZINC000336880118 1016016212 /nfs/dbraw/zinc/01/62/12/1016016212.db2.gz BQQCEIKVHBYVON-UHFFFAOYSA-N -1 0 343.742 3.858 20 0 EHADRM C[C@H](c1ccccc1F)[C@H](OC(=O)c1csc(C2CC2)n1)C(=O)[O-] ZINC001593718021 996238024 /nfs/dbraw/zinc/23/80/24/996238024.db2.gz XHTOULHCOGHGSV-OTYXRUKQSA-N -1 0 349.383 3.573 20 0 EHADRM C[C@@H](c1nc(C(=O)[O-])co1)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC001593729963 996292881 /nfs/dbraw/zinc/29/28/81/996292881.db2.gz MAIRBOCCMLJLKF-QMMMGPOBSA-N -1 0 341.194 3.799 20 0 EHADRM C[C@@H](c1ncc(C(=O)[O-])s1)N1CC(Cc2ccccc2Cl)C1 ZINC001593730864 996297536 /nfs/dbraw/zinc/29/75/36/996297536.db2.gz AGTKUAAIALZVOP-JTQLQIEISA-N -1 0 336.844 3.730 20 0 EHADRM C[C@H](c1ncc(C(=O)[O-])s1)N1CCC[C@@](F)(c2ccccc2)C1 ZINC001593732087 996308065 /nfs/dbraw/zinc/30/80/65/996308065.db2.gz NOJFFLBTEQRGGS-PXAZEXFGSA-N -1 0 334.416 3.863 20 0 EHADRM O=C([O-])CCN(CC1CC1)C(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000683304630 1016027285 /nfs/dbraw/zinc/02/72/85/1016027285.db2.gz PKLODRQITSBLIA-UHFFFAOYSA-N -1 0 336.391 3.648 20 0 EHADRM C[C@]1(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CCOc2ccccc21 ZINC001593760399 996418778 /nfs/dbraw/zinc/41/87/78/996418778.db2.gz VABSHGAEEHPDQT-SFHVURJKSA-N -1 0 345.782 3.717 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)CCCCc2ccc(Cl)cc2)C1 ZINC001593766785 996448174 /nfs/dbraw/zinc/44/81/74/996448174.db2.gz WQYUBBDVYIYFNI-GOSISDBHSA-N -1 0 337.847 3.766 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)NC2CCC(c3ccccc3)CC2)C1 ZINC001593768072 996452779 /nfs/dbraw/zinc/45/27/79/996452779.db2.gz KSMQJWQZGIXDEJ-LBXVMSDZSA-N -1 0 344.455 3.609 20 0 EHADRM CC(C)(C)c1ccc2[nH]c(C(=O)N3CCC[C@@](C)(C(=O)[O-])C3)cc2c1 ZINC001593772565 996468180 /nfs/dbraw/zinc/46/81/80/996468180.db2.gz FVWDQCULJFMFBQ-HXUWFJFHSA-N -1 0 342.439 3.792 20 0 EHADRM CC[C@H](C)[C@H](C)N(C(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C1CC1 ZINC000180756276 1016038610 /nfs/dbraw/zinc/03/86/10/1016038610.db2.gz GPBZDLDMDBDGSU-STQMWFEESA-N -1 0 345.418 3.756 20 0 EHADRM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001593825973 996570794 /nfs/dbraw/zinc/57/07/94/996570794.db2.gz OYMMNYJMSIKBAY-MRVPVSSYSA-N -1 0 336.335 3.641 20 0 EHADRM CC1(C)C[C@@H](C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c2ccccc2O1 ZINC001593848329 996619559 /nfs/dbraw/zinc/61/95/59/996619559.db2.gz PABICJTWLNIGOU-CQSZACIVSA-N -1 0 343.354 3.807 20 0 EHADRM CC1(C)CC(CNC(=O)N2CCC[C@@](C)(C(=O)[O-])C2)CC(C)(C)C1 ZINC001593853118 996629647 /nfs/dbraw/zinc/62/96/47/996629647.db2.gz HVPOAEZROUOACI-LJQANCHMSA-N -1 0 338.492 3.735 20 0 EHADRM CC1(C)CC(CNC(=O)Nc2cccc(CSCC(=O)[O-])c2)C1 ZINC001593854348 996635949 /nfs/dbraw/zinc/63/59/49/996635949.db2.gz UNCVJGSKRDXTLD-UHFFFAOYSA-N -1 0 336.457 3.562 20 0 EHADRM CC1(C)C[C@@H](NC(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CCO1 ZINC001593858899 996647780 /nfs/dbraw/zinc/64/77/80/996647780.db2.gz IKFGAOSIBDUIBB-LBPRGKRZSA-N -1 0 348.424 3.679 20 0 EHADRM CC1(C)C[C@H](OC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c2ccccc2O1 ZINC001593861599 996655183 /nfs/dbraw/zinc/65/51/83/996655183.db2.gz BWGSLMKTOVEPPY-XEZPLFJOSA-N -1 0 332.396 3.723 20 0 EHADRM CC1(C)C[C@@H](OC(=O)/C=C\c2ccc(C(=O)[O-])o2)c2ccccc2O1 ZINC001593862193 996659810 /nfs/dbraw/zinc/65/98/10/996659810.db2.gz WSCKJDLGYSFEHM-SIJIIQCFSA-N -1 0 342.347 3.837 20 0 EHADRM CC1(C)C[C@@]1(C(=O)N[C@H](CC1CCCCC1)C(=O)[O-])c1ccccc1 ZINC001593864529 996666826 /nfs/dbraw/zinc/66/68/26/996666826.db2.gz WQWOKUUPGXJSKF-UTKZUKDTSA-N -1 0 343.467 3.894 20 0 EHADRM CC1(C)CC[C@H](C(=O)NCCSCC(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001593875129 996693532 /nfs/dbraw/zinc/69/35/32/996693532.db2.gz YGENDIULDKCBEG-JKSUJKDBSA-N -1 0 349.496 3.531 20 0 EHADRM CC1(C)CCC[C@](NC(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)(C(=O)[O-])C1 ZINC001593892554 996741847 /nfs/dbraw/zinc/74/18/47/996741847.db2.gz UFJMIAIAJVXLSB-RZQQEMMASA-N -1 0 347.430 3.859 20 0 EHADRM CC1(C)CCC[C@@](NC(=O)c2cc3ccccc3cc2O)(C(=O)[O-])C1 ZINC001593892836 996743842 /nfs/dbraw/zinc/74/38/42/996743842.db2.gz SZXIHBPZDAVQRL-FQEVSTJZSA-N -1 0 341.407 3.699 20 0 EHADRM CC1(C)CCC[C@H]1[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC001593897001 996756416 /nfs/dbraw/zinc/75/64/16/996756416.db2.gz HOXKYULMVUZBEL-HIFRSBDPSA-N -1 0 333.403 3.812 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)NCC[C@H]2CCCC2(C)C)C1 ZINC001593903406 996773561 /nfs/dbraw/zinc/77/35/61/996773561.db2.gz SNLHVJGEKURJEM-CABCVRRESA-N -1 0 338.492 3.735 20 0 EHADRM CC1(C)CCCC[C@H]1C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001593905090 996785924 /nfs/dbraw/zinc/78/59/24/996785924.db2.gz OUUHLUCELPBLKQ-ZACQAIPSSA-N -1 0 329.440 3.530 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000328340349 1016064930 /nfs/dbraw/zinc/06/49/30/1016064930.db2.gz VXASCLOKFULJIB-UHFFFAOYSA-N -1 0 341.407 3.872 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCc1cc(-c2ccc(F)cc2)no1 ZINC001599379347 996806214 /nfs/dbraw/zinc/80/62/14/996806214.db2.gz DLATVSXYPGTYLT-UHFFFAOYSA-N -1 0 343.310 3.767 20 0 EHADRM CC1(C)CCc2ccccc2[C@@H](NC(=O)c2cccc(C(=O)[O-])n2)C1 ZINC001593915712 996813282 /nfs/dbraw/zinc/81/32/82/996813282.db2.gz CYYCEJJPDXXZHX-KRWDZBQOSA-N -1 0 338.407 3.613 20 0 EHADRM CC1(C)CCc2cccc(NC(=O)/C=C\c3cc(C(=O)[O-])co3)c2O1 ZINC001593916358 996817827 /nfs/dbraw/zinc/81/78/27/996817827.db2.gz OOXBCIXKCDESMA-SREVYHEPSA-N -1 0 341.363 3.733 20 0 EHADRM CC1(C)CCc2cccc(NC(=O)NCC3(C(=O)[O-])CCCC3)c2O1 ZINC001593916448 996818889 /nfs/dbraw/zinc/81/88/89/996818889.db2.gz RUPFHWNDVAURPT-UHFFFAOYSA-N -1 0 346.427 3.557 20 0 EHADRM COc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)c(OCC(C)C)c1 ZINC001599486384 996856011 /nfs/dbraw/zinc/85/60/11/996856011.db2.gz MWVNFQHIMSKPGW-UHFFFAOYSA-N -1 0 343.379 3.681 20 0 EHADRM CC1(C)CN(C(=O)CC2(CC(=O)[O-])CCCC2)Cc2ccccc2O1 ZINC001593928756 996878522 /nfs/dbraw/zinc/87/85/22/996878522.db2.gz PUECUVKYAONOHG-UHFFFAOYSA-N -1 0 345.439 3.611 20 0 EHADRM COC[C@H](Nc1ncc(C(=O)[O-])cc1Cl)c1cccc(Cl)c1 ZINC001599177563 996878732 /nfs/dbraw/zinc/87/87/32/996878732.db2.gz CIKJGKHLDOKRHC-ZDUSSCGKSA-N -1 0 341.194 3.886 20 0 EHADRM CC1(C)CN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)c2cccc(Cl)c21 ZINC001593928797 996879691 /nfs/dbraw/zinc/87/96/91/996879691.db2.gz TYTKSJARAODNMC-UHFFFAOYSA-N -1 0 347.842 3.999 20 0 EHADRM COC[C@H](NCc1cc(C(=O)[O-])ccc1Cl)c1ccc(F)cc1 ZINC001599177601 996880081 /nfs/dbraw/zinc/88/00/81/996880081.db2.gz QSWVGGJVGGOUDK-INIZCTEOSA-N -1 0 337.778 3.655 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccc(CC(=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC001593933936 996894523 /nfs/dbraw/zinc/89/45/23/996894523.db2.gz DEMDIISUXZAWMI-GOSISDBHSA-N -1 0 338.407 3.929 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)Cc2coc3ccc(C)cc23)c1 ZINC001599490419 996928272 /nfs/dbraw/zinc/92/82/72/996928272.db2.gz UWCQYKAOQAGFLN-UHFFFAOYSA-N -1 0 339.347 3.629 20 0 EHADRM CC1(C)CN([C@@H](C(=O)[O-])c2cccc(Cl)c2)[C@H]1c1ccncc1 ZINC001593940110 996944611 /nfs/dbraw/zinc/94/46/11/996944611.db2.gz FEEUSJNLZGANSR-CVEARBPZSA-N -1 0 330.815 3.944 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)c2sc(C(C)C)nc2C)c1 ZINC001599492206 996959044 /nfs/dbraw/zinc/95/90/44/996959044.db2.gz JFGQGNHXIVNIFW-UHFFFAOYSA-N -1 0 335.381 3.501 20 0 EHADRM COCc1cc(NC(=O)N[C@H](C)CCCC(C)C)cc(C(=O)[O-])c1 ZINC001599286853 996993319 /nfs/dbraw/zinc/99/33/19/996993319.db2.gz XHPGYSZUFXAYCS-CYBMUJFWSA-N -1 0 336.432 3.868 20 0 EHADRM COCc1cc(NC(=O)N[C@@H]2CCC[C@@H]2C(C)(C)C)cc(C(=O)[O-])c1 ZINC001599287421 997003630 /nfs/dbraw/zinc/00/36/30/997003630.db2.gz MZMZRMNTWKAXIS-JKSUJKDBSA-N -1 0 348.443 3.868 20 0 EHADRM COc1cc(C)c(C)cc1NC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001599390848 997032819 /nfs/dbraw/zinc/03/28/19/997032819.db2.gz RJEZWYCFHIWEQS-QRWLVFNGSA-N -1 0 339.391 3.509 20 0 EHADRM COCc1cc(N[C@H]2Cc3ccc(Cl)cc3C2)cc(C(=O)[O-])c1 ZINC001599289531 997039930 /nfs/dbraw/zinc/03/99/30/997039930.db2.gz HIEDRBIFSUWNHV-KRWDZBQOSA-N -1 0 331.799 3.764 20 0 EHADRM CC1(C)CO[C@H](CCC(=O)Nc2cc(F)cc(Cl)c2C(=O)[O-])C1 ZINC001593954186 997041411 /nfs/dbraw/zinc/04/14/11/997041411.db2.gz HHVGNPZGIIWKFO-SNVBAGLBSA-N -1 0 343.782 3.711 20 0 EHADRM COCC1(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CCCC1 ZINC001599187377 997052533 /nfs/dbraw/zinc/05/25/33/997052533.db2.gz XRTFZROZELQHHF-UHFFFAOYSA-N -1 0 327.380 3.683 20 0 EHADRM COc1ccc(C(=O)[O-])cc1COc1c(C=O)ccc2ccccc21 ZINC001599500317 997106130 /nfs/dbraw/zinc/10/61/30/997106130.db2.gz WTHJPZXMKHIJLZ-UHFFFAOYSA-N -1 0 336.343 3.938 20 0 EHADRM COC1(CC(=O)O[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CCC1 ZINC001599087682 997128676 /nfs/dbraw/zinc/12/86/76/997128676.db2.gz VGSRYCDOALCCDA-CYBMUJFWSA-N -1 0 347.194 3.622 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2cnc(-c3ccsc3)s2)c1 ZINC000191349346 1032138886 /nfs/dbraw/zinc/13/88/86/1032138886.db2.gz GGICWQQZHVMAOF-UHFFFAOYSA-N -1 0 336.419 3.884 20 0 EHADRM CO[C@]1(C)CCCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC001599088401 997144021 /nfs/dbraw/zinc/14/40/21/997144021.db2.gz UNNAQVLCSINFQE-UKRRQHHQSA-N -1 0 332.227 3.620 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1ccnc2ccccc21 ZINC001599397362 997152559 /nfs/dbraw/zinc/15/25/59/997152559.db2.gz DPLABVXWDGJAEU-VQHVLOKHSA-N -1 0 349.342 3.560 20 0 EHADRM COCc1ccccc1/C=C(/C)COC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001599297601 997173356 /nfs/dbraw/zinc/17/33/56/997173356.db2.gz KXBILAWKYNLMDJ-UVJDWROISA-N -1 0 346.423 3.671 20 0 EHADRM COC1(CNC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)CCC(C)CC1 ZINC001599090426 997182212 /nfs/dbraw/zinc/18/22/12/997182212.db2.gz YKHRBTYVZQBCEC-SHYRYGCCSA-N -1 0 348.443 3.592 20 0 EHADRM COCc1csc(C(=O)Nc2cc(F)cc(Cl)c2C(=O)[O-])c1 ZINC001599299654 997208508 /nfs/dbraw/zinc/20/85/08/997208508.db2.gz BHHLDIHJNCUIGZ-UHFFFAOYSA-N -1 0 343.763 3.638 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1ccc(C)cc1C ZINC001599400771 997210176 /nfs/dbraw/zinc/21/01/76/997210176.db2.gz UZABBVFGYDHGSR-TWGQIWQCSA-N -1 0 326.348 3.629 20 0 EHADRM COCc1csc(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)c1 ZINC001599300006 997215089 /nfs/dbraw/zinc/21/50/89/997215089.db2.gz MWLCQSBPCMTRPM-UHFFFAOYSA-N -1 0 341.388 3.998 20 0 EHADRM COC1(c2noc(-c3cc(C(=O)[O-])ccc3Cl)n2)CCCCC1 ZINC001599093875 997242974 /nfs/dbraw/zinc/24/29/74/997242974.db2.gz XEJRRYLPIYRHRV-UHFFFAOYSA-N -1 0 336.775 3.894 20 0 EHADRM COC1CCC(C(=O)O[C@H]2CCCc3cc(C(=O)[O-])ccc32)CC1 ZINC001599099735 997360492 /nfs/dbraw/zinc/36/04/92/997360492.db2.gz USPZHSMSVJWNKQ-QOJXUVEWSA-N -1 0 332.396 3.511 20 0 EHADRM CON(C(=O)c1ccc(C)c(C(=O)[O-])c1)[C@H](C)c1ccccc1C ZINC001599311676 997426772 /nfs/dbraw/zinc/42/67/72/997426772.db2.gz NRXGOTILQWJKBD-CQSZACIVSA-N -1 0 327.380 3.766 20 0 EHADRM CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001599317546 997526374 /nfs/dbraw/zinc/52/63/74/997526374.db2.gz OTOBGLISUDRQAS-VXGBXAGGSA-N -1 0 338.379 3.746 20 0 EHADRM CON(C[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC001599317947 997531685 /nfs/dbraw/zinc/53/16/85/997531685.db2.gz WVELSUBGRMKVKP-OCCSQVGLSA-N -1 0 334.416 3.915 20 0 EHADRM COc1cc(Cl)c(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1Cl ZINC001599418245 997547213 /nfs/dbraw/zinc/54/72/13/997547213.db2.gz BCXFSWFCUOEMHA-LLVKDONJSA-N -1 0 344.238 3.689 20 0 EHADRM COc1cc(Cl)c(C)cc1NC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001599418868 997558451 /nfs/dbraw/zinc/55/84/51/997558451.db2.gz VMZYMYPTTHYODC-ONEGZZNKSA-N -1 0 335.743 3.600 20 0 EHADRM COc1cc(Cl)c(F)cc1NC(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001599419875 997575367 /nfs/dbraw/zinc/57/53/67/997575367.db2.gz RVHIEOZNTXRGEI-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM COc1cc(Cl)ccc1C(=O)Nc1c(F)ccc(F)c1C(=O)[O-] ZINC001599421031 997595363 /nfs/dbraw/zinc/59/53/63/997595363.db2.gz XUXMPCANYIFOLV-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM COc1cc(Cl)ccc1[C@@H](C)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001599421477 997602221 /nfs/dbraw/zinc/60/22/21/997602221.db2.gz SZMDRMCQVIJQQR-BDAKNGLRSA-N -1 0 340.832 3.915 20 0 EHADRM CO[C@@H]1CCCC[C@H]1NC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001599323065 997615304 /nfs/dbraw/zinc/61/53/04/997615304.db2.gz VXNZJNMLQMVGBU-IAGOWNOFSA-N -1 0 342.395 3.617 20 0 EHADRM C[C@@]1(Cc2ccc(Cl)c(F)c2)CCCN1c1ncc(C(=O)[O-])cn1 ZINC001594039547 997649096 /nfs/dbraw/zinc/64/90/96/997649096.db2.gz QLLRVVGXLMLLRK-KRWDZBQOSA-N -1 0 349.793 3.569 20 0 EHADRM COC(=O)c1cc(CN(C)c2ccccc2C(C)C)cc(C(=O)[O-])c1 ZINC001598929864 997728264 /nfs/dbraw/zinc/72/82/64/997728264.db2.gz TYVSNTKCPRHFTL-UHFFFAOYSA-N -1 0 341.407 3.931 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)[C@H](C)c1cccc(F)c1 ZINC001599541418 997849220 /nfs/dbraw/zinc/84/92/20/997849220.db2.gz FNZSUQQVIMAIMH-ZVTBTPLYSA-N -1 0 344.338 3.641 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)[C@@H](C)c1cccc(F)c1 ZINC001599541414 997849632 /nfs/dbraw/zinc/84/96/32/997849632.db2.gz FNZSUQQVIMAIMH-UPZNUWHASA-N -1 0 344.338 3.641 20 0 EHADRM COc1c(NC(=O)CCCc2cc(F)ccc2F)cccc1C(=O)[O-] ZINC001599337330 997860671 /nfs/dbraw/zinc/86/06/71/997860671.db2.gz JXFRJQLNFKSFDN-UHFFFAOYSA-N -1 0 349.333 3.633 20 0 EHADRM COc1ccc(/C=C/C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)cc1 ZINC001599544888 997906421 /nfs/dbraw/zinc/90/64/21/997906421.db2.gz VHTREYFJTFFCOR-QPJJXVBHSA-N -1 0 349.745 3.838 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)[C@@H](C)c1ccsc1 ZINC001599545279 997912164 /nfs/dbraw/zinc/91/21/64/997912164.db2.gz XIEKFWKCFDRDAJ-QZPNVGJNSA-N -1 0 332.377 3.564 20 0 EHADRM COc1cc(NC(=O)Nc2cccc(C(=O)[O-])c2C)c(C)cc1C ZINC001599440913 997928191 /nfs/dbraw/zinc/92/81/91/997928191.db2.gz JKNNRHGZPLVXCI-UHFFFAOYSA-N -1 0 328.368 3.963 20 0 EHADRM COc1cc(N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@H]23)ccc1C(F)(F)F ZINC001599442326 997949356 /nfs/dbraw/zinc/94/93/56/997949356.db2.gz AMBUUHXJHTZSPU-IZWKTGJZSA-N -1 0 329.318 3.625 20 0 EHADRM COCCN(CCCc1ccccc1)c1ncc(C(=O)[O-])cc1Cl ZINC001599236538 997955811 /nfs/dbraw/zinc/95/58/11/997955811.db2.gz JVAAFNKHMDQUSI-UHFFFAOYSA-N -1 0 348.830 3.519 20 0 EHADRM CC1(c2ccccc2C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)CC1 ZINC001594079211 997962715 /nfs/dbraw/zinc/96/27/15/997962715.db2.gz PXIRRZDFIWLNML-UHFFFAOYSA-N -1 0 335.403 3.635 20 0 EHADRM COc1cc(NCc2ncc(-c3cccs3)o2)ccc1C(=O)[O-] ZINC001599444030 997978282 /nfs/dbraw/zinc/97/82/82/997978282.db2.gz SIXJUGUNYUPYFK-UHFFFAOYSA-N -1 0 330.365 3.722 20 0 EHADRM CC1(c2ccccc2C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC001594081863 997986114 /nfs/dbraw/zinc/98/61/14/997986114.db2.gz UPEDVMJUMBQTNL-UHFFFAOYSA-N -1 0 331.318 3.967 20 0 EHADRM COc1ccc(C[C@H](C)C(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001599550184 997992252 /nfs/dbraw/zinc/99/22/52/997992252.db2.gz JWBOGQWOKWQJTH-NSHDSACASA-N -1 0 348.782 3.831 20 0 EHADRM COc1cc(OC(=O)CC(C)(C)CC(F)(F)F)ccc1C(=O)[O-] ZINC001599445159 997997068 /nfs/dbraw/zinc/99/70/68/997997068.db2.gz COEAKDTZEFUSTH-UHFFFAOYSA-N -1 0 334.290 3.668 20 0 EHADRM COc1cc(OC(=O)CC[C@H]2CCc3ccccc32)ccc1C(=O)[O-] ZINC001599445710 998006660 /nfs/dbraw/zinc/00/66/60/998006660.db2.gz LNYDRNWCQKLRQD-CQSZACIVSA-N -1 0 340.375 3.809 20 0 EHADRM COc1ccc(C[C@@H](C)C(=O)Nc2sc(C)c(C)c2C(=O)[O-])cc1 ZINC001599551401 998013650 /nfs/dbraw/zinc/01/36/50/998013650.db2.gz ZOXZOUNNSVQULN-SNVBAGLBSA-N -1 0 347.436 3.889 20 0 EHADRM COc1cc(OC(=O)[C@@H](Cc2ccccc2)C(C)C)ccc1C(=O)[O-] ZINC001599446505 998018047 /nfs/dbraw/zinc/01/80/47/998018047.db2.gz XEUZVXIUBIXDMO-KRWDZBQOSA-N -1 0 342.391 3.814 20 0 EHADRM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CC=C(C(C)(C)C)CC2)c1 ZINC001599450817 998095457 /nfs/dbraw/zinc/09/54/57/998095457.db2.gz KXBKBLRTUGTEFU-KRWDZBQOSA-N -1 0 333.428 3.508 20 0 EHADRM Cc1nc(CNC(=O)CCC(C)(C)c2ccccc2)sc1C(=O)[O-] ZINC000683324330 1016185009 /nfs/dbraw/zinc/18/50/09/1016185009.db2.gz LCPAVZGBVLZZKK-UHFFFAOYSA-N -1 0 346.452 3.524 20 0 EHADRM COc1ccc(CN(C)C(=O)Nc2cccc(C(=O)[O-])c2)cc1Cl ZINC001599557819 998125389 /nfs/dbraw/zinc/12/53/89/998125389.db2.gz WYGYLATWQXJNPJ-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM COc1cc(OC)cc([C@H](Nc2ccc(C3CC3)cc2)C(=O)[O-])c1 ZINC001599452978 998137357 /nfs/dbraw/zinc/13/73/57/998137357.db2.gz JDSULXHZISPRSV-SFHVURJKSA-N -1 0 327.380 3.819 20 0 EHADRM COc1ccc(CNC(=O)C[C@H](C)CCC=C(C)C)cc1C(=O)[O-] ZINC001599565682 998281535 /nfs/dbraw/zinc/28/15/35/998281535.db2.gz VFMGVZMPMJVHAG-CQSZACIVSA-N -1 0 333.428 3.782 20 0 EHADRM COc1cc(C(=O)[O-])cc(N[C@@H]2CS[C@@H](C(C)(C)C)C2)c1OC ZINC001599362562 998283568 /nfs/dbraw/zinc/28/35/68/998283568.db2.gz WWIPZLCYZJWONZ-SMDDNHRTSA-N -1 0 339.457 3.734 20 0 EHADRM COc1cc(C(=O)[O-])cc(NCc2ccc3scnc3c2)c1OC ZINC001599362780 998287007 /nfs/dbraw/zinc/28/70/07/998287007.db2.gz VTEBINGAJSTDEY-UHFFFAOYSA-N -1 0 344.392 3.624 20 0 EHADRM COCCOc1ccc(-c2nc(CCCC(=O)[O-])c(C)s2)cc1 ZINC001599257312 998326127 /nfs/dbraw/zinc/32/61/27/998326127.db2.gz FEDLPAIUBGTXFA-UHFFFAOYSA-N -1 0 335.425 3.551 20 0 EHADRM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)CCCCC(C)(C)C)c1 ZINC001598961493 998340056 /nfs/dbraw/zinc/34/00/56/998340056.db2.gz OBSAJOOIOUFSPW-UHFFFAOYSA-N -1 0 335.400 3.716 20 0 EHADRM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)c2ccc3ccccc3c2)c1 ZINC001598963247 998370836 /nfs/dbraw/zinc/37/08/36/998370836.db2.gz UHROGYCSKMRVQQ-UHFFFAOYSA-N -1 0 349.342 3.577 20 0 EHADRM C[C@@H]1[C@H](C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)[C@H]1c1ccccc1 ZINC001594137100 998386134 /nfs/dbraw/zinc/38/61/34/998386134.db2.gz VMTIBYXQACXVEG-GJQMJKEGSA-N -1 0 335.403 3.863 20 0 EHADRM COCCOc1cccc(/C=C/c2nc(Cl)c(C(=O)[O-])s2)c1 ZINC001599261129 998387418 /nfs/dbraw/zinc/38/74/18/998387418.db2.gz XBZXDZVDAWTVFG-AATRIKPKSA-N -1 0 339.800 3.690 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC001599369822 998392852 /nfs/dbraw/zinc/39/28/52/998392852.db2.gz CMGYZZLCFGGLQY-TYNCELHUSA-N -1 0 332.400 3.578 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC001599371466 998416484 /nfs/dbraw/zinc/41/64/84/998416484.db2.gz QVRHJMCSVWLMSV-JTQLQIEISA-N -1 0 333.771 3.789 20 0 EHADRM COc1ccc(Cl)c(NCc2ccccc2O[C@@H](C)C(=O)[O-])c1 ZINC001599577492 998468648 /nfs/dbraw/zinc/46/86/48/998468648.db2.gz WVZSIRWLMFPKOF-NSHDSACASA-N -1 0 335.787 3.813 20 0 EHADRM COc1ccc(Cl)cc1N[C@@H](C)c1ccccc1OCC(=O)[O-] ZINC001599579284 998499853 /nfs/dbraw/zinc/49/98/53/998499853.db2.gz PLOZNILJFAGZDB-NSHDSACASA-N -1 0 335.787 3.985 20 0 EHADRM CC(C)Oc1ccc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1 ZINC000683330952 1016224838 /nfs/dbraw/zinc/22/48/38/1016224838.db2.gz ILFJRUUUPFUNOP-AWEZNQCLSA-N -1 0 341.407 3.989 20 0 EHADRM COc1ccc(F)cc1-c1cncc(CSC[C@@H](C)C(=O)[O-])c1 ZINC001599582058 998548685 /nfs/dbraw/zinc/54/86/85/998548685.db2.gz FUCQJAFFMMRAIJ-LLVKDONJSA-N -1 0 335.400 3.850 20 0 EHADRM COc1ccc(F)cc1C(=O)N1CCCCc2cc(C(=O)[O-])ccc21 ZINC001599582169 998549419 /nfs/dbraw/zinc/54/94/19/998549419.db2.gz LQHFPCWCQLTAEH-UHFFFAOYSA-N -1 0 343.354 3.516 20 0 EHADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(OCC2CCCCC2)cc1 ZINC001594159152 998591461 /nfs/dbraw/zinc/59/14/61/998591461.db2.gz PTBCKOXRQJEAFB-KSSFIOAISA-N -1 0 345.439 3.581 20 0 EHADRM COc1ccc(C(=O)N(Cc2ccccc2)C(C)(C)C(=O)[O-])cc1C ZINC001599480250 998595548 /nfs/dbraw/zinc/59/55/48/998595548.db2.gz RFHLKKRSWLUHDL-UHFFFAOYSA-N -1 0 341.407 3.509 20 0 EHADRM CCCCn1ccnc1-c1cccc(NC(=O)CCCCC(=O)[O-])c1 ZINC000655554895 1016227082 /nfs/dbraw/zinc/22/70/82/1016227082.db2.gz NZAIVHPXLAOBSW-UHFFFAOYSA-N -1 0 343.427 3.934 20 0 EHADRM C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC001594172869 998663798 /nfs/dbraw/zinc/66/37/98/998663798.db2.gz IILVXFSSIOWSGF-LDYMZIIASA-N -1 0 348.296 3.719 20 0 EHADRM C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1ccccc1CCC(=O)[O-] ZINC001594173124 998664913 /nfs/dbraw/zinc/66/49/13/998664913.db2.gz LBBFIBALDRSWPP-RISCZKNCSA-N -1 0 343.345 3.507 20 0 EHADRM C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)Nc1ccsc1C(=O)[O-] ZINC001594173158 998665461 /nfs/dbraw/zinc/66/54/61/998665461.db2.gz LYCDCYBGDWZSTA-HTQZYQBOSA-N -1 0 336.335 3.641 20 0 EHADRM CSCc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000340090959 1016252786 /nfs/dbraw/zinc/25/27/86/1016252786.db2.gz LECOLJGMODKKKM-UHFFFAOYSA-N -1 0 329.393 3.629 20 0 EHADRM C[C@H]1CC(CNC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)C[C@H](C)C1 ZINC001594222802 998858630 /nfs/dbraw/zinc/85/86/30/998858630.db2.gz JGDJBUAHEZIAKR-ZIAGYGMSSA-N -1 0 344.455 3.525 20 0 EHADRM C[C@H]1C[C@H](c2nc(COc3cccc(C(=O)[O-])c3)no2)C[C@@H](C)C1 ZINC001594223705 998862646 /nfs/dbraw/zinc/86/26/46/998862646.db2.gz YZUKWBUAALIGIR-IMRBUKKESA-N -1 0 330.384 3.887 20 0 EHADRM C[C@@H]1C[C@@H](CC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)CC(C)(C)C1 ZINC001594230961 998877154 /nfs/dbraw/zinc/87/71/54/998877154.db2.gz AAKROIZBVJKHRV-IIYDPXPESA-N -1 0 335.419 3.920 20 0 EHADRM CC1CC(CN2Cc3sc(C(=O)[O-])c(Br)c3C2)C1 ZINC001594238857 998908733 /nfs/dbraw/zinc/90/87/33/998908733.db2.gz GHSUOASMVIHVFX-UHFFFAOYSA-N -1 0 330.247 3.571 20 0 EHADRM C[C@@H]1C[C@@H](CNC(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CCO1 ZINC001594239086 998910618 /nfs/dbraw/zinc/91/06/18/998910618.db2.gz LMADICXJDKHVJV-MNOVXSKESA-N -1 0 348.424 3.536 20 0 EHADRM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2cccc(C(=O)[O-])n2)C1 ZINC001594265536 999027991 /nfs/dbraw/zinc/02/79/91/999027991.db2.gz DUDILLUBYIPSNA-NHYWBVRUSA-N -1 0 343.358 3.534 20 0 EHADRM CC1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001594290543 999118761 /nfs/dbraw/zinc/11/87/61/999118761.db2.gz CSKSSXCQLFWIFZ-VGPLMAKISA-N -1 0 327.384 3.661 20 0 EHADRM CO[C@H](CC(C)C)C(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001599045149 999145573 /nfs/dbraw/zinc/14/55/73/999145573.db2.gz LVEUCIIZYHBXIA-OLZOCXBDSA-N -1 0 348.317 3.593 20 0 EHADRM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001594299299 999155225 /nfs/dbraw/zinc/15/52/25/999155225.db2.gz XAHHLFMJKIEYPN-WPRPVWTQSA-N -1 0 349.736 3.841 20 0 EHADRM CC1CCC(C)(NC(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)CC1 ZINC001594300164 999159141 /nfs/dbraw/zinc/15/91/41/999159141.db2.gz NVMCATSHADRYPV-UHFFFAOYSA-N -1 0 339.461 3.596 20 0 EHADRM C[C@@H]1CC[C@H](CC(=O)N[C@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)C1 ZINC001594303225 999173275 /nfs/dbraw/zinc/17/32/75/999173275.db2.gz WSQSETDDWHOMQR-OHNQJVKOSA-N -1 0 329.440 3.806 20 0 EHADRM C[C@@H](C(=O)N[C@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21)c1ccccc1 ZINC001594314432 999216926 /nfs/dbraw/zinc/21/69/26/999216926.db2.gz PPSCZFRJIIIATF-VTJXTGGHSA-N -1 0 337.419 3.784 20 0 EHADRM C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)C1 ZINC001594315722 999223422 /nfs/dbraw/zinc/22/34/22/999223422.db2.gz YUSMTPIWRRZOIY-ZIAGYGMSSA-N -1 0 345.443 3.685 20 0 EHADRM C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)Nc2cc(C(=O)[O-])n(C)c2)C1 ZINC001594329758 999267272 /nfs/dbraw/zinc/26/72/72/999267272.db2.gz DKDKSBWPNOOUPB-CJNGLKHVSA-N -1 0 341.411 3.728 20 0 EHADRM C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)Nc2cc(C(=O)[O-])ccn2)C1 ZINC001594330441 999270365 /nfs/dbraw/zinc/27/03/65/999270365.db2.gz PPXJXCRDRKCKRE-CZUORRHYSA-N -1 0 339.395 3.785 20 0 EHADRM C[C@H]1CC[C@H](c2ccccc2)N(C(=O)Cc2ccccc2C(=O)[O-])C1 ZINC001594330478 999270866 /nfs/dbraw/zinc/27/08/66/999270866.db2.gz RCDFZWGNJITOSU-HNAYVOBHSA-N -1 0 337.419 3.927 20 0 EHADRM C[C@@H]1CCC[C@@H](OCCCCCC(=O)NC2(CC(=O)[O-])CCC2)C1 ZINC001594354408 999338595 /nfs/dbraw/zinc/33/85/95/999338595.db2.gz CFYZFYNLLRFDGU-HZPDHXFCSA-N -1 0 339.476 3.656 20 0 EHADRM C[C@@H]1CCC[C@@H](OCC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)C1 ZINC001594354442 999338916 /nfs/dbraw/zinc/33/89/16/999338916.db2.gz CVVJVEXTFOUHHA-NXEZZACHSA-N -1 0 343.782 3.711 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)Nc1cccc(CO[C@H]2CCC[C@@H](C)C2)c1 ZINC001594356101 999343728 /nfs/dbraw/zinc/34/37/28/999343728.db2.gz QXEHBBXEOXOEJS-CPUCHLNUSA-N -1 0 348.443 3.767 20 0 EHADRM C[C@H]1CCC[C@H]1CC(=O)Oc1ccc(Br)cc1C(=O)[O-] ZINC001594360442 999362748 /nfs/dbraw/zinc/36/27/48/999362748.db2.gz VBDCCWMLZMISQM-UWVGGRQHSA-N -1 0 341.201 3.879 20 0 EHADRM C[C@@H]1CCCC[C@@H]1C(=O)Oc1cc(Br)cc(C(=O)[O-])c1 ZINC001594363528 999372112 /nfs/dbraw/zinc/37/21/12/999372112.db2.gz GLAQFVLDACSLRD-RNCFNFMXSA-N -1 0 341.201 3.879 20 0 EHADRM C[C@@H]1CCCCN1C(=O)CSCc1cccc(C(=O)[O-])c1Cl ZINC001594370055 999393592 /nfs/dbraw/zinc/39/35/92/999393592.db2.gz FTXUBOYYCQILPF-LLVKDONJSA-N -1 0 341.860 3.672 20 0 EHADRM C[C@H]1CCCC[C@@H]1OCC(=O)Oc1cccc(C(C)(C)C(=O)[O-])c1 ZINC001594370783 999397583 /nfs/dbraw/zinc/39/75/83/999397583.db2.gz LSDBTFOCHCGXGA-BBRMVZONSA-N -1 0 334.412 3.550 20 0 EHADRM C[C@H]1CCCCCN1C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001594372531 999407299 /nfs/dbraw/zinc/40/72/99/999407299.db2.gz ZSEHIOWIEWGJHI-LBPRGKRZSA-N -1 0 327.384 3.729 20 0 EHADRM C[C@@H]1CCN(C(=O)C2CCC(c3ccccc3)CC2)[C@@H](C(=O)[O-])C1 ZINC001594395583 999489841 /nfs/dbraw/zinc/48/98/41/999489841.db2.gz BFDPYMZVYZRSHT-AGERRDQYSA-N -1 0 329.440 3.672 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccc(CC(=O)[O-])cc2)[C@H](c2ccco2)C1 ZINC001594405421 999517380 /nfs/dbraw/zinc/51/73/80/999517380.db2.gz LOYHHESFKJLDPF-BBRMVZONSA-N -1 0 342.395 3.912 20 0 EHADRM Cc1ccc2c(Cl)c(C(=O)NC[C@H](C(=O)[O-])C(C)C)sc2c1 ZINC000655568766 1016338559 /nfs/dbraw/zinc/33/85/59/1016338559.db2.gz RNDQZVWJTJSYEE-NSHDSACASA-N -1 0 339.844 3.950 20 0 EHADRM CC1CCN(c2cccc(NC(=O)c3ccsc3C(=O)[O-])c2)CC1 ZINC001594435110 999615053 /nfs/dbraw/zinc/61/50/53/999615053.db2.gz OEABSDYZMNFRCQ-UHFFFAOYSA-N -1 0 344.436 3.935 20 0 EHADRM CC1CCN(c2ccc(F)cc2NC(=O)CCCCC(=O)[O-])CC1 ZINC001594435130 999615464 /nfs/dbraw/zinc/61/54/64/999615464.db2.gz OWZZTKGZPJFBCF-UHFFFAOYSA-N -1 0 336.407 3.646 20 0 EHADRM C[C@@H](NC(=O)c1cccc(-c2ccoc2)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655573803 1016368491 /nfs/dbraw/zinc/36/84/91/1016368491.db2.gz BAHXEYHLFKDKEK-OAUYIBNBSA-N -1 0 341.407 3.812 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)NC[C@H](C(=O)[O-])C(C)C)cc1 ZINC000655573928 1016366508 /nfs/dbraw/zinc/36/65/08/1016366508.db2.gz DGSRYCXWINAJNU-HNNXBMFYSA-N -1 0 331.437 3.810 20 0 EHADRM Cc1csc(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1Cl ZINC000655575283 1016373675 /nfs/dbraw/zinc/37/36/75/1016373675.db2.gz ICIZEAWHQIMHEG-KXUCPTDWSA-N -1 0 329.849 3.575 20 0 EHADRM Cc1[nH]c2c(cccc2C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1C ZINC000655578293 1016409729 /nfs/dbraw/zinc/40/97/29/1016409729.db2.gz PYHNSGHUVIPWRH-VBNZEHGJSA-N -1 0 342.439 3.650 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CC2(CCC2)[C@H]1c1ccco1)CC(=O)[O-] ZINC000659413951 1016671098 /nfs/dbraw/zinc/67/10/98/1016671098.db2.gz CBBPUSSOGIYSAL-WMLDXEAASA-N -1 0 348.443 3.653 20 0 EHADRM O=C(NCc1ccccc1OC1CCCC1)c1ccc(O)cc1F ZINC000181154297 1016910828 /nfs/dbraw/zinc/91/08/28/1016910828.db2.gz AGWQDWWCJSSION-UHFFFAOYSA-N -1 0 329.371 3.783 20 0 EHADRM C[C@@H](NC(=O)CCc1ccccc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655583790 1016972550 /nfs/dbraw/zinc/97/25/50/1016972550.db2.gz QNAAYVVGWKORKV-KWCYVHTRSA-N -1 0 337.847 3.524 20 0 EHADRM CC[C@@H](C)N(C)C(=O)N=c1[n-]nc(-c2ccc(Cl)cc2F)s1 ZINC000471304511 1016974725 /nfs/dbraw/zinc/97/47/25/1016974725.db2.gz BAXDBHYPWPVOGF-MRVPVSSYSA-N -1 0 342.827 3.682 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N2CCCC[C@@H](C)C2)s1 ZINC000471308115 1016996759 /nfs/dbraw/zinc/99/67/59/1016996759.db2.gz QHMRJPZFKOKZNJ-LLVKDONJSA-N -1 0 348.447 3.728 20 0 EHADRM C[C@H](NC(=O)NCCCCCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000414599643 1017005065 /nfs/dbraw/zinc/00/50/65/1017005065.db2.gz NCTFXOOKDOLOHO-NSHDSACASA-N -1 0 346.349 3.711 20 0 EHADRM Cc1cc2occ(C(=O)N3CCC(CCC(=O)[O-])CC3)c2cc1C ZINC000659775695 1017008421 /nfs/dbraw/zinc/00/84/21/1017008421.db2.gz CLVUHEGFJZYKMI-UHFFFAOYSA-N -1 0 329.396 3.767 20 0 EHADRM CN(Cc1cc(F)c(F)c(F)c1)C(=O)c1ccc([O-])c(Cl)c1 ZINC000181919487 1017028254 /nfs/dbraw/zinc/02/82/54/1017028254.db2.gz GTFLUWKUCXTMCA-UHFFFAOYSA-N -1 0 329.705 3.735 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000414613350 1017032087 /nfs/dbraw/zinc/03/20/87/1017032087.db2.gz NBMXZAYPOCWHRP-OAHLLOKOSA-N -1 0 338.423 3.809 20 0 EHADRM Cc1ccc(-c2csc(CN([C@H](C)C(=O)[O-])C3CCC3)n2)cc1 ZINC000659795140 1017033349 /nfs/dbraw/zinc/03/33/49/1017033349.db2.gz NGZCWGUPRXWCCI-CYBMUJFWSA-N -1 0 330.453 3.946 20 0 EHADRM CN(Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)CC1=CCSC1 ZINC000659805772 1017047204 /nfs/dbraw/zinc/04/72/04/1017047204.db2.gz XYVIWAZRMNITNF-UHFFFAOYSA-N -1 0 346.477 3.613 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000414616166 1017049804 /nfs/dbraw/zinc/04/98/04/1017049804.db2.gz PYDCHWJURIVFIN-QGZVFWFLSA-N -1 0 336.407 3.563 20 0 EHADRM C[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1ccc(F)cc1F ZINC000183313653 1032190254 /nfs/dbraw/zinc/19/02/54/1032190254.db2.gz YAMIXPAEMBTHHF-ZCFIWIBFSA-N -1 0 331.240 3.579 20 0 EHADRM O=C(OCc1ccccc1)c1ccc(-c2nc(-c3ccco3)no2)[nH]1 ZINC000904758049 1032211983 /nfs/dbraw/zinc/21/19/83/1032211983.db2.gz JMEXZCUIOFKCOJ-UHFFFAOYSA-N -1 0 335.319 3.682 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000184022072 1032224510 /nfs/dbraw/zinc/22/45/10/1032224510.db2.gz VXHMUQJFAXVDOH-LLVKDONJSA-N -1 0 337.753 3.954 20 0 EHADRM CCc1csc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)n1 ZINC000461108051 1032258040 /nfs/dbraw/zinc/25/80/40/1032258040.db2.gz LUJNJEUAKYTLSP-UHFFFAOYSA-N -1 0 342.389 3.587 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)/C=C/c2ccc(F)c(Cl)c2)CC1 ZINC000321083973 1032265051 /nfs/dbraw/zinc/26/50/51/1032265051.db2.gz CDTVSUQYYGBKKA-GORDUTHDSA-N -1 0 339.794 3.596 20 0 EHADRM COc1ccc(-n2nc(C)cc2Nc2ccc(C(=O)[O-])cc2C)cc1 ZINC001211616645 1032283526 /nfs/dbraw/zinc/28/35/26/1032283526.db2.gz RZVFYDCOGYGZKJ-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM CCC[C@H]1CCCC[C@@H]1NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000081345100 1032301812 /nfs/dbraw/zinc/30/18/12/1032301812.db2.gz DEHLZBOXPVILFB-RDJZCZTQSA-N -1 0 341.455 3.563 20 0 EHADRM C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)N=c1[n-]ncs1 ZINC000461255626 1032356031 /nfs/dbraw/zinc/35/60/31/1032356031.db2.gz KHSQYCPLSPCJDV-CQSZACIVSA-N -1 0 338.436 3.755 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)N[C@H]1CCc2cccc3cccc1c32 ZINC000905126490 1032356061 /nfs/dbraw/zinc/35/60/61/1032356061.db2.gz PLIFWKLNUHCTMD-WQGACYEGSA-N -1 0 343.448 3.538 20 0 EHADRM Cc1csc(Nc2cccc(NC(=O)[C@@H]3CCC[C@@H]3C(=O)[O-])c2)n1 ZINC000905132025 1032358324 /nfs/dbraw/zinc/35/83/24/1032358324.db2.gz WMXXPCIHLATWLA-KGLIPLIRSA-N -1 0 345.424 3.635 20 0 EHADRM CC(C)C[C@H](C(=O)[O-])[S@](=O)Cc1nc(-c2ccccc2)cs1 ZINC000584395312 1032374473 /nfs/dbraw/zinc/37/44/73/1032374473.db2.gz YTCPPIRJKDSCGO-JLCFBVMHSA-N -1 0 337.466 3.558 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1 ZINC000538470418 1032393193 /nfs/dbraw/zinc/39/31/93/1032393193.db2.gz KXSIULSLQJLLKB-ZIAGYGMSSA-N -1 0 328.412 3.881 20 0 EHADRM CCCOc1cccc([N-]S(=O)(=O)c2cc(C)c(C)s2)c1 ZINC000536903431 1032417371 /nfs/dbraw/zinc/41/73/71/1032417371.db2.gz CYJREASNTOZULD-UHFFFAOYSA-N -1 0 325.455 3.955 20 0 EHADRM CCN(C(=O)CCc1ccccc1C(=O)[O-])[C@H](C)Cc1ccsc1 ZINC000263066357 1032429092 /nfs/dbraw/zinc/42/90/92/1032429092.db2.gz TUEDJRITRHHUQS-CQSZACIVSA-N -1 0 345.464 3.859 20 0 EHADRM CC[C@@H]1C[C@]1(NC(=O)NCCCCCC(=O)[O-])c1cccc(C)c1 ZINC000414629675 1017084790 /nfs/dbraw/zinc/08/47/90/1017084790.db2.gz RMHIHJLQAWQGJZ-DNVCBOLYSA-N -1 0 332.444 3.564 20 0 EHADRM C[C@@H](NC(=O)C1(C(=O)[O-])CC1)c1ccccc1Oc1ccccc1 ZINC000118957003 1032477653 /nfs/dbraw/zinc/47/76/53/1032477653.db2.gz MTQRFLACKWKQRJ-CYBMUJFWSA-N -1 0 325.364 3.521 20 0 EHADRM CCC[C@H](NC(=O)NCCCCCC(=O)[O-])c1ccc(F)cc1F ZINC000414632365 1017093068 /nfs/dbraw/zinc/09/30/68/1017093068.db2.gz SCHPZUXMWJMSHG-HNNXBMFYSA-N -1 0 342.386 3.750 20 0 EHADRM COCc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)ccc2O)cc1 ZINC000537036147 1032495480 /nfs/dbraw/zinc/49/54/80/1032495480.db2.gz NSXQNODRMMZHFM-UHFFFAOYSA-N -1 0 349.452 3.637 20 0 EHADRM C[C@H](Cc1cccs1)NC(=O)c1cccc(Br)c1[O-] ZINC000592831952 1032583173 /nfs/dbraw/zinc/58/31/73/1032583173.db2.gz ZFMPPPIDGNYIDL-SECBINFHSA-N -1 0 340.242 3.577 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)N[C@@H](CC1CCC1)c1ccccc1 ZINC000601994367 1032584960 /nfs/dbraw/zinc/58/49/60/1032584960.db2.gz VDPLFXSPIVGFQI-WWGRRREGSA-N -1 0 335.469 3.629 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-] ZINC000601992106 1032585109 /nfs/dbraw/zinc/58/51/09/1032585109.db2.gz JRPRZJMPZZSHCV-YUMQZZPRSA-N -1 0 333.862 3.595 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)N[C@H](c1ccccc1)C1CCCC1)C(=O)[O-] ZINC000601992610 1032585503 /nfs/dbraw/zinc/58/55/03/1032585503.db2.gz HWFNCYZTGDPWSW-HEHGZKQESA-N -1 0 335.469 3.629 20 0 EHADRM CC[C@@H]1CN(C(=O)[C@H](C)S[C@H](C)C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000602001450 1032588146 /nfs/dbraw/zinc/58/81/46/1032588146.db2.gz NYGMZGCGNWEUKX-KLZNWCGWSA-N -1 0 349.496 3.624 20 0 EHADRM CCOc1cc([N-]S(=O)(=O)c2cc(C)c(C)s2)ccc1OC ZINC000091014321 1032615943 /nfs/dbraw/zinc/61/59/43/1032615943.db2.gz HTZNEQNVUMMRTM-UHFFFAOYSA-N -1 0 341.454 3.573 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN(C(=O)NCCCCCC(=O)[O-])CC1 ZINC000414623563 1017073578 /nfs/dbraw/zinc/07/35/78/1017073578.db2.gz HMOCRZNNFKHJRS-HXUWFJFHSA-N -1 0 346.471 3.785 20 0 EHADRM CC(C)(C)OC(=O)Nc1cccc(Nc2ccc(C(=O)[O-])nc2)c1 ZINC001210175157 1017325152 /nfs/dbraw/zinc/32/51/52/1017325152.db2.gz FTYABFOOCVHZOG-UHFFFAOYSA-N -1 0 329.356 3.870 20 0 EHADRM Cc1cc(C)cc([C@@H]2CCN(C(=O)c3cc(F)c([O-])c(F)c3)C2)c1 ZINC000183557971 1017349058 /nfs/dbraw/zinc/34/90/58/1017349058.db2.gz UOXSSBYVIAROHV-CYBMUJFWSA-N -1 0 331.362 3.917 20 0 EHADRM COc1cc(OC)c(NCc2cc(C)c(C(=O)[O-])o2)cc1Cl ZINC000318265884 1032701693 /nfs/dbraw/zinc/70/16/93/1032701693.db2.gz KZHNIOSWBNKHDQ-UHFFFAOYSA-N -1 0 325.748 3.569 20 0 EHADRM O=C(NCC(F)(F)c1ccccc1)c1cc(F)cc(Cl)c1[O-] ZINC001161436309 1017496454 /nfs/dbraw/zinc/49/64/54/1017496454.db2.gz DEKKTMBVFKKVEE-UHFFFAOYSA-N -1 0 329.705 3.707 20 0 EHADRM Cc1ccc(SCC(=O)N[C@@H](CC(=O)[O-])C2CCCCC2)cc1 ZINC000537403255 1032704718 /nfs/dbraw/zinc/70/47/18/1032704718.db2.gz KIQPZRBQMRWBRG-INIZCTEOSA-N -1 0 335.469 3.627 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C/C=C/c1cccc(F)c1)C1CCCCC1 ZINC000537401864 1032705399 /nfs/dbraw/zinc/70/53/99/1032705399.db2.gz AMFSHSGNVZTUKD-UABRLCRWSA-N -1 0 333.403 3.769 20 0 EHADRM Oc1c(Cl)cccc1Nc1cccc(I)n1 ZINC001210216610 1017578370 /nfs/dbraw/zinc/57/83/70/1017578370.db2.gz YVPPHKIYSRFXNB-UHFFFAOYSA-N -1 0 346.555 3.789 20 0 EHADRM Nc1cc(F)c(Br)cc1Nc1cccc(C(=O)[O-])c1F ZINC001210242566 1017672565 /nfs/dbraw/zinc/67/25/65/1017672565.db2.gz PLTRCHVVMWSOPY-UHFFFAOYSA-N -1 0 343.127 3.751 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000048382388 1017679275 /nfs/dbraw/zinc/67/92/75/1017679275.db2.gz VTLBJHKRSPFBJT-OLZOCXBDSA-N -1 0 337.803 3.734 20 0 EHADRM CN(Cc1cc2ccccc2o1)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000472752308 1017727203 /nfs/dbraw/zinc/72/72/03/1017727203.db2.gz OVWDWVKTCNCOCM-UHFFFAOYSA-N -1 0 344.440 3.668 20 0 EHADRM Cc1cccc([C@H](NCc2nc3c(s2)CCCC3)C(=O)[O-])c1C ZINC000669472517 1032728309 /nfs/dbraw/zinc/72/83/09/1032728309.db2.gz PVTVBWSVRBAHLG-KRWDZBQOSA-N -1 0 330.453 3.554 20 0 EHADRM CCN(C(=O)NC[C@H](C(=O)[O-])C(C)C)[C@H](C)c1cc2ccccc2o1 ZINC000655891424 1017860012 /nfs/dbraw/zinc/86/00/12/1017860012.db2.gz DKYRPLUXAUHQNO-HIFRSBDPSA-N -1 0 346.427 3.882 20 0 EHADRM CCCN(C(=O)NC[C@H](C)C(=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000655889221 1017864223 /nfs/dbraw/zinc/86/42/23/1017864223.db2.gz SWKNKZBEZGJCPL-STQMWFEESA-N -1 0 332.400 3.636 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2cccc(OC(F)F)c2)CCCC1 ZINC000077589109 1018019962 /nfs/dbraw/zinc/01/99/62/1018019962.db2.gz XLJKAZALXDBVOA-UHFFFAOYSA-N -1 0 327.327 3.652 20 0 EHADRM C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000155510389 1018090481 /nfs/dbraw/zinc/09/04/81/1018090481.db2.gz RIVULCGIXGWCFS-ZETCQYMHSA-N -1 0 349.214 3.551 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N(C)[C@H](C)Cc2ccc(C)cc2)s1 ZINC000606543759 1032744748 /nfs/dbraw/zinc/74/47/48/1032744748.db2.gz CIVRWVMSZYVFRB-CQSZACIVSA-N -1 0 346.500 3.706 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000653297317 1018356872 /nfs/dbraw/zinc/35/68/72/1018356872.db2.gz NQXVTQIMTHGIPM-YPMHNXCESA-N -1 0 343.345 3.569 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1scnc1C1CC1 ZINC000548030849 1018395420 /nfs/dbraw/zinc/39/54/20/1018395420.db2.gz JSRGMQUUQQLKEX-UHFFFAOYSA-N -1 0 326.468 3.543 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)N[C@H]2CCCC[C@H]2c2ccccc2)C1 ZINC000580049171 1018547316 /nfs/dbraw/zinc/54/73/16/1018547316.db2.gz YWQPBUOXIOGGMP-SZMVWBNQSA-N -1 0 344.455 3.609 20 0 EHADRM COc1cc(Nc2ccc3ccccc3c2S(=O)(=O)[O-])cc(C)n1 ZINC001210781053 1018678624 /nfs/dbraw/zinc/67/86/24/1018678624.db2.gz WBZYDIAORRGPSF-UHFFFAOYSA-N -1 0 344.392 3.542 20 0 EHADRM CCN(C(=O)c1ccc(C(=O)[O-])cc1)[C@H](C)c1cccc(OC)c1 ZINC000237043662 1018730622 /nfs/dbraw/zinc/73/06/22/1018730622.db2.gz ZOUDYYGPXDKOLB-CYBMUJFWSA-N -1 0 327.380 3.617 20 0 EHADRM O=C([O-])[C@H](CC1CC1)NC(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000580271924 1018901434 /nfs/dbraw/zinc/90/14/34/1018901434.db2.gz CZQDMVCALNHMAK-KRWDZBQOSA-N -1 0 346.427 3.521 20 0 EHADRM Cc1ccccc1-c1ccccc1CN=c1[n-]nc([C@@H]2CCCO2)o1 ZINC000580284901 1018919652 /nfs/dbraw/zinc/91/96/52/1018919652.db2.gz PMQXQKQKQSBOIA-SFHVURJKSA-N -1 0 335.407 3.931 20 0 EHADRM C[C@H](COc1ccc(F)cc1F)NC(=O)c1cccc(Cl)c1[O-] ZINC001125436437 1018972143 /nfs/dbraw/zinc/97/21/43/1018972143.db2.gz JATVBBJXLXORIV-SECBINFHSA-N -1 0 341.741 3.521 20 0 EHADRM Cc1cc(N=c2[n-]nc(-c3ccccn3)s2)nn1C1CCCCC1 ZINC000576440693 1018988458 /nfs/dbraw/zinc/98/84/58/1018988458.db2.gz UCFLHWHDADEWOI-UHFFFAOYSA-N -1 0 340.456 3.776 20 0 EHADRM Cc1ncccc1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000340633335 1019018807 /nfs/dbraw/zinc/01/88/07/1019018807.db2.gz FLNYIHNJVXHMSR-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CCSCc1cccc([N-]S(=O)(=O)c2sc(C)nc2C)c1 ZINC000433506428 1019026551 /nfs/dbraw/zinc/02/65/51/1019026551.db2.gz NNUOKVBXEYSYEO-UHFFFAOYSA-N -1 0 342.511 3.814 20 0 EHADRM CCN(Cc1ccc(Cl)cc1)C(=O)N=c1[n-]nc(C2CC2)s1 ZINC000549925835 1019129515 /nfs/dbraw/zinc/12/95/15/1019129515.db2.gz ZGTMJOVUIWBJPU-UHFFFAOYSA-N -1 0 336.848 3.545 20 0 EHADRM CC(C)[C@H]1CCC[C@H](NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)C1 ZINC000728981902 1019144277 /nfs/dbraw/zinc/14/42/77/1019144277.db2.gz KWODHWBGQJKDKV-AAEUAGOBSA-N -1 0 345.468 3.569 20 0 EHADRM CCCCS(=O)(=O)[N-]C(=O)c1sc2cc(C)ccc2c1Cl ZINC000729183033 1019220105 /nfs/dbraw/zinc/22/01/05/1019220105.db2.gz CPWMGJDDGDMQCU-UHFFFAOYSA-N -1 0 345.873 3.723 20 0 EHADRM COc1ccc(NC(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])cc1 ZINC000683921151 1019241734 /nfs/dbraw/zinc/24/17/34/1019241734.db2.gz IGZSYMGYDDMXAC-PBHICJAKSA-N -1 0 346.427 3.583 20 0 EHADRM CCCN(C(=O)N=c1[n-]nc(C2CC2)s1)[C@H]1CCc2ccccc21 ZINC000549929573 1019287398 /nfs/dbraw/zinc/28/73/98/1019287398.db2.gz GVLWIXJFRMZGMA-HNNXBMFYSA-N -1 0 342.468 3.769 20 0 EHADRM COc1c(C)cc(S(=O)(=O)[N-]c2cccc3ccn(C)c32)cc1C ZINC000471575584 1019334717 /nfs/dbraw/zinc/33/47/17/1019334717.db2.gz VIRFBWIMKZYRPZ-UHFFFAOYSA-N -1 0 344.436 3.605 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)C2CC3(CCC3)C2)c1 ZINC000565662200 1019392094 /nfs/dbraw/zinc/39/20/94/1019392094.db2.gz WNQYYZZZYWVBCC-UHFFFAOYSA-N -1 0 333.453 3.913 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)NCc2ccc(C(C)C)cc2)s1 ZINC000510330188 1019410403 /nfs/dbraw/zinc/41/04/03/1019410403.db2.gz DVZDRDHZUKGZCO-UHFFFAOYSA-N -1 0 332.473 3.604 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)s1 ZINC000312879865 1019491451 /nfs/dbraw/zinc/49/14/51/1019491451.db2.gz VDTGTVWZDGZMQJ-UHFFFAOYSA-N -1 0 335.809 3.664 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N[C@@H](CCc1ccccc1)c1ccccc1 ZINC000262129532 1019544168 /nfs/dbraw/zinc/54/41/68/1019544168.db2.gz NWAKCRRCQJVBGZ-QRVBRYPASA-N -1 0 337.419 3.588 20 0 EHADRM Cc1ccc([C@H](NC(=O)CC2CCC(C(=O)[O-])CC2)C(F)(F)F)o1 ZINC000656247700 1019578405 /nfs/dbraw/zinc/57/84/05/1019578405.db2.gz UIJNKTBOSABOSM-MGULZYLOSA-N -1 0 347.333 3.589 20 0 EHADRM Cc1oc(CN(C)C(=O)CCCc2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000262408012 1019617724 /nfs/dbraw/zinc/61/77/24/1019617724.db2.gz AXNFUNKYPFJYHC-UHFFFAOYSA-N -1 0 349.814 3.921 20 0 EHADRM COC(=O)c1[n-]c(=N[C@@H](C)c2oc3ccccc3c2C)sc1C ZINC000433813176 1019637777 /nfs/dbraw/zinc/63/77/77/1019637777.db2.gz OXPVBORERWPGPO-JTQLQIEISA-N -1 0 330.409 3.888 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCSC12CCCCC2 ZINC000580595655 1019713930 /nfs/dbraw/zinc/71/39/30/1019713930.db2.gz QORHBADWCZXYED-UHFFFAOYSA-N -1 0 331.359 3.659 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000262848239 1019745187 /nfs/dbraw/zinc/74/51/87/1019745187.db2.gz CWIWXZCJXIPBBD-KOLCDFICSA-N -1 0 345.317 3.701 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(SC(F)F)cc2)C1 ZINC000262851408 1019746894 /nfs/dbraw/zinc/74/68/94/1019746894.db2.gz HWOQSZYFXUQKNE-MRXNPFEDSA-N -1 0 343.395 3.574 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)CCCc2ccc(Cl)cc2)C1 ZINC000262852744 1019748540 /nfs/dbraw/zinc/74/85/40/1019748540.db2.gz HZPRTURSBCDHIK-GOSISDBHSA-N -1 0 337.847 3.622 20 0 EHADRM C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)CC[C@H]1C(=O)[O-] ZINC000262871512 1019751841 /nfs/dbraw/zinc/75/18/41/1019751841.db2.gz GCFRCYLTCSBQAT-BYNBJNPRSA-N -1 0 337.419 3.513 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)CC2CC(c3ccccc3)C2)c1 ZINC000263339780 1019879101 /nfs/dbraw/zinc/87/91/01/1019879101.db2.gz OOIBWNSRWFGSTP-UHFFFAOYSA-N -1 0 339.391 3.672 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)c2ccc(C(=O)[O-])c(C)n2)c1C ZINC000263355803 1019882288 /nfs/dbraw/zinc/88/22/88/1019882288.db2.gz RPRWOSOAMQOLPJ-GOSISDBHSA-N -1 0 338.407 3.682 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)C1 ZINC000580714106 1019890290 /nfs/dbraw/zinc/89/02/90/1019890290.db2.gz SKOIRPJEQIXSIR-CODKJTEISA-N -1 0 337.419 3.513 20 0 EHADRM CCN(CC(=O)[O-])C(=O)Nc1cccc(CO[C@H]2CCC[C@H](C)C2)c1 ZINC000580792990 1020017617 /nfs/dbraw/zinc/01/76/17/1020017617.db2.gz NHBLCTHQVDTCOU-YOEHRIQHSA-N -1 0 348.443 3.720 20 0 EHADRM CCSc1n[n-]c(=NC(=O)NCc2ccc(C(C)C)cc2)s1 ZINC000510349422 1020028803 /nfs/dbraw/zinc/02/88/03/1020028803.db2.gz AWBJNHQRRQFKBW-UHFFFAOYSA-N -1 0 336.486 3.517 20 0 EHADRM O=C(N[C@@H]1CCCOc2ccccc21)c1ccc2[n-]c(=S)oc2c1 ZINC000172732865 1032876244 /nfs/dbraw/zinc/87/62/44/1032876244.db2.gz LQKLJVNKQLEELX-CYBMUJFWSA-N -1 0 340.404 3.760 20 0 EHADRM Clc1ccc([C@H]2CC[C@@H](N=c3[n-]c(C4CCOCC4)no3)C2)cc1 ZINC000574257512 1032888172 /nfs/dbraw/zinc/88/81/72/1032888172.db2.gz MEUBSALMXKSVRP-GOEBONIOSA-N -1 0 347.846 3.787 20 0 EHADRM Cc1cnc(F)c(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)c1 ZINC001211506247 1020290147 /nfs/dbraw/zinc/29/01/47/1020290147.db2.gz SVDQSBMGVVBMQR-UHFFFAOYSA-N -1 0 332.356 3.673 20 0 EHADRM COC(=O)c1[n-]c(=N[C@H]2CC(C)(C)Cc3oc(C)cc32)sc1C ZINC000434096930 1020365363 /nfs/dbraw/zinc/36/53/63/1020365363.db2.gz ZLZPURSYHHDARO-LBPRGKRZSA-N -1 0 334.441 3.687 20 0 EHADRM CCCCN(C(=O)N=c1[n-]nc(CC)s1)[C@@H](C)c1ccccc1 ZINC000548152280 1020382319 /nfs/dbraw/zinc/38/23/19/1020382319.db2.gz LESBSVBHNQNNLR-ZDUSSCGKSA-N -1 0 332.473 3.918 20 0 EHADRM C[C@@H](Cc1ccsc1)NC(=O)N(CC(=O)[O-])[C@@H](C)c1ccccc1 ZINC000581049662 1020382412 /nfs/dbraw/zinc/38/24/12/1020382412.db2.gz KQCDBPGXSZFAEL-KBPBESRZSA-N -1 0 346.452 3.537 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c2n[nH]cc21 ZINC000340849710 1020419475 /nfs/dbraw/zinc/41/94/75/1020419475.db2.gz NTNVRTYCAONHQT-UHFFFAOYSA-N -1 0 337.351 3.610 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1c[nH]nc1-c1ccccc1 ZINC000345657123 1020430208 /nfs/dbraw/zinc/43/02/08/1020430208.db2.gz NWAGEPJWBNUFIB-UHFFFAOYSA-N -1 0 331.734 3.827 20 0 EHADRM Cc1nc(Br)ccc1Nc1c(F)cc(C(=O)[O-])cc1F ZINC001215609014 1020438663 /nfs/dbraw/zinc/43/86/63/1020438663.db2.gz NPCVDRBMAFTUQG-UHFFFAOYSA-N -1 0 343.127 3.873 20 0 EHADRM C[C@H]1CCC[C@@H](N(C)C(=O)N=c2[n-]nc(-c3ccccc3)s2)C1 ZINC000548154897 1020494900 /nfs/dbraw/zinc/49/49/00/1020494900.db2.gz QKZVUTKAXOVUMT-GXTWGEPZSA-N -1 0 330.457 3.669 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cc1csc2ccccc12 ZINC000345771156 1020501267 /nfs/dbraw/zinc/50/12/67/1020501267.db2.gz FRVXXVWDMSIZAJ-KCXAZCMYSA-N -1 0 343.448 3.688 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(Br)c(Cl)c1 ZINC000263534944 1020508786 /nfs/dbraw/zinc/50/87/86/1020508786.db2.gz YQPDXJHDRZWJGG-MWLCHTKSSA-N -1 0 346.652 3.788 20 0 EHADRM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000096659772 1020543843 /nfs/dbraw/zinc/54/38/43/1020543843.db2.gz SXNZSGDNXZQHGN-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM Cc1cc(NC(=O)c2ccc(C(=O)[O-])s2)ccc1Br ZINC000035185568 1032920363 /nfs/dbraw/zinc/92/03/63/1032920363.db2.gz KJACQPFDBWDZNA-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000656484550 1020706187 /nfs/dbraw/zinc/70/61/87/1020706187.db2.gz USKGLZAAECMRSU-GHMZBOCLSA-N -1 0 325.817 3.667 20 0 EHADRM CCOc1ccc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)c(C)c1 ZINC000048382499 1020730014 /nfs/dbraw/zinc/73/00/14/1020730014.db2.gz OSHNXMKIMPYYFH-FQEVSTJZSA-N -1 0 341.407 3.765 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2cnn([C@H](C)C3CC3)c2)cc1 ZINC000187727301 1020814664 /nfs/dbraw/zinc/81/46/64/1020814664.db2.gz DZCKXDTYYWGIME-CYBMUJFWSA-N -1 0 333.457 3.607 20 0 EHADRM C[C@@H]1CC(NC(=O)N=c2[n-]nc(-c3ccsc3)s2)C[C@@H](C)C1 ZINC000606944302 1032934663 /nfs/dbraw/zinc/93/46/63/1032934663.db2.gz OUFPAJNKJCWQOX-UWVGGRQHSA-N -1 0 336.486 3.635 20 0 EHADRM CCCOc1ccc(C[NH2+]Cc2ccc(C(=O)[O-])c(CC)n2)c(C)c1 ZINC000656565714 1020924125 /nfs/dbraw/zinc/92/41/25/1020924125.db2.gz RPWFMZAQPZBPGX-UHFFFAOYSA-N -1 0 342.439 3.729 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1ccc(-n2cccn2)nc1 ZINC000760424626 1032943398 /nfs/dbraw/zinc/94/33/98/1032943398.db2.gz ANCPUNUFCCTKHW-UHFFFAOYSA-N -1 0 349.177 3.532 20 0 EHADRM CCc1noc(C)c1[N-]S(=O)(=O)c1cccc(O[C@H](C)CC)c1 ZINC000656625686 1021060498 /nfs/dbraw/zinc/06/04/98/1021060498.db2.gz HIHFGEBQGLRNHV-LLVKDONJSA-N -1 0 338.429 3.524 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCOC3)sc1Cl ZINC000656647707 1021081462 /nfs/dbraw/zinc/08/14/62/1021081462.db2.gz YRVOZPSZNPBFKF-UHFFFAOYSA-N -1 0 343.857 3.583 20 0 EHADRM CCC(CC)(CC(=O)NCc1cccc(-c2ccccn2)c1)C(=O)[O-] ZINC000439139764 1021176049 /nfs/dbraw/zinc/17/60/49/1021176049.db2.gz GKYFKOSDZOYAOI-UHFFFAOYSA-N -1 0 340.423 3.646 20 0 EHADRM C[C@H](CC1CC1)NC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000436770141 1021217773 /nfs/dbraw/zinc/21/77/73/1021217773.db2.gz LJYSAEBKVZQBNI-SSDOTTSWSA-N -1 0 332.625 3.727 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)Cc2c(C)nn(C(C)C)c2C)c1 ZINC000436765646 1021212805 /nfs/dbraw/zinc/21/28/05/1021212805.db2.gz QJICWTVRRXXKRM-UHFFFAOYSA-N -1 0 343.427 3.560 20 0 EHADRM O=S(=O)([N-]c1cncc2c1CCCC2)c1ccc(C(F)F)cc1 ZINC000656736621 1021229102 /nfs/dbraw/zinc/22/91/02/1021229102.db2.gz KCSIOAAFFGFBRK-UHFFFAOYSA-N -1 0 338.379 3.699 20 0 EHADRM Cc1ccc(Br)cc1C(=O)Nc1ccc(F)c(F)c1[O-] ZINC001625988110 1032966870 /nfs/dbraw/zinc/96/68/70/1032966870.db2.gz QKYDPDJMMYMTGQ-UHFFFAOYSA-N -1 0 342.139 3.994 20 0 EHADRM CCn1ncc(C)c1[N-]S(=O)(=O)c1ccc(CCC(C)C)cc1 ZINC000656742055 1021248088 /nfs/dbraw/zinc/24/80/88/1021248088.db2.gz VMSXOJWJOGIGGI-UHFFFAOYSA-N -1 0 335.473 3.601 20 0 EHADRM C[C@@H](O)C[C@@H]1CCCCN1C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436811906 1021254766 /nfs/dbraw/zinc/25/47/66/1021254766.db2.gz WFHWKLLUKXNWNV-OLZOCXBDSA-N -1 0 347.842 3.964 20 0 EHADRM CCOC(=O)CC[C@@H](C)Sc1n[n-]c(=NC2CCCCC2)s1 ZINC000550014116 1021257262 /nfs/dbraw/zinc/25/72/62/1021257262.db2.gz VAPXRIIJCATEHZ-LLVKDONJSA-N -1 0 343.518 3.529 20 0 EHADRM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cc(F)c([O-])c(F)c3)C2)cc1 ZINC000436830113 1021262606 /nfs/dbraw/zinc/26/26/06/1021262606.db2.gz UPBQFBHJTYKKJO-SWLSCSKDSA-N -1 0 331.362 3.997 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)c2c([O-])cc(Cl)cc2Cl)CCCO1 ZINC000436821086 1021273404 /nfs/dbraw/zinc/27/34/04/1021273404.db2.gz OCAYKLKDLMNMCD-ZDUSSCGKSA-N -1 0 332.227 3.586 20 0 EHADRM COc1ccccc1-c1n[n-]c(=NCc2ccc3c(c2)CCCC3)o1 ZINC000427280785 1021275345 /nfs/dbraw/zinc/27/53/45/1021275345.db2.gz NOYZWZVXEFFGME-UHFFFAOYSA-N -1 0 335.407 3.658 20 0 EHADRM COc1cccc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1Cl ZINC000656755998 1021277793 /nfs/dbraw/zinc/27/77/93/1021277793.db2.gz GDILZMPTFYNVOD-HNNXBMFYSA-N -1 0 331.799 3.533 20 0 EHADRM CN(C[C@H]1CC=CCC1)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000436855228 1021279656 /nfs/dbraw/zinc/27/96/56/1021279656.db2.gz VBZROVPEKHJXCK-JTQLQIEISA-N -1 0 342.208 3.722 20 0 EHADRM C[C@H]1C[C@H](CCNC(=O)c2c([O-])cc(Cl)cc2Cl)CCO1 ZINC000436839082 1021282860 /nfs/dbraw/zinc/28/28/60/1021282860.db2.gz OELSFBWEWAKLOI-VHSXEESVSA-N -1 0 332.227 3.634 20 0 EHADRM Oc1cccc2c1C[C@@H](N=c1[n-]nc(-c3ccccc3Cl)s1)C2 ZINC000436842518 1021287373 /nfs/dbraw/zinc/28/73/73/1021287373.db2.gz YBOAOYNWEXAGAC-NSHDSACASA-N -1 0 343.839 3.565 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)Nc3ccc(O)cc3)n2)c1 ZINC000436842306 1021287457 /nfs/dbraw/zinc/28/74/57/1021287457.db2.gz CUPPMHHZMUONDV-UHFFFAOYSA-N -1 0 337.379 3.659 20 0 EHADRM CC1(C)CO[C@H](c2cccc(F)c2)CN1Cc1ccccc1C(=O)[O-] ZINC000656764703 1021290473 /nfs/dbraw/zinc/29/04/73/1021290473.db2.gz DJKSZWUVHAGYOX-SFHVURJKSA-N -1 0 343.398 3.876 20 0 EHADRM COCCOc1cccc(/C=C\c2nc3ccc(C(=O)[O-])cc3o2)c1 ZINC000439266922 1021294684 /nfs/dbraw/zinc/29/46/84/1021294684.db2.gz CYKYLHUPAJFLMK-YVMONPNESA-N -1 0 339.347 3.722 20 0 EHADRM CC1(C)CO[C@H](c2cccc(F)c2)CN1Cc1ccc(C(=O)[O-])s1 ZINC000656764847 1021297556 /nfs/dbraw/zinc/29/75/56/1021297556.db2.gz FPKIPXZSAUBDDD-HNNXBMFYSA-N -1 0 349.427 3.938 20 0 EHADRM CCc1ncsc1NC(=O)c1cc(F)cc(Br)c1[O-] ZINC000436865041 1021302384 /nfs/dbraw/zinc/30/23/84/1021302384.db2.gz RBJLZNOSRSDBHH-UHFFFAOYSA-N -1 0 345.193 3.565 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2sccc2OC(F)F)c1 ZINC000436867695 1021307133 /nfs/dbraw/zinc/30/71/33/1021307133.db2.gz DWYPGNDGXYAFRS-UHFFFAOYSA-N -1 0 327.308 3.510 20 0 EHADRM Cc1c(C(=O)[O-])sc2ncnc(N3CCC(c4ccco4)CC3)c12 ZINC000656781576 1021319811 /nfs/dbraw/zinc/31/98/11/1021319811.db2.gz CPLRUHALUBUOIF-UHFFFAOYSA-N -1 0 343.408 3.675 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2cnn(-c3ccccc3C)c2C)c1 ZINC000436877672 1021327611 /nfs/dbraw/zinc/32/76/11/1021327611.db2.gz QBDNPIZNSQTTSK-UHFFFAOYSA-N -1 0 349.390 3.650 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CCOc2cc(C)cc(C)c2)c1 ZINC000436878507 1021328391 /nfs/dbraw/zinc/32/83/91/1021328391.db2.gz TVRNTAFNGNTUFX-UHFFFAOYSA-N -1 0 327.380 3.619 20 0 EHADRM COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436907450 1021353966 /nfs/dbraw/zinc/35/39/66/1021353966.db2.gz GFHDLCODIYBAMK-MAUKXSAKSA-N -1 0 349.789 3.653 20 0 EHADRM CN(Cc1cc(F)cc(F)c1)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436909503 1021355893 /nfs/dbraw/zinc/35/58/93/1021355893.db2.gz YYEFSKKIQHQMQH-UHFFFAOYSA-N -1 0 329.705 3.735 20 0 EHADRM CC(=O)c1cc([N-]S(=O)(=O)c2cccc(C)c2Cl)ccc1F ZINC000507587877 1021374973 /nfs/dbraw/zinc/37/49/73/1021374973.db2.gz XQRGTXBRAJADJN-UHFFFAOYSA-N -1 0 341.791 3.791 20 0 EHADRM Cc1cccc2c1N(C1CC1)CCN2C(=O)c1ccc([O-])c(Cl)c1 ZINC000436923000 1021382876 /nfs/dbraw/zinc/38/28/76/1021382876.db2.gz AEGJVRSQBICESG-UHFFFAOYSA-N -1 0 342.826 3.983 20 0 EHADRM Cc1n[nH]cc1CCCNC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436925376 1021383269 /nfs/dbraw/zinc/38/32/69/1021383269.db2.gz IXIJFLOOXGEOGZ-UHFFFAOYSA-N -1 0 343.814 3.593 20 0 EHADRM O=C(NC[C@H]1COc2ccccc21)c1c([O-])cc(Cl)cc1Cl ZINC000436928062 1021387091 /nfs/dbraw/zinc/38/70/91/1021387091.db2.gz RIQCLQWGFBSWPP-VIFPVBQESA-N -1 0 338.190 3.605 20 0 EHADRM COc1ccc(C(=O)NCc2cc(C)cc3c(C)c(C)[nH]c32)c(O)c1 ZINC000436934199 1021395202 /nfs/dbraw/zinc/39/52/02/1021395202.db2.gz SDZCAMKKCXZGLV-UHFFFAOYSA-N -1 0 338.407 3.737 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccccc2)s1)c1cc2occc2s1 ZINC000605453061 1021398121 /nfs/dbraw/zinc/39/81/21/1021398121.db2.gz PPTZVVZGDNKYPF-UHFFFAOYSA-N -1 0 327.390 3.687 20 0 EHADRM [O-]c1ccc(Cl)cc1-c1nc(-c2cccc(-n3ccnc3)c2)no1 ZINC000436936678 1021400286 /nfs/dbraw/zinc/40/02/86/1021400286.db2.gz GMWCFYOGLUXGGM-UHFFFAOYSA-N -1 0 338.754 3.948 20 0 EHADRM CO[C@@H](c1noc(-c2ccc(Cl)cc2[O-])n1)c1ccc(F)cc1 ZINC000436955107 1021419508 /nfs/dbraw/zinc/41/95/08/1021419508.db2.gz YUHCXSVKKZOPHP-CQSZACIVSA-N -1 0 334.734 3.971 20 0 EHADRM CCCN(C(=O)c1c([O-])cccc1F)[C@@H]1CCCc2cccnc21 ZINC000436973517 1021427352 /nfs/dbraw/zinc/42/73/52/1021427352.db2.gz TZGPRYGYUMXHPN-OAHLLOKOSA-N -1 0 328.387 3.856 20 0 EHADRM O=C(NCCC1Cc2ccccc2C1)c1cc(F)c([O-])c(Cl)c1 ZINC000436982872 1021438232 /nfs/dbraw/zinc/43/82/32/1021438232.db2.gz VIGQCBZJCVWBOA-UHFFFAOYSA-N -1 0 333.790 3.720 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)c2nn(-c3ccccc3)cc2[O-])c1C ZINC000439444288 1021443395 /nfs/dbraw/zinc/44/33/95/1021443395.db2.gz WWNPBLFYNAFPFI-OAHLLOKOSA-N -1 0 335.407 3.686 20 0 EHADRM C[C@@H](c1ccco1)N(C)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000436995195 1021450859 /nfs/dbraw/zinc/45/08/59/1021450859.db2.gz ACXVPZXAVDMPAI-QMMMGPOBSA-N -1 0 342.164 3.720 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3CCC[C@H](C(=O)[O-])C3)c(C)c2)o1 ZINC000581677447 1021463165 /nfs/dbraw/zinc/46/31/65/1021463165.db2.gz BCSAGBFELJMQBR-HNNXBMFYSA-N -1 0 327.380 3.500 20 0 EHADRM CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)N=c1cccn[n-]1 ZINC000439474377 1021469952 /nfs/dbraw/zinc/46/99/52/1021469952.db2.gz XBAFIUGQWURWNW-UHFFFAOYSA-N -1 0 330.819 3.552 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cccs2)nn1C1CCCCC1 ZINC000516520939 1021511996 /nfs/dbraw/zinc/51/19/96/1021511996.db2.gz ZIZMMMZBWYOAKZ-UHFFFAOYSA-N -1 0 325.459 3.559 20 0 EHADRM CC(C)c1ccc2nc(-c3ccc(CCC(=O)[O-])cc3)[nH]c(=O)c2c1 ZINC000139575264 1032985593 /nfs/dbraw/zinc/98/55/93/1032985593.db2.gz LRXFSBIBMOUCFV-UHFFFAOYSA-N -1 0 336.391 3.731 20 0 EHADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)c1ccc3c(c1)Cc1ccccc1-3)C2 ZINC000341366209 1021549738 /nfs/dbraw/zinc/54/97/38/1021549738.db2.gz RYRHNEMKJYKGRD-HTAPYJJXSA-N -1 0 347.414 3.585 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2csc3ccccc32)c2n[nH]cc21 ZINC000506645071 1021633105 /nfs/dbraw/zinc/63/31/05/1021633105.db2.gz GGFXDWCLCMNBMT-UHFFFAOYSA-N -1 0 343.433 3.887 20 0 EHADRM COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1ccc([O-])c(Cl)c1 ZINC000439733436 1021678741 /nfs/dbraw/zinc/67/87/41/1021678741.db2.gz OBFICMIPPJDWRU-WMZOPIPTSA-N -1 0 331.799 3.514 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)CC1(C)CCCCC1 ZINC000548209411 1021715576 /nfs/dbraw/zinc/71/55/76/1021715576.db2.gz JRVDVMIKNYXNOU-UHFFFAOYSA-N -1 0 339.457 3.714 20 0 EHADRM C[C@H](CC(=O)[O-])N(C)C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000516786989 1021729692 /nfs/dbraw/zinc/72/96/92/1021729692.db2.gz IAFAGBRDYIHGFA-SNVBAGLBSA-N -1 0 332.227 3.638 20 0 EHADRM CCc1nc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)sc1C ZINC000437348807 1021748045 /nfs/dbraw/zinc/74/80/45/1021748045.db2.gz WTTLMEJQSPARSL-UHFFFAOYSA-N -1 0 328.434 3.571 20 0 EHADRM COc1cccc(Cl)c1CC(=O)Nc1cc(C)c(C)c(C(=O)[O-])c1 ZINC000439891195 1021790213 /nfs/dbraw/zinc/79/02/13/1021790213.db2.gz BNACOECORNPNJK-UHFFFAOYSA-N -1 0 347.798 3.845 20 0 EHADRM Cc1cc(Br)ccc1C[S@](=O)[C@H](CC(C)C)C(=O)[O-] ZINC000578158436 1021824619 /nfs/dbraw/zinc/82/46/19/1021824619.db2.gz UIDBELWQYZSEFB-YJYMSZOUSA-N -1 0 347.274 3.506 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)c2ccc(C(C)C)s2)sc1C(=O)[O-] ZINC000439922024 1021827676 /nfs/dbraw/zinc/82/76/76/1021827676.db2.gz PDYPIQFHSQCMHM-SECBINFHSA-N -1 0 338.454 3.826 20 0 EHADRM COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)[C@@H](C)C(=O)[O-])cc1 ZINC000516926718 1021859321 /nfs/dbraw/zinc/85/93/21/1021859321.db2.gz IMHNWPNKBRMARN-KGLIPLIRSA-N -1 0 341.407 3.602 20 0 EHADRM Cc1n[n-]c(=NC(=O)N2CCCCC[C@@H]2/C=C/c2ccccc2)s1 ZINC000440922902 1021873111 /nfs/dbraw/zinc/87/31/11/1021873111.db2.gz ZQGRBHDDIBYVJC-LPQFERQCSA-N -1 0 342.468 3.758 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)N=c1[n-]nc(C2CC2)s1)C(C)C ZINC000581842910 1021873132 /nfs/dbraw/zinc/87/31/32/1021873132.db2.gz SUNUADABEQXUIA-CQSZACIVSA-N -1 0 330.457 3.665 20 0 EHADRM CN(C)C(=O)N(CC1CC1)[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000548247387 1021873683 /nfs/dbraw/zinc/87/36/83/1021873683.db2.gz LTZPVYCSYYLSGZ-CYBMUJFWSA-N -1 0 345.226 3.513 20 0 EHADRM CC(C)N(CC1CCC1)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000416218505 1021880286 /nfs/dbraw/zinc/88/02/86/1021880286.db2.gz FLZCRJUSOVJHSF-UHFFFAOYSA-N -1 0 344.224 3.945 20 0 EHADRM CCN(C(=O)N(C)[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1)C(C)C ZINC000548252847 1021886280 /nfs/dbraw/zinc/88/62/80/1021886280.db2.gz QIFCTHGNDABTLM-CYBMUJFWSA-N -1 0 347.242 3.901 20 0 EHADRM CCCOc1ccc(CN=c2nc(CC)[n-]s2)c(OC(F)F)c1 ZINC000471733200 1021888582 /nfs/dbraw/zinc/88/85/82/1021888582.db2.gz BJABTEOLHVBJJG-UHFFFAOYSA-N -1 0 343.399 3.525 20 0 EHADRM CCN(C(=O)c1cc(F)cc(Br)c1[O-])C1CC(C)(C)C1 ZINC000416251369 1021892232 /nfs/dbraw/zinc/89/22/32/1021892232.db2.gz JCKHMCABBLQCCT-UHFFFAOYSA-N -1 0 344.224 3.945 20 0 EHADRM CCc1nc(=NCc2ccc(COCc3ccccc3)cc2)s[n-]1 ZINC000426560654 1021914492 /nfs/dbraw/zinc/91/44/92/1021914492.db2.gz RAPBHYAVMRDYHW-UHFFFAOYSA-N -1 0 339.464 3.851 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)s1 ZINC000437552430 1021936945 /nfs/dbraw/zinc/93/69/45/1021936945.db2.gz AVHKUEQMDGBTFW-HIFRSBDPSA-N -1 0 344.484 3.570 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N(C)[C@H](CC)Cc2ccccc2)s1 ZINC000437593655 1021969278 /nfs/dbraw/zinc/96/92/78/1021969278.db2.gz UMEFBTWEFKBCNM-OAHLLOKOSA-N -1 0 346.500 3.788 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)c2coc(C3CCCCC3)n2)s[n-]1 ZINC000548273170 1021977795 /nfs/dbraw/zinc/97/77/95/1021977795.db2.gz QKNCGPYSXGUHCE-UHFFFAOYSA-N -1 0 334.445 3.546 20 0 EHADRM O=C(Nc1ccc2c(c1)CCCO2)c1cccc(Br)c1[O-] ZINC000519334559 1022006426 /nfs/dbraw/zinc/00/64/26/1022006426.db2.gz APIRQOFKUPJTMV-UHFFFAOYSA-N -1 0 348.196 3.732 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N[C@H]2CCC[C@H]2C)s1)c1ccccc1 ZINC000519340825 1022020596 /nfs/dbraw/zinc/02/05/96/1022020596.db2.gz IZLZSLNYVPYWIO-YUELXQCFSA-N -1 0 344.484 3.812 20 0 EHADRM Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccco3)cn2)cc1C ZINC000437659364 1022036096 /nfs/dbraw/zinc/03/60/96/1022036096.db2.gz BTKYAQZMUWIELE-UHFFFAOYSA-N -1 0 344.392 3.885 20 0 EHADRM CC(C)n1nccc1[N-]S(=O)(=O)c1cccc(-c2ccccc2)c1 ZINC000506806993 1022050560 /nfs/dbraw/zinc/05/05/60/1022050560.db2.gz TZVBSCONFFUNKV-UHFFFAOYSA-N -1 0 341.436 3.932 20 0 EHADRM CCSc1n[n-]c(=NC(=O)NCCCCC2CCCC2)s1 ZINC000437680154 1022063429 /nfs/dbraw/zinc/06/34/29/1022063429.db2.gz ZSLOCFBAXSGIPN-UHFFFAOYSA-N -1 0 328.507 3.554 20 0 EHADRM Cc1sc2c(cccc2C)c1S(=O)(=O)[N-]c1c[nH]nc1C1CC1 ZINC000574339491 1033026939 /nfs/dbraw/zinc/02/69/39/1033026939.db2.gz HVXOFAVCDOFSRP-UHFFFAOYSA-N -1 0 347.465 3.919 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000440411260 1022171736 /nfs/dbraw/zinc/17/17/36/1022171736.db2.gz YSLYVHHCCCBUHR-HNNXBMFYSA-N -1 0 349.459 3.826 20 0 EHADRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000048961842 1022422052 /nfs/dbraw/zinc/42/20/52/1022422052.db2.gz JZUQLJAFKWQBIY-UHFFFAOYSA-N -1 0 338.237 3.864 20 0 EHADRM Cc1nc2ccccc2n1CCCN=c1[n-]nc(-c2ccccc2)s1 ZINC000517579265 1022454044 /nfs/dbraw/zinc/45/40/44/1022454044.db2.gz DNLFKNTVONMMEA-UHFFFAOYSA-N -1 0 349.463 3.787 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)[C@@H]3CC[C@H](C(=O)[O-])C3)cc2)cs1 ZINC000262046235 1022587011 /nfs/dbraw/zinc/58/70/11/1022587011.db2.gz UMXWXEPTOUBLEE-OLZOCXBDSA-N -1 0 330.409 3.558 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1cccc(-c2ncco2)c1 ZINC000188486938 1022597299 /nfs/dbraw/zinc/59/72/99/1022597299.db2.gz CTTSPLOVIDOWDH-UHFFFAOYSA-N -1 0 346.433 3.864 20 0 EHADRM CCc1nc([N-]S(=O)(=O)c2cc(C)c(Cl)s2)sc1C ZINC000473759223 1022677184 /nfs/dbraw/zinc/67/71/84/1022677184.db2.gz FNSVUPHZFVCDHE-UHFFFAOYSA-N -1 0 336.891 3.838 20 0 EHADRM Cc1occc1S([O-])=CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000471865027 1022712654 /nfs/dbraw/zinc/71/26/54/1022712654.db2.gz VSDKJESDAMIJIO-BSEYFRJRSA-N -1 0 345.464 3.523 20 0 EHADRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c1C ZINC000331089937 1022750208 /nfs/dbraw/zinc/75/02/08/1022750208.db2.gz GYDGAXDVQQHIRH-LLVKDONJSA-N -1 0 341.864 3.925 20 0 EHADRM O[C@H](CSc1n[n-]c(=NCc2ccccc2)s1)C1CCCCC1 ZINC000473792995 1022791336 /nfs/dbraw/zinc/79/13/36/1022791336.db2.gz QVCRXTNSZNGGFB-OAHLLOKOSA-N -1 0 349.525 3.605 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)N[C@H](CC)c1cccc(Cl)c1 ZINC000517876899 1022795992 /nfs/dbraw/zinc/79/59/92/1022795992.db2.gz PLZKULNTPWWGRI-BXUZGUMPSA-N -1 0 326.824 3.686 20 0 EHADRM Cc1nc(CNCc2cc3cc(C)c(C)cc3o2)sc1C(=O)[O-] ZINC000426671096 1022803832 /nfs/dbraw/zinc/80/38/32/1022803832.db2.gz KCCCCSNEOUUBGS-UHFFFAOYSA-N -1 0 330.409 3.803 20 0 EHADRM O[C@@H](CSc1n[n-]c(=NCc2ccccc2)s1)CC1CCCC1 ZINC000473793937 1022821194 /nfs/dbraw/zinc/82/11/94/1022821194.db2.gz ZAAJKHFJYFDWER-OAHLLOKOSA-N -1 0 349.525 3.605 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1Nc1ccccc1C(=O)NC(C)(C)C ZINC001211622603 1033084810 /nfs/dbraw/zinc/08/48/10/1033084810.db2.gz IMJZUPFRFHXILY-UHFFFAOYSA-N -1 0 326.396 3.965 20 0 EHADRM Cc1c(CN(C)C(=O)c2cc(Cl)c3ccccc3c2[O-])cnn1C ZINC000548397909 1022873530 /nfs/dbraw/zinc/87/35/30/1022873530.db2.gz CRFIYFAPYHKSCV-UHFFFAOYSA-N -1 0 343.814 3.513 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)N(C)[C@H](C)C2CCC2)s[n-]1 ZINC000473831344 1022914725 /nfs/dbraw/zinc/91/47/25/1022914725.db2.gz SNDCVJZTLBVIEL-SNVBAGLBSA-N -1 0 336.486 3.649 20 0 EHADRM COc1cc(F)ccc1NC(=O)c1cccc(Br)c1[O-] ZINC000518047286 1022945262 /nfs/dbraw/zinc/94/52/62/1022945262.db2.gz LXLMOQJROYFDKA-UHFFFAOYSA-N -1 0 340.148 3.555 20 0 EHADRM O=S(=O)([N-]c1nc2ccc(Cl)cc2s1)c1ccsc1 ZINC000506863748 1022966568 /nfs/dbraw/zinc/96/65/68/1022966568.db2.gz XQLITIBCIUPODD-UHFFFAOYSA-N -1 0 330.843 3.812 20 0 EHADRM O=C([O-])c1coc(CNCc2ccc(-c3c(F)cccc3F)o2)c1 ZINC000426716593 1022984588 /nfs/dbraw/zinc/98/45/88/1022984588.db2.gz WPANLVZRUDEGAY-UHFFFAOYSA-N -1 0 333.290 3.806 20 0 EHADRM Cc1cccc([C@H](NCc2nc3c(s2)C[C@@H](C)CC3)C(=O)[O-])c1C ZINC000426729636 1022997989 /nfs/dbraw/zinc/99/79/89/1022997989.db2.gz FLIRRQLQYHMJRW-VOJFVSQTSA-N -1 0 344.480 3.800 20 0 EHADRM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccsc1 ZINC000089750357 1023009443 /nfs/dbraw/zinc/00/94/43/1023009443.db2.gz BEEFVJPMILFDNF-UHFFFAOYSA-N -1 0 332.244 3.620 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2-c2cn[nH]c2)sc1C ZINC000438806531 1023018673 /nfs/dbraw/zinc/01/86/73/1023018673.db2.gz FGZVARUNFYKCOV-UHFFFAOYSA-N -1 0 333.438 3.556 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])[NH2+]Cc2ccc3ncccc3c2)c1 ZINC000426772829 1023034922 /nfs/dbraw/zinc/03/49/22/1023034922.db2.gz LWSWWEBACSVWMD-IBGZPJMESA-N -1 0 336.391 3.549 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])[NH2+]Cc2cc3ccc(F)cc3[nH]2)c1 ZINC000426772898 1023035464 /nfs/dbraw/zinc/03/54/64/1023035464.db2.gz MHPLVRQGQUIZGT-KRWDZBQOSA-N -1 0 342.370 3.621 20 0 EHADRM Cc1cc(C(=O)N=c2[n-]nc(-c3cc(F)ccc3C)s2)oc1C ZINC000548417122 1023050271 /nfs/dbraw/zinc/05/02/71/1023050271.db2.gz XHQVTPJSUSKCAT-UHFFFAOYSA-N -1 0 331.372 3.537 20 0 EHADRM CCC[C@H]1[C@H](C)CCCN1C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000074118410 1023052344 /nfs/dbraw/zinc/05/23/44/1023052344.db2.gz YMINOOLYMVLIOI-QAPCUYQASA-N -1 0 341.455 3.515 20 0 EHADRM CCc1ccc(-c2ccc(CN[C@@H](Cc3ccco3)C(=O)[O-])o2)cc1 ZINC000426812280 1023061610 /nfs/dbraw/zinc/06/16/10/1023061610.db2.gz XRKTXLYLCNMSEG-SFHVURJKSA-N -1 0 339.391 3.888 20 0 EHADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000430976575 1023062384 /nfs/dbraw/zinc/06/23/84/1023062384.db2.gz SLMUAEUISSWDFE-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM CCc1ccc([C@@H](NCc2cc3cc(OC)ccc3o2)C(=O)[O-])cc1 ZINC000426823403 1023068528 /nfs/dbraw/zinc/06/85/28/1023068528.db2.gz IYYNGUZFIZPZLT-LJQANCHMSA-N -1 0 339.391 3.919 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1cccc3ccccc31)CC2 ZINC000165251239 1033102885 /nfs/dbraw/zinc/10/28/85/1033102885.db2.gz BPHGWKDFFAXEPK-UHFFFAOYSA-N -1 0 331.371 3.737 20 0 EHADRM CCCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000506995354 1023068852 /nfs/dbraw/zinc/06/88/52/1023068852.db2.gz QKHJAGCFZYNGNV-UHFFFAOYSA-N -1 0 331.846 3.991 20 0 EHADRM CC(C)(C)c1cc(CS(=O)(=O)Nc2ccc(Cl)cc2)no1 ZINC000430988211 1023092915 /nfs/dbraw/zinc/09/29/15/1023092915.db2.gz NFGBPHNTZCVNNS-UHFFFAOYSA-N -1 0 328.821 3.567 20 0 EHADRM Cc1ccc(-c2ncccc2[N-]S(=O)(=O)c2cccs2)s1 ZINC000189746911 1023096528 /nfs/dbraw/zinc/09/65/28/1023096528.db2.gz CBLAMGKIBKVTPR-UHFFFAOYSA-N -1 0 336.463 3.981 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)Nc2ccccc2F)n1 ZINC000438902191 1023132903 /nfs/dbraw/zinc/13/29/03/1023132903.db2.gz FDOVDNKBRHLNHX-UHFFFAOYSA-N -1 0 325.343 3.532 20 0 EHADRM CCCCCC[C@@](C)(NC(=O)[C@H]1CCC(=O)c2ccccc21)C(=O)[O-] ZINC000909430216 1023136998 /nfs/dbraw/zinc/13/69/98/1023136998.db2.gz DKEDSQXJKUDVKU-OXJNMPFZSA-N -1 0 345.439 3.677 20 0 EHADRM O=C(NCc1cccc2ccccc21)c1nn(-c2ccccc2)cc1[O-] ZINC000438939158 1023154333 /nfs/dbraw/zinc/15/43/33/1023154333.db2.gz QWSKCZAYFARNLP-UHFFFAOYSA-N -1 0 343.386 3.661 20 0 EHADRM Cc1nc(C)c(-c2csc(NC(=O)c3ncc(C)cc3[O-])n2)s1 ZINC000426997497 1023158674 /nfs/dbraw/zinc/15/86/74/1023158674.db2.gz LNBTYKYBAHKKPO-UHFFFAOYSA-N -1 0 346.437 3.545 20 0 EHADRM CC(C)Oc1ncccc1CN=c1[n-]c(-c2cccc(Cl)c2)no1 ZINC000593991477 1033116024 /nfs/dbraw/zinc/11/60/24/1033116024.db2.gz UOWBASCZHCZAPM-UHFFFAOYSA-N -1 0 344.802 3.606 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3C[C@H](C)CC[C@@H]3C)n2)cc1 ZINC000439091600 1023266801 /nfs/dbraw/zinc/26/68/01/1023266801.db2.gz NGTJCINSUYLSJJ-CABCVRRESA-N -1 0 341.455 3.962 20 0 EHADRM Cc1ccc(-n2[n-]nnc2=N[C@H](C)c2ccc(C(F)(F)F)cc2)cc1 ZINC000510852613 1023290003 /nfs/dbraw/zinc/29/00/03/1023290003.db2.gz ORSDQOUMCRSBRK-GFCCVEGCSA-N -1 0 347.344 3.585 20 0 EHADRM O=C([O-])[C@H](CC(=O)NCc1cc2c(s1)CCCC2)c1ccccc1 ZINC000614570679 1023294450 /nfs/dbraw/zinc/29/44/50/1023294450.db2.gz JLJYXHJZBVLTQQ-MRXNPFEDSA-N -1 0 343.448 3.502 20 0 EHADRM CN(CCCC1c2ccccc2C=Cc2ccccc21)C(=O)C(=O)[O-] ZINC001143413527 1023302646 /nfs/dbraw/zinc/30/26/46/1023302646.db2.gz UKJLQABTVIQAPS-UHFFFAOYSA-N -1 0 335.403 3.626 20 0 EHADRM O=C(Nc1ccnc(Sc2ccccn2)c1)c1cccc(F)c1[O-] ZINC001125550624 1023307387 /nfs/dbraw/zinc/30/73/87/1023307387.db2.gz QBGGEUQDRAQKLN-UHFFFAOYSA-N -1 0 341.367 3.725 20 0 EHADRM O=C([O-])c1cc(/C=C\c2cnn(CC(F)F)c2)nc2ccccc21 ZINC000431160440 1023357285 /nfs/dbraw/zinc/35/72/85/1023357285.db2.gz KYGZXBVQSCVMBJ-WAYWQWQTSA-N -1 0 329.306 3.565 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])[NH2+]Cc2ccc(OC(C)C)cc2)c1 ZINC000276938068 1023422999 /nfs/dbraw/zinc/42/29/99/1023422999.db2.gz ABRXTVJMSIDCRQ-LJQANCHMSA-N -1 0 343.423 3.788 20 0 EHADRM CC(C)Oc1ccccc1[C@H](C)N=c1[n-]nc(C(F)(F)F)s1 ZINC000548481226 1023458602 /nfs/dbraw/zinc/45/86/02/1023458602.db2.gz DUMFIQZFRRHSEA-VIFPVBQESA-N -1 0 331.363 3.939 20 0 EHADRM CN(CCC/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000022769795 1023619555 /nfs/dbraw/zinc/61/95/55/1023619555.db2.gz NKTLOUSHBOIUBK-XDHOZWIPSA-N -1 0 347.802 3.899 20 0 EHADRM Cc1nc(CC[NH2+]Cc2ccc(Cl)cc2Cl)sc1C(=O)[O-] ZINC000277107066 1023767781 /nfs/dbraw/zinc/76/77/81/1023767781.db2.gz ZPXBDZUBZNCJPM-UHFFFAOYSA-N -1 0 345.251 3.789 20 0 EHADRM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2ccc(F)cn2)c1Cl ZINC000598371380 1033164833 /nfs/dbraw/zinc/16/48/33/1033164833.db2.gz UWNWQQMDCYNNCG-UHFFFAOYSA-N -1 0 349.214 3.945 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000537475918 1033177058 /nfs/dbraw/zinc/17/70/58/1033177058.db2.gz SACLMSGVVXPUNX-OAHLLOKOSA-N -1 0 349.496 3.850 20 0 EHADRM CC(C)(C)CC(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000236572848 1023997336 /nfs/dbraw/zinc/99/73/36/1023997336.db2.gz BYHUDFIQIMLYAM-UHFFFAOYSA-N -1 0 331.334 3.555 20 0 EHADRM C[C@@H](CSc1n[n-]c(=N)n1C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000443469609 1024010125 /nfs/dbraw/zinc/01/01/25/1024010125.db2.gz RSYCSRFDRPBGHU-VIFPVBQESA-N -1 0 342.390 3.940 20 0 EHADRM O=C(NC[C@@H]1SCCc2ccccc21)c1cccc(Cl)c1[O-] ZINC001126544351 1024010566 /nfs/dbraw/zinc/01/05/66/1024010566.db2.gz OXTDIJXUCWHXNH-HNNXBMFYSA-N -1 0 333.840 3.806 20 0 EHADRM O=C(NCCCNc1cccc(F)c1)c1cc(F)c([O-])c(Cl)c1 ZINC000192477767 1024027983 /nfs/dbraw/zinc/02/79/83/1024027983.db2.gz WXXVZRREONPXRR-UHFFFAOYSA-N -1 0 340.757 3.556 20 0 EHADRM CC(C)c1cc(C(=O)N=c2ccc(C3CC3)n[n-]2)c2ccccc2n1 ZINC000522539968 1024051082 /nfs/dbraw/zinc/05/10/82/1024051082.db2.gz QDZUTJKAKQATSV-UHFFFAOYSA-N -1 0 332.407 3.700 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CCC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)o1 ZINC000392242282 1024076277 /nfs/dbraw/zinc/07/62/77/1024076277.db2.gz LNKDAQITNGDSDC-CXAGYDPISA-N -1 0 341.407 3.692 20 0 EHADRM Cc1cc(Sc2n[n-]c(=Nc3ccccc3)s2)nc(C2CC2)n1 ZINC000522570869 1024081889 /nfs/dbraw/zinc/08/18/89/1024081889.db2.gz NPKJUBJLJKCVJO-UHFFFAOYSA-N -1 0 341.465 3.831 20 0 EHADRM C[C@H](Oc1ccccc1-c1ccc(NC(=O)C(C)(C)C)nc1)C(=O)[O-] ZINC000657204914 1024088622 /nfs/dbraw/zinc/08/86/22/1024088622.db2.gz BWSHHKFGNZZCFI-LBPRGKRZSA-N -1 0 342.395 3.585 20 0 EHADRM CCS(=O)(=O)c1ccc(-c2cccc(C(C)C)c2)c(C(=O)[O-])c1 ZINC000657204728 1024088695 /nfs/dbraw/zinc/08/86/95/1024088695.db2.gz QNOFPGOCKJEDJP-UHFFFAOYSA-N -1 0 332.421 3.969 20 0 EHADRM Cn1nc(C(F)(F)F)cc1-c1ccc(Cl)cc1CCC(=O)[O-] ZINC000657205647 1024095436 /nfs/dbraw/zinc/09/54/36/1024095436.db2.gz BYDZDBKEIRAMBP-UHFFFAOYSA-N -1 0 332.709 3.777 20 0 EHADRM COCCCOc1ccc(-c2nc(C(=O)[O-])c(Cl)s2)cc1 ZINC000657207111 1024114758 /nfs/dbraw/zinc/11/47/58/1024114758.db2.gz IBEJPPOGZVEVBO-UHFFFAOYSA-N -1 0 327.789 3.577 20 0 EHADRM Cc1cccc(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)c1C ZINC000191539529 1024118861 /nfs/dbraw/zinc/11/88/61/1024118861.db2.gz WTYLHBYQQSETQE-QGZVFWFLSA-N -1 0 325.408 3.509 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2sc(C)nc2CC(C)C)c(C)o1 ZINC000182817361 1024137444 /nfs/dbraw/zinc/13/74/44/1024137444.db2.gz HNKUNXIUUDEOQB-UHFFFAOYSA-N -1 0 328.459 3.661 20 0 EHADRM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000520588683 1024168603 /nfs/dbraw/zinc/16/86/03/1024168603.db2.gz WRAJJQTUIFEDPQ-OILHFSCHSA-N -1 0 347.430 3.846 20 0 EHADRM Cc1ccccc1[C@H]1CCN(C(=O)CC2CCC(C(=O)[O-])CC2)C1 ZINC000520588591 1024168769 /nfs/dbraw/zinc/16/87/69/1024168769.db2.gz TURPVQROAYZPAP-JCYILVPMSA-N -1 0 329.440 3.592 20 0 EHADRM Cc1cccc(F)c1NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC000181673867 1024182613 /nfs/dbraw/zinc/18/26/13/1024182613.db2.gz YIQPMILAUOGNDA-UHFFFAOYSA-N -1 0 343.333 3.725 20 0 EHADRM O=S(=O)([N-]c1nc2ccccc2[nH]1)c1cc(Cl)cc(Cl)c1 ZINC000033643577 1024188000 /nfs/dbraw/zinc/18/80/00/1024188000.db2.gz DBGDWFXBUWNOEP-UHFFFAOYSA-N -1 0 342.207 3.671 20 0 EHADRM C[C@@H]1CCc2c(C(=O)N3[C@@H]4CCCC[C@H]4C[C@H]3C(=O)[O-])csc2C1 ZINC000324099025 1024199689 /nfs/dbraw/zinc/19/96/89/1024199689.db2.gz LAKAOKUEWANLQW-KOZAUXTDSA-N -1 0 347.480 3.731 20 0 EHADRM COc1ccc(N(C(=O)c2cc(F)ccc2O)[C@@H](C)C2CC2)cc1 ZINC000094076746 1024200971 /nfs/dbraw/zinc/20/09/71/1024200971.db2.gz QZIRBLNBIVRJAX-LBPRGKRZSA-N -1 0 329.371 3.985 20 0 EHADRM CC[C@@H](C)c1cc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)on1 ZINC000191409779 1024298668 /nfs/dbraw/zinc/29/86/68/1024298668.db2.gz SUXLXGFCRFSVRV-VXGBXAGGSA-N -1 0 330.384 3.704 20 0 EHADRM COC(=O)c1cc(C)ccc1NC(=O)c1cc(O)c2ccccc2c1 ZINC000472031997 1024401683 /nfs/dbraw/zinc/40/16/83/1024401683.db2.gz MWCBSVZUTNBQSE-UHFFFAOYSA-N -1 0 335.359 3.893 20 0 EHADRM CCN(C(=O)N(Cc1cccc(F)c1)[C@@H](C(=O)[O-])C(C)C)C(C)C ZINC000548552222 1024411830 /nfs/dbraw/zinc/41/18/30/1024411830.db2.gz SVLPBIBUHGQYHE-MRXNPFEDSA-N -1 0 338.423 3.587 20 0 EHADRM CCC(CC)c1n[n-]c(=NCc2ccc(-n3cccn3)cc2)s1 ZINC000346120403 1024420381 /nfs/dbraw/zinc/42/03/81/1024420381.db2.gz OKALLULHUSLADI-UHFFFAOYSA-N -1 0 327.457 3.661 20 0 EHADRM CC(C)c1nc(/C=C/c2cc(-n3ccnc3)cs2)ncc1C(=O)[O-] ZINC000342221150 1024455426 /nfs/dbraw/zinc/45/54/26/1024455426.db2.gz LFPXBYUAGAUJON-ONEGZZNKSA-N -1 0 340.408 3.716 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2CCC[C@@H](F)C2)cc1 ZINC000425229068 1024465256 /nfs/dbraw/zinc/46/52/56/1024465256.db2.gz AYCFLHCKMGNHFV-NFAWXSAZSA-N -1 0 339.432 3.569 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2sccc2C)c(OC)cc1Cl ZINC000607611128 1033214054 /nfs/dbraw/zinc/21/40/54/1033214054.db2.gz IGCLWZWEWOMSQW-UHFFFAOYSA-N -1 0 347.845 3.528 20 0 EHADRM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000033870337 1024495575 /nfs/dbraw/zinc/49/55/75/1024495575.db2.gz PYRNRMHEQONCEU-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)c2cc(C)n([C@H](C)C3CC3)n2)s1 ZINC000346210688 1024501538 /nfs/dbraw/zinc/50/15/38/1024501538.db2.gz UYUSRBIBEBEDAF-LLVKDONJSA-N -1 0 347.488 3.592 20 0 EHADRM FC(F)c1n[n-]c(=N[C@@H]2CCOc3c(Cl)c(Cl)ccc32)o1 ZINC000366611236 1024523525 /nfs/dbraw/zinc/52/35/25/1024523525.db2.gz LWHNZWYVHFWGFO-SSDOTTSWSA-N -1 0 336.125 3.672 20 0 EHADRM Cc1ccc(/C=C2\CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)cc1C ZINC000514572129 1024559858 /nfs/dbraw/zinc/55/98/58/1024559858.db2.gz VGTVNSLSAVKTOS-XNTDXEJSSA-N -1 0 346.386 3.656 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)NCC(C)(C)C)s1)c1ccccc1 ZINC000520740221 1024583702 /nfs/dbraw/zinc/58/37/02/1024583702.db2.gz FEUSHGNRLDVDEF-CYBMUJFWSA-N -1 0 332.473 3.670 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)s1 ZINC000435078660 1024605980 /nfs/dbraw/zinc/60/59/80/1024605980.db2.gz JBLAYNJTIMCNIG-UKRRQHHQSA-N -1 0 344.484 3.713 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)s1 ZINC000435077692 1024606086 /nfs/dbraw/zinc/60/60/86/1024606086.db2.gz DALKZLVTBRYVRD-UKRRQHHQSA-N -1 0 344.484 3.568 20 0 EHADRM c1ccc(-c2n[n-]c(=NCCCc3nc4ccccc4[nH]3)s2)cc1 ZINC000536391512 1024612492 /nfs/dbraw/zinc/61/24/92/1024612492.db2.gz WUGSAZWMRMLWBP-UHFFFAOYSA-N -1 0 335.436 3.548 20 0 EHADRM CSCc1ccc(CNC(=O)CC2(C(=O)[O-])CCCCC2)cc1 ZINC000514621624 1024614078 /nfs/dbraw/zinc/61/40/78/1024614078.db2.gz LLKGBMYECZCUHY-UHFFFAOYSA-N -1 0 335.469 3.591 20 0 EHADRM COCc1cc(NC(=O)c2ccc(C)c(Cl)c2)cc(C(=O)[O-])c1 ZINC000427669467 1024716856 /nfs/dbraw/zinc/71/68/56/1024716856.db2.gz ZOFAIFADYMUGRF-UHFFFAOYSA-N -1 0 333.771 3.745 20 0 EHADRM COCc1cc(NC(=O)[C@@H](C)Sc2ccccc2)cc(C(=O)[O-])c1 ZINC000427691641 1024737426 /nfs/dbraw/zinc/73/74/26/1024737426.db2.gz VUPNCEUAFHRKTB-GFCCVEGCSA-N -1 0 345.420 3.651 20 0 EHADRM CN(C)[C@H](CN=c1[n-]c(-c2cccc(Cl)c2)no1)c1cccs1 ZINC000507953663 1024782904 /nfs/dbraw/zinc/78/29/04/1024782904.db2.gz IMMLAHWQBBYBTK-CYBMUJFWSA-N -1 0 348.859 3.588 20 0 EHADRM CC(C)n1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)n1 ZINC000281269823 1024828677 /nfs/dbraw/zinc/82/86/77/1024828677.db2.gz WXPRSGZFUBORHC-UHFFFAOYSA-N -1 0 334.228 3.572 20 0 EHADRM Nc1c(Cl)ccc(C(=O)NCCCCCCCC(=O)[O-])c1Cl ZINC000909466101 1024949297 /nfs/dbraw/zinc/94/92/97/1024949297.db2.gz IETFGAKRYYMGHE-UHFFFAOYSA-N -1 0 347.242 3.731 20 0 EHADRM O=S(=O)([N-]c1cc(C2CCCCC2)[nH]n1)c1cc(F)ccc1F ZINC000474426967 1024949752 /nfs/dbraw/zinc/94/97/52/1024949752.db2.gz NJXYPPJZGDPPOM-UHFFFAOYSA-N -1 0 341.383 3.536 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1 ZINC000327471878 1024955181 /nfs/dbraw/zinc/95/51/81/1024955181.db2.gz GLEWUYQAXRIHPD-GOSISDBHSA-N -1 0 337.419 3.808 20 0 EHADRM O=S(=O)([N-]c1noc2ccccc21)c1csc2ccccc12 ZINC000508213529 1024965256 /nfs/dbraw/zinc/96/52/56/1024965256.db2.gz HPILJGUSUQUUSS-UHFFFAOYSA-N -1 0 330.390 3.843 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(C3CCCCC3)[nH]n2)ccc1F ZINC000474435232 1024969237 /nfs/dbraw/zinc/96/92/37/1024969237.db2.gz SLXDACFYPKGJEZ-UHFFFAOYSA-N -1 0 337.420 3.706 20 0 EHADRM COc1cccc(SCC(=O)Nc2cc(F)cc(Cl)c2[O-])c1 ZINC000474438030 1024972047 /nfs/dbraw/zinc/97/20/47/1024972047.db2.gz ICTIAYVVLIJRFE-UHFFFAOYSA-N -1 0 341.791 3.924 20 0 EHADRM CCc1ncc(C([O-])=C(C#N)C(=O)c2c(C)[nH]c3ccccc32)s1 ZINC000121751084 1024996820 /nfs/dbraw/zinc/99/68/20/1024996820.db2.gz BFQUMRYOVXWLFU-LBPRGKRZSA-N -1 0 337.404 3.701 20 0 EHADRM Cc1[nH]nc(C(=O)N(C)[C@@H](C)c2ccc(Cl)c(Cl)c2)c1[O-] ZINC001141521534 1025023617 /nfs/dbraw/zinc/02/36/17/1025023617.db2.gz GTJZSEZHINHJSR-QMMMGPOBSA-N -1 0 328.199 3.564 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1cccc(-c2ccoc2)c1)Cc1ccccc1 ZINC000190954621 1025147299 /nfs/dbraw/zinc/14/72/99/1025147299.db2.gz PGALDZSNANVTPT-LJQANCHMSA-N -1 0 349.386 3.620 20 0 EHADRM COc1ccc(-n2ncc(C)c2Nc2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001211539140 1025168111 /nfs/dbraw/zinc/16/81/11/1025168111.db2.gz HYCZDDNLHUAMDZ-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)N=c1nc([C@H](C)OC)[n-]s1 ZINC000511066934 1025173803 /nfs/dbraw/zinc/17/38/03/1025173803.db2.gz ZRHYOJMBBWYOQY-WCQYABFASA-N -1 0 325.478 3.603 20 0 EHADRM CC(C)c1cccc(NC(=O)N(CC(=O)[O-])Cc2ccccc2)c1 ZINC000684742214 1025186850 /nfs/dbraw/zinc/18/68/50/1025186850.db2.gz PUDFHLKWYNCUJT-UHFFFAOYSA-N -1 0 326.396 3.929 20 0 EHADRM CC(C)c1n[n-]c(=NCc2cc(F)c(C(F)(F)F)cc2F)s1 ZINC000515398182 1025211567 /nfs/dbraw/zinc/21/15/67/1025211567.db2.gz NXWHKRCJWMXPAZ-UHFFFAOYSA-N -1 0 337.317 3.993 20 0 EHADRM O=C(Nc1nc(-c2cccc(O)c2)cs1)c1ccc(F)cc1[O-] ZINC000442263407 1025230991 /nfs/dbraw/zinc/23/09/91/1025230991.db2.gz DAPVVDIYMJUNLP-UHFFFAOYSA-N -1 0 330.340 3.613 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)N(CC(=O)[O-])C2CCCCC2)c1 ZINC000684747442 1025237883 /nfs/dbraw/zinc/23/78/83/1025237883.db2.gz HLHHHAIPGAIHGP-ZDUSSCGKSA-N -1 0 334.416 3.645 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)N2CCCCC[C@H]2C(=O)[O-])cc1 ZINC000684748593 1025257540 /nfs/dbraw/zinc/25/75/40/1025257540.db2.gz OAPCNVSZAYSYBJ-KRWDZBQOSA-N -1 0 348.443 3.973 20 0 EHADRM CCC(CC)[C@H](NC(=O)N=c1[n-]nc2ccccn21)c1cccs1 ZINC000522776166 1025261754 /nfs/dbraw/zinc/26/17/54/1025261754.db2.gz LIQZRFGIMZQDBN-HNNXBMFYSA-N -1 0 343.456 3.512 20 0 EHADRM CCCc1n[n-]c(=NC(=O)NCc2cccc(Cl)c2Cl)s1 ZINC000521196320 1025269479 /nfs/dbraw/zinc/26/94/79/1025269479.db2.gz AXZFHWDNQMVFMK-UHFFFAOYSA-N -1 0 345.255 3.541 20 0 EHADRM CC(C)(C)c1ccc(C2(CNC(=O)N=c3[n-]ncs3)CCC2)cc1 ZINC000522779637 1025281428 /nfs/dbraw/zinc/28/14/28/1025281428.db2.gz XDUUQHHMUHDUDB-UHFFFAOYSA-N -1 0 344.484 3.501 20 0 EHADRM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccccc2SC)n[nH]1 ZINC000436020135 1025319209 /nfs/dbraw/zinc/31/92/09/1025319209.db2.gz JERPMGDALPTBPX-NSHDSACASA-N -1 0 339.486 3.836 20 0 EHADRM CO[C@H](C)c1nc(=NC(=O)[C@H](C)c2ccc3ccccc3c2)s[n-]1 ZINC000511080369 1025382295 /nfs/dbraw/zinc/38/22/95/1025382295.db2.gz OJXMCOWIGWDPEF-VXGBXAGGSA-N -1 0 341.436 3.563 20 0 EHADRM CC[C@@H](CNC(=O)N=c1[n-]nc(C(C)(C)C)s1)c1ccccc1 ZINC000521453128 1025401305 /nfs/dbraw/zinc/40/13/05/1025401305.db2.gz CTQJCYZUSKNTKM-LBPRGKRZSA-N -1 0 332.473 3.573 20 0 EHADRM CN(Cc1ccc(Br)o1)C(=O)c1ccc([O-])c(Cl)c1 ZINC000041396248 1025438798 /nfs/dbraw/zinc/43/87/98/1025438798.db2.gz LEQZJXIZLXECDA-UHFFFAOYSA-N -1 0 344.592 3.673 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2cnn(CCC)c2C2CC2)cc1 ZINC000451094822 1025538134 /nfs/dbraw/zinc/53/81/34/1025538134.db2.gz QZFGACZXXATDAC-UHFFFAOYSA-N -1 0 347.484 3.924 20 0 EHADRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1scnc1C(C)C ZINC000451102019 1025562390 /nfs/dbraw/zinc/56/23/90/1025562390.db2.gz HCJYEXHWKAQNGQ-UHFFFAOYSA-N -1 0 346.861 3.729 20 0 EHADRM CC(C)c1ncsc1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000451101863 1025562835 /nfs/dbraw/zinc/56/28/35/1025562835.db2.gz GSZUNVBXJMTLRR-UHFFFAOYSA-N -1 0 348.396 3.669 20 0 EHADRM Cc1c(Cl)cccc1N=c1[n-]nc(SCCC2(O)CC2)s1 ZINC000442912239 1025579036 /nfs/dbraw/zinc/57/90/36/1025579036.db2.gz LYJMPKIXBREDNH-UHFFFAOYSA-N -1 0 341.889 3.673 20 0 EHADRM O=C([O-])c1ccoc1CN(CCC(F)(F)F)Cc1ccccc1 ZINC000563285092 1025607837 /nfs/dbraw/zinc/60/78/37/1025607837.db2.gz XQWFNTZGRQFAAR-UHFFFAOYSA-N -1 0 327.302 3.932 20 0 EHADRM CC[C@H](NC(=O)NC[C@@H](C(=O)[O-])C1CCC1)c1ccc(Cl)cc1 ZINC000665301928 1025642325 /nfs/dbraw/zinc/64/23/25/1025642325.db2.gz ILFILOYGVQLWQI-CABCVRRESA-N -1 0 338.835 3.591 20 0 EHADRM CC(C)c1ccc(C(=O)N2CCCC[C@@H]2c2n[nH]c(=O)[n-]2)cc1Cl ZINC000329182686 1025651649 /nfs/dbraw/zinc/65/16/49/1025651649.db2.gz OQCYGQYJRCBSDT-CQSZACIVSA-N -1 0 348.834 3.655 20 0 EHADRM CC[C@](C)([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C(F)(F)F ZINC000530387615 1025736451 /nfs/dbraw/zinc/73/64/51/1025736451.db2.gz LTZNMQPKXWVUGP-VIFPVBQESA-N -1 0 335.800 3.719 20 0 EHADRM Cn1ccc2ccc(NC(=O)N=c3nc(-c4ccccc4)[n-]s3)cc21 ZINC000443143438 1025750427 /nfs/dbraw/zinc/75/04/27/1025750427.db2.gz CJIKBAZSLSBZSH-UHFFFAOYSA-N -1 0 349.419 3.763 20 0 EHADRM CCCC[C@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000347264267 1025780958 /nfs/dbraw/zinc/78/09/58/1025780958.db2.gz SHLCYPBVTQFJOB-ONGXEEELSA-N -1 0 348.226 3.520 20 0 EHADRM C[C@H](c1ccc(C(=O)N2CCCC[C@H]2CC(=O)[O-])cc1)C(F)(F)F ZINC000909497288 1025781292 /nfs/dbraw/zinc/78/12/92/1025781292.db2.gz CTDDKVDGQNNCOA-RISCZKNCSA-N -1 0 343.345 3.822 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])[C@H]1CCN(c2ccccc2F)C1 ZINC000521945804 1025816356 /nfs/dbraw/zinc/81/63/56/1025816356.db2.gz KLCNTZZHAYZXCB-NSHDSACASA-N -1 0 334.778 3.650 20 0 EHADRM CC(C)(C)c1ccc(CN=c2[n-]nc(CC(F)(F)F)s2)cc1 ZINC000475058423 1025869624 /nfs/dbraw/zinc/86/96/24/1025869624.db2.gz WDPKBZZXLRQJPH-UHFFFAOYSA-N -1 0 329.391 3.974 20 0 EHADRM CC1(C)[C@H](NC(=O)c2cc(Cl)c3ccccc3c2[O-])[C@H]2CCO[C@H]21 ZINC000436560664 1025886119 /nfs/dbraw/zinc/88/61/19/1025886119.db2.gz GEQPMGDPPKLMJE-CSMYWGQOSA-N -1 0 345.826 3.742 20 0 EHADRM CC(C)c1ccc(-c2nc(-c3ncccc3-n3cccn3)no2)c(O)c1 ZINC000436570349 1025898655 /nfs/dbraw/zinc/89/86/55/1025898655.db2.gz PILNYMWFGGEBKC-UHFFFAOYSA-N -1 0 347.378 3.813 20 0 EHADRM CCc1nnc(-c2cccc(NC(=O)c3ccc(C)c(C)c3O)c2)o1 ZINC000436570566 1025899551 /nfs/dbraw/zinc/89/95/51/1025899551.db2.gz AIOSYTFSVKSINE-UHFFFAOYSA-N -1 0 337.379 3.874 20 0 EHADRM CC(C)c1nnc(CNC(=O)c2ccc(Cl)c(Cl)c2[O-])s1 ZINC000436578992 1025919820 /nfs/dbraw/zinc/91/98/20/1025919820.db2.gz XZAQKYJXCGIWNQ-UHFFFAOYSA-N -1 0 346.239 3.604 20 0 EHADRM C[C@]1(c2ccc(F)cc2)CCN(C(=O)c2ccc([O-])c(Cl)c2)C1 ZINC000436612232 1025945366 /nfs/dbraw/zinc/94/53/66/1025945366.db2.gz WUEVMPXDTYIMGZ-SFHVURJKSA-N -1 0 333.790 3.989 20 0 EHADRM COc1c(F)cc(NC(=O)c2cc(F)cc(Cl)c2[O-])cc1F ZINC000436637158 1025966127 /nfs/dbraw/zinc/96/61/27/1025966127.db2.gz ZEAISKDYYDYNHL-UHFFFAOYSA-N -1 0 331.677 3.724 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(-c3cccs3)on2)c1 ZINC000436649141 1025974645 /nfs/dbraw/zinc/97/46/45/1025974645.db2.gz WBOMHTDLOYNMOS-UHFFFAOYSA-N -1 0 342.376 3.954 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)Cc2ccc(F)cc2Cl)c1 ZINC000436652330 1025980221 /nfs/dbraw/zinc/98/02/21/1025980221.db2.gz MBRPAZVFFVNKLJ-UHFFFAOYSA-N -1 0 335.762 3.959 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cnc([C@@H]3CCCO3)s2)c1 ZINC000436652682 1025980707 /nfs/dbraw/zinc/98/07/07/1025980707.db2.gz PTLWYWYMHCAEKA-AWEZNQCLSA-N -1 0 346.408 3.545 20 0 EHADRM O=C(N[C@H](c1c[nH]c2ccccc21)C(F)(F)F)c1ccccc1O ZINC000436655770 1025982919 /nfs/dbraw/zinc/98/29/19/1025982919.db2.gz NHPOKFNSAYEVRV-OAHLLOKOSA-N -1 0 334.297 3.907 20 0 EHADRM CCOc1cccc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)c1 ZINC000443410086 1025990223 /nfs/dbraw/zinc/99/02/23/1025990223.db2.gz MIVVZJNACRSDET-UHFFFAOYSA-N -1 0 347.436 3.675 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C(C)(C)Oc2ccc(F)cc2)c1 ZINC000436645980 1025994712 /nfs/dbraw/zinc/99/47/12/1025994712.db2.gz NHTBDBWTPDDUSP-UHFFFAOYSA-N -1 0 345.370 3.920 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CCCOCc2ccccc2)c1 ZINC000436646405 1025996722 /nfs/dbraw/zinc/99/67/22/1025996722.db2.gz HASGPQOVRYHEFA-UHFFFAOYSA-N -1 0 341.407 3.920 20 0 EHADRM Cc1cc(NC(=O)[C@H]2CCC[C@@H]2C(=O)[O-])ccc1Oc1cccnc1 ZINC000634819646 1025997613 /nfs/dbraw/zinc/99/76/13/1025997613.db2.gz YHUUASKTGFSFON-HOTGVXAUSA-N -1 0 340.379 3.622 20 0 EHADRM CC(C)c1ccc(C(=O)N2CCO[C@@H](c3ccccc3)C2)c(O)c1 ZINC000436662177 1026003175 /nfs/dbraw/zinc/00/31/75/1026003175.db2.gz FSDCZQKUKJJYGT-LJQANCHMSA-N -1 0 325.408 3.729 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N[C@H](C)c2cc3ccccc3o2)s1 ZINC000443413930 1026006994 /nfs/dbraw/zinc/00/69/94/1026006994.db2.gz BFEJXRSVAFUSNJ-LLVKDONJSA-N -1 0 344.440 3.787 20 0 EHADRM CC(C)c1cccnc1[N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000443417304 1026007315 /nfs/dbraw/zinc/00/73/15/1026007315.db2.gz KJSXKCQYVABIIA-UHFFFAOYSA-N -1 0 346.452 3.719 20 0 EHADRM O=c1[n-]c([C@H]2CCCCN2Cc2cc(Cl)ccc2Cl)n[nH]1 ZINC000329564162 1026011982 /nfs/dbraw/zinc/01/19/82/1026011982.db2.gz GXPYJYUCALZFFB-GFCCVEGCSA-N -1 0 327.215 3.544 20 0 EHADRM CCC(CC)(NC(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000342515531 1026020691 /nfs/dbraw/zinc/02/06/91/1026020691.db2.gz ADUOTUZFCRASHT-OLZOCXBDSA-N -1 0 343.345 3.569 20 0 EHADRM O=C([O-])CCc1ccc(Nc2cnc(F)c(Br)c2)cc1 ZINC001213621355 1026025420 /nfs/dbraw/zinc/02/54/20/1026025420.db2.gz TWITTYCPYSUKSA-UHFFFAOYSA-N -1 0 339.164 3.744 20 0 EHADRM CC(C)[C@@H](c1ccccc1)N(C)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000665326180 1026026343 /nfs/dbraw/zinc/02/63/43/1026026343.db2.gz WWGZDXKAIVSYCY-IRXDYDNUSA-N -1 0 332.444 3.526 20 0 EHADRM CCCCOc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c(C)c1 ZINC000608339981 1026036398 /nfs/dbraw/zinc/03/63/98/1026036398.db2.gz XMECORCXVJWJLP-CVEARBPZSA-N -1 0 331.412 3.779 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)CCCCCC1 ZINC000516137708 1026039713 /nfs/dbraw/zinc/03/97/13/1026039713.db2.gz PZHZXQLORREETO-JKSUJKDBSA-N -1 0 333.403 3.613 20 0 EHADRM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000103057856 1026044195 /nfs/dbraw/zinc/04/41/95/1026044195.db2.gz AEUVFBJENRKKLG-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CCc1cccc(Cl)c1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[nH]1 ZINC000443440364 1026044269 /nfs/dbraw/zinc/04/42/69/1026044269.db2.gz IQNGCAYSWDQZHS-CLFYSBASSA-N -1 0 346.814 3.894 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)C(=O)c3ccc(O)cc3)ccc21 ZINC000436690413 1026046605 /nfs/dbraw/zinc/04/66/05/1026046605.db2.gz VGPFQPYYWBZOCR-UHFFFAOYSA-N -1 0 336.391 3.824 20 0 EHADRM O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc([O-])c(Cl)c1 ZINC000158501827 1026050862 /nfs/dbraw/zinc/05/08/62/1026050862.db2.gz PRNZWBGTFBPAFV-PBHICJAKSA-N -1 0 331.799 3.696 20 0 EHADRM Cc1ccc([C@@H](C)N(C)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)c(C)c1 ZINC000665328222 1026054538 /nfs/dbraw/zinc/05/45/38/1026054538.db2.gz GCTYKDBSPJGLEB-RHSMWYFYSA-N -1 0 332.444 3.507 20 0 EHADRM CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000436716082 1026085120 /nfs/dbraw/zinc/08/51/20/1026085120.db2.gz RTQHKASSVNNWII-MGPLVRAMSA-N -1 0 337.778 3.691 20 0 EHADRM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1csc2ccccc12 ZINC000324653809 1026086209 /nfs/dbraw/zinc/08/62/09/1026086209.db2.gz ATYHNYRRFKDODA-INIZCTEOSA-N -1 0 337.400 3.553 20 0 EHADRM C[C@H]1Oc2cc(F)ccc2[C@@H]1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436739601 1026107243 /nfs/dbraw/zinc/10/72/43/1026107243.db2.gz OUMFXWGOHGFRBT-NXSYQRQQSA-N -1 0 339.725 3.576 20 0 EHADRM C[C@@H]1CC(CCNC(=O)c2cc(F)cc(Cl)c2[O-])C[C@@H](C)O1 ZINC000436741131 1026110106 /nfs/dbraw/zinc/11/01/06/1026110106.db2.gz SIUGDRXRPSVNHB-NXEZZACHSA-N -1 0 329.799 3.508 20 0 EHADRM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)CC2(C(=O)[O-])CCC2)o1 ZINC000262423538 1026115919 /nfs/dbraw/zinc/11/59/19/1026115919.db2.gz AZSZEMIPDRCSGG-HIFRSBDPSA-N -1 0 333.428 3.787 20 0 EHADRM O=C(c1cc(Br)c(F)cc1[O-])N(CC1CC1)C1CCC1 ZINC000451576690 1026128061 /nfs/dbraw/zinc/12/80/61/1026128061.db2.gz CHTAJPUVXYAJNC-UHFFFAOYSA-N -1 0 342.208 3.699 20 0 EHADRM COc1ccc(CCNC(=O)c2c([O-])cc(Cl)cc2Cl)cc1 ZINC000436755761 1026146311 /nfs/dbraw/zinc/14/63/11/1026146311.db2.gz NHJIEKYTXGTGQS-UHFFFAOYSA-N -1 0 340.206 3.680 20 0 EHADRM Brc1cccc([C@H]2C[C@H]2N=c2nc(C3CC3)[n-]s2)c1 ZINC000530697089 1026225534 /nfs/dbraw/zinc/22/55/34/1026225534.db2.gz RPFQSBFDHAURMU-VXGBXAGGSA-N -1 0 336.258 3.568 20 0 EHADRM CCC[C@H](CC1CCCCC1)C(=O)N=c1nc([C@H](C)OC)[n-]s1 ZINC000511141240 1026448741 /nfs/dbraw/zinc/44/87/41/1026448741.db2.gz RRSHFEWWINYACT-GXTWGEPZSA-N -1 0 339.505 3.993 20 0 EHADRM CCCN=c1[n-]nc(SCC(=O)c2ccc(F)c(Cl)c2)s1 ZINC000531003871 1026462469 /nfs/dbraw/zinc/46/24/69/1026462469.db2.gz FACAALVJLYTBMD-UHFFFAOYSA-N -1 0 345.852 3.549 20 0 EHADRM CC(C)c1ncc(Cl)c(C(=O)Nc2ccc3[n-]c(=S)oc3c2)n1 ZINC000158429792 1026474804 /nfs/dbraw/zinc/47/48/04/1026474804.db2.gz XEOAFLFMQAAEJV-UHFFFAOYSA-N -1 0 348.815 3.936 20 0 EHADRM Cc1cc(C)c(CNC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)c(C)c1 ZINC000582523714 1026495478 /nfs/dbraw/zinc/49/54/78/1026495478.db2.gz ZOPCTZABZAARPK-SFHVURJKSA-N -1 0 340.423 3.579 20 0 EHADRM CC(C)Cc1nc(=NCc2ccc(OCC(F)(F)F)cc2)s[n-]1 ZINC000475363138 1026516413 /nfs/dbraw/zinc/51/64/13/1026516413.db2.gz SAMIVTMMXZYLJJ-UHFFFAOYSA-N -1 0 345.390 3.712 20 0 EHADRM O=C(Nc1ccc2nc(C3CC3)oc2c1)c1cc(=O)c2ccccc2[n-]1 ZINC000431443580 1026544283 /nfs/dbraw/zinc/54/42/83/1026544283.db2.gz GBPZZDQVPXYNNV-UHFFFAOYSA-N -1 0 345.358 3.799 20 0 EHADRM O=C(CCCc1ccc(O)c(F)c1)NC[C@H]1CCCCC1(F)F ZINC000452309727 1026667904 /nfs/dbraw/zinc/66/79/04/1026667904.db2.gz JGVNAWUCYQXLLW-CYBMUJFWSA-N -1 0 329.362 3.796 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])C1 ZINC000909582281 1026702801 /nfs/dbraw/zinc/70/28/01/1026702801.db2.gz DUOZMWAINNBETG-VWPFQQQWSA-N -1 0 333.403 3.626 20 0 EHADRM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)c2ccoc2CC(=O)[O-])cc1 ZINC000909583649 1026721152 /nfs/dbraw/zinc/72/11/52/1026721152.db2.gz IQIQQGQBLGYXRN-AUUYWEPGSA-N -1 0 341.407 3.829 20 0 EHADRM CC[C@H](NC(=O)N([C@H](C)C(=O)[O-])C1CCC1)c1ccc(Cl)cc1 ZINC000582642879 1026848193 /nfs/dbraw/zinc/84/81/93/1026848193.db2.gz HMSJJPCKTZMVAR-ABAIWWIYSA-N -1 0 338.835 3.828 20 0 EHADRM CCC[C@H](C)[C@H]1CCCN1C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC000909593088 1026888242 /nfs/dbraw/zinc/88/82/42/1026888242.db2.gz SNWQUSIEFCVOCG-SUMWQHHRSA-N -1 0 342.439 3.836 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CC[C@@H](C(C)C)C3)n2)cc1 ZINC000531775036 1027361724 /nfs/dbraw/zinc/36/17/24/1027361724.db2.gz QGDGUNBSWHJQHE-MRXNPFEDSA-N -1 0 341.455 3.819 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)c1 ZINC000414444328 1027384800 /nfs/dbraw/zinc/38/48/00/1027384800.db2.gz KPPGEXUXLNSVBJ-NSHDSACASA-N -1 0 346.452 3.938 20 0 EHADRM Cc1c(Cl)cc([N-]S(=O)(=O)c2cncc(F)c2)cc1Cl ZINC000501804633 1027546417 /nfs/dbraw/zinc/54/64/17/1027546417.db2.gz YZXIAJSYIXYBDQ-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM COc1ccc(Cl)cc1CC(=O)Nc1cc(C)c(C)c(C(=O)[O-])c1 ZINC000392093634 1027581413 /nfs/dbraw/zinc/58/14/13/1027581413.db2.gz LRVUCSSBOIXCER-UHFFFAOYSA-N -1 0 347.798 3.845 20 0 EHADRM O=C([O-])C1(CC(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)CCC1 ZINC000262525636 1027615038 /nfs/dbraw/zinc/61/50/38/1027615038.db2.gz ONXLBWNSUBPQDG-QGZVFWFLSA-N -1 0 327.424 3.700 20 0 EHADRM O=C([O-])c1ccc(CN2CC[C@@](F)(c3cc(F)cc(F)c3)C2)cc1 ZINC000414643515 1027654406 /nfs/dbraw/zinc/65/44/06/1027654406.db2.gz XNXISVLKZCOQSY-SFHVURJKSA-N -1 0 335.325 3.734 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)c(C)s1 ZINC000048230580 1027667584 /nfs/dbraw/zinc/66/75/84/1027667584.db2.gz CYJAVOUUQBRKFB-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM Cc1nc(CCSc2n[n-]c(=NC3CCCCC3)s2)cs1 ZINC000502104707 1027788235 /nfs/dbraw/zinc/78/82/35/1027788235.db2.gz CWAZPHTVOJBUDU-UHFFFAOYSA-N -1 0 340.543 3.804 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC[C@@H]1C(=O)[O-] ZINC000313743580 1027831344 /nfs/dbraw/zinc/83/13/44/1027831344.db2.gz CRBRAORFKBZPBW-UFBFGSQYSA-N -1 0 331.199 3.568 20 0 EHADRM CCOCCN(Cc1ccc(C(=O)[O-])o1)Cc1ccccc1SC ZINC000566363436 1027836451 /nfs/dbraw/zinc/83/64/51/1027836451.db2.gz LDGPGKPPJQGYLS-UHFFFAOYSA-N -1 0 349.452 3.738 20 0 EHADRM Cc1ocnc1CN=c1[n-]nc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000536615424 1027839881 /nfs/dbraw/zinc/83/98/81/1027839881.db2.gz WJWCXANJXRDANL-UHFFFAOYSA-N -1 0 341.223 3.842 20 0 EHADRM CC(NC(=O)CC1(C(=O)[O-])CCC1)(c1ccccc1)c1ccccc1 ZINC000262545721 1027867737 /nfs/dbraw/zinc/86/77/37/1027867737.db2.gz RYBWUGGAPHGORJ-UHFFFAOYSA-N -1 0 337.419 3.711 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)n2)sc1C ZINC000783607748 1027948873 /nfs/dbraw/zinc/94/88/73/1027948873.db2.gz VQJMBICDJKJQFG-UHFFFAOYSA-N -1 0 337.253 3.868 20 0 EHADRM O=C(CCC1CCCCCC1)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC001269404471 1027954445 /nfs/dbraw/zinc/95/44/45/1027954445.db2.gz BWZHIYJCRPOLCG-UHFFFAOYSA-N -1 0 329.400 3.719 20 0 EHADRM Cc1cccc2c1CCN2C(=O)c1ccc(Br)c([O-])c1 ZINC000125856996 1028007692 /nfs/dbraw/zinc/00/76/92/1028007692.db2.gz LOARNUOYPAZUJO-UHFFFAOYSA-N -1 0 332.197 3.666 20 0 EHADRM CC(C)(CC(=O)N(CCc1cccc(F)c1)C1CCCC1)C(=O)[O-] ZINC000582868642 1028086098 /nfs/dbraw/zinc/08/60/98/1028086098.db2.gz HHQRYQCTYFLVEJ-UHFFFAOYSA-N -1 0 335.419 3.640 20 0 EHADRM CCCCOc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000509539350 1028148720 /nfs/dbraw/zinc/14/87/20/1028148720.db2.gz MXQOYQSNEKGOAD-UHFFFAOYSA-N -1 0 341.379 3.945 20 0 EHADRM O=S(=O)([N-]c1ccccc1OC1CCCC1)c1cccc(F)c1 ZINC000614841059 1028162489 /nfs/dbraw/zinc/16/24/89/1028162489.db2.gz IIBDAACMVKSOGD-UHFFFAOYSA-N -1 0 335.400 3.948 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2ccc(Br)nc2)c1 ZINC001211958543 1028172353 /nfs/dbraw/zinc/17/23/53/1028172353.db2.gz WMGPATJENSSYHU-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM COC(=O)c1c(Cl)nccc1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211960514 1028189243 /nfs/dbraw/zinc/18/92/43/1028189243.db2.gz DMMMFMMZGABJGN-UHFFFAOYSA-N -1 0 341.150 3.617 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2cc(Br)c[nH]c2=O)c1 ZINC001211961160 1028197606 /nfs/dbraw/zinc/19/76/06/1028197606.db2.gz XTSQKLYSGUMUGK-UHFFFAOYSA-N -1 0 343.564 3.645 20 0 EHADRM CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(OCC)cc1 ZINC000614852859 1028210940 /nfs/dbraw/zinc/21/09/40/1028210940.db2.gz VPJYWTGFZRWJQK-UHFFFAOYSA-N -1 0 349.452 3.983 20 0 EHADRM Cc1nn(C)c([N-]S(=O)(=O)c2c(C)sc3c2cccc3C)c1C ZINC000421227963 1028212753 /nfs/dbraw/zinc/21/27/53/1028212753.db2.gz PJQPYTLSJIEEOZ-UHFFFAOYSA-N -1 0 349.481 3.669 20 0 EHADRM CC(C)c1cnn2cc(Nc3cc(Cl)cc(C(=O)[O-])c3)cnc12 ZINC001211962368 1028213819 /nfs/dbraw/zinc/21/38/19/1028213819.db2.gz AINGWTUZGTYPMS-UHFFFAOYSA-N -1 0 330.775 3.948 20 0 EHADRM O=C([O-])CC1(CC(=O)NCc2ccc(Cl)cc2F)CCCCC1 ZINC000487506306 1028318284 /nfs/dbraw/zinc/31/82/84/1028318284.db2.gz VGZTUTKMNQPTSJ-UHFFFAOYSA-N -1 0 341.810 3.911 20 0 EHADRM NC(=O)c1ccc(Cl)c(Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC001211967220 1028336152 /nfs/dbraw/zinc/33/61/52/1028336152.db2.gz WWCBIZDBSFCLPO-UHFFFAOYSA-N -1 0 325.151 3.534 20 0 EHADRM Cc1ccccc1C[C@H](C)N(C)C(=O)N=c1[n-]nc(CC(C)C)s1 ZINC000444839068 1028338084 /nfs/dbraw/zinc/33/80/84/1028338084.db2.gz RYNVPQGAZXMNPK-AWEZNQCLSA-N -1 0 346.500 3.562 20 0 EHADRM COC(=O)C1(c2ccc(Nc3cc(Cl)cc(C(=O)[O-])c3)cc2)CC1 ZINC001211967268 1028338917 /nfs/dbraw/zinc/33/89/17/1028338917.db2.gz ZCCBHQJQULEVHO-UHFFFAOYSA-N -1 0 345.782 3.986 20 0 EHADRM COc1cccc2c1ncc(C(=O)[O-])c2N1CCC[C@@H]1c1cccnc1 ZINC000582966065 1028378905 /nfs/dbraw/zinc/37/89/05/1028378905.db2.gz DRKFMPTYNILRLO-MRXNPFEDSA-N -1 0 349.390 3.678 20 0 EHADRM CCc1ncsc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000161983550 1028405523 /nfs/dbraw/zinc/40/55/23/1028405523.db2.gz BAZQNXZNRAHAIP-UHFFFAOYSA-N -1 0 336.360 3.525 20 0 EHADRM C[C@@H]1CC[C@@H](NC(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)C1 ZINC000444916862 1028409837 /nfs/dbraw/zinc/40/98/37/1028409837.db2.gz CNAAMTFEAKDLIA-NXEZZACHSA-N -1 0 336.848 3.591 20 0 EHADRM COc1ccccc1[C@@H]1CCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000069086793 1028419052 /nfs/dbraw/zinc/41/90/52/1028419052.db2.gz NBQFHKOOOQWIPS-AWEZNQCLSA-N -1 0 341.436 3.743 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2ccc(F)c3c2OCCC3=O)c1 ZINC001211969539 1028439167 /nfs/dbraw/zinc/43/91/67/1028439167.db2.gz ONSSQGYAADIOEV-UHFFFAOYSA-N -1 0 335.718 3.886 20 0 EHADRM Cc1ccc(-c2[n-][nH]c(=NC(=O)c3cnc4ccccc4c3)c2C)o1 ZINC000342972465 1028472851 /nfs/dbraw/zinc/47/28/51/1028472851.db2.gz QLZMPOGYFLQBGX-UHFFFAOYSA-N -1 0 332.363 3.509 20 0 EHADRM O=C(Nc1cccc(-c2cc[nH]n2)c1)c1cc(F)c([O-])c(Cl)c1 ZINC000194395475 1028512332 /nfs/dbraw/zinc/51/23/32/1028512332.db2.gz VHVZGQJOOWEYQJ-UHFFFAOYSA-N -1 0 331.734 3.827 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1cncc(-c2ccc(Cl)cc2)c1)C(=O)[O-] ZINC000236611377 1028560388 /nfs/dbraw/zinc/56/03/88/1028560388.db2.gz STMSFRYZMUEEID-MRXNPFEDSA-N -1 0 346.814 3.631 20 0 EHADRM CC[C@H](C)c1cc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])on1 ZINC000236902526 1028602222 /nfs/dbraw/zinc/60/22/22/1028602222.db2.gz WVDDLSQCUYEPOP-KBPBESRZSA-N -1 0 344.411 3.551 20 0 EHADRM CCN(CC(=O)[O-])C(=O)c1ccccc1Nc1cccc(C)c1C ZINC000236971935 1028604040 /nfs/dbraw/zinc/60/40/40/1028604040.db2.gz OYWSFQUWQDEISH-UHFFFAOYSA-N -1 0 326.396 3.594 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000237049245 1028621067 /nfs/dbraw/zinc/62/10/67/1028621067.db2.gz QMUXKHBLDYBNIR-ZIAGYGMSSA-N -1 0 343.423 3.664 20 0 EHADRM Cc1cc2cccnc2c([N-]S(=O)(=O)CCc2ccccc2)c1 ZINC000074795431 1028633585 /nfs/dbraw/zinc/63/35/85/1028633585.db2.gz PGFHVFREODCVQV-UHFFFAOYSA-N -1 0 326.421 3.528 20 0 EHADRM CC[C@H](N=c1[n-]nc(C2CC2)o1)c1cc(F)cc(Br)c1 ZINC000343015184 1028643361 /nfs/dbraw/zinc/64/33/61/1028643361.db2.gz ZTFRVVDHPYHSBY-LBPRGKRZSA-N -1 0 340.196 3.834 20 0 EHADRM Cc1ccccc1C[C@H](C)N(C)C(=O)N=c1[n-]nc(C(C)(C)C)s1 ZINC000445239543 1028647473 /nfs/dbraw/zinc/64/74/73/1028647473.db2.gz LHTMFFKAUMDTRI-ZDUSSCGKSA-N -1 0 346.500 3.661 20 0 EHADRM Cc1ccc(F)cc1NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000237563313 1028657373 /nfs/dbraw/zinc/65/73/73/1028657373.db2.gz HCMUGVNYJXXROI-NSHDSACASA-N -1 0 333.384 3.952 20 0 EHADRM Cc1ccc(C)c(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)c1 ZINC000237641326 1028659145 /nfs/dbraw/zinc/65/91/45/1028659145.db2.gz FZHMDIZPFXGAHH-UHFFFAOYSA-N -1 0 325.408 3.811 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1csc2c1CCCC2 ZINC000237620234 1028659309 /nfs/dbraw/zinc/65/93/09/1028659309.db2.gz CFEQUMUZRJCVAX-MRXNPFEDSA-N -1 0 343.448 3.881 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1cnc(-c2ccsc2)s1 ZINC000238102494 1028676754 /nfs/dbraw/zinc/67/67/54/1028676754.db2.gz ZPHCLRQAKAIECY-UHFFFAOYSA-N -1 0 344.417 3.751 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cnc(-c3ccsc3)s2)c1 ZINC000238228642 1028680793 /nfs/dbraw/zinc/68/07/93/1028680793.db2.gz JVJLCGJBQTWZPP-UHFFFAOYSA-N -1 0 330.390 3.822 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)n1 ZINC000504535494 1028701984 /nfs/dbraw/zinc/70/19/84/1028701984.db2.gz AUELMQLPIDLHFO-UHFFFAOYSA-N -1 0 328.434 3.652 20 0 EHADRM Cc1c(CNC(=O)N=c2nc(C(C)(C)C)[n-]s2)oc2ccccc12 ZINC000523931863 1028723019 /nfs/dbraw/zinc/72/30/19/1028723019.db2.gz ZLSSJTXGNZCIBY-UHFFFAOYSA-N -1 0 344.440 3.634 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)c2cccc(Cl)c2F)n1 ZINC000504542222 1028725032 /nfs/dbraw/zinc/72/50/32/1028725032.db2.gz NYQPPANMKOPQCQ-UHFFFAOYSA-N -1 0 334.825 3.689 20 0 EHADRM Cc1ccc(Cc2n[n-]c(=NC(=O)N(C)[C@@H]3CC[C@H](C)C3)s2)cc1 ZINC000429736126 1028731106 /nfs/dbraw/zinc/73/11/06/1028731106.db2.gz GXNBEDMWFLDPAA-DZGCQCFKSA-N -1 0 344.484 3.512 20 0 EHADRM C=CCOc1ccc(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)cc1 ZINC000023165435 1028763281 /nfs/dbraw/zinc/76/32/81/1028763281.db2.gz VZLVBMADRQUOIO-DHZHZOJOSA-N -1 0 338.359 3.611 20 0 EHADRM C[C@]1(C(=O)Nc2cc(Br)cc(Cl)c2[O-])CC1(F)F ZINC000421791437 1028798796 /nfs/dbraw/zinc/79/87/96/1028798796.db2.gz INQKBWXDCSTOLT-SNVBAGLBSA-N -1 0 340.551 3.792 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)Nc3cccc4ccsc43)cc2=O)cc1 ZINC000504685453 1028820478 /nfs/dbraw/zinc/82/04/78/1028820478.db2.gz VQIJGUWZXRLVHV-UHFFFAOYSA-N -1 0 349.415 3.941 20 0 EHADRM Cc1cnn(C)c1/C=C\c1nc(C(=O)[O-])c(-c2ccccc2)s1 ZINC000504723334 1028866857 /nfs/dbraw/zinc/86/68/57/1028866857.db2.gz ZOGFFOPYYDRORG-HJWRWDBZSA-N -1 0 325.393 3.721 20 0 EHADRM C[C@H]1CN(C(=O)N=c2[n-]nc(-c3ccsc3)s2)c2ccccc21 ZINC000503017949 1028969973 /nfs/dbraw/zinc/96/99/73/1028969973.db2.gz ODJAILWTSGYWRR-JTQLQIEISA-N -1 0 342.449 3.844 20 0 EHADRM C[C@H]1CCC[C@H](N(C)C(=O)N=c2[n-]nc(-c3ccsc3)s2)C1 ZINC000503057597 1029013987 /nfs/dbraw/zinc/01/39/87/1029013987.db2.gz YFDNQUNOCXQDIJ-JQWIXIFHSA-N -1 0 336.486 3.731 20 0 EHADRM O=C(N=c1nc(Cc2ccccc2)[n-]s1)c1sccc1C1CC1 ZINC000503060415 1029016262 /nfs/dbraw/zinc/01/62/62/1029016262.db2.gz JMLXKVAYQCUGRZ-UHFFFAOYSA-N -1 0 341.461 3.742 20 0 EHADRM Cc1cccc(CN(C)C(=O)N=c2[n-]nc(-c3ccsc3)s2)c1 ZINC000503054881 1029022572 /nfs/dbraw/zinc/02/25/72/1029022572.db2.gz SKUBOFXATIXBEQ-UHFFFAOYSA-N -1 0 344.465 3.661 20 0 EHADRM COc1ccc([C@@H]2CCCN2C(=O)[C@@](C)(CC(=O)[O-])CC(C)C)cc1 ZINC000634853145 1029031511 /nfs/dbraw/zinc/03/15/11/1029031511.db2.gz DMQMUZSVVGIQBN-FXAWDEMLSA-N -1 0 347.455 3.886 20 0 EHADRM C[C@@H](NC(=O)NCCC(C)(C)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000424399143 1029050584 /nfs/dbraw/zinc/05/05/84/1029050584.db2.gz WTVGGWNTHYIQOK-SNVBAGLBSA-N -1 0 346.349 3.567 20 0 EHADRM COCCCC[C@@H](N=c1[n-]nc(-c2ccon2)s1)c1ccccc1 ZINC000343084920 1029062856 /nfs/dbraw/zinc/06/28/56/1029062856.db2.gz OAGAYUSJYFZGEV-CQSZACIVSA-N -1 0 344.440 3.585 20 0 EHADRM O=S(=O)([N-]c1ccc(OCc2ccncc2)cc1)c1cccs1 ZINC000356733474 1029070212 /nfs/dbraw/zinc/07/02/12/1029070212.db2.gz BIOKKIXSIOZDTG-UHFFFAOYSA-N -1 0 346.433 3.523 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000532985591 1029144356 /nfs/dbraw/zinc/14/43/56/1029144356.db2.gz BLRKWAMIIQYTST-QGZVFWFLSA-N -1 0 340.402 3.674 20 0 EHADRM CC(C)Sc1ccccc1NC(=O)c1n[n-]c2ccccc2c1=O ZINC000160926703 1029164816 /nfs/dbraw/zinc/16/48/16/1029164816.db2.gz HRSIEFGAXKXBND-UHFFFAOYSA-N -1 0 339.420 3.676 20 0 EHADRM O=C(N=c1nc(-c2ccccc2Cl)[n-]s1)[C@@H]1CCC[C@@H](F)C1 ZINC000424661191 1029223277 /nfs/dbraw/zinc/22/32/77/1029223277.db2.gz HXTBTNZLXZDECM-NXEZZACHSA-N -1 0 339.823 3.747 20 0 EHADRM Cc1cc(=NC(=O)CSc2cc(Cl)ccc2Cl)[n-]nc1C ZINC000524489018 1029232953 /nfs/dbraw/zinc/23/29/53/1029232953.db2.gz LCVCTYTTWFECPT-UHFFFAOYSA-N -1 0 342.251 3.553 20 0 EHADRM Cc1cc([C@H](C)N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)oc1C(=O)[O-] ZINC000583209223 1029251200 /nfs/dbraw/zinc/25/12/00/1029251200.db2.gz IBWAPNGPRWIGDE-IIYDPXPESA-N -1 0 347.386 3.948 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N=c3cc(C)c(C)n[n-]3)c(F)c2)cc1 ZINC000524512234 1029256362 /nfs/dbraw/zinc/25/63/62/1029256362.db2.gz LWJAZKAQRHHQFY-UHFFFAOYSA-N -1 0 335.382 3.882 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)Nc1ccc(Cl)cc1 ZINC000320594961 1029308870 /nfs/dbraw/zinc/30/88/70/1029308870.db2.gz XTWLBSVCBNTCKH-OAHLLOKOSA-N -1 0 330.771 3.556 20 0 EHADRM CCc1ccc(C([O-])=C(C)S(=O)(=O)c2ccc(CC)cc2)cc1 ZINC000583224876 1029314895 /nfs/dbraw/zinc/31/48/95/1029314895.db2.gz UWRCUYWNGSPCRV-CQSZACIVSA-N -1 0 330.449 3.857 20 0 EHADRM Cc1cc(/C=C/C(=O)N[C@@H](C)CC(=O)[O-])c(C)n1C1CCCCC1 ZINC000237455869 1029345731 /nfs/dbraw/zinc/34/57/31/1029345731.db2.gz QMOFHWJASSOAED-LXKVQUBZSA-N -1 0 332.444 3.603 20 0 EHADRM CC(=O)N(Cc1ccc(NC(=O)c2c([O-])cccc2F)cc1)C(C)C ZINC000125034292 1029401173 /nfs/dbraw/zinc/40/11/73/1029401173.db2.gz CJDIMHALNMZMBD-UHFFFAOYSA-N -1 0 344.386 3.541 20 0 EHADRM COc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C)cc2cccnc21 ZINC000614865930 1029420633 /nfs/dbraw/zinc/42/06/33/1029420633.db2.gz HBOVCWYMIYPUFY-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM Cc1ncc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c(C2CC2)n1 ZINC000533217858 1029480528 /nfs/dbraw/zinc/48/05/28/1029480528.db2.gz QUKPVDBZDACAJE-UHFFFAOYSA-N -1 0 331.441 3.587 20 0 EHADRM CCc1oc(C(=O)N2CCC[C@@](C)(c3ccccc3)C2)cc1C(=O)[O-] ZINC000261692158 1029485059 /nfs/dbraw/zinc/48/50/59/1029485059.db2.gz SAILLTHPXIBTBB-HXUWFJFHSA-N -1 0 341.407 3.734 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000050921173 1029542313 /nfs/dbraw/zinc/54/23/13/1029542313.db2.gz BBSCCLRELONZKF-ZDUSSCGKSA-N -1 0 330.211 3.853 20 0 EHADRM CC[C@H](C(=O)Nc1cc(C(C)=O)ccc1[O-])c1ccc(OC)cc1 ZINC000272664644 1029556441 /nfs/dbraw/zinc/55/64/41/1029556441.db2.gz IRHIEXIACARIJG-INIZCTEOSA-N -1 0 327.380 3.736 20 0 EHADRM Cc1c2cccc(Cl)c2oc1C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000262301255 1029582298 /nfs/dbraw/zinc/58/22/98/1029582298.db2.gz KPNMINNIGKURHI-UHFFFAOYSA-N -1 0 335.787 3.722 20 0 EHADRM CC(C)[C@H](CC1CCCC1)C(=O)N=c1nc(-c2cccnc2)[n-]s1 ZINC000533725193 1029636228 /nfs/dbraw/zinc/63/62/28/1029636228.db2.gz LKPRWCRPPDGLOL-HNNXBMFYSA-N -1 0 344.484 3.813 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)cc1 ZINC000262821214 1029640503 /nfs/dbraw/zinc/64/05/03/1029640503.db2.gz AVIIRUPILGCVLY-HNHYXYPQSA-N -1 0 345.345 3.895 20 0 EHADRM CCCc1cnc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)s1 ZINC000262986204 1029654241 /nfs/dbraw/zinc/65/42/41/1029654241.db2.gz CSGCCVWUVZCVKX-UHFFFAOYSA-N -1 0 333.413 3.757 20 0 EHADRM Cc1cc2sc(NC(=O)NC(C)(C)CCC(=O)[O-])nc2cc1F ZINC000262996260 1029655079 /nfs/dbraw/zinc/65/50/79/1029655079.db2.gz FJOBAKRRBRDRJZ-UHFFFAOYSA-N -1 0 339.392 3.509 20 0 EHADRM C[C@H](CCC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-])c1ccccc1 ZINC000263099540 1029665986 /nfs/dbraw/zinc/66/59/86/1029665986.db2.gz ISGZQYHDILEWFX-SPUZQDLCSA-N -1 0 329.440 3.815 20 0 EHADRM CCC[C@H](CNC(=O)c1ccc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC000263137389 1029668577 /nfs/dbraw/zinc/66/85/77/1029668577.db2.gz HWVIAZFGXKTNCZ-LLVKDONJSA-N -1 0 335.787 3.831 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cccc(Oc2ccccc2)c1 ZINC000263188595 1029671703 /nfs/dbraw/zinc/67/17/03/1029671703.db2.gz KZHAMNZYRAKIFJ-GDBMZVCRSA-N -1 0 339.391 3.804 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2cc(C(F)F)ccc2Cl)C1 ZINC000263197592 1029672682 /nfs/dbraw/zinc/67/26/82/1029672682.db2.gz WSQNHKVYPHJULF-WCBMZHEXSA-N -1 0 346.761 3.852 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000263209500 1029674184 /nfs/dbraw/zinc/67/41/84/1029674184.db2.gz NIGHYRAISIOPNS-PWSUYJOCSA-N -1 0 344.238 3.638 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000263209502 1029674194 /nfs/dbraw/zinc/67/41/94/1029674194.db2.gz NIGHYRAISIOPNS-ZYHUDNBSSA-N -1 0 344.238 3.638 20 0 EHADRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cc(-c2ccccc2)ccc1Cl ZINC000263212330 1029674726 /nfs/dbraw/zinc/67/47/26/1029674726.db2.gz PBOHLBSIBPRTGT-DOMZBBRYSA-N -1 0 343.810 3.942 20 0 EHADRM C[C@H](CCC(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC000263221897 1029675704 /nfs/dbraw/zinc/67/57/04/1029675704.db2.gz ZAEGKEVRNAZPNV-VQIMIIECSA-N -1 0 339.435 3.630 20 0 EHADRM CCC[C@H](CNC(=O)C[C@@H](C)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000263251921 1029680274 /nfs/dbraw/zinc/68/02/74/1029680274.db2.gz VHLKZPJTXZPJGM-GXTWGEPZSA-N -1 0 325.836 3.526 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1CCC[C@@H](C(=O)[O-])[C@H]1C ZINC000263342915 1029689201 /nfs/dbraw/zinc/68/92/01/1029689201.db2.gz NWHOYGIHCBARBM-ZWNOBZJWSA-N -1 0 335.400 3.674 20 0 EHADRM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000263346451 1029690029 /nfs/dbraw/zinc/69/00/29/1029690029.db2.gz UFNSXGAXHWVFQY-XOYOTBSWSA-N -1 0 329.440 3.796 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1 ZINC000263383206 1029692805 /nfs/dbraw/zinc/69/28/05/1029692805.db2.gz XQNVBCDIKCMBHL-ZFWWWQNUSA-N -1 0 343.448 3.906 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)C1 ZINC000263382588 1029693151 /nfs/dbraw/zinc/69/31/51/1029693151.db2.gz BXQWFMPFCIQOHD-JTQLQIEISA-N -1 0 347.308 3.562 20 0 EHADRM CCc1c(C)sc(NC(=O)CC[C@@H]2CC[C@@H](C)O2)c1C(=O)[O-] ZINC000263401025 1029694445 /nfs/dbraw/zinc/69/44/45/1029694445.db2.gz FFRHYWITJGAVKM-KOLCDFICSA-N -1 0 325.430 3.603 20 0 EHADRM CCOc1ccccc1-c1cccc(C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])c1 ZINC000263403224 1029694544 /nfs/dbraw/zinc/69/45/44/1029694544.db2.gz FQQIZNYYFGWJKJ-KGLIPLIRSA-N -1 0 341.407 3.591 20 0 EHADRM Cc1ccc2c(C(=O)N3C[C@@H]4CCC[C@@]4(C(=O)[O-])C3)csc2c1 ZINC000263438439 1029698038 /nfs/dbraw/zinc/69/80/38/1029698038.db2.gz PCUFSIGPOPCIFO-KPZWWZAWSA-N -1 0 329.421 3.537 20 0 EHADRM Cc1cc(C)c(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)c(C)c1 ZINC000263444160 1029698889 /nfs/dbraw/zinc/69/88/89/1029698889.db2.gz QKPVIFSGHUVTGO-GOSISDBHSA-N -1 0 339.435 3.818 20 0 EHADRM COc1c(C)ccc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)c1C ZINC000263472027 1029702136 /nfs/dbraw/zinc/70/21/36/1029702136.db2.gz ICYPTABLYXWRIJ-UHFFFAOYSA-N -1 0 342.395 3.973 20 0 EHADRM COc1ccc(CNc2cccc(CCC(=O)[O-])c2)c(Cl)c1OC ZINC000263519578 1029708066 /nfs/dbraw/zinc/70/80/66/1029708066.db2.gz QKRIICDGQRBTMJ-UHFFFAOYSA-N -1 0 349.814 3.987 20 0 EHADRM COc1cc(NS(=O)(=O)c2ccc(C3CC3)cc2)c(C)c(OC)c1 ZINC000583363099 1029722361 /nfs/dbraw/zinc/72/23/61/1029722361.db2.gz XRJKVUYSBGBRPI-UHFFFAOYSA-N -1 0 347.436 3.690 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])o1)c1cc(Cl)ccc1Cl ZINC000347392239 1029723952 /nfs/dbraw/zinc/72/39/52/1029723952.db2.gz SXLKAMRNIZREAF-ZETCQYMHSA-N -1 0 328.151 3.776 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCc3cc(F)ccc32)c1 ZINC000615109633 1029742517 /nfs/dbraw/zinc/74/25/17/1029742517.db2.gz UQKKEBTWZFBNMN-OAHLLOKOSA-N -1 0 327.355 3.793 20 0 EHADRM COc1ccc2cc(CN=c3[n-]nc(-c4ccccc4)o3)ccc2c1 ZINC000508572496 1029769689 /nfs/dbraw/zinc/76/96/89/1029769689.db2.gz VSCZVXNNWZDIKC-UHFFFAOYSA-N -1 0 331.375 3.932 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)N(Cc1ccco1)Cc1cccs1 ZINC000324432535 1029806405 /nfs/dbraw/zinc/80/64/05/1029806405.db2.gz CNBYUMBKOHMKPN-HOTGVXAUSA-N -1 0 345.420 3.537 20 0 EHADRM CCc1nc([N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)sc1C ZINC000446825320 1029810080 /nfs/dbraw/zinc/81/00/80/1029810080.db2.gz YXFBAARSBKJIEN-UHFFFAOYSA-N -1 0 348.852 3.748 20 0 EHADRM Cc1nc([C@H](C)NC(=O)C(C)(C)c2ccccc2C)sc1C(=O)[O-] ZINC000262584188 1029857533 /nfs/dbraw/zinc/85/75/33/1029857533.db2.gz RSEGUEQCYNCDDA-LBPRGKRZSA-N -1 0 346.452 3.613 20 0 EHADRM COc1ccc(-c2n[n-]c(=NCc3ccc(C)c(Cl)c3)o2)cc1 ZINC000446964181 1029867034 /nfs/dbraw/zinc/86/70/34/1029867034.db2.gz BJTOACKUDAQJEK-UHFFFAOYSA-N -1 0 329.787 3.741 20 0 EHADRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C3CC3)nn2)c(C)c1C ZINC000446962547 1029867121 /nfs/dbraw/zinc/86/71/21/1029867121.db2.gz NAHDJNBEDOBDEL-UHFFFAOYSA-N -1 0 345.468 3.697 20 0 EHADRM c1cc(-c2n[n-]c(=NCC(c3ccccc3)c3ccccc3)s2)no1 ZINC000555902060 1029894002 /nfs/dbraw/zinc/89/40/02/1029894002.db2.gz LAYAWVWKWCXVAF-UHFFFAOYSA-N -1 0 348.431 3.859 20 0 EHADRM CC[C@H](C)n1ncc(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1C1CC1 ZINC000455789264 1029943753 /nfs/dbraw/zinc/94/37/53/1029943753.db2.gz LAGHDTAHENQLKG-SWLSCSKDSA-N -1 0 349.475 3.741 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccnn2[C@@H](C)CC(C)C)c1 ZINC000555951888 1029969602 /nfs/dbraw/zinc/96/96/02/1029969602.db2.gz HCQSXTKCRPZBLX-HNNXBMFYSA-N -1 0 335.473 3.908 20 0 EHADRM CCC[C@@H](Sc1n[n-]c(=Nc2ccccc2)s1)C(=O)OCC ZINC000525625310 1029995729 /nfs/dbraw/zinc/99/57/29/1029995729.db2.gz XQMNXGUJUYWIRP-GFCCVEGCSA-N -1 0 337.470 3.528 20 0 EHADRM CO[C@H]1CCC[C@H]1Sc1n[n-]c(=Nc2ccccc2F)s1 ZINC000583512108 1029999430 /nfs/dbraw/zinc/99/94/30/1029999430.db2.gz PMDORZTVFFWFBP-NWDGAFQWSA-N -1 0 325.434 3.502 20 0 EHADRM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1ccccc1OC ZINC000481884630 1030099740 /nfs/dbraw/zinc/09/97/40/1030099740.db2.gz DBAHIAGORJCSGK-UHFFFAOYSA-N -1 0 333.453 3.929 20 0 EHADRM CCc1cccnc1-c1noc(-c2ccc(Br)cc2[O-])n1 ZINC000157801239 1030102784 /nfs/dbraw/zinc/10/27/84/1030102784.db2.gz TULGBSZSBFMYAB-UHFFFAOYSA-N -1 0 346.184 3.829 20 0 EHADRM CCSCc1ccnc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000090367877 1030105295 /nfs/dbraw/zinc/10/52/95/1030105295.db2.gz GTPBJPZICYXGQM-UHFFFAOYSA-N -1 0 340.445 3.583 20 0 EHADRM CCSCc1ccnc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000090367829 1030105358 /nfs/dbraw/zinc/10/53/58/1030105358.db2.gz MZHHMPWHOQLMIT-UHFFFAOYSA-N -1 0 336.482 3.752 20 0 EHADRM CCCC(=O)Nc1cccc(NC(=O)c2c([O-])cccc2F)c1C ZINC000120813931 1030109151 /nfs/dbraw/zinc/10/91/51/1030109151.db2.gz BKAOTDQCSHMFLR-UHFFFAOYSA-N -1 0 330.359 3.831 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2nc(-c3ccccc3)ns2)c1 ZINC000121733251 1030254720 /nfs/dbraw/zinc/25/47/20/1030254720.db2.gz LNCGANVKZPKWCQ-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM CC1(C)CCC[C@@H](CC(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)C1 ZINC000525964609 1030276634 /nfs/dbraw/zinc/27/66/34/1030276634.db2.gz JYDFFRDSKGSYAJ-LBPRGKRZSA-N -1 0 329.400 3.575 20 0 EHADRM CC(C)C[C@H](NC(=O)N=c1[n-]nc(C2CC2)s1)c1ccccc1 ZINC000548803617 1030324297 /nfs/dbraw/zinc/32/42/97/1030324297.db2.gz BUKKQZMDXDCFFZ-AWEZNQCLSA-N -1 0 330.457 3.746 20 0 EHADRM COc1ccc2c([N-]S(=O)(=O)c3c(C)cc(C)cc3C)noc2c1 ZINC000427768850 1030390393 /nfs/dbraw/zinc/39/03/93/1030390393.db2.gz TUGFVFWERPLKSJ-UHFFFAOYSA-N -1 0 346.408 3.562 20 0 EHADRM CCOC(=O)c1oc2ncccc2c1Nc1ccc(C)c(C(=O)[O-])c1 ZINC001211594363 1030478726 /nfs/dbraw/zinc/47/87/26/1030478726.db2.gz UXYIMRIVHWBRKD-UHFFFAOYSA-N -1 0 340.335 3.755 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)c3nc(C)oc3-c3ccccc3)[nH][n-]2)o1 ZINC000447800738 1030483301 /nfs/dbraw/zinc/48/33/01/1030483301.db2.gz WVUWPYDAQFJYTA-UHFFFAOYSA-N -1 0 348.362 3.616 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)c3cccc4ccc(C)nc43)[nH][n-]2)o1 ZINC000447801060 1030483941 /nfs/dbraw/zinc/48/39/41/1030483941.db2.gz AUVAKKLEJCXSNH-UHFFFAOYSA-N -1 0 332.363 3.509 20 0 EHADRM Cn1ccc2ccc([N-]S(=O)(=O)c3cc(F)ccc3Cl)cc21 ZINC000526949504 1030498758 /nfs/dbraw/zinc/49/87/58/1030498758.db2.gz XHRHWONTGHPAPR-UHFFFAOYSA-N -1 0 338.791 3.772 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(Br)c([O-])c2)c2n[nH]cc21 ZINC000343364338 1030512062 /nfs/dbraw/zinc/51/20/62/1030512062.db2.gz BJCXLQZZWVKYNR-UHFFFAOYSA-N -1 0 346.184 3.592 20 0 EHADRM O=C([O-])CCc1cccc(-c2ccccc2OC[C@@H]2CCOC2)c1 ZINC000583704638 1030519867 /nfs/dbraw/zinc/51/98/67/1030519867.db2.gz MNXAPCUWNUSKAV-MRXNPFEDSA-N -1 0 326.392 3.786 20 0 EHADRM CN(C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-])[C@H]1CCOC1 ZINC000163418195 1030536601 /nfs/dbraw/zinc/53/66/01/1030536601.db2.gz ZKDWBGGWEBXEON-AWEZNQCLSA-N -1 0 331.799 3.574 20 0 EHADRM CCc1cccc(C)c1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000060436735 1030556148 /nfs/dbraw/zinc/55/61/48/1030556148.db2.gz UZYAVNNLQKMPFV-UHFFFAOYSA-N -1 0 329.343 3.776 20 0 EHADRM CCC(=O)Nc1ccc(NC(=O)c2cc(F)c([O-])c(Cl)c2)cc1 ZINC000194453363 1030620657 /nfs/dbraw/zinc/62/06/57/1030620657.db2.gz UZHUQZFWIHGXKR-UHFFFAOYSA-N -1 0 336.750 3.786 20 0 EHADRM C[C@@H]1CCC[C@@H](N(C)C(=O)N=c2nc(-c3ccsc3)[n-]s2)C1 ZINC000447999724 1030650070 /nfs/dbraw/zinc/65/00/70/1030650070.db2.gz KXRYRTGVMOTGRW-ZYHUDNBSSA-N -1 0 336.486 3.731 20 0 EHADRM CC(C)(C)[C@H](NC(=O)N=c1ccc(C2CC2)n[n-]1)c1ccc(F)cc1 ZINC000448144789 1030751449 /nfs/dbraw/zinc/75/14/49/1030751449.db2.gz GOAODDWLFJWZKP-QGZVFWFLSA-N -1 0 342.418 3.824 20 0 EHADRM O=C(NCc1ncccc1F)c1cc(Cl)c2ccccc2c1[O-] ZINC000527264936 1030756457 /nfs/dbraw/zinc/75/64/57/1030756457.db2.gz FVPHFFPIDGOIEQ-UHFFFAOYSA-N -1 0 330.746 3.663 20 0 EHADRM Cc1ccc(CN(C(=O)N=c2ccc(C3CC3)n[n-]2)C(C)C)s1 ZINC000448149221 1030772626 /nfs/dbraw/zinc/77/26/26/1030772626.db2.gz WZWSEJZMPBVZAY-UHFFFAOYSA-N -1 0 330.457 3.588 20 0 EHADRM C[C@H]1CCCC[C@H]1OCC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000073086711 1030803878 /nfs/dbraw/zinc/80/38/78/1030803878.db2.gz FKDYGEGLVBCSNP-SMDDNHRTSA-N -1 0 345.848 3.581 20 0 EHADRM CC(C)(C)c1nccc(N2CCC(c3ccccc3C(=O)[O-])CC2)n1 ZINC000668168606 1030831239 /nfs/dbraw/zinc/83/12/39/1030831239.db2.gz KDORKPJXHFTNEF-UHFFFAOYSA-N -1 0 339.439 3.856 20 0 EHADRM Cc1ccc2c(c1)CC[C@@H](C(=O)Nc1cc(F)cc(Cl)c1[O-])O2 ZINC000476723040 1030841911 /nfs/dbraw/zinc/84/19/11/1030841911.db2.gz IKVLUXKAMZPCOK-HNNXBMFYSA-N -1 0 335.762 3.825 20 0 EHADRM Cc1cc(C(=O)N[C@@H](C)CCC(=O)[O-])sc1-c1ccc(F)cc1 ZINC000237529901 1030901106 /nfs/dbraw/zinc/90/11/06/1030901106.db2.gz BZWRUOPPKNLWDW-NSHDSACASA-N -1 0 335.400 3.846 20 0 EHADRM CCC(CC)n1nc(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)cc1C ZINC000262815977 1030924410 /nfs/dbraw/zinc/92/44/10/1030924410.db2.gz ANAMKYJMYOPYCY-CYBMUJFWSA-N -1 0 343.427 3.993 20 0 EHADRM Cn1ccc2ccc([N-]S(=O)(=O)c3ccc(F)cc3Cl)cc21 ZINC000527489410 1030942123 /nfs/dbraw/zinc/94/21/23/1030942123.db2.gz RNHXTBQAAIOBAN-UHFFFAOYSA-N -1 0 338.791 3.772 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc(Cl)ccc1Cl ZINC000314834420 1031123486 /nfs/dbraw/zinc/12/34/86/1031123486.db2.gz YCEZJGXKRCMHJK-IIMNLJJBSA-N -1 0 342.222 3.851 20 0 EHADRM [O-]c1ccc(Cl)cc1-c1nc([C@H]2COc3ccccc3O2)no1 ZINC000320990637 1031140781 /nfs/dbraw/zinc/14/07/81/1031140781.db2.gz MCSRBBDXHIUUBD-CQSZACIVSA-N -1 0 330.727 3.608 20 0 EHADRM Cc1cc(N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)ncc1Br ZINC000650776302 1031253055 /nfs/dbraw/zinc/25/30/55/1031253055.db2.gz UAJAECFIQSDXJS-GXTWGEPZSA-N -1 0 347.212 3.878 20 0 EHADRM CCCCCOc1cc(C)ccc1CN=c1[n-]nc(COC)s1 ZINC000477109341 1031260555 /nfs/dbraw/zinc/26/05/55/1031260555.db2.gz LUZZMNNNMAMVSN-UHFFFAOYSA-N -1 0 335.473 3.596 20 0 EHADRM Cn1nc(CC(C)(C)C)cc1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000194639642 1031269741 /nfs/dbraw/zinc/26/97/41/1031269741.db2.gz TXZRMHHYZQQNTR-UHFFFAOYSA-N -1 0 339.798 3.759 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N2CC[C@@H](C)[C@H]2C)s1)c1ccccc1 ZINC000483655065 1031274241 /nfs/dbraw/zinc/27/42/41/1031274241.db2.gz CVUUBDNXVQSTIP-UMVBOHGHSA-N -1 0 344.484 3.764 20 0 EHADRM CSc1cc(C)c(C(=O)N[C@H](CC(=O)[O-])c2ccccc2C)o1 ZINC000668278338 1031378294 /nfs/dbraw/zinc/37/82/94/1031378294.db2.gz CGQGUFBDRZCISQ-CYBMUJFWSA-N -1 0 333.409 3.564 20 0 EHADRM COC(=O)CCCc1ccc(Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC001211606157 1031381028 /nfs/dbraw/zinc/38/10/28/1031381028.db2.gz IMEHUPNDGBFKSC-UHFFFAOYSA-N -1 0 327.380 3.933 20 0 EHADRM Cc1nc([C@H](C)NC(=O)C(C2CCC2)C2CCC2)sc1C(=O)[O-] ZINC000668282414 1031388950 /nfs/dbraw/zinc/38/89/50/1031388950.db2.gz RVEAMBYSDVPTGZ-JTQLQIEISA-N -1 0 336.457 3.543 20 0 EHADRM O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1cc(F)c([O-])c(Cl)c1 ZINC000194715000 1031393006 /nfs/dbraw/zinc/39/30/06/1031393006.db2.gz VHSZGSHUZQCPIB-CYBMUJFWSA-N -1 0 348.805 3.584 20 0 EHADRM CC[C@H](c1cccc(OC)c1)N(C)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000668298812 1031423198 /nfs/dbraw/zinc/42/31/98/1031423198.db2.gz KZHQWQYXAPOWJD-GOSISDBHSA-N -1 0 341.407 3.546 20 0 EHADRM CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000484030793 1031429455 /nfs/dbraw/zinc/42/94/55/1031429455.db2.gz DCBDLDULEPCCLE-UHFFFAOYSA-N -1 0 345.342 3.692 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)N([C@H](C)C2CC2)C2CC2)cc1 ZINC000176437013 1031437283 /nfs/dbraw/zinc/43/72/83/1031437283.db2.gz ATPFFCOVXWSLDY-QKFKETGDSA-N -1 0 333.497 3.707 20 0 EHADRM CCCN(CC(C)C)C(=O)N=c1[n-]nc(C=Cc2ccco2)s1 ZINC000484110353 1031460966 /nfs/dbraw/zinc/46/09/66/1031460966.db2.gz JWKCLGQNHFCCFJ-FPLPWBNLSA-N -1 0 334.445 3.623 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000484151531 1031471465 /nfs/dbraw/zinc/47/14/65/1031471465.db2.gz HSHDJDYYMQROSS-GFCCVEGCSA-N -1 0 337.345 3.515 20 0 EHADRM CN(C(=O)N=c1[n-]nc(/C=C\c2ccco2)s1)C1CCCCCC1 ZINC000484159830 1031480049 /nfs/dbraw/zinc/48/00/49/1031480049.db2.gz NRNLFSXSGHFRTE-KHPPLWFESA-N -1 0 346.456 3.910 20 0 EHADRM CC(C)Oc1ccc(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)cc1 ZINC000484256205 1031503357 /nfs/dbraw/zinc/50/33/57/1031503357.db2.gz OBDAJXXHZRCVPI-UHFFFAOYSA-N -1 0 349.390 3.680 20 0 EHADRM CN(C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])C1CCCCC1 ZINC000176939941 1031506987 /nfs/dbraw/zinc/50/69/87/1031506987.db2.gz QVFISKKYQQNGMP-UHFFFAOYSA-N -1 0 333.819 3.636 20 0 EHADRM Cc1ccc(-n2ccc3c2cc(N)cc3Br)cc1C(=O)[O-] ZINC001211607863 1031516656 /nfs/dbraw/zinc/51/66/56/1031516656.db2.gz AAJSHONOARJZSC-UHFFFAOYSA-N -1 0 345.196 3.982 20 0 EHADRM CCO[C@@H](CCNC(=O)c1cc(F)c([O-])c(Cl)c1)C1CCCC1 ZINC000194793575 1031520407 /nfs/dbraw/zinc/52/04/07/1031520407.db2.gz VAPMBRPPLBVZRM-HNNXBMFYSA-N -1 0 343.826 3.900 20 0 EHADRM CCc1n[n-]c(=NC(=O)Nc2cccc(COC(C)(C)C)c2C)s1 ZINC000475724716 1031592820 /nfs/dbraw/zinc/59/28/20/1031592820.db2.gz VJDMRZXFAXBVFG-UHFFFAOYSA-N -1 0 348.472 3.790 20 0 EHADRM Cc1ccc(NCc2c(Cl)nc(Cl)n2C)c(C)c1C(=O)[O-] ZINC000904029661 1031635761 /nfs/dbraw/zinc/63/57/61/1031635761.db2.gz FFZLPSINZJIQOW-UHFFFAOYSA-N -1 0 328.199 3.654 20 0 EHADRM O=C([O-])C(F)(F)CNCc1cccc(OCCCc2ccccc2)c1 ZINC000904032298 1031638625 /nfs/dbraw/zinc/63/86/25/1031638625.db2.gz MVDAFRUBZAZLOL-UHFFFAOYSA-N -1 0 349.377 3.508 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cccnc1C ZINC000178189057 1031641913 /nfs/dbraw/zinc/64/19/13/1031641913.db2.gz ZIPJZRCQHPPHJB-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(C)c(-c3ncco3)c2)s1 ZINC000178226338 1031646417 /nfs/dbraw/zinc/64/64/17/1031646417.db2.gz SQYBQNKJMRMVLX-UHFFFAOYSA-N -1 0 349.437 3.524 20 0 EHADRM Cc1ccc(-n2nc(-c3ccncc3)c3cc(N)ccc32)cc1C(=O)[O-] ZINC001211610064 1031763422 /nfs/dbraw/zinc/76/34/22/1031763422.db2.gz CQBJXRIOZFEWII-UHFFFAOYSA-N -1 0 344.374 3.676 20 0 EHADRM O=C([O-])N[C@H]1C[C@H](Nc2cccc(OC(F)(F)F)c2)C12CCC2 ZINC000904195966 1031842269 /nfs/dbraw/zinc/84/22/69/1031842269.db2.gz ZCBNAKUKUABTSV-RYUDHWBXSA-N -1 0 330.306 3.576 20 0 EHADRM Cc1c(N[C@H]2C[C@@H](NC(=O)[O-])C23CCC3)cccc1-c1ncco1 ZINC000904242230 1031888697 /nfs/dbraw/zinc/88/86/97/1031888697.db2.gz HJDTYRWIGDBBAX-LSDHHAIUSA-N -1 0 327.384 3.641 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1Cl ZINC000181197349 1031951409 /nfs/dbraw/zinc/95/14/09/1031951409.db2.gz ZVUUWMHHADXCCZ-UHFFFAOYSA-N -1 0 345.754 3.622 20 0 EHADRM CC(C)[C@@H](C)CC(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000455911402 1031961839 /nfs/dbraw/zinc/96/18/39/1031961839.db2.gz BQJMTLYHQLTILQ-HZMBPMFUSA-N -1 0 331.334 3.787 20 0 EHADRM Cc1c(C(=O)[O-])cnn1-c1cccc(NC(=O)[C@H]2CCC[C@H](C)C2)c1 ZINC000448989552 1031999085 /nfs/dbraw/zinc/99/90/85/1031999085.db2.gz GVRYVNICNFHNHK-JSGCOSHPSA-N -1 0 341.411 3.644 20 0 EHADRM O=C([O-])C1(CNC(=O)CC2(CCc3ccccc3)CCCC2)CC1 ZINC000449000779 1032010561 /nfs/dbraw/zinc/01/05/61/1032010561.db2.gz ZUPOXERQAHSOLQ-UHFFFAOYSA-N -1 0 329.440 3.551 20 0 EHADRM Cc1cc(NC(=O)c2cccc([C@@H]3CCOC3)c2)cc(C(=O)[O-])c1C ZINC000448986278 1032015108 /nfs/dbraw/zinc/01/51/08/1032015108.db2.gz CEKWNJJEXSSJSI-MRXNPFEDSA-N -1 0 339.391 3.758 20 0 EHADRM Cc1cc(NC(=O)c2cccc([C@H]3CCOC3)c2)cc(C(=O)[O-])c1C ZINC000448986277 1032015146 /nfs/dbraw/zinc/01/51/46/1032015146.db2.gz CEKWNJJEXSSJSI-INIZCTEOSA-N -1 0 339.391 3.758 20 0 EHADRM CCc1cc(=O)[nH]c(S[C@H](CC)C(=O)c2ccc(Cl)cc2)n1 ZINC000195074218 1032018657 /nfs/dbraw/zinc/01/86/57/1032018657.db2.gz MNYLEPNOLQFPRB-CYBMUJFWSA-N -1 0 336.844 3.739 20 0 EHADRM O=C([O-])CS(=O)(=O)Cc1ccc(-c2cccc(C3CCC3)c2)cc1 ZINC000574651531 1033315011 /nfs/dbraw/zinc/31/50/11/1033315011.db2.gz HEDOLLDQQNXIFO-UHFFFAOYSA-N -1 0 344.432 3.621 20 0 EHADRM CCC[C@@H](CNC(=O)CSc1ccc2ccccc2c1)C(=O)[O-] ZINC000263156639 1033324604 /nfs/dbraw/zinc/32/46/04/1033324604.db2.gz JKNJSIRWKZHQBP-HNNXBMFYSA-N -1 0 331.437 3.549 20 0 EHADRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1noc2cc(Cl)ccc21 ZINC000574626993 1033325098 /nfs/dbraw/zinc/32/50/98/1033325098.db2.gz LRRKBQKWXBSHBO-UHFFFAOYSA-N -1 0 340.763 3.730 20 0 EHADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000263175399 1033326321 /nfs/dbraw/zinc/32/63/21/1033326321.db2.gz LCJYZKLVPGGANY-XHDPSFHLSA-N -1 0 345.345 3.567 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CC[C@@H](c2ccccc2)C[C@H]1C ZINC000455868558 1033340865 /nfs/dbraw/zinc/34/08/65/1033340865.db2.gz VVPFVGUYNOHEQI-GDBMZVCRSA-N -1 0 341.407 3.623 20 0 EHADRM CCCOc1c(CN=c2[n-]nc(CC(C)(C)C)o2)cccc1OCC ZINC000537488869 1033368280 /nfs/dbraw/zinc/36/82/80/1033368280.db2.gz FSGJDTJWPXFEHV-UHFFFAOYSA-N -1 0 347.459 3.880 20 0 EHADRM Cc1c(C(F)(F)F)[n-][nH]c1=NC(=O)[C@@H](C)CCc1cccc(F)c1 ZINC000608120769 1033481822 /nfs/dbraw/zinc/48/18/22/1033481822.db2.gz SMDWRVBXSVFTQB-VIFPVBQESA-N -1 0 343.324 3.505 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@@H]2CCSc3ccc(F)cc32)CCCC1 ZINC000390380360 1033521377 /nfs/dbraw/zinc/52/13/77/1033521377.db2.gz UYGKLQJOMFJIGD-CYBMUJFWSA-N -1 0 337.416 3.514 20 0 EHADRM C[C@H](NC(=O)N=c1[n-]nc(Cc2ccccc2)s1)C1CCCCC1 ZINC000608263476 1033559172 /nfs/dbraw/zinc/55/91/72/1033559172.db2.gz FNEBXVGDRHXVBC-ZDUSSCGKSA-N -1 0 344.484 3.641 20 0 EHADRM COCc1cc(-c2ccc3c(c2)CC[C@]32C[C@H]2C(=O)[O-])ccc1OC ZINC000574822700 1033575867 /nfs/dbraw/zinc/57/58/67/1033575867.db2.gz CHSXKHZPFNJETB-RXVVDRJESA-N -1 0 338.403 3.797 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)[C@H]2CCCc3sccc32)cc1 ZINC000322393013 1033608123 /nfs/dbraw/zinc/60/81/23/1033608123.db2.gz RBYWEABVMLMISY-AJHXJQRKSA-N -1 0 327.405 3.905 20 0 EHADRM CC[C@H]1C[C@@H](C)CN1C(=O)c1cc(Br)c(F)cc1[O-] ZINC000450059654 1033649947 /nfs/dbraw/zinc/64/99/47/1033649947.db2.gz KPZAUABWHJXOGL-BDAKNGLRSA-N -1 0 330.197 3.554 20 0 EHADRM CCC[C@@](C)(CC)C(=O)NCc1ccc(O)c(Br)c1 ZINC000476376076 1033696714 /nfs/dbraw/zinc/69/67/14/1033696714.db2.gz HUCZPWALCUTRBR-OAHLLOKOSA-N -1 0 328.250 3.987 20 0 EHADRM O=S(=O)([N-][C@H](c1ccccc1)C(F)F)c1cc(F)ccc1Cl ZINC000431620823 1033713891 /nfs/dbraw/zinc/71/38/91/1033713891.db2.gz KIQCKOYUQCKXBV-CYBMUJFWSA-N -1 0 349.761 3.764 20 0 EHADRM CC(C)(CC(=O)N[C@H](Cc1ccccc1)c1ccccc1F)C(=O)[O-] ZINC000574939901 1033758363 /nfs/dbraw/zinc/75/83/63/1033758363.db2.gz KIVDFNCISVCHJH-QGZVFWFLSA-N -1 0 343.398 3.727 20 0 EHADRM CC1(CS(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)CCCCC1 ZINC000431626048 1033776058 /nfs/dbraw/zinc/77/60/58/1033776058.db2.gz SIIHPMRARMPJEE-CQSZACIVSA-N -1 0 331.428 3.883 20 0 EHADRM CCCS(=O)(=O)[N-]c1nc(-c2cccc(Cl)c2)c(C)s1 ZINC000550642841 1033798344 /nfs/dbraw/zinc/79/83/44/1033798344.db2.gz VZYINVJWZLGHRS-UHFFFAOYSA-N -1 0 330.862 3.924 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cn2)cc1 ZINC000608760241 1033873537 /nfs/dbraw/zinc/87/35/37/1033873537.db2.gz YPDGNQLGXIIIHL-UHFFFAOYSA-N -1 0 334.441 3.579 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)C1CCC(c2ccccc2)CC1 ZINC000174284858 1033877495 /nfs/dbraw/zinc/87/74/95/1033877495.db2.gz DLTFZELYNBCOME-UHFFFAOYSA-N -1 0 337.485 3.595 20 0 EHADRM Cc1noc(C)c1[C@@H](C)NC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1 ZINC000603719968 1033879421 /nfs/dbraw/zinc/87/94/21/1033879421.db2.gz KTIUFIDZZREIAI-ADLMAVQZSA-N -1 0 336.432 3.530 20 0 EHADRM CC(C)c1cc(Sc2n[n-]c(=Nc3cccc(F)c3)s2)ncn1 ZINC000599442030 1033928235 /nfs/dbraw/zinc/92/82/35/1033928235.db2.gz OEJFXHNDWJISDG-UHFFFAOYSA-N -1 0 347.444 3.907 20 0 EHADRM CCOC(=O)c1csc(=N[C@H](C)c2ccc(C(F)(F)F)cc2)[n-]1 ZINC000450243224 1033946477 /nfs/dbraw/zinc/94/64/77/1033946477.db2.gz CDVASOSBRLENNR-SECBINFHSA-N -1 0 344.358 3.934 20 0 EHADRM Cc1oc([C@H](C)N2C[C@@H](C)O[C@@H](c3ccccc3)C2)cc1C(=O)[O-] ZINC000517035204 1034121116 /nfs/dbraw/zinc/12/11/16/1034121116.db2.gz HDDUTRVIWQIKNV-FHSNZYRGSA-N -1 0 329.396 3.809 20 0 EHADRM CCOC(=O)c1csc(=N[C@@H](CC)c2ccc(F)cc2F)[n-]1 ZINC000450343677 1034150379 /nfs/dbraw/zinc/15/03/79/1034150379.db2.gz FINUMFPQHPZWFL-LBPRGKRZSA-N -1 0 326.368 3.583 20 0 EHADRM Cc1ccc(-c2nc(CCN=c3[n-]c(-c4ccccc4)no3)co2)cc1 ZINC000604035041 1034163185 /nfs/dbraw/zinc/16/31/85/1034163185.db2.gz QUXBDKFPPQNKLJ-UHFFFAOYSA-N -1 0 346.390 3.777 20 0 EHADRM O=C(C[C@@H]1CCCCO1)Nc1cc(Cl)cc(Br)c1[O-] ZINC000088403528 1034196878 /nfs/dbraw/zinc/19/68/78/1034196878.db2.gz LCYLJYGLGOXPHL-VIFPVBQESA-N -1 0 348.624 3.706 20 0 EHADRM O=S(=O)([N-]c1scnc1C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000534237049 1034278823 /nfs/dbraw/zinc/27/88/23/1034278823.db2.gz JCVNTJBKGKYOHQ-UHFFFAOYSA-N -1 0 348.371 3.840 20 0 EHADRM Cc1cc(=NC(=O)CCn2c3ccccc3c3ccccc32)[n-]nc1C ZINC000604233445 1034288646 /nfs/dbraw/zinc/28/86/46/1034288646.db2.gz FXIQNUHTJXKGCN-UHFFFAOYSA-N -1 0 344.418 3.652 20 0 EHADRM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000604303753 1034318353 /nfs/dbraw/zinc/31/83/53/1034318353.db2.gz LPIJVAAPCDUCNO-UHFFFAOYSA-N -1 0 341.864 3.843 20 0 EHADRM CC(C)[C@H](NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-])c1ccccc1Cl ZINC000604413618 1034371065 /nfs/dbraw/zinc/37/10/65/1034371065.db2.gz UPHRCWLAFJTUBQ-IOASZLSFSA-N -1 0 335.831 3.820 20 0 EHADRM CC(C)(C)O[C@H](C(=O)N=c1nc(C2(C)CC2)[n-]s1)c1ccccc1 ZINC000529700302 1034448765 /nfs/dbraw/zinc/44/87/65/1034448765.db2.gz YNFURCPXAIBVPZ-ZDUSSCGKSA-N -1 0 345.468 3.506 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000450533271 1034468861 /nfs/dbraw/zinc/46/88/61/1034468861.db2.gz SVTBJLGTZCWDIM-DDBAPUKQSA-N -1 0 329.440 3.672 20 0 EHADRM COc1cccc([C@H]2CN(C(=O)c3ccc(O)c(F)c3)CC2(C)C)c1 ZINC000529727719 1034494511 /nfs/dbraw/zinc/49/45/11/1034494511.db2.gz JCLYNXDOZMKQLI-MRXNPFEDSA-N -1 0 343.398 3.806 20 0 EHADRM O=S(=O)([N-][C@@H](c1ccccc1)C(F)F)c1c(F)cccc1Cl ZINC000431629810 1034524310 /nfs/dbraw/zinc/52/43/10/1034524310.db2.gz YEUFTYVQZRLSGG-LBPRGKRZSA-N -1 0 349.761 3.764 20 0 EHADRM CC[C@H]1CC[C@H](C)N1C(=O)c1cc(Br)c(F)cc1[O-] ZINC000450580078 1034544907 /nfs/dbraw/zinc/54/49/07/1034544907.db2.gz FCVKLXACDJQXQR-IUCAKERBSA-N -1 0 330.197 3.697 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000326438366 1034648623 /nfs/dbraw/zinc/64/86/23/1034648623.db2.gz UELZGARPKLDYFB-PWSUYJOCSA-N -1 0 344.333 3.588 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000326438364 1034656498 /nfs/dbraw/zinc/65/64/98/1034656498.db2.gz UELZGARPKLDYFB-CMPLNLGQSA-N -1 0 344.333 3.588 20 0 EHADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC000062126456 1034712908 /nfs/dbraw/zinc/71/29/08/1034712908.db2.gz FAJVXHGJXCOWIH-UHFFFAOYSA-N -1 0 347.436 3.817 20 0 EHADRM CCCc1ccnc(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)c1 ZINC001213185363 1034815994 /nfs/dbraw/zinc/81/59/94/1034815994.db2.gz YMDYIIGMKJBSGM-UHFFFAOYSA-N -1 0 327.384 3.581 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])cc1Cl ZINC000601983601 1034846606 /nfs/dbraw/zinc/84/66/06/1034846606.db2.gz GUPSCXFKKRZITQ-UWVGGRQHSA-N -1 0 345.848 3.661 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000601986648 1034848775 /nfs/dbraw/zinc/84/87/75/1034848775.db2.gz DTSKFCOZBBMMMG-RITPCOANSA-N -1 0 340.203 3.666 20 0 EHADRM Cc1oc(CNC(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1C(=O)[O-] ZINC000431650199 1034849570 /nfs/dbraw/zinc/84/95/70/1034849570.db2.gz SADLOOFYQLIQJU-UHFFFAOYSA-N -1 0 347.370 3.787 20 0 EHADRM Cc1cc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])nc2ccccc12 ZINC000431652199 1034880911 /nfs/dbraw/zinc/88/09/11/1034880911.db2.gz ATVFHOZLSLTHNE-LIRRHRJNSA-N -1 0 348.402 3.735 20 0 EHADRM Cc1ccccc1[C@@H]1CN(Cc2csc(C(=O)[O-])c2)[C@H](C)CO1 ZINC000569981791 1034938136 /nfs/dbraw/zinc/93/81/36/1034938136.db2.gz RUEMACQDGXPWGZ-CJNGLKHVSA-N -1 0 331.437 3.717 20 0 EHADRM CCc1csc([N-]S(=O)(=O)Cc2ccc(C(F)F)cc2)n1 ZINC000450973126 1034998113 /nfs/dbraw/zinc/99/81/13/1034998113.db2.gz RHEMJHJLRTWCPS-UHFFFAOYSA-N -1 0 332.397 3.585 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000570048350 1035004964 /nfs/dbraw/zinc/00/49/64/1035004964.db2.gz QZFYNQPGMAVKLK-GOSISDBHSA-N -1 0 341.407 3.699 20 0 EHADRM CCSCc1ccnc([N-]S(=O)(=O)c2sc(C)cc2C)c1 ZINC000450981785 1035011842 /nfs/dbraw/zinc/01/18/42/1035011842.db2.gz ATMRPNNDTUANBX-UHFFFAOYSA-N -1 0 342.511 3.814 20 0 EHADRM C[C@@H](c1ccc(Oc2ccccc2)cc1)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC000530169571 1035018556 /nfs/dbraw/zinc/01/85/56/1035018556.db2.gz LERYMBBOUKRIOM-VCBZYWHSSA-N -1 0 341.407 3.714 20 0 EHADRM Cc1nc([C@H](C)NC(=O)[C@@H](c2ccccc2)C(C)C)sc1C(=O)[O-] ZINC000236649254 1035022659 /nfs/dbraw/zinc/02/26/59/1035022659.db2.gz DVLOOGUGCFUNNE-GXTWGEPZSA-N -1 0 346.452 3.767 20 0 EHADRM Cc1csc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C(F)F)c1 ZINC000451027224 1035045522 /nfs/dbraw/zinc/04/55/22/1035045522.db2.gz PNYCDAYARYIOKQ-UHFFFAOYSA-N -1 0 349.428 3.647 20 0 EHADRM O=S(=O)([N-]c1nc2cc(Cl)ccc2s1)c1cccs1 ZINC000136752973 1035088029 /nfs/dbraw/zinc/08/80/29/1035088029.db2.gz LMLGMMPPDPHPMH-UHFFFAOYSA-N -1 0 330.843 3.812 20 0 EHADRM Cc1ccc([C@H](N=c2[n-]nc(C(F)F)s2)c2ccccn2)cc1 ZINC000376004218 1035098012 /nfs/dbraw/zinc/09/80/12/1035098012.db2.gz AXGOCEVIAWUEKY-ZDUSSCGKSA-N -1 0 332.379 3.803 20 0 EHADRM Nc1c(Cl)cc(NC(=O)c2c([O-])cc(F)cc2F)cc1Cl ZINC000066042117 1035172642 /nfs/dbraw/zinc/17/26/42/1035172642.db2.gz VGRDMAQVOIMBBP-UHFFFAOYSA-N -1 0 333.121 3.812 20 0 EHADRM Cc1noc(C)c1[C@H](C)CC(=O)Nc1cc(C)c(C)c(C(=O)[O-])c1 ZINC000431675346 1035194160 /nfs/dbraw/zinc/19/41/60/1035194160.db2.gz HZXKBSARLJXXSB-SNVBAGLBSA-N -1 0 330.384 3.739 20 0 EHADRM O=c1nc(COc2cccc(C(F)(F)F)c2)[n-]c2ccsc21 ZINC000612847096 1035260047 /nfs/dbraw/zinc/26/00/47/1035260047.db2.gz LCTKMYXLGCHWIY-UHFFFAOYSA-N -1 0 326.299 3.995 20 0 EHADRM Cc1ccc(-c2csc3[n-]c(-c4ncc(C)cn4)nc(=O)c23)s1 ZINC000133635445 1035319489 /nfs/dbraw/zinc/31/94/89/1035319489.db2.gz PMVMYDABKVMZRL-UHFFFAOYSA-N -1 0 340.433 3.787 20 0 EHADRM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccnn1C1CCCC1 ZINC000066248863 1035326897 /nfs/dbraw/zinc/32/68/97/1035326897.db2.gz HMEVOPMSGDUTMT-UHFFFAOYSA-N -1 0 339.848 3.761 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccnn2C2CCCC2)cc1Cl ZINC000066248852 1035327170 /nfs/dbraw/zinc/32/71/70/1035327170.db2.gz LZJWUCQDSQZGON-UHFFFAOYSA-N -1 0 339.848 3.761 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2nc(C)cs2)cc1Cl ZINC000185608187 1035502316 /nfs/dbraw/zinc/50/23/16/1035502316.db2.gz QWODCLOEOCYNLK-UHFFFAOYSA-N -1 0 334.875 3.628 20 0 EHADRM CO[C@H](C)c1nc(=N[C@H](C)Cc2ccc(C(F)(F)F)cc2)s[n-]1 ZINC000509714868 1035522849 /nfs/dbraw/zinc/52/28/49/1035522849.db2.gz UFYMCICRULZMLI-NXEZZACHSA-N -1 0 345.390 3.729 20 0 EHADRM O=C([O-])C[C@H]1CCCN1c1nc2cc(C(F)(F)F)ccc2s1 ZINC000571527162 1035545237 /nfs/dbraw/zinc/54/52/37/1035545237.db2.gz SLVIEHWWMLTRGC-SECBINFHSA-N -1 0 330.331 3.759 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)N[C@H](CC(=O)[O-])C2CCCCC2)c1 ZINC000540703550 1035583682 /nfs/dbraw/zinc/58/36/82/1035583682.db2.gz GGISOFRRBJGKKC-KBXCAEBGSA-N -1 0 347.455 3.729 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)/C=C\c2ccc(C)o2)cc1 ZINC000492331005 1035633037 /nfs/dbraw/zinc/63/30/37/1035633037.db2.gz OIBBYUZEZIWJSZ-BSDKJSHOSA-N -1 0 345.420 3.655 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000186437492 1035634026 /nfs/dbraw/zinc/63/40/26/1035634026.db2.gz OFNKGLDGBABENH-UHFFFAOYSA-N -1 0 333.309 3.739 20 0 EHADRM C[C@H](Oc1n[n-]c(=O)cc1Cl)c1c(F)cccc1Br ZINC001233588930 1035670891 /nfs/dbraw/zinc/67/08/91/1035670891.db2.gz GZRVWASJNFCSFR-LURJTMIESA-N -1 0 347.571 3.877 20 0 EHADRM CCCOc1ccc(CN=c2[n-]nc(Cc3ccc(F)cc3)o2)cc1 ZINC000540791618 1035682858 /nfs/dbraw/zinc/68/28/58/1035682858.db2.gz TXZGUZSHBZCVSY-UHFFFAOYSA-N -1 0 341.386 3.622 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)/C=C/c1ccc(-n2ccnc2)cc1 ZINC000492386785 1035732018 /nfs/dbraw/zinc/73/20/18/1035732018.db2.gz NVCOGOFAACAHPC-WEVVVXLNSA-N -1 0 347.374 3.531 20 0 EHADRM Cc1nc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)oc1C ZINC000540901799 1035781129 /nfs/dbraw/zinc/78/11/29/1035781129.db2.gz WEQHZZLRZKBAKS-UHFFFAOYSA-N -1 0 340.404 3.663 20 0 EHADRM Fc1cccc(-c2ccc(C[NH2+]C3(c4nnn[n-]4)CCCC3)s2)c1 ZINC000540923704 1035793904 /nfs/dbraw/zinc/79/39/04/1035793904.db2.gz AAPRNRZTQPLYGW-UHFFFAOYSA-N -1 0 343.431 3.626 20 0 EHADRM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2ccc(C(C)C)cc2)c1 ZINC000045097813 1035844283 /nfs/dbraw/zinc/84/42/83/1035844283.db2.gz IUBRUINYGCVAJK-UHFFFAOYSA-N -1 0 345.420 3.706 20 0 EHADRM COc1cc(F)c(S(=O)(=O)[N-]c2cccc3ccccc32)c(F)c1 ZINC000588626036 1035917970 /nfs/dbraw/zinc/91/79/70/1035917970.db2.gz PZAVMKCFELWDMF-UHFFFAOYSA-N -1 0 349.358 3.927 20 0 EHADRM CC(C)(C)[C@@H]1CCN(C(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])C1 ZINC000613463626 1035964649 /nfs/dbraw/zinc/96/46/49/1035964649.db2.gz VNHAAKFIPLXFOJ-GFCCVEGCSA-N -1 0 347.846 3.740 20 0 EHADRM CCCN(CC(C)C)C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000666184408 1035998170 /nfs/dbraw/zinc/99/81/70/1035998170.db2.gz BISHXOQEZATQIE-UHFFFAOYSA-N -1 0 335.835 3.740 20 0 EHADRM O=C([O-])CC1(CN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000572249681 1036031669 /nfs/dbraw/zinc/03/16/69/1036031669.db2.gz UHLGCEOMUAJEOV-CQSZACIVSA-N -1 0 344.238 3.622 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000263112180 1036094152 /nfs/dbraw/zinc/09/41/52/1036094152.db2.gz DOMSLKOKUISWOL-DGCLKSJQSA-N -1 0 347.411 3.880 20 0 EHADRM CC(C)=CCOc1cccc(C(=O)N2CC[C@@](C(=O)[O-])(C(C)C)C2)c1 ZINC000263115415 1036098342 /nfs/dbraw/zinc/09/83/42/1036098342.db2.gz WRVLKJNPRQDTBR-FQEVSTJZSA-N -1 0 345.439 3.605 20 0 EHADRM CCCS(=O)(=O)Nc1ccccc1C(=O)Nc1cc(C)ccc1C ZINC000588835000 1036132544 /nfs/dbraw/zinc/13/25/44/1036132544.db2.gz AATYLEJIAGLOMB-UHFFFAOYSA-N -1 0 346.452 3.707 20 0 EHADRM CCc1ccc(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)c(O)c1 ZINC000190245032 1036211443 /nfs/dbraw/zinc/21/14/43/1036211443.db2.gz PSAUSVZFHSCYKI-UHFFFAOYSA-N -1 0 349.434 3.851 20 0 EHADRM COc1ccc(NC(=O)c2cc(C)ccc2O)c(Br)c1 ZINC000589070798 1036237874 /nfs/dbraw/zinc/23/78/74/1036237874.db2.gz WUIVFJJHEDNHSJ-UHFFFAOYSA-N -1 0 336.185 3.724 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)c2cccnc2C2CC2)s[n-]1 ZINC000545314170 1036296753 /nfs/dbraw/zinc/29/67/53/1036296753.db2.gz JTUZGWNXCRPFOK-UHFFFAOYSA-N -1 0 342.449 3.522 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2cccc(SC(F)F)c2)C1 ZINC000263131483 1036299855 /nfs/dbraw/zinc/29/98/55/1036299855.db2.gz NCDRUFKQPUVOAY-VHSXEESVSA-N -1 0 344.383 3.576 20 0 EHADRM Cc1cc(COc2ccc(-c3nc4cc[nH]cc-4n3)cc2)oc1C(=O)[O-] ZINC000533909203 1036321617 /nfs/dbraw/zinc/32/16/17/1036321617.db2.gz UZGVGZTUKAGVRB-UHFFFAOYSA-N -1 0 349.346 3.804 20 0 EHADRM O=S(=O)([N-]c1nc2cc(Cl)ccc2s1)c1ccccc1F ZINC000589266850 1036331726 /nfs/dbraw/zinc/33/17/26/1036331726.db2.gz IJXRYWMCWASNHJ-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM CC(C)C[C@@H](C)n1nccc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000589269885 1036333412 /nfs/dbraw/zinc/33/34/12/1036333412.db2.gz KDVAQABFDIQEDO-LLVKDONJSA-N -1 0 343.399 3.569 20 0 EHADRM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000464377747 1036392513 /nfs/dbraw/zinc/39/25/13/1036392513.db2.gz VLGDXBHSKGSQBQ-SCSAIBSYSA-N -1 0 342.191 3.674 20 0 EHADRM C[C@@]1(C(=O)Nc2cc(Cl)cc(Br)c2[O-])CCCCO1 ZINC000457684541 1036393564 /nfs/dbraw/zinc/39/35/64/1036393564.db2.gz YVBRHCGKSNAFJL-ZDUSSCGKSA-N -1 0 348.624 3.706 20 0 EHADRM O=C([O-])CCc1cc(F)ccc1-c1cccc(CO[C@H]2CCOC2)c1 ZINC000572781549 1036496313 /nfs/dbraw/zinc/49/63/13/1036496313.db2.gz TUVBWPXQXVQGAA-SFHVURJKSA-N -1 0 344.382 3.815 20 0 EHADRM C[C@H](Oc1ccc(-c2cccc(CO[C@H]3CCOC3)c2)cc1)C(=O)[O-] ZINC000572856977 1036537597 /nfs/dbraw/zinc/53/75/97/1036537597.db2.gz JVCQMJVWWMVULR-LIRRHRJNSA-N -1 0 342.391 3.511 20 0 EHADRM COCc1cc(NC(=O)c2csc3c2CCCC3)cc(C(=O)[O-])c1 ZINC000263160791 1036537483 /nfs/dbraw/zinc/53/74/83/1036537483.db2.gz YQDLDNKTAHLYKZ-UHFFFAOYSA-N -1 0 345.420 3.724 20 0 EHADRM Cc1cccc(Cl)c1NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653542688 1036600988 /nfs/dbraw/zinc/60/09/88/1036600988.db2.gz YNDSXIUWRULTIS-SDDRHHMPSA-N -1 0 338.835 3.905 20 0 EHADRM CCC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1C)c1ccccc1 ZINC000013311789 1036601149 /nfs/dbraw/zinc/60/11/49/1036601149.db2.gz SCTMOWIBVASGPG-MRXNPFEDSA-N -1 0 347.436 3.513 20 0 EHADRM COc1ccc(C[C@H](C)C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cc1 ZINC000263174603 1036603983 /nfs/dbraw/zinc/60/39/83/1036603983.db2.gz GKBQONCKDBRTMJ-KBPBESRZSA-N -1 0 341.407 3.701 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)C2(c3ccc(F)cc3)CC2)c1 ZINC000263209881 1036639992 /nfs/dbraw/zinc/63/99/92/1036639992.db2.gz LHZUAJNLOYDKIE-GFCCVEGCSA-N -1 0 327.355 3.684 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000263218490 1036649187 /nfs/dbraw/zinc/64/91/87/1036649187.db2.gz OOFCVQPXTYQUFI-GXSJLCMTSA-N -1 0 335.400 3.674 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)c1 ZINC000541802647 1036668007 /nfs/dbraw/zinc/66/80/07/1036668007.db2.gz LTCBWBVNOZZANI-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C=Cc2ccnc(Cl)c2)c1 ZINC000493116502 1036724454 /nfs/dbraw/zinc/72/44/54/1036724454.db2.gz JROLEPFQFLAFGS-UTCJRWHESA-N -1 0 330.771 3.685 20 0 EHADRM O=S(=O)([N-]c1cnc2ccccc2n1)c1cccc2ccccc21 ZINC000177089510 1036766095 /nfs/dbraw/zinc/76/60/95/1036766095.db2.gz SMQRLJCFLUPZBM-UHFFFAOYSA-N -1 0 335.388 3.584 20 0 EHADRM CCCC[C@H]1CCC[C@@H]1NC(=O)N=c1[n-]nc(-c2ccco2)s1 ZINC000590135737 1036785416 /nfs/dbraw/zinc/78/54/16/1036785416.db2.gz DLNQDJRDVPZBOG-RYUDHWBXSA-N -1 0 334.445 3.700 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc3ccccc3n2)c1Cl ZINC000539470328 1036787117 /nfs/dbraw/zinc/78/71/17/1036787117.db2.gz MROJJIXFDYIYQH-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM C=Cc1ccc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2CC)cc1 ZINC000666303349 1036790547 /nfs/dbraw/zinc/79/05/47/1036790547.db2.gz KMHJILYIUREIKI-UHFFFAOYSA-N -1 0 333.457 3.545 20 0 EHADRM O=S(=O)(NC1(Cc2ccccc2)CCC1)c1ccc(C(F)F)o1 ZINC000866964792 1036807969 /nfs/dbraw/zinc/80/79/69/1036807969.db2.gz VYOKFLKDAWNTSC-UHFFFAOYSA-N -1 0 341.379 3.661 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@H](C)c2ccsc2)n1 ZINC000669918971 1036824133 /nfs/dbraw/zinc/82/41/33/1036824133.db2.gz PBCIQUPSPQRYGN-LLVKDONJSA-N -1 0 345.399 3.578 20 0 EHADRM Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2ccc(C(=O)[O-])c(C)n2)c1 ZINC000263371750 1036833696 /nfs/dbraw/zinc/83/36/96/1036833696.db2.gz YOTWKAIGTDXQGE-SFHVURJKSA-N -1 0 338.407 3.682 20 0 EHADRM O=S(=O)([N-]c1cccc(Cl)n1)c1cc(Cl)sc1Cl ZINC000162274228 1036834663 /nfs/dbraw/zinc/83/46/63/1036834663.db2.gz RABRKDGWUQXUQS-UHFFFAOYSA-N -1 0 343.644 3.904 20 0 EHADRM C[C@@H](NC(=O)c1cc2sc3ccccc3c2s1)[C@H](C)C(=O)[O-] ZINC000263382022 1036838233 /nfs/dbraw/zinc/83/82/33/1036838233.db2.gz BLPPWYFJTUPUBK-DTWKUNHWSA-N -1 0 333.434 3.955 20 0 EHADRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1O ZINC000590384720 1036848327 /nfs/dbraw/zinc/84/83/27/1036848327.db2.gz AATZSFDEVGPTKG-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM Cc1cc(Nc2cc(Cl)c(C)cc2S(=O)(=O)[O-])cc(C)c1O ZINC001211913928 1036851298 /nfs/dbraw/zinc/85/12/98/1036851298.db2.gz QQHJAMLUISJXCO-UHFFFAOYSA-N -1 0 341.816 3.961 20 0 EHADRM CCOc1cc(C)ccc1CNC(=O)CC1(C(=O)[O-])CCCCCC1 ZINC000464838842 1036855026 /nfs/dbraw/zinc/85/50/26/1036855026.db2.gz YYSAYHRDYJSZIW-UHFFFAOYSA-N -1 0 347.455 3.825 20 0 EHADRM O=C(/C=C\COCC(F)(F)F)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000493195197 1036868351 /nfs/dbraw/zinc/86/83/51/1036868351.db2.gz HSGONPLBVJZXKZ-UPHRSURJSA-N -1 0 344.116 3.773 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])c(Sc2ccccc2)c1 ZINC000263413407 1036880291 /nfs/dbraw/zinc/88/02/91/1036880291.db2.gz HJXXXGVMZKPPHR-KGLIPLIRSA-N -1 0 343.448 3.985 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1cccc(OC2CCCC2)c1 ZINC000539573792 1036921955 /nfs/dbraw/zinc/92/19/55/1036921955.db2.gz KWTBSWSDGOTVRL-UHFFFAOYSA-N -1 0 333.428 3.771 20 0 EHADRM Cc1nc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)sc1C ZINC000177761127 1036928605 /nfs/dbraw/zinc/92/86/05/1036928605.db2.gz CQRWOVAICZUMMC-UHFFFAOYSA-N -1 0 334.825 3.662 20 0 EHADRM COc1cc([C@@H](C)Nc2cccc(C(=O)[O-])n2)ccc1OC(C)C ZINC000263449273 1036935396 /nfs/dbraw/zinc/93/53/96/1036935396.db2.gz ZUFKSRUIZUQTNX-GFCCVEGCSA-N -1 0 330.384 3.749 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)N[C@H](CC(=O)[O-])C1CCCCC1 ZINC000539603537 1036967484 /nfs/dbraw/zinc/96/74/84/1036967484.db2.gz FIKYPIPPHHBWCU-WMLDXEAASA-N -1 0 349.496 3.848 20 0 EHADRM CCc1cccc(S(=O)(=O)Nc2cccc(-c3cnco3)c2)c1 ZINC000176457321 1036967601 /nfs/dbraw/zinc/96/76/01/1036967601.db2.gz XWKLHWBPCZEGNO-UHFFFAOYSA-N -1 0 328.393 3.705 20 0 EHADRM Fc1cccc(CN=c2[n-]nc(Cc3cccc4ccccc43)o2)c1 ZINC000539606740 1036970161 /nfs/dbraw/zinc/97/01/61/1036970161.db2.gz NPKXBSWUOGPJMU-UHFFFAOYSA-N -1 0 333.366 3.987 20 0 EHADRM Nc1c(Cl)cc(-c2cccc(CO[C@@H]3CCOC3)c2)cc1C(=O)[O-] ZINC000519426126 1036974814 /nfs/dbraw/zinc/97/48/14/1036974814.db2.gz FLOMDCHRGNRICM-CQSZACIVSA-N -1 0 347.798 3.593 20 0 EHADRM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)[N-]OCCC(F)(F)F ZINC000162658937 1036989862 /nfs/dbraw/zinc/98/98/62/1036989862.db2.gz JDZQSVCVMAHJQH-LLVKDONJSA-N -1 0 333.350 3.752 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263519720 1037033591 /nfs/dbraw/zinc/03/35/91/1037033591.db2.gz GOTRJLWIQWKUJA-INIZCTEOSA-N -1 0 343.423 3.917 20 0 EHADRM O=C([O-])CCc1cccc(NCc2c(C3CC3)nc3sccn23)c1 ZINC000263528344 1037042119 /nfs/dbraw/zinc/04/21/19/1037042119.db2.gz VEJNZUJQCHLVGL-UHFFFAOYSA-N -1 0 341.436 3.903 20 0 EHADRM O=S(=O)([N-]c1ccccc1C(F)(F)F)c1cccc(F)c1F ZINC000176582313 1037053258 /nfs/dbraw/zinc/05/32/58/1037053258.db2.gz LNVNGKAWGQLJGB-UHFFFAOYSA-N -1 0 337.269 3.784 20 0 EHADRM CCC(CC)c1nnc([N-]S(=O)(=O)c2cc(C)ccc2F)s1 ZINC000176594905 1037070243 /nfs/dbraw/zinc/07/02/43/1037070243.db2.gz HMNCREDDEGBQCX-UHFFFAOYSA-N -1 0 343.449 3.690 20 0 EHADRM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1cccc(-c2nccs2)c1 ZINC000319951811 1037092049 /nfs/dbraw/zinc/09/20/49/1037092049.db2.gz HNOAZVOSNDPNFK-KGLIPLIRSA-N -1 0 330.409 3.640 20 0 EHADRM c1coc(-c2n[n-]c(=NCc3cccc(OCc4ccccc4)c3)o2)c1 ZINC000539708270 1037095547 /nfs/dbraw/zinc/09/55/47/1037095547.db2.gz KUNYRGSLNFOMCZ-UHFFFAOYSA-N -1 0 347.374 3.943 20 0 EHADRM CC(C)Cc1n[n-]c(=NCc2ccc(-c3ccncc3)cc2F)s1 ZINC000539707738 1037096807 /nfs/dbraw/zinc/09/68/07/1037096807.db2.gz NEICWXZXKLYUJK-UHFFFAOYSA-N -1 0 342.443 3.972 20 0 EHADRM CCc1n[n-]c(=NCc2ccc(-c3ccccc3OC)cc2)s1 ZINC000539709813 1037102331 /nfs/dbraw/zinc/10/23/31/1037102331.db2.gz XFRRFXCSOPWOJN-UHFFFAOYSA-N -1 0 325.437 3.810 20 0 EHADRM CC(=O)c1nc(N[C@@H](CCC(=O)[O-])Cc2ccccc2)sc1C ZINC000263555121 1037126041 /nfs/dbraw/zinc/12/60/41/1037126041.db2.gz NSOWDNUZGGGXOU-AWEZNQCLSA-N -1 0 332.425 3.542 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)NCCCCC(=O)[O-])c1ccc(F)cc1 ZINC000666517600 1037174901 /nfs/dbraw/zinc/17/49/01/1037174901.db2.gz VZSYYVAUAVOYCZ-OAHLLOKOSA-N -1 0 338.423 3.857 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc(F)c(F)c([O-])c2F)[C@H]2CCCC[C@H]12 ZINC000544509285 1037175822 /nfs/dbraw/zinc/17/58/22/1037175822.db2.gz ZIFRJVYGBOHSQG-BREBYQMCSA-N -1 0 327.346 3.850 20 0 EHADRM CC(=O)Nc1cccc(N=c2[n-]nc(S[C@@H](C)C(C)C)s2)c1 ZINC000591039184 1037196904 /nfs/dbraw/zinc/19/69/04/1037196904.db2.gz GONFOSMHEYJPAZ-JTQLQIEISA-N -1 0 336.486 3.799 20 0 EHADRM O=C([O-])CCCCNC(=O)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000666562925 1037211127 /nfs/dbraw/zinc/21/11/27/1037211127.db2.gz XMGPCGLGSYGKGN-KURKYZTESA-N -1 0 344.455 3.609 20 0 EHADRM Cc1ccccc1[C@H](C)N(C)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000666566822 1037214387 /nfs/dbraw/zinc/21/43/87/1037214387.db2.gz WYWRFJMOJBRDBV-AWEZNQCLSA-N -1 0 326.396 3.596 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)N2CC3(CCC3)c3ccccc32)c1 ZINC000666567365 1037215121 /nfs/dbraw/zinc/21/51/21/1037215121.db2.gz PBOGCQJUUFBQJN-UHFFFAOYSA-N -1 0 336.391 3.536 20 0 EHADRM CCc1cccc(N(C)C(=O)c2nn(-c3cccc(F)c3)cc2[O-])c1 ZINC001626007360 1037225116 /nfs/dbraw/zinc/22/51/16/1037225116.db2.gz VYZWQLJPBNHMGJ-UHFFFAOYSA-N -1 0 339.370 3.556 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000303231546 1037255383 /nfs/dbraw/zinc/25/53/83/1037255383.db2.gz YNZFSBBDCWRFOI-UHFFFAOYSA-N -1 0 333.306 3.954 20 0 EHADRM CCCOCCOc1cccc(-c2cc(F)ccc2CC(=O)[O-])c1 ZINC000519716101 1037277162 /nfs/dbraw/zinc/27/71/62/1037277162.db2.gz UVTDPPKIFWXGPX-UHFFFAOYSA-N -1 0 332.371 3.925 20 0 EHADRM Cc1ccccc1OCCN(C)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000176979668 1037302083 /nfs/dbraw/zinc/30/20/83/1037302083.db2.gz RSZNNCFQRLWTAY-UHFFFAOYSA-N -1 0 337.778 3.644 20 0 EHADRM CO[C@@H](C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)C1CCCCC1 ZINC000659136612 1037346987 /nfs/dbraw/zinc/34/69/87/1037346987.db2.gz OHWHSZDAIPTYAN-MRXNPFEDSA-N -1 0 333.428 3.583 20 0 EHADRM C[C@@H](C(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000163809450 1037360431 /nfs/dbraw/zinc/36/04/31/1037360431.db2.gz OUNJBGJBLOFPGD-SNVBAGLBSA-N -1 0 337.206 3.558 20 0 EHADRM CC(C)(C)n1cnc(=NC(=O)N2CCCCC[C@@H]2c2ccccc2)[n-]1 ZINC000542436975 1037379688 /nfs/dbraw/zinc/37/96/88/1037379688.db2.gz JQOVBSLQEATHGK-MRXNPFEDSA-N -1 0 341.459 3.604 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC000659147839 1037379689 /nfs/dbraw/zinc/37/96/89/1037379689.db2.gz SKEZEMDHSVOZSD-DLBZAZTESA-N -1 0 339.391 3.752 20 0 EHADRM CCOC(=O)c1[n-]c(NC(=O)c2cccc(C3CCC3)c2)nc1Cl ZINC001626429623 1037385426 /nfs/dbraw/zinc/38/54/26/1037385426.db2.gz HFTJRRJTAGNYCF-UHFFFAOYSA-N -1 0 347.802 3.760 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000659155165 1037389562 /nfs/dbraw/zinc/38/95/62/1037389562.db2.gz ZOBFPRCPWGZCFB-UAGQMJEPSA-N -1 0 339.391 3.695 20 0 EHADRM Cc1ccc(F)cc1C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000058037832 1037395977 /nfs/dbraw/zinc/39/59/77/1037395977.db2.gz HNWDEVHPLYMQTH-UHFFFAOYSA-N -1 0 345.395 3.756 20 0 EHADRM Cc1cc(C)c(CN=c2[n-]nc(-c3ccccc3Cl)s2)c(=O)[nH]1 ZINC000542467993 1037397843 /nfs/dbraw/zinc/39/78/43/1037397843.db2.gz HDWNFLBDSSZNNZ-UHFFFAOYSA-N -1 0 346.843 3.610 20 0 EHADRM C[C@H](NC(=O)c1cc(F)c([O-])c(F)c1)c1nc(C(C)(C)C)cs1 ZINC000177152057 1037401533 /nfs/dbraw/zinc/40/15/33/1037401533.db2.gz VJKYRGOJWDZWJH-QMMMGPOBSA-N -1 0 340.395 3.915 20 0 EHADRM CC(C)Nc1ccc(Cl)cc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000659167895 1037404611 /nfs/dbraw/zinc/40/46/11/1037404611.db2.gz RECSHMHZTBUXCR-UHFFFAOYSA-N -1 0 326.824 3.990 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2cc(C)c(C)cc2Cl)n1 ZINC000659181661 1037433436 /nfs/dbraw/zinc/43/34/36/1037433436.db2.gz BMIRNFUIWLETBU-AWEZNQCLSA-N -1 0 349.818 3.831 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)C[C@H](C)c2cccc(F)c2)n1 ZINC000659186096 1037438348 /nfs/dbraw/zinc/43/83/48/1037438348.db2.gz FWXRUKPWMGJAAY-WFASDCNBSA-N -1 0 347.390 3.580 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)NCC1CCC(F)CC1 ZINC000647610061 1037440977 /nfs/dbraw/zinc/44/09/77/1037440977.db2.gz ASTPFAFKNKWQSV-KMZOKZLKSA-N -1 0 348.418 3.515 20 0 EHADRM CCC[C@H](NC(=O)N=c1[n-]nc(C(CC)CC)s1)c1ccccn1 ZINC000591482305 1037443846 /nfs/dbraw/zinc/44/38/46/1037443846.db2.gz DNUIFHDXSKTDNE-AWEZNQCLSA-N -1 0 347.488 3.922 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)CC/C=C/c2ccccc2)n1 ZINC000659186332 1037451466 /nfs/dbraw/zinc/45/14/66/1037451466.db2.gz HQPIGTZMUSZMNL-HKUPYCBJSA-N -1 0 341.411 3.741 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2sccc2C(C)C)n1 ZINC000659187470 1037452309 /nfs/dbraw/zinc/45/23/09/1037452309.db2.gz PTYZBSGNQAVLDW-LBPRGKRZSA-N -1 0 335.429 3.746 20 0 EHADRM COc1ccc(Cl)cc1CNC(=O)c1ccc([O-])c(Cl)c1 ZINC000053574553 1037454030 /nfs/dbraw/zinc/45/40/30/1037454030.db2.gz GWBCMOXILBATAJ-UHFFFAOYSA-N -1 0 326.179 3.638 20 0 EHADRM c1ccc(-c2nc(=N[C@@H]3CCCN(c4ccccc4)C3)s[n-]2)cc1 ZINC000462848803 1037463890 /nfs/dbraw/zinc/46/38/90/1037463890.db2.gz WWAIASGQBXOFCN-MRXNPFEDSA-N -1 0 336.464 3.708 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)C1(C)C ZINC000659194912 1037464820 /nfs/dbraw/zinc/46/48/20/1037464820.db2.gz NKZWIHVSIDLGIP-BPKGMFCQSA-N -1 0 333.472 3.717 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NC[C@H](CC(=O)[O-])C2CC2)c1 ZINC000659207930 1037490069 /nfs/dbraw/zinc/49/00/69/1037490069.db2.gz VWMAEBZJVPOYKA-HOCLYGCPSA-N -1 0 347.455 3.503 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnn([C@H](C)C3CC3)c2)c(Cl)c1 ZINC000187731744 1037498721 /nfs/dbraw/zinc/49/87/21/1037498721.db2.gz CCBRXYOPMVAKNS-LLVKDONJSA-N -1 0 339.848 3.617 20 0 EHADRM Cc1c(C(=O)N[C@H]2CCC[C@@]2(C)C(=O)[O-])oc2c1c(C)ccc2C ZINC000659233927 1037557777 /nfs/dbraw/zinc/55/77/77/1037557777.db2.gz DLQOVROWQRINEX-ORAYPTAESA-N -1 0 329.396 3.731 20 0 EHADRM O=C(CSc1n[n-]c(=S)s1)NCCCCC1CCCC1 ZINC000176478867 1037561061 /nfs/dbraw/zinc/56/10/61/1037561061.db2.gz BXXAGCMJYRVIJT-UHFFFAOYSA-N -1 0 331.532 3.769 20 0 EHADRM COc1ccc(CCCCCC(=O)N[C@H]2CCC[C@]2(C)C(=O)[O-])cc1 ZINC000659237255 1037565698 /nfs/dbraw/zinc/56/56/98/1037565698.db2.gz JMSHWTZAIPZQKX-PXNSSMCTSA-N -1 0 347.455 3.558 20 0 EHADRM O=C([O-])C1CCC(C(=O)NCc2cccc(Cl)c2Cl)CC1 ZINC000659248439 1037578932 /nfs/dbraw/zinc/57/89/32/1037578932.db2.gz JRPXZLOXTHBVDJ-UHFFFAOYSA-N -1 0 330.211 3.501 20 0 EHADRM CC[C@H]1Cc2ccccc2CN1C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000573614023 1037630643 /nfs/dbraw/zinc/63/06/43/1037630643.db2.gz QNGULPXAQHVDPE-JMLCCBQJSA-N -1 0 329.440 3.631 20 0 EHADRM C[C@H](NC(=O)N=c1ncn(C2CCCCC2)[n-]1)c1ccccc1Cl ZINC000573647272 1037670048 /nfs/dbraw/zinc/67/00/48/1037670048.db2.gz CWQKJNJAXVIPHT-LBPRGKRZSA-N -1 0 347.850 3.741 20 0 EHADRM CCc1cnccc1[C@H](C)NC(=O)c1cccc(Br)c1[O-] ZINC000540198007 1037692549 /nfs/dbraw/zinc/69/25/49/1037692549.db2.gz XFRFAGZDEHQERE-JTQLQIEISA-N -1 0 349.228 3.603 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@H](c2ccccc2)C(C)(C)C)s1 ZINC000509663635 1037740203 /nfs/dbraw/zinc/74/02/03/1037740203.db2.gz KQINHXQZNREUHT-CQSZACIVSA-N -1 0 332.473 3.821 20 0 EHADRM Cc1nnc(-c2ccc(NC(=O)c3cc(F)cc(Cl)c3[O-])cc2)o1 ZINC000152838350 1037752468 /nfs/dbraw/zinc/75/24/68/1037752468.db2.gz CYPKXHOIORPHKO-UHFFFAOYSA-N -1 0 347.733 3.795 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000669434086 1037814996 /nfs/dbraw/zinc/81/49/96/1037814996.db2.gz INTKJBYTPWZQIN-KFWWJZLASA-N -1 0 341.432 3.765 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)/C=C\c2ccc3ccccc3n2)c1 ZINC000491982496 1037816700 /nfs/dbraw/zinc/81/67/00/1037816700.db2.gz JKKSSRPTFJETBP-QXMHVHEDSA-N -1 0 346.386 3.904 20 0 EHADRM CCc1ccc(C(=O)[C@H](C)Sc2n[n-]c(=NCC(C)C)s2)cc1 ZINC000592088963 1037830859 /nfs/dbraw/zinc/83/08/59/1037830859.db2.gz GEMHMHDVCMCOGU-LBPRGKRZSA-N -1 0 349.525 3.954 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCc2cccc(F)c2F)c2ccccc21 ZINC000669436058 1037866190 /nfs/dbraw/zinc/86/61/90/1037866190.db2.gz WWVWLEMVXQWUNS-CQSZACIVSA-N -1 0 345.345 3.503 20 0 EHADRM COc1cc([C@H](C)[N-]C(=O)C(F)(F)F)ccc1OCCC(C)C ZINC000725886842 1037896610 /nfs/dbraw/zinc/89/66/10/1037896610.db2.gz OXTNZHYARJFVTR-NSHDSACASA-N -1 0 333.350 3.860 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)c(C)c1 ZINC000303957217 1037901160 /nfs/dbraw/zinc/90/11/60/1037901160.db2.gz LBQSMTDCYBFSFD-UHFFFAOYSA-N -1 0 345.342 3.845 20 0 EHADRM Cc1c(C(=O)[O-])sc2ncnc(NC[C@@H](C)CC(F)(F)F)c12 ZINC000396967849 1037962323 /nfs/dbraw/zinc/96/23/23/1037962323.db2.gz XWWBNJJSMCGZFU-LURJTMIESA-N -1 0 333.335 3.698 20 0 EHADRM COC[C@H](C)Sc1n[n-]c(=Nc2ccc(C)c(Cl)c2)s1 ZINC000463279657 1037962831 /nfs/dbraw/zinc/96/28/31/1037962831.db2.gz QCZRJABNXWRNEU-VIFPVBQESA-N -1 0 329.878 3.792 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)/C=C\c2cscn2)c1 ZINC000492115313 1037996648 /nfs/dbraw/zinc/99/66/48/1037996648.db2.gz FEUQMZKPCZUSDY-PLNGDYQASA-N -1 0 348.449 3.503 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N2CCC[C@H]2c2cccs2)cc1 ZINC000492119813 1038001477 /nfs/dbraw/zinc/00/14/77/1038001477.db2.gz RGJLCULNRPDDPV-XMELGKRDSA-N -1 0 327.405 3.823 20 0 EHADRM O=S(=O)([N-]c1ccccn1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000188028042 1038006708 /nfs/dbraw/zinc/00/67/08/1038006708.db2.gz YEXOJVKJXAXUAV-UHFFFAOYSA-N -1 0 336.722 3.555 20 0 EHADRM C[C@@]([N-]S(=O)(=O)c1ccc(F)cc1)(c1ccccc1)C(F)(F)F ZINC000463381411 1038084860 /nfs/dbraw/zinc/08/48/60/1038084860.db2.gz NEVRWAKBMXQJOD-CQSZACIVSA-N -1 0 347.333 3.582 20 0 EHADRM C[C@@]([N-]S(=O)(=O)c1ccccc1F)(c1ccccc1)C(F)(F)F ZINC000463377733 1038098677 /nfs/dbraw/zinc/09/86/77/1038098677.db2.gz WOESXWJSGWJHIE-CQSZACIVSA-N -1 0 347.333 3.582 20 0 EHADRM CN(Cc1c(F)cccc1Cl)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000321690314 1038338680 /nfs/dbraw/zinc/33/86/80/1038338680.db2.gz YDTIECUPADBVCT-UHFFFAOYSA-N -1 0 341.810 3.863 20 0 EHADRM CCC1CCC(N(C(=O)c2ccc3oc(=O)nc-3[n-]2)C2CC2)CC1 ZINC000667114511 1038425774 /nfs/dbraw/zinc/42/57/74/1038425774.db2.gz FMBJJFDOBIHGBK-UHFFFAOYSA-N -1 0 329.400 3.502 20 0 EHADRM CC1(C)Cc2cccc(CN=c3[n-]nc(C4CCCCC4)o3)c2O1 ZINC000538608390 1038433253 /nfs/dbraw/zinc/43/32/53/1038433253.db2.gz PWPSTWCVTBLENB-UHFFFAOYSA-N -1 0 327.428 3.865 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1[C@@H](C)CC[C@H]1C(=O)[O-] ZINC000653317202 1038521509 /nfs/dbraw/zinc/52/15/09/1038521509.db2.gz NLNQTHCBFLVJOV-BHDSKKPTSA-N -1 0 344.238 3.636 20 0 EHADRM CCCC[C@H](C)N(C)C(=O)c1nn(-c2ccccc2CC)cc1[O-] ZINC000461618793 1038539166 /nfs/dbraw/zinc/53/91/66/1038539166.db2.gz LDAGRFZXIRFQKX-AWEZNQCLSA-N -1 0 329.444 3.791 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N[C@@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000455917740 1038543610 /nfs/dbraw/zinc/54/36/10/1038543610.db2.gz IQYGDCPELHMBMS-XJKSGUPXSA-N -1 0 343.423 3.773 20 0 EHADRM CC(C)c1cc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])n(C)n1 ZINC000538831073 1038555734 /nfs/dbraw/zinc/55/57/34/1038555734.db2.gz FBJPHTVHPDZNIV-UHFFFAOYSA-N -1 0 328.199 3.808 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)N=c1cc(C(F)(F)F)[n-][nH]1 ZINC000461836443 1038624530 /nfs/dbraw/zinc/62/45/30/1038624530.db2.gz WILGZDKRTLTUCO-UHFFFAOYSA-N -1 0 349.765 3.868 20 0 EHADRM O=C([O-])[C@H]1CCCN1c1nc(-c2ccccc2C(F)(F)F)cs1 ZINC000416398484 1038631323 /nfs/dbraw/zinc/63/13/23/1038631323.db2.gz FACWDRRKNXVLDZ-GFCCVEGCSA-N -1 0 342.342 3.882 20 0 EHADRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cnc3n[nH]c(C)c3c2)cc1 ZINC000539231809 1038732112 /nfs/dbraw/zinc/73/21/12/1038732112.db2.gz PBNSABBNRLCVQP-LLVKDONJSA-N -1 0 344.440 3.581 20 0 EHADRM C[C@]1(NC(=O)c2ccc(-c3ccc(F)cc3)o2)CCCC[C@@H]1C(=O)[O-] ZINC000431886303 1038757640 /nfs/dbraw/zinc/75/76/40/1038757640.db2.gz DBQOUBWCFRKVHD-KUHUBIRLSA-N -1 0 345.370 3.849 20 0 EHADRM COc1ccc(CN=c2[n-]nc(C3CC3)s2)cc1OCCC(C)C ZINC000554000916 1038776529 /nfs/dbraw/zinc/77/65/29/1038776529.db2.gz MULLLVISAJLJFL-UHFFFAOYSA-N -1 0 347.484 3.883 20 0 EHADRM CCc1ccc(N(CC(C)C)C(=O)c2ccoc2CC(=O)[O-])cc1 ZINC000910243156 1038783622 /nfs/dbraw/zinc/78/36/22/1038783622.db2.gz VGFOAPQFPVSHSE-UHFFFAOYSA-N -1 0 329.396 3.772 20 0 EHADRM CCc1c2ccccc2oc1C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC000910239474 1038785237 /nfs/dbraw/zinc/78/52/37/1038785237.db2.gz KZJPWFRYEGHKDW-KBMXLJTQSA-N -1 0 341.407 3.711 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000910254960 1038792094 /nfs/dbraw/zinc/79/20/94/1038792094.db2.gz UYDFFOUWRYZVOK-BBWFWOEESA-N -1 0 333.403 3.770 20 0 EHADRM O=C([O-])C12CCC(C(=O)NCC3(C(F)(F)F)CCCC3)(CC1)CC2 ZINC000910255566 1038792412 /nfs/dbraw/zinc/79/24/12/1038792412.db2.gz SGQXPFRXIRRMFP-UHFFFAOYSA-N -1 0 347.377 3.651 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cnc(-c2cccnc2)s1 ZINC000554044439 1038820708 /nfs/dbraw/zinc/82/07/08/1038820708.db2.gz QOIZBUFCHGKOLD-UHFFFAOYSA-N -1 0 349.774 3.956 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(c2ncnc3scc(-c4cccs4)c32)C1 ZINC000910312194 1038821087 /nfs/dbraw/zinc/82/10/87/1038821087.db2.gz HAJIHUQHZAKGAX-INIZCTEOSA-N -1 0 345.449 3.721 20 0 EHADRM CC[C@@H]1C[C@@H](C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)CCO1 ZINC000910359546 1038857487 /nfs/dbraw/zinc/85/74/87/1038857487.db2.gz CYDBPCFOOREYJH-DZGCQCFKSA-N -1 0 327.380 3.682 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CC1CCSCC1)c1ccccc1Cl ZINC000910404638 1038886526 /nfs/dbraw/zinc/88/65/26/1038886526.db2.gz WWMFVEGFFZEIRA-CQSZACIVSA-N -1 0 341.860 3.505 20 0 EHADRM Cc1sc2nc(C)nc(N[C@@H]3C[C@@H]4C[C@@H](C(=O)[O-])C[C@H]34)c2c1C ZINC000910385301 1038888988 /nfs/dbraw/zinc/88/89/88/1038888988.db2.gz IWUQRCNMTZPVQS-QNWHQSFQSA-N -1 0 331.441 3.528 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])C2CCCCC2)c(Cl)cc1F ZINC000554084326 1038894381 /nfs/dbraw/zinc/89/43/81/1038894381.db2.gz DDRSDIASFSNXKZ-HNNXBMFYSA-N -1 0 341.810 3.941 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2cnc(C(C)(C)C)nc2)cc1 ZINC000063850189 1038910844 /nfs/dbraw/zinc/91/08/44/1038910844.db2.gz RCNQVOCSLNMZFV-UHFFFAOYSA-N -1 0 333.457 3.527 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N(CCC(=O)[O-])C3CC3)o2)cc1 ZINC000236984724 1038917369 /nfs/dbraw/zinc/91/73/69/1038917369.db2.gz LHJVNUWVPMLVQG-UHFFFAOYSA-N -1 0 327.380 3.588 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN(C(=O)C1(Cc3ccccc3)CCC1)C2 ZINC000910499889 1038947341 /nfs/dbraw/zinc/94/73/41/1038947341.db2.gz ZEPBCGSXURAYGE-UHFFFAOYSA-N -1 0 349.430 3.683 20 0 EHADRM CC(C)c1occc1C(=O)N=c1nc(Cc2ccccc2)[n-]s1 ZINC000479989502 1038980118 /nfs/dbraw/zinc/98/01/18/1038980118.db2.gz LLPDGUVCKAMLRI-UHFFFAOYSA-N -1 0 327.409 3.520 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)C[C@H]1CCO[C@H](C(C)C)C1 ZINC000910623043 1038990382 /nfs/dbraw/zinc/99/03/82/1038990382.db2.gz ZSDXLPYULRCODN-BBRMVZONSA-N -1 0 349.427 3.563 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CC2(CCC2)[C@H]1c1cccnc1 ZINC000898406994 1038993167 /nfs/dbraw/zinc/99/31/67/1038993167.db2.gz XXJPDXYYFOWROB-MRXNPFEDSA-N -1 0 328.799 3.808 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1cc(Cl)cc(C)c1O ZINC000488238554 1038993351 /nfs/dbraw/zinc/99/33/51/1038993351.db2.gz ZVZGXAFSOYIDGD-UHFFFAOYSA-N -1 0 325.817 3.717 20 0 EHADRM CCCCn1ncc(NC(=O)c2cc(C)c(C(=O)[O-])o2)c1C(C)C ZINC000910656639 1039005671 /nfs/dbraw/zinc/00/56/71/1039005671.db2.gz NTMUJQXJFNJSFR-UHFFFAOYSA-N -1 0 333.388 3.659 20 0 EHADRM O=C([O-])C1CCC(CC(=O)Nc2nc3ccccc3n2C2CC2)CC1 ZINC000910708250 1039017322 /nfs/dbraw/zinc/01/73/22/1039017322.db2.gz SSSIZLOAOKRFTG-UHFFFAOYSA-N -1 0 341.411 3.591 20 0 EHADRM CC(C)c1sc(NC(=O)c2ccnn2C2CCCC2)nc1C(=O)[O-] ZINC000910697206 1039025852 /nfs/dbraw/zinc/02/58/52/1039025852.db2.gz NUMGPZSINZWPAU-UHFFFAOYSA-N -1 0 348.428 3.529 20 0 EHADRM COCC1(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)CCCCC1 ZINC000910705604 1039026614 /nfs/dbraw/zinc/02/66/14/1039026614.db2.gz KVCRJXMLJOOKLN-UHFFFAOYSA-N -1 0 340.445 3.500 20 0 EHADRM CC(C)c1sc(NC(=O)Cc2ccc(Cl)s2)nc1C(=O)[O-] ZINC000910706300 1039027624 /nfs/dbraw/zinc/02/76/24/1039027624.db2.gz RKLAXYBYMHMCHC-UHFFFAOYSA-N -1 0 344.845 3.861 20 0 EHADRM Cc1cc(C)c(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)c(C)c1 ZINC000910734764 1039040921 /nfs/dbraw/zinc/04/09/21/1039040921.db2.gz WBIPRWWNESGBOY-UHFFFAOYSA-N -1 0 330.409 3.896 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)/C=C/C2CCCC2)nc1C(=O)[O-] ZINC000910717684 1039055668 /nfs/dbraw/zinc/05/56/68/1039055668.db2.gz FSEVOVVZMVUTIS-MMQHEFTJSA-N -1 0 334.441 3.560 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)C[C@@H](C)c2ccco2)nc1C(=O)[O-] ZINC000910717112 1039055897 /nfs/dbraw/zinc/05/58/97/1039055897.db2.gz BXBKQBFZARAFFF-ZYHUDNBSSA-N -1 0 348.424 3.600 20 0 EHADRM COc1cc(C)cc(NC(=O)N=c2nc(C(C)(C)C)[n-]s2)c1C ZINC000488304760 1039083263 /nfs/dbraw/zinc/08/32/63/1039083263.db2.gz YGMFSIWXTVXBRA-UHFFFAOYSA-N -1 0 334.445 3.527 20 0 EHADRM CC(C)(CCCc1ccccc1)C(=O)NCc1ncc(C(=O)[O-])s1 ZINC000910819484 1039093612 /nfs/dbraw/zinc/09/36/12/1039093612.db2.gz DIFJSIUIDQCYAH-UHFFFAOYSA-N -1 0 346.452 3.507 20 0 EHADRM CCn1c(C(=O)N2CCCC[C@H]2CCC(=O)[O-])cc2ccccc21 ZINC000237197368 1039110709 /nfs/dbraw/zinc/11/07/09/1039110709.db2.gz ZRNHYYFOOMMBSS-HNNXBMFYSA-N -1 0 328.412 3.521 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2Cl)cc1 ZINC000500648792 1039115926 /nfs/dbraw/zinc/11/59/26/1039115926.db2.gz IUTBVVQJNUKRSD-NEPJUHHUSA-N -1 0 333.746 3.920 20 0 EHADRM C[C@H](C1CC1)n1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cn1 ZINC000488387517 1039136216 /nfs/dbraw/zinc/13/62/16/1039136216.db2.gz IODRFJIHBCELHD-CYBMUJFWSA-N -1 0 347.484 3.952 20 0 EHADRM C[C@@H](CC(=O)N(CCC(=O)[O-])C1CC1)c1ccccc1C(F)(F)F ZINC000237306086 1039138356 /nfs/dbraw/zinc/13/83/56/1039138356.db2.gz BUYCCVOFYYJYPK-NSHDSACASA-N -1 0 343.345 3.665 20 0 EHADRM CCn1cn[n-]c1=NC(=O)c1cc(C)c(-c2cccc(Cl)c2)s1 ZINC000552325923 1039180538 /nfs/dbraw/zinc/18/05/38/1039180538.db2.gz KTAUMLZQWSSRHU-UHFFFAOYSA-N -1 0 346.843 3.663 20 0 EHADRM O=C([O-])c1ccccc1CC1CCN(c2ccnc3cccnc32)CC1 ZINC000570166400 1039191828 /nfs/dbraw/zinc/19/18/28/1039191828.db2.gz OLLBMLNKADPCFN-UHFFFAOYSA-N -1 0 347.418 3.787 20 0 EHADRM C[C@]1(Cc2cccs2)CCCN1C(=O)c1cccc(CC(=O)[O-])c1 ZINC000911063568 1039220979 /nfs/dbraw/zinc/22/09/79/1039220979.db2.gz ZKHQKFOXTFCMQZ-LJQANCHMSA-N -1 0 343.448 3.613 20 0 EHADRM C/C(=C/C(=O)N(CCCC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC000236620497 1039228514 /nfs/dbraw/zinc/22/85/14/1039228514.db2.gz OAFAXDUDEZTOST-ICFOKQHNSA-N -1 0 337.419 3.984 20 0 EHADRM CC(C)(CCC(=O)[O-])C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000911094071 1039229259 /nfs/dbraw/zinc/22/92/59/1039229259.db2.gz HUUBRMYOIWGWRR-UHFFFAOYSA-N -1 0 326.396 3.502 20 0 EHADRM CCNc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(C2CC2)nc1C ZINC000911085197 1039237908 /nfs/dbraw/zinc/23/79/08/1039237908.db2.gz NWCDODZQLSHKCI-UHFFFAOYSA-N -1 0 339.395 3.650 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)/C=C/c1ccc2ccc(Cl)cc2n1 ZINC000236842239 1039266345 /nfs/dbraw/zinc/26/63/45/1039266345.db2.gz OGVPYCLILPZLMW-BQYQJAHWSA-N -1 0 346.814 3.661 20 0 EHADRM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1onc(C2CC2)c1Cl ZINC000906065717 1039274395 /nfs/dbraw/zinc/27/43/95/1039274395.db2.gz VRKQYUXCEZWNIR-UHFFFAOYSA-N -1 0 347.223 3.968 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cn1 ZINC000488579717 1039282099 /nfs/dbraw/zinc/28/20/99/1039282099.db2.gz SWRPWLPFCZKNNS-UHFFFAOYSA-N -1 0 331.224 3.752 20 0 EHADRM CCN(Cc1cccs1)C(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000236987853 1039290395 /nfs/dbraw/zinc/29/03/95/1039290395.db2.gz GBKRXRJHPAJVCW-LBPRGKRZSA-N -1 0 349.477 3.976 20 0 EHADRM O=S(=O)([N-]c1cnc2ccccc2c1)c1cc(F)cc(Cl)c1 ZINC000565434796 1039296345 /nfs/dbraw/zinc/29/63/45/1039296345.db2.gz NGYZLBVCRAZMAS-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM CC[C@H](C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC000237085927 1039305019 /nfs/dbraw/zinc/30/50/19/1039305019.db2.gz XSNREKKBZDZSCS-XBFCOCLRSA-N -1 0 343.345 3.569 20 0 EHADRM O=S(=O)([N-]c1ncccc1F)c1c(Cl)ccc2ccccc21 ZINC000480209244 1039310228 /nfs/dbraw/zinc/31/02/28/1039310228.db2.gz YRTAZNMVIRHHLH-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM CC/C=C(\C)C(=O)N(Cc1ccoc1C(=O)[O-])[C@H](C)c1ccccn1 ZINC000911329081 1039323175 /nfs/dbraw/zinc/32/31/75/1039323175.db2.gz CGLRZJBQTDMJRC-WTWVRAIASA-N -1 0 342.395 3.819 20 0 EHADRM Cc1ccccc1C(NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-])c1ccccc1C ZINC000911490762 1039388002 /nfs/dbraw/zinc/38/80/02/1039388002.db2.gz HROFYUVBYOKIRE-MSOLQXFVSA-N -1 0 337.419 3.620 20 0 EHADRM O=S(=O)([N-]c1cccc(-n2cccc2)c1)c1ccc(Cl)s1 ZINC000074829595 1039391360 /nfs/dbraw/zinc/39/13/60/1039391360.db2.gz HPENXEGIEKHEOD-UHFFFAOYSA-N -1 0 338.841 3.993 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000237656230 1039403983 /nfs/dbraw/zinc/40/39/83/1039403983.db2.gz OQYWHDJTPMEMBM-KURKYZTESA-N -1 0 341.382 3.570 20 0 EHADRM COCCCCN(C)C(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000911548601 1039406924 /nfs/dbraw/zinc/40/69/24/1039406924.db2.gz NGZQQNLCUYSYSB-UHFFFAOYSA-N -1 0 341.407 3.550 20 0 EHADRM O=C([O-])[C@H]1[C@@H]2c3cccc(-c4ccc(C(F)(F)F)cc4CO)c3C[C@H]12 ZINC000906251172 1039411076 /nfs/dbraw/zinc/41/10/76/1039411076.db2.gz RXKNOKCYJJPEIP-GVDBMIGSSA-N -1 0 348.320 3.835 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC000911572988 1039417866 /nfs/dbraw/zinc/41/78/66/1039417866.db2.gz ODVNSRMEVMZTDN-TXVKYFBMSA-N -1 0 347.430 3.859 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)o1 ZINC000911570379 1039418442 /nfs/dbraw/zinc/41/84/42/1039418442.db2.gz IBXQNDKABZKVOB-VVDJSUPNSA-N -1 0 343.354 3.583 20 0 EHADRM CC1(CC(F)(F)F)CN(C(=O)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000584664338 1039419238 /nfs/dbraw/zinc/41/92/38/1039419238.db2.gz CLXSZMXWSLTBTL-UHFFFAOYSA-N -1 0 341.251 3.826 20 0 EHADRM CCC[C@H](CC)C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000911598117 1039426876 /nfs/dbraw/zinc/42/68/76/1039426876.db2.gz IUIMJAUDJXSWCX-AWEZNQCLSA-N -1 0 332.444 3.614 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N[C@](C)(CC(=O)[O-])c2ccncc2)s1 ZINC000911621157 1039438562 /nfs/dbraw/zinc/43/85/62/1039438562.db2.gz RLKKLXMLOBVKSX-GOSISDBHSA-N -1 0 346.452 3.561 20 0 EHADRM CC[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccncc1)c1ccc(C)cc1 ZINC000911660071 1039442527 /nfs/dbraw/zinc/44/25/27/1039442527.db2.gz UMZROGSYWDHVKR-YJBOKZPZSA-N -1 0 340.423 3.606 20 0 EHADRM Cc1cc(F)c(NC(=O)C2([C@H]3CCCCO3)CCC2)cc1C(=O)[O-] ZINC000911687805 1039459738 /nfs/dbraw/zinc/45/97/38/1039459738.db2.gz HGOONAMLFHGADA-OAHLLOKOSA-N -1 0 335.375 3.510 20 0 EHADRM CC(C)Oc1c(NC(=O)CCc2cccs2)cccc1C(=O)[O-] ZINC000911738790 1039480378 /nfs/dbraw/zinc/48/03/78/1039480378.db2.gz HYADNZSHIMFWGD-UHFFFAOYSA-N -1 0 333.409 3.805 20 0 EHADRM OCC1(CN=c2[n-]nc(-c3ccccc3Cl)s2)CC2(CCC2)C1 ZINC000432832963 1039502400 /nfs/dbraw/zinc/50/24/00/1039502400.db2.gz TZYIGGQRGALLDS-UHFFFAOYSA-N -1 0 349.887 3.635 20 0 EHADRM CCC[C@](C)(NC(=O)N[C@H](C)c1cc2ccccc2s1)C(=O)[O-] ZINC000554603032 1039515313 /nfs/dbraw/zinc/51/53/13/1039515313.db2.gz GDZZUNJFDVVRNS-DIFFPNOSSA-N -1 0 334.441 3.905 20 0 EHADRM CCC[C@@](C)(NC(=O)N[C@@H](C)c1cccc2ccccc21)C(=O)[O-] ZINC000554599223 1039526341 /nfs/dbraw/zinc/52/63/41/1039526341.db2.gz VIGKIIZOQIAUKA-ORAYPTAESA-N -1 0 328.412 3.843 20 0 EHADRM CCCCCc1n[n-]c(=NCc2ccc(N(C)C(C)C)nc2)s1 ZINC000478571884 1039533174 /nfs/dbraw/zinc/53/31/74/1039533174.db2.gz JOHOBTQRNUNTEU-UHFFFAOYSA-N -1 0 333.505 3.544 20 0 EHADRM Fc1ccc(CC2(CN=c3[n-]nc(C(F)(F)F)s3)CC2)cc1 ZINC000480435424 1039544502 /nfs/dbraw/zinc/54/45/02/1039544502.db2.gz KMCAUCONGFMWGS-UHFFFAOYSA-N -1 0 331.338 3.553 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1cn(C)nc1C1CCCCC1 ZINC000584701559 1039557229 /nfs/dbraw/zinc/55/72/29/1039557229.db2.gz XVESCEBWEAGJMM-UHFFFAOYSA-N -1 0 347.484 3.831 20 0 EHADRM CN(CC(C)(C)C)C(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000554700280 1039607397 /nfs/dbraw/zinc/60/73/97/1039607397.db2.gz YSXNBOMDTPADFM-CYBMUJFWSA-N -1 0 326.824 3.543 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000912104217 1039688268 /nfs/dbraw/zinc/68/82/68/1039688268.db2.gz XPUVWVRPBKVBIS-SJLPKXTDSA-N -1 0 345.826 3.774 20 0 EHADRM Cc1cccc([C@@H](C)C(=O)Nc2ccc3c(ccn3CC(=O)[O-])c2)c1 ZINC000485920249 1039704317 /nfs/dbraw/zinc/70/43/17/1039704317.db2.gz CGONADHBRAMIBC-CQSZACIVSA-N -1 0 336.391 3.777 20 0 EHADRM Cc1cnc(CN=c2[n-]nc(-c3cc(Cl)cc(Cl)c3)s2)o1 ZINC000485966069 1039728723 /nfs/dbraw/zinc/72/87/23/1039728723.db2.gz OLOQOLQPAGNVQS-UHFFFAOYSA-N -1 0 341.223 3.842 20 0 EHADRM CC(C)C[C@@H]1CCCN1C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000667712954 1039785940 /nfs/dbraw/zinc/78/59/40/1039785940.db2.gz UDGSODWWMBTAJK-ZDUSSCGKSA-N -1 0 349.381 3.507 20 0 EHADRM O=C([O-])c1nc(/C=C\c2cccc(F)c2)sc1Br ZINC000486025877 1039798796 /nfs/dbraw/zinc/79/87/96/1039798796.db2.gz KNQBPYKHLQMGCQ-PLNGDYQASA-N -1 0 328.162 3.913 20 0 EHADRM CC(C)COc1ccccc1CN=c1[n-]nc(CC(F)(F)F)s1 ZINC000489327600 1039854164 /nfs/dbraw/zinc/85/41/64/1039854164.db2.gz YMTACAIISOCIQQ-UHFFFAOYSA-N -1 0 345.390 3.712 20 0 EHADRM COCCC[C@@H](CN=c1[n-]c(C(C)C)no1)c1ccc(Cl)cc1 ZINC000553267901 1039920960 /nfs/dbraw/zinc/92/09/60/1039920960.db2.gz OTYFMTPTOGZFJI-AWEZNQCLSA-N -1 0 337.851 3.891 20 0 EHADRM CCO[C@@H](CS(=O)(=O)Nc1cc(Cl)ccc1Cl)C1CC1 ZINC000629281596 1039982392 /nfs/dbraw/zinc/98/23/92/1039982392.db2.gz CVQQGNIEUDLQBF-ZDUSSCGKSA-N -1 0 338.256 3.550 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NCc1cnn(C(C)(C)C)c1 ZINC000417569678 1040002952 /nfs/dbraw/zinc/00/29/52/1040002952.db2.gz QYPJMKAEHKUXHY-UHFFFAOYSA-N -1 0 331.416 3.736 20 0 EHADRM FC(F)[C@H]1C[C@@H]1N=c1[n-]nc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000553365867 1040012673 /nfs/dbraw/zinc/01/26/73/1040012673.db2.gz KNERALNKHBWGBY-IUCAKERBSA-N -1 0 336.194 3.999 20 0 EHADRM Cc1cc(C)cc([C@@H](NCc2cnc([C@H]3CCCO3)s2)C(=O)[O-])c1 ZINC000417564671 1040014755 /nfs/dbraw/zinc/01/47/55/1040014755.db2.gz OSZRDWSFWDJSQG-HZPDHXFCSA-N -1 0 346.452 3.527 20 0 EHADRM O=C([O-])[C@@H](NCc1cnc(C2CCC2)s1)c1c(F)cccc1F ZINC000417568563 1040019326 /nfs/dbraw/zinc/01/93/26/1040019326.db2.gz UEGHBKDMJXDIGQ-AWEZNQCLSA-N -1 0 338.379 3.604 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1cc(F)cc(Cl)c1 ZINC000584832278 1040030329 /nfs/dbraw/zinc/03/03/29/1040030329.db2.gz VOPPZIYXRBLQHL-UHFFFAOYSA-N -1 0 346.749 3.531 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc3ccccc3cc2O)CC2(CCCC2)O1 ZINC000648692504 1040031031 /nfs/dbraw/zinc/03/10/31/1040031031.db2.gz DAOBCFWRXYATRA-CQSZACIVSA-N -1 0 325.408 3.719 20 0 EHADRM Nc1ccc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)cc1Cl ZINC001212121735 1040038526 /nfs/dbraw/zinc/03/85/26/1040038526.db2.gz PIAQGZBFSKFHFE-UHFFFAOYSA-N -1 0 333.196 3.566 20 0 EHADRM CC(C)C[C@@H](CNC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000486275084 1040044801 /nfs/dbraw/zinc/04/48/01/1040044801.db2.gz YHBDQSLMOTTWCS-JQWIXIFHSA-N -1 0 346.254 3.960 20 0 EHADRM CCc1nc(CN[C@@]2(C(=O)[O-])CCC(C)(C)c3ccccc32)cs1 ZINC000417592922 1040044882 /nfs/dbraw/zinc/04/48/82/1040044882.db2.gz USDITJQIUFSLCC-IBGZPJMESA-N -1 0 344.480 3.847 20 0 EHADRM C[C@@H](Cc1ccc(NCc2ccc(Br)cn2)cc1)C(=O)[O-] ZINC000417606673 1040058438 /nfs/dbraw/zinc/05/84/38/1040058438.db2.gz DYIJOSPLRLXTAK-NSHDSACASA-N -1 0 349.228 3.719 20 0 EHADRM CC[C@@H](Cc1ccc(NCc2ncc(COC)s2)cc1)C(=O)[O-] ZINC000417608770 1040060423 /nfs/dbraw/zinc/06/04/23/1040060423.db2.gz JKCJEHFTHHQWNE-ZDUSSCGKSA-N -1 0 334.441 3.555 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NCc1coc(-c2ccccc2)n1 ZINC000417608245 1040061729 /nfs/dbraw/zinc/06/17/29/1040061729.db2.gz IOJUNFWBSXYQEK-QGZVFWFLSA-N -1 0 328.412 3.855 20 0 EHADRM CC[C@H](Cc1ccc(NCc2ccc([S@@](C)=O)cc2)cc1)C(=O)[O-] ZINC000417610220 1040062304 /nfs/dbraw/zinc/06/23/04/1040062304.db2.gz MVHUEDZHAFYUJT-VOIUYBSRSA-N -1 0 345.464 3.689 20 0 EHADRM CC[C@@H](Cc1ccc(NCc2cccc(OC)c2OC)cc1)C(=O)[O-] ZINC000417611925 1040077758 /nfs/dbraw/zinc/07/77/58/1040077758.db2.gz QELAECXPJLTYDK-HNNXBMFYSA-N -1 0 343.423 3.969 20 0 EHADRM COc1cc(CNc2ccc([C@H](C)CC(=O)[O-])cc2)cc(OC)c1 ZINC000417612585 1040081444 /nfs/dbraw/zinc/08/14/44/1040081444.db2.gz RFSDIMUGLXTAPD-CYBMUJFWSA-N -1 0 329.396 3.894 20 0 EHADRM COc1ccc(CNc2ccc([C@H](C)CC(=O)[O-])cc2)c(OC)c1 ZINC000417612719 1040081479 /nfs/dbraw/zinc/08/14/79/1040081479.db2.gz RQGMTIYPVVMAEE-CYBMUJFWSA-N -1 0 329.396 3.894 20 0 EHADRM FC(F)(F)CCCN=c1[n-]nc(Cc2ccc(Cl)cc2)s1 ZINC000489586971 1040085918 /nfs/dbraw/zinc/08/59/18/1040085918.db2.gz OXDYNGZAOPWWIE-UHFFFAOYSA-N -1 0 335.782 3.959 20 0 EHADRM COCCOc1ccc(CNc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000417616375 1040086857 /nfs/dbraw/zinc/08/68/57/1040086857.db2.gz YULVJDYJHJZCLF-OAHLLOKOSA-N -1 0 343.423 3.587 20 0 EHADRM CSCc1ccc(NC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)cc1 ZINC000907564267 1040095858 /nfs/dbraw/zinc/09/58/58/1040095858.db2.gz BXSRHBRNHICIIZ-QFBILLFUSA-N -1 0 341.432 3.747 20 0 EHADRM CC(C)=CCSC[C@H](NCc1csc(C(C)(C)C)n1)C(=O)[O-] ZINC000417625031 1040098566 /nfs/dbraw/zinc/09/85/66/1040098566.db2.gz LIHLXEZKUUCIOZ-ZDUSSCGKSA-N -1 0 342.530 3.683 20 0 EHADRM COc1ccc(CCC(=O)[O-])cc1NCc1ccc(C)c(OC)c1 ZINC000417624230 1040101822 /nfs/dbraw/zinc/10/18/22/1040101822.db2.gz JTCFEODDMKSAGR-UHFFFAOYSA-N -1 0 329.396 3.642 20 0 EHADRM Cc1oc(-c2ccccc2)c(C(=O)N[C@H](CC(=O)[O-])C2CC2)c1C ZINC000907585923 1040102158 /nfs/dbraw/zinc/10/21/58/1040102158.db2.gz IUUNPIZSVLLRCD-OAHLLOKOSA-N -1 0 327.380 3.547 20 0 EHADRM CC(C)[C@@H](C)CC(=O)NCc1c(C(=O)[O-])sc2ccsc21 ZINC000486408384 1040111362 /nfs/dbraw/zinc/11/13/62/1040111362.db2.gz NPJDQCAAEFMWBG-VIFPVBQESA-N -1 0 325.455 3.959 20 0 EHADRM O=C([O-])[C@H](CC(F)F)NC(=O)c1csc(C2CCCCC2)c1 ZINC000907675333 1040124819 /nfs/dbraw/zinc/12/48/19/1040124819.db2.gz NUAOKMNHESMBIS-NSHDSACASA-N -1 0 331.384 3.634 20 0 EHADRM COc1ccc(CNc2ccc(S[C@H](C)C(=O)[O-])cc2)c(OC)c1 ZINC000417654341 1040135914 /nfs/dbraw/zinc/13/59/14/1040135914.db2.gz IEZNJPDVTYYKTP-GFCCVEGCSA-N -1 0 347.436 3.881 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000237533988 1040137271 /nfs/dbraw/zinc/13/72/71/1040137271.db2.gz RQSUKXXYHSIFJP-NSHDSACASA-N -1 0 333.334 3.615 20 0 EHADRM CC(C)(C)[C@@H]1CCCN(C(=O)c2nn(-c3ccccc3)cc2[O-])CC1 ZINC000486460616 1040143671 /nfs/dbraw/zinc/14/36/71/1040143671.db2.gz OHOGXZUTLDQUGN-OAHLLOKOSA-N -1 0 341.455 3.866 20 0 EHADRM O=C([O-])c1ccc(CNCc2ccc(F)cc2Cl)nc1C1CC1 ZINC000417700874 1040171695 /nfs/dbraw/zinc/17/16/95/1040171695.db2.gz IVYCGHSKFBSUEV-UHFFFAOYSA-N -1 0 334.778 3.740 20 0 EHADRM Cc1ccccc1NC(=O)N[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000584876444 1040181834 /nfs/dbraw/zinc/18/18/34/1040181834.db2.gz VMWRSALHRXYHQI-LJQANCHMSA-N -1 0 348.402 3.966 20 0 EHADRM Cc1ccccc1-c1n[n-]c(=NCc2cc(C)c3ncccc3c2)o1 ZINC000555144821 1040209338 /nfs/dbraw/zinc/20/93/38/1040209338.db2.gz MHFDUEOJTCQNKI-UHFFFAOYSA-N -1 0 330.391 3.936 20 0 EHADRM Cc1ccc(-c2n[n-]c(=NCc3cnn(-c4ccccc4)c3)o2)c(C)c1 ZINC000555145171 1040212191 /nfs/dbraw/zinc/21/21/91/1040212191.db2.gz VJZOHZBZKXQPCG-UHFFFAOYSA-N -1 0 345.406 3.573 20 0 EHADRM COc1cc(OC)cc(S(=O)(=O)[N-]c2cccc3ccccc32)c1 ZINC000486548130 1040224878 /nfs/dbraw/zinc/22/48/78/1040224878.db2.gz KZVOYJOCOAUUDH-UHFFFAOYSA-N -1 0 343.404 3.658 20 0 EHADRM CC[C@@H](C)c1ncc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)cn1 ZINC000417804784 1040238582 /nfs/dbraw/zinc/23/85/82/1040238582.db2.gz ZPDJNFHHNNRKQS-GFCCVEGCSA-N -1 0 342.399 3.651 20 0 EHADRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1nc(C(C)C)cs1 ZINC000486560961 1040244634 /nfs/dbraw/zinc/24/46/34/1040244634.db2.gz CDVTUKQPZKKQGY-UHFFFAOYSA-N -1 0 346.861 3.729 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@H]23)c1 ZINC000907961346 1040246166 /nfs/dbraw/zinc/24/61/66/1040246166.db2.gz VBQORXGHWSHPQF-AUEKSGIPSA-N -1 0 343.467 3.604 20 0 EHADRM FC(F)(F)c1n[n-]c(=NCCn2ccc3cc(Cl)ccc32)s1 ZINC000553605321 1040246899 /nfs/dbraw/zinc/24/68/99/1040246899.db2.gz XYONFQDNWHTQNA-UHFFFAOYSA-N -1 0 346.765 3.699 20 0 EHADRM C[C@H](N=c1[n-]nc(C2CCOCC2)s1)c1cc2cccc(F)c2o1 ZINC000555193948 1040265809 /nfs/dbraw/zinc/26/58/09/1040265809.db2.gz NPDQROPLONPNJZ-JTQLQIEISA-N -1 0 347.415 3.912 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000908029711 1040268343 /nfs/dbraw/zinc/26/83/43/1040268343.db2.gz WBXLHRZRIXQLIM-MCIGGMRASA-N -1 0 337.382 3.751 20 0 EHADRM Cc1ccc(CCCC(=O)N(C)c2cccc(CC(=O)[O-])c2)cc1 ZINC000908079732 1040289365 /nfs/dbraw/zinc/28/93/65/1040289365.db2.gz ZIEWUZOCEMUWHJ-UHFFFAOYSA-N -1 0 325.408 3.608 20 0 EHADRM CCCCN(C(=O)c1nn(-c2ccc(F)cc2)cc1[O-])[C@H](C)CC ZINC000500016923 1040317812 /nfs/dbraw/zinc/31/78/12/1040317812.db2.gz ISPVIKCOZYCWAU-CYBMUJFWSA-N -1 0 333.407 3.758 20 0 EHADRM Cc1coc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3F)cc12 ZINC000479527945 1040323664 /nfs/dbraw/zinc/32/36/64/1040323664.db2.gz ICKRTQYVTZGANH-UHFFFAOYSA-N -1 0 341.310 3.959 20 0 EHADRM CC(C)Cc1nc(=N[C@@H](CO)c2c(Cl)cccc2Cl)s[n-]1 ZINC000481077234 1040326852 /nfs/dbraw/zinc/32/68/52/1040326852.db2.gz ULFXXEGYJXBTHD-NSHDSACASA-N -1 0 346.283 3.611 20 0 EHADRM CCc1ncc(S(=O)(=O)[N-]c2cccc(C(C)(C)C)c2O)s1 ZINC000479539778 1040348470 /nfs/dbraw/zinc/34/84/70/1040348470.db2.gz DZRZHZOMYLOPAS-UHFFFAOYSA-N -1 0 340.470 3.509 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(Cc2ccc(Br)cc2F)C1 ZINC000043585452 1040369915 /nfs/dbraw/zinc/36/99/15/1040369915.db2.gz GUJLGSMROBBHLZ-LLVKDONJSA-N -1 0 344.224 3.665 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)Cc2coc3ccccc23)CCC1 ZINC000908334266 1040396669 /nfs/dbraw/zinc/39/66/69/1040396669.db2.gz KCUMDJMKTDLFEC-UHFFFAOYSA-N -1 0 329.396 3.517 20 0 EHADRM CO[C@H]1CCC[C@H]1Sc1n[n-]c(=Nc2cccc(F)c2)s1 ZINC000645028575 1040432217 /nfs/dbraw/zinc/43/22/17/1040432217.db2.gz CSPZRVNXTNWVFZ-NWDGAFQWSA-N -1 0 325.434 3.502 20 0 EHADRM CC(C)c1cc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)no1 ZINC000479618288 1040450244 /nfs/dbraw/zinc/45/02/44/1040450244.db2.gz RBMDOHYPNAFRKT-UHFFFAOYSA-N -1 0 348.346 3.704 20 0 EHADRM COc1c(NC(=O)c2cccc3c2CCCC3)cccc1C(=O)[O-] ZINC000908500159 1040481154 /nfs/dbraw/zinc/48/11/54/1040481154.db2.gz GXCJIZIRNGLFSQ-UHFFFAOYSA-N -1 0 325.364 3.525 20 0 EHADRM CC(C)Oc1ccc(Cl)cc1C(=O)N=c1cc(C(F)(F)F)[n-][nH]1 ZINC000479646022 1040490578 /nfs/dbraw/zinc/49/05/78/1040490578.db2.gz RGGPHAQSEJIFMF-UHFFFAOYSA-N -1 0 347.724 3.543 20 0 EHADRM CC[C@H]1CCCCCN1C(=O)N=c1[n-]nc(/C=C\c2ccco2)s1 ZINC000486882924 1040512432 /nfs/dbraw/zinc/51/24/32/1040512432.db2.gz UPQPGCUXHVZYGB-XPSMFNQNSA-N -1 0 346.456 3.910 20 0 EHADRM O=C([O-])CN(C(=O)Nc1ccc(C(F)F)cc1)C1CCCCC1 ZINC000908633090 1040538875 /nfs/dbraw/zinc/53/88/75/1040538875.db2.gz NKUIQUZHPSCGKF-UHFFFAOYSA-N -1 0 326.343 3.875 20 0 EHADRM Cc1nc(NC(=O)N2CCCC[C@H]2C(=O)[O-])ccc1-c1ccccc1 ZINC000908675952 1040583491 /nfs/dbraw/zinc/58/34/91/1040583491.db2.gz SPPYMSSMAJXUBX-INIZCTEOSA-N -1 0 339.395 3.528 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1ccccc1SCC(F)(F)F ZINC000908708411 1040604298 /nfs/dbraw/zinc/60/42/98/1040604298.db2.gz VLNMAXKXWZALRT-LLVKDONJSA-N -1 0 335.347 3.636 20 0 EHADRM C[C@H]1CCC[C@H](OCC(=O)Nc2cccc(O)c2Br)C1 ZINC000908713399 1040607268 /nfs/dbraw/zinc/60/72/68/1040607268.db2.gz RUFRAKYCHLSODM-QWRGUYRKSA-N -1 0 342.233 3.689 20 0 EHADRM O=C(NCc1cccc(-c2cccnc2)c1)c1cc(F)c([O-])c(F)c1 ZINC000364259645 1040608043 /nfs/dbraw/zinc/60/80/43/1040608043.db2.gz HGHYVDZMWJHWMQ-UHFFFAOYSA-N -1 0 340.329 3.662 20 0 EHADRM FC1(F)CC[C@H](CSc2n[n-]c(=NCc3ccco3)s2)C1 ZINC000555463391 1040624185 /nfs/dbraw/zinc/62/41/85/1040624185.db2.gz HSYAYLMXZYBZER-VIFPVBQESA-N -1 0 331.413 3.693 20 0 EHADRM O=C(c1nn(-c2cccc(Cl)c2)cc1[O-])N1CC=CC12CCCC2 ZINC000913207428 1040654685 /nfs/dbraw/zinc/65/46/85/1040654685.db2.gz WHLSDNHZQCOOQC-UHFFFAOYSA-N -1 0 343.814 3.556 20 0 EHADRM Cc1nc(CC2CC2)sc1C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000908845518 1040676822 /nfs/dbraw/zinc/67/68/22/1040676822.db2.gz ZCBIVRGMFZUZAH-UHFFFAOYSA-N -1 0 330.409 3.663 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000908832121 1040679760 /nfs/dbraw/zinc/67/97/60/1040679760.db2.gz UOTRXJRXKRFZND-HIFRSBDPSA-N -1 0 327.380 3.552 20 0 EHADRM O=C([O-])C[C@H](CNC(=O)C1(c2cccs2)CCCCC1)C1CC1 ZINC000659209738 1040691932 /nfs/dbraw/zinc/69/19/32/1040691932.db2.gz LATOZUQIWNQYQN-CQSZACIVSA-N -1 0 335.469 3.567 20 0 EHADRM CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)N=c1[n-]ncs1 ZINC000500196937 1040706389 /nfs/dbraw/zinc/70/63/89/1040706389.db2.gz HGNUDAXRZPMFIL-UHFFFAOYSA-N -1 0 336.848 3.614 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)s1 ZINC000512734114 1040715295 /nfs/dbraw/zinc/71/52/95/1040715295.db2.gz IWICCTBKWHXRBB-HUUCEWRRSA-N -1 0 344.484 3.760 20 0 EHADRM Cc1c(C(=O)Nc2cc(C(=O)[O-])ccc2C)cnn1C1CCCCC1 ZINC000909084449 1040791331 /nfs/dbraw/zinc/79/13/31/1040791331.db2.gz SGFLXWWRGUIBFP-UHFFFAOYSA-N -1 0 341.411 3.956 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cc(-c3ccccc3F)on2)c1 ZINC000433129064 1040853048 /nfs/dbraw/zinc/85/30/48/1040853048.db2.gz NBCGPAWHGBUBOY-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)c2oc(C)cc2C)s1)c1ccccc1 ZINC000487257037 1040859284 /nfs/dbraw/zinc/85/92/84/1040859284.db2.gz SDYHJEAPPBCDFB-CQSZACIVSA-N -1 0 341.436 3.964 20 0 EHADRM CC(C)c1ncsc1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000909288837 1040908092 /nfs/dbraw/zinc/90/80/92/1040908092.db2.gz XDVRGFYRIPFQSG-UHFFFAOYSA-N -1 0 332.425 3.881 20 0 EHADRM CCc1c(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)cnn1C(CC)CC ZINC000909295687 1040914598 /nfs/dbraw/zinc/91/45/98/1040914598.db2.gz IHVGGWJEUVRDRQ-UHFFFAOYSA-N -1 0 347.390 3.896 20 0 EHADRM CCCCn1ncc([N-]S(=O)(=O)c2cc(C)c(Cl)s2)c1C ZINC000473479330 1040976332 /nfs/dbraw/zinc/97/63/32/1040976332.db2.gz KFMAZZPZKDMSOQ-UHFFFAOYSA-N -1 0 347.893 3.816 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ncc(C)c(-c3ccccc3)n2)s1 ZINC000433177614 1040984062 /nfs/dbraw/zinc/98/40/62/1040984062.db2.gz VARLUHJHUBWJGV-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)C1(Cc2cccs2)CCCCC1 ZINC000909740654 1040990913 /nfs/dbraw/zinc/99/09/13/1040990913.db2.gz RGEIDMGVVKMYFM-CQSZACIVSA-N -1 0 335.469 3.707 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)c1cccc(-c2c(F)cccc2F)c1 ZINC000909738299 1040992158 /nfs/dbraw/zinc/99/21/58/1040992158.db2.gz PVRPTQBFKKCQOK-CQSZACIVSA-N -1 0 345.345 3.711 20 0 EHADRM O=C(Cc1cc(F)c(F)cc1F)Nc1ccc2[n-]c(=S)oc2c1 ZINC000163691454 1040994899 /nfs/dbraw/zinc/99/48/99/1040994899.db2.gz KZBSAYLRLOSZGF-UHFFFAOYSA-N -1 0 338.310 3.715 20 0 EHADRM O=C([O-])c1cc(NC(=O)C2(C3CC3)CC2)ccc1N1CCCCC1 ZINC000909845119 1041035810 /nfs/dbraw/zinc/03/58/10/1041035810.db2.gz QVPYCYTWFLJGQR-UHFFFAOYSA-N -1 0 328.412 3.504 20 0 EHADRM CCCN(CCC)C(=O)N=c1[n-]nc(-c2cccc(Cl)c2)s1 ZINC000481555151 1041064897 /nfs/dbraw/zinc/06/48/97/1041064897.db2.gz DHVHNZCTFILMHA-UHFFFAOYSA-N -1 0 338.864 3.934 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)Nc1ccc(Oc2ccccn2)cc1 ZINC000899769427 1041083028 /nfs/dbraw/zinc/08/30/28/1041083028.db2.gz CKQXPPUQDAAIFH-BEFAXECRSA-N -1 0 340.379 3.559 20 0 EHADRM CC(C)(CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21)CC(F)(F)F ZINC000909962551 1041084119 /nfs/dbraw/zinc/08/41/19/1041084119.db2.gz OXSNGWNPSZMRBH-RWMBFGLXSA-N -1 0 349.393 3.847 20 0 EHADRM Cc1ccnc(-c2ccc(NC(=O)[C@H](CC(=O)[O-])CC(C)C)cc2)n1 ZINC000899769698 1041084472 /nfs/dbraw/zinc/08/44/72/1041084472.db2.gz GLUGLXXIYJSYJW-HNNXBMFYSA-N -1 0 341.411 3.528 20 0 EHADRM C[C@H](c1ccc(C(=O)NC[C@H](CC(=O)[O-])C2CC2)cc1)C(F)(F)F ZINC000909967781 1041084937 /nfs/dbraw/zinc/08/49/37/1041084937.db2.gz FXUYIMXXRJAFCI-YGRLFVJLSA-N -1 0 343.345 3.583 20 0 EHADRM Cc1ccc([C@H](CC(=O)NCc2ccc(C(F)F)cc2)C(=O)[O-])cc1 ZINC000899782025 1041105819 /nfs/dbraw/zinc/10/58/19/1041105819.db2.gz QESFTHMHMYIKJQ-INIZCTEOSA-N -1 0 347.361 3.807 20 0 EHADRM C[C@H](N=c1[n-]nc(C(F)F)o1)c1ccc(OCc2cccnc2)cc1 ZINC000555756666 1041110269 /nfs/dbraw/zinc/11/02/69/1041110269.db2.gz MTVYUTAQRPONNP-NSHDSACASA-N -1 0 346.337 3.576 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])C[C@@H]1C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000899773775 1041110330 /nfs/dbraw/zinc/11/03/30/1041110330.db2.gz NPJGPJNUKUHCPD-RFAUZJTJSA-N -1 0 331.746 3.963 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])C[C@@H]1C(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000899785185 1041121537 /nfs/dbraw/zinc/12/15/37/1041121537.db2.gz FIHWJMFLFXCTLY-VQIMIIECSA-N -1 0 340.379 3.559 20 0 EHADRM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-] ZINC000899800646 1041139596 /nfs/dbraw/zinc/13/95/96/1041139596.db2.gz YFEZLEOUBMHCQF-BUJPVFDFSA-N -1 0 347.842 3.772 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc3c(C)n[nH]c3c2)sc1Cl ZINC000473485350 1041140518 /nfs/dbraw/zinc/14/05/18/1041140518.db2.gz XTFAXWNPHFTRFX-UHFFFAOYSA-N -1 0 341.845 3.695 20 0 EHADRM C[C@@]1(C(=O)[O-])[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000899810179 1041156477 /nfs/dbraw/zinc/15/64/77/1041156477.db2.gz UEUPUMHGECPFFA-CFGWQNJFSA-N -1 0 343.423 3.636 20 0 EHADRM CC(C)C[C@H](CC(=O)[O-])C(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000899813897 1041158450 /nfs/dbraw/zinc/15/84/50/1041158450.db2.gz WFJXDDRMRMMIPM-DZGCQCFKSA-N -1 0 344.411 3.656 20 0 EHADRM Cc1ccc(CN(C(=O)C[C@@H](C(=O)[O-])c2ccc(C)cc2)C2CC2)o1 ZINC000899814821 1041162111 /nfs/dbraw/zinc/16/21/11/1041162111.db2.gz TZTCWEPMMZWWGF-GOSISDBHSA-N -1 0 341.407 3.646 20 0 EHADRM COc1cccc(C2CCN(C(=O)[C@H](CC(=O)[O-])CC(C)C)CC2)c1 ZINC000899820670 1041178561 /nfs/dbraw/zinc/17/85/61/1041178561.db2.gz WCQJHNQQYFLPKN-KRWDZBQOSA-N -1 0 347.455 3.538 20 0 EHADRM Cc1ccc([C@H](CC(=O)NCc2ccc([C@@H]3C[C@H]3C)o2)C(=O)[O-])cc1 ZINC000899831560 1041192335 /nfs/dbraw/zinc/19/23/35/1041192335.db2.gz UKGPXZFASBSMGV-XYPHTWIQSA-N -1 0 341.407 3.586 20 0 EHADRM O=C([O-])[C@H](F)C1CN(C(=O)c2cc3sc4ccccc4c3s2)C1 ZINC000910133932 1041199614 /nfs/dbraw/zinc/19/96/14/1041199614.db2.gz HEKYYSXBNDJSCG-CYBMUJFWSA-N -1 0 349.408 3.611 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)N[C@@H]1CCCc2cccnc21)C1CCCCC1 ZINC000899841627 1041203799 /nfs/dbraw/zinc/20/37/99/1041203799.db2.gz TXHVHEBYHWDSCE-UZLBHIALSA-N -1 0 344.455 3.637 20 0 EHADRM CCC(CC)(CC(=O)N[C@H](c1ncccc1C)C(C)(C)C)C(=O)[O-] ZINC000899853399 1041213572 /nfs/dbraw/zinc/21/35/72/1041213572.db2.gz UQONNXBWCHJDDP-MRXNPFEDSA-N -1 0 334.460 3.875 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)Nc1cccc(-c2ncco2)c1)C(=O)[O-] ZINC000555851197 1041225453 /nfs/dbraw/zinc/22/54/53/1041225453.db2.gz MPAZKCPSBYPWSH-CQSZACIVSA-N -1 0 345.399 3.743 20 0 EHADRM CCc1ccc(NC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)cc1F ZINC000555853009 1041227789 /nfs/dbraw/zinc/22/77/89/1041227789.db2.gz QTNQSERUXCBFNN-INIZCTEOSA-N -1 0 330.359 3.678 20 0 EHADRM C[C@@H]1CC=CC[C@H]1NC(=O)[C@@H](CC(=O)[O-])c1c(F)cccc1Cl ZINC000899856154 1041238051 /nfs/dbraw/zinc/23/80/51/1041238051.db2.gz MKPMCSCGIMDGKF-UHIISALHSA-N -1 0 339.794 3.508 20 0 EHADRM COC(=O)c1cc(C(C)C)ccc1NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000488004644 1041241833 /nfs/dbraw/zinc/24/18/33/1041241833.db2.gz HFKLNGYTVFTOSS-UHFFFAOYSA-N -1 0 347.411 3.570 20 0 EHADRM COCc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000194248184 1041243614 /nfs/dbraw/zinc/24/36/14/1041243614.db2.gz DOTGMOCGXGDCHA-UHFFFAOYSA-N -1 0 346.235 3.941 20 0 EHADRM CCCCC[C@H]1CCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000500367255 1041252727 /nfs/dbraw/zinc/25/27/27/1041252727.db2.gz RHBGOTQNSPQOPJ-HNNXBMFYSA-N -1 0 345.418 3.902 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)/C=C/c1cccc(OC2CCCC2)c1 ZINC000237030904 1041268515 /nfs/dbraw/zinc/26/85/15/1041268515.db2.gz UKCMAPAXOKHBMU-SGWGQVFISA-N -1 0 345.439 3.781 20 0 EHADRM C[C@@H]1CN(C(=O)c2sc3ccccc3c2Cl)CC[C@H]1C(=O)[O-] ZINC000319572452 1041340341 /nfs/dbraw/zinc/34/03/41/1041340341.db2.gz RBYQMBZWGXUCDY-NXEZZACHSA-N -1 0 337.828 3.738 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NC2(c3ccccc3Cl)CCC2)C1 ZINC000652081063 1041347139 /nfs/dbraw/zinc/34/71/39/1041347139.db2.gz CMWRMFQNENTVCO-CHWSQXEVSA-N -1 0 335.831 3.726 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@@H]2C[C@H]2c2cccc3ccccc32)s[n-]1 ZINC000509888664 1041402103 /nfs/dbraw/zinc/40/21/03/1041402103.db2.gz BYYJKMYFOMFFLF-KNXALSJPSA-N -1 0 325.437 3.789 20 0 EHADRM Cc1c(C(=O)Nc2ccc(CC(=O)[O-])cc2)cccc1-c1ccccn1 ZINC000432006240 1041464455 /nfs/dbraw/zinc/46/44/55/1041464455.db2.gz INOAXVFMWAPKCW-UHFFFAOYSA-N -1 0 346.386 3.936 20 0 EHADRM O=C(N=c1nc(-c2ccsc2)[n-]s1)c1sccc1Cl ZINC000511721468 1041489477 /nfs/dbraw/zinc/48/94/77/1041489477.db2.gz GRGMVNCELSHMLK-UHFFFAOYSA-N -1 0 327.843 3.656 20 0 EHADRM Cc1cc(Nc2cccc(C(=O)NCC(C)C)c2)ccc1C(=O)[O-] ZINC001211658766 1041569641 /nfs/dbraw/zinc/56/96/41/1041569641.db2.gz YTVUHWJXTWLHAP-UHFFFAOYSA-N -1 0 326.396 3.823 20 0 EHADRM Cc1ccc(S[C@H](C)C(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])cc1 ZINC000432100481 1041589868 /nfs/dbraw/zinc/58/98/68/1041589868.db2.gz XQFGXYWSTNHCHW-XUWXXGDYSA-N -1 0 335.469 3.625 20 0 EHADRM C[C@]1(NC(=O)CCc2ccc3ccccc3c2)CCCC[C@H]1C(=O)[O-] ZINC000432096134 1041590342 /nfs/dbraw/zinc/59/03/42/1041590342.db2.gz DRLACIAJTVMYNN-RXVVDRJESA-N -1 0 339.435 3.922 20 0 EHADRM C[C@@H]1CCC[C@H](CC(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)C1 ZINC000432120651 1041619942 /nfs/dbraw/zinc/61/99/42/1041619942.db2.gz BBFJAZFYNRDGCP-BPQIPLTHSA-N -1 0 331.456 3.795 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@H]2CCC(C)C)cc(C)c1OCC(=O)[O-] ZINC000432122110 1041619965 /nfs/dbraw/zinc/61/99/65/1041619965.db2.gz JHSMUIWEOPVVNY-KRWDZBQOSA-N -1 0 347.455 3.808 20 0 EHADRM O=C([O-])C1CCC(C(=O)N[C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000194398342 1041619968 /nfs/dbraw/zinc/61/99/68/1041619968.db2.gz PJDNJGFXEVHPLF-ABHNRTSZSA-N -1 0 329.440 3.925 20 0 EHADRM C[C@]1(CN=c2[n-]nc(C3CCOCC3)s2)CCCc2ccccc21 ZINC000549521137 1041692400 /nfs/dbraw/zinc/69/24/00/1041692400.db2.gz DKUSRZLCNQEINK-LJQANCHMSA-N -1 0 343.496 3.560 20 0 EHADRM Cc1cc(N2CCC[C@@H](CCC(=O)[O-])C2)c2ccc(F)c(F)c2n1 ZINC000662887143 1042191421 /nfs/dbraw/zinc/19/14/21/1042191421.db2.gz DLLCYNBXAAMIND-LBPRGKRZSA-N -1 0 334.366 3.903 20 0 EHADRM CCCOc1ccc(Nc2ccc(S(=O)(=O)[O-])cc2)cc1F ZINC001211670496 1042235230 /nfs/dbraw/zinc/23/52/30/1042235230.db2.gz RXUTWDISFAZDHT-UHFFFAOYSA-N -1 0 325.361 3.605 20 0 EHADRM O=c1nc(CN(Cc2ccccc2F)CC2CC2)[n-]c2ccsc21 ZINC000661793100 1042333473 /nfs/dbraw/zinc/33/34/73/1042333473.db2.gz HTRWUJFYAKAVMU-UHFFFAOYSA-N -1 0 343.427 3.948 20 0 EHADRM Cc1ccccc1C1(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)CCC1 ZINC000653327958 1042370600 /nfs/dbraw/zinc/37/06/00/1042370600.db2.gz BTAUZJYFZIKLPJ-IEBWSBKVSA-N -1 0 349.430 3.846 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000487368265 1042425311 /nfs/dbraw/zinc/42/53/11/1042425311.db2.gz DNGFMRVYHCRKIP-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM CN(C(=O)N=c1[n-]nc(/C=C/c2ccco2)s1)[C@@H]1CCC(C)(C)C1 ZINC000432263615 1042443514 /nfs/dbraw/zinc/44/35/14/1042443514.db2.gz IAUBUUXNHZKKTN-NNNHXZLVSA-N -1 0 346.456 3.766 20 0 EHADRM CC(C)OCc1ccc(NC(=O)C2(C(=O)[O-])CCCCCC2)cc1 ZINC000663096586 1042443911 /nfs/dbraw/zinc/44/39/11/1042443911.db2.gz QQNALJMJYCIOFL-UHFFFAOYSA-N -1 0 333.428 3.975 20 0 EHADRM CC(C)(C)C1CCC(CC(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)CC1 ZINC000408198367 1042459601 /nfs/dbraw/zinc/45/96/01/1042459601.db2.gz MSKVVHIOHJIHJL-SHARSMKWSA-N -1 0 349.475 3.724 20 0 EHADRM CCOC(=O)c1cccc(NC(=O)c2cc(F)c([O-])c(Cl)c2)c1 ZINC000184330569 1042460077 /nfs/dbraw/zinc/46/00/77/1042460077.db2.gz HCHCRMBRJRUGEM-UHFFFAOYSA-N -1 0 337.734 3.614 20 0 EHADRM C[C@@H]1CC(C)(C)C[N@@H+]1Cc1c(Br)cccc1C(=O)[O-] ZINC000652418595 1042466821 /nfs/dbraw/zinc/46/68/21/1042466821.db2.gz ALTRKNCJISVFCX-SNVBAGLBSA-N -1 0 326.234 3.768 20 0 EHADRM C[C@H](C(=O)NC[C@H](C(=O)[O-])C1CCC1)c1ccc2ccccc2c1 ZINC000663154931 1042497220 /nfs/dbraw/zinc/49/72/20/1042497220.db2.gz PGDCGZFJMVNLGY-UGSOOPFHSA-N -1 0 325.408 3.560 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)n1 ZINC000659189246 1042543859 /nfs/dbraw/zinc/54/38/59/1042543859.db2.gz VXCNTRGDSJBAOV-HNNXBMFYSA-N -1 0 343.427 3.859 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)n1 ZINC000659189247 1042544025 /nfs/dbraw/zinc/54/40/25/1042544025.db2.gz VXCNTRGDSJBAOV-OAHLLOKOSA-N -1 0 343.427 3.859 20 0 EHADRM COc1cccc(F)c1[C@H](C)NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184449272 1042546068 /nfs/dbraw/zinc/54/60/68/1042546068.db2.gz FJGUEKOJTDYCMI-QMMMGPOBSA-N -1 0 341.741 3.823 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])ccc1-c1ccncc1 ZINC000601993766 1042654784 /nfs/dbraw/zinc/65/47/84/1042654784.db2.gz OSSKBNNRNILQLX-OLZOCXBDSA-N -1 0 344.436 3.590 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCSc2ccccc2)[C@@H]2CCCC[C@H]12 ZINC000659194093 1042691066 /nfs/dbraw/zinc/69/10/66/1042691066.db2.gz LGFZSUDYTZHQNF-BRWVUGGUSA-N -1 0 347.480 3.661 20 0 EHADRM CCCCOc1ccc(NC(=O)NC[C@H](C(=O)[O-])C2CCC2)c(C)c1 ZINC000663343215 1042725320 /nfs/dbraw/zinc/72/53/20/1042725320.db2.gz IMTJEKPQAJKSHQ-INIZCTEOSA-N -1 0 348.443 3.796 20 0 EHADRM Cc1cc(Cl)c(NC(=O)NC[C@H](C(=O)[O-])C2CCC2)cc1Cl ZINC000663348870 1042738497 /nfs/dbraw/zinc/73/84/97/1042738497.db2.gz DJHWUWSUCZXJJO-JTQLQIEISA-N -1 0 345.226 3.924 20 0 EHADRM O=C([O-])CC1(CNC(=O)/C=C/c2ccc(Cl)s2)CCCCC1 ZINC000314581375 1042823583 /nfs/dbraw/zinc/82/35/83/1042823583.db2.gz AIIYLEYVKIRYEA-FNORWQNLSA-N -1 0 341.860 3.956 20 0 EHADRM CC(C)Oc1ccccc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000303966697 1042950268 /nfs/dbraw/zinc/95/02/68/1042950268.db2.gz YOBAZVVIEDHGLB-UHFFFAOYSA-N -1 0 345.342 3.692 20 0 EHADRM C[C@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])C(C)(C)c1ccccc1 ZINC001143528244 1042957344 /nfs/dbraw/zinc/95/73/44/1042957344.db2.gz KFSWMALSWSZRQG-HNNXBMFYSA-N -1 0 349.434 3.674 20 0 EHADRM Cc1cc(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c(C)n1C(C)C ZINC000653332473 1042979130 /nfs/dbraw/zinc/97/91/30/1042979130.db2.gz CSOYATOVOZEKQE-ROUUACIJSA-N -1 0 340.423 3.729 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2C)s1 ZINC000644851129 1042988238 /nfs/dbraw/zinc/98/82/38/1042988238.db2.gz OAYDWFVCJQUSIU-UHFFFAOYSA-N -1 0 347.465 3.660 20 0 EHADRM CCCCCOc1ccc(S(=O)(=O)Nc2cncc(C)c2)cc1 ZINC000432365468 1043002587 /nfs/dbraw/zinc/00/25/87/1043002587.db2.gz UOBGAWWGSUKDPT-UHFFFAOYSA-N -1 0 334.441 3.760 20 0 EHADRM CCCCCc1nnc([N-]S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000006361870 1043007764 /nfs/dbraw/zinc/00/77/64/1043007764.db2.gz OYGAABBIAPUYFI-UHFFFAOYSA-N -1 0 345.877 3.725 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cn1 ZINC000006415920 1043010724 /nfs/dbraw/zinc/01/07/24/1043010724.db2.gz QRJLEDGCDNYZDF-UHFFFAOYSA-N -1 0 340.404 3.558 20 0 EHADRM Cn1[n-]c(-c2nc(-c3ccc(C(F)(F)F)c(Cl)c3)no2)cc1=O ZINC001213450171 1043035687 /nfs/dbraw/zinc/03/56/87/1043035687.db2.gz KOPGKXCPCIFJST-UHFFFAOYSA-N -1 0 344.680 3.515 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000585810309 1043086532 /nfs/dbraw/zinc/08/65/32/1043086532.db2.gz MRNKFTJVRGNPCB-ZWKOTPCHSA-N -1 0 349.386 3.523 20 0 EHADRM Cc1ccc2c(c1)CN(C(=O)N=c1nc(-c3ccsc3)[n-]s1)C2 ZINC000432419841 1043151135 /nfs/dbraw/zinc/15/11/35/1043151135.db2.gz GLICEWWZGCWYJJ-UHFFFAOYSA-N -1 0 342.449 3.545 20 0 EHADRM CCc1ncc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)s1 ZINC000359108952 1043206854 /nfs/dbraw/zinc/20/68/54/1043206854.db2.gz VEUVNUIOCQJJTN-UHFFFAOYSA-N -1 0 337.253 3.813 20 0 EHADRM CC(C)Oc1ccc(F)c(-c2cc(-c3nn[nH]n3)ccc2F)c1F ZINC001204669304 1043216769 /nfs/dbraw/zinc/21/67/69/1043216769.db2.gz HIJHBGXDRQOULM-UHFFFAOYSA-N -1 0 334.301 3.738 20 0 EHADRM Cc1sc2[nH]c([C@@H](C)OC(=O)[C@@H]3CC34CCC4)nc(=O)c2c1C ZINC000759972782 1043278495 /nfs/dbraw/zinc/27/84/95/1043278495.db2.gz BFYRYFGTUJINCK-KOLCDFICSA-N -1 0 332.425 3.808 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCSc1ccc(Cl)cc1 ZINC000318308365 1043316332 /nfs/dbraw/zinc/31/63/32/1043316332.db2.gz QBWMCHVBYFMBPQ-VXGBXAGGSA-N -1 0 341.860 3.534 20 0 EHADRM CC(C)(C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1F ZINC000653334666 1043491082 /nfs/dbraw/zinc/49/10/82/1043491082.db2.gz DOZLVNXOAJAEMS-PBHICJAKSA-N -1 0 341.382 3.533 20 0 EHADRM O=C(CCc1ncc[nH]1)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000344247071 1043510973 /nfs/dbraw/zinc/51/09/73/1043510973.db2.gz QZKYVZWAGIHURR-UHFFFAOYSA-N -1 0 334.590 3.647 20 0 EHADRM CC1=C[C@H](C)CN(C(=O)N=c2[n-]nc(-c3cccc(Cl)c3)s2)C1 ZINC000432496363 1043527841 /nfs/dbraw/zinc/52/78/41/1043527841.db2.gz LDPHPWHKEOLKAH-JTQLQIEISA-N -1 0 348.859 3.710 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)CC(C)(C)CC(=O)[O-])c2)cs1 ZINC000029010393 1043628247 /nfs/dbraw/zinc/62/82/47/1043628247.db2.gz QMRXEGRFACCWAW-UHFFFAOYSA-N -1 0 332.425 3.948 20 0 EHADRM Cn1ncc(Cl)c1/C=C(\CC(=O)[O-])c1nc2ccccc2s1 ZINC000187200666 1043905873 /nfs/dbraw/zinc/90/58/73/1043905873.db2.gz JNQOYTREWRWYLO-RMKNXTFCSA-N -1 0 333.800 3.699 20 0 EHADRM CC(C)c1nnc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)o1 ZINC000163238120 1043917338 /nfs/dbraw/zinc/91/73/38/1043917338.db2.gz CUGQUNKTZZOWCQ-UHFFFAOYSA-N -1 0 343.408 3.661 20 0 EHADRM CC(C)(C)Cc1cc(NC(=O)c2cc(F)c([O-])c(Cl)c2)n[nH]1 ZINC000187363785 1043959564 /nfs/dbraw/zinc/95/95/64/1043959564.db2.gz XYUNCKNUUSNNDQ-UHFFFAOYSA-N -1 0 325.771 3.749 20 0 EHADRM C[C@@H]1C[C@@H](CCNS(=O)(=O)c2cc([O-])cc(F)c2)CC(C)(C)C1 ZINC001211705976 1044447366 /nfs/dbraw/zinc/44/73/66/1044447366.db2.gz ZSHZRBCLTHSZGB-CHWSQXEVSA-N -1 0 343.464 3.662 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccccc2SC(F)(F)F)C1 ZINC000261600382 1044505399 /nfs/dbraw/zinc/50/53/99/1044505399.db2.gz ACOBJWLQQKJHQI-DTWKUNHWSA-N -1 0 333.331 3.738 20 0 EHADRM CO[C@H](C)c1nc(=N[C@H](C)[C@@H](OC)c2ccc(Cl)cc2)s[n-]1 ZINC000337878845 1044523556 /nfs/dbraw/zinc/52/35/56/1044523556.db2.gz SKUXWJLUBIFFHS-GIPNMCIBSA-N -1 0 341.864 3.509 20 0 EHADRM CC(C)Sc1ccccc1C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000236626974 1044548628 /nfs/dbraw/zinc/54/86/28/1044548628.db2.gz IIJJEBQBVRTWAG-UHFFFAOYSA-N -1 0 336.438 3.523 20 0 EHADRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc2cc[nH]c2c1 ZINC000432643136 1044573298 /nfs/dbraw/zinc/57/32/98/1044573298.db2.gz HEPPDHKJTHWHRX-UHFFFAOYSA-N -1 0 330.409 3.594 20 0 EHADRM O=S(=O)(N[C@H]1CC[C@@H](F)C1)c1ccc(Cl)cc1C(F)(F)F ZINC000344925028 1044696593 /nfs/dbraw/zinc/69/65/93/1044696593.db2.gz XCFSLGIACPMJDA-BDAKNGLRSA-N -1 0 345.745 3.528 20 0 EHADRM CC[C@@H]1CCC[C@H](C)N1C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000620577588 1125599779 /nfs/dbraw/zinc/59/97/79/1125599779.db2.gz JTXJATFBKSPBDC-GXTWGEPZSA-N -1 0 331.391 3.510 20 0 EHADRM CCCc1ccc([N-]S(=O)(=O)c2c(C)nn(C(C)C)c2C)cc1 ZINC000734419825 1131233307 /nfs/dbraw/zinc/23/33/07/1131233307.db2.gz RMVIXHCISKXNRZ-UHFFFAOYSA-N -1 0 335.473 3.834 20 0 EHADRM C[C@@H](C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1ccnn1C ZINC000622481534 1126705565 /nfs/dbraw/zinc/70/55/65/1126705565.db2.gz XEYXPMFOHSSBGN-ZCFIWIBFSA-N -1 0 348.617 3.828 20 0 EHADRM Cc1c(C(F)(F)F)[n-][nH]c1=NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000622565184 1126719564 /nfs/dbraw/zinc/71/95/64/1126719564.db2.gz PIZWLABBYRUVDY-WDEREUQCSA-N -1 0 343.736 3.554 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)c(C)c1O ZINC000171263494 1126758738 /nfs/dbraw/zinc/75/87/38/1126758738.db2.gz YQAXRLWZGGDUMQ-UHFFFAOYSA-N -1 0 329.780 3.602 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2nc(C(C)C)cs2)c1 ZINC000171962704 1126772039 /nfs/dbraw/zinc/77/20/39/1126772039.db2.gz ZSNBHYPSCZTDEL-UHFFFAOYSA-N -1 0 346.861 3.729 20 0 EHADRM O=C(N=c1ccc(-c2ccc(Cl)s2)n[n-]1)[C@@H]1CCC(F)(F)C1 ZINC000622929108 1126831056 /nfs/dbraw/zinc/83/10/56/1126831056.db2.gz CZTDLTZPPARYIP-MRVPVSSYSA-N -1 0 343.786 3.654 20 0 EHADRM Cc1ccc(C(=O)Nc2cc(Cl)cc(Br)c2[O-])o1 ZINC000174919477 1126863817 /nfs/dbraw/zinc/86/38/17/1126863817.db2.gz YOOHZUQNNAOSKZ-UHFFFAOYSA-N -1 0 330.565 3.962 20 0 EHADRM Cc1nc(C)c(C(=O)Nc2cc(Cl)cc(Br)c2[O-])o1 ZINC000175270636 1126869218 /nfs/dbraw/zinc/86/92/18/1126869218.db2.gz XGOWGXWDNIPRFX-UHFFFAOYSA-N -1 0 345.580 3.665 20 0 EHADRM C[C@@H]1c2sccc2CCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000921509955 1127154401 /nfs/dbraw/zinc/15/44/01/1127154401.db2.gz UKGHMFPZZSCTFN-SSDOTTSWSA-N -1 0 327.327 3.631 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc3[nH]c(C(F)F)nc3c2)c(C)o1 ZINC000183138363 1127364098 /nfs/dbraw/zinc/36/40/98/1127364098.db2.gz NWSWTXLLZJBNCV-UHFFFAOYSA-N -1 0 341.339 3.511 20 0 EHADRM CC(C)(NC(=O)c1cc(F)c(F)c([O-])c1F)c1ccc(F)c(F)c1 ZINC000183067281 1127361341 /nfs/dbraw/zinc/36/13/41/1127361341.db2.gz YKYBMQDBYLHDJY-UHFFFAOYSA-N -1 0 345.267 3.753 20 0 EHADRM O=C(CCc1ccc(O)cc1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000184095340 1127394694 /nfs/dbraw/zinc/39/46/94/1127394694.db2.gz GXAQHVBNWRRUHC-UHFFFAOYSA-N -1 0 326.179 3.976 20 0 EHADRM Cc1ccccc1[C@H]([N-]S(=O)(=O)[C@H](C)C(F)(F)F)C(C)(C)C ZINC000184647458 1127410069 /nfs/dbraw/zinc/41/00/69/1127410069.db2.gz DJWWVHYZZPWNCZ-YPMHNXCESA-N -1 0 337.407 3.952 20 0 EHADRM CCc1noc2ncc(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)cc12 ZINC000185566478 1127428026 /nfs/dbraw/zinc/42/80/26/1127428026.db2.gz ZWDWQQXBOOSCGA-UHFFFAOYSA-N -1 0 345.424 3.511 20 0 EHADRM O=C(c1nn(-c2ccc(Cl)cc2)cc1[O-])N(C1CC1)C1CCCC1 ZINC000194034298 1127450844 /nfs/dbraw/zinc/45/08/44/1127450844.db2.gz WWUDUKOAKQLFGB-UHFFFAOYSA-N -1 0 345.830 3.779 20 0 EHADRM O=C(Nc1nnc(/C=C\c2ccco2)s1)c1c([O-])cc(F)cc1F ZINC000255830729 1127625917 /nfs/dbraw/zinc/62/59/17/1127625917.db2.gz FACKSXVBOCLTLM-ARJAWSKDSA-N -1 0 349.318 3.538 20 0 EHADRM CCOc1ccc(NC(=O)c2s[n-]c(=O)c2Cl)cc1Cl ZINC001626034331 1127675241 /nfs/dbraw/zinc/67/52/41/1127675241.db2.gz GXZHUSVKGCEYBG-UHFFFAOYSA-N -1 0 333.196 3.807 20 0 EHADRM CC(C)[C@@H](Sc1ccccc1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000347515162 1128029757 /nfs/dbraw/zinc/02/97/57/1128029757.db2.gz JWAQSVMFCOKHHF-MAUKXSAKSA-N -1 0 349.496 3.907 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1 ZINC000060441987 1128101407 /nfs/dbraw/zinc/10/14/07/1128101407.db2.gz INSMRESAGBFVIG-UHFFFAOYSA-N -1 0 333.356 3.627 20 0 EHADRM O=C(NN1C[C@@H]2CCC[C@@H]2C1)c1cc(Cl)c2ccccc2c1[O-] ZINC001649096693 1128229225 /nfs/dbraw/zinc/22/92/25/1128229225.db2.gz BZHRBHLBNLGXSI-TXEJJXNPSA-N -1 0 330.815 3.576 20 0 EHADRM O=C([N-]S(=O)(=O)CC1CC1)c1ccc(-c2ccccc2Cl)o1 ZINC000073537580 1128395047 /nfs/dbraw/zinc/39/50/47/1128395047.db2.gz SMFZHUGFJNRCAP-UHFFFAOYSA-N -1 0 339.800 3.644 20 0 EHADRM C[C@@H](C(=O)[N-]S(=O)(=O)CC1CC1)c1c(Cl)cccc1Cl ZINC000073539036 1128395576 /nfs/dbraw/zinc/39/55/76/1128395576.db2.gz HLCUFXBKLDAXGE-MRVPVSSYSA-N -1 0 336.240 3.793 20 0 EHADRM Clc1ccc2[nH]c3c(c2c1)CCC[C@@H]3N=c1[n-]nc(C2CC2)o1 ZINC000624674716 1128424978 /nfs/dbraw/zinc/42/49/78/1128424978.db2.gz HFYFMDXPURRAQJ-AWEZNQCLSA-N -1 0 328.803 3.993 20 0 EHADRM FC(F)(F)[C@@H]1CCC[C@@H](CN=c2[n-]nc(C3CCOCC3)s2)C1 ZINC000338675789 1128476795 /nfs/dbraw/zinc/47/67/95/1128476795.db2.gz DQXCXEMQPWZQBS-ZYHUDNBSSA-N -1 0 349.422 3.635 20 0 EHADRM CCOc1cc(C)ccc1NC(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC000055150514 1128506991 /nfs/dbraw/zinc/50/69/91/1128506991.db2.gz NKRFSRFHGJWNHF-HNNXBMFYSA-N -1 0 327.380 3.591 20 0 EHADRM C[C@H](N=c1[n-]nc(C2CCOCC2)s1)c1c(F)cccc1Cl ZINC000338681706 1128515309 /nfs/dbraw/zinc/51/53/09/1128515309.db2.gz SFFNOVRHEHQWLT-VIFPVBQESA-N -1 0 341.839 3.820 20 0 EHADRM CCCc1ccc(CNc2c(C)nc([O-])n([C@@H](C)CC)c2=O)cc1 ZINC001168634984 1128520244 /nfs/dbraw/zinc/52/02/44/1128520244.db2.gz BNXWDCNETZBKFY-ZDUSSCGKSA-N -1 0 329.444 3.793 20 0 EHADRM O=C(N=c1nc(-c2ccccc2Cl)[n-]s1)NCC1CCCC1 ZINC000542729962 1128565288 /nfs/dbraw/zinc/56/52/88/1128565288.db2.gz PWJHWMOFUSZNCB-UHFFFAOYSA-N -1 0 336.848 3.592 20 0 EHADRM C[C@@H](N=c1nc(C(C)(C)C)o[n-]1)c1nc2ccccc2n1C(F)F ZINC000542765778 1128592955 /nfs/dbraw/zinc/59/29/55/1128592955.db2.gz OOLGHJOPHJSDSP-SECBINFHSA-N -1 0 335.358 3.707 20 0 EHADRM CCCOc1ccc(N=c2nc(C(F)(F)F)[n-]s2)cc1OC ZINC000624781909 1128746243 /nfs/dbraw/zinc/74/62/43/1128746243.db2.gz FEEFOOLFLVHMHL-UHFFFAOYSA-N -1 0 333.335 3.520 20 0 EHADRM Cc1noc(C)c1[C@@H](C)NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000072993082 1128746956 /nfs/dbraw/zinc/74/69/56/1128746956.db2.gz ZBAKZLNSGSMUIJ-MRVPVSSYSA-N -1 0 349.239 3.638 20 0 EHADRM Cc1noc(C)c1[C@H](C)NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000072993084 1128747304 /nfs/dbraw/zinc/74/73/04/1128747304.db2.gz ZBAKZLNSGSMUIJ-QMMMGPOBSA-N -1 0 349.239 3.638 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)nn2C)cc1 ZINC000129008090 1128804191 /nfs/dbraw/zinc/80/41/91/1128804191.db2.gz HGSHYUICRROFRF-UHFFFAOYSA-N -1 0 333.457 3.577 20 0 EHADRM CCc1n[n-]c(=NC(=O)NC2CCC(c3ccc(F)cc3)CC2)s1 ZINC000542900933 1128821948 /nfs/dbraw/zinc/82/19/48/1128821948.db2.gz AXKSBTDEMWXLBZ-UHFFFAOYSA-N -1 0 348.447 3.509 20 0 EHADRM O=S(=O)([N-]c1ccc(N2CCCC2)cc1)c1ccc(Cl)s1 ZINC000007051711 1128845569 /nfs/dbraw/zinc/84/55/69/1128845569.db2.gz OSJWGBOWBWZBLD-UHFFFAOYSA-N -1 0 342.873 3.803 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)OC1(CCCC1)O2)c1ccccc1F ZINC000007055666 1128845863 /nfs/dbraw/zinc/84/58/63/1128845863.db2.gz LUJZKQDUAMUWOX-UHFFFAOYSA-N -1 0 349.383 3.668 20 0 EHADRM COc1ccccc1[C@@H]1CCCN1C(=O)c1c([O-])cc(F)cc1F ZINC000076019929 1128898712 /nfs/dbraw/zinc/89/87/12/1128898712.db2.gz BZLKDUPSZJUBID-AWEZNQCLSA-N -1 0 333.334 3.656 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2ccc([C@@H]3CCCOC3)cc2)c1 ZINC000668277501 1120350279 /nfs/dbraw/zinc/35/02/79/1120350279.db2.gz JBSWTOLBWKTYPB-OAHLLOKOSA-N -1 0 343.354 3.670 20 0 EHADRM CC[C@H](NCc1ccc(Cl)cc1Cl)c1nc(C(=O)[O-])c[nH]1 ZINC000904065899 1120351105 /nfs/dbraw/zinc/35/11/05/1120351105.db2.gz VVJDXGOTPYJPLX-NSHDSACASA-N -1 0 328.199 3.656 20 0 EHADRM C[C@@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000494326767 1120535952 /nfs/dbraw/zinc/53/59/52/1120535952.db2.gz GPUHAHOCYOQVHF-ZETCQYMHSA-N -1 0 349.296 3.503 20 0 EHADRM Cc1ncc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)s1 ZINC000494487382 1120571183 /nfs/dbraw/zinc/57/11/83/1120571183.db2.gz QUEXFNCCZHRDGH-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)C[C@H](C)c1ccccc1 ZINC000494498149 1120573107 /nfs/dbraw/zinc/57/31/07/1120573107.db2.gz VNEYXKCYKHKBNC-LBPRGKRZSA-N -1 0 339.844 3.894 20 0 EHADRM Cc1occc1S([O-])=CC(=O)N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000189625988 1120602118 /nfs/dbraw/zinc/60/21/18/1120602118.db2.gz QFAMCCIUKBJCSL-SHACYNPGSA-N -1 0 347.480 3.772 20 0 EHADRM CS[C@@H]1CCC[C@@H](NC(=O)c2cc(Br)ccc2O)C1 ZINC000227355340 1120877547 /nfs/dbraw/zinc/87/75/47/1120877547.db2.gz PHMURVKOMLEAHR-GHMZBOCLSA-N -1 0 344.274 3.559 20 0 EHADRM CCCCC[C@@H]1CCCN1C(=O)N=c1[n-]nc(SCC)s1 ZINC000495155642 1120971278 /nfs/dbraw/zinc/97/12/78/1120971278.db2.gz ZRXCLJUMBRAYJG-LLVKDONJSA-N -1 0 328.507 3.649 20 0 EHADRM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000761885398 1121001733 /nfs/dbraw/zinc/00/17/33/1121001733.db2.gz CNVZEIWYSHNRFG-UHFFFAOYSA-N -1 0 337.828 3.960 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Nc1ccccc1OC(F)F ZINC000324360996 1121045050 /nfs/dbraw/zinc/04/50/50/1121045050.db2.gz QWEGZAJZUITCKJ-NSHDSACASA-N -1 0 342.342 3.539 20 0 EHADRM CSCc1ccc([N-]S(=O)(=O)c2ccc(C)cc2F)cc1 ZINC000609218696 1121132340 /nfs/dbraw/zinc/13/23/40/1121132340.db2.gz GQWHIYAWLIAZJF-UHFFFAOYSA-N -1 0 325.430 3.798 20 0 EHADRM CC[C@H](CC(=O)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl)C(C)C ZINC000762163299 1121137118 /nfs/dbraw/zinc/13/71/18/1121137118.db2.gz KRRBYKMBUFFGNL-LLVKDONJSA-N -1 0 349.855 3.665 20 0 EHADRM C/C(=C\C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC000762231896 1121199376 /nfs/dbraw/zinc/19/93/76/1121199376.db2.gz UUPPQUCMDHEHQP-JRJUITNWSA-N -1 0 337.419 3.682 20 0 EHADRM Cc1c(NC(=O)c2cc(-c3cccc(F)c3)no2)cccc1C(=O)[O-] ZINC000915150001 1121222191 /nfs/dbraw/zinc/22/21/91/1121222191.db2.gz CQNACAVGFVUQFF-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM Cc1cc(C)c(NC(=O)c2ccc(Br)c([O-])c2)cc1O ZINC000762696035 1121422578 /nfs/dbraw/zinc/42/25/78/1121422578.db2.gz TUNMPTNTBZCFTI-UHFFFAOYSA-N -1 0 336.185 3.729 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000236916656 1121468173 /nfs/dbraw/zinc/46/81/73/1121468173.db2.gz XQOHSZOQUUBPQT-WCQGTBRESA-N -1 0 344.238 3.809 20 0 EHADRM Cc1cc2[nH]c(C(=O)N(C)Cc3ccc(C(=O)[O-])cc3)cc2c(C)c1 ZINC000237065695 1121472799 /nfs/dbraw/zinc/47/27/99/1121472799.db2.gz YPSOJXYILWVNQT-UHFFFAOYSA-N -1 0 336.391 3.755 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cnn(-c2ccccc2)c1 ZINC000762966292 1121618461 /nfs/dbraw/zinc/61/84/61/1121618461.db2.gz DYNXBBHDKWMLTP-UHFFFAOYSA-N -1 0 336.376 3.555 20 0 EHADRM Cc1cccc(C)c1OCC(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000762968424 1121619325 /nfs/dbraw/zinc/61/93/25/1121619325.db2.gz YJFLREWKAOMWNQ-UHFFFAOYSA-N -1 0 328.393 3.751 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)[C@@H]2CCCc3sccc32)cc1 ZINC000322393015 1121646920 /nfs/dbraw/zinc/64/69/20/1121646920.db2.gz RBYWEABVMLMISY-RZIFZGNASA-N -1 0 327.405 3.905 20 0 EHADRM CC(=O)c1ccc(S(=O)(=O)[N-]c2nc3ccc(C)cc3s2)cc1 ZINC000057717498 1121707367 /nfs/dbraw/zinc/70/73/67/1121707367.db2.gz NKMOEXDMVBNVIC-UHFFFAOYSA-N -1 0 346.433 3.608 20 0 EHADRM O=C(Nc1ccccc1N1CCCCC1)c1cc(=O)c2ccccc2[n-]1 ZINC000055544799 1121839277 /nfs/dbraw/zinc/83/92/77/1121839277.db2.gz XONMTIAFDKBFNI-UHFFFAOYSA-N -1 0 347.418 3.771 20 0 EHADRM CC[C@H](C)N(OC)C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000763233230 1121917190 /nfs/dbraw/zinc/91/71/90/1121917190.db2.gz OUNCKCQKOUTGMV-ZDUSSCGKSA-N -1 0 331.416 3.503 20 0 EHADRM CCOC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000916069927 1122041605 /nfs/dbraw/zinc/04/16/05/1122041605.db2.gz PUABDTBFJYDFHO-UHFFFAOYSA-N -1 0 334.759 3.866 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2csc3ccccc23)c(C)c1 ZINC000916173362 1122088152 /nfs/dbraw/zinc/08/81/52/1122088152.db2.gz UDDKSVIEGBZZAU-UHFFFAOYSA-N -1 0 345.445 3.637 20 0 EHADRM CCSCc1ccnc([N-]S(=O)(=O)c2cc3ccccc3o2)c1 ZINC000123733282 1122262075 /nfs/dbraw/zinc/26/20/75/1122262075.db2.gz LIGNPBQMMYYRLD-UHFFFAOYSA-N -1 0 348.449 3.882 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(F)cc(C(=O)N3CCCCC3)c2)cc1 ZINC001212215401 1122277275 /nfs/dbraw/zinc/27/72/75/1122277275.db2.gz ISDFNUFXZZAIJI-UHFFFAOYSA-N -1 0 342.370 3.894 20 0 EHADRM CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(CCC)cc1 ZINC000916790583 1122349470 /nfs/dbraw/zinc/34/94/70/1122349470.db2.gz LUTOSVAPRWCABA-OAHLLOKOSA-N -1 0 325.474 3.660 20 0 EHADRM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000125903953 1122356206 /nfs/dbraw/zinc/35/62/06/1122356206.db2.gz TXLPIYSYJOILIE-SNVBAGLBSA-N -1 0 343.807 3.987 20 0 EHADRM CCC(=O)c1cccc(S(=O)(=O)[N-]c2nc3ccccc3s2)c1 ZINC000126134315 1122387355 /nfs/dbraw/zinc/38/73/55/1122387355.db2.gz RALOKTWOAFJFJL-UHFFFAOYSA-N -1 0 346.433 3.690 20 0 EHADRM CCCCCOc1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[nH]2)cc1 ZINC000670370108 1122581020 /nfs/dbraw/zinc/58/10/20/1122581020.db2.gz YICBASBIJJRQFP-YFHOEESVSA-N -1 0 328.368 3.620 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c(C)n1 ZINC000128677121 1122645926 /nfs/dbraw/zinc/64/59/26/1122645926.db2.gz WMJWSESLKDDKKV-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)ccc2O)c1 ZINC000498012890 1122725838 /nfs/dbraw/zinc/72/58/38/1122725838.db2.gz QKRQEGUHKNRKRH-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM COc1ccc(NS(=O)(=O)c2ccc(C)cc2Cl)c(C)c1 ZINC000170708310 1122787776 /nfs/dbraw/zinc/78/77/76/1122787776.db2.gz KPBJAWGUVIQHLE-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM CCCN(C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)[C@@H]1CCc2ccccc2C1 ZINC000262761933 1122871908 /nfs/dbraw/zinc/87/19/08/1122871908.db2.gz ZTZTXJGFFFKJKY-ZHALLVOQSA-N -1 0 343.467 3.674 20 0 EHADRM CC(C)(C)CN(Cc1ccccc1)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000498647511 1123006886 /nfs/dbraw/zinc/00/68/86/1123006886.db2.gz SYIFOSZXGUKOGD-IRXDYDNUSA-N -1 0 331.456 3.952 20 0 EHADRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cnn(C(C)(C)C)c2)c(C)c1C ZINC000065833985 1129095819 /nfs/dbraw/zinc/09/58/19/1129095819.db2.gz GOBSUOHURUTJBR-UHFFFAOYSA-N -1 0 349.500 3.981 20 0 EHADRM CC(C)n1cnc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1 ZINC000131436330 1123106141 /nfs/dbraw/zinc/10/61/41/1123106141.db2.gz LGOPAYFYKUDXRO-UHFFFAOYSA-N -1 0 334.228 3.572 20 0 EHADRM Cc1cc(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)no1 ZINC000113993001 1129101786 /nfs/dbraw/zinc/10/17/86/1129101786.db2.gz IFYFCIQFHIKTRE-UHFFFAOYSA-N -1 0 341.367 3.678 20 0 EHADRM CCN(Cc1cccc(NC(=O)c2ccc(Cl)cc2[O-])c1)C(C)=O ZINC000073937877 1123231744 /nfs/dbraw/zinc/23/17/44/1123231744.db2.gz XPSBNKCGJOJERZ-UHFFFAOYSA-N -1 0 346.814 3.666 20 0 EHADRM CCC/C(C)=C\C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000920323818 1123357104 /nfs/dbraw/zinc/35/71/04/1123357104.db2.gz HIUUAARSQLXSPQ-HJWRWDBZSA-N -1 0 336.240 3.545 20 0 EHADRM CN(Cc1ccn(-c2ccccc2)n1)C(=O)c1c(O)cccc1Cl ZINC000920456331 1123371112 /nfs/dbraw/zinc/37/11/12/1123371112.db2.gz KCVURSUVGRUTFR-UHFFFAOYSA-N -1 0 341.798 3.504 20 0 EHADRM CO[C@H](CNC(=O)c1ccc([O-])c(Cl)c1)c1cccc(Cl)c1 ZINC000075214686 1123382675 /nfs/dbraw/zinc/38/26/75/1123382675.db2.gz BCVICULODYTXBZ-OAHLLOKOSA-N -1 0 340.206 3.817 20 0 EHADRM Cc1cccc(CC(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000237622874 1123528258 /nfs/dbraw/zinc/52/82/58/1123528258.db2.gz QVOTVYUWKWWTMP-INIZCTEOSA-N -1 0 349.789 3.662 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC[C@H](Cc2ccccc2)c2ccccc2)o1 ZINC000238018990 1123555920 /nfs/dbraw/zinc/55/59/20/1123555920.db2.gz ZEQJQMAEKOIOOM-KRWDZBQOSA-N -1 0 349.386 3.734 20 0 EHADRM C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)C[C@@]1(C)C(=O)[O-] ZINC000564334986 1123616884 /nfs/dbraw/zinc/61/68/84/1123616884.db2.gz IVXRVZWTPIPWMS-HTRFZCGXSA-N -1 0 337.419 3.513 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000609693919 1123649192 /nfs/dbraw/zinc/64/91/92/1123649192.db2.gz MMZHICCNQAUBST-UHFFFAOYSA-N -1 0 339.420 3.637 20 0 EHADRM CC(=O)Nc1cncc(Nc2c(Cl)cc(C(=O)[O-])cc2Cl)c1 ZINC001214512385 1129137307 /nfs/dbraw/zinc/13/73/07/1129137307.db2.gz ZFSNUODYISEEAJ-UHFFFAOYSA-N -1 0 340.166 3.789 20 0 EHADRM CC(C)Cn1nccc1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000066249899 1129142687 /nfs/dbraw/zinc/14/26/87/1129142687.db2.gz YUVAWRVMIHXFCG-UHFFFAOYSA-N -1 0 348.255 3.647 20 0 EHADRM CCc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2F)s1 ZINC000064697207 1123718172 /nfs/dbraw/zinc/71/81/72/1123718172.db2.gz SXEPCFNMFHZZMU-UHFFFAOYSA-N -1 0 347.820 3.797 20 0 EHADRM O=C([O-])CCCCC(=O)NCC1(Sc2ccccc2)CCCC1 ZINC000263294768 1123747088 /nfs/dbraw/zinc/74/70/88/1123747088.db2.gz MDFRPAYBMGXOFR-UHFFFAOYSA-N -1 0 335.469 3.853 20 0 EHADRM C[C@H](CNC(=O)CCCCC(=O)[O-])c1c(Cl)cccc1Cl ZINC000263324102 1123806553 /nfs/dbraw/zinc/80/65/53/1123806553.db2.gz SGEORQXVUZRIED-SNVBAGLBSA-N -1 0 332.227 3.858 20 0 EHADRM C[C@@H](NC(=O)CCCCC(=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000263345519 1123818541 /nfs/dbraw/zinc/81/85/41/1123818541.db2.gz YWIBZPQFLYHJRH-MRXNPFEDSA-N -1 0 339.435 3.968 20 0 EHADRM Cc1cc(C(=O)NC2CCCCCCC2)cc(C)c1OCC(=O)[O-] ZINC000237718872 1123822772 /nfs/dbraw/zinc/82/27/72/1123822772.db2.gz VCJKJFMDHZIGSO-UHFFFAOYSA-N -1 0 333.428 3.610 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)NCC2(c3ccccc3)CCC2)s1 ZINC000615567717 1123827771 /nfs/dbraw/zinc/82/77/71/1123827771.db2.gz VXMIYIMRHCRTDS-UHFFFAOYSA-N -1 0 344.484 3.501 20 0 EHADRM Cc1ccc2c(CC(=O)N3CCC[C@H](CCC(=O)[O-])C3)coc2c1C ZINC000237870924 1123897065 /nfs/dbraw/zinc/89/70/65/1123897065.db2.gz BODMFTYUEDSQLT-OAHLLOKOSA-N -1 0 343.423 3.696 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2cc(-c3ccccc3F)on2)c1 ZINC000615939039 1123910789 /nfs/dbraw/zinc/91/07/89/1123910789.db2.gz OQSDOSZTIUSROJ-UHFFFAOYSA-N -1 0 344.273 3.570 20 0 EHADRM O=C([O-])c1ccoc1CSc1ccccc1C(=O)N1CCCC1 ZINC000237965985 1123925725 /nfs/dbraw/zinc/92/57/25/1123925725.db2.gz KNBZFHLSPOAYIH-UHFFFAOYSA-N -1 0 331.393 3.506 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000238094516 1123974321 /nfs/dbraw/zinc/97/43/21/1123974321.db2.gz NLBIIMIZMZWCQC-UHFFFAOYSA-N -1 0 337.847 3.913 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000238105756 1123979743 /nfs/dbraw/zinc/97/97/43/1123979743.db2.gz MJYSXVWVHGOVGS-UHFFFAOYSA-N -1 0 331.334 3.860 20 0 EHADRM O=C([O-])CCCCCNC(=O)/C=C/c1cccc(OC2CCCC2)c1 ZINC000238156341 1123992640 /nfs/dbraw/zinc/99/26/40/1123992640.db2.gz JOZUMRHZQIJLLT-OUKQBFOZSA-N -1 0 345.439 3.782 20 0 EHADRM O=C(N[C@H](c1ccccc1)C1(CO)CCC1)c1ccc([O-])c(Cl)c1 ZINC000616880351 1124044626 /nfs/dbraw/zinc/04/46/26/1124044626.db2.gz LFEKQSGSPWMXDV-QGZVFWFLSA-N -1 0 345.826 3.679 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)C2(Cc3ccccc3Cl)CC2)c1 ZINC000263552107 1124083793 /nfs/dbraw/zinc/08/37/93/1124083793.db2.gz WYUYAGYNTGNWKG-UHFFFAOYSA-N -1 0 343.810 3.929 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)c1ccccc1 ZINC000543065095 1129178926 /nfs/dbraw/zinc/17/89/26/1129178926.db2.gz WAMZBWJUSJNGPZ-UJAMICLKSA-N -1 0 329.440 3.530 20 0 EHADRM CCCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(C)s1 ZINC000735204240 1131316672 /nfs/dbraw/zinc/31/66/72/1131316672.db2.gz SVFSLYYPZASCLQ-ZDUSSCGKSA-N -1 0 331.503 3.858 20 0 EHADRM CCCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)CCc1ccccc1 ZINC000735209753 1131317631 /nfs/dbraw/zinc/31/76/31/1131317631.db2.gz GTXHMPPAVUVBSJ-KRWDZBQOSA-N -1 0 339.501 3.672 20 0 EHADRM N#CC(=C([O-])c1ccc(Cn2cccn2)o1)c1nc2ccccc2s1 ZINC000069833558 1125077452 /nfs/dbraw/zinc/07/74/52/1125077452.db2.gz PFDSMOKYZKHXFP-ZDUSSCGKSA-N -1 0 348.387 3.624 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N2CC(C)(C)[C@@H]2c2ccccc2)s1 ZINC000619274342 1125329005 /nfs/dbraw/zinc/32/90/05/1125329005.db2.gz IPJODQDHYKXLKY-HNNXBMFYSA-N -1 0 344.484 3.774 20 0 EHADRM CC(C)c1cc(C(=O)[N-]c2nc(-c3ccc(F)cc3)ns2)on1 ZINC000070864033 1125411224 /nfs/dbraw/zinc/41/12/24/1125411224.db2.gz OZKAVNGRJXBEQC-UHFFFAOYSA-N -1 0 332.360 3.708 20 0 EHADRM O=C([O-])c1cccc2oc(/C=C/c3cn4cc(Cl)ccc4n3)nc21 ZINC000670369688 1129206038 /nfs/dbraw/zinc/20/60/38/1129206038.db2.gz FFNCEFAIGDFWQI-FNORWQNLSA-N -1 0 339.738 3.998 20 0 EHADRM COc1ccc(CO)c(-c2cccc(C3(C(=O)[O-])CCCC3)c2)c1 ZINC000657208228 1129207522 /nfs/dbraw/zinc/20/75/22/1129207522.db2.gz YKNVICTXFZCWSW-UHFFFAOYSA-N -1 0 326.392 3.751 20 0 EHADRM O=C([N-]OCC(F)(F)F)C(F)(F)c1cccc(Cl)c1Cl ZINC000843826207 1129293514 /nfs/dbraw/zinc/29/35/14/1129293514.db2.gz DBMFJBUSYMZYFF-UHFFFAOYSA-N -1 0 338.059 3.695 20 0 EHADRM CCn1nc(C)c([N-]S(=O)(=O)c2ccc(CCC(C)C)cc2)c1C ZINC000172903931 1129309819 /nfs/dbraw/zinc/30/98/19/1129309819.db2.gz JTIKUSKMKNFCRA-UHFFFAOYSA-N -1 0 349.500 3.909 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1 ZINC000068256613 1129355951 /nfs/dbraw/zinc/35/59/51/1129355951.db2.gz HGOYJOLULLXKSF-SJORKVTESA-N -1 0 331.412 3.717 20 0 EHADRM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1occc1-c1ccccc1 ZINC000068338552 1129362897 /nfs/dbraw/zinc/36/28/97/1129362897.db2.gz HIORAXRJOHKXQQ-UHFFFAOYSA-N -1 0 347.330 3.955 20 0 EHADRM O=C([O-])[C@@H]1CCCCCN1C(=O)c1cc(F)c(Cl)cc1Cl ZINC000080987060 1129392648 /nfs/dbraw/zinc/39/26/48/1129392648.db2.gz NZZUGYQZRDBYFK-LBPRGKRZSA-N -1 0 334.174 3.602 20 0 EHADRM Cc1ccc(F)c(C(=O)N=c2nc(-c3ccsc3)[n-]s2)c1F ZINC000499710483 1129393237 /nfs/dbraw/zinc/39/32/37/1129393237.db2.gz BTFNAVNDNGJOKM-UHFFFAOYSA-N -1 0 337.376 3.527 20 0 EHADRM C[C@@H]1C[C@H](C(=O)Nc2cc(Br)cc(Cl)c2[O-])CCO1 ZINC000272118537 1129423410 /nfs/dbraw/zinc/42/34/10/1129423410.db2.gz ZBCGETSPKAVOBR-HTQZYQBOSA-N -1 0 348.624 3.562 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)[C@@H]1CC[C@@H]3CCCC[C@@H]3C1)C2 ZINC000328054377 1129545222 /nfs/dbraw/zinc/54/52/22/1129545222.db2.gz HVMUTHWWNOFOTO-ARFHVFGLSA-N -1 0 341.451 3.876 20 0 EHADRM O=C([O-])CN(C(=O)Nc1ccccc1C(F)(F)F)C1CCCC1 ZINC000390741429 1129631494 /nfs/dbraw/zinc/63/14/94/1129631494.db2.gz VDTGNHYTDPDYKU-UHFFFAOYSA-N -1 0 330.306 3.567 20 0 EHADRM N#Cc1cc(N2CCC[C@H](CCC(=O)[O-])C2)ccc1C(F)(F)F ZINC000391427792 1129666200 /nfs/dbraw/zinc/66/62/00/1129666200.db2.gz ZRMYFXKQZYOLAJ-LLVKDONJSA-N -1 0 326.318 3.658 20 0 EHADRM CC(C)c1n[n-]c(=NCc2c[nH]nc2-c2ccc(Cl)cc2)s1 ZINC000347793156 1129793383 /nfs/dbraw/zinc/79/33/83/1129793383.db2.gz LITRUPMKIUQHBT-UHFFFAOYSA-N -1 0 333.848 3.739 20 0 EHADRM CCC(CC)c1n[n-]c(=NCc2cc3ccccc3[nH]c2=O)s1 ZINC000347812167 1129857090 /nfs/dbraw/zinc/85/70/90/1129857090.db2.gz JEPWPPKCLOSLGI-UHFFFAOYSA-N -1 0 328.441 3.730 20 0 EHADRM CC(C)c1nc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c[nH]1 ZINC000673883057 1129894883 /nfs/dbraw/zinc/89/48/83/1129894883.db2.gz FAWXWGOYDHJXPM-UHFFFAOYSA-N -1 0 334.228 3.641 20 0 EHADRM O=C([O-])c1ccc(Nc2ccnn2-c2cccc(F)c2)c(F)c1F ZINC001212511790 1129912148 /nfs/dbraw/zinc/91/21/48/1129912148.db2.gz FSWGJTYXZTYCOI-UHFFFAOYSA-N -1 0 333.269 3.731 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(-c3ccccn3)nc2)c(F)c1F ZINC001212512390 1129920792 /nfs/dbraw/zinc/92/07/92/1129920792.db2.gz KBDNARAVMZTGJJ-UHFFFAOYSA-N -1 0 327.290 3.864 20 0 EHADRM O=C([O-])c1ccc(Nc2cncc(-c3ccccn3)c2)c(F)c1F ZINC001212512610 1129921778 /nfs/dbraw/zinc/92/17/78/1129921778.db2.gz VHNRDJURNLTJEX-UHFFFAOYSA-N -1 0 327.290 3.864 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc3c(c2)C(=O)N(C2CC2)C3)c(F)c1F ZINC001212516064 1129928558 /nfs/dbraw/zinc/92/85/58/1129928558.db2.gz XMWAZYOUWXUPIS-UHFFFAOYSA-N -1 0 344.317 3.525 20 0 EHADRM CSc1cccc(S(=O)(=O)[N-]c2ncc(C(C)(C)C)s2)c1 ZINC000509192657 1129947587 /nfs/dbraw/zinc/94/75/87/1129947587.db2.gz AHSZVJYIMIFCHM-UHFFFAOYSA-N -1 0 342.511 3.963 20 0 EHADRM CCOc1ccc(CN=c2[n-]nc(CC3CCCC3)o2)cc1OCC ZINC000347889304 1129985336 /nfs/dbraw/zinc/98/53/36/1129985336.db2.gz WBSGOKDPEIDTPE-UHFFFAOYSA-N -1 0 345.443 3.634 20 0 EHADRM C[C@H](CNC(=O)c1ccc2[n-]c(=S)oc2c1)Oc1ccccc1F ZINC000074088827 1129992770 /nfs/dbraw/zinc/99/27/70/1129992770.db2.gz XJSNROWLUXJDFM-SNVBAGLBSA-N -1 0 346.383 3.827 20 0 EHADRM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000171013637 1129997599 /nfs/dbraw/zinc/99/75/99/1129997599.db2.gz QWPHCLIGJBFHIO-JTQLQIEISA-N -1 0 343.807 3.987 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000674234055 1130032084 /nfs/dbraw/zinc/03/20/84/1130032084.db2.gz SSFUFMNHLJTUDR-LSDHHAIUSA-N -1 0 329.396 3.521 20 0 EHADRM Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1cncc(O)c1 ZINC000171865770 1130094963 /nfs/dbraw/zinc/09/49/63/1130094963.db2.gz QHRDZMBVAHMNKA-LLVKDONJSA-N -1 0 339.420 3.710 20 0 EHADRM O=S(=O)(Nc1cc(F)ccc1Cl)c1cccc2cccnc21 ZINC000172200329 1130114344 /nfs/dbraw/zinc/11/43/44/1130114344.db2.gz RPXYXLKMZWNGLM-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)n1 ZINC000674603317 1130147312 /nfs/dbraw/zinc/14/73/12/1130147312.db2.gz BZGIEWGQRLLDLO-GOEBONIOSA-N -1 0 341.455 3.791 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000674650117 1130163332 /nfs/dbraw/zinc/16/33/32/1130163332.db2.gz DYPLOCGHROHLAI-KBPBESRZSA-N -1 0 341.329 3.787 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000674682020 1130172152 /nfs/dbraw/zinc/17/21/52/1130172152.db2.gz ABPBFQBFEPVMSP-KGLIPLIRSA-N -1 0 341.329 3.787 20 0 EHADRM CSc1ccncc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000674715449 1130179157 /nfs/dbraw/zinc/17/91/57/1130179157.db2.gz QAKQNRYJUFFYQT-UHFFFAOYSA-N -1 0 349.264 3.911 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000173478362 1130237787 /nfs/dbraw/zinc/23/77/87/1130237787.db2.gz ZKBIMRQEPCBQFZ-RYUDHWBXSA-N -1 0 345.782 3.559 20 0 EHADRM CC(C)(CC(=O)NCC1(Sc2ccccc2)CCCC1)C(=O)[O-] ZINC000675000380 1130238172 /nfs/dbraw/zinc/23/81/72/1130238172.db2.gz DFKIZKNONMNJST-UHFFFAOYSA-N -1 0 335.469 3.709 20 0 EHADRM C[C@@H](c1ccccc1)n1ccc(NC(=O)c2c([O-])cc(F)cc2F)n1 ZINC000675415616 1130360921 /nfs/dbraw/zinc/36/09/21/1130360921.db2.gz VYNYHFGGKSWIHA-NSHDSACASA-N -1 0 343.333 3.729 20 0 EHADRM Cc1ccc(-c2ncc(C(=O)N(CCC(=O)[O-])C3CC3)s2)c(C)c1 ZINC000675967878 1130511391 /nfs/dbraw/zinc/51/13/91/1130511391.db2.gz VBTBLASOKUHROM-UHFFFAOYSA-N -1 0 344.436 3.506 20 0 EHADRM O=C([O-])c1cc(NC(=O)Cc2c[nH]c3cc(F)ccc23)ccc1Cl ZINC000676003757 1130516150 /nfs/dbraw/zinc/51/61/50/1130516150.db2.gz VAKQXQIZFFWQJR-UHFFFAOYSA-N -1 0 346.745 3.840 20 0 EHADRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)/C=C(/C)c1ccccc1Cl ZINC000732909258 1130969373 /nfs/dbraw/zinc/96/93/73/1130969373.db2.gz YAQQQVZVLGATLW-IXJPEXDMSA-N -1 0 343.876 3.626 20 0 EHADRM O=C(c1ccc(F)cc1[O-])N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000282618301 1131114305 /nfs/dbraw/zinc/11/43/05/1131114305.db2.gz ZOWXXAOCTPBQTK-ZDUSSCGKSA-N -1 0 331.309 3.726 20 0 EHADRM CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000734079270 1131194065 /nfs/dbraw/zinc/19/40/65/1131194065.db2.gz BJALWCCFNPUIMY-MRXNPFEDSA-N -1 0 337.485 3.715 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1cccc(C)c1 ZINC000734080432 1131194506 /nfs/dbraw/zinc/19/45/06/1131194506.db2.gz QIXPHYGDSOUMFV-MRXNPFEDSA-N -1 0 337.485 3.797 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)c2cc3occc3s2)cc1 ZINC000737318818 1131446882 /nfs/dbraw/zinc/44/68/82/1131446882.db2.gz OURHXPHLMUFVEP-UHFFFAOYSA-N -1 0 349.433 3.566 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)c2cc3cc(F)ccc3o2)cc1 ZINC000738558436 1131473079 /nfs/dbraw/zinc/47/30/79/1131473079.db2.gz LWVSRRRWMFQLRR-BAQGIRSFSA-N -1 0 325.295 3.922 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)[N-]S(=O)(=O)C2CCCCC2)cc1 ZINC000739174755 1131492651 /nfs/dbraw/zinc/49/26/51/1131492651.db2.gz PAQVPALIUFJNNT-CQSZACIVSA-N -1 0 337.485 3.521 20 0 EHADRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)C[C@@H](C)c1ccc(CC)cc1 ZINC000739182554 1131493330 /nfs/dbraw/zinc/49/33/30/1131493330.db2.gz CHHVSXUPABZDMR-HUUCEWRRSA-N -1 0 339.501 3.625 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccnn1C1CCCCC1 ZINC000741651807 1131632256 /nfs/dbraw/zinc/63/22/56/1131632256.db2.gz AJBQSIVFXLEZEO-UHFFFAOYSA-N -1 0 325.459 3.559 20 0 EHADRM OC1CN(Cc2ccc(Nc3ccc4[n-]c(=S)sc4c3)cc2)C1 ZINC001212670204 1131780789 /nfs/dbraw/zinc/78/07/89/1131780789.db2.gz LZEAEIRNRLSCLD-UHFFFAOYSA-N -1 0 343.477 3.505 20 0 EHADRM CCCn1cc([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)cn1 ZINC000743261381 1131886501 /nfs/dbraw/zinc/88/65/01/1131886501.db2.gz CMIXEOCTVUEIEE-UHFFFAOYSA-N -1 0 348.255 3.709 20 0 EHADRM O=S(=O)([O-])c1c(Nc2ccc3c(c2)CCO3)ccc2ccccc21 ZINC001174012269 1132203007 /nfs/dbraw/zinc/20/30/07/1132203007.db2.gz UGRZJVBUFLIDKO-UHFFFAOYSA-N -1 0 341.388 3.765 20 0 EHADRM O=C(NC1CCCCC1)c1ccc(Nc2cc(=O)[n-]c(Cl)n2)cc1 ZINC001174082548 1132240260 /nfs/dbraw/zinc/24/02/60/1132240260.db2.gz QQIYSOBDMPUJIY-UHFFFAOYSA-N -1 0 346.818 3.642 20 0 EHADRM CC(C)(C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1)c1cccc(F)c1 ZINC000737571903 1132241943 /nfs/dbraw/zinc/24/19/43/1132241943.db2.gz UMYBPKRZZUDNMU-FLIBITNWSA-N -1 0 327.355 3.840 20 0 EHADRM COc1ccc(Nc2c(C)cc(C)cc2S(=O)(=O)[O-])cc1Cl ZINC001174152923 1132256562 /nfs/dbraw/zinc/25/65/62/1132256562.db2.gz JYXSFUUOXIAVOR-UHFFFAOYSA-N -1 0 341.816 3.956 20 0 EHADRM C[C@@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)c1ccc(F)cc1F ZINC000746100876 1132370977 /nfs/dbraw/zinc/37/09/77/1132370977.db2.gz SVNQDOWZKRKYQG-MRVPVSSYSA-N -1 0 334.347 3.886 20 0 EHADRM Cc1ccc(Br)c(Nc2cccc(/C=C/C(=O)[O-])c2)n1 ZINC001174494100 1132371158 /nfs/dbraw/zinc/37/11/58/1132371158.db2.gz AHYOJDNWBZMLCG-SOFGYWHQSA-N -1 0 333.185 3.994 20 0 EHADRM COc1cc(Nc2cccc(/C=C/C(=O)[O-])c2)c(Br)cn1 ZINC001174495825 1132371988 /nfs/dbraw/zinc/37/19/88/1132371988.db2.gz YMUQWXUEWOVWRK-AATRIKPKSA-N -1 0 349.184 3.694 20 0 EHADRM O=S(=O)([O-])c1c(Nc2ccc3cn[nH]c3c2)ccc2ccccc21 ZINC001174501275 1132390610 /nfs/dbraw/zinc/39/06/10/1132390610.db2.gz KCVJIGFOOSWPTA-UHFFFAOYSA-N -1 0 339.376 3.706 20 0 EHADRM Cc1cccc([C@H](C)CNC(=O)c2ccc3[n-]c(=S)oc3c2)c1 ZINC000746291209 1132403577 /nfs/dbraw/zinc/40/35/77/1132403577.db2.gz OVPBHJOANKKMBM-GFCCVEGCSA-N -1 0 326.421 3.958 20 0 EHADRM COc1ccc(Cn2cc(Nc3ccc(C(=O)[O-])cc3)c(C)n2)cc1 ZINC001174577753 1132404580 /nfs/dbraw/zinc/40/45/80/1132404580.db2.gz GOKYEAHSRMZWKG-UHFFFAOYSA-N -1 0 337.379 3.690 20 0 EHADRM COc1cc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)cc(F)c1F ZINC001174586313 1132408698 /nfs/dbraw/zinc/40/86/98/1132408698.db2.gz QPTYYJUCSUSJOU-UHFFFAOYSA-N -1 0 349.742 3.617 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc(O)cc1Br ZINC001174675434 1132432594 /nfs/dbraw/zinc/43/25/94/1132432594.db2.gz KNILQHJOQDOLNY-UHFFFAOYSA-N -1 0 338.157 3.605 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cc(Br)ccc1O ZINC001174677629 1132433814 /nfs/dbraw/zinc/43/38/14/1132433814.db2.gz PGSWMHPUDYUBHR-UHFFFAOYSA-N -1 0 338.157 3.605 20 0 EHADRM COc1cc(Nc2cc(Br)ncc2C)ccc1C(=O)[O-] ZINC001174682879 1132434621 /nfs/dbraw/zinc/43/46/21/1132434621.db2.gz PQQHAMFMUJUZEE-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM CCOC(=O)c1cccc(Nc2ccc(C(=O)[O-])c(OC)c2)c1C ZINC001174684895 1132435868 /nfs/dbraw/zinc/43/58/68/1132435868.db2.gz AEOVBMAMIZECNU-UHFFFAOYSA-N -1 0 329.352 3.622 20 0 EHADRM COc1cc(Nc2cc(NC(C)=O)ccc2Cl)ccc1C(=O)[O-] ZINC001174685363 1132435932 /nfs/dbraw/zinc/43/59/32/1132435932.db2.gz SYIHDYMXTUBGFR-UHFFFAOYSA-N -1 0 334.759 3.749 20 0 EHADRM COC(=O)c1cc(C)c(C)c(Nc2ccc(C(=O)[O-])c(OC)c2)c1 ZINC001174688076 1132436711 /nfs/dbraw/zinc/43/67/11/1132436711.db2.gz NUPPXCLLTVUYKM-UHFFFAOYSA-N -1 0 329.352 3.540 20 0 EHADRM COc1cc(Nc2cc(OC(F)(F)F)ccc2O)ccc1C(=O)[O-] ZINC001174686195 1132436798 /nfs/dbraw/zinc/43/67/98/1132436798.db2.gz LHCMJHGLXUMQQX-UHFFFAOYSA-N -1 0 343.257 3.741 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2ccc(-n3cccn3)cc2C)cc1C ZINC000190372981 1132454040 /nfs/dbraw/zinc/45/40/40/1132454040.db2.gz VRRJPOFILJNRIA-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM COC(=O)c1cccc2c(Nc3ccc(C(=O)[O-])s3)ccnc12 ZINC001174806414 1132478262 /nfs/dbraw/zinc/47/82/62/1132478262.db2.gz AKBOERKIWJONLT-UHFFFAOYSA-N -1 0 328.349 3.525 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(F)ccc2OC[C@H]2CCCO2)s1 ZINC001174810170 1132480001 /nfs/dbraw/zinc/48/00/01/1132480001.db2.gz JBLMEIQDAVIFKT-LLVKDONJSA-N -1 0 337.372 3.887 20 0 EHADRM CCNc1ccc(C(=O)OCC)cc1Nc1ccc(C(=O)[O-])s1 ZINC001174810032 1132480162 /nfs/dbraw/zinc/48/01/62/1132480162.db2.gz BBEYCFDWKXCXBP-UHFFFAOYSA-N -1 0 334.397 3.798 20 0 EHADRM Cc1c(Br)ccc(N)c1Nc1ccc(C(=O)[O-])s1 ZINC001174809778 1132480475 /nfs/dbraw/zinc/48/04/75/1132480475.db2.gz SEQJODQUFHMLFE-UHFFFAOYSA-N -1 0 327.203 3.843 20 0 EHADRM CCC[C@](C)(NC(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)[O-] ZINC000746372067 1132501260 /nfs/dbraw/zinc/50/12/60/1132501260.db2.gz IOEOKZTYGKLJQR-IBGZPJMESA-N -1 0 345.370 3.991 20 0 EHADRM COc1ccccc1-n1ncc(C)c1Nc1ccc(CC(=O)[O-])cc1 ZINC001174948929 1132515119 /nfs/dbraw/zinc/51/51/19/1132515119.db2.gz BYPSZLBITFCQCW-UHFFFAOYSA-N -1 0 337.379 3.560 20 0 EHADRM O=S(=O)([O-])c1ccc(Cl)c(Nc2ccc(F)c(F)c2F)c1 ZINC001174968058 1132522049 /nfs/dbraw/zinc/52/20/49/1132522049.db2.gz BZVHZDFQRNMDKF-UHFFFAOYSA-N -1 0 337.706 3.748 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)c2cccc3ccccc32)c(C)s1 ZINC000746432988 1132528719 /nfs/dbraw/zinc/52/87/19/1132528719.db2.gz XTVGLMROXVJRKL-UHFFFAOYSA-N -1 0 345.445 3.637 20 0 EHADRM CCOc1ccc(F)cc1Nc1ccc(Cl)cc1S(=O)(=O)[O-] ZINC001175080800 1132561740 /nfs/dbraw/zinc/56/17/40/1132561740.db2.gz IFIXYPVEBSCWQH-UHFFFAOYSA-N -1 0 345.779 3.868 20 0 EHADRM Cc1ccc(C(C)(C)Nc2cc(C(F)(F)F)c(C(=O)[O-])nn2)cc1 ZINC001168807675 1132564840 /nfs/dbraw/zinc/56/48/40/1132564840.db2.gz OPMLIUKFPRBWNN-UHFFFAOYSA-N -1 0 339.317 3.849 20 0 EHADRM COC(=O)c1c(Nc2ccc(C(=O)[O-])c(F)c2)sc2c1CCC2 ZINC001175154317 1132569048 /nfs/dbraw/zinc/56/90/48/1132569048.db2.gz JGYSJILDWMHKMB-UHFFFAOYSA-N -1 0 335.356 3.604 20 0 EHADRM COC(=O)CCCc1ccc(Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001175159447 1132570749 /nfs/dbraw/zinc/57/07/49/1132570749.db2.gz BWPOZVFANNSROO-UHFFFAOYSA-N -1 0 331.343 3.763 20 0 EHADRM COC(=O)c1oc2cccc(F)c2c1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175161790 1132571481 /nfs/dbraw/zinc/57/14/81/1132571481.db2.gz UNXFKZHCVFZOJQ-UHFFFAOYSA-N -1 0 347.273 3.939 20 0 EHADRM O=C(c1ccccc1)N1CCC[C@H](Nc2cc([S-])cc([S-])c2)C1 ZINC001168900081 1132591924 /nfs/dbraw/zinc/59/19/24/1132591924.db2.gz UPOBUMURLVACKT-AWEZNQCLSA-N -1 0 344.505 3.981 20 0 EHADRM Cc1cc(Nc2ccc(F)c(C(=O)[O-])c2)n(-c2ccc(F)cc2)n1 ZINC001175214993 1132596967 /nfs/dbraw/zinc/59/69/67/1132596967.db2.gz DJKFAHJWHPSLMR-UHFFFAOYSA-N -1 0 329.306 3.901 20 0 EHADRM Cc1c(Br)nccc1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175216881 1132598008 /nfs/dbraw/zinc/59/80/08/1132598008.db2.gz GTNKFXARVZDXQY-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM CCOc1ccc(OC)cc1Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001175215767 1132598080 /nfs/dbraw/zinc/59/80/80/1132598080.db2.gz TZWDVUGKHYCSCF-UHFFFAOYSA-N -1 0 325.368 3.729 20 0 EHADRM O=C([O-])c1cc(Nc2c(F)cccc2OC[C@H]2CCCO2)ccc1F ZINC001175221592 1132598705 /nfs/dbraw/zinc/59/87/05/1132598705.db2.gz MGBKAEDKIUJXHK-GFCCVEGCSA-N -1 0 349.333 3.964 20 0 EHADRM CC(=O)N1CC2(CC2)c2ccc(Nc3ccc(F)c(C(=O)[O-])c3)cc21 ZINC001175220229 1132598756 /nfs/dbraw/zinc/59/87/56/1132598756.db2.gz NVGJUWOIVXWGST-UHFFFAOYSA-N -1 0 340.354 3.666 20 0 EHADRM CC1(C)CC(=O)Nc2c(Nc3ccc(F)c(C(=O)[O-])c3)cccc21 ZINC001175221781 1132598824 /nfs/dbraw/zinc/59/88/24/1132598824.db2.gz MFJQONWEANPBHG-UHFFFAOYSA-N -1 0 328.343 3.887 20 0 EHADRM COC(=O)CCc1ccc(Nc2ccc(F)c(C(=O)[O-])c2)cc1F ZINC001175221286 1132599207 /nfs/dbraw/zinc/59/92/07/1132599207.db2.gz CUAWRIBWDZFDJJ-UHFFFAOYSA-N -1 0 335.306 3.512 20 0 EHADRM COC(=O)c1cc(Nc2ccc(F)c(C(=O)[O-])c2)c(F)cc1Cl ZINC001175223512 1132599535 /nfs/dbraw/zinc/59/95/35/1132599535.db2.gz RIVPZEZRONYOLG-UHFFFAOYSA-N -1 0 341.697 3.847 20 0 EHADRM O=C(C/C=C/Cc1ccccc1)Nc1ccc(-n2ccc(=O)[nH]2)cc1 ZINC001168922651 1132605905 /nfs/dbraw/zinc/60/59/05/1132605905.db2.gz QOHKRAINZDRRSL-SNAWJCMRSA-N -1 0 333.391 3.705 20 0 EHADRM CCOc1ccc(F)c(F)c1Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001175281554 1132611220 /nfs/dbraw/zinc/61/12/20/1132611220.db2.gz MSNGCBFPYPWPLB-UHFFFAOYSA-N -1 0 331.322 3.998 20 0 EHADRM O=C([O-])c1ccc(Nc2cccnc2OC2CCOCC2)cc1Cl ZINC001175315880 1132636206 /nfs/dbraw/zinc/63/62/06/1132636206.db2.gz HCPQCKSGKRTCLS-UHFFFAOYSA-N -1 0 348.786 3.735 20 0 EHADRM CCOC(=O)c1sc(C)nc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175317396 1132636851 /nfs/dbraw/zinc/63/68/51/1132636851.db2.gz YUOSIRYFSJFPQF-UHFFFAOYSA-N -1 0 340.788 3.723 20 0 EHADRM COc1ccc(NC(C)=O)cc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175319091 1132636911 /nfs/dbraw/zinc/63/69/11/1132636911.db2.gz LLMBGEYOYBIEKR-UHFFFAOYSA-N -1 0 334.759 3.749 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(C(=O)NC3CC3)cc2)cc1Cl ZINC001175319388 1132637376 /nfs/dbraw/zinc/63/73/76/1132637376.db2.gz WNPRNZNLIYPWMC-UHFFFAOYSA-N -1 0 330.771 3.674 20 0 EHADRM COC(=O)c1cc(Nc2cccc(C(=O)[O-])c2)c(OC)cc1Cl ZINC001175330920 1132641135 /nfs/dbraw/zinc/64/11/35/1132641135.db2.gz LPEKZHJOBZTSBV-UHFFFAOYSA-N -1 0 335.743 3.577 20 0 EHADRM COc1ccc2cc(NC(=O)c3n[n-]c4ccccc4c3=O)ccc2c1 ZINC000804309058 1132668727 /nfs/dbraw/zinc/66/87/27/1132668727.db2.gz SDOJGHLFRPYCQW-UHFFFAOYSA-N -1 0 345.358 3.750 20 0 EHADRM O=C(c1ccc(Nc2c([S-])cccc2Cl)cc1)N1CCOCC1 ZINC001175542971 1132703137 /nfs/dbraw/zinc/70/31/37/1132703137.db2.gz CJYMDISWZMGRBW-UHFFFAOYSA-N -1 0 348.855 3.845 20 0 EHADRM O=C(CCCCc1ccccc1)Nc1nccc(Br)c1[O-] ZINC001169382859 1132743171 /nfs/dbraw/zinc/74/31/71/1132743171.db2.gz MGSNKBJFYBKVGH-UHFFFAOYSA-N -1 0 349.228 3.901 20 0 EHADRM Cc1cc2c(cc1C)N(C(=O)c1cccc(Br)c1[O-])CC2 ZINC000804321809 1132753910 /nfs/dbraw/zinc/75/39/10/1132753910.db2.gz IQDJUHDWAHSBIL-UHFFFAOYSA-N -1 0 346.224 3.974 20 0 EHADRM Cc1ccc2sc(CNC(=O)c3cc(F)c([O-])c(F)c3)nc2c1 ZINC001169478219 1132763880 /nfs/dbraw/zinc/76/38/80/1132763880.db2.gz DFBKKLNVFZJPGT-UHFFFAOYSA-N -1 0 334.347 3.519 20 0 EHADRM CC(C)(C)OC(=O)NCc1ccccc1Nc1cncc(C(=O)[O-])c1 ZINC001175843055 1132773291 /nfs/dbraw/zinc/77/32/91/1132773291.db2.gz XTPZKONKYCBHPB-UHFFFAOYSA-N -1 0 343.383 3.548 20 0 EHADRM COc1cc(Nc2c(C)cc(C)cc2S(=O)(=O)[O-])c(F)cc1F ZINC001176110987 1132849612 /nfs/dbraw/zinc/84/96/12/1132849612.db2.gz JNQIJFFAXWTWPY-UHFFFAOYSA-N -1 0 343.351 3.581 20 0 EHADRM C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(NCCc2cncs2)cc1 ZINC001169868120 1132885909 /nfs/dbraw/zinc/88/59/09/1132885909.db2.gz KNNSPVGMIYFWOW-JTQLQIEISA-N -1 0 343.374 3.537 20 0 EHADRM Cc1ccc(Oc2ccc(Nc3cnn(CC(=O)[O-])c3)cc2C)cn1 ZINC001176271754 1132898953 /nfs/dbraw/zinc/89/89/53/1132898953.db2.gz XFOFMQYLSIZNCC-UHFFFAOYSA-N -1 0 338.367 3.515 20 0 EHADRM Cc1ccc(C)c([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)c1 ZINC000766892814 1132911645 /nfs/dbraw/zinc/91/16/45/1132911645.db2.gz VXTAHXFSYHJWKI-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM COc1ccc(Nc2ccc3cc(O)ccc3c2)c(S(=O)(=O)[O-])c1 ZINC001176388396 1132917407 /nfs/dbraw/zinc/91/74/07/1132917407.db2.gz OFJXSOVCVHGGAA-UHFFFAOYSA-N -1 0 345.376 3.544 20 0 EHADRM CC(C)(C)OC(=O)c1ccc(Nc2csc(C(=O)[O-])c2)cc1O ZINC001176441207 1132930216 /nfs/dbraw/zinc/93/02/16/1132930216.db2.gz XETWIHJSZAGZSR-UHFFFAOYSA-N -1 0 335.381 3.851 20 0 EHADRM O=C([O-])CN(C(=O)/C=C/c1ccc(Cl)s1)C1CCCCC1 ZINC000767025669 1132935574 /nfs/dbraw/zinc/93/55/74/1132935574.db2.gz QLPSXSWRCSSBCT-VQHVLOKHSA-N -1 0 327.833 3.661 20 0 EHADRM O=C([O-])CN(C(=O)c1cc2c(cccc2F)s1)C1CCCCC1 ZINC000767025520 1132936046 /nfs/dbraw/zinc/93/60/46/1132936046.db2.gz OQEJQKSVYHYDNO-UHFFFAOYSA-N -1 0 335.400 3.900 20 0 EHADRM COc1ccc(Nc2ccc(Cl)c(Cl)c2)c(S(=O)(=O)[O-])c1 ZINC001176542700 1132948403 /nfs/dbraw/zinc/94/84/03/1132948403.db2.gz JXEOQFNBZOUUHX-UHFFFAOYSA-N -1 0 348.207 3.992 20 0 EHADRM CCc1ccc(C(=O)Nc2ccc3c(ccn3CC(=O)[O-])c2)s1 ZINC000767136667 1132955672 /nfs/dbraw/zinc/95/56/72/1132955672.db2.gz FKMPABUVPSPXJM-UHFFFAOYSA-N -1 0 328.393 3.602 20 0 EHADRM Cc1cc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)n(CC2CCC2)n1 ZINC001176587395 1132961984 /nfs/dbraw/zinc/96/19/84/1132961984.db2.gz YXSAIZNCZKDKOQ-UHFFFAOYSA-N -1 0 325.412 3.851 20 0 EHADRM COc1ccc(NC(C)=O)cc1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176590739 1132962600 /nfs/dbraw/zinc/96/26/00/1132962600.db2.gz VNZKELJQSRCLLL-UHFFFAOYSA-N -1 0 340.379 3.513 20 0 EHADRM CCN(CCO)c1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)c(C)c1 ZINC001176595930 1132963976 /nfs/dbraw/zinc/96/39/76/1132963976.db2.gz WWRZGBYEOMQUKW-IZZDOVSWSA-N -1 0 340.423 3.655 20 0 EHADRM COc1ccc(C(C)=O)c(Nc2c(F)cc(F)c([O-])c2F)c1OC ZINC001176672466 1132979963 /nfs/dbraw/zinc/97/99/63/1132979963.db2.gz WYFSHMVBEFDZBF-UHFFFAOYSA-N -1 0 341.285 3.773 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc3nc(-c4ccc(F)cc4)nn3c2)cc1 ZINC001176711411 1132995305 /nfs/dbraw/zinc/99/53/05/1132995305.db2.gz YULIPNKLSGMSPG-UHFFFAOYSA-N -1 0 348.337 3.977 20 0 EHADRM O=C([O-])c1ccc(Nc2cccc(-c3nc(CO)cs3)c2)cc1 ZINC001176715118 1132995789 /nfs/dbraw/zinc/99/57/89/1132995789.db2.gz YBFBPDRTDQSGFW-UHFFFAOYSA-N -1 0 326.377 3.744 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)C[C@H](C)CC(C)(C)C ZINC000767568888 1133020573 /nfs/dbraw/zinc/02/05/73/1133020573.db2.gz SIIMLNZSFJVFBV-NSHDSACASA-N -1 0 345.892 3.916 20 0 EHADRM CCC(C)(CC)C(=O)[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000768024161 1133084462 /nfs/dbraw/zinc/08/44/62/1133084462.db2.gz CSDWGOJCPWUYAS-UHFFFAOYSA-N -1 0 325.474 3.516 20 0 EHADRM Cc1n[nH]c(C(=O)N[C@H](C)c2cccc(SC(F)(F)F)c2)c1[O-] ZINC001178164331 1133138219 /nfs/dbraw/zinc/13/82/19/1133138219.db2.gz PMGJQPKGOVLTRK-SSDOTTSWSA-N -1 0 345.346 3.527 20 0 EHADRM O=C(c1c([O-])cccc1F)N(Cc1nc2ccccc2s1)C1CC1 ZINC001178230992 1133149251 /nfs/dbraw/zinc/14/92/51/1133149251.db2.gz ZTGNYZWYRGHCEK-UHFFFAOYSA-N -1 0 342.395 3.946 20 0 EHADRM C[C@@H](C(=O)Nc1ccc2[n-]c(=S)oc2c1)N1CCc2ccccc21 ZINC000769244849 1133250725 /nfs/dbraw/zinc/25/07/25/1133250725.db2.gz SMWCNOVNNNORSU-NSHDSACASA-N -1 0 339.420 3.506 20 0 EHADRM O=C(Nc1ccc(Nc2ncccn2)cc1)c1c([O-])cccc1Cl ZINC000769673096 1133328693 /nfs/dbraw/zinc/32/86/93/1133328693.db2.gz NSNYMAXTOSVLIE-UHFFFAOYSA-N -1 0 340.770 3.832 20 0 EHADRM Cc1ccc(-c2nnco2)cc1NC(=O)c1c([O-])cccc1Cl ZINC000769701295 1133331959 /nfs/dbraw/zinc/33/19/59/1133331959.db2.gz IQHCQBPYOSAOND-UHFFFAOYSA-N -1 0 329.743 3.656 20 0 EHADRM Cn1ccnc1-c1cccc(NC(=O)c2c([O-])cccc2Cl)c1 ZINC000769713741 1133334368 /nfs/dbraw/zinc/33/43/68/1133334368.db2.gz PMDKRUAYZBCRPT-UHFFFAOYSA-N -1 0 327.771 3.698 20 0 EHADRM CCC/C(C)=C/C(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1C ZINC000769774564 1133339267 /nfs/dbraw/zinc/33/92/67/1133339267.db2.gz NFOOHTWJUQVPPK-MDZDMXLPSA-N -1 0 349.374 3.565 20 0 EHADRM O=C(Nc1ccnn1CCc1ccccc1)c1c([O-])cccc1Cl ZINC000769741942 1133342268 /nfs/dbraw/zinc/34/22/68/1133342268.db2.gz PQFAKTFYIRYEKK-UHFFFAOYSA-N -1 0 341.798 3.737 20 0 EHADRM Cn1cc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2)nc1Cl ZINC000769822774 1133344165 /nfs/dbraw/zinc/34/41/65/1133344165.db2.gz MANLDBZQJITNQU-UHFFFAOYSA-N -1 0 347.827 3.541 20 0 EHADRM CCc1ccc2c(c1)CCN(C(=O)c1ccc3[n-]c(=S)oc3c1)C2 ZINC001181486402 1133496546 /nfs/dbraw/zinc/49/65/46/1133496546.db2.gz MCMREXWZPCFJMW-UHFFFAOYSA-N -1 0 338.432 3.877 20 0 EHADRM CC(=O)c1ncc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])s1 ZINC001151054959 1133515226 /nfs/dbraw/zinc/51/52/26/1133515226.db2.gz IDGYILAUMRRKSU-UHFFFAOYSA-N -1 0 331.180 3.610 20 0 EHADRM CO[C@H]1Cc2ccc(NC(=O)c3cc(F)c([O-])c(Cl)c3)cc2C1 ZINC000772544296 1133695752 /nfs/dbraw/zinc/69/57/52/1133695752.db2.gz OOAWVDFCBCULFZ-ZDUSSCGKSA-N -1 0 335.762 3.551 20 0 EHADRM Cc1c(CC(=O)Nc2ccccc2-c2nn[nH]n2)sc2ccccc12 ZINC001183243832 1133784128 /nfs/dbraw/zinc/78/41/28/1133784128.db2.gz KTQNKUAVDBBWNM-UHFFFAOYSA-N -1 0 349.419 3.571 20 0 EHADRM O=C(NC[C@@H]1CCC[C@H]1c1ccccc1)c1c([O-])cc(F)cc1F ZINC001183571942 1133828145 /nfs/dbraw/zinc/82/81/45/1133828145.db2.gz OCVVNEXMKNYGET-ZFWWWQNUSA-N -1 0 331.362 3.984 20 0 EHADRM CCc1ccc(N(Cc2ccc(C)s2)Cc2n[nH]c(=O)[n-]2)cc1 ZINC000774682945 1133859932 /nfs/dbraw/zinc/85/99/32/1133859932.db2.gz DKPPEXFDTPGJIP-UHFFFAOYSA-N -1 0 328.441 3.649 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000786659851 1133882699 /nfs/dbraw/zinc/88/26/99/1133882699.db2.gz IPFKPHFTNRRSPW-GVDBMIGSSA-N -1 0 349.496 3.660 20 0 EHADRM O=C(NC1(c2c(F)cccc2F)CCC1)c1c([O-])cc(F)cc1F ZINC001184098932 1133893732 /nfs/dbraw/zinc/89/37/32/1133893732.db2.gz JVWONJUCPSHVMP-UHFFFAOYSA-N -1 0 339.288 3.758 20 0 EHADRM Cc1cccc2cccc([N-]S(=O)(=O)c3cccnc3Cl)c12 ZINC001184885177 1133997589 /nfs/dbraw/zinc/99/75/89/1133997589.db2.gz VUQPYJRQUSVTMR-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM O=S(=O)(Cc1cc(F)cc(F)c1)Nc1cc(Cl)ccc1[S-] ZINC001185123631 1134038898 /nfs/dbraw/zinc/03/88/98/1134038898.db2.gz LRRNAYKOCLSZGI-UHFFFAOYSA-N -1 0 349.811 3.849 20 0 EHADRM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)Nc1ccc(F)c(F)c1F ZINC001185339053 1134074657 /nfs/dbraw/zinc/07/46/57/1134074657.db2.gz WREMPCYNCPBTLM-UHFFFAOYSA-N -1 0 348.284 3.639 20 0 EHADRM COc1ccc(-c2ccccc2[N-]S(=O)(=O)c2ccsc2)nc1 ZINC001185392937 1134077686 /nfs/dbraw/zinc/07/76/86/1134077686.db2.gz YXUAZYXNJHWNOC-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM O=S(=O)([N-]c1nc2ccc(F)cc2o1)c1cc2ccccc2s1 ZINC001185421622 1134082682 /nfs/dbraw/zinc/08/26/82/1134082682.db2.gz WJIWCMHPEMBOOG-UHFFFAOYSA-N -1 0 348.380 3.982 20 0 EHADRM CN(Cc1ccc(F)cc1F)C(=O)C=C([O-])c1ccccc1Cl ZINC001185435270 1134086412 /nfs/dbraw/zinc/08/64/12/1134086412.db2.gz MOAIENYMHJKORL-UHFFFAOYSA-N -1 0 337.753 3.850 20 0 EHADRM C[C@@H](O)c1ccc([N-]S(=O)(=O)c2cc3ccccc3s2)cc1 ZINC001185459039 1134091576 /nfs/dbraw/zinc/09/15/76/1134091576.db2.gz CZSUMMOJZARFKR-LLVKDONJSA-N -1 0 333.434 3.755 20 0 EHADRM O=S(=O)([N-][C@@H](C1CCC1)C(F)(F)F)c1cc2ccccc2s1 ZINC001185473057 1134094575 /nfs/dbraw/zinc/09/45/75/1134094575.db2.gz AQXXLQJHUIRWKZ-ZDUSSCGKSA-N -1 0 349.399 3.911 20 0 EHADRM COc1c(F)cccc1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1 ZINC001185485255 1134097255 /nfs/dbraw/zinc/09/72/55/1134097255.db2.gz QXBFMQIFASZTFY-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cnc(Cl)cc2C)ccc1Cl ZINC001185494269 1134097804 /nfs/dbraw/zinc/09/78/04/1134097804.db2.gz CYYXMIQDHDVPGP-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(C3CCC3)no2)ccc1Cl ZINC001185495034 1134098799 /nfs/dbraw/zinc/09/87/99/1134098799.db2.gz WSFXLMVIKHEXGO-UHFFFAOYSA-N -1 0 326.805 3.705 20 0 EHADRM CCCCCC[C@](C)(NC(=O)Nc1ccc(C(C)=O)cc1)C(=O)[O-] ZINC000788317545 1134112937 /nfs/dbraw/zinc/11/29/37/1134112937.db2.gz GTOHGSFJPUHVJD-SFHVURJKSA-N -1 0 334.416 3.824 20 0 EHADRM Cc1nc2c(F)cccc2cc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC001185801233 1134134830 /nfs/dbraw/zinc/13/48/30/1134134830.db2.gz FCKJJXOXXGUUQY-UHFFFAOYSA-N -1 0 348.374 3.931 20 0 EHADRM Cc1c(F)cccc1S(=O)(=O)Nc1ccc(Cl)cc1[S-] ZINC001185828439 1134138476 /nfs/dbraw/zinc/13/84/76/1134138476.db2.gz FLQACWMFIDJSDH-UHFFFAOYSA-N -1 0 331.821 3.877 20 0 EHADRM O=C(Nc1cc(Br)cc(Cl)c1[O-])NC1CCCC1 ZINC001185908661 1134148201 /nfs/dbraw/zinc/14/82/01/1134148201.db2.gz XBPWZTXPHUMWTD-UHFFFAOYSA-N -1 0 333.613 3.872 20 0 EHADRM CSc1cc(C)nc(SC)c1[N-]C(=O)c1ccc(O)cc1F ZINC001186311608 1134198583 /nfs/dbraw/zinc/19/85/83/1134198583.db2.gz ZXVUNONXOQXQCK-UHFFFAOYSA-N -1 0 338.429 3.931 20 0 EHADRM COc1cc(CNC(=O)N[C@@H](C)C2CCCCC2)cc(Cl)c1O ZINC001186408132 1134209471 /nfs/dbraw/zinc/20/94/71/1134209471.db2.gz OAXVUYRKYDAIFB-NSHDSACASA-N -1 0 340.851 3.822 20 0 EHADRM CC(=O)c1cccc(O)c1[N-]S(=O)(=O)c1csc2ccccc21 ZINC001186497908 1134222577 /nfs/dbraw/zinc/22/25/77/1134222577.db2.gz JYUNBXFBWNLPTD-UHFFFAOYSA-N -1 0 347.417 3.610 20 0 EHADRM CCOc1ccc(C)cc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC001186779825 1134256628 /nfs/dbraw/zinc/25/66/28/1134256628.db2.gz OGJPMHNZNXJRHH-UHFFFAOYSA-N -1 0 325.286 3.769 20 0 EHADRM COc1cc2[nH]ccc2c(NC(=O)c2cc(F)c(F)c([O-])c2F)c1 ZINC001186787769 1134257907 /nfs/dbraw/zinc/25/79/07/1134257907.db2.gz HMPFDZUVNXISPP-UHFFFAOYSA-N -1 0 336.269 3.552 20 0 EHADRM O=S(=O)([N-]c1cc(-c2ccccc2)cc(Cl)n1)c1ccco1 ZINC001186820587 1134262540 /nfs/dbraw/zinc/26/25/40/1134262540.db2.gz SJJMHMHRQCINIQ-UHFFFAOYSA-N -1 0 334.784 3.796 20 0 EHADRM O=S(=O)([N-]c1cc(OCc2ccccc2)ccc1F)c1ccco1 ZINC001186858710 1134269867 /nfs/dbraw/zinc/26/98/67/1134269867.db2.gz HAICOXLVJHHKRM-UHFFFAOYSA-N -1 0 347.367 3.799 20 0 EHADRM Cc1c(Cl)cc(NC(=O)NCC2CCOCC2)c([O-])c1Cl ZINC001186942562 1134272653 /nfs/dbraw/zinc/27/26/53/1134272653.db2.gz ZIHQJEZXCBSHKM-UHFFFAOYSA-N -1 0 333.215 3.556 20 0 EHADRM CCc1ccc(C)nc1[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187174135 1134311241 /nfs/dbraw/zinc/31/12/41/1134311241.db2.gz SBYOCVNNSJYDCH-UHFFFAOYSA-N -1 0 336.482 3.694 20 0 EHADRM O=S(=O)([N-]c1cccc2ocnc21)c1cc2c(s1)CCCC2 ZINC001187206610 1134313860 /nfs/dbraw/zinc/31/38/60/1134313860.db2.gz FCXZGLQDAXZEHY-UHFFFAOYSA-N -1 0 334.422 3.569 20 0 EHADRM CCCCOc1ccc(C(=O)Nc2n[nH]c(C3CC3)c2C)c(O)c1 ZINC000789757173 1134326858 /nfs/dbraw/zinc/32/68/58/1134326858.db2.gz IEUOANVLCVZEOJ-UHFFFAOYSA-N -1 0 329.400 3.732 20 0 EHADRM Cc1oncc1S(=O)(=O)[N-]c1cccc(Oc2ccccc2)c1 ZINC001187376019 1134329874 /nfs/dbraw/zinc/32/98/74/1134329874.db2.gz HWJXTOXMDTYLAU-UHFFFAOYSA-N -1 0 330.365 3.576 20 0 EHADRM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)Nc1cc(F)cc(F)c1 ZINC001187580396 1134355345 /nfs/dbraw/zinc/35/53/45/1134355345.db2.gz WCSGIXWZSRMFQR-UHFFFAOYSA-N -1 0 330.294 3.500 20 0 EHADRM O=S(=O)([N-]c1cccc(Cc2ccccc2)c1)c1nccs1 ZINC001187847368 1134389933 /nfs/dbraw/zinc/38/99/33/1134389933.db2.gz HXMCLVXUISQARL-UHFFFAOYSA-N -1 0 330.434 3.535 20 0 EHADRM O=S(=O)([N-]c1cccc2c3ccccc3oc21)c1nccs1 ZINC001187900566 1134394624 /nfs/dbraw/zinc/39/46/24/1134394624.db2.gz UGTMKXULPNXEQK-UHFFFAOYSA-N -1 0 330.390 3.843 20 0 EHADRM O=S(=O)([N-]c1ccc(OCC2CCCC2)cc1)c1nccs1 ZINC001187890906 1134398507 /nfs/dbraw/zinc/39/85/07/1134398507.db2.gz AYXRNCXUBUCKBD-UHFFFAOYSA-N -1 0 338.454 3.513 20 0 EHADRM Cc1cc(C)c(O)c([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c1 ZINC001187961659 1134405697 /nfs/dbraw/zinc/40/56/97/1134405697.db2.gz ZRJSEVQSQCREPU-UHFFFAOYSA-N -1 0 347.223 3.512 20 0 EHADRM CC(C)[C@@H](OC(=O)c1c(F)cc([O-])cc1F)C(=O)c1ccccc1 ZINC000746983675 1134511915 /nfs/dbraw/zinc/51/19/15/1134511915.db2.gz ARSFKRXLBWCQRN-QGZVFWFLSA-N -1 0 334.318 3.735 20 0 EHADRM O=C(NCc1ccncc1C(F)(F)F)C(F)(F)c1ccccc1 ZINC000791176111 1134517239 /nfs/dbraw/zinc/51/72/39/1134517239.db2.gz KROKZIDLWWYKRO-UHFFFAOYSA-N -1 0 330.256 3.509 20 0 EHADRM O=S(=O)(CC1CC1)[N-]c1c(C(F)(F)F)cccc1C(F)(F)F ZINC001188963010 1134526287 /nfs/dbraw/zinc/52/62/87/1134526287.db2.gz BATCCRJCZAHCEW-UHFFFAOYSA-N -1 0 347.280 3.876 20 0 EHADRM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2onc(C3CC3)c2Cl)[C@@H]1C ZINC001189794320 1134628217 /nfs/dbraw/zinc/62/82/17/1134628217.db2.gz QEINGMZTRFMDNP-CKYFFXLPSA-N -1 0 346.880 3.556 20 0 EHADRM CN(C(=O)c1cc(Br)ccc1[S-])C1CC(F)(F)C1 ZINC001189951496 1134641772 /nfs/dbraw/zinc/64/17/72/1134641772.db2.gz PMGGLEVBMACUSQ-UHFFFAOYSA-N -1 0 336.201 3.608 20 0 EHADRM COc1cccc(-c2cc(C(=O)Nc3ccccc3[S-])no2)c1 ZINC001189984674 1134646670 /nfs/dbraw/zinc/64/66/70/1134646670.db2.gz RYUNHOFMRRTROP-UHFFFAOYSA-N -1 0 326.377 3.891 20 0 EHADRM Cc1cc(F)ccc1CS(=O)(=O)[N-]C(=O)[C@@H](C)CCC(C)(C)C ZINC000792060015 1134646683 /nfs/dbraw/zinc/64/66/83/1134646683.db2.gz GJGDCVUGKQYCII-LBPRGKRZSA-N -1 0 343.464 3.543 20 0 EHADRM O=C([O-])c1ccc(Nc2ccnn2Cc2cccc(F)c2)c(F)c1 ZINC001203286868 1134652934 /nfs/dbraw/zinc/65/29/34/1134652934.db2.gz VJXVMOCCIBXHHI-UHFFFAOYSA-N -1 0 329.306 3.651 20 0 EHADRM CC[C@@H](C)CCC(=O)[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000797315623 1134661604 /nfs/dbraw/zinc/66/16/04/1134661604.db2.gz OGIPNGVXYDJWJS-CQSZACIVSA-N -1 0 325.474 3.516 20 0 EHADRM O=S(=O)([N-]c1ccc(C2CC2)cc1)c1cc(F)cc(F)c1F ZINC001190392206 1134689915 /nfs/dbraw/zinc/68/99/15/1134689915.db2.gz ODAKYPPLHJWQOJ-UHFFFAOYSA-N -1 0 327.327 3.782 20 0 EHADRM C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000792531401 1134693903 /nfs/dbraw/zinc/69/39/03/1134693903.db2.gz BPNKMQPOMQPZHG-APPZFPTMSA-N -1 0 330.331 3.529 20 0 EHADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2nc(C)cnc2C)cc1 ZINC001190422399 1134697828 /nfs/dbraw/zinc/69/78/28/1134697828.db2.gz CXRPHMCAWYKMIE-UHFFFAOYSA-N -1 0 333.457 3.582 20 0 EHADRM O=S(=O)([N-]c1ccccc1-c1ccccc1F)c1ccncc1 ZINC001190888661 1134762943 /nfs/dbraw/zinc/76/29/43/1134762943.db2.gz YTXJBMTZXXDKTN-UHFFFAOYSA-N -1 0 328.368 3.689 20 0 EHADRM CC1(C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)CCCCC1 ZINC001190945466 1134767763 /nfs/dbraw/zinc/76/77/63/1134767763.db2.gz BMBANTBPKKDTDT-UHFFFAOYSA-N -1 0 337.819 3.867 20 0 EHADRM O=C([N-]c1nnc(-c2ccco2)o1)c1nc(-c2ccccc2)cs1 ZINC001191037505 1134781256 /nfs/dbraw/zinc/78/12/56/1134781256.db2.gz NHCAFUOIVJBRJL-UHFFFAOYSA-N -1 0 338.348 3.705 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(C3CC3)nc2)c1 ZINC001191153836 1134803079 /nfs/dbraw/zinc/80/30/79/1134803079.db2.gz NRNMRRMDGNMKJL-UHFFFAOYSA-N -1 0 339.420 3.616 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cccc3nnsc32)cc1 ZINC001191252358 1134824097 /nfs/dbraw/zinc/82/40/97/1134824097.db2.gz ACYONZJLYPCCSN-UHFFFAOYSA-N -1 0 347.465 3.835 20 0 EHADRM O=S(=O)(CC1CCCC1)[N-]c1nc2cccc(Cl)c2s1 ZINC001191481205 1134871295 /nfs/dbraw/zinc/87/12/95/1134871295.db2.gz LKSTZBXJNCJTPH-UHFFFAOYSA-N -1 0 330.862 3.882 20 0 EHADRM O=S(=O)(CC1CCCC1)[N-][C@H](c1cccc(F)c1)C(F)(F)F ZINC001191540196 1134881774 /nfs/dbraw/zinc/88/17/74/1134881774.db2.gz XQXZBFNVSQQJCY-CYBMUJFWSA-N -1 0 339.354 3.539 20 0 EHADRM C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(F)(F)F ZINC001191615150 1134889971 /nfs/dbraw/zinc/88/99/71/1134889971.db2.gz PDBFDIVZTFBUET-QMMMGPOBSA-N -1 0 337.750 3.722 20 0 EHADRM CCc1nc(-c2cccc(C(=O)Nc3ccccc3[S-])c2)no1 ZINC001191574180 1134889990 /nfs/dbraw/zinc/88/99/90/1134889990.db2.gz ZJFOLMCUXLBVAK-UHFFFAOYSA-N -1 0 325.393 3.840 20 0 EHADRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccnc(Cl)c1 ZINC001191663008 1134901826 /nfs/dbraw/zinc/90/18/26/1134901826.db2.gz FFLYMKQKLQILGV-UHFFFAOYSA-N -1 0 340.832 3.668 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2Cl)sn1 ZINC001191729148 1134906932 /nfs/dbraw/zinc/90/69/32/1134906932.db2.gz WDOBYTPEIRNEOX-UHFFFAOYSA-N -1 0 337.253 3.868 20 0 EHADRM COc1ccsc1C(=O)Nc1ccc(F)c(Br)c1[O-] ZINC001191767200 1134910385 /nfs/dbraw/zinc/91/03/85/1134910385.db2.gz JRBLPAMNRRTIPP-UHFFFAOYSA-N -1 0 346.177 3.616 20 0 EHADRM COc1c(F)cccc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1F ZINC001191855834 1134927904 /nfs/dbraw/zinc/92/79/04/1134927904.db2.gz MTKMWSYYYNCRAB-UHFFFAOYSA-N -1 0 347.770 3.569 20 0 EHADRM COc1ccc2cc(S(=O)(=O)[N-]c3cncc(Cl)c3)ccc2c1 ZINC001191936694 1134944153 /nfs/dbraw/zinc/94/41/53/1134944153.db2.gz KVWKLGHVYXSTOC-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM Cc1ccccc1[C@@H](NS(=O)(=O)c1ncc[n-]1)C1CCC(C)CC1 ZINC001192055879 1134962011 /nfs/dbraw/zinc/96/20/11/1134962011.db2.gz GCBUOPREMKGUCK-PGEKIEPBSA-N -1 0 347.484 3.564 20 0 EHADRM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1cc2ccccc2nc1C ZINC001192315967 1134998101 /nfs/dbraw/zinc/99/81/01/1134998101.db2.gz CVCFNTWCYWGDKE-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM COc1cc(Cl)cc([N-]S(=O)(=O)c2cnc(Cl)cc2C)c1 ZINC001192357761 1135005528 /nfs/dbraw/zinc/00/55/28/1135005528.db2.gz JKXBHSWTMRUFQM-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM COCc1cc(NC(=O)/C=C(\C)c2ccc(F)cc2)cc(C(=O)[O-])c1 ZINC000794001544 1135012452 /nfs/dbraw/zinc/01/24/52/1135012452.db2.gz ALXXKLHCGOWJHC-KPKJPENVSA-N -1 0 343.354 3.712 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(F)c(Br)c2[O-])c(C)n1C ZINC001192437292 1135017983 /nfs/dbraw/zinc/01/79/83/1135017983.db2.gz SORKZFXMJBQXKS-UHFFFAOYSA-N -1 0 341.180 3.501 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc3cccccc-3c2)cnc1Cl ZINC001192534328 1135032781 /nfs/dbraw/zinc/03/27/81/1135032781.db2.gz XZOLYWZNCMQXAC-UHFFFAOYSA-N -1 0 332.812 3.949 20 0 EHADRM Cc1cc(NC(=O)c2c(F)ccc(F)c2[O-])n(-c2ccccc2F)n1 ZINC001192694616 1135045371 /nfs/dbraw/zinc/04/53/71/1135045371.db2.gz KRHHSHKYZJAGLQ-UHFFFAOYSA-N -1 0 347.296 3.556 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(SC)cc2)c1 ZINC001192805802 1135056860 /nfs/dbraw/zinc/05/68/60/1135056860.db2.gz PIZHXQIUJHSEQX-UHFFFAOYSA-N -1 0 337.466 3.780 20 0 EHADRM O=C(NCc1cc2cc(Cl)ccc2[nH]1)c1ccc(F)c(F)c1[O-] ZINC001192811814 1135057896 /nfs/dbraw/zinc/05/78/96/1135057896.db2.gz VUQWSJULJNKHCH-UHFFFAOYSA-N -1 0 336.725 3.735 20 0 EHADRM O=C(Nc1ccc(Cl)c2nsnc21)c1ccc([O-])c(F)c1F ZINC001192841118 1135064280 /nfs/dbraw/zinc/06/42/80/1135064280.db2.gz IKDFWNZVCIDHRJ-UHFFFAOYSA-N -1 0 341.726 3.581 20 0 EHADRM Cc1ccc2ccccc2c1[N-]S(=O)(=O)c1cnccc1Cl ZINC001192847436 1135064823 /nfs/dbraw/zinc/06/48/23/1135064823.db2.gz WMWGCGZLMHUVJN-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM O=C(NCC1(Cc2ccccc2F)CC1)c1ccc([O-])c(F)c1F ZINC001192850098 1135064976 /nfs/dbraw/zinc/06/49/76/1135064976.db2.gz YZMPLYUTGREUHW-UHFFFAOYSA-N -1 0 335.325 3.562 20 0 EHADRM O=C(Nc1cc(-c2ccc(F)cc2)no1)c1cc(F)c([O-])cc1F ZINC001192852658 1135065974 /nfs/dbraw/zinc/06/59/74/1135065974.db2.gz JFPZMFSLEFFSMI-UHFFFAOYSA-N -1 0 334.253 3.717 20 0 EHADRM C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC000804528980 1135108236 /nfs/dbraw/zinc/10/82/36/1135108236.db2.gz PEDFJOOEFGMBSU-KSSFIOAISA-N -1 0 347.418 3.949 20 0 EHADRM O=C(Nc1c(Cl)ccc([O-])c1Cl)c1cnnn1-c1ccccc1 ZINC001193428792 1135137750 /nfs/dbraw/zinc/13/77/50/1135137750.db2.gz IRJYMGUMFCXTMM-UHFFFAOYSA-N -1 0 349.177 3.532 20 0 EHADRM COc1cc(C(F)(F)F)ccc1NC(=O)c1ccc(F)c([O-])c1F ZINC001193784222 1135180570 /nfs/dbraw/zinc/18/05/70/1135180570.db2.gz KIIAPDRALHAEFL-UHFFFAOYSA-N -1 0 347.239 3.950 20 0 EHADRM O=C(Nc1ccc(-c2cccnc2)cc1)c1ccc(F)c([O-])c1F ZINC001193783908 1135180577 /nfs/dbraw/zinc/18/05/77/1135180577.db2.gz GHBYYHWBUQAVPL-UHFFFAOYSA-N -1 0 326.302 3.985 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC000804780651 1135189552 /nfs/dbraw/zinc/18/95/52/1135189552.db2.gz DWDSFXNTNNRUHU-DYVFJYSZSA-N -1 0 333.391 3.559 20 0 EHADRM CCc1nccnc1[N-]S(=O)(=O)c1ccc(-c2cccs2)cc1 ZINC001194145079 1135233458 /nfs/dbraw/zinc/23/34/58/1135233458.db2.gz APEQVZPQYGOTOL-UHFFFAOYSA-N -1 0 345.449 3.568 20 0 EHADRM O=C([N-]CC(F)(F)Br)C(F)(F)c1cccc(Cl)c1 ZINC000805241728 1135248257 /nfs/dbraw/zinc/24/82/57/1135248257.db2.gz SVAYTAIYQACYCS-UHFFFAOYSA-N -1 0 348.521 3.536 20 0 EHADRM CC(C)(C)COC(=O)Nc1ccc(I)cc1O ZINC001194385963 1135262630 /nfs/dbraw/zinc/26/26/30/1135262630.db2.gz ZTDLHDSDIMGUPN-UHFFFAOYSA-N -1 0 349.168 3.591 20 0 EHADRM Cc1cnc(C)c([N-]S(=O)(=O)c2cccc3c(Cl)cccc32)n1 ZINC001194404569 1135264982 /nfs/dbraw/zinc/26/49/82/1135264982.db2.gz SYXZTSZFQNCLDF-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM COc1c(Cl)c(Cl)sc1C(=O)[N-]c1noc2cccnc12 ZINC001194546871 1135284004 /nfs/dbraw/zinc/28/40/04/1135284004.db2.gz HWLRMSGRYUQGNI-UHFFFAOYSA-N -1 0 344.179 3.852 20 0 EHADRM COc1ncccc1S(=O)(=O)[N-]c1c(C)cc(C(C)(C)C)cc1C ZINC001194719338 1135312571 /nfs/dbraw/zinc/31/25/71/1135312571.db2.gz RUCPNFDSYUHUGY-UHFFFAOYSA-N -1 0 348.468 3.805 20 0 EHADRM Cc1c(O)ccc2c(C[N@@H+]3CCC[C@H]3c3cccnc3)cc(=O)oc12 ZINC000805746702 1135323994 /nfs/dbraw/zinc/32/39/94/1135323994.db2.gz GDWNKGPJNOHVHT-KRWDZBQOSA-N -1 0 336.391 3.539 20 0 EHADRM Cc1cc(F)c(S(=O)(=O)NC(C)(C)c2ccc(F)cc2)c(F)c1 ZINC001194833951 1135327360 /nfs/dbraw/zinc/32/73/60/1135327360.db2.gz XOTOTCORRVTNTM-UHFFFAOYSA-N -1 0 343.370 3.626 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)[N-]S(=O)(=O)C1(C)CC1 ZINC000806028682 1135375602 /nfs/dbraw/zinc/37/56/02/1135375602.db2.gz KSYGJKKIMIYGTR-UHFFFAOYSA-N -1 0 343.404 3.507 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cccc([C@@H](C)O)c1 ZINC001195267296 1135402077 /nfs/dbraw/zinc/40/20/77/1135402077.db2.gz BDKKMGLRMICNFW-LLVKDONJSA-N -1 0 325.817 3.503 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)N[C@H](C1CCC1)C(F)(F)F ZINC001195328610 1135406353 /nfs/dbraw/zinc/40/63/53/1135406353.db2.gz ZDAPVRJDLCRRBT-GFCCVEGCSA-N -1 0 341.782 3.658 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccnc(C(C)(C)C)n1 ZINC001195284420 1135407504 /nfs/dbraw/zinc/40/75/04/1135407504.db2.gz MPBXOCFQJPYEFG-UHFFFAOYSA-N -1 0 339.848 3.537 20 0 EHADRM CC(C)(C)NC(=O)c1cccc(NC(=O)c2cccc(Cl)c2[O-])c1 ZINC000775661806 1135437112 /nfs/dbraw/zinc/43/71/12/1135437112.db2.gz PDOHSQYETSLWSA-UHFFFAOYSA-N -1 0 346.814 3.826 20 0 EHADRM CC(=O)Nc1c(C)ccc(NC(=O)c2cccc(Cl)c2[O-])c1C ZINC000775666081 1135443001 /nfs/dbraw/zinc/44/30/01/1135443001.db2.gz SCJBJBZOGQBDOK-UHFFFAOYSA-N -1 0 332.787 3.873 20 0 EHADRM COC(=O)Nc1ccccc1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000805261528 1135444847 /nfs/dbraw/zinc/44/48/47/1135444847.db2.gz DQANEOLPFGBCHQ-UHFFFAOYSA-N -1 0 338.722 3.615 20 0 EHADRM Cc1cc(N2CCCCCC2)ccc1NC(=O)NO[C@@H]1CCCCO1 ZINC000806635319 1135476903 /nfs/dbraw/zinc/47/69/03/1135476903.db2.gz RAOKAINWYBNCKE-GOSISDBHSA-N -1 0 347.459 3.955 20 0 EHADRM CCCSc1nc(=NC(=O)N(C)OCc2ccccc2)s[n-]1 ZINC000775673163 1135480008 /nfs/dbraw/zinc/48/00/08/1135480008.db2.gz GZGJPYQFRYHAAX-UHFFFAOYSA-N -1 0 338.458 3.636 20 0 EHADRM CCc1cc(Br)ccc1NC(=O)NO[C@@H]1CCCCO1 ZINC000775674954 1135486942 /nfs/dbraw/zinc/48/69/42/1135486942.db2.gz KURNTRUYDAFSBX-CYBMUJFWSA-N -1 0 343.221 3.591 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2cccc3c2CCCC3)cc1C ZINC000775678124 1135503564 /nfs/dbraw/zinc/50/35/64/1135503564.db2.gz AAXKCLGULNXMBB-ZDUSSCGKSA-N -1 0 347.484 3.842 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)sc2c1)c1cc(=O)[nH]c(Cl)c1 ZINC001196182096 1135528940 /nfs/dbraw/zinc/52/89/40/1135528940.db2.gz LIPVXMHSZMXJGM-UHFFFAOYSA-N -1 0 337.813 3.591 20 0 EHADRM Cc1ccc(OC(C)C)cc1[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC001196245268 1135540111 /nfs/dbraw/zinc/54/01/11/1135540111.db2.gz OHYIGWOFTYBFKU-UHFFFAOYSA-N -1 0 340.832 3.631 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)c(F)c1 ZINC001196353152 1135550198 /nfs/dbraw/zinc/55/01/98/1135550198.db2.gz DLRNGHZJOVRURD-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM O=C(Nc1ncc(-c2ccccc2)s1)c1cc(Cl)ncc1[O-] ZINC001196387573 1135553529 /nfs/dbraw/zinc/55/35/29/1135553529.db2.gz PYYQXSMBXZTNKK-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM O=C(Nc1cnc2cc(Cl)ccc2c1)c1cc(Cl)ncc1[O-] ZINC001196387861 1135553646 /nfs/dbraw/zinc/55/36/46/1135553646.db2.gz WGMXOARXFZMIHX-UHFFFAOYSA-N -1 0 334.162 3.895 20 0 EHADRM O=C(c1cc(Cl)c(F)cc1[O-])N1CCC[C@@H]1c1nccs1 ZINC001196466274 1135563794 /nfs/dbraw/zinc/56/37/94/1135563794.db2.gz GKGPKBWMOITWCO-LLVKDONJSA-N -1 0 326.780 3.619 20 0 EHADRM COc1ccc2c(c1NC(=O)c1cc(Cl)c(F)cc1[O-])C(=O)CC2 ZINC001196468024 1135564302 /nfs/dbraw/zinc/56/43/02/1135564302.db2.gz WXVYAZIZJFKKFE-UHFFFAOYSA-N -1 0 349.745 3.575 20 0 EHADRM O=C(N[C@H](c1cncc(F)c1)C1CC1)c1cc(Cl)c(F)cc1[O-] ZINC001196477912 1135565745 /nfs/dbraw/zinc/56/57/45/1135565745.db2.gz JQEWCIHPBKCDRJ-HNNXBMFYSA-N -1 0 338.741 3.600 20 0 EHADRM CCn1c2ccccc2nc1[C@H](C)NC(=O)c1cccc(Cl)c1[O-] ZINC000775723626 1135578092 /nfs/dbraw/zinc/57/80/92/1135578092.db2.gz CIXOBOKDXCENNR-NSHDSACASA-N -1 0 343.814 3.906 20 0 EHADRM Cc1c(=O)[n-]n(-c2ccccc2)c1NC(=S)Nc1ccc(F)cc1 ZINC001196971593 1135630278 /nfs/dbraw/zinc/63/02/78/1135630278.db2.gz DPWXNJMVQLGSQG-UHFFFAOYSA-N -1 0 342.399 3.834 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2cccc(C3CCC3)n2)cc1 ZINC001197084912 1135644238 /nfs/dbraw/zinc/64/42/38/1135644238.db2.gz ZJCWJTWUIWIZRX-UHFFFAOYSA-N -1 0 327.409 3.856 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N2CCC[C@H]2c2ccccc2)cc1 ZINC001197095185 1135644530 /nfs/dbraw/zinc/64/45/30/1135644530.db2.gz CTHKROSDPZGDTR-INIZCTEOSA-N -1 0 326.421 3.919 20 0 EHADRM C[C@H]1CN(C(=S)Nc2ccc(C(=O)[O-])cc2)Cc2ccccc21 ZINC001197075222 1135647193 /nfs/dbraw/zinc/64/71/93/1135647193.db2.gz GCVHMHIEGIVCGE-LBPRGKRZSA-N -1 0 326.421 3.701 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NCc2cc3ccccc3o2)cc1 ZINC001197129830 1135648174 /nfs/dbraw/zinc/64/81/74/1135648174.db2.gz IXGCTKKBEOCYSL-UHFFFAOYSA-N -1 0 326.377 3.618 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2cnccc2C2CCC2)cc1 ZINC001197082817 1135648226 /nfs/dbraw/zinc/64/82/26/1135648226.db2.gz IZIWKWMSABLLBV-UHFFFAOYSA-N -1 0 327.409 3.856 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NC2(c3ccccc3)CCC2)cc1 ZINC001197136944 1135648865 /nfs/dbraw/zinc/64/88/65/1135648865.db2.gz MTKWRABQMBMVCW-UHFFFAOYSA-N -1 0 326.421 3.751 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2ccc3scnc3c2)cc1 ZINC001197112434 1135650818 /nfs/dbraw/zinc/65/08/18/1135650818.db2.gz DYLKHJNNIJQRGD-UHFFFAOYSA-N -1 0 329.406 3.803 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CC(OCCCc2ccccc2)C1 ZINC000775769542 1135676381 /nfs/dbraw/zinc/67/63/81/1135676381.db2.gz RHCBBEPMWZTZFE-UHFFFAOYSA-N -1 0 345.826 3.519 20 0 EHADRM C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)c1cccc(Cl)c1[O-] ZINC000775777087 1135700321 /nfs/dbraw/zinc/70/03/21/1135700321.db2.gz KFSZTGDPURSPDE-SNVBAGLBSA-N -1 0 335.762 3.576 20 0 EHADRM CC(C)[C@H](C)N(CC(=O)[N-]OCc1ccccc1)c1ccccc1 ZINC001197719285 1135726441 /nfs/dbraw/zinc/72/64/41/1135726441.db2.gz HGJDJCZSJSXXOM-KRWDZBQOSA-N -1 0 326.440 3.786 20 0 EHADRM Cc1ccc(-c2ccc([N-]S(=O)(=O)c3cc(C)ccn3)cn2)cc1 ZINC001197963554 1135758183 /nfs/dbraw/zinc/75/81/83/1135758183.db2.gz QVSCQFAELULABJ-UHFFFAOYSA-N -1 0 339.420 3.561 20 0 EHADRM O=C(Nc1nnc(/C=C/c2ccco2)s1)c1cccc(Cl)c1[O-] ZINC000775803897 1135758373 /nfs/dbraw/zinc/75/83/73/1135758373.db2.gz DGEFEGDEHCWFPL-VOTSOKGWSA-N -1 0 347.783 3.913 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-]C(=O)CC[C@H](C)c2ccccc2)cc1 ZINC000809063423 1135770196 /nfs/dbraw/zinc/77/01/96/1135770196.db2.gz OXAWGIFWLZXYIG-INIZCTEOSA-N -1 0 345.464 3.525 20 0 EHADRM CCCCOc1ccc([N-]S(=O)(=O)c2cccc(Cl)n2)cc1 ZINC001198224227 1135786288 /nfs/dbraw/zinc/78/62/88/1135786288.db2.gz MSAVGJTWEYZIRK-UHFFFAOYSA-N -1 0 340.832 3.715 20 0 EHADRM O=S(=O)([N-]c1ccc2c3c(cccc31)CC2)c1cccc(Cl)n1 ZINC001198233737 1135790002 /nfs/dbraw/zinc/79/00/02/1135790002.db2.gz SXTHPDYMYHDHDO-UHFFFAOYSA-N -1 0 344.823 3.788 20 0 EHADRM Cc1ccc(C(F)(F)F)c([N-]S(=O)(=O)c2ccc(C)nc2)c1 ZINC001198315446 1135799818 /nfs/dbraw/zinc/79/98/18/1135799818.db2.gz XJVDVSLCINWKBD-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM CC(C)(C)c1ccc(NC(=S)Nc2cc(=O)[n-]c(Cl)n2)cc1 ZINC001198468544 1135819022 /nfs/dbraw/zinc/81/90/22/1135819022.db2.gz LPLXPEIVPVVWBJ-UHFFFAOYSA-N -1 0 336.848 3.942 20 0 EHADRM Cc1cccc(N(C(=O)c2cccc(F)c2[O-])C2CCOCC2)c1 ZINC001131753995 1135848346 /nfs/dbraw/zinc/84/83/46/1135848346.db2.gz PTFOJTFOANOAAB-UHFFFAOYSA-N -1 0 329.371 3.666 20 0 EHADRM CCOC(=O)c1ccc(NC(=S)Nc2ccc([S-])cc2)cc1 ZINC001199041905 1135875493 /nfs/dbraw/zinc/87/54/93/1135875493.db2.gz APWNWHJRTKOVPD-UHFFFAOYSA-N -1 0 332.450 3.961 20 0 EHADRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@H](C)CCCc1ccccc1 ZINC000776088175 1135951643 /nfs/dbraw/zinc/95/16/43/1135951643.db2.gz FMQFYSZUJYHQTO-JKSUJKDBSA-N -1 0 339.501 3.528 20 0 EHADRM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC001149040696 1135954053 /nfs/dbraw/zinc/95/40/53/1135954053.db2.gz ANGGVIORQBMQQI-DZGCQCFKSA-N -1 0 327.428 3.523 20 0 EHADRM CCC(C)(C)c1ccc(COC(=O)Cc2c(C)nc(C)[nH]c2=O)cc1 ZINC000776107329 1135957366 /nfs/dbraw/zinc/95/73/66/1135957366.db2.gz LHCPYEATZNQNTJ-UHFFFAOYSA-N -1 0 342.439 3.773 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cncnc1-c1ccccc1 ZINC000810558806 1135972313 /nfs/dbraw/zinc/97/23/13/1135972313.db2.gz GDXDAELASUYIKL-UHFFFAOYSA-N -1 0 348.387 3.826 20 0 EHADRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1cc(C)c(C)c(C)c1 ZINC001201760492 1136060783 /nfs/dbraw/zinc/06/07/83/1136060783.db2.gz LFJOKWYERRYZHI-UHFFFAOYSA-N -1 0 330.862 3.831 20 0 EHADRM CCOC(=O)c1c([N-]c2cnn(C(F)F)c2)onc1-c1ccccc1 ZINC001201732389 1136062553 /nfs/dbraw/zinc/06/25/53/1136062553.db2.gz JWNAJIDAAIXXIH-UHFFFAOYSA-N -1 0 348.309 3.854 20 0 EHADRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1c(C)ccnc1C(C)C ZINC001201736199 1136062748 /nfs/dbraw/zinc/06/27/48/1136062748.db2.gz QVZDAOLEQJDPHT-UHFFFAOYSA-N -1 0 345.877 3.733 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2nnc(C3CCCCC3)s2)c(C)o1 ZINC000776300980 1136149639 /nfs/dbraw/zinc/14/96/39/1136149639.db2.gz OSTUTKCOLIUHLB-UHFFFAOYSA-N -1 0 341.458 3.596 20 0 EHADRM CC(C)COc1ccc(C2(C(=O)[N-]OC/C=C\Cl)CCC2)cc1 ZINC000812406892 1136209301 /nfs/dbraw/zinc/20/93/01/1136209301.db2.gz DZFALUXXFQQMES-WCIBSUBMSA-N -1 0 337.847 3.943 20 0 EHADRM CCC(=O)Nc1ccccc1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000812548990 1136220161 /nfs/dbraw/zinc/22/01/61/1136220161.db2.gz USJJUKNPSIKBFH-UHFFFAOYSA-N -1 0 336.750 3.786 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cccc(-c3cnn(C)c3)c2)c1 ZINC000812704843 1136235465 /nfs/dbraw/zinc/23/54/65/1136235465.db2.gz SLFCEVCYESEKEN-UHFFFAOYSA-N -1 0 349.390 3.638 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@]1(C)CC=C(C)CC1 ZINC000851043445 1136331489 /nfs/dbraw/zinc/33/14/89/1136331489.db2.gz NVXRWCVMNPNTQB-FUHWJXTLSA-N -1 0 335.469 3.720 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C(C)(C)CC(C)C ZINC000814015541 1136386462 /nfs/dbraw/zinc/38/64/62/1136386462.db2.gz FYQVSJOJRFZULS-OAHLLOKOSA-N -1 0 325.474 3.656 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851597208 1136395568 /nfs/dbraw/zinc/39/55/68/1136395568.db2.gz ZYTDYZZTNMAMTK-DYLGSBMWSA-N -1 0 343.379 3.722 20 0 EHADRM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccc(/C=C\C(=O)[O-])o2)C1 ZINC000851604100 1136395856 /nfs/dbraw/zinc/39/58/56/1136395856.db2.gz LGOACKPLXBSIBR-VMUQFPEJSA-N -1 0 343.354 3.740 20 0 EHADRM CC1CCN(c2ccc(NC(=O)C3CCC(C(=O)[O-])CC3)cc2)CC1 ZINC000851690641 1136399820 /nfs/dbraw/zinc/39/98/20/1136399820.db2.gz IRXKWFONXCIZPA-UHFFFAOYSA-N -1 0 344.455 3.752 20 0 EHADRM CCN(C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)[C@@H](C)C(=O)[O-] ZINC000851696863 1136399898 /nfs/dbraw/zinc/39/98/98/1136399898.db2.gz YNEWBCCPQUVKFA-KWINOFQJSA-N -1 0 349.736 3.607 20 0 EHADRM C[C@@H](C(=O)NC[C@H](CC(=O)[O-])C1CC1)c1ccc2ccccc2c1 ZINC000851706016 1136400450 /nfs/dbraw/zinc/40/04/50/1136400450.db2.gz WDPJIDXDKRYWFU-ACJLOTCBSA-N -1 0 325.408 3.560 20 0 EHADRM CCCCC[C@@H](C(=O)[N-]S(=O)(=O)c1cc(C)oc1C)C(C)C ZINC000776558222 1136424100 /nfs/dbraw/zinc/42/41/00/1136424100.db2.gz SLPNZKBVTHOSAI-CQSZACIVSA-N -1 0 329.462 3.554 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)Sc1ccc(F)cc1 ZINC000852830266 1136489429 /nfs/dbraw/zinc/48/94/29/1136489429.db2.gz HVLAGOYVTIJEFX-NSHDSACASA-N -1 0 333.384 3.952 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)C2(Cc3ccccc3)CC2)c1 ZINC000776640961 1136504175 /nfs/dbraw/zinc/50/41/75/1136504175.db2.gz MDCRRNQZELKAKP-UHFFFAOYSA-N -1 0 329.783 4.000 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)nc1C ZINC000853076887 1136506481 /nfs/dbraw/zinc/50/64/81/1136506481.db2.gz QKKZRHARESMQTL-UHFFFAOYSA-N -1 0 342.367 3.527 20 0 EHADRM Cc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2F)c1C ZINC000776656696 1136526834 /nfs/dbraw/zinc/52/68/34/1136526834.db2.gz GYVBPUVJCWLYAN-INIZCTEOSA-N -1 0 333.334 3.527 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cc2ccccc2o1)c1ccc(F)cc1F ZINC000776654743 1136528508 /nfs/dbraw/zinc/52/85/08/1136528508.db2.gz QSFHOLRCGOIQQO-CQSZACIVSA-N -1 0 345.301 3.657 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H](CC(=O)[O-])c1ccccc1C ZINC000776675345 1136528712 /nfs/dbraw/zinc/52/87/12/1136528712.db2.gz DALCBJUYRABSLN-BJRSVTDJSA-N -1 0 341.382 3.870 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1F)c1ccccc1 ZINC000776659566 1136529383 /nfs/dbraw/zinc/52/93/83/1136529383.db2.gz GKDWRYYZUHNMOO-SJCJKPOMSA-N -1 0 347.361 3.791 20 0 EHADRM CC(C)c1ccc(NC(=O)C(=O)[N-]OCCC2CC2)c(C(C)C)c1 ZINC000815793624 1136640903 /nfs/dbraw/zinc/64/09/03/1136640903.db2.gz HGZFDTBDZFGRSW-UHFFFAOYSA-N -1 0 332.444 3.720 20 0 EHADRM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)/C(F)=C/C1CCCCC1 ZINC000815955760 1136653318 /nfs/dbraw/zinc/65/33/18/1136653318.db2.gz JHLUXJHNRYFDHL-OPCAMPFDSA-N -1 0 339.432 3.627 20 0 EHADRM CC(C)(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000816035725 1136662470 /nfs/dbraw/zinc/66/24/70/1136662470.db2.gz SISITQQDQHAAKH-UHFFFAOYSA-N -1 0 333.453 3.717 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H]1CCCC1(C)C ZINC000816110000 1136677100 /nfs/dbraw/zinc/67/71/00/1136677100.db2.gz QKBNKCJCFXJWLV-JKSUJKDBSA-N -1 0 337.485 3.656 20 0 EHADRM CC(C)C[C@H](C)C(=O)[N-]S(=O)(=O)[C@H](c1ccccc1)C(C)C ZINC000816112076 1136677735 /nfs/dbraw/zinc/67/77/35/1136677735.db2.gz MEOQZIYKMPPXQJ-HOCLYGCPSA-N -1 0 325.474 3.512 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C1=CCCCCC1 ZINC000816109471 1136677745 /nfs/dbraw/zinc/67/77/45/1136677745.db2.gz DESMJROXEVQSHO-KRWDZBQOSA-N -1 0 335.469 3.720 20 0 EHADRM CCC(CC)c1nnc([N-]C(=O)c2conc2C(F)(F)F)s1 ZINC000816842862 1136760595 /nfs/dbraw/zinc/76/05/95/1136760595.db2.gz GPFDMKDFGQGQML-UHFFFAOYSA-N -1 0 334.323 3.701 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1nc(F)ccc1Br ZINC000816923702 1136764022 /nfs/dbraw/zinc/76/40/22/1136764022.db2.gz OIIQVUTXWHTZJD-UHFFFAOYSA-N -1 0 345.555 3.595 20 0 EHADRM COCCc1ccccc1NC(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000816973160 1136768989 /nfs/dbraw/zinc/76/89/89/1136768989.db2.gz LEGMXYXMZYIQHV-UHFFFAOYSA-N -1 0 328.393 3.558 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc3[n-]c(=S)oc3c2)Cc2ccccc2O1 ZINC000817048446 1136772187 /nfs/dbraw/zinc/77/21/87/1136772187.db2.gz VPJDWOMUWZGSQC-LLVKDONJSA-N -1 0 340.404 3.540 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CC2(CCC2)[C@H]1c1ccncc1 ZINC000856491227 1136789102 /nfs/dbraw/zinc/78/91/02/1136789102.db2.gz BWEMGXKDEBNMHH-MRXNPFEDSA-N -1 0 328.799 3.808 20 0 EHADRM O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc(Cl)cc(Cl)c1[O-] ZINC001135968094 1136831101 /nfs/dbraw/zinc/83/11/01/1136831101.db2.gz IVCULSYHDHNVLG-UHFFFAOYSA-N -1 0 338.150 3.533 20 0 EHADRM CC(C)C(=O)Nc1cccc(OC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000857450661 1136872214 /nfs/dbraw/zinc/87/22/14/1136872214.db2.gz GDHXNMSXYZSBCR-UHFFFAOYSA-N -1 0 333.771 3.859 20 0 EHADRM Cc1nc2ccc(NC(=O)c3ccc4oc(=S)[n-]c4c3)cc2o1 ZINC001136148839 1136882203 /nfs/dbraw/zinc/88/22/03/1136882203.db2.gz MHWMEAPGGOFRCD-UHFFFAOYSA-N -1 0 325.349 3.818 20 0 EHADRM CC(C)(CCNC(=O)Nc1ccc(SC(F)F)cc1)C(=O)[O-] ZINC000818623362 1136886757 /nfs/dbraw/zinc/88/67/57/1136886757.db2.gz JAOJMRIDNKTOTB-UHFFFAOYSA-N -1 0 332.372 3.624 20 0 EHADRM O=c1nc(NCCCO[C@H]2CCCc3ccccc32)cc(Cl)[nH]1 ZINC000858411580 1136965645 /nfs/dbraw/zinc/96/56/45/1136965645.db2.gz OQIPXAULXWJEJI-AWEZNQCLSA-N -1 0 333.819 3.732 20 0 EHADRM COc1ccc([C@H](C)CC(=O)n2[n-]c(=O)c3ccc(OC)cc32)cc1 ZINC000819967735 1136967496 /nfs/dbraw/zinc/96/74/96/1136967496.db2.gz LGNMFKVDHYXOSW-GFCCVEGCSA-N -1 0 340.379 3.593 20 0 EHADRM O=C(COc1ccc(OCc2ccccc2)cc1)[N-]Oc1ccccc1 ZINC000820048871 1136974918 /nfs/dbraw/zinc/97/49/18/1136974918.db2.gz JINWWBSLGRARBR-UHFFFAOYSA-N -1 0 349.386 3.755 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC[C@H](c2ccccn2)C1 ZINC000820453594 1136992875 /nfs/dbraw/zinc/99/28/75/1136992875.db2.gz JQLUMWLXVVUTKH-ZDUSSCGKSA-N -1 0 339.420 3.531 20 0 EHADRM CC(=O)c1cc(F)c([N-]C(=O)c2nc(Cl)ccc2F)c(F)c1 ZINC000777066294 1136995656 /nfs/dbraw/zinc/99/56/56/1136995656.db2.gz INFVZANGNCLGGW-UHFFFAOYSA-N -1 0 328.677 3.607 20 0 EHADRM O=c1cc(CN2CCCC(F)(F)CC2)c2cc(Cl)c([O-])cc2o1 ZINC000859537991 1137019109 /nfs/dbraw/zinc/01/91/09/1137019109.db2.gz VOKYDWCEKXDITD-UHFFFAOYSA-N -1 0 343.757 3.773 20 0 EHADRM CCC[C@H]1CN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)CCO1 ZINC000859787615 1137030492 /nfs/dbraw/zinc/03/04/92/1137030492.db2.gz LPSNSXLDEPNGEG-AWEZNQCLSA-N -1 0 329.396 3.646 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(SC(F)F)cc1 ZINC000013255814 1137060717 /nfs/dbraw/zinc/06/07/17/1137060717.db2.gz CIAYBVIAUZOZHO-NEPJUHHUSA-N -1 0 327.352 3.607 20 0 EHADRM O=C([O-])CCc1ccc(-c2noc(-c3ccc4c(c3)CCCN4)n2)cc1 ZINC000822622185 1137066618 /nfs/dbraw/zinc/06/66/18/1137066618.db2.gz USWBCOZNBYWOOW-UHFFFAOYSA-N -1 0 349.390 3.779 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)Cc2ccc3c(c2)CCCC3)cc1 ZINC000013403930 1137080862 /nfs/dbraw/zinc/08/08/62/1137080862.db2.gz QVZLSQDUIKFREZ-XYOKQWHBSA-N -1 0 335.403 3.844 20 0 EHADRM CC1(C)CN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])[C@H]1C1CC1 ZINC000823019439 1137082068 /nfs/dbraw/zinc/08/20/68/1137082068.db2.gz SLVSABRHEPPSNI-SFHVURJKSA-N -1 0 339.391 3.725 20 0 EHADRM CCN(C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])[C@H](C)C(C)C ZINC000823010568 1137083380 /nfs/dbraw/zinc/08/33/80/1137083380.db2.gz UGWNYNORONIGNA-CYBMUJFWSA-N -1 0 329.396 3.971 20 0 EHADRM CN(C)c1cccc([C@H]2CCCN2C(=O)c2c([O-])cc(F)cc2F)c1 ZINC000117987751 1137092504 /nfs/dbraw/zinc/09/25/04/1137092504.db2.gz BIEKEZIPUVPQFQ-MRXNPFEDSA-N -1 0 346.377 3.714 20 0 EHADRM CCC(CC)[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000823328537 1137095305 /nfs/dbraw/zinc/09/53/05/1137095305.db2.gz HVYXHPBPHAWPRD-BMIGLBTASA-N -1 0 327.371 3.669 20 0 EHADRM CCCCCC[C@](C)(CC)C(=O)[N-]S(=O)(=O)C1(C(F)F)CC1 ZINC000861163161 1137095341 /nfs/dbraw/zinc/09/53/41/1137095341.db2.gz JXBCWKQPCWWMSG-AWEZNQCLSA-N -1 0 339.448 3.617 20 0 EHADRM COc1ccccc1SC[C@@H](C)CNC(=O)c1cccc(O)c1F ZINC001136714186 1137097705 /nfs/dbraw/zinc/09/77/05/1137097705.db2.gz FUVWWZMEYUGBKV-LBPRGKRZSA-N -1 0 349.427 3.698 20 0 EHADRM CC[C@@H](C(=O)[N-]OC/C=C\Cl)c1ccc(Br)cc1 ZINC000861782643 1137120752 /nfs/dbraw/zinc/12/07/52/1137120752.db2.gz GTRDXMYNTSKBLC-CPWLGJMPSA-N -1 0 332.625 3.743 20 0 EHADRM CSc1ccc(F)cc1CNC(=O)c1ccc([O-])c(Cl)c1 ZINC001136965367 1137158519 /nfs/dbraw/zinc/15/85/19/1137158519.db2.gz RLEJKBIUHWDUSB-UHFFFAOYSA-N -1 0 325.792 3.837 20 0 EHADRM CO[C@@H](CNC(=O)c1ccc(Cl)c([O-])c1)c1cccc(Cl)c1 ZINC001136980262 1137162854 /nfs/dbraw/zinc/16/28/54/1137162854.db2.gz GANDOTMRDRDBRZ-HNNXBMFYSA-N -1 0 340.206 3.817 20 0 EHADRM O=C([O-])C1(C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)CCCC1 ZINC000844151888 1137199819 /nfs/dbraw/zinc/19/98/19/1137199819.db2.gz IYKXSKAXZANDQD-UHFFFAOYSA-N -1 0 340.423 3.519 20 0 EHADRM Cc1nc(N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc(C(F)(F)F)n1 ZINC000844218327 1137203462 /nfs/dbraw/zinc/20/34/62/1137203462.db2.gz KRBTUQBHLKXJPL-NWDGAFQWSA-N -1 0 337.301 3.529 20 0 EHADRM Cc1noc(C)c1[C@H](C)NCc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000794563850 1137203822 /nfs/dbraw/zinc/20/38/22/1137203822.db2.gz XVDNRROGHUYWDK-QMMMGPOBSA-N -1 0 348.786 3.608 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)Cc1csc2sc(C)cc12 ZINC000864117591 1137215942 /nfs/dbraw/zinc/21/59/42/1137215942.db2.gz BBLYSYLAROWXPW-OAHLLOKOSA-N -1 0 325.455 3.573 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc(-c2ccccc2OC)s1 ZINC000864124321 1137216274 /nfs/dbraw/zinc/21/62/74/1137216274.db2.gz MYKJCOPTPOFUDG-LBPRGKRZSA-N -1 0 347.436 3.749 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)CCc1ccc(C(F)F)cc1 ZINC000864132836 1137216777 /nfs/dbraw/zinc/21/67/77/1137216777.db2.gz WHAHYGQXIDGQAM-HNNXBMFYSA-N -1 0 339.382 3.803 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)/C=C/c1ccsc1C(F)(F)F ZINC000864140473 1137216836 /nfs/dbraw/zinc/21/68/36/1137216836.db2.gz AWFGNYJONMBOTE-NNTXTVRGSA-N -1 0 349.374 3.786 20 0 EHADRM Cc1cc(C)cc([C@@H]2CCN(C(=O)/C=C/c3cc(C(=O)[O-])co3)C2)c1 ZINC000864136851 1137216934 /nfs/dbraw/zinc/21/69/34/1137216934.db2.gz CXXNRSZWUVQOKS-NHZBNJEXSA-N -1 0 339.391 3.624 20 0 EHADRM Cc1cc2c(CC(=O)N[C@H]3CCC[C@@]3(C)C(=O)[O-])csc2s1 ZINC000864156515 1137217395 /nfs/dbraw/zinc/21/73/95/1137217395.db2.gz YFHJAVXHSNIGQF-BLLLJJGKSA-N -1 0 337.466 3.573 20 0 EHADRM Cc1ccc(C(=O)N[C@H]2C[C@H](c3cccc(F)c3)C2)cc1C(=O)[O-] ZINC000864159207 1137217685 /nfs/dbraw/zinc/21/76/85/1137217685.db2.gz XRNJUNJBBALQRN-KOMQPUFPSA-N -1 0 327.355 3.508 20 0 EHADRM C/C(=C/c1cccc(Cl)c1)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000864175128 1137217831 /nfs/dbraw/zinc/21/78/31/1137217831.db2.gz JCYYFABCZFJIBD-PLGNNJLDSA-N -1 0 347.842 3.845 20 0 EHADRM CC(C)(C)[C@@H]1Cc2ccccc2N(C(=O)c2cc(C(=O)[O-])ccn2)C1 ZINC000864173389 1137217834 /nfs/dbraw/zinc/21/78/34/1137217834.db2.gz ATKPYAFIJXGJEV-OAHLLOKOSA-N -1 0 338.407 3.645 20 0 EHADRM CC1(C)[C@@H](c2ccccc2F)CCN1C(=O)C1CCC(C(=O)[O-])CC1 ZINC000864217001 1137219120 /nfs/dbraw/zinc/21/91/20/1137219120.db2.gz JSICLKZXIMCCJI-ZBCRRDGASA-N -1 0 347.430 3.811 20 0 EHADRM Cc1sc(C)c2c1[nH]c(-c1ccc(C[C@H](C)C(=O)[O-])cc1)nc2=O ZINC000864354794 1137223219 /nfs/dbraw/zinc/22/32/19/1137223219.db2.gz IQMFKDBPBJSGHT-VIFPVBQESA-N -1 0 342.420 3.532 20 0 EHADRM Cc1sc(C)c2c1[n-]c(-c1cccc(OCC(F)F)n1)nc2=O ZINC000864354443 1137223260 /nfs/dbraw/zinc/22/32/60/1137223260.db2.gz FSNAABJOFDBZQY-UHFFFAOYSA-N -1 0 337.351 3.720 20 0 EHADRM COCC[C@@H](Cc1cccc(-c2ccc3nccnc3c2)c1)C(=O)[O-] ZINC000864612841 1137236744 /nfs/dbraw/zinc/23/67/44/1137236744.db2.gz GPBWOSGSFZVFGS-KRWDZBQOSA-N -1 0 336.391 3.577 20 0 EHADRM O=C([O-])c1ccccc1N[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC001171146396 1137244957 /nfs/dbraw/zinc/24/49/57/1137244957.db2.gz QKUOKEZTQKUOGQ-CQSZACIVSA-N -1 0 325.286 3.549 20 0 EHADRM CC(C)Sc1c(Cl)cccc1NCc1cn(C)nc1C(=O)[O-] ZINC000864782900 1137245734 /nfs/dbraw/zinc/24/57/34/1137245734.db2.gz CLIJVMWTGPHCIZ-UHFFFAOYSA-N -1 0 339.848 3.884 20 0 EHADRM COC(=O)c1c(C)ccc(Nc2cc(F)c(C(=O)[O-])c(F)c2)c1F ZINC001203333434 1137252012 /nfs/dbraw/zinc/25/20/12/1137252012.db2.gz DBGRVPKETGHYLU-UHFFFAOYSA-N -1 0 339.269 3.641 20 0 EHADRM CC[C@H](C)CO[N-]C(=O)Cc1csc(COc2ccc(C)cc2)n1 ZINC000794876879 1137321051 /nfs/dbraw/zinc/32/10/51/1137321051.db2.gz YPILIJHEOZOBFT-ZDUSSCGKSA-N -1 0 348.468 3.667 20 0 EHADRM Cc1nc([C@H](C)NC(=O)/C=C/C2CCCCCC2)sc1C(=O)[O-] ZINC000846117330 1137334173 /nfs/dbraw/zinc/33/41/73/1137334173.db2.gz CGFGVFUZWCJOGH-VMPCVLLUSA-N -1 0 336.457 3.854 20 0 EHADRM C[C@H](NC(=O)[C@@]1(C(=O)[O-])CC=CCC1)c1ccccc1C(F)(F)F ZINC000846707760 1137363230 /nfs/dbraw/zinc/36/32/30/1137363230.db2.gz YIDWDRRJFCBRJB-MEDUHNTESA-N -1 0 341.329 3.694 20 0 EHADRM Cc1ccccc1-n1nccc1/C=C\c1ncc(/C=C\C(=O)[O-])s1 ZINC000794940928 1137373513 /nfs/dbraw/zinc/37/35/13/1137373513.db2.gz FZUNTTXOZLROLZ-VRHVFUOLSA-N -1 0 337.404 3.905 20 0 EHADRM CCc1cc(C(=O)c2ccccc2Cl)c([N-]S(C)(=O)=O)s1 ZINC001252635814 1137376967 /nfs/dbraw/zinc/37/69/67/1137376967.db2.gz XEECUFUDQIUAQF-UHFFFAOYSA-N -1 0 343.857 3.566 20 0 EHADRM C[C@H]1C[C@H](NC(=O)c2cccc(Br)c2[O-])C[C@@H](C)C1 ZINC001147331544 1137404492 /nfs/dbraw/zinc/40/44/92/1137404492.db2.gz MATRSRRDIOLEQP-URLYPYJESA-N -1 0 326.234 3.709 20 0 EHADRM O=C(NCCCc1ccc(O)cc1)c1cc(Cl)cc(Cl)c1[O-] ZINC001147790462 1137412828 /nfs/dbraw/zinc/41/28/28/1137412828.db2.gz GGYGJDKMYYQLEL-UHFFFAOYSA-N -1 0 340.206 3.767 20 0 EHADRM O=C(Nc1ccc(-n2ccnn2)cc1)c1cc(Cl)cc(Cl)c1[O-] ZINC001148815142 1137435717 /nfs/dbraw/zinc/43/57/17/1137435717.db2.gz JUTWGEGCUHMXHK-UHFFFAOYSA-N -1 0 349.177 3.532 20 0 EHADRM CCCC(=O)Nc1cccc(NC(=O)c2cc(C(=O)[O-])c(CC)o2)c1 ZINC000339088071 1137438235 /nfs/dbraw/zinc/43/82/35/1137438235.db2.gz LZWYDDQOIPJTOP-UHFFFAOYSA-N -1 0 344.367 3.531 20 0 EHADRM O=C([O-])c1cc(Br)ccc1NCc1cccc2ncoc21 ZINC001171455576 1137490104 /nfs/dbraw/zinc/49/01/04/1137490104.db2.gz BISOOMLQYOXLEH-UHFFFAOYSA-N -1 0 347.168 3.901 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NCc1cc[nH]n1)c1cc(Cl)cc(Cl)c1 ZINC000871065531 1137520593 /nfs/dbraw/zinc/52/05/93/1137520593.db2.gz HHJXHGHZDDEVQI-ZDUSSCGKSA-N -1 0 342.226 3.658 20 0 EHADRM CCOc1ccc(OC(C)(C)C(=O)[N-]OCCCC(F)(F)F)cc1 ZINC000871212358 1137527454 /nfs/dbraw/zinc/52/74/54/1137527454.db2.gz RFCRQXDHWWZAOG-UHFFFAOYSA-N -1 0 349.349 3.633 20 0 EHADRM CN(C)C(=O)Sc1cccc(NC(=O)c2ccc(F)cc2[O-])c1 ZINC000123789308 1137558061 /nfs/dbraw/zinc/55/80/61/1137558061.db2.gz ADDMZCPFFAJZLO-UHFFFAOYSA-N -1 0 334.372 3.557 20 0 EHADRM CC(C)n1nccc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)CC2 ZINC000872002301 1137564295 /nfs/dbraw/zinc/56/42/95/1137564295.db2.gz JYZONYYTRAHKAO-UHFFFAOYSA-N -1 0 341.436 3.517 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(F)cc2C)noc1C(C)(C)C ZINC000872006995 1137564436 /nfs/dbraw/zinc/56/44/36/1137564436.db2.gz FGWZSYQKLPSNNE-UHFFFAOYSA-N -1 0 326.393 3.529 20 0 EHADRM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(C(F)F)o2)n1 ZINC000872009963 1137564330 /nfs/dbraw/zinc/56/43/30/1137564330.db2.gz CMRRKXGGBFVXRG-VIFPVBQESA-N -1 0 346.355 3.590 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(C)c(F)c2F)noc1C(C)(C)C ZINC000872009206 1137564361 /nfs/dbraw/zinc/56/43/61/1137564361.db2.gz VKWFRTLPHLUTND-UHFFFAOYSA-N -1 0 344.383 3.668 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cc(Cl)ccc2F)noc1C(C)(C)C ZINC000872007400 1137564389 /nfs/dbraw/zinc/56/43/89/1137564389.db2.gz QJJBVTACDLSNRC-UHFFFAOYSA-N -1 0 346.811 3.874 20 0 EHADRM O=C([O-])c1csc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000872158028 1137574307 /nfs/dbraw/zinc/57/43/07/1137574307.db2.gz YPHKVKJLSOGIQE-HNNXBMFYSA-N -1 0 337.828 3.673 20 0 EHADRM Cc1ccc(CN(C)Cc2nc(C(F)(F)F)cs2)cc1C(=O)[O-] ZINC000872159005 1137574522 /nfs/dbraw/zinc/57/45/22/1137574522.db2.gz KQQALRXDMVAMND-UHFFFAOYSA-N -1 0 344.358 3.801 20 0 EHADRM O=C([O-])c1cc(NC(=O)Cc2csc(C3CCCC3)n2)ccc1F ZINC000872712663 1137582991 /nfs/dbraw/zinc/58/29/91/1137582991.db2.gz WTXHFSAWSHAJKZ-UHFFFAOYSA-N -1 0 348.399 3.819 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3CC[C@]4(C(=O)[O-])CCC[C@H]34)s2)o1 ZINC000872765759 1137584051 /nfs/dbraw/zinc/58/40/51/1137584051.db2.gz APTHWKNSKKIBOX-MAUKXSAKSA-N -1 0 345.420 3.786 20 0 EHADRM COc1ccc(NC(=O)C(C)(C)CCC(=O)[O-])cc1OC1CCCC1 ZINC000872836336 1137585267 /nfs/dbraw/zinc/58/52/67/1137585267.db2.gz ZMSCEGQSINTHLU-UHFFFAOYSA-N -1 0 349.427 3.846 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)CC3(C(=O)[O-])CCC3)cc2)nc1 ZINC000872846022 1137585477 /nfs/dbraw/zinc/58/54/77/1137585477.db2.gz WBSMSDWEPBFTJN-UHFFFAOYSA-N -1 0 340.379 3.766 20 0 EHADRM CCC(CC)(CC(=O)Nc1cc(Cl)c(N)c(Cl)c1)C(=O)[O-] ZINC000872942633 1137586813 /nfs/dbraw/zinc/58/68/13/1137586813.db2.gz KNQLOFCSDUYKLT-UHFFFAOYSA-N -1 0 333.215 3.795 20 0 EHADRM CC(C)(C)c1ccc(CNC(=O)[C@](C)(CC(=O)[O-])c2ccsc2)o1 ZINC000872997000 1137587677 /nfs/dbraw/zinc/58/76/77/1137587677.db2.gz BDHMHFAAJSYYFU-GOSISDBHSA-N -1 0 349.452 3.687 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cscc2Cl)Cc2ccccc2C1 ZINC000873005531 1137587852 /nfs/dbraw/zinc/58/78/52/1137587852.db2.gz WMCLEYMVMXKWDM-UHFFFAOYSA-N -1 0 335.812 3.600 20 0 EHADRM Cc1sc(N2CC[C@H](C(=O)[O-])[C@@H](C)C2)nc1-c1ccc(F)cc1 ZINC000873061133 1137589293 /nfs/dbraw/zinc/58/92/93/1137589293.db2.gz HMLOTDLDYGUDNJ-HZMBPMFUSA-N -1 0 334.416 3.805 20 0 EHADRM C[C@H]1CCCN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])CC1 ZINC000874246952 1137611992 /nfs/dbraw/zinc/61/19/92/1137611992.db2.gz GNWBEYSQBMTUPH-ZDUSSCGKSA-N -1 0 327.380 3.727 20 0 EHADRM O=Cc1ccc(-c2cccc(-n3nc(C(=O)[O-])c4c3CCC4)c2)s1 ZINC000874970938 1137627304 /nfs/dbraw/zinc/62/73/04/1137627304.db2.gz IOVHMANLTQNOHB-UHFFFAOYSA-N -1 0 338.388 3.600 20 0 EHADRM CCCC[C@@H](NC(=O)c1nn(-c2ccccc2F)cc1[O-])C1CCC1 ZINC001137545782 1137641309 /nfs/dbraw/zinc/64/13/09/1137641309.db2.gz BMMJKSWJNMIZFB-OAHLLOKOSA-N -1 0 345.418 3.806 20 0 EHADRM O=S(=O)([N-]c1cccc(F)n1)c1ccc(-c2ccccc2)cc1 ZINC000130857523 1137842837 /nfs/dbraw/zinc/84/28/37/1137842837.db2.gz QPFLGGGTHWDTRH-UHFFFAOYSA-N -1 0 328.368 3.689 20 0 EHADRM CCOC(=O)c1csc(Nc2c3nsnc3ccc2Cl)n1 ZINC000133145066 1137879209 /nfs/dbraw/zinc/87/92/09/1137879209.db2.gz NDXXWLAVDCWWQO-UHFFFAOYSA-N -1 0 340.817 3.722 20 0 EHADRM [O-]c1cc(Cl)ccc1-c1nc(Cc2ccc3n[nH]cc3c2)no1 ZINC000800118546 1137898410 /nfs/dbraw/zinc/89/84/10/1137898410.db2.gz YOLFHSGZFPIIHA-UHFFFAOYSA-N -1 0 326.743 3.563 20 0 EHADRM O=C(OCc1ccc(Cl)nc1Cl)c1cc(F)c([O-])c(F)c1 ZINC000800177112 1137901027 /nfs/dbraw/zinc/90/10/27/1137901027.db2.gz GKLORJWPMHBVMC-UHFFFAOYSA-N -1 0 334.105 3.729 20 0 EHADRM CCCc1nc(=NC(=O)N2C[C@@H](C)C[C@H]2c2ccccc2F)s[n-]1 ZINC000331466605 1137909507 /nfs/dbraw/zinc/90/95/07/1137909507.db2.gz CBBFVZBCAYPHCQ-FZMZJTMJSA-N -1 0 348.447 3.667 20 0 EHADRM O=C(NC[C@@H]1CCOC2(CCC2)C1)c1c([O-])cc(Cl)cc1Cl ZINC000333116473 1137955867 /nfs/dbraw/zinc/95/58/67/1137955867.db2.gz UENYONMYXYMFPQ-SNVBAGLBSA-N -1 0 344.238 3.778 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2cccc3ncccc32)cc1C ZINC000134776967 1137960745 /nfs/dbraw/zinc/96/07/45/1137960745.db2.gz BKYBRKGLCOWLSB-UHFFFAOYSA-N -1 0 340.404 3.547 20 0 EHADRM CC1(C)C[C@@H](O)c2cccc(NC(=O)c3cc(F)cc(F)c3[O-])c2O1 ZINC000885665891 1138016896 /nfs/dbraw/zinc/01/68/96/1138016896.db2.gz FVWQEQPXPQJLEX-CQSZACIVSA-N -1 0 349.333 3.517 20 0 EHADRM O=C([O-])C[C@H]1CCCCN1c1nnc(-c2ccccc2Cl)s1 ZINC000886913447 1138172274 /nfs/dbraw/zinc/17/22/74/1138172274.db2.gz BWCUSFMAUAOBNN-SNVBAGLBSA-N -1 0 337.832 3.692 20 0 EHADRM CCc1cc(C)cc(CC)c1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000887293121 1138257357 /nfs/dbraw/zinc/25/73/57/1138257357.db2.gz SFDOVJIHQJJZDZ-TWMKSMIVSA-N -1 0 327.424 3.581 20 0 EHADRM CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000826565017 1138261315 /nfs/dbraw/zinc/26/13/15/1138261315.db2.gz KWXQIBXZWIGSGY-KYHPRHEASA-N -1 0 329.440 3.563 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2CCOC3(CCC3)C2)cc2ccccc21 ZINC000887328441 1138267574 /nfs/dbraw/zinc/26/75/74/1138267574.db2.gz XTYXNVADIJIISR-CQSZACIVSA-N -1 0 339.391 3.826 20 0 EHADRM O=C([O-])[C@H](CC1CC1)NC(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC000887382292 1138293919 /nfs/dbraw/zinc/29/39/19/1138293919.db2.gz CLZPHTWZEZTADP-NWDGAFQWSA-N -1 0 348.296 3.634 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1C(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC000887382437 1138294142 /nfs/dbraw/zinc/29/41/42/1138294142.db2.gz IARSZTIUTPZQJI-NWDGAFQWSA-N -1 0 348.296 3.731 20 0 EHADRM Cc1c(N=c2nc(C3CCCCC3)[n-]s2)cnn1C1CCOCC1 ZINC000333822432 1138335116 /nfs/dbraw/zinc/33/51/16/1138335116.db2.gz HVMBFMKUZGARCG-UHFFFAOYSA-N -1 0 347.488 3.608 20 0 EHADRM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3onc(C)c3C)c2)n1 ZINC000337144799 1138478823 /nfs/dbraw/zinc/47/88/23/1138478823.db2.gz WVVVRSQFTIYMRQ-UHFFFAOYSA-N -1 0 349.437 3.524 20 0 EHADRM Cc1ncc([N-]S(=O)(=O)c2ccc3ccccc3c2)c(C2CC2)n1 ZINC000337294268 1138522945 /nfs/dbraw/zinc/52/29/45/1138522945.db2.gz PHEZYGBQGWVQRB-UHFFFAOYSA-N -1 0 339.420 3.616 20 0 EHADRM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1cc(F)ccc1O ZINC000348451466 1138582793 /nfs/dbraw/zinc/58/27/93/1138582793.db2.gz RNJBYAZGGZABKA-UHFFFAOYSA-N -1 0 339.319 3.526 20 0 EHADRM CSCC(C)(C)C(=O)Nc1n[nH]c(-c2cc3ccccc3o2)n1 ZINC000337630394 1138627070 /nfs/dbraw/zinc/62/70/70/1138627070.db2.gz NSVPOEPXEISOQJ-UHFFFAOYSA-N -1 0 330.413 3.546 20 0 EHADRM O=C([O-])CN(C(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl)c1ccccc1 ZINC000337751447 1138659129 /nfs/dbraw/zinc/65/91/29/1138659129.db2.gz QFTGRGLXYCGVLI-OLZOCXBDSA-N -1 0 347.773 3.700 20 0 EHADRM Cc1ccccc1S([O-])=CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000133939548 1138664491 /nfs/dbraw/zinc/66/44/91/1138664491.db2.gz MISKPMLLADPDDI-LFVRLGFBSA-N -1 0 349.883 3.976 20 0 EHADRM CO[C@H](C)c1nc(=NCc2cccc(COC(C)(C)C)c2)s[n-]1 ZINC000337910804 1138696702 /nfs/dbraw/zinc/69/67/02/1138696702.db2.gz ILSGIQOBRYMPIA-GFCCVEGCSA-N -1 0 335.473 3.595 20 0 EHADRM O=C([O-])c1ccc2c(c1)nc(/C=C\c1cocn1)n2-c1ccccc1 ZINC000358675100 1139214641 /nfs/dbraw/zinc/21/46/41/1139214641.db2.gz BGYICPQJMNUMJL-CLFYSBASSA-N -1 0 331.331 3.882 20 0 EHADRM CCC(CC)c1nnc(NC(=O)c2cc(F)c([O-])c(F)c2)s1 ZINC000177021754 1139593334 /nfs/dbraw/zinc/59/33/34/1139593334.db2.gz YGSWMNWYNOCMAZ-UHFFFAOYSA-N -1 0 327.356 3.678 20 0 EHADRM O=C(CCc1nnc(C2CCCC2)o1)Nc1cccc(Cl)c1[O-] ZINC000177999605 1139661845 /nfs/dbraw/zinc/66/18/45/1139661845.db2.gz FIVCJPLJBHMJGS-UHFFFAOYSA-N -1 0 335.791 3.658 20 0 EHADRM C[C@H]1SCCN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)[C@@H]1c1ccccc1 ZINC000180126940 1139810817 /nfs/dbraw/zinc/81/08/17/1139810817.db2.gz CRVWMXFWZAQGRO-SIXLDLHFSA-N -1 0 347.480 3.583 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)C2(CC(C)C)CCC2)c1Cl ZINC000777356854 1139820491 /nfs/dbraw/zinc/82/04/91/1139820491.db2.gz YVKAJHIKKICPDZ-UHFFFAOYSA-N -1 0 343.876 3.670 20 0 EHADRM CC[C@H]1CN(C(=O)c2cc(C(=O)[O-])co2)CC[C@H]1c1ccccc1 ZINC000183815125 1140059989 /nfs/dbraw/zinc/05/99/89/1140059989.db2.gz HRQBPKZEDYLIGJ-XJKSGUPXSA-N -1 0 327.380 3.634 20 0 EHADRM CCSCc1cc(C(=O)[N-]c2nnc(C(CC)CC)s2)no1 ZINC000184749656 1140118635 /nfs/dbraw/zinc/11/86/35/1140118635.db2.gz ZAIYTWBJQNAMMC-UHFFFAOYSA-N -1 0 340.474 3.935 20 0 EHADRM O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)c1cc(F)c([O-])c(F)c1 ZINC000186697843 1140217075 /nfs/dbraw/zinc/21/70/75/1140217075.db2.gz UVNHZTPTUBSOCY-UGSOOPFHSA-N -1 0 347.361 3.568 20 0 EHADRM Cc1cccc(NC2CCN(C(=O)c3c([O-])cccc3F)CC2)c1 ZINC000187004340 1140231902 /nfs/dbraw/zinc/23/19/02/1140231902.db2.gz PGDALAJEAXHQEL-UHFFFAOYSA-N -1 0 328.387 3.556 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC(C(F)(F)F)CC1 ZINC000187368533 1140252441 /nfs/dbraw/zinc/25/24/41/1140252441.db2.gz KQNYEOFWIAWVEX-UHFFFAOYSA-N -1 0 325.689 3.599 20 0 EHADRM CCC[C@](C)(NC(=O)c1cc(-c2ccccn2)ccc1Cl)C(=O)[O-] ZINC000190708874 1140415490 /nfs/dbraw/zinc/41/54/90/1140415490.db2.gz OUJCSMLDRZELPO-SFHVURJKSA-N -1 0 346.814 3.775 20 0 EHADRM CCOC1CC(CCNC(=O)c2c([O-])cc(Cl)cc2Cl)C1 ZINC000191111272 1140437583 /nfs/dbraw/zinc/43/75/83/1140437583.db2.gz SVVSDPQHRASYRD-UHFFFAOYSA-N -1 0 332.227 3.634 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cc(F)ccc2C)cnn1C1CCCC1 ZINC000194225416 1140602595 /nfs/dbraw/zinc/60/25/95/1140602595.db2.gz MEUXACBSXTVFQC-UHFFFAOYSA-N -1 0 337.420 3.555 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cnn1C1CCCC1 ZINC000194229245 1140602711 /nfs/dbraw/zinc/60/27/11/1140602711.db2.gz LFJBXRKMFGPRKJ-UHFFFAOYSA-N -1 0 345.468 3.596 20 0 EHADRM O=C([O-])C1CCC(C(=O)NCc2ccc(Cl)cc2Cl)CC1 ZINC000194382034 1140606556 /nfs/dbraw/zinc/60/65/56/1140606556.db2.gz LKYILPNQFFKVAY-UHFFFAOYSA-N -1 0 330.211 3.501 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2cccc(Oc3ccccn3)c2)CC1 ZINC000194438727 1140609795 /nfs/dbraw/zinc/60/97/95/1140609795.db2.gz GFBLEVWPBQONMB-UHFFFAOYSA-N -1 0 340.379 3.703 20 0 EHADRM Cc1ncc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2C)s1 ZINC000269996004 1141165365 /nfs/dbraw/zinc/16/53/65/1141165365.db2.gz WJSJOXBHMVHOTJ-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM Cc1cc(NC(=O)C(=O)[N-]OC2CCCC2)ccc1-c1ccccc1 ZINC000273802386 1141422388 /nfs/dbraw/zinc/42/23/88/1141422388.db2.gz BFAYAVPSTZYOKT-UHFFFAOYSA-N -1 0 338.407 3.591 20 0 EHADRM COc1ccc(/C=C/c2nc(C(=O)[O-])c(C)s2)cc1OC(F)F ZINC000339114842 1141500968 /nfs/dbraw/zinc/50/09/68/1141500968.db2.gz RGAPFCYCFWYEPB-GQCTYLIASA-N -1 0 341.335 3.930 20 0 EHADRM Cc1cc(C)n(-c2cccc(NC(=O)c3s[n-]c(=O)c3Cl)c2)n1 ZINC000339233799 1141536753 /nfs/dbraw/zinc/53/67/53/1141536753.db2.gz GZBIZXDVOQGKQU-UHFFFAOYSA-N -1 0 348.815 3.557 20 0 EHADRM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1s[n-]c(=O)c1Cl ZINC000283227086 1141576073 /nfs/dbraw/zinc/57/60/73/1141576073.db2.gz BCUCUIGWPZHTEL-JMCQJSRRSA-N -1 0 340.807 3.695 20 0 EHADRM CCn1cc(S(=O)(=O)[N-]c2cccc(-c3cccs3)c2)nc1C ZINC000348867297 1141599329 /nfs/dbraw/zinc/59/93/29/1141599329.db2.gz QIFPHOZKMHTLCY-UHFFFAOYSA-N -1 0 347.465 3.741 20 0 EHADRM O=C([O-])c1c(NC(=O)Cc2cccs2)sc2c1CCCCC2 ZINC000020334860 212120148 /nfs/dbraw/zinc/12/01/48/212120148.db2.gz YPRAMIKCHMVAGP-UHFFFAOYSA-N -1 0 335.450 3.958 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)c1cc(F)ccc1Br ZINC000013261496 211539424 /nfs/dbraw/zinc/53/94/24/211539424.db2.gz KYUQWRBQKQNVHV-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000095750730 218447919 /nfs/dbraw/zinc/44/79/19/218447919.db2.gz OKTZVJHPFDWKCJ-NSHDSACASA-N -1 0 349.305 3.626 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2Cl)C1 ZINC000097045131 258068229 /nfs/dbraw/zinc/06/82/29/258068229.db2.gz RCKGLMJLSQQWLG-VHDGCEQUSA-N -1 0 335.831 3.547 20 0 EHADRM C[C@H](NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)c1c(F)cccc1F ZINC000298816375 524986635 /nfs/dbraw/zinc/98/66/35/524986635.db2.gz LVYOPJCZKDGWOA-BUXKBTBVSA-N -1 0 347.361 3.575 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(Cc2ccc(Br)cc2F)CC1 ZINC000299746442 564150637 /nfs/dbraw/zinc/15/06/37/564150637.db2.gz XKGGZKOIBVMMGW-LLVKDONJSA-N -1 0 344.224 3.665 20 0 EHADRM Cc1c(CSC(C)C)cccc1NC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000263084593 596913014 /nfs/dbraw/zinc/91/30/14/596913014.db2.gz RRIKLOWQNQHTEY-CYBMUJFWSA-N -1 0 336.457 3.575 20 0 EHADRM C[C@H](c1ccco1)N(C(=O)Nc1cccc(CC(=O)[O-])c1)C1CC1 ZINC000818070873 596959362 /nfs/dbraw/zinc/95/93/62/596959362.db2.gz AKRBTGYWMZSYQG-GFCCVEGCSA-N -1 0 328.368 3.664 20 0 EHADRM C[C@@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)[O-] ZINC000000411989 597049295 /nfs/dbraw/zinc/04/92/95/597049295.db2.gz RRAQJMZXMIOMPV-GFCCVEGCSA-N -1 0 337.404 3.771 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)c2cc3c(ccc4ccccc34)[nH]2)C1 ZINC000819370678 597094875 /nfs/dbraw/zinc/09/48/75/597094875.db2.gz HYQKTDNIJPKGPG-CYBMUJFWSA-N -1 0 336.391 3.648 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)c2sc3ccccc3c2Cl)C1 ZINC000315044151 597103500 /nfs/dbraw/zinc/10/35/00/597103500.db2.gz LIDCCIQLPWAMBN-SNVBAGLBSA-N -1 0 337.828 3.882 20 0 EHADRM Cc1cc(OC(C)C)ccc1NC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000574666553 597118626 /nfs/dbraw/zinc/11/86/26/597118626.db2.gz NWLUTIOKEYOPBS-CQSZACIVSA-N -1 0 334.416 3.501 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000818140533 597192787 /nfs/dbraw/zinc/19/27/87/597192787.db2.gz GKKGKKDBSQLIJM-SFHVURJKSA-N -1 0 340.423 3.799 20 0 EHADRM COc1ccc(C)cc1[C@@H](C)NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000738092528 597197771 /nfs/dbraw/zinc/19/77/71/597197771.db2.gz KGWQFXWKJXKQGJ-CYBMUJFWSA-N -1 0 342.395 3.513 20 0 EHADRM COc1ccc(C)cc1[C@H](C)NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000738092532 597197926 /nfs/dbraw/zinc/19/79/26/597197926.db2.gz KGWQFXWKJXKQGJ-ZDUSSCGKSA-N -1 0 342.395 3.513 20 0 EHADRM CCN(Cc1ccccc1C)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737851819 597198022 /nfs/dbraw/zinc/19/80/22/597198022.db2.gz PJLRKQZYDNWOCQ-UHFFFAOYSA-N -1 0 326.396 3.676 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N2CCC3(CCCCC3)CC2)c1 ZINC000325692403 597203676 /nfs/dbraw/zinc/20/36/76/597203676.db2.gz JEZLVFCPIGMMIS-UHFFFAOYSA-N -1 0 330.428 3.892 20 0 EHADRM C[C@@H](c1c(F)cccc1F)N(C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000818071726 597231057 /nfs/dbraw/zinc/23/10/57/597231057.db2.gz WSUMMYVRHYQOEK-NSHDSACASA-N -1 0 348.349 3.566 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)Nc2cc(C(F)F)ccc2Cl)C1 ZINC000574861643 597264643 /nfs/dbraw/zinc/26/46/43/597264643.db2.gz RMFUADDUNBBDPH-SECBINFHSA-N -1 0 346.761 3.996 20 0 EHADRM O=C([O-])CCCNC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000020200151 597280585 /nfs/dbraw/zinc/28/05/85/597280585.db2.gz QLHDKCGCEFKDDD-QGZVFWFLSA-N -1 0 329.421 3.501 20 0 EHADRM O=C([O-])c1ccc(CSc2nnc(-c3ccc(F)cc3)o2)cc1 ZINC000000421867 597299563 /nfs/dbraw/zinc/29/95/63/597299563.db2.gz QQJVLUPXLFNJDH-UHFFFAOYSA-N -1 0 330.340 3.866 20 0 EHADRM CC[C@H](Cc1ccccc1)N(C)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818140868 597327927 /nfs/dbraw/zinc/32/79/27/597327927.db2.gz QXYKISBTQBDADG-QGZVFWFLSA-N -1 0 340.423 3.799 20 0 EHADRM CCCN(Cc1ccc(F)cc1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818176283 597328032 /nfs/dbraw/zinc/32/80/32/597328032.db2.gz ASWGKGRYTJBRHE-UHFFFAOYSA-N -1 0 344.386 3.897 20 0 EHADRM Cc1ccc([C@@H](C)N(C)C(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000818879236 597342087 /nfs/dbraw/zinc/34/20/87/597342087.db2.gz QLYOBUYSLKVUDY-CQSZACIVSA-N -1 0 326.396 3.847 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)NC1(c2cccc(Cl)c2)CC1 ZINC000819608824 597344191 /nfs/dbraw/zinc/34/41/91/597344191.db2.gz CNRPLDZDOBCFFQ-UHFFFAOYSA-N -1 0 344.798 3.778 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)CCCc1cc(F)ccc1F ZINC000821539980 597468054 /nfs/dbraw/zinc/46/80/54/597468054.db2.gz VMMGFIPHSOKSJU-UHFFFAOYSA-N -1 0 333.334 3.553 20 0 EHADRM Cc1coc(-c2cc(NC(=O)N[C@H](CC(C)C)C(=O)[O-])ccc2C)n1 ZINC000568010237 597511350 /nfs/dbraw/zinc/51/13/50/597511350.db2.gz RBEQGQCVPAATAA-OAHLLOKOSA-N -1 0 345.399 3.579 20 0 EHADRM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000820228582 597651520 /nfs/dbraw/zinc/65/15/20/597651520.db2.gz PTVFIYSKYVSXMG-ZYHUDNBSSA-N -1 0 344.333 3.508 20 0 EHADRM Cc1ccc(C)c([C@@H](C)N(C)C(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC000414632466 598141364 /nfs/dbraw/zinc/14/13/64/598141364.db2.gz XXURTYUALFQGQI-QQFBHYJXSA-N -1 0 332.444 3.649 20 0 EHADRM Cc1cc(Oc2ncccn2)ccc1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000357429557 598155283 /nfs/dbraw/zinc/15/52/83/598155283.db2.gz YJINMNPYJFFDDY-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM O=C([O-])Cc1cccc(NCc2c(C3CC3)nc3sccn23)c1 ZINC000516631995 598172611 /nfs/dbraw/zinc/17/26/11/598172611.db2.gz ISJYIKNAYDXFMN-UHFFFAOYSA-N -1 0 327.409 3.512 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)NCCCSc1ccccc1 ZINC000740045169 599707983 /nfs/dbraw/zinc/70/79/83/599707983.db2.gz DIXLNPLGNVZXCI-UHFFFAOYSA-N -1 0 330.409 3.689 20 0 EHADRM CCCC[C@H](Sc1nnnn1-c1ccc(C(C)C)cc1)C(=O)[O-] ZINC000736984418 599710009 /nfs/dbraw/zinc/71/00/09/599710009.db2.gz HNRTVOWRPXSJGK-AWEZNQCLSA-N -1 0 334.445 3.521 20 0 EHADRM C[C@H](c1ccccn1)N(C)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736723400 599713464 /nfs/dbraw/zinc/71/34/64/599713464.db2.gz FTCOAWYPINXFID-SNVBAGLBSA-N -1 0 332.335 3.536 20 0 EHADRM CCCN(Cc1cc(C(=O)[O-])c(C)o1)[C@H](C)C(=O)Nc1ccccc1 ZINC000737020367 599714511 /nfs/dbraw/zinc/71/45/11/599714511.db2.gz WNGBLAZXEWKCOQ-CYBMUJFWSA-N -1 0 344.411 3.525 20 0 EHADRM CCN(C(=O)CCCNC(=O)[O-])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000737053307 599718428 /nfs/dbraw/zinc/71/84/28/599718428.db2.gz QNCALOFGWUJKMR-NSHDSACASA-N -1 0 346.349 3.663 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N[C@@H]2C[C@@H]2c2ccccc2)ccc1F ZINC000740004767 599718701 /nfs/dbraw/zinc/71/87/01/599718701.db2.gz FKLDXXWPSJMULQ-TZMCWYRMSA-N -1 0 329.331 3.593 20 0 EHADRM CCCN(C(=O)CCNC(=O)[O-])[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000737009073 599723046 /nfs/dbraw/zinc/72/30/46/599723046.db2.gz NKFLNVLZAOXCPJ-JTQLQIEISA-N -1 0 347.242 3.951 20 0 EHADRM O=C([O-])NCCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000739951313 599725087 /nfs/dbraw/zinc/72/50/87/599725087.db2.gz WLBASCVEBQAMTL-UHFFFAOYSA-N -1 0 345.226 3.532 20 0 EHADRM O=C([O-])NCCCC(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000739962518 599725412 /nfs/dbraw/zinc/72/54/12/599725412.db2.gz ZEKIBOBWUYANQN-UHFFFAOYSA-N -1 0 332.331 3.604 20 0 EHADRM COc1ccc([C@H](C)C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000737951434 599731456 /nfs/dbraw/zinc/73/14/56/599731456.db2.gz VFBCWRBCWHJNGP-JTQLQIEISA-N -1 0 332.331 3.666 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3)C(=O)[O-] ZINC000737238507 599742457 /nfs/dbraw/zinc/74/24/57/599742457.db2.gz SNWPREFHJOPBJS-PZROIBLQSA-N -1 0 342.439 3.522 20 0 EHADRM O=C([O-])c1cc(NC(=S)NCCc2cccs2)ccc1Cl ZINC000738672172 599743684 /nfs/dbraw/zinc/74/36/84/599743684.db2.gz KUJGBHZSLLPGED-UHFFFAOYSA-N -1 0 340.857 3.629 20 0 EHADRM Cc1sc(NC(=S)NCCc2cccs2)c(C(=O)[O-])c1C ZINC000738397372 599743761 /nfs/dbraw/zinc/74/37/61/599743761.db2.gz CCWZSSHAPIWGKR-UHFFFAOYSA-N -1 0 340.495 3.654 20 0 EHADRM CCc1ccc([C@H](C)C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)cc1 ZINC000236973953 599748090 /nfs/dbraw/zinc/74/80/90/599748090.db2.gz PYMADUYKZHSVTN-NSHDSACASA-N -1 0 337.379 3.566 20 0 EHADRM CN(CCC1CCCCC1)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000737415587 599756481 /nfs/dbraw/zinc/75/64/81/599756481.db2.gz SBQSHGPSLFYMBM-UHFFFAOYSA-N -1 0 334.416 3.584 20 0 EHADRM CCCc1cc(C(=O)N[C@H](C(=O)[O-])c2ccc(OC)cc2)sc1C ZINC000345860040 599757507 /nfs/dbraw/zinc/75/75/07/599757507.db2.gz RFUBTTIMOLEWNL-INIZCTEOSA-N -1 0 347.436 3.573 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000238026661 599766176 /nfs/dbraw/zinc/76/61/76/599766176.db2.gz KYOGURCKAWMGSY-UHFFFAOYSA-N -1 0 327.380 3.502 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2ccc(OCC3CC3)cc2)cc1 ZINC000238055279 599771368 /nfs/dbraw/zinc/77/13/68/599771368.db2.gz RQNOGBDAIGJIMW-UHFFFAOYSA-N -1 0 339.391 3.745 20 0 EHADRM CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000736904415 599781229 /nfs/dbraw/zinc/78/12/29/599781229.db2.gz AAOKOTAJFOTANF-INIZCTEOSA-N -1 0 326.396 3.836 20 0 EHADRM CCc1ccc(CC)c(C(=O)COC(=O)c2ccccc2C(=O)[O-])c1 ZINC000737260664 599786864 /nfs/dbraw/zinc/78/68/64/599786864.db2.gz WASLREHSULEGGZ-UHFFFAOYSA-N -1 0 340.375 3.549 20 0 EHADRM COc1ccc2cc(/C=C/C(=O)NCCCCCC(=O)[O-])ccc2c1 ZINC000738080060 599794605 /nfs/dbraw/zinc/79/46/05/599794605.db2.gz VIILATZTXBZOAK-YRNVUSSQSA-N -1 0 341.407 3.623 20 0 EHADRM C[C@H](c1ccc(C(=O)[O-])o1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000736718614 599795850 /nfs/dbraw/zinc/79/58/50/599795850.db2.gz RRMZATQAUMENNF-SNVBAGLBSA-N -1 0 328.343 3.718 20 0 EHADRM O=C([O-])[C@H](c1ccc(F)cc1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000739514699 599796211 /nfs/dbraw/zinc/79/62/11/599796211.db2.gz FSYDKYCLXDEEGW-SFHVURJKSA-N -1 0 342.345 3.630 20 0 EHADRM O=C([O-])c1ccc(C(=O)O[C@H](c2ccccc2)c2ccccn2)s1 ZINC000740120715 599799125 /nfs/dbraw/zinc/79/91/25/599799125.db2.gz KGAJERJAMWRTSL-MRXNPFEDSA-N -1 0 339.372 3.788 20 0 EHADRM COc1ccc(C=Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc1C ZINC000737982202 599801965 /nfs/dbraw/zinc/80/19/65/599801965.db2.gz JGBQWXHKDXLYGR-XBXARRHUSA-N -1 0 336.347 3.521 20 0 EHADRM C[C@H](Cc1nnc(SCc2cc(C(=O)[O-])co2)o1)c1ccccc1 ZINC000736630504 599802746 /nfs/dbraw/zinc/80/27/46/599802746.db2.gz XNTWUZOGVMZSFP-LLVKDONJSA-N -1 0 344.392 3.999 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000740227400 599806116 /nfs/dbraw/zinc/80/61/16/599806116.db2.gz FLSXSFWJUSNKPI-CQSZACIVSA-N -1 0 328.343 3.545 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1csc(C(C)C)n1 ZINC000737879820 599809793 /nfs/dbraw/zinc/80/97/93/599809793.db2.gz VIANFBWQKGGXMK-ALCCZGGFSA-N -1 0 347.392 3.592 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)C[C@@H]2CCCc3ccccc32)c1 ZINC000238145701 599811733 /nfs/dbraw/zinc/81/17/33/599811733.db2.gz CTHRIOVRVTXYFK-ZDUSSCGKSA-N -1 0 327.355 3.973 20 0 EHADRM Cc1cc(C(=O)NCCCCC(=O)[O-])sc1-c1ccc(F)cc1 ZINC000237584962 599817571 /nfs/dbraw/zinc/81/75/71/599817571.db2.gz PLLAQIXCOMNTJA-UHFFFAOYSA-N -1 0 335.400 3.847 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)[C@H](NC(=O)[O-])C(C)C)cc2s1 ZINC000736524718 599821212 /nfs/dbraw/zinc/82/12/12/599821212.db2.gz OVWPUMSPCUBFDJ-CYBMUJFWSA-N -1 0 335.429 3.650 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)cc1 ZINC000739758393 599825088 /nfs/dbraw/zinc/82/50/88/599825088.db2.gz ALQRYMOETYACHH-DLBZAZTESA-N -1 0 342.370 3.521 20 0 EHADRM CN(C(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(C)(C)C(=O)[O-] ZINC000737339136 599828284 /nfs/dbraw/zinc/82/82/84/599828284.db2.gz REACHVZWIQQFPN-UHFFFAOYSA-N -1 0 331.343 3.553 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1cc(F)ccc1F ZINC000736648601 599829562 /nfs/dbraw/zinc/82/95/62/599829562.db2.gz GSFDLWKGGJURFB-LLVKDONJSA-N -1 0 348.349 3.865 20 0 EHADRM COc1cccc(-c2nc(/C=C(/C(=O)[O-])c3ccncc3)cs2)c1 ZINC000738078259 599831395 /nfs/dbraw/zinc/83/13/95/599831395.db2.gz BONQDQIQYWRUKI-MHWRWJLKSA-N -1 0 338.388 3.839 20 0 EHADRM C[C@H](CC(=O)N(CC(=O)[O-])Cc1ccc(F)c(F)c1)CC(C)(C)C ZINC000736544735 599832391 /nfs/dbraw/zinc/83/23/91/599832391.db2.gz KLEHIBCSTSCNDS-GFCCVEGCSA-N -1 0 341.398 3.840 20 0 EHADRM Cc1cc(O[C@@H](C)C(=O)N(C)c2ccccc2C(=O)[O-])ccc1Cl ZINC000738465188 599838389 /nfs/dbraw/zinc/83/83/89/599838389.db2.gz RUMAYIFERZEVGN-LBPRGKRZSA-N -1 0 347.798 3.777 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)c1cnc(C3CC3)s1)CCC2 ZINC000739489827 599839535 /nfs/dbraw/zinc/83/95/35/599839535.db2.gz JQAPFPIVLOOGNW-UHFFFAOYSA-N -1 0 334.422 3.521 20 0 EHADRM Cc1cc(C)cc(OCCC(=O)Nc2cccc(F)c2C(=O)[O-])c1 ZINC000392142197 599845052 /nfs/dbraw/zinc/84/50/52/599845052.db2.gz URLRFLNIMRMZPV-UHFFFAOYSA-N -1 0 331.343 3.548 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2sccc2C)cc1 ZINC000237364277 599849063 /nfs/dbraw/zinc/84/90/63/599849063.db2.gz XJHGKSPQXBFYBM-ZDUSSCGKSA-N -1 0 335.450 3.724 20 0 EHADRM CCc1[nH]c(C(=O)NC(C)(C)Cc2ccccc2C)c(C)c1C(=O)[O-] ZINC000737239954 599850079 /nfs/dbraw/zinc/85/00/79/599850079.db2.gz GFNMIHYQGJDYIG-UHFFFAOYSA-N -1 0 342.439 3.643 20 0 EHADRM Cc1cccc(C2(NC(=O)c3ccc(C(=O)[O-])s3)CCCC2)c1 ZINC000738687733 599851139 /nfs/dbraw/zinc/85/11/39/599851139.db2.gz SJZGBCSTDNZDGT-UHFFFAOYSA-N -1 0 329.421 3.954 20 0 EHADRM O=C([O-])c1ccc(Cl)cc1OCc1ccn(-c2cccc(F)c2)n1 ZINC000740136836 599856657 /nfs/dbraw/zinc/85/66/57/599856657.db2.gz YXXNZPJHXHQHTB-UHFFFAOYSA-N -1 0 346.745 3.942 20 0 EHADRM C/C(=C\C(=O)N[C@H](Cc1ccccc1)C(=O)[O-])c1ccccc1Cl ZINC000736119704 599862059 /nfs/dbraw/zinc/86/20/59/599862059.db2.gz BMUBKAOEUDIMEM-MLFXKNMZSA-N -1 0 343.810 3.555 20 0 EHADRM Cc1ccc(C(=O)NCc2c3ccccc3sc2C(=O)[O-])c(C)n1 ZINC000738514369 599869999 /nfs/dbraw/zinc/86/99/99/599869999.db2.gz DKEMIEHTUMXHDA-UHFFFAOYSA-N -1 0 340.404 3.541 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)OCCCC(=O)c1ccccc1 ZINC000740055756 599871318 /nfs/dbraw/zinc/87/13/18/599871318.db2.gz IPOZLRLJANJTCK-UHFFFAOYSA-N -1 0 327.336 3.596 20 0 EHADRM Cc1ccc(C(=O)NCc2c3ccccc3sc2C(=O)[O-])cc1F ZINC000676018510 599871944 /nfs/dbraw/zinc/87/19/44/599871944.db2.gz JWRPMDVTTBLQSS-UHFFFAOYSA-N -1 0 343.379 3.977 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)c1cc(F)cc(F)c1 ZINC000676019060 599872244 /nfs/dbraw/zinc/87/22/44/599872244.db2.gz SLDJYJPZUFKQEZ-UHFFFAOYSA-N -1 0 347.342 3.808 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)C[C@H]1CCCc2ccccc21 ZINC000738964209 599877712 /nfs/dbraw/zinc/87/77/12/599877712.db2.gz QVFDFWOJBFDSAH-CQSZACIVSA-N -1 0 328.364 3.840 20 0 EHADRM Cc1cccc(COc2ccc(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])c(C)c2)c1 ZINC000262568866 599885671 /nfs/dbraw/zinc/88/56/71/599885671.db2.gz BZQPYWRVNHZFRP-SJORKVTESA-N -1 0 339.391 3.542 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)N2CCC3(CCCCC3)CC2)cc1 ZINC000327643953 599890305 /nfs/dbraw/zinc/89/03/05/599890305.db2.gz TUXWCXIWXMDLRN-UHFFFAOYSA-N -1 0 346.427 3.728 20 0 EHADRM Cc1c(NC(=O)NCCc2csc(C(C)C)n2)cccc1C(=O)[O-] ZINC000738306650 599891749 /nfs/dbraw/zinc/89/17/49/599891749.db2.gz YFFXKDPOSTZXLC-UHFFFAOYSA-N -1 0 347.440 3.637 20 0 EHADRM Cc1cc(NC(=S)Nc2ccc3c(c2)CCC3)ccc1C(=O)[O-] ZINC000738452188 599891924 /nfs/dbraw/zinc/89/19/24/599891924.db2.gz KPSQFIHOZLMPLC-UHFFFAOYSA-N -1 0 326.421 3.991 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000740032530 599893434 /nfs/dbraw/zinc/89/34/34/599893434.db2.gz BDCNTJMKBSGDRN-UHFFFAOYSA-N -1 0 340.257 3.927 20 0 EHADRM Cc1ccc2nc(NC(=O)c3cccc(NC(=O)[O-])c3)sc2c1 ZINC000738677851 599893564 /nfs/dbraw/zinc/89/35/64/599893564.db2.gz XOSPBOPRNJZAHG-UHFFFAOYSA-N -1 0 327.365 3.947 20 0 EHADRM O=C([O-])C1(NC(=O)C[C@H](c2ccccc2)C(F)(F)F)CCCCC1 ZINC000238085380 599899384 /nfs/dbraw/zinc/89/93/84/599899384.db2.gz NHKYOWUWTPNFRZ-CYBMUJFWSA-N -1 0 343.345 3.626 20 0 EHADRM CC(C)[C@@H](CC(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000236670836 599899674 /nfs/dbraw/zinc/89/96/74/599899674.db2.gz VNRVBGAIJAYJTD-LJQANCHMSA-N -1 0 339.435 3.873 20 0 EHADRM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736717186 599899878 /nfs/dbraw/zinc/89/98/78/599899878.db2.gz LWHCXFQGBHKIHE-SNVBAGLBSA-N -1 0 334.322 3.888 20 0 EHADRM Cc1oc(CSCc2ccc(-n3cccn3)cc2)cc1C(=O)[O-] ZINC000738976519 599900770 /nfs/dbraw/zinc/90/07/70/599900770.db2.gz SWVFJMJRZFLSOK-UHFFFAOYSA-N -1 0 328.393 3.905 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2nc(C(F)(F)F)cs2)c1 ZINC000740037621 599904546 /nfs/dbraw/zinc/90/45/46/599904546.db2.gz WZGGOIRVCPTGER-UHFFFAOYSA-N -1 0 331.275 3.504 20 0 EHADRM CCCOCc1ccccc1CNC(=O)c1cccc(NC(=O)[O-])c1 ZINC000737027406 599906473 /nfs/dbraw/zinc/90/64/73/599906473.db2.gz CFUJQKMECQPTJK-UHFFFAOYSA-N -1 0 342.395 3.633 20 0 EHADRM O=C([O-])CCCCCNC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000238153708 599908869 /nfs/dbraw/zinc/90/88/69/599908869.db2.gz SAUOYKQWVDRIFG-ROUUACIJSA-N -1 0 325.408 3.705 20 0 EHADRM CC(C)[C@H](CC(=O)N[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000236646833 599910751 /nfs/dbraw/zinc/91/07/51/599910751.db2.gz HTXNRFZSUWXCGE-PKOBYXMFSA-N -1 0 325.408 3.758 20 0 EHADRM C[C@@H](CC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1ccccc1F ZINC000736549225 599913080 /nfs/dbraw/zinc/91/30/80/599913080.db2.gz UKEBKROLPFYJAY-VIFPVBQESA-N -1 0 337.297 3.934 20 0 EHADRM C[C@H](CC(=O)N1CCc2cc(C(=O)[O-])ccc21)c1ccccc1F ZINC000736540705 599913090 /nfs/dbraw/zinc/91/30/90/599913090.db2.gz DFJDSTXICKROCH-GFCCVEGCSA-N -1 0 327.355 3.607 20 0 EHADRM C[C@H](CC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1ccccc1F ZINC000736549223 599913103 /nfs/dbraw/zinc/91/31/03/599913103.db2.gz UKEBKROLPFYJAY-SECBINFHSA-N -1 0 337.297 3.934 20 0 EHADRM C[C@H](NC(=O)c1cccc(NC(=O)[O-])c1)C(C)(C)c1ccccc1 ZINC000736658249 599913269 /nfs/dbraw/zinc/91/32/69/599913269.db2.gz HKNACAJKYMWYPZ-ZDUSSCGKSA-N -1 0 326.396 3.873 20 0 EHADRM Cc1cc(NC(=O)c2ccc(-c3ccco3)nc2C)ccc1C(=O)[O-] ZINC000237835606 599915266 /nfs/dbraw/zinc/91/52/66/599915266.db2.gz OGNXAXPJGAMAHF-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM Cc1cc(NC(=O)/C=C\c2ccc3ccccc3n2)ccc1C(=O)[O-] ZINC000738424433 599918371 /nfs/dbraw/zinc/91/83/71/599918371.db2.gz DVAHQCXVYOTYOS-LUAWRHEFSA-N -1 0 332.359 3.893 20 0 EHADRM CN(C(=O)c1cccc(C(=O)[O-])c1)c1cccc(OC(F)(F)F)c1 ZINC000557966514 599919087 /nfs/dbraw/zinc/91/90/87/599919087.db2.gz NRYFCGSSZYRBOE-UHFFFAOYSA-N -1 0 339.269 3.560 20 0 EHADRM Cc1cccc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)c1C ZINC000237612291 599921945 /nfs/dbraw/zinc/92/19/45/599921945.db2.gz RIKVVXQKMYPTGS-UHFFFAOYSA-N -1 0 329.421 3.874 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)/C=C\c2cccs2)c1 ZINC000739871285 599922929 /nfs/dbraw/zinc/92/29/29/599922929.db2.gz AQGZFNRQFHUKKB-SREVYHEPSA-N -1 0 333.434 3.718 20 0 EHADRM O=C([O-])c1ccc(OCCNc2ncnc3c4ccccc4oc32)cc1 ZINC000740167940 599923535 /nfs/dbraw/zinc/92/35/35/599923535.db2.gz NCPVDVNQYXKSIX-UHFFFAOYSA-N -1 0 349.346 3.565 20 0 EHADRM Cc1cc(NS(=O)(=O)c2ccc(C(C)C)cc2)ccc1C(=O)[O-] ZINC000321486455 599926200 /nfs/dbraw/zinc/92/62/00/599926200.db2.gz RWKZRDRQXVNRGN-UHFFFAOYSA-N -1 0 333.409 3.617 20 0 EHADRM Cc1ccc(S[C@@H](C(=O)N[C@@H](C)C(=O)[O-])c2ccccc2)c(C)c1 ZINC000237510729 599927997 /nfs/dbraw/zinc/92/79/97/599927997.db2.gz SGASAZRCBSTUIX-WMLDXEAASA-N -1 0 343.448 3.726 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)N(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000736929715 599928914 /nfs/dbraw/zinc/92/89/14/599928914.db2.gz SYOVMXBWUPNEIO-RHSMWYFYSA-N -1 0 347.455 3.679 20 0 EHADRM CCCCN(Cc1ccccc1Cl)C(=O)c1cccc(C(=O)[O-])n1 ZINC000362489035 599932064 /nfs/dbraw/zinc/93/20/64/599932064.db2.gz NATNQFQHLAMAFT-UHFFFAOYSA-N -1 0 346.814 3.876 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)c1 ZINC000740026935 599932767 /nfs/dbraw/zinc/93/27/67/599932767.db2.gz GDLZFHLZOMMIOK-QGZVFWFLSA-N -1 0 342.370 3.763 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)CCCc1ccccc1)c1ccccc1 ZINC000193453502 599933039 /nfs/dbraw/zinc/93/30/39/599933039.db2.gz ACIHMQMVCYRKHS-SFHVURJKSA-N -1 0 325.408 3.732 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)CCCc1ccccc1)c1ccccc1 ZINC000193453514 599933088 /nfs/dbraw/zinc/93/30/88/599933088.db2.gz ACIHMQMVCYRKHS-GOSISDBHSA-N -1 0 325.408 3.732 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)CCc1cccc(Cl)c1)c1ccccc1 ZINC000139375916 599934075 /nfs/dbraw/zinc/93/40/75/599934075.db2.gz LZDSZEUOOSKTAR-KRWDZBQOSA-N -1 0 345.826 3.995 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC000193451066 599935203 /nfs/dbraw/zinc/93/52/03/599935203.db2.gz ALWUNTSFWQOFKT-HNNXBMFYSA-N -1 0 335.762 3.815 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC000193451048 599935229 /nfs/dbraw/zinc/93/52/29/599935229.db2.gz ALWUNTSFWQOFKT-OAHLLOKOSA-N -1 0 335.762 3.815 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](CCC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000139303822 599936547 /nfs/dbraw/zinc/93/65/47/599936547.db2.gz ZTCXFWYCSPLTKO-YJBOKZPZSA-N -1 0 325.408 3.903 20 0 EHADRM CC(C)Oc1ccc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000327154037 599936937 /nfs/dbraw/zinc/93/69/37/599936937.db2.gz VNMOTVCKBKAIEF-SFHVURJKSA-N -1 0 341.407 3.810 20 0 EHADRM O=C([O-])c1sc2ccccc2c1COC(=O)COC1CCCC1 ZINC000739322932 599944716 /nfs/dbraw/zinc/94/47/16/599944716.db2.gz WWNGFEAZPJWFHX-UHFFFAOYSA-N -1 0 334.393 3.602 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@H](C)c1csc2ccccc21 ZINC000736422980 599950953 /nfs/dbraw/zinc/95/09/53/599950953.db2.gz RSTRUXVJZVABJS-RISCZKNCSA-N -1 0 334.441 3.761 20 0 EHADRM CC[C@@H](C)N(Cc1ccccc1)C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000736884449 599957999 /nfs/dbraw/zinc/95/79/99/599957999.db2.gz RNKVZHHEPFFQRL-GFCCVEGCSA-N -1 0 347.440 3.603 20 0 EHADRM CC(C)c1ccc(CN(C(=O)CCSCC(=O)[O-])C2CC2)cc1 ZINC000736514087 599960647 /nfs/dbraw/zinc/96/06/47/599960647.db2.gz LGRFWNAPDNUNGZ-UHFFFAOYSA-N -1 0 335.469 3.509 20 0 EHADRM Cc1cc(NCC(=O)Nc2cccc(C(C)C)c2)ccc1C(=O)[O-] ZINC000738458364 599961229 /nfs/dbraw/zinc/96/12/29/599961229.db2.gz GKNMUWZBGCPMSC-UHFFFAOYSA-N -1 0 326.396 3.867 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccccc2C(=O)c2ccccc2)cc1 ZINC000003059781 599992733 /nfs/dbraw/zinc/99/27/33/599992733.db2.gz NDOPGGZQPDFGOR-UHFFFAOYSA-N -1 0 345.354 3.868 20 0 EHADRM Cc1cccc(C)c1NC(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000738694977 599993881 /nfs/dbraw/zinc/99/38/81/599993881.db2.gz DLBYIJKBNIWJOV-OAHLLOKOSA-N -1 0 344.386 3.508 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000737331004 599993901 /nfs/dbraw/zinc/99/39/01/599993901.db2.gz GYQKXUYSUHCVKM-KGLIPLIRSA-N -1 0 346.333 3.821 20 0 EHADRM CCOc1ccc(CNC(=O)Nc2cccc(C(=O)[O-])c2C)cc1F ZINC000737202562 599994920 /nfs/dbraw/zinc/99/49/20/599994920.db2.gz GRKKKRATPWDTNI-UHFFFAOYSA-N -1 0 346.358 3.553 20 0 EHADRM Cc1[nH]c(C(=O)[C@H](C)Nc2cccc3c2ccn3C)c(C)c1C(=O)[O-] ZINC000738236809 599995845 /nfs/dbraw/zinc/99/58/45/599995845.db2.gz OYPZRQZTKPBDOC-LBPRGKRZSA-N -1 0 339.395 3.505 20 0 EHADRM Cc1nc2sc3c(c2c(Oc2cccc(CC(=O)[O-])c2)n1)CCC3 ZINC000738865582 600012380 /nfs/dbraw/zinc/01/23/80/600012380.db2.gz WPGHECAAGWXSEG-UHFFFAOYSA-N -1 0 340.404 3.908 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)c2sc3cc(F)ccc3c2Cl)C1 ZINC000317121883 600013373 /nfs/dbraw/zinc/01/33/73/600013373.db2.gz HJKGCJFNJGPNAR-MRVPVSSYSA-N -1 0 341.791 3.631 20 0 EHADRM O=C([O-])C1CCC(NC(=O)NC2CCC(c3ccccc3)CC2)CC1 ZINC000263064128 600015579 /nfs/dbraw/zinc/01/55/79/600015579.db2.gz SJVRFBDCWYTVNZ-UHFFFAOYSA-N -1 0 344.455 3.655 20 0 EHADRM COc1ccc(F)cc1[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000738017837 600015646 /nfs/dbraw/zinc/01/56/46/600015646.db2.gz OVPDZNJQEHQBAY-NSHDSACASA-N -1 0 346.358 3.724 20 0 EHADRM Cc1ccccc1C1CCN(C(=O)NCCCCCC(=O)[O-])CC1 ZINC000414626819 600016878 /nfs/dbraw/zinc/01/68/78/600016878.db2.gz MJQYPZVXEFKHPC-UHFFFAOYSA-N -1 0 332.444 3.529 20 0 EHADRM Cc1cc(NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)ccc1C(=O)[O-] ZINC000738443817 600017063 /nfs/dbraw/zinc/01/70/63/600017063.db2.gz YWZOIGYMBCHXHP-WDEREUQCSA-N -1 0 344.333 3.936 20 0 EHADRM Cc1cc(NC(=O)N(C)Cc2ccc(F)c(F)c2)ccc1C(=O)[O-] ZINC000738438543 600017724 /nfs/dbraw/zinc/01/77/24/600017724.db2.gz YJOUARFGXGBKHE-UHFFFAOYSA-N -1 0 334.322 3.635 20 0 EHADRM Cc1cc(NC(=O)N[C@H](C)c2ccc(F)c(F)c2)ccc1C(=O)[O-] ZINC000738440274 600017975 /nfs/dbraw/zinc/01/79/75/600017975.db2.gz HEIWVNDJWOOFPQ-SNVBAGLBSA-N -1 0 334.322 3.854 20 0 EHADRM Cc1cc(NC(=O)N(Cc2cccs2)C2CC2)ccc1C(=O)[O-] ZINC000321466516 600018408 /nfs/dbraw/zinc/01/84/08/600018408.db2.gz PQFKIIZBZWTJND-UHFFFAOYSA-N -1 0 330.409 3.951 20 0 EHADRM C[C@@H]1CCC[C@@H](NC(=O)Nc2cccc(CSCC(=O)[O-])c2)C1 ZINC000736774842 600018443 /nfs/dbraw/zinc/01/84/43/600018443.db2.gz JCZDFGRQOBXGPI-TZMCWYRMSA-N -1 0 336.457 3.705 20 0 EHADRM CCCC[C@H]1CCC[C@H]1NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736985425 600023989 /nfs/dbraw/zinc/02/39/89/600023989.db2.gz OOEXKEMONIDLLM-SUMWQHHRSA-N -1 0 330.428 3.769 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)c2csc(-c3ccccc3)n2)c1 ZINC000739889347 600026764 /nfs/dbraw/zinc/02/67/64/600026764.db2.gz SHBUMDDXGQPXAZ-UHFFFAOYSA-N -1 0 339.372 3.656 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCc1ccc(SC)c(OC)c1 ZINC000737863270 600029595 /nfs/dbraw/zinc/02/95/95/600029595.db2.gz MZPAJCDEWSBJNO-UHFFFAOYSA-N -1 0 334.393 3.703 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)N[C@H]2CCc3ccc(F)cc32)cc1 ZINC000737333574 600032140 /nfs/dbraw/zinc/03/21/40/600032140.db2.gz YHLMOBLACMMWIT-INIZCTEOSA-N -1 0 343.358 3.749 20 0 EHADRM CC(C)[C@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000236681800 600035865 /nfs/dbraw/zinc/03/58/65/600035865.db2.gz USYKLFTUKDBEMY-IBGZPJMESA-N -1 0 325.408 3.831 20 0 EHADRM CCc1cccc2c(CC(=O)Nc3ccc(C(=O)[O-])s3)c[nH]c21 ZINC000737269861 600036020 /nfs/dbraw/zinc/03/60/20/600036020.db2.gz ITZJRPSGBIBNMQ-UHFFFAOYSA-N -1 0 328.393 3.671 20 0 EHADRM COc1ccccc1C/C(C)=C/C(=O)OCc1cc(C(=O)[O-])c(C)o1 ZINC000738124159 600036437 /nfs/dbraw/zinc/03/64/37/600036437.db2.gz MDPKHFFPSSEKGL-FMIVXFBMSA-N -1 0 344.363 3.527 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2ccc3[nH]c(C(F)F)nc3c2)c1 ZINC000538503929 600036446 /nfs/dbraw/zinc/03/64/46/600036446.db2.gz SNKMMTMOJCQWIZ-UHFFFAOYSA-N -1 0 349.268 3.590 20 0 EHADRM CC(=O)c1csc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)c1 ZINC000736196904 600036454 /nfs/dbraw/zinc/03/64/54/600036454.db2.gz RJMJNBJEAXVKNR-UHFFFAOYSA-N -1 0 349.433 3.842 20 0 EHADRM Cc1ccccc1[C@H](C)N(C)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000263519676 600037649 /nfs/dbraw/zinc/03/76/49/600037649.db2.gz GNFLNDDGYUZNQE-HNNXBMFYSA-N -1 0 325.408 3.845 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000736763329 600038691 /nfs/dbraw/zinc/03/86/91/600038691.db2.gz OCLOGKASLPKKOW-OLMNPRSZSA-N -1 0 331.456 3.894 20 0 EHADRM C[C@@H]1CCN(C(=O)CCc2ccc(C(=O)[O-])cc2)[C@H]2CCCC[C@H]12 ZINC000532603201 600038638 /nfs/dbraw/zinc/03/86/38/600038638.db2.gz URBRASJFCVZCCE-OLMNPRSZSA-N -1 0 329.440 3.745 20 0 EHADRM CC(C)[C@H](Sc1ccccc1)C(=O)OCc1cc(C(=O)[O-])co1 ZINC000736392729 600039139 /nfs/dbraw/zinc/03/91/39/600039139.db2.gz WPHTVKMWVGLWRZ-HNNXBMFYSA-N -1 0 334.393 3.838 20 0 EHADRM CC(C)[C@@H]1CCCC[C@H]1NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000325261193 600041250 /nfs/dbraw/zinc/04/12/50/600041250.db2.gz NWUFRLSFJAMVKB-DLBZAZTESA-N -1 0 332.444 3.741 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N(CC2CC2)C2CCCCC2)cc1 ZINC000238056537 600043927 /nfs/dbraw/zinc/04/39/27/600043927.db2.gz FNRKULGMFMHUHY-UHFFFAOYSA-N -1 0 329.440 3.889 20 0 EHADRM CC(C)c1ccc(SCC(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000262158511 600049747 /nfs/dbraw/zinc/04/97/47/600049747.db2.gz PRBKITVVNBHAHA-UHFFFAOYSA-N -1 0 335.469 3.662 20 0 EHADRM CCc1cc(=O)oc2cc(OCc3ccc(F)cc3C(=O)[O-])ccc12 ZINC000737251541 600058586 /nfs/dbraw/zinc/05/85/86/600058586.db2.gz TWNLZDNQGDYQCF-UHFFFAOYSA-N -1 0 342.322 3.772 20 0 EHADRM CCOc1ccc(Oc2ccccc2NC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1 ZINC000262586758 600059763 /nfs/dbraw/zinc/05/97/63/600059763.db2.gz GWNXYCXYXZPYKS-LSDHHAIUSA-N -1 0 341.363 3.537 20 0 EHADRM CC[C@@H](CC(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000236934822 600061909 /nfs/dbraw/zinc/06/19/09/600061909.db2.gz BJOPXJDWBXYKCF-AWEZNQCLSA-N -1 0 327.380 3.672 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)c2cnc(-c3ccco3)s2)cc1 ZINC000737336251 600062722 /nfs/dbraw/zinc/06/27/22/600062722.db2.gz NYGZHMUFOVLWKX-UHFFFAOYSA-N -1 0 343.364 3.770 20 0 EHADRM CCc1cccc2c(CC(=O)Oc3ccc(NC(=O)[O-])cc3)c[nH]c21 ZINC000737269490 600063705 /nfs/dbraw/zinc/06/37/05/600063705.db2.gz GPAKDGIGNREQNS-UHFFFAOYSA-N -1 0 338.363 3.968 20 0 EHADRM N#Cc1cccc(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)c1 ZINC000238213849 600068191 /nfs/dbraw/zinc/06/81/91/600068191.db2.gz HDRGBAULVOFMOV-UHFFFAOYSA-N -1 0 340.404 3.518 20 0 EHADRM C[C@H](c1cccs1)N(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000736727249 600068915 /nfs/dbraw/zinc/06/89/15/600068915.db2.gz YMOKMWZXLGDRER-YUELXQCFSA-N -1 0 329.421 3.559 20 0 EHADRM CCc1cc(Nc2ccc(N(C)C(=O)[O-])cc2)nc(-c2ccccn2)n1 ZINC000737251259 600075208 /nfs/dbraw/zinc/07/52/08/600075208.db2.gz BQHLFZUKDXAAOW-UHFFFAOYSA-N -1 0 349.394 3.959 20 0 EHADRM Cc1cc(Oc2ccc(C(=O)[O-])cc2Cl)nc(-c2ccccn2)n1 ZINC000738474021 600075439 /nfs/dbraw/zinc/07/54/39/600075439.db2.gz IVWIKCQOGDHKEV-UHFFFAOYSA-N -1 0 341.754 3.991 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OCc1ccc(-n2cccn2)cc1 ZINC000320377005 600080065 /nfs/dbraw/zinc/08/00/65/600080065.db2.gz QDWBKNIJERPXRI-UHFFFAOYSA-N -1 0 328.755 3.803 20 0 EHADRM CCO[C@@H](C(=O)Nc1ccc(F)c(NC(=O)[O-])c1)c1ccccc1 ZINC000737157672 600086073 /nfs/dbraw/zinc/08/60/73/600086073.db2.gz UMBUICYFHPFKHO-OAHLLOKOSA-N -1 0 332.331 3.632 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)CCc2cccc(F)c2F)ccc1F ZINC000740007231 600086515 /nfs/dbraw/zinc/08/65/15/600086515.db2.gz UFOVHRQXFJJKEX-UHFFFAOYSA-N -1 0 338.285 3.765 20 0 EHADRM CC(C)COc1ccc(CC(=O)OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000736446925 600109078 /nfs/dbraw/zinc/10/90/78/600109078.db2.gz YVWQMVHKUBPCRT-UHFFFAOYSA-N -1 0 342.391 3.706 20 0 EHADRM Cc1cc(COC(=O)c2ccc(Cl)c(Cl)c2O)oc1C(=O)[O-] ZINC000738393927 600109469 /nfs/dbraw/zinc/10/94/69/600109469.db2.gz AWBZYXBHBCXCIM-UHFFFAOYSA-N -1 0 345.134 3.656 20 0 EHADRM CC(C)CCc1nc(CN2Cc3ccc(C(=O)[O-])cc3C2)cs1 ZINC000736436084 600110518 /nfs/dbraw/zinc/11/05/18/600110518.db2.gz QACVHKAYOAIRGS-UHFFFAOYSA-N -1 0 330.453 3.946 20 0 EHADRM Cc1nc(C)c([C@H](C)N(C)C(=O)Nc2ccc(C(=O)[O-])cc2)s1 ZINC000738349009 600112770 /nfs/dbraw/zinc/11/27/70/600112770.db2.gz MCOZRQVZBCAPJK-JTQLQIEISA-N -1 0 333.413 3.683 20 0 EHADRM O=C([O-])c1ccc(-c2noc(-c3cnc(-c4ccccc4)nc3)n2)cc1 ZINC000740100666 600113017 /nfs/dbraw/zinc/11/30/17/600113017.db2.gz VPGIPXOFEGSBJC-UHFFFAOYSA-N -1 0 344.330 3.559 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)Cc1c(F)cccc1Cl ZINC000739337774 600114162 /nfs/dbraw/zinc/11/41/62/600114162.db2.gz FGOTVXSWJNETTI-UHFFFAOYSA-N -1 0 340.709 3.602 20 0 EHADRM CC(C)(CC(=O)OCc1ccc(F)cc1C(=O)[O-])c1ccccc1 ZINC000736317584 600116074 /nfs/dbraw/zinc/11/60/74/600116074.db2.gz VPMWCOGQJITGDY-UHFFFAOYSA-N -1 0 330.355 3.935 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)CCc1ccc(C)cc1C ZINC000736190183 600123479 /nfs/dbraw/zinc/12/34/79/600123479.db2.gz RLCOQWMTOQLANL-UHFFFAOYSA-N -1 0 340.375 3.742 20 0 EHADRM CCCc1nc(C)c(C(=O)N[C@](CC)(C(=O)[O-])c2ccccc2)s1 ZINC000262445512 600129693 /nfs/dbraw/zinc/12/96/93/600129693.db2.gz QJDXPQSDLBSIGB-SFHVURJKSA-N -1 0 346.452 3.524 20 0 EHADRM Cc1[nH]c(-c2ccccc2)nc1C(=O)Oc1ccc(C)cc1C(=O)[O-] ZINC000738640137 600132880 /nfs/dbraw/zinc/13/28/80/600132880.db2.gz VQKMHDICTKHCFL-UHFFFAOYSA-N -1 0 336.347 3.611 20 0 EHADRM CC[C@@](NC(=O)Cc1c(F)cccc1Cl)(C(=O)[O-])c1ccccc1 ZINC000485368327 600133176 /nfs/dbraw/zinc/13/31/76/600133176.db2.gz OZYXLWLKKKZTSH-SFHVURJKSA-N -1 0 349.789 3.528 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000736871068 600140422 /nfs/dbraw/zinc/14/04/22/600140422.db2.gz OOKUDFAPAJKCPQ-IMSIIYSGSA-N -1 0 346.254 3.788 20 0 EHADRM Cn1c2ccccc2nc1[C@@H]1CCCCN1Cc1ccc(C(=O)[O-])cc1 ZINC000739012574 600142677 /nfs/dbraw/zinc/14/26/77/600142677.db2.gz IJKMIWNUNLHWNJ-IBGZPJMESA-N -1 0 349.434 3.999 20 0 EHADRM CCC[C@@](C)(NC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000736954265 600143507 /nfs/dbraw/zinc/14/35/07/600143507.db2.gz JIENDCDELKKCNV-MGPLVRAMSA-N -1 0 346.254 3.932 20 0 EHADRM Cc1sc(NC(=O)c2cc3nc(C)ccc3o2)c(C(=O)[O-])c1C ZINC000738309742 600150247 /nfs/dbraw/zinc/15/02/47/600150247.db2.gz ZIJSHYGUGWYORV-UHFFFAOYSA-N -1 0 330.365 3.765 20 0 EHADRM Cc1cc(C)c(-c2csc(NC(=O)C(C)(C)NC(=O)[O-])n2)cc1C ZINC000738351953 600150753 /nfs/dbraw/zinc/15/07/53/600150753.db2.gz PBOILXJEVYBVNL-UHFFFAOYSA-N -1 0 347.440 3.720 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)c1cccc(C(F)F)c1 ZINC000740242125 600152888 /nfs/dbraw/zinc/15/28/88/600152888.db2.gz NPUQMUYJOAZZHK-UHFFFAOYSA-N -1 0 331.318 3.915 20 0 EHADRM CCCC[C@H](Nc1cc(Cl)ccc1OC[C@H]1CCCO1)C(=O)[O-] ZINC000736983310 600155017 /nfs/dbraw/zinc/15/50/17/600155017.db2.gz ZAECDEVIKVBXSL-KGLIPLIRSA-N -1 0 341.835 3.953 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cccc(C(F)F)c1)c1ccc(F)cc1 ZINC000738566723 600158568 /nfs/dbraw/zinc/15/85/68/600158568.db2.gz TXGGIJKDKZLFDD-AWEZNQCLSA-N -1 0 337.297 3.709 20 0 EHADRM Cc1ccc([C@H](CNC(=O)c2csc3c2CCCC3)C(=O)[O-])cc1 ZINC000486399014 600161752 /nfs/dbraw/zinc/16/17/52/600161752.db2.gz SWOAORWEKFKZBB-HNNXBMFYSA-N -1 0 343.448 3.534 20 0 EHADRM Cc1ccc([C@H](CNC(=O)c2cccc(C(F)F)c2)C(=O)[O-])cc1 ZINC000738568157 600163952 /nfs/dbraw/zinc/16/39/52/600163952.db2.gz ZYDNTKROLZOQKX-HNNXBMFYSA-N -1 0 333.334 3.531 20 0 EHADRM Cc1ccc([C@H](CNC(=O)c2ccc(C)c(Cl)c2)C(=O)[O-])cc1 ZINC000486378290 600164860 /nfs/dbraw/zinc/16/48/60/600164860.db2.gz XETIUUJNMOTIEW-HNNXBMFYSA-N -1 0 331.799 3.555 20 0 EHADRM CCc1cc2c(ncnc2NC[C@H](C(=O)[O-])c2ccc(C)cc2)s1 ZINC000737252361 600167475 /nfs/dbraw/zinc/16/74/75/600167475.db2.gz NFTXFZUYNRMVRB-HNNXBMFYSA-N -1 0 341.436 3.842 20 0 EHADRM C[C@H]1CCc2sc(C(=O)Nc3ccc(C(=O)[O-])cc3F)cc2C1 ZINC000321583698 600168034 /nfs/dbraw/zinc/16/80/34/600168034.db2.gz IIJDQCOXKDTNEL-VIFPVBQESA-N -1 0 333.384 3.963 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)Nc2cccc3cccnc32)C(=O)[O-])cc1 ZINC000738562267 600172538 /nfs/dbraw/zinc/17/25/38/600172538.db2.gz UEKYHAGBBUJQCC-MRXNPFEDSA-N -1 0 349.390 3.533 20 0 EHADRM Cc1cc(C)cc([C@H](C)NC(=O)NCCc2ccc(C(=O)[O-])cc2)c1 ZINC000738364396 600173245 /nfs/dbraw/zinc/17/32/45/600173245.db2.gz UZNBYKQEHSSYCS-HNNXBMFYSA-N -1 0 340.423 3.605 20 0 EHADRM CCN(C(=O)c1csc(CC(C)C)n1)c1ccccc1C(=O)[O-] ZINC000737063087 600179438 /nfs/dbraw/zinc/17/94/38/600179438.db2.gz ZEJVUHUFQNOEJX-UHFFFAOYSA-N -1 0 332.425 3.707 20 0 EHADRM O=C([O-])CCCc1nc(CSCc2ccc(Cl)cc2)no1 ZINC000739701507 600183694 /nfs/dbraw/zinc/18/36/94/600183694.db2.gz DJSJHWNLGWRSSW-UHFFFAOYSA-N -1 0 326.805 3.564 20 0 EHADRM CC(C)(C)Oc1ccccc1NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736287150 600184820 /nfs/dbraw/zinc/18/48/20/600184820.db2.gz XKTMQENHRBWVLA-CYBMUJFWSA-N -1 0 346.427 3.583 20 0 EHADRM Cc1ccc(C(C)(C)C)c(OCc2noc(CCCC(=O)[O-])n2)c1 ZINC000738546459 600186408 /nfs/dbraw/zinc/18/64/08/600186408.db2.gz CROGQDPXDGOJKW-UHFFFAOYSA-N -1 0 332.400 3.662 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)OCc2cc(Cl)nc(Cl)c2)cc1 ZINC000738666440 600187935 /nfs/dbraw/zinc/18/79/35/600187935.db2.gz ZATWYFAROHUNIS-UHFFFAOYSA-N -1 0 341.150 3.835 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000539603185 600192012 /nfs/dbraw/zinc/19/20/12/600192012.db2.gz CBOCKODKPYPIFU-LLVKDONJSA-N -1 0 333.384 3.891 20 0 EHADRM Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000390880280 600200332 /nfs/dbraw/zinc/20/03/32/600200332.db2.gz DYUVLQOTXCTUJL-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM Cc1cccc(C)c1OCCC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000392148296 600200588 /nfs/dbraw/zinc/20/05/88/600200588.db2.gz IXDBBZGOXUQNJQ-UHFFFAOYSA-N -1 0 331.343 3.548 20 0 EHADRM Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000551679706 600201221 /nfs/dbraw/zinc/20/12/21/600201221.db2.gz WTYCGVQFNKKIDN-UHFFFAOYSA-N -1 0 345.370 3.973 20 0 EHADRM CCOc1ccc(SCC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000325057556 600201549 /nfs/dbraw/zinc/20/15/49/600201549.db2.gz VXHYCCWZIRNNSV-UHFFFAOYSA-N -1 0 349.383 3.653 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000261955467 600201621 /nfs/dbraw/zinc/20/16/21/600201621.db2.gz QOCNSRJEQBFSNJ-GFCCVEGCSA-N -1 0 345.370 3.740 20 0 EHADRM Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000738900552 600202586 /nfs/dbraw/zinc/20/25/86/600202586.db2.gz CXPSLCLTNMZJSC-UHFFFAOYSA-N -1 0 349.818 3.859 20 0 EHADRM CC[C@@](NC(=O)C[C@H](C)c1cccc(F)c1)(C(=O)[O-])c1ccccc1 ZINC000485373054 600207981 /nfs/dbraw/zinc/20/79/81/600207981.db2.gz NKNYNOYULWWUNY-XOBRGWDASA-N -1 0 343.398 3.826 20 0 EHADRM CN(Cc1cc(-c2ccc(F)cc2)no1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737454241 600209552 /nfs/dbraw/zinc/20/95/52/600209552.db2.gz GBHXSULZAXMHKP-GOSISDBHSA-N -1 0 340.354 3.738 20 0 EHADRM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000736904875 600211371 /nfs/dbraw/zinc/21/13/71/600211371.db2.gz ZTNCJCHGXZNXRU-MRXNPFEDSA-N -1 0 331.799 3.789 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)cc1C ZINC000738513482 600212079 /nfs/dbraw/zinc/21/20/79/600212079.db2.gz MZEWIAXJXWWBII-UHFFFAOYSA-N -1 0 335.306 3.855 20 0 EHADRM CCc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)cc1 ZINC000737257966 600212844 /nfs/dbraw/zinc/21/28/44/600212844.db2.gz VKBGPQCRFHWPDM-UHFFFAOYSA-N -1 0 335.306 3.801 20 0 EHADRM CC(C)c1cccc(NC(=O)CN(C)[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000736520262 600214561 /nfs/dbraw/zinc/21/45/61/600214561.db2.gz BEYXTIBDBQUHGR-LJQANCHMSA-N -1 0 340.423 3.506 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)CCc2ccc(Cl)s2)c2ccccc21 ZINC000192963059 600218855 /nfs/dbraw/zinc/21/88/55/600218855.db2.gz WTQYQEXGYLFACU-LBPRGKRZSA-N -1 0 335.812 3.549 20 0 EHADRM CCCCOc1ccc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000177479965 600220136 /nfs/dbraw/zinc/22/01/36/600220136.db2.gz LEUDMCRPCWEZOD-KRWDZBQOSA-N -1 0 339.391 3.694 20 0 EHADRM Cc1ccccc1NC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000738778781 600226675 /nfs/dbraw/zinc/22/66/75/600226675.db2.gz VFSMEMKSEKROPO-UHFFFAOYSA-N -1 0 339.395 3.937 20 0 EHADRM O=C([O-])CCCCNC(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000666530690 600235655 /nfs/dbraw/zinc/23/56/55/600235655.db2.gz VZKZRVPBRITPEL-GFCCVEGCSA-N -1 0 345.226 3.535 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)/C=C\c1ccc(Cl)s1 ZINC000738083340 600248115 /nfs/dbraw/zinc/24/81/15/600248115.db2.gz ABRBZTOMUIZYIM-VURMDHGXSA-N -1 0 338.768 3.727 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1sc(CC(C)C)nc1C ZINC000738088317 600248815 /nfs/dbraw/zinc/24/88/15/600248815.db2.gz HHEHQPJTTWLPOT-UHFFFAOYSA-N -1 0 349.408 3.576 20 0 EHADRM CC(C)c1ccc(NC(=O)c2cccc(-n3cccn3)c2)c(C(=O)[O-])c1 ZINC000736514863 600250375 /nfs/dbraw/zinc/25/03/75/600250375.db2.gz DFRDVRIIEDQPGG-UHFFFAOYSA-N -1 0 349.390 3.946 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccc(Oc3ccccn3)cc2)c1 ZINC000740217256 600251925 /nfs/dbraw/zinc/25/19/25/600251925.db2.gz VNQRZWWNMHRQNB-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM Cc1cc(F)cc2[nH]c(C(=O)Nc3cc(C(=O)[O-])ccc3F)cc21 ZINC000237665330 600254526 /nfs/dbraw/zinc/25/45/26/600254526.db2.gz QRDJPFUEWHZJNS-UHFFFAOYSA-N -1 0 330.290 3.705 20 0 EHADRM CC(C)[C@@H](Sc1ccccc1)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000531999960 600267459 /nfs/dbraw/zinc/26/74/59/600267459.db2.gz KCUADLUTAHXDJD-JKSUJKDBSA-N -1 0 347.480 3.517 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)N[C@H](Cc2ccccc2)C2CC2)c1 ZINC000739464456 600275623 /nfs/dbraw/zinc/27/56/23/600275623.db2.gz SHYCDBDDPLPXES-MRXNPFEDSA-N -1 0 342.370 3.667 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC(Cc3ccccc3F)CC2)s1 ZINC000262778155 600276407 /nfs/dbraw/zinc/27/64/07/600276407.db2.gz IMQYOEZLXUHQQG-UHFFFAOYSA-N -1 0 347.411 3.680 20 0 EHADRM O=C([O-])c1ccc2nc(SCCCOCC(F)(F)F)oc2c1 ZINC000740212702 600278985 /nfs/dbraw/zinc/27/89/85/600278985.db2.gz QIZCARBGMPMBDN-UHFFFAOYSA-N -1 0 335.303 3.587 20 0 EHADRM CSc1ccc(C)c(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000177471173 600280044 /nfs/dbraw/zinc/28/00/44/600280044.db2.gz AXMDGSSWVOJUGX-OAHLLOKOSA-N -1 0 327.405 3.546 20 0 EHADRM CCOc1ccc(CNC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000737201997 600283638 /nfs/dbraw/zinc/28/36/38/600283638.db2.gz CWQFQMGXQRMNMH-UHFFFAOYSA-N -1 0 348.786 3.759 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736626238 600285355 /nfs/dbraw/zinc/28/53/55/600285355.db2.gz LMRRDIIVQJLHPY-CYBMUJFWSA-N -1 0 344.386 3.753 20 0 EHADRM COc1cc(CNC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)ccc1C ZINC000737886379 600287055 /nfs/dbraw/zinc/28/70/55/600287055.db2.gz OQDFFGKMYKQWSH-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM CN(Cc1ccc(NC(=O)Cc2cc3ccccc3o2)cc1)C(=O)[O-] ZINC000737478218 600287610 /nfs/dbraw/zinc/28/76/10/600287610.db2.gz FYSKSAKUBKHLOE-UHFFFAOYSA-N -1 0 338.363 3.724 20 0 EHADRM Cc1cc(CNC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc(C)c1O ZINC000738390268 600288149 /nfs/dbraw/zinc/28/81/49/600288149.db2.gz WPWBQGMIOBXLBV-UHFFFAOYSA-N -1 0 348.786 3.682 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000738841359 600291241 /nfs/dbraw/zinc/29/12/41/600291241.db2.gz QNOUHHXZKQURJR-UHFFFAOYSA-N -1 0 333.413 3.595 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccccc1F ZINC000736549494 600292499 /nfs/dbraw/zinc/29/24/99/600292499.db2.gz WCEAHSUXQJNPEC-LBPRGKRZSA-N -1 0 330.359 3.726 20 0 EHADRM CC(C)c1ccc(OCC(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000736514769 600292570 /nfs/dbraw/zinc/29/25/70/600292570.db2.gz AAIYBDYYNDPHGD-UHFFFAOYSA-N -1 0 342.395 3.595 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)Cc2ccc3c(c2)CCCC3)cc1 ZINC000739989091 600295554 /nfs/dbraw/zinc/29/55/54/600295554.db2.gz QUNKFXYAIJEVFZ-UHFFFAOYSA-N -1 0 338.407 3.514 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)c2csc3c2CCCC3)cc1 ZINC000739992553 600309486 /nfs/dbraw/zinc/30/94/86/600309486.db2.gz OTPJTVYBTLLENN-UHFFFAOYSA-N -1 0 330.409 3.647 20 0 EHADRM CCSc1cccc(NC(=O)Nc2nc(CC(=O)[O-])cs2)c1 ZINC000737230348 600316197 /nfs/dbraw/zinc/31/61/97/600316197.db2.gz VTZNXNKITXDMGX-UHFFFAOYSA-N -1 0 337.426 3.526 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccc2ncsc2c1)c1cccc(Cl)c1 ZINC000740298321 600320076 /nfs/dbraw/zinc/32/00/76/600320076.db2.gz KIPMFAXVEBGIFW-CQSZACIVSA-N -1 0 347.779 3.932 20 0 EHADRM O=C([O-])[C@@H](OC(=O)/C=C\c1cccc(F)c1)c1cccc(Cl)c1 ZINC000739214024 600321326 /nfs/dbraw/zinc/32/13/26/600321326.db2.gz BPUCDCBIZQCMES-PTZVLDCSSA-N -1 0 334.730 3.861 20 0 EHADRM Cc1ccc(CCC(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000738589277 600322493 /nfs/dbraw/zinc/32/24/93/600322493.db2.gz LZQQTQQAKMLYNJ-QGZVFWFLSA-N -1 0 332.783 3.950 20 0 EHADRM O=C([O-])[C@H](OC(=O)Cc1ccc2c(c1)CCC2)c1cccc(Cl)c1 ZINC000739346571 600323978 /nfs/dbraw/zinc/32/39/78/600323978.db2.gz RBMZKLHGDNSFCZ-GOSISDBHSA-N -1 0 344.794 3.740 20 0 EHADRM COc1cccc([C@@H](C)C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000738088865 600327882 /nfs/dbraw/zinc/32/78/82/600327882.db2.gz AUSORWLRHFSBDW-BDJLRTHQSA-N -1 0 348.782 3.821 20 0 EHADRM Cc1nc(NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)sc1C ZINC000738866499 600330512 /nfs/dbraw/zinc/33/05/12/600330512.db2.gz SAQVIVJVHYENBJ-UHFFFAOYSA-N -1 0 334.401 3.514 20 0 EHADRM CCCCc1ccc(NC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000405390053 600333219 /nfs/dbraw/zinc/33/32/19/600333219.db2.gz JBSLXHVMMYFVNA-INIZCTEOSA-N -1 0 330.428 3.748 20 0 EHADRM CCCOc1ccccc1NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737035189 600334235 /nfs/dbraw/zinc/33/42/35/600334235.db2.gz YXKTUCRELSNLTJ-UHFFFAOYSA-N -1 0 343.383 3.887 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)Nc2ccc(Cl)cc2F)cc1 ZINC000739993024 600334974 /nfs/dbraw/zinc/33/49/74/600334974.db2.gz ZFPBPEFRBYWVGJ-UHFFFAOYSA-N -1 0 337.738 3.891 20 0 EHADRM CC(C)CCc1ccc(NC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000736436048 600337475 /nfs/dbraw/zinc/33/74/75/600337475.db2.gz PARCIBIZVBQCBM-KRWDZBQOSA-N -1 0 344.455 3.994 20 0 EHADRM Cc1cc(C[NH+]2CCC(Cc3ccccc3F)CC2)oc1C(=O)[O-] ZINC000652435397 600338165 /nfs/dbraw/zinc/33/81/65/600338165.db2.gz GAPFCJHQOORKRD-UHFFFAOYSA-N -1 0 331.387 3.880 20 0 EHADRM O=C([O-])NCCOC(=O)c1sc2cccc(Cl)c2c1Cl ZINC000739976922 600353976 /nfs/dbraw/zinc/35/39/76/600353976.db2.gz GIPOYNNNSVTJAR-UHFFFAOYSA-N -1 0 334.180 3.633 20 0 EHADRM C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736718044 600355309 /nfs/dbraw/zinc/35/53/09/600355309.db2.gz QIVKZLBPQZIEJF-LBPRGKRZSA-N -1 0 345.374 3.818 20 0 EHADRM C[C@@H](CCc1ccccc1)NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736560617 600356074 /nfs/dbraw/zinc/35/60/74/600356074.db2.gz HFXUZUHAJUXNRE-AWEZNQCLSA-N -1 0 341.411 3.597 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000736650078 600356621 /nfs/dbraw/zinc/35/66/21/600356621.db2.gz YYFPSSBIGIEJLH-LLVKDONJSA-N -1 0 347.802 3.990 20 0 EHADRM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CC/C=C/c1ccccc1 ZINC000362519383 600374827 /nfs/dbraw/zinc/37/48/27/600374827.db2.gz MISIVWIBXRCKAI-KBMDHIKASA-N -1 0 335.403 3.518 20 0 EHADRM Cc1ncsc1CCOc1ccc(C(=O)[O-])cc1Br ZINC000062703043 600376791 /nfs/dbraw/zinc/37/67/91/600376791.db2.gz GDORBVOAVOYQEC-UHFFFAOYSA-N -1 0 342.214 3.534 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000139447115 600378175 /nfs/dbraw/zinc/37/81/75/600378175.db2.gz AJIMDMGSOGPNRT-KDOFPFPSSA-N -1 0 343.398 3.727 20 0 EHADRM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000736826136 600379704 /nfs/dbraw/zinc/37/97/04/600379704.db2.gz PRGUCBUHLHGWLP-XXFAHNHDSA-N -1 0 346.333 3.718 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)c2ccc(Cl)cc2F)cc1 ZINC000740020244 600383126 /nfs/dbraw/zinc/38/31/26/600383126.db2.gz MYDJQMVKCAFJDY-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM CCN(Cc1ccccc1C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000737105116 600384349 /nfs/dbraw/zinc/38/43/49/600384349.db2.gz ZFUPWOKMFGTJST-UHFFFAOYSA-N -1 0 330.359 3.886 20 0 EHADRM CC(=CC(=O)NCCc1ccc(NC(=O)[O-])cc1)c1cccc(F)c1 ZINC000736121205 600384786 /nfs/dbraw/zinc/38/47/86/600384786.db2.gz PWWDZAOPBYBMJQ-QBFSEMIESA-N -1 0 342.370 3.678 20 0 EHADRM C[C@@H]1c2ccccc2CCN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000736839562 600388738 /nfs/dbraw/zinc/38/87/38/600388738.db2.gz CEBFKQVPZMRURK-LLVKDONJSA-N -1 0 328.343 3.675 20 0 EHADRM CCSc1ccc(C(=O)N(c2ccccc2)[C@@H](CC)C(=O)[O-])cn1 ZINC000737232121 600388855 /nfs/dbraw/zinc/38/88/55/600388855.db2.gz ZAAPKJFHGVGPIX-HNNXBMFYSA-N -1 0 344.436 3.704 20 0 EHADRM C[C@@H]1c2c(F)cccc2CCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000630288236 600390035 /nfs/dbraw/zinc/39/00/35/600390035.db2.gz AZWRUKCTANTXRY-CYBMUJFWSA-N -1 0 341.382 3.602 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)o1 ZINC000736766698 600391203 /nfs/dbraw/zinc/39/12/03/600391203.db2.gz VPVXAEBPVOKNNS-BXKDBHETSA-N -1 0 332.331 3.562 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c(F)c1 ZINC000739466775 600399960 /nfs/dbraw/zinc/39/99/60/600399960.db2.gz JXURCSFYBYQVSX-UWVGGRQHSA-N -1 0 348.296 3.767 20 0 EHADRM CCCCN(CC)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736993462 600404503 /nfs/dbraw/zinc/40/45/03/600404503.db2.gz DHXPUEAOMPPSNI-UHFFFAOYSA-N -1 0 330.331 3.640 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC000236939646 600405692 /nfs/dbraw/zinc/40/56/92/600405692.db2.gz XXKZWFLOTZAOKC-HNNXBMFYSA-N -1 0 333.428 3.616 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)Nc2ccc(C)cc2C(=O)[O-])s1 ZINC000738627711 600406507 /nfs/dbraw/zinc/40/65/07/600406507.db2.gz KDFPZEDYXFKMPT-UHFFFAOYSA-N -1 0 341.335 3.917 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)Nc2sccc2C(=O)[O-])s1 ZINC000738464697 600406514 /nfs/dbraw/zinc/40/65/14/600406514.db2.gz KYQWDQSWARXIKE-UHFFFAOYSA-N -1 0 333.337 3.670 20 0 EHADRM CC[C@@](C)(NC(=O)c1ccc(Oc2ccncc2)c(Cl)c1)C(=O)[O-] ZINC000736861641 600407086 /nfs/dbraw/zinc/40/70/86/600407086.db2.gz RGEAQSKUXPIHBA-QGZVFWFLSA-N -1 0 348.786 3.510 20 0 EHADRM CC(C)[C@H](C)N(CC(F)(F)F)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000736352360 600409530 /nfs/dbraw/zinc/40/95/30/600409530.db2.gz BVPMVQCVCLTOLC-LBPRGKRZSA-N -1 0 345.361 3.753 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)c2c[nH]cc2-c2ccccc2)cc1 ZINC000740023451 600411418 /nfs/dbraw/zinc/41/14/18/600411418.db2.gz MUGWDOFZCXABOP-UHFFFAOYSA-N -1 0 349.390 3.744 20 0 EHADRM CCCc1c(C(=O)N[C@@H](C)Cc2ccc(C)s2)[nH]c(C)c1C(=O)[O-] ZINC000737039882 600414114 /nfs/dbraw/zinc/41/41/14/600414114.db2.gz BLYSNMFIFBJRAB-JTQLQIEISA-N -1 0 348.468 3.705 20 0 EHADRM COc1ccc2cc(/C=C/C(=O)NC(C)(C)CCC(=O)[O-])ccc2c1 ZINC000738078154 600416309 /nfs/dbraw/zinc/41/63/09/600416309.db2.gz APXDDLJYUCQKST-WEVVVXLNSA-N -1 0 341.407 3.621 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C[C@@H]1CCc2ccccc2C1)c1ccccc1 ZINC000262338269 600425252 /nfs/dbraw/zinc/42/52/52/600425252.db2.gz XVGVGAUUANEAPT-BEFAXECRSA-N -1 0 337.419 3.514 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000237486255 600427293 /nfs/dbraw/zinc/42/72/93/600427293.db2.gz PILFHYWLPBANJJ-SJORKVTESA-N -1 0 339.435 3.615 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)c1 ZINC000740245672 600435225 /nfs/dbraw/zinc/43/52/25/600435225.db2.gz XQCRYGAULLMMHY-UHFFFAOYSA-N -1 0 349.390 3.782 20 0 EHADRM O=C([O-])c1cc(OCc2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000327141030 600443055 /nfs/dbraw/zinc/44/30/55/600443055.db2.gz VUHGXMXAUQHKQB-UHFFFAOYSA-N -1 0 341.241 3.891 20 0 EHADRM CC(C)c1ccc2c(Cl)c(C(=O)N[C@@H](C)C(=O)[O-])sc2c1 ZINC000736520360 600445940 /nfs/dbraw/zinc/44/59/40/600445940.db2.gz FBKWKCGIQLNAMA-QMMMGPOBSA-N -1 0 325.817 3.881 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cc(F)c(F)cc1Cl)c1ccc(F)cc1 ZINC000740291593 600449626 /nfs/dbraw/zinc/44/96/26/600449626.db2.gz MKDXNFRKNKHDDK-ZDUSSCGKSA-N -1 0 344.672 3.740 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736622799 600453732 /nfs/dbraw/zinc/45/37/32/600453732.db2.gz VYGUHLIKWGDXMI-BDJLRTHQSA-N -1 0 334.318 3.513 20 0 EHADRM CN(C(=O)Nc1cc(C(=O)[O-])ccc1F)[C@@H]1CCc2ccccc2C1 ZINC000737327893 600455612 /nfs/dbraw/zinc/45/56/12/600455612.db2.gz XDJLMLDTIYCFIL-OAHLLOKOSA-N -1 0 342.370 3.545 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)N2CCC[C@]3(CC=CCC3)C2)c1 ZINC000738612638 600455731 /nfs/dbraw/zinc/45/57/31/600455731.db2.gz ORRCCZFHTPPMQQ-LJQANCHMSA-N -1 0 344.411 3.504 20 0 EHADRM CC(C)CCC[C@H](C)NC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736426717 600455798 /nfs/dbraw/zinc/45/57/98/600455798.db2.gz NOIVTYWIWKCPGU-AWEZNQCLSA-N -1 0 335.448 3.833 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736616806 600456398 /nfs/dbraw/zinc/45/63/98/600456398.db2.gz AYGUJOVCYAWUBN-MLGOLLRUSA-N -1 0 348.395 3.923 20 0 EHADRM O=C([O-])[C@@H](OC(=O)C[C@H]1CCc2ccccc21)c1ccc(F)cc1 ZINC000739220596 600456650 /nfs/dbraw/zinc/45/66/50/600456650.db2.gz APKWZGBCQKQUAF-KDOFPFPSSA-N -1 0 328.339 3.615 20 0 EHADRM CC(C)[C@@H](OC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000736556599 600467704 /nfs/dbraw/zinc/46/77/04/600467704.db2.gz MBNHHAFBJTZVGA-QMTHXVAHSA-N -1 0 332.318 3.851 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccccc2OC2CCC2)ccc1F ZINC000740087590 600475153 /nfs/dbraw/zinc/47/51/53/600475153.db2.gz DTRVXYBPZVRALQ-UHFFFAOYSA-N -1 0 329.327 3.708 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cc2c[nH]c3cc(F)ccc23)cc1Cl ZINC000238170227 600478641 /nfs/dbraw/zinc/47/86/41/600478641.db2.gz IYEXLBIKKKFQPE-UHFFFAOYSA-N -1 0 346.745 3.840 20 0 EHADRM CO[C@@](C)(C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000362391123 600479626 /nfs/dbraw/zinc/47/96/26/600479626.db2.gz VPEJRRFUCAZDPS-QGZVFWFLSA-N -1 0 333.771 3.539 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)CCc2ccsc2)cc1 ZINC000238001515 600480447 /nfs/dbraw/zinc/48/04/47/600480447.db2.gz ZASGZXSTCWKVJX-UHFFFAOYSA-N -1 0 333.409 3.563 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c(C)c1 ZINC000237624078 600482145 /nfs/dbraw/zinc/48/21/45/600482145.db2.gz ICUMLEGVJZRGQV-UHFFFAOYSA-N -1 0 327.380 3.799 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(CCC(=O)[O-])cc1)C(=O)c1ccccc1 ZINC000736549194 600492857 /nfs/dbraw/zinc/49/28/57/600492857.db2.gz TUZSPHCULQYUKB-CQSZACIVSA-N -1 0 339.391 3.551 20 0 EHADRM Cc1cc(NC(=O)C[C@@H](C)C(=O)c2ccccc2)ccc1C(=O)[O-] ZINC000738424858 600493350 /nfs/dbraw/zinc/49/33/50/600493350.db2.gz ODTXXXPJZKCKPT-CYBMUJFWSA-N -1 0 325.364 3.541 20 0 EHADRM CC(C)[C@H]1CCCC[C@@H]1NC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736394910 600495021 /nfs/dbraw/zinc/49/50/21/600495021.db2.gz LENDQRSVJLAZFM-SJORKVTESA-N -1 0 347.459 3.833 20 0 EHADRM Cc1[nH]c(C(=O)N[C@H](c2ccccc2C)C2CC2)c(C)c1C(=O)[O-] ZINC000738322184 600496918 /nfs/dbraw/zinc/49/69/18/600496918.db2.gz QFVMZGBMQSXKDG-KRWDZBQOSA-N -1 0 326.396 3.519 20 0 EHADRM C[C@@H](c1nc(-c2ccccc2)no1)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736723071 600505708 /nfs/dbraw/zinc/50/57/08/600505708.db2.gz ANOMTUOKUSWRJJ-LBPRGKRZSA-N -1 0 335.363 3.512 20 0 EHADRM CS[C@@H]1CCC[C@H](NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000318637609 600507943 /nfs/dbraw/zinc/50/79/43/600507943.db2.gz CRJJQLFIBLPKIQ-GXSJLCMTSA-N -1 0 342.848 3.834 20 0 EHADRM Cc1nc(=O)[nH]c(SCc2ccc3ccccc3c2)c1C(=O)[O-] ZINC000738230151 600516060 /nfs/dbraw/zinc/51/60/60/600516060.db2.gz OKYFVELYKVGCRE-UHFFFAOYSA-N -1 0 326.377 3.634 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC000736358572 600521048 /nfs/dbraw/zinc/52/10/48/600521048.db2.gz KHZLYSUGALRFPX-SFHVURJKSA-N -1 0 326.392 3.734 20 0 EHADRM Cc1csc(-c2cccc(C(=O)Nc3ncc(C(=O)[O-])s3)c2)n1 ZINC000738813626 600521930 /nfs/dbraw/zinc/52/19/30/600521930.db2.gz BPNFWRFAECUTOB-UHFFFAOYSA-N -1 0 345.405 3.526 20 0 EHADRM Cc1cccc([C@@H](C)C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000139365134 600526280 /nfs/dbraw/zinc/52/62/80/600526280.db2.gz VPMGCLUFCAZPHG-CRAIPNDOSA-N -1 0 325.408 3.821 20 0 EHADRM O=C([O-])c1ccc(-c2csc(NC(=O)C3CCSCC3)n2)cc1 ZINC000740099002 600532662 /nfs/dbraw/zinc/53/26/62/600532662.db2.gz RPBJKIPRLWJYSY-UHFFFAOYSA-N -1 0 348.449 3.590 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc(Oc3ccncc3)c2)cc1 ZINC000738682802 600536589 /nfs/dbraw/zinc/53/65/89/600536589.db2.gz DXLZKBFXZIXDLL-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)Nc2ccccc2-c2ccccc2)o1 ZINC000327405129 600539325 /nfs/dbraw/zinc/53/93/25/600539325.db2.gz GUJZPQGYISFDOP-UHFFFAOYSA-N -1 0 336.347 3.967 20 0 EHADRM CC(C)c1ccsc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000236814953 600539359 /nfs/dbraw/zinc/53/93/59/600539359.db2.gz YCKFITQPEISSSE-UHFFFAOYSA-N -1 0 334.353 3.730 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)NCc2ccc(C(=O)[O-])o2)c1 ZINC000736432229 600542759 /nfs/dbraw/zinc/54/27/59/600542759.db2.gz SZLFSLGMNBISDS-UHFFFAOYSA-N -1 0 346.383 3.724 20 0 EHADRM Cc1ccc(C(C)(C)C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000237633581 600543128 /nfs/dbraw/zinc/54/31/28/600543128.db2.gz AIGMGDQDZPNLCE-UHFFFAOYSA-N -1 0 342.351 3.518 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)Nc1cccc(N2CCC(C)CC2)c1 ZINC000736417531 600550283 /nfs/dbraw/zinc/55/02/83/600550283.db2.gz VQGFNAQHZAKQFG-QGZVFWFLSA-N -1 0 347.459 3.544 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[C@H](C)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000736869326 600550860 /nfs/dbraw/zinc/55/08/60/600550860.db2.gz DKLYPXWIXZZIKT-RWEMILLDSA-N -1 0 332.227 3.712 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N[C@H]1CC[C@@H](C)C[C@H]1C)C(=O)[O-] ZINC000736769738 600564451 /nfs/dbraw/zinc/56/44/51/600564451.db2.gz XLGQWOGKXRTALY-CXTNEJHOSA-N -1 0 335.469 3.806 20 0 EHADRM Cc1cc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)c(C(=O)[O-])[nH]1 ZINC000738437482 600569017 /nfs/dbraw/zinc/56/90/17/600569017.db2.gz LUHVXHMAZSJDGJ-AWEZNQCLSA-N -1 0 331.347 3.529 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)C[C@H]2OCCc3ccccc32)c1 ZINC000739224632 600569786 /nfs/dbraw/zinc/56/97/86/600569786.db2.gz GYKHNRFXRUMSGZ-MRXNPFEDSA-N -1 0 345.782 3.681 20 0 EHADRM CCc1[nH]c(C(=O)N2C[C@H](c3ccccc3)C[C@H]2C)c(C)c1C(=O)[O-] ZINC000737240766 600580223 /nfs/dbraw/zinc/58/02/23/600580223.db2.gz IJRNGNRGZJDXQD-IUODEOHRSA-N -1 0 340.423 3.602 20 0 EHADRM COc1ccccc1NC(=S)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000738135899 600581997 /nfs/dbraw/zinc/58/19/97/600581997.db2.gz IQPNNMUABIRVKL-UHFFFAOYSA-N -1 0 336.800 3.856 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)c1ccc(Cl)cn1 ZINC000321543982 600584818 /nfs/dbraw/zinc/58/48/18/600584818.db2.gz ZAJMVVBCUFHNGF-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)C2(c3ccccc3F)CC2)ccc1F ZINC000740006621 600587180 /nfs/dbraw/zinc/58/71/80/600587180.db2.gz QUZDFKBQGRPMLB-UHFFFAOYSA-N -1 0 332.306 3.725 20 0 EHADRM CC(C)Cc1ccc([C@H](C)NC(=O)CS[C@@H](C)CC(=O)[O-])cc1 ZINC000736454241 600589361 /nfs/dbraw/zinc/58/93/61/600589361.db2.gz SJXKQICKHVKIMJ-KBPBESRZSA-N -1 0 337.485 3.659 20 0 EHADRM Cc1sc2[nH]c([C@@H](C)S[C@@H](C)CC(=O)[O-])nc(=O)c2c1C ZINC000738399030 600589627 /nfs/dbraw/zinc/58/96/27/600589627.db2.gz QLZKHXWQHWFDCR-IMTBSYHQSA-N -1 0 326.443 3.671 20 0 EHADRM CC(C)[C@@H](S[C@H](C)CC(=O)[O-])C(=O)Nc1ccc2c(c1)CCC2 ZINC000736550660 600591737 /nfs/dbraw/zinc/59/17/37/600591737.db2.gz QEIVVUYKMAXRPD-SJKOYZFVSA-N -1 0 335.469 3.735 20 0 EHADRM Cc1cc(C(=O)N(C)C[C@@H](C)C(=O)[O-])c(C)n1[C@@H](C)c1ccccc1 ZINC000237575767 600593345 /nfs/dbraw/zinc/59/33/45/600593345.db2.gz MAKGDWHHZCCHJY-HIFRSBDPSA-N -1 0 342.439 3.507 20 0 EHADRM CN(C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737314751 600594178 /nfs/dbraw/zinc/59/41/78/600594178.db2.gz RSHRAHJRSMUKKR-BRWVUGGUSA-N -1 0 343.810 3.728 20 0 EHADRM CC(C)(C)CC(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000262787345 600597545 /nfs/dbraw/zinc/59/75/45/600597545.db2.gz NWXHPGPJQHAUCS-INIZCTEOSA-N -1 0 327.424 3.636 20 0 EHADRM CN(C(=O)c1cc2ccccc2s1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737336050 600599414 /nfs/dbraw/zinc/59/94/14/600599414.db2.gz IFGYCEFUVSNOKH-INIZCTEOSA-N -1 0 325.389 3.799 20 0 EHADRM CN(C(=O)CSc1ccccc1Cl)[C@H](C(=O)[O-])c1ccccc1 ZINC000737325551 600599632 /nfs/dbraw/zinc/59/96/32/600599632.db2.gz KTUNKTNNUQDPEH-INIZCTEOSA-N -1 0 349.839 3.716 20 0 EHADRM C[C@H](CSCC(=O)Nc1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC000736612679 600602897 /nfs/dbraw/zinc/60/28/97/600602897.db2.gz AEGAICLNVLXRQA-CYBMUJFWSA-N -1 0 345.420 3.871 20 0 EHADRM Cc1cc(C)c2cc(C(=O)N(CC(=O)[O-])c3ccccc3)sc2n1 ZINC000738357516 600604626 /nfs/dbraw/zinc/60/46/26/600604626.db2.gz JIRYFIIMHBZCLM-UHFFFAOYSA-N -1 0 340.404 3.645 20 0 EHADRM C[C@@H](CSCC(=O)Nc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000736612774 600606223 /nfs/dbraw/zinc/60/62/23/600606223.db2.gz DZAYJNDSMZFZFL-ZDUSSCGKSA-N -1 0 329.421 3.746 20 0 EHADRM O=C([O-])CN(CCc1ccc(Cl)cc1Cl)C(=O)CCC1CC1 ZINC000739793359 600607590 /nfs/dbraw/zinc/60/75/90/600607590.db2.gz GIPAYQORBZTJNM-UHFFFAOYSA-N -1 0 344.238 3.639 20 0 EHADRM Cc1ccc(-c2nn(CN(CCC(=O)[O-])C(C)C)c(=S)o2)cc1C ZINC000738490086 600608962 /nfs/dbraw/zinc/60/89/62/600608962.db2.gz HRZUUQIZUSXECB-UHFFFAOYSA-N -1 0 349.456 3.632 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)C[C@H]2CCc3ccccc32)cc1 ZINC000739739003 600609380 /nfs/dbraw/zinc/60/93/80/600609380.db2.gz CHSMSTZEUNBIAC-OAHLLOKOSA-N -1 0 339.391 3.599 20 0 EHADRM CCc1sc(=O)n(Cc2ccc(C(=O)[O-])cc2)c1-c1ccccc1 ZINC000737292264 600612579 /nfs/dbraw/zinc/61/25/79/600612579.db2.gz NRTXJQJCJNWBHW-UHFFFAOYSA-N -1 0 339.416 3.886 20 0 EHADRM C[C@@H](OCc1ccccc1)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000379459429 600622192 /nfs/dbraw/zinc/62/21/92/600622192.db2.gz QTLGHSCLENAHAH-LLVKDONJSA-N -1 0 333.771 3.582 20 0 EHADRM O=C([O-])c1sc(N[C@@H]2CCCN(c3ccccc3)C2)nc1Cl ZINC000740279939 600624539 /nfs/dbraw/zinc/62/45/39/600624539.db2.gz SVIGPBFAAZMJMV-SNVBAGLBSA-N -1 0 337.832 3.576 20 0 EHADRM COc1ccc(-c2cc(COc3cc(C)sc3C(=O)[O-])on2)cc1 ZINC000737910167 600638988 /nfs/dbraw/zinc/63/89/88/600638988.db2.gz VFBMDQUPDNNKAK-UHFFFAOYSA-N -1 0 345.376 3.997 20 0 EHADRM O=C([O-])CNc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 ZINC000738617752 600639959 /nfs/dbraw/zinc/63/99/59/600639959.db2.gz VHMNFGJSGAAATN-UHFFFAOYSA-N -1 0 330.237 3.528 20 0 EHADRM CC(C)[C@H](NC(=O)NCCCCC(=O)[O-])c1ccccc1Cl ZINC000666529893 600643619 /nfs/dbraw/zinc/64/36/19/600643619.db2.gz DTMFXYPYVAZUSG-HNNXBMFYSA-N -1 0 326.824 3.591 20 0 EHADRM CC(C)[C@@H](NC(=O)NCCCCCC(=O)[O-])c1ccccc1Cl ZINC000414620886 600647687 /nfs/dbraw/zinc/64/76/87/600647687.db2.gz FMWSONXVVVKHGC-MRXNPFEDSA-N -1 0 340.851 3.981 20 0 EHADRM CCN(c1ccc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1)C(C)C ZINC000392215003 600653317 /nfs/dbraw/zinc/65/33/17/600653317.db2.gz GMZPGLDQDOFMMH-LSDHHAIUSA-N -1 0 332.444 3.751 20 0 EHADRM CC(C)c1nc2cc(NC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)ccc2o1 ZINC000392165242 600655032 /nfs/dbraw/zinc/65/50/32/600655032.db2.gz DCQFSNIYLLKAQB-NEPJUHHUSA-N -1 0 330.384 3.781 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000832589183 600658764 /nfs/dbraw/zinc/65/87/64/600658764.db2.gz LZRZILAYHAOJNV-DXRVJIQQSA-N -1 0 344.338 3.607 20 0 EHADRM CSc1ccc(O[C@@H](C)C(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC000738212161 600660228 /nfs/dbraw/zinc/66/02/28/600660228.db2.gz JVVHKHOQYGXYBZ-VIFPVBQESA-N -1 0 337.422 3.574 20 0 EHADRM CSc1ccc(O[C@H](C)C(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC000738212159 600660312 /nfs/dbraw/zinc/66/03/12/600660312.db2.gz JVVHKHOQYGXYBZ-SECBINFHSA-N -1 0 337.422 3.574 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NC2(c3ccc(Cl)cc3)CCC2)C1 ZINC000179977928 600660760 /nfs/dbraw/zinc/66/07/60/600660760.db2.gz NJQWEJAYUYNQGL-QWHCGFSZSA-N -1 0 335.831 3.726 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2ccccc2Oc2ccccn2)o1 ZINC000740134903 600661105 /nfs/dbraw/zinc/66/11/05/600661105.db2.gz VGGZGDBQQXOFST-UHFFFAOYSA-N -1 0 339.303 3.522 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000108655945 600661447 /nfs/dbraw/zinc/66/14/47/600661447.db2.gz GXAWPSKZYCAENZ-RKDXNWHRSA-N -1 0 333.281 3.674 20 0 EHADRM CSc1ccc(O[C@@H](C)C(=O)Nc2ccc(C)cc2C(=O)[O-])cc1 ZINC000541588962 600661583 /nfs/dbraw/zinc/66/15/83/600661583.db2.gz QCMZLIJDQAMXMM-LBPRGKRZSA-N -1 0 345.420 3.821 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000262104040 600663020 /nfs/dbraw/zinc/66/30/20/600663020.db2.gz FVSRWIQCDPTZCS-HOTGVXAUSA-N -1 0 327.380 3.521 20 0 EHADRM Cc1ccc(-c2ccncc2)cc1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000738487564 600665460 /nfs/dbraw/zinc/66/54/60/600665460.db2.gz AQBYKUUHYKQCCL-DLBZAZTESA-N -1 0 338.407 3.887 20 0 EHADRM Cc1cccc(C2(NC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)CCCC2)c1 ZINC000498635098 600665890 /nfs/dbraw/zinc/66/58/90/600665890.db2.gz NCVJMUWXPOZVIG-JKSUJKDBSA-N -1 0 329.440 3.772 20 0 EHADRM CN(Cc1nc2ccccc2n1C(F)F)[C@H](C(=O)[O-])c1ccccc1 ZINC000737496867 600672514 /nfs/dbraw/zinc/67/25/14/600672514.db2.gz PQGSOEQTMDLZJD-INIZCTEOSA-N -1 0 345.349 3.689 20 0 EHADRM C[C@H](CC(=O)O[C@H](C(=O)[O-])c1ccccc1F)c1cccc(F)c1 ZINC000827392105 600677240 /nfs/dbraw/zinc/67/72/40/600677240.db2.gz SHDNNYOUVYRBGZ-DIFFPNOSSA-N -1 0 334.318 3.828 20 0 EHADRM Cc1noc(C)c1CNc1cc(C(=O)[O-])c(F)cc1Br ZINC000738945519 600678174 /nfs/dbraw/zinc/67/81/74/600678174.db2.gz XSBMYNAUUBGBBO-UHFFFAOYSA-N -1 0 343.152 3.503 20 0 EHADRM C[C@@H](Cc1ccccc1F)C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000827593012 600679603 /nfs/dbraw/zinc/67/96/03/600679603.db2.gz YLFRTZUXEWUAGR-ZBEGNZNMSA-N -1 0 334.318 3.513 20 0 EHADRM CCc1ocnc1C(=O)O[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000830402929 600679798 /nfs/dbraw/zinc/67/97/98/600679798.db2.gz DYWUATBNEQJJEQ-GFCCVEGCSA-N -1 0 344.150 3.527 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000739892363 600686155 /nfs/dbraw/zinc/68/61/55/600686155.db2.gz PAFPMIAANJHYMN-HUUCEWRRSA-N -1 0 330.767 3.676 20 0 EHADRM O=C([O-])Cc1ccccc1OC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000739892356 600686349 /nfs/dbraw/zinc/68/63/49/600686349.db2.gz PAFPMIAANJHYMN-CABCVRRESA-N -1 0 330.767 3.676 20 0 EHADRM CC(C)c1ccc(N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)cc1 ZINC000827125206 600690722 /nfs/dbraw/zinc/69/07/22/600690722.db2.gz ZECRKLZTZIEJBV-OAHLLOKOSA-N -1 0 344.436 3.787 20 0 EHADRM O=C([O-])c1ccc(-c2noc([C@@H]3SCCc4ccccc43)n2)cc1 ZINC000833307324 600692748 /nfs/dbraw/zinc/69/27/48/600692748.db2.gz FGFILUJFUUTAHJ-OAHLLOKOSA-N -1 0 338.388 3.814 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC000261634517 600698587 /nfs/dbraw/zinc/69/85/87/600698587.db2.gz IBNQQKIMNMFFSX-ZJUUUORDSA-N -1 0 345.226 3.561 20 0 EHADRM O=C([O-])c1cccc(-c2noc(C[C@H]3CCc4ccccc4C3)n2)c1 ZINC000833328116 600700956 /nfs/dbraw/zinc/70/09/56/600700956.db2.gz WJFPBEJCTOXIMI-ZDUSSCGKSA-N -1 0 334.375 3.782 20 0 EHADRM COc1ccc2sc(C(=O)OCc3occc3C(=O)[O-])c(C)c2c1 ZINC000832510462 600704304 /nfs/dbraw/zinc/70/43/04/600704304.db2.gz ONAAMYGWZXVHJQ-UHFFFAOYSA-N -1 0 346.360 3.867 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)cc1 ZINC000238065306 600706416 /nfs/dbraw/zinc/70/64/16/600706416.db2.gz PRHFPZPMPQZRDN-DENIHFKCSA-N -1 0 349.430 3.937 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@H]2C[C@]23CCCc2ccccc23)cc1 ZINC000238065393 600706454 /nfs/dbraw/zinc/70/64/54/600706454.db2.gz PRHFPZPMPQZRDN-KNQAVFIVSA-N -1 0 349.430 3.937 20 0 EHADRM C[C@@H](OC(=O)[C@@H](C)CC(=O)c1cccc(F)c1)c1ccc(C(=O)[O-])o1 ZINC000827392235 600708385 /nfs/dbraw/zinc/70/83/85/600708385.db2.gz WCYLSTQWJIKIHI-WDEREUQCSA-N -1 0 348.326 3.630 20 0 EHADRM Cc1cc(COC(=O)[C@H](C)CCc2ccccc2F)oc1C(=O)[O-] ZINC000832885329 600722007 /nfs/dbraw/zinc/72/20/07/600722007.db2.gz MNXXAVZXUVJWPI-LLVKDONJSA-N -1 0 334.343 3.737 20 0 EHADRM Cc1nc(C2CCCC2)sc1C(=O)OCc1ccoc1C(=O)[O-] ZINC000832997381 600724923 /nfs/dbraw/zinc/72/49/23/600724923.db2.gz YDLSRBRUVHFIAN-UHFFFAOYSA-N -1 0 335.381 3.757 20 0 EHADRM CC(C)c1ccc([C@H]2C[C@H]2C(=O)OCc2ccoc2C(=O)[O-])cc1 ZINC000736512635 600734206 /nfs/dbraw/zinc/73/42/06/600734206.db2.gz KLFLSRKMLXYAIV-HZPDHXFCSA-N -1 0 328.364 3.948 20 0 EHADRM O=C([O-])[C@@H](NCc1ccc(Cl)nc1)c1ccc(Cl)cc1Cl ZINC000833167102 600741492 /nfs/dbraw/zinc/74/14/92/600741492.db2.gz XOYVVHFBAAOYPC-ZDUSSCGKSA-N -1 0 345.613 3.957 20 0 EHADRM C[C@H](CCOc1ccccc1)C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC000827421942 600741958 /nfs/dbraw/zinc/74/19/58/600741958.db2.gz FTCWSWIRTVHGLK-CQSZACIVSA-N -1 0 328.364 3.533 20 0 EHADRM CC(C)C[C@H]1CCCCCN1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000736428892 600744080 /nfs/dbraw/zinc/74/40/80/600744080.db2.gz XUDKJJFNGWKOQX-MRXNPFEDSA-N -1 0 348.443 3.973 20 0 EHADRM C[C@@H]1C[C@H](C)N(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)C1 ZINC000736755190 600746617 /nfs/dbraw/zinc/74/66/17/600746617.db2.gz KZDCWLGLUGCJIK-OLZOCXBDSA-N -1 0 336.457 3.657 20 0 EHADRM CCO[C@@H]1C[C@@H](OC(=O)c2cccc(NC(=O)[O-])c2)C12CCCC2 ZINC000737164445 600756075 /nfs/dbraw/zinc/75/60/75/600756075.db2.gz DTDVZUDWUSCACD-HUUCEWRRSA-N -1 0 333.384 3.671 20 0 EHADRM CCO[C@H]1C[C@H](OC(=O)c2cccc(NC(=O)[O-])c2)C12CCCC2 ZINC000737164444 600756120 /nfs/dbraw/zinc/75/61/20/600756120.db2.gz DTDVZUDWUSCACD-GJZGRUSLSA-N -1 0 333.384 3.671 20 0 EHADRM CC(C)(CC(=O)[O-])NC(=O)c1ccc(SCc2ccccc2)cc1 ZINC000736311014 600777581 /nfs/dbraw/zinc/77/75/81/600777581.db2.gz DZSRIMVFQCLYLP-UHFFFAOYSA-N -1 0 343.448 3.962 20 0 EHADRM Cc1ccc(NC(=O)CN(C)C(=O)[O-])cc1OCC1CCCCC1 ZINC000738622279 600784492 /nfs/dbraw/zinc/78/44/92/600784492.db2.gz UUOLHYDRWRNHNO-UHFFFAOYSA-N -1 0 334.416 3.502 20 0 EHADRM CCCc1c(C(=O)Nc2cc(F)c(F)c(F)c2)[nH]c(C)c1C(=O)[O-] ZINC000737043196 600788069 /nfs/dbraw/zinc/78/80/69/600788069.db2.gz HSTMFNOFPJTTCB-UHFFFAOYSA-N -1 0 340.301 3.643 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)[C@@H]2C[C@]23CCc2ccccc23)c1 ZINC000833298300 600788142 /nfs/dbraw/zinc/78/81/42/600788142.db2.gz XDKOKUQEMWPDDU-LPHOPBHVSA-N -1 0 341.794 3.881 20 0 EHADRM O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)CCC1CCCC1 ZINC000238139017 600792950 /nfs/dbraw/zinc/79/29/50/600792950.db2.gz GFCXCEBHAZPWRQ-UHFFFAOYSA-N -1 0 339.382 3.739 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCc1ccccc1F)c1cccc(Cl)c1 ZINC000776675220 600799543 /nfs/dbraw/zinc/79/95/43/600799543.db2.gz ZXHLQNPBELYSDA-INIZCTEOSA-N -1 0 349.789 3.744 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)[C@H]1CCc2ccccc21)c1cccc(Cl)c1 ZINC000776673592 600801757 /nfs/dbraw/zinc/80/17/57/600801757.db2.gz NPJGTHKKRIGOEJ-DLBZAZTESA-N -1 0 343.810 3.702 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCc1ccccc1)c1cccc(Cl)c1 ZINC000776675042 600805248 /nfs/dbraw/zinc/80/52/48/600805248.db2.gz YGZIROOAPCDANN-INIZCTEOSA-N -1 0 331.799 3.605 20 0 EHADRM Cc1cccc([C@H](C)CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC000738690457 600810033 /nfs/dbraw/zinc/81/00/33/600810033.db2.gz KFRAOISUCIHPCD-GFCCVEGCSA-N -1 0 330.359 3.758 20 0 EHADRM Cc1ccc(N2CC[C@H](SCc3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000738615498 600817840 /nfs/dbraw/zinc/81/78/40/600817840.db2.gz OJWDWLNGMGIRPG-KRWDZBQOSA-N -1 0 341.432 3.732 20 0 EHADRM C[C@@H](S[C@@H](C)CC(=O)[O-])c1nc(Cc2ccc(Cl)cc2)no1 ZINC000736550984 600818245 /nfs/dbraw/zinc/81/82/45/600818245.db2.gz IOLWWKBLSJVKMX-VHSXEESVSA-N -1 0 340.832 3.971 20 0 EHADRM CCN(Cc1csc(-c2cccc(C(=O)[O-])c2)n1)C[C@H]1CCCO1 ZINC000568059924 600820221 /nfs/dbraw/zinc/82/02/21/600820221.db2.gz LWFLDJFZLCJULT-MRXNPFEDSA-N -1 0 346.452 3.509 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000120245063 600823307 /nfs/dbraw/zinc/82/33/07/600823307.db2.gz LGENKTCVPDUUAQ-TZMCWYRMSA-N -1 0 331.318 3.714 20 0 EHADRM O=C([O-])c1cc(NCc2ncc(-c3ccccc3F)o2)ccc1F ZINC000833301401 600826351 /nfs/dbraw/zinc/82/63/51/600826351.db2.gz YSGLCUGEVNVMSR-UHFFFAOYSA-N -1 0 330.290 3.930 20 0 EHADRM Cc1cccc2c(CCC(=O)N3CCc4cc(C(=O)[O-])ccc43)c[nH]c21 ZINC000738747166 600828754 /nfs/dbraw/zinc/82/87/54/600828754.db2.gz CPZLCBKEWXCANS-UHFFFAOYSA-N -1 0 348.402 3.696 20 0 EHADRM C[C@@H]1[C@H](C)SCCN1Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000567510128 600831708 /nfs/dbraw/zinc/83/17/08/600831708.db2.gz WDTBMGOTWGQXFV-NEPJUHHUSA-N -1 0 348.493 3.834 20 0 EHADRM Cc1occc1-c1nnc(S[C@@H](C(=O)[O-])c2ccccc2F)o1 ZINC000833030522 600834076 /nfs/dbraw/zinc/83/40/76/600834076.db2.gz XTDNWOYYGQPIIK-GFCCVEGCSA-N -1 0 334.328 3.695 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CN1C[C@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000566361306 600834984 /nfs/dbraw/zinc/83/49/84/600834984.db2.gz IACBWLLVBZTAIH-AUUYWEPGSA-N -1 0 343.423 3.865 20 0 EHADRM Cc1cc(CN2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)oc1C(=O)[O-] ZINC000519710069 600835171 /nfs/dbraw/zinc/83/51/71/600835171.db2.gz UMUKEBUJJAVKMG-YJBOKZPZSA-N -1 0 343.423 3.865 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)cc1 ZINC000737328791 600835921 /nfs/dbraw/zinc/83/59/21/600835921.db2.gz JQHUBZOUIKIYTB-DZGCQCFKSA-N -1 0 346.333 3.821 20 0 EHADRM O=C([O-])c1ccc(CSc2nnc(CCc3ccccc3)o2)cc1 ZINC000819691743 600845447 /nfs/dbraw/zinc/84/54/47/600845447.db2.gz VEBPDWDSTJQIET-UHFFFAOYSA-N -1 0 340.404 3.845 20 0 EHADRM C[C@H](CC(=O)NC(C)(C)CC(=O)[O-])c1ccccc1C(F)(F)F ZINC000736541572 600845415 /nfs/dbraw/zinc/84/54/15/600845415.db2.gz LYCCVEPWHQWBFR-SNVBAGLBSA-N -1 0 331.334 3.569 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)c2sccc2C2CC2)c2ccccc21 ZINC000739653209 600847351 /nfs/dbraw/zinc/84/73/51/600847351.db2.gz JYUSYNQSNRAYDV-LBPRGKRZSA-N -1 0 327.405 3.844 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000238160651 600847875 /nfs/dbraw/zinc/84/78/75/600847875.db2.gz VJGGUCRSGGGOFK-UHFFFAOYSA-N -1 0 344.386 3.626 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)c2ccccc2OC(F)F)c2ccccc21 ZINC000393049986 600854149 /nfs/dbraw/zinc/85/41/49/600854149.db2.gz NVQIGPSMAVAKND-NSHDSACASA-N -1 0 347.317 3.507 20 0 EHADRM Cc1c(Br)cccc1C(=O)NCCCCCCC(=O)[O-] ZINC000088440205 600856030 /nfs/dbraw/zinc/85/60/30/600856030.db2.gz IBAMZTMCYJHXHF-UHFFFAOYSA-N -1 0 342.233 3.522 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)c2cc(Cl)ccc2F)c2ccccc21 ZINC000321500905 600857220 /nfs/dbraw/zinc/85/72/20/600857220.db2.gz ZAUJAWFGPGVNFT-SNVBAGLBSA-N -1 0 333.746 3.698 20 0 EHADRM C[C@H](CC(=O)N1C[C@H](CC(=O)[O-])c2ccccc21)c1ccc(F)cc1 ZINC000736545551 600859245 /nfs/dbraw/zinc/85/92/45/600859245.db2.gz RYBHPXAMYVSTFR-HIFRSBDPSA-N -1 0 341.382 3.924 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N3CCCC[C@H]3C(=O)[O-])o2)cc1 ZINC000236985376 600867822 /nfs/dbraw/zinc/86/78/22/600867822.db2.gz LTWCZPXTRRYPFZ-HNNXBMFYSA-N -1 0 327.380 3.588 20 0 EHADRM O=C([O-])Cc1sc(NC(=O)CC2CCC2)nc1-c1ccccc1 ZINC000833270134 600868159 /nfs/dbraw/zinc/86/81/59/600868159.db2.gz LKMBZCJXZBKJOY-UHFFFAOYSA-N -1 0 330.409 3.566 20 0 EHADRM Cc1cc2cc(C(=O)N[C@H](C(=O)[O-])c3cccs3)oc2cc1C ZINC000832906049 600869976 /nfs/dbraw/zinc/86/99/76/600869976.db2.gz QMUFLLKIODOQOP-HNNXBMFYSA-N -1 0 329.377 3.667 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(C)cc(F)c2)cc1 ZINC000237361192 600874954 /nfs/dbraw/zinc/87/49/54/600874954.db2.gz QIQNRICOKAWRQP-INIZCTEOSA-N -1 0 347.411 3.802 20 0 EHADRM Cc1ccccc1CCC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000261601978 600878940 /nfs/dbraw/zinc/87/89/40/600878940.db2.gz BRDHBZNLMHYABA-UHFFFAOYSA-N -1 0 325.408 3.929 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@@H]2Cc3ccccc3S2)cc1 ZINC000261602670 600880719 /nfs/dbraw/zinc/88/07/19/600880719.db2.gz BVOFTTQULRHALT-INIZCTEOSA-N -1 0 341.432 3.704 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)CCOc2ccc(F)cc2)cc1 ZINC000393006007 600881289 /nfs/dbraw/zinc/88/12/89/600881289.db2.gz AISJLIMDBQFAOU-UHFFFAOYSA-N -1 0 345.370 3.596 20 0 EHADRM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000262709435 600882060 /nfs/dbraw/zinc/88/20/60/600882060.db2.gz FBKXGZDJNMOINV-CZUORRHYSA-N -1 0 333.428 3.583 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccc(OC3CCCC3)cc2)C1 ZINC000179958352 600882742 /nfs/dbraw/zinc/88/27/42/600882742.db2.gz XLAHCYOKTNBJLE-UONOGXRCSA-N -1 0 331.412 3.838 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cccc3cccnc32)cc1 ZINC000327177983 600883177 /nfs/dbraw/zinc/88/31/77/600883177.db2.gz MYMQZPVYBAQTRL-UHFFFAOYSA-N -1 0 334.375 3.849 20 0 EHADRM C/C(=C/C(=O)NC(C)(C)CCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000236636032 600883481 /nfs/dbraw/zinc/88/34/81/600883481.db2.gz LEWYZARZTXLLDW-LUAWRHEFSA-N -1 0 343.345 3.868 20 0 EHADRM C[C@]1(C(=O)Nc2ccc(CNC(=O)[O-])cc2)CCc2ccccc2C1 ZINC000827976111 600887926 /nfs/dbraw/zinc/88/79/26/600887926.db2.gz JCEJJTPOPXKKON-FQEVSTJZSA-N -1 0 338.407 3.588 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000179964344 600896680 /nfs/dbraw/zinc/89/66/80/600896680.db2.gz SNCVVWVZHUNAFM-NEPJUHHUSA-N -1 0 339.819 3.958 20 0 EHADRM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000314220731 600900673 /nfs/dbraw/zinc/90/06/73/600900673.db2.gz MFUNHSYTEKIAEZ-VIFPVBQESA-N -1 0 339.800 3.814 20 0 EHADRM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000035424935 600901439 /nfs/dbraw/zinc/90/14/39/600901439.db2.gz NNUPDEXSBORBBJ-QMMMGPOBSA-N -1 0 325.773 3.506 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000439811429 600901756 /nfs/dbraw/zinc/90/17/56/600901756.db2.gz VCTLFDVHQDBSQO-YVEFUNNKSA-N -1 0 327.355 3.747 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)s1 ZINC000833120080 600902271 /nfs/dbraw/zinc/90/22/71/600902271.db2.gz OSQSPQWAYWZVIE-UHFFFAOYSA-N -1 0 344.417 3.751 20 0 EHADRM Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc(C(=O)[O-])s1 ZINC000833005810 600903961 /nfs/dbraw/zinc/90/39/61/600903961.db2.gz HAUYPXLVCVKDLP-UHFFFAOYSA-N -1 0 340.404 3.793 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)c2csc3c2CCCC3)c2ccccc21 ZINC000325346689 600908022 /nfs/dbraw/zinc/90/80/22/600908022.db2.gz LRPGVTVRPQSGQK-GFCCVEGCSA-N -1 0 341.432 3.846 20 0 EHADRM COc1ccc(N(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)[C@@H](C)C2CC2)cc1 ZINC000179991564 600917622 /nfs/dbraw/zinc/91/76/22/600917622.db2.gz MRAFVUVASRHQLQ-IMJJTQAJSA-N -1 0 345.439 3.718 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000553755523 600918335 /nfs/dbraw/zinc/91/83/35/600918335.db2.gz PJGUQPYGVUFIEE-CEXWTWQISA-N -1 0 339.435 3.806 20 0 EHADRM CCC(CC)(NC(=O)c1cnc(-c2ccc(C)cc2C)s1)C(=O)[O-] ZINC000675089408 600925853 /nfs/dbraw/zinc/92/58/53/600925853.db2.gz FFOBIHQASBIHOG-UHFFFAOYSA-N -1 0 346.452 3.800 20 0 EHADRM CCCC[C@H](Sc1ncnc2c1cnn2-c1ccccc1)C(=O)[O-] ZINC000102975045 600935106 /nfs/dbraw/zinc/93/51/06/600935106.db2.gz QOFYINVGEWTALK-AWEZNQCLSA-N -1 0 342.424 3.551 20 0 EHADRM CCCC[C@H](Sc1nnc(-c2ccccc2OCC)o1)C(=O)[O-] ZINC000736986092 600936061 /nfs/dbraw/zinc/93/60/61/600936061.db2.gz STGUQOXQRFJAHO-ZDUSSCGKSA-N -1 0 336.413 3.871 20 0 EHADRM CCCC[C@@H](Sc1nnc(-c2sc(C)nc2C)o1)C(=O)[O-] ZINC000736983544 600937011 /nfs/dbraw/zinc/93/70/11/600937011.db2.gz ANIDQQSPVMEBTC-SECBINFHSA-N -1 0 327.431 3.545 20 0 EHADRM CCCc1ncc(C(=O)Oc2cc(Cl)ccc2C(=O)[O-])s1 ZINC000829570879 600939069 /nfs/dbraw/zinc/93/90/69/600939069.db2.gz KSETZXSFFSDGFI-UHFFFAOYSA-N -1 0 325.773 3.666 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)c2cccc(-c3cscn3)c2)cc1 ZINC000833267254 600939501 /nfs/dbraw/zinc/93/95/01/600939501.db2.gz SITCZRYBLQYTDE-UHFFFAOYSA-N -1 0 339.372 3.656 20 0 EHADRM O=C([O-])c1cccc(COC(=O)[C@@H]2SCCc3sccc32)c1 ZINC000833329079 600945169 /nfs/dbraw/zinc/94/51/69/600945169.db2.gz YBODYLXZQLWKKP-CQSZACIVSA-N -1 0 334.418 3.520 20 0 EHADRM COC(=O)c1cc(NC(=O)C[C@H](C)C2CCCCC2)ccc1C(=O)[O-] ZINC000831264687 600946569 /nfs/dbraw/zinc/94/65/69/600946569.db2.gz LYOBJSSRSMUUED-LBPRGKRZSA-N -1 0 347.411 3.716 20 0 EHADRM CC(C)C[C@@H](OC(=O)C[C@H](c1ccccc1)C(F)(F)F)C(=O)[O-] ZINC000826813228 600949887 /nfs/dbraw/zinc/94/98/87/600949887.db2.gz NEUDATYSZLDOLR-CHWSQXEVSA-N -1 0 332.318 3.765 20 0 EHADRM CC(C)C[C@@H](OC(=O)c1csc(-c2cccs2)n1)C(=O)[O-] ZINC000826819250 600950208 /nfs/dbraw/zinc/95/02/08/600950208.db2.gz HUSLEUFMAHVYHQ-SNVBAGLBSA-N -1 0 325.411 3.528 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccc(Oc3ccccn3)cc2)C1 ZINC000833188313 600952367 /nfs/dbraw/zinc/95/23/67/600952367.db2.gz YHHZWDRDODYIQQ-KBPBESRZSA-N -1 0 340.379 3.703 20 0 EHADRM CC(C)c1ccc(CCCNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000498614985 600957691 /nfs/dbraw/zinc/95/76/91/600957691.db2.gz HSOXLAHUVKCQAG-MSOLQXFVSA-N -1 0 331.456 3.750 20 0 EHADRM O=C([O-])C[C@H]1CN(CCOc2ccccc2Cl)c2ccccc21 ZINC000321720085 600958774 /nfs/dbraw/zinc/95/87/74/600958774.db2.gz HGASXJVJMFAHEB-ZDUSSCGKSA-N -1 0 331.799 3.797 20 0 EHADRM C[C@@H]1SCCN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)[C@@H]1c1ccccc1 ZINC000180126957 600959286 /nfs/dbraw/zinc/95/92/86/600959286.db2.gz CRVWMXFWZAQGRO-ORQFMDKSSA-N -1 0 347.480 3.583 20 0 EHADRM O=C([O-])C[C@@H]1CN(CCSc2ccccc2F)c2ccccc21 ZINC000321118309 600960173 /nfs/dbraw/zinc/96/01/73/600960173.db2.gz HJJJJECXESHEBV-CYBMUJFWSA-N -1 0 331.412 3.996 20 0 EHADRM CCO[C@H]1C[C@@H](OC(=O)c2ccc(C(=O)[O-])s2)C12CCCCC2 ZINC000829931960 600961063 /nfs/dbraw/zinc/96/10/63/600961063.db2.gz YIODDTAACMTSGA-UONOGXRCSA-N -1 0 338.425 3.731 20 0 EHADRM CCO[C@H]1C[C@@H](OC(=O)c2ccc(C(=O)[O-])cc2)C12CCCCC2 ZINC000829930928 600961181 /nfs/dbraw/zinc/96/11/81/600961181.db2.gz FRGSPVWIZDGGOL-JKSUJKDBSA-N -1 0 332.396 3.670 20 0 EHADRM O=C([O-])C[C@H]1CN(Cc2cc(F)cc3cccnc32)c2ccccc21 ZINC000327232429 600963631 /nfs/dbraw/zinc/96/36/31/600963631.db2.gz XSJLGAXKYPPZJJ-AWEZNQCLSA-N -1 0 336.366 3.952 20 0 EHADRM Cc1sc(NC(=O)[C@H]2C[C@]23CCc2ccccc23)c(C(=O)[O-])c1C ZINC000833034446 600964647 /nfs/dbraw/zinc/96/46/47/600964647.db2.gz UVYHVGBEOZABFH-KUHUBIRLSA-N -1 0 341.432 3.906 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)[C@@H](c1ccccc1)C(C)C ZINC000831913441 600965007 /nfs/dbraw/zinc/96/50/07/600965007.db2.gz PTVDHFKPLUOOLQ-QGZVFWFLSA-N -1 0 328.364 3.739 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccc(COC3CCCC3)cc2)C1 ZINC000180015364 600965287 /nfs/dbraw/zinc/96/52/87/600965287.db2.gz KHIMPLDKKOZOAF-HOTGVXAUSA-N -1 0 345.439 3.975 20 0 EHADRM O=C([O-])c1sccc1NC(=O)c1ccc(F)c(Br)c1 ZINC000236485536 600965355 /nfs/dbraw/zinc/96/53/55/600965355.db2.gz UXNNWKNCLOCOKA-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM Cc1cc(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)sc1C(=O)[O-] ZINC000832892776 600965645 /nfs/dbraw/zinc/96/56/45/600965645.db2.gz DYKFVDXFENHFIQ-AUUYWEPGSA-N -1 0 341.432 3.987 20 0 EHADRM O=C([O-])c1sccc1NC(=O)c1cccc(-c2cscn2)c1 ZINC000833162213 600966455 /nfs/dbraw/zinc/96/64/55/600966455.db2.gz VZYCTWJWYURDLR-UHFFFAOYSA-N -1 0 330.390 3.822 20 0 EHADRM O=C([O-])c1sccc1NC(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000833348076 600966555 /nfs/dbraw/zinc/96/65/55/600966555.db2.gz NCUIJKGSAMHRMD-UGSOOPFHSA-N -1 0 327.405 3.679 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1C ZINC000245683996 600968632 /nfs/dbraw/zinc/96/86/32/600968632.db2.gz JGGZUJWABGXMIZ-JZXOWHBKSA-N -1 0 329.440 3.858 20 0 EHADRM C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-])C(F)(F)F ZINC000826011644 600970242 /nfs/dbraw/zinc/97/02/42/600970242.db2.gz BNROAWSZQFYHAM-YFKPBYRVSA-N -1 0 329.196 3.541 20 0 EHADRM Cc1ccccc1[C@H]1CN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CCO1 ZINC000519646288 600971145 /nfs/dbraw/zinc/97/11/45/600971145.db2.gz UKTXREQLCAHEFT-QZTJIDSGSA-N -1 0 345.826 3.848 20 0 EHADRM Cc1cc2c(cc1C)O[C@H](C(=O)Oc1ccc(Cl)cc1C(=O)[O-])C2 ZINC000832905835 600972043 /nfs/dbraw/zinc/97/20/43/600972043.db2.gz LRDINAUAXLUTGL-INIZCTEOSA-N -1 0 346.766 3.564 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccc(SC(F)F)cc1)C(=O)[O-] ZINC000818622810 600993637 /nfs/dbraw/zinc/99/36/37/600993637.db2.gz DQBIGSPTAYAONZ-SNVBAGLBSA-N -1 0 346.399 3.870 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000094704844 600994175 /nfs/dbraw/zinc/99/41/75/600994175.db2.gz BCFUNHNGIRWWON-SECBINFHSA-N -1 0 333.215 3.862 20 0 EHADRM COc1cccc(NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000325439596 600994632 /nfs/dbraw/zinc/99/46/32/600994632.db2.gz MWSDSRKRKBNCQR-UHFFFAOYSA-N -1 0 328.368 3.701 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)N3CCc4cc(C(=O)[O-])ccc43)c2c1 ZINC000776596308 600995283 /nfs/dbraw/zinc/99/52/83/600995283.db2.gz YKOXDYSXUIBWSZ-UHFFFAOYSA-N -1 0 348.402 3.696 20 0 EHADRM C[C@H](C(=O)NC1(C(=O)[O-])CCCCC1)c1ccccc1C(F)(F)F ZINC000736212204 600999626 /nfs/dbraw/zinc/99/96/26/600999626.db2.gz RJEDLASLHQBGEO-NSHDSACASA-N -1 0 343.345 3.713 20 0 EHADRM O=C([O-])C1(NC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CCCC1 ZINC000237943500 601000976 /nfs/dbraw/zinc/00/09/76/601000976.db2.gz TUVPMDSCIJHSTR-QWHCGFSZSA-N -1 0 342.222 3.611 20 0 EHADRM CCC[C@@](C)(NC(=O)/C=C(\C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000736954516 601001468 /nfs/dbraw/zinc/00/14/68/601001468.db2.gz LWCRNUMUFRBDLY-SIFUEBAJSA-N -1 0 343.345 3.868 20 0 EHADRM O=C([O-])c1c(NC(=O)CCn2cccc2)sc2c1CCCCC2 ZINC000833104037 601001596 /nfs/dbraw/zinc/00/15/96/601001596.db2.gz SLXSBAXZMBEVKE-UHFFFAOYSA-N -1 0 332.425 3.546 20 0 EHADRM C[C@H](C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)c1cccc(Cl)c1 ZINC000345783850 601003496 /nfs/dbraw/zinc/00/34/96/601003496.db2.gz SLZYGWXQLWXRQG-MZGVZZPPSA-N -1 0 335.831 3.688 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@H]2C[C@@H]2Cc2ccccc2)ccc1Cl ZINC000833158634 601014560 /nfs/dbraw/zinc/01/45/60/601014560.db2.gz LTLPVMNEOQAYPJ-LRDDRELGSA-N -1 0 344.798 3.791 20 0 EHADRM Cc1cnc([C@@H](NC(=O)Nc2cccc(C(=O)[O-])c2C)C2CC2)s1 ZINC000832985876 601015942 /nfs/dbraw/zinc/01/59/42/601015942.db2.gz QFKIWRWPKRNJHG-AWEZNQCLSA-N -1 0 345.424 3.731 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1ccccc1OC1CCCC1)C(=O)[O-] ZINC000826775084 601021648 /nfs/dbraw/zinc/02/16/48/601021648.db2.gz BGCFPUKICKUUEV-AWEZNQCLSA-N -1 0 348.443 3.876 20 0 EHADRM Cc1ccccc1O[C@@H](C)CNC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000832979060 601023839 /nfs/dbraw/zinc/02/38/39/601023839.db2.gz GKFDCBQCDSZFFP-ZDUSSCGKSA-N -1 0 343.383 3.674 20 0 EHADRM C[C@@H](C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21)c1cccc(F)c1 ZINC000736200908 601025040 /nfs/dbraw/zinc/02/50/40/601025040.db2.gz SHDJWJVEHHUMOI-TZMCWYRMSA-N -1 0 327.355 3.534 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1cccc(N2CCCCC2)c1)C(=O)[O-] ZINC000818623393 601028132 /nfs/dbraw/zinc/02/81/32/601028132.db2.gz JNDGQAMIBYZHJH-HNNXBMFYSA-N -1 0 347.459 3.545 20 0 EHADRM CCSCC[C@H](C)N(C)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000830164047 601030211 /nfs/dbraw/zinc/03/02/11/601030211.db2.gz NUWDKSVDJMCMLY-LBPRGKRZSA-N -1 0 339.461 3.796 20 0 EHADRM CCc1[nH]c(C(=O)N(C)[C@H](CC)Cc2ccccc2)c(C)c1C(=O)[O-] ZINC000737237214 601030521 /nfs/dbraw/zinc/03/05/21/601030521.db2.gz FJZJRWKOJGUFND-OAHLLOKOSA-N -1 0 342.439 3.677 20 0 EHADRM C[C@@H]1CCC[C@H](C)CN1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000828240447 601035113 /nfs/dbraw/zinc/03/51/13/601035113.db2.gz WAUVSIIXIRBPFP-UONOGXRCSA-N -1 0 334.416 3.583 20 0 EHADRM O=C([O-])c1cnc(N(C(=O)c2cccc(C(F)F)c2)C2CC2)s1 ZINC000740260281 601040128 /nfs/dbraw/zinc/04/01/28/601040128.db2.gz PKPRQSIIZQYDSM-UHFFFAOYSA-N -1 0 338.335 3.588 20 0 EHADRM CCSCC[C@H](C)N(C)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000830164006 601046687 /nfs/dbraw/zinc/04/66/87/601046687.db2.gz MADCVZDQHZDLPB-ZDUSSCGKSA-N -1 0 338.473 3.699 20 0 EHADRM C[C@]1(c2ccccc2)C[C@H]1NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000828121002 601055410 /nfs/dbraw/zinc/05/54/10/601055410.db2.gz ATHGNOUYNRPMDO-CRAIPNDOSA-N -1 0 344.798 3.890 20 0 EHADRM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000828121003 601055439 /nfs/dbraw/zinc/05/54/39/601055439.db2.gz ATHGNOUYNRPMDO-MAUKXSAKSA-N -1 0 344.798 3.890 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(N3CCCCC3)cc2)ccc1F ZINC000833156105 601056917 /nfs/dbraw/zinc/05/69/17/601056917.db2.gz AWKSFXRNONFPFP-UHFFFAOYSA-N -1 0 342.370 3.767 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cc2c(s1)CCCC2)c1ccccc1F ZINC000833350670 601058913 /nfs/dbraw/zinc/05/89/13/601058913.db2.gz FPXIAKZKJPNCMW-OAHLLOKOSA-N -1 0 334.368 3.749 20 0 EHADRM Cc1ccc(C)c(SCC(=O)O[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000832925085 601062869 /nfs/dbraw/zinc/06/28/69/601062869.db2.gz FTPXWIONBIKDAK-KRWDZBQOSA-N -1 0 348.395 3.904 20 0 EHADRM COc1ccc2sc(C(=O)NC[C@H](CC(C)C)C(=O)[O-])c(C)c2c1 ZINC000262559226 601063444 /nfs/dbraw/zinc/06/34/44/601063444.db2.gz ZCHWUVXNTSZPST-LBPRGKRZSA-N -1 0 349.452 3.695 20 0 EHADRM O=C([O-])[C@@H](OC(=O)/C=C\c1ccco1)c1ccc(Cl)cc1Cl ZINC000833095572 601064031 /nfs/dbraw/zinc/06/40/31/601064031.db2.gz UJFYPWBREKEBOM-SDQPKGBYSA-N -1 0 341.146 3.969 20 0 EHADRM Cc1ccc(C)c(OCCC(=O)O[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000832926014 601065950 /nfs/dbraw/zinc/06/59/50/601065950.db2.gz BGNGLFFHPFFJTB-SFHVURJKSA-N -1 0 346.354 3.581 20 0 EHADRM CCCCc1ccc(CC(=O)NC[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000327394468 601067359 /nfs/dbraw/zinc/06/73/59/601067359.db2.gz ZCIXQJUMLVLJIR-IBGZPJMESA-N -1 0 339.435 3.556 20 0 EHADRM CCCc1sc(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)cc1CC ZINC000324712746 601068248 /nfs/dbraw/zinc/06/82/48/601068248.db2.gz DMNJCQBSEVUIDW-HNNXBMFYSA-N -1 0 345.464 3.861 20 0 EHADRM CCCn1ccc2ccc(NC(=O)N3CCC(CC(=O)[O-])CC3)cc21 ZINC000829585288 601070956 /nfs/dbraw/zinc/07/09/56/601070956.db2.gz LOQPRGFQDZEVGE-UHFFFAOYSA-N -1 0 343.427 3.770 20 0 EHADRM CC[C@H](CC(=O)NC[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000262499064 601072331 /nfs/dbraw/zinc/07/23/31/601072331.db2.gz NGPJRFMLLZUFQX-QAPCUYQASA-N -1 0 325.408 3.555 20 0 EHADRM CC[C@@H](CC(=O)NC[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000262499065 601072338 /nfs/dbraw/zinc/07/23/38/601072338.db2.gz NGPJRFMLLZUFQX-YJBOKZPZSA-N -1 0 325.408 3.555 20 0 EHADRM O=C([O-])C1CCC(NC(=O)Nc2ccc(CC(F)(F)F)cc2)CC1 ZINC000821466409 601073360 /nfs/dbraw/zinc/07/33/60/601073360.db2.gz YZRUKIQJYPTDJZ-UHFFFAOYSA-N -1 0 344.333 3.556 20 0 EHADRM C[C@H](Oc1ccccc1)C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC000827894865 601076624 /nfs/dbraw/zinc/07/66/24/601076624.db2.gz BCIRVFMATGHYSI-JTQLQIEISA-N -1 0 348.424 3.545 20 0 EHADRM O=C([O-])[C@@H](OC(=O)CCc1cccc(Cl)c1)c1ccccc1F ZINC000833102835 601078832 /nfs/dbraw/zinc/07/88/32/601078832.db2.gz RLMLBEBGWUTZLM-INIZCTEOSA-N -1 0 336.746 3.781 20 0 EHADRM C[C@H](C(=O)NC(C)(C)CCC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000262645586 601082484 /nfs/dbraw/zinc/08/24/84/601082484.db2.gz QYFVNLAIAUYBFQ-VIFPVBQESA-N -1 0 332.227 3.857 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)C=C(C1CC1)C1CC1 ZINC000833177904 601086718 /nfs/dbraw/zinc/08/67/18/601086718.db2.gz SLDDCILUVZXNTR-AEFFLSMTSA-N -1 0 331.456 3.615 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)C=C(C1CC1)C1CC1 ZINC000833177913 601086971 /nfs/dbraw/zinc/08/69/71/601086971.db2.gz SLDDCILUVZXNTR-SJLPKXTDSA-N -1 0 331.456 3.615 20 0 EHADRM C[C@H](CNC(=O)c1ccccc1NC(=O)[O-])Oc1ccccc1Cl ZINC000736605952 601087353 /nfs/dbraw/zinc/08/73/53/601087353.db2.gz XGBZKJNVJBXISI-LLVKDONJSA-N -1 0 348.786 3.627 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NCCc2ccc(F)cc2)cc1 ZINC000327176826 601088354 /nfs/dbraw/zinc/08/83/54/601088354.db2.gz UUNIKFOKNRDUIH-UHFFFAOYSA-N -1 0 344.386 3.552 20 0 EHADRM C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)[C@@H](C)C1 ZINC000325470576 601089900 /nfs/dbraw/zinc/08/99/00/601089900.db2.gz VJIQSFPNAVYHCY-DVOMOZLQSA-N -1 0 332.444 3.995 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1cccc2cc[nH]c21 ZINC000833180033 601095732 /nfs/dbraw/zinc/09/57/32/601095732.db2.gz SIOICJROMSMQNJ-WBVHZDCISA-N -1 0 340.423 3.664 20 0 EHADRM C/C(=C\COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC000390856244 601097912 /nfs/dbraw/zinc/09/79/12/601097912.db2.gz KSNUSIUERZPLSG-ZRDIBKRKSA-N -1 0 330.767 3.981 20 0 EHADRM Cc1cc(C)cc(OCCC(=O)O[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000832879101 601099482 /nfs/dbraw/zinc/09/94/82/601099482.db2.gz SNOLCTQMMULACN-GOSISDBHSA-N -1 0 346.354 3.581 20 0 EHADRM O=C([O-])[C@@H](OC(=O)CC[C@@H]1CCCO1)c1ccc(Cl)cc1Cl ZINC000833096844 601102771 /nfs/dbraw/zinc/10/27/71/601102771.db2.gz XBHZEBAYKVIUPW-HZMBPMFUSA-N -1 0 347.194 3.622 20 0 EHADRM COc1ccccc1[C@H](CC(C)C)NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000263561695 601106992 /nfs/dbraw/zinc/10/69/92/601106992.db2.gz CGXFIQXRWYNAFB-UXLLHSPISA-N -1 0 347.455 3.790 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])s2)[C@H]1c1cccc(F)c1 ZINC000237552828 601107708 /nfs/dbraw/zinc/10/77/08/601107708.db2.gz MEAJRPXVTOJGAZ-ZUZCIYMTSA-N -1 0 333.384 3.809 20 0 EHADRM CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000827862040 601110814 /nfs/dbraw/zinc/11/08/14/601110814.db2.gz SOOUBVKCNJNUSQ-CYBMUJFWSA-N -1 0 340.375 3.936 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc2ccccc2c1 ZINC000245918451 601125902 /nfs/dbraw/zinc/12/59/02/601125902.db2.gz GTCLZPHCZHWJJO-DOPJRALCSA-N -1 0 325.408 3.908 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1cccc2ccccc21 ZINC000183965090 601125961 /nfs/dbraw/zinc/12/59/61/601125961.db2.gz KAJAAEKIHQYPJN-IMJJTQAJSA-N -1 0 325.408 3.908 20 0 EHADRM COc1cccc(F)c1[C@@H](C)NC(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000832558203 601137814 /nfs/dbraw/zinc/13/78/14/601137814.db2.gz GJFFXNKAUUIONU-LLVKDONJSA-N -1 0 346.358 3.724 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)cc1C(=O)[O-] ZINC000832946974 601139838 /nfs/dbraw/zinc/13/98/38/601139838.db2.gz MZNUGRWWYQJANO-JKSUJKDBSA-N -1 0 328.343 3.510 20 0 EHADRM Cc1ccc(NC(=O)N2CC[C@H](c3ccccc3F)C2)cc1C(=O)[O-] ZINC000832945621 601141866 /nfs/dbraw/zinc/14/18/66/601141866.db2.gz KAAUJBOEJRUATB-ZDUSSCGKSA-N -1 0 342.370 3.854 20 0 EHADRM CCSCc1ccc(C(=O)N(CC(=O)[O-])c2cccc(F)c2)cc1 ZINC000830169359 601142896 /nfs/dbraw/zinc/14/28/96/601142896.db2.gz UAOYLYCGLSPGHM-UHFFFAOYSA-N -1 0 347.411 3.810 20 0 EHADRM O=C([O-])CN(C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)c1cccc(F)c1 ZINC000833242575 601144191 /nfs/dbraw/zinc/14/41/91/601144191.db2.gz SAAAEDDFVHMBNL-HOTGVXAUSA-N -1 0 347.773 3.700 20 0 EHADRM C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)c2C#N)C1 ZINC000326311022 601145985 /nfs/dbraw/zinc/14/59/85/601145985.db2.gz LKQMQYLKVMDUQT-WOPDTQHZSA-N -1 0 346.452 3.574 20 0 EHADRM Cc1ccc(OC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c(Br)c1 ZINC000832953473 601147522 /nfs/dbraw/zinc/14/75/22/601147522.db2.gz SZRYMZFIDCHTBJ-QWRGUYRKSA-N -1 0 341.201 3.554 20 0 EHADRM CCN(C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1nc2ccccc2s1 ZINC000829591330 601147848 /nfs/dbraw/zinc/14/78/48/601147848.db2.gz RRNUTSQWSZJGCS-RYUDHWBXSA-N -1 0 332.425 3.540 20 0 EHADRM CN(C(=O)c1ccc(OC(C)(C)C)cc1)c1ccccc1C(=O)[O-] ZINC000830528350 601148786 /nfs/dbraw/zinc/14/87/86/601148786.db2.gz LNWZWWMLBVEMKD-UHFFFAOYSA-N -1 0 327.380 3.839 20 0 EHADRM Cc1ccc(CCCC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)s1 ZINC000237021438 601149546 /nfs/dbraw/zinc/14/95/46/601149546.db2.gz OSODRTFTSVXPKD-UHFFFAOYSA-N -1 0 331.437 3.736 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000630294199 601158324 /nfs/dbraw/zinc/15/83/24/601158324.db2.gz GURKZQGLKWFMJE-KSIDHJATSA-N -1 0 329.440 3.671 20 0 EHADRM CCc1nc(C)c([C@H](C)OC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)s1 ZINC000830309908 601158821 /nfs/dbraw/zinc/15/88/21/601158821.db2.gz RVDQHLOZHZUKNC-QJPTWQEYSA-N -1 0 325.430 3.509 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000826026379 601165831 /nfs/dbraw/zinc/16/58/31/601165831.db2.gz NZOCSCFFRLEWQK-YVRYYHHBSA-N -1 0 341.451 3.781 20 0 EHADRM Cc1ccc(CCCC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])s1 ZINC000237655387 601168022 /nfs/dbraw/zinc/16/80/22/601168022.db2.gz WPNKVOPQKWNUMQ-RDTXWAMCSA-N -1 0 345.464 3.957 20 0 EHADRM C/C(=C\C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-])c1cccc(F)c1 ZINC000767069155 601171340 /nfs/dbraw/zinc/17/13/40/601171340.db2.gz RVISNECSXBXIPB-UGRDJDSXSA-N -1 0 341.382 3.807 20 0 EHADRM Cc1ccc(C(=O)NCCCCCCC(=O)[O-])cc1Br ZINC000147360954 601178828 /nfs/dbraw/zinc/17/88/28/601178828.db2.gz LVALAJDAERYJCG-UHFFFAOYSA-N -1 0 342.233 3.522 20 0 EHADRM Cc1ccc(-c2cc(COC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)on2)cc1 ZINC000832905576 601190559 /nfs/dbraw/zinc/19/05/59/601190559.db2.gz BOQCQLYTAHCQIJ-LSDHHAIUSA-N -1 0 343.379 3.584 20 0 EHADRM Cc1ccc(-c2cnc(COC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)o2)cc1 ZINC000832907215 601191330 /nfs/dbraw/zinc/19/13/30/601191330.db2.gz PAYNGPCYZHTFTA-GJZGRUSLSA-N -1 0 343.379 3.584 20 0 EHADRM CCS[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000830158166 601191757 /nfs/dbraw/zinc/19/17/57/601191757.db2.gz RUPBOXRXETUULL-ZYHUDNBSSA-N -1 0 340.420 3.710 20 0 EHADRM Cc1ccc(CCCC(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)s1 ZINC000832930941 601195599 /nfs/dbraw/zinc/19/55/99/601195599.db2.gz VQGKIUZMIAJOEM-INIZCTEOSA-N -1 0 336.384 3.887 20 0 EHADRM Cc1cnc(C(C)(C)NC(=O)Nc2cc(C(=O)[O-])ccc2C)s1 ZINC000832985193 601196366 /nfs/dbraw/zinc/19/63/66/601196366.db2.gz GPKBDNAZGCYMPW-UHFFFAOYSA-N -1 0 333.413 3.515 20 0 EHADRM Cc1ccccc1Cc1noc(CNc2ccc(C)c(C(=O)[O-])c2)n1 ZINC000832978199 601208264 /nfs/dbraw/zinc/20/82/64/601208264.db2.gz QMKDJQYAIVJQAP-UHFFFAOYSA-N -1 0 337.379 3.588 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(C)(C)C ZINC000263280245 601213700 /nfs/dbraw/zinc/21/37/00/601213700.db2.gz SWYNTPQMFWLVTG-ZBFHGGJFSA-N -1 0 332.444 3.588 20 0 EHADRM Cc1sc(NC(=O)COc2ccccc2NC(=O)[O-])c(C)c1C ZINC000833036228 601229796 /nfs/dbraw/zinc/22/97/96/601229796.db2.gz IEIMTQXJNGPBMW-UHFFFAOYSA-N -1 0 334.397 3.781 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)Nc1cccc2cccnc21)c1ccccc1 ZINC000826038223 601246910 /nfs/dbraw/zinc/24/69/10/601246910.db2.gz DFSCJQJQHRUGDT-GUYCJALGSA-N -1 0 349.390 3.818 20 0 EHADRM COc1cccc(/C(C)=C/C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000832528439 601253230 /nfs/dbraw/zinc/25/32/30/601253230.db2.gz LPZDIRFWQJYTPY-UXBLZVDNSA-N -1 0 347.317 3.714 20 0 EHADRM COc1cccc(C(C)=CC(=O)Nc2cccc(NC(=O)[O-])c2)c1 ZINC000832529284 601255696 /nfs/dbraw/zinc/25/56/96/601255696.db2.gz XWMLJXOGKJMGMN-XFXZXTDPSA-N -1 0 326.352 3.827 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2occc2Br)ccc1F ZINC000833282819 601263787 /nfs/dbraw/zinc/26/37/87/601263787.db2.gz KOHGHNVJWNGNKL-UHFFFAOYSA-N -1 0 343.108 3.523 20 0 EHADRM O=C([O-])c1ccc(N2CCCC2)c(NC(=O)[C@H]2CC23CCCC3)c1 ZINC000833318808 601268799 /nfs/dbraw/zinc/26/87/99/601268799.db2.gz WGBQZJYHICAAPX-CQSZACIVSA-N -1 0 328.412 3.504 20 0 EHADRM O=C([O-])c1cc(C(=O)Oc2ccc3oc4ccccc4c3c2)ccn1 ZINC000833353241 601271740 /nfs/dbraw/zinc/27/17/40/601271740.db2.gz JQKFQNNDNPAQFE-UHFFFAOYSA-N -1 0 333.299 3.898 20 0 EHADRM C[C@]1(CCc2ccccc2)CCN(C(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000569916394 601278455 /nfs/dbraw/zinc/27/84/55/601278455.db2.gz GQASPCWMZIPYJM-NRFANRHFSA-N -1 0 337.419 3.870 20 0 EHADRM C[C@]1(CCc2ccccc2)CCN(C(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000535614556 601278539 /nfs/dbraw/zinc/27/85/39/601278539.db2.gz ZQLZUDNGVJMGRC-NRFANRHFSA-N -1 0 337.419 3.870 20 0 EHADRM Cc1c2ccccc2[nH]c(=O)c1C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000832854066 601279546 /nfs/dbraw/zinc/27/95/46/601279546.db2.gz SLAWODFDTXZPAY-UHFFFAOYSA-N -1 0 338.319 3.558 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000236685531 601280587 /nfs/dbraw/zinc/28/05/87/601280587.db2.gz ZWYAPMXBRQBPOJ-LUJNMSEFSA-N -1 0 345.345 3.700 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000236688183 601281166 /nfs/dbraw/zinc/28/11/66/601281166.db2.gz ITHCJOCLVJGQFW-SEYXRHQNSA-N -1 0 343.354 3.721 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000181657405 601283566 /nfs/dbraw/zinc/28/35/66/601283566.db2.gz ILFRZVWJHBIORR-SWNWVQGVSA-N -1 0 341.382 3.951 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000236687973 601283585 /nfs/dbraw/zinc/28/35/85/601283585.db2.gz MLBAASZFAUHQJD-SEYXRHQNSA-N -1 0 327.355 3.885 20 0 EHADRM CC(C)[C@H](C(=O)NC1CCC(C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000262668921 601283599 /nfs/dbraw/zinc/28/35/99/601283599.db2.gz QCTIMXABXGTXCX-MOQPWLNLSA-N -1 0 337.847 3.839 20 0 EHADRM Cc1ccc([C@H](CNC(=O)C/C=C/c2cccc(F)c2)C(=O)[O-])cc1 ZINC000486403651 601284276 /nfs/dbraw/zinc/28/42/76/601284276.db2.gz HTFVNTXMFPKFLA-YZTRRJNXSA-N -1 0 341.382 3.522 20 0 EHADRM C[C@H](C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F)C1CCCC1 ZINC000825977199 601287471 /nfs/dbraw/zinc/28/74/71/601287471.db2.gz AMCWNQOCWUUGCY-LBPRGKRZSA-N -1 0 339.382 3.594 20 0 EHADRM Cc1cccc(-c2ccc(CNC(=O)c3ccnc(C(=O)[O-])c3)cc2)c1 ZINC000832959411 601289265 /nfs/dbraw/zinc/28/92/65/601289265.db2.gz FLMOBEDWLXPVIN-UHFFFAOYSA-N -1 0 346.386 3.685 20 0 EHADRM CCC(CC)[C@@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1ccccc1 ZINC000828854598 601292009 /nfs/dbraw/zinc/29/20/09/601292009.db2.gz MGJFLXQDDBXWRG-QGZVFWFLSA-N -1 0 326.396 3.687 20 0 EHADRM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1ccc(C(=O)[O-])cn1 ZINC000191136817 601292266 /nfs/dbraw/zinc/29/22/66/601292266.db2.gz SRKDVOBAGQNEDM-VXGBXAGGSA-N -1 0 346.814 3.697 20 0 EHADRM CSc1ccc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1Cl ZINC000180120566 601292875 /nfs/dbraw/zinc/29/28/75/601292875.db2.gz BRRWWMHGPWVPOF-ZJUUUORDSA-N -1 0 327.833 3.891 20 0 EHADRM Cc1cc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c2ccccc2n1 ZINC000178172699 601295184 /nfs/dbraw/zinc/29/51/84/601295184.db2.gz SNSFAWMEDQKQEM-AUUYWEPGSA-N -1 0 348.402 3.735 20 0 EHADRM O=C([O-])Nc1cc(NCC(=O)N2CCC[C@H]3CCCC[C@H]32)ccc1F ZINC000833282429 601301599 /nfs/dbraw/zinc/30/15/99/601301599.db2.gz GVSQWVVDQGSPMO-MLGOLLRUSA-N -1 0 349.406 3.509 20 0 EHADRM Cc1ccc(NCC(=O)Nc2ccc(Cl)cc2C)cc1C(=O)[O-] ZINC000832886364 601302316 /nfs/dbraw/zinc/30/23/16/601302316.db2.gz MCBZZBHRSIDQAC-UHFFFAOYSA-N -1 0 332.787 3.706 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1c(Cl)c2ccccc2n1C ZINC000262091555 601304816 /nfs/dbraw/zinc/30/48/16/601304816.db2.gz LRWRBXRRFWYJDI-UHFFFAOYSA-N -1 0 336.819 3.595 20 0 EHADRM CCOc1ccc(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000830085417 601308201 /nfs/dbraw/zinc/30/82/01/601308201.db2.gz WIMRUBOZDTYRAS-INIZCTEOSA-N -1 0 346.358 3.562 20 0 EHADRM Cc1cc(F)ccc1NC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000832888625 601309696 /nfs/dbraw/zinc/30/96/96/601309696.db2.gz ALYMBDFASWJGLP-OAHLLOKOSA-N -1 0 334.322 3.611 20 0 EHADRM Cn1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)cc1C(=O)[O-] ZINC000833045821 601311277 /nfs/dbraw/zinc/31/12/77/601311277.db2.gz PJDIGLHTMPFTTL-IAGOWNOFSA-N -1 0 334.375 3.619 20 0 EHADRM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000828149935 601335389 /nfs/dbraw/zinc/33/53/89/601335389.db2.gz OGNDMCGVZFFMKZ-KBXCAEBGSA-N -1 0 338.407 3.724 20 0 EHADRM Cc1cc(C(=O)NCCCCCC(=O)[O-])c(C)n1Cc1ccccc1 ZINC000237585105 601358789 /nfs/dbraw/zinc/35/87/89/601358789.db2.gz HRIBVJIZGDSEBO-UHFFFAOYSA-N -1 0 342.439 3.528 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)COc2ccccc2NC(=O)[O-])cc1C ZINC000832922118 601369126 /nfs/dbraw/zinc/36/91/26/601369126.db2.gz ZZQPXOUNKHXDIJ-CQSZACIVSA-N -1 0 342.395 3.650 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1cccc(-c2nccc(C)n2)c1 ZINC000830379512 601391172 /nfs/dbraw/zinc/39/11/72/601391172.db2.gz YXIGWEQEACQLPY-UHFFFAOYSA-N -1 0 337.379 3.918 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CNc1ccccc1OC[C@@H]1CCCCO1 ZINC000833025430 601391702 /nfs/dbraw/zinc/39/17/02/601391702.db2.gz KRWTWBZQTIJBHP-HNNXBMFYSA-N -1 0 345.395 3.846 20 0 EHADRM C/C(=C\C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-])c1ccc(F)cc1 ZINC000767074354 601393362 /nfs/dbraw/zinc/39/33/62/601393362.db2.gz QMOSTZFPCBNYSM-KMHLBWFWSA-N -1 0 341.382 3.807 20 0 EHADRM C/C(=C\C(=O)N[C@@H](C(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC000769560062 601397554 /nfs/dbraw/zinc/39/75/54/601397554.db2.gz YZPPJSGJCQVXOK-DPCFLFMUSA-N -1 0 329.783 3.685 20 0 EHADRM CC(C)(c1nc(-c2cccc(C(=O)[O-])c2)no1)c1ccccc1F ZINC000826641477 601403181 /nfs/dbraw/zinc/40/31/81/601403181.db2.gz CCRWTYNBIZCULR-UHFFFAOYSA-N -1 0 326.327 3.900 20 0 EHADRM COc1ccccc1C(C)(C)c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000832589026 601403487 /nfs/dbraw/zinc/40/34/87/601403487.db2.gz KAUXOEQFMGYHQW-UHFFFAOYSA-N -1 0 338.363 3.769 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N1CCC(c2cccc(F)c2)CC1 ZINC000833333091 601408843 /nfs/dbraw/zinc/40/88/43/601408843.db2.gz MSBYVXJSSRVVBS-UHFFFAOYSA-N -1 0 342.370 3.935 20 0 EHADRM Cc1nc(CCCC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cs1 ZINC000262757281 601413814 /nfs/dbraw/zinc/41/38/14/601413814.db2.gz JVDIAFXILFPKKS-UHFFFAOYSA-N -1 0 346.452 3.775 20 0 EHADRM C/C(=C/COC(=O)c1cccc(OCc2cccs2)c1)C(=O)[O-] ZINC000825780735 601416142 /nfs/dbraw/zinc/41/61/42/601416142.db2.gz HWTAHXBCEXXLJN-GHXNOFRVSA-N -1 0 332.377 3.515 20 0 EHADRM C/C(=C/COC(=O)c1ccc(Oc2ccccc2Cl)nc1)C(=O)[O-] ZINC000825780862 601429118 /nfs/dbraw/zinc/42/91/18/601429118.db2.gz JZQLUKCLPHCWQZ-FLIBITNWSA-N -1 0 347.754 3.715 20 0 EHADRM Cc1nc(NC(=O)c2c[nH]c3cc(Cl)ccc32)sc1C(=O)[O-] ZINC000833001927 601435929 /nfs/dbraw/zinc/43/59/29/601435929.db2.gz CRJCTNZVMFWNAB-UHFFFAOYSA-N -1 0 335.772 3.537 20 0 EHADRM C[C@H](CC(=O)NC1(CC(=O)[O-])CCC1)c1ccc(C(F)(F)F)cc1 ZINC000262504062 601436450 /nfs/dbraw/zinc/43/64/50/601436450.db2.gz ITSMWMXQGIVEQA-LLVKDONJSA-N -1 0 343.345 3.713 20 0 EHADRM O=C([O-])c1ccccc1NCC(=O)Nc1ccc(Cl)cc1Cl ZINC000833111003 601439829 /nfs/dbraw/zinc/43/98/29/601439829.db2.gz BTZCRNBJEMZVRV-UHFFFAOYSA-N -1 0 339.178 3.742 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)CCCCc1nc2ccccc2s1 ZINC000236989260 601456217 /nfs/dbraw/zinc/45/62/17/601456217.db2.gz JARXYXVECWRQMV-SFHVURJKSA-N -1 0 348.468 3.769 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000776629249 601468450 /nfs/dbraw/zinc/46/84/50/601468450.db2.gz WABVJNNBOVNOBP-HNNXBMFYSA-N -1 0 343.210 3.848 20 0 EHADRM CSCc1ccc(NC(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000594696693 601485871 /nfs/dbraw/zinc/48/58/71/601485871.db2.gz JZFNVWUMGUNCID-UHFFFAOYSA-N -1 0 336.457 3.658 20 0 EHADRM Cc1ccc(/C=C/CC(=O)N(CC(=O)[O-])c2cccc(F)c2)cc1 ZINC000832928491 601504895 /nfs/dbraw/zinc/50/48/95/601504895.db2.gz SPAWCALHPQXHKO-DUXPYHPUSA-N -1 0 327.355 3.655 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000767070914 601521667 /nfs/dbraw/zinc/52/16/67/601521667.db2.gz BDXRIQHOZLEGQG-YMTOWFKASA-N -1 0 344.238 3.542 20 0 EHADRM C[C@@H](CC(=O)N[C@H](CC(=O)[O-])C1CC1)c1ccccc1C(F)(F)F ZINC000767078872 601531762 /nfs/dbraw/zinc/53/17/62/601531762.db2.gz XCUIHGOCERQIEC-IINYFYTJSA-N -1 0 343.345 3.569 20 0 EHADRM CCC(CC)N(C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1)C1CC1 ZINC000539675817 601533448 /nfs/dbraw/zinc/53/34/48/601533448.db2.gz NXBUDGLRYSHLPV-UHFFFAOYSA-N -1 0 333.428 3.560 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1Cc1ncc(-c2ccccc2)o1 ZINC000326709160 601545277 /nfs/dbraw/zinc/54/52/77/601545277.db2.gz WUQAQVVYBXKRTE-LJQANCHMSA-N -1 0 334.375 3.526 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000261996570 601557936 /nfs/dbraw/zinc/55/79/36/601557936.db2.gz DDEDLYYSHZZKFE-UHFFFAOYSA-N -1 0 341.860 3.825 20 0 EHADRM Cc1cc(C(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)cc(C)c1OCC(=O)[O-] ZINC000237361121 601564401 /nfs/dbraw/zinc/56/44/01/601564401.db2.gz XMMMSCGLLSRUNZ-INMHGKMJSA-N -1 0 345.439 3.560 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2sc3ccccc3c2s1)C1CC1 ZINC000262082818 601589468 /nfs/dbraw/zinc/58/94/68/601589468.db2.gz BJEXZRNHPXXVEQ-ZDUSSCGKSA-N -1 0 331.418 3.709 20 0 EHADRM Cc1cc(C(=O)N[C@H](C(=O)[O-])C2CC2)sc1-c1cccc(Cl)c1 ZINC000832864258 601596111 /nfs/dbraw/zinc/59/61/11/601596111.db2.gz YVEUMQLILOAHJV-AWEZNQCLSA-N -1 0 349.839 3.970 20 0 EHADRM Cc1cc(COC(=O)CCCc2ccc(F)c(F)c2)oc1C(=O)[O-] ZINC000832885157 601601234 /nfs/dbraw/zinc/60/12/34/601601234.db2.gz KXXMXVQQYKFCIS-UHFFFAOYSA-N -1 0 338.306 3.631 20 0 EHADRM C[C@H](C(=O)NCC1(C(=O)[O-])CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000676025217 601601813 /nfs/dbraw/zinc/60/18/13/601601813.db2.gz ORXQGKFLQRYMCY-JTQLQIEISA-N -1 0 344.238 3.858 20 0 EHADRM O=C([O-])Nc1cc(NCc2noc(Cc3ccccc3)n2)ccc1F ZINC000833282748 601606356 /nfs/dbraw/zinc/60/63/56/601606356.db2.gz IWTBKJBIGBEEEE-UHFFFAOYSA-N -1 0 342.330 3.502 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NCc2noc(-c3ccccc3)n2)c1 ZINC000833297673 601607445 /nfs/dbraw/zinc/60/74/45/601607445.db2.gz LLHIZDXOCQLNHE-UHFFFAOYSA-N -1 0 329.743 3.700 20 0 EHADRM CCN(c1ccc(C(=O)Nc2ccccc2CC(=O)[O-])cc1)C(C)C ZINC000236853282 601613007 /nfs/dbraw/zinc/61/30/07/601613007.db2.gz HARIWJPSGIMXRS-UHFFFAOYSA-N -1 0 340.423 3.801 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000262522534 601613645 /nfs/dbraw/zinc/61/36/45/601613645.db2.gz QYJUDZCUDGZPNF-UHFFFAOYSA-N -1 0 332.425 3.628 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000237330907 601616014 /nfs/dbraw/zinc/61/60/14/601616014.db2.gz LKHJNUJVOZAJPZ-ZDUSSCGKSA-N -1 0 329.371 3.660 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)CCCc1ccc(Cl)cc1 ZINC000238068971 601616860 /nfs/dbraw/zinc/61/68/60/601616860.db2.gz VNDIRGNRCRLSCM-UHFFFAOYSA-N -1 0 331.799 3.929 20 0 EHADRM CC(C)c1ccc(OCCC(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000236678925 601617127 /nfs/dbraw/zinc/61/71/27/601617127.db2.gz ARALTBJNLJKPCR-UHFFFAOYSA-N -1 0 341.407 3.845 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1cc2ccccc2c(Cl)n1 ZINC000392493545 601617652 /nfs/dbraw/zinc/61/76/52/601617652.db2.gz OTIVPUWXMBHJFG-UHFFFAOYSA-N -1 0 340.766 3.768 20 0 EHADRM CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(NC(=O)[O-])cc2)C1(C)C ZINC000829412702 601618513 /nfs/dbraw/zinc/61/85/13/601618513.db2.gz CZLWODKCONWUPQ-HZPDHXFCSA-N -1 0 348.443 3.832 20 0 EHADRM COc1cc(C)ccc1NC(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000831966529 601621424 /nfs/dbraw/zinc/62/14/24/601621424.db2.gz AKQPNOAXOLXOLF-GUYCJALGSA-N -1 0 342.395 3.587 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)Nc1cccc(F)c1F)c1ccccc1 ZINC000826039318 601621759 /nfs/dbraw/zinc/62/17/59/601621759.db2.gz QTBNGBVLHDPIIW-BONVTDFDSA-N -1 0 334.322 3.548 20 0 EHADRM C[C@H](CNC(=O)Nc1cccc(CO[C@@H]2CCC[C@@H](C)C2)c1)C(=O)[O-] ZINC000828244801 601621981 /nfs/dbraw/zinc/62/19/81/601621981.db2.gz DCIPWFRMFCBEIT-CKEIUWERSA-N -1 0 348.443 3.624 20 0 EHADRM Cc1occc1-c1nnc(SCc2cc(C(=O)[O-])sc2C)n1C ZINC000833029448 601622256 /nfs/dbraw/zinc/62/22/56/601622256.db2.gz BAXLMDXIVKBODN-UHFFFAOYSA-N -1 0 349.437 3.744 20 0 EHADRM CCc1nc(NC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])sc1C ZINC000830318069 601627197 /nfs/dbraw/zinc/62/71/97/601627197.db2.gz MCWNOPIKFBLFBK-IINYFYTJSA-N -1 0 347.440 3.597 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])c(F)c1)Cc1ccc(F)cc1Cl ZINC000830811176 601633020 /nfs/dbraw/zinc/63/30/20/601633020.db2.gz QVABOCSVLASSRN-UHFFFAOYSA-N -1 0 325.742 3.948 20 0 EHADRM CCCCC[C@H](NC(=O)c1cc(F)c(Cl)cc1Cl)C(=O)[O-] ZINC000236668837 601642465 /nfs/dbraw/zinc/64/24/65/601642465.db2.gz XJEBSWLJDRQHFS-LBPRGKRZSA-N -1 0 336.190 3.896 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCSc2ccccn2)ccc1Cl ZINC000145716598 601651865 /nfs/dbraw/zinc/65/18/65/601651865.db2.gz KMWIRXVGKISATH-UHFFFAOYSA-N -1 0 336.800 3.554 20 0 EHADRM C[C@@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)C=C1CCC1 ZINC000827956505 601673119 /nfs/dbraw/zinc/67/31/19/601673119.db2.gz HQPNGESJMCZJDQ-ZDUSSCGKSA-N -1 0 340.379 3.573 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000833311608 601674180 /nfs/dbraw/zinc/67/41/80/601674180.db2.gz WIDGGYZZIJLNHH-DTWKUNHWSA-N -1 0 335.347 3.545 20 0 EHADRM CC[C@@H](C)c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(OC)cc2)cc1 ZINC000828763847 601675368 /nfs/dbraw/zinc/67/53/68/601675368.db2.gz DSLINXYHFBLSEQ-ACJLOTCBSA-N -1 0 341.407 3.764 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)CCCc1csc2ccccc12 ZINC000236727491 601677164 /nfs/dbraw/zinc/67/71/64/601677164.db2.gz SQANYTMFYVBDFG-UHFFFAOYSA-N -1 0 333.453 3.936 20 0 EHADRM C[C@@H](CSc1ccc(F)cc1)C(=O)N(CC(=O)[O-])c1ccccc1 ZINC000337763653 601679239 /nfs/dbraw/zinc/67/92/39/601679239.db2.gz YAGLDFLEPDKKQW-ZDUSSCGKSA-N -1 0 347.411 3.672 20 0 EHADRM CN(C(=O)CCCc1ccc(F)c(F)c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000776620072 601679343 /nfs/dbraw/zinc/67/93/43/601679343.db2.gz FJCVZPSFECQMRQ-GOSISDBHSA-N -1 0 347.361 3.572 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@@H]2C[C@H]2Cc2ccccc2)cc1 ZINC000826112892 601681070 /nfs/dbraw/zinc/68/10/70/601681070.db2.gz AFYWAXVPFSMOBJ-CRAIPNDOSA-N -1 0 337.419 3.866 20 0 EHADRM O=C([O-])CCN(C(=O)[C@@H]1C[C@@H]1Cc1ccccc1)c1cccc(F)c1 ZINC000833231932 601681821 /nfs/dbraw/zinc/68/18/21/601681821.db2.gz GSEGQIJSTWAKSL-MAUKXSAKSA-N -1 0 341.382 3.512 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC(=Cc3ccccc3F)CC2)s1 ZINC000833309378 601690290 /nfs/dbraw/zinc/69/02/90/601690290.db2.gz SLQGGZUSQBIDCT-UHFFFAOYSA-N -1 0 345.395 3.905 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2nc3c(cccc3Cl)[nH]2)cc1 ZINC000833282499 601690352 /nfs/dbraw/zinc/69/03/52/601690352.db2.gz FMTHFKDVBRYERH-UHFFFAOYSA-N -1 0 330.731 3.559 20 0 EHADRM Cc1cccc(CC2CN(C(=O)Nc3cc(C(=O)[O-])ccc3F)C2)c1 ZINC000832968379 601692684 /nfs/dbraw/zinc/69/26/84/601692684.db2.gz DPZABFYOVDRLLK-UHFFFAOYSA-N -1 0 342.370 3.539 20 0 EHADRM Cc1ccc2c(Cl)c(C(=O)N3C[C@@H](C)[C@H](C(=O)[O-])C3)sc2c1 ZINC000643430332 601694733 /nfs/dbraw/zinc/69/47/33/601694733.db2.gz VZGQDZMDUDMDLC-MWLCHTKSSA-N -1 0 337.828 3.656 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000826648115 601695997 /nfs/dbraw/zinc/69/59/97/601695997.db2.gz UNUVJFAEKGJULV-HIFRSBDPSA-N -1 0 333.453 3.538 20 0 EHADRM Cc1cc(C)c2nc(C3CC3)cc(C(=O)NCC(C)(C)C(=O)[O-])c2c1 ZINC000237624296 601710238 /nfs/dbraw/zinc/71/02/38/601710238.db2.gz YCSSWCANSFIMTM-UHFFFAOYSA-N -1 0 340.423 3.570 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(-c3ccccc3)ccc2Cl)C[C@@H]1C(=O)[O-] ZINC000828388194 601713713 /nfs/dbraw/zinc/71/37/13/601713713.db2.gz WYSDMKBQUYTYSU-LRDDRELGSA-N -1 0 343.810 3.800 20 0 EHADRM Cc1ccc2c(CC(=O)OCc3ccc(C(=O)[O-])c(F)c3)c[nH]c2c1 ZINC000832960327 601727008 /nfs/dbraw/zinc/72/70/08/601727008.db2.gz PNLLEONCPNCDBU-UHFFFAOYSA-N -1 0 341.338 3.600 20 0 EHADRM Cc1ccccc1C1(C(=O)OCc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000832981304 601727061 /nfs/dbraw/zinc/72/70/61/601727061.db2.gz GCIJSTYCIQNRKD-UHFFFAOYSA-N -1 0 328.339 3.607 20 0 EHADRM CCc1ccc(CC)c(NC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000830244664 601731246 /nfs/dbraw/zinc/73/12/46/601731246.db2.gz FTODQTKEWIOJDO-QGZVFWFLSA-N -1 0 340.423 3.801 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CC/C=C\c1ccccc1)c1ccccc1F ZINC000678985904 601738921 /nfs/dbraw/zinc/73/89/21/601738921.db2.gz CODCSKGIMBLOAM-JDTSAYOFSA-N -1 0 327.355 3.561 20 0 EHADRM CC1(C)CN(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c2ccccc2S1 ZINC000828068747 601739255 /nfs/dbraw/zinc/73/92/55/601739255.db2.gz BJACQOYXEFXZAF-STQMWFEESA-N -1 0 333.453 3.795 20 0 EHADRM O=C([O-])CCCCCNC(=O)N1CCC(=Cc2ccccc2F)CC1 ZINC000414625682 601748835 /nfs/dbraw/zinc/74/88/35/601748835.db2.gz KVAANFOPXPFBSH-UHFFFAOYSA-N -1 0 348.418 3.660 20 0 EHADRM Cc1c2nc(NC(=O)c3cccc(C(=O)[O-])c3)sc2ccc1F ZINC000832854905 601750461 /nfs/dbraw/zinc/75/04/61/601750461.db2.gz VHUKXXSEJOOHGQ-UHFFFAOYSA-N -1 0 330.340 3.694 20 0 EHADRM CCCCC[C@@H](NC(=O)c1ccc2nc(Cl)ccc2c1)C(=O)[O-] ZINC000829332937 601760628 /nfs/dbraw/zinc/76/06/28/601760628.db2.gz DXMWVOOAQHGYBZ-CQSZACIVSA-N -1 0 334.803 3.652 20 0 EHADRM C[C@H](NC(=O)NCCCCCCC(=O)[O-])c1c(F)cccc1Cl ZINC000827664305 601766783 /nfs/dbraw/zinc/76/67/83/601766783.db2.gz FMUYSWAHYBSDKH-NSHDSACASA-N -1 0 344.814 3.874 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3)cc2)C[C@@H]1C(=O)[O-] ZINC000327546291 601770034 /nfs/dbraw/zinc/77/00/34/601770034.db2.gz CXWUBRUQPQEVQY-GUYCJALGSA-N -1 0 340.379 3.663 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(SC3CCCC3)cc2)C[C@H]1C(=O)[O-] ZINC000828377994 601776557 /nfs/dbraw/zinc/77/65/57/601776557.db2.gz NTGZXFVJLULZJM-MLGOLLRUSA-N -1 0 348.468 3.906 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccc2ccccc21 ZINC000096744466 601782215 /nfs/dbraw/zinc/78/22/15/601782215.db2.gz UMARLOVZEZKUAV-UHFFFAOYSA-N -1 0 341.388 3.647 20 0 EHADRM CN(C)C(=O)Sc1cccc(CSc2ncccc2C(=O)[O-])c1 ZINC000830569277 601782467 /nfs/dbraw/zinc/78/24/67/601782467.db2.gz LBPAHABADKSMHH-UHFFFAOYSA-N -1 0 348.449 3.846 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1F ZINC000325434404 601791438 /nfs/dbraw/zinc/79/14/38/601791438.db2.gz BCXDPCMPPPWXEG-SNVBAGLBSA-N -1 0 334.322 3.854 20 0 EHADRM COc1cccc([C@H](C)CC(=O)Nc2ccc(OC)cc2C(=O)[O-])c1 ZINC000519556786 601802424 /nfs/dbraw/zinc/80/24/24/601802424.db2.gz LYYXPNRYYQFXTE-GFCCVEGCSA-N -1 0 343.379 3.534 20 0 EHADRM COC(=O)c1cc(OCc2nc(C(C)(C)C)cs2)cc(C(=O)[O-])c1 ZINC000831331208 601804509 /nfs/dbraw/zinc/80/45/09/601804509.db2.gz CAXXGJVRCYKCEP-UHFFFAOYSA-N -1 0 349.408 3.504 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N[C@@H](C2CCCCC2)C(F)(F)F)C1 ZINC000649465935 601805734 /nfs/dbraw/zinc/80/57/34/601805734.db2.gz XKKCUJRRIMIJRE-UPJWGTAASA-N -1 0 335.366 3.505 20 0 EHADRM O=C([O-])c1c(C2CC2)csc1NC(=O)c1cnc(C2CC2)s1 ZINC000738518590 601808799 /nfs/dbraw/zinc/80/87/99/601808799.db2.gz ZBWNVEOAQDFPPH-UHFFFAOYSA-N -1 0 334.422 3.910 20 0 EHADRM C[C@@H]1CCC[C@H](OCC(=O)Nc2scc(C3CC3)c2C(=O)[O-])C1 ZINC000828245508 601809570 /nfs/dbraw/zinc/80/95/70/601809570.db2.gz LCYHBIVXGDPBAX-PWSUYJOCSA-N -1 0 337.441 3.858 20 0 EHADRM O=C([O-])c1ccccc1NCc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000833335494 601811779 /nfs/dbraw/zinc/81/17/79/601811779.db2.gz SLYQECCVGYTRNS-UHFFFAOYSA-N -1 0 335.359 3.592 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CSCCCOC(C)(C)C ZINC000832916933 601814493 /nfs/dbraw/zinc/81/44/93/601814493.db2.gz PCGIIRKBXVRWJN-UHFFFAOYSA-N -1 0 339.457 3.570 20 0 EHADRM CCCCN(C)c1ccc(C(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000659774442 601816033 /nfs/dbraw/zinc/81/60/33/601816033.db2.gz JVIDVYIDHWLPAS-UHFFFAOYSA-N -1 0 346.471 3.640 20 0 EHADRM CC[C@H](CC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccc(C)cc1 ZINC000539683953 601816231 /nfs/dbraw/zinc/81/62/31/601816231.db2.gz ZABNHITWCJFNHT-QGZVFWFLSA-N -1 0 331.456 3.982 20 0 EHADRM CC(C)c1ccc(CCC(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000539684403 601818911 /nfs/dbraw/zinc/81/89/11/601818911.db2.gz WIQZQHSUSOANTD-UHFFFAOYSA-N -1 0 331.456 3.846 20 0 EHADRM Cc1ccc(C(=O)N2CCC(CCC(=O)[O-])CC2)cc1-n1cccc1 ZINC000832912451 601820941 /nfs/dbraw/zinc/82/09/41/601820941.db2.gz PSIIRGSUVNEDPD-UHFFFAOYSA-N -1 0 340.423 3.503 20 0 EHADRM C[C@@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000321531884 601822948 /nfs/dbraw/zinc/82/29/48/601822948.db2.gz YWNIBAQESOQTJM-GFCCVEGCSA-N -1 0 338.835 3.687 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)NCc2cc3ccccc3s2)CC1 ZINC000659394963 601825832 /nfs/dbraw/zinc/82/58/32/601825832.db2.gz HCORFOKTYXTGPL-UHFFFAOYSA-N -1 0 346.452 3.688 20 0 EHADRM O=C([O-])CCC1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000050926241 601841458 /nfs/dbraw/zinc/84/14/58/601841458.db2.gz GYZUBMMWZFQBKY-UHFFFAOYSA-N -1 0 344.224 3.665 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)C1(Cc2ccccc2)CCC1 ZINC000831913622 601845979 /nfs/dbraw/zinc/84/59/79/601845979.db2.gz SMBOKKRQKOVPDH-UHFFFAOYSA-N -1 0 340.375 3.712 20 0 EHADRM C[C@@H](c1ccccc1)N(C)C(=O)CSCc1ccc(C(=O)[O-])s1 ZINC000827951534 601846720 /nfs/dbraw/zinc/84/67/20/601846720.db2.gz XRNOLBNZHAZFGT-LBPRGKRZSA-N -1 0 349.477 3.899 20 0 EHADRM O=C([O-])c1ccc(CSCC(=O)Nc2ccc(F)cc2F)s1 ZINC000833115974 601847081 /nfs/dbraw/zinc/84/70/81/601847081.db2.gz NNUPTIKOLFIYNZ-UHFFFAOYSA-N -1 0 343.376 3.596 20 0 EHADRM Cc1cc(C)cc(NC(=O)CSCc2ccc(C(=O)[O-])s2)c1 ZINC000832879007 601847269 /nfs/dbraw/zinc/84/72/69/601847269.db2.gz MNHMWDDGDGONBE-UHFFFAOYSA-N -1 0 335.450 3.935 20 0 EHADRM C[C@@H](c1ccccc1)n1ccc(N[C@H](C(=O)[O-])c2ccccc2F)n1 ZINC000827949331 601853675 /nfs/dbraw/zinc/85/36/75/601853675.db2.gz KVOFCPKQMDRMAP-UGSOOPFHSA-N -1 0 339.370 3.869 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)N[C@@H]2CCCCc3ccccc32)c1 ZINC000833146009 601867521 /nfs/dbraw/zinc/86/75/21/601867521.db2.gz KQUSNXCGGWWDMQ-GOSISDBHSA-N -1 0 338.407 3.652 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)cc1 ZINC000833263347 601872729 /nfs/dbraw/zinc/87/27/29/601872729.db2.gz MPALNGNXKBWDNT-HOTGVXAUSA-N -1 0 346.379 3.712 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)c2cc3c(s2)CCC3)cc1 ZINC000833264331 601874152 /nfs/dbraw/zinc/87/41/52/601874152.db2.gz MWTHBWDLRMTTHE-UHFFFAOYSA-N -1 0 334.418 3.633 20 0 EHADRM CCSc1ccc(C(=O)Oc2ccc(SCC(=O)[O-])cc2)cn1 ZINC000830168600 601876983 /nfs/dbraw/zinc/87/69/83/601876983.db2.gz FDKVVPSCNIMFEH-UHFFFAOYSA-N -1 0 349.433 3.590 20 0 EHADRM CCS[C@H](C(=O)Oc1ccc(SCC(=O)[O-])cc1)C(C)C ZINC000830150463 601879532 /nfs/dbraw/zinc/87/95/32/601879532.db2.gz PHVHGUBGSKDBBL-AWEZNQCLSA-N -1 0 328.455 3.546 20 0 EHADRM CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000830150483 601881200 /nfs/dbraw/zinc/88/12/00/601881200.db2.gz PRVBJTOYBMFROG-UONOGXRCSA-N -1 0 336.457 3.831 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)Nc1nc(C2CC2)cs1 ZINC000833166460 601884532 /nfs/dbraw/zinc/88/45/32/601884532.db2.gz YSAWCFKLBVBNDC-NWDGAFQWSA-N -1 0 337.445 3.566 20 0 EHADRM O=C([O-])c1ccc(CSc2nnc(-c3ccccc3F)o2)s1 ZINC000833316767 601890722 /nfs/dbraw/zinc/89/07/22/601890722.db2.gz DPHFIYRWVRIFHN-UHFFFAOYSA-N -1 0 336.369 3.928 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)c1cc(Cl)nc(Cl)c1 ZINC000833131837 601907885 /nfs/dbraw/zinc/90/78/85/601907885.db2.gz HYRSYSYHOGFUCN-MNOVXSKESA-N -1 0 345.226 3.542 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)N[C@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000262055214 601913371 /nfs/dbraw/zinc/91/33/71/601913371.db2.gz AMRZXACDLNLBFV-OIISXLGYSA-N -1 0 347.455 3.729 20 0 EHADRM C[C@H](CNc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000827512995 601916446 /nfs/dbraw/zinc/91/64/46/601916446.db2.gz VSQMUZPGEJPMQF-LLVKDONJSA-N -1 0 347.802 3.660 20 0 EHADRM CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000539570827 601918699 /nfs/dbraw/zinc/91/86/99/601918699.db2.gz UJILZYJCMWVJQN-OAHLLOKOSA-N -1 0 347.798 3.512 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2cc(F)c(Cl)cc2Cl)c1 ZINC000238137748 601927432 /nfs/dbraw/zinc/92/74/32/601927432.db2.gz AIHNRZFZFXIFGN-UHFFFAOYSA-N -1 0 342.153 3.761 20 0 EHADRM CC(C)[C@@H](CC(=O)NCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000532254534 601928431 /nfs/dbraw/zinc/92/84/31/601928431.db2.gz LCYPOUQNDJLNFZ-GOSISDBHSA-N -1 0 325.408 3.831 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(Oc3ccc4c[nH]nc4c3)c12 ZINC000833003342 601931139 /nfs/dbraw/zinc/93/11/39/601931139.db2.gz PDRUYTIGQCMZJC-UHFFFAOYSA-N -1 0 340.364 3.675 20 0 EHADRM C[C@H]1CCCCN1C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000828252391 601951763 /nfs/dbraw/zinc/95/17/63/601951763.db2.gz TVMOPXNEGGKXHI-VIFPVBQESA-N -1 0 330.306 3.810 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2cccc(OC(F)(F)F)c2)c1 ZINC000191058726 601958788 /nfs/dbraw/zinc/95/87/88/601958788.db2.gz RHHUMRUFNZAMCU-UHFFFAOYSA-N -1 0 343.232 3.675 20 0 EHADRM Cc1cc(COC(=O)c2cncc(-c3ccccc3)c2)oc1C(=O)[O-] ZINC000832884882 601985812 /nfs/dbraw/zinc/98/58/12/601985812.db2.gz HAQSVBOVIYOLAE-UHFFFAOYSA-N -1 0 337.331 3.705 20 0 EHADRM Cc1coc(-c2ccc(C)c(NC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)c2)n1 ZINC000832987413 601993253 /nfs/dbraw/zinc/99/32/53/601993253.db2.gz GEHCVBSALCBEKD-ZFWWWQNUSA-N -1 0 342.395 3.788 20 0 EHADRM CSc1ccc(Cl)c(C(=O)Nc2ccc(NC(=O)[O-])nc2)c1 ZINC000740017201 601995691 /nfs/dbraw/zinc/99/56/91/601995691.db2.gz YSEYDWSAVWHARI-UHFFFAOYSA-N -1 0 337.788 3.799 20 0 EHADRM COc1cc2ccccc2cc1C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000739870596 601996681 /nfs/dbraw/zinc/99/66/81/601996681.db2.gz AOOVOAKVGFSTMO-UHFFFAOYSA-N -1 0 337.335 3.586 20 0 EHADRM CCCN1Cc2cccc(NC(=O)c3cccc(NC(=O)[O-])c3)c2C1 ZINC000737029594 601998199 /nfs/dbraw/zinc/99/81/99/601998199.db2.gz BMRBYCBGWOFJLU-UHFFFAOYSA-N -1 0 339.395 3.754 20 0 EHADRM CCCc1nc(C)c(C(=O)OCc2ccc(C(=O)[O-])s2)s1 ZINC000829570611 602003482 /nfs/dbraw/zinc/00/34/82/602003482.db2.gz JONVBYUIFGKYJT-UHFFFAOYSA-N -1 0 325.411 3.521 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)CC(c2ccccc2)c2ccccc2)C1 ZINC000237643264 602004540 /nfs/dbraw/zinc/00/45/40/602004540.db2.gz MTBMXIORNXCUHZ-OAQYLSRUSA-N -1 0 337.419 3.532 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)CC2CCC(c3ccccc3)CC2)C1 ZINC000237643299 602008881 /nfs/dbraw/zinc/00/88/81/602008881.db2.gz LQDKLLRNQOMDBE-MKJPBZQASA-N -1 0 329.440 3.674 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)s1 ZINC000833313853 602011720 /nfs/dbraw/zinc/01/17/20/602011720.db2.gz DNINJLSQMOAWIZ-WDEREUQCSA-N -1 0 338.331 3.571 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000829014580 602012122 /nfs/dbraw/zinc/01/21/22/602012122.db2.gz KPBXZGJPHXQTAE-CQSZACIVSA-N -1 0 334.393 3.656 20 0 EHADRM CCCCCCOc1ccc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000236661956 602013760 /nfs/dbraw/zinc/01/37/60/602013760.db2.gz LDTJGTHTXCNNRH-IBGZPJMESA-N -1 0 333.428 3.583 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2occc2CSc2ccccc2)C1 ZINC000237655364 602016371 /nfs/dbraw/zinc/01/63/71/602016371.db2.gz QRFSQDJDIUFZAF-GOSISDBHSA-N -1 0 345.420 3.509 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)Nc2cccc(OCCF)c2)c1 ZINC000833290331 602025569 /nfs/dbraw/zinc/02/55/69/602025569.db2.gz ZPEQEQOPVPFWNC-UHFFFAOYSA-N -1 0 333.319 3.769 20 0 EHADRM COc1c(C)ccc(NC(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])c1C ZINC000831847648 602030068 /nfs/dbraw/zinc/03/00/68/602030068.db2.gz QFFFPLMVNYTDBY-GOEBONIOSA-N -1 0 348.443 3.857 20 0 EHADRM O=C([O-])NC1CCC(C(=O)N2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000740551148 602039324 /nfs/dbraw/zinc/03/93/24/602039324.db2.gz MCKSJJFQZHFNAT-WWDZGPRUSA-N -1 0 344.455 3.609 20 0 EHADRM O=C([O-])N1CCC(CC(=O)N2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000740497403 602039494 /nfs/dbraw/zinc/03/94/94/602039494.db2.gz PMUHSRFRKWXPMY-GOSISDBHSA-N -1 0 344.455 3.563 20 0 EHADRM CSCc1cccc(NC(=O)NCc2cccc(C(=O)[O-])c2)c1 ZINC000832770856 602040657 /nfs/dbraw/zinc/04/06/57/602040657.db2.gz KMEIXEZGMCOIRN-UHFFFAOYSA-N -1 0 330.409 3.570 20 0 EHADRM CC(C)c1ccc([C@@H](C)NC(=O)N2CCC[C@H](CNC(=O)[O-])C2)cc1 ZINC000738875374 602060502 /nfs/dbraw/zinc/06/05/02/602060502.db2.gz FWTWVKGIBRFDTN-HUUCEWRRSA-N -1 0 347.459 3.560 20 0 EHADRM C[C@@H](NC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccc(C(C)(C)C)cc1 ZINC000263142520 602061465 /nfs/dbraw/zinc/06/14/65/602061465.db2.gz ZYBPQJCPLXMIGI-BFUOFWGJSA-N -1 0 332.444 3.551 20 0 EHADRM CS[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC000832736585 602062591 /nfs/dbraw/zinc/06/25/91/602062591.db2.gz YIGQATMPLUYNIF-GFCCVEGCSA-N -1 0 345.420 3.654 20 0 EHADRM CCc1nc2c(s1)[C@H](N(C)C(=O)c1cccc(C(=O)[O-])c1)CCC2 ZINC000191630830 602065608 /nfs/dbraw/zinc/06/56/08/602065608.db2.gz SSVUYJJVLBDLFY-CQSZACIVSA-N -1 0 344.436 3.553 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)CCCCC(=O)c2ccccc2)c1 ZINC000533195250 602066726 /nfs/dbraw/zinc/06/67/26/602066726.db2.gz WULXDGDUHHVADW-UHFFFAOYSA-N -1 0 339.391 3.696 20 0 EHADRM Cc1ccc(C)c(SCC(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000237660298 602067077 /nfs/dbraw/zinc/06/70/77/602067077.db2.gz ANJDEVQEJIOGFJ-UHFFFAOYSA-N -1 0 329.421 3.661 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000238111449 602067179 /nfs/dbraw/zinc/06/71/79/602067179.db2.gz TYLGDMMDHOOMOJ-UHFFFAOYSA-N -1 0 341.260 3.724 20 0 EHADRM Cc1ccc(SCC(=O)Nc2cccc(CC(=O)[O-])c2)c(C)c1 ZINC000345894670 602071621 /nfs/dbraw/zinc/07/16/21/602071621.db2.gz XAPCXXLYLPYABO-UHFFFAOYSA-N -1 0 329.421 3.661 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000532695851 602074839 /nfs/dbraw/zinc/07/48/39/602074839.db2.gz GRWRIJOUIWCWAJ-ZTFGCOKTSA-N -1 0 347.455 3.730 20 0 EHADRM Cn1c(C(=O)Nc2cccc(CC(=O)[O-])c2)ccc1-c1ccccc1 ZINC000738400747 602078301 /nfs/dbraw/zinc/07/83/01/602078301.db2.gz SBJKITSUNLWKPO-UHFFFAOYSA-N -1 0 334.375 3.572 20 0 EHADRM O=C([O-])[C@@H](OC(=O)Cc1cccs1)c1cc(Cl)cc(Cl)c1 ZINC000833118476 602081137 /nfs/dbraw/zinc/08/11/37/602081137.db2.gz PAYHUYNUAMIDCS-ZDUSSCGKSA-N -1 0 345.203 3.967 20 0 EHADRM Cc1ncccc1C(=O)O[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000833009452 602086340 /nfs/dbraw/zinc/08/63/40/602086340.db2.gz VSKADUAZIOYCNJ-ZDUSSCGKSA-N -1 0 340.162 3.680 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@H]1C[C@H]1C1CC1)c1cc(Cl)cc(Cl)c1 ZINC000833170517 602089942 /nfs/dbraw/zinc/08/99/42/602089942.db2.gz QGADTKSISJXINZ-RWMBFGLXSA-N -1 0 329.179 3.708 20 0 EHADRM CCC(=O)c1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)[O-])cc1 ZINC000828573999 602098822 /nfs/dbraw/zinc/09/88/22/602098822.db2.gz HIOZLMGTSHNJGA-UHFFFAOYSA-N -1 0 331.393 3.908 20 0 EHADRM CN(Cc1ccccc1NC(=O)Cc1cccc(Cl)c1)C(=O)[O-] ZINC000739714209 602099243 /nfs/dbraw/zinc/09/92/43/602099243.db2.gz NDJQZAQXAADOPB-UHFFFAOYSA-N -1 0 332.787 3.631 20 0 EHADRM CSCc1cccc(NC(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000738146212 602102838 /nfs/dbraw/zinc/10/28/38/602102838.db2.gz HRSCDMAFERISNG-UHFFFAOYSA-N -1 0 330.409 3.821 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Nc2ccc(OCC3CC3)cc2)c1 ZINC000568974870 602102986 /nfs/dbraw/zinc/10/29/86/602102986.db2.gz IFUBEHGDCDOYAC-UHFFFAOYSA-N -1 0 340.379 3.747 20 0 EHADRM O=C([O-])C1(NC(=O)c2cc(C(F)(F)F)ccc2F)CCCCCC1 ZINC000325418224 602108847 /nfs/dbraw/zinc/10/88/47/602108847.db2.gz VRESWMNKDRHCBV-UHFFFAOYSA-N -1 0 347.308 3.752 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000827272993 602114760 /nfs/dbraw/zinc/11/47/60/602114760.db2.gz PVEJPYKVKLMTNF-CXAGYDPISA-N -1 0 345.826 3.851 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)c1cc(SC)c(Cl)cc1Cl ZINC000236937676 602125584 /nfs/dbraw/zinc/12/55/84/602125584.db2.gz KXWUJOHWEMHISE-UHFFFAOYSA-N -1 0 336.240 3.652 20 0 EHADRM O=C([O-])c1ccc(F)c(NCc2nnc(-c3ccccc3Cl)o2)c1 ZINC000833318863 602127769 /nfs/dbraw/zinc/12/77/69/602127769.db2.gz HIBDDORAJMZHQC-UHFFFAOYSA-N -1 0 347.733 3.839 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000827874410 602137659 /nfs/dbraw/zinc/13/76/59/602137659.db2.gz ZRCRXNNCHXPVGR-LLVKDONJSA-N -1 0 338.379 3.982 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000181653739 602140206 /nfs/dbraw/zinc/14/02/06/602140206.db2.gz FVRWLQSYJOGVCB-QAPCUYQASA-N -1 0 347.455 3.837 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)Nc1cccc(-c2ccc3ccccc3c2)n1 ZINC000827318394 602141045 /nfs/dbraw/zinc/14/10/45/602141045.db2.gz WWOOLEXOZYGURS-CYBMUJFWSA-N -1 0 334.375 3.951 20 0 EHADRM Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)[C@@H](C)CC(=O)[O-])cc1 ZINC000832909589 602147071 /nfs/dbraw/zinc/14/70/71/602147071.db2.gz PIOYAMLNRUDZID-ZDUSSCGKSA-N -1 0 343.427 3.528 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1 ZINC000827310044 602147643 /nfs/dbraw/zinc/14/76/43/602147643.db2.gz FNHOZLSOTOOQQI-LLVKDONJSA-N -1 0 349.333 3.593 20 0 EHADRM CSc1ccc(-c2csc(NC(=O)[C@H](C)CC(=O)[O-])n2)cc1 ZINC000832774473 602154815 /nfs/dbraw/zinc/15/48/15/602154815.db2.gz LTNBKFFHNQDABC-SECBINFHSA-N -1 0 336.438 3.581 20 0 EHADRM Cc1ccc2ccccc2c1CSc1[nH]c(=O)nc(C)c1C(=O)[O-] ZINC000832961018 602159106 /nfs/dbraw/zinc/15/91/06/602159106.db2.gz XMAUIJKSGZZATB-UHFFFAOYSA-N -1 0 340.404 3.943 20 0 EHADRM Cc1cc(OCc2nc(-c3ccc(F)c(C)c3)no2)c(C(=O)[O-])s1 ZINC000832900716 602159146 /nfs/dbraw/zinc/15/91/46/602159146.db2.gz KILZVFMURNONIH-UHFFFAOYSA-N -1 0 348.355 3.831 20 0 EHADRM COc1cc(OC)cc([C@H](Nc2cccc(SC)c2)C(=O)[O-])c1 ZINC000832065159 602163011 /nfs/dbraw/zinc/16/30/11/602163011.db2.gz HRHIILSLZHBRPO-INIZCTEOSA-N -1 0 333.409 3.664 20 0 EHADRM C[C@@H](NC(=O)N(C)C1CCCCCCC1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738966251 602173473 /nfs/dbraw/zinc/17/34/73/602173473.db2.gz YBTUHIRMPWSMPY-HUUCEWRRSA-N -1 0 339.480 3.519 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)c1cnc(-c2ccccn2)s1 ZINC000740716184 602173563 /nfs/dbraw/zinc/17/35/63/602173563.db2.gz VMLDACLQNALWDG-UHFFFAOYSA-N -1 0 340.364 3.547 20 0 EHADRM O=C([O-])[C@H](NCc1csc(-c2ccccc2)n1)c1ccccc1F ZINC000426779972 602177543 /nfs/dbraw/zinc/17/75/43/602177543.db2.gz NAVFJIYQJWIZHY-MRXNPFEDSA-N -1 0 342.395 3.865 20 0 EHADRM Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(C(=O)[O-])cs3)cc2)n1 ZINC000191356678 602178792 /nfs/dbraw/zinc/17/87/92/602178792.db2.gz IECBCBUDOGSEPE-UHFFFAOYSA-N -1 0 341.392 3.501 20 0 EHADRM O=C([O-])Nc1cccc(-c2nc(COc3ccc(F)cc3)no2)c1 ZINC000833291448 602184000 /nfs/dbraw/zinc/18/40/00/602184000.db2.gz ZHOUKALWBTXPAH-UHFFFAOYSA-N -1 0 329.287 3.545 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2ccc(F)c(Br)c2)c1 ZINC000833342701 602185209 /nfs/dbraw/zinc/18/52/09/602185209.db2.gz MVWMSRRFMKQKDM-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM Cc1cc2occ(CC(=O)Nc3cc(C(=O)[O-])cs3)c2cc1C ZINC000574825562 602186562 /nfs/dbraw/zinc/18/65/62/602186562.db2.gz SKQNGVUVVNCEKM-UHFFFAOYSA-N -1 0 329.377 3.991 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2ccc(F)cc2Br)c1 ZINC000833342766 602187383 /nfs/dbraw/zinc/18/73/83/602187383.db2.gz QFFJBBYPIIANJY-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000191354934 602187588 /nfs/dbraw/zinc/18/75/88/602187588.db2.gz GIEACWWPWYHOCU-VIFPVBQESA-N -1 0 339.413 3.952 20 0 EHADRM COc1ccccc1CC(C)(C)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000572794720 602188012 /nfs/dbraw/zinc/18/80/12/602188012.db2.gz GYWMCXJYDUBVTH-UHFFFAOYSA-N -1 0 333.409 3.662 20 0 EHADRM CCN(CC)c1ccc(NC(=O)c2ccc(CNC(=O)[O-])cc2)cc1 ZINC000739413060 602195174 /nfs/dbraw/zinc/19/51/74/602195174.db2.gz FYOGGPSMYFQLHB-UHFFFAOYSA-N -1 0 341.411 3.553 20 0 EHADRM CC1(C)C[C@@H](NC(=O)c2ccc(NC(=O)[O-])cc2)c2ccccc2O1 ZINC000828056733 602198155 /nfs/dbraw/zinc/19/81/55/602198155.db2.gz WAVXVIJDWPEZAZ-OAHLLOKOSA-N -1 0 340.379 3.809 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)c2cc3sccc3s2)c1 ZINC000740679897 602199490 /nfs/dbraw/zinc/19/94/90/602199490.db2.gz GLRKBANPHDDNQG-UHFFFAOYSA-N -1 0 332.406 3.983 20 0 EHADRM Cc1ccc2nc(NC(=O)c3ccc(CNC(=O)[O-])cc3)sc2c1 ZINC000740155271 602224711 /nfs/dbraw/zinc/22/47/11/602224711.db2.gz IATLOIWFKBJXRJ-UHFFFAOYSA-N -1 0 341.392 3.625 20 0 EHADRM CCC[C@@H]1C[C@@H]1NC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000829257445 602227513 /nfs/dbraw/zinc/22/75/13/602227513.db2.gz ZGTYROURNGULSE-WBMJQRKESA-N -1 0 342.395 3.613 20 0 EHADRM C[C@@H]1CCCN(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)C1 ZINC000828266512 602227838 /nfs/dbraw/zinc/22/78/38/602227838.db2.gz WEMMTTDOIWUTMX-CYBMUJFWSA-N -1 0 342.395 3.567 20 0 EHADRM COc1cccc(C=C2CCN(Cc3cc(C(=O)[O-])co3)CC2)c1 ZINC000832546413 602231109 /nfs/dbraw/zinc/23/11/09/602231109.db2.gz ZXFKSXNVLGBKHG-UHFFFAOYSA-N -1 0 327.380 3.666 20 0 EHADRM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCO[C@@H](c2cccs2)C1 ZINC000583030250 602232750 /nfs/dbraw/zinc/23/27/50/602232750.db2.gz NDPHHDXRHKRSNY-UKRRQHHQSA-N -1 0 337.828 3.601 20 0 EHADRM CCCOc1cccc(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])c1 ZINC000739374528 602238699 /nfs/dbraw/zinc/23/86/99/602238699.db2.gz YWLIKCVVTUIAKZ-UHFFFAOYSA-N -1 0 340.379 3.768 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CCc2c(F)cc(F)cc2C1 ZINC000832917244 602239328 /nfs/dbraw/zinc/23/93/28/602239328.db2.gz UCVRELCFYQXZGQ-UHFFFAOYSA-N -1 0 346.333 3.562 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)c3ccc(-c4cnco4)cc3)ccc21 ZINC000740471627 602239428 /nfs/dbraw/zinc/23/94/28/602239428.db2.gz XUWBYPPEKZZCLM-UHFFFAOYSA-N -1 0 349.346 3.634 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000827271950 602239586 /nfs/dbraw/zinc/23/95/86/602239586.db2.gz MEXZNEAPHCJTRJ-APPDUMDISA-N -1 0 349.789 3.796 20 0 EHADRM Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)CCNC(=O)[O-] ZINC000738239027 602246230 /nfs/dbraw/zinc/24/62/30/602246230.db2.gz GMMBNEUWQRLCJD-AWEZNQCLSA-N -1 0 342.395 3.731 20 0 EHADRM CCC(CC)(C(=O)N[C@H](C)C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000236873510 602249687 /nfs/dbraw/zinc/24/96/87/602249687.db2.gz DRVGIXADLFCHBC-SECBINFHSA-N -1 0 332.227 3.641 20 0 EHADRM Cc1ccc(F)c(OCC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000262235229 602252643 /nfs/dbraw/zinc/25/26/43/602252643.db2.gz VUXYNMJENZBEFG-UHFFFAOYSA-N -1 0 345.370 3.514 20 0 EHADRM Cc1cccc(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)c1 ZINC000237917322 602263489 /nfs/dbraw/zinc/26/34/89/602263489.db2.gz BTFCRMYEMPIZCN-UHFFFAOYSA-N -1 0 335.359 3.864 20 0 EHADRM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)CCCN(C)C(=O)[O-] ZINC000832891749 602264034 /nfs/dbraw/zinc/26/40/34/602264034.db2.gz YJIYEBUKZBGGJT-HNNXBMFYSA-N -1 0 347.459 3.702 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000827873757 602264938 /nfs/dbraw/zinc/26/49/38/602264938.db2.gz NYJFIHOWKGRTFR-MLGOLLRUSA-N -1 0 338.375 3.623 20 0 EHADRM CCc1ccc(-c2nc(COC(=O)[C@H](C)CC(=O)[O-])cs2)cc1 ZINC000830228888 602276111 /nfs/dbraw/zinc/27/61/11/602276111.db2.gz GTNNFTKXGTZHDL-LLVKDONJSA-N -1 0 333.409 3.527 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)N3CCC[C@@H]3C3CCCC3)ccc21 ZINC000740529099 602277654 /nfs/dbraw/zinc/27/76/54/602277654.db2.gz HNQFMVNIIUSJLZ-MRXNPFEDSA-N -1 0 343.427 3.914 20 0 EHADRM CC(C)Sc1ccccc1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263029453 602281374 /nfs/dbraw/zinc/28/13/74/602281374.db2.gz KJUYTGNUKKGSQH-UHFFFAOYSA-N -1 0 336.457 3.952 20 0 EHADRM CC[C@](C)(NC(=O)Nc1cc(C(=O)[O-])cs1)c1nc(C)cs1 ZINC000828685591 602289589 /nfs/dbraw/zinc/28/95/89/602289589.db2.gz OJSOKIWVAKPIOY-AWEZNQCLSA-N -1 0 339.442 3.658 20 0 EHADRM C[C@@H](NC(=O)[O-])C(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1 ZINC000738993950 602302716 /nfs/dbraw/zinc/30/27/16/602302716.db2.gz HTEVRAXAGBCNKV-SECBINFHSA-N -1 0 336.750 3.741 20 0 EHADRM CN(C[C@@H]1CCCN(C(=O)Nc2ccc3ccccc3c2)C1)C(=O)[O-] ZINC000739636484 602327684 /nfs/dbraw/zinc/32/76/84/602327684.db2.gz CLZCTGDIPBXLOM-AWEZNQCLSA-N -1 0 341.411 3.694 20 0 EHADRM CC[C@H](Cc1ccccc1)N(CC)C(=O)c1cccc(C(=O)[O-])c1 ZINC000540668532 602329123 /nfs/dbraw/zinc/32/91/23/602329123.db2.gz URROSFPOXCBJFE-GOSISDBHSA-N -1 0 325.408 3.868 20 0 EHADRM CC(C)c1ccc(-c2noc(CN(CC(=O)[O-])C3CCCC3)n2)cc1 ZINC000572663645 602334892 /nfs/dbraw/zinc/33/48/92/602334892.db2.gz SUWDJIYGIWWQJO-UHFFFAOYSA-N -1 0 343.427 3.689 20 0 EHADRM Cc1nc2ccc(NC(=O)[C@H](NC(=O)[O-])c3ccccc3)cc2s1 ZINC000740229621 602335192 /nfs/dbraw/zinc/33/51/92/602335192.db2.gz LOZMAAVHZYSCJC-OAHLLOKOSA-N -1 0 341.392 3.552 20 0 EHADRM CC[C@H](CC(=O)N1CCCC[C@H]1[C@H](C)NC(=O)[O-])c1ccccc1 ZINC000739249973 602338533 /nfs/dbraw/zinc/33/85/33/602338533.db2.gz PZTLSKZRUPUYFY-UXLLHSPISA-N -1 0 332.444 3.608 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F ZINC000776619768 602345348 /nfs/dbraw/zinc/34/53/48/602345348.db2.gz PKCHDQMQNJYQMR-XYOKQWHBSA-N -1 0 349.736 3.609 20 0 EHADRM CCC[C@@H](NC(=O)[O-])C(=O)Nc1ccccc1Oc1ccccc1 ZINC000739324868 602354034 /nfs/dbraw/zinc/35/40/34/602354034.db2.gz FVAHEHMCZCHOSM-OAHLLOKOSA-N -1 0 328.368 3.854 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2csc(-c3ccccc3)n2)cc1F ZINC000767200865 602354887 /nfs/dbraw/zinc/35/48/87/602354887.db2.gz HPLICDLVQSKKBK-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM O=C([O-])c1cc(Oc2ccccc2)ccc1NC(=O)[C@H]1CCSC1 ZINC000833301321 602362692 /nfs/dbraw/zinc/36/26/92/602362692.db2.gz WTXFQVIYANCTHV-LBPRGKRZSA-N -1 0 343.404 3.869 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N(CCc2ccccc2)C2CC2)cc1F ZINC000833319036 602377697 /nfs/dbraw/zinc/37/76/97/602377697.db2.gz PZOJRVOCAHXXAY-UHFFFAOYSA-N -1 0 342.370 3.763 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(C(=O)[O-])c(F)c1)Sc1ccccc1 ZINC000827486327 602379842 /nfs/dbraw/zinc/37/98/42/602379842.db2.gz LKRONABWSLLTKL-LLVKDONJSA-N -1 0 348.399 3.826 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCc2cccc3ccccc32)cc1F ZINC000327697941 602379962 /nfs/dbraw/zinc/37/99/62/602379962.db2.gz VTVNFVHCALWQIW-UHFFFAOYSA-N -1 0 338.338 3.999 20 0 EHADRM Cc1ccc(-c2nc(CN3CCC(CN(C)C(=O)[O-])CC3)cs2)o1 ZINC000740093210 602382555 /nfs/dbraw/zinc/38/25/55/602382555.db2.gz UVNXXRJVHIIOQT-UHFFFAOYSA-N -1 0 349.456 3.533 20 0 EHADRM CC(C)c1nc2cc(NC(=O)C3CCC(NC(=O)[O-])CC3)ccc2o1 ZINC000738881206 602389131 /nfs/dbraw/zinc/38/91/31/602389131.db2.gz URDIMTVOJYTYQB-UHFFFAOYSA-N -1 0 345.399 3.716 20 0 EHADRM C[C@]1(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CCCc2ccccc21 ZINC000767206177 602393804 /nfs/dbraw/zinc/39/38/04/602393804.db2.gz PMJLIVAWWIPFDC-IBGZPJMESA-N -1 0 327.355 3.757 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cc1F ZINC000322877343 602394465 /nfs/dbraw/zinc/39/44/65/602394465.db2.gz SSGIISDPMWPBCQ-UHFFFAOYSA-N -1 0 333.746 3.848 20 0 EHADRM COc1ccccc1C/C(C)=C/C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000776648060 602395479 /nfs/dbraw/zinc/39/54/79/602395479.db2.gz YBEZORZORATYAT-ZRDIBKRKSA-N -1 0 343.354 3.660 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000833156959 602397388 /nfs/dbraw/zinc/39/73/88/602397388.db2.gz LUOQHUULGLIRFB-UHFFFAOYSA-N -1 0 344.273 3.570 20 0 EHADRM Cc1cc(Cl)ccc1NC(=O)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000740074667 602408825 /nfs/dbraw/zinc/40/88/25/602408825.db2.gz GDWYIFCFKSTDDW-UHFFFAOYSA-N -1 0 339.823 3.502 20 0 EHADRM COc1cccc([C@@H]2C[C@H]2c2nc([C@@H](CC(C)C)NC(=O)[O-])no2)c1 ZINC000739950681 602410625 /nfs/dbraw/zinc/41/06/25/602410625.db2.gz PNVURBNUXUTBSH-RRFJBIMHSA-N -1 0 345.399 3.704 20 0 EHADRM C[C@H](Cc1nc(C2(NC(=O)[O-])CCCC2)no1)c1ccccc1F ZINC000738947900 602412825 /nfs/dbraw/zinc/41/28/25/602412825.db2.gz YDSXQVXJYOZHTJ-LLVKDONJSA-N -1 0 333.363 3.592 20 0 EHADRM Cc1ccc(CCc2nc(C3(NC(=O)[O-])CCCC3)no2)c(C)c1 ZINC000740121347 602413429 /nfs/dbraw/zinc/41/34/29/602413429.db2.gz JPWWZUWMVVPQGM-UHFFFAOYSA-N -1 0 329.400 3.509 20 0 EHADRM O=C([O-])NC1(c2noc([C@H]3C[C@H]3c3cccc(Cl)c3)n2)CCC1 ZINC000740548211 602415972 /nfs/dbraw/zinc/41/59/72/602415972.db2.gz FXZOYGKMZSPMQN-RYUDHWBXSA-N -1 0 333.775 3.641 20 0 EHADRM O=C([O-])NCc1cccc(OCc2cc(-c3cccs3)on2)c1 ZINC000740681337 602426666 /nfs/dbraw/zinc/42/66/66/602426666.db2.gz GIVSYQQYJVRSRZ-UHFFFAOYSA-N -1 0 330.365 3.750 20 0 EHADRM CC(=O)c1ccc(NC(=S)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738603794 602431042 /nfs/dbraw/zinc/43/10/42/602431042.db2.gz UPKZGAOHRPVBCL-UHFFFAOYSA-N -1 0 329.381 3.788 20 0 EHADRM CN(C(=O)Nc1cccc(CNC(=O)[O-])c1)[C@H]1CCc2ccccc21 ZINC000739574275 602452660 /nfs/dbraw/zinc/45/26/60/602452660.db2.gz DVQPTUANPLRMPA-KRWDZBQOSA-N -1 0 339.395 3.605 20 0 EHADRM CC(=O)c1cccc(NC(=O)CC[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000738601758 602453066 /nfs/dbraw/zinc/45/30/66/602453066.db2.gz NFYLBITYOZDYDN-KRWDZBQOSA-N -1 0 340.379 3.617 20 0 EHADRM CC(C)N(CCC(=O)Nc1cccnc1Oc1ccccc1)C(=O)[O-] ZINC000738844464 602458865 /nfs/dbraw/zinc/45/88/65/602458865.db2.gz MYYRZAXGLWTBLW-UHFFFAOYSA-N -1 0 343.383 3.591 20 0 EHADRM C[C@@H](NC(=O)[O-])C1CCN(C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000739009129 602463893 /nfs/dbraw/zinc/46/38/93/602463893.db2.gz NHZQULWVNHCFJM-CYBMUJFWSA-N -1 0 341.411 3.740 20 0 EHADRM COc1ccc(NC(=O)CC[C@H](NC(=O)[O-])c2ccccc2)c(C)c1 ZINC000739921814 602473147 /nfs/dbraw/zinc/47/31/47/602473147.db2.gz TUJAOVMMSKTMNY-KRWDZBQOSA-N -1 0 342.395 3.731 20 0 EHADRM CN(C[C@@H]1CCN(C(=O)c2ccc(C3CCCCC3)cc2)C1)C(=O)[O-] ZINC000739655922 602479742 /nfs/dbraw/zinc/47/97/42/602479742.db2.gz IOIUREDEPCTAAH-HNNXBMFYSA-N -1 0 344.455 3.806 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2cc(Cl)ccc2F)ccc1F ZINC000740698216 602482234 /nfs/dbraw/zinc/48/22/34/602482234.db2.gz ODTOCROIMQDRHJ-UHFFFAOYSA-N -1 0 326.686 3.960 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(F)c(NC(=O)[O-])c2)[C@H]2CCCC[C@H]12 ZINC000739112351 602484569 /nfs/dbraw/zinc/48/45/69/602484569.db2.gz HMYPSJHEIZQUCK-KFNAQCHYSA-N -1 0 334.391 3.956 20 0 EHADRM CN(C)c1ccc([C@@H]2C[C@@H]2C(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000737375974 602488262 /nfs/dbraw/zinc/48/82/62/602488262.db2.gz AJVXWMRNODIOLC-IRXDYDNUSA-N -1 0 339.395 3.585 20 0 EHADRM CC(C)(CNC(=O)c1ccc(F)c(NC(=O)[O-])c1)c1ccc(F)cc1 ZINC000738752800 602488359 /nfs/dbraw/zinc/48/83/59/602488359.db2.gz LMYKJZRTVGMJHB-UHFFFAOYSA-N -1 0 348.349 3.762 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2ccccc2OCC2CC2)cc1 ZINC000740712211 602504633 /nfs/dbraw/zinc/50/46/33/602504633.db2.gz XUKAGZNEEIWQJY-UHFFFAOYSA-N -1 0 326.352 3.818 20 0 EHADRM CCc1nc(C)c(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])s1 ZINC000739554140 602509441 /nfs/dbraw/zinc/50/94/41/602509441.db2.gz GDYBUPUQIRVSHJ-UHFFFAOYSA-N -1 0 345.424 3.697 20 0 EHADRM CC[C@H](NC(=O)[O-])C(=O)N(Cc1ccco1)c1ccc(Cl)cc1 ZINC000739521524 602511880 /nfs/dbraw/zinc/51/18/80/602511880.db2.gz SVMBURUVWKMGOG-AWEZNQCLSA-N -1 0 336.775 3.512 20 0 EHADRM C/C(=C/C(=O)Nc1cccc(CNC(=O)[O-])c1)c1cccc(F)c1 ZINC000738502022 602514851 /nfs/dbraw/zinc/51/48/51/602514851.db2.gz ATTHSIUTDIWJKN-WQLSENKSSA-N -1 0 328.343 3.635 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)c2c[nH]cc2-c2ccccc2)c1 ZINC000740679941 602514994 /nfs/dbraw/zinc/51/49/94/602514994.db2.gz HDQXJSLFVHZQIV-UHFFFAOYSA-N -1 0 335.363 3.702 20 0 EHADRM CC(C)(C(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccc(F)cc1 ZINC000738663248 602515978 /nfs/dbraw/zinc/51/59/78/602515978.db2.gz ZNXAZDALRHMBLW-UHFFFAOYSA-N -1 0 330.359 3.510 20 0 EHADRM CCN(C(=O)NCC[C@H](C)NC(=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000739379474 602556427 /nfs/dbraw/zinc/55/64/27/602556427.db2.gz CBNCCEPWKZMMRV-STQMWFEESA-N -1 0 347.415 3.572 20 0 EHADRM CN(C(=O)[O-])C1CCN(C(=O)Nc2ccccc2C(C)(C)C)CC1 ZINC000737933649 602558122 /nfs/dbraw/zinc/55/81/22/602558122.db2.gz UHBRLFVKHUVMNY-UHFFFAOYSA-N -1 0 333.432 3.590 20 0 EHADRM CC[C@@H](C)Sc1ccc(NC(=O)NCCN(C)C(=O)[O-])c(C)c1 ZINC000739249850 602594225 /nfs/dbraw/zinc/59/42/25/602594225.db2.gz OXUZDFFUVGYGSN-GFCCVEGCSA-N -1 0 339.461 3.617 20 0 EHADRM CC(C)c1cccc(C(C)C)c1NC(=O)N[C@H]1CCN(C(=O)[O-])C1 ZINC000738875388 602596510 /nfs/dbraw/zinc/59/65/10/602596510.db2.gz HNSOTDHUEQKYNT-ZDUSSCGKSA-N -1 0 333.432 3.807 20 0 EHADRM C[C@@H](Cc1ccccc1F)NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738945483 602604169 /nfs/dbraw/zinc/60/41/69/602604169.db2.gz AQGFXCQVLMYCTQ-NSHDSACASA-N -1 0 331.347 3.668 20 0 EHADRM CC(C)CO[C@H](C)C(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000738828337 602643347 /nfs/dbraw/zinc/64/33/47/602643347.db2.gz TZRHPVLRFLVCMV-SECBINFHSA-N -1 0 348.321 3.795 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2ccnc(F)c2)c(C(F)(F)F)c1 ZINC000740711852 602644182 /nfs/dbraw/zinc/64/41/82/602644182.db2.gz NARXNPBFCNAXKA-UHFFFAOYSA-N -1 0 343.236 3.582 20 0 EHADRM O=C([O-])NC1(C(=O)OCc2c(Cl)ccc3cccnc32)CCCC1 ZINC000740545457 602651994 /nfs/dbraw/zinc/65/19/94/602651994.db2.gz PLLLOKGEWVBKKO-UHFFFAOYSA-N -1 0 348.786 3.512 20 0 EHADRM CCS[C@@H]1CCCCN(C(=O)Nc2ccc(NC(=O)[O-])cc2)C1 ZINC000737228932 602674999 /nfs/dbraw/zinc/67/49/99/602674999.db2.gz HVXUTSDANVMEDU-CQSZACIVSA-N -1 0 337.445 3.916 20 0 EHADRM C[C@H](C(=O)Nc1cccc(CN(C)C(=O)[O-])c1)c1ccccc1F ZINC000738630089 602684253 /nfs/dbraw/zinc/68/42/53/602684253.db2.gz JHCIORGHIDTISW-LBPRGKRZSA-N -1 0 330.359 3.678 20 0 EHADRM Cc1ccc(F)c2c1N(C(=O)c1cccc(NC(=O)[O-])c1)CCC2 ZINC000738606677 602684996 /nfs/dbraw/zinc/68/49/96/602684996.db2.gz KGEJGJGJXTZJHT-UHFFFAOYSA-N -1 0 328.343 3.817 20 0 EHADRM CC(C)N(Cc1ccco1)C(=O)[C@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823654794 602761221 /nfs/dbraw/zinc/76/12/21/602761221.db2.gz MJNSBNITOHOXPP-PBHICJAKSA-N -1 0 344.411 3.662 20 0 EHADRM CCO[C@@H](C(=O)Nc1cc(NC(=O)[O-])ccc1F)c1ccccc1 ZINC000739482959 602783628 /nfs/dbraw/zinc/78/36/28/602783628.db2.gz DHODJEYHVKNBDI-OAHLLOKOSA-N -1 0 332.331 3.632 20 0 EHADRM COc1ccccc1C1(C(=O)Nc2cc(NC(=O)[O-])ccc2F)CC1 ZINC000739967993 602786185 /nfs/dbraw/zinc/78/61/85/602786185.db2.gz GVYKULBPGASWGP-UHFFFAOYSA-N -1 0 344.342 3.595 20 0 EHADRM CC(C)(CCC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1)NC(=O)[O-] ZINC000738742641 602786221 /nfs/dbraw/zinc/78/62/21/602786221.db2.gz JCVHCVHACHUMAH-OAHLLOKOSA-N -1 0 338.835 3.734 20 0 EHADRM CC(C)(CCC(=O)N(Cc1ccco1)c1ccccc1)NC(=O)[O-] ZINC000738740603 602786284 /nfs/dbraw/zinc/78/62/84/602786284.db2.gz UWIUBZFYYJAKRZ-UHFFFAOYSA-N -1 0 330.384 3.639 20 0 EHADRM Cc1ccc(-c2nc(CN3CC[C@H](NC(=O)[O-])[C@@H](C)C3)cs2)cc1 ZINC000740092297 602795665 /nfs/dbraw/zinc/79/56/65/602795665.db2.gz ASCDLTABRJDIOP-BBRMVZONSA-N -1 0 345.468 3.597 20 0 EHADRM COc1ccc(N(C(=O)CCC(C)(C)NC(=O)[O-])[C@@H](C)C2CC2)cc1 ZINC000739909673 602800631 /nfs/dbraw/zinc/80/06/31/602800631.db2.gz JMRUBPPCVQFBJA-ZDUSSCGKSA-N -1 0 348.443 3.653 20 0 EHADRM C[C@@H](CCC1CCCCC1)NC(=O)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737667724 602806781 /nfs/dbraw/zinc/80/67/81/602806781.db2.gz IVSNHCFIJLXUKL-AWEZNQCLSA-N -1 0 339.480 3.519 20 0 EHADRM C[C@H](NC(=O)CCC(C)(C)NC(=O)[O-])c1cccc(Cl)c1Cl ZINC000738962580 602808952 /nfs/dbraw/zinc/80/89/52/602808952.db2.gz ZBRRXPNJLODNQQ-VIFPVBQESA-N -1 0 347.242 3.997 20 0 EHADRM CC(C)c1cnc(NC(=O)CC[C@H](NC(=O)[O-])c2ccccc2)s1 ZINC000738878895 602813163 /nfs/dbraw/zinc/81/31/63/602813163.db2.gz JAUVCDNABSGPPM-ZDUSSCGKSA-N -1 0 347.440 3.994 20 0 EHADRM C[C@H]1c2c(F)cccc2CCN1C(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000739209101 602816960 /nfs/dbraw/zinc/81/69/60/602816960.db2.gz SUJYURORZGJGHC-LBPRGKRZSA-N -1 0 342.370 3.604 20 0 EHADRM CC(C)CC[C@@H](NC(=O)N1CCC[C@H](CNC(=O)[O-])C1)C(C)(C)C ZINC000738820985 602842965 /nfs/dbraw/zinc/84/29/65/602842965.db2.gz TUXMVYCTNKFNKX-HUUCEWRRSA-N -1 0 341.496 3.527 20 0 EHADRM O=C([O-])Nc1cc2ccccc2cc1C(=O)NCC1CCSCC1 ZINC000740694433 602853203 /nfs/dbraw/zinc/85/32/03/602853203.db2.gz CWAYCRRIRJUUMN-UHFFFAOYSA-N -1 0 344.436 3.803 20 0 EHADRM C[C@@H](NC(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000823714674 602881314 /nfs/dbraw/zinc/88/13/14/602881314.db2.gz QMODDHKZTCUKMY-VBQJREDUSA-N -1 0 326.396 3.509 20 0 EHADRM COc1cc(Cl)ccc1CNC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000829134690 602886147 /nfs/dbraw/zinc/88/61/47/602886147.db2.gz FDBDNHZVDYXZKU-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)Nc2ccc(NC(=O)[O-])cc2)s1 ZINC000738269238 602900200 /nfs/dbraw/zinc/90/02/00/602900200.db2.gz LWWSAWKZTSFRDB-JTQLQIEISA-N -1 0 333.413 3.899 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N1CCCC[C@@H]1[C@H](C)NC(=O)[O-] ZINC000740184103 602900759 /nfs/dbraw/zinc/90/07/59/602900759.db2.gz NFHVOMDAFDJDAM-HLLBOEOZSA-N -1 0 332.444 3.526 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000740184821 602908928 /nfs/dbraw/zinc/90/89/28/602908928.db2.gz RBIFSXQQAFWNMW-AWEZNQCLSA-N -1 0 326.396 3.895 20 0 EHADRM O=C([O-])N1[C@@H]2CC[C@H]1CC(OC(=O)CC/C=C\c1ccccc1)C2 ZINC000740353156 602926732 /nfs/dbraw/zinc/92/67/32/602926732.db2.gz GQVCLWRMQHOGOI-VOXNTSCDSA-N -1 0 329.396 3.697 20 0 EHADRM CC(C)(CC(=O)Nc1ccccc1Cc1ccccc1)NC(=O)[O-] ZINC000738738529 602932902 /nfs/dbraw/zinc/93/29/02/602932902.db2.gz NCGYWXCMZSGSFT-UHFFFAOYSA-N -1 0 326.396 3.652 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N(CCc2ccc(F)cc2)C2CC2)cc1 ZINC000738661530 602953155 /nfs/dbraw/zinc/95/31/55/602953155.db2.gz MIFFMFXWIVWLTC-UHFFFAOYSA-N -1 0 342.370 3.763 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)c2csc(-c3ccccn3)n2)cc1 ZINC000738669362 602958228 /nfs/dbraw/zinc/95/82/28/602958228.db2.gz QXXAAZSKPHQNGX-UHFFFAOYSA-N -1 0 341.348 3.514 20 0 EHADRM CC(C)(CC(=O)Nc1ccccc1COc1ccccc1)NC(=O)[O-] ZINC000738737984 602965395 /nfs/dbraw/zinc/96/53/95/602965395.db2.gz HTAQEEQMZHKUNW-UHFFFAOYSA-N -1 0 342.395 3.640 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)cc1 ZINC000738667475 602965798 /nfs/dbraw/zinc/96/57/98/602965798.db2.gz PMLXIYCKMCZQLX-CHWSQXEVSA-N -1 0 333.290 3.764 20 0 EHADRM Cc1ccc([C@H](C)CNC(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1 ZINC000830252076 602971884 /nfs/dbraw/zinc/97/18/84/602971884.db2.gz VRFUJOAHSLAIDN-CQSZACIVSA-N -1 0 326.396 3.927 20 0 EHADRM CCCCCC[C@](C)(CC)C(=O)N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000826820643 602979104 /nfs/dbraw/zinc/97/91/04/602979104.db2.gz NWVQQIYEFXBCHS-VKJFTORMSA-N -1 0 326.481 3.878 20 0 EHADRM C[C@@H](CC(=O)Nc1cccc(CSC2CCCC2)c1)NC(=O)[O-] ZINC000824703594 602984155 /nfs/dbraw/zinc/98/41/55/602984155.db2.gz NNAPYTPIFDMZJM-LBPRGKRZSA-N -1 0 336.457 3.847 20 0 EHADRM CC(C)(CC(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl)NC(=O)[O-] ZINC000738733316 602998906 /nfs/dbraw/zinc/99/89/06/602998906.db2.gz UGHIRUGWHVDKGU-NSHDSACASA-N -1 0 345.226 3.533 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccccc1 ZINC000739222158 603004798 /nfs/dbraw/zinc/00/47/98/603004798.db2.gz DXPJSHCYZMYQBE-AVAUJXNBSA-N -1 0 344.455 3.606 20 0 EHADRM Cc1cccc(O[C@@H](C)CNC(=O)c2ccc(C)c(NC(=O)[O-])c2)c1 ZINC000830521262 603008099 /nfs/dbraw/zinc/00/80/99/603008099.db2.gz FDAWYBJETRNMJC-AWEZNQCLSA-N -1 0 342.395 3.591 20 0 EHADRM CC[C@H](c1ccncc1)N(CC)C(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000739267762 603009187 /nfs/dbraw/zinc/00/91/87/603009187.db2.gz ZSCIBUOJXOXILY-QGZVFWFLSA-N -1 0 341.411 3.714 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)Nc2nc3ccsc3s2)cc1 ZINC000740703064 603009882 /nfs/dbraw/zinc/00/98/82/603009882.db2.gz MEBZNHYBLGKNJZ-UHFFFAOYSA-N -1 0 333.394 3.629 20 0 EHADRM C[C@@H](CN(C)C(=O)[O-])c1noc(COc2cccc3ccccc32)n1 ZINC000738914217 603015299 /nfs/dbraw/zinc/01/52/99/603015299.db2.gz PBNUPZXEYKTSOF-LBPRGKRZSA-N -1 0 341.367 3.515 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc([C@@H]2C[C@H]2c2cccc(Cl)c2)n1 ZINC000738906626 603016086 /nfs/dbraw/zinc/01/60/86/603016086.db2.gz JILNZNBLTLEBCN-JIMOISOXSA-N -1 0 335.791 3.707 20 0 EHADRM Cc1cccc([C@@H]2CCCCCN2C(=O)C2CCN(C(=O)[O-])CC2)c1 ZINC000738309452 603017317 /nfs/dbraw/zinc/01/73/17/603017317.db2.gz YWHZAQNFVCKPFH-SFHVURJKSA-N -1 0 344.455 3.829 20 0 EHADRM CCC[C@](C)(NC(=O)[O-])C(=O)Nc1ccc(Oc2ccccn2)cc1 ZINC000739298718 603032310 /nfs/dbraw/zinc/03/23/10/603032310.db2.gz GKOYBUDMDLDKBO-SFHVURJKSA-N -1 0 343.383 3.639 20 0 EHADRM CCC(CC)N(CCOC)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739254323 603034607 /nfs/dbraw/zinc/03/46/07/603034607.db2.gz PRRKPTWNAHDBIY-UHFFFAOYSA-N -1 0 341.383 3.585 20 0 EHADRM CC(C)n1cc([C@H](C)NC(=O)Nc2cc(NC(=O)[O-])ccc2F)cn1 ZINC000738991704 603035990 /nfs/dbraw/zinc/03/59/90/603035990.db2.gz VLDBOPMEWXJTKY-JTQLQIEISA-N -1 0 349.366 3.576 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000740576571 603036137 /nfs/dbraw/zinc/03/61/37/603036137.db2.gz YBKOWHUBTOOCCK-IAGOWNOFSA-N -1 0 345.443 3.806 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N[C@@H]2CSc3ccccc32)c1 ZINC000740704268 603040149 /nfs/dbraw/zinc/04/01/49/603040149.db2.gz ANCBXSBUQHFDQB-CYBMUJFWSA-N -1 0 347.371 3.884 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000740707084 603042219 /nfs/dbraw/zinc/04/22/19/603042219.db2.gz MJXAJUWVAJPDNV-CYBMUJFWSA-N -1 0 333.319 3.878 20 0 EHADRM COc1ccccc1[C@H](C)NC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739958944 603042673 /nfs/dbraw/zinc/04/26/73/603042673.db2.gz NCRMTVRPEWZHEQ-JTQLQIEISA-N -1 0 347.346 3.807 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(-c2cc3cc(F)ccc3o2)n1 ZINC000738814242 603053272 /nfs/dbraw/zinc/05/32/72/603053272.db2.gz BCLDWQSBEFDEBB-LLVKDONJSA-N -1 0 333.319 3.977 20 0 EHADRM CC(C)(CNC(=O)c1ccc(F)c(NC(=O)[O-])c1)c1cccc(F)c1 ZINC000738753172 603054192 /nfs/dbraw/zinc/05/41/92/603054192.db2.gz QHSVNIJKFOTSMC-UHFFFAOYSA-N -1 0 348.349 3.762 20 0 EHADRM CCc1ccc([C@H]2CCCCCN2C(=O)C2CCN(C(=O)[O-])CC2)o1 ZINC000737903397 603059610 /nfs/dbraw/zinc/05/96/10/603059610.db2.gz WBTPJTPNBBLDOJ-MRXNPFEDSA-N -1 0 348.443 3.676 20 0 EHADRM CC(C)N(CCC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1F)C(=O)[O-] ZINC000825853110 603061091 /nfs/dbraw/zinc/06/10/91/603061091.db2.gz UBPSBAJWTWFYKY-BBRMVZONSA-N -1 0 336.407 3.514 20 0 EHADRM C[C@H](CNC(=O)c1ccc(F)c(NC(=O)[O-])c1)Sc1ccccc1 ZINC000824973862 603065043 /nfs/dbraw/zinc/06/50/43/603065043.db2.gz PAJDYZPYRAGOIO-LLVKDONJSA-N -1 0 348.399 3.826 20 0 EHADRM O=C([O-])N1CCCC[C@@H]1C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000740460852 603080225 /nfs/dbraw/zinc/08/02/25/603080225.db2.gz HFENMWVSRAADDV-QGZVFWFLSA-N -1 0 346.427 3.617 20 0 EHADRM C[C@@H](NC(=O)[O-])C(=O)N(C)[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000825172644 603085229 /nfs/dbraw/zinc/08/52/29/603085229.db2.gz WMBGAYIRNNCMEQ-KGLIPLIRSA-N -1 0 326.396 3.529 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2)c2cc(Cl)ccc2O1 ZINC000826035255 603098351 /nfs/dbraw/zinc/09/83/51/603098351.db2.gz RVFXORCLSJUDTC-SNVBAGLBSA-N -1 0 346.770 3.858 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NCc2nc(-c3cccs3)no2)cc1 ZINC000739017768 603102298 /nfs/dbraw/zinc/10/22/98/603102298.db2.gz SUIJMDHMIUXWOL-SNVBAGLBSA-N -1 0 344.396 3.739 20 0 EHADRM Cc1ccc(C)c(NC(=O)CNc2ccc([C@@H](C)NC(=O)[O-])cc2)c1 ZINC000740116281 603103948 /nfs/dbraw/zinc/10/39/48/603103948.db2.gz RZSXGSFEFVOWFK-CQSZACIVSA-N -1 0 341.411 3.683 20 0 EHADRM C[C@H](CC1CCCC1)C(=O)N1CCC([C@@H]2CCCN2C(=O)[O-])CC1 ZINC000738896274 603109054 /nfs/dbraw/zinc/10/90/54/603109054.db2.gz NEOLJDYKZCLNDO-PBHICJAKSA-N -1 0 336.476 3.584 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)N2CCC[C@H]2CNC(=O)[O-])cc1 ZINC000824465161 603131140 /nfs/dbraw/zinc/13/11/40/603131140.db2.gz ZUCGNIIXCCIHCP-YOEHRIQHSA-N -1 0 332.444 3.562 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H](C(=O)Nc2ccccc2SC(F)F)C1 ZINC000740563672 603155432 /nfs/dbraw/zinc/15/54/32/603155432.db2.gz JSXSIVPBXWLPBU-VHSXEESVSA-N -1 0 344.383 3.766 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)COc1ccc(N(C)C(=O)[O-])cc1 ZINC000830329152 603160469 /nfs/dbraw/zinc/16/04/69/603160469.db2.gz NUTTYXXAENBNIA-UHFFFAOYSA-N -1 0 348.786 3.780 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1)c1cccnc1 ZINC000824685642 603172914 /nfs/dbraw/zinc/17/29/14/603172914.db2.gz ONNKJRAWCSASRY-STQMWFEESA-N -1 0 327.384 3.543 20 0 EHADRM C[C@H](CC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1)c1cccnc1 ZINC000824685638 603172932 /nfs/dbraw/zinc/17/29/32/603172932.db2.gz ONNKJRAWCSASRY-OLZOCXBDSA-N -1 0 327.384 3.543 20 0 EHADRM O=C([O-])N1CCc2c(cccc2NC(=S)Nc2ccccc2)C1 ZINC000740529086 603174070 /nfs/dbraw/zinc/17/40/70/603174070.db2.gz HKOKHWVUVUYXFT-UHFFFAOYSA-N -1 0 327.409 3.532 20 0 EHADRM C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000825616693 603179017 /nfs/dbraw/zinc/17/90/17/603179017.db2.gz IQRAYWRJKNBIKG-NWDGAFQWSA-N -1 0 346.358 3.560 20 0 EHADRM O=C([O-])N1CCc2c(cccc2NC(=O)c2ccc(C(F)F)cc2)C1 ZINC000740473761 603179740 /nfs/dbraw/zinc/17/97/40/603179740.db2.gz JZZQXPAIEMVSTN-UHFFFAOYSA-N -1 0 346.333 3.913 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)cc1C ZINC000740116592 603181630 /nfs/dbraw/zinc/18/16/30/603181630.db2.gz AVJUVTLYYISNFK-KSZLIROESA-N -1 0 344.455 3.793 20 0 EHADRM Cc1cccc(C)c1OCC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000830489193 603181714 /nfs/dbraw/zinc/18/17/14/603181714.db2.gz RIVXDDYNTCQRRO-AWEZNQCLSA-N -1 0 342.395 3.650 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2nccc3ccccc32)cc1 ZINC000825449345 603183122 /nfs/dbraw/zinc/18/31/22/603183122.db2.gz OSENEGMJTUKAEI-GFCCVEGCSA-N -1 0 335.363 3.816 20 0 EHADRM CO[C@@H]1CCC[C@H](OC(=O)c2ccc(NC(=O)[O-])cc2Cl)C1 ZINC000739802418 603199388 /nfs/dbraw/zinc/19/93/88/603199388.db2.gz LYGZUOFBSJNLKH-MNOVXSKESA-N -1 0 327.764 3.544 20 0 EHADRM CO[C@H]1CCC[C@H](OC(=O)c2ccc(NC(=O)[O-])cc2Cl)C1 ZINC000739802419 603199461 /nfs/dbraw/zinc/19/94/61/603199461.db2.gz LYGZUOFBSJNLKH-QWRGUYRKSA-N -1 0 327.764 3.544 20 0 EHADRM Cc1ccc(C)c(NC(=O)[C@H](C)[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000830267474 603208707 /nfs/dbraw/zinc/20/87/07/603208707.db2.gz DVMVQZKRAPARRL-PBHICJAKSA-N -1 0 326.396 3.887 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2nc3c(s2)CCC3)c(Cl)c1 ZINC000740701293 603208906 /nfs/dbraw/zinc/20/89/06/603208906.db2.gz QREKPKBPGMYLSG-UHFFFAOYSA-N -1 0 337.788 3.627 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)o1 ZINC000832702908 603215556 /nfs/dbraw/zinc/21/55/56/603215556.db2.gz ZWNINJZXNIXPEQ-UHFFFAOYSA-N -1 0 329.139 3.606 20 0 EHADRM O=C([O-])NC1(C(=O)Nc2ccc(CC(F)(F)F)cc2)CCCCC1 ZINC000740541600 603217414 /nfs/dbraw/zinc/21/74/14/603217414.db2.gz LJXUYIQKGKKDKT-UHFFFAOYSA-N -1 0 344.333 3.700 20 0 EHADRM CCc1ccc([C@H]2CCCCN2C(=O)CCC(C)(C)NC(=O)[O-])o1 ZINC000739544609 603217795 /nfs/dbraw/zinc/21/77/95/603217795.db2.gz UBGQGWCCMJQCGQ-CQSZACIVSA-N -1 0 336.432 3.722 20 0 EHADRM COc1cc(C)c(NC(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1OC ZINC000829094463 603225854 /nfs/dbraw/zinc/22/58/54/603225854.db2.gz PLPITNHMXDQTTG-UHFFFAOYSA-N -1 0 344.367 3.663 20 0 EHADRM CCOc1ccccc1CNC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739510370 603229071 /nfs/dbraw/zinc/22/90/71/603229071.db2.gz PCOOZZOGPHQOJA-UHFFFAOYSA-N -1 0 348.786 3.759 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@@H]2CCc3cc(F)ccc32)c(Cl)c1 ZINC000740696873 603231131 /nfs/dbraw/zinc/23/11/31/603231131.db2.gz CBWISYKZWOZZTJ-OAHLLOKOSA-N -1 0 348.761 3.986 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N(CC(F)(F)F)C2CC2)c(Cl)c1 ZINC000740695924 603231306 /nfs/dbraw/zinc/23/13/06/603231306.db2.gz UIKHOACGCZGNNQ-UHFFFAOYSA-N -1 0 336.697 3.597 20 0 EHADRM Cc1ccc2oc(NCCCN(Cc3cccnc3)C(=O)[O-])nc2c1 ZINC000740159699 603231737 /nfs/dbraw/zinc/23/17/37/603231737.db2.gz PEVIZFLGFFZWPQ-UHFFFAOYSA-N -1 0 340.383 3.513 20 0 EHADRM COc1ccc2c(c1)CCN2C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739940864 603234332 /nfs/dbraw/zinc/23/43/32/603234332.db2.gz RRURFLJOEOUJJX-UHFFFAOYSA-N -1 0 346.770 3.641 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=S)NCCc2cccs2)cc1 ZINC000825449531 603239447 /nfs/dbraw/zinc/23/94/47/603239447.db2.gz SUUIDBNRHVPTFJ-LLVKDONJSA-N -1 0 349.481 3.606 20 0 EHADRM CN(C[C@@H]1CCCN1C(=O)Nc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000828211072 603249836 /nfs/dbraw/zinc/24/98/36/603249836.db2.gz DRHBERXBZJRBKI-VIFPVBQESA-N -1 0 346.214 3.600 20 0 EHADRM C[C@H](CC(=O)Nc1ccccc1SCc1ccccc1)NC(=O)[O-] ZINC000824703871 603257434 /nfs/dbraw/zinc/25/74/34/603257434.db2.gz TUYVNTLLYYAAPU-CYBMUJFWSA-N -1 0 344.436 3.964 20 0 EHADRM CC[C@H](NC(=O)c1cccc(NC(=O)[O-])c1)c1cc(F)ccc1F ZINC000736920252 603258061 /nfs/dbraw/zinc/25/80/61/603258061.db2.gz PKBUHXDCKGYEAE-HNNXBMFYSA-N -1 0 334.322 3.936 20 0 EHADRM CC[C@H](NC(=O)Cc1ccc(NC(=O)[O-])cc1)c1cc(F)ccc1F ZINC000739261569 603258505 /nfs/dbraw/zinc/25/85/05/603258505.db2.gz DLCUGBFYGLYLTA-INIZCTEOSA-N -1 0 348.349 3.865 20 0 EHADRM CCOc1ccccc1NC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000827459667 603277482 /nfs/dbraw/zinc/27/74/82/603277482.db2.gz IQONPFVESPHBDD-SUMWQHHRSA-N -1 0 342.395 3.669 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)cc1 ZINC000738662077 603294472 /nfs/dbraw/zinc/29/44/72/603294472.db2.gz RFZUIFQXDKQZHO-AWEZNQCLSA-N -1 0 342.370 3.620 20 0 EHADRM Cc1cc(CNC(=O)[O-])ccc1N(C(=O)[C@@H]1CC=CCC1)C1CC1 ZINC000740076617 603297186 /nfs/dbraw/zinc/29/71/86/603297186.db2.gz JMWHNQATWWXDDR-OAHLLOKOSA-N -1 0 328.412 3.614 20 0 EHADRM O=C([O-])N1CCCN(C(=O)/C=C/c2ccsc2)c2ccccc21 ZINC000740516706 603299036 /nfs/dbraw/zinc/29/90/36/603299036.db2.gz PSTNRGIGLMCSJB-VOTSOKGWSA-N -1 0 328.393 3.683 20 0 EHADRM Cc1ccc(C(=O)N[C@H](C)c2c(F)cccc2F)cc1NC(=O)[O-] ZINC000830203897 603301703 /nfs/dbraw/zinc/30/17/03/603301703.db2.gz BMFJYNUQWXLRAE-SNVBAGLBSA-N -1 0 334.322 3.854 20 0 EHADRM CN(C(=O)c1ccc(CNC(=O)[O-])o1)C1CCC(C(C)(C)C)CC1 ZINC000827933349 603306986 /nfs/dbraw/zinc/30/69/86/603306986.db2.gz XFEAJTLKDSMMQK-UHFFFAOYSA-N -1 0 336.432 3.724 20 0 EHADRM C[C@@H](C1CC1)N(C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-])C1CC1 ZINC000824543086 603312534 /nfs/dbraw/zinc/31/25/34/603312534.db2.gz FMHZBZGFFUSATA-LBPRGKRZSA-N -1 0 343.427 3.912 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2cccc(CNC(=O)[O-])c2)s1 ZINC000740113266 603322481 /nfs/dbraw/zinc/32/24/81/603322481.db2.gz KZDHYXGZJNXHLS-LLVKDONJSA-N -1 0 333.413 3.707 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)N2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000740676549 603328631 /nfs/dbraw/zinc/32/86/31/603328631.db2.gz QVHPNXJUVLUJFG-IBGZPJMESA-N -1 0 343.427 3.808 20 0 EHADRM Cc1cccc(F)c1CNC(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000830505367 603328746 /nfs/dbraw/zinc/32/87/46/603328746.db2.gz HDGURCBGYPAERF-UHFFFAOYSA-N -1 0 345.374 3.566 20 0 EHADRM CCN(Cc1ccccc1NC(=O)Cc1cc(F)ccc1F)C(=O)[O-] ZINC000827182909 603352463 /nfs/dbraw/zinc/35/24/63/603352463.db2.gz VWGFMWLYPHBOOZ-UHFFFAOYSA-N -1 0 348.349 3.646 20 0 EHADRM C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1NC(=O)[O-])C(F)(F)F ZINC000823714692 603354095 /nfs/dbraw/zinc/35/40/95/603354095.db2.gz QPQZHWCJJLDAPW-YFKPBYRVSA-N -1 0 344.211 3.932 20 0 EHADRM Cc1ccc(C(=O)N2CCCc3ccc(F)cc32)cc1NC(=O)[O-] ZINC000830191669 603356811 /nfs/dbraw/zinc/35/68/11/603356811.db2.gz CVNKTWXUYIZNNP-UHFFFAOYSA-N -1 0 328.343 3.817 20 0 EHADRM C[C@H](NC(=O)Nc1cccc(CN(C)C(=O)[O-])c1)c1cccs1 ZINC000738991572 603361692 /nfs/dbraw/zinc/36/16/92/603361692.db2.gz UBHWWMKJTINFIQ-NSHDSACASA-N -1 0 333.413 3.741 20 0 EHADRM CCc1ccc(CNC(=O)Nc2cccc(CN(C)C(=O)[O-])c2)s1 ZINC000739542952 603362968 /nfs/dbraw/zinc/36/29/68/603362968.db2.gz UDMHPCZZUMBZLF-UHFFFAOYSA-N -1 0 347.440 3.742 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(Oc2cccc(F)c2)cc1)NC(=O)[O-] ZINC000824693231 603377964 /nfs/dbraw/zinc/37/79/64/603377964.db2.gz AKFUWJQEEDNANP-LLVKDONJSA-N -1 0 332.331 3.603 20 0 EHADRM O=C([O-])N[C@@H](CNC(=S)Nc1ccc(Cl)cc1)c1ccccc1 ZINC000740533437 603379748 /nfs/dbraw/zinc/37/97/48/603379748.db2.gz IDKRKTIMHXWMBX-AWEZNQCLSA-N -1 0 349.843 3.635 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N(Cc2ccc(F)cc2)CC2CC2)cc1 ZINC000738660631 603398620 /nfs/dbraw/zinc/39/86/20/603398620.db2.gz GINHYMDPHJCPSZ-UHFFFAOYSA-N -1 0 342.370 3.968 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@H]1c1cccc2ccccc21)NC(=O)[O-] ZINC000824581158 603398691 /nfs/dbraw/zinc/39/86/91/603398691.db2.gz LHEAQOSQGXFMFI-DYVFJYSZSA-N -1 0 326.396 3.550 20 0 EHADRM Cc1ccc(C(=O)NC[C@H](C)c2ccc(F)cc2)cc1NC(=O)[O-] ZINC000830211315 603407424 /nfs/dbraw/zinc/40/74/24/603407424.db2.gz MTBOUPFWJNSTPW-LBPRGKRZSA-N -1 0 330.359 3.758 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)c1nc(C2(NC(=O)[O-])CCC2)no1 ZINC000824817881 603418709 /nfs/dbraw/zinc/41/87/09/603418709.db2.gz RXHMKLURLVYMAO-NSHDSACASA-N -1 0 333.363 3.592 20 0 EHADRM C[C@H](C(=O)NC(C)(C)c1ccccc1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823677744 603419220 /nfs/dbraw/zinc/41/92/20/603419220.db2.gz NFZVMZAYMACWEQ-WMLDXEAASA-N -1 0 340.423 3.683 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc(-c2cccc(-c3cscn3)c2)n1 ZINC000824902187 603420284 /nfs/dbraw/zinc/42/02/84/603420284.db2.gz KUIUNRMCWILSLM-SNVBAGLBSA-N -1 0 344.396 3.573 20 0 EHADRM CCCCSCCC(=O)N1CCCN(C(=O)[O-])c2ccccc21 ZINC000739343397 603430659 /nfs/dbraw/zinc/43/06/59/603430659.db2.gz XJIUWYGKSQTVOC-UHFFFAOYSA-N -1 0 336.457 3.831 20 0 EHADRM C[C@H](CC(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-])c1cccnc1 ZINC000738892934 603431378 /nfs/dbraw/zinc/43/13/78/603431378.db2.gz WOODVCHJYZEQPM-CYBMUJFWSA-N -1 0 339.395 3.645 20 0 EHADRM CC[C@@H](OC(=O)c1ccc(CNC(=O)[O-])o1)c1ccc(F)cc1F ZINC000826631661 603453611 /nfs/dbraw/zinc/45/36/11/603453611.db2.gz LWDJWOHEMUHOMH-CYBMUJFWSA-N -1 0 339.294 3.634 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)cc1Cl ZINC000824418368 603465337 /nfs/dbraw/zinc/46/53/37/603465337.db2.gz LXIIDMQNRDLSJR-GHMZBOCLSA-N -1 0 340.807 3.502 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Oc2cccc(NC(=O)[O-])c2)s1 ZINC000830176070 603482785 /nfs/dbraw/zinc/48/27/85/603482785.db2.gz LFIRQWUWKCUDLM-UHFFFAOYSA-N -1 0 333.365 3.715 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)C1(NC(=O)[O-])CCCC1 ZINC000829868146 603518402 /nfs/dbraw/zinc/51/84/02/603518402.db2.gz YJACYFIUMQMWTJ-UHFFFAOYSA-N -1 0 348.443 3.829 20 0 EHADRM CN(CC(C)(C)CNC(=O)[O-])C(=O)Nc1cccc2ccccc21 ZINC000828147022 603520044 /nfs/dbraw/zinc/52/00/44/603520044.db2.gz UJXMZDVQUAWZCG-UHFFFAOYSA-N -1 0 329.400 3.597 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2cccc(Cl)n2)c(Cl)c1 ZINC000832838378 603521235 /nfs/dbraw/zinc/52/12/35/603521235.db2.gz IIULWSTVTZOIMB-UHFFFAOYSA-N -1 0 326.139 3.731 20 0 EHADRM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)CCCCCCNC(=O)[O-] ZINC000825778335 603558810 /nfs/dbraw/zinc/55/88/10/603558810.db2.gz LRVICEXXPBAYMM-NVXWUHKLSA-N -1 0 332.444 3.609 20 0 EHADRM O=C(C[C@@H]1CCCN1C(=O)[O-])Nc1cccc(NC2CCCC2)c1 ZINC000831339945 603585537 /nfs/dbraw/zinc/58/55/37/603585537.db2.gz NMWUOUNMSSOSMU-INIZCTEOSA-N -1 0 331.416 3.512 20 0 EHADRM CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1ccccc1CN(CC)C(=O)[O-] ZINC000826661584 603601542 /nfs/dbraw/zinc/60/15/42/603601542.db2.gz SEJNUMOJRCTTKX-UKRRQHHQSA-N -1 0 333.432 3.839 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)c3cccc4cnccc43)ccc21 ZINC000831773520 603616783 /nfs/dbraw/zinc/61/67/83/603616783.db2.gz WOZFXDXPFUQLJA-UHFFFAOYSA-N -1 0 347.374 3.918 20 0 EHADRM CC(C)CC1(C(=O)N2CCC([C@@H]3CCCN3C(=O)[O-])CC2)CCC1 ZINC000824224681 603645967 /nfs/dbraw/zinc/64/59/67/603645967.db2.gz MKIBXZBSSYKXHL-INIZCTEOSA-N -1 0 336.476 3.584 20 0 EHADRM O=C([O-])N[C@H]1CC[C@H](C(=O)Nc2ccccc2CCC(F)(F)F)C1 ZINC000832298038 603729290 /nfs/dbraw/zinc/72/92/90/603729290.db2.gz RAQBHUHHDKYVCI-RYUDHWBXSA-N -1 0 344.333 3.556 20 0 EHADRM CC(C)[C@H](NC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000824129017 603748907 /nfs/dbraw/zinc/74/89/07/603748907.db2.gz KNKJGKZPFGCJLQ-QEJZJMRPSA-N -1 0 338.835 3.590 20 0 EHADRM CCN(CC1CCN(C(=O)c2cc(C)n(C(C)C)c2C)CC1)C(=O)[O-] ZINC000827079747 603751624 /nfs/dbraw/zinc/75/16/24/603751624.db2.gz BNFKLJAXXHOEFR-UHFFFAOYSA-N -1 0 349.475 3.538 20 0 EHADRM CC(C)[C@H](NC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)c1ccccc1Cl ZINC000824129528 603768617 /nfs/dbraw/zinc/76/86/17/603768617.db2.gz QHYVPIPKRJVHTO-JMSVASOKSA-N -1 0 338.835 3.590 20 0 EHADRM COc1ccccc1C1(c2nc([C@@H](CC(C)C)NC(=O)[O-])no2)CC1 ZINC000829619574 603770042 /nfs/dbraw/zinc/77/00/42/603770042.db2.gz TVWXWYMJSRLHRB-CYBMUJFWSA-N -1 0 345.399 3.513 20 0 EHADRM Cc1ccc(C(=O)N2CCS[C@H]3CCCC[C@@H]32)cc1NC(=O)[O-] ZINC000830198360 603778198 /nfs/dbraw/zinc/77/81/98/603778198.db2.gz KWUYMZACICBLDV-GJZGRUSLSA-N -1 0 334.441 3.585 20 0 EHADRM CCC[C@](C)(NC(=O)[O-])C(=O)OCc1ncc(-c2ccccc2C)o1 ZINC000826730501 603804589 /nfs/dbraw/zinc/80/45/89/603804589.db2.gz YXZBOQKYNUYDHF-SFHVURJKSA-N -1 0 346.383 3.520 20 0 EHADRM CCc1ccc(CC)c(NC(=O)N2CCC(CN(C)C(=O)[O-])CC2)c1 ZINC000827584415 603814338 /nfs/dbraw/zinc/81/43/38/603814338.db2.gz RLQNFOMCACMIBF-UHFFFAOYSA-N -1 0 347.459 3.665 20 0 EHADRM C[C@@H](OC(=O)[C@H](NC(=O)[O-])c1ccccc1)c1cc(F)ccc1F ZINC000825602065 603840265 /nfs/dbraw/zinc/84/02/65/603840265.db2.gz GVKMRKOYERKNRN-MEBBXXQBSA-N -1 0 335.306 3.578 20 0 EHADRM CC(C)Nc1ccc(F)cc1NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000824387678 603875507 /nfs/dbraw/zinc/87/55/07/603875507.db2.gz GZEFMYMCSNFZKW-UHFFFAOYSA-N -1 0 331.347 3.988 20 0 EHADRM C[C@@H](CN(C)C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccccc1 ZINC000824819171 603875418 /nfs/dbraw/zinc/87/54/18/603875418.db2.gz YHGGRTUXFTVSBI-UNPWZGGWSA-N -1 0 344.455 3.560 20 0 EHADRM CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1cc(C(F)(F)F)ccc1C ZINC000826719694 603882181 /nfs/dbraw/zinc/88/21/81/603882181.db2.gz AEMXBSOVWBMVPH-CQSZACIVSA-N -1 0 332.322 3.779 20 0 EHADRM Cc1nc(CCCC(=O)Nc2cc(NC(=O)[O-])ccc2F)cs1 ZINC000830741720 603913940 /nfs/dbraw/zinc/91/39/40/603913940.db2.gz OGZAJZKTPIQSOZ-UHFFFAOYSA-N -1 0 337.376 3.642 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)Nc2cccc(CCC(F)(F)F)c2)C1 ZINC000832284243 603929701 /nfs/dbraw/zinc/92/97/01/603929701.db2.gz ARZUUUJUKQOLDV-DGCLKSJQSA-N -1 0 344.333 3.556 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)c1cccc2cnccc21 ZINC000831797134 603949560 /nfs/dbraw/zinc/94/95/60/603949560.db2.gz CLORPXSQCSXIKD-UHFFFAOYSA-N -1 0 333.347 3.528 20 0 EHADRM CC[C@H]1CCCN(C(=O)Nc2cccc3c2CCN3C(=O)[O-])CC1 ZINC000826676211 603981778 /nfs/dbraw/zinc/98/17/78/603981778.db2.gz XKFNPKABALVAHL-ZDUSSCGKSA-N -1 0 331.416 3.771 20 0 EHADRM CCN(Cc1ccccc1)C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000827176608 603991167 /nfs/dbraw/zinc/99/11/67/603991167.db2.gz LTHVCHJTTUHWGP-UHFFFAOYSA-N -1 0 339.395 3.781 20 0 EHADRM CC(C)C[C@@H]1CCCN1C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000824225183 603991531 /nfs/dbraw/zinc/99/15/31/603991531.db2.gz QKFUMFZYHYENJT-ZDUSSCGKSA-N -1 0 331.416 3.770 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)NC1(c2ccccc2)CC1 ZINC000831792860 603995700 /nfs/dbraw/zinc/99/57/00/603995700.db2.gz CPAQNQMMKQRKOK-UHFFFAOYSA-N -1 0 337.379 3.538 20 0 EHADRM C[C@@H]1CCN(C(=O)CCCCCCNC(=O)[O-])[C@H](c2ccco2)C1 ZINC000825937048 604024784 /nfs/dbraw/zinc/02/47/84/604024784.db2.gz FXHFRWCRRKSCIK-CABCVRRESA-N -1 0 336.432 3.797 20 0 EHADRM CC(C)c1cccc(NC(=O)N2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)c1 ZINC000824471083 604067066 /nfs/dbraw/zinc/06/70/66/604067066.db2.gz XHDOBQTXHKPQFL-UKRRQHHQSA-N -1 0 333.432 3.710 20 0 EHADRM Cc1ccc(-c2nc(CN3CCC[C@H]([C@H](C)NC(=O)[O-])C3)cs2)o1 ZINC000830154237 604164674 /nfs/dbraw/zinc/16/46/74/604164674.db2.gz GOOBXWKSSASHLM-STQMWFEESA-N -1 0 349.456 3.580 20 0 EHADRM O=C([O-])N1CCC(Nc2cccc(COCc3ccco3)c2)CC1 ZINC000831968766 604181548 /nfs/dbraw/zinc/18/15/48/604181548.db2.gz FMAORDVLSVXNIF-UHFFFAOYSA-N -1 0 330.384 3.551 20 0 EHADRM C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000825247594 604185187 /nfs/dbraw/zinc/18/51/87/604185187.db2.gz ZCOIPPFGHFSANN-ONGXEEELSA-N -1 0 345.226 3.502 20 0 EHADRM Cc1ccc(C(=O)N(CC(F)F)c2ccccc2)cc1NC(=O)[O-] ZINC000830182076 604201655 /nfs/dbraw/zinc/20/16/55/604201655.db2.gz PISALSFDZPSDIL-UHFFFAOYSA-N -1 0 334.322 3.997 20 0 EHADRM CN(C(=O)Nc1cccc2ccccc21)C1CCC(NC(=O)[O-])CC1 ZINC000827810111 604239257 /nfs/dbraw/zinc/23/92/57/604239257.db2.gz NWYVAIXKYGFZPC-UHFFFAOYSA-N -1 0 341.411 3.882 20 0 EHADRM COc1ccc(F)c(NC(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000829414226 604256900 /nfs/dbraw/zinc/25/69/00/604256900.db2.gz OBZJXYMGLBATLA-OAHLLOKOSA-N -1 0 346.358 3.562 20 0 EHADRM Cc1ncc(-c2ccc(NC(=O)c3c(C)[nH]c(C(=O)[O-])c3C)cc2)o1 ZINC000833008383 604274552 /nfs/dbraw/zinc/27/45/52/604274552.db2.gz XGTHTDRUYGQTPX-UHFFFAOYSA-N -1 0 339.351 3.545 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2ccco2)Cc2ccco2)cc1F ZINC000833310894 604278252 /nfs/dbraw/zinc/27/82/52/604278252.db2.gz YMLYHDVVUWPHOV-UHFFFAOYSA-N -1 0 343.310 3.553 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)c2ccc(Cl)cc2C)c1OC ZINC000799243929 604293707 /nfs/dbraw/zinc/29/37/07/604293707.db2.gz VUYPVNDPPOIVDL-UHFFFAOYSA-N -1 0 349.770 3.616 20 0 EHADRM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000826694090 604295960 /nfs/dbraw/zinc/29/59/60/604295960.db2.gz PWHJWMJTRZLFMH-QGZVFWFLSA-N -1 0 347.361 3.660 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1CC2(CCC2)c2c1cccc2F ZINC000738164828 604301748 /nfs/dbraw/zinc/30/17/48/604301748.db2.gz YQIUWUBLZINTDN-UHFFFAOYSA-N -1 0 342.370 3.551 20 0 EHADRM CC(C)c1cc(NC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])no1 ZINC000827112689 604348245 /nfs/dbraw/zinc/34/82/45/604348245.db2.gz KIUVQBAVVQJDFQ-OAHLLOKOSA-N -1 0 345.399 3.772 20 0 EHADRM CCOc1cccc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])c1 ZINC000830099718 604386413 /nfs/dbraw/zinc/38/64/13/604386413.db2.gz LXHYPDFTLVCLPV-QGZVFWFLSA-N -1 0 341.407 3.667 20 0 EHADRM C[C@H](CC(=O)N1Cc2ccccc2[C@@H]1C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824606463 604388346 /nfs/dbraw/zinc/38/83/46/604388346.db2.gz PXYVTEBRMAOXFP-QLFBSQMISA-N -1 0 330.428 3.506 20 0 EHADRM CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000826680617 604389642 /nfs/dbraw/zinc/38/96/42/604389642.db2.gz IKSZOBCWNVIUFI-SECBINFHSA-N -1 0 335.297 3.573 20 0 EHADRM Cc1cccc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c1C ZINC000832963886 604390466 /nfs/dbraw/zinc/39/04/66/604390466.db2.gz VPJYUTVOTYQCPM-KRWDZBQOSA-N -1 0 325.408 3.885 20 0 EHADRM O=C([O-])c1ccc(-c2ccc(C(=O)OC[C@@H]3CCCOC3)cc2)cc1 ZINC000833308888 604409587 /nfs/dbraw/zinc/40/95/87/604409587.db2.gz WAOFNZVTESRYCQ-CQSZACIVSA-N -1 0 340.375 3.635 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)N2C3CCCC2CCC3)cc1 ZINC000825383372 604438029 /nfs/dbraw/zinc/43/80/29/604438029.db2.gz QAKKGXQRVNRBNO-IGEOTXOUSA-N -1 0 345.443 3.632 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000825378169 604446619 /nfs/dbraw/zinc/44/66/19/604446619.db2.gz SCAMZVLMGQSGBZ-GFCCVEGCSA-N -1 0 346.814 3.528 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(CNC(=O)c2cc3ccccc3o2)cc1 ZINC000825397165 604446886 /nfs/dbraw/zinc/44/68/86/604446886.db2.gz GZYJWNAWDXBKMQ-LBPRGKRZSA-N -1 0 338.363 3.691 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)[C@@H](C)c2ccccc2F)cc1 ZINC000825372377 604453517 /nfs/dbraw/zinc/45/35/17/604453517.db2.gz NFOWEIMMJGFMBC-QWHCGFSZSA-N -1 0 344.386 3.574 20 0 EHADRM CC(C)(CCC(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccccc1 ZINC000833457073 604465895 /nfs/dbraw/zinc/46/58/95/604465895.db2.gz KLQDLTBVIBPYSS-UHFFFAOYSA-N -1 0 346.452 3.857 20 0 EHADRM COc1cccc2c1CCCCN2C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000833735920 604468445 /nfs/dbraw/zinc/46/84/45/604468445.db2.gz NJLQZXXESVDEGO-UHFFFAOYSA-N -1 0 340.379 3.768 20 0 EHADRM CCOc1cccc([C@@H](C)NC(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC000830099534 604485888 /nfs/dbraw/zinc/48/58/88/604485888.db2.gz IGUNRGQPLLWATG-SNVBAGLBSA-N -1 0 334.397 3.728 20 0 EHADRM COc1ccc([C@@H](C)N(C)C(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000832220965 604488408 /nfs/dbraw/zinc/48/84/08/604488408.db2.gz NUUPYNCHROPDSE-SNVBAGLBSA-N -1 0 334.397 3.680 20 0 EHADRM O=C([O-])c1csc(NC(=O)NC2(c3ccc(Cl)cc3)CC2)c1 ZINC000833150312 604493885 /nfs/dbraw/zinc/49/38/85/604493885.db2.gz GGWAIKWRBAGJKL-UHFFFAOYSA-N -1 0 336.800 3.911 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@@H]1CC(=O)[O-])c1cc(Cl)ccc1Cl ZINC000827654091 604504682 /nfs/dbraw/zinc/50/46/82/604504682.db2.gz YGIYACQHDHKWIX-MWLCHTKSSA-N -1 0 345.226 3.703 20 0 EHADRM COCCN(C(=O)Nc1cc(C(=O)[O-])cs1)[C@@H](C)c1ccccc1 ZINC000831709659 604507665 /nfs/dbraw/zinc/50/76/65/604507665.db2.gz DCPHSGLYRCHDJL-LBPRGKRZSA-N -1 0 348.424 3.688 20 0 EHADRM CN(Cc1cc2ccccc2o1)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000830811290 604513904 /nfs/dbraw/zinc/51/39/04/604513904.db2.gz YUYSZRZQYKXWAJ-UHFFFAOYSA-N -1 0 330.365 3.856 20 0 EHADRM C[C@H](NC(=O)Nc1cc(C(=O)[O-])cs1)c1c(F)cccc1F ZINC000827664091 604522717 /nfs/dbraw/zinc/52/27/17/604522717.db2.gz DLKVKXFTWSOCMO-ZETCQYMHSA-N -1 0 326.324 3.607 20 0 EHADRM CCOc1ccc(CC(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC000830070757 604541229 /nfs/dbraw/zinc/54/12/29/604541229.db2.gz GZUVNGDSBLIMOK-LBPRGKRZSA-N -1 0 332.352 3.532 20 0 EHADRM CC(C)[C@@H](C(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000833465191 604541888 /nfs/dbraw/zinc/54/18/88/604541888.db2.gz HYPPDBRHYQYRRA-GOSISDBHSA-N -1 0 329.371 3.831 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2ccc(Br)o2)oc1C(=O)[O-] ZINC000832876156 604545182 /nfs/dbraw/zinc/54/51/82/604545182.db2.gz RRAKPSIHSJZDIA-ZETCQYMHSA-N -1 0 343.129 3.560 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2ccc(C(F)(F)F)nc2)oc1C(=O)[O-] ZINC000832877611 604557286 /nfs/dbraw/zinc/55/72/86/604557286.db2.gz ZFDMTYIFNUJYSE-QMMMGPOBSA-N -1 0 343.257 3.618 20 0 EHADRM CC(C)[C@H](C(=O)NC[C@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1 ZINC000833466408 604561403 /nfs/dbraw/zinc/56/14/03/604561403.db2.gz YKAXFYBABMBZFF-ROUUACIJSA-N -1 0 343.398 3.550 20 0 EHADRM CC(C)[C@H](C(=O)NC[C@@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1 ZINC000833466406 604561418 /nfs/dbraw/zinc/56/14/18/604561418.db2.gz YKAXFYBABMBZFF-MSOLQXFVSA-N -1 0 343.398 3.550 20 0 EHADRM CCCc1nc(C)c(C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)s1 ZINC000829570095 604563651 /nfs/dbraw/zinc/56/36/51/604563651.db2.gz AKFYQMCEQHKBCC-JTQLQIEISA-N -1 0 337.397 3.922 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@H]2CC(=O)[O-])sc1-c1ccc(F)cc1 ZINC000263071923 604564746 /nfs/dbraw/zinc/56/47/46/604564746.db2.gz YJAWNJDTZZKBKM-AWEZNQCLSA-N -1 0 347.411 3.942 20 0 EHADRM Cc1cc([C@H](C)OC(=O)Cn2ccc3ccccc32)oc1C(=O)[O-] ZINC000832870998 604570618 /nfs/dbraw/zinc/57/06/18/604570618.db2.gz FDBLTGVMFXZLAW-LBPRGKRZSA-N -1 0 327.336 3.545 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2csc(CC(C)C)n2)oc1C(=O)[O-] ZINC000832876897 604576152 /nfs/dbraw/zinc/57/61/52/604576152.db2.gz YUFJWDCCPRTDDC-JTQLQIEISA-N -1 0 337.397 3.859 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000263070531 604584570 /nfs/dbraw/zinc/58/45/70/604584570.db2.gz YCZTUTCVPACXAZ-SRVKXCTJSA-N -1 0 342.222 3.563 20 0 EHADRM C[C@@H]1CC[C@H](C)CN1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000833601953 604587760 /nfs/dbraw/zinc/58/77/60/604587760.db2.gz FTTPKWGUYMMNDB-QWHCGFSZSA-N -1 0 336.457 3.657 20 0 EHADRM Cc1cc([C@H](C)OC(=O)C2(c3cccc(F)c3)CC2)oc1C(=O)[O-] ZINC000832875771 604587950 /nfs/dbraw/zinc/58/79/50/604587950.db2.gz OJZZLKVRITWTBN-NSHDSACASA-N -1 0 332.327 3.761 20 0 EHADRM CC(C)CSCCNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000397225862 604589227 /nfs/dbraw/zinc/58/92/27/604589227.db2.gz NKQATAFBFCOMCT-UHFFFAOYSA-N -1 0 330.837 3.549 20 0 EHADRM O=C([O-])c1ccc2c(=O)[nH]c(C=Cc3ccc(F)cc3Cl)nc2c1 ZINC000833324594 604628957 /nfs/dbraw/zinc/62/89/57/604628957.db2.gz BISPZHOHXILVLS-UTCJRWHESA-N -1 0 344.729 3.997 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000833213513 604631414 /nfs/dbraw/zinc/63/14/14/604631414.db2.gz IKSRCEZJEYKCSE-HNNXBMFYSA-N -1 0 346.427 3.869 20 0 EHADRM CN(C(=O)[O-])c1ccc(NCc2cnn(-c3ccc(F)cc3)c2)cc1 ZINC000830518373 604645831 /nfs/dbraw/zinc/64/58/31/604645831.db2.gz ATASQXLSMXOOHC-UHFFFAOYSA-N -1 0 340.358 3.738 20 0 EHADRM Cc1cc(COc2cc(-c3ccccc3)sc2C(=O)[O-])nn1C ZINC000832885228 604650342 /nfs/dbraw/zinc/65/03/42/604650342.db2.gz MQYOWFDWHCBFSE-UHFFFAOYSA-N -1 0 328.393 3.734 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@@H]1c1ccccc1)C1CCN(C(=O)[O-])CC1 ZINC000824579652 604667333 /nfs/dbraw/zinc/66/73/33/604667333.db2.gz DQONTSKRDZUJLV-CRAIPNDOSA-N -1 0 344.455 3.766 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)Cc2cc(F)c(F)cc2F)oc1C(=O)[O-] ZINC000832872354 604693911 /nfs/dbraw/zinc/69/39/11/604693911.db2.gz OFTKLYQRZPSJLY-MRVPVSSYSA-N -1 0 342.269 3.550 20 0 EHADRM CCc1cc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])oc1CC ZINC000192870652 604703901 /nfs/dbraw/zinc/70/39/01/604703901.db2.gz LHEILDFFSAOJLA-YVEFUNNKSA-N -1 0 329.396 3.596 20 0 EHADRM CC1CCC(N(C(=O)CCc2ccccc2C(=O)[O-])C2CC2)CC1 ZINC000262190648 604722144 /nfs/dbraw/zinc/72/21/44/604722144.db2.gz RBBQBTGVCZEBJT-UHFFFAOYSA-N -1 0 329.440 3.887 20 0 EHADRM C[C@@H](OC(=O)c1cc(C2CCCCC2)[nH]n1)c1ccc(C(=O)[O-])o1 ZINC000833532858 604723431 /nfs/dbraw/zinc/72/34/31/604723431.db2.gz UTSWEXYBPHMWRN-SNVBAGLBSA-N -1 0 332.356 3.667 20 0 EHADRM C/C(=C/c1cccc(Cl)c1)C(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC000833386759 604725780 /nfs/dbraw/zinc/72/57/80/604725780.db2.gz RTQAUQOQUZPSPI-QQBNSCQMSA-N -1 0 335.812 3.747 20 0 EHADRM CC(C)Oc1ccc(NC(=O)CCc2ccccc2C(=O)[O-])c(F)c1 ZINC000262261246 604731819 /nfs/dbraw/zinc/73/18/19/604731819.db2.gz WTGLSHYOQAQPGD-UHFFFAOYSA-N -1 0 345.370 3.882 20 0 EHADRM CC[C@@H](C)[C@@H](C(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccccc1 ZINC000828700229 604734221 /nfs/dbraw/zinc/73/42/21/604734221.db2.gz ISNOABNWFXPSLE-MLGOLLRUSA-N -1 0 346.452 3.929 20 0 EHADRM CC(C)[C@H](CC(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccccc1 ZINC000826682067 604740198 /nfs/dbraw/zinc/74/01/98/604740198.db2.gz WLVAIZYIWASGMU-HNNXBMFYSA-N -1 0 346.452 3.929 20 0 EHADRM CC1(C)CC[C@@H](CNC(=O)C2CCC(C(=O)[O-])CC2)c2ccccc21 ZINC000192986240 604742365 /nfs/dbraw/zinc/74/23/65/604742365.db2.gz NUXJSXRDTHBXRE-GPANFISMSA-N -1 0 343.467 3.849 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000262777761 604749860 /nfs/dbraw/zinc/74/98/60/604749860.db2.gz LYQAHVJCLZAVLZ-CRAIPNDOSA-N -1 0 337.419 3.722 20 0 EHADRM CC(C)Nc1cc(F)ccc1NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000833504334 604759050 /nfs/dbraw/zinc/75/90/50/604759050.db2.gz FYSXZTCGBBIZQE-UHFFFAOYSA-N -1 0 330.359 3.525 20 0 EHADRM O=C([O-])C1(CNC(=O)c2ccccc2CCC(F)(F)F)CCCC1 ZINC000649360610 604766671 /nfs/dbraw/zinc/76/66/71/604766671.db2.gz UMXLYLSKTUSGTD-UHFFFAOYSA-N -1 0 343.345 3.556 20 0 EHADRM C[C@H](Nc1ccc(CNC(=O)[O-])cc1)c1nc(-c2ccccc2)no1 ZINC000827768965 604769652 /nfs/dbraw/zinc/76/96/52/604769652.db2.gz YEORHUPLEQEGHS-LBPRGKRZSA-N -1 0 338.367 3.677 20 0 EHADRM CN(C(=O)[O-])c1ccc(NCc2cnc(-c3ccncc3)s2)cc1 ZINC000833685667 604775831 /nfs/dbraw/zinc/77/58/31/604775831.db2.gz PESKSULJSMHQTN-UHFFFAOYSA-N -1 0 340.408 3.931 20 0 EHADRM CCc1nc(C)c([C@@H](C)OC(=O)CCc2ccccc2C(=O)[O-])s1 ZINC000833672586 604785215 /nfs/dbraw/zinc/78/52/15/604785215.db2.gz CKQYEHRERYFOAN-GFCCVEGCSA-N -1 0 347.436 3.949 20 0 EHADRM CC(C)(C)OC(=O)N1CCC[C@H](Nc2cccc(NC(=O)[O-])c2)C1 ZINC000833436315 604788890 /nfs/dbraw/zinc/78/88/90/604788890.db2.gz GPPBTUUWUUXKFD-AWEZNQCLSA-N -1 0 335.404 3.588 20 0 EHADRM COc1ccc(NC(=O)c2ccc3nc(C)ccc3c2)c(C(=O)[O-])c1 ZINC000832407921 604823282 /nfs/dbraw/zinc/82/32/82/604823282.db2.gz MWPNONKCJWVGDA-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM Cc1ccc(CC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)cc1C ZINC000540713658 604847425 /nfs/dbraw/zinc/84/74/25/604847425.db2.gz DEZIECQZDIZLRH-UHFFFAOYSA-N -1 0 347.798 3.601 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)/C=C\c2cccs2)cc1Cl ZINC000588388178 604849956 /nfs/dbraw/zinc/84/99/56/604849956.db2.gz VGLMPDBKLZWGFL-XQRVVYSFSA-N -1 0 337.784 3.517 20 0 EHADRM Cc1ccc(F)c(NC(=S)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000833749819 604857715 /nfs/dbraw/zinc/85/77/15/604857715.db2.gz WQPYSXSAUWDBDL-LBPRGKRZSA-N -1 0 338.448 3.654 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000669435790 604860092 /nfs/dbraw/zinc/86/00/92/604860092.db2.gz RIXLVJQWDAKETD-KSSFIOAISA-N -1 0 337.419 3.958 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@H]2CCCc3sccc32)c1 ZINC000391214463 604861451 /nfs/dbraw/zinc/86/14/51/604861451.db2.gz RRRPAUDFHSQJLS-LBPRGKRZSA-N -1 0 331.393 3.514 20 0 EHADRM CN(C(=O)c1ccc(-c2ccccc2)n1C)C1(C(=O)[O-])CCCCC1 ZINC000833686330 604871105 /nfs/dbraw/zinc/87/11/05/604871105.db2.gz RHQHOOHBVNLQQV-UHFFFAOYSA-N -1 0 340.423 3.552 20 0 EHADRM CC(C)(C(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1)c1cccc(F)c1 ZINC000833411432 604877174 /nfs/dbraw/zinc/87/71/74/604877174.db2.gz GMDFVIPKLQSYGH-UHFFFAOYSA-N -1 0 348.399 3.774 20 0 EHADRM Cc1cc(F)c(C(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)cc1F ZINC000833744539 604878740 /nfs/dbraw/zinc/87/87/40/604878740.db2.gz HOKAAFNFOADRGZ-UHFFFAOYSA-N -1 0 338.335 3.558 20 0 EHADRM C[C@H](C(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F)c1ccco1 ZINC000833406039 604881324 /nfs/dbraw/zinc/88/13/24/604881324.db2.gz KNWBSUZJCSDTGU-TVQRCGJNSA-N -1 0 342.269 3.928 20 0 EHADRM C[C@H](C(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F)C(F)(F)F ZINC000833407612 604881499 /nfs/dbraw/zinc/88/14/99/604881499.db2.gz TZMWCJJWBBETID-HZGVNTEJSA-N -1 0 344.207 3.730 20 0 EHADRM C/C(=C\C(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F)C1CC1 ZINC000833381403 604881543 /nfs/dbraw/zinc/88/15/43/604881543.db2.gz AYAPSKXIBPPUMS-MYSGNRETSA-N -1 0 328.286 3.888 20 0 EHADRM C[C@@]1(NC(=O)c2cccc(Cl)c2Cl)CCCC[C@H]1C(=O)[O-] ZINC000262821092 604889925 /nfs/dbraw/zinc/88/99/25/604889925.db2.gz PNJYSMHYVYFRRG-ZUZCIYMTSA-N -1 0 330.211 3.757 20 0 EHADRM C[C@]1(NC(=O)Cc2cccc3ccccc32)CCCC[C@@H]1C(=O)[O-] ZINC000262732328 604891670 /nfs/dbraw/zinc/89/16/70/604891670.db2.gz ICFCLYWEEFXWEI-XLIONFOSSA-N -1 0 325.408 3.532 20 0 EHADRM C[C@@H](CC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)c1ccc(F)cc1 ZINC000679102063 604896809 /nfs/dbraw/zinc/89/68/09/604896809.db2.gz SUVJPITVBIASBE-ZFWWWQNUSA-N -1 0 335.419 3.669 20 0 EHADRM O=C([O-])c1n[nH]c2ccc(NC(=O)c3cccc(-c4ccoc4)c3)cc21 ZINC000833769732 604907418 /nfs/dbraw/zinc/90/74/18/604907418.db2.gz IRKVYODJTMMEDI-UHFFFAOYSA-N -1 0 347.330 3.773 20 0 EHADRM C[C@@H]1CC(=O)CC[C@H]1C(=O)OCc1c2ccccc2sc1C(=O)[O-] ZINC000833593167 604911090 /nfs/dbraw/zinc/91/10/90/604911090.db2.gz PHKKPLIUASBYRL-ZYHUDNBSSA-N -1 0 346.404 3.648 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)NC2CCCCCC2)cc1Cl ZINC000833257731 604912532 /nfs/dbraw/zinc/91/25/32/604912532.db2.gz RPOXYEKFBLMPLW-UHFFFAOYSA-N -1 0 340.807 3.648 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)C1CCCC1 ZINC000827682524 604920009 /nfs/dbraw/zinc/92/00/09/604920009.db2.gz ZUZCIBWXVQHTRP-SNVBAGLBSA-N -1 0 340.807 3.504 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)C(C)(C)C ZINC000827485930 604925292 /nfs/dbraw/zinc/92/52/92/604925292.db2.gz CUBKMMIVGMPUAR-SNVBAGLBSA-N -1 0 342.823 3.607 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2nc3c(s2)CCCCC3)cc1F ZINC000833161818 604925471 /nfs/dbraw/zinc/92/54/71/604925471.db2.gz HJXIOKNTCBCKFZ-UHFFFAOYSA-N -1 0 334.372 3.502 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cc(Cl)cc3cccnc32)cc1F ZINC000833154536 604928109 /nfs/dbraw/zinc/92/81/09/604928109.db2.gz VVIPYKSFHPGWDS-UHFFFAOYSA-N -1 0 344.729 3.978 20 0 EHADRM CCCN(Cc1ccc(OC)cc1)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000829496859 604928616 /nfs/dbraw/zinc/92/86/16/604928616.db2.gz SDMQCYANDYKQFW-UHFFFAOYSA-N -1 0 345.370 3.585 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 ZINC000237937083 604930830 /nfs/dbraw/zinc/93/08/30/604930830.db2.gz KBWJCTCJZLAREW-UHFFFAOYSA-N -1 0 345.826 3.776 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1cccc(F)c1Cl ZINC000347490890 604933834 /nfs/dbraw/zinc/93/38/34/604933834.db2.gz DZBTUUGYOWWCDX-UHFFFAOYSA-N -1 0 349.789 3.986 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)N[C@H]2CCCC(F)(F)C2)cc1 ZINC000830514280 604951250 /nfs/dbraw/zinc/95/12/50/604951250.db2.gz QCQPWNFOTYHKPY-NSHDSACASA-N -1 0 327.331 3.500 20 0 EHADRM C[C@@]1(NC(=O)Cc2csc3ccccc23)CCCC[C@@H]1C(=O)[O-] ZINC000262834276 604957820 /nfs/dbraw/zinc/95/78/20/604957820.db2.gz RIOJOGDSKDHJRM-RDTXWAMCSA-N -1 0 331.437 3.594 20 0 EHADRM C[C@]1(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)CCCC[C@H]1C(=O)[O-] ZINC000431864647 604959007 /nfs/dbraw/zinc/95/90/07/604959007.db2.gz XMELTEHAGFXBOI-KSSFIOAISA-N -1 0 348.830 3.514 20 0 EHADRM Cc1ccc(Br)c(NC(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000164171553 604975977 /nfs/dbraw/zinc/97/59/77/604975977.db2.gz WEXNDXJQNBEDLE-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM CC[C@H](C)[C@H]1CCCCN1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000828737703 604987150 /nfs/dbraw/zinc/98/71/50/604987150.db2.gz LWADYQIAZZUEIP-WCQYABFASA-N -1 0 339.461 3.593 20 0 EHADRM CCc1nc(NC(=O)C/C=C/c2cccc(F)c2)sc1C(=O)[O-] ZINC000833676900 604994280 /nfs/dbraw/zinc/99/42/80/604994280.db2.gz XOSANXDWUGUNCP-GQCTYLIASA-N -1 0 334.372 3.585 20 0 EHADRM CCc1nc(NC(=O)C/C=C\c2ccc(F)cc2)sc1C(=O)[O-] ZINC000833676962 604994426 /nfs/dbraw/zinc/99/44/26/604994426.db2.gz ZXPKENDETAHGHW-ARJAWSKDSA-N -1 0 334.372 3.585 20 0 EHADRM COc1ccc(CNC(=O)N2CCC[C@H]2CCC(C)C)cc1C(=O)[O-] ZINC000832323060 604998025 /nfs/dbraw/zinc/99/80/25/604998025.db2.gz BORXMPKIOFDQQW-HNNXBMFYSA-N -1 0 348.443 3.504 20 0 EHADRM CCc1nc(NC(=O)[C@H](c2ccccc2)C(C)C)sc1C(=O)[O-] ZINC000833674029 604999216 /nfs/dbraw/zinc/99/92/16/604999216.db2.gz NTYPTSKKEIUBNX-ZDUSSCGKSA-N -1 0 332.425 3.782 20 0 EHADRM CC[C@H](OC(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000833644542 605016711 /nfs/dbraw/zinc/01/67/11/605016711.db2.gz JIXUCZCVQKPRDS-ZDUSSCGKSA-N -1 0 347.194 3.753 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(CCC(=O)[O-])cc1)c1c(F)cccc1F ZINC000833408025 605030308 /nfs/dbraw/zinc/03/03/08/605030308.db2.gz FWUGQCQPWHVORE-LLVKDONJSA-N -1 0 333.334 3.724 20 0 EHADRM CC(C)c1ccccc1NC(=O)[C@@H](C)OC(=O)CC(C)(C)CC(=O)[O-] ZINC000833528410 605032121 /nfs/dbraw/zinc/03/21/21/605032121.db2.gz JFAQZFNQSGSCQY-CYBMUJFWSA-N -1 0 349.427 3.571 20 0 EHADRM C[C@@H](OC(=O)CC(C)(C)CC(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000833530905 605034935 /nfs/dbraw/zinc/03/49/35/605034935.db2.gz VONCBWULZDYOOL-SNVBAGLBSA-N -1 0 330.327 3.783 20 0 EHADRM C[C@@H](C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21)c1c(F)cccc1F ZINC000833402608 605039532 /nfs/dbraw/zinc/03/95/32/605039532.db2.gz QXEDKDFYOFEVLT-VXGBXAGGSA-N -1 0 345.345 3.673 20 0 EHADRM CC(C)n1cccc1C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000833513885 605039737 /nfs/dbraw/zinc/03/97/37/605039737.db2.gz ZENXIDQDJFBXDC-AWEZNQCLSA-N -1 0 334.803 3.668 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000581980554 605045110 /nfs/dbraw/zinc/04/51/10/605045110.db2.gz VRMWWZQRKFRSLO-ARJAWSKDSA-N -1 0 327.380 3.821 20 0 EHADRM Cc1ccc([C@H](CNc2ncncc2-c2ccccc2)C(=O)[O-])cc1 ZINC000833749113 605046858 /nfs/dbraw/zinc/04/68/58/605046858.db2.gz MMURRTJHVZPPJD-SFHVURJKSA-N -1 0 333.391 3.732 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)O[C@@H](C)c1ccc(F)cc1Cl ZINC000833485045 605054882 /nfs/dbraw/zinc/05/48/82/605054882.db2.gz XJVICJUBTIQNSK-TVQRCGJNSA-N -1 0 331.771 3.766 20 0 EHADRM C[C@@H](CC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccc(F)cc1F ZINC000621558989 605060667 /nfs/dbraw/zinc/06/06/67/605060667.db2.gz XCCJIKDTVCUUCU-NSHDSACASA-N -1 0 345.345 3.699 20 0 EHADRM O=C([O-])C1CCC(NC(=O)c2ccc(CCC(F)(F)F)cc2)CC1 ZINC000262649640 605060854 /nfs/dbraw/zinc/06/08/54/605060854.db2.gz KDFUVRRCGVDIIW-UHFFFAOYSA-N -1 0 343.345 3.555 20 0 EHADRM CC(C)Cn1c(S[C@H](C(=O)[O-])C2CC2)nnc1-c1ccccc1F ZINC000833494331 605070275 /nfs/dbraw/zinc/07/02/75/605070275.db2.gz NZASQHXQWQAGLL-AWEZNQCLSA-N -1 0 349.431 3.696 20 0 EHADRM CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000833525664 605071754 /nfs/dbraw/zinc/07/17/54/605071754.db2.gz AWWMRSFPCAOIHQ-NVPAJSRCSA-N -1 0 346.423 3.815 20 0 EHADRM C[C@@H](OC(=O)C1CCC(C(=O)[O-])CC1)c1ncc(-c2ccccc2)o1 ZINC000833529966 605072377 /nfs/dbraw/zinc/07/23/77/605072377.db2.gz WETUBUNKVLMNCD-LRVUVFPRSA-N -1 0 343.379 3.837 20 0 EHADRM CC(C)[C@H]1C[C@@H](CC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CCO1 ZINC000833471283 605075168 /nfs/dbraw/zinc/07/51/68/605075168.db2.gz NIEBNOSDHHNIBH-XHDPSFHLSA-N -1 0 339.819 3.818 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000327547988 605091220 /nfs/dbraw/zinc/09/12/20/605091220.db2.gz WOOATPIRSKGMNV-UHFFFAOYSA-N -1 0 347.459 3.689 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc(CC(F)(F)F)cc1)C(=O)[O-] ZINC000833641022 605103906 /nfs/dbraw/zinc/10/39/06/605103906.db2.gz VWFWYKBFZINDQG-UHFFFAOYSA-N -1 0 346.349 3.804 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(Oc2ccncc2)cc1 ZINC000051186099 605104789 /nfs/dbraw/zinc/10/47/89/605104789.db2.gz OGFZZEOALRMHBW-UHFFFAOYSA-N -1 0 328.368 3.703 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 ZINC000833454813 605106001 /nfs/dbraw/zinc/10/60/01/605106001.db2.gz SIBQMXNVKQJENZ-UHFFFAOYSA-N -1 0 344.289 3.676 20 0 EHADRM CC1(C)CO[C@H](c2ccccc2Cl)CN1Cc1ccc(C(=O)[O-])[nH]1 ZINC000833561247 605106718 /nfs/dbraw/zinc/10/67/18/605106718.db2.gz VTXQDLONHAVZEW-INIZCTEOSA-N -1 0 348.830 3.718 20 0 EHADRM Cc1ccccc1-c1nc(COc2cc(C(=O)[O-])cc(F)c2C)no1 ZINC000833752991 605119436 /nfs/dbraw/zinc/11/94/36/605119436.db2.gz IYMQGCRNHUFMTQ-UHFFFAOYSA-N -1 0 342.326 3.770 20 0 EHADRM C[C@@H]1CN(C(=O)N[C@H](CC2CCCC2)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000833622678 605125805 /nfs/dbraw/zinc/12/58/05/605125805.db2.gz MZJMXSJVPPKWKO-FHLIZLRMSA-N -1 0 344.455 3.670 20 0 EHADRM CC[C@@H](C)[C@@H](C)NC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000132521677 605129117 /nfs/dbraw/zinc/12/91/17/605129117.db2.gz DJXVQVQJEPVBHP-RKDXNWHRSA-N -1 0 343.221 3.703 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000190858332 605129220 /nfs/dbraw/zinc/12/92/20/605129220.db2.gz ZVJDUNVNHHGVBW-ZUZCIYMTSA-N -1 0 335.762 3.671 20 0 EHADRM C[C@@H]1CC[C@@H](C)N1C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000706277792 605129902 /nfs/dbraw/zinc/12/99/02/605129902.db2.gz BIPSTWVOIDNAEH-RKDXNWHRSA-N -1 0 341.205 3.552 20 0 EHADRM COc1cccc(CN(C)C(=O)Nc2ccc(Cl)cc2C(=O)[O-])c1 ZINC000324665332 605130866 /nfs/dbraw/zinc/13/08/66/605130866.db2.gz FEGKEHIBBXZQJQ-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM CC(C)(C)Oc1cc(F)ccc1NC(=O)c1cccc(C(=O)[O-])c1 ZINC000833447174 605137274 /nfs/dbraw/zinc/13/72/74/605137274.db2.gz DFJHNARQBUCHSH-UHFFFAOYSA-N -1 0 331.343 3.954 20 0 EHADRM C[C@@H](CC(=O)N(C)c1ccccc1C(=O)[O-])c1ccc(F)cc1F ZINC000833515914 605138909 /nfs/dbraw/zinc/13/89/09/605138909.db2.gz PLRBVMHXDXJALG-NSHDSACASA-N -1 0 333.334 3.820 20 0 EHADRM CC1(CC(=O)NCc2ccc(OCCCC(=O)[O-])cc2)CCCCC1 ZINC000833565157 605147533 /nfs/dbraw/zinc/14/75/33/605147533.db2.gz XZOKKIWSOZCVQA-UHFFFAOYSA-N -1 0 347.455 3.907 20 0 EHADRM CC(C)(C)C[C@H](Sc1nncn1CCc1cccs1)C(=O)[O-] ZINC000833429382 605149420 /nfs/dbraw/zinc/14/94/20/605149420.db2.gz KGBJTWZECRNYMN-LBPRGKRZSA-N -1 0 339.486 3.564 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2ccc(Cl)cc2-n2cccc2)CC1 ZINC000833772104 605151926 /nfs/dbraw/zinc/15/19/26/605151926.db2.gz GRWMFCXIKBHJKZ-UHFFFAOYSA-N -1 0 346.814 3.960 20 0 EHADRM CC1(c2ccccc2)CCN(C(=O)c2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000833574273 605152306 /nfs/dbraw/zinc/15/23/06/605152306.db2.gz SNAXVABZKGTKPT-UHFFFAOYSA-N -1 0 341.382 3.718 20 0 EHADRM CC(C)(C)C(=O)CSCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833419317 605153574 /nfs/dbraw/zinc/15/35/74/605153574.db2.gz QUTNAUGCLGYOLB-UHFFFAOYSA-N -1 0 333.409 3.888 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)C1 ZINC000833601590 605153936 /nfs/dbraw/zinc/15/39/36/605153936.db2.gz MGGWKIYCNSYHMG-QWHCGFSZSA-N -1 0 327.380 3.678 20 0 EHADRM CC(C)(C)CN(CC(C)(C)C)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000833429441 605154386 /nfs/dbraw/zinc/15/43/86/605154386.db2.gz MSCJWMJYTMHYEC-UHFFFAOYSA-N -1 0 335.444 3.684 20 0 EHADRM CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(CC(=O)[O-])cc2)c1C(C)C ZINC000431998288 605156410 /nfs/dbraw/zinc/15/64/10/605156410.db2.gz DYCKGGGNUHVHCD-UHFFFAOYSA-N -1 0 342.395 3.529 20 0 EHADRM CC1(c2ccccc2)CCN(C(=O)NCCCCCCC(=O)[O-])CC1 ZINC000833573276 605161735 /nfs/dbraw/zinc/16/17/35/605161735.db2.gz HFJOMZOYILIBTE-UHFFFAOYSA-N -1 0 346.471 3.785 20 0 EHADRM C[C@H](Nc1cncc(C(=O)[O-])n1)c1c(Cl)ccc(F)c1Cl ZINC000833524873 605180022 /nfs/dbraw/zinc/18/00/22/605180022.db2.gz KDCHASHFBAWXJM-LURJTMIESA-N -1 0 330.146 3.794 20 0 EHADRM Cc1cccc(Oc2ccccc2CNc2cncc(C(=O)[O-])n2)c1 ZINC000833753453 605183558 /nfs/dbraw/zinc/18/35/58/605183558.db2.gz NMSFZUOPWJCYTP-UHFFFAOYSA-N -1 0 335.363 3.888 20 0 EHADRM CC1(C)CC[C@@H](C(=O)OCc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000833556761 605196038 /nfs/dbraw/zinc/19/60/38/605196038.db2.gz GJHBXHTYYXDTBA-CQSZACIVSA-N -1 0 343.379 3.909 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)c1ccc2c(c1)N=S=N2 ZINC000262962126 605197977 /nfs/dbraw/zinc/19/79/77/605197977.db2.gz OGTQQGCSBFZSHL-NWDGAFQWSA-N -1 0 333.413 3.566 20 0 EHADRM CN(Cc1cc(F)c(F)c(F)c1)c1nc(Cl)c(C(=O)[O-])s1 ZINC000833693993 605205797 /nfs/dbraw/zinc/20/57/97/605205797.db2.gz DMPCVJRQIVJOBP-UHFFFAOYSA-N -1 0 336.722 3.548 20 0 EHADRM CC(C)C[C@@H]1CC[N@H+](Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000570286873 605212690 /nfs/dbraw/zinc/21/26/90/605212690.db2.gz PXUQNYDBAQWNNL-AWEZNQCLSA-N -1 0 328.412 3.908 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-] ZINC000833384212 605225515 /nfs/dbraw/zinc/22/55/15/605225515.db2.gz ANUFMKZVZKNTDB-ZSMUJPCHSA-N -1 0 341.382 3.731 20 0 EHADRM C[C@@H]1COc2ccccc2CN1C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000833632520 605226192 /nfs/dbraw/zinc/22/61/92/605226192.db2.gz YEWMFVFSSWUREZ-GFCCVEGCSA-N -1 0 341.367 3.592 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@H]1CCc2c1cccc2Cl ZINC000833696353 605231829 /nfs/dbraw/zinc/23/18/29/605231829.db2.gz JYSPFFIJCPJWKQ-INIZCTEOSA-N -1 0 343.810 3.727 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)/C=C/c1nc2ccccc2s1)C(=O)[O-] ZINC000833426671 605237393 /nfs/dbraw/zinc/23/73/93/605237393.db2.gz IDFMERBTBYXIBG-IDVQTMNDSA-N -1 0 333.409 3.742 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)c1cc(Br)ccc1F)C(=O)[O-] ZINC000833427161 605237545 /nfs/dbraw/zinc/23/75/45/605237545.db2.gz JRXSYWAKRQLRHS-NSHDSACASA-N -1 0 347.180 3.634 20 0 EHADRM CC(C)(C)OC(=O)[C@@H](NCc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000833444803 605244778 /nfs/dbraw/zinc/24/47/78/605244778.db2.gz MKOGJCZZSYEPPF-HNNXBMFYSA-N -1 0 347.436 3.619 20 0 EHADRM CC(C)(C)[C@H](NC(=O)CCCc1ccc2ccccc2c1)C(=O)[O-] ZINC000683306201 605250412 /nfs/dbraw/zinc/25/04/12/605250412.db2.gz ASTWMFJRGCAWPU-GOSISDBHSA-N -1 0 327.424 3.778 20 0 EHADRM CCCOc1ccccc1NC(=O)CN(C(=O)[O-])c1ccccc1 ZINC000826944617 605251326 /nfs/dbraw/zinc/25/13/26/605251326.db2.gz DBQCOPJQQLJOLL-UHFFFAOYSA-N -1 0 328.368 3.599 20 0 EHADRM CC(C)Nc1cc(F)ccc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000833504931 605252290 /nfs/dbraw/zinc/25/22/90/605252290.db2.gz RJFWQXVPBOECJP-UHFFFAOYSA-N -1 0 330.359 3.525 20 0 EHADRM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CC(C)(C)CC(=O)[O-] ZINC000061827016 605254704 /nfs/dbraw/zinc/25/47/04/605254704.db2.gz LIUAQEKPODNICM-UHFFFAOYSA-N -1 0 332.227 3.843 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000833452094 605260956 /nfs/dbraw/zinc/26/09/56/605260956.db2.gz ZLICSRDCIHROHH-CQSZACIVSA-N -1 0 325.355 3.519 20 0 EHADRM Cc1cc(F)cc(NC(=O)N2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)c1 ZINC000830062283 605261449 /nfs/dbraw/zinc/26/14/49/605261449.db2.gz RMKZUFBWPFCQHM-CJNGLKHVSA-N -1 0 349.406 3.520 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(Cl)c(Br)c1 ZINC000084726825 605263639 /nfs/dbraw/zinc/26/36/39/605263639.db2.gz XIXFVEMNOFXVAC-UHFFFAOYSA-N -1 0 348.624 3.932 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000630299481 605265012 /nfs/dbraw/zinc/26/50/12/605265012.db2.gz LENCRCKNWPRRKA-HNNXBMFYSA-N -1 0 345.439 3.830 20 0 EHADRM CC(C)[C@H]1C[C@H](CC(=O)Nc2ccc(NC(=O)[O-])c(F)c2)CCO1 ZINC000833472492 605275034 /nfs/dbraw/zinc/27/50/34/605275034.db2.gz STBRQVHKBOTGRI-IAQYHMDHSA-N -1 0 338.379 3.695 20 0 EHADRM C[C@@H](CNc1ccccc1)NC(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833519847 605284005 /nfs/dbraw/zinc/28/40/05/605284005.db2.gz XGAYHIIPSFUWFX-NSHDSACASA-N -1 0 346.362 3.538 20 0 EHADRM CCC(CC)[C@@H]1C[C@@H](Nc2nc(Cl)c(C(=O)[O-])s2)CCO1 ZINC000833642234 605295150 /nfs/dbraw/zinc/29/51/50/605295150.db2.gz IUCPYRSHAVUNTB-UWVGGRQHSA-N -1 0 332.853 3.890 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)[C@@H](F)Cc1ccccc1)c1ccccc1 ZINC000833411327 605297665 /nfs/dbraw/zinc/29/76/65/605297665.db2.gz CHJXFIKFHSXFKG-IRXDYDNUSA-N -1 0 343.398 3.536 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1ccnc(C2CC2)c1)c1ccccc1 ZINC000833412776 605300346 /nfs/dbraw/zinc/30/03/46/605300346.db2.gz LFBHWWLHQOHRES-QGZVFWFLSA-N -1 0 338.407 3.541 20 0 EHADRM CCOc1ccc(CCC(=O)OCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000833664130 605305017 /nfs/dbraw/zinc/30/50/17/605305017.db2.gz LWUZLMHUJMRALS-UHFFFAOYSA-N -1 0 343.379 3.851 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccsc1)c1ccc(C(F)(F)F)cc1 ZINC000833772918 605310931 /nfs/dbraw/zinc/31/09/31/605310931.db2.gz MIRZGOXHMJDEQK-LBPRGKRZSA-N -1 0 343.326 3.713 20 0 EHADRM CC(C)[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000833468234 605312062 /nfs/dbraw/zinc/31/20/62/605312062.db2.gz DABWEDLHDFIDCT-ZWNOBZJWSA-N -1 0 331.334 3.630 20 0 EHADRM CC(C)CCn1ccc(N[C@@H](C(=O)[O-])c2c(F)cccc2Cl)n1 ZINC000833485490 605360779 /nfs/dbraw/zinc/36/07/79/605360779.db2.gz VDCAKBHQKLXZBT-OAHLLOKOSA-N -1 0 339.798 3.960 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000192846903 605441677 /nfs/dbraw/zinc/44/16/77/605441677.db2.gz BHLBFDQPRJJWIP-KBXCAEBGSA-N -1 0 343.398 3.645 20 0 EHADRM CC(C)c1nnc(CNc2ccc(NC(=O)[O-])cc2C(F)(F)F)o1 ZINC000824503374 605450928 /nfs/dbraw/zinc/45/09/28/605450928.db2.gz NLAVMGFSEOJYIP-UHFFFAOYSA-N -1 0 344.293 3.914 20 0 EHADRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=S)Nc1ccc2ccccc2c1 ZINC000825844222 605451961 /nfs/dbraw/zinc/45/19/61/605451961.db2.gz HZIJHHWAEZWNHR-LRDDRELGSA-N -1 0 343.452 3.657 20 0 EHADRM CC(C)OCCCC(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833503952 605488501 /nfs/dbraw/zinc/48/85/01/605488501.db2.gz VVHMOWRBAIGWBT-AWEZNQCLSA-N -1 0 349.210 3.868 20 0 EHADRM CC(C)(C)Sc1cc(C(=O)Nc2ccsc2C(=O)[O-])ccn1 ZINC000833448143 605501972 /nfs/dbraw/zinc/50/19/72/605501972.db2.gz LMEXSFPMOANTII-UHFFFAOYSA-N -1 0 336.438 3.984 20 0 EHADRM C[C@@H](OC(=O)Cc1ccccc1C(=O)[O-])c1cnc2ccccc2c1 ZINC000833529219 605521414 /nfs/dbraw/zinc/52/14/14/605521414.db2.gz BKXYZYUDMAPLSK-CYBMUJFWSA-N -1 0 335.359 3.780 20 0 EHADRM COc1ccc(Cl)cc1NC(=O)C[C@H](NC(=O)[O-])c1ccccc1 ZINC000829404257 605562350 /nfs/dbraw/zinc/56/23/50/605562350.db2.gz KMYQLUCALRCJLU-ZDUSSCGKSA-N -1 0 348.786 3.686 20 0 EHADRM O=C([O-])N[C@H](CC(=O)N[C@H](c1cccs1)C1CC1)c1ccccc1 ZINC000832099763 605575566 /nfs/dbraw/zinc/57/55/66/605575566.db2.gz PPRGPLPSDMESJG-PBHICJAKSA-N -1 0 344.436 3.714 20 0 EHADRM Cc1cc(C(=O)N2CCCc3cccc(F)c32)ccc1NC(=O)[O-] ZINC000829930392 605591391 /nfs/dbraw/zinc/59/13/91/605591391.db2.gz RIARIDIOSZLRGA-UHFFFAOYSA-N -1 0 328.343 3.817 20 0 EHADRM CCOc1cc(C)ccc1NC(=O)C[C@H](NC(=O)[O-])c1ccccc1 ZINC000827414258 605591947 /nfs/dbraw/zinc/59/19/47/605591947.db2.gz XVLUALUHERVGBT-INIZCTEOSA-N -1 0 342.395 3.731 20 0 EHADRM C[C@H](c1ccccc1)c1ccc(OC(=O)c2cnc(C(=O)[O-])cn2)cc1 ZINC000833547875 605605062 /nfs/dbraw/zinc/60/50/62/605605062.db2.gz FPJDIHUMPWLQQM-CYBMUJFWSA-N -1 0 348.358 3.546 20 0 EHADRM Cc1cc(C(=O)N2CCCc3cc(F)c(F)cc32)ccc1NC(=O)[O-] ZINC000829930341 605607450 /nfs/dbraw/zinc/60/74/50/605607450.db2.gz PFNFEJHUPPSHBP-UHFFFAOYSA-N -1 0 346.333 3.956 20 0 EHADRM C[C@H]1CC[C@H](C(F)(F)F)CN1c1nc(Cl)c(C(=O)[O-])s1 ZINC000833605321 605608963 /nfs/dbraw/zinc/60/89/63/605608963.db2.gz IYOATGYTZGILMT-WDSKDSINSA-N -1 0 328.743 3.662 20 0 EHADRM Cc1ccc(C(F)(F)C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000833749097 605630101 /nfs/dbraw/zinc/63/01/01/605630101.db2.gz MFBNYVIFIFHEMZ-HNNXBMFYSA-N -1 0 345.345 3.692 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)O[C@@H](c2ccccn2)C(F)(F)F)cc1 ZINC000834254727 605658633 /nfs/dbraw/zinc/65/86/33/605658633.db2.gz CISWWZDVKKWMSA-LBPRGKRZSA-N -1 0 340.257 3.632 20 0 EHADRM CCc1cc(C(=O)Nc2ccccc2CN(C)C(=O)[O-])oc1CC ZINC000827556908 605672552 /nfs/dbraw/zinc/67/25/52/605672552.db2.gz OHPYDUBLBZHSNF-UHFFFAOYSA-N -1 0 330.384 3.767 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)c1c[nH]c2cccc(F)c12 ZINC000834055657 605673214 /nfs/dbraw/zinc/67/32/14/605673214.db2.gz ARQKBABDLHDBQZ-UHFFFAOYSA-N -1 0 339.326 3.600 20 0 EHADRM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000833606865 605675630 /nfs/dbraw/zinc/67/56/30/605675630.db2.gz WYNPDZZMMNEPBB-ONGXEEELSA-N -1 0 330.306 3.580 20 0 EHADRM CCS[C@H]1CCCCN(C(=O)c2ccc(NC(=O)[O-])c(C)c2)C1 ZINC000827502619 605687963 /nfs/dbraw/zinc/68/79/63/605687963.db2.gz DINUULISVZHSFN-AWEZNQCLSA-N -1 0 336.457 3.833 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCCOc3ccccc32)c(Cl)c1 ZINC000834259373 605692556 /nfs/dbraw/zinc/69/25/56/605692556.db2.gz ZVOJMOSQFQXHMK-UHFFFAOYSA-N -1 0 346.770 3.859 20 0 EHADRM Cc1cc(C(=O)N[C@H]2CSc3ccccc32)ccc1NC(=O)[O-] ZINC000829944707 605695568 /nfs/dbraw/zinc/69/55/68/605695568.db2.gz DAADYAGPTSYQHS-AWEZNQCLSA-N -1 0 328.393 3.662 20 0 EHADRM CCS[C@@H]1CC[C@H](N(C)C(=O)c2ccc(NC(=O)[O-])c(C)c2)C1 ZINC000827495262 605703239 /nfs/dbraw/zinc/70/32/39/605703239.db2.gz IFYHRRZAVDJDCF-UONOGXRCSA-N -1 0 336.457 3.831 20 0 EHADRM CCS[C@H]1CC[C@@H](N(C)C(=O)c2ccc(NC(=O)[O-])c(C)c2)C1 ZINC000827495260 605703352 /nfs/dbraw/zinc/70/33/52/605703352.db2.gz IFYHRRZAVDJDCF-KGLIPLIRSA-N -1 0 336.457 3.831 20 0 EHADRM Cc1cc(C(=O)N(Cc2ccccc2)CC(F)F)ccc1NC(=O)[O-] ZINC000829919304 605704102 /nfs/dbraw/zinc/70/41/02/605704102.db2.gz JAYVTVZGLUBNLB-UHFFFAOYSA-N -1 0 348.349 3.992 20 0 EHADRM COc1ccc(N(C)C(=O)c2ccc(NC(=O)[O-])c(C)c2)cc1F ZINC000829423127 605711323 /nfs/dbraw/zinc/71/13/23/605711323.db2.gz BFGLJZCGPLKPIM-UHFFFAOYSA-N -1 0 332.331 3.509 20 0 EHADRM CCOCCC1(CNC(=O)c2ccc(NC(=O)[O-])c(C)c2)CCCC1 ZINC000827394343 605713510 /nfs/dbraw/zinc/71/35/10/605713510.db2.gz PVPBUURISAETQQ-UHFFFAOYSA-N -1 0 348.443 3.802 20 0 EHADRM C[C@@H](OCc1ccccc1)c1nc([C@@H]2CCCCCN2C(=O)[O-])no1 ZINC000833895517 605719145 /nfs/dbraw/zinc/71/91/45/605719145.db2.gz DZWPQPFYFPZRAJ-HIFRSBDPSA-N -1 0 345.399 3.943 20 0 EHADRM O=C([O-])N1CCCCC[C@H]1c1noc([C@@H]2CCOc3ccccc32)n1 ZINC000834110056 605721498 /nfs/dbraw/zinc/72/14/98/605721498.db2.gz VYESCJYQHJONSL-KGLIPLIRSA-N -1 0 343.383 3.579 20 0 EHADRM O=C([O-])Nc1cccc(CSc2nnc(-c3ccncc3)o2)c1 ZINC000834268207 605764833 /nfs/dbraw/zinc/76/48/33/605764833.db2.gz GHMWPGVQPIXDDD-UHFFFAOYSA-N -1 0 328.353 3.514 20 0 EHADRM CCCCCOc1ccc(C(=O)N2CC[C@H](NC(=O)[O-])C[C@H]2C)cc1 ZINC000826826084 605775812 /nfs/dbraw/zinc/77/58/12/605775812.db2.gz OFJLMPCOLFQJDV-ZBFHGGJFSA-N -1 0 348.443 3.516 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)C[C@@H]2CCc3ccccc3C2)c(F)c1 ZINC000833775876 605797914 /nfs/dbraw/zinc/79/79/14/605797914.db2.gz ALZOWAXCSKQFAZ-CYBMUJFWSA-N -1 0 342.366 3.553 20 0 EHADRM CCOc1cc(N[C@H]2C[C@H](NC(=O)[O-])c3ccccc32)ccc1OC ZINC000833862502 605806899 /nfs/dbraw/zinc/80/68/99/605806899.db2.gz YAJCLLKHGJCYFV-HOTGVXAUSA-N -1 0 342.395 3.960 20 0 EHADRM Cc1cc(C(=O)OCc2ncc(C(C)(C)C)o2)ccc1NC(=O)[O-] ZINC000829975710 605832184 /nfs/dbraw/zinc/83/21/84/605832184.db2.gz HAFPBXCIBPBKQD-UHFFFAOYSA-N -1 0 332.356 3.727 20 0 EHADRM O=C([O-])c1ccc(F)c(CN[C@@H](c2ccccc2)c2ccccn2)c1 ZINC000833780942 605839604 /nfs/dbraw/zinc/83/96/04/605839604.db2.gz KDBXWUSYGQKOMK-IBGZPJMESA-N -1 0 336.366 3.798 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)N(C1CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000823859000 605875483 /nfs/dbraw/zinc/87/54/83/605875483.db2.gz HDXIMRANHQDFQB-CQSZACIVSA-N -1 0 345.443 3.733 20 0 EHADRM O=C([O-])NCCCCC(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000834235115 605893309 /nfs/dbraw/zinc/89/33/09/605893309.db2.gz ODHAGYLUKNATDB-UHFFFAOYSA-N -1 0 333.413 3.550 20 0 EHADRM C[C@H](OC(=O)c1cc(C(=O)[O-])no1)c1ccccc1-c1ccccc1 ZINC000833530124 605902024 /nfs/dbraw/zinc/90/20/24/605902024.db2.gz AGUPPJGQXYVIGW-LBPRGKRZSA-N -1 0 337.331 3.958 20 0 EHADRM COc1ccc(NC(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)cc1NC(=O)[O-] ZINC000833888797 605911329 /nfs/dbraw/zinc/91/13/29/605911329.db2.gz HLIGELXYNAPBAE-KPZWWZAWSA-N -1 0 347.415 3.829 20 0 EHADRM COc1ccc(NC(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)cc1NC(=O)[O-] ZINC000833888803 605911459 /nfs/dbraw/zinc/91/14/59/605911459.db2.gz HLIGELXYNAPBAE-XIKOKIGWSA-N -1 0 347.415 3.829 20 0 EHADRM O=C([O-])N[C@H](CNC(=O)N(c1ccccc1)c1ccccc1)C1CC1 ZINC000834139141 605962268 /nfs/dbraw/zinc/96/22/68/605962268.db2.gz HZWTZFNYWHDXCP-QGZVFWFLSA-N -1 0 339.395 3.581 20 0 EHADRM O=C([O-])NC[C@@H](C(=O)Nc1ccc(-c2ccc[nH]2)cc1)c1ccccc1 ZINC000834211062 605978226 /nfs/dbraw/zinc/97/82/26/605978226.db2.gz VSAPRKSCBXXECK-QGZVFWFLSA-N -1 0 349.390 3.672 20 0 EHADRM O=C([O-])NC1CCC(N[C@@H](CCc2ccccc2)C(F)(F)F)CC1 ZINC000834166766 605985076 /nfs/dbraw/zinc/98/50/76/605985076.db2.gz ZFQDCTNWMNDUQZ-NRXISQOPSA-N -1 0 344.377 3.719 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NCc1cnoc1-c1ccco1 ZINC000834118302 605992948 /nfs/dbraw/zinc/99/29/48/605992948.db2.gz KCYVWWXNFVBCLZ-UHFFFAOYSA-N -1 0 325.324 3.587 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)Nc2cccc(-c3ncco3)c2)cc1 ZINC000834256302 606004934 /nfs/dbraw/zinc/00/49/34/606004934.db2.gz PPEHSJXUPRQCPE-UHFFFAOYSA-N -1 0 337.335 3.613 20 0 EHADRM COc1ccc2cc(C(=O)Nc3cc(NC(=O)[O-])ccc3C)[nH]c2c1 ZINC000833891132 606004982 /nfs/dbraw/zinc/00/49/82/606004982.db2.gz DEHZDNZKOJEICZ-UHFFFAOYSA-N -1 0 339.351 3.827 20 0 EHADRM CCCN(C(=O)c1cccc(C)c1Cl)C1CCN(C(=O)[O-])CC1 ZINC000833853445 606033063 /nfs/dbraw/zinc/03/30/63/606033063.db2.gz JRLIHWPIQAIBDS-UHFFFAOYSA-N -1 0 338.835 3.643 20 0 EHADRM O=C([O-])Nc1ccc(OC[C@@H](O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000834263139 606039515 /nfs/dbraw/zinc/03/95/15/606039515.db2.gz WWGBIFTZJIYLHJ-CQSZACIVSA-N -1 0 341.285 3.908 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2ccc(Oc3ccccc3)cc2)CCCC1 ZINC000143456533 939032509 /nfs/dbraw/zinc/03/25/09/939032509.db2.gz WQSPWKNKZULIIZ-UHFFFAOYSA-N -1 0 340.379 3.998 20 0 EHADRM O=C([O-])C1(NC(=O)Cc2cc3c(ccc4ccccc34)o2)CCCC1 ZINC000190581698 939034800 /nfs/dbraw/zinc/03/48/00/939034800.db2.gz LNTASZQDGMEXSU-UHFFFAOYSA-N -1 0 337.375 3.642 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cccc2[nH]ccc21)c1ccc(Cl)c(F)c1 ZINC000181908259 939035167 /nfs/dbraw/zinc/03/51/67/939035167.db2.gz NXARLYKJOXNOOQ-HNNXBMFYSA-N -1 0 346.745 3.516 20 0 EHADRM O=C([O-])[C@@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(Cl)c(F)c1 ZINC000191127120 939036190 /nfs/dbraw/zinc/03/61/90/939036190.db2.gz WQIBLILKRDWRPJ-LBPRGKRZSA-N -1 0 349.736 3.547 20 0 EHADRM CSc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)c1 ZINC000684745454 939047442 /nfs/dbraw/zinc/04/74/42/939047442.db2.gz OIVQCTZKPUNPHF-OAHLLOKOSA-N -1 0 348.399 3.803 20 0 EHADRM Cc1c(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)sc2cccc(F)c12 ZINC000237818325 939050859 /nfs/dbraw/zinc/05/08/59/939050859.db2.gz SMXREPAILGNFKR-OAHLLOKOSA-N -1 0 343.379 3.905 20 0 EHADRM CC(C)OCc1ccc(C(=O)NC2(C(=O)[O-])CCCCCC2)cc1 ZINC000261834793 939058018 /nfs/dbraw/zinc/05/80/18/939058018.db2.gz IGVDKHCDYQENQX-UHFFFAOYSA-N -1 0 333.428 3.519 20 0 EHADRM O=C([O-])C1(NC(=O)c2ccc(OC3CCCC3)cc2)CCCCCC1 ZINC000746366734 939062629 /nfs/dbraw/zinc/06/26/29/939062629.db2.gz LOXPASONDZPOPS-UHFFFAOYSA-N -1 0 345.439 3.915 20 0 EHADRM O=C([O-])[C@@H](NC(=O)/C=C/c1cccc(F)c1)c1ccc2ccccc2c1 ZINC000762204966 939070844 /nfs/dbraw/zinc/07/08/44/939070844.db2.gz BXYDHDJBJMXJCE-ZBWUASRJSA-N -1 0 349.361 3.934 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1scnc1Cl)c1ccc2ccccc2c1 ZINC000762210530 939071876 /nfs/dbraw/zinc/07/18/76/939071876.db2.gz MHRKRSYXQNUFNH-GFCCVEGCSA-N -1 0 346.795 3.505 20 0 EHADRM C[C@H](CC(=O)N[C@@](C)(C(=O)[O-])c1ccc(F)cc1)c1ccccc1F ZINC000263124569 939101930 /nfs/dbraw/zinc/10/19/30/939101930.db2.gz GZXRRWSKSSUNNI-CWTRNNRKSA-N -1 0 347.361 3.575 20 0 EHADRM C[C@@H](CC(=O)N[C@](C)(C(=O)[O-])c1ccc(F)cc1)c1cccc(F)c1 ZINC000263158311 939105214 /nfs/dbraw/zinc/10/52/14/939105214.db2.gz JNIPLXLUXBVPSA-BUXKBTBVSA-N -1 0 347.361 3.575 20 0 EHADRM O=C([O-])C1(NC(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)CCCCC1 ZINC000263180431 939107196 /nfs/dbraw/zinc/10/71/96/939107196.db2.gz RIHSMPODEOINAM-LBPRGKRZSA-N -1 0 347.308 3.620 20 0 EHADRM O=C([O-])C1(NC(=O)CCc2ccc(-c3ccccc3)[nH]2)CCCCC1 ZINC000263236046 939111378 /nfs/dbraw/zinc/11/13/78/939111378.db2.gz JONBJFSLBWGLEL-UHFFFAOYSA-N -1 0 340.423 3.518 20 0 EHADRM Cc1cc([C@H](C)NC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)c(C)s1 ZINC000324388558 939125280 /nfs/dbraw/zinc/12/52/80/939125280.db2.gz YGQDAYCFWLWOQJ-KPZWWZAWSA-N -1 0 346.452 3.725 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000324581924 939126186 /nfs/dbraw/zinc/12/61/86/939126186.db2.gz XKEQFCHJTFDGHV-CYBMUJFWSA-N -1 0 338.285 3.653 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2cccc(C(F)F)c2)CCCCCC1 ZINC000386226237 939132906 /nfs/dbraw/zinc/13/29/06/939132906.db2.gz LCIJTKKMVRMEKB-UHFFFAOYSA-N -1 0 326.343 3.923 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1ccc(Cl)c(F)c1)C1CCCCC1 ZINC000386931489 939133591 /nfs/dbraw/zinc/13/35/91/939133591.db2.gz OMWBRKFIXHAUSB-CYBMUJFWSA-N -1 0 328.771 3.634 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC000414447569 939140799 /nfs/dbraw/zinc/14/07/99/939140799.db2.gz LAUJGLHOXANUJQ-TZMCWYRMSA-N -1 0 335.450 3.561 20 0 EHADRM C[C@H](CC(=O)N[C@H](C(=O)[O-])c1ccccc1)Cc1ccc(Cl)cc1 ZINC000431465218 939152663 /nfs/dbraw/zinc/15/26/63/939152663.db2.gz NENHBFYMVNFMQF-UGSOOPFHSA-N -1 0 345.826 3.851 20 0 EHADRM CC[C@H](NC(=O)N[C@](C)(C(=O)[O-])c1ccccc1)c1ccc(C)cc1 ZINC000797718180 939179906 /nfs/dbraw/zinc/17/99/06/939179906.db2.gz OVEMGOVKGFCDLO-PXNSSMCTSA-N -1 0 340.423 3.745 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000797742582 939204486 /nfs/dbraw/zinc/20/44/86/939204486.db2.gz KIPVBFLNZLBYKE-YJYMSZOUSA-N -1 0 342.395 3.516 20 0 EHADRM Cc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)c(C)n1C1CC1 ZINC000448995412 939206303 /nfs/dbraw/zinc/20/63/03/939206303.db2.gz PXHOJYABBNRWJR-GOSISDBHSA-N -1 0 340.423 3.612 20 0 EHADRM CC[C@@](NC(=O)Cc1ccc(F)cc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507311586 939234356 /nfs/dbraw/zinc/23/43/56/939234356.db2.gz NDKDMLRGJLBRJN-SFHVURJKSA-N -1 0 349.789 3.528 20 0 EHADRM CC(C)(C)OC(=O)N[C@@](C)(C(=O)[O-])c1ccc(-c2ccncc2)cc1 ZINC000863974311 939246331 /nfs/dbraw/zinc/24/63/31/939246331.db2.gz YOMWUEPJHDZLSO-LJQANCHMSA-N -1 0 342.395 3.573 20 0 EHADRM CCOc1ccc(NC(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1 ZINC000518470919 939250017 /nfs/dbraw/zinc/25/00/17/939250017.db2.gz KBJACZKJTRUUCX-KRWDZBQOSA-N -1 0 342.395 3.650 20 0 EHADRM CCC1CCC(NC(=O)c2sccc2C(F)F)(C(=O)[O-])CC1 ZINC000872713673 939262302 /nfs/dbraw/zinc/26/23/02/939262302.db2.gz CBKJNTFFTBSPSN-UHFFFAOYSA-N -1 0 331.384 3.839 20 0 EHADRM CC[C@H](CC(=O)N[C@H](C(=O)[O-])c1ccc(OC(F)F)cc1)C(C)C ZINC000537402866 939268983 /nfs/dbraw/zinc/26/89/83/939268983.db2.gz JZTSSVRUNSVYJO-ABAIWWIYSA-N -1 0 343.370 3.602 20 0 EHADRM Cc1cc([C@@H](NC(=O)N(C)Cc2ccccc2)C(=O)[O-])ccc1Cl ZINC000548217878 939296371 /nfs/dbraw/zinc/29/63/71/939296371.db2.gz UOOKPEODWSCWNV-MRXNPFEDSA-N -1 0 346.814 3.616 20 0 EHADRM Cc1cc([C@@H](NC(=O)Nc2ccc(Cl)cc2)C(=O)[O-])ccc1F ZINC000555760001 939302057 /nfs/dbraw/zinc/30/20/57/939302057.db2.gz CPVZHVLMCLLQGU-CQSZACIVSA-N -1 0 336.750 3.735 20 0 EHADRM Cc1ccc(CNC(=O)N[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)c(C)c1 ZINC000562397925 939322947 /nfs/dbraw/zinc/32/29/47/939322947.db2.gz ABSLEMWLYBIKJW-GOSISDBHSA-N -1 0 340.423 3.545 20 0 EHADRM CSCc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC000562462778 939333704 /nfs/dbraw/zinc/33/37/04/939333704.db2.gz FAMZGZKGLRLQLI-ZDUSSCGKSA-N -1 0 336.438 3.559 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)N[C@H](C(=O)[O-])c1ccsc1 ZINC000563448584 939339078 /nfs/dbraw/zinc/33/90/78/939339078.db2.gz CCSRGHLKHNAYQR-YGRLFVJLSA-N -1 0 337.828 3.522 20 0 EHADRM CC1(C)C[C@H](NC(=O)N[C@H](C(=O)[O-])c2ccccc2)c2ccccc21 ZINC000564484052 939344775 /nfs/dbraw/zinc/34/47/75/939344775.db2.gz LRIHYDJFPYHSDV-IRXDYDNUSA-N -1 0 338.407 3.534 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1ccccc1)c1ccc(Cl)cc1Cl ZINC000566892848 939357890 /nfs/dbraw/zinc/35/78/90/939357890.db2.gz IFBQEKRKDQMPGO-CYBMUJFWSA-N -1 0 339.178 3.941 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1ccc(C2CCC2)cc1)c1cccc(O)c1 ZINC000568963602 939372125 /nfs/dbraw/zinc/37/21/25/939372125.db2.gz ZKKNDHVTWWMZJZ-QGZVFWFLSA-N -1 0 340.379 3.607 20 0 EHADRM CC[C@H](CC(=O)N[C@@H](C(=O)[O-])c1ccsc1)c1ccc(C)cc1 ZINC000570057888 939380986 /nfs/dbraw/zinc/38/09/86/939380986.db2.gz JZXLBCCPXZIFSS-CXAGYDPISA-N -1 0 331.437 3.882 20 0 EHADRM CCC1CCC(NC(=O)Nc2cccc([C@H](C)OC)c2)(C(=O)[O-])CC1 ZINC000575860991 939735068 /nfs/dbraw/zinc/73/50/68/939735068.db2.gz VQWFUTYKZKKBEQ-CDJWAVJASA-N -1 0 348.443 3.939 20 0 EHADRM Cc1cc(NC(=O)N[C@@H](C(=O)[O-])c2cccs2)ccc1OC(C)C ZINC000576421283 939739133 /nfs/dbraw/zinc/73/91/33/939739133.db2.gz FBALUQAJAGUWDJ-OAHLLOKOSA-N -1 0 348.424 3.791 20 0 EHADRM O=C([O-])[C@H](NC(=O)C1CC2(CCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000911061774 939767985 /nfs/dbraw/zinc/76/79/85/939767985.db2.gz OPIGOIKDXLQJOQ-CYBMUJFWSA-N -1 0 341.329 3.528 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1ccccc1F)c1ccc2ccccc2c1 ZINC000580691622 939773481 /nfs/dbraw/zinc/77/34/81/939773481.db2.gz HPDXDVAZASRERY-QGZVFWFLSA-N -1 0 338.338 3.926 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1ccccc1C(F)(F)F)c1ccsc1 ZINC000582882711 939787317 /nfs/dbraw/zinc/78/73/17/939787317.db2.gz OXHAWVMCEHNUKB-NSHDSACASA-N -1 0 344.314 3.714 20 0 EHADRM CC[C@@](NC(=O)C[C@H](C)c1ccco1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000630172448 939813998 /nfs/dbraw/zinc/81/39/98/939813998.db2.gz IPOCGOUEOMLYII-SGTLLEGYSA-N -1 0 349.814 3.933 20 0 EHADRM CO[C@@H]1CCC[C@@H]([C@@H](NC(=O)CCC2CCCCCC2)C(=O)[O-])C1 ZINC000656246625 939843129 /nfs/dbraw/zinc/84/31/29/939843129.db2.gz SMXMXTXAEUODGT-JFIYKMOQSA-N -1 0 339.476 3.512 20 0 EHADRM COc1cccc([C@H](NC(=O)Nc2cccc(C(C)C)c2)C(=O)[O-])c1 ZINC000656504822 939843697 /nfs/dbraw/zinc/84/36/97/939843697.db2.gz OMDDJENBFJFACQ-KRWDZBQOSA-N -1 0 342.395 3.766 20 0 EHADRM CC(C)c1nc2cc(NC(=O)[C@@H](C(=O)[O-])C3CCCC3)ccc2o1 ZINC000663071168 939852527 /nfs/dbraw/zinc/85/25/27/939852527.db2.gz JEOAZMHIKFRVRH-HNNXBMFYSA-N -1 0 330.384 3.781 20 0 EHADRM CC(C)(c1ccc(C(=O)NC2(C(=O)[O-])CCCC2)cc1)C(F)(F)F ZINC000668267381 939860652 /nfs/dbraw/zinc/86/06/52/939860652.db2.gz MPIUAYZDKTVIHQ-UHFFFAOYSA-N -1 0 343.345 3.654 20 0 EHADRM CC[C@@](NC(=O)CC1CC(F)(F)C1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000668286113 939860821 /nfs/dbraw/zinc/86/08/21/939860821.db2.gz ZRGKCLOCYUHMRK-INIZCTEOSA-N -1 0 345.773 3.582 20 0 EHADRM C[C@](NC(=O)CCc1ccc2ccccc2c1)(C(=O)[O-])c1ccccc1 ZINC000675979174 939864164 /nfs/dbraw/zinc/86/41/64/939864164.db2.gz CPUJSVNNZRGNMN-JOCHJYFZSA-N -1 0 347.414 3.889 20 0 EHADRM C[C@@H](CC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000683308412 939870478 /nfs/dbraw/zinc/87/04/78/939870478.db2.gz SKHSRAJVMSIQML-HXPMCKFVSA-N -1 0 347.361 3.575 20 0 EHADRM O=C([O-])[C@@]1(NC(=O)c2cccc(-c3ccoc3)c2)CCc2ccccc21 ZINC000683310207 939870731 /nfs/dbraw/zinc/87/07/31/939870731.db2.gz RHTCHMHGIIUMJL-OAQYLSRUSA-N -1 0 347.370 3.603 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)[C@H]2CCOc3ccccc32)s1 ZINC000321472306 970775674 /nfs/dbraw/zinc/77/56/74/970775674.db2.gz QDZGHCKZQFUBLV-LBPRGKRZSA-N -1 0 331.393 3.514 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)s1 ZINC000322000154 970835069 /nfs/dbraw/zinc/83/50/69/970835069.db2.gz MDLVJLGEOSAMNL-MRVPVSSYSA-N -1 0 340.351 3.916 20 0 EHADRM O=C([O-])c1cccc2c1CCN(c1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000322411887 970885644 /nfs/dbraw/zinc/88/56/44/970885644.db2.gz WHBMRWBJEBCPHN-UHFFFAOYSA-N -1 0 332.743 3.509 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)C1CCC(C(F)(F)F)CC1 ZINC000322462485 970889516 /nfs/dbraw/zinc/88/95/16/970889516.db2.gz IATALRFMXXMFMM-UHFFFAOYSA-N -1 0 329.318 3.621 20 0 EHADRM CC(C)(C)[C@@H]1CCN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000322516125 970897885 /nfs/dbraw/zinc/89/78/85/970897885.db2.gz HWHDAIYDDQAGNZ-SECBINFHSA-N -1 0 326.343 3.563 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc(Cl)n1 ZINC000323014160 970958519 /nfs/dbraw/zinc/95/85/19/970958519.db2.gz OTRLTDBUXDGWHT-UHFFFAOYSA-N -1 0 332.787 3.658 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)Nc2ccc(COC3CCCC3)cc2)C1 ZINC001601602040 971028839 /nfs/dbraw/zinc/02/88/39/971028839.db2.gz IYKGUQJSCJCDKQ-ZBFHGGJFSA-N -1 0 346.427 3.521 20 0 EHADRM COc1ccc(COc2cc(/C=C/C(=O)[O-])ccc2OC)cc1F ZINC000323817774 971041765 /nfs/dbraw/zinc/04/17/65/971041765.db2.gz CVNHNMFTLYNZAR-VMPITWQZSA-N -1 0 332.327 3.520 20 0 EHADRM Cc1ccc(C(=O)N2CCCc3c(C(=O)[O-])cccc32)c(Cl)c1 ZINC000324216491 971097235 /nfs/dbraw/zinc/09/72/35/971097235.db2.gz ULRGITLKIJZZAI-UHFFFAOYSA-N -1 0 329.783 3.940 20 0 EHADRM Cc1[nH]c2ccc(C(=O)Nc3ccc(F)c(C(=O)[O-])c3)cc2c1C ZINC000324211459 971097580 /nfs/dbraw/zinc/09/75/80/971097580.db2.gz ODLJCYUESBIHHH-UHFFFAOYSA-N -1 0 326.327 3.874 20 0 EHADRM CO[C@H](C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)c1ccccc1 ZINC000324353785 971112387 /nfs/dbraw/zinc/11/23/87/971112387.db2.gz PMOALXXJCAILPJ-HNNXBMFYSA-N -1 0 345.420 3.651 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2csc(-c3ccco3)n2)CCCCC1 ZINC000324455453 971122674 /nfs/dbraw/zinc/12/26/74/971122674.db2.gz ZUNLGQSXPNDERW-UHFFFAOYSA-N -1 0 348.424 3.558 20 0 EHADRM CC(C)COc1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000324523080 971129132 /nfs/dbraw/zinc/12/91/32/971129132.db2.gz XJSNKDHNOMYCQG-UHFFFAOYSA-N -1 0 331.343 3.811 20 0 EHADRM C[C@H](c1cc(F)ccc1F)N(C)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000324558703 971132561 /nfs/dbraw/zinc/13/25/61/971132561.db2.gz OVCKZTLUKDWDKM-GFCCVEGCSA-N -1 0 339.382 3.909 20 0 EHADRM CCCCc1noc(COc2c(C(=O)[O-])ccc3ccccc32)n1 ZINC000324596036 971137307 /nfs/dbraw/zinc/13/73/07/971137307.db2.gz KDQTVKXBQYWTMS-UHFFFAOYSA-N -1 0 326.352 3.843 20 0 EHADRM CC(C)Cc1noc(COc2c(C(=O)[O-])ccc3ccccc32)n1 ZINC000324598956 971137349 /nfs/dbraw/zinc/13/73/49/971137349.db2.gz LBSYWRCOBMFPFR-UHFFFAOYSA-N -1 0 326.352 3.699 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@](C)(C(=O)[O-])C2)cc1C(F)(F)F ZINC000324705417 971149594 /nfs/dbraw/zinc/14/95/94/971149594.db2.gz AQXUARBSYQLGOX-HNNXBMFYSA-N -1 0 344.333 3.732 20 0 EHADRM Cc1ccc(NC(=O)CCc2ccc([C@@H]3C[C@@H]3C)o2)cc1C(=O)[O-] ZINC000324835533 971161810 /nfs/dbraw/zinc/16/18/10/971161810.db2.gz VWCOVRPIPPTIBG-SWLSCSKDSA-N -1 0 327.380 3.981 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)CCCCc2ccc(Cl)cc2)C[C@H]1C1CC1 ZINC001602182006 971166623 /nfs/dbraw/zinc/16/66/23/971166623.db2.gz XXVDKIDAAQTSPT-DLBZAZTESA-N -1 0 349.858 3.622 20 0 EHADRM CC(C)c1ccccc1NC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000325136025 971188833 /nfs/dbraw/zinc/18/88/33/971188833.db2.gz RYFYSLQLOOYANY-UHFFFAOYSA-N -1 0 326.396 3.872 20 0 EHADRM COc1ccc(NC(=O)c2cc3cc(C)ccc3o2)c(C(=O)[O-])c1 ZINC000325424220 971214587 /nfs/dbraw/zinc/21/45/87/971214587.db2.gz OXOBMMCPZQCDSA-UHFFFAOYSA-N -1 0 325.320 3.700 20 0 EHADRM CC[C@H](NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000325647694 971234277 /nfs/dbraw/zinc/23/42/77/971234277.db2.gz XZGOSAOVSSYVKM-AWEZNQCLSA-N -1 0 334.322 3.936 20 0 EHADRM COc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c(C(=O)[O-])c1 ZINC000325787646 971243792 /nfs/dbraw/zinc/24/37/92/971243792.db2.gz MYZIPHUKGDVKFU-UHFFFAOYSA-N -1 0 327.380 3.943 20 0 EHADRM COc1ccc(C(=O)[O-])c(OCc2cc(-c3ccc(C)cc3)no2)c1 ZINC000326395463 971289516 /nfs/dbraw/zinc/28/95/16/971289516.db2.gz AQPYNWWTXBFTJQ-UHFFFAOYSA-N -1 0 339.347 3.936 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](c2nc([C@@H]3CSc4ccccc4O3)no2)C1 ZINC000326566826 971303742 /nfs/dbraw/zinc/30/37/42/971303742.db2.gz XQQAQAHNOXAKAX-WZRBSPASSA-N -1 0 346.408 3.654 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc(Oc2ccccc2)cc1)C1CCCC1 ZINC000326577846 971305096 /nfs/dbraw/zinc/30/50/96/971305096.db2.gz COOXHUXBAWQDPM-UHFFFAOYSA-N -1 0 339.391 3.948 20 0 EHADRM Cc1ccc([N+](=O)[O-])c(Oc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000326628712 971310549 /nfs/dbraw/zinc/31/05/49/971310549.db2.gz RNNNGLMACLOCTQ-QPJJXVBHSA-N -1 0 344.279 3.702 20 0 EHADRM CC(C)c1ccc(CNC(=O)NCCc2ccc(C(=O)[O-])cc2)cc1 ZINC000326685350 971317478 /nfs/dbraw/zinc/31/74/78/971317478.db2.gz PIIQCKREGHFALH-UHFFFAOYSA-N -1 0 340.423 3.550 20 0 EHADRM Cc1cc2ncn(CCOc3ccc(/C=C\C(=O)[O-])cc3)c2cc1C ZINC000326779411 971327039 /nfs/dbraw/zinc/32/70/39/971327039.db2.gz NAKWGPDDGBXIQA-YVMONPNESA-N -1 0 336.391 3.830 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cccc(-n3cccc3)c2)c(F)cc1F ZINC000326875721 971338799 /nfs/dbraw/zinc/33/87/99/971338799.db2.gz AHWGQBRUNBGYRL-UHFFFAOYSA-N -1 0 342.301 3.706 20 0 EHADRM Cc1sc2nc(C)nc(N(C)Cc3ccc(C(=O)[O-])cc3)c2c1C ZINC000326877345 971338972 /nfs/dbraw/zinc/33/89/72/971338972.db2.gz WLKJYCUNRBRRSE-UHFFFAOYSA-N -1 0 341.436 3.951 20 0 EHADRM COc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C(=O)[O-] ZINC000326915898 971344379 /nfs/dbraw/zinc/34/43/79/971344379.db2.gz QLKKDYJDHHTPKC-UHFFFAOYSA-N -1 0 339.269 3.665 20 0 EHADRM COc1cc(NC(=O)N2CCC3(CCCC3)CC2)ccc1C(=O)[O-] ZINC000326995978 971354608 /nfs/dbraw/zinc/35/46/08/971354608.db2.gz VKNRQYJUGSCWSQ-UHFFFAOYSA-N -1 0 332.400 3.582 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])ccc2[nH]1 ZINC000326999825 971355381 /nfs/dbraw/zinc/35/53/81/971355381.db2.gz JYWBMFHZIRQXBK-QWHCGFSZSA-N -1 0 343.427 3.690 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Nc1ccc2c(c1)Cc1ccccc1-2)C1CC1 ZINC000327067503 971363380 /nfs/dbraw/zinc/36/33/80/971363380.db2.gz ZMJXUPXJCSJOEK-SFHVURJKSA-N -1 0 336.391 3.633 20 0 EHADRM COc1ccccc1Oc1ccc(NC(=O)C[C@H](C)CC(=O)[O-])cc1 ZINC000327330918 971388644 /nfs/dbraw/zinc/38/86/44/971388644.db2.gz CPEDEDICEBIKQX-ZDUSSCGKSA-N -1 0 343.379 3.927 20 0 EHADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000327417916 971397758 /nfs/dbraw/zinc/39/77/58/971397758.db2.gz ICNOSJYNAWKJIG-LRDDRELGSA-N -1 0 336.391 3.585 20 0 EHADRM CCCc1ccccc1NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000327585472 971409798 /nfs/dbraw/zinc/40/97/98/971409798.db2.gz XMPNRERYWOPCLC-KRWDZBQOSA-N -1 0 338.407 3.855 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000000022950 948764580 /nfs/dbraw/zinc/76/45/80/948764580.db2.gz VADCRRNNCGUQFN-UHFFFAOYSA-N -1 0 338.285 3.725 20 0 EHADRM O=C([O-])c1cccc(NC(=O)COc2c(Cl)cccc2Cl)c1 ZINC000013094729 948775006 /nfs/dbraw/zinc/77/50/06/948775006.db2.gz RMGZIHOZDVRXMD-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM Cc1cc(C)c(NC(=O)COc2ccccc2C(=O)[O-])c(Cl)c1 ZINC000013410015 948779865 /nfs/dbraw/zinc/77/98/65/948779865.db2.gz UTZYRAWUGGQBII-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM CC(C)C[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000033463646 948801813 /nfs/dbraw/zinc/80/18/13/948801813.db2.gz OGXLLZRSQGFJMP-KRWDZBQOSA-N -1 0 327.380 3.708 20 0 EHADRM CC(C)C[C@@H](NC(=O)Nc1ccc(N2CCC(C)CC2)cc1)C(=O)[O-] ZINC000033556677 948803658 /nfs/dbraw/zinc/80/36/58/948803658.db2.gz BTZYNHNAJOPESE-QGZVFWFLSA-N -1 0 347.459 3.544 20 0 EHADRM Cc1oc(CNC(=O)c2sccc2-c2ccccc2)cc1C(=O)[O-] ZINC000336876123 971515204 /nfs/dbraw/zinc/51/52/04/971515204.db2.gz AXWULVDTCFJMLL-UHFFFAOYSA-N -1 0 341.388 3.945 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)c2cc3ccccc3s2)cc1 ZINC000336868706 971515418 /nfs/dbraw/zinc/51/54/18/971515418.db2.gz WBSPJMQPQIIQJA-UHFFFAOYSA-N -1 0 327.361 3.617 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)c1ccccc1C(F)(F)F ZINC000336878914 971516715 /nfs/dbraw/zinc/51/67/15/971516715.db2.gz JTVLEKYVLLYHFP-CQSZACIVSA-N -1 0 343.345 3.859 20 0 EHADRM CCCOc1ccc(CNC(=O)CC2(CC(=O)[O-])CCCC2)cc1 ZINC000340154000 971517156 /nfs/dbraw/zinc/51/71/56/971517156.db2.gz XTJHONPPSOGXME-UHFFFAOYSA-N -1 0 333.428 3.517 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NCc1cnc2c(cnn2C(C)C)c1 ZINC000340699459 971517203 /nfs/dbraw/zinc/51/72/03/971517203.db2.gz SEHPUUPQCRAMEZ-UHFFFAOYSA-N -1 0 338.411 3.939 20 0 EHADRM C[C@H](C(=O)[O-])N1CCCc2c(NC(=O)CC3CCCCC3)cccc21 ZINC000341482821 971517731 /nfs/dbraw/zinc/51/77/31/971517731.db2.gz FUUXSLPDWVZLRB-CQSZACIVSA-N -1 0 344.455 3.821 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NCc1ccc(-n2cncn2)c(C)c1 ZINC000340699651 971517959 /nfs/dbraw/zinc/51/79/59/971517959.db2.gz UBXSRALMUWJRIH-UHFFFAOYSA-N -1 0 336.395 3.503 20 0 EHADRM CCCC[C@H](NC(=O)C1(c2ccc(Cl)cc2)CCCC1)C(=O)[O-] ZINC000345202565 971518528 /nfs/dbraw/zinc/51/85/28/971518528.db2.gz BMSGCIMHGRLIGO-HNNXBMFYSA-N -1 0 337.847 3.911 20 0 EHADRM CCn1cc(C(=O)Nc2cccc(CCC(=O)[O-])c2)c2ccccc21 ZINC000344036143 971518685 /nfs/dbraw/zinc/51/86/85/971518685.db2.gz SEXOPXJMQDAGKH-UHFFFAOYSA-N -1 0 336.391 3.931 20 0 EHADRM CN(Cc1ccc2ccccc2c1)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000345775342 971519710 /nfs/dbraw/zinc/51/97/10/971519710.db2.gz BYCGIBGLLKSFQD-UHFFFAOYSA-N -1 0 349.386 3.575 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1cccc(C(=O)[O-])n1)c1ccc(F)cc1F ZINC000345799230 971519866 /nfs/dbraw/zinc/51/98/66/971519866.db2.gz JUNUNGXWRAQQSO-HNNXBMFYSA-N -1 0 348.349 3.575 20 0 EHADRM COc1ccc(SCCC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000346977590 971520758 /nfs/dbraw/zinc/52/07/58/971520758.db2.gz NSGDOIQUNGDOCQ-UHFFFAOYSA-N -1 0 331.393 3.514 20 0 EHADRM CCCC[C@H](NC(=O)[C@H](C)Sc1ccccc1Cl)C(=O)[O-] ZINC000347256894 971521670 /nfs/dbraw/zinc/52/16/70/971521670.db2.gz HDJIJVTYEODKSE-JQWIXIFHSA-N -1 0 329.849 3.580 20 0 EHADRM CCCC[C@H](NC(=O)[C@H](SCc1ccccc1)C(C)C)C(=O)[O-] ZINC000347260306 971522526 /nfs/dbraw/zinc/52/25/26/971522526.db2.gz MGSSVYLEXNGXPS-JKSUJKDBSA-N -1 0 337.485 3.704 20 0 EHADRM CCCC[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000347274796 971522748 /nfs/dbraw/zinc/52/27/48/971522748.db2.gz ZZETUBIKOXTKGM-KSZLIROESA-N -1 0 325.408 3.703 20 0 EHADRM CC[C@H](NC(=O)Cc1cccc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC000347395549 971525111 /nfs/dbraw/zinc/52/51/11/971525111.db2.gz ZKSFTUGENFZQBJ-INIZCTEOSA-N -1 0 331.799 3.848 20 0 EHADRM COc1ccc(NC(=O)CC2(CC(=O)[O-])CCCC2)cc1OC(C)C ZINC000355114689 971530228 /nfs/dbraw/zinc/53/02/28/971530228.db2.gz ITABOKYYVAZWQF-UHFFFAOYSA-N -1 0 349.427 3.846 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1ccc(C(=O)[O-])cc1F ZINC000358614151 971532416 /nfs/dbraw/zinc/53/24/16/971532416.db2.gz SQEJFLQKEUKYCB-OAHLLOKOSA-N -1 0 345.370 3.869 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001589584656 949031603 /nfs/dbraw/zinc/03/16/03/949031603.db2.gz KNURKJKSTSJURO-QFBILLFUSA-N -1 0 343.448 3.674 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)n1 ZINC000362491246 971535023 /nfs/dbraw/zinc/53/50/23/971535023.db2.gz WVIYNGUXFBBFSG-UHFFFAOYSA-N -1 0 332.315 3.932 20 0 EHADRM C[C@H](C(=O)N1CCC[C@@H](C)[C@@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001602789729 971548202 /nfs/dbraw/zinc/54/82/02/971548202.db2.gz TZVSDBAMQYJADK-UHIISALHSA-N -1 0 343.345 3.521 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)NCc2cc3ccccc3s2)C1 ZINC001589595633 949141757 /nfs/dbraw/zinc/14/17/57/949141757.db2.gz ZKRVMKNNDVMWPJ-SFHVURJKSA-N -1 0 346.452 3.688 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2CCc2ccccc2)CC1 ZINC000373862319 971558890 /nfs/dbraw/zinc/55/88/90/971558890.db2.gz HNJPUMWNITXAJO-GUDVDZBRSA-N -1 0 343.467 3.891 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC2(c3cccc(Cl)c3)CCCC2)nc1 ZINC001595215383 949214318 /nfs/dbraw/zinc/21/43/18/949214318.db2.gz BSXBDEGLJJFZID-UHFFFAOYSA-N -1 0 344.798 3.633 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc([C@@H](F)C(F)(F)F)cc2)nc1 ZINC001595221545 949256050 /nfs/dbraw/zinc/25/60/50/949256050.db2.gz PGPQHGJENCUPDN-GFCCVEGCSA-N -1 0 342.248 3.605 20 0 EHADRM O=C([O-])c1ccc(C(=O)Oc2ccccc2OC(F)(F)F)cc1 ZINC001595224872 949279875 /nfs/dbraw/zinc/27/98/75/949279875.db2.gz DOGKGKRXERBLBF-UHFFFAOYSA-N -1 0 326.226 3.503 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCCSC[C@H]2c2ccccc2)c1 ZINC001595240508 949445486 /nfs/dbraw/zinc/44/54/86/949445486.db2.gz CYLDHDPJNKJQIN-KRWDZBQOSA-N -1 0 341.432 3.705 20 0 EHADRM O=C([O-])c1cccc(C(=O)NCc2c(Cl)oc3ccccc32)c1 ZINC001595241366 949462720 /nfs/dbraw/zinc/46/27/20/949462720.db2.gz VOSLRVKMOIJNSI-UHFFFAOYSA-N -1 0 329.739 3.714 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000193077193 949516778 /nfs/dbraw/zinc/51/67/78/949516778.db2.gz ZZVLHOHZMVHQGF-IERDGZPVSA-N -1 0 339.435 3.647 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N2CC3(CCC3)[C@@H]2c2ccncc2)c1 ZINC001595248613 949528639 /nfs/dbraw/zinc/52/86/39/949528639.db2.gz IUBMPABZWLWWLF-INIZCTEOSA-N -1 0 337.379 3.539 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cnc(CCC(F)(F)F)s2)c1 ZINC001595249229 949536056 /nfs/dbraw/zinc/53/60/56/949536056.db2.gz VJUOFNGSIFJLBL-UHFFFAOYSA-N -1 0 344.314 3.589 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2ccccc2NCc2cccnc2)c1 ZINC001595249329 949539269 /nfs/dbraw/zinc/53/92/69/949539269.db2.gz ZSWOQMJHIJHZRW-UHFFFAOYSA-N -1 0 347.374 3.644 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N2CCCCC[C@H]2C(F)(F)F)c1 ZINC001595249694 949542598 /nfs/dbraw/zinc/54/25/98/949542598.db2.gz LKYQYIAGNBAEAQ-LBPRGKRZSA-N -1 0 330.306 3.724 20 0 EHADRM O=C([O-])c1cccnc1NC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC001595260516 949657534 /nfs/dbraw/zinc/65/75/34/949657534.db2.gz IMRZKZMTPSLGFZ-DLBZAZTESA-N -1 0 332.359 3.675 20 0 EHADRM CCCCCCO[C@@H](C)C(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC001589645634 949731065 /nfs/dbraw/zinc/73/10/65/949731065.db2.gz LMYHUDTYDKTVSL-AWEZNQCLSA-N -1 0 333.428 3.649 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000379208179 971614357 /nfs/dbraw/zinc/61/43/57/971614357.db2.gz MJKWSIMFPJZABJ-SFYZADRCSA-N -1 0 333.171 3.957 20 0 EHADRM CCCCCCOc1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000236663668 949928290 /nfs/dbraw/zinc/92/82/90/949928290.db2.gz OBVIEANIMHVRKN-CVEARBPZSA-N -1 0 333.428 3.629 20 0 EHADRM CCCN(Cc1ccc(F)cc1F)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001589674242 949972865 /nfs/dbraw/zinc/97/28/65/949972865.db2.gz HNZCWCJOQOJNGN-VURMDHGXSA-N -1 0 349.333 3.708 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000237938928 949981694 /nfs/dbraw/zinc/98/16/94/949981694.db2.gz MTHZQFLPFQYZJL-ZDUSSCGKSA-N -1 0 334.803 3.681 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2F)C1 ZINC000237954226 949983442 /nfs/dbraw/zinc/98/34/42/949983442.db2.gz KNMPMTYGUDRULQ-JTQLQIEISA-N -1 0 347.308 3.562 20 0 EHADRM CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000262169130 950079181 /nfs/dbraw/zinc/07/91/81/950079181.db2.gz QJESBJXIHGGWCF-OAHLLOKOSA-N -1 0 341.407 3.591 20 0 EHADRM Cc1oc(-c2ccccc2)nc1C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000262203940 950084324 /nfs/dbraw/zinc/08/43/24/950084324.db2.gz VQUBRGYLBGAZKG-OAHLLOKOSA-N -1 0 342.395 3.510 20 0 EHADRM C[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000262912538 950186053 /nfs/dbraw/zinc/18/60/53/950186053.db2.gz IVNWGDVXEWJPFA-SCVCMEIPSA-N -1 0 344.238 3.666 20 0 EHADRM C[C@@H](C(=O)[O-])c1noc(-c2csc(-c3cccc(Cl)c3)n2)n1 ZINC001602825386 971642537 /nfs/dbraw/zinc/64/25/37/971642537.db2.gz UOXMKMBRGWQVDU-SSDOTTSWSA-N -1 0 335.772 3.702 20 0 EHADRM CCN(C(=O)Nc1ccccc1SC(F)(F)F)[C@H](C)C(=O)[O-] ZINC001589707187 950303571 /nfs/dbraw/zinc/30/35/71/950303571.db2.gz ODRRCIVRNWRWLU-MRVPVSSYSA-N -1 0 336.335 3.625 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)c2cc(Cl)c(Cl)[nH]2)c2ccccc21 ZINC000316604300 950885037 /nfs/dbraw/zinc/88/50/37/950885037.db2.gz IBODYOWUUHIEBG-VIFPVBQESA-N -1 0 339.178 3.540 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)/C=C/c1cc(Cl)cc(Cl)c1 ZINC000317710920 950912803 /nfs/dbraw/zinc/91/28/03/950912803.db2.gz IDUNFWVZKPSBOL-ONEGZZNKSA-N -1 0 337.162 3.739 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Nc1cc(F)cc(Cl)c1 ZINC000318206231 950921334 /nfs/dbraw/zinc/92/13/34/950921334.db2.gz FBKJNNIUUTYSKQ-ZDUSSCGKSA-N -1 0 328.771 3.730 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Nc1cc(F)cc(Cl)c1 ZINC000318206229 950921993 /nfs/dbraw/zinc/92/19/93/950921993.db2.gz FBKJNNIUUTYSKQ-CYBMUJFWSA-N -1 0 328.771 3.730 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(SC(F)(F)F)cc2)nc1 ZINC000320401092 950984743 /nfs/dbraw/zinc/98/47/43/950984743.db2.gz VSDFGJJHSNEVDP-UHFFFAOYSA-N -1 0 342.298 3.644 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)/C=C/c2ccc(Cl)s2)Cc2ccccc21 ZINC000321089970 951010520 /nfs/dbraw/zinc/01/05/20/951010520.db2.gz SXYRJPTWNZWVFR-OWNNVSBGSA-N -1 0 347.823 3.625 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CSCc2cccs2)c2ccccc21 ZINC000322385170 951028035 /nfs/dbraw/zinc/02/80/35/951028035.db2.gz OLLONQLWLSQDIA-CQSZACIVSA-N -1 0 347.461 3.586 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)N[C@H](C2CCC2)C2CCCCC2)C1 ZINC001594988453 951036403 /nfs/dbraw/zinc/03/64/03/951036403.db2.gz HWNKADKNKXXNOY-KSSFIOAISA-N -1 0 336.476 3.632 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)ccc1O ZINC000324598118 951070373 /nfs/dbraw/zinc/07/03/73/951070373.db2.gz KTZCNKBJKUCPTP-UHFFFAOYSA-N -1 0 343.232 3.501 20 0 EHADRM COc1cc(Cl)ccc1C(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC000324758204 951074498 /nfs/dbraw/zinc/07/44/98/951074498.db2.gz UQYHTGHIFUDTPF-UHFFFAOYSA-N -1 0 345.782 3.640 20 0 EHADRM CCCCC1CCC(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])CC1 ZINC000326578805 951101688 /nfs/dbraw/zinc/10/16/88/951101688.db2.gz CXTFMMBNNNHFKB-PVARCSIZSA-N -1 0 347.455 3.501 20 0 EHADRM CCn1nc(CN2CC[C@H](C(=O)[O-])c3ccccc32)c2ccccc21 ZINC000326967682 951107189 /nfs/dbraw/zinc/10/71/89/951107189.db2.gz OVIMZELVWNEGHJ-HNNXBMFYSA-N -1 0 335.407 3.635 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2coc(-c3ccccc3)n2)c1 ZINC000344034995 951132726 /nfs/dbraw/zinc/13/27/26/951132726.db2.gz QMJICSRSXHKHQU-UHFFFAOYSA-N -1 0 336.347 3.611 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)C(F)(F)c1cccc(Cl)c1 ZINC001595008120 951228461 /nfs/dbraw/zinc/22/84/61/951228461.db2.gz DPPKFNRIWGRDAW-ZDUSSCGKSA-N -1 0 345.773 3.678 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)N[C@H](C)c2ccccc2Cl)C1 ZINC000389954352 951364101 /nfs/dbraw/zinc/36/41/01/951364101.db2.gz OEIQYSDFOMBLEU-PXAZEXFGSA-N -1 0 338.835 3.687 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1cccnc1Sc1ccccc1 ZINC001595037886 951414689 /nfs/dbraw/zinc/41/46/89/951414689.db2.gz XOOVMYBDYXRRJQ-UHFFFAOYSA-N -1 0 344.436 3.608 20 0 EHADRM Cc1ccc(NC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1C(F)(F)F ZINC000392284605 951417451 /nfs/dbraw/zinc/41/74/51/951417451.db2.gz WYOVXQXSJZPNLU-CMPLNLGQSA-N -1 0 344.333 3.588 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000397110298 951526962 /nfs/dbraw/zinc/52/69/62/951526962.db2.gz REHQHAODTWMRBA-BDAKNGLRSA-N -1 0 348.296 3.562 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)Nc2ccc(O)c(Cl)c2)c1 ZINC001595064431 951537034 /nfs/dbraw/zinc/53/70/34/951537034.db2.gz TXJYFUBXUPJXPS-UHFFFAOYSA-N -1 0 334.759 3.707 20 0 EHADRM O=C([O-])CN(C(=O)c1cccc(-c2c(F)cccc2F)c1)C1CCC1 ZINC001595068202 951577089 /nfs/dbraw/zinc/57/70/89/951577089.db2.gz DJWVCEGDFNTJJG-UHFFFAOYSA-N -1 0 345.345 3.711 20 0 EHADRM O=C([O-])CNC(=O)Nc1ccc(Sc2ccc(Cl)cc2)cc1 ZINC001595102064 951855443 /nfs/dbraw/zinc/85/54/43/951855443.db2.gz KWEPHXARBSQOCT-UHFFFAOYSA-N -1 0 336.800 3.697 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)NC[C@H](c1ccccc1)C1CC1 ZINC001595135908 952052050 /nfs/dbraw/zinc/05/20/50/952052050.db2.gz GXAFUACSLXIEKZ-QGZVFWFLSA-N -1 0 338.407 3.629 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1Nc1nc2c(cccc2Br)s1 ZINC001595172208 952225617 /nfs/dbraw/zinc/22/56/17/952225617.db2.gz LGRHRJVCYMVBIO-APPZFPTMSA-N -1 0 341.230 3.724 20 0 EHADRM O=C([O-])[C@@H]1CN(c2nc3cc(Cl)cc(Cl)c3o2)C[C@H]1C1CC1 ZINC001595190893 952281431 /nfs/dbraw/zinc/28/14/31/952281431.db2.gz SRFDRRULYWGGSD-VHSXEESVSA-N -1 0 341.194 3.682 20 0 EHADRM O=C([O-])c1c(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)nc2ccccn21 ZINC001595207052 952335643 /nfs/dbraw/zinc/33/56/43/952335643.db2.gz ROHMWGCCFWKPRX-BFHYXJOUSA-N -1 0 341.411 3.578 20 0 EHADRM O=C([O-])c1ccc(Br)c(NC(=O)[C@@H]2CCC[C@H](F)C2)c1 ZINC001595214173 952365103 /nfs/dbraw/zinc/36/51/03/952365103.db2.gz BLGVXLJFWTXSOU-SCZZXKLOSA-N -1 0 344.180 3.614 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1 ZINC001602916549 971872882 /nfs/dbraw/zinc/87/28/82/971872882.db2.gz ATTNRMUSLXQLLT-UHFFFAOYSA-N -1 0 329.352 3.520 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)N(Cc2ccccc2)C2CC2)c1 ZINC000383546890 971875524 /nfs/dbraw/zinc/87/55/24/971875524.db2.gz GDPVAMRMRPOXOF-UHFFFAOYSA-N -1 0 340.379 3.590 20 0 EHADRM CCCN(Cc1ccccc1)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000383717781 971889610 /nfs/dbraw/zinc/88/96/10/971889610.db2.gz JCSWEFJWMHEITG-UHFFFAOYSA-N -1 0 342.395 3.594 20 0 EHADRM CC[C@H](CC(F)(F)F)C(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC000402520644 953354221 /nfs/dbraw/zinc/35/42/21/953354221.db2.gz OCZWOQFKMDCXBG-SNVBAGLBSA-N -1 0 329.318 3.643 20 0 EHADRM CCSCc1ccccc1C(=O)NCc1ccccc1C(=O)[O-] ZINC001593597943 953384632 /nfs/dbraw/zinc/38/46/32/953384632.db2.gz YLGIKJVJUXANML-UHFFFAOYSA-N -1 0 329.421 3.568 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)/C=C\c2ccc(C(C)(C)C)cc2)C1 ZINC001589269429 953402897 /nfs/dbraw/zinc/40/28/97/953402897.db2.gz VGZWDLUZMXEFCI-RBWKAQPHSA-N -1 0 329.440 3.567 20 0 EHADRM CC(C)(CCNC(=O)N1CCC[C@H]1c1ccccc1Cl)C(=O)[O-] ZINC000424396792 953461827 /nfs/dbraw/zinc/46/18/27/953461827.db2.gz IEEFVYHJMSXSJB-AWEZNQCLSA-N -1 0 338.835 3.687 20 0 EHADRM CCC[C@H](NC(=O)NCCC(C)(C)C(=O)[O-])c1ccc(F)cc1F ZINC000424405669 953469986 /nfs/dbraw/zinc/46/99/86/953469986.db2.gz IGSRBHZQOUIXDB-AWEZNQCLSA-N -1 0 342.386 3.606 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)NCCCCOc1ccc(F)cc1 ZINC001594757245 953474531 /nfs/dbraw/zinc/47/45/31/953474531.db2.gz OYBQHTBYRWCFMH-UHFFFAOYSA-N -1 0 346.358 3.505 20 0 EHADRM CCOc1ccc(Oc2ccc(NC(=O)CCC(=O)[O-])cc2)cc1 ZINC000516556292 953542307 /nfs/dbraw/zinc/54/23/07/953542307.db2.gz NSTHQDQVUVDCHC-UHFFFAOYSA-N -1 0 329.352 3.681 20 0 EHADRM O=C([O-])C1(CNC(=O)C2(c3cccc(Cl)c3)CCCC2)CCC1 ZINC000532262505 953562723 /nfs/dbraw/zinc/56/27/23/953562723.db2.gz OPNFDQLYRZGHHA-UHFFFAOYSA-N -1 0 335.831 3.523 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000532611920 953563604 /nfs/dbraw/zinc/56/36/04/953563604.db2.gz LYSSPUXNDONXEH-JTQLQIEISA-N -1 0 344.238 3.543 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)c1 ZINC001594771694 953563585 /nfs/dbraw/zinc/56/35/85/953563585.db2.gz PBDHFFVZAVDWSL-QZTJIDSGSA-N -1 0 338.407 3.520 20 0 EHADRM CSc1ccc(NC(=O)N[C@H](CC(C)C)C(=O)[O-])cc1Cl ZINC000561540242 953589125 /nfs/dbraw/zinc/58/91/25/953589125.db2.gz NYABXZOSOKAIRU-LLVKDONJSA-N -1 0 330.837 3.683 20 0 EHADRM CCc1ccc(-c2csc(NC(=O)[C@@H](C(=O)[O-])C(C)C)n2)s1 ZINC001593633810 953596851 /nfs/dbraw/zinc/59/68/51/953596851.db2.gz PYGIKASAGOHRAZ-LBPRGKRZSA-N -1 0 338.454 3.729 20 0 EHADRM CCSc1cccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000563925315 953601530 /nfs/dbraw/zinc/60/15/30/953601530.db2.gz IVAMTIUBODKOCX-INIZCTEOSA-N -1 0 344.436 3.616 20 0 EHADRM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Nc2ccnc(C(=O)[O-])c2)C1 ZINC001589291557 953605575 /nfs/dbraw/zinc/60/55/75/953605575.db2.gz LFUCHLLHCTXARB-ZBEGNZNMSA-N -1 0 343.358 3.534 20 0 EHADRM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)o1 ZINC001593637212 953615478 /nfs/dbraw/zinc/61/54/78/953615478.db2.gz NPXMRTHLVDRTQX-NYTXWWLZSA-N -1 0 348.443 3.578 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2)cc1 ZINC001593637237 953615681 /nfs/dbraw/zinc/61/56/81/953615681.db2.gz OOOWAYHQAIWHQU-RDTXWAMCSA-N -1 0 325.408 3.603 20 0 EHADRM C[C@@H]1CCN(C(=O)N[C@H](CC2CCC2)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000567807138 953635189 /nfs/dbraw/zinc/63/51/89/953635189.db2.gz YAUHSXSXFJSJAB-FHLIZLRMSA-N -1 0 344.455 3.670 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001589295034 953638766 /nfs/dbraw/zinc/63/87/66/953638766.db2.gz NVHSHLTZKGSNRW-IOASZLSFSA-N -1 0 339.395 3.578 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)N2CCCCC[C@H]2/C=C\c2ccccc2)C1 ZINC001594793342 953699544 /nfs/dbraw/zinc/69/95/44/953699544.db2.gz JIQYBTRNOYYWPL-OGAXSGQXSA-N -1 0 342.439 3.517 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)N(Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC000578893279 953705148 /nfs/dbraw/zinc/70/51/48/953705148.db2.gz CNJQHPXXWFPMNR-LLVKDONJSA-N -1 0 343.345 3.697 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1cccc2c1OC(C)(C)CC2 ZINC001589303598 953714917 /nfs/dbraw/zinc/71/49/17/953714917.db2.gz INVNKNZUINAXGX-TZMCWYRMSA-N -1 0 346.427 3.507 20 0 EHADRM CCn1c(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc2ccccc21 ZINC001593660320 953792382 /nfs/dbraw/zinc/79/23/82/953792382.db2.gz KQXWSYLTUXHNJL-IRXDYDNUSA-N -1 0 348.402 3.704 20 0 EHADRM CC[C@H](NC(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1)c1cccc(Cl)c1 ZINC000626745860 953799062 /nfs/dbraw/zinc/79/90/62/953799062.db2.gz GQNALKBFKSNHDC-CQDKDKBSSA-N -1 0 338.835 3.543 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N[C@@H](C(F)F)C2CCCCC2)c1 ZINC001594809471 953803080 /nfs/dbraw/zinc/80/30/80/953803080.db2.gz YRRNQERKDKRSPY-CYBMUJFWSA-N -1 0 326.343 3.720 20 0 EHADRM O=C([O-])c1cccc(NC(=O)N[C@H]2CCCc3c(F)cccc32)c1 ZINC001594809525 953803688 /nfs/dbraw/zinc/80/36/88/953803688.db2.gz ZDTQFAOQODOXMY-INIZCTEOSA-N -1 0 328.343 3.723 20 0 EHADRM CCn1c2ccc(Cl)cc2nc1NC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001593663254 953811981 /nfs/dbraw/zinc/81/19/81/953811981.db2.gz JOXNGFDEFJDRHV-CQSZACIVSA-N -1 0 349.818 3.539 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC001594811606 953832610 /nfs/dbraw/zinc/83/26/10/953832610.db2.gz DGIHGMWSYWBKKL-AULYBMBSSA-N -1 0 345.786 3.501 20 0 EHADRM CCC(CC)(CNC(=O)CCc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000630151144 953841516 /nfs/dbraw/zinc/84/15/16/953841516.db2.gz ZVOMIFYGPFTELV-UHFFFAOYSA-N -1 0 345.361 3.645 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)c1ccc(C2CCOCC2)cc1)C(=O)[O-] ZINC000630184109 953846768 /nfs/dbraw/zinc/84/67/68/953846768.db2.gz HIZUJRUWPPEQHC-QGZVFWFLSA-N -1 0 347.455 3.590 20 0 EHADRM O=C([O-])c1cncc(NC(=O)N[C@@H]2CCCc3ccc(Cl)cc32)c1 ZINC001594816837 953869322 /nfs/dbraw/zinc/86/93/22/953869322.db2.gz OPTXBAWEWQUGAQ-OAHLLOKOSA-N -1 0 345.786 3.632 20 0 EHADRM C[C@@H]1CCCN(C(=O)/C=C\c2ccc(F)c3ccccc23)[C@@H]1C(=O)[O-] ZINC001589325189 953896461 /nfs/dbraw/zinc/89/64/61/953896461.db2.gz AAKGFBCICVWFMA-FGUZWQGDSA-N -1 0 341.382 3.704 20 0 EHADRM C[C@H](NC(=O)N1CCC(C)(C(=O)[O-])CC1)c1ccc2c(c1)CCCC2 ZINC000646141280 953920723 /nfs/dbraw/zinc/92/07/23/953920723.db2.gz IOQOCTLUVWQWGM-AWEZNQCLSA-N -1 0 344.455 3.523 20 0 EHADRM CN(C(=O)[C@H](C(=O)[O-])C1CCCC1)c1ccc(-c2nccs2)cc1 ZINC001593675727 953923504 /nfs/dbraw/zinc/92/35/04/953923504.db2.gz FBWKOTWBXVUYKW-OAHLLOKOSA-N -1 0 344.436 3.664 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)ccn1 ZINC001594827880 953951354 /nfs/dbraw/zinc/95/13/54/953951354.db2.gz XZTRGMKPEUFSIF-OAHLLOKOSA-N -1 0 345.786 3.706 20 0 EHADRM Cc1ccc(-c2nn(C)cc2CNc2cccc(CCC(=O)[O-])c2)o1 ZINC000647460205 953960086 /nfs/dbraw/zinc/96/00/86/953960086.db2.gz QFDGWEWFCQVQDL-UHFFFAOYSA-N -1 0 339.395 3.618 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2F)C[C@@H]1C(=O)[O-] ZINC001589343254 954029881 /nfs/dbraw/zinc/02/98/81/954029881.db2.gz CBMBHFHXODKFMG-CBAPKCEASA-N -1 0 349.189 3.707 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)CCCc1ccc2ccccc2c1 ZINC000653318771 954143443 /nfs/dbraw/zinc/14/34/43/954143443.db2.gz YTVBPFQDWOGWIJ-RDTXWAMCSA-N -1 0 325.408 3.627 20 0 EHADRM O=C([O-])C1(C(=O)N2CCC(Cc3cccc(F)c3)CC2)CCCCC1 ZINC001594846256 954151209 /nfs/dbraw/zinc/15/12/09/954151209.db2.gz VERACJVAHOVTPI-UHFFFAOYSA-N -1 0 347.430 3.642 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)CCc2ccc(Cl)cc2)c2ccccc21 ZINC000653332579 954162622 /nfs/dbraw/zinc/16/26/22/954162622.db2.gz FOWDBLHKPIMFDL-DLBZAZTESA-N -1 0 343.810 3.702 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2cc3c(s2)CCCC3)c2ccccc21 ZINC000653334112 954165518 /nfs/dbraw/zinc/16/55/18/954165518.db2.gz XTLDRLBUVIBVCQ-HUUCEWRRSA-N -1 0 341.432 3.670 20 0 EHADRM O=C([O-])C1(C(=O)N2CCC[C@@H](CCCc3ccccc3)C2)CCC1 ZINC001594850017 954173742 /nfs/dbraw/zinc/17/37/42/954173742.db2.gz DOZCCRULWQEGDI-QGZVFWFLSA-N -1 0 329.440 3.503 20 0 EHADRM CCCn1ccc2cc(NC(=O)NC[C@H](C(=O)[O-])C(C)C)ccc21 ZINC000653537656 954185689 /nfs/dbraw/zinc/18/56/89/954185689.db2.gz BFNSOCRCVXFWCF-HNNXBMFYSA-N -1 0 331.416 3.530 20 0 EHADRM CC(C)[C@H](CNC(=O)C[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000655568734 954207473 /nfs/dbraw/zinc/20/74/73/954207473.db2.gz RATDYSYUFZEUQU-YPMHNXCESA-N -1 0 345.361 3.672 20 0 EHADRM O=C([O-])C1(C(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)CCCCC1 ZINC001594854886 954219051 /nfs/dbraw/zinc/21/90/51/954219051.db2.gz WAZYJJPJCSJPKY-ZBFHGGJFSA-N -1 0 333.403 3.613 20 0 EHADRM CSCC1CCC(NC(=O)Nc2cc(C(=O)[O-])ccc2F)CC1 ZINC000385362000 971997297 /nfs/dbraw/zinc/99/72/97/971997297.db2.gz IHLBPYLTSFRVHQ-UHFFFAOYSA-N -1 0 340.420 3.567 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccc3c(c2)C=CCCC3)C[C@@H]1C(=O)[O-] ZINC000656605310 954304733 /nfs/dbraw/zinc/30/47/33/954304733.db2.gz RUCGCRUBHGUTEZ-GUYCJALGSA-N -1 0 328.412 3.611 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)C1CC2(C1)CCCCC2 ZINC000659128350 954309494 /nfs/dbraw/zinc/30/94/94/954309494.db2.gz MHSDOIDUMIXDCN-KRWDZBQOSA-N -1 0 327.424 3.558 20 0 EHADRM CCCc1sc(C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)cc1CC ZINC000659200361 954313449 /nfs/dbraw/zinc/31/34/49/954313449.db2.gz MYUCLAWLUOYWKZ-UHFFFAOYSA-N -1 0 349.456 3.532 20 0 EHADRM O=C([O-])[C@]1(C(=O)N[C@@H]2CCCc3ccc(Cl)cc32)CC=CCC1 ZINC001594868643 954325107 /nfs/dbraw/zinc/32/51/07/954325107.db2.gz AARHWCZAPPSKTI-CRAIPNDOSA-N -1 0 333.815 3.645 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2cc(Cl)cc3cccnc32)CC=CCC1 ZINC001594869558 954338793 /nfs/dbraw/zinc/33/87/93/954338793.db2.gz ZFSABWWRHYPUGD-QGZVFWFLSA-N -1 0 330.771 3.638 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2ccc(Cl)c3ccncc23)CC=CCC1 ZINC001594870149 954345030 /nfs/dbraw/zinc/34/50/30/954345030.db2.gz WJWIRXHNDVXYPC-QGZVFWFLSA-N -1 0 330.771 3.638 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(CNc3ccccc3)cc2)CC=CC1 ZINC001594870166 954345761 /nfs/dbraw/zinc/34/57/61/954345761.db2.gz XKRWIRGPCYHGES-UHFFFAOYSA-N -1 0 336.391 3.658 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc3cc(Cl)ccc3s2)C1 ZINC000659764817 954365351 /nfs/dbraw/zinc/36/53/51/954365351.db2.gz NPKJJJWCTXZYKX-KOLCDFICSA-N -1 0 337.828 3.738 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2cccc(Oc3ccncc3)c2)CC=CCC1 ZINC001594877360 954387004 /nfs/dbraw/zinc/38/70/04/954387004.db2.gz GIVVFQCOGHONRV-LJQANCHMSA-N -1 0 338.363 3.624 20 0 EHADRM CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC000663037107 954411139 /nfs/dbraw/zinc/41/11/39/954411139.db2.gz UKMUDFIGRSAZSN-WFASDCNBSA-N -1 0 345.443 3.541 20 0 EHADRM O=C([O-])C1(c2noc(C3(Cc4ccc(Cl)cc4)CC3)n2)CCC1 ZINC001594887056 954473923 /nfs/dbraw/zinc/47/39/23/954473923.db2.gz JKOOTDLFPGCSGG-UHFFFAOYSA-N -1 0 332.787 3.504 20 0 EHADRM O=C([O-])C1(c2noc(-c3ccc4[nH]c5c(c4c3)CCCC5)n2)CCC1 ZINC001594887059 954474279 /nfs/dbraw/zinc/47/42/79/954474279.db2.gz JLMYYGBCZBMGQF-UHFFFAOYSA-N -1 0 337.379 3.603 20 0 EHADRM CN(Cc1ccccc1C(F)(F)F)C(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001593760594 954483773 /nfs/dbraw/zinc/48/37/73/954483773.db2.gz DOEHAVSMDHOEDR-CQSZACIVSA-N -1 0 343.345 3.555 20 0 EHADRM C[C@@H]1Cc2c(C(=O)[O-])c(NC(=O)CCc3ccco3)sc2[C@@H](C)O1 ZINC001589411567 954518920 /nfs/dbraw/zinc/51/89/20/954518920.db2.gz QPDXPNSPUOKNOC-NXEZZACHSA-N -1 0 349.408 3.633 20 0 EHADRM O=C([O-])CCCCNC(=O)N(Cc1ccccc1Cl)CC1CC1 ZINC000666559444 954558665 /nfs/dbraw/zinc/55/86/65/954558665.db2.gz VOJNXNOZOFTLGJ-UHFFFAOYSA-N -1 0 338.835 3.517 20 0 EHADRM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001602992581 972023116 /nfs/dbraw/zinc/02/31/16/972023116.db2.gz KPRPPEMQBASORC-QWPQOLDESA-N -1 0 345.370 3.514 20 0 EHADRM CC1(C)Cc2cc(NC(=O)Nc3cccc(CC(=O)[O-])c3)ccc2O1 ZINC000669501118 954577089 /nfs/dbraw/zinc/57/70/89/954577089.db2.gz KRPLOORGODGCTN-UHFFFAOYSA-N -1 0 340.379 3.671 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)C(=O)C[C@H](Cc1ccccc1)c1ccccc1 ZINC001589434007 954677358 /nfs/dbraw/zinc/67/73/58/954677358.db2.gz VLWTZOBCEROWHX-RBUKOAKNSA-N -1 0 339.435 3.725 20 0 EHADRM CCC(C)(C)c1ccc(COC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)cc1 ZINC001589451519 954802876 /nfs/dbraw/zinc/80/28/76/954802876.db2.gz GUBMSFSJNBTMMX-RDJZCZTQSA-N -1 0 348.439 3.687 20 0 EHADRM CCC(C)(C)c1ccc(CNC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1 ZINC001589452570 954813360 /nfs/dbraw/zinc/81/33/60/954813360.db2.gz XCEXYTGFSSSUBE-GOEBONIOSA-N -1 0 346.471 3.626 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2ccc(C(F)F)cc2)CCCCC1 ZINC000386385486 972049243 /nfs/dbraw/zinc/04/92/43/972049243.db2.gz FAZUQNPTDUIYHC-UHFFFAOYSA-N -1 0 326.343 3.781 20 0 EHADRM O=C([O-])[C@@H]1CCNc2ccc(-c3cccc(Cn4ccnc4)c3)cc21 ZINC001594940679 954884397 /nfs/dbraw/zinc/88/43/97/954884397.db2.gz MGXQJCNSIBWHTJ-QGZVFWFLSA-N -1 0 333.391 3.582 20 0 EHADRM CC(C)[C@H]1N(C(=O)c2ccc(OCC(=O)[O-])cc2)CC12CCCCC2 ZINC001603002828 972050279 /nfs/dbraw/zinc/05/02/79/972050279.db2.gz MZMSTHGHHNBYTQ-GOSISDBHSA-N -1 0 345.439 3.581 20 0 EHADRM CCC(CC)(C(=O)N(CC(=O)[O-])CC1CC1)c1ccc(Cl)cc1 ZINC001589467819 954915323 /nfs/dbraw/zinc/91/53/23/954915323.db2.gz WJOUCNTYTJXVTA-UHFFFAOYSA-N -1 0 337.847 3.721 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)co1 ZINC001594965184 955044522 /nfs/dbraw/zinc/04/45/22/955044522.db2.gz DHSTXMBJMGHFIP-GFUIURDCSA-N -1 0 345.782 3.661 20 0 EHADRM CC[C@@H](CNC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC001589524818 955101149 /nfs/dbraw/zinc/10/11/49/955101149.db2.gz VHONURQGUUNRAR-SWTNXBIASA-N -1 0 349.736 3.599 20 0 EHADRM CC[C@@H](CNC(=O)N[C@H](C)c1sc2ccccc2c1C)C(=O)[O-] ZINC001589539537 955190686 /nfs/dbraw/zinc/19/06/86/955190686.db2.gz WAZQEOUEEQEQGU-NEPJUHHUSA-N -1 0 334.441 3.681 20 0 EHADRM CC(C)(CCNc1nc(-c2cccnc2)nc2ccccc21)C(=O)[O-] ZINC000818618055 955404394 /nfs/dbraw/zinc/40/43/94/955404394.db2.gz JOMDSVMQWJXFOV-UHFFFAOYSA-N -1 0 336.395 3.605 20 0 EHADRM CC(C)C[C@H](CNC(=O)NCC[C@H]1CCCC1(C)C)CC(=O)[O-] ZINC001603041506 972101528 /nfs/dbraw/zinc/10/15/28/972101528.db2.gz APACDSBERWNTQN-LSDHHAIUSA-N -1 0 326.481 3.639 20 0 EHADRM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000833616818 955557614 /nfs/dbraw/zinc/55/76/14/955557614.db2.gz HTKZJGMQVROBDI-SCLBCKFNSA-N -1 0 338.407 3.508 20 0 EHADRM C/C(=C\C(=O)NCCC(C)(C)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000836750087 955562671 /nfs/dbraw/zinc/56/26/71/955562671.db2.gz WSKHRYRDBVBIDB-ZHACJKMWSA-N -1 0 343.345 3.726 20 0 EHADRM C[C@](CNC(=O)NCCCCC1CCCC1)(C(=O)[O-])c1ccccc1 ZINC001589054220 955683656 /nfs/dbraw/zinc/68/36/56/955683656.db2.gz SEUIHWVUEQMWQM-HXUWFJFHSA-N -1 0 346.471 3.689 20 0 EHADRM CC(C)Cc1ccc(C(=O)Nc2nc3ccccn3c2C(=O)[O-])s1 ZINC001603054024 972118038 /nfs/dbraw/zinc/11/80/38/972118038.db2.gz HVDLNEHSDTZTSY-UHFFFAOYSA-N -1 0 343.408 3.545 20 0 EHADRM CCN(c1ccc(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)cc1)C(C)C ZINC000846708975 955714219 /nfs/dbraw/zinc/71/42/19/955714219.db2.gz PQHVESTZSYDDSO-IBGZPJMESA-N -1 0 330.428 3.671 20 0 EHADRM CC(C)Cc1ccc(NC(=O)c2cccc(OCC(=O)[O-])c2)cc1 ZINC001603054524 972122093 /nfs/dbraw/zinc/12/20/93/972122093.db2.gz YDLVWOJQJFGTJV-UHFFFAOYSA-N -1 0 327.380 3.601 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)NCCCCCCc2ccccc2)CC1 ZINC000861467650 955917825 /nfs/dbraw/zinc/91/78/25/955917825.db2.gz IQMPLMCAPROODG-UHFFFAOYSA-N -1 0 346.471 3.686 20 0 EHADRM Cc1ccc([C@H](NC(=O)/C=C/c2ccc(C(=O)[O-])o2)C2CC2)cc1 ZINC000864101731 955932918 /nfs/dbraw/zinc/93/29/18/955932918.db2.gz MORZQSXKAJLBEK-CKDFRHGISA-N -1 0 325.364 3.567 20 0 EHADRM C[C@@](NC(=O)CCc1ccc(Cl)c(F)c1)(C(=O)[O-])c1ccccc1 ZINC001589095225 955980869 /nfs/dbraw/zinc/98/08/69/955980869.db2.gz XDCCWLSLNQAAHL-SFHVURJKSA-N -1 0 349.789 3.528 20 0 EHADRM C[C@H](NC(=O)N1CC(C)(C)[C@H]1c1ccco1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589101519 956000880 /nfs/dbraw/zinc/00/08/80/956000880.db2.gz KSRXZIFPXHMYEO-RMRHIDDWSA-N -1 0 348.443 3.508 20 0 EHADRM C[C@H](NC(=O)c1coc(C2CCCCC2)n1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589120195 956112104 /nfs/dbraw/zinc/11/21/04/956112104.db2.gz HIBSEYCDXMJMSL-FPMFFAJLSA-N -1 0 348.443 3.588 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC000874409595 956181862 /nfs/dbraw/zinc/18/18/62/956181862.db2.gz RSZRJBYUVFJGJR-QGZVFWFLSA-N -1 0 342.370 3.571 20 0 EHADRM CC(C)(CCNc1nc(C(F)F)nc2ccc(F)cc21)C(=O)[O-] ZINC000900961882 956299387 /nfs/dbraw/zinc/29/93/87/956299387.db2.gz LMFIBUZCJKSJSD-UHFFFAOYSA-N -1 0 327.306 3.619 20 0 EHADRM O=C([O-])CC1(Nc2nc(C(F)F)nc3ccc(F)cc32)CCC1 ZINC000900960780 956299631 /nfs/dbraw/zinc/29/96/31/956299631.db2.gz DUOYPQSSPDUVBX-UHFFFAOYSA-N -1 0 325.290 3.516 20 0 EHADRM CC(C)c1cnc(NC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)s1 ZINC001603105762 972178598 /nfs/dbraw/zinc/17/85/98/972178598.db2.gz LASWBXAVYRNNOX-QWHCGFSZSA-N -1 0 345.424 3.701 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCc1ccc(F)c2ccccc12 ZINC000901655007 956405670 /nfs/dbraw/zinc/40/56/70/956405670.db2.gz JUOIXTUXPYLBQP-DZGCQCFKSA-N -1 0 343.398 3.623 20 0 EHADRM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001589175148 956492091 /nfs/dbraw/zinc/49/20/91/956492091.db2.gz OZTPILMRILIGDX-JTQLQIEISA-N -1 0 333.775 3.658 20 0 EHADRM C[C@@H](c1ccccc1)N(C(=O)Nc1cc(C(=O)[O-])ccn1)C1CC1 ZINC001589177447 956513264 /nfs/dbraw/zinc/51/32/64/956513264.db2.gz SDIXGYWFRWTRAC-LBPRGKRZSA-N -1 0 325.368 3.537 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)CCSc1ccccc1Cl ZINC000388765420 972190897 /nfs/dbraw/zinc/19/08/97/972190897.db2.gz KZYHMFPODDJGDL-CYBMUJFWSA-N -1 0 343.876 3.828 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)N2CC3(CCC3)c3c2cccc3F)co1 ZINC000901983187 956588247 /nfs/dbraw/zinc/58/82/47/956588247.db2.gz BOBLQCHBGTZBHF-WAYWQWQTSA-N -1 0 341.338 3.599 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N[C@H](CC2CC2)c2ccccc2)o1 ZINC001594670002 956610948 /nfs/dbraw/zinc/61/09/48/956610948.db2.gz KPJVKRKVQAOQSS-HGPCXVNDSA-N -1 0 325.364 3.649 20 0 EHADRM O=C([O-])[C@@H](NC(=O)/C=C\c1ccccc1C(F)(F)F)c1ccccc1 ZINC001594674480 956647338 /nfs/dbraw/zinc/64/73/38/956647338.db2.gz HFLHDHKKPIGYTL-SNGWPZLWSA-N -1 0 349.308 3.661 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)C[C@@H]2CCC3(CCC3)O2)c1Cl ZINC001594678322 956677816 /nfs/dbraw/zinc/67/78/16/956677816.db2.gz LVXGLXXZGMCIHZ-VIFPVBQESA-N -1 0 341.766 3.608 20 0 EHADRM C[C@H]1CN(C(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)CC[C@H]1C(=O)[O-] ZINC000902182040 956679313 /nfs/dbraw/zinc/67/93/13/956679313.db2.gz WKTXNKGNYKXBRY-DZOHQFGASA-N -1 0 329.440 3.530 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1ccc(SC(F)(F)F)cc1 ZINC001589217111 956730726 /nfs/dbraw/zinc/73/07/26/956730726.db2.gz DLNDLNPWYLBZNH-CYBMUJFWSA-N -1 0 333.331 3.738 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1cc(Cl)ccc1Br ZINC001589219236 956752823 /nfs/dbraw/zinc/75/28/23/956752823.db2.gz KBLKJEODMOCJEH-CYBMUJFWSA-N -1 0 346.608 3.542 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Oc1ccc(OCc2ccccc2)cc1 ZINC001589219438 956756695 /nfs/dbraw/zinc/75/66/95/956756695.db2.gz BYWWRVJBWJOKGP-HXUWFJFHSA-N -1 0 340.375 3.672 20 0 EHADRM CC1(C)CCC[C@H](NC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)C1 ZINC001589223528 956779362 /nfs/dbraw/zinc/77/93/62/956779362.db2.gz AOLNCLVCNCPFCM-MAZHCROVSA-N -1 0 330.428 3.568 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)CCS1 ZINC001589229373 956813970 /nfs/dbraw/zinc/81/39/70/956813970.db2.gz DOVNBQKETRRCQK-UHFFFAOYSA-N -1 0 346.811 3.537 20 0 EHADRM O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)CCc2ccccc2)C1 ZINC000902831072 956820804 /nfs/dbraw/zinc/82/08/04/956820804.db2.gz VLTHMEWQZDTTGM-QGZVFWFLSA-N -1 0 337.419 3.690 20 0 EHADRM C[C@@H]1CC(=O)N(C)c2ccc(NCc3ccc(C(=O)[O-])s3)cc21 ZINC000903692500 956872471 /nfs/dbraw/zinc/87/24/71/956872471.db2.gz LSKRXIKPXLGJRK-SNVBAGLBSA-N -1 0 330.409 3.528 20 0 EHADRM COc1ccc(OCc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC000011948026 956899243 /nfs/dbraw/zinc/89/92/43/956899243.db2.gz UGHVCHUKWKMCQG-UHFFFAOYSA-N -1 0 337.169 3.735 20 0 EHADRM COc1ccc(Cl)cc1COc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000013054729 956919491 /nfs/dbraw/zinc/91/94/91/956919491.db2.gz JPWOEGPCKCZFBO-UHFFFAOYSA-N -1 0 337.715 3.534 20 0 EHADRM CC[C@H](C)c1ccc(OS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000013067498 956923494 /nfs/dbraw/zinc/92/34/94/956923494.db2.gz OKISBRQMXQXCDZ-LBPRGKRZSA-N -1 0 334.393 3.666 20 0 EHADRM Cc1ccc(C(C)C)c(OS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000013075387 956928440 /nfs/dbraw/zinc/92/84/40/956928440.db2.gz VJPZLVTYVOZFTK-UHFFFAOYSA-N -1 0 348.420 3.893 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)COc1ccc(C(=O)[O-])cc1 ZINC000013079872 956930771 /nfs/dbraw/zinc/93/07/71/956930771.db2.gz SGCYSENZVFXJRM-UHFFFAOYSA-N -1 0 327.380 3.700 20 0 EHADRM Cc1ccc(OCC(=O)N(c2ccccc2)C(C)C)c(C(=O)[O-])c1 ZINC000013085569 956937266 /nfs/dbraw/zinc/93/72/66/956937266.db2.gz JSQJQHBMGXTMBF-UHFFFAOYSA-N -1 0 327.380 3.514 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000013169803 956952874 /nfs/dbraw/zinc/95/28/74/956952874.db2.gz ZVPHWTHUNWAGRY-UHFFFAOYSA-N -1 0 327.380 3.799 20 0 EHADRM Cc1cccc(OCC(=O)Nc2cc3ccccc3cc2C(=O)[O-])c1 ZINC000013171522 956954716 /nfs/dbraw/zinc/95/47/16/956954716.db2.gz QDFZZIFCIPUOJK-UHFFFAOYSA-N -1 0 335.359 3.864 20 0 EHADRM CCOc1ccc(CC(=O)Nc2ccc(Cl)cc2C(=O)[O-])cc1 ZINC000013187638 956972860 /nfs/dbraw/zinc/97/28/60/956972860.db2.gz PDEXNVILGYTWBS-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM O=C([O-])c1cccc(NC(=O)C[C@@H](c2ccc(O)cc2)C2CC2)c1 ZINC000909083723 957003131 /nfs/dbraw/zinc/00/31/31/957003131.db2.gz OHOOXLXTSNNVTB-QGZVFWFLSA-N -1 0 325.364 3.613 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)c2cc(O)c3ccccc3c2)c2ccccc21 ZINC001594726799 957012326 /nfs/dbraw/zinc/01/23/26/957012326.db2.gz OKMLLSKITFEZAQ-ROUUACIJSA-N -1 0 347.370 3.588 20 0 EHADRM Cc1cc(OS(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1C(C)C ZINC000013305935 957012815 /nfs/dbraw/zinc/01/28/15/957012815.db2.gz VMRMIQDHGUNJRV-UHFFFAOYSA-N -1 0 340.422 3.646 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)c2ccccc2-n2cccc2)c2ccccc21 ZINC001594728108 957022142 /nfs/dbraw/zinc/02/21/42/957022142.db2.gz WTPWQIXPUMFWDH-ROUUACIJSA-N -1 0 346.386 3.520 20 0 EHADRM Cc1cccc(CSCC(=O)Nc2ccc(C(=O)[O-])cc2C)c1 ZINC000013390805 957046422 /nfs/dbraw/zinc/04/64/22/957046422.db2.gz BTWPVFYLUAXCRR-UHFFFAOYSA-N -1 0 329.421 3.874 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(SCc3ccccc3)cn2)CCC1 ZINC000910649173 957048647 /nfs/dbraw/zinc/04/86/47/957048647.db2.gz QSYVSFNNZALPHE-UHFFFAOYSA-N -1 0 342.420 3.567 20 0 EHADRM COc1ccc(CNC(=O)c2ccc(CC(C)C)cc2)cc1C(=O)[O-] ZINC000013393064 957049165 /nfs/dbraw/zinc/04/91/65/957049165.db2.gz SWWUGWNSMSOTJB-UHFFFAOYSA-N -1 0 341.407 3.522 20 0 EHADRM CC(C)c1c(NC(=O)CCCCC(=O)[O-])cnn1-c1ccccc1 ZINC000910654838 957049489 /nfs/dbraw/zinc/04/94/89/957049489.db2.gz CJMQRTNFKGCRHB-UHFFFAOYSA-N -1 0 329.400 3.579 20 0 EHADRM O=C([O-])c1ccoc1CSc1nncn1-c1cccc(Cl)c1 ZINC000013398107 957050707 /nfs/dbraw/zinc/05/07/07/957050707.db2.gz BOSTXFPXKDUHOM-UHFFFAOYSA-N -1 0 335.772 3.504 20 0 EHADRM Cc1nc2cc(F)ccc2cc1C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000013441864 957082562 /nfs/dbraw/zinc/08/25/62/957082562.db2.gz OLPNGJDWMVPDOR-UHFFFAOYSA-N -1 0 338.338 3.657 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N2CCc3cc(C(=O)[O-])ccc32)c1 ZINC000013448958 957087677 /nfs/dbraw/zinc/08/76/77/957087677.db2.gz HJHHTEPAOZEGSP-UHFFFAOYSA-N -1 0 347.823 3.963 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)COc1ccc2ccccc2c1 ZINC000013449345 957088040 /nfs/dbraw/zinc/08/80/40/957088040.db2.gz PAHXRLDMZBWXKS-UHFFFAOYSA-N -1 0 347.370 3.506 20 0 EHADRM Cc1ccc(OCC(=O)Nc2cccc(C(C)C)c2)c(C(=O)[O-])c1 ZINC000013456760 957090632 /nfs/dbraw/zinc/09/06/32/957090632.db2.gz BJUPMUYVUMBIKB-UHFFFAOYSA-N -1 0 327.380 3.834 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000036976903 957253799 /nfs/dbraw/zinc/25/37/99/957253799.db2.gz WTTXYBXXAAUUSF-UHFFFAOYSA-N -1 0 346.191 3.771 20 0 EHADRM Cc1cc(NC(=O)c2cnc(Cl)c(Cl)c2)sc1C(=O)[O-] ZINC000037448768 957290292 /nfs/dbraw/zinc/29/02/92/957290292.db2.gz CHGMFJLODCGCAT-UHFFFAOYSA-N -1 0 331.180 3.709 20 0 EHADRM CC(C)(C)c1ccc(C2(C(=O)NCCC(C)(C)C(=O)[O-])CC2)cc1 ZINC001328149569 957673940 /nfs/dbraw/zinc/67/39/40/957673940.db2.gz OBBYGBNQUYXLMI-UHFFFAOYSA-N -1 0 331.456 3.633 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N1CCc2cc(Cl)ccc21 ZINC001574738836 957682572 /nfs/dbraw/zinc/68/25/72/957682572.db2.gz YMGXJJGMXNLRCF-UHFFFAOYSA-N -1 0 330.771 3.562 20 0 EHADRM Cc1cc(C(=O)N(CC(=O)[O-])C2CCC2)c(C)n1C1CCCCC1 ZINC001594274444 957709091 /nfs/dbraw/zinc/70/90/91/957709091.db2.gz LOSIVLMBUDSDRO-UHFFFAOYSA-N -1 0 332.444 3.689 20 0 EHADRM CCOc1ccc(CC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000075283278 957742567 /nfs/dbraw/zinc/74/25/67/957742567.db2.gz CFWLSLFFQSYGQT-UHFFFAOYSA-N -1 0 333.771 3.618 20 0 EHADRM O=C([O-])COc1ccc(/C=C/C(=O)c2cccc(OC(F)F)c2)cc1 ZINC000078280856 957753385 /nfs/dbraw/zinc/75/33/85/957753385.db2.gz GBODLWWTGZYGQQ-RMKNXTFCSA-N -1 0 348.301 3.648 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2C[C@H](c3ccccc3)c3ccccc32)nc1 ZINC001574790982 957808915 /nfs/dbraw/zinc/80/89/15/957808915.db2.gz ATEYHCWWYGHMPK-QGZVFWFLSA-N -1 0 344.370 3.572 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2ccc(Oc3cnccn3)cc2)c1 ZINC001594289314 957811137 /nfs/dbraw/zinc/81/11/37/957811137.db2.gz VMCIXASQIOYTLR-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)O[C@H](C)c2ccc3c(c2)CCO3)c1 ZINC001594289404 957813024 /nfs/dbraw/zinc/81/30/24/957813024.db2.gz SIWJQNZPXYHYAX-GFCCVEGCSA-N -1 0 326.348 3.546 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N2CCCCC[C@H]2C(=O)[O-])c1 ZINC000083882931 957838348 /nfs/dbraw/zinc/83/83/48/957838348.db2.gz UQLFTUAVUQLEGS-ZDUSSCGKSA-N -1 0 327.833 3.531 20 0 EHADRM Cc1c(NC(=O)c2nc(C(C)C)ncc2Cl)cccc1C(=O)[O-] ZINC000390626678 972296266 /nfs/dbraw/zinc/29/62/66/972296266.db2.gz DGMNWNBQAMZNEO-UHFFFAOYSA-N -1 0 333.775 3.512 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(OC(F)F)cc2F)c(F)c1 ZINC001574805493 957857514 /nfs/dbraw/zinc/85/75/14/957857514.db2.gz YVYXYWKIYANHMS-UHFFFAOYSA-N -1 0 343.232 3.517 20 0 EHADRM CC1CCC(N(C)C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC000390842843 972304293 /nfs/dbraw/zinc/30/42/93/972304293.db2.gz DBTHYMZXHOLXIV-UHFFFAOYSA-N -1 0 326.343 3.705 20 0 EHADRM COc1c(F)cc(NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1F ZINC001594048865 957958852 /nfs/dbraw/zinc/95/88/52/957958852.db2.gz WATSVFPVIOOMIH-UHFFFAOYSA-N -1 0 336.294 3.624 20 0 EHADRM C[C@H](NC(=O)N1CCCC[C@@H]1CCC(=O)[O-])[C@@H](C)c1ccccc1 ZINC001343038812 958020284 /nfs/dbraw/zinc/02/02/84/958020284.db2.gz USGCIVIAJLLHLG-HLLBOEOZSA-N -1 0 332.444 3.608 20 0 EHADRM COc1cc(C)ccc1NCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001594057912 958055062 /nfs/dbraw/zinc/05/50/62/958055062.db2.gz RNCGMUMWNRCDBO-CQSZACIVSA-N -1 0 344.411 3.510 20 0 EHADRM COc1cc(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)cc2ccccc21 ZINC001594061718 958095655 /nfs/dbraw/zinc/09/56/55/958095655.db2.gz DTZUOHAMSGGPAN-KRWDZBQOSA-N -1 0 327.380 3.678 20 0 EHADRM Cc1cc(NC(=O)NCC[C@@H]2CCCC2(F)F)ccc1C(=O)[O-] ZINC001594318614 958100400 /nfs/dbraw/zinc/10/04/00/958100400.db2.gz LEUZAEDIYARUAS-NSHDSACASA-N -1 0 326.343 3.640 20 0 EHADRM COc1cc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)cc(OC)c1Cl ZINC001594065578 958129037 /nfs/dbraw/zinc/12/90/37/958129037.db2.gz LAFXMQQBMPPOED-UHFFFAOYSA-N -1 0 349.770 3.616 20 0 EHADRM CCC(CC)(CC)CNC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000391179810 972322149 /nfs/dbraw/zinc/32/21/49/972322149.db2.gz JAXATRARVKIOLZ-UHFFFAOYSA-N -1 0 332.444 3.669 20 0 EHADRM COc1cc(SC)ccc1NC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001594067632 958151987 /nfs/dbraw/zinc/15/19/87/958151987.db2.gz IRYLGKVWSQOXGP-UHFFFAOYSA-N -1 0 331.393 3.676 20 0 EHADRM Cc1cc(Nc2cc(Cl)nc([C@H]3CCCO3)n2)ccc1C(=O)[O-] ZINC001594325276 958162127 /nfs/dbraw/zinc/16/21/27/958162127.db2.gz MKYDJTCZRXDXHJ-GFCCVEGCSA-N -1 0 333.775 3.732 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc3c(o2)c(F)ccc3C)C1 ZINC001355043482 958171907 /nfs/dbraw/zinc/17/19/07/958171907.db2.gz QFQARCQVIOEJNX-GOSISDBHSA-N -1 0 333.359 3.597 20 0 EHADRM Cc1cc2scc(CC(=O)Nc3cncc(C(=O)[O-])c3)c2s1 ZINC001594333623 958246198 /nfs/dbraw/zinc/24/61/98/958246198.db2.gz ZWIGBXPKALVRRV-UHFFFAOYSA-N -1 0 332.406 3.546 20 0 EHADRM Cc1ccc(-c2cc(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)on2)cc1 ZINC001594334426 958253504 /nfs/dbraw/zinc/25/35/04/958253504.db2.gz VDSKJAMOQMPZPW-AWEZNQCLSA-N -1 0 344.411 3.517 20 0 EHADRM Cc1ccc(-c2ccccc2NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)s1 ZINC001594334554 958255381 /nfs/dbraw/zinc/25/53/81/958255381.db2.gz ZWVFAMFBJJVFES-TXEJJXNPSA-N -1 0 330.409 3.708 20 0 EHADRM COc1ccc(C)cc1[C@@H](C)NC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001594082469 958275762 /nfs/dbraw/zinc/27/57/62/958275762.db2.gz AZBXBZPFZTWQFU-CQSZACIVSA-N -1 0 333.428 3.606 20 0 EHADRM COc1ccc(C)c2c1N(CCOc1ccccc1C(=O)[O-])CCC2 ZINC001594084113 958298290 /nfs/dbraw/zinc/29/82/90/958298290.db2.gz ZTFOXKXRYSOWSC-UHFFFAOYSA-N -1 0 341.407 3.533 20 0 EHADRM Cc1ccc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])c(F)c1Cl ZINC001594344161 958315454 /nfs/dbraw/zinc/31/54/54/958315454.db2.gz KZJKRWRCHGUVBC-MRXNPFEDSA-N -1 0 347.773 3.612 20 0 EHADRM Cc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])C[C@@H](C)O[C@H]3C)o1 ZINC001594347769 958331451 /nfs/dbraw/zinc/33/14/51/958331451.db2.gz UEBPCTVBBSJZEB-BDAKNGLRSA-N -1 0 335.381 3.622 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC001594350150 958343425 /nfs/dbraw/zinc/34/34/25/958343425.db2.gz TVTNLXJNYMRGPP-NVXWUHKLSA-N -1 0 347.455 3.742 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(C(=O)[O-])cn2)c1 ZINC001594350159 958344263 /nfs/dbraw/zinc/34/42/63/958344263.db2.gz UHEFPJAHWQEQIA-ZDUSSCGKSA-N -1 0 342.395 3.618 20 0 EHADRM Cc1ccc(C)c(OCCCCC(=O)Nc2cccnc2C(=O)[O-])c1 ZINC001594352149 958372358 /nfs/dbraw/zinc/37/23/58/958372358.db2.gz GGFQLBQFRGVTFR-UHFFFAOYSA-N -1 0 342.395 3.584 20 0 EHADRM Cc1ccc(C2=CCN(C(=O)C3(C(=O)[O-])CCCCC3)CC2)cc1 ZINC001594353151 958379161 /nfs/dbraw/zinc/37/91/61/958379161.db2.gz GHEBEBQQHVVLAZ-UHFFFAOYSA-N -1 0 327.424 3.646 20 0 EHADRM O=C([O-])[C@@]1(C(F)(F)F)CCN(Cc2c(Cl)cccc2Cl)C1 ZINC000113388338 958446670 /nfs/dbraw/zinc/44/66/70/958446670.db2.gz HDQGIYLQBNZCHV-GFCCVEGCSA-N -1 0 342.144 3.832 20 0 EHADRM Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC001594369515 958534201 /nfs/dbraw/zinc/53/42/01/958534201.db2.gz YJIMZVDDQCUZSL-AWEZNQCLSA-N -1 0 348.443 3.665 20 0 EHADRM COc1ccc2cc(COC(=O)[C@@H](C(=O)[O-])C(C)(C)C)ccc2c1 ZINC001594118282 958577020 /nfs/dbraw/zinc/57/70/20/958577020.db2.gz JOBRQFPONUEMPI-MRXNPFEDSA-N -1 0 330.380 3.639 20 0 EHADRM Cc1ccc(OCc2ccccc2)c(NC(=O)N(C)CCC(=O)[O-])c1 ZINC001594376043 958589341 /nfs/dbraw/zinc/58/93/41/958589341.db2.gz UHTGBDIBUMOZEM-UHFFFAOYSA-N -1 0 342.395 3.512 20 0 EHADRM C/C(=C/c1c(Cl)cccc1Cl)C(=O)N(CC(=O)[O-])CC1CC1 ZINC001588482129 958599806 /nfs/dbraw/zinc/59/98/06/958599806.db2.gz TYORKWNYKOEVHB-YFHOEESVSA-N -1 0 342.222 3.720 20 0 EHADRM Cc1ccc(NC(=O)CCOc2c(C)cccc2C)c(C(=O)[O-])c1 ZINC000391739354 972364088 /nfs/dbraw/zinc/36/40/88/972364088.db2.gz JKKHLPTZKRISBZ-UHFFFAOYSA-N -1 0 327.380 3.718 20 0 EHADRM C[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000391745053 972365522 /nfs/dbraw/zinc/36/55/22/972365522.db2.gz BTRWLKJBWFDPQP-CABZTGNLSA-N -1 0 326.343 3.705 20 0 EHADRM Cc1ccc2oc(CN(Cc3ccco3)C(=O)[C@@H](C)C(=O)[O-])cc2c1 ZINC001594385983 958666627 /nfs/dbraw/zinc/66/66/27/958666627.db2.gz NGYHYGWBRSRHDT-CYBMUJFWSA-N -1 0 341.363 3.584 20 0 EHADRM Cc1cccc(-c2ccc(C(=O)N[C@H](C(=O)[O-])c3ccccc3)n2C)c1 ZINC001594386493 958678107 /nfs/dbraw/zinc/67/81/07/958678107.db2.gz ZITIYZRJGYPYAP-IBGZPJMESA-N -1 0 348.402 3.556 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCc2c(Cl)c(Cl)ccc2C1 ZINC001573389479 958684742 /nfs/dbraw/zinc/68/47/42/958684742.db2.gz ASCQEXHLUBZNGC-GFCCVEGCSA-N -1 0 344.238 3.625 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc(Cl)ccc1Cl)c1cccs1 ZINC000129584062 958710999 /nfs/dbraw/zinc/71/09/99/958710999.db2.gz IOHYQHAZVHPFHV-LLVKDONJSA-N -1 0 330.192 3.611 20 0 EHADRM Cc1cccc([C@H](NC(=O)[C@@H](C)CSc2ccccc2)C(=O)[O-])c1 ZINC001594390616 958712162 /nfs/dbraw/zinc/71/21/62/958712162.db2.gz YIGVWPZPDIWNEU-YOEHRIQHSA-N -1 0 343.448 3.665 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1cccc(Oc2cnccn2)c1 ZINC001594391136 958722780 /nfs/dbraw/zinc/72/27/80/958722780.db2.gz WJCDOVAVLJHOMT-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM COc1ccccc1C/C(C)=C/C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001594145299 958756169 /nfs/dbraw/zinc/75/61/69/958756169.db2.gz MZUVVQNMFIXWLY-FIFPYPGSSA-N -1 0 347.455 3.580 20 0 EHADRM COc1ccccc1C[C@H]1CCC[C@@H]1OC(=O)CCCCC(=O)[O-] ZINC001594145342 958757281 /nfs/dbraw/zinc/75/72/81/958757281.db2.gz PTBSETDPJBYNGP-WBVHZDCISA-N -1 0 334.412 3.595 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)CCc1cccc2ccccc21 ZINC001573424475 958786835 /nfs/dbraw/zinc/78/68/35/958786835.db2.gz KVCXXLWZHUDRMT-UHFFFAOYSA-N -1 0 327.424 3.732 20 0 EHADRM Cc1cc(Cl)cc(C)c1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000132527465 958786674 /nfs/dbraw/zinc/78/66/74/958786674.db2.gz BSYFFHZTCSZFIT-UHFFFAOYSA-N -1 0 345.829 3.517 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)c1cc2ccccc2cc1O)C(=O)[O-] ZINC001573425531 958788018 /nfs/dbraw/zinc/78/80/18/958788018.db2.gz RTGCCCHIPNPBBF-HNNXBMFYSA-N -1 0 329.396 3.555 20 0 EHADRM CC(=O)c1c(C)cc(NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1C ZINC001588527193 958870619 /nfs/dbraw/zinc/87/06/19/958870619.db2.gz SMTMHWKARGHTHV-HNNXBMFYSA-N -1 0 346.427 3.615 20 0 EHADRM CC(C)(CCNC(=O)NC[C@@H]1CCC(C)(C)c2ccccc21)C(=O)[O-] ZINC001573474232 958950459 /nfs/dbraw/zinc/95/04/59/958950459.db2.gz KWQGZLHCSVNPEI-AWEZNQCLSA-N -1 0 346.471 3.642 20 0 EHADRM CC(C)(CNC(=O)[C@@]1(C(=O)[O-])CC=CCC1)c1ccc(Cl)cc1 ZINC001573474714 958956749 /nfs/dbraw/zinc/95/67/49/958956749.db2.gz JNZBHDSAIOIVMH-GOSISDBHSA-N -1 0 335.831 3.545 20 0 EHADRM Cc1ccccc1[C@H](CC(C)C)NC(=O)NCC1(C(=O)[O-])CCC1 ZINC001594415324 958990399 /nfs/dbraw/zinc/99/03/99/958990399.db2.gz HDTOOOMWZKJOHN-INIZCTEOSA-N -1 0 332.444 3.636 20 0 EHADRM C[C@H](C(=O)N1CCC[C@H](C)[C@@H]1C(=O)[O-])c1ccc2ccccc2c1 ZINC001588548503 959006375 /nfs/dbraw/zinc/00/63/75/959006375.db2.gz PJVJXLMASQMSSZ-SUNYJGFJSA-N -1 0 325.408 3.655 20 0 EHADRM Cc1ccccc1COC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001594418172 959033138 /nfs/dbraw/zinc/03/31/38/959033138.db2.gz MPLWJLWZHRJCQG-IAGOWNOFSA-N -1 0 325.364 3.534 20 0 EHADRM CC(C)[C@]1(C)C[C@@H]1C(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21 ZINC001573500158 959055893 /nfs/dbraw/zinc/05/58/93/959055893.db2.gz OTEDNKAFRIEYGT-NBQZKYEYSA-N -1 0 329.440 3.739 20 0 EHADRM CC(C)[C@H]1C[C@@H](CC(=O)N2CCCc3cc(C(=O)[O-])ccc32)CCO1 ZINC001573501146 959062634 /nfs/dbraw/zinc/06/26/34/959062634.db2.gz FRWXRPBKOARRFR-KBXCAEBGSA-N -1 0 345.439 3.505 20 0 EHADRM CC(C)[C@H]1CCCCCN1C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001573502905 959075915 /nfs/dbraw/zinc/07/59/15/959075915.db2.gz VUUFFPOMFVWIBS-XLIONFOSSA-N -1 0 346.471 3.639 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N[C@@H](C)c1ccc(Cl)c(F)c1)C(=O)[O-] ZINC001573511247 959096848 /nfs/dbraw/zinc/09/68/48/959096848.db2.gz SPFAOXXILBCXEB-JQWIXIFHSA-N -1 0 344.814 3.586 20 0 EHADRM Cc1ccnc2ccc(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])cc12 ZINC001594425079 959107856 /nfs/dbraw/zinc/10/78/56/959107856.db2.gz BQPYZKLKISZROC-MRXNPFEDSA-N -1 0 328.412 3.553 20 0 EHADRM CSCc1cc(C(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2)ccc1F ZINC001594187905 959137583 /nfs/dbraw/zinc/13/75/83/959137583.db2.gz DPWAMLZMDHCINJ-MRXNPFEDSA-N -1 0 347.411 3.553 20 0 EHADRM CC(C)C[C@H](CNC(=O)N(C)CCC1CCCCC1)CC(=O)[O-] ZINC001573532131 959165400 /nfs/dbraw/zinc/16/54/00/959165400.db2.gz VRCYVJXLAPPJHW-INIZCTEOSA-N -1 0 326.481 3.735 20 0 EHADRM CC(C)Cc1ccccc1CNC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001573544248 959201181 /nfs/dbraw/zinc/20/11/81/959201181.db2.gz WPJJHGPSTPDQNH-BQYQJAHWSA-N -1 0 327.380 3.506 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)N2CCC[C@@](C)(C(=O)[O-])C2)c1 ZINC000392112492 972410605 /nfs/dbraw/zinc/41/06/05/972410605.db2.gz ANDFMHNFGOPROU-SCLBCKFNSA-N -1 0 334.416 3.583 20 0 EHADRM Cc1coc(-c2ccc(C)c(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c2)n1 ZINC001594436441 959242622 /nfs/dbraw/zinc/24/26/22/959242622.db2.gz ZKYJMIGSIBAUHG-AWEZNQCLSA-N -1 0 330.384 3.644 20 0 EHADRM C[C@@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccc(Cl)s1 ZINC001594200642 959245993 /nfs/dbraw/zinc/24/59/93/959245993.db2.gz DZWYNVXBUVHURO-HOOMWESVSA-N -1 0 325.773 3.583 20 0 EHADRM Cc1ccc(Br)c(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000164171953 959254074 /nfs/dbraw/zinc/25/40/74/959254074.db2.gz FUCLBOKVHSOKDW-WDEREUQCSA-N -1 0 340.217 3.587 20 0 EHADRM CC(C)c1c(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)cnn1-c1ccccc1 ZINC001573559327 959270616 /nfs/dbraw/zinc/27/06/16/959270616.db2.gz KBJYMNVEEWFBAS-OAHLLOKOSA-N -1 0 343.427 3.681 20 0 EHADRM CC(C)c1cc(C(=O)Nc2cccnc2C(=O)[O-])c2ccccc2n1 ZINC001573559356 959272010 /nfs/dbraw/zinc/27/20/10/959272010.db2.gz MVWQIFRXDHFAKR-UHFFFAOYSA-N -1 0 335.363 3.704 20 0 EHADRM CC(C)c1ccc2c(c1)CCCN2C(=O)C1(C(=O)[O-])CCSCC1 ZINC001573566261 959288306 /nfs/dbraw/zinc/28/83/06/959288306.db2.gz HLMDVLBBNRKQSP-UHFFFAOYSA-N -1 0 347.480 3.687 20 0 EHADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N(C)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC001594221328 959378105 /nfs/dbraw/zinc/37/81/05/959378105.db2.gz UVRKTOKGJRKNPY-ZMZPIMSZSA-N -1 0 347.798 3.669 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CCC(=O)N2CCc3cc(C(=O)[O-])ccc32)o1 ZINC000392214255 972427998 /nfs/dbraw/zinc/42/79/98/972427998.db2.gz ULNJNZURCIUWBP-BLLLJJGKSA-N -1 0 339.391 3.623 20 0 EHADRM Cc1ccccc1C(C)(C)C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000178225184 959428067 /nfs/dbraw/zinc/42/80/67/959428067.db2.gz APCLXQYOQRDSKZ-UHFFFAOYSA-N -1 0 341.407 3.683 20 0 EHADRM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1ccc(C(=O)[O-])nc1 ZINC000178934950 959431278 /nfs/dbraw/zinc/43/12/78/959431278.db2.gz FTNLQXRISKUANG-NSHDSACASA-N -1 0 347.440 3.501 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccccc2OC2CCCC2)C1 ZINC000179973313 959434810 /nfs/dbraw/zinc/43/48/10/959434810.db2.gz RUNPREXICRUOLH-ZIAGYGMSSA-N -1 0 331.412 3.838 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000183966172 959461752 /nfs/dbraw/zinc/46/17/52/959461752.db2.gz XEUFHGOPGSMTQF-QWRGUYRKSA-N -1 0 329.849 3.641 20 0 EHADRM Cc1nc2c(F)cccc2cc1C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001594461419 959462239 /nfs/dbraw/zinc/46/22/39/959462239.db2.gz DZQDAKZTBOELMP-UHFFFAOYSA-N -1 0 344.386 3.590 20 0 EHADRM Cc1ccc(OCCC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc1C ZINC000392234922 972431358 /nfs/dbraw/zinc/43/13/58/972431358.db2.gz DMGKNNHKYHINSC-UHFFFAOYSA-N -1 0 349.333 3.687 20 0 EHADRM Cc1nc2ccc(COC(=O)c3cccc(C(=O)[O-])c3)cc2s1 ZINC001594464155 959491525 /nfs/dbraw/zinc/49/15/25/959491525.db2.gz HAHNEBACAOPJCY-UHFFFAOYSA-N -1 0 327.361 3.660 20 0 EHADRM Cc1c(C(=O)N(CCC(=O)[O-])CC(C)C)cccc1-c1ccccn1 ZINC000190694554 959518468 /nfs/dbraw/zinc/51/84/68/959518468.db2.gz QPVBTSBJSVWGFV-UHFFFAOYSA-N -1 0 340.423 3.630 20 0 EHADRM CCCc1c(C(=O)Nc2cccc(C(=O)[O-])c2)cnn1-c1ccccc1 ZINC000190875106 959525702 /nfs/dbraw/zinc/52/57/02/959525702.db2.gz BAPGBRSZHQFRBX-UHFFFAOYSA-N -1 0 349.390 3.775 20 0 EHADRM Cc1oc(CNC(=O)C[C@@H](C)Cc2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000190925101 959530388 /nfs/dbraw/zinc/53/03/88/959530388.db2.gz YPEZGOIDWWKBPU-NSHDSACASA-N -1 0 349.814 3.825 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)nn1-c1ccc(C)cc1 ZINC000190978902 959531392 /nfs/dbraw/zinc/53/13/92/959531392.db2.gz NGRIFPGPPYGBSN-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM C[C@H](OC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c1cccc(OC(F)F)c1 ZINC001594242237 959539035 /nfs/dbraw/zinc/53/90/35/959539035.db2.gz DVDIAWBWEXMUNY-JOYOIKCWSA-N -1 0 330.327 3.639 20 0 EHADRM C[C@@H]1SCCN(C(=O)CC(C)(C)CC(=O)[O-])[C@H]1c1ccccc1 ZINC000191134707 959542561 /nfs/dbraw/zinc/54/25/61/959542561.db2.gz ONURNZIBLUJYLS-SUMWQHHRSA-N -1 0 335.469 3.583 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)[C@@H]2CSc3ccccc32)cc1)C(=O)[O-] ZINC000191389958 959556685 /nfs/dbraw/zinc/55/66/85/959556685.db2.gz XXQCEHWDQKQMCD-MLGOLLRUSA-N -1 0 341.432 3.778 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1)C(=O)[O-] ZINC000191386572 959557226 /nfs/dbraw/zinc/55/72/26/959557226.db2.gz NYNKQFYHAPSOHR-LLVKDONJSA-N -1 0 349.333 3.804 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)CCCc2cccs2)cc1)C(=O)[O-] ZINC000191418574 959564245 /nfs/dbraw/zinc/56/42/45/959564245.db2.gz PDUVVWAJMBSTTL-ZDUSSCGKSA-N -1 0 331.437 3.973 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)[C@@H](C)c2cccc(F)c2)cc1)C(=O)[O-] ZINC000191422709 959565581 /nfs/dbraw/zinc/56/55/81/959565581.db2.gz IBOFXIQUYKLOEZ-STQMWFEESA-N -1 0 329.371 3.831 20 0 EHADRM CCc1ccccc1OCC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000191427650 959566091 /nfs/dbraw/zinc/56/60/91/959566091.db2.gz YNFJHQXXELBWGH-CQSZACIVSA-N -1 0 341.407 3.530 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)C2(c3cccc(F)c3)CC2)cc1)C(=O)[O-] ZINC000191445675 959570381 /nfs/dbraw/zinc/57/03/81/959570381.db2.gz LKJKOFLIOBBJIK-ZDUSSCGKSA-N -1 0 341.382 3.759 20 0 EHADRM C[C@H](C(=O)Nc1cc2ccccc2cc1C(=O)[O-])C1CCOCC1 ZINC000192864453 959592578 /nfs/dbraw/zinc/59/25/78/959592578.db2.gz AHXYOIISKMGZOR-LBPRGKRZSA-N -1 0 327.380 3.539 20 0 EHADRM CCC(CC)C(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000192888300 959594255 /nfs/dbraw/zinc/59/42/55/959594255.db2.gz BZODAETVXMSYEQ-CYBMUJFWSA-N -1 0 342.233 3.517 20 0 EHADRM Cc1cc(Cl)c(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)cc1C ZINC000192939782 959598055 /nfs/dbraw/zinc/59/80/55/959598055.db2.gz XEQPQLJDYKPCDM-AWEZNQCLSA-N -1 0 329.783 3.785 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC001588631467 959617563 /nfs/dbraw/zinc/61/75/63/959617563.db2.gz LGCPLZMUVLKTDY-CZUORRHYSA-N -1 0 335.419 3.669 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CC2(CCCC2)c2cccc(F)c21 ZINC001588631461 959618418 /nfs/dbraw/zinc/61/84/18/959618418.db2.gz LFPAAXCGLYHXCP-CQSZACIVSA-N -1 0 333.403 3.731 20 0 EHADRM Cc1c(NC(=O)Nc2cccc(C(=O)[O-])c2)n[nH]c1-c1ccccc1 ZINC001594253867 959637689 /nfs/dbraw/zinc/63/76/89/959637689.db2.gz LKXNOBFNFUKLSF-UHFFFAOYSA-N -1 0 336.351 3.727 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(Oc2ccc(F)cc2)cn1 ZINC001588635005 959648840 /nfs/dbraw/zinc/64/88/40/959648840.db2.gz WVCZLEGZULABFE-HNNXBMFYSA-N -1 0 346.358 3.698 20 0 EHADRM CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NCC[C@@H]1C[C@H]1Cc1ccccc1 ZINC001573655125 959664357 /nfs/dbraw/zinc/66/43/57/959664357.db2.gz ATXHJLXKNKVSHN-HZPDHXFCSA-N -1 0 343.467 3.509 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ncc(-c2cccc(F)c2)s1 ZINC001588640310 959682969 /nfs/dbraw/zinc/68/29/69/959682969.db2.gz JIHNBWCNOOKVPY-LBPRGKRZSA-N -1 0 336.388 3.635 20 0 EHADRM CC1(C)CCN(C(=O)c2coc(/C=C/C(=O)[O-])c2)c2ccccc21 ZINC001573667247 959699343 /nfs/dbraw/zinc/69/93/43/959699343.db2.gz IWUJIOXDNCXEDD-BQYQJAHWSA-N -1 0 325.364 3.706 20 0 EHADRM Cc1c(Cl)cncc1NCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001594262743 959711713 /nfs/dbraw/zinc/71/17/13/959711713.db2.gz RSXFYBLZWTYSKT-LBPRGKRZSA-N -1 0 349.818 3.550 20 0 EHADRM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CCC[C@]1(C)C(=O)[O-] ZINC001594266617 959745027 /nfs/dbraw/zinc/74/50/27/959745027.db2.gz KXMJLGZFODPYJW-AUUYWEPGSA-N -1 0 332.444 3.531 20 0 EHADRM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC001594266770 959745769 /nfs/dbraw/zinc/74/57/69/959745769.db2.gz NJRAUGCXYUEQRY-NUEKZKHPSA-N -1 0 346.471 3.634 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)/C=C\c1cc(Cl)cc(Cl)c1 ZINC000215301913 959749404 /nfs/dbraw/zinc/74/94/04/959749404.db2.gz NSYCPMSLBDVEGP-LWTINBJPSA-N -1 0 330.211 3.718 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)c1[nH]ccc1-c1ccccc1)C(=O)[O-] ZINC001588648714 959750112 /nfs/dbraw/zinc/75/01/12/959750112.db2.gz PYOHWORYZHROME-HNNXBMFYSA-N -1 0 328.412 3.691 20 0 EHADRM C[C@]1(Cc2cccs2)CCCN1C(=O)c1cccc(C(=O)[O-])c1 ZINC001573688984 959753113 /nfs/dbraw/zinc/75/31/13/959753113.db2.gz ACWOIZMQAWBTMB-GOSISDBHSA-N -1 0 329.421 3.684 20 0 EHADRM Cc1cc(-c2ncccc2NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cs1 ZINC001594268100 959761668 /nfs/dbraw/zinc/76/16/68/959761668.db2.gz GHSGCXWNCSISPK-NEPJUHHUSA-N -1 0 330.409 3.558 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000217312899 959771098 /nfs/dbraw/zinc/77/10/98/959771098.db2.gz IMHCUHBHYFPHIP-UHFFFAOYSA-N -1 0 338.285 3.725 20 0 EHADRM O=C([O-])CCCCCNC(=O)NC(c1ccccc1)c1ccccc1 ZINC000217269670 959771559 /nfs/dbraw/zinc/77/15/59/959771559.db2.gz JSXJEQQQYLURIA-UHFFFAOYSA-N -1 0 340.423 3.720 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ccnc(C(=O)[O-])c2)C1 ZINC001573700974 959831381 /nfs/dbraw/zinc/83/13/81/959831381.db2.gz KBOIPFCIQRCBMC-BDJLRTHQSA-N -1 0 343.358 3.534 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CNc1cc(F)c(Br)cc1F ZINC000232174323 960252227 /nfs/dbraw/zinc/25/22/27/960252227.db2.gz XGBKAPRBUYAIRE-UHFFFAOYSA-N -1 0 346.127 3.939 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc3c(s2)CCCCCC3)C[C@@H]1C(=O)[O-] ZINC001573736388 960439643 /nfs/dbraw/zinc/43/96/43/960439643.db2.gz USPABSJSWJZDSA-OCCSQVGLSA-N -1 0 335.469 3.590 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000235770060 960492579 /nfs/dbraw/zinc/49/25/79/960492579.db2.gz LFILZYANLKMJFE-ZDUSSCGKSA-N -1 0 333.171 3.593 20 0 EHADRM Cc1ccc(N(C)C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)c(C)c1 ZINC000392680826 972508909 /nfs/dbraw/zinc/50/89/09/972508909.db2.gz PFKBODSWGKPVSA-UHFFFAOYSA-N -1 0 334.322 3.948 20 0 EHADRM CSc1ccc(-c2csc(NC(=O)[C@]3(C(=O)[O-])C[C@H]3C)n2)cc1 ZINC001574257591 960545402 /nfs/dbraw/zinc/54/54/02/960545402.db2.gz QWQSBYZZMGAWEP-ABKXIKBNSA-N -1 0 348.449 3.581 20 0 EHADRM CSc1cccc(F)c1C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001574257657 960547557 /nfs/dbraw/zinc/54/75/57/960547557.db2.gz NHXVCFJWSYJFDW-GXTWGEPZSA-N -1 0 345.395 3.591 20 0 EHADRM CSc1ccccc1NC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001574257778 960548928 /nfs/dbraw/zinc/54/89/28/960548928.db2.gz PWUINFFEHLLABU-GOSISDBHSA-N -1 0 344.436 3.573 20 0 EHADRM CCC(C)(C)OCc1ccccc1NC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001573769960 960657191 /nfs/dbraw/zinc/65/71/91/960657191.db2.gz IQXPGRSCQOAYOD-IBGZPJMESA-N -1 0 348.443 3.720 20 0 EHADRM C[C@H](OC(=O)C1(CC(=O)[O-])CCC1)c1ccccc1Br ZINC001574289718 960675698 /nfs/dbraw/zinc/67/56/98/960675698.db2.gz RKSFOQPHJXXOMT-JTQLQIEISA-N -1 0 341.201 3.698 20 0 EHADRM CSC1(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)CCC1 ZINC001604955969 972527465 /nfs/dbraw/zinc/52/74/65/972527465.db2.gz NJCIMAPPAXTPOM-UHFFFAOYSA-N -1 0 346.811 3.585 20 0 EHADRM Cc1[nH]nc(NC(=O)CCCCC(=O)[O-])c1-c1ccc(Cl)cc1 ZINC001574298672 960715131 /nfs/dbraw/zinc/71/51/31/960715131.db2.gz KWHUZRZHAJSMAO-UHFFFAOYSA-N -1 0 335.791 3.622 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000236692296 960734109 /nfs/dbraw/zinc/73/41/09/960734109.db2.gz BSVMKJVUPLDXHW-UHFFFAOYSA-N -1 0 335.400 3.737 20 0 EHADRM CC(C)CCO[C@@H](C)C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000236753456 960751199 /nfs/dbraw/zinc/75/11/99/960751199.db2.gz BQBBFVRECLCWQD-NSHDSACASA-N -1 0 335.425 3.989 20 0 EHADRM CC(C)CCO[C@H](C)C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000236762140 960754475 /nfs/dbraw/zinc/75/44/75/960754475.db2.gz BQBBFVRECLCWQD-LLVKDONJSA-N -1 0 335.425 3.989 20 0 EHADRM CC(C)(CC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000236795563 960757771 /nfs/dbraw/zinc/75/77/71/960757771.db2.gz WKACOMIRVRHSDA-QGZVFWFLSA-N -1 0 343.398 3.826 20 0 EHADRM CCC(CC)(CNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000236861044 960779430 /nfs/dbraw/zinc/77/94/30/960779430.db2.gz IKQAWSDGXMTZMT-QZTJIDSGSA-N -1 0 339.435 3.951 20 0 EHADRM CCC(CC)(CNC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000236870269 960784365 /nfs/dbraw/zinc/78/43/65/960784365.db2.gz IKQAWSDGXMTZMT-MSOLQXFVSA-N -1 0 339.435 3.951 20 0 EHADRM CCC[C@@H](NC(=O)c1ccc(SCc2ccccc2)cc1)C(=O)[O-] ZINC000236896109 960791089 /nfs/dbraw/zinc/79/10/89/960791089.db2.gz LVUXISSTPGJCRU-QGZVFWFLSA-N -1 0 343.448 3.962 20 0 EHADRM COc1ccc2cc(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)ccc2c1 ZINC001262174100 960802827 /nfs/dbraw/zinc/80/28/27/960802827.db2.gz HJELQWJLEMERCF-UHFFFAOYSA-N -1 0 339.322 3.938 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc(COc2ccccc2)cc1 ZINC000236933627 960804320 /nfs/dbraw/zinc/80/43/20/960804320.db2.gz IQUSXZOEFBBTKB-HNNXBMFYSA-N -1 0 341.407 3.591 20 0 EHADRM CC[C@@H](C)[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000236932050 960804933 /nfs/dbraw/zinc/80/49/33/960804933.db2.gz GTUKASABNPWDLB-RDTXWAMCSA-N -1 0 325.408 3.831 20 0 EHADRM CC[C@@H](C(=O)Nc1ccc(OCCC(=O)[O-])cc1)c1ccccc1 ZINC000236973567 960818867 /nfs/dbraw/zinc/81/88/67/960818867.db2.gz ADVHETRMFKXQDT-QGZVFWFLSA-N -1 0 327.380 3.672 20 0 EHADRM CCC[C@@](C)(NC(=O)c1cc(C)n(Cc2ccccc2)c1C)C(=O)[O-] ZINC000236975312 960821047 /nfs/dbraw/zinc/82/10/47/960821047.db2.gz GDBSOTBGVKIHNI-HXUWFJFHSA-N -1 0 342.439 3.526 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cc(C)n(C2CCCCC2)c1C ZINC000237058918 960859926 /nfs/dbraw/zinc/85/99/26/960859926.db2.gz INNKNZFXTJOHRZ-CYBMUJFWSA-N -1 0 334.460 3.935 20 0 EHADRM Cc1nc2ccccc2cc1C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000237066802 960861846 /nfs/dbraw/zinc/86/18/46/960861846.db2.gz IFBLALPUTLLZPL-UHFFFAOYSA-N -1 0 334.375 3.514 20 0 EHADRM Cc1cc(Cl)ccc1OCCCNC(=O)c1ccc(C(=O)[O-])cc1 ZINC001574330589 960879329 /nfs/dbraw/zinc/87/93/29/960879329.db2.gz CHSSKUPIMFCDNQ-UHFFFAOYSA-N -1 0 347.798 3.546 20 0 EHADRM COc1ccc(C[C@@H](C)C(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000237219019 960890474 /nfs/dbraw/zinc/89/04/74/960890474.db2.gz HYAQVVHDKMKEQQ-CYBMUJFWSA-N -1 0 327.380 3.519 20 0 EHADRM COCc1ccc(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])cc1 ZINC000237250898 960893798 /nfs/dbraw/zinc/89/37/98/960893798.db2.gz HFLVSXWJTPSRQU-UHFFFAOYSA-N -1 0 335.359 3.937 20 0 EHADRM COc1cc(C2(C(=O)Nc3ccc(C)c(C(=O)[O-])c3)CC2)ccc1C ZINC000237291056 960903828 /nfs/dbraw/zinc/90/38/28/960903828.db2.gz AQFSFTYTMRCSII-UHFFFAOYSA-N -1 0 339.391 3.681 20 0 EHADRM COc1cc(CNC(=O)CCCC2CCCCC2)ccc1C(=O)[O-] ZINC000237337932 960912912 /nfs/dbraw/zinc/91/29/12/960912912.db2.gz NVRKPLCQFOQEQV-UHFFFAOYSA-N -1 0 333.428 3.760 20 0 EHADRM COc1cccc(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)c1F ZINC000237340424 960914985 /nfs/dbraw/zinc/91/49/85/960914985.db2.gz WNSNZDJWHFSUGT-UHFFFAOYSA-N -1 0 345.351 4.000 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)C[C@@H](C)c2ccc(F)cc2)cc1 ZINC001319309319 960935321 /nfs/dbraw/zinc/93/53/21/960935321.db2.gz HVTNRBWOABNBCS-KDOFPFPSSA-N -1 0 343.398 3.960 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)CCc1ccc(F)cc1)C(=O)[O-] ZINC000237481331 960943204 /nfs/dbraw/zinc/94/32/04/960943204.db2.gz LNVPDJSVIHJAOV-HNNXBMFYSA-N -1 0 343.398 3.508 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)Cn1ccc2ccc(Cl)cc21 ZINC001319418235 960948788 /nfs/dbraw/zinc/94/87/88/960948788.db2.gz ZODUJFDHKWTGJR-UHFFFAOYSA-N -1 0 342.782 3.940 20 0 EHADRM Cc1ccc(NC(=O)[C@H](C)SCc2ccccc2)cc1C(=O)[O-] ZINC000237524516 960952808 /nfs/dbraw/zinc/95/28/08/960952808.db2.gz HJXJRDINUPTVNT-ZDUSSCGKSA-N -1 0 329.421 3.954 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NCc1ccccc1Cl)C(=O)[O-] ZINC000237558955 960960538 /nfs/dbraw/zinc/96/05/38/960960538.db2.gz HWAVFQZXCQPEGX-NSHDSACASA-N -1 0 349.839 3.835 20 0 EHADRM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1ccc(C(=O)[O-])o1 ZINC000237572959 960964853 /nfs/dbraw/zinc/96/48/53/960964853.db2.gz YMNBDQYMBXOYBQ-GHMZBOCLSA-N -1 0 335.787 3.895 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])s1)c1ccc(OC(F)F)cc1 ZINC000237602445 960971718 /nfs/dbraw/zinc/97/17/18/960971718.db2.gz QJUJAKFIVXRCDI-QMMMGPOBSA-N -1 0 341.335 3.539 20 0 EHADRM C[C@H]1CCc2c(C(=O)N[C@@H](CC(=O)[O-])c3cccs3)csc2C1 ZINC000237614413 960974501 /nfs/dbraw/zinc/97/45/01/960974501.db2.gz OCRAXJWCBNIJPG-GWCFXTLKSA-N -1 0 349.477 3.880 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(C(=O)[O-])cn1)C1CC1 ZINC000237622496 960976058 /nfs/dbraw/zinc/97/60/58/960976058.db2.gz YYSATZKXMZZBNM-NSHDSACASA-N -1 0 344.798 3.799 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)c1ccc(SCc2ccccc2)cc1 ZINC000237642283 960982386 /nfs/dbraw/zinc/98/23/86/960982386.db2.gz IATYTSDWOJIABN-CYBMUJFWSA-N -1 0 329.421 3.572 20 0 EHADRM Cc1ccccc1C1(C(=O)N2CC[C@](C)(C(=O)[O-])C2)CCCCC1 ZINC000237688990 960997972 /nfs/dbraw/zinc/99/79/72/960997972.db2.gz SSDUCGHJJOJDSH-IBGZPJMESA-N -1 0 329.440 3.520 20 0 EHADRM Cc1ccc(CCCCC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000237701742 961001137 /nfs/dbraw/zinc/00/11/37/961001137.db2.gz AEMVVZLXHOVXLI-GOSISDBHSA-N -1 0 331.456 3.811 20 0 EHADRM CCC[C@@H](Cc1ccccc1)NC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001573836362 961054281 /nfs/dbraw/zinc/05/42/81/961054281.db2.gz RQHJDASQOCVSQG-SCOAYWHSSA-N -1 0 327.380 3.519 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)[C@H]1OCCc2ccccc21 ZINC000238016291 961076925 /nfs/dbraw/zinc/07/69/25/961076925.db2.gz BYUZNHQGLZUMKE-IBGZPJMESA-N -1 0 347.370 3.791 20 0 EHADRM CCCCCC[C@H](O)CCC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001573841592 961085783 /nfs/dbraw/zinc/08/57/83/961085783.db2.gz VZCVBTMUFLBRMB-QGTPRVQTSA-N -1 0 347.455 3.527 20 0 EHADRM CCCC1CCC(N(C)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CC1 ZINC001573841702 961088684 /nfs/dbraw/zinc/08/86/84/961088684.db2.gz ZPFGSMSQSXNGFY-HWOWSKLDSA-N -1 0 326.481 3.734 20 0 EHADRM CC(C)(C)Oc1c(F)cc(NC(=O)C2(C(=O)[O-])CC=CC2)cc1F ZINC001588734624 961126549 /nfs/dbraw/zinc/12/65/49/961126549.db2.gz IQQMSKPMTZCCQA-UHFFFAOYSA-N -1 0 339.338 3.502 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1csc2ccccc12)c1ccc(F)cc1 ZINC000238169066 961141939 /nfs/dbraw/zinc/14/19/39/961141939.db2.gz UCBPBJZLOYALMR-OAHLLOKOSA-N -1 0 343.379 3.986 20 0 EHADRM O=C([O-])CCCC(=O)Nc1ccccc1COCc1ccccc1 ZINC001327209065 961151232 /nfs/dbraw/zinc/15/12/32/961151232.db2.gz UBROLOCGULUFJT-UHFFFAOYSA-N -1 0 327.380 3.597 20 0 EHADRM CCCN(Cc1ccccc1F)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001573856863 961150921 /nfs/dbraw/zinc/15/09/21/961150921.db2.gz FQTAMARFYZWHJZ-NTMALXAHSA-N -1 0 331.343 3.569 20 0 EHADRM O=C([O-])CCNC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000238190031 961152272 /nfs/dbraw/zinc/15/22/72/961152272.db2.gz PMRXTIMACAHEEC-UHFFFAOYSA-N -1 0 344.219 3.926 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2occc2COc2ccccc2)cc1 ZINC000238185718 961152582 /nfs/dbraw/zinc/15/25/82/961152582.db2.gz KNSYMGJLECLOPX-UHFFFAOYSA-N -1 0 337.331 3.809 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1 ZINC001574389413 961158885 /nfs/dbraw/zinc/15/88/85/961158885.db2.gz NDUQHTIIOQECHC-DLBZAZTESA-N -1 0 338.407 3.501 20 0 EHADRM CC(C)(C)c1cnc(NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)s1 ZINC001588747255 961184657 /nfs/dbraw/zinc/18/46/57/961184657.db2.gz UTTNQDKNZMQKNW-NSHDSACASA-N -1 0 339.461 3.549 20 0 EHADRM Cc1cccnc1[C@H](NC(=O)c1coc(/C=C/C(=O)[O-])c1)C(C)(C)C ZINC001574407673 961266890 /nfs/dbraw/zinc/26/68/90/961266890.db2.gz NRBBMSZHEAHZTQ-OZSKJFCKSA-N -1 0 342.395 3.598 20 0 EHADRM CN(C(=O)c1ccc(-c2cccc(F)c2)s1)C(C)(C)CC(=O)[O-] ZINC001330117532 961325735 /nfs/dbraw/zinc/32/57/35/961325735.db2.gz ZNABMIIKUPCXLP-UHFFFAOYSA-N -1 0 335.400 3.880 20 0 EHADRM CCC[C@@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1)c1ccccn1 ZINC001330256266 961339485 /nfs/dbraw/zinc/33/94/85/961339485.db2.gz ZUOOJEXSJMVSRE-SJLPKXTDSA-N -1 0 340.423 3.606 20 0 EHADRM CCC[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1)c1ccccn1 ZINC001330256250 961340532 /nfs/dbraw/zinc/34/05/32/961340532.db2.gz ZUOOJEXSJMVSRE-AEFFLSMTSA-N -1 0 340.423 3.606 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc([C@@H]2CCCOC2)cc1 ZINC001330817414 961356937 /nfs/dbraw/zinc/35/69/37/961356937.db2.gz IMNLVQYCPLWIIY-QGZVFWFLSA-N -1 0 339.391 3.840 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2cccc(-c3nccs3)c2)C1 ZINC000261897076 961396548 /nfs/dbraw/zinc/39/65/48/961396548.db2.gz OJTNTVDOZXPPQG-YPMHNXCESA-N -1 0 330.409 3.640 20 0 EHADRM CCc1ccc(F)cc1C(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001331882645 961399059 /nfs/dbraw/zinc/39/90/59/961399059.db2.gz CJUFWXNMFSKWMZ-QGZVFWFLSA-N -1 0 329.371 3.642 20 0 EHADRM C[C@H]1CCc2nc(CN[C@@H](CC3CCCCC3)C(=O)[O-])sc2C1 ZINC001331932496 961417511 /nfs/dbraw/zinc/41/75/11/961417511.db2.gz QKJCDBMIAAGSDY-WFASDCNBSA-N -1 0 336.501 3.781 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000262077549 961437322 /nfs/dbraw/zinc/43/73/22/961437322.db2.gz GUOZCDQGSRHILX-NSHDSACASA-N -1 0 341.860 3.534 20 0 EHADRM CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)[C@H]2CC[C@H]2C(=O)[O-])cc1 ZINC000262131255 961487099 /nfs/dbraw/zinc/48/70/99/961487099.db2.gz NZMIPGLEUHXULU-BBWFWOEESA-N -1 0 329.440 3.758 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001588808803 961504877 /nfs/dbraw/zinc/50/48/77/961504877.db2.gz YCBMBSBAULPSNP-MJVIPROJSA-N -1 0 344.238 3.712 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)NC(=O)NCCCCCC(=O)[O-] ZINC001588811876 961520742 /nfs/dbraw/zinc/52/07/42/961520742.db2.gz DEAIWCTWZFLJGQ-IBGZPJMESA-N -1 0 334.460 3.588 20 0 EHADRM Cc1c(NC(=O)Cc2ccccc2C(=O)[O-])sc2c1CCCC2 ZINC000262171732 961521577 /nfs/dbraw/zinc/52/15/77/961521577.db2.gz LLFDSAWYINXBGW-UHFFFAOYSA-N -1 0 329.421 3.815 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@@H]1CCC[C@@H](F)C1)c1cccc2ccccc21 ZINC001332189043 961524265 /nfs/dbraw/zinc/52/42/65/961524265.db2.gz HKLGPXCAAZUNAK-CPUCHLNUSA-N -1 0 329.371 3.610 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001588812864 961532973 /nfs/dbraw/zinc/53/29/73/961532973.db2.gz QIOJHAKNNPQVIH-FXAWDEMLSA-N -1 0 331.456 3.605 20 0 EHADRM CSc1ccccc1C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000262202197 961547846 /nfs/dbraw/zinc/54/78/46/961547846.db2.gz SIHDEBVYWMCYIK-OAHLLOKOSA-N -1 0 343.448 3.614 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000262213340 961560214 /nfs/dbraw/zinc/56/02/14/961560214.db2.gz QCEBLSXPPAPIDY-GOSISDBHSA-N -1 0 343.810 3.848 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000262213341 961560617 /nfs/dbraw/zinc/56/06/17/961560617.db2.gz QCEBLSXPPAPIDY-SFHVURJKSA-N -1 0 343.810 3.848 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C3CC3)nc2C)cc1 ZINC001332578909 961592334 /nfs/dbraw/zinc/59/23/34/961592334.db2.gz LBSPIVKXVJXKON-GOSISDBHSA-N -1 0 338.407 3.522 20 0 EHADRM CC(C)[C@H](CNC(=O)N1CCC(C)(C)[C@@H](c2ccccc2)C1)C(=O)[O-] ZINC001588822233 961635347 /nfs/dbraw/zinc/63/53/47/961635347.db2.gz GHECTKAGSMZXSI-DLBZAZTESA-N -1 0 346.471 3.569 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)Cc1ccccc1C(=O)[O-] ZINC000262337186 961652750 /nfs/dbraw/zinc/65/27/50/961652750.db2.gz TYPQIJBHSAEDNI-UHFFFAOYSA-N -1 0 337.828 3.691 20 0 EHADRM CC(C)[C@@H](CNC(=O)Nc1ccc(Cl)cc1-n1cccc1)C(=O)[O-] ZINC001588827155 961679181 /nfs/dbraw/zinc/67/91/81/961679181.db2.gz LTTNMVNACMKFDF-CYBMUJFWSA-N -1 0 349.818 3.609 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(CCc2cccc(F)c2)C2CC2)c(F)c1 ZINC000262384508 961685293 /nfs/dbraw/zinc/68/52/93/961685293.db2.gz LXRFCPQBPWJOHF-UHFFFAOYSA-N -1 0 345.345 3.510 20 0 EHADRM CC[C@](C)(NC(=O)c1csc(-c2ccc(Cl)s2)n1)C(=O)[O-] ZINC000262498855 961753210 /nfs/dbraw/zinc/75/32/10/961753210.db2.gz YAEQIAFPQZNGOK-ZDUSSCGKSA-N -1 0 344.845 3.508 20 0 EHADRM CC[C@@](C)(NC(=O)c1csc(-c2ccc(Cl)s2)n1)C(=O)[O-] ZINC000262498854 961753514 /nfs/dbraw/zinc/75/35/14/961753514.db2.gz YAEQIAFPQZNGOK-CYBMUJFWSA-N -1 0 344.845 3.508 20 0 EHADRM Cc1oc(CN(C)C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1C(=O)[O-] ZINC000262559668 961772636 /nfs/dbraw/zinc/77/26/36/961772636.db2.gz ZFQQBGKTAKKJRA-GHMZBOCLSA-N -1 0 347.333 3.613 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N[C@@H](C)c1cccs1)C(=O)[O-] ZINC000262660294 961798434 /nfs/dbraw/zinc/79/84/34/961798434.db2.gz UGKNKOHXOUWWRR-WDEREUQCSA-N -1 0 335.450 3.804 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)Nc2cccc(-c3nccs3)c2)CC1 ZINC000262688968 961809586 /nfs/dbraw/zinc/80/95/86/961809586.db2.gz DLLJVILBSUIYCC-HAQNSBGRSA-N -1 0 330.409 3.640 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000262696745 961812641 /nfs/dbraw/zinc/81/26/41/961812641.db2.gz GNHGDENYGQTDHJ-KGLIPLIRSA-N -1 0 337.375 3.878 20 0 EHADRM CC(C)(Cc1ccccc1Cl)NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262722822 961827152 /nfs/dbraw/zinc/82/71/52/961827152.db2.gz QRCHAILIKIFFKQ-JOCQHMNTSA-N -1 0 337.847 3.668 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CC1CC(c2ccccc2)C1)c1ccc(F)cc1 ZINC001574517171 961852152 /nfs/dbraw/zinc/85/21/52/961852152.db2.gz ZNBMEZRFCKZLEL-ZVYVSMAVSA-N -1 0 341.382 3.652 20 0 EHADRM O=C([O-])CC1(NC(=O)c2ccc(-c3ccccc3F)o2)CCCC1 ZINC000262768824 961857681 /nfs/dbraw/zinc/85/76/81/961857681.db2.gz AFOIRHBJTRYWNY-UHFFFAOYSA-N -1 0 331.343 3.603 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccccc2Cc2ccccc2)C1 ZINC000262831804 961898482 /nfs/dbraw/zinc/89/84/82/961898482.db2.gz BQAMYHWOMKWUPV-OAQYLSRUSA-N -1 0 337.419 3.604 20 0 EHADRM CN(CCC(=O)[O-])C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC001574007424 961899037 /nfs/dbraw/zinc/89/90/37/961899037.db2.gz GYVWRDPXKXWONJ-QGZVFWFLSA-N -1 0 346.814 3.546 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)Nc2ccc(C(=O)[O-])cc2OC)cc1 ZINC000262867368 961937097 /nfs/dbraw/zinc/93/70/97/961937097.db2.gz FSSWQWKCLBBXLR-LBPRGKRZSA-N -1 0 343.379 3.534 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)Cc1csc2ccc(Cl)cc12 ZINC000262878698 961952285 /nfs/dbraw/zinc/95/22/85/961952285.db2.gz GVMGDALWZJUYAV-LBPRGKRZSA-N -1 0 337.828 3.563 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1ccc(F)cc1 ZINC000262883113 961958023 /nfs/dbraw/zinc/95/80/23/961958023.db2.gz KSTULWIFYUNKGP-SCNOPHJPSA-N -1 0 347.430 3.717 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(F)cc1 ZINC001574549266 961964620 /nfs/dbraw/zinc/96/46/20/961964620.db2.gz YZOFQNBYHCXXCC-HNNXBMFYSA-N -1 0 346.745 3.516 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC001574555755 961981675 /nfs/dbraw/zinc/98/16/75/961981675.db2.gz HAMDKDLDLATIEV-CTASWTNQSA-N -1 0 335.831 3.593 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)CC/C=C/c2ccccc2)C[C@H]1c1ccccc1 ZINC000262902971 961982321 /nfs/dbraw/zinc/98/23/21/961982321.db2.gz MMNDCWYOYFEOQF-ZFYMRNONSA-N -1 0 349.430 3.807 20 0 EHADRM C[C@H](C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000262912523 961992456 /nfs/dbraw/zinc/99/24/56/961992456.db2.gz IVNWGDVXEWJPFA-JBLDHEPKSA-N -1 0 344.238 3.666 20 0 EHADRM Cc1oc(CNC(=O)CCCc2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000262936469 962021036 /nfs/dbraw/zinc/02/10/36/962021036.db2.gz GZJCXYYTUCEUBE-UHFFFAOYSA-N -1 0 335.787 3.579 20 0 EHADRM CC(C)CCOc1ccccc1NC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC001588868101 962039077 /nfs/dbraw/zinc/03/90/77/962039077.db2.gz VWQSCIYCVBGXGV-GJZGRUSLSA-N -1 0 348.443 3.686 20 0 EHADRM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000262969114 962054602 /nfs/dbraw/zinc/05/46/02/962054602.db2.gz MPDPZEISNHHFGF-WTANOLMUSA-N -1 0 348.402 3.646 20 0 EHADRM O=C([O-])C1CCC(NC(=O)Nc2cc(Cl)c(Cl)cc2F)CC1 ZINC000262976495 962065571 /nfs/dbraw/zinc/06/55/71/962065571.db2.gz BIHMOFKJVBVVEK-UHFFFAOYSA-N -1 0 349.189 3.897 20 0 EHADRM CCCc1nc(C)c(C(=O)N(Cc2ccccc2)[C@@H](C)C(=O)[O-])s1 ZINC000263002105 962097284 /nfs/dbraw/zinc/09/72/84/962097284.db2.gz RHHUOCHWMDNCLF-ZDUSSCGKSA-N -1 0 346.452 3.520 20 0 EHADRM CC(C)(C(=O)N1CCC(C(=O)[O-])CC1)c1ccc(Cl)c(Cl)c1 ZINC001340563593 962101445 /nfs/dbraw/zinc/10/14/45/962101445.db2.gz MPFBUCDVPULVBR-UHFFFAOYSA-N -1 0 344.238 3.594 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC001574588626 962121907 /nfs/dbraw/zinc/12/19/07/962121907.db2.gz DYYWIOSGLYWQCA-SJORKVTESA-N -1 0 343.354 3.601 20 0 EHADRM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC001574594487 962143221 /nfs/dbraw/zinc/14/32/21/962143221.db2.gz YAIIEBLQYXQACM-MQMHXKEQSA-N -1 0 345.782 3.725 20 0 EHADRM CC(C)c1cccc(-c2ccc(C(=O)N3CC[C@H](C(=O)[O-])C3)o2)c1 ZINC000263031245 962144866 /nfs/dbraw/zinc/14/48/66/962144866.db2.gz ZLIUMPAGWHJMJB-HNNXBMFYSA-N -1 0 327.380 3.617 20 0 EHADRM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)CCCCCc1cccs1 ZINC000263040012 962161921 /nfs/dbraw/zinc/16/19/21/962161921.db2.gz RJUCSFSHSCDEEP-KMFMINBZSA-N -1 0 335.469 3.563 20 0 EHADRM CC(C)C[C@H](CNC(=O)NCC1(CC(C)C)CCC1)CC(=O)[O-] ZINC001588892688 962209439 /nfs/dbraw/zinc/20/94/39/962209439.db2.gz ZIYYGDACYVZYCK-HNNXBMFYSA-N -1 0 326.481 3.639 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000263077330 962219905 /nfs/dbraw/zinc/21/99/05/962219905.db2.gz UOZOYBQDXYJZJB-LSDHHAIUSA-N -1 0 347.480 3.928 20 0 EHADRM COc1cc(C)c(NC(=O)NCc2ccc(C(=O)[O-])cc2)c(C)c1C ZINC000263076822 962220140 /nfs/dbraw/zinc/22/01/40/962220140.db2.gz QSDXLZSNWDOCFU-UHFFFAOYSA-N -1 0 342.395 3.640 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001345075812 962219965 /nfs/dbraw/zinc/21/99/65/962219965.db2.gz BTNAXSXLCXRJPF-QGZVFWFLSA-N -1 0 327.380 3.798 20 0 EHADRM CC[C@](CNC(=O)c1ccccc1SC)(C(=O)[O-])c1ccccc1 ZINC000263090287 962238857 /nfs/dbraw/zinc/23/88/57/962238857.db2.gz VNLYIIAFYBDHSJ-LJQANCHMSA-N -1 0 343.448 3.571 20 0 EHADRM CC(C)C[C@H](NC(=O)[C@@H](OCC1CCCC1)c1ccccc1)C(=O)[O-] ZINC001588899133 962242620 /nfs/dbraw/zinc/24/26/20/962242620.db2.gz HTNQVSNAQOJYTP-ROUUACIJSA-N -1 0 347.455 3.550 20 0 EHADRM CC[C@@](CNC(=O)CCCc1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000263111286 962263209 /nfs/dbraw/zinc/26/32/09/962263209.db2.gz XGNBZCXYZCAJJP-NRFANRHFSA-N -1 0 339.435 3.558 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC001588906343 962280618 /nfs/dbraw/zinc/28/06/18/962280618.db2.gz ZYAXQDCLONWMQP-MPGHIAIKSA-N -1 0 331.456 3.558 20 0 EHADRM O=C([O-])C1(C(=O)NC[C@@H]2CCCc3ccccc32)CCCCCC1 ZINC001574629887 962295387 /nfs/dbraw/zinc/29/53/87/962295387.db2.gz HYFXLZFJZZWPAJ-INIZCTEOSA-N -1 0 329.440 3.648 20 0 EHADRM CC(C)Cn1cc(C(=O)Nc2ccnc(C(=O)[O-])c2)c2ccccc21 ZINC001588910934 962296023 /nfs/dbraw/zinc/29/60/23/962296023.db2.gz LEBALOWZPSYJIP-UHFFFAOYSA-N -1 0 337.379 3.643 20 0 EHADRM Cc1cc(C)c(C(=O)N[C@@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])o1 ZINC000263162069 962313703 /nfs/dbraw/zinc/31/37/03/962313703.db2.gz VNIFHSQXKZRKLK-WBVHZDCISA-N -1 0 341.407 3.590 20 0 EHADRM Cc1cc(C)c(C(=O)N[C@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])o1 ZINC000263162067 962313991 /nfs/dbraw/zinc/31/39/91/962313991.db2.gz VNIFHSQXKZRKLK-NVXWUHKLSA-N -1 0 341.407 3.590 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccccc1Sc1ccccc1 ZINC000263172813 962326281 /nfs/dbraw/zinc/32/62/81/962326281.db2.gz KVTHNCOOWNLIHP-UKRRQHHQSA-N -1 0 341.432 3.773 20 0 EHADRM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000263188759 962344490 /nfs/dbraw/zinc/34/44/90/962344490.db2.gz IGBYBXCVMKHWMS-WDEREUQCSA-N -1 0 330.384 3.612 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000263203761 962358635 /nfs/dbraw/zinc/35/86/35/962358635.db2.gz KJNLMMFKMBTLGO-STQMWFEESA-N -1 0 329.371 3.831 20 0 EHADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)CCCc1csc2ccccc12 ZINC000263239301 962384176 /nfs/dbraw/zinc/38/41/76/962384176.db2.gz TVNMRUJXAULNCX-JSGCOSHPSA-N -1 0 331.437 3.546 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2cccc(C(F)F)c2)C[C@@H]1c1ccccc1 ZINC000263237150 962384295 /nfs/dbraw/zinc/38/42/95/962384295.db2.gz SUJBXYWHURTCET-HZPDHXFCSA-N -1 0 345.345 3.565 20 0 EHADRM O=C([O-])CCCCC(=O)NC1(c2ccc(F)cc2F)CCCCC1 ZINC000263242055 962387728 /nfs/dbraw/zinc/38/77/28/962387728.db2.gz CLWBDSXQTGFLIB-UHFFFAOYSA-N -1 0 339.382 3.885 20 0 EHADRM COc1c(C)cc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1C ZINC000263263814 962402630 /nfs/dbraw/zinc/40/26/30/962402630.db2.gz KGCNSQAZZWVCFV-UHFFFAOYSA-N -1 0 341.407 3.927 20 0 EHADRM C[C@@H](NC(=O)N1CC[C@H](C(=O)[O-])C1)c1ccc(Cl)c2ccccc21 ZINC000263274862 962414995 /nfs/dbraw/zinc/41/49/95/962414995.db2.gz SBYSENAXSSTICH-NEPJUHHUSA-N -1 0 346.814 3.670 20 0 EHADRM Cc1ccc2c(c1)S[C@@H](C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1)C2 ZINC001348492441 962448900 /nfs/dbraw/zinc/44/89/00/962448900.db2.gz KRDFSQOCGROZMW-YVEFUNNKSA-N -1 0 341.432 3.839 20 0 EHADRM Cc1cccc(C2(CNC(=O)CCCCC(=O)[O-])CCCCC2)c1 ZINC000263321291 962462704 /nfs/dbraw/zinc/46/27/04/962462704.db2.gz RLRSJNBLYBZZAY-UHFFFAOYSA-N -1 0 331.456 3.958 20 0 EHADRM C[C@@H]1CCN(C(=O)Cc2ccc(C(=O)[O-])cc2)[C@H]1c1cccc(F)c1 ZINC000263333555 962481287 /nfs/dbraw/zinc/48/12/87/962481287.db2.gz MUJRTGFNRRKTLJ-BFUOFWGJSA-N -1 0 341.382 3.676 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)N2CCCSc3ccccc32)co1 ZINC001574665379 962500557 /nfs/dbraw/zinc/50/05/57/962500557.db2.gz FTGFPLQXZRPBPZ-SREVYHEPSA-N -1 0 329.377 3.520 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)Nc2ccc3nc(C4CC4)oc3c2)co1 ZINC001574668130 962529704 /nfs/dbraw/zinc/52/97/04/962529704.db2.gz VRFWQSGWKUYTEE-GQCTYLIASA-N -1 0 338.319 3.648 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000263371566 962530422 /nfs/dbraw/zinc/53/04/22/962530422.db2.gz YKRVAHWRMIQNAQ-OLZOCXBDSA-N -1 0 341.382 3.601 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN1C(=O)Cc1csc2ccc(Cl)cc12 ZINC000263389156 962549274 /nfs/dbraw/zinc/54/92/74/962549274.db2.gz CNVFUNSCCHBJTM-INIZCTEOSA-N -1 0 337.828 3.563 20 0 EHADRM CC[C@H](Nc1cccc(C(=O)[O-])n1)c1nc(C(F)(F)F)cs1 ZINC000263396440 962557118 /nfs/dbraw/zinc/55/71/18/962557118.db2.gz HTCDOCXDINUCCV-ZETCQYMHSA-N -1 0 331.319 3.818 20 0 EHADRM O=C([O-])C1(CNC(=O)c2ccc(CSc3ccccc3)cc2)CC1 ZINC000263419101 962590595 /nfs/dbraw/zinc/59/05/95/962590595.db2.gz ILPWWOAIZHMKIO-UHFFFAOYSA-N -1 0 341.432 3.574 20 0 EHADRM CCC[C@@H](CCc1ccccc1)NC(=O)c1c(C)coc1CC(=O)[O-] ZINC000263429057 962603987 /nfs/dbraw/zinc/60/39/87/962603987.db2.gz MXKHYAWACBGZBK-INIZCTEOSA-N -1 0 343.423 3.746 20 0 EHADRM CC(C)[C@H](NC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2)C(=O)[O-] ZINC001588957979 962605440 /nfs/dbraw/zinc/60/54/40/962605440.db2.gz KNHJCKBWMPLWPS-WFASDCNBSA-N -1 0 337.485 3.738 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)Nc1cccnc1C(=O)[O-])CC2 ZINC001588968591 962657894 /nfs/dbraw/zinc/65/78/94/962657894.db2.gz MKISKHSMDRWUGC-HNNXBMFYSA-N -1 0 339.395 3.712 20 0 EHADRM CC(C)c1cccc2c1CCN(C(=O)[C@H](C(=O)[O-])C1CCCC1)C2 ZINC001588969899 962666223 /nfs/dbraw/zinc/66/62/23/962666223.db2.gz TXFODBYPOMPREE-GOSISDBHSA-N -1 0 329.440 3.586 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1c(-c2cccs2)nc2ccccn21 ZINC001574699866 962678298 /nfs/dbraw/zinc/67/82/98/962678298.db2.gz XPMIHYVIQNYQOG-UHFFFAOYSA-N -1 0 343.408 3.646 20 0 EHADRM CN(C)c1ccc(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)cc1 ZINC001353986190 962689653 /nfs/dbraw/zinc/68/96/53/962689653.db2.gz BDIOSRAXCHSENR-UHFFFAOYSA-N -1 0 340.404 3.918 20 0 EHADRM CC(C)c1nc2cc(NC(=O)N3C[C@H](C(=O)[O-])CC[C@@H]3C)ccc2o1 ZINC001588975640 962693732 /nfs/dbraw/zinc/69/37/32/962693732.db2.gz YXFIBUAYJRZCLQ-NWDGAFQWSA-N -1 0 345.399 3.668 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000263521227 962703064 /nfs/dbraw/zinc/70/30/64/962703064.db2.gz HJXNOMYHJDREPQ-APAFKAMOSA-N -1 0 341.451 3.672 20 0 EHADRM CC(C)c1ccoc1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000263544300 962719118 /nfs/dbraw/zinc/71/91/18/962719118.db2.gz SJUHLBCQKDOLJN-UHFFFAOYSA-N -1 0 331.368 3.899 20 0 EHADRM CC(C)c1noc(-c2ccc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc2)n1 ZINC001588981088 962725818 /nfs/dbraw/zinc/72/58/18/962725818.db2.gz CMEVVQLLNUGHRI-CYBMUJFWSA-N -1 0 345.399 3.545 20 0 EHADRM COc1cc(Cl)c(NC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)cc1C ZINC001574185684 962830844 /nfs/dbraw/zinc/83/08/44/962830844.db2.gz ZETALBINRJAQQC-UHFFFAOYSA-N -1 0 339.819 3.733 20 0 EHADRM O=C([O-])c1ccccc1CCNC(=O)N[C@@H]1CCCC12CCCCC2 ZINC000313040509 963614743 /nfs/dbraw/zinc/61/47/43/963614743.db2.gz XCLJLOXWEMSXDK-QGZVFWFLSA-N -1 0 344.455 3.730 20 0 EHADRM C[C@@H](NCc1ccsc1Br)c1ncc(C(=O)[O-])s1 ZINC000315431945 963900247 /nfs/dbraw/zinc/90/02/47/963900247.db2.gz WEUAAPBIFKQWJC-ZCFIWIBFSA-N -1 0 347.259 3.516 20 0 EHADRM O=C([O-])c1ccc(Cl)cc1NC(=O)N1CCc2sccc2C1 ZINC000316089903 963975627 /nfs/dbraw/zinc/97/56/27/963975627.db2.gz LRRDKJSAGFCSLD-UHFFFAOYSA-N -1 0 336.800 3.690 20 0 EHADRM CC[C@@H](CNC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000316448909 964013376 /nfs/dbraw/zinc/01/33/76/964013376.db2.gz FWLISSDFZLLATF-ZETCQYMHSA-N -1 0 338.713 3.591 20 0 EHADRM Cc1c(NC(=O)c2cc(F)c(Cl)cc2F)cccc1C(=O)[O-] ZINC000317013478 964086933 /nfs/dbraw/zinc/08/69/33/964086933.db2.gz WVCUMDZPCWOAEJ-UHFFFAOYSA-N -1 0 325.698 3.877 20 0 EHADRM CC(C)C[C@H](NC(=O)c1ccc(SC(F)(F)F)cc1)C(=O)[O-] ZINC000236626253 967779462 /nfs/dbraw/zinc/77/94/62/967779462.db2.gz MEYCKLOTNSJWFY-NSHDSACASA-N -1 0 335.347 3.528 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc3c(s2)CCCCCC3)CC[C@H]1C(=O)[O-] ZINC000261843504 967806727 /nfs/dbraw/zinc/80/67/27/967806727.db2.gz IXQIJYQOBCGYKM-TZMCWYRMSA-N -1 0 335.469 3.590 20 0 EHADRM Cc1cccc(C2(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CCCCC2)c1 ZINC000262704621 967826007 /nfs/dbraw/zinc/82/60/07/967826007.db2.gz JBAUFELVRNSQOK-WBVHZDCISA-N -1 0 329.440 3.566 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263135162 967852289 /nfs/dbraw/zinc/85/22/89/967852289.db2.gz DEFPCNVGDUXHEL-MNOVXSKESA-N -1 0 341.860 3.635 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)CC2CC(c3ccccc3)C2)C1 ZINC000263315393 967870177 /nfs/dbraw/zinc/87/01/77/967870177.db2.gz HNDDKDNNAYXRAB-KLHKWILBSA-N -1 0 329.440 3.674 20 0 EHADRM O=C([O-])c1ccccc1OCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000319515248 968000709 /nfs/dbraw/zinc/00/07/09/968000709.db2.gz DVEIWEWIXAVCSR-UHFFFAOYSA-N -1 0 330.727 3.667 20 0 EHADRM CSc1ccc(C(=O)N2CCCc3cc(C(=O)[O-])ccc32)cc1 ZINC000320701053 968008526 /nfs/dbraw/zinc/00/85/26/968008526.db2.gz RUKNPFJABJCEGV-UHFFFAOYSA-N -1 0 327.405 3.700 20 0 EHADRM CC(C)(C)c1ccc(SCC(=O)N2CCCC[C@H]2C(=O)[O-])cc1 ZINC000350730610 968054396 /nfs/dbraw/zinc/05/43/96/968054396.db2.gz TYADJURREKMQIM-HNNXBMFYSA-N -1 0 335.469 3.542 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc3c(c2)CCCCC3)C1 ZINC000404589636 968326727 /nfs/dbraw/zinc/32/67/27/968326727.db2.gz WQEWTHIOPOXRGZ-BBRMVZONSA-N -1 0 330.428 3.530 20 0 EHADRM CC[C@H](NC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000567468166 968432809 /nfs/dbraw/zinc/43/28/09/968432809.db2.gz BDADXURYMVLTSQ-UGFHNGPFSA-N -1 0 338.835 3.543 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)C[C@H]1C(=O)[O-] ZINC000567879358 968436090 /nfs/dbraw/zinc/43/60/90/968436090.db2.gz RSTUJKSFOQOLFC-PRHODGIISA-N -1 0 349.736 3.542 20 0 EHADRM Cc1ccc(NC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1C(F)(F)F ZINC000580193386 968472874 /nfs/dbraw/zinc/47/28/74/968472874.db2.gz ZMQXEQQKCWOMIJ-CABZTGNLSA-N -1 0 344.333 3.588 20 0 EHADRM CCSCc1ccc(NC(=O)N2CCC(C)(C(=O)[O-])CC2)cc1 ZINC000592466578 968488837 /nfs/dbraw/zinc/48/88/37/968488837.db2.gz QQHQCHLMLLYXIJ-UHFFFAOYSA-N -1 0 336.457 3.658 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)c1c(F)ccc(F)c1Cl)C(=O)[O-] ZINC000621706451 968511983 /nfs/dbraw/zinc/51/19/83/968511983.db2.gz UTFXWHMNMMICTR-JTQLQIEISA-N -1 0 333.762 3.628 20 0 EHADRM C[C@H](c1ncc(C(C)(C)C)o1)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000652470364 968634517 /nfs/dbraw/zinc/63/45/17/968634517.db2.gz VJFHHDNZTNQXHC-IUODEOHRSA-N -1 0 328.412 3.717 20 0 EHADRM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000655567393 968681776 /nfs/dbraw/zinc/68/17/76/968681776.db2.gz NMJZNMFYMGJNNQ-GOEBONIOSA-N -1 0 334.460 3.538 20 0 EHADRM C[C@@H](C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccc(Cl)cc1 ZINC000655574221 968683638 /nfs/dbraw/zinc/68/36/38/968683638.db2.gz LVUMHQWVEGELGX-HKCMKHECSA-N -1 0 337.847 3.695 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)C3(C(=O)[O-])CC=CC3)ccc21 ZINC000663110305 968814796 /nfs/dbraw/zinc/81/47/96/968814796.db2.gz LESNNSODGBFJSU-UHFFFAOYSA-N -1 0 326.396 3.657 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Nc1ccccc1OCC1CC1 ZINC000899311918 969419064 /nfs/dbraw/zinc/41/90/64/969419064.db2.gz SNYCWWRTQDRAPX-OAHLLOKOSA-N -1 0 346.427 3.727 20 0 EHADRM O=C([O-])C1CCN(C(=O)c2sc3cccc(F)c3c2Cl)CC1 ZINC000901430617 969428124 /nfs/dbraw/zinc/42/81/24/969428124.db2.gz ULULTXOBLXJFAV-UHFFFAOYSA-N -1 0 341.791 3.631 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1nc(COc2ccccc2)cs1 ZINC000902378857 969538484 /nfs/dbraw/zinc/53/84/84/969538484.db2.gz AYRFZGTTXWYLEF-UHFFFAOYSA-N -1 0 348.424 3.552 20 0 EHADRM C[C@@H]1CC=CC[C@H]1NC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001340573409 969745938 /nfs/dbraw/zinc/74/59/38/969745938.db2.gz ZOKSYODCWUZUNS-RDTXWAMCSA-N -1 0 342.439 3.629 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)c1ccc(Cn2cccc2)cc1)C(=O)[O-] ZINC001588647862 969892327 /nfs/dbraw/zinc/89/23/27/969892327.db2.gz IHRGHCSALTZCSQ-KRWDZBQOSA-N -1 0 342.439 3.546 20 0 EHADRM O=C([O-])c1cccc(NC(=O)[C@H]2[C@@H]3c4ccc(Cl)cc4C[C@H]23)c1 ZINC001595249134 970335690 /nfs/dbraw/zinc/33/56/90/970335690.db2.gz XONVHFIEAJBAQG-ARFHVFGLSA-N -1 0 327.767 3.563 20 0 EHADRM COc1cc(NC(=O)c2cc3sccc3s2)ccc1C(=O)[O-] ZINC000318937754 970490795 /nfs/dbraw/zinc/49/07/95/970490795.db2.gz RECNPGWIFNMDHK-UHFFFAOYSA-N -1 0 333.390 3.922 20 0 EHADRM O=C([O-])C1(NC(=O)c2ccccc2C(F)(F)F)CCCCCC1 ZINC000320089395 970612615 /nfs/dbraw/zinc/61/26/15/970612615.db2.gz YXASZBANGRBABZ-UHFFFAOYSA-N -1 0 329.318 3.613 20 0 EHADRM CC(C)CN(CC(C)C)C(=O)COc1ccc(Cl)cc1C(=O)[O-] ZINC000320446616 970665079 /nfs/dbraw/zinc/66/50/79/970665079.db2.gz JDHXSZJHMXQSOL-UHFFFAOYSA-N -1 0 341.835 3.558 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)[C@H]1CCCC(F)(F)C1)c1ccccc1 ZINC000320592584 970683575 /nfs/dbraw/zinc/68/35/75/970683575.db2.gz QRHFWGMBARMLNE-KBPBESRZSA-N -1 0 325.355 3.534 20 0 EHADRM CCOc1ccc2[nH]c(Sc3ncc(C(=O)[O-])cc3Cl)nc2c1 ZINC000320672491 970696255 /nfs/dbraw/zinc/69/62/55/970696255.db2.gz NKWYKBWGCPEHMP-UHFFFAOYSA-N -1 0 349.799 3.859 20 0 EHADRM C[C@@H](Oc1cccc(F)c1)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000320741782 970709857 /nfs/dbraw/zinc/70/98/57/970709857.db2.gz YXDUWRXNXZELRQ-SECBINFHSA-N -1 0 337.734 3.583 20 0 EHADRM CCN(C(=O)N[C@@H](C)CC(=O)[O-])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001610270473 970711068 /nfs/dbraw/zinc/71/10/68/970711068.db2.gz BMQZQSWJRMVJSB-WDEREUQCSA-N -1 0 346.349 3.661 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)s1 ZINC000320856441 970723054 /nfs/dbraw/zinc/72/30/54/970723054.db2.gz PTURCRUSMKULKC-MRVPVSSYSA-N -1 0 340.351 3.916 20 0 EHADRM CN(CCC(=O)[O-])C(=O)NCc1ccccc1-c1ccc(Cl)cc1 ZINC001604143337 972550698 /nfs/dbraw/zinc/55/06/98/972550698.db2.gz BAKPWGVPFDRDLL-UHFFFAOYSA-N -1 0 346.814 3.623 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2c(ccnc2Cl)s1)c1ccccc1 ZINC001605825596 972561472 /nfs/dbraw/zinc/56/14/72/972561472.db2.gz RCYOVWXZRGJLFE-ZDUSSCGKSA-N -1 0 346.795 3.505 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)c1cc(F)c(Cl)cc1Cl ZINC001604999333 972598285 /nfs/dbraw/zinc/59/82/85/972598285.db2.gz KQLYKOBEOKSGQL-JMCQJSRRSA-N -1 0 334.174 3.600 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)NC2(C3CC3)CCC2)c1Cl ZINC001605851815 972598879 /nfs/dbraw/zinc/59/88/79/972598879.db2.gz UHALJCKYOGRQPQ-UHFFFAOYSA-N -1 0 326.755 3.632 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(Oc2ccccc2Cl)cc1)C(=O)[O-] ZINC001605042689 972660158 /nfs/dbraw/zinc/66/01/58/972660158.db2.gz HZZVBOKOTRVKHT-JTQLQIEISA-N -1 0 334.759 3.727 20 0 EHADRM O=C([O-])c1c(NC(=O)c2cc3ccccc3o2)sc2c1CCOC2 ZINC001605878853 972662737 /nfs/dbraw/zinc/66/27/37/972662737.db2.gz QKUDLZBDMCZDCN-UHFFFAOYSA-N -1 0 343.360 3.518 20 0 EHADRM CSCC1CCC(NC(=O)Nc2ccc(C)c(C(=O)[O-])c2)CC1 ZINC000395315205 972787545 /nfs/dbraw/zinc/78/75/45/972787545.db2.gz ISGFUEZCFHAXBT-UHFFFAOYSA-N -1 0 336.457 3.737 20 0 EHADRM Cc1cc([C@H](NC(=O)[C@H](C)C(=O)[O-])c2ccccc2Cl)ccc1F ZINC001605145357 972822635 /nfs/dbraw/zinc/82/26/35/972822635.db2.gz AJKCHAASIXGYKA-ZBEGNZNMSA-N -1 0 349.789 3.714 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc(OCC(F)(F)F)c2)CCCCC1 ZINC001605942036 972887664 /nfs/dbraw/zinc/88/76/64/972887664.db2.gz GXIZNIOBXPGHQY-UHFFFAOYSA-N -1 0 345.317 3.601 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc(OCCc3ccccc3)c2)CCC1 ZINC001605941906 972887680 /nfs/dbraw/zinc/88/76/80/972887680.db2.gz DKWKVOWDLCHHAO-UHFFFAOYSA-N -1 0 339.391 3.502 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)C1 ZINC001603375227 972919611 /nfs/dbraw/zinc/91/96/11/972919611.db2.gz MZRPGMMZVSJGCL-NCLAMWEWSA-N -1 0 329.440 3.576 20 0 EHADRM COc1ccc(Cl)cc1CC(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000396598501 972920435 /nfs/dbraw/zinc/92/04/35/972920435.db2.gz CIPVVFWGZNVLFA-LLVKDONJSA-N -1 0 347.798 3.718 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cc1 ZINC000396626757 972924457 /nfs/dbraw/zinc/92/44/57/972924457.db2.gz LUAKJKLHSHRHAA-HNNXBMFYSA-N -1 0 341.407 3.981 20 0 EHADRM Cc1cc(Nc2ccc3nnc(-c4ccccc4)n3n2)ccc1C(=O)[O-] ZINC001605213604 972958418 /nfs/dbraw/zinc/95/84/18/972958418.db2.gz XNTUAJGKCQWREX-UHFFFAOYSA-N -1 0 345.362 3.542 20 0 EHADRM O=C([O-])[C@H]1C[C@H](NC(=O)N2CCC3(C2)CCCCC3)c2ccccc21 ZINC001605976613 973000656 /nfs/dbraw/zinc/00/06/56/973000656.db2.gz DYDYDYBNAIQIFF-IRXDYDNUSA-N -1 0 342.439 3.665 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1c1nc(Cc2c(Cl)cccc2Cl)no1 ZINC000397501411 973005191 /nfs/dbraw/zinc/00/51/91/973005191.db2.gz SCQJZFQOUROOFO-JGVFFNPUSA-N -1 0 327.167 3.545 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001603392854 973020783 /nfs/dbraw/zinc/02/07/83/973020783.db2.gz WPKJAJODHZWIDF-UWWQBHOKSA-N -1 0 347.455 3.588 20 0 EHADRM Cc1ccc(C(C)(C)CNC(=O)[C@]2(C(=O)[O-])CC=CCC2)c(C)c1 ZINC001605256459 973027041 /nfs/dbraw/zinc/02/70/41/973027041.db2.gz WDXCOHWJNIEEOF-FQEVSTJZSA-N -1 0 329.440 3.508 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001605256590 973027734 /nfs/dbraw/zinc/02/77/34/973027734.db2.gz YCZNOVNTJBOIAJ-ZDUSSCGKSA-N -1 0 342.395 3.618 20 0 EHADRM Cc1ccc(N(CC(C)C)C(=O)c2ccc(C(=O)[O-])nc2)c(C)c1 ZINC001605284514 973081980 /nfs/dbraw/zinc/08/19/80/973081980.db2.gz FBTPPYXZYZQSFK-UHFFFAOYSA-N -1 0 326.396 3.699 20 0 EHADRM C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001603416409 973114514 /nfs/dbraw/zinc/11/45/14/973114514.db2.gz OTMSBZFSIXKEIQ-YVEFUNNKSA-N -1 0 339.395 3.615 20 0 EHADRM Cc1ccc2c(c1)[C@@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)[C@H](C)C2 ZINC001605314587 973140902 /nfs/dbraw/zinc/14/09/02/973140902.db2.gz XUVWWAITTHEEKM-YJYMSZOUSA-N -1 0 338.407 3.677 20 0 EHADRM C[C@@H](c1ccc(C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc1)C(F)(F)F ZINC001603425106 973143203 /nfs/dbraw/zinc/14/32/03/973143203.db2.gz DPDWVAOTTXYPPI-UHIISALHSA-N -1 0 343.345 3.535 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC001605320169 973152364 /nfs/dbraw/zinc/15/23/64/973152364.db2.gz BELLHPXJDHALHS-NWDGAFQWSA-N -1 0 331.318 3.714 20 0 EHADRM Cc1cccc([C@H](NC(=O)C[C@H](C)c2cccc(F)c2)C(=O)[O-])c1 ZINC001605327724 973171115 /nfs/dbraw/zinc/17/11/15/973171115.db2.gz GLBDGPUUQBMKFJ-UGSOOPFHSA-N -1 0 329.371 3.570 20 0 EHADRM Cc1cccc([C@@H](NCc2cc(Br)cs2)C(=O)[O-])c1 ZINC001605328518 973184277 /nfs/dbraw/zinc/18/42/77/973184277.db2.gz BFAULUJXBRANIB-CYBMUJFWSA-N -1 0 340.242 3.735 20 0 EHADRM C[C@@H]1CCc2c(sc(NC(=O)/C=C\c3cccnc3)c2C(=O)[O-])C1 ZINC001603434013 973195644 /nfs/dbraw/zinc/19/56/44/973195644.db2.gz LUYZMGRHZIJYAH-JPVGGKMYSA-N -1 0 342.420 3.618 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2ccc3c(c2)C=CC2(CCC2)O3)CCC1 ZINC001606079955 973238486 /nfs/dbraw/zinc/23/84/86/973238486.db2.gz RXBRCMDDLVUQPJ-UHFFFAOYSA-N -1 0 342.395 3.534 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)CCSc1ccccc1Cl)C(=O)[O-] ZINC000400483610 973288177 /nfs/dbraw/zinc/28/81/77/973288177.db2.gz DXTXAAOIQBBWAL-YPMHNXCESA-N -1 0 343.876 3.828 20 0 EHADRM CC(C)=CCC[C@H](C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000400756698 973312681 /nfs/dbraw/zinc/31/26/81/973312681.db2.gz GCWOZUDQBGMKQR-YJBOKZPZSA-N -1 0 329.440 3.797 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000401347113 973358030 /nfs/dbraw/zinc/35/80/30/973358030.db2.gz NGWMQWFAISRKDY-LBPRGKRZSA-N -1 0 332.227 3.542 20 0 EHADRM C[C@@H]1Cc2c(C(=O)[O-])c(NC(=O)CCc3ccoc3)sc2[C@H](C)O1 ZINC001603475104 973362068 /nfs/dbraw/zinc/36/20/68/973362068.db2.gz JEUMOUZDDYGTMF-ZJUUUORDSA-N -1 0 349.408 3.633 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)CCSc1ccc(Cl)cc1)C(=O)[O-] ZINC000401430493 973364599 /nfs/dbraw/zinc/36/45/99/973364599.db2.gz HXTFXVVKHHYBCK-ZDUSSCGKSA-N -1 0 343.876 3.828 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000401466811 973367140 /nfs/dbraw/zinc/36/71/40/973367140.db2.gz YHAIFFBYIAGKGT-QGZVFWFLSA-N -1 0 325.408 3.973 20 0 EHADRM O=C([O-])CC[C@@H]1Cc2ccccc2N(CCCCCn2cccn2)C1 ZINC001606135607 973381957 /nfs/dbraw/zinc/38/19/57/973381957.db2.gz IDIHGHOWPYOBGE-QGZVFWFLSA-N -1 0 341.455 3.597 20 0 EHADRM Cc1nc(Cl)ccc1NCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001605408024 973402565 /nfs/dbraw/zinc/40/25/65/973402565.db2.gz CJSFRCODPZQHHR-GFCCVEGCSA-N -1 0 349.818 3.550 20 0 EHADRM Cc1nc(Cl)ccc1NCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001605408025 973402931 /nfs/dbraw/zinc/40/29/31/973402931.db2.gz CJSFRCODPZQHHR-LBPRGKRZSA-N -1 0 349.818 3.550 20 0 EHADRM O=C([O-])CCCCCNC(=O)N1CC2(CCCC2)[C@@H]1c1ccco1 ZINC001606147512 973405250 /nfs/dbraw/zinc/40/52/50/973405250.db2.gz LROIAGWZAPYWLO-INIZCTEOSA-N -1 0 334.416 3.551 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)C(=O)C(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC001603489291 973424361 /nfs/dbraw/zinc/42/43/61/973424361.db2.gz XVNDCOFGQGXYSL-CYBMUJFWSA-N -1 0 345.361 3.596 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)C(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC001603489292 973424590 /nfs/dbraw/zinc/42/45/90/973424590.db2.gz XVNDCOFGQGXYSL-ZDUSSCGKSA-N -1 0 345.361 3.596 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)N2Cc3cc(F)c(F)cc3C2)c1 ZINC001606210005 973455092 /nfs/dbraw/zinc/45/50/92/973455092.db2.gz IMCLWSZUDASXAP-UHFFFAOYSA-N -1 0 346.333 3.530 20 0 EHADRM O=C([O-])CN(C(=O)Cc1cc(Cl)cc2ccccc21)C1CCC1 ZINC001606220172 973472678 /nfs/dbraw/zinc/47/26/78/973472678.db2.gz VBFXABSCNUUOPB-UHFFFAOYSA-N -1 0 331.799 3.501 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)NCc1ccc(OC2CCCC2)cc1 ZINC001603522704 973554714 /nfs/dbraw/zinc/55/47/14/973554714.db2.gz RRTSJPSFZCTYAI-UHFFFAOYSA-N -1 0 333.428 3.515 20 0 EHADRM CCC(CC)(CNC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1)C(=O)[O-] ZINC001603532356 973583054 /nfs/dbraw/zinc/58/30/54/973583054.db2.gz RBIRMBKYRJFVKY-IAGOWNOFSA-N -1 0 331.456 3.653 20 0 EHADRM CC[C@H](CNC(=O)[C@H](CC(C)C)c1ccc(Cl)cc1)C(=O)[O-] ZINC001603550983 973624228 /nfs/dbraw/zinc/62/42/28/973624228.db2.gz XUYRSIJQFSKENK-IUODEOHRSA-N -1 0 325.836 3.697 20 0 EHADRM N#Cc1ccc(NC(=O)NCCCCCCCC(=O)[O-])cc1Cl ZINC000403056916 973659149 /nfs/dbraw/zinc/65/91/49/973659149.db2.gz FUEVTSGKVTWCOS-UHFFFAOYSA-N -1 0 337.807 3.758 20 0 EHADRM CC[C@@H](CSc1ccccc1)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001603575569 973723683 /nfs/dbraw/zinc/72/36/83/973723683.db2.gz VCMMUWXRDFDLTC-HNNXBMFYSA-N -1 0 329.421 3.686 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)c1cscc1Br ZINC000404799094 973750650 /nfs/dbraw/zinc/75/06/50/973750650.db2.gz HIVMBBGDEABHMG-UHFFFAOYSA-N -1 0 348.262 3.666 20 0 EHADRM CC[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1C(C)C)C(=O)[O-] ZINC001603592732 973792878 /nfs/dbraw/zinc/79/28/78/973792878.db2.gz NCEWFYKYHOOWDA-GFCCVEGCSA-N -1 0 340.832 3.586 20 0 EHADRM O=C([O-])[C@H](CNC(=O)Nc1ccc(-c2ccccc2)cc1)CC1CC1 ZINC000405324571 973828439 /nfs/dbraw/zinc/82/84/39/973828439.db2.gz TUNSARQJTGLCKR-KRWDZBQOSA-N -1 0 338.407 3.976 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(C(=O)Nc1ccc3c(c1)CCCCC3)CC2 ZINC000405327254 973830654 /nfs/dbraw/zinc/83/06/54/973830654.db2.gz WEGVQLXNQUVRBH-KRWDZBQOSA-N -1 0 342.439 3.674 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(C(=O)Nc1ccc3sccc3c1)CC2 ZINC000405350394 973840316 /nfs/dbraw/zinc/84/03/16/973840316.db2.gz CAPSNIFNXKDAQN-ZDUSSCGKSA-N -1 0 330.409 3.620 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(OC)c3ccccc23)C1 ZINC001603600994 973847349 /nfs/dbraw/zinc/84/73/49/973847349.db2.gz DXEOVNRRKXWHFO-FQEVSTJZSA-N -1 0 341.407 3.565 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)NCc2ccc(C3CCC3)cc2)C1 ZINC001603602084 973863404 /nfs/dbraw/zinc/86/34/04/973863404.db2.gz ZWJKVWIKHUFREZ-FQEVSTJZSA-N -1 0 344.455 3.741 20 0 EHADRM COc1c(C)ccc(NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1C ZINC001604675401 973868013 /nfs/dbraw/zinc/86/80/13/973868013.db2.gz VPWFPQCFBKPVAB-AWEZNQCLSA-N -1 0 336.432 3.713 20 0 EHADRM CC[C@]1(Cc2ccccc2)CCCN1C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC001603617146 973899585 /nfs/dbraw/zinc/89/95/85/973899585.db2.gz PXRJTWDFSBBPHD-YLJYHZDGSA-N -1 0 346.471 3.540 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)N2C[C@H]3CCCC[C@H]32)c1Cl ZINC001606459024 973904860 /nfs/dbraw/zinc/90/48/60/973904860.db2.gz QIJJBEPLGSSIHI-LDYMZIIASA-N -1 0 326.755 3.584 20 0 EHADRM CCC1CCC(CNC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1 ZINC001603618602 973908870 /nfs/dbraw/zinc/90/88/70/973908870.db2.gz SBAPWXYKABKWSJ-NXSPZCGBSA-N -1 0 338.492 3.637 20 0 EHADRM Cc1cc(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c(C)n1C1CC1 ZINC000414447551 973939937 /nfs/dbraw/zinc/93/99/37/973939937.db2.gz KZHXLTZGSDSRIA-LBPRGKRZSA-N -1 0 326.396 3.880 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)NCCCCCC(=O)[O-] ZINC000414625165 973942316 /nfs/dbraw/zinc/94/23/16/973942316.db2.gz YKGQYMCEPBXTBE-ZDUSSCGKSA-N -1 0 332.400 3.746 20 0 EHADRM O=C([O-])CCCCCNC(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000414636015 973945630 /nfs/dbraw/zinc/94/56/30/973945630.db2.gz CYJBMCJWDJRNDE-CTYIDZIISA-N -1 0 338.835 3.530 20 0 EHADRM CCC[C@H](CCc1ccccc1)NC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001603633459 973960470 /nfs/dbraw/zinc/96/04/70/973960470.db2.gz BXIZGQYFIKQALE-YLJYHZDGSA-N -1 0 329.440 3.715 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)NCCCCCC(=O)[O-])cc1 ZINC000417749989 973967175 /nfs/dbraw/zinc/96/71/75/973967175.db2.gz MRYBLKMSRKRTGA-UHFFFAOYSA-N -1 0 334.416 3.682 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N2CCC[C@H]2C2CCCCC2)cc1 ZINC001606489328 973972727 /nfs/dbraw/zinc/97/27/27/973972727.db2.gz XHGJSPOARPPYPN-KRWDZBQOSA-N -1 0 330.428 3.639 20 0 EHADRM CCCCCOc1ccc(OC(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC001603645422 973998162 /nfs/dbraw/zinc/99/81/62/973998162.db2.gz GJUWNUQBBRRVJF-UHFFFAOYSA-N -1 0 329.352 3.568 20 0 EHADRM CCCCN(CC)c1ccc(C(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])cc1 ZINC001603647348 974003872 /nfs/dbraw/zinc/00/38/72/974003872.db2.gz HSEZMKGOHVRQQA-MAUKXSAKSA-N -1 0 346.471 3.638 20 0 EHADRM CCCCN1CCc2ccc(NC(=O)[C@@]3(C(=O)[O-])CC=CCC3)cc21 ZINC001603647337 974004056 /nfs/dbraw/zinc/00/40/56/974004056.db2.gz GUSQXXVMRBLKTL-HXUWFJFHSA-N -1 0 342.439 3.599 20 0 EHADRM CSc1c(F)cc(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])cc1F ZINC000424386699 974025149 /nfs/dbraw/zinc/02/51/49/974025149.db2.gz WCVRKMSADUASLJ-VIFPVBQESA-N -1 0 346.399 3.555 20 0 EHADRM COc1ccc(Cl)cc1NC(=O)C1(C(=O)[O-])CCCCCC1 ZINC001604799370 974035631 /nfs/dbraw/zinc/03/56/31/974035631.db2.gz OHDXHLTVBKXLBK-UHFFFAOYSA-N -1 0 325.792 3.712 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000425250556 974041888 /nfs/dbraw/zinc/04/18/88/974041888.db2.gz WGAJZKUAQDNPFA-HNNXBMFYSA-N -1 0 343.423 3.822 20 0 EHADRM Cc1cc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)ccc1Br ZINC000426700808 974044153 /nfs/dbraw/zinc/04/41/53/974044153.db2.gz UWZMXRGBYHLLON-UHFFFAOYSA-N -1 0 334.213 3.746 20 0 EHADRM O=C([O-])[C@@H](NCc1cnc(-c2ccccc2)s1)c1cccs1 ZINC000426805976 974049484 /nfs/dbraw/zinc/04/94/84/974049484.db2.gz HOGLORJIDNDTPK-AWEZNQCLSA-N -1 0 330.434 3.787 20 0 EHADRM COCc1cc(NC(=O)c2cc(C)n(C3CC3)c2C)cc(C(=O)[O-])c1 ZINC000427676290 974053765 /nfs/dbraw/zinc/05/37/65/974053765.db2.gz FLFAJWVJWJUUCG-UHFFFAOYSA-N -1 0 342.395 3.537 20 0 EHADRM O=C([O-])CCCNC(=O)c1cccc(OCc2cccc(Cl)c2)c1 ZINC000428097425 974060587 /nfs/dbraw/zinc/06/05/87/974060587.db2.gz PJKWXCHYTGDXNV-UHFFFAOYSA-N -1 0 347.798 3.514 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)Cc1cc2c(ccc3ccccc23)o1)C(=O)[O-] ZINC000431459430 974064897 /nfs/dbraw/zinc/06/48/97/974064897.db2.gz UIWBVQLCRHLQGV-BUXKBTBVSA-N -1 0 339.391 3.744 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)Cc1cc2c(ccc3ccccc23)o1)C(=O)[O-] ZINC000431466243 974066396 /nfs/dbraw/zinc/06/63/96/974066396.db2.gz UIWBVQLCRHLQGV-HXPMCKFVSA-N -1 0 339.391 3.744 20 0 EHADRM C[C@@H](CC1CCCC1)C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000432124699 974090416 /nfs/dbraw/zinc/09/04/16/974090416.db2.gz BKUVSYHYXARGTR-MAUKXSAKSA-N -1 0 331.456 3.795 20 0 EHADRM Cc1ccc(Cl)cc1CNC(=O)CCc1ccccc1C(=O)[O-] ZINC000439811500 974110284 /nfs/dbraw/zinc/11/02/84/974110284.db2.gz VJVVRWDRUBHBQH-UHFFFAOYSA-N -1 0 331.799 3.596 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000439920468 974112534 /nfs/dbraw/zinc/11/25/34/974112534.db2.gz MJFJPGWWAYJLSO-MLGOLLRUSA-N -1 0 331.799 3.840 20 0 EHADRM O=C([O-])C1(C(=O)NCC2(c3ccc(Cl)cc3)CCCCC2)CC1 ZINC000440011362 974117050 /nfs/dbraw/zinc/11/70/50/974117050.db2.gz YFPKNSFIBZFMTG-UHFFFAOYSA-N -1 0 335.831 3.523 20 0 EHADRM CC(C)C[C@H](C(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000449142756 974145933 /nfs/dbraw/zinc/14/59/33/974145933.db2.gz UMRRBRRMUSRBCI-AEFFLSMTSA-N -1 0 331.456 3.920 20 0 EHADRM CCCC[C@H](C)C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000455930079 974171284 /nfs/dbraw/zinc/17/12/84/974171284.db2.gz NVMJHTRIPHAFSW-GXFFZTMASA-N -1 0 331.334 3.931 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1coc(Br)c1 ZINC000471986429 974197729 /nfs/dbraw/zinc/19/77/29/974197729.db2.gz QZOYUZFKRMUSKI-UHFFFAOYSA-N -1 0 338.157 3.609 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C1(c2cccc(F)c2)CC1 ZINC000471989136 974199068 /nfs/dbraw/zinc/19/90/68/974199068.db2.gz RKDDZHHAOJTXSH-UHFFFAOYSA-N -1 0 327.355 3.811 20 0 EHADRM COc1ccc(SCC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC000472005016 974199328 /nfs/dbraw/zinc/19/93/28/974199328.db2.gz GBAJTTIILNJGEZ-UHFFFAOYSA-N -1 0 345.420 3.741 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)c(F)c1 ZINC000478830650 974208213 /nfs/dbraw/zinc/20/82/13/974208213.db2.gz UPQGXPQSHRSONO-UHFFFAOYSA-N -1 0 342.351 3.900 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCC2(Sc3ccccc3)CC2)c(F)c1 ZINC000478861282 974213236 /nfs/dbraw/zinc/21/32/36/974213236.db2.gz XOAXZCZBNSNIEV-UHFFFAOYSA-N -1 0 345.395 3.579 20 0 EHADRM Cc1ccc(C(C)(C)C)cc1S([O-])=CC(=O)N1CCCC[C@@H]1C ZINC000107959011 1014184801 /nfs/dbraw/zinc/18/48/01/1014184801.db2.gz XUGFLUYZOZYYSA-NPMXOYFQSA-N -1 0 335.513 3.801 20 0 EHADRM CCN(c1ccc(C)cc1C)S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000516145591 974303748 /nfs/dbraw/zinc/30/37/48/974303748.db2.gz ZNDIUHWKRDKRCA-UHFFFAOYSA-N -1 0 347.436 3.525 20 0 EHADRM CC[C@@H]1CO[C@@H](C)CN1Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000518547145 974324594 /nfs/dbraw/zinc/32/45/94/974324594.db2.gz WUXLZPLBBYNMSR-BLLLJJGKSA-N -1 0 346.452 3.508 20 0 EHADRM Cc1cc([C@@H]2CN(Cc3ccc(C(=O)[O-])c(F)c3)CCO2)ccc1F ZINC000519773909 974334825 /nfs/dbraw/zinc/33/48/25/974334825.db2.gz LNZVLBKTVVGJCI-SFHVURJKSA-N -1 0 347.361 3.545 20 0 EHADRM Cc1ccc(C(C)(C)C)cc1S([O-])=CC(=O)N1CCC(C)CC1 ZINC000107958978 1014185816 /nfs/dbraw/zinc/18/58/16/1014185816.db2.gz AATAMYWGPQBBOI-QHCPKHFHSA-N -1 0 335.513 3.659 20 0 EHADRM O=C([O-])c1ccc(CN2CCc3c(cccc3C(F)(F)F)C2)o1 ZINC000528748716 974352376 /nfs/dbraw/zinc/35/23/76/974352376.db2.gz KMOSLRUJBXAHEM-UHFFFAOYSA-N -1 0 325.286 3.555 20 0 EHADRM CCOc1ccc(C[C@H](C)C(=O)Nc2sccc2C(=O)[O-])cc1 ZINC001603861139 974364341 /nfs/dbraw/zinc/36/43/41/974364341.db2.gz NNZFKNUYZVWGIS-NSHDSACASA-N -1 0 333.409 3.662 20 0 EHADRM CCOc1ccc(OC(C)(C)C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000539606350 974397639 /nfs/dbraw/zinc/39/76/39/974397639.db2.gz XHTSLUGGGQAHSS-UHFFFAOYSA-N -1 0 343.379 3.580 20 0 EHADRM Cc1ccccc1C1(C(=O)NCC2(CC(=O)[O-])CCCCC2)CC1 ZINC000539676601 974399129 /nfs/dbraw/zinc/39/91/29/974399129.db2.gz KSQBOKQVMVXSFV-UHFFFAOYSA-N -1 0 329.440 3.568 20 0 EHADRM O=C([O-])CC1(NC(=O)COc2cccc3ccccc32)CCCCC1 ZINC000540705103 974406809 /nfs/dbraw/zinc/40/68/09/974406809.db2.gz OPHANUJFXBCYAU-UHFFFAOYSA-N -1 0 341.407 3.512 20 0 EHADRM Cc1cccc(OC(F)F)c1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000540773994 974407385 /nfs/dbraw/zinc/40/73/85/974407385.db2.gz KLKKREFVXBCLSD-UHFFFAOYSA-N -1 0 349.333 3.866 20 0 EHADRM Cc1cc(C(=O)NCC2(CC(=O)[O-])CCCCC2)c(Cl)cc1F ZINC000540777588 974409646 /nfs/dbraw/zinc/40/96/46/974409646.db2.gz VGXNNBLGHMZYOZ-UHFFFAOYSA-N -1 0 341.810 3.943 20 0 EHADRM CCc1ccc(Br)c(NC(=O)CCCCC(=O)[O-])c1 ZINC001603969249 974455457 /nfs/dbraw/zinc/45/54/57/974455457.db2.gz DDNUDBHKVLZWLO-UHFFFAOYSA-N -1 0 328.206 3.595 20 0 EHADRM COc1c(Br)cccc1CNc1cccc(C(=O)[O-])c1 ZINC000559980420 974498465 /nfs/dbraw/zinc/49/84/65/974498465.db2.gz NBIAVWMADICZTE-UHFFFAOYSA-N -1 0 336.185 3.768 20 0 EHADRM O=C([O-])C[C@H]1CSCC[N@@H+]1Cc1ccc(Cl)c2ccccc12 ZINC000563278572 974524926 /nfs/dbraw/zinc/52/49/26/974524926.db2.gz SVDSTBALTSPDNY-ZDUSSCGKSA-N -1 0 335.856 3.885 20 0 EHADRM C[C@@H]1CCN(Cc2cc(-c3ccccc3Cl)on2)[C@H](C(=O)[O-])C1 ZINC000563290717 974529956 /nfs/dbraw/zinc/52/99/56/974529956.db2.gz ZUHKAUPHIRFPKA-ABAIWWIYSA-N -1 0 334.803 3.680 20 0 EHADRM COc1cc2c(cc1Cl)CN(Cc1cc(C(=O)[O-])c(C)o1)CC2 ZINC000563457088 974535110 /nfs/dbraw/zinc/53/51/10/974535110.db2.gz ZAOCEVIDVRJYJO-UHFFFAOYSA-N -1 0 335.787 3.507 20 0 EHADRM CN(C(=O)CCC(=O)[O-])[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001604028653 974553608 /nfs/dbraw/zinc/55/36/08/974553608.db2.gz NKBMFJHTBOKLEA-KBPBESRZSA-N -1 0 343.345 3.665 20 0 EHADRM Cc1nc(CN(CC(=O)[O-])Cc2ccc(C(F)(F)F)cc2)cs1 ZINC000565106198 974571609 /nfs/dbraw/zinc/57/16/09/974571609.db2.gz JPYLTOMBNIAPNQ-UHFFFAOYSA-N -1 0 344.358 3.557 20 0 EHADRM CC(C)(C)c1cccc(C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000565224559 974574255 /nfs/dbraw/zinc/57/42/55/974574255.db2.gz IMOROGYBIJRFFG-QGZVFWFLSA-N -1 0 325.408 3.582 20 0 EHADRM O=C([O-])c1cccc(Cl)c1CN1CCO[C@H](c2ccc(F)cc2)C1 ZINC000565599754 974584887 /nfs/dbraw/zinc/58/48/87/974584887.db2.gz ARXQBMILQXRKSU-KRWDZBQOSA-N -1 0 349.789 3.751 20 0 EHADRM CCCOc1cccc2c(N3CCC4(C[C@@H]4C(=O)[O-])CC3)ccnc12 ZINC000566296759 974604639 /nfs/dbraw/zinc/60/46/39/974604639.db2.gz FVEYPOHXVRNCSK-OAHLLOKOSA-N -1 0 340.423 3.715 20 0 EHADRM Cc1sc(N2CC[C@H](C(F)(F)F)C3(CCC3)C2)nc1C(=O)[O-] ZINC000566298299 974605188 /nfs/dbraw/zinc/60/51/88/974605188.db2.gz SKLWOFBCBXLGCG-VIFPVBQESA-N -1 0 334.363 3.709 20 0 EHADRM O=C([O-])[C@@]1(c2ccccc2)CCN(C(=O)CC/C=C/c2ccccc2)C1 ZINC000567504349 974635620 /nfs/dbraw/zinc/63/56/20/974635620.db2.gz KUAXNHNTRNYPKV-NDEHPHGNSA-N -1 0 349.430 3.735 20 0 EHADRM CC(C)(C)[C@@H]1CN(Cc2noc(CCCC(=O)[O-])n2)c2ccccc21 ZINC000568066061 974659201 /nfs/dbraw/zinc/65/92/01/974659201.db2.gz OITRVYPZKRFDOQ-CQSZACIVSA-N -1 0 343.427 3.627 20 0 EHADRM COc1cccc2c1ncc(C)c2N1CCC(CCC(=O)[O-])CC1 ZINC000568869272 974679349 /nfs/dbraw/zinc/67/93/49/974679349.db2.gz UKCUKJVRAWGUPS-UHFFFAOYSA-N -1 0 328.412 3.633 20 0 EHADRM Cc1cc(C(=O)N2CCC(C(=O)[O-])CC2)sc1-c1ccccc1 ZINC000570981032 974721915 /nfs/dbraw/zinc/72/19/15/974721915.db2.gz BVEPSWXIIJRBCS-UHFFFAOYSA-N -1 0 329.421 3.660 20 0 EHADRM Cc1cc(F)cc(C)c1C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000572424391 974747911 /nfs/dbraw/zinc/74/79/11/974747911.db2.gz FQUARSQVIPYRSU-CYBMUJFWSA-N -1 0 329.371 3.958 20 0 EHADRM Cc1cc(O[C@H](C)C(=O)Nc2cc(C(=O)[O-])cs2)ccc1Cl ZINC000572556113 974750037 /nfs/dbraw/zinc/75/00/37/974750037.db2.gz MGLXCDWGCNOTBT-SECBINFHSA-N -1 0 339.800 3.814 20 0 EHADRM C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1Cc1cc(C(=O)[O-])co1 ZINC000573572508 974768053 /nfs/dbraw/zinc/76/80/53/974768053.db2.gz ZLLNFZVMWNKRKW-MEDUHNTESA-N -1 0 335.787 3.593 20 0 EHADRM O=C([O-])c1cccc(OCCN2CCc3sc(Cl)cc3C2)c1 ZINC000574645025 974785843 /nfs/dbraw/zinc/78/58/43/974785843.db2.gz QLSJPQGNJOYTQT-UHFFFAOYSA-N -1 0 337.828 3.537 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N(C)[C@@H](C)c2ccccc2)cc1C ZINC000107963517 1014218208 /nfs/dbraw/zinc/21/82/08/1014218208.db2.gz DRJPHGHHVZDKIM-HJPURHCSSA-N -1 0 329.465 3.631 20 0 EHADRM Cc1occc1CN(C)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000578076472 974847332 /nfs/dbraw/zinc/84/73/32/974847332.db2.gz KDUIWLLHDPREDI-AWEZNQCLSA-N -1 0 338.201 3.608 20 0 EHADRM O=C([O-])c1ccc(Nc2cccc3c2COC3=O)cc1C(F)(F)F ZINC001211487915 1014220741 /nfs/dbraw/zinc/22/07/41/1014220741.db2.gz WNHXQLCUHKCMGI-UHFFFAOYSA-N -1 0 337.253 3.818 20 0 EHADRM Cc1oc(CN(C)Cc2nc3ccccc3n2C(F)F)cc1C(=O)[O-] ZINC000581612734 974913198 /nfs/dbraw/zinc/91/31/98/974913198.db2.gz BRBIJCWENYBHHE-UHFFFAOYSA-N -1 0 349.337 3.663 20 0 EHADRM Cc1ccc(-c2nc(C(=O)N(C)[C@@H](CC(C)C)C(=O)[O-])cs2)cc1 ZINC000583576580 974943131 /nfs/dbraw/zinc/94/31/31/974943131.db2.gz VZAYFIRMWKMEDX-HNNXBMFYSA-N -1 0 346.452 3.690 20 0 EHADRM C[C@]1(c2ccccc2)CN([C@H](C(=O)[O-])c2cccc(Cl)c2)CCO1 ZINC000583818160 974946114 /nfs/dbraw/zinc/94/61/14/974946114.db2.gz PJAOFAJYOUFSGP-PKOBYXMFSA-N -1 0 345.826 3.713 20 0 EHADRM Cc1ccc(C)c(S([O-])=CC(=O)N(Cc2ccccc2)C2CC2)c1 ZINC000107964893 1014225763 /nfs/dbraw/zinc/22/57/63/1014225763.db2.gz SOTJNTFGWDAURF-DEOSSOPVSA-N -1 0 341.476 3.602 20 0 EHADRM CCc1cc(C(=O)NCCSCC(=O)[O-])sc1-c1ccccc1 ZINC000594596831 974989547 /nfs/dbraw/zinc/98/95/47/974989547.db2.gz DJKQJZHSXVQMGL-UHFFFAOYSA-N -1 0 349.477 3.525 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)[C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000595244459 974992275 /nfs/dbraw/zinc/99/22/75/974992275.db2.gz ZHRHRDXKHHWQIH-NUEKZKHPSA-N -1 0 333.453 3.769 20 0 EHADRM CC(C)(C)c1ncc(C(=O)N(CCC(=O)[O-])Cc2ccccc2)s1 ZINC000606149472 975016196 /nfs/dbraw/zinc/01/61/96/975016196.db2.gz XYOMWQMITXMUBS-UHFFFAOYSA-N -1 0 346.452 3.558 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cnc(OC(C)C)c(Cl)c1 ZINC000614630344 975021765 /nfs/dbraw/zinc/02/17/65/975021765.db2.gz FYJTZOJPEQERFM-UHFFFAOYSA-N -1 0 348.786 3.781 20 0 EHADRM CC[C@H](C(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000621557733 975031587 /nfs/dbraw/zinc/03/15/87/975031587.db2.gz OELUFMCPKYXXSX-KRWDZBQOSA-N -1 0 327.355 3.560 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2CCCC3(CC3)C2)c(OC(F)F)c1 ZINC000621565291 975032111 /nfs/dbraw/zinc/03/21/11/975032111.db2.gz NEUBRTFHGIVZHM-LLVKDONJSA-N -1 0 339.338 3.895 20 0 EHADRM CCn1c(C)cc(C(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)c1C ZINC000621588240 975045421 /nfs/dbraw/zinc/04/54/21/975045421.db2.gz TXBBOXYVEWBOJT-ROUUACIJSA-N -1 0 340.423 3.555 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC000621589347 975047336 /nfs/dbraw/zinc/04/73/36/975047336.db2.gz TYAXZPLAGDSSFG-MHORFTMASA-N -1 0 327.424 3.630 20 0 EHADRM CC(C)[C@@H](CC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC000621610412 975059278 /nfs/dbraw/zinc/05/92/78/975059278.db2.gz IUFWIGKDLCRIFL-TZMCWYRMSA-N -1 0 346.452 3.848 20 0 EHADRM CCc1ccc(C2CCN(C(=O)NCCCCCC(=O)[O-])CC2)cc1 ZINC000626767042 975070575 /nfs/dbraw/zinc/07/05/75/975070575.db2.gz XWENDUZKAOPDSF-UHFFFAOYSA-N -1 0 346.471 3.783 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000630130614 975115653 /nfs/dbraw/zinc/11/56/53/975115653.db2.gz KPPOOCSSPCJHDL-HYVNUMGLSA-N -1 0 341.794 3.871 20 0 EHADRM Cc1cc(C(=O)N2CCCC[C@H]2Cc2ccc(F)cc2)oc1C(=O)[O-] ZINC000630152219 975131514 /nfs/dbraw/zinc/13/15/14/975131514.db2.gz QHYWCPLSRGJRCF-HNNXBMFYSA-N -1 0 345.370 3.663 20 0 EHADRM O=C([O-])c1csc(NC(=O)[C@H]2[C@@H]3c4cccc(Cl)c4C[C@H]23)c1 ZINC000630162635 975137326 /nfs/dbraw/zinc/13/73/26/975137326.db2.gz NULGKYXCWNVKHR-ZLKJLUDKSA-N -1 0 333.796 3.624 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC000630232049 975179110 /nfs/dbraw/zinc/17/91/10/975179110.db2.gz GJFCHUZOTPYAEW-MRXNPFEDSA-N -1 0 339.435 3.589 20 0 EHADRM CCC1(C(=O)NCc2ccc(CC(=O)[O-])cc2)CCC(F)(F)CC1 ZINC000630232293 975179811 /nfs/dbraw/zinc/17/98/11/975179811.db2.gz IQDZZYLFAQWSOP-UHFFFAOYSA-N -1 0 339.382 3.536 20 0 EHADRM CC1=CC[C@@](C)(C(=O)N2CCC(c3ncc(C(=O)[O-])s3)CC2)CC1 ZINC000630244502 975190623 /nfs/dbraw/zinc/19/06/23/975190623.db2.gz IVHVJILLLMYIPU-GOSISDBHSA-N -1 0 348.468 3.684 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCC2CCCC2)c(OCC(F)F)c1 ZINC000630254816 975197936 /nfs/dbraw/zinc/19/79/36/975197936.db2.gz ANHLSVNQJDBRJN-UHFFFAOYSA-N -1 0 341.354 3.938 20 0 EHADRM CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC000630255198 975198169 /nfs/dbraw/zinc/19/81/69/975198169.db2.gz FMLUSYXAGRHGHO-NXEZZACHSA-N -1 0 329.343 3.649 20 0 EHADRM C[C@H](CC1CCCC1)C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC000630257821 975200411 /nfs/dbraw/zinc/20/04/11/975200411.db2.gz FQRDXGBNVPHUON-VXGBXAGGSA-N -1 0 337.391 3.833 20 0 EHADRM CC1(C)[C@H](c2cccc(F)c2)CCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000630277177 975221891 /nfs/dbraw/zinc/22/18/91/975221891.db2.gz YNZRKGNNGIECTJ-ZDUSSCGKSA-N -1 0 347.411 3.994 20 0 EHADRM Cc1ccc([C@@H]2C[C@H]2C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)cc1C ZINC000630285107 975229871 /nfs/dbraw/zinc/22/98/71/975229871.db2.gz PXSFAUJKGLXBIR-LTFXXXRZSA-N -1 0 341.451 3.509 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC000630287534 975231517 /nfs/dbraw/zinc/23/15/17/975231517.db2.gz YYVDNPBBSPSRAG-NXOAAHMSSA-N -1 0 347.480 3.659 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000630294896 975235249 /nfs/dbraw/zinc/23/52/49/975235249.db2.gz SRAMTLARKVBNOI-AEFFLSMTSA-N -1 0 337.419 3.770 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N2CCCC[C@H]2c2ccc(F)cc2)cc1 ZINC000630296411 975235643 /nfs/dbraw/zinc/23/56/43/975235643.db2.gz CGBXJLZGVWFQAD-SFHVURJKSA-N -1 0 341.382 3.820 20 0 EHADRM Cc1cc(CNC(=O)CSc2ccc(C(C)C)cc2)oc1C(=O)[O-] ZINC000630328880 975256914 /nfs/dbraw/zinc/25/69/14/975256914.db2.gz KWATWGHANYFRKJ-UHFFFAOYSA-N -1 0 347.436 3.818 20 0 EHADRM CC(=O)Nc1cccc(CNc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC000630458594 975265477 /nfs/dbraw/zinc/26/54/77/975265477.db2.gz BUCFMUMQSBWGNH-CYBMUJFWSA-N -1 0 326.396 3.520 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000630553967 975267260 /nfs/dbraw/zinc/26/72/60/975267260.db2.gz PSLKESHFCKKMRH-GXTWGEPZSA-N -1 0 348.443 3.567 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)C2CC(c3ccc(F)cc3)C2)c2ccccc21 ZINC000634803973 975277015 /nfs/dbraw/zinc/27/70/15/975277015.db2.gz RETFSKNUHGFAPB-KVULBXGLSA-N -1 0 339.366 3.534 20 0 EHADRM CCCN(Cc1ccc(OC)cc1)C(=O)c1ccc(C(=O)[O-])s1 ZINC000642040343 975287155 /nfs/dbraw/zinc/28/71/55/975287155.db2.gz DEQDQEUQJQQQBZ-UHFFFAOYSA-N -1 0 333.409 3.507 20 0 EHADRM COCCSc1ccc([C@@H](C)Nc2ccc(C(=O)[O-])cn2)cc1 ZINC000647449757 975362386 /nfs/dbraw/zinc/36/23/86/975362386.db2.gz QGWVVWMPGHWXTR-GFCCVEGCSA-N -1 0 332.425 3.691 20 0 EHADRM Cc1ccc2cc(Cl)cc(C(=O)N3CCC[C@@](C)(C(=O)[O-])C3)c2n1 ZINC000649251737 975390340 /nfs/dbraw/zinc/39/03/40/975390340.db2.gz QTPKBSBWMCUMPZ-GOSISDBHSA-N -1 0 346.814 3.524 20 0 EHADRM CC[C@@H](CNC(=O)c1cc(SC)c(Cl)cc1Cl)C(=O)[O-] ZINC000649264234 975405232 /nfs/dbraw/zinc/40/52/32/975405232.db2.gz VPESLYOSEGRSFH-ZETCQYMHSA-N -1 0 336.240 3.556 20 0 EHADRM C[C@H]1SCC[C@@H]1NC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000649265677 975406236 /nfs/dbraw/zinc/40/62/36/975406236.db2.gz MVAIXXJPOIIBPZ-PXAZEXFGSA-N -1 0 341.432 3.676 20 0 EHADRM CC(C)Oc1ncccc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000460834810 1032088427 /nfs/dbraw/zinc/08/84/27/1032088427.db2.gz WKSVYHXFCNOWDJ-UHFFFAOYSA-N -1 0 334.441 3.793 20 0 EHADRM CC(C)Nc1cc(F)ccc1NC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001591668112 975423510 /nfs/dbraw/zinc/42/35/10/975423510.db2.gz PZWPYOCOQNEQTK-UHFFFAOYSA-N -1 0 330.359 3.525 20 0 EHADRM CC(C)O[C@@H](C(=O)OCc1ccsc1C(=O)[O-])c1ccccc1 ZINC001591687152 975500640 /nfs/dbraw/zinc/50/06/40/975500640.db2.gz WIFDKPISTVWROT-CQSZACIVSA-N -1 0 334.393 3.656 20 0 EHADRM CC(C)O[C@@H]1C[C@H](NC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)C1(C)C ZINC001591695939 975528608 /nfs/dbraw/zinc/52/86/08/975528608.db2.gz NIHCNCBPRCZELG-VBNZEHGJSA-N -1 0 348.443 3.588 20 0 EHADRM C[C@H]1c2cc(Cl)cc(Cl)c2CCN1Cc1oncc1C(=O)[O-] ZINC000652440641 975534227 /nfs/dbraw/zinc/53/42/27/975534227.db2.gz NUEGBMIUDOBUNS-QMMMGPOBSA-N -1 0 341.194 3.799 20 0 EHADRM Cc1ccc(-c2nc(CN3Cc4ccccc4[C@H](C(=O)[O-])C3)co2)cc1 ZINC000652470586 975542452 /nfs/dbraw/zinc/54/24/52/975542452.db2.gz AYMKCOMDVUCZEN-LJQANCHMSA-N -1 0 348.402 3.834 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cccc(CC(=O)[O-])c2)[C@H](c2ccco2)C1 ZINC000653641483 975607686 /nfs/dbraw/zinc/60/76/86/975607686.db2.gz KFKZSZJHQFUZMU-CJNGLKHVSA-N -1 0 327.380 3.520 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N2CCC[C@H]2c2ccccc2Cl)c1 ZINC000653642272 975611217 /nfs/dbraw/zinc/61/12/17/975611217.db2.gz RNSSNJVKNFZKCS-KRWDZBQOSA-N -1 0 343.810 3.944 20 0 EHADRM CC(C)(CCNC(=O)c1ccccc1SCc1ccco1)C(=O)[O-] ZINC000653650398 975616095 /nfs/dbraw/zinc/61/60/95/975616095.db2.gz TXPBVULUYSLXDT-UHFFFAOYSA-N -1 0 347.436 3.803 20 0 EHADRM CN(Cc1ccccc1NC(=O)CCCCC(=O)[O-])c1ccccc1 ZINC000655542211 975624267 /nfs/dbraw/zinc/62/42/67/975624267.db2.gz LINHULFPFZRNPV-UHFFFAOYSA-N -1 0 340.423 3.907 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)NCc1cccc(Oc2ccccc2F)c1 ZINC000656244047 975655068 /nfs/dbraw/zinc/65/50/68/975655068.db2.gz ABZMPUAGQZSLOC-CYBMUJFWSA-N -1 0 345.370 3.735 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)c2cc(C(=O)[O-])ccn2)c(F)c1 ZINC000656248430 975658078 /nfs/dbraw/zinc/65/80/78/975658078.db2.gz CEYCAECBUPZVGH-UHFFFAOYSA-N -1 0 346.358 3.596 20 0 EHADRM CC1(C)Cc2cccc(NC(=O)N3CCC(CCC(=O)[O-])CC3)c2O1 ZINC000656604276 975665751 /nfs/dbraw/zinc/66/57/51/975665751.db2.gz SYLMALROFGKKGZ-UHFFFAOYSA-N -1 0 346.427 3.509 20 0 EHADRM O=C([O-])c1ccc(CN2CCOC[C@@H]2c2cccc(F)c2)cc1Cl ZINC000656766510 975699162 /nfs/dbraw/zinc/69/91/62/975699162.db2.gz WIJGKZPXCOAKHO-QGZVFWFLSA-N -1 0 349.789 3.751 20 0 EHADRM CC(C)OCc1ccc(C(=O)O[C@H](C)c2cc(C(=O)[O-])co2)cc1 ZINC001591731156 975705853 /nfs/dbraw/zinc/70/58/53/975705853.db2.gz QGXQFDUHSCBNIP-GFCCVEGCSA-N -1 0 332.352 3.821 20 0 EHADRM CC(C)C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000659117622 975713206 /nfs/dbraw/zinc/71/32/06/975713206.db2.gz JCEQKEBTLSTLQY-INIZCTEOSA-N -1 0 337.847 3.793 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C[C@@]12CCCC[C@@H]1C2(F)F)c1cccs1 ZINC000659119797 975717637 /nfs/dbraw/zinc/71/76/37/975717637.db2.gz JIXFNSRRVGVXHL-WBIUFABUSA-N -1 0 343.395 3.596 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1cccc(C(C)C)c1 ZINC000659130788 975730550 /nfs/dbraw/zinc/73/05/50/975730550.db2.gz IDHDNPRCMZJPTA-UHFFFAOYSA-N -1 0 327.380 3.834 20 0 EHADRM Cc1ccc([C@@H]2C[C@H]2C(=O)Nc2cc(C(=O)[O-])ccc2F)cc1C ZINC000659137161 975736923 /nfs/dbraw/zinc/73/69/23/975736923.db2.gz HTXLCAQTCWJPLG-LSDHHAIUSA-N -1 0 327.355 3.883 20 0 EHADRM CC[C@](NC(=O)[C@H](C)Cc1ccco1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000659147880 975747748 /nfs/dbraw/zinc/74/77/48/975747748.db2.gz FAYALXUCFMVFDA-KZULUSFZSA-N -1 0 349.814 3.618 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000659148057 975749036 /nfs/dbraw/zinc/74/90/36/975749036.db2.gz ONRKZJAOLOUIOX-AWEZNQCLSA-N -1 0 327.380 3.533 20 0 EHADRM CC[C@@H](CN(CC)C(=O)c1cc(C(=O)[O-])oc1C)c1ccccc1 ZINC000659153183 975754381 /nfs/dbraw/zinc/75/43/81/975754381.db2.gz IQCKWTMIJNXYQX-AWEZNQCLSA-N -1 0 329.396 3.942 20 0 EHADRM C[C@H](NC(=O)C1[C@H]2CCCCCC[C@H]12)c1ccc(OCC(=O)[O-])cc1 ZINC000659155447 975755269 /nfs/dbraw/zinc/75/52/69/975755269.db2.gz COLUMGNWLKFEER-JQFCIGGWSA-N -1 0 345.439 3.544 20 0 EHADRM CC1(C)CC[C@@H]1C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000659159944 975759469 /nfs/dbraw/zinc/75/94/69/975759469.db2.gz DYVRCKCZXLMNAD-NEPJUHHUSA-N -1 0 329.318 3.541 20 0 EHADRM Cc1cc([C@H](NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)C2CC2)ccc1F ZINC000659166782 975765716 /nfs/dbraw/zinc/76/57/16/975765716.db2.gz YLIQAWXZUATOCL-BFYDXBDKSA-N -1 0 333.403 3.592 20 0 EHADRM CC(C)Oc1c(NC(=O)N[C@H](C)c2cscn2)cccc1C(=O)[O-] ZINC001591744561 975770625 /nfs/dbraw/zinc/77/06/25/975770625.db2.gz PPUZVWLVIFVAAJ-SNVBAGLBSA-N -1 0 349.412 3.511 20 0 EHADRM O=C([O-])c1ccc2c(c1)[C@H](CNC(=O)CCc1ccsc1)CCC2 ZINC000659184536 975781653 /nfs/dbraw/zinc/78/16/53/975781653.db2.gz NBWINOWJBLCQAS-INIZCTEOSA-N -1 0 343.448 3.615 20 0 EHADRM CCCc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)cc1 ZINC000659192038 975789782 /nfs/dbraw/zinc/78/97/82/975789782.db2.gz FKEZRESJQMBNEF-SQNIBIBYSA-N -1 0 329.440 3.745 20 0 EHADRM CC(C)Oc1c(NC(=O)NC[C@@H]2CC=CCC2)cccc1C(=O)[O-] ZINC001591747113 975789934 /nfs/dbraw/zinc/78/99/34/975789934.db2.gz IIZYFORWSHCWLY-CYBMUJFWSA-N -1 0 332.400 3.650 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCCc2ccccc2)[C@H]2CCCC[C@@H]12 ZINC000659196999 975802389 /nfs/dbraw/zinc/80/23/89/975802389.db2.gz ZEEBABITRLUKJP-KSZLIROESA-N -1 0 329.440 3.501 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N(Cc2ccccc2F)CC2CC2)c1 ZINC000659201495 975808078 /nfs/dbraw/zinc/80/80/78/975808078.db2.gz MVUFTCGENCQKLS-UHFFFAOYSA-N -1 0 341.382 3.505 20 0 EHADRM CC(C)(OCC(=O)Nc1cc(Cl)cc(Cl)c1[O-])C(F)(F)F ZINC000447544742 1030277173 /nfs/dbraw/zinc/27/71/73/1030277173.db2.gz PLAUZZCLERFDFV-UHFFFAOYSA-N -1 0 346.132 3.995 20 0 EHADRM C[C@]12CC3CC(C(=O)NCc4ccoc4C(=O)[O-])(C1)C[C@@](C)(C3)C2 ZINC000659201678 975809713 /nfs/dbraw/zinc/80/97/13/975809713.db2.gz XFDKTWVEIHLTQR-CMXJYWLISA-N -1 0 331.412 3.591 20 0 EHADRM CC(C)Oc1c(NCc2ccc3c(c2)COC3)cccc1C(=O)[O-] ZINC001591751811 975810303 /nfs/dbraw/zinc/81/03/03/975810303.db2.gz HOBSMHIUENPFMF-UHFFFAOYSA-N -1 0 327.380 3.814 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659203779 975811819 /nfs/dbraw/zinc/81/18/19/975811819.db2.gz IIBXVHGOGOSNGK-CQSZACIVSA-N -1 0 335.448 3.638 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC000659210840 975821788 /nfs/dbraw/zinc/82/17/88/975821788.db2.gz VTFSYACGIVFYTC-AWEZNQCLSA-N -1 0 337.847 3.526 20 0 EHADRM CC(C)Oc1ccc(-c2noc([C@H]3CCC[C@H](C(=O)[O-])C3)n2)cc1 ZINC001591757238 975833144 /nfs/dbraw/zinc/83/31/44/975833144.db2.gz YYKGLFJNETUYCO-KBPBESRZSA-N -1 0 330.384 3.882 20 0 EHADRM C[C@@H](CCNC(=O)N1CCC(CCC(=O)[O-])CC1)CC(C)(C)C ZINC000659401623 975845412 /nfs/dbraw/zinc/84/54/12/975845412.db2.gz ONVNIFCBOOWIEE-AWEZNQCLSA-N -1 0 326.481 3.735 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C[C@H]1CCCC1(F)F ZINC001591762397 975859467 /nfs/dbraw/zinc/85/94/67/975859467.db2.gz VEZXTZORMQWPLG-GFCCVEGCSA-N -1 0 341.354 3.936 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1C[C@@H]2CCCC[C@@]21C ZINC001591767141 975876513 /nfs/dbraw/zinc/87/65/13/975876513.db2.gz IABHYWTWJFUTBS-LIRRHRJNSA-N -1 0 346.427 3.968 20 0 EHADRM CC(C)Oc1ccc(NC(=O)CCCC2CCOCC2)c(C(=O)[O-])c1 ZINC001591780229 975944212 /nfs/dbraw/zinc/94/42/12/975944212.db2.gz GLIDMNQGXCKGBA-UHFFFAOYSA-N -1 0 349.427 3.707 20 0 EHADRM CC(C)Oc1ccc(NC(=O)C[C@@H](C)n2cccc2)c(C(=O)[O-])c1 ZINC001591781006 975949197 /nfs/dbraw/zinc/94/91/97/975949197.db2.gz PQCAFTCRYBMRKU-CYBMUJFWSA-N -1 0 330.384 3.563 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N2CCC[C@@H]2CC(=O)[O-])c(Cl)c1 ZINC001591786777 975959872 /nfs/dbraw/zinc/95/98/72/975959872.db2.gz RJYCJYHUIVFEPY-LLVKDONJSA-N -1 0 340.807 3.598 20 0 EHADRM O=C([O-])CCCCNC(=O)N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000666550599 975971803 /nfs/dbraw/zinc/97/18/03/975971803.db2.gz FAMZEKALEFPTJZ-DZGCQCFKSA-N -1 0 338.835 3.530 20 0 EHADRM CC(C)Oc1ccc(NC(=O)c2csc(C(=O)[O-])n2)c(Cl)c1 ZINC001591788407 975972486 /nfs/dbraw/zinc/97/24/86/975972486.db2.gz HICOYUBGCHKOGD-UHFFFAOYSA-N -1 0 340.788 3.534 20 0 EHADRM CO[C@@H]1CCC[C@H](CC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C1 ZINC000668277207 975982197 /nfs/dbraw/zinc/98/21/97/975982197.db2.gz BHAJUMUCPHRNKF-XJKSGUPXSA-N -1 0 333.428 3.583 20 0 EHADRM Cc1cscc1CNC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000668302360 975991263 /nfs/dbraw/zinc/99/12/63/975991263.db2.gz FPEZKPCPJHCUQR-LLVKDONJSA-N -1 0 335.450 3.552 20 0 EHADRM CC(C)Oc1ccccc1CC(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001591801150 976015998 /nfs/dbraw/zinc/01/59/98/976015998.db2.gz JHAJQOPSOWNZKD-FQEVSTJZSA-N -1 0 347.455 3.556 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001591804346 976027693 /nfs/dbraw/zinc/02/76/93/976027693.db2.gz BKQSFCQRGBGCOC-JTQLQIEISA-N -1 0 349.412 3.511 20 0 EHADRM CC(C)Oc1ncc(Cl)cc1N[C@@H]1CC[C@@H](CC(=O)[O-])[C@@H]1C ZINC001591811727 976047992 /nfs/dbraw/zinc/04/79/92/976047992.db2.gz UVNRZGVALFUTHD-GMXVVIOVSA-N -1 0 326.824 3.824 20 0 EHADRM CC(C)(C)c1ncc(CN[C@H](C(=O)[O-])c2cc(F)ccc2F)s1 ZINC000683175306 976080547 /nfs/dbraw/zinc/08/05/47/976080547.db2.gz UHDIWEVFUQQJAR-ZDUSSCGKSA-N -1 0 340.395 3.634 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)Nc3nc(CC(=O)[O-])cs3)s2)o1 ZINC000683297846 976082581 /nfs/dbraw/zinc/08/25/81/976082581.db2.gz OZQJEIPBJXYDLE-UHFFFAOYSA-N -1 0 348.405 3.652 20 0 EHADRM Cc1c2ccccc2c(=O)[nH]c1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC001625779492 1014321648 /nfs/dbraw/zinc/32/16/48/1014321648.db2.gz MWMKQRPQNXRYFZ-UHFFFAOYSA-N -1 0 346.745 3.999 20 0 EHADRM Cc1cc(-c2cc(C(=O)[O-])c(Cl)cn2)ccc1O[C@H]1CCOC1 ZINC000579734220 1014329513 /nfs/dbraw/zinc/32/95/13/1014329513.db2.gz VBENLFSWECZMGQ-LBPRGKRZSA-N -1 0 333.771 3.576 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2O)c(O)c1 ZINC001591943293 976478393 /nfs/dbraw/zinc/47/83/93/976478393.db2.gz SFCRVGZLCDXMND-UHFFFAOYSA-N -1 0 349.770 3.825 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)NCc2ccc(C(=O)[O-])cn2)cc1 ZINC001591947509 976490602 /nfs/dbraw/zinc/49/06/02/976490602.db2.gz LYGSSNRKHIJJEB-AWEZNQCLSA-N -1 0 340.423 3.713 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)NC[C@H](CC(=O)[O-])C2CC2)cc1 ZINC001591947497 976490758 /nfs/dbraw/zinc/49/07/58/976490758.db2.gz LPJPNGXIYNDMIC-KDOFPFPSSA-N -1 0 331.456 3.921 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)c(O)c1 ZINC001591947757 976493814 /nfs/dbraw/zinc/49/38/14/976493814.db2.gz UZQCZSKRGFKRNR-UHFFFAOYSA-N -1 0 346.408 3.800 20 0 EHADRM CC(C)c1ccc(C2(C(=O)N3CC(C(=O)[O-])C3)CCCCC2)cc1 ZINC001591949267 976506301 /nfs/dbraw/zinc/50/63/01/976506301.db2.gz RYPMHCCWLONNTM-UHFFFAOYSA-N -1 0 329.440 3.555 20 0 EHADRM CC(C)c1ccc(CCNC(=O)C2(C(=O)[O-])CC3(CCC3)C2)cc1 ZINC001591953349 976517686 /nfs/dbraw/zinc/51/76/86/976517686.db2.gz YKXCZFQQEBMUBM-UHFFFAOYSA-N -1 0 329.440 3.504 20 0 EHADRM CC(C)c1ccc(CN(C)C(=O)Nc2cc(C(=O)[O-])ccn2)cc1 ZINC001591954499 976526641 /nfs/dbraw/zinc/52/66/41/976526641.db2.gz YHUCYROGOYGEKQ-UHFFFAOYSA-N -1 0 327.384 3.567 20 0 EHADRM CC(C)c1ccc(NC(=O)/C=C\c2cccc(O)c2)c(C(=O)[O-])c1 ZINC001591962581 976549244 /nfs/dbraw/zinc/54/92/44/976549244.db2.gz NYKTWKRDGPIBEM-TWGQIWQCSA-N -1 0 325.364 3.866 20 0 EHADRM CC(C)c1ccc(NC(=O)CNc2cc(F)cc(C(=O)[O-])c2F)cc1 ZINC001591965270 976557316 /nfs/dbraw/zinc/55/73/16/976557316.db2.gz JGXKSRYATSKMTI-UHFFFAOYSA-N -1 0 348.349 3.837 20 0 EHADRM CC(C)c1ccc(NC(=O)c2ccc3nccnc3c2)c(C(=O)[O-])c1 ZINC001591968948 976567851 /nfs/dbraw/zinc/56/78/51/976567851.db2.gz UURVSRFLJLSVSD-UHFFFAOYSA-N -1 0 335.363 3.704 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C)CCC2 ZINC001591981168 976596260 /nfs/dbraw/zinc/59/62/60/976596260.db2.gz QEKZQQHPUZNZLR-XCRHUMRWSA-N -1 0 344.455 3.692 20 0 EHADRM CC(C)c1ccccc1OCCC(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC001592003618 976662778 /nfs/dbraw/zinc/66/27/78/976662778.db2.gz BMZZXKXRLXFEFD-LJQANCHMSA-N -1 0 341.407 3.521 20 0 EHADRM CC(C)c1csc(CNC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)n1 ZINC001592009149 976685137 /nfs/dbraw/zinc/68/51/37/976685137.db2.gz ZFQZVQBLWMLDKU-NSHDSACASA-N -1 0 347.440 3.776 20 0 EHADRM CC(C)c1ncsc1NC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001592042436 976768809 /nfs/dbraw/zinc/76/88/09/976768809.db2.gz KIXADFGAAQMWRO-NSHDSACASA-N -1 0 339.461 3.621 20 0 EHADRM CC(C)c1nnc(CSCc2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC001592061249 976814103 /nfs/dbraw/zinc/81/41/03/976814103.db2.gz NGTOIXWNMFBDGM-UHFFFAOYSA-N -1 0 326.805 3.978 20 0 EHADRM CC(C)c1nnc(S[C@H](C(=O)[O-])c2ccc(Cl)cc2)n1C ZINC001592075575 976824346 /nfs/dbraw/zinc/82/43/46/976824346.db2.gz HMBLXPTVNWGDJT-NSHDSACASA-N -1 0 325.821 3.510 20 0 EHADRM CC(C)c1nocc1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001592106661 976885784 /nfs/dbraw/zinc/88/57/84/976885784.db2.gz YVPWEVHOOFJYPE-UHFFFAOYSA-N -1 0 330.365 3.963 20 0 EHADRM CC(C)c1sc(NC(=O)[C@@H]2CCc3ccccc3C2)nc1C(=O)[O-] ZINC001592111536 976899978 /nfs/dbraw/zinc/89/99/78/976899978.db2.gz CARNUDWIIGSXFU-CYBMUJFWSA-N -1 0 344.436 3.708 20 0 EHADRM CC(C)c1sc(NC(=O)/C=C\c2cccc(F)c2)nc1C(=O)[O-] ZINC001592111695 976902805 /nfs/dbraw/zinc/90/28/05/976902805.db2.gz KRQSJTZFFQBASA-SREVYHEPSA-N -1 0 334.372 3.756 20 0 EHADRM CC(C)n1c2ccccc2n2c(SCCCCC(=O)[O-])nnc21 ZINC001592120939 976925392 /nfs/dbraw/zinc/92/53/92/976925392.db2.gz CBDVZSOKDIHVHW-UHFFFAOYSA-N -1 0 332.429 3.612 20 0 EHADRM C[C@H](/C=C\C(=O)[O-])NC(=O)c1ccc(-c2cccc3cccnc32)cc1 ZINC001592202750 977221160 /nfs/dbraw/zinc/22/11/60/977221160.db2.gz DSNCKHKPGAOBGP-YRBHFNIASA-N -1 0 346.386 3.661 20 0 EHADRM C[C@H](/C=C\C(=O)[O-])NC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC001592205026 977236373 /nfs/dbraw/zinc/23/63/73/977236373.db2.gz NQXHWMSBDGVXDT-AXIGGGFBSA-N -1 0 335.469 3.658 20 0 EHADRM C[C@H](CC(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1)C1CCCCC1 ZINC001592255166 977495013 /nfs/dbraw/zinc/49/50/13/977495013.db2.gz ZXCAOJPQTJDYGX-DYVFJYSZSA-N -1 0 335.419 3.717 20 0 EHADRM C[C@@H](CC(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1)C1CCCCC1 ZINC001592255168 977495165 /nfs/dbraw/zinc/49/51/65/977495165.db2.gz ZXCAOJPQTJDYGX-SUMWQHHRSA-N -1 0 335.419 3.717 20 0 EHADRM C[C@@H](CC(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-])c1ccco1 ZINC001592261745 977503848 /nfs/dbraw/zinc/50/38/48/977503848.db2.gz HDIOKHDCIYZKFF-QMMMGPOBSA-N -1 0 325.723 3.903 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2cc(Cl)ccc2Cl)[C@H](C(=O)[O-])C1 ZINC000125598069 1017133586 /nfs/dbraw/zinc/13/35/86/1017133586.db2.gz YIQZJQQGKTYELK-UFBFGSQYSA-N -1 0 331.199 3.710 20 0 EHADRM O=C([O-])c1ccc(Nc2c(CO)ccc(F)c2F)cc1C(F)(F)F ZINC001211489766 1014434290 /nfs/dbraw/zinc/43/42/90/1014434290.db2.gz HCYRDNGWPOREQW-UHFFFAOYSA-N -1 0 347.239 3.918 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)c1cscc1C(F)F ZINC000717184011 977872485 /nfs/dbraw/zinc/87/24/85/977872485.db2.gz AVNZJZYYGWATEE-UHFFFAOYSA-N -1 0 339.363 3.803 20 0 EHADRM C[C@H]1CCC[C@H](OCc2cccc(NC(=O)C3(C(=O)[O-])CCC3)c2)C1 ZINC000654821185 1014446919 /nfs/dbraw/zinc/44/69/19/1014446919.db2.gz QWAWNUDBEDQGNC-YOEHRIQHSA-N -1 0 345.439 3.975 20 0 EHADRM C[C@@H](CC(=O)Oc1ccc(N(C)C)c(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001592434098 978071357 /nfs/dbraw/zinc/07/13/57/978071357.db2.gz SIGUULWYVFRCPM-LBPRGKRZSA-N -1 0 345.370 3.689 20 0 EHADRM C[C@H](CC1CCC1)NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001592460642 978184518 /nfs/dbraw/zinc/18/45/18/978184518.db2.gz XFKRTUPSZPEWOM-CJNGLKHVSA-N -1 0 332.444 3.716 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)N[C@@](C)(Cc1ccc(F)cc1)C(=O)[O-] ZINC001592466220 978211446 /nfs/dbraw/zinc/21/14/46/978211446.db2.gz RYFJYUBLLJOJAW-VLIAUNLRSA-N -1 0 349.446 3.934 20 0 EHADRM C[C@H](CCCC(F)(F)F)NC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001592478107 978248574 /nfs/dbraw/zinc/24/85/74/978248574.db2.gz RKIHXVQBNWLIRW-MRVPVSSYSA-N -1 0 336.285 3.767 20 0 EHADRM C[C@H](CCNC(=O)Cn1cc(C(=O)[O-])c2ccccc21)CC(C)(C)C ZINC001592512795 978339164 /nfs/dbraw/zinc/33/91/64/978339164.db2.gz FMNSMAFJHQZGFE-CQSZACIVSA-N -1 0 344.455 3.918 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)N[C@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000736511764 978340020 /nfs/dbraw/zinc/34/00/20/978340020.db2.gz CRJGUKTTWNSNNB-YOEHRIQHSA-N -1 0 332.444 3.562 20 0 EHADRM C[C@H](CCN1C[C@@H](C(=O)[O-])Oc2cc(F)ccc21)c1ccccc1 ZINC001592513808 978350888 /nfs/dbraw/zinc/35/08/88/978350888.db2.gz KNKFZLMCXMXEDC-ACJLOTCBSA-N -1 0 329.371 3.672 20 0 EHADRM C[C@H](CCNC(=O)NCc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC001592519818 978365104 /nfs/dbraw/zinc/36/51/04/978365104.db2.gz CONYUZMWOCJQLI-CYBMUJFWSA-N -1 0 344.386 3.517 20 0 EHADRM CC(=O)c1ccc([N-]S(=O)(=O)c2cccc3c(C)ccnc32)cc1 ZINC000547631313 1014485215 /nfs/dbraw/zinc/48/52/15/1014485215.db2.gz MUBPUUQHNQDSFE-UHFFFAOYSA-N -1 0 340.404 3.547 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)O[C@@H](C(=O)[O-])c1ccsc1 ZINC001592540114 978422080 /nfs/dbraw/zinc/42/20/80/978422080.db2.gz FXFLJOHLIYMIBO-IAQYHMDHSA-N -1 0 336.384 3.825 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1csc([C@@H]2CCCO2)n1 ZINC000274661352 1014488787 /nfs/dbraw/zinc/48/87/87/1014488787.db2.gz GLDQHCLIJIQBFM-NSHDSACASA-N -1 0 342.779 3.745 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(N3CCC[C@@H]3C3CCC3)c12 ZINC000738362430 978523881 /nfs/dbraw/zinc/52/38/81/978523881.db2.gz MBVAQFSOLNQVGZ-GFCCVEGCSA-N -1 0 331.441 3.775 20 0 EHADRM CCCC[C@@H](NC(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000753907480 978694657 /nfs/dbraw/zinc/69/46/57/978694657.db2.gz VKEHPIVDLNLGQT-PLSXKVAHSA-N -1 0 343.345 3.868 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N3CCc4cc(C(=O)[O-])ccc43)cc2c1C ZINC000766842522 978725995 /nfs/dbraw/zinc/72/59/95/978725995.db2.gz DONIBJJJWDPQLW-UHFFFAOYSA-N -1 0 334.375 3.686 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)/C=C\c1ccsc1 ZINC000766938473 978729287 /nfs/dbraw/zinc/72/92/87/978729287.db2.gz HZQQKVNDHUTUCB-UTCJRWHESA-N -1 0 331.393 3.885 20 0 EHADRM C/C(=C/C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c1cccc(Cl)c1 ZINC000766937573 978729420 /nfs/dbraw/zinc/72/94/20/978729420.db2.gz ALXDFPUGUOECEW-QFSNBGPKSA-N -1 0 343.810 3.555 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cccn2Cc2cccs2)ccc1F ZINC000767090813 978734432 /nfs/dbraw/zinc/73/44/32/978734432.db2.gz YFFGJYDRYVWVKY-UHFFFAOYSA-N -1 0 344.367 3.688 20 0 EHADRM CCc1cccc(C)c1N=c1[n-]nc(SCc2cn[nH]c2)s1 ZINC000430162653 1014521726 /nfs/dbraw/zinc/52/17/26/1014521726.db2.gz JOEOKJSXRRGDBA-UHFFFAOYSA-N -1 0 331.470 3.590 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC000788090847 978796957 /nfs/dbraw/zinc/79/69/57/978796957.db2.gz VJYSMGCWUPPFON-ZDUSSCGKSA-N -1 0 329.371 3.958 20 0 EHADRM CC[C@@H](CNC(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccccc1 ZINC000811814150 978857790 /nfs/dbraw/zinc/85/77/90/978857790.db2.gz QSSUSGAVEYJUAN-LBPRGKRZSA-N -1 0 331.799 3.962 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N2CCC[C@@H]2Cc2ccccc2)c1 ZINC000811814981 978858473 /nfs/dbraw/zinc/85/84/73/978858473.db2.gz XOECXJJCTWGWBA-OAHLLOKOSA-N -1 0 343.810 3.886 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)NCc2ccc3ccccc3n2)c1 ZINC000811821777 978866775 /nfs/dbraw/zinc/86/67/75/978866775.db2.gz PYGAKSGTUCRGDM-UHFFFAOYSA-N -1 0 340.766 3.516 20 0 EHADRM C[C@@H](CCc1cccn1C)NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000827427331 978959808 /nfs/dbraw/zinc/95/98/08/978959808.db2.gz FTHNVRLETNLSMD-NSHDSACASA-N -1 0 349.818 3.520 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828183574 978973731 /nfs/dbraw/zinc/97/37/31/978973731.db2.gz JEAVLTLXEWJEKR-PBFPGSCMSA-N -1 0 341.382 3.931 20 0 EHADRM C[C@@H]1c2ccccc2CN1C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000828528444 978985187 /nfs/dbraw/zinc/98/51/87/978985187.db2.gz ULOGAQGBCVZTGT-SECBINFHSA-N -1 0 332.306 3.772 20 0 EHADRM C/C=C(/C=C/C(=O)N[C@@H](CC(=O)[O-])c1ccc(SC)cc1)CC ZINC000828543134 978985602 /nfs/dbraw/zinc/98/56/02/978985602.db2.gz QKQYKLPNGKLUJA-KCXDMKOESA-N -1 0 333.453 3.953 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2CC[C@H](c3ccc(C)cc3C)C2)s1 ZINC000471117102 1014540649 /nfs/dbraw/zinc/54/06/49/1014540649.db2.gz SANOLRRQDCVLCX-AWEZNQCLSA-N -1 0 344.484 3.551 20 0 EHADRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)CCC(C)C ZINC000832848232 979050258 /nfs/dbraw/zinc/05/02/58/979050258.db2.gz VVYMIDPJHCQHKT-UHFFFAOYSA-N -1 0 328.206 3.830 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1F ZINC000832910916 979054858 /nfs/dbraw/zinc/05/48/58/979054858.db2.gz BYBNAHNTJMLKHH-INIZCTEOSA-N -1 0 329.371 3.716 20 0 EHADRM Cc1ccc(NC(=O)CCC(=O)c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000832943002 979058788 /nfs/dbraw/zinc/05/87/88/979058788.db2.gz XQEYIZWMUIAGQX-UHFFFAOYSA-N -1 0 345.782 3.948 20 0 EHADRM Cc1cccc(CN(C)[C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)n1 ZINC000832968263 979062749 /nfs/dbraw/zinc/06/27/49/979062749.db2.gz UCJGYKTUAOAIBO-OAHLLOKOSA-N -1 0 339.222 3.955 20 0 EHADRM CC[C@@H](C)c1ccccc1OS(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001595016118 979069648 /nfs/dbraw/zinc/06/96/48/979069648.db2.gz RPRVYWHHLNOCDU-SNVBAGLBSA-N -1 0 338.381 3.567 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NC2(c3ccccc3)CCC2)cc1F ZINC000833153578 979097142 /nfs/dbraw/zinc/09/71/42/979097142.db2.gz MSVGCPPUCBFQAF-UHFFFAOYSA-N -1 0 328.343 3.725 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC001592682551 979104342 /nfs/dbraw/zinc/10/43/42/979104342.db2.gz NQHSDSJCSSCCQP-NSHDSACASA-N -1 0 348.786 3.975 20 0 EHADRM CC[C@@H](C)n1nc(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)cc1C ZINC001595022780 979109979 /nfs/dbraw/zinc/10/99/79/979109979.db2.gz OPUOHHDYROINDO-SNVBAGLBSA-N -1 0 340.383 3.594 20 0 EHADRM CC[C@H](C)n1ncc(NCc2cc(C)c(OCC(=O)[O-])c(C)c2)c1C ZINC001595026941 979139525 /nfs/dbraw/zinc/13/95/25/979139525.db2.gz NMSDEVUKGRQOOB-AWEZNQCLSA-N -1 0 345.443 3.855 20 0 EHADRM CC[C@@H](CC(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)[O-])C(C)C ZINC001595034043 979180161 /nfs/dbraw/zinc/18/01/61/979180161.db2.gz XNTPYRUKKQCOAX-XJKSGUPXSA-N -1 0 331.412 3.617 20 0 EHADRM C[C@H](CNc1cnc(C(=O)[O-])cn1)c1c(Cl)cccc1Cl ZINC001592728234 979235700 /nfs/dbraw/zinc/23/57/00/979235700.db2.gz DXPLNNYNOUWMMP-MRVPVSSYSA-N -1 0 326.183 3.697 20 0 EHADRM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)C=C2CCC(C)CC2)c1 ZINC000836758179 979268961 /nfs/dbraw/zinc/26/89/61/979268961.db2.gz HFMDWPCLOGJPBX-YBMSBYLISA-N -1 0 345.439 3.638 20 0 EHADRM CCC(CC)(CCOC(=O)[C@@H]1CCC(=O)c2ccccc21)C(=O)[O-] ZINC001595060024 979314029 /nfs/dbraw/zinc/31/40/29/979314029.db2.gz ZVQKRJHIUCRRCM-OAHLLOKOSA-N -1 0 332.396 3.571 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cc(C(=O)[O-])n(C)c1)c1ccccc1 ZINC001595070354 979338499 /nfs/dbraw/zinc/33/84/99/979338499.db2.gz LJHSKMHEPBPZPK-UHFFFAOYSA-N -1 0 343.427 3.603 20 0 EHADRM CCC(CC)(CNC(=O)c1c(Cl)cc(F)cc1Cl)C(=O)[O-] ZINC001595073249 979347022 /nfs/dbraw/zinc/34/70/22/979347022.db2.gz SLUSOGRVHNGRFD-UHFFFAOYSA-N -1 0 336.190 3.753 20 0 EHADRM CC[C@@H](CNC(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C)C(=O)[O-] ZINC000844158406 979349838 /nfs/dbraw/zinc/34/98/38/979349838.db2.gz OGVOSKAAGGGAEE-ZBFHGGJFSA-N -1 0 342.439 3.555 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1cccc(Cl)c1 ZINC000846117882 979406731 /nfs/dbraw/zinc/40/67/31/979406731.db2.gz SCFXCXSEZAWDTP-NOXHYTERSA-N -1 0 333.815 3.574 20 0 EHADRM CCC(CC)[C@@H](NC(=O)Cc1ccc(C(=O)[O-])nc1)c1cccs1 ZINC001595106028 979428010 /nfs/dbraw/zinc/42/80/10/979428010.db2.gz FPJSZCTUKAPFKV-QGZVFWFLSA-N -1 0 346.452 3.678 20 0 EHADRM CCC(CC)[C@@H](NC(=O)NCC(C)(C)CC(=O)[O-])c1ccccc1 ZINC001595109554 979443666 /nfs/dbraw/zinc/44/36/66/979443666.db2.gz IFZFTMNQSPWWIQ-QGZVFWFLSA-N -1 0 334.460 3.964 20 0 EHADRM CCC(CC)[C@H](NC(=O)c1cncc(C(=O)[O-])c1)c1cccs1 ZINC001595110013 979450262 /nfs/dbraw/zinc/45/02/62/979450262.db2.gz RIFVQOSEHWYGTF-HNNXBMFYSA-N -1 0 332.425 3.749 20 0 EHADRM CCC(CC)[C@@H](NC(=O)c1cncc(C(=O)[O-])c1)c1cccs1 ZINC001595110015 979450399 /nfs/dbraw/zinc/45/03/99/979450399.db2.gz RIFVQOSEHWYGTF-OAHLLOKOSA-N -1 0 332.425 3.749 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1 ZINC001595121121 979486401 /nfs/dbraw/zinc/48/64/01/979486401.db2.gz CGTGGUYNFLHAEB-UHFFFAOYSA-N -1 0 330.384 3.543 20 0 EHADRM CCOc1ccc(CNc2cc(C(=O)[O-])cc(OC)c2OC)c(C)c1 ZINC000849230325 979489482 /nfs/dbraw/zinc/48/94/82/979489482.db2.gz DXWUZDLEJBMHDN-UHFFFAOYSA-N -1 0 345.395 3.721 20 0 EHADRM CCC(CC)n1nc(C(=O)NC2(CCC(=O)[O-])CCCCC2)cc1C ZINC001595124350 979504463 /nfs/dbraw/zinc/50/44/63/979504463.db2.gz CZKWXPAQSLVKKP-UHFFFAOYSA-N -1 0 349.475 3.850 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1ccc(CF)cc1)C(=O)[O-] ZINC000851595417 979508379 /nfs/dbraw/zinc/50/83/79/979508379.db2.gz IVVUDBUBFYSBRW-AWEZNQCLSA-N -1 0 329.371 3.519 20 0 EHADRM Cc1ccc(C)c([C@H]2CCCN2C(=O)c2ccc(/C=C/C(=O)[O-])o2)c1 ZINC000851602557 979523557 /nfs/dbraw/zinc/52/35/57/979523557.db2.gz WRNCANIQYMASTC-SYJIQKIWSA-N -1 0 339.391 3.972 20 0 EHADRM C[C@H](CSCc1ccccc1)C(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC001592825878 979545623 /nfs/dbraw/zinc/54/56/23/979545623.db2.gz MNNSYWSYXMWJMK-PBHICJAKSA-N -1 0 349.496 3.706 20 0 EHADRM C[C@@H](CSc1ccccc1)N(C)C(=O)c1ccc(C(=O)[O-])cc1F ZINC001592832347 979564161 /nfs/dbraw/zinc/56/41/61/979564161.db2.gz OSEZYMFOVMQGQN-LBPRGKRZSA-N -1 0 347.411 3.777 20 0 EHADRM C[C@H](Cc1ccc(Br)cc1)Nc1cc(C(=O)[O-])ccn1 ZINC001592833303 979569926 /nfs/dbraw/zinc/56/99/26/979569926.db2.gz FCYSMQZOZZNSRP-SNVBAGLBSA-N -1 0 335.201 3.585 20 0 EHADRM CC[C@](CNC(=O)[C@@H](C)[C@H](C)C(C)(C)C)(C(=O)[O-])c1ccccc1 ZINC001595135610 979577885 /nfs/dbraw/zinc/57/78/85/979577885.db2.gz XMONPJIMXYEAMJ-AUSJPIAWSA-N -1 0 333.472 3.854 20 0 EHADRM CC(C)c1ccc(C[C@@H](C)NC(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC001592834843 979580259 /nfs/dbraw/zinc/58/02/59/979580259.db2.gz YKFSWCUUCFEQSV-GFCCVEGCSA-N -1 0 331.437 3.931 20 0 EHADRM CC[C@](CNC(=O)Nc1cc(F)cc(F)c1)(C(=O)[O-])c1ccccc1 ZINC001595151887 979645246 /nfs/dbraw/zinc/64/52/46/979645246.db2.gz ANGRLTMPOBDMJD-GOSISDBHSA-N -1 0 348.349 3.519 20 0 EHADRM CC(C)(CC(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1 ZINC000864098397 979680267 /nfs/dbraw/zinc/68/02/67/979680267.db2.gz KCQIYRQWIFDVPC-UHFFFAOYSA-N -1 0 343.398 3.551 20 0 EHADRM CC(C)[C@@H]1N(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)CC1(C)C ZINC001592860335 979689441 /nfs/dbraw/zinc/68/94/41/979689441.db2.gz HQSOIXCDUVQFHT-BBRMVZONSA-N -1 0 332.444 3.848 20 0 EHADRM CC[C@H](CNC(=O)c1ccc(-c2ccc(F)cc2C)c(F)c1)C(=O)[O-] ZINC001595160942 979690134 /nfs/dbraw/zinc/69/01/34/979690134.db2.gz ZBPWVWQMOMEHMR-GFCCVEGCSA-N -1 0 347.361 3.781 20 0 EHADRM CC[C@@H]1c2ccsc2CCN1C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000864104950 979690986 /nfs/dbraw/zinc/69/09/86/979690986.db2.gz WULRHJYXHXYMDT-VQTKUKTRSA-N -1 0 331.393 3.589 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N2C[C@@H]3CCCC[C@@H]3C2)cc1)C(=O)[O-] ZINC001592861720 979702014 /nfs/dbraw/zinc/70/20/14/979702014.db2.gz WDDWIQYZGFDFLP-CWRNSKLLSA-N -1 0 330.428 3.604 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)NC[C@@H]2C[C@@H]2C2CCCC2)cc1)C(=O)[O-] ZINC001592865684 979708636 /nfs/dbraw/zinc/70/86/36/979708636.db2.gz FXZLHDAYQNJABB-RPVQJOFSSA-N -1 0 344.455 3.898 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)NC(C)(C)CC(F)(F)F)cc1)C(=O)[O-] ZINC001592866906 979713410 /nfs/dbraw/zinc/71/34/10/979713410.db2.gz MWFCPLRXFGTLKT-SNVBAGLBSA-N -1 0 346.349 3.802 20 0 EHADRM Cc1cc(C)c(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)s1 ZINC000864126935 979726817 /nfs/dbraw/zinc/72/68/17/979726817.db2.gz ODLNKOQZTJLSOM-CYBMUJFWSA-N -1 0 337.828 3.964 20 0 EHADRM Cc1ccc(C(=O)N2CCc3cc(F)ccc3[C@H]2C)cc1C(=O)[O-] ZINC000864129099 979730398 /nfs/dbraw/zinc/73/03/98/979730398.db2.gz GSEXNEOAONMNOL-GFCCVEGCSA-N -1 0 327.355 3.592 20 0 EHADRM Cc1ccc(C)c([C@H]2CCCN2C(=O)/C=C/c2cc(C(=O)[O-])co2)c1 ZINC000864130015 979731425 /nfs/dbraw/zinc/73/14/25/979731425.db2.gz QLBGDGZCKROUMY-LKGOPFMKSA-N -1 0 339.391 3.972 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)c2cccc(Cl)c2F)cc1)C(=O)[O-] ZINC001592873186 979733999 /nfs/dbraw/zinc/73/39/99/979733999.db2.gz RMRSYTRYIUUVPK-JTQLQIEISA-N -1 0 335.762 3.995 20 0 EHADRM Cc1ccc(F)c2[nH]c(C(=O)N3CCC[C@H](C(C)(C)C(=O)[O-])C3)cc21 ZINC000864133105 979735170 /nfs/dbraw/zinc/73/51/70/979735170.db2.gz IDFBXACONVTBOH-LBPRGKRZSA-N -1 0 346.402 3.578 20 0 EHADRM CC[C@](CNc1cc(C)nc(C2CC2)n1)(C(=O)[O-])c1ccccc1 ZINC001595172977 979748485 /nfs/dbraw/zinc/74/84/85/979748485.db2.gz WCLADILKMHQTJN-LJQANCHMSA-N -1 0 325.412 3.507 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001592885804 979771626 /nfs/dbraw/zinc/77/16/26/979771626.db2.gz SRSWLDHQCWYOKT-SECBINFHSA-N -1 0 337.297 3.619 20 0 EHADRM COc1cccc(Nc2ccc(NC(=O)C[C@H](C)CC(=O)[O-])cc2)c1 ZINC000864161479 979778019 /nfs/dbraw/zinc/77/80/19/979778019.db2.gz UBPORHDRNUYDBH-ZDUSSCGKSA-N -1 0 342.395 3.878 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC001592891049 979780586 /nfs/dbraw/zinc/78/05/86/979780586.db2.gz LWXUKXROGRGJLY-BDJLRTHQSA-N -1 0 349.789 3.600 20 0 EHADRM Cc1cc(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)c(C)n1C1CCCCC1 ZINC000864163650 979783765 /nfs/dbraw/zinc/78/37/65/979783765.db2.gz WGLCOKHDGVZUEB-HNNXBMFYSA-N -1 0 330.428 3.513 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)O[C@@H](C)c1nc(C(=O)[O-])co1 ZINC001592892189 979789787 /nfs/dbraw/zinc/78/97/87/979789787.db2.gz XAXKEIARWZARBL-UWVGGRQHSA-N -1 0 337.759 3.509 20 0 EHADRM C[C@@H](Cc1ccco1)C(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)F ZINC001592899200 979813295 /nfs/dbraw/zinc/81/32/95/979813295.db2.gz DNSASFZMSUXWJT-HZMBPMFUSA-N -1 0 338.306 3.706 20 0 EHADRM CC[C@H](COC(=O)c1ccc(C2SCCCS2)cc1)C(=O)[O-] ZINC001595183249 979815711 /nfs/dbraw/zinc/81/57/11/979815711.db2.gz OOQANVDRUXPEFW-LLVKDONJSA-N -1 0 340.466 3.823 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000864178207 979823267 /nfs/dbraw/zinc/82/32/67/979823267.db2.gz ZFGRQBHXGVAGNL-ZDYYMQGASA-N -1 0 339.391 3.784 20 0 EHADRM C[C@H](Cc1ccsc1)NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001592906802 979849926 /nfs/dbraw/zinc/84/99/26/979849926.db2.gz ONZJYKPPLCTWGD-XFBWCDHKSA-N -1 0 344.436 3.689 20 0 EHADRM CC1(C)C=Cc2cccc(NC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)c2O1 ZINC000864194909 979854657 /nfs/dbraw/zinc/85/46/57/979854657.db2.gz QZPDEYNQDZYPGA-UONOGXRCSA-N -1 0 329.396 3.700 20 0 EHADRM Cc1c(C(=O)N[C@](C)(CC(=O)[O-])C2CC2)sc2cccc(F)c12 ZINC000864198249 979869030 /nfs/dbraw/zinc/86/90/30/979869030.db2.gz SRXLVUZAWZKINL-QGZVFWFLSA-N -1 0 335.400 3.722 20 0 EHADRM C[C@@H](Cc1cncc2ccccc21)C(=O)O[C@@H](CC(C)(C)C)C(=O)[O-] ZINC001592909074 979870590 /nfs/dbraw/zinc/87/05/90/979870590.db2.gz OVXPTVZIZAXMON-GUYCJALGSA-N -1 0 343.423 3.846 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)c1cc(Cl)cc2ccccc21)C1CC1 ZINC000864200770 979877884 /nfs/dbraw/zinc/87/78/84/979877884.db2.gz FOFDZYGOLOAQBU-SFHVURJKSA-N -1 0 331.799 3.866 20 0 EHADRM Cc1c2ccccc2n(C)c1CNC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000527504020 1014608644 /nfs/dbraw/zinc/60/86/44/1014608644.db2.gz BDSOSXQJCXSZNY-UHFFFAOYSA-N -1 0 342.439 3.528 20 0 EHADRM O=C([O-])c1coc(C(=O)N2CCC(Cc3ccccc3Cl)CC2)c1 ZINC000864216545 979904834 /nfs/dbraw/zinc/90/48/34/979904834.db2.gz HXOXJBNZLAQIPI-UHFFFAOYSA-N -1 0 347.798 3.726 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2CCCC[C@@H]2C2CC2)c2ccccc21 ZINC000864226807 979913604 /nfs/dbraw/zinc/91/36/04/979913604.db2.gz RALOXFHFJLTBHS-BFYDXBDKSA-N -1 0 327.424 3.808 20 0 EHADRM C[C@@H](Cn1ccc2ccccc21)C(=O)O[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001592919199 979915154 /nfs/dbraw/zinc/91/51/54/979915154.db2.gz ZFXRJNIRNWCPOF-STQMWFEESA-N -1 0 341.363 3.873 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)Nc1c(F)ccc(F)c1C(=O)[O-] ZINC001595210942 979986669 /nfs/dbraw/zinc/98/66/69/979986669.db2.gz MYCITJCYAUKPEW-LBPRGKRZSA-N -1 0 333.334 3.870 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)Nc1cnc(C(=O)[O-])c(Cl)c1 ZINC001595211140 979989047 /nfs/dbraw/zinc/98/90/47/979989047.db2.gz QCRAPOKMLWUNCL-LBPRGKRZSA-N -1 0 332.787 3.641 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(CCC(=O)[O-])cc1)C(C)(F)F ZINC001592934093 979990260 /nfs/dbraw/zinc/99/02/60/979990260.db2.gz CPHKCONNWYOIHR-UHFFFAOYSA-N -1 0 328.359 3.507 20 0 EHADRM CC(F)(F)c1c(F)cccc1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001592943624 980014803 /nfs/dbraw/zinc/01/48/03/980014803.db2.gz KJYLROCEUVVRJE-ZJUUUORDSA-N -1 0 329.318 3.767 20 0 EHADRM CC(F)(F)c1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC001592944393 980021805 /nfs/dbraw/zinc/02/18/05/980021805.db2.gz NHPQFHYYYPKKDQ-CQSZACIVSA-N -1 0 338.281 3.920 20 0 EHADRM CCc1ccc([C@@H]2CN(Cc3ccc(C)c(C(=O)[O-])c3)CCO2)cc1 ZINC000872159129 980041789 /nfs/dbraw/zinc/04/17/89/980041789.db2.gz ODEDRTMOKZSHHI-FQEVSTJZSA-N -1 0 339.435 3.829 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1 ZINC001595220120 980045231 /nfs/dbraw/zinc/04/52/31/980045231.db2.gz VYLUEUWHMYCPEB-UVFQYZLESA-N -1 0 331.456 3.713 20 0 EHADRM CCC(F)(F)c1ccccc1NC(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC001595226092 980075944 /nfs/dbraw/zinc/07/59/44/980075944.db2.gz RJJCAJIXHCSZPT-CYBMUJFWSA-N -1 0 326.343 3.563 20 0 EHADRM CC[C@](NC(=O)[C@@H](C)CC(C)C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595232847 980126567 /nfs/dbraw/zinc/12/65/67/980126567.db2.gz KGENGMXNDYSFNX-YVEFUNNKSA-N -1 0 325.836 3.828 20 0 EHADRM CC[C@](NC(=O)[C@@H]1C[C@H]1C1CCCC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595236592 980136698 /nfs/dbraw/zinc/13/66/98/980136698.db2.gz JPUBKHCKBPLPFO-FRQCXROJSA-N -1 0 349.858 3.972 20 0 EHADRM CC[C@@H](NC(=O)C1(c2ccc(C(C)C)cc2)CCCCC1)C(=O)[O-] ZINC001595237107 980141638 /nfs/dbraw/zinc/14/16/38/980141638.db2.gz XCXZNFBEEQUHPH-QGZVFWFLSA-N -1 0 331.456 3.991 20 0 EHADRM CC[C@@H](NC(=O)/C=C/c1cc(C(=O)[O-])co1)c1cc(C)ccc1C ZINC001595237541 980146821 /nfs/dbraw/zinc/14/68/21/980146821.db2.gz KZVYHFXHVITZHB-IWAYRVGRSA-N -1 0 327.380 3.875 20 0 EHADRM CC[C@](NC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595238266 980154273 /nfs/dbraw/zinc/15/42/73/980154273.db2.gz HHZVZTCRKCQHQF-SJECXTJVSA-N -1 0 335.831 3.582 20 0 EHADRM CC[C@@](NC(=O)CCCc1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC001595241558 980160624 /nfs/dbraw/zinc/16/06/24/980160624.db2.gz JXPYCDKIBOXDBD-FQEVSTJZSA-N -1 0 343.398 3.655 20 0 EHADRM CCN(C(=O)CC1(CC(=O)[O-])CCCC1)c1ccc2[nH]ccc2c1 ZINC000872974683 980160943 /nfs/dbraw/zinc/16/09/43/980160943.db2.gz ZBRCYALZKRHPEZ-UHFFFAOYSA-N -1 0 328.412 3.946 20 0 EHADRM C[C@@](NC(=O)C1CCCCC1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593007202 980225406 /nfs/dbraw/zinc/22/54/06/980225406.db2.gz NVLZAOFEAIQIEH-INIZCTEOSA-N -1 0 344.238 3.990 20 0 EHADRM CC[C@H](NC(=O)NCc1ccc(C(=O)[O-])s1)c1ccc(C)cc1 ZINC001595253296 980229013 /nfs/dbraw/zinc/22/90/13/980229013.db2.gz QPCZSUASGSYYTM-AWEZNQCLSA-N -1 0 332.425 3.705 20 0 EHADRM C[C@H](NC(=O)/C=C\C1CCCCC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593008147 980229050 /nfs/dbraw/zinc/22/90/50/980229050.db2.gz BLTYMABNUADFHW-HMRVGZCKSA-N -1 0 329.440 3.571 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)[C@@H]1CCCCO1 ZINC001595256562 980237853 /nfs/dbraw/zinc/23/78/53/980237853.db2.gz CHYHWAOHPHLGJF-CVEARBPZSA-N -1 0 348.443 3.518 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccccc1OC ZINC001595257086 980243093 /nfs/dbraw/zinc/24/30/93/980243093.db2.gz OICCDPQWZQVCOS-OAHLLOKOSA-N -1 0 328.368 3.666 20 0 EHADRM CC[C@H](NC(=O)c1cc(C)cc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC001595264957 980272666 /nfs/dbraw/zinc/27/26/66/980272666.db2.gz FWQQOAXINGPFGK-INIZCTEOSA-N -1 0 333.334 3.853 20 0 EHADRM CC[C@H](NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-])C1CCCC1 ZINC001595272127 980290397 /nfs/dbraw/zinc/29/03/97/980290397.db2.gz HYXWREVQMUNFAN-WFASDCNBSA-N -1 0 335.469 3.950 20 0 EHADRM CC[C@@H](Nc1cccc([C@@H]2CCC(=O)N2)c1)c1ccc(C(=O)[O-])cc1 ZINC001595318899 980503222 /nfs/dbraw/zinc/50/32/22/980503222.db2.gz SRMDARVAXSDEJT-MSOLQXFVSA-N -1 0 338.407 3.899 20 0 EHADRM Cc1nc(CNc2ccc(N3CCCCC3)c(C(=O)[O-])c2)cs1 ZINC000901773635 980503528 /nfs/dbraw/zinc/50/35/28/980503528.db2.gz FJJSXISXFDOBFE-UHFFFAOYSA-N -1 0 331.441 3.752 20 0 EHADRM CC[C@H](Nc1ccc(OCCOC)cc1)c1ccc(C(=O)[O-])cc1 ZINC001595319125 980505865 /nfs/dbraw/zinc/50/58/65/980505865.db2.gz ZWTIDRTUXSAGGC-SFHVURJKSA-N -1 0 329.396 3.973 20 0 EHADRM COCc1ccc(CNc2ccc(N3CCCCC3)c(C(=O)[O-])c2)o1 ZINC000901777523 980508459 /nfs/dbraw/zinc/50/84/59/980508459.db2.gz TYTUAJYTPRAUAY-UHFFFAOYSA-N -1 0 344.411 3.727 20 0 EHADRM CC[C@@H](Nc1cccnc1Cl)C(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001595323503 980524411 /nfs/dbraw/zinc/52/44/11/980524411.db2.gz VSZJAUQZKNAHFJ-CYBMUJFWSA-N -1 0 347.802 3.571 20 0 EHADRM Cc1ccc([C@H](NCc2nc3c(s2)CCCC3)C(=O)[O-])cc1C ZINC000901843421 980564810 /nfs/dbraw/zinc/56/48/10/980564810.db2.gz HCVBTZVKDBOPMX-KRWDZBQOSA-N -1 0 330.453 3.554 20 0 EHADRM CC[C@H](OC(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2)C(=O)[O-] ZINC001595335026 980586625 /nfs/dbraw/zinc/58/66/25/980586625.db2.gz HPZDWXOKZXHRHX-UKWWGCJFSA-N -1 0 334.334 3.542 20 0 EHADRM CC[C@H](OC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1cc(C)ccc1OC ZINC001595336669 980595315 /nfs/dbraw/zinc/59/53/15/980595315.db2.gz NUTHOMBZTZZMCR-LZWOXQAQSA-N -1 0 334.412 3.889 20 0 EHADRM CCc1nc(C)c([C@@H](C)N(C)C(=O)/C=C\c2ccc(C(=O)[O-])o2)s1 ZINC000901922428 980628893 /nfs/dbraw/zinc/62/88/93/980628893.db2.gz NLIUZRAQJBITTG-GXMKHXEJSA-N -1 0 348.424 3.538 20 0 EHADRM CC[C@H](OC(=O)c1ccc(-c2ccc(OC)cc2)cc1F)C(=O)[O-] ZINC001595349349 980653935 /nfs/dbraw/zinc/65/39/35/980653935.db2.gz XCIAMMZGKBQHLK-INIZCTEOSA-N -1 0 332.327 3.521 20 0 EHADRM CC[C@@H](OC(=O)c1nc(-c2ccccc2)oc1C1CC1)[C@@H](C)C(=O)[O-] ZINC001595354286 980690371 /nfs/dbraw/zinc/69/03/71/980690371.db2.gz RLAYAHOROLNDQO-BXUZGUMPSA-N -1 0 343.379 3.875 20 0 EHADRM CC[C@@H](OC(=O)c1nc(-c2ccccc2)oc1C1CC1)[C@H](C)C(=O)[O-] ZINC001595354289 980690388 /nfs/dbraw/zinc/69/03/88/980690388.db2.gz RLAYAHOROLNDQO-SMDDNHRTSA-N -1 0 343.379 3.875 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001595354652 980693859 /nfs/dbraw/zinc/69/38/59/980693859.db2.gz BBJFGZWKTNVKLP-PMPSAXMXSA-N -1 0 339.476 3.512 20 0 EHADRM CN(Cc1cnc(C2CCC2)s1)c1ccc(OCC(=O)[O-])cc1 ZINC000902017265 980693950 /nfs/dbraw/zinc/69/39/50/980693950.db2.gz PGAADIHBDPCXPZ-UHFFFAOYSA-N -1 0 332.425 3.510 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)N1CCCc2ccc(C)c(C(=O)[O-])c21 ZINC001595354669 980694575 /nfs/dbraw/zinc/69/45/75/980694575.db2.gz BIXMSEWBEIMFRJ-MRXNPFEDSA-N -1 0 345.439 3.710 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC001595355186 980699622 /nfs/dbraw/zinc/69/96/22/980699622.db2.gz QZCMJMYHIIVMHX-PMPSAXMXSA-N -1 0 339.476 3.606 20 0 EHADRM CN(C)C(=O)Cc1ccc(N[C@H]2CCC[C@@H](CCCC(=O)[O-])C2)cc1 ZINC000902113009 980740579 /nfs/dbraw/zinc/74/05/79/980740579.db2.gz SAHMQJMHJQWSLJ-YJBOKZPZSA-N -1 0 346.471 3.543 20 0 EHADRM CC[C@@H](c1ccc(F)cc1F)[S@@](=O)Cc1nc(C(=O)[O-])cs1 ZINC001595359819 980745090 /nfs/dbraw/zinc/74/50/90/980745090.db2.gz KZJZWJSIWQEQLB-YTEVENLXSA-N -1 0 345.392 3.520 20 0 EHADRM C[C@H]1CN(C(=O)c2cc3c(cccc3Cl)s2)CC[C@H]1C(=O)[O-] ZINC000902163924 980763568 /nfs/dbraw/zinc/76/35/68/980763568.db2.gz GMNHZMDXKIOANY-VHSXEESVSA-N -1 0 337.828 3.738 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@H]1CCCC(F)(F)C1 ZINC001595361973 980767105 /nfs/dbraw/zinc/76/71/05/980767105.db2.gz SOPMPIFHUQTMRW-GJZGRUSLSA-N -1 0 339.382 3.876 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)C[C@H](C)c1ccco1 ZINC001595362049 980767854 /nfs/dbraw/zinc/76/78/54/980767854.db2.gz VEYLVMJKYWHBAP-GOEBONIOSA-N -1 0 329.396 3.838 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)Cc1c(F)cccc1F ZINC001595362246 980769666 /nfs/dbraw/zinc/76/96/66/980769666.db2.gz ZHTJEUUHPIVRBW-KRWDZBQOSA-N -1 0 347.361 3.572 20 0 EHADRM CC[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC001595364500 980794705 /nfs/dbraw/zinc/79/47/05/980794705.db2.gz WVHRNTBXXWXJTM-DYVFJYSZSA-N -1 0 341.411 3.885 20 0 EHADRM Cc1cc(CNCc2ccc(C)cc2OCC2CC2)oc1C(=O)[O-] ZINC000902343744 980842428 /nfs/dbraw/zinc/84/24/28/980842428.db2.gz AUIROBDBWQKVBS-UHFFFAOYSA-N -1 0 329.396 3.673 20 0 EHADRM COCCOc1c(Cl)cc(N[C@H](C)[C@@H]2C[C@@H]2C(=O)[O-])cc1Cl ZINC000902380007 980862948 /nfs/dbraw/zinc/86/29/48/980862948.db2.gz FYRXANQFDBQOBI-MIMYLULJSA-N -1 0 348.226 3.540 20 0 EHADRM CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC001595374053 980879912 /nfs/dbraw/zinc/87/99/12/980879912.db2.gz TYJBPMLWMUUFNJ-JKSUJKDBSA-N -1 0 348.443 3.751 20 0 EHADRM CCC1(CC)CN(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)C1 ZINC001595375451 980896253 /nfs/dbraw/zinc/89/62/53/980896253.db2.gz LFPXGPLLDQCPEX-UHFFFAOYSA-N -1 0 334.416 3.826 20 0 EHADRM CCC1(CC)CCc2nc(NC(=O)c3cc(C(=O)[O-])co3)sc2C1 ZINC001595375958 980901473 /nfs/dbraw/zinc/90/14/73/980901473.db2.gz ZDJHPKFAHBHVSZ-UHFFFAOYSA-N -1 0 348.424 3.982 20 0 EHADRM CCC1(CC)Oc2ccc(NC(=O)c3cc(C(=O)[O-])co3)cc2O1 ZINC001595376610 980907156 /nfs/dbraw/zinc/90/71/56/980907156.db2.gz DVTIELUXCGGCAM-UHFFFAOYSA-N -1 0 331.324 3.518 20 0 EHADRM CC[C@@H]1C[C@H](CC(=O)Oc2cc(Cl)ccc2C(=O)[O-])CCO1 ZINC001595412264 981009614 /nfs/dbraw/zinc/00/96/14/981009614.db2.gz BIWYBTFUSSPLCB-ZYHUDNBSSA-N -1 0 326.776 3.539 20 0 EHADRM CC[C@@H]1C[C@H](CC(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)CCO1 ZINC001595413749 981016415 /nfs/dbraw/zinc/01/64/15/981016415.db2.gz RSIFXQMILKIKRC-DJSGYFEHSA-N -1 0 340.803 3.604 20 0 EHADRM CCC1CCC(NC(=O)CSc2ccc(C)cc2C)(C(=O)[O-])CC1 ZINC001595422317 981041447 /nfs/dbraw/zinc/04/14/47/981041447.db2.gz PCPYTFBTIKMMDG-UHFFFAOYSA-N -1 0 349.496 3.935 20 0 EHADRM CC[C@H]1CCC[C@H](NC(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)C1 ZINC001595432432 981057043 /nfs/dbraw/zinc/05/70/43/981057043.db2.gz PLJXPCFZPYTHFY-STQMWFEESA-N -1 0 348.418 3.560 20 0 EHADRM CC[C@@H]1CCC[C@H]1C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001595436656 981070262 /nfs/dbraw/zinc/07/02/62/981070262.db2.gz TZIFIIBLAWUOLD-KBRIMQKVSA-N -1 0 329.440 3.747 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001595441268 981079271 /nfs/dbraw/zinc/07/92/71/981079271.db2.gz PHJZVGCYZUOZTG-XOYOTBSWSA-N -1 0 331.456 3.651 20 0 EHADRM CC[C@@H]1CCCC[C@H]1CNC(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001595441807 981080380 /nfs/dbraw/zinc/08/03/80/981080380.db2.gz UEQCAIFGNXETBY-ZBFHGGJFSA-N -1 0 344.455 3.669 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2CCOC3(CCCC3)C2)cc1 ZINC000905005556 981085583 /nfs/dbraw/zinc/08/55/83/981085583.db2.gz DSEHMAMBPQACGC-UKRRQHHQSA-N -1 0 331.412 3.553 20 0 EHADRM CSc1ccc(NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)cc1C(=O)[O-] ZINC000905043423 981086589 /nfs/dbraw/zinc/08/65/89/981086589.db2.gz FZCNBOCALUQOGM-HYVNUMGLSA-N -1 0 339.416 3.631 20 0 EHADRM CSc1ccc(NC(=O)C[C@H]2CCC(C)(C)CO2)cc1C(=O)[O-] ZINC000905043698 981086720 /nfs/dbraw/zinc/08/67/20/981086720.db2.gz HWJPJLGLKLIMRH-GFCCVEGCSA-N -1 0 337.441 3.641 20 0 EHADRM CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001595444351 981087374 /nfs/dbraw/zinc/08/73/74/981087374.db2.gz NOGXOWHYULNCLW-IAQYHMDHSA-N -1 0 329.400 3.956 20 0 EHADRM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001595446590 981093380 /nfs/dbraw/zinc/09/33/80/981093380.db2.gz ADRJFUHHPRWGOH-IAQYHMDHSA-N -1 0 339.819 3.962 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001595447389 981095334 /nfs/dbraw/zinc/09/53/34/981095334.db2.gz GLYZFPAQXOMXQR-NJAFHUGGSA-N -1 0 347.455 3.612 20 0 EHADRM CCCCc1nc(CN[C@H](C(=O)[O-])c2ccc(F)c(C)c2)cs1 ZINC000905385413 981105101 /nfs/dbraw/zinc/10/51/01/981105101.db2.gz MBLZOJBLDQOMTB-INIZCTEOSA-N -1 0 336.432 3.849 20 0 EHADRM O=C([O-])c1ccc(CN2CCC(=Cc3cccc(F)c3)CC2)nc1 ZINC000905718361 981121720 /nfs/dbraw/zinc/12/17/20/981121720.db2.gz INSGMPSFVHOBKR-UHFFFAOYSA-N -1 0 326.371 3.598 20 0 EHADRM CC[C@H]1CCCN1C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001595459050 981134682 /nfs/dbraw/zinc/13/46/82/981134682.db2.gz OVZLHVSKXZQJJA-STQMWFEESA-N -1 0 344.333 3.572 20 0 EHADRM CC[C@H]1CCCc2sc(NC(=O)c3cc(C(=O)[O-])oc3C)nc21 ZINC001595459657 981139868 /nfs/dbraw/zinc/13/98/68/981139868.db2.gz KOELHYFMWCOWCY-VIFPVBQESA-N -1 0 334.397 3.825 20 0 EHADRM O=C([O-])[C@]1(C(=O)N[C@H]2CCCc3sccc32)C[C@H]1c1ccccc1 ZINC000907659392 981205079 /nfs/dbraw/zinc/20/50/79/981205079.db2.gz DJEASVKBZBSSHJ-YZVOILCLSA-N -1 0 341.432 3.500 20 0 EHADRM CC1=C(C)C[C@@](C)(C(=O)N(C)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC000907676810 981206601 /nfs/dbraw/zinc/20/66/01/981206601.db2.gz UDOCBEAHUXOOKO-IBGZPJMESA-N -1 0 331.412 3.639 20 0 EHADRM CC[C@@H]1CN(Cc2cc(C(=O)[O-])c(C)n2C)c2cccc(Cl)c2O1 ZINC001595489355 981238103 /nfs/dbraw/zinc/23/81/03/981238103.db2.gz TZUJCTPCVTVPLR-CYBMUJFWSA-N -1 0 348.830 3.863 20 0 EHADRM O=C([O-])c1ccccc1-c1ccccc1C(=O)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000908095648 981260715 /nfs/dbraw/zinc/26/07/15/981260715.db2.gz LBBUAEWKAUZSNE-CKFHNAJUSA-N -1 0 335.403 3.970 20 0 EHADRM CC/C=C(/F)C(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001595508146 981295248 /nfs/dbraw/zinc/29/52/48/981295248.db2.gz RQQUYOVTYBBVHH-BJTBTHHMSA-N -1 0 334.174 3.673 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)c2ccsc2C(F)(F)F)CCC1 ZINC000908338947 981303666 /nfs/dbraw/zinc/30/36/66/981303666.db2.gz RRFZJDRUPMOFJO-UHFFFAOYSA-N -1 0 349.374 3.922 20 0 EHADRM COc1c(NC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)cccc1C(=O)[O-] ZINC000908506168 981319168 /nfs/dbraw/zinc/31/91/68/981319168.db2.gz AAUQZWIUAJKXNA-BXUZGUMPSA-N -1 0 343.379 3.681 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)N2CCC(CC(=O)[O-])CC2)c1 ZINC000908682273 981338775 /nfs/dbraw/zinc/33/87/75/981338775.db2.gz YOBQXNGFGFGDTB-OAHLLOKOSA-N -1 0 347.455 3.682 20 0 EHADRM CCCCN(CCCC)C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC000908691004 981340404 /nfs/dbraw/zinc/34/04/04/981340404.db2.gz NFTQKALZVOSHBZ-UHFFFAOYSA-N -1 0 330.428 3.837 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1ccoc1CC(=O)[O-])c1ccc(F)cc1 ZINC000908730356 981349832 /nfs/dbraw/zinc/34/98/32/981349832.db2.gz VCDGGRDXKUFVNE-INIZCTEOSA-N -1 0 333.359 3.563 20 0 EHADRM C[C@@H](CCNC(=O)c1ccccc1CCC(=O)[O-])c1ccccc1 ZINC000908760605 981356119 /nfs/dbraw/zinc/35/61/19/981356119.db2.gz OORXXGXKVRSXOW-HNNXBMFYSA-N -1 0 325.408 3.627 20 0 EHADRM C[C@H](CCNC(=O)c1ccccc1CCC(=O)[O-])c1ccccc1 ZINC000908760606 981356295 /nfs/dbraw/zinc/35/62/95/981356295.db2.gz OORXXGXKVRSXOW-OAHLLOKOSA-N -1 0 325.408 3.627 20 0 EHADRM Cc1ccc([C@H](C)CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1 ZINC000908814048 981367333 /nfs/dbraw/zinc/36/73/33/981367333.db2.gz ZZNSTMWZBMPNDE-APMMTJHUSA-N -1 0 329.440 3.640 20 0 EHADRM C[C@H](CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2)Sc1ccccc1 ZINC000908825264 981368530 /nfs/dbraw/zinc/36/85/30/981368530.db2.gz NVUKYHAGNYUIQJ-FTXHTYHOSA-N -1 0 347.480 3.709 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N[C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000908828999 981369447 /nfs/dbraw/zinc/36/94/47/981369447.db2.gz TYFZPXPHUXXXQO-BBRMVZONSA-N -1 0 341.407 3.650 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000908835005 981371701 /nfs/dbraw/zinc/37/17/01/981371701.db2.gz MLYFBXHLUCJOBZ-BHYGNILZSA-N -1 0 347.480 3.518 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2CCOC3(CCCC3)C2)ccc1Cl ZINC000909113536 981420180 /nfs/dbraw/zinc/42/01/80/981420180.db2.gz UMGUKLWFBBWJCX-NSHDSACASA-N -1 0 337.803 3.716 20 0 EHADRM CC[C@@H](C)CCC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000909135083 981424489 /nfs/dbraw/zinc/42/44/89/981424489.db2.gz UNQZCZNZHZCVTD-GFCCVEGCSA-N -1 0 328.412 3.577 20 0 EHADRM CCCc1[nH]ccc1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000909224920 981437194 /nfs/dbraw/zinc/43/71/94/981437194.db2.gz JFCQXNVRWTZISA-UHFFFAOYSA-N -1 0 332.425 3.537 20 0 EHADRM Cc1ccc(-c2c[nH]cc2C(=O)NC[C@H](CC(C)C)C(=O)[O-])s1 ZINC000909292259 981461491 /nfs/dbraw/zinc/46/14/91/981461491.db2.gz OFAMRCNRXCLYRS-LBPRGKRZSA-N -1 0 334.441 3.528 20 0 EHADRM CCC[C@H](C)[C@@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001595570557 981474548 /nfs/dbraw/zinc/47/45/48/981474548.db2.gz DWHUBLHVHZNSJC-BBRMVZONSA-N -1 0 347.459 3.883 20 0 EHADRM O=C([O-])[C@@H](NCc1ccc(Cl)cc1F)c1cc(F)ccc1F ZINC000683173291 1014737874 /nfs/dbraw/zinc/73/78/74/1014737874.db2.gz JXTPTWDAJZSBPA-AWEZNQCLSA-N -1 0 329.705 3.673 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1ccc(F)c3ccccc13)CC2 ZINC000909449864 981494980 /nfs/dbraw/zinc/49/49/80/981494980.db2.gz HKPPNLZUKMORHV-UHFFFAOYSA-N -1 0 349.361 3.876 20 0 EHADRM Cc1c2cccc(Cl)c2[nH]c1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000909479785 981505276 /nfs/dbraw/zinc/50/52/76/981505276.db2.gz UHYXOBCSUQVDPL-LBPRGKRZSA-N -1 0 348.830 3.847 20 0 EHADRM CCC[C@H](CC(C)C)C(=O)N1c2c(cccc2C(=O)[O-])NC(=O)[C@H]1C ZINC001595580109 981513885 /nfs/dbraw/zinc/51/38/85/981513885.db2.gz ZFGATSZOACVNSO-CHWSQXEVSA-N -1 0 346.427 3.521 20 0 EHADRM O=C([O-])c1csc(NC(=O)C[C@@H](c2ccc(O)cc2)C2CC2)c1 ZINC000909515361 981522169 /nfs/dbraw/zinc/52/21/69/981522169.db2.gz JZLSSQGFSGPKEA-CQSZACIVSA-N -1 0 331.393 3.674 20 0 EHADRM CCC[C@H](CC)C(=O)N[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC001595585912 981527252 /nfs/dbraw/zinc/52/72/52/981527252.db2.gz INIGLBXZIBUZLS-GXFFZTMASA-N -1 0 342.233 3.517 20 0 EHADRM CCC[C@@H](CC(C)C)C(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001595586044 981528648 /nfs/dbraw/zinc/52/86/48/981528648.db2.gz NHDXNYYSVZNPQX-CQDIZWNASA-N -1 0 341.517 3.694 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000909552081 981539555 /nfs/dbraw/zinc/53/95/55/981539555.db2.gz NUSYXDTZENJJPQ-NSHDSACASA-N -1 0 343.345 3.522 20 0 EHADRM CCC[C@@H](CCc1ccccc1)NC(=O)c1ccsc1C(=O)[O-] ZINC001595591939 981548855 /nfs/dbraw/zinc/54/88/55/981548855.db2.gz QIDMZOPPIVMROM-AWEZNQCLSA-N -1 0 331.437 3.978 20 0 EHADRM CCC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1CCC(=O)[O-] ZINC001595594301 981561506 /nfs/dbraw/zinc/56/15/06/981561506.db2.gz PRFWVSMNBUOBJO-SFHVURJKSA-N -1 0 339.435 3.845 20 0 EHADRM O=C([O-])C[C@@H](NCc1nc2c(s1)CCC2)c1cccc(Cl)c1 ZINC000683173510 1014744740 /nfs/dbraw/zinc/74/47/40/1014744740.db2.gz KHZOVSHFPYRWGK-CYBMUJFWSA-N -1 0 336.844 3.591 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000909725724 981580671 /nfs/dbraw/zinc/58/06/71/981580671.db2.gz QIMOEUNTHOLAGB-ARFHVFGLSA-N -1 0 339.391 3.695 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)Nc1cc(C)ccc1OCc1ccccc1 ZINC000909729456 981583397 /nfs/dbraw/zinc/58/33/97/981583397.db2.gz YKJAYDRVJHGHLF-HNNXBMFYSA-N -1 0 327.380 3.623 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N[C@H](C)c1cccc(SC(F)(F)F)c1 ZINC001594747102 981637311 /nfs/dbraw/zinc/63/73/11/981637311.db2.gz GUEBJNQSZQRATM-LDYMZIIASA-N -1 0 335.347 3.587 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(F)F)cc1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000909817513 981639149 /nfs/dbraw/zinc/63/91/49/981639149.db2.gz CELGGLONUAFDSU-LRDDRELGSA-N -1 0 347.361 3.686 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)C2(Cc3ccc(F)cc3)CC2)c1 ZINC000909830875 981648909 /nfs/dbraw/zinc/64/89/09/981648909.db2.gz AKAQVLFMGBIXSZ-CYBMUJFWSA-N -1 0 341.382 3.975 20 0 EHADRM Cc1cc(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)nn1[C@H](C)C1CC1 ZINC000909831266 981649039 /nfs/dbraw/zinc/64/90/39/981649039.db2.gz OFAGDMGPAHSQIU-CHWSQXEVSA-N -1 0 341.411 3.603 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@@]2(c3ccccc3)C[C@H](F)C2)cc1 ZINC000909834187 981652536 /nfs/dbraw/zinc/65/25/36/981652536.db2.gz UGSGKXCLZCTRLE-OWDMVUQNSA-N -1 0 341.382 3.883 20 0 EHADRM COc1ccc2c(c1)[C@H](C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1)CC2 ZINC000909835687 981654834 /nfs/dbraw/zinc/65/48/34/981654834.db2.gz IMKSCUAEHCDDBC-SJKOYZFVSA-N -1 0 339.391 3.552 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)C2(Cc3ccc(F)cc3)CC2)cc1 ZINC000909835659 981655031 /nfs/dbraw/zinc/65/50/31/981655031.db2.gz HZQCIBJWRKJZAU-CYBMUJFWSA-N -1 0 341.382 3.975 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)CCCc2ccc(O)c(F)c2)c1 ZINC000909835805 981655673 /nfs/dbraw/zinc/65/56/73/981655673.db2.gz WICBWOVZSODELN-LBPRGKRZSA-N -1 0 345.370 3.681 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)NCC1(c2ccccc2Cl)CCCCC1 ZINC001594752725 981656021 /nfs/dbraw/zinc/65/60/21/981656021.db2.gz FKNWBBUHHIHUIA-ZDUSSCGKSA-N -1 0 337.847 3.769 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)Nc1nc2c(s1)C[C@H](C(C)(C)CC)CC2 ZINC001594762600 981699333 /nfs/dbraw/zinc/69/93/33/981699333.db2.gz WXDSOZBUALCCEG-MNOVXSKESA-N -1 0 338.473 3.734 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cscc2C(F)F)[C@@H]2CCCC[C@@H]12 ZINC000909961959 981715021 /nfs/dbraw/zinc/71/50/21/981715021.db2.gz MULFMFWFUAQODE-OPQQBVKSSA-N -1 0 343.395 3.791 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@@H]3C[C@H]3c3ccc(Cl)cc3)(CC1)CC2 ZINC000910017630 981735589 /nfs/dbraw/zinc/73/55/89/981735589.db2.gz KWMCUCAFWIZYGE-WINGESFGSA-N -1 0 347.842 3.737 20 0 EHADRM O=C([O-])C12CCC(C(=O)NCc3ccc(C4CCC4)cc3)(CC1)CC2 ZINC000910020856 981736547 /nfs/dbraw/zinc/73/65/47/981736547.db2.gz DDSSZEXYGLRIPJ-UHFFFAOYSA-N -1 0 341.451 3.996 20 0 EHADRM C/C=C(/CC)C(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC000910082370 981754379 /nfs/dbraw/zinc/75/43/79/981754379.db2.gz MGRYQFCFORSPSF-WTKPLQERSA-N -1 0 326.190 3.751 20 0 EHADRM Cc1c(NC(=O)[C@@H](C)C(C)C)cc(Br)cc1C(=O)[O-] ZINC000910083324 981754721 /nfs/dbraw/zinc/75/47/21/981754721.db2.gz JYNXCNJGPJABNF-QMMMGPOBSA-N -1 0 328.206 3.686 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@@H]1CCCc2ccccc21 ZINC001594782497 981791287 /nfs/dbraw/zinc/79/12/87/981791287.db2.gz QMAZIJIQHKVQMA-XLIONFOSSA-N -1 0 329.440 3.598 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)COc1ccc(C(C)C)cc1 ZINC001594783695 981795947 /nfs/dbraw/zinc/79/59/47/981795947.db2.gz ZILPFKMAFUGHGN-HXUWFJFHSA-N -1 0 347.455 3.681 20 0 EHADRM CSCCc1ccc(NC(=O)c2ccccc2CCC(=O)[O-])cc1 ZINC000910242973 981811682 /nfs/dbraw/zinc/81/16/82/981811682.db2.gz KMWCETBCVMDESB-UHFFFAOYSA-N -1 0 343.448 3.862 20 0 EHADRM CC(C)c1cccc(CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC000910252491 981827590 /nfs/dbraw/zinc/82/75/90/981827590.db2.gz CVPLPFBZFZXRBT-UHFFFAOYSA-N -1 0 329.440 3.851 20 0 EHADRM C/C=C(/CC)C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000910254214 981830305 /nfs/dbraw/zinc/83/03/05/981830305.db2.gz HDLIFHPZFIKFDS-WTKPLQERSA-N -1 0 326.190 3.751 20 0 EHADRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)/C=C\C(C)(C)C ZINC000910256145 981833065 /nfs/dbraw/zinc/83/30/65/981833065.db2.gz SXDPKYAVJBEUNX-WAYWQWQTSA-N -1 0 340.217 3.997 20 0 EHADRM CCn1cc(Cl)cc1C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000910297141 981851271 /nfs/dbraw/zinc/85/12/71/981851271.db2.gz VIFVZXABVBKROO-UONOGXRCSA-N -1 0 332.787 3.602 20 0 EHADRM CC[C@@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cc(F)c(Cl)cc1F ZINC001594792839 981864851 /nfs/dbraw/zinc/86/48/51/981864851.db2.gz SKWDWFUSFLRDLA-INIZCTEOSA-N -1 0 345.773 3.724 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1ccc(C)c2cccnc12 ZINC001594793533 981865410 /nfs/dbraw/zinc/86/54/10/981865410.db2.gz UKSRQZJUMJGKJW-HXUWFJFHSA-N -1 0 340.423 3.649 20 0 EHADRM Cc1sc([C@H]2CCCN2c2nc(C)cc(C(C)C)n2)nc1C(=O)[O-] ZINC000910316592 981870734 /nfs/dbraw/zinc/87/07/34/981870734.db2.gz TVMGWDSTVXOCCN-CYBMUJFWSA-N -1 0 346.456 3.713 20 0 EHADRM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N[C@@H](CC(F)F)C(=O)[O-])CC1 ZINC001594796912 981883074 /nfs/dbraw/zinc/88/30/74/981883074.db2.gz QXFAIDYVDWQGNT-DVAPBTGTSA-N -1 0 345.430 3.844 20 0 EHADRM CCCC[C@@H](NC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001595634209 981883953 /nfs/dbraw/zinc/88/39/53/981883953.db2.gz KQJYNGMWZCAVGV-GXFFZTMASA-N -1 0 331.334 3.569 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3CCC(c4ccc(F)cc4)CC3)(CC1)C2 ZINC000910348766 981884470 /nfs/dbraw/zinc/88/44/70/981884470.db2.gz LPJYMHMCAHYDPC-UHFFFAOYSA-N -1 0 345.414 3.567 20 0 EHADRM CCC(C)(C)OCc1ccccc1NC(=O)c1ccnc(C(=O)[O-])c1 ZINC001594814406 981938182 /nfs/dbraw/zinc/93/81/82/981938182.db2.gz MEZUYIFMWSLVAE-UHFFFAOYSA-N -1 0 342.395 3.737 20 0 EHADRM Cc1ccsc1CCCC(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC000910500957 981966699 /nfs/dbraw/zinc/96/66/99/981966699.db2.gz QXKPFWGNPSRUDP-UHFFFAOYSA-N -1 0 343.448 3.662 20 0 EHADRM CCCOc1ccc(NC(=O)CCSCC(=O)[O-])cc1C(C)C ZINC000910523220 981983308 /nfs/dbraw/zinc/98/33/08/981983308.db2.gz ZWODBAFEKQKYED-UHFFFAOYSA-N -1 0 339.457 3.745 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1C[C@H]1c1sccc1C ZINC000910620518 982026347 /nfs/dbraw/zinc/02/63/47/982026347.db2.gz NKXYTZWTJDBWSZ-OLZOCXBDSA-N -1 0 345.420 3.896 20 0 EHADRM CCCC[C@@H](S[C@@H](C)C(=O)N(C)Cc1cccc(F)c1)C(=O)[O-] ZINC001595651867 982027948 /nfs/dbraw/zinc/02/79/48/982027948.db2.gz LXTKPYRLBLZDNF-SWLSCSKDSA-N -1 0 341.448 3.549 20 0 EHADRM CCCC[C@@H](S[C@H](C)C(=O)Nc1cc(C)ccc1OC)C(=O)[O-] ZINC001595652696 982036085 /nfs/dbraw/zinc/03/60/85/982036085.db2.gz WKBHZPPJAGUHSM-IUODEOHRSA-N -1 0 339.457 3.707 20 0 EHADRM CCCC[C@H](S[C@H](C)C(=O)N(CC)C1CCCCC1)C(=O)[O-] ZINC001595653019 982038698 /nfs/dbraw/zinc/03/86/98/982038698.db2.gz ZVOYTJRQPJQVIV-HIFRSBDPSA-N -1 0 329.506 3.933 20 0 EHADRM CC(C)Cn1ncc(NC(=O)/C=C/c2cc(C(=O)[O-])co2)c1C(C)C ZINC000910650144 982041555 /nfs/dbraw/zinc/04/15/55/982041555.db2.gz STRSRUWDOHKCRN-AATRIKPKSA-N -1 0 345.399 3.606 20 0 EHADRM CC[C@@](C)(NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])C1CC1 ZINC001594841614 982056685 /nfs/dbraw/zinc/05/66/85/982056685.db2.gz LDNLTWAIUOVYMW-DNVCBOLYSA-N -1 0 332.444 3.716 20 0 EHADRM CCCC[C@@H](SCc1cccc(C(=O)NCC(C)C)c1)C(=O)[O-] ZINC001595657992 982068463 /nfs/dbraw/zinc/06/84/63/982068463.db2.gz YGGQECACYPBQCZ-MRXNPFEDSA-N -1 0 337.485 3.949 20 0 EHADRM CC(C)c1sc(NC(=O)C2(Nc3ccccc3)CC2)nc1C(=O)[O-] ZINC000910700542 982070664 /nfs/dbraw/zinc/07/06/64/982070664.db2.gz JDCLVEFKSUWEQH-UHFFFAOYSA-N -1 0 345.424 3.548 20 0 EHADRM CCCCC[C@@H](NC(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1)C(=O)[O-] ZINC001595670509 982119054 /nfs/dbraw/zinc/11/90/54/982119054.db2.gz QWCNYWSWOJEKOB-WMLDXEAASA-N -1 0 349.471 3.901 20 0 EHADRM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)NCC(C)(C)CC(=O)[O-] ZINC000910821060 982137886 /nfs/dbraw/zinc/13/78/86/982137886.db2.gz NAJCDGPLOKQSKJ-LLVKDONJSA-N -1 0 345.361 3.501 20 0 EHADRM CCCCC[C@@H](NC(=O)C[C@H](C)c1c[nH]c2ccccc21)C(=O)[O-] ZINC001595673217 982139619 /nfs/dbraw/zinc/13/96/19/982139619.db2.gz WEGLYCLKGGVEAD-SUMWQHHRSA-N -1 0 330.428 3.811 20 0 EHADRM CC(C)(CNC(=O)c1sc2cccc(F)c2c1Cl)CC(=O)[O-] ZINC000910831291 982142599 /nfs/dbraw/zinc/14/25/99/982142599.db2.gz KQVVJXZMXMVIIZ-UHFFFAOYSA-N -1 0 343.807 3.925 20 0 EHADRM C[C@@H]1CN(C(=O)c2sccc2-c2ccccc2)C[C@H]1CC(=O)[O-] ZINC000910867447 982156652 /nfs/dbraw/zinc/15/66/52/982156652.db2.gz XJEPRKXIDCXATO-TZMCWYRMSA-N -1 0 329.421 3.598 20 0 EHADRM CCCCn1ncc(C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)c1C ZINC000910946971 982171513 /nfs/dbraw/zinc/17/15/13/982171513.db2.gz XKZFFPXQRMTHPP-UHFFFAOYSA-N -1 0 347.440 3.664 20 0 EHADRM CC[C@@H](C)[C@@H](C(=O)N(C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001594866279 982174491 /nfs/dbraw/zinc/17/44/91/982174491.db2.gz QLIHZIWKKFLHEU-BXUZGUMPSA-N -1 0 332.425 3.634 20 0 EHADRM CSc1ccc(NC(=O)CO[C@@H]2CCCC[C@H]2C)cc1C(=O)[O-] ZINC000910950644 982174667 /nfs/dbraw/zinc/17/46/67/982174667.db2.gz ZHTDTCLRSPAKLT-BXUZGUMPSA-N -1 0 337.441 3.641 20 0 EHADRM CC[C@H](C)[C@@H](C)C(=O)N[C@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001594872179 982186492 /nfs/dbraw/zinc/18/64/92/982186492.db2.gz AIVFRJNQIZQBBW-JKDFXYPNSA-N -1 0 325.836 3.828 20 0 EHADRM CCCCCCC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC001595690191 982192567 /nfs/dbraw/zinc/19/25/67/982192567.db2.gz KMRKGAGHJVSFTE-UHFFFAOYSA-N -1 0 328.412 3.721 20 0 EHADRM CCCCC[C@@H]1CCCN1C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001595691099 982205041 /nfs/dbraw/zinc/20/50/41/982205041.db2.gz ZLKURHFRVDUXPD-CQSZACIVSA-N -1 0 342.439 3.980 20 0 EHADRM C[C@@]1(Cc2cccs2)CCCN1C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000911060293 982218822 /nfs/dbraw/zinc/21/88/22/982218822.db2.gz BXLGGUYULGUELK-IWHGQQBYSA-N -1 0 345.420 3.676 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000911083749 982230078 /nfs/dbraw/zinc/23/00/78/982230078.db2.gz ZNYYBFQPGCWYEF-HUUCEWRRSA-N -1 0 333.428 3.831 20 0 EHADRM CC[C@H](C)[C@@H](C)NC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001594881950 982245838 /nfs/dbraw/zinc/24/58/38/982245838.db2.gz VSMMUBVOWLBCOZ-WOSRLPQWSA-N -1 0 332.444 3.539 20 0 EHADRM CCCCCCN(O)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001595708966 982288688 /nfs/dbraw/zinc/28/86/88/982288688.db2.gz NTXBNARGUNGDAR-OAHLLOKOSA-N -1 0 336.432 3.820 20 0 EHADRM CCCCCCO[C@H](C)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001595710934 982297049 /nfs/dbraw/zinc/29/70/49/982297049.db2.gz OMWRSAJHVNNNPR-SNVBAGLBSA-N -1 0 329.343 3.587 20 0 EHADRM CCCCCCO[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001595711184 982297695 /nfs/dbraw/zinc/29/76/95/982297695.db2.gz QVHLNDMKMNIBQV-NSHDSACASA-N -1 0 327.808 3.962 20 0 EHADRM CCCCCCOCC(=O)N1CCCCc2cc(C(=O)[O-])ccc21 ZINC001595711369 982299506 /nfs/dbraw/zinc/29/95/06/982299506.db2.gz VUNFQPHMLWWRJG-UHFFFAOYSA-N -1 0 333.428 3.651 20 0 EHADRM COc1cccc(C=C2CCN(C(=O)c3c([O-])cccc3F)CC2)c1 ZINC000274751964 1014830194 /nfs/dbraw/zinc/83/01/94/1014830194.db2.gz PONNRCXGKFCMKX-UHFFFAOYSA-N -1 0 341.382 3.860 20 0 EHADRM CCCCN1C(=O)N[C@@H](c2ccc(OC(C)C)cc2)C(C(=O)[O-])=C1C ZINC001595749671 982426548 /nfs/dbraw/zinc/42/65/48/982426548.db2.gz SEAXIAVYERNGSA-KRWDZBQOSA-N -1 0 346.427 3.699 20 0 EHADRM CS[C@H]1CCN(C(=O)c2ccccc2-c2ccccc2C(=O)[O-])C1 ZINC000911496645 982456219 /nfs/dbraw/zinc/45/62/19/982456219.db2.gz AJAMVGFBEPEUJI-ZDUSSCGKSA-N -1 0 341.432 3.629 20 0 EHADRM CCCCNc1ccccc1C(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC001595763264 982471059 /nfs/dbraw/zinc/47/10/59/982471059.db2.gz GHVSMSONOJCNEV-UHFFFAOYSA-N -1 0 338.407 3.800 20 0 EHADRM CCCCNc1nnc(SCc2ccccc2CC(=O)[O-])s1 ZINC001595763704 982473908 /nfs/dbraw/zinc/47/39/08/982473908.db2.gz RKHDLJRSENIHQZ-UHFFFAOYSA-N -1 0 337.470 3.670 20 0 EHADRM CCCCO[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC001595765265 982489309 /nfs/dbraw/zinc/48/93/09/982489309.db2.gz JQHIXEPOFLUECJ-VIFPVBQESA-N -1 0 333.306 3.547 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCC[C@@H]1c1ccc(F)cc1F ZINC000911545497 982489500 /nfs/dbraw/zinc/48/95/00/982489500.db2.gz PHQKIKGTGUTNIG-CQSZACIVSA-N -1 0 325.355 3.519 20 0 EHADRM COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)CC(C)(C)CC(=O)[O-] ZINC000911573943 982511409 /nfs/dbraw/zinc/51/14/09/982511409.db2.gz SUTRMHPRYPCJMY-HOCLYGCPSA-N -1 0 347.455 3.886 20 0 EHADRM CC1(C)CCC[C@H]1C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000911597319 982529138 /nfs/dbraw/zinc/52/91/38/982529138.db2.gz FXWLVXOKXCKSGT-KRWDZBQOSA-N -1 0 344.455 3.614 20 0 EHADRM CCC(CC)[C@@H](C)C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000911599336 982532046 /nfs/dbraw/zinc/53/20/46/982532046.db2.gz QFLGKDGFSHWHTE-CQSZACIVSA-N -1 0 346.471 3.860 20 0 EHADRM CCCCOc1ccc(CNc2cc(C(=O)[O-])ncn2)cc1Cl ZINC001595775421 982536249 /nfs/dbraw/zinc/53/62/49/982536249.db2.gz CQUUJCVRJVWGIY-UHFFFAOYSA-N -1 0 335.791 3.619 20 0 EHADRM CC[C@@H](C)[C@H](Sc1nnc2n1c1ccccc1n2C(C)C)C(=O)[O-] ZINC001594928926 982544008 /nfs/dbraw/zinc/54/40/08/982544008.db2.gz PLFVSNFYHGWJGM-RISCZKNCSA-N -1 0 346.456 3.856 20 0 EHADRM CCCCOc1ccc(C(=O)Nc2cc(C(=O)[O-])cnc2Cl)cc1 ZINC001595776898 982545831 /nfs/dbraw/zinc/54/58/31/982545831.db2.gz MGCFNHIQLVVKSS-UHFFFAOYSA-N -1 0 348.786 3.864 20 0 EHADRM CC[C@@H](C)[C@H]1CCCCN1C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001594931849 982572138 /nfs/dbraw/zinc/57/21/38/982572138.db2.gz XLUWBXOXLZIGCT-CXAGYDPISA-N -1 0 342.439 3.836 20 0 EHADRM CCCCS[C@@H](C)C(=O)Oc1cc(/C=C\C(=O)[O-])ccc1OC ZINC001595788859 982585699 /nfs/dbraw/zinc/58/56/99/982585699.db2.gz DQZQNRSBIITHEY-UPZNUWHASA-N -1 0 338.425 3.620 20 0 EHADRM CCCCc1ccc(C(=O)COC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC001595793632 982596445 /nfs/dbraw/zinc/59/64/45/982596445.db2.gz KJFMPBBMDGBQJS-QAQDUYKDSA-N -1 0 346.423 3.646 20 0 EHADRM CCCCc1nc(COC(=O)c2ccc(/C=C/C(=O)[O-])o2)cs1 ZINC001595799217 982612839 /nfs/dbraw/zinc/61/28/39/982612839.db2.gz PIURRPHMAQRFGF-SOFGYWHQSA-N -1 0 335.381 3.534 20 0 EHADRM CCCCc1nc(COc2cc(C(=O)[O-])cc(C(=O)OC)c2)cs1 ZINC001595799449 982613111 /nfs/dbraw/zinc/61/31/11/982613111.db2.gz RAKMMUDBPOWQTN-UHFFFAOYSA-N -1 0 349.408 3.550 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)c1cc2c(ccc3ccccc23)[nH]1)C(=O)[O-] ZINC001594944658 982627636 /nfs/dbraw/zinc/62/76/36/982627636.db2.gz HNIPCVDTZGUFGX-KPZWWZAWSA-N -1 0 338.407 3.940 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1)C(=O)[O-] ZINC001594946990 982645748 /nfs/dbraw/zinc/64/57/48/982645748.db2.gz VYCULXGQWQFPGP-MISXGVKJSA-N -1 0 345.361 3.972 20 0 EHADRM CCCN(C(=O)[C@@H](CC)c1cccc(C(F)(F)F)c1)[C@H](C)C(=O)[O-] ZINC001595814746 982661344 /nfs/dbraw/zinc/66/13/44/982661344.db2.gz SXHMBWQBSBPJIO-RISCZKNCSA-N -1 0 345.361 3.911 20 0 EHADRM COc1cccc([C@H](C)CC(=O)Nc2cc(C(=O)[O-])sc2C)c1 ZINC000923094759 982719558 /nfs/dbraw/zinc/71/95/58/982719558.db2.gz PHQYAWDJYLTMNM-SNVBAGLBSA-N -1 0 333.409 3.896 20 0 EHADRM CC(C)Oc1c(NC(=O)[C@@H]2CCO[C@@H](C(C)C)C2)cccc1C(=O)[O-] ZINC000923111381 982731928 /nfs/dbraw/zinc/73/19/28/982731928.db2.gz RADQTDYOKPRDEF-CZUORRHYSA-N -1 0 349.427 3.562 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)Cc1cc(Cl)cc2ccccc21 ZINC001594974666 982745865 /nfs/dbraw/zinc/74/58/65/982745865.db2.gz KKQUJLHQCVNNQP-LBPRGKRZSA-N -1 0 333.815 3.747 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cc(Cl)cc2ccccc21 ZINC000923153058 982766420 /nfs/dbraw/zinc/76/64/20/982766420.db2.gz ONBNCRHSMOQNHD-DGCLKSJQSA-N -1 0 331.799 3.819 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1ccc(C(C)(C)C)c(Cl)c1 ZINC000923155568 982772170 /nfs/dbraw/zinc/77/21/70/982772170.db2.gz NBIFNQKPENNBJF-DGCLKSJQSA-N -1 0 337.847 3.963 20 0 EHADRM CC(C)[C@@H]1C[C@H](CC(=O)Nc2cc(F)cc(Cl)c2[O-])CCO1 ZINC000274757758 1014872028 /nfs/dbraw/zinc/87/20/28/1014872028.db2.gz YDUZBVSDJGVGCG-YGRLFVJLSA-N -1 0 329.799 3.965 20 0 EHADRM CCCN(CC(=O)[O-])c1nc(C)nc2scc(-c3ccccc3)c21 ZINC001595859662 982791777 /nfs/dbraw/zinc/79/17/77/982791777.db2.gz QMSSITJBTAAGQS-UHFFFAOYSA-N -1 0 341.436 3.968 20 0 EHADRM CC[C@H](C)Oc1cc(SCc2ccccc2C(=O)[O-])nc(C)n1 ZINC001594999215 982905691 /nfs/dbraw/zinc/90/56/91/982905691.db2.gz BHCMZISUKNIFLX-NSHDSACASA-N -1 0 332.425 3.953 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)N(CC(C)C)C(C)(C)C(=O)[O-])cc1 ZINC001594999487 982907723 /nfs/dbraw/zinc/90/77/23/982907723.db2.gz IBEUIPVNZCDVEK-CQSZACIVSA-N -1 0 335.444 3.825 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N[C@H](CC(=O)[O-])C2CCCC2)cc1 ZINC001594999705 982910273 /nfs/dbraw/zinc/91/02/73/982910273.db2.gz OMHFBCQYGFVXRP-SUMWQHHRSA-N -1 0 333.428 3.627 20 0 EHADRM CCCN(Cc1cc(C(=O)[O-])ccc1Cl)[C@H](CC)C(=O)OCC ZINC001595885868 982910709 /nfs/dbraw/zinc/91/07/09/982910709.db2.gz KDOUKAVJZNEUBM-OAHLLOKOSA-N -1 0 341.835 3.592 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)N(CC(=O)[O-])C1CCCC1 ZINC001595004703 982918200 /nfs/dbraw/zinc/91/82/00/982918200.db2.gz LDELFKDYSOHREJ-LHNRBYRGSA-N -1 0 345.439 3.733 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C\C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC001595004653 982918554 /nfs/dbraw/zinc/91/85/54/982918554.db2.gz JNBQJXMKLIOFKD-URKBDMSMSA-N -1 0 345.439 3.637 20 0 EHADRM CCCN(Cc1ccc(F)cc1)C(=O)c1ccccc1CCC(=O)[O-] ZINC001595889050 982920007 /nfs/dbraw/zinc/92/00/07/982920007.db2.gz XHDJCPSUSXCGLY-UHFFFAOYSA-N -1 0 343.398 3.895 20 0 EHADRM Cc1ccc2c(c1)N[C@@H](c1ccc(-c3ccc(C(=O)[O-])cc3)o1)NC2=O ZINC001119306088 982976600 /nfs/dbraw/zinc/97/66/00/982976600.db2.gz VQRBPHDDYBXJIZ-GOSISDBHSA-N -1 0 348.358 3.807 20 0 EHADRM Cc1oc(CN(C)Cc2cc3cc(Cl)cnc3o2)cc1C(=O)[O-] ZINC001119532420 982981382 /nfs/dbraw/zinc/98/13/82/982981382.db2.gz WKRBTOXMFJMFAE-UHFFFAOYSA-N -1 0 334.759 3.713 20 0 EHADRM CCCNc1ccc(C(F)(F)F)cc1NC(=O)C[C@@H](C)CC(=O)[O-] ZINC001595936979 983081148 /nfs/dbraw/zinc/08/11/48/983081148.db2.gz SSKXHXJCIWQHBR-SNVBAGLBSA-N -1 0 346.349 3.967 20 0 EHADRM CCCOc1ccc(C(C)(C)NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC001595955029 983143310 /nfs/dbraw/zinc/14/33/10/983143310.db2.gz WEDKNEXUAZPLSH-LSDHHAIUSA-N -1 0 347.455 3.718 20 0 EHADRM CCCOc1ccc(NC(=O)NC(CC)(CC)CC(=O)[O-])c(C)c1 ZINC001595960143 983149000 /nfs/dbraw/zinc/14/90/00/983149000.db2.gz AYEDMIRQVIHTKV-UHFFFAOYSA-N -1 0 336.432 3.939 20 0 EHADRM CCCOc1ccc(NC(=O)N[C@@H]2CC=C(C(=O)[O-])C2)cc1C(C)C ZINC001595960396 983151464 /nfs/dbraw/zinc/15/14/64/983151464.db2.gz HWXNORCPCISKBQ-CQSZACIVSA-N -1 0 346.427 3.894 20 0 EHADRM CCCOc1ccc(NC(=O)NCC(CC)(CC)C(=O)[O-])cc1C ZINC001595960661 983153571 /nfs/dbraw/zinc/15/35/71/983153571.db2.gz NDJGPTBNTWBZCS-UHFFFAOYSA-N -1 0 336.432 3.796 20 0 EHADRM CCCOc1ccc(NCc2ccc(C(=O)[O-])cc2F)cc1OC ZINC001595966066 983170395 /nfs/dbraw/zinc/17/03/95/983170395.db2.gz AHLRJPAUNTVPOH-UHFFFAOYSA-N -1 0 333.359 3.933 20 0 EHADRM CCCOc1ccc(NCc2[nH]cc(C(=O)[O-])c2C2CC2)cc1OC ZINC001595966699 983173336 /nfs/dbraw/zinc/17/33/36/983173336.db2.gz PECIJHFUUTVOOD-UHFFFAOYSA-N -1 0 344.411 4.000 20 0 EHADRM CCCOc1ccc(OCC(=O)Nc2cc(C(=O)[O-])sc2C)cc1 ZINC001595966933 983175867 /nfs/dbraw/zinc/17/58/67/983175867.db2.gz WQOSJOMSHKDNEI-UHFFFAOYSA-N -1 0 349.408 3.561 20 0 EHADRM CCC[C@@H](NC(=O)c1ccc(-c2cccc3cccnc32)cc1)C(=O)[O-] ZINC001595996028 983252201 /nfs/dbraw/zinc/25/22/01/983252201.db2.gz UGHXMOQORCXXJS-GOSISDBHSA-N -1 0 348.402 3.885 20 0 EHADRM CCC[C@@H]1C[C@H]1C(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC001596008836 983268571 /nfs/dbraw/zinc/26/85/71/983268571.db2.gz OLQLWSNNOZHEAW-TZMCWYRMSA-N -1 0 343.345 3.555 20 0 EHADRM CCCc1c(C(=O)NCCc2c(C)cccc2C)[nH]c(C)c1C(=O)[O-] ZINC001596037775 983323218 /nfs/dbraw/zinc/32/32/18/983323218.db2.gz NNHSUZXEMBVSLH-UHFFFAOYSA-N -1 0 342.439 3.563 20 0 EHADRM CCCc1c(C(=O)NCC[C@@H]2CCCC2(C)C)[nH]c(C)c1C(=O)[O-] ZINC001596038007 983325488 /nfs/dbraw/zinc/32/54/88/983325488.db2.gz TYROGSWNNKTNFJ-ZDUSSCGKSA-N -1 0 334.460 3.920 20 0 EHADRM CCCc1c(C(=O)Nc2ccc(C3CCC3)cn2)[nH]c(C)c1C(=O)[O-] ZINC001596045373 983332868 /nfs/dbraw/zinc/33/28/68/983332868.db2.gz MRHSLGWEFLOWQX-UHFFFAOYSA-N -1 0 341.411 3.889 20 0 EHADRM CCCc1c(N[C@@H]2CC[C@H](C(=O)[O-])C2)cnn1-c1cccc(C)c1 ZINC001596050456 983348568 /nfs/dbraw/zinc/34/85/68/983348568.db2.gz IKLXCKKCZNOFEB-LSDHHAIUSA-N -1 0 327.428 3.798 20 0 EHADRM CCCc1ccc(C(=O)N(C)[C@H](C(=O)[O-])c2cccc(OC)c2)cc1 ZINC001596060533 983368796 /nfs/dbraw/zinc/36/87/96/983368796.db2.gz IFBRWADNNFZVGV-SFHVURJKSA-N -1 0 341.407 3.546 20 0 EHADRM CCCc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)s1 ZINC001596060584 983369176 /nfs/dbraw/zinc/36/91/76/983369176.db2.gz LUDVKAIVPITTEQ-MRXNPFEDSA-N -1 0 331.437 3.873 20 0 EHADRM CCCc1ccc([C@H](NC(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)C(C)C)cc1 ZINC001596062325 983371362 /nfs/dbraw/zinc/37/13/62/983371362.db2.gz FIKBGGPHEYBLOO-FHLIZLRMSA-N -1 0 346.471 3.841 20 0 EHADRM CCCc1nc(C)c(COc2cc(/C=C\C(=O)[O-])ccc2OC)o1 ZINC001596083147 983404412 /nfs/dbraw/zinc/40/44/12/983404412.db2.gz IHCTXGAAVCXNFO-CLFYSBASSA-N -1 0 331.368 3.621 20 0 EHADRM CCCc1occc1C(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-] ZINC001596102589 983427564 /nfs/dbraw/zinc/42/75/64/983427564.db2.gz IHFIWWSGEDUPNA-UHFFFAOYSA-N -1 0 325.723 3.975 20 0 EHADRM CCN(C(=O)[C@H](C)CC(=O)[O-])[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001596126668 983466107 /nfs/dbraw/zinc/46/61/07/983466107.db2.gz DUPZWZGFILFVOJ-VXGBXAGGSA-N -1 0 345.361 3.596 20 0 EHADRM CCN(C(=O)CC(=O)[O-])[C@@H](c1ccc(C(C)C)cc1)c1cccnc1 ZINC001596134042 983482891 /nfs/dbraw/zinc/48/28/91/983482891.db2.gz QPVQKJBULZPXDX-FQEVSTJZSA-N -1 0 340.423 3.618 20 0 EHADRM CCN(C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1)C(C)(C)C(=O)[O-] ZINC001596134091 983483255 /nfs/dbraw/zinc/48/32/55/983483255.db2.gz SCRJLMYLQIMBPU-NSHDSACASA-N -1 0 345.361 3.911 20 0 EHADRM CCN(C(=O)/C=C/c1ccc2cc(OC)ccc2c1)C(C)(C)C(=O)[O-] ZINC001596134437 983483622 /nfs/dbraw/zinc/48/36/22/983483622.db2.gz ZCMASWATYHBTKU-YRNVUSSQSA-N -1 0 341.407 3.573 20 0 EHADRM CCN(C(=O)[C@H]1CC[C@H](C(F)(F)F)C1)c1ccccc1C(=O)[O-] ZINC001596138330 983489168 /nfs/dbraw/zinc/48/91/68/983489168.db2.gz RPIJOZXHDCULHY-QWRGUYRKSA-N -1 0 329.318 3.716 20 0 EHADRM CCN(C(=O)Cn1cc(C(=O)[O-])c2ccccc21)c1cccc(C)c1 ZINC001596148175 983504351 /nfs/dbraw/zinc/50/43/51/983504351.db2.gz SYJORPXGCHFIPX-UHFFFAOYSA-N -1 0 336.391 3.701 20 0 EHADRM CCN(C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)c1ccc2ccccc2c1 ZINC001596156922 983517156 /nfs/dbraw/zinc/51/71/56/983517156.db2.gz QBQAURXTATUYOD-ZWKOTPCHSA-N -1 0 341.407 3.605 20 0 EHADRM CCN(C(=O)c1[nH]ccc1-c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001596161342 983525252 /nfs/dbraw/zinc/52/52/52/983525252.db2.gz SHNODUBOSMGUQE-UHFFFAOYSA-N -1 0 341.392 3.503 20 0 EHADRM CCN(C(=O)c1ccc(F)c(SC)c1)c1ccccc1C(=O)[O-] ZINC001596166996 983530803 /nfs/dbraw/zinc/53/08/03/983530803.db2.gz AHMKPGCDIHLYJV-UHFFFAOYSA-N -1 0 333.384 3.913 20 0 EHADRM CCN(C(=O)c1ccc(Oc2ncccc2C)cc1)C(C)(C)C(=O)[O-] ZINC001596169809 983534286 /nfs/dbraw/zinc/53/42/86/983534286.db2.gz RUEBYJULQWIHEW-UHFFFAOYSA-N -1 0 342.395 3.508 20 0 EHADRM CCN(CC)C(=O)N[C@@H](CC(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC001596249080 983652304 /nfs/dbraw/zinc/65/23/04/983652304.db2.gz PNLCWCWVGPCMJP-SFHVURJKSA-N -1 0 340.423 3.921 20 0 EHADRM CCN(Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC001596354221 983814576 /nfs/dbraw/zinc/81/45/76/983814576.db2.gz DRLIAOQIGKWGIO-UHFFFAOYSA-N -1 0 343.408 3.982 20 0 EHADRM CCN(Cc1ccccc1C)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001596371385 983868954 /nfs/dbraw/zinc/86/89/54/983868954.db2.gz AWURRWYKNHAKJR-UHFFFAOYSA-N -1 0 326.396 3.676 20 0 EHADRM [O-]c1cc(Br)ccc1-c1nc(COc2ccccc2)no1 ZINC000109037564 1014986083 /nfs/dbraw/zinc/98/60/83/1014986083.db2.gz VKUBZLMCJVPPMK-UHFFFAOYSA-N -1 0 347.168 3.784 20 0 EHADRM CCNC(=O)Nc1ccc(C)c(NCc2ccsc2C(=O)[O-])c1 ZINC001596473489 984201581 /nfs/dbraw/zinc/20/15/81/984201581.db2.gz UJPVVQIWXUVHHQ-UHFFFAOYSA-N -1 0 333.413 3.508 20 0 EHADRM CCOC(=O)[C@@H]1CC[C@@H](Nc2ccc3c(C(=O)[O-])c[nH]c3c2)C[C@@H]1C ZINC001596569256 984458370 /nfs/dbraw/zinc/45/83/70/984458370.db2.gz AKTNJKLVAPOFAC-OUCADQQQSA-N -1 0 344.411 3.646 20 0 EHADRM C=COc1ccc(NC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC001588914426 984558380 /nfs/dbraw/zinc/55/83/80/984558380.db2.gz WDCJVDGDSYBWFC-DYVFJYSZSA-N -1 0 340.379 3.792 20 0 EHADRM C=COc1ccc(NC(=O)c2[nH]c(C)c(C(=O)[O-])c2CCC)cc1 ZINC001588914422 984558503 /nfs/dbraw/zinc/55/85/03/984558503.db2.gz WATSLDRPHHPHFR-UHFFFAOYSA-N -1 0 328.368 3.748 20 0 EHADRM C/C(=C(/F)C(=O)N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)C1CC1 ZINC001588933484 984612811 /nfs/dbraw/zinc/61/28/11/984612811.db2.gz UJZXKHXFECQFBZ-LLBKUYECSA-N -1 0 345.292 3.601 20 0 EHADRM C/C(=C\C(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1)c1cccc(F)c1 ZINC001588938471 984621997 /nfs/dbraw/zinc/62/19/97/984621997.db2.gz BUMKMOOQEKUJFW-ATEOEAFZSA-N -1 0 341.382 3.788 20 0 EHADRM C/C(=C/C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1cccs1 ZINC001588943775 984641103 /nfs/dbraw/zinc/64/11/03/984641103.db2.gz CKUFDSZADUSJPM-IFCOSYQSSA-N -1 0 327.405 3.581 20 0 EHADRM C[C@H](NC(=O)/C=C\c1cc(C(=O)[O-])co1)c1cc2ccccc2o1 ZINC001599893035 984719510 /nfs/dbraw/zinc/71/95/10/984719510.db2.gz VSHLCNVAGDCNRM-ZADCQDASSA-N -1 0 325.320 3.615 20 0 EHADRM C[C@H](NC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1)C1CCCCCC1 ZINC001599893191 984721237 /nfs/dbraw/zinc/72/12/37/984721237.db2.gz BGRODEFRXFTLPL-GZRFBZBPSA-N -1 0 329.440 3.720 20 0 EHADRM C[C@H](NC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1Cl ZINC001599893597 984725782 /nfs/dbraw/zinc/72/57/82/984725782.db2.gz PKBLQNIQTVTDDC-ATZCPNFKSA-N -1 0 345.226 3.559 20 0 EHADRM C[C@H](OC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC001599904769 984907349 /nfs/dbraw/zinc/90/73/49/984907349.db2.gz WQZQOROZMDZULJ-WCQGTBRESA-N -1 0 330.302 3.811 20 0 EHADRM C/C(=C\c1c(Cl)cccc1Cl)C(=O)N[C@H](CC1CC1)C(=O)[O-] ZINC001588995766 984928084 /nfs/dbraw/zinc/92/80/84/984928084.db2.gz RDJYCSWGNTXYIX-RCQQVGEISA-N -1 0 342.222 3.766 20 0 EHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001588999085 984936576 /nfs/dbraw/zinc/93/65/76/984936576.db2.gz RHGODGMGGPZQNR-RAXLEYEMSA-N -1 0 343.810 3.687 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)c2ccc3ccc(Cl)cc3n2)(C(=O)[O-])CC1 ZINC001599907503 984942124 /nfs/dbraw/zinc/94/21/24/984942124.db2.gz FONKGOAIRKDEBK-CKSWESSHSA-N -1 0 346.814 3.652 20 0 EHADRM C/C(=C/c1ccco1)C(=O)N1CCCCc2cc(C(=O)[O-])ccc21 ZINC001589010056 984974621 /nfs/dbraw/zinc/97/46/21/984974621.db2.gz AUYQMMGOPCDPJJ-QBFSEMIESA-N -1 0 325.364 3.751 20 0 EHADRM C/C(=C\c1ccco1)C(=O)N(Cc1ccccc1)C(C)(C)C(=O)[O-] ZINC001589010054 984974710 /nfs/dbraw/zinc/97/47/10/984974710.db2.gz AUORFRKHCPPLDL-WYMLVPIESA-N -1 0 327.380 3.575 20 0 EHADRM CCOC(=O)c1ccc(SC[C@H]2CCCC[C@H]2C(=O)[O-])c(F)c1 ZINC001596729697 984990578 /nfs/dbraw/zinc/99/05/78/984990578.db2.gz UCXJVTXDXWRRSJ-CHWSQXEVSA-N -1 0 340.416 3.986 20 0 EHADRM C/C(=C/c1ccco1)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001589011483 984991080 /nfs/dbraw/zinc/99/10/80/984991080.db2.gz ZZAITWZVRYEPGN-BFFYNSAMSA-N -1 0 327.380 3.651 20 0 EHADRM CC(=O)N(Cc1ccc(NCc2ccsc2C(=O)[O-])cc1)C1CC1 ZINC001589051838 985143038 /nfs/dbraw/zinc/14/30/38/985143038.db2.gz OYXNVLPIDKQOCR-UHFFFAOYSA-N -1 0 344.436 3.569 20 0 EHADRM CCO[C@H](C(=O)Oc1ccc(C(=O)[O-])c(Cl)c1)C1CCCC1 ZINC001596765710 985165140 /nfs/dbraw/zinc/16/51/40/985165140.db2.gz DRBSMVSJTHXKTL-AWEZNQCLSA-N -1 0 326.776 3.539 20 0 EHADRM CCO[C@@H](C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1Cl)C(C)C ZINC001596767171 985177436 /nfs/dbraw/zinc/17/74/36/985177436.db2.gz JJCKAFPJSITUOX-GFCCVEGCSA-N -1 0 334.199 3.691 20 0 EHADRM CCO[C@@H](C)c1nc(COc2cc(C(=O)[O-])cc(F)c2C)cs1 ZINC001596776842 985216852 /nfs/dbraw/zinc/21/68/52/985216852.db2.gz PVWOAXPYFRRDNQ-JTQLQIEISA-N -1 0 339.388 3.965 20 0 EHADRM CC(=O)N[C@@H](CSCc1ccc(C2CCCCC2)cc1)C(=O)[O-] ZINC001589160090 985498567 /nfs/dbraw/zinc/49/85/67/985498567.db2.gz SFSDQQUBLHZXKS-KRWDZBQOSA-N -1 0 335.469 3.557 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)[C@H]2CCCC[C@H]12 ZINC001594478580 985505542 /nfs/dbraw/zinc/50/55/42/985505542.db2.gz OVSOIEHQGFVXRW-UDZFHETQSA-N -1 0 338.354 3.705 20 0 EHADRM CC(=O)Nc1cc(Cl)c(NC(=O)CCC2(C)CC2)cc1C(=O)[O-] ZINC001589173737 985540330 /nfs/dbraw/zinc/54/03/30/985540330.db2.gz XAQIYMUGBZGHHN-UHFFFAOYSA-N -1 0 338.791 3.515 20 0 EHADRM CC(=O)Nc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2C)cc1Cl ZINC001589185873 985570494 /nfs/dbraw/zinc/57/04/94/985570494.db2.gz BUNUJFOWOQXIAS-UHFFFAOYSA-N -1 0 346.770 3.557 20 0 EHADRM Cc1[nH]c(C(=O)[C@@H](C)SCCc2ccccc2)c(C)c1C(=O)[O-] ZINC001599948738 985573063 /nfs/dbraw/zinc/57/30/63/985573063.db2.gz RQZINWUHVDSSSQ-CYBMUJFWSA-N -1 0 331.437 3.877 20 0 EHADRM C[C@@H]1[C@@H](C)CN1C(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC001594494049 985623343 /nfs/dbraw/zinc/62/33/43/985623343.db2.gz JKPJCKLQDTXTIK-NWDGAFQWSA-N -1 0 345.420 3.751 20 0 EHADRM Cc1[nH]c(C(=O)N[C@H](C)c2cccc(C3CC3)c2)c(C)c1C(=O)[O-] ZINC001599953193 985645180 /nfs/dbraw/zinc/64/51/80/985645180.db2.gz RSJKRAJXPKIORS-LLVKDONJSA-N -1 0 326.396 3.698 20 0 EHADRM Cc1[nH]c(C(=O)N[C@@H]2C[C@H]2c2cccc3ccccc32)c(C)c1C(=O)[O-] ZINC001599953825 985655000 /nfs/dbraw/zinc/65/50/00/985655000.db2.gz MHYBWTXCBYWMOZ-DLBZAZTESA-N -1 0 348.402 3.769 20 0 EHADRM C[C@@H]1CN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C[C@@H](C2CC2)O1 ZINC001594503456 985698881 /nfs/dbraw/zinc/69/88/81/985698881.db2.gz YRXQZZADJVPIPR-NKZPBKNFSA-N -1 0 344.238 3.618 20 0 EHADRM CCOCC(C)(C)NC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001596886341 985791953 /nfs/dbraw/zinc/79/19/53/985791953.db2.gz CLBXFMNIEULMAX-UHFFFAOYSA-N -1 0 336.413 3.536 20 0 EHADRM Cc1[nH]c(C[NH2+][C@H]2CC(C)(C)Oc3ccc(F)cc32)cc1C(=O)[O-] ZINC001599964248 985865232 /nfs/dbraw/zinc/86/52/32/985865232.db2.gz FQWFPDCJWGMEKU-HNNXBMFYSA-N -1 0 332.375 3.552 20 0 EHADRM CCOCCCC(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C1CC1 ZINC001596907364 985888811 /nfs/dbraw/zinc/88/88/11/985888811.db2.gz DKDPWQSXRYKTCP-UHFFFAOYSA-N -1 0 345.395 3.705 20 0 EHADRM Cc1[nH]c(SCc2ccc(C(=O)[O-])cn2)nc1-c1ccccc1 ZINC001599966146 985909844 /nfs/dbraw/zinc/90/98/44/985909844.db2.gz RVXVQVACQJAPCR-UHFFFAOYSA-N -1 0 325.393 3.771 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])[nH]c1NC(=O)c1ccc(Cl)c2occc21 ZINC001589260878 985913448 /nfs/dbraw/zinc/91/34/48/985913448.db2.gz MEGQCESIXSAKAW-UHFFFAOYSA-N -1 0 346.726 3.567 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])[nH]c1NC(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001589262020 985925929 /nfs/dbraw/zinc/92/59/29/985925929.db2.gz OVXHXEQOJVCZCG-JQWIXIFHSA-N -1 0 334.416 3.707 20 0 EHADRM CC(=O)c1cccc(NC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c1 ZINC001589311422 986095412 /nfs/dbraw/zinc/09/54/12/986095412.db2.gz OWQMHXDRYKLYNF-NSHDSACASA-N -1 0 326.352 3.721 20 0 EHADRM Cc1c(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)cnc2ccccc12 ZINC001599983888 986202162 /nfs/dbraw/zinc/20/21/62/986202162.db2.gz QQXHPEFWONQETG-LBPRGKRZSA-N -1 0 334.375 3.984 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)C[C@H](C)c1ccccc1 ZINC001597015873 986372798 /nfs/dbraw/zinc/37/27/98/986372798.db2.gz KCDHLODEAMESFB-ZDUSSCGKSA-N -1 0 327.380 3.916 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)C[C@@H]1CCc2ccccc21 ZINC001597016272 986377687 /nfs/dbraw/zinc/37/76/87/986377687.db2.gz ULZCCPRGDMALDY-AWEZNQCLSA-N -1 0 339.391 3.842 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001597019860 986396364 /nfs/dbraw/zinc/39/63/64/986396364.db2.gz AKNPPJNFVKPAFW-IMRBUKKESA-N -1 0 334.416 3.730 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1cc(Cl)ccc1F ZINC001597021873 986415283 /nfs/dbraw/zinc/41/52/83/986415283.db2.gz FNZHNEKYNMOYGY-UHFFFAOYSA-N -1 0 337.734 3.828 20 0 EHADRM CCOc1cc(N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)ccc1OC ZINC001597043055 986498197 /nfs/dbraw/zinc/49/81/97/986498197.db2.gz KNRKMBKIQQOZJK-MRXNPFEDSA-N -1 0 335.787 3.985 20 0 EHADRM CCOc1ccc(C=Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc1 ZINC001597081259 986623801 /nfs/dbraw/zinc/62/38/01/986623801.db2.gz FTCQQHYDRGZJIS-BJMVGYQFSA-N -1 0 336.347 3.603 20 0 EHADRM CCOc1ccc(C[C@@H](C)C(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC001597085084 986647585 /nfs/dbraw/zinc/64/75/85/986647585.db2.gz NHAHDBDTQFRGNU-CQSZACIVSA-N -1 0 341.407 3.909 20 0 EHADRM CCOc1ccc(C[C@@H](C)C(=O)Nc2ccsc2C(=O)[O-])cc1 ZINC001597085223 986649707 /nfs/dbraw/zinc/64/97/07/986649707.db2.gz RAODOXMCMCSSID-LLVKDONJSA-N -1 0 333.409 3.662 20 0 EHADRM C[C@H](C(=O)Nc1c(Cl)ccc(F)c1C(=O)[O-])c1cccs1 ZINC001589430090 986714456 /nfs/dbraw/zinc/71/44/56/986714456.db2.gz QMWHALBFPCJSED-ZETCQYMHSA-N -1 0 327.764 3.981 20 0 EHADRM CCOc1ccc(CNc2cc(COC)cc(C(=O)[O-])c2)c(C)c1 ZINC001597105281 986735495 /nfs/dbraw/zinc/73/54/95/986735495.db2.gz KSGFVUUBIFQWMW-UHFFFAOYSA-N -1 0 329.396 3.850 20 0 EHADRM CCOc1ccc(NC(=O)c2cc(C)ccc2F)c(C(=O)[O-])c1F ZINC001597122734 986819928 /nfs/dbraw/zinc/81/99/28/986819928.db2.gz KRTPQEGUTUJAMR-UHFFFAOYSA-N -1 0 335.306 3.622 20 0 EHADRM C[C@@H](C(=O)Nc1sc(C2CCCCC2)cc1C(=O)[O-])n1cccn1 ZINC001589448646 986828674 /nfs/dbraw/zinc/82/86/74/986828674.db2.gz RGYOAFPZGHAUMB-NSHDSACASA-N -1 0 347.440 3.890 20 0 EHADRM CCOc1ccc(O[C@@H](C)c2nnc(-c3cc(C(=O)[O-])co3)o2)cc1 ZINC001597129566 986839396 /nfs/dbraw/zinc/83/93/96/986839396.db2.gz DSHHRHGWAZCYNY-JTQLQIEISA-N -1 0 344.323 3.567 20 0 EHADRM CCOc1cccc(CCC(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC001597153831 986940546 /nfs/dbraw/zinc/94/05/46/986940546.db2.gz SQUXZTFEGCLLQD-GFCCVEGCSA-N -1 0 332.352 3.614 20 0 EHADRM C[C@H]1c2cc(Cl)cc(Cl)c2CCN1c1nccc(C(=O)[O-])n1 ZINC001594666673 986966790 /nfs/dbraw/zinc/96/67/90/986966790.db2.gz YJMVAJGQUVZCKQ-QMMMGPOBSA-N -1 0 338.194 3.605 20 0 EHADRM CCOc1cccc([C@@H]2C[C@H]2Nc2nc(Cl)c(C(=O)[O-])s2)c1 ZINC001597163637 986974330 /nfs/dbraw/zinc/97/43/30/986974330.db2.gz KJPCBBBMZPVVBN-WDEREUQCSA-N -1 0 338.816 3.861 20 0 EHADRM CCOc1ccccc1[C@@H](CC(C)C)NC(=O)c1ccc(C(=O)[O-])o1 ZINC001597173122 987013123 /nfs/dbraw/zinc/01/31/23/987013123.db2.gz NNZXHIYJUQKKPO-CQSZACIVSA-N -1 0 345.395 3.894 20 0 EHADRM C/C=C/C[C@H]1CCCN(C(=O)Nc2cc(COC)cc(C(=O)[O-])c2)C1 ZINC001594685758 987058059 /nfs/dbraw/zinc/05/80/59/987058059.db2.gz GCZRVMYEMIISAG-XGACYXMMSA-N -1 0 346.427 3.741 20 0 EHADRM C/C=C/C[C@H]1CCCN(c2ncc(C(=O)[O-])cc2C(F)(F)F)C1 ZINC001594686409 987065456 /nfs/dbraw/zinc/06/54/56/987065456.db2.gz VJDRSLHBLCNKGC-VUDBWIFFSA-N -1 0 328.334 3.981 20 0 EHADRM C/C=C\C[C@@H]1CCCN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C1 ZINC001594686411 987065805 /nfs/dbraw/zinc/06/58/05/987065805.db2.gz VOUHGRLSYJVDJQ-OTDNITJGSA-N -1 0 338.354 3.873 20 0 EHADRM CC/C(=C/C(=O)NCc1ccc(C(=O)[O-])s1)c1ccc(C)cc1 ZINC001594691164 987088238 /nfs/dbraw/zinc/08/82/38/987088238.db2.gz POPZQQBZDYDSIW-RAXLEYEMSA-N -1 0 329.421 3.865 20 0 EHADRM CCOc1ncccc1C(=O)Nc1c(C(=O)[O-])ccc2ccccc21 ZINC001597200325 987098699 /nfs/dbraw/zinc/09/86/99/987098699.db2.gz ACHAIBCODLNGCG-UHFFFAOYSA-N -1 0 336.347 3.584 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N(C)C2CC(OC(C)(C)C)C2)cc1 ZINC001589504825 987116330 /nfs/dbraw/zinc/11/63/30/987116330.db2.gz NNBNIGIDBQZRJM-JQRITLKVSA-N -1 0 348.443 3.685 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)Cc2ccc(F)c(Cl)c2)cc1 ZINC001589505284 987119508 /nfs/dbraw/zinc/11/95/08/987119508.db2.gz STRQEXTVZCSYJX-SNVBAGLBSA-N -1 0 335.762 3.848 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2C[C@H](C3CC3)[C@@H]2C2CC2)cc1 ZINC001589508391 987128308 /nfs/dbraw/zinc/12/83/08/987128308.db2.gz JCSOETZFYBYUNY-JECHBYEQSA-N -1 0 328.412 3.527 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CC[C@H]2c2ccc(F)cc2)cc1 ZINC001589510536 987136491 /nfs/dbraw/zinc/13/64/91/987136491.db2.gz VQCCUXKJZHZEIR-PXAZEXFGSA-N -1 0 342.370 3.993 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)NC2CCC(C(F)F)CC2)cc1 ZINC001589511760 987142875 /nfs/dbraw/zinc/14/28/75/987142875.db2.gz CTADPMZQRUDDLL-JKDOVBDQSA-N -1 0 340.370 3.820 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N[C@H]2c3ccccc3O[C@@H]2C)cc1 ZINC001589512822 987152748 /nfs/dbraw/zinc/15/27/48/987152748.db2.gz LYJHRVSAJHKFTI-XWCIJXRUSA-N -1 0 340.379 3.518 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NCC[C@H]2CCC(C)(C)CO2)cc1 ZINC001589513731 987160578 /nfs/dbraw/zinc/16/05/78/987160578.db2.gz XHQSFMDMLIEMJR-CZUORRHYSA-N -1 0 348.443 3.592 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cn(C)c3ccc(F)cc23)cc1 ZINC001589522091 987173833 /nfs/dbraw/zinc/17/38/33/987173833.db2.gz ZZZABTXVNYHIKW-LLVKDONJSA-N -1 0 340.354 3.758 20 0 EHADRM CCC(=O)c1ccc(C(=O)NC[C@H](C(=O)[O-])C2CCCCCC2)cc1 ZINC001594718119 987198264 /nfs/dbraw/zinc/19/82/64/987198264.db2.gz QPWIOOKAJVDKOT-KRWDZBQOSA-N -1 0 345.439 3.680 20 0 EHADRM CCC(=O)c1ccc(OC(=O)CCc2ccccc2C(=O)[O-])c(F)c1 ZINC001594721242 987204048 /nfs/dbraw/zinc/20/40/48/987204048.db2.gz YMNZOEUFMAGBBB-UHFFFAOYSA-N -1 0 344.338 3.655 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cccc(OC(F)F)c2)c1 ZINC001589532903 987220043 /nfs/dbraw/zinc/22/00/43/987220043.db2.gz VLWPPZUHCSQFQK-SNVBAGLBSA-N -1 0 335.306 3.728 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)CNc2ccccc2Cl)c1 ZINC001589533180 987223427 /nfs/dbraw/zinc/22/34/27/987223427.db2.gz IIEBNSFOXIZSCB-NSHDSACASA-N -1 0 332.787 3.579 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)N[C@](C)(C2CC2)C(F)(F)F)c1 ZINC001589534157 987229411 /nfs/dbraw/zinc/22/94/11/987229411.db2.gz VBSVVZVNYGXZLD-RFAUZJTJSA-N -1 0 344.333 3.727 20 0 EHADRM CC[C@H](C(=O)N[C@](C)(CC(=O)[O-])c1ccncc1)C1CCC(C)CC1 ZINC001594728671 987236480 /nfs/dbraw/zinc/23/64/80/987236480.db2.gz IMPFMNOTAVRZTM-GXKRMFDSSA-N -1 0 346.471 3.740 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NCc2noc(C3CCCCC3)n2)c1 ZINC001589540301 987242497 /nfs/dbraw/zinc/24/24/97/987242497.db2.gz ULMNALOXRFTEGD-GFCCVEGCSA-N -1 0 329.400 3.918 20 0 EHADRM CC[C@H](C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21)C1CCC(C)CC1 ZINC001594729650 987244571 /nfs/dbraw/zinc/24/45/71/987244571.db2.gz JRWOEHQSDPNSDY-ZUBZBLCWSA-N -1 0 345.439 3.718 20 0 EHADRM CC[C@H](C(=O)N(CCC(=O)[O-])c1cccc(F)c1)c1ccccc1 ZINC001594730441 987250011 /nfs/dbraw/zinc/25/00/11/987250011.db2.gz RZPXXTODTAREPY-KRWDZBQOSA-N -1 0 329.371 3.827 20 0 EHADRM C[C@H](C(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21)c1cccnc1 ZINC001589543631 987260966 /nfs/dbraw/zinc/26/09/66/987260966.db2.gz RAQLBTSQCSGGEG-YVEFUNNKSA-N -1 0 325.364 3.504 20 0 EHADRM CCS[C@@H]1CCCC[C@@H]1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001597258675 987271189 /nfs/dbraw/zinc/27/11/89/987271189.db2.gz RJZSFUWLOMQSLF-UONOGXRCSA-N -1 0 327.490 3.592 20 0 EHADRM CCSCc1cccc(NC(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)c1 ZINC001597265086 987293725 /nfs/dbraw/zinc/29/37/25/987293725.db2.gz HBMMGIGOMNVJKB-SJCJKPOMSA-N -1 0 336.457 3.514 20 0 EHADRM CCSCc1cccc(NC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)c1 ZINC001597265291 987295720 /nfs/dbraw/zinc/29/57/20/987295720.db2.gz NPAXHRLMUIKYGW-KSSFIOAISA-N -1 0 348.468 3.658 20 0 EHADRM CCSc1cc(CNC(=O)Nc2cc(C)cc(C(=O)[O-])c2)ccn1 ZINC001597268154 987307865 /nfs/dbraw/zinc/30/78/65/987307865.db2.gz RXMGMZSDJBEHRC-UHFFFAOYSA-N -1 0 345.424 3.522 20 0 EHADRM CCSc1ccc(CC(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001597272536 987322587 /nfs/dbraw/zinc/32/25/87/987322587.db2.gz JYUDAHSUZMCWDQ-QGZVFWFLSA-N -1 0 348.395 3.849 20 0 EHADRM CCSc1ccccc1C(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001597279241 987341119 /nfs/dbraw/zinc/34/11/19/987341119.db2.gz HPXWYDHJJHUTGN-UHFFFAOYSA-N -1 0 341.432 3.695 20 0 EHADRM CCSc1ccccc1CC(=O)NC1(C(=O)[O-])CCC(CC)CC1 ZINC001597280046 987348696 /nfs/dbraw/zinc/34/86/96/987348696.db2.gz VXHSZUYOJXVOII-UHFFFAOYSA-N -1 0 349.496 3.881 20 0 EHADRM CCSc1cccnc1C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC001597280234 987351613 /nfs/dbraw/zinc/35/16/13/987351613.db2.gz VTMBOFSPHJMMSB-LLVKDONJSA-N -1 0 330.409 3.634 20 0 EHADRM CCSc1cccnc1C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001597280316 987352559 /nfs/dbraw/zinc/35/25/59/987352559.db2.gz ZOWFDMAFRXWSDN-UHFFFAOYSA-N -1 0 341.392 3.625 20 0 EHADRM CC(C)(C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)C1CCOCC1 ZINC001589576055 987353795 /nfs/dbraw/zinc/35/37/95/987353795.db2.gz GWAWWFCEFPVBGB-UHFFFAOYSA-N -1 0 343.782 3.569 20 0 EHADRM CC[C@@H](NC(=O)NCc1cccc(C(=O)[O-])c1)c1ccc(C)c(F)c1 ZINC001597286054 987364325 /nfs/dbraw/zinc/36/43/25/987364325.db2.gz IWSQLZQLZMXAAG-QGZVFWFLSA-N -1 0 344.386 3.783 20 0 EHADRM CC[C@@H](NC(=O)Nc1cnc(C)c(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001597288288 987369009 /nfs/dbraw/zinc/36/90/09/987369009.db2.gz AYAWPRZFKMUIEQ-OAHLLOKOSA-N -1 0 331.347 3.500 20 0 EHADRM C[C@H]1CC[C@H](NC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])CC1 ZINC001589598274 987418774 /nfs/dbraw/zinc/41/87/74/987418774.db2.gz IEPQJMFPSPGEKO-FVQBIDKESA-N -1 0 332.444 3.716 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cc(C(F)F)ccc2F)C1 ZINC001589611292 987462196 /nfs/dbraw/zinc/46/21/96/987462196.db2.gz FDQQTMHPVJUWRK-NSHDSACASA-N -1 0 343.345 3.726 20 0 EHADRM CCc1[nH]c(C(=O)N(c2cccc(F)c2)C(C)C)c(C)c1C(=O)[O-] ZINC001597357958 987511518 /nfs/dbraw/zinc/51/15/18/987511518.db2.gz QRBJEXILJOHOLK-UHFFFAOYSA-N -1 0 332.375 3.778 20 0 EHADRM CCc1[nH]c(C(=O)N2CCC[C@@H]2c2cccc(F)c2)c(C)c1C(=O)[O-] ZINC001597361305 987519428 /nfs/dbraw/zinc/51/94/28/987519428.db2.gz OTAZDOLMWZGMHM-OAHLLOKOSA-N -1 0 344.386 3.700 20 0 EHADRM CCc1[nH]c(C(=O)N2CCCC[C@@H]2c2ccccc2)c(C)c1C(=O)[O-] ZINC001597361639 987521846 /nfs/dbraw/zinc/52/18/46/987521846.db2.gz TZNDSIOFPSWWFO-MRXNPFEDSA-N -1 0 340.423 3.951 20 0 EHADRM CCc1[nH]c(C(=O)N2c3ccccc3CC[C@@H]2CC)c(C)c1C(=O)[O-] ZINC001597362369 987527368 /nfs/dbraw/zinc/52/73/68/987527368.db2.gz XWWJHANHMHTTBQ-AWEZNQCLSA-N -1 0 340.423 3.955 20 0 EHADRM CCc1[nH]c(C(=O)NCC(C2CCC2)C2CCC2)c(C)c1C(=O)[O-] ZINC001597366934 987539489 /nfs/dbraw/zinc/53/94/89/987539489.db2.gz KSWNFMUHISDKKT-UHFFFAOYSA-N -1 0 332.444 3.530 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N2Cc3cccc(F)c3C2)cc1 ZINC001589636355 987553307 /nfs/dbraw/zinc/55/33/07/987553307.db2.gz ODSQWNISOXOSHJ-UHFFFAOYSA-N -1 0 342.370 3.736 20 0 EHADRM CCc1[nH]c(C(=O)Nc2ccc(N(C)C)c(Cl)c2)c(C)c1C(=O)[O-] ZINC001597372567 987555777 /nfs/dbraw/zinc/55/57/77/987555777.db2.gz CJJGWYRMDAZPQE-UHFFFAOYSA-N -1 0 349.818 3.555 20 0 EHADRM CC(C)(C(=O)[O-])c1cccc(OC(=O)c2cnc(C3CC3)s2)c1 ZINC001589650205 987597235 /nfs/dbraw/zinc/59/72/35/987597235.db2.gz HJYJNRCBLVFNKG-UHFFFAOYSA-N -1 0 331.393 3.602 20 0 EHADRM CCc1c(NC(=O)c2ccsc2C(=O)[O-])cnn1CCC(C)C ZINC001597419813 987726800 /nfs/dbraw/zinc/72/68/00/987726800.db2.gz KMBMNEVPBGOIEP-UHFFFAOYSA-N -1 0 335.429 3.504 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)NCC2(C(=O)[O-])CCCC2)cc1 ZINC001589696614 987775833 /nfs/dbraw/zinc/77/58/33/987775833.db2.gz IFESFYJIYQPCLN-UHFFFAOYSA-N -1 0 346.427 3.682 20 0 EHADRM CC(C)(C)C(C)(C)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC001589700178 987790011 /nfs/dbraw/zinc/79/00/11/987790011.db2.gz VOCXDDZWFRAONJ-UHFFFAOYSA-N -1 0 327.808 3.814 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)N(C)[C@@H](C)CCSC)s1 ZINC001597442861 987807526 /nfs/dbraw/zinc/80/75/26/987807526.db2.gz GRLOCFRTURCJPW-VIFPVBQESA-N -1 0 330.475 3.614 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)c1ccnc2cc(Cl)ccc21 ZINC001589704390 987811110 /nfs/dbraw/zinc/81/11/10/987811110.db2.gz KIKAZWANLPZSCR-CQSZACIVSA-N -1 0 334.803 3.507 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2ccoc2C(F)(F)F)s1 ZINC001597445884 987820364 /nfs/dbraw/zinc/82/03/64/987820364.db2.gz SBRWHIYPMHNBKV-UHFFFAOYSA-N -1 0 333.287 3.873 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)Cc1cccc(OC)c1Cl ZINC001597451443 987841416 /nfs/dbraw/zinc/84/14/16/987841416.db2.gz AEZFXIZAHFLZRR-UHFFFAOYSA-N -1 0 347.798 3.790 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N(C)[C@H]1C[C@](C)(OC)C1(C)C ZINC001597451489 987842757 /nfs/dbraw/zinc/84/27/57/987842757.db2.gz CCRUTZUDVVQRNF-KXBFYZLASA-N -1 0 348.443 3.615 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N(Cc1ccccn1)C(C)C ZINC001597453093 987853352 /nfs/dbraw/zinc/85/33/52/987853352.db2.gz LECPYMJSXXFCQX-UHFFFAOYSA-N -1 0 341.411 3.785 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCC1(c2ccccc2)CC1 ZINC001597457577 987875658 /nfs/dbraw/zinc/87/56/58/987875658.db2.gz LOUOKXIOMRMFIV-UHFFFAOYSA-N -1 0 338.407 3.801 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)Nc1ccccc1OCCF ZINC001597464379 987897087 /nfs/dbraw/zinc/89/70/87/987897087.db2.gz IWUTYYPOEVGZME-UHFFFAOYSA-N -1 0 346.358 3.940 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1coc(Br)c1 ZINC001597465000 987901094 /nfs/dbraw/zinc/90/10/94/987901094.db2.gz CZIIFVBZMBUJSY-UHFFFAOYSA-N -1 0 338.157 3.555 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1ncoc1-c1ccccc1 ZINC001597466305 987912545 /nfs/dbraw/zinc/91/25/45/987912545.db2.gz RIDFHZDVJPDBTC-UHFFFAOYSA-N -1 0 336.347 3.855 20 0 EHADRM CC(C)(C)C1CC(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC001589726953 987917175 /nfs/dbraw/zinc/91/71/75/987917175.db2.gz UGICQOHFBVFKFI-UHFFFAOYSA-N -1 0 341.354 3.997 20 0 EHADRM CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001589727944 987926573 /nfs/dbraw/zinc/92/65/73/987926573.db2.gz COTMJXFQJOKNIQ-ZWNOBZJWSA-N -1 0 340.370 3.999 20 0 EHADRM CC(C)(C)[C@H]1CN(C(=O)NC2CC(CC(=O)[O-])C2)c2ccccc21 ZINC001589734235 987978138 /nfs/dbraw/zinc/97/81/38/987978138.db2.gz FOJJAWNPYNHFDY-PIMMBPRGSA-N -1 0 330.428 3.599 20 0 EHADRM CS[C@@H]1CCCCN(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)C1 ZINC001599789736 987987304 /nfs/dbraw/zinc/98/73/04/987987304.db2.gz XBJDWCDAZLZHCV-IUODEOHRSA-N -1 0 336.457 3.624 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)NC[C@H](CC(C)C)C(=O)[O-])o2)cc1 ZINC001597492032 988022979 /nfs/dbraw/zinc/02/29/79/988022979.db2.gz IWLUXZACGLQIMM-INIZCTEOSA-N -1 0 343.423 3.986 20 0 EHADRM CCc1ccc(-c2nnc(C34CCC(C(=O)[O-])(CC3)CC4)o2)cc1 ZINC001597492359 988027791 /nfs/dbraw/zinc/02/77/91/988027791.db2.gz NMKWYEQGROITFC-UHFFFAOYSA-N -1 0 326.396 3.976 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N([C@@H](C)C(=O)[O-])C3CCC3)o2)cc1 ZINC001597492896 988033741 /nfs/dbraw/zinc/03/37/41/988033741.db2.gz XNEQHBINCORDHL-ZDUSSCGKSA-N -1 0 341.407 3.977 20 0 EHADRM CCc1ccc(C(=O)Oc2ccc(Br)cc2C(=O)[O-])cc1 ZINC001597508766 988088580 /nfs/dbraw/zinc/08/85/80/988088580.db2.gz UDRDKOKIUBWLJP-UHFFFAOYSA-N -1 0 349.180 3.929 20 0 EHADRM CCc1ccc(C(C)(C)NC(=O)NCc2ccc(C(=O)[O-])s2)cc1 ZINC001597508720 988088682 /nfs/dbraw/zinc/08/86/82/988088682.db2.gz SBMXSLSUGUJDHO-UHFFFAOYSA-N -1 0 346.452 3.743 20 0 EHADRM CSCC[C@H](C)N(C)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001599795498 988091109 /nfs/dbraw/zinc/09/11/09/988091109.db2.gz QERBGVXXJPRBMX-STQMWFEESA-N -1 0 338.473 3.555 20 0 EHADRM CC(C)(C)C[C@H]1CCCN1C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001589764388 988100906 /nfs/dbraw/zinc/10/09/06/988100906.db2.gz JCPMRCPTFZOIMP-LLVKDONJSA-N -1 0 339.823 3.866 20 0 EHADRM CCc1ccc([C@H](C)NC(=O)CNc2ccc(C(=O)[O-])cc2C)cc1 ZINC001597513102 988105524 /nfs/dbraw/zinc/10/55/24/988105524.db2.gz JRSYIUCEKAGVDQ-AWEZNQCLSA-N -1 0 340.423 3.545 20 0 EHADRM CC(C)(C)CC[C@H](NCc1ccc(C(=O)[O-])o1)C(=O)OC(C)(C)C ZINC001589766478 988112924 /nfs/dbraw/zinc/11/29/24/988112924.db2.gz GFVRYKQEUOFEFJ-ZDUSSCGKSA-N -1 0 339.432 3.604 20 0 EHADRM CC(C)(C)CCCCNC(=O)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001589771915 988126323 /nfs/dbraw/zinc/12/63/23/988126323.db2.gz OFYGSMKQHKMHEH-UHFFFAOYSA-N -1 0 348.443 3.505 20 0 EHADRM CC(C)(C)CCCSc1nc2ccccc2c(=O)n1CCC(=O)[O-] ZINC001589774565 988135113 /nfs/dbraw/zinc/13/51/13/988135113.db2.gz UHJSZMHIUHVSOL-UHFFFAOYSA-N -1 0 348.468 3.790 20 0 EHADRM CCc1ccc([C@H]2CCN(C(=O)c3[nH]c(C)c(C(=O)[O-])c3C)C2)cc1 ZINC001597517804 988135820 /nfs/dbraw/zinc/13/58/20/988135820.db2.gz PRZWUFIULYNALI-INIZCTEOSA-N -1 0 340.423 3.522 20 0 EHADRM CCc1ccc([C@@H]2CCN(Cn3nc(C(=O)[O-])c(Cl)c3C)C2)cc1 ZINC001597518352 988136566 /nfs/dbraw/zinc/13/65/66/988136566.db2.gz SVHMVIIXAPFVGV-OAHLLOKOSA-N -1 0 347.846 3.553 20 0 EHADRM CCc1ccc(F)cc1C(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC001597531122 988190208 /nfs/dbraw/zinc/19/02/08/988190208.db2.gz XFGKXOBGEYCZBM-UHFFFAOYSA-N -1 0 329.371 3.505 20 0 EHADRM CSCCc1ccc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001599802029 988192445 /nfs/dbraw/zinc/19/24/45/988192445.db2.gz QRWQTJJXFVYTDP-UHFFFAOYSA-N -1 0 329.421 3.851 20 0 EHADRM CSCc1ccc(C(=O)N2c3cccc(C)c3C[C@@H]2C(=O)[O-])cc1 ZINC001599802244 988195896 /nfs/dbraw/zinc/19/58/96/988195896.db2.gz HQUGFSRRHXYCNN-QGZVFWFLSA-N -1 0 341.432 3.514 20 0 EHADRM CCc1ccc(NC(=O)/C=C(/C)c2ccc(OC)cc2)c(C(=O)[O-])c1 ZINC001597542753 988233889 /nfs/dbraw/zinc/23/38/89/988233889.db2.gz JNANBVILANZNPF-QBFSEMIESA-N -1 0 339.391 3.998 20 0 EHADRM CCc1ccc(NC(=O)NCc2ccc(C(=O)[O-])c(OC)c2)cc1C ZINC001597546350 988249895 /nfs/dbraw/zinc/24/98/95/988249895.db2.gz CTGTXTLOQOYUAD-UHFFFAOYSA-N -1 0 342.395 3.586 20 0 EHADRM CSc1c(F)cccc1C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC001599806023 988257229 /nfs/dbraw/zinc/25/72/29/988257229.db2.gz IJMWZBWIVDIGCK-CYBMUJFWSA-N -1 0 338.331 3.669 20 0 EHADRM CC(C)(C)N1CC[C@@H](SCc2cccc(C(=O)[O-])c2Cl)C1=O ZINC001589816081 988257379 /nfs/dbraw/zinc/25/73/79/988257379.db2.gz UXJRFHIAPCOJMT-GFCCVEGCSA-N -1 0 341.860 3.671 20 0 EHADRM CSc1c(F)cccc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001599806415 988263494 /nfs/dbraw/zinc/26/34/94/988263494.db2.gz VBOMXGJFZOOCCD-HIFRSBDPSA-N -1 0 345.395 3.591 20 0 EHADRM CCc1ccc(NC(=O)N2CCC[C@H](OC3CCC3)C2)c(C(=O)[O-])c1 ZINC001597548453 988264721 /nfs/dbraw/zinc/26/47/21/988264721.db2.gz VMMXMWBEFXOVCT-HNNXBMFYSA-N -1 0 346.427 3.513 20 0 EHADRM CSc1cc(F)ccc1NC(=O)NC1(CC(=O)[O-])CCCCC1 ZINC001599809243 988305520 /nfs/dbraw/zinc/30/55/20/988305520.db2.gz YHSXRUHUYJONDG-UHFFFAOYSA-N -1 0 340.420 3.847 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001597572776 988355167 /nfs/dbraw/zinc/35/51/67/988355167.db2.gz NAFFZDJWUWZRTK-LSDHHAIUSA-N -1 0 345.345 3.968 20 0 EHADRM CC(C)(C)OC(=O)[C@H](Sc1nc2ccc(C(=O)[O-])cc2o1)C1CC1 ZINC001589844327 988355258 /nfs/dbraw/zinc/35/52/58/988355258.db2.gz NSPCKWMXQJKCIM-CYBMUJFWSA-N -1 0 349.408 3.738 20 0 EHADRM CCc1cccc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c1O ZINC001597577113 988371817 /nfs/dbraw/zinc/37/18/17/988371817.db2.gz ZYICSVKRPCIWFP-KRWDZBQOSA-N -1 0 341.407 3.537 20 0 EHADRM CSc1ccc(/C=C\C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)s1 ZINC001599813631 988382202 /nfs/dbraw/zinc/38/22/02/988382202.db2.gz YQAFUDQJTOCJOD-WOLRVDTOSA-N -1 0 345.445 3.698 20 0 EHADRM CSc1ccc(NC(=O)[C@@H](C)Sc2ncccc2C(=O)[O-])cc1 ZINC001599815462 988415406 /nfs/dbraw/zinc/41/54/06/988415406.db2.gz AYMZDIUOFHTTHW-SNVBAGLBSA-N -1 0 348.449 3.621 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cccc(-n2ccc(C)n2)c1 ZINC001597591744 988415565 /nfs/dbraw/zinc/41/55/65/988415565.db2.gz HNMBPKJMNBOSEM-UHFFFAOYSA-N -1 0 349.390 3.694 20 0 EHADRM CSc1ccc(NC(=O)CSCc2cccc(C(=O)[O-])c2)cc1 ZINC001599815531 988417051 /nfs/dbraw/zinc/41/70/51/988417051.db2.gz MMAYLCIEMUZCMM-UHFFFAOYSA-N -1 0 347.461 3.979 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1ccc(C(C)=O)cc1F ZINC001597591853 988417556 /nfs/dbraw/zinc/41/75/56/988417556.db2.gz KABZNOPGCJDGRW-UHFFFAOYSA-N -1 0 329.327 3.541 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1ccnc(-c2ccco2)c1 ZINC001597593069 988425235 /nfs/dbraw/zinc/42/52/35/988425235.db2.gz LTZIWEUCKFFOOD-UHFFFAOYSA-N -1 0 336.347 3.855 20 0 EHADRM CSc1ccc(NC(=O)N(C)[C@H](C)c2ccccn2)cc1C(=O)[O-] ZINC001599816663 988437969 /nfs/dbraw/zinc/43/79/69/988437969.db2.gz KQCMNYQHGPEWQE-LLVKDONJSA-N -1 0 345.424 3.727 20 0 EHADRM CSc1ccc(NC(=O)c2cccnc2NC(C)C)cc1C(=O)[O-] ZINC001599818140 988464182 /nfs/dbraw/zinc/46/41/82/988464182.db2.gz ZUKCWKXPMHMHQJ-UHFFFAOYSA-N -1 0 345.424 3.574 20 0 EHADRM CCc1ccccc1CC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001597609333 988494090 /nfs/dbraw/zinc/49/40/90/988494090.db2.gz MDUKXMZSHATDHD-OAQYLSRUSA-N -1 0 347.414 3.887 20 0 EHADRM CSc1ccc(O)c(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c1 ZINC001599819968 988494672 /nfs/dbraw/zinc/49/46/72/988494672.db2.gz LAOCHUOJCQRXOK-UONOGXRCSA-N -1 0 343.404 3.555 20 0 EHADRM CCc1ccccc1NC(=S)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC001597614561 988519002 /nfs/dbraw/zinc/51/90/02/988519002.db2.gz BVVPQZCNWJPPNB-UHFFFAOYSA-N -1 0 344.436 3.903 20 0 EHADRM CCc1ccccc1OCC(=O)O[C@H](C(=O)[O-])c1ccccc1Cl ZINC001597616917 988541550 /nfs/dbraw/zinc/54/15/50/988541550.db2.gz SWRIEIQCWNBFSH-KRWDZBQOSA-N -1 0 348.782 3.650 20 0 EHADRM CSc1ccccc1N(C)C(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001599824091 988566909 /nfs/dbraw/zinc/56/69/09/988566909.db2.gz QJXLXFTXYCRCAT-KUHUBIRLSA-N -1 0 341.432 3.630 20 0 EHADRM CSc1cccnc1C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001599825568 988592842 /nfs/dbraw/zinc/59/28/42/988592842.db2.gz GKPSGRDCTSDINY-UHFFFAOYSA-N -1 0 348.449 3.623 20 0 EHADRM CSc1ccsc1C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-] ZINC001599826444 988605656 /nfs/dbraw/zinc/60/56/56/988605656.db2.gz MOXVKKOEECCWLA-NSHDSACASA-N -1 0 335.450 3.586 20 0 EHADRM CCc1nc(C(C)C)ccc1-c1nc(-c2cc(C(=O)[O-])co2)no1 ZINC001597651869 988694233 /nfs/dbraw/zinc/69/42/33/988694233.db2.gz FDZBFSOPZUOKAY-UHFFFAOYSA-N -1 0 327.340 3.776 20 0 EHADRM CCc1nc(C(C)C)ccc1COC(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001597652896 988701593 /nfs/dbraw/zinc/70/15/93/988701593.db2.gz VOEYDRVLFOSARE-UHFFFAOYSA-N -1 0 331.368 3.724 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCC[C@@H]1CC1CCCC1 ZINC000655363804 1015418518 /nfs/dbraw/zinc/41/85/18/1015418518.db2.gz SJDMSSKQDNJMAF-LLVKDONJSA-N -1 0 327.346 3.994 20 0 EHADRM C[C@@H](NC(=O)c1ccc(Sc2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC001599840767 988823714 /nfs/dbraw/zinc/82/37/14/988823714.db2.gz WHTKGDFXTHQQFS-SNVBAGLBSA-N -1 0 335.812 3.694 20 0 EHADRM C[C@@H](Nc1ncc(C(=O)[O-])cn1)c1ccccc1OCc1ccccc1 ZINC001599842044 988856693 /nfs/dbraw/zinc/85/66/93/988856693.db2.gz BOCQUKMPPABMKR-CQSZACIVSA-N -1 0 349.390 3.927 20 0 EHADRM C[C@@H](Nc1cnc(C(=O)[O-])cn1)c1ccccc1OCc1ccccc1 ZINC001599842631 988871660 /nfs/dbraw/zinc/87/16/60/988871660.db2.gz RLCZKKIPZDVRRQ-CQSZACIVSA-N -1 0 349.390 3.927 20 0 EHADRM CCc1nccc(C)c1NC(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001597703866 988945494 /nfs/dbraw/zinc/94/54/94/988945494.db2.gz ZSYIQXHERHMMQL-MRXNPFEDSA-N -1 0 341.411 3.598 20 0 EHADRM CCc1nnc(S[C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)[nH]1 ZINC001597736343 989085946 /nfs/dbraw/zinc/08/59/46/989085946.db2.gz SOLLBUNFYAACKX-SNVBAGLBSA-N -1 0 332.212 3.592 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(-c3ccco3)cc2F)C[C@H]1CC(=O)[O-] ZINC001599859541 989146017 /nfs/dbraw/zinc/14/60/17/989146017.db2.gz NPZOAOXDIOJMRI-DGCLKSJQSA-N -1 0 346.358 3.660 20 0 EHADRM CCc1nsc(NC[C@H](Cc2cccc3ccccc32)C(=O)[O-])n1 ZINC001597761107 989185029 /nfs/dbraw/zinc/18/50/29/989185029.db2.gz VXYAUFCFRIODIL-AWEZNQCLSA-N -1 0 341.436 3.609 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)C[C@H]1C(=O)[O-] ZINC001599862674 989194556 /nfs/dbraw/zinc/19/45/56/989194556.db2.gz PLPFRPMZFUPXGY-KWCYVHTRSA-N -1 0 349.496 3.692 20 0 EHADRM CCn1c(S[C@@H](C)C(=O)[O-])nnc1-c1ccc(C(C)(C)C)cc1 ZINC001597862167 989641961 /nfs/dbraw/zinc/64/19/61/989641961.db2.gz OQCQGIGQRTVWHT-NSHDSACASA-N -1 0 333.457 3.828 20 0 EHADRM CC[C@H](NC(=O)CC1(C(=O)[O-])CCCCCC1)c1c(C)noc1C ZINC000339680525 1015497819 /nfs/dbraw/zinc/49/78/19/1015497819.db2.gz PVWCPXMOZVJEJL-AWEZNQCLSA-N -1 0 336.432 3.674 20 0 EHADRM CCn1cc(CC(=O)OCc2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC001597884094 989717587 /nfs/dbraw/zinc/71/75/87/989717587.db2.gz AHJJDHWSDCUTDW-UHFFFAOYSA-N -1 0 337.375 3.645 20 0 EHADRM CC(C)(C)OC(=O)c1ccc(COc2ccc(C(=O)[O-])cc2)cc1 ZINC001590364163 989826784 /nfs/dbraw/zinc/82/67/84/989826784.db2.gz HRYIEHYDKYVEER-UHFFFAOYSA-N -1 0 328.364 3.919 20 0 EHADRM CC(C)(C)OC(=O)c1ccsc1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001590369515 989856168 /nfs/dbraw/zinc/85/61/68/989856168.db2.gz NVWZMTRJILNDQN-UHFFFAOYSA-N -1 0 347.392 3.654 20 0 EHADRM CC(C)(C)O[C@@H]1C[C@@H](NC(=O)Nc2cccc(C(=O)[O-])c2)C12CCC2 ZINC001590378557 989882327 /nfs/dbraw/zinc/88/23/27/989882327.db2.gz HQMYBBFSVAKKHA-HUUCEWRRSA-N -1 0 346.427 3.633 20 0 EHADRM CC(C)(C)O[C@@H]1C[C@H](Nc2ccc3cnn(CC(=O)[O-])c3c2)C1(C)C ZINC001590379591 989890730 /nfs/dbraw/zinc/89/07/30/989890730.db2.gz VQVDOUVISYUFKR-JKSUJKDBSA-N -1 0 345.443 3.515 20 0 EHADRM CC(C)(C)OCCCNC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001590387897 989905320 /nfs/dbraw/zinc/90/53/20/989905320.db2.gz HBOPFRDMQBKAIZ-UHFFFAOYSA-N -1 0 346.786 3.504 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2Cl)nc1 ZINC001590409511 989947613 /nfs/dbraw/zinc/94/76/13/989947613.db2.gz MDQBGXJBCTXTRF-UHFFFAOYSA-N -1 0 348.786 3.863 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)nc1 ZINC001590409819 989949484 /nfs/dbraw/zinc/94/94/84/989949484.db2.gz OCHFWDCCEQIDSH-UHFFFAOYSA-N -1 0 348.786 3.863 20 0 EHADRM CCn1ncc(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1-c1ccccc1 ZINC001597953988 989956583 /nfs/dbraw/zinc/95/65/83/989956583.db2.gz ZCZRGPNMLFAYAB-UHFFFAOYSA-N -1 0 349.390 3.829 20 0 EHADRM CC(C)(C)c1cc(C(=O)N(c2ccccc2C(=O)[O-])C2CCC2)no1 ZINC001590451909 990016630 /nfs/dbraw/zinc/01/66/30/990016630.db2.gz WFLTWGKUCHAMAL-UHFFFAOYSA-N -1 0 342.395 3.870 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)c2ncoc2C2CC2)s1 ZINC001590463319 990036739 /nfs/dbraw/zinc/03/67/39/990036739.db2.gz IMGMHOSGSQTMCL-UHFFFAOYSA-N -1 0 334.397 3.862 20 0 EHADRM CC(C)(C)c1ccc(/C=C\C(=O)N(C2CC2)C2(C(=O)[O-])CCC2)cc1 ZINC001590479507 990052702 /nfs/dbraw/zinc/05/27/02/990052702.db2.gz CSVDQPOGZXHHTA-GHXNOFRVSA-N -1 0 341.451 3.996 20 0 EHADRM CC(C)(C)c1ccc(C(=O)Nc2cc(C(=O)[O-])cnc2Cl)cc1 ZINC001590481707 990076133 /nfs/dbraw/zinc/07/61/33/990076133.db2.gz PPYOBGUKYOHLJL-UHFFFAOYSA-N -1 0 332.787 3.983 20 0 EHADRM CN(C(=O)C12CCC(C(=O)[O-])(CC1)CC2)[C@H]1CCCc2ccccc21 ZINC001597996180 990102319 /nfs/dbraw/zinc/10/23/19/990102319.db2.gz IBWNYRNGVNPGAI-RPCJCACASA-N -1 0 341.451 3.948 20 0 EHADRM CN(C(=O)C12CCC(C(=O)[O-])(CC1)CC2)c1nc2ccccc2s1 ZINC001597996912 990106900 /nfs/dbraw/zinc/10/69/00/990106900.db2.gz OQZPEEYXGHOKOF-UHFFFAOYSA-N -1 0 344.436 3.684 20 0 EHADRM CC(C)(C)c1cccc(C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001590499423 990113294 /nfs/dbraw/zinc/11/32/94/990113294.db2.gz VCQTUCNLJRIPCF-QGZVFWFLSA-N -1 0 343.398 3.721 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)CNc1ccc(C(=O)[O-])c(F)c1 ZINC001590505185 990119517 /nfs/dbraw/zinc/11/95/17/990119517.db2.gz DMWRCYPTDWVSLF-UHFFFAOYSA-N -1 0 344.386 3.872 20 0 EHADRM CC(C)(C)c1ccnc(S[C@H](Cc2ccc(F)cc2)C(=O)[O-])n1 ZINC001590515268 990124271 /nfs/dbraw/zinc/12/42/71/990124271.db2.gz BPWXFMDHEDDJER-CYBMUJFWSA-N -1 0 334.416 3.701 20 0 EHADRM CC(C)(C)c1nc(CN2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)co1 ZINC001590539047 990164068 /nfs/dbraw/zinc/16/40/68/990164068.db2.gz XXPGHMOTCBIFDU-LLVKDONJSA-N -1 0 349.456 3.506 20 0 EHADRM CN(C(=O)CCCc1ccc(C2CC2)cc1)C1(C(=O)[O-])CCCC1 ZINC001598012832 990186830 /nfs/dbraw/zinc/18/68/30/990186830.db2.gz POGHGUJWYDEIHG-UHFFFAOYSA-N -1 0 329.440 3.743 20 0 EHADRM CN(C(=O)CCc1ccc(C(C)(C)C)cc1)C1(C(=O)[O-])CCCC1 ZINC001598018501 990201838 /nfs/dbraw/zinc/20/18/38/990201838.db2.gz PPLCQUUYKDTICM-UHFFFAOYSA-N -1 0 331.456 3.773 20 0 EHADRM CN(C(=O)NCCCCCCC(=O)[O-])[C@H]1CCC[C@@H]1C(C)(C)C ZINC001598047455 990286837 /nfs/dbraw/zinc/28/68/37/990286837.db2.gz QNEGZDJQJGUNET-GJZGRUSLSA-N -1 0 326.481 3.878 20 0 EHADRM CN(C(=O)NCCCCCCC(=O)[O-])[C@@H]1CCC[C@H]1C(C)(C)C ZINC001598047456 990286930 /nfs/dbraw/zinc/28/69/30/990286930.db2.gz QNEGZDJQJGUNET-HUUCEWRRSA-N -1 0 326.481 3.878 20 0 EHADRM CC(C)(/C=C/Cl)NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001590615454 990290282 /nfs/dbraw/zinc/29/02/82/990290282.db2.gz VEKZUXCWMFXLLI-OCHBPSSRSA-N -1 0 338.835 3.669 20 0 EHADRM CN(C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F)C1CCCC1 ZINC001598049174 990293368 /nfs/dbraw/zinc/29/33/68/990293368.db2.gz IMBBCSFWIGNQPZ-CYBMUJFWSA-N -1 0 344.333 3.572 20 0 EHADRM CC(C)(CC(=O)N[C@](C)(C(=O)[O-])C1CC1)Cc1ccc(Cl)cc1 ZINC001590621114 990299858 /nfs/dbraw/zinc/29/98/58/990299858.db2.gz UIJQNSUWLWNWBY-SFHVURJKSA-N -1 0 337.847 3.668 20 0 EHADRM CC(C)(CC(=O)N[C@H](C(=O)[O-])c1cccc(O)c1)C1CCCCC1 ZINC001590621093 990299974 /nfs/dbraw/zinc/29/99/74/990299974.db2.gz SGBVISALRRHJLR-KRWDZBQOSA-N -1 0 333.428 3.631 20 0 EHADRM CC(C)(CC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21)C1CCCCC1 ZINC001590621263 990300975 /nfs/dbraw/zinc/30/09/75/990300975.db2.gz XWNGWTZMAKUVHM-AWEZNQCLSA-N -1 0 347.459 3.529 20 0 EHADRM CN(C(=O)Nc1cc(C(=O)[O-])n(C)c1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001598056709 990318374 /nfs/dbraw/zinc/31/83/74/990318374.db2.gz STMRLMYETXVTBH-HZPDHXFCSA-N -1 0 341.411 3.523 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NC1CCC(C)(c2ccccc2)CC1 ZINC001590628872 990321003 /nfs/dbraw/zinc/32/10/03/990321003.db2.gz XNQIQIANDRXTAZ-UHFFFAOYSA-N -1 0 331.456 3.894 20 0 EHADRM CN(C(=O)Nc1cccc(C(=O)[O-])n1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001598062165 990337178 /nfs/dbraw/zinc/33/71/78/990337178.db2.gz UENPKLBELFEMOU-GDBMZVCRSA-N -1 0 339.395 3.580 20 0 EHADRM CC(C)(CCNC(=O)C12CCC(C(=O)[O-])(CC1)C2)c1ccccc1 ZINC001590670313 990369440 /nfs/dbraw/zinc/36/94/40/990369440.db2.gz HNVTWBKRTAWBOY-UHFFFAOYSA-N -1 0 329.440 3.506 20 0 EHADRM CN(C(=O)c1c[nH]c(C(=O)[O-])c1)c1ccc2c(c1)oc1ccccc12 ZINC001598073094 990375555 /nfs/dbraw/zinc/37/55/55/990375555.db2.gz KMZZKVJWZZXOHI-UHFFFAOYSA-N -1 0 334.331 3.889 20 0 EHADRM CN(C(=O)c1ccc(C(F)(F)F)cc1Cl)C(C)(C)CC(=O)[O-] ZINC001598082786 990402222 /nfs/dbraw/zinc/40/22/22/990402222.db2.gz IJALGXVCUKMXQT-UHFFFAOYSA-N -1 0 337.725 3.684 20 0 EHADRM CC(C)(CNC(=O)NC1(c2cccc(Cl)c2)CCC1)CC(=O)[O-] ZINC001590724172 990510890 /nfs/dbraw/zinc/51/08/90/990510890.db2.gz ULYXOWPXZUCVJZ-UHFFFAOYSA-N -1 0 338.835 3.519 20 0 EHADRM CC(C)(CNC(=O)Nc1cc(F)ccc1Oc1ccccc1)C(=O)[O-] ZINC001590727043 990524643 /nfs/dbraw/zinc/52/46/43/990524643.db2.gz RXAOZNCTUSVNIH-UHFFFAOYSA-N -1 0 346.358 3.850 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)C(F)(F)F ZINC001590734450 990529714 /nfs/dbraw/zinc/52/97/14/990529714.db2.gz VMSIFPMFXVEQGJ-UHFFFAOYSA-N -1 0 338.713 3.748 20 0 EHADRM CN(C)C(=O)Sc1ccc(CN(C)c2ccccc2C(=O)[O-])cc1 ZINC001598144575 990610686 /nfs/dbraw/zinc/61/06/86/990610686.db2.gz HWFMRSPGBNJLMA-UHFFFAOYSA-N -1 0 344.436 3.795 20 0 EHADRM CC(C)(Cc1ccc(Cl)cc1)C(=O)NCc1ccc(C(=O)[O-])o1 ZINC001590822051 990662813 /nfs/dbraw/zinc/66/28/13/990662813.db2.gz REFORHVUSRGDNT-UHFFFAOYSA-N -1 0 335.787 3.516 20 0 EHADRM CC(C)(Cc1ccccc1Cl)NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001590827367 990674382 /nfs/dbraw/zinc/67/43/82/990674382.db2.gz QCJDEWVTEFWXRB-UONOGXRCSA-N -1 0 337.847 3.668 20 0 EHADRM CC(C)(NC(=O)Nc1cccc(CSCCC(=O)[O-])c1)C(F)F ZINC001590855854 990742542 /nfs/dbraw/zinc/74/25/42/990742542.db2.gz NJDUCPILLKLSFA-UHFFFAOYSA-N -1 0 346.399 3.560 20 0 EHADRM CC(C)=CC(=O)Nc1c(OCc2ccccc2)cccc1C(=O)[O-] ZINC001590914201 990896028 /nfs/dbraw/zinc/89/60/28/990896028.db2.gz BWISZUVPTMTGEP-UHFFFAOYSA-N -1 0 325.364 3.869 20 0 EHADRM COc1cccc([C@H]2C[C@H](Nc3ncc(C(=O)[O-])cc3Cl)C2)c1 ZINC001599687863 991017079 /nfs/dbraw/zinc/01/70/79/991017079.db2.gz BAKRTBYXYZTDSC-AULYBMBSSA-N -1 0 332.787 3.800 20 0 EHADRM CC(C)[C@@H](C(=O)Nc1cccc(C(=O)[O-])c1Cl)c1cccnc1 ZINC001590957364 991039958 /nfs/dbraw/zinc/03/99/58/991039958.db2.gz SNVIHLFSKZLFNI-CQSZACIVSA-N -1 0 332.787 3.812 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC001590968659 991092286 /nfs/dbraw/zinc/09/22/86/991092286.db2.gz TVLHJGMHPUFMJP-FQEVSTJZSA-N -1 0 341.407 3.934 20 0 EHADRM CC(C)[C@@H](CC(F)(F)F)NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001590976455 991125092 /nfs/dbraw/zinc/12/50/92/991125092.db2.gz QSTBFIPMKVNYDU-LLVKDONJSA-N -1 0 336.285 3.622 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001599696908 991161723 /nfs/dbraw/zinc/16/17/23/991161723.db2.gz MIOJCAVJVLRFIL-UHFFFAOYSA-N -1 0 327.380 3.618 20 0 EHADRM COc1ccccc1[C@@H](NCc1cc(C(=O)[O-])c(C)o1)c1ccco1 ZINC001599700278 991207470 /nfs/dbraw/zinc/20/74/70/991207470.db2.gz OUWAPMKNAMOJDZ-GOSISDBHSA-N -1 0 341.363 3.767 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)N1CCCC12CCCCC2 ZINC001598294251 991218452 /nfs/dbraw/zinc/21/84/52/991218452.db2.gz HMXUKJUBELWSRA-UHFFFAOYSA-N -1 0 345.443 3.781 20 0 EHADRM COc1ccccc1C1(C(=O)Nc2cc(C(=O)[O-])sc2C)CCC1 ZINC001599702100 991235199 /nfs/dbraw/zinc/23/51/99/991235199.db2.gz IDYKUIBEFKZKQT-UHFFFAOYSA-N -1 0 345.420 3.824 20 0 EHADRM COc1ccccc1[C@]1(C)C[C@@H]1Nc1ncc(C(=O)[O-])cc1Cl ZINC001599702315 991238594 /nfs/dbraw/zinc/23/85/94/991238594.db2.gz LNESYLFCUKIYAE-YOEHRIQHSA-N -1 0 332.787 3.584 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)c1cccc(C2CCC2)c1 ZINC001598301041 991251273 /nfs/dbraw/zinc/25/12/73/991251273.db2.gz KZMXPVMKKVSMDI-UHFFFAOYSA-N -1 0 338.407 3.971 20 0 EHADRM CC(C)[C@@H](NC(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccc(C(C)(C)C)cc1 ZINC001591007399 991269316 /nfs/dbraw/zinc/26/93/16/991269316.db2.gz FFIXAVVACBYACO-NVXWUHKLSA-N -1 0 346.471 3.797 20 0 EHADRM CN(C)c1ccc(-n2ccnc2S[C@@H](C(=O)[O-])C(C)(C)C)cc1 ZINC001598308036 991280024 /nfs/dbraw/zinc/28/00/24/991280024.db2.gz UZJHULHCQVQJAF-AWEZNQCLSA-N -1 0 333.457 3.530 20 0 EHADRM CC(C)[C@@H](NC(=O)c1cc(C(=O)[O-])on1)c1ccc(C(C)(C)C)cc1 ZINC001591018599 991297712 /nfs/dbraw/zinc/29/77/12/991297712.db2.gz BIGDLVUBGIQNAR-MRXNPFEDSA-N -1 0 344.411 3.797 20 0 EHADRM CC(C)[C@@H](NC(=O)c1cc(C(=O)[O-])ccc1Cl)c1ccccn1 ZINC001591019285 991303917 /nfs/dbraw/zinc/30/39/17/991303917.db2.gz VGEJTACTRNFNKP-OAHLLOKOSA-N -1 0 332.787 3.560 20 0 EHADRM COc1ccccc1C[C@H](CNC(=O)C[C@H](C)CC(C)(C)C)C(=O)[O-] ZINC001599707163 991310775 /nfs/dbraw/zinc/31/07/75/991310775.db2.gz SSTIQMGEVBZTRP-GOEBONIOSA-N -1 0 349.471 3.517 20 0 EHADRM CN(C)c1cccc(C(=O)O[C@@H]2CCCc3cc(C(=O)[O-])ccc32)c1 ZINC001598335134 991384257 /nfs/dbraw/zinc/38/42/57/991384257.db2.gz AVMMAVVDFVRKIT-GOSISDBHSA-N -1 0 339.391 3.685 20 0 EHADRM CN(C)c1cccc(C(=O)O[C@H]2CCCc3cc(C(=O)[O-])ccc32)c1 ZINC001598335136 991384560 /nfs/dbraw/zinc/38/45/60/991384560.db2.gz AVMMAVVDFVRKIT-SFHVURJKSA-N -1 0 339.391 3.685 20 0 EHADRM CN(C)c1cccc(C(=O)Nc2cccc3cc(C(=O)[O-])sc32)c1 ZINC001598335594 991389402 /nfs/dbraw/zinc/38/94/02/991389402.db2.gz NQRKVAHEDWIIAD-UHFFFAOYSA-N -1 0 340.404 3.918 20 0 EHADRM COc1ccccc1N(C(=O)c1ccc(C(=O)[O-])c(F)c1)C(C)C ZINC001599712301 991391715 /nfs/dbraw/zinc/39/17/15/991391715.db2.gz ZUQQAWBQAYNURW-UHFFFAOYSA-N -1 0 331.343 3.588 20 0 EHADRM CC(C)[C@@H](SCc1ccccc1C(=O)[O-])C(=O)NCc1ccco1 ZINC001591051692 991452568 /nfs/dbraw/zinc/45/25/68/991452568.db2.gz GKYAXUVIRCCMAV-MRXNPFEDSA-N -1 0 347.436 3.552 20 0 EHADRM CC(C)[C@H](SCc1ccccc1)C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC001591052878 991461876 /nfs/dbraw/zinc/46/18/76/991461876.db2.gz XNYRRWBWRVBWRY-RYRKJORJSA-N -1 0 349.496 3.704 20 0 EHADRM CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001591059076 991481040 /nfs/dbraw/zinc/48/10/40/991481040.db2.gz ZIEXHWAEOQNBBU-WWGRRREGSA-N -1 0 343.345 3.787 20 0 EHADRM CC(C)[C@@]1(C)C[C@H]1NC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001591060940 991495534 /nfs/dbraw/zinc/49/55/34/991495534.db2.gz BUGSPEDBYVOQPR-IAQYHMDHSA-N -1 0 328.771 3.733 20 0 EHADRM CC(C)[C@H]1C[C@H](CC(=O)Oc2ccc(Cl)cc2C(=O)[O-])CCO1 ZINC001591073342 991540948 /nfs/dbraw/zinc/54/09/48/991540948.db2.gz VOUFGQBOKYPXPB-IAQYHMDHSA-N -1 0 340.803 3.785 20 0 EHADRM CC(C)[C@H]1C[C@@H]1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001591078911 991568550 /nfs/dbraw/zinc/56/85/50/991568550.db2.gz AFAQMRJUIBTSMP-CABCVRRESA-N -1 0 327.380 3.534 20 0 EHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)CC1 ZINC001591081843 991594509 /nfs/dbraw/zinc/59/45/09/991594509.db2.gz LKHIZLKYFXPYFA-NKMKZGIRSA-N -1 0 343.467 3.966 20 0 EHADRM COc1cnc2ccccc2c1C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001599725573 991616780 /nfs/dbraw/zinc/61/67/80/991616780.db2.gz LEZZVEDTJRWCRP-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM COc1cncc(/C=C\CCNc2ccc(CCC(=O)[O-])cc2)c1 ZINC001599726845 991641865 /nfs/dbraw/zinc/64/18/65/991641865.db2.gz VUIDDAOOTKPFDK-RQOWECAXSA-N -1 0 326.396 3.623 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)c2[nH]c3ccccc3c2CC(=O)[O-])[C@@H]1C(C)C ZINC001591093402 991659097 /nfs/dbraw/zinc/65/90/97/991659097.db2.gz SFZKNTMXAVDEHI-HNAYVOBHSA-N -1 0 342.439 3.548 20 0 EHADRM COc1nc(C(=O)Nc2cccc(C(=O)[O-])c2C)cc2ccccc21 ZINC001599730070 991697308 /nfs/dbraw/zinc/69/73/08/991697308.db2.gz JXWPWNAUKPXZNO-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM CC(C)[C@H]1N(C(=O)c2csc(C(=O)[O-])n2)CC12CCCCCC2 ZINC001591098693 991704498 /nfs/dbraw/zinc/70/44/98/991704498.db2.gz DIZFTCVYNHMCNR-CYBMUJFWSA-N -1 0 336.457 3.662 20 0 EHADRM CC(C)[C@@H]1N(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)CC1(C)C ZINC001591099072 991707594 /nfs/dbraw/zinc/70/75/94/991707594.db2.gz JZPPRIUJWIQIDC-INIZCTEOSA-N -1 0 341.411 3.831 20 0 EHADRM CC(C)[C@H]1N(c2cc(C(F)(F)F)c(C(=O)[O-])cn2)CC12CC=CC2 ZINC001591100362 991723417 /nfs/dbraw/zinc/72/34/17/991723417.db2.gz WQCUHXAFWRULLA-CQSZACIVSA-N -1 0 340.345 3.980 20 0 EHADRM CC(C)CC(=O)OCSc1ccc(Br)cc1C(=O)[O-] ZINC001591117546 991777239 /nfs/dbraw/zinc/77/72/39/991777239.db2.gz CQZFLAZOSILVQP-UHFFFAOYSA-N -1 0 347.230 3.786 20 0 EHADRM CC(C)C[C@@H](C)N(C(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccc2[nH]ccc2c1 ZINC001591134620 991839570 /nfs/dbraw/zinc/83/95/70/991839570.db2.gz XKJAKNCPEHDAGW-UHOFOFEASA-N -1 0 328.412 3.656 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1cccc2c1ccn2CC(C)C)C(=O)[O-] ZINC001591156173 991901978 /nfs/dbraw/zinc/90/19/78/991901978.db2.gz MNFDNHQTSFIXCP-OAHLLOKOSA-N -1 0 344.455 3.774 20 0 EHADRM CC(C)C[C@H](CNc1ccnc(CSc2ccccc2)n1)C(=O)[O-] ZINC001591162517 991923348 /nfs/dbraw/zinc/92/33/48/991923348.db2.gz HIHWSRZQRZXRIP-CQSZACIVSA-N -1 0 345.468 3.928 20 0 EHADRM CN(CC1CCCC1)C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001598455001 991926742 /nfs/dbraw/zinc/92/67/42/991926742.db2.gz LXVVTAPVJFEOSV-UHFFFAOYSA-N -1 0 336.457 3.907 20 0 EHADRM CN(C[C@H]1CCc2ccccc21)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001598467655 991977823 /nfs/dbraw/zinc/97/78/23/991977823.db2.gz NTKMEKIJDHVVGM-GFCCVEGCSA-N -1 0 330.409 3.640 20 0 EHADRM CC(C)C[C@H](NC(=O)N1CCC(CC(=O)[O-])CC1)c1cccs1 ZINC001591178858 991978021 /nfs/dbraw/zinc/97/80/21/991978021.db2.gz WCLPBVHOKANBRV-AWEZNQCLSA-N -1 0 338.473 3.732 20 0 EHADRM CC(C)C[C@H](NC(=O)NC[C@H](CC(=O)[O-])C1CC1)c1ccccc1 ZINC001591178869 991978549 /nfs/dbraw/zinc/97/85/49/991978549.db2.gz WJBLRRMGTDPHKU-IRXDYDNUSA-N -1 0 332.444 3.574 20 0 EHADRM CC(C)C[C@@H](Sc1nc(C2CC2)nn1-c1ccccc1)C(=O)[O-] ZINC001591191333 992001396 /nfs/dbraw/zinc/00/13/96/992001396.db2.gz VZNIMSDEEBNSIU-CQSZACIVSA-N -1 0 331.441 3.736 20 0 EHADRM CC(C)CC1(C(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)CCCC1 ZINC001591191750 992004589 /nfs/dbraw/zinc/00/45/89/992004589.db2.gz FJDDSRVAQMKBCL-KRWDZBQOSA-N -1 0 331.456 3.795 20 0 EHADRM CN(CCC1CC1)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001598470828 992023309 /nfs/dbraw/zinc/02/33/09/992023309.db2.gz UVSNOTKYUJZTDT-UHFFFAOYSA-N -1 0 342.395 3.567 20 0 EHADRM CC(C)C[C@@H]1CCCN(C(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)C1 ZINC001591207432 992040754 /nfs/dbraw/zinc/04/07/54/992040754.db2.gz LMHZAYGDKKKHKS-VPWXQRGCSA-N -1 0 329.440 3.530 20 0 EHADRM CC(C)CC[C@H](C)NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001591217005 992071812 /nfs/dbraw/zinc/07/18/12/992071812.db2.gz CEPJBSPVWPHKRM-GOEBONIOSA-N -1 0 334.460 3.962 20 0 EHADRM CC(C)CCC[NH+]1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC001591238723 992126174 /nfs/dbraw/zinc/12/61/74/992126174.db2.gz QWFUXWRGGQSPMH-QGZVFWFLSA-N -1 0 338.879 3.520 20 0 EHADRM CC(C)CCO[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC001591256185 992155183 /nfs/dbraw/zinc/15/51/83/992155183.db2.gz FSQMDQHHONFOCB-SNVBAGLBSA-N -1 0 347.333 3.793 20 0 EHADRM CC(C)CCO[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC001591256184 992155248 /nfs/dbraw/zinc/15/52/48/992155248.db2.gz FSQMDQHHONFOCB-JTQLQIEISA-N -1 0 347.333 3.793 20 0 EHADRM CC(C)CCc1ccc(NC(=O)NC[C@H](CC(=O)[O-])C2CC2)cc1 ZINC001591266879 992182342 /nfs/dbraw/zinc/18/23/42/992182342.db2.gz TVMUESNCRAKXHZ-INIZCTEOSA-N -1 0 332.444 3.898 20 0 EHADRM CC(C)CN(C(=O)[C@@H](C)CC(=O)[O-])[C@@H](C)c1ccccc1Cl ZINC001591281587 992216911 /nfs/dbraw/zinc/21/69/11/992216911.db2.gz UIICPMYDHJFUKH-STQMWFEESA-N -1 0 325.836 3.996 20 0 EHADRM CC(C)CN(C(=O)CCCc1ccc(F)c(F)c1)C(C)(C)C(=O)[O-] ZINC001591281740 992219969 /nfs/dbraw/zinc/21/99/69/992219969.db2.gz ZPANCTVMFSXGSL-UHFFFAOYSA-N -1 0 341.398 3.635 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)Cc1cccc(OC(C)C)c1 ZINC001591309261 992265646 /nfs/dbraw/zinc/26/56/46/992265646.db2.gz QSGLTTUCUNUJHK-UHFFFAOYSA-N -1 0 349.471 3.612 20 0 EHADRM CC(C)CN(CC(F)(F)F)C(=O)CSc1ccc(C(=O)[O-])cc1 ZINC001591320617 992286015 /nfs/dbraw/zinc/28/60/15/992286015.db2.gz REVJNPYWCDLUSO-UHFFFAOYSA-N -1 0 349.374 3.524 20 0 EHADRM CC(C)CN(CCc1ccccc1)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001591342774 992321471 /nfs/dbraw/zinc/32/14/71/992321471.db2.gz KJYJPTLPIARFCX-UHFFFAOYSA-N -1 0 341.411 3.512 20 0 EHADRM C[S@](=O)c1ccc(CNc2cccc3cc(C(=O)[O-])sc32)cc1 ZINC001599777938 992328000 /nfs/dbraw/zinc/32/80/00/992328000.db2.gz BBCNFKOABBBEPK-QHCPKHFHSA-N -1 0 345.445 3.949 20 0 EHADRM CN(CCOc1cccc(Cl)c1)c1nc(Cl)c(C(=O)[O-])s1 ZINC001598499187 992407381 /nfs/dbraw/zinc/40/73/81/992407381.db2.gz CNWFHBRMZCEEOZ-UHFFFAOYSA-N -1 0 347.223 3.663 20 0 EHADRM CC(C)COc1ccc(-c2nc(-c3cc(C(=O)[O-])co3)no2)cc1 ZINC001591396384 992458817 /nfs/dbraw/zinc/45/88/17/992458817.db2.gz FBVZHWWOGQSHCN-UHFFFAOYSA-N -1 0 328.324 3.730 20 0 EHADRM CC(C)COc1cccc(C(=O)O[C@H](C(=O)[O-])c2ccccc2)c1 ZINC001591401768 992477392 /nfs/dbraw/zinc/47/73/92/992477392.db2.gz RSTRSORNQMLAHA-KRWDZBQOSA-N -1 0 328.364 3.704 20 0 EHADRM CC(C)COc1cccc(CNC(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC001591402206 992482047 /nfs/dbraw/zinc/48/20/47/992482047.db2.gz VBWAZESWKJBKGW-UHFFFAOYSA-N -1 0 348.424 3.803 20 0 EHADRM CC(C)COc1ccccc1NC(=O)c1ccccc1CCC(=O)[O-] ZINC001591409406 992485115 /nfs/dbraw/zinc/48/51/15/992485115.db2.gz FPWAARQVIHSPMB-UHFFFAOYSA-N -1 0 341.407 3.991 20 0 EHADRM CC(C)CSCCCNC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001591415600 992493592 /nfs/dbraw/zinc/49/35/92/992493592.db2.gz CQZUWLFMHXBQIJ-UHFFFAOYSA-N -1 0 338.473 3.605 20 0 EHADRM CN(Cc1cc(C(=O)[O-])ccc1Br)c1ccccc1F ZINC001598507476 992524636 /nfs/dbraw/zinc/52/46/36/992524636.db2.gz ROTRKNKQIBZZDG-UHFFFAOYSA-N -1 0 338.176 3.923 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001598510393 992562648 /nfs/dbraw/zinc/56/26/48/992562648.db2.gz QLKPPIIZCNHGNN-RTBURBONSA-N -1 0 337.419 3.927 20 0 EHADRM CC(C)Cc1ccc(C(=O)N2CCc3cccc(C(=O)[O-])c3C2)s1 ZINC001591477364 992598261 /nfs/dbraw/zinc/59/82/61/992598261.db2.gz OITVDRPHCVVNPU-UHFFFAOYSA-N -1 0 343.448 3.843 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)N[C@H](C(=O)[O-])c2cccs2)cc1 ZINC001591484138 992607913 /nfs/dbraw/zinc/60/79/13/992607913.db2.gz SAKUZWRBPUBOGV-SFHVURJKSA-N -1 0 345.464 3.821 20 0 EHADRM CC(C)Cc1ccc(C(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)cc1 ZINC001591484705 992612275 /nfs/dbraw/zinc/61/22/75/992612275.db2.gz RYFAARFGUVRYLD-UHFFFAOYSA-N -1 0 346.452 3.956 20 0 EHADRM CC(C)Cc1ccc(C(=O)Nc2nc3c(cccc3C(=O)[O-])[nH]2)cc1 ZINC001591484850 992612827 /nfs/dbraw/zinc/61/28/27/992612827.db2.gz VDFMYEWRYTWFGT-UHFFFAOYSA-N -1 0 337.379 3.712 20 0 EHADRM CC(C)Cc1ccc(CC(=O)NCc2ccc(C(=O)[O-])s2)cc1 ZINC001591484844 992613072 /nfs/dbraw/zinc/61/30/72/992613072.db2.gz UNYZQTWFPRHYJF-UHFFFAOYSA-N -1 0 331.437 3.504 20 0 EHADRM CC(C)Cc1ccc([C@@H](NC(=S)NCCCC(=O)[O-])C2CC2)cc1 ZINC001591484906 992614128 /nfs/dbraw/zinc/61/41/28/992614128.db2.gz XCUKAIXMEVUNEF-GOSISDBHSA-N -1 0 348.512 3.665 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)NC[C@@H](CC2CC2)C(=O)[O-])c1 ZINC001591488226 992614897 /nfs/dbraw/zinc/61/48/97/992614897.db2.gz BSSZTLOKLYPBHX-RDTXWAMCSA-N -1 0 331.456 3.606 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)OCc2ccc(C(=O)[O-])cn2)cc1 ZINC001591488247 992615861 /nfs/dbraw/zinc/61/58/61/992615861.db2.gz CTDAECLFWHMPJT-AWEZNQCLSA-N -1 0 341.407 3.825 20 0 EHADRM CN(Cc1ccc2cc[nH]c2c1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001598524547 992702933 /nfs/dbraw/zinc/70/29/33/992702933.db2.gz IDBDOKGEPYJXRE-UHFFFAOYSA-N -1 0 341.342 3.669 20 0 EHADRM CC(C)Cn1ncc(N[C@@H](C)c2ncc(C(=O)[O-])s2)c1C(C)C ZINC001591534064 992714464 /nfs/dbraw/zinc/71/44/64/992714464.db2.gz UUTCTXYUYRXHCL-NSHDSACASA-N -1 0 336.461 3.990 20 0 EHADRM CN(Cc1ccccc1)c1ccccc1NC(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001598530040 992768377 /nfs/dbraw/zinc/76/83/77/992768377.db2.gz XWFMOOVCONEJHH-UHFFFAOYSA-N -1 0 349.390 3.602 20 0 EHADRM CC(C)N(CCc1ccccc1)C(=O)CCc1ccccc1C(=O)[O-] ZINC001591595426 992819130 /nfs/dbraw/zinc/81/91/30/992819130.db2.gz PSUDQTYMWDTBIC-UHFFFAOYSA-N -1 0 339.435 3.797 20 0 EHADRM CN(Cc1cncs1)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598533904 992825640 /nfs/dbraw/zinc/82/56/40/992825640.db2.gz JSLFTLKBHSJLSE-LBPRGKRZSA-N -1 0 331.224 3.708 20 0 EHADRM CC(C)N(Cc1ccc(F)cc1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001591597125 992827479 /nfs/dbraw/zinc/82/74/79/992827479.db2.gz YMGBXOPKUDZLNG-UHFFFAOYSA-N -1 0 330.359 3.966 20 0 EHADRM CN(Cc1cscn1)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598535859 992839458 /nfs/dbraw/zinc/83/94/58/992839458.db2.gz AZCMGUQVFWWMJP-GFCCVEGCSA-N -1 0 331.224 3.708 20 0 EHADRM CN(Cc1nccs1)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598539201 992879983 /nfs/dbraw/zinc/87/99/83/992879983.db2.gz XBLAPPSIXHGNSW-GFCCVEGCSA-N -1 0 331.224 3.708 20 0 EHADRM C[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)c1cnn(CC2CCC2)c1 ZINC000890673125 1015767612 /nfs/dbraw/zinc/76/76/12/1015767612.db2.gz BDIGPKANPUDMES-LLVKDONJSA-N -1 0 333.819 3.533 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(F)c2)o1 ZINC000538014686 1015764383 /nfs/dbraw/zinc/76/43/83/1015764383.db2.gz CUXBGQNJXWWPML-UHFFFAOYSA-N -1 0 339.388 3.849 20 0 EHADRM COc1ccc(N(C(=O)c2cc(C)c(C(=O)[O-])o2)[C@@H](C)C2CC2)cc1 ZINC001599583415 993581666 /nfs/dbraw/zinc/58/16/66/993581666.db2.gz UMHHRNXCSBWDEH-LBPRGKRZSA-N -1 0 343.379 3.740 20 0 EHADRM COc1ccc(NC(=O)/C=C/Sc2ccccc2)c(C(=O)[O-])c1 ZINC001599590653 993677552 /nfs/dbraw/zinc/67/75/52/993677552.db2.gz RIKOPCPNRCCNHN-MDZDMXLPSA-N -1 0 329.377 3.638 20 0 EHADRM C[C@@H](NC(=O)NCC1(CC(=O)[O-])CCCC1)c1cccc(C2CC2)c1 ZINC001593088987 993703997 /nfs/dbraw/zinc/70/39/97/993703997.db2.gz PGRQNFLOKIUDIS-CQSZACIVSA-N -1 0 344.455 3.959 20 0 EHADRM C[C@H](NC(=O)NCCCCCCC(=O)[O-])c1ccc2ncsc2c1 ZINC001593094073 993711849 /nfs/dbraw/zinc/71/18/49/993711849.db2.gz GHKBHYANTVEVJX-LBPRGKRZSA-N -1 0 349.456 3.692 20 0 EHADRM COc1ccc(NC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)cc1 ZINC001599594306 993729208 /nfs/dbraw/zinc/72/92/08/993729208.db2.gz NQZGCJHZSXZCTQ-UHFFFAOYSA-N -1 0 325.324 3.519 20 0 EHADRM COc1ccc(N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])cc1OC(C)C ZINC001599599154 993790630 /nfs/dbraw/zinc/79/06/30/993790630.db2.gz IIXULJYTHRIBMA-INIZCTEOSA-N -1 0 347.386 3.729 20 0 EHADRM C[C@H](NC(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1)C1CCCCC1 ZINC001593125418 993863482 /nfs/dbraw/zinc/86/34/82/993863482.db2.gz YOIKRFVUVSPYSX-JTQLQIEISA-N -1 0 339.461 3.596 20 0 EHADRM C[C@@H](NC(=O)OC(C)(C)C)c1ccc(OCC2(C(=O)[O-])CC2)cc1 ZINC001593134584 993898787 /nfs/dbraw/zinc/89/87/87/993898787.db2.gz KCVGKPZOVJTBDE-GFCCVEGCSA-N -1 0 335.400 3.516 20 0 EHADRM C[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1cc(Cl)cc(Cl)c1F ZINC001593142001 993934759 /nfs/dbraw/zinc/93/47/59/993934759.db2.gz NUUOLOUIFHWHGT-HRDYMLBCSA-N -1 0 348.201 3.811 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])s1)c1ccc2ncsc2c1 ZINC001593159902 993989305 /nfs/dbraw/zinc/98/93/05/993989305.db2.gz RCJQRICHKRLDLF-MRVPVSSYSA-N -1 0 332.406 3.547 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(F)c(C(=O)[O-])c2C)cc1 ZINC001599620407 994073200 /nfs/dbraw/zinc/07/32/00/994073200.db2.gz OUKDEDODNHXXCQ-UONOGXRCSA-N -1 0 343.354 3.583 20 0 EHADRM COc1ccc2c(c1)[C@H](C(=O)Nc1ccsc1C(=O)[O-])CCC2 ZINC001599624777 994132929 /nfs/dbraw/zinc/13/29/29/994132929.db2.gz JFEPOMCAQYDUQI-GFCCVEGCSA-N -1 0 331.393 3.514 20 0 EHADRM COc1ccc2c(c1)[C@@H](C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1)CCC2 ZINC001599625125 994137255 /nfs/dbraw/zinc/13/72/55/994137255.db2.gz LFRBGHDOEQHHBS-FZMZJTMJSA-N -1 0 344.363 3.711 20 0 EHADRM O=C([O-])CCN(C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)C1CC1 ZINC000238042809 1015840301 /nfs/dbraw/zinc/84/03/01/1015840301.db2.gz PAWUWPOXLUGIMN-ZIAGYGMSSA-N -1 0 342.222 3.563 20 0 EHADRM C[C@@H](N[C@H]1CC(C)(C)Oc2ccc(N)cc21)c1cc(C(=O)[O-])co1 ZINC001593208852 994232569 /nfs/dbraw/zinc/23/25/69/994232569.db2.gz GRIPBUDVSLAZLK-YGRLFVJLSA-N -1 0 330.384 3.513 20 0 EHADRM COc1ccc2sc(C(=O)N([C@@H](C)C(=O)[O-])C3CCC3)c(C)c2c1 ZINC001599638141 994319597 /nfs/dbraw/zinc/31/95/97/994319597.db2.gz DFKYRXIUGQSKFX-NSHDSACASA-N -1 0 347.436 3.686 20 0 EHADRM COc1cccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)c1C ZINC001599642342 994376904 /nfs/dbraw/zinc/37/69/04/994376904.db2.gz GXEDLEBXGIIEQE-UHFFFAOYSA-N -1 0 337.734 3.747 20 0 EHADRM COc1cccc(C(=O)[O-])c1CSC[C@H]1OCCc2ccccc21 ZINC001599645749 994422964 /nfs/dbraw/zinc/42/29/64/994422964.db2.gz ZMDWWDWYCJJIOO-GOSISDBHSA-N -1 0 344.432 3.941 20 0 EHADRM COc1cccc([C@H](C(=O)[O-])N(C)Cc2ccccc2OC(C)C)c1 ZINC001599649312 994471870 /nfs/dbraw/zinc/47/18/70/994471870.db2.gz CXGXWIUAZJMIBO-LJQANCHMSA-N -1 0 343.423 3.740 20 0 EHADRM COc1cccc([C@H](C)CC(=O)Nc2cc(F)cc(C(=O)[O-])c2F)c1 ZINC001599655042 994564909 /nfs/dbraw/zinc/56/49/09/994564909.db2.gz INIRXCHRMLXMOH-SNVBAGLBSA-N -1 0 349.333 3.804 20 0 EHADRM CNC(=O)c1cccc(CSc2cc(Cl)ccc2C(=O)[O-])c1 ZINC001598660096 994583073 /nfs/dbraw/zinc/58/30/73/994583073.db2.gz FMWOBWMQNZHQLG-UHFFFAOYSA-N -1 0 335.812 3.690 20 0 EHADRM COc1cccc([C@@H](C)NC(=O)Nc2c(C)sc(C)c2C(=O)[O-])c1 ZINC001599656900 994596055 /nfs/dbraw/zinc/59/60/55/994596055.db2.gz HXXVDAQLBSXYDP-SECBINFHSA-N -1 0 348.424 3.954 20 0 EHADRM COc1cccc([C@@H](C)SCC(=O)Nc2ccccc2C(=O)[O-])c1 ZINC001599657267 994602269 /nfs/dbraw/zinc/60/22/69/994602269.db2.gz LRKDQKPYZBJPJX-GFCCVEGCSA-N -1 0 345.420 3.826 20 0 EHADRM C[C@@H](NCc1ccc(C(=O)[O-])[nH]1)c1nc(-c2ccccc2)cs1 ZINC001593291753 994670165 /nfs/dbraw/zinc/67/01/65/994670165.db2.gz CCTBMEZUEJAONV-LLVKDONJSA-N -1 0 327.409 3.687 20 0 EHADRM COc1cccc([C@@H](OC(=O)c2cncc(C(=O)[O-])c2)C(C)(C)C)c1 ZINC001599662817 994682061 /nfs/dbraw/zinc/68/20/61/994682061.db2.gz TVCGHUGQUBILRJ-MRXNPFEDSA-N -1 0 343.379 3.733 20 0 EHADRM Cc1cc(O)cc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000705572388 1015888960 /nfs/dbraw/zinc/88/89/60/1015888960.db2.gz FPZKENCFELZXPY-UHFFFAOYSA-N -1 0 338.237 3.870 20 0 EHADRM C[C@@H](NCc1noc(CCCC(=O)[O-])n1)c1cc2ccccc2s1 ZINC001593317281 994816956 /nfs/dbraw/zinc/81/69/56/994816956.db2.gz OAJDKKNBNUVQBV-LLVKDONJSA-N -1 0 345.424 3.542 20 0 EHADRM C[C@H](Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C)[C@H]1C[C@@H]1C(=O)[O-] ZINC001593365647 995042379 /nfs/dbraw/zinc/04/23/79/995042379.db2.gz DPXNTBHNFRYBOP-GLQYFDAESA-N -1 0 346.427 3.505 20 0 EHADRM C[C@H](Nc1cnn(C(C)(C)C(=O)[O-])c1)c1ccc(F)c(Cl)c1 ZINC001593368172 995061482 /nfs/dbraw/zinc/06/14/82/995061482.db2.gz VBDLQGLVBPWZFZ-VIFPVBQESA-N -1 0 325.771 3.668 20 0 EHADRM C[C@H](OC(=O)CCC(C)(C)c1ccccc1)c1nc(C(=O)[O-])co1 ZINC001593515055 995536285 /nfs/dbraw/zinc/53/62/85/995536285.db2.gz MCZBQEMLSUJPFA-LBPRGKRZSA-N -1 0 331.368 3.735 20 0 EHADRM C[C@@H](OC(=O)Cc1ccc(C(C)(C)C)cc1)c1nc(C(=O)[O-])co1 ZINC001593534551 995590431 /nfs/dbraw/zinc/59/04/31/995590431.db2.gz CKDJBZFFHHIBQW-LLVKDONJSA-N -1 0 331.368 3.517 20 0 EHADRM C[C@H](OC(=O)Cc1ccc(Cl)c(Cl)c1)c1nc(C(=O)[O-])co1 ZINC001593535678 995597913 /nfs/dbraw/zinc/59/79/13/995597913.db2.gz XREIAQBKNCPZCC-ZETCQYMHSA-N -1 0 344.150 3.527 20 0 EHADRM C[C@H](OC(=O)c1ccc(C(F)F)c(F)c1)c1cc(C(=O)[O-])co1 ZINC001593579276 995694424 /nfs/dbraw/zinc/69/44/24/995694424.db2.gz WWVUOFBJVOTHQR-ZETCQYMHSA-N -1 0 328.242 3.973 20 0 EHADRM C[C@@H](OC(=O)c1occc1C(=O)[O-])c1cccc(Br)c1 ZINC001593601159 995755818 /nfs/dbraw/zinc/75/58/18/995755818.db2.gz IHPOAJKLFXYBMT-MRVPVSSYSA-N -1 0 339.141 3.658 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC001593602330 995762878 /nfs/dbraw/zinc/76/28/78/995762878.db2.gz CJGSKTSWWJWWBS-WMLDXEAASA-N -1 0 339.476 3.512 20 0 EHADRM C[C@H](OC1CCCCC1)C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001593603116 995767710 /nfs/dbraw/zinc/76/77/10/995767710.db2.gz PWBSKEQUNFFBLO-XHDPSFHLSA-N -1 0 340.803 3.747 20 0 EHADRM C[C@@H](Oc1cc(Br)cc(C(=O)[O-])c1)C(=O)C(C)(C)C ZINC001593610660 995803804 /nfs/dbraw/zinc/80/38/04/995803804.db2.gz HAZSXMFSPWLEMY-MRVPVSSYSA-N -1 0 329.190 3.530 20 0 EHADRM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N([C@@H](C)C(=O)[O-])C1CCC1 ZINC001593612356 995815327 /nfs/dbraw/zinc/81/53/27/995815327.db2.gz QLOPKDZFHWBJSE-UONOGXRCSA-N -1 0 347.455 3.606 20 0 EHADRM C[C@H](Oc1ccc(CN2CCc3ccc(Cl)cc32)cc1)C(=O)[O-] ZINC001593615785 995839036 /nfs/dbraw/zinc/83/90/36/995839036.db2.gz QGJQVTJPHIRZCP-LBPRGKRZSA-N -1 0 331.799 3.755 20 0 EHADRM C[C@@H](Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1)c1nc2ccccc2o1 ZINC001593633550 995923808 /nfs/dbraw/zinc/92/38/08/995923808.db2.gz ICBSRYKWJCFARO-MNOVXSKESA-N -1 0 344.342 3.992 20 0 EHADRM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)NC1(CC(=O)[O-])CCCC1 ZINC001593634916 995929198 /nfs/dbraw/zinc/92/91/98/995929198.db2.gz GSEBYKAYPQLAOE-AWEZNQCLSA-N -1 0 347.455 3.655 20 0 EHADRM CC(C)c1cccc(O[C@H](C)C(=O)NCC2(CC(=O)[O-])CCCC2)c1 ZINC001593636178 995936230 /nfs/dbraw/zinc/93/62/30/995936230.db2.gz KJCBBIMPLRVGFP-OAHLLOKOSA-N -1 0 347.455 3.729 20 0 EHADRM C[C@@H](Oc1ccccc1)C(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1 ZINC001593641154 995948982 /nfs/dbraw/zinc/94/89/82/995948982.db2.gz WOOOWQNJBTWLFB-WBVHZDCISA-N -1 0 347.455 3.774 20 0 EHADRM C[C@@H](Oc1ccccc1CNc1cccc(-c2ccon2)c1)C(=O)[O-] ZINC001593651593 996012179 /nfs/dbraw/zinc/01/21/79/996012179.db2.gz MUMJNNLSDMKVDK-CYBMUJFWSA-N -1 0 338.363 3.806 20 0 EHADRM Cc1c2cccc(Cl)c2oc1C(=O)N=c1ccc(OC(C)C)n[n-]1 ZINC000441579014 1015995289 /nfs/dbraw/zinc/99/52/89/1015995289.db2.gz GUEJIZKINALMND-UHFFFAOYSA-N -1 0 345.786 3.646 20 0 EHADRM C[C@H](SCC(=O)NC1(C(=O)[O-])CCCCC1)c1cccc(F)c1 ZINC001593658481 996031999 /nfs/dbraw/zinc/03/19/99/996031999.db2.gz HHXQHMACETZANR-LBPRGKRZSA-N -1 0 339.432 3.524 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC001593663817 996046603 /nfs/dbraw/zinc/04/66/03/996046603.db2.gz SREPFGCWOVVEKT-PBHICJAKSA-N -1 0 349.496 3.848 20 0 EHADRM C[C@H](Sc1ccc(C(=O)[O-])cc1)C(=O)N1CCCc2ccccc21 ZINC001593664105 996049005 /nfs/dbraw/zinc/04/90/05/996049005.db2.gz HFUQXHQGXLQVKY-ZDUSSCGKSA-N -1 0 341.432 3.845 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CC[C@@H]1C1CCCC1)C(=O)[O-] ZINC001593667147 996056124 /nfs/dbraw/zinc/05/61/24/996056124.db2.gz BGUCLZVVKBHEHU-SWLSCSKDSA-N -1 0 333.453 3.657 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CCC(C2CC2)CC1)C(=O)[O-] ZINC001593668781 996066453 /nfs/dbraw/zinc/06/64/53/996066453.db2.gz WOZYDFGLVNRXGV-LBPRGKRZSA-N -1 0 333.453 3.514 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001593673333 996083736 /nfs/dbraw/zinc/08/37/36/996083736.db2.gz JRPODMDSQQSBJR-VIFPVBQESA-N -1 0 336.800 3.553 20 0 EHADRM C[C@H](c1cc2ccccc2o1)N(C)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001593685958 996120485 /nfs/dbraw/zinc/12/04/85/996120485.db2.gz GUURIFCVDJDBCI-LLVKDONJSA-N -1 0 339.351 3.751 20 0 EHADRM C[C@H](c1ccc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1)C(F)(F)F ZINC001593687117 996125207 /nfs/dbraw/zinc/12/52/07/996125207.db2.gz VEKXJMCYKNHVOE-MISXGVKJSA-N -1 0 343.345 3.535 20 0 EHADRM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001593693090 996142560 /nfs/dbraw/zinc/14/25/60/996142560.db2.gz JSQGZFDMNLYJQS-INTQDDNPSA-N -1 0 330.211 3.624 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1Cl)N(C)c1ncc(C(=O)[O-])cn1 ZINC001593693557 996145750 /nfs/dbraw/zinc/14/57/50/996145750.db2.gz OCVOKPFXHZBYJJ-QMMMGPOBSA-N -1 0 326.183 3.679 20 0 EHADRM CC(=O)Nc1cc(NC(=O)c2cc(Cl)ccc2[O-])ccc1Cl ZINC000063334568 1016008230 /nfs/dbraw/zinc/00/82/30/1016008230.db2.gz BNPUZGSMIIWNND-UHFFFAOYSA-N -1 0 339.178 3.910 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001593714345 996230070 /nfs/dbraw/zinc/23/00/70/996230070.db2.gz WZUSDHXREBJFSS-RJCSOLBVSA-N -1 0 333.771 3.864 20 0 EHADRM C[C@H](c1ncc(C(=O)[O-])s1)N(Cc1ccco1)Cc1ccco1 ZINC001593730926 996298308 /nfs/dbraw/zinc/29/83/08/996298308.db2.gz BQMWYOPSLFXQPA-LLVKDONJSA-N -1 0 332.381 3.791 20 0 EHADRM C[C@@H](c1ncc(C(=O)[O-])s1)N1CCN(C2CC2)c2cc(F)ccc21 ZINC001593736475 996326046 /nfs/dbraw/zinc/32/60/46/996326046.db2.gz AJNZMJQZRXPVOV-JTQLQIEISA-N -1 0 347.415 3.530 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)c2ccsc2)c(F)c1 ZINC000080667920 1016023886 /nfs/dbraw/zinc/02/38/86/1016023886.db2.gz KOHLCNHCVYYMBL-JTQLQIEISA-N -1 0 327.402 3.645 20 0 EHADRM O=C([O-])CCN(CC1CC1)C(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000683304396 1016025419 /nfs/dbraw/zinc/02/54/19/1016025419.db2.gz JVGFRHUVPVRQLF-UHFFFAOYSA-N -1 0 335.403 3.585 20 0 EHADRM C[C@H](c1cccs1)c1noc(CCc2ccccc2C(=O)[O-])n1 ZINC001593739721 996354234 /nfs/dbraw/zinc/35/42/34/996354234.db2.gz KMABZVDCSXSNKR-LLVKDONJSA-N -1 0 328.393 3.766 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2cc(C(F)F)ccc2Cl)C1 ZINC001593771753 996466551 /nfs/dbraw/zinc/46/65/51/996466551.db2.gz XVYHFCKXUPUEOE-OAHLLOKOSA-N -1 0 346.761 3.996 20 0 EHADRM CC1(C)C(C)(C)C1(C)NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001593830105 996572418 /nfs/dbraw/zinc/57/24/18/996572418.db2.gz AASAGZOVBVDVCC-UONOGXRCSA-N -1 0 330.428 3.821 20 0 EHADRM CC1(C)[C@H](c2ccc(F)cc2)CCN1C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001593838513 996598741 /nfs/dbraw/zinc/59/87/41/996598741.db2.gz XAONTTIGGSWOJM-BBWFWOEESA-N -1 0 347.430 3.811 20 0 EHADRM CC1(C)CC(C(=O)Nc2nc(CCC(=O)[O-])cs2)CC(C)(C)C1 ZINC001593848126 996617908 /nfs/dbraw/zinc/61/79/08/996617908.db2.gz JNGZMBGOYJPRFV-UHFFFAOYSA-N -1 0 338.473 3.951 20 0 EHADRM CC1(C)CC(CNC(=O)Cc2cccc(C(=O)[O-])c2)CC(C)(C)C1 ZINC001593853717 996632932 /nfs/dbraw/zinc/63/29/32/996632932.db2.gz ONBWXSOGFQVDNH-UHFFFAOYSA-N -1 0 331.456 3.896 20 0 EHADRM CC1(C)C[C@@]1(C(=O)N1CCc2cc(C(=O)[O-])ccc2C1)c1ccccc1 ZINC001593864316 996665449 /nfs/dbraw/zinc/66/54/49/996665449.db2.gz RXSOUQARBHIQSS-QFIPXVFZSA-N -1 0 349.430 3.637 20 0 EHADRM CC1(C)CC[C@H](CC(=O)Nc2cc(F)cc(Cl)c2C(=O)[O-])OC1 ZINC001593876357 996697228 /nfs/dbraw/zinc/69/72/28/996697228.db2.gz MPAZUHGJLWEYBH-SNVBAGLBSA-N -1 0 343.782 3.711 20 0 EHADRM CC1(C)CCC(CNC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)CC1 ZINC001593878147 996702838 /nfs/dbraw/zinc/70/28/38/996702838.db2.gz MJQAHHSGLQQEES-OXJNMPFZSA-N -1 0 329.440 3.578 20 0 EHADRM CC1(C)CC[C@H](NC(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC001593881579 996711771 /nfs/dbraw/zinc/71/17/71/996711771.db2.gz CNFNSIHUMMDCEU-AWEZNQCLSA-N -1 0 345.443 3.685 20 0 EHADRM CC1(C)CC[C@@H]1C(=O)N[C@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001593883794 996718553 /nfs/dbraw/zinc/71/85/53/996718553.db2.gz UOGKQGQFAMPEDJ-DJIMGWMZSA-N -1 0 329.440 3.502 20 0 EHADRM CC1(C)CC[C@@H]2C[C@@H](NC(=O)c3c[nH]c(C(=O)[O-])c3)c3cccc1c32 ZINC001593886124 996723709 /nfs/dbraw/zinc/72/37/09/996723709.db2.gz QHXVNLKVUCHOFV-IAQYHMDHSA-N -1 0 338.407 3.743 20 0 EHADRM C[C@]1(c2ccccc2)C[C@H]1C(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001593891726 996737639 /nfs/dbraw/zinc/73/76/39/996737639.db2.gz FPWCPFOPRIEZPS-CWFSZBLJSA-N -1 0 329.440 3.504 20 0 EHADRM CC1(C)CCC[C@](NC(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)(C(=O)[O-])C1 ZINC001593892555 996741973 /nfs/dbraw/zinc/74/19/73/996741973.db2.gz UFJMIAIAJVXLSB-TWOQFEAHSA-N -1 0 347.430 3.859 20 0 EHADRM CC1(C)CCCC[C@H]1CC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC001593904750 996783807 /nfs/dbraw/zinc/78/38/07/996783807.db2.gz JVYMMGSUVKSPGM-MEDUHNTESA-N -1 0 339.382 3.813 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)CCc1ccc(C)cc1C ZINC001599379083 996802809 /nfs/dbraw/zinc/80/28/09/996802809.db2.gz UBLSXJVUECLHBE-UHFFFAOYSA-N -1 0 328.364 3.548 20 0 EHADRM COC[C@@H](NCc1ccc(-c2ccc(C(=O)[O-])cc2)o1)c1ccco1 ZINC001599177137 996869296 /nfs/dbraw/zinc/86/92/96/996869296.db2.gz LAUBXXXBDYDWKK-MRXNPFEDSA-N -1 0 341.363 3.715 20 0 EHADRM CC1(C)CN(C(=O)Nc2cc(C(=O)[O-])ccc2F)c2cc(F)ccc21 ZINC001593933963 996894830 /nfs/dbraw/zinc/89/48/30/996894830.db2.gz FBBCGBNWWVZNSD-UHFFFAOYSA-N -1 0 346.333 3.993 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cc(C(C)C)oc2C)c1F ZINC001599490341 996927893 /nfs/dbraw/zinc/92/78/93/996927893.db2.gz YLKVEPWIXGJAGG-UHFFFAOYSA-N -1 0 335.331 3.810 20 0 EHADRM CC1(C)CN(CCCCC(=O)[O-])c2cc(Br)ccc21 ZINC001593939456 996928643 /nfs/dbraw/zinc/92/86/43/996928643.db2.gz JRCINEOWOXVNAN-UHFFFAOYSA-N -1 0 326.234 3.802 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2coc3cc(F)ccc32)c1 ZINC001599490903 996937304 /nfs/dbraw/zinc/93/73/04/996937304.db2.gz JIIBDYGELGCSFE-UHFFFAOYSA-N -1 0 329.283 3.531 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cscc2C(F)F)c1F ZINC001599491006 996939076 /nfs/dbraw/zinc/93/90/76/996939076.db2.gz WKFVCGHIZIRHOG-UHFFFAOYSA-N -1 0 345.298 3.784 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)/C=C\c2ccc(Cl)cc2)c1 ZINC001599491057 996940093 /nfs/dbraw/zinc/94/00/93/996940093.db2.gz AZCYYAFUQCLCJY-WTKPLQERSA-N -1 0 332.739 3.666 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1cccc(Cl)c1Cl ZINC001599386690 996958281 /nfs/dbraw/zinc/95/82/81/996958281.db2.gz OOSRYEOYGBRVEQ-UHFFFAOYSA-N -1 0 340.162 3.953 20 0 EHADRM COCc1cc(NC(=O)N[C@H](C)c2ccc(C)cc2)cc(C(=O)[O-])c1 ZINC001599285734 996973148 /nfs/dbraw/zinc/97/31/48/996973148.db2.gz JQMVUEKUWGKCKR-CYBMUJFWSA-N -1 0 342.395 3.722 20 0 EHADRM COCc1cc(NC(=O)NC2(C)CCC(C)CC2)cc(C(=O)[O-])c1 ZINC001599285674 996974044 /nfs/dbraw/zinc/97/40/44/996974044.db2.gz IMZAMHHLCYJLOC-UHFFFAOYSA-N -1 0 334.416 3.622 20 0 EHADRM COCc1cc(NC(=O)N2CCC[C@@H](C3CCC3)C2)cc(C(=O)[O-])c1 ZINC001599285923 996977328 /nfs/dbraw/zinc/97/73/28/996977328.db2.gz RZXGFGITXMNVFH-OAHLLOKOSA-N -1 0 346.427 3.575 20 0 EHADRM COCc1cc(NC(=O)N[C@@]2(C)CCCC[C@H]2C)cc(C(=O)[O-])c1 ZINC001599286233 996983303 /nfs/dbraw/zinc/98/33/03/996983303.db2.gz OBTZZJJOMJJIDB-XIKOKIGWSA-N -1 0 334.416 3.622 20 0 EHADRM COc1cc(C)c(NC(=O)c2cc(F)cc(C(=O)[O-])c2)c(C)c1C ZINC001599392781 997068996 /nfs/dbraw/zinc/06/89/96/997068996.db2.gz HOKTWGJDNPWSEP-UHFFFAOYSA-N -1 0 331.343 3.710 20 0 EHADRM CC1(C)COc2ccc(C(=O)Oc3ccc(C(=O)[O-])cc3Cl)cc21 ZINC001593960518 997076511 /nfs/dbraw/zinc/07/65/11/997076511.db2.gz ARHZAWMTROEPGS-UHFFFAOYSA-N -1 0 346.766 3.927 20 0 EHADRM CC1(C)Cc2cc(COC(=O)c3ccc(C(=O)[O-])c(F)c3)ccc2O1 ZINC001593964232 997095272 /nfs/dbraw/zinc/09/52/72/997095272.db2.gz FIGCJXMWFRVJHK-UHFFFAOYSA-N -1 0 344.338 3.594 20 0 EHADRM COc1ccc(C(=O)[O-])cc1CN1CCCSc2ccccc21 ZINC001599500833 997114399 /nfs/dbraw/zinc/11/43/99/997114399.db2.gz YGRHZHKDNKLBKD-UHFFFAOYSA-N -1 0 329.421 3.896 20 0 EHADRM COCc1ccc(NC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC001599294916 997122887 /nfs/dbraw/zinc/12/28/87/997122887.db2.gz QYXYDFWVCJJASI-UHFFFAOYSA-N -1 0 328.368 3.792 20 0 EHADRM COc1ccc(C(=O)[O-])c2c1CN(Cc1cccc(F)c1Cl)CC2 ZINC001599501164 997123936 /nfs/dbraw/zinc/12/39/36/997123936.db2.gz IVCRSCRMQISPGC-UHFFFAOYSA-N -1 0 349.789 3.744 20 0 EHADRM COc1ccc(C(=O)[O-])c2c1CN(Cc1c(C)cccc1Cl)CC2 ZINC001599501656 997133469 /nfs/dbraw/zinc/13/34/69/997133469.db2.gz PVGBEFORSNTJNJ-UHFFFAOYSA-N -1 0 345.826 3.914 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC001599396389 997133834 /nfs/dbraw/zinc/13/38/34/997133834.db2.gz MTMPSDZUDREMKG-MOJJGNAPSA-N -1 0 344.407 3.915 20 0 EHADRM COc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2)cc1C1CC1 ZINC001599503386 997167418 /nfs/dbraw/zinc/16/74/18/997167418.db2.gz LKYUWBUIAMDMDC-QGZVFWFLSA-N -1 0 326.348 3.555 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1ccc(Cl)cc1C ZINC001599398700 997175518 /nfs/dbraw/zinc/17/55/18/997175518.db2.gz LBUSNXLLFUSONA-YWEYNIOJSA-N -1 0 346.766 3.974 20 0 EHADRM COc1cc(C=CC(=O)[O-])ccc1OCc1ccc(C(C)=O)cc1 ZINC001599399433 997187646 /nfs/dbraw/zinc/18/76/46/997187646.db2.gz LKJXJMYNYCTUGA-POHAHGRESA-N -1 0 326.348 3.575 20 0 EHADRM COc1ccc([C@H](C)COc2cc(/C=C/C(=O)[O-])ccc2OC)cc1 ZINC001599507026 997228074 /nfs/dbraw/zinc/22/80/74/997228074.db2.gz GTQOBPDSQAFLJV-RKXVYHDYSA-N -1 0 342.391 3.984 20 0 EHADRM COc1ccc([C@H](C)OC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1Cl ZINC001599508219 997249526 /nfs/dbraw/zinc/24/95/26/997249526.db2.gz MEDZFKXGEJXFHM-SRVKXCTJSA-N -1 0 340.803 3.844 20 0 EHADRM COCc1nc(NC(=O)C(CC(C)C)CC(C)C)sc1C(=O)[O-] ZINC001599302033 997249805 /nfs/dbraw/zinc/24/98/05/997249805.db2.gz WQXDXMNMRRZDJM-UHFFFAOYSA-N -1 0 342.461 3.635 20 0 EHADRM C[C@]1(CC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CC1(Cl)Cl ZINC001593997954 997320238 /nfs/dbraw/zinc/32/02/38/997320238.db2.gz GLQUBNZDAUCPQS-LBPRGKRZSA-N -1 0 336.602 3.951 20 0 EHADRM CC1(CC(=O)N[C@H](Cc2cc3ccccc3o2)C(=O)[O-])CCCC1 ZINC001593998272 997323628 /nfs/dbraw/zinc/32/36/28/997323628.db2.gz VUOCBWICPMKXMX-OAHLLOKOSA-N -1 0 329.396 3.515 20 0 EHADRM CC1(CCC(=O)N(CC(=O)[O-])Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001593999283 997346347 /nfs/dbraw/zinc/34/63/47/997346347.db2.gz ILCSRMVPQZMTIM-UHFFFAOYSA-N -1 0 343.345 3.699 20 0 EHADRM C[C@@]1(CCc2ccccc2)CCN(C(=O)c2ccccc2C(=O)[O-])C1 ZINC001594009655 997440729 /nfs/dbraw/zinc/44/07/29/997440729.db2.gz FITXGVSKUZHDJC-OAQYLSRUSA-N -1 0 337.419 3.870 20 0 EHADRM COc1ccc([C@H](NC(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)C(=O)[O-])cc1 ZINC001599520895 997478059 /nfs/dbraw/zinc/47/80/59/997478059.db2.gz VKERWMCXUBIUBE-IYOUNJFTSA-N -1 0 347.455 3.790 20 0 EHADRM COc1cc(CNc2cc(Cl)nc(C3CCC3)n2)ccc1C(=O)[O-] ZINC001599419098 997563676 /nfs/dbraw/zinc/56/36/76/997563676.db2.gz ULDWNFAQOXJUPF-UHFFFAOYSA-N -1 0 347.802 3.716 20 0 EHADRM COc1cc(Cl)cc(C(=O)N(CCC(=O)[O-])c2ccccc2C)c1 ZINC001599419887 997575303 /nfs/dbraw/zinc/57/53/03/997575303.db2.gz QDSYLIVGXBZDJR-UHFFFAOYSA-N -1 0 347.798 3.779 20 0 EHADRM CO[C@H]1CCC[C@@H](CC(=O)Nc2c(C)sc(C)c2C(=O)[O-])C1 ZINC001599112240 997589603 /nfs/dbraw/zinc/58/96/03/997589603.db2.gz LMBPZIVRFFDTAT-NEPJUHHUSA-N -1 0 325.430 3.597 20 0 EHADRM COc1cc(Cl)cc(C(=O)Oc2cc(C(=O)[O-])cc(F)c2C)c1 ZINC001599421072 997596039 /nfs/dbraw/zinc/59/60/39/997596039.db2.gz ZRVQXVLAOQESNH-UHFFFAOYSA-N -1 0 338.718 3.714 20 0 EHADRM COc1cc(Cl)ccc1[C@H](C)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001599421479 997603189 /nfs/dbraw/zinc/60/31/89/997603189.db2.gz SZMDRMCQVIJQQR-IUCAKERBSA-N -1 0 340.832 3.915 20 0 EHADRM CO[C@H]1CCC[C@H](CC(=O)Nc2cc(F)cc(Cl)c2C(=O)[O-])C1 ZINC001599113350 997608959 /nfs/dbraw/zinc/60/89/59/997608959.db2.gz RSUDQHVZCVWWGP-ONGXEEELSA-N -1 0 343.782 3.711 20 0 EHADRM CO[C@H]1CCC[C@@H]1CNC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001599115882 997651413 /nfs/dbraw/zinc/65/14/13/997651413.db2.gz VWOCUJPHGXOHIX-MFKMUULPSA-N -1 0 348.424 3.536 20 0 EHADRM C[C@@]1(Cc2ccc(F)cc2)CCCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC001594041648 997665054 /nfs/dbraw/zinc/66/50/54/997665054.db2.gz QBQDWJDMLRDIMZ-SFHVURJKSA-N -1 0 347.411 3.823 20 0 EHADRM C[C@]1(Cc2ccccc2)CCCN1C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001594041678 997666677 /nfs/dbraw/zinc/66/66/77/997666677.db2.gz QRRUHIGHGFXVDS-OAQYLSRUSA-N -1 0 337.419 3.551 20 0 EHADRM COc1ccc([C@@H](NCc2sccc2Cl)C(=O)[O-])cc1Cl ZINC001599531825 997668832 /nfs/dbraw/zinc/66/88/32/997668832.db2.gz SLGXUULOTBWWJC-CYBMUJFWSA-N -1 0 346.235 3.979 20 0 EHADRM COc1cc(F)c(F)cc1NCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001599426450 997684947 /nfs/dbraw/zinc/68/49/47/997684947.db2.gz WXIPPPGGNJRKAX-UHFFFAOYSA-N -1 0 327.714 3.937 20 0 EHADRM C[C@]1(Cc2noc([C@@H]3CCC[C@H](C(=O)[O-])C3)n2)CC1(Cl)Cl ZINC001594044071 997685676 /nfs/dbraw/zinc/68/56/76/997685676.db2.gz WVEUSTAJGWPFAV-ZDMBXUJBSA-N -1 0 333.215 3.554 20 0 EHADRM CO[C@@H]1CCN(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)[C@H](C)C1 ZINC001599118031 997688367 /nfs/dbraw/zinc/68/83/67/997688367.db2.gz SPOBALHHBYBWBD-ZWNOBZJWSA-N -1 0 348.424 3.631 20 0 EHADRM COc1ccc([C@H](Nc2ccc(C(=O)[O-])c(OC)n2)C(C)C)cc1 ZINC001599533070 997693770 /nfs/dbraw/zinc/69/37/70/997693770.db2.gz YLTZRSWHRAAHBC-MRXNPFEDSA-N -1 0 330.384 3.606 20 0 EHADRM COc1c(C)cc(C(=O)Nc2c(C)sc(C)c2C(=O)[O-])cc1C ZINC001599331633 997758832 /nfs/dbraw/zinc/75/88/32/997758832.db2.gz QCPACISKVHKUJU-UHFFFAOYSA-N -1 0 333.409 3.941 20 0 EHADRM COc1c(C)ccc(N[C@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)c1C ZINC001599332449 997771026 /nfs/dbraw/zinc/77/10/26/997771026.db2.gz AYMAQBPQGLLWJJ-CYBMUJFWSA-N -1 0 344.411 3.638 20 0 EHADRM CO[C@@H]1CCN(Cc2sc3ccccc3c2Cl)[C@@H](C(=O)[O-])C1 ZINC001599123750 997794412 /nfs/dbraw/zinc/79/44/12/997794412.db2.gz MARRXOMJKXTMDE-ZYHUDNBSSA-N -1 0 339.844 3.619 20 0 EHADRM COC(=O)c1cc(CSCc2ccccc2C(=O)[O-])ccc1C ZINC001598934490 997837982 /nfs/dbraw/zinc/83/79/82/997837982.db2.gz MSLZEMCVVOSVRP-UHFFFAOYSA-N -1 0 330.405 3.913 20 0 EHADRM COc1c(NC(=O)[C@H](C)Cc2ccccc2Cl)cccc1C(=O)[O-] ZINC001599336376 997844325 /nfs/dbraw/zinc/84/43/25/997844325.db2.gz GQLXCVVDCTXHJT-LLVKDONJSA-N -1 0 347.798 3.864 20 0 EHADRM COc1c(NC(=O)N(C)Cc2ccc(C)c(C)c2)cccc1C(=O)[O-] ZINC001599338271 997876178 /nfs/dbraw/zinc/87/61/78/997876178.db2.gz JFZVFXZCJCSSNP-UHFFFAOYSA-N -1 0 342.395 3.674 20 0 EHADRM COc1c(NC(=O)Cc2coc3cc(C)ccc23)cccc1C(=O)[O-] ZINC001599338303 997877532 /nfs/dbraw/zinc/87/75/32/997877532.db2.gz KJKHSVJVHPFHEL-UHFFFAOYSA-N -1 0 339.347 3.629 20 0 EHADRM COC(=O)c1cc(F)ccc1CSCc1ccccc1C(=O)[O-] ZINC001598937395 997895790 /nfs/dbraw/zinc/89/57/90/997895790.db2.gz GBPYYFXOXALDPC-UHFFFAOYSA-N -1 0 334.368 3.744 20 0 EHADRM COc1cc(NC(=O)NCCCC2CCCCC2)ccc1C(=O)[O-] ZINC001599439163 997903178 /nfs/dbraw/zinc/90/31/78/997903178.db2.gz DZTFGCPTFKLEPT-UHFFFAOYSA-N -1 0 334.416 3.875 20 0 EHADRM COc1c(NC(=O)N2CCCCc3ccccc32)cccc1C(=O)[O-] ZINC001599340197 997909613 /nfs/dbraw/zinc/90/96/13/997909613.db2.gz PJZJHEYZLNKEJA-UHFFFAOYSA-N -1 0 340.379 3.768 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)[C@@H]1CCCCC1(C)C ZINC001599545304 997912336 /nfs/dbraw/zinc/91/23/36/997912336.db2.gz XSEYQYOOJNHVPZ-PLWJUESGSA-N -1 0 332.396 3.915 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)c1ccc(C)c(Cl)c1 ZINC001599547776 997953382 /nfs/dbraw/zinc/95/33/82/997953382.db2.gz XXUWYWGOPXMNGI-YVMONPNESA-N -1 0 346.766 3.974 20 0 EHADRM COc1c(NC(=O)c2cccc(C(F)F)c2F)cccc1C(=O)[O-] ZINC001599343005 997953748 /nfs/dbraw/zinc/95/37/48/997953748.db2.gz XZCFLLYZXRWYNW-UHFFFAOYSA-N -1 0 339.269 3.722 20 0 EHADRM COc1c(NCC(=O)Nc2ccccc2C(C)C)cccc1C(=O)[O-] ZINC001599343483 997960210 /nfs/dbraw/zinc/96/02/10/997960210.db2.gz PGZVOIMERRVQHY-UHFFFAOYSA-N -1 0 342.395 3.567 20 0 EHADRM COc1cc(NCc2[nH]cc(C(=O)[O-])c2C2CC2)cc(OC)c1C ZINC001599444195 997980565 /nfs/dbraw/zinc/98/05/65/997980565.db2.gz MIYQQGWUPZFSRX-UHFFFAOYSA-N -1 0 330.384 3.528 20 0 EHADRM COc1cc(NCc2c(Cl)cccc2N(C)C)ccc1C(=O)[O-] ZINC001599444289 997981868 /nfs/dbraw/zinc/98/18/68/997981868.db2.gz QJTNFPCSGQBPPY-UHFFFAOYSA-N -1 0 334.803 3.725 20 0 EHADRM CC1(c2ccccc2C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)CC1 ZINC001594082076 997987506 /nfs/dbraw/zinc/98/75/06/997987506.db2.gz XDDMPDJRXRLTTE-AEFFLSMTSA-N -1 0 335.403 3.781 20 0 EHADRM COc1c(OC(=O)c2c(C)coc2CC(=O)[O-])ccc2ccccc21 ZINC001599345635 998000389 /nfs/dbraw/zinc/00/03/89/998000389.db2.gz YDORXPXHLBSBOL-UHFFFAOYSA-N -1 0 340.331 3.596 20 0 EHADRM COc1ccc(C[C@@H](C)Nc2cccc(C(=O)[O-])c2)c(C)c1OC ZINC001599551159 998009365 /nfs/dbraw/zinc/00/93/65/998009365.db2.gz OEGNJPOVBFMDAB-GFCCVEGCSA-N -1 0 329.396 3.754 20 0 EHADRM COc1ccc(CCC(=O)Oc2ccc(CC(=O)[O-])cc2)cc1Cl ZINC001599552585 998034825 /nfs/dbraw/zinc/03/48/25/998034825.db2.gz OOKLFHVFNDMCQJ-UHFFFAOYSA-N -1 0 348.782 3.514 20 0 EHADRM CCCOc1ccc(S(=O)(=O)[N-]c2nc(C3CC3)cs2)cc1 ZINC000340048065 1016177605 /nfs/dbraw/zinc/17/76/05/1016177605.db2.gz UGMOXBOLFYLWBX-UHFFFAOYSA-N -1 0 338.454 3.610 20 0 EHADRM CO[C@@H]1Cc2ccc(N[C@@H]3CCCc4ccc(C(=O)[O-])cc43)cc2C1 ZINC001599139034 998094260 /nfs/dbraw/zinc/09/42/60/998094260.db2.gz RHEAFZBCDRFIHO-UYAOXDASSA-N -1 0 337.419 3.988 20 0 EHADRM COc1cc(OC)cc([C@H](Sc2ncc(C)cc2C)C(=O)[O-])c1 ZINC001599451381 998108690 /nfs/dbraw/zinc/10/86/90/998108690.db2.gz DDYNMQHSBQFRLI-HNNXBMFYSA-N -1 0 333.409 3.634 20 0 EHADRM COC(=O)c1cc(OC(=O)C(C)(C)CC(C)(C)C)cc(C(=O)[O-])c1 ZINC001598950404 998140104 /nfs/dbraw/zinc/14/01/04/998140104.db2.gz WOTYOMOQQLZGME-UHFFFAOYSA-N -1 0 336.384 3.539 20 0 EHADRM COC(=O)c1cc(OC(=O)[C@@]2(C)CCC(C)=C(C)C2)cc(C(=O)[O-])c1 ZINC001598950495 998141637 /nfs/dbraw/zinc/14/16/37/998141637.db2.gz ZZHAQYSFODGDTL-IBGZPJMESA-N -1 0 346.379 3.603 20 0 EHADRM CC1=CCCN(C(=O)Nc2cc(-c3ccncc3)sc2C(=O)[O-])C1 ZINC001594113962 998231978 /nfs/dbraw/zinc/23/19/78/998231978.db2.gz WBCUDGSWCKFZKB-UHFFFAOYSA-N -1 0 343.408 3.692 20 0 EHADRM CC1=CC[C@@](C)(C(=O)NCCc2cc3ccc(C(=O)[O-])cc3o2)CC1 ZINC001594113931 998232153 /nfs/dbraw/zinc/23/21/53/998232153.db2.gz ULVOWBGUJPCWRX-HXUWFJFHSA-N -1 0 341.407 3.926 20 0 EHADRM COCCOCc1ccc(N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC001599252161 998250438 /nfs/dbraw/zinc/25/04/38/998250438.db2.gz CDUKPRVPGJLVLK-QGZVFWFLSA-N -1 0 349.814 3.741 20 0 EHADRM COc1cc(SC)ccc1NC(=O)NCCCCCCC(=O)[O-] ZINC001599461282 998276962 /nfs/dbraw/zinc/27/69/62/998276962.db2.gz OLZKIOPUGAZGGF-UHFFFAOYSA-N -1 0 340.445 3.574 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC2CC(c3ccccc3)C2)c1OC ZINC001599362230 998280410 /nfs/dbraw/zinc/28/04/10/998280410.db2.gz NIGGDIAKECVELT-UHFFFAOYSA-N -1 0 327.380 3.760 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N(C)CCC1CCCCC1 ZINC001599371208 998413523 /nfs/dbraw/zinc/41/35/23/998413523.db2.gz QNWIBPMFWCGTPL-UHFFFAOYSA-N -1 0 334.416 3.828 20 0 EHADRM COc1ccc(CNc2cc(C(=O)[O-])cc3cccnc32)cc1OC ZINC001599574145 998414369 /nfs/dbraw/zinc/41/43/69/998414369.db2.gz YWNIVTMYUKERNG-UHFFFAOYSA-N -1 0 338.363 3.562 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N(C)c1cccc(SC)c1 ZINC001599371545 998417981 /nfs/dbraw/zinc/41/79/81/998417981.db2.gz UVHYIMFURKETRZ-UHFFFAOYSA-N -1 0 346.408 3.784 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N1CCCC12CCCCC2 ZINC001599372001 998424795 /nfs/dbraw/zinc/42/47/95/998424795.db2.gz XPLFWIPPNYBGSY-UHFFFAOYSA-N -1 0 332.400 3.724 20 0 EHADRM COCCc1ccc(Oc2ccc(N[C@@H](C(=O)[O-])C3CC3)cc2)cc1 ZINC001599263403 998426155 /nfs/dbraw/zinc/42/61/55/998426155.db2.gz GJVFPGYCGSZHBS-LJQANCHMSA-N -1 0 341.407 3.943 20 0 EHADRM COCCSc1ccc([C@H](C)Nc2cc(C(=O)[O-])ccn2)cc1 ZINC001599266688 998480818 /nfs/dbraw/zinc/48/08/18/998480818.db2.gz WVTFTTPFWJVEOR-LBPRGKRZSA-N -1 0 332.425 3.691 20 0 EHADRM COC[C@H](CC(C)(C)C)Nc1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001599162594 998484339 /nfs/dbraw/zinc/48/43/39/998484339.db2.gz CAGQUFYFTLAJNB-VIFPVBQESA-N -1 0 334.338 3.662 20 0 EHADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)Nc1nc(C2CCCCC2)cs1 ZINC001594155737 998563660 /nfs/dbraw/zinc/56/36/60/998563660.db2.gz FFSQHHLEELRGCS-JQWIXIFHSA-N -1 0 337.445 3.518 20 0 EHADRM C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)[C@@H]1CCCC[C@H]1c1cccc(Cl)c1 ZINC001594157784 998579267 /nfs/dbraw/zinc/57/92/67/998579267.db2.gz XPPKFPPCFQAUBG-OSMBCOQSSA-N -1 0 349.858 3.935 20 0 EHADRM C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1Cl ZINC001594195659 998758490 /nfs/dbraw/zinc/75/84/90/998758490.db2.gz ASBPDVIHKFAXMA-CBAPKCEASA-N -1 0 344.194 3.635 20 0 EHADRM COC(=O)c1cccc([C@H](Nc2ccc(C)c(Cl)c2)C(=O)[O-])c1 ZINC001598996832 998787696 /nfs/dbraw/zinc/78/76/96/998787696.db2.gz VPVPRAJHGFEXJG-HNNXBMFYSA-N -1 0 333.771 3.673 20 0 EHADRM COC(=O)c1cccc([C@H](Nc2cccc(C(C)C)c2)C(=O)[O-])c1 ZINC001598997315 998791760 /nfs/dbraw/zinc/79/17/60/998791760.db2.gz YWCMJJBDUAVQMT-KRWDZBQOSA-N -1 0 327.380 3.834 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1C(=O)c1ccnc2cc(Cl)ccc21 ZINC001594207618 998800765 /nfs/dbraw/zinc/80/07/65/998800765.db2.gz HDKUQRAEQPGGPT-ZSBIGDGJSA-N -1 0 346.814 3.602 20 0 EHADRM C[C@@H]1C[C@@H](CC(=O)N(CCC(F)(F)F)CC(=O)[O-])CC(C)(C)C1 ZINC001594231480 998879722 /nfs/dbraw/zinc/87/97/22/998879722.db2.gz BUQQCLOAOIXRPW-NEPJUHHUSA-N -1 0 337.382 3.705 20 0 EHADRM C[C@H]1C[C@@H](CCNC(=O)Nc2cccc(C(=O)[O-])n2)CC(C)(C)C1 ZINC001594232677 998887281 /nfs/dbraw/zinc/88/72/81/998887281.db2.gz PINHBFBZMNAHBD-QWHCGFSZSA-N -1 0 333.432 3.754 20 0 EHADRM COC(=O)c1oc2ccccc2c1CSc1ncccc1C(=O)[O-] ZINC001599020038 998971373 /nfs/dbraw/zinc/97/13/73/998971373.db2.gz XXIFXMJXBWNREZ-UHFFFAOYSA-N -1 0 343.360 3.605 20 0 EHADRM C[C@H]1C[C@@H](NC(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)CCS1 ZINC001594258469 998995815 /nfs/dbraw/zinc/99/58/15/998995815.db2.gz UNGJCEYCZFFEIC-YUMQZZPRSA-N -1 0 346.811 3.583 20 0 EHADRM O=C([O-])C1CC(C(=O)Nc2ccccc2Nc2c(F)cccc2F)C1 ZINC000683341391 1016270876 /nfs/dbraw/zinc/27/08/76/1016270876.db2.gz NDOMKBUCNXMTRZ-UHFFFAOYSA-N -1 0 346.333 3.758 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2ccc(C(=O)[O-])nc2)C1 ZINC001594270606 999046005 /nfs/dbraw/zinc/04/60/05/999046005.db2.gz XETGSCVJBKDQQR-MEDUHNTESA-N -1 0 343.358 3.534 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC001594270674 999046478 /nfs/dbraw/zinc/04/64/78/999046478.db2.gz YOTCHROCNJZENR-SJKOYZFVSA-N -1 0 327.355 3.747 20 0 EHADRM C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)C1 ZINC001594272490 999054616 /nfs/dbraw/zinc/05/46/16/999054616.db2.gz QKXXHODVNXLGAC-BZNIZROVSA-N -1 0 343.358 3.534 20 0 EHADRM CO[C@H](C)C(=O)Nc1cc(-c2ccccc2Cl)sc1C(=O)[O-] ZINC001599036287 999085564 /nfs/dbraw/zinc/08/55/64/999085564.db2.gz MPRQTWRFTYILFM-MRVPVSSYSA-N -1 0 339.800 3.740 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@H]2N1c1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001594292384 999127783 /nfs/dbraw/zinc/12/77/83/999127783.db2.gz JTQVKSSASPRXTJ-GBIKHYSHSA-N -1 0 328.334 3.956 20 0 EHADRM CO[C@@H](C)c1nc(CN[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])cs1 ZINC001599043508 999134322 /nfs/dbraw/zinc/13/43/22/999134322.db2.gz VQJJVKBJLMRIPU-WFASDCNBSA-N -1 0 348.468 3.792 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C[C@H]1C ZINC001594296556 999142792 /nfs/dbraw/zinc/14/27/92/999142792.db2.gz OEZJEKHPTWECER-GMTAPVOTSA-N -1 0 341.354 3.997 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001594298623 999151130 /nfs/dbraw/zinc/15/11/30/999151130.db2.gz IXMNQTUBPDJHKY-XOKHGSTOSA-N -1 0 333.428 3.801 20 0 EHADRM C[C@H]1CC[C@H](CC(=O)Nc2ccc(Br)c(C(=O)[O-])c2)C1 ZINC001594303149 999172863 /nfs/dbraw/zinc/17/28/63/999172863.db2.gz VDHPRWWIDFSBMB-UWVGGRQHSA-N -1 0 340.217 3.912 20 0 EHADRM C[C@@H]1CC[C@@](NC(=O)c2cc3ccccn3c2)(C(=O)[O-])c2ccccc21 ZINC001594323810 999248188 /nfs/dbraw/zinc/24/81/88/999248188.db2.gz UPSKJHRLCWZEIL-SZNDQCEHSA-N -1 0 348.402 3.547 20 0 EHADRM C[C@@H]1CCC[C@H](OCC(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)C1 ZINC001594354911 999339894 /nfs/dbraw/zinc/33/98/94/999339894.db2.gz GFQPVVDSZPWSKX-KOLCDFICSA-N -1 0 343.782 3.711 20 0 EHADRM C[C@@H]1CCC[C@@H]1CC(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC001594360489 999363180 /nfs/dbraw/zinc/36/31/80/999363180.db2.gz VUWCZKWFUKDOHG-NXEZZACHSA-N -1 0 333.413 3.601 20 0 EHADRM C[C@@H]1CCCC[C@H]1CC(=O)Nc1cc(C(F)(F)F)cnc1C(=O)[O-] ZINC001594363269 999371417 /nfs/dbraw/zinc/37/14/17/999371417.db2.gz BUVONSKKXALCBF-ZJUUUORDSA-N -1 0 344.333 3.954 20 0 EHADRM C[C@@H]1CCCC[C@H]1CC(=O)Nc1cccnc1SCCC(=O)[O-] ZINC001594363452 999371667 /nfs/dbraw/zinc/37/16/67/999371667.db2.gz DICXRDXJEJICDV-OLZOCXBDSA-N -1 0 336.457 3.803 20 0 EHADRM C[C@H]1CCCN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)c2ccccc21 ZINC001594379334 999430958 /nfs/dbraw/zinc/43/09/58/999430958.db2.gz RTERKQKPFBNOMY-STRFDMGBSA-N -1 0 325.364 3.922 20 0 EHADRM C[C@@H](C(=O)N1CC[C@@H](C)C[C@@H]1C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001594394699 999487166 /nfs/dbraw/zinc/48/71/66/999487166.db2.gz LVGQJRNROHWEEX-GPCCPHFNSA-N -1 0 344.238 3.809 20 0 EHADRM C[C@@H]1CCN(C(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c2ccccc21 ZINC001594395352 999489431 /nfs/dbraw/zinc/48/94/31/999489431.db2.gz OXHZIZAHPUDYIR-ZVGUJKQYSA-N -1 0 335.403 3.785 20 0 EHADRM C[C@H]1CCN(C(=O)CSc2ccc3ccccc3c2)[C@H](C(=O)[O-])C1 ZINC001594401110 999501624 /nfs/dbraw/zinc/50/16/24/999501624.db2.gz SRSMQVJHJXRULL-GUYCJALGSA-N -1 0 343.448 3.644 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)[C@@H](C(=O)[O-])C1 ZINC001594410119 999530311 /nfs/dbraw/zinc/53/03/11/999530311.db2.gz JVRBRTYMJNRCCL-SMDDNHRTSA-N -1 0 347.411 3.880 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)[C@H](C(=O)[O-])C1 ZINC001594410437 999531648 /nfs/dbraw/zinc/53/16/48/999531648.db2.gz PQGUGCNZQBXUTP-UFBFGSQYSA-N -1 0 349.736 3.684 20 0 EHADRM C[C@@H]1CCN(Cc2nc3cc(C(=O)[O-])ccc3[nH]2)[C@H](c2ccco2)C1 ZINC001594427831 999599269 /nfs/dbraw/zinc/59/92/69/999599269.db2.gz YAFFXNBHAUQHSE-WBMJQRKESA-N -1 0 339.395 3.827 20 0 EHADRM C[C@@H]1CCc2nc(CN3CCc4c(cccc4C(=O)[O-])C3)sc2C1 ZINC001594450509 999647507 /nfs/dbraw/zinc/64/75/07/999647507.db2.gz GZDLUXLMAZWIJU-GFCCVEGCSA-N -1 0 342.464 3.524 20 0 EHADRM CC(=O)Nc1ccc(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])cc1 ZINC000236593790 1016422666 /nfs/dbraw/zinc/42/26/66/1016422666.db2.gz OKJWRSPHILLCPR-UHFFFAOYSA-N -1 0 348.358 3.749 20 0 EHADRM Cc1cccc(C)c1[C@H](C)NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000544875735 1016555231 /nfs/dbraw/zinc/55/52/31/1016555231.db2.gz MDPBPIRAVDPFBU-KKSFZXQISA-N -1 0 339.435 3.913 20 0 EHADRM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cc(-c2ccccc2)on1 ZINC000430384097 1016583935 /nfs/dbraw/zinc/58/39/35/1016583935.db2.gz DXGWFPWNTJDJFE-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM O=C([O-])C1(CNC(=O)N2CCCCC[C@@H]2c2ccccc2)CCC1 ZINC000659421873 1016679496 /nfs/dbraw/zinc/67/94/96/1016679496.db2.gz SHCVIXPUDSLMQP-MRXNPFEDSA-N -1 0 330.428 3.568 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CCC[C@@H](F)C1)c1ccc(Cl)c(F)c1 ZINC000425247456 1016740356 /nfs/dbraw/zinc/74/03/56/1016740356.db2.gz YIDDZUDUHSGPAD-GYSYKLTISA-N -1 0 345.773 3.639 20 0 EHADRM CC(C)c1ccc(CNC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000326772796 1016744793 /nfs/dbraw/zinc/74/47/93/1016744793.db2.gz LKECQGQDLAITRI-OAQYLSRUSA-N -1 0 339.435 3.859 20 0 EHADRM Cc1cc(Br)c(O)c(NC(=O)[C@@H](C)c2cccnc2)c1 ZINC000182917865 1032149881 /nfs/dbraw/zinc/14/98/81/1032149881.db2.gz HEOHQIIIEASXOC-JTQLQIEISA-N -1 0 335.201 3.600 20 0 EHADRM Cc1ccc(C)c(OC2CCN(C(=O)c3ccc(F)cc3[O-])CC2)c1 ZINC000179001666 1016835200 /nfs/dbraw/zinc/83/52/00/1016835200.db2.gz CMKGJOXEIFZMDK-UHFFFAOYSA-N -1 0 343.398 3.832 20 0 EHADRM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2cc(F)c([O-])c(F)c2)C1 ZINC000180042208 1016884779 /nfs/dbraw/zinc/88/47/79/1016884779.db2.gz VZYUCDWMHGAZHJ-JSGCOSHPSA-N -1 0 331.362 3.997 20 0 EHADRM CCN(CCC(F)(F)F)C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000654660367 1016910026 /nfs/dbraw/zinc/91/00/26/1016910026.db2.gz XPECJRSSVLENRZ-UHFFFAOYSA-N -1 0 329.240 3.826 20 0 EHADRM CCN(C(=O)c1cc(C)c(-c2ccc(F)cc2)s1)[C@@H](C)C(=O)[O-] ZINC000659771010 1016993456 /nfs/dbraw/zinc/99/34/56/1016993456.db2.gz JTJWBVLAYSOTGR-NSHDSACASA-N -1 0 335.400 3.798 20 0 EHADRM CCN(C(=O)c1ccc(SCc2ccccc2)cc1)[C@@H](C)C(=O)[O-] ZINC000659777581 1017008854 /nfs/dbraw/zinc/00/88/54/1017008854.db2.gz WQCBPCVKXGMYCA-AWEZNQCLSA-N -1 0 343.448 3.914 20 0 EHADRM CN(CC(C)(C)C)C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000050208997 1017010298 /nfs/dbraw/zinc/01/02/98/1017010298.db2.gz HHKCIGYGGZMUND-UHFFFAOYSA-N -1 0 343.221 3.657 20 0 EHADRM CCN(C(=O)c1csc(-c2ccc(C(C)C)cc2)n1)[C@@H](C)C(=O)[O-] ZINC000659776192 1017010659 /nfs/dbraw/zinc/01/06/59/1017010659.db2.gz OUCHVGCSEWCDIN-LBPRGKRZSA-N -1 0 346.452 3.869 20 0 EHADRM Cc1occc1CN(C)[C@H](C(=O)[O-])c1ccccc1Br ZINC000659786786 1017020504 /nfs/dbraw/zinc/02/05/04/1017020504.db2.gz GMOMWSFTFGXGRP-AWEZNQCLSA-N -1 0 338.201 3.608 20 0 EHADRM CC[C@H](C)Oc1cc(CNC(=O)c2ccc([O-])c(Cl)c2)ccn1 ZINC000181921573 1017026680 /nfs/dbraw/zinc/02/66/80/1017026680.db2.gz LJPMQORAAVGWOX-NSHDSACASA-N -1 0 334.803 3.548 20 0 EHADRM O=C(Nc1ccnn1Cc1ccc(Cl)cc1)c1ccc(O)cc1F ZINC000181942715 1017034777 /nfs/dbraw/zinc/03/47/77/1017034777.db2.gz YEKQMPYIKQMQKB-UHFFFAOYSA-N -1 0 345.761 3.682 20 0 EHADRM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)N2CC[C@@H](C)[C@H](C)C2)s1 ZINC000471319387 1017042844 /nfs/dbraw/zinc/04/28/44/1017042844.db2.gz FVTFKWFXGBOUGE-ZYHUDNBSSA-N -1 0 348.447 3.584 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N=c2[n-]nc(CC(F)(F)F)s2)cc1 ZINC000484960121 1032170759 /nfs/dbraw/zinc/17/07/59/1032170759.db2.gz PLBMUDIOMVWMLC-UHFFFAOYSA-N -1 0 343.374 3.615 20 0 EHADRM Cc1cccc2cc(C(=O)N3[C@H](C(=O)[O-])C[C@H]4CCCC[C@@H]43)oc21 ZINC000262379634 1032173881 /nfs/dbraw/zinc/17/38/81/1032173881.db2.gz LGWMRABJISXNIS-SNPRPXQTSA-N -1 0 327.380 3.599 20 0 EHADRM CC(C)(C)n1cc([N-]S(=O)(=O)c2csc3ccccc32)cn1 ZINC000349946848 1032190969 /nfs/dbraw/zinc/19/09/69/1032190969.db2.gz VLFKKPUVOCEMSJ-UHFFFAOYSA-N -1 0 335.454 3.654 20 0 EHADRM Cc1sc(-c2cnn([C@@H](C)CC(=O)[O-])c2)cc1Br ZINC000901080097 1121729777 /nfs/dbraw/zinc/72/97/77/1121729777.db2.gz MZLDQYTZYCPHMB-ZETCQYMHSA-N -1 0 329.219 3.718 20 0 EHADRM CC(C)C[C@H](NC(=O)N(C)CCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000414626938 1017077849 /nfs/dbraw/zinc/07/78/49/1017077849.db2.gz LEYDSTTVHUVHIF-HNNXBMFYSA-N -1 0 340.851 3.933 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)NCCCCCC(=O)[O-] ZINC000414627258 1017078650 /nfs/dbraw/zinc/07/86/50/1017078650.db2.gz MQNRXHJCCGFNGA-DOTOQJQBSA-N -1 0 332.444 3.609 20 0 EHADRM CCn1nc([N-]S(=O)(=O)c2cccc(C)c2Cl)cc1C1CC1 ZINC000538299188 1032279066 /nfs/dbraw/zinc/27/90/66/1032279066.db2.gz VPKAZISRNTWUHK-UHFFFAOYSA-N -1 0 339.848 3.543 20 0 EHADRM COc1ccc(F)cc1CN=c1[n-]nc(-c2ccc(C)cc2C)o1 ZINC000461209277 1032319841 /nfs/dbraw/zinc/31/98/41/1032319841.db2.gz MNYNNINSEXZJBM-UHFFFAOYSA-N -1 0 327.359 3.535 20 0 EHADRM CC[C@@H](C)n1ncc2c1nc(/C=C/c1oc(C)nc1C)cc2C(=O)[O-] ZINC000905080004 1032332844 /nfs/dbraw/zinc/33/28/44/1032332844.db2.gz FTRAIRXVHKFINV-VQCYPWCPSA-N -1 0 340.383 3.876 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cccc(F)c2)c2ncccc12 ZINC000184925074 1032345722 /nfs/dbraw/zinc/34/57/22/1032345722.db2.gz NCGYFHSGASYBBW-UHFFFAOYSA-N -1 0 346.383 3.573 20 0 EHADRM O=C([O-])c1cc(F)c(F)cc1C(=O)NCCC1(c2ccccc2)CC1 ZINC000905126736 1032355925 /nfs/dbraw/zinc/35/59/25/1032355925.db2.gz JDYDJCMRXBXUHB-UHFFFAOYSA-N -1 0 345.345 3.515 20 0 EHADRM C[C@@H](S[C@H](C)C(=O)Nc1ccccc1COC(C)(C)C)C(=O)[O-] ZINC000905130683 1032358076 /nfs/dbraw/zinc/35/80/76/1032358076.db2.gz ICHLBDBSCQKURP-VXGBXAGGSA-N -1 0 339.457 3.535 20 0 EHADRM Cc1nc(=NC(=O)c2ccc(-c3cccc(C(C)C)c3)o2)s[n-]1 ZINC000538461688 1032374168 /nfs/dbraw/zinc/37/41/68/1032374168.db2.gz USENOORLLMNEHN-UHFFFAOYSA-N -1 0 327.409 3.904 20 0 EHADRM O=S(=O)([N-]c1nc2ccccc2s1)c1cnc2ccsc2c1 ZINC000083954989 1032408142 /nfs/dbraw/zinc/40/81/42/1032408142.db2.gz SSCKFTLVZJTGHK-UHFFFAOYSA-N -1 0 347.446 3.707 20 0 EHADRM Cc1nc2cc([N-]S(=O)(=O)c3cnc4ccsc4c3)ccc2o1 ZINC000083955097 1032408524 /nfs/dbraw/zinc/40/85/24/1032408524.db2.gz UGDFPFXMZXGSPU-UHFFFAOYSA-N -1 0 345.405 3.547 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2N(C)C)sc1C ZINC000536902061 1032415831 /nfs/dbraw/zinc/41/58/31/1032415831.db2.gz YSPOEEXTWCMABK-UHFFFAOYSA-N -1 0 344.889 3.885 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccccc2CCC(F)(F)F)C1 ZINC000263041804 1032417676 /nfs/dbraw/zinc/41/76/76/1032417676.db2.gz QJFGUUSORPXTMC-MRXNPFEDSA-N -1 0 343.345 3.508 20 0 EHADRM O=C([O-])c1ccc(C(=O)N(Cc2ccccc2)C2CCCCC2)nc1 ZINC000237971819 1017318361 /nfs/dbraw/zinc/31/83/61/1017318361.db2.gz ZOCPSKYRKAXLPV-UHFFFAOYSA-N -1 0 338.407 3.755 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-] ZINC000601990362 1032583076 /nfs/dbraw/zinc/58/30/76/1032583076.db2.gz YVOTVSGILCTMCU-SFYZADRCSA-N -1 0 333.862 3.595 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)C(C)(C)C ZINC000646151674 1032585006 /nfs/dbraw/zinc/58/50/06/1032585006.db2.gz KUXYMFXBBRHELD-LZWOXQAQSA-N -1 0 332.444 3.635 20 0 EHADRM CCc1oc2ccccc2c1CN(C)C(=O)[C@@H](C)S[C@@H](C)C(=O)[O-] ZINC000601991970 1032585271 /nfs/dbraw/zinc/58/52/71/1032585271.db2.gz HDZPYLUOQIJBJY-NEPJUHHUSA-N -1 0 349.452 3.548 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2C(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])cc1 ZINC000601994109 1032587628 /nfs/dbraw/zinc/58/76/28/1032587628.db2.gz LMJHMADZJRFCCQ-YCPHGPKFSA-N -1 0 335.469 3.643 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)N1CC(C)(C)C[C@@H]1c1ccccc1)C(=O)[O-] ZINC000602008015 1032591816 /nfs/dbraw/zinc/59/18/16/1032591816.db2.gz OYSDWJJLKCKZDU-KCQAQPDRSA-N -1 0 335.469 3.581 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)N[C@H]1C[C@H]2CCC(C)(C)c3cccc1c32 ZINC000414642282 1017103341 /nfs/dbraw/zinc/10/33/41/1017103341.db2.gz LZRSRLVHOGEDTC-CJNGLKHVSA-N -1 0 344.455 3.793 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000460123427 1032599116 /nfs/dbraw/zinc/59/91/16/1032599116.db2.gz CWXPXHVSQYOSML-NQBHXWOUSA-N -1 0 348.497 3.873 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)sc1C ZINC000091015159 1032615189 /nfs/dbraw/zinc/61/51/89/1032615189.db2.gz PEKJIUOXUZLGPX-UHFFFAOYSA-N -1 0 333.438 3.556 20 0 EHADRM C/C(=C/c1cccc(Cl)c1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000761374740 1032647635 /nfs/dbraw/zinc/64/76/35/1032647635.db2.gz CSVJYVJNOBCMSL-XFXZXTDPSA-N -1 0 329.783 3.758 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)N(C)C[C@@H](C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000414623408 1017073621 /nfs/dbraw/zinc/07/36/21/1017073621.db2.gz HWODSYHTSJYUTQ-YWPYICTPSA-N -1 0 340.851 3.789 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(F)cc2OC(F)F)cc1C(=O)[O-] ZINC000237660763 1017116048 /nfs/dbraw/zinc/11/60/48/1017116048.db2.gz KFYUGMRCYSJFAB-UHFFFAOYSA-N -1 0 339.269 3.686 20 0 EHADRM CC[C@]1(C)CCN(C(=O)N=c2[n-]nc(-c3cc(F)ccc3C)s2)C1 ZINC000471343866 1017134215 /nfs/dbraw/zinc/13/42/15/1017134215.db2.gz RCSPQWCFFFZUMB-QGZVFWFLSA-N -1 0 348.447 3.728 20 0 EHADRM CC[C@@H]1[C@H](C)CCN1C(=O)N=c1[n-]nc(-c2cc(F)ccc2C)s1 ZINC000471353745 1017171677 /nfs/dbraw/zinc/17/16/77/1017171677.db2.gz ODNCNMYDBYTKBY-BXUZGUMPSA-N -1 0 348.447 3.727 20 0 EHADRM Cc1cc(Br)c(O)c(NC(=O)c2cc(C(C)C)[nH]n2)c1 ZINC000182928138 1017217059 /nfs/dbraw/zinc/21/70/59/1017217059.db2.gz QWYVZXKCYCEMON-UHFFFAOYSA-N -1 0 338.205 3.562 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccccc1C(F)(F)F)CC(=O)[O-] ZINC000325074575 1017261682 /nfs/dbraw/zinc/26/16/82/1017261682.db2.gz WWTVDHZSSIIRJI-NSHDSACASA-N -1 0 346.349 3.964 20 0 EHADRM C[S@@](=O)(=NC(=O)c1ccc2oc(=S)[n-]c2c1)C1CCCCC1 ZINC000926032348 1017279822 /nfs/dbraw/zinc/27/98/22/1017279822.db2.gz VOKIEVPFMPYMBS-QFIPXVFZSA-N -1 0 338.454 3.687 20 0 EHADRM O=C(Nc1cc(Br)ccc1F)c1cc(F)c([O-])c(F)c1 ZINC000183453845 1017331531 /nfs/dbraw/zinc/33/15/31/1017331531.db2.gz AYCIMXDRFAVKMT-UHFFFAOYSA-N -1 0 346.102 3.824 20 0 EHADRM O=C(NCCc1cccc2ccccc21)c1cc(F)c([O-])c(F)c1 ZINC000183580304 1017343340 /nfs/dbraw/zinc/34/33/40/1017343340.db2.gz UWDQHLBQUJQDPI-UHFFFAOYSA-N -1 0 327.330 3.796 20 0 EHADRM CC[C@@H](CN(CC)C(=O)c1ccc2oc(=O)nc-2[n-]1)c1ccccc1 ZINC000613641802 1017375147 /nfs/dbraw/zinc/37/51/47/1017375147.db2.gz QMRYUQKSZQSLCR-ZDUSSCGKSA-N -1 0 339.395 3.584 20 0 EHADRM Cc1cccc2[nH]cc(CC(=O)N[C@H](CC(=O)[O-])C3CCCCC3)c21 ZINC000537403672 1032704690 /nfs/dbraw/zinc/70/46/90/1032704690.db2.gz VVMIXMZVYRIJPI-QGZVFWFLSA-N -1 0 342.439 3.559 20 0 EHADRM Cc1nc(NC(=O)c2cc(OCc3ccccc3)ccc2O)oc1C ZINC001167297434 1017552605 /nfs/dbraw/zinc/55/26/05/1017552605.db2.gz UKVDEBWRPSRQCR-UHFFFAOYSA-N -1 0 338.363 3.828 20 0 EHADRM Cc1cccc(CS(=O)(=O)[N-]c2noc3cc(Cl)ccc32)c1 ZINC000574145363 1032710702 /nfs/dbraw/zinc/71/07/02/1032710702.db2.gz AMNZOYMEQRKCKZ-UHFFFAOYSA-N -1 0 336.800 3.732 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)C3CC(c4cccc(F)c4)C3)[nH][n-]2)o1 ZINC000574147036 1032711461 /nfs/dbraw/zinc/71/14/61/1032711461.db2.gz GDCQWHPGSUTQNR-UHFFFAOYSA-N -1 0 339.370 3.671 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)C2CC3(CC3)C2)cc1 ZINC000659128992 1017667015 /nfs/dbraw/zinc/66/70/15/1017667015.db2.gz YVXZJSFXHYWYLP-INIZCTEOSA-N -1 0 329.440 3.806 20 0 EHADRM CCOc1cc(-c2noc([C@@H]3CCCOCC3)n2)cc(Cl)c1O ZINC000377479153 1017869532 /nfs/dbraw/zinc/86/95/32/1017869532.db2.gz OJMTUPDYJJKUCE-SNVBAGLBSA-N -1 0 338.791 3.778 20 0 EHADRM O=C([O-])CN(Cc1nc(-c2c(F)cccc2F)cs1)C1CCC1 ZINC000655933201 1017954735 /nfs/dbraw/zinc/95/47/35/1017954735.db2.gz BYRFKELQHYUEJG-UHFFFAOYSA-N -1 0 338.379 3.527 20 0 EHADRM Cc1cc(Nc2ccnn2Cc2cccc(F)c2)ccc1C(=O)[O-] ZINC001211650066 1017972667 /nfs/dbraw/zinc/97/26/67/1017972667.db2.gz NOOPKTVIXCMWPM-UHFFFAOYSA-N -1 0 325.343 3.821 20 0 EHADRM CCC(C)(C)N(C)C(=O)Nc1cc(OC)c(C(=O)[O-])cc1Cl ZINC000316092660 1018049780 /nfs/dbraw/zinc/04/97/80/1018049780.db2.gz ATIBFOHMIUYUPH-UHFFFAOYSA-N -1 0 328.796 3.699 20 0 EHADRM O=C(N[C@H]1CCC[C@H]1Cc1ccccc1)c1c([O-])cc(F)cc1F ZINC000606534414 1032740807 /nfs/dbraw/zinc/74/08/07/1032740807.db2.gz NIXBMMQGPTXIIV-BBRMVZONSA-N -1 0 331.362 3.812 20 0 EHADRM C[C@H]1C(=O)CC[C@@H](C(=O)Nc2ccc3[n-]c(=S)oc3c2)C1(C)C ZINC000275709037 1018212090 /nfs/dbraw/zinc/21/20/90/1018212090.db2.gz UHMCYCVDGGPMQD-ONGXEEELSA-N -1 0 332.425 3.696 20 0 EHADRM C[C@@H]1c2c(F)cccc2CCN1C(=O)N=c1[n-]nc(C(C)(C)C)s1 ZINC000606557427 1032750180 /nfs/dbraw/zinc/75/01/80/1032750180.db2.gz TYPAUPGAXMGQKS-SNVBAGLBSA-N -1 0 348.447 3.548 20 0 EHADRM O=C([O-])C[S@@](=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000613676765 1018260054 /nfs/dbraw/zinc/26/00/54/1018260054.db2.gz UVODRVWLRHRXAR-OAQYLSRUSA-N -1 0 343.231 3.916 20 0 EHADRM Cc1ccc(Cl)c(NC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])c1 ZINC000325715878 1018433570 /nfs/dbraw/zinc/43/35/70/1018433570.db2.gz MGQJKVIKTXTNPC-INIZCTEOSA-N -1 0 344.798 3.692 20 0 EHADRM COc1nc(C(F)(F)F)ccc1-c1cccc(C2(C(=O)[O-])CC2)c1 ZINC000584540716 1018522740 /nfs/dbraw/zinc/52/27/40/1018522740.db2.gz JAWYRKAKZWREBX-UHFFFAOYSA-N -1 0 337.297 3.892 20 0 EHADRM O=C(NCCC1CCC(F)(F)CC1)NCc1ccc(O)c(F)c1 ZINC000893112630 1018529387 /nfs/dbraw/zinc/52/93/87/1018529387.db2.gz ARALWNNISZWYLF-UHFFFAOYSA-N -1 0 330.350 3.546 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1cccc(C(F)(F)F)c1F)CC(=O)[O-] ZINC000325427841 1018673353 /nfs/dbraw/zinc/67/33/53/1018673353.db2.gz YHEQBDPXVHBCQB-JTQLQIEISA-N -1 0 349.324 3.711 20 0 EHADRM CCOC1CC(CCN=c2nc(-c3cc(F)cc(F)c3)[n-]s2)C1 ZINC000645225160 1018761243 /nfs/dbraw/zinc/76/12/43/1018761243.db2.gz UGIWEIGPUSSSJD-UHFFFAOYSA-N -1 0 339.411 3.522 20 0 EHADRM CC[C@H](C)N(Cc1ccccc1)C(=O)N=c1[n-]nc(C2CC2)s1 ZINC000549903640 1018770131 /nfs/dbraw/zinc/77/01/31/1018770131.db2.gz SNOVYHJCRQBSLM-LBPRGKRZSA-N -1 0 330.457 3.670 20 0 EHADRM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1cc(C)oc1C ZINC000345087926 1018779030 /nfs/dbraw/zinc/77/90/30/1018779030.db2.gz CDBSZJWDPTVUSQ-UHFFFAOYSA-N -1 0 329.805 3.668 20 0 EHADRM Cc1cnc(C(=O)Nc2ccccc2-c2ncc3n2CCCC3)c([O-])c1 ZINC000614354672 1018835324 /nfs/dbraw/zinc/83/53/24/1018835324.db2.gz WWWAVGOOCQWMFL-UHFFFAOYSA-N -1 0 348.406 3.548 20 0 EHADRM [O-]c1c(Cl)cc(Nc2cncnc2Br)cc1Cl ZINC001210924829 1019045913 /nfs/dbraw/zinc/04/59/13/1019045913.db2.gz SYWNEWFLIARWBR-UHFFFAOYSA-N -1 0 334.988 3.995 20 0 EHADRM O=S(=O)([N-]c1nc(C2CC2)cs1)c1cc(Cl)ccc1F ZINC000340640379 1019053171 /nfs/dbraw/zinc/05/31/71/1019053171.db2.gz WPVAFZNBWQRTNI-UHFFFAOYSA-N -1 0 332.809 3.614 20 0 EHADRM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3c([O-])cc(F)cc3F)C2)cc1 ZINC000683890923 1019111372 /nfs/dbraw/zinc/11/13/72/1019111372.db2.gz RENGDKCGJQQLFU-OCCSQVGLSA-N -1 0 331.362 3.997 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NCc1cnn(-c2ccc(F)cc2)c1 ZINC000340671136 1019139448 /nfs/dbraw/zinc/13/94/48/1019139448.db2.gz JIRDBGAYMQYITH-UHFFFAOYSA-N -1 0 325.343 3.630 20 0 EHADRM Cc1ccc(NCc2c[nH]nc2-c2ccccc2F)cc1C(=O)[O-] ZINC000340672124 1019147457 /nfs/dbraw/zinc/14/74/57/1019147457.db2.gz SMGMUKMNCHPCOB-UHFFFAOYSA-N -1 0 325.343 3.835 20 0 EHADRM O=C([O-])c1ccccc1Nc1ccc(F)c(Br)c1O ZINC001210969562 1019151999 /nfs/dbraw/zinc/15/19/99/1019151999.db2.gz UFYGPGRVIYALJH-UHFFFAOYSA-N -1 0 326.121 3.736 20 0 EHADRM CC[C@H](CC(=O)[N-]S(=O)(=O)CC1CCCCC1)c1ccccc1 ZINC000729093610 1019189460 /nfs/dbraw/zinc/18/94/60/1019189460.db2.gz ZCBFDOOULPJMOV-MRXNPFEDSA-N -1 0 337.485 3.597 20 0 EHADRM Cc1ccc2c(Cl)c(C(=O)[N-]S(=O)(=O)CC(C)C)sc2c1 ZINC000729193854 1019226472 /nfs/dbraw/zinc/22/64/72/1019226472.db2.gz WOMPRFMIQNPBQX-UHFFFAOYSA-N -1 0 345.873 3.579 20 0 EHADRM CC(C)COc1cccc(NC(=O)N(CC(=O)[O-])C2CCCCC2)c1 ZINC000683922764 1019255184 /nfs/dbraw/zinc/25/51/84/1019255184.db2.gz VYKBRHAUNLBKSX-UHFFFAOYSA-N -1 0 348.443 3.973 20 0 EHADRM O=C(Cc1coc(-c2ccc(Cl)cc2)n1)[N-]OCc1ccccc1 ZINC000729304432 1019276780 /nfs/dbraw/zinc/27/67/80/1019276780.db2.gz SHOFZLMOQSKMEO-UHFFFAOYSA-N -1 0 342.782 3.786 20 0 EHADRM CC(C)C[C@@H](C[NH2+]Cc1c(Cl)cccc1OC(F)F)C(=O)[O-] ZINC000669479491 1032824525 /nfs/dbraw/zinc/82/45/25/1032824525.db2.gz MWGWTYWHQQAAMK-JTQLQIEISA-N -1 0 335.778 3.778 20 0 EHADRM Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000032097127 1032838117 /nfs/dbraw/zinc/83/81/17/1032838117.db2.gz PCPRWJYIYFYLAB-UHFFFAOYSA-N -1 0 346.383 3.954 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000262171968 1019555859 /nfs/dbraw/zinc/55/58/59/1019555859.db2.gz QLVFSIMAKVOISU-BBWFWOEESA-N -1 0 343.810 3.656 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)[C@]2(C)CC=CCC2)s1 ZINC000408490754 1019632675 /nfs/dbraw/zinc/63/26/75/1019632675.db2.gz CSZOCTAUXYJWFH-MRXNPFEDSA-N -1 0 341.498 3.597 20 0 EHADRM CC1(C(=O)[N-]S(=O)(=O)c2sccc2Cl)CCCCCC1 ZINC000408492330 1019652783 /nfs/dbraw/zinc/65/27/83/1019652783.db2.gz CYDNYLHYRPBKEO-UHFFFAOYSA-N -1 0 335.878 3.567 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2cccc(C)c2F)c1C ZINC000513436289 1019665666 /nfs/dbraw/zinc/66/56/66/1019665666.db2.gz DBSRAZYIRNSYAI-UHFFFAOYSA-N -1 0 325.430 3.965 20 0 EHADRM Cc1c2cccc(Cl)c2oc1C(=O)NC1(CC(=O)[O-])CCCC1 ZINC000262870685 1019752191 /nfs/dbraw/zinc/75/21/91/1019752191.db2.gz JNACTPDHVUEJKL-UHFFFAOYSA-N -1 0 335.787 3.912 20 0 EHADRM CC[C@@H](CC(=O)N1CC[C@@](C(=O)[O-])(C(C)C)C1)c1ccc(OC)cc1 ZINC000262878981 1019755447 /nfs/dbraw/zinc/75/54/47/1019755447.db2.gz GQVARYBDMGVAKQ-YWZLYKJASA-N -1 0 347.455 3.538 20 0 EHADRM CO[C@@H](C)c1nc(=N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)s[n-]1 ZINC000509930449 1019781827 /nfs/dbraw/zinc/78/18/27/1019781827.db2.gz YWCUPKQDWKYSME-VIRWGQHYSA-N -1 0 344.267 3.942 20 0 EHADRM CC(C)[C@@H](C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1 ZINC000263014460 1019791172 /nfs/dbraw/zinc/79/11/72/1019791172.db2.gz XMBXDOFJOYPCTK-ZWKOTPCHSA-N -1 0 343.398 3.550 20 0 EHADRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000263040074 1019796653 /nfs/dbraw/zinc/79/66/53/1019796653.db2.gz RKOZYEUIQMNULO-CZUORRHYSA-N -1 0 345.361 3.728 20 0 EHADRM CC[C@H](CC(=O)Nc1cccc(CC(=O)[O-])c1)c1ccc(OC)cc1 ZINC000263230326 1019847706 /nfs/dbraw/zinc/84/77/06/1019847706.db2.gz BKXUJLYDJMNZJH-OAHLLOKOSA-N -1 0 341.407 3.845 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cccc3ccccc32)n[nH]c1C1CC1 ZINC000760323609 1032857755 /nfs/dbraw/zinc/85/77/55/1032857755.db2.gz UFMZKBYTZVHZGS-UHFFFAOYSA-N -1 0 327.409 3.550 20 0 EHADRM Cc1ccc(C(=O)NCC2(C(=O)[O-])CC2)c(Sc2ccccc2)c1 ZINC000263420191 1019901076 /nfs/dbraw/zinc/90/10/76/1019901076.db2.gz IQUIDMQQIQVHAY-UHFFFAOYSA-N -1 0 341.432 3.741 20 0 EHADRM CCc1ccc(O)c([N-]S(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000580728976 1019927307 /nfs/dbraw/zinc/92/73/07/1019927307.db2.gz MYVODYYYUONCCZ-UHFFFAOYSA-N -1 0 329.780 3.548 20 0 EHADRM CCCC[C@H](NC(=O)CCCOc1ccc(Cl)c(C)c1)C(=O)[O-] ZINC000345203249 1020057238 /nfs/dbraw/zinc/05/72/38/1020057238.db2.gz BYDJHHZVKHQOEP-HNNXBMFYSA-N -1 0 341.835 3.567 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(CC3CCCCC3)n[nH]2)c(C)o1 ZINC000345204547 1020058721 /nfs/dbraw/zinc/05/87/21/1020058721.db2.gz MDUYRPMHNSOAKC-UHFFFAOYSA-N -1 0 337.445 3.543 20 0 EHADRM CC[C@@](C)(OC)C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000280130894 1020124179 /nfs/dbraw/zinc/12/41/79/1020124179.db2.gz BENBZNYAPCPHAU-GFCCVEGCSA-N -1 0 336.613 3.562 20 0 EHADRM Cc1cccc([C@H](C)CNC(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000580871141 1020163638 /nfs/dbraw/zinc/16/36/38/1020163638.db2.gz KITFLZSOZFUQFV-CRAIPNDOSA-N -1 0 340.423 3.566 20 0 EHADRM Cc1nn(C)c2sc(C(=O)Nc3ccc4nc([S-])oc4c3)cc12 ZINC000160733972 1020368376 /nfs/dbraw/zinc/36/83/76/1020368376.db2.gz XEFDRTKJGSDVAO-UHFFFAOYSA-N -1 0 344.421 3.625 20 0 EHADRM Cc1nn(CC(F)F)c(C)c1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000345581960 1020372773 /nfs/dbraw/zinc/37/27/73/1020372773.db2.gz GNLGRGKUWKPQEF-UHFFFAOYSA-N -1 0 347.724 3.515 20 0 EHADRM O=C(CCCc1ccc(O)c(F)c1)N[C@H]1CCCOc2ccccc21 ZINC000345674166 1020422724 /nfs/dbraw/zinc/42/27/24/1020422724.db2.gz SQRYMLLCJMUFRQ-KRWDZBQOSA-N -1 0 343.398 3.884 20 0 EHADRM O=C([N-]OCc1cccnc1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000160775568 1020457473 /nfs/dbraw/zinc/45/74/73/1020457473.db2.gz GTCZOOPGFZIBNX-UHFFFAOYSA-N -1 0 330.815 3.795 20 0 EHADRM Cc1cc(-c2ccccc2OCCC(=O)[O-])ccc1O[C@H]1CCOC1 ZINC000581202508 1020514972 /nfs/dbraw/zinc/51/49/72/1020514972.db2.gz OGVLIZPCMQNKKL-INIZCTEOSA-N -1 0 342.391 3.683 20 0 EHADRM Cc1cccc2cc(C(=O)N[C@H](CC(=O)[O-])c3ccccc3C)oc21 ZINC000345879745 1020569550 /nfs/dbraw/zinc/56/95/50/1020569550.db2.gz FFQHYWIDZBLMKE-MRXNPFEDSA-N -1 0 337.375 3.995 20 0 EHADRM COc1cc(C)c(C)cc1NC(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000656487268 1020711616 /nfs/dbraw/zinc/71/16/16/1020711616.db2.gz POSGGIMBYIDJCE-OAHLLOKOSA-N -1 0 327.380 3.509 20 0 EHADRM C[C@@](CC(=O)Nc1cccc(OC(F)F)c1)(C(=O)[O-])c1ccccc1 ZINC000048383477 1020732691 /nfs/dbraw/zinc/73/26/91/1020732691.db2.gz AMLJGEMSPFQRJE-SFHVURJKSA-N -1 0 349.333 3.659 20 0 EHADRM O=S(=O)([N-]c1ccc(Br)c(F)c1)c1ccccc1F ZINC000088083716 1020733229 /nfs/dbraw/zinc/73/32/29/1020733229.db2.gz BCWHPAIGGWOIOF-UHFFFAOYSA-N -1 0 348.168 3.528 20 0 EHADRM CC[C@H](C)c1ccc(C([O-])=CS(=O)(=O)Cc2ccccc2)cc1 ZINC000647154977 1020737229 /nfs/dbraw/zinc/73/72/29/1020737229.db2.gz OUWQBDQRTMNCKA-HNNXBMFYSA-N -1 0 330.449 3.998 20 0 EHADRM Cc1c(C(=O)N2CC[C@@](C(=O)[O-])(C(C)C)C2)sc2cccc(F)c12 ZINC000261741365 1020758527 /nfs/dbraw/zinc/75/85/27/1020758527.db2.gz SVWQIFCDNSCFNP-SFHVURJKSA-N -1 0 349.427 3.922 20 0 EHADRM C[C@@](CCF)(NC(=O)Nc1cccc(-c2cccs2)c1)C(=O)[O-] ZINC000656504750 1020760921 /nfs/dbraw/zinc/76/09/21/1020760921.db2.gz JWDZIVCTWHRQSK-INIZCTEOSA-N -1 0 336.388 3.740 20 0 EHADRM COc1cccc(/C=C(/CC(=O)[O-])c2nc3ccccc3o2)c1F ZINC000669644416 1032938663 /nfs/dbraw/zinc/93/86/63/1032938663.db2.gz UILAEBZUKCQNKU-XFXZXTDPSA-N -1 0 327.311 3.991 20 0 EHADRM CCOc1ccc(C[NH2+][C@@H](CC(=O)[O-])c2cccc(OC)c2)c(C)c1 ZINC000656565122 1020921665 /nfs/dbraw/zinc/92/16/65/1020921665.db2.gz FCFKPAZUTBMSMM-IBGZPJMESA-N -1 0 343.423 3.708 20 0 EHADRM CC[C@@H](NC(=O)N([C@@H](C)C(=O)[O-])C1CCC1)c1cccc(Cl)c1 ZINC000581465882 1020936791 /nfs/dbraw/zinc/93/67/91/1020936791.db2.gz MTTMWYGQSZYMJG-XHDPSFHLSA-N -1 0 338.835 3.828 20 0 EHADRM CC(C)c1scnc1[N-]S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000341099698 1020978323 /nfs/dbraw/zinc/97/83/23/1020978323.db2.gz QOSRLEGJLCKQGX-UHFFFAOYSA-N -1 0 339.417 3.688 20 0 EHADRM CCCOc1cccnc1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000760442588 1032958473 /nfs/dbraw/zinc/95/84/73/1032958473.db2.gz HKUOMHOTUDAZPJ-UHFFFAOYSA-N -1 0 329.381 3.553 20 0 EHADRM CCCN(C(=O)N[C@@H]1CC(C)(C)c2ccccc21)[C@@H](CC)C(=O)[O-] ZINC000518470873 1021214188 /nfs/dbraw/zinc/21/41/88/1021214188.db2.gz FRKQKZDWVKVXIV-CVEARBPZSA-N -1 0 332.444 3.694 20 0 EHADRM COc1nc(C(=O)Nc2cc(Cl)c([O-])cc2F)cc2ccccc21 ZINC000436769334 1021220601 /nfs/dbraw/zinc/22/06/01/1021220601.db2.gz IEIVSHUVVVPLFZ-UHFFFAOYSA-N -1 0 346.745 3.994 20 0 EHADRM CC[C@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CCCO1 ZINC000436783015 1021224336 /nfs/dbraw/zinc/22/43/36/1021224336.db2.gz KKZXSSGNJMPZGG-LBPRGKRZSA-N -1 0 333.815 3.840 20 0 EHADRM CO[C@@H](CS(=O)(=O)[N-]c1nccc2ccccc21)C1CCCCC1 ZINC000656735938 1021230531 /nfs/dbraw/zinc/23/05/31/1021230531.db2.gz YHZNBPNIOGNOLH-KRWDZBQOSA-N -1 0 348.468 3.572 20 0 EHADRM CCc1nc(C)c([N-]S(=O)(=O)Cc2cc(F)ccc2Cl)s1 ZINC000656739683 1021237086 /nfs/dbraw/zinc/23/70/86/1021237086.db2.gz WKZLWTWNFCJNIS-UHFFFAOYSA-N -1 0 348.852 3.748 20 0 EHADRM O=C(Nc1ccc(F)c(F)c1[O-])c1c[nH]nc1-c1cccc(Cl)c1 ZINC001625987920 1032966980 /nfs/dbraw/zinc/96/69/80/1032966980.db2.gz IISRYYFNQPGEOU-UHFFFAOYSA-N -1 0 349.724 3.966 20 0 EHADRM CC[C@](C)(NC(=O)Nc1ccc(Oc2cccnc2)c(C)c1)C(=O)[O-] ZINC000581645397 1021245200 /nfs/dbraw/zinc/24/52/00/1021245200.db2.gz WZFVNOKEWWRQKP-SFHVURJKSA-N -1 0 343.383 3.557 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000439223383 1021254688 /nfs/dbraw/zinc/25/46/88/1021254688.db2.gz NBNNCFUJJSLEAD-XQQFMLRXSA-N -1 0 339.505 3.570 20 0 EHADRM CCCN=c1[n-]nc(SCc2ccc(O)c3nc(C)ccc23)s1 ZINC000427264377 1021266984 /nfs/dbraw/zinc/26/69/84/1021266984.db2.gz DTGCXGFAOKQSSM-UHFFFAOYSA-N -1 0 346.481 3.636 20 0 EHADRM Cc1ccc2[nH]c3c(c2c1)CN([C@H](C(=O)[O-])c1ccsc1)CC3 ZINC000656767053 1021292587 /nfs/dbraw/zinc/29/25/87/1021292587.db2.gz QQGAOIIHZIELMN-KRWDZBQOSA-N -1 0 326.421 3.722 20 0 EHADRM O=C(c1cc(F)cc(Br)c1[O-])N1CC2(C1)CCCCC2 ZINC000436850303 1021293184 /nfs/dbraw/zinc/29/31/84/1021293184.db2.gz HGPZRUFIIUADJY-UHFFFAOYSA-N -1 0 342.208 3.700 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CCc2nc3ccccc3s2)c1 ZINC000436860833 1021297929 /nfs/dbraw/zinc/29/79/29/1021297929.db2.gz IGAPRUZUAILUKP-UHFFFAOYSA-N -1 0 340.404 3.776 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)c1 ZINC000436859715 1021298684 /nfs/dbraw/zinc/29/86/84/1021298684.db2.gz CJASYHILBCLOSP-GJZGRUSLSA-N -1 0 329.783 3.990 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2ccc(Br)cc2C)c1 ZINC000436864065 1021299443 /nfs/dbraw/zinc/29/94/43/1021299443.db2.gz XEMMAQSUOCQPBW-UHFFFAOYSA-N -1 0 348.196 3.918 20 0 EHADRM CC(C)Oc1ccccc1C[N@@H+]1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000656766419 1021299751 /nfs/dbraw/zinc/29/97/51/1021299751.db2.gz RMSZUMUEXGKCIG-SQNIBIBYSA-N -1 0 331.456 3.939 20 0 EHADRM O=C([O-])c1cccc2oc(/C=C/c3ccn(-c4ccccc4)n3)nc21 ZINC000439276292 1021314007 /nfs/dbraw/zinc/31/40/07/1021314007.db2.gz OUHBUGFEUGKRHV-MDZDMXLPSA-N -1 0 331.331 3.882 20 0 EHADRM O=C([O-])c1cccc2oc(/C=C/c3cnn(Cc4ccccc4)c3)nc21 ZINC000439282002 1021320514 /nfs/dbraw/zinc/32/05/14/1021320514.db2.gz XNBVBRKQKYANEW-MDZDMXLPSA-N -1 0 345.358 3.941 20 0 EHADRM O=C(NCCc1cccc2cccnc21)c1cc(F)c([O-])c(Cl)c1 ZINC000436883190 1021332109 /nfs/dbraw/zinc/33/21/09/1021332109.db2.gz BLVQYXKBHCMAKB-UHFFFAOYSA-N -1 0 344.773 3.705 20 0 EHADRM CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)Nc2cccc(Cl)c2[O-])C1 ZINC000593554983 1032973906 /nfs/dbraw/zinc/97/39/06/1032973906.db2.gz BISYCVVFOGWHLJ-WDEREUQCSA-N -1 0 339.819 3.742 20 0 EHADRM C[C@@H]1CCN(c2cc(C(=O)Nc3cc(F)cc(Cl)c3[O-])ccn2)C1 ZINC000436913877 1021369876 /nfs/dbraw/zinc/36/98/76/1021369876.db2.gz ZSSHAULTZRTYJP-SNVBAGLBSA-N -1 0 349.793 3.678 20 0 EHADRM CC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2Cl)ccc1F ZINC000507580863 1021371534 /nfs/dbraw/zinc/37/15/34/1021371534.db2.gz HUNBVAQEXQQGTD-UHFFFAOYSA-N -1 0 341.791 3.791 20 0 EHADRM CCc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)ccc1F ZINC000507584187 1021373429 /nfs/dbraw/zinc/37/34/29/1021373429.db2.gz ONPZKQRGNREURZ-UHFFFAOYSA-N -1 0 333.306 3.606 20 0 EHADRM C[C@@H](NC(=O)c1ccccc1CCC(=O)[O-])[C@H](C)c1ccccc1 ZINC000909409949 1021398109 /nfs/dbraw/zinc/39/81/09/1021398109.db2.gz CCUOFLGEMULQCI-LSDHHAIUSA-N -1 0 325.408 3.626 20 0 EHADRM C[C@@H]1SCCN(C(=O)c2c([O-])cccc2F)[C@@H]1c1ccccc1 ZINC000436948374 1021407810 /nfs/dbraw/zinc/40/78/10/1021407810.db2.gz OLSPYHKBBQOCGP-SJCJKPOMSA-N -1 0 331.412 3.850 20 0 EHADRM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)c1ccc(O)cc1 ZINC000436964750 1021413043 /nfs/dbraw/zinc/41/30/43/1021413043.db2.gz SFBCWXZUHOOXHE-RTBURBONSA-N -1 0 337.419 3.760 20 0 EHADRM C[C@@H]1CCN(C(=O)Cc2cccc(C(=O)[O-])c2)[C@@H]1c1cccc(F)c1 ZINC000262072518 1021420565 /nfs/dbraw/zinc/42/05/65/1021420565.db2.gz DBOPGOOYOQSAHX-YJYMSZOUSA-N -1 0 341.382 3.676 20 0 EHADRM CCSc1nccnc1-c1noc(-c2ccc(CC)cc2O)n1 ZINC000436957364 1021421005 /nfs/dbraw/zinc/42/10/05/1021421005.db2.gz XDLREOMLNNVGJY-UHFFFAOYSA-N -1 0 328.397 3.574 20 0 EHADRM O=C(Nc1nnc(-c2ccccc2Cl)s1)c1c([O-])cccc1F ZINC000436960946 1021425113 /nfs/dbraw/zinc/42/51/13/1021425113.db2.gz SLRMAISGMLNFBB-UHFFFAOYSA-N -1 0 349.774 3.956 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCOCC2(CCC2)C1 ZINC000436960938 1021426119 /nfs/dbraw/zinc/42/61/19/1021426119.db2.gz SJVCYKPDTMGPMN-UHFFFAOYSA-N -1 0 345.826 3.842 20 0 EHADRM COCc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(C(C)C)c2)c1 ZINC000506575302 1021432202 /nfs/dbraw/zinc/43/22/02/1021432202.db2.gz ASWLTNMXFNIEKI-UHFFFAOYSA-N -1 0 349.452 3.766 20 0 EHADRM Cc1ccc(-n2cccn2)cc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000436989953 1021442968 /nfs/dbraw/zinc/44/29/68/1021442968.db2.gz PXBGKRJDTRRGOV-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM O=C(NCc1c(F)cc(F)c(F)c1F)c1ccc([O-])c(Cl)c1 ZINC000436991303 1021446791 /nfs/dbraw/zinc/44/67/91/1021446791.db2.gz RLWNBKWQZOIVHZ-UHFFFAOYSA-N -1 0 333.668 3.532 20 0 EHADRM COc1ccc(Cc2noc(-c3ccc(Cl)cc3[O-])n2)cc1F ZINC000436998877 1021468648 /nfs/dbraw/zinc/46/86/48/1021468648.db2.gz QIENZDDLGNPAKF-UHFFFAOYSA-N -1 0 334.734 3.834 20 0 EHADRM CCCCCN(CCCOC)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000437000990 1021471691 /nfs/dbraw/zinc/47/16/91/1021471691.db2.gz NKQBQLMDQSXJQY-UHFFFAOYSA-N -1 0 331.815 3.854 20 0 EHADRM O=C([O-])[C@@]12CCC[C@@H]1CN(C(=O)c1ccccc1Cc1ccccc1)C2 ZINC000341341077 1021477675 /nfs/dbraw/zinc/47/76/75/1021477675.db2.gz AYOIIMSRHZKPGB-XMSQKQJNSA-N -1 0 349.430 3.604 20 0 EHADRM C[C@H](Nc1ccc(Br)cc1C(=O)[O-])c1ccc(F)cn1 ZINC001167479393 1021588420 /nfs/dbraw/zinc/58/84/20/1021588420.db2.gz LQITUYQRKJQJRF-QMMMGPOBSA-N -1 0 339.164 3.855 20 0 EHADRM O=C(N=c1nc(-c2ccsc2)[n-]s1)N1CC[C@@H](C2CCCC2)C1 ZINC000519637659 1021590486 /nfs/dbraw/zinc/59/04/86/1021590486.db2.gz GMCKVLNEJDLWGK-GFCCVEGCSA-N -1 0 348.497 3.733 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cc1F ZINC000142062988 1021619120 /nfs/dbraw/zinc/61/91/20/1021619120.db2.gz KZEXDFJAPFGJMF-UHFFFAOYSA-N -1 0 349.305 3.834 20 0 EHADRM CC[C@H](F)CSc1n[n-]c(=Nc2cccc(NC(C)=O)c2)s1 ZINC000440575520 1021628748 /nfs/dbraw/zinc/62/87/48/1021628748.db2.gz KMAUEZOIGWKGAO-JTQLQIEISA-N -1 0 340.449 3.502 20 0 EHADRM CC(C)Sc1ccc(Cl)cc1NC(=O)c1ccc(C(N)=O)o1 ZINC000437216626 1021657021 /nfs/dbraw/zinc/65/70/21/1021657021.db2.gz VBHYETZMPMDMCH-UHFFFAOYSA-N -1 0 338.816 3.785 20 0 EHADRM Cc1cc(C(=O)Nc2cc(Cl)ccc2O)c(C)n1[C@@H]1CCOC1 ZINC000528879960 1033001030 /nfs/dbraw/zinc/00/10/30/1033001030.db2.gz ZWPDJLPYBXVDGG-CYBMUJFWSA-N -1 0 334.803 3.678 20 0 EHADRM CC(C)(NC(=O)NCc1ccccc1-c1ccc(Cl)cc1)C(=O)[O-] ZINC000519788589 1021691069 /nfs/dbraw/zinc/69/10/69/1021691069.db2.gz SBSURHFDEXCGQM-UHFFFAOYSA-N -1 0 346.814 3.669 20 0 EHADRM CC(C)(C)c1cnc([N-]S(=O)(=O)c2cccc(Cl)c2)s1 ZINC000437315599 1021722868 /nfs/dbraw/zinc/72/28/68/1021722868.db2.gz ARWCKVTZCABBEH-UHFFFAOYSA-N -1 0 330.862 3.895 20 0 EHADRM CSc1cccc(NC(=O)N(CC(=O)[O-])Cc2ccccc2)c1 ZINC000516842277 1021782995 /nfs/dbraw/zinc/78/29/95/1021782995.db2.gz XCJSUXDRJRKYFN-UHFFFAOYSA-N -1 0 330.409 3.527 20 0 EHADRM Cc1cccc(C[C@H](CNC(=O)c2cc(Cl)ccc2C)C(=O)[O-])c1 ZINC000439906343 1021802963 /nfs/dbraw/zinc/80/29/63/1021802963.db2.gz XUWVFZMXSHTZIB-OAHLLOKOSA-N -1 0 345.826 3.630 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)cc1 ZINC000439916990 1021822675 /nfs/dbraw/zinc/82/26/75/1021822675.db2.gz GOEHFWORYBXMEO-LPHOPBHVSA-N -1 0 339.435 3.814 20 0 EHADRM Cc1nc([C@H](C)NC(=O)c2ccc(C(C)C)s2)sc1C(=O)[O-] ZINC000439922026 1021827736 /nfs/dbraw/zinc/82/77/36/1021827736.db2.gz PDYPIQFHSQCMHM-VIFPVBQESA-N -1 0 338.454 3.826 20 0 EHADRM O=C([O-])C1CCC(C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)CC1 ZINC000440005378 1021894736 /nfs/dbraw/zinc/89/47/36/1021894736.db2.gz OYHBQJWKXNETOF-UHFFFAOYSA-N -1 0 347.842 3.847 20 0 EHADRM CC[C@@H](C(=O)N=c1ccc(C2CC2)n[n-]1)c1cccc(C(F)(F)F)c1 ZINC000437549833 1021934321 /nfs/dbraw/zinc/93/43/21/1021934321.db2.gz TVORGVIAGOXPAG-CQSZACIVSA-N -1 0 349.356 3.927 20 0 EHADRM CCOc1ccc(NC(=O)N([C@H](CC)C(=O)[O-])C2CC2)cc1Cl ZINC000517008281 1021936482 /nfs/dbraw/zinc/93/64/82/1021936482.db2.gz YSHMHLQDHOVECZ-CYBMUJFWSA-N -1 0 340.807 3.598 20 0 EHADRM CC(C)C(C)(C)[S@](=O)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000517014510 1021940370 /nfs/dbraw/zinc/94/03/70/1021940370.db2.gz CLIMNSOOWMAGPY-HXPMCKFVSA-N -1 0 347.274 3.758 20 0 EHADRM CC(C)c1cc(Br)ccc1[N-]S(=O)(=O)c1ccco1 ZINC000437647228 1022018540 /nfs/dbraw/zinc/01/85/40/1022018540.db2.gz BLCVACCCWKYPRD-UHFFFAOYSA-N -1 0 344.230 3.966 20 0 EHADRM Cc1ccnc(Oc2cc([N-]S(=O)(=O)c3ccco3)ccc2C)c1 ZINC000437662734 1022037310 /nfs/dbraw/zinc/03/73/10/1022037310.db2.gz OUJFKXIAFPJLED-UHFFFAOYSA-N -1 0 344.392 3.885 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)c(F)cc1F ZINC000440286163 1022067058 /nfs/dbraw/zinc/06/70/58/1022067058.db2.gz RCCSWLYEFKYFIC-UHFFFAOYSA-N -1 0 349.305 3.675 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CCC[C@H]1c1ccncc1 ZINC000574337835 1033027326 /nfs/dbraw/zinc/02/73/26/1033027326.db2.gz YFFJEEHWZJDZSF-AWEZNQCLSA-N -1 0 336.313 3.783 20 0 EHADRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000440296232 1022073303 /nfs/dbraw/zinc/07/33/03/1022073303.db2.gz SLGFNZUSKRNCSD-UHFFFAOYSA-N -1 0 345.342 3.612 20 0 EHADRM O=S(=O)([N-]c1ccccc1N1CCCCCC1)c1ccsc1 ZINC000506812909 1022078196 /nfs/dbraw/zinc/07/81/96/1022078196.db2.gz COXUHGWLHBOLMM-UHFFFAOYSA-N -1 0 336.482 3.929 20 0 EHADRM CCOc1ccc(NC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000574355137 1033030370 /nfs/dbraw/zinc/03/03/70/1033030370.db2.gz QNGQXKVRXPKNJB-AWEZNQCLSA-N -1 0 342.395 3.593 20 0 EHADRM O=C(Cc1cccc2ccccc21)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000440417890 1022179367 /nfs/dbraw/zinc/17/93/67/1022179367.db2.gz ZRYJCMLCGBXXPK-UHFFFAOYSA-N -1 0 339.398 3.900 20 0 EHADRM CCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)OC(C)(C)O3)cc1 ZINC000520403947 1022206175 /nfs/dbraw/zinc/20/61/75/1022206175.db2.gz ZKNXFTIXTJBVOK-UHFFFAOYSA-N -1 0 347.436 3.947 20 0 EHADRM Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1ccc([O-])c(Cl)c1 ZINC000437920750 1022252211 /nfs/dbraw/zinc/25/22/11/1022252211.db2.gz ODUJYHWXLKCPOE-UHFFFAOYSA-N -1 0 347.802 3.700 20 0 EHADRM O=C([O-])CSCc1ccc(-c2ccc(O[C@H]3CCOC3)cc2)cc1 ZINC000520428825 1022363396 /nfs/dbraw/zinc/36/33/96/1022363396.db2.gz BCBJQNHZBVIUDA-SFHVURJKSA-N -1 0 344.432 3.839 20 0 EHADRM CCCc1ccc(NC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cc1 ZINC000326451950 1022364716 /nfs/dbraw/zinc/36/47/16/1022364716.db2.gz DLSIXQMQPKVIEW-SFHVURJKSA-N -1 0 338.407 3.683 20 0 EHADRM CC1(C)CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)c2ccccc21 ZINC000425952560 1022426122 /nfs/dbraw/zinc/42/61/22/1022426122.db2.gz SYDFJGRRGYYAQK-UHFFFAOYSA-N -1 0 332.403 3.856 20 0 EHADRM Cc1ccc(C([O-])=CS(=O)(=O)c2cc(F)c(C)cc2F)cc1C ZINC000517591921 1022480436 /nfs/dbraw/zinc/48/04/36/1022480436.db2.gz LLXOUOATCUYGMZ-UHFFFAOYSA-N -1 0 338.375 3.547 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000581943870 1022500253 /nfs/dbraw/zinc/50/02/53/1022500253.db2.gz DHQMPCLRTSELRW-UHOSZYNNSA-N -1 0 343.467 3.920 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1cccc(OCCF)c1 ZINC000188476308 1022569790 /nfs/dbraw/zinc/56/97/90/1022569790.db2.gz NYAZPXAYUAJZBY-UHFFFAOYSA-N -1 0 341.429 3.558 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)CCC2 ZINC000188466015 1022575832 /nfs/dbraw/zinc/57/58/32/1022575832.db2.gz MIBAVAJTUMIGEN-UHFFFAOYSA-N -1 0 347.461 3.728 20 0 EHADRM CN(Cc1ccc(Cl)s1)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000330641012 1022627277 /nfs/dbraw/zinc/62/72/77/1022627277.db2.gz QOYKUOONQYTNDD-UHFFFAOYSA-N -1 0 344.893 3.636 20 0 EHADRM CSc1ccncc1[N-]C(=S)N[C@@H]1CCc2ccccc2C1 ZINC000749898836 1033070979 /nfs/dbraw/zinc/07/09/79/1033070979.db2.gz VXGUACOCQCAIMW-CQSZACIVSA-N -1 0 329.494 3.647 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cnc3c(c2)CCCC3)sc1Cl ZINC000473756038 1022670795 /nfs/dbraw/zinc/67/07/95/1022670795.db2.gz JONNUZLTHFPJIM-UHFFFAOYSA-N -1 0 342.873 3.785 20 0 EHADRM Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1c([O-])cc(F)cc1F ZINC000684509121 1022703646 /nfs/dbraw/zinc/70/36/46/1022703646.db2.gz IWMMEXUFUPPUEB-UHFFFAOYSA-N -1 0 329.306 3.621 20 0 EHADRM C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)N=c2[n-]nc(-c3ccccc3)s2)C1 ZINC000473770639 1022709205 /nfs/dbraw/zinc/70/92/05/1022709205.db2.gz MBTIKLRAAJIVHF-UPJWGTAASA-N -1 0 330.457 3.525 20 0 EHADRM CCc1nc(C)c([N-]S(=O)(=O)c2ccc(C)cc2Cl)s1 ZINC000331099662 1022741071 /nfs/dbraw/zinc/74/10/71/1022741071.db2.gz ATXJSRAFGBYTPQ-UHFFFAOYSA-N -1 0 330.862 3.777 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])NC(=O)CC2CCC(C)(C)CC2)c1 ZINC000581980510 1022798626 /nfs/dbraw/zinc/79/86/26/1022798626.db2.gz PRGQETDKZHBVLD-QGZVFWFLSA-N -1 0 347.455 3.934 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)ccc1F ZINC000188581364 1022832137 /nfs/dbraw/zinc/83/21/37/1022832137.db2.gz ISSWJGLHJYQNRP-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM CCCOc1cccc([N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000509613264 1022832407 /nfs/dbraw/zinc/83/24/07/1022832407.db2.gz KDJVYDUMMLFUIH-UHFFFAOYSA-N -1 0 327.352 3.554 20 0 EHADRM O=C(NC[C@@H](c1ccccc1)C(F)(F)F)c1cc(F)c([O-])c(F)c1 ZINC000188638963 1022870861 /nfs/dbraw/zinc/87/08/61/1022870861.db2.gz BPUKUTSDABLPCW-NSHDSACASA-N -1 0 345.267 3.746 20 0 EHADRM CC[C@H](C)CN(CC)C(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000473817424 1022878012 /nfs/dbraw/zinc/87/80/12/1022878012.db2.gz JNBOREVVLJCLPZ-JTQLQIEISA-N -1 0 338.502 3.897 20 0 EHADRM C[C@@H](CCNC(=O)N=c1[n-]nc(-c2ccco2)s1)c1ccccc1 ZINC000506328694 1022937178 /nfs/dbraw/zinc/93/71/78/1022937178.db2.gz BPDQKOAATFNJPV-LBPRGKRZSA-N -1 0 342.424 3.535 20 0 EHADRM COc1ccc(NC(=O)c2cccc(Br)c2[O-])cc1F ZINC000518029489 1022939266 /nfs/dbraw/zinc/93/92/66/1022939266.db2.gz BTKADNTWSRQHIH-UHFFFAOYSA-N -1 0 340.148 3.555 20 0 EHADRM O=C([O-])c1coc(CNCc2ccc(Br)cc2Cl)c1 ZINC000426698695 1022970518 /nfs/dbraw/zinc/97/05/18/1022970518.db2.gz AOEASCZYWVGZKJ-UHFFFAOYSA-N -1 0 344.592 3.684 20 0 EHADRM Cc1cc(NC(=O)CC2(C(=O)[O-])CCCC2)ccc1C(F)(F)F ZINC000438767304 1022982625 /nfs/dbraw/zinc/98/26/25/1022982625.db2.gz VSFJINQEYALEMA-UHFFFAOYSA-N -1 0 329.318 3.987 20 0 EHADRM CC(C)Cn1cc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cn1 ZINC000438773558 1022987169 /nfs/dbraw/zinc/98/71/69/1022987169.db2.gz HMEXZDZBRQEWPJ-UHFFFAOYSA-N -1 0 348.255 3.647 20 0 EHADRM O=C([O-])[C@H]([NH2+]Cc1cccc(OC(F)(F)F)c1)c1cccc(F)c1 ZINC000426762525 1023015755 /nfs/dbraw/zinc/01/57/55/1023015755.db2.gz KYDKGSVJFNHHBC-CQSZACIVSA-N -1 0 343.276 3.640 20 0 EHADRM CC(C)[C@@H](CC(F)(F)F)NC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000438827738 1023045100 /nfs/dbraw/zinc/04/51/00/1023045100.db2.gz TUJHALSBMOBDND-SNVBAGLBSA-N -1 0 327.705 3.892 20 0 EHADRM O=C([O-])[C@H](NCc1ccc(-c2ccccc2F)o1)c1ccc(O)cc1 ZINC000426783598 1023042319 /nfs/dbraw/zinc/04/23/19/1023042319.db2.gz MPRRHIDLMBOMGL-GOSISDBHSA-N -1 0 341.338 3.707 20 0 EHADRM C[C@@H](CN=c1[n-]nc(-c2ccccc2)s1)COCc1ccccc1 ZINC000506977402 1023058373 /nfs/dbraw/zinc/05/83/73/1023058373.db2.gz MLLSDIDYSMZWRS-HNNXBMFYSA-N -1 0 339.464 3.892 20 0 EHADRM CCc1ccc([C@@H](NCc2nc3c(s2)C[C@@H](C)CC3)C(=O)[O-])cc1 ZINC000426812823 1023061936 /nfs/dbraw/zinc/06/19/36/1023061936.db2.gz SEEGPQHUKUJAFF-KPZWWZAWSA-N -1 0 344.480 3.746 20 0 EHADRM Cc1ccc(C)c([N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)c1 ZINC000430981345 1023076220 /nfs/dbraw/zinc/07/62/20/1023076220.db2.gz WJDSZGMSCQFDRK-UHFFFAOYSA-N -1 0 333.306 3.661 20 0 EHADRM CCC[C@H](N=c1nc([C@H](C)OC)[n-]s1)c1ccc(F)cc1F ZINC000509582741 1023088286 /nfs/dbraw/zinc/08/82/86/1023088286.db2.gz IJSXPZATKMIIQC-ZANVPECISA-N -1 0 327.400 3.899 20 0 EHADRM CCN(C(=O)N=c1[n-]nc(Cc2ccc(C)cc2)s1)[C@@H](C)C(C)C ZINC000518170182 1023089280 /nfs/dbraw/zinc/08/92/80/1023089280.db2.gz YXPLNLUUVCJPPC-AWEZNQCLSA-N -1 0 346.500 3.758 20 0 EHADRM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2cccc(F)c2F)cc1 ZINC000509588064 1023092894 /nfs/dbraw/zinc/09/28/94/1023092894.db2.gz UMWIHXTWUBYSEM-LLVKDONJSA-N -1 0 341.379 3.943 20 0 EHADRM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000509592452 1023096537 /nfs/dbraw/zinc/09/65/37/1023096537.db2.gz AIKWROMFKHMIGZ-NSHDSACASA-N -1 0 341.379 3.943 20 0 EHADRM COc1ccc(F)cc1NC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1 ZINC000237175830 1023109308 /nfs/dbraw/zinc/10/93/08/1023109308.db2.gz ZIBNGSWUWSJEMO-SFHVURJKSA-N -1 0 337.391 3.834 20 0 EHADRM CCc1noc(=NCc2ccc(-c3nc4ccccc4s3)o2)[n-]1 ZINC000431030179 1023149277 /nfs/dbraw/zinc/14/92/77/1023149277.db2.gz KATJHSJUTOYQBL-UHFFFAOYSA-N -1 0 326.381 3.536 20 0 EHADRM Cc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)ccc1F ZINC000346020293 1023175509 /nfs/dbraw/zinc/17/55/09/1023175509.db2.gz TYDWYJHVVDOTAG-OAHLLOKOSA-N -1 0 335.762 3.733 20 0 EHADRM CC(C)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)n[nH]1 ZINC000438985833 1023192336 /nfs/dbraw/zinc/19/23/36/1023192336.db2.gz ONXIDURUWHUQHX-UHFFFAOYSA-N -1 0 334.228 3.641 20 0 EHADRM O=S(=O)([N-]c1noc2ccccc21)c1ccccc1C(F)(F)F ZINC000438986328 1023192421 /nfs/dbraw/zinc/19/24/21/1023192421.db2.gz PYGVFRPKFHWADF-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM O=[N+]([O-])c1cc(Cl)cc(/C=N/CCOc2ccccc2F)c1[O-] ZINC000022728426 1023211049 /nfs/dbraw/zinc/21/10/49/1023211049.db2.gz FMQDJDIHYYMLPT-GIJQJNRQSA-N -1 0 338.722 3.591 20 0 EHADRM O=C([O-])[C@H]1CC[C@H]1C(=O)Nc1ccccc1Nc1ccc(F)cc1F ZINC000507308569 1023237184 /nfs/dbraw/zinc/23/71/84/1023237184.db2.gz DTZTYBPLCNONHK-NEPJUHHUSA-N -1 0 346.333 3.758 20 0 EHADRM COc1ccc(C)cc1CN=c1[n-]c(-c2cccc(Cl)c2)no1 ZINC000593994455 1033115774 /nfs/dbraw/zinc/11/57/74/1033115774.db2.gz QTPUTONKZGPKCR-UHFFFAOYSA-N -1 0 329.787 3.741 20 0 EHADRM C[C@@H](CCNS(=O)(=O)c1cccc(Cl)c1[O-])CC(C)(C)C ZINC001211526572 1023291560 /nfs/dbraw/zinc/29/15/60/1023291560.db2.gz ZTWYENVRBAYBOY-NSHDSACASA-N -1 0 333.881 3.786 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000262106639 1023291800 /nfs/dbraw/zinc/29/18/00/1023291800.db2.gz FAJLCVSPYPNUII-HNNXBMFYSA-N -1 0 325.408 3.546 20 0 EHADRM O=C(Nc1scnc1-c1ccccc1)c1cc(=O)c2ccccc2[n-]1 ZINC000341786820 1023312841 /nfs/dbraw/zinc/31/28/41/1023312841.db2.gz SLEBIZUAAAADLB-UHFFFAOYSA-N -1 0 347.399 3.904 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2sc(C)cc2C)cc1C ZINC000431162204 1023363282 /nfs/dbraw/zinc/36/32/82/1023363282.db2.gz HYZVEHFWMLPSNF-JTQLQIEISA-N -1 0 327.475 3.642 20 0 EHADRM CCn1cc(CNC(=O)C(F)(F)c2cccc(Cl)c2Cl)cn1 ZINC000843592833 1023446741 /nfs/dbraw/zinc/44/67/41/1023446741.db2.gz GHZLMNRGXKXUNR-UHFFFAOYSA-N -1 0 348.180 3.618 20 0 EHADRM C[C@H]1[C@@H](C(=O)Nc2cccc(Cl)c2[O-])CCN1c1ccccc1 ZINC000476335010 1033139067 /nfs/dbraw/zinc/13/90/67/1033139067.db2.gz JZVIXEUPAQPSGD-JSGCOSHPSA-N -1 0 330.815 3.899 20 0 EHADRM CC(C)c1ccc(S(=O)(=O)[N-]c2cnn([C@H](C)C3CC3)c2)cc1 ZINC000187739183 1023521906 /nfs/dbraw/zinc/52/19/06/1023521906.db2.gz OOVRCOHMLPAOLV-CYBMUJFWSA-N -1 0 333.457 3.778 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000431210427 1023525609 /nfs/dbraw/zinc/52/56/09/1023525609.db2.gz HDKQLJGRCSGPPN-IRWJRLHMSA-N -1 0 349.858 3.763 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000431214809 1023528162 /nfs/dbraw/zinc/52/81/62/1023528162.db2.gz XMSUNNZAXLZUDC-LULLPPNCSA-N -1 0 343.467 3.890 20 0 EHADRM Cc1ccc([C@@H](NCc2ccc(CSC(F)F)o2)C(=O)[O-])cc1 ZINC000277033143 1023712791 /nfs/dbraw/zinc/71/27/91/1023712791.db2.gz PVIAKJAJXPNSNC-CQSZACIVSA-N -1 0 341.379 3.959 20 0 EHADRM Cn1c(CN[C@@H](CC(=O)[O-])c2ccsc2)nc2ccc(Cl)cc21 ZINC000277053235 1023724570 /nfs/dbraw/zinc/72/45/70/1023724570.db2.gz SLVFSIJEFIKWGZ-ZDUSSCGKSA-N -1 0 349.843 3.594 20 0 EHADRM CC(C)(C)n1cc(/C=C/c2nc3ccc(C(=O)[O-])cc3s2)nn1 ZINC000431556091 1033166686 /nfs/dbraw/zinc/16/66/86/1033166686.db2.gz IUBZQNBRSOVEKS-FNORWQNLSA-N -1 0 328.397 3.511 20 0 EHADRM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C(=O)Nc1cccc(C)c1 ZINC000505412396 1023958534 /nfs/dbraw/zinc/95/85/34/1023958534.db2.gz AMVGLKLLGNYQAF-MRXNPFEDSA-N -1 0 341.798 3.626 20 0 EHADRM CC(C)(CN=c1[n-]nc(C2CC2)o1)c1cccc(C(F)(F)F)c1 ZINC000342101260 1024000436 /nfs/dbraw/zinc/00/04/36/1024000436.db2.gz WYXLORBXEPLVHU-UHFFFAOYSA-N -1 0 325.334 3.777 20 0 EHADRM Cc1cccc(NC(=O)c2c(C(C)C)[n-]n(-c3ccccc3)c2=O)c1 ZINC000505416862 1024007566 /nfs/dbraw/zinc/00/75/66/1024007566.db2.gz UUVISTIZZQJMOY-QGZVFWFLSA-N -1 0 335.407 3.609 20 0 EHADRM CC(C)COc1ccc(CC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000236667822 1024072033 /nfs/dbraw/zinc/07/20/33/1024072033.db2.gz CALVEVRKWXYWMN-QGZVFWFLSA-N -1 0 347.455 3.510 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(-c2ccccc2OC[C@@H]2CCOC2)cc1 ZINC000657204076 1024081192 /nfs/dbraw/zinc/08/11/92/1024081192.db2.gz KAMGITLYWYIFLP-HUUCEWRRSA-N -1 0 326.392 3.957 20 0 EHADRM Cc1ccc(CC(=O)[O-])c(-c2ccc(O[C@H]3CCOC3)c(C)c2)c1 ZINC000657204802 1024095789 /nfs/dbraw/zinc/09/57/89/1024095789.db2.gz LJZKAUXKGLVFDX-KRWDZBQOSA-N -1 0 326.392 3.765 20 0 EHADRM COC[C@@H](C)Oc1cccc(-c2cccc([C@@H]3C[C@H]3C(=O)[O-])c2)c1 ZINC000657205292 1024110999 /nfs/dbraw/zinc/11/09/99/1024110999.db2.gz IVIBMWIJYCSSFJ-ZNZDAUKMSA-N -1 0 326.392 3.955 20 0 EHADRM COC[C@H](C)Oc1cccc(-c2ccccc2[C@@H](OC)C(=O)[O-])c1 ZINC000657205356 1024111980 /nfs/dbraw/zinc/11/19/80/1024111980.db2.gz RRFXJCUJJPWTCP-SCLBCKFNSA-N -1 0 330.380 3.539 20 0 EHADRM CCC(CC)(C(=O)N=c1nc(C(C)(C)C)[n-]s1)c1ccccc1 ZINC000443911333 1024113874 /nfs/dbraw/zinc/11/38/74/1024113874.db2.gz UOVFVAJMXRIRPK-UHFFFAOYSA-N -1 0 331.485 3.954 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000191507955 1024114616 /nfs/dbraw/zinc/11/46/16/1024114616.db2.gz KREWGJZVKOEQOW-AWEZNQCLSA-N -1 0 335.419 3.546 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000522620580 1024119836 /nfs/dbraw/zinc/11/98/36/1024119836.db2.gz KPJBNKPDZNHKAA-UHFFFAOYSA-N -1 0 334.445 3.689 20 0 EHADRM COCCCOc1ccc(-c2ccc(O[C@H](C)C(=O)[O-])cc2)cc1 ZINC000657207478 1024130978 /nfs/dbraw/zinc/13/09/78/1024130978.db2.gz QVIJWJDWRBXQRU-CQSZACIVSA-N -1 0 330.380 3.621 20 0 EHADRM C[C@@H]1C[C@H]1[C@H](NC(=O)NCc1ncccc1O)c1ccc(Cl)cc1 ZINC000472001328 1024174657 /nfs/dbraw/zinc/17/46/57/1024174657.db2.gz HFKQZLNUNZWSTF-JDSLSITLSA-N -1 0 345.830 3.637 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N[C@H](C)CC(C)(C)c2ccccc2)s1 ZINC000520604497 1024214043 /nfs/dbraw/zinc/21/40/43/1024214043.db2.gz HTEALFVWROZZAM-CYBMUJFWSA-N -1 0 346.500 3.790 20 0 EHADRM O=C(Nc1ccc(-c2ccc[nH]2)cc1)c1nn(-c2ccccc2)cc1[O-] ZINC000342140253 1024221642 /nfs/dbraw/zinc/22/16/42/1024221642.db2.gz QALDTVDKYDYILR-UHFFFAOYSA-N -1 0 344.374 3.825 20 0 EHADRM CC(C)(NC(=O)c1sc2cc(Cl)ccc2c1Cl)C(=O)[O-] ZINC000040910175 1024222249 /nfs/dbraw/zinc/22/22/49/1024222249.db2.gz SLBQCERWKYALFH-UHFFFAOYSA-N -1 0 332.208 3.801 20 0 EHADRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cc2[nH]ccc2cc1C ZINC000434628928 1024227528 /nfs/dbraw/zinc/22/75/28/1024227528.db2.gz FWGZCQOMQCVBLI-UHFFFAOYSA-N -1 0 344.436 3.903 20 0 EHADRM CCc1oc2ccccc2c1CN(C)C(=O)CC1(C(=O)[O-])CCC1 ZINC000262342564 1024229361 /nfs/dbraw/zinc/22/93/61/1024229361.db2.gz AMNSQFSCIZGHJM-UHFFFAOYSA-N -1 0 329.396 3.599 20 0 EHADRM CCC(CC)(CC(=O)N[C@H](C)c1cccc(OC(F)F)c1)C(=O)[O-] ZINC000324148991 1024248424 /nfs/dbraw/zinc/24/84/24/1024248424.db2.gz BBPDKSSCCADLFJ-LLVKDONJSA-N -1 0 343.370 3.746 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C(C)(C)C1CCC(O)CC1 ZINC000909514283 1024272141 /nfs/dbraw/zinc/27/21/41/1024272141.db2.gz XTPHRHIHBFRQHU-UHFFFAOYSA-N -1 0 333.428 3.517 20 0 EHADRM O=C([N-]OC/C=C\Cl)/C(F)=C/c1ccc(F)c(C(F)(F)F)c1 ZINC001141763149 1024272394 /nfs/dbraw/zinc/27/23/94/1024272394.db2.gz IRGSRBZSUWBRGC-QEGCPGLASA-N -1 0 341.663 3.955 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2)sc1Br ZINC000094427035 1024306692 /nfs/dbraw/zinc/30/66/92/1024306692.db2.gz QOJMIFBOVYYVFC-UHFFFAOYSA-N -1 0 332.244 3.620 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)[C@H]2C[C@@]23CCc2ccccc23)cc1)C(=O)[O-] ZINC000192918031 1024288839 /nfs/dbraw/zinc/28/88/39/1024288839.db2.gz UDPFJKHONWJDHU-JSVDNDDVSA-N -1 0 349.430 3.792 20 0 EHADRM COc1ccc(S[C@@H](C)C(=O)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC000614630750 1024299301 /nfs/dbraw/zinc/29/93/01/1024299301.db2.gz AMCJTSCKUIZABO-LBPRGKRZSA-N -1 0 345.420 3.821 20 0 EHADRM CCC[C@H](CC1CCCC1)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000193003540 1024300180 /nfs/dbraw/zinc/30/01/80/1024300180.db2.gz WXFYQODIRXCYLL-CQSZACIVSA-N -1 0 335.448 3.638 20 0 EHADRM CC[C@@H]1CCC[C@H]1CNS(=O)(=O)c1cc2cc(F)ccc2o1 ZINC001211889358 1024310584 /nfs/dbraw/zinc/31/05/84/1024310584.db2.gz BDZUTDPOKPDDDK-NEPJUHHUSA-N -1 0 325.405 3.677 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2ccc3ccccc3n2)cc1C ZINC000520644501 1024327682 /nfs/dbraw/zinc/32/76/82/1024327682.db2.gz RCDGWSCYGLIISL-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000326743815 1024352093 /nfs/dbraw/zinc/35/20/93/1024352093.db2.gz JZQYQMIVNRXDPO-UHFFFAOYSA-N -1 0 339.322 3.781 20 0 EHADRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)c1cc(Cl)ccc1F ZINC000191524682 1024397889 /nfs/dbraw/zinc/39/78/89/1024397889.db2.gz FVWDBOLTVDQEEI-AWEZNQCLSA-N -1 0 349.789 3.685 20 0 EHADRM Cc1cc2occ(CC(=O)N[C@@H]3CC[C@H](C(=O)[O-])C3)c2cc1C(C)C ZINC000194494384 1024418310 /nfs/dbraw/zinc/41/83/10/1024418310.db2.gz SUAWTAJLGUNQCQ-DZGCQCFKSA-N -1 0 343.423 3.777 20 0 EHADRM CCCCOc1ccccc1CNCc1ccc(C(=O)[O-])c(C)n1 ZINC000277288981 1024470346 /nfs/dbraw/zinc/47/03/46/1024470346.db2.gz MHLXYDVXXKAKNN-UHFFFAOYSA-N -1 0 328.412 3.557 20 0 EHADRM C[C@H](CNC(=O)CCCc1ccc(Cl)c(Cl)c1)CC(=O)[O-] ZINC000262229956 1024471921 /nfs/dbraw/zinc/47/19/21/1024471921.db2.gz ONEOYOJQCSLTNB-JTQLQIEISA-N -1 0 332.227 3.543 20 0 EHADRM FC(F)(F)Cc1n[n-]c(=NCc2ccc(-c3ccccc3)o2)s1 ZINC000475048991 1024507825 /nfs/dbraw/zinc/50/78/25/1024507825.db2.gz VWEPXZLUYKLFHV-UHFFFAOYSA-N -1 0 339.342 3.937 20 0 EHADRM CCC(CC)(CC(=O)NCC1(c2ccc(OC)cc2)CCC1)C(=O)[O-] ZINC000342242210 1024521671 /nfs/dbraw/zinc/52/16/71/1024521671.db2.gz HEQIKTPBKFFLOS-UHFFFAOYSA-N -1 0 347.455 3.514 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccc(COC(C)C)cc1 ZINC000607614398 1033216980 /nfs/dbraw/zinc/21/69/80/1033216980.db2.gz GUYKIHUKDCQGEX-UHFFFAOYSA-N -1 0 325.455 3.782 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000277310035 1024545180 /nfs/dbraw/zinc/54/51/80/1024545180.db2.gz NJTKBHRPWQIKCJ-CQSZACIVSA-N -1 0 336.432 3.928 20 0 EHADRM CCN1C(=O)c2ccccc2N[C@H]1c1ccc(C(=O)[O-])cc1Cl ZINC000342256603 1024589917 /nfs/dbraw/zinc/58/99/17/1024589917.db2.gz PAVZLNCRHMSBFS-OAHLLOKOSA-N -1 0 330.771 3.625 20 0 EHADRM Cc1nc(C2CC2)ccc1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000909523031 1024605493 /nfs/dbraw/zinc/60/54/93/1024605493.db2.gz LABGGZSHXSMZDO-LBPRGKRZSA-N -1 0 338.407 3.783 20 0 EHADRM C[C@H](c1ccc(Cl)cc1Cl)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000514630762 1024607823 /nfs/dbraw/zinc/60/78/23/1024607823.db2.gz MWODUKLSHPSASK-NXEZZACHSA-N -1 0 341.242 3.758 20 0 EHADRM Cc1ccccc1CS(=O)(=O)[N-]c1noc2ccc(Cl)cc21 ZINC000427644517 1024647373 /nfs/dbraw/zinc/64/73/73/1024647373.db2.gz JDIRRIKOKIHBED-UHFFFAOYSA-N -1 0 336.800 3.732 20 0 EHADRM COc1cc(C(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)cc(OC)c1C ZINC000327371943 1024775146 /nfs/dbraw/zinc/77/51/46/1024775146.db2.gz SBBNOZFKLJVSAC-UHFFFAOYSA-N -1 0 343.379 3.580 20 0 EHADRM COc1ccc2c([N-]S(=O)(=O)c3ccc(C(C)C)cc3)noc2c1 ZINC000427766921 1024781997 /nfs/dbraw/zinc/78/19/97/1024781997.db2.gz BUOAMZUYZRVLHX-UHFFFAOYSA-N -1 0 346.408 3.761 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc3c(Cl)cccc3n2)c1 ZINC000508074488 1024887980 /nfs/dbraw/zinc/88/79/80/1024887980.db2.gz QLVDWVMTZOMTTF-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM O=S(=O)([N-]c1cc(C2CCCCC2)[nH]n1)c1ccc(F)c(F)c1 ZINC000474418675 1024923146 /nfs/dbraw/zinc/92/31/46/1024923146.db2.gz WOLUGVIGVDBNDK-UHFFFAOYSA-N -1 0 341.383 3.536 20 0 EHADRM COc1cccc2[nH]cc(CC(=O)Nc3cc(F)cc(Cl)c3[O-])c21 ZINC000474444760 1024978409 /nfs/dbraw/zinc/97/84/09/1024978409.db2.gz IUBYDHJIRNJIJI-UHFFFAOYSA-N -1 0 348.761 3.856 20 0 EHADRM O=C([O-])c1cc2cc(NC(=O)c3ccc(Cl)cn3)ccc2s1 ZINC000190900261 1025014749 /nfs/dbraw/zinc/01/47/49/1025014749.db2.gz MDFFRZFQYMUUCN-UHFFFAOYSA-N -1 0 332.768 3.900 20 0 EHADRM Cc1csc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)n1 ZINC000435720000 1025104208 /nfs/dbraw/zinc/10/42/08/1025104208.db2.gz SUEGETGHRDJZHO-UHFFFAOYSA-N -1 0 341.216 3.698 20 0 EHADRM Cc1noc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1C ZINC000435721777 1025105202 /nfs/dbraw/zinc/10/52/02/1025105202.db2.gz FIFAGNSFQRITEV-UHFFFAOYSA-N -1 0 339.175 3.538 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c(C)n1 ZINC000435722295 1025106916 /nfs/dbraw/zinc/10/69/16/1025106916.db2.gz MNBXLYQPPKZPJO-UHFFFAOYSA-N -1 0 349.214 3.945 20 0 EHADRM CC[C@](C)(NC(=O)NCC1(c2cccs2)CCCCC1)C(=O)[O-] ZINC000684736480 1025120946 /nfs/dbraw/zinc/12/09/46/1025120946.db2.gz SJGIUEXGVGWXBF-INIZCTEOSA-N -1 0 338.473 3.503 20 0 EHADRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)N[C@@H]1CC(C)(C)c2ccccc21 ZINC000684735802 1025125792 /nfs/dbraw/zinc/12/57/92/1025125792.db2.gz NMYIVBVROWQTSH-CVEARBPZSA-N -1 0 332.444 3.550 20 0 EHADRM Cc1oc(CN(C)[C@H](C)c2nc(-c3cccs3)no2)cc1C(=O)[O-] ZINC000582068080 1025166132 /nfs/dbraw/zinc/16/61/32/1025166132.db2.gz WBFWNXHGRQPTRT-SECBINFHSA-N -1 0 347.396 3.591 20 0 EHADRM O=C(N=c1ncn(C2CCCCC2)[n-]1)c1cc2cscc2s1 ZINC000529014460 1033264111 /nfs/dbraw/zinc/26/41/11/1033264111.db2.gz HTBMMYWSJHDVJJ-UHFFFAOYSA-N -1 0 332.454 3.734 20 0 EHADRM CC(C)Oc1ccc(NC(=O)N(CC(=O)[O-])C2CCCCC2)cc1 ZINC000684744588 1025199665 /nfs/dbraw/zinc/19/96/65/1025199665.db2.gz KASZIKSHPBQGLM-UHFFFAOYSA-N -1 0 334.416 3.725 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N[C@@H](C)c2cccc(C)c2C)s1 ZINC000522456301 1025216296 /nfs/dbraw/zinc/21/62/96/1025216296.db2.gz OXQSODYZAZFJTL-NSHDSACASA-N -1 0 336.486 3.572 20 0 EHADRM Cc1cc(NC(=O)N2CCCCC[C@H]2C(=O)[O-])ccc1OC(C)C ZINC000684748864 1025257519 /nfs/dbraw/zinc/25/75/19/1025257519.db2.gz RCWNWQQYNDFZLH-HNNXBMFYSA-N -1 0 334.416 3.643 20 0 EHADRM CCCn1c2ccccc2nc1NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000515486860 1025296220 /nfs/dbraw/zinc/29/62/20/1025296220.db2.gz QZGCVAOVDXLZIR-UHFFFAOYSA-N -1 0 343.427 3.666 20 0 EHADRM COc1ccc(C(=O)[O-])cc1NCc1ccc(SC)c(OC)c1 ZINC000521281663 1025302172 /nfs/dbraw/zinc/30/21/72/1025302172.db2.gz TYOBKOSGTWUWAT-UHFFFAOYSA-N -1 0 333.409 3.736 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000013442645 1025384309 /nfs/dbraw/zinc/38/43/09/1025384309.db2.gz YBHBPQGLHDNABL-UHFFFAOYSA-N -1 0 338.190 3.664 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1ccncc1Br ZINC000353897845 1025411191 /nfs/dbraw/zinc/41/11/91/1025411191.db2.gz RQWXYOVGCXPUEY-UHFFFAOYSA-N -1 0 345.555 3.595 20 0 EHADRM O=C([O-])C1CCC(C(=O)N2CCCC[C@H]2CCc2ccccc2)CC1 ZINC000684771345 1025411965 /nfs/dbraw/zinc/41/19/65/1025411965.db2.gz HNJPUMWNITXAJO-ACBHZAAOSA-N -1 0 343.467 3.891 20 0 EHADRM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000515621554 1025417612 /nfs/dbraw/zinc/41/76/12/1025417612.db2.gz PUSYSWJZEFNKKT-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2Cl)o1 ZINC000436150564 1025418735 /nfs/dbraw/zinc/41/87/35/1025418735.db2.gz CRLFPFRUZVMVDZ-UHFFFAOYSA-N -1 0 329.805 3.829 20 0 EHADRM CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000515631979 1025425637 /nfs/dbraw/zinc/42/56/37/1025425637.db2.gz JSVPGTMJXIZUSB-UHFFFAOYSA-N -1 0 341.379 3.863 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cscc2C(F)F)C1 ZINC000909488420 1025457018 /nfs/dbraw/zinc/45/70/18/1025457018.db2.gz RIXMIJRLIGZTLE-VIFPVBQESA-N -1 0 331.384 3.649 20 0 EHADRM CC(C)Oc1ccccc1[C@@H](C)NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000324388742 1025469043 /nfs/dbraw/zinc/46/90/43/1025469043.db2.gz PIRIOCMMVVWRNK-CQSZACIVSA-N -1 0 333.428 3.686 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])Cc1csc(Nc2ccc(C)cc2)n1 ZINC000442780191 1025470250 /nfs/dbraw/zinc/47/02/50/1025470250.db2.gz NOILZBHIRIFOLY-ZDUSSCGKSA-N -1 0 333.457 3.880 20 0 EHADRM CSc1ccc(NC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000582159754 1025473866 /nfs/dbraw/zinc/47/38/66/1025473866.db2.gz IMRULVKOYUECCO-HNNXBMFYSA-N -1 0 330.409 3.698 20 0 EHADRM CSc1ccccc1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442825008 1025502331 /nfs/dbraw/zinc/50/23/31/1025502331.db2.gz MIHICHJHLSYEKM-UHFFFAOYSA-N -1 0 348.371 3.623 20 0 EHADRM O=C(NCc1ccc(O)c(F)c1)[C@H](c1ccncc1)C1CCCC1 ZINC000896500673 1025506138 /nfs/dbraw/zinc/50/61/38/1025506138.db2.gz HPYXGQQCSAPCTH-SFHVURJKSA-N -1 0 328.387 3.517 20 0 EHADRM C[C@H](N=c1[n-]nc(C2CC2)o1)c1ccc(OCc2cccnc2)cc1 ZINC000582172538 1025526182 /nfs/dbraw/zinc/52/61/82/1025526182.db2.gz ASFRFPKPRXBETO-ZDUSSCGKSA-N -1 0 336.395 3.516 20 0 EHADRM COCc1cccc(S(=O)(=O)[N-]c2ccc(CCC(C)C)cn2)c1 ZINC000451109747 1025545864 /nfs/dbraw/zinc/54/58/64/1025545864.db2.gz YYRIKHDINRPXEJ-UHFFFAOYSA-N -1 0 348.468 3.617 20 0 EHADRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1scnc1C(C)C ZINC000451101343 1025560042 /nfs/dbraw/zinc/56/00/42/1025560042.db2.gz BSAGBJCCMYLQQY-UHFFFAOYSA-N -1 0 340.470 3.693 20 0 EHADRM O=C(c1cccc(Br)c1[O-])N1CCC[C@@H]1c1ccncc1 ZINC000521648039 1025560542 /nfs/dbraw/zinc/56/05/42/1025560542.db2.gz IOUUAMCWPLBCDF-CQSZACIVSA-N -1 0 347.212 3.527 20 0 EHADRM CSc1cccc(S(=O)(=O)[N-]c2scnc2C(C)C)c1 ZINC000451104718 1025569985 /nfs/dbraw/zinc/56/99/85/1025569985.db2.gz SFDORWRNCNOHHB-UHFFFAOYSA-N -1 0 328.484 3.789 20 0 EHADRM CC(C)C[C@@H](NC(=O)NC[C@H](C(=O)[O-])C1CCC1)c1cccs1 ZINC000665301637 1025637813 /nfs/dbraw/zinc/63/78/13/1025637813.db2.gz CARLESZLQCBCRI-UONOGXRCSA-N -1 0 338.473 3.635 20 0 EHADRM O=C(c1cccc(Br)c1[O-])N(CC1CC1)CC1CCC1 ZINC000530318717 1025649040 /nfs/dbraw/zinc/64/90/40/1025649040.db2.gz JLIOVZCAKFQOKU-UHFFFAOYSA-N -1 0 338.245 3.807 20 0 EHADRM O=C1CC[C@H](N=c2[n-]nc(-c3ccccc3Cl)s2)[C@@H](C2CC2)N1 ZINC000329217115 1025670809 /nfs/dbraw/zinc/67/08/09/1025670809.db2.gz PPORZFPDNUBGNN-GXTWGEPZSA-N -1 0 348.859 3.590 20 0 EHADRM Cc1ncc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)s1 ZINC000352323910 1025720681 /nfs/dbraw/zinc/72/06/81/1025720681.db2.gz LDSMANJXASAECK-UHFFFAOYSA-N -1 0 341.216 3.698 20 0 EHADRM CCCCN(C)c1ccc(C(=O)N=c2[n-]nc(C(C)(C)C)s2)cc1 ZINC000522838806 1025746025 /nfs/dbraw/zinc/74/60/25/1025746025.db2.gz XTOOHWJXDWBJDU-UHFFFAOYSA-N -1 0 346.500 3.746 20 0 EHADRM CCCC[C@H](NC(=O)C1(c2ccc(F)cc2)CCCCC1)C(=O)[O-] ZINC000347271928 1025779363 /nfs/dbraw/zinc/77/93/63/1025779363.db2.gz VUPNCHXJSONXFV-INIZCTEOSA-N -1 0 335.419 3.787 20 0 EHADRM O=C(c1ccc(F)cc1[O-])N1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000436509170 1025804703 /nfs/dbraw/zinc/80/47/03/1025804703.db2.gz DVSRMONOYAVCLL-CYBMUJFWSA-N -1 0 349.789 3.868 20 0 EHADRM CCOc1ccc(N(CC)C(=O)N=c2nc(C(C)(C)C)[n-]s2)cc1 ZINC000436501134 1025818099 /nfs/dbraw/zinc/81/80/99/1025818099.db2.gz BJALASYACNZAHQ-UHFFFAOYSA-N -1 0 348.472 3.715 20 0 EHADRM O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)c1cc(F)c([O-])c(F)c1 ZINC000436523659 1025825338 /nfs/dbraw/zinc/82/53/38/1025825338.db2.gz UZEMOXOASCKUNM-WPRPVWTQSA-N -1 0 337.288 3.769 20 0 EHADRM CCc1ccc(C(=O)[O-])cc1NCc1ccc(OCCOC)cc1 ZINC000582316124 1025832588 /nfs/dbraw/zinc/83/25/88/1025832588.db2.gz ZQDLEKLEMVGZBO-UHFFFAOYSA-N -1 0 329.396 3.585 20 0 EHADRM Cc1ccc([C@H]2CSCCN2C(=O)c2cc(F)ccc2O)cc1 ZINC000436545234 1025848990 /nfs/dbraw/zinc/84/89/90/1025848990.db2.gz RMQXJIJALORIDZ-MRXNPFEDSA-N -1 0 331.412 3.770 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCO[C@@H]2CCC[C@@H]21 ZINC000436549234 1025853669 /nfs/dbraw/zinc/85/36/69/1025853669.db2.gz VKSCBQZGWJEYDR-JKSUJKDBSA-N -1 0 331.799 3.592 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1cc(=O)[nH]c(C2CC2)n1)c1ccccc1 ZINC000522011988 1025873676 /nfs/dbraw/zinc/87/36/76/1025873676.db2.gz BDXDLKLLDVUPNH-MRXNPFEDSA-N -1 0 325.412 3.577 20 0 EHADRM Cc1cccnc1CNC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436569811 1025900929 /nfs/dbraw/zinc/90/09/29/1025900929.db2.gz JBVPQAJAQQVJIB-UHFFFAOYSA-N -1 0 326.783 3.832 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccccn2)s1)c1ccc(-c2ccccc2)o1 ZINC000342500965 1025921406 /nfs/dbraw/zinc/92/14/06/1025921406.db2.gz FCTGEJXIKROVCL-UHFFFAOYSA-N -1 0 348.387 3.534 20 0 EHADRM CC[C@H]1CO[C@@H](C)CN1C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436580152 1025922082 /nfs/dbraw/zinc/92/20/82/1025922082.db2.gz AJFQKHXLDJMRJM-RYUDHWBXSA-N -1 0 333.815 3.838 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CC[C@H](CC(F)(F)F)C1 ZINC000436602672 1025933114 /nfs/dbraw/zinc/93/31/14/1025933114.db2.gz KUOILIHDYGFNEV-SSDOTTSWSA-N -1 0 325.689 3.599 20 0 EHADRM CCc1cccc2c1OCC[C@H]2NC(=O)c1ccc([O-])c(Cl)c1 ZINC000436626348 1025955380 /nfs/dbraw/zinc/95/53/80/1025955380.db2.gz HIBOLOSLJPAGLU-OAHLLOKOSA-N -1 0 331.799 3.862 20 0 EHADRM O=C(CCc1cccc(Cl)c1)N=c1nc(-c2ccccc2)[n-]s1 ZINC000614689279 1025972499 /nfs/dbraw/zinc/97/24/99/1025972499.db2.gz QPYMRCLOIOUGJR-UHFFFAOYSA-N -1 0 343.839 3.852 20 0 EHADRM CC(C)c1cccnc1[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000443409731 1025988117 /nfs/dbraw/zinc/98/81/17/1025988117.db2.gz LMLMTOZMHVHXKW-UHFFFAOYSA-N -1 0 327.409 3.554 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H]2CCc3cc(C)ccc3O2)c1 ZINC000436648915 1026000839 /nfs/dbraw/zinc/00/08/39/1026000839.db2.gz NOIQRJLEJXWKLC-LJQANCHMSA-N -1 0 339.391 3.626 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2nc(-c3cccc(C)c3)[nH]c2C)c1 ZINC000436681192 1026034686 /nfs/dbraw/zinc/03/46/86/1026034686.db2.gz QSLLWNLDFCNBLY-UHFFFAOYSA-N -1 0 349.390 3.854 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2cccc(CC(F)(F)F)c2)[C@H](C(=O)[O-])C1 ZINC000516139980 1026041942 /nfs/dbraw/zinc/04/19/42/1026041942.db2.gz VEALHYKXWNZBAI-GWCFXTLKSA-N -1 0 344.333 3.508 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCCc3ccccc32)c(F)c1 ZINC000075040220 1026061909 /nfs/dbraw/zinc/06/19/09/1026061909.db2.gz LJGSIXQASWNUCW-HNNXBMFYSA-N -1 0 347.411 3.899 20 0 EHADRM Cc1cc2[nH]c(C(=O)N3[C@@H]4CCCC[C@@H]4C[C@H]3C(=O)[O-])cc2c(C)c1 ZINC000262307377 1026087063 /nfs/dbraw/zinc/08/70/63/1026087063.db2.gz MNOZUTVCAHRSRN-XWIAVFTESA-N -1 0 340.423 3.643 20 0 EHADRM O=C(Nc1ccc2nnc(C3CCC3)n2c1)c1cc(Cl)ccc1[O-] ZINC000436745789 1026116570 /nfs/dbraw/zinc/11/65/70/1026116570.db2.gz BLAFSAGPULSCIN-UHFFFAOYSA-N -1 0 342.786 3.608 20 0 EHADRM Cc1nc(CCNC(=O)c2cc(Cl)c3ccccc3c2[O-])cs1 ZINC000436733884 1026125417 /nfs/dbraw/zinc/12/54/17/1026125417.db2.gz YQYZTJMYMFRYIN-UHFFFAOYSA-N -1 0 346.839 3.936 20 0 EHADRM COc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(CCCl)cc1 ZINC000048401548 1026130232 /nfs/dbraw/zinc/13/02/32/1026130232.db2.gz QLVWOPCAONVKJX-UHFFFAOYSA-N -1 0 339.844 3.586 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1Br ZINC000128292692 1026153031 /nfs/dbraw/zinc/15/30/31/1026153031.db2.gz XRKGVDTWBPLRMT-RKDXNWHRSA-N -1 0 346.608 3.542 20 0 EHADRM CCC(CC)N(C(=O)N=c1nc(-c2ccccc2)[n-]s1)C1CC1 ZINC000530708013 1026218098 /nfs/dbraw/zinc/21/80/98/1026218098.db2.gz FRDCNIWTZZMZMS-UHFFFAOYSA-N -1 0 330.457 3.812 20 0 EHADRM CCSc1ccc(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000342552016 1026251975 /nfs/dbraw/zinc/25/19/75/1026251975.db2.gz YHPDGDBAYRYTGO-IBGZPJMESA-N -1 0 343.448 3.571 20 0 EHADRM O=C(N=c1cc2ccccn2[nH]1)N1CCC[C@H](c2ccccc2)CC1 ZINC000582438843 1026252854 /nfs/dbraw/zinc/25/28/54/1026252854.db2.gz NCJPCOYEQWGJEE-KRWDZBQOSA-N -1 0 334.423 3.558 20 0 EHADRM CO[C@@H](CNC(=O)c1ccc(C(F)(F)F)c(O)c1)c1ccccc1 ZINC000684874583 1026275920 /nfs/dbraw/zinc/27/59/20/1026275920.db2.gz RCGCAPPEHFMJOB-HNNXBMFYSA-N -1 0 339.313 3.529 20 0 EHADRM CCc1cccc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)nc2)c1 ZINC000530956790 1026443216 /nfs/dbraw/zinc/44/32/16/1026443216.db2.gz JQPMYLJZFAFKOD-UHFFFAOYSA-N -1 0 339.420 3.507 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(C)[C@@H](C)C(C)(C)C)n1 ZINC000530954832 1026444206 /nfs/dbraw/zinc/44/42/06/1026444206.db2.gz RENJAMUEZRIWGW-LBPRGKRZSA-N -1 0 333.407 3.532 20 0 EHADRM Cc1ccc(-c2ccc(C)c(NC(=O)N=c3[n-]nc(C)s3)c2)o1 ZINC000431433303 1026462551 /nfs/dbraw/zinc/46/25/51/1026462551.db2.gz TYQSFVLIIPVJGO-UHFFFAOYSA-N -1 0 328.397 3.789 20 0 EHADRM COc1ccc(C(=O)[O-])cc1NCc1ccccc1OC(F)(F)F ZINC000325039825 1026528720 /nfs/dbraw/zinc/52/87/20/1026528720.db2.gz LWGWVUDCQHSCRL-UHFFFAOYSA-N -1 0 341.285 3.904 20 0 EHADRM C[C@H](CC(=O)NCCCCCCCC(=O)[O-])c1ccc(F)cc1F ZINC000277680866 1026535659 /nfs/dbraw/zinc/53/56/59/1026535659.db2.gz OSORWVKZUDCMCZ-CYBMUJFWSA-N -1 0 341.398 4.000 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)N3C[C@H](C)CC3(C)C)cc2)cc(=O)[nH]1 ZINC000531102731 1026570509 /nfs/dbraw/zinc/57/05/09/1026570509.db2.gz KATJSDVQSHOMIS-GFCCVEGCSA-N -1 0 340.427 3.810 20 0 EHADRM CC(C)[C@H](C)C(=O)Nc1ccc(C(=O)NC2CCCCC2)c(O)c1 ZINC000444350633 1026620264 /nfs/dbraw/zinc/62/02/64/1026620264.db2.gz HQORENHQFZZLSG-ZDUSSCGKSA-N -1 0 332.444 3.685 20 0 EHADRM CC(C)Cn1ccc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)n1 ZINC000897272410 1026639487 /nfs/dbraw/zinc/63/94/87/1026639487.db2.gz FFIQLVAIQNAYJQ-UHFFFAOYSA-N -1 0 328.199 3.804 20 0 EHADRM CC[C@](C)(CC(=O)[O-])C(=O)Nc1cc(-c2nc(C)co2)ccc1C ZINC000634825188 1026640286 /nfs/dbraw/zinc/64/02/86/1026640286.db2.gz MOMYFNJOGSYECT-GOSISDBHSA-N -1 0 330.384 3.788 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])C(=O)Nc1cc(-c2nc(C)co2)ccc1C ZINC000634825189 1026640693 /nfs/dbraw/zinc/64/06/93/1026640693.db2.gz MOMYFNJOGSYECT-SFHVURJKSA-N -1 0 330.384 3.788 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N(C)[C@@H](C)C(C)(C)C)n1 ZINC000531228018 1026692962 /nfs/dbraw/zinc/69/29/62/1026692962.db2.gz PDCZISBQJIJZHE-ZDUSSCGKSA-N -1 0 329.444 3.647 20 0 EHADRM O=C([O-])c1coc(N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)n1 ZINC000582610346 1026752923 /nfs/dbraw/zinc/75/29/23/1026752923.db2.gz WEOPJFSUWFWYNS-GFCCVEGCSA-N -1 0 326.274 3.955 20 0 EHADRM CC12C[C@H]3C[C@@H](C1)CC(C(=O)NCCc1ccccc1C(=O)[O-])(C3)C2 ZINC000326982871 1026873071 /nfs/dbraw/zinc/87/30/71/1026873071.db2.gz WGEZNODBKHSKBH-XFKLWTPLSA-N -1 0 341.451 3.650 20 0 EHADRM COCCc1nc(=N[C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)s[n-]1 ZINC000413513809 1026874040 /nfs/dbraw/zinc/87/40/40/1026874040.db2.gz IXVVMJUUAJDSLF-OCCSQVGLSA-N -1 0 337.876 3.551 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)Cc2csc3ccccc23)C1 ZINC000262146527 1026891849 /nfs/dbraw/zinc/89/18/49/1026891849.db2.gz AZMVGHUIIWHLOS-ZDUSSCGKSA-N -1 0 331.437 3.547 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)CCCC(C)(C)C ZINC000582669671 1026905583 /nfs/dbraw/zinc/90/55/83/1026905583.db2.gz BIAONRAOXVCABR-UHFFFAOYSA-N -1 0 327.446 3.570 20 0 EHADRM C[C@H](C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000564977539 1026906236 /nfs/dbraw/zinc/90/62/36/1026906236.db2.gz GAIYNFCMEHXVSX-JBLDHEPKSA-N -1 0 344.238 3.666 20 0 EHADRM O=C(c1cc(Br)c(F)cc1[O-])N1CC[C@H](C2CCC2)C1 ZINC000665685067 1026976479 /nfs/dbraw/zinc/97/64/79/1026976479.db2.gz ORMDDTJCEUTLTG-JTQLQIEISA-N -1 0 342.208 3.556 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc(SC)cc2)cc1C ZINC000342777640 1027017154 /nfs/dbraw/zinc/01/71/54/1027017154.db2.gz JEUPZAYTWCQPAN-LLVKDONJSA-N -1 0 339.486 3.685 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)C1CC(c2cccc(F)c2)C1 ZINC000531551171 1027017835 /nfs/dbraw/zinc/01/78/35/1027017835.db2.gz HQULJLSODKQJJU-UHFFFAOYSA-N -1 0 347.393 3.837 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCCc2cccc(Cl)c2Cl)cc1 ZINC000531748743 1027304761 /nfs/dbraw/zinc/30/47/61/1027304761.db2.gz XAABBMCMFQYOQO-UHFFFAOYSA-N -1 0 338.190 3.664 20 0 EHADRM CCCCCc1cc(C(=O)Nc2cc(Cl)c([O-])cc2F)n[nH]1 ZINC000614828358 1027372347 /nfs/dbraw/zinc/37/23/47/1027372347.db2.gz GXVXNNKYYVSXBU-UHFFFAOYSA-N -1 0 325.771 3.893 20 0 EHADRM Cc1ccccc1[C@H]1CCN(C(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000273359804 1027393541 /nfs/dbraw/zinc/39/35/41/1027393541.db2.gz ZYQVOPUNUOXSCR-NSHDSACASA-N -1 0 335.325 3.748 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2ccc(F)cc2OCC2CC2)CCCC1 ZINC000077411231 1027437609 /nfs/dbraw/zinc/43/76/09/1027437609.db2.gz IKIFXJWNWADIGO-UHFFFAOYSA-N -1 0 349.402 3.978 20 0 EHADRM CCc1nc(=N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)s[n-]1 ZINC000582741873 1027452876 /nfs/dbraw/zinc/45/28/76/1027452876.db2.gz IOEPANNYTNKYMR-OAHLLOKOSA-N -1 0 344.871 3.967 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)N=c2cc(C)c(C)n[n-]2)cc1 ZINC000467483745 1027453475 /nfs/dbraw/zinc/45/34/75/1027453475.db2.gz PRFFACBZJSJJBN-ZDUSSCGKSA-N -1 0 330.457 3.510 20 0 EHADRM CCS(=O)(=O)[N-]c1nc(-c2ccccc2C(F)(F)F)cs1 ZINC000130078701 1027629839 /nfs/dbraw/zinc/62/98/39/1027629839.db2.gz YPBNVVRRBGPXFE-UHFFFAOYSA-N -1 0 336.360 3.591 20 0 EHADRM O=C(N=c1cc(-c2ccc(Cl)s2)[nH][nH]1)[C@H]1CCCC(F)(F)C1 ZINC000503543826 1027863413 /nfs/dbraw/zinc/86/34/13/1027863413.db2.gz TXUXGMUJBLBXER-QMMMGPOBSA-N -1 0 345.802 3.978 20 0 EHADRM CSc1ccccc1[C@@H](C)NC(=O)N([C@H](C)C(=O)[O-])C1CCC1 ZINC000929051909 1028030480 /nfs/dbraw/zinc/03/04/80/1028030480.db2.gz PPBGJBAXSRDRPM-VXGBXAGGSA-N -1 0 336.457 3.507 20 0 EHADRM CC(C)(C)OC(=O)Nc1cnc(Nc2cc(F)c(O)c(F)c2)cn1 ZINC001213375334 1028072462 /nfs/dbraw/zinc/07/24/62/1028072462.db2.gz XNVSXXIGOWHBBH-UHFFFAOYSA-N -1 0 338.314 3.551 20 0 EHADRM CCc1nn(C)cc1[N-]S(=O)(=O)c1c(C)sc2c1cccc2C ZINC000421144438 1028130403 /nfs/dbraw/zinc/13/04/03/1028130403.db2.gz BQGMLKCQVAYPNH-UHFFFAOYSA-N -1 0 349.481 3.615 20 0 EHADRM Cc1ccc(-c2ncco2)cc1NS(=O)(=O)c1cc(F)ccc1C ZINC000134683155 1028137507 /nfs/dbraw/zinc/13/75/07/1028137507.db2.gz SVVBTQCKLOYBHN-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM CCCN(C(=O)c1ccc(Cl)c(Cl)c1[O-])[C@@H](C)C(=O)OCC ZINC000444674787 1028144928 /nfs/dbraw/zinc/14/49/28/1028144928.db2.gz PZXXRIUFGFAKKF-VIFPVBQESA-N -1 0 348.226 3.503 20 0 EHADRM CCn1cc([N-]S(=O)(=O)c2c(C)sc3c2cccc3C)cn1 ZINC000421148473 1028151681 /nfs/dbraw/zinc/15/16/81/1028151681.db2.gz DTWNHIJPHNBMHN-UHFFFAOYSA-N -1 0 335.454 3.535 20 0 EHADRM Cc1cc(Nc2cc(Cl)cc(C(=O)[O-])c2)n(-c2ccccn2)n1 ZINC001211958317 1028166563 /nfs/dbraw/zinc/16/65/63/1028166563.db2.gz KPPGKAHFXFPBSP-UHFFFAOYSA-N -1 0 328.759 3.671 20 0 EHADRM Cc1cc(C)cc([C@H](C)NC(=O)N=c2[n-]nc(C(C)(C)C)s2)c1 ZINC000504016326 1028335457 /nfs/dbraw/zinc/33/54/57/1028335457.db2.gz FKDBRZPUJUTFTC-LBPRGKRZSA-N -1 0 332.473 3.757 20 0 EHADRM [O-]c1nnn(-c2ccccc2)c1CN1CCC[C@@H]1/C=C/c1ccccc1 ZINC000504019342 1028341151 /nfs/dbraw/zinc/34/11/51/1028341151.db2.gz GKKHBMUUCMGBHI-KAUXGEHWSA-N -1 0 346.434 3.651 20 0 EHADRM Oc1cccc(CN2CCOC[C@H]2c2ccccc2)c1Br ZINC000459375081 1028349966 /nfs/dbraw/zinc/34/99/66/1028349966.db2.gz MBDORLUBKUTECU-HNNXBMFYSA-N -1 0 348.240 3.728 20 0 EHADRM CC[C@H](C)c1cc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)on1 ZINC000139263633 1028383136 /nfs/dbraw/zinc/38/31/36/1028383136.db2.gz QFKZWWMNUDZMOI-GXTWGEPZSA-N -1 0 330.384 3.524 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])C(=O)Nc1cccc(C)c1Br ZINC000634829607 1028421723 /nfs/dbraw/zinc/42/17/23/1028421723.db2.gz BLODRVHRKBYOQF-AWEZNQCLSA-N -1 0 328.206 3.587 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2ccc(C(=O)CCCO)cc2)c1 ZINC001211969603 1028438757 /nfs/dbraw/zinc/43/87/57/1028438757.db2.gz RRXWNVQJWGJXKH-UHFFFAOYSA-N -1 0 333.771 3.737 20 0 EHADRM O=C(N=c1[n-]nc(SCc2ccccc2)s1)NCC1CCCC1 ZINC000513751049 1028551616 /nfs/dbraw/zinc/55/16/16/1028551616.db2.gz VMNRVJBATZWHBS-UHFFFAOYSA-N -1 0 348.497 3.564 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000236664300 1028558481 /nfs/dbraw/zinc/55/84/81/1028558481.db2.gz NGZOXXFNEPYKEK-LBPRGKRZSA-N -1 0 345.361 3.768 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000236678396 1028562882 /nfs/dbraw/zinc/56/28/82/1028562882.db2.gz XNPBAROWMMBJOJ-MSOLQXFVSA-N -1 0 325.408 3.513 20 0 EHADRM CCC[C@](C)(NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000236826870 1028590372 /nfs/dbraw/zinc/59/03/72/1028590372.db2.gz BRFVJMDBZVRDAI-GDLVEWKHSA-N -1 0 344.238 3.857 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)N(CC(C)C)CC(C)(C)C)cc2=O)cc1 ZINC000162341932 1028618720 /nfs/dbraw/zinc/61/87/20/1028618720.db2.gz NMJPPDAXAZTJRN-UHFFFAOYSA-N -1 0 343.471 3.618 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc(OC2CCCCC2)cc1 ZINC000237063057 1028620136 /nfs/dbraw/zinc/62/01/36/1028620136.db2.gz FGDWDBCKPOEVPW-CQSZACIVSA-N -1 0 333.428 3.723 20 0 EHADRM Cc1cc(C)n(-c2cccc(NC(=O)c3ccc(C(=O)[O-])s3)c2)n1 ZINC000237706953 1028661530 /nfs/dbraw/zinc/66/15/30/1028661530.db2.gz IBXUSZHISRFKEL-UHFFFAOYSA-N -1 0 341.392 3.501 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccc3[nH]c(-c4ccco4)nc3c2)c1 ZINC000238064300 1028676019 /nfs/dbraw/zinc/67/60/19/1028676019.db2.gz XXVIYJSTJOEJHG-UHFFFAOYSA-N -1 0 347.330 3.773 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C[C@H]2CCOc3ccccc32)cc1Cl ZINC000238170018 1028680212 /nfs/dbraw/zinc/68/02/12/1028680212.db2.gz DBZNEFDSUPWQQF-LLVKDONJSA-N -1 0 345.782 3.933 20 0 EHADRM Cc1n[n-]c(=NC(=O)N2CCCC[C@@H]2CCCc2ccccc2)s1 ZINC000502823062 1028726776 /nfs/dbraw/zinc/72/67/76/1028726776.db2.gz DSZHCMDNWMHYEA-MRXNPFEDSA-N -1 0 344.484 3.678 20 0 EHADRM O=S(=O)(N[C@H]1CCCc2c(F)cccc21)c1sccc1Cl ZINC001212021355 1028727902 /nfs/dbraw/zinc/72/79/02/1028727902.db2.gz OZXLCHQELFZTMA-ZDUSSCGKSA-N -1 0 345.848 3.897 20 0 EHADRM Cc1cc2occ(CC(=O)NC[C@H](C)CC(=O)[O-])c2cc1C(C)C ZINC000262225581 1028737546 /nfs/dbraw/zinc/73/75/46/1028737546.db2.gz NMKOPWQLLLQJEZ-GFCCVEGCSA-N -1 0 331.412 3.634 20 0 EHADRM Cc1ncc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c(C2CC2)n1 ZINC000532744832 1028763761 /nfs/dbraw/zinc/76/37/61/1028763761.db2.gz FDQNUIHHLONNAL-UHFFFAOYSA-N -1 0 345.468 3.761 20 0 EHADRM O=C(Nc1cc(Br)cc(Cl)c1[O-])[C@]12C[C@H]1CCC2 ZINC000421789576 1028797267 /nfs/dbraw/zinc/79/72/67/1028797267.db2.gz BACTWPOYBQYETA-FUXBKTLASA-N -1 0 330.609 3.937 20 0 EHADRM COc1ccc(CN=c2[n-]nc(-c3cccs3)o2)c2ccccc12 ZINC000583112558 1028855005 /nfs/dbraw/zinc/85/50/05/1028855005.db2.gz UYVUTFOMHLERMN-UHFFFAOYSA-N -1 0 337.404 3.994 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]c1ccccc1OCC(F)(F)F ZINC000390214592 1028873631 /nfs/dbraw/zinc/87/36/31/1028873631.db2.gz YTUAQZCLMHNFPR-UHFFFAOYSA-N -1 0 345.342 3.737 20 0 EHADRM COCc1cc(Cl)ccc1NC(=O)[C@@](C)(CC(=O)[O-])CC(C)C ZINC000634843565 1028893310 /nfs/dbraw/zinc/89/33/10/1028893310.db2.gz PYJRGAWMNLEZOJ-QGZVFWFLSA-N -1 0 341.835 3.952 20 0 EHADRM COc1ccc2sc(C(=O)N3CCC[C@@H](C)[C@H]3C(=O)[O-])c(C)c2c1 ZINC000424256135 1028913812 /nfs/dbraw/zinc/91/38/12/1028913812.db2.gz MFYOYPOTLSQBJP-BMIGLBTASA-N -1 0 347.436 3.544 20 0 EHADRM C[C@@H](CC(=O)N=c1nc(C(C)(C)C)[n-]s1)c1ccc(F)cc1F ZINC000502986304 1028926769 /nfs/dbraw/zinc/92/67/69/1028926769.db2.gz XMDNPFCRPDFSSO-VIFPVBQESA-N -1 0 339.411 3.668 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CCC[C@@H](CC(F)(F)F)C1 ZINC000421972663 1028972136 /nfs/dbraw/zinc/97/21/36/1028972136.db2.gz VGALMUGTUVAYBO-QMMMGPOBSA-N -1 0 339.716 3.989 20 0 EHADRM CC(C)(CCNC(=O)Nc1cccc(C(F)F)c1Cl)C(=O)[O-] ZINC000424381634 1029037111 /nfs/dbraw/zinc/03/71/11/1029037111.db2.gz MYYOIKDJVGYAQJ-UHFFFAOYSA-N -1 0 334.750 3.900 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)C(C)(C)c2ccccc2Cl)s[n-]1 ZINC000504905535 1029049891 /nfs/dbraw/zinc/04/98/91/1029049891.db2.gz JVBMYGBQIYWLKI-UHFFFAOYSA-N -1 0 337.876 3.827 20 0 EHADRM CC(C)C[C@H](CNC(=O)N(C)Cc1csc2ccccc12)C(=O)[O-] ZINC000424425475 1029052296 /nfs/dbraw/zinc/05/22/96/1029052296.db2.gz QRCDBHUWPSULAN-CYBMUJFWSA-N -1 0 348.468 3.790 20 0 EHADRM CC(C)C[C@@](C)(CC(=O)[O-])C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000634857762 1029064780 /nfs/dbraw/zinc/06/47/80/1029064780.db2.gz GRIUONASLDPWEG-SFHVURJKSA-N -1 0 329.400 3.542 20 0 EHADRM Cc1ccccc1[C@@H]1CCCN1C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000424424970 1029070149 /nfs/dbraw/zinc/07/01/49/1029070149.db2.gz PTCHJMUSAFGBHY-WBVHZDCISA-N -1 0 332.444 3.588 20 0 EHADRM CCCC[C@H]1CCC[C@H]1NC(=O)N=c1[n-]nc(SCC)s1 ZINC000524366175 1029102144 /nfs/dbraw/zinc/10/21/44/1029102144.db2.gz RTJQEJPQTGROKE-WDEREUQCSA-N -1 0 328.507 3.552 20 0 EHADRM C[C@](CC(=O)NC[C@@H]1C[C@H]1C1CCC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000424528985 1029110054 /nfs/dbraw/zinc/11/00/54/1029110054.db2.gz FSZNSJAHSJEWCW-IYJAJMOOSA-N -1 0 349.858 3.625 20 0 EHADRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1 ZINC000533009203 1029192946 /nfs/dbraw/zinc/19/29/46/1029192946.db2.gz LBXIPBPNQRHUAY-UHFFFAOYSA-N -1 0 334.441 3.595 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)ccc1O)c1ccc(Cl)cc1F ZINC000524473704 1029223088 /nfs/dbraw/zinc/22/30/88/1029223088.db2.gz AKIGGZFSRQDLLA-UHFFFAOYSA-N -1 0 336.171 3.639 20 0 EHADRM COCc1c2ccccc2oc1C(=O)NCCCCCCCC(=O)[O-] ZINC000271950090 1029243220 /nfs/dbraw/zinc/24/32/20/1029243220.db2.gz JAYSGDVHUOJTJM-UHFFFAOYSA-N -1 0 347.411 3.734 20 0 EHADRM O=C(c1cc(Cl)c2ccccc2c1[O-])N1CC[C@@H]1C(F)(F)F ZINC000615029875 1029270359 /nfs/dbraw/zinc/27/03/59/1029270359.db2.gz LIMRNTPBDXXGHD-GFCCVEGCSA-N -1 0 329.705 3.976 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CCCOCc2ccccc2)c1 ZINC000272063080 1029295971 /nfs/dbraw/zinc/29/59/71/1029295971.db2.gz GRTLVEWUFIQZBG-UHFFFAOYSA-N -1 0 327.380 3.530 20 0 EHADRM Cc1cccc(C(=O)/C(C#N)=C\c2cccc(O[C@H](C)C(=O)[O-])c2)c1C ZINC000067735270 1029318955 /nfs/dbraw/zinc/31/89/55/1029318955.db2.gz QYUWFRNVYYFNNN-DISPHTKASA-N -1 0 349.386 3.945 20 0 EHADRM CCc1ncsc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000161970650 1029325876 /nfs/dbraw/zinc/32/58/76/1029325876.db2.gz HGRANKOHZPZGSX-UHFFFAOYSA-N -1 0 337.253 3.813 20 0 EHADRM COc1cc(NC(=O)COc2cccc(C(C)C)c2)ccc1C(=O)[O-] ZINC000262257875 1029350467 /nfs/dbraw/zinc/35/04/67/1029350467.db2.gz QXMFVUZWVVATHR-UHFFFAOYSA-N -1 0 343.379 3.534 20 0 EHADRM CCc1ncsc1[N-]S(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000162021618 1029413024 /nfs/dbraw/zinc/41/30/24/1029413024.db2.gz LWHMPFPHXSJEAY-UHFFFAOYSA-N -1 0 340.470 3.602 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000533197154 1029440879 /nfs/dbraw/zinc/44/08/79/1029440879.db2.gz KWUUUTHRFIOQII-HZPDHXFCSA-N -1 0 347.455 3.599 20 0 EHADRM CCc1oc(C(=O)N2CC[C@H](C)C3(CCCCC3)C2)cc1C(=O)[O-] ZINC000261649411 1029468520 /nfs/dbraw/zinc/46/85/20/1029468520.db2.gz MHTLBZKAYGTFES-ZDUSSCGKSA-N -1 0 333.428 3.973 20 0 EHADRM CCc1oc(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)cc1C(=O)[O-] ZINC000261616665 1029475451 /nfs/dbraw/zinc/47/54/51/1029475451.db2.gz GUXBROBLRDTSCJ-GOEBONIOSA-N -1 0 341.407 3.996 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2Cc2cccc(F)c2)c(F)c1 ZINC000262415019 1029591077 /nfs/dbraw/zinc/59/10/77/1029591077.db2.gz PSILKFSDEGDVDA-HNNXBMFYSA-N -1 0 345.345 3.510 20 0 EHADRM O=C([O-])C1(CC(=O)N[C@@H]2CCCC[C@@H]2Cc2ccccc2)CCC1 ZINC000262468722 1029595883 /nfs/dbraw/zinc/59/58/83/1029595883.db2.gz GPUZUSFGEHJRMO-IAGOWNOFSA-N -1 0 329.440 3.549 20 0 EHADRM C[C@H](CC(=O)N([C@@H](C)C(=O)[O-])C1CC1)c1ccccc1C(F)(F)F ZINC000262578214 1029608088 /nfs/dbraw/zinc/60/80/88/1029608088.db2.gz DZPJJROIFIKHMM-MNOVXSKESA-N -1 0 343.345 3.663 20 0 EHADRM C[C@@H](Cc1cccc(Cl)c1)C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000262863174 1029646387 /nfs/dbraw/zinc/64/63/87/1029646387.db2.gz DPVIFJJHVHQDTO-ZDUSSCGKSA-N -1 0 345.826 3.576 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)c1[nH]c2ccc(F)cc2c1Cl ZINC000262947850 1029652721 /nfs/dbraw/zinc/65/27/21/1029652721.db2.gz LBUBBPQOBIUQJO-INIZCTEOSA-N -1 0 340.782 3.580 20 0 EHADRM Cc1oc(C(C)C)cc1C(=O)N(CC(=O)[O-])Cc1ccc(F)cc1 ZINC000262964171 1029653381 /nfs/dbraw/zinc/65/33/81/1029653381.db2.gz OBTGRVPGVJTHQR-UHFFFAOYSA-N -1 0 333.359 3.578 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)CCCOc2ccccc2F)c1 ZINC000263051638 1029660548 /nfs/dbraw/zinc/66/05/48/1029660548.db2.gz DWWZPXMPXLZRQP-CYBMUJFWSA-N -1 0 345.370 3.812 20 0 EHADRM C[C@@H](CN(C)C(=O)Nc1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000263044880 1029660911 /nfs/dbraw/zinc/66/09/11/1029660911.db2.gz MLKITBJVIBMLAA-ZETCQYMHSA-N -1 0 338.713 3.543 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2ccnc3ccc(Br)cc32)C1 ZINC000263152115 1029670110 /nfs/dbraw/zinc/67/01/10/1029670110.db2.gz HOEXJVUEWATCPM-MNOVXSKESA-N -1 0 349.228 3.544 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)C2(c3cccc(F)c3)CCC2)cc1F ZINC000263179186 1029671971 /nfs/dbraw/zinc/67/19/71/1029671971.db2.gz KBSZOXWIPYCVGA-UHFFFAOYSA-N -1 0 345.345 3.652 20 0 EHADRM Cc1ccc(CCC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)c(C)c1 ZINC000263217962 1029675911 /nfs/dbraw/zinc/67/59/11/1029675911.db2.gz OLROAIYXZLFWMF-UHFFFAOYSA-N -1 0 329.371 3.641 20 0 EHADRM CCC[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000263257317 1029680921 /nfs/dbraw/zinc/68/09/21/1029680921.db2.gz VYCLGGFSTQONLW-KURKYZTESA-N -1 0 325.408 3.560 20 0 EHADRM CN(C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-])C1CCCCCC1 ZINC000665929244 1029683199 /nfs/dbraw/zinc/68/31/99/1029683199.db2.gz MYQCLLBAJIAWKK-UHFFFAOYSA-N -1 0 349.381 3.651 20 0 EHADRM CC[C@@H](Oc1ccccc1F)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000263335602 1029689621 /nfs/dbraw/zinc/68/96/21/1029689621.db2.gz QVSWJXFHDPHMRM-MLGOLLRUSA-N -1 0 345.370 3.810 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N(Cc2ccsc2)c2ccccc2)C1 ZINC000263359620 1029690830 /nfs/dbraw/zinc/69/08/30/1029690830.db2.gz YANIEYSWFKQNJT-LSDHHAIUSA-N -1 0 329.421 3.782 20 0 EHADRM Cc1sc(C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])cc1-c1ccc(F)cc1 ZINC000263391990 1029693265 /nfs/dbraw/zinc/69/32/65/1029693265.db2.gz CYZYCDRFHJVAAN-ZJUUUORDSA-N -1 0 335.400 3.702 20 0 EHADRM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1cc(C(=O)[O-])ccn1 ZINC000263378935 1029693481 /nfs/dbraw/zinc/69/34/81/1029693481.db2.gz CAQBAXHNUJTCSE-VXGBXAGGSA-N -1 0 346.814 3.697 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000263439212 1029697561 /nfs/dbraw/zinc/69/75/61/1029697561.db2.gz VTADEKJHPZHTCQ-AWEZNQCLSA-N -1 0 336.844 3.903 20 0 EHADRM O=C([O-])CCCNC(=O)N1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000263496127 1029703421 /nfs/dbraw/zinc/70/34/21/1029703421.db2.gz SWAFNMCHOIYZBD-ATWMFIQVSA-N -1 0 336.457 3.580 20 0 EHADRM C/C=C/C[C@@H](NC(=O)c1c(C)c(C)oc1-c1ccccc1)C(=O)[O-] ZINC000263527095 1029709069 /nfs/dbraw/zinc/70/90/69/1029709069.db2.gz KLRUMJUSPJHEET-MBVDDHJVSA-N -1 0 327.380 3.713 20 0 EHADRM Cc1cc(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)c(Cl)cc1F ZINC000347398945 1029727123 /nfs/dbraw/zinc/72/71/23/1029727123.db2.gz VZXSNHATKKGXAL-UHFFFAOYSA-N -1 0 347.773 3.684 20 0 EHADRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000446622139 1029729038 /nfs/dbraw/zinc/72/90/38/1029729038.db2.gz CSNCBVGEOPMVJB-UHFFFAOYSA-N -1 0 337.466 3.835 20 0 EHADRM Brc1cc(CN=c2[n-]nc(-c3ccccc3)o2)cs1 ZINC000508586663 1029973192 /nfs/dbraw/zinc/97/31/92/1029973192.db2.gz HCNHTPDQLVXBGR-UHFFFAOYSA-N -1 0 336.214 3.595 20 0 EHADRM CC(C)Nc1cc(F)ccc1NC(=O)c1s[n-]c(=O)c1Cl ZINC000583513269 1029991121 /nfs/dbraw/zinc/99/11/21/1029991121.db2.gz XMYUYSFNXCJOPW-UHFFFAOYSA-N -1 0 329.784 3.714 20 0 EHADRM Cc1cc(=NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)[n-]nc1C ZINC000525661775 1030006038 /nfs/dbraw/zinc/00/60/38/1030006038.db2.gz CLXPBAPSYQIKSJ-ZIAGYGMSSA-N -1 0 336.222 3.564 20 0 EHADRM c1csc(-c2nc(CN=c3[n-]nc(-c4ccccc4)o3)cs2)c1 ZINC000508590279 1030021730 /nfs/dbraw/zinc/02/17/30/1030021730.db2.gz UBGMJXWDICSSHS-UHFFFAOYSA-N -1 0 340.433 3.956 20 0 EHADRM COc1cc(C)cc([N-]S(=O)(=O)c2cccc3cccnc32)c1C ZINC000447277655 1030061665 /nfs/dbraw/zinc/06/16/65/1030061665.db2.gz IXDYYOZXBHETLF-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)s1 ZINC000481951121 1030130122 /nfs/dbraw/zinc/13/01/22/1030130122.db2.gz GHNHAHJNMFSSGV-UHFFFAOYSA-N -1 0 347.408 3.755 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)NCc3ccsc3)s2)c1 ZINC000481970290 1030137913 /nfs/dbraw/zinc/13/79/13/1030137913.db2.gz QDQYWZWGBDPIDT-UHFFFAOYSA-N -1 0 344.465 3.627 20 0 EHADRM CC(C)C[C@H]1CCCN1C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000447443879 1030197601 /nfs/dbraw/zinc/19/76/01/1030197601.db2.gz XCKLWCBRTALRCN-OAHLLOKOSA-N -1 0 347.846 3.882 20 0 EHADRM CCc1csc(NC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])n1 ZINC000447433999 1030209236 /nfs/dbraw/zinc/20/92/36/1030209236.db2.gz CXNNGYYZIJTIHU-UHFFFAOYSA-N -1 0 348.815 3.503 20 0 EHADRM Cc1cc(C)c(NC(=O)C[C@@H](C)CC(=O)[O-])c(Br)c1 ZINC000159568188 1030274806 /nfs/dbraw/zinc/27/48/06/1030274806.db2.gz PDEMBEYJCIORDU-SECBINFHSA-N -1 0 328.206 3.505 20 0 EHADRM Cc1ccc(Nc2cnc(Br)c(Cl)n2)cc1C(=O)[O-] ZINC001211592301 1030355548 /nfs/dbraw/zinc/35/55/48/1030355548.db2.gz SANFJOSKOKRQOH-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cccc(Cl)c2Cl)CC[C@@H]1C(=O)[O-] ZINC000313979028 1030380558 /nfs/dbraw/zinc/38/05/58/1030380558.db2.gz PGTASYSWLIIXEZ-BDAKNGLRSA-N -1 0 331.199 3.568 20 0 EHADRM CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1sccc1OC ZINC000122032746 1030485892 /nfs/dbraw/zinc/48/58/92/1030485892.db2.gz KQBVKWZWZARHOW-UHFFFAOYSA-N -1 0 347.845 3.610 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c(O)c1 ZINC000447781422 1030488201 /nfs/dbraw/zinc/48/82/01/1030488201.db2.gz CDZVAWOEBRMJIF-UHFFFAOYSA-N -1 0 349.305 3.659 20 0 EHADRM CCc1nn(-c2ccccc2)c(CC)c1CN=c1[n-]c(C(C)C)no1 ZINC000447804643 1030505557 /nfs/dbraw/zinc/50/55/57/1030505557.db2.gz GLQXPSWQDZCAAK-UHFFFAOYSA-N -1 0 339.443 3.538 20 0 EHADRM Cc1ccc(-c2cc(=NC(=O)c3cccc(Cl)c3Cl)[nH][n-]2)o1 ZINC000447805021 1030506221 /nfs/dbraw/zinc/50/62/21/1030506221.db2.gz GTILODGCJTXSPX-UHFFFAOYSA-N -1 0 336.178 3.959 20 0 EHADRM CC(C)CC(=O)Nc1ccc(NC(=O)c2c([O-])cccc2F)cc1 ZINC000122275173 1030568952 /nfs/dbraw/zinc/56/89/52/1030568952.db2.gz PJSPZIQDVCOFGS-UHFFFAOYSA-N -1 0 330.359 3.768 20 0 EHADRM C[C@@H]1C[C@H](C)CN1C(=O)N=c1[n-]nc(-c2cc3ccccc3o2)s1 ZINC000527057001 1030608924 /nfs/dbraw/zinc/60/89/24/1030608924.db2.gz UZBSQLYACPWOAK-WDEREUQCSA-N -1 0 342.424 3.635 20 0 EHADRM CC[C@@]1(C)CCCN(C(=O)N=c2[n-]nc(/C=C/c3ccco3)s2)C1 ZINC000343384778 1030613394 /nfs/dbraw/zinc/61/33/94/1030613394.db2.gz BAHZPUXUWZAAFZ-OZSKJFCKSA-N -1 0 346.456 3.767 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000237522026 1030662935 /nfs/dbraw/zinc/66/29/35/1030662935.db2.gz QCOALDJYTOQYAK-ZBFHGGJFSA-N -1 0 335.419 3.640 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)N=c2nc(-c3ccsc3)[n-]s2)cc1 ZINC000448016000 1030669306 /nfs/dbraw/zinc/66/93/06/1030669306.db2.gz WNRTWWGYVCSGME-LLVKDONJSA-N -1 0 344.465 3.880 20 0 EHADRM COc1cccc(C)c1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000194213677 1030692919 /nfs/dbraw/zinc/69/29/19/1030692919.db2.gz ORENUMYUNPEPQB-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CC(C)[C@H](NC(=O)N=c1ccc(C2CC2)n[n-]1)c1ccc(Cl)cc1 ZINC000448151292 1030773005 /nfs/dbraw/zinc/77/30/05/1030773005.db2.gz MDTXUKAKXIGSPU-KRWDZBQOSA-N -1 0 344.846 3.948 20 0 EHADRM CO[C@@H](C)c1cccc(NS(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000157740026 1030816819 /nfs/dbraw/zinc/81/68/19/1030816819.db2.gz CBWNFIHAIRPAQH-VIFPVBQESA-N -1 0 345.342 3.612 20 0 EHADRM Cc1ccc(-c2n[n-]c(=NCc3ccc(-n4cccn4)cc3)o2)c(C)c1 ZINC000550951073 1030827560 /nfs/dbraw/zinc/82/75/60/1030827560.db2.gz XOBCETSVESPAJM-UHFFFAOYSA-N -1 0 345.406 3.573 20 0 EHADRM CC(C)(C)Oc1ccccc1[N-]S(=O)(=O)c1c[nH]c2ncccc12 ZINC000115314074 1030855122 /nfs/dbraw/zinc/85/51/22/1030855122.db2.gz APSLGKAYHWFDOY-UHFFFAOYSA-N -1 0 345.424 3.541 20 0 EHADRM O=C([O-])[C@H](CNC(=O)c1ccc(C2CCC2)cc1)c1ccc(F)cc1 ZINC000262821908 1030922069 /nfs/dbraw/zinc/92/20/69/1030922069.db2.gz FEBRUMGEEFZSKV-GOSISDBHSA-N -1 0 341.382 3.691 20 0 EHADRM C[C@@H]1C[C@@H](N=c2[n-]nc(-c3cc(Cl)cc(Cl)c3)s2)CCO1 ZINC000537674251 1030943210 /nfs/dbraw/zinc/94/32/10/1030943210.db2.gz YBVAEPKNUIZDME-PELKAZGASA-N -1 0 344.267 3.913 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)N[C@@H]1CCc2cc(F)ccc21 ZINC000448360856 1030986365 /nfs/dbraw/zinc/98/63/65/1030986365.db2.gz DQXWHQSCGLOYTG-GOSISDBHSA-N -1 0 348.381 3.514 20 0 EHADRM C[C@@H]1CCC[C@H](C)N1C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000668218747 1031032013 /nfs/dbraw/zinc/03/20/13/1031032013.db2.gz UHMMKXYWOVLLDL-TXEJJXNPSA-N -1 0 333.819 3.634 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N(C2CC2)C2CCCC2)n1 ZINC000668221563 1031044865 /nfs/dbraw/zinc/04/48/65/1031044865.db2.gz CKRLAUYLBWPGNZ-UHFFFAOYSA-N -1 0 339.439 3.688 20 0 EHADRM CCCCCS(=O)(=O)N(CCCC)c1ccccc1C(=O)[O-] ZINC000551118867 1031045361 /nfs/dbraw/zinc/04/53/61/1031045361.db2.gz WMIOAUZZRKWPOK-UHFFFAOYSA-N -1 0 327.446 3.511 20 0 EHADRM Cc1ccc(Nc2ccc(N3CCOCC3)c(Cl)c2)cc1C(=O)[O-] ZINC001211601807 1031047917 /nfs/dbraw/zinc/04/79/17/1031047917.db2.gz MABSIWBRPPMEOP-UHFFFAOYSA-N -1 0 346.814 3.927 20 0 EHADRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C(C)(C)C)on1 ZINC000476909575 1031064289 /nfs/dbraw/zinc/06/42/89/1031064289.db2.gz BZCYZBBQHLQAIK-UHFFFAOYSA-N -1 0 328.821 3.735 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2cc(F)ccc2Cl)no1 ZINC000476918174 1031082290 /nfs/dbraw/zinc/08/22/90/1031082290.db2.gz BGXATSWDNUWLAU-UHFFFAOYSA-N -1 0 332.784 3.565 20 0 EHADRM CCc1ccc(C(=O)[O-])cc1NCc1ccc(OC)c(OC)c1OC ZINC000551421244 1031315743 /nfs/dbraw/zinc/31/57/43/1031315743.db2.gz ZWCPRMGKHGUWIY-UHFFFAOYSA-N -1 0 345.395 3.585 20 0 EHADRM C[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1ccc(Cl)cn1 ZINC000194671905 1031326883 /nfs/dbraw/zinc/32/68/83/1031326883.db2.gz QTTSHMVMMLUWDH-ZETCQYMHSA-N -1 0 329.158 3.724 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Cc1cccc(C2CC2)c1)c1ccccc1 ZINC000668272534 1031371450 /nfs/dbraw/zinc/37/14/50/1031371450.db2.gz GXVZMCLYEDSQDU-VLIAUNLRSA-N -1 0 337.419 3.685 20 0 EHADRM COC(=O)c1cc(OC)c(Nc2ccc(C)c(C(=O)[O-])c2)cc1Cl ZINC001211606295 1031392064 /nfs/dbraw/zinc/39/20/64/1031392064.db2.gz LJKPMYZFCOWRIL-UHFFFAOYSA-N -1 0 349.770 3.885 20 0 EHADRM CC(C)(C(=O)NCC1(C(=O)[O-])CC1)c1ccc(-c2ccccc2)cc1 ZINC000668286624 1031397924 /nfs/dbraw/zinc/39/79/24/1031397924.db2.gz KUDYTXLKPDGVLI-UHFFFAOYSA-N -1 0 337.419 3.612 20 0 EHADRM CC(C)(c1ccc(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])cc1)C(F)(F)F ZINC000668289433 1031405916 /nfs/dbraw/zinc/40/59/16/1031405916.db2.gz XQKIOBFSAAPPFA-OLZOCXBDSA-N -1 0 343.345 3.510 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H](c3ccc(F)cc3)CC2)s1 ZINC000668314741 1031458485 /nfs/dbraw/zinc/45/84/85/1031458485.db2.gz XCPXNXAABYOKBN-GFCCVEGCSA-N -1 0 347.411 3.995 20 0 EHADRM Cc1ccc([C@@H]2CCN(C(=O)Cc3cccc(C(=O)[O-])c3)C2)c(C)c1 ZINC000668322367 1031484679 /nfs/dbraw/zinc/48/46/79/1031484679.db2.gz RXXAJAHZSPMXRK-GOSISDBHSA-N -1 0 337.419 3.560 20 0 EHADRM O=C(N[C@H](c1ccccc1)c1ccncc1)c1cc(F)c([O-])c(F)c1 ZINC000177117286 1031513511 /nfs/dbraw/zinc/51/35/11/1031513511.db2.gz GDRYIKMTAGXJMK-QGZVFWFLSA-N -1 0 340.329 3.585 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CC[C@@H](C)[C@@H]3C)n2)cc1 ZINC000177063742 1031529495 /nfs/dbraw/zinc/52/94/95/1031529495.db2.gz MLFNWBUSDMNMBU-KGLIPLIRSA-N -1 0 327.428 3.572 20 0 EHADRM Cc1ccccc1-c1nc(=NC[C@@]2(C)CCO[C@H]2C2CC2)s[n-]1 ZINC000527962721 1031529699 /nfs/dbraw/zinc/52/96/99/1031529699.db2.gz BOIUEFFAXWEUAN-MAUKXSAKSA-N -1 0 329.469 3.553 20 0 EHADRM CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000469134274 1031532899 /nfs/dbraw/zinc/53/28/99/1031532899.db2.gz FBJLGBJLNXUFAN-UHFFFAOYSA-N -1 0 329.780 3.679 20 0 EHADRM COc1ccc(CNC(=O)c2cc(F)c([O-])c(Cl)c2)cc1Cl ZINC000194865010 1031575279 /nfs/dbraw/zinc/57/52/79/1031575279.db2.gz PWHKMLTZYJPOJJ-UHFFFAOYSA-N -1 0 344.169 3.777 20 0 EHADRM COCCOc1c(F)cc(Nc2ccc(C)c(C(=O)[O-])c2)cc1F ZINC001211608540 1031580598 /nfs/dbraw/zinc/58/05/98/1031580598.db2.gz YVNFPHYDHJZKPV-UHFFFAOYSA-N -1 0 337.322 3.740 20 0 EHADRM O=C([O-])[C@@H](NCc1nc2cc(F)ccc2o1)C(C1CCC1)C1CCC1 ZINC000904017882 1031607969 /nfs/dbraw/zinc/60/79/69/1031607969.db2.gz MCZSJNWNLBSQGE-SFHVURJKSA-N -1 0 346.402 3.726 20 0 EHADRM Cc1cc(NCc2cnc(C3CC3)o2)ccc1-n1cccc1C(=O)[O-] ZINC000904011955 1031630407 /nfs/dbraw/zinc/63/04/07/1031630407.db2.gz NCJJQDJJFDSWQD-UHFFFAOYSA-N -1 0 337.379 3.961 20 0 EHADRM CSC[C@H](NCc1ccc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000904040861 1031656339 /nfs/dbraw/zinc/65/63/39/1031656339.db2.gz WNNWFRHLHBRYNU-ZDUSSCGKSA-N -1 0 325.817 3.506 20 0 EHADRM O=C([O-])C[C@@H](NCc1cccc(OC2CC2)c1F)c1ccccc1F ZINC000904044538 1031661343 /nfs/dbraw/zinc/66/13/43/1031661343.db2.gz COBOJQHQDIUZSW-MRXNPFEDSA-N -1 0 347.361 3.812 20 0 EHADRM COCc1ccccc1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1 ZINC000484519346 1031675713 /nfs/dbraw/zinc/67/57/13/1031675713.db2.gz YVAXNJFFXSZLEK-UHFFFAOYSA-N -1 0 346.235 3.941 20 0 EHADRM Cc1cccc(N2CCN(C(=O)c3ccc([O-])c(Cl)c3)CC2)c1C ZINC000005094384 1031715486 /nfs/dbraw/zinc/71/54/86/1031715486.db2.gz KEQSTIOHVBBYOL-UHFFFAOYSA-N -1 0 344.842 3.625 20 0 EHADRM C[C@@H](N=c1[n-]nc(C2CC2)o1)c1cc(F)c(Br)cc1F ZINC000528135105 1031752160 /nfs/dbraw/zinc/75/21/60/1031752160.db2.gz UPAUCVDDPUJBRP-ZCFIWIBFSA-N -1 0 344.159 3.583 20 0 EHADRM CCc1c(C)sc2nc(-c3nnc(-c4ccccc4)o3)[n-]c(=O)c12 ZINC000477656758 1031761187 /nfs/dbraw/zinc/76/11/87/1031761187.db2.gz BZAPYLADVXSMJE-UHFFFAOYSA-N -1 0 338.392 3.985 20 0 EHADRM O=C([O-])N[C@@H]1C[C@H](Nc2ccc3oc(C4CC4)nc3c2)C12CCC2 ZINC000904211167 1031834037 /nfs/dbraw/zinc/83/40/37/1031834037.db2.gz GUKKFVDIOICJDV-LSDHHAIUSA-N -1 0 327.384 3.696 20 0 EHADRM O=C([O-])N[C@@H]1C[C@@H](Nc2ccc3oc(C4CC4)nc3c2)C12CCC2 ZINC000904211166 1031834123 /nfs/dbraw/zinc/83/41/23/1031834123.db2.gz GUKKFVDIOICJDV-HUUCEWRRSA-N -1 0 327.384 3.696 20 0 EHADRM O=C([O-])N[C@@H]1C[C@@H](Nc2ccc(OCC(F)(F)F)cc2)C12CCC2 ZINC000904195184 1031841794 /nfs/dbraw/zinc/84/17/94/1031841794.db2.gz QZRHRTBCCDDFTM-CHWSQXEVSA-N -1 0 344.333 3.618 20 0 EHADRM CC(C)n1ncc2ccc(N[C@@H]3C[C@H](NC(=O)[O-])C34CCC4)cc21 ZINC000904229602 1031868095 /nfs/dbraw/zinc/86/80/95/1031868095.db2.gz LFCSSNXXLXCUIX-CVEARBPZSA-N -1 0 328.416 3.608 20 0 EHADRM O=C([O-])N[C@H]1C[C@@H](Nc2ccc(Cl)c(OC(F)F)c2)C12CCC2 ZINC000904231502 1031870113 /nfs/dbraw/zinc/87/01/13/1031870113.db2.gz UKOMNHCHFOMJQY-NEPJUHHUSA-N -1 0 346.761 3.932 20 0 EHADRM COCCCOc1cccc(-c2nc(-c3ccc(O)cc3F)no2)c1 ZINC000445455351 1031872631 /nfs/dbraw/zinc/87/26/31/1031872631.db2.gz DCIZRSSJSFUZFD-UHFFFAOYSA-N -1 0 344.342 3.664 20 0 EHADRM O=C([O-])N[C@H]1C[C@@H](Nc2cccc(C3CCOCC3)c2)C12CCC2 ZINC000904252526 1031875406 /nfs/dbraw/zinc/87/54/06/1031875406.db2.gz BRZAWKKZYAFJAE-SJORKVTESA-N -1 0 330.428 3.571 20 0 EHADRM Clc1ccc2c(c1)CC[C@@H]2N=c1nc(C2CCOCC2)[n-]s1 ZINC000528192290 1031879097 /nfs/dbraw/zinc/87/90/97/1031879097.db2.gz GCXYLYJSFBHTJK-AWEZNQCLSA-N -1 0 335.860 3.607 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)c1C ZINC000181195287 1031952284 /nfs/dbraw/zinc/95/22/84/1031952284.db2.gz LNIUZSUBBVSUOQ-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM O=C(CCCOc1cccnc1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000159251346 1031977609 /nfs/dbraw/zinc/97/76/09/1031977609.db2.gz PHXMCCKSGYLDCU-UHFFFAOYSA-N -1 0 341.194 3.892 20 0 EHADRM C[C@](CNC(=O)c1sccc1C1CC1)(C(=O)[O-])c1ccc(F)cc1 ZINC000448996493 1032004342 /nfs/dbraw/zinc/00/43/42/1032004342.db2.gz RRGXFKNKCHBOSX-GOSISDBHSA-N -1 0 347.411 3.537 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)Cc2ccc(C(=O)[O-])cc2)cc1C ZINC000448986949 1032018686 /nfs/dbraw/zinc/01/86/86/1032018686.db2.gz ZVNTVFLPQTWRPI-IBGZPJMESA-N -1 0 337.419 3.908 20 0 EHADRM C[C@H]1CN(C(=O)c2cccc(OC3CCCCC3)c2)CC[C@H]1C(=O)[O-] ZINC000449005603 1032045363 /nfs/dbraw/zinc/04/53/63/1032045363.db2.gz WFAUWAMQAXCBCQ-KBXCAEBGSA-N -1 0 345.439 3.581 20 0 EHADRM C[C@@H]1CN(C(=O)c2cccc(OC3CCCCC3)c2)CC[C@H]1C(=O)[O-] ZINC000449005606 1032045468 /nfs/dbraw/zinc/04/54/68/1032045468.db2.gz WFAUWAMQAXCBCQ-RDTXWAMCSA-N -1 0 345.439 3.581 20 0 EHADRM C[C@H](C(=O)N=c1ccc(C2CC2)n[n-]1)c1ccccc1C(F)(F)F ZINC000607833200 1033324713 /nfs/dbraw/zinc/32/47/13/1033324713.db2.gz WKKVUNUQPBODCR-JTQLQIEISA-N -1 0 335.329 3.537 20 0 EHADRM Cc1cc2occ(CC(=O)N[C@H](C)[C@@H](C)C(=O)[O-])c2cc1C(C)C ZINC000263385104 1033372040 /nfs/dbraw/zinc/37/20/40/1033372040.db2.gz BWMYUUDTRZCFAL-CHWSQXEVSA-N -1 0 331.412 3.633 20 0 EHADRM CSCCCc1nc(-c2cc(F)c([O-])c(Br)c2)no1 ZINC000598682372 1033382366 /nfs/dbraw/zinc/38/23/66/1033382366.db2.gz CONHFRUXCYXQTR-UHFFFAOYSA-N -1 0 347.209 3.639 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)Nc3ccc4ccccc4c3)cc2=O)cc1 ZINC000173595916 1033427858 /nfs/dbraw/zinc/42/78/58/1033427858.db2.gz AQFBKQIFHGOHMN-UHFFFAOYSA-N -1 0 343.386 3.880 20 0 EHADRM Cc1cc2c(c(C)c1)NC(=O)C2=N[N-]c1oc(CC(C)C)nc1C#N ZINC000063555560 1033452497 /nfs/dbraw/zinc/45/24/97/1033452497.db2.gz MKZSOBGWMWIJHF-UHFFFAOYSA-N -1 0 337.383 3.779 20 0 EHADRM C[C@H]1C[C@H]1c1nc(=O)c2sc(-c3ccc4c(c3)OCO4)cc2[n-]1 ZINC000608102970 1033495114 /nfs/dbraw/zinc/49/51/14/1033495114.db2.gz LTTGILPPCWQAQI-WCBMZHEXSA-N -1 0 326.377 3.504 20 0 EHADRM CC(C)c1n[n-]c(=NCc2c(OC(F)F)ccc3ccccc32)o1 ZINC000537505710 1033513084 /nfs/dbraw/zinc/51/30/84/1033513084.db2.gz AAIOUYOFUBKWHY-UHFFFAOYSA-N -1 0 333.338 3.982 20 0 EHADRM Cc1ccnc([N-]S(=O)(=O)c2ccc3ncsc3c2)c1C1CC1 ZINC000606444522 1033516493 /nfs/dbraw/zinc/51/64/93/1033516493.db2.gz KROSXTQFGBGQLZ-UHFFFAOYSA-N -1 0 345.449 3.678 20 0 EHADRM CC(C)N(C(=O)c1cc(Br)c(F)cc1[O-])C1CCC1 ZINC000449974632 1033529984 /nfs/dbraw/zinc/52/99/84/1033529984.db2.gz NYWBUIYUDHCMEF-UHFFFAOYSA-N -1 0 330.197 3.697 20 0 EHADRM CCCC(=O)Nc1cccc(NC(=O)CC(C)(C)CC(=O)[O-])c1C ZINC000063640175 1033545080 /nfs/dbraw/zinc/54/50/80/1033545080.db2.gz STSNTJTUSKIMKA-UHFFFAOYSA-N -1 0 334.416 3.563 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)nc1 ZINC000608258563 1033553504 /nfs/dbraw/zinc/55/35/04/1033553504.db2.gz PSGSJNCWXIWSAZ-UHFFFAOYSA-N -1 0 346.452 3.939 20 0 EHADRM C[C@@H](NC(=O)N=c1[n-]nc(Cc2ccccc2)s1)C1CCCCC1 ZINC000608263475 1033557751 /nfs/dbraw/zinc/55/77/51/1033557751.db2.gz FNEBXVGDRHXVBC-CYBMUJFWSA-N -1 0 344.484 3.641 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N[C@H]2C[C@@]2(C)c2ccccc2)s1 ZINC000608269450 1033563628 /nfs/dbraw/zinc/56/36/28/1033563628.db2.gz PESDNXPQMUXFIX-KSSFIOAISA-N -1 0 344.484 3.715 20 0 EHADRM CCC[C@@H](CC1CCCC1)C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000603446070 1033647822 /nfs/dbraw/zinc/64/78/22/1033647822.db2.gz BIJAAVYSNIVLGS-HNNXBMFYSA-N -1 0 343.427 3.965 20 0 EHADRM C/C=C/C[C@H](NC(=O)Nc1cc(Cl)c(OC)c(Cl)c1)C(=O)[O-] ZINC000574895264 1033675763 /nfs/dbraw/zinc/67/57/63/1033675763.db2.gz JCQXGNOYXQLVSB-UFFNRZRYSA-N -1 0 347.198 3.543 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(-n3ccnc3)cc2)c1 ZINC000120312714 1033682346 /nfs/dbraw/zinc/68/23/46/1033682346.db2.gz OEXOIUQEPZACMP-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)c1 ZINC000120330016 1033697938 /nfs/dbraw/zinc/69/79/38/1033697938.db2.gz OHCPLLFTRSVQFH-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM C[C@H]1CN(C(=O)c2c([O-])cc(F)cc2F)CC[C@@H]1c1ccccc1 ZINC000608467245 1033721138 /nfs/dbraw/zinc/72/11/38/1033721138.db2.gz AAMKGJVXIWUGIO-WFASDCNBSA-N -1 0 331.362 3.936 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2)n(-c2ccccc2)n1 ZINC000057734520 1033746054 /nfs/dbraw/zinc/74/60/54/1033746054.db2.gz MASAOOGXOSYQRB-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM CCc1n[n-]c(=NC(=O)N2CCC[C@H]2[C@H](CC)c2ccccc2)s1 ZINC000476491701 1033956440 /nfs/dbraw/zinc/95/64/40/1033956440.db2.gz RGOVBEGYXBFZQH-CABCVRRESA-N -1 0 344.484 3.713 20 0 EHADRM COc1cc(-c2ccc(C)c(CC(=O)[O-])c2)cnc1C(F)(F)F ZINC000514614123 1034005978 /nfs/dbraw/zinc/00/59/78/1034005978.db2.gz CIPXGABJJSITDR-UHFFFAOYSA-N -1 0 325.286 3.712 20 0 EHADRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000460447653 1034041166 /nfs/dbraw/zinc/04/11/66/1034041166.db2.gz YKZGNQBGUNJVNL-UHFFFAOYSA-N -1 0 341.379 3.781 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000596002964 1034043424 /nfs/dbraw/zinc/04/34/24/1034043424.db2.gz NCRXRROXBPAQOA-CYBMUJFWSA-N -1 0 347.436 3.527 20 0 EHADRM O=C(CC/C=C\c1ccccc1)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000255662964 1034061035 /nfs/dbraw/zinc/06/10/35/1034061035.db2.gz WICKELPDSVOAQZ-WTKPLQERSA-N -1 0 349.839 3.639 20 0 EHADRM O=S(=O)([N-]c1scnc1C1CC1)c1cc(F)cc(Cl)c1 ZINC000534238393 1034280774 /nfs/dbraw/zinc/28/07/74/1034280774.db2.gz JYVBBQBPZOLIRU-UHFFFAOYSA-N -1 0 332.809 3.614 20 0 EHADRM O=S(=O)([N-]c1scnc1C1CC1)c1ccccc1C(F)(F)F ZINC000534239263 1034282585 /nfs/dbraw/zinc/28/25/85/1034282585.db2.gz ZDJDAPUNWLYEKD-UHFFFAOYSA-N -1 0 348.371 3.840 20 0 EHADRM Cc1cc(=NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)[n-]nc1C ZINC000604233252 1034289147 /nfs/dbraw/zinc/28/91/47/1034289147.db2.gz IHPNQADHHSDTGF-NEPJUHHUSA-N -1 0 336.222 3.564 20 0 EHADRM Cc1c(CNC(=O)N=c2[n-]nc(CC(C)C)s2)oc2ccccc12 ZINC000604609932 1034435249 /nfs/dbraw/zinc/43/52/49/1034435249.db2.gz TZAFSTMRKHWCET-UHFFFAOYSA-N -1 0 344.440 3.535 20 0 EHADRM C[C@H](CC(=O)N=c1nc(-c2ccsc2)[n-]s1)c1cccc(F)c1 ZINC000604706510 1034460640 /nfs/dbraw/zinc/46/06/40/1034460640.db2.gz PFJFQWODKJPYOA-SNVBAGLBSA-N -1 0 347.440 3.960 20 0 EHADRM Clc1ccccc1-c1n[n-]c(=NCCCNc2ccccn2)s1 ZINC000546858017 1034462795 /nfs/dbraw/zinc/46/27/95/1034462795.db2.gz OKFNZXCDDVJNRG-UHFFFAOYSA-N -1 0 345.859 3.590 20 0 EHADRM Cc1c(CNC(=O)[C@H]2CC[C@@H]2C(=O)[O-])sc2ccc(Cl)cc12 ZINC000450541833 1034494425 /nfs/dbraw/zinc/49/44/25/1034494425.db2.gz RLRBSJPIIRPNNG-QWRGUYRKSA-N -1 0 337.828 3.590 20 0 EHADRM CC1(C)CN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C[C@H]1c1ccccc1 ZINC000450538825 1034512575 /nfs/dbraw/zinc/51/25/75/1034512575.db2.gz HPMPGSQOZHTJIE-ULQDDVLXSA-N -1 0 329.440 3.530 20 0 EHADRM Cc1cccc(C)c1[C@@H](C)NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000450538899 1034513348 /nfs/dbraw/zinc/51/33/48/1034513348.db2.gz HXLIYSVFXTUCDO-OAHLLOKOSA-N -1 0 325.408 3.812 20 0 EHADRM CCOc1cc(C(=O)NCC(C)(C)C(F)(F)F)cc(Cl)c1O ZINC000548910913 1034662655 /nfs/dbraw/zinc/66/26/55/1034662655.db2.gz VCFJCUUJDZYGPM-UHFFFAOYSA-N -1 0 339.741 3.763 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000605321792 1034695294 /nfs/dbraw/zinc/69/52/94/1034695294.db2.gz BWRBQKIXBNHYKQ-NWDGAFQWSA-N -1 0 337.803 3.733 20 0 EHADRM CCc1cccc(CC)c1S(=O)(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000605495300 1034769234 /nfs/dbraw/zinc/76/92/34/1034769234.db2.gz MBZBNHUUTAYAJP-UHFFFAOYSA-N -1 0 347.436 3.619 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cncc3ccccc32)cc(C)c1F ZINC000534673250 1034808187 /nfs/dbraw/zinc/80/81/87/1034808187.db2.gz FNZSNYCYAXDVBL-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM Cc1cc(-n2[n-]c(=O)c3ccccc3c2=O)nc2ccc(Cl)cc12 ZINC000612372892 1034853843 /nfs/dbraw/zinc/85/38/43/1034853843.db2.gz FSRYXTXBIRRJDG-UHFFFAOYSA-N -1 0 337.766 3.601 20 0 EHADRM Cc1cc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])nc2ccccc12 ZINC000431652196 1034879939 /nfs/dbraw/zinc/87/99/39/1034879939.db2.gz ATVFHOZLSLTHNE-AUUYWEPGSA-N -1 0 348.402 3.735 20 0 EHADRM CCn1cc([C@@H](C)N=c2[n-]nc(-c3ccccc3Cl)s2)cn1 ZINC000450871570 1034888343 /nfs/dbraw/zinc/88/83/43/1034888343.db2.gz HBSGAVUVJUIHNG-SNVBAGLBSA-N -1 0 333.848 3.670 20 0 EHADRM C[C@H]1CCc2nc([N-]S(=O)(=O)c3sccc3Cl)sc2C1 ZINC000450962527 1034988881 /nfs/dbraw/zinc/98/88/81/1034988881.db2.gz CDFWSJVMJVJLOQ-ZETCQYMHSA-N -1 0 348.902 3.784 20 0 EHADRM Cc1csc(S(=O)(=O)[N-]c2ccc(CN(C)C)c(Cl)c2)c1 ZINC000451018266 1035014527 /nfs/dbraw/zinc/01/45/27/1035014527.db2.gz RIXIAZLSSQZBFC-UHFFFAOYSA-N -1 0 344.889 3.572 20 0 EHADRM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1sccc1Cl)C(F)(F)F ZINC000451012717 1035029778 /nfs/dbraw/zinc/02/97/78/1035029778.db2.gz XIYZBPUAFJWCDE-XPUUQOCRSA-N -1 0 335.800 3.657 20 0 EHADRM CC(C)([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(F)(F)F ZINC000451034547 1035037229 /nfs/dbraw/zinc/03/72/29/1035037229.db2.gz XJNPWZHBOLUJRT-UHFFFAOYSA-N -1 0 336.162 3.613 20 0 EHADRM O=C(c1ccc(Br)cc1O)N1CCC=C(c2ccco2)C1 ZINC000375982924 1035057090 /nfs/dbraw/zinc/05/70/90/1035057090.db2.gz DOGIETVWFDXQRM-UHFFFAOYSA-N -1 0 348.196 3.677 20 0 EHADRM O=C(c1ccc2oc(=O)nc-2[n-]1)N1CCC[C@@H]1CCC1CCCC1 ZINC000612578418 1035073850 /nfs/dbraw/zinc/07/38/50/1035073850.db2.gz NDCUAKMLMFDACJ-CYBMUJFWSA-N -1 0 329.400 3.503 20 0 EHADRM Cc1ccc(CSCCN=c2[n-]c(C(F)(F)F)ns2)cc1 ZINC000570150348 1035083662 /nfs/dbraw/zinc/08/36/62/1035083662.db2.gz YUFYMMDYGGXLPR-UHFFFAOYSA-N -1 0 333.404 3.633 20 0 EHADRM CCC[C@@H](CC1CCCCC1)C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000584496706 1035186411 /nfs/dbraw/zinc/18/64/11/1035186411.db2.gz PLEQNLWEGCAVDR-JKSUJKDBSA-N -1 0 348.491 3.603 20 0 EHADRM CCCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccnc(Cl)c1 ZINC000782639711 1035197472 /nfs/dbraw/zinc/19/74/72/1035197472.db2.gz IWLJTUQBCPTFOB-GFCCVEGCSA-N -1 0 346.880 3.537 20 0 EHADRM Clc1ccc([C@@H](N=c2ncnc3[nH][nH]cc2-3)C2CCCC2)cc1 ZINC000511385934 1035255290 /nfs/dbraw/zinc/25/52/90/1035255290.db2.gz TZAVHWKMTJYACR-HNNXBMFYSA-N -1 0 327.819 3.723 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000024226539 1035276127 /nfs/dbraw/zinc/27/61/27/1035276127.db2.gz FHAPEGCFILYZPF-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM C[C@@H]1CCCN(Cc2nc(=O)c3sccc3[n-]2)c2ccccc21 ZINC000185986208 1035294296 /nfs/dbraw/zinc/29/42/96/1035294296.db2.gz LNTWQBLHULDSPV-GFCCVEGCSA-N -1 0 325.437 3.889 20 0 EHADRM CCN(C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])C1CC(C)(C)C1 ZINC000413982118 1035320499 /nfs/dbraw/zinc/32/04/99/1035320499.db2.gz AXWVJZMKDCTAFA-UHFFFAOYSA-N -1 0 347.846 3.882 20 0 EHADRM Cc1cscc1[N-]S(=O)(=O)c1ccccc1Br ZINC000161662070 1035369171 /nfs/dbraw/zinc/36/91/71/1035369171.db2.gz QULMNHFXYSYALC-UHFFFAOYSA-N -1 0 332.244 3.620 20 0 EHADRM COc1cc(C(=O)Nc2ccc(F)cc2O)sc1Br ZINC000534705283 1035500296 /nfs/dbraw/zinc/50/02/96/1035500296.db2.gz OHVBFTPFTWMTEM-UHFFFAOYSA-N -1 0 346.177 3.616 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCc1ccc2[nH]ccc2c1)C1CCCCC1 ZINC000431793459 1035516458 /nfs/dbraw/zinc/51/64/58/1035516458.db2.gz ZCENQZXGXYWYKD-GOSISDBHSA-N -1 0 342.439 3.640 20 0 EHADRM Cc1cc(-c2n[n-]c(=NCc3ccc4nc(C)sc4c3)o2)c(C)o1 ZINC000492242555 1035521688 /nfs/dbraw/zinc/52/16/88/1035521688.db2.gz UBAQPJKSYHVFEM-UHFFFAOYSA-N -1 0 340.408 3.899 20 0 EHADRM Cc1cc(CN=c2[n-]nc(CCCc3ccccc3)o2)ccc1F ZINC000540706713 1035587116 /nfs/dbraw/zinc/58/71/16/1035587116.db2.gz YZOJLVZFEPFFRW-UHFFFAOYSA-N -1 0 325.387 3.726 20 0 EHADRM CC(C)Oc1cccc(/C=C/C(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC000492327762 1035624324 /nfs/dbraw/zinc/62/43/24/1035624324.db2.gz GCQWBOCARSWXCP-SOFGYWHQSA-N -1 0 345.439 3.590 20 0 EHADRM CCOc1ccc(NC(=O)NC(CC)(CC)C(=O)[O-])cc1Cl ZINC000571742169 1035638062 /nfs/dbraw/zinc/63/80/62/1035638062.db2.gz UHJFWLALNVHTNZ-UHFFFAOYSA-N -1 0 328.796 3.504 20 0 EHADRM CC(C)[C@@H](C(=O)NCC1(CC(=O)[O-])CCCCC1)c1ccccc1 ZINC000540777108 1035671269 /nfs/dbraw/zinc/67/12/69/1035671269.db2.gz WNELYQHGXBMRKZ-GOSISDBHSA-N -1 0 331.456 3.968 20 0 EHADRM CCCOc1ccc(CN=c2[n-]nc(Cc3cccc(F)c3)o2)cc1 ZINC000540791312 1035686306 /nfs/dbraw/zinc/68/63/06/1035686306.db2.gz SAQONUOWZVOMCQ-UHFFFAOYSA-N -1 0 341.386 3.622 20 0 EHADRM COc1ccc(CN=c2[n-]nc(CC(C)(C)C)o2)c2ccccc12 ZINC000540793297 1035687186 /nfs/dbraw/zinc/68/71/86/1035687186.db2.gz VBGHPKWSWRKFIW-UHFFFAOYSA-N -1 0 325.412 3.854 20 0 EHADRM CCSc1n[n-]c(=NC(=O)c2ccc(SC(C)C)cc2)s1 ZINC000613383885 1035723127 /nfs/dbraw/zinc/72/31/27/1035723127.db2.gz SQZWFWIQTYZTCN-UHFFFAOYSA-N -1 0 339.511 3.825 20 0 EHADRM Fc1cccc2c1SCC[C@H]2N=c1[n-]c(-c2ccccc2)no1 ZINC000588160543 1035732670 /nfs/dbraw/zinc/73/26/70/1035732670.db2.gz BTQJRHGYBAVRKG-CQSZACIVSA-N -1 0 327.384 3.947 20 0 EHADRM O=C([O-])c1cc(NC(=O)C2(c3ccc(F)cc3)CC2)ccc1Cl ZINC000319516608 1035740648 /nfs/dbraw/zinc/74/06/48/1035740648.db2.gz FELHZFCODYSDMI-UHFFFAOYSA-N -1 0 333.746 3.848 20 0 EHADRM Cc1cccc(CS(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F)c1 ZINC000540867381 1035745631 /nfs/dbraw/zinc/74/56/31/1035745631.db2.gz GZNPHGKMOYQFAH-CYBMUJFWSA-N -1 0 337.407 3.782 20 0 EHADRM CCOc1cccc(-c2ccc([S@](=O)CCCC(=O)[O-])cc2)c1 ZINC000571895146 1035779558 /nfs/dbraw/zinc/77/95/58/1035779558.db2.gz PMWAAMQRVOKOKF-HSZRJFAPSA-N -1 0 332.421 3.725 20 0 EHADRM CCc1ccccc1S(=O)(=O)Nc1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000187634352 1035852428 /nfs/dbraw/zinc/85/24/28/1035852428.db2.gz OBGFBVAOJJNGGB-CYBMUJFWSA-N -1 0 347.436 3.628 20 0 EHADRM Cc1ccccc1CN(CCCC(=O)[O-])C(=O)N(C)C1CCCC1 ZINC000549021936 1035882384 /nfs/dbraw/zinc/88/23/84/1035882384.db2.gz PJUWIGVFSVOXRT-UHFFFAOYSA-N -1 0 332.444 3.656 20 0 EHADRM CCC[C@@H](CNC(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)[O-] ZINC000263099286 1035888089 /nfs/dbraw/zinc/88/80/89/1035888089.db2.gz FGRRPFNJVCKQKS-ZDUSSCGKSA-N -1 0 347.386 3.635 20 0 EHADRM CCN(c1ccc(C(=O)Nc2ccc(F)c(F)c2[O-])cn1)C(C)C ZINC000457297470 1035953763 /nfs/dbraw/zinc/95/37/63/1035953763.db2.gz QYVOKUCPDXBOLT-UHFFFAOYSA-N -1 0 335.354 3.552 20 0 EHADRM CC(C)(C)CC(=O)C(C#N)=C([O-])c1sccc1Br ZINC000127526068 1036057089 /nfs/dbraw/zinc/05/70/89/1036057089.db2.gz NWTGGQWUBYRYIN-MRVPVSSYSA-N -1 0 328.231 3.838 20 0 EHADRM Cc1nc(C(=O)N2CC(C)(C)C[C@H]2c2ccccc2)ccc1C(=O)[O-] ZINC000572408551 1036080346 /nfs/dbraw/zinc/08/03/46/1036080346.db2.gz CJRREACVQIAAPJ-KRWDZBQOSA-N -1 0 338.407 3.702 20 0 EHADRM CN(Cc1ccc(O)cc1)C(=O)c1c([O-])cc(Cl)cc1Cl ZINC000175196003 1036235273 /nfs/dbraw/zinc/23/52/73/1036235273.db2.gz MEFIFYGRFVAKTD-UHFFFAOYSA-N -1 0 326.179 3.677 20 0 EHADRM O=S(=O)([N-]c1nc2ccccc2s1)c1cccc(Cl)c1F ZINC000589264029 1036327177 /nfs/dbraw/zinc/32/71/77/1036327177.db2.gz YEANZXRCKFLRRM-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM O=C(N=c1ccc(C(F)(F)F)n[n-]1)c1cscc1-c1ccccc1 ZINC000464315750 1036335825 /nfs/dbraw/zinc/33/58/25/1036335825.db2.gz AJIMFYZMFKAWDT-UHFFFAOYSA-N -1 0 349.337 3.898 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)[C@@H](C)C3CC3)n2)cc1 ZINC000175361665 1036349233 /nfs/dbraw/zinc/34/92/33/1036349233.db2.gz CFGZEMONSFYWHO-ZDUSSCGKSA-N -1 0 327.428 3.572 20 0 EHADRM Cc1cccc2c(CCNC(=O)c3ccc([O-])c(Cl)c3)c[nH]c21 ZINC000175491983 1036383616 /nfs/dbraw/zinc/38/36/16/1036383616.db2.gz PKJYIDYATLMNCH-UHFFFAOYSA-N -1 0 328.799 3.808 20 0 EHADRM Cc1coc(C)c1C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000572535985 1036403612 /nfs/dbraw/zinc/40/36/12/1036403612.db2.gz BRZDQVNWIMWMEJ-UHFFFAOYSA-N -1 0 333.800 3.743 20 0 EHADRM CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000589437424 1036413735 /nfs/dbraw/zinc/41/37/35/1036413735.db2.gz MLVVUZALOSTVDG-UHFFFAOYSA-N -1 0 345.342 3.692 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc3ccc(C)nc32)c(C)c1 ZINC000589439139 1036413796 /nfs/dbraw/zinc/41/37/96/1036413796.db2.gz RGFWIOSGBFYZIH-UHFFFAOYSA-N -1 0 326.421 3.961 20 0 EHADRM Cc1nc(=NC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)s[n-]1 ZINC000464429012 1036431379 /nfs/dbraw/zinc/43/13/79/1036431379.db2.gz MMQAMAMPZFREGV-NSHDSACASA-N -1 0 335.498 3.733 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CC(Cc2cccs2)C1 ZINC000629625597 1036493173 /nfs/dbraw/zinc/49/31/73/1036493173.db2.gz MFNVSRYKRRURDX-UHFFFAOYSA-N -1 0 325.792 3.561 20 0 EHADRM CCC[C@H](CNC(=O)CSc1ccc2ccccc2c1)C(=O)[O-] ZINC000263156643 1036504444 /nfs/dbraw/zinc/50/44/44/1036504444.db2.gz JKNJSIRWKZHQBP-OAHLLOKOSA-N -1 0 331.437 3.549 20 0 EHADRM CN1CCOc2ccc(NC(=O)Nc3ccc(O)c(Cl)c3)cc21 ZINC000192233617 1036506399 /nfs/dbraw/zinc/50/63/99/1036506399.db2.gz GWEHNHLVKINSKF-UHFFFAOYSA-N -1 0 333.775 3.518 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccccc2SC(F)F)C1 ZINC000263164336 1036562848 /nfs/dbraw/zinc/56/28/48/1036562848.db2.gz QZOBTURMRZMLCA-VHSXEESVSA-N -1 0 344.383 3.576 20 0 EHADRM O=C(CC1(C(=O)[O-])CCCCC1)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000319856430 1036631537 /nfs/dbraw/zinc/63/15/37/1036631537.db2.gz OAOXIDYMKLKWEW-NWDGAFQWSA-N -1 0 335.366 3.649 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2nccc3cc(C(F)(F)F)ccc32)C1 ZINC000263218998 1036644548 /nfs/dbraw/zinc/64/45/48/1036644548.db2.gz ORFXYAXMXWBLIC-PWSUYJOCSA-N -1 0 338.329 3.801 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)C2(c3cccc(Cl)c3)CCC2)s[n-]1 ZINC000589937651 1036687467 /nfs/dbraw/zinc/68/74/67/1036687467.db2.gz XWYVIWWZSKRHMJ-UHFFFAOYSA-N -1 0 349.887 3.971 20 0 EHADRM CC(C)Sc1ccccc1C(=O)N=c1cc(C(F)(F)F)[n-][nH]1 ZINC000541834054 1036687667 /nfs/dbraw/zinc/68/76/67/1036687667.db2.gz YVBBRYFWTXXXSF-UHFFFAOYSA-N -1 0 329.347 3.603 20 0 EHADRM C[C@H](C1CC1)N(C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C1CC1 ZINC000666280474 1036748270 /nfs/dbraw/zinc/74/82/70/1036748270.db2.gz QCWVOCOEXNHERH-LLVKDONJSA-N -1 0 345.830 3.634 20 0 EHADRM C[C@H]1CCN(C(=O)N=c2ccc(C3CC3)n[n-]2)CC12CCCCC2 ZINC000462281387 1036772738 /nfs/dbraw/zinc/77/27/38/1036772738.db2.gz ZYMLZRXGRQJSMW-AWEZNQCLSA-N -1 0 328.460 3.600 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1cc(F)ccc1SCC(F)F ZINC000263314599 1036775442 /nfs/dbraw/zinc/77/54/42/1036775442.db2.gz PYTFTZDJHBCPPE-UHFFFAOYSA-N -1 0 335.347 3.766 20 0 EHADRM Cc1ccc(C)c(OCC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c1 ZINC000263330222 1036791319 /nfs/dbraw/zinc/79/13/19/1036791319.db2.gz PTNDMEAWLWZCCY-AWEZNQCLSA-N -1 0 327.380 3.509 20 0 EHADRM Cc1nc(C(=O)N2CCCc3cc(C(C)C)ccc32)ccc1C(=O)[O-] ZINC000263360381 1036821545 /nfs/dbraw/zinc/82/15/45/1036821545.db2.gz TYXURPSBAUGYFD-UHFFFAOYSA-N -1 0 338.407 3.805 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263369792 1036833759 /nfs/dbraw/zinc/83/37/59/1036833759.db2.gz VATHWUIXYSKBNM-MWLCHTKSSA-N -1 0 335.400 3.532 20 0 EHADRM CSc1cc(C(=O)N2CCC[C@]2(C)C(=O)[O-])c(Cl)cc1Cl ZINC000263414825 1036880926 /nfs/dbraw/zinc/88/09/26/1036880926.db2.gz HPTAIBOOBFOPJQ-CQSZACIVSA-N -1 0 348.251 3.795 20 0 EHADRM C[C@@H](C(=O)N(CCC(=O)[O-])C1CC1)c1c(Cl)cccc1Cl ZINC000666362020 1036921425 /nfs/dbraw/zinc/92/14/25/1036921425.db2.gz AHXARYAQFDWOTI-SECBINFHSA-N -1 0 330.211 3.563 20 0 EHADRM CCS[C@@H](C)c1noc(-c2nc[n-]c2C(=O)c2ccccc2)n1 ZINC000350170937 1036942196 /nfs/dbraw/zinc/94/21/96/1036942196.db2.gz SSGQOMRIHGSAQS-JTQLQIEISA-N -1 0 328.397 3.505 20 0 EHADRM Clc1cccc(CN=c2[n-]nc(CCCc3ccccc3)o2)c1 ZINC000539606627 1036969962 /nfs/dbraw/zinc/96/99/62/1036969962.db2.gz MSMWZSCQIVYLHZ-UHFFFAOYSA-N -1 0 327.815 3.932 20 0 EHADRM CCn1cc(C(=O)N[C@@H](CC(=O)[O-])C2CCCCC2)c2ccccc21 ZINC000539607940 1036970498 /nfs/dbraw/zinc/97/04/98/1036970498.db2.gz HFGRQWPEXVDLHP-KRWDZBQOSA-N -1 0 342.439 3.815 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCc1ccc(Cl)s1)C1CCCCC1 ZINC000539612802 1036978004 /nfs/dbraw/zinc/97/80/04/1036978004.db2.gz BUZPDTLEOIIOOQ-ZDUSSCGKSA-N -1 0 343.876 3.874 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000263489927 1036989728 /nfs/dbraw/zinc/98/97/28/1036989728.db2.gz OGLOBXJLHDKFIF-UHFFFAOYSA-N -1 0 347.440 3.939 20 0 EHADRM CCOC(=O)c1csc(=NCc2ccc(OC(C)(C)C)cc2)[n-]1 ZINC000590686788 1037000456 /nfs/dbraw/zinc/00/04/56/1037000456.db2.gz OMSMVULRLKSWQN-UHFFFAOYSA-N -1 0 334.441 3.531 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CCCc2sccc21)c1ccc(F)cc1 ZINC000376463608 1037015135 /nfs/dbraw/zinc/01/51/35/1037015135.db2.gz MXVNJNQIUCQTKM-CABCVRRESA-N -1 0 347.411 3.639 20 0 EHADRM CSc1cc(C(=O)NCCCCCCCC(=O)[O-])ccc1F ZINC000263517294 1037035028 /nfs/dbraw/zinc/03/50/28/1037035028.db2.gz FIKJBHMNHUDVID-UHFFFAOYSA-N -1 0 327.421 3.703 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)CC[C@H](C)c2ccccc2)sc1C(=O)[O-] ZINC000263524041 1037038233 /nfs/dbraw/zinc/03/82/33/1037038233.db2.gz ITUGPAPNSYDEDC-WCQYABFASA-N -1 0 346.452 3.911 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2cccc3ccccc32)on1 ZINC000176581487 1037050219 /nfs/dbraw/zinc/05/02/19/1037050219.db2.gz GZTXCLNCIVEENA-UHFFFAOYSA-N -1 0 330.409 3.926 20 0 EHADRM Cc1ccccc1Cc1nc(=O)c2snc(-c3ccccc3)c2[n-]1 ZINC000542087676 1037052506 /nfs/dbraw/zinc/05/25/06/1037052506.db2.gz RQNIOWBXZGIZRM-UHFFFAOYSA-N -1 0 333.416 3.946 20 0 EHADRM CCCN(CCc1cccc(F)c1)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000539678600 1037061305 /nfs/dbraw/zinc/06/13/05/1037061305.db2.gz MVZSYAPLOCUCIP-UHFFFAOYSA-N -1 0 343.398 3.548 20 0 EHADRM CC(C)c1ccc(CN=c2[n-]nc(Cc3ccccc3F)o2)cc1 ZINC000539692585 1037079891 /nfs/dbraw/zinc/07/98/91/1037079891.db2.gz DMKLVOOEQNXMFL-UHFFFAOYSA-N -1 0 325.387 3.957 20 0 EHADRM FC(F)(F)c1nc(=NCc2cccc(-c3cccnc3)c2)s[n-]1 ZINC000376475804 1037111298 /nfs/dbraw/zinc/11/12/98/1037111298.db2.gz WILAMVSPMKFIPH-UHFFFAOYSA-N -1 0 336.342 3.653 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000590961078 1037143339 /nfs/dbraw/zinc/14/33/39/1037143339.db2.gz HIZHVUNDBDPXRI-UHFFFAOYSA-N -1 0 349.346 3.645 20 0 EHADRM C=CCS(=O)(=O)[N-]C(=O)C=C(C)c1ccccc1C(F)(F)F ZINC000089284973 1037183085 /nfs/dbraw/zinc/18/30/85/1037183085.db2.gz YDSVRAIGYHATAI-KTKRTIGZSA-N -1 0 333.331 3.581 20 0 EHADRM O=S(=O)(Cc1ccccc1)[N-][C@H](C1CCCCC1)C(F)(F)F ZINC000542239287 1037202367 /nfs/dbraw/zinc/20/23/67/1037202367.db2.gz DBPXFVVPOFIRBE-CQSZACIVSA-N -1 0 335.391 3.617 20 0 EHADRM c1c(CN=c2[n-]nc(Cc3ccccc3)s2)onc1-c1ccccc1 ZINC000542278479 1037235562 /nfs/dbraw/zinc/23/55/62/1037235562.db2.gz UQUVCJCJBUIVDN-UHFFFAOYSA-N -1 0 348.431 3.818 20 0 EHADRM CCC[C@H](C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000659118771 1037292569 /nfs/dbraw/zinc/29/25/69/1037292569.db2.gz AJQODRHLIPQKCD-HOTGVXAUSA-N -1 0 349.858 3.937 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1cccc(OC2CCCC2)c1 ZINC000659118859 1037292896 /nfs/dbraw/zinc/29/28/96/1037292896.db2.gz LAWDKLYUTTZXOG-UHFFFAOYSA-N -1 0 329.352 3.860 20 0 EHADRM CC(C)C[C@H]1CCN(C(=O)c2cccc(Br)c2[O-])C1 ZINC000539871721 1037304700 /nfs/dbraw/zinc/30/47/00/1037304700.db2.gz GILWQYUWAVFAMX-LLVKDONJSA-N -1 0 326.234 3.663 20 0 EHADRM CC(C)(C)[C@H]1CCCN1C(=O)c1cccc(Br)c1[O-] ZINC000539872512 1037306691 /nfs/dbraw/zinc/30/66/91/1037306691.db2.gz BSLSLBKSNGIWGT-GFCCVEGCSA-N -1 0 326.234 3.805 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000659128281 1037329480 /nfs/dbraw/zinc/32/94/80/1037329480.db2.gz RWGIVBQCHFOCNH-WMZOPIPTSA-N -1 0 337.419 3.911 20 0 EHADRM CC(C)C[C@H](C(=O)N[C@H](C)CCC(=O)[O-])c1ccc(Cl)cc1 ZINC000659142442 1037364388 /nfs/dbraw/zinc/36/43/88/1037364388.db2.gz SKMJELGHMHVQGQ-DOMZBBRYSA-N -1 0 325.836 3.839 20 0 EHADRM CC1=CC[C@](C)(C(=O)N[C@H](C)[C@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC000659158781 1037381287 /nfs/dbraw/zinc/38/12/87/1037381287.db2.gz FZVSNCBQYHCDJG-SYNHAJSKSA-N -1 0 329.440 3.571 20 0 EHADRM Cc1nc(=NCc2ccc(-c3ccc4c(c3)CCCO4)cc2)s[n-]1 ZINC000462802332 1037424046 /nfs/dbraw/zinc/42/40/46/1037424046.db2.gz MJYQWXALPHEYIP-UHFFFAOYSA-N -1 0 337.448 3.873 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2cc3cc(C)ccc3o2)n1 ZINC000659188977 1037441053 /nfs/dbraw/zinc/44/10/53/1037441053.db2.gz XFDLBKRQERZBOM-ZDUSSCGKSA-N -1 0 341.367 3.616 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3cccc(F)c3o2)[C@H]2CCCC[C@@H]12 ZINC000659190571 1037443146 /nfs/dbraw/zinc/44/31/46/1037443146.db2.gz BVUHOVJSRMHVAU-GUTXKFCHSA-N -1 0 345.370 3.677 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2coc3ccc(F)cc23)[C@@H]2CCCC[C@@H]12 ZINC000659187941 1037450981 /nfs/dbraw/zinc/45/09/81/1037450981.db2.gz AWCMAEXZAQLNDN-WOSRLPQWSA-N -1 0 345.370 3.677 20 0 EHADRM CSc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)cc1 ZINC000659196993 1037453357 /nfs/dbraw/zinc/45/33/57/1037453357.db2.gz ZBCCNDISDCQTOT-HRCADAONSA-N -1 0 333.453 3.514 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)C[C@@H]2CCc3ccccc32)[C@H]2CCCC[C@H]12 ZINC000659197158 1037456245 /nfs/dbraw/zinc/45/62/45/1037456245.db2.gz YWQAJRFKKOWRAX-AITUJVMLSA-N -1 0 341.451 3.598 20 0 EHADRM Cc1ccc(CCCC(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)cc1 ZINC000659196224 1037457031 /nfs/dbraw/zinc/45/70/31/1037457031.db2.gz UDIBJZWLVBMUCH-FHWLQOOXSA-N -1 0 343.467 3.810 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000659193230 1037462805 /nfs/dbraw/zinc/46/28/05/1037462805.db2.gz PADNYLVHNODSNZ-FKSLSLAPSA-N -1 0 341.451 3.590 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000659193240 1037463119 /nfs/dbraw/zinc/46/31/19/1037463119.db2.gz PADNYLVHNODSNZ-SPOLIRPYSA-N -1 0 341.451 3.590 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc(Cl)ccc2F)[C@H]2CCCC[C@H]12 ZINC000659195842 1037464876 /nfs/dbraw/zinc/46/48/76/1037464876.db2.gz RGANADHOXCSCSC-JMSVASOKSA-N -1 0 339.794 3.585 20 0 EHADRM O=C([O-])C[C@H](CNC(=O)CCCc1ccc2ccccc2c1)C1CC1 ZINC000659209100 1037478021 /nfs/dbraw/zinc/47/80/21/1037478021.db2.gz MOUZSGOJZSDUPJ-LJQANCHMSA-N -1 0 339.435 3.780 20 0 EHADRM O=C([O-])C[C@@H](CNC(=O)c1cc(Cl)cc(C(F)(F)F)c1)C1CC1 ZINC000659210150 1037481561 /nfs/dbraw/zinc/48/15/61/1037481561.db2.gz RVDZAFSXRRGDAA-JTQLQIEISA-N -1 0 349.736 3.590 20 0 EHADRM Cc1nc(-c2ccccc2)sc1NC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC000653286872 1037485379 /nfs/dbraw/zinc/48/53/79/1037485379.db2.gz HDOCGMCEFFAUKN-SFHVURJKSA-N -1 0 342.420 3.868 20 0 EHADRM CCCN(Cc1ccccc1F)C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000659215650 1037493867 /nfs/dbraw/zinc/49/38/67/1037493867.db2.gz LBIIRCCBNMTADB-UHFFFAOYSA-N -1 0 335.419 3.845 20 0 EHADRM CN(Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)c1ccccc1 ZINC000007674288 1037531866 /nfs/dbraw/zinc/53/18/66/1037531866.db2.gz MAIHBZNRQDCOLV-UHFFFAOYSA-N -1 0 337.404 3.881 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)NC1CCC(C2CCC2)CC1 ZINC000659231795 1037554005 /nfs/dbraw/zinc/55/40/05/1037554005.db2.gz AOFQXGOGYYAYRN-UHFFFAOYSA-N -1 0 329.440 3.793 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2OCC)cc1 ZINC000591683807 1037555667 /nfs/dbraw/zinc/55/56/67/1037555667.db2.gz UPGNKLPXNPINPB-UHFFFAOYSA-N -1 0 349.452 3.847 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000591690204 1037557630 /nfs/dbraw/zinc/55/76/30/1037557630.db2.gz GOMRZQHAKHGBBX-GVDBMIGSSA-N -1 0 347.842 3.964 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000591690205 1037558668 /nfs/dbraw/zinc/55/86/68/1037558668.db2.gz GOMRZQHAKHGBBX-ZACQAIPSSA-N -1 0 347.842 3.964 20 0 EHADRM Cc1oc(-c2ccccc2)c(C(=O)N[C@H]2CCC[C@@]2(C)C(=O)[O-])c1C ZINC000659243997 1037572159 /nfs/dbraw/zinc/57/21/59/1037572159.db2.gz YFLICTFIGNGYPR-MGPUTAFESA-N -1 0 341.407 3.937 20 0 EHADRM Cc1cc(C)c([N-]S(=O)(=O)c2cc(C)c(F)cc2F)c(C)c1 ZINC000540212187 1037696469 /nfs/dbraw/zinc/69/64/69/1037696469.db2.gz SECWNEBKSMEIIZ-UHFFFAOYSA-N -1 0 325.380 3.999 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)o1 ZINC000540216809 1037702184 /nfs/dbraw/zinc/70/21/84/1037702184.db2.gz IUJAOMJTFBTLNE-UHFFFAOYSA-N -1 0 327.405 3.980 20 0 EHADRM CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000172892039 1037725305 /nfs/dbraw/zinc/72/53/05/1037725305.db2.gz FGPLWOOFTAIZID-UHFFFAOYSA-N -1 0 346.452 3.878 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)c(F)c(Cl)c1)c1cccs1 ZINC000491876083 1037729947 /nfs/dbraw/zinc/72/99/47/1037729947.db2.gz XBLAKACPOFDJCO-UHFFFAOYSA-N -1 0 326.201 3.995 20 0 EHADRM Cc1cc(=NC(=O)N2CCC[C@@H]2CCCc2ccccc2)[n-]nc1C ZINC000494079681 1037828306 /nfs/dbraw/zinc/82/83/06/1037828306.db2.gz OOLRNRWXEPRDOW-SFHVURJKSA-N -1 0 338.455 3.535 20 0 EHADRM O=C([O-])C1CCC(CC(=O)N(Cc2ccccc2F)CC2CC2)CC1 ZINC000659201280 1037850436 /nfs/dbraw/zinc/85/04/36/1037850436.db2.gz KNTFVOIYROUSGD-UHFFFAOYSA-N -1 0 347.430 3.845 20 0 EHADRM c1ccc(-c2n[n-]c(=N[C@@H]3CCOC4(CCCCC4)C3)s2)cc1 ZINC000532609643 1037879245 /nfs/dbraw/zinc/87/92/45/1037879245.db2.gz PNUVFUVHYPASFQ-OAHLLOKOSA-N -1 0 329.469 3.921 20 0 EHADRM O=C(c1c([O-])cc(F)cc1F)N1CCC[C@H](Cc2ccccc2)C1 ZINC000592314656 1037915167 /nfs/dbraw/zinc/91/51/67/1037915167.db2.gz LVAMNHUGUPNAKV-CQSZACIVSA-N -1 0 331.362 3.765 20 0 EHADRM CCC[C@](C)(NC(=O)N[C@H](CC)c1ccc(Cl)s1)C(=O)[O-] ZINC000780575067 1037927393 /nfs/dbraw/zinc/92/73/93/1037927393.db2.gz LKEXOLRWINYLJD-OTYXRUKQSA-N -1 0 332.853 3.795 20 0 EHADRM Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cccc(O[C@@H](C)C(=O)[O-])c2)c1 ZINC000058465012 1037939303 /nfs/dbraw/zinc/93/93/03/1037939303.db2.gz HOBCDTIZHJJABV-PACYTGELSA-N -1 0 349.386 3.945 20 0 EHADRM CC[C@@H](c1n[n-]c(=NCC2(C)CCOCC2)s1)c1ccccc1 ZINC000463251960 1037953834 /nfs/dbraw/zinc/95/38/34/1037953834.db2.gz ICHNQWGZMJNMBH-OAHLLOKOSA-N -1 0 331.485 3.731 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)c1cc2cc(C(F)(F)F)ccc2s1 ZINC000573982727 1037963809 /nfs/dbraw/zinc/96/38/09/1037963809.db2.gz DQLKEOUGMMQJFD-QMMMGPOBSA-N -1 0 345.342 3.903 20 0 EHADRM Cc1nc(C(C)(C)NC(=O)/C=C\c2ccc(C(=O)[O-])cc2)sc1C ZINC000492120630 1038006601 /nfs/dbraw/zinc/00/66/01/1038006601.db2.gz UULCAKSKPBKLHL-YFHOEESVSA-N -1 0 344.436 3.523 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1C ZINC000540496927 1038016360 /nfs/dbraw/zinc/01/63/60/1038016360.db2.gz RPDVMYGXPQHWGR-SECBINFHSA-N -1 0 345.827 3.756 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-]c2nccc3sccc32)cc1F ZINC000184222178 1038018687 /nfs/dbraw/zinc/01/86/87/1038018687.db2.gz KLUCECUNWBIKKA-UHFFFAOYSA-N -1 0 336.413 3.686 20 0 EHADRM CC[C@H]1C[C@H](C(=O)Nc2cc(C)cc(Br)c2O)CCO1 ZINC000180186420 1038071382 /nfs/dbraw/zinc/07/13/82/1038071382.db2.gz LHMZRLHJMNSUHN-MNOVXSKESA-N -1 0 342.233 3.607 20 0 EHADRM CCCN(C(=O)N=c1[n-]nc([C@@H](CC)c2ccccc2)s1)C1CC1 ZINC000540557735 1038093718 /nfs/dbraw/zinc/09/37/18/1038093718.db2.gz QHZDSPRBXALIEM-HNNXBMFYSA-N -1 0 344.484 3.908 20 0 EHADRM CCn1c(C)cc(C([O-])=C[S@@](=O)Cc2cccc(Cl)c2)c1C ZINC000124876341 1038248105 /nfs/dbraw/zinc/24/81/05/1038248105.db2.gz AKUNMYDDWJPJSA-JOCHJYFZSA-N -1 0 337.872 3.910 20 0 EHADRM Clc1cccc(CN=c2[n-]nc(CCCc3cccs3)o2)c1 ZINC000538508553 1038348517 /nfs/dbraw/zinc/34/85/17/1038348517.db2.gz SPHJRLYWTKYKFN-UHFFFAOYSA-N -1 0 333.844 3.994 20 0 EHADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C3CCC3)c2)o1 ZINC000461336573 1038350445 /nfs/dbraw/zinc/35/04/45/1038350445.db2.gz AJDFSDKVUCYJMG-UHFFFAOYSA-N -1 0 349.408 3.525 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)C2(c3cccc(Cl)c3)CCC2)cc1 ZINC000238105980 1038374434 /nfs/dbraw/zinc/37/44/34/1038374434.db2.gz WYIJGHWDGXFGNT-UHFFFAOYSA-N -1 0 343.810 3.776 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000538575145 1038399148 /nfs/dbraw/zinc/39/91/48/1038399148.db2.gz NRULVBOKYYJALV-FQEVSTJZSA-N -1 0 337.419 3.975 20 0 EHADRM Cc1cc(F)ccc1CN=c1[n-]nc(Cc2ccc(Cl)cc2)o1 ZINC000538592543 1038422350 /nfs/dbraw/zinc/42/23/50/1038422350.db2.gz GVUYTMALFHIJCJ-UHFFFAOYSA-N -1 0 331.778 3.795 20 0 EHADRM C[C@H]1[C@@H](C(=O)Nc2cc(Br)cc(Cl)c2[O-])C1(F)F ZINC000461455686 1038438920 /nfs/dbraw/zinc/43/89/20/1038438920.db2.gz DXFKXCLXRNLQDJ-NVNXEXLPSA-N -1 0 340.551 3.648 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)n1cccc1 ZINC000538728533 1038495429 /nfs/dbraw/zinc/49/54/29/1038495429.db2.gz DMARVYBDOTYDQQ-NSHDSACASA-N -1 0 328.393 3.991 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ncccc2-c2ccccc2)c1 ZINC000538847745 1038561289 /nfs/dbraw/zinc/56/12/89/1038561289.db2.gz FBTCSCFKQJDORT-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM Cn1cc(/C=C\c2nc3c(cccc3C(=O)[O-])o2)c(C(C)(C)C)n1 ZINC000416386618 1038614225 /nfs/dbraw/zinc/61/42/25/1038614225.db2.gz IOEGNWVZBXKVRL-HJWRWDBZSA-N -1 0 325.368 3.727 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(c2nc3cc(C(F)(F)F)ccc3s2)C1 ZINC000416403696 1038632546 /nfs/dbraw/zinc/63/25/46/1038632546.db2.gz NZWVUDJFRIBLER-CYBMUJFWSA-N -1 0 330.331 3.616 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)C[C@H](C)O1 ZINC000416416136 1038651489 /nfs/dbraw/zinc/65/14/89/1038651489.db2.gz KEXKJKIRSWQUCL-YALNPMBYSA-N -1 0 339.476 3.510 20 0 EHADRM CCCc1nc(=N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)s[n-]1 ZINC000461952525 1038692777 /nfs/dbraw/zinc/69/27/77/1038692777.db2.gz BOHPOFSWQGXKRV-VIFPVBQESA-N -1 0 349.847 3.789 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2ccc(F)cc2F)c1C ZINC000539192511 1038729375 /nfs/dbraw/zinc/72/93/75/1038729375.db2.gz BZIUFQZODJLMCX-UHFFFAOYSA-N -1 0 329.393 3.796 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000905273716 1038782013 /nfs/dbraw/zinc/78/20/13/1038782013.db2.gz SIJKRROBIRDQKY-BXUZGUMPSA-N -1 0 343.345 3.649 20 0 EHADRM C/C(=C\c1ccccc1)CN(C)C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000910242522 1038784519 /nfs/dbraw/zinc/78/45/19/1038784519.db2.gz TVRJMQNVTLIIFL-NTCAYCPXSA-N -1 0 327.424 3.583 20 0 EHADRM CC(=O)c1cc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)ccc1C ZINC000910297657 1038828127 /nfs/dbraw/zinc/82/81/27/1038828127.db2.gz GDSKTQLVMBOOGB-ZWKOTPCHSA-N -1 0 337.375 3.638 20 0 EHADRM CC(C)c1ccc2ncnc(N3CC[C@]4(C(=O)[O-])CCC[C@H]34)c2c1 ZINC000910327358 1038850351 /nfs/dbraw/zinc/85/03/51/1038850351.db2.gz IRKRHKJFVQXTLH-QFBILLFUSA-N -1 0 325.412 3.587 20 0 EHADRM CCC(F)(F)CN(C)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000905377685 1038850761 /nfs/dbraw/zinc/85/07/61/1038850761.db2.gz YEKFLCYRTTZHFH-NSHDSACASA-N -1 0 336.176 3.552 20 0 EHADRM CSc1ccc(C)c([N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000539399287 1038891403 /nfs/dbraw/zinc/89/14/03/1038891403.db2.gz VKIGVXBXDSCLGX-UHFFFAOYSA-N -1 0 329.393 3.796 20 0 EHADRM Cc1cc2ccccc2nc1N1CCC(C(=O)[O-])(C(F)(F)F)CC1 ZINC000910471967 1038930982 /nfs/dbraw/zinc/93/09/82/1038930982.db2.gz UEKBFNVSWBDRRR-UHFFFAOYSA-N -1 0 338.329 3.777 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1ccc(C(F)F)cc1 ZINC000910510336 1038939496 /nfs/dbraw/zinc/93/94/96/1038939496.db2.gz FMOFTRVFDQOHJW-UHFFFAOYSA-N -1 0 327.371 3.833 20 0 EHADRM C[C@]1(c2ccccc2)CCCN1C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000910505773 1038952974 /nfs/dbraw/zinc/95/29/74/1038952974.db2.gz LTHNUUVKQJMRNH-ZMOVQZPESA-N -1 0 325.364 3.529 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1ccn(C2CCCCC2)n1 ZINC000910506896 1038953250 /nfs/dbraw/zinc/95/32/50/1038953250.db2.gz ISKWWHZVSWKMRY-UHFFFAOYSA-N -1 0 349.475 3.597 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)C(C)(C)N1C(=O)c1cc(C(=O)[O-])ccn1 ZINC000910536757 1038957550 /nfs/dbraw/zinc/95/75/50/1038957550.db2.gz XMBQCAGNISBVAT-CZUORRHYSA-N -1 0 338.407 3.577 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cncc(F)c2)c1Cl ZINC000500545722 1038957772 /nfs/dbraw/zinc/95/77/72/1038957772.db2.gz NFYVEUMNRKYFHY-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)C1CCCC1 ZINC000910567738 1038967624 /nfs/dbraw/zinc/96/76/24/1038967624.db2.gz MHXLGCWDSKXSPV-AVGNSLFASA-N -1 0 335.366 3.505 20 0 EHADRM CC[C@@H](NC(=O)CCSCC(=O)[O-])c1cccc2ccccc21 ZINC000910567073 1038969327 /nfs/dbraw/zinc/96/93/27/1038969327.db2.gz BBZOFKOARKGSFG-MRXNPFEDSA-N -1 0 331.437 3.615 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N2CCC[C@@H](c3ccccc3)C2)s1 ZINC000432739460 1038976666 /nfs/dbraw/zinc/97/66/66/1038976666.db2.gz QXEHFGARTGQNQC-OAHLLOKOSA-N -1 0 344.484 3.714 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N2CC3(CCC3)[C@H]2C(C)C)s1 ZINC000432742466 1039001497 /nfs/dbraw/zinc/00/14/97/1039001497.db2.gz SNNRABGLQRGPEP-CQSZACIVSA-N -1 0 336.505 3.735 20 0 EHADRM CC(C)Cn1ncc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)c1C(C)C ZINC000910649406 1039002267 /nfs/dbraw/zinc/00/22/67/1039002267.db2.gz WOWGBUZVUWXHTF-UHFFFAOYSA-N -1 0 347.459 3.636 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)C(=O)Nc1ncc(CC(=O)[O-])s1 ZINC000910671183 1039011679 /nfs/dbraw/zinc/01/16/79/1039011679.db2.gz XCEXETQQXDONSU-GOSISDBHSA-N -1 0 346.452 3.614 20 0 EHADRM O=C([O-])Cc1occc1C(=O)Nc1nc(C2CCCCC2)cs1 ZINC000910685801 1039019932 /nfs/dbraw/zinc/01/99/32/1039019932.db2.gz RLBQKPXESSCCIT-UHFFFAOYSA-N -1 0 334.397 3.663 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000237498095 1039023556 /nfs/dbraw/zinc/02/35/56/1039023556.db2.gz AWBFNQFBZMIFFC-JTQLQIEISA-N -1 0 344.238 3.785 20 0 EHADRM CC(C)c1sc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)nc1C(=O)[O-] ZINC000910696128 1039024450 /nfs/dbraw/zinc/02/44/50/1039024450.db2.gz CJSGOBFFUDNJGK-NEPJUHHUSA-N -1 0 348.399 3.846 20 0 EHADRM CC(C)c1sc(NC(=O)[C@H](C)c2cccc(F)c2)nc1C(=O)[O-] ZINC000910699015 1039026252 /nfs/dbraw/zinc/02/62/52/1039026252.db2.gz LNXCPGDIAKBKKW-SECBINFHSA-N -1 0 336.388 3.846 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)c2ccc(-c3ccc(F)cc3)o2)s1 ZINC000615152420 1039036425 /nfs/dbraw/zinc/03/64/25/1039036425.db2.gz ZXURKAVDXFDRMD-UHFFFAOYSA-N -1 0 345.399 3.909 20 0 EHADRM CC(C)(C(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1)c1cccc(F)c1 ZINC000910734813 1039041784 /nfs/dbraw/zinc/04/17/84/1039041784.db2.gz XKTKGCKLPXADCJ-UHFFFAOYSA-N -1 0 348.399 3.774 20 0 EHADRM O=C([O-])c1ccc(CNc2cccc(C3SCCS3)c2)nc1 ZINC000905719393 1039049036 /nfs/dbraw/zinc/04/90/36/1039049036.db2.gz RLYZMHLXKRCLCH-UHFFFAOYSA-N -1 0 332.450 3.871 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)[C@@H]2CCC=CCCC2)nc1C(=O)[O-] ZINC000910718822 1039054348 /nfs/dbraw/zinc/05/43/48/1039054348.db2.gz CAPMUXNAIPLEOU-KGLIPLIRSA-N -1 0 348.468 3.950 20 0 EHADRM O=C([O-])c1ccc(CNc2ccc(COC3CCCC3)cc2)nc1 ZINC000905726209 1039063482 /nfs/dbraw/zinc/06/34/82/1039063482.db2.gz LOJIDAFIDKESKY-UHFFFAOYSA-N -1 0 326.396 3.851 20 0 EHADRM CCOC(=O)c1coc(=N[C@@H]2CCc3c2ccc(Cl)c3Cl)[n-]1 ZINC000418874915 1039080956 /nfs/dbraw/zinc/08/09/56/1039080956.db2.gz VQORIGXYBFANAD-LLVKDONJSA-N -1 0 341.194 3.679 20 0 EHADRM O=C([O-])[C@H]1CCCCCN1C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000325607460 1039108688 /nfs/dbraw/zinc/10/86/88/1039108688.db2.gz IRXHQSBMZPDQJM-GFCCVEGCSA-N -1 0 348.296 3.706 20 0 EHADRM CCc1nc(C)c(C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)s1 ZINC000910949597 1039153558 /nfs/dbraw/zinc/15/35/58/1039153558.db2.gz LOYRBCHIMBWNBT-UHFFFAOYSA-N -1 0 336.438 3.686 20 0 EHADRM Oc1cc2c(cc1-c1nc(-c3ccc4ccccc4c3)no1)OCO2 ZINC000436883268 1039162772 /nfs/dbraw/zinc/16/27/72/1039162772.db2.gz CSAUDHZXORBFIZ-UHFFFAOYSA-N -1 0 332.315 3.991 20 0 EHADRM CCN(C(=O)c1cccc([C@H]2CCOC2)c1)c1cccc(C(=O)[O-])c1 ZINC000910968066 1039171402 /nfs/dbraw/zinc/17/14/02/1039171402.db2.gz QUXCABNATIIJBA-KRWDZBQOSA-N -1 0 339.391 3.555 20 0 EHADRM CCNc1ccc(C(=O)[O-])cc1NC(=O)Cc1sc(C)cc1C ZINC000911084339 1039217620 /nfs/dbraw/zinc/21/76/20/1039217620.db2.gz LBWSETOMMNVSLI-UHFFFAOYSA-N -1 0 332.425 3.676 20 0 EHADRM Cc1cccc([C@H]([N-]S(=O)(=O)c2cccs2)C(F)(F)F)c1 ZINC000512459201 1039225766 /nfs/dbraw/zinc/22/57/66/1039225766.db2.gz FBYMPFUPYCEYEZ-LBPRGKRZSA-N -1 0 335.372 3.638 20 0 EHADRM CCCCCC[C@](C)(NC(=O)Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000236722465 1039243866 /nfs/dbraw/zinc/24/38/66/1039243866.db2.gz RJWHTHMYTZRAOL-IBGZPJMESA-N -1 0 330.428 3.640 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1c[nH]nc1-c1ccoc1 ZINC000567258266 1039250349 /nfs/dbraw/zinc/25/03/49/1039250349.db2.gz AJATVAJMWHWBPW-UHFFFAOYSA-N -1 0 338.150 3.934 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000237047480 1039298706 /nfs/dbraw/zinc/29/87/06/1039298706.db2.gz NJSQIOZCNICHRL-KRWDZBQOSA-N -1 0 335.400 3.927 20 0 EHADRM CN(C)c1c(Cl)cccc1NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000911228820 1039302522 /nfs/dbraw/zinc/30/25/22/1039302522.db2.gz AXVLCMFFDFQRCM-UHFFFAOYSA-N -1 0 338.835 3.626 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c(F)c1 ZINC000480219520 1039318207 /nfs/dbraw/zinc/31/82/07/1039318207.db2.gz DHMRXIJVMLZDLF-UHFFFAOYSA-N -1 0 349.305 3.654 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2c3c(ccc2OC)CCC3)s1 ZINC000480222116 1039320175 /nfs/dbraw/zinc/32/01/75/1039320175.db2.gz HKENDTLXELMDFP-UHFFFAOYSA-N -1 0 337.466 3.609 20 0 EHADRM CC(C)c1cc(C(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)no1 ZINC000488727500 1039348519 /nfs/dbraw/zinc/34/85/19/1039348519.db2.gz PQURXUICYGPPNN-UHFFFAOYSA-N -1 0 348.815 3.644 20 0 EHADRM C[C@@H](CN(C)C(=O)c1ccc(SCc2ccccc2)cc1)C(=O)[O-] ZINC000237413671 1039357965 /nfs/dbraw/zinc/35/79/65/1039357965.db2.gz SXRSZEFNVPYIMG-AWEZNQCLSA-N -1 0 343.448 3.772 20 0 EHADRM Cc1cc(NC(=O)CCc2ccc(C(=O)[O-])cc2)c(C)c(C)c1O ZINC000911427830 1039358754 /nfs/dbraw/zinc/35/87/54/1039358754.db2.gz NFWJQVFPCBCWAT-UHFFFAOYSA-N -1 0 327.380 3.587 20 0 EHADRM C[C@H](N=c1[n-]nc(-c2ccccc2)s1)[C@@H]1OCCc2sccc21 ZINC000488748897 1039380643 /nfs/dbraw/zinc/38/06/43/1039380643.db2.gz QHBZISUAAQGANP-NHYWBVRUSA-N -1 0 343.477 3.803 20 0 EHADRM O=C([O-])c1nn2c(c1-c1ccc(Cl)c(OC(F)(F)F)c1)CCC2 ZINC000906248094 1039409621 /nfs/dbraw/zinc/40/96/21/1039409621.db2.gz NZVABXLJOCNRCK-UHFFFAOYSA-N -1 0 346.692 3.747 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)Nc1ccccc1N[C@H](C)c1ccccc1 ZINC000911558989 1039411144 /nfs/dbraw/zinc/41/11/44/1039411144.db2.gz TZJJTXACWJJQTD-ZIAGYGMSSA-N -1 0 326.396 3.909 20 0 EHADRM Cc1coc(-c2cc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])ccc2C)n1 ZINC000911572546 1039418689 /nfs/dbraw/zinc/41/86/89/1039418689.db2.gz HVLNNHOAGKBCKQ-CABCVRRESA-N -1 0 342.395 3.788 20 0 EHADRM C[C@H](CN(C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[O-] ZINC000261947670 1039433789 /nfs/dbraw/zinc/43/37/89/1039433789.db2.gz MNLUUGUAUQTRKY-SSDOTTSWSA-N -1 0 338.713 3.543 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1cc(C(=O)[O-])c(C)cc1F ZINC000911680795 1039455848 /nfs/dbraw/zinc/45/58/48/1039455848.db2.gz GKXLGNDPUZJQBJ-UHFFFAOYSA-N -1 0 333.363 3.642 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N(CCC(F)(F)F)CC2CC2)cc1 ZINC000238019829 1039474537 /nfs/dbraw/zinc/47/45/37/1039474537.db2.gz MTEZUKHYIYNPCM-VMPITWQZSA-N -1 0 341.329 3.589 20 0 EHADRM CCc1cc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])sc1C ZINC000485737993 1039488172 /nfs/dbraw/zinc/48/81/72/1039488172.db2.gz NCLTTWMAZRYHIF-ZDUSSCGKSA-N -1 0 345.464 3.982 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000238098817 1039491410 /nfs/dbraw/zinc/49/14/10/1039491410.db2.gz HYOKJNNKYAARGS-HUUCEWRRSA-N -1 0 339.382 3.610 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000659152468 1039600494 /nfs/dbraw/zinc/60/04/94/1039600494.db2.gz HEGRVWPXCYQVBW-IGCXYCKISA-N -1 0 345.826 3.697 20 0 EHADRM CCc1nc(C)c(CN=c2[n-]nc(-c3ccccc3Cl)s2)o1 ZINC000489068418 1039607977 /nfs/dbraw/zinc/60/79/77/1039607977.db2.gz FHJJYLOIPDPARI-UHFFFAOYSA-N -1 0 334.832 3.751 20 0 EHADRM COCCC1(CNC(=O)c2ccc3[n-]c(=S)oc3c2)CCCCC1 ZINC000187476158 1039649095 /nfs/dbraw/zinc/64/90/95/1039649095.db2.gz HVARIMDEZHZTGT-UHFFFAOYSA-N -1 0 348.468 3.833 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1ccccc1OCCc1ccccc1 ZINC000554730724 1039665276 /nfs/dbraw/zinc/66/52/76/1039665276.db2.gz YQRYASKQHUMRNX-UHFFFAOYSA-N -1 0 341.407 3.892 20 0 EHADRM Cc1cccc2[nH]cc(CC(=O)Nc3cc(C)c(C)c(C(=O)[O-])c3)c21 ZINC000485933334 1039700815 /nfs/dbraw/zinc/70/08/15/1039700815.db2.gz PGGMDUBGZBVRNK-UHFFFAOYSA-N -1 0 336.391 3.973 20 0 EHADRM COc1cccc(Cl)c1C(=O)Nc1cc(C)c(C)c(C(=O)[O-])c1 ZINC000485934725 1039704198 /nfs/dbraw/zinc/70/41/98/1039704198.db2.gz SJFJQMMIGGQMGP-UHFFFAOYSA-N -1 0 333.771 3.916 20 0 EHADRM Cc1cccc(CO[N-]C(=O)[C@@H](OC2CCCC2)c2ccccc2)n1 ZINC000898935067 1039739813 /nfs/dbraw/zinc/73/98/13/1039739813.db2.gz DNNHHNBMABOJJN-IBGZPJMESA-N -1 0 340.423 3.638 20 0 EHADRM O=C([O-])c1ccc2oc(/C=C/c3ccnn3-c3ccccc3)nc2c1 ZINC000485982154 1039747549 /nfs/dbraw/zinc/74/75/49/1039747549.db2.gz VADAMCGZBWUTNA-VQHVLOKHSA-N -1 0 331.331 3.882 20 0 EHADRM Cc1cc2cc(C(=O)N3CCc4ccccc4[C@H]3C(=O)[O-])oc2cc1C ZINC000486018610 1039781100 /nfs/dbraw/zinc/78/11/00/1039781100.db2.gz SMOXPQSOAHTRRZ-IBGZPJMESA-N -1 0 349.386 3.874 20 0 EHADRM Cc1cc(C(F)(F)F)ccc1CN=c1nc(C(F)(F)F)[n-]s1 ZINC000553201364 1039877436 /nfs/dbraw/zinc/87/74/36/1039877436.db2.gz ADEMCWYKZWAXBN-UHFFFAOYSA-N -1 0 341.280 3.918 20 0 EHADRM O=C([O-])c1ccc2oc(/C=C/c3cnc4ccc(Cl)cn34)nc2c1 ZINC000486104018 1039882747 /nfs/dbraw/zinc/88/27/47/1039882747.db2.gz OXBPKTDCOURPEC-ZZXKWVIFSA-N -1 0 339.738 3.998 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnn(CCC(C)C)c2C(C)C)o1 ZINC000486108471 1039887666 /nfs/dbraw/zinc/88/76/66/1039887666.db2.gz LMSBTVYOHSSUEU-UHFFFAOYSA-N -1 0 339.461 3.755 20 0 EHADRM CC[C@](C)(NC(=O)NCc1ccccc1Oc1ccccc1)C(=O)[O-] ZINC000553276209 1039927223 /nfs/dbraw/zinc/92/72/23/1039927223.db2.gz NNYUYRQJWYQJTD-IBGZPJMESA-N -1 0 342.395 3.531 20 0 EHADRM Cc1cc(C2CC2)nc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)n1 ZINC000479124792 1039976909 /nfs/dbraw/zinc/97/69/09/1039976909.db2.gz SULJCRXOIISGDD-UHFFFAOYSA-N -1 0 345.468 3.761 20 0 EHADRM CSCc1cnc(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])s1 ZINC000417561442 1039987656 /nfs/dbraw/zinc/98/76/56/1039987656.db2.gz LFNFOIISSJRERO-ABAIWWIYSA-N -1 0 336.482 3.558 20 0 EHADRM CCCc1csc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)n1 ZINC000417569824 1040003399 /nfs/dbraw/zinc/00/33/99/1040003399.db2.gz VIIHJRWHWFVAMO-AWEZNQCLSA-N -1 0 342.823 3.804 20 0 EHADRM COc1ccc(CNc2ccc(CC(=O)[O-])cc2)cc1OCC(C)C ZINC000417577364 1040022482 /nfs/dbraw/zinc/02/24/82/1040022482.db2.gz JFKFGQJFSNLGSG-UHFFFAOYSA-N -1 0 343.423 3.969 20 0 EHADRM CCc1cnc(CN[C@]2(C(=O)[O-])CCC(C)(C)c3ccccc32)s1 ZINC000417589277 1040041359 /nfs/dbraw/zinc/04/13/59/1040041359.db2.gz QDMZKVHLDQHCFC-LJQANCHMSA-N -1 0 344.480 3.847 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000486275086 1040043577 /nfs/dbraw/zinc/04/35/77/1040043577.db2.gz YHBDQSLMOTTWCS-ZYHUDNBSSA-N -1 0 346.254 3.960 20 0 EHADRM CC(C)c1nn(C)cc1[N-]S(=O)(=O)c1ccccc1C(C)(C)C ZINC000479286150 1040094899 /nfs/dbraw/zinc/09/48/99/1040094899.db2.gz RYBRPTSCVNYECU-UHFFFAOYSA-N -1 0 335.473 3.642 20 0 EHADRM Cc1oc(C(C)(C)C)cc1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000907580955 1040101635 /nfs/dbraw/zinc/10/16/35/1040101635.db2.gz CKDWGXDCCVIPDO-UHFFFAOYSA-N -1 0 331.368 3.601 20 0 EHADRM COc1cc(CNc2ccc(C(C)(C)C(=O)[O-])cc2)cc(OC)c1 ZINC000417628632 1040107118 /nfs/dbraw/zinc/10/71/18/1040107118.db2.gz RCKCKHILLCEQJY-UHFFFAOYSA-N -1 0 329.396 3.678 20 0 EHADRM Cc1oc(C(C)(C)C)cc1C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000907639298 1040113733 /nfs/dbraw/zinc/11/37/33/1040113733.db2.gz IQBDRLWJYIEPFY-CQSZACIVSA-N -1 0 327.380 3.714 20 0 EHADRM C[C@@H](Sc1ccc(NCc2cn(C)nc2C(C)(C)C)cc1)C(=O)[O-] ZINC000417660203 1040124027 /nfs/dbraw/zinc/12/40/27/1040124027.db2.gz QAPSSWNCMMZEFL-GFCCVEGCSA-N -1 0 347.484 3.895 20 0 EHADRM COc1ccc(OC)c(CNc2ccc(S[C@H](C)C(=O)[O-])cc2)c1 ZINC000417660715 1040125077 /nfs/dbraw/zinc/12/50/77/1040125077.db2.gz QTBLGUWDJFDYNA-GFCCVEGCSA-N -1 0 347.436 3.881 20 0 EHADRM O=C([O-])CC[C@@H](CC1CCCCC1)NC(=O)c1cnn(C2CCC2)c1 ZINC000907684534 1040129748 /nfs/dbraw/zinc/12/97/48/1040129748.db2.gz WIEBQGSLEULZCN-INIZCTEOSA-N -1 0 347.459 3.542 20 0 EHADRM FC(F)(F)c1nc(=N[C@@H](C[C@H]2CCOC2)c2ccccc2)s[n-]1 ZINC000553505557 1040132291 /nfs/dbraw/zinc/13/22/91/1040132291.db2.gz ZGTAHWSPHMPMPB-PWSUYJOCSA-N -1 0 343.374 3.559 20 0 EHADRM Cc1cc(F)c(S(=O)(=O)C=C([O-])c2cccc(Cl)c2)cc1F ZINC000555086473 1040145435 /nfs/dbraw/zinc/14/54/35/1040145435.db2.gz MKPSIARNHOKEDW-UHFFFAOYSA-N -1 0 344.766 3.583 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc(C3CC3)oc2C2CC2)[C@@H]2CCC[C@@H]21 ZINC000907736961 1040152111 /nfs/dbraw/zinc/15/21/11/1040152111.db2.gz VRILMYMRPNUNAE-IIAWOOMASA-N -1 0 343.423 3.750 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cc(C(C)=O)ccc1[O-] ZINC000512569544 1040154289 /nfs/dbraw/zinc/15/42/89/1040154289.db2.gz UBXWXCKTOPLPLR-GOSISDBHSA-N -1 0 327.380 3.699 20 0 EHADRM Cc1cc(F)c(NC(=O)c2cnc(CC(C)C)s2)cc1C(=O)[O-] ZINC000907846337 1040209038 /nfs/dbraw/zinc/20/90/38/1040209038.db2.gz YZPIEEAHRZOKJV-UHFFFAOYSA-N -1 0 336.388 3.740 20 0 EHADRM COc1cc(Cl)c(Cl)cc1NC(=O)NCCCCCC(=O)[O-] ZINC000417777780 1040229878 /nfs/dbraw/zinc/22/98/78/1040229878.db2.gz TZFKWEUPCMFDFI-UHFFFAOYSA-N -1 0 349.214 3.769 20 0 EHADRM FC(F)(F)COc1ccccc1[N-]c1nnc([C@H]2CCCO2)o1 ZINC000899246443 1040237282 /nfs/dbraw/zinc/23/72/82/1040237282.db2.gz GNFZKGAESLYGMD-LLVKDONJSA-N -1 0 329.278 3.606 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)C(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@H]12 ZINC000907952195 1040243814 /nfs/dbraw/zinc/24/38/14/1040243814.db2.gz IBLVHVQNKUWWRP-IVPXXNPKSA-N -1 0 343.467 3.507 20 0 EHADRM FC(F)(F)c1n[n-]c(=N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)s1 ZINC000481031127 1040276081 /nfs/dbraw/zinc/27/60/81/1040276081.db2.gz AENXPIZBYVOQMK-CZMCAQCFSA-N -1 0 333.766 3.990 20 0 EHADRM Cc1cc(C(=O)N(C)c2cccc(CC(=O)[O-])c2)c(C)n1C(C)C ZINC000908074907 1040288184 /nfs/dbraw/zinc/28/81/84/1040288184.db2.gz ZLUFGAGOVIHQSF-UHFFFAOYSA-N -1 0 328.412 3.590 20 0 EHADRM C[C@H](CC(=O)N(C)c1cccc(CC(=O)[O-])c1)c1ccccc1F ZINC000908076096 1040288758 /nfs/dbraw/zinc/28/87/58/1040288758.db2.gz ASBQXOAFQAUURO-CYBMUJFWSA-N -1 0 329.371 3.609 20 0 EHADRM CN(C(=O)C1(Cc2ccccc2)CCC1)c1cccc(CC(=O)[O-])c1 ZINC000908080542 1040289642 /nfs/dbraw/zinc/28/96/42/1040289642.db2.gz QIBCEMKCWDAUTB-UHFFFAOYSA-N -1 0 337.419 3.690 20 0 EHADRM CN(C(=O)C(C)(C)Cc1ccccc1)c1cccc(CC(=O)[O-])c1 ZINC000908079900 1040290131 /nfs/dbraw/zinc/29/01/31/1040290131.db2.gz LCYBKMXJIAFVTB-UHFFFAOYSA-N -1 0 325.408 3.545 20 0 EHADRM CSc1cccc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1C ZINC000899312643 1040312693 /nfs/dbraw/zinc/31/26/93/1040312693.db2.gz ZPWLGPGOIGRFSD-CYBMUJFWSA-N -1 0 336.457 3.968 20 0 EHADRM COc1cc(C)cc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])c1C ZINC000899313818 1040315758 /nfs/dbraw/zinc/31/57/58/1040315758.db2.gz QWJQOAJEIMSDDO-AWEZNQCLSA-N -1 0 334.416 3.563 20 0 EHADRM CCCc1nc(C)c(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])s1 ZINC000899313628 1040316023 /nfs/dbraw/zinc/31/60/23/1040316023.db2.gz OKEZWGLZFHXIMN-LBPRGKRZSA-N -1 0 339.461 3.655 20 0 EHADRM COc1cccc2[nH]cc(CC(=O)Nc3cc(Cl)c([O-])cc3F)c21 ZINC000553686203 1040330370 /nfs/dbraw/zinc/33/03/70/1040330370.db2.gz AYCDCADGUVBJND-UHFFFAOYSA-N -1 0 348.761 3.856 20 0 EHADRM CCCCCS(=O)(=O)[N-][C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000486726933 1040388548 /nfs/dbraw/zinc/38/85/48/1040388548.db2.gz CWNYZJNKKHNROW-LBPRGKRZSA-N -1 0 327.343 3.539 20 0 EHADRM COc1ccc([C@H](C)CC(=O)NCCCCC2(C(=O)[O-])CCC2)cc1 ZINC000908338325 1040399052 /nfs/dbraw/zinc/39/90/52/1040399052.db2.gz IUOGFFCDHARHHR-OAHLLOKOSA-N -1 0 347.455 3.730 20 0 EHADRM Cc1[nH]c2ccccc2c1C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908337689 1040399355 /nfs/dbraw/zinc/39/93/55/1040399355.db2.gz GBJYKLHRBQVRAA-UHFFFAOYSA-N -1 0 328.412 3.631 20 0 EHADRM Cc1nc2ccccc2cc1C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908328234 1040410973 /nfs/dbraw/zinc/41/09/73/1040410973.db2.gz JVCDKDMVQCMXEI-UHFFFAOYSA-N -1 0 340.423 3.698 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N[C@@H]3CC[C@H](CC(=O)[O-])C3)s2)o1 ZINC000908375209 1040420249 /nfs/dbraw/zinc/42/02/49/1040420249.db2.gz JKSNEIPFFAAGRW-NWDGAFQWSA-N -1 0 333.409 3.690 20 0 EHADRM CC(C)c1cc(C(=O)Nc2cc(F)c(OC(F)F)cc2F)on1 ZINC000490273353 1040451282 /nfs/dbraw/zinc/45/12/82/1040451282.db2.gz QQWQUIBAHBOEFP-UHFFFAOYSA-N -1 0 332.253 3.930 20 0 EHADRM C[C@@H](Sc1ccccc1Cl)C(=O)N=c1cc(C(F)(F)F)[n-][nH]1 ZINC000479637452 1040471672 /nfs/dbraw/zinc/47/16/72/1040471672.db2.gz OSTYQMNBXMFPLC-SSDOTTSWSA-N -1 0 349.765 3.623 20 0 EHADRM CCc1sc(C(=O)N=c2[n-]nc(/C=C/c3ccco3)s2)cc1C ZINC000490315845 1040478900 /nfs/dbraw/zinc/47/89/00/1040478900.db2.gz NPMXNFGGTMXTPZ-VOTSOKGWSA-N -1 0 345.449 3.908 20 0 EHADRM Cc1cc(Nc2cn3c(cccc3Br)n2)ccc1C(=O)[O-] ZINC001211655063 1040529815 /nfs/dbraw/zinc/52/98/15/1040529815.db2.gz LYCLLZUNRTVILP-UHFFFAOYSA-N -1 0 346.184 3.847 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)Nc1cccc(C2CCOCC2)c1)C(=O)[O-] ZINC000908626859 1040537096 /nfs/dbraw/zinc/53/70/96/1040537096.db2.gz DAHVGXUOZAYIPA-MRXNPFEDSA-N -1 0 348.443 3.592 20 0 EHADRM CCCCC[C@@H](NC(=O)CC1CCC(C(F)(F)F)CC1)C(=O)[O-] ZINC000191083842 1040541139 /nfs/dbraw/zinc/54/11/39/1040541139.db2.gz GYWKSAXZJNXXRK-WXRRBKDZSA-N -1 0 337.382 3.895 20 0 EHADRM CC(C)(C)OCc1cccc(NC(=O)N2CCCCC[C@@H]2C(=O)[O-])c1 ZINC000908634251 1040541588 /nfs/dbraw/zinc/54/15/88/1040541588.db2.gz GUBGHJARFAZHLI-MRXNPFEDSA-N -1 0 348.443 3.863 20 0 EHADRM CCC[C@@]1(C(=O)[O-])CCCN1C(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000908621097 1040547646 /nfs/dbraw/zinc/54/76/46/1040547646.db2.gz QKGFMVWDUIAMPU-SFHVURJKSA-N -1 0 329.400 3.728 20 0 EHADRM CC(C)=CC[C@@H](NC(=O)Nc1cccc(COCC2CC2)c1)C(=O)[O-] ZINC000908619610 1040548243 /nfs/dbraw/zinc/54/82/43/1040548243.db2.gz ULEBXMLTGIETJE-QGZVFWFLSA-N -1 0 346.427 3.544 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N[C@H](c2ccccc2C)C2CC2)s1 ZINC000490437587 1040553470 /nfs/dbraw/zinc/55/34/70/1040553470.db2.gz UJDYTIPHTWFRSH-INIZCTEOSA-N -1 0 344.484 3.884 20 0 EHADRM CN(C(=O)Nc1ccc(C2CCC2)cn1)[C@H](C(=O)[O-])c1ccccc1 ZINC000908680860 1040569760 /nfs/dbraw/zinc/56/97/60/1040569760.db2.gz HGALQHXUOPVCLX-KRWDZBQOSA-N -1 0 339.395 3.639 20 0 EHADRM Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)c(Cl)c1C ZINC000908641378 1040570906 /nfs/dbraw/zinc/57/09/06/1040570906.db2.gz FAKUZFDXNPRFPQ-LBPRGKRZSA-N -1 0 337.828 3.964 20 0 EHADRM Cc1noc(C)c1C(C)(C)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000908685211 1040573856 /nfs/dbraw/zinc/57/38/56/1040573856.db2.gz YBDLNKUNUCMXMI-UHFFFAOYSA-N -1 0 336.775 3.559 20 0 EHADRM Cc1nc(CC(C)C)oc1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000908689269 1040576524 /nfs/dbraw/zinc/57/65/24/1040576524.db2.gz WLCTXFVBCAGVLK-UHFFFAOYSA-N -1 0 336.775 3.785 20 0 EHADRM FC(F)(F)c1ccccc1CN=c1[n-]nc(Cc2ccccc2)o1 ZINC000479768518 1040605403 /nfs/dbraw/zinc/60/54/03/1040605403.db2.gz CMLFZQPUGDPYGV-UHFFFAOYSA-N -1 0 333.313 3.713 20 0 EHADRM CCOc1ccc([C@H](C)NC(=O)c2ccccc2CCC(=O)[O-])cc1 ZINC000908738305 1040620378 /nfs/dbraw/zinc/62/03/78/1040620378.db2.gz XOUZSNHZOZLOMS-AWEZNQCLSA-N -1 0 341.407 3.594 20 0 EHADRM COc1cc(/C=C\c2nc(C(=O)[O-])c(C)s2)cc(Cl)c1O ZINC000555463265 1040623191 /nfs/dbraw/zinc/62/31/91/1040623191.db2.gz DJDOTQFCYQYXJX-ARJAWSKDSA-N -1 0 325.773 3.688 20 0 EHADRM CC(C)CCOc1cccc(NC(=O)c2ccoc2CC(=O)[O-])c1 ZINC000908757542 1040635790 /nfs/dbraw/zinc/63/57/90/1040635790.db2.gz BSVPHKAMPSVRJU-UHFFFAOYSA-N -1 0 331.368 3.584 20 0 EHADRM O=C([O-])CCN(CC1CC1)C(=O)c1csc(C2CCCCC2)n1 ZINC000908876368 1040699148 /nfs/dbraw/zinc/69/91/48/1040699148.db2.gz USYBGVBKVREQBH-UHFFFAOYSA-N -1 0 336.457 3.518 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)c1ccc(NCc2ccsc2)cc1 ZINC000908882799 1040700922 /nfs/dbraw/zinc/70/09/22/1040700922.db2.gz GEMLEEMCDUYJRD-UHFFFAOYSA-N -1 0 346.452 3.543 20 0 EHADRM C[C@@H](NC(=O)N=c1ncn(C2CCCCC2)[n-]1)c1ccccc1Cl ZINC000487224630 1040811300 /nfs/dbraw/zinc/81/13/00/1040811300.db2.gz CWQKJNJAXVIPHT-GFCCVEGCSA-N -1 0 347.850 3.741 20 0 EHADRM C[C@@H]1C[C@H](C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CCC1=O ZINC000909118829 1040813773 /nfs/dbraw/zinc/81/37/73/1040813773.db2.gz FDDDUZSLUWLHKK-NXEZZACHSA-N -1 0 331.393 3.543 20 0 EHADRM C[C@@H](CC(=O)NCCCCCCC(=O)[O-])c1c[nH]c2ccccc21 ZINC000909144022 1040842963 /nfs/dbraw/zinc/84/29/63/1040842963.db2.gz AGDFYJDZDGNTFQ-AWEZNQCLSA-N -1 0 330.428 3.813 20 0 EHADRM CCCCn1cc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c(C)n1 ZINC000909271351 1040893887 /nfs/dbraw/zinc/89/38/87/1040893887.db2.gz AWUUJFAXDGZLLM-UHFFFAOYSA-N -1 0 335.791 3.596 20 0 EHADRM COc1cccc([C@@H](C)CCCC(=O)NCc2ccc(C(=O)[O-])o2)c1 ZINC000909261461 1040904337 /nfs/dbraw/zinc/90/43/37/1040904337.db2.gz IYCQTKDQBKNPPJ-ZDUSSCGKSA-N -1 0 345.395 3.577 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2coc(C3CCCCC3)n2)c1 ZINC000909318331 1040927151 /nfs/dbraw/zinc/92/71/51/1040927151.db2.gz INCZRTXKTUDDCD-UHFFFAOYSA-N -1 0 332.331 3.812 20 0 EHADRM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)c2csc(C(=O)[O-])n2)cc1 ZINC000909727818 1040969201 /nfs/dbraw/zinc/96/92/01/1040969201.db2.gz GKMJTDMFZIPRRY-ZFWWWQNUSA-N -1 0 344.436 3.558 20 0 EHADRM COc1c(F)ccc(F)c1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000163653665 1040983446 /nfs/dbraw/zinc/98/34/46/1040983446.db2.gz BHPROPAASHUXSL-UHFFFAOYSA-N -1 0 336.319 3.656 20 0 EHADRM CC[C@H](c1n[n-]c(=NC(=O)N2CC[C@H]2CC)s1)c1ccccc1 ZINC000433175842 1040984672 /nfs/dbraw/zinc/98/46/72/1040984672.db2.gz PIMYGEGWVMITFZ-KGLIPLIRSA-N -1 0 330.457 3.518 20 0 EHADRM CCC[C@@H](CNC(=O)c1sc2cccc(F)c2c1Cl)C(=O)[O-] ZINC000909806329 1041017372 /nfs/dbraw/zinc/01/73/72/1041017372.db2.gz DZCLJGQTEHKSPO-QMMMGPOBSA-N -1 0 343.807 3.925 20 0 EHADRM CC(C)(CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21)CC(F)(F)F ZINC000909962549 1041084153 /nfs/dbraw/zinc/08/41/53/1041084153.db2.gz OXSNGWNPSZMRBH-AVGNSLFASA-N -1 0 349.393 3.847 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCc1c(Cl)cccc1Cl ZINC000655544321 1041090716 /nfs/dbraw/zinc/09/07/16/1041090716.db2.gz NYQBPRNEGICFJG-MNOVXSKESA-N -1 0 344.238 3.638 20 0 EHADRM CCOc1ccc(NC(=O)C[C@H](C(=O)[O-])c2ccc(C)cc2)c(C)c1 ZINC000899766036 1041096187 /nfs/dbraw/zinc/09/61/87/1041096187.db2.gz RGQLTUJBCZQTKG-KRWDZBQOSA-N -1 0 341.407 3.899 20 0 EHADRM COc1cc(C)cc(NC(=O)C[C@@H](C(=O)[O-])c2ccc(C)cc2)c1C ZINC000899777785 1041099871 /nfs/dbraw/zinc/09/98/71/1041099871.db2.gz BWKBKLLPUKVNNC-MRXNPFEDSA-N -1 0 341.407 3.817 20 0 EHADRM C[C@@H](NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-])c1cc2ccccc2o1 ZINC000899778498 1041102804 /nfs/dbraw/zinc/10/28/04/1041102804.db2.gz IGESKVCBRMCOHR-WWHMURSLSA-N -1 0 339.391 3.523 20 0 EHADRM CC(=O)c1cc(NC(=O)C[C@H](C(=O)[O-])c2ccc(C)cc2)ccc1C ZINC000899792440 1041117212 /nfs/dbraw/zinc/11/72/12/1041117212.db2.gz PTJAXWUGSLPABV-SFHVURJKSA-N -1 0 339.391 3.703 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000570964091 1041127698 /nfs/dbraw/zinc/12/76/98/1041127698.db2.gz AHTOIKIOOQAYQC-GXSJLCMTSA-N -1 0 342.848 3.636 20 0 EHADRM Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000909994566 1041133057 /nfs/dbraw/zinc/13/30/57/1041133057.db2.gz XKDLBPXTVCOIKC-SUMWQHHRSA-N -1 0 334.803 3.503 20 0 EHADRM C[C@H](C(=O)N[C@H]1CCC[C@]1(C)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000909996333 1041134384 /nfs/dbraw/zinc/13/43/84/1041134384.db2.gz PXCZCYBAODPRQO-NKFCBESUSA-N -1 0 343.345 3.569 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)[C@H]3C[C@@]3(C(=O)[O-])C(C)C)cc2)oc1C ZINC000899802895 1041140822 /nfs/dbraw/zinc/14/08/22/1041140822.db2.gz KFDOBRDKQCDDMC-DNVCBOLYSA-N -1 0 342.395 3.644 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000910012275 1041149961 /nfs/dbraw/zinc/14/99/61/1041149961.db2.gz OFQIJILSTMSYGS-YPMHNXCESA-N -1 0 343.345 3.522 20 0 EHADRM C/C=C(\CC)C(=O)N1CCC([C@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000910034607 1041155662 /nfs/dbraw/zinc/15/56/62/1041155662.db2.gz VYTBPPHBEPKZCV-KPGDTVGWSA-N -1 0 329.440 3.840 20 0 EHADRM CC/C(C)=C\C(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC000910084452 1041167747 /nfs/dbraw/zinc/16/77/47/1041167747.db2.gz UTOXDQSNGCBASL-YVMONPNESA-N -1 0 326.190 3.751 20 0 EHADRM Cc1ccc([C@H](CC(=O)N2CCc3ccccc3[C@H]2C)C(=O)[O-])cc1 ZINC000899818795 1041176589 /nfs/dbraw/zinc/17/65/89/1041176589.db2.gz IJBYBJJUQCWNNY-BEFAXECRSA-N -1 0 337.419 3.699 20 0 EHADRM Cc1ccc([C@H](CC(=O)N[C@@H]2CSc3ccccc32)C(=O)[O-])cc1 ZINC000899819807 1041176692 /nfs/dbraw/zinc/17/66/92/1041176692.db2.gz QHJCIBDZGWJNSL-JKSUJKDBSA-N -1 0 341.432 3.517 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N[C@H](CF)c2ccc(F)cc2)C(=O)[O-])cc1 ZINC000899833817 1041178927 /nfs/dbraw/zinc/17/89/27/1041178927.db2.gz OZHPIPBEGGVEBV-IAGOWNOFSA-N -1 0 347.361 3.519 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)[C@H]2CC(C)(C)Oc3ccccc32)s[n-]1 ZINC000411971759 1041186248 /nfs/dbraw/zinc/18/62/48/1041186248.db2.gz KHYQFFNGUKYWFG-LBPRGKRZSA-N -1 0 345.468 3.541 20 0 EHADRM Cc1oc(C(C)C)nc1C(=O)N1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000910101327 1041190779 /nfs/dbraw/zinc/19/07/79/1041190779.db2.gz ZFQMHMIYQZJBIP-LSDHHAIUSA-N -1 0 342.395 3.537 20 0 EHADRM CC1CCC(=CC(=O)N2CCC[C@H]2c2nc(C(=O)[O-])cs2)CC1 ZINC000910115826 1041197591 /nfs/dbraw/zinc/19/75/91/1041197591.db2.gz VYKDSIOSVHIGBC-IAXJKZSUSA-N -1 0 334.441 3.641 20 0 EHADRM COc1ccc([C@H](NC(=O)CC2(CC(=O)[O-])CCC2)C2CCC2)cc1 ZINC000899840704 1041202023 /nfs/dbraw/zinc/20/20/23/1041202023.db2.gz OJYIEMRSILYLDD-LJQANCHMSA-N -1 0 345.439 3.688 20 0 EHADRM COc1ccc([C@H](NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C2CCC2)cc1 ZINC000899841346 1041202329 /nfs/dbraw/zinc/20/23/29/1041202329.db2.gz SEPKYHKBHIFQTI-SOLBZPMBSA-N -1 0 345.439 3.544 20 0 EHADRM CCC(CC)(CC(=O)Nc1cc(F)c(Cl)cc1OC)C(=O)[O-] ZINC000899851431 1041210213 /nfs/dbraw/zinc/21/02/13/1041210213.db2.gz UWVGCRUXDHWYIM-UHFFFAOYSA-N -1 0 331.771 3.707 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)Nc1cccc(CC(F)(F)F)c1)C1CC1 ZINC000555853004 1041228612 /nfs/dbraw/zinc/22/86/12/1041228612.db2.gz QTESHCCEQHLBDY-CYBMUJFWSA-N -1 0 344.333 3.651 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)NC1(C2CCCCC2)CC1)c1ccsc1 ZINC000899855166 1041235708 /nfs/dbraw/zinc/23/57/08/1041235708.db2.gz SRKPULBTDAYLAJ-QGZVFWFLSA-N -1 0 335.469 3.710 20 0 EHADRM C/C=C/C[C@H](NC(=O)Nc1ccc2nc(C(C)C)sc2c1)C(=O)[O-] ZINC000555851722 1041242263 /nfs/dbraw/zinc/24/22/63/1041242263.db2.gz LBECIRRZPBLUSZ-IHVVCDCBSA-N -1 0 347.440 3.961 20 0 EHADRM COc1ccccc1-c1cccc(NC(=O)N(CC(=O)[O-])C(C)C)c1 ZINC000555851549 1041242872 /nfs/dbraw/zinc/24/28/72/1041242872.db2.gz GFIMSALDQCOWDI-UHFFFAOYSA-N -1 0 342.395 3.689 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)c1cccc(Oc2nccs2)c1)C(=O)[O-] ZINC000652077128 1041245095 /nfs/dbraw/zinc/24/50/95/1041245095.db2.gz PGVHNHLDRCKDEW-CYBMUJFWSA-N -1 0 348.424 3.555 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N[C@@H]1C[C@H]1CC(C)(C)C)C(=O)[O-] ZINC000652083897 1041413592 /nfs/dbraw/zinc/41/35/92/1041413592.db2.gz QHNHYFUWJJDWBR-SGMGOOAPSA-N -1 0 335.469 3.806 20 0 EHADRM CCCC[C@@H](NC(=O)Cc1csc2ccc(Cl)cc12)C(=O)[O-] ZINC000431988585 1041450555 /nfs/dbraw/zinc/45/05/55/1041450555.db2.gz XSLPSHZYNNWWLW-CYBMUJFWSA-N -1 0 339.844 3.857 20 0 EHADRM CCO[C@@H](CC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1)C1=CCCC1 ZINC000432004085 1041462524 /nfs/dbraw/zinc/46/25/24/1041462524.db2.gz XBRGQOQTYDRUNR-KDOFPFPSSA-N -1 0 345.439 3.794 20 0 EHADRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000511699355 1041476776 /nfs/dbraw/zinc/47/67/76/1041476776.db2.gz GTANUQYJWVQMMH-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM CSc1cc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c(C)o1 ZINC000909336571 1041481286 /nfs/dbraw/zinc/48/12/86/1041481286.db2.gz ZPJDKQCGPJIFJL-UHFFFAOYSA-N -1 0 349.408 3.806 20 0 EHADRM CN(C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])c1ccc(F)cc1 ZINC000193865450 1041593149 /nfs/dbraw/zinc/59/31/49/1041593149.db2.gz GLIJJPBDXVLVJE-UHFFFAOYSA-N -1 0 345.761 3.647 20 0 EHADRM C[C@@]1(NC(=O)c2cc3cc(F)ccc3s2)CCCC[C@H]1C(=O)[O-] ZINC000432114976 1041611088 /nfs/dbraw/zinc/61/10/88/1041611088.db2.gz VQSGQTRIRYKRRK-YVEFUNNKSA-N -1 0 335.400 3.804 20 0 EHADRM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)CC1(CC(=O)[O-])CCCCC1 ZINC000392320048 1041615373 /nfs/dbraw/zinc/61/53/73/1041615373.db2.gz SUSZMLDPAVVEIN-GFCCVEGCSA-N -1 0 349.393 3.991 20 0 EHADRM C[C@H](N=c1[n-]nc(C2CC2)s1)c1nc2ccccc2n1C(F)F ZINC000432121236 1041615884 /nfs/dbraw/zinc/61/58/84/1041615884.db2.gz VDMVVAVCTNHSRH-QMMMGPOBSA-N -1 0 335.383 3.755 20 0 EHADRM C[C@](CNC(=O)N1CCCC12CCCCC2)(C(=O)[O-])c1ccccc1 ZINC000652112785 1041623475 /nfs/dbraw/zinc/62/34/75/1041623475.db2.gz PBNGBQQGTHXTSJ-LJQANCHMSA-N -1 0 344.455 3.537 20 0 EHADRM CCC[C@@H](N=c1ccc(C(=O)NC2CCCC2)n[n-]1)c1ccccc1 ZINC000432142768 1041648158 /nfs/dbraw/zinc/64/81/58/1041648158.db2.gz GQHOBDMMDPFUFL-QGZVFWFLSA-N -1 0 338.455 3.524 20 0 EHADRM CC(C)(CN=c1[n-]nc(C(F)F)o1)c1ccc(C(F)(F)F)cc1 ZINC000432164444 1041680000 /nfs/dbraw/zinc/68/00/00/1041680000.db2.gz DRJQCARPFSIPQO-UHFFFAOYSA-N -1 0 335.276 3.838 20 0 EHADRM CCc1cc(C)cc(CC)c1NC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000647701505 1041804894 /nfs/dbraw/zinc/80/48/94/1041804894.db2.gz YSEIHVOJPJKKBP-UHFFFAOYSA-N -1 0 332.444 3.838 20 0 EHADRM CC(C)C[C@@H]1CCCCN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000119334496 1042198051 /nfs/dbraw/zinc/19/80/51/1042198051.db2.gz MRECRPSGPSMFBK-INIZCTEOSA-N -1 0 327.428 3.619 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)c2cc(F)c([O-])c(Cl)c2)cc1F ZINC000184194819 1042231568 /nfs/dbraw/zinc/23/15/68/1042231568.db2.gz QANZLAYJUKEQGS-MRVPVSSYSA-N -1 0 341.741 3.823 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc2cc(Cl)ccc2s1 ZINC000663058248 1042407112 /nfs/dbraw/zinc/40/71/12/1042407112.db2.gz XCVMRVSBHSJQDT-ZJUUUORDSA-N -1 0 337.828 3.880 20 0 EHADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(Oc2ccncc2)cc1 ZINC000663072303 1042421798 /nfs/dbraw/zinc/42/17/98/1042421798.db2.gz ZESNAOWFJJSECN-HNNXBMFYSA-N -1 0 328.368 3.559 20 0 EHADRM C[C@H](NC(=O)[C@H](C(=O)[O-])C(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC000663077428 1042425222 /nfs/dbraw/zinc/42/52/22/1042425222.db2.gz NIUPLCBDSQYEEA-JOYOIKCWSA-N -1 0 331.334 3.630 20 0 EHADRM Cc1ccc(-c2csc(NC(=O)C3(C(=O)[O-])CC=CC3)n2)s1 ZINC000663086545 1042434317 /nfs/dbraw/zinc/43/43/17/1042434317.db2.gz OBHPKLVMNLCVIL-UHFFFAOYSA-N -1 0 334.422 3.540 20 0 EHADRM Cc1nc(-c2ccsc2)ccc1C(=O)N(CC(=O)[O-])CC(C)(C)C ZINC000663136166 1042485704 /nfs/dbraw/zinc/48/57/04/1042485704.db2.gz BPKASYMKNFOMLR-UHFFFAOYSA-N -1 0 346.452 3.691 20 0 EHADRM Cc1c(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)sc2nccc(C)c12 ZINC000663139746 1042488398 /nfs/dbraw/zinc/48/83/98/1042488398.db2.gz MVWLGHKTYPESOM-ZDUSSCGKSA-N -1 0 348.468 3.780 20 0 EHADRM C[C@@H](CNC(=O)c1cc(F)c([O-])c(Cl)c1)Oc1cccc(F)c1 ZINC000184451196 1042549486 /nfs/dbraw/zinc/54/94/86/1042549486.db2.gz PMTGDTWSQVLPGM-VIFPVBQESA-N -1 0 341.741 3.521 20 0 EHADRM COC[C@@H](C)Oc1ccc(/C=C\c2nc(C(=O)[O-])c(C)s2)cc1 ZINC000663227155 1042575935 /nfs/dbraw/zinc/57/59/35/1042575935.db2.gz MWMXGHAKHGIQMD-DHHDDZJSSA-N -1 0 333.409 3.734 20 0 EHADRM Cc1csc(S(=O)(=O)[N-]c2ccc(O[C@H]3CC3(F)F)cc2)c1 ZINC000663262916 1042610959 /nfs/dbraw/zinc/61/09/59/1042610959.db2.gz ZURJSQXRYGIXIL-LBPRGKRZSA-N -1 0 345.392 3.644 20 0 EHADRM CSCCc1ccccc1[N-]S(=O)(=O)c1ccc(C)s1 ZINC000601980114 1042654021 /nfs/dbraw/zinc/65/40/21/1042654021.db2.gz YEKYUMPJOVHMEU-UHFFFAOYSA-N -1 0 327.496 3.763 20 0 EHADRM C[C@H](CCC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC000653328886 1042657809 /nfs/dbraw/zinc/65/78/09/1042657809.db2.gz ONIFJMCYRPSMJP-MDASCCDHSA-N -1 0 337.419 4.000 20 0 EHADRM CC1(c2ccccc2)CCN(C(=O)c2cc(F)c([O-])c(F)c2)CC1 ZINC000186929312 1042725818 /nfs/dbraw/zinc/72/58/18/1042725818.db2.gz VYALLYIXCWIBEB-UHFFFAOYSA-N -1 0 331.362 3.864 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000066503724 1042769056 /nfs/dbraw/zinc/76/90/56/1042769056.db2.gz NTIORRPGKJXVOA-LSDHHAIUSA-N -1 0 335.812 3.789 20 0 EHADRM Cc1ccnc(CN=c2[n-]nc(Cc3ccc(Cl)cc3)s2)c1 ZINC000549604773 1042777877 /nfs/dbraw/zinc/77/78/77/1042777877.db2.gz BGONJRBZCOGTOO-UHFFFAOYSA-N -1 0 330.844 3.520 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC000796806856 1042861899 /nfs/dbraw/zinc/86/18/99/1042861899.db2.gz FAEOVDZWCFDODQ-OLZOCXBDSA-N -1 0 343.876 3.670 20 0 EHADRM CC(C)CN(C(=O)N=c1ncn(C2CCCCC2)[n-]1)C1CCCC1 ZINC000544631892 1042909045 /nfs/dbraw/zinc/90/90/45/1042909045.db2.gz CUISWFUIVJSQLS-UHFFFAOYSA-N -1 0 333.480 3.638 20 0 EHADRM Cc1cccc2c1CCC[C@@H]2NC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC001167822249 1042921327 /nfs/dbraw/zinc/92/13/27/1042921327.db2.gz GGDYVMUJZNSGTP-SFHVURJKSA-N -1 0 347.418 3.694 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N[C@@H]2CCC[C@H](SC)C2)s1 ZINC000343960096 1042951998 /nfs/dbraw/zinc/95/19/98/1042951998.db2.gz HTUMISMEHAOZKG-NEPJUHHUSA-N -1 0 342.534 3.659 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H]1C(=O)Nc1ccccc1SC(F)(F)F ZINC000317251870 1042970744 /nfs/dbraw/zinc/97/07/44/1042970744.db2.gz GHYJLKVLWIIFIM-RKDXNWHRSA-N -1 0 333.331 3.738 20 0 EHADRM Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2Cl)s1 ZINC000314729153 1042981193 /nfs/dbraw/zinc/98/11/93/1042981193.db2.gz JZMLXZJEGGLMNA-UHFFFAOYSA-N -1 0 345.829 3.517 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnccc2-c2ccccc2)c(F)c1 ZINC000432347635 1042984318 /nfs/dbraw/zinc/98/43/18/1042984318.db2.gz NYCUUYAEKPWHEL-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM CCC(CC)(CNC(=O)C(C)(C)c1ccc(Cl)cc1)C(=O)[O-] ZINC000236825543 1043047945 /nfs/dbraw/zinc/04/79/45/1043047945.db2.gz WUUPDIJGXHUFAD-UHFFFAOYSA-N -1 0 325.836 3.625 20 0 EHADRM O=S(=O)([N-]c1cc(-c2ccc(Cl)s2)on1)c1ccsc1 ZINC000351396725 1043386273 /nfs/dbraw/zinc/38/62/73/1043386273.db2.gz LVSSCNZCKVWHMH-UHFFFAOYSA-N -1 0 346.842 3.919 20 0 EHADRM CCc1ccc(C(=O)Nc2cccc(NC(=O)N(C)C)c2C)c(O)c1 ZINC000279629138 1044345337 /nfs/dbraw/zinc/34/53/37/1044345337.db2.gz CZPAXYOBQJAYGE-UHFFFAOYSA-N -1 0 341.411 3.609 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N[C@@H]2CSc3ccccc32)s1 ZINC000344746737 1044378280 /nfs/dbraw/zinc/37/82/80/1044378280.db2.gz LHHWGPKLNXIXQG-GFCCVEGCSA-N -1 0 348.497 3.832 20 0 EHADRM Cc1cc([N-]c2nc(C3CCOCC3)ns2)nn1[C@@H](C)C1CC1 ZINC000663790422 1044574797 /nfs/dbraw/zinc/57/47/97/1044574797.db2.gz AYHPJEXEEUSNDU-NSHDSACASA-N -1 0 333.461 3.652 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(OC)c2)s1 ZINC000432646930 1044584668 /nfs/dbraw/zinc/58/46/68/1044584668.db2.gz ZHVIHLOAVZRROP-UHFFFAOYSA-N -1 0 331.846 3.773 20 0 EHADRM COc1cc(C)cc([N-]S(=O)(=O)c2ccc(C(F)F)o2)c1C ZINC000634792339 1125592284 /nfs/dbraw/zinc/59/22/84/1125592284.db2.gz NJSSPPSPDAOLDB-UHFFFAOYSA-N -1 0 331.340 3.643 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)c(F)c1 ZINC000404918992 1125632460 /nfs/dbraw/zinc/63/24/60/1125632460.db2.gz GTOJMNCWJADVDR-UHFFFAOYSA-N -1 0 348.443 3.925 20 0 EHADRM O=C(Cc1cncc(O)c1)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000622481000 1126706058 /nfs/dbraw/zinc/70/60/58/1126706058.db2.gz BDMAYLLSQQUZDA-UHFFFAOYSA-N -1 0 347.585 3.634 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)C[C@@]2(C(=O)[O-])CCSC2)c2ccccc21 ZINC000622602475 1126728162 /nfs/dbraw/zinc/72/81/62/1126728162.db2.gz MWDSBCDKGMDTTC-BEFAXECRSA-N -1 0 347.480 3.513 20 0 EHADRM CC(C)CCc1ccc(NC(=O)C[C@]2(C(=O)[O-])CCSC2)cc1 ZINC000622602487 1126728191 /nfs/dbraw/zinc/72/81/91/1126728191.db2.gz OFEUTBRPAGYQNK-GOSISDBHSA-N -1 0 335.469 3.812 20 0 EHADRM Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1cccc(Cl)c1[O-] ZINC000172112281 1126780881 /nfs/dbraw/zinc/78/08/81/1126780881.db2.gz CWTJCAULQOUCIN-UHFFFAOYSA-N -1 0 335.835 3.696 20 0 EHADRM Cc1ccc(C([O-])=CS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000336868945 1126812995 /nfs/dbraw/zinc/81/29/95/1126812995.db2.gz WQPAPTZMJKIJSJ-UHFFFAOYSA-N -1 0 342.338 3.670 20 0 EHADRM O=C(CC(F)(F)F)Nc1cc(Cl)cc(Br)c1[O-] ZINC000174915798 1126863103 /nfs/dbraw/zinc/86/31/03/1126863103.db2.gz ZIALREYKJXAAIS-UHFFFAOYSA-N -1 0 332.503 3.699 20 0 EHADRM C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC000623207635 1126896045 /nfs/dbraw/zinc/89/60/45/1126896045.db2.gz YQIBVHLZWAKMQR-XCBNKYQSSA-N -1 0 340.210 3.727 20 0 EHADRM CCC(C)(C)CC(=O)N1CCC[C@@H](c2n[nH]c(=S)n2C2CC2)C1 ZINC000073093122 1127006198 /nfs/dbraw/zinc/00/61/98/1127006198.db2.gz WPMCCBYRDFIXMR-GFCCVEGCSA-N -1 0 336.505 3.808 20 0 EHADRM Cc1cnc([C@@H](N=c2[n-]c(-c3ccc(F)cc3)no2)C2CC2)s1 ZINC000623997225 1127229773 /nfs/dbraw/zinc/22/97/73/1127229773.db2.gz FUNAFJSBHDDXNK-ZDUSSCGKSA-N -1 0 330.388 3.626 20 0 EHADRM O=C([O-])[C@@H]1CCCN1C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000404241090 1127261133 /nfs/dbraw/zinc/26/11/33/1127261133.db2.gz FPXFHYCUTMNLGT-VIFPVBQESA-N -1 0 337.590 3.728 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2)c(C)o1 ZINC000182779042 1127347208 /nfs/dbraw/zinc/34/72/08/1127347208.db2.gz JGLJPTAQPIUUOD-UHFFFAOYSA-N -1 0 349.330 3.638 20 0 EHADRM C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000184213582 1127398480 /nfs/dbraw/zinc/39/84/80/1127398480.db2.gz FFDITWNRJAFDNT-CABZTGNLSA-N -1 0 341.370 3.783 20 0 EHADRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)n1 ZINC000185716567 1127430863 /nfs/dbraw/zinc/43/08/63/1127430863.db2.gz DAVPVUAESMYKKM-UHFFFAOYSA-N -1 0 339.420 3.561 20 0 EHADRM CC(C)CCc1nnc([N-]S(=O)(=O)c2cccc3ccccc32)o1 ZINC000194876181 1127469071 /nfs/dbraw/zinc/46/90/71/1127469071.db2.gz SUPCLBALSSZVKB-UHFFFAOYSA-N -1 0 345.424 3.612 20 0 EHADRM CC(C)(C)SCCNC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1 ZINC000764411862 1127490130 /nfs/dbraw/zinc/49/01/30/1127490130.db2.gz AOIQCUKEARJEDG-KRWDZBQOSA-N -1 0 329.506 3.696 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)Nc1ccc2c(c1)CCCO2 ZINC000383815565 1127559054 /nfs/dbraw/zinc/55/90/54/1127559054.db2.gz KYHPXPDSNNBTQU-MRXNPFEDSA-N -1 0 346.427 3.557 20 0 EHADRM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3Cl)cc2o1 ZINC000075581086 1127641601 /nfs/dbraw/zinc/64/16/01/1127641601.db2.gz PPIRNHKIBKCTEP-UHFFFAOYSA-N -1 0 336.800 3.899 20 0 EHADRM CCCCc1nnc([N-]C(=O)c2cc(-c3cccs3)on2)s1 ZINC000022742973 1127691912 /nfs/dbraw/zinc/69/19/12/1127691912.db2.gz ZDXJHYZKDXWWAW-UHFFFAOYSA-N -1 0 334.426 3.850 20 0 EHADRM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000024578846 1127707844 /nfs/dbraw/zinc/70/78/44/1127707844.db2.gz DRQUGGWNRIPWIL-UHFFFAOYSA-N -1 0 346.383 3.573 20 0 EHADRM O=S(=O)([N-]c1cccnc1Oc1ccccc1)c1ccsc1 ZINC000671658378 1127764155 /nfs/dbraw/zinc/76/41/55/1127764155.db2.gz AVAYOGGQRKGEIS-UHFFFAOYSA-N -1 0 332.406 3.736 20 0 EHADRM c1sc2ccccc2c1CCN=c1[n-]nc(C2CCOCC2)s1 ZINC000338650274 1127979392 /nfs/dbraw/zinc/97/93/92/1127979392.db2.gz QKRJVAVUBUXKBE-UHFFFAOYSA-N -1 0 345.493 3.723 20 0 EHADRM Cc1[nH]c2ccccc2c1C([O-])=CS(=O)(=O)c1ccccc1Cl ZINC000355983179 1128201205 /nfs/dbraw/zinc/20/12/05/1128201205.db2.gz GUAYPQXMNPXLIC-UHFFFAOYSA-N -1 0 347.823 3.786 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2nc3cc(F)c(F)cc3s2)c1 ZINC000066254348 1128212294 /nfs/dbraw/zinc/21/22/94/1128212294.db2.gz LRPDSHWWEYJSJE-UHFFFAOYSA-N -1 0 340.376 3.684 20 0 EHADRM CCc1cccc(NC(=O)c2ccc(Br)c([O-])c2)c1O ZINC001649093520 1128215020 /nfs/dbraw/zinc/21/50/20/1128215020.db2.gz ZMVCOOMVPJAUNS-UHFFFAOYSA-N -1 0 336.185 3.675 20 0 EHADRM CCC[C@@H](O)CCNC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC001649092982 1128215867 /nfs/dbraw/zinc/21/58/67/1128215867.db2.gz OYYDHIANWAFYRR-OAHLLOKOSA-N -1 0 347.842 3.994 20 0 EHADRM COc1cc2c(cc1[N-]S(=O)(=O)CC(C)C)oc1ccccc12 ZINC000110586769 1128301503 /nfs/dbraw/zinc/30/15/03/1128301503.db2.gz SZZOANJUTSBGEP-UHFFFAOYSA-N -1 0 333.409 3.992 20 0 EHADRM O=C([N-]S(=O)(=O)CC1CC1)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000073537029 1128393017 /nfs/dbraw/zinc/39/30/17/1128393017.db2.gz LOSGNJZWDMBMCI-GHMZBOCLSA-N -1 0 348.251 3.793 20 0 EHADRM OCC[C@@H](N=c1[n-]c(C2CCC2)no1)c1cc(Cl)cc(Cl)c1 ZINC000624722401 1128498137 /nfs/dbraw/zinc/49/81/37/1128498137.db2.gz WRVWQMGRTALHBZ-CYBMUJFWSA-N -1 0 342.226 3.601 20 0 EHADRM Cc1cccc([C@H](C)CNC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000655869928 1128514813 /nfs/dbraw/zinc/51/48/13/1128514813.db2.gz SOGUMVQKZYRAQK-YQFWSFKMSA-N -1 0 346.471 3.533 20 0 EHADRM O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1cccc(Cl)c1[O-] ZINC000765844133 1128544130 /nfs/dbraw/zinc/54/41/30/1128544130.db2.gz WHEXZXHUMYRNNW-CJNGLKHVSA-N -1 0 331.799 3.696 20 0 EHADRM CN(C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1)C1CCCC1 ZINC000542729085 1128565113 /nfs/dbraw/zinc/56/51/13/1128565113.db2.gz MGXBLHNXVJMQKE-UHFFFAOYSA-N -1 0 336.848 3.687 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)C1(C)C ZINC000057752484 1128663873 /nfs/dbraw/zinc/66/38/73/1128663873.db2.gz YPIPVZCVEOFJJY-KGLIPLIRSA-N -1 0 327.384 3.619 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCC[C@@H](C)CC3)n2)c1 ZINC000303959282 1128710725 /nfs/dbraw/zinc/71/07/25/1128710725.db2.gz YSMDRKBIECHEHZ-OAHLLOKOSA-N -1 0 341.455 3.964 20 0 EHADRM O=C([O-])c1cccc(NC(=O)CCc2cccc(Br)c2)c1 ZINC000013094736 1128795901 /nfs/dbraw/zinc/79/59/01/1128795901.db2.gz HCQWZKNTKAIZEB-UHFFFAOYSA-N -1 0 348.196 3.719 20 0 EHADRM O=C(CCCn1ccnc1)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000156585387 1128903754 /nfs/dbraw/zinc/90/37/54/1128903754.db2.gz IQMRQSRHEVSTJI-UHFFFAOYSA-N -1 0 348.617 3.968 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)C[C@H]1CSCCS1 ZINC000761604642 1120455627 /nfs/dbraw/zinc/45/56/27/1120455627.db2.gz VVCBXKVUTMXCHF-ZDUSSCGKSA-N -1 0 347.461 3.715 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cnc(Cl)cc2C)c1 ZINC000153020992 1120531001 /nfs/dbraw/zinc/53/10/01/1120531001.db2.gz DWEZUKJEMGVGFF-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CS[C@@H]1CCC[C@H](NC(=O)c2ccc(Br)cc2O)C1 ZINC000227384170 1120878559 /nfs/dbraw/zinc/87/85/59/1120878559.db2.gz UBZMYGUVZKKIBT-WDEREUQCSA-N -1 0 344.274 3.559 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc2cc(Cl)ccc2o1 ZINC000262340076 1120924318 /nfs/dbraw/zinc/92/43/18/1120924318.db2.gz YGSDHBSMXAICOL-GDLCADMTSA-N -1 0 347.798 3.944 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)n[nH]1 ZINC000008697288 1128951821 /nfs/dbraw/zinc/95/18/21/1128951821.db2.gz KDMQSVQDKKJNMJ-UHFFFAOYSA-N -1 0 329.425 3.661 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)COc2ccc(F)c(Cl)c2)cc1 ZINC000914729835 1120966079 /nfs/dbraw/zinc/96/60/79/1120966079.db2.gz APZWMDOYYPXTJD-FPYGCLRLSA-N -1 0 349.745 3.594 20 0 EHADRM CC(C)n1ncc2cc(NC(=O)c3cc(Cl)ccc3[O-])cnc21 ZINC000648751093 1120982255 /nfs/dbraw/zinc/98/22/55/1120982255.db2.gz SNHPIYLDLGHTEE-UHFFFAOYSA-N -1 0 330.775 3.624 20 0 EHADRM Cc1cccn2cc(Cc3noc(-c4cccc(Cl)c4[O-])n3)nc12 ZINC000761890195 1121003465 /nfs/dbraw/zinc/00/34/65/1121003465.db2.gz GGCFXDKHPUEZBC-UHFFFAOYSA-N -1 0 340.770 3.643 20 0 EHADRM CCCCCC[C@](C)(NC(=O)c1cnc(C(C)C)s1)C(=O)[O-] ZINC000761951197 1121015776 /nfs/dbraw/zinc/01/57/76/1121015776.db2.gz KZEBFOSBHUBTPU-INIZCTEOSA-N -1 0 326.462 3.810 20 0 EHADRM C[C@H]1CCN(C(=O)c2s[n-]c(=O)c2Cl)C[C@H]1c1ccccc1 ZINC000915015408 1121102945 /nfs/dbraw/zinc/10/29/45/1121102945.db2.gz RDYFUNLMYQWUBB-CMPLNLGQSA-N -1 0 336.844 3.768 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)c2cccc(Cl)c2Cl)C1 ZINC000232731936 1121144735 /nfs/dbraw/zinc/14/47/35/1121144735.db2.gz HYXXJVNTMDJKLI-HNNXBMFYSA-N -1 0 330.211 3.566 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(Cl)ccc2N(C)C)c1 ZINC000303414098 1121144831 /nfs/dbraw/zinc/14/48/31/1121144831.db2.gz VRKQPDMUSJMLNT-UHFFFAOYSA-N -1 0 342.823 3.654 20 0 EHADRM CC(C)(C(=O)[N-]OCc1ncccc1C(F)(F)F)c1ccccc1 ZINC000762206173 1121176509 /nfs/dbraw/zinc/17/65/09/1121176509.db2.gz HAGGLTHMUHIOEB-UHFFFAOYSA-N -1 0 338.329 3.626 20 0 EHADRM CC(C)(C)OC1CC(CCNC(=O)c2cccc(Cl)c2[O-])C1 ZINC000762396836 1121280049 /nfs/dbraw/zinc/28/00/49/1121280049.db2.gz KRIYPNULDLFADN-UHFFFAOYSA-N -1 0 325.836 3.759 20 0 EHADRM CC(C)[C@H](C)CC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000236633572 1121458871 /nfs/dbraw/zinc/45/88/71/1121458871.db2.gz DKAOEACUTITILI-CYBMUJFWSA-N -1 0 329.396 3.924 20 0 EHADRM CC(C)c1ccc(OCC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000236668531 1121459720 /nfs/dbraw/zinc/45/97/20/1121459720.db2.gz KUNFSMXUHVZXHA-UHFFFAOYSA-N -1 0 341.407 3.546 20 0 EHADRM CCC[C@](C)(NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000236841956 1121466040 /nfs/dbraw/zinc/46/60/40/1121466040.db2.gz FTBLBEBLSCOPJQ-IBGZPJMESA-N -1 0 327.380 3.852 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000237038080 1121471656 /nfs/dbraw/zinc/47/16/56/1121471656.db2.gz YIKXNRTXDMPIDI-NWDGAFQWSA-N -1 0 345.361 3.911 20 0 EHADRM CCc1cc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])sc1C ZINC000237122736 1121474257 /nfs/dbraw/zinc/47/42/57/1121474257.db2.gz KDWDLHLTKTYLEP-ZBEGNZNMSA-N -1 0 331.437 3.811 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)/C=C/SCc2ccco2)cc1 ZINC000238150826 1121504828 /nfs/dbraw/zinc/50/48/28/1121504828.db2.gz CPOHWBLGTOMPOQ-OSODFHRSSA-N -1 0 329.377 3.763 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCc1ccc(Cl)s1 ZINC000262492655 1121571766 /nfs/dbraw/zinc/57/17/66/1121571766.db2.gz ZRYLMYCCDMOLER-RTXFEEFZSA-N -1 0 341.860 3.578 20 0 EHADRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc2[nH]ccc21 ZINC000074849401 1121712844 /nfs/dbraw/zinc/71/28/44/1121712844.db2.gz OSMGTQZXHCRXPP-UHFFFAOYSA-N -1 0 336.800 3.631 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCCC[C@H]2c2ccncc2)s1 ZINC000915870748 1121715762 /nfs/dbraw/zinc/71/57/62/1121715762.db2.gz PSWXIQKCIBWNJN-ZDUSSCGKSA-N -1 0 330.409 3.599 20 0 EHADRM CCOC(=O)c1cccc(NC(=O)CC2(CC(=O)[O-])CCCCC2)c1 ZINC000326626004 1121971274 /nfs/dbraw/zinc/97/12/74/1121971274.db2.gz QKCARSKGPVARBL-UHFFFAOYSA-N -1 0 347.411 3.617 20 0 EHADRM Cc1ccc(-c2noc(/C(C#N)=C/c3ccc([O-])c([N+](=O)[O-])c3)n2)cc1 ZINC000032791347 1122109740 /nfs/dbraw/zinc/10/97/40/1122109740.db2.gz KSFRPFOQGLOKOE-RIYZIHGNSA-N -1 0 348.318 3.723 20 0 EHADRM CCn1c(CNC(=O)c2ccc(C(C)C)cc2O)nc2ccccc21 ZINC000916746100 1122343022 /nfs/dbraw/zinc/34/30/22/1122343022.db2.gz VFELOFIYBWVEFE-UHFFFAOYSA-N -1 0 337.423 3.815 20 0 EHADRM CC(C)c1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)cc1 ZINC000916798301 1122354858 /nfs/dbraw/zinc/35/48/58/1122354858.db2.gz PWGPXIRLUKJIRR-UHFFFAOYSA-N -1 0 337.828 3.582 20 0 EHADRM CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1OC ZINC000125918031 1122358505 /nfs/dbraw/zinc/35/85/05/1122358505.db2.gz FVQXFNKGDMPRNL-UHFFFAOYSA-N -1 0 341.816 3.548 20 0 EHADRM COc1ccc(OC)c(CN(C(=O)c2ccc(C)cc2O)C2CC2)c1 ZINC000127542094 1122491701 /nfs/dbraw/zinc/49/17/01/1122491701.db2.gz DJPRTIAMQBQNRD-UHFFFAOYSA-N -1 0 341.407 3.523 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N[C@@H](C)CC2CC2)s1)c1ccccc1 ZINC000497621366 1122608031 /nfs/dbraw/zinc/60/80/31/1122608031.db2.gz KPWSDFDQUKAUKG-SWLSCSKDSA-N -1 0 344.484 3.812 20 0 EHADRM Cc1ccc(-c2[n-][nH]c(=NC(=O)[C@H](C)Cc3ccc(C)cc3)c2C)o1 ZINC000497747465 1122655409 /nfs/dbraw/zinc/65/54/09/1122655409.db2.gz HOLDRTXIQZKCFO-CYBMUJFWSA-N -1 0 337.423 3.834 20 0 EHADRM O=S(=O)([N-]c1ccc(OCC2CC2)cc1)c1c(F)cccc1F ZINC000497960360 1122713066 /nfs/dbraw/zinc/71/30/66/1122713066.db2.gz PECHJUBXUZWPJY-UHFFFAOYSA-N -1 0 339.363 3.554 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)NC2CCC(c3ccccc3)CC2)CC1 ZINC000262738705 1122800719 /nfs/dbraw/zinc/80/07/19/1122800719.db2.gz VXAUMGBXSOSVHG-GFHJVICUSA-N -1 0 329.440 3.720 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)CCCOc2ccccc2F)cc1 ZINC000918595592 1122861959 /nfs/dbraw/zinc/86/19/59/1122861959.db2.gz VHJOPXPGGQLICP-XFXZXTDPSA-N -1 0 343.354 3.721 20 0 EHADRM CC1(C)CC[C@H](CSc2n[n-]c(=NCc3ccccc3)s2)O1 ZINC000556287107 1122918098 /nfs/dbraw/zinc/91/80/98/1122918098.db2.gz GMJUWMCOHKLKBD-CYBMUJFWSA-N -1 0 335.498 3.622 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)C(=O)[O-] ZINC000262805270 1122960358 /nfs/dbraw/zinc/96/03/58/1122960358.db2.gz FLLAYEGOIGRSRU-SFDCQRBFSA-N -1 0 335.469 3.806 20 0 EHADRM C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262901334 1123078823 /nfs/dbraw/zinc/07/88/23/1123078823.db2.gz IESBWIQQJKPBLR-JHJVBQTASA-N -1 0 346.452 3.707 20 0 EHADRM Cc1ccc(C2=CCN(Cc3c([O-])nnn3-c3ccccc3)CC2)cc1 ZINC000919938388 1123238977 /nfs/dbraw/zinc/23/89/77/1123238977.db2.gz MMYUNBMFDHMSOV-UHFFFAOYSA-N -1 0 346.434 3.571 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)CCc2ccc3ccccc3c2)cc1 ZINC000499166216 1123254770 /nfs/dbraw/zinc/25/47/70/1123254770.db2.gz DJCPWJVFJWHUCU-UHFFFAOYSA-N -1 0 349.386 3.875 20 0 EHADRM COc1ccccc1C1([N-]C(=O)C(F)(F)F)CCC(F)(F)CC1 ZINC001142770718 1123346239 /nfs/dbraw/zinc/34/62/39/1123346239.db2.gz JOBDWDNDIMSTLP-UHFFFAOYSA-N -1 0 337.288 3.778 20 0 EHADRM COc1ccccc1S(=O)(=O)[N-]c1ccccc1C(F)(F)F ZINC000074933284 1123348239 /nfs/dbraw/zinc/34/82/39/1123348239.db2.gz KJOYILJRLCFQPH-UHFFFAOYSA-N -1 0 331.315 3.515 20 0 EHADRM CC(=O)Nc1c(C)ccc(NC(=O)c2c([O-])cccc2Cl)c1C ZINC000920458969 1123371452 /nfs/dbraw/zinc/37/14/52/1123371452.db2.gz XTXYMKFMIGMEAV-UHFFFAOYSA-N -1 0 332.787 3.873 20 0 EHADRM Cc1cc(S(=O)(=O)[O-])c(Nc2cc(F)cc(F)c2O)cc1Cl ZINC001212487745 1129120449 /nfs/dbraw/zinc/12/04/49/1129120449.db2.gz XZPAVIMLIQUGIU-UHFFFAOYSA-N -1 0 349.742 3.623 20 0 EHADRM CC(C)(C)[C@H]1CCc2sc(C(=O)N3CC[C@](C)(C(=O)[O-])C3)cc2C1 ZINC000236729932 1123458722 /nfs/dbraw/zinc/45/87/22/1123458722.db2.gz KRSIVEBKKCZGJA-DJJJIMSYSA-N -1 0 349.496 3.836 20 0 EHADRM CCCN(C(=O)c1cccc(C(=O)[O-])c1)[C@H]1CCc2ccccc2C1 ZINC000236757424 1123461739 /nfs/dbraw/zinc/46/17/39/1123461739.db2.gz NAZLYHRVFHFVHR-IBGZPJMESA-N -1 0 337.419 3.795 20 0 EHADRM COc1cc(C2(C(=O)Nc3cc(C(=O)[O-])ccc3F)CC2)ccc1C ZINC000237290802 1123509708 /nfs/dbraw/zinc/50/97/08/1123509708.db2.gz IOJPDNYKJGEEBT-UHFFFAOYSA-N -1 0 343.354 3.511 20 0 EHADRM Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1c([O-])cc(F)cc1F ZINC000066046539 1129126516 /nfs/dbraw/zinc/12/65/16/1129126516.db2.gz LNPNSHIOWOSXMD-UHFFFAOYSA-N -1 0 346.333 3.580 20 0 EHADRM O=S(=O)(NC[C@H]1Cc2ccccc21)c1cccc(Cl)c1Cl ZINC000195537911 1123543332 /nfs/dbraw/zinc/54/33/32/1123543332.db2.gz YGWVIZQDBBQJLS-LLVKDONJSA-N -1 0 342.247 3.612 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1cccc(OC2CCCCC2)c1 ZINC000238164789 1123567876 /nfs/dbraw/zinc/56/78/76/1123567876.db2.gz SYTHTNMGLDIWOZ-UHFFFAOYSA-N -1 0 333.428 3.773 20 0 EHADRM Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1O ZINC000135091770 1123581087 /nfs/dbraw/zinc/58/10/87/1123581087.db2.gz DWZPKKNCGXAYLL-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM O=C(Nc1ccc(F)cc1F)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000136344579 1123688705 /nfs/dbraw/zinc/68/87/05/1123688705.db2.gz IIAKRXYQQXHLRW-UHFFFAOYSA-N -1 0 342.301 3.807 20 0 EHADRM O=S(=O)(Cc1ccc2ccccc2c1)[N-][C@@H](C1CC1)C(F)(F)F ZINC000564354479 1123743143 /nfs/dbraw/zinc/74/31/43/1123743143.db2.gz CYEMLEMUKZEYGQ-HNNXBMFYSA-N -1 0 343.370 3.600 20 0 EHADRM O=S(=O)(Cc1ccc(F)cc1)[N-][C@@H](c1ccccc1)C(F)(F)F ZINC000615251386 1123767458 /nfs/dbraw/zinc/76/74/58/1123767458.db2.gz CUMYUZVFOXQQAI-AWEZNQCLSA-N -1 0 347.333 3.549 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)C1(C)C ZINC000615280617 1123771114 /nfs/dbraw/zinc/77/11/14/1123771114.db2.gz GUUOTTDKXFGQFY-KGLIPLIRSA-N -1 0 325.412 3.959 20 0 EHADRM CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000615280121 1123771233 /nfs/dbraw/zinc/77/12/33/1123771233.db2.gz BBQFUEXZHFKFCZ-ZFWWWQNUSA-N -1 0 343.427 3.706 20 0 EHADRM C[C@H](CC(=O)NCCCCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000237618229 1123792360 /nfs/dbraw/zinc/79/23/60/1123792360.db2.gz YLTAZRAFGZKEKY-GFCCVEGCSA-N -1 0 345.361 3.960 20 0 EHADRM Cc1ccc(-c2cc(C(=O)N3CCCC[C@H]3CCC(=O)[O-])on2)cc1 ZINC000237701858 1123815009 /nfs/dbraw/zinc/81/50/09/1123815009.db2.gz HIYBVUAHZMVMLF-HNNXBMFYSA-N -1 0 342.395 3.510 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)cc1 ZINC000237947073 1123925628 /nfs/dbraw/zinc/92/56/28/1123925628.db2.gz FXKMAEXYTCWQRN-VAIDBEGPSA-N -1 0 343.329 3.805 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)c1csc(-c2ccccc2)n1 ZINC000238111589 1123988309 /nfs/dbraw/zinc/98/83/09/1123988309.db2.gz CPFNPXXKLSBCTA-UHFFFAOYSA-N -1 0 346.452 3.965 20 0 EHADRM CCOc1ccccc1/C=C/C(=O)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000068726498 1124011074 /nfs/dbraw/zinc/01/10/74/1124011074.db2.gz DNWNYURDSWQBAU-GCZGRYASSA-N -1 0 340.375 3.833 20 0 EHADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)Cc1ccc(Cl)s1 ZINC000263545036 1124060246 /nfs/dbraw/zinc/06/02/46/1124060246.db2.gz SVWCNFHSWVPKBK-CYBMUJFWSA-N -1 0 337.828 3.585 20 0 EHADRM CC(C)(CC(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1)C(F)(F)F ZINC000263553255 1124086109 /nfs/dbraw/zinc/08/61/09/1124086109.db2.gz XNTJOYOKXBZYMT-CYBMUJFWSA-N -1 0 345.361 3.557 20 0 EHADRM C[C@H](NC(=O)C1CCC(C(=O)[O-])CC1)C1(c2ccccc2)CCCC1 ZINC000263571503 1124539041 /nfs/dbraw/zinc/53/90/41/1124539041.db2.gz JLVBNKSTIFKIOU-GTPINHCMSA-N -1 0 343.467 3.894 20 0 EHADRM O=C(Nc1cc(Br)cc(Cl)c1[O-])C1(CF)CCC1 ZINC000519545028 1124565654 /nfs/dbraw/zinc/56/56/54/1124565654.db2.gz ZKOSSZAFOCCUME-UHFFFAOYSA-N -1 0 336.588 3.886 20 0 EHADRM O=S(=O)([N-]c1ccc(OC(F)F)cc1)c1cc2ccccc2o1 ZINC000084920038 1124604528 /nfs/dbraw/zinc/60/45/28/1124604528.db2.gz OEHFUINALQWTIT-UHFFFAOYSA-N -1 0 339.319 3.835 20 0 EHADRM Cc1c2cccc(Cl)c2oc1C(=O)N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000521625832 1124699184 /nfs/dbraw/zinc/69/91/84/1124699184.db2.gz OYRUVIDZKCIMKF-JOYOIKCWSA-N -1 0 335.787 3.577 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000734965947 1131296526 /nfs/dbraw/zinc/29/65/26/1131296526.db2.gz RCXSQXQSIIVKTN-OAHLLOKOSA-N -1 0 337.485 3.515 20 0 EHADRM CCCOc1ccc(O[C@@H]2CCCC[C@H]2[N-]C(=O)C(F)(F)F)cc1 ZINC000735062761 1131305183 /nfs/dbraw/zinc/30/51/83/1131305183.db2.gz NLLCWCFSVDYSHZ-HUUCEWRRSA-N -1 0 345.361 3.844 20 0 EHADRM Cc1c(NC(=O)[C@H](C)Oc2ccc3c(c2)CCC3)cccc1C(=O)[O-] ZINC000618074554 1124960152 /nfs/dbraw/zinc/96/01/52/1124960152.db2.gz ZPGKWUHOHZHVHE-ZDUSSCGKSA-N -1 0 339.391 3.588 20 0 EHADRM CC(C)c1cc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)cc(=O)[nH]1 ZINC000181609622 1124983883 /nfs/dbraw/zinc/98/38/83/1124983883.db2.gz FUVAQFLNPKQKGH-UHFFFAOYSA-N -1 0 329.381 3.593 20 0 EHADRM Cc1cc(C(=O)N=c2nc(CC(C)C)[n-]s2)c(Cl)cc1F ZINC000618348456 1125057734 /nfs/dbraw/zinc/05/77/34/1125057734.db2.gz PIVKCCDEAKHAMU-UHFFFAOYSA-N -1 0 327.812 3.512 20 0 EHADRM C[C@@H]1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)[C@H](C(=O)[O-])C1 ZINC000322375955 1125412800 /nfs/dbraw/zinc/41/28/00/1125412800.db2.gz BTEBTIXUZHPCEK-RISCZKNCSA-N -1 0 334.803 3.680 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cccc(Br)c2)c(F)c1 ZINC000478827193 1129275122 /nfs/dbraw/zinc/27/51/22/1129275122.db2.gz KWRUNUAUSUEALH-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM CC(C)(NC(=O)c1ccc(C(=O)[O-])cc1F)c1cccc(Cl)c1 ZINC000478837196 1129279645 /nfs/dbraw/zinc/27/96/45/1129279645.db2.gz KABBTYXYQKKMJI-UHFFFAOYSA-N -1 0 335.762 3.842 20 0 EHADRM Cc1ccccc1CS(=O)(=O)[N-][C@H](C1CCCCC1)C(F)(F)F ZINC000543167797 1129308592 /nfs/dbraw/zinc/30/85/92/1129308592.db2.gz ULDJRLULMIJCHJ-OAHLLOKOSA-N -1 0 349.418 3.926 20 0 EHADRM C[C@H]1CCC[C@H](OCCCCCC(=O)N=c2ccc(C3CC3)n[n-]2)C1 ZINC000499732908 1129431244 /nfs/dbraw/zinc/43/12/44/1129431244.db2.gz QVTFTRMFCUFHPJ-RDJZCZTQSA-N -1 0 345.487 3.870 20 0 EHADRM Cc1c(Cl)cccc1NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000499753689 1129457825 /nfs/dbraw/zinc/45/78/25/1129457825.db2.gz WRWLZMZDSFYQRJ-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM Cc1cccc(CSCC(=O)N[C@H](CC(=O)[O-])c2cccs2)c1 ZINC000013388076 1129519759 /nfs/dbraw/zinc/51/97/59/1129519759.db2.gz GZJSSSZNMHFKNV-CQSZACIVSA-N -1 0 349.477 3.622 20 0 EHADRM O=S(=O)([N-]C1(C(F)F)CCCC1)c1cccc(Cl)c1Cl ZINC000673586603 1129590614 /nfs/dbraw/zinc/59/06/14/1129590614.db2.gz QIPFFZLKYODMJW-UHFFFAOYSA-N -1 0 344.210 3.850 20 0 EHADRM O=C(OCc1ccc(OC(F)F)cc1)c1c(F)cc([O-])cc1F ZINC000735950945 1131393580 /nfs/dbraw/zinc/39/35/80/1131393580.db2.gz RGBSUUYOSIILSM-UHFFFAOYSA-N -1 0 330.233 3.629 20 0 EHADRM Cc1ccc(C(=O)[C@@H](C)OC(=O)c2c(F)cc([O-])cc2F)cc1C ZINC000735950916 1131393663 /nfs/dbraw/zinc/39/36/63/1131393663.db2.gz QIAGRPNLBCSTME-LLVKDONJSA-N -1 0 334.318 3.715 20 0 EHADRM O=C(N=c1[n-]nc(CC2CCCCC2)s1)c1ccc(C(F)F)o1 ZINC000625259625 1129786474 /nfs/dbraw/zinc/78/64/74/1129786474.db2.gz IHULSLCEPKCERO-UHFFFAOYSA-N -1 0 341.383 3.866 20 0 EHADRM CCC(CC)c1n[n-]c(=NCc2ccn(-c3ccccc3)n2)s1 ZINC000347822136 1129879766 /nfs/dbraw/zinc/87/97/66/1129879766.db2.gz ZBNVBHAKUOEHBQ-UHFFFAOYSA-N -1 0 327.457 3.661 20 0 EHADRM COc1cccc(OC)c1S(=O)(=O)[N-]c1ccc2ccccc2c1 ZINC000186903189 1129901960 /nfs/dbraw/zinc/90/19/60/1129901960.db2.gz LEAUQOQWVDNBRS-UHFFFAOYSA-N -1 0 343.404 3.658 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)cc1F ZINC000666107717 1129914902 /nfs/dbraw/zinc/91/49/02/1129914902.db2.gz ZEHCNMIEZNABSR-CZUORRHYSA-N -1 0 329.371 3.570 20 0 EHADRM CC(C)c1cc2ncc(Nc3ccc(C(=O)[O-])c(F)c3F)cn2n1 ZINC001212512379 1129921823 /nfs/dbraw/zinc/92/18/23/1129921823.db2.gz JRLCIJXNEBFENQ-UHFFFAOYSA-N -1 0 332.310 3.573 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(Oc3ncccn3)cc2)c(F)c1F ZINC001212513520 1129925474 /nfs/dbraw/zinc/92/54/74/1129925474.db2.gz VCNHUMILZOSVQW-UHFFFAOYSA-N -1 0 343.289 3.989 20 0 EHADRM CCN(CC)C(=O)c1ccccc1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212515839 1129927851 /nfs/dbraw/zinc/92/78/51/1129927851.db2.gz QWZFLIHMTMJJHO-UHFFFAOYSA-N -1 0 348.349 3.889 20 0 EHADRM COc1ccc(C)cc1[N-]S(=O)(=O)c1c(C)ccc2ncccc21 ZINC000673982090 1129933048 /nfs/dbraw/zinc/93/30/48/1129933048.db2.gz KMKNCNHYXHDQAC-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)nc1 ZINC000509210631 1129980464 /nfs/dbraw/zinc/98/04/64/1129980464.db2.gz KQRZIDVWXODKOF-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM Cc1ccc(-c2ncc(CN=c3[n-]nc(CC(C)(C)C)o3)s2)o1 ZINC000347887864 1129981961 /nfs/dbraw/zinc/98/19/61/1129981961.db2.gz UXMHWOVEPBFHKI-UHFFFAOYSA-N -1 0 332.429 3.717 20 0 EHADRM O=C(N=c1ccc(-c2ccccc2)n[n-]1)c1cccc2ccccc21 ZINC000466622884 1129982513 /nfs/dbraw/zinc/98/25/13/1129982513.db2.gz JOXXTNMZRSVNEG-UHFFFAOYSA-N -1 0 325.371 3.971 20 0 EHADRM O=C(NCc1cc(F)c(Cl)cc1F)c1cccc(Cl)c1[O-] ZINC001128677742 1130032953 /nfs/dbraw/zinc/03/29/53/1130032953.db2.gz CMAXTZPGEDTYCO-UHFFFAOYSA-N -1 0 332.133 3.907 20 0 EHADRM CCC1(CNC(=O)N=c2[n-]nc(SCc3ccccc3)s2)CC1 ZINC000429223697 1130046191 /nfs/dbraw/zinc/04/61/91/1130046191.db2.gz XCHHXYMNRIPHPW-UHFFFAOYSA-N -1 0 348.497 3.564 20 0 EHADRM CCn1cnc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2F)c1 ZINC000674646921 1130161704 /nfs/dbraw/zinc/16/17/04/1130161704.db2.gz RGFPTCFGHZTHSN-UHFFFAOYSA-N -1 0 345.399 3.510 20 0 EHADRM CSc1ccncc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000674714914 1130178902 /nfs/dbraw/zinc/17/89/02/1130178902.db2.gz GGTDCAPKBWIWEC-UHFFFAOYSA-N -1 0 330.434 3.758 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)C[C@]1(C(=O)[O-])CCSC1 ZINC000069771817 1130263920 /nfs/dbraw/zinc/26/39/20/1130263920.db2.gz NXCDCEYAHFFCRW-KZULUSFZSA-N -1 0 347.436 3.516 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000676025714 1130517903 /nfs/dbraw/zinc/51/79/03/1130517903.db2.gz AYMZWBYUXXDBFU-NXEZZACHSA-N -1 0 329.730 3.883 20 0 EHADRM CC(C)C[C@@H](NC(=O)[C@@H](C)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000676217513 1130547046 /nfs/dbraw/zinc/54/70/46/1130547046.db2.gz NJMVQRCULDVTMZ-JOYOIKCWSA-N -1 0 332.227 3.712 20 0 EHADRM CCCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000727950209 1130612317 /nfs/dbraw/zinc/61/23/17/1130612317.db2.gz MSKQNPJTMSUWRQ-HNNXBMFYSA-N -1 0 325.474 3.797 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccccc2SC(C)C)cc1 ZINC000729884738 1130652411 /nfs/dbraw/zinc/65/24/11/1130652411.db2.gz ZYYOEOAPRBHHHL-UHFFFAOYSA-N -1 0 349.477 3.614 20 0 EHADRM CC[C@H](CC(=O)[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C)C(C)C ZINC000729886810 1130652832 /nfs/dbraw/zinc/65/28/32/1130652832.db2.gz LROYNWTXJXZRJI-MRXNPFEDSA-N -1 0 339.501 3.797 20 0 EHADRM CCOc1ccc(S([O-])=CC(=O)N[C@H](C)CCCC(C)C)cc1 ZINC000730940407 1130751433 /nfs/dbraw/zinc/75/14/33/1130751433.db2.gz BSPGXPMEEGCUEK-CMJOXMDJSA-N -1 0 339.501 3.524 20 0 EHADRM O=C(C[C@H]1CCCc2ccccc21)[N-]S(=O)(=O)CC1CCCCC1 ZINC000731138781 1130771871 /nfs/dbraw/zinc/77/18/71/1130771871.db2.gz FJWFHXCNFLRXOE-QGZVFWFLSA-N -1 0 349.496 3.523 20 0 EHADRM COc1ccc(Cl)cc1CO[N-]C(=O)C(C)(C)c1ccccc1 ZINC000731210903 1130777060 /nfs/dbraw/zinc/77/70/60/1130777060.db2.gz YZBMTGSARKTDOW-UHFFFAOYSA-N -1 0 333.815 3.874 20 0 EHADRM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1n[n-]c2ccccc2c1=O ZINC000731895190 1130857906 /nfs/dbraw/zinc/85/79/06/1130857906.db2.gz LRMMRGKBIGMDQD-ZFWWWQNUSA-N -1 0 327.428 3.670 20 0 EHADRM CCCCC1CCC(NC(=O)c2n[n-]c3ccccc3c2=O)CC1 ZINC000732277723 1130905017 /nfs/dbraw/zinc/90/50/17/1130905017.db2.gz NKIVLTLUPRJKPS-UHFFFAOYSA-N -1 0 327.428 3.814 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1)c1cccs1 ZINC000732613760 1130942051 /nfs/dbraw/zinc/94/20/51/1130942051.db2.gz KEHVITJKLMTXOW-UHFFFAOYSA-N -1 0 343.429 3.534 20 0 EHADRM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)C[C@H](c1ccccc1)C(C)C ZINC000732904328 1130972150 /nfs/dbraw/zinc/97/21/50/1130972150.db2.gz DCHBDWDAADWSHW-WBVHZDCISA-N -1 0 339.501 3.699 20 0 EHADRM O=C(c1c([O-])cc(F)cc1F)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000733002971 1130977437 /nfs/dbraw/zinc/97/74/37/1130977437.db2.gz QAEGCBXWZYGLME-CQSZACIVSA-N -1 0 339.288 3.926 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)n[nH]1 ZINC000034254412 1131426238 /nfs/dbraw/zinc/42/62/38/1131426238.db2.gz LQGOOBDETNZTKE-UHFFFAOYSA-N -1 0 348.255 3.815 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)cc1 ZINC000738557434 1131472556 /nfs/dbraw/zinc/47/25/56/1131472556.db2.gz FXKMAEXYTCWQRN-MVUUYHCISA-N -1 0 343.329 3.805 20 0 EHADRM CS[C@H]1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000742326844 1131706282 /nfs/dbraw/zinc/70/62/82/1131706282.db2.gz AWXKFWHWSYCLSW-IUCAKERBSA-N -1 0 340.297 3.556 20 0 EHADRM COc1ccc(C(C)C)cc1[N-]S(=O)(=O)c1cc(N)ccc1C ZINC001173915210 1132173103 /nfs/dbraw/zinc/17/31/03/1132173103.db2.gz ISAFEUATHMMZLL-UHFFFAOYSA-N -1 0 334.441 3.510 20 0 EHADRM CS(=O)(=O)c1ccc(Nc2ccc3[n-]c(=S)sc3c2)cc1 ZINC001173943210 1132191504 /nfs/dbraw/zinc/19/15/04/1132191504.db2.gz QPLRHMSVTMOXMR-UHFFFAOYSA-N -1 0 336.463 3.732 20 0 EHADRM Cc1ccc(Nc2c(O)cc(S(=O)(=O)[O-])c3ccccc32)cc1F ZINC001174020470 1132216703 /nfs/dbraw/zinc/21/67/03/1132216703.db2.gz PFCCYEVHUQKJAN-UHFFFAOYSA-N -1 0 347.367 3.983 20 0 EHADRM O=S(=O)([O-])c1c(Nc2ccc3n[nH]cc3c2)ccc2ccccc21 ZINC001174274271 1132309079 /nfs/dbraw/zinc/30/90/79/1132309079.db2.gz VLFSSJRLXPYGMT-UHFFFAOYSA-N -1 0 339.376 3.706 20 0 EHADRM CC(C)CCn1cc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)cn1 ZINC001174417646 1132347101 /nfs/dbraw/zinc/34/71/01/1132347101.db2.gz DPBBOSLSNQFQRR-UHFFFAOYSA-N -1 0 343.836 3.573 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2ncc(F)cc2Br)c1 ZINC001174495282 1132371339 /nfs/dbraw/zinc/37/13/39/1132371339.db2.gz PIZVFIXNVALYFY-SNAWJCMRSA-N -1 0 337.148 3.825 20 0 EHADRM Cc1ccc(Nc2cccc(/C=C/C(=O)[O-])c2)c(Br)n1 ZINC001174495803 1132372284 /nfs/dbraw/zinc/37/22/84/1132372284.db2.gz XCXQRHFWRXZMGL-SOFGYWHQSA-N -1 0 333.185 3.994 20 0 EHADRM O=C([O-])/C=C/c1cccc(Nc2cccc(O)c2Br)c1 ZINC001174497470 1132373370 /nfs/dbraw/zinc/37/33/70/1132373370.db2.gz UDGPTBBQQFWUFA-BQYQJAHWSA-N -1 0 334.169 3.996 20 0 EHADRM CCc1ccc(N(CC)C(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)cc1 ZINC000746122260 1132379604 /nfs/dbraw/zinc/37/96/04/1132379604.db2.gz UMCUJOSJWSTRDZ-UHFFFAOYSA-N -1 0 349.434 3.703 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCc2cc(F)c(F)cc21 ZINC000746126955 1132379776 /nfs/dbraw/zinc/37/97/76/1132379776.db2.gz HHPHRHSYPKWLKB-UHFFFAOYSA-N -1 0 332.331 3.598 20 0 EHADRM Nc1ccc(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)c(F)c1 ZINC001174482093 1132382719 /nfs/dbraw/zinc/38/27/19/1132382719.db2.gz QOWUOGRVMZPKEM-UHFFFAOYSA-N -1 0 332.356 3.551 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ccnn1Cc1cccc(F)c1 ZINC001174674328 1132433001 /nfs/dbraw/zinc/43/30/01/1132433001.db2.gz VNFGVOMNCXUQJF-UHFFFAOYSA-N -1 0 341.342 3.521 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1csc(-c2ccncc2)n1 ZINC001174676378 1132434313 /nfs/dbraw/zinc/43/43/13/1132434313.db2.gz DSRJVHDWFLGWTO-UHFFFAOYSA-N -1 0 327.365 3.656 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ccccc1C1=NC(C)(C)CO1 ZINC001174680513 1132434716 /nfs/dbraw/zinc/43/47/16/1132434716.db2.gz XYDXEEGBDHPLOD-UHFFFAOYSA-N -1 0 340.379 3.692 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ccccc1C(=O)C(F)(F)F ZINC001174679653 1132434861 /nfs/dbraw/zinc/43/48/61/1132434861.db2.gz DRWDMKMCSWJAMF-UHFFFAOYSA-N -1 0 339.269 3.882 20 0 EHADRM COc1cc(Nc2ccc(N3CCCCC3)nc2)ccc1C(=O)[O-] ZINC001174681100 1132435152 /nfs/dbraw/zinc/43/51/52/1132435152.db2.gz LEBWINVQMFOJLN-UHFFFAOYSA-N -1 0 327.384 3.522 20 0 EHADRM CCOC(=O)c1ccc(C)c(Nc2ccc(C(=O)[O-])c(OC)c2)c1 ZINC001174685575 1132435831 /nfs/dbraw/zinc/43/58/31/1132435831.db2.gz UKIVHTORXJNLCI-UHFFFAOYSA-N -1 0 329.352 3.622 20 0 EHADRM COc1cc(Nc2ccc(N3CCCC3)c(OC)c2)ccc1C(=O)[O-] ZINC001174685967 1132435920 /nfs/dbraw/zinc/43/59/20/1132435920.db2.gz FECOJWQOGFULAI-UHFFFAOYSA-N -1 0 342.395 3.746 20 0 EHADRM CCOC(=O)c1c(Cl)cccc1Nc1ccc(C(=O)[O-])c(OC)c1 ZINC001174687160 1132436833 /nfs/dbraw/zinc/43/68/33/1132436833.db2.gz OMELVUNYFZLEFL-UHFFFAOYSA-N -1 0 349.770 3.967 20 0 EHADRM C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000192899223 1132477593 /nfs/dbraw/zinc/47/75/93/1132477593.db2.gz CQDVGAXKAZZYMR-ZBEGNZNMSA-N -1 0 349.789 3.915 20 0 EHADRM COC(=O)c1cc(F)c(Cl)cc1Nc1ccc(C(=O)[O-])s1 ZINC001174806844 1132477821 /nfs/dbraw/zinc/47/78/21/1132477821.db2.gz GAJFUAPEZWJYQV-UHFFFAOYSA-N -1 0 329.736 3.769 20 0 EHADRM CCOC(=O)c1sc(Nc2ccc(C(=O)[O-])s2)nc1C1CC1 ZINC001174807294 1132479493 /nfs/dbraw/zinc/47/94/93/1132479493.db2.gz KHIFZLWKIKPTOE-UHFFFAOYSA-N -1 0 338.410 3.701 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(OC[C@H]3CCCO3)c(F)c2)s1 ZINC001174810126 1132479930 /nfs/dbraw/zinc/47/99/30/1132479930.db2.gz HEXUPZYTTVWBKL-LLVKDONJSA-N -1 0 337.372 3.887 20 0 EHADRM Cc1cc(C)c(Nc2cccc3cccnc32)c(S(=O)(=O)[O-])c1 ZINC001174859488 1132489022 /nfs/dbraw/zinc/48/90/22/1132489022.db2.gz FYLAXPBWPRASJY-UHFFFAOYSA-N -1 0 328.393 3.842 20 0 EHADRM C[C@@H](NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000104262477 1132509115 /nfs/dbraw/zinc/50/91/15/1132509115.db2.gz UJTNSTILXGVWSW-OASPWFOLSA-N -1 0 342.222 3.838 20 0 EHADRM CC[C@](C)([N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1)C(F)(F)F ZINC000746400522 1132509995 /nfs/dbraw/zinc/50/99/95/1132509995.db2.gz JXDHFJVSVOERED-BCPZQOPPSA-N -1 0 341.782 3.961 20 0 EHADRM Cc1cnn(-c2cccc(F)c2)c1Nc1ccc(CC(=O)[O-])cc1 ZINC001174951032 1132516267 /nfs/dbraw/zinc/51/62/67/1132516267.db2.gz XMANNRDYXPJIRV-UHFFFAOYSA-N -1 0 325.343 3.691 20 0 EHADRM CCc1nc(Cl)c(Nc2ccc(CC(=O)[O-])cc2)c(Cl)n1 ZINC001174952444 1132516658 /nfs/dbraw/zinc/51/66/58/1132516658.db2.gz ZRZCXUMZTBELOA-UHFFFAOYSA-N -1 0 326.183 3.717 20 0 EHADRM Cc1cc(O)c(Nc2ccc(CC(=O)[O-])cc2)cc1Br ZINC001174953082 1132516851 /nfs/dbraw/zinc/51/68/51/1132516851.db2.gz IYHYAFGNLRGJGS-UHFFFAOYSA-N -1 0 336.185 3.834 20 0 EHADRM Nc1ccc(OC(F)(F)F)cc1Nc1ccc(CC(=O)[O-])cc1 ZINC001174955002 1132517658 /nfs/dbraw/zinc/51/76/58/1132517658.db2.gz XDCGQEOIDIWVKI-UHFFFAOYSA-N -1 0 326.274 3.538 20 0 EHADRM O=C([O-])Cc1ccc(Nc2cccc(F)c2OC[C@H]2CCCO2)cc1 ZINC001174957273 1132518729 /nfs/dbraw/zinc/51/87/29/1132518729.db2.gz YKZMRXIERYSBAE-OAHLLOKOSA-N -1 0 345.370 3.754 20 0 EHADRM COc1c(C)cc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])cc1C ZINC001174999374 1132525341 /nfs/dbraw/zinc/52/53/41/1132525341.db2.gz SMZFCVHGVWQCKP-UHFFFAOYSA-N -1 0 341.816 3.956 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1nc(C)c(Br)c(C)n1 ZINC001174982399 1132535132 /nfs/dbraw/zinc/53/51/32/1132535132.db2.gz WWRVRRQFYVBRTE-UHFFFAOYSA-N -1 0 336.189 3.606 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1Nc1ccc(OC2CCOCC2)cc1 ZINC001174984634 1132535452 /nfs/dbraw/zinc/53/54/52/1132535452.db2.gz QNYGAWFKGRYSGI-UHFFFAOYSA-N -1 0 327.380 3.995 20 0 EHADRM COC(=O)CCCc1ccc(Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC001174985044 1132536653 /nfs/dbraw/zinc/53/66/53/1132536653.db2.gz ZUXYCLCKYCYFEM-UHFFFAOYSA-N -1 0 327.380 3.933 20 0 EHADRM Cc1cc(C)c(Nc2cc(F)c(F)cc2F)c(S(=O)(=O)[O-])c1 ZINC001175087424 1132563937 /nfs/dbraw/zinc/56/39/37/1132563937.db2.gz RUBHGFAHXFZYAY-UHFFFAOYSA-N -1 0 331.315 3.711 20 0 EHADRM Cc1cc(Nc2ccc(C(=O)[O-])c(F)c2)n(Cc2ccc(F)cc2)n1 ZINC001175157212 1132569654 /nfs/dbraw/zinc/56/96/54/1132569654.db2.gz CARVLAMVYDHRDC-UHFFFAOYSA-N -1 0 343.333 3.960 20 0 EHADRM O=C([O-])c1ccc(Nc2cnc3c(C4CCC4)cnn3c2)cc1F ZINC001175157957 1132569729 /nfs/dbraw/zinc/56/97/29/1132569729.db2.gz JLFBSNRTVUAMMB-UHFFFAOYSA-N -1 0 326.331 3.578 20 0 EHADRM O=C([O-])c1ccc(Nc2c(F)cccc2OC[C@H]2CCCO2)cc1F ZINC001175161951 1132586162 /nfs/dbraw/zinc/58/61/62/1132586162.db2.gz ODIOLISVZLTAQB-GFCCVEGCSA-N -1 0 349.333 3.964 20 0 EHADRM Cc1cc(Br)nc(Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC001175215630 1132597733 /nfs/dbraw/zinc/59/77/33/1132597733.db2.gz OHAIIEWUAACUAN-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM CC1(C)Cc2c(Nc3ccc(F)c(C(=O)[O-])c3)cccc2NC1=O ZINC001175222191 1132600054 /nfs/dbraw/zinc/60/00/54/1132600054.db2.gz UFIYJQYXYFFYDC-UHFFFAOYSA-N -1 0 328.343 3.788 20 0 EHADRM NC(=O)c1oc2ccccc2c1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175315298 1132635914 /nfs/dbraw/zinc/63/59/14/1132635914.db2.gz DGIIHOBTRGSDSZ-UHFFFAOYSA-N -1 0 330.727 3.627 20 0 EHADRM Cc1cnn(Cc2ccccn2)c1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175316942 1132636228 /nfs/dbraw/zinc/63/62/28/1132636228.db2.gz VQVNEARUOSXSLE-UHFFFAOYSA-N -1 0 342.786 3.730 20 0 EHADRM COc1ccc(Nc2ccc(C(=O)[O-])c(Cl)c2)c(OC)c1F ZINC001175319844 1132638072 /nfs/dbraw/zinc/63/80/72/1132638072.db2.gz CKVJFJUTKJHRQC-UHFFFAOYSA-N -1 0 325.723 3.938 20 0 EHADRM COCCn1nc(-c2ccccc2)cc1Nc1cccc(C(=O)[O-])c1 ZINC001175328178 1132640034 /nfs/dbraw/zinc/64/00/34/1132640034.db2.gz CWGMHRLBQGKYKN-UHFFFAOYSA-N -1 0 337.379 3.638 20 0 EHADRM O=C([O-])c1cccc(Nc2cc(Cl)cc(Br)n2)c1 ZINC001175328009 1132640522 /nfs/dbraw/zinc/64/05/22/1132640522.db2.gz AVHQTEWCMQHGQK-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM CN1CCN(c2ccc(Nc3cccc(C(=O)[O-])c3)cc2Cl)CC1 ZINC001175330058 1132641223 /nfs/dbraw/zinc/64/12/23/1132641223.db2.gz ZEZMEMWGFGOYKH-UHFFFAOYSA-N -1 0 345.830 3.534 20 0 EHADRM FC(F)(F)c1ccc([S-])c(Nc2ccc(-c3nn[nH]n3)cc2)c1 ZINC001175429675 1132666844 /nfs/dbraw/zinc/66/68/44/1132666844.db2.gz MMUXEFVFILCJTE-UHFFFAOYSA-N -1 0 337.330 3.918 20 0 EHADRM O=c1cc(CNc2nc3ccccc3c(Oc3ccccc3)n2)o[n-]1 ZINC001169483594 1132765085 /nfs/dbraw/zinc/76/50/85/1132765085.db2.gz AHGRCOXCUCOLII-UHFFFAOYSA-N -1 0 334.335 3.728 20 0 EHADRM O=c1cc(CNc2nc3cc(C(F)(F)F)ccc3nc2Cl)o[n-]1 ZINC001169482158 1132765389 /nfs/dbraw/zinc/76/53/89/1132765389.db2.gz OGRMGMPGCULYDZ-UHFFFAOYSA-N -1 0 344.680 3.608 20 0 EHADRM O=C([O-])c1cncc(Nc2cc(Cl)ccc2Br)c1 ZINC001175842034 1132773105 /nfs/dbraw/zinc/77/31/05/1132773105.db2.gz KYISEQAWTWGYEA-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM Cc1cc(Nc2cncc(C(=O)[O-])c2)n(-c2ccccc2Cl)n1 ZINC001175838287 1132773122 /nfs/dbraw/zinc/77/31/22/1132773122.db2.gz OYEKAHBYSUWEGA-UHFFFAOYSA-N -1 0 328.759 3.671 20 0 EHADRM Cc1cc(S(=O)(=O)[O-])c(Nc2cccc3c2OCC3)cc1Cl ZINC001176075491 1132829646 /nfs/dbraw/zinc/82/96/46/1132829646.db2.gz PHLAQYMGOPCXDH-UHFFFAOYSA-N -1 0 339.800 3.574 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)CCC2)c1c(Cl)ccnc1Cl ZINC000766892225 1132911591 /nfs/dbraw/zinc/91/15/91/1132911591.db2.gz OVRPWCCTTYTERO-UHFFFAOYSA-N -1 0 343.235 3.678 20 0 EHADRM COCCn1nc(-c2ccccc2)cc1Nc1csc(C(=O)[O-])c1 ZINC001176435783 1132928631 /nfs/dbraw/zinc/92/86/31/1132928631.db2.gz FYRYZXGNWKVCSQ-UHFFFAOYSA-N -1 0 343.408 3.700 20 0 EHADRM Cc1cc(Nc2nc[n-]c(=O)c2Br)c(F)cc1Cl ZINC001176523662 1132956810 /nfs/dbraw/zinc/95/68/10/1132956810.db2.gz VQJVXPMQVAZOFX-UHFFFAOYSA-N -1 0 332.560 3.789 20 0 EHADRM O=C(c1cc(Nc2ccc([S-])cc2)ccc1Cl)N1CCOCC1 ZINC001176532487 1132958212 /nfs/dbraw/zinc/95/82/12/1132958212.db2.gz FZODIQZCGLKJKK-UHFFFAOYSA-N -1 0 348.855 3.845 20 0 EHADRM COC(=O)c1cc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)ccc1C ZINC001176589520 1132962610 /nfs/dbraw/zinc/96/26/10/1132962610.db2.gz HPAVSBQYGRLATC-UHFFFAOYSA-N -1 0 325.364 3.641 20 0 EHADRM Cc1nc(Nc2ccc(/C=C/C(=O)[O-])cc2)nc(C)c1Br ZINC001176592159 1132963162 /nfs/dbraw/zinc/96/31/62/1132963162.db2.gz VMNYAOWYRWBPGC-VMPITWQZSA-N -1 0 348.200 3.697 20 0 EHADRM COC(=O)c1cc(F)c(F)cc1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176592642 1132963269 /nfs/dbraw/zinc/96/32/69/1132963269.db2.gz LJDKAIJBAGWWHR-QPJJXVBHSA-N -1 0 333.290 3.593 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2cc(O)ccc2Br)cc1 ZINC001176592148 1132963648 /nfs/dbraw/zinc/96/36/48/1132963648.db2.gz ARMYATPHHKLBMO-FPYGCLRLSA-N -1 0 334.169 3.996 20 0 EHADRM CCOC(=O)c1c(Nc2ccc(/C=C/C(=O)[O-])cc2)ccn1CC ZINC001176594730 1132963679 /nfs/dbraw/zinc/96/36/79/1132963679.db2.gz YZXPPWDZYFHDFF-JXMROGBWSA-N -1 0 328.368 3.526 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2ccnc(F)c2Br)cc1 ZINC001176594042 1132963697 /nfs/dbraw/zinc/96/36/97/1132963697.db2.gz MKIRHZLRHUDZTB-ZZXKWVIFSA-N -1 0 337.148 3.825 20 0 EHADRM O=C([O-])/C=C/c1ccc(Nc2ccc(Br)cc2CO)cc1 ZINC001176595975 1132964082 /nfs/dbraw/zinc/96/40/82/1132964082.db2.gz YJILVKROOCMMPF-FPYGCLRLSA-N -1 0 348.196 3.783 20 0 EHADRM COc1ccc(Nc2cc(Cl)cc(Cl)c2)c(S(=O)(=O)[O-])c1 ZINC001176572322 1132970432 /nfs/dbraw/zinc/97/04/32/1132970432.db2.gz XSVPIUUBXSCPHW-UHFFFAOYSA-N -1 0 348.207 3.992 20 0 EHADRM COc1ccc(O)cc1Nc1cccc2cc(S(=O)(=O)[O-])ccc21 ZINC001176579979 1132971588 /nfs/dbraw/zinc/97/15/88/1132971588.db2.gz GEDXDGVVCLGUMW-UHFFFAOYSA-N -1 0 345.376 3.544 20 0 EHADRM CCOc1cc(Nc2ccc(F)c(Br)c2[O-])c(F)cn1 ZINC001176603691 1132977817 /nfs/dbraw/zinc/97/78/17/1132977817.db2.gz LTSRYHQGXSQOIK-UHFFFAOYSA-N -1 0 345.143 3.970 20 0 EHADRM Nc1ccc(F)c(Br)c1Nc1ccc(C(=O)[O-])cc1 ZINC001176714082 1132995890 /nfs/dbraw/zinc/99/58/90/1132995890.db2.gz GLZBGIWCLAAGSH-UHFFFAOYSA-N -1 0 325.137 3.612 20 0 EHADRM Cc1ccc(CNC(=O)c2ccc(O)cc2F)cc1Br ZINC001177100741 1133030856 /nfs/dbraw/zinc/03/08/56/1133030856.db2.gz DNGWIRMQDKEJLX-UHFFFAOYSA-N -1 0 338.176 3.532 20 0 EHADRM Cc1ccc(C(=O)NCc2ccc(C)c(Br)c2)c(O)c1 ZINC001177101629 1133031191 /nfs/dbraw/zinc/03/11/91/1133031191.db2.gz QHYKCIJLXLVOFE-UHFFFAOYSA-N -1 0 334.213 3.702 20 0 EHADRM Cc1nc(CC(=O)Nc2c(Cl)ccc([O-])c2Cl)c(C)s1 ZINC001177271320 1133050615 /nfs/dbraw/zinc/05/06/15/1133050615.db2.gz JBPBAAPYGFFRFN-UHFFFAOYSA-N -1 0 331.224 3.954 20 0 EHADRM CC(=O)[C@@H](Cc1ccccc1F)OC(=O)c1ccc([O-])c(Cl)c1 ZINC000768374505 1133132438 /nfs/dbraw/zinc/13/24/38/1133132438.db2.gz RQAPDNUEGRWMID-MRXNPFEDSA-N -1 0 336.746 3.542 20 0 EHADRM C[C@@H]1CCC[C@H]1CC(=O)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000769304895 1133256818 /nfs/dbraw/zinc/25/68/18/1133256818.db2.gz HAKQGJQJHUHEDH-NEPJUHHUSA-N -1 0 343.514 3.677 20 0 EHADRM CC[C@H](C)N(OC)C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000769445003 1133284547 /nfs/dbraw/zinc/28/45/47/1133284547.db2.gz HFANWOGWESXGLR-ZDUSSCGKSA-N -1 0 331.416 3.503 20 0 EHADRM Cc1c(Cl)cc(NC(=O)C[C@@](C)(O)C(F)(F)F)c([O-])c1Cl ZINC001179813393 1133286059 /nfs/dbraw/zinc/28/60/59/1133286059.db2.gz CPASAWIRNSMLBW-LLVKDONJSA-N -1 0 346.132 3.649 20 0 EHADRM CC(C)NC(=O)Nc1ccccc1NC(=O)c1c([O-])cccc1Cl ZINC000769702257 1133332112 /nfs/dbraw/zinc/33/21/12/1133332112.db2.gz UTPVIHIXFGXZKU-UHFFFAOYSA-N -1 0 347.802 3.828 20 0 EHADRM CC(C)(C)OC(=O)c1ccccc1NC(=O)C1(C(=O)[O-])CCCCC1 ZINC001180436649 1133369417 /nfs/dbraw/zinc/36/94/17/1133369417.db2.gz PNESZEOPCHCBFX-UHFFFAOYSA-N -1 0 347.411 3.616 20 0 EHADRM CCc1ccc([O-])c(C(=O)N=[S@@](C)(=O)c2cccc(Cl)c2)c1 ZINC001180602100 1133398607 /nfs/dbraw/zinc/39/86/07/1133398607.db2.gz FHNVGYBCZKQDLD-QFIPXVFZSA-N -1 0 337.828 3.905 20 0 EHADRM O=C([O-])c1cc(Br)cc(NCCC(=O)c2ccccc2)c1 ZINC001170015703 1133452830 /nfs/dbraw/zinc/45/28/30/1133452830.db2.gz UFBDCBBISVGDPF-UHFFFAOYSA-N -1 0 348.196 3.832 20 0 EHADRM COc1cc(Cl)ccc1NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000773901787 1133455200 /nfs/dbraw/zinc/45/52/00/1133455200.db2.gz VVOSYHQCWAJAHK-SFHVURJKSA-N -1 0 347.798 3.720 20 0 EHADRM CN(C)c1cc(C(=O)Nc2cc(F)cc(Cl)c2[O-])cc(Cl)n1 ZINC000771506919 1133568428 /nfs/dbraw/zinc/56/84/28/1133568428.db2.gz YRZFIPKIWOOMBT-UHFFFAOYSA-N -1 0 344.173 3.551 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)[C@H](C)CC(C)(C)C ZINC000774280714 1133656071 /nfs/dbraw/zinc/65/60/71/1133656071.db2.gz MIIZNCOEWGVQSB-LLVKDONJSA-N -1 0 331.865 3.526 20 0 EHADRM Cc1c(Cl)cc(NC(=O)C2COC(C(C)C)OC2)c([O-])c1Cl ZINC001183177915 1133775944 /nfs/dbraw/zinc/77/59/44/1133775944.db2.gz PJUYNOWBXNKUFL-UHFFFAOYSA-N -1 0 348.226 3.591 20 0 EHADRM O=C(Cc1ccc([S-])cc1)Nc1ccc(OC2CCOCC2)cc1 ZINC001183187663 1133776638 /nfs/dbraw/zinc/77/66/38/1133776638.db2.gz AKNSNBGJQLYMRH-UHFFFAOYSA-N -1 0 343.448 3.714 20 0 EHADRM O=C(Cc1ccc([S-])cc1)Nc1ccc(OCC2CCC2)nc1 ZINC001183186472 1133776954 /nfs/dbraw/zinc/77/69/54/1133776954.db2.gz TVPTVGBXMYTKRQ-UHFFFAOYSA-N -1 0 328.437 3.730 20 0 EHADRM O=C(Cc1ccc([S-])cc1)N(Cc1cccnc1)Cc1ccccn1 ZINC001183191304 1133777701 /nfs/dbraw/zinc/77/77/01/1133777701.db2.gz WXCHXEIBEWFFID-UHFFFAOYSA-N -1 0 349.459 3.537 20 0 EHADRM Cc1ccc(CNC(=O)c2c([O-])cc(Cl)cc2Cl)nc1C ZINC001183669992 1133839758 /nfs/dbraw/zinc/83/97/58/1133839758.db2.gz MLGLYYJMTYOTFY-UHFFFAOYSA-N -1 0 325.195 3.641 20 0 EHADRM CCCC(C)(C)CC(=O)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000786471958 1133851789 /nfs/dbraw/zinc/85/17/89/1133851789.db2.gz XLFNYAHPLZEWCW-UHFFFAOYSA-N -1 0 349.855 3.809 20 0 EHADRM Cc1cc(C)c(O)c(NC(=O)c2ccc(Br)c([O-])c2)c1 ZINC001184109350 1133894813 /nfs/dbraw/zinc/89/48/13/1133894813.db2.gz SNUKUHCXGYRMMC-UHFFFAOYSA-N -1 0 336.185 3.729 20 0 EHADRM CC(C)(NC(=O)CCC(=O)C=C([O-])c1ccc(Cl)cc1)C1CC1 ZINC001184118575 1133900811 /nfs/dbraw/zinc/90/08/11/1133900811.db2.gz COFDJWZHZLARKF-UHFFFAOYSA-N -1 0 335.831 3.567 20 0 EHADRM CC(C)c1cccnc1[N-]S(=O)(=O)c1ccc(-c2cnco2)cc1 ZINC001185196391 1134055622 /nfs/dbraw/zinc/05/56/22/1134055622.db2.gz OIQVYOZAIXLNIF-UHFFFAOYSA-N -1 0 343.408 3.661 20 0 EHADRM O=S(=O)([N-]c1ncccc1Oc1ccccc1)c1ccsc1 ZINC001185341865 1134075124 /nfs/dbraw/zinc/07/51/24/1134075124.db2.gz JMHKYSVGDTWLOG-UHFFFAOYSA-N -1 0 332.406 3.736 20 0 EHADRM C[C@@]1(CF)CC(F)(F)CN1C(=O)C=C([O-])c1ccccc1Cl ZINC001185427415 1134083751 /nfs/dbraw/zinc/08/37/51/1134083751.db2.gz UVXCHZGFODMTDU-AWEZNQCLSA-N -1 0 333.737 3.509 20 0 EHADRM CC(C)Cc1cc([N-]S(=O)(=O)c2cc3ccccc3s2)on1 ZINC001185426134 1134083767 /nfs/dbraw/zinc/08/37/67/1134083767.db2.gz HYBWCSDJYCNONR-UHFFFAOYSA-N -1 0 336.438 3.889 20 0 EHADRM Cc1onc(OC(F)F)c1[N-]C(=O)c1nc(Cl)ccc1Cl ZINC000788112237 1134086065 /nfs/dbraw/zinc/08/60/65/1134086065.db2.gz QATCJYKIJFDSCD-UHFFFAOYSA-N -1 0 338.097 3.539 20 0 EHADRM O=S(=O)([N-]c1cccc2c1COC2)c1cc2ccccc2s1 ZINC001185462612 1134092290 /nfs/dbraw/zinc/09/22/90/1134092290.db2.gz IRLUHWVCPUHDOQ-UHFFFAOYSA-N -1 0 331.418 3.732 20 0 EHADRM O=c1[nH]c2cc([N-]S(=O)(=O)c3cc4ccccc4s3)ccc2o1 ZINC001185464283 1134092818 /nfs/dbraw/zinc/09/28/18/1134092818.db2.gz QYHFYRANVSXABN-UHFFFAOYSA-N -1 0 346.389 3.549 20 0 EHADRM Cc1cc(C)c(O)c([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)c1 ZINC001185524836 1134102875 /nfs/dbraw/zinc/10/28/75/1134102875.db2.gz NITGDOFGARFBDC-UHFFFAOYSA-N -1 0 325.817 3.772 20 0 EHADRM O=S(=O)([N-]c1cncc(-c2ccccc2)c1)c1ccc(Cl)nc1 ZINC001185653308 1134117660 /nfs/dbraw/zinc/11/76/60/1134117660.db2.gz YBQDXYOVNFDCBJ-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM Cc1ccc(OC(C)C)cc1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC001185686756 1134120170 /nfs/dbraw/zinc/12/01/70/1134120170.db2.gz BFEWKMYSFSMCJV-UHFFFAOYSA-N -1 0 340.832 3.631 20 0 EHADRM O=C(Nc1cccnc1)Nc1cc(Br)cc(Cl)c1[O-] ZINC001185702633 1134121857 /nfs/dbraw/zinc/12/18/57/1134121857.db2.gz IJKQSDLPBCODLK-UHFFFAOYSA-N -1 0 342.580 3.847 20 0 EHADRM O=C(NCc1cc(OC(F)(F)F)ccc1F)c1cccc([S-])c1 ZINC001186156258 1134176288 /nfs/dbraw/zinc/17/62/88/1134176288.db2.gz LRRVAWQVEJCJPV-UHFFFAOYSA-N -1 0 345.317 3.943 20 0 EHADRM Nc1cc(F)c(Br)cc1NC(=O)c1cccc([S-])c1 ZINC001186152809 1134176608 /nfs/dbraw/zinc/17/66/08/1134176608.db2.gz PKJGVKKZDPEAKD-UHFFFAOYSA-N -1 0 341.205 3.711 20 0 EHADRM CC[C@H](NS(=O)(=O)c1cccc(Cl)c1[O-])c1ccc(C)cc1 ZINC001186341129 1134204539 /nfs/dbraw/zinc/20/45/39/1134204539.db2.gz ULLPREGFUBYUGW-AWEZNQCLSA-N -1 0 339.844 3.784 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2csc3ccccc32)n(C(C)(C)C)n1 ZINC001186451228 1134214521 /nfs/dbraw/zinc/21/45/21/1134214521.db2.gz DTNBGFUALULTBZ-UHFFFAOYSA-N -1 0 349.481 3.962 20 0 EHADRM Cc1cc(NC(=O)c2cc(F)c(F)c([O-])c2F)cc2scnc21 ZINC001186779302 1134256641 /nfs/dbraw/zinc/25/66/41/1134256641.db2.gz JIFNNWUNFOLKPK-UHFFFAOYSA-N -1 0 338.310 3.980 20 0 EHADRM O=C(NCc1ccc(C(F)(F)F)cc1)Nc1ncc(Cl)cc1[O-] ZINC001186782457 1134257083 /nfs/dbraw/zinc/25/70/83/1134257083.db2.gz ZTYPTXDXOPXXJF-UHFFFAOYSA-N -1 0 345.708 3.781 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cc1OCc1ccccc1)c1ccco1 ZINC001186863337 1134270658 /nfs/dbraw/zinc/27/06/58/1134270658.db2.gz MINDPRZYEPUGRC-UHFFFAOYSA-N -1 0 347.367 3.799 20 0 EHADRM Cc1c(Cl)cc(NC(=O)[C@H](O)C2CCCCC2)c([O-])c1Cl ZINC001187000488 1134285722 /nfs/dbraw/zinc/28/57/22/1134285722.db2.gz GXEAJXZBAGVXFI-CYBMUJFWSA-N -1 0 332.227 3.887 20 0 EHADRM Cc1noc(C)c1[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC001187035631 1134293398 /nfs/dbraw/zinc/29/33/98/1134293398.db2.gz GWAYDMUXIOAGTO-UHFFFAOYSA-N -1 0 335.212 3.540 20 0 EHADRM CC(=O)c1ccsc1[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187185486 1134307275 /nfs/dbraw/zinc/30/72/75/1134307275.db2.gz ZOZGBUKBRBTMHS-UHFFFAOYSA-N -1 0 341.479 3.692 20 0 EHADRM Cc1nc([N-]S(=O)(=O)CCc2cccc3ccccc32)sc1C ZINC001187608030 1134356088 /nfs/dbraw/zinc/35/60/88/1134356088.db2.gz KGCYYKZCHZJVRB-UHFFFAOYSA-N -1 0 346.477 3.898 20 0 EHADRM CCc1ccccc1NC(=O)Nc1c(C)cc(C)cc1S(=O)(=O)[O-] ZINC001187641080 1134360916 /nfs/dbraw/zinc/36/09/16/1134360916.db2.gz JAFOULPDNQPATD-UHFFFAOYSA-N -1 0 348.424 3.757 20 0 EHADRM COCc1ccc([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)cc1 ZINC000790071434 1134363140 /nfs/dbraw/zinc/36/31/40/1134363140.db2.gz JEFBWISGNGDQBC-UHFFFAOYSA-N -1 0 347.770 3.565 20 0 EHADRM CCO[C@@H](CCNC(=O)c1ccc2[n-]c(=S)oc2c1)C1CCCC1 ZINC000746878152 1134369355 /nfs/dbraw/zinc/36/93/55/1134369355.db2.gz FULQKCZTYPABAW-HNNXBMFYSA-N -1 0 348.468 3.832 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccnn1C1CCCCC1 ZINC000775144496 1134385791 /nfs/dbraw/zinc/38/57/91/1134385791.db2.gz YSLBJXWDESKDJU-UHFFFAOYSA-N -1 0 337.420 3.637 20 0 EHADRM Cc1cc(O)cc(NC(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])c1 ZINC001170130930 1134387918 /nfs/dbraw/zinc/38/79/18/1134387918.db2.gz QZAHCMPKVIFXSZ-UHFFFAOYSA-N -1 0 337.331 3.731 20 0 EHADRM COc1ccccc1-c1ccc([N-]S(=O)(=O)c2nccs2)cc1 ZINC001187890380 1134398866 /nfs/dbraw/zinc/39/88/66/1134398866.db2.gz GHWXMRHVSIHCPG-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2nccc3ccncc32)s1 ZINC000790645098 1134450652 /nfs/dbraw/zinc/45/06/52/1134450652.db2.gz UGAZBMJJFOVHPZ-UHFFFAOYSA-N -1 0 347.465 3.790 20 0 EHADRM COc1ccc(NC(=O)Nc2ccc([S-])c(OC)c2)c(OC)c1 ZINC001188551793 1134475340 /nfs/dbraw/zinc/47/53/40/1134475340.db2.gz MGLKSSKRTQMZCR-UHFFFAOYSA-N -1 0 334.397 3.645 20 0 EHADRM O=S(=O)([N-]c1ccc(OC(F)(F)F)c(Cl)c1)c1ccoc1 ZINC001188569607 1134477286 /nfs/dbraw/zinc/47/72/86/1134477286.db2.gz UJRPEGWPQRVJLV-UHFFFAOYSA-N -1 0 341.694 3.632 20 0 EHADRM O=S(=O)([N-]c1cccc(F)c1OC1CCCC1)c1ccoc1 ZINC001188614308 1134482310 /nfs/dbraw/zinc/48/23/10/1134482310.db2.gz SLHCACQPZODXMH-UHFFFAOYSA-N -1 0 325.361 3.541 20 0 EHADRM O=S(=O)([N-]c1cc(F)ccc1OC1CCCC1)c1ccoc1 ZINC001188614407 1134482377 /nfs/dbraw/zinc/48/23/77/1134482377.db2.gz XQJPLGMSXAWIEK-UHFFFAOYSA-N -1 0 325.361 3.541 20 0 EHADRM O=C(Nc1ccc(Oc2ccc(F)cc2F)nc1)c1ccncc1[O-] ZINC001188628465 1134490569 /nfs/dbraw/zinc/49/05/69/1134490569.db2.gz ABZZMBGBXLEHDV-UHFFFAOYSA-N -1 0 343.289 3.505 20 0 EHADRM O=C(c1ccncc1[O-])N1CCC(c2ccc3ccccc3c2)CC1 ZINC001188629774 1134490931 /nfs/dbraw/zinc/49/09/31/1134490931.db2.gz PWRMBZFKHLOIIX-UHFFFAOYSA-N -1 0 332.403 3.960 20 0 EHADRM Cc1cc(C)c(C(=O)COC(=O)c2c(F)cc([O-])cc2F)c(C)c1 ZINC000746987255 1134520920 /nfs/dbraw/zinc/52/09/20/1134520920.db2.gz UASXAHFBCPYKIY-UHFFFAOYSA-N -1 0 334.318 3.635 20 0 EHADRM CC(C)[C@@H]1CCc2ccccc2[C@@H]1NS(=O)(=O)c1ccccc1[O-] ZINC001189019359 1134533650 /nfs/dbraw/zinc/53/36/50/1134533650.db2.gz GRJIEQOQMULFEJ-HNAYVOBHSA-N -1 0 345.464 3.630 20 0 EHADRM O=C(Nc1c(Cl)ccc([O-])c1Cl)c1cc(F)nc(F)c1F ZINC001189174267 1134553294 /nfs/dbraw/zinc/55/32/94/1134553294.db2.gz NNHPTGICCNYPHH-UHFFFAOYSA-N -1 0 337.084 3.764 20 0 EHADRM O=S(=O)(Cc1ccc(F)c(F)c1)Nc1c([S-])cccc1Cl ZINC001189316287 1134570141 /nfs/dbraw/zinc/57/01/41/1134570141.db2.gz NEYSAWVNEJQHPP-UHFFFAOYSA-N -1 0 349.811 3.849 20 0 EHADRM CCOC(=O)c1cnc(NC(=O)c2cccc(-c3ccsc3)c2)[n-]1 ZINC001189361887 1134581419 /nfs/dbraw/zinc/58/14/19/1134581419.db2.gz LPPRAOHIVPZWKX-UHFFFAOYSA-N -1 0 341.392 3.567 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)Cc2cccc(F)c2F)sn1 ZINC001189425264 1134585833 /nfs/dbraw/zinc/58/58/33/1134585833.db2.gz FSCDJNROTAVURC-UHFFFAOYSA-N -1 0 346.424 3.661 20 0 EHADRM CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000791952582 1134637842 /nfs/dbraw/zinc/63/78/42/1134637842.db2.gz FTQYGFNKQIGIRU-AWEZNQCLSA-N -1 0 348.468 3.646 20 0 EHADRM Nc1cccc2c1N(C(=O)c1cc(Br)ccc1[S-])CC2 ZINC001189961031 1134642825 /nfs/dbraw/zinc/64/28/25/1134642825.db2.gz HUACYCBSJOYTHV-UHFFFAOYSA-N -1 0 349.253 3.523 20 0 EHADRM C[C@]12CCN(C(=O)c3ccc(Cl)c([O-])c3)C[C@H]1C2(Cl)Cl ZINC001157653139 1134651178 /nfs/dbraw/zinc/65/11/78/1134651178.db2.gz HNPXBPQFSVTUGV-YPMHNXCESA-N -1 0 334.630 3.702 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ncc(F)cc2F)c2ccccc12 ZINC001190182955 1134668503 /nfs/dbraw/zinc/66/85/03/1134668503.db2.gz GAPHJYVCXRRYSY-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM Cc1nc2c(cccc2C(=O)Nc2ccc3[n-]c(=S)oc3c2)o1 ZINC000792231441 1134669763 /nfs/dbraw/zinc/66/97/63/1134669763.db2.gz QLKTUHCCNYCVRY-UHFFFAOYSA-N -1 0 325.349 3.818 20 0 EHADRM O=S(=O)([N-]c1ccc2occc2c1)c1cc(F)cc(F)c1F ZINC001190392646 1134690485 /nfs/dbraw/zinc/69/04/85/1134690485.db2.gz VYPPMYSYGQIRIH-UHFFFAOYSA-N -1 0 327.283 3.651 20 0 EHADRM O=C(c1c([O-])cccc1Cl)N1CCN(C2CC2)c2ccc(F)cc21 ZINC000775378215 1134692495 /nfs/dbraw/zinc/69/24/95/1134692495.db2.gz YANHCXCMFOICBL-UHFFFAOYSA-N -1 0 346.789 3.814 20 0 EHADRM O=S(=O)([N-]c1nc2ccccc2s1)c1ccc(C2CC2)cc1 ZINC001190460032 1134704645 /nfs/dbraw/zinc/70/46/45/1134704645.db2.gz CAIWYIMUECIDGP-UHFFFAOYSA-N -1 0 330.434 3.975 20 0 EHADRM O=S(=O)([O-])c1cccc(NCc2nc(-c3ccccc3)cs2)c1 ZINC001170247083 1134730659 /nfs/dbraw/zinc/73/06/59/1134730659.db2.gz IYTQYPIOOGETPL-UHFFFAOYSA-N -1 0 346.433 3.669 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)c(-c2ccccc2)c1)c1ncc[nH]1 ZINC001190736941 1134744412 /nfs/dbraw/zinc/74/44/12/1134744412.db2.gz JZOCXXXGNYEDKY-UHFFFAOYSA-N -1 0 333.800 3.531 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cccc3ocnc32)cc1 ZINC001191248429 1134836676 /nfs/dbraw/zinc/83/66/76/1134836676.db2.gz AILCOCXOLYSMAT-UHFFFAOYSA-N -1 0 330.409 3.971 20 0 EHADRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cccc([C@H](C)O)c1 ZINC001191651421 1134899977 /nfs/dbraw/zinc/89/99/77/1134899977.db2.gz BAPOUHHINPEZJZ-ZDUSSCGKSA-N -1 0 349.452 3.673 20 0 EHADRM Cc1cccc2cc(C(=O)[N-]S(=O)(=O)c3ccc(Cl)cc3)oc21 ZINC000747113410 1134908835 /nfs/dbraw/zinc/90/88/35/1134908835.db2.gz WHPUCJIWPPXJRE-UHFFFAOYSA-N -1 0 349.795 3.513 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cnccc1C1CCC1 ZINC001191792823 1134924786 /nfs/dbraw/zinc/92/47/86/1134924786.db2.gz NQWHPLZDQIKNKH-UHFFFAOYSA-N -1 0 346.452 3.857 20 0 EHADRM CC(=O)c1ccsc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1F ZINC001191866466 1134937681 /nfs/dbraw/zinc/93/76/81/1134937681.db2.gz UBHNXAHUCIUNLT-UHFFFAOYSA-N -1 0 347.820 3.685 20 0 EHADRM CCOC1(C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)CCCC1 ZINC000793459493 1134941916 /nfs/dbraw/zinc/94/19/16/1134941916.db2.gz DRRKSJOSZGKAEZ-UHFFFAOYSA-N -1 0 331.334 3.603 20 0 EHADRM Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3cncc(O)c3)cc2)cc1 ZINC001192064508 1134964076 /nfs/dbraw/zinc/96/40/76/1134964076.db2.gz UVXGFSQHSCYBCX-UHFFFAOYSA-N -1 0 340.404 3.563 20 0 EHADRM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC001192350719 1135004219 /nfs/dbraw/zinc/00/42/19/1135004219.db2.gz CCFPIIMIVQFVJM-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CCN(C(=O)c1ccc(F)c(F)c1[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC001192784457 1135054344 /nfs/dbraw/zinc/05/43/44/1135054344.db2.gz MADVXBONTSZMIW-GFCCVEGCSA-N -1 0 349.377 3.772 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3occc3c2)c1 ZINC001192816021 1135058153 /nfs/dbraw/zinc/05/81/53/1135058153.db2.gz FTTPNYMLMAROBK-UHFFFAOYSA-N -1 0 331.393 3.805 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(C3CC3)c2)c1 ZINC001192816281 1135058242 /nfs/dbraw/zinc/05/82/42/1135058242.db2.gz LUVBRXGZPNKWHA-UHFFFAOYSA-N -1 0 331.437 3.936 20 0 EHADRM O=C(Nc1cncc(-c2ccccc2)c1)c1ccc([O-])c(F)c1F ZINC001192826560 1135060564 /nfs/dbraw/zinc/06/05/64/1135060564.db2.gz CYLKAGQQXRDKLM-UHFFFAOYSA-N -1 0 326.302 3.985 20 0 EHADRM O=C(Nc1ccncc1Oc1ccccc1)c1ccc([O-])c(F)c1F ZINC001192827034 1135060626 /nfs/dbraw/zinc/06/06/26/1135060626.db2.gz JBKMPGMXNVJATH-UHFFFAOYSA-N -1 0 342.301 3.532 20 0 EHADRM Cc1ccc2[nH]cc(CN(C)C(=O)c3cc(F)c([O-])cc3F)c2c1 ZINC001192866904 1135061936 /nfs/dbraw/zinc/06/19/36/1135061936.db2.gz LNEWTTWAYPYKAH-UHFFFAOYSA-N -1 0 330.334 3.732 20 0 EHADRM O=C(c1ccc([O-])c(F)c1F)N1CCC[C@H]1c1ccc(F)cc1F ZINC001192839505 1135063035 /nfs/dbraw/zinc/06/30/35/1135063035.db2.gz IZQRUWTZEREHSF-ZDUSSCGKSA-N -1 0 339.288 3.926 20 0 EHADRM COc1ccc(CC2(NC(=O)c3ccc([O-])c(F)c3F)CCC2)cc1 ZINC001192848226 1135064564 /nfs/dbraw/zinc/06/45/64/1135064564.db2.gz CBMXURUFLHIGPU-UHFFFAOYSA-N -1 0 347.361 3.574 20 0 EHADRM O=S(=O)([N-]c1ccc2c3c(cccc31)CC2)c1cnccc1Cl ZINC001192897337 1135069396 /nfs/dbraw/zinc/06/93/96/1135069396.db2.gz PKXIYMCQQFCOMB-UHFFFAOYSA-N -1 0 344.823 3.788 20 0 EHADRM CCCc1ncncc1C(=O)Nc1ccc2[n-]c(=S)sc2c1 ZINC001193445234 1135136318 /nfs/dbraw/zinc/13/63/18/1135136318.db2.gz ARIZNJAELAUIMS-UHFFFAOYSA-N -1 0 330.438 3.580 20 0 EHADRM O=S(=O)(CC1CCC1)[N-][C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC001193534412 1135145030 /nfs/dbraw/zinc/14/50/30/1135145030.db2.gz JEWQYJYIWPQYLL-LBPRGKRZSA-N -1 0 341.782 3.663 20 0 EHADRM Cn1ccnc1S(=O)(=O)[N-]c1ccc(Cl)cc1-c1ccccc1 ZINC001193610361 1135158463 /nfs/dbraw/zinc/15/84/63/1135158463.db2.gz OULCXKLXPFIRJK-UHFFFAOYSA-N -1 0 347.827 3.541 20 0 EHADRM CCC[C@@H](C(=O)c1ccccc1)N(C)C(=O)c1ccc(F)c([O-])c1F ZINC001193784219 1135180535 /nfs/dbraw/zinc/18/05/35/1135180535.db2.gz KFCCBOZUDGCRIQ-HNNXBMFYSA-N -1 0 347.361 3.794 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2cnc(C)nc2Cl)c2ccccc12 ZINC001193832948 1135189996 /nfs/dbraw/zinc/18/99/96/1135189996.db2.gz GIWVEAYLBPNMBK-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccn3nccc3c2)c2ccccc12 ZINC001193834247 1135190835 /nfs/dbraw/zinc/19/08/35/1135190835.db2.gz MCHBQAAIRMGWSQ-UHFFFAOYSA-N -1 0 337.404 3.597 20 0 EHADRM Cc1ccc(CO)c(NS(=O)(=O)c2ccc(C)c3ccccc32)c1 ZINC001193861827 1135197667 /nfs/dbraw/zinc/19/76/67/1135197667.db2.gz ITEGCUGBYZDLEN-UHFFFAOYSA-N -1 0 341.432 3.750 20 0 EHADRM O=S(=O)(Cc1noc2ccccc21)[N-]c1cc2c(s1)CCCC2 ZINC001194059093 1135223353 /nfs/dbraw/zinc/22/33/53/1135223353.db2.gz RAPQVZDYFMPHLA-UHFFFAOYSA-N -1 0 348.449 3.710 20 0 EHADRM Cc1nc([N-]S(=O)(=O)c2ccc(-c3cccs3)cc2)cs1 ZINC001194145179 1135233291 /nfs/dbraw/zinc/23/32/91/1135233291.db2.gz CBJGDTISTNUEBQ-UHFFFAOYSA-N -1 0 336.463 3.981 20 0 EHADRM Cc1noc(-c2ccccc2C(=O)Nc2cc(Cl)c([O-])cc2F)n1 ZINC000805255516 1135253442 /nfs/dbraw/zinc/25/34/42/1135253442.db2.gz QTFOCRHGBARZBN-UHFFFAOYSA-N -1 0 347.733 3.795 20 0 EHADRM COc1ccc(C(F)(F)C(=O)Nc2cc(Cl)c([O-])cc2F)cc1 ZINC000805261521 1135254840 /nfs/dbraw/zinc/25/48/40/1135254840.db2.gz DHLUAONEWHFNPT-UHFFFAOYSA-N -1 0 345.704 3.924 20 0 EHADRM CC(C)(C)COC(=O)Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1 ZINC001194386938 1135263213 /nfs/dbraw/zinc/26/32/13/1135263213.db2.gz UWIJXHDROMSRMC-UHFFFAOYSA-N -1 0 337.397 3.681 20 0 EHADRM CCc1cnc([N-]S(=O)(=O)c2cccc3c(Cl)cccc32)cn1 ZINC001194411703 1135266611 /nfs/dbraw/zinc/26/66/11/1135266611.db2.gz ZBMPXGYECCSCCM-UHFFFAOYSA-N -1 0 347.827 3.646 20 0 EHADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1O ZINC001194639043 1135295787 /nfs/dbraw/zinc/29/57/87/1135295787.db2.gz PDBDNJDAFZZWSN-UHFFFAOYSA-N -1 0 345.342 3.829 20 0 EHADRM COc1cc(F)c(Cl)cc1[N-]S(=O)(=O)c1c(C)cccc1C ZINC001194643551 1135296319 /nfs/dbraw/zinc/29/63/19/1135296319.db2.gz ZLTQFXXDDPFVKB-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM COc1ncccc1S(=O)(=O)[N-]c1cccc(-c2cccs2)c1 ZINC001194720820 1135311912 /nfs/dbraw/zinc/31/19/12/1135311912.db2.gz WRKMADXSJDCBFC-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCCCC(C)(C)C)c(C)c1 ZINC000805842479 1135332834 /nfs/dbraw/zinc/33/28/34/1135332834.db2.gz ODKHSCUALRRZTF-UHFFFAOYSA-N -1 0 325.474 3.715 20 0 EHADRM CCc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc2nccnc21 ZINC001194986330 1135350116 /nfs/dbraw/zinc/35/01/16/1135350116.db2.gz RFXUTQLZVIRNRM-UHFFFAOYSA-N -1 0 347.827 3.646 20 0 EHADRM Cc1c(=O)[n-]n(-c2ccccc2)c1NC(=O)Oc1ccc(F)cc1 ZINC001195070095 1135363759 /nfs/dbraw/zinc/36/37/59/1135363759.db2.gz JLTVKWLERABOPQ-UHFFFAOYSA-N -1 0 327.315 3.636 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cnc2ccc(O)cc2c1 ZINC001195277460 1135404198 /nfs/dbraw/zinc/40/41/98/1135404198.db2.gz IBLLASMRUWCODP-UHFFFAOYSA-N -1 0 348.811 3.703 20 0 EHADRM CN(CCCc1ccccc1)C(=O)c1c([O-])c(F)c(F)c(F)c1F ZINC001195295356 1135408192 /nfs/dbraw/zinc/40/81/92/1135408192.db2.gz UALIDPOQTKHCOH-UHFFFAOYSA-N -1 0 341.304 3.653 20 0 EHADRM CC(=O)c1ccc(NC(=O)c2c([O-])c(F)c(F)c(F)c2F)c(F)c1 ZINC001195295850 1135408379 /nfs/dbraw/zinc/40/83/79/1135408379.db2.gz NNMVOTHKRDOZLC-UHFFFAOYSA-N -1 0 345.223 3.543 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cccc(-n2ccnc2)c1 ZINC001195308746 1135411245 /nfs/dbraw/zinc/41/12/45/1135411245.db2.gz SQJYCVLDVYGRFT-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM Cc1cc2c([N-]S(=O)(=O)c3c(C)cccc3Cl)cccc2nn1 ZINC001195307908 1135411288 /nfs/dbraw/zinc/41/12/88/1135411288.db2.gz BHAHXUMQTJRHLS-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM Cc1cccc(C2(NC(=O)c3c([O-])c(F)c(F)c(F)c3F)CC2)c1 ZINC001195313145 1135411729 /nfs/dbraw/zinc/41/17/29/1135411729.db2.gz ZOERYKLNQVDQOK-UHFFFAOYSA-N -1 0 339.288 3.676 20 0 EHADRM CCOC(=O)NC(=S)Nc1cc(F)ccc1OC1CCCCC1 ZINC001195493160 1135433044 /nfs/dbraw/zinc/43/30/44/1135433044.db2.gz YDAHNRSMFNEWSH-UHFFFAOYSA-N -1 0 340.420 3.980 20 0 EHADRM O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1cccc(Cl)c1[O-] ZINC000775661525 1135438294 /nfs/dbraw/zinc/43/82/94/1135438294.db2.gz LYUCTVYSCDXYOM-AWEZNQCLSA-N -1 0 347.798 3.856 20 0 EHADRM CC(C)Nc1nc(C(=O)Nc2cccc(C(F)(F)F)c2O)cs1 ZINC001195689055 1135451518 /nfs/dbraw/zinc/45/15/18/1135451518.db2.gz WGBVAXZERHADAU-UHFFFAOYSA-N -1 0 345.346 3.940 20 0 EHADRM CN(c1ccccc1)C1CCN(C(=O)c2cccc(Cl)c2[O-])CC1 ZINC000775669405 1135455880 /nfs/dbraw/zinc/45/58/80/1135455880.db2.gz YJTNPVROUOJQAF-UHFFFAOYSA-N -1 0 344.842 3.787 20 0 EHADRM Cc1ccc2c(cccc2[N-]S(=O)(=O)c2ccc(Cl)cn2)c1 ZINC001196250450 1135535221 /nfs/dbraw/zinc/53/52/21/1135535221.db2.gz CKHGDVAUSMZKCY-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM O=C(Nc1ccnn1Cc1ccc(F)cc1)c1cccc(Cl)c1[O-] ZINC000775713067 1135553064 /nfs/dbraw/zinc/55/30/64/1135553064.db2.gz FQPNONSMSCPEFG-UHFFFAOYSA-N -1 0 345.761 3.682 20 0 EHADRM C[C@@H]1C(=O)CCN(C(=O)c2cc(Cl)c(F)cc2[O-])C12CCCC2 ZINC001196465799 1135564078 /nfs/dbraw/zinc/56/40/78/1135564078.db2.gz CYXWSINNMSEGCT-SNVBAGLBSA-N -1 0 339.794 3.549 20 0 EHADRM CC(C)(NC(=O)c1cc(Cl)c(F)cc1[O-])c1cc(Cl)ccn1 ZINC001196483993 1135567199 /nfs/dbraw/zinc/56/71/99/1135567199.db2.gz OMZWIYGZEHKYSG-UHFFFAOYSA-N -1 0 343.185 3.898 20 0 EHADRM Cc1ccc(NC(=O)c2cccc(Cl)c2[O-])cc1C(=O)NC(C)C ZINC000775727816 1135585583 /nfs/dbraw/zinc/58/55/83/1135585583.db2.gz YXBDYNVSMGFRBR-UHFFFAOYSA-N -1 0 346.814 3.745 20 0 EHADRM COc1cc(C)c(S(=O)(=O)Nc2cncc(C3CCC3)c2)c(C)c1 ZINC001196857151 1135623717 /nfs/dbraw/zinc/62/37/17/1135623717.db2.gz BCTRFGJXDNFXQY-UHFFFAOYSA-N -1 0 346.452 3.775 20 0 EHADRM O=C([O-])c1ccc(NC(=S)N2CC[C@@H](c3ccc(F)cc3)C2)cc1 ZINC001197097121 1135645760 /nfs/dbraw/zinc/64/57/60/1135645760.db2.gz YTJIVJQQYOSUAQ-CQSZACIVSA-N -1 0 344.411 3.710 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2ccc(-n3cccc3)cc2)cc1 ZINC001197069695 1135646971 /nfs/dbraw/zinc/64/69/71/1135646971.db2.gz NVJDWOUOJIWNTK-UHFFFAOYSA-N -1 0 337.404 3.984 20 0 EHADRM O=C([O-])c1ccc(NC(=S)Nc2cnc3ccc(F)cc3c2)cc1 ZINC001197083987 1135648267 /nfs/dbraw/zinc/64/82/67/1135648267.db2.gz RLJBMDLNGMWUBI-UHFFFAOYSA-N -1 0 341.367 3.881 20 0 EHADRM CCCOc1ccc(NC(=S)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001197106693 1135650010 /nfs/dbraw/zinc/65/00/10/1135650010.db2.gz FBUGQZDNJUOZHR-UHFFFAOYSA-N -1 0 330.409 3.983 20 0 EHADRM COc1cccc(CS(=O)(=O)Nc2ccc(Cl)cc2[S-])c1 ZINC001197382876 1135682656 /nfs/dbraw/zinc/68/26/56/1135682656.db2.gz SJBWZUYFVQPXBF-UHFFFAOYSA-N -1 0 343.857 3.579 20 0 EHADRM CCC(CC)(NC(=O)/C=C(/C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000808519238 1135685572 /nfs/dbraw/zinc/68/55/72/1135685572.db2.gz XVZICSWAQZDGNV-LUAWRHEFSA-N -1 0 343.345 3.868 20 0 EHADRM Cc1cc(C(=O)Nc2ccccc2[S-])n(-c2ccccc2F)n1 ZINC001197379393 1135687680 /nfs/dbraw/zinc/68/76/80/1135687680.db2.gz IDUZDWRYLNEOER-UHFFFAOYSA-N -1 0 327.384 3.861 20 0 EHADRM Cc1cc2cc(NS(=O)(=O)Cc3c(F)cccc3F)ccc2o1 ZINC001197603377 1135713758 /nfs/dbraw/zinc/71/37/58/1135713758.db2.gz QNFCBUMJOJBPDH-UHFFFAOYSA-N -1 0 337.347 3.961 20 0 EHADRM CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(C)cc1)c1ccccc1 ZINC000809064894 1135770146 /nfs/dbraw/zinc/77/01/46/1135770146.db2.gz PVUGAWOFMCMMAC-GOSISDBHSA-N -1 0 345.464 3.525 20 0 EHADRM O=S(=O)([N-]c1ccc(-c2ccccn2)cc1)c1cccc(Cl)n1 ZINC001198234845 1135789624 /nfs/dbraw/zinc/78/96/24/1135789624.db2.gz RCDUKWUNJBIMKH-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM Cc1cc(F)c([N-]S(=O)(=O)c2cccc(Cl)n2)cc1Cl ZINC001198233722 1135789885 /nfs/dbraw/zinc/78/98/85/1135789885.db2.gz RTWBHGNGINPDGS-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2C)cn1 ZINC001198305894 1135798516 /nfs/dbraw/zinc/79/85/16/1135798516.db2.gz XFIGITDPWXLVFX-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cccc(F)c3)c2)cn1 ZINC001198315515 1135799918 /nfs/dbraw/zinc/79/99/18/1135799918.db2.gz YWKLVUNYLRNXBV-UHFFFAOYSA-N -1 0 342.395 3.997 20 0 EHADRM O=C([N-][C@H](c1cc(F)cc(Br)c1)C1CC1)C(F)(F)F ZINC000775958405 1135903403 /nfs/dbraw/zinc/90/34/03/1135903403.db2.gz GKCHUDRIWJVJGY-JTQLQIEISA-N -1 0 340.114 3.718 20 0 EHADRM COc1cccc2ncc(Nc3cc(F)c(C(=O)[O-])c(F)c3)cc21 ZINC001203322234 1135911586 /nfs/dbraw/zinc/91/15/86/1135911586.db2.gz ZBXJBXXSCQMDGZ-UHFFFAOYSA-N -1 0 330.290 3.963 20 0 EHADRM CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)c1cccc(Cl)c1[O-] ZINC000776011393 1135920026 /nfs/dbraw/zinc/92/00/26/1135920026.db2.gz VBHIBUBUIVOMSJ-MGPLVRAMSA-N -1 0 337.778 3.691 20 0 EHADRM CCC/C(C)=C\C(=O)Nc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC001132103760 1135927547 /nfs/dbraw/zinc/92/75/47/1135927547.db2.gz ATLWFUJXLVJHGM-YHYXMXQVSA-N -1 0 346.324 3.689 20 0 EHADRM CC(C)Oc1cc(-c2c(Cl)cc(C(=O)[O-])cc2Cl)ncn1 ZINC001244513927 1135942542 /nfs/dbraw/zinc/94/25/42/1135942542.db2.gz PUZWITJPOUYPSN-UHFFFAOYSA-N -1 0 327.167 3.936 20 0 EHADRM Cc1cc(C)cc(-c2nnc(NC([O-])=NOC/C=C\Cl)s2)c1 ZINC000810206476 1135942824 /nfs/dbraw/zinc/94/28/24/1135942824.db2.gz OLXSURGTSMXFON-ARJAWSKDSA-N -1 0 338.820 3.628 20 0 EHADRM Cc1cc(C)c([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2F)cn1 ZINC001201251361 1135999156 /nfs/dbraw/zinc/99/91/56/1135999156.db2.gz FPOFZEAIMOCVNU-UHFFFAOYSA-N -1 0 349.214 3.945 20 0 EHADRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1ccccc1C1CC1 ZINC001201728933 1136056471 /nfs/dbraw/zinc/05/64/71/1136056471.db2.gz QZXGOUNMIVJTIV-UHFFFAOYSA-N -1 0 328.846 3.783 20 0 EHADRM O=C(Nc1nc(-c2cccnc2)cs1)c1cccc(Cl)c1[O-] ZINC000776222296 1136070747 /nfs/dbraw/zinc/07/07/47/1136070747.db2.gz FCIZXRKBKIKCDA-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM O=C(Nc1ccccc1)Nc1ccc(F)c(Br)c1[O-] ZINC001201956557 1136078260 /nfs/dbraw/zinc/07/82/60/1136078260.db2.gz LLXPAKOYDZQJHX-UHFFFAOYSA-N -1 0 325.137 3.938 20 0 EHADRM C[C@@H](NC(=O)c1c([O-])cc(Cl)cc1Cl)[C@H](O)c1ccccc1 ZINC000811538719 1136104851 /nfs/dbraw/zinc/10/48/51/1136104851.db2.gz SIHCNJZWJMNCRC-PSLIRLAXSA-N -1 0 340.206 3.551 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)Nc2ccc(OC(F)F)cc2)c1 ZINC000811812665 1136139981 /nfs/dbraw/zinc/13/99/81/1136139981.db2.gz WDLKHIKELUWHLU-UHFFFAOYSA-N -1 0 341.697 3.892 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)Nc2cccc(OC(F)F)c2)c1 ZINC000811814271 1136144694 /nfs/dbraw/zinc/14/46/94/1136144694.db2.gz HHRMDILIIGERAT-UHFFFAOYSA-N -1 0 341.697 3.892 20 0 EHADRM O=C([N-]CCOCc1ccc(Cl)cc1Cl)C(F)(F)C(F)F ZINC000776353269 1136163207 /nfs/dbraw/zinc/16/32/07/1136163207.db2.gz LBDJDYGUFKJUFX-UHFFFAOYSA-N -1 0 348.123 3.527 20 0 EHADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1cccc(C2CCC2)c1 ZINC000812662996 1136230551 /nfs/dbraw/zinc/23/05/51/1136230551.db2.gz SSHLZIQBXZXRBC-AWEZNQCLSA-N -1 0 342.361 3.596 20 0 EHADRM O=C(c1cccc(Cl)c1[O-])N1CCn2c(cc3ccccc32)C1 ZINC000812758542 1136244318 /nfs/dbraw/zinc/24/43/18/1136244318.db2.gz FZUXEGFGJQTSFY-UHFFFAOYSA-N -1 0 326.783 3.656 20 0 EHADRM CCOC(=O)C[C@H]1CC[C@H](Nc2ccccc2/C=C/C(=O)[O-])CC1 ZINC001170702464 1136313504 /nfs/dbraw/zinc/31/35/04/1136313504.db2.gz RSNHUSXRBIHUFI-CZLHVJRPSA-N -1 0 331.412 3.708 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@]1(C)CC=C(C)CC1 ZINC000851043444 1136331530 /nfs/dbraw/zinc/33/15/30/1136331530.db2.gz NVXRWCVMNPNTQB-AEFFLSMTSA-N -1 0 335.469 3.720 20 0 EHADRM O=S(=O)(/C=C/c1ccc(F)cc1)[N-]c1nc2ccsc2s1 ZINC000747860469 1136346105 /nfs/dbraw/zinc/34/61/05/1136346105.db2.gz YKTYARIHGPHPIH-SOFGYWHQSA-N -1 0 340.426 3.910 20 0 EHADRM CC(C)CCCCCC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000747875310 1136363888 /nfs/dbraw/zinc/36/38/88/1136363888.db2.gz XPLAMCSKFUNCBJ-UHFFFAOYSA-N -1 0 335.473 3.962 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2ccc(/C=C\C(=O)[O-])o2)C1 ZINC000851594009 1136394810 /nfs/dbraw/zinc/39/48/10/1136394810.db2.gz FTSWCJJUXVZBLC-RLKNZVFVSA-N -1 0 339.391 3.704 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)c1ccc(/C=C/C(=O)[O-])o1)C1CC1 ZINC000851593651 1136395005 /nfs/dbraw/zinc/39/50/05/1136395005.db2.gz BRIKWQVFNQASKE-SXAWMYDMSA-N -1 0 325.364 3.567 20 0 EHADRM O=C([O-])/C=C/c1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)o1 ZINC000851596847 1136395243 /nfs/dbraw/zinc/39/52/43/1136395243.db2.gz XZCZWAABXYXDFX-ZRDIBKRKSA-N -1 0 341.363 3.951 20 0 EHADRM CCN(C(=O)c1ccc(/C=C/C(=O)[O-])o1)[C@H](C)c1cccc(OC)c1 ZINC000851594842 1136395247 /nfs/dbraw/zinc/39/52/47/1136395247.db2.gz MERMNLYLGCGRKP-YGNAEDSMSA-N -1 0 343.379 3.609 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851597207 1136395263 /nfs/dbraw/zinc/39/52/63/1136395263.db2.gz ZYTDYZZTNMAMTK-BRLPQQTGSA-N -1 0 343.379 3.722 20 0 EHADRM CCC[C@H](CCc1ccccc1)NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851595501 1136395345 /nfs/dbraw/zinc/39/53/45/1136395345.db2.gz OFTOYVSDXHHPQK-OBEJXRGXSA-N -1 0 341.407 3.909 20 0 EHADRM Cc1ccccc1C1(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CCC1 ZINC000851602217 1136395787 /nfs/dbraw/zinc/39/57/87/1136395787.db2.gz YTPRBDJBYFKFGI-UHFFFAOYSA-N -1 0 327.355 3.893 20 0 EHADRM C/C(=C/C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21)c1cccc(F)c1 ZINC000851619240 1136396187 /nfs/dbraw/zinc/39/61/87/1136396187.db2.gz RZZWFYRIPXDXKP-KTRNLPGUSA-N -1 0 345.414 3.721 20 0 EHADRM C/C(=C/C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000851617985 1136396263 /nfs/dbraw/zinc/39/62/63/1136396263.db2.gz GZACOQKRCWXLGM-JRCBWWJBSA-N -1 0 327.424 3.582 20 0 EHADRM CCCN(C)C(=O)N[C@@H](CC(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000776595963 1136457641 /nfs/dbraw/zinc/45/76/41/1136457641.db2.gz IZUYNTBJLQSVBU-LBPRGKRZSA-N -1 0 333.215 3.561 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2cnccc2Oc2ccccc2)CC1 ZINC000852950761 1136494407 /nfs/dbraw/zinc/49/44/07/1136494407.db2.gz KOCWDDPXCWHRHH-UHFFFAOYSA-N -1 0 340.379 3.703 20 0 EHADRM O=C([O-])Cn1ccc2cc(NC(=O)/C=C\C3CCCCC3)ccc21 ZINC000776637762 1136500172 /nfs/dbraw/zinc/50/01/72/1136500172.db2.gz BLRJHVYDOWWPDY-TWGQIWQCSA-N -1 0 326.396 3.801 20 0 EHADRM CC(C)(C(=O)[N-]OCc1cc2c(c(Cl)c1)OCO2)c1ccccc1 ZINC000111190845 1136520420 /nfs/dbraw/zinc/52/04/20/1136520420.db2.gz WOGZRIQRSDWIKS-UHFFFAOYSA-N -1 0 347.798 3.594 20 0 EHADRM C/C(=C\C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1F)C(C)(C)C ZINC000776655585 1136526304 /nfs/dbraw/zinc/52/63/04/1136526304.db2.gz XQKPTOLEIFEKSD-RNVIBTMRSA-N -1 0 325.355 3.589 20 0 EHADRM CC(C)C[C@H](C)CC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000776663140 1136531038 /nfs/dbraw/zinc/53/10/38/1136531038.db2.gz XIMVOSKDBOBNPA-XHDPSFHLSA-N -1 0 327.371 3.669 20 0 EHADRM COc1cc2c(cc1F)CC[C@@H]2N=c1[n-]nc(-c2ccccc2)s1 ZINC000509476315 1136572143 /nfs/dbraw/zinc/57/21/43/1136572143.db2.gz DEGKTTWHLKNWFE-HNNXBMFYSA-N -1 0 341.411 3.874 20 0 EHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCC[C@H](c2ccncc2)C1 ZINC000854455071 1136617661 /nfs/dbraw/zinc/61/76/61/1136617661.db2.gz NPAFXVQTAVKLKT-AWEZNQCLSA-N -1 0 339.420 3.531 20 0 EHADRM CCCCCCO[C@H](C)C(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC000854644399 1136633823 /nfs/dbraw/zinc/63/38/23/1136633823.db2.gz NXFPFKPKUTUWOG-CYBMUJFWSA-N -1 0 331.416 3.706 20 0 EHADRM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)/C(F)=C\C1CCCCC1 ZINC000815955759 1136653409 /nfs/dbraw/zinc/65/34/09/1136653409.db2.gz JHLUXJHNRYFDHL-MLDYKZIASA-N -1 0 339.432 3.627 20 0 EHADRM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)/C(F)=C\C1CCCCC1 ZINC000815955758 1136653486 /nfs/dbraw/zinc/65/34/86/1136653486.db2.gz JHLUXJHNRYFDHL-HKJJFUAXSA-N -1 0 339.432 3.627 20 0 EHADRM C[C@]1(CCNC(=O)c2ccc3oc(=S)[n-]c3c2)C[C@@]1(F)Cl ZINC000855019289 1136661309 /nfs/dbraw/zinc/66/13/09/1136661309.db2.gz XJLOLODKNRRNHI-KBPBESRZSA-N -1 0 328.796 3.551 20 0 EHADRM CC(C)CCc1nnc(NC(=O)c2cnc(Cl)c(F)c2)s1 ZINC000855189448 1136675009 /nfs/dbraw/zinc/67/50/09/1136675009.db2.gz DBPCSGFCABWJEG-UHFFFAOYSA-N -1 0 328.800 3.567 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H]1CCCC1(C)C ZINC000816109998 1136677170 /nfs/dbraw/zinc/67/71/70/1136677170.db2.gz QKBNKCJCFXJWLV-HOTGVXAUSA-N -1 0 337.485 3.656 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H](C)CC(C)(C)C ZINC000816107520 1136677288 /nfs/dbraw/zinc/67/72/88/1136677288.db2.gz LDAUFOHBOMRONF-ZBFHGGJFSA-N -1 0 339.501 3.902 20 0 EHADRM CCC(C)(CC)C(=O)[N-]S(=O)(=O)[C@H](c1ccccc1)C(C)C ZINC000816112798 1136677508 /nfs/dbraw/zinc/67/75/08/1136677508.db2.gz CMNMRYBVMZCWOM-HNNXBMFYSA-N -1 0 325.474 3.656 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)/C=C\c1ccsc1 ZINC000816113399 1136678181 /nfs/dbraw/zinc/67/81/81/1136678181.db2.gz RSQQPLSSMAHUIL-JJEJIETFSA-N -1 0 349.477 3.605 20 0 EHADRM C[C@H](NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])c1ccccc1 ZINC001135440908 1136689830 /nfs/dbraw/zinc/68/98/30/1136689830.db2.gz KPNCAPAJNPXWQJ-LBPRGKRZSA-N -1 0 341.798 3.722 20 0 EHADRM Cc1cccc2sc(NC(=O)c3nc[nH]c3C(F)(F)F)nc21 ZINC001135683788 1136751166 /nfs/dbraw/zinc/75/11/66/1136751166.db2.gz IXWIXKQJCISILK-UHFFFAOYSA-N -1 0 326.303 3.599 20 0 EHADRM C[C@@H](NC(=O)c1ccc2oc(=S)[n-]c2c1)c1ccc(F)c(F)c1 ZINC000816813210 1136757046 /nfs/dbraw/zinc/75/70/46/1136757046.db2.gz KDMKMLODYIHBMV-MRVPVSSYSA-N -1 0 334.347 3.886 20 0 EHADRM CN(CCCOc1ccccc1)C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000816862676 1136759368 /nfs/dbraw/zinc/75/93/68/1136759368.db2.gz LZWCPLBCUZHVOI-UHFFFAOYSA-N -1 0 342.420 3.658 20 0 EHADRM O=C(Nc1ccnn1Cc1ccccc1)c1cc(Cl)ccc1[O-] ZINC001135797839 1136773352 /nfs/dbraw/zinc/77/33/52/1136773352.db2.gz UOLHKEXVOASZAW-UHFFFAOYSA-N -1 0 327.771 3.543 20 0 EHADRM O=C(NC[C@H](O)c1ccc(Cl)cc1)c1cc2ccccc2cc1O ZINC000817091288 1136778689 /nfs/dbraw/zinc/77/86/89/1136778689.db2.gz QSILQWBVVBTOEC-SFHVURJKSA-N -1 0 341.794 3.662 20 0 EHADRM Cc1cc(NC(=O)c2ncccc2[O-])ccc1NC(=O)OC(C)(C)C ZINC000856373199 1136782151 /nfs/dbraw/zinc/78/21/51/1136782151.db2.gz VABJGIQUQMLDFG-UHFFFAOYSA-N -1 0 343.383 3.695 20 0 EHADRM Cc1cc([N-]S(=O)(=O)/C=C\c2ccccc2Cl)nn1C(C)C ZINC000817357885 1136798537 /nfs/dbraw/zinc/79/85/37/1136798537.db2.gz OOCXORMMIQJSEL-HJWRWDBZSA-N -1 0 339.848 3.838 20 0 EHADRM COc1ccc2cc(NC(=O)CC3(CC(=O)[O-])CCC3)ccc2c1 ZINC000817571761 1136821112 /nfs/dbraw/zinc/82/11/12/1136821112.db2.gz JIZCKCVVZDSSQV-UHFFFAOYSA-N -1 0 327.380 3.822 20 0 EHADRM O=C(Nc1cccc2cnccc21)c1c([O-])cnc2c(F)cccc21 ZINC001136017647 1136840729 /nfs/dbraw/zinc/84/07/29/1136840729.db2.gz CKQTZMCNORYKNG-UHFFFAOYSA-N -1 0 333.322 3.880 20 0 EHADRM CCCCCC[C@](C)(NC(=O)CC(C)(C)C(F)(F)F)C(=O)[O-] ZINC000828145299 1136865020 /nfs/dbraw/zinc/86/50/20/1136865020.db2.gz BEGSTCOAGHHKST-AWEZNQCLSA-N -1 0 325.371 3.895 20 0 EHADRM Cc1noc(C)c1[C@H](C)NC(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC000819993166 1136971519 /nfs/dbraw/zinc/97/15/19/1136971519.db2.gz UQDOGMWFYWEAMQ-ZETCQYMHSA-N -1 0 330.281 3.539 20 0 EHADRM O=C(c1nn(-c2cccc(Cl)c2)cc1[O-])N1CCCCCCC1 ZINC000820195947 1136982542 /nfs/dbraw/zinc/98/25/42/1136982542.db2.gz WVOJMZQEIFRDER-UHFFFAOYSA-N -1 0 333.819 3.638 20 0 EHADRM CCCc1n[nH]c(=S)n1CC(=O)N1CCC[C@H](C(C)(C)C)CC1 ZINC000116221450 1136983006 /nfs/dbraw/zinc/98/30/06/1136983006.db2.gz DGRWFBZJTJFNPG-ZDUSSCGKSA-N -1 0 338.521 3.568 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)n2)cc1C ZINC000116601104 1137007998 /nfs/dbraw/zinc/00/79/98/1137007998.db2.gz UBHSIKVCAXRVEN-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM CC(C)c1nc(/C=C\c2ccc(C(F)(F)F)[nH]2)ncc1C(=O)[O-] ZINC000821038325 1137014931 /nfs/dbraw/zinc/01/49/31/1137014931.db2.gz IDBHRXSSXPYFOQ-XQRVVYSFSA-N -1 0 325.290 3.816 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N(C)Cc2cc(C)ccc2C)s1 ZINC000429546550 1137024209 /nfs/dbraw/zinc/02/42/09/1137024209.db2.gz GTTWVIFSWYKPES-UHFFFAOYSA-N -1 0 332.473 3.583 20 0 EHADRM Brc1sccc1CN=c1nc(-c2ccccc2)o[n-]1 ZINC000509505424 1137028755 /nfs/dbraw/zinc/02/87/55/1137028755.db2.gz DYZXBMQJPQMZNO-UHFFFAOYSA-N -1 0 336.214 3.595 20 0 EHADRM CCCC[C@@H](CCC)NC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC000859888511 1137036002 /nfs/dbraw/zinc/03/60/02/1137036002.db2.gz FJZBRCKHJTVHIX-LLVKDONJSA-N -1 0 348.365 3.547 20 0 EHADRM Cc1ncc(NC(=O)c2ccc(Cl)c([O-])c2)cc1Br ZINC001159952682 1137038273 /nfs/dbraw/zinc/03/82/73/1137038273.db2.gz UKAOAYFKGUEDNU-UHFFFAOYSA-N -1 0 341.592 3.764 20 0 EHADRM CCC1(C)CCN(C(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])CC1 ZINC001136499914 1137038470 /nfs/dbraw/zinc/03/84/70/1137038470.db2.gz ULCGAJRJYABHEU-UHFFFAOYSA-N -1 0 347.846 3.884 20 0 EHADRM COc1cccc([C@H]2C[C@H](N(C)C(=O)c3cc(F)cc(F)c3[O-])C2)c1 ZINC000822063524 1137048384 /nfs/dbraw/zinc/04/83/84/1137048384.db2.gz FTNZUMLBCUSGLT-MQMHXKEQSA-N -1 0 347.361 3.697 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)COc1cccc2ccccc21 ZINC000013431860 1137082172 /nfs/dbraw/zinc/08/21/72/1137082172.db2.gz CQLPJRPYIRCADP-UHFFFAOYSA-N -1 0 335.359 3.864 20 0 EHADRM C[C@@H]1CCc2c(C(=O)N3CCc4cc(C(=O)[O-])ccc43)csc2C1 ZINC000013448423 1137085573 /nfs/dbraw/zinc/08/55/73/1137085573.db2.gz KDFFVTAIATYCFE-LLVKDONJSA-N -1 0 341.432 3.774 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl ZINC000823333688 1137095547 /nfs/dbraw/zinc/09/55/47/1137095547.db2.gz KWKHGYFHLLPGIJ-CTXMHQRVSA-N -1 0 349.736 3.597 20 0 EHADRM O=C([N-]OC1CCCC1)C(=O)Nc1cccc(C2CCCCC2)c1 ZINC000861797608 1137120969 /nfs/dbraw/zinc/12/09/69/1137120969.db2.gz WDUNFDJJUNSWNB-UHFFFAOYSA-N -1 0 330.428 3.663 20 0 EHADRM O=C(N[C@@H]1CCc2ccc(Cl)cc21)C(F)(F)c1nccs1 ZINC000863635391 1137195667 /nfs/dbraw/zinc/19/56/67/1137195667.db2.gz JMTXTVPQWDEGIT-LLVKDONJSA-N -1 0 328.771 3.692 20 0 EHADRM COc1cc(/C=C/C(=O)Nc2ccccc2[S-])cc(OC)c1OC ZINC001143769810 1137197130 /nfs/dbraw/zinc/19/71/30/1137197130.db2.gz NPLIPPAEMWFCPH-CMDGGOBGSA-N -1 0 345.420 3.653 20 0 EHADRM Cc1csc(CCCC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)n1 ZINC000844154968 1137200012 /nfs/dbraw/zinc/20/00/12/1137200012.db2.gz JOEZYCZBQAAOCD-UHFFFAOYSA-N -1 0 338.816 3.765 20 0 EHADRM CCCCCN(C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)C(C)C ZINC000863941222 1137208517 /nfs/dbraw/zinc/20/85/17/1137208517.db2.gz BDIULSAJWBPIGE-UHFFFAOYSA-N -1 0 333.457 3.665 20 0 EHADRM O=Cc1cc(C(=O)[O-])cc(-c2cc(F)ccc2OC[C@H]2CCCO2)c1 ZINC000863973376 1137209679 /nfs/dbraw/zinc/20/96/79/1137209679.db2.gz MAIXFLWEWYMLEO-MRXNPFEDSA-N -1 0 344.338 3.561 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)/C=C/c1cc(C(=O)[O-])co1)C1CC1 ZINC000864108553 1137215485 /nfs/dbraw/zinc/21/54/85/1137215485.db2.gz DGVUSAZDZTWIHQ-BLGFXRMMSA-N -1 0 325.364 3.567 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN(C(=O)/C=C/c2cc(C(=O)[O-])co2)C1 ZINC000864110236 1137215524 /nfs/dbraw/zinc/21/55/24/1137215524.db2.gz NOOZNTQWFROWRY-NDDJGDGRSA-N -1 0 339.391 3.571 20 0 EHADRM COc1ccccc1-c1ccc(C(=O)N([C@H](C)C(=O)[O-])C2CC2)s1 ZINC000864116242 1137215778 /nfs/dbraw/zinc/21/57/78/1137215778.db2.gz OGXARXPIFZWDPE-LLVKDONJSA-N -1 0 345.420 3.501 20 0 EHADRM C[C@@H](Cc1cncc2ccccc21)C(=O)NCCCCCCC(=O)[O-] ZINC000864120433 1137216040 /nfs/dbraw/zinc/21/60/40/1137216040.db2.gz JAIOLPPCQRLIBO-HNNXBMFYSA-N -1 0 342.439 3.565 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2C[C@H]2C(C)(C)C)cc1 ZINC000864127062 1137216261 /nfs/dbraw/zinc/21/62/61/1137216261.db2.gz YGSUBYZPWOBRSD-RBSFLKMASA-N -1 0 335.469 3.723 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000864132683 1137216673 /nfs/dbraw/zinc/21/66/73/1137216673.db2.gz VDBDGALETKGTNT-SJORKVTESA-N -1 0 335.419 3.861 20 0 EHADRM CC1(C)[C@@H](c2ccccc2)CCN1C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000864148755 1137217094 /nfs/dbraw/zinc/21/70/94/1137217094.db2.gz GCIGWNGOCMRROI-KBOKABMXSA-N -1 0 339.391 3.786 20 0 EHADRM CC1(C)[C@@H](c2ccccc2)CCN1C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000864150327 1137217234 /nfs/dbraw/zinc/21/72/34/1137217234.db2.gz UKEBYWWZKRUTII-HGPCXVNDSA-N -1 0 339.391 3.786 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)/C=C\c1csc(C(F)(F)F)c1 ZINC000864155257 1137217390 /nfs/dbraw/zinc/21/73/90/1137217390.db2.gz KAQAVMZSGCWJPJ-BGQVOSMTSA-N -1 0 347.358 3.540 20 0 EHADRM C/C(=C/C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21)c1ccccc1Cl ZINC000864175381 1137217887 /nfs/dbraw/zinc/21/78/87/1137217887.db2.gz JYFQVCGWYWDAON-YURAVVLCSA-N -1 0 347.842 3.845 20 0 EHADRM CC(C)C[C@H](C(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000864211491 1137219077 /nfs/dbraw/zinc/21/90/77/1137219077.db2.gz REWQZCVKZZXRRX-NQUFMGSDSA-N -1 0 349.858 3.839 20 0 EHADRM CC1(C)[C@@H](c2ccccc2F)CCN1C(=O)c1cccc(C(=O)[O-])c1 ZINC000864218000 1137219107 /nfs/dbraw/zinc/21/91/07/1137219107.db2.gz QZTLRTWKCLKZPI-MRXNPFEDSA-N -1 0 341.382 3.932 20 0 EHADRM CC[C@H](C(=O)N[C@H](CC(=O)[O-])c1cccc(C)c1)c1ccccc1 ZINC000864227706 1137219422 /nfs/dbraw/zinc/21/94/22/1137219422.db2.gz FUNWXZRCCBQZGW-ZWKOTPCHSA-N -1 0 325.408 3.821 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)CCc2cccc(F)c2F)c1 ZINC000864228657 1137219450 /nfs/dbraw/zinc/21/94/50/1137219450.db2.gz FBPPMSYMOBOETI-INIZCTEOSA-N -1 0 347.361 3.538 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)C(=Cc2ccccc2)OC)c1 ZINC000794624854 1137221529 /nfs/dbraw/zinc/22/15/29/1137221529.db2.gz QKYIUYUVIBJTIL-WQRHYEAKSA-N -1 0 325.364 3.611 20 0 EHADRM CC(C)c1nn(C)c(Cl)c1CNCc1cccc(CCC(=O)[O-])c1 ZINC000864517242 1137231659 /nfs/dbraw/zinc/23/16/59/1137231659.db2.gz AZECUMKAXONPGD-UHFFFAOYSA-N -1 0 349.862 3.504 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)Nc1ccc(F)c(C(F)F)c1)C1CC1 ZINC000864585330 1137235711 /nfs/dbraw/zinc/23/57/11/1137235711.db2.gz XOUSMEACJJGBKT-GFCCVEGCSA-N -1 0 330.306 3.623 20 0 EHADRM O=C(Nc1ccc(O)c(Cl)c1)c1nc(Br)cs1 ZINC000120193672 1137241186 /nfs/dbraw/zinc/24/11/86/1137241186.db2.gz HYPQXSRRSMYWMK-UHFFFAOYSA-N -1 0 333.594 3.517 20 0 EHADRM CCCO[C@@H](C(=O)[N-]OCc1cccc(C)n1)c1ccc(F)cc1C ZINC000825565840 1137264595 /nfs/dbraw/zinc/26/45/95/1137264595.db2.gz LNBCWCVYDUTZSU-GOSISDBHSA-N -1 0 346.402 3.553 20 0 EHADRM Cc1ncc(S(=O)(=O)[N-]c2ccc(OCCC(C)C)cc2)s1 ZINC000339072737 1137275869 /nfs/dbraw/zinc/27/58/69/1137275869.db2.gz RXWNFKKMKAIURZ-UHFFFAOYSA-N -1 0 340.470 3.677 20 0 EHADRM CC[C@@H](C)CONC(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000794854267 1137299083 /nfs/dbraw/zinc/29/90/83/1137299083.db2.gz QOHDSQMGCUSJKT-SNVBAGLBSA-N -1 0 339.233 3.567 20 0 EHADRM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)/C=C\C1CCCCCC1 ZINC000846117226 1137333971 /nfs/dbraw/zinc/33/39/71/1137333971.db2.gz BGBRKBVTGIBGLD-RAXLEYEMSA-N -1 0 345.439 3.635 20 0 EHADRM Cc1noc(C)c1CN(C)[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000846237760 1137342628 /nfs/dbraw/zinc/34/26/28/1137342628.db2.gz JVJKXQFUJSNIDZ-AWEZNQCLSA-N -1 0 342.317 3.568 20 0 EHADRM O=C(c1s[n-]c(=O)c1Cl)N1CCC(C2CCCCC2)CC1 ZINC000846469928 1137352614 /nfs/dbraw/zinc/35/26/14/1137352614.db2.gz KIXKQTIOJLPNNT-UHFFFAOYSA-N -1 0 328.865 3.935 20 0 EHADRM C[C@@H](NC(=O)[C@@]1(C(=O)[O-])CC=CCC1)c1ccccc1C(F)(F)F ZINC000846707756 1137363243 /nfs/dbraw/zinc/36/32/43/1137363243.db2.gz YIDWDRRJFCBRJB-BDJLRTHQSA-N -1 0 341.329 3.694 20 0 EHADRM CN(C(=O)c1cc(Br)cc(F)c1[O-])C1(C)CCCC1 ZINC000867896345 1137389042 /nfs/dbraw/zinc/38/90/42/1137389042.db2.gz OWPFANHYSLNSDV-UHFFFAOYSA-N -1 0 330.197 3.699 20 0 EHADRM CC(=O)c1ccsc1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001148795153 1137435048 /nfs/dbraw/zinc/43/50/48/1137435048.db2.gz WORIQNQFRHZCTC-UHFFFAOYSA-N -1 0 329.299 3.927 20 0 EHADRM O=C(Nc1cc(=O)[nH]c(Cl)c1)c1cc(Cl)cc(Cl)c1[O-] ZINC001148805447 1137435380 /nfs/dbraw/zinc/43/53/80/1137435380.db2.gz MLKHAMBZHMFMAK-UHFFFAOYSA-N -1 0 333.558 3.705 20 0 EHADRM CCc1cc2c(CC(=O)OCc3n[n-]c(C)cc3=O)csc2s1 ZINC000870292476 1137486405 /nfs/dbraw/zinc/48/64/05/1137486405.db2.gz GXIPDBJBGKONJX-UHFFFAOYSA-N -1 0 348.449 3.615 20 0 EHADRM O=C([O-])Cc1csc(CNCc2cccc(C3CCCC3)c2)n1 ZINC000871881125 1137562289 /nfs/dbraw/zinc/56/22/89/1137562289.db2.gz JGMONWUHVZOFPA-UHFFFAOYSA-N -1 0 330.453 3.718 20 0 EHADRM O=S(=O)([N-]c1ccnn1C1CCCCC1)c1ccc(C(F)F)o1 ZINC000872002217 1137564239 /nfs/dbraw/zinc/56/42/39/1137564239.db2.gz HCJFYARYJFXDSF-UHFFFAOYSA-N -1 0 345.371 3.720 20 0 EHADRM C[C@@H](N[C@H](CO)c1cccc(C(F)(F)F)c1)c1cccc(O)c1F ZINC000872093442 1137570912 /nfs/dbraw/zinc/57/09/12/1137570912.db2.gz VVXUKOPGWXXTML-QMTHXVAHSA-N -1 0 343.320 3.934 20 0 EHADRM CO[C@H]1CC[C@@H](C)N(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC000872161348 1137574508 /nfs/dbraw/zinc/57/45/08/1137574508.db2.gz RVHPFPRAPHWUHE-WBMJQRKESA-N -1 0 346.452 3.508 20 0 EHADRM CC1([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC(F)(F)C1 ZINC000872667183 1137582591 /nfs/dbraw/zinc/58/25/91/1137582591.db2.gz VMKMWFANBSWVFT-UHFFFAOYSA-N -1 0 348.173 3.599 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)Nc2cccc(OCC(=O)[O-])c2)c1 ZINC000872712604 1137582984 /nfs/dbraw/zinc/58/29/84/1137582984.db2.gz UOKRUIVEHDKLSR-UHFFFAOYSA-N -1 0 343.379 3.580 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000872711849 1137583061 /nfs/dbraw/zinc/58/30/61/1137583061.db2.gz DNUDXNKCXXSQRB-UHFFFAOYSA-N -1 0 327.380 3.743 20 0 EHADRM Cc1occ(C(F)(F)F)c1C(=O)NCCCCCCCC(=O)[O-] ZINC000872718121 1137583133 /nfs/dbraw/zinc/58/31/33/1137583133.db2.gz IVBZWDVGYMKTKF-UHFFFAOYSA-N -1 0 335.322 3.762 20 0 EHADRM CCO[C@H]1C[C@@H](NC(=O)c2ccc3oc(=S)[n-]c3c2)C1(CC)CC ZINC001137062865 1137584574 /nfs/dbraw/zinc/58/45/74/1137584574.db2.gz GJXQWVXYHIDXQT-CABCVRRESA-N -1 0 348.468 3.830 20 0 EHADRM C[C@H](NC(=O)C(C)(C)SCC(=O)[O-])c1csc2ccccc21 ZINC000872844931 1137585495 /nfs/dbraw/zinc/58/54/95/1137585495.db2.gz ZUVLAIJBSHCOMJ-JTQLQIEISA-N -1 0 337.466 3.675 20 0 EHADRM CC[C@@H](NC(=O)C[C@H](C(=O)[O-])c1ccccc1)c1ccccc1OC ZINC000872896712 1137586178 /nfs/dbraw/zinc/58/61/78/1137586178.db2.gz SZIVNOIKGWHOMB-DLBZAZTESA-N -1 0 341.407 3.521 20 0 EHADRM C[C@H](c1cccs1)N(C)C(=O)CC1(C(=O)[O-])Cc2ccccc2C1 ZINC000872899529 1137586289 /nfs/dbraw/zinc/58/62/89/1137586289.db2.gz INAMAKBTHOYMFP-CYBMUJFWSA-N -1 0 343.448 3.527 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)C(C)(C)CCC(=O)[O-])c1nc2ccccc2[nH]1 ZINC000872906450 1137586350 /nfs/dbraw/zinc/58/63/50/1137586350.db2.gz BQFZQNOLYSPGSS-BLLLJJGKSA-N -1 0 345.443 3.657 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000873000926 1137587732 /nfs/dbraw/zinc/58/77/32/1137587732.db2.gz AZLAMDZVUTZMTP-BDAKNGLRSA-N -1 0 332.158 3.738 20 0 EHADRM CCC(CC)(CC(=O)N[C@H](Cc1cccnc1)C1CCCC1)C(=O)[O-] ZINC000873000024 1137587789 /nfs/dbraw/zinc/58/77/89/1137587789.db2.gz UBHYXDSQJRMOPR-QGZVFWFLSA-N -1 0 346.471 3.580 20 0 EHADRM CN(C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])C1CCCCC1 ZINC000873902020 1137607945 /nfs/dbraw/zinc/60/79/45/1137607945.db2.gz NKYMPLBGRFVDRL-UHFFFAOYSA-N -1 0 327.380 3.869 20 0 EHADRM CCCN(CC(F)F)C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000874257601 1137612189 /nfs/dbraw/zinc/61/21/89/1137612189.db2.gz FYXWGYFLMLYZRN-UHFFFAOYSA-N -1 0 337.322 3.582 20 0 EHADRM Cc1nc(CCC(=O)[O-])oc1-c1ccc(-c2ccc(C=O)o2)cc1 ZINC000874971784 1137627364 /nfs/dbraw/zinc/62/73/64/1137627364.db2.gz XKNOAUTUIIGWII-UHFFFAOYSA-N -1 0 325.320 3.740 20 0 EHADRM Oc1ccccc1-c1nnc(CN2CCC[C@@H]2c2cccs2)o1 ZINC000877902918 1137694853 /nfs/dbraw/zinc/69/48/53/1137694853.db2.gz IQVFUSCLKVCMJX-CYBMUJFWSA-N -1 0 327.409 3.841 20 0 EHADRM CC[C@H]1CCC[C@]1(C)C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000878033148 1137700064 /nfs/dbraw/zinc/70/00/64/1137700064.db2.gz RZHMGZOVWUCWAU-GTNSWQLSSA-N -1 0 333.457 3.572 20 0 EHADRM Cc1ccc(C)c(NC(=O)COC(=O)c2cc3ccsc3[nH]2)c1 ZINC000023345684 1137748790 /nfs/dbraw/zinc/74/87/90/1137748790.db2.gz HTTGGLTVTYUIFR-UHFFFAOYSA-N -1 0 328.393 3.642 20 0 EHADRM O=C(CSc1nc2ccccc2s1)[N-]OCc1ccccc1 ZINC000025283179 1137828473 /nfs/dbraw/zinc/82/84/73/1137828473.db2.gz FKOXPZDBGDWNGQ-UHFFFAOYSA-N -1 0 330.434 3.636 20 0 EHADRM CC(C)c1ncsc1[N-]S(=O)(=O)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000882735810 1137832955 /nfs/dbraw/zinc/83/29/55/1137832955.db2.gz UZTNJFVCSSGQCF-OLZOCXBDSA-N -1 0 340.445 3.703 20 0 EHADRM Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1ncsc1C1CC1 ZINC000882771219 1137833877 /nfs/dbraw/zinc/83/38/77/1137833877.db2.gz SWAWYTYUOKQHSS-UHFFFAOYSA-N -1 0 345.449 3.678 20 0 EHADRM CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1 ZINC000131414640 1137852856 /nfs/dbraw/zinc/85/28/56/1137852856.db2.gz HTDSNWODYVYNNL-UHFFFAOYSA-N -1 0 347.412 3.580 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N2CCC[C@H]2c2ccsc2)s1 ZINC000331642569 1137915729 /nfs/dbraw/zinc/91/57/29/1137915729.db2.gz QVQFBNYBQJEZDX-JTQLQIEISA-N -1 0 340.499 3.503 20 0 EHADRM COc1ccc([C@H]2CCCN2C(=O)c2c([O-])cccc2F)cc1OC ZINC000118974233 1137936980 /nfs/dbraw/zinc/93/69/80/1137936980.db2.gz AWFVKIAQSBXXBO-CQSZACIVSA-N -1 0 345.370 3.526 20 0 EHADRM O=C(OCc1nnc(-c2ccccc2O)o1)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000884585803 1137963814 /nfs/dbraw/zinc/96/38/14/1137963814.db2.gz USLRUOJCSZHYAE-LAQFHYBYSA-N -1 0 342.395 3.702 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000885223270 1137989098 /nfs/dbraw/zinc/98/90/98/1137989098.db2.gz ATXOPWCYKQSCNE-UKRRQHHQSA-N -1 0 328.437 3.767 20 0 EHADRM CC1(C)C[C@@H](c2ccccc2)CN1C(=O)c1n[n-]c2ccccc2c1=O ZINC000885238281 1137990742 /nfs/dbraw/zinc/99/07/42/1137990742.db2.gz ZKRXHDSRVJHFEH-OAHLLOKOSA-N -1 0 347.418 3.744 20 0 EHADRM Cc1cc(C(=O)NCCCCCCC(=O)[O-])ccc1Br ZINC000137441651 1138062241 /nfs/dbraw/zinc/06/22/41/1138062241.db2.gz CAMJEOYIMCZCHI-UHFFFAOYSA-N -1 0 342.233 3.522 20 0 EHADRM CCN(Cc1ccccn1)C(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001137233310 1138182254 /nfs/dbraw/zinc/18/22/54/1138182254.db2.gz ZYAZXSKRFZZNAY-UHFFFAOYSA-N -1 0 325.195 3.756 20 0 EHADRM O=c1c2c([n-]n1-c1cc(Cl)nc3ncccc13)CCCCCC2 ZINC000887294875 1138257543 /nfs/dbraw/zinc/25/75/43/1138257543.db2.gz OSZSXNPDVPHZPT-NSHDSACASA-N -1 0 328.803 3.956 20 0 EHADRM O=c1c2c([n-]n1-c1cccc(OC(F)F)c1Br)CCC2 ZINC000887295071 1138258061 /nfs/dbraw/zinc/25/80/61/1138258061.db2.gz WDASETRJUXWMHU-SSDOTTSWSA-N -1 0 345.143 3.553 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1C(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1 ZINC000887316311 1138262913 /nfs/dbraw/zinc/26/29/13/1138262913.db2.gz NXNRFMNSXNFJPB-TUAOUCFPSA-N -1 0 333.281 3.699 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc2c(c1)C=CC1(CCC1)O2 ZINC000887323996 1138265999 /nfs/dbraw/zinc/26/59/99/1138265999.db2.gz NWAGYHKKYMSHAW-HOTGVXAUSA-N -1 0 339.391 3.620 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2nnc(CC3CCCCC3)o2)cc1 ZINC000333292020 1138274581 /nfs/dbraw/zinc/27/45/81/1138274581.db2.gz AQIVUQGHYDGUTC-UHFFFAOYSA-N -1 0 349.456 3.556 20 0 EHADRM O=S(=O)(N[C@H]1CCOC2(CCCCC2)C1)c1sccc1Cl ZINC000333376728 1138282502 /nfs/dbraw/zinc/28/25/02/1138282502.db2.gz DYNRWQZWPCECMU-NSHDSACASA-N -1 0 349.905 3.562 20 0 EHADRM O=C(Nc1ccc(N2CCCCC2)cc1)c1s[n-]c(=O)c1Cl ZINC000282985297 1138303054 /nfs/dbraw/zinc/30/30/54/1138303054.db2.gz NOUPZWGQWBYQTM-UHFFFAOYSA-N -1 0 337.832 3.745 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000128559297 1138392735 /nfs/dbraw/zinc/39/27/35/1138392735.db2.gz OQCDBTPESZVTTA-CYBMUJFWSA-N -1 0 329.227 3.512 20 0 EHADRM CCc1nc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)sc1C ZINC000336889753 1138421850 /nfs/dbraw/zinc/42/18/50/1138421850.db2.gz IOSBZGBZWFXKLK-UHFFFAOYSA-N -1 0 347.465 3.671 20 0 EHADRM CC(C)CC[C@H](NC(=O)N=c1[n-]ncs1)c1ccc(Cl)cc1 ZINC000336942283 1138431718 /nfs/dbraw/zinc/43/17/18/1138431718.db2.gz IWSFFDPAHDRWAR-ZDUSSCGKSA-N -1 0 338.864 3.912 20 0 EHADRM CO[C@@H](C)CS(=O)(=O)[N-]c1ccccc1Sc1ccccc1 ZINC000337746067 1138657618 /nfs/dbraw/zinc/65/76/18/1138657618.db2.gz GHVZUWONNXJOQP-ZDUSSCGKSA-N -1 0 337.466 3.614 20 0 EHADRM CO[C@H](C)c1nc(=NCc2cc(C)cc3c(C)c(C)[nH]c32)s[n-]1 ZINC000337906058 1138695833 /nfs/dbraw/zinc/69/58/33/1138695833.db2.gz BYGKBYRAKQNFMA-GFCCVEGCSA-N -1 0 330.457 3.686 20 0 EHADRM CO[C@H](C)c1nc(=NCc2ccc(-c3ccccc3F)o2)s[n-]1 ZINC000337912079 1138696799 /nfs/dbraw/zinc/69/67/99/1138696799.db2.gz KDMSESIHVRDXGD-SNVBAGLBSA-N -1 0 333.388 3.679 20 0 EHADRM COCCCC[C@@H](N=c1nc([C@@H](C)OC)[n-]s1)c1ccccc1 ZINC000337945794 1138703981 /nfs/dbraw/zinc/70/39/81/1138703981.db2.gz VVDBSQFUDCPPHK-UKRRQHHQSA-N -1 0 335.473 3.637 20 0 EHADRM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1s[n-]c(=O)c1Cl ZINC000283016392 1138718331 /nfs/dbraw/zinc/71/83/31/1138718331.db2.gz JMKNOVQAIZHOEH-JTQLQIEISA-N -1 0 336.844 3.943 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)c(C)o1 ZINC000182813331 1139994841 /nfs/dbraw/zinc/99/48/41/1139994841.db2.gz YCFJMFQJLQAHJU-UHFFFAOYSA-N -1 0 332.381 3.716 20 0 EHADRM C[C@@H](CNC(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)CC(=O)[O-] ZINC000777399011 1140050462 /nfs/dbraw/zinc/05/04/62/1140050462.db2.gz GWHWLFKCESTMLD-JHYPKJRRSA-N -1 0 349.736 3.599 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000184543602 1140107888 /nfs/dbraw/zinc/10/78/88/1140107888.db2.gz MLWMPSFBQSPICJ-CZUORRHYSA-N -1 0 347.386 3.633 20 0 EHADRM O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1cc(F)c([O-])c(F)c1 ZINC000186697879 1140217967 /nfs/dbraw/zinc/21/79/67/1140217967.db2.gz UVNHZTPTUBSOCY-ACJLOTCBSA-N -1 0 347.361 3.568 20 0 EHADRM Cc1occc1S([O-])=CC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000189642530 1140357259 /nfs/dbraw/zinc/35/72/59/1140357259.db2.gz RFVTWHNUPUDMTJ-OYHNWAKOSA-N -1 0 339.482 3.661 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccnn2[C@H](C)C2CC2)sc1Cl ZINC000190279001 1140397000 /nfs/dbraw/zinc/39/70/00/1140397000.db2.gz FXYPDMNEKUQFHO-SECBINFHSA-N -1 0 345.877 3.678 20 0 EHADRM Cc1nc(CCCC(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cs1 ZINC000191398691 1140461624 /nfs/dbraw/zinc/46/16/24/1140461624.db2.gz ONVPQHMFJIKTOI-LBPRGKRZSA-N -1 0 346.452 3.676 20 0 EHADRM Cc1cc(=O)[nH]c([C@H](C)N[C@H](C)c2ccc(-c3cccnc3)cc2)n1 ZINC000192762106 1140548998 /nfs/dbraw/zinc/54/89/98/1140548998.db2.gz DLNPJBHBNBXEJF-CABCVRRESA-N -1 0 334.423 3.964 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C1 ZINC000192967848 1140557396 /nfs/dbraw/zinc/55/73/96/1140557396.db2.gz RUVNEYSACDJYER-WVZRYYJFSA-N -1 0 333.403 3.626 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cnn(C3CCCC3)c2C)c(C)s1 ZINC000194224535 1140602742 /nfs/dbraw/zinc/60/27/42/1140602742.db2.gz RBGDNNQKIPNALM-UHFFFAOYSA-N -1 0 339.486 3.786 20 0 EHADRM CCCOc1ccc(Cl)cc1NC(=O)C1CCC(C(=O)[O-])CC1 ZINC000194393090 1140607400 /nfs/dbraw/zinc/60/74/00/1140607400.db2.gz OWPUHERJWJJNQM-UHFFFAOYSA-N -1 0 339.819 3.958 20 0 EHADRM COc1ccc(N(C(=O)C2CCC(C(=O)[O-])CC2)[C@@H](C)C2CC2)cc1 ZINC000194406995 1140608685 /nfs/dbraw/zinc/60/86/85/1140608685.db2.gz YXZSNJBVSWTQRJ-JEYLPNPQSA-N -1 0 345.439 3.718 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000194455407 1140611105 /nfs/dbraw/zinc/61/11/05/1140611105.db2.gz HMLOUJREGQACRT-UONOGXRCSA-N -1 0 329.421 3.707 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC[C@H]1[C@@H]1CCCCC1=O ZINC000194819935 1140622976 /nfs/dbraw/zinc/62/29/76/1140622976.db2.gz MYHZTTJMUIBJEL-FZMZJTMJSA-N -1 0 339.794 3.549 20 0 EHADRM CCC(CC)n1ccc(CO[N-]C(=O)C(C)(C)c2ccccc2)n1 ZINC000269331909 1141094832 /nfs/dbraw/zinc/09/48/32/1141094832.db2.gz MSJHBQQBISBUHY-UHFFFAOYSA-N -1 0 329.444 3.770 20 0 EHADRM CCn1cc(S(=O)(=O)[N-]c2ccccc2-c2cccs2)nc1C ZINC000348866974 1141599442 /nfs/dbraw/zinc/59/94/42/1141599442.db2.gz OTDHEDBKXKFHKE-UHFFFAOYSA-N -1 0 347.465 3.741 20 0 EHADRM Cc1nc(C=Cc2cc3ccccc3s2)[nH]c(=O)c1CC(=O)[O-] ZINC000349107741 1141640072 /nfs/dbraw/zinc/64/00/72/1141640072.db2.gz KLLZOFRQXPVCGR-SREVYHEPSA-N -1 0 326.377 3.503 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccccc2F)ccc1Br ZINC000003581389 210058904 /nfs/dbraw/zinc/05/89/04/210058904.db2.gz WHZXVVXFUNDNKU-UHFFFAOYSA-N -1 0 344.205 3.697 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)c1cc(F)c(Cl)cc1Cl ZINC000038026480 213192692 /nfs/dbraw/zinc/19/26/92/213192692.db2.gz XYYIKHKENHICDH-QMMMGPOBSA-N -1 0 334.174 3.602 20 0 EHADRM CCCCSCC(=O)Nc1cc(Br)ccc1C(=O)[O-] ZINC000037742462 213164013 /nfs/dbraw/zinc/16/40/13/213164013.db2.gz VVQWDUNSVCZWEV-UHFFFAOYSA-N -1 0 346.246 3.619 20 0 EHADRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000023371105 212371865 /nfs/dbraw/zinc/37/18/65/212371865.db2.gz UDLWDARDOZWJML-UHFFFAOYSA-N -1 0 326.421 3.961 20 0 EHADRM C[C@@H](Sc1nnc(COc2ccc(Cl)cc2Cl)o1)C(=O)[O-] ZINC000008362789 597050836 /nfs/dbraw/zinc/05/08/36/597050836.db2.gz XVWITVPJHPPMBZ-ZCFIWIBFSA-N -1 0 349.195 3.521 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)c2cc3c(ccc4ccccc34)[nH]2)C1 ZINC000819370682 597095047 /nfs/dbraw/zinc/09/50/47/597095047.db2.gz HYQKTDNIJPKGPG-ZDUSSCGKSA-N -1 0 336.391 3.648 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)Nc2ccc(OC3CCCC3)cc2)C1 ZINC000569204474 597117119 /nfs/dbraw/zinc/11/71/19/597117119.db2.gz KHNLAUQGLCEBAO-AWEZNQCLSA-N -1 0 346.427 3.727 20 0 EHADRM C[C@@H](C(=O)NCCCCCC(=O)[O-])c1c(Cl)cccc1Cl ZINC000676211306 597154003 /nfs/dbraw/zinc/15/40/03/597154003.db2.gz BAPXQFRORTYWLM-SNVBAGLBSA-N -1 0 332.227 3.858 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)NC2(c3cccc(Cl)c3)CC2)c1 ZINC000738623145 597194353 /nfs/dbraw/zinc/19/43/53/597194353.db2.gz BRQAFLVCCZOTSB-UHFFFAOYSA-N -1 0 344.798 3.778 20 0 EHADRM C[S@@](=O)Cc1ccc(Cl)c(NCc2ccc(C(=O)[O-])cc2)c1 ZINC000818654150 597300812 /nfs/dbraw/zinc/30/08/12/597300812.db2.gz OMDLZNCVEKPZHN-JOCHJYFZSA-N -1 0 337.828 3.529 20 0 EHADRM C[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)NCCCC(=O)[O-] ZINC000263467158 597308256 /nfs/dbraw/zinc/30/82/56/597308256.db2.gz KIFUIPUGBJPOAH-AWEZNQCLSA-N -1 0 346.452 3.886 20 0 EHADRM Cc1ccccc1[C@H]1CCCN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818958914 597328453 /nfs/dbraw/zinc/32/84/53/597328453.db2.gz PYXJGGBAISEUCS-GOSISDBHSA-N -1 0 338.407 3.991 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)N1CCC[C@H]1c1ccc(F)cc1 ZINC000819609163 597342287 /nfs/dbraw/zinc/34/22/87/597342287.db2.gz FMOFOYUTJQZJQW-KRWDZBQOSA-N -1 0 342.370 3.822 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1ccccc1CC(=O)[O-])c1nc(C)cs1 ZINC000818132305 597343631 /nfs/dbraw/zinc/34/36/31/597343631.db2.gz PWZYFNXRQXKDBE-QGZVFWFLSA-N -1 0 347.440 3.526 20 0 EHADRM CC(C)C[C@H](NC(=O)Nc1ccccc1CCC(F)(F)F)C(=O)[O-] ZINC000819972369 597511685 /nfs/dbraw/zinc/51/16/85/597511685.db2.gz FZAKFUYNCVHQIY-ZDUSSCGKSA-N -1 0 346.349 3.802 20 0 EHADRM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000820228580 597651536 /nfs/dbraw/zinc/65/15/36/597651536.db2.gz PTVFIYSKYVSXMG-JQWIXIFHSA-N -1 0 344.333 3.508 20 0 EHADRM C[C@@H](NC(=O)NCCCCCC(=O)[O-])c1cc2ccccc2s1 ZINC000414647783 599702075 /nfs/dbraw/zinc/70/20/75/599702075.db2.gz SYKZANUXLVKCAH-GFCCVEGCSA-N -1 0 334.441 3.907 20 0 EHADRM C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000321412272 599703629 /nfs/dbraw/zinc/70/36/29/599703629.db2.gz RLBTYEQBFUYVMR-VIFPVBQESA-N -1 0 337.734 3.583 20 0 EHADRM CC(C)[C@H](CNC(=O)c1ccccc1NC(=O)[O-])c1ccccc1 ZINC000736359127 599708123 /nfs/dbraw/zinc/70/81/23/599708123.db2.gz URHGXHDFVDEPRW-INIZCTEOSA-N -1 0 326.396 3.946 20 0 EHADRM O=C([O-])NCCC(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000739947171 599708300 /nfs/dbraw/zinc/70/83/00/599708300.db2.gz RXNPSAFKMQPBQU-UHFFFAOYSA-N -1 0 341.392 3.560 20 0 EHADRM CCCC[C@H](Sc1nnc(C(C)C)n1Cc1ccco1)C(=O)[O-] ZINC000736985298 599709870 /nfs/dbraw/zinc/70/98/70/599709870.db2.gz NLFOJNUXNADWEF-ZDUSSCGKSA-N -1 0 337.445 3.778 20 0 EHADRM C[C@H](CCc1ccco1)NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736560609 599716121 /nfs/dbraw/zinc/71/61/21/599716121.db2.gz HCGUIMUBKUJPFQ-SNVBAGLBSA-N -1 0 335.335 3.651 20 0 EHADRM CC(C)Cc1ccc(-c2csc(NC(=O)CCNC(=O)[O-])n2)cc1 ZINC000736454231 599723778 /nfs/dbraw/zinc/72/37/78/599723778.db2.gz SDMAPRRUEPCFOK-UHFFFAOYSA-N -1 0 347.440 3.605 20 0 EHADRM Cc1ccc(CCC2CCN(C(=O)CCCN(C)C(=O)[O-])CC2)cc1 ZINC000738588749 599728501 /nfs/dbraw/zinc/72/85/01/599728501.db2.gz FMLGLPBUWAEMEU-UHFFFAOYSA-N -1 0 346.471 3.556 20 0 EHADRM CCCc1ccc([C@H](NC(=O)CCCN(C)C(=O)[O-])C(C)C)cc1 ZINC000737044379 599729759 /nfs/dbraw/zinc/72/97/59/599729759.db2.gz CVXDUTVTKSMQEJ-GOSISDBHSA-N -1 0 334.460 3.842 20 0 EHADRM COc1ccc(Br)cc1-c1nc(C)c(C(=O)[O-])s1 ZINC000011951673 599734346 /nfs/dbraw/zinc/73/43/46/599734346.db2.gz WNULYCANMPKCNY-UHFFFAOYSA-N -1 0 328.187 3.588 20 0 EHADRM CN(CCCC(=O)Nc1cccc(COc2ccccc2)c1)C(=O)[O-] ZINC000737430851 599737500 /nfs/dbraw/zinc/73/75/00/599737500.db2.gz LFXAQPNQNVKRQT-UHFFFAOYSA-N -1 0 342.395 3.594 20 0 EHADRM O=C([O-])CCCCCNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000238148319 599741234 /nfs/dbraw/zinc/74/12/34/599741234.db2.gz OHSYMDFRSFHCKE-ZWKOTPCHSA-N -1 0 325.408 3.705 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000236946704 599744235 /nfs/dbraw/zinc/74/42/35/599744235.db2.gz SGYVMQUYKUXJSF-RDTXWAMCSA-N -1 0 325.408 3.685 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)Nc2ccc(OCCC(=O)[O-])cc2)cc1 ZINC000236947953 599745434 /nfs/dbraw/zinc/74/54/34/599745434.db2.gz PMEVAZDADGRHHJ-CQSZACIVSA-N -1 0 341.407 3.845 20 0 EHADRM COc1ccc([C@H](NC(=O)CCCC2CCCCC2)C(=O)[O-])cc1 ZINC000575997145 599756095 /nfs/dbraw/zinc/75/60/95/599756095.db2.gz SVPJAVOCMRLSGX-SFHVURJKSA-N -1 0 333.428 3.688 20 0 EHADRM CC(C)Cc1ccc([C@H](NC(=O)NCCCC(=O)[O-])C2CC2)cc1 ZINC000736454805 599758634 /nfs/dbraw/zinc/75/86/34/599758634.db2.gz WWHZHWWAKXIMFM-SFHVURJKSA-N -1 0 332.444 3.500 20 0 EHADRM CCSc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])cn1 ZINC000737230280 599764407 /nfs/dbraw/zinc/76/44/07/599764407.db2.gz SQQBFKQLLZONNZ-UHFFFAOYSA-N -1 0 336.800 3.798 20 0 EHADRM Cc1ccc(NC(=O)c2ccc(-c3ccco3)nc2C)c(C(=O)[O-])c1 ZINC000738627519 599765161 /nfs/dbraw/zinc/76/51/61/599765161.db2.gz OQGXQMRTPBIQLP-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)c1ccc(C(=O)[O-])nc1 ZINC000236933761 599765676 /nfs/dbraw/zinc/76/56/76/599765676.db2.gz DKFNMDUKIUDMPH-UHFFFAOYSA-N -1 0 336.800 3.798 20 0 EHADRM Cc1ccc(-c2cc(C(=O)Nc3ccc(CCC(=O)[O-])cc3)n[nH]2)cc1 ZINC000237709681 599767827 /nfs/dbraw/zinc/76/78/27/599767827.db2.gz HJRFOGRQHFMRHX-UHFFFAOYSA-N -1 0 349.390 3.655 20 0 EHADRM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000021003184 599769256 /nfs/dbraw/zinc/76/92/56/599769256.db2.gz SZYCHKVOTTTWAC-GFCCVEGCSA-N -1 0 347.798 3.763 20 0 EHADRM Cn1c(Cl)c(Cl)cc1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000237866999 599769871 /nfs/dbraw/zinc/76/98/71/599769871.db2.gz CTZJWUJYRPUYPQ-UHFFFAOYSA-N -1 0 341.194 3.601 20 0 EHADRM Cc1cc(CN(C)[C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)on1 ZINC000738379179 599771985 /nfs/dbraw/zinc/77/19/85/599771985.db2.gz PUICGFRRWVNULL-CYBMUJFWSA-N -1 0 329.183 3.548 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000262149460 599772154 /nfs/dbraw/zinc/77/21/54/599772154.db2.gz LRUDKSYZTVWLHC-UHFFFAOYSA-N -1 0 341.407 3.629 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(NCc3cc(F)ccc3F)c12 ZINC000738363169 599778757 /nfs/dbraw/zinc/77/87/57/599778757.db2.gz FCRDHCCIYKPJFT-UHFFFAOYSA-N -1 0 349.362 3.897 20 0 EHADRM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000736427073 599788645 /nfs/dbraw/zinc/78/86/45/599788645.db2.gz RNXDCUQVMRAYGN-PBHICJAKSA-N -1 0 348.443 3.876 20 0 EHADRM O=C([O-])c1ccccc1C(=O)OCc1ccc(Cl)c2cccnc12 ZINC000740240710 599788639 /nfs/dbraw/zinc/78/86/39/599788639.db2.gz BZRMVNVFUJASAT-UHFFFAOYSA-N -1 0 341.750 3.943 20 0 EHADRM Cc1nc(-c2ccco2)ccc1C(=O)OCc1cccc(C(=O)[O-])c1 ZINC000738838399 599790098 /nfs/dbraw/zinc/79/00/98/599790098.db2.gz RVAAHKVBVRRZFW-UHFFFAOYSA-N -1 0 337.331 3.705 20 0 EHADRM O=C([O-])c1occc1COC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000740280590 599791314 /nfs/dbraw/zinc/79/13/14/599791314.db2.gz CSTAWXSVQAQAFM-IAGOWNOFSA-N -1 0 336.343 3.978 20 0 EHADRM CC[C@](C)(NC(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccccc1 ZINC000736861805 599792859 /nfs/dbraw/zinc/79/28/59/599792859.db2.gz QHLLARQLQVKYHP-SFHVURJKSA-N -1 0 330.359 3.971 20 0 EHADRM Cn1c(SCc2cc(C(=O)[O-])co2)nnc1-c1ccccc1Cl ZINC000739014243 599802324 /nfs/dbraw/zinc/80/23/24/599802324.db2.gz LZOCDYZXRYADAK-UHFFFAOYSA-N -1 0 349.799 3.719 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)NCc2ccccc2Cl)cc1 ZINC000391357447 599804482 /nfs/dbraw/zinc/80/44/82/599804482.db2.gz CEUWWFAEXFKHOR-UHFFFAOYSA-N -1 0 332.787 3.679 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NC1(c2ccc(F)cc2)CC1 ZINC000738532722 599805158 /nfs/dbraw/zinc/80/51/58/599805158.db2.gz HWYFCOOQLJWVQD-UHFFFAOYSA-N -1 0 328.343 3.643 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)NCc1nc(C(C)(C)C)cs1 ZINC000738535277 599805365 /nfs/dbraw/zinc/80/53/65/599805365.db2.gz IBTIBVLFSJEAPW-UHFFFAOYSA-N -1 0 347.440 3.769 20 0 EHADRM COc1ccc(NC(=S)Nc2cccc(C(=O)[O-])c2C)cc1F ZINC000738040399 599806566 /nfs/dbraw/zinc/80/65/66/599806566.db2.gz ULJVFBIDYHXFIG-UHFFFAOYSA-N -1 0 334.372 3.650 20 0 EHADRM CC(C)(CNC(=O)c1ccc(C(=O)[O-])s1)c1ccccc1Cl ZINC000236708422 599807557 /nfs/dbraw/zinc/80/75/57/599807557.db2.gz HJILZMDXIXIDIE-UHFFFAOYSA-N -1 0 337.828 3.807 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(C(F)F)cc1)c1cccs1 ZINC000739628646 599809356 /nfs/dbraw/zinc/80/93/56/599809356.db2.gz VPOSRFLHXIXUOB-LLVKDONJSA-N -1 0 325.336 3.632 20 0 EHADRM C[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000325376450 599828160 /nfs/dbraw/zinc/82/81/60/599828160.db2.gz LYMRQMFQHPBXHT-GFCCVEGCSA-N -1 0 344.436 3.917 20 0 EHADRM O=C([O-])c1ccccc1C(=O)OCC(=O)c1ccc2ccccc2c1 ZINC000739325170 599829284 /nfs/dbraw/zinc/82/92/84/599829284.db2.gz RZSVWPBLXPDVFB-UHFFFAOYSA-N -1 0 334.327 3.578 20 0 EHADRM CSc1ccc(CNC(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000738209751 599829972 /nfs/dbraw/zinc/82/99/72/599829972.db2.gz ACYIHHURPBAPPT-UHFFFAOYSA-N -1 0 344.436 3.747 20 0 EHADRM C[C@H](Cc1ccsc1)NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000322728349 599830406 /nfs/dbraw/zinc/83/04/06/599830406.db2.gz SUIIJDVFSDJYJI-GFCCVEGCSA-N -1 0 332.425 3.518 20 0 EHADRM Cc1ccc(C)c(CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)c1 ZINC000320820202 599834526 /nfs/dbraw/zinc/83/45/26/599834526.db2.gz GKWMHXZVGUUESA-UHFFFAOYSA-N -1 0 329.421 3.733 20 0 EHADRM Cc1ccc(Oc2ccccc2NC(=O)CCSCC(=O)[O-])cc1 ZINC000738649124 599835913 /nfs/dbraw/zinc/83/59/13/599835913.db2.gz KXCTYAUOTADFGR-UHFFFAOYSA-N -1 0 345.420 3.934 20 0 EHADRM Cc1cccc(OCCCCC(=O)N(C)c2ccccc2C(=O)[O-])c1 ZINC000738309779 599837003 /nfs/dbraw/zinc/83/70/03/599837003.db2.gz AXTKTBIECFJKDM-UHFFFAOYSA-N -1 0 341.407 3.905 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)c2sccc2OC(F)F)c1 ZINC000740136857 599840009 /nfs/dbraw/zinc/84/00/09/599840009.db2.gz ZIPUQZIOOQLWKU-UHFFFAOYSA-N -1 0 347.726 3.953 20 0 EHADRM CN(CCCC(=O)Oc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[O-] ZINC000737438367 599840192 /nfs/dbraw/zinc/84/01/92/599840192.db2.gz NCWJJBXYGSFGKK-UHFFFAOYSA-N -1 0 339.697 3.654 20 0 EHADRM Cc1c(Cl)c(C(=O)[O-])nn1CN1CCC2(CCCCC2)CC1 ZINC000738290597 599841721 /nfs/dbraw/zinc/84/17/21/599841721.db2.gz RHGORKKNTAEXFN-UHFFFAOYSA-N -1 0 325.840 3.547 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OC(=O)[C@H]1CCOc2ccccc21 ZINC000740074850 599843813 /nfs/dbraw/zinc/84/38/13/599843813.db2.gz DTVATEQCECWAFY-LBPRGKRZSA-N -1 0 332.739 3.510 20 0 EHADRM COCc1c2ccccc2oc1C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000737829507 599846390 /nfs/dbraw/zinc/84/63/90/599846390.db2.gz KZRVNPWMWRSQNA-UHFFFAOYSA-N -1 0 343.310 3.669 20 0 EHADRM C[C@@H](c1ccccc1Cl)N1CCN(Cc2cc(C(=O)[O-])co2)CC1 ZINC000736724722 599847131 /nfs/dbraw/zinc/84/71/31/599847131.db2.gz ONVUAKXFBPBJGZ-ZDUSSCGKSA-N -1 0 348.830 3.510 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)c1ccccc1Br ZINC000035306299 599848423 /nfs/dbraw/zinc/84/84/23/599848423.db2.gz CROHLMDGLSXRQM-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM O=C([O-])c1ccc(C(=O)NC2(c3ccc(F)cc3)CCCC2)s1 ZINC000238004405 599850511 /nfs/dbraw/zinc/85/05/11/599850511.db2.gz PNMOTKDTSAICFH-UHFFFAOYSA-N -1 0 333.384 3.785 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)N2CCC3(CCCCC3)CC2)cc1 ZINC000327604455 599862552 /nfs/dbraw/zinc/86/25/52/599862552.db2.gz KRGVEOYETNQWGJ-UHFFFAOYSA-N -1 0 344.455 3.683 20 0 EHADRM CC(C)(C)c1nc(COC(=O)c2ccccc2NC(=O)[O-])cs1 ZINC000736302667 599866735 /nfs/dbraw/zinc/86/67/35/599866735.db2.gz AWWWRVDDEBFPHZ-UHFFFAOYSA-N -1 0 334.397 3.888 20 0 EHADRM O=C([O-])Nc1ccccc1C(=O)OCc1cc2c(c(Cl)c1)OCO2 ZINC000740053841 599869053 /nfs/dbraw/zinc/86/90/53/599869053.db2.gz CBUFCSGINIBACF-UHFFFAOYSA-N -1 0 349.726 3.516 20 0 EHADRM CCC(CC)N(CCOC)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736899257 599887242 /nfs/dbraw/zinc/88/72/42/599887242.db2.gz GBPSNJJVJSZTOA-UHFFFAOYSA-N -1 0 341.383 3.585 20 0 EHADRM O=C([O-])c1cnc(NC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)s1 ZINC000740261096 599891348 /nfs/dbraw/zinc/89/13/48/599891348.db2.gz UTWMBQXMJHACKT-UONOGXRCSA-N -1 0 338.388 3.737 20 0 EHADRM CC(=O)c1ccc(NC(=S)Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000736192151 599891816 /nfs/dbraw/zinc/89/18/16/599891816.db2.gz JVFDDBJBMLKKEP-UHFFFAOYSA-N -1 0 328.393 3.705 20 0 EHADRM CC(C)[C@H](NC(=O)NCCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000263169111 599894189 /nfs/dbraw/zinc/89/41/89/599894189.db2.gz CXHDQTCLBCZEMO-AWEZNQCLSA-N -1 0 346.349 3.567 20 0 EHADRM Cc1cc(NC(=O)c2cccc(NC(=O)[O-])c2)n(-c2ccccc2)n1 ZINC000738451801 599899253 /nfs/dbraw/zinc/89/92/53/599899253.db2.gz KLACWZCCPBVQLJ-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM CC(C)[C@H](CC(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000236648295 599903228 /nfs/dbraw/zinc/90/32/28/599903228.db2.gz ZITLNMYSCYDXKX-SFHVURJKSA-N -1 0 341.407 3.918 20 0 EHADRM CN(CCCCc1ccccc1)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000737438260 599906719 /nfs/dbraw/zinc/90/67/19/599906719.db2.gz IOJYRVLSQHKYJF-UHFFFAOYSA-N -1 0 326.396 3.871 20 0 EHADRM O=C([O-])c1cnc(/C=C/c2ccc(OCc3ccncc3)cc2)s1 ZINC000338616014 599907385 /nfs/dbraw/zinc/90/73/85/599907385.db2.gz YYTIPVIWQUYUCN-ZZXKWVIFSA-N -1 0 338.388 3.986 20 0 EHADRM CCOc1cc(/C=C/c2ncc(C(=O)[O-])s2)cc(Cl)c1O ZINC000436710068 599907512 /nfs/dbraw/zinc/90/75/12/599907512.db2.gz YJGKAJFPTLQBNE-ONEGZZNKSA-N -1 0 325.773 3.769 20 0 EHADRM O=Cc1cc(C(=O)[O-])ccc1OCc1cc(-c2ccc(F)cc2)no1 ZINC000740316107 599909961 /nfs/dbraw/zinc/90/99/61/599909961.db2.gz IWCHKYPWWKRVCL-UHFFFAOYSA-N -1 0 341.294 3.570 20 0 EHADRM C[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1ccccc1)c1ccccc1F ZINC000237534762 599911947 /nfs/dbraw/zinc/91/19/47/599911947.db2.gz CYOSSQMUNHQFQS-SUMWQHHRSA-N -1 0 329.371 3.652 20 0 EHADRM COc1ccc(N(C(=O)c2cccc(NC(=O)[O-])c2)C(C)C)cc1F ZINC000738016665 599911998 /nfs/dbraw/zinc/91/19/98/599911998.db2.gz DUEAJYSIRFSTKA-UHFFFAOYSA-N -1 0 346.358 3.979 20 0 EHADRM Cc1nc(NC(=O)C2(c3cccc(C)c3)CCCC2)sc1C(=O)[O-] ZINC000738688247 599912485 /nfs/dbraw/zinc/91/24/85/599912485.db2.gz XNCDBQWUSXQNBV-UHFFFAOYSA-N -1 0 344.436 3.909 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2cc(F)c(F)c(F)c2)ccc1F ZINC000740008571 599913324 /nfs/dbraw/zinc/91/33/24/599913324.db2.gz QZIUIJYBJMWVSX-UHFFFAOYSA-N -1 0 328.221 3.585 20 0 EHADRM C[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1)c1ccccc1F ZINC000262660271 599914488 /nfs/dbraw/zinc/91/44/88/599914488.db2.gz UFZUKGKFJUJDHK-PXAZEXFGSA-N -1 0 347.361 3.791 20 0 EHADRM Cc1cc(NC(=O)c2cc(Cl)c(Cl)n2C)ccc1C(=O)[O-] ZINC000044749996 599915763 /nfs/dbraw/zinc/91/57/63/599915763.db2.gz XCXSWZSQLLHEEI-UHFFFAOYSA-N -1 0 327.167 3.591 20 0 EHADRM Cc1cc(NC(=O)c2cc(-c3ccccc3F)on2)ccc1C(=O)[O-] ZINC000676018895 599916574 /nfs/dbraw/zinc/91/65/74/599916574.db2.gz GHDPNOKLQRQJAD-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)c1 ZINC000236732475 599916657 /nfs/dbraw/zinc/91/66/57/599916657.db2.gz RSFHRWYMEQHWPP-CABCVRRESA-N -1 0 347.455 3.597 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])cc1)[C@@H](c1ccccc1)C(F)(F)F ZINC000737336668 599919396 /nfs/dbraw/zinc/91/93/96/599919396.db2.gz PNNOTUPFXUIDNF-AWEZNQCLSA-N -1 0 337.297 3.760 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)CCc2ccsc2)c1 ZINC000238071620 599921788 /nfs/dbraw/zinc/92/17/88/599921788.db2.gz ZTUCZMKHTULEQW-UHFFFAOYSA-N -1 0 335.450 3.637 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NCc1noc2c1CCCC2 ZINC000736491382 599923426 /nfs/dbraw/zinc/92/34/26/599923426.db2.gz OKYJIBIWHQJPSG-UHFFFAOYSA-N -1 0 330.384 3.651 20 0 EHADRM C[C@@H](CN(C(=O)c1ccc(-c2ccccc2Cl)o1)C1CC1)C(=O)[O-] ZINC000237471661 599923427 /nfs/dbraw/zinc/92/34/27/599923427.db2.gz SVJBVSWPCAGCIL-NSHDSACASA-N -1 0 347.798 3.925 20 0 EHADRM COc1ccc(NC(=S)N[C@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000738033899 599927382 /nfs/dbraw/zinc/92/73/82/599927382.db2.gz OGAGYNMMMVXSOO-MRXNPFEDSA-N -1 0 344.436 3.588 20 0 EHADRM Cc1oc(CN(C)C(=O)C[C@@H](C)c2ccccc2F)cc1C(=O)[O-] ZINC000262490165 599927792 /nfs/dbraw/zinc/92/77/92/599927792.db2.gz LWARCUBQOJATMI-LLVKDONJSA-N -1 0 333.359 3.578 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N2CCC[C@H]2Cc2cccc(F)c2)c1 ZINC000740026785 599931852 /nfs/dbraw/zinc/93/18/52/599931852.db2.gz CPZDRHZZDAKMAL-KRWDZBQOSA-N -1 0 342.370 3.763 20 0 EHADRM CCCOc1cccc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000327496480 599932488 /nfs/dbraw/zinc/93/24/88/599932488.db2.gz PKKSDTQWANZDPQ-SFHVURJKSA-N -1 0 341.407 3.811 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)c1ccccc1OC(F)F)c1ccccc1 ZINC000327122895 599936925 /nfs/dbraw/zinc/93/69/25/599936925.db2.gz OVCJOSQCXPGMGW-AWEZNQCLSA-N -1 0 349.333 3.624 20 0 EHADRM CSc1ccccc1C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000319886811 599936966 /nfs/dbraw/zinc/93/69/66/599936966.db2.gz XRFYHRQVPBOFQW-OAHLLOKOSA-N -1 0 329.421 3.744 20 0 EHADRM C[C@@H](CC(=O)OCCOc1cccc(C(=O)[O-])c1)c1ccccc1F ZINC000736557089 599946915 /nfs/dbraw/zinc/94/69/15/599946915.db2.gz QIUORMYXTBWXPK-ZDUSSCGKSA-N -1 0 346.354 3.640 20 0 EHADRM CCC[C@@H](NC(=O)CNc1ccc(C(=O)[O-])c(C)c1)c1ccccc1 ZINC000736970427 599960528 /nfs/dbraw/zinc/96/05/28/599960528.db2.gz MNUKIUQKIPWRFY-GOSISDBHSA-N -1 0 340.423 3.763 20 0 EHADRM O=C([O-])c1cc(NC(=O)CNc2cccc(Cl)c2)ccc1Cl ZINC000738466538 599962371 /nfs/dbraw/zinc/96/23/71/599962371.db2.gz TXENMDTYPSLSFK-UHFFFAOYSA-N -1 0 339.178 3.742 20 0 EHADRM CC(C)[C@H](OC(=O)c1ccc(-c2ccc(F)cc2)cc1F)C(=O)[O-] ZINC000736391845 599991586 /nfs/dbraw/zinc/99/15/86/599991586.db2.gz URVHUESIWPKIAN-INIZCTEOSA-N -1 0 334.318 3.898 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000128673615 599994605 /nfs/dbraw/zinc/99/46/05/599994605.db2.gz ZGMWHHLTINFLMN-QWHCGFSZSA-N -1 0 331.318 3.714 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000238048426 599997204 /nfs/dbraw/zinc/99/72/04/599997204.db2.gz SIZKHKWWKXAMSP-GJZGRUSLSA-N -1 0 345.345 3.724 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)OCc2coc(-c3ccccc3)n2)c1 ZINC000740039237 599999416 /nfs/dbraw/zinc/99/94/16/599999416.db2.gz LIDOHBGMXGUULF-UHFFFAOYSA-N -1 0 338.319 3.789 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2ccccc2C(F)(F)F)c1 ZINC000325902138 600000937 /nfs/dbraw/zinc/00/09/37/600000937.db2.gz XCOQLXKXUFQKLU-UHFFFAOYSA-N -1 0 339.269 3.665 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)/C=C(/C)c2ccc(F)cc2)c1 ZINC000737935462 600003988 /nfs/dbraw/zinc/00/39/88/600003988.db2.gz QUKQOLZIMJQIIA-LUAWRHEFSA-N -1 0 329.327 3.575 20 0 EHADRM CCN(CC)[C@H](C(=O)Oc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000737084861 600006782 /nfs/dbraw/zinc/00/67/82/600006782.db2.gz DQOHPQWOPAKJLW-KRWDZBQOSA-N -1 0 342.395 3.765 20 0 EHADRM Cc1sc(NC(=S)Nc2ccc(Cl)nc2)c(C(=O)[O-])c1C ZINC000738397501 600007175 /nfs/dbraw/zinc/00/71/75/600007175.db2.gz FXZHWMJWZCCYHQ-UHFFFAOYSA-N -1 0 341.845 3.920 20 0 EHADRM O=C([O-])C1CCC(NC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000037561663 600010034 /nfs/dbraw/zinc/01/00/34/600010034.db2.gz AZAHGJSTEVCADV-UHFFFAOYSA-N -1 0 331.199 3.758 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)Nc1nc3ccccc3s1)C2 ZINC000326127841 600010423 /nfs/dbraw/zinc/01/04/23/600010423.db2.gz HHCADOMESYDGIT-UHFFFAOYSA-N -1 0 339.376 3.542 20 0 EHADRM CC[C@@H](CNC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000736903953 600013120 /nfs/dbraw/zinc/01/31/20/600013120.db2.gz DIGDRSLEQISCPD-AWEZNQCLSA-N -1 0 338.407 3.604 20 0 EHADRM CC(C)c1cc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c(O)c(C(C)C)c1 ZINC000263394835 600013915 /nfs/dbraw/zinc/01/39/15/600013915.db2.gz FELIESCVBCCNHQ-CYBMUJFWSA-N -1 0 333.428 3.576 20 0 EHADRM CC(C)C[C@@H](NC(=O)NC1CCC(C(=O)[O-])CC1)c1cccs1 ZINC000414611308 600018804 /nfs/dbraw/zinc/01/88/04/600018804.db2.gz LJAACYADKBCTIU-JXQTWKCFSA-N -1 0 338.473 3.778 20 0 EHADRM Cc1ccccc1C1(C(=O)N2CCC[C@@H](C(=O)[O-])C2)CCCCC1 ZINC000237688479 600019509 /nfs/dbraw/zinc/01/95/09/600019509.db2.gz HWNRPSVMJZHHOI-MRXNPFEDSA-N -1 0 329.440 3.520 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)NCC2CCCCC2)c1 ZINC000739871153 600021168 /nfs/dbraw/zinc/02/11/68/600021168.db2.gz KNVZTWIDMLJUNG-UHFFFAOYSA-N -1 0 336.457 3.706 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000740132028 600021721 /nfs/dbraw/zinc/02/17/21/600021721.db2.gz BUFWPMADIARIEJ-KGLIPLIRSA-N -1 0 332.302 3.510 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1NC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000669499081 600021755 /nfs/dbraw/zinc/02/17/55/600021755.db2.gz UOXGYOFRJPKLSZ-CQSZACIVSA-N -1 0 340.379 3.726 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)c1csc(-c2ccc(C(C)C)cc2)n1 ZINC000236952855 600023496 /nfs/dbraw/zinc/02/34/96/600023496.db2.gz ZTTZPPXKWYYZBR-UHFFFAOYSA-N -1 0 346.452 3.870 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)c1 ZINC000739888631 600023855 /nfs/dbraw/zinc/02/38/55/600023855.db2.gz FGVUFSAKFOAJHO-HZPDHXFCSA-N -1 0 330.767 3.676 20 0 EHADRM Cc1cccc(C[C@@H](CNC(=O)Nc2ccc(C)cc2F)C(=O)[O-])c1 ZINC000738708910 600025930 /nfs/dbraw/zinc/02/59/30/600025930.db2.gz REEHPZUNXMNWCY-HNNXBMFYSA-N -1 0 344.386 3.508 20 0 EHADRM Cn1c2ccccc2c(Cl)c1C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000739012566 600026294 /nfs/dbraw/zinc/02/62/94/600026294.db2.gz HWSVXOJXAYSPQF-UHFFFAOYSA-N -1 0 343.766 3.678 20 0 EHADRM O=C([O-])C1CCC(NC(=O)Nc2ccc(OC3CCCC3)cc2)CC1 ZINC000263491447 600028480 /nfs/dbraw/zinc/02/84/80/600028480.db2.gz OYQDELLPIPGTAZ-UHFFFAOYSA-N -1 0 346.427 3.773 20 0 EHADRM O=C([O-])C1CCC(NC(=O)N2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000263510589 600031552 /nfs/dbraw/zinc/03/15/52/600031552.db2.gz YQDFRFLYERQIRH-AOCRQIFASA-N -1 0 344.455 3.609 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N(Cc2cccnc2)C2CC2)ccc1F ZINC000740005691 600032305 /nfs/dbraw/zinc/03/23/05/600032305.db2.gz OVIIESGMNMUEJQ-UHFFFAOYSA-N -1 0 344.346 3.507 20 0 EHADRM COc1ccc(NCc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC000738039751 600035432 /nfs/dbraw/zinc/03/54/32/600035432.db2.gz OGBRZVTUCCGLKT-UHFFFAOYSA-N -1 0 336.185 3.768 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000237311017 600042541 /nfs/dbraw/zinc/04/25/41/600042541.db2.gz JGPWLRWOCHFFBX-ZDUSSCGKSA-N -1 0 327.380 3.664 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)CC13CC4CC(CC(C4)C1)C3)C2 ZINC000326841914 600044250 /nfs/dbraw/zinc/04/42/50/600044250.db2.gz BVJQNGZYAOHLNK-UHFFFAOYSA-N -1 0 339.435 3.834 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)CSc1ccc(Cl)cc1)C2 ZINC000391188051 600045879 /nfs/dbraw/zinc/04/58/79/600045879.db2.gz FALVXQUTLLJMOC-UHFFFAOYSA-N -1 0 347.823 3.673 20 0 EHADRM CCc1ccc(C(=O)Nc2nc3nc(C)cc(C(=O)[O-])c3s2)cc1 ZINC000737258239 600047897 /nfs/dbraw/zinc/04/78/97/600047897.db2.gz ZNKTYYITJXZMGQ-UHFFFAOYSA-N -1 0 341.392 3.513 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000736890477 600051201 /nfs/dbraw/zinc/05/12/01/600051201.db2.gz CCTKRDKUTTYVBF-MXTHAYRGSA-N -1 0 345.439 3.637 20 0 EHADRM C[C@@H](Sc1nnc(Cc2cccs2)o1)c1ccc(C(=O)[O-])o1 ZINC000736715140 600056430 /nfs/dbraw/zinc/05/64/30/600056430.db2.gz NJYPNPTUHQKYMR-MRVPVSSYSA-N -1 0 336.394 3.866 20 0 EHADRM Cc1ccc(-c2nc(SCc3ccc(F)cc3C(=O)[O-])n[nH]2)cc1 ZINC000738494583 600058241 /nfs/dbraw/zinc/05/82/41/600058241.db2.gz PCYYXQVKOVMYNX-UHFFFAOYSA-N -1 0 343.383 3.910 20 0 EHADRM O=C([O-])c1cc(F)ccc1CSc1nnc(C2CC2)n1C1CC1 ZINC000320758913 600058504 /nfs/dbraw/zinc/05/85/04/600058504.db2.gz RROUHVOZSUTPDV-UHFFFAOYSA-N -1 0 333.388 3.620 20 0 EHADRM C/C(=C\C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c1ccccc1Cl ZINC000736119701 600059407 /nfs/dbraw/zinc/05/94/07/600059407.db2.gz BMUBKAOEUDIMEM-HVJHFUJKSA-N -1 0 343.810 3.555 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cnc(-c2ccco2)s1 ZINC000362753722 600059616 /nfs/dbraw/zinc/05/96/16/600059616.db2.gz VDMITQPGSHCFOC-UHFFFAOYSA-N -1 0 328.349 3.662 20 0 EHADRM CC/C(=C\C(=O)Oc1ccc(C(=O)[O-])cc1OC)c1ccccc1 ZINC000736833136 600059675 /nfs/dbraw/zinc/05/96/75/600059675.db2.gz AIJYLKRPJANSKX-OUKQBFOZSA-N -1 0 326.348 3.792 20 0 EHADRM CC[C@@H](CC(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000262580896 600062102 /nfs/dbraw/zinc/06/21/02/600062102.db2.gz QNXAHCHPHFUVKX-AWEZNQCLSA-N -1 0 327.380 3.672 20 0 EHADRM CC/C(=C/C(=O)NCc1ccc(OC)c(C(=O)[O-])c1)c1ccccc1 ZINC000736837316 600062196 /nfs/dbraw/zinc/06/21/96/600062196.db2.gz UYOKOJSNGSZHTK-QINSGFPZSA-N -1 0 339.391 3.503 20 0 EHADRM Cc1oc(CN(C)C(=O)C(C)(C)c2ccccc2Cl)cc1C(=O)[O-] ZINC000262072446 600069656 /nfs/dbraw/zinc/06/96/56/600069656.db2.gz DAYWGRCMEVKUQH-UHFFFAOYSA-N -1 0 349.814 3.876 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736622877 600086974 /nfs/dbraw/zinc/08/69/74/600086974.db2.gz WCPRABIGZXAMDS-SNVBAGLBSA-N -1 0 334.322 3.872 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)C2C3CC4CC(C3)CC2C4)ccc1F ZINC000740004971 600089165 /nfs/dbraw/zinc/08/91/65/600089165.db2.gz CWDZYZJHILJOQA-UHFFFAOYSA-N -1 0 332.375 3.926 20 0 EHADRM Cc1[nH]c(C(=O)CN(c2ccc(C)cc2)C(C)C)c(C)c1C(=O)[O-] ZINC000738608380 600099823 /nfs/dbraw/zinc/09/98/23/600099823.db2.gz LVXGGZUBQXPNPY-UHFFFAOYSA-N -1 0 328.412 3.736 20 0 EHADRM Cc1oc(CN2CCO[C@@H](c3ccccc3Cl)C2)cc1C(=O)[O-] ZINC000571812112 600102837 /nfs/dbraw/zinc/10/28/37/600102837.db2.gz YJAWWRPKEHAOPZ-MRXNPFEDSA-N -1 0 335.787 3.513 20 0 EHADRM O=C([O-])COC(=O)[C@@H](Sc1ccccc1Cl)c1ccccc1 ZINC000738614599 600107905 /nfs/dbraw/zinc/10/79/05/600107905.db2.gz ATQHLYTZHVQNNJ-HNNXBMFYSA-N -1 0 336.796 3.801 20 0 EHADRM CCOc1ccccc1CCC(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000737210169 600111448 /nfs/dbraw/zinc/11/14/48/600111448.db2.gz BCZBHDYSTNJAOW-UHFFFAOYSA-N -1 0 346.354 3.599 20 0 EHADRM COc1c(C)ccc(NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1C ZINC000737839482 600112743 /nfs/dbraw/zinc/11/27/43/600112743.db2.gz INPYIHREVVJBSL-UHFFFAOYSA-N -1 0 340.379 3.558 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000738841942 600114936 /nfs/dbraw/zinc/11/49/36/600114936.db2.gz VPDCKDLOJYCSQQ-UHFFFAOYSA-N -1 0 337.372 3.769 20 0 EHADRM Cc1[nH]c(C(=O)Nc2cc(F)ccc2OC(C)C)c(C)c1C(=O)[O-] ZINC000738155121 600121111 /nfs/dbraw/zinc/12/11/11/600121111.db2.gz BSXPULAYWSCXOS-UHFFFAOYSA-N -1 0 334.347 3.508 20 0 EHADRM Cc1[nH]c(C(=O)N2CCC[C@@H](c3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC000738159608 600123858 /nfs/dbraw/zinc/12/38/58/600123858.db2.gz MQXMINZHOQMCSY-MRXNPFEDSA-N -1 0 340.423 3.740 20 0 EHADRM CN(Cc1ccoc1)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000737495372 600124120 /nfs/dbraw/zinc/12/41/20/600124120.db2.gz KCYRIKQOJYKDNJ-UHFFFAOYSA-N -1 0 348.424 3.651 20 0 EHADRM Cc1cc(NC(=O)CCSc2ccc(Cl)cc2)c(C(=O)[O-])[nH]1 ZINC000387574481 600124425 /nfs/dbraw/zinc/12/44/25/600124425.db2.gz OOBXRZKFDBSWPH-UHFFFAOYSA-N -1 0 338.816 3.796 20 0 EHADRM Cc1ccc2cc(C(=O)Nc3ccc(F)c(NC(=O)[O-])c3)[nH]c2c1 ZINC000738675494 600124501 /nfs/dbraw/zinc/12/45/01/600124501.db2.gz PBXRPXAZNGCNRI-UHFFFAOYSA-N -1 0 327.315 3.958 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)c1ccc(C(F)F)cc1 ZINC000736191271 600125102 /nfs/dbraw/zinc/12/51/02/600125102.db2.gz XFVFUGQZEILMQQ-UHFFFAOYSA-N -1 0 334.274 3.744 20 0 EHADRM CCc1ccccc1NC(=O)CNc1ccc(F)c(NC(=O)[O-])c1 ZINC000737274180 600127023 /nfs/dbraw/zinc/12/70/23/600127023.db2.gz JJKOXOPVVFDGLL-UHFFFAOYSA-N -1 0 331.347 3.529 20 0 EHADRM CC[C@@](NC(=O)C[C@H](C)c1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC000485370079 600132960 /nfs/dbraw/zinc/13/29/60/600132960.db2.gz ADRQNIKXQOYHEU-XOBRGWDASA-N -1 0 343.398 3.826 20 0 EHADRM CC[C@](NC(=O)c1ccc(OC(C)C)cc1)(C(=O)[O-])c1ccccc1 ZINC000675984125 600134109 /nfs/dbraw/zinc/13/41/09/600134109.db2.gz SZPCBKCOABWXRR-HXUWFJFHSA-N -1 0 341.407 3.594 20 0 EHADRM Cc1cccc(C2(C(=O)Nc3cc(C(=O)[O-])c(F)cc3F)CC2)c1 ZINC000738687747 600141968 /nfs/dbraw/zinc/14/19/68/600141968.db2.gz UJEOJDFHSYBQTI-UHFFFAOYSA-N -1 0 331.318 3.642 20 0 EHADRM Cc1oc(CN2C[C@H](c3ccccc3)OCC2(C)C)cc1C(=O)[O-] ZINC000583446227 600144846 /nfs/dbraw/zinc/14/48/46/600144846.db2.gz UWVCHXVGXNKHJN-QGZVFWFLSA-N -1 0 329.396 3.638 20 0 EHADRM Cc1ccc2c(Cl)c(C(=O)N[C@H](C(=O)[O-])C(C)C)sc2c1 ZINC000676218018 600150384 /nfs/dbraw/zinc/15/03/84/600150384.db2.gz ZGPWXVJTCZNXIY-LBPRGKRZSA-N -1 0 325.817 3.702 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)Cc2ccc3ccccc3c2)C(=O)[O-])cc1 ZINC000486379744 600158873 /nfs/dbraw/zinc/15/88/73/600158873.db2.gz WFWRCLYAJVYERP-HXUWFJFHSA-N -1 0 347.414 3.675 20 0 EHADRM C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)C(C)(C)NC(=O)[O-])c2)C1 ZINC000736783773 600158988 /nfs/dbraw/zinc/15/89/88/600158988.db2.gz ZBZNLFOCTKQDJJ-CJNGLKHVSA-N -1 0 348.443 3.767 20 0 EHADRM C/C(=C\C(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1)c1ccc(F)cc1 ZINC000736120074 600160506 /nfs/dbraw/zinc/16/05/06/600160506.db2.gz DZDMSWJWUCQJGB-BJRSVTDJSA-N -1 0 341.382 3.522 20 0 EHADRM Cc1ccc2c(Cl)c(C(=O)N3CCC[C@@H](C(=O)[O-])C3)sc2c1 ZINC000680952770 600160542 /nfs/dbraw/zinc/16/05/42/600160542.db2.gz ILEUHSHSTQTXHR-SNVBAGLBSA-N -1 0 337.828 3.800 20 0 EHADRM CC(C)[C@H](SCc1ccccc1)C(=O)OCc1occc1C(=O)[O-] ZINC000736389862 600164031 /nfs/dbraw/zinc/16/40/31/600164031.db2.gz FZADXXFAWFQBRZ-INIZCTEOSA-N -1 0 348.420 3.979 20 0 EHADRM Cc1ccc([C@H](CNC(=O)/C=C\c2ccc(Cl)s2)C(=O)[O-])cc1 ZINC000738552997 600164841 /nfs/dbraw/zinc/16/48/41/600164841.db2.gz DOASEQSNNHLFOZ-LEJCZOIISA-N -1 0 349.839 3.708 20 0 EHADRM Cc1ccccc1-c1nc(C(=O)OCc2occc2C(=O)[O-])cs1 ZINC000738756767 600165341 /nfs/dbraw/zinc/16/53/41/600165341.db2.gz REWOWINFDKODMM-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM Cc1ccccc1-c1nc(C(=O)OCc2ccoc2C(=O)[O-])cs1 ZINC000738756447 600165429 /nfs/dbraw/zinc/16/54/29/600165429.db2.gz NGJBSCPQSDRAKY-UHFFFAOYSA-N -1 0 343.360 3.767 20 0 EHADRM CCCCN(C)c1ccc(NC(=O)[C@@H](CC(C)C)NC(=O)[O-])cc1 ZINC000736992629 600166401 /nfs/dbraw/zinc/16/64/01/600166401.db2.gz NHMSVXUCXSWQRW-MRXNPFEDSA-N -1 0 335.448 3.544 20 0 EHADRM CC(C)c1cc(C(=O)Nc2ccc(C(=O)[O-])cc2F)nn1C(C)(C)C ZINC000479494089 600166813 /nfs/dbraw/zinc/16/68/13/600166813.db2.gz BKFBNIKSXAKUTA-UHFFFAOYSA-N -1 0 347.390 3.851 20 0 EHADRM O=C([O-])c1sccc1NC(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000739486680 600169254 /nfs/dbraw/zinc/16/92/54/600169254.db2.gz CZGMAPAXTGNDKL-UHFFFAOYSA-N -1 0 330.340 3.628 20 0 EHADRM Cc1cc(C)cc([C@@H](C)NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000738363066 600173293 /nfs/dbraw/zinc/17/32/93/600173293.db2.gz ATPXQTCAIACIKU-OAHLLOKOSA-N -1 0 340.423 3.904 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](c1cccc(Cl)c1)N(C)C ZINC000738526880 600174254 /nfs/dbraw/zinc/17/42/54/600174254.db2.gz VZDXUCWOQQQWCW-MRXNPFEDSA-N -1 0 346.814 3.588 20 0 EHADRM Cc1ccc([C@H](CNC(=O)Nc2ccc(Cl)cc2C)C(=O)[O-])cc1 ZINC000738561001 600176814 /nfs/dbraw/zinc/17/68/14/600176814.db2.gz OOUNTFWBDUHBEH-HNNXBMFYSA-N -1 0 346.814 3.947 20 0 EHADRM CCN(C(=O)Nc1ccc(N(C)C(=O)[O-])cc1)[C@H](C)c1cccnc1 ZINC000737057345 600182007 /nfs/dbraw/zinc/18/20/07/600182007.db2.gz FKXFWOOWSLYDMG-CYBMUJFWSA-N -1 0 342.399 3.811 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)NCCCCCCC(=O)[O-] ZINC000736761672 600185793 /nfs/dbraw/zinc/18/57/93/600185793.db2.gz PAAGZXWNHBHANP-DOTOQJQBSA-N -1 0 332.444 3.609 20 0 EHADRM CCC[C@H](C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000236995354 600187402 /nfs/dbraw/zinc/18/74/02/600187402.db2.gz ZFRVXFOALDRXAO-INIZCTEOSA-N -1 0 342.351 3.815 20 0 EHADRM CC(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)cc1 ZINC000736193634 600191092 /nfs/dbraw/zinc/19/10/92/600191092.db2.gz XGHADOKTCXTNBQ-UHFFFAOYSA-N -1 0 343.404 3.780 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000736929525 600192488 /nfs/dbraw/zinc/19/24/88/600192488.db2.gz QCQJCLHJRXBCDX-QGZVFWFLSA-N -1 0 341.432 3.845 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)c(F)c1 ZINC000479560831 600198610 /nfs/dbraw/zinc/19/86/10/600198610.db2.gz ZVJMFOWQJIDMCE-GHMZBOCLSA-N -1 0 335.281 3.544 20 0 EHADRM Cn1cc(C(=O)Nc2ccc(C(=O)[O-])cc2F)c(C2CCCCC2)n1 ZINC000261930587 600199428 /nfs/dbraw/zinc/19/94/28/600199428.db2.gz LAMGYXQBEQJOJH-UHFFFAOYSA-N -1 0 345.374 3.557 20 0 EHADRM CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000479593807 600201709 /nfs/dbraw/zinc/20/17/09/600201709.db2.gz MJBNUEDWWZAOLX-UHFFFAOYSA-N -1 0 345.370 3.839 20 0 EHADRM O=C([O-])C1CCC(NC(=O)C2(Sc3ccccc3)CCCC2)CC1 ZINC000262148649 600201908 /nfs/dbraw/zinc/20/19/08/600201908.db2.gz PCGQNCIEVPMGTR-UHFFFAOYSA-N -1 0 347.480 3.851 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)C[C@H]1CCc2ccccc21 ZINC000736186025 600203033 /nfs/dbraw/zinc/20/30/33/600203033.db2.gz IEHQLQRHZXFJPL-CQSZACIVSA-N -1 0 338.359 3.613 20 0 EHADRM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)CC1=CCCCC1 ZINC000238112652 600203913 /nfs/dbraw/zinc/20/39/13/600203913.db2.gz XKOYCRSFIUCVQA-UHFFFAOYSA-N -1 0 337.366 3.659 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000237582850 600206539 /nfs/dbraw/zinc/20/65/39/600206539.db2.gz QFIJKCXXQOPVTR-FZCLSBEQSA-N -1 0 329.440 3.733 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)ccc1F ZINC000740081475 600206639 /nfs/dbraw/zinc/20/66/39/600206639.db2.gz PEDFTFLQJFBKQX-UWVGGRQHSA-N -1 0 335.281 3.544 20 0 EHADRM Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)c(C(=O)[O-])c1 ZINC000544406808 600207139 /nfs/dbraw/zinc/20/71/39/600207139.db2.gz GGXNAWWFSYJCBZ-WDEREUQCSA-N -1 0 331.318 3.714 20 0 EHADRM Cc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)c1C ZINC000738691500 600211198 /nfs/dbraw/zinc/21/11/98/600211198.db2.gz BSGXSFKUAHLXIK-UHFFFAOYSA-N -1 0 335.306 3.855 20 0 EHADRM C[C@H](CC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1F ZINC000192935240 600214925 /nfs/dbraw/zinc/21/49/25/600214925.db2.gz MTKFUFPQERQDBL-IUODEOHRSA-N -1 0 327.355 3.534 20 0 EHADRM Cc1ccc(SCC(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c(C)c1 ZINC000262849815 600220752 /nfs/dbraw/zinc/22/07/52/600220752.db2.gz WPEANNUYIOXOLU-HNNXBMFYSA-N -1 0 341.432 3.611 20 0 EHADRM Cc1ccc(SCCC(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000325342640 600221832 /nfs/dbraw/zinc/22/18/32/600221832.db2.gz KMXNXOGISBFRSF-MRXNPFEDSA-N -1 0 341.432 3.692 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)CCc2ccc3ccccc3c2)c2ccccc21 ZINC000192958588 600222990 /nfs/dbraw/zinc/22/29/90/600222990.db2.gz SNCJRACBECWEOS-LJQANCHMSA-N -1 0 345.398 3.987 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C2(c3cccc(Cl)c3)CC2)c2ccccc21 ZINC000739598202 600226047 /nfs/dbraw/zinc/22/60/47/600226047.db2.gz WIVUZXVBYZDIBJ-OAHLLOKOSA-N -1 0 341.794 3.587 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000736492826 600228458 /nfs/dbraw/zinc/22/84/58/600228458.db2.gz KAIFCPJTGHGXAB-UHFFFAOYSA-N -1 0 344.367 3.581 20 0 EHADRM CCC(=O)Nc1ccc(NC(=O)Nc2cccc(NC(=O)[O-])c2)cc1 ZINC000736846620 600229505 /nfs/dbraw/zinc/22/95/05/600229505.db2.gz IABBVWPUSMTWQX-UHFFFAOYSA-N -1 0 342.355 3.769 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(C(=O)[O-])c(C)c2)o1 ZINC000738583085 600242312 /nfs/dbraw/zinc/24/23/12/600242312.db2.gz NLJHOKLKJJDAEU-HNNXBMFYSA-N -1 0 328.368 3.964 20 0 EHADRM O=C([O-])COc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000034797875 600243382 /nfs/dbraw/zinc/24/33/82/600243382.db2.gz HKTPACLDXTZXMQ-UHFFFAOYSA-N -1 0 330.727 3.520 20 0 EHADRM C[C@H](Oc1ccccc1F)c1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000736709855 600245786 /nfs/dbraw/zinc/24/57/86/600245786.db2.gz XIGYUZAUSVBAGL-JTQLQIEISA-N -1 0 328.299 3.714 20 0 EHADRM Cc1ccccc1-n1cc(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)cn1 ZINC000738756759 600246327 /nfs/dbraw/zinc/24/63/27/600246327.db2.gz QXJWUQRDHVEYTJ-UHFFFAOYSA-N -1 0 346.346 3.596 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)CCc1ccc(C)c(Cl)c1 ZINC000738085283 600247724 /nfs/dbraw/zinc/24/77/24/600247724.db2.gz MJANTZNMYGOAFR-UHFFFAOYSA-N -1 0 348.782 3.893 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)CCc1cccc(Cl)c1 ZINC000738083597 600248544 /nfs/dbraw/zinc/24/85/44/600248544.db2.gz DQFLTHOVLSMCGZ-UHFFFAOYSA-N -1 0 334.755 3.585 20 0 EHADRM O=C([O-])NCCC(=O)Nc1cccc(CSC2CCCCC2)c1 ZINC000738655144 600252650 /nfs/dbraw/zinc/25/26/50/600252650.db2.gz IUSNIXUCCYICMK-UHFFFAOYSA-N -1 0 336.457 3.849 20 0 EHADRM CC[C@H](C)[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC000326896241 600254249 /nfs/dbraw/zinc/25/42/49/600254249.db2.gz HVCOFTPLQQILKH-SNRMKQJTSA-N -1 0 339.435 3.628 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C\C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC000736890887 600256451 /nfs/dbraw/zinc/25/64/51/600256451.db2.gz JRSDNLXVFTYKBB-ASCRHOAZSA-N -1 0 342.395 3.851 20 0 EHADRM Cc1oc(COC(=O)c2cc3c(cc(F)cc3C)[nH]2)cc1C(=O)[O-] ZINC000738981356 600268383 /nfs/dbraw/zinc/26/83/83/600268383.db2.gz JRUMUOKMIJJWDW-UHFFFAOYSA-N -1 0 331.299 3.572 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1C(=O)OCc1ccc(Oc2ccccc2F)c(F)c1 ZINC000739555682 600269936 /nfs/dbraw/zinc/26/99/36/600269936.db2.gz FIHQGVLYRKDZMD-VXGBXAGGSA-N -1 0 348.301 3.521 20 0 EHADRM O=C([O-])[C@H](OC(=O)CCc1cc(Cl)cs1)c1ccc(F)cc1 ZINC000739252903 600272564 /nfs/dbraw/zinc/27/25/64/600272564.db2.gz XVTQSKKUKJVAGV-CQSZACIVSA-N -1 0 342.775 3.842 20 0 EHADRM Cc1ccc(C(=O)CSc2nc3ccc(C(=O)[O-])cc3o2)s1 ZINC000738505156 600275789 /nfs/dbraw/zinc/27/57/89/600275789.db2.gz VTKOKVHAERCGKU-UHFFFAOYSA-N -1 0 333.390 3.871 20 0 EHADRM CCc1ccc(CCNC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)cc1 ZINC000737260225 600276076 /nfs/dbraw/zinc/27/60/76/600276076.db2.gz FSIXBKBJEXOCJW-UHFFFAOYSA-N -1 0 341.411 3.727 20 0 EHADRM C[C@H](Sc1nc2ccc(C(=O)[O-])cc2o1)c1nc(C2CC2)no1 ZINC000736719674 600276635 /nfs/dbraw/zinc/27/66/35/600276635.db2.gz ZIOSEJPHWYCCBY-ZETCQYMHSA-N -1 0 331.353 3.640 20 0 EHADRM Cc1ccccc1NC(=O)CSc1nc2ccc(C(=O)[O-])cc2o1 ZINC000738776794 600277226 /nfs/dbraw/zinc/27/72/26/600277226.db2.gz ANBOBAWVOUELGO-UHFFFAOYSA-N -1 0 342.376 3.565 20 0 EHADRM COC(=O)c1ccc2nc(SCc3cc(C(=O)[O-])c(C)o3)oc2c1 ZINC000737708698 600278575 /nfs/dbraw/zinc/27/85/75/600278575.db2.gz OIFAXYFJTAAHJU-UHFFFAOYSA-N -1 0 347.348 3.506 20 0 EHADRM Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c(C)n1C(C)C ZINC000192943187 600278822 /nfs/dbraw/zinc/27/88/22/600278822.db2.gz HKBNCTUWRXPCSL-MRXNPFEDSA-N -1 0 326.396 3.514 20 0 EHADRM CCOc1ccccc1CNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000737212328 600282330 /nfs/dbraw/zinc/28/23/30/600282330.db2.gz YDNMBJPQUXVLGO-UHFFFAOYSA-N -1 0 348.786 3.759 20 0 EHADRM CC(C)COc1ccc(C(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000736445792 600290669 /nfs/dbraw/zinc/29/06/69/600290669.db2.gz KSLALTKAXHFUFH-UHFFFAOYSA-N -1 0 342.395 3.741 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000739983417 600292139 /nfs/dbraw/zinc/29/21/39/600292139.db2.gz AWRPXULSPMTZGV-RYUDHWBXSA-N -1 0 344.333 3.761 20 0 EHADRM Cc1cc(C)cc(C2(C(=O)Nc3ccc(CNC(=O)[O-])cc3)CC2)c1 ZINC000738364021 600297495 /nfs/dbraw/zinc/29/74/95/600297495.db2.gz QPLNBCUTZFOVOS-UHFFFAOYSA-N -1 0 338.407 3.741 20 0 EHADRM CC(C)(CNC(=O)c1cccc(NC(=O)[O-])c1)Cc1ccccc1 ZINC000736325200 600298088 /nfs/dbraw/zinc/29/80/88/600298088.db2.gz ZHDQTBJEBDERDS-UHFFFAOYSA-N -1 0 326.396 3.775 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(C(=O)N(C)C[C@@H](C)C(=O)[O-])cc1F ZINC000237580262 600304356 /nfs/dbraw/zinc/30/43/56/600304356.db2.gz OFIWTJKDQLCYCU-GFCCVEGCSA-N -1 0 347.361 3.733 20 0 EHADRM CC[C@H](Nc1ccccc1)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736923842 600305353 /nfs/dbraw/zinc/30/53/53/600305353.db2.gz KGMJNVSKUMBHDB-KRWDZBQOSA-N -1 0 341.411 3.626 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cc2ccccc2[nH]1)c1cccc(Cl)c1 ZINC000740289170 600320926 /nfs/dbraw/zinc/32/09/26/600320926.db2.gz DRASXVHOSHPSSS-OAHLLOKOSA-N -1 0 329.739 3.804 20 0 EHADRM CC(=O)c1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)s1 ZINC000736191266 600322325 /nfs/dbraw/zinc/32/23/25/600322325.db2.gz ADXWHKNGYYRAAO-ZDUSSCGKSA-N -1 0 338.768 3.587 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cccc(F)c1F)c1cccc(Cl)c1 ZINC000740299021 600329234 /nfs/dbraw/zinc/32/92/34/600329234.db2.gz MKRLIHHQAIOFPJ-CYBMUJFWSA-N -1 0 326.682 3.601 20 0 EHADRM Cc1ccc(CNC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cc1F ZINC000738601327 600329207 /nfs/dbraw/zinc/32/92/07/600329207.db2.gz CEYDERIOKAKXFE-UHFFFAOYSA-N -1 0 345.374 3.566 20 0 EHADRM C[C@H](C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1)c1ccccc1F ZINC000736227572 600329647 /nfs/dbraw/zinc/32/96/47/600329647.db2.gz VUFPWUYNWWRLDL-ZUZCIYMTSA-N -1 0 336.746 3.952 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@H]1CCc2ccccc21)c1cccc(Cl)c1 ZINC000740291011 600330026 /nfs/dbraw/zinc/33/00/26/600330026.db2.gz KZXVUYOMHUCBBZ-JKSUJKDBSA-N -1 0 330.767 3.739 20 0 EHADRM CC(C)(C)c1ccc(NC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000405350379 600333055 /nfs/dbraw/zinc/33/30/55/600333055.db2.gz BMGHHQJTFTUPIF-OAHLLOKOSA-N -1 0 330.428 3.703 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)Oc1ccccc1 ZINC000736599686 600335516 /nfs/dbraw/zinc/33/55/16/600335516.db2.gz YTYNMDAQSOABEP-LLVKDONJSA-N -1 0 348.786 3.627 20 0 EHADRM CSCc1ccc(NC(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000738194503 600339509 /nfs/dbraw/zinc/33/95/09/600339509.db2.gz AONJJDXUWRYMKE-UHFFFAOYSA-N -1 0 345.424 3.961 20 0 EHADRM C[C@H]1CCC[C@H](N(C)C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C1 ZINC000736773547 600340450 /nfs/dbraw/zinc/34/04/50/600340450.db2.gz BGMZWGXDZQFSKU-BBRMVZONSA-N -1 0 333.432 3.839 20 0 EHADRM C[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736781998 600343575 /nfs/dbraw/zinc/34/35/75/600343575.db2.gz BNQOVZWLXIGVBL-BBRMVZONSA-N -1 0 333.432 3.839 20 0 EHADRM CCc1ccc([C@@H](C)NC(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000737259298 600351079 /nfs/dbraw/zinc/35/10/79/600351079.db2.gz OFVGYCZRCGDXLU-CYBMUJFWSA-N -1 0 341.411 3.899 20 0 EHADRM C[C@H](c1ccccc1)N(C)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736724803 600352032 /nfs/dbraw/zinc/35/20/32/600352032.db2.gz PRROCRJQLFWRQQ-CYBMUJFWSA-N -1 0 327.384 3.679 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)N2CCC[C@@H]2c2ccccc2)cc1 ZINC000739989833 600356013 /nfs/dbraw/zinc/35/60/13/600356013.db2.gz ZKXIDNKUDUWILS-QGZVFWFLSA-N -1 0 339.395 3.823 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)CC/C=C\c2ccccc2)c1 ZINC000737939432 600368205 /nfs/dbraw/zinc/36/82/05/600368205.db2.gz IIKBCGFLIZKOOB-UITAMQMPSA-N -1 0 326.348 3.792 20 0 EHADRM Cc1cc(NC(=O)CCCOCCc2ccccc2)sc1C(=O)[O-] ZINC000738421242 600368857 /nfs/dbraw/zinc/36/88/57/600368857.db2.gz LQJQGQZGESWOGW-UHFFFAOYSA-N -1 0 347.436 3.733 20 0 EHADRM Cc1cc(NC(=O)Cc2c[nH]c3cc(F)ccc23)sc1C(=O)[O-] ZINC000738432168 600371239 /nfs/dbraw/zinc/37/12/39/600371239.db2.gz YCQRIEPGGADXNT-UHFFFAOYSA-N -1 0 332.356 3.556 20 0 EHADRM Cc1cc(NC(=O)c2cc(-c3ccc(C)cc3)no2)sc1C(=O)[O-] ZINC000738487560 600373046 /nfs/dbraw/zinc/37/30/46/600373046.db2.gz AKSZWUMBGLWYAE-UHFFFAOYSA-N -1 0 342.376 3.970 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CC/C=C\c1ccccc1)c1cccs1 ZINC000675949710 600373777 /nfs/dbraw/zinc/37/37/77/600373777.db2.gz MUWADLLLTBQXRK-NOKKCYSASA-N -1 0 329.421 3.874 20 0 EHADRM CC[C@@H](CC(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccc(C)cc1 ZINC000236934778 600374676 /nfs/dbraw/zinc/37/46/76/600374676.db2.gz KJWHDOJLZNVCIH-HNNXBMFYSA-N -1 0 341.407 3.981 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)c1ccsc1 ZINC000262390092 600376788 /nfs/dbraw/zinc/37/67/88/600376788.db2.gz KIDIMHQRHLFLGS-NSHDSACASA-N -1 0 333.409 3.976 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)Cc1c[nH]c2ccccc12)c1ccccc1 ZINC000736853994 600378986 /nfs/dbraw/zinc/37/89/86/600378986.db2.gz WLIMVRUXMDMKAZ-GOSISDBHSA-N -1 0 336.391 3.607 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1cc(Cl)ccc1F)c1ccccc1 ZINC000736854122 600379835 /nfs/dbraw/zinc/37/98/35/600379835.db2.gz XIKKNSXNROILER-HNNXBMFYSA-N -1 0 335.762 3.989 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)c1ccc(OC2CCCCC2)cc1)C(=O)[O-] ZINC000736872993 600380453 /nfs/dbraw/zinc/38/04/53/600380453.db2.gz NPIHPMSFWILNLD-DYVFJYSZSA-N -1 0 333.428 3.627 20 0 EHADRM COc1ccc2cc([C@H](C)C(=O)NC(C)(C)CCC(=O)[O-])ccc2c1 ZINC000237320949 600380918 /nfs/dbraw/zinc/38/09/18/600380918.db2.gz FJOUGCFJHJOILC-ZDUSSCGKSA-N -1 0 343.423 3.712 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)NC[C@@H]2CCc3ccccc32)c1 ZINC000740043020 600381511 /nfs/dbraw/zinc/38/15/11/600381511.db2.gz NUGCOBAMHOLEHQ-ZDUSSCGKSA-N -1 0 325.368 3.628 20 0 EHADRM C[C@H](CN(C(=O)c1ccc(OC2CCCCC2)cc1)C1CC1)C(=O)[O-] ZINC000237381651 600383016 /nfs/dbraw/zinc/38/30/16/600383016.db2.gz LUXYWLISRVZMFC-CQSZACIVSA-N -1 0 345.439 3.723 20 0 EHADRM CN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000315411368 600385086 /nfs/dbraw/zinc/38/50/86/600385086.db2.gz VUIYESSWUMAITQ-UHFFFAOYSA-N -1 0 342.779 3.903 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1ccc(OC)cc1Cl)c1ccccc1 ZINC000736849894 600386499 /nfs/dbraw/zinc/38/64/99/600386499.db2.gz BBVYLPWTXVBGIY-INIZCTEOSA-N -1 0 347.798 3.859 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)CCCc1cccs1)c1ccccc1 ZINC000736846250 600389445 /nfs/dbraw/zinc/38/94/45/600389445.db2.gz FASYOKYIKCDAFI-MRXNPFEDSA-N -1 0 331.437 3.967 20 0 EHADRM C[C@@H]1c2ccc(F)cc2CCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000678992164 600389752 /nfs/dbraw/zinc/38/97/52/600389752.db2.gz MLPWMQUVMMENHZ-CYBMUJFWSA-N -1 0 341.382 3.602 20 0 EHADRM C[C@H](NC(=O)c1cccc(C(=O)[O-])n1)c1cccc(Cl)c1Cl ZINC000362532992 600390539 /nfs/dbraw/zinc/39/05/39/600390539.db2.gz KNPSFZRZISLCOK-QMMMGPOBSA-N -1 0 339.178 3.578 20 0 EHADRM Cc1noc(C)c1C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000262232020 600390737 /nfs/dbraw/zinc/39/07/37/600390737.db2.gz VKOVIQBDPJQBSB-OAHLLOKOSA-N -1 0 344.411 3.535 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)/C=C\c2ccco2)cc1 ZINC000736296428 600391530 /nfs/dbraw/zinc/39/15/30/600391530.db2.gz CVNUHSZRGHFZRG-MQNTZWLQSA-N -1 0 341.407 3.923 20 0 EHADRM Cc1ccccc1C[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000738770378 600396372 /nfs/dbraw/zinc/39/63/72/600396372.db2.gz ZZAGIUWSEMIEAW-LBPRGKRZSA-N -1 0 330.359 3.585 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000236952088 600398716 /nfs/dbraw/zinc/39/87/16/600398716.db2.gz IOPDJQGNGKEFDH-RWSFTLGLSA-N -1 0 345.361 3.815 20 0 EHADRM CC[C@@H](CC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccc(C)cc1 ZINC000262505169 600399961 /nfs/dbraw/zinc/39/99/61/600399961.db2.gz ZGUMKNWWEHRHLN-RDJZCZTQSA-N -1 0 329.440 3.592 20 0 EHADRM CSc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000738213742 600402500 /nfs/dbraw/zinc/40/25/00/600402500.db2.gz PBRKXFSVZAGFJH-UHFFFAOYSA-N -1 0 334.372 3.568 20 0 EHADRM CC(C)(C)/C=C\C(=O)Oc1ccc(C(=O)[O-])cc1Br ZINC000736251751 600404505 /nfs/dbraw/zinc/40/45/05/600404505.db2.gz TZMSKROWYYAXSH-SREVYHEPSA-N -1 0 327.174 3.655 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)Nc2ccc(CC(=O)[O-])cc2)s1 ZINC000347103255 600404696 /nfs/dbraw/zinc/40/46/96/600404696.db2.gz IVRGPMXYCHNAMJ-UHFFFAOYSA-N -1 0 341.335 3.537 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)[C@H](C)CC1CCCC1 ZINC000737873152 600405212 /nfs/dbraw/zinc/40/52/12/600405212.db2.gz QMVMLURTHSXIBT-AORWBKJGSA-N -1 0 332.396 3.915 20 0 EHADRM O=C([O-])CCCCCCNC(=O)N[C@@H]1CCC[C@H]1c1ccccc1 ZINC000739666826 600411224 /nfs/dbraw/zinc/41/12/24/600411224.db2.gz WSXZIHKRFXOSDW-DLBZAZTESA-N -1 0 332.444 3.657 20 0 EHADRM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC000348437523 600415284 /nfs/dbraw/zinc/41/52/84/600415284.db2.gz NMARQCWZUSFAFH-KSSFIOAISA-N -1 0 338.407 3.702 20 0 EHADRM O=C([O-])c1coc(-c2csc(Nc3ccc4c(c3)OCO4)n2)c1 ZINC000740255950 600416939 /nfs/dbraw/zinc/41/69/39/600416939.db2.gz BTYZEUBTWREBJY-UHFFFAOYSA-N -1 0 330.321 3.574 20 0 EHADRM CC(C)C(=O)Nc1ccc(N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000736346937 600417116 /nfs/dbraw/zinc/41/71/16/600417116.db2.gz DEFXVQKFJMEINJ-MRXNPFEDSA-N -1 0 330.359 3.658 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C/C(=O)NC(C)(C)CCC(=O)[O-] ZINC000236916872 600417962 /nfs/dbraw/zinc/41/79/62/600417962.db2.gz YXSHCCMEXHBXJF-PLSXKVAHSA-N -1 0 333.428 3.637 20 0 EHADRM O=C([O-])[C@@H](Nc1ccc2c(c1)NC(=O)CS2)c1cccc(Cl)c1 ZINC000740306869 600420314 /nfs/dbraw/zinc/42/03/14/600420314.db2.gz HLTZSATVKHAPQE-HNNXBMFYSA-N -1 0 348.811 3.622 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000736616920 600421642 /nfs/dbraw/zinc/42/16/42/600421642.db2.gz DESSLNWBLUNJOU-ZDUSSCGKSA-N -1 0 330.405 3.648 20 0 EHADRM CN(c1ccccc1)c1ccccc1C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC000737505655 600425681 /nfs/dbraw/zinc/42/56/81/600425681.db2.gz DJWGDRBKHZVJBW-UHFFFAOYSA-N -1 0 347.374 3.800 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736624750 600427448 /nfs/dbraw/zinc/42/74/48/600427448.db2.gz AFPAWWLGUOBKAN-LLVKDONJSA-N -1 0 349.333 3.804 20 0 EHADRM CCOC(=O)N(C)c1ccc(N[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000737145486 600427538 /nfs/dbraw/zinc/42/75/38/600427538.db2.gz YIJNMCSGCPCZLU-INIZCTEOSA-N -1 0 328.368 3.517 20 0 EHADRM O=C([O-])[C@@H](NCc1sccc1Br)c1ccc(F)cc1 ZINC000426766047 600430507 /nfs/dbraw/zinc/43/05/07/600430507.db2.gz VTHZAVYHMXTILW-LBPRGKRZSA-N -1 0 344.205 3.565 20 0 EHADRM CC(C)[C@@H](SCc1ccccc1)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC000736389854 600432788 /nfs/dbraw/zinc/43/27/88/600432788.db2.gz FTVOHYOXSJWCGW-MRXNPFEDSA-N -1 0 344.436 3.676 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)Cc2ccc(-c3ccccc3)cc2)c1 ZINC000739341895 600435447 /nfs/dbraw/zinc/43/54/47/600435447.db2.gz QLJNUVKVHJEWBZ-UHFFFAOYSA-N -1 0 332.359 3.628 20 0 EHADRM O=C([O-])c1cc(OCc2ccc(F)cc2Cl)ccc1[N+](=O)[O-] ZINC000318796241 600441237 /nfs/dbraw/zinc/44/12/37/600441237.db2.gz RHBFPYXKNLXFOG-UHFFFAOYSA-N -1 0 325.679 3.665 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 ZINC000740289929 600444396 /nfs/dbraw/zinc/44/43/96/600444396.db2.gz HRFMUYFMVWZZRX-CYBMUJFWSA-N -1 0 342.244 3.827 20 0 EHADRM Cc1[nH]c2ccccc2c1C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738246460 600446359 /nfs/dbraw/zinc/44/63/59/600446359.db2.gz HQRCDQOTTRTEEV-MRXNPFEDSA-N -1 0 327.311 3.598 20 0 EHADRM Cc1[nH]c2ccccc2c1C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738246458 600446536 /nfs/dbraw/zinc/44/65/36/600446536.db2.gz HQRCDQOTTRTEEV-INIZCTEOSA-N -1 0 327.311 3.598 20 0 EHADRM Cc1ccc2[nH]c(C(=O)O[C@@H](C(=O)[O-])c3ccc(F)cc3)cc2c1 ZINC000738667138 600447587 /nfs/dbraw/zinc/44/75/87/600447587.db2.gz CYEMJHKGVKXEEP-MRXNPFEDSA-N -1 0 327.311 3.598 20 0 EHADRM O=C([O-])[C@@H](OC(=O)CCn1ccc2ccccc21)c1ccc(F)cc1 ZINC000739268578 600448421 /nfs/dbraw/zinc/44/84/21/600448421.db2.gz MIWWYHFJXDDSRJ-SFHVURJKSA-N -1 0 341.338 3.540 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1ccc(-n2cccc2)cc1)c1ccc(F)cc1 ZINC000740294387 600448843 /nfs/dbraw/zinc/44/88/43/600448843.db2.gz YIINCICUICDDFA-KRWDZBQOSA-N -1 0 339.322 3.599 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cc(F)c(F)cc1Cl)c1ccc(F)cc1 ZINC000740291591 600449665 /nfs/dbraw/zinc/44/96/65/600449665.db2.gz MKDXNFRKNKHDDK-CYBMUJFWSA-N -1 0 344.672 3.740 20 0 EHADRM C[C@H]1CCCC[C@@H]1CCNC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000736780960 600451283 /nfs/dbraw/zinc/45/12/83/600451283.db2.gz MRGOVTODUPVSIM-GOEBONIOSA-N -1 0 332.444 3.743 20 0 EHADRM CC[C@H]1c2ccccc2CCN1C(=O)NCCCCCCC(=O)[O-] ZINC000736950758 600456405 /nfs/dbraw/zinc/45/64/05/600456405.db2.gz QWCAMWSBEWDIPM-KRWDZBQOSA-N -1 0 332.444 3.741 20 0 EHADRM CC(C)[C@@H](OC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000736622891 600467577 /nfs/dbraw/zinc/46/75/77/600467577.db2.gz WLCRLWRKAOBOCI-GXFFZTMASA-N -1 0 332.318 3.536 20 0 EHADRM CC(C)[C@H](OC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000736622890 600467739 /nfs/dbraw/zinc/46/77/39/600467739.db2.gz WLCRLWRKAOBOCI-GWCFXTLKSA-N -1 0 332.318 3.536 20 0 EHADRM C[C@@H]1C[C@H](CC(=O)N(C)c2nc(CC(=O)[O-])cs2)CC(C)(C)C1 ZINC000736755640 600468239 /nfs/dbraw/zinc/46/82/39/600468239.db2.gz OIFYIILYPHXPDV-VXGBXAGGSA-N -1 0 338.473 3.586 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000261642045 600472030 /nfs/dbraw/zinc/47/20/30/600472030.db2.gz IMKFGAOYHLZLPH-CQSZACIVSA-N -1 0 340.379 3.807 20 0 EHADRM Cc1cc(NC(=O)c2ccccc2OC2CCC2)ccc1C(=O)[O-] ZINC000676034348 600475832 /nfs/dbraw/zinc/47/58/32/600475832.db2.gz DEKALWYSIKGBNM-UHFFFAOYSA-N -1 0 325.364 3.877 20 0 EHADRM CC(C)c1ccc(SCC(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000262142176 600476245 /nfs/dbraw/zinc/47/62/45/600476245.db2.gz MFKVOQZPDSCXJU-UHFFFAOYSA-N -1 0 333.409 3.510 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@H]1CSc2ccccc21)c1ccccc1 ZINC000736850332 600476300 /nfs/dbraw/zinc/47/63/00/600476300.db2.gz VRKGYEKKJJDSEN-HOTGVXAUSA-N -1 0 341.432 3.772 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)o1 ZINC000345907514 600477415 /nfs/dbraw/zinc/47/74/15/600477415.db2.gz OSFAXASIJKBCFG-IAGOWNOFSA-N -1 0 335.359 3.551 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cc2ccc3c(c2)CCC3)cc1Cl ZINC000194062183 600478450 /nfs/dbraw/zinc/47/84/50/600478450.db2.gz NWSOFAONVDQBRI-UHFFFAOYSA-N -1 0 329.783 3.708 20 0 EHADRM CC[C@H](c1ccncc1)N(C)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000736930381 600479016 /nfs/dbraw/zinc/47/90/16/600479016.db2.gz UVCJOYLCDPLLKJ-MRXNPFEDSA-N -1 0 342.399 3.811 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)CSc2ccc3ccccc3c2)o1 ZINC000238110504 600479149 /nfs/dbraw/zinc/47/91/49/600479149.db2.gz RJEJRMMFIAYAPN-UHFFFAOYSA-N -1 0 341.388 3.540 20 0 EHADRM C[C@H](C(=O)Nc1ccc(OCCCC(=O)[O-])cc1)c1ccccc1F ZINC000237457763 600480644 /nfs/dbraw/zinc/48/06/44/600480644.db2.gz IGKRSBFWZUXFTI-ZDUSSCGKSA-N -1 0 345.370 3.812 20 0 EHADRM C[C@@H]1SCCN(C(=O)c2cccc(C(=O)[O-])c2)[C@H]1c1ccccc1 ZINC000237386948 600481195 /nfs/dbraw/zinc/48/11/95/600481195.db2.gz DYXDDJLHTBZCCQ-SUMWQHHRSA-N -1 0 341.432 3.704 20 0 EHADRM C/C(=C/C(=O)Nc1ccc(OCCCC(=O)[O-])cc1)c1ccccc1 ZINC000236675332 600482155 /nfs/dbraw/zinc/48/21/55/600482155.db2.gz UZQUSXFSRQOHKL-PFONDFGASA-N -1 0 339.391 3.972 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c(Cl)n1 ZINC000738520192 600483570 /nfs/dbraw/zinc/48/35/70/600483570.db2.gz MGUOVQRVFGQAMF-UHFFFAOYSA-N -1 0 348.786 3.539 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000736903717 600490246 /nfs/dbraw/zinc/49/02/46/600490246.db2.gz LJFHREQLGBAUHJ-OAHLLOKOSA-N -1 0 329.396 3.514 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)NCCCCCCC(=O)[O-])C1 ZINC000738319908 600490300 /nfs/dbraw/zinc/49/03/00/600490300.db2.gz HWQIYKBWXBUVLA-DLBZAZTESA-N -1 0 346.471 3.918 20 0 EHADRM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736394909 600494772 /nfs/dbraw/zinc/49/47/72/600494772.db2.gz LENDQRSVJLAZFM-IRXDYDNUSA-N -1 0 347.459 3.833 20 0 EHADRM CC(C)(NC(=O)NC1CCC(C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000263439968 600494877 /nfs/dbraw/zinc/49/48/77/600494877.db2.gz DIVOLVMLSMFTGV-UHFFFAOYSA-N -1 0 338.835 3.518 20 0 EHADRM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)NC2CCC(C(=O)[O-])CC2)C1 ZINC000263477452 600495576 /nfs/dbraw/zinc/49/55/76/600495576.db2.gz MZKWUQRJFPLCDX-GYXIZQIFSA-N -1 0 344.455 3.526 20 0 EHADRM Cc1cc(C(=O)NCc2ccc(C(=O)[O-])o2)c(C)n1C1CCCCC1 ZINC000262088595 600497130 /nfs/dbraw/zinc/49/71/30/600497130.db2.gz CEKITCXXEUHOIC-UHFFFAOYSA-N -1 0 344.411 3.831 20 0 EHADRM CC(C)[C@@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccccc1Cl ZINC000263152642 600497515 /nfs/dbraw/zinc/49/75/15/600497515.db2.gz BFHZGHZSUYHZST-IUODEOHRSA-N -1 0 338.835 3.543 20 0 EHADRM Cc1ccc([C@@H](C)CNC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000738551600 600501018 /nfs/dbraw/zinc/50/10/18/600501018.db2.gz KZCMVOPIIQVOAL-AWEZNQCLSA-N -1 0 338.407 3.522 20 0 EHADRM O=C([O-])[C@H](Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1ccccc1 ZINC000738523333 600502503 /nfs/dbraw/zinc/50/25/03/600502503.db2.gz AWZNQLUUWAHZCO-GUDVDZBRSA-N -1 0 341.407 3.607 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@H]1CSc2ccccc21)c1cccc(Cl)c1 ZINC000740288414 600505462 /nfs/dbraw/zinc/50/54/62/600505462.db2.gz AAIGSKCKQVWMTF-DZGCQCFKSA-N -1 0 348.807 3.898 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(C(=O)[O-])cc1)c1cccc(F)c1 ZINC000736322111 600505608 /nfs/dbraw/zinc/50/56/08/600505608.db2.gz PDDMKGOBVPAGFA-UHFFFAOYSA-N -1 0 330.359 3.623 20 0 EHADRM Cc1c(NC(=O)NCC(C)(C)c2cccc(F)c2)cccc1C(=O)[O-] ZINC000738304775 600506147 /nfs/dbraw/zinc/50/61/47/600506147.db2.gz UOGLNYHLXBBTBR-UHFFFAOYSA-N -1 0 344.386 3.932 20 0 EHADRM CC(C)(C)n1cc(NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cn1 ZINC000736305615 600509711 /nfs/dbraw/zinc/50/97/11/600509711.db2.gz IXAWRLZIAHMBOP-UHFFFAOYSA-N -1 0 336.779 3.634 20 0 EHADRM CC(C)CO[C@@H]1C[C@H](OC(=O)c2ccc(NC(=O)[O-])cc2)C1(C)C ZINC000736445177 600511596 /nfs/dbraw/zinc/51/15/96/600511596.db2.gz ZEJZRTNIJJADQV-CABCVRRESA-N -1 0 335.400 3.773 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)Nc1ccc(CC(=O)[O-])cc1)C1CC1 ZINC000738757491 600513036 /nfs/dbraw/zinc/51/30/36/600513036.db2.gz AUOOENDAFFXFLR-IBGZPJMESA-N -1 0 338.407 3.895 20 0 EHADRM O=C([O-])c1cccn2cc(COc3c(Cl)cccc3Cl)nc12 ZINC000740242129 600519613 /nfs/dbraw/zinc/51/96/13/600519613.db2.gz RDWNVRXOFDICGV-UHFFFAOYSA-N -1 0 337.162 3.918 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1sc2ccccc2c1Cl)C(=O)[O-] ZINC000035390026 600522161 /nfs/dbraw/zinc/52/21/61/600522161.db2.gz YMTKCZXBKCCQOB-GFCCVEGCSA-N -1 0 325.817 3.784 20 0 EHADRM O=C([O-])CCCCCCNC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000263122148 600522511 /nfs/dbraw/zinc/52/25/11/600522511.db2.gz KRWOEWDOIVUXOW-UHFFFAOYSA-N -1 0 336.819 3.515 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000236715502 600522549 /nfs/dbraw/zinc/52/25/49/600522549.db2.gz VJUFKQTYNAEKHK-LJQANCHMSA-N -1 0 339.435 3.558 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000736358755 600522567 /nfs/dbraw/zinc/52/25/67/600522567.db2.gz NZHGFAFOFBSCMD-HNNXBMFYSA-N -1 0 329.371 3.977 20 0 EHADRM Cc1cccc([C@@H](C)C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000362436998 600524995 /nfs/dbraw/zinc/52/49/95/600524995.db2.gz MUUFRWMRIZOPEE-CXAGYDPISA-N -1 0 329.371 3.570 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736359168 600528050 /nfs/dbraw/zinc/52/80/50/600528050.db2.gz VRAFRAWDPJAPHZ-SFHVURJKSA-N -1 0 340.423 3.908 20 0 EHADRM CCN(C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1ccccc1C(=O)[O-] ZINC000737052545 600532121 /nfs/dbraw/zinc/53/21/21/600532121.db2.gz KTFMRKFLADUSKT-CVEARBPZSA-N -1 0 327.355 3.681 20 0 EHADRM CC(C)(C)[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000675985982 600532815 /nfs/dbraw/zinc/53/28/15/600532815.db2.gz VMLRMJDITCHZCD-NTZNESFSSA-N -1 0 344.238 3.712 20 0 EHADRM C[C@@H]1CCC[C@@H](OCC(=O)Oc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000736777945 600533133 /nfs/dbraw/zinc/53/31/33/600533133.db2.gz DXRVKAJBLHBEIF-ZYHUDNBSSA-N -1 0 326.776 3.539 20 0 EHADRM COc1ccccc1CC(C)(C)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000738125231 600534876 /nfs/dbraw/zinc/53/48/76/600534876.db2.gz YXAURVDTZXFTAF-UHFFFAOYSA-N -1 0 342.395 3.993 20 0 EHADRM C[C@]1(NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)CCCc2ccccc21 ZINC000736738247 600541536 /nfs/dbraw/zinc/54/15/36/600541536.db2.gz IUKDSPCQRUOGAY-IBGZPJMESA-N -1 0 342.370 3.897 20 0 EHADRM C[C@@H]1CCC[C@@H](OCC(=O)Oc2cc(Cl)ccc2C(=O)[O-])C1 ZINC000736782776 600549535 /nfs/dbraw/zinc/54/95/35/600549535.db2.gz WKZWMIFUMCLPPQ-ZYHUDNBSSA-N -1 0 326.776 3.539 20 0 EHADRM Cc1sc(NC(=O)CO[C@@H]2CCCC[C@H]2C)c(C(=O)[O-])c1C ZINC000738997593 600551258 /nfs/dbraw/zinc/55/12/58/600551258.db2.gz QWRWFPOBEIGRCP-BXKDBHETSA-N -1 0 325.430 3.597 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)N(CCC(=O)[O-])C(C)C ZINC000736930116 600560525 /nfs/dbraw/zinc/56/05/25/600560525.db2.gz WJPNPIJYEHDNJP-INIZCTEOSA-N -1 0 335.444 3.679 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000736466033 600562893 /nfs/dbraw/zinc/56/28/93/600562893.db2.gz YZIRFPMGLSILTM-UHFFFAOYSA-N -1 0 345.370 3.943 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)CCCSc1ccc(Cl)cc1 ZINC000236727079 600562974 /nfs/dbraw/zinc/56/29/74/600562974.db2.gz RXQVSMMSENQRTG-UHFFFAOYSA-N -1 0 343.876 3.924 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)c3ccccc3NC(=O)[O-])cc2)co1 ZINC000738828776 600568349 /nfs/dbraw/zinc/56/83/49/600568349.db2.gz CSXVOBOGVGGCEV-UHFFFAOYSA-N -1 0 337.335 3.992 20 0 EHADRM O=C([O-])c1ccc(OC(=O)Cc2c[nH]c3ccc(F)cc23)c(Cl)c1 ZINC000739339535 600569691 /nfs/dbraw/zinc/56/96/91/600569691.db2.gz YJEARRSITYUMDH-UHFFFAOYSA-N -1 0 347.729 3.807 20 0 EHADRM CCc1cccc2c1OCC[C@H]2NC(=O)c1ccccc1NC(=O)[O-] ZINC000737272651 600576700 /nfs/dbraw/zinc/57/67/00/600576700.db2.gz PHNNRBODKYHPMZ-MRXNPFEDSA-N -1 0 340.379 3.593 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC000236946445 600577254 /nfs/dbraw/zinc/57/72/54/600577254.db2.gz BEUCVAVVAGIVHY-QGZVFWFLSA-N -1 0 347.455 3.763 20 0 EHADRM C[C@@H](CCC1CCCCC1)NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000736560907 600579329 /nfs/dbraw/zinc/57/93/29/600579329.db2.gz GATKAUBGZKMDHB-AWEZNQCLSA-N -1 0 333.428 3.629 20 0 EHADRM COc1cccc(NC(=S)Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000738107356 600582810 /nfs/dbraw/zinc/58/28/10/600582810.db2.gz YPQLVRRUTWPYEE-UHFFFAOYSA-N -1 0 336.800 3.856 20 0 EHADRM CC(C)[C@H](S[C@H](C)CC(=O)[O-])C(=O)N1CCCc2ccccc21 ZINC000736549042 600583534 /nfs/dbraw/zinc/58/35/34/600583534.db2.gz GZLGWMWCFZPMBH-DYVFJYSZSA-N -1 0 335.469 3.587 20 0 EHADRM C[C@@H](CC(=O)[O-])S[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000736550308 600583585 /nfs/dbraw/zinc/58/35/85/600583585.db2.gz NRBDQOIDKOVUHR-SUMWQHHRSA-N -1 0 329.421 3.963 20 0 EHADRM CC(C)[C@H](S[C@@H](C)CC(=O)[O-])C(=O)Nc1cccc2ncccc21 ZINC000736549873 600583665 /nfs/dbraw/zinc/58/36/65/600583665.db2.gz LRAPPHSWZDKYBJ-SJCJKPOMSA-N -1 0 346.452 3.794 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1OC(=O)c1ccc(Cl)cn1 ZINC000740296182 600583709 /nfs/dbraw/zinc/58/37/09/600583709.db2.gz HSJYRWPXGJDHHT-UHFFFAOYSA-N -1 0 327.723 3.806 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cc2occc2s1)c1ccc(F)cc1 ZINC000738567743 600586241 /nfs/dbraw/zinc/58/62/41/600586241.db2.gz ZGXZIXSWERMHEA-LLVKDONJSA-N -1 0 333.340 3.579 20 0 EHADRM C[C@H](CC(=O)[O-])SC[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000736553534 600586775 /nfs/dbraw/zinc/58/67/75/600586775.db2.gz YQUUHNFQEDPVGB-ZIAGYGMSSA-N -1 0 343.448 3.752 20 0 EHADRM Cc1cc(C(=O)CS[C@H](C)CC(=O)[O-])c(C)n1Cc1ccccc1 ZINC000738203565 600591377 /nfs/dbraw/zinc/59/13/77/600591377.db2.gz VBRAKPHYBGRTIZ-CQSZACIVSA-N -1 0 345.464 3.932 20 0 EHADRM CC[C@@H](NC(=O)CS[C@@H](C)CC(=O)[O-])c1ccc(Cl)cc1 ZINC000736909936 600592197 /nfs/dbraw/zinc/59/21/97/600592197.db2.gz AZENDEJYKFXFIT-GXFFZTMASA-N -1 0 329.849 3.504 20 0 EHADRM C[C@H](CN(C)C(=O)C1(c2cccc(Cl)c2)CCCCC1)C(=O)[O-] ZINC000237541755 600592446 /nfs/dbraw/zinc/59/24/46/600592446.db2.gz BXADQXWKURASHL-CYBMUJFWSA-N -1 0 337.847 3.721 20 0 EHADRM CCCCc1ccc(CC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000737001368 600592582 /nfs/dbraw/zinc/59/25/82/600592582.db2.gz TZIBLPUSCHEJLN-FQEVSTJZSA-N -1 0 339.435 3.856 20 0 EHADRM C[C@@H](CC(=O)[O-])SCC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000736550154 600592738 /nfs/dbraw/zinc/59/27/38/600592738.db2.gz BTUJCYPHJRNZSJ-HNNXBMFYSA-N -1 0 343.448 3.816 20 0 EHADRM C[C@@H](CC(=O)[O-])SCC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000736552682 600593600 /nfs/dbraw/zinc/59/36/00/600593600.db2.gz PIOFIBDOYKHAGU-ZDUSSCGKSA-N -1 0 329.421 3.889 20 0 EHADRM C[C@@H](CN(C)C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000237399456 600594921 /nfs/dbraw/zinc/59/49/21/600594921.db2.gz GUGRCDAHTDSERC-SWTNXBIASA-N -1 0 349.736 3.551 20 0 EHADRM CN(C(=O)c1cc2ccccc2s1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737336051 600599618 /nfs/dbraw/zinc/59/96/18/600599618.db2.gz IFGYCEFUVSNOKH-MRXNPFEDSA-N -1 0 325.389 3.799 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)[C@@H]1CC=CCC1)Cc1cccc2ccccc21 ZINC000262848955 600600117 /nfs/dbraw/zinc/60/01/17/600600117.db2.gz UXWQHZJBACPPMM-SJLPKXTDSA-N -1 0 337.419 3.556 20 0 EHADRM CC/C=C(/C)C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000736949040 600600811 /nfs/dbraw/zinc/60/08/11/600600811.db2.gz PPOYWOKECYSMFM-ROOCWEIGSA-N -1 0 325.408 3.556 20 0 EHADRM O=C([O-])[C@H](CNC(=O)C1CCCCC1)Cc1ccc2ccccc2c1 ZINC000486391302 600603561 /nfs/dbraw/zinc/60/35/61/600603561.db2.gz BFZNXNIZATZBMD-IBGZPJMESA-N -1 0 339.435 3.780 20 0 EHADRM O=C([O-])CN(C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)c1ccccc1 ZINC000156264546 600604006 /nfs/dbraw/zinc/60/40/06/600604006.db2.gz IHBZXVRGDNTHPY-HZPDHXFCSA-N -1 0 329.783 3.561 20 0 EHADRM Cc1nn(Cc2ccccc2)c(Cl)c1CSC[C@H](C)C(=O)[O-] ZINC000738928459 600605515 /nfs/dbraw/zinc/60/55/15/600605515.db2.gz TUXKHEPRYHCKDF-NSHDSACASA-N -1 0 338.860 3.847 20 0 EHADRM CC[C@H](NC(=S)N(C)Cc1ccc(C(=O)[O-])cc1)c1cccs1 ZINC000736920734 600607253 /nfs/dbraw/zinc/60/72/53/600607253.db2.gz ZVVXYCNYTNGITE-AWEZNQCLSA-N -1 0 348.493 3.904 20 0 EHADRM CC(C)(C)Oc1ccccc1NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000663116453 600610989 /nfs/dbraw/zinc/61/09/89/600610989.db2.gz HYJSFRFVUPKLFY-UHFFFAOYSA-N -1 0 343.379 3.580 20 0 EHADRM O=C([O-])[C@@H](CNc1ccnc(C2CC2)n1)Cc1cccc2ccccc21 ZINC000739503654 600611941 /nfs/dbraw/zinc/61/19/41/600611941.db2.gz VANIRKWJGKLTJQ-QGZVFWFLSA-N -1 0 347.418 3.863 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2ccc(Br)o2)c1 ZINC000147460414 600619073 /nfs/dbraw/zinc/61/90/73/600619073.db2.gz ABDUHAYTCOJLRQ-UHFFFAOYSA-N -1 0 344.548 3.646 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2coc3ccccc23)c(OC(F)F)c1 ZINC000740161778 600619108 /nfs/dbraw/zinc/61/91/08/600619108.db2.gz PQDPLXFYPPMKGT-UHFFFAOYSA-N -1 0 347.273 3.985 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)C[C@H]2OCCc3ccccc32)c1 ZINC000178248908 600619598 /nfs/dbraw/zinc/61/95/98/600619598.db2.gz AGXCOHIWXZLJFD-MRXNPFEDSA-N -1 0 345.782 3.681 20 0 EHADRM CC(C)Cc1nc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cs1 ZINC000736453219 600622022 /nfs/dbraw/zinc/62/20/22/600622022.db2.gz JTQGXNCVYJVTAP-UHFFFAOYSA-N -1 0 338.816 3.946 20 0 EHADRM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000736784840 600623366 /nfs/dbraw/zinc/62/33/66/600623366.db2.gz LNQXHDLSADBGRM-HZMBPMFUSA-N -1 0 325.792 3.572 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccc(Oc2ccnc3ccccc32)cc1 ZINC000191593538 600623861 /nfs/dbraw/zinc/62/38/61/600623861.db2.gz GOVCEIVZRNNNML-JKSUJKDBSA-N -1 0 348.358 3.686 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)NC2(c3cccc(F)c3)CC2)cc1 ZINC000739759156 600627355 /nfs/dbraw/zinc/62/73/55/600627355.db2.gz IXYWGCLRQPEEIE-UHFFFAOYSA-N -1 0 342.370 3.654 20 0 EHADRM CCc1cccc(CC)c1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000737266684 600634364 /nfs/dbraw/zinc/63/43/64/600634364.db2.gz HCPWEJKRIQUFCL-UHFFFAOYSA-N -1 0 347.436 3.619 20 0 EHADRM CCN(C(=O)c1ccc(COC(C)C)cc1)c1ccccc1C(=O)[O-] ZINC000737060255 600647612 /nfs/dbraw/zinc/64/76/12/600647612.db2.gz ZLRWJQNZYGLLHB-UHFFFAOYSA-N -1 0 341.407 3.977 20 0 EHADRM CCN(C(=O)C[C@@H]1CCOc2ccccc21)c1ccccc1C(=O)[O-] ZINC000737053382 600647775 /nfs/dbraw/zinc/64/77/75/600647775.db2.gz SZFDSNVJMZMADF-AWEZNQCLSA-N -1 0 339.391 3.694 20 0 EHADRM CC[C@@H]1CCCCCN1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736942694 600653560 /nfs/dbraw/zinc/65/35/60/600653560.db2.gz XHCNEZIVDJQYEZ-MRXNPFEDSA-N -1 0 333.432 3.683 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC000236801567 600661223 /nfs/dbraw/zinc/66/12/23/600661223.db2.gz TXTAXGAANMOFIF-BVGQSLNGSA-N -1 0 329.440 3.625 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N(C2CC2)[C@H]2CCc3ccccc32)C1 ZINC000245708940 600661746 /nfs/dbraw/zinc/66/17/46/600661746.db2.gz MYYKOSJWSPOWGY-DAYGRLMNSA-N -1 0 327.424 3.556 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000179983263 600661830 /nfs/dbraw/zinc/66/18/30/600661830.db2.gz NIYGJPMCRCTECW-OAGGEKHMSA-N -1 0 331.456 3.750 20 0 EHADRM CC(C)(CNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000179983988 600662178 /nfs/dbraw/zinc/66/21/78/600662178.db2.gz DZBYNCCVYZMIJU-OLZOCXBDSA-N -1 0 337.847 3.625 20 0 EHADRM Cc1csc(-c2ccc(NC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)cc2)n1 ZINC000179987292 600663932 /nfs/dbraw/zinc/66/39/32/600663932.db2.gz HWPXOKXQSYLLBV-KGLIPLIRSA-N -1 0 344.436 3.948 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccc(Nc3ccccc3)nc2)C1 ZINC000739573957 600665063 /nfs/dbraw/zinc/66/50/63/600665063.db2.gz QQHRNVWDQJTBDX-UONOGXRCSA-N -1 0 339.395 3.655 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)Oc1ccccc1CC(=O)[O-] ZINC000736890827 600675948 /nfs/dbraw/zinc/67/59/48/600675948.db2.gz IEMBJPODSMVKOP-AWEZNQCLSA-N -1 0 342.391 3.812 20 0 EHADRM Cc1ncc(CNc2cc(C(=O)[O-])c(F)cc2Br)s1 ZINC000738885716 600679497 /nfs/dbraw/zinc/67/94/97/600679497.db2.gz TWGKKTHYUAYWLZ-UHFFFAOYSA-N -1 0 345.193 3.663 20 0 EHADRM O=C([O-])[C@H](OC(=O)CC/C=C/c1ccccc1)c1ccccc1F ZINC000833097477 600680037 /nfs/dbraw/zinc/68/00/37/600680037.db2.gz NTGRPTGEYZKHSS-YDMXYTAQSA-N -1 0 328.339 3.988 20 0 EHADRM COC(=O)c1cc(NCc2c(C)cc(C)cc2C)ccc1C(=O)[O-] ZINC000737665055 600682476 /nfs/dbraw/zinc/68/24/76/600682476.db2.gz LJGLCCUGGZQTTH-UHFFFAOYSA-N -1 0 327.380 3.709 20 0 EHADRM Cc1[nH]c(C(=O)CSC2=Nc3ccccc3C2)c(C)c1C(=O)[O-] ZINC000738153768 600688203 /nfs/dbraw/zinc/68/82/03/600688203.db2.gz BJFKMFSNUVSSGO-UHFFFAOYSA-N -1 0 328.393 3.532 20 0 EHADRM CC(C)C[C@H]1CCCCCN1C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000262099792 600691274 /nfs/dbraw/zinc/69/12/74/600691274.db2.gz IXMBBKKZZMSQBR-MRXNPFEDSA-N -1 0 333.428 3.581 20 0 EHADRM O=C([O-])c1cccc(-c2noc(/C=C\c3cnc4ccccc4n3)n2)c1 ZINC000833327854 600693447 /nfs/dbraw/zinc/69/34/47/600693447.db2.gz JCDNBQFVARAMQO-HJWRWDBZSA-N -1 0 344.330 3.548 20 0 EHADRM O=C([O-])c1cccc(-c2noc([C@H]3Cc4cc(Cl)ccc4O3)n2)c1 ZINC000833327736 600699865 /nfs/dbraw/zinc/69/98/65/600699865.db2.gz FBNVBAXKPMJKFH-CQSZACIVSA-N -1 0 342.738 3.764 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000237043344 600701831 /nfs/dbraw/zinc/70/18/31/600701831.db2.gz YSOMZSXISCGKTR-UGKGYDQZSA-N -1 0 349.430 3.637 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)N2CCC(C3CCCC3)CC2)cc1 ZINC000833313195 600710904 /nfs/dbraw/zinc/71/09/04/600710904.db2.gz ONIPIMGOLVPEOM-UHFFFAOYSA-N -1 0 344.455 3.539 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)Oc2cccc(NC(=O)[O-])c2)c1 ZINC000737647270 600714277 /nfs/dbraw/zinc/71/42/77/600714277.db2.gz OURFEKKBJRAZBJ-UHFFFAOYSA-N -1 0 335.381 3.668 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000827428594 600722043 /nfs/dbraw/zinc/72/20/43/600722043.db2.gz YBOCQKHQBAORTH-SJKOYZFVSA-N -1 0 348.345 3.903 20 0 EHADRM CC(C)C[C@@H]1CCCCCN1C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000736427543 600728439 /nfs/dbraw/zinc/72/84/39/600728439.db2.gz UTITXEUGALVTSS-ZDUSSCGKSA-N -1 0 339.461 3.593 20 0 EHADRM CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c1ccccc1 ZINC000736400988 600730088 /nfs/dbraw/zinc/73/00/88/600730088.db2.gz AFJZZQURYUNEGO-MOPGFXCFSA-N -1 0 339.435 3.628 20 0 EHADRM CSc1ccc(O[C@@H](C)C(=O)O[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000738210947 600734784 /nfs/dbraw/zinc/73/47/84/600734784.db2.gz DWFJOQRIQZQSCX-BLLLJJGKSA-N -1 0 346.404 3.545 20 0 EHADRM C[C@H](OC(=O)c1ccc(OC2CCC2)cc1)c1ccc(C(=O)[O-])o1 ZINC000827860681 600735423 /nfs/dbraw/zinc/73/54/23/600735423.db2.gz FMBUUQQNWJIIIM-NSHDSACASA-N -1 0 330.336 3.827 20 0 EHADRM Cc1ccc(C(C)(C)CN(C)C(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000263446242 600747846 /nfs/dbraw/zinc/74/78/46/600747846.db2.gz GABDKAPQQJOUQJ-UHFFFAOYSA-N -1 0 346.471 3.557 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000826860935 600750416 /nfs/dbraw/zinc/75/04/16/600750416.db2.gz KGJHOGIBXJMVAM-UHFFFAOYSA-N -1 0 346.383 3.724 20 0 EHADRM CC(C)(CC(=O)[O-])NC(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000736307733 600780893 /nfs/dbraw/zinc/78/08/93/600780893.db2.gz LLKGFPKVXFOAKE-UHFFFAOYSA-N -1 0 332.227 3.686 20 0 EHADRM Cc1ccc2cccc(C(=O)N[C@H](CC(=O)[O-])c3cccs3)c2n1 ZINC000683299181 600785047 /nfs/dbraw/zinc/78/50/47/600785047.db2.gz UVCABICDNWXIGY-CQSZACIVSA-N -1 0 340.404 3.551 20 0 EHADRM C[C@@H]1CC[C@@H](CCC(=O)Nc2cc3ccccc3cc2C(=O)[O-])O1 ZINC000237533115 600786623 /nfs/dbraw/zinc/78/66/23/600786623.db2.gz AXWZIMJPODWAOK-DOMZBBRYSA-N -1 0 327.380 3.824 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)c(F)c1 ZINC000833319086 600787213 /nfs/dbraw/zinc/78/72/13/600787213.db2.gz RFFJWJMACVPWCN-MGPUTAFESA-N -1 0 339.366 3.757 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)/C=C\c1ccsc1)c1cccc(Cl)c1 ZINC000776673465 600798999 /nfs/dbraw/zinc/79/89/99/600798999.db2.gz PYUJOZLPLROZGQ-ZRUQZJFASA-N -1 0 335.812 3.747 20 0 EHADRM CCOc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000776675158 600799663 /nfs/dbraw/zinc/79/96/63/600799663.db2.gz QEXLZOKPBURKPN-INIZCTEOSA-N -1 0 347.798 3.685 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CCc1ccsc1)c1cccc(Cl)c1 ZINC000776674432 600800435 /nfs/dbraw/zinc/80/04/35/600800435.db2.gz JWDOMASLNSWYMF-AWEZNQCLSA-N -1 0 337.828 3.666 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCCc1ccccc1)c1cccc(Cl)c1 ZINC000776675357 600800447 /nfs/dbraw/zinc/80/04/47/600800447.db2.gz SMCNVQOSMSJXND-QGZVFWFLSA-N -1 0 345.826 3.995 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)/C=C/c1ccccc1F)c1cccc(Cl)c1 ZINC000776675135 600800534 /nfs/dbraw/zinc/80/05/34/600800534.db2.gz PPWNXCAKWYPFAZ-ROJDOSBLSA-N -1 0 347.773 3.825 20 0 EHADRM O=C([O-])Nc1ccc(OCc2ccn(-c3ccc(F)cc3)n2)cc1 ZINC000833289884 600803355 /nfs/dbraw/zinc/80/33/55/600803355.db2.gz KXHZOOQVXHAFSO-UHFFFAOYSA-N -1 0 327.315 3.680 20 0 EHADRM CN(C(=O)OC(C)(C)C)c1ccc(OCc2cc(C(=O)[O-])co2)cc1 ZINC000830520063 600805573 /nfs/dbraw/zinc/80/55/73/600805573.db2.gz ZZDZUKKXZVIZGO-UHFFFAOYSA-N -1 0 347.367 3.928 20 0 EHADRM O=C([O-])c1ccc(COc2ccc(OCC(F)(F)F)cc2)cc1 ZINC000833314703 600806459 /nfs/dbraw/zinc/80/64/59/600806459.db2.gz JYDBODJSRUPNDL-UHFFFAOYSA-N -1 0 326.270 3.905 20 0 EHADRM C[C@@H]1CN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)CC(C)(C)O1 ZINC000584356538 600820192 /nfs/dbraw/zinc/82/01/92/600820192.db2.gz RHLRNTUOXFCBRB-GFCCVEGCSA-N -1 0 346.452 3.508 20 0 EHADRM Cc1cccc(NC(=S)N2C[C@@H](CC(=O)[O-])c3ccccc32)c1 ZINC000738736099 600820446 /nfs/dbraw/zinc/82/04/46/600820446.db2.gz KCOAMBKHFUYKRI-CYBMUJFWSA-N -1 0 326.421 3.770 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=S)NCCc2ccccc2)cc1 ZINC000736232238 600820921 /nfs/dbraw/zinc/82/09/21/600820921.db2.gz KFGFDIUECMNVRU-UHFFFAOYSA-N -1 0 342.464 3.578 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=S)NCc2ccccc2)cc1 ZINC000736232084 600820931 /nfs/dbraw/zinc/82/09/31/600820931.db2.gz CZLWSNAUQXWLBS-UHFFFAOYSA-N -1 0 328.437 3.535 20 0 EHADRM CCCN(Cc1csc(-c2cccc(C(=O)[O-])c2)n1)CC(F)F ZINC000568521166 600821111 /nfs/dbraw/zinc/82/11/11/600821111.db2.gz TYWZHIZVUOVZNP-UHFFFAOYSA-N -1 0 340.395 3.985 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000120225302 600823344 /nfs/dbraw/zinc/82/33/44/600823344.db2.gz JMSQIVNRRVDWQU-QWHCGFSZSA-N -1 0 331.318 3.714 20 0 EHADRM C[C@@H](CNc1nc(Cl)c(C(=O)[O-])s1)c1ccc(F)cc1F ZINC000827513184 600825198 /nfs/dbraw/zinc/82/51/98/600825198.db2.gz ZAQCYNGSZFKDDC-LURJTMIESA-N -1 0 332.759 3.989 20 0 EHADRM Cc1c(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)cccc1C(=O)[O-] ZINC000675965762 600830572 /nfs/dbraw/zinc/83/05/72/600830572.db2.gz AAHWOPWEXNWDCV-CHWSQXEVSA-N -1 0 331.318 3.714 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CN1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000566363129 600833214 /nfs/dbraw/zinc/83/32/14/600833214.db2.gz GBLYGSCMMYGPTP-FZKQIMNGSA-N -1 0 329.396 3.557 20 0 EHADRM CC[C@@H]1C[C@H](C)CN1C(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000829075343 600840281 /nfs/dbraw/zinc/84/02/81/600840281.db2.gz PSAWLKPFIMYSST-DZGCQCFKSA-N -1 0 345.443 3.637 20 0 EHADRM Cc1ccc(N(C)C(C)C)c(C(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC000738608116 600840549 /nfs/dbraw/zinc/84/05/49/600840549.db2.gz CBBJMUCPJLUQLQ-UHFFFAOYSA-N -1 0 344.386 3.929 20 0 EHADRM C[C@H]1CCC[C@H](C(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)C1 ZINC000237530133 600841574 /nfs/dbraw/zinc/84/15/74/600841574.db2.gz JMINHCYDHXDYEA-JSGCOSHPSA-N -1 0 339.382 3.594 20 0 EHADRM COc1ccccc1[C@H](C)SCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000832594853 600842204 /nfs/dbraw/zinc/84/22/04/600842204.db2.gz GXQGWZSDENESPY-LBPRGKRZSA-N -1 0 345.420 3.826 20 0 EHADRM C/C(=C/C(=O)NCCCCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000236642893 600847959 /nfs/dbraw/zinc/84/79/59/600847959.db2.gz ZILKLGWNYHRTNE-BENRWUELSA-N -1 0 343.345 3.870 20 0 EHADRM C[C@@H](C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21)c1ccccc1F ZINC000736200429 600850181 /nfs/dbraw/zinc/85/01/81/600850181.db2.gz QTVYVRFKLMHXBM-CHWSQXEVSA-N -1 0 327.355 3.534 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000262265613 600853663 /nfs/dbraw/zinc/85/36/63/600853663.db2.gz HDELWJOJGBAVHQ-CYBMUJFWSA-N -1 0 329.371 3.660 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)N[C@@H](C(=O)[O-])[C@@H](C)CC)o2)cc1 ZINC000830229232 600857523 /nfs/dbraw/zinc/85/75/23/600857523.db2.gz NCUOELNEPHUGLS-YVEFUNNKSA-N -1 0 329.396 3.738 20 0 EHADRM COc1ccc(Cl)cc1C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000325375696 600858892 /nfs/dbraw/zinc/85/88/92/600858892.db2.gz UTKIGIXLCFTWHK-LLVKDONJSA-N -1 0 345.782 3.567 20 0 EHADRM CCCOc1cccc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)c1 ZINC000393127329 600860423 /nfs/dbraw/zinc/86/04/23/600860423.db2.gz SVDIVYIPWITIMU-HNNXBMFYSA-N -1 0 339.391 3.694 20 0 EHADRM Cc1nc2ccccc2cc1C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000738876601 600860887 /nfs/dbraw/zinc/86/08/87/600860887.db2.gz ZSYSJOHBGWKDOV-HNNXBMFYSA-N -1 0 346.386 3.762 20 0 EHADRM CC(C)Cc1nc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cs1 ZINC000736454821 600861805 /nfs/dbraw/zinc/86/18/05/600861805.db2.gz XETGEYKQPFBSMO-GFCCVEGCSA-N -1 0 344.436 3.560 20 0 EHADRM O=C([O-])c1coc(COc2cccc(NC(=O)c3ccccc3)c2)c1 ZINC000833340613 600865140 /nfs/dbraw/zinc/86/51/40/600865140.db2.gz JOBPVELNXGJEIB-UHFFFAOYSA-N -1 0 337.331 3.809 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cccc(F)c1Cl)c1ccc(F)cc1 ZINC000362428294 600868267 /nfs/dbraw/zinc/86/82/67/600868267.db2.gz OJTZCEBTFDYWPH-ZDUSSCGKSA-N -1 0 339.725 3.564 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccccc2SC(F)F)C1 ZINC000108654615 600873906 /nfs/dbraw/zinc/87/39/06/600873906.db2.gz KCIINGJUODWYDP-NXEZZACHSA-N -1 0 329.368 3.831 20 0 EHADRM Cc1ccc(C2=CCN(C(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)CC2)cc1 ZINC000832930786 600875361 /nfs/dbraw/zinc/87/53/61/600875361.db2.gz RZZBJAFYVUZKNZ-MSOLQXFVSA-N -1 0 327.424 3.502 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)CCc2cccc(F)c2F)cc1 ZINC000262402328 600878301 /nfs/dbraw/zinc/87/83/01/600878301.db2.gz AFMCVGWSZPJBLJ-UHFFFAOYSA-N -1 0 347.361 3.898 20 0 EHADRM C[C@@]1(C(=O)Nc2ccc(CCC(=O)[O-])cc2)CCc2ccccc2C1 ZINC000827976149 600878385 /nfs/dbraw/zinc/87/83/85/600878385.db2.gz KUMPEFPIMGGGAW-OAQYLSRUSA-N -1 0 337.419 3.838 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000621557857 600880232 /nfs/dbraw/zinc/88/02/32/600880232.db2.gz QYRVWORQWFIXOR-XWIAVFTESA-N -1 0 345.439 3.601 20 0 EHADRM Cc1cc(F)cc(C(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)c1 ZINC000832887601 600881895 /nfs/dbraw/zinc/88/18/95/600881895.db2.gz OZDDTUMQNJMHDV-UHFFFAOYSA-N -1 0 345.355 3.536 20 0 EHADRM COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)CCC(=O)[O-])cc1 ZINC000583221879 600884065 /nfs/dbraw/zinc/88/40/65/600884065.db2.gz LCAFFMPOCJYJFQ-CQSZACIVSA-N -1 0 341.407 3.746 20 0 EHADRM CCO[C@H]1C[C@@H](N(C)C(=O)c2cccc(C(=O)[O-])c2)C12CCCCC2 ZINC000236968706 600884426 /nfs/dbraw/zinc/88/44/26/600884426.db2.gz CRLJFPAXJVRLHA-SJORKVTESA-N -1 0 345.439 3.585 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)c2cccc(F)c2Cl)cc1 ZINC000833287916 600891932 /nfs/dbraw/zinc/89/19/32/600891932.db2.gz QIIRXJKMSPHKAT-UHFFFAOYSA-N -1 0 336.750 3.542 20 0 EHADRM COc1cc(C(=O)[O-])cc(N[C@@H](C)c2cc(F)ccc2F)c1OC ZINC000831913268 600894757 /nfs/dbraw/zinc/89/47/57/600894757.db2.gz NJTMSMACYQJCNY-VIFPVBQESA-N -1 0 337.322 3.853 20 0 EHADRM CCOc1ccc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1Cl ZINC000261988047 600895083 /nfs/dbraw/zinc/89/50/83/600895083.db2.gz BCUGLOBYDVAMMR-WDEREUQCSA-N -1 0 325.792 3.568 20 0 EHADRM CN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000179985209 600895152 /nfs/dbraw/zinc/89/51/52/600895152.db2.gz DWZBQFSLJWKJPG-QWHCGFSZSA-N -1 0 343.345 3.555 20 0 EHADRM C/C=C/c1ccc(OCC(=O)Nc2ccc(C(=O)[O-])s2)c(OC)c1 ZINC000828543983 600900730 /nfs/dbraw/zinc/90/07/30/600900730.db2.gz ZRZKOYKMNIUFSI-ONEGZZNKSA-N -1 0 347.392 3.506 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N(Cc2ccccc2)CC2CCC2)C1 ZINC000179981455 600909688 /nfs/dbraw/zinc/90/96/88/600909688.db2.gz VSESBTNWEMGSFH-QZTJIDSGSA-N -1 0 329.440 3.706 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1ccc(SC(F)(F)F)cc1)C(=O)[O-] ZINC000321735043 600917481 /nfs/dbraw/zinc/91/74/81/600917481.db2.gz OTQLUCFPLOYUKG-LLVKDONJSA-N -1 0 349.374 3.775 20 0 EHADRM CC(C)C[C@@H](CNC(=O)c1cc(Cl)ccc1OC(C)C)C(=O)[O-] ZINC000486287786 600921593 /nfs/dbraw/zinc/92/15/93/600921593.db2.gz YSJIWYFRGXOECX-LBPRGKRZSA-N -1 0 341.835 3.604 20 0 EHADRM CCC(CC)(NC(=O)CSc1ccc2ccccc2c1)C(=O)[O-] ZINC000342564116 600921669 /nfs/dbraw/zinc/92/16/69/600921669.db2.gz JCPRLRLOLZNQHQ-UHFFFAOYSA-N -1 0 331.437 3.692 20 0 EHADRM CCC(CC)(NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000342544148 600928217 /nfs/dbraw/zinc/92/82/17/600928217.db2.gz KJKRLKUDWFMDGC-VXGBXAGGSA-N -1 0 344.238 3.857 20 0 EHADRM CCC(CC)(NC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000342576265 600928805 /nfs/dbraw/zinc/92/88/05/600928805.db2.gz UUBZSTCOPHPGNZ-SECBINFHSA-N -1 0 348.226 3.520 20 0 EHADRM O=C([O-])COc1cccc(C(=O)N2CCCC3(C2)CCCCCC3)c1 ZINC000345776615 600930559 /nfs/dbraw/zinc/93/05/59/600930559.db2.gz KLRLADSWFRNTSC-UHFFFAOYSA-N -1 0 345.439 3.727 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)Nc3ccc(C(=O)[O-])cc3F)c2c1 ZINC000832959582 600932373 /nfs/dbraw/zinc/93/23/73/600932373.db2.gz WSDNUDQAXAIHMZ-UHFFFAOYSA-N -1 0 340.354 3.885 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCCC[C@H]2Cc2ccc(F)cc2)C1 ZINC000540923885 600934050 /nfs/dbraw/zinc/93/40/50/600934050.db2.gz HKSCJJMFNUQRNJ-NUJGCVRESA-N -1 0 347.430 3.640 20 0 EHADRM CCCC[C@H](Sc1nnc(-c2c[nH]c3ccccc32)o1)C(=O)[O-] ZINC000736984491 600935927 /nfs/dbraw/zinc/93/59/27/600935927.db2.gz JLOHMQKZMGDBHK-ZDUSSCGKSA-N -1 0 331.397 3.953 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1cccc(NC(=O)[O-])c1)c1nc(C)cs1 ZINC000736861000 600941135 /nfs/dbraw/zinc/94/11/35/600941135.db2.gz GVZSIWLIYBFYGL-MRXNPFEDSA-N -1 0 348.428 3.988 20 0 EHADRM Cc1ccccc1-c1csc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000832975385 600941849 /nfs/dbraw/zinc/94/18/49/600941849.db2.gz WISPUQVGMUFRSL-CHWSQXEVSA-N -1 0 344.436 3.948 20 0 EHADRM COC(=O)c1cc(NC(=O)c2sccc2C(C)C)ccc1C(=O)[O-] ZINC000831315612 600947531 /nfs/dbraw/zinc/94/75/31/600947531.db2.gz FOIBZEXNZJYCNU-UHFFFAOYSA-N -1 0 347.392 3.609 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1 ZINC000828874222 600949248 /nfs/dbraw/zinc/94/92/48/600949248.db2.gz BDZRYXGVAQUNDO-ZDUSSCGKSA-N -1 0 347.411 3.716 20 0 EHADRM Cc1nc(C2CCCC2)sc1C(=O)O[C@H](CC(C)C)C(=O)[O-] ZINC000832996636 600954779 /nfs/dbraw/zinc/95/47/79/600954779.db2.gz AEKBVBHUJBVUNF-GFCCVEGCSA-N -1 0 325.430 3.765 20 0 EHADRM CC(C)C[C@@H](OC(=O)CSCc1ccc(Cl)cc1)C(=O)[O-] ZINC000826811147 600956061 /nfs/dbraw/zinc/95/60/61/600956061.db2.gz AMMORIQLUJSEPB-CYBMUJFWSA-N -1 0 330.833 3.616 20 0 EHADRM CC(C)C[C@H](OC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000826812621 600956648 /nfs/dbraw/zinc/95/66/48/600956648.db2.gz KRQRGZWQIVWMHI-MFKMUULPSA-N -1 0 348.317 3.515 20 0 EHADRM CCO[C@@H]1C[C@H](OC(=O)c2cccc(C(=O)[O-])c2)C12CCCCC2 ZINC000829931935 600960991 /nfs/dbraw/zinc/96/09/91/600960991.db2.gz YFEJBFWTHBDTNQ-CVEARBPZSA-N -1 0 332.396 3.670 20 0 EHADRM C[C@H]1CC[C@@H](CCC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)O1 ZINC000828221088 600966995 /nfs/dbraw/zinc/96/69/95/600966995.db2.gz HMVVXSYKCOFDRV-QWRGUYRKSA-N -1 0 337.441 3.611 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2cccc(N3CCCCCC3)c2)C1 ZINC000833185246 600967094 /nfs/dbraw/zinc/96/70/94/600967094.db2.gz GEKKBTSXNUBDJJ-HZPDHXFCSA-N -1 0 344.455 3.897 20 0 EHADRM CN(C(=O)c1cccc(-c2cscn2)c1)c1ccccc1C(=O)[O-] ZINC000830533806 600968596 /nfs/dbraw/zinc/96/85/96/600968596.db2.gz VPHYSGKWAMZAAJ-UHFFFAOYSA-N -1 0 338.388 3.785 20 0 EHADRM CCC(CC)(CNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000498654307 600975478 /nfs/dbraw/zinc/97/54/78/600975478.db2.gz UVFBAXAYMNEEOM-CVEARBPZSA-N -1 0 331.456 3.752 20 0 EHADRM Cc1ccc(-c2cnc(CN3Cc4ccccc4C[C@@H]3C(=O)[O-])o2)cc1 ZINC000832907032 600981560 /nfs/dbraw/zinc/98/15/60/600981560.db2.gz KGRZHKLBHWKYHE-GOSISDBHSA-N -1 0 348.402 3.662 20 0 EHADRM Cc1[nH]c(C(=O)Nc2cc(C(F)(F)F)ccc2C)c(C)c1C(=O)[O-] ZINC000832922688 600983028 /nfs/dbraw/zinc/98/30/28/600983028.db2.gz DZHHRECMTXANIV-UHFFFAOYSA-N -1 0 340.301 3.909 20 0 EHADRM Cc1cccc(NC(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000832970928 600994117 /nfs/dbraw/zinc/99/41/17/600994117.db2.gz MSVKXEWEFHAKGP-OAHLLOKOSA-N -1 0 332.787 3.986 20 0 EHADRM C[C@@H](C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2)c1cccnc1 ZINC000826025867 600995392 /nfs/dbraw/zinc/99/53/92/600995392.db2.gz HLNIGSAIDKMBDM-LLVKDONJSA-N -1 0 344.436 3.852 20 0 EHADRM Cn1c(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)ccc1-c1ccccc1 ZINC000237722552 600997321 /nfs/dbraw/zinc/99/73/21/600997321.db2.gz MYEVIXZCMNFHIO-QGZVFWFLSA-N -1 0 348.402 3.638 20 0 EHADRM Cn1c(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)ccc1-c1ccccc1 ZINC000237720264 600997401 /nfs/dbraw/zinc/99/74/01/600997401.db2.gz MYEVIXZCMNFHIO-KRWDZBQOSA-N -1 0 348.402 3.638 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)[C@@H]1CCSc2ccccc21 ZINC000740189769 601000081 /nfs/dbraw/zinc/00/00/81/601000081.db2.gz UJOKTCQJICYXRF-OAHLLOKOSA-N -1 0 339.416 3.554 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2cnc3ccsc3c2)c(F)cc1F ZINC000739457450 601000873 /nfs/dbraw/zinc/00/08/73/601000873.db2.gz FCCQOXJNFDTGSK-UHFFFAOYSA-N -1 0 334.303 3.525 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc2cccc(F)c2o1)c1ccc(F)cc1 ZINC000675947103 601005916 /nfs/dbraw/zinc/00/59/16/601005916.db2.gz FZAKFMICKQIPHA-AWEZNQCLSA-N -1 0 345.301 3.657 20 0 EHADRM COc1ccc([C@H](C)CCNC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000832221240 601007577 /nfs/dbraw/zinc/00/75/77/601007577.db2.gz WVDJXMAUUZRLOP-CYBMUJFWSA-N -1 0 342.395 3.709 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)SC ZINC000323206123 601012268 /nfs/dbraw/zinc/01/22/68/601012268.db2.gz VXEYOOFNWUAAGP-UHFFFAOYSA-N -1 0 346.399 3.706 20 0 EHADRM CN(CCc1cccs1)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000317358138 601013675 /nfs/dbraw/zinc/01/36/75/601013675.db2.gz FPANVCQXJUQBCF-UHFFFAOYSA-N -1 0 338.816 3.806 20 0 EHADRM Cc1c(C(=O)Oc2ccccc2CC(=O)[O-])sc2nccc(C)c12 ZINC000738798384 601021870 /nfs/dbraw/zinc/02/18/70/601021870.db2.gz OYCKCGZXURGZJW-UHFFFAOYSA-N -1 0 341.388 3.759 20 0 EHADRM Cc1cccc([C@@H](C)C(=O)N(CCC(=O)[O-])c2cccc(F)c2)c1 ZINC000738691609 601028906 /nfs/dbraw/zinc/02/89/06/601028906.db2.gz GTJQDWJRVWVJRH-CQSZACIVSA-N -1 0 329.371 3.746 20 0 EHADRM CC/C(=C/C(=O)N(c1ncc(C(=O)[O-])s1)C1CC1)c1ccccc1 ZINC000736837348 601035039 /nfs/dbraw/zinc/03/50/39/601035039.db2.gz VDNNSRRZAMNQOG-BENRWUELSA-N -1 0 342.420 3.830 20 0 EHADRM O=C([O-])CCOc1ccc(NC(=O)N[C@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000833239809 601035495 /nfs/dbraw/zinc/03/54/95/601035495.db2.gz WJYFFKOUFJQENJ-SJORKVTESA-N -1 0 346.427 3.630 20 0 EHADRM CC(C)Cc1ccc(C(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)cc1 ZINC000736453171 601039166 /nfs/dbraw/zinc/03/91/66/601039166.db2.gz IJLHSXFWHOQPRI-UHFFFAOYSA-N -1 0 344.436 3.849 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)N2CCC(C(F)(F)F)CC2)cc1 ZINC000392461441 601045662 /nfs/dbraw/zinc/04/56/62/601045662.db2.gz MFPKPIBZSNOPIU-UHFFFAOYSA-N -1 0 344.333 3.510 20 0 EHADRM Cc1ccc2cccc(NC(=O)NC[C@@H](C(=O)[O-])c3ccccc3)c2n1 ZINC000832961778 601048182 /nfs/dbraw/zinc/04/81/82/601048182.db2.gz DPCHEQQGAGHLCV-MRXNPFEDSA-N -1 0 349.390 3.533 20 0 EHADRM CC[C@H](C)C[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000828735567 601048720 /nfs/dbraw/zinc/04/87/20/601048720.db2.gz BZXLZNYOGCRJCT-UWVGGRQHSA-N -1 0 344.358 3.932 20 0 EHADRM C[C@@H](C(=O)Nc1cc(C(=O)[O-])ccn1)c1ccccc1C(F)(F)F ZINC000736214450 601061965 /nfs/dbraw/zinc/06/19/65/601061965.db2.gz HCLXSBXYCOPGON-SECBINFHSA-N -1 0 338.285 3.541 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)CCc1ccccc1 ZINC000833176632 601078510 /nfs/dbraw/zinc/07/85/10/601078510.db2.gz FBZRCVJRMYBBQT-MSOLQXFVSA-N -1 0 329.440 3.501 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N[C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000327216079 601091411 /nfs/dbraw/zinc/09/14/11/601091411.db2.gz SQVTXGWXBRTFST-IAGOWNOFSA-N -1 0 338.407 3.726 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1cc2ccccc2o1 ZINC000833180430 601091927 /nfs/dbraw/zinc/09/19/27/601091927.db2.gz VLHWIYBIQGYLOC-CVEARBPZSA-N -1 0 341.407 3.928 20 0 EHADRM Cc1ccccc1CNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000325448697 601092784 /nfs/dbraw/zinc/09/27/84/601092784.db2.gz PFHAKTLTQYTUPP-UHFFFAOYSA-N -1 0 326.396 3.679 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N2CCC3(CCCC3)C2)cc1 ZINC000392157275 601095426 /nfs/dbraw/zinc/09/54/26/601095426.db2.gz AITLYHZBKTZINX-UHFFFAOYSA-N -1 0 330.428 3.847 20 0 EHADRM Cc1noc(C)c1[C@H](C)NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000327180332 601095516 /nfs/dbraw/zinc/09/55/16/601095516.db2.gz VOGBWJPEFQFDJU-JTQLQIEISA-N -1 0 345.399 3.536 20 0 EHADRM C/C(=C\CSc1nnc(-c2ccccc2F)n1C1CC1)C(=O)[O-] ZINC000736121252 601097586 /nfs/dbraw/zinc/09/75/86/601097586.db2.gz LGHWFICQUGVMEH-CSKARUKUSA-N -1 0 333.388 3.542 20 0 EHADRM Cc1cccc(OCCC(=O)O[C@@H](C(=O)[O-])c2ccccc2F)c1C ZINC000832972103 601100658 /nfs/dbraw/zinc/10/06/58/601100658.db2.gz KFTGLVDOUUSVSS-GOSISDBHSA-N -1 0 346.354 3.581 20 0 EHADRM Cc1ncsc1C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000833010663 601107561 /nfs/dbraw/zinc/10/75/61/601107561.db2.gz TUQYMNKURNYWGS-JTQLQIEISA-N -1 0 346.191 3.741 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cccc(C(=O)[O-])c2)[C@H]1c1cccc(F)c1 ZINC000237376169 601107677 /nfs/dbraw/zinc/10/76/77/601107677.db2.gz UPOMINLHSIHJDT-SJKOYZFVSA-N -1 0 327.355 3.747 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])cc2)[C@H]1c1cccc(F)c1 ZINC000237375337 601107960 /nfs/dbraw/zinc/10/79/60/601107960.db2.gz XXVBDRXZIHLGIB-SJKOYZFVSA-N -1 0 327.355 3.747 20 0 EHADRM O=C([O-])C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])c2ccccc21 ZINC000325176425 601113910 /nfs/dbraw/zinc/11/39/10/601113910.db2.gz ASNPGJTXHCSOJE-LLVKDONJSA-N -1 0 346.770 3.827 20 0 EHADRM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000183962848 601125814 /nfs/dbraw/zinc/12/58/14/601125814.db2.gz QHTMNVYZVBSCRV-CHWSQXEVSA-N -1 0 343.345 3.555 20 0 EHADRM CN(Cc1ccc2ccccc2c1)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000261694211 601125999 /nfs/dbraw/zinc/12/59/99/601125999.db2.gz NZKISUUZEJDVQF-ZWKOTPCHSA-N -1 0 325.408 3.689 20 0 EHADRM Cc1cc(NC(=O)NC2(CC(=O)[O-])CCC2)ccc1C(F)(F)F ZINC000649541404 601132248 /nfs/dbraw/zinc/13/22/48/601132248.db2.gz ZOXBRENSSRWALW-UHFFFAOYSA-N -1 0 330.306 3.533 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc(Oc3ccccc3)o2)c2ccccc21 ZINC000192961071 601137552 /nfs/dbraw/zinc/13/75/52/601137552.db2.gz OCJCFRAZHUKUIF-OAHLLOKOSA-N -1 0 349.342 3.901 20 0 EHADRM CSc1ccc(CNC(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000832777520 601141502 /nfs/dbraw/zinc/14/15/02/601141502.db2.gz PVQKUPNDMGWBTD-UHFFFAOYSA-N -1 0 330.409 3.737 20 0 EHADRM Cc1cc(C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)c(F)cc1F ZINC000322427945 601150661 /nfs/dbraw/zinc/15/06/61/601150661.db2.gz BDJWFSTVEBSMCP-UHFFFAOYSA-N -1 0 337.347 3.774 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)OCc2ccc(SC(F)F)cc2)C1 ZINC000833190194 601150709 /nfs/dbraw/zinc/15/07/09/601150709.db2.gz WJYLIDHFDTUEMI-NWDGAFQWSA-N -1 0 344.379 3.936 20 0 EHADRM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000829014121 601151086 /nfs/dbraw/zinc/15/10/86/601151086.db2.gz CWWRUIIIZMNJCI-SNVBAGLBSA-N -1 0 339.800 3.896 20 0 EHADRM O=C([O-])c1coc(CN2CC(OCc3cccc4ccccc43)C2)c1 ZINC000833340022 601156009 /nfs/dbraw/zinc/15/60/09/601156009.db2.gz QWPAVRIUTJIWSI-UHFFFAOYSA-N -1 0 337.375 3.532 20 0 EHADRM Cc1ccc(CCCC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)s1 ZINC000776619939 601158338 /nfs/dbraw/zinc/15/83/38/601158338.db2.gz ATALIQLUVPKUTG-KRWDZBQOSA-N -1 0 331.437 3.664 20 0 EHADRM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1cccc(NC(=O)[O-])c1 ZINC000828311111 601161015 /nfs/dbraw/zinc/16/10/15/601161015.db2.gz ULBYKQXXNRASIO-DIFFPNOSSA-N -1 0 342.370 3.969 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cccc(C(F)F)c1)c1ccccc1 ZINC000826044019 601166289 /nfs/dbraw/zinc/16/62/89/601166289.db2.gz AZLBLEJKSCHVTB-IAQYHMDHSA-N -1 0 333.334 3.816 20 0 EHADRM Cc1ccc(-c2nc(COC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)co2)cc1 ZINC000832908105 601184836 /nfs/dbraw/zinc/18/48/36/601184836.db2.gz FRWRGOJJXGLBSD-LSDHHAIUSA-N -1 0 343.379 3.584 20 0 EHADRM O=C([O-])CC1(NC(=O)Cc2ccc3ccccc3c2)CCCCC1 ZINC000392618331 601186156 /nfs/dbraw/zinc/18/61/56/601186156.db2.gz ZVGZAERQCRDYOW-UHFFFAOYSA-N -1 0 325.408 3.676 20 0 EHADRM O=C([O-])c1coc(COC(=O)c2ccc(Oc3ccccc3)o2)c1 ZINC000833340892 601189228 /nfs/dbraw/zinc/18/92/28/601189228.db2.gz NGATUHABAKGNGQ-UHFFFAOYSA-N -1 0 328.276 3.720 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cccc(C(F)(F)F)c1F)c1ccccc1 ZINC000833351104 601195570 /nfs/dbraw/zinc/19/55/70/601195570.db2.gz MVSJDJVCQQTRJF-ZDUSSCGKSA-N -1 0 342.244 3.827 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2cccc(NC3CCCC3)c2)C1 ZINC000833186422 601210902 /nfs/dbraw/zinc/21/09/02/601210902.db2.gz LXLKMQIVFQKMKQ-KBPBESRZSA-N -1 0 330.428 3.871 20 0 EHADRM Cc1cc(Cl)ccc1S(=O)(=O)Oc1ccccc1NC(=O)[O-] ZINC000832887051 601227939 /nfs/dbraw/zinc/22/79/39/601227939.db2.gz UYNHAZZDYFJCTC-UHFFFAOYSA-N -1 0 341.772 3.506 20 0 EHADRM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CS[C@@H](C)C(=O)[O-] ZINC000833016732 601230461 /nfs/dbraw/zinc/23/04/61/601230461.db2.gz DSDHOIAVIZTTPM-LBPRGKRZSA-N -1 0 338.860 3.908 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Oc2cccc(Oc3ccccn3)c2)C1 ZINC000833186884 601237092 /nfs/dbraw/zinc/23/70/92/601237092.db2.gz IYDNFCCXVLJWGM-ZIAGYGMSSA-N -1 0 341.363 3.670 20 0 EHADRM C[C@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000237449596 601242217 /nfs/dbraw/zinc/24/22/17/601242217.db2.gz IEHZPBRMYBQDRG-QMMMGPOBSA-N -1 0 339.178 3.578 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)CC(C)(C)c1ccccc1)c1ccccc1 ZINC000237603119 601244286 /nfs/dbraw/zinc/24/42/86/601244286.db2.gz UDRYFNCQLRHYRT-KXBFYZLASA-N -1 0 339.435 3.933 20 0 EHADRM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccnc(C(=O)[O-])c1 ZINC000236906846 601246539 /nfs/dbraw/zinc/24/65/39/601246539.db2.gz UDJWJLOHBGSARY-AEFFLSMTSA-N -1 0 338.407 3.578 20 0 EHADRM Cc1nc2ccccc2nc1CNc1cc(C(=O)[O-])c(F)cc1F ZINC000833006701 601246974 /nfs/dbraw/zinc/24/69/74/601246974.db2.gz TYIIVHSIFLJEKR-UHFFFAOYSA-N -1 0 329.306 3.527 20 0 EHADRM Cc1nc(-c2cccnc2)nc(Nc2ccc(NC(=O)[O-])cc2)c1C ZINC000832992934 601250010 /nfs/dbraw/zinc/25/00/10/601250010.db2.gz DGSLBGLEXBFFFK-UHFFFAOYSA-N -1 0 335.367 3.989 20 0 EHADRM Cc1cc(C)c(N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)c(C)c1 ZINC000832874023 601263425 /nfs/dbraw/zinc/26/34/25/601263425.db2.gz DZULXWGDQZFHQF-AWEZNQCLSA-N -1 0 344.436 3.589 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2c(-c3ccco3)nc3ccccn32)cc1 ZINC000821543974 601270540 /nfs/dbraw/zinc/27/05/40/601270540.db2.gz ASGUVHYUTFHVLE-UHFFFAOYSA-N -1 0 347.330 3.545 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N2CC3(CCCC3)c3ccccc32)C1 ZINC000180126407 601271017 /nfs/dbraw/zinc/27/10/17/601271017.db2.gz UTVTXRHMVPHEBK-GJZGRUSLSA-N -1 0 327.424 3.736 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)CCCN(C)C(=O)[O-] ZINC000827934029 601271241 /nfs/dbraw/zinc/27/12/41/601271241.db2.gz AUCACSHATQZKLR-OLZOCXBDSA-N -1 0 340.851 3.680 20 0 EHADRM CCC1CCC(NC(=O)c2ccc(C(F)F)cc2)(C(=O)[O-])CC1 ZINC000829094150 601276022 /nfs/dbraw/zinc/27/60/22/601276022.db2.gz OYUXGWIRNVCXPT-UHFFFAOYSA-N -1 0 325.355 3.778 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000776630611 601276456 /nfs/dbraw/zinc/27/64/56/601276456.db2.gz OTYGWCGJSYJOBP-MRXNPFEDSA-N -1 0 331.343 3.628 20 0 EHADRM C[C@H](C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1)C1CCCC1 ZINC000825991204 601279340 /nfs/dbraw/zinc/27/93/40/601279340.db2.gz YUWITKBMTUGGBL-LBPRGKRZSA-N -1 0 340.423 3.577 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000776588669 601280514 /nfs/dbraw/zinc/28/05/14/601280514.db2.gz NHZBDZASWVIRHB-SQFISAMPSA-N -1 0 341.382 3.733 20 0 EHADRM Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)c(F)c1 ZINC000236636246 601281179 /nfs/dbraw/zinc/28/11/79/601281179.db2.gz SRBVHTGWTGWIEZ-UHFFFAOYSA-N -1 0 331.343 3.872 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)C/C=C/c1cccc(F)c1)c1ccccc1 ZINC000139421684 601283606 /nfs/dbraw/zinc/28/36/06/601283606.db2.gz ATOXNJUISHBFMW-SUQGKYDKSA-N -1 0 341.382 3.951 20 0 EHADRM Cc1ccc([C@H](CNC(=O)C/C=C\c2cccc(F)c2)C(=O)[O-])cc1 ZINC000486403648 601284244 /nfs/dbraw/zinc/28/42/44/601284244.db2.gz HTFVNTXMFPKFLA-AJNOYIKESA-N -1 0 341.382 3.522 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)c(F)c1 ZINC000832913677 601284646 /nfs/dbraw/zinc/28/46/46/601284646.db2.gz OGXDEVQBHQGXJE-UHFFFAOYSA-N -1 0 339.269 3.686 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000825798753 601285546 /nfs/dbraw/zinc/28/55/46/601285546.db2.gz WQQWBEAVFKEBRL-BENRWUELSA-N -1 0 328.343 3.635 20 0 EHADRM CCN(C(=O)C/C=C\c1ccc(F)cc1)c1ccccc1C(=O)[O-] ZINC000829591116 601286715 /nfs/dbraw/zinc/28/67/15/601286715.db2.gz NRPJPELSOPWLKW-WAYWQWQTSA-N -1 0 327.355 3.980 20 0 EHADRM C[C@H](c1ccccc1)[C@](C)(O)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000827942193 601288165 /nfs/dbraw/zinc/28/81/65/601288165.db2.gz QUTDWKDIQYJXOE-ZMZPIMSZSA-N -1 0 347.798 3.531 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)C/C=C/c2ccc(F)cc2)c2ccccc21 ZINC000833216168 601289536 /nfs/dbraw/zinc/28/95/36/601289536.db2.gz ITFPSKPTDHLCTA-NHZBNJEXSA-N -1 0 339.366 3.834 20 0 EHADRM Cc1ccc(NCC(=O)Nc2cc(Cl)ccc2F)cc1C(=O)[O-] ZINC000832952193 601301951 /nfs/dbraw/zinc/30/19/51/601301951.db2.gz RYGHUSNBQPACQE-UHFFFAOYSA-N -1 0 336.750 3.536 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(Oc2ccccc2)nc1 ZINC000262976194 601308003 /nfs/dbraw/zinc/30/80/03/601308003.db2.gz QKKZBUYATJFITL-UHFFFAOYSA-N -1 0 342.395 3.637 20 0 EHADRM CCCCCOc1ccc(C(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1 ZINC000829363644 601316381 /nfs/dbraw/zinc/31/63/81/601316381.db2.gz KBJMVAOMKGNVAX-UHFFFAOYSA-N -1 0 330.384 3.545 20 0 EHADRM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000828149697 601335587 /nfs/dbraw/zinc/33/55/87/601335587.db2.gz MRORLFUOLOMHNB-WFASDCNBSA-N -1 0 342.370 3.934 20 0 EHADRM C[C@H](c1nc(COc2cccc(C(=O)[O-])c2)no1)c1cccc(F)c1 ZINC000827943089 601366890 /nfs/dbraw/zinc/36/68/90/601366890.db2.gz XBNPYEIRMWVNRW-NSHDSACASA-N -1 0 342.326 3.638 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=S)NC12CC3CC(CC(C3)C1)C2 ZINC000819626264 601367155 /nfs/dbraw/zinc/36/71/55/601367155.db2.gz NHKWMEPYRVYLCP-UHFFFAOYSA-N -1 0 344.480 3.569 20 0 EHADRM Cc1cccc([C@@H](C)c2nc(COc3cccc(C(=O)[O-])c3)no2)c1 ZINC000832965398 601367351 /nfs/dbraw/zinc/36/73/51/601367351.db2.gz AVQYQINPWCWJIY-CYBMUJFWSA-N -1 0 338.363 3.807 20 0 EHADRM O=C([O-])c1cccc(OCc2noc(-c3nccc4ccccc43)n2)c1 ZINC000833332849 601368648 /nfs/dbraw/zinc/36/86/48/601368648.db2.gz QUPGBYGUDPNWDL-UHFFFAOYSA-N -1 0 347.330 3.562 20 0 EHADRM C[C@H](NC(=O)COc1ccccc1NC(=O)[O-])c1ccc(Cl)cc1 ZINC000827635897 601368968 /nfs/dbraw/zinc/36/89/68/601368968.db2.gz IDPXCUOWNSILGB-NSHDSACASA-N -1 0 348.786 3.686 20 0 EHADRM Cc1nc(NC(=O)c2cc3c(cc(C)cc3C)[nH]2)sc1C(=O)[O-] ZINC000832875819 601383318 /nfs/dbraw/zinc/38/33/18/601383318.db2.gz XUACGLRTHZRGSO-UHFFFAOYSA-N -1 0 329.381 3.500 20 0 EHADRM CC(C)[C@H]1CN(C(=O)c2ccc(C(=O)[O-])s2)c2ccccc2N1 ZINC000826742272 601384076 /nfs/dbraw/zinc/38/40/76/601384076.db2.gz YGVCGZLFOIZLMA-GFCCVEGCSA-N -1 0 330.409 3.543 20 0 EHADRM Cc1[nH]c(=O)c(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1-c1ccccc1 ZINC000531995465 601386034 /nfs/dbraw/zinc/38/60/34/601386034.db2.gz QQMFVQVTVRWUHK-UHFFFAOYSA-N -1 0 348.358 3.713 20 0 EHADRM Cc1nc(C(=O)[O-])cn1CC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000832995238 601402021 /nfs/dbraw/zinc/40/20/21/601402021.db2.gz CBPKSQYZZYZCPN-UHFFFAOYSA-N -1 0 343.427 3.775 20 0 EHADRM COc1ccccc1C1(c2nc(-c3cccc(C(=O)[O-])c3)no2)CC1 ZINC000832601440 601403700 /nfs/dbraw/zinc/40/37/00/601403700.db2.gz JMMBIRWVQMUWTQ-UHFFFAOYSA-N -1 0 336.347 3.523 20 0 EHADRM C[C@@H](NC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)C1CCCC1 ZINC000827665269 601416969 /nfs/dbraw/zinc/41/69/69/601416969.db2.gz QARYNLVQHYWNEG-ABAIWWIYSA-N -1 0 338.835 3.734 20 0 EHADRM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000827928511 601423329 /nfs/dbraw/zinc/42/33/29/601423329.db2.gz HZFDDBYICFIGPV-ZDUSSCGKSA-N -1 0 344.411 3.780 20 0 EHADRM C/C(=C/COC(=O)c1ccccc1OCc1cccs1)C(=O)[O-] ZINC000825781647 601424945 /nfs/dbraw/zinc/42/49/45/601424945.db2.gz XMOFZVZJLBFZRX-WQLSENKSSA-N -1 0 332.377 3.515 20 0 EHADRM C/C(=C/COC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000825758628 601427253 /nfs/dbraw/zinc/42/72/53/601427253.db2.gz MYDZAKJFZZQIEP-SDKXAQGSSA-N -1 0 330.302 3.773 20 0 EHADRM O=C([O-])CC1(NC(=O)CC2CCC(c3ccccc3)CC2)CCC1 ZINC000262517266 601436847 /nfs/dbraw/zinc/43/68/47/601436847.db2.gz LOCTZPTWVXXYHX-UHFFFAOYSA-N -1 0 329.440 3.864 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CCC1 ZINC000262556571 601438283 /nfs/dbraw/zinc/43/82/83/601438283.db2.gz WRLFPKJPDKQXRN-OLZOCXBDSA-N -1 0 342.222 3.611 20 0 EHADRM C[C@@H](C(=O)Nc1cccc(F)c1C(=O)[O-])c1ccc(Cl)s1 ZINC000826021842 601447791 /nfs/dbraw/zinc/44/77/91/601447791.db2.gz UAZCHNXZBFNGDX-SSDOTTSWSA-N -1 0 327.764 3.981 20 0 EHADRM Cc1cc(NC(=O)Cc2coc3cc(F)ccc23)ccc1C(=O)[O-] ZINC000534876295 601450411 /nfs/dbraw/zinc/45/04/11/601450411.db2.gz VFTLWGOTSNNXSI-UHFFFAOYSA-N -1 0 327.311 3.760 20 0 EHADRM CSCCCCC(=O)Oc1ccc2c(c1)c(C(=O)[O-])c(C)n2C ZINC000832763104 601450522 /nfs/dbraw/zinc/45/05/22/601450522.db2.gz WFEZJKVOWGIPST-UHFFFAOYSA-N -1 0 335.425 3.624 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)c1ccc(Cl)cc1F ZINC000830390234 601459702 /nfs/dbraw/zinc/45/97/02/601459702.db2.gz BHZSAAVKOVPQAY-UHFFFAOYSA-N -1 0 326.707 3.690 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1sc2ccccc2c1Cl ZINC000237056996 601460190 /nfs/dbraw/zinc/46/01/90/601460190.db2.gz XCSZMVUMZHYBKY-HNNXBMFYSA-N -1 0 325.817 3.928 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000767051895 601470208 /nfs/dbraw/zinc/47/02/08/601470208.db2.gz SHHLEHHPJLRGAT-HWWQOWPSSA-N -1 0 344.238 3.857 20 0 EHADRM Cc1cccnc1C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000832983366 601473827 /nfs/dbraw/zinc/47/38/27/601473827.db2.gz GANPZGJWHIYAME-ZDUSSCGKSA-N -1 0 340.162 3.680 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@H]2CCCc3[nH]ccc32)ccc1Cl ZINC000833159696 601478485 /nfs/dbraw/zinc/47/84/85/601478485.db2.gz VWMPSAFBISTTTK-AWEZNQCLSA-N -1 0 333.775 3.565 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)C(C)(C)CC(C)C ZINC000832916523 601483987 /nfs/dbraw/zinc/48/39/87/601483987.db2.gz LPFYEAHLLYKKAL-CYBMUJFWSA-N -1 0 349.427 3.636 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)OC(=O)C(C)(C)CC(C)C ZINC000832916524 601484099 /nfs/dbraw/zinc/48/40/99/601484099.db2.gz LPFYEAHLLYKKAL-ZDUSSCGKSA-N -1 0 349.427 3.636 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)C[C@H](C)c1cccc(OC)c1 ZINC000830384304 601484600 /nfs/dbraw/zinc/48/46/00/601484600.db2.gz MPPSSAVKMYNTGY-LBPRGKRZSA-N -1 0 346.379 3.786 20 0 EHADRM CCOc1cc(C)ccc1NC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000656601768 601485202 /nfs/dbraw/zinc/48/52/02/601485202.db2.gz KAFQQLWKXYKHIM-UHFFFAOYSA-N -1 0 334.416 3.502 20 0 EHADRM Cc1cccc2cc(C(=O)N3CCc4ccccc4[C@H]3C(=O)[O-])oc21 ZINC000362672156 601487717 /nfs/dbraw/zinc/48/77/17/601487717.db2.gz YNKCHLNDWOXWPX-KRWDZBQOSA-N -1 0 335.359 3.565 20 0 EHADRM Cc1ccc(CNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c(OC(C)(C)C)c1 ZINC000180131283 601505170 /nfs/dbraw/zinc/50/51/70/601505170.db2.gz SAEJJHAUBSICPF-HUUCEWRRSA-N -1 0 347.455 3.680 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)O[C@@H](C2CCCC2)C(F)(F)F)cc1 ZINC000833101858 601505212 /nfs/dbraw/zinc/50/52/12/601505212.db2.gz FXPUUDDJFFWITL-HNNXBMFYSA-N -1 0 344.329 3.982 20 0 EHADRM C[C@H](CC(=O)N[C@@H](CC(=O)[O-])C1CC1)c1cccc(C(F)(F)F)c1 ZINC000767076033 601527958 /nfs/dbraw/zinc/52/79/58/601527958.db2.gz KVPFPQZYCPESJP-YGRLFVJLSA-N -1 0 343.345 3.569 20 0 EHADRM Cc1cc(C(=O)N(C)[C@@H](C)c2ccccc2)cc(C)c1OCC(=O)[O-] ZINC000237602377 601528117 /nfs/dbraw/zinc/52/81/17/601528117.db2.gz HSZFCEWVTYMMDJ-HNNXBMFYSA-N -1 0 341.407 3.600 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)/C=C/SCc1ccco1 ZINC000833333526 601571791 /nfs/dbraw/zinc/57/17/91/601571791.db2.gz BWOPGCIKAXJOGB-DHZHZOJOSA-N -1 0 343.404 3.704 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cnc2ccsc2c1)c1ccc(Cl)cc1 ZINC000683318298 601582758 /nfs/dbraw/zinc/58/27/58/601582758.db2.gz SPCHVBYTNJRFDS-AWEZNQCLSA-N -1 0 346.795 3.505 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(F)cc1Cl)c1ccc(Cl)cc1 ZINC000833126663 601583064 /nfs/dbraw/zinc/58/30/64/601583064.db2.gz ZMLJBULRUUPHGE-ZDUSSCGKSA-N -1 0 342.153 3.688 20 0 EHADRM CSCc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000345865353 601584268 /nfs/dbraw/zinc/58/42/68/601584268.db2.gz JQDCEPKOGXRIBE-OAHLLOKOSA-N -1 0 349.839 3.759 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)N[C@H](c2ccccc2F)C2CCCC2)C1 ZINC000263210642 601586037 /nfs/dbraw/zinc/58/60/37/601586037.db2.gz IRSSSJWPVQMYJO-YOEHRIQHSA-N -1 0 348.418 3.563 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cccc(C(F)F)c1)c1ccc(Cl)cc1 ZINC000833124446 601586778 /nfs/dbraw/zinc/58/67/78/601586778.db2.gz BFPJMSQCQPEBFU-CYBMUJFWSA-N -1 0 339.725 3.833 20 0 EHADRM Cc1nc(Cl)sc1C(=O)Oc1ccc(Cl)cc1C(=O)[O-] ZINC000833000475 601592048 /nfs/dbraw/zinc/59/20/48/601592048.db2.gz IKVODJNKHXRGJO-UHFFFAOYSA-N -1 0 332.164 3.676 20 0 EHADRM O=C([O-])[C@@H](OC(=O)Cc1cccc(F)c1F)c1cccc(Cl)c1 ZINC000833118946 601605321 /nfs/dbraw/zinc/60/53/21/601605321.db2.gz PKMVPFLOLUYGGK-HNNXBMFYSA-N -1 0 340.709 3.530 20 0 EHADRM O=C([O-])[C@@H](OC(=O)C[C@@H]1CCCCO1)c1ccc(Cl)cc1Cl ZINC000833094602 601605424 /nfs/dbraw/zinc/60/54/24/601605424.db2.gz XHZZPNSOOOWQKF-HZMBPMFUSA-N -1 0 347.194 3.622 20 0 EHADRM Cc1cc(F)ccc1NC(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832889736 601615972 /nfs/dbraw/zinc/61/59/72/601615972.db2.gz PPKPDNILQBBQPO-LRDDRELGSA-N -1 0 330.359 3.718 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccccc1Oc1ccccc1Cl)C(=O)[O-] ZINC000827493559 601616104 /nfs/dbraw/zinc/61/61/04/601616104.db2.gz VYJHWDNGOJZHFR-NSHDSACASA-N -1 0 348.786 3.975 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccccc1CC(=O)[O-] ZINC000236887379 601616233 /nfs/dbraw/zinc/61/62/33/601616233.db2.gz KUXLJXKKUKFVMC-CQSZACIVSA-N -1 0 341.407 3.845 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)N[C@H](CC(=O)[O-])C3CC3)cc2s1 ZINC000827152441 601621781 /nfs/dbraw/zinc/62/17/81/601621781.db2.gz HBICSXYZOZCIPR-CYBMUJFWSA-N -1 0 347.440 3.795 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)C1 ZINC000647167628 601623619 /nfs/dbraw/zinc/62/36/19/601623619.db2.gz MWCSMLQBBMJAHL-BFYDXBDKSA-N -1 0 333.403 3.770 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CN1CCc2[nH]c3ccccc3c2C1 ZINC000578137723 601629468 /nfs/dbraw/zinc/62/94/68/601629468.db2.gz UKGQKTJAFKRGFF-UHFFFAOYSA-N -1 0 326.421 3.794 20 0 EHADRM Cc1nc(-c2ccc(OCc3cc(C(=O)[O-])sc3C)cc2)no1 ZINC000832991483 601629839 /nfs/dbraw/zinc/62/98/39/601629839.db2.gz UQXLJDDYSNNZFL-UHFFFAOYSA-N -1 0 330.365 3.692 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCCC[C@@H]2[C@H]2CCCCC2=O)s1 ZINC000833309758 601630814 /nfs/dbraw/zinc/63/08/14/601630814.db2.gz LSHRKQNZLAMAQT-CHWSQXEVSA-N -1 0 349.452 3.590 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COc1cccc(Oc2ncccn2)c1 ZINC000833031882 601634196 /nfs/dbraw/zinc/63/41/96/601634196.db2.gz UZOWRUUEZRAITP-UHFFFAOYSA-N -1 0 342.376 3.916 20 0 EHADRM Cc1ccccc1[C@H]1CN(Cc2ccc(C(=O)[O-])c(F)c2)[C@H](C)CO1 ZINC000659787332 601643942 /nfs/dbraw/zinc/64/39/42/601643942.db2.gz FNPPGGXIVKDYRX-AUUYWEPGSA-N -1 0 343.398 3.794 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCCc2ccc(F)c(F)c2)s1 ZINC000833098289 601655070 /nfs/dbraw/zinc/65/50/70/601655070.db2.gz NACQOCIGEJNOSF-UHFFFAOYSA-N -1 0 325.336 3.686 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NCc1csc(C(C)(C)C)n1)c1ccccc1 ZINC000277534955 601657262 /nfs/dbraw/zinc/65/72/62/601657262.db2.gz ZJKZBFARCIMKFB-SWLSCSKDSA-N -1 0 332.469 3.992 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cc(F)cc(Cl)c1)c1ccc(F)cc1 ZINC000833199254 601666636 /nfs/dbraw/zinc/66/66/36/601666636.db2.gz TXKDRSSUWVNWHD-AWEZNQCLSA-N -1 0 339.725 3.564 20 0 EHADRM CC(C)(CNC(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1)C(=O)[O-] ZINC000826575905 601670647 /nfs/dbraw/zinc/67/06/47/601670647.db2.gz DCLGVLXXJOCJIE-AWEZNQCLSA-N -1 0 338.835 3.591 20 0 EHADRM Cc1cc(C(=O)[O-])c2sc(NC(=O)C3(CC(C)C)CCC3)nc2n1 ZINC000832867012 601671414 /nfs/dbraw/zinc/67/14/14/601671414.db2.gz JBHDSBRLOOBUHO-UHFFFAOYSA-N -1 0 347.440 3.853 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)CCCc1ccc(F)c(F)c1 ZINC000833098145 601671533 /nfs/dbraw/zinc/67/15/33/601671533.db2.gz IGMMMCMBEHKFPM-UHFFFAOYSA-N -1 0 325.336 3.686 20 0 EHADRM CC[C@H](C)c1ccc(C(=O)Nc2nnc(CCCC(=O)[O-])s2)cc1 ZINC000828763760 601680754 /nfs/dbraw/zinc/68/07/54/601680754.db2.gz BATQGFFGAXTMSM-NSHDSACASA-N -1 0 347.440 3.711 20 0 EHADRM C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)NCC(C)(C)C(=O)[O-] ZINC000827928823 601682569 /nfs/dbraw/zinc/68/25/69/601682569.db2.gz RFBUEBMQMKNAAX-SNVBAGLBSA-N -1 0 346.349 3.519 20 0 EHADRM COc1cc(NCc2c(F)cccc2Cl)c(C(=O)[O-])cc1OC ZINC000832026734 601685904 /nfs/dbraw/zinc/68/59/04/601685904.db2.gz RJQQEFWPVNSAPH-UHFFFAOYSA-N -1 0 339.750 3.807 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2ccc3c4c(cccc42)CC3)CCCC1 ZINC000833134723 601688597 /nfs/dbraw/zinc/68/85/97/601688597.db2.gz AWCVSBKAJGCVBR-UHFFFAOYSA-N -1 0 338.407 3.705 20 0 EHADRM O=C([O-])C1(CNC(=O)Nc2cc(Cl)cc3cccnc32)CCCC1 ZINC000833135666 601689557 /nfs/dbraw/zinc/68/95/57/601689557.db2.gz GJUYKIGGZXXWLS-UHFFFAOYSA-N -1 0 347.802 3.655 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)ccc1F ZINC000832870327 601697334 /nfs/dbraw/zinc/69/73/34/601697334.db2.gz GREIFZAYAVUVSS-SNVBAGLBSA-N -1 0 334.322 3.854 20 0 EHADRM COc1ccc(Cl)cc1C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000832367542 601702709 /nfs/dbraw/zinc/70/27/09/601702709.db2.gz IAHQIVUYDFVBGI-UHFFFAOYSA-N -1 0 338.718 3.543 20 0 EHADRM CC(C)(CNC(=O)c1ccccc1Sc1ccccc1)C(=O)[O-] ZINC000236712228 601709648 /nfs/dbraw/zinc/70/96/48/601709648.db2.gz INBHAUFSTHILCJ-UHFFFAOYSA-N -1 0 329.421 3.678 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)cc1F ZINC000833313846 601714030 /nfs/dbraw/zinc/71/40/30/601714030.db2.gz DHNFUZAFAKFFHE-GJZGRUSLSA-N -1 0 332.302 3.510 20 0 EHADRM C[C@H](N(C)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)C1(C)CC1 ZINC000827603141 601722202 /nfs/dbraw/zinc/72/22/02/601722202.db2.gz GFNISMIXEIMDJQ-VIFPVBQESA-N -1 0 342.342 3.639 20 0 EHADRM CC[C@@H](C(=O)OCc1cc(C(=O)[O-])sc1C)c1c(C)noc1C ZINC000828604125 601726796 /nfs/dbraw/zinc/72/67/96/601726796.db2.gz VWXDNJPBCZZNLR-GFCCVEGCSA-N -1 0 337.397 3.597 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000827581735 601728497 /nfs/dbraw/zinc/72/84/97/601728497.db2.gz QKHWECNLYWUKQA-LBPRGKRZSA-N -1 0 348.395 3.996 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)CNc1ccccc1Cl ZINC000833032207 601728981 /nfs/dbraw/zinc/72/89/81/601728981.db2.gz VXXPJWUGPDCPEL-UHFFFAOYSA-N -1 0 339.800 3.563 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)Cc1c[nH]c2c1cccc2C ZINC000833031988 601730912 /nfs/dbraw/zinc/73/09/12/601730912.db2.gz RHQKHBHVWLXOJR-UHFFFAOYSA-N -1 0 343.404 3.830 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)c1ccccc1F ZINC000678987233 601735646 /nfs/dbraw/zinc/73/56/46/601735646.db2.gz IZCDSOXDHPFJKD-IJEWVQPXSA-N -1 0 347.773 3.525 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc(Cl)ccc1Cl)c1ccccc1F ZINC000678985009 601737228 /nfs/dbraw/zinc/73/72/28/601737228.db2.gz AALNQQAECUJJAQ-CYBMUJFWSA-N -1 0 342.153 3.688 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2cccc(Cl)c2o1)c1ccccc1F ZINC000833125746 601737943 /nfs/dbraw/zinc/73/79/43/601737943.db2.gz YRUYFHFVYYTZTB-AWEZNQCLSA-N -1 0 347.729 3.781 20 0 EHADRM CC1(C)CN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c2ccccc2S1 ZINC000828068745 601739449 /nfs/dbraw/zinc/73/94/49/601739449.db2.gz BJACQOYXEFXZAF-OLZOCXBDSA-N -1 0 333.453 3.795 20 0 EHADRM CN(CCCC(=O)N[C@@H](c1ccccc1F)C1CCCC1)C(=O)[O-] ZINC000830759359 601739719 /nfs/dbraw/zinc/73/97/19/601739719.db2.gz ZNPLHIAARLTXHK-QGZVFWFLSA-N -1 0 336.407 3.563 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2ccc(F)cc2s1)c1ccccc1F ZINC000833124325 601743922 /nfs/dbraw/zinc/74/39/22/601743922.db2.gz ACSGAVIOSHJQIB-OAHLLOKOSA-N -1 0 347.342 3.735 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1F ZINC000678985131 601744299 /nfs/dbraw/zinc/74/42/99/601744299.db2.gz BFLNEGYQSPIJIS-HNNXBMFYSA-N -1 0 346.745 3.516 20 0 EHADRM O=C([O-])CCCc1csc(NC(=O)c2cc3ccccc3o2)n1 ZINC000321186296 601745402 /nfs/dbraw/zinc/74/54/02/601745402.db2.gz ROBABXSYLKMHGJ-UHFFFAOYSA-N -1 0 330.365 3.549 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)NCC(C)(C)C(=O)[O-])cc2s1 ZINC000827152854 601753689 /nfs/dbraw/zinc/75/36/89/601753689.db2.gz LGZSDVJHUDTJAS-UHFFFAOYSA-N -1 0 335.429 3.652 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CC[C@H](C(C)C)C1 ZINC000827041444 601789597 /nfs/dbraw/zinc/78/95/97/601789597.db2.gz DSIUOICHFFCBHG-AWEZNQCLSA-N -1 0 334.416 3.682 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2cc3cccc(Cl)c3o2)cc1 ZINC000833266563 601801366 /nfs/dbraw/zinc/80/13/66/601801366.db2.gz QGRWWZZYCKZQGI-UHFFFAOYSA-N -1 0 329.739 3.966 20 0 EHADRM Cc1cc(CCCC(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c(C)s1 ZINC000345768823 601801702 /nfs/dbraw/zinc/80/17/02/601801702.db2.gz BKBSXXSGKDGZJL-ZACQAIPSSA-N -1 0 349.496 3.932 20 0 EHADRM Cc1cc(CCCC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c(C)s1 ZINC000621557251 601802916 /nfs/dbraw/zinc/80/29/16/601802916.db2.gz BOICKQZGWPBYHI-UHFFFAOYSA-N -1 0 343.448 3.928 20 0 EHADRM CC[C@H](CNC(=O)c1cccc(NC(=O)[O-])c1)Oc1cccc(F)c1 ZINC000828884267 601806103 /nfs/dbraw/zinc/80/61/03/601806103.db2.gz RXZXYACLHAJKFK-OAHLLOKOSA-N -1 0 346.358 3.503 20 0 EHADRM COc1ccc(C)cc1CC(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000832258406 601807349 /nfs/dbraw/zinc/80/73/49/601807349.db2.gz JNSAZXAIBBGFIS-UHFFFAOYSA-N -1 0 345.420 3.822 20 0 EHADRM C[C@H]1CCCC[C@H]1OCC(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000828251552 601807923 /nfs/dbraw/zinc/80/79/23/601807923.db2.gz KWNSXOBVGQLMHQ-GXFFZTMASA-N -1 0 337.441 3.858 20 0 EHADRM O=C([O-])c1ccccc1NCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000833334368 601811819 /nfs/dbraw/zinc/81/18/19/601811819.db2.gz DAGFZOTYQKGUML-UHFFFAOYSA-N -1 0 329.743 3.700 20 0 EHADRM C[C@@H]1CCC[C@H](C)N1C(=O)CSCc1ccc(C(=O)[O-])c(F)c1 ZINC000828237646 601814116 /nfs/dbraw/zinc/81/41/16/601814116.db2.gz CQSKNCRWMVYAMG-TXEJJXNPSA-N -1 0 339.432 3.547 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)CC1 ZINC000537479839 601814552 /nfs/dbraw/zinc/81/45/52/601814552.db2.gz PPVSDKHWMCENBY-HOTGVXAUSA-N -1 0 335.831 3.547 20 0 EHADRM CC(C)CCOc1ccc(C(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000537479677 601814968 /nfs/dbraw/zinc/81/49/68/601814968.db2.gz OICFLPSOUOSCTI-UHFFFAOYSA-N -1 0 347.455 3.829 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1cc(F)cc(Cl)c1)c1ccccc1 ZINC000828594628 601815139 /nfs/dbraw/zinc/81/51/39/601815139.db2.gz HXUZRRGSIATBKF-HNNXBMFYSA-N -1 0 335.762 3.989 20 0 EHADRM CCCCc1ccc(CC(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000324290446 601816488 /nfs/dbraw/zinc/81/64/88/601816488.db2.gz AGCDVAHCTPLVSL-UHFFFAOYSA-N -1 0 331.456 3.675 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)N2CCC(CCC(=O)[O-])CC2)c1C ZINC000659396957 601827348 /nfs/dbraw/zinc/82/73/48/601827348.db2.gz FGKWXJIFULGOND-OAHLLOKOSA-N -1 0 332.444 3.651 20 0 EHADRM O=C([O-])CCC1CCN(Cc2cc(F)cc(Br)c2)CC1 ZINC000093996294 601839792 /nfs/dbraw/zinc/83/97/92/601839792.db2.gz HFRIEWGBYJITNY-UHFFFAOYSA-N -1 0 344.224 3.665 20 0 EHADRM COc1cccc([C@H](C)CC(=O)OCc2cccc(C(=O)[O-])c2)c1 ZINC000832533766 601843390 /nfs/dbraw/zinc/84/33/90/601843390.db2.gz PUHPYJCASTTXHD-CYBMUJFWSA-N -1 0 328.364 3.630 20 0 EHADRM Cc1ccc(-c2nnc(SCc3ccc(C(=O)[O-])s3)n2C)cc1 ZINC000832907726 601845347 /nfs/dbraw/zinc/84/53/47/601845347.db2.gz JOTGSWFTMUSNGW-UHFFFAOYSA-N -1 0 345.449 3.843 20 0 EHADRM CCC[C@@](C)(NC(=O)c1cncc(-c2ccc(Cl)cc2)c1)C(=O)[O-] ZINC000829194081 601848442 /nfs/dbraw/zinc/84/84/42/601848442.db2.gz UGRYMVMYXBIPCP-GOSISDBHSA-N -1 0 346.814 3.775 20 0 EHADRM COc1ccc(NC(=O)c2cncc(-c3ccccc3)c2)c(C(=O)[O-])c1 ZINC000832408151 601851101 /nfs/dbraw/zinc/85/11/01/601851101.db2.gz QCVOCNYVVZGLGE-UHFFFAOYSA-N -1 0 348.358 3.708 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)C2(c3ccccc3)CC2)cc1 ZINC000833263648 601874333 /nfs/dbraw/zinc/87/43/33/601874333.db2.gz PMKHQJASVLPYSN-UHFFFAOYSA-N -1 0 328.389 3.501 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2c[nH]cc2-c2ccc(F)cc2)cc1F ZINC000833320303 601877551 /nfs/dbraw/zinc/87/75/51/601877551.db2.gz XTCFMEWRCINLII-UHFFFAOYSA-N -1 0 342.301 3.910 20 0 EHADRM Cc1ccccc1SCC(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC000832981687 601878621 /nfs/dbraw/zinc/87/86/21/601878621.db2.gz MCCKKPYBMHMNNA-UHFFFAOYSA-N -1 0 348.445 3.869 20 0 EHADRM CCC[C@@H]1CCCN(C(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000829254787 601881387 /nfs/dbraw/zinc/88/13/87/601881387.db2.gz FBQQLWANBKAXNR-OAHLLOKOSA-N -1 0 333.432 3.541 20 0 EHADRM Cc1csc(-c2ccc(NC(=O)[C@@H](CC(C)C)NC(=O)[O-])cc2)n1 ZINC000738814404 601891084 /nfs/dbraw/zinc/89/10/84/601891084.db2.gz QEDHXNHQTWPSHV-CQSZACIVSA-N -1 0 347.440 3.739 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)[C@@H]1CCSc2ccccc21 ZINC000833132031 601902193 /nfs/dbraw/zinc/90/21/93/601902193.db2.gz PPBDKTPOOJMMKA-BZUAXINKSA-N -1 0 347.480 3.806 20 0 EHADRM CSCc1ccc(C(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])cc1 ZINC000537410698 601908363 /nfs/dbraw/zinc/90/83/63/601908363.db2.gz IGRLEYFMMLDZKQ-HZPDHXFCSA-N -1 0 335.469 3.703 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000262099778 601909544 /nfs/dbraw/zinc/90/95/44/601909544.db2.gz IXESWGIDUNLPQU-YIYPIFLZSA-N -1 0 349.393 3.895 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)c1ccc(F)cc1Cl ZINC000833131806 601909997 /nfs/dbraw/zinc/90/99/97/601909997.db2.gz GSZYVANCPKUVDY-GXTWGEPZSA-N -1 0 327.783 3.633 20 0 EHADRM Cc1oc(CSCC(=O)NCCC2CCCCC2)cc1C(=O)[O-] ZINC000833027192 601912251 /nfs/dbraw/zinc/91/22/51/601912251.db2.gz PHVGKRVBDKDFSK-UHFFFAOYSA-N -1 0 339.457 3.606 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)c1ccc(Cl)cc1F ZINC000262064528 601914574 /nfs/dbraw/zinc/91/45/74/601914574.db2.gz BOFFKAOQPSYPFX-GXTWGEPZSA-N -1 0 327.783 3.633 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)Cc2c(Cl)cccc2Cl)c1 ZINC000238136102 601923788 /nfs/dbraw/zinc/92/37/88/601923788.db2.gz NZYCXCDAAXRFLM-UHFFFAOYSA-N -1 0 338.190 3.551 20 0 EHADRM Cc1cc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c(Cl)cc1F ZINC000192960488 601954374 /nfs/dbraw/zinc/95/43/74/601954374.db2.gz ZHWSZEHEUSNACZ-LBPRGKRZSA-N -1 0 333.746 3.616 20 0 EHADRM Cc1ccc(Br)c(C(=O)NCCCCCCC(=O)[O-])c1 ZINC000161390200 601962439 /nfs/dbraw/zinc/96/24/39/601962439.db2.gz IQUZJFITHGERBY-UHFFFAOYSA-N -1 0 342.233 3.522 20 0 EHADRM O=C([O-])Nc1cc(C(=O)NCC2CCCC2)cc(C(F)(F)F)c1 ZINC000833281732 601973801 /nfs/dbraw/zinc/97/38/01/601973801.db2.gz NHZOOKYAJILEPE-UHFFFAOYSA-N -1 0 330.306 3.715 20 0 EHADRM Cc1cc(Cl)cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000190494574 601988240 /nfs/dbraw/zinc/98/82/40/601988240.db2.gz FNXJJBRPYOJSEO-HNNXBMFYSA-N -1 0 335.762 3.733 20 0 EHADRM Cc1coc(-c2ccc(C)c(NC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)c2)n1 ZINC000832987410 601993428 /nfs/dbraw/zinc/99/34/28/601993428.db2.gz GEHCVBSALCBEKD-UKRRQHHQSA-N -1 0 342.395 3.788 20 0 EHADRM CCCN1Cc2cccc(NC(=O)c3ccc(NC(=O)[O-])cc3)c2C1 ZINC000737029879 601998364 /nfs/dbraw/zinc/99/83/64/601998364.db2.gz FSMOISVHTRECAH-UHFFFAOYSA-N -1 0 339.395 3.754 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cnc(Cl)c(Cl)c2)s1 ZINC000833352782 602001415 /nfs/dbraw/zinc/00/14/15/602001415.db2.gz ITMJQVMPMRVTKU-UHFFFAOYSA-N -1 0 332.164 3.505 20 0 EHADRM O=C([O-])c1ccc(COC(=O)CCc2ccc3ccccc3n2)s1 ZINC000833102190 602001559 /nfs/dbraw/zinc/00/15/59/602001559.db2.gz FOKFOSUNPUTEEP-UHFFFAOYSA-N -1 0 341.388 3.671 20 0 EHADRM CC[C@](NC(=O)c1cccc(Cl)c1F)(C(=O)[O-])c1ccccc1 ZINC000828976280 602004128 /nfs/dbraw/zinc/00/41/28/602004128.db2.gz ANMPHKJIONJNRP-QGZVFWFLSA-N -1 0 335.762 3.599 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cccn2Cc2cccs2)s1 ZINC000833315669 602006193 /nfs/dbraw/zinc/00/61/93/602006193.db2.gz ZYUSRLZZHBHNSC-UHFFFAOYSA-N -1 0 347.417 3.715 20 0 EHADRM CCN(CC)[C@H](C(=O)OCc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000829666626 602008118 /nfs/dbraw/zinc/00/81/18/602008118.db2.gz NQXCQOLAYVBJBX-INIZCTEOSA-N -1 0 347.436 3.573 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2cc(Cl)nc(Cl)c2)s1 ZINC000833353557 602010829 /nfs/dbraw/zinc/01/08/29/602010829.db2.gz UTYXUTRKYOIQMN-UHFFFAOYSA-N -1 0 332.164 3.505 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)OCc2ccc(C(=O)[O-])s2)c1 ZINC000832533304 602012890 /nfs/dbraw/zinc/01/28/90/602012890.db2.gz KZEPXWQOBQLDDX-NSHDSACASA-N -1 0 334.393 3.692 20 0 EHADRM Cc1ccc(SC2(C(=O)N3CC[C@](C)(C(=O)[O-])C3)CCCC2)cc1 ZINC000237861252 602014689 /nfs/dbraw/zinc/01/46/89/602014689.db2.gz FZAFLZFPNXQGKJ-SFHVURJKSA-N -1 0 347.480 3.723 20 0 EHADRM COc1ccc2cc(C(=O)Nc3cc(NC(=O)[O-])ccc3F)[nH]c2c1 ZINC000739936114 602026035 /nfs/dbraw/zinc/02/60/35/602026035.db2.gz HCSNGQVGLHXPIR-UHFFFAOYSA-N -1 0 343.314 3.658 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccccc2Sc2ccccc2)C1 ZINC000237654344 602033955 /nfs/dbraw/zinc/03/39/55/602033955.db2.gz GDDPZSNSBIGXAA-IBGZPJMESA-N -1 0 341.432 3.775 20 0 EHADRM Cc1cc(OC(C)C)ccc1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000669496602 602034223 /nfs/dbraw/zinc/03/42/23/602034223.db2.gz OOGNDLMIUNLRAF-UHFFFAOYSA-N -1 0 342.395 3.802 20 0 EHADRM O=C([O-])Nc1cc(C(=O)OC[C@@H]2CCSC2)cc(C(F)(F)F)c1 ZINC000833282995 602041448 /nfs/dbraw/zinc/04/14/48/602041448.db2.gz CQXADUOKNSFUMA-QMMMGPOBSA-N -1 0 349.330 3.705 20 0 EHADRM O=C([O-])N[C@@H]1CCCN(C(=O)Nc2cccc(-c3cccs3)c2)C1 ZINC000738649926 602050999 /nfs/dbraw/zinc/05/09/99/602050999.db2.gz GFULFWHKBLTRTH-CQSZACIVSA-N -1 0 345.424 3.679 20 0 EHADRM C[C@H](NC(=O)Nc1cccc(C(F)F)c1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738991640 602051043 /nfs/dbraw/zinc/05/10/43/602051043.db2.gz VBGMDORNJNHGFR-CMPLNLGQSA-N -1 0 341.358 3.524 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2[nH]c3ccc(F)cc3c2Cl)c1 ZINC000362749370 602056872 /nfs/dbraw/zinc/05/68/72/602056872.db2.gz XQRZXCYXQBOZEN-UHFFFAOYSA-N -1 0 346.745 3.589 20 0 EHADRM CC(C)c1ccc(N(C)C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000191621254 602058938 /nfs/dbraw/zinc/05/89/38/602058938.db2.gz VNIOXNPOMOSURJ-UHFFFAOYSA-N -1 0 342.351 3.693 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)N[C@H]1CCCOc2ccccc21 ZINC000833225525 602065362 /nfs/dbraw/zinc/06/53/62/602065362.db2.gz XFZILBYZBYDMRW-INIZCTEOSA-N -1 0 348.443 3.625 20 0 EHADRM Cc1ccc(CCC(=O)Nc2cccc(CC(=O)[O-])c2)cc1Cl ZINC000390862609 602069297 /nfs/dbraw/zinc/06/92/97/602069297.db2.gz KYGACJLFGPKAGL-UHFFFAOYSA-N -1 0 331.799 3.847 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Cc2c(Cl)cccc2Cl)c1 ZINC000238110134 602071037 /nfs/dbraw/zinc/07/10/37/602071037.db2.gz CFFDNGLNBKLACO-UHFFFAOYSA-N -1 0 338.190 3.802 20 0 EHADRM CC(C)Cc1ccc(CC(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000263190257 602071371 /nfs/dbraw/zinc/07/13/71/602071371.db2.gz YGDLZBJFCGKXOT-UHFFFAOYSA-N -1 0 325.408 3.693 20 0 EHADRM CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000236714130 602073172 /nfs/dbraw/zinc/07/31/72/602073172.db2.gz QOAFAGOFGALHIW-UHFFFAOYSA-N -1 0 347.798 3.763 20 0 EHADRM CCN(c1ccc(C(=O)Nc2cccc(CC(=O)[O-])c2)cc1)C(C)C ZINC000676210966 602076887 /nfs/dbraw/zinc/07/68/87/602076887.db2.gz ONQABZLRTSRHQU-UHFFFAOYSA-N -1 0 340.423 3.801 20 0 EHADRM CCOc1ccc(-c2nc(NC(=O)[C@@H](C)CC(=O)[O-])sc2C)cc1 ZINC000830054249 602078900 /nfs/dbraw/zinc/07/89/00/602078900.db2.gz WTVOXKIGZRNGLO-JTQLQIEISA-N -1 0 348.424 3.567 20 0 EHADRM C[C@@H](C(=O)O[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1)C(F)(F)F ZINC000826061313 602087403 /nfs/dbraw/zinc/08/74/03/602087403.db2.gz KGZSPFNFEXBSRR-SSDLBLMSSA-N -1 0 345.100 3.861 20 0 EHADRM CCCOc1cccc(NC(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000737830778 602090950 /nfs/dbraw/zinc/09/09/50/602090950.db2.gz PZXICAWEBMLBQJ-UHFFFAOYSA-N -1 0 328.368 3.747 20 0 EHADRM Cn1nc(C2CCCCC2)cc1NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000833059850 602103555 /nfs/dbraw/zinc/10/35/55/602103555.db2.gz AQRRPXQLLVUEFD-UHFFFAOYSA-N -1 0 342.399 3.810 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N[C@H](CCc1ccccc1)c1ccccc1 ZINC000827272531 602105549 /nfs/dbraw/zinc/10/55/49/602105549.db2.gz OHOJMOJXJKGLDR-MAUKXSAKSA-N -1 0 325.408 3.588 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)Nc2cc(F)cc(Cl)c2)cc1 ZINC000833281588 602109041 /nfs/dbraw/zinc/10/90/41/602109041.db2.gz IKUGRXRGNZPTGK-UHFFFAOYSA-N -1 0 337.738 3.891 20 0 EHADRM Cc1cc(Cl)cc(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000317583078 602110130 /nfs/dbraw/zinc/11/01/30/602110130.db2.gz NKFOSLMPGICBDX-UHFFFAOYSA-N -1 0 325.698 3.877 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COc1c(Cl)cccc1[N+](=O)[O-] ZINC000235846095 602125259 /nfs/dbraw/zinc/12/52/59/602125259.db2.gz OUYFHONUORILDB-UHFFFAOYSA-N -1 0 327.745 3.895 20 0 EHADRM O=C([O-])c1sc(-c2ccccc2)cc1OCCC1OCCCO1 ZINC000833346552 602126727 /nfs/dbraw/zinc/12/67/27/602126727.db2.gz OJNFSVPWAYHJDU-UHFFFAOYSA-N -1 0 334.393 3.645 20 0 EHADRM Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)[C@H](C)CC(=O)[O-])c1 ZINC000832963793 602132932 /nfs/dbraw/zinc/13/29/32/602132932.db2.gz PGRAFYGXYOHRLP-CYBMUJFWSA-N -1 0 343.427 3.528 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 ZINC000739238001 602133016 /nfs/dbraw/zinc/13/30/16/602133016.db2.gz PVAAMTQSTUPPAT-MEBBXXQBSA-N -1 0 345.399 3.579 20 0 EHADRM CC(C)[C@@H](NC(=O)[C@@H](C)CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000827270886 602141015 /nfs/dbraw/zinc/14/10/15/602141015.db2.gz FEIJYBAMACLQPR-IINYFYTJSA-N -1 0 331.334 3.630 20 0 EHADRM Cc1cc(NC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)sn1 ZINC000832896028 602142874 /nfs/dbraw/zinc/14/28/74/602142874.db2.gz DGPSDNZNAQJPDF-UHFFFAOYSA-N -1 0 345.302 3.813 20 0 EHADRM Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)[C@H](C)CC(=O)[O-] ZINC000832900534 602146044 /nfs/dbraw/zinc/14/60/44/602146044.db2.gz DQWPPUMLNMPRMB-CYBMUJFWSA-N -1 0 345.370 3.762 20 0 EHADRM CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1cccc(SC(F)F)c1 ZINC000739300300 602152642 /nfs/dbraw/zinc/15/26/42/602152642.db2.gz YZSXZJYGWUPZSY-CQSZACIVSA-N -1 0 332.372 3.766 20 0 EHADRM C[C@@H](NC(=O)[O-])C(=O)Nc1ccccc1-c1nc2ccccc2s1 ZINC000738994150 602170271 /nfs/dbraw/zinc/17/02/71/602170271.db2.gz JKSUJOMQPZAJHU-SNVBAGLBSA-N -1 0 341.392 3.558 20 0 EHADRM COc1cccc([C@H](C)C(=O)Nc2cc(OC)ccc2NC(=O)[O-])c1 ZINC000739945279 602172527 /nfs/dbraw/zinc/17/25/27/602172527.db2.gz JMRLVGDHIJRGEQ-NSHDSACASA-N -1 0 344.367 3.536 20 0 EHADRM C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1NC(=O)[O-] ZINC000739051787 602176119 /nfs/dbraw/zinc/17/61/19/602176119.db2.gz BPNRFAFFXUATAE-JTQLQIEISA-N -1 0 334.759 3.836 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)COc1ccc(F)c(Cl)c1 ZINC000740714625 602176937 /nfs/dbraw/zinc/17/69/37/602176937.db2.gz VOLGPEGPFJPZSR-UHFFFAOYSA-N -1 0 338.722 3.587 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000832958931 602181136 /nfs/dbraw/zinc/18/11/36/602181136.db2.gz WDTZLIGHRUPSGM-AWEZNQCLSA-N -1 0 342.420 3.792 20 0 EHADRM O=C([O-])c1csc(NC(=O)CSCc2ccc(Cl)cc2)c1 ZINC000191379082 602181572 /nfs/dbraw/zinc/18/15/72/602181572.db2.gz WMESELZPBOEWSZ-UHFFFAOYSA-N -1 0 341.841 3.972 20 0 EHADRM Cc1c(C(=O)Nc2cc(C(=O)[O-])cs2)cnn1-c1ccccc1C ZINC000191348343 602187686 /nfs/dbraw/zinc/18/76/86/602187686.db2.gz ZOOIZPZYMXVTPY-UHFFFAOYSA-N -1 0 341.392 3.501 20 0 EHADRM CC[C@H](OC(=O)[C@H](C)CC(=O)[O-])c1cccc(Br)c1 ZINC000829004658 602189826 /nfs/dbraw/zinc/18/98/26/602189826.db2.gz OCCZZRWCMFYSOQ-SKDRFNHKSA-N -1 0 329.190 3.554 20 0 EHADRM CC[C@@H](OC(=O)[C@@H](C)CC(=O)[O-])c1cccc(Br)c1 ZINC000829004657 602189877 /nfs/dbraw/zinc/18/98/77/602189877.db2.gz OCCZZRWCMFYSOQ-JOYOIKCWSA-N -1 0 329.190 3.554 20 0 EHADRM C/C(=C\C(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccc(F)cc1 ZINC000738505461 602198332 /nfs/dbraw/zinc/19/83/32/602198332.db2.gz RYNOXFSILYMKRX-FMIVXFBMSA-N -1 0 328.343 3.635 20 0 EHADRM C[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739055534 602199957 /nfs/dbraw/zinc/19/99/57/602199957.db2.gz PMMUDJCQWPTCPV-NSHDSACASA-N -1 0 348.786 3.514 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000740680768 602202263 /nfs/dbraw/zinc/20/22/63/602202263.db2.gz VEXJKHNDMZDCRT-UHFFFAOYSA-N -1 0 338.285 3.725 20 0 EHADRM Cc1ccc(C)c(SCC(=O)Nc2cccc(CNC(=O)[O-])c2)c1 ZINC000740119634 602202650 /nfs/dbraw/zinc/20/26/50/602202650.db2.gz QSTRURSPZQGRPY-UHFFFAOYSA-N -1 0 344.436 3.802 20 0 EHADRM CC(C)c1cccc(OCC(=O)Nc2cccc(CNC(=O)[O-])c2)c1 ZINC000738878143 602203407 /nfs/dbraw/zinc/20/34/07/602203407.db2.gz WOWMCDFPFRSDAV-UHFFFAOYSA-N -1 0 342.395 3.595 20 0 EHADRM CC[C@]1(C)CCN(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC000829049913 602206784 /nfs/dbraw/zinc/20/67/84/602206784.db2.gz HRICLZYMWJONOH-MRXNPFEDSA-N -1 0 342.342 3.640 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)NCC2CCCC2)c2ccccc12 ZINC000833258028 602223506 /nfs/dbraw/zinc/22/35/06/602223506.db2.gz VYYCUNMLZUXHJC-UHFFFAOYSA-N -1 0 342.395 3.615 20 0 EHADRM C[C@@H]1[C@@H](C)CCN1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000828278884 602224254 /nfs/dbraw/zinc/22/42/54/602224254.db2.gz STYXSCCEBVUVQR-QWHCGFSZSA-N -1 0 342.395 3.565 20 0 EHADRM Cc1nc(CN[C@H](C(=O)[O-])C(C)(C)C)oc1-c1ccc(Cl)cc1 ZINC000832997577 602227707 /nfs/dbraw/zinc/22/77/07/602227707.db2.gz FXPATMLYCYQWGA-OAHLLOKOSA-N -1 0 336.819 3.892 20 0 EHADRM C[C@H]1CCCC[C@@H]1NC(=S)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000739098357 602234615 /nfs/dbraw/zinc/23/46/15/602234615.db2.gz KENXZRXHXFFCHF-FZMZJTMJSA-N -1 0 333.457 3.592 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)ccc21 ZINC000740471728 602240574 /nfs/dbraw/zinc/24/05/74/602240574.db2.gz IQRAQWHCXMQPNH-HZPDHXFCSA-N -1 0 340.354 3.608 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)Cc3ccc(Cl)cc3)ccc21 ZINC000740391354 602243237 /nfs/dbraw/zinc/24/32/37/602243237.db2.gz XGWVGDYKPGVQOS-UHFFFAOYSA-N -1 0 330.771 3.562 20 0 EHADRM Cc1[nH]c2ccccc2c1C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000740031788 602252367 /nfs/dbraw/zinc/25/23/67/602252367.db2.gz AMNHSLJGMVLGCP-UHFFFAOYSA-N -1 0 335.363 3.769 20 0 EHADRM Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)[C@@H](C)NC(=O)[O-] ZINC000740089050 602253697 /nfs/dbraw/zinc/25/36/97/602253697.db2.gz LMMFOAZHJJVTAL-KGLIPLIRSA-N -1 0 342.395 3.730 20 0 EHADRM CC(C)c1ccc(CN(C)C(=O)c2ccc(CNC(=O)[O-])cc2)cc1 ZINC000738883025 602258592 /nfs/dbraw/zinc/25/85/92/602258592.db2.gz NHPXUORMCZGIOM-UHFFFAOYSA-N -1 0 340.423 3.850 20 0 EHADRM C[C@@H](OC1CCCCCC1)C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000827874240 602264943 /nfs/dbraw/zinc/26/49/43/602264943.db2.gz XJOOKMNSTFPGNH-MLGOLLRUSA-N -1 0 338.375 3.623 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000829009339 602271499 /nfs/dbraw/zinc/27/14/99/602271499.db2.gz BVBRXTIQBVENSB-HZPDHXFCSA-N -1 0 338.375 3.623 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1F ZINC000833320232 602301303 /nfs/dbraw/zinc/30/13/03/602301303.db2.gz NWVXWZNICGEBSO-UHFFFAOYSA-N -1 0 348.443 3.779 20 0 EHADRM C[C@H](NC(=O)[O-])C(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1 ZINC000738993951 602302744 /nfs/dbraw/zinc/30/27/44/602302744.db2.gz HTEVRAXAGBCNKV-VIFPVBQESA-N -1 0 336.750 3.741 20 0 EHADRM C[C@@H]1CC[C@H](CC(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC000828220738 602312243 /nfs/dbraw/zinc/31/22/43/602312243.db2.gz CSMGUSKODGPNND-ZJUUUORDSA-N -1 0 327.327 3.751 20 0 EHADRM Cc1cccc2[nH]cc(CCNC(=O)c3cccc(NC(=O)[O-])c3)c21 ZINC000738746686 602313884 /nfs/dbraw/zinc/31/38/84/602313884.db2.gz JTACIQBTKPQAQY-UHFFFAOYSA-N -1 0 337.379 3.539 20 0 EHADRM CN(C(=O)CCc1ccc(C(C)(C)C)cc1)c1ncc(C(=O)[O-])s1 ZINC000830478868 602333965 /nfs/dbraw/zinc/33/39/65/602333965.db2.gz XIZWFIJEPRVLBD-UHFFFAOYSA-N -1 0 346.452 3.734 20 0 EHADRM CN(CCCC(=O)N(Cc1ccsc1)c1ccccc1)C(=O)[O-] ZINC000737417140 602338907 /nfs/dbraw/zinc/33/89/07/602338907.db2.gz FMJGXTHIWHHLGZ-UHFFFAOYSA-N -1 0 332.425 3.671 20 0 EHADRM O=C([O-])c1ccoc1CN1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000833336472 602342620 /nfs/dbraw/zinc/34/26/20/602342620.db2.gz RPDBVJVAKXJNDH-CQSZACIVSA-N -1 0 326.352 3.846 20 0 EHADRM CC(C)N(CCC(=O)N(C)[C@@H](C)c1nc2ccccc2s1)C(=O)[O-] ZINC000739066004 602347073 /nfs/dbraw/zinc/34/70/73/602347073.db2.gz VUGLKFDHLBVFCP-LBPRGKRZSA-N -1 0 349.456 3.594 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)CC3CCSCC3)ccc2n1C ZINC000832851496 602347978 /nfs/dbraw/zinc/34/79/78/602347978.db2.gz RNWLXTWYQFWQKG-UHFFFAOYSA-N -1 0 347.436 3.624 20 0 EHADRM Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)cc1C(=O)[O-] ZINC000237716738 602350735 /nfs/dbraw/zinc/35/07/35/602350735.db2.gz SZIWUDUIQULYPO-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000767207601 602353752 /nfs/dbraw/zinc/35/37/52/602353752.db2.gz YOEDAIAJPAPQKA-LLVKDONJSA-N -1 0 333.334 3.870 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000767204790 602358485 /nfs/dbraw/zinc/35/84/85/602358485.db2.gz BWWYCNNPRPMXRY-NSHDSACASA-N -1 0 333.334 3.870 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000827396025 602373286 /nfs/dbraw/zinc/37/32/86/602373286.db2.gz BRBPXAMSNLLRJX-ZDUSSCGKSA-N -1 0 343.427 3.601 20 0 EHADRM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C1CCC(NC(=O)[O-])CC1 ZINC000739053634 602374168 /nfs/dbraw/zinc/37/41/68/602374168.db2.gz MVZBFPWRWAVGTD-OPFPJEHXSA-N -1 0 344.411 3.779 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000828182933 602374400 /nfs/dbraw/zinc/37/44/00/602374400.db2.gz AKLHGCUUGRGRNW-TZMCWYRMSA-N -1 0 342.370 3.934 20 0 EHADRM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000828890815 602378606 /nfs/dbraw/zinc/37/86/06/602378606.db2.gz MZVBPTUQLKPRJO-ZDUSSCGKSA-N -1 0 349.818 3.520 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccc(F)cc1F ZINC000827671245 602381214 /nfs/dbraw/zinc/38/12/14/602381214.db2.gz FHGKWINLYPOXRY-QMMMGPOBSA-N -1 0 338.285 3.685 20 0 EHADRM CC[C@H](CNC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000828884062 602384239 /nfs/dbraw/zinc/38/42/39/602384239.db2.gz OCYIDRBIFOIXPD-GFCCVEGCSA-N -1 0 330.359 3.839 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CC1CCSCC1)c1cccc(Cl)c1 ZINC000776675890 602390595 /nfs/dbraw/zinc/39/05/95/602390595.db2.gz XXWPTDIKROMKHF-CQSZACIVSA-N -1 0 341.860 3.505 20 0 EHADRM Cc1ccc(C)c([C@@H]2CCCN2C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000180129395 602391986 /nfs/dbraw/zinc/39/19/86/602391986.db2.gz UGTPVOQDGBCJAK-RYRKJORJSA-N -1 0 329.440 3.858 20 0 EHADRM CCC[C@H](NC(=O)[O-])c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000739324068 602405937 /nfs/dbraw/zinc/40/59/37/602405937.db2.gz CDDADOAYWTXZBK-JTQLQIEISA-N -1 0 329.278 3.864 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(Cc2ccccc2OC(C)C)n1 ZINC000738824859 602407777 /nfs/dbraw/zinc/40/77/77/602407777.db2.gz UBCMHRHFRLRBGU-CQSZACIVSA-N -1 0 347.415 3.802 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(Cc2c(F)cccc2Cl)n1 ZINC000738825532 602409256 /nfs/dbraw/zinc/40/92/56/602409256.db2.gz XNXNYKCRKKUHLQ-GFCCVEGCSA-N -1 0 341.770 3.808 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000740133389 602409331 /nfs/dbraw/zinc/40/93/31/602409331.db2.gz QUIDZLCQBUDINQ-UHFFFAOYSA-N -1 0 339.823 3.502 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(-c2cc3cc(F)ccc3[nH]2)n1 ZINC000738816516 602410409 /nfs/dbraw/zinc/41/04/09/602410409.db2.gz LLHHSXZFQLKWAG-GFCCVEGCSA-N -1 0 332.335 3.712 20 0 EHADRM Cc1ccc2c(Cc3nc(C4(NC(=O)[O-])CCCC4)no3)coc2c1 ZINC000740154726 602415015 /nfs/dbraw/zinc/41/50/15/602415015.db2.gz RCLLBVANRCJZCW-UHFFFAOYSA-N -1 0 341.367 3.752 20 0 EHADRM O=C([O-])NC1(c2noc(CSc3ccc(Cl)cc3)n2)CCC1 ZINC000740548485 602417475 /nfs/dbraw/zinc/41/74/75/602417475.db2.gz FLUMJXOLDYPHCI-UHFFFAOYSA-N -1 0 339.804 3.662 20 0 EHADRM CN(Cc1cccc(Cl)c1)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739706725 602451558 /nfs/dbraw/zinc/45/15/58/602451558.db2.gz DQCUUQDYMWRAEA-UHFFFAOYSA-N -1 0 347.802 3.772 20 0 EHADRM CN(Cc1cccc(F)c1)C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000739706860 602454165 /nfs/dbraw/zinc/45/41/65/602454165.db2.gz DYAMXFCEMQTDRV-QGZVFWFLSA-N -1 0 344.386 3.573 20 0 EHADRM CCN(Cc1ccccc1NC(=O)[C@@H]1CCc2ccccc21)C(=O)[O-] ZINC000739443988 602460589 /nfs/dbraw/zinc/46/05/89/602460589.db2.gz MFEAVPUPAGXCPY-QGZVFWFLSA-N -1 0 338.407 3.855 20 0 EHADRM CN(C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1)c1ccc(F)cc1 ZINC000739575250 602461980 /nfs/dbraw/zinc/46/19/80/602461980.db2.gz UPEAXSQDWNPITP-MRXNPFEDSA-N -1 0 330.359 3.578 20 0 EHADRM CC(C)CCc1nc(CN2CCC([C@@H](C)NC(=O)[O-])CC2)cs1 ZINC000738821827 602463798 /nfs/dbraw/zinc/46/37/98/602463798.db2.gz SQZLIALEUXVUOW-CYBMUJFWSA-N -1 0 339.505 3.600 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)N1CCC[C@H]1C1CCC1)c1ccccc1 ZINC000740537419 602474556 /nfs/dbraw/zinc/47/45/56/602474556.db2.gz KOPKDACDJWILQI-SJORKVTESA-N -1 0 330.428 3.567 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CCCc3cccc(F)c32)ccc1F ZINC000740695604 602483654 /nfs/dbraw/zinc/48/36/54/602483654.db2.gz JHMQLUHAUFODCE-UHFFFAOYSA-N -1 0 332.306 3.648 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N(CCc2ccccc2)C2CC2)ccc1F ZINC000740692935 602484268 /nfs/dbraw/zinc/48/42/68/602484268.db2.gz LAHHVEMVHPZDBT-UHFFFAOYSA-N -1 0 342.370 3.763 20 0 EHADRM CN(CCCc1ccccc1)C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739685881 602484602 /nfs/dbraw/zinc/48/46/02/602484602.db2.gz ZMOIQJZLVIMSQP-UHFFFAOYSA-N -1 0 330.359 3.620 20 0 EHADRM O=C([O-])NC[C@@H](NC(=O)c1cccc(C(F)F)c1)C1CCCCC1 ZINC000740610479 602484678 /nfs/dbraw/zinc/48/46/78/602484678.db2.gz GDFSYTNDSNGHSL-CQSZACIVSA-N -1 0 340.370 3.571 20 0 EHADRM Cc1ccccc1C[C@@H](C)NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000740186051 602485858 /nfs/dbraw/zinc/48/58/58/602485858.db2.gz ZITICJXMNGFXDD-GFCCVEGCSA-N -1 0 330.359 3.585 20 0 EHADRM COc1c(Cl)cccc1NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739849111 602486468 /nfs/dbraw/zinc/48/64/68/602486468.db2.gz PUJDMSGHHHASQP-UHFFFAOYSA-N -1 0 338.722 3.830 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)c2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000739795542 602487669 /nfs/dbraw/zinc/48/76/69/602487669.db2.gz GQGNOCCBTOOLIV-JTQLQIEISA-N -1 0 332.331 3.875 20 0 EHADRM CCCCS[C@H](C)C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2 ZINC000739340802 602487864 /nfs/dbraw/zinc/48/78/64/602487864.db2.gz JGZNXZSEKXMGBA-GFCCVEGCSA-N -1 0 336.457 3.583 20 0 EHADRM COc1ccc(SCC(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000739932963 602499945 /nfs/dbraw/zinc/49/99/45/602499945.db2.gz PGPCLLVQARJNRK-UHFFFAOYSA-N -1 0 332.381 3.516 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)COc2ccc(F)cc2Cl)cc1 ZINC000740709534 602500288 /nfs/dbraw/zinc/50/02/88/602500288.db2.gz JWSCNDOMYCKXBO-UHFFFAOYSA-N -1 0 338.722 3.587 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)Cc2ccc(OC(F)F)cc2)cc1 ZINC000740710126 602501156 /nfs/dbraw/zinc/50/11/56/602501156.db2.gz ZFADBZNIHNTSBL-UHFFFAOYSA-N -1 0 336.294 3.559 20 0 EHADRM CCc1nc2cc(NC(=O)c3ccc(F)c(NC(=O)[O-])c3)ccc2o1 ZINC000739558626 602502835 /nfs/dbraw/zinc/50/28/35/602502835.db2.gz AVWOJAFQGNFQAC-UHFFFAOYSA-N -1 0 343.314 3.872 20 0 EHADRM CC(C)(C)c1nc(CC(=O)Nc2ccc(NC(=O)[O-])cc2)cs1 ZINC000736302691 602504679 /nfs/dbraw/zinc/50/46/79/602504679.db2.gz CAYWMEUHGKMXER-UHFFFAOYSA-N -1 0 333.413 3.712 20 0 EHADRM CC[C@@H]1c2ccsc2CCN1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736950164 602562928 /nfs/dbraw/zinc/56/29/28/602562928.db2.gz NXUUTNZPRCBEAP-CQSZACIVSA-N -1 0 330.409 3.988 20 0 EHADRM COc1ccc([C@@H](C)C(=O)Nc2ccc(NC(=O)[O-])c(OC)c2)cc1 ZINC000739897349 602567735 /nfs/dbraw/zinc/56/77/35/602567735.db2.gz VKFBTMHWBOPHFO-LLVKDONJSA-N -1 0 344.367 3.536 20 0 EHADRM CCC1(C)CCN(C(=O)Nc2ccc(OC)c(NC(=O)[O-])c2)CC1 ZINC000739267744 602585780 /nfs/dbraw/zinc/58/57/80/602585780.db2.gz ZHXADZMVLVRDMW-UHFFFAOYSA-N -1 0 335.404 3.829 20 0 EHADRM CC(C)CCc1ccc(NC(=O)N2CCC(NC(=O)[O-])CC2)cc1 ZINC000738819917 602593379 /nfs/dbraw/zinc/59/33/79/602593379.db2.gz CKPVQAAQWTXARV-UHFFFAOYSA-N -1 0 333.432 3.539 20 0 EHADRM CC(C)[C@H](C)NC(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000738773858 602598274 /nfs/dbraw/zinc/59/82/74/602598274.db2.gz LEBNRLWSTOMXIE-QMMMGPOBSA-N -1 0 333.310 3.961 20 0 EHADRM Cc1ccccc1C1(CNC(=O)Nc2ccc(NC(=O)[O-])cc2)CC1 ZINC000738322231 602599329 /nfs/dbraw/zinc/59/93/29/602599329.db2.gz RNPUIADMSUKQHK-UHFFFAOYSA-N -1 0 339.395 3.938 20 0 EHADRM COc1ccc(Cl)cc1CNC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739908728 602600315 /nfs/dbraw/zinc/60/03/15/602600315.db2.gz ZPDUJIHOOHFEJU-UHFFFAOYSA-N -1 0 349.774 3.760 20 0 EHADRM Cc1ccccc1C[C@H](C)NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000740182706 602600345 /nfs/dbraw/zinc/60/03/45/602600345.db2.gz ILCCMEKMMZNVOP-ZDUSSCGKSA-N -1 0 327.384 3.838 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NCCCOC2CCCCC2)cc1 ZINC000740710954 602602761 /nfs/dbraw/zinc/60/27/61/602602761.db2.gz NXVXYURCAISJGS-UHFFFAOYSA-N -1 0 335.404 3.637 20 0 EHADRM O=C([O-])NC[C@@H](NC(=O)Nc1cccc2[nH]ccc21)C1CCCCC1 ZINC000740608904 602604280 /nfs/dbraw/zinc/60/42/80/602604280.db2.gz SWZNXUVFRDZDKU-MRXNPFEDSA-N -1 0 344.415 3.506 20 0 EHADRM Cc1ncsc1C(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000740242909 602643711 /nfs/dbraw/zinc/64/37/11/602643711.db2.gz QZMJFCDSPOWASM-UHFFFAOYSA-N -1 0 345.302 3.813 20 0 EHADRM O=C([O-])NCc1ccc2c(c1)CCCN2C(=O)c1ccccc1Cl ZINC000740675793 602645114 /nfs/dbraw/zinc/64/51/14/602645114.db2.gz NRYPRGZMYGJLEK-UHFFFAOYSA-N -1 0 344.798 3.701 20 0 EHADRM CCOc1ccc(CNC(=O)Nc2ccc(NC(=O)[O-])cc2)cc1F ZINC000737204787 602679390 /nfs/dbraw/zinc/67/93/90/602679390.db2.gz XCIPSNWROXOQSI-UHFFFAOYSA-N -1 0 347.346 3.636 20 0 EHADRM CSCc1cccc(NC(=O)c2ccc(CNC(=O)[O-])cc2)c1 ZINC000740020927 602713820 /nfs/dbraw/zinc/71/38/20/602713820.db2.gz IPPXTSLXANWALW-UHFFFAOYSA-N -1 0 330.409 3.570 20 0 EHADRM CCC[C@H](OC(=O)c1csc(CNC(=O)[O-])n1)c1ccccc1 ZINC000739327439 602728921 /nfs/dbraw/zinc/72/89/21/602728921.db2.gz FBMBVRFZZOGIPO-ZDUSSCGKSA-N -1 0 334.397 3.609 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)Oc1cccc(CNC(=O)[O-])c1 ZINC000740214411 602730518 /nfs/dbraw/zinc/73/05/18/602730518.db2.gz LIROUDMTBAFPKB-UHFFFAOYSA-N -1 0 334.397 3.562 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)CCCCCCNC(=O)[O-] ZINC000739080041 602764935 /nfs/dbraw/zinc/76/49/35/602764935.db2.gz BCLGKPMHZQURQQ-WBVHZDCISA-N -1 0 332.444 3.609 20 0 EHADRM O=C([O-])NC[C@H]1CCC[C@H]1NC(=O)c1sccc1-c1ccccc1 ZINC000740622221 602767727 /nfs/dbraw/zinc/76/77/27/602767727.db2.gz BPZPGUGGJPDSQU-UKRRQHHQSA-N -1 0 344.436 3.581 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)N2CCC[C@@H]2CC2CCCCC2)o1 ZINC000832677305 602770284 /nfs/dbraw/zinc/77/02/84/602770284.db2.gz AIPCXBQVLQSAQQ-CQSZACIVSA-N -1 0 334.416 3.622 20 0 EHADRM CC(C)(C(=O)Nc1cc(NC(=O)[O-])ccc1F)c1ccc(F)cc1 ZINC000738661930 602783000 /nfs/dbraw/zinc/78/30/00/602783000.db2.gz MCRIERBEUCKGAW-UHFFFAOYSA-N -1 0 334.322 3.971 20 0 EHADRM CC[C@@H](C(=O)Nc1cc(NC(=O)[O-])ccc1F)c1c(C)noc1C ZINC000739213715 602783343 /nfs/dbraw/zinc/78/33/43/602783343.db2.gz KHFAMWGIYWABMR-LLVKDONJSA-N -1 0 335.335 3.653 20 0 EHADRM CCN(C)[C@H](C(=O)Nc1cc(NC(=O)[O-])ccc1F)c1ccccc1 ZINC000739384445 602783818 /nfs/dbraw/zinc/78/38/18/602783818.db2.gz GQGIAIHZSAWMCB-INIZCTEOSA-N -1 0 345.374 3.547 20 0 EHADRM CCN(Cc1ccccc1NC(=O)[C@@H](C)c1cccs1)C(=O)[O-] ZINC000739444814 602792013 /nfs/dbraw/zinc/79/20/13/602792013.db2.gz PLSSPLMGGADMLQ-LBPRGKRZSA-N -1 0 332.425 3.990 20 0 EHADRM CCOc1ccc(NC(=O)CCC(C)(C)NC(=O)[O-])cc1Cl ZINC000739505014 602793673 /nfs/dbraw/zinc/79/36/73/602793673.db2.gz FXIRALAHHKDPGJ-UHFFFAOYSA-N -1 0 328.796 3.504 20 0 EHADRM CC(C)(CCC(=O)NC1(c2ccc(F)cc2)CCCC1)NC(=O)[O-] ZINC000738743375 602796721 /nfs/dbraw/zinc/79/67/21/602796721.db2.gz MWXIJIONILNPMI-UHFFFAOYSA-N -1 0 336.407 3.538 20 0 EHADRM O=C([O-])NCc1cccc(OC(=O)CC/C=C/c2ccccc2)c1 ZINC000740679551 602805359 /nfs/dbraw/zinc/80/53/59/602805359.db2.gz KLGNXTZFQLOQDD-RUDMXATFSA-N -1 0 325.364 3.853 20 0 EHADRM C[C@H](C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2)c1ccsc1 ZINC000738633251 602806355 /nfs/dbraw/zinc/80/63/55/602806355.db2.gz XHMSFQFMTMNWSD-NSHDSACASA-N -1 0 330.409 3.526 20 0 EHADRM C[C@@H](CCc1cccn1C)NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000738911067 602810646 /nfs/dbraw/zinc/81/06/46/602810646.db2.gz YEFUTLKJBFPFBT-NSHDSACASA-N -1 0 349.818 3.520 20 0 EHADRM CC[C@H]1CN(C(=O)c2ccc(NC(=O)[O-])cc2)c2ccccc2O1 ZINC000736938395 602813219 /nfs/dbraw/zinc/81/32/19/602813219.db2.gz KOBJDRCNHTVOCV-AWEZNQCLSA-N -1 0 326.352 3.594 20 0 EHADRM C[C@H]1c2ccc(F)cc2CCN1C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000739204250 602816928 /nfs/dbraw/zinc/81/69/28/602816928.db2.gz BOLDVAATRLVZPQ-JTQLQIEISA-N -1 0 346.333 3.814 20 0 EHADRM C[C@H](CCNC(=O)N(CC1CCC1)[C@@H](C)c1ccccc1)NC(=O)[O-] ZINC000738899250 602830266 /nfs/dbraw/zinc/83/02/66/602830266.db2.gz OMLGXEXTRXQOAD-CABCVRRESA-N -1 0 347.459 3.606 20 0 EHADRM CC(=O)Nc1ccc(C)cc1NC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000823598746 602834305 /nfs/dbraw/zinc/83/43/05/602834305.db2.gz YHRXGDYLBOYCRN-UHFFFAOYSA-N -1 0 341.367 3.604 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)c3cccc4cc[nH]c43)ccc21 ZINC000831773187 602860559 /nfs/dbraw/zinc/86/05/59/602860559.db2.gz SSYPRQNCZZYGAV-UHFFFAOYSA-N -1 0 335.363 3.851 20 0 EHADRM C[C@@H](NC(=O)c1ccc(CNC(=O)[O-])o1)c1cc2ccccc2s1 ZINC000825459317 602882025 /nfs/dbraw/zinc/88/20/25/602882025.db2.gz OBLOKJBNMZQGIN-SNVBAGLBSA-N -1 0 344.392 3.753 20 0 EHADRM CC(C)(C)[C@@H]1CCCN(C(=O)CCCCCCNC(=O)[O-])CC1 ZINC000738676432 602911708 /nfs/dbraw/zinc/91/17/08/602911708.db2.gz QIMMTCFFXFDMAB-OAHLLOKOSA-N -1 0 326.481 3.879 20 0 EHADRM CC(C)[C@@H](c1ccccc1)N(C)C(=O)c1ccc(CNC(=O)[O-])o1 ZINC000824151434 602921660 /nfs/dbraw/zinc/92/16/60/602921660.db2.gz YIWWYICREAMNGE-INIZCTEOSA-N -1 0 330.384 3.517 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)N[C@H]1CCCCN(C(=O)[O-])C1 ZINC000740157445 602940630 /nfs/dbraw/zinc/94/06/30/602940630.db2.gz HHTFWBYRJFVASM-AWEZNQCLSA-N -1 0 333.432 3.772 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)N3CCC[C@H]3c3ccco3)ccc21 ZINC000740529117 602943194 /nfs/dbraw/zinc/94/31/94/602943194.db2.gz HRVGMUXWIZNSGW-HNNXBMFYSA-N -1 0 341.367 3.689 20 0 EHADRM CC(C)N(Cc1cccc(Cl)c1)C(=O)CC(C)(C)NC(=O)[O-] ZINC000738851928 602951240 /nfs/dbraw/zinc/95/12/40/602951240.db2.gz AGBMXRSIFJSQHI-UHFFFAOYSA-N -1 0 326.824 3.513 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)C=Cc2ccc3ccccc3n2)cc1 ZINC000738667296 602959701 /nfs/dbraw/zinc/95/97/01/602959701.db2.gz NNMSHVGHEQHWKP-FMIVXFBMSA-N -1 0 334.331 3.944 20 0 EHADRM CCCCOc1ccc(NC(=O)[C@@H]2CCC[C@@H]2NC(=O)[O-])c(C)c1 ZINC000739339706 602967346 /nfs/dbraw/zinc/96/73/46/602967346.db2.gz QQWHKOAHNSJEKU-ZBFHGGJFSA-N -1 0 334.416 3.549 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)c2ccc(Br)s2)cc1 ZINC000738670944 602968568 /nfs/dbraw/zinc/96/85/68/602968568.db2.gz XKBBXBCDRKFBJM-UHFFFAOYSA-N -1 0 342.170 3.820 20 0 EHADRM O=C(C[C@H]1CCCN1C(=O)[O-])Nc1ccc(COC2CCCC2)cc1 ZINC000831340699 602979621 /nfs/dbraw/zinc/97/96/21/602979621.db2.gz ZTGQQPISGARROZ-MRXNPFEDSA-N -1 0 346.427 3.617 20 0 EHADRM CC(C)C1CCN(C(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)CC1 ZINC000738799744 602996130 /nfs/dbraw/zinc/99/61/30/602996130.db2.gz AMDNYFBNVLFAQE-QGZVFWFLSA-N -1 0 332.444 3.670 20 0 EHADRM Cc1ccc(C(=O)NC[C@H](C)Cc2cccs2)cc1NC(=O)[O-] ZINC000830211608 602996498 /nfs/dbraw/zinc/99/64/98/602996498.db2.gz VSAIAZFIHXNEDD-LLVKDONJSA-N -1 0 332.425 3.755 20 0 EHADRM Cc1nc(C(C)(C)C)sc1-c1nc([C@H](C)CN(C)C(=O)[O-])no1 ZINC000740215360 603007419 /nfs/dbraw/zinc/00/74/19/603007419.db2.gz QBYLNPMOCANDET-MRVPVSSYSA-N -1 0 338.433 3.512 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)C=Cc2ccnc3ccccc23)cc1 ZINC000738665780 603008058 /nfs/dbraw/zinc/00/80/58/603008058.db2.gz PVLRFAZAEBBBMF-YHYXMXQVSA-N -1 0 333.347 3.977 20 0 EHADRM Cc1ccc(SCc2nc([C@@H](C)CN(C)C(=O)[O-])no2)c(C)c1 ZINC000740154884 603011752 /nfs/dbraw/zinc/01/17/52/603011752.db2.gz YDFIKIJKFPKAIN-LBPRGKRZSA-N -1 0 335.429 3.692 20 0 EHADRM O=C([O-])N[C@H](CNC(=O)c1cc2ccccc2s1)c1ccccc1 ZINC000740532097 603016509 /nfs/dbraw/zinc/01/65/09/603016509.db2.gz BACMNADFQXQYQI-CQSZACIVSA-N -1 0 340.404 3.640 20 0 EHADRM C[C@H](NC(=O)C1CCN(C(=O)[O-])CC1)c1cccc(Cl)c1Cl ZINC000737677358 603017565 /nfs/dbraw/zinc/01/75/65/603017565.db2.gz VKMPFJHTOYGAKJ-VIFPVBQESA-N -1 0 345.226 3.561 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc(CSc2ccccc2Cl)n1 ZINC000738915417 603020460 /nfs/dbraw/zinc/02/04/60/603020460.db2.gz XIRZUWQCLWSXCC-SECBINFHSA-N -1 0 341.820 3.729 20 0 EHADRM CC[C@H](CC(=O)NC[C@@H](NC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000739247886 603020858 /nfs/dbraw/zinc/02/08/58/603020858.db2.gz ACIOMIHIKGHMGB-CRAIPNDOSA-N -1 0 340.423 3.695 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc(Cc2ccc3ccccc3c2)n1 ZINC000738913048 603023845 /nfs/dbraw/zinc/02/38/45/603023845.db2.gz LMQKJUKFFJIQQU-GFCCVEGCSA-N -1 0 325.368 3.527 20 0 EHADRM O=C([O-])N1CCN(C(=O)c2sccc2C2CC2)c2ccccc2C1 ZINC000740525701 603025407 /nfs/dbraw/zinc/02/54/07/603025407.db2.gz DMLHGUYJTBVESQ-UHFFFAOYSA-N -1 0 342.420 3.766 20 0 EHADRM CCN(CCC(F)(F)F)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739416050 603032318 /nfs/dbraw/zinc/03/23/18/603032318.db2.gz WOXHPYBDRVITQJ-UHFFFAOYSA-N -1 0 337.273 3.722 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)NCCCc2cccc(F)c2)c1 ZINC000740705289 603033004 /nfs/dbraw/zinc/03/30/04/603033004.db2.gz QZWOGQAMBVVXRP-UHFFFAOYSA-N -1 0 349.337 3.809 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)NCc2ccccc2Cl)c1 ZINC000740705971 603035300 /nfs/dbraw/zinc/03/53/00/603035300.db2.gz UVFBQTMRROWYOU-UHFFFAOYSA-N -1 0 337.738 3.891 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@@H]1C(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000740576577 603036218 /nfs/dbraw/zinc/03/62/18/603036218.db2.gz YBKOWHUBTOOCCK-IRXDYDNUSA-N -1 0 345.443 3.806 20 0 EHADRM CC(C)N(CCC(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1)C(=O)[O-] ZINC000739083768 603037707 /nfs/dbraw/zinc/03/77/07/603037707.db2.gz PMIQJDANJMXKBA-CJNGLKHVSA-N -1 0 336.407 3.514 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CNC(=O)Nc2cc(NC(=O)[O-])ccc2F)o1 ZINC000739089331 603039247 /nfs/dbraw/zinc/03/92/47/603039247.db2.gz JWVJGXAWXVTGJY-BXKDBHETSA-N -1 0 347.346 3.954 20 0 EHADRM C[C@H]1C[C@@H]1c1ccc(CNC(=O)Nc2cc(NC(=O)[O-])ccc2F)o1 ZINC000739089333 603039250 /nfs/dbraw/zinc/03/92/50/603039250.db2.gz JWVJGXAWXVTGJY-CABZTGNLSA-N -1 0 347.346 3.954 20 0 EHADRM CCOc1ccc(CNC(=O)Nc2cc(NC(=O)[O-])ccc2F)cc1 ZINC000739503613 603042533 /nfs/dbraw/zinc/04/25/33/603042533.db2.gz YHJDSJBJIXPGBS-UHFFFAOYSA-N -1 0 347.346 3.636 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)c2ccccc2OC(F)F)cc1 ZINC000827914045 603044117 /nfs/dbraw/zinc/04/41/17/603044117.db2.gz DRBLXKCEXRQARI-UHFFFAOYSA-N -1 0 337.278 3.621 20 0 EHADRM O=C([O-])NCCSc1nn(-c2ccc(Cl)cc2)c(=S)s1 ZINC000740667476 603047870 /nfs/dbraw/zinc/04/78/70/603047870.db2.gz JYEMBHKDXRFXCR-UHFFFAOYSA-N -1 0 347.874 3.676 20 0 EHADRM CCCc1nc(C)c(C(=O)Oc2ccc(N(C)C(=O)[O-])cc2)s1 ZINC000826955042 603051156 /nfs/dbraw/zinc/05/11/56/603051156.db2.gz YAAPGEILRNOCPP-UHFFFAOYSA-N -1 0 334.397 3.737 20 0 EHADRM CC(C)[C@H](CC(=O)NC1CCC(NC(=O)[O-])CC1)c1ccccc1 ZINC000738776779 603071962 /nfs/dbraw/zinc/07/19/62/603071962.db2.gz XQAYAPMHKLRTSU-JCYILVPMSA-N -1 0 332.444 3.511 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000739234887 603079635 /nfs/dbraw/zinc/07/96/35/603079635.db2.gz LXYVYUMUVIXTLR-DYVFJYSZSA-N -1 0 348.443 3.767 20 0 EHADRM O=C([O-])NC1CCC(Nc2nc(C(F)F)nc3ccccc32)CC1 ZINC000740559696 603083233 /nfs/dbraw/zinc/08/32/33/603083233.db2.gz HXDDGQBWKKDPHX-UHFFFAOYSA-N -1 0 336.342 3.558 20 0 EHADRM Cc1ccc([C@@H](C)N(C)C(=O)NC2CCC(NC(=O)[O-])CC2)c(C)c1 ZINC000740112272 603103506 /nfs/dbraw/zinc/10/35/06/603103506.db2.gz BRGDCTRTXGAMHM-QQFBHYJXSA-N -1 0 347.459 3.585 20 0 EHADRM CC(C)CCc1noc(CNc2ccc([C@H](C)NC(=O)[O-])cc2)n1 ZINC000738818771 603104517 /nfs/dbraw/zinc/10/45/17/603104517.db2.gz BYTTWFHMHYQYHN-LBPRGKRZSA-N -1 0 332.404 3.599 20 0 EHADRM Cc1cccc([C@@H](C)CNC(=O)Nc2cccc(CNC(=O)[O-])c2)c1 ZINC000740160822 603118966 /nfs/dbraw/zinc/11/89/66/603118966.db2.gz YASLLBWXORPUMN-AWEZNQCLSA-N -1 0 341.411 3.688 20 0 EHADRM CC[C@@H]1CCCCCN1C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000739266776 603142004 /nfs/dbraw/zinc/14/20/04/603142004.db2.gz HOWCFGLTTCZKMA-OAHLLOKOSA-N -1 0 333.432 3.983 20 0 EHADRM CCN(C(=O)[C@H](C)Oc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000826970597 603157909 /nfs/dbraw/zinc/15/79/09/603157909.db2.gz TWOJVRPRKQBIET-ZDUSSCGKSA-N -1 0 328.368 3.597 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000740714696 603172672 /nfs/dbraw/zinc/17/26/72/603172672.db2.gz XQCYWMUSAQQBCX-CMPLNLGQSA-N -1 0 332.306 3.797 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2cc3ccccc3n2C)cc1 ZINC000825442564 603173299 /nfs/dbraw/zinc/17/32/99/603173299.db2.gz KFIIYFDZFZSMMQ-LBPRGKRZSA-N -1 0 337.379 3.759 20 0 EHADRM Cc1cccc(NC(=S)N[C@](C)(CNC(=O)[O-])CC(C)C)c1C ZINC000740170543 603174255 /nfs/dbraw/zinc/17/42/55/603174255.db2.gz LOBSTNSXZGJKEI-KRWDZBQOSA-N -1 0 337.489 3.662 20 0 EHADRM CN(C(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1)c1cccc2ccccc21 ZINC000739572240 603180060 /nfs/dbraw/zinc/18/00/60/603180060.db2.gz DDINCWUYRNYLHY-HUUCEWRRSA-N -1 0 326.396 3.629 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)/C=C/c2ccccc2F)cc1 ZINC000825416129 603180518 /nfs/dbraw/zinc/18/05/18/603180518.db2.gz JUKZZPRCKPUFLS-OBIHZWKSSA-N -1 0 328.343 3.806 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)Cc2cc3ccccc3o2)cc1 ZINC000825423530 603181279 /nfs/dbraw/zinc/18/12/79/603181279.db2.gz QSCKCHIUADVMEM-GFCCVEGCSA-N -1 0 338.363 3.943 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)C2(c3cccc(F)c3)CC2)cc1 ZINC000825416585 603188469 /nfs/dbraw/zinc/18/84/69/603188469.db2.gz LSQWOGADQWPMKA-GFCCVEGCSA-N -1 0 342.370 3.825 20 0 EHADRM Cc1ccccc1C1(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)CC1 ZINC000830559171 603192682 /nfs/dbraw/zinc/19/26/82/603192682.db2.gz HYYLJPSOHNKCJE-CQSZACIVSA-N -1 0 338.407 3.994 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)Nc2ccc(-c3ccccc3)cn2)C1 ZINC000740568462 603195452 /nfs/dbraw/zinc/19/54/52/603195452.db2.gz FSVWWNLPQYVBIP-GDBMZVCRSA-N -1 0 339.395 3.514 20 0 EHADRM CN(CCOc1ccccc1)C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739699599 603204284 /nfs/dbraw/zinc/20/42/84/603204284.db2.gz DWBXZZVBCUAAJI-UHFFFAOYSA-N -1 0 348.786 3.581 20 0 EHADRM Cc1cc(Nc2ccc([C@@H](C)NC(=O)[O-])cc2)nc(-c2cccnc2)n1 ZINC000830121608 603206730 /nfs/dbraw/zinc/20/67/30/603206730.db2.gz FXNTUMRAUUXZIX-CYBMUJFWSA-N -1 0 349.394 3.919 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N(Cc2ccccc2)CC(F)F)cc1 ZINC000832829553 603213925 /nfs/dbraw/zinc/21/39/25/603213925.db2.gz UWHVALSSVCYVTA-UHFFFAOYSA-N -1 0 334.322 3.684 20 0 EHADRM Cc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1NC(=O)[O-] ZINC000830219786 603220768 /nfs/dbraw/zinc/22/07/68/603220768.db2.gz IQNUVRULLMMGCC-UHFFFAOYSA-N -1 0 332.787 3.711 20 0 EHADRM Cc1ccccc1CN(C)C(=O)[C@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000830573500 603227770 /nfs/dbraw/zinc/22/77/70/603227770.db2.gz MXASJFMKOTUYJV-CRAIPNDOSA-N -1 0 340.423 3.598 20 0 EHADRM COc1ccccc1[C@@H](CNc1nc2cc(C)ccc2o1)NC(=O)[O-] ZINC000739962114 603231944 /nfs/dbraw/zinc/23/19/44/603231944.db2.gz FHKKTXOGZLTQII-CQSZACIVSA-N -1 0 341.367 3.566 20 0 EHADRM Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000830554688 603235818 /nfs/dbraw/zinc/23/58/18/603235818.db2.gz ONGIHOXLTRZUOG-RLFYNMQTSA-N -1 0 340.423 3.817 20 0 EHADRM Cc1ccc(C(=O)NCCSc2ccccc2)cc1NC(=O)[O-] ZINC000830220679 603244863 /nfs/dbraw/zinc/24/48/63/603244863.db2.gz ZPEFIPVFTCTGQO-UHFFFAOYSA-N -1 0 330.409 3.607 20 0 EHADRM Cc1ccc(NC(=O)NC[C@H](NC(=O)[O-])c2ccccc2)c(Cl)c1 ZINC000830385191 603248454 /nfs/dbraw/zinc/24/84/54/603248454.db2.gz BBIPPEUWNGVTJT-HNNXBMFYSA-N -1 0 347.802 3.779 20 0 EHADRM Cc1ccc(NC(=O)NC[C@@H](NC(=O)[O-])c2ccccc2)c(Cl)c1 ZINC000830385192 603248575 /nfs/dbraw/zinc/24/85/75/603248575.db2.gz BBIPPEUWNGVTJT-OAHLLOKOSA-N -1 0 347.802 3.779 20 0 EHADRM CC(=O)c1cccc(NC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)c1 ZINC000823640328 603248900 /nfs/dbraw/zinc/24/89/00/603248900.db2.gz BDIVAMUKLNFPMY-NSHDSACASA-N -1 0 341.367 3.862 20 0 EHADRM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc(Cl)c1Cl ZINC000832484237 603250681 /nfs/dbraw/zinc/25/06/81/603250681.db2.gz WCIAOEYEEGNRSV-WPRPVWTQSA-N -1 0 346.214 3.551 20 0 EHADRM Cc1cc(F)ccc1NC(=O)[C@H](NC(=O)[O-])c1cccc(Cl)c1 ZINC000740083657 603264147 /nfs/dbraw/zinc/26/41/47/603264147.db2.gz YDUGEPOIDAANSY-CQSZACIVSA-N -1 0 336.750 3.735 20 0 EHADRM O=C([O-])N(CC(=O)Nc1ccccc1Cc1ccccc1)CC1CC1 ZINC000831468288 603265476 /nfs/dbraw/zinc/26/54/76/603265476.db2.gz FKMDGUQNIGHFHG-UHFFFAOYSA-N -1 0 338.407 3.606 20 0 EHADRM COc1ccc(NC(=O)N2C[C@@H](C)CCC[C@@H]2C)cc1NC(=O)[O-] ZINC000829461119 603271035 /nfs/dbraw/zinc/27/10/35/603271035.db2.gz UEXXKEGNHFHSKJ-RYUDHWBXSA-N -1 0 335.404 3.828 20 0 EHADRM C[C@@H](C(=O)Nc1cnc2ccccc2c1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823725151 603271359 /nfs/dbraw/zinc/27/13/59/603271359.db2.gz XCSUKEWGIHHQPU-FZKQIMNGSA-N -1 0 349.390 3.818 20 0 EHADRM Cc1ccc(C(=O)N2CCC[C@H]2Cc2ccccc2)cc1NC(=O)[O-] ZINC000830191452 603272268 /nfs/dbraw/zinc/27/22/68/603272268.db2.gz ARYHCOWTLMGHLC-KRWDZBQOSA-N -1 0 338.407 3.932 20 0 EHADRM Cc1ccc([C@H]2CCCCN2C(=O)CCCCCCNC(=O)[O-])o1 ZINC000740119943 603278968 /nfs/dbraw/zinc/27/89/68/603278968.db2.gz YPDKSZVNAGQIOM-OAHLLOKOSA-N -1 0 336.432 3.860 20 0 EHADRM COc1cc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)ccc1NC(=O)[O-] ZINC000829167919 603282533 /nfs/dbraw/zinc/28/25/33/603282533.db2.gz SZRWUOQQZLZUJS-FRRDWIJNSA-N -1 0 347.415 3.875 20 0 EHADRM CC(=O)Nc1ccc(NC(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1C ZINC000823610768 603288548 /nfs/dbraw/zinc/28/85/48/603288548.db2.gz FVCQCNKNPVQUHX-UHFFFAOYSA-N -1 0 341.367 3.604 20 0 EHADRM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736763802 603294066 /nfs/dbraw/zinc/29/40/66/603294066.db2.gz VOSULZFKNQFZSY-WFASDCNBSA-N -1 0 342.370 3.934 20 0 EHADRM Cc1ccc(C(=O)N(Cc2cccs2)C2CC2)cc1NC(=O)[O-] ZINC000830187399 603296081 /nfs/dbraw/zinc/29/60/81/603296081.db2.gz QOZHBHJXKUZAOS-UHFFFAOYSA-N -1 0 330.409 3.951 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2cc(Cl)ccn2)c(Cl)c1 ZINC000740700229 603298702 /nfs/dbraw/zinc/29/87/02/603298702.db2.gz CEIUOPVZAFHACI-UHFFFAOYSA-N -1 0 326.139 3.731 20 0 EHADRM C[C@H]1c2ccccc2CCN1C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739210073 603325097 /nfs/dbraw/zinc/32/50/97/603325097.db2.gz XFLDGJKQHHCADC-ZDUSSCGKSA-N -1 0 339.395 3.605 20 0 EHADRM C[C@@H](c1cccs1)N(C)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739060447 603325210 /nfs/dbraw/zinc/32/52/10/603325210.db2.gz NTTHRIHVFMHQCR-NSHDSACASA-N -1 0 333.413 3.741 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)N(Cc2ccccc2)C2CC2)c1 ZINC000740677113 603327464 /nfs/dbraw/zinc/32/74/64/603327464.db2.gz XMEYVNAEEMPFLA-UHFFFAOYSA-N -1 0 339.395 3.651 20 0 EHADRM CC(C)[C@@H]1CCCN(C(=O)Nc2cccc(CNC(=O)[O-])c2)CC1 ZINC000738802607 603327761 /nfs/dbraw/zinc/32/77/61/603327761.db2.gz XCMRHCNIKHSVCD-OAHLLOKOSA-N -1 0 333.432 3.744 20 0 EHADRM CCSCC[C@@H](C)NC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000827503668 603328117 /nfs/dbraw/zinc/32/81/17/603328117.db2.gz KEEBIUGWCZURCT-SECBINFHSA-N -1 0 329.397 3.569 20 0 EHADRM CC[C@@H](NC(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccccc1 ZINC000739262422 603328169 /nfs/dbraw/zinc/32/81/69/603328169.db2.gz AYJFBLACIAPPPN-MRXNPFEDSA-N -1 0 327.384 3.727 20 0 EHADRM C[C@H](C(=O)N1CC[C@H]1c1ccccc1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823660375 603330945 /nfs/dbraw/zinc/33/09/45/603330945.db2.gz AEBXVYZAHMVJMR-WBAXXEDZSA-N -1 0 338.407 3.605 20 0 EHADRM C[C@@H]1CN(C(=O)C(C)(C)CCCc2ccccc2)CC[C@@H]1NC(=O)[O-] ZINC000739124155 603335818 /nfs/dbraw/zinc/33/58/18/603335818.db2.gz RNZZYHYZCVBEJX-WBVHZDCISA-N -1 0 346.471 3.540 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N1CCc2ccccc21)C(=O)[O-] ZINC000739446751 603349968 /nfs/dbraw/zinc/34/99/68/603349968.db2.gz KEEZMLKYNYBWTN-UHFFFAOYSA-N -1 0 339.395 3.781 20 0 EHADRM Cc1cccc(CN(C)C(=O)Nc2cccc(CN(C)C(=O)[O-])c2)c1 ZINC000740168619 603357292 /nfs/dbraw/zinc/35/72/92/603357292.db2.gz DSDANTHEPPMOSV-UHFFFAOYSA-N -1 0 341.411 3.769 20 0 EHADRM O=C([O-])N1CCC[C@H]1CC(=O)N1CCCCC[C@@H]1c1ccccc1 ZINC000832006689 603362712 /nfs/dbraw/zinc/36/27/12/603362712.db2.gz ULZUMPYKLBIYJN-DLBZAZTESA-N -1 0 330.428 3.663 20 0 EHADRM Cc1csc([C@@H](C)NC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)n1 ZINC000830654933 603375541 /nfs/dbraw/zinc/37/55/41/603375541.db2.gz CTDOMZIDAZQYAY-GHMZBOCLSA-N -1 0 348.428 3.663 20 0 EHADRM C[C@@H](Cc1ccsc1)NC(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000825030426 603375975 /nfs/dbraw/zinc/37/59/75/603375975.db2.gz KFYOOEVYNLCJDP-RYUDHWBXSA-N -1 0 347.440 3.829 20 0 EHADRM CCN(Cc1ccccc1NC(=O)c1ccc(OC)cc1C)C(=O)[O-] ZINC000739444338 603394429 /nfs/dbraw/zinc/39/44/29/603394429.db2.gz WUDKAJSPPCFQBP-UHFFFAOYSA-N -1 0 342.395 3.756 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)[C@@H]1CCSc2ccccc21 ZINC000740713884 603396995 /nfs/dbraw/zinc/39/69/95/603396995.db2.gz DENXSVVUNSHVFR-GFCCVEGCSA-N -1 0 328.393 3.995 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)C[C@@H]2CCc3ccccc32)c1 ZINC000739916978 603397704 /nfs/dbraw/zinc/39/77/04/603397704.db2.gz DBBRYMPBVKEBBM-ZDUSSCGKSA-N -1 0 340.379 3.844 20 0 EHADRM COc1cc(NC(=O)C[C@H]2CCc3ccccc32)ccc1NC(=O)[O-] ZINC000739865490 603397968 /nfs/dbraw/zinc/39/79/68/603397968.db2.gz JIQCSZMNYHISSI-CYBMUJFWSA-N -1 0 340.379 3.844 20 0 EHADRM C[C@@H](CC(=O)N1CCC[C@@H]1c1cccc2ccccc21)NC(=O)[O-] ZINC000824581160 603398733 /nfs/dbraw/zinc/39/87/33/603398733.db2.gz LHEAQOSQGXFMFI-SUMWQHHRSA-N -1 0 326.396 3.550 20 0 EHADRM O=C([O-])NC[C@@H](c1nc(-c2cccc(Cl)c2)no1)c1ccccc1 ZINC000832433440 603408580 /nfs/dbraw/zinc/40/85/80/603408580.db2.gz PDFUFMLNUMGOKM-CQSZACIVSA-N -1 0 343.770 3.790 20 0 EHADRM O=C([O-])N(Cc1nc(-c2c(Cl)cccc2Cl)no1)CC1CC1 ZINC000831830742 603409178 /nfs/dbraw/zinc/40/91/78/603409178.db2.gz SYKLUBCQVIFTGI-UHFFFAOYSA-N -1 0 342.182 3.933 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(-c2cc3cccc(F)c3o2)n1 ZINC000824219442 603412918 /nfs/dbraw/zinc/41/29/18/603412918.db2.gz SYJNVYBIGIQIMJ-LLVKDONJSA-N -1 0 333.319 3.977 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@H](c2nc(Cc3ccccc3Cl)no2)C1 ZINC000832337775 603414308 /nfs/dbraw/zinc/41/43/08/603414308.db2.gz DHMCKBLNEAITSB-NWDGAFQWSA-N -1 0 335.791 3.608 20 0 EHADRM O=C([O-])NC1(c2noc([C@@H]3C[C@H]3c3cc(F)ccc3F)n2)CCCC1 ZINC000832228527 603416470 /nfs/dbraw/zinc/41/64/70/603416470.db2.gz RGOZRNMWADEFQJ-CMPLNLGQSA-N -1 0 349.337 3.656 20 0 EHADRM C[C@@H](C(=O)NC(C)(C)c1ccccc1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823677743 603418925 /nfs/dbraw/zinc/41/89/25/603418925.db2.gz NFZVMZAYMACWEQ-RHSMWYFYSA-N -1 0 340.423 3.683 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000825083353 603428104 /nfs/dbraw/zinc/42/81/04/603428104.db2.gz PSASILJOSGAWPD-GDPRMGEGSA-N -1 0 345.226 3.607 20 0 EHADRM CC(C)[C@@H](CC1CCCCC1)C(=O)N1CCC(CNC(=O)[O-])CC1 ZINC000738776517 603428401 /nfs/dbraw/zinc/42/84/01/603428401.db2.gz WIVVQYIAZWCJMO-QGZVFWFLSA-N -1 0 338.492 3.735 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCCC[C@@H]2c2nccs2)cc1 ZINC000738660091 603430491 /nfs/dbraw/zinc/43/04/91/603430491.db2.gz CECFDIBGEXSMSG-CYBMUJFWSA-N -1 0 331.397 3.600 20 0 EHADRM CC[C@H](OC1CCCC1)C(=O)N1CCCN(C(=O)[O-])c2ccccc21 ZINC000739280299 603430634 /nfs/dbraw/zinc/43/06/34/603430634.db2.gz UZGLHBKCHHRZPE-KRWDZBQOSA-N -1 0 346.427 3.646 20 0 EHADRM C[C@H](CC(=O)Nc1nc(-c2ccc(Cl)s2)cs1)NC(=O)[O-] ZINC000824710762 603436257 /nfs/dbraw/zinc/43/62/57/603436257.db2.gz LMAZFZCXYSQFOO-ZCFIWIBFSA-N -1 0 345.833 3.510 20 0 EHADRM C[C@H](OC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1)c1ccc(F)cc1Cl ZINC000829821655 603437768 /nfs/dbraw/zinc/43/77/68/603437768.db2.gz VOVLXQXDGVZICY-IQJOONFLSA-N -1 0 329.755 3.520 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)C/C=C/c2ccc(F)cc2)cc1 ZINC000832840786 603456969 /nfs/dbraw/zinc/45/69/69/603456969.db2.gz GVZMCGYLOCMMDO-OWOJBTEDSA-N -1 0 342.370 3.678 20 0 EHADRM CC(C)C[C@@H](C)OCCc1nc(-c2cccc(NC(=O)[O-])c2)no1 ZINC000824183146 603462601 /nfs/dbraw/zinc/46/26/01/603462601.db2.gz OFXDWLGDQIJJBZ-GFCCVEGCSA-N -1 0 333.388 3.820 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N1CC[C@H](C(C)C)C1)C(=O)[O-] ZINC000827181828 603472589 /nfs/dbraw/zinc/47/25/89/603472589.db2.gz AKEMPLKTOGJNEB-AWEZNQCLSA-N -1 0 333.432 3.696 20 0 EHADRM Cc1ccc(C(=O)Nc2cc(-c3cccs3)[nH]n2)cc1NC(=O)[O-] ZINC000830230260 603509092 /nfs/dbraw/zinc/50/90/92/603509092.db2.gz BBLLWOCXQZMNTE-UHFFFAOYSA-N -1 0 342.380 3.789 20 0 EHADRM CCN(CC1CCN(c2ncnc3sc(C)c(C)c32)CC1)C(=O)[O-] ZINC000827112232 603526804 /nfs/dbraw/zinc/52/68/04/603526804.db2.gz YKWPCZBNRCCORJ-UHFFFAOYSA-N -1 0 348.472 3.524 20 0 EHADRM C[C@H](c1ncc(C(C)(C)C)o1)N1CCC[C@H]([C@H]2CCCN2C(=O)[O-])C1 ZINC000825644361 603538491 /nfs/dbraw/zinc/53/84/91/603538491.db2.gz BTXQWPBWGNVLLV-QLFBSQMISA-N -1 0 349.475 3.888 20 0 EHADRM COc1ccc(NC(=O)c2cc(F)cc(Cl)c2)cc1NC(=O)[O-] ZINC000829474996 603629718 /nfs/dbraw/zinc/62/97/18/603629718.db2.gz ZAGZDUOZUVMLKI-UHFFFAOYSA-N -1 0 338.722 3.830 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1ccc(F)c(NC(=O)[O-])c1)C(F)(F)F ZINC000823759422 603637489 /nfs/dbraw/zinc/63/74/89/603637489.db2.gz HSXFZGFSIWNJLP-NSHDSACASA-N -1 0 336.285 3.622 20 0 EHADRM Cc1c(-c2nc(-c3cccc(NC(=O)[O-])c3)no2)cnn1C(C)(C)C ZINC000829833470 603640619 /nfs/dbraw/zinc/64/06/19/603640619.db2.gz KTMSCNVDJWDVPX-UHFFFAOYSA-N -1 0 341.371 3.753 20 0 EHADRM CC(C)C[C@@H]1CCN(C(=O)[C@H](C)[C@@H](NC(=O)[O-])c2ccccc2)C1 ZINC000824223135 603641802 /nfs/dbraw/zinc/64/18/02/603641802.db2.gz CDAGXIDLCJYHJX-HLLBOEOZSA-N -1 0 332.444 3.526 20 0 EHADRM Cc1noc(C)c1[C@@H](C)c1nc(-c2cccc(NC(=O)[O-])c2)no1 ZINC000830904268 603642627 /nfs/dbraw/zinc/64/26/27/603642627.db2.gz NPEZHWXJFAIOSB-MRVPVSSYSA-N -1 0 328.328 3.583 20 0 EHADRM Cc1ccc2c(c1)N(C(=O)c1ccc(F)c(NC(=O)[O-])c1)C[C@H](C)O2 ZINC000830446250 603679163 /nfs/dbraw/zinc/67/91/63/603679163.db2.gz MYMCFONCRSQRFX-NSHDSACASA-N -1 0 344.342 3.652 20 0 EHADRM CCN(CC1CCN(C(=O)c2oc3ccccc3c2C)CC1)C(=O)[O-] ZINC000827089504 603746386 /nfs/dbraw/zinc/74/63/86/603746386.db2.gz JMXZSUYUKZVQQO-UHFFFAOYSA-N -1 0 344.411 3.593 20 0 EHADRM Cc1cnc(COC(=O)c2cc3ccccc3cc2NC(=O)[O-])o1 ZINC000830629873 603794952 /nfs/dbraw/zinc/79/49/52/603794952.db2.gz IXKIQGHDCUCUBI-UHFFFAOYSA-N -1 0 326.308 3.583 20 0 EHADRM Cc1ccc(NC(=S)N(C)CC[C@H](NC(=O)[O-])C(C)C)c(C)c1 ZINC000830395434 603831911 /nfs/dbraw/zinc/83/19/11/603831911.db2.gz FAFZMBJUCWFPBC-AWEZNQCLSA-N -1 0 337.489 3.614 20 0 EHADRM O=C([O-])N1CCc2cccc(CNCc3coc(-c4ccccc4)n3)c21 ZINC000832086464 603865268 /nfs/dbraw/zinc/86/52/68/603865268.db2.gz FRLOZJFOHPBTBV-UHFFFAOYSA-N -1 0 349.390 3.672 20 0 EHADRM COc1ccc(N(C)C(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1F ZINC000829423122 603882247 /nfs/dbraw/zinc/88/22/47/603882247.db2.gz BAYCIFZFPGGKTD-UHFFFAOYSA-N -1 0 332.331 3.509 20 0 EHADRM O=C([O-])N1CCC[C@H](C(=O)Nc2ccc(CCC(F)(F)F)cc2)C1 ZINC000831758195 603887168 /nfs/dbraw/zinc/88/71/68/603887168.db2.gz VCHQADPYNMLOSP-LBPRGKRZSA-N -1 0 344.333 3.510 20 0 EHADRM CCC[C@@H](NC(=O)[O-])C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000826759244 603927850 /nfs/dbraw/zinc/92/78/50/603927850.db2.gz XTVFUBKNPIFAFT-GFCCVEGCSA-N -1 0 332.322 3.556 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)c1ccc(Cl)cc1F ZINC000831797339 603949598 /nfs/dbraw/zinc/94/95/98/603949598.db2.gz HQEGSGONKFOEDP-UHFFFAOYSA-N -1 0 334.734 3.772 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)c1cc2ccsc2[nH]1 ZINC000831793713 603960514 /nfs/dbraw/zinc/96/05/14/603960514.db2.gz PFTBUOAHRNCPIE-UHFFFAOYSA-N -1 0 327.365 3.522 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)Nc1cccc(F)c1F ZINC000831784908 603970465 /nfs/dbraw/zinc/97/04/65/603970465.db2.gz NPVZJXSXWLKSBR-UHFFFAOYSA-N -1 0 333.294 3.649 20 0 EHADRM O=C([O-])N[C@H]1CC[C@@H](C(=O)Nc2cccc(Nc3ccccc3)c2)C1 ZINC000832287132 603981142 /nfs/dbraw/zinc/98/11/42/603981142.db2.gz MMAUBLCQYNATET-DYVFJYSZSA-N -1 0 339.395 3.805 20 0 EHADRM C[C@H](Cc1ccsc1)NC(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000825030059 603994100 /nfs/dbraw/zinc/99/41/00/603994100.db2.gz GFQUPANRPZUZTP-LLVKDONJSA-N -1 0 345.424 3.541 20 0 EHADRM CC(C)C[C@H]1CCN(C(=O)Nc2cccc3c2CCN3C(=O)[O-])C1 ZINC000824232843 603995913 /nfs/dbraw/zinc/99/59/13/603995913.db2.gz TXEZOYFZMMEGJW-CYBMUJFWSA-N -1 0 331.416 3.627 20 0 EHADRM C[C@H](CC(=O)Nc1cc2c(cc1NC(=O)[O-])OCO2)c1ccccc1 ZINC000824687561 604011117 /nfs/dbraw/zinc/01/11/17/604011117.db2.gz VYIFSJBVRIXNIL-LLVKDONJSA-N -1 0 342.351 3.638 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(CNC(=O)[O-])cc2)[C@@H](c2ccco2)C1 ZINC000825945189 604025527 /nfs/dbraw/zinc/02/55/27/604025527.db2.gz URHUTTHHHBCTOM-CZUORRHYSA-N -1 0 342.395 3.661 20 0 EHADRM CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000827504067 604032698 /nfs/dbraw/zinc/03/26/98/604032698.db2.gz QRTIGNTYWBQGMM-QWHCGFSZSA-N -1 0 342.848 3.834 20 0 EHADRM CN(C(=O)[O-])c1ccc(OC(=O)/C=C\SCc2ccco2)cc1 ZINC000827908694 604045199 /nfs/dbraw/zinc/04/51/99/604045199.db2.gz PDDSKZVYCHJGJC-NTMALXAHSA-N -1 0 333.365 3.746 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)N1CCC[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000830329186 604066223 /nfs/dbraw/zinc/06/62/23/604066223.db2.gz OPMHMINAQAFMCZ-NEPJUHHUSA-N -1 0 339.823 3.548 20 0 EHADRM CCCc1ccccc1NC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000826954287 604071823 /nfs/dbraw/zinc/07/18/23/604071823.db2.gz PNWFCZRLQYEJRO-UKRRQHHQSA-N -1 0 333.432 3.539 20 0 EHADRM CC[C@@]1(C)CCN(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])C1 ZINC000826645528 604084549 /nfs/dbraw/zinc/08/45/49/604084549.db2.gz RMBSGBVGCJJNRM-SFHVURJKSA-N -1 0 331.416 3.771 20 0 EHADRM Cc1cc(C)c(NC(=O)N(C)C2CCC(NC(=O)[O-])CC2)c(C)c1 ZINC000829991329 604120031 /nfs/dbraw/zinc/12/00/31/604120031.db2.gz RHPSESZAOGVRQW-UHFFFAOYSA-N -1 0 333.432 3.654 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NCc2noc(-c3ccccc3)n2)cc1 ZINC000825448289 604130256 /nfs/dbraw/zinc/13/02/56/604130256.db2.gz CCHZDHSGBJQGDI-LBPRGKRZSA-N -1 0 338.367 3.677 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000825426672 604136696 /nfs/dbraw/zinc/13/66/96/604136696.db2.gz IEIAPWLNHUYQRK-DUVNUKRYSA-N -1 0 331.416 3.812 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N2C[C@@H]3CCCC[C@H]3C2)cc1 ZINC000825423750 604149626 /nfs/dbraw/zinc/14/96/26/604149626.db2.gz UIOLKQOUUBFABF-QEJZJMRPSA-N -1 0 331.416 3.669 20 0 EHADRM CC(C)c1ccc(CCC(=O)N2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)cc1 ZINC000824463943 604197599 /nfs/dbraw/zinc/19/75/99/604197599.db2.gz NTFSABKWDRXTHD-CRAIPNDOSA-N -1 0 346.471 3.637 20 0 EHADRM C[C@H](NC(=O)[O-])[C@H]1CCCN(Cc2csc(C3CCCC3)n2)C1 ZINC000825270752 604207248 /nfs/dbraw/zinc/20/72/48/604207248.db2.gz CJAPVVXDTKRFAY-JSGCOSHPSA-N -1 0 337.489 3.669 20 0 EHADRM Cc1ccc(C(=O)N2CC[C@@H](c3ccc(F)cc3)C2)cc1NC(=O)[O-] ZINC000830186396 604244481 /nfs/dbraw/zinc/24/44/81/604244481.db2.gz GXZHISJELWYQHU-OAHLLOKOSA-N -1 0 342.370 3.854 20 0 EHADRM C[C@@H](C(=O)O[C@@H](C)c1cccs1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000825536193 604246860 /nfs/dbraw/zinc/24/68/60/604246860.db2.gz QIFOXQWCLKRTMQ-TYNCELHUSA-N -1 0 333.409 3.997 20 0 EHADRM O=C([O-])N[C@H]1CC[C@H](C(=O)Oc2ccccc2SC(F)(F)F)C1 ZINC000832312639 604247928 /nfs/dbraw/zinc/24/79/28/604247928.db2.gz INYXKTWERCMOQD-IUCAKERBSA-N -1 0 349.330 3.640 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000832958433 604267900 /nfs/dbraw/zinc/26/79/00/604267900.db2.gz FCGCORLFLUBTIR-HNNXBMFYSA-N -1 0 334.375 3.613 20 0 EHADRM CC[C@H](C)Oc1ccc(NC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)cc1 ZINC000828765041 604292676 /nfs/dbraw/zinc/29/26/76/604292676.db2.gz SZTWRUDRSNUXNL-JTQLQIEISA-N -1 0 330.384 3.759 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-])c1ccncc1 ZINC000824696627 604294665 /nfs/dbraw/zinc/29/46/65/604294665.db2.gz VHGJGNRYHVLJGC-ZDUSSCGKSA-N -1 0 339.395 3.645 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000192870443 604300515 /nfs/dbraw/zinc/30/05/15/604300515.db2.gz GVHACWAHPJCWQX-BLLLJJGKSA-N -1 0 331.799 3.840 20 0 EHADRM CCN(C(=O)Cc1ccc(F)cc1Cl)c1ccccc1C(=O)[O-] ZINC000829597554 604317230 /nfs/dbraw/zinc/31/72/30/604317230.db2.gz PLJHQRVXAHVVHA-UHFFFAOYSA-N -1 0 335.762 3.773 20 0 EHADRM O=C([O-])c1cncc(NC(=O)N2CCCCC[C@@H]2c2ccco2)c1 ZINC000833341460 604323679 /nfs/dbraw/zinc/32/36/79/604323679.db2.gz RWTADBOWYUTJGD-CQSZACIVSA-N -1 0 329.356 3.522 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(CNc2ncnc3ccsc32)cc1 ZINC000825403242 604346179 /nfs/dbraw/zinc/34/61/79/604346179.db2.gz VUKIHKYPLXIPCO-SNVBAGLBSA-N -1 0 328.397 3.632 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)/C=C/c1ccccc1F)c1ccccc1 ZINC000826090192 604374542 /nfs/dbraw/zinc/37/45/42/604374542.db2.gz QSBLFDYXZSPAPQ-QFQMRYFISA-N -1 0 341.382 3.807 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)CSc1ccccc1)c1ccccc1 ZINC000826089482 604378005 /nfs/dbraw/zinc/37/80/05/604378005.db2.gz MNNMFODRRLDEKD-KRWDZBQOSA-N -1 0 343.448 3.747 20 0 EHADRM Cc1ccc(C(=O)Nc2cccc(OCCF)c2)cc1NC(=O)[O-] ZINC000830234318 604380120 /nfs/dbraw/zinc/38/01/20/604380120.db2.gz QSHRCXOYEGEIHH-UHFFFAOYSA-N -1 0 332.331 3.686 20 0 EHADRM CCOCCC1(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)CCCC1 ZINC000827393856 604385327 /nfs/dbraw/zinc/38/53/27/604385327.db2.gz HBMIETKIVLLCGL-AWEZNQCLSA-N -1 0 348.443 3.941 20 0 EHADRM C[C@@H]1CCC[C@H](OCC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000828244821 604392163 /nfs/dbraw/zinc/39/21/63/604392163.db2.gz DFRPNQFFPSPQMM-UWWQBHOKSA-N -1 0 347.455 3.550 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)Nc2cc(F)ccc2OC(F)F)cc1 ZINC000832838976 604401188 /nfs/dbraw/zinc/40/11/88/604401188.db2.gz OJVNWPPYJSDAQN-UHFFFAOYSA-N -1 0 340.257 3.769 20 0 EHADRM O=C([O-])c1ccc(Cl)cc1OC(=O)c1ccnn1C1CCCC1 ZINC000833316877 604408285 /nfs/dbraw/zinc/40/82/85/604408285.db2.gz GSYYXVRDUCRZBH-UHFFFAOYSA-N -1 0 334.759 3.569 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000825383811 604427497 /nfs/dbraw/zinc/42/74/97/604427497.db2.gz XEXQFFSNUJCWQQ-UONOGXRCSA-N -1 0 341.411 3.576 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cc(F)cc(F)c1 ZINC000829026151 604427805 /nfs/dbraw/zinc/42/78/05/604427805.db2.gz GZFARWGBUGUEIE-MRXNPFEDSA-N -1 0 333.334 3.643 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)CCc1ccsc1 ZINC000829026969 604429223 /nfs/dbraw/zinc/42/92/23/604429223.db2.gz LMGXTBRBEALEDK-MRXNPFEDSA-N -1 0 331.437 3.745 20 0 EHADRM CCCOc1cccc(CC(=O)Nc2cccc(NC(=O)[O-])c2)c1 ZINC000829541668 604435360 /nfs/dbraw/zinc/43/53/60/604435360.db2.gz TXSOSDHYHKWXGV-UHFFFAOYSA-N -1 0 328.368 3.747 20 0 EHADRM C[C@H](c1ccco1)N(C)C(=O)NCc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000825377893 604438907 /nfs/dbraw/zinc/43/89/07/604438907.db2.gz MVYKTABLOGFZIF-QWHCGFSZSA-N -1 0 345.399 3.511 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)[C@H](C)c2ccccc2F)cc1 ZINC000825372373 604453342 /nfs/dbraw/zinc/45/33/42/604453342.db2.gz NFOWEIMMJGFMBC-CHWSQXEVSA-N -1 0 344.386 3.574 20 0 EHADRM Cc1ccccc1CNC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000832978030 604456022 /nfs/dbraw/zinc/45/60/22/604456022.db2.gz FKIVYVIAWJBODR-QGZVFWFLSA-N -1 0 340.423 3.646 20 0 EHADRM CC(C)(C)SCCCC(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000833447073 604462275 /nfs/dbraw/zinc/46/22/75/604462275.db2.gz NGIXMYKYGPZBGT-ZDUSSCGKSA-N -1 0 335.469 3.903 20 0 EHADRM CC(C)(CCC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccccc1 ZINC000578230134 604462985 /nfs/dbraw/zinc/46/29/85/604462985.db2.gz LWXWVCGUYUWAEJ-UHFFFAOYSA-N -1 0 331.456 3.848 20 0 EHADRM CC(C)(C)SCCCC(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000833446750 604469248 /nfs/dbraw/zinc/46/92/48/604469248.db2.gz GNRVCCMRYJQXGO-AWEZNQCLSA-N -1 0 328.405 3.807 20 0 EHADRM CC[C@H](OC(=O)CCSCC(=O)[O-])c1ccc(Cl)cc1F ZINC000833644619 604480067 /nfs/dbraw/zinc/48/00/67/604480067.db2.gz KLRBIIWYZSYGBT-LBPRGKRZSA-N -1 0 334.796 3.681 20 0 EHADRM CC(C)(C)SCCCC(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC000833447399 604481804 /nfs/dbraw/zinc/48/18/04/604481804.db2.gz QSQFTGKIMGUSCC-UHFFFAOYSA-N -1 0 341.448 3.945 20 0 EHADRM CN(C(=O)c1ccc(NC(=O)[O-])cc1)c1ccc(-c2ccccc2)nn1 ZINC000827938308 604484971 /nfs/dbraw/zinc/48/49/71/604484971.db2.gz JTNGYTQEVZLMBU-UHFFFAOYSA-N -1 0 348.362 3.510 20 0 EHADRM Cc1c(CNC(=O)Nc2cc(C(=O)[O-])cs2)oc2ccccc12 ZINC000832853136 604485838 /nfs/dbraw/zinc/48/58/38/604485838.db2.gz DTYWAQXUCUNSPZ-UHFFFAOYSA-N -1 0 330.365 3.823 20 0 EHADRM C[C@H](NC(=O)Nc1cc(C(=O)[O-])cs1)c1ccc(F)cc1F ZINC000827664307 604493957 /nfs/dbraw/zinc/49/39/57/604493957.db2.gz FMVUCPAOVXPNTQ-ZETCQYMHSA-N -1 0 326.324 3.607 20 0 EHADRM C[C@@H](NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])c1ccccc1 ZINC000827659807 604494060 /nfs/dbraw/zinc/49/40/60/604494060.db2.gz UTMLBPLHKYDTDQ-RHSMWYFYSA-N -1 0 340.423 3.899 20 0 EHADRM CN(C(=O)Nc1cc(C(=O)[O-])cs1)[C@@H]1CCCc2ccccc21 ZINC000830500534 604500025 /nfs/dbraw/zinc/50/00/25/604500025.db2.gz RTTXGVSAZSIQIN-CQSZACIVSA-N -1 0 330.409 3.988 20 0 EHADRM O=C([O-])c1csc(NC(=O)NCCc2ccc(Cl)s2)c1 ZINC000833145460 604508613 /nfs/dbraw/zinc/50/86/13/604508613.db2.gz HLVRTEHKJCSMKP-UHFFFAOYSA-N -1 0 330.818 3.525 20 0 EHADRM CCCOCc1ccccc1CNC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000829522744 604511649 /nfs/dbraw/zinc/51/16/49/604511649.db2.gz HLIMNOBWMUMINU-UHFFFAOYSA-N -1 0 348.424 3.695 20 0 EHADRM O=C([O-])c1cc(CN2CCc3sccc3[C@H]2c2cccs2)c[nH]1 ZINC000833779895 604524050 /nfs/dbraw/zinc/52/40/50/604524050.db2.gz OPMOWZJRCDGDKL-INIZCTEOSA-N -1 0 344.461 3.984 20 0 EHADRM CC(C)[C@@H]1CCCN1C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000826735735 604524322 /nfs/dbraw/zinc/52/43/22/604524322.db2.gz IFYBFOANXMEDFZ-HOTGVXAUSA-N -1 0 332.444 3.669 20 0 EHADRM O=C([O-])N[C@@H]1CCN(C(=O)Nc2ccc(SC3CCCC3)cc2)C1 ZINC000740587658 604532615 /nfs/dbraw/zinc/53/26/15/604532615.db2.gz BLGORDHZPZPCEN-CYBMUJFWSA-N -1 0 349.456 3.595 20 0 EHADRM C[C@@H]1C[C@@H](C)CN(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000828160820 604534167 /nfs/dbraw/zinc/53/41/67/604534167.db2.gz KLTRHGOGQQLVEN-IIAWOOMASA-N -1 0 332.444 3.526 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1ccc(C(C)C)nc1 ZINC000831977701 604539152 /nfs/dbraw/zinc/53/91/52/604539152.db2.gz UMADYCJLUJBAJA-WEVVVXLNSA-N -1 0 341.363 3.531 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)CCC(=O)c2ccc(C)cc2)oc1C(=O)[O-] ZINC000832911397 604540342 /nfs/dbraw/zinc/54/03/42/604540342.db2.gz MXBUGRNGSWXXBR-CYBMUJFWSA-N -1 0 344.363 3.862 20 0 EHADRM Cc1cncc(/C=C/C(=O)Nc2cc3ccccc3cc2C(=O)[O-])c1 ZINC000832986797 604542507 /nfs/dbraw/zinc/54/25/07/604542507.db2.gz PGQUIKLUUYJATB-VOTSOKGWSA-N -1 0 332.359 3.893 20 0 EHADRM CC(C)c1ccc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)cn1 ZINC000827117856 604543310 /nfs/dbraw/zinc/54/33/10/604543310.db2.gz KXJZBYKYNCPQQM-UHFFFAOYSA-N -1 0 344.436 3.775 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)COc2cc(C)cc(C)c2)oc1C(=O)[O-] ZINC000832879147 604545231 /nfs/dbraw/zinc/54/52/31/604545231.db2.gz VUDIGBTXCMWPQD-CYBMUJFWSA-N -1 0 332.352 3.586 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2cc(Cl)ccc2F)oc1C(=O)[O-] ZINC000832877341 604552947 /nfs/dbraw/zinc/55/29/47/604552947.db2.gz XMNZAHIJKQVPOE-QMMMGPOBSA-N -1 0 326.707 3.997 20 0 EHADRM COc1ccc2cc(C(=O)O[C@@H](C)c3cc(C)c(C(=O)[O-])o3)[nH]c2c1 ZINC000832504709 604560092 /nfs/dbraw/zinc/56/00/92/604560092.db2.gz UHQOCBRURLBBCH-JTQLQIEISA-N -1 0 343.335 3.694 20 0 EHADRM C[C@@H](CC(=O)N1CCC[C@@H]1CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000262840858 604567646 /nfs/dbraw/zinc/56/76/46/604567646.db2.gz CDTNDHKASZJRTE-SMDDNHRTSA-N -1 0 343.345 3.665 20 0 EHADRM CSc1cc(C(=O)N2CCC[C@@H]2CC(=O)[O-])c(Cl)cc1Cl ZINC000262953935 604574346 /nfs/dbraw/zinc/57/43/46/604574346.db2.gz NBWPKBMCWYWBRF-MRVPVSSYSA-N -1 0 348.251 3.795 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000262816375 604577811 /nfs/dbraw/zinc/57/78/11/604577811.db2.gz AFLNMZDTPMPDJD-CQSZACIVSA-N -1 0 333.453 3.824 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2csc(C(C)(C)C)n2)oc1C(=O)[O-] ZINC000832872846 604580108 /nfs/dbraw/zinc/58/01/08/604580108.db2.gz BLSIMGNRVQTFLD-VIFPVBQESA-N -1 0 337.397 3.958 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000833508171 604580624 /nfs/dbraw/zinc/58/06/24/604580624.db2.gz XOUUQXYJHFUBAD-UHFFFAOYSA-N -1 0 342.395 3.536 20 0 EHADRM C[C@@H]1CC[C@@H](C)N(C(=O)Nc2cccc(CSCC(=O)[O-])c2)C1 ZINC000833601772 604587709 /nfs/dbraw/zinc/58/77/09/604587709.db2.gz FTTPKWGUYMMNDB-CHWSQXEVSA-N -1 0 336.457 3.657 20 0 EHADRM CS[C@@H](C(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1)c1ccccc1 ZINC000832736361 604589535 /nfs/dbraw/zinc/58/95/35/604589535.db2.gz UJMDTNAPUYEHCX-IAQYHMDHSA-N -1 0 334.393 3.995 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2cnc3ccsc3c2)oc1C(=O)[O-] ZINC000832873032 604592381 /nfs/dbraw/zinc/59/23/81/604592381.db2.gz DVTXNONFTXVTCW-VIFPVBQESA-N -1 0 331.349 3.814 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2scnc2C(C)(C)C)oc1C(=O)[O-] ZINC000832875466 604594298 /nfs/dbraw/zinc/59/42/98/604594298.db2.gz SFPHBQHSNDZYOY-VIFPVBQESA-N -1 0 337.397 3.958 20 0 EHADRM CCCOc1ccc(C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)cc1N ZINC000829527701 604597411 /nfs/dbraw/zinc/59/74/11/604597411.db2.gz KWUDXUZVLXCQLZ-NSHDSACASA-N -1 0 347.367 3.575 20 0 EHADRM Cc1cc([C@H](C)OC(=O)[C@@H](C)COc2ccccc2)oc1C(=O)[O-] ZINC000832874248 604600196 /nfs/dbraw/zinc/60/01/96/604600196.db2.gz JSGSRXBZPAVUFY-STQMWFEESA-N -1 0 332.352 3.606 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)cc1 ZINC000833290351 604622047 /nfs/dbraw/zinc/62/20/47/604622047.db2.gz RVZIGNRVIZNKKP-IXDOHACOSA-N -1 0 337.379 3.626 20 0 EHADRM Cc1nc2ccc(NCc3cc(C)c(OCC(=O)[O-])c(C)c3)cc2o1 ZINC000833005646 604647067 /nfs/dbraw/zinc/64/70/67/604647067.db2.gz FDNWZNYCBYQTCE-UHFFFAOYSA-N -1 0 340.379 3.829 20 0 EHADRM CC[C@@H](NC(=O)Nc1cccc(NC(=O)[O-])c1)c1c(C)noc1C ZINC000833642470 604657614 /nfs/dbraw/zinc/65/76/14/604657614.db2.gz AYSNTAGAPGCZQQ-CYBMUJFWSA-N -1 0 332.360 3.654 20 0 EHADRM C[C@@H](CC(=O)N(C)[C@@H](C)c1ccccc1)C1CCN(C(=O)[O-])CC1 ZINC000824552488 604662421 /nfs/dbraw/zinc/66/24/21/604662421.db2.gz QXBQVEAXRDPJEB-GJZGRUSLSA-N -1 0 332.444 3.622 20 0 EHADRM Cc1cc(F)cc(NC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000832887919 604666883 /nfs/dbraw/zinc/66/68/83/604666883.db2.gz MJFAUSKTZYCPGT-LRDDRELGSA-N -1 0 330.359 3.718 20 0 EHADRM Cc1cc([C@H](C)Sc2nncn2-c2ccccc2)oc1C(=O)[O-] ZINC000832872818 604682571 /nfs/dbraw/zinc/68/25/71/604682571.db2.gz AURNXKUNONWGPH-NSHDSACASA-N -1 0 329.381 3.720 20 0 EHADRM O=C([O-])[C@@H](OC(=O)Cc1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000833118062 604692447 /nfs/dbraw/zinc/69/24/47/604692447.db2.gz HEKLIVOMLONWGK-HNNXBMFYSA-N -1 0 340.709 3.530 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1ccc(F)c(Cl)c1)C(=O)[O-] ZINC000827454551 604695283 /nfs/dbraw/zinc/69/52/83/604695283.db2.gz CJEPBZAIQDXSJY-LBPRGKRZSA-N -1 0 349.789 3.842 20 0 EHADRM O=C([O-])C[C@@H]1CN(C(=O)Cc2ccc(F)cc2Cl)c2ccccc21 ZINC000833216239 604698291 /nfs/dbraw/zinc/69/82/91/604698291.db2.gz DDIOXWKFTVQMFU-GFCCVEGCSA-N -1 0 347.773 3.627 20 0 EHADRM CC(C)[C@@H](C(=O)OCC(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000833464630 604707632 /nfs/dbraw/zinc/70/76/32/604707632.db2.gz APKNUOQJCQXWDP-GOSISDBHSA-N -1 0 340.375 3.551 20 0 EHADRM Cc1c(C(=O)N(C)C2(C(=O)[O-])CCCC2)sc2cccc(F)c12 ZINC000324131467 604716666 /nfs/dbraw/zinc/71/66/66/604716666.db2.gz PNVSBKQFUVOLDY-UHFFFAOYSA-N -1 0 335.400 3.818 20 0 EHADRM O=C([O-])CCc1csc(NC(=O)c2cccc(Cl)c2Cl)n1 ZINC000833243921 604722325 /nfs/dbraw/zinc/72/23/25/604722325.db2.gz OGUHLPIWWBVRSA-UHFFFAOYSA-N -1 0 345.207 3.719 20 0 EHADRM CN(C(=O)[C@H]1C[C@@H]1c1cccc2ccccc21)C1(C(=O)[O-])CCCC1 ZINC000830457919 604725251 /nfs/dbraw/zinc/72/52/51/604725251.db2.gz PJIMCPKLPOVARN-MSOLQXFVSA-N -1 0 337.419 3.799 20 0 EHADRM Cc1cccc(C2(C(=O)Nc3nc(CCC(=O)[O-])cs3)CCC2)c1 ZINC000832966084 604732687 /nfs/dbraw/zinc/73/26/87/604732687.db2.gz QSKRFRJIUIXSEL-UHFFFAOYSA-N -1 0 344.436 3.529 20 0 EHADRM CC(C)(C)c1nc(COC(=O)CCc2ccccc2C(=O)[O-])cs1 ZINC000833450501 604734780 /nfs/dbraw/zinc/73/47/80/604734780.db2.gz FOCHJFUXVBUBFU-UHFFFAOYSA-N -1 0 347.436 3.815 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)C[C@H](C)C2CCN(C(=O)[O-])CC2)s1 ZINC000830250952 604743885 /nfs/dbraw/zinc/74/38/85/604743885.db2.gz LJIYEDAHTKXZNZ-WCQYABFASA-N -1 0 338.473 3.650 20 0 EHADRM C[C@]1(c2ccccc2)CCCN(C(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC000537475378 604746661 /nfs/dbraw/zinc/74/66/61/604746661.db2.gz LFRWTKPLBDJQNI-NRFANRHFSA-N -1 0 337.419 3.508 20 0 EHADRM Cc1cccc(Oc2ccc(NC(=O)c3cnc(C(=O)[O-])cn3)cc2)c1 ZINC000439914664 604781092 /nfs/dbraw/zinc/78/10/92/604781092.db2.gz BYLJPVSZIXRIBI-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM CC(C)[C@@H]1c2ccccc2CCN1C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000833474050 604788972 /nfs/dbraw/zinc/78/89/72/604788972.db2.gz UJTUNBONQQIGLO-HXUWFJFHSA-N -1 0 337.419 3.709 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1F ZINC000833309172 604809512 /nfs/dbraw/zinc/80/95/12/604809512.db2.gz NEHBWAOOLWSIHZ-UHFFFAOYSA-N -1 0 327.355 3.544 20 0 EHADRM CCN(Cc1cccc(NC(=O)CC2CCSCC2)c1)C(=O)[O-] ZINC000827168201 604833146 /nfs/dbraw/zinc/83/31/46/604833146.db2.gz WAZNVFALECPQME-UHFFFAOYSA-N -1 0 336.457 3.658 20 0 EHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)N(CC(=O)[O-])c1cccc(C)n1 ZINC000833383220 604835424 /nfs/dbraw/zinc/83/54/24/604835424.db2.gz IUYICZSLOCPQAI-ZRDIBKRKSA-N -1 0 344.798 3.565 20 0 EHADRM C[C@@H](CC(=O)N1CCc2ccccc2[C@@H]1C)C1CCN(C(=O)[O-])CC1 ZINC000824606360 604844121 /nfs/dbraw/zinc/84/41/21/604844121.db2.gz PREKVAKATNSVOK-GJZGRUSLSA-N -1 0 344.455 3.549 20 0 EHADRM CC(C)(C)c1nc(CN2CCc3ccc(C(=O)[O-])cc3C2)cs1 ZINC000321893859 604848996 /nfs/dbraw/zinc/84/89/96/604848996.db2.gz LYTMAYPYHFIWEL-UHFFFAOYSA-N -1 0 330.453 3.697 20 0 EHADRM O=C([O-])c1ccc(C(=O)OCc2ncc(-c3ccccc3)o2)cc1F ZINC000833353167 604849475 /nfs/dbraw/zinc/84/94/75/604849475.db2.gz GPJVYFULRYIKKF-UHFFFAOYSA-N -1 0 341.294 3.536 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=S)Nc2ccc3c(c2)CCC3)C1 ZINC000833416825 604856816 /nfs/dbraw/zinc/85/68/16/604856816.db2.gz GHWBXHSJVXJUHC-HNNXBMFYSA-N -1 0 346.496 3.695 20 0 EHADRM Cc1cc(F)ccc1C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000832889774 604863374 /nfs/dbraw/zinc/86/33/74/604863374.db2.gz OBHLMMAFFGUDTN-UHFFFAOYSA-N -1 0 339.269 3.686 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N(C)C2(C(=O)[O-])CCCCC2)o1 ZINC000326575826 604868219 /nfs/dbraw/zinc/86/82/19/604868219.db2.gz HLUXIKVODGDBGK-HIFRSBDPSA-N -1 0 333.428 3.582 20 0 EHADRM C/C(=C/C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1)C(C)(C)C ZINC000776688210 604870024 /nfs/dbraw/zinc/87/00/24/604870024.db2.gz MWXPJPMYBCMJQB-LEJCZOIISA-N -1 0 327.783 3.713 20 0 EHADRM O=C([O-])c1ccncc1C(=O)OCc1csc(C2CCCCC2)n1 ZINC000833334649 604870940 /nfs/dbraw/zinc/87/09/40/604870940.db2.gz REXDGRFGDGLYFR-UHFFFAOYSA-N -1 0 346.408 3.641 20 0 EHADRM C[C@@H]1CC[C@@H](CC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)C1 ZINC000833604697 604872837 /nfs/dbraw/zinc/87/28/37/604872837.db2.gz TZNGZRSADOCMEH-FCHSOHFDSA-N -1 0 327.783 3.547 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000611478732 604878573 /nfs/dbraw/zinc/87/85/73/604878573.db2.gz YUJRMGQWZMJOLT-GOEBONIOSA-N -1 0 349.496 3.658 20 0 EHADRM CC(C)CO[C@@H](C)C(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000833490015 604882081 /nfs/dbraw/zinc/88/20/81/604882081.db2.gz NHCYKMKGZGWNOU-GWCFXTLKSA-N -1 0 348.317 3.593 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2csc3ccccc23)C1 ZINC000322226738 604888088 /nfs/dbraw/zinc/88/80/88/604888088.db2.gz ZSWQKORMXKACFD-GFCCVEGCSA-N -1 0 331.437 3.864 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc3c(c2)CCCC3)C1 ZINC000325325723 604891522 /nfs/dbraw/zinc/89/15/22/604891522.db2.gz DPZDOLYZAVBEGQ-QGZVFWFLSA-N -1 0 329.440 3.528 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cccc(-c3ccoc3)c2)C1 ZINC000683323816 604895109 /nfs/dbraw/zinc/89/51/09/604895109.db2.gz CYVTZLUZOJTQRN-KRWDZBQOSA-N -1 0 341.407 3.910 20 0 EHADRM CC(C)COc1cccc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000326852925 604896556 /nfs/dbraw/zinc/89/65/56/604896556.db2.gz QQNYEESYMZQFEH-INIZCTEOSA-N -1 0 347.455 3.684 20 0 EHADRM O=C([O-])c1cncc(NC(=O)CCSc2ccccc2Cl)c1 ZINC000315823089 604898678 /nfs/dbraw/zinc/89/86/78/604898678.db2.gz CGAQGNHNUYMUDN-UHFFFAOYSA-N -1 0 336.800 3.554 20 0 EHADRM O=C([O-])c1cncc(NC(=O)C2(Sc3ccccc3)CCCC2)c1 ZINC000833338126 604901774 /nfs/dbraw/zinc/90/17/74/604901774.db2.gz RWIPLRPXHNFHQD-UHFFFAOYSA-N -1 0 342.420 3.823 20 0 EHADRM C[C@@H]1CC(=O)CC[C@@H]1C(=O)OCc1c2ccccc2sc1C(=O)[O-] ZINC000833593166 604910775 /nfs/dbraw/zinc/91/07/75/604910775.db2.gz PHKKPLIUASBYRL-PWSUYJOCSA-N -1 0 346.404 3.648 20 0 EHADRM Cc1ccc(C)c([C@H](C)N(C)C(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000832926488 604929839 /nfs/dbraw/zinc/92/98/39/604929839.db2.gz XMTSHBNTICXPPA-ZDUSSCGKSA-N -1 0 329.371 3.974 20 0 EHADRM CCc1oc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)cc1C ZINC000191201840 604930643 /nfs/dbraw/zinc/93/06/43/604930643.db2.gz GPCRNXJTALBMOT-UHFFFAOYSA-N -1 0 329.396 3.658 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1cccc2cccnc21 ZINC000833226859 604936673 /nfs/dbraw/zinc/93/66/73/604936673.db2.gz NNVRBGFGEONCCE-UHFFFAOYSA-N -1 0 348.402 3.742 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)N[C@H]2CCCC(F)(F)C2)ccc1F ZINC000833282513 604954432 /nfs/dbraw/zinc/95/44/32/604954432.db2.gz IRHJDBYVFUKQOU-VIFPVBQESA-N -1 0 331.294 3.615 20 0 EHADRM C[C@]1(NC(=O)Cc2csc3ccccc23)CCCC[C@@H]1C(=O)[O-] ZINC000262834252 604957503 /nfs/dbraw/zinc/95/75/03/604957503.db2.gz RIOJOGDSKDHJRM-KDOFPFPSSA-N -1 0 331.437 3.594 20 0 EHADRM Cc1ccc(NC(=O)N[C@H]2CCOC3(CCCCC3)C2)cc1C(=O)[O-] ZINC000832946544 604961489 /nfs/dbraw/zinc/96/14/89/604961489.db2.gz IREBCUUFSMKWBK-HNNXBMFYSA-N -1 0 346.427 3.697 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2ccnn2C2CCCC2)cc1 ZINC000825449322 604967723 /nfs/dbraw/zinc/96/77/23/604967723.db2.gz OBNGMPBSDSPYJZ-LBPRGKRZSA-N -1 0 342.399 3.579 20 0 EHADRM CC(C)Cc1ccc([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccn2)cc1 ZINC000833494401 604971428 /nfs/dbraw/zinc/97/14/28/604971428.db2.gz PJPZOJGLEXYDHA-CYBMUJFWSA-N -1 0 326.396 3.721 20 0 EHADRM CCC[C@H](C)[C@H]1CCCN1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000829207764 604973723 /nfs/dbraw/zinc/97/37/23/604973723.db2.gz FAPDRLOSHJCICT-WCQYABFASA-N -1 0 339.461 3.593 20 0 EHADRM CCC[C@H]1[C@@H](C)CCCN1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000829245229 604978483 /nfs/dbraw/zinc/97/84/83/604978483.db2.gz GYJUPCPMIOLGRY-AAEUAGOBSA-N -1 0 339.461 3.593 20 0 EHADRM CC(C)CC(C)(C)CNC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000391171909 604987792 /nfs/dbraw/zinc/98/77/92/604987792.db2.gz GGZXHTMRLUVYQS-AWEZNQCLSA-N -1 0 326.481 3.591 20 0 EHADRM CCc1nc(NC(=O)C/C=C\c2cccc(F)c2)sc1C(=O)[O-] ZINC000833676901 604994375 /nfs/dbraw/zinc/99/43/75/604994375.db2.gz XOSANXDWUGUNCP-XQRVVYSFSA-N -1 0 334.372 3.585 20 0 EHADRM CCCN1Cc2cccc(NC(=O)c3ccc(C(=O)[O-])c(F)c3)c2C1 ZINC000829508193 604995213 /nfs/dbraw/zinc/99/52/13/604995213.db2.gz OXWFVSGLWZZTPD-UHFFFAOYSA-N -1 0 342.370 3.502 20 0 EHADRM O=C([O-])[C@@H](Nc1cccc(COc2ccccc2)c1)c1cccnc1 ZINC000833170607 604995770 /nfs/dbraw/zinc/99/57/70/604995770.db2.gz RARVUFPLPRXZRA-IBGZPJMESA-N -1 0 334.375 3.898 20 0 EHADRM CCC[C@@H](C(=O)Nc1nc(CC)c(C(=O)[O-])s1)c1ccccc1 ZINC000833648401 604997283 /nfs/dbraw/zinc/99/72/83/604997283.db2.gz RZBDVDUQJGIBSC-GFCCVEGCSA-N -1 0 332.425 3.926 20 0 EHADRM CCc1nc(NC(=O)[C@@H](c2ccccc2)C(C)C)sc1C(=O)[O-] ZINC000833674027 604999350 /nfs/dbraw/zinc/99/93/50/604999350.db2.gz NTYPTSKKEIUBNX-CYBMUJFWSA-N -1 0 332.425 3.782 20 0 EHADRM C[C@H](C(=O)N(CCC(=O)[O-])Cc1ccccc1)c1c(F)cccc1F ZINC000649353097 605029484 /nfs/dbraw/zinc/02/94/84/605029484.db2.gz NWZKFFUWQMUFNW-ZDUSSCGKSA-N -1 0 347.361 3.572 20 0 EHADRM CC(C)(C(=O)N1CC[C@H](C(=O)[O-])C1)c1ccc(-c2ccccc2)cc1 ZINC000668280065 605054083 /nfs/dbraw/zinc/05/40/83/605054083.db2.gz OQRKAEBNXUDTKE-KRWDZBQOSA-N -1 0 337.419 3.564 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CC1 ZINC000833772353 605097787 /nfs/dbraw/zinc/09/77/87/605097787.db2.gz VHEFBXHTXZDGBK-UHFFFAOYSA-N -1 0 345.395 3.558 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NCC1(C2CC2)CCC1)C(=O)[O-] ZINC000193020563 605098600 /nfs/dbraw/zinc/09/86/00/605098600.db2.gz XVIAFVZQUAJZJI-LBPRGKRZSA-N -1 0 333.453 3.562 20 0 EHADRM CC(C)C[C@@H](C)NC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000833475220 605103750 /nfs/dbraw/zinc/10/37/50/605103750.db2.gz OEJSIFXFSMUPRU-CYBMUJFWSA-N -1 0 344.411 3.859 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1c(-c2ccccc2)ncn1C1CC1 ZINC000833455677 605106015 /nfs/dbraw/zinc/10/60/15/605106015.db2.gz NYHIJXBBUQJAPW-UHFFFAOYSA-N -1 0 341.411 3.715 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000191138514 605114416 /nfs/dbraw/zinc/11/44/16/605114416.db2.gz RIGRBBCWZGQOOS-IBGZPJMESA-N -1 0 343.398 3.922 20 0 EHADRM CC[C@](NC(=O)c1ccc(Cl)c(F)c1)(C(=O)[O-])c1ccccc1 ZINC000431435789 605126322 /nfs/dbraw/zinc/12/63/22/605126322.db2.gz RLWFGCMHNIYQDN-QGZVFWFLSA-N -1 0 335.762 3.599 20 0 EHADRM CN(Cc1ccc(NC(=O)[C@H](c2ccccc2)C2CC2)cc1)C(=O)[O-] ZINC000833695329 605129288 /nfs/dbraw/zinc/12/92/88/605129288.db2.gz LTOMVAOGWZKKPH-GOSISDBHSA-N -1 0 338.407 3.929 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)/C=C\c1ccc2[nH]ccc2c1)c1ccccc1 ZINC000833410964 605129368 /nfs/dbraw/zinc/12/93/68/605129368.db2.gz JQQBMIHEYJSNBA-VVUZVMFYSA-N -1 0 348.402 3.759 20 0 EHADRM CC(C)(C)Oc1cc(F)ccc1NC(=O)Cc1cccc(C(=O)[O-])c1 ZINC000833448059 605137059 /nfs/dbraw/zinc/13/70/59/605137059.db2.gz XBEFRFXSDFYUAM-UHFFFAOYSA-N -1 0 345.370 3.882 20 0 EHADRM C[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000833548309 605138575 /nfs/dbraw/zinc/13/85/75/605138575.db2.gz MYAMLMXZFLFBHL-SNVBAGLBSA-N -1 0 334.322 3.888 20 0 EHADRM CN(C(=O)c1ccccc1OC(F)(F)F)c1ccccc1C(=O)[O-] ZINC000833686710 605147634 /nfs/dbraw/zinc/14/76/34/605147634.db2.gz HAZYJCCLVYPBBP-UHFFFAOYSA-N -1 0 339.269 3.560 20 0 EHADRM Cc1nnc(S[C@H](CC(C)(C)C)C(=O)[O-])n1-c1ccccc1C ZINC000833752846 605148606 /nfs/dbraw/zinc/14/86/06/605148606.db2.gz BADXYOSFGUMATC-CQSZACIVSA-N -1 0 333.457 3.866 20 0 EHADRM CCn1c(Cc2ccccc2)nnc1S[C@H](CC(C)(C)C)C(=O)[O-] ZINC000833684321 605148620 /nfs/dbraw/zinc/14/86/20/605148620.db2.gz XWORUOMYBNPXOQ-CQSZACIVSA-N -1 0 347.484 3.870 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)Nc2cncc(C(=O)[O-])c2)C1 ZINC000833598191 605169949 /nfs/dbraw/zinc/16/99/49/605169949.db2.gz PJFRZRCLQFMBMJ-BDJLRTHQSA-N -1 0 343.358 3.534 20 0 EHADRM CCc1ccc([C@@H](C)N[C@@H](C(=O)OC)c2cccc(C(=O)[O-])c2)cc1 ZINC000833671481 605194703 /nfs/dbraw/zinc/19/47/03/605194703.db2.gz ZDMYQGWCPOIJLF-FZKQIMNGSA-N -1 0 341.407 3.512 20 0 EHADRM CC[C@@H](C)Oc1cc(C(=O)Nc2cccc(NC(=O)[O-])c2)ccn1 ZINC000833641238 605205746 /nfs/dbraw/zinc/20/57/46/605205746.db2.gz RJLZDHRJSNUTRD-LLVKDONJSA-N -1 0 329.356 3.601 20 0 EHADRM C[C@H](OC(=O)c1cccc([C@@H]2CCCOC2)c1)c1ccc(C(=O)[O-])o1 ZINC000833536119 605212339 /nfs/dbraw/zinc/21/23/39/605212339.db2.gz UQWNSYBFFXEHBE-SWLSCSKDSA-N -1 0 344.363 3.790 20 0 EHADRM CCc1ccc(CN(C(=O)Cc2ccccc2C(=O)[O-])C2CC2)cc1 ZINC000262212118 605231300 /nfs/dbraw/zinc/23/13/00/605231300.db2.gz LSBNGNDCUGGMMU-UHFFFAOYSA-N -1 0 337.419 3.681 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)/C=C/c1nc2ccccc2s1)C(=O)[O-] ZINC000833426669 605237385 /nfs/dbraw/zinc/23/73/85/605237385.db2.gz IDFMERBTBYXIBG-BCPZQOPPSA-N -1 0 333.409 3.742 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)/C=C/c1ccc2ccccc2n1)C(=O)[O-] ZINC000833427329 605240257 /nfs/dbraw/zinc/24/02/57/605240257.db2.gz KNPHPFPVOAYSNP-OFAQMXQXSA-N -1 0 327.380 3.681 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)CCCc1ccc2ccccc2c1 ZINC000262819076 605247702 /nfs/dbraw/zinc/24/77/02/605247702.db2.gz VQQZCHBBCSDWOE-UHFFFAOYSA-N -1 0 327.424 3.922 20 0 EHADRM C[C@@]1(c2ccccc2)CCCN(C(=O)Cc2ccccc2C(=O)[O-])C1 ZINC000262197072 605248931 /nfs/dbraw/zinc/24/89/31/605248931.db2.gz RSVIKJTXWUFVQS-OAQYLSRUSA-N -1 0 337.419 3.508 20 0 EHADRM CCC(CC)n1nc(C)cc1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000833641555 605250953 /nfs/dbraw/zinc/25/09/53/605250953.db2.gz FRSIUZQYSCQHMX-UHFFFAOYSA-N -1 0 344.415 3.573 20 0 EHADRM CC(C)n1ncc2cc(NCc3ccc(NC(=O)[O-])nc3)ccc21 ZINC000824534190 605257220 /nfs/dbraw/zinc/25/72/20/605257220.db2.gz DXEPHHCFZRKPLR-UHFFFAOYSA-N -1 0 325.372 3.714 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(Oc2ccccc2)cn1 ZINC000833454914 605260513 /nfs/dbraw/zinc/26/05/13/605260513.db2.gz XUMHOXHJFBPPPX-UHFFFAOYSA-N -1 0 328.368 3.703 20 0 EHADRM C[C@@H](COc1ccccc1)NC(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833517379 605281868 /nfs/dbraw/zinc/28/18/68/605281868.db2.gz AGUMYIHRNSZNOT-NSHDSACASA-N -1 0 347.346 3.505 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(NC(=O)[O-])c(F)c1)c1nccs1 ZINC000833643234 605283124 /nfs/dbraw/zinc/28/31/24/605283124.db2.gz PHSVKZSVGIXEBF-SNVBAGLBSA-N -1 0 338.364 3.645 20 0 EHADRM C[C@H]1C[C@H]1c1ccc(CNC(=O)Nc2ccc(NC(=O)[O-])c(F)c2)o1 ZINC000833603738 605284026 /nfs/dbraw/zinc/28/40/26/605284026.db2.gz HRGIJFHMBHAMOQ-JOYOIKCWSA-N -1 0 347.346 3.954 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)CCc1ccccc1C(=O)[O-])C(F)(F)F ZINC000263560268 605294618 /nfs/dbraw/zinc/29/46/18/605294618.db2.gz BJOCNYKVHKLDGI-CYBMUJFWSA-N -1 0 345.361 3.801 20 0 EHADRM C[C@H](Cc1noc(CSc2ccccc2Cl)n1)N(C)C(=O)[O-] ZINC000825047496 605301367 /nfs/dbraw/zinc/30/13/67/605301367.db2.gz GLWQPSSZCISMRU-SECBINFHSA-N -1 0 341.820 3.556 20 0 EHADRM C[C@@H](Oc1ccccc1)C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000191471218 605302045 /nfs/dbraw/zinc/30/20/45/605302045.db2.gz WVSLLRLLXPMVKS-AUUYWEPGSA-N -1 0 349.386 3.549 20 0 EHADRM O=C([O-])[C@H](NC(=O)CCc1ccccc1)c1ccc2ccccc2c1 ZINC000431888171 605302580 /nfs/dbraw/zinc/30/25/80/605302580.db2.gz URRMBTSCOUYDFG-HXUWFJFHSA-N -1 0 333.387 3.715 20 0 EHADRM O=C(CN(C(=O)[O-])c1ccccc1)OCc1nc2ccccc2s1 ZINC000831456046 605313042 /nfs/dbraw/zinc/31/30/42/605313042.db2.gz SITKEQGDHCPYIE-UHFFFAOYSA-N -1 0 342.376 3.524 20 0 EHADRM C[C@H](SCc1ccc(Br)c2cccnc12)C(=O)[O-] ZINC000833543856 605336212 /nfs/dbraw/zinc/33/62/12/605336212.db2.gz XLQKSXVGMJJWIL-QMMMGPOBSA-N -1 0 326.215 3.704 20 0 EHADRM CC[C@H]1CN(C(=O)CCC(C)(C)c2ccccc2)CC[C@H]1NC(=O)[O-] ZINC000833849191 605339313 /nfs/dbraw/zinc/33/93/13/605339313.db2.gz QBELSGTVUMCEIL-DOTOQJQBSA-N -1 0 346.471 3.639 20 0 EHADRM CCCc1c(C(=O)NCC(CC)(CC)C(=O)[O-])cnn1C1CCCC1 ZINC000833653190 605368170 /nfs/dbraw/zinc/36/81/70/605368170.db2.gz PJQVDBQQIGTXDQ-UHFFFAOYSA-N -1 0 349.475 3.572 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1nc(Cc2ccccc2)cs1 ZINC000833456180 605378459 /nfs/dbraw/zinc/37/84/59/605378459.db2.gz HDKMWQBBUXFRMT-UHFFFAOYSA-N -1 0 332.425 3.563 20 0 EHADRM CCC(CC)[C@@H]1C[C@@H](NC(=O)Nc2ccc(NC(=O)[O-])cc2)CCO1 ZINC000833642295 605396160 /nfs/dbraw/zinc/39/61/60/605396160.db2.gz KDIMBXKVDTVVTO-HOTGVXAUSA-N -1 0 349.431 3.882 20 0 EHADRM CCC(CC)[C@H]1C[C@@H](NC(=O)Nc2ccc(C)c(C(=O)[O-])c2)CCO1 ZINC000833642180 605398278 /nfs/dbraw/zinc/39/82/78/605398278.db2.gz HMMJTZRXSLZQBD-DOTOQJQBSA-N -1 0 348.443 3.799 20 0 EHADRM COc1cccc2[nH]cc(Cc3nc(-c4ccc(C(=O)[O-])cc4)no3)c21 ZINC000833735980 605418591 /nfs/dbraw/zinc/41/85/91/605418591.db2.gz QGIKBTWNIKBUJB-UHFFFAOYSA-N -1 0 349.346 3.516 20 0 EHADRM Cc1ccc(C[C@@H](C)C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000192862027 605451902 /nfs/dbraw/zinc/45/19/02/605451902.db2.gz GJFALFASXNZWAR-VQIMIIECSA-N -1 0 339.435 3.896 20 0 EHADRM CC(C)Cc1ccc(C(=O)N(C)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000653662302 605457025 /nfs/dbraw/zinc/45/70/25/605457025.db2.gz ATAQFBFCQRRTCP-UHFFFAOYSA-N -1 0 341.407 3.625 20 0 EHADRM CCn1c2cc(F)ccc2nc1NC(=O)c1ccccc1NC(=O)[O-] ZINC000833683534 605478304 /nfs/dbraw/zinc/47/83/04/605478304.db2.gz INCQTDYATJGMNB-UHFFFAOYSA-N -1 0 342.330 3.538 20 0 EHADRM Cc1nn(C)c(Oc2ccccc2)c1CNc1cccc(C(=O)[O-])c1 ZINC000833756175 605486460 /nfs/dbraw/zinc/48/64/60/605486460.db2.gz CFDCNVPVTGXJFC-UHFFFAOYSA-N -1 0 337.379 3.831 20 0 EHADRM O=C([O-])NC1CCC(C(=O)Nc2cnc(-c3ccccc3)s2)CC1 ZINC000834167312 605527739 /nfs/dbraw/zinc/52/77/39/605527739.db2.gz BWBCSYGSVRSGIQ-UHFFFAOYSA-N -1 0 345.424 3.575 20 0 EHADRM CCCN(C(=O)Nc1ccc(F)cc1C)C1CCN(C(=O)[O-])CC1 ZINC000826880158 605539090 /nfs/dbraw/zinc/53/90/90/605539090.db2.gz VLYDCQOEHDWYGN-UHFFFAOYSA-N -1 0 337.395 3.520 20 0 EHADRM CS[C@H](C)C(=O)Nc1cc(Br)cc(C)c1NC(=O)[O-] ZINC000833894193 605566880 /nfs/dbraw/zinc/56/68/80/605566880.db2.gz WPCYRORDMKXRIB-SSDOTTSWSA-N -1 0 347.234 3.537 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)C[C@H](NC(=O)[O-])c1ccccc1 ZINC000824424938 605585743 /nfs/dbraw/zinc/58/57/43/605585743.db2.gz JMZFVQWCUDCRIR-INIZCTEOSA-N -1 0 342.395 3.811 20 0 EHADRM CC(C)CC(C)(C)CNC(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC000833474108 605630803 /nfs/dbraw/zinc/63/08/03/605630803.db2.gz LHYIKVILLMHDCC-UHFFFAOYSA-N -1 0 347.459 3.529 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)CN(C(=O)[O-])c1ccccc1 ZINC000824425317 605631920 /nfs/dbraw/zinc/63/19/20/605631920.db2.gz NVHYHPCINCZLHX-UHFFFAOYSA-N -1 0 328.368 3.597 20 0 EHADRM O=C([O-])N1CCc2cccc(CNc3ccccc3-n3cccn3)c21 ZINC000834120709 605689448 /nfs/dbraw/zinc/68/94/48/605689448.db2.gz MYKFPQHSMOEDGN-UHFFFAOYSA-N -1 0 334.379 3.525 20 0 EHADRM CC[C@@H]1CN(C(=O)c2ccc(NC(=O)[O-])c(C)c2)c2ccccc2O1 ZINC000826690178 605701021 /nfs/dbraw/zinc/70/10/21/605701021.db2.gz JTHRYGLUZGHCFZ-CQSZACIVSA-N -1 0 340.379 3.903 20 0 EHADRM Cc1cc(C(=O)NC[C@H](C)Cc2cccs2)ccc1NC(=O)[O-] ZINC000829945193 605701786 /nfs/dbraw/zinc/70/17/86/605701786.db2.gz IQXGOPGDIRPUMT-LLVKDONJSA-N -1 0 332.425 3.755 20 0 EHADRM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000833604773 605713656 /nfs/dbraw/zinc/71/36/56/605713656.db2.gz GNBPPYLJSNHBEI-DTWKUNHWSA-N -1 0 348.296 3.719 20 0 EHADRM Cc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)o1 ZINC000833747755 605716016 /nfs/dbraw/zinc/71/60/16/605716016.db2.gz IGSZITSMWUVKIM-GFCCVEGCSA-N -1 0 329.135 3.878 20 0 EHADRM Cc1cncc(/C=C\c2nc([C@H]3CCCCCN3C(=O)[O-])no2)c1 ZINC000833912923 605723658 /nfs/dbraw/zinc/72/36/58/605723658.db2.gz VEZNDDCJQMMTLV-LMVHVUTASA-N -1 0 328.372 3.539 20 0 EHADRM CC(C)c1ccc([C@H](C)CC(=O)N2CC[C@@H](NC(=O)[O-])C[C@@H]2C)cc1 ZINC000824463243 605735576 /nfs/dbraw/zinc/73/55/76/605735576.db2.gz FEPYESAYCLVCBX-RVKKMQEKSA-N -1 0 346.471 3.951 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N[C@@H](c2cccs2)C2CC2)c1 ZINC000834265033 605757023 /nfs/dbraw/zinc/75/70/23/605757023.db2.gz KLOPUCCSXHHIFC-MRXNPFEDSA-N -1 0 330.409 3.648 20 0 EHADRM Cc1ccc(C(=O)N2C[C@H](C(F)(F)F)CC[C@H]2C)cc1NC(=O)[O-] ZINC000833902966 605769641 /nfs/dbraw/zinc/76/96/41/605769641.db2.gz URNFNXXEFCHLLN-ZYHUDNBSSA-N -1 0 344.333 3.888 20 0 EHADRM C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)CCCC(=O)[O-])c2)C1 ZINC000753975876 605778752 /nfs/dbraw/zinc/77/87/52/605778752.db2.gz HIXNPMPSLWUIHJ-RHSMWYFYSA-N -1 0 333.428 3.975 20 0 EHADRM CC(=O)N(C)c1ccccc1NCc1cc(C(=O)[O-])ccc1Cl ZINC000833389390 605783470 /nfs/dbraw/zinc/78/34/70/605783470.db2.gz MLBDSRSPXFGFAA-UHFFFAOYSA-N -1 0 332.787 3.633 20 0 EHADRM O=C([O-])N(CC(=O)Nc1ccc(F)cc1NC1CC1)c1ccccc1 ZINC000831451185 605786431 /nfs/dbraw/zinc/78/64/31/605786431.db2.gz RAKZKWMYCFRXFS-UHFFFAOYSA-N -1 0 343.358 3.523 20 0 EHADRM CC1(C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)CCCCCC1 ZINC000191004958 605787304 /nfs/dbraw/zinc/78/73/04/605787304.db2.gz ZXJGVQHZHHTBNE-UHFFFAOYSA-N -1 0 347.455 3.907 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)[C@H](c2ccccc2)C2CC2)c(F)c1 ZINC000833775387 605798072 /nfs/dbraw/zinc/79/80/72/605798072.db2.gz GTIJSXXLRVTRQF-GOSISDBHSA-N -1 0 328.339 3.552 20 0 EHADRM CC(C)(CC(=O)Nc1ccc(Sc2ccncc2)cc1)NC(=O)[O-] ZINC000823886032 605805317 /nfs/dbraw/zinc/80/53/17/605805317.db2.gz MWMZZPSYBUEHEC-UHFFFAOYSA-N -1 0 345.424 3.608 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)Nc2ccnn2C2CCCCC2)c1 ZINC000834265974 605809037 /nfs/dbraw/zinc/80/90/37/605809037.db2.gz HYTUZUMZYBABJS-UHFFFAOYSA-N -1 0 342.399 3.659 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)Nc2cc(-c3ccccc3)on2)c1 ZINC000834266595 605845057 /nfs/dbraw/zinc/84/50/57/605845057.db2.gz QEKRCYXYZRWXEY-UHFFFAOYSA-N -1 0 337.335 3.613 20 0 EHADRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)C1CCC(c2ccccc2)CC1 ZINC000825801001 605859576 /nfs/dbraw/zinc/85/95/76/605859576.db2.gz KCXQBNGXCMFXHJ-LTDKPHRXSA-N -1 0 344.455 3.608 20 0 EHADRM O=C([O-])N1CCc2cccc(CNc3ccn(-c4ccccc4)n3)c21 ZINC000832091957 605861728 /nfs/dbraw/zinc/86/17/28/605861728.db2.gz HOENYJLURVBSRN-UHFFFAOYSA-N -1 0 334.379 3.525 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(-c3c[nH]cn3)cc2)ccc1NC(=O)[O-] ZINC000829962037 605874641 /nfs/dbraw/zinc/87/46/41/605874641.db2.gz SEIIEIVNRSGZHL-UHFFFAOYSA-N -1 0 336.351 3.727 20 0 EHADRM CC(C)[C@H](NC(=O)CCCCNC(=O)[O-])c1ccc(Cl)cc1 ZINC000833792477 605885487 /nfs/dbraw/zinc/88/54/87/605885487.db2.gz HUHPBQIADHLMFI-HNNXBMFYSA-N -1 0 326.824 3.591 20 0 EHADRM O=C([O-])Nc1cccc(COC(=O)c2cncnc2-c2ccccc2)c1 ZINC000834267906 605895455 /nfs/dbraw/zinc/89/54/55/605895455.db2.gz FCEYJWSLYOJWJX-UHFFFAOYSA-N -1 0 349.346 3.591 20 0 EHADRM COc1ccc(NC(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)cc1NC(=O)[O-] ZINC000833888799 605911178 /nfs/dbraw/zinc/91/11/78/605911178.db2.gz HLIGELXYNAPBAE-KZULUSFZSA-N -1 0 347.415 3.829 20 0 EHADRM O=C([O-])N[C@@H](CNC(=O)N(c1ccccc1)c1ccccc1)C1CC1 ZINC000834139139 605962293 /nfs/dbraw/zinc/96/22/93/605962293.db2.gz HZWTZFNYWHDXCP-KRWDZBQOSA-N -1 0 339.395 3.581 20 0 EHADRM C[C@@H]1COc2ccccc2CN1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000833631730 605971312 /nfs/dbraw/zinc/97/13/12/605971312.db2.gz OUMGLQSKACGSTO-GFCCVEGCSA-N -1 0 341.367 3.592 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)N1CC=C(c2ccccc2)C1 ZINC000834056157 605972992 /nfs/dbraw/zinc/97/29/92/605972992.db2.gz KOPJOINPLDRYHE-UHFFFAOYSA-N -1 0 349.390 3.658 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2c(F)cc(Cl)cc2F)c1 ZINC000834263999 605973578 /nfs/dbraw/zinc/97/35/78/605973578.db2.gz HZKSZHJYZLKCAK-UHFFFAOYSA-N -1 0 326.686 3.960 20 0 EHADRM O=C(CCC1CCN(C(=O)[O-])CC1)N[C@@H]1CCSc2ccccc21 ZINC000833992076 606001491 /nfs/dbraw/zinc/00/14/91/606001491.db2.gz UHLXPZNFBZACMR-OAHLLOKOSA-N -1 0 348.468 3.510 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)c1ccc(N(C)C)cc1F ZINC000833905695 606005449 /nfs/dbraw/zinc/00/54/49/606005449.db2.gz ARSLZRBCJBKVJN-UHFFFAOYSA-N -1 0 331.347 3.542 20 0 EHADRM CNC(=O)c1cccc(CSCc2cccc(NC(=O)[O-])c2)c1 ZINC000833876606 606010061 /nfs/dbraw/zinc/01/00/61/606010061.db2.gz HMUJCIZRHDABME-UHFFFAOYSA-N -1 0 330.409 3.570 20 0 EHADRM O=C([O-])Nc1cccc(CSCc2nccn2CC(F)(F)F)c1 ZINC000834269715 606010916 /nfs/dbraw/zinc/01/09/16/606010916.db2.gz OBXVRLLTGJOPCJ-UHFFFAOYSA-N -1 0 345.346 3.969 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)Nc1cnn(C(C)(C)C)c1 ZINC000833906694 606012228 /nfs/dbraw/zinc/01/22/28/606012228.db2.gz XPZRLQFUODGTTL-UHFFFAOYSA-N -1 0 331.376 3.680 20 0 EHADRM O=C([O-])Nc1cccc(CCCOC(=O)c2scnc2Cl)c1 ZINC000834269469 606023648 /nfs/dbraw/zinc/02/36/48/606023648.db2.gz VJAFYGZEPVGNCY-UHFFFAOYSA-N -1 0 340.788 3.676 20 0 EHADRM O=C([O-])N[C@@H](CC(F)F)C(=O)Nc1cccc(-c2cccs2)c1 ZINC000834133815 606031849 /nfs/dbraw/zinc/03/18/49/606031849.db2.gz NDURSJMBUNAAJX-NSHDSACASA-N -1 0 340.351 3.645 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000834270768 606044217 /nfs/dbraw/zinc/04/42/17/606044217.db2.gz BOBVAZWETDBMNY-RYUDHWBXSA-N -1 0 344.333 3.556 20 0 EHADRM O=C([O-])N1CCC(CCC(=O)N2CCCCC[C@@H]2c2ccco2)CC1 ZINC000834075719 606053857 /nfs/dbraw/zinc/05/38/57/606053857.db2.gz LLYQCIFTVHZQHZ-MRXNPFEDSA-N -1 0 348.443 3.894 20 0 EHADRM Fc1ccc(Oc2snc(Cl)c2-c2nnn[n-]2)c(Cl)c1 ZINC000826375829 608169104 /nfs/dbraw/zinc/16/91/04/608169104.db2.gz DBYYUOBTLUVSLD-UHFFFAOYSA-N -1 0 332.147 3.561 20 0 EHADRM Cc1cccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1C ZINC000181897923 939033913 /nfs/dbraw/zinc/03/39/13/939033913.db2.gz WAWXIEDHPKEEQQ-HNNXBMFYSA-N -1 0 335.762 3.652 20 0 EHADRM CCOc1cccc(NC(=O)N[C@@](CC)(C(=O)[O-])c2ccccc2)c1 ZINC000684743772 939045327 /nfs/dbraw/zinc/04/53/27/939045327.db2.gz FEFBFQJTKWZILG-LJQANCHMSA-N -1 0 342.395 3.597 20 0 EHADRM CCn1cc(C(=O)NC2(C(=O)[O-])CCCCCC2)c2ccccc21 ZINC000237233665 939045948 /nfs/dbraw/zinc/04/59/48/939045948.db2.gz PNGHYNTXHHFAPW-UHFFFAOYSA-N -1 0 328.412 3.569 20 0 EHADRM CCC(C)(C)N(C)C(=O)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000684894584 939052406 /nfs/dbraw/zinc/05/24/06/939052406.db2.gz CIKQXPBITGSKPJ-GFCCVEGCSA-N -1 0 346.349 3.661 20 0 EHADRM CCC(C)(C)N(C)C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000684894929 939052494 /nfs/dbraw/zinc/05/24/94/939052494.db2.gz KNOZEAOGDOGULO-MRXNPFEDSA-N -1 0 328.412 3.796 20 0 EHADRM O=C([O-])[C@@H](NC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)c1ccccc1 ZINC000238008590 939053955 /nfs/dbraw/zinc/05/39/55/939053955.db2.gz NUSQIGNEYXIWPJ-UFYCRDLUSA-N -1 0 345.398 3.885 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC000263035724 939094667 /nfs/dbraw/zinc/09/46/67/939094667.db2.gz REWOWNSYVPIALN-OAGGEKHMSA-N -1 0 343.448 3.719 20 0 EHADRM CCC(CC)n1ncc(C(=O)NC2(C(=O)[O-])CCC(CC)CC2)c1C ZINC000263034365 939094678 /nfs/dbraw/zinc/09/46/78/939094678.db2.gz ZXIDSAFGSBOJQX-UHFFFAOYSA-N -1 0 349.475 3.706 20 0 EHADRM CCCc1nc(C)c(C(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2C)s1 ZINC000263045981 939095543 /nfs/dbraw/zinc/09/55/43/939095543.db2.gz NOMURJIPOCCWMG-OAHLLOKOSA-N -1 0 346.452 3.577 20 0 EHADRM C[C@](NC(=O)c1cc2cc(F)ccc2s1)(C(=O)[O-])c1ccccc1 ZINC000324599245 939126370 /nfs/dbraw/zinc/12/63/70/939126370.db2.gz IBIQMALZCAXHGE-GOSISDBHSA-N -1 0 343.379 3.770 20 0 EHADRM CCCCS[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000345814297 939128418 /nfs/dbraw/zinc/12/84/18/939128418.db2.gz VVQPZNXJBCYGNA-TVQRCGJNSA-N -1 0 347.839 3.643 20 0 EHADRM CC[C@](NC(=O)c1cc(C)n(C2CC2)c1C)(C(=O)[O-])c1ccccc1 ZINC000362344955 939129234 /nfs/dbraw/zinc/12/92/34/939129234.db2.gz BKYRYLPJEFLXAH-HXUWFJFHSA-N -1 0 340.423 3.560 20 0 EHADRM C[C@@H](CC(=O)NC1(C(=O)[O-])CCCCC1)c1c[nH]c2ccccc21 ZINC000797432413 939158232 /nfs/dbraw/zinc/15/82/32/939158232.db2.gz YOIVOXDFPFGHEX-ZDUSSCGKSA-N -1 0 328.412 3.565 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000431974413 939170335 /nfs/dbraw/zinc/17/03/35/939170335.db2.gz STLLMZOOSHCWOJ-UHFFFAOYSA-N -1 0 329.396 3.957 20 0 EHADRM CCCC[C@H](CC)C(=O)N[C@H](C(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000447892325 939204827 /nfs/dbraw/zinc/20/48/27/939204827.db2.gz GWUFPCZKUAJQBM-FZMZJTMJSA-N -1 0 343.370 3.746 20 0 EHADRM CC(C)c1cccc(O[C@@H](C)C(=O)N[C@H](C(=O)[O-])c2cccs2)c1 ZINC000448987893 939205220 /nfs/dbraw/zinc/20/52/20/939205220.db2.gz CSMRSPUCYXFOIP-LRDDRELGSA-N -1 0 347.436 3.581 20 0 EHADRM CC[C@H](CC(=O)N[C@H](C(=O)[O-])c1cccs1)c1ccc(C)cc1 ZINC000448992838 939205557 /nfs/dbraw/zinc/20/55/57/939205557.db2.gz MHIRYBOMOFBSLK-DYVFJYSZSA-N -1 0 331.437 3.882 20 0 EHADRM Cc1cccc(OCCCCC(=O)N[C@H](C(=O)[O-])c2cccs2)c1 ZINC000448997138 939206769 /nfs/dbraw/zinc/20/67/69/939206769.db2.gz UCLIEHUQQFQOLZ-KRWDZBQOSA-N -1 0 347.436 3.548 20 0 EHADRM CCc1cc(NC(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)ccc1C ZINC000797745414 939208040 /nfs/dbraw/zinc/20/80/40/939208040.db2.gz QUXNMFWXGXDQBU-MRXNPFEDSA-N -1 0 348.349 3.783 20 0 EHADRM CC/C=C(\C)C(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000836750259 939224200 /nfs/dbraw/zinc/22/42/00/939224200.db2.gz IJCFZOCNLHTYBL-BOSPYUDASA-N -1 0 330.211 3.766 20 0 EHADRM CC[C@](NC(=O)N[C@H](C)c1ccc(C)cc1)(C(=O)[O-])c1ccccc1 ZINC000517212617 939247446 /nfs/dbraw/zinc/24/74/46/939247446.db2.gz RHEOBMAECGQKLO-FOIQADDNSA-N -1 0 340.423 3.745 20 0 EHADRM Cc1ccc(-c2ccncc2)cc1NC(=O)NC1(C(=O)[O-])CCCC1 ZINC000900332390 939275599 /nfs/dbraw/zinc/27/55/99/939275599.db2.gz BCOJWOLWUMPYGM-UHFFFAOYSA-N -1 0 339.395 3.576 20 0 EHADRM CC(C)(C)CCCC(=O)N[C@H](C(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000538505970 939278335 /nfs/dbraw/zinc/27/83/35/939278335.db2.gz WWUGKDCLNVOHTK-AWEZNQCLSA-N -1 0 343.370 3.746 20 0 EHADRM CCc1ccc(CC(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC000540666366 939289172 /nfs/dbraw/zinc/28/91/72/939289172.db2.gz KMQQFQKANSWGDA-QGZVFWFLSA-N -1 0 349.789 3.526 20 0 EHADRM C[C@](NC(=O)c1cc(C2CC2)oc1C1CC1)(C(=O)[O-])c1ccccc1 ZINC000907577161 939299936 /nfs/dbraw/zinc/29/99/36/939299936.db2.gz QIHMUVMDPNLWJX-HXUWFJFHSA-N -1 0 339.391 3.764 20 0 EHADRM Cc1cc([C@H](NC(=O)Nc2ccccc2Cl)C(=O)[O-])ccc1F ZINC000555760240 939302230 /nfs/dbraw/zinc/30/22/30/939302230.db2.gz KZJGKQLOXAEMKP-AWEZNQCLSA-N -1 0 336.750 3.735 20 0 EHADRM Cc1cc(C)cc([C@H](NC(=O)Nc2ccc(F)c(F)c2)C(=O)[O-])c1 ZINC000555771595 939302701 /nfs/dbraw/zinc/30/27/01/939302701.db2.gz JSFYWXCNRWXIEE-HNNXBMFYSA-N -1 0 334.322 3.529 20 0 EHADRM Cc1sc(NC(=O)N[C@H](C(=O)[O-])c2cccs2)nc1C(C)C ZINC000908664948 939304891 /nfs/dbraw/zinc/30/48/91/939304891.db2.gz HOWJJWAXYLBYAC-NSHDSACASA-N -1 0 339.442 3.584 20 0 EHADRM Cc1ccc([C@@H](NC(=O)Nc2ccccc2Cl)C(=O)[O-])cc1C ZINC000565400177 939348357 /nfs/dbraw/zinc/34/83/57/939348357.db2.gz ZFTOCQPCKMIIBH-OAHLLOKOSA-N -1 0 332.787 3.904 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1ccccc1)c1ccc(Cl)cc1Cl ZINC000566892849 939358076 /nfs/dbraw/zinc/35/80/76/939358076.db2.gz IFBQEKRKDQMPGO-ZDUSSCGKSA-N -1 0 339.178 3.941 20 0 EHADRM CCC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000570423837 939383429 /nfs/dbraw/zinc/38/34/29/939383429.db2.gz OXZKOZLXKPLNKA-ZWKOTPCHSA-N -1 0 340.423 3.523 20 0 EHADRM C[C@@](NC(=O)C1=CCCC1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000909756729 939727527 /nfs/dbraw/zinc/72/75/27/939727527.db2.gz PKEADKSAIKEZRO-HNNXBMFYSA-N -1 0 328.195 3.520 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2cccc(CSC3CCCC3)c2)CCC1 ZINC000574748057 939729244 /nfs/dbraw/zinc/72/92/44/939729244.db2.gz SJQRLCNBPHYJNN-UHFFFAOYSA-N -1 0 348.468 3.991 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CCCCCc1cccs1)c1ccsc1 ZINC000575815669 939734182 /nfs/dbraw/zinc/73/41/82/939734182.db2.gz NOMLBHKPGROVIX-HNNXBMFYSA-N -1 0 337.466 3.855 20 0 EHADRM Cc1ccc([C@H](NC(=O)NCc2cccc(Cl)c2)C(=O)[O-])cc1C ZINC000578077001 939751156 /nfs/dbraw/zinc/75/11/56/939751156.db2.gz HWUZCXYPHHOWQX-INIZCTEOSA-N -1 0 346.814 3.582 20 0 EHADRM O=C([O-])[C@H](NC(=O)Nc1ccc(Oc2cccc(F)c2)cc1)C1CC1 ZINC000578949271 939758466 /nfs/dbraw/zinc/75/84/66/939758466.db2.gz ITNMLLIQZSROQR-MRXNPFEDSA-N -1 0 344.342 3.603 20 0 EHADRM C[C@H](CC(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21)C(F)(F)F ZINC000910937401 939761189 /nfs/dbraw/zinc/76/11/89/939761189.db2.gz REYDOSHFLHFHDT-MEBBXXQBSA-N -1 0 339.313 3.670 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccn2)cc1Cl ZINC000911481171 939773581 /nfs/dbraw/zinc/77/35/81/939773581.db2.gz GNTYSMUJLMXRRH-HNNXBMFYSA-N -1 0 346.814 3.588 20 0 EHADRM CC(C)Cn1ccc2cc(NC(=O)N[C@](C)(C(=O)[O-])C3CC3)ccc21 ZINC000581329288 939777505 /nfs/dbraw/zinc/77/75/05/939777505.db2.gz RLGPRWGLRCYRNO-IBGZPJMESA-N -1 0 343.427 3.672 20 0 EHADRM CCOCc1ccc(NC(=O)NC2(C(=O)[O-])CCCCCC2)cc1 ZINC000583197426 939789456 /nfs/dbraw/zinc/78/94/56/939789456.db2.gz FRXMKCCOAIHMGT-UHFFFAOYSA-N -1 0 334.416 3.522 20 0 EHADRM CC(C)OCc1cccc(NC(=O)NC2(C(=O)[O-])CCCCC2)c1 ZINC000583652353 939792235 /nfs/dbraw/zinc/79/22/35/939792235.db2.gz DWHUYXJEFPUHDW-UHFFFAOYSA-N -1 0 334.416 3.521 20 0 EHADRM Cc1ccc([C@@H](NC(=O)N[C@H](C)c2ccsc2)C(=O)[O-])cc1C ZINC000929034176 939795682 /nfs/dbraw/zinc/79/56/82/939795682.db2.gz MYNUAOJBNOPKDG-IUODEOHRSA-N -1 0 332.425 3.551 20 0 EHADRM CCSCc1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC000610847681 939808050 /nfs/dbraw/zinc/80/80/50/939808050.db2.gz FPCMZSBTZAORAF-LJQANCHMSA-N -1 0 343.448 3.670 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(C(F)F)cc1F)C1CCCCC1 ZINC000621585758 939811084 /nfs/dbraw/zinc/81/10/84/939811084.db2.gz JOPHXBFKCCWBJR-ZDUSSCGKSA-N -1 0 329.318 3.527 20 0 EHADRM C[C@H](NC(=O)[C@@H](C(=O)[O-])C1CCCC1)c1ccc(Cl)c(F)c1 ZINC001118574464 939812496 /nfs/dbraw/zinc/81/24/96/939812496.db2.gz IFBKBDZQEGQIPS-XPTSAGLGSA-N -1 0 327.783 3.547 20 0 EHADRM Cc1cc(C(F)F)oc1C(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC000630187948 939814514 /nfs/dbraw/zinc/81/45/14/939814514.db2.gz DYOZXDLZEOOFNF-ZDUSSCGKSA-N -1 0 337.322 3.698 20 0 EHADRM C[C@@H](CCC(=O)N[C@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000649355565 939832682 /nfs/dbraw/zinc/83/26/82/939832682.db2.gz ZPOZWPCNRUSQJQ-YWZLYKJASA-N -1 0 325.408 3.687 20 0 EHADRM Cc1c(Br)cccc1NC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC000663077029 939853001 /nfs/dbraw/zinc/85/30/01/939853001.db2.gz GKEYQHQTMLCWBA-CYBMUJFWSA-N -1 0 340.217 3.587 20 0 EHADRM CC(C)Oc1ccccc1[C@@H](C)NC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC000663083187 939853639 /nfs/dbraw/zinc/85/36/39/939853639.db2.gz JFMYNSHWPNBHGH-CXAGYDPISA-N -1 0 333.428 3.542 20 0 EHADRM C[C@H](C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)c1cccc(Cl)c1 ZINC000678976907 939868217 /nfs/dbraw/zinc/86/82/17/939868217.db2.gz MEDUKKNHNRWMDD-KPZWWZAWSA-N -1 0 331.799 3.560 20 0 EHADRM CCC1CCC(NC(=O)c2cc3cccc(F)c3o2)(C(=O)[O-])CC1 ZINC000678982451 939868589 /nfs/dbraw/zinc/86/85/89/939868589.db2.gz GZFSUKKEZFQZKS-UHFFFAOYSA-N -1 0 333.359 3.725 20 0 EHADRM CCCCc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000678986824 939869188 /nfs/dbraw/zinc/86/91/88/939869188.db2.gz OGLPVADAXZOYIH-KRWDZBQOSA-N -1 0 329.371 3.724 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)N[C@H](C(=O)[O-])c3ccccc3F)cc2C1 ZINC000678987272 939869228 /nfs/dbraw/zinc/86/92/28/939869228.db2.gz QJQKUZKQKIXPPV-HWPZZCPQSA-N -1 0 347.411 3.568 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)N[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000678987951 939869297 /nfs/dbraw/zinc/86/92/97/939869297.db2.gz VHOGCUZTSHUFGV-DJJJIMSYSA-N -1 0 343.398 3.824 20 0 EHADRM C[C@@H](C(=O)N[C@]1(C(=O)[O-])CCc2ccccc21)c1ccc(Cl)s1 ZINC000683310210 939870682 /nfs/dbraw/zinc/87/06/82/939870682.db2.gz RKSUGJKAMYMCLI-BMLIUANNSA-N -1 0 349.839 3.548 20 0 EHADRM CC[C@@H](NC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1)C(C)C ZINC000684724600 939872850 /nfs/dbraw/zinc/87/28/50/939872850.db2.gz HFGGAGAEDBFBGU-SJORKVTESA-N -1 0 328.412 3.699 20 0 EHADRM Cc1sc2ncnc(NCCc3ccccc3C(=O)[O-])c2c1C ZINC000321532901 970780502 /nfs/dbraw/zinc/78/05/02/970780502.db2.gz XQEIMZGMXGQBOR-UHFFFAOYSA-N -1 0 327.409 3.661 20 0 EHADRM Cc1nc(C(C)C)sc1[C@H](C)OC(=O)c1ccc(C(=O)[O-])nc1 ZINC001600688174 970847949 /nfs/dbraw/zinc/84/79/49/970847949.db2.gz STERIXNPOGTBBG-JTQLQIEISA-N -1 0 334.397 3.586 20 0 EHADRM CC1(C)CCC[C@H](NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000322620302 970910837 /nfs/dbraw/zinc/91/08/37/970910837.db2.gz RLNCKJARDKPWOQ-VIFPVBQESA-N -1 0 326.343 3.753 20 0 EHADRM O=C([O-])c1ccccc1CS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000322620999 970911004 /nfs/dbraw/zinc/91/10/04/970911004.db2.gz VLYIIUQMAMDBCJ-UHFFFAOYSA-N -1 0 345.203 3.666 20 0 EHADRM C[C@H]1CCN(Cc2coc(-c3ccc(Cl)cc3)n2)[C@@H](C(=O)[O-])C1 ZINC000322774634 970928416 /nfs/dbraw/zinc/92/84/16/970928416.db2.gz KJTYXKIOUFRXPE-XHDPSFHLSA-N -1 0 334.803 3.680 20 0 EHADRM N#Cc1ccc(CN2C[C@@H](CC(=O)[O-])c3ccccc32)c(Cl)c1 ZINC000323145653 970970818 /nfs/dbraw/zinc/97/08/18/970970818.db2.gz GPXFHJDGTMFAQN-CQSZACIVSA-N -1 0 326.783 3.790 20 0 EHADRM O=C([O-])C1CCC(NC(=O)c2cc(Cl)c(F)cc2Cl)CC1 ZINC001601435986 970997972 /nfs/dbraw/zinc/99/79/72/970997972.db2.gz XJCMIQVWPXFYTQ-UHFFFAOYSA-N -1 0 334.174 3.506 20 0 EHADRM CCc1ccc(NC(=O)[C@@H]2CSc3ccccc32)c(C(=O)[O-])c1 ZINC000323395813 970999487 /nfs/dbraw/zinc/99/94/87/970999487.db2.gz LXVVGYPBDBQUAI-CQSZACIVSA-N -1 0 327.405 3.775 20 0 EHADRM Cc1[nH]c(=O)nc(SCCC23CC4CC(CC(C4)C2)C3)c1C(=O)[O-] ZINC000323864920 971048310 /nfs/dbraw/zinc/04/83/10/971048310.db2.gz GWFABBSFRKASQV-UHFFFAOYSA-N -1 0 348.468 3.887 20 0 EHADRM Cc1cccc(O[C@H](C)C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)c1 ZINC000323999303 971072490 /nfs/dbraw/zinc/07/24/90/971072490.db2.gz FGKCKTBFANQIDZ-LLVKDONJSA-N -1 0 345.420 3.649 20 0 EHADRM CC1(C)CCCC[C@H]1NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000324118367 971085580 /nfs/dbraw/zinc/08/55/80/971085580.db2.gz PLBOUOMIMNBHIN-LLVKDONJSA-N -1 0 326.343 3.753 20 0 EHADRM Cc1ccc(CCC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1Cl ZINC000324150913 971089596 /nfs/dbraw/zinc/08/95/96/971089596.db2.gz YILAXIZGZMPIJX-XIRDDKMYSA-N -1 0 349.858 3.825 20 0 EHADRM CC(C)N(C)c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1F ZINC000324203648 971096726 /nfs/dbraw/zinc/09/67/26/971096726.db2.gz NKWZPIQGXSCDGV-UHFFFAOYSA-N -1 0 330.359 3.621 20 0 EHADRM O=C([O-])c1cc(NC(=O)NCCCOc2ccccc2)ccc1Cl ZINC000324450222 971121848 /nfs/dbraw/zinc/12/18/48/971121848.db2.gz FZCMKGAVMAXFOM-UHFFFAOYSA-N -1 0 348.786 3.629 20 0 EHADRM Cc1cc(-c2nnc(CC(C)(C)CC(=O)[O-])o2)c2ccccc2n1 ZINC000324740190 971153032 /nfs/dbraw/zinc/15/30/32/971153032.db2.gz MWVRRAFBFYTMKU-UHFFFAOYSA-N -1 0 325.368 3.637 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CCc1nc2ccccc2s1 ZINC000324913349 971168917 /nfs/dbraw/zinc/16/89/17/971168917.db2.gz XWPBMGGRDBSHEW-UHFFFAOYSA-N -1 0 340.404 3.874 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2cc(-c3ccccc3)no2)s1 ZINC000324925625 971169848 /nfs/dbraw/zinc/16/98/48/971169848.db2.gz MHMMJJNBUWBGEC-UHFFFAOYSA-N -1 0 342.376 3.916 20 0 EHADRM CCCOc1ccc(NC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000325053541 971179720 /nfs/dbraw/zinc/17/97/20/971179720.db2.gz UPEYFFJLPHQIOA-UHFFFAOYSA-N -1 0 332.331 3.957 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)/C=C/c1ccc(Cl)cc1)CC2 ZINC000325346364 971206789 /nfs/dbraw/zinc/20/67/89/971206789.db2.gz JYIAHXUWQYHMLR-FPYGCLRLSA-N -1 0 341.794 3.636 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(Cc1csc(-c3ccco3)n1)CC2 ZINC000325365007 971209327 /nfs/dbraw/zinc/20/93/27/971209327.db2.gz NWBRTVOSUXSSHE-UHFFFAOYSA-N -1 0 340.404 3.660 20 0 EHADRM O=C([O-])c1cncc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC001602538848 971219285 /nfs/dbraw/zinc/21/92/85/971219285.db2.gz GEQLIVDSASDJSI-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)O[C@H]2CCc3c2cccc3OCC2CC2)C1 ZINC001602611038 971224041 /nfs/dbraw/zinc/22/40/41/971224041.db2.gz XTFBQNVKOOASLU-GLJUWKHASA-N -1 0 344.407 3.507 20 0 EHADRM Cc1ccccc1CN(C)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000325573310 971228220 /nfs/dbraw/zinc/22/82/20/971228220.db2.gz LONCMLKBOUVICU-UHFFFAOYSA-N -1 0 334.322 3.635 20 0 EHADRM O=C([O-])CC1(NC(=O)Nc2ccccc2OC(F)F)CCCCC1 ZINC000325660624 971234039 /nfs/dbraw/zinc/23/40/39/971234039.db2.gz KMRFFOQNSJICLB-UHFFFAOYSA-N -1 0 342.342 3.587 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)N2CCC3(CCCC3)CC2)cc1F ZINC000325654869 971234131 /nfs/dbraw/zinc/23/41/31/971234131.db2.gz ZTMQPGWUAJWAAG-UHFFFAOYSA-N -1 0 338.354 3.851 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)c1cccc2ccccc21 ZINC000326390676 971288548 /nfs/dbraw/zinc/28/85/48/971288548.db2.gz KLFHEJCXARUQJU-GOSISDBHSA-N -1 0 325.408 3.993 20 0 EHADRM Cc1cc(-c2nc(-c3cccc(C(=O)[O-])c3)no2)c2ccccc2n1 ZINC000326715836 971320204 /nfs/dbraw/zinc/32/02/04/971320204.db2.gz YAMPCNHTDXHDBR-UHFFFAOYSA-N -1 0 331.331 3.958 20 0 EHADRM Cc1oc(CNC(=O)N[C@H]2CCCCC23CCCC3)cc1C(=O)[O-] ZINC000326806180 971329528 /nfs/dbraw/zinc/32/95/28/971329528.db2.gz UOATZNUMIDPBOI-HNNXBMFYSA-N -1 0 334.416 3.588 20 0 EHADRM O=C([O-])c1cc(NC(=O)Cc2ccc3c(c2)CCCC3)c(F)cc1F ZINC000327044079 971359800 /nfs/dbraw/zinc/35/98/00/971359800.db2.gz VTBXGMQQXYUGLQ-UHFFFAOYSA-N -1 0 345.345 3.723 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)NCCc1ccccc1C(=O)[O-])c1ccccc1 ZINC000327178976 971375223 /nfs/dbraw/zinc/37/52/23/971375223.db2.gz AGQONGQOQLBBRZ-HNAYVOBHSA-N -1 0 339.435 3.873 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000327304746 971385128 /nfs/dbraw/zinc/38/51/28/971385128.db2.gz RVMDKSLCEPURCE-UHFFFAOYSA-N -1 0 349.308 3.535 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H]1NC(=O)Nc1ccccc1Oc1ccccc1 ZINC000327469447 971401296 /nfs/dbraw/zinc/40/12/96/971401296.db2.gz FXCLNYATCZPIKO-LSDHHAIUSA-N -1 0 340.379 3.854 20 0 EHADRM CCOc1ccc(OCCN2CC[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000327488977 971403432 /nfs/dbraw/zinc/40/34/32/971403432.db2.gz KYQSXGHVDBTWGS-SFHVURJKSA-N -1 0 341.407 3.543 20 0 EHADRM Cc1ccccc1N(CCC(=O)[O-])C(=O)c1ccc2ncccc2c1 ZINC000327587204 971410172 /nfs/dbraw/zinc/41/01/72/971410172.db2.gz HLXPDBJVUJMUAF-UHFFFAOYSA-N -1 0 334.375 3.665 20 0 EHADRM C/C(=C/C(=O)N[C@H](CC(C)C)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001602736283 971423662 /nfs/dbraw/zinc/42/36/62/971423662.db2.gz OJKQOEQJOHPAGF-RBJHHQRMSA-N -1 0 343.345 3.724 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000013091857 948775902 /nfs/dbraw/zinc/77/59/02/948775902.db2.gz XOADXBYWGRCBED-UHFFFAOYSA-N -1 0 338.190 3.551 20 0 EHADRM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC001589560940 948808140 /nfs/dbraw/zinc/80/81/40/948808140.db2.gz CVHLEKYTOHOBDS-QAPCUYQASA-N -1 0 335.831 3.588 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)NCc1ccccc1C(=O)[O-] ZINC001589562067 948826328 /nfs/dbraw/zinc/82/63/28/948826328.db2.gz OJWPBKXJDLFKIJ-OAHLLOKOSA-N -1 0 325.408 3.578 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)ccc1Cl ZINC000336872774 971515525 /nfs/dbraw/zinc/51/55/25/971515525.db2.gz PMWZVUHKKNTVRV-INIZCTEOSA-N -1 0 331.799 3.984 20 0 EHADRM CC(C)COc1ccccc1[C@H](CC(C)C)NC(=O)CCC(=O)[O-] ZINC000338200078 971516748 /nfs/dbraw/zinc/51/67/48/971516748.db2.gz OTJFSYYXYLXAEL-INIZCTEOSA-N -1 0 335.444 3.790 20 0 EHADRM O=C([O-])c1cccc(NCc2ccccc2OCc2cccnc2)c1 ZINC000340692103 971517888 /nfs/dbraw/zinc/51/78/88/971517888.db2.gz SMIYYWUUMQFVLQ-UHFFFAOYSA-N -1 0 334.375 3.971 20 0 EHADRM Cc1cc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c(Cl)cc1F ZINC000345807438 971519857 /nfs/dbraw/zinc/51/98/57/971519857.db2.gz PNJGSSIFRXWRQY-VQISRLSMSA-N -1 0 339.794 3.645 20 0 EHADRM CCCC[C@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000347260992 971522719 /nfs/dbraw/zinc/52/27/19/971522719.db2.gz MTOMXXGLJNKSJW-ZDUSSCGKSA-N -1 0 332.227 3.686 20 0 EHADRM Cc1ncc(-c2ccc(NC(=O)Cc3cccc(C(=O)[O-])c3)cc2)o1 ZINC000347378282 971525120 /nfs/dbraw/zinc/52/51/20/971525120.db2.gz FHQUAXCEJQQWFU-UHFFFAOYSA-N -1 0 336.347 3.529 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)c1ccc(-c3ccccc3)[nH]1)CC2 ZINC000347404403 971526460 /nfs/dbraw/zinc/52/64/60/971526460.db2.gz WCOTVVMSPAHWSJ-UHFFFAOYSA-N -1 0 346.386 3.578 20 0 EHADRM CCC(=O)Nc1cccc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000349451474 971527402 /nfs/dbraw/zinc/52/74/02/971527402.db2.gz AXSQPFZLWYJSKX-UHFFFAOYSA-N -1 0 340.379 3.602 20 0 EHADRM CCCN(C(=O)c1cc(C(=O)[O-])co1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000352390199 971528681 /nfs/dbraw/zinc/52/86/81/971528681.db2.gz CLLPKKMFDUBNRI-CVEARBPZSA-N -1 0 349.427 3.568 20 0 EHADRM CCCc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000362439067 971534927 /nfs/dbraw/zinc/53/49/27/971534927.db2.gz WCQZIADYERSPGW-KRWDZBQOSA-N -1 0 329.371 3.724 20 0 EHADRM CC[C@H](c1ccccc1)N(C(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1)C(C)C ZINC001589585436 949043830 /nfs/dbraw/zinc/04/38/30/949043830.db2.gz IXDDEMQECGBACM-KZNAEPCWSA-N -1 0 347.455 3.645 20 0 EHADRM Cc1oc(CN(C)C(=O)c2cc(Cl)sc2Cl)cc1C(=O)[O-] ZINC000362752985 971536902 /nfs/dbraw/zinc/53/69/02/971536902.db2.gz PQESTGYNINMKOP-UHFFFAOYSA-N -1 0 348.207 3.927 20 0 EHADRM CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001589586898 949060338 /nfs/dbraw/zinc/06/03/38/949060338.db2.gz ZEYQKKWAUJUPGR-XZVRFQMRSA-N -1 0 343.379 3.609 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)N[C@H](c2ccccc2C)C2CC2)C1 ZINC001589595348 949136176 /nfs/dbraw/zinc/13/61/76/949136176.db2.gz DPDQMRHUGYPQCJ-PXNSSMCTSA-N -1 0 344.455 3.733 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2cccc3c(C)nccc23)C1 ZINC001589597519 949171201 /nfs/dbraw/zinc/17/12/01/949171201.db2.gz FLLQGOVIBGMIJG-IBGZPJMESA-N -1 0 341.411 3.652 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2C[C@H]3CCCC[C@@]32c2ccccc2)C1 ZINC000378526481 971567612 /nfs/dbraw/zinc/56/76/12/971567612.db2.gz OGGKMXYHIIRDRF-LTVCHDBBSA-N -1 0 341.451 3.805 20 0 EHADRM O=C([O-])c1cccc(C(=O)NC2(c3ccc(F)cc3)CCCC2)c1 ZINC001595240229 949442683 /nfs/dbraw/zinc/44/26/83/949442683.db2.gz CBBAJMKLWZDION-UHFFFAOYSA-N -1 0 327.355 3.723 20 0 EHADRM CC[C@@H]1CCc2c(sc(NC(=O)Cc3cccnc3)c2C(=O)[O-])C1 ZINC001589623722 949449760 /nfs/dbraw/zinc/44/97/60/949449760.db2.gz YATZFEBSGNSBRK-LLVKDONJSA-N -1 0 344.436 3.537 20 0 EHADRM CC[C@H]1CCc2c(sc(NC(=O)c3ncoc3C)c2C(=O)[O-])C1 ZINC001589624119 949451737 /nfs/dbraw/zinc/45/17/37/949451737.db2.gz BIVQDWMIZWDDKE-VIFPVBQESA-N -1 0 334.397 3.510 20 0 EHADRM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])nc1 ZINC000190626258 949502431 /nfs/dbraw/zinc/50/24/31/949502431.db2.gz WRGLYBCHHAHMHS-SJLPKXTDSA-N -1 0 338.407 3.578 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000193077204 949516097 /nfs/dbraw/zinc/51/60/97/949516097.db2.gz ZZVLHOHZMVHQGF-HRAATJIYSA-N -1 0 339.435 3.647 20 0 EHADRM C[C@](CNC(=O)c1cccc(-c2ccoc2)c1)(C(=O)[O-])c1ccccc1 ZINC000193088177 949519452 /nfs/dbraw/zinc/51/94/52/949519452.db2.gz PIXSGBIXYVJYPX-OAQYLSRUSA-N -1 0 349.386 3.719 20 0 EHADRM CCC[C@](C)(NC(=O)c1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC001589634872 949601419 /nfs/dbraw/zinc/60/14/19/949601419.db2.gz UEXHPRBWDHBZLQ-FQEVSTJZSA-N -1 0 341.407 3.595 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)c1cc2sccc2nc1Cl ZINC001595255976 949612389 /nfs/dbraw/zinc/61/23/89/949612389.db2.gz KVZHAUUQFNODRW-UHFFFAOYSA-N -1 0 346.795 3.578 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)c2cc(-c3ccc(Cl)cc3)c[nH]2)c1 ZINC001595263786 949720967 /nfs/dbraw/zinc/72/09/67/949720967.db2.gz TVWOMEQHISALMQ-UHFFFAOYSA-N -1 0 341.754 3.681 20 0 EHADRM CCCCc1ccc([C@@H](NC(=O)c2cc(C(=O)[O-])n[nH]2)C(C)C)cc1 ZINC001589655804 949817064 /nfs/dbraw/zinc/81/70/64/949817064.db2.gz LXPALGGRAPRAFG-KRWDZBQOSA-N -1 0 343.427 3.578 20 0 EHADRM CCCN(Cc1ccc(C)cc1)C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC001589674273 949973351 /nfs/dbraw/zinc/97/33/51/949973351.db2.gz JNRSFXAAHLFLOU-KRWDZBQOSA-N -1 0 334.460 3.664 20 0 EHADRM CCCN(Cc1ccc(F)cc1F)C(=O)C1(C(=O)[O-])CCCCC1 ZINC001589674369 949976288 /nfs/dbraw/zinc/97/62/88/949976288.db2.gz QLTBHWHQYXGVJD-UHFFFAOYSA-N -1 0 339.382 3.739 20 0 EHADRM O=C([O-])c1cccc(C(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)c1 ZINC000238130859 949994883 /nfs/dbraw/zinc/99/48/83/949994883.db2.gz OJPQPTNJBBMRKQ-CYBMUJFWSA-N -1 0 341.260 3.557 20 0 EHADRM Cc1cccc(Oc2ncccc2NC(=O)[C@H]2CC[C@H]2C(=O)[O-])c1C ZINC000262215045 950087930 /nfs/dbraw/zinc/08/79/30/950087930.db2.gz UAYPXHRTOSKUCL-UONOGXRCSA-N -1 0 340.379 3.540 20 0 EHADRM CCCc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)sc1C ZINC001589689095 950103462 /nfs/dbraw/zinc/10/34/62/950103462.db2.gz LYNCKTVHTUYFFE-OAHLLOKOSA-N -1 0 335.400 3.704 20 0 EHADRM C[C@H](C(=O)[O-])c1noc(-c2cncc(-c3ccc(Cl)cc3)c2)n1 ZINC001602822297 971634384 /nfs/dbraw/zinc/63/43/84/971634384.db2.gz DRMFJNHUMNVFCX-VIFPVBQESA-N -1 0 329.743 3.640 20 0 EHADRM Cc1cccc(Oc2ccccc2CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])c1 ZINC000262687703 950151976 /nfs/dbraw/zinc/15/19/76/950151976.db2.gz YYXQUYUTOGWLQM-DLBZAZTESA-N -1 0 339.391 3.514 20 0 EHADRM Cc1c(NC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cccc1C(F)(F)F ZINC000263076931 950247071 /nfs/dbraw/zinc/24/70/71/950247071.db2.gz HHJKWHGINMTZKF-ONGXEEELSA-N -1 0 344.333 3.588 20 0 EHADRM CCN(C(=O)Nc1ccc(Oc2ccc(C)cc2)nc1)[C@H](C)C(=O)[O-] ZINC001589705890 950283230 /nfs/dbraw/zinc/28/32/30/950283230.db2.gz CSAMLUGIOQOANA-CYBMUJFWSA-N -1 0 343.383 3.509 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)N[C@H](c2ccccc2)C(C)(C)C)C1 ZINC000263157795 950300241 /nfs/dbraw/zinc/30/02/41/950300241.db2.gz FXDBDVMZGULONR-VNQPRFMTSA-N -1 0 332.444 3.526 20 0 EHADRM O=C([O-])c1cccc(CNc2cccc(C(=O)N3CCCCC3)c2)c1 ZINC000263444597 950468042 /nfs/dbraw/zinc/46/80/42/950468042.db2.gz FNVXANOODNXBKP-UHFFFAOYSA-N -1 0 338.407 3.623 20 0 EHADRM C[C@H]1CCCN(C(=O)CCSc2ccccc2Cl)[C@@H]1C(=O)[O-] ZINC000318655007 950933527 /nfs/dbraw/zinc/93/35/27/950933527.db2.gz GQDQMZFZRKYHQO-NHYWBVRUSA-N -1 0 341.860 3.534 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cc3sccc3c(O)c2)CCCCC1 ZINC001594980124 950981191 /nfs/dbraw/zinc/98/11/91/950981191.db2.gz LJIMFBVYNWVDRI-UHFFFAOYSA-N -1 0 333.409 3.514 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)C(C)(C)c1ccc(F)cc1F)C(=O)[O-] ZINC001602859310 971709325 /nfs/dbraw/zinc/70/93/25/971709325.db2.gz GBBPPYHQCZQEQB-AWEZNQCLSA-N -1 0 341.398 3.638 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1cc(C(F)(F)F)ccc1F)CC(=O)[O-] ZINC000325214255 951083179 /nfs/dbraw/zinc/08/31/79/951083179.db2.gz JTNJPFNSWWYRFZ-JTQLQIEISA-N -1 0 349.324 3.711 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)Nc2cccc(Cl)c2F)Cc2ccccc21 ZINC000325809555 951091974 /nfs/dbraw/zinc/09/19/74/951091974.db2.gz YPYKTWOBZUAQPR-GFCCVEGCSA-N -1 0 348.761 3.695 20 0 EHADRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Nc1ccc2ccccc2c1 ZINC000326505647 951100682 /nfs/dbraw/zinc/10/06/82/951100682.db2.gz QOIZFBZIGZCRDJ-SFHVURJKSA-N -1 0 334.375 3.657 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2cc3c(cccc3F)[nH]2)c1 ZINC000344030692 951131752 /nfs/dbraw/zinc/13/17/52/951131752.db2.gz KLDRFHWQFAFKBU-UHFFFAOYSA-N -1 0 326.327 3.577 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)c1ccc2c(c1)CCCCC2=O)C(=O)[O-] ZINC001602861404 971720309 /nfs/dbraw/zinc/72/03/09/971720309.db2.gz WCBOJGLLVQOQGY-INIZCTEOSA-N -1 0 345.439 3.605 20 0 EHADRM CCOC(=O)c1sc(SCc2cccc(C(=O)[O-])c2)nc1C ZINC001591531706 951157629 /nfs/dbraw/zinc/15/76/29/951157629.db2.gz QCKNNSBPFFZGKS-UHFFFAOYSA-N -1 0 337.422 3.619 20 0 EHADRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)Oc2ccc(-c3ccccc3)cc2)CO1 ZINC001595007857 951225719 /nfs/dbraw/zinc/22/57/19/951225719.db2.gz ZDOULSUHXUTXIC-SJLPKXTDSA-N -1 0 340.375 3.529 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)Nc2cccc(-n3cccc3)c2)C1 ZINC001595016759 951292545 /nfs/dbraw/zinc/29/25/45/951292545.db2.gz VRBCRKRZLCRPBI-OAHLLOKOSA-N -1 0 341.411 3.586 20 0 EHADRM O=C([O-])CCCC(=O)Nc1ncccc1OCc1cccc(Cl)c1 ZINC001595029163 951365434 /nfs/dbraw/zinc/36/54/34/951365434.db2.gz UQIJZLJPRZUDFK-UHFFFAOYSA-N -1 0 348.786 3.507 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1ccc(Oc2ccc(F)cc2)cn1 ZINC001595034832 951395061 /nfs/dbraw/zinc/39/50/61/951395061.db2.gz CLQNNJOQDBGYEK-UHFFFAOYSA-N -1 0 332.331 3.597 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000394110787 951446760 /nfs/dbraw/zinc/44/67/60/951446760.db2.gz KASLKAWHBMPGMQ-UHFFFAOYSA-N -1 0 342.395 3.594 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC000397086838 951519397 /nfs/dbraw/zinc/51/93/97/951519397.db2.gz JBKHNEMSVMBHQF-IHRRRGAJSA-N -1 0 334.416 3.581 20 0 EHADRM O=C([O-])CCc1cccc(NCc2cnc3ccc(Cl)cn23)c1 ZINC001595066657 951554519 /nfs/dbraw/zinc/55/45/19/951554519.db2.gz SQGIWLDKOFXFFB-UHFFFAOYSA-N -1 0 329.787 3.617 20 0 EHADRM O=C([O-])COc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC001595119518 951966776 /nfs/dbraw/zinc/96/67/76/951966776.db2.gz WMUJDOSZEZHGKR-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM O=C([O-])COc1cccc(C(=O)Nc2ccc(C3CCC3)cc2)c1 ZINC001595123406 951985291 /nfs/dbraw/zinc/98/52/91/951985291.db2.gz XFPYATILDGAKOF-UHFFFAOYSA-N -1 0 325.364 3.670 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)[C@@H]1CC2CCC1CC2 ZINC000382256041 971805741 /nfs/dbraw/zinc/80/57/41/971805741.db2.gz XNRXGBCPJQKUFS-NPZBDFSRSA-N -1 0 334.391 3.860 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N(Cc1cc(F)ccc1F)c1ccccc1 ZINC001595178657 952243751 /nfs/dbraw/zinc/24/37/51/952243751.db2.gz XBRNGKQEHHKYGE-HZPDHXFCSA-N -1 0 345.345 3.609 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)O[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC001595180686 952251083 /nfs/dbraw/zinc/25/10/83/952251083.db2.gz QXKFYFIDMVHYRZ-MXWKQRLJSA-N -1 0 336.693 3.597 20 0 EHADRM O=C([O-])[C@H]1CCCN1C(=O)Nc1ccccc1Oc1cccc(F)c1 ZINC001595199939 952308271 /nfs/dbraw/zinc/30/82/71/952308271.db2.gz GFUVRNAYYRLYSK-OAHLLOKOSA-N -1 0 344.342 3.699 20 0 EHADRM O=C([O-])c1c2c(sc1NC(=O)[C@@H]1CCC=CCCC1)COCC2 ZINC001595206834 952333638 /nfs/dbraw/zinc/33/36/38/952333638.db2.gz ODWQDPLVMWKQFY-LLVKDONJSA-N -1 0 335.425 3.594 20 0 EHADRM O=C([O-])c1cc(NC(=O)C2(c3cc(F)cc(F)c3)CCCC2)ccn1 ZINC001595207892 952343479 /nfs/dbraw/zinc/34/34/79/952343479.db2.gz JZUVFPXFASRBQD-UHFFFAOYSA-N -1 0 346.333 3.509 20 0 EHADRM O=C([O-])c1csc(SCc2cccc(Br)c2)n1 ZINC000383059553 971847411 /nfs/dbraw/zinc/84/74/11/971847411.db2.gz CJZVNGPHGQGOBN-UHFFFAOYSA-N -1 0 330.228 3.896 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)CCSc1cccc(Cl)c1 ZINC001602933711 971900181 /nfs/dbraw/zinc/90/01/81/971900181.db2.gz HESJGWKVDMVFMG-UHFFFAOYSA-N -1 0 329.849 3.582 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)[C@H]1CC[C@@H]1c1ccc(Cl)cc1F ZINC001602934083 971901763 /nfs/dbraw/zinc/90/17/63/971901763.db2.gz XGHOSTUVRBCDQI-YPMHNXCESA-N -1 0 341.810 3.732 20 0 EHADRM CC[C@H](NC(=O)NCCCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000414603571 953396070 /nfs/dbraw/zinc/39/60/70/953396070.db2.gz WBVQOGKKDGFUIX-AWEZNQCLSA-N -1 0 326.824 3.735 20 0 EHADRM O=C([O-])CCCCCNC(=O)NC[C@H]1CCC[C@H]1c1ccccc1 ZINC000414607706 953396558 /nfs/dbraw/zinc/39/65/58/953396558.db2.gz IAZQEBWUBBOEHG-SJORKVTESA-N -1 0 332.444 3.515 20 0 EHADRM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N(C)CCCC(=O)[O-] ZINC000417773102 953419242 /nfs/dbraw/zinc/41/92/42/953419242.db2.gz ZXRRQFMBQAUPAH-HNNXBMFYSA-N -1 0 347.459 3.702 20 0 EHADRM CC(C)(CNC(=O)C1(CC(=O)[O-])CCC1)c1ccc(F)cc1Cl ZINC000518985343 953548860 /nfs/dbraw/zinc/54/88/60/953548860.db2.gz ZJESCBCHDLDIJU-UHFFFAOYSA-N -1 0 341.810 3.518 20 0 EHADRM C[C@@H](C(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1ccc2ccccc2c1 ZINC000532694915 953565082 /nfs/dbraw/zinc/56/50/82/953565082.db2.gz HNUNLWPKJIKXNO-CABCVRRESA-N -1 0 325.408 3.657 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)nc1 ZINC000556672882 953584377 /nfs/dbraw/zinc/58/43/77/953584377.db2.gz MSJBSSPPWADCKJ-KRWDZBQOSA-N -1 0 342.370 3.580 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccccc2OC2CCCC2)C[C@@H]1C(=O)[O-] ZINC000563145787 953596095 /nfs/dbraw/zinc/59/60/95/953596095.db2.gz BMISZRQWQJOXOF-ZFWWWQNUSA-N -1 0 346.427 3.583 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccccc2Nc2ccccc2)C[C@H]1C(=O)[O-] ZINC000563144944 953596668 /nfs/dbraw/zinc/59/66/68/953596668.db2.gz YUQNHHOBDJFCJQ-WMLDXEAASA-N -1 0 338.407 3.613 20 0 EHADRM CC(C)c1cc(C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)c2ccccc2n1 ZINC000563145388 953597110 /nfs/dbraw/zinc/59/71/10/953597110.db2.gz WWWPUOGSCFWYHA-XJKSGUPXSA-N -1 0 340.423 3.541 20 0 EHADRM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)o1 ZINC001593637211 953614947 /nfs/dbraw/zinc/61/49/47/953614947.db2.gz NPXMRTHLVDRTQX-KNCOVGOOSA-N -1 0 348.443 3.578 20 0 EHADRM CCc1ccc(C2CCN(C(=O)C3(CC(=O)[O-])CCC3)CC2)cc1 ZINC001593637270 953616348 /nfs/dbraw/zinc/61/63/48/953616348.db2.gz QLAKDEMYAPPOED-UHFFFAOYSA-N -1 0 329.440 3.600 20 0 EHADRM CCc1ccc2c(c1)[C@H](OC(=O)c1cccc(C(=O)[O-])c1)CCO2 ZINC001593640386 953641649 /nfs/dbraw/zinc/64/16/49/953641649.db2.gz ZEWDEPBRORCLKK-QGZVFWFLSA-N -1 0 326.348 3.628 20 0 EHADRM Cc1c(C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)oc2c1c(C)ccc2C ZINC000572121438 953668548 /nfs/dbraw/zinc/66/85/48/953668548.db2.gz WAEJUNPFODMLKQ-HZMBPMFUSA-N -1 0 329.396 3.541 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)C[C@H]1C(=O)[O-] ZINC000573324706 953672644 /nfs/dbraw/zinc/67/26/44/953672644.db2.gz WLNVPNJQPXVRNU-LDYMZIIASA-N -1 0 349.736 3.542 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1ccccc1C(C)(F)F ZINC001589302826 953702106 /nfs/dbraw/zinc/70/21/06/953702106.db2.gz BHWLVNWVOKUDST-GHMZBOCLSA-N -1 0 326.343 3.515 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1CNC(=O)NC1CCC(C(=O)[O-])CC1 ZINC001589310241 953782049 /nfs/dbraw/zinc/78/20/49/953782049.db2.gz FZSKRJOCXVDFEX-PRXYFPRHSA-N -1 0 338.492 3.637 20 0 EHADRM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)C1(C(=O)[O-])CCCCCC1 ZINC001589310539 953788952 /nfs/dbraw/zinc/78/89/52/953788952.db2.gz QXMZFWPFMAFLFS-NWDGAFQWSA-N -1 0 335.366 3.601 20 0 EHADRM CCCCCOc1ccc(C(=O)N2CCCC[C@H]2CC(=O)[O-])cc1 ZINC000621619640 953793721 /nfs/dbraw/zinc/79/37/21/953793721.db2.gz WZXUGBSXCJXRBF-INIZCTEOSA-N -1 0 333.428 3.725 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)C2(c3ccc(F)cc3F)CCCC2)c1 ZINC000623101804 953796777 /nfs/dbraw/zinc/79/67/77/953796777.db2.gz ZZLTUWLSNFTSAD-UHFFFAOYSA-N -1 0 346.333 3.509 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000630098213 953834928 /nfs/dbraw/zinc/83/49/28/953834928.db2.gz PUXRXUVUAMHUDJ-UHFFFAOYSA-N -1 0 339.391 3.724 20 0 EHADRM CC[C@@H](C)Sc1ccc(NC(=O)c2cc(C(=O)[O-])nn2C)c(C)c1 ZINC000630114182 953837270 /nfs/dbraw/zinc/83/72/70/953837270.db2.gz ZSHONPBVAPPMMP-LLVKDONJSA-N -1 0 347.440 3.570 20 0 EHADRM O=C([O-])CCCCC(=O)NC[C@]1(Cc2ccccc2)C=CCCC1 ZINC000630314374 953853024 /nfs/dbraw/zinc/85/30/24/953853024.db2.gz RFGGDPKQNULRSI-HXUWFJFHSA-N -1 0 329.440 3.717 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000635520157 953891847 /nfs/dbraw/zinc/89/18/47/953891847.db2.gz DLSXILHMFZCHCC-QZTJIDSGSA-N -1 0 344.455 3.609 20 0 EHADRM C[C@H]1CCCN(C(=O)Cc2ccc(-c3ccccc3)cc2)[C@H]1C(=O)[O-] ZINC001589325955 953909876 /nfs/dbraw/zinc/90/98/76/953909876.db2.gz WJQHSQFMWNNTBZ-MGPUTAFESA-N -1 0 337.419 3.608 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)NCCC(C)(C)C(=O)[O-] ZINC000644169452 953912239 /nfs/dbraw/zinc/91/22/39/953912239.db2.gz RUHVAVLXHGHXCA-UHFFFAOYSA-N -1 0 336.432 3.615 20 0 EHADRM CC[C@H](NC(=O)N1CCC(C)(C(=O)[O-])CC1)C(C)(C)c1ccccc1 ZINC000646150462 953929352 /nfs/dbraw/zinc/92/93/52/953929352.db2.gz AZQOEOVHIUJILU-INIZCTEOSA-N -1 0 346.471 3.639 20 0 EHADRM Cc1csc(-c2ccc(NC(=O)NC3(CC(=O)[O-])CCC3)cc2)n1 ZINC000649539410 954001499 /nfs/dbraw/zinc/00/14/99/954001499.db2.gz UEVJYLTWIJBFAW-UHFFFAOYSA-N -1 0 345.424 3.637 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1nc(-c2ccccc2OC)cs1 ZINC000650290467 954010748 /nfs/dbraw/zinc/01/07/48/954010748.db2.gz OZAIRYZLMULLEL-UHFFFAOYSA-N -1 0 348.424 3.648 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1ccc2cccc(Cl)c2n1)C1CCCC1 ZINC001594836800 954032091 /nfs/dbraw/zinc/03/20/91/954032091.db2.gz BDUAMFCWZUDFAC-AWEZNQCLSA-N -1 0 332.787 3.718 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc3cc(C(C)(C)C)ccc3[nH]2)C[C@H]1C(=O)[O-] ZINC001589348290 954067118 /nfs/dbraw/zinc/06/71/18/954067118.db2.gz RNWQLYKQBBVWAN-SWLSCSKDSA-N -1 0 342.439 3.648 20 0 EHADRM CN(Cc1csc2ccccc12)C(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC000653281607 954093830 /nfs/dbraw/zinc/09/38/30/954093830.db2.gz RGANKCZULYLCMY-SFHVURJKSA-N -1 0 329.421 3.671 20 0 EHADRM O=C(CCSc1ccccc1)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653333087 954164017 /nfs/dbraw/zinc/16/40/17/954164017.db2.gz KVUISNRFOZXLDH-IAGOWNOFSA-N -1 0 341.432 3.598 20 0 EHADRM CC(C)[C@@H](CNC(=O)Nc1ccccc1N1CCCCCC1)C(=O)[O-] ZINC000653535413 954182577 /nfs/dbraw/zinc/18/25/77/954182577.db2.gz QVVHCJNUNRVIJM-OAHLLOKOSA-N -1 0 347.459 3.545 20 0 EHADRM CC(C)[C@@H](CNC(=O)Nc1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000653540871 954189995 /nfs/dbraw/zinc/18/99/95/954189995.db2.gz XFNCAZJNNUWKKQ-CYBMUJFWSA-N -1 0 346.349 3.660 20 0 EHADRM O=C([O-])CCCCC(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000655552921 954199861 /nfs/dbraw/zinc/19/98/61/954199861.db2.gz XBPKDCDILGIFRU-UHFFFAOYSA-N -1 0 345.439 3.538 20 0 EHADRM C[C@@H](NC(=O)[C@H](C)CSc1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655580308 954220464 /nfs/dbraw/zinc/22/04/64/954220464.db2.gz KZJSNGXXOOZTGP-LUYZLQTOSA-N -1 0 349.496 3.666 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc(Oc2ccccc2)cc1)C1CCC1 ZINC000655597421 954233400 /nfs/dbraw/zinc/23/34/00/954233400.db2.gz WBKFGAKONQTAMS-UHFFFAOYSA-N -1 0 325.364 3.558 20 0 EHADRM CC(C)[C@H](CNC(=O)N1CCC[C@@H]1c1ccccc1Cl)C(=O)[O-] ZINC000655890610 954270546 /nfs/dbraw/zinc/27/05/46/954270546.db2.gz NKHWOZNHKYMQDC-DZGCQCFKSA-N -1 0 338.835 3.543 20 0 EHADRM CN(CC1CCCCC1)C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001593726805 954282362 /nfs/dbraw/zinc/28/23/62/954282362.db2.gz ZCORASSQAQPJSC-IAGOWNOFSA-N -1 0 330.428 3.521 20 0 EHADRM CC(C)C1(C)CCN(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1 ZINC000655901801 954283396 /nfs/dbraw/zinc/28/33/96/954283396.db2.gz HDTSRQXNSHFLBB-QLFBSQMISA-N -1 0 338.492 3.590 20 0 EHADRM C[C@@H](NC(=O)N([C@H](C)c1ccco1)C1CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655903411 954285418 /nfs/dbraw/zinc/28/54/18/954285418.db2.gz AURRXDWLLHZAKO-RJZRQDKASA-N -1 0 348.443 3.650 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(COC)c(C(F)(F)F)c1 ZINC000656851542 954308094 /nfs/dbraw/zinc/30/80/94/954308094.db2.gz NEJFYAFDEKXUEH-UHFFFAOYSA-N -1 0 347.333 3.681 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cc(-n3cccc3)ccc2F)CCCCC1 ZINC001594869253 954333788 /nfs/dbraw/zinc/33/37/88/954333788.db2.gz LBUYSXIKKQQLSN-UHFFFAOYSA-N -1 0 330.359 3.590 20 0 EHADRM CC(C)C(CNC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)C(C)C ZINC001602983357 972005577 /nfs/dbraw/zinc/00/55/77/972005577.db2.gz NRQJDYOEFQLOGM-DOTOQJQBSA-N -1 0 332.444 3.527 20 0 EHADRM O=C([O-])C1(C(=O)Nc2nc(/C=C/c3ccccc3)cs2)CC=CC1 ZINC001594871844 954362530 /nfs/dbraw/zinc/36/25/30/954362530.db2.gz JHCRQUZUPRWGQU-CMDGGOBGSA-N -1 0 340.404 3.673 20 0 EHADRM CCN(C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1)[C@@H](C)C(=O)[O-] ZINC000659770606 954367518 /nfs/dbraw/zinc/36/75/18/954367518.db2.gz FYHPLFZETVCBGW-QWRGUYRKSA-N -1 0 331.334 3.521 20 0 EHADRM O=C([O-])C1(C(=O)O[C@H]2CCOc3c(F)cccc32)CCCCCC1 ZINC001594879090 954400968 /nfs/dbraw/zinc/40/09/68/954400968.db2.gz PXWIKVUJPFUNQS-AWEZNQCLSA-N -1 0 336.359 3.618 20 0 EHADRM O=C([O-])C1(C(=O)OCc2csc3ccccc23)CCSCC1 ZINC001594879336 954406054 /nfs/dbraw/zinc/40/60/54/954406054.db2.gz WOXGNMTXHCCVTR-UHFFFAOYSA-N -1 0 336.434 3.543 20 0 EHADRM O=C([O-])C1(C(=O)NCCCCOCc2ccccc2)CCCCCC1 ZINC000663066594 954439371 /nfs/dbraw/zinc/43/93/71/954439371.db2.gz KVICIEBNRWCLMA-UHFFFAOYSA-N -1 0 347.455 3.525 20 0 EHADRM Cc1cc(Br)c(Cl)cc1NC(=O)[C@H](C(=O)[O-])C(C)C ZINC000663127570 954518241 /nfs/dbraw/zinc/51/82/41/954518241.db2.gz OINQYYMSMSLILH-LLVKDONJSA-N -1 0 348.624 3.706 20 0 EHADRM CC(C)[C@@H](NC(=O)c1coc(/C=C/C(=O)[O-])c1)c1ccc(F)cc1 ZINC001602992453 972022324 /nfs/dbraw/zinc/02/23/24/972022324.db2.gz GCEIPDXZQHQIOV-IWAYRVGRSA-N -1 0 331.343 3.644 20 0 EHADRM CCCN(Cc1ccc(F)cc1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000666566528 954561576 /nfs/dbraw/zinc/56/15/76/954561576.db2.gz QWPIQQUWFHCPKF-UHFFFAOYSA-N -1 0 344.386 3.646 20 0 EHADRM CCN(c1ccc(C(=O)NCc2cccc(C(=O)[O-])c2)cc1)C(C)C ZINC000678931919 954587725 /nfs/dbraw/zinc/58/77/25/954587725.db2.gz HIERFPXBJUKHQF-UHFFFAOYSA-N -1 0 340.423 3.550 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)c2ccc3sccc3c2)c1 ZINC000386266742 972041006 /nfs/dbraw/zinc/04/10/06/972041006.db2.gz XTLDVXOAXNSMFH-UHFFFAOYSA-N -1 0 325.389 3.572 20 0 EHADRM C[C@@H](CCC(C)(C)C)NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000386322028 972045417 /nfs/dbraw/zinc/04/54/17/972045417.db2.gz YJHJNIVMBLADAA-JTQLQIEISA-N -1 0 347.864 3.531 20 0 EHADRM CC(C)[C@H]1N(C(=O)NCC2(C(=O)[O-])CCC2)CC12CCCCCC2 ZINC001603002723 972048726 /nfs/dbraw/zinc/04/87/26/972048726.db2.gz GZVPNGWTQSLRSA-OAHLLOKOSA-N -1 0 336.476 3.632 20 0 EHADRM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC001589462442 954862210 /nfs/dbraw/zinc/86/22/10/954862210.db2.gz FCARPQVPASRFKQ-BBRMVZONSA-N -1 0 335.444 3.535 20 0 EHADRM CC[C@H](C)Oc1ccccc1/C=C/C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001589463674 954878636 /nfs/dbraw/zinc/87/86/36/954878636.db2.gz ITSXNJLGUJIJHD-XEHSLEBBSA-N -1 0 340.379 3.609 20 0 EHADRM CC[C@H](CC(=O)N(CC(=O)[O-])CC(C)(C)C)c1ccc(OC)cc1 ZINC001589464153 954883407 /nfs/dbraw/zinc/88/34/07/954883407.db2.gz NYROMJSVJWLKFD-CQSZACIVSA-N -1 0 335.444 3.538 20 0 EHADRM CC[C@@H](C)Oc1ccccc1/C=C/C(=O)N1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC001589464433 954888840 /nfs/dbraw/zinc/88/88/40/954888840.db2.gz PTZDFSFRMSNMRM-HDYLRELMSA-N -1 0 345.439 3.731 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)N[C@H](C(=O)[O-])c2cccc(C)c2)cc1 ZINC001589464821 954893156 /nfs/dbraw/zinc/89/31/56/954893156.db2.gz SGEFSRPLERXKJU-KDOFPFPSSA-N -1 0 341.407 3.728 20 0 EHADRM CC[C@@H](C)Oc1cccc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])n1 ZINC001589464787 954893340 /nfs/dbraw/zinc/89/33/40/954893340.db2.gz RMQXYKSMHJPLFG-KGLIPLIRSA-N -1 0 349.431 3.510 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC001589471138 954925027 /nfs/dbraw/zinc/92/50/27/954925027.db2.gz CJNJHUMIGABJCL-HNNXBMFYSA-N -1 0 343.427 3.508 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1nc2c(cc(Cl)cc2Cl)[nH]1 ZINC001589481181 954975531 /nfs/dbraw/zinc/97/55/31/954975531.db2.gz NIBVJGZXZVOIIO-UHFFFAOYSA-N -1 0 344.198 3.699 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N1CCC(C)(CC(C)C)CC1)C(=O)[O-] ZINC001603009009 972059545 /nfs/dbraw/zinc/05/95/45/972059545.db2.gz OIGXLDMAXQXIHL-HNNXBMFYSA-N -1 0 326.481 3.591 20 0 EHADRM CCC(CC)(CNC(=O)N(C)[C@@H]1CCC[C@@H]1C(C)(C)C)C(=O)[O-] ZINC001589489130 955004935 /nfs/dbraw/zinc/00/49/35/955004935.db2.gz CFMTXGZEJGTNRD-UONOGXRCSA-N -1 0 326.481 3.734 20 0 EHADRM CCC(CC)N(C(=O)c1cc(C(=O)[O-])nn1C)c1ccc(C)c(C)c1 ZINC001589509010 955041016 /nfs/dbraw/zinc/04/10/16/955041016.db2.gz BVJXJWYFJWOZNA-UHFFFAOYSA-N -1 0 343.427 3.571 20 0 EHADRM Cc1cc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)sc1C(=O)[O-] ZINC000386565544 972064785 /nfs/dbraw/zinc/06/47/85/972064785.db2.gz OUJQWAYSMJLEAU-SECBINFHSA-N -1 0 339.800 3.814 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N[C@H](c1ccccc1)C1CCC1)C(=O)[O-] ZINC001603012505 972067328 /nfs/dbraw/zinc/06/73/28/972067328.db2.gz SKDUTLFJVHZTGG-DLBZAZTESA-N -1 0 332.444 3.574 20 0 EHADRM CC(C)C[C@@]1(C)CCCN1C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001603018418 972077721 /nfs/dbraw/zinc/07/77/21/972077721.db2.gz NYTGZAHJSJZZPG-WOJBJXKFSA-N -1 0 346.471 3.639 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl ZINC000766945246 955316399 /nfs/dbraw/zinc/31/63/99/955316399.db2.gz PUFVRKVVNNVLQH-UTCJRWHESA-N -1 0 349.736 3.694 20 0 EHADRM Cc1cc(C(=O)[O-])c(NC(=O)c2cccc(OC(F)F)c2)s1 ZINC000387092227 972103160 /nfs/dbraw/zinc/10/31/60/972103160.db2.gz RWNLSNMBQJMBOV-UHFFFAOYSA-N -1 0 327.308 3.608 20 0 EHADRM CC(C)c1ccc(C[C@@H](C)NC(=O)NCCC(C)(C)C(=O)[O-])cc1 ZINC001589079887 955844824 /nfs/dbraw/zinc/84/48/24/955844824.db2.gz ZIMQEMWGRWMQAY-CQSZACIVSA-N -1 0 334.460 3.541 20 0 EHADRM C[C@]1(c2ccccc2)CCCN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)C1 ZINC000864110507 955938868 /nfs/dbraw/zinc/93/88/68/955938868.db2.gz SLWARFMNENGBKV-BQYDLMEBSA-N -1 0 339.391 3.571 20 0 EHADRM CC(C)C[C@@H](CNC(=O)/C=C/c1csc(C(F)(F)F)c1)C(=O)[O-] ZINC000864122997 955950187 /nfs/dbraw/zinc/95/01/87/955950187.db2.gz ZKGBSRDWMDJQCJ-UFFNRZRYSA-N -1 0 349.374 3.643 20 0 EHADRM C[C@](Cc1ccccc1)(NC(=O)/C=C/c1ccc(C(=O)[O-])o1)C1CC1 ZINC000864153199 955969709 /nfs/dbraw/zinc/96/97/09/955969709.db2.gz AUKWUIFZQBDQPN-ZAHGZRRWSA-N -1 0 339.391 3.519 20 0 EHADRM Cc1cc([C@H](NC(=O)/C=C\c2ccc(C(=O)[O-])o2)C2CC2)ccc1F ZINC000864153054 955970393 /nfs/dbraw/zinc/97/03/93/955970393.db2.gz WSQLTODHIQQALD-OTIVFRFGSA-N -1 0 343.354 3.706 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC000872717957 956061711 /nfs/dbraw/zinc/06/17/11/956061711.db2.gz CHMCVAPKPCWEEH-CQSZACIVSA-N -1 0 333.428 3.581 20 0 EHADRM CC(C)Oc1ccc(NC(=O)C2(CC(=O)[O-])CCC2)c(Cl)c1 ZINC001603081811 972157433 /nfs/dbraw/zinc/15/74/33/972157433.db2.gz UDZKERCSDXOWBL-UHFFFAOYSA-N -1 0 325.792 3.711 20 0 EHADRM CN(Cc1cscc1Br)Cc1ccc(C(=O)[O-])cc1 ZINC000388190762 972159225 /nfs/dbraw/zinc/15/92/25/972159225.db2.gz ZZZXYYCETDBBIW-UHFFFAOYSA-N -1 0 340.242 3.841 20 0 EHADRM C[C@@H](NC(=O)CCCC(=O)[O-])c1cccc(SC(F)(F)F)c1 ZINC000887322208 956250930 /nfs/dbraw/zinc/25/09/30/956250930.db2.gz JHBJEOCVBJYRFS-SECBINFHSA-N -1 0 335.347 3.731 20 0 EHADRM CCCOc1ccc(NC(=O)N2CCC[C@H]2C(=O)[O-])cc1C(C)C ZINC000887382948 956254506 /nfs/dbraw/zinc/25/45/06/956254506.db2.gz XEOSHAWQRQCIHQ-HNNXBMFYSA-N -1 0 334.416 3.680 20 0 EHADRM Cc1cc2scc(CC(=O)NC3CCC(C(=O)[O-])CC3)c2s1 ZINC000901481891 956322450 /nfs/dbraw/zinc/32/24/50/956322450.db2.gz GQURTTBKTYFKAI-UHFFFAOYSA-N -1 0 337.466 3.573 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)Nc1ccnc(C(=O)[O-])c1)CC2 ZINC001603107190 972184595 /nfs/dbraw/zinc/18/45/95/972184595.db2.gz YYUUJIPZBCLIQZ-MRXNPFEDSA-N -1 0 339.395 3.712 20 0 EHADRM C[C@@H](SCC(=O)N[C@@H](c1ccccc1)C1CCCCC1)C(=O)[O-] ZINC001589169804 956465228 /nfs/dbraw/zinc/46/52/28/956465228.db2.gz OFEPHZPEICMQOV-DYVFJYSZSA-N -1 0 335.469 3.631 20 0 EHADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000901788814 956469464 /nfs/dbraw/zinc/46/94/64/956469464.db2.gz WENDSCAOQANMAG-YJYMSZOUSA-N -1 0 331.412 3.585 20 0 EHADRM C[C@H](Sc1ccc(F)cc1)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001589173299 956476953 /nfs/dbraw/zinc/47/69/53/956476953.db2.gz WAQFWKZOBYFJBM-LBPRGKRZSA-N -1 0 339.432 3.600 20 0 EHADRM CC(C)Oc1cccc([C@H](C)NC(=O)c2coc(/C=C\C(=O)[O-])c2)c1 ZINC000901834493 956495886 /nfs/dbraw/zinc/49/58/86/956495886.db2.gz XJSRHEAXWGECPJ-WSROAFLRSA-N -1 0 343.379 3.656 20 0 EHADRM Cc1ccccc1[C@@H]1CCCN1C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC000901980186 956585890 /nfs/dbraw/zinc/58/58/90/956585890.db2.gz SBAMBKCDFAJRMA-JJEJIETFSA-N -1 0 325.364 3.663 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)CC2(CSc3ccccc3)CC2)CC1 ZINC001589190094 956589603 /nfs/dbraw/zinc/58/96/03/956589603.db2.gz GFCGVJDXRCJDPT-UHFFFAOYSA-N -1 0 347.480 3.662 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)N[C@@H]2CCC[C@@H](c3ccccc3)CC2)C1 ZINC001589191769 956598882 /nfs/dbraw/zinc/59/88/82/956598882.db2.gz ZEJOWFNZVSVEAM-HLIPFELVSA-N -1 0 344.455 3.609 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)NC[C@@H]2CCC[C@@H]2c2ccccc2)o1 ZINC001594669632 956607618 /nfs/dbraw/zinc/60/76/18/956607618.db2.gz FBMBUDLJQBQDPE-PIFBBDKHSA-N -1 0 339.391 3.691 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N[C@H](c2ccc(F)cc2F)C2CC2)o1 ZINC001594670207 956612265 /nfs/dbraw/zinc/61/22/65/956612265.db2.gz OFEKFFSPICOQGG-JZLODUJNSA-N -1 0 347.317 3.537 20 0 EHADRM C[C@]1(Cc2ccccc2)CCCN1C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC000902033588 956623855 /nfs/dbraw/zinc/62/38/55/956623855.db2.gz GADWMLTWKUPPJQ-NDDJGDGRSA-N -1 0 339.391 3.615 20 0 EHADRM CC1(C)C[C@@H](C(=O)NC2(CC(=O)[O-])CCCCC2)c2ccccc2O1 ZINC001589214474 956725866 /nfs/dbraw/zinc/72/58/66/956725866.db2.gz VSBGMRMFACNUFV-OAHLLOKOSA-N -1 0 345.439 3.625 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)OCc1nc(C2CCCCC2)cs1 ZINC001589220531 956770891 /nfs/dbraw/zinc/77/08/91/956770891.db2.gz ZKNKKJNEUMZLSL-QGZVFWFLSA-N -1 0 337.441 3.735 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)Nc1nc2c(s1)CCCCCC2 ZINC001594710223 956876496 /nfs/dbraw/zinc/87/64/96/956876496.db2.gz NMDSJJDYTZVTQV-UHFFFAOYSA-N -1 0 344.436 3.682 20 0 EHADRM COc1ccc(OCc2ccccc2C(=O)[O-])c(Br)c1 ZINC000011948792 956899883 /nfs/dbraw/zinc/89/98/83/956899883.db2.gz HUWAFPBOCMBJIR-UHFFFAOYSA-N -1 0 337.169 3.735 20 0 EHADRM CCn1c(C)cc(C(=O)CSCc2ccc(C(=O)[O-])cc2)c1C ZINC000013062256 956922195 /nfs/dbraw/zinc/92/21/95/956922195.db2.gz BYIDRATVWYPLMT-UHFFFAOYSA-N -1 0 331.437 3.939 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cccc2c1CCCCC2)c1ccc(F)cc1 ZINC001594716270 956930864 /nfs/dbraw/zinc/93/08/64/956930864.db2.gz PNQGYKSDPDZFOX-SFHVURJKSA-N -1 0 341.382 3.650 20 0 EHADRM Cc1cccc(O[C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2Cl)c1 ZINC000013167905 956948944 /nfs/dbraw/zinc/94/89/44/956948944.db2.gz FODOQBVPTYCYQW-LLVKDONJSA-N -1 0 333.771 3.753 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(F)cc2Cl)cc1 ZINC000013179376 956962511 /nfs/dbraw/zinc/96/25/11/956962511.db2.gz VOSCMKDFYXIJOY-OAHLLOKOSA-N -1 0 335.762 3.733 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)CSc1ccc(F)cc1 ZINC000013187669 956972922 /nfs/dbraw/zinc/97/29/22/956972922.db2.gz LJFPIRVTWODUGQ-UHFFFAOYSA-N -1 0 339.775 3.908 20 0 EHADRM CC1(c2ccccc2)CC(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])C1 ZINC001589253652 956976460 /nfs/dbraw/zinc/97/64/60/956976460.db2.gz XXVOAQGRXBSINK-GNZRSQJKSA-N -1 0 344.455 3.536 20 0 EHADRM CC/C(=C\C(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccc(OC)cc1 ZINC000909476527 957019020 /nfs/dbraw/zinc/01/90/20/957019020.db2.gz FDOTYXYXJVHCAQ-WTNDLDAUSA-N -1 0 345.439 3.592 20 0 EHADRM O=C([O-])c1ccc(OCc2cccc(Cl)c2F)c([N+](=O)[O-])c1 ZINC000389631520 972235844 /nfs/dbraw/zinc/23/58/44/972235844.db2.gz HXUQTSZMSYTMJO-UHFFFAOYSA-N -1 0 325.679 3.665 20 0 EHADRM C[C@H](c1ccc(C(=O)NCCC(C)(C)C(=O)[O-])cc1)C(F)(F)F ZINC000909750723 957036384 /nfs/dbraw/zinc/03/63/84/957036384.db2.gz FHIWWPAEAIHYTF-SNVBAGLBSA-N -1 0 331.334 3.583 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](NC(=O)Cc2cccc(C(F)F)c2)c2ccccc21 ZINC000910473406 957046541 /nfs/dbraw/zinc/04/65/41/957046541.db2.gz LFQWPUPPCNRZCX-CVEARBPZSA-N -1 0 345.345 3.596 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000911135083 957055066 /nfs/dbraw/zinc/05/50/66/957055066.db2.gz GOQVTXUQEOKJSW-UHFFFAOYSA-N -1 0 333.384 3.702 20 0 EHADRM CN(C(=O)COc1cccc2ccccc21)c1ccccc1C(=O)[O-] ZINC000013440510 957077532 /nfs/dbraw/zinc/07/75/32/957077532.db2.gz XSJYUNKXVUVNSF-UHFFFAOYSA-N -1 0 335.359 3.580 20 0 EHADRM Cc1ccc2c(CC(=O)N3CCc4cc(C(=O)[O-])ccc43)coc2c1C ZINC000013447674 957086702 /nfs/dbraw/zinc/08/67/02/957086702.db2.gz ZUJOJVLRSKYWCZ-UHFFFAOYSA-N -1 0 349.386 3.880 20 0 EHADRM O=C([O-])c1cc(NC(=O)NC[C@@H]2CCCCC2(F)F)ccc1Cl ZINC000389690810 972240826 /nfs/dbraw/zinc/24/08/26/972240826.db2.gz JKXUXBRMUGINHZ-VIFPVBQESA-N -1 0 346.761 3.985 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(-c2ccccc2)s1 ZINC001118114370 957157753 /nfs/dbraw/zinc/15/77/53/957157753.db2.gz CEKXRTWKPFULPC-OCCSQVGLSA-N -1 0 329.421 3.740 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)C(C)(C)c1ccc(Cl)c(Cl)c1 ZINC001319406447 957303373 /nfs/dbraw/zinc/30/33/73/957303373.db2.gz IMRDVSNLTOSKQK-UHFFFAOYSA-N -1 0 332.227 3.594 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000062872616 957616412 /nfs/dbraw/zinc/61/64/12/957616412.db2.gz OGTWOZODFZFLLW-AWEZNQCLSA-N -1 0 331.199 3.712 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000062873379 957617231 /nfs/dbraw/zinc/61/72/31/957617231.db2.gz OBLPXMNIOPHBRM-CQSZACIVSA-N -1 0 331.199 3.712 20 0 EHADRM CC(C)(C)c1ccccc1OCC(=O)Oc1cccc(C(=O)[O-])c1 ZINC000066144397 957643035 /nfs/dbraw/zinc/64/30/35/957643035.db2.gz ZUORCHUNQFDENZ-UHFFFAOYSA-N -1 0 328.364 3.667 20 0 EHADRM O=C([O-])c1ccoc1COc1cc(Br)ccc1Cl ZINC000070543488 957685163 /nfs/dbraw/zinc/68/51/63/957685163.db2.gz QAGYDFAJFQQWQW-UHFFFAOYSA-N -1 0 331.549 3.973 20 0 EHADRM COCc1csc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)c1 ZINC001594029786 957752714 /nfs/dbraw/zinc/75/27/14/957752714.db2.gz OCWCKMXVIWAPQL-UHFFFAOYSA-N -1 0 343.763 3.638 20 0 EHADRM COc1ccc(Cl)cc1CC(=O)Nc1cccc(C(=O)[O-])c1C ZINC000390540739 972292481 /nfs/dbraw/zinc/29/24/81/972292481.db2.gz HHSFKLNEXFASJT-UHFFFAOYSA-N -1 0 333.771 3.536 20 0 EHADRM Cc1c[nH]c(-c2ccccc2NC(=O)c2cc(C)cc(C(=O)[O-])c2)n1 ZINC001594288768 957802362 /nfs/dbraw/zinc/80/23/62/957802362.db2.gz IDCFALONRVRRJV-UHFFFAOYSA-N -1 0 335.363 3.644 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CC3(CCCC3)[C@H]2c2ccco2)cc1 ZINC001574791114 957810563 /nfs/dbraw/zinc/81/05/63/957810563.db2.gz JOXFEIQVSPPITR-MRXNPFEDSA-N -1 0 325.364 3.735 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)cc1 ZINC001574796509 957822600 /nfs/dbraw/zinc/82/26/00/957822600.db2.gz QHDSXXHZUFLGLM-UHFFFAOYSA-N -1 0 349.390 3.713 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)c1cc(Cl)nc2ccccc21 ZINC000390670973 972297855 /nfs/dbraw/zinc/29/78/55/972297855.db2.gz PZWQBNGVMAMEIQ-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC001574810664 957875142 /nfs/dbraw/zinc/87/51/42/957875142.db2.gz KREBJRGVRQQVGO-MRXNPFEDSA-N -1 0 329.783 3.554 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)C1 ZINC001339812930 957882088 /nfs/dbraw/zinc/88/20/88/957882088.db2.gz OLTKXGVDHVDHTN-KBAYOESNSA-N -1 0 344.455 3.609 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)N(CC2CC2)CC2CCC2)c2ccccc21 ZINC001340586594 957943977 /nfs/dbraw/zinc/94/39/77/957943977.db2.gz YCNXDNYMQSLREH-ZWKOTPCHSA-N -1 0 342.439 3.521 20 0 EHADRM CCN(Cc1ccc(C)cc1)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001341328039 957970278 /nfs/dbraw/zinc/97/02/78/957970278.db2.gz SOBXLYVHJCUJEA-HYVNUMGLSA-N -1 0 346.471 3.662 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)s1 ZINC001341354084 957982425 /nfs/dbraw/zinc/98/24/25/957982425.db2.gz PSDKPRSYEWPUJQ-TUKIKUTGSA-N -1 0 344.436 3.730 20 0 EHADRM Cc1c(C(=O)N2CCCC[C@H]2CC(=O)[O-])sc2cccc(F)c12 ZINC000391020921 972312524 /nfs/dbraw/zinc/31/25/24/972312524.db2.gz PMUAXNYUYSSYHC-NSHDSACASA-N -1 0 335.400 3.818 20 0 EHADRM C[C@](CNc1ncnc2cc(Cl)ccc21)(C(=O)[O-])c1ccccc1 ZINC001603201710 972310133 /nfs/dbraw/zinc/31/01/33/972310133.db2.gz HPMKGDKWPYZXOV-GOSISDBHSA-N -1 0 341.798 3.738 20 0 EHADRM Cc1cc(F)ccc1C1CCN(C(=O)[C@]2(C(=O)[O-])CC=CCC2)CC1 ZINC001594311663 958032708 /nfs/dbraw/zinc/03/27/08/958032708.db2.gz XMHLSQODRUOHDR-FQEVSTJZSA-N -1 0 345.414 3.651 20 0 EHADRM COc1cc(Cl)c(C)cc1NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001594058726 958068187 /nfs/dbraw/zinc/06/81/87/958068187.db2.gz LEZZGNBLORSTOZ-XQRVVYSFSA-N -1 0 335.743 3.600 20 0 EHADRM COc1cc(Cl)cc(C(=O)N2CCCc3cc(C(=O)[O-])ccc32)c1 ZINC001594058759 958068376 /nfs/dbraw/zinc/06/83/76/958068376.db2.gz FSNMDQWWJOOVKX-UHFFFAOYSA-N -1 0 345.782 3.640 20 0 EHADRM COc1cc(F)c(C(=O)Nc2ccc(C(=O)[O-])cc2F)c(Cl)c1 ZINC001594060506 958087637 /nfs/dbraw/zinc/08/76/37/958087637.db2.gz IHUFIAALXWHFOU-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM Cc1cc(NC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)ccc1C(F)(F)F ZINC001594318159 958094864 /nfs/dbraw/zinc/09/48/64/958094864.db2.gz JNRBKHRTLUFZFP-GHMZBOCLSA-N -1 0 344.333 3.731 20 0 EHADRM CC(C)(C)[C@@H]1CCN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C1 ZINC000391166270 972321492 /nfs/dbraw/zinc/32/14/92/972321492.db2.gz DHTMRVJVRFCDFE-SECBINFHSA-N -1 0 326.343 3.563 20 0 EHADRM Cc1cc(NC(=O)Nc2ccn(-c3ccccc3)n2)ccc1C(=O)[O-] ZINC001594323679 958144256 /nfs/dbraw/zinc/14/42/56/958144256.db2.gz TUSNOXCGIYNWMV-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM O=C([O-])c1cc(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)ccn1 ZINC000391420856 972335006 /nfs/dbraw/zinc/33/50/06/972335006.db2.gz WTHYVXBXDVUXLH-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM Cc1ccc(C)c(NC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1 ZINC001594352018 958370915 /nfs/dbraw/zinc/37/09/15/958370915.db2.gz RCMVKCQGHVZZJE-DLBZAZTESA-N -1 0 338.407 3.636 20 0 EHADRM O=C([O-])c1cccc(-c2nnc(-c3ccc(Br)cc3)o2)c1 ZINC000109606579 958378585 /nfs/dbraw/zinc/37/85/85/958378585.db2.gz XGKNMIWPKIJBMW-UHFFFAOYSA-N -1 0 345.152 3.864 20 0 EHADRM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Nc2cccnc2C(=O)[O-])o1 ZINC001594355063 958406490 /nfs/dbraw/zinc/40/64/90/958406490.db2.gz ZRCCUZXNIDWILN-SMDDNHRTSA-N -1 0 343.383 3.686 20 0 EHADRM COc1ccc(N(C(=O)c2coc(/C=C/C(=O)[O-])c2)C(C)C)cc1F ZINC001594099630 958427690 /nfs/dbraw/zinc/42/76/90/958427690.db2.gz SHGQIUDEGQNOCE-FNORWQNLSA-N -1 0 347.342 3.580 20 0 EHADRM COc1ccc(NC(=O)[C@H](C(=O)[O-])C(C)C)cc1Cc1ccccc1 ZINC001594101809 958444909 /nfs/dbraw/zinc/44/49/09/958444909.db2.gz TYNLILZEHQZTCO-GOSISDBHSA-N -1 0 341.407 3.581 20 0 EHADRM COc1ccc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)c2ncccc12 ZINC001594104123 958454565 /nfs/dbraw/zinc/45/45/65/958454565.db2.gz QCHTZFNQNCKRAS-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM CC[C@@H](Oc1ccccc1F)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000120226603 958469765 /nfs/dbraw/zinc/46/97/65/958469765.db2.gz ZDOWOPQYXKMIRR-OAHLLOKOSA-N -1 0 331.343 3.628 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000120247602 958470534 /nfs/dbraw/zinc/47/05/34/958470534.db2.gz XCVGWTWRPMJVGB-UONOGXRCSA-N -1 0 331.318 3.714 20 0 EHADRM O=C([O-])CCCC(=O)Nc1ccc(Br)c2ccccc12 ZINC000122954077 958490870 /nfs/dbraw/zinc/49/08/70/958490870.db2.gz UANWSKIGBIBETB-UHFFFAOYSA-N -1 0 336.185 3.796 20 0 EHADRM COc1ccc([C@@H](C)NC(=O)C2(C(=O)[O-])CCCCCC2)cc1C ZINC001594111928 958517092 /nfs/dbraw/zinc/51/70/92/958517092.db2.gz JZIWSGNBUJPYDG-CQSZACIVSA-N -1 0 333.428 3.606 20 0 EHADRM Cc1ccc(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c(Cl)c1Cl ZINC001594373018 958556150 /nfs/dbraw/zinc/55/61/50/958556150.db2.gz UXOABKYBOXHLMU-BDAKNGLRSA-N -1 0 331.199 3.677 20 0 EHADRM Cc1sc(-c2ccco2)nc1C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000391740433 972364034 /nfs/dbraw/zinc/36/40/34/972364034.db2.gz JVVSEEONESNPBB-UHFFFAOYSA-N -1 0 342.376 3.970 20 0 EHADRM Cc1ccc(NC(=O)COc2ccc(C(C)C)cc2)c(C(=O)[O-])c1 ZINC000391718390 972361150 /nfs/dbraw/zinc/36/11/50/972361150.db2.gz QPPCHRAAFPUARS-UHFFFAOYSA-N -1 0 327.380 3.834 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)c1cnc(Cl)c(Cl)c1 ZINC000128160210 958638856 /nfs/dbraw/zinc/63/88/56/958638856.db2.gz CBMCTIATZFFSMV-UHFFFAOYSA-N -1 0 331.180 3.709 20 0 EHADRM Cc1cc(Cl)c(NC(=O)N[C@H]2CCC[C@@H]2C(=O)[O-])cc1Cl ZINC000128402094 958659776 /nfs/dbraw/zinc/65/97/76/958659776.db2.gz YSURUDFRZAKTTF-KWQFWETISA-N -1 0 331.199 3.677 20 0 EHADRM Cc1cc(Cl)c(NC(=O)N[C@@H](CC(=O)[O-])C2CC2)cc1Cl ZINC000128380773 958660453 /nfs/dbraw/zinc/66/04/53/958660453.db2.gz GWUJWEHPQMWYPZ-NSHDSACASA-N -1 0 331.199 3.677 20 0 EHADRM CC(=O)N(c1nc(CS[C@@H](C)C(=O)[O-])cs1)c1ccccc1 ZINC001588493247 958660715 /nfs/dbraw/zinc/66/07/15/958660715.db2.gz YTJSOZVVBJETNU-JTQLQIEISA-N -1 0 336.438 3.534 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC001594387597 958690243 /nfs/dbraw/zinc/69/02/43/958690243.db2.gz GXCNQPQLFSBLBE-STQMWFEESA-N -1 0 331.318 3.714 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)N[C@@H](c1ccccc1)C(F)F)C(=O)[O-] ZINC001573394913 958713106 /nfs/dbraw/zinc/71/31/06/958713106.db2.gz ILQFOSRKXRUCBD-STQMWFEESA-N -1 0 342.386 3.572 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)CCCc1ccc(F)c(F)c1)C(=O)[O-] ZINC001573395953 958717326 /nfs/dbraw/zinc/71/73/26/958717326.db2.gz RDBOPZXXNBRNSV-OAHLLOKOSA-N -1 0 341.398 3.683 20 0 EHADRM Cc1cccc([C@@H](NC(=O)Nc2nc(C(C)(C)C)cs2)C(=O)[O-])c1 ZINC001594392662 958744033 /nfs/dbraw/zinc/74/40/33/958744033.db2.gz IAVAXCZIFBKEHX-CYBMUJFWSA-N -1 0 347.440 3.696 20 0 EHADRM Cc1cccc([C@H](NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)C(=O)[O-])c1 ZINC001594394566 958759305 /nfs/dbraw/zinc/75/93/05/958759305.db2.gz XDWUZTWHUQWSDX-MCIONIFRSA-N -1 0 343.345 3.606 20 0 EHADRM Cc1cccc([C@H](NC(=O)Nc2ccc(Cl)cc2F)C(=O)[O-])c1 ZINC001594397936 958790220 /nfs/dbraw/zinc/79/02/20/958790220.db2.gz PNLPRECAHHUTGE-AWEZNQCLSA-N -1 0 336.750 3.735 20 0 EHADRM CC(=O)Nc1ccc(Cl)c(C(=O)Nc2c(C)cccc2C(=O)[O-])c1 ZINC001588520274 958829805 /nfs/dbraw/zinc/82/98/05/958829805.db2.gz RJMSIWFBVVOGAV-UHFFFAOYSA-N -1 0 346.770 3.557 20 0 EHADRM Cc1cccc2c1CCC[C@H]2NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001594412790 958959807 /nfs/dbraw/zinc/95/98/07/958959807.db2.gz OQBJUGNGWDATGJ-GOSISDBHSA-N -1 0 338.407 3.570 20 0 EHADRM CC(C)(CNC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccccc1Cl ZINC001573475046 958960908 /nfs/dbraw/zinc/96/09/08/958960908.db2.gz VKNUDNMHMJHURT-CSKARUKUSA-N -1 0 347.798 3.738 20 0 EHADRM Cc1ccccc1OCCCC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001594419937 959047026 /nfs/dbraw/zinc/04/70/26/959047026.db2.gz MBYGQXURUAYSJZ-HNNXBMFYSA-N -1 0 335.444 3.550 20 0 EHADRM O=C([O-])CC1(CC(=O)N(Cc2ccccc2F)C2CC2)CCCC1 ZINC000392026819 972401116 /nfs/dbraw/zinc/40/11/16/972401116.db2.gz IECCPYGUQAWZBW-UHFFFAOYSA-N -1 0 333.403 3.742 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)ccc1F ZINC000392046216 972403878 /nfs/dbraw/zinc/40/38/78/972403878.db2.gz RMMJHJVCLRNTCZ-UHFFFAOYSA-N -1 0 345.223 3.934 20 0 EHADRM CSCc1ccccc1NC(=O)NCc1ccccc1C(=O)[O-] ZINC001594188312 959142879 /nfs/dbraw/zinc/14/28/79/959142879.db2.gz ZABIUYVBHQVSOA-UHFFFAOYSA-N -1 0 330.409 3.570 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1ccc(C2CCC2)cn1)CC(=O)[O-] ZINC001573536505 959170467 /nfs/dbraw/zinc/17/04/67/959170467.db2.gz IDYBLKMPLYWLEA-ZDUSSCGKSA-N -1 0 333.432 3.608 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1 ZINC001573539471 959185062 /nfs/dbraw/zinc/18/50/62/959185062.db2.gz LTTMWIFFLWASIH-QAPCUYQASA-N -1 0 331.456 3.529 20 0 EHADRM CSc1ccc(Cl)c(NC(=O)NC[C@H](C(=O)[O-])C(C)C)c1 ZINC001594194194 959186336 /nfs/dbraw/zinc/18/63/36/959186336.db2.gz SPCYEYFLOXZWIA-JTQLQIEISA-N -1 0 330.837 3.540 20 0 EHADRM C[C@@H](NC(=O)C1(C(=O)[O-])CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000165029053 959269983 /nfs/dbraw/zinc/26/99/83/959269983.db2.gz NHDBSGQMKIOEPQ-GFCCVEGCSA-N -1 0 343.354 3.660 20 0 EHADRM C[C@@H](NC(=O)c1coc(/C=C/C(=O)[O-])c1)c1ccc(F)cc1Cl ZINC001594206559 959273596 /nfs/dbraw/zinc/27/35/96/959273596.db2.gz VRLOKKGGUKPAPC-HYYFJVDXSA-N -1 0 337.734 3.661 20 0 EHADRM O=C([O-])C1(CNC(=O)c2cccc(Cl)c2Cl)CCCCC1 ZINC000165628499 959287217 /nfs/dbraw/zinc/28/72/17/959287217.db2.gz RQJPNMDLROWGMO-UHFFFAOYSA-N -1 0 330.211 3.758 20 0 EHADRM CC1CCN(c2ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc2)CC1 ZINC000392156249 972417008 /nfs/dbraw/zinc/41/70/08/972417008.db2.gz OAVONRCVVNFMQE-UHFFFAOYSA-N -1 0 332.444 3.752 20 0 EHADRM Cc1nc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)c(C)s1 ZINC001594447261 959340747 /nfs/dbraw/zinc/34/07/47/959340747.db2.gz KDONVKNVBLSRNZ-UHFFFAOYSA-N -1 0 328.752 3.503 20 0 EHADRM C[C@H](C(=O)[O-])c1noc(-c2cc(-c3ccccn3)ccc2Cl)n1 ZINC001588600217 959415600 /nfs/dbraw/zinc/41/56/00/959415600.db2.gz SQBOCSSNTDXHHD-VIFPVBQESA-N -1 0 329.743 3.640 20 0 EHADRM CN(Cc1cccc2ccccc21)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000179966392 959436197 /nfs/dbraw/zinc/43/61/97/959436197.db2.gz PPXROZJDOANAQV-JKSUJKDBSA-N -1 0 325.408 3.689 20 0 EHADRM Cc1nc2sc3c(c2c(N([C@H](C)C(=O)[O-])C2CC2)n1)CC[C@@H](C)C3 ZINC001594458384 959441567 /nfs/dbraw/zinc/44/15/67/959441567.db2.gz YSRSKBNPSIJQKH-NXEZZACHSA-N -1 0 345.468 3.566 20 0 EHADRM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2cc(C(=O)[O-])co2)o1 ZINC000183802820 959452156 /nfs/dbraw/zinc/45/21/56/959452156.db2.gz SVGNOEMTVQBMIX-FZMZJTMJSA-N -1 0 331.368 3.747 20 0 EHADRM C[C@H](C(=O)OCc1ccc(C(=O)[O-])cc1)c1cn(C)c2ccccc12 ZINC001588607440 959488039 /nfs/dbraw/zinc/48/80/39/959488039.db2.gz SWXZNGSHJHAUBJ-ZDUSSCGKSA-N -1 0 337.375 3.723 20 0 EHADRM Cc1nc2ccc(NC(=O)N3CCC[C@H](CCC(=O)[O-])C3)cc2s1 ZINC001594464214 959492043 /nfs/dbraw/zinc/49/20/43/959492043.db2.gz LLIOSYCURANHQZ-GFCCVEGCSA-N -1 0 347.440 3.713 20 0 EHADRM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)c1cccc2ccccc21 ZINC000187518979 959503400 /nfs/dbraw/zinc/50/34/00/959503400.db2.gz GUIOLBGSJVUXPE-UHFFFAOYSA-N -1 0 349.386 3.575 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N(CC(=O)[O-])C(C)C ZINC000190755879 959520712 /nfs/dbraw/zinc/52/07/12/959520712.db2.gz PFSQDQXIQHLXNA-UHFFFAOYSA-N -1 0 325.364 3.830 20 0 EHADRM Cc1cncc(/C=C/C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)c1 ZINC000190898432 959528163 /nfs/dbraw/zinc/52/81/63/959528163.db2.gz KCOQGJWQEKUQLS-GORDUTHDSA-N -1 0 338.388 3.955 20 0 EHADRM CCc1oc2ccccc2c1C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000190887981 959528458 /nfs/dbraw/zinc/52/84/58/959528458.db2.gz ZWKHEFKKHOUPKW-UHFFFAOYSA-N -1 0 341.363 3.867 20 0 EHADRM CC[C@@H](C(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000191020729 959536702 /nfs/dbraw/zinc/53/67/02/959536702.db2.gz FEPBIGCIQQREAO-QGZVFWFLSA-N -1 0 329.371 3.975 20 0 EHADRM CCCc1ncc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)s1 ZINC000191403761 959560846 /nfs/dbraw/zinc/56/08/46/959560846.db2.gz XJWNPBSQKAPKBG-LLVKDONJSA-N -1 0 332.425 3.611 20 0 EHADRM Cc1ccccc1CCC(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000191547396 959580455 /nfs/dbraw/zinc/58/04/55/959580455.db2.gz FJZRRDWXANXBJO-LJQANCHMSA-N -1 0 339.435 3.520 20 0 EHADRM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1ccc(C(=O)[O-])cn1 ZINC000191648443 959587569 /nfs/dbraw/zinc/58/75/69/959587569.db2.gz JZXNZRJGEWZSJI-LLVKDONJSA-N -1 0 347.440 3.501 20 0 EHADRM CC(C)(C)C(=O)C(=O)Nc1scc(-c2ccsc2)c1C(=O)[O-] ZINC001588628788 959600595 /nfs/dbraw/zinc/60/05/95/959600595.db2.gz UHFQVUNRNYDCJB-UHFFFAOYSA-N -1 0 337.422 3.729 20 0 EHADRM CC1(C)C2CCC1(C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c3ccccc31)CC2 ZINC001573655889 959671254 /nfs/dbraw/zinc/67/12/54/959671254.db2.gz MEIFPXFQFBFSOO-ZXNHSCLQSA-N -1 0 327.424 3.632 20 0 EHADRM O=C([O-])c1ccc(OC(=O)/C=C\c2ccccc2)c(Br)c1 ZINC000210251079 959673914 /nfs/dbraw/zinc/67/39/14/959673914.db2.gz VXJUCFQBJHCIDD-TWGQIWQCSA-N -1 0 347.164 3.766 20 0 EHADRM Cc1c(Cl)cc(NC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)cc1Cl ZINC001594263153 959719349 /nfs/dbraw/zinc/71/93/49/959719349.db2.gz YDRLBUFENKJHLR-ONGXEEELSA-N -1 0 346.210 3.510 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)[C@@H]1CC(C)(C)Oc2ccccc21)C(=O)[O-] ZINC001588644976 959726533 /nfs/dbraw/zinc/72/65/33/959726533.db2.gz GSPLVBZVBZIGGE-CABCVRRESA-N -1 0 347.455 3.727 20 0 EHADRM Cc1c(F)cccc1NC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001594263513 959728433 /nfs/dbraw/zinc/72/84/33/959728433.db2.gz ZBOFNLMSAYXKRJ-CZUORRHYSA-N -1 0 328.343 3.569 20 0 EHADRM Cc1c(NC(=O)Cc2ccccc2C(=O)[O-])cccc1-c1ncco1 ZINC001594265169 959736425 /nfs/dbraw/zinc/73/64/25/959736425.db2.gz XLULFNMLBZJHHA-UHFFFAOYSA-N -1 0 336.347 3.529 20 0 EHADRM C[C@@]1(CCNC(=O)Nc2cccc(CCC(=O)[O-])c2)C[C@]1(F)Cl ZINC001573683127 959737561 /nfs/dbraw/zinc/73/75/61/959737561.db2.gz AZIHDRSMQZHDKC-HZPDHXFCSA-N -1 0 342.798 3.530 20 0 EHADRM Cc1c(N[C@@H](C)C(=O)[O-])cc(Br)cc1C(F)(F)F ZINC001594266172 959739924 /nfs/dbraw/zinc/73/99/24/959739924.db2.gz DCURYEMOKIQLKO-LURJTMIESA-N -1 0 326.112 3.661 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)CCOc1ccccc1Cl)C(=O)[O-] ZINC001588650420 959761035 /nfs/dbraw/zinc/76/10/35/959761035.db2.gz KCXXBPSSMHHHEA-ZDUSSCGKSA-N -1 0 341.835 3.505 20 0 EHADRM Cc1cc(-c2ncccc2NC(=O)N[C@H](CC(C)C)C(=O)[O-])cs1 ZINC001594268341 959766880 /nfs/dbraw/zinc/76/68/80/959766880.db2.gz SLZAVDOPCVEKJN-CQSZACIVSA-N -1 0 347.440 3.739 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CC2(CSc3ccccc3)CC2)C1 ZINC001573700164 959823717 /nfs/dbraw/zinc/82/37/17/959823717.db2.gz WZODISYBFNHEHN-CABCVRRESA-N -1 0 347.480 3.518 20 0 EHADRM Cc1occc1CN(C)Cc1ccc(C(=O)[O-])cc1Br ZINC000226721635 959897466 /nfs/dbraw/zinc/89/74/66/959897466.db2.gz QVPGHOHUPQTBLW-UHFFFAOYSA-N -1 0 338.201 3.681 20 0 EHADRM CCc1cc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc(Cl)n1 ZINC000392482291 972489270 /nfs/dbraw/zinc/48/92/70/972489270.db2.gz CRPSBFSNUFWSMX-UHFFFAOYSA-N -1 0 346.814 3.912 20 0 EHADRM C[C@H]1CCCN(C(=O)c2cccc(SC(F)(F)F)c2)[C@H]1C(=O)[O-] ZINC001573725491 960401262 /nfs/dbraw/zinc/40/12/62/960401262.db2.gz FSADDXNTTZMDDW-JOYOIKCWSA-N -1 0 347.358 3.624 20 0 EHADRM COc1cccc(C[C@@H](C)CC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC001574231772 960409088 /nfs/dbraw/zinc/40/90/88/960409088.db2.gz AOCYYIQABGMYEL-PBHICJAKSA-N -1 0 349.471 3.660 20 0 EHADRM CC(C)(C)CN(CC(=O)OC(C)(C)C)Cc1cccc(C(=O)[O-])c1 ZINC001588657300 960417698 /nfs/dbraw/zinc/41/76/98/960417698.db2.gz WQHJPNQYQXTVRC-UHFFFAOYSA-N -1 0 335.444 3.575 20 0 EHADRM C[C@H]1Cc2c(C(=O)[O-])c(NC(=O)Cc3ccccc3)sc2[C@H](C)O1 ZINC001573747592 960509113 /nfs/dbraw/zinc/50/91/13/960509113.db2.gz QDLZUQPCDJAOHU-QWRGUYRKSA-N -1 0 345.420 3.650 20 0 EHADRM C[C@@H]1CSc2ccc(Cl)cc2N(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C1 ZINC001573747691 960511197 /nfs/dbraw/zinc/51/11/97/960511197.db2.gz RHJQVUFUOAXXCB-ZMLRMANQSA-N -1 0 339.844 3.526 20 0 EHADRM CSc1nc2ccccc2c(C)c1NC(=O)N(C)CCCC(=O)[O-] ZINC001574257491 960543088 /nfs/dbraw/zinc/54/30/88/960543088.db2.gz LHUCYINWAQZFEG-UHFFFAOYSA-N -1 0 347.440 3.594 20 0 EHADRM CSc1cc(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)ccc1F ZINC001574257595 960544621 /nfs/dbraw/zinc/54/46/21/960544621.db2.gz QXTQCYDVTAJRGZ-UKRRQHHQSA-N -1 0 345.395 3.591 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC001574257746 960549565 /nfs/dbraw/zinc/54/95/65/960549565.db2.gz VQWYHYJAIUKXIY-QMMMGPOBSA-N -1 0 328.821 3.531 20 0 EHADRM C[C@@H](NC(=O)NCc1ccccc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001574261418 960572183 /nfs/dbraw/zinc/57/21/83/960572183.db2.gz UPJNGPNDFPZIQU-LLVKDONJSA-N -1 0 332.787 3.599 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(Cc1cc(-c3ccccc3)no1)CC2 ZINC000392768998 972518921 /nfs/dbraw/zinc/51/89/21/972518921.db2.gz WCMNQYPGKADYHL-UHFFFAOYSA-N -1 0 334.375 3.598 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc(Cl)sc1Cl)c1cccs1 ZINC000236447947 960616145 /nfs/dbraw/zinc/61/61/45/960616145.db2.gz NGFPNWUEVVWWQM-MRVPVSSYSA-N -1 0 336.221 3.672 20 0 EHADRM CCC(C)(C)c1ccc(COC(=O)C2(CC(=O)[O-])CCOCC2)cc1 ZINC001573769688 960652346 /nfs/dbraw/zinc/65/23/46/960652346.db2.gz BTALUZBBKWWQDV-UHFFFAOYSA-N -1 0 348.439 3.689 20 0 EHADRM C[C@H](CC(F)(F)F)C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001574286283 960659395 /nfs/dbraw/zinc/65/93/95/960659395.db2.gz KHJGWRXHRNWWGE-RXMQYKEDSA-N -1 0 327.661 3.704 20 0 EHADRM Cc1c(C(=O)NCc2ccccc2C(=O)[O-])cccc1-c1ccccn1 ZINC001574296979 960699591 /nfs/dbraw/zinc/69/95/91/960699591.db2.gz VNUWEIRXHFOLDT-UHFFFAOYSA-N -1 0 346.386 3.685 20 0 EHADRM Cc1c(Cl)cccc1C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001574297849 960704700 /nfs/dbraw/zinc/70/47/00/960704700.db2.gz JJZYTVCPAWJHCS-HOCLYGCPSA-N -1 0 329.783 3.691 20 0 EHADRM CC(C)Sc1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000236629682 960720269 /nfs/dbraw/zinc/72/02/69/960720269.db2.gz PAYYIXJKIZFZOC-CQSZACIVSA-N -1 0 335.469 3.904 20 0 EHADRM CCCCC[C@H](NC(=O)c1sc(C2CCCC2)nc1C)C(=O)[O-] ZINC000236684958 960730974 /nfs/dbraw/zinc/73/09/74/960730974.db2.gz LWUYRKUXKAWWNW-ZDUSSCGKSA-N -1 0 338.473 3.872 20 0 EHADRM CC(C)(CNC(=O)c1ccc(C(=O)[O-])s1)c1cccc(Cl)c1 ZINC000236708300 960738421 /nfs/dbraw/zinc/73/84/21/960738421.db2.gz YDSKPQVUUFNTCW-UHFFFAOYSA-N -1 0 337.828 3.807 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000236718290 960742784 /nfs/dbraw/zinc/74/27/84/960742784.db2.gz YTWQCGMOLYMYCA-UHFFFAOYSA-N -1 0 348.402 3.837 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1)C(=O)[O-] ZINC001261631268 960750382 /nfs/dbraw/zinc/75/03/82/960750382.db2.gz NVGURDIBEDQVCI-LTZCYQRMSA-N -1 0 337.366 3.570 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 ZINC000236776730 960755762 /nfs/dbraw/zinc/75/57/62/960755762.db2.gz HHJCASPBROGLCM-ZDUSSCGKSA-N -1 0 342.439 3.618 20 0 EHADRM CC(C)c1cccc(OCC(=O)N[C@@H](CC(=O)[O-])c2cccs2)c1 ZINC000236796409 960758605 /nfs/dbraw/zinc/75/86/05/960758605.db2.gz KVASUMPKGGXDTR-HNNXBMFYSA-N -1 0 347.436 3.583 20 0 EHADRM CCC[C@](C)(NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000236814626 960763227 /nfs/dbraw/zinc/76/32/27/960763227.db2.gz MBDWDJDQJOCORY-FQEVSTJZSA-N -1 0 325.408 3.656 20 0 EHADRM CCC[C@@H](C)CC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000236851059 960775056 /nfs/dbraw/zinc/77/50/56/960775056.db2.gz XFOAURQFPAHGPW-GFCCVEGCSA-N -1 0 328.412 3.577 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N(C)[C@H](C)Cc2cccc(F)c2)c1 ZINC001574315618 960783110 /nfs/dbraw/zinc/78/31/10/960783110.db2.gz PKLQTWHUKCEOSC-CYBMUJFWSA-N -1 0 329.371 3.536 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NC2(c3ccccc3F)CCC2)c1 ZINC001574316335 960792430 /nfs/dbraw/zinc/79/24/30/960792430.db2.gz ZOZBGLIBWOZJDJ-UHFFFAOYSA-N -1 0 327.355 3.642 20 0 EHADRM CC[C@H](CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)c1ccc(C)cc1 ZINC000236923145 960799224 /nfs/dbraw/zinc/79/92/24/960799224.db2.gz NOEMKRZZHHKOCS-DLBZAZTESA-N -1 0 331.456 3.982 20 0 EHADRM CCCc1cc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])sc1C ZINC000236957583 960811006 /nfs/dbraw/zinc/81/10/06/960811006.db2.gz FYBGQIZBNXNDFZ-INIZCTEOSA-N -1 0 343.448 3.661 20 0 EHADRM CN(C(=O)c1cncc(-c2ccc(Cl)cc2)c1)C(C)(C)CC(=O)[O-] ZINC001262177960 960819067 /nfs/dbraw/zinc/81/90/67/960819067.db2.gz LWVGHXLTSWHQOT-UHFFFAOYSA-N -1 0 346.814 3.727 20 0 EHADRM Cc1cc(C)cc(C2(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])CC2)c1 ZINC001574321626 960823495 /nfs/dbraw/zinc/82/34/95/960823495.db2.gz BIFVUEMPALMTCZ-MRXNPFEDSA-N -1 0 331.456 3.731 20 0 EHADRM CC[C@H](C)[C@H](C(=O)Nc1nc(CC(=O)[O-])cs1)c1ccccc1 ZINC000236985135 960825320 /nfs/dbraw/zinc/82/53/20/960825320.db2.gz LYUZNSCDBOBZMH-NHYWBVRUSA-N -1 0 332.425 3.539 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@@]1(C)CCCc2ccccc21 ZINC000237045507 960851617 /nfs/dbraw/zinc/85/16/17/960851617.db2.gz PXZRNUZSAIAPTP-NRFANRHFSA-N -1 0 337.419 3.637 20 0 EHADRM CCC[C@H]1[C@H](C)CCCN1C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000237050272 960855139 /nfs/dbraw/zinc/85/51/39/960855139.db2.gz OZUUFLGTOOCNSY-DYVFJYSZSA-N -1 0 347.455 3.808 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001573809556 960871001 /nfs/dbraw/zinc/87/10/01/960871001.db2.gz OXIHRHVCULWBGP-KRWDZBQOSA-N -1 0 325.408 3.578 20 0 EHADRM CN(Cc1ccccc1C(F)(F)F)C(=O)c1ccc(C(=O)[O-])s1 ZINC000237149915 960879280 /nfs/dbraw/zinc/87/92/80/960879280.db2.gz CNUXCTPQSFPCFB-UHFFFAOYSA-N -1 0 343.326 3.737 20 0 EHADRM CO[C@H](C(=O)Nc1cc2ccccc2cc1C(=O)[O-])c1ccccc1 ZINC000237167821 960881980 /nfs/dbraw/zinc/88/19/80/960881980.db2.gz XLJQMAMNVKSGNI-SFHVURJKSA-N -1 0 335.359 3.864 20 0 EHADRM COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000237260166 960894928 /nfs/dbraw/zinc/89/49/28/960894928.db2.gz RXRZAZUTRRAMHN-HNNXBMFYSA-N -1 0 339.391 3.842 20 0 EHADRM Cc1ccc2c(c1)N(C(=O)c1ccccc1S[C@H](C)C(=O)[O-])CC2 ZINC000237368455 960920541 /nfs/dbraw/zinc/92/05/41/960920541.db2.gz WUSIICGDTHTGDB-CYBMUJFWSA-N -1 0 341.432 3.763 20 0 EHADRM C[C@@H](CN(C)C(=O)c1ccccc1SCc1cccs1)C(=O)[O-] ZINC000237406391 960929987 /nfs/dbraw/zinc/92/99/87/960929987.db2.gz SEOPSHFUATWIHX-LBPRGKRZSA-N -1 0 349.477 3.833 20 0 EHADRM Cc1cc(CNC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])ccc1F ZINC000237558540 960960633 /nfs/dbraw/zinc/96/06/33/960960633.db2.gz VHYBLXCFNJFPOW-LBPRGKRZSA-N -1 0 347.411 3.629 20 0 EHADRM CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(C(=O)[O-])o1 ZINC001319864816 960963416 /nfs/dbraw/zinc/96/34/16/960963416.db2.gz XZRBCFGUZURGLZ-UHFFFAOYSA-N -1 0 328.151 3.557 20 0 EHADRM COc1ccc2cc(C(=O)N3CCC(CCC(=O)[O-])CC3)ccc2c1 ZINC001319867425 960965369 /nfs/dbraw/zinc/96/53/69/960965369.db2.gz SRRVGHMWYRTXGD-UHFFFAOYSA-N -1 0 341.407 3.565 20 0 EHADRM Cc1c(CNC(=O)c2ccc(C(=O)[O-])cc2)oc2ccc(F)cc12 ZINC000237597150 960968831 /nfs/dbraw/zinc/96/88/31/960968831.db2.gz FMFVANFVLHPPQS-UHFFFAOYSA-N -1 0 327.311 3.509 20 0 EHADRM Cc1sc(-c2ccco2)nc1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000237719017 961007493 /nfs/dbraw/zinc/00/74/93/961007493.db2.gz JGFPBXHPHLBZBS-UHFFFAOYSA-N -1 0 346.339 3.801 20 0 EHADRM CC[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1C)c1ccc(OC)cc1 ZINC001322601305 961008944 /nfs/dbraw/zinc/00/89/44/961008944.db2.gz PPXNUHPTUIUYSZ-MRXNPFEDSA-N -1 0 327.380 3.834 20 0 EHADRM Cc1ccc(CNC(=O)c2ccc(C(=O)[O-])s2)c(OC(C)(C)C)c1 ZINC000237728868 961011731 /nfs/dbraw/zinc/01/17/31/961011731.db2.gz LOASVPBMFSMVSF-UHFFFAOYSA-N -1 0 347.436 3.862 20 0 EHADRM Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3C)cc2)n1 ZINC001322783245 961013729 /nfs/dbraw/zinc/01/37/29/961013729.db2.gz ANJYAKLDPFRNEK-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM Cc1ccc([C@@H](NC(=O)Nc2ccccc2C(=O)[O-])C(F)(F)F)o1 ZINC001574359749 961022586 /nfs/dbraw/zinc/02/25/86/961022586.db2.gz ZQMPZVPZPVWQSE-GFCCVEGCSA-N -1 0 342.273 3.711 20 0 EHADRM Cc1nc(-c2c[nH]c(C(=O)Nc3cc(C(=O)[O-])ccc3F)c2)cs1 ZINC000237787388 961023319 /nfs/dbraw/zinc/02/33/19/961023319.db2.gz KPABOJZPSJXKJX-UHFFFAOYSA-N -1 0 345.355 3.536 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)nc1 ZINC000238049422 961088193 /nfs/dbraw/zinc/08/81/93/961088193.db2.gz RYGSUDVYFGBNSQ-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM Cc1ccc2c(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])csc2c1 ZINC001574382263 961115085 /nfs/dbraw/zinc/11/50/85/961115085.db2.gz QCJWFGINUFIOCM-INIZCTEOSA-N -1 0 339.416 3.635 20 0 EHADRM O=C([O-])CCCC(=O)N(Cc1ccccc1)Cc1ccccc1F ZINC001326692484 961117487 /nfs/dbraw/zinc/11/74/87/961117487.db2.gz JHPXYOIJFOEGGE-UHFFFAOYSA-N -1 0 329.371 3.609 20 0 EHADRM CC(C)(C)OCc1ccccc1NC(=O)NC1(C(=O)[O-])CCCC1 ZINC001588734806 961129694 /nfs/dbraw/zinc/12/96/94/961129694.db2.gz MMRNPVYIJAFFMY-UHFFFAOYSA-N -1 0 334.416 3.521 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)/C=C/c2nc3ccccc3s2)c1 ZINC000238155093 961133769 /nfs/dbraw/zinc/13/37/69/961133769.db2.gz CXZCULHMLYVPRH-BQYQJAHWSA-N -1 0 342.351 3.786 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000238168151 961139229 /nfs/dbraw/zinc/13/92/29/961139229.db2.gz LGNRCEWSKXQQGH-UHFFFAOYSA-N -1 0 343.448 3.889 20 0 EHADRM Cc1cccc([C@H](NCc2c(F)c(F)c(F)c(F)c2F)C(=O)[O-])c1 ZINC001574395068 961206530 /nfs/dbraw/zinc/20/65/30/961206530.db2.gz PDGFCJJEQJAFDS-HNNXBMFYSA-N -1 0 345.267 3.606 20 0 EHADRM CN(C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(C)(C)CC(=O)[O-] ZINC001328575030 961213970 /nfs/dbraw/zinc/21/39/70/961213970.db2.gz SWGMHKIOPJAMFO-RYUDHWBXSA-N -1 0 344.238 3.809 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)/C=C\c1cccs1)C(=O)[O-] ZINC000255304912 961323645 /nfs/dbraw/zinc/32/36/45/961323645.db2.gz YSKAHHURRAUICD-CFYYFVFUSA-N -1 0 329.421 3.511 20 0 EHADRM Cc1nc2cc(NC(=O)/C=C\c3ccc(C(=O)[O-])o3)ccc2s1 ZINC001574424393 961360716 /nfs/dbraw/zinc/36/07/16/961360716.db2.gz SGHHUZPAGMGQQT-DAXSKMNVSA-N -1 0 328.349 3.548 20 0 EHADRM Cc1noc(C(C)C)c1NC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001574444020 961438205 /nfs/dbraw/zinc/43/82/05/961438205.db2.gz YKKZJISETLZSTQ-NSHDSACASA-N -1 0 325.409 3.507 20 0 EHADRM C[C@@H](CC(=O)N[C@H](CC1CC1)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000262095797 961454065 /nfs/dbraw/zinc/45/40/65/961454065.db2.gz BLOCUBKXUAAMNV-IINYFYTJSA-N -1 0 343.345 3.569 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000262121549 961478346 /nfs/dbraw/zinc/47/83/46/961478346.db2.gz JRSSSCNORYMOHW-HKUYNNGSSA-N -1 0 337.419 3.770 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1 ZINC001588809390 961512986 /nfs/dbraw/zinc/51/29/86/961512986.db2.gz OUWIZMUCPRQHBM-SNVBAGLBSA-N -1 0 339.697 3.534 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)C[C@@H]1CCCc3ccccc31)CC2 ZINC000262188071 961534154 /nfs/dbraw/zinc/53/41/54/961534154.db2.gz NBGNQYMPJJPFJF-KRWDZBQOSA-N -1 0 349.430 3.780 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)OCc1cccc(SC(F)(F)F)c1 ZINC001588814116 961549432 /nfs/dbraw/zinc/54/94/32/961549432.db2.gz QKOKKXSEBRFXBR-LLVKDONJSA-N -1 0 336.331 3.699 20 0 EHADRM CC(C)[C@H](CCc1ccccc1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001588814948 961559023 /nfs/dbraw/zinc/55/90/23/961559023.db2.gz ANCSHYXPKFBALU-ABHNRTSZSA-N -1 0 331.456 3.651 20 0 EHADRM Cc1cc(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)c(C)n1C(C)C ZINC000262222967 961566811 /nfs/dbraw/zinc/56/68/11/961566811.db2.gz RFJNTRAVUBZLDB-SFHVURJKSA-N -1 0 340.423 3.510 20 0 EHADRM CC(C)[C@H](CNC(=O)C1(C(=O)[O-])CCCCC1)Cc1ccccc1 ZINC001588816265 961579904 /nfs/dbraw/zinc/57/99/04/961579904.db2.gz BAPXXLJOOSZDSU-KRWDZBQOSA-N -1 0 331.456 3.653 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N1CCC[C@H]1C1CCCCC1 ZINC000262244326 961587530 /nfs/dbraw/zinc/58/75/30/961587530.db2.gz URJXDNBXQRMILU-SFHVURJKSA-N -1 0 329.440 3.889 20 0 EHADRM CC[C@H](NC(=O)N1CCC[C@](CC)(C(=O)[O-])C1)c1ccc(F)cc1 ZINC001573942605 961617172 /nfs/dbraw/zinc/61/71/72/961617172.db2.gz AVOUNEACHVUHDC-YJBOKZPZSA-N -1 0 336.407 3.563 20 0 EHADRM COc1ccccc1[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC000262325601 961645183 /nfs/dbraw/zinc/64/51/83/961645183.db2.gz DJCGCBQRZZZCBM-MRXNPFEDSA-N -1 0 343.354 3.510 20 0 EHADRM CCc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1CC ZINC001573954973 961668158 /nfs/dbraw/zinc/66/81/58/961668158.db2.gz TWTPLUPITVMMAQ-QGZVFWFLSA-N -1 0 329.371 3.506 20 0 EHADRM CC(C)[C@@H](CNC(=O)NCc1ccc(-c2ccccc2)s1)C(=O)[O-] ZINC001588825567 961669241 /nfs/dbraw/zinc/66/92/41/961669241.db2.gz WXWFFTHVGBKCTL-OAHLLOKOSA-N -1 0 346.452 3.571 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000262361778 961671645 /nfs/dbraw/zinc/67/16/45/961671645.db2.gz GXWXBQVQENRJFT-AWEZNQCLSA-N -1 0 343.448 3.964 20 0 EHADRM CCc1ccc2ccccc2c1CNC(=O)C1(CC(=O)[O-])CCC1 ZINC001573956894 961675858 /nfs/dbraw/zinc/67/58/58/961675858.db2.gz PQRCNXRUMPHBDQ-UHFFFAOYSA-N -1 0 325.408 3.663 20 0 EHADRM CC(C)Oc1cccc(CC(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC000262430203 961715319 /nfs/dbraw/zinc/71/53/19/961715319.db2.gz SIMUFTUCPXCJKA-UHFFFAOYSA-N -1 0 341.407 3.672 20 0 EHADRM CC(C)c1ccc(SCC(=O)N2CCC(CC(=O)[O-])CC2)cc1 ZINC000262460225 961733812 /nfs/dbraw/zinc/73/38/12/961733812.db2.gz QRCUFWFIMAGUDF-UHFFFAOYSA-N -1 0 335.469 3.615 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC000262495207 961750605 /nfs/dbraw/zinc/75/06/05/961750605.db2.gz ZYFVMEKLENPMSC-UKRRQHHQSA-N -1 0 341.382 3.851 20 0 EHADRM CN(C(=O)CCCC(=O)[O-])[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC001573979844 961760447 /nfs/dbraw/zinc/76/04/47/961760447.db2.gz JRUPPCYGHDTFBJ-ZDUSSCGKSA-N -1 0 337.725 3.657 20 0 EHADRM CCOCc1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1 ZINC001334183346 961768363 /nfs/dbraw/zinc/76/83/63/961768363.db2.gz WHKKEVQFBPNADB-UHFFFAOYSA-N -1 0 331.412 3.587 20 0 EHADRM CC(C)C1CCC(CNC(=O)N2CCC[C@H](CCC(=O)[O-])C2)CC1 ZINC001588841033 961799810 /nfs/dbraw/zinc/79/98/10/961799810.db2.gz HMDPGVYGHPRCLS-AQFXKWCLSA-N -1 0 338.492 3.735 20 0 EHADRM CCCCOc1ccc(OC)cc1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262684835 961806596 /nfs/dbraw/zinc/80/65/96/961806596.db2.gz BZJDMLGWAUEDDI-HDJSIYSDSA-N -1 0 349.427 3.704 20 0 EHADRM C[C@H](C(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-])c1ccc(Cl)s1 ZINC000262709363 961818635 /nfs/dbraw/zinc/81/86/35/961818635.db2.gz BIYQBECTMXTMOA-FEUHOPSXSA-N -1 0 329.849 3.655 20 0 EHADRM CSc1ccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1Cl ZINC000262722821 961826705 /nfs/dbraw/zinc/82/67/05/961826705.db2.gz QRBAIUKJRMEBST-MGCOHNPYSA-N -1 0 327.833 3.891 20 0 EHADRM CC[C@@H](C)n1ncc(C(=O)Nc2ccc(CC(=O)[O-])cc2)c1C1CC1 ZINC000262731308 961834269 /nfs/dbraw/zinc/83/42/69/961834269.db2.gz HGTRCOPODOWEBC-GFCCVEGCSA-N -1 0 341.411 3.611 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cccc(OCC(=O)[O-])c2)CC12CCCCC2 ZINC000262800001 961872703 /nfs/dbraw/zinc/87/27/03/961872703.db2.gz ODWFOMARUUGTAF-OAHLLOKOSA-N -1 0 345.439 3.583 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2csc(C(C)(C)C)n2)cc1)C(=O)[O-] ZINC000262815775 961882786 /nfs/dbraw/zinc/88/27/86/961882786.db2.gz PQLHHTWXSVMKHH-LLVKDONJSA-N -1 0 346.452 3.956 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)CC(C2CC2)C2CC2)nc1C(=O)[O-] ZINC001335017220 961886094 /nfs/dbraw/zinc/88/60/94/961886094.db2.gz RKIACFDIYCTAQC-AWEZNQCLSA-N -1 0 348.468 3.640 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000262848871 961916218 /nfs/dbraw/zinc/91/62/18/961916218.db2.gz BGKJOQRIBQSHBQ-ZIAGYGMSSA-N -1 0 337.847 3.622 20 0 EHADRM CC(C)(C)c1ccc2cc(C(=O)N3CCC[C@@H]3CC(=O)[O-])[nH]c2c1 ZINC000262861055 961926116 /nfs/dbraw/zinc/92/61/16/961926116.db2.gz FDQDGROQVKSMJD-CQSZACIVSA-N -1 0 328.412 3.545 20 0 EHADRM Cc1nc2scc(-c3ccccc3)c2c(N2CCC[C@H]2C(=O)[O-])n1 ZINC001335631281 961938326 /nfs/dbraw/zinc/93/83/26/961938326.db2.gz MEMBEWXKQYYYPI-AWEZNQCLSA-N -1 0 339.420 3.720 20 0 EHADRM CN(Cc1csc2ccccc12)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001574022508 961974136 /nfs/dbraw/zinc/97/41/36/961974136.db2.gz NYRCBXQMKCACKF-UHFFFAOYSA-N -1 0 341.392 3.658 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)CCCC1 ZINC000262902784 961980644 /nfs/dbraw/zinc/98/06/44/961980644.db2.gz MKNUMVTUTRRKDE-MSOLQXFVSA-N -1 0 337.419 3.847 20 0 EHADRM CCc1occc1C(=O)N[C@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC000262915598 961996542 /nfs/dbraw/zinc/99/65/42/961996542.db2.gz DWLPKUCPNCNQBK-WMLDXEAASA-N -1 0 341.407 3.535 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)NC[C@H]2CCCC[C@H]2c2ccccc2)C1 ZINC001574567214 962042628 /nfs/dbraw/zinc/04/26/28/962042628.db2.gz CYUYOPNFEWMYSV-BDXSIMOUSA-N -1 0 344.455 3.513 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N[C@H](C2CCC2)C2CCCC2)cc1 ZINC001574574482 962074955 /nfs/dbraw/zinc/07/49/55/962074955.db2.gz XMYIPZNJKPJNOE-KRWDZBQOSA-N -1 0 330.428 3.543 20 0 EHADRM C[C@@H](CC1CCCCC1)C(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC000262985537 962077334 /nfs/dbraw/zinc/07/73/34/962077334.db2.gz JVOCOUPKNHOGTO-GJZGRUSLSA-N -1 0 347.455 3.934 20 0 EHADRM CC[C@@H](CCc1ccccc1)NC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001339924951 962085311 /nfs/dbraw/zinc/08/53/11/962085311.db2.gz DTJODZAIUSYHKO-MSOLQXFVSA-N -1 0 346.471 3.684 20 0 EHADRM CC(C)CCc1nc(CN[C@@H](Cc2ccccc2)C(=O)[O-])cs1 ZINC001588872576 962094807 /nfs/dbraw/zinc/09/48/07/962094807.db2.gz TYSFNDYKRLXFKN-INIZCTEOSA-N -1 0 332.469 3.517 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)c1cccc(Oc2ccccn2)c1 ZINC001574580383 962103314 /nfs/dbraw/zinc/10/33/14/962103314.db2.gz NKWVZVKUENEPDY-UHFFFAOYSA-N -1 0 348.358 3.502 20 0 EHADRM CC(C)COc1ccccc1[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[O-] ZINC001588880432 962137901 /nfs/dbraw/zinc/13/79/01/962137901.db2.gz LXLRWTBAVYLWIF-ZBFHGGJFSA-N -1 0 335.444 3.646 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)CCCOc2ccc(F)cc2)cc1 ZINC000263042355 962166627 /nfs/dbraw/zinc/16/66/27/962166627.db2.gz DBFFOZYYTNJNAJ-ZDUSSCGKSA-N -1 0 345.370 3.812 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-] ZINC000263054196 962188988 /nfs/dbraw/zinc/18/89/88/962188988.db2.gz WSWYVJKULGKNKB-BMFZPTHFSA-N -1 0 343.448 3.662 20 0 EHADRM C[C@H](CC1CCCC1)C(=O)N[C@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC000263107007 962258071 /nfs/dbraw/zinc/25/80/71/962258071.db2.gz RNACTIRKINBFPF-ZIAGYGMSSA-N -1 0 333.428 3.544 20 0 EHADRM CC(C)Cc1ccc(CCCC(=O)NC2(CC(=O)[O-])CCC2)cc1 ZINC001588906284 962279447 /nfs/dbraw/zinc/27/94/47/962279447.db2.gz WHNJTJTWWATFHO-UHFFFAOYSA-N -1 0 331.456 3.721 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)NCCC(C)(C)C(=O)[O-])cc1 ZINC000263133595 962286455 /nfs/dbraw/zinc/28/64/55/962286455.db2.gz WDJDGLSCYMXNTE-UHFFFAOYSA-N -1 0 331.437 3.954 20 0 EHADRM CC(C)(CCNC(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)[O-] ZINC000263173678 962327245 /nfs/dbraw/zinc/32/72/45/962327245.db2.gz YYKFUNHUBPMFBD-UHFFFAOYSA-N -1 0 347.386 3.635 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC000263181710 962337320 /nfs/dbraw/zinc/33/73/20/962337320.db2.gz LSIWRLOVTXBBGJ-KGLIPLIRSA-N -1 0 333.453 3.680 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000263182497 962337918 /nfs/dbraw/zinc/33/79/18/962337918.db2.gz LSIWRLOVTXBBGJ-ZIAGYGMSSA-N -1 0 333.453 3.680 20 0 EHADRM Cc1ccc(SC2CCCC2)c(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)c1 ZINC000263189548 962345845 /nfs/dbraw/zinc/34/58/45/962345845.db2.gz MITHZICZQNQNFI-DZGCQCFKSA-N -1 0 347.480 3.965 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CCCCC1 ZINC001574641079 962353710 /nfs/dbraw/zinc/35/37/10/962353710.db2.gz NNNICDRLKPCQBN-UHFFFAOYSA-N -1 0 345.395 3.702 20 0 EHADRM CCCCCC(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC000263217638 962371038 /nfs/dbraw/zinc/37/10/38/962371038.db2.gz PXJQDGMPXIJXIS-UHFFFAOYSA-N -1 0 332.425 3.705 20 0 EHADRM C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263234960 962382423 /nfs/dbraw/zinc/38/24/23/962382423.db2.gz MXRZZFGMFUTHPZ-VTCYXGNWSA-N -1 0 344.455 3.643 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)C[C@@H]2CCCc3ccccc32)s1 ZINC000263252531 962394300 /nfs/dbraw/zinc/39/43/00/962394300.db2.gz SYRXBZUAUISFJP-ZDUSSCGKSA-N -1 0 329.421 3.573 20 0 EHADRM Cc1ccccc1C(C)(C)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000263278041 962416903 /nfs/dbraw/zinc/41/69/03/962416903.db2.gz WWXHGAKNGHPXLE-UHFFFAOYSA-N -1 0 329.371 3.678 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000263286505 962425435 /nfs/dbraw/zinc/42/54/35/962425435.db2.gz KQNNGSULJMVCLH-UHFFFAOYSA-N -1 0 346.427 3.789 20 0 EHADRM CCc1c(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)cnn1C(C)(C)C ZINC000263294397 962434755 /nfs/dbraw/zinc/43/47/55/962434755.db2.gz MSTFBEDJSWLZKW-LBPRGKRZSA-N -1 0 343.427 3.641 20 0 EHADRM Cc1c(F)cccc1C(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC000263295381 962437532 /nfs/dbraw/zinc/43/75/32/962437532.db2.gz ZLSBGTRLDJLTDL-UHFFFAOYSA-N -1 0 329.371 3.641 20 0 EHADRM CC(C)Nc1ccc(F)cc1NC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001588928475 962453407 /nfs/dbraw/zinc/45/34/07/962453407.db2.gz YNTLGWRFTLTZJY-YVMONPNESA-N -1 0 332.331 3.589 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2Cc3ccccc3-c3ccccc3C2)C1 ZINC000263332780 962479421 /nfs/dbraw/zinc/47/94/21/962479421.db2.gz QHLZRVMQFLYEDF-LSDHHAIUSA-N -1 0 335.403 3.697 20 0 EHADRM COc1cccc([C@H]2CCCN2C(=O)c2cc(C)cc(C(=O)[O-])c2)c1 ZINC000263334394 962481320 /nfs/dbraw/zinc/48/13/20/962481320.db2.gz QPEMEZLFFUKTML-GOSISDBHSA-N -1 0 339.391 3.679 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000263337102 962485454 /nfs/dbraw/zinc/48/54/54/962485454.db2.gz WMONXQZIJGEJOX-SECBINFHSA-N -1 0 335.400 3.674 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@H]2C[C@]23CCc2ccccc23)cc1 ZINC000263345111 962497274 /nfs/dbraw/zinc/49/72/74/962497274.db2.gz TVABVOROMQYXCD-NVMYHKGLSA-N -1 0 335.403 3.717 20 0 EHADRM CC(C)OCc1ccc(NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC001588935704 962500932 /nfs/dbraw/zinc/50/09/32/962500932.db2.gz XZVRXXPBEMVDNH-OAHLLOKOSA-N -1 0 348.443 3.720 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)Nc2c(F)cc(Cl)cc2F)co1 ZINC001574667185 962524732 /nfs/dbraw/zinc/52/47/32/962524732.db2.gz KQPZASVDFMFQNO-UPHRSURJSA-N -1 0 327.670 3.561 20 0 EHADRM Cc1oc(CN(C)C(=O)c2coc(C3CCCCC3)n2)cc1C(=O)[O-] ZINC001350760307 962573377 /nfs/dbraw/zinc/57/33/77/962573377.db2.gz XBTVHEUXEIFRTE-UHFFFAOYSA-N -1 0 346.383 3.594 20 0 EHADRM COc1ccsc1C(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1 ZINC000263408995 962573923 /nfs/dbraw/zinc/57/39/23/962573923.db2.gz LPHKTBORRFWQNX-CYBMUJFWSA-N -1 0 339.457 3.690 20 0 EHADRM Cc1ccc2[nH]c([C@H]3CCCN3C(=O)c3ccc(C(=O)[O-])cc3)nc2c1 ZINC000263420280 962591544 /nfs/dbraw/zinc/59/15/44/962591544.db2.gz KYKFOJWRSBKXNG-QGZVFWFLSA-N -1 0 349.390 3.547 20 0 EHADRM CN(C(=O)CCc1ccc(-c2ccccc2)o1)C(C)(C)CC(=O)[O-] ZINC001351152500 962608095 /nfs/dbraw/zinc/60/80/95/962608095.db2.gz FJZSFMMTNDOGNF-UHFFFAOYSA-N -1 0 329.396 3.591 20 0 EHADRM CCOc1ccc(NC(=O)c2c(C)coc2CC(=O)[O-])cc1Cl ZINC000263451166 962639852 /nfs/dbraw/zinc/63/98/52/962639852.db2.gz SMNXWACEGDWJMM-UHFFFAOYSA-N -1 0 337.759 3.520 20 0 EHADRM CC(C)c1cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)c2ccccc2n1 ZINC001588964148 962644689 /nfs/dbraw/zinc/64/46/89/962644689.db2.gz SWIZWUDUBQMSEE-ZIAGYGMSSA-N -1 0 340.423 3.684 20 0 EHADRM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2c(C)coc2CC(=O)[O-])o1 ZINC000263472328 962657866 /nfs/dbraw/zinc/65/78/66/962657866.db2.gz YHPHXHLJQHROCC-SMDDNHRTSA-N -1 0 345.395 3.730 20 0 EHADRM CC(C)c1ccc2c(c1)CN(C(=O)[C@]1(C(=O)[O-])CC=CCC1)CC2 ZINC001588969597 962665121 /nfs/dbraw/zinc/66/51/21/962665121.db2.gz KVAGJTGWGBDFEI-FQEVSTJZSA-N -1 0 327.424 3.506 20 0 EHADRM CC(C)c1cccc2c1CCN(C(=O)[C@@H](C(=O)[O-])C1CCCC1)C2 ZINC001588969900 962667110 /nfs/dbraw/zinc/66/71/10/962667110.db2.gz TXFODBYPOMPREE-SFHVURJKSA-N -1 0 329.440 3.586 20 0 EHADRM CC(C)c1csc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)n1 ZINC001588975430 962692257 /nfs/dbraw/zinc/69/22/57/962692257.db2.gz XTMQVJGEULVRKU-OLZOCXBDSA-N -1 0 345.424 3.701 20 0 EHADRM O=C([O-])CCNC(=O)c1cc(Cl)ccc1SC1CCCC1 ZINC001574709638 962697165 /nfs/dbraw/zinc/69/71/65/962697165.db2.gz NLXNJKSWKLSJME-UHFFFAOYSA-N -1 0 327.833 3.579 20 0 EHADRM C[C@H](CCC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000263520672 962700531 /nfs/dbraw/zinc/70/05/31/962700531.db2.gz HCMJSXDZSCEFJQ-IIBYNOLFSA-N -1 0 339.435 3.729 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000263518639 962700695 /nfs/dbraw/zinc/70/06/95/962700695.db2.gz FYOIWLISKVLDPL-QRVBRYPASA-N -1 0 335.403 3.793 20 0 EHADRM Cc1cc(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)c(C)n1C1CC1 ZINC001354063718 962711152 /nfs/dbraw/zinc/71/11/52/962711152.db2.gz PFXTVXATSWAYQD-UHFFFAOYSA-N -1 0 347.440 3.970 20 0 EHADRM CC(C)(CC(=O)Nc1ccc(OCCCC(=O)[O-])cc1)C(F)(F)F ZINC000263547950 962721163 /nfs/dbraw/zinc/72/11/63/962721163.db2.gz UXQAAZQHHZYTPK-UHFFFAOYSA-N -1 0 347.333 3.847 20 0 EHADRM O=C([O-])c1cccc(C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000263552523 962725687 /nfs/dbraw/zinc/72/56/87/962725687.db2.gz XDKIISMWFQJUHO-CXAGYDPISA-N -1 0 327.355 3.590 20 0 EHADRM C[C@H](CC(=O)Nc1cc(C(=O)[O-])ccn1)Cc1ccc(Cl)cc1 ZINC001588994373 962828751 /nfs/dbraw/zinc/82/87/51/962828751.db2.gz QRWFETYNLIULOB-NSHDSACASA-N -1 0 332.787 3.641 20 0 EHADRM CC(C)CC1(C(=O)N2CCC(c3cc(C(=O)[O-])on3)CC2)CCCC1 ZINC001526739180 962889341 /nfs/dbraw/zinc/88/93/41/962889341.db2.gz GFINAWLZNKASGF-UHFFFAOYSA-N -1 0 348.443 3.685 20 0 EHADRM Cc1cc2cc(C(=O)N3CC[C@@]4(C(=O)[O-])CCC[C@@H]34)oc2cc1C ZINC001549908227 962974972 /nfs/dbraw/zinc/97/49/72/962974972.db2.gz DOWMJKLGNADEDE-APWZRJJASA-N -1 0 327.380 3.519 20 0 EHADRM COc1ccc([C@H](C)OC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1C ZINC001574226158 962975304 /nfs/dbraw/zinc/97/53/04/962975304.db2.gz ORVDIYQSBZGAPP-LZGFCCKTSA-N -1 0 330.336 3.612 20 0 EHADRM CC(C)(CNC(=O)Nc1cccc(CCC(=O)[O-])c1)C1=CCCC1 ZINC000308757625 963299836 /nfs/dbraw/zinc/29/98/36/963299836.db2.gz APKXHHSKFBDGRV-UHFFFAOYSA-N -1 0 330.428 3.962 20 0 EHADRM CCCC[C@@H](C)C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000311362579 963475335 /nfs/dbraw/zinc/47/53/35/963475335.db2.gz BXRCVORHEHNVPT-SECBINFHSA-N -1 0 328.206 3.912 20 0 EHADRM CC(C)c1cc(Br)ccc1OCc1oncc1C(=O)[O-] ZINC000312461413 963564348 /nfs/dbraw/zinc/56/43/48/963564348.db2.gz PSANJAAWKOADLF-UHFFFAOYSA-N -1 0 340.173 3.838 20 0 EHADRM Cc1cc(NC(=O)c2cccc(OC(F)F)c2)sc1C(=O)[O-] ZINC000314074639 963708117 /nfs/dbraw/zinc/70/81/17/963708117.db2.gz UKBVBOPSCUQRTK-UHFFFAOYSA-N -1 0 327.308 3.608 20 0 EHADRM O=C([O-])c1cc(NC(=O)NCc2ccc(Cl)s2)c(F)cc1F ZINC000315352479 963887988 /nfs/dbraw/zinc/88/79/88/963887988.db2.gz HJEUSARIZKKMJA-UHFFFAOYSA-N -1 0 346.742 3.700 20 0 EHADRM Cc1cc(C(=O)[O-])c(NC(=O)CSCc2ccc(F)cc2)s1 ZINC000316202847 963989183 /nfs/dbraw/zinc/98/91/83/963989183.db2.gz CFBYEDFTQWKLQP-UHFFFAOYSA-N -1 0 339.413 3.766 20 0 EHADRM CCC(CC)(NC(=O)CCOc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000316407242 964009112 /nfs/dbraw/zinc/00/91/12/964009112.db2.gz ICPBGWDFSFBEAK-UHFFFAOYSA-N -1 0 348.226 3.522 20 0 EHADRM CC(C)C[C@@H](NC(=O)c1oc2ccccc2c1COC(C)C)C(=O)[O-] ZINC000236615728 967779125 /nfs/dbraw/zinc/77/91/25/967779125.db2.gz KFUUNYDEQZGSJU-OAHLLOKOSA-N -1 0 347.411 3.587 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccccc2OC(F)(F)F)c1 ZINC000238132301 967786160 /nfs/dbraw/zinc/78/61/60/967786160.db2.gz WXMKOPVSWGGFAZ-UHFFFAOYSA-N -1 0 325.242 3.536 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CCC[C@@H](c2ccccc2)CC1 ZINC000262101295 967809458 /nfs/dbraw/zinc/80/94/58/967809458.db2.gz HOJDESPQEMMCTO-QGZVFWFLSA-N -1 0 337.419 3.724 20 0 EHADRM CCc1cc(C)cc(CC)c1NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263066778 967842457 /nfs/dbraw/zinc/84/24/57/967842457.db2.gz GGTYZKZJOYJGOL-CJNGLKHVSA-N -1 0 332.444 3.694 20 0 EHADRM CC[C@H](NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000263377320 967883530 /nfs/dbraw/zinc/88/35/30/967883530.db2.gz WSUUOUGZKVSFKF-KYOSRNDESA-N -1 0 338.835 3.543 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2F)Cc2ccccc21 ZINC000325725137 968040112 /nfs/dbraw/zinc/04/01/12/968040112.db2.gz NYYCABCQWXZAKK-CYBMUJFWSA-N -1 0 348.761 3.695 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000392112440 968196589 /nfs/dbraw/zinc/19/65/89/968196589.db2.gz BPLQVDFSOKGFLH-KBPBESRZSA-N -1 0 334.416 3.583 20 0 EHADRM CCCOc1ccc(NC(=O)[C@H](C(=O)[O-])C(C)C)cc1OCCC ZINC000579126009 968469082 /nfs/dbraw/zinc/46/90/82/968469082.db2.gz IIDMEOIHXOTKGK-MRXNPFEDSA-N -1 0 337.416 3.560 20 0 EHADRM CC1(C)[C@H](C(=O)N2CCC[C@H](CCC(=O)[O-])C2)[C@H]1c1ccccc1 ZINC000630160551 968530080 /nfs/dbraw/zinc/53/00/80/968530080.db2.gz SYYSGUOGXCWUEV-OLMNPRSZSA-N -1 0 329.440 3.530 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000653333876 968666067 /nfs/dbraw/zinc/66/60/67/968666067.db2.gz VAWIVTODLJEVTE-ROUUACIJSA-N -1 0 337.419 3.685 20 0 EHADRM Cc1sc(NC(=O)C2(C(=O)[O-])CCC2)nc1-c1ccc(C)cc1 ZINC000654820982 968678135 /nfs/dbraw/zinc/67/81/35/968678135.db2.gz KSDDVHKRXVRIGI-UHFFFAOYSA-N -1 0 330.409 3.620 20 0 EHADRM CC(C)[C@H](CNC(=O)Cc1coc2ccc3ccccc3c12)C(=O)[O-] ZINC000655571489 968683192 /nfs/dbraw/zinc/68/31/92/968683192.db2.gz JIOWHYIQTFSTTI-INIZCTEOSA-N -1 0 339.391 3.602 20 0 EHADRM CCCCc1oc2ccccc2c1CN(C)C(=O)NC[C@H](C)C(=O)[O-] ZINC000655888156 968705970 /nfs/dbraw/zinc/70/59/70/968705970.db2.gz IBCLESMDBGQDJL-ZDUSSCGKSA-N -1 0 346.427 3.638 20 0 EHADRM O=C([O-])COc1ccc(C(=O)N2CCC[C@H](C3CCCCC3)C2)cc1 ZINC000659785339 968750489 /nfs/dbraw/zinc/75/04/89/968750489.db2.gz OLADDWZPFYYTLI-KRWDZBQOSA-N -1 0 345.439 3.583 20 0 EHADRM O=C([O-])CCCC(=O)N1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000843331250 969237952 /nfs/dbraw/zinc/23/79/52/969237952.db2.gz LDZQENCIQDVKHK-IBGZPJMESA-N -1 0 337.419 3.610 20 0 EHADRM C[C@]1(Cc2ccccc2)CCCN1C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000864144531 969323093 /nfs/dbraw/zinc/32/30/93/969323093.db2.gz YKMZQYQPCRIMIU-WAEYIKQSSA-N -1 0 339.391 3.615 20 0 EHADRM CCCN(CCc1cccs1)C(=O)NCc1ccccc1C(=O)[O-] ZINC000874411436 969390744 /nfs/dbraw/zinc/39/07/44/969390744.db2.gz DLLMIXCGZRYXFC-UHFFFAOYSA-N -1 0 346.452 3.611 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)Nc2ccc([C@@H](F)C(F)(F)F)cc2)C1 ZINC000887394217 969411085 /nfs/dbraw/zinc/41/10/85/969411085.db2.gz IMDACQRDYZWZND-BXUZGUMPSA-N -1 0 348.296 3.588 20 0 EHADRM CCCc1nc(C)c(NC(=O)N2CCC[C@@](CC)(C(=O)[O-])C2)s1 ZINC000926098801 969658477 /nfs/dbraw/zinc/65/84/77/969658477.db2.gz DSPOJTSZRQHFAV-MRXNPFEDSA-N -1 0 339.461 3.513 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001573388008 969809502 /nfs/dbraw/zinc/80/95/02/969809502.db2.gz HJLORFRUMLGRDH-QTIWRUEGSA-N -1 0 337.419 3.557 20 0 EHADRM O=C([O-])Cn1cc(NCCCCc2ccc(Cl)c(Cl)c2)cn1 ZINC001595148388 970309541 /nfs/dbraw/zinc/30/95/41/970309541.db2.gz PVUYXUGHELZZEM-UHFFFAOYSA-N -1 0 342.226 3.709 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cc(F)c(Cl)cc1F ZINC000317053828 970322974 /nfs/dbraw/zinc/32/29/74/970322974.db2.gz KVVWZPSULYSXGD-UHFFFAOYSA-N -1 0 325.698 3.877 20 0 EHADRM Cc1csc(C(=O)[O-])c1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000317899698 970395927 /nfs/dbraw/zinc/39/59/27/970395927.db2.gz MCUQQTVUMPMZPQ-UHFFFAOYSA-N -1 0 340.744 3.569 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCc1csc(-c2ccco2)n1 ZINC000319615405 970554071 /nfs/dbraw/zinc/55/40/71/970554071.db2.gz ZIDWIQHJXGQBEL-UHFFFAOYSA-N -1 0 331.349 3.689 20 0 EHADRM O=C([O-])c1ccc(Cl)c(NC(=O)c2cccc3ncccc32)c1 ZINC000320009527 970600758 /nfs/dbraw/zinc/60/07/58/970600758.db2.gz NJWCEQGZFSWFGO-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@@H]2CCCc3sccc32)ccc1F ZINC000320106339 970614212 /nfs/dbraw/zinc/61/42/12/970614212.db2.gz GERZJNIRRUFHFW-CYBMUJFWSA-N -1 0 334.372 3.785 20 0 EHADRM CC(C)CCC[C@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000320766563 970712293 /nfs/dbraw/zinc/71/22/93/970712293.db2.gz XVAOFPDQZWEDHT-NSHDSACASA-N -1 0 347.864 3.531 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2ccccc2SC(F)F)C1 ZINC000320841295 970721427 /nfs/dbraw/zinc/72/14/27/970721427.db2.gz GCHQHOTUIOOGSG-OAHLLOKOSA-N -1 0 344.383 3.720 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)[C@H](C)Oc2ccc(C)cc2)s1 ZINC000320850268 970723287 /nfs/dbraw/zinc/72/32/87/970723287.db2.gz PNVIEQCUUOJBEY-NSHDSACASA-N -1 0 333.409 3.723 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cc(Cl)nc3ccccc32)c1 ZINC000321194801 970751932 /nfs/dbraw/zinc/75/19/32/970751932.db2.gz WJBOAVMLGVAUGQ-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM CSc1cc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)c(C)o1 ZINC001604962954 972548353 /nfs/dbraw/zinc/54/83/53/972548353.db2.gz LXTQQNSGBNOYKW-GFCCVEGCSA-N -1 0 331.393 3.529 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2ccc3c(c2)CCCN3)cc1 ZINC000393149931 972564912 /nfs/dbraw/zinc/56/49/12/972564912.db2.gz UEDOYUAJHPDUQI-UHFFFAOYSA-N -1 0 338.407 3.659 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1cccc(-c2c(F)cccc2F)c1 ZINC001605831373 972566520 /nfs/dbraw/zinc/56/65/20/972566520.db2.gz NKMFJBREGLAYAG-CJNGLKHVSA-N -1 0 345.345 3.615 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001604999815 972600629 /nfs/dbraw/zinc/60/06/29/972600629.db2.gz XHTKRKPOPIFKGI-FVCCEPFGSA-N -1 0 335.366 3.599 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)[O-])N1C(=O)C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001604999817 972600972 /nfs/dbraw/zinc/60/09/72/972600972.db2.gz XHTKRKPOPIFKGI-YVECIDJPSA-N -1 0 335.366 3.599 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Oc1ccc(Cl)cc1Br ZINC001603323827 972662625 /nfs/dbraw/zinc/66/26/25/972662625.db2.gz JTZTUGYAXDNRNP-CYBMUJFWSA-N -1 0 347.592 3.509 20 0 EHADRM C[C@H](CCC(C)(C)C)NC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000395178103 972779535 /nfs/dbraw/zinc/77/95/35/972779535.db2.gz ZXALCCPHTUNYDJ-CYBMUJFWSA-N -1 0 332.444 3.667 20 0 EHADRM Cc1cc(C)c(/C=C\C(=O)Nc2nc3ccccn3c2C(=O)[O-])cc1C ZINC001605146298 972829344 /nfs/dbraw/zinc/82/93/44/972829344.db2.gz DWIXXZXJEJGUNV-FPLPWBNLSA-N -1 0 349.390 3.610 20 0 EHADRM Cc1cc(C)cc(C[C@H](C)NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC001605151649 972836554 /nfs/dbraw/zinc/83/65/54/972836554.db2.gz SEULYHSDZSBVJZ-DLBZAZTESA-N -1 0 346.471 3.521 20 0 EHADRM Cc1cc(C)c(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1Br ZINC001605153044 972841626 /nfs/dbraw/zinc/84/16/26/972841626.db2.gz QSECWDNKOBRADX-WDEREUQCSA-N -1 0 340.217 3.505 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CCCc3ccccc3C2)cc1 ZINC000396490570 972905440 /nfs/dbraw/zinc/90/54/40/972905440.db2.gz KMHBBAUXJJHHND-CQSZACIVSA-N -1 0 338.407 3.855 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1 ZINC000396538264 972914808 /nfs/dbraw/zinc/91/48/08/972914808.db2.gz ZBVHWNPUZRMKDZ-ZDUSSCGKSA-N -1 0 336.391 3.927 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC000396613880 972923417 /nfs/dbraw/zinc/92/34/17/972923417.db2.gz ICPBJKMGJWJVNR-KBPBESRZSA-N -1 0 326.396 3.800 20 0 EHADRM Cc1cccc(OCCC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c1C ZINC000396637707 972927803 /nfs/dbraw/zinc/92/78/03/972927803.db2.gz PFYVYVGDETWJOY-OAHLLOKOSA-N -1 0 341.407 3.899 20 0 EHADRM Cc1cc(NC(=O)c2noc3c2CCc2ccccc2-3)ccc1C(=O)[O-] ZINC001605212315 972954801 /nfs/dbraw/zinc/95/48/01/972954801.db2.gz WJAYXWBEPNTTLP-UHFFFAOYSA-N -1 0 348.358 3.699 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001605256589 973028438 /nfs/dbraw/zinc/02/84/38/973028438.db2.gz YCZNOVNTJBOIAJ-CYBMUJFWSA-N -1 0 342.395 3.618 20 0 EHADRM Cc1ccc2c(ccc(C)c2C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC001605310176 973134859 /nfs/dbraw/zinc/13/48/59/973134859.db2.gz OWASRTNMWUFDGN-CXAGYDPISA-N -1 0 325.408 3.639 20 0 EHADRM Cc1cccc(-c2nsc(N3CCC(CCC(=O)[O-])CC3)n2)c1 ZINC001605318149 973146440 /nfs/dbraw/zinc/14/64/40/973146440.db2.gz AFEKBHQLIQXLRP-UHFFFAOYSA-N -1 0 331.441 3.595 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC001605320701 973157686 /nfs/dbraw/zinc/15/76/86/973157686.db2.gz YHYSNXUXMMKJPM-TZMCWYRMSA-N -1 0 331.318 3.714 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2cc(-c3ccccc3)ccn2)C(=O)[O-])c1 ZINC001605327737 973171569 /nfs/dbraw/zinc/17/15/69/973171569.db2.gz FKFHZPHFEUNMKX-IBGZPJMESA-N -1 0 346.386 3.613 20 0 EHADRM C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4ncccc4C(=O)[O-])cc3c2C1 ZINC001603435062 973202875 /nfs/dbraw/zinc/20/28/75/973202875.db2.gz XEFMYHWHTRZVMR-LLVKDONJSA-N -1 0 349.390 3.638 20 0 EHADRM Cc1cccc(C)c1CN(CC(C)C)C(=O)NCC1(C(=O)[O-])CCC1 ZINC001605336001 973223698 /nfs/dbraw/zinc/22/36/98/973223698.db2.gz XFVARPPARSNIRG-UHFFFAOYSA-N -1 0 346.471 3.726 20 0 EHADRM O=C([O-])CC1(Nc2ccnc(CSc3ccccc3)n2)CCC1 ZINC001606084745 973243729 /nfs/dbraw/zinc/24/37/29/973243729.db2.gz GFFGRNPJKFQMOU-UHFFFAOYSA-N -1 0 329.425 3.578 20 0 EHADRM Cc1cccc2cc(C(=O)N3CCC[C@H](C)[C@@H]3C(=O)[O-])c(Cl)nc12 ZINC001605349706 973246655 /nfs/dbraw/zinc/24/66/55/973246655.db2.gz BAGFJXJLGFRDCR-XHDPSFHLSA-N -1 0 346.814 3.522 20 0 EHADRM Cc1ccccc1NC1(CNC(=O)[C@H](C(=O)[O-])C(C)(C)C)CCCC1 ZINC001605356344 973270798 /nfs/dbraw/zinc/27/07/98/973270798.db2.gz QHKBEOAOOUWKJS-MRXNPFEDSA-N -1 0 346.471 3.583 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)CCSc1ccc(Cl)cc1)C(=O)[O-] ZINC000400498843 973291302 /nfs/dbraw/zinc/29/13/02/973291302.db2.gz MOJLUMIAEYEQKI-RISCZKNCSA-N -1 0 343.876 3.828 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)N1CCC(Cc2ccccc2)CC1)C(=O)[O-] ZINC000400690131 973308921 /nfs/dbraw/zinc/30/89/21/973308921.db2.gz BBVUDUFLOLZPKH-CRAIPNDOSA-N -1 0 346.471 3.540 20 0 EHADRM CC[C@H](C)C[C@@H](NC(=O)c1cc(Cl)nc(C(C)(C)C)c1)C(=O)[O-] ZINC000400755957 973312790 /nfs/dbraw/zinc/31/27/90/973312790.db2.gz XNMUHXPXJKPLPT-CMPLNLGQSA-N -1 0 340.851 3.652 20 0 EHADRM Cc1coc(C)c1C(=O)N1C[C@@H](CCC(=O)[O-])Cc2ccccc21 ZINC001605381812 973346744 /nfs/dbraw/zinc/34/67/44/973346744.db2.gz WTMVDNKRSHTODC-AWEZNQCLSA-N -1 0 327.380 3.580 20 0 EHADRM Cc1ccc(CCC(=O)N[C@H](CC(C)(C)C)C(=O)[O-])cc1Cl ZINC000401384063 973360447 /nfs/dbraw/zinc/36/04/47/973360447.db2.gz PROCQCUKPYQRRJ-CQSZACIVSA-N -1 0 325.836 3.587 20 0 EHADRM O=C([O-])CCNC(=O)N[C@@H](c1cccc(Cl)c1)C1CCCCC1 ZINC001606192441 973444812 /nfs/dbraw/zinc/44/48/12/973444812.db2.gz MTUWNEDRIWXMBO-MRXNPFEDSA-N -1 0 338.835 3.735 20 0 EHADRM O=C([O-])CCc1cccc(NCc2nccn2Cc2ccccc2)c1 ZINC001606216248 973468848 /nfs/dbraw/zinc/46/88/48/973468848.db2.gz QQVMULPBBPKAJG-UHFFFAOYSA-N -1 0 335.407 3.561 20 0 EHADRM Cc1nsc(C)c1C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001605455322 973543002 /nfs/dbraw/zinc/54/30/02/973543002.db2.gz IULKLMMQUGBVMC-UHFFFAOYSA-N -1 0 336.438 3.651 20 0 EHADRM Cc1occc1-c1cc(NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])no1 ZINC001605459764 973548469 /nfs/dbraw/zinc/54/84/69/973548469.db2.gz LGZHMMMHHMQHAG-GFCCVEGCSA-N -1 0 349.387 3.644 20 0 EHADRM O=C([O-])c1ccnc(Nc2ccc3c(c2)CCCCC3)c1[N+](=O)[O-] ZINC000404560302 973734617 /nfs/dbraw/zinc/73/46/17/973734617.db2.gz RXZJXXVAZJLVJR-UHFFFAOYSA-N -1 0 327.340 3.701 20 0 EHADRM CC[C@H](NC(=O)c1cc(C)cc(C(=O)[O-])c1)c1ccccc1OC ZINC001603583001 973747068 /nfs/dbraw/zinc/74/70/68/973747068.db2.gz WFUQIMJYYLMFJE-INIZCTEOSA-N -1 0 327.380 3.583 20 0 EHADRM COCc1c2ccccc2oc1C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001604641000 973774985 /nfs/dbraw/zinc/77/49/85/973774985.db2.gz YXMGORHYWVUSPH-UHFFFAOYSA-N -1 0 340.331 3.634 20 0 EHADRM CC[C@H](OCCNC(=O)Nc1ccccc1C(=O)[O-])c1ccccc1 ZINC001603593395 973802592 /nfs/dbraw/zinc/80/25/92/973802592.db2.gz CXUQNNOKLIADRC-KRWDZBQOSA-N -1 0 342.395 3.674 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@@H](C)c2ccccc2Cl)cc1 ZINC000107946726 1014141925 /nfs/dbraw/zinc/14/19/25/1014141925.db2.gz MFVJZBDOMGNEOK-XMHCIUCPSA-N -1 0 335.856 3.633 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)[C@H]2CCc3ccccc3O2)c1Cl ZINC001606459062 973905804 /nfs/dbraw/zinc/90/58/04/973905804.db2.gz RNRGPCTUVZJFFU-CYBMUJFWSA-N -1 0 349.745 3.510 20 0 EHADRM O=C([O-])c1cc(NC(=O)N(Cc2cccc(F)c2)C2CCC2)ccn1 ZINC001606466444 973942110 /nfs/dbraw/zinc/94/21/10/973942110.db2.gz SXYIMXKLKGZQPN-UHFFFAOYSA-N -1 0 343.358 3.506 20 0 EHADRM O=C([O-])c1ccc(CNCc2c(F)cccc2Cl)nc1C1CC1 ZINC000417708899 973966554 /nfs/dbraw/zinc/96/65/54/973966554.db2.gz SFMFZLSALVTGRH-UHFFFAOYSA-N -1 0 334.778 3.740 20 0 EHADRM CCCCCC[C@@H](C)CC(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001603640949 973986717 /nfs/dbraw/zinc/98/67/17/973986717.db2.gz JGVYZELGWLCGEV-HITAIPBASA-N -1 0 339.476 3.512 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc3ccc(C(F)(F)F)cc3[nH]2)nc1 ZINC001606500997 973988276 /nfs/dbraw/zinc/98/82/76/973988276.db2.gz SKNGAJFVEAGQBC-UHFFFAOYSA-N -1 0 349.268 3.532 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc2c(c1)C(=O)CCCC2)C(=O)[O-] ZINC000424392886 974026865 /nfs/dbraw/zinc/02/68/65/974026865.db2.gz VAXAMKPOXJEFEY-UHFFFAOYSA-N -1 0 346.427 3.608 20 0 EHADRM CCC(CC)(CNC(=O)N[C@@H](C)c1ccccc1SC)C(=O)[O-] ZINC000424445863 974035109 /nfs/dbraw/zinc/03/51/09/974035109.db2.gz FIYQKFHTILUSMF-LBPRGKRZSA-N -1 0 338.473 3.660 20 0 EHADRM CC[C@H](Cc1ccccc1C)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000425239409 974039579 /nfs/dbraw/zinc/03/95/79/974039579.db2.gz KMMOUYMZKAUCBD-OAHLLOKOSA-N -1 0 341.407 3.666 20 0 EHADRM COc1ccc(N(C(=O)c2cccc(C(=O)[O-])c2)C(C)C)cc1F ZINC001604806448 974043553 /nfs/dbraw/zinc/04/35/53/974043553.db2.gz RGSNQCMYGHRTCT-UHFFFAOYSA-N -1 0 331.343 3.588 20 0 EHADRM O=C([O-])[C@H](Cc1ccccc1)[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000426682122 974044093 /nfs/dbraw/zinc/04/40/93/974044093.db2.gz FSVGBVFYERUBDW-HNNXBMFYSA-N -1 0 344.461 3.657 20 0 EHADRM O=C([O-])[C@H](NCc1nc(-c2ccccc2)cs1)c1ccccc1F ZINC000426768749 974047014 /nfs/dbraw/zinc/04/70/14/974047014.db2.gz BVBBDJITNWQRGO-QGZVFWFLSA-N -1 0 342.395 3.865 20 0 EHADRM COCc1cc(NC(=O)c2c(C)[nH]c3ccccc32)cc(C(=O)[O-])c1 ZINC000427685175 974055108 /nfs/dbraw/zinc/05/51/08/974055108.db2.gz LCGRLDBKJLOGDA-UHFFFAOYSA-N -1 0 338.363 3.573 20 0 EHADRM C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 ZINC000427964730 974059133 /nfs/dbraw/zinc/05/91/33/974059133.db2.gz JYPRANVJTIFEMF-LBPRGKRZSA-N -1 0 329.396 3.789 20 0 EHADRM O=C(/C=C\c1ccc(C(=O)[O-])o1)NCCCCCc1ccccc1 ZINC001605660707 974063643 /nfs/dbraw/zinc/06/36/43/974063643.db2.gz ZHERRHVNSIKPFT-QBFSEMIESA-N -1 0 327.380 3.520 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)NCc3ccc(C(=O)[O-])o3)s2)o1 ZINC000431532819 974067834 /nfs/dbraw/zinc/06/78/34/974067834.db2.gz YTBUEJRHHGQJJL-UHFFFAOYSA-N -1 0 331.349 3.538 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)o1 ZINC001605668095 974069449 /nfs/dbraw/zinc/06/94/49/974069449.db2.gz OBBYISDWZBOUIL-JSUZLTTRSA-N -1 0 345.782 3.707 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)NCC2(C(=O)[O-])CCCCC2)cc1 ZINC000431874162 974077763 /nfs/dbraw/zinc/07/77/63/974077763.db2.gz XFGDJEQHHMPWNG-UHFFFAOYSA-N -1 0 333.428 3.629 20 0 EHADRM O=C([O-])c1coc(C(=O)N2CCc3cc(-c4ccccc4)ccc32)c1 ZINC000432091663 974085506 /nfs/dbraw/zinc/08/55/06/974085506.db2.gz GHPXMEPLSVEKAD-UHFFFAOYSA-N -1 0 333.343 3.848 20 0 EHADRM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000439792087 974110139 /nfs/dbraw/zinc/11/01/39/974110139.db2.gz MDWIRHVSVOUELS-GUYCJALGSA-N -1 0 327.380 3.900 20 0 EHADRM C[C@H](C(=O)N[C@@](C)(CC(=O)[O-])c1cccc(F)c1)c1ccccc1F ZINC000448988576 974129275 /nfs/dbraw/zinc/12/92/75/974129275.db2.gz DXBQCOMSWKUOGA-BUXKBTBVSA-N -1 0 347.361 3.575 20 0 EHADRM Cc1ccc(C)c([C@H](C)N(C)C(=O)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000448989882 974129528 /nfs/dbraw/zinc/12/95/28/974129528.db2.gz HKLHYXXTEUBHBH-HNNXBMFYSA-N -1 0 325.408 3.764 20 0 EHADRM Cc1ccc(C(=O)N[C@@](C)(CC(=O)[O-])c2cccc(F)c2)c(C)c1 ZINC000449005805 974144300 /nfs/dbraw/zinc/14/43/00/974144300.db2.gz XDNZZCLUTTUVOG-IBGZPJMESA-N -1 0 329.371 3.562 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000450522574 974146749 /nfs/dbraw/zinc/14/67/49/974146749.db2.gz YGZVIWGZORPOTG-AUUYWEPGSA-N -1 0 328.412 3.548 20 0 EHADRM Cc1cc(C)c(C(=O)N[C@@H](C)[C@H](Cc2ccccc2)C(=O)[O-])c(C)c1 ZINC000455931104 974172019 /nfs/dbraw/zinc/17/20/19/974172019.db2.gz IPALLHYESIKWDJ-WMZOPIPTSA-N -1 0 339.435 3.674 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc(C(=O)[O-])cc1F ZINC000478848391 974211005 /nfs/dbraw/zinc/21/10/05/974211005.db2.gz BCYBMLSYFQCXNM-INIZCTEOSA-N -1 0 343.398 3.926 20 0 EHADRM C[C@]1(NC(=O)c2ccc(C(=O)[O-])cc2F)CCCc2ccccc21 ZINC000478845961 974211435 /nfs/dbraw/zinc/21/14/35/974211435.db2.gz QCHFIKRUYMEHTP-IBGZPJMESA-N -1 0 327.355 3.505 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])cc2F)[C@@H]1c1cccc(F)c1 ZINC000478857693 974213468 /nfs/dbraw/zinc/21/34/68/974213468.db2.gz ULTOTVJPTRMSFO-DIFFPNOSSA-N -1 0 345.345 3.886 20 0 EHADRM CCSc1ccc(Cl)cc1[N-]S(=O)(=O)C[C@@H](CC)OC ZINC000421143508 1028129915 /nfs/dbraw/zinc/12/99/15/1028129915.db2.gz ANYVIKPMLOXCGY-LLVKDONJSA-N -1 0 337.894 3.619 20 0 EHADRM CCc1ccc([C@@H]2CN([C@H](C)c3ccc(C(=O)[O-])o3)CCO2)cc1 ZINC000514791405 974292596 /nfs/dbraw/zinc/29/25/96/974292596.db2.gz RGZWFLWJFOVWKI-ACJLOTCBSA-N -1 0 329.396 3.675 20 0 EHADRM O=C([O-])[C@H](c1c(F)cccc1Cl)N1CCC(C(F)(F)F)CC1 ZINC000516975816 974313242 /nfs/dbraw/zinc/31/32/42/974313242.db2.gz HYLUGPLWYCAPDJ-LBPRGKRZSA-N -1 0 339.716 3.879 20 0 EHADRM CCC[C@H]1CCC[C@@H]1C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000519427068 974329121 /nfs/dbraw/zinc/32/91/21/974329121.db2.gz XLRFOGRTNMWXMY-WMZOPIPTSA-N -1 0 347.455 3.763 20 0 EHADRM O=C([O-])c1ccc(CN2CCC(C(=O)c3ccccc3)CC2)c(F)c1 ZINC000520416856 974339137 /nfs/dbraw/zinc/33/91/37/974339137.db2.gz WALIBOLWLGPJGB-UHFFFAOYSA-N -1 0 341.382 3.619 20 0 EHADRM Cc1ccc(C(C)(C)C)cc1S([O-])=CC(=O)N1CCC(C)CC1 ZINC000107958975 1014185704 /nfs/dbraw/zinc/18/57/04/1014185704.db2.gz AATAMYWGPQBBOI-HSZRJFAPSA-N -1 0 335.513 3.659 20 0 EHADRM CCOc1ccc(CCC(=O)Nc2c(C)cccc2C(=O)[O-])cc1 ZINC001603861697 974365516 /nfs/dbraw/zinc/36/55/16/974365516.db2.gz ZONLUUCPGNAVCB-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM CCOc1ccc([C@@H](C)OC(=O)c2coc(/C=C\C(=O)[O-])c2)cc1 ZINC001603869528 974372217 /nfs/dbraw/zinc/37/22/17/974372217.db2.gz KKBUUQKEWNDXSK-JLVNDZCYSA-N -1 0 330.336 3.694 20 0 EHADRM O=C([O-])CC1(CNC(=O)CCc2ccc(Cl)s2)CCCCC1 ZINC000538576916 974390957 /nfs/dbraw/zinc/39/09/57/974390957.db2.gz FRZSTWZXJRXHIX-UHFFFAOYSA-N -1 0 343.876 3.876 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)c2cc3cc(Cl)ccc3o2)c1 ZINC000539677756 974399827 /nfs/dbraw/zinc/39/98/27/974399827.db2.gz LHYNQLFEKSIPIE-UHFFFAOYSA-N -1 0 343.766 3.757 20 0 EHADRM CC(C)Oc1ccccc1C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000539678092 974399892 /nfs/dbraw/zinc/39/98/92/974399892.db2.gz HFUNIFBQDRSYHH-UHFFFAOYSA-N -1 0 333.428 3.629 20 0 EHADRM CC(C)Oc1cccc(CC(=O)NCC2(CC(=O)[O-])CCCCC2)c1 ZINC000540776891 974409679 /nfs/dbraw/zinc/40/96/79/974409679.db2.gz PZYDZYVTKDEZII-UHFFFAOYSA-N -1 0 347.455 3.558 20 0 EHADRM O=C([O-])c1coc(C(=O)NCC2(c3cccc(Cl)c3)CCCC2)c1 ZINC000541834770 974412958 /nfs/dbraw/zinc/41/29/58/974412958.db2.gz LBWVLYWPPWWITC-UHFFFAOYSA-N -1 0 347.798 3.873 20 0 EHADRM CC[C@@H]1CC[C@H](C)N(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)C1 ZINC001603918771 974414761 /nfs/dbraw/zinc/41/47/61/974414761.db2.gz MNNYKSZGIRZYDR-NSNWQYSKSA-N -1 0 330.428 3.520 20 0 EHADRM Cc1c(C(=O)Nc2ccc(C)cc2C(=O)[O-])cnn1-c1ccccc1C ZINC000542518310 974415129 /nfs/dbraw/zinc/41/51/29/974415129.db2.gz JXKGCKSRCVMFSY-UHFFFAOYSA-N -1 0 349.390 3.748 20 0 EHADRM CCc1ccc2nc(NC(=O)[C@H](C(=O)[O-])C3CCCC3)sc2c1 ZINC001603975573 974468698 /nfs/dbraw/zinc/46/86/98/974468698.db2.gz VULASBCBBUMDAR-CQSZACIVSA-N -1 0 332.425 3.688 20 0 EHADRM C[C@H](CC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)C1CCCCC1 ZINC000558138675 974493256 /nfs/dbraw/zinc/49/32/56/974493256.db2.gz NPEFYMBVZZEOLN-QRWLVFNGSA-N -1 0 331.456 3.752 20 0 EHADRM Cc1cccc(C2(C(=O)NCC3(CC(=O)[O-])CCCCC3)CC2)c1 ZINC000558136895 974493470 /nfs/dbraw/zinc/49/34/70/974493470.db2.gz VRRSICQDGWNSFB-UHFFFAOYSA-N -1 0 329.440 3.568 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)c1ncnc2sc3c(c21)CCC3 ZINC000558179995 974494451 /nfs/dbraw/zinc/49/44/51/974494451.db2.gz DOMTVRJXRCNDMX-UHFFFAOYSA-N -1 0 339.420 3.515 20 0 EHADRM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[C@@H](C)CC(=O)[O-] ZINC000563422400 974530766 /nfs/dbraw/zinc/53/07/66/974530766.db2.gz FZGNDXIAYSOHSN-SNVBAGLBSA-N -1 0 332.227 3.843 20 0 EHADRM CC(C)(c1ccccc1)C1(NC(=O)c2ccc(C(=O)[O-])s2)CC1 ZINC000563976744 974542524 /nfs/dbraw/zinc/54/25/24/974542524.db2.gz OMSIYKZEKFMDSQ-UHFFFAOYSA-N -1 0 329.421 3.687 20 0 EHADRM Cc1ccc(NC(=O)CCCOc2ccccc2F)c(C(=O)[O-])c1 ZINC000564687617 974551855 /nfs/dbraw/zinc/55/18/55/974551855.db2.gz SHSUCXFAWGROGS-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)CSc1ccc2ccccc2c1)CC1CC1 ZINC000565087369 974567059 /nfs/dbraw/zinc/56/70/59/974567059.db2.gz LHACSNDJNRVLKZ-MRXNPFEDSA-N -1 0 343.448 3.549 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1Cc1noc(-c2ccccc2)n1 ZINC000566510045 974615126 /nfs/dbraw/zinc/61/51/26/974615126.db2.gz ICROUAYUYJJUGD-IRXDYDNUSA-N -1 0 349.390 3.527 20 0 EHADRM O=C([O-])[C@@H](c1c(F)cccc1Cl)N1CCc2sccc2C1 ZINC000569130768 974685867 /nfs/dbraw/zinc/68/58/67/974685867.db2.gz QUVPNQMMRJZGMB-CQSZACIVSA-N -1 0 325.792 3.725 20 0 EHADRM CCOc1ccc(C(C)=O)cc1CN(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000571337944 974727708 /nfs/dbraw/zinc/72/77/08/974727708.db2.gz VUXBJUQJKSBJJT-UHFFFAOYSA-N -1 0 345.395 3.520 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)c1cc2cc(C(F)(F)F)ccc2s1 ZINC000573625332 974769105 /nfs/dbraw/zinc/76/91/05/974769105.db2.gz GFSUNPDCEMCSPZ-SSDOTTSWSA-N -1 0 331.315 3.513 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1cccc(COc2cccc(F)c2)c1 ZINC000573981141 974775244 /nfs/dbraw/zinc/77/52/44/974775244.db2.gz JIXDLPMAJFBVTR-ZDUSSCGKSA-N -1 0 345.370 3.844 20 0 EHADRM COc1ccc(Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)c(O)c1 ZINC001211487821 1014215460 /nfs/dbraw/zinc/21/54/60/1014215460.db2.gz QVGSNKHPEOOPAW-UHFFFAOYSA-N -1 0 327.258 3.861 20 0 EHADRM COc1ccc(-c2nc(CN([C@H](C)C(=O)[O-])C3CCC3)cs2)cc1 ZINC000575003966 974793835 /nfs/dbraw/zinc/79/38/35/974793835.db2.gz ZZUAQHFDJBNIPU-GFCCVEGCSA-N -1 0 346.452 3.646 20 0 EHADRM C[C@@H]1CN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC(C)(C)O1 ZINC000575874912 974803167 /nfs/dbraw/zinc/80/31/67/974803167.db2.gz LYXPLYBIXBHRLF-RNCFNFMXSA-N -1 0 332.227 3.618 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000577746763 974841734 /nfs/dbraw/zinc/84/17/34/974841734.db2.gz FYVXJSPAHGGZEA-LLVKDONJSA-N -1 0 343.345 3.702 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H](c3ccccc3)C2)c(F)c1 ZINC000577769120 974842273 /nfs/dbraw/zinc/84/22/73/974842273.db2.gz AKJJBWKKYJWPET-HNNXBMFYSA-N -1 0 327.355 3.544 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000581022381 974903701 /nfs/dbraw/zinc/90/37/01/974903701.db2.gz UAQKVHXEYLVJNL-GFCCVEGCSA-N -1 0 339.382 3.737 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CN1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000581829728 974916743 /nfs/dbraw/zinc/91/67/43/974916743.db2.gz IBBYKSCONSURSU-MRXNPFEDSA-N -1 0 349.427 3.776 20 0 EHADRM C[C@@](CNC(=O)/C=C\c1ccc(Cl)s1)(C(=O)[O-])c1ccccc1 ZINC000588617228 974966929 /nfs/dbraw/zinc/96/69/29/974966929.db2.gz LBKMWJVNVPAWTP-PXAMLJHWSA-N -1 0 349.839 3.573 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)c2ccnc(C3CC3)c2)c1 ZINC000600870806 975008486 /nfs/dbraw/zinc/00/84/86/975008486.db2.gz VUOFEKNVYBRXEQ-UHFFFAOYSA-N -1 0 342.420 3.529 20 0 EHADRM CCC(CC)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000621553413 975030765 /nfs/dbraw/zinc/03/07/65/975030765.db2.gz ZNHRXIFNNRUFHF-UHFFFAOYSA-N -1 0 333.306 3.701 20 0 EHADRM C[C@H](C(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1)c1cccs1 ZINC000621588316 975045957 /nfs/dbraw/zinc/04/59/57/975045957.db2.gz VXETTZZJWQQKDX-QEJZJMRPSA-N -1 0 329.421 3.669 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC000621608265 975057265 /nfs/dbraw/zinc/05/72/65/975057265.db2.gz NTNAUCLNMLOOQM-YWPYICTPSA-N -1 0 346.452 3.848 20 0 EHADRM CC[C@H](CC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC000621610474 975059126 /nfs/dbraw/zinc/05/91/26/975059126.db2.gz KHQBBRRRVSTRKW-VXGBXAGGSA-N -1 0 332.425 3.602 20 0 EHADRM CC(C)[C@H](CC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC000621610410 975059436 /nfs/dbraw/zinc/05/94/36/975059436.db2.gz IUFWIGKDLCRIFL-JSGCOSHPSA-N -1 0 346.452 3.848 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C2CCC2)cc1)c1ncc(C(=O)[O-])s1 ZINC000621612323 975061288 /nfs/dbraw/zinc/06/12/88/975061288.db2.gz YEIVQNYTVGEUCH-SNVBAGLBSA-N -1 0 330.409 3.600 20 0 EHADRM O=C([O-])C[C@H](NC(=O)CC1CCC(F)(F)CC1)c1ccc(F)cc1 ZINC000630099089 975100560 /nfs/dbraw/zinc/10/05/60/975100560.db2.gz XONXABIVMSZTON-AWEZNQCLSA-N -1 0 343.345 3.673 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1)c1cccs1 ZINC000630102790 975102061 /nfs/dbraw/zinc/10/20/61/975102061.db2.gz WACVGWXYCFMUBY-ILXRZTDVSA-N -1 0 347.411 3.713 20 0 EHADRM Cc1cc(C(=O)N(Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)oc1C(=O)[O-] ZINC000630106985 975103791 /nfs/dbraw/zinc/10/37/91/975103791.db2.gz OLGUXQLZUAIAMS-HZMBPMFUSA-N -1 0 343.379 3.807 20 0 EHADRM Cc1cc(C(=O)NCC(C)(C)c2ccccc2Cl)oc1C(=O)[O-] ZINC000630117332 975108480 /nfs/dbraw/zinc/10/84/80/975108480.db2.gz NNVKNPYRMDMZOM-UHFFFAOYSA-N -1 0 335.787 3.647 20 0 EHADRM CC[C@H]1CCCC[C@H]1C(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC000630132754 975117735 /nfs/dbraw/zinc/11/77/35/975117735.db2.gz VFGUPNLEROKHLY-WCQYABFASA-N -1 0 335.400 3.557 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)C1 ZINC000630155410 975132829 /nfs/dbraw/zinc/13/28/29/975132829.db2.gz AEDMPPWGXBFEIA-OIISXLGYSA-N -1 0 347.430 3.669 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)C2(C)CCC(F)(F)CC2)C1 ZINC000630155424 975133003 /nfs/dbraw/zinc/13/30/03/975133003.db2.gz AFBIFOFOJAAKQN-LBPRGKRZSA-N -1 0 331.403 3.551 20 0 EHADRM Cc1ccc2occ(CC(=O)N3CCC[C@@H](C(C)(C)C(=O)[O-])C3)c2c1 ZINC000630157593 975134350 /nfs/dbraw/zinc/13/43/50/975134350.db2.gz OEVIUTPCUNNIEU-OAHLLOKOSA-N -1 0 343.423 3.633 20 0 EHADRM CC[C@@H](CC(=O)N(C)Cc1ccc(OCC(=O)[O-])cc1)C(C)(C)C ZINC000630160333 975136228 /nfs/dbraw/zinc/13/62/28/975136228.db2.gz AGPHLJSCTNHPEK-HNNXBMFYSA-N -1 0 335.444 3.571 20 0 EHADRM Cc1cc(C(F)F)oc1C(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-] ZINC000630185188 975146923 /nfs/dbraw/zinc/14/69/23/975146923.db2.gz LIKVZMGLOGGDQM-LLVKDONJSA-N -1 0 337.322 3.641 20 0 EHADRM CCC[C@H](OCC)C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC000630189817 975148947 /nfs/dbraw/zinc/14/89/47/975148947.db2.gz NCEWZBGIFVUVLS-ROUUACIJSA-N -1 0 343.423 3.677 20 0 EHADRM Cc1cc(C(=O)N2CC[C@@H](c3ccccc3)C2(C)C)oc1C(=O)[O-] ZINC000630196114 975153821 /nfs/dbraw/zinc/15/38/21/975153821.db2.gz YDGSVPSWAZTPMG-AWEZNQCLSA-N -1 0 327.380 3.695 20 0 EHADRM C[C@@H](NC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)c1ncc(C(=O)[O-])s1 ZINC000630218462 975164774 /nfs/dbraw/zinc/16/47/74/975164774.db2.gz DVMLSTVSVHVJGU-MRVWCRGKSA-N -1 0 344.436 3.602 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CCCC(F)(F)CC1)C(=O)[O-] ZINC000630240287 975184881 /nfs/dbraw/zinc/18/48/81/975184881.db2.gz AGGPBFOCWXVMHZ-NSHDSACASA-N -1 0 343.395 3.513 20 0 EHADRM CCCC[C@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F ZINC000630255702 975198771 /nfs/dbraw/zinc/19/87/71/975198771.db2.gz NOQFMPBSZPXRMI-JTQLQIEISA-N -1 0 329.343 3.794 20 0 EHADRM CC[C@@H](CC(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1)C(C)C ZINC000630258090 975201077 /nfs/dbraw/zinc/20/10/77/975201077.db2.gz JKLQEARESTVQMQ-NEPJUHHUSA-N -1 0 325.380 3.688 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCCCCc2cccs2)[C@@H]2CCC[C@H]21 ZINC000630277319 975221927 /nfs/dbraw/zinc/22/19/27/975221927.db2.gz FSNFXLVFADKGHU-GVDBMIGSSA-N -1 0 349.496 3.953 20 0 EHADRM Cc1cc(Cl)c(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)cc1C ZINC000630280654 975225337 /nfs/dbraw/zinc/22/53/37/975225337.db2.gz AAEPAECFIILXNN-DVOMOZLQSA-N -1 0 335.831 3.672 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3cc(Cl)ccc3o2)[C@@H]2CCC[C@@H]21 ZINC000630283344 975228093 /nfs/dbraw/zinc/22/80/93/975228093.db2.gz SFSPAVUUKFEPFK-MGPQQGTHSA-N -1 0 347.798 3.802 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000630285903 975230209 /nfs/dbraw/zinc/23/02/09/975230209.db2.gz SYARQIMRFKQGGF-ZQIUZPCESA-N -1 0 340.423 3.500 20 0 EHADRM CCCN(Cc1ccc(F)cc1)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000630289586 975232364 /nfs/dbraw/zinc/23/23/64/975232364.db2.gz DXIOXNUMPJAYLZ-UHFFFAOYSA-N -1 0 329.371 3.505 20 0 EHADRM CC[C@H](c1ccccc1OC)N(C)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000630296451 975236404 /nfs/dbraw/zinc/23/64/04/975236404.db2.gz WTHXQZFYXYDBPN-QGZVFWFLSA-N -1 0 341.407 3.546 20 0 EHADRM C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000630299075 975238534 /nfs/dbraw/zinc/23/85/34/975238534.db2.gz IKULLFMQKVUDAO-IIVZCXTMSA-N -1 0 329.440 3.707 20 0 EHADRM COc1ccc(N(CC2CC2)C(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000630316049 975249069 /nfs/dbraw/zinc/24/90/69/975249069.db2.gz JOXMTDZWVBWHIN-UHFFFAOYSA-N -1 0 343.354 3.589 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)CCc2ccccc2F)cc1 ZINC000630327484 975254401 /nfs/dbraw/zinc/25/44/01/975254401.db2.gz JKVLDABZYHTGSZ-JKSUJKDBSA-N -1 0 327.355 3.585 20 0 EHADRM O=C([O-])CC1(CC(=O)N(CCC(F)(F)F)CC2CC2)CCCC1 ZINC000634901471 975280727 /nfs/dbraw/zinc/28/07/27/975280727.db2.gz ICLNLQNVWKSHSL-UHFFFAOYSA-N -1 0 335.366 3.603 20 0 EHADRM CCC(CC)[C@@H]1C[C@@H](NC(=O)CC2(CC(=O)[O-])CCCC2)CCO1 ZINC000634907529 975280790 /nfs/dbraw/zinc/28/07/90/975280790.db2.gz NXAMXYPKNABGEL-HOTGVXAUSA-N -1 0 339.476 3.512 20 0 EHADRM CCC(CC)[C@H]1C[C@@H](NC(=O)CC2(CC(=O)[O-])CCCC2)CCO1 ZINC000634907531 975280815 /nfs/dbraw/zinc/28/08/15/975280815.db2.gz NXAMXYPKNABGEL-JKSUJKDBSA-N -1 0 339.476 3.512 20 0 EHADRM CC1(C)CN(C(=O)CC2(CC(=O)[O-])CCCC2)CC[C@@H]1C(F)(F)F ZINC000634920989 975281142 /nfs/dbraw/zinc/28/11/42/975281142.db2.gz WTUBJIOWCBFALY-LBPRGKRZSA-N -1 0 349.393 3.849 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@H](c2ccccc2)C(C)C)c(C)c1 ZINC000107968638 1014250103 /nfs/dbraw/zinc/25/01/03/1014250103.db2.gz MHWVSMIGKGUARY-RDPSFJRHSA-N -1 0 343.492 3.925 20 0 EHADRM C[C@H]1SCC[C@H]1NC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000649265679 975406079 /nfs/dbraw/zinc/40/60/79/975406079.db2.gz MVAIXXJPOIIBPZ-SJKOYZFVSA-N -1 0 341.432 3.676 20 0 EHADRM CCC[C@H](C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1)C(C)C ZINC000649358514 975407384 /nfs/dbraw/zinc/40/73/84/975407384.db2.gz XPEMELLNOCIPGJ-AWEZNQCLSA-N -1 0 342.439 3.823 20 0 EHADRM CC(C)Nc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])cn1 ZINC001591668023 975423725 /nfs/dbraw/zinc/42/37/25/975423725.db2.gz NRRSMXRIKQAHLC-UHFFFAOYSA-N -1 0 333.775 3.506 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2CC[C@H](C)CC2)cc1 ZINC000652061792 975463871 /nfs/dbraw/zinc/46/38/71/975463871.db2.gz PGGYNXIHSBROSK-NOLJZWGESA-N -1 0 335.469 3.867 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC000652099218 975496167 /nfs/dbraw/zinc/49/61/67/975496167.db2.gz RITMCDRJDWNCTR-CQSZACIVSA-N -1 0 337.847 3.526 20 0 EHADRM CCN(Cc1c(Br)cccc1C(=O)[O-])CC(F)(F)F ZINC000652395311 975521211 /nfs/dbraw/zinc/52/12/11/975521211.db2.gz NEKKEPBPFGIOHC-UHFFFAOYSA-N -1 0 340.139 3.532 20 0 EHADRM O=C([O-])c1ccc(CN2CCOC[C@H]2c2ccccc2)cc1Cl ZINC000652428993 975528493 /nfs/dbraw/zinc/52/84/93/975528493.db2.gz QWBRXLYGZCNSKA-KRWDZBQOSA-N -1 0 331.799 3.612 20 0 EHADRM CC(C)O[C@@H]1C[C@H](Nc2cc(C(F)(F)F)c(C(=O)[O-])cn2)C1(C)C ZINC001591696261 975532344 /nfs/dbraw/zinc/53/23/44/975532344.db2.gz QIKVZKPAKSPFAQ-NWDGAFQWSA-N -1 0 346.349 3.803 20 0 EHADRM CC(C)O[C@@H]1C[C@@H](Nc2cc(C(F)(F)F)c(C(=O)[O-])cn2)C1(C)C ZINC001591696266 975532696 /nfs/dbraw/zinc/53/26/96/975532696.db2.gz QIKVZKPAKSPFAQ-VXGBXAGGSA-N -1 0 346.349 3.803 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(Cc1nc(C3CCCCC3)cs1)CC2 ZINC000652479525 975547938 /nfs/dbraw/zinc/54/79/38/975547938.db2.gz ZQEGGCUREISHNO-AWEZNQCLSA-N -1 0 334.485 3.878 20 0 EHADRM Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC000653642940 975610797 /nfs/dbraw/zinc/61/07/97/975610797.db2.gz HJZRWCITBDNJAK-IBGZPJMESA-N -1 0 337.419 3.908 20 0 EHADRM C[C@]1(Cc2ccccc2)CCCN1C(=O)c1cccc(CC(=O)[O-])c1 ZINC000653644992 975613879 /nfs/dbraw/zinc/61/38/79/975613879.db2.gz GDSXIHVTKTVDLC-OAQYLSRUSA-N -1 0 337.419 3.551 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1cccc(CC(=O)[O-])c1 ZINC000653644459 975613913 /nfs/dbraw/zinc/61/39/13/975613913.db2.gz NUKGECMAJCNAEA-OLZOCXBDSA-N -1 0 341.382 3.601 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000655553330 975628010 /nfs/dbraw/zinc/62/80/10/975628010.db2.gz IVLCGVAJWYIDKG-UHFFFAOYSA-N -1 0 338.835 3.914 20 0 EHADRM O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)c1s[n-]c(=O)c1Cl ZINC000339353632 1014273414 /nfs/dbraw/zinc/27/34/14/1014273414.db2.gz XCWXSGULWYZNCB-UHFFFAOYSA-N -1 0 344.730 3.568 20 0 EHADRM O=C([O-])[C@]1(C(F)(F)F)CCN(C(=O)CCC2CCCCCC2)C1 ZINC000656243952 975655008 /nfs/dbraw/zinc/65/50/08/975655008.db2.gz JEANTFDBBUYMDD-HNNXBMFYSA-N -1 0 335.366 3.603 20 0 EHADRM O=C([O-])CCCCCNC(=O)c1cc2cc(Cl)ccc2s1 ZINC000659129467 975729380 /nfs/dbraw/zinc/72/93/80/975729380.db2.gz RIPVPUIJIYQIDN-UHFFFAOYSA-N -1 0 325.817 3.930 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)C[C@]23CCCC[C@H]2C3(F)F)c1 ZINC000659146973 975747822 /nfs/dbraw/zinc/74/78/22/975747822.db2.gz MNNSYVQHKQEPCR-RHSMWYFYSA-N -1 0 337.366 3.858 20 0 EHADRM CC(C)Oc1c(NC(=O)N[C@@H]2CCC[C@H](F)C2)cccc1C(=O)[O-] ZINC001591743760 975761995 /nfs/dbraw/zinc/76/19/95/975761995.db2.gz BRELTLVQYGLJCG-NWDGAFQWSA-N -1 0 338.379 3.574 20 0 EHADRM CC(C)Oc1c(NC(=O)N2CC[C@@H](C)[C@@H](C)C2)cccc1C(=O)[O-] ZINC001591744771 975772736 /nfs/dbraw/zinc/77/27/36/975772736.db2.gz SVOMFQPUJOKDIB-OLZOCXBDSA-N -1 0 334.416 3.682 20 0 EHADRM CC(C)[C@H](NC(=O)Cc1ccccc1C(=O)[O-])c1ccccc1F ZINC000659179601 975774083 /nfs/dbraw/zinc/77/40/83/975774083.db2.gz MJWQPBDSHMALEO-SFHVURJKSA-N -1 0 329.371 3.580 20 0 EHADRM O=C([O-])c1ccc2c(c1)[C@H](CNC(=O)CCc1cccs1)CCC2 ZINC000659186163 975783085 /nfs/dbraw/zinc/78/30/85/975783085.db2.gz XBQCGBOGQLFOHJ-HNNXBMFYSA-N -1 0 343.448 3.615 20 0 EHADRM CSc1ccccc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000659194703 975795688 /nfs/dbraw/zinc/79/56/88/975795688.db2.gz MNFOIXKVWPKAHT-YDHLFZDLSA-N -1 0 333.453 3.514 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)NC[C@@H](CC(=O)[O-])C2CC2)cc1 ZINC000659206395 975815867 /nfs/dbraw/zinc/81/58/67/975815867.db2.gz JPLVIDPFLDASPA-OAHLLOKOSA-N -1 0 343.448 3.954 20 0 EHADRM Cc1cc(C(=O)N[C@@](C)(CCF)C(=O)[O-])c(C)n1C1CCCCC1 ZINC000659212141 975823177 /nfs/dbraw/zinc/82/31/77/975823177.db2.gz JBQKWGFYICIWRL-SFHVURJKSA-N -1 0 338.423 3.543 20 0 EHADRM CC(C)Oc1cc(O)ccc1NC(=O)Nc1cc(C(=O)[O-])cs1 ZINC001591756997 975830588 /nfs/dbraw/zinc/83/05/88/975830588.db2.gz QTPHYUWTYNTFAS-UHFFFAOYSA-N -1 0 336.369 3.583 20 0 EHADRM CCC[C@@H](C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)c1ccc(Cl)cc1 ZINC000659224950 975837335 /nfs/dbraw/zinc/83/73/35/975837335.db2.gz AIMVWKLOOJDMDE-UHOFOFEASA-N -1 0 337.847 3.793 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)NCc1ccc(C(=O)[O-])cc1F ZINC000659226175 975838494 /nfs/dbraw/zinc/83/84/94/975838494.db2.gz WNOIOYASFACIQB-LBPRGKRZSA-N -1 0 347.361 3.548 20 0 EHADRM CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)NCCCCC(=O)[O-] ZINC000666542949 975969215 /nfs/dbraw/zinc/96/92/15/975969215.db2.gz PKXCAFCAPMWJQG-YJBOKZPZSA-N -1 0 332.444 3.500 20 0 EHADRM CC(C)Oc1ccc(NC(=O)c2cc3c(o2)CCCC3)c(C(=O)[O-])c1 ZINC001591788265 975970505 /nfs/dbraw/zinc/97/05/05/975970505.db2.gz XSCMMLPXMSBWAF-UHFFFAOYSA-N -1 0 343.379 3.896 20 0 EHADRM CC(C)Oc1ccc(NC(=O)c2onc3ccccc32)c(C(=O)[O-])c1 ZINC001591788315 975971702 /nfs/dbraw/zinc/97/17/02/975971702.db2.gz AFGQLZCHJBYNKK-UHFFFAOYSA-N -1 0 340.335 3.566 20 0 EHADRM O=C([O-])CCCCNC(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000666557531 975971729 /nfs/dbraw/zinc/97/17/29/975971729.db2.gz MVNRLOCOBFSEJV-KRWDZBQOSA-N -1 0 330.428 3.568 20 0 EHADRM O=C([O-])CCCCNC(=O)N1CCC[C@H]1c1cccc2ccccc21 ZINC000666558658 975973593 /nfs/dbraw/zinc/97/35/93/975973593.db2.gz UHBZERBHHBQKET-SFHVURJKSA-N -1 0 340.423 3.941 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2cccc([C@@H]3CCCOC3)c2)c1 ZINC000668273061 975979716 /nfs/dbraw/zinc/97/97/16/975979716.db2.gz RKKKKKXPLLBBOB-MRXNPFEDSA-N -1 0 325.364 3.531 20 0 EHADRM CC(C)(c1ccc(C(=O)N[C@@H](CC2CC2)C(=O)[O-])cc1)C(F)(F)F ZINC000668281273 975983524 /nfs/dbraw/zinc/98/35/24/975983524.db2.gz QSQRELVVIPXRQU-ZDUSSCGKSA-N -1 0 343.345 3.510 20 0 EHADRM CC(C)(Cc1ccc(C(F)(F)F)cc1)NC(=O)CCCCC(=O)[O-] ZINC000668318919 975996239 /nfs/dbraw/zinc/99/62/39/975996239.db2.gz YBAHBBHTBOJCOT-UHFFFAOYSA-N -1 0 345.361 3.788 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)C[C@@H](C)C2CCCCC2)cc1 ZINC000675947251 976017605 /nfs/dbraw/zinc/01/76/05/976017605.db2.gz WEXQNYKELNBFRC-KDOFPFPSSA-N -1 0 347.455 3.934 20 0 EHADRM CCCc1ccc(C(=O)N(CCC(=O)[O-])Cc2ccccc2)cc1 ZINC000675947981 976018292 /nfs/dbraw/zinc/01/82/92/976018292.db2.gz VNYWVAOHXMFIJI-UHFFFAOYSA-N -1 0 325.408 3.756 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccc(NC3CCCCC3)cc2)n1 ZINC000675961946 976020895 /nfs/dbraw/zinc/02/08/95/976020895.db2.gz QGRYKJBUAIVJKR-UHFFFAOYSA-N -1 0 339.395 3.777 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC000675993765 976025103 /nfs/dbraw/zinc/02/51/03/976025103.db2.gz QMCKSGJLKQNDHV-UHFFFAOYSA-N -1 0 338.473 3.609 20 0 EHADRM O=C([O-])C1(CNC(=O)C2(c3cccc(Cl)c3)CCCC2)CCCC1 ZINC000676024148 976027720 /nfs/dbraw/zinc/02/77/20/976027720.db2.gz YVTBPXWWWAHZAK-UHFFFAOYSA-N -1 0 349.858 3.913 20 0 EHADRM Cc1cc(C(=O)NCC2(C(=O)[O-])CCCC2)c(C)n1C1CCCCC1 ZINC000676024122 976028262 /nfs/dbraw/zinc/02/82/62/976028262.db2.gz YITMHQZQUBSSOL-UHFFFAOYSA-N -1 0 346.471 3.985 20 0 EHADRM Cc1ccc(NC(=O)c2ccccc2OC2CCC2)cc1C(=O)[O-] ZINC000676025814 976029066 /nfs/dbraw/zinc/02/90/66/976029066.db2.gz GJUXWSPSIDOWDX-UHFFFAOYSA-N -1 0 325.364 3.877 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001591804380 976029369 /nfs/dbraw/zinc/02/93/69/976029369.db2.gz FNOPPAMYPGKHIK-UHFFFAOYSA-N -1 0 342.395 3.536 20 0 EHADRM CC[C@H](C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccc(F)cc1 ZINC000683323540 976086469 /nfs/dbraw/zinc/08/64/69/976086469.db2.gz CKJZJMOGPVMFQS-ZBFHGGJFSA-N -1 0 335.419 3.669 20 0 EHADRM Cc1nc(C(=O)NCc2c3ccccc3sc2C(=O)[O-])c(C)s1 ZINC000683315309 976086499 /nfs/dbraw/zinc/08/64/99/976086499.db2.gz YGYUJLPAGSYOFS-UHFFFAOYSA-N -1 0 346.433 3.603 20 0 EHADRM CC(C)Sc1ccccc1C(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001591829538 976093218 /nfs/dbraw/zinc/09/32/18/976093218.db2.gz PEVLAAIPVCULPW-UHFFFAOYSA-N -1 0 347.411 3.954 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CC(=O)N2CCC[C@H]2CC(=O)[O-])c2ccccc21 ZINC001591845908 976125068 /nfs/dbraw/zinc/12/50/68/976125068.db2.gz GKDZJDQTHTUEEX-MPGHIAIKSA-N -1 0 329.440 3.769 20 0 EHADRM CC(C)c1c(NCc2ccc(C(=O)[O-])o2)cnn1-c1ccccc1 ZINC001591923062 976399286 /nfs/dbraw/zinc/39/92/86/976399286.db2.gz JRPLXQWWZGVOSJ-UHFFFAOYSA-N -1 0 325.368 3.899 20 0 EHADRM CC(C)c1c(NCc2cccc(C(=O)[O-])n2)cnn1-c1ccccc1 ZINC001591923366 976400738 /nfs/dbraw/zinc/40/07/38/976400738.db2.gz NMPFINJBZMBXNQ-UHFFFAOYSA-N -1 0 336.395 3.701 20 0 EHADRM CC(C)c1cc(NC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)ccc1O ZINC001591934698 976444077 /nfs/dbraw/zinc/44/40/77/976444077.db2.gz AFEQINSLDMUDCX-UZLBHIALSA-N -1 0 339.391 3.713 20 0 EHADRM CC(C)c1ccc(C(=O)N[C@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC001591941736 976462469 /nfs/dbraw/zinc/46/24/69/976462469.db2.gz GGUTTZGTUIUAJK-DNVCBOLYSA-N -1 0 339.435 3.872 20 0 EHADRM CC(C)c1ccc([C@H]2CCCN2C(=O)NC2CC(CC(=O)[O-])C2)cc1 ZINC001591948112 976496692 /nfs/dbraw/zinc/49/66/92/976496692.db2.gz BBHXXKQOYBEBCJ-IUPXNIOVSA-N -1 0 344.455 3.910 20 0 EHADRM CC(C)c1ccc([C@H](C)SCCc2cn(CC(=O)[O-])nn2)cc1 ZINC001591949585 976508144 /nfs/dbraw/zinc/50/81/44/976508144.db2.gz WYUITKJYYJLIEM-ZDUSSCGKSA-N -1 0 333.457 3.523 20 0 EHADRM CC(C)c1ccc(N(CCCO)Cc2ccc(C(=O)[O-])s2)cc1 ZINC001591957629 976532561 /nfs/dbraw/zinc/53/25/61/976532561.db2.gz VSQODCYLVKFIEH-UHFFFAOYSA-N -1 0 333.453 3.959 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccn1)CC2 ZINC001591973509 976576567 /nfs/dbraw/zinc/57/65/67/976576567.db2.gz CBLGYMRWCCAUKN-INIZCTEOSA-N -1 0 339.395 3.712 20 0 EHADRM CC(C)c1ccc2c(c1)[C@@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C)CCC2 ZINC001591981166 976596327 /nfs/dbraw/zinc/59/63/27/976596327.db2.gz QEKZQQHPUZNZLR-QBIMZIAESA-N -1 0 344.455 3.692 20 0 EHADRM CC(C)c1ccc2cc(C(=O)OCc3ccc(C(=O)[O-])o3)[nH]c2c1 ZINC001591981561 976597304 /nfs/dbraw/zinc/59/73/04/976597304.db2.gz RJPLKNAXWURRAK-UHFFFAOYSA-N -1 0 327.336 3.940 20 0 EHADRM CC(C)c1cccc(-c2ccc(C(=O)N[C@@H](C(=O)[O-])C(C)C)o2)c1 ZINC001591982756 976600377 /nfs/dbraw/zinc/60/03/77/976600377.db2.gz FRJMEPFYEQLWCM-QGZVFWFLSA-N -1 0 329.396 3.909 20 0 EHADRM CC(C)c1cccc(C[S@](=O)CCc2ccccc2C(=O)[O-])c1 ZINC001591992217 976622945 /nfs/dbraw/zinc/62/29/45/976622945.db2.gz RRLKVZHXFHIWNQ-HSZRJFAPSA-N -1 0 330.449 4.000 20 0 EHADRM CC(C)c1cnc(SCCOc2ccc(/C=C/C(=O)[O-])cc2)n1C ZINC001592002893 976656564 /nfs/dbraw/zinc/65/65/64/976656564.db2.gz RJURPIAUCIPQFA-RMKNXTFCSA-N -1 0 346.452 3.812 20 0 EHADRM CC(C)c1csc(NC(=O)NC[C@H](C(=O)[O-])C2CCCCC2)n1 ZINC001592009119 976685187 /nfs/dbraw/zinc/68/51/87/976685187.db2.gz YDXTVYXECMJEEC-LBPRGKRZSA-N -1 0 339.461 3.669 20 0 EHADRM CC(C)c1nn(C)cc1C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001592050221 976787129 /nfs/dbraw/zinc/78/71/29/976787129.db2.gz LEWPNVCUJISCDP-UHFFFAOYSA-N -1 0 337.379 3.647 20 0 EHADRM CC(C)c1sc(NC(=O)c2c[nH]c3cccc(F)c32)nc1C(=O)[O-] ZINC001592114417 976907416 /nfs/dbraw/zinc/90/74/16/976907416.db2.gz ACBKFUMVBPYBRC-UHFFFAOYSA-N -1 0 347.371 3.837 20 0 EHADRM CC(C)c1sc(NC(=O)c2cc3ccsc3[nH]2)nc1C(=O)[O-] ZINC001592115267 976914603 /nfs/dbraw/zinc/91/46/03/976914603.db2.gz YIOJHYHOXMSZBS-UHFFFAOYSA-N -1 0 335.410 3.760 20 0 EHADRM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001592181470 977105745 /nfs/dbraw/zinc/10/57/45/977105745.db2.gz VFAZKVLQDBJHBD-ZDUSSCGKSA-N -1 0 339.395 3.612 20 0 EHADRM C[C@@H](/C=C/C(=O)[O-])NC(=O)c1ccc(-c2cccc3cccnc32)cc1 ZINC001592202747 977221650 /nfs/dbraw/zinc/22/16/50/977221650.db2.gz DSNCKHKPGAOBGP-GMMCIKNFSA-N -1 0 346.386 3.661 20 0 EHADRM C[C@H](CC(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1)c1ccc(F)cc1 ZINC001592246843 977476676 /nfs/dbraw/zinc/47/66/76/977476676.db2.gz XQETXJFYIJZUMW-BFUOFWGJSA-N -1 0 335.419 3.859 20 0 EHADRM C[C@@H](CC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)C(F)(F)F ZINC001592262095 977506126 /nfs/dbraw/zinc/50/61/26/977506126.db2.gz OGWKWSNNVYAERR-YFKPBYRVSA-N -1 0 327.661 3.704 20 0 EHADRM C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1O)c1c[nH]c2ccccc21 ZINC001592274473 977549051 /nfs/dbraw/zinc/54/90/51/977549051.db2.gz OUWXSLPHVBPVNC-NSHDSACASA-N -1 0 338.363 3.704 20 0 EHADRM C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])n1)Cc1ccc(Cl)cc1 ZINC001592274730 977550808 /nfs/dbraw/zinc/55/08/08/977550808.db2.gz UKVAIUAQRSJHIX-LLVKDONJSA-N -1 0 332.787 3.641 20 0 EHADRM C[C@@H](CC(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1)C(F)(F)F ZINC001592277617 977555550 /nfs/dbraw/zinc/55/55/50/977555550.db2.gz FMJGGJCKJJCNQI-LURJTMIESA-N -1 0 338.351 3.666 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)/C=C\c1cc(Cl)cc(Cl)c1)C1CC1 ZINC001592280264 977567742 /nfs/dbraw/zinc/56/77/42/977567742.db2.gz CKJJDLUDMJIHAR-SVERHTFXSA-N -1 0 342.222 3.766 20 0 EHADRM CSc1cc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])ccc1Cl ZINC000666114418 1032091733 /nfs/dbraw/zinc/09/17/33/1032091733.db2.gz XBTUOMXFJSBQNI-MNOVXSKESA-N -1 0 325.817 3.667 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)OCc1cc(Cl)c(Cl)c(Cl)c1 ZINC001592365392 977864206 /nfs/dbraw/zinc/86/42/06/977864206.db2.gz RZCOIECWWVVJNE-ZCFIWIBFSA-N -1 0 325.575 3.801 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)OCc1cc(Cl)c(Cl)c(Cl)c1 ZINC001592365391 977864346 /nfs/dbraw/zinc/86/43/46/977864346.db2.gz RZCOIECWWVVJNE-LURJTMIESA-N -1 0 325.575 3.801 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)NCC1(c2ccc(F)cc2)CCCCC1 ZINC001592385143 977925344 /nfs/dbraw/zinc/92/53/44/977925344.db2.gz GIJZADZNHLYXCQ-AWEZNQCLSA-N -1 0 335.419 3.645 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cc(Cl)sc1Cl)C1CCCC1 ZINC000718801426 977979025 /nfs/dbraw/zinc/97/90/25/977979025.db2.gz PKTYCKRPFMXKHH-SECBINFHSA-N -1 0 336.240 3.818 20 0 EHADRM C[C@H](CC(=O)O[C@H]1CCC[C@H](C(=O)[O-])C1)c1c[nH]c2ccccc21 ZINC001592429380 978054732 /nfs/dbraw/zinc/05/47/32/978054732.db2.gz KJNPQFXSOBTCPS-RDBSUJKOSA-N -1 0 329.396 3.848 20 0 EHADRM C[C@H](CC(C)(C)C)C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC001592439365 978089677 /nfs/dbraw/zinc/08/96/77/978089677.db2.gz GUWIBIXXYOAHSZ-GHMZBOCLSA-N -1 0 325.380 3.688 20 0 EHADRM C[C@@H](CC(F)(F)F)C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001592451649 978138380 /nfs/dbraw/zinc/13/83/80/978138380.db2.gz DJPAPBVOEGDKLF-GXFFZTMASA-N -1 0 343.345 3.509 20 0 EHADRM C[C@H](CC1CCC1)NC(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001592459512 978178914 /nfs/dbraw/zinc/17/89/14/978178914.db2.gz MQAONYANWTUJGZ-MRVPVSSYSA-N -1 0 328.771 3.878 20 0 EHADRM C[C@H](CCCC(F)(F)F)NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC001592477520 978244299 /nfs/dbraw/zinc/24/42/99/978244299.db2.gz LSPOOXJOQHLUIW-SNVBAGLBSA-N -1 0 344.333 3.531 20 0 EHADRM COc1ccc(CO)c(Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1 ZINC001211490411 1014479014 /nfs/dbraw/zinc/47/90/14/1014479014.db2.gz WWBDDRQOQVMXEZ-UHFFFAOYSA-N -1 0 341.285 3.648 20 0 EHADRM C[C@H](CCNC(=O)NCCc1ccccc1C(=O)[O-])CC(C)(C)C ZINC001592512658 978337467 /nfs/dbraw/zinc/33/74/67/978337467.db2.gz AZZJHAUQTYNDCE-CQSZACIVSA-N -1 0 334.460 3.689 20 0 EHADRM CC[C@@H](NC(=S)N1C[C@@H](C(=O)[O-])c2ccccc21)c1cccs1 ZINC000736920280 978366162 /nfs/dbraw/zinc/36/61/62/978366162.db2.gz QDZYRSBGCLUWLB-CHWSQXEVSA-N -1 0 346.477 3.762 20 0 EHADRM C[C@H](CCOc1ccccc1)C(=O)OC1CCC(CC(=O)[O-])CC1 ZINC001592537461 978412923 /nfs/dbraw/zinc/41/29/23/978412923.db2.gz NEGNMJQREMXVGU-HPUBIQBYSA-N -1 0 334.412 3.668 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)C1CCC(C2CC2)CC1)C(=O)[O-] ZINC001592602858 978542679 /nfs/dbraw/zinc/54/26/79/978542679.db2.gz ZLOLLWQZWSHOMJ-VNCLNFNDSA-N -1 0 343.467 3.952 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1sccc1C1CC1)C(=O)[O-] ZINC001592604666 978546109 /nfs/dbraw/zinc/54/61/09/978546109.db2.gz LDBNCVJVVBTXEQ-ZDUSSCGKSA-N -1 0 343.448 3.989 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)c1ccnc(-c2ccccc2)n1)C(=O)[O-] ZINC001592610359 978562604 /nfs/dbraw/zinc/56/26/04/978562604.db2.gz XPSHFCJNHDHOKU-INIZCTEOSA-N -1 0 347.418 3.871 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)Nc2ccccc2-n2cccn2)c1 ZINC000740039997 978664541 /nfs/dbraw/zinc/66/45/41/978664541.db2.gz CAXXXIHVDBWQIC-UHFFFAOYSA-N -1 0 337.339 3.606 20 0 EHADRM O=C([O-])c1ccc(CNCc2c(Cl)cccc2N2CCCC2)o1 ZINC000756284792 978697042 /nfs/dbraw/zinc/69/70/42/978697042.db2.gz GQQAVADCMMLKOI-UHFFFAOYSA-N -1 0 334.803 3.521 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)cc1 ZINC000766877752 978728342 /nfs/dbraw/zinc/72/83/42/978728342.db2.gz GGMHYKHVZHAMKT-UHFFFAOYSA-N -1 0 348.402 3.886 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N[C@@H]2CCc3ccc(F)cc32)c1 ZINC000811817125 978860646 /nfs/dbraw/zinc/86/06/46/978860646.db2.gz OJVHQDOTJKTFNK-OAHLLOKOSA-N -1 0 333.746 3.595 20 0 EHADRM C[C@@H]1Cc2ccccc2N(C(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000811819929 978864188 /nfs/dbraw/zinc/86/41/88/978864188.db2.gz JXIVTBZFJLBDHZ-LLVKDONJSA-N -1 0 329.783 3.877 20 0 EHADRM Cc1cc(CNC(=O)c2cc(C(=O)[O-])ccc2Cl)ccc1Cl ZINC000811822173 978867217 /nfs/dbraw/zinc/86/72/17/978867217.db2.gz BXVANQQGDOWSCQ-UHFFFAOYSA-N -1 0 338.190 3.930 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)CCCC2CCOCC2)c1 ZINC000828117460 978969609 /nfs/dbraw/zinc/96/96/09/978969609.db2.gz JTQXNUSUCSJEBX-UHFFFAOYSA-N -1 0 325.792 3.574 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828183575 978973270 /nfs/dbraw/zinc/97/32/70/978973270.db2.gz JEAVLTLXEWJEKR-XNJGSVPQSA-N -1 0 341.382 3.931 20 0 EHADRM CC[C@H](C)c1nnc(N2CCC(C(=O)[O-])CC2)n1C[C@H]1CCC[C@@H]1C ZINC001595017137 979076933 /nfs/dbraw/zinc/07/69/33/979076933.db2.gz COAAAWRWZOPJFI-OFQRWUPVSA-N -1 0 348.491 3.529 20 0 EHADRM C[C@](CNC(=O)Nc1cccc(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC001592683422 979112048 /nfs/dbraw/zinc/11/20/48/979112048.db2.gz QHIOKJQLAHHZCJ-QGZVFWFLSA-N -1 0 332.787 3.504 20 0 EHADRM CC[C@@H](C)n1nc(N[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])cc1C ZINC001595024523 979129015 /nfs/dbraw/zinc/12/90/15/979129015.db2.gz XAOLYMQKTNQUFV-IAQYHMDHSA-N -1 0 335.835 3.924 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1C1CC1 ZINC001595027516 979144707 /nfs/dbraw/zinc/14/47/07/979144707.db2.gz XIMOVXHGQXWWHP-FPMFFAJLSA-N -1 0 333.432 3.561 20 0 EHADRM CC[C@H](C)n1nccc1C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001595029061 979155767 /nfs/dbraw/zinc/15/57/67/979155767.db2.gz TYEYYWVIOBMGEU-QMMMGPOBSA-N -1 0 339.754 3.597 20 0 EHADRM CC[C@H](CC(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)[O-])C(C)(C)C ZINC001595033244 979174064 /nfs/dbraw/zinc/17/40/64/979174064.db2.gz GJDUHXABOOGAKG-IAGOWNOFSA-N -1 0 333.472 3.817 20 0 EHADRM CC[C@H](CC(=O)N[C@H](CC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC001595037281 979205231 /nfs/dbraw/zinc/20/52/31/979205231.db2.gz XECBKDNLJCJIHI-MJGOQNOKSA-N -1 0 339.435 3.773 20 0 EHADRM CC[C@@H](CC(F)(F)F)C(=O)N[C@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC001595038711 979208599 /nfs/dbraw/zinc/20/85/99/979208599.db2.gz IFNCTCCJGIIDFE-AAEUAGOBSA-N -1 0 331.334 3.524 20 0 EHADRM CC[C@@H](CC(F)(F)F)C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC001595040108 979220055 /nfs/dbraw/zinc/22/00/55/979220055.db2.gz ZCJLHKLFBMEMHP-JSGCOSHPSA-N -1 0 345.361 3.715 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)NCc2ccc(C(=O)[O-])o2)c1 ZINC000836725373 979249983 /nfs/dbraw/zinc/24/99/83/979249983.db2.gz UJDKTBUJABFTRQ-CYBMUJFWSA-N -1 0 329.396 3.596 20 0 EHADRM CN(C(=O)c1cccc(CC(=O)[O-])c1)c1ccc(C(C)(C)C)cc1 ZINC000836742928 979251765 /nfs/dbraw/zinc/25/17/65/979251765.db2.gz SUPLUMHTRDXBGM-UHFFFAOYSA-N -1 0 325.408 3.888 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)C(F)(F)c1ccc(Cl)cc1 ZINC001595048647 979266948 /nfs/dbraw/zinc/26/69/48/979266948.db2.gz DTVDWGSKEIFENN-UHFFFAOYSA-N -1 0 333.762 3.582 20 0 EHADRM O=C([O-])c1cc(NC(=O)Cc2cccs2)ccc1N1CCCCC1 ZINC000841501296 979302410 /nfs/dbraw/zinc/30/24/10/979302410.db2.gz IWNWUJHEJSKPCF-UHFFFAOYSA-N -1 0 344.436 3.618 20 0 EHADRM CC(C)OCCCC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC000841503695 979305893 /nfs/dbraw/zinc/30/58/93/979305893.db2.gz UPXOEFGDFZPMDR-UHFFFAOYSA-N -1 0 348.443 3.519 20 0 EHADRM CCC(CC)(CCOC(=O)c1ncccc1C(F)(F)F)C(=O)[O-] ZINC001595059453 979306939 /nfs/dbraw/zinc/30/69/39/979306939.db2.gz ATUOLSQPWUGPIK-UHFFFAOYSA-N -1 0 333.306 3.538 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccoc1C1CC1)c1cccc(Cl)c1 ZINC000844155575 979342843 /nfs/dbraw/zinc/34/28/43/979342843.db2.gz SFLQBFJQJXYVSN-AWEZNQCLSA-N -1 0 333.771 3.756 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)C2CCCCCCC2)nc1C1CC1 ZINC000844156795 979345988 /nfs/dbraw/zinc/34/59/88/979345988.db2.gz LIBDNFWLYWITJF-UHFFFAOYSA-N -1 0 330.428 3.634 20 0 EHADRM C[C@H](COCC(=O)Nc1cc(C(=O)[O-])ccc1Cl)c1ccccc1 ZINC001592770404 979382651 /nfs/dbraw/zinc/38/26/51/979382651.db2.gz UQYZODIDTYYFDE-GFCCVEGCSA-N -1 0 347.798 3.797 20 0 EHADRM CCC(CC)(NC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001595092641 979384838 /nfs/dbraw/zinc/38/48/38/979384838.db2.gz BQKNRECXRXAGDU-JTQLQIEISA-N -1 0 331.334 3.569 20 0 EHADRM CCN(C(=O)CCCC(=O)[O-])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000844249903 979393692 /nfs/dbraw/zinc/39/36/92/979393692.db2.gz UMDZSSWFAQUAJQ-NSHDSACASA-N -1 0 331.334 3.870 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1cccc(C2SCCS2)c1 ZINC000848877607 979482344 /nfs/dbraw/zinc/48/23/44/979482344.db2.gz SUDFIXRUPRULQR-JTQLQIEISA-N -1 0 325.455 3.605 20 0 EHADRM CCC(CC)n1ccc(C(=O)NC[C@@H](C(=O)[O-])C2CCCCCC2)n1 ZINC001595121901 979498240 /nfs/dbraw/zinc/49/82/40/979498240.db2.gz DIHRBIPNVQMLMW-MRXNPFEDSA-N -1 0 349.475 3.645 20 0 EHADRM CCC(CC)n1nc(C(=O)N[C@]2(C(=O)[O-])CCCC(C)(C)C2)cc1C ZINC001595124891 979506573 /nfs/dbraw/zinc/50/65/73/979506573.db2.gz TWMIYXPNLGGQQO-LJQANCHMSA-N -1 0 349.475 3.706 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001595126410 979516821 /nfs/dbraw/zinc/51/68/21/979516821.db2.gz RHFQJIHGLCMIAX-UHFFFAOYSA-N -1 0 333.363 3.642 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001595126530 979518924 /nfs/dbraw/zinc/51/89/24/979518924.db2.gz WJHBHEYKEJPBLB-SJLPKXTDSA-N -1 0 349.446 3.934 20 0 EHADRM CC[C@@H]1c2ccccc2CCN1C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC000851602763 979523304 /nfs/dbraw/zinc/52/33/04/979523304.db2.gz ZTGXNLGFWVFWJF-XAVKZTDYSA-N -1 0 325.364 3.527 20 0 EHADRM CC[C@@H](CCc1ccccc1)NC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC001595128189 979524496 /nfs/dbraw/zinc/52/44/96/979524496.db2.gz JYDJPPQWGXXQPA-INIZCTEOSA-N -1 0 329.440 3.549 20 0 EHADRM CC[C@](CNC(=O)c1ccccc1C(C)C)(C(=O)[O-])c1ccccc1 ZINC000851607055 979532768 /nfs/dbraw/zinc/53/27/68/979532768.db2.gz VCVHRNDNFGFXES-OAQYLSRUSA-N -1 0 339.435 3.972 20 0 EHADRM Cc1cc([C@@H](NC(=O)c2ccc(/C=C\C(=O)[O-])o2)C2CC2)ccc1F ZINC000851609619 979537343 /nfs/dbraw/zinc/53/73/43/979537343.db2.gz XZNLGJZXSZOFBJ-KKMIYCERSA-N -1 0 343.354 3.706 20 0 EHADRM O=C([O-])/C=C\c1ccc(C(=O)N(Cc2ccccc2F)CC2CC2)o1 ZINC000851618682 979544650 /nfs/dbraw/zinc/54/46/50/979544650.db2.gz RYDSBNUBWFXWJK-NTMALXAHSA-N -1 0 343.354 3.569 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-] ZINC001592829827 979551223 /nfs/dbraw/zinc/55/12/23/979551223.db2.gz DFVHYCCVBHPARM-GOEBONIOSA-N -1 0 349.496 3.812 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC001592830489 979555908 /nfs/dbraw/zinc/55/59/08/979555908.db2.gz WTJVZRGEAOURAX-WMLDXEAASA-N -1 0 349.496 3.955 20 0 EHADRM C[C@](Cc1ccc(Cl)cc1)(NC(=O)/C=C\c1cccs1)C(=O)[O-] ZINC001592838154 979585965 /nfs/dbraw/zinc/58/59/65/979585965.db2.gz JKVGMOZQCIMBPH-XZVRFQMRSA-N -1 0 349.839 3.617 20 0 EHADRM CC[C@@](CNC(=O)C1CCC(C2CC2)CC1)(C(=O)[O-])c1ccccc1 ZINC001595139137 979587943 /nfs/dbraw/zinc/58/79/43/979587943.db2.gz BNYHFEMSDHITLQ-BPZDKFOGSA-N -1 0 343.467 3.752 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1Cl)Nc1nccnc1C(=O)[O-] ZINC001592839024 979594212 /nfs/dbraw/zinc/59/42/12/979594212.db2.gz JYBCXXJIAFFFCX-QMMMGPOBSA-N -1 0 326.183 3.525 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001592840360 979605490 /nfs/dbraw/zinc/60/54/90/979605490.db2.gz YPXKFUNKGXOVHW-LBPRGKRZSA-N -1 0 343.814 3.817 20 0 EHADRM CC[C@](CNC(=O)Nc1c(C)cccc1F)(C(=O)[O-])c1ccccc1 ZINC001595149214 979633384 /nfs/dbraw/zinc/63/33/84/979633384.db2.gz BMSVJJBXZAKEOR-LJQANCHMSA-N -1 0 344.386 3.688 20 0 EHADRM CCCCC[C@H](NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1)C(C)(C)C ZINC000861452424 979655325 /nfs/dbraw/zinc/65/53/25/979655325.db2.gz UYSXNRCTVAHYPZ-ZNMIVQPWSA-N -1 0 326.481 3.734 20 0 EHADRM CC[C@](CNC(=O)Nc1ccc(Cl)cc1)(C(=O)[O-])c1ccccc1 ZINC001595153754 979655618 /nfs/dbraw/zinc/65/56/18/979655618.db2.gz GPLBHPODFVNHQV-GOSISDBHSA-N -1 0 346.814 3.894 20 0 EHADRM CC[C@@H](CNC(=O)Nc1cccc(-c2ccc(F)c(F)c2)c1)C(=O)[O-] ZINC001595154174 979658165 /nfs/dbraw/zinc/65/81/65/979658165.db2.gz JLJLKFQYFANXLF-NSHDSACASA-N -1 0 348.349 3.864 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)[C@H]2CCCC(F)(F)C2)cc1)C(=O)[O-] ZINC001592858639 979673903 /nfs/dbraw/zinc/67/39/03/979673903.db2.gz RYUVIAWJIPLVJO-AAEUAGOBSA-N -1 0 325.355 3.714 20 0 EHADRM CSCCCCCCC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000864098807 979681782 /nfs/dbraw/zinc/68/17/82/979681782.db2.gz UQMJPYQDSFQGTO-KKUMJFAQSA-N -1 0 327.490 3.544 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)CC[C@@H]2CC2(Cl)Cl)cc1)C(=O)[O-] ZINC001592859794 979683557 /nfs/dbraw/zinc/68/35/57/979683557.db2.gz WPMHTEPVWDHXAB-CMPLNLGQSA-N -1 0 344.238 3.862 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N2CCC[C@H](c3ccccc3)CC2)o1 ZINC000864108025 979697270 /nfs/dbraw/zinc/69/72/70/979697270.db2.gz IZTQSGUNBGWQCU-SLWQEBJJSA-N -1 0 339.391 3.787 20 0 EHADRM CCC[C@](C)(NC(=O)/C=C\c1csc(C(F)(F)F)c1)C(=O)[O-] ZINC000864113176 979705212 /nfs/dbraw/zinc/70/52/12/979705212.db2.gz PVHUQUKGWPGVPE-ZFDPJTLLSA-N -1 0 335.347 3.540 20 0 EHADRM CC[C@@](CNC(=O)c1sccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001595166020 979712016 /nfs/dbraw/zinc/71/20/16/979712016.db2.gz KPXZWMFXEIEJCL-INIZCTEOSA-N -1 0 337.828 3.564 20 0 EHADRM CCO[C@H](C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)C1CCCC1 ZINC000864122807 979720329 /nfs/dbraw/zinc/72/03/29/979720329.db2.gz ZUDNDSLHHKDQNQ-AWEZNQCLSA-N -1 0 325.792 3.572 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)N[C@@H](C)c2cccs2)cc1)C(=O)[O-] ZINC001592872033 979726480 /nfs/dbraw/zinc/72/64/80/979726480.db2.gz IBYVKFXWQFIAQD-NEPJUHHUSA-N -1 0 332.425 3.894 20 0 EHADRM Cc1ccc(C(=O)N(Cc2cccc(F)c2)C2CC2)cc1C(=O)[O-] ZINC000864134586 979736579 /nfs/dbraw/zinc/73/65/79/979736579.db2.gz DTIVZGKBNREOAI-UHFFFAOYSA-N -1 0 327.355 3.637 20 0 EHADRM CCc1cc2c(CC(=O)N3CCC[C@@H]3CC(=O)[O-])csc2s1 ZINC000864146187 979751190 /nfs/dbraw/zinc/75/11/90/979751190.db2.gz VDBKHEGIHXRGJG-LLVKDONJSA-N -1 0 337.466 3.533 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000864149638 979757954 /nfs/dbraw/zinc/75/79/54/979757954.db2.gz UNRJZXWQBVAWLE-PMACEKPBSA-N -1 0 331.456 3.605 20 0 EHADRM O=C([O-])c1coc(/C=C/C(=O)N[C@@H](C2CCCCC2)C(F)(F)F)c1 ZINC000864156722 979768285 /nfs/dbraw/zinc/76/82/85/979768285.db2.gz BBBBSWWVZCZNFP-UZYOAWRESA-N -1 0 345.317 3.618 20 0 EHADRM C[C@@H](Cc1cccc(F)c1)C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC001592885818 979771784 /nfs/dbraw/zinc/77/17/84/979771784.db2.gz TXHJGRUCNPQOFG-GUYCJALGSA-N -1 0 335.419 3.544 20 0 EHADRM C[C@H](Cc1ccccc1)NC(=S)Nc1cccc(CCC(=O)[O-])c1 ZINC001592890588 979778251 /nfs/dbraw/zinc/77/82/51/979778251.db2.gz GLPYQIFJNJFRBE-CQSZACIVSA-N -1 0 342.464 3.621 20 0 EHADRM C[C@@H](Cc1ccccc1Cl)C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-] ZINC001592890665 979779260 /nfs/dbraw/zinc/77/92/60/979779260.db2.gz JKVJAJQNIUHQCH-FZMZJTMJSA-N -1 0 325.836 3.524 20 0 EHADRM C[C@H](Cc1ccccc1)n1cccc1C(=O)NC(C)(C)CCC(=O)[O-] ZINC001592891603 979784252 /nfs/dbraw/zinc/78/42/52/979784252.db2.gz NVJIRHRRTBMWQF-OAHLLOKOSA-N -1 0 342.439 3.665 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000864178205 979823528 /nfs/dbraw/zinc/82/35/28/979823528.db2.gz ZFGRQBHXGVAGNL-MIESEQMUSA-N -1 0 339.391 3.784 20 0 EHADRM CC[C@H](c1ccccc1OC)N(C)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC000864178011 979823821 /nfs/dbraw/zinc/82/38/21/979823821.db2.gz VTZOLJNURAKVNA-HBIYDYFMSA-N -1 0 343.379 3.609 20 0 EHADRM C[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000864189104 979838329 /nfs/dbraw/zinc/83/83/29/979838329.db2.gz JJSPVTSTUAJLCZ-UYHISHBKSA-N -1 0 341.382 3.831 20 0 EHADRM Cc1cc(C(=O)NCc2cc(C(=O)[O-])co2)c(C)n1C1CCCCC1 ZINC000864191472 979847014 /nfs/dbraw/zinc/84/70/14/979847014.db2.gz HMAZFUVNCRVSLQ-UHFFFAOYSA-N -1 0 344.411 3.831 20 0 EHADRM C[C@@H](Cc1cncc2ccccc21)C(=O)Nc1ccsc1C(=O)[O-] ZINC001592908704 979866802 /nfs/dbraw/zinc/86/68/02/979866802.db2.gz HNBDEEXTYAAGHU-NSHDSACASA-N -1 0 340.404 3.812 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N[C@](C)(CC(=O)[O-])C1CC1 ZINC000864198252 979869085 /nfs/dbraw/zinc/86/90/85/979869085.db2.gz SWBZZMJGEVAPCG-GOSISDBHSA-N -1 0 347.436 3.669 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N[C@@](C)(CC(=O)[O-])C1CC1 ZINC000864204200 979885488 /nfs/dbraw/zinc/88/54/88/979885488.db2.gz SOKUORDPADNAJV-KRWDZBQOSA-N -1 0 335.400 3.722 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)C2CCC(C3CC3)CC2)c2ccccc21 ZINC000864228335 979919711 /nfs/dbraw/zinc/91/97/11/979919711.db2.gz NRJGPVFXNSOYDT-GPANFISMSA-N -1 0 327.424 3.808 20 0 EHADRM CCC[C@H](C(=O)N[C@H](CC(=O)[O-])c1cccc(C)c1)c1ccccn1 ZINC000864230811 979928933 /nfs/dbraw/zinc/92/89/33/979928933.db2.gz AWILTIDNLJAWHT-FUHWJXTLSA-N -1 0 340.423 3.606 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC001595212244 979997932 /nfs/dbraw/zinc/99/79/32/979997932.db2.gz YPLKOADUHSVKEZ-PKOBYXMFSA-N -1 0 339.435 3.548 20 0 EHADRM CC(F)(F)CCC(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001592938742 980002162 /nfs/dbraw/zinc/00/21/62/980002162.db2.gz CWYONZYVYGFAPP-LLVKDONJSA-N -1 0 339.260 3.540 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)NCCC[C@@H]1C=CCC1)C(=O)[O-] ZINC000872756159 980141270 /nfs/dbraw/zinc/14/12/70/980141270.db2.gz PQRGHYFEAOVBAV-ZIAGYGMSSA-N -1 0 333.453 3.728 20 0 EHADRM CC[C@](NC(=O)C[C@H]1CC[C@H](C)C1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595238320 980154127 /nfs/dbraw/zinc/15/41/27/980154127.db2.gz JYXIBOHXLSRWNY-ZJNRKIDTSA-N -1 0 337.847 3.972 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2cc(C3CC3)oc2C2CC2)C1 ZINC000899299355 980226089 /nfs/dbraw/zinc/22/60/89/980226089.db2.gz WLUMYEYHTJGHKP-GFCCVEGCSA-N -1 0 331.412 3.751 20 0 EHADRM Cc1coc(-c2ccc(C)c([N-]S(=O)(=O)c3cc(C)oc3C)c2)n1 ZINC000182816999 1032098927 /nfs/dbraw/zinc/09/89/27/1032098927.db2.gz YBGRRQVEJHZERD-UHFFFAOYSA-N -1 0 346.408 3.969 20 0 EHADRM O=C([O-])/C=C\c1ccc(CN(Cc2cccs2)C[C@H]2CCCO2)o1 ZINC000901417974 980265548 /nfs/dbraw/zinc/26/55/48/980265548.db2.gz XOJXXJZMFTTYAG-ZPIQOJFGSA-N -1 0 347.436 3.620 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)c1sc2cccc(F)c2c1Cl ZINC000901425198 980270538 /nfs/dbraw/zinc/27/05/38/980270538.db2.gz WVVQEYRZLGVTRW-UHFFFAOYSA-N -1 0 329.780 3.631 20 0 EHADRM CCc1oc(CN[C@@H]2CCCOc3c(F)cccc32)cc1C(=O)[O-] ZINC000901436976 980285009 /nfs/dbraw/zinc/28/50/09/980285009.db2.gz BCYJWUXQQTXVIW-OAHLLOKOSA-N -1 0 333.359 3.683 20 0 EHADRM CC[C@@H](N[C@H](C(=O)[O-])c1ccsc1)c1cccc(OC)c1OC ZINC001595277048 980304681 /nfs/dbraw/zinc/30/46/81/980304681.db2.gz PJXQMIQSEQHQTK-HIFRSBDPSA-N -1 0 335.425 3.632 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC[C@H]2CCN(c3ccccc3)C2)cc1 ZINC000901513575 980330235 /nfs/dbraw/zinc/33/02/35/980330235.db2.gz OHKMVWRLYDLQIC-MRXNPFEDSA-N -1 0 338.451 3.987 20 0 EHADRM C[C@@H](Cc1ccc(N[C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1)C(=O)[O-] ZINC000901735229 980471076 /nfs/dbraw/zinc/47/10/76/980471076.db2.gz PMGGHINJDNLKKR-MGHWNKPDSA-N -1 0 329.440 3.709 20 0 EHADRM CSCc1cnc(CN[C@@H](CC2CCCCC2)C(=O)[O-])s1 ZINC000901769517 980500385 /nfs/dbraw/zinc/50/03/85/980500385.db2.gz LPVKJLQLSFISDH-ZDUSSCGKSA-N -1 0 328.503 3.519 20 0 EHADRM CC[C@H](OC(=O)[C@H](Sc1ccccc1)c1ccccc1)C(=O)[O-] ZINC001595336420 980594180 /nfs/dbraw/zinc/59/41/80/980594180.db2.gz MYFBUZSNEJJDGE-JKSUJKDBSA-N -1 0 330.405 3.926 20 0 EHADRM Cc1nc(CC(C)C)c(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)s1 ZINC000901879022 980594490 /nfs/dbraw/zinc/59/44/90/980594490.db2.gz QGWVXYLBKWCMLW-ALCCZGGFSA-N -1 0 334.397 3.593 20 0 EHADRM C[C@@H]1CN(Cc2ccc(Sc3ccccc3)cc2)C[C@@H](C(=O)[O-])O1 ZINC000901930103 980635652 /nfs/dbraw/zinc/63/56/52/980635652.db2.gz GJFGAUHWKJFYHD-KDOFPFPSSA-N -1 0 343.448 3.512 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC001595355084 980699205 /nfs/dbraw/zinc/69/92/05/980699205.db2.gz NDPHRZRICHSEKB-OIISXLGYSA-N -1 0 339.476 3.606 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)O[C@H](C(=O)[O-])c1ccccc1Cl ZINC001595355616 980703723 /nfs/dbraw/zinc/70/37/23/980703723.db2.gz GKKUIGRHRGHCDZ-CABCVRRESA-N -1 0 340.803 3.747 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)N1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC001595356367 980711544 /nfs/dbraw/zinc/71/15/44/980711544.db2.gz CLQAHLGGKAOHFF-UAGQMJEPSA-N -1 0 347.455 3.679 20 0 EHADRM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001595357136 980719273 /nfs/dbraw/zinc/71/92/73/980719273.db2.gz ROFDKXXYDYKQFO-OAHLLOKOSA-N -1 0 345.370 3.937 20 0 EHADRM CC[C@H](Oc1ccccc1F)C(=O)Nc1scc(C(=O)[O-])c1C ZINC001595357540 980723494 /nfs/dbraw/zinc/72/34/94/980723494.db2.gz CTVXDEBFFJZWRB-LBPRGKRZSA-N -1 0 337.372 3.690 20 0 EHADRM CC(C)(C)NC(=O)c1ccc(NCc2ccc(/C=C\C(=O)[O-])o2)cc1 ZINC000902092768 980729990 /nfs/dbraw/zinc/72/99/90/980729990.db2.gz KNOUTMQLEFYWMK-KHPPLWFESA-N -1 0 342.395 3.518 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)N1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC001595358902 980736394 /nfs/dbraw/zinc/73/63/94/980736394.db2.gz UPUKABQOCNGMHQ-HLPPOEQASA-N -1 0 335.469 3.658 20 0 EHADRM C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000902105154 980736557 /nfs/dbraw/zinc/73/65/57/980736557.db2.gz GZBDGQDYAHYWFE-NONVJHHQSA-N -1 0 333.428 3.546 20 0 EHADRM CC[C@@H](c1ccc(F)cc1)[S@@](=O)CCc1ccccc1C(=O)[O-] ZINC001595359624 980743055 /nfs/dbraw/zinc/74/30/55/980743055.db2.gz FSNTVXILBAVDEE-SBUREZEXSA-N -1 0 334.412 3.966 20 0 EHADRM O=C([O-])CCC[C@H]1CCC[C@H](Nc2cccc(Cn3cncn3)c2)C1 ZINC000902120081 980744189 /nfs/dbraw/zinc/74/41/89/980744189.db2.gz YFDPWCPPMNCRBN-WBVHZDCISA-N -1 0 342.443 3.552 20 0 EHADRM CC[C@H](c1ccc(F)cc1)S(=O)(=O)Cc1ccccc1C(=O)[O-] ZINC001595359870 980746050 /nfs/dbraw/zinc/74/60/50/980746050.db2.gz MFKDTOGODUCPGV-MRXNPFEDSA-N -1 0 336.384 3.590 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)/C(C)=C\c1cccnc1 ZINC001595359973 980746664 /nfs/dbraw/zinc/74/66/64/980746664.db2.gz OTCNOYZBPMRCJS-WTQUMQLASA-N -1 0 338.407 3.549 20 0 EHADRM Cc1ccc(NC(=O)C(C)C)cc1NCc1cc(C(=O)[O-])cs1 ZINC000902126493 980747162 /nfs/dbraw/zinc/74/71/62/980747162.db2.gz SRVWQXFNWSOVKI-UHFFFAOYSA-N -1 0 332.425 3.961 20 0 EHADRM CCC(C)(C)NC(=O)c1ccc(NCc2csc(C(=O)[O-])c2)cc1 ZINC000902152193 980759317 /nfs/dbraw/zinc/75/93/17/980759317.db2.gz SJCIHIDIJULVIR-UHFFFAOYSA-N -1 0 346.452 3.977 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)Cc1cccc(F)c1F ZINC001595361410 980761974 /nfs/dbraw/zinc/76/19/74/980761974.db2.gz HQLGVGYARDCDOU-MRXNPFEDSA-N -1 0 347.361 3.572 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@H](C)c1ccsc1 ZINC001595361736 980764879 /nfs/dbraw/zinc/76/48/79/980764879.db2.gz NNAUVNRRDHGRBM-CZUORRHYSA-N -1 0 331.437 3.916 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)C[C@H]1CCC[C@H](OC)C1 ZINC001595361951 980767284 /nfs/dbraw/zinc/76/72/84/980767284.db2.gz SEBGDPDVICGGMS-RYQLBKOJSA-N -1 0 347.455 3.646 20 0 EHADRM O=C([O-])/C=C/c1ccc(CN[C@@H]2CCCOc3ccc(F)cc32)o1 ZINC000902176492 980769511 /nfs/dbraw/zinc/76/95/11/980769511.db2.gz KWVSSHQKIFDIDH-IQIBNGDESA-N -1 0 331.343 3.520 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC)S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001595363124 980778491 /nfs/dbraw/zinc/77/84/91/980778491.db2.gz BIEYOBHHVLCNSW-INIZCTEOSA-N -1 0 347.436 3.547 20 0 EHADRM C[C@H](Nc1ccc(N2CCc3sccc3C2)cc1)[C@@H]1C[C@H]1C(=O)[O-] ZINC000902204705 980782536 /nfs/dbraw/zinc/78/25/36/980782536.db2.gz XBQDHDNBJABJKM-AFAVFJNCSA-N -1 0 342.464 3.832 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(C)C)C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1 ZINC001595364747 980797419 /nfs/dbraw/zinc/79/74/19/980797419.db2.gz XDDLMVIZKGOAEJ-VDHUWJSZSA-N -1 0 347.455 3.501 20 0 EHADRM Cc1cc(CN[C@H](C)c2ccc(C(F)(F)F)nc2)oc1C(=O)[O-] ZINC000902262496 980806473 /nfs/dbraw/zinc/80/64/73/980806473.db2.gz CMPNWQVDQVMWSV-SECBINFHSA-N -1 0 328.290 3.551 20 0 EHADRM CCC1(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])CCCCC1 ZINC001595365711 980807503 /nfs/dbraw/zinc/80/75/03/980807503.db2.gz FSVUFYNTRFRBGO-OAHLLOKOSA-N -1 0 335.419 3.546 20 0 EHADRM CCC1(C(=O)Nc2cnc(C(=O)[O-])c(Cl)c2)CCC(F)(F)CC1 ZINC001595367868 980820552 /nfs/dbraw/zinc/82/05/52/980820552.db2.gz HQUYCZNCUUORKD-UHFFFAOYSA-N -1 0 346.761 3.977 20 0 EHADRM CC[C@@]1(C)CCCN(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC001595368852 980831897 /nfs/dbraw/zinc/83/18/97/980831897.db2.gz LZPDLVNLDBSEDA-FCEWJHQRSA-N -1 0 330.428 3.919 20 0 EHADRM CCc1oc(CNc2ccc(O[C@@H]3CC3(F)F)cc2)cc1C(=O)[O-] ZINC000902341884 980840666 /nfs/dbraw/zinc/84/06/66/980840666.db2.gz RVBASHMFSWWJQR-OAHLLOKOSA-N -1 0 337.322 3.939 20 0 EHADRM CCC1(CC)CN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC001595375244 980893849 /nfs/dbraw/zinc/89/38/49/980893849.db2.gz AHGZBTSYBWNZND-HNNXBMFYSA-N -1 0 332.444 3.670 20 0 EHADRM CCc1noc(C)c1CNCc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000902458684 980897431 /nfs/dbraw/zinc/89/74/31/980897431.db2.gz VBPOXGLOVXCIJX-UHFFFAOYSA-N -1 0 340.379 3.793 20 0 EHADRM CCc1oc(CNCc2cccc(OC3CC3)c2F)cc1C(=O)[O-] ZINC000902479633 980904842 /nfs/dbraw/zinc/90/48/42/980904842.db2.gz ZTOLHMOORGIESV-UHFFFAOYSA-N -1 0 333.359 3.510 20 0 EHADRM CCc1oc(CN[C@H]2CCCOc3c(OC)cccc32)cc1C(=O)[O-] ZINC000902504448 980912695 /nfs/dbraw/zinc/91/26/95/980912695.db2.gz CILWDZRHEGQHRB-HNNXBMFYSA-N -1 0 345.395 3.552 20 0 EHADRM COc1cc(C[C@@H](C)Nc2ccc(SC)c(C(=O)[O-])c2)ccn1 ZINC000902570751 980938938 /nfs/dbraw/zinc/93/89/38/980938938.db2.gz RSOYNBKCBGEAOK-LLVKDONJSA-N -1 0 332.425 3.553 20 0 EHADRM CC[C@H]1CC[C@@H](C)N1C(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC001595416645 981033436 /nfs/dbraw/zinc/03/34/36/981033436.db2.gz XMSOYPPNQZGIRS-OLZOCXBDSA-N -1 0 334.416 3.967 20 0 EHADRM CCC1CCC(NC(=O)[C@H](C)c2c(F)cccc2F)(C(=O)[O-])CC1 ZINC001595420720 981037813 /nfs/dbraw/zinc/03/78/13/981037813.db2.gz XMZAJRSUSIYLOC-VQQRXRCHSA-N -1 0 339.382 3.608 20 0 EHADRM CC[C@@H]1CCC[C@@H](NC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)C1 ZINC001595431734 981054495 /nfs/dbraw/zinc/05/44/95/981054495.db2.gz DWHPSVNETSNPHK-VXGBXAGGSA-N -1 0 329.400 3.956 20 0 EHADRM CC[C@H]1CCC[C@@H]1C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC001595435080 981062196 /nfs/dbraw/zinc/06/21/96/981062196.db2.gz GADUJSPWSCNQIN-KBPBESRZSA-N -1 0 339.382 3.594 20 0 EHADRM CC[C@H]1CCC[C@@]1(C)C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC001595435132 981062523 /nfs/dbraw/zinc/06/25/23/981062523.db2.gz GWLRCZLSQIQXFY-APPDUMDISA-N -1 0 347.440 3.991 20 0 EHADRM CC[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC001595443710 981082626 /nfs/dbraw/zinc/08/26/26/981082626.db2.gz AHVVULRLDYEMCB-DGCLKSJQSA-N -1 0 339.461 3.593 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)C[C@@H]1OCc2ccccc21 ZINC000905005884 981085921 /nfs/dbraw/zinc/08/59/21/981085921.db2.gz JIVWDJVDLKXGEL-KRWDZBQOSA-N -1 0 325.364 3.547 20 0 EHADRM CC[C@H]1CCCC[C@H]1N(C)C(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC001595445089 981091295 /nfs/dbraw/zinc/09/12/95/981091295.db2.gz VVPMTVSQHGCBON-GOEBONIOSA-N -1 0 348.443 3.504 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1N(C)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001595445144 981091552 /nfs/dbraw/zinc/09/15/52/981091552.db2.gz WOPWYJPAIKHPDK-WBVHZDCISA-N -1 0 332.444 3.538 20 0 EHADRM COc1cccc([C@H](C(=O)[O-])N(C)Cc2cc(C(F)(F)F)co2)c1 ZINC000905372664 981096346 /nfs/dbraw/zinc/09/63/46/981096346.db2.gz HTERCBOGXHWJMF-CQSZACIVSA-N -1 0 343.301 3.565 20 0 EHADRM Cc1ccc([C@H](NCc2ccn(C3CCCC3)n2)C(=O)[O-])cc1C ZINC000905378394 981100736 /nfs/dbraw/zinc/10/07/36/981100736.db2.gz BJAPQYDQHRBAMX-SFHVURJKSA-N -1 0 327.428 3.531 20 0 EHADRM C[C@@H]1CC2(CC(Nc3ccc(N4CCCCC4)c(C(=O)[O-])c3)C2)CO1 ZINC000905718439 981121959 /nfs/dbraw/zinc/12/19/59/981121959.db2.gz KIHCUJLEEWLJQI-PCVOSPCESA-N -1 0 344.455 3.745 20 0 EHADRM COc1c(NC(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)cccc1C(=O)[O-] ZINC000906500100 981169967 /nfs/dbraw/zinc/16/99/67/981169967.db2.gz LZOUSOCYRCODQA-JKSUJKDBSA-N -1 0 339.391 3.752 20 0 EHADRM COc1c(NC(=O)C[C@]23CCCC[C@H]2C3(F)F)cccc1C(=O)[O-] ZINC000906503957 981170647 /nfs/dbraw/zinc/17/06/47/981170647.db2.gz YMKNTQQTLHYJPA-MLGOLLRUSA-N -1 0 339.338 3.548 20 0 EHADRM CC[C@H]1CN(C(=O)CC(C)(C)CC(=O)[O-])c2cccc(Cl)c2O1 ZINC001595472757 981179982 /nfs/dbraw/zinc/17/99/82/981179982.db2.gz QJDBYRLUFKDDTA-NSHDSACASA-N -1 0 339.819 3.735 20 0 EHADRM CN=c1[n-]nc(SCCCCCn2c(C)nc3ccccc32)s1 ZINC000460870214 1032102725 /nfs/dbraw/zinc/10/27/25/1032102725.db2.gz JNIUVMYSIHPIMW-UHFFFAOYSA-N -1 0 347.513 3.622 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)cc1 ZINC000907557273 981188697 /nfs/dbraw/zinc/18/86/97/981188697.db2.gz LKTBZEXTVOTFFT-PXNSSMCTSA-N -1 0 339.391 3.671 20 0 EHADRM CC[C@@H]1CN(C(=O)c2oc(C(=O)[O-])cc2C)CC[C@H]1c1ccccc1 ZINC001595480540 981197946 /nfs/dbraw/zinc/19/79/46/981197946.db2.gz JNXPGSWJCNNOIZ-GDBMZVCRSA-N -1 0 341.407 3.942 20 0 EHADRM CC1=C(C)C[C@@](C)(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)CC1 ZINC000907614829 981200932 /nfs/dbraw/zinc/20/09/32/981200932.db2.gz AZNKKIKYPSOPHP-XLIONFOSSA-N -1 0 327.424 3.724 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1cnc(CC(C)C)s1 ZINC000907765640 981216751 /nfs/dbraw/zinc/21/67/51/981216751.db2.gz AADJGESYANSCQJ-UHFFFAOYSA-N -1 0 348.424 3.691 20 0 EHADRM CC1=C(C)C[C@@](C)(C(=O)N2CC[C@H](c3ncc(C(=O)[O-])s3)C2)CC1 ZINC000907788183 981219793 /nfs/dbraw/zinc/21/97/93/981219793.db2.gz GWEMCRYWXVKINT-UGSOOPFHSA-N -1 0 348.468 3.684 20 0 EHADRM CC(C)Oc1c(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)cccc1C(=O)[O-] ZINC000907848272 981233759 /nfs/dbraw/zinc/23/37/59/981233759.db2.gz RNQDZIZOWVBVFR-KCQAQPDRSA-N -1 0 331.412 3.937 20 0 EHADRM O=C([O-])c1cccc2c1CCN2C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000907976327 981248604 /nfs/dbraw/zinc/24/86/04/981248604.db2.gz HSJMYSVDCZKQOU-WDEREUQCSA-N -1 0 341.329 3.643 20 0 EHADRM CC/C=C(\F)C(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC001595507867 981292984 /nfs/dbraw/zinc/29/29/84/981292984.db2.gz NPDLGNZSOGRZNZ-WDZFZDKYSA-N -1 0 334.372 3.639 20 0 EHADRM C[C@@H](CCc1ccc(F)cc1)C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908332383 981300471 /nfs/dbraw/zinc/30/04/71/981300471.db2.gz DYMZLJRCETZBNU-HNNXBMFYSA-N -1 0 349.446 3.936 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC000908338047 981302951 /nfs/dbraw/zinc/30/29/51/981302951.db2.gz GWXLHUPXSCWKAN-OAHLLOKOSA-N -1 0 349.446 3.936 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)c2cccc(SC(F)(F)F)c2)C1 ZINC000908375649 981310192 /nfs/dbraw/zinc/31/01/92/981310192.db2.gz CXEQGPYHPRIQOU-KOLCDFICSA-N -1 0 347.358 3.672 20 0 EHADRM Cc1cocc1C(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000908415142 981314004 /nfs/dbraw/zinc/31/40/04/981314004.db2.gz QPFIITPPHJKKBZ-CYBMUJFWSA-N -1 0 341.285 3.553 20 0 EHADRM Cc1ccccc1-c1ccccc1C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000908660617 981336712 /nfs/dbraw/zinc/33/67/12/981336712.db2.gz OSCDFEYGOIFWSE-LJQANCHMSA-N -1 0 349.430 3.989 20 0 EHADRM CCN(C(=O)c1ccoc1CC(=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000908757277 981354989 /nfs/dbraw/zinc/35/49/89/981354989.db2.gz SLHPRGGEMOMEHY-LBPRGKRZSA-N -1 0 341.363 3.876 20 0 EHADRM C[C@@H](NC(=O)C12CCC(C(=O)[O-])(CC1)C2)C(C)(C)c1ccccc1 ZINC000908773474 981359996 /nfs/dbraw/zinc/35/99/96/981359996.db2.gz KGVJLYCATQHXNT-WPUWVODUSA-N -1 0 329.440 3.504 20 0 EHADRM CC(C)(CNC(=O)C12CCC(C(=O)[O-])(CC1)CC2)c1ccc(F)cc1 ZINC000908782862 981361536 /nfs/dbraw/zinc/36/15/36/981361536.db2.gz KCAKDLQXHLYHBJ-UHFFFAOYSA-N -1 0 347.430 3.645 20 0 EHADRM CCC[C@@H](Cc1ccccc1)NC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000908778257 981361636 /nfs/dbraw/zinc/36/16/36/981361636.db2.gz HXOSIPUNVALTLL-RPCJCACASA-N -1 0 343.467 3.939 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c(C)c1 ZINC000908792243 981363877 /nfs/dbraw/zinc/36/38/77/981363877.db2.gz FFNIYMOYGCYSAB-ATIQYGATSA-N -1 0 343.467 3.776 20 0 EHADRM Cc1ccc([C@H]2CCCCCN2C(=O)c2ccoc2CC(=O)[O-])o1 ZINC000908818004 981368214 /nfs/dbraw/zinc/36/82/14/981368214.db2.gz STIHWHJUWQMFPX-CQSZACIVSA-N -1 0 331.368 3.566 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)N[C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000908829001 981369358 /nfs/dbraw/zinc/36/93/58/981369358.db2.gz TYFZPXPHUXXXQO-CJNGLKHVSA-N -1 0 341.407 3.650 20 0 EHADRM CCC[C@@H](C(=O)N[C@@](C)(Cc1ccc(Cl)cc1)C(=O)[O-])C(C)C ZINC001595535406 981377209 /nfs/dbraw/zinc/37/72/09/981377209.db2.gz BVCAVYBDBRPQPD-QAPCUYQASA-N -1 0 339.863 3.914 20 0 EHADRM CCC[C@@H](C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-])c1ccccc1 ZINC001595535748 981378081 /nfs/dbraw/zinc/37/80/81/981378081.db2.gz GKLMIXZPEZEJNH-MSOLQXFVSA-N -1 0 343.398 3.522 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)CCc1ccc(F)cc1F)c1ccccc1 ZINC000908941974 981390518 /nfs/dbraw/zinc/39/05/18/981390518.db2.gz CXIZRNSZRYBECY-QGZVFWFLSA-N -1 0 347.361 3.620 20 0 EHADRM CCC[C@H](C(=O)OCc1cc(C(=O)[O-])ccc1C)c1ccccn1 ZINC001595538478 981392088 /nfs/dbraw/zinc/39/20/88/981392088.db2.gz MBTOLLMMCDSGLW-INIZCTEOSA-N -1 0 327.380 3.715 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)Cc1csc2cc(C)sc12 ZINC000909056237 981407276 /nfs/dbraw/zinc/40/72/76/981407276.db2.gz KGAHEQOTUCVHGU-OAHLLOKOSA-N -1 0 325.455 3.573 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)Cc1cccc(C(F)F)c1)c1ccccc1 ZINC000909062481 981408854 /nfs/dbraw/zinc/40/88/54/981408854.db2.gz HKNLHSGOSZQMHC-SJCJKPOMSA-N -1 0 347.361 3.745 20 0 EHADRM CCC[C@@](C)(NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1)C(=O)[O-] ZINC001595553467 981429844 /nfs/dbraw/zinc/42/98/44/981429844.db2.gz KSRSDBAKGATJLZ-OAHLLOKOSA-N -1 0 342.317 3.560 20 0 EHADRM CCC[C@@](C)(NC(=O)c1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC001595553888 981432611 /nfs/dbraw/zinc/43/26/11/981432611.db2.gz RWTZFSXSQFIKFC-LJQANCHMSA-N -1 0 329.371 3.969 20 0 EHADRM CCC/C(C)=C\C(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC001595565659 981457007 /nfs/dbraw/zinc/45/70/07/981457007.db2.gz JTCLALRGZSCXLP-XFXZXTDPSA-N -1 0 343.345 3.865 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C2(Nc3ccccc3)CC2)cc1 ZINC000909297300 981464332 /nfs/dbraw/zinc/46/43/32/981464332.db2.gz OOHIGIZQVWBSPQ-UHFFFAOYSA-N -1 0 338.407 3.632 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(C)cs2)cc1 ZINC000909325473 981468773 /nfs/dbraw/zinc/46/87/73/981468773.db2.gz KLBMDCUBIJFVSX-CYBMUJFWSA-N -1 0 335.450 3.724 20 0 EHADRM CCC[C@@H](C)CC(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC001595571201 981478848 /nfs/dbraw/zinc/47/88/48/981478848.db2.gz PQLIUOVWOYRPIR-GFCCVEGCSA-N -1 0 345.361 3.945 20 0 EHADRM CCC[C@@H](C)[C@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001595574152 981490951 /nfs/dbraw/zinc/49/09/51/981490951.db2.gz VVUZLLLWSIHRJF-IUODEOHRSA-N -1 0 334.416 3.826 20 0 EHADRM C[C@@H](C(=O)N(C[C@H](C)C(=O)[O-])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000909456776 981498326 /nfs/dbraw/zinc/49/83/26/981498326.db2.gz HDWZRZNEWNOTPK-WDEREUQCSA-N -1 0 343.345 3.521 20 0 EHADRM CCC[C@@H](CC(C)C)C(=O)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC001595578461 981500191 /nfs/dbraw/zinc/50/01/91/981500191.db2.gz DXOCMARDEHAOOD-INIZCTEOSA-N -1 0 335.444 3.571 20 0 EHADRM CCC(CC)n1ccc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)n1 ZINC000909513740 981521499 /nfs/dbraw/zinc/52/14/99/981521499.db2.gz TVOOGNMQCDATHO-UHFFFAOYSA-N -1 0 329.400 3.812 20 0 EHADRM CCc1c(C(=O)Nc2cc(C(=O)[O-])cs2)cnn1C1CCCC1 ZINC000909515840 981522347 /nfs/dbraw/zinc/52/23/47/981522347.db2.gz NVKTXPSHDLBBLR-UHFFFAOYSA-N -1 0 333.413 3.573 20 0 EHADRM CC(C)[C@H]1C[C@H](CC(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)CCO1 ZINC000909523562 981529222 /nfs/dbraw/zinc/52/92/22/981529222.db2.gz OMWXZJSCCCMNBE-QGPMSJSTSA-N -1 0 347.455 3.730 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)Nc1cccnc1Oc1cccc(C)c1C ZINC000909545044 981538112 /nfs/dbraw/zinc/53/81/12/981538112.db2.gz VOAROYOJOUGKSB-ZDUSSCGKSA-N -1 0 328.368 3.540 20 0 EHADRM CC1(C)CN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)c2ccccc21 ZINC000909551393 981539255 /nfs/dbraw/zinc/53/92/55/981539255.db2.gz DORHZOZCIUSAMV-UHFFFAOYSA-N -1 0 327.424 3.736 20 0 EHADRM CCC[C@H](CCc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001595590849 981546350 /nfs/dbraw/zinc/54/63/50/981546350.db2.gz DBRGMGDIYWVDFM-MRXNPFEDSA-N -1 0 341.411 3.703 20 0 EHADRM CCSc1ccc(CC(=O)N2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000909577426 981546837 /nfs/dbraw/zinc/54/68/37/981546837.db2.gz IZJUMQZVSUASSK-INIZCTEOSA-N -1 0 341.432 3.556 20 0 EHADRM CCC[C@@H](Cc1ccccc1)NC(=O)c1[nH]c(CC)c(C(=O)[O-])c1C ZINC001595594037 981560245 /nfs/dbraw/zinc/56/02/45/981560245.db2.gz LESSUIRKKBISLG-HNNXBMFYSA-N -1 0 342.439 3.725 20 0 EHADRM CCC[C@@H](NC(=O)CSc1ncccc1C(=O)[O-])c1ccccc1 ZINC001595598662 981568919 /nfs/dbraw/zinc/56/89/19/981568919.db2.gz NERHYTNIUWAYPL-OAHLLOKOSA-N -1 0 344.436 3.530 20 0 EHADRM CCC[C@H](NC(=O)NCCc1ccccc1C(=O)[O-])c1ccccc1 ZINC001595599908 981574858 /nfs/dbraw/zinc/57/48/58/981574858.db2.gz IFVNHJPIAUXRSH-SFHVURJKSA-N -1 0 340.423 3.768 20 0 EHADRM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)c2ccoc2CC(=O)[O-])cc1 ZINC000909728239 981582069 /nfs/dbraw/zinc/58/20/69/981582069.db2.gz ZAQKIEONHFNKIS-RDJZCZTQSA-N -1 0 341.407 3.623 20 0 EHADRM Cc1cc(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)nn1[C@@H](C)C1CC1 ZINC000909831542 981649042 /nfs/dbraw/zinc/64/90/42/981649042.db2.gz OFAGDMGPAHSQIU-STQMWFEESA-N -1 0 341.411 3.603 20 0 EHADRM CCCC1(CNC(=O)Nc2cc(COC)cc(C(=O)[O-])c2)CCC1 ZINC001595617361 981652344 /nfs/dbraw/zinc/65/23/44/981652344.db2.gz XPXIDGPUOZPQCQ-UHFFFAOYSA-N -1 0 334.416 3.623 20 0 EHADRM CCC[C@@H]1CCC[C@@H]1C(=O)Oc1ccc(/C=C\C(=O)[O-])cc1OC ZINC001595621612 981701752 /nfs/dbraw/zinc/70/17/52/981701752.db2.gz LSGWQPXPJUOZSH-IFCOSYQSSA-N -1 0 332.396 3.915 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)[C@H](C)OC1CCCCC1)c1ccccc1 ZINC001594764183 981705169 /nfs/dbraw/zinc/70/51/69/981705169.db2.gz JRFIAXJVVIKYOR-WMLDXEAASA-N -1 0 333.428 3.621 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)C(F)(F)Cc1ccccc1)c1ccccc1 ZINC001594764616 981709163 /nfs/dbraw/zinc/70/91/63/981709163.db2.gz QGXJQPDKWJKFTN-MRXNPFEDSA-N -1 0 347.361 3.761 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3occc3s2)[C@@H]2CCCC[C@@H]12 ZINC000909961639 981714966 /nfs/dbraw/zinc/71/49/66/981714966.db2.gz UXJIBKLAODYDAO-QJPTWQEYSA-N -1 0 333.409 3.600 20 0 EHADRM CCC/C=C/C(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1 ZINC001595624135 981729129 /nfs/dbraw/zinc/72/91/29/981729129.db2.gz MQZPFKLRRVAOHB-SNAWJCMRSA-N -1 0 326.352 3.867 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1cc(C)cnc1Cl)c1ccccc1 ZINC001594768469 981731172 /nfs/dbraw/zinc/73/11/72/981731172.db2.gz ZEPUDOQLOGQFLG-AWEZNQCLSA-N -1 0 332.787 3.553 20 0 EHADRM Cc1cccc2c1CCC[C@H]2NC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000909992270 981732588 /nfs/dbraw/zinc/73/25/88/981732588.db2.gz TXNMFPADESUURE-MDMXATFFSA-N -1 0 341.451 3.914 20 0 EHADRM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1oc(C(=O)[O-])cc1C ZINC000910013431 981734947 /nfs/dbraw/zinc/73/49/47/981734947.db2.gz JMLMCEWRBNJLQS-AWEZNQCLSA-N -1 0 331.368 3.518 20 0 EHADRM CN(C(=O)C12CCC(C(=O)[O-])(CC1)C2)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000910021768 981736441 /nfs/dbraw/zinc/73/64/41/981736441.db2.gz KQYKXWLUODDXEI-RJAIZQQDSA-N -1 0 347.377 3.601 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1ccc2ccn(C)c2c1)c1ccccc1 ZINC001594771455 981748297 /nfs/dbraw/zinc/74/82/97/981748297.db2.gz ZECWZGFZRUYNIU-KRWDZBQOSA-N -1 0 336.391 3.688 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)N[C@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC000910153322 981766866 /nfs/dbraw/zinc/76/68/66/981766866.db2.gz RYERATXLCQGEEM-GHMZBOCLSA-N -1 0 348.424 3.510 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N[C@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC000910153325 981767585 /nfs/dbraw/zinc/76/75/85/981767585.db2.gz RYERATXLCQGEEM-WDEREUQCSA-N -1 0 348.424 3.510 20 0 EHADRM CC[C@@H](C(=O)Oc1ccc(N(C)C)c(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001594777745 981770199 /nfs/dbraw/zinc/77/01/99/981770199.db2.gz DFRYQDHTUCCBRB-OAHLLOKOSA-N -1 0 345.370 3.689 20 0 EHADRM O=C([O-])Cc1occc1C(=O)N(Cc1ccccc1Cl)CC1CC1 ZINC000910190698 981777765 /nfs/dbraw/zinc/77/77/65/981777765.db2.gz BHZHEHUDDDOJDY-UHFFFAOYSA-N -1 0 347.798 3.613 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)[C@@H](C)OC1CCCCCC1 ZINC001594780292 981783391 /nfs/dbraw/zinc/78/33/91/981783391.db2.gz DYLYCWWHWLFNDJ-AUUYWEPGSA-N -1 0 339.476 3.606 20 0 EHADRM CCCC[C@](C)(F)C(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12 ZINC001595630411 981818927 /nfs/dbraw/zinc/81/89/27/981818927.db2.gz FDXCPHSQESRABA-SFHVURJKSA-N -1 0 348.374 3.555 20 0 EHADRM CSC(C)(C)C(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000910253864 981829739 /nfs/dbraw/zinc/82/97/39/981829739.db2.gz STEODHAICHKVCC-UHFFFAOYSA-N -1 0 346.246 3.536 20 0 EHADRM CCCO[C@H]1CCCN(c2nc(C(F)(F)F)ccc2C(=O)[O-])CC1 ZINC000910290153 981845076 /nfs/dbraw/zinc/84/50/76/981845076.db2.gz KMQYQEJWKYRXJK-NSHDSACASA-N -1 0 346.349 3.584 20 0 EHADRM CCCC[C@@H](CC)C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC001595632029 981848724 /nfs/dbraw/zinc/84/87/24/981848724.db2.gz PBRLZNDMKFCXQJ-SNVBAGLBSA-N -1 0 335.429 3.991 20 0 EHADRM Cc1cc(C)c(CC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)s1 ZINC000910295673 981849354 /nfs/dbraw/zinc/84/93/54/981849354.db2.gz IAPCKYHLSSDWLP-LSDHHAIUSA-N -1 0 329.421 3.734 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cccc2c1OC(C)(C)C2 ZINC001594792882 981864356 /nfs/dbraw/zinc/86/43/56/981864356.db2.gz TXROGGAWSMAWCU-HXUWFJFHSA-N -1 0 345.439 3.506 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cc(F)c(Cl)cc1F ZINC001594792840 981864415 /nfs/dbraw/zinc/86/44/15/981864415.db2.gz SKWDWFUSFLRDLA-MRXNPFEDSA-N -1 0 345.773 3.724 20 0 EHADRM CCCC[C@@H](CCC)NC(=O)NCc1ccc(C(=O)[O-])c(OC)c1 ZINC001595633727 981875871 /nfs/dbraw/zinc/87/58/71/981875871.db2.gz UVLSOXTWRQLADD-CQSZACIVSA-N -1 0 336.432 3.552 20 0 EHADRM CCCC[C@H](CCC)NC(=O)NCc1ccc(C(=O)[O-])c(OC)c1 ZINC001595633726 981876009 /nfs/dbraw/zinc/87/60/09/981876009.db2.gz UVLSOXTWRQLADD-AWEZNQCLSA-N -1 0 336.432 3.552 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)c2cscc2C(F)F)c2ccccc21 ZINC000910361024 981890691 /nfs/dbraw/zinc/89/06/91/981890691.db2.gz PMHFOHKQOGOQKI-VIFPVBQESA-N -1 0 337.347 3.904 20 0 EHADRM CSc1ccccc1CC(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000910366355 981896209 /nfs/dbraw/zinc/89/62/09/981896209.db2.gz BAZSXNUOBAZLQM-AWEZNQCLSA-N -1 0 341.432 3.556 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)NCC(C)(C)CC(F)F)C(=O)[O-] ZINC000910409875 981920673 /nfs/dbraw/zinc/92/06/73/981920673.db2.gz HADIQMHWBJBNHI-SNVBAGLBSA-N -1 0 345.411 3.663 20 0 EHADRM CCC(C)(C)[C@H]1CCc2nc(NC(=O)[C@@H](C)CC(=O)[O-])sc2C1 ZINC001594808885 981922279 /nfs/dbraw/zinc/92/22/79/981922279.db2.gz RCZCCXDEVLMMDD-QWRGUYRKSA-N -1 0 338.473 3.734 20 0 EHADRM CCCC[C@@H](NC(=O)c1ccc(Oc2cc(C)ccn2)cc1)C(=O)[O-] ZINC001595636827 981923041 /nfs/dbraw/zinc/92/30/41/981923041.db2.gz TZLAOQKAZMJYSH-MRXNPFEDSA-N -1 0 342.395 3.556 20 0 EHADRM CCCC[C@@H](NC(=O)c1ccccc1NC1CCCCC1)C(=O)[O-] ZINC001595636996 981925550 /nfs/dbraw/zinc/92/55/50/981925550.db2.gz ILXDUVCEOXCOGI-QGZVFWFLSA-N -1 0 332.444 3.804 20 0 EHADRM CCC(C)(C)c1ccccc1C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC001594815483 981942323 /nfs/dbraw/zinc/94/23/23/981942323.db2.gz AIIPGAKZOSTCLE-KRWDZBQOSA-N -1 0 339.435 3.972 20 0 EHADRM CC[C@@H](CC(=O)N1CCc2cc(C(=O)[O-])ccc2C1)c1ccccc1 ZINC000910498977 981964825 /nfs/dbraw/zinc/96/48/25/981964825.db2.gz PCIICPHDPSAYAW-HNNXBMFYSA-N -1 0 337.419 3.853 20 0 EHADRM CC(C)(CC(=O)N1CCc2cc(C(=O)[O-])ccc2C1)c1ccccc1 ZINC000910498953 981965142 /nfs/dbraw/zinc/96/51/42/981965142.db2.gz OZFBRWUMCPDYLH-UHFFFAOYSA-N -1 0 337.419 3.637 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc(C(C)C)nc2ccccc21 ZINC001594821177 981968636 /nfs/dbraw/zinc/96/86/36/981968636.db2.gz PGKHVXCQDTYRFI-LJQANCHMSA-N -1 0 328.412 3.731 20 0 EHADRM CSC1(CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)CCCCC1 ZINC000910543230 981988616 /nfs/dbraw/zinc/98/86/16/981988616.db2.gz RTZIBZYAILHQDI-UHFFFAOYSA-N -1 0 339.501 3.594 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C1CCCC1 ZINC000910569500 981995649 /nfs/dbraw/zinc/99/56/49/981995649.db2.gz XJNVJLCOYWZYEV-GFCCVEGCSA-N -1 0 330.211 3.757 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)CCCc1nc(C)cs1 ZINC000910624215 982033136 /nfs/dbraw/zinc/03/31/36/982033136.db2.gz PPQOANHYOUOFOH-UHFFFAOYSA-N -1 0 348.424 3.510 20 0 EHADRM CCCC[C@@H](SCc1cc(OC)c(OC)cc1OC)C(=O)[O-] ZINC001595654598 982041968 /nfs/dbraw/zinc/04/19/68/982041968.db2.gz FGCRCCJXQZBNMN-OAHLLOKOSA-N -1 0 328.430 3.589 20 0 EHADRM CCCC[C@@H](Sc1nc2cc(C)nn2c2ccccc12)C(=O)[O-] ZINC001595656789 982056147 /nfs/dbraw/zinc/05/61/47/982056147.db2.gz BHWGHPRNEUQOGD-CQSZACIVSA-N -1 0 329.425 3.926 20 0 EHADRM CCCC[C@H](SCc1nc2ccc(Cl)cc2c(=O)[nH]1)C(=O)[O-] ZINC001595656785 982056279 /nfs/dbraw/zinc/05/62/79/982056279.db2.gz BFTKCJPZKHBNEH-LBPRGKRZSA-N -1 0 340.832 3.865 20 0 EHADRM CCCC[C@@H](Sc1nnc(NCc2cccs2)s1)C(=O)[O-] ZINC001595657683 982065377 /nfs/dbraw/zinc/06/53/77/982065377.db2.gz YEQIAJFZRZGSKQ-SNVBAGLBSA-N -1 0 343.499 3.947 20 0 EHADRM CCCC[C@H](Sc1nnc(NCc2cccs2)s1)C(=O)[O-] ZINC001595657682 982065703 /nfs/dbraw/zinc/06/57/03/982065703.db2.gz YEQIAJFZRZGSKQ-JTQLQIEISA-N -1 0 343.499 3.947 20 0 EHADRM CC(C)CCSCC(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC000910698340 982068854 /nfs/dbraw/zinc/06/88/54/982068854.db2.gz BUBBANYXFPIUEP-UHFFFAOYSA-N -1 0 330.475 3.683 20 0 EHADRM CCCCC1CCC(C(=O)N[C@H](C(=O)[O-])c2cccc(O)c2)CC1 ZINC001595661225 982075156 /nfs/dbraw/zinc/07/51/56/982075156.db2.gz SJZUCMGUFFCTJQ-KVULBXGLSA-N -1 0 333.428 3.631 20 0 EHADRM CCCCCC(C)(C)C(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001595662780 982081032 /nfs/dbraw/zinc/08/10/32/982081032.db2.gz LAIBBNJYEDZUGR-TXKKKEFDSA-N -1 0 341.517 3.838 20 0 EHADRM CCCCCC(C)(C)C(=O)N[C@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC001595663042 982082057 /nfs/dbraw/zinc/08/20/57/982082057.db2.gz QDHOUAWDCSGXGZ-CQSZACIVSA-N -1 0 335.444 3.934 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)CC(C)(C)C2CC2)nc1C(=O)[O-] ZINC000910721384 982084283 /nfs/dbraw/zinc/08/42/83/982084283.db2.gz KAMWXKZHBNSWIF-GFCCVEGCSA-N -1 0 336.457 3.640 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)[C@H]2CCCC2(C)C)nc1C(=O)[O-] ZINC000910721400 982084353 /nfs/dbraw/zinc/08/43/53/982084353.db2.gz KJNCMBBJTJEDCH-NEPJUHHUSA-N -1 0 336.457 3.640 20 0 EHADRM Cc1sc([C@H]2CCCN2C(=O)/C=C/c2ccccc2)nc1C(=O)[O-] ZINC000910722796 982085136 /nfs/dbraw/zinc/08/51/36/982085136.db2.gz MVIRLMMOXXPGTP-ATWMFIQVSA-N -1 0 342.420 3.527 20 0 EHADRM CCCCC[C@](C)(CC)C(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001595666461 982100984 /nfs/dbraw/zinc/10/09/84/982100984.db2.gz JUHKHBARADNMBH-ACJLOTCBSA-N -1 0 335.448 3.529 20 0 EHADRM CCCCC[C@@H](NC(=O)C(F)(F)c1cccc(Cl)c1)C(=O)[O-] ZINC001595670305 982116878 /nfs/dbraw/zinc/11/68/78/982116878.db2.gz OLYHOKGXHXJNBH-GFCCVEGCSA-N -1 0 333.762 3.582 20 0 EHADRM CCCCC[C@H](NC(=O)CCSc1ccccc1Cl)C(=O)[O-] ZINC001595671936 982127280 /nfs/dbraw/zinc/12/72/80/982127280.db2.gz JJKIXXHLOHBENJ-ZDUSSCGKSA-N -1 0 343.876 3.972 20 0 EHADRM CCCCC[C@@H](NC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)c1ccccc1 ZINC001595673365 982141935 /nfs/dbraw/zinc/14/19/35/982141935.db2.gz VUFGCRWNEBJQMA-YZLZLFLDSA-N -1 0 344.455 3.861 20 0 EHADRM CCCCC[C@H](NC(=O)Cc1coc2c1ccc(C)c2C)C(=O)[O-] ZINC001595673470 982143104 /nfs/dbraw/zinc/14/31/04/982143104.db2.gz YYSUGFQGUUUUAY-INIZCTEOSA-N -1 0 331.412 3.742 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)c1 ZINC000910858544 982148355 /nfs/dbraw/zinc/14/83/55/982148355.db2.gz ZRVINKWAVJWONC-BFYDXBDKSA-N -1 0 347.455 3.538 20 0 EHADRM CCCCC[C@@H](NC(=O)c1nc2ccccc2cc1C1CC1)C(=O)[O-] ZINC001595680209 982152105 /nfs/dbraw/zinc/15/21/05/982152105.db2.gz AHPIRRUPGHLAGF-QGZVFWFLSA-N -1 0 340.423 3.876 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc3c(ccc4ccccc34)[nH]2)C[C@H]1CC(=O)[O-] ZINC000910863220 982152481 /nfs/dbraw/zinc/15/24/81/982152481.db2.gz QHFPOKJNICFESQ-TZMCWYRMSA-N -1 0 336.391 3.504 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(-c3ccccc3Cl)o2)C[C@H]1CC(=O)[O-] ZINC000910867474 982156545 /nfs/dbraw/zinc/15/65/45/982156545.db2.gz YMECQXKRCPFTFI-VXGBXAGGSA-N -1 0 347.798 3.783 20 0 EHADRM CCCCC[C@@H](NC(=O)c1ccc(Oc2ccccc2)cn1)C(=O)[O-] ZINC001595680664 982156779 /nfs/dbraw/zinc/15/67/79/982156779.db2.gz FWLZWVANNRNSOB-QGZVFWFLSA-N -1 0 342.395 3.637 20 0 EHADRM Cc1cc(C(=O)N2CCC[C@@H]2[C@H](C)c2ccccc2)oc1C(=O)[O-] ZINC000910935519 982169984 /nfs/dbraw/zinc/16/99/84/982169984.db2.gz JCHKIDKAYFKIGI-UKRRQHHQSA-N -1 0 327.380 3.695 20 0 EHADRM CCC[C@@H]1C[C@H](C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)CCO1 ZINC000910948367 982173396 /nfs/dbraw/zinc/17/33/96/982173396.db2.gz ZFMGLORFOZLZMJ-DGCLKSJQSA-N -1 0 337.441 3.641 20 0 EHADRM CSc1ccc(NC(=O)CO[C@H]2CCCC[C@@H]2C)cc1C(=O)[O-] ZINC000910950645 982174380 /nfs/dbraw/zinc/17/43/80/982174380.db2.gz ZHTDTCLRSPAKLT-FZMZJTMJSA-N -1 0 337.441 3.641 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)CCNc1ccccc1C ZINC000910960979 982178798 /nfs/dbraw/zinc/17/87/98/982178798.db2.gz IIZRYHQMVGLJJV-UHFFFAOYSA-N -1 0 326.396 3.696 20 0 EHADRM CCCCCCC(=O)N1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001595690348 982195651 /nfs/dbraw/zinc/19/56/51/982195651.db2.gz NXZXFQNELHNTDV-LSDHHAIUSA-N -1 0 339.382 3.562 20 0 EHADRM CC[C@@H](C)[C@@H](C(=O)OCc1cccc(C(=O)[O-])n1)c1ccccc1 ZINC001594873822 982196815 /nfs/dbraw/zinc/19/68/15/982196815.db2.gz QDFVLOPGVDTACZ-CXAGYDPISA-N -1 0 327.380 3.653 20 0 EHADRM CC[C@H](C)[C@H](C)C(=O)N[C@@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001594874702 982204088 /nfs/dbraw/zinc/20/40/88/982204088.db2.gz XNDVEDBBEITXTM-PRXAMGSTSA-N -1 0 325.836 3.524 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000911104491 982238178 /nfs/dbraw/zinc/23/81/78/982238178.db2.gz DFRDCKUSFFMREN-CHWSQXEVSA-N -1 0 346.452 3.503 20 0 EHADRM CCCCCC[C@@H](C)NC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC001595697279 982239936 /nfs/dbraw/zinc/23/99/36/982239936.db2.gz JRTXYHIYEHVLEV-OAHLLOKOSA-N -1 0 335.444 3.856 20 0 EHADRM CC[C@H](C)[C@H](C)NC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001594881952 982245760 /nfs/dbraw/zinc/24/57/60/982245760.db2.gz VSMMUBVOWLBCOZ-XEZPLFJOSA-N -1 0 332.444 3.539 20 0 EHADRM CCCCCC[C@H](C)CC(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001595698373 982250459 /nfs/dbraw/zinc/25/04/59/982250459.db2.gz RNCWGFAJMSMMKK-UONOGXRCSA-N -1 0 335.448 3.529 20 0 EHADRM CCCCCC[C@H](C)CC(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001595699155 982256268 /nfs/dbraw/zinc/25/62/68/982256268.db2.gz WTGGHFNXBHUAQZ-QCTRZYONSA-N -1 0 339.476 3.512 20 0 EHADRM O=C([O-])C12CCC(C(=O)Nc3cccc4ccc(O)cc43)(CC1)C2 ZINC000911154426 982262390 /nfs/dbraw/zinc/26/23/90/982262390.db2.gz NPTHUZCWUJUBHK-UHFFFAOYSA-N -1 0 325.364 3.519 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)CCOc1cc(C)ccc1C(C)C)C(=O)[O-] ZINC001594887751 982275201 /nfs/dbraw/zinc/27/52/01/982275201.db2.gz UJHKCHWTHFFWIP-KDOFPFPSSA-N -1 0 335.444 3.503 20 0 EHADRM CCCCCCN(Cc1ccco1)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001595709017 982289518 /nfs/dbraw/zinc/28/95/18/982289518.db2.gz QSCKRKHPMPCYOZ-UHFFFAOYSA-N -1 0 345.399 3.987 20 0 EHADRM CCCCCCOCC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001595711299 982299378 /nfs/dbraw/zinc/29/93/78/982299378.db2.gz UACPJPFNTGVNAR-QGZVFWFLSA-N -1 0 347.455 3.518 20 0 EHADRM O=C([O-])C1(C(=O)Nc2cccc(N3CCCCC3)c2)CC2(CCC2)C1 ZINC000911251707 982314433 /nfs/dbraw/zinc/31/44/33/982314433.db2.gz YJKRDFFPJRXBKA-UHFFFAOYSA-N -1 0 342.439 3.651 20 0 EHADRM CCCCN(C(=O)Nc1cccc(C(=O)[O-])n1)[C@H]1CCC[C@@H](C)C1 ZINC001595731967 982365862 /nfs/dbraw/zinc/36/58/62/982365862.db2.gz MLGNPASWADAFQG-KGLIPLIRSA-N -1 0 333.432 3.993 20 0 EHADRM CC1(C)Cc2cccc(NC(=O)CCc3ccccc3C(=O)[O-])c2O1 ZINC000911372216 982389871 /nfs/dbraw/zinc/38/98/71/982389871.db2.gz LBHOZXICAJCTDO-UHFFFAOYSA-N -1 0 339.391 3.670 20 0 EHADRM CCCCN(CCCC)C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001595744621 982408668 /nfs/dbraw/zinc/40/86/68/982408668.db2.gz HQBSTTXVQLRCQB-UHFFFAOYSA-N -1 0 330.428 3.768 20 0 EHADRM CCCCN(CCCC)C(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC001595745028 982409970 /nfs/dbraw/zinc/40/99/70/982409970.db2.gz PDEGCQZOWCSHQD-UHFFFAOYSA-N -1 0 343.427 3.613 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)c1cc(OCc2ccccc2)cs1)C(=O)[O-] ZINC001594911400 982415359 /nfs/dbraw/zinc/41/53/59/982415359.db2.gz DZVASTYVWOXXIS-MLGOLLRUSA-N -1 0 347.436 3.556 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)c1cc(C)c(-c2ccccc2)s1)C(=O)[O-] ZINC001594912826 982426199 /nfs/dbraw/zinc/42/61/99/982426199.db2.gz VJMGHFBMNYWNQJ-XHDPSFHLSA-N -1 0 331.437 3.953 20 0 EHADRM CCCCO[C@@H]1C[C@@H](N(C)[C@H](C)c2ncc(C(=O)[O-])s2)C1(C)C ZINC001595770331 982507362 /nfs/dbraw/zinc/50/73/62/982507362.db2.gz GRQMTVXMORHACG-MRVWCRGKSA-N -1 0 340.489 3.818 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000911569702 982508313 /nfs/dbraw/zinc/50/83/13/982508313.db2.gz GAEFLBRIKWUOBD-CRAIPNDOSA-N -1 0 341.382 3.519 20 0 EHADRM CCCCO[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(C(=O)[O-])c2)C1(C)C ZINC001595770511 982508449 /nfs/dbraw/zinc/50/84/49/982508449.db2.gz JDAQKXSZHVPIGK-CVEARBPZSA-N -1 0 348.443 3.832 20 0 EHADRM CC[C@@H](C)[C@@H](Sc1n[nH]c(-c2ccc3c(c2)CCC3)n1)C(=O)[O-] ZINC001594927933 982529366 /nfs/dbraw/zinc/52/93/66/982529366.db2.gz AAVBODSZZJAJRY-QMTHXVAHSA-N -1 0 331.441 3.552 20 0 EHADRM CC[C@H](C)[C@H](Sc1nc2ccccc2c(=O)n1C(C)C)C(=O)[O-] ZINC001594928183 982532866 /nfs/dbraw/zinc/53/28/66/982532866.db2.gz DIHNLAMBNATTGT-FZMZJTMJSA-N -1 0 334.441 3.569 20 0 EHADRM CCCCOc1ccc(/C=C\c2ncncc2C(=O)[O-])cc1OC ZINC001595775436 982535711 /nfs/dbraw/zinc/53/57/11/982535711.db2.gz DMPVMGRQKISPCH-ALCCZGGFSA-N -1 0 328.368 3.533 20 0 EHADRM CC[C@@H](C)[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)[O-] ZINC001594928426 982537401 /nfs/dbraw/zinc/53/74/01/982537401.db2.gz IHKNFPWOHUQNBJ-BXUZGUMPSA-N -1 0 331.441 3.736 20 0 EHADRM CC[C@@H](C)[C@H](Sc1nnc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC001594928751 982541701 /nfs/dbraw/zinc/54/17/01/982541701.db2.gz MHRPOGBRWMUYHF-KCJUWKMLSA-N -1 0 326.805 3.981 20 0 EHADRM CCCc1cc(C(=O)N[C@@](C)(CC(=O)[O-])c2ccccn2)sc1C ZINC000911614780 982545191 /nfs/dbraw/zinc/54/51/91/982545191.db2.gz NSVULQNWMYNLIF-SFHVURJKSA-N -1 0 346.452 3.524 20 0 EHADRM CCCCS[C@H](C)C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001595786398 982577011 /nfs/dbraw/zinc/57/70/11/982577011.db2.gz VRWDVYJDQLOFOP-CJNGLKHVSA-N -1 0 349.496 3.843 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000911656255 982586290 /nfs/dbraw/zinc/58/62/90/982586290.db2.gz RKVXZRJFACEJTM-LBPRGKRZSA-N -1 0 343.345 3.508 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)N[C@H](CC(=O)[O-])c1ccncc1 ZINC000911660022 982589932 /nfs/dbraw/zinc/58/99/32/982589932.db2.gz SLQBXWLMZOIDEH-NVXWUHKLSA-N -1 0 332.444 3.710 20 0 EHADRM CCCCc1ccc(C(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC001595794108 982598640 /nfs/dbraw/zinc/59/86/40/982598640.db2.gz ZJOAAZBTXWITPR-LJQANCHMSA-N -1 0 339.435 3.936 20 0 EHADRM CCCCc1ccc(N(C)Cc2snc(OC)c2C(=O)[O-])cc1 ZINC001595796185 982600484 /nfs/dbraw/zinc/60/04/84/982600484.db2.gz JAWRPWHHDSODLX-UHFFFAOYSA-N -1 0 334.441 3.829 20 0 EHADRM CCCCc1ccc(N(C)C(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC001595797518 982606634 /nfs/dbraw/zinc/60/66/34/982606634.db2.gz XNDYCVXPBOPNIV-ACCUITESSA-N -1 0 327.380 3.997 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCc3ccc(-c4ccccc4)cc3C2)C1 ZINC000911718822 982611422 /nfs/dbraw/zinc/61/14/22/982611422.db2.gz RRPZRPFOTUSKQY-RBUKOAKNSA-N -1 0 349.430 3.739 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)CCCc1ccc(SC)cc1)C(=O)[O-] ZINC001594939579 982611419 /nfs/dbraw/zinc/61/14/19/982611419.db2.gz USFQRIUVFCYEEO-CZUORRHYSA-N -1 0 337.485 3.737 20 0 EHADRM CC[C@@H]1C[C@H](CC(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)CCO1 ZINC000911734500 982619176 /nfs/dbraw/zinc/61/91/76/982619176.db2.gz TVCSBRLCCYOKFB-ZIAGYGMSSA-N -1 0 349.427 3.706 20 0 EHADRM CCCN(C(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1)[C@@H](C)C(=O)[O-] ZINC001595813024 982652732 /nfs/dbraw/zinc/65/27/32/982652732.db2.gz GIQDNNVIDOMFAI-RYUDHWBXSA-N -1 0 345.361 3.596 20 0 EHADRM CCCN(C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)[O-] ZINC001595814273 982658344 /nfs/dbraw/zinc/65/83/44/982658344.db2.gz QMYQXQPFMMFGBJ-VHSXEESVSA-N -1 0 332.227 3.809 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)c1nc2ccccc2cc1C1CC1)C(=O)[O-] ZINC001594950280 982658485 /nfs/dbraw/zinc/65/84/85/982658485.db2.gz XAAAXDBVRVLKEO-PXAZEXFGSA-N -1 0 340.423 3.731 20 0 EHADRM Cc1ccc(-c2nc(C(=O)Nc3cccc(C(=O)[O-])c3C)cs2)o1 ZINC000915150056 982662941 /nfs/dbraw/zinc/66/29/41/982662941.db2.gz GESVIDRRBUAFSM-UHFFFAOYSA-N -1 0 342.376 3.970 20 0 EHADRM CCCN(C(=O)CCCC(=O)c1c(C)cc(C)cc1C)[C@H](C)C(=O)[O-] ZINC001595816262 982670979 /nfs/dbraw/zinc/67/09/79/982670979.db2.gz HDGWCJAFWRFIJY-MRXNPFEDSA-N -1 0 347.455 3.677 20 0 EHADRM CCCN(C(=O)COc1ccc(Cl)c2ccccc12)[C@@H](C)C(=O)[O-] ZINC001595816284 982671310 /nfs/dbraw/zinc/67/13/10/982671310.db2.gz IWWTZXCMCWMRGF-LBPRGKRZSA-N -1 0 349.814 3.584 20 0 EHADRM CC[C@@H](C)C[C@@H](Nc1ncnc2sc3c(c21)CCCC3)C(=O)[O-] ZINC001594952926 982675028 /nfs/dbraw/zinc/67/50/28/982675028.db2.gz OLJOHANNELKPMK-ZYHUDNBSSA-N -1 0 333.457 3.871 20 0 EHADRM CCCN(C(=O)/C=C\c1ccc2cc(OC)ccc2c1)[C@H](C)C(=O)[O-] ZINC001595817519 982681261 /nfs/dbraw/zinc/68/12/61/982681261.db2.gz UIBWSCMJSYVKDH-LBIZBFCRSA-N -1 0 341.407 3.573 20 0 EHADRM CCCN(C(=O)CCC(=O)c1ccc2ccccc2c1)[C@@H](C)C(=O)[O-] ZINC001595817549 982681282 /nfs/dbraw/zinc/68/12/82/982681282.db2.gz UZDBBSJZWRREPC-AWEZNQCLSA-N -1 0 341.407 3.514 20 0 EHADRM CC[C@H](C)CCNC(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001594959391 982706500 /nfs/dbraw/zinc/70/65/00/982706500.db2.gz SNUAKBYWWUKPQJ-VIFPVBQESA-N -1 0 343.221 3.705 20 0 EHADRM CCCN(C(=O)c1ccc(C(=O)[O-])o1)[C@@H](C)c1ccccc1OC ZINC001595827603 982713719 /nfs/dbraw/zinc/71/37/19/982713719.db2.gz UNLXSISEZIRFIW-LBPRGKRZSA-N -1 0 331.368 3.600 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)[C@@H]1SCCc2ccccc21 ZINC000923090309 982716638 /nfs/dbraw/zinc/71/66/38/982716638.db2.gz GMMUTILUGMBWAZ-CQSZACIVSA-N -1 0 333.434 3.724 20 0 EHADRM CC[C@@H](C)Oc1cc(C(=O)Nc2cc(C(=O)[O-])sc2C)ccn1 ZINC000923093904 982718882 /nfs/dbraw/zinc/71/88/82/982718882.db2.gz FJVNZMQJBYDNOO-SECBINFHSA-N -1 0 334.397 3.579 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)[C@@H](C)OC1CCCCCC1 ZINC000923095704 982720271 /nfs/dbraw/zinc/72/02/71/982720271.db2.gz YOUFGNHTEMLUSI-SNVBAGLBSA-N -1 0 325.430 3.821 20 0 EHADRM Cc1sc([C@@H]2CCCN2C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)nc1C(=O)[O-] ZINC000923107092 982729218 /nfs/dbraw/zinc/72/92/18/982729218.db2.gz MLVQLWMDYKMXOS-CRWXNKLISA-N -1 0 348.468 3.640 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)CCC[C@@H](C)c1cccc(OC)c1 ZINC001594971877 982741134 /nfs/dbraw/zinc/74/11/34/982741134.db2.gz LNHGWSCIYXQARW-HUUCEWRRSA-N -1 0 335.444 3.681 20 0 EHADRM CC[C@H](C)N1C(=O)N[C@@H](c2ccc3occc3c2)C(C(=O)[O-])=C1C ZINC001594985229 982798125 /nfs/dbraw/zinc/79/81/25/982798125.db2.gz KJBAVNWPTNOLLJ-QFYYESIMSA-N -1 0 328.368 3.656 20 0 EHADRM O=C([O-])CCC1(NC(=O)CCC[C@@H](O)c2ccccc2)CCCCC1 ZINC000923216615 982848412 /nfs/dbraw/zinc/84/84/12/982848412.db2.gz KKQDSRLBTLYJRX-QGZVFWFLSA-N -1 0 347.455 3.574 20 0 EHADRM CCCN(CC)c1ccc(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)cc1 ZINC001595869453 982849345 /nfs/dbraw/zinc/84/93/45/982849345.db2.gz VTKZGXGJZTZXON-INIZCTEOSA-N -1 0 334.460 3.542 20 0 EHADRM CC[C@H](C)Oc1ccc(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc1 ZINC001595000830 982913440 /nfs/dbraw/zinc/91/34/40/982913440.db2.gz YVIYIXNQLVQZRY-YYFZDKIDSA-N -1 0 345.439 3.581 20 0 EHADRM CC[C@@H](C)Sc1ccc(NC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c(C)c1 ZINC001595004675 982918604 /nfs/dbraw/zinc/91/86/04/982918604.db2.gz KBZLULMXCBSRDY-UYHMYPTGSA-N -1 0 348.468 3.680 20 0 EHADRM CC[C@@H](C)Oc1cccc(NCc2ccccc2O[C@H](C)C(=O)[O-])n1 ZINC001595007652 982925748 /nfs/dbraw/zinc/92/57/48/982925748.db2.gz DYMVVKDECIHICV-ZIAGYGMSSA-N -1 0 344.411 3.723 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(Cl)c(F)c2)cc1 ZINC001116768497 982934297 /nfs/dbraw/zinc/93/42/97/982934297.db2.gz NXAXZVURZVDYBY-HNNXBMFYSA-N -1 0 335.762 3.733 20 0 EHADRM CC[C@H](C)c1ccc(C(=O)COC(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001595010634 982942627 /nfs/dbraw/zinc/94/26/27/982942627.db2.gz VRXMORFALZROSM-NSHDSACASA-N -1 0 330.336 3.531 20 0 EHADRM CCCN(Cc1ccccc1)C(=O)Nc1cc(C(=O)[O-])cnc1Cl ZINC001595900344 982952447 /nfs/dbraw/zinc/95/24/47/982952447.db2.gz ZRWUJJLEKRUBAT-UHFFFAOYSA-N -1 0 347.802 3.877 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3CCc4ccc(Cl)cc4C3)(CC1)CC2 ZINC001119582095 982992324 /nfs/dbraw/zinc/99/23/24/982992324.db2.gz SFIKZQYYZWIMGY-UHFFFAOYSA-N -1 0 347.842 3.650 20 0 EHADRM Cc1c(NC(=O)CC2CCC2)cc(Br)cc1C(=O)[O-] ZINC001119644198 983011732 /nfs/dbraw/zinc/01/17/32/983011732.db2.gz HIUSJXHFADRPLD-UHFFFAOYSA-N -1 0 326.190 3.584 20 0 EHADRM COc1ccc(CNC(=O)c2ccccc2C2CCC2)cc1C(=O)[O-] ZINC001120417070 983028499 /nfs/dbraw/zinc/02/84/99/983028499.db2.gz HSANGKNYYCGEMV-UHFFFAOYSA-N -1 0 339.391 3.591 20 0 EHADRM CCCNC(=O)Nc1cccc(OCc2csc(C(=O)[O-])c2)c1 ZINC001595925942 983047010 /nfs/dbraw/zinc/04/70/10/983047010.db2.gz OOWVHZNAQPTAKO-UHFFFAOYSA-N -1 0 334.397 3.557 20 0 EHADRM CCCNc1ccc(Cl)cc1NC(=O)c1cncc(C(=O)[O-])c1 ZINC001595937210 983083625 /nfs/dbraw/zinc/08/36/25/983083625.db2.gz XVULLLJBRIIWSJ-UHFFFAOYSA-N -1 0 333.775 3.507 20 0 EHADRM CCCOc1ccc(NC(=O)NCc2cccc(C(=O)[O-])c2)cc1F ZINC001595960519 983152150 /nfs/dbraw/zinc/15/21/50/983152150.db2.gz KBRORLOQNAAHKB-UHFFFAOYSA-N -1 0 346.358 3.634 20 0 EHADRM CCCOc1ccc(NC(=O)CC2(CC(=O)[O-])CCCC2)cc1OC ZINC001595960564 983153075 /nfs/dbraw/zinc/15/30/75/983153075.db2.gz AARXKYNWSYMORC-UHFFFAOYSA-N -1 0 349.427 3.848 20 0 EHADRM CCCOc1ccc(NC(=O)c2oc(C(=O)[O-])cc2C)cc1Cl ZINC001595961019 983156150 /nfs/dbraw/zinc/15/61/50/983156150.db2.gz QWOKXDPBAQMXPH-UHFFFAOYSA-N -1 0 337.759 3.981 20 0 EHADRM CCCOc1cccc(C(=O)Nc2cc(F)cc(C(=O)[O-])c2F)c1 ZINC001595967342 983180044 /nfs/dbraw/zinc/18/00/44/983180044.db2.gz OYBDCVKPLPUNNW-UHFFFAOYSA-N -1 0 335.306 3.704 20 0 EHADRM C[C@H](O)C[C@@H]1CCCCCN1C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000655072495 1014923504 /nfs/dbraw/zinc/92/35/04/1014923504.db2.gz NOPJURMJIBKLFU-RYUDHWBXSA-N -1 0 345.361 3.567 20 0 EHADRM CCC[C@H](NC(=O)[C@H]1CCC(C)(C)C[C@H]1c1ccccc1)C(=O)[O-] ZINC001596015664 983277816 /nfs/dbraw/zinc/27/78/16/983277816.db2.gz SQZPPSARPTYDDC-ULQDDVLXSA-N -1 0 331.456 3.966 20 0 EHADRM CCC[C@H](NC(=O)CSCc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001596015937 983278461 /nfs/dbraw/zinc/27/84/61/983278461.db2.gz AIJMUTJBRIUHFX-HNNXBMFYSA-N -1 0 337.485 3.587 20 0 EHADRM CCCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@H](C)[C@@H](C(=O)[O-])O1 ZINC001596068849 983382342 /nfs/dbraw/zinc/38/23/42/983382342.db2.gz MPBBFYMYLGXSCW-NUTKFTJISA-N -1 0 333.428 3.579 20 0 EHADRM CCCc1ccccc1C(=O)Oc1cc(/C=C\C(=O)[O-])ccc1OC ZINC001596070597 983385893 /nfs/dbraw/zinc/38/58/93/983385893.db2.gz OEGQDFXPHMMAAP-BENRWUELSA-N -1 0 340.375 3.965 20 0 EHADRM CCCc1nc(C)c(COc2ccc(/C=C\C(=O)[O-])cc2OC)o1 ZINC001596083271 983404481 /nfs/dbraw/zinc/40/44/81/983404481.db2.gz JCPSCMYEUVVYQL-CLFYSBASSA-N -1 0 331.368 3.621 20 0 EHADRM CCCc1nnc(SCc2coc(-c3ccc(C(=O)[O-])cc3)n2)o1 ZINC001596097254 983420827 /nfs/dbraw/zinc/42/08/27/983420827.db2.gz PDCIFZPWBCKZAD-UHFFFAOYSA-N -1 0 345.380 3.668 20 0 EHADRM CCCn1ccc2ccc(NC(=O)c3oc(C(=O)[O-])cc3C)cc21 ZINC001596115668 983445658 /nfs/dbraw/zinc/44/56/58/983445658.db2.gz FYWQSSLKLHZICE-UHFFFAOYSA-N -1 0 326.352 3.903 20 0 EHADRM CCN(C(=O)[C@@H](OCC1CCCC1)c1ccccc1)C(C)(C)C(=O)[O-] ZINC001596131898 983479727 /nfs/dbraw/zinc/47/97/27/983479727.db2.gz UWDZFSCDGDPAOD-KRWDZBQOSA-N -1 0 347.455 3.646 20 0 EHADRM CCN(CC)C(=O)Nc1c(OCc2ccccc2)cccc1C(=O)[O-] ZINC001596249019 983651874 /nfs/dbraw/zinc/65/18/74/983651874.db2.gz JRKORCJVRAGIJM-UHFFFAOYSA-N -1 0 342.395 3.838 20 0 EHADRM CCN(CC1CCC1)C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001596294361 983715816 /nfs/dbraw/zinc/71/58/16/983715816.db2.gz UXIWMGBVXDXOLH-UHFFFAOYSA-N -1 0 327.384 3.587 20 0 EHADRM CCN(CCc1ccccc1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001596347944 983800829 /nfs/dbraw/zinc/80/08/29/983800829.db2.gz VXVDFLBKTXCCIF-UHFFFAOYSA-N -1 0 340.423 3.800 20 0 EHADRM CCN(Cc1nc2cc(C(=O)[O-])ccc2[nH]1)Cc1cccc(Cl)c1 ZINC001596364711 983851898 /nfs/dbraw/zinc/85/18/98/983851898.db2.gz YWCZHNPUPZYZST-UHFFFAOYSA-N -1 0 343.814 3.937 20 0 EHADRM CCN(c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccsc2)cc1)C(C)C ZINC001596382871 983905519 /nfs/dbraw/zinc/90/55/19/983905519.db2.gz GYETWNAYEFMWHF-INIZCTEOSA-N -1 0 346.452 3.539 20 0 EHADRM CCOC(=O)CC(C)(C)CC(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC001596587949 984523564 /nfs/dbraw/zinc/52/35/64/984523564.db2.gz MURJCTKAEZBUHL-UHFFFAOYSA-N -1 0 349.427 3.816 20 0 EHADRM C=Cc1ccccc1NC(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)[O-] ZINC001588921234 984578652 /nfs/dbraw/zinc/57/86/52/984578652.db2.gz COZARRARXKTDDA-QGZVFWFLSA-N -1 0 338.407 3.703 20 0 EHADRM C=Cc1ccc(CCNC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC001588922212 984581735 /nfs/dbraw/zinc/58/17/35/984581735.db2.gz XFOCWXBPWRSJRQ-UHFFFAOYSA-N -1 0 328.343 3.531 20 0 EHADRM C/C(=C/C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)c1ccccc1C ZINC001588938482 984622503 /nfs/dbraw/zinc/62/25/03/984622503.db2.gz GCNWNNYHYKYWHF-QTIWRUEGSA-N -1 0 337.419 3.557 20 0 EHADRM C/C(=C/C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)c1ccccc1Cl ZINC001588939001 984626121 /nfs/dbraw/zinc/62/61/21/984626121.db2.gz JRGIVPDYBJXIDK-ATWWEQPWSA-N -1 0 333.815 3.599 20 0 EHADRM C[C@H](C(=O)[O-])N(C)C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC001599885610 984632757 /nfs/dbraw/zinc/63/27/57/984632757.db2.gz CYBYTKQAMBRRTP-SECBINFHSA-N -1 0 341.285 3.511 20 0 EHADRM C/C(=C/C(=O)Nc1cccnc1SCCC(=O)[O-])c1cccs1 ZINC001588947576 984660450 /nfs/dbraw/zinc/66/04/50/984660450.db2.gz ZRXFRCBUNQTEOR-KHPPLWFESA-N -1 0 348.449 3.752 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cccc(Cl)c1F ZINC001599888576 984667384 /nfs/dbraw/zinc/66/73/84/984667384.db2.gz MOOWKFXTPYHGTC-LLVKDONJSA-N -1 0 335.762 3.595 20 0 EHADRM C/C(=C/C1CCC(C)CC1)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC001588955978 984700197 /nfs/dbraw/zinc/70/01/97/984700197.db2.gz FEJGEMJYWQZQAS-OKRCMVAOSA-N -1 0 329.440 3.571 20 0 EHADRM C[C@H](NCc1coc(-c2ccc(C(=O)[O-])cc2)n1)c1cccc(O)c1 ZINC001599901310 984834024 /nfs/dbraw/zinc/83/40/24/984834024.db2.gz AOVMQBHXAVDMST-LBPRGKRZSA-N -1 0 338.363 3.596 20 0 EHADRM C[C@H](OC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1cccc(OC(F)F)c1 ZINC001599903713 984892137 /nfs/dbraw/zinc/89/21/37/984892137.db2.gz CNFBYTNNUOYGMF-WCFLWFBJSA-N -1 0 342.338 3.783 20 0 EHADRM C[C@H](OC(=O)C(C)(C)Oc1ccccc1)c1ccc(C(=O)[O-])cc1 ZINC001599904624 984906507 /nfs/dbraw/zinc/90/65/07/984906507.db2.gz DQXFXJJPXDPASK-ZDUSSCGKSA-N -1 0 328.364 3.847 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C)CC(=O)Nc1ccccc1C(=O)[O-] ZINC001599905336 984914197 /nfs/dbraw/zinc/91/41/97/984914197.db2.gz GURMFOAVXHHEKO-GFCCVEGCSA-N -1 0 346.814 3.670 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)N(CCc1ccccc1)CC(=O)[O-] ZINC001588994977 984921357 /nfs/dbraw/zinc/92/13/57/984921357.db2.gz CCBPIHFESGKDMJ-SAPNQHFASA-N -1 0 337.419 3.554 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001588995590 984925314 /nfs/dbraw/zinc/92/53/14/984925314.db2.gz NDHPXGMXJQNESY-QMPJNXRZSA-N -1 0 349.430 3.653 20 0 EHADRM C/C(=C/c1cccc(Cl)c1)C(=O)Nc1cccc(C(=O)[O-])c1N ZINC001589000761 984941655 /nfs/dbraw/zinc/94/16/55/984941655.db2.gz DGOKUXZKITWEAD-NTMALXAHSA-N -1 0 330.771 3.662 20 0 EHADRM C/C(=C\c1cccc(Cl)c1)C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001589001463 984944621 /nfs/dbraw/zinc/94/46/21/984944621.db2.gz KEBJUVFZDGHIQP-FFQUPGJUSA-N -1 0 347.842 3.847 20 0 EHADRM C[C@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc3ccccc32)CC[C@H]1C(=O)[O-] ZINC001599914983 985041968 /nfs/dbraw/zinc/04/19/68/985041968.db2.gz YGSDLFKZHYHRAI-UAFONNFLSA-N -1 0 337.419 3.513 20 0 EHADRM CCO[C@H](C(=O)Nc1ccc(Cl)cc1C(=O)[O-])c1ccccc1 ZINC001596767916 985183053 /nfs/dbraw/zinc/18/30/53/985183053.db2.gz QZAOTCXWHDAVCV-HNNXBMFYSA-N -1 0 333.771 3.755 20 0 EHADRM C[C@H]1CN(C(=O)c2ccccc2Oc2ccccc2)C[C@]1(C)C(=O)[O-] ZINC001599925536 985194014 /nfs/dbraw/zinc/19/40/14/985194014.db2.gz URYSTCCJZZEXQD-XOBRGWDASA-N -1 0 339.391 3.662 20 0 EHADRM CCO[C@@H](CC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)C(C)C ZINC001596781443 985232651 /nfs/dbraw/zinc/23/26/51/985232651.db2.gz FPXWDFRVJJGNCQ-ZDUSSCGKSA-N -1 0 335.425 3.989 20 0 EHADRM CCO[C@H](CCNC(=O)Nc1ccc(C)c(C(=O)[O-])c1)C1CCCC1 ZINC001596784769 985252656 /nfs/dbraw/zinc/25/26/56/985252656.db2.gz XXXQOBAYNXLHSP-QGZVFWFLSA-N -1 0 348.443 3.800 20 0 EHADRM CCO[C@@H](c1noc(-c2cccc(CC(=O)[O-])c2)n1)C1CCCC1 ZINC001596790908 985269731 /nfs/dbraw/zinc/26/97/31/985269731.db2.gz PLDKFVLJUSLALI-MRXNPFEDSA-N -1 0 330.384 3.632 20 0 EHADRM CCO[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(C(=O)[O-])cc2CC)C1(C)C ZINC001596809099 985340590 /nfs/dbraw/zinc/34/05/90/985340590.db2.gz HMTBXCSSDBASSG-JKSUJKDBSA-N -1 0 348.443 3.615 20 0 EHADRM C[C@H]1CN(c2cc(C(C)(C)C)nc(C(C)(C)C)n2)C[C@]1(C)C(=O)[O-] ZINC001599932478 985341342 /nfs/dbraw/zinc/34/13/42/985341342.db2.gz YXBJIQULSWFXQN-BUXKBTBVSA-N -1 0 333.476 3.619 20 0 EHADRM C[C@H]1Cc2ccccc2N(C(=O)[C@H]2CCCC3(CC3)C2)[C@H]1C(=O)[O-] ZINC001599937036 985408572 /nfs/dbraw/zinc/40/85/72/985408572.db2.gz IZMQEMXLHYICBN-JLJPHGGASA-N -1 0 327.424 3.635 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)[C@@H](C)[C@H]1C ZINC001594478131 985502169 /nfs/dbraw/zinc/50/21/69/985502169.db2.gz MCAFVLVIBMWFRJ-VGMNWLOBSA-N -1 0 328.771 3.686 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)[C@@H]2CCCC[C@H]21 ZINC001594478577 985505471 /nfs/dbraw/zinc/50/54/71/985505471.db2.gz OVSOIEHQGFVXRW-OLUVUFQESA-N -1 0 338.354 3.705 20 0 EHADRM CC(=O)Nc1cc(C(=O)O[C@H](CC2CCCCC2)C(=O)[O-])ccc1C ZINC001589170759 985525675 /nfs/dbraw/zinc/52/56/75/985525675.db2.gz ZPOLAHFCYWDYQA-QGZVFWFLSA-N -1 0 347.411 3.534 20 0 EHADRM CCO[C@@H]1CCCN(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])C1 ZINC001596854857 985602697 /nfs/dbraw/zinc/60/26/97/985602697.db2.gz IRPUOESNAUTOMW-CQSZACIVSA-N -1 0 334.416 3.541 20 0 EHADRM CCOC1CCN(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CC1 ZINC001596855290 985606246 /nfs/dbraw/zinc/60/62/46/985606246.db2.gz ONQCONRIBLKLRN-UHFFFAOYSA-N -1 0 342.395 3.571 20 0 EHADRM Cc1[nH]c(C(=O)NCc2ccc(C(C)(C)C)s2)c(C)c1C(=O)[O-] ZINC001599952094 985625632 /nfs/dbraw/zinc/62/56/32/985625632.db2.gz HAPVCAAJWQVPMY-UHFFFAOYSA-N -1 0 334.441 3.619 20 0 EHADRM C[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C[C@H](C2CC2)O1 ZINC001594499858 985668586 /nfs/dbraw/zinc/66/85/86/985668586.db2.gz GAHOSEYDMPBSIP-DFKRKDTASA-N -1 0 344.238 3.618 20 0 EHADRM Cc1[nH]c(C(=O)Nc2ccc(C(C)(C)C)cc2O)c(C)c1C(=O)[O-] ZINC001599955041 985674085 /nfs/dbraw/zinc/67/40/85/985674085.db2.gz ZZFXIXFOHVZPGH-UHFFFAOYSA-N -1 0 330.384 3.585 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC001599956726 985700198 /nfs/dbraw/zinc/70/01/98/985700198.db2.gz MSSRZSFTDJIDCI-MQMHXKEQSA-N -1 0 346.814 3.659 20 0 EHADRM CC(=O)Nc1cccc2c1CCCN2[C@@H](C(=O)[O-])c1ccccc1C ZINC001589215569 985709851 /nfs/dbraw/zinc/70/98/51/985709851.db2.gz DUPVXFQRENEWKV-LJQANCHMSA-N -1 0 338.407 3.532 20 0 EHADRM CCOC[C@H](C(=O)[O-])N(C)Cc1c(OC(C)C)ccc2ccccc21 ZINC001596884482 985770766 /nfs/dbraw/zinc/77/07/66/985770766.db2.gz MNZCWCODDQFKOD-GOSISDBHSA-N -1 0 345.439 3.549 20 0 EHADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN(c1ccc(Cl)cc1)C(C)C ZINC001599960427 985771619 /nfs/dbraw/zinc/77/16/19/985771619.db2.gz SCEAFAQPWIUJTD-UHFFFAOYSA-N -1 0 334.803 3.772 20 0 EHADRM CC(=O)[C@@H]1C[C@H](CC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C1(C)C ZINC001589230730 985777360 /nfs/dbraw/zinc/77/73/60/985777360.db2.gz DOTPROHBCQYZNT-MFKMUULPSA-N -1 0 337.803 3.618 20 0 EHADRM Cc1[nH]c(CNc2cccc(Cl)c2OCC(F)F)cc1C(=O)[O-] ZINC001599963754 985853262 /nfs/dbraw/zinc/85/32/62/985853262.db2.gz RNGUSQMZBRRFKC-UHFFFAOYSA-N -1 0 344.745 3.931 20 0 EHADRM CCOCCC1(C(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)CCCC1 ZINC001596899182 985865892 /nfs/dbraw/zinc/86/58/92/985865892.db2.gz NCBBXXGMABNKEX-UHFFFAOYSA-N -1 0 340.803 3.931 20 0 EHADRM Cc1[nH]c(CN2CCc3ccc(C(F)(F)F)cc3C2)cc1C(=O)[O-] ZINC001599964753 985880579 /nfs/dbraw/zinc/88/05/79/985880579.db2.gz UJHLYHRIMFNFFM-UHFFFAOYSA-N -1 0 338.329 3.598 20 0 EHADRM CC(=O)c1ccc2ccccc2c1NC(=O)c1ccc(C=CC(=O)[O-])o1 ZINC001589304826 986068445 /nfs/dbraw/zinc/06/84/45/986068445.db2.gz GEPUMDNBVVEWAD-FLIBITNWSA-N -1 0 349.342 3.986 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N(CC(C)C)C(C)(C)C(=O)[O-] ZINC001599974619 986068836 /nfs/dbraw/zinc/06/88/36/986068836.db2.gz YEXPJUZNENHRHE-UHFFFAOYSA-N -1 0 335.375 3.842 20 0 EHADRM CC(=O)c1ccc2ccccc2c1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001589305954 986071919 /nfs/dbraw/zinc/07/19/19/986071919.db2.gz QINMWHLBCHSBTO-SHTZXODSSA-N -1 0 339.391 3.872 20 0 EHADRM Cc1c2cccc(Cl)c2[nH]c1C(=O)NCc1ccccc1C(=O)[O-] ZINC001599981740 986172690 /nfs/dbraw/zinc/17/26/90/986172690.db2.gz RASFUILHOOIRKG-UHFFFAOYSA-N -1 0 342.782 3.758 20 0 EHADRM Cc1c(C(=O)Nc2ccc(C(=O)[O-])c(O)c2)cccc1-c1ccccn1 ZINC001599982904 986188461 /nfs/dbraw/zinc/18/84/61/986188461.db2.gz LRYJPFPDMIPPST-UHFFFAOYSA-N -1 0 348.358 3.713 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001599983294 986194487 /nfs/dbraw/zinc/19/44/87/986194487.db2.gz JGZALZGFADKZPC-MHWZDGSBSA-N -1 0 347.798 3.624 20 0 EHADRM Cc1c(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)ccn1C(C)C ZINC001599983920 986203967 /nfs/dbraw/zinc/20/39/67/986203967.db2.gz SJKICWMAMZPCFG-DLBZAZTESA-N -1 0 326.396 3.818 20 0 EHADRM CCOc1c(Cl)cccc1NC(=O)NCC(CC)(CC)C(=O)[O-] ZINC001596993025 986280363 /nfs/dbraw/zinc/28/03/63/986280363.db2.gz VSNGIAMDVVWQBW-UHFFFAOYSA-N -1 0 342.823 3.751 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)/C(C)=C\c1ccc(F)cc1 ZINC001597008734 986336850 /nfs/dbraw/zinc/33/68/50/986336850.db2.gz CASKQXZRBTXIDC-BENRWUELSA-N -1 0 343.354 3.965 20 0 EHADRM C[C@H](C(=O)N1CCc2cc(C(=O)[O-])ccc2C1)c1cccc(Cl)c1 ZINC001589364175 986382792 /nfs/dbraw/zinc/38/27/92/986382792.db2.gz DAIDEIYKABEKPD-LBPRGKRZSA-N -1 0 343.810 3.727 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NCC(F)(F)C(C)(C)C ZINC001597020443 986400214 /nfs/dbraw/zinc/40/02/14/986400214.db2.gz CYKNMJOKYVUFET-UHFFFAOYSA-N -1 0 344.358 3.586 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)Nc1cccc2cc[nH]c21 ZINC001597022953 986425406 /nfs/dbraw/zinc/42/54/06/986425406.db2.gz RBQLYYBZOZLGPT-UHFFFAOYSA-N -1 0 339.351 3.909 20 0 EHADRM CCOc1cc(Cl)ccc1NC(=O)NCCCCCCC(=O)[O-] ZINC001597036214 986475856 /nfs/dbraw/zinc/47/58/56/986475856.db2.gz AKPIQVSNRANRND-UHFFFAOYSA-N -1 0 342.823 3.895 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001597038143 986483952 /nfs/dbraw/zinc/48/39/52/986483952.db2.gz GORKGABGHRRITG-UHFFFAOYSA-N -1 0 339.819 3.504 20 0 EHADRM C[C@H]1COc2ccccc2CN1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC001594607528 986581810 /nfs/dbraw/zinc/58/18/10/986581810.db2.gz LILSMNGCNMCQES-LBPRGKRZSA-N -1 0 331.799 3.821 20 0 EHADRM C[C@H]1COc2ccccc2[C@H]1OC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001594608298 986591858 /nfs/dbraw/zinc/59/18/58/986591858.db2.gz XABRAHACDLXVGT-DJJJIMSYSA-N -1 0 340.375 3.630 20 0 EHADRM C[C@H]1CSc2ccccc2N1C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001594612346 986608321 /nfs/dbraw/zinc/60/83/21/986608321.db2.gz KMMUAHNCBZRZBN-MLRMMBSGSA-N -1 0 329.377 3.518 20 0 EHADRM C[C@H](C(=O)N[C@H]1CCCC[C@H]1C(=O)[O-])c1ccccc1C(F)(F)F ZINC001589423408 986678025 /nfs/dbraw/zinc/67/80/25/986678025.db2.gz REPKARFKSSPSQF-SUHUHFCYSA-N -1 0 343.345 3.569 20 0 EHADRM CCOc1ccc(CCC(=O)Oc2cc(Cl)ccc2C(=O)[O-])cc1 ZINC001597095719 986696451 /nfs/dbraw/zinc/69/64/51/986696451.db2.gz MYPBWEYYBPBQCI-UHFFFAOYSA-N -1 0 348.782 3.975 20 0 EHADRM C[C@H](C(=O)Nc1cc(C(F)(F)F)cnc1C(=O)[O-])c1ccsc1 ZINC001589429176 986707641 /nfs/dbraw/zinc/70/76/41/986707641.db2.gz LIDZZSSQBLEIFD-ZETCQYMHSA-N -1 0 344.314 3.602 20 0 EHADRM CCOc1ccc(N(C)C(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC001597105119 986732837 /nfs/dbraw/zinc/73/28/37/986732837.db2.gz CEAXNSLCVXYHMH-UHFFFAOYSA-N -1 0 332.331 3.591 20 0 EHADRM CCOc1ccc(CNc2cc(C(F)(F)F)c(C(=O)[O-])cn2)cc1 ZINC001597105757 986742501 /nfs/dbraw/zinc/74/25/01/986742501.db2.gz RQHKYSDJLPPPEG-UHFFFAOYSA-N -1 0 340.301 3.809 20 0 EHADRM CCOc1ccc(Cl)c(NC(=O)N[C@](C)(CC(=O)[O-])C2CC2)c1 ZINC001597106849 986751238 /nfs/dbraw/zinc/75/12/38/986751238.db2.gz VQCCETWRGJLJSU-MRXNPFEDSA-N -1 0 340.807 3.504 20 0 EHADRM CCOc1ccc(Cl)c(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC001597107095 986753119 /nfs/dbraw/zinc/75/31/19/986753119.db2.gz YPTIZSOHGVYPGD-QWRGUYRKSA-N -1 0 325.792 3.568 20 0 EHADRM CCOc1ccc(NC(=O)[C@H]2CCC(C)=C(C)C2)c(C(=O)[O-])c1F ZINC001597112980 986785157 /nfs/dbraw/zinc/78/51/57/986785157.db2.gz PPIIHULSHWFWFK-LBPRGKRZSA-N -1 0 335.375 3.998 20 0 EHADRM C[C@H](C(=O)Nc1cccnc1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001589445149 986808102 /nfs/dbraw/zinc/80/81/02/986808102.db2.gz VKMOVCCZRVTYGH-VIFPVBQESA-N -1 0 338.285 3.541 20 0 EHADRM CCOc1cccc(/C=C/C(=O)N[C@@]2(C(=O)[O-])CCCC(C)(C)C2)c1 ZINC001597149386 986918777 /nfs/dbraw/zinc/91/87/77/986918777.db2.gz JLHHPIBHNJHGOL-XTXLJPNXSA-N -1 0 345.439 3.638 20 0 EHADRM CCOc1cccc(CSc2nc3ccc(C(=O)[O-])cc3o2)n1 ZINC001597155617 986952612 /nfs/dbraw/zinc/95/26/12/986952612.db2.gz QBNBNGIUFWYZSK-UHFFFAOYSA-N -1 0 330.365 3.612 20 0 EHADRM C[C@@H]1Sc2ccccc2N(C(=O)/C=C/c2ccc(C(=O)[O-])o2)[C@H]1C ZINC001594666190 986963130 /nfs/dbraw/zinc/96/31/30/986963130.db2.gz QQONWSLIJQAIDV-IMNITIESSA-N -1 0 343.404 3.907 20 0 EHADRM C[C@@H]1c2sccc2CCN1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001594673051 986989999 /nfs/dbraw/zinc/98/99/99/986989999.db2.gz CSYPQCGJYZYKDP-GFCCVEGCSA-N -1 0 344.436 3.917 20 0 EHADRM COCCOc1cccc(-c2cccc(OCCCC(=O)[O-])c2)c1 ZINC000579853593 1015269854 /nfs/dbraw/zinc/26/98/54/1015269854.db2.gz VRUOTAZSXBSJAA-UHFFFAOYSA-N -1 0 330.380 3.622 20 0 EHADRM CCOc1ccccc1[C@@H](CC(C)C)Nc1ccc(C(=O)[O-])nn1 ZINC001597173530 987019636 /nfs/dbraw/zinc/01/96/36/987019636.db2.gz XGWKWMPKBQEYKB-OAHLLOKOSA-N -1 0 329.400 3.773 20 0 EHADRM CC/C(=C/C(=O)Oc1ccc(C(=O)[O-])cc1)c1ccc(OC)cc1 ZINC001594693875 987104273 /nfs/dbraw/zinc/10/42/73/987104273.db2.gz FMLAIVXFRYBVQX-SEYXRHQNSA-N -1 0 326.348 3.792 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CC(C)(C)[C@H]3CCC[C@H]32)cc1 ZINC001589509241 987132149 /nfs/dbraw/zinc/13/21/49/987132149.db2.gz OXUWDZBPMKRODZ-UHOFOFEASA-N -1 0 330.428 3.917 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)cc1 ZINC001589510863 987137107 /nfs/dbraw/zinc/13/71/07/987137107.db2.gz XEIFJWGXOKTDFH-CLROSIBMSA-N -1 0 330.428 3.917 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)Nc2cnn([C@@H](C)C3CC3)c2)cc1 ZINC001589513082 987154407 /nfs/dbraw/zinc/15/44/07/987154407.db2.gz YTVNFSHTGOJCSX-NEPJUHHUSA-N -1 0 342.399 3.686 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2ncccc2-c2ccccn2)cc1 ZINC001589520804 987163021 /nfs/dbraw/zinc/16/30/21/987163021.db2.gz DAPOWUPVBGEDHN-ZDUSSCGKSA-N -1 0 347.374 3.584 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cnc(-c3ccccc3)nc2)cc1 ZINC001589520717 987163051 /nfs/dbraw/zinc/16/30/51/987163051.db2.gz BYRPLSWPSDWOGJ-CYBMUJFWSA-N -1 0 347.374 3.584 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2Cc3ccccc3S2)c1 ZINC001589521557 987166966 /nfs/dbraw/zinc/16/69/66/987166966.db2.gz ATZQJMGULPUIBG-ZBEGNZNMSA-N -1 0 327.405 3.530 20 0 EHADRM CCC(=O)c1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1 ZINC001594717226 987193230 /nfs/dbraw/zinc/19/32/30/987193230.db2.gz UEVOFZYYTDNDIW-UHFFFAOYSA-N -1 0 329.396 3.643 20 0 EHADRM CCC(=O)c1cc(C(=O)Oc2cc(C(=O)[O-])cc(F)c2C)ccc1F ZINC001594717820 987196877 /nfs/dbraw/zinc/19/68/77/987196877.db2.gz KKNIOQKPHIEYES-UHFFFAOYSA-N -1 0 348.301 3.783 20 0 EHADRM CCC(=O)c1ccc(C(=O)NC[C@@H](C(=O)[O-])C2CCCCCC2)cc1 ZINC001594718120 987198375 /nfs/dbraw/zinc/19/83/75/987198375.db2.gz QPWIOOKAJVDKOT-QGZVFWFLSA-N -1 0 345.439 3.680 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(Nc2nnc(-c3ccccn3)s2)c1 ZINC001589540364 987242368 /nfs/dbraw/zinc/24/23/68/987242368.db2.gz VPBATLWTEAIJSU-SNVBAGLBSA-N -1 0 326.381 3.532 20 0 EHADRM C[C@@H](C(=O)OCc1ccc(F)cc1C(=O)[O-])c1ccc(F)c(F)c1 ZINC001589545782 987265573 /nfs/dbraw/zinc/26/55/73/987265573.db2.gz AOCXCMGYNDFBOJ-SECBINFHSA-N -1 0 338.281 3.649 20 0 EHADRM Cc1conc1[N-]S(=O)(=O)c1c(C)sc2ccc(Cl)cc21 ZINC000153478354 1125499023 /nfs/dbraw/zinc/49/90/23/1125499023.db2.gz FAURXBIUYGSTJV-UHFFFAOYSA-N -1 0 342.829 3.960 20 0 EHADRM C[C@H](C(=O)OCc1ccoc1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001589547853 987272393 /nfs/dbraw/zinc/27/23/93/987272393.db2.gz UELJDYYSNTXPMB-VIFPVBQESA-N -1 0 342.269 3.844 20 0 EHADRM CCSCc1ccc(C(=O)NCC2(CC(=O)[O-])CCCC2)cc1 ZINC001597265428 987297327 /nfs/dbraw/zinc/29/73/27/987297327.db2.gz VEWIFMNMWAVHGK-UHFFFAOYSA-N -1 0 335.469 3.705 20 0 EHADRM C[C@H](C(=O)Oc1ccc(CC(=O)[O-])cc1F)c1cc2ccccc2o1 ZINC001589554086 987297587 /nfs/dbraw/zinc/29/75/87/987297587.db2.gz WIHFUSCMWKHFNQ-NSHDSACASA-N -1 0 342.322 3.908 20 0 EHADRM CCSc1cccc(C(=O)Nc2nc(CC)c(C(=O)[O-])s2)c1 ZINC001597272671 987322254 /nfs/dbraw/zinc/32/22/54/987322254.db2.gz IDUBZQAYSQZPPF-UHFFFAOYSA-N -1 0 336.438 3.768 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597272787 987324101 /nfs/dbraw/zinc/32/41/01/987324101.db2.gz LYWAFPVBUNKMTR-JGZJWPJOSA-N -1 0 342.848 3.779 20 0 EHADRM CCSc1cccc(N[C@@H](C(=O)OC)c2cccc(C(=O)[O-])c2)c1 ZINC001597277073 987333346 /nfs/dbraw/zinc/33/33/46/987333346.db2.gz FXDQDAIXMDXDBJ-MRXNPFEDSA-N -1 0 345.420 3.823 20 0 EHADRM CCSc1ccccc1CC(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC001597279512 987342176 /nfs/dbraw/zinc/34/21/76/987342176.db2.gz JVMMNRLBRRFURO-INIZCTEOSA-N -1 0 349.496 3.881 20 0 EHADRM CCSc1nnc(S[C@@H](C(=O)[O-])c2cccc(OC)c2)s1 ZINC001597279426 987342318 /nfs/dbraw/zinc/34/23/18/987342318.db2.gz HLRBQUOWZWWHLD-SNVBAGLBSA-N -1 0 342.467 3.577 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)Cc2ccc(C3CCC3)cc2)C1 ZINC001589605045 987447626 /nfs/dbraw/zinc/44/76/26/987447626.db2.gz AUULTOXZFUSEPU-SFHVURJKSA-N -1 0 343.467 3.846 20 0 EHADRM CCc1[nH]c(C(=O)N(C)[C@H]2CCC[C@@H]2C(C)(C)C)c(C)c1C(=O)[O-] ZINC001597354802 987499057 /nfs/dbraw/zinc/49/90/57/987499057.db2.gz QBHJGVJQVUVLRP-JSGCOSHPSA-N -1 0 334.460 3.871 20 0 EHADRM CCc1[nH]c(CN2C[C@H](C)Oc3c(Cl)cccc32)cc1C(=O)[O-] ZINC001597384369 987588410 /nfs/dbraw/zinc/58/84/10/987588410.db2.gz KRLYAWBPPBDUSP-JTQLQIEISA-N -1 0 334.803 3.716 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(NC(=O)C2(c3ccccc3)CCC2)n1 ZINC001589649801 987593590 /nfs/dbraw/zinc/59/35/90/987593590.db2.gz WWRWLFYRLXKQGX-UHFFFAOYSA-N -1 0 344.436 3.566 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(NC(=O)N[C@H]2CCCCC2(C)C)n1 ZINC001589655227 987613630 /nfs/dbraw/zinc/61/36/30/987613630.db2.gz UGPQFCSBKGDKST-JTQLQIEISA-N -1 0 339.461 3.596 20 0 EHADRM CC(C)(C(=O)[O-])c1csc(NC(=O)c2ccccc2C(F)F)n1 ZINC001589657212 987629760 /nfs/dbraw/zinc/62/97/60/987629760.db2.gz UEDUQJZWMKIOKD-UHFFFAOYSA-N -1 0 340.351 3.695 20 0 EHADRM CCc1[nH]c(CNc2cc(F)cc(OC(F)F)c2)cc1C(=O)[O-] ZINC001597394705 987643197 /nfs/dbraw/zinc/64/31/97/987643197.db2.gz DMJCNBZDHNPTBR-UHFFFAOYSA-N -1 0 328.290 3.628 20 0 EHADRM CCc1c(Nc2nc(Cl)c(C(=O)[O-])s2)cnn1CC(C)C ZINC001597419553 987724246 /nfs/dbraw/zinc/72/42/46/987724246.db2.gz CXEDXDBRYJRFHE-UHFFFAOYSA-N -1 0 328.825 3.653 20 0 EHADRM CC(C)(C)C(=O)CS[C@@H](C(=O)[O-])c1ccccc1Br ZINC001589685957 987729121 /nfs/dbraw/zinc/72/91/21/987729121.db2.gz LLQVCSCWFVCYHW-GFCCVEGCSA-N -1 0 345.258 3.923 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)CCCCCc1cccs1 ZINC001589700401 987790923 /nfs/dbraw/zinc/79/09/23/987790923.db2.gz KTSNSSNLFUAXIS-CQSZACIVSA-N -1 0 325.474 3.857 20 0 EHADRM CCc1cc(C(=O)Nc2ccccc2C(=O)[O-])ccc1Br ZINC001597438317 987791043 /nfs/dbraw/zinc/79/10/43/987791043.db2.gz ZTFYLIMDACLQNJ-UHFFFAOYSA-N -1 0 348.196 3.962 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N(C)[C@H]1C[C@@](C)(OC)C1(C)C ZINC001597451488 987842568 /nfs/dbraw/zinc/84/25/68/987842568.db2.gz CCRUTZUDVVQRNF-HNAYVOBHSA-N -1 0 348.443 3.615 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCCC[C@H]1[C@H]1CCCO1 ZINC001597451821 987843545 /nfs/dbraw/zinc/84/35/45/987843545.db2.gz AOCLANLXQWXBNP-DLBZAZTESA-N -1 0 346.427 3.513 20 0 EHADRM Cc1ccc(CCC(=O)[N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000069638974 1015340378 /nfs/dbraw/zinc/34/03/78/1015340378.db2.gz XWJHVABEJXCUEW-UHFFFAOYSA-N -1 0 339.363 3.551 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCC[C@H]1CC1(Cl)Cl ZINC001597457424 987873469 /nfs/dbraw/zinc/87/34/69/987873469.db2.gz KZUIZTFFQPHLJR-NSHDSACASA-N -1 0 345.226 3.653 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCCO[C@H]1CCCC[C@H]1C ZINC001597459345 987885404 /nfs/dbraw/zinc/88/54/04/987885404.db2.gz GLNLUZPWOKGGGW-DYVFJYSZSA-N -1 0 348.443 3.664 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)Nc1cccc(COC)c1 ZINC001597463744 987893726 /nfs/dbraw/zinc/89/37/26/987893726.db2.gz CVROGSAMZUCLBV-UHFFFAOYSA-N -1 0 328.368 3.738 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cnc(Cl)c(Cl)c1 ZINC001597465335 987903645 /nfs/dbraw/zinc/90/36/45/987903645.db2.gz UQCBJMOSHXUBCF-UHFFFAOYSA-N -1 0 339.178 3.901 20 0 EHADRM CC(C)(C)C1CCC(=CC(=O)N[C@@H](C(=O)[O-])c2ccc(O)cc2)CC1 ZINC001589726125 987904535 /nfs/dbraw/zinc/90/45/35/987904535.db2.gz GJIFCRRGTVFLSC-KPMSDPLLSA-N -1 0 345.439 3.797 20 0 EHADRM CCc1cc(C)cc(CC)c1NC(=O)N[C@@](C)(CC(=O)[O-])C1CC1 ZINC001597471398 987933103 /nfs/dbraw/zinc/93/31/03/987933103.db2.gz HXWHMHGNVASRBO-IBGZPJMESA-N -1 0 332.444 3.885 20 0 EHADRM CS[C@@H](CNC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)C(C)(C)C ZINC001599787009 987940266 /nfs/dbraw/zinc/94/02/66/987940266.db2.gz JFRXSHIUTUZXIH-NSHDSACASA-N -1 0 346.399 3.562 20 0 EHADRM CS[C@H]1CC[C@@H](N(C)C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)C1 ZINC001599787364 987946384 /nfs/dbraw/zinc/94/63/84/987946384.db2.gz CNQYHHXALVOPHR-NEPJUHHUSA-N -1 0 347.440 3.614 20 0 EHADRM CS[C@@H]1CCN(C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])C1 ZINC001599790524 987999172 /nfs/dbraw/zinc/99/91/72/987999172.db2.gz IIHQUUOVJVKURM-SECBINFHSA-N -1 0 342.486 3.713 20 0 EHADRM CCc1ccc(C(=O)N2CCCC[C@@H]2c2ccc(C(=O)[O-])n2C)s1 ZINC001597498428 988044906 /nfs/dbraw/zinc/04/49/06/988044906.db2.gz BJUWXGUNBAOENE-CQSZACIVSA-N -1 0 346.452 3.715 20 0 EHADRM CSCC1(CC(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)CC1 ZINC001599793476 988050607 /nfs/dbraw/zinc/05/06/07/988050607.db2.gz KHQKAPDEUCHTCC-OAHLLOKOSA-N -1 0 341.517 3.840 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)c1csc(C2CCCCC2)n1)C(=O)[O-] ZINC001589751702 988054810 /nfs/dbraw/zinc/05/48/10/988054810.db2.gz IIBFZYDSLCQGNG-GFCCVEGCSA-N -1 0 338.473 3.810 20 0 EHADRM CC(C)(C)C[C@H](Nc1ccnc(Cc2ccc(F)cc2)n1)C(=O)[O-] ZINC001589757313 988073446 /nfs/dbraw/zinc/07/34/46/988073446.db2.gz SGWTZCJALDUIII-AWEZNQCLSA-N -1 0 331.391 3.508 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N[C@@]2(C(=O)[O-])CCCC(C)(C)C2)cc1 ZINC001597511539 988092077 /nfs/dbraw/zinc/09/20/77/988092077.db2.gz BVPHTXRYAQYGTG-VLIAUNLRSA-N -1 0 331.456 3.892 20 0 EHADRM CCc1ccc([C@@H](C)CC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC001597511601 988092137 /nfs/dbraw/zinc/09/21/37/988092137.db2.gz GCXXSHDNWOTWFM-YCRPNKLZSA-N -1 0 339.435 3.859 20 0 EHADRM CC(C)(C)CCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001589771747 988124129 /nfs/dbraw/zinc/12/41/29/988124129.db2.gz FTLGTWJZNWDHAI-UHFFFAOYSA-N -1 0 347.864 3.533 20 0 EHADRM CCc1ccc([C@@H](NC(=O)[C@H](C)CC(=O)[O-])c2cccc(F)c2)cc1 ZINC001597514893 988124823 /nfs/dbraw/zinc/12/48/23/988124823.db2.gz XSXDZAUGRZYJDO-BFUOFWGJSA-N -1 0 343.398 3.705 20 0 EHADRM CSCC[C@H](OC(=O)c1ccc2c(c1)Cc1ccccc1-2)C(=O)[O-] ZINC001599798363 988134989 /nfs/dbraw/zinc/13/49/89/988134989.db2.gz NGEAUNXJYRJKGK-KRWDZBQOSA-N -1 0 342.416 3.621 20 0 EHADRM CCc1ccc([C@H]2CCCCCN2C(=O)N[C@H]2CC=C(C(=O)[O-])C2)o1 ZINC001597517843 988135346 /nfs/dbraw/zinc/13/53/46/988135346.db2.gz QBLWQBVQHOULKL-GOEBONIOSA-N -1 0 346.427 3.642 20 0 EHADRM CSCCCCCCNC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001599799334 988150109 /nfs/dbraw/zinc/15/01/09/988150109.db2.gz FNANWTSOLNOGIV-UHFFFAOYSA-N -1 0 326.487 3.595 20 0 EHADRM CC(C)(C)CN(Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC001589780803 988155967 /nfs/dbraw/zinc/15/59/67/988155967.db2.gz OBUZQRWVGNYQMM-UHFFFAOYSA-N -1 0 341.411 3.860 20 0 EHADRM CCc1ccc(CN(C)C(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC001597524700 988163348 /nfs/dbraw/zinc/16/33/48/988163348.db2.gz HPGOATCBXABBEO-UHFFFAOYSA-N -1 0 331.799 3.873 20 0 EHADRM CC(C)(C)Cc1ncc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)s1 ZINC001589792189 988178994 /nfs/dbraw/zinc/17/89/94/988178994.db2.gz CZJXFFYEJSHOCG-UHFFFAOYSA-N -1 0 336.388 3.821 20 0 EHADRM CSCCc1ccc(N[C@H](Cc2ccc(F)cc2)C(=O)[O-])cc1 ZINC001599801834 988190184 /nfs/dbraw/zinc/19/01/84/988190184.db2.gz FEMOKLFDZHHVAS-QGZVFWFLSA-N -1 0 333.428 3.839 20 0 EHADRM CC(C)(C)N(Cc1ccsc1)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001589796855 988198079 /nfs/dbraw/zinc/19/80/79/988198079.db2.gz XEEXOMKQJYGOQD-ALCCZGGFSA-N -1 0 333.409 3.880 20 0 EHADRM CSCc1cc(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)ccc1F ZINC001599802482 988199876 /nfs/dbraw/zinc/19/98/76/988199876.db2.gz MQRGHAWQVIYCTN-UHFFFAOYSA-N -1 0 333.384 3.948 20 0 EHADRM CSCc1cccc(-c2noc(C34CCC(C(=O)[O-])(CC3)C4)n2)c1 ZINC001599803453 988215963 /nfs/dbraw/zinc/21/59/63/988215963.db2.gz YYWWQTGYOJLANG-UHFFFAOYSA-N -1 0 344.436 3.886 20 0 EHADRM CCc1ccc(NC(=O)C2=Cc3cc(C)ccc3OC2)c(C(=O)[O-])c1 ZINC001597543209 988238688 /nfs/dbraw/zinc/23/86/88/988238688.db2.gz XARZTVXCWQIHKY-UHFFFAOYSA-N -1 0 337.375 3.670 20 0 EHADRM CC(C)(C)N1CC[C@H](SCc2cccc(C(=O)[O-])c2Cl)C1=O ZINC001589816082 988257815 /nfs/dbraw/zinc/25/78/15/988257815.db2.gz UXJRFHIAPCOJMT-LBPRGKRZSA-N -1 0 341.860 3.671 20 0 EHADRM CSc1c(F)cccc1C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC001599806547 988265534 /nfs/dbraw/zinc/26/55/34/988265534.db2.gz YSMYMAIOXWOQPO-UHFFFAOYSA-N -1 0 339.432 3.703 20 0 EHADRM CSc1c(F)cccc1NCc1cc(C(=O)[O-])c2n1CCCC2 ZINC001599807339 988277133 /nfs/dbraw/zinc/27/71/33/988277133.db2.gz DCUMQPYWVIIUEI-UHFFFAOYSA-N -1 0 334.416 3.996 20 0 EHADRM CSc1cc(C(=O)OCc2ccsc2C(=O)[O-])ccc1F ZINC001599808562 988295574 /nfs/dbraw/zinc/29/55/74/988295574.db2.gz LHSNXFOWGUNONM-UHFFFAOYSA-N -1 0 326.370 3.664 20 0 EHADRM CCc1ccc(S(=O)(=O)Cc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC001597557305 988296692 /nfs/dbraw/zinc/29/66/92/988296692.db2.gz FOHWTADZDHNZDE-UHFFFAOYSA-N -1 0 338.812 3.575 20 0 EHADRM CSc1cc(NC(=O)NCc2ccc(C(=O)[O-])cc2F)ccc1C ZINC001599809881 988315486 /nfs/dbraw/zinc/31/54/86/988315486.db2.gz RWAFMHDJVZRPDV-UHFFFAOYSA-N -1 0 348.399 3.876 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2CC3CCC2CC3)cc1 ZINC001599810476 988326068 /nfs/dbraw/zinc/32/60/68/988326068.db2.gz YSBVDUMNJFZWAX-SMELUJQZSA-N -1 0 347.480 3.867 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)/C=C\c1ccc(Cl)nc1 ZINC001597571745 988351272 /nfs/dbraw/zinc/35/12/72/988351272.db2.gz GMQUZPLTGFOVAG-CLFYSBASSA-N -1 0 330.771 3.648 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1cc(C)n([C@@H](C)CC)n1 ZINC001597572510 988354297 /nfs/dbraw/zinc/35/42/97/988354297.db2.gz LHUBLONBWZRTRR-NSHDSACASA-N -1 0 329.400 3.675 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)CCc1cccc(OC)c1F ZINC001597572821 988355175 /nfs/dbraw/zinc/35/51/75/988355175.db2.gz NNBLVKBMQLEGGK-UHFFFAOYSA-N -1 0 345.370 3.666 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)[C@@H](C)c1cccc(OC)c1 ZINC001597576206 988364290 /nfs/dbraw/zinc/36/42/90/988364290.db2.gz IPAGDLIKJOTQAB-LBPRGKRZSA-N -1 0 327.380 3.698 20 0 EHADRM CCc1cccc(C(=O)[O-])c1NC(=O)c1nn(-c2ccccc2)cc1C ZINC001597593094 988425304 /nfs/dbraw/zinc/42/53/04/988425304.db2.gz MFBRFDINANJZKO-UHFFFAOYSA-N -1 0 349.390 3.694 20 0 EHADRM CSc1ccc(NC(=O)Cn2ccc3ccccc32)cc1C(=O)[O-] ZINC001599816568 988436511 /nfs/dbraw/zinc/43/65/11/988436511.db2.gz HRVKOZNOKDUCNZ-UHFFFAOYSA-N -1 0 340.404 3.700 20 0 EHADRM CSc1ccc(NC(=O)N[C@@H]2CC[C@H](SC)C2)cc1C(=O)[O-] ZINC001599817742 988456187 /nfs/dbraw/zinc/45/61/87/988456187.db2.gz JUHSYZBPSCDFKP-KOLCDFICSA-N -1 0 340.470 3.512 20 0 EHADRM CSc1ccc(NC(=O)NC[C@H](C)CC(F)F)cc1C(=O)[O-] ZINC001599818225 988465309 /nfs/dbraw/zinc/46/53/09/988465309.db2.gz BZEPLTDBCGTUHJ-MRVPVSSYSA-N -1 0 332.372 3.520 20 0 EHADRM CSc1ccc(NC(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001599818544 988471517 /nfs/dbraw/zinc/47/15/17/988471517.db2.gz VCEMAJHBOBHVFB-OAHLLOKOSA-N -1 0 348.399 3.538 20 0 EHADRM CSc1ccc(O)c(C(=O)Nc2c(C)sc(C)c2C(=O)[O-])c1 ZINC001599819770 988491284 /nfs/dbraw/zinc/49/12/84/988491284.db2.gz HCUYECSSODMONG-UHFFFAOYSA-N -1 0 337.422 3.743 20 0 EHADRM Fc1ccc2c(c1)[C@@H](N=c1[n-]nc(-c3ccccc3)s1)CCO2 ZINC000547709563 1015394471 /nfs/dbraw/zinc/39/44/71/1015394471.db2.gz BCQCAQSSWGACHH-AWEZNQCLSA-N -1 0 327.384 3.702 20 0 EHADRM CSc1cccc(N(C)Cc2cc(C(=O)[O-])c3n2CCCC3)c1 ZINC001599822669 988541908 /nfs/dbraw/zinc/54/19/08/988541908.db2.gz WTVRBWLJMFDYGJ-UHFFFAOYSA-N -1 0 330.453 3.881 20 0 EHADRM CSc1ccccc1N(C)C(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001599824089 988566490 /nfs/dbraw/zinc/56/64/90/988566490.db2.gz QJXLXFTXYCRCAT-AUUYWEPGSA-N -1 0 341.432 3.630 20 0 EHADRM CSc1ccccc1N(C)C(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001599824092 988566805 /nfs/dbraw/zinc/56/68/05/988566805.db2.gz QJXLXFTXYCRCAT-LIRRHRJNSA-N -1 0 341.432 3.630 20 0 EHADRM CCc1ccsc1C(=O)N1c2ccccc2C[C@H](C)[C@@H]1C(=O)[O-] ZINC001597626437 988576843 /nfs/dbraw/zinc/57/68/43/988576843.db2.gz RAGGZQGZNLAJIN-XHDPSFHLSA-N -1 0 329.421 3.603 20 0 EHADRM C[C@@H](CC(=O)[O-])Nc1nc(-c2cccc(Cl)c2)nc2c1CCCC2 ZINC001599833209 988704629 /nfs/dbraw/zinc/70/46/29/988704629.db2.gz IQESIKHRWYOLNZ-NSHDSACASA-N -1 0 345.830 3.951 20 0 EHADRM C[C@@H](NC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1)C1CCCCCC1 ZINC001599837396 988765629 /nfs/dbraw/zinc/76/56/29/988765629.db2.gz BGRODEFRXFTLPL-WIBUTAKZSA-N -1 0 329.440 3.720 20 0 EHADRM CCc1nc2sccc2c(N2CCc3cccc(C(=O)[O-])c3C2)n1 ZINC001597673630 988774696 /nfs/dbraw/zinc/77/46/96/988774696.db2.gz XLBUJIZPRXSESB-UHFFFAOYSA-N -1 0 339.420 3.515 20 0 EHADRM CC(C)(C)OC(=O)N1CC[C@H](CSc2ccc(C(=O)[O-])cc2)C1 ZINC001589979789 988848877 /nfs/dbraw/zinc/84/88/77/988848877.db2.gz YOINXOIKOHKGRN-LBPRGKRZSA-N -1 0 337.441 3.734 20 0 EHADRM CCc1nnc([C@@H](C)SCc2cccc(C(=O)[O-])c2Cl)o1 ZINC001597730546 989048497 /nfs/dbraw/zinc/04/84/97/989048497.db2.gz WDVBJKARLXUJDU-MRVPVSSYSA-N -1 0 326.805 3.978 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN1C[C@@H](C)Oc2ccc(Cl)cc21 ZINC001597762329 989195595 /nfs/dbraw/zinc/19/55/95/989195595.db2.gz CPXPCBWGTZRCCH-SNVBAGLBSA-N -1 0 335.787 3.981 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN1CCc2[nH]c3ccc(C)cc3c2C1 ZINC001597766535 989214271 /nfs/dbraw/zinc/21/42/71/989214271.db2.gz VAROIQXVRYTGTN-UHFFFAOYSA-N -1 0 338.407 3.888 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)c1ccc2cc(C)ccc2n1 ZINC001597772440 989238987 /nfs/dbraw/zinc/23/89/87/989238987.db2.gz QDOJUFLFEZYHGN-UHFFFAOYSA-N -1 0 339.347 3.754 20 0 EHADRM CCc1oc([C@H]2Nc3ccccc3C(=O)N2CC(C)C)cc1C(=O)[O-] ZINC001597790978 989316507 /nfs/dbraw/zinc/31/65/07/989316507.db2.gz GZBUMUAQILYVLM-KRWDZBQOSA-N -1 0 342.395 3.763 20 0 EHADRM CCc1oc(CN2C[C@@H]3CCCCN3c3ccccc32)cc1C(=O)[O-] ZINC001597796023 989351000 /nfs/dbraw/zinc/35/10/00/989351000.db2.gz IICVWEMDFHSNQJ-AWEZNQCLSA-N -1 0 340.423 3.919 20 0 EHADRM CCc1oc(CN2CCCCc3c(OC)cccc32)cc1C(=O)[O-] ZINC001597798318 989364811 /nfs/dbraw/zinc/36/48/11/989364811.db2.gz AJUVBTGWEHWHNO-UHFFFAOYSA-N -1 0 329.396 3.892 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(F)c([O-])c(Cl)c2)CC2(CCCCC2)O1 ZINC000655379931 1015479336 /nfs/dbraw/zinc/47/93/36/1015479336.db2.gz BWSUZLYXOWUEEE-LLVKDONJSA-N -1 0 341.810 3.749 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC001599878539 989451493 /nfs/dbraw/zinc/45/14/93/989451493.db2.gz XHOQCSKRAHBKRO-RKDXNWHRSA-N -1 0 349.736 3.684 20 0 EHADRM CCn1c(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)cc2ccccc21 ZINC001597839819 989532513 /nfs/dbraw/zinc/53/25/13/989532513.db2.gz IYWIFAFZUUKWEK-UHFFFAOYSA-N -1 0 344.317 3.890 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c(Cl)c2)cn1 ZINC000339682107 1015508294 /nfs/dbraw/zinc/50/82/94/1015508294.db2.gz ORPCSJVRRGJAOB-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM CCn1ccnc1[C@H]1CCCCN1Cc1ccc(C(=O)[O-])c(C)c1 ZINC001597916545 989836929 /nfs/dbraw/zinc/83/69/29/989836929.db2.gz OVFAFLSXUYIWPK-QGZVFWFLSA-N -1 0 327.428 3.637 20 0 EHADRM CC(C)(C)OC(=O)c1cccc(COc2ccc(C(=O)[O-])cc2)c1 ZINC001590365255 989838140 /nfs/dbraw/zinc/83/81/40/989838140.db2.gz FESPMIXCHPXHAI-UHFFFAOYSA-N -1 0 328.364 3.919 20 0 EHADRM CC(C)(C)OCCCN[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001590388532 989908376 /nfs/dbraw/zinc/90/83/76/989908376.db2.gz PJZUVDYGDXRCDX-CYBMUJFWSA-N -1 0 333.350 3.783 20 0 EHADRM CCn1nc(C2CC2)cc1C(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC001597946037 989931143 /nfs/dbraw/zinc/93/11/43/989931143.db2.gz LKJIKDMNKGOQFU-UHFFFAOYSA-N -1 0 341.411 3.854 20 0 EHADRM CC(C)(C)O[C@H]1C[C@@H](Nc2cc(C(F)(F)F)c(C(=O)[O-])cn2)C1 ZINC001590408233 989940523 /nfs/dbraw/zinc/94/05/23/989940523.db2.gz NQWPHYWEXTXHSG-DTORHVGOSA-N -1 0 332.322 3.557 20 0 EHADRM CC(C)(C)Oc1c(F)cc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1F ZINC001590409009 989944355 /nfs/dbraw/zinc/94/43/55/989944355.db2.gz VNPSENVZGTUVFS-VHSXEESVSA-N -1 0 341.354 3.582 20 0 EHADRM CCn1ncc(C(=O)Nc2cccc(C(=O)[O-])c2C)c1-c1ccccc1 ZINC001597954960 989960686 /nfs/dbraw/zinc/96/06/86/989960686.db2.gz LNYLJYVPLXAYJJ-UHFFFAOYSA-N -1 0 349.390 3.829 20 0 EHADRM CC(C)(C)Oc1ccccc1NC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001590420116 989962901 /nfs/dbraw/zinc/96/29/01/989962901.db2.gz NLKDRTIPBPBZSE-HJWRWDBZSA-N -1 0 329.352 3.807 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)CCC2CCOCC2)s1 ZINC001590460978 990024839 /nfs/dbraw/zinc/02/48/39/990024839.db2.gz IPPACQNIFQKPGG-UHFFFAOYSA-N -1 0 339.457 3.889 20 0 EHADRM CC(C)(C)c1ccc(C(=O)NCc2ccccc2CC(=O)[O-])s1 ZINC001590475899 990051707 /nfs/dbraw/zinc/05/17/07/990051707.db2.gz ZZOCCVFPDPUXSA-UHFFFAOYSA-N -1 0 331.437 3.603 20 0 EHADRM CC(C)(C)c1ccc(C2CCC(NC(=O)C3(C(=O)[O-])CC3)CC2)cc1 ZINC001590479446 990052534 /nfs/dbraw/zinc/05/25/34/990052534.db2.gz AXYUZZREYILIQU-UHFFFAOYSA-N -1 0 343.467 3.991 20 0 EHADRM CC(C)(C)c1ccc(CC(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC001590479837 990056691 /nfs/dbraw/zinc/05/66/91/990056691.db2.gz JHNAJFLWOPIZHT-HNNXBMFYSA-N -1 0 345.464 3.920 20 0 EHADRM CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC001590479920 990058318 /nfs/dbraw/zinc/05/83/18/990058318.db2.gz MKPWCTUCYDTAGD-KRWDZBQOSA-N -1 0 340.423 3.988 20 0 EHADRM CC(C)(C)c1ccc(C(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)s1 ZINC001590481669 990075519 /nfs/dbraw/zinc/07/55/19/990075519.db2.gz NQLJGRLLDHEQBJ-AWEZNQCLSA-N -1 0 345.464 3.861 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCN(C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)C2 ZINC001590501035 990116709 /nfs/dbraw/zinc/11/67/09/990116709.db2.gz PHIFTECWRXTWIU-JKSUJKDBSA-N -1 0 343.467 3.760 20 0 EHADRM CC(C)(C)c1nc(NC(=O)c2ccc(Cl)o2)sc1C(=O)[O-] ZINC001590544486 990175987 /nfs/dbraw/zinc/17/59/87/990175987.db2.gz FMEJOIRIKCCAEI-UHFFFAOYSA-N -1 0 328.777 3.638 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)ccc2[nH]1 ZINC001590545317 990180461 /nfs/dbraw/zinc/18/04/61/990180461.db2.gz CMAZQRFALCZTTM-HAQNSBGRSA-N -1 0 343.427 3.690 20 0 EHADRM CC(C)(C)c1ncc(/C=C/C(=O)O[C@H](C(=O)[O-])c2ccccc2)s1 ZINC001590555881 990193855 /nfs/dbraw/zinc/19/38/55/990193855.db2.gz BXGNOQXCZLFMNF-FEAKQIBJSA-N -1 0 345.420 3.823 20 0 EHADRM CN(C(=O)CSCc1cc(C(=O)[O-])ccc1Cl)c1ccccc1 ZINC001598033435 990256000 /nfs/dbraw/zinc/25/60/00/990256000.db2.gz RPIWXCFRHXFMRO-UHFFFAOYSA-N -1 0 349.839 3.934 20 0 EHADRM CN(C(=O)Cc1cccc2ccccc21)c1ccc(OCC(=O)[O-])cc1 ZINC001598036826 990264662 /nfs/dbraw/zinc/26/46/62/990264662.db2.gz PCPYQZHSKANHHB-UHFFFAOYSA-N -1 0 349.386 3.509 20 0 EHADRM CN(C(=O)N[C@H](CC(C)(C)C)c1ccccc1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598042305 990281648 /nfs/dbraw/zinc/28/16/48/990281648.db2.gz UQCSCAHNDHLVEG-OWCLPIDISA-N -1 0 332.444 3.669 20 0 EHADRM CN(C(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccc2cc[nH]c2c1 ZINC001598056100 990313934 /nfs/dbraw/zinc/31/39/34/990313934.db2.gz DHKIKONOEDTPKB-UHFFFAOYSA-N -1 0 327.315 3.674 20 0 EHADRM CN(C(=O)Nc1ccc(C(=O)[O-])c2ccccc12)[C@@H]1CCSC1 ZINC001598057204 990323610 /nfs/dbraw/zinc/32/36/10/990323610.db2.gz SQHWLQFCSRFLAI-LLVKDONJSA-N -1 0 330.409 3.507 20 0 EHADRM CC(C)(CC(=O)O[C@H]1CCC[C@H](C(=O)[O-])C1)CC(=O)c1ccccc1 ZINC001590648968 990335323 /nfs/dbraw/zinc/33/53/23/990335323.db2.gz NHPSZWJESYFCSC-HOTGVXAUSA-N -1 0 346.423 3.862 20 0 EHADRM CN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1(Cc2ccccc2)CCCC1 ZINC001598067876 990360995 /nfs/dbraw/zinc/36/09/95/990360995.db2.gz CCFHHIFLWDWZAA-DLBZAZTESA-N -1 0 329.440 3.501 20 0 EHADRM CN(C(=O)[C@H]1CC[C@H](C2CCC2)CC1)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598071947 990366924 /nfs/dbraw/zinc/36/69/24/990366924.db2.gz AILMFLMQXJSOSF-KBAYOESNSA-N -1 0 329.440 3.877 20 0 EHADRM CN(C(=O)c1cc(Cl)cc2ccccc21)C1(C(=O)[O-])CCCC1 ZINC001598077594 990383567 /nfs/dbraw/zinc/38/35/67/990383567.db2.gz MPSVQKUOQJIAQG-UHFFFAOYSA-N -1 0 331.799 3.963 20 0 EHADRM CN(C(=O)c1cc2cccc(Cl)c2s1)C(C)(C)CC(=O)[O-] ZINC001598082068 990398161 /nfs/dbraw/zinc/39/81/61/990398161.db2.gz MBBILZZKMKDSJO-UHFFFAOYSA-N -1 0 325.817 3.880 20 0 EHADRM CC(C)(NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)[C@@H]1CCCCO1 ZINC001590856062 990744932 /nfs/dbraw/zinc/74/49/32/990744932.db2.gz YXCVNZJACZRLCZ-ZDUSSCGKSA-N -1 0 340.807 3.507 20 0 EHADRM CC(C)(O)CCSCc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001590898561 990844959 /nfs/dbraw/zinc/84/49/59/990844959.db2.gz IVJLZIQSTRDXDP-UHFFFAOYSA-N -1 0 337.466 3.903 20 0 EHADRM CC(C)=C(C)CC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001590913071 990894944 /nfs/dbraw/zinc/89/49/44/990894944.db2.gz WJBGXNQLWLYEQL-UHFFFAOYSA-N -1 0 327.380 3.988 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)N(CCC(=O)[O-])Cc2ccccc2)C1(C)C ZINC001590914541 990898833 /nfs/dbraw/zinc/89/88/33/990898833.db2.gz JEBMQIBFYYSAPF-AEFFLSMTSA-N -1 0 329.440 3.728 20 0 EHADRM COc1cccc2c1CC[C@@H](Nc1cc(C(=O)[O-])cc3cccnc31)C2 ZINC001599690416 991059651 /nfs/dbraw/zinc/05/96/51/991059651.db2.gz YBHHEUIYNRCJBI-MRXNPFEDSA-N -1 0 348.402 3.911 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC001590968660 991092398 /nfs/dbraw/zinc/09/23/98/991092398.db2.gz TVLHJGMHPUFMJP-HXUWFJFHSA-N -1 0 341.407 3.934 20 0 EHADRM COc1cccc2cc(C(=O)Nc3cccc([C@H](C)C(=O)[O-])c3)oc21 ZINC001599693602 991111404 /nfs/dbraw/zinc/11/14/04/991111404.db2.gz XHXNCSZDJHDCAC-NSHDSACASA-N -1 0 339.347 3.882 20 0 EHADRM CC(C)[C@H](CNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])Cc1ccccc1 ZINC001590988650 991187708 /nfs/dbraw/zinc/18/77/08/991187708.db2.gz NWAFCIRLARBQIN-OKZBNKHCSA-N -1 0 331.456 3.509 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1cccc(C(=O)[O-])n1)c1ccc(Cl)cc1 ZINC001590989182 991194783 /nfs/dbraw/zinc/19/47/83/991194783.db2.gz RWFVYGVZLLEMJL-CQSZACIVSA-N -1 0 346.814 3.603 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)CCc1cccc(Cl)c1 ZINC001598293896 991212859 /nfs/dbraw/zinc/21/28/59/991212859.db2.gz UQROQGBSMBRXIK-UHFFFAOYSA-N -1 0 346.814 3.676 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001590994258 991219262 /nfs/dbraw/zinc/21/92/62/991219262.db2.gz YSYARGWYSCRQNT-IBGZPJMESA-N -1 0 339.435 3.701 20 0 EHADRM CC(C)[C@@H](F)C(=O)N(C)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001590996605 991232931 /nfs/dbraw/zinc/23/29/31/991232931.db2.gz PFCSGOMDUYGZLV-NEPJUHHUSA-N -1 0 336.190 3.572 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)c1ccc2ccccc2c1 ZINC001598300735 991248688 /nfs/dbraw/zinc/24/86/88/991248688.db2.gz ZCWWGCTYWXJLIW-UHFFFAOYSA-N -1 0 334.375 3.856 20 0 EHADRM COc1ccccc1[C@@H]1CCCN1c1ncc(C(=O)[O-])cc1Cl ZINC001599703588 991259572 /nfs/dbraw/zinc/25/95/72/991259572.db2.gz HOQPZIIGOJBGPE-AWEZNQCLSA-N -1 0 332.787 3.783 20 0 EHADRM CN(C)c1ccc(C(=O)N(c2ccccc2C(=O)[O-])C2CCC2)cc1 ZINC001598307768 991277022 /nfs/dbraw/zinc/27/70/22/991277022.db2.gz KHTAWINLZIUTQN-UHFFFAOYSA-N -1 0 338.407 3.650 20 0 EHADRM CC(C)[C@@H](NC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1)C1CC1 ZINC001591014692 991292766 /nfs/dbraw/zinc/29/27/66/991292766.db2.gz PFSILLQESYIEDY-CYBMUJFWSA-N -1 0 328.771 3.733 20 0 EHADRM COc1ccccc1C[C@H](CNC(=O)[C@H](C)CCC(C)(C)C)C(=O)[O-] ZINC001599706226 991296653 /nfs/dbraw/zinc/29/66/53/991296653.db2.gz GKEXLYRSSRWGSC-GDBMZVCRSA-N -1 0 349.471 3.517 20 0 EHADRM CN(C)c1ccc(OC(=O)c2csc3ccccc23)cc1C(=O)[O-] ZINC001598328424 991349906 /nfs/dbraw/zinc/34/99/06/991349906.db2.gz LPCVWWYEDKNXOM-UHFFFAOYSA-N -1 0 341.388 3.885 20 0 EHADRM CC(C)[C@]1(C)C[C@H]1NC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001591060939 991495352 /nfs/dbraw/zinc/49/53/52/991495352.db2.gz BUGSPEDBYVOQPR-ABAIWWIYSA-N -1 0 328.771 3.733 20 0 EHADRM CC(C)[C@]1(C)C[C@H]1C(=O)OCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001591062054 991506134 /nfs/dbraw/zinc/50/61/34/991506134.db2.gz SEITUOIYKKDBGP-KXBFYZLASA-N -1 0 343.379 3.765 20 0 EHADRM COc1cncc(/C=C/CCS[C@@H](C)c2nc(C(=O)[O-])co2)c1 ZINC001599726428 991633987 /nfs/dbraw/zinc/63/39/87/991633987.db2.gz MCOJVVYMXIZFJF-TZNOJPMFSA-N -1 0 334.397 3.674 20 0 EHADRM CC(C)[C@@H]1N(C(=O)c2ccc(C(=O)[O-])cc2F)CC12CCCCC2 ZINC001591099847 991716245 /nfs/dbraw/zinc/71/62/45/991716245.db2.gz QWNXSZAEGUDVJX-INIZCTEOSA-N -1 0 333.403 3.955 20 0 EHADRM COc1nc(NCc2ccc(F)cc2C(F)(F)F)ccc1C(=O)[O-] ZINC001599732275 991725231 /nfs/dbraw/zinc/72/52/31/991725231.db2.gz XWZDHDPMSLAXCQ-UHFFFAOYSA-N -1 0 344.264 3.558 20 0 EHADRM COc1nccc2cc(N[C@H](C)c3ncc(C(=O)[O-])s3)ccc21 ZINC001599736694 991785898 /nfs/dbraw/zinc/78/58/98/991785898.db2.gz FVTOTTWZHPCNHY-SECBINFHSA-N -1 0 329.381 3.571 20 0 EHADRM CC(C)CC(C)(C)C(=O)N1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001591124408 991815685 /nfs/dbraw/zinc/81/56/85/991815685.db2.gz PSYUJESYTMCHQB-LBPRGKRZSA-N -1 0 338.473 3.620 20 0 EHADRM CC(C)C[C@@H](C)OC(=O)N(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001591138500 991859337 /nfs/dbraw/zinc/85/93/37/991859337.db2.gz ZMJMZENWKGKNRH-YMTOWFKASA-N -1 0 347.333 3.733 20 0 EHADRM CC(C)C[C@@H](C)n1nccc1NC(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001591138665 991860184 /nfs/dbraw/zinc/86/01/84/991860184.db2.gz RACYPYKTKCALIO-LLVKDONJSA-N -1 0 333.363 3.580 20 0 EHADRM CC(C)C[C@@H](C)OC(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001591139002 991862080 /nfs/dbraw/zinc/86/20/80/991862080.db2.gz XADWDDJMPZWUDK-CJNGLKHVSA-N -1 0 333.428 3.966 20 0 EHADRM CN(CC1(c2ccccc2)CC1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001598444175 991879640 /nfs/dbraw/zinc/87/96/40/991879640.db2.gz YYPROTTXHRRJFG-UHFFFAOYSA-N -1 0 338.407 3.509 20 0 EHADRM CC(C)C[C@H](NC(=O)c1c[nH]c(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001591179105 991980412 /nfs/dbraw/zinc/98/04/12/991980412.db2.gz ZWOCBNFYXXSFJG-AWEZNQCLSA-N -1 0 334.803 3.884 20 0 EHADRM CN(CCC(C)(C)C)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001598472199 992044630 /nfs/dbraw/zinc/04/46/30/992044630.db2.gz KNRQSZNXSLGXHU-UHFFFAOYSA-N -1 0 344.358 3.886 20 0 EHADRM CC(C)CC[C@@H](NS(=O)(=O)c1ccccc1C(=O)[O-])C(C)(C)C ZINC001591223128 992095513 /nfs/dbraw/zinc/09/55/13/992095513.db2.gz XLZLMHPZRUPEJX-OAHLLOKOSA-N -1 0 341.473 3.514 20 0 EHADRM CC(C)CCC[C@@H](C)NC(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001591229857 992114393 /nfs/dbraw/zinc/11/43/93/992114393.db2.gz XNXVDEHKLAARRA-CQSZACIVSA-N -1 0 332.444 3.667 20 0 EHADRM CC(C)CCO[C@H](C)C(=O)Nc1ccc(OC(C)C)cc1C(=O)[O-] ZINC001591256335 992155090 /nfs/dbraw/zinc/15/50/90/992155090.db2.gz IVYFIYRNFQRKBB-CYBMUJFWSA-N -1 0 337.416 3.562 20 0 EHADRM CC(C)CCOc1ccccc1CNC(=O)c1ccc(C(=O)[O-])cc1 ZINC001591266075 992176226 /nfs/dbraw/zinc/17/62/26/992176226.db2.gz NVWLCFDJQCAVTN-UHFFFAOYSA-N -1 0 341.407 3.740 20 0 EHADRM CN(CCCc1ccccc1)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001598485236 992197399 /nfs/dbraw/zinc/19/73/99/992197399.db2.gz NGUAFJYQUNKUSP-UHFFFAOYSA-N -1 0 344.386 3.549 20 0 EHADRM CC(C)CN(C(=O)COc1ccc(C(C)C)cc1)C(C)(C)C(=O)[O-] ZINC001591280126 992206068 /nfs/dbraw/zinc/20/60/68/992206068.db2.gz BXBJAKLHRLSOLZ-UHFFFAOYSA-N -1 0 335.444 3.537 20 0 EHADRM CC(C)CN(C(=O)Cc1ccc(Cl)cc1Cl)C(C)(C)C(=O)[O-] ZINC001591280742 992210404 /nfs/dbraw/zinc/21/04/04/992210404.db2.gz OGJYALUBHZXNEP-UHFFFAOYSA-N -1 0 346.254 3.884 20 0 EHADRM CC(C)CN(CC(C)(C)C)C(=O)NCc1ccccc1CC(=O)[O-] ZINC001591314136 992280175 /nfs/dbraw/zinc/28/01/75/992280175.db2.gz MMTPCQBYDSSAFW-UHFFFAOYSA-N -1 0 334.460 3.527 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC001591323924 992298160 /nfs/dbraw/zinc/29/81/60/992298160.db2.gz ZPZVDTXEEXONQR-ZWKOTPCHSA-N -1 0 331.456 3.605 20 0 EHADRM CS[C@H](C)CCC(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC001599782709 992385806 /nfs/dbraw/zinc/38/58/06/992385806.db2.gz IUNJSNAHKLVRKY-MRVPVSSYSA-N -1 0 346.246 3.618 20 0 EHADRM CC(C)COc1ccccc1C(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC001591402236 992483179 /nfs/dbraw/zinc/48/31/79/992483179.db2.gz WDZIZDRABJJYLL-KRWDZBQOSA-N -1 0 347.455 3.732 20 0 EHADRM CN(Cc1cncc(C(=O)[O-])c1)Cc1cc(Cl)cc(Cl)c1 ZINC001598506887 992515466 /nfs/dbraw/zinc/51/54/66/992515466.db2.gz DMKJPBTUGKZAND-UHFFFAOYSA-N -1 0 325.195 3.719 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])c(F)c1)c1ccccc1Br ZINC001598510188 992560059 /nfs/dbraw/zinc/56/00/59/992560059.db2.gz NCYZBNSFPLWTAU-UHFFFAOYSA-N -1 0 338.176 3.923 20 0 EHADRM CC(C)Cc1ccc(C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)s1 ZINC001591477474 992598763 /nfs/dbraw/zinc/59/87/63/992598763.db2.gz SRTMTIDYJSJKII-HNNXBMFYSA-N -1 0 349.427 3.684 20 0 EHADRM CC(C)Cc1ccc(C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)s1 ZINC001591477476 992599214 /nfs/dbraw/zinc/59/92/14/992599214.db2.gz SRTMTIDYJSJKII-OAHLLOKOSA-N -1 0 349.427 3.684 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)N[C@@](C)(CC(=O)[O-])C2CC2)cc1 ZINC001591489819 992622609 /nfs/dbraw/zinc/62/26/09/992622609.db2.gz YQJRHVRVSLUVBX-XOBRGWDASA-N -1 0 331.456 3.748 20 0 EHADRM CN(Cc1cccc(OCC(F)(F)F)c1)c1ccccc1C(=O)[O-] ZINC001598527053 992732996 /nfs/dbraw/zinc/73/29/96/992732996.db2.gz PPRJFENUTJJJFF-UHFFFAOYSA-N -1 0 339.313 3.962 20 0 EHADRM O=C([O-])c1cccc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)c1 ZINC000535622010 1015741688 /nfs/dbraw/zinc/74/16/88/1015741688.db2.gz ZQNBKVMRFDTTJW-UKRRQHHQSA-N -1 0 349.308 3.690 20 0 EHADRM COc1ccc(N(C)C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC001599582898 993574402 /nfs/dbraw/zinc/57/44/02/993574402.db2.gz IFZMDGYPVYOJNG-UHFFFAOYSA-N -1 0 328.368 3.679 20 0 EHADRM COc1ccc(NC(=O)CCCc2ccc(C)cc2)c(C(=O)[O-])c1 ZINC001599590509 993674799 /nfs/dbraw/zinc/67/47/99/993674799.db2.gz YUHIIKWNIXEOMO-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM C[C@@H](NC(=O)NCC1(CC(=O)[O-])CCCC1)[C@@H](C)c1ccccc1 ZINC001593089401 993706061 /nfs/dbraw/zinc/70/60/61/993706061.db2.gz VOQWMAMLVRHZTI-HUUCEWRRSA-N -1 0 332.444 3.513 20 0 EHADRM COc1ccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c(C(F)(F)F)c1 ZINC001599593351 993716741 /nfs/dbraw/zinc/71/67/41/993716741.db2.gz KWGKUUNOTOQUMG-MGCOHNPYSA-N -1 0 345.317 3.544 20 0 EHADRM C[C@@H](NC(=O)NCc1cc(C(=O)[O-])co1)c1cccc2ccccc21 ZINC001593098789 993727450 /nfs/dbraw/zinc/72/74/50/993727450.db2.gz OEJSAGJGLPDNAA-GFCCVEGCSA-N -1 0 338.363 3.691 20 0 EHADRM COc1ccc(NC(=O)c2cccc(C3CCC3)c2)c(C(=O)[O-])c1 ZINC001599596064 993750582 /nfs/dbraw/zinc/75/05/82/993750582.db2.gz ZTKOLLJWSNHBOR-UHFFFAOYSA-N -1 0 325.364 3.913 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1cc2cnccc2o1 ZINC001593113210 993789454 /nfs/dbraw/zinc/78/94/54/993789454.db2.gz SOSJDDZTABFPCF-VIFPVBQESA-N -1 0 343.314 3.548 20 0 EHADRM COc1ccc(OC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1C(F)(F)F ZINC001599599348 993792164 /nfs/dbraw/zinc/79/21/64/993792164.db2.gz BOULAEWLZZNBHR-UWVGGRQHSA-N -1 0 346.301 3.510 20 0 EHADRM C[C@@H](NC(=O)Nc1cccc(F)c1Cl)c1ncc(C(=O)[O-])s1 ZINC001593118460 993829154 /nfs/dbraw/zinc/82/91/54/993829154.db2.gz MFORHYLKZCUFRX-ZCFIWIBFSA-N -1 0 343.767 3.517 20 0 EHADRM C[C@@H](NC(=O)c1ccc(Cl)cc1F)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593163787 994003592 /nfs/dbraw/zinc/00/35/92/994003592.db2.gz UHLJGQXSNWOZMB-ABAIWWIYSA-N -1 0 349.789 3.541 20 0 EHADRM COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2cccc(F)c2C(=O)[O-])cc1 ZINC001599621179 994085704 /nfs/dbraw/zinc/08/57/04/994085704.db2.gz ZSFQSXLULXPULW-JSGCOSHPSA-N -1 0 343.354 3.665 20 0 EHADRM C[C@H](NC(=O)c1csc(C(=O)[O-])n1)c1csc2ccccc21 ZINC001593189326 994111980 /nfs/dbraw/zinc/11/19/80/994111980.db2.gz PUESYEUVWFMDAR-QMMMGPOBSA-N -1 0 332.406 3.547 20 0 EHADRM C[C@@H](NC1(c2ccc(F)cc2F)CCC1)c1cncc(C(=O)[O-])c1 ZINC001593208734 994229964 /nfs/dbraw/zinc/22/99/64/994229964.db2.gz FMVLPPIVOAQKNT-LLVKDONJSA-N -1 0 332.350 3.788 20 0 EHADRM COc1ccc2cc(C(=O)Nc3cc(C(=O)[O-])ccc3C)cnc2c1 ZINC001599636246 994292743 /nfs/dbraw/zinc/29/27/43/994292743.db2.gz JZBRLNUEONDJOF-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM COc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc3ccccc3c2)c1 ZINC001599642431 994377928 /nfs/dbraw/zinc/37/79/28/994377928.db2.gz MHVWMVPLLIGWCU-IBGZPJMESA-N -1 0 349.386 3.794 20 0 EHADRM COc1cccc(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)c1C ZINC001599642844 994383219 /nfs/dbraw/zinc/38/32/19/994383219.db2.gz XORYCKIZBLVWGZ-UHFFFAOYSA-N -1 0 337.734 3.747 20 0 EHADRM COc1cccc([C@H](C)SCC(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC001599656893 994595887 /nfs/dbraw/zinc/59/58/87/994595887.db2.gz HONVTOAFHCTVCV-LBPRGKRZSA-N -1 0 345.420 3.826 20 0 EHADRM COc1cccc([C@H](C)NC(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC001599657952 994611706 /nfs/dbraw/zinc/61/17/06/994611706.db2.gz RIECCAFDZHMDOG-JTQLQIEISA-N -1 0 333.771 3.538 20 0 EHADRM COc1cccc(CC(=O)[O-])c1OC[C@@H](OC(C)C)c1ccccc1 ZINC001599666116 994732085 /nfs/dbraw/zinc/73/20/85/994732085.db2.gz VJCBOFPOTQHPCP-GOSISDBHSA-N -1 0 344.407 3.867 20 0 EHADRM C[C@](NCc1coc(-c2cccs2)n1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593311826 994788087 /nfs/dbraw/zinc/78/80/87/994788087.db2.gz JTMIDMMDTLQMOF-QGZVFWFLSA-N -1 0 346.383 3.632 20 0 EHADRM CNc1cc(Cl)ccc1C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC001598675657 994838577 /nfs/dbraw/zinc/83/85/77/994838577.db2.gz CMGPACUGEODQGV-HNNXBMFYSA-N -1 0 338.835 3.535 20 0 EHADRM COc1cccc(NCc2oc(Br)cc2C(=O)[O-])c1F ZINC001599679825 994961246 /nfs/dbraw/zinc/96/12/46/994961246.db2.gz KKMXIMVRUIAOER-UHFFFAOYSA-N -1 0 344.136 3.500 20 0 EHADRM COc1cccc(Nc2ccc(NCc3ccoc3C(=O)[O-])nc2)c1 ZINC001599680286 994968609 /nfs/dbraw/zinc/96/86/09/994968609.db2.gz JYHASZKZURYZBH-UHFFFAOYSA-N -1 0 339.351 3.737 20 0 EHADRM C[C@@H](Nc1cc(CC(=O)[O-])ccn1)c1ccc(Br)cc1 ZINC001593360664 995026437 /nfs/dbraw/zinc/02/64/37/995026437.db2.gz XDIILKAHKBPPLS-SNVBAGLBSA-N -1 0 335.201 3.644 20 0 EHADRM C[C@H](Nc1ccc(N2CCOC[C@H]2C)cc1)c1cc(C(=O)[O-])cs1 ZINC001593363480 995035898 /nfs/dbraw/zinc/03/58/98/995035898.db2.gz QXFPZCACMMZCBD-OLZOCXBDSA-N -1 0 346.452 3.845 20 0 EHADRM C[C@H](Nc1ncnc2c(F)cccc12)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593373939 995070717 /nfs/dbraw/zinc/07/07/17/995070717.db2.gz LITKXOGCNOFKNA-SWLSCSKDSA-N -1 0 339.370 3.513 20 0 EHADRM C[C@@H](Nc1nc2ccccc2n1CC1CC1)c1ncc(C(=O)[O-])s1 ZINC001593374174 995072254 /nfs/dbraw/zinc/07/22/54/995072254.db2.gz PJNQGTXLQMENHF-SNVBAGLBSA-N -1 0 342.424 3.774 20 0 EHADRM C[C@@H](OC(=O)CCCOc1cccc(F)c1)c1cc(C(=O)[O-])co1 ZINC001593526302 995567927 /nfs/dbraw/zinc/56/79/27/995567927.db2.gz VDKUWHNWCNUUSF-LLVKDONJSA-N -1 0 336.315 3.580 20 0 EHADRM C[C@@H](OC(=O)Cc1ccc(-n2cccc2)cc1)c1cc(C(=O)[O-])co1 ZINC001593534863 995592947 /nfs/dbraw/zinc/59/29/47/995592947.db2.gz JSBFKYSOEYITSF-CYBMUJFWSA-N -1 0 339.347 3.615 20 0 EHADRM C[C@H](OC(=O)CSc1ccc2c(c1)CCC2)c1cc(C(=O)[O-])co1 ZINC001593535656 995596845 /nfs/dbraw/zinc/59/68/45/995596845.db2.gz XARBEVHHOWKWIG-NSHDSACASA-N -1 0 346.404 3.863 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)c1F ZINC000180482341 1015957657 /nfs/dbraw/zinc/95/76/57/1015957657.db2.gz UJBYUFKQVPXVIP-UHFFFAOYSA-N -1 0 331.315 3.536 20 0 EHADRM C[C@H](OC(=O)Cn1ccc2ccc(Cl)cc21)c1cc(C(=O)[O-])co1 ZINC001593542156 995611982 /nfs/dbraw/zinc/61/19/82/995611982.db2.gz MWEQKLIDPIGHMR-JTQLQIEISA-N -1 0 347.754 3.890 20 0 EHADRM C[C@H](OC(=O)Cn1cc(C(=O)[O-])c2ccccc21)c1cccc(F)c1 ZINC001593542419 995614270 /nfs/dbraw/zinc/61/42/70/995614270.db2.gz QVTYZWFQFYFAOB-LBPRGKRZSA-N -1 0 341.338 3.783 20 0 EHADRM C[C@@H](OC(=O)c1cc(C2CCCCC2)[nH]n1)c1cc(C(=O)[O-])co1 ZINC001593556500 995643795 /nfs/dbraw/zinc/64/37/95/995643795.db2.gz NAXMLEUEOYDOKT-SNVBAGLBSA-N -1 0 332.356 3.667 20 0 EHADRM C[C@@H](OC(=O)c1cc(F)cc2ccncc21)c1cc(C(=O)[O-])co1 ZINC001593565350 995659294 /nfs/dbraw/zinc/65/92/94/995659294.db2.gz POMZBYQDSZMFAA-SECBINFHSA-N -1 0 329.283 3.583 20 0 EHADRM C[C@H](OC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccc(F)c(Cl)c1 ZINC001593567660 995665135 /nfs/dbraw/zinc/66/51/35/995665135.db2.gz ZBUZSCXBHVZRIG-DCAQKATOSA-N -1 0 328.767 3.974 20 0 EHADRM C[C@@H](OC(=O)c1cccc(C(F)F)c1F)c1cc(C(=O)[O-])co1 ZINC001593586520 995711088 /nfs/dbraw/zinc/71/10/88/995711088.db2.gz YKXSJYSXMPYCCF-SSDOTTSWSA-N -1 0 328.242 3.973 20 0 EHADRM C[C@@H](OC(=O)c1ccsc1C(F)(F)F)c1cc(C(=O)[O-])co1 ZINC001593597778 995740818 /nfs/dbraw/zinc/74/08/18/995740818.db2.gz OGHYEGQYMOIZBM-ZCFIWIBFSA-N -1 0 334.271 3.976 20 0 EHADRM C[C@@H](OC(=O)c1cscc1C(=O)[O-])C(=O)c1cccc(Cl)c1 ZINC001593599420 995747212 /nfs/dbraw/zinc/74/72/12/995747212.db2.gz GZASFLDVINBZHS-MRVPVSSYSA-N -1 0 338.768 3.528 20 0 EHADRM C[C@H](Oc1ccc(NC(=O)C2(C)C(C)(C)C2(C)C)cc1F)C(=O)[O-] ZINC001593624237 995885597 /nfs/dbraw/zinc/88/55/97/995885597.db2.gz ILBZLWPHSAPELW-JTQLQIEISA-N -1 0 337.391 3.688 20 0 EHADRM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-] ZINC001593634970 995929785 /nfs/dbraw/zinc/92/97/85/995929785.db2.gz IQPZMRPUABETAR-BBRMVZONSA-N -1 0 349.471 3.757 20 0 EHADRM C[C@@H](Oc1ccccc1)C(=O)O[C@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001593641375 995951534 /nfs/dbraw/zinc/95/15/34/995951534.db2.gz ICDUTIGSHSGDGT-ACJLOTCBSA-N -1 0 340.375 3.773 20 0 EHADRM C[C@H](Oc1ccccc1CNc1cccc(-c2ncco2)c1)C(=O)[O-] ZINC001593652554 996017600 /nfs/dbraw/zinc/01/76/00/996017600.db2.gz XWRIHIXLYWJIRH-ZDUSSCGKSA-N -1 0 338.363 3.806 20 0 EHADRM C[C@@H](SCc1cnc(C(=O)[O-])cn1)c1ccc(F)c(Cl)c1 ZINC001593663367 996044946 /nfs/dbraw/zinc/04/49/46/996044946.db2.gz MEVXQFVSALKPPO-MRVPVSSYSA-N -1 0 326.780 3.962 20 0 EHADRM C[C@H](Sc1nccc(C(=O)[O-])n1)c1ccc(OC(F)(F)F)cc1 ZINC001593678434 996092478 /nfs/dbraw/zinc/09/24/78/996092478.db2.gz NSIGYTGTPURBLE-QMMMGPOBSA-N -1 0 344.314 3.927 20 0 EHADRM C[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(C(=O)[O-])n1C)C1CC1 ZINC001593694440 996150074 /nfs/dbraw/zinc/15/00/74/996150074.db2.gz UNKMFVSBCCWCQU-LLVKDONJSA-N -1 0 346.814 3.743 20 0 EHADRM C[C@@H](c1ccccc1)N(C(=O)c1cc(C(=O)[O-])ccn1)c1ccccn1 ZINC001593704832 996185159 /nfs/dbraw/zinc/18/51/59/996185159.db2.gz CVQOHKLHXMKANR-AWEZNQCLSA-N -1 0 347.374 3.583 20 0 EHADRM C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001593706057 996194232 /nfs/dbraw/zinc/19/42/32/996194232.db2.gz OACZDEHTZLPDFQ-ACJLOTCBSA-N -1 0 341.382 3.932 20 0 EHADRM C[C@H](c1ccccc1Cl)N(CCC(=O)[O-])CC(=O)OC(C)(C)C ZINC001593712591 996215664 /nfs/dbraw/zinc/21/56/64/996215664.db2.gz DEHGCEHXLRJJIP-GFCCVEGCSA-N -1 0 341.835 3.519 20 0 EHADRM C[C@@H](c1nc(C(=O)[O-])co1)N1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC001593725012 996272250 /nfs/dbraw/zinc/27/22/50/996272250.db2.gz LAHQPUXEYDERAA-JQWIXIFHSA-N -1 0 336.338 3.592 20 0 EHADRM C[C@H](c1ncc(C(=O)[O-])s1)[N@@H+]1CCc2ccccc2C(C)(C)C1 ZINC001593737889 996340588 /nfs/dbraw/zinc/34/05/88/996340588.db2.gz UFMWEHRSKDPUJD-GFCCVEGCSA-N -1 0 330.453 3.738 20 0 EHADRM C[C@]1(C(=O)NCC2(CC(=O)[O-])CCCCC2)CCCc2ccccc21 ZINC001593753689 996395334 /nfs/dbraw/zinc/39/53/34/996395334.db2.gz GAYFJWVCOBEEHW-FQEVSTJZSA-N -1 0 343.467 3.822 20 0 EHADRM C[C@@]1(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)C=CCC1 ZINC001593760166 996418244 /nfs/dbraw/zinc/41/82/44/996418244.db2.gz RZVQWGBSJNANEL-LJQANCHMSA-N -1 0 328.412 3.670 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)NC(C2CCCC2)C2CCCC2)C1 ZINC001593767813 996451371 /nfs/dbraw/zinc/45/13/71/996451371.db2.gz HFJWKEVNHBJZJD-IBGZPJMESA-N -1 0 336.476 3.632 20 0 EHADRM COC(=O)CC(C)(C)C[C@@H](C)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001598834227 996467853 /nfs/dbraw/zinc/46/78/53/996467853.db2.gz RADVYTVDVHZHBQ-UONOGXRCSA-N -1 0 335.444 3.730 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)c2cccc(Nc3ccccc3)c2)C1 ZINC001593772740 996468744 /nfs/dbraw/zinc/46/87/44/996468744.db2.gz JDYOWCIFNXEUAE-FQEVSTJZSA-N -1 0 338.407 3.757 20 0 EHADRM COC(=O)C[C@H](C)S[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001598840996 996525165 /nfs/dbraw/zinc/52/51/65/996525165.db2.gz VOTLPRDKRNAVFH-JVXZTZIISA-N -1 0 337.224 3.804 20 0 EHADRM C[C@@]1(C(=O)OCc2coc(-c3ccc(C(=O)[O-])cc3)n2)CC=CCC1 ZINC001593812841 996544579 /nfs/dbraw/zinc/54/45/79/996544579.db2.gz LRHIHWZDRHHZCJ-LJQANCHMSA-N -1 0 341.363 3.829 20 0 EHADRM CC1(C)CC(C(=O)Nc2cc(C(=O)[O-])c(F)cc2Br)C1 ZINC001593848458 996620253 /nfs/dbraw/zinc/62/02/53/996620253.db2.gz RQSDCRNVFRQHBB-UHFFFAOYSA-N -1 0 344.180 3.661 20 0 EHADRM CC1(C)CCC(=CC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)CC1 ZINC001593871582 996684486 /nfs/dbraw/zinc/68/44/86/996684486.db2.gz ZJXIRFZZWPOUDD-UHFFFAOYSA-N -1 0 327.384 3.726 20 0 EHADRM Cc1nc(-c2ccco2)ccc1C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC000683309559 1016059177 /nfs/dbraw/zinc/05/91/77/1016059177.db2.gz JNJZWJXLRSCZEI-UHFFFAOYSA-N -1 0 342.395 3.510 20 0 EHADRM CC1(C)CCCC[C@@H]1CC(=O)N1CCOc2ccccc2[C@@H]1C(=O)[O-] ZINC001593905365 996786449 /nfs/dbraw/zinc/78/64/49/996786449.db2.gz SAKWXXBLKHPTHT-RDTXWAMCSA-N -1 0 345.439 3.640 20 0 EHADRM CC1(C)CCCC[C@H]1CC(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC001593905745 996789101 /nfs/dbraw/zinc/78/91/01/996789101.db2.gz ZFWLGDAORDICAX-HNNXBMFYSA-N -1 0 329.440 3.876 20 0 EHADRM CC1(C)CCN(C(=O)NCC2(CC(=O)[O-])CCCC2)CC(C)(C)C1 ZINC001593910916 996799457 /nfs/dbraw/zinc/79/94/57/996799457.db2.gz QUWLHSTZAFPSIR-UHFFFAOYSA-N -1 0 338.492 3.879 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)Cc1coc2cc(C)ccc12 ZINC001599379217 996804582 /nfs/dbraw/zinc/80/45/82/996804582.db2.gz ZQEACFFQWBDBFI-UHFFFAOYSA-N -1 0 340.331 3.596 20 0 EHADRM CC1(C)CCN(C(=O)c2ccc(/C=C/C(=O)[O-])o2)c2ccccc21 ZINC001593912006 996809140 /nfs/dbraw/zinc/80/91/40/996809140.db2.gz SWIISCCCYHRNJO-CSKARUKUSA-N -1 0 325.364 3.706 20 0 EHADRM CC1(C)CCN(Cc2ccc(OCC(=O)[O-])cc2)c2ccccc21 ZINC001593923890 996845704 /nfs/dbraw/zinc/84/57/04/996845704.db2.gz YMAYWFDJMGWWMC-UHFFFAOYSA-N -1 0 325.408 3.838 20 0 EHADRM COc1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2C)c(Cl)c1 ZINC001599486252 996855151 /nfs/dbraw/zinc/85/51/51/996855151.db2.gz CHTZWVNWOYJFPO-UHFFFAOYSA-N -1 0 337.734 3.747 20 0 EHADRM CC1(C)CN(C(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c2ccccc21 ZINC001593926648 996858141 /nfs/dbraw/zinc/85/81/41/996858141.db2.gz FSWQKWVVFJQIFQ-IIBYNOLFSA-N -1 0 335.403 3.569 20 0 EHADRM COC[C@H](NCc1cc(C(=O)[O-])ccc1F)c1cccc(Cl)c1 ZINC001599177152 996869416 /nfs/dbraw/zinc/86/94/16/996869416.db2.gz LMROGVZJWSJAGM-INIZCTEOSA-N -1 0 337.778 3.655 20 0 EHADRM CC1(C)CN(C(=O)/C=C\c2cc(C(=O)[O-])co2)c2ccccc2S1 ZINC001593928805 996879284 /nfs/dbraw/zinc/87/92/84/996879284.db2.gz UIXFNVRMWSZPEK-FPLPWBNLSA-N -1 0 343.404 3.909 20 0 EHADRM CC1(C)CN(C(=O)Nc2cc(C(=O)[O-])ccc2F)[C@H]1c1ccco1 ZINC001593934173 996895178 /nfs/dbraw/zinc/89/51/78/996895178.db2.gz ICZGRTUZNHDYDR-AWEZNQCLSA-N -1 0 332.331 3.732 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)[C@@H]1c1cccnc1 ZINC001593934508 996899882 /nfs/dbraw/zinc/89/98/82/996899882.db2.gz MOEOXZODSKBFMT-OAHLLOKOSA-N -1 0 343.358 3.534 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2ccc(C(F)(F)F)s2)c1 ZINC001599490025 996921764 /nfs/dbraw/zinc/92/17/64/996921764.db2.gz JKXDZULSNWRZFL-UHFFFAOYSA-N -1 0 345.298 3.726 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)c1 ZINC001599490293 996926031 /nfs/dbraw/zinc/92/60/31/996926031.db2.gz WAABQWGWTDLKRR-SJORKVTESA-N -1 0 339.391 3.772 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2cc(C)c(Cl)cc2C)c1 ZINC001599490334 996927771 /nfs/dbraw/zinc/92/77/71/996927771.db2.gz YDHVRGRFHPGHNN-UHFFFAOYSA-N -1 0 333.771 3.916 20 0 EHADRM COCc1cc(NC(=O)N(C)C[C@H](C)C(C)(C)C)cc(C(=O)[O-])c1 ZINC001599283220 996928584 /nfs/dbraw/zinc/92/85/84/996928584.db2.gz ACWMPRJIKYNYHT-LBPRGKRZSA-N -1 0 336.432 3.677 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)N(C)[C@@H]2CCc3ccccc32)c1 ZINC001599490511 996929551 /nfs/dbraw/zinc/92/95/51/996929551.db2.gz WRNOETYUALMJBC-QGZVFWFLSA-N -1 0 340.379 3.545 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)N(C)[C@H]2CCc3ccccc32)c1 ZINC001599490510 996929691 /nfs/dbraw/zinc/92/96/91/996929691.db2.gz WRNOETYUALMJBC-KRWDZBQOSA-N -1 0 340.379 3.545 20 0 EHADRM COCc1cc(NC(=O)C2[C@H]3CCCCCC[C@H]23)cc(C(=O)[O-])c1 ZINC001599283842 996940056 /nfs/dbraw/zinc/94/00/56/996940056.db2.gz GUHLHTHNHAMIMM-HOTGVXAUSA-N -1 0 331.412 3.686 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(C(F)F)c(F)c1 ZINC001599386282 996951097 /nfs/dbraw/zinc/95/10/97/996951097.db2.gz KRDVPBFBFMENTF-UHFFFAOYSA-N -1 0 339.269 3.722 20 0 EHADRM COCc1cc(NC(=O)N[C@@H](C)[C@H]2CCC[C@@H](C)C2)cc(C(=O)[O-])c1 ZINC001599286263 996984116 /nfs/dbraw/zinc/98/41/16/996984116.db2.gz PIHOBZGJTWEQHH-IPYPFGDCSA-N -1 0 348.443 3.868 20 0 EHADRM COCc1cc(NC(=S)N[C@H](C)c2ccccc2)cc(C(=O)[O-])c1 ZINC001599287631 997008026 /nfs/dbraw/zinc/00/80/26/997008026.db2.gz BVEKBRBWTQRUNR-GFCCVEGCSA-N -1 0 344.436 3.579 20 0 EHADRM COc1cc(C)c([C@@H](C)OC(=O)c2cc(C)c(C(=O)[O-])o2)cc1C ZINC001599391047 997037298 /nfs/dbraw/zinc/03/72/98/997037298.db2.gz VQMGMIQTPNSYDD-GFCCVEGCSA-N -1 0 332.352 3.830 20 0 EHADRM COc1cc(C)c(OC(=O)c2cc(C(=O)[O-])ccc2Cl)c(C)c1 ZINC001599392043 997055903 /nfs/dbraw/zinc/05/59/03/997055903.db2.gz MRRKUOMJANHQJR-UHFFFAOYSA-N -1 0 334.755 3.883 20 0 EHADRM COC1(C)CCN(C(=O)Nc2cccc3cc(C(=O)[O-])sc32)CC1 ZINC001599085784 997095328 /nfs/dbraw/zinc/09/53/28/997095328.db2.gz NWGGITCUUGSYPS-UHFFFAOYSA-N -1 0 348.424 3.632 20 0 EHADRM COc1cc(C)c(NC(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1C ZINC001599394303 997096347 /nfs/dbraw/zinc/09/63/47/997096347.db2.gz YBCRITYWDNJLHT-UHFFFAOYSA-N -1 0 328.368 3.963 20 0 EHADRM COCc1cccc(-c2noc(C34CCC(C(=O)[O-])(CC3)CC4)n2)c1 ZINC001599295174 997127668 /nfs/dbraw/zinc/12/76/68/997127668.db2.gz IAETUUOQXIWMHH-UHFFFAOYSA-N -1 0 342.395 3.560 20 0 EHADRM COCc1cnc(CNc2cccc3cc(C(=O)[O-])sc32)s1 ZINC001599296750 997157166 /nfs/dbraw/zinc/15/71/66/997157166.db2.gz DBXISCDGEYNEAV-UHFFFAOYSA-N -1 0 334.422 3.815 20 0 EHADRM COCc1cccc(CNc2ncc(C(=O)[O-])cc2C(F)(F)F)c1 ZINC001599298250 997185650 /nfs/dbraw/zinc/18/56/50/997185650.db2.gz PHUYGNNDDOMTDH-UHFFFAOYSA-N -1 0 340.301 3.557 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1Oc1ncnc2c(F)cccc12 ZINC001599401135 997217216 /nfs/dbraw/zinc/21/72/16/997217216.db2.gz YKQXYZVZSMFPRG-VURMDHGXSA-N -1 0 340.310 3.668 20 0 EHADRM CC1(CC(F)(F)F)CN(c2cc(C(F)(F)F)c(C(=O)[O-])cn2)C1 ZINC001594000049 997356082 /nfs/dbraw/zinc/35/60/82/997356082.db2.gz XUQPJMYZQQLHEW-UHFFFAOYSA-N -1 0 342.239 3.577 20 0 EHADRM COC1CCC(CC(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)CC1 ZINC001599100348 997371846 /nfs/dbraw/zinc/37/18/46/997371846.db2.gz TYUVKMRLWYFHIV-UHFFFAOYSA-N -1 0 343.782 3.711 20 0 EHADRM O=C([O-])CCCCC(=O)Nc1ccccc1COCc1ccccc1 ZINC000655549149 1016113290 /nfs/dbraw/zinc/11/32/90/1016113290.db2.gz IXISEOZSERNDQY-UHFFFAOYSA-N -1 0 341.407 3.987 20 0 EHADRM CO[C@@H]1CCC[C@H]([C@H](NC(=O)C[C@@H](C)CCC=C(C)C)C(=O)[O-])C1 ZINC001599105835 997475590 /nfs/dbraw/zinc/47/55/90/997475590.db2.gz IHDVGDPWJMIXHE-CUSZFKRNSA-N -1 0 339.476 3.534 20 0 EHADRM COc1ccc([C@H](NC(=O)/C(C)=C\C(C)(C)C)C(=O)[O-])cc1Cl ZINC001599521343 997486419 /nfs/dbraw/zinc/48/64/19/997486419.db2.gz SIMBDFJIVYFGOW-CMUBDUJZSA-N -1 0 339.819 3.583 20 0 EHADRM CON(Cc1ccc(Cl)cc1)C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001599318936 997547344 /nfs/dbraw/zinc/54/73/44/997547344.db2.gz NOWIQDBCVUOMKI-UHFFFAOYSA-N -1 0 333.771 3.550 20 0 EHADRM CO[C@@H]1CCC[C@H](CC(=O)O[C@@H]2CCCc3cc(C(=O)[O-])ccc32)C1 ZINC001599111861 997583762 /nfs/dbraw/zinc/58/37/62/997583762.db2.gz GTNQPPQYNBTDIF-FDQGKXFDSA-N -1 0 346.423 3.901 20 0 EHADRM COc1cc(Cl)ccc1C(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1 ZINC001599420648 997589501 /nfs/dbraw/zinc/58/95/01/997589501.db2.gz NAPIONVBGRWDKV-HNNXBMFYSA-N -1 0 347.798 3.603 20 0 EHADRM COc1cc(Cl)ccc1NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001599420746 997590096 /nfs/dbraw/zinc/59/00/96/997590096.db2.gz HPHCIZMMCWHUFZ-UHFFFAOYSA-N -1 0 348.786 3.711 20 0 EHADRM CO[C@@H]1CCCN(C(=O)Nc2cccc3cc(C(=O)[O-])sc32)CC1 ZINC001599114193 997623396 /nfs/dbraw/zinc/62/33/96/997623396.db2.gz CTWCPKVODDMCEN-GFCCVEGCSA-N -1 0 348.424 3.632 20 0 EHADRM COc1ccc([C@@H](NCc2cc3ccccc3s2)C(=O)[O-])cc1O ZINC001599531249 997657642 /nfs/dbraw/zinc/65/76/42/997657642.db2.gz IQIZQRFOMHGFPL-QGZVFWFLSA-N -1 0 343.404 3.531 20 0 EHADRM C[C@]1(Cc2ccc(F)c(Cl)c2)CCCN1c1nccc(C(=O)[O-])n1 ZINC001594041658 997666441 /nfs/dbraw/zinc/66/64/41/997666441.db2.gz QGCDYXPSNVWIOH-QGZVFWFLSA-N -1 0 349.793 3.569 20 0 EHADRM C[C@@]1(Cc2ccccc2)CCCN1C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001594041677 997666507 /nfs/dbraw/zinc/66/65/07/997666507.db2.gz QRRUHIGHGFXVDS-NRFANRHFSA-N -1 0 337.419 3.551 20 0 EHADRM COc1cc(F)cc(NC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c1 ZINC001599425670 997670294 /nfs/dbraw/zinc/67/02/94/997670294.db2.gz IKUQCXZPXBVQIZ-JKSUJKDBSA-N -1 0 344.342 3.666 20 0 EHADRM COc1ccc(C)cc1NC(=O)[C@H](C)Sc1ccc(C(=O)[O-])cc1 ZINC001599535560 997738542 /nfs/dbraw/zinc/73/85/42/997738542.db2.gz ZHCRBBVEAHQIQD-LBPRGKRZSA-N -1 0 345.420 3.821 20 0 EHADRM COc1c(C)cc(Cl)cc1NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001599331339 997754291 /nfs/dbraw/zinc/75/42/91/997754291.db2.gz LJXZSLJYGWJDEP-XQRVVYSFSA-N -1 0 335.743 3.600 20 0 EHADRM CC1(NC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CCC(F)(F)CC1 ZINC001594052701 997760407 /nfs/dbraw/zinc/76/04/07/997760407.db2.gz KWHBCTNIIBEHIX-UHFFFAOYSA-N -1 0 348.296 3.753 20 0 EHADRM COc1c(C)cc(Cl)cc1NC(=O)c1ccc(C(=O)[O-])s1 ZINC001599331952 997763618 /nfs/dbraw/zinc/76/36/18/997763618.db2.gz ZUZBFNFGRYJOKI-UHFFFAOYSA-N -1 0 325.773 3.669 20 0 EHADRM COc1c(C)ccc(NC(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)c1C ZINC001599333177 997784259 /nfs/dbraw/zinc/78/42/59/997784259.db2.gz XZKOAFYYIGCVHE-MGPUTAFESA-N -1 0 339.391 3.509 20 0 EHADRM C[C@@]1(NC(=O)c2nc3ccccc3cc2Cl)CCCC[C@@H]1C(=O)[O-] ZINC001594056303 997795923 /nfs/dbraw/zinc/79/59/23/997795923.db2.gz ONLCRRTXVHUQRY-KZULUSFZSA-N -1 0 346.814 3.652 20 0 EHADRM COc1cc(NC(=O)[C@H](C)CCCc2ccccc2)ccc1C(=O)[O-] ZINC001599433800 997806064 /nfs/dbraw/zinc/80/60/64/997806064.db2.gz ZBYQBSLHGQTRPT-CQSZACIVSA-N -1 0 341.407 3.991 20 0 EHADRM COc1ccc([C@@H]2CCCN2[C@H](C)c2ncc(C(=O)[O-])s2)cc1 ZINC001599539653 997812934 /nfs/dbraw/zinc/81/29/34/997812934.db2.gz NTCRKJLIOCXVHF-RISCZKNCSA-N -1 0 332.425 3.748 20 0 EHADRM CC1(NC(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CC(F)(F)C1 ZINC001594057846 997814490 /nfs/dbraw/zinc/81/44/90/997814490.db2.gz QVKVEFKXNHJMPY-UHFFFAOYSA-N -1 0 334.322 3.847 20 0 EHADRM COc1cc(NC(=O)Cc2ccc(C(C)(C)C)cc2)ccc1C(=O)[O-] ZINC001599435017 997828622 /nfs/dbraw/zinc/82/86/22/997828622.db2.gz OBXKIMGIKDFCJN-UHFFFAOYSA-N -1 0 341.407 3.872 20 0 EHADRM COc1cc(NC(=O)N2CC[C@H]2c2ccc(F)cc2)ccc1C(=O)[O-] ZINC001599435720 997841624 /nfs/dbraw/zinc/84/16/24/997841624.db2.gz PEUQOHGLQIOKGK-HNNXBMFYSA-N -1 0 344.342 3.511 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1ccc(C)cc1C ZINC001599541785 997855956 /nfs/dbraw/zinc/85/59/56/997855956.db2.gz FPEXHUKJDQQMEZ-RMKNXTFCSA-N -1 0 326.348 3.629 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)c1ccc(C)cc1Cl ZINC001599542187 997862088 /nfs/dbraw/zinc/86/20/88/997862088.db2.gz HEVSXEJYKYOZNI-YVMONPNESA-N -1 0 346.766 3.974 20 0 EHADRM COCCN(C(=O)c1cc(C)cc(C(=O)[O-])c1)[C@H](C)c1ccccc1 ZINC001599232307 997883590 /nfs/dbraw/zinc/88/35/90/997883590.db2.gz JIGAESDKDGETFJ-OAHLLOKOSA-N -1 0 341.407 3.543 20 0 EHADRM CC1(OCC(=O)Nc2cc(Cl)c(Cl)cc2C(=O)[O-])CCC1 ZINC001594069367 997898463 /nfs/dbraw/zinc/89/84/63/997898463.db2.gz AOYPFSASDHIMKF-UHFFFAOYSA-N -1 0 332.183 3.589 20 0 EHADRM COc1c(NC(=O)N2CCC[C@@H](C3CCC3)CC2)cccc1C(=O)[O-] ZINC001599339841 997903590 /nfs/dbraw/zinc/90/35/90/997903590.db2.gz LYMDBLFRLYJUKR-CQSZACIVSA-N -1 0 346.427 3.828 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC[C@@H]1CCC2(CCC2)CO1 ZINC001599545419 997914496 /nfs/dbraw/zinc/91/44/96/997914496.db2.gz FAWKQVLUCNVUCN-VOKGJARPSA-N -1 0 332.396 3.521 20 0 EHADRM COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)c1cscc1Cl ZINC001599545716 997918857 /nfs/dbraw/zinc/91/88/57/997918857.db2.gz PVUHDGQSOZVFMF-HYXAFXHYSA-N -1 0 338.768 3.727 20 0 EHADRM COc1cc(NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])ccc1F ZINC001599442609 997954319 /nfs/dbraw/zinc/95/43/19/997954319.db2.gz ILYNAEHUXBMZAN-JTQLQIEISA-N -1 0 349.383 3.652 20 0 EHADRM COc1c(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)ncnc1C(=O)[O-] ZINC001599343075 997954486 /nfs/dbraw/zinc/95/44/86/997954486.db2.gz JPMVEDDGAWPXBK-ZWKOPEQDSA-N -1 0 347.802 3.646 20 0 EHADRM COc1c(Oc2ccc3oc4ccccc4c3c2)ncnc1C(=O)[O-] ZINC001599344153 997972295 /nfs/dbraw/zinc/97/22/95/997972295.db2.gz DXAFSUKJHLGGSV-UHFFFAOYSA-N -1 0 336.303 3.875 20 0 EHADRM C[C@]1(c2ccccc2)CCCN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC001594079766 997974642 /nfs/dbraw/zinc/97/46/42/997974642.db2.gz RKNLVVOJVPLGDU-WWMYMODYSA-N -1 0 343.467 3.848 20 0 EHADRM COc1ccc(C[C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC001599550194 997992262 /nfs/dbraw/zinc/99/22/62/997992262.db2.gz JZCZKNYUMBJLSX-NSHDSACASA-N -1 0 347.798 3.864 20 0 EHADRM COc1cc(OC(=O)c2cc3c(s2)CCCCC3)ccc1C(=O)[O-] ZINC001599446888 998022631 /nfs/dbraw/zinc/02/26/31/998022631.db2.gz AHOQULCCOBCRAK-UHFFFAOYSA-N -1 0 346.404 3.943 20 0 EHADRM COc1cc(OC)cc([C@H](N[C@@H](C)c2ccc(C)s2)C(=O)[O-])c1 ZINC001599451828 998115969 /nfs/dbraw/zinc/11/59/69/998115969.db2.gz BEAUVUBTBQFTGH-ZBEGNZNMSA-N -1 0 335.425 3.550 20 0 EHADRM CC1=C(C)C[C@@](C)(C(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)CC1 ZINC001594109569 998194745 /nfs/dbraw/zinc/19/47/45/998194745.db2.gz KOOOQLKDUFDYHU-PXNSSMCTSA-N -1 0 329.440 3.715 20 0 EHADRM COc1cc(OCc2nc3cc(Cl)ccc3n2C)ccc1C(=O)[O-] ZINC001599456899 998203589 /nfs/dbraw/zinc/20/35/89/998203589.db2.gz MSKRSQMIUNIVEI-UHFFFAOYSA-N -1 0 346.770 3.513 20 0 EHADRM COCCOc1cccc(N[C@H](C(=O)[O-])c2ccc(Cl)cc2)c1 ZINC001599260770 998381964 /nfs/dbraw/zinc/38/19/64/998381964.db2.gz IGUVPUIEIRIRGI-INIZCTEOSA-N -1 0 335.787 3.603 20 0 EHADRM COC[C@H](C)[C@@H](C)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC001599157734 998402245 /nfs/dbraw/zinc/40/22/45/998402245.db2.gz JOMMYKSEJLITHA-VHSXEESVSA-N -1 0 327.446 3.601 20 0 EHADRM COC[C@H](C)[C@@H](C)C(=O)O[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001599157731 998402476 /nfs/dbraw/zinc/40/24/76/998402476.db2.gz JHHJBORVRWXFSR-RWEMILLDSA-N -1 0 349.210 3.581 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)C[C@]12CCCC[C@H]1C2(F)F ZINC001599378821 998534137 /nfs/dbraw/zinc/53/41/37/998534137.db2.gz QBGOOIGPHHCVHB-CZUORRHYSA-N -1 0 340.322 3.514 20 0 EHADRM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000191355629 1032144104 /nfs/dbraw/zinc/14/41/04/1032144104.db2.gz FOOJIFXMXSRRNR-UHFFFAOYSA-N -1 0 334.353 3.532 20 0 EHADRM COC(=O)c1cccc(CNc2cccc3cc(C(=O)[O-])sc32)c1 ZINC001598993832 998760795 /nfs/dbraw/zinc/76/07/95/998760795.db2.gz JOCOPGHSRWIFAP-UHFFFAOYSA-N -1 0 341.388 3.998 20 0 EHADRM C[C@@H]1CC(=O)N(C)c2ccc(Nc3ncc(C(=O)[O-])cc3Cl)cc21 ZINC001594198955 998770308 /nfs/dbraw/zinc/77/03/08/998770308.db2.gz SUXXRWKRLDSLMG-SECBINFHSA-N -1 0 345.786 3.647 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1C(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC001594205414 998788532 /nfs/dbraw/zinc/78/85/32/998788532.db2.gz CSJPVFDSJRZVEN-DOFRTFSJSA-N -1 0 347.308 3.558 20 0 EHADRM C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001594214577 998826828 /nfs/dbraw/zinc/82/68/28/998826828.db2.gz LOCILKZWHZPKGG-PSASIEDQSA-N -1 0 348.296 3.719 20 0 EHADRM C[C@@H]1CC(C)(C)N(C(=O)c2ccc(C(=O)[O-])n2C)c2ccccc21 ZINC001594217479 998837995 /nfs/dbraw/zinc/83/79/95/998837995.db2.gz STQPVRBQPKPOKL-GFCCVEGCSA-N -1 0 326.396 3.656 20 0 EHADRM C[C@H]1CC(CNC(=O)Nc2ccc(CCC(=O)[O-])cc2)C[C@H](C)C1 ZINC001594223164 998860250 /nfs/dbraw/zinc/86/02/50/998860250.db2.gz OSLBVEJIYINBQX-ZIAGYGMSSA-N -1 0 332.444 3.898 20 0 EHADRM C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@](C)(C(=O)[O-])C2)CC(C)(C)C1 ZINC001594232485 998885794 /nfs/dbraw/zinc/88/57/94/998885794.db2.gz KXRDFSHUZLIOTO-VCBZYWHSSA-N -1 0 338.492 3.735 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NC(=O)NCCCCCC(=O)[O-])C1 ZINC001594255047 998982737 /nfs/dbraw/zinc/98/27/37/998982737.db2.gz ISTAJDJWMXZYCV-JQHSSLGASA-N -1 0 346.471 3.903 20 0 EHADRM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1ncc(C(=O)[O-])cc1Cl ZINC001594266467 999033739 /nfs/dbraw/zinc/03/37/39/999033739.db2.gz PBQGGGPRLODVES-GXFFZTMASA-N -1 0 334.778 3.955 20 0 EHADRM C[C@@H]1C[C@@H]1c1cc(NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)n[nH]1 ZINC001594278231 999077121 /nfs/dbraw/zinc/07/71/21/999077121.db2.gz WIBYPWCPTMOBNO-HQJQHLMTSA-N -1 0 334.763 3.529 20 0 EHADRM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)N[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC001594283505 999098200 /nfs/dbraw/zinc/09/82/00/999098200.db2.gz GKPURQWDLBMRBR-OARQBCSESA-N -1 0 337.419 3.764 20 0 EHADRM C[C@H]1CC=C(C(=O)NC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)CC1 ZINC001594290373 999117641 /nfs/dbraw/zinc/11/76/41/999117641.db2.gz HJHIPMUPJKYHBX-GUYCJALGSA-N -1 0 327.424 3.667 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2ccc(C(=O)[O-])n2C)C[C@@H]1C ZINC001594291250 999122014 /nfs/dbraw/zinc/12/20/14/999122014.db2.gz FMRUTINKRXFVNL-AESZEHBQSA-N -1 0 346.471 3.849 20 0 EHADRM CO[C@H](C)c1nc(CN[C@H](c2ccccc2)C(C)(C)C(=O)[O-])cs1 ZINC001599043504 999134532 /nfs/dbraw/zinc/13/45/32/999134532.db2.gz VQJJVKBJLMRIPU-IUODEOHRSA-N -1 0 348.468 3.792 20 0 EHADRM CC1CCC(C)(CNC(=O)N2CCc3cccc(C(=O)[O-])c3C2)CC1 ZINC001594295956 999139687 /nfs/dbraw/zinc/13/96/87/999139687.db2.gz LFYFAFXXJWWHMH-UHFFFAOYSA-N -1 0 344.455 3.669 20 0 EHADRM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001594297686 999148540 /nfs/dbraw/zinc/14/85/40/999148540.db2.gz ASLLQZWROXSSBE-VXGBXAGGSA-N -1 0 335.366 3.601 20 0 EHADRM C[C@@H]1CC[C@@H](C)N(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)C1 ZINC001594299972 999158598 /nfs/dbraw/zinc/15/85/98/999158598.db2.gz LMPIMVRLQZUPBU-RKDXNWHRSA-N -1 0 328.771 3.830 20 0 EHADRM C[C@H]1CC[C@H](C(=O)N[C@@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)CC1 ZINC001594312714 999201295 /nfs/dbraw/zinc/20/12/95/999201295.db2.gz DXPDETUKCNKZOP-RTEYEHBSSA-N -1 0 329.440 3.806 20 0 EHADRM CO[C@@H](CNc1ccc(C[C@@H](C)C(=O)[O-])cc1)Cc1ccccc1 ZINC001599056383 999233068 /nfs/dbraw/zinc/23/30/68/999233068.db2.gz VMIOYVJIGVMDSV-DNVCBOLYSA-N -1 0 327.424 3.619 20 0 EHADRM C[C@H]1CCC[C@H](CC(=O)Nc2cccnc2SCCC(=O)[O-])C1 ZINC001594345569 999308070 /nfs/dbraw/zinc/30/80/70/999308070.db2.gz WBXJLGBXVNCFMI-STQMWFEESA-N -1 0 336.457 3.803 20 0 EHADRM C[C@@H]1CCC[C@@H](CNC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)[C@H]1C ZINC001594347048 999315082 /nfs/dbraw/zinc/31/50/82/999315082.db2.gz VAQNPFGPYZNCTN-KEYYUXOJSA-N -1 0 344.455 3.525 20 0 EHADRM C[C@@H]1CCC[C@H](OCCCCCC(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])C1 ZINC001594354221 999338162 /nfs/dbraw/zinc/33/81/62/999338162.db2.gz AODPSOWMBNMGPX-YYIAUSFCSA-N -1 0 339.476 3.512 20 0 EHADRM C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)[C@H]3C[C@@H](C(=O)[O-])C3)c2)C1 ZINC001594356042 999343243 /nfs/dbraw/zinc/34/32/43/999343243.db2.gz PYQJAYHMBIDRBM-NYCLONFESA-N -1 0 345.439 3.831 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)Nc1cccc(CO[C@@H]2CCC[C@@H](C)C2)c1 ZINC001594356104 999344037 /nfs/dbraw/zinc/34/40/37/999344037.db2.gz QXEHBBXEOXOEJS-JKIFEVAISA-N -1 0 348.443 3.767 20 0 EHADRM C[C@@H]1CCCC[C@H]1C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC001594363924 999374519 /nfs/dbraw/zinc/37/45/19/999374519.db2.gz OQSLBBIIMACVNP-MWLCHTKSSA-N -1 0 333.413 3.601 20 0 EHADRM C[C@H]1CCCC[C@@H]1NC(=S)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC001594370491 999396314 /nfs/dbraw/zinc/39/63/14/999396314.db2.gz HYWYHQJBYLUGMG-ONGXEEELSA-N -1 0 338.498 3.800 20 0 EHADRM C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001594388155 999468936 /nfs/dbraw/zinc/46/89/36/999468936.db2.gz INNUAGTZHSSLFM-LIVBEALHSA-N -1 0 344.455 3.596 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc(Cl)cc2SCCC(=O)[O-])C1 ZINC001594406524 999522527 /nfs/dbraw/zinc/52/25/27/999522527.db2.gz ZGWWZECEAFLXAM-SNVBAGLBSA-N -1 0 342.848 3.781 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)[C@@H](C(=O)[O-])C1 ZINC001594410052 999530198 /nfs/dbraw/zinc/53/01/98/999530198.db2.gz JVRBRTYMJNRCCL-BXUZGUMPSA-N -1 0 347.411 3.880 20 0 EHADRM C[C@@H]1CCc2c(sc3ncnc(N[C@@H]4CCC[C@H]4CC(=O)[O-])c32)C1 ZINC001594445659 999638302 /nfs/dbraw/zinc/63/83/02/999638302.db2.gz OOPJWTMDMZRMEX-NTZNESFSSA-N -1 0 345.468 3.871 20 0 EHADRM C[C@H]1CCc2ccccc2[C@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001594446013 999638948 /nfs/dbraw/zinc/63/89/48/999638948.db2.gz TVGNMABTGRPTGG-GTNSWQLSSA-N -1 0 342.370 3.969 20 0 EHADRM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001594448709 999645219 /nfs/dbraw/zinc/64/52/19/999645219.db2.gz VZPWWSOPIHHBRQ-ADLMAVQZSA-N -1 0 349.390 3.566 20 0 EHADRM C[C@@H]1CN(C(=O)C2(C(=O)[O-])CC3(CCC3)C2)CC[C@@H]1c1ccccc1 ZINC001594462584 999675288 /nfs/dbraw/zinc/67/52/88/999675288.db2.gz LYTKLUQQNLELIO-WBVHZDCISA-N -1 0 341.451 3.674 20 0 EHADRM CC(C)[C@H](CNC(=O)[C@@H](C)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000655573401 1016358882 /nfs/dbraw/zinc/35/88/82/1016358882.db2.gz REXZPEPUUPIOIU-UWVGGRQHSA-N -1 0 332.227 3.570 20 0 EHADRM CCc1ccc2occ(C(=O)N[C@@H](C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)c2c1 ZINC000655574834 1016378172 /nfs/dbraw/zinc/37/81/72/1016378172.db2.gz FACMBFHPWOFQIX-KNXALSJPSA-N -1 0 343.423 3.860 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655577212 1016400579 /nfs/dbraw/zinc/40/05/79/1016400579.db2.gz YDXMUWJKOGVUSP-MXSMSXNCSA-N -1 0 345.483 3.815 20 0 EHADRM COC[C@H](C)N(C)C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000178088451 1016518511 /nfs/dbraw/zinc/51/85/11/1016518511.db2.gz CTDUABYARGUPTA-LBPRGKRZSA-N -1 0 333.815 3.820 20 0 EHADRM Cc1cc(N)c(Nc2cc(F)cc(C(=O)[O-])c2)c(Br)c1 ZINC001209889840 1016640614 /nfs/dbraw/zinc/64/06/14/1016640614.db2.gz UKCSYPJWDMNBNZ-UHFFFAOYSA-N -1 0 339.164 3.921 20 0 EHADRM CC1(C)Cc2c(Nc3cc(F)cc(C(=O)[O-])c3)cccc2NC1=O ZINC001209894137 1016647698 /nfs/dbraw/zinc/64/76/98/1016647698.db2.gz UPSSESDBZKXMFX-UHFFFAOYSA-N -1 0 328.343 3.788 20 0 EHADRM C[C@H](NC(=O)NCC1(C(=O)[O-])CCC1)c1cccc(Cl)c1Cl ZINC000659398173 1016656805 /nfs/dbraw/zinc/65/68/05/1016656805.db2.gz RVGPSNLEDZNGQZ-VIFPVBQESA-N -1 0 345.226 3.609 20 0 EHADRM Cc1ccc(-c2[nH]nc(NC(=O)c3ccc([O-])c(Cl)c3)c2C)o1 ZINC000178555534 1016717201 /nfs/dbraw/zinc/71/72/01/1016717201.db2.gz YWVIBWLYWKHEKW-UHFFFAOYSA-N -1 0 331.759 3.898 20 0 EHADRM CCc1nc(NC(=O)c2ccc(Br)c([O-])c2)sc1C ZINC000179146345 1016857874 /nfs/dbraw/zinc/85/78/74/1016857874.db2.gz ZXLVEYGHLMLJAG-UHFFFAOYSA-N -1 0 341.230 3.734 20 0 EHADRM O=C(Nc1cc(Cl)cc(Br)c1[O-])c1cncc(F)c1 ZINC000340333715 1016967380 /nfs/dbraw/zinc/96/73/80/1016967380.db2.gz FYNAHTJPBMDHFW-UHFFFAOYSA-N -1 0 345.555 3.595 20 0 EHADRM Cc1cc(Nc2cnc(Br)c(Cl)n2)ccc1C(=O)[O-] ZINC001211648202 1016978161 /nfs/dbraw/zinc/97/81/61/1016978161.db2.gz VQUXVMIFOYRZRJ-UHFFFAOYSA-N -1 0 342.580 3.643 20 0 EHADRM CCCCOc1ccccc1NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000659751487 1016979620 /nfs/dbraw/zinc/97/96/20/1016979620.db2.gz LFQWBAZXRXYSOF-UHFFFAOYSA-N -1 0 343.379 3.581 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2C(=O)NCCCCCC(=O)[O-])cc1 ZINC000414618713 1017065933 /nfs/dbraw/zinc/06/59/33/1017065933.db2.gz ZILYEADVQDBEOL-KRWDZBQOSA-N -1 0 332.444 3.877 20 0 EHADRM Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000183347199 1032165802 /nfs/dbraw/zinc/16/58/02/1032165802.db2.gz YFRWLEMVEASOJG-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM Cc1cc(S(=O)(=O)Nc2cccc(C)c2Cl)sc1C(=O)[O-] ZINC000080716371 1032173701 /nfs/dbraw/zinc/17/37/01/1032173701.db2.gz BMARORDJLCGCPQ-UHFFFAOYSA-N -1 0 345.829 3.517 20 0 EHADRM Oc1ccc(Cc2nc(-c3ccc4c(c3)CCO4)no2)cc1Cl ZINC000904688810 1032181937 /nfs/dbraw/zinc/18/19/37/1032181937.db2.gz AVMIZFWWIODUED-UHFFFAOYSA-N -1 0 328.755 3.621 20 0 EHADRM COc1ccc([C@@H]2CCN(C(=O)c3ccc([O-])c(Cl)c3)C2)cc1F ZINC000629722326 1032197411 /nfs/dbraw/zinc/19/74/11/1032197411.db2.gz XJBIFJHUSWSLEK-CYBMUJFWSA-N -1 0 349.789 3.823 20 0 EHADRM Cc1nc(C)c([N-]S(=O)(=O)c2ccccc2C(F)(F)F)s1 ZINC000080972339 1032234765 /nfs/dbraw/zinc/23/47/65/1032234765.db2.gz PLOHTNCYOJSCGZ-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM C[C@H](CCOc1ccc(-c2n[n-]c(=N)o2)cc1)OCc1ccccc1 ZINC000461077588 1032252092 /nfs/dbraw/zinc/25/20/92/1032252092.db2.gz XFYJUZXOIOCOGQ-CQSZACIVSA-N -1 0 339.395 3.523 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)c2cccc(C)c2Cl)n1 ZINC000538361556 1032312234 /nfs/dbraw/zinc/31/22/34/1032312234.db2.gz LEASRHHNPTXVFQ-UHFFFAOYSA-N -1 0 330.862 3.858 20 0 EHADRM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cc3c(cn2)CCCC3)cc1 ZINC000461185424 1032316032 /nfs/dbraw/zinc/31/60/32/1032316032.db2.gz KJYXSNKMCWWCKV-UHFFFAOYSA-N -1 0 346.452 3.548 20 0 EHADRM CCOCCCCCC(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC000905044700 1032323658 /nfs/dbraw/zinc/32/36/58/1032323658.db2.gz XOMPVKQDBUQHNS-UHFFFAOYSA-N -1 0 325.430 3.642 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)Nc1cccc(C2CCOCC2)c1)C(=O)[O-] ZINC000905052986 1032327092 /nfs/dbraw/zinc/32/70/92/1032327092.db2.gz ATAGGOFBYYRMJG-CXAGYDPISA-N -1 0 348.443 3.592 20 0 EHADRM CC[C@@H](C)n1ncc2c1nc(/C=C\c1oc(C)nc1C)cc2C(=O)[O-] ZINC000905080003 1032332285 /nfs/dbraw/zinc/33/22/85/1032332285.db2.gz FTRAIRXVHKFINV-JYESYGNLSA-N -1 0 340.383 3.876 20 0 EHADRM CC(C)(C)OCc1ccccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000905130830 1032357771 /nfs/dbraw/zinc/35/77/71/1032357771.db2.gz JTMDBAIYTQCHFN-GJZGRUSLSA-N -1 0 331.412 3.607 20 0 EHADRM CSCc1ccccc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000185066490 1032361955 /nfs/dbraw/zinc/36/19/55/1032361955.db2.gz BTDBIRIXLLKBRI-UHFFFAOYSA-N -1 0 327.327 3.925 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1nc(CC(C)(C)C)cs1 ZINC000538453063 1032380831 /nfs/dbraw/zinc/38/08/31/1032380831.db2.gz SRJZBJZIVRUKAT-UHFFFAOYSA-N -1 0 330.500 3.902 20 0 EHADRM Cc1ccc2c(CC(=O)N[C@@H](CC(=O)[O-])C3CCCCC3)coc2c1 ZINC000538504061 1032402509 /nfs/dbraw/zinc/40/25/09/1032402509.db2.gz AFGOQXIKMINJQG-KRWDZBQOSA-N -1 0 343.423 3.824 20 0 EHADRM O=C([O-])CC1CCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000263050963 1032422401 /nfs/dbraw/zinc/42/24/01/1032422401.db2.gz FLQRVNHLKGBWOO-UHFFFAOYSA-N -1 0 349.736 3.686 20 0 EHADRM COc1cc(NC(=O)C[C@@H]2CCCc3ccccc32)ccc1C(=O)[O-] ZINC000263060991 1032427179 /nfs/dbraw/zinc/42/71/79/1032427179.db2.gz XGBIEARZGOBRSL-AWEZNQCLSA-N -1 0 339.391 3.842 20 0 EHADRM CC(C)[C@@H](NC(=O)NCCCCCC(=O)[O-])c1ccc(F)cc1F ZINC000414632722 1017093446 /nfs/dbraw/zinc/09/34/46/1017093446.db2.gz SUQUYPHNOWUFHC-MRXNPFEDSA-N -1 0 342.386 3.606 20 0 EHADRM COc1ccc(C)cc1[N-]S(=O)(=O)c1cccc(C)c1Cl ZINC000537206691 1032560951 /nfs/dbraw/zinc/56/09/51/1032560951.db2.gz OQMGDYKTGRAVQR-UHFFFAOYSA-N -1 0 325.817 3.766 20 0 EHADRM CC(C)c1cc(Cl)ccc1NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-] ZINC000601995066 1032587598 /nfs/dbraw/zinc/58/75/98/1032587598.db2.gz QXAXDEHNECSGGL-NXEZZACHSA-N -1 0 329.849 3.997 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000602002220 1032589582 /nfs/dbraw/zinc/58/95/82/1032589582.db2.gz OWMCYFQKYXLDRL-UHIISALHSA-N -1 0 341.860 3.598 20 0 EHADRM CCc1nn(C)cc1[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000091021668 1032618212 /nfs/dbraw/zinc/61/82/12/1032618212.db2.gz HGPZIILOWBTITR-UHFFFAOYSA-N -1 0 347.484 3.831 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)sc1C ZINC000091018624 1032618964 /nfs/dbraw/zinc/61/89/64/1032618964.db2.gz YBXCXSILIPQNDJ-UHFFFAOYSA-N -1 0 335.450 3.685 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)sc1C ZINC000091051716 1032627382 /nfs/dbraw/zinc/62/73/82/1032627382.db2.gz HHIUXEIOTXUCMJ-UHFFFAOYSA-N -1 0 334.422 3.821 20 0 EHADRM Cc1cc(C)cc([C@@H](C)NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000592983454 1032654380 /nfs/dbraw/zinc/65/43/80/1032654380.db2.gz YAEAVZLOWHETIU-CRAIPNDOSA-N -1 0 325.408 3.739 20 0 EHADRM C[C@H](C(=O)N(CC(=O)[O-])C1CCC1)c1c(Cl)cccc1Cl ZINC000655596239 1017128782 /nfs/dbraw/zinc/12/87/82/1017128782.db2.gz BEZGEBVXVIDDTP-VIFPVBQESA-N -1 0 330.211 3.563 20 0 EHADRM Cc1c(F)cc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)cc1F ZINC001210110161 1017134193 /nfs/dbraw/zinc/13/41/93/1017134193.db2.gz PFPKCBXEJZWHOB-UHFFFAOYSA-N -1 0 333.743 3.917 20 0 EHADRM O=C(Nc1ccccc1OCC(F)(F)F)c1cc(F)c([O-])c(F)c1 ZINC000183341031 1017293874 /nfs/dbraw/zinc/29/38/74/1017293874.db2.gz DPORQEQNWHCSOT-UHFFFAOYSA-N -1 0 347.239 3.864 20 0 EHADRM O=C(NCCCc1c[nH]c2ccccc12)c1cc(F)c([O-])c(F)c1 ZINC000183586051 1017359140 /nfs/dbraw/zinc/35/91/40/1017359140.db2.gz ONQUUKNMNKBVFV-UHFFFAOYSA-N -1 0 330.334 3.514 20 0 EHADRM Cc1ccc(NC(=O)C2CCC(C(=O)[O-])CC2)cc1Br ZINC000111476984 1017515232 /nfs/dbraw/zinc/51/52/32/1017515232.db2.gz ALOMMLXALHVGHF-UHFFFAOYSA-N -1 0 340.217 3.587 20 0 EHADRM C[C@H](CC(=O)N[C@@H](CC(=O)[O-])C1CCCCC1)Cc1cccc(F)c1 ZINC000537403537 1032704859 /nfs/dbraw/zinc/70/48/59/1032704859.db2.gz RDWHJRBBBCQZIQ-KSSFIOAISA-N -1 0 349.446 3.934 20 0 EHADRM Cc1c(NC(=O)[C@H](C)Oc2ccccc2Cl)cccc1C(=O)[O-] ZINC000320165288 1017782611 /nfs/dbraw/zinc/78/26/11/1017782611.db2.gz POKJIEXLYZSNQN-NSHDSACASA-N -1 0 333.771 3.753 20 0 EHADRM C[C@@H](CNC(=O)N(C)[C@@H](C)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000655884303 1017858163 /nfs/dbraw/zinc/85/81/63/1017858163.db2.gz FPWUPHNYBPJCCB-GJZGRUSLSA-N -1 0 340.423 3.777 20 0 EHADRM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2c([O-])cc(F)cc2F)C1 ZINC000606534375 1032741471 /nfs/dbraw/zinc/74/14/71/1032741471.db2.gz KNTIVFRJKFVREH-STQMWFEESA-N -1 0 331.362 3.997 20 0 EHADRM O=C(N[C@H](c1ccccc1)c1ccccn1)c1cc(O)ccc1Cl ZINC000377669767 1018167931 /nfs/dbraw/zinc/16/79/31/1018167931.db2.gz GTXQKVHQUBQSQE-GOSISDBHSA-N -1 0 338.794 3.960 20 0 EHADRM CCC[C@]1(C)CCCN(C(=O)c2nn(-c3ccccc3F)cc2[O-])C1 ZINC000468615168 1018229998 /nfs/dbraw/zinc/22/99/98/1018229998.db2.gz KOVANNWDZMCDAE-LJQANCHMSA-N -1 0 345.418 3.759 20 0 EHADRM Cc1cc([N-]C(=O)c2nc(-c3ccc(C(C)(C)C)cc3)no2)no1 ZINC000683747336 1018292131 /nfs/dbraw/zinc/29/21/31/1018292131.db2.gz FSKVTPCFSHIVEP-UHFFFAOYSA-N -1 0 326.356 3.583 20 0 EHADRM C[C@@H](O)C[C@@H]1CCCCCN1C(=O)c1cc(O)cc(C(F)(F)F)c1 ZINC000623026764 1018472480 /nfs/dbraw/zinc/47/24/80/1018472480.db2.gz SWNMOFHVAQLVDZ-RISCZKNCSA-N -1 0 345.361 3.567 20 0 EHADRM CCCCc1cc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)[nH]n1 ZINC000471520983 1018501488 /nfs/dbraw/zinc/50/14/88/1018501488.db2.gz HKKUHEPMCGHEAN-UHFFFAOYSA-N -1 0 348.255 3.860 20 0 EHADRM CCOc1cncc(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)c1 ZINC001210665498 1018532300 /nfs/dbraw/zinc/53/23/00/1018532300.db2.gz UEPJRQUFLGCLIF-UHFFFAOYSA-N -1 0 344.392 3.624 20 0 EHADRM CC(C)c1scnc1C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000377936763 1018568799 /nfs/dbraw/zinc/56/87/99/1018568799.db2.gz FWSJKZMQCNSVSI-UHFFFAOYSA-N -1 0 336.467 3.521 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)N(C)C1(C(=O)[O-])CCCC1 ZINC000580150035 1018710080 /nfs/dbraw/zinc/71/00/80/1018710080.db2.gz ULQWNAAINBWLCE-OAHLLOKOSA-N -1 0 346.471 3.782 20 0 EHADRM COc1ccccc1C(C)(C)C/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000062692453 1032786082 /nfs/dbraw/zinc/78/60/82/1032786082.db2.gz XMNCCGZEXXZING-YBFXNURJSA-N -1 0 328.368 3.706 20 0 EHADRM CC(C)C[C@H]1CCCCCN1C(=O)N=c1nc2cc(Cl)ccn2[n-]1 ZINC000576436212 1018993500 /nfs/dbraw/zinc/99/35/00/1018993500.db2.gz PMKMJJNOBGBVPD-CQSZACIVSA-N -1 0 349.866 3.627 20 0 EHADRM C[C@@H]1c2ccccc2OCCN1C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC001167379011 1019023091 /nfs/dbraw/zinc/02/30/91/1019023091.db2.gz JKYAOYMREXRCRA-LLVKDONJSA-N -1 0 340.404 3.712 20 0 EHADRM CCc1nc(C)c([N-]S(=O)(=O)c2cc(Cl)ccc2F)s1 ZINC000340634875 1019035192 /nfs/dbraw/zinc/03/51/92/1019035192.db2.gz IFTNOZOGYJNFFH-UHFFFAOYSA-N -1 0 334.825 3.607 20 0 EHADRM COc1ccc(C(=O)[O-])cc1NCc1c[nH]nc1-c1cccc(C)c1 ZINC000340677509 1019175648 /nfs/dbraw/zinc/17/56/48/1019175648.db2.gz RSDAQSGCSHNGMT-UHFFFAOYSA-N -1 0 337.379 3.704 20 0 EHADRM COCCOc1cccc(CNc2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000340679037 1019194566 /nfs/dbraw/zinc/19/45/66/1019194566.db2.gz OJFVCYPTWOMCIZ-UHFFFAOYSA-N -1 0 329.396 3.639 20 0 EHADRM CCCc1nc(=NC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)s[n-]1 ZINC000580380728 1019228307 /nfs/dbraw/zinc/22/83/07/1019228307.db2.gz YSZUGHAZLULFDQ-ZDUSSCGKSA-N -1 0 344.484 3.745 20 0 EHADRM CCC(CC)(NC(=O)Nc1ccc(CCC(F)(F)F)cc1)C(=O)[O-] ZINC000580409775 1019315895 /nfs/dbraw/zinc/31/58/95/1019315895.db2.gz OFYASIRHLBDJPT-UHFFFAOYSA-N -1 0 346.349 3.946 20 0 EHADRM COc1ccc2c(c1)[C@@H](C(=O)Nc1cccc(C(=O)[O-])c1C)CCC2 ZINC000656233784 1019480408 /nfs/dbraw/zinc/48/04/08/1019480408.db2.gz KFTBHXUOAYTHHD-INIZCTEOSA-N -1 0 339.391 3.760 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000262181395 1019558330 /nfs/dbraw/zinc/55/83/30/1019558330.db2.gz MNEMDVOJWGKLJA-UHFFFAOYSA-N -1 0 337.828 3.691 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)C[C@H](C)CC(=O)[O-])c(F)c1 ZINC000656248429 1019598407 /nfs/dbraw/zinc/59/84/07/1019598407.db2.gz CEWDRDJVYJPPBK-LBPRGKRZSA-N -1 0 325.380 3.690 20 0 EHADRM COC(=O)c1nc(N[C@H](C)c2c(F)cccc2Cl)sc1C ZINC000433785084 1019608983 /nfs/dbraw/zinc/60/89/83/1019608983.db2.gz OZINBVFDKCJTKT-SSDOTTSWSA-N -1 0 328.796 3.626 20 0 EHADRM CCc1coc(NC(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])n1 ZINC000580577086 1019669445 /nfs/dbraw/zinc/66/94/45/1019669445.db2.gz HOFVYBUGIOFULE-UHFFFAOYSA-N -1 0 340.383 3.504 20 0 EHADRM CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)CC2 ZINC000262953340 1019775151 /nfs/dbraw/zinc/77/51/51/1019775151.db2.gz LLOCDFKVWMRIHO-IIDMSEBBSA-N -1 0 329.440 3.805 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)[C@@H](C(=O)[O-])C1 ZINC000263039129 1019796893 /nfs/dbraw/zinc/79/68/93/1019796893.db2.gz PAWXKGLQLFWRPL-SMDDNHRTSA-N -1 0 347.798 3.925 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)c2cc3c(s2)CCCCC3)C1 ZINC000261632025 1019848514 /nfs/dbraw/zinc/84/85/14/1019848514.db2.gz DCUXTMAYDUYBOQ-GOSISDBHSA-N -1 0 335.469 3.590 20 0 EHADRM CC(C)(C(=O)[N-]OCc1cccnc1)c1cccc(C(F)(F)F)c1 ZINC000155818374 1019852094 /nfs/dbraw/zinc/85/20/94/1019852094.db2.gz JZBIWSMAQRVZJW-UHFFFAOYSA-N -1 0 338.329 3.626 20 0 EHADRM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)[C@H]1CC[C@@H]1C(=O)[O-] ZINC000263525866 1019924597 /nfs/dbraw/zinc/92/45/97/1019924597.db2.gz JSQGZFDMNLYJQS-MIMYLULJSA-N -1 0 330.211 3.624 20 0 EHADRM CC(C)(C(=O)[O-])C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000580774501 1020002115 /nfs/dbraw/zinc/00/21/15/1020002115.db2.gz SRPUGVUWKDABBX-DGCLKSJQSA-N -1 0 343.345 3.569 20 0 EHADRM CCN(CC(=O)[O-])C(=O)Nc1cccc(CO[C@@H]2CCC[C@@H](C)C2)c1 ZINC000580792988 1020017940 /nfs/dbraw/zinc/01/79/40/1020017940.db2.gz NHBLCTHQVDTCOU-RHSMWYFYSA-N -1 0 348.443 3.720 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cccnc2OC(C)C)c1Cl ZINC000557624947 1020091019 /nfs/dbraw/zinc/09/10/19/1020091019.db2.gz UABXBCYSQPQULV-UHFFFAOYSA-N -1 0 340.832 3.631 20 0 EHADRM C[C@]1(O)CCCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CC1 ZINC000280190148 1020153378 /nfs/dbraw/zinc/15/33/78/1020153378.db2.gz CZKWFUKWNCFUIQ-SFHVURJKSA-N -1 0 333.815 3.576 20 0 EHADRM CC[C@]1(C)C[C@H]1C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000455937147 1032884196 /nfs/dbraw/zinc/88/41/96/1032884196.db2.gz UZQBRSHEQZAKRO-YWPYICTPSA-N -1 0 329.318 3.541 20 0 EHADRM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2ccc3[n-]c(=S)oc3c2)c1 ZINC000160743571 1020386396 /nfs/dbraw/zinc/38/63/96/1020386396.db2.gz KOQAQODCBRXHID-KBPBESRZSA-N -1 0 340.404 3.867 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1cn[nH]c1-c1ccsc1 ZINC000345602807 1020396855 /nfs/dbraw/zinc/39/68/55/1020396855.db2.gz GQEVZPGUDSYRIN-UHFFFAOYSA-N -1 0 337.763 3.889 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)COc2cc(C)cc(C)c2)c1 ZINC000581184035 1020505219 /nfs/dbraw/zinc/50/52/19/1020505219.db2.gz OVQLFEQBTYJRLR-UHFFFAOYSA-N -1 0 327.380 3.619 20 0 EHADRM CC(C)(C)c1csc([N-]S(=O)(=O)c2cccc3cnccc32)n1 ZINC000126446370 1020687088 /nfs/dbraw/zinc/68/70/88/1020687088.db2.gz AWRLTYKYLSVKRT-UHFFFAOYSA-N -1 0 347.465 3.790 20 0 EHADRM CC[C@@H](CSc1ccccc1)N=c1[n-]nc(C2CCOCC2)s1 ZINC000581323216 1020690925 /nfs/dbraw/zinc/69/09/25/1020690925.db2.gz YCMREKJIZILMIE-AWEZNQCLSA-N -1 0 349.525 3.837 20 0 EHADRM Cc1cc(Cl)c2ccccc2c1NC(=O)C[C@@]1(C(=O)[O-])CCOC1 ZINC000656482454 1020700831 /nfs/dbraw/zinc/70/08/31/1020700831.db2.gz HLVHXYARMBPKIV-SFHVURJKSA-N -1 0 347.798 3.622 20 0 EHADRM CSc1c(F)cccc1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000656487624 1020709856 /nfs/dbraw/zinc/70/98/56/1020709856.db2.gz WQIAYFQTKFHUCC-UHFFFAOYSA-N -1 0 325.405 3.911 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccccc1COc1ccccc1 ZINC000581380309 1020766757 /nfs/dbraw/zinc/76/67/57/1020766757.db2.gz PHKAQXPEICMMHA-AWEZNQCLSA-N -1 0 327.380 3.705 20 0 EHADRM CC(C)c1ccc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)c(O)c1 ZINC000048399882 1020775506 /nfs/dbraw/zinc/77/55/06/1020775506.db2.gz GTCDXGAXNWVMHK-UHFFFAOYSA-N -1 0 349.434 3.974 20 0 EHADRM CC(C)c1cccc(OCC(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC000261894936 1020843506 /nfs/dbraw/zinc/84/35/06/1020843506.db2.gz ASINCRCWBKJZRH-UHFFFAOYSA-N -1 0 341.407 3.845 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(F)c3ccccc23)C1 ZINC000326094755 1020853114 /nfs/dbraw/zinc/85/31/14/1020853114.db2.gz UZSMCDSGJNOKAS-IBGZPJMESA-N -1 0 329.371 3.552 20 0 EHADRM O=C([O-])c1ccc2c(c1)N(C(=O)C1CCC(C(F)(F)F)CC1)CC2 ZINC000326111917 1020854674 /nfs/dbraw/zinc/85/46/74/1020854674.db2.gz DHTHKUOFRQBIEK-UHFFFAOYSA-N -1 0 341.329 3.643 20 0 EHADRM CCOc1ccc(C[NH2+][C@H](C(=O)[O-])c2ccc(F)cc2F)c(C)c1 ZINC000656567488 1020924136 /nfs/dbraw/zinc/92/41/36/1020924136.db2.gz RANVUSWCSXRKLS-KRWDZBQOSA-N -1 0 335.350 3.587 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000581465904 1020936734 /nfs/dbraw/zinc/93/67/34/1020936734.db2.gz SELZSDRYBBMKTK-HYVNUMGLSA-N -1 0 332.444 3.813 20 0 EHADRM COCc1csc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(C)c2)c1 ZINC000656572317 1020942209 /nfs/dbraw/zinc/94/22/09/1020942209.db2.gz HBZSFKDYPKPBHP-OAHLLOKOSA-N -1 0 339.844 3.772 20 0 EHADRM CSc1cc(NC(=O)N2CCC(CCC(=O)[O-])CC2)ccc1C ZINC000656603801 1020990803 /nfs/dbraw/zinc/99/08/03/1020990803.db2.gz ZTOIXNYVDMXJBN-UHFFFAOYSA-N -1 0 336.457 3.826 20 0 EHADRM O=C([O-])c1c2c(nc3ccccc31)/C(=C\c1cc3n(n1)CCC3)CC2 ZINC000656612585 1021024283 /nfs/dbraw/zinc/02/42/83/1021024283.db2.gz GESSBMZOFWTHSR-BENRWUELSA-N -1 0 331.375 3.563 20 0 EHADRM Cc1cc(C)cc(-c2cc(=NC(=O)Cc3cc(F)ccc3F)[nH][nH]2)c1 ZINC000439152235 1021171119 /nfs/dbraw/zinc/17/11/19/1021171119.db2.gz BBAGJBBJSAUKMJ-UHFFFAOYSA-N -1 0 341.361 3.575 20 0 EHADRM COc1cc(C(=O)N[C@@H](C)c2cc(C)ccc2OC)cc(Cl)c1O ZINC000436766209 1021213535 /nfs/dbraw/zinc/21/35/35/1021213535.db2.gz RNNDIEAFEJVCOI-NSHDSACASA-N -1 0 349.814 3.862 20 0 EHADRM O=C(N[C@H]1CCOc2ccc(F)cc21)c1cc(F)cc(Cl)c1[O-] ZINC000436784429 1021225089 /nfs/dbraw/zinc/22/50/89/1021225089.db2.gz QACIDFVATMEYAJ-ZDUSSCGKSA-N -1 0 339.725 3.577 20 0 EHADRM Cc1ccnc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2)c1C1CC1 ZINC000656739597 1021234500 /nfs/dbraw/zinc/23/45/00/1021234500.db2.gz ORMMBFZIIYHGHN-UHFFFAOYSA-N -1 0 340.807 3.861 20 0 EHADRM Cc1cccc2oc(CCNC(=O)c3cc(F)cc(Cl)c3[O-])nc21 ZINC000436795230 1021238987 /nfs/dbraw/zinc/23/89/87/1021238987.db2.gz YMZIRKCJSFIPMZ-UHFFFAOYSA-N -1 0 348.761 3.607 20 0 EHADRM COC(=O)c1c(C)c(NC(=O)c2ccc([O-])c(Cl)c2)ccc1F ZINC000436795549 1021240003 /nfs/dbraw/zinc/24/00/03/1021240003.db2.gz RMFKHHAAVCXSQT-UHFFFAOYSA-N -1 0 337.734 3.532 20 0 EHADRM Cc1ccc(C(F)(F)F)c([N-]S(=O)(=O)c2cnn(C(C)C)c2)c1 ZINC000656741484 1021240102 /nfs/dbraw/zinc/24/01/02/1021240102.db2.gz GPIZSDDIKZQMQM-UHFFFAOYSA-N -1 0 347.362 3.592 20 0 EHADRM COc1ccc(C(=O)N2CCC(c3ccc(F)cc3C)CC2)c(O)c1 ZINC000436796601 1021242026 /nfs/dbraw/zinc/24/20/26/1021242026.db2.gz WOIGUCNENPKNPV-UHFFFAOYSA-N -1 0 343.398 3.868 20 0 EHADRM CO[C@@H]1CCOc2c(NC(=O)c3cc(Cl)ccc3[O-])cccc21 ZINC000436807050 1021251587 /nfs/dbraw/zinc/25/15/87/1021251587.db2.gz JZEDMTGXONUQOJ-OAHLLOKOSA-N -1 0 333.771 3.768 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CCOc2ccccc2F)c1 ZINC000436830224 1021262946 /nfs/dbraw/zinc/26/29/46/1021262946.db2.gz CSOCSGDKOFSTRK-UHFFFAOYSA-N -1 0 331.343 3.532 20 0 EHADRM Cc1cnccc1CNC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436832608 1021264142 /nfs/dbraw/zinc/26/41/42/1021264142.db2.gz JHTJRTGQAVSKRP-UHFFFAOYSA-N -1 0 326.783 3.832 20 0 EHADRM Cc1nc2ccc(S(=O)(=O)Nc3cccc(F)c3C)cc2s1 ZINC000427269861 1021269692 /nfs/dbraw/zinc/26/96/92/1021269692.db2.gz OCJHNGBRRLXGKW-UHFFFAOYSA-N -1 0 336.413 3.853 20 0 EHADRM C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)cn1 ZINC000187730448 1021289583 /nfs/dbraw/zinc/28/95/83/1021289583.db2.gz OFCSDPJWQQDGHA-ZDUSSCGKSA-N -1 0 341.436 3.808 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)CSc2ccccc2Cl)c1 ZINC000436876991 1021295314 /nfs/dbraw/zinc/29/53/14/1021295314.db2.gz MDVYADDMPRJTAP-UHFFFAOYSA-N -1 0 335.812 3.979 20 0 EHADRM CC(C)c1ccccc1OCCNC(=O)c1ccc([O-])c(Cl)c1 ZINC000436861382 1021300764 /nfs/dbraw/zinc/30/07/64/1021300764.db2.gz DODATUGJCRGEMW-UHFFFAOYSA-N -1 0 333.815 3.978 20 0 EHADRM CCCCc1nc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)cs1 ZINC000656766384 1021300995 /nfs/dbraw/zinc/30/09/95/1021300995.db2.gz RBRSPKIBUOPYEX-HRCADAONSA-N -1 0 336.501 3.951 20 0 EHADRM COc1ccc(/C=C\c2nc3cc(C(=O)[O-])ccc3o2)cc1OC ZINC000439277085 1021313519 /nfs/dbraw/zinc/31/35/19/1021313519.db2.gz RRDLHDSQIIJVJU-YWEYNIOJSA-N -1 0 325.320 3.714 20 0 EHADRM Cc1c(F)cccc1NC(=O)c1cc(F)cc(Br)c1[O-] ZINC000436890272 1021341912 /nfs/dbraw/zinc/34/19/12/1021341912.db2.gz TWMUPFRSZMYWSN-UHFFFAOYSA-N -1 0 342.139 3.994 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)c2ncoc2-c2ccc(F)cc2)c1 ZINC000436889477 1021344300 /nfs/dbraw/zinc/34/43/00/1021344300.db2.gz CDWLISYOTISJCE-UHFFFAOYSA-N -1 0 340.310 3.641 20 0 EHADRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1nc(C2CCC2)cs1 ZINC000516388476 1021378865 /nfs/dbraw/zinc/37/88/65/1021378865.db2.gz AUSDCZLZBDBKRM-UHFFFAOYSA-N -1 0 326.418 3.659 20 0 EHADRM C[C@H]1SCCN(C(=O)c2c([O-])cccc2F)[C@@H]1c1ccccc1 ZINC000436948371 1021407507 /nfs/dbraw/zinc/40/75/07/1021407507.db2.gz OLSPYHKBBQOCGP-PXAZEXFGSA-N -1 0 331.412 3.850 20 0 EHADRM C[C@H]1COCC[C@@H]1NC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436949127 1021410228 /nfs/dbraw/zinc/41/02/28/1021410228.db2.gz LPLZGDRBTJYQSC-SJCJKPOMSA-N -1 0 345.826 3.867 20 0 EHADRM COc1csc(C(=O)N=c2[n-]nc(-c3ccc(C)cc3C)s2)c1 ZINC000473602387 1021414092 /nfs/dbraw/zinc/41/40/92/1021414092.db2.gz BGYGXNDOZPZRSY-UHFFFAOYSA-N -1 0 345.449 3.566 20 0 EHADRM CCOc1ccc2c(c1)CCN(C(=O)c1cc(F)c([O-])c(Cl)c1)C2 ZINC000436965786 1021415538 /nfs/dbraw/zinc/41/55/38/1021415538.db2.gz OMPGWBCVGUDCCW-UHFFFAOYSA-N -1 0 349.789 3.782 20 0 EHADRM O=C(Nc1ccc(Oc2cccnc2)nc1)c1cc(F)c([O-])c(F)c1 ZINC000436969278 1021416228 /nfs/dbraw/zinc/41/62/28/1021416228.db2.gz YIGFIECYTQJUQL-UHFFFAOYSA-N -1 0 343.289 3.505 20 0 EHADRM Cc1nnc([C@@H](C)NC(=O)c2cc(Cl)c3ccccc3c2[O-])s1 ZINC000436950768 1021416564 /nfs/dbraw/zinc/41/65/64/1021416564.db2.gz CSYRUVHEUYCCPW-MRVPVSSYSA-N -1 0 347.827 3.850 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc(Br)ccc2O)CC1(C)C ZINC000436957608 1021421719 /nfs/dbraw/zinc/42/17/19/1021421719.db2.gz YZWDOOQQMHXAAK-SNVBAGLBSA-N -1 0 326.234 3.663 20 0 EHADRM Cc1ccc(-c2csc(C(C#N)=C([O-])C=Cc3cnn(C)c3)n2)cc1 ZINC000051151001 1021427053 /nfs/dbraw/zinc/42/70/53/1021427053.db2.gz ADXIISZWBUOMSU-CDVVCGDMSA-N -1 0 348.431 3.742 20 0 EHADRM Cc1nc(COC(C)(C)C)oc1C(=O)Nc1c(O)cccc1Cl ZINC000519615598 1021433832 /nfs/dbraw/zinc/43/38/32/1021433832.db2.gz QVIRLBINVGVTCW-UHFFFAOYSA-N -1 0 338.791 3.909 20 0 EHADRM O=C([O-])C1(CC(=O)NC[C@H]2CCCC(F)(F)C2)CCCCCC1 ZINC000507694477 1021446695 /nfs/dbraw/zinc/44/66/95/1021446695.db2.gz YTBKVMCLPBPFRY-ZDUSSCGKSA-N -1 0 331.403 3.743 20 0 EHADRM C[C@@H](CO)N(CC1CCC1)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436994230 1021447985 /nfs/dbraw/zinc/44/79/85/1021447985.db2.gz LKDCDPCNICIJCB-LBPRGKRZSA-N -1 0 347.842 3.822 20 0 EHADRM C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000436997545 1021455781 /nfs/dbraw/zinc/45/57/81/1021455781.db2.gz GJHMSCFQTUVCDK-RNCFNFMXSA-N -1 0 344.224 3.945 20 0 EHADRM O=C(NCc1ccc2ccccc2n1)c1cc(F)c([O-])c(Cl)c1 ZINC000437003092 1021457508 /nfs/dbraw/zinc/45/75/08/1021457508.db2.gz JDHABUDRHLRDFJ-UHFFFAOYSA-N -1 0 330.746 3.663 20 0 EHADRM CCc1cc(OC)ccc1CN=c1[n-]nc(-c2ccc(C)s2)o1 ZINC000507727092 1021506869 /nfs/dbraw/zinc/50/68/69/1021506869.db2.gz PYTKRCMDGMCDAZ-UHFFFAOYSA-N -1 0 329.425 3.712 20 0 EHADRM O=C([O-])[C@]12CCC[C@@H]1CN(C(=O)c1ccc3c(c1)Cc1ccccc1-3)C2 ZINC000341366251 1021549833 /nfs/dbraw/zinc/54/98/33/1021549833.db2.gz RYRHNEMKJYKGRD-VGSWGCGISA-N -1 0 347.414 3.585 20 0 EHADRM O=C(NCC1(CCO)CC1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000188010191 1021570528 /nfs/dbraw/zinc/57/05/28/1021570528.db2.gz ICSYIHAYEYFCOD-UHFFFAOYSA-N -1 0 345.826 3.605 20 0 EHADRM CC(C)c1nn(-c2ccccc2)cc1CNC(=O)C(F)(F)C(F)F ZINC000760022789 1021599904 /nfs/dbraw/zinc/59/99/04/1021599904.db2.gz OCDZATMKSYMSJO-UHFFFAOYSA-N -1 0 343.324 3.512 20 0 EHADRM Cc1nc(C)c([C@@H](C)N(C)C(=O)CC2CCC(C(=O)[O-])CC2)s1 ZINC000581728660 1021630742 /nfs/dbraw/zinc/63/07/42/1021630742.db2.gz QLFDOEXTPXRMJI-LMWSTFAQSA-N -1 0 338.473 3.560 20 0 EHADRM O=C(NC1(c2ccccc2)CC1)c1cccc(Br)c1[O-] ZINC000518867899 1021652325 /nfs/dbraw/zinc/65/23/25/1021652325.db2.gz AVYMEVBQGAYCPV-UHFFFAOYSA-N -1 0 332.197 3.574 20 0 EHADRM O=C(NCc1ccc(O)c(F)c1)N[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000519746623 1021655139 /nfs/dbraw/zinc/65/51/39/1021655139.db2.gz HORBVDCTUBQQEK-JOCQHMNTSA-N -1 0 348.805 3.930 20 0 EHADRM COc1cc(C)c([N-]S(=O)(=O)c2sccc2C)c(C)c1C ZINC000519754366 1021673051 /nfs/dbraw/zinc/67/30/51/1021673051.db2.gz ICIADKXEGNKWKB-UHFFFAOYSA-N -1 0 325.455 3.791 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)NC1(c2ccc(F)cc2F)CCCCC1 ZINC000519837231 1021711515 /nfs/dbraw/zinc/71/15/15/1021711515.db2.gz TVTREESAHQGVDE-LBPRGKRZSA-N -1 0 339.382 3.741 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cccc(F)c2F)c2cccnc2c1C ZINC000437323596 1021729514 /nfs/dbraw/zinc/72/95/14/1021729514.db2.gz HAKFWKMVBCZFOF-UHFFFAOYSA-N -1 0 348.374 3.931 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)[C@@H]2C[C@@H]2C2CCCC2)c1 ZINC000593695397 1033007056 /nfs/dbraw/zinc/00/70/56/1033007056.db2.gz NJGLEOFJSHUVNB-HZPDHXFCSA-N -1 0 333.453 3.769 20 0 EHADRM O=S(=O)([N-]c1ccccc1Nc1ccccc1)c1cncc(F)c1 ZINC000440819074 1021789506 /nfs/dbraw/zinc/78/95/06/1021789506.db2.gz LHRYTHPCOIHRMT-UHFFFAOYSA-N -1 0 343.383 3.765 20 0 EHADRM CCSc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1 ZINC000439895146 1021809733 /nfs/dbraw/zinc/80/97/33/1021809733.db2.gz OYLTXOBMZMWPTA-KBMXLJTQSA-N -1 0 333.453 3.657 20 0 EHADRM Cc1nc(C)c(S(=O)(=O)[N-]c2ccnc(-c3ccccc3)c2)s1 ZINC000341420001 1021818298 /nfs/dbraw/zinc/81/82/98/1021818298.db2.gz DUHYWEHUKBWVCH-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM Cc1ccc([C@H](CNC(=O)c2cc(Cl)ccc2C)C(=O)[O-])cc1 ZINC000439940570 1021833768 /nfs/dbraw/zinc/83/37/68/1021833768.db2.gz LUANPTZKFSLQPK-INIZCTEOSA-N -1 0 331.799 3.555 20 0 EHADRM C[C@H](NC(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1)c1cccc2ccccc21 ZINC000517028301 1021957894 /nfs/dbraw/zinc/95/78/94/1021957894.db2.gz AKEJEEALYHPDID-QWQRMKEZSA-N -1 0 340.423 3.653 20 0 EHADRM CCCN(C(=O)Nc1ccc(OC(C)C)c(C)c1)[C@H](CC)C(=O)[O-] ZINC000519288296 1021976027 /nfs/dbraw/zinc/97/60/27/1021976027.db2.gz RNEKPLBFJQJRDG-OAHLLOKOSA-N -1 0 336.432 3.889 20 0 EHADRM COc1cccc(Cl)c1CNC(=O)c1ccc([O-])c(Cl)c1 ZINC000188286560 1021977520 /nfs/dbraw/zinc/97/75/20/1021977520.db2.gz JZUJOUUDUGFYOD-UHFFFAOYSA-N -1 0 326.179 3.638 20 0 EHADRM COCCc1nc(=N[C@@H](c2ccc(Cl)cc2)C(C)C)s[n-]1 ZINC000426601321 1022007713 /nfs/dbraw/zinc/00/77/13/1022007713.db2.gz SRWZSIDVTHIKCK-CQSZACIVSA-N -1 0 325.865 3.612 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N2Cc3ccccc3C[C@H]2C)s1 ZINC000437623342 1022009169 /nfs/dbraw/zinc/00/91/69/1022009169.db2.gz BTLMIRDGKQAKSM-GFCCVEGCSA-N -1 0 344.484 3.842 20 0 EHADRM CCCOc1ccc([N-]S(=O)(=O)c2ccco2)cc1OCCC ZINC000437676043 1022046963 /nfs/dbraw/zinc/04/69/63/1022046963.db2.gz SPNCWQJRLLHFLK-UHFFFAOYSA-N -1 0 339.413 3.658 20 0 EHADRM Cc1cccc(Oc2ccc([N-]S(=O)(=O)c3ccco3)cn2)c1C ZINC000437678925 1022050714 /nfs/dbraw/zinc/05/07/14/1022050714.db2.gz WXFIWYGUZBEVGE-UHFFFAOYSA-N -1 0 344.392 3.885 20 0 EHADRM C[C@H](Sc1n[n-]c(=NCc2ccccc2)s1)c1cccnc1 ZINC000341520875 1022055643 /nfs/dbraw/zinc/05/56/43/1022055643.db2.gz BXFCRLYEXQTWCW-LBPRGKRZSA-N -1 0 328.466 3.820 20 0 EHADRM Cc1nc(=NC(=O)c2cc(C3CC3)nc3c(C)cc(C)cc23)s[n-]1 ZINC000437693751 1022061833 /nfs/dbraw/zinc/06/18/33/1022061833.db2.gz RXXZMFJEBKGQHC-UHFFFAOYSA-N -1 0 338.436 3.563 20 0 EHADRM O=C(N[C@H](c1cccnc1)C1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000520252053 1022068828 /nfs/dbraw/zinc/06/88/28/1022068828.db2.gz UYLISMGJOKNOKD-AWEZNQCLSA-N -1 0 336.313 3.687 20 0 EHADRM Cc1n[n-]c(=NC(=O)N(Cc2ccccc2)[C@H]2CCCC2(C)C)s1 ZINC000426643282 1022128802 /nfs/dbraw/zinc/12/88/02/1022128802.db2.gz OAPIPWCGFOZFDT-HNNXBMFYSA-N -1 0 344.484 3.881 20 0 EHADRM CC1(CC(=O)[N-]S(=O)(=O)c2ccccc2Cl)CCCCC1 ZINC000125913196 1022133089 /nfs/dbraw/zinc/13/30/89/1022133089.db2.gz IKLPZIRMEYEQMF-UHFFFAOYSA-N -1 0 329.849 3.505 20 0 EHADRM Cc1c(Br)ccc(C(=O)Nc2cccc(O)c2F)c1F ZINC000559984109 1022207693 /nfs/dbraw/zinc/20/76/93/1022207693.db2.gz WWMPEHPRURCTGD-UHFFFAOYSA-N -1 0 342.139 3.994 20 0 EHADRM O=S(=O)([N-]c1noc2ccccc21)c1ccc(Cl)cc1Cl ZINC000581907319 1022272371 /nfs/dbraw/zinc/27/23/71/1022272371.db2.gz KRQYDADGSJMLJO-UHFFFAOYSA-N -1 0 343.191 3.935 20 0 EHADRM Cc1cc(NC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)ccc1C(F)(F)F ZINC000574324019 1033042743 /nfs/dbraw/zinc/04/27/43/1033042743.db2.gz QGHGEJQKXKJPQN-CABZTGNLSA-N -1 0 344.333 3.588 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N(C)C2CCC2)s1)c1ccccc1 ZINC000438015397 1022322279 /nfs/dbraw/zinc/32/22/79/1022322279.db2.gz FMYAKHOBXQNBML-CQSZACIVSA-N -1 0 330.457 3.518 20 0 EHADRM O=S(=O)([N-]c1ccc2[nH]ccc2c1)c1ccccc1C(F)(F)F ZINC000112850720 1022346193 /nfs/dbraw/zinc/34/61/93/1022346193.db2.gz GJGWLFRZIDGYRR-UHFFFAOYSA-N -1 0 340.326 3.988 20 0 EHADRM C[C@]1(c2ccccc2)CN(Cc2c(Cl)cccc2C(=O)[O-])CCO1 ZINC000574332582 1033044769 /nfs/dbraw/zinc/04/47/69/1033044769.db2.gz SBHJPLBMOJNTES-LJQANCHMSA-N -1 0 345.826 3.786 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC(C)CC3)n2)cc1 ZINC000124058456 1022445618 /nfs/dbraw/zinc/44/56/18/1022445618.db2.gz JUZSTANXFOODJS-UHFFFAOYSA-N -1 0 327.428 3.573 20 0 EHADRM C[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655579002 1022518034 /nfs/dbraw/zinc/51/80/34/1022518034.db2.gz YWLXLLXADCQGSX-MFGQWXODSA-N -1 0 349.858 3.695 20 0 EHADRM O=S(=O)([N-]c1cccc2n[nH]cc21)c1cc(Cl)ccc1Cl ZINC000054293851 1022549703 /nfs/dbraw/zinc/54/97/03/1022549703.db2.gz OBFBRMKJZFXVNF-UHFFFAOYSA-N -1 0 342.207 3.671 20 0 EHADRM C[C@H](NC(=O)[C@H](C)c1ccc(Cl)s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655579712 1022566591 /nfs/dbraw/zinc/56/65/91/1022566591.db2.gz XBHIYXZKGQYENY-VPOLOUISSA-N -1 0 343.876 3.757 20 0 EHADRM CC1(C)C[C@@H](C(=O)Nc2cc(Br)ccc2O)C(C)(C)O1 ZINC000528899871 1033066266 /nfs/dbraw/zinc/06/62/66/1033066266.db2.gz CZCLWDOCYXODSC-JTQLQIEISA-N -1 0 342.233 3.687 20 0 EHADRM O=C(COC1CCCC1)Nc1cc(Cl)cc(Br)c1[O-] ZINC000330497929 1022597367 /nfs/dbraw/zinc/59/73/67/1022597367.db2.gz ZGYFWTNOSRHUJS-UHFFFAOYSA-N -1 0 348.624 3.706 20 0 EHADRM Cc1ccc(O)c(NC(=O)c2cnc(Cc3ccc(F)cc3)s2)n1 ZINC000345984763 1022712086 /nfs/dbraw/zinc/71/20/86/1022712086.db2.gz NGFYXFIYOLKKMC-UHFFFAOYSA-N -1 0 343.383 3.534 20 0 EHADRM CN(CCC1CCCCC1)C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000517879205 1022798928 /nfs/dbraw/zinc/79/89/28/1022798928.db2.gz HXGLRYQUQCDDJA-UHFFFAOYSA-N -1 0 345.418 3.759 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2cc(C)ccc2Cl)ccc1F ZINC000188581461 1022833028 /nfs/dbraw/zinc/83/30/28/1022833028.db2.gz LKKMLRJTWNTSET-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CC(C)(C)[C@H]1C[C@@H](NC(=O)c2cc(F)cc(Cl)c2[O-])CCO1 ZINC000334086585 1022848300 /nfs/dbraw/zinc/84/83/00/1022848300.db2.gz FWKKIZWASUKOMQ-GXFFZTMASA-N -1 0 329.799 3.508 20 0 EHADRM CCC(C)(C)[C@H]1CCCN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000122112307 1022849983 /nfs/dbraw/zinc/84/99/83/1022849983.db2.gz NNRGCJDUWSLGAP-MRXNPFEDSA-N -1 0 327.428 3.619 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2)cc1Cl ZINC000341661023 1022907075 /nfs/dbraw/zinc/90/70/75/1022907075.db2.gz SNUSMJMGTXZRDP-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM CCc1ccc2nc([N-]S(=O)(=O)c3ccccc3F)sc2c1 ZINC000535654017 1022925343 /nfs/dbraw/zinc/92/53/43/1022925343.db2.gz CTDITAFGPUOAEK-UHFFFAOYSA-N -1 0 336.413 3.799 20 0 EHADRM C[C@H](CCNC(=O)N=c1[n-]nc(-c2ccco2)s1)c1ccccc1 ZINC000506328692 1022937814 /nfs/dbraw/zinc/93/78/14/1022937814.db2.gz BPDQKOAATFNJPV-GFCCVEGCSA-N -1 0 342.424 3.535 20 0 EHADRM O=C([O-])Cc1ccccc1CNCc1csc(-c2cccs2)n1 ZINC000426679039 1022966483 /nfs/dbraw/zinc/96/64/83/1022966483.db2.gz GDZRNQOOYBBBEJ-UHFFFAOYSA-N -1 0 344.461 3.789 20 0 EHADRM Cc1c(Cl)cccc1C(=O)N=c1nc(Cc2ccccc2)[n-]s1 ZINC000426351089 1022969312 /nfs/dbraw/zinc/96/93/12/1022969312.db2.gz HMYRFPARENYWRD-UHFFFAOYSA-N -1 0 343.839 3.765 20 0 EHADRM COc1ccc(-c2cc3[n-]c(-c4cncs4)nc(=O)c3s2)cc1 ZINC000426138643 1022974084 /nfs/dbraw/zinc/97/40/84/1022974084.db2.gz SVDBIGIVHVFLKB-UHFFFAOYSA-N -1 0 341.417 3.784 20 0 EHADRM O=S(=O)([N-]c1nc(Cc2ccccc2)cs1)c1cccc(F)c1 ZINC000171155212 1033098141 /nfs/dbraw/zinc/09/81/41/1033098141.db2.gz XPVIVSKAQUQPRJ-UHFFFAOYSA-N -1 0 348.424 3.674 20 0 EHADRM Cc1cc2[nH]c(CN[C@@H](C(=O)[O-])c3c(F)cccc3F)cc2c(C)c1 ZINC000426732344 1023002943 /nfs/dbraw/zinc/00/29/43/1023002943.db2.gz IEWMKSUXUIKIPX-GOSISDBHSA-N -1 0 344.361 3.978 20 0 EHADRM O=C([O-])[C@@H](NCc1cccc(Cl)c1F)c1c(F)cccc1F ZINC000426743078 1023010375 /nfs/dbraw/zinc/01/03/75/1023010375.db2.gz RTPRRTNZULULCS-AWEZNQCLSA-N -1 0 329.705 3.673 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccccc2-c2cn[nH]c2)c1Cl ZINC000438806138 1023018245 /nfs/dbraw/zinc/01/82/45/1023018245.db2.gz ANCGYITUNKTWRI-UHFFFAOYSA-N -1 0 347.827 3.839 20 0 EHADRM O=C(NCc1ccc(Oc2ccccc2)cn1)c1cccc(F)c1[O-] ZINC001143584872 1023019732 /nfs/dbraw/zinc/01/97/32/1023019732.db2.gz MOAYNLRVFVAXGW-UHFFFAOYSA-N -1 0 338.338 3.649 20 0 EHADRM CC[C@H](CN=c1nc([C@H](C)OC)[n-]s1)Oc1ccccc1Cl ZINC000509549918 1023027920 /nfs/dbraw/zinc/02/79/20/1023027920.db2.gz UITYVNUEBACRMF-WDEREUQCSA-N -1 0 341.864 3.590 20 0 EHADRM CCCOCCOc1cccc(-c2cnc3[nH]cc(C(=O)[O-])c3c2)c1 ZINC000579377586 1023046692 /nfs/dbraw/zinc/04/66/92/1023046692.db2.gz STPJCDFRJZHRKA-UHFFFAOYSA-N -1 0 340.379 3.734 20 0 EHADRM CC[C@@H](C)Oc1cc(C)ccc1CN=c1nc([C@@H](C)OC)[n-]s1 ZINC000509564521 1023064921 /nfs/dbraw/zinc/06/49/21/1023064921.db2.gz SSOZUDCGOKQRJC-CHWSQXEVSA-N -1 0 335.473 3.765 20 0 EHADRM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000430978502 1023073554 /nfs/dbraw/zinc/07/35/54/1023073554.db2.gz PGBABVDMIRIJOY-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM COc1ccc(F)cc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000507011537 1023075408 /nfs/dbraw/zinc/07/54/08/1023075408.db2.gz BDLHZAPFFHFESM-UHFFFAOYSA-N -1 0 349.305 3.654 20 0 EHADRM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000430985748 1023091658 /nfs/dbraw/zinc/09/16/58/1023091658.db2.gz YAVSJAKEYLUEJN-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM CC[C@@H](C)c1ccc([C@H](NC(=O)N=c2[n-]ncs2)C(C)C)cc1 ZINC000518179828 1023107836 /nfs/dbraw/zinc/10/78/36/1023107836.db2.gz CCCXMDLHPSWAQK-IUODEOHRSA-N -1 0 332.473 3.992 20 0 EHADRM CCc1ccc(O)c(C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000426984548 1023146074 /nfs/dbraw/zinc/14/60/74/1023146074.db2.gz RZZDAWGUQNQECQ-HNNXBMFYSA-N -1 0 345.464 3.838 20 0 EHADRM Cc1c(Cl)cccc1N=c1[n-]nc(SCCC[C@@H](C)O)s1 ZINC000475998274 1023152379 /nfs/dbraw/zinc/15/23/79/1023152379.db2.gz XXPUHXBVUSGNFP-SECBINFHSA-N -1 0 343.905 3.919 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1ccccc1Nc1ccc(F)cc1F ZINC000507308606 1023238542 /nfs/dbraw/zinc/23/85/42/1023238542.db2.gz DTZTYBPLCNONHK-VXGBXAGGSA-N -1 0 346.333 3.758 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)[C@@H]3CC[C@@H](C)C3)n2)c1 ZINC000507300888 1023241408 /nfs/dbraw/zinc/24/14/08/1023241408.db2.gz QPTQPEDQHGSECY-GDBMZVCRSA-N -1 0 341.455 3.962 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-]c2nc(C3CCC3)cs2)cc1F ZINC000518357960 1023258655 /nfs/dbraw/zinc/25/86/55/1023258655.db2.gz LPBPUTIHWAOSEE-UHFFFAOYSA-N -1 0 340.445 3.800 20 0 EHADRM Cn1c(CN[C@H](CC(=O)[O-])c2ccsc2)nc2cc(Cl)ccc21 ZINC000276925684 1023386144 /nfs/dbraw/zinc/38/61/44/1023386144.db2.gz AUHVQVFUPFOHQG-GFCCVEGCSA-N -1 0 349.843 3.594 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2csc(-c3ccoc3)n2)CCCCC1 ZINC000537473524 1033127927 /nfs/dbraw/zinc/12/79/27/1033127927.db2.gz YJEURKKYLKNHST-UHFFFAOYSA-N -1 0 348.424 3.558 20 0 EHADRM O=S(=O)([N-]c1cc(F)cc(Cl)c1)c1c[nH]c2cccc(F)c21 ZINC000471963749 1023455384 /nfs/dbraw/zinc/45/53/84/1023455384.db2.gz KKXADMZCUCIBFW-UHFFFAOYSA-N -1 0 342.754 3.900 20 0 EHADRM CC(C)OCc1ccccc1CN=c1[n-]nc(C(F)(F)F)s1 ZINC000548481217 1023462718 /nfs/dbraw/zinc/46/27/18/1023462718.db2.gz FBUSKDZMOSHDMD-UHFFFAOYSA-N -1 0 331.363 3.516 20 0 EHADRM CC(C)(C)[C@H]1CCN(C(=O)N=c2[n-]nc(-c3ccccc3)s2)C1 ZINC000548482723 1023473142 /nfs/dbraw/zinc/47/31/42/1023473142.db2.gz BKSMAMNIXMVRHZ-ZDUSSCGKSA-N -1 0 330.457 3.527 20 0 EHADRM COc1cc(C[NH2+][C@H](CC(=O)[O-])c2ccsc2)ccc1OC(C)C ZINC000276973142 1023511910 /nfs/dbraw/zinc/51/19/10/1023511910.db2.gz HFISQIYUWKPMMC-OAHLLOKOSA-N -1 0 349.452 3.850 20 0 EHADRM Cc1cc(C)c(OCC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c(C)c1 ZINC000471976065 1023552107 /nfs/dbraw/zinc/55/21/07/1023552107.db2.gz DPZIIHDESXKWBF-UHFFFAOYSA-N -1 0 341.407 3.944 20 0 EHADRM C/C=C\c1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1 ZINC000518744742 1023572340 /nfs/dbraw/zinc/57/23/40/1023572340.db2.gz ICYJFIJFQNGMBR-HYXAFXHYSA-N -1 0 331.393 3.527 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cccc3c(OC)ccnc23)cc1 ZINC000535765772 1023614361 /nfs/dbraw/zinc/61/43/61/1023614361.db2.gz QBLKBJBWBHRDBO-UHFFFAOYSA-N -1 0 342.420 3.607 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cc(-c2ccccc2)on1 ZINC000471978389 1023665662 /nfs/dbraw/zinc/66/56/62/1023665662.db2.gz KIGPCPSRABFUQK-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM CC(C)CC[C@H]1CCCCN1C(=O)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000471980306 1023730512 /nfs/dbraw/zinc/73/05/12/1023730512.db2.gz UREZPJGMQFPJMT-GFCCVEGCSA-N -1 0 344.381 3.740 20 0 EHADRM CN(Cc1cc(Cl)ccc1F)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000434343562 1023968280 /nfs/dbraw/zinc/96/82/80/1023968280.db2.gz WSGAKAAEHHWJLU-UHFFFAOYSA-N -1 0 347.695 3.874 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)CC(C)(C)C)n2)c1 ZINC000550489243 1023974053 /nfs/dbraw/zinc/97/40/53/1023974053.db2.gz FTEUVFWCXFBUQS-UHFFFAOYSA-N -1 0 329.444 3.819 20 0 EHADRM CCC(C)(C)[C@H]1CCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000181247472 1024002882 /nfs/dbraw/zinc/00/28/82/1024002882.db2.gz RYPRXDDSHISUDK-MRXNPFEDSA-N -1 0 345.418 3.758 20 0 EHADRM CCCOc1cccc(C(=O)N=c2[nH][n-]c(-c3ccc(C)o3)c2C)c1 ZINC000434434136 1024042032 /nfs/dbraw/zinc/04/20/32/1024042032.db2.gz XYGFDQKKTBNRLW-UHFFFAOYSA-N -1 0 339.395 3.750 20 0 EHADRM C/C=C\COc1ccc(-c2cncc([C@@H]3OCC[C@H]3C(=O)[O-])c2)cc1 ZINC000657204120 1024081804 /nfs/dbraw/zinc/08/18/04/1024081804.db2.gz RXSLSMMXFSNBHT-GDIRUBCPSA-N -1 0 339.391 3.866 20 0 EHADRM COCCOCc1cccc(-c2cccc(Cl)c2CC(=O)[O-])c1 ZINC000657203589 1024083816 /nfs/dbraw/zinc/08/38/16/1024083816.db2.gz AQEGXLFNFYGVIT-UHFFFAOYSA-N -1 0 334.799 3.797 20 0 EHADRM O=C([O-])CCc1ccc(-c2ccccc2OC[C@@H]2CCOC2)cc1F ZINC000657203695 1024084683 /nfs/dbraw/zinc/08/46/83/1024084683.db2.gz MNFZTDTZXGJMFO-CQSZACIVSA-N -1 0 344.382 3.925 20 0 EHADRM COc1c(-c2cccc(CO[C@@H]3CCOC3)c2)ccc(F)c1C(=O)[O-] ZINC000657203593 1024084758 /nfs/dbraw/zinc/08/47/58/1024084758.db2.gz LCZYRCCBINTYTA-CQSZACIVSA-N -1 0 346.354 3.505 20 0 EHADRM O=C([O-])CCc1cccc(-c2cc(F)ccc2OC[C@@H]2CCOC2)c1 ZINC000657204259 1024086851 /nfs/dbraw/zinc/08/68/51/1024086851.db2.gz MRKOJHQDQPMCBW-OAHLLOKOSA-N -1 0 344.382 3.925 20 0 EHADRM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2O)c1 ZINC000443526895 1024104607 /nfs/dbraw/zinc/10/46/07/1024104607.db2.gz FBHXNRWKSZLTGF-UHFFFAOYSA-N -1 0 347.436 3.693 20 0 EHADRM CO[C@H](C(=O)[O-])c1ccccc1-c1ccc(O[C@H]2CCOC2)c(C)c1 ZINC000657204408 1024105615 /nfs/dbraw/zinc/10/56/15/1024105615.db2.gz KOIOBKIOXKLCMR-KXBFYZLASA-N -1 0 342.391 3.602 20 0 EHADRM Cc1cc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])c(Cl)cc1F ZINC000346030853 1024112840 /nfs/dbraw/zinc/11/28/40/1024112840.db2.gz UBWPTURMJGBBKE-MRXNPFEDSA-N -1 0 347.773 3.612 20 0 EHADRM Cc1nc(=NC(=O)c2ccccc2Sc2ccccc2)s[n-]1 ZINC000443925536 1024115466 /nfs/dbraw/zinc/11/54/66/1024115466.db2.gz ILCSKIYTUKMUKK-UHFFFAOYSA-N -1 0 327.434 3.672 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)NC(C)(C)CCc2ccccc2)s[n-]1 ZINC000522620601 1024122496 /nfs/dbraw/zinc/12/24/96/1024122496.db2.gz LYNUDHMQEGVVIR-UHFFFAOYSA-N -1 0 346.500 3.790 20 0 EHADRM CC(C)Oc1ccc(-c2cncc([C@@H]3OCC[C@H]3C(=O)[O-])c2)cc1 ZINC000657206356 1024128952 /nfs/dbraw/zinc/12/89/52/1024128952.db2.gz QOWBSXWGOJZAJV-MSOLQXFVSA-N -1 0 327.380 3.698 20 0 EHADRM CCc1ccc(CS(=O)(=O)[N-][C@@H]([C@@H](C)CC)C(F)(F)F)cc1 ZINC000443943413 1024141824 /nfs/dbraw/zinc/14/18/24/1024141824.db2.gz ZNFPVHCBPWIZFI-FZMZJTMJSA-N -1 0 337.407 3.645 20 0 EHADRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc2oc(C)nc2c1 ZINC000434634667 1024212255 /nfs/dbraw/zinc/21/22/55/1024212255.db2.gz SRXLCWRFJSLTJB-UHFFFAOYSA-N -1 0 346.408 3.562 20 0 EHADRM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000324127353 1024233060 /nfs/dbraw/zinc/23/30/60/1024233060.db2.gz RHLYOYOKGAOISA-GFCCVEGCSA-N -1 0 347.798 3.682 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)c2n[nH]cc21 ZINC000063635513 1024238313 /nfs/dbraw/zinc/23/83/13/1024238313.db2.gz GKVSLMTVLNWLMK-UHFFFAOYSA-N -1 0 343.452 3.906 20 0 EHADRM O=S(=O)([N-]c1cccc2[nH]ccc21)c1cccc(C(F)(F)F)c1 ZINC000508453899 1024263029 /nfs/dbraw/zinc/26/30/29/1024263029.db2.gz WNUFEZBEAVZGEQ-UHFFFAOYSA-N -1 0 340.326 3.988 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(F)c(C(=O)N3CCCCC3)c2)cc1 ZINC001211879459 1024287946 /nfs/dbraw/zinc/28/79/46/1024287946.db2.gz PJJHKOCJHIVXLZ-UHFFFAOYSA-N -1 0 342.370 3.894 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)[C@H](C)c2ccccc2F)cc1)C(=O)[O-] ZINC000191433992 1024311761 /nfs/dbraw/zinc/31/17/61/1024311761.db2.gz MHZLFWAEUGISHL-CHWSQXEVSA-N -1 0 329.371 3.831 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cnn(CC2CCCC2)c1 ZINC000909516412 1024321213 /nfs/dbraw/zinc/32/12/13/1024321213.db2.gz LVPSGGHPMIYHAA-UHFFFAOYSA-N -1 0 341.411 3.641 20 0 EHADRM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cccc2c1CCCC2 ZINC000522360045 1024341947 /nfs/dbraw/zinc/34/19/47/1024341947.db2.gz VDVBORBXFHLDGX-UHFFFAOYSA-N -1 0 347.484 3.760 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(/C=C\C(=O)N2CCC(CCC(=O)[O-])CC2)o1 ZINC000324311079 1024384984 /nfs/dbraw/zinc/38/49/84/1024384984.db2.gz ZHBDJBXQYSRRGW-JZTMSUKMSA-N -1 0 331.412 3.520 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)N(C)CCCC(=O)[O-])cn2)cc1 ZINC000417742627 1024463814 /nfs/dbraw/zinc/46/38/14/1024463814.db2.gz WFUQHWPIFSMTCJ-UHFFFAOYSA-N -1 0 343.383 3.511 20 0 EHADRM C[C@H]1CCCC[C@H]1C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000425235090 1024473047 /nfs/dbraw/zinc/47/30/47/1024473047.db2.gz CXYCMFDBWSVWGN-CMPLNLGQSA-N -1 0 325.792 3.568 20 0 EHADRM CCCC[C@H](NC(=O)Nc1ccc(F)c(C(F)(F)F)c1)C(=O)[O-] ZINC000320591816 1024476233 /nfs/dbraw/zinc/47/62/33/1024476233.db2.gz ZFXCGFLJEYNLBG-NSHDSACASA-N -1 0 336.285 3.609 20 0 EHADRM CSC[C@@H](C)C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000536458531 1024486208 /nfs/dbraw/zinc/48/62/08/1024486208.db2.gz FZJNZEHWMPOGRD-ZCFIWIBFSA-N -1 0 338.654 3.746 20 0 EHADRM O=C(Nc1c2nsnc2ccc1Cl)c1cccc(Cl)c1[O-] ZINC001126431310 1024535748 /nfs/dbraw/zinc/53/57/48/1024535748.db2.gz YCACVOBHLPTIEH-UHFFFAOYSA-N -1 0 340.191 3.956 20 0 EHADRM Cc1ccc(/C=C2/CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)cc1C ZINC000514572128 1024560571 /nfs/dbraw/zinc/56/05/71/1024560571.db2.gz VGTVNSLSAVKTOS-GDNBJRDFSA-N -1 0 346.386 3.656 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)CCCCCc2cccs2)c1 ZINC000262142143 1024658290 /nfs/dbraw/zinc/65/82/90/1024658290.db2.gz MEORMVJRBUGSQG-UHFFFAOYSA-N -1 0 345.464 3.908 20 0 EHADRM Cc1n[n-]c(=NC(=O)N[C@H](c2ccc(CC(C)C)cc2)C2CC2)s1 ZINC000510025285 1024663292 /nfs/dbraw/zinc/66/32/92/1024663292.db2.gz BLYFODFDCYJOEG-MRXNPFEDSA-N -1 0 344.484 3.740 20 0 EHADRM CCCCOc1ccc(C(=O)N[C@@H](C)CCC(=O)[O-])c(Cl)c1 ZINC000909452274 1024673686 /nfs/dbraw/zinc/67/36/86/1024673686.db2.gz YFVTWZZTQGRBQK-NSHDSACASA-N -1 0 327.808 3.502 20 0 EHADRM C[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)Nc1ccc2[nH]ccc2c1 ZINC000514707190 1024684539 /nfs/dbraw/zinc/68/45/39/1024684539.db2.gz NUJBIVCUNKWJCF-CYBMUJFWSA-N -1 0 337.379 3.848 20 0 EHADRM CCOc1ccc(S(=O)(=O)C=C([O-])c2c(C)cc(C)cc2C)cc1 ZINC000487403565 1024743399 /nfs/dbraw/zinc/74/33/99/1024743399.db2.gz JMMSTEOOYDNRMU-UHFFFAOYSA-N -1 0 346.448 3.667 20 0 EHADRM CCc1ccc([N-]S(=O)(=O)c2cc(COC)ccc2OC)cc1C ZINC000507936253 1024773583 /nfs/dbraw/zinc/77/35/83/1024773583.db2.gz MAMDVXVEQYGODW-UHFFFAOYSA-N -1 0 349.452 3.513 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(Cl)cc2C)cnn1CC(C)C ZINC000346503518 1024781382 /nfs/dbraw/zinc/78/13/82/1024781382.db2.gz PLPBAWCTONOERN-UHFFFAOYSA-N -1 0 341.864 3.610 20 0 EHADRM CCCN(CCC)C(=O)c1cccc(C(=O)N(CCC)CCC)c1[O-] ZINC000281251078 1024787220 /nfs/dbraw/zinc/78/72/20/1024787220.db2.gz UPCWAILGPINNFN-UHFFFAOYSA-N -1 0 348.487 3.917 20 0 EHADRM CCSc1nnc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)s1 ZINC000431321897 1024810873 /nfs/dbraw/zinc/81/08/73/1024810873.db2.gz GBRXBUPMGLQWIX-UHFFFAOYSA-N -1 0 343.499 3.574 20 0 EHADRM Cc1cc(Br)cc([N-]S(=O)(=O)c2ccccc2F)c1 ZINC000096744545 1024847545 /nfs/dbraw/zinc/84/75/45/1024847545.db2.gz FZRKKAFEHFNPJU-UHFFFAOYSA-N -1 0 344.205 3.697 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccc(Cc2ccncc2)cc1 ZINC000536459086 1024866849 /nfs/dbraw/zinc/86/68/49/1024866849.db2.gz JOZGGGYGIOUCMX-UHFFFAOYSA-N -1 0 344.461 3.843 20 0 EHADRM CC(C)C[C@@H](NC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000684715719 1024918331 /nfs/dbraw/zinc/91/83/31/1024918331.db2.gz VBLILRKPPNBQOQ-NOZJJQNGSA-N -1 0 347.242 3.853 20 0 EHADRM Cc1ccccc1CS(=O)(=O)[N-]c1noc2cc(Cl)ccc21 ZINC000514967363 1024922196 /nfs/dbraw/zinc/92/21/96/1024922196.db2.gz XEPPPIQAHLLIQR-UHFFFAOYSA-N -1 0 336.800 3.732 20 0 EHADRM CC[C@@H](C(=O)NCCCCCCCC(=O)[O-])c1ccc(OC)cc1 ZINC000281323114 1024922821 /nfs/dbraw/zinc/92/28/21/1024922821.db2.gz JXKCIHSAJMAZMZ-QGZVFWFLSA-N -1 0 335.444 3.730 20 0 EHADRM O=S(=O)([N-]c1cc(C2CCCCC2)[nH]n1)c1c(F)cccc1F ZINC000474420071 1024931493 /nfs/dbraw/zinc/93/14/93/1024931493.db2.gz ZIYCVMWSVCNCEO-UHFFFAOYSA-N -1 0 341.383 3.536 20 0 EHADRM COc1ccc(C(=O)NCCCCCCCC(=O)[O-])cc1Cl ZINC000909465523 1024933355 /nfs/dbraw/zinc/93/33/55/1024933355.db2.gz CQZHLDBNUISQJG-UHFFFAOYSA-N -1 0 327.808 3.504 20 0 EHADRM O=S(=O)([N-]c1cc(C2CCCCC2)[nH]n1)c1ccccc1Cl ZINC000474424444 1024942455 /nfs/dbraw/zinc/94/24/55/1024942455.db2.gz DCRHMHBDRAVJQU-UHFFFAOYSA-N -1 0 339.848 3.912 20 0 EHADRM O=S(=O)([N-]c1cc(C2CCCCCC2)[nH]n1)c1cccc(F)c1 ZINC000474431629 1024955028 /nfs/dbraw/zinc/95/50/28/1024955028.db2.gz OMDRKHBUEOSWRG-UHFFFAOYSA-N -1 0 337.420 3.787 20 0 EHADRM Fc1ccccc1[C@H]1C[C@H](N=c2[n-]nc(-c3ccccn3)s2)C1 ZINC000435605590 1025029177 /nfs/dbraw/zinc/02/91/77/1025029177.db2.gz IQFDTFKGGBSURV-HAQNSBGRSA-N -1 0 326.400 3.519 20 0 EHADRM COc1ccc(CCCCC(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000537482099 1033255448 /nfs/dbraw/zinc/25/54/48/1033255448.db2.gz OYPJRGAFIHDSMQ-UHFFFAOYSA-N -1 0 347.455 3.511 20 0 EHADRM Cc1cccc([C@@H](NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C(F)(F)F)c1 ZINC000435711860 1025100890 /nfs/dbraw/zinc/10/08/90/1025100890.db2.gz UODJMOPLURSVGP-YRGRVCCFSA-N -1 0 343.345 3.606 20 0 EHADRM O=C([O-])C1CCC(C(=O)N[C@@H](CC(F)(F)F)c2ccccc2)CC1 ZINC000435719828 1025104584 /nfs/dbraw/zinc/10/45/84/1025104584.db2.gz QYBJYLPBOGMDCI-RUXDESIVSA-N -1 0 343.345 3.687 20 0 EHADRM COc1ccc(CN2CC[C@@H](C(=O)[O-])c3ccccc32)cc1Cl ZINC000582053082 1025111895 /nfs/dbraw/zinc/11/18/95/1025111895.db2.gz JANZYWCTLSOLNU-CQSZACIVSA-N -1 0 331.799 3.927 20 0 EHADRM CC[C@H]1CCC[C@@H]1NC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000684738992 1025142954 /nfs/dbraw/zinc/14/29/54/1025142954.db2.gz IZOOKVZZOOEGKO-ZFWWWQNUSA-N -1 0 338.835 3.515 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC000515437490 1025248231 /nfs/dbraw/zinc/24/82/31/1025248231.db2.gz DMZOJRNNMTYSET-HDJSIYSDSA-N -1 0 342.443 3.887 20 0 EHADRM Cc1coc(-c2cc(NC(=O)N[C@H](C(=O)[O-])C(C)(C)C)ccc2C)n1 ZINC000684749503 1025265274 /nfs/dbraw/zinc/26/52/74/1025265274.db2.gz OQVZPBIOSLHVDC-CQSZACIVSA-N -1 0 345.399 3.579 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc3c(c2)CCCC3)C[C@@H]1c1ccccc1 ZINC000262978901 1033275996 /nfs/dbraw/zinc/27/59/96/1033275996.db2.gz UDKACXZTWUWLJR-WOJBJXKFSA-N -1 0 349.430 3.506 20 0 EHADRM CCC(CC)c1n[n-]c(=NCc2c[nH]nc2-c2ccsc2)s1 ZINC000436021839 1025304395 /nfs/dbraw/zinc/30/43/95/1025304395.db2.gz WORCCQSPFQJMAM-UHFFFAOYSA-N -1 0 333.486 3.927 20 0 EHADRM C[C@@H]1CCC[C@@H](C)N1C(=O)N1CCC[C@H]1c1ccc(C(=O)[O-])s1 ZINC000548682950 1025341156 /nfs/dbraw/zinc/34/11/56/1025341156.db2.gz JZUDWXBKJRZUFR-UPJWGTAASA-N -1 0 336.457 3.966 20 0 EHADRM CCO[C@H](CC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)C1=CCCC1 ZINC000431360117 1025353219 /nfs/dbraw/zinc/35/32/19/1025353219.db2.gz VRPWNCIDTWZSDS-OAHLLOKOSA-N -1 0 337.803 3.882 20 0 EHADRM CC(C)[C@H]([N-]S(=O)(=O)Cc1ccc2ccccc2c1)C(F)(F)F ZINC000515557012 1025353197 /nfs/dbraw/zinc/35/31/97/1025353197.db2.gz OZXUUQCPWJGEFT-HNNXBMFYSA-N -1 0 345.386 3.846 20 0 EHADRM Cc1cnc2c(NC(=O)NO[C@@H]3CCCCO3)cccc2c1Cl ZINC000888980001 1025383682 /nfs/dbraw/zinc/38/36/82/1025383682.db2.gz MHLASIFNRPZCAI-CYBMUJFWSA-N -1 0 335.791 3.776 20 0 EHADRM CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000521525750 1025454982 /nfs/dbraw/zinc/45/49/82/1025454982.db2.gz UCUBMBPAHASGMW-UHFFFAOYSA-N -1 0 349.452 3.820 20 0 EHADRM CCc1ccc(CNC(=O)c2cccc(Br)c2[O-])s1 ZINC000521610125 1025524424 /nfs/dbraw/zinc/52/44/24/1025524424.db2.gz BNBWIHNFKGBENP-UHFFFAOYSA-N -1 0 340.242 3.709 20 0 EHADRM COCc1cccc(S(=O)(=O)[N-]c2ccccc2C(C)(F)F)c1 ZINC000451087135 1025527395 /nfs/dbraw/zinc/52/73/95/1025527395.db2.gz OHOJMGKNTZFWJS-UHFFFAOYSA-N -1 0 341.379 3.746 20 0 EHADRM Cc1ccc(F)cc1NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000436273632 1025542693 /nfs/dbraw/zinc/54/26/93/1025542693.db2.gz JFUJCQVUFBOJNF-UHFFFAOYSA-N -1 0 345.761 3.931 20 0 EHADRM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(CCC(C)C)cn2)c1 ZINC000451109714 1025545770 /nfs/dbraw/zinc/54/57/70/1025545770.db2.gz YOFHOSRIHYTZRJ-UHFFFAOYSA-N -1 0 346.452 3.674 20 0 EHADRM CCCCc1cnc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)nc1 ZINC000451100018 1025560532 /nfs/dbraw/zinc/56/05/32/1025560532.db2.gz PAPHTBWLVRHYHB-UHFFFAOYSA-N -1 0 341.383 3.558 20 0 EHADRM Cc1ccnc(NC(=O)c2nn(-c3cccc(C(C)C)c3)cc2[O-])c1 ZINC000607715622 1033291776 /nfs/dbraw/zinc/29/17/76/1033291776.db2.gz DKLDVWBMMWXOPR-UHFFFAOYSA-N -1 0 336.395 3.657 20 0 EHADRM O=C(Nc1ccc(OC(F)(F)F)cc1O)c1cc(F)c([O-])c(F)c1 ZINC000442929393 1025594271 /nfs/dbraw/zinc/59/42/71/1025594271.db2.gz GEELPZPCIIIORG-UHFFFAOYSA-N -1 0 349.211 3.527 20 0 EHADRM C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)[N-]OCC(F)F ZINC000759340587 1025643767 /nfs/dbraw/zinc/64/37/67/1025643767.db2.gz WGJYCJQFGHFOJQ-QMMMGPOBSA-N -1 0 346.786 3.682 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)CCCOc2ccccc2F)c1 ZINC000262394582 1025656181 /nfs/dbraw/zinc/65/61/81/1025656181.db2.gz MTQAICDXQMSDSU-UHFFFAOYSA-N -1 0 345.370 3.641 20 0 EHADRM O=C1CC[C@@H](N=c2[n-]nc(-c3ccccc3Cl)s2)[C@H](C2CC2)N1 ZINC000329217117 1025671722 /nfs/dbraw/zinc/67/17/22/1025671722.db2.gz PPORZFPDNUBGNN-OCCSQVGLSA-N -1 0 348.859 3.590 20 0 EHADRM COc1cccc(Cc2n[n-]c(=NCc3ccc(C(F)F)cc3)o2)c1 ZINC000530369365 1025692197 /nfs/dbraw/zinc/69/21/97/1025692197.db2.gz GPHXXRUFIQVDPY-UHFFFAOYSA-N -1 0 345.349 3.641 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N(Cc2ccccc2)CC(C)C)s1 ZINC000521816870 1025705819 /nfs/dbraw/zinc/70/58/19/1025705819.db2.gz JKEWKWZNFHYDCB-UHFFFAOYSA-N -1 0 346.500 3.849 20 0 EHADRM CSCc1cccc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000521861278 1025737988 /nfs/dbraw/zinc/73/79/88/1025737988.db2.gz JKLWANIYKWVPFF-IBGZPJMESA-N -1 0 343.448 3.921 20 0 EHADRM CCCC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000347256092 1025763495 /nfs/dbraw/zinc/76/34/95/1025763495.db2.gz FGHJPNUJSHHQTK-SCRDCRAPSA-N -1 0 344.238 3.857 20 0 EHADRM C=Cc1ccc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)cc1 ZINC000436476646 1025771314 /nfs/dbraw/zinc/77/13/14/1025771314.db2.gz JVMCYHONYCUMHZ-UHFFFAOYSA-N -1 0 326.377 3.785 20 0 EHADRM C[C@@H](c1ccc(C(=O)N2CCCC[C@H]2CC(=O)[O-])cc1)C(F)(F)F ZINC000909497287 1025781017 /nfs/dbraw/zinc/78/10/17/1025781017.db2.gz CTDDKVDGQNNCOA-FZMZJTMJSA-N -1 0 343.345 3.822 20 0 EHADRM CCCC[C@H](NC(=O)c1ccc(OC2CCCCC2)cc1)C(=O)[O-] ZINC000347264833 1025783664 /nfs/dbraw/zinc/78/36/64/1025783664.db2.gz SVKNLZCFYMXDCV-KRWDZBQOSA-N -1 0 333.428 3.771 20 0 EHADRM O=C(Nc1nnc(-c2cccc(Cl)c2)s1)c1ccc(O)cc1O ZINC000436512205 1025806543 /nfs/dbraw/zinc/80/65/43/1025806543.db2.gz JZPYWBCSPZACJZ-UHFFFAOYSA-N -1 0 347.783 3.522 20 0 EHADRM Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2c(O)cccc2F)cc1 ZINC000436511337 1025807308 /nfs/dbraw/zinc/80/73/08/1025807308.db2.gz IGZIBAHAVDSJBP-BEFAXECRSA-N -1 0 343.398 3.737 20 0 EHADRM CC(C)n1cc2cc(NC(=O)c3cc(F)c([O-])c(F)c3)ccc2n1 ZINC000436522712 1025823384 /nfs/dbraw/zinc/82/33/84/1025823384.db2.gz NEVMFRBOYCVYOG-UHFFFAOYSA-N -1 0 331.322 3.853 20 0 EHADRM C[C@@H]1C[C@@H]1[C@H](NC(=O)C(=O)c1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000436518483 1025847581 /nfs/dbraw/zinc/84/75/81/1025847581.db2.gz YNDWJHNPDISZJR-ZTFRIQLXSA-N -1 0 343.810 3.742 20 0 EHADRM O=C(NCCc1cscn1)c1cc(Cl)c2ccccc2c1[O-] ZINC000436554110 1025861926 /nfs/dbraw/zinc/86/19/26/1025861926.db2.gz HTFMMLFYNGWDLL-UHFFFAOYSA-N -1 0 332.812 3.628 20 0 EHADRM CC1(C)[C@H](NC(=O)c2cc(Cl)c3ccccc3c2[O-])[C@@H]2CCO[C@@H]21 ZINC000436560667 1025886695 /nfs/dbraw/zinc/88/66/95/1025886695.db2.gz GEQPMGDPPKLMJE-VUCTXSBTSA-N -1 0 345.826 3.742 20 0 EHADRM C[C@@H](O)C[C@H](C)CNC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436561215 1025888310 /nfs/dbraw/zinc/88/83/10/1025888310.db2.gz FBQXOVKHCPJNJD-QWHCGFSZSA-N -1 0 347.842 3.849 20 0 EHADRM O=C(c1cc(F)cc(Cl)c1[O-])N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000436564610 1025894409 /nfs/dbraw/zinc/89/44/09/1025894409.db2.gz LAUDLTHIIVGXER-LLVKDONJSA-N -1 0 337.753 3.954 20 0 EHADRM CC(C)(C)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1O ZINC000436569305 1025899918 /nfs/dbraw/zinc/89/99/18/1025899918.db2.gz CIYHJDWJLLHWRH-ZDUSSCGKSA-N -1 0 326.234 3.805 20 0 EHADRM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000451399943 1025927687 /nfs/dbraw/zinc/92/76/87/1025927687.db2.gz MWRKZGNXPREZNP-SNVBAGLBSA-N -1 0 339.310 3.581 20 0 EHADRM O=C(c1ccc(Cl)cc1O)N1CCSC2(CCCCC2)C1 ZINC000436589922 1025927671 /nfs/dbraw/zinc/92/76/71/1025927671.db2.gz QVEISAQDTQJXGZ-UHFFFAOYSA-N -1 0 325.861 3.938 20 0 EHADRM CC[C@H](C)n1ncc(NC(=O)c2cc(F)c([O-])c(Cl)c2)c1C ZINC000436608880 1025941956 /nfs/dbraw/zinc/94/19/56/1025941956.db2.gz RERNITYNOFPAKI-QMMMGPOBSA-N -1 0 325.771 3.913 20 0 EHADRM Cc1cnc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)o1 ZINC000443366673 1025946659 /nfs/dbraw/zinc/94/66/59/1025946659.db2.gz BNBMRMKPJRMLIK-UHFFFAOYSA-N -1 0 341.603 3.744 20 0 EHADRM O=C(NCCc1cc(Cl)cc(Cl)c1)c1cc(F)c([O-])c(F)c1 ZINC000436632907 1025962597 /nfs/dbraw/zinc/96/25/97/1025962597.db2.gz FBWUUDNIVXYUHR-UHFFFAOYSA-N -1 0 346.160 3.950 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(/C=C\C(=O)Nc2ccccc2CC(=O)[O-])o1 ZINC000324558614 1025970930 /nfs/dbraw/zinc/97/09/30/1025970930.db2.gz XVBYPBRTIFCGRU-WGMAJKPRSA-N -1 0 325.364 3.682 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)Cc2cccc(F)c2)c1 ZINC000436649175 1025974031 /nfs/dbraw/zinc/97/40/31/1025974031.db2.gz WFBZUAJBSINMOX-LBPRGKRZSA-N -1 0 329.371 3.941 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCC(=O)[C@H](C)C2(C)C)c1 ZINC000436649869 1025975786 /nfs/dbraw/zinc/97/57/86/1025975786.db2.gz XMFSELBLNGFKDQ-AAEUAGOBSA-N -1 0 331.412 3.565 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)C[C@@H]2CCc3ccccc3C2)c1 ZINC000262414500 1025976101 /nfs/dbraw/zinc/97/61/01/1025976101.db2.gz PXVKXHTYFZGSDM-MRXNPFEDSA-N -1 0 337.419 3.838 20 0 EHADRM Cc1cc2ccccc2n1CC(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000614689313 1025978189 /nfs/dbraw/zinc/97/81/89/1025978189.db2.gz VOIYSFPGPITNES-UHFFFAOYSA-N -1 0 348.431 3.529 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2cn(-c3ccccc3)nc2C)c1 ZINC000436651272 1025977962 /nfs/dbraw/zinc/97/79/62/1025977962.db2.gz VCXXEWQGBZBAHY-UHFFFAOYSA-N -1 0 349.390 3.731 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H]2CCc3ccc(OC)cc32)c1 ZINC000436642923 1025988108 /nfs/dbraw/zinc/98/81/08/1025988108.db2.gz CWXHNPKPZQVLLQ-HNNXBMFYSA-N -1 0 339.391 3.662 20 0 EHADRM O=C(CCSc1ccccc1)N=c1nc(-c2ccccc2)[n-]s1 ZINC000614689039 1025990149 /nfs/dbraw/zinc/99/01/49/1025990149.db2.gz USKXJWFKYXGPPS-UHFFFAOYSA-N -1 0 341.461 3.748 20 0 EHADRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(Cl)c1O ZINC000522957743 1025997590 /nfs/dbraw/zinc/99/75/90/1025997590.db2.gz SXUJRVYDESBCNU-UHFFFAOYSA-N -1 0 332.208 3.808 20 0 EHADRM FC(F)Oc1ccc2ccccc2c1CN=c1[n-]nc2ccccn21 ZINC000475064971 1025997665 /nfs/dbraw/zinc/99/76/65/1025997665.db2.gz BERKBISBPAZNOG-UHFFFAOYSA-N -1 0 340.333 3.518 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000614689388 1025998527 /nfs/dbraw/zinc/99/85/27/1025998527.db2.gz QYMDSOMJJUKKAL-UHFFFAOYSA-N -1 0 344.465 3.768 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccc(-n3cc(C)cn3)cc2)c1 ZINC000436648352 1025999004 /nfs/dbraw/zinc/99/90/04/1025999004.db2.gz TXBKVDRJMBPGGP-UHFFFAOYSA-N -1 0 349.390 3.731 20 0 EHADRM CCc1cccnc1[N-]S(=O)(=O)c1ccc(OCCC(C)C)cc1 ZINC000443413966 1026005143 /nfs/dbraw/zinc/00/51/43/1026005143.db2.gz DSASAPBQIYBIEX-UHFFFAOYSA-N -1 0 348.468 3.870 20 0 EHADRM CC(C)c1cccnc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000443415330 1026006030 /nfs/dbraw/zinc/00/60/30/1026006030.db2.gz HMSNXBIBVLMPAK-UHFFFAOYSA-N -1 0 327.409 3.554 20 0 EHADRM CSC1(c2noc(-c3cccc(Br)c3[O-])n2)CC1 ZINC000896782395 1026006840 /nfs/dbraw/zinc/00/68/40/1026006840.db2.gz TZZXGAQNLLDBND-UHFFFAOYSA-N -1 0 327.203 3.557 20 0 EHADRM Cc1noc2ncc(S(=O)(=O)[N-]c3ccc(C(C)(C)C)cc3)cc12 ZINC000508469735 1026013617 /nfs/dbraw/zinc/01/36/17/1026013617.db2.gz VPMFASSYKWCSBQ-UHFFFAOYSA-N -1 0 345.424 3.630 20 0 EHADRM CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000436674051 1026015541 /nfs/dbraw/zinc/01/55/41/1026015541.db2.gz QWBNYTODOLHAMQ-LLVKDONJSA-N -1 0 346.814 3.826 20 0 EHADRM COc1ccc(CSc2n[n-]c(=Nc3ccccc3F)s2)cn1 ZINC000443421256 1026017790 /nfs/dbraw/zinc/01/77/90/1026017790.db2.gz XMALFISQMFDBEQ-UHFFFAOYSA-N -1 0 348.428 3.539 20 0 EHADRM Cc1cc(Cl)cc(C)c1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[nH]1 ZINC000443444864 1026041884 /nfs/dbraw/zinc/04/18/84/1026041884.db2.gz PONCWISCAMRTCG-XQRVVYSFSA-N -1 0 346.814 3.948 20 0 EHADRM CO[C@H](C)c1nc(=NC(=O)[C@@H](CCc2ccccc2)C(C)C)s[n-]1 ZINC000451501376 1026047480 /nfs/dbraw/zinc/04/74/80/1026047480.db2.gz PICWKDSIBMSNHG-HIFRSBDPSA-N -1 0 347.484 3.511 20 0 EHADRM O=C(Nc1ccn(-c2ccccc2Cl)n1)c1ccc([O-])c(Cl)c1 ZINC000436723151 1026097236 /nfs/dbraw/zinc/09/72/36/1026097236.db2.gz SHGFYVJUWKKNCI-UHFFFAOYSA-N -1 0 348.189 3.559 20 0 EHADRM O=C(NC1CC(C(F)(F)F)C1)c1c([O-])cc(Cl)cc1Cl ZINC000436740186 1026106756 /nfs/dbraw/zinc/10/67/56/1026106756.db2.gz PWPZADXVBXMYFD-UHFFFAOYSA-N -1 0 328.117 3.770 20 0 EHADRM O=C(Nc1cc(F)ccc1OCC1CC1)c1cc(F)c([O-])c(F)c1 ZINC000192177087 1026116070 /nfs/dbraw/zinc/11/60/70/1026116070.db2.gz VPEWWLNMAYSBPD-UHFFFAOYSA-N -1 0 337.297 3.851 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000262424553 1026120928 /nfs/dbraw/zinc/12/09/28/1026120928.db2.gz RKRLCJHCXGUADH-AWEZNQCLSA-N -1 0 333.428 3.770 20 0 EHADRM O=C(Nc1ccc(OCC(F)(F)F)cc1)c1ccc(F)cc1[O-] ZINC000436754380 1026144905 /nfs/dbraw/zinc/14/49/05/1026144905.db2.gz IJMAWZPRWNUIQD-UHFFFAOYSA-N -1 0 329.249 3.725 20 0 EHADRM Cc1cc2cccnc2c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000614731997 1026244035 /nfs/dbraw/zinc/24/40/35/1026244035.db2.gz YZMJRANUKQDUHU-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C)c(F)c1 ZINC000614731835 1026254630 /nfs/dbraw/zinc/25/46/30/1026254630.db2.gz JXGIQVBNSONBQX-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM CCOc1ccc(NC(=O)CC(CC)(CC)C(=O)[O-])cc1Cl ZINC000048382264 1026258990 /nfs/dbraw/zinc/25/89/90/1026258990.db2.gz YWGXGRZGPGKGAE-UHFFFAOYSA-N -1 0 327.808 3.958 20 0 EHADRM CCc1ccc(O)c(NC(=O)c2cccc(Br)c2[O-])c1 ZINC000530828094 1026323024 /nfs/dbraw/zinc/32/30/24/1026323024.db2.gz UHXDMMBDGFWRHO-UHFFFAOYSA-N -1 0 336.185 3.675 20 0 EHADRM CCC[C@@H](NC(=O)Cc1cccc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC000347358694 1026372928 /nfs/dbraw/zinc/37/29/28/1026372928.db2.gz ZQLCOPGCVPXXNR-QGZVFWFLSA-N -1 0 347.361 3.863 20 0 EHADRM CCn1nc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1C1CC1 ZINC000530924670 1026404549 /nfs/dbraw/zinc/40/45/49/1026404549.db2.gz CPCMRHGFQWXMGR-UHFFFAOYSA-N -1 0 333.457 3.705 20 0 EHADRM COc1ccc(CNc2cccc(C(=O)[O-])c2C)cc1OC(F)F ZINC000324888167 1026419243 /nfs/dbraw/zinc/41/92/43/1026419243.db2.gz RTLOIDGAPQSQOL-UHFFFAOYSA-N -1 0 337.322 3.915 20 0 EHADRM O=S(=O)([N-]c1ccccc1O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000530956862 1026444938 /nfs/dbraw/zinc/44/49/38/1026444938.db2.gz HSARHLZDNJESPI-UHFFFAOYSA-N -1 0 337.400 3.764 20 0 EHADRM CCC(C)(C)N(C)C(=O)NCCC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000684895781 1026450025 /nfs/dbraw/zinc/45/00/25/1026450025.db2.gz IAXUOUBUYDDINN-INIZCTEOSA-N -1 0 334.460 3.540 20 0 EHADRM CC[C@](C)(NC(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12)C(=O)[O-] ZINC000431433440 1026463463 /nfs/dbraw/zinc/46/34/63/1026463463.db2.gz MJOWNWXNVSCHDM-FQEVSTJZSA-N -1 0 340.423 3.712 20 0 EHADRM CC(C)COc1cccc([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000511149710 1026497112 /nfs/dbraw/zinc/49/71/12/1026497112.db2.gz JNHSLSBPRWLCIO-UHFFFAOYSA-N -1 0 341.379 3.800 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)CC1(C(=O)[O-])CCC1 ZINC000262482160 1026564937 /nfs/dbraw/zinc/56/49/37/1026564937.db2.gz IDVOZHWNRYWUTE-SNVBAGLBSA-N -1 0 344.238 3.686 20 0 EHADRM Cc1oc(CN(C)C(=O)CCCc2ccc(C)cc2)cc1C(=O)[O-] ZINC000262494881 1026643931 /nfs/dbraw/zinc/64/39/31/1026643931.db2.gz MPTBIEPEZFYETH-UHFFFAOYSA-N -1 0 329.396 3.576 20 0 EHADRM CC(C)(CC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21)CC(F)(F)F ZINC000909582229 1026701339 /nfs/dbraw/zinc/70/13/39/1026701339.db2.gz UXKVCYLHXOXPSF-LLVKDONJSA-N -1 0 329.318 3.570 20 0 EHADRM Cc1cccc(CN(C)C(=O)N=c2nc(-c3ccccc3)[n-]s2)c1 ZINC000531342009 1026828315 /nfs/dbraw/zinc/82/83/15/1026828315.db2.gz GIASKYKHCDXSAD-UHFFFAOYSA-N -1 0 338.436 3.599 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)c2ccn(C3CCCCC3)n2)s1 ZINC000548750493 1026904368 /nfs/dbraw/zinc/90/43/68/1026904368.db2.gz DEHCJKDEYZDULU-UHFFFAOYSA-N -1 0 347.488 3.818 20 0 EHADRM Cc1cc(-c2ccc(F)cc2)ccc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000563436980 1026945931 /nfs/dbraw/zinc/94/59/31/1026945931.db2.gz CBOIJMBNMPHLJN-INIZCTEOSA-N -1 0 341.382 3.738 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cccc3c2ccn3C)c(F)cc1F ZINC000531479103 1026949030 /nfs/dbraw/zinc/94/90/30/1026949030.db2.gz ALHICVVWXXUJOU-UHFFFAOYSA-N -1 0 336.363 3.566 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])C(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000634828546 1027014399 /nfs/dbraw/zinc/01/43/99/1027014399.db2.gz YWUWEQSZYCBSRZ-DOMZBBRYSA-N -1 0 349.324 3.826 20 0 EHADRM CO[C@H](CNC(=O)c1ccc([O-])c(Cl)c1)c1ccc(Cl)cc1 ZINC000075317589 1027126228 /nfs/dbraw/zinc/12/62/28/1027126228.db2.gz ZMMKQVWJJMJKBT-OAHLLOKOSA-N -1 0 340.206 3.817 20 0 EHADRM Cc1nc([N-]S(=O)(=O)c2cccc3ccccc32)cc(C2CC2)n1 ZINC000127450460 1027311338 /nfs/dbraw/zinc/31/13/38/1027311338.db2.gz LPGTTZCLOUWECQ-UHFFFAOYSA-N -1 0 339.420 3.616 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(C)c2)c(F)c1 ZINC000303335401 1027533374 /nfs/dbraw/zinc/53/33/74/1027533374.db2.gz DMOYEWJWNSYOHF-UHFFFAOYSA-N -1 0 348.443 3.844 20 0 EHADRM Cc1n[n-]c(=NC(=O)N2CCCC[C@H]2c2ccc(Cl)cc2)s1 ZINC000454230985 1027537792 /nfs/dbraw/zinc/53/77/92/1027537792.db2.gz JADGUWKRWMABFC-ZDUSSCGKSA-N -1 0 336.848 3.681 20 0 EHADRM Cc1cc(NC(=O)c2ccc(OCC(C)C)cc2)ccc1C(=O)[O-] ZINC000392089694 1027574439 /nfs/dbraw/zinc/57/44/39/1027574439.db2.gz SZCUZQDTCGZHDM-UHFFFAOYSA-N -1 0 327.380 3.980 20 0 EHADRM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc2cccnc21 ZINC000614770810 1027626593 /nfs/dbraw/zinc/62/65/93/1027626593.db2.gz XSCIUISSHKKSEF-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM C[C@@H](CC(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000237518216 1027644070 /nfs/dbraw/zinc/64/40/70/1027644070.db2.gz IGIIBEOWZGDQGU-LEWSCRJBSA-N -1 0 343.345 3.569 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccsc2)c1Br ZINC000152465653 1027657613 /nfs/dbraw/zinc/65/76/13/1027657613.db2.gz WQJQIYYPPVPYCZ-UHFFFAOYSA-N -1 0 332.244 3.620 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000422581454 1027806328 /nfs/dbraw/zinc/80/63/28/1027806328.db2.gz PXTKIFVGCWYIJY-XJKSGUPXSA-N -1 0 335.403 3.583 20 0 EHADRM CCC[C@H](CC1CCCCC1)C(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000582812390 1027808862 /nfs/dbraw/zinc/80/88/62/1027808862.db2.gz YNYJGVZMGNYBQR-MRXNPFEDSA-N -1 0 348.491 3.603 20 0 EHADRM CCCC[C@H](C)N(CCCC)C(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000422646246 1027840509 /nfs/dbraw/zinc/84/05/09/1027840509.db2.gz YMDKPVKVLOGURV-AWEZNQCLSA-N -1 0 348.443 3.531 20 0 EHADRM O=c1nc(CN2CCC[C@@H](CC(F)(F)F)C2)[n-]c2ccsc21 ZINC000420956400 1027922721 /nfs/dbraw/zinc/92/27/21/1027922721.db2.gz YCENKNAUTOMWOM-VIFPVBQESA-N -1 0 331.363 3.561 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CC2(C(=O)[O-])CCC2)C2CC2)o1 ZINC000262550053 1027943732 /nfs/dbraw/zinc/94/37/32/1027943732.db2.gz SWAHWPDWSPIVSS-DOMZBBRYSA-N -1 0 331.412 3.539 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1C(=O)[O-] ZINC000582846205 1027980922 /nfs/dbraw/zinc/98/09/22/1027980922.db2.gz WVPTVFUYQZBRMV-PSASIEDQSA-N -1 0 331.199 3.568 20 0 EHADRM COc1ccc2nc(/C=C/c3scnc3C)cc(C(=O)[O-])c2c1 ZINC000078694526 1028099982 /nfs/dbraw/zinc/09/99/82/1028099982.db2.gz AUABKEBFUGZLRL-ZZXKWVIFSA-N -1 0 326.377 3.877 20 0 EHADRM Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])sc1-c1ccc(F)cc1 ZINC000237760970 1028106033 /nfs/dbraw/zinc/10/60/33/1028106033.db2.gz TVQWZSXRWOPGEA-UONOGXRCSA-N -1 0 347.411 3.846 20 0 EHADRM C[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)c1noc(-c2ccccc2)n1 ZINC000134354245 1028116067 /nfs/dbraw/zinc/11/60/67/1028116067.db2.gz DABLNFVZWJXDIB-SNVBAGLBSA-N -1 0 343.770 3.587 20 0 EHADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CC[C@H](C)C[C@@H](C)C2)n1 ZINC000502411566 1028184956 /nfs/dbraw/zinc/18/49/56/1028184956.db2.gz AFMXVLVCORVGDG-QWHCGFSZSA-N -1 0 345.418 3.534 20 0 EHADRM O=C([O-])c1cc(Cl)cc(Nc2cnccc2Br)c1 ZINC001211960954 1028193644 /nfs/dbraw/zinc/19/36/44/1028193644.db2.gz PNHUPHSMQCOWTR-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM Nc1cc(C(F)(F)F)cnc1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211961016 1028194629 /nfs/dbraw/zinc/19/46/29/1028194629.db2.gz SCXOPIIZHDPQFM-UHFFFAOYSA-N -1 0 331.681 3.778 20 0 EHADRM COc1ccc(-n2nccc2Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC001211962497 1028216307 /nfs/dbraw/zinc/21/63/07/1028216307.db2.gz GCZCFNBECJZSCJ-UHFFFAOYSA-N -1 0 343.770 3.976 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ccc3cccc(Cl)c3n2)cc1 ZINC000502493373 1028255673 /nfs/dbraw/zinc/25/56/73/1028255673.db2.gz KFXIXDDHDMGWIA-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM Cc1cc(Br)cc(C)c1NC(=O)C[C@@H](C)CC(=O)[O-] ZINC000061834689 1028260819 /nfs/dbraw/zinc/26/08/19/1028260819.db2.gz IHUQKEACJYSMOA-MRVPVSSYSA-N -1 0 328.206 3.505 20 0 EHADRM CNc1ccc(C(=O)OC)cc1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211964881 1028265149 /nfs/dbraw/zinc/26/51/49/1028265149.db2.gz DQLCMTBMZXRAPO-UHFFFAOYSA-N -1 0 334.759 3.610 20 0 EHADRM [O-]c1nnn(-c2ccccc2)c1CN1CCC[C@@H]1/C=C\c1ccccc1 ZINC000504019343 1028341601 /nfs/dbraw/zinc/34/16/01/1028341601.db2.gz GKKHBMUUCMGBHI-SWNWVQGVSA-N -1 0 346.434 3.651 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N(C)[C@@H](C)Cc2ccccc2C)s1 ZINC000444844308 1028344626 /nfs/dbraw/zinc/34/46/26/1028344626.db2.gz FAUGPHSZKCPIKX-AWEZNQCLSA-N -1 0 346.500 3.706 20 0 EHADRM COc1cc(Nc2cccc(C(=O)[O-])c2C)cnc1Br ZINC001216657719 1028357840 /nfs/dbraw/zinc/35/78/40/1028357840.db2.gz JNIZRCKEFPQZAI-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM CCOc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000614863693 1028359777 /nfs/dbraw/zinc/35/97/77/1028359777.db2.gz ZEVVULFMVRSPOX-UHFFFAOYSA-N -1 0 329.780 3.679 20 0 EHADRM COc1ccc(S(=O)(=O)[N-]c2ccccc2OCC(C)C)c(C)c1 ZINC000614863136 1028434638 /nfs/dbraw/zinc/43/46/38/1028434638.db2.gz PFOUCWRWMZZANQ-UHFFFAOYSA-N -1 0 349.452 3.839 20 0 EHADRM CC1(C)NC(=O)c2cc(Nc3cc(Cl)cc(C(=O)[O-])c3)ccc21 ZINC001211969693 1028437910 /nfs/dbraw/zinc/43/79/10/1028437910.db2.gz VVCZDPUSBPPHSK-UHFFFAOYSA-N -1 0 330.771 3.760 20 0 EHADRM CCCOc1ccccc1NC(=O)N=c1[n-]nc(CC(C)C)s1 ZINC000502660138 1028504781 /nfs/dbraw/zinc/50/47/81/1028504781.db2.gz CDAACWQBFCBYIC-UHFFFAOYSA-N -1 0 334.445 3.591 20 0 EHADRM Cc1csc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)n1 ZINC000194541911 1028539982 /nfs/dbraw/zinc/53/99/82/1028539982.db2.gz KMVFDTMIGULSDI-UHFFFAOYSA-N -1 0 337.253 3.700 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000236678112 1028562621 /nfs/dbraw/zinc/56/26/21/1028562621.db2.gz LLTNDWNLADFXPZ-NEPJUHHUSA-N -1 0 344.238 3.666 20 0 EHADRM CC(C)C[C@H](C)CC(=O)Nc1ccccc1-n1ccc(C(=O)[O-])n1 ZINC000236736032 1028577266 /nfs/dbraw/zinc/57/72/66/1028577266.db2.gz ANOGOYOMZDHKRH-ZDUSSCGKSA-N -1 0 329.400 3.581 20 0 EHADRM CC(C)CCOc1ccc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000236780503 1028580897 /nfs/dbraw/zinc/58/08/97/1028580897.db2.gz NYTRSLXCDNSLBY-KRWDZBQOSA-N -1 0 347.455 3.971 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)c2sccc2C(C)C)sc1C(=O)[O-] ZINC000236814676 1028591350 /nfs/dbraw/zinc/59/13/50/1028591350.db2.gz JKPLZYSCUCZUQL-SECBINFHSA-N -1 0 338.454 3.826 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)c1cc(C)n(C2CCCCC2)c1C)C(=O)[O-] ZINC000237025260 1028616208 /nfs/dbraw/zinc/61/62/08/1028616208.db2.gz CHVOXJITARLWFX-PXAZEXFGSA-N -1 0 334.460 3.839 20 0 EHADRM CCN(C(=O)c1ccc(C(=O)[O-])nc1)[C@H](C)c1cc2ccccc2o1 ZINC000237044834 1028616958 /nfs/dbraw/zinc/61/69/58/1028616958.db2.gz AWXXQZXPANSOQT-GFCCVEGCSA-N -1 0 338.363 3.749 20 0 EHADRM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000237254377 1028645265 /nfs/dbraw/zinc/64/52/65/1028645265.db2.gz DUKZWYVDVPRPRR-UHFFFAOYSA-N -1 0 338.190 3.964 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)c1cc(Cl)ccc1F)C(=O)[O-] ZINC000237405445 1028650134 /nfs/dbraw/zinc/65/01/34/1028650134.db2.gz BBBRVYNHVJVWRT-GFCCVEGCSA-N -1 0 349.789 3.842 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000237542088 1028653532 /nfs/dbraw/zinc/65/35/32/1028653532.db2.gz OOWLFEKGJAAPCZ-JTQLQIEISA-N -1 0 344.392 3.539 20 0 EHADRM Cc1cc([C@H](C)NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])c(C)o1 ZINC000237634960 1028660004 /nfs/dbraw/zinc/66/00/04/1028660004.db2.gz BJEXYPNORHMIEI-WCQYABFASA-N -1 0 347.436 3.953 20 0 EHADRM Cc1cccc(OCCCC(=O)Nc2cc(C(=O)[O-])ccc2F)c1 ZINC000237706949 1028662975 /nfs/dbraw/zinc/66/29/75/1028662975.db2.gz QFROAOSIQXPUEO-UHFFFAOYSA-N -1 0 331.343 3.630 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c1 ZINC000238033389 1028672833 /nfs/dbraw/zinc/67/28/33/1028672833.db2.gz DGKQMOSNEAPGSX-LSDHHAIUSA-N -1 0 345.782 3.546 20 0 EHADRM Cc1ccccc1CN(C(=O)N=c1nc(C(C)(C)C)[n-]s1)C1CC1 ZINC000523927494 1028719783 /nfs/dbraw/zinc/71/97/83/1028719783.db2.gz BTWUEXAUBJSCNR-UHFFFAOYSA-N -1 0 344.484 3.762 20 0 EHADRM CC(C)(CNC(=O)c1c([O-])cc(Cl)cc1Cl)c1ccncc1 ZINC000091834944 1028757838 /nfs/dbraw/zinc/75/78/38/1028757838.db2.gz CSDCNUPZQLOYDV-UHFFFAOYSA-N -1 0 339.222 3.802 20 0 EHADRM CC[C@H](NC(=O)c1cccc(C(F)(F)F)c1[O-])c1nccs1 ZINC000583449710 1028887241 /nfs/dbraw/zinc/88/72/41/1028887241.db2.gz TZVDSDISAKRJQR-JTQLQIEISA-N -1 0 330.331 3.749 20 0 EHADRM CC1(C)CN(C(=O)N=c2nc(-c3ccsc3)[n-]s2)[C@@H]2CCC[C@H]21 ZINC000583127308 1028917653 /nfs/dbraw/zinc/91/76/53/1028917653.db2.gz ZRZGGBHIVOTQLT-VXGBXAGGSA-N -1 0 348.497 3.731 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N=c3nc(C(C)(C)C)[n-]s3)cc2c1C ZINC000524200260 1028980374 /nfs/dbraw/zinc/98/03/74/1028980374.db2.gz FJDVTADTJFARPE-UHFFFAOYSA-N -1 0 328.441 3.608 20 0 EHADRM CCN(CCOc1ccccc1C)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000421968710 1028995713 /nfs/dbraw/zinc/99/57/13/1028995713.db2.gz OCWWSHPIPVURLH-UHFFFAOYSA-N -1 0 335.350 3.520 20 0 EHADRM CC(C)(CCNC(=O)N1CCCCC[C@@H]1c1ccccc1)C(=O)[O-] ZINC000424394047 1029032382 /nfs/dbraw/zinc/03/23/82/1029032382.db2.gz CDGQMPBEELGOPG-MRXNPFEDSA-N -1 0 332.444 3.814 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc(C(=O)C2CCC2)cc1)C(=O)[O-] ZINC000424383423 1029039733 /nfs/dbraw/zinc/03/97/33/1029039733.db2.gz COLSTKJDDBFXLW-UHFFFAOYSA-N -1 0 346.427 3.682 20 0 EHADRM CC(C)(CCNC(=O)N1CC[C@](C)(CCc2ccccc2)C1)C(=O)[O-] ZINC000424401574 1029049919 /nfs/dbraw/zinc/04/99/19/1029049919.db2.gz DCGPIGXFNTZVPV-FQEVSTJZSA-N -1 0 346.471 3.542 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NCCC(C)(C)C(=O)[O-])o1 ZINC000424405152 1029053929 /nfs/dbraw/zinc/05/39/29/1029053929.db2.gz NSXBANXZJUJHPL-JSGCOSHPSA-N -1 0 336.432 3.572 20 0 EHADRM CCC(CC)(CNC(=O)N1CCCCC[C@@H]1c1ccncc1)C(=O)[O-] ZINC000424409594 1029054615 /nfs/dbraw/zinc/05/46/15/1029054615.db2.gz GYPWKKIYPLLAQS-MRXNPFEDSA-N -1 0 347.459 3.599 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)NC[C@@H](CC(C)C)C(=O)[O-])s1 ZINC000424429247 1029071625 /nfs/dbraw/zinc/07/16/25/1029071625.db2.gz ZINYTPRBVPXGOL-ZIAGYGMSSA-N -1 0 338.473 3.650 20 0 EHADRM C[C@@H](SCCC[N-]C(=O)C(F)(F)F)c1c(F)cccc1F ZINC000178796834 1029077291 /nfs/dbraw/zinc/07/72/91/1029077291.db2.gz LAWGWYTUUKPQJU-MRVPVSSYSA-N -1 0 327.318 3.828 20 0 EHADRM COc1ccccc1CN(C(=O)c1cc(SC)ccc1O)C1CC1 ZINC000666801984 1029384144 /nfs/dbraw/zinc/38/41/44/1029384144.db2.gz VEXGUBWYAKCLIP-UHFFFAOYSA-N -1 0 343.448 3.928 20 0 EHADRM CCc1oc(C(=O)N2C[C@@H](c3ccccc3)C[C@H]2C)cc1C(=O)[O-] ZINC000261601653 1029458043 /nfs/dbraw/zinc/45/80/43/1029458043.db2.gz BVZYZOBJSZBGAJ-OCCSQVGLSA-N -1 0 327.380 3.558 20 0 EHADRM CCc1oc(C(=O)N2CCC[C@@H]2c2ccc(C)cc2)cc1C(=O)[O-] ZINC000261623076 1029477843 /nfs/dbraw/zinc/47/78/43/1029477843.db2.gz IDMSDCNVOJACQX-OAHLLOKOSA-N -1 0 327.380 3.826 20 0 EHADRM O=S(=O)([N-]c1ccccc1OCC1CC1)c1cccc(Cl)c1 ZINC000524853017 1029566668 /nfs/dbraw/zinc/56/66/68/1029566668.db2.gz JQSUMPIASLIOJL-UHFFFAOYSA-N -1 0 337.828 3.930 20 0 EHADRM CC[C@H](C)n1ncc(C(=O)Nc2cc(C(C)=O)ccc2[O-])c1C1CC1 ZINC000272703810 1029573132 /nfs/dbraw/zinc/57/31/32/1029573132.db2.gz SUWVCYFPYJCYDM-NSHDSACASA-N -1 0 341.411 3.892 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)CCC1 ZINC000262711225 1029625921 /nfs/dbraw/zinc/62/59/21/1029625921.db2.gz CPSDBYFKIAXMPF-UHFFFAOYSA-N -1 0 344.342 3.597 20 0 EHADRM C[C@H](NC(=O)CC1(C(=O)[O-])CCC1)c1ccc(-c2ccncc2)cc1 ZINC000262862380 1029646127 /nfs/dbraw/zinc/64/61/27/1029646127.db2.gz UGBTYAKFWKWDLE-AWEZNQCLSA-N -1 0 338.407 3.571 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)N[C@](C)(CC(=O)[O-])C(C)C ZINC000262882451 1029647311 /nfs/dbraw/zinc/64/73/11/1029647311.db2.gz GXJWEDUUBAJFLB-QGZVFWFLSA-N -1 0 337.416 3.968 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000262882343 1029648261 /nfs/dbraw/zinc/64/82/61/1029648261.db2.gz GVYGPSXAJSVNAO-XEGUGMAKSA-N -1 0 347.411 3.674 20 0 EHADRM COc1cc(NC(=O)CCc2ccc(C)cc2C)ccc1C(=O)[O-] ZINC000262939965 1029652229 /nfs/dbraw/zinc/65/22/29/1029652229.db2.gz MBJNDFJCOLGNSN-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM Cc1ccc(-c2ccc(C)c(NC(=O)N3CCC[C@@H](C(=O)[O-])C3)c2)o1 ZINC000262990566 1029653976 /nfs/dbraw/zinc/65/39/76/1029653976.db2.gz DKZYHPLTZHVSJZ-OAHLLOKOSA-N -1 0 342.395 3.892 20 0 EHADRM Cc1cccc(C)c1C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263037729 1029659621 /nfs/dbraw/zinc/65/96/21/1029659621.db2.gz DHKDQQLWWADAFR-QGZVFWFLSA-N -1 0 325.408 3.509 20 0 EHADRM Cc1c2ccc(F)cc2sc1C(=O)N1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000263038597 1029659725 /nfs/dbraw/zinc/65/97/25/1029659725.db2.gz RIINXMQUFQABDK-SFHVURJKSA-N -1 0 349.427 3.922 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc3c(ccc4ccccc34)[nH]2)[C@@H](C(=O)[O-])C1 ZINC000263042707 1029660744 /nfs/dbraw/zinc/66/07/44/1029660744.db2.gz PJJQXAWSJMYONA-KPZWWZAWSA-N -1 0 336.391 3.646 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)CC(C)(C)C(F)(F)F)c1ccccc1 ZINC000263097015 1029665885 /nfs/dbraw/zinc/66/58/85/1029665885.db2.gz ILIXPZSYBHNVNP-GWCFXTLKSA-N -1 0 331.334 3.543 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)CC(C)(C)C(F)(F)F)c1ccccc1 ZINC000263097050 1029666170 /nfs/dbraw/zinc/66/61/70/1029666170.db2.gz ILIXPZSYBHNVNP-ZWNOBZJWSA-N -1 0 331.334 3.543 20 0 EHADRM CC(C)Sc1ccccc1NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263179651 1029671441 /nfs/dbraw/zinc/67/14/41/1029671441.db2.gz UBPVJJAPQQDDDE-CHWSQXEVSA-N -1 0 336.457 3.762 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000263220397 1029675628 /nfs/dbraw/zinc/67/56/28/1029675628.db2.gz YQCRNAVUZOTXEM-CABCVRRESA-N -1 0 333.428 3.581 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2ccc(C3CCC3)cc2)cc1F ZINC000263239907 1029678546 /nfs/dbraw/zinc/67/85/46/1029678546.db2.gz RLPGBRPHWMKMQQ-UHFFFAOYSA-N -1 0 327.355 3.973 20 0 EHADRM CC(C)c1ccc(CN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)C2CC2)cc1 ZINC000263291444 1029684350 /nfs/dbraw/zinc/68/43/50/1029684350.db2.gz MFRLCVXXFAUXBL-SJORKVTESA-N -1 0 329.440 3.802 20 0 EHADRM CN(C(=O)NCCC(=O)[O-])[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000263332813 1029688860 /nfs/dbraw/zinc/68/88/60/1029688860.db2.gz CSEWHOXLVFJADP-INIZCTEOSA-N -1 0 338.835 3.687 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000263333374 1029689362 /nfs/dbraw/zinc/68/93/62/1029689362.db2.gz MAAFUGUVYIQULM-BXUZGUMPSA-N -1 0 347.411 3.880 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1 ZINC000263383203 1029693100 /nfs/dbraw/zinc/69/31/00/1029693100.db2.gz XQNVBCDIKCMBHL-HIFRSBDPSA-N -1 0 343.448 3.906 20 0 EHADRM CC(C)c1ccc(CN(C(=O)c2cc(C(=O)[O-])ccn2)C2CC2)cc1 ZINC000263441498 1029697830 /nfs/dbraw/zinc/69/78/30/1029697830.db2.gz XGDDFWGFKVDBGV-UHFFFAOYSA-N -1 0 338.407 3.708 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)no1 ZINC000446805224 1029804783 /nfs/dbraw/zinc/80/47/83/1029804783.db2.gz BHVPSTJMFWOODU-UHFFFAOYSA-N -1 0 346.811 3.707 20 0 EHADRM O=S(=O)(Cc1c(F)cccc1F)[N-]c1nc2ccsc2s1 ZINC000446824930 1029811054 /nfs/dbraw/zinc/81/10/54/1029811054.db2.gz ANTARULIFBYFGX-UHFFFAOYSA-N -1 0 346.405 3.578 20 0 EHADRM CCN(CC(C)(C)C)C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000428667741 1029876783 /nfs/dbraw/zinc/87/67/83/1029876783.db2.gz WYFMNQJNNGDLQH-UHFFFAOYSA-N -1 0 335.835 3.740 20 0 EHADRM COc1cc(CN=c2[n-]nc(Cc3cccc(F)c3)s2)ccc1C ZINC000446972371 1029876906 /nfs/dbraw/zinc/87/69/06/1029876906.db2.gz UANWOIVDUYRPNK-UHFFFAOYSA-N -1 0 343.427 3.619 20 0 EHADRM CC[C@H](CCO)CN=c1[n-]nc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000447054792 1029893762 /nfs/dbraw/zinc/89/37/62/1029893762.db2.gz BRMIVHWYOYPCLL-SECBINFHSA-N -1 0 346.283 3.754 20 0 EHADRM CO[C@@H](C)c1nc(=Nc2ccccc2COc2ccccc2)s[n-]1 ZINC000509641098 1029957278 /nfs/dbraw/zinc/95/72/78/1029957278.db2.gz RCSQADHDDSGGCE-ZDUSSCGKSA-N -1 0 341.436 3.990 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)c1scnc1C1CCCC1)C(=O)[O-] ZINC000455799935 1029981515 /nfs/dbraw/zinc/98/15/15/1029981515.db2.gz SVJYYFBYVAQPTR-LBPRGKRZSA-N -1 0 338.473 3.810 20 0 EHADRM C[C@H](CCCO)N=c1[n-]nc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000447204033 1030023349 /nfs/dbraw/zinc/02/33/49/1030023349.db2.gz PQIOURSCROTYHF-MRVPVSSYSA-N -1 0 332.256 3.507 20 0 EHADRM COc1ccccc1O[C@@H](C)CN=c1[n-]nc(-c2ccccc2)s1 ZINC000525704870 1030043140 /nfs/dbraw/zinc/04/31/40/1030043140.db2.gz YEHVZAWKIBBZFN-ZDUSSCGKSA-N -1 0 341.436 3.515 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ncc(-c3ccccc3)cn2)sc1C ZINC000481870428 1030076119 /nfs/dbraw/zinc/07/61/19/1030076119.db2.gz GBWVNQLZMZMTLP-UHFFFAOYSA-N -1 0 345.449 3.623 20 0 EHADRM CC(C)CN(C)C(=O)N=c1[n-]nc(-c2c(F)cccc2Cl)s1 ZINC000481893897 1030114469 /nfs/dbraw/zinc/11/44/69/1030114469.db2.gz NHSSJXNNACBWKJ-UHFFFAOYSA-N -1 0 342.827 3.539 20 0 EHADRM Cc1sc([C@H](C)NCc2cc(Cl)ccc2F)nc1C(=O)[O-] ZINC000900075457 1030119890 /nfs/dbraw/zinc/11/98/90/1030119890.db2.gz URHXLCZNYBWJHC-ZETCQYMHSA-N -1 0 328.796 3.793 20 0 EHADRM CC[C@@H]1CCN(C(=O)N=c2[n-]nc(-c3cc(C)cc(C)c3)s2)C1 ZINC000481944064 1030124507 /nfs/dbraw/zinc/12/45/07/1030124507.db2.gz GKBGJHDAVCSQIK-CYBMUJFWSA-N -1 0 330.457 3.508 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C)s2)C1(C)C ZINC000042317067 1030138177 /nfs/dbraw/zinc/13/81/77/1030138177.db2.gz CGSMOWUOMJCVGN-DGCLKSJQSA-N -1 0 327.471 3.940 20 0 EHADRM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000525835630 1030162215 /nfs/dbraw/zinc/16/22/15/1030162215.db2.gz YTUMUKQKRJBWPC-NSHDSACASA-N -1 0 335.347 3.688 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cccc(OC3CCCC3)c2)CCCCC1 ZINC000532004523 1030220747 /nfs/dbraw/zinc/22/07/47/1030220747.db2.gz KECCHRFSTPCOQI-UHFFFAOYSA-N -1 0 345.439 3.915 20 0 EHADRM CCN(C(=O)Nc1cc2ccccc2c(OC)c1)C(C)(C)C(=O)[O-] ZINC000900320067 1030223673 /nfs/dbraw/zinc/22/36/73/1030223673.db2.gz SHKXYKUXLGZDJE-UHFFFAOYSA-N -1 0 330.384 3.565 20 0 EHADRM O=C([O-])CC1(C(=O)Nc2ccc(Cl)c(Br)c2)CCC1 ZINC000567894556 1030249153 /nfs/dbraw/zinc/24/91/53/1030249153.db2.gz CTWGCHCIJPSIQJ-UHFFFAOYSA-N -1 0 346.608 3.686 20 0 EHADRM CCCCS(=O)(=O)[N-]C(=O)[C@@H](C)Sc1ccc(Cl)cc1 ZINC000042344323 1030252110 /nfs/dbraw/zinc/25/21/10/1030252110.db2.gz IHJPBJJOLMJPRF-SNVBAGLBSA-N -1 0 335.878 3.907 20 0 EHADRM Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000126924701 1030296379 /nfs/dbraw/zinc/29/63/79/1030296379.db2.gz FNYUYLQPJVRDSA-UHFFFAOYSA-N -1 0 326.805 3.623 20 0 EHADRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc2ccncc21 ZINC000532037443 1030300769 /nfs/dbraw/zinc/30/07/69/1030300769.db2.gz WNIZSJQWEZJLGC-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)c2cc(C)cc(F)c2)s[n-]1 ZINC000472295978 1030337505 /nfs/dbraw/zinc/33/75/05/1030337505.db2.gz SKBYRKDODXYUFQ-UHFFFAOYSA-N -1 0 333.413 3.697 20 0 EHADRM CCOC(=O)C1(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)CCCC1 ZINC000567949236 1030386800 /nfs/dbraw/zinc/38/68/00/1030386800.db2.gz WRGUWZURSBSDSE-UHFFFAOYSA-N -1 0 346.210 3.761 20 0 EHADRM COc1cc(C)ccc1-c1ccc([S@@](=O)CCCC(=O)[O-])cc1 ZINC000600965968 1030401240 /nfs/dbraw/zinc/40/12/40/1030401240.db2.gz YWHODRAUUFJESG-QHCPKHFHSA-N -1 0 332.421 3.643 20 0 EHADRM CCCN(C(=O)Nc1ncc(-c2ccccc2)s1)[C@@H](CC)C(=O)[O-] ZINC000583671107 1030411815 /nfs/dbraw/zinc/41/18/15/1030411815.db2.gz DRQSFGUMRQUVLU-ZDUSSCGKSA-N -1 0 347.440 3.917 20 0 EHADRM Cc1ccc(-n2cc(N=c3[n-]nc(-c4ccccn4)s3)cn2)c(C)c1 ZINC000583714917 1030531372 /nfs/dbraw/zinc/53/13/72/1030531372.db2.gz KIICVYSHOVNZNK-UHFFFAOYSA-N -1 0 348.435 3.568 20 0 EHADRM Cc1cc(=NC(=O)N[C@H]2CCSc3ccc(Cl)cc32)[n-]nc1C ZINC000532324829 1030553181 /nfs/dbraw/zinc/55/31/81/1030553181.db2.gz ZZXAXQFUCYCXOK-ZDUSSCGKSA-N -1 0 348.859 3.527 20 0 EHADRM Cc1cc(NC(=O)c2ccc([O-])c(Cl)c2)n(Cc2ccccc2)n1 ZINC000193671636 1030600131 /nfs/dbraw/zinc/60/01/31/1030600131.db2.gz HSTBLSYZJAOQKB-UHFFFAOYSA-N -1 0 341.798 3.851 20 0 EHADRM CCOc1c(Cl)cccc1CN=c1[n-]nc(SCC)s1 ZINC000447955762 1030626998 /nfs/dbraw/zinc/62/69/98/1030626998.db2.gz RLILOLJESFDJPO-UHFFFAOYSA-N -1 0 329.878 3.736 20 0 EHADRM CC(C)(C)C1=CCN(C(=O)N=c2nc(-c3ccsc3)[n-]s2)CC1 ZINC000447997557 1030648359 /nfs/dbraw/zinc/64/83/59/1030648359.db2.gz DSOLDFTUFAPRBM-UHFFFAOYSA-N -1 0 348.497 3.899 20 0 EHADRM CCC(=O)Nc1ccc(C)c(NC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000060689909 1030652293 /nfs/dbraw/zinc/65/22/93/1030652293.db2.gz AUNWGQZSKGUAOJ-UHFFFAOYSA-N -1 0 332.787 3.955 20 0 EHADRM Cc1cscc1NC(=O)N=c1[n-]nc(/C=C\c2ccco2)s1 ZINC000343391685 1030661263 /nfs/dbraw/zinc/66/12/63/1030661263.db2.gz FDWBTJMGLUYFJE-PLNGDYQASA-N -1 0 332.410 3.737 20 0 EHADRM COc1ccccc1CC1CCN(C(=O)c2c([O-])cccc2F)CC1 ZINC000122550599 1030674672 /nfs/dbraw/zinc/67/46/72/1030674672.db2.gz JGWRXRUMERPTAX-UHFFFAOYSA-N -1 0 343.398 3.635 20 0 EHADRM CCOC(=O)c1cnc(Nc2ccc(C)c(C(=O)[O-])c2)c(Cl)c1 ZINC001211596851 1030683444 /nfs/dbraw/zinc/68/34/44/1030683444.db2.gz NNZHFDMAPHINEW-UHFFFAOYSA-N -1 0 334.759 3.662 20 0 EHADRM CCc1nc(=NC[C@@H](CCCOC)c2ccc(Cl)cc2)s[n-]1 ZINC000583770283 1030695989 /nfs/dbraw/zinc/69/59/89/1030695989.db2.gz VSXOHZWHVCNDBN-CYBMUJFWSA-N -1 0 339.892 3.798 20 0 EHADRM C[C@H](NC(=O)N=c1ccc(C2CC2)n[n-]1)c1cccc2ccccc21 ZINC000448144195 1030748768 /nfs/dbraw/zinc/74/87/68/1030748768.db2.gz AWIQEWRNTHNPKR-ZDUSSCGKSA-N -1 0 332.407 3.812 20 0 EHADRM Cc1cc(C(=O)N=c2ncn(C3CCCCC3)[n-]2)c(C)cc1Cl ZINC000476625229 1030753471 /nfs/dbraw/zinc/75/34/71/1030753471.db2.gz BFCMGJZVEYOBOD-UHFFFAOYSA-N -1 0 332.835 3.728 20 0 EHADRM CC(C)(Cc1ccccc1Cl)NC(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000448153453 1030773691 /nfs/dbraw/zinc/77/36/91/1030773691.db2.gz FAIYIVOLBHKOKH-UHFFFAOYSA-N -1 0 344.846 3.572 20 0 EHADRM O=C(N=c1[n-]nc(-c2cc3ccccc3o2)s1)N1CCC12CCC2 ZINC000527309387 1030785067 /nfs/dbraw/zinc/78/50/67/1030785067.db2.gz ZHKBUGWYHVUNEN-UHFFFAOYSA-N -1 0 340.408 3.534 20 0 EHADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000262815920 1030923498 /nfs/dbraw/zinc/92/34/98/1030923498.db2.gz ALTBIDBGFOOVIP-NILFDRSVSA-N -1 0 329.421 3.987 20 0 EHADRM Cc1nc([C@H](C)NC(=O)CC2CCC(C)(C)CC2)sc1C(=O)[O-] ZINC000262858804 1030931428 /nfs/dbraw/zinc/93/14/28/1030931428.db2.gz VDQGWILFUDWWQT-NSHDSACASA-N -1 0 338.473 3.933 20 0 EHADRM COc1cc(-c2nc(C3Cc4ccccc4C3)no2)cc(Cl)c1O ZINC000527488284 1030943386 /nfs/dbraw/zinc/94/33/86/1030943386.db2.gz FFXQPGCWODKVEP-UHFFFAOYSA-N -1 0 342.782 3.987 20 0 EHADRM O=C([O-])c1cc(N2CCC(C(=O)c3ccc(Cl)cc3)CC2)ccn1 ZINC000650765576 1030979320 /nfs/dbraw/zinc/97/93/20/1030979320.db2.gz WPGUESCMTJWXSI-UHFFFAOYSA-N -1 0 344.798 3.533 20 0 EHADRM COc1ccc(C)cc1[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000551108522 1031039290 /nfs/dbraw/zinc/03/92/90/1031039290.db2.gz DEXNSWAQCSQOKH-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM COCc1n[n-]c(=NC[C@@H](Cc2ccccc2)c2ccccc2)s1 ZINC000477101075 1031253710 /nfs/dbraw/zinc/25/37/10/1031253710.db2.gz OEUHSGHLFCGKSX-QGZVFWFLSA-N -1 0 339.464 3.545 20 0 EHADRM O=C([O-])c1ccc(-c2cc(F)ccc2OC[C@H]2CCOC2)c(F)c1 ZINC000568266056 1031269099 /nfs/dbraw/zinc/26/90/99/1031269099.db2.gz ICXBPDIVRZKLRQ-NSHDSACASA-N -1 0 334.318 3.745 20 0 EHADRM O=S(=O)([N-]c1cnc2c(c1)CCCC2)c1cc(Cl)ccc1F ZINC000551390378 1031286422 /nfs/dbraw/zinc/28/64/22/1031286422.db2.gz YOHWBWBCRHECOX-UHFFFAOYSA-N -1 0 340.807 3.554 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NCc1ccc(OC[C@H]2CCCO2)cc1 ZINC000551423494 1031318253 /nfs/dbraw/zinc/31/82/53/1031318253.db2.gz WXKIUTLAKZUYHD-GOSISDBHSA-N -1 0 341.407 3.863 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)no2)cc(C)c1F ZINC000175650076 1031324537 /nfs/dbraw/zinc/32/45/37/1031324537.db2.gz ZZHSFTKPQJTLTE-UHFFFAOYSA-N -1 0 326.393 3.529 20 0 EHADRM CN(Cc1cc2ccccc2o1)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000175457724 1031338539 /nfs/dbraw/zinc/33/85/39/1031338539.db2.gz PWAAJLSLMCEYBU-UHFFFAOYSA-N -1 0 347.374 3.596 20 0 EHADRM CSc1cc(C)c(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)o1 ZINC000668278339 1031377788 /nfs/dbraw/zinc/37/77/88/1031377788.db2.gz CGQGUFBDRZCISQ-ZDUSSCGKSA-N -1 0 333.409 3.564 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)/C=C\c2ccc(Cl)s2)cc1 ZINC000315468404 1031378477 /nfs/dbraw/zinc/37/84/77/1031378477.db2.gz CFBFYSYPGBMIFG-VURMDHGXSA-N -1 0 337.784 3.517 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2ccc3c4c(cccc42)CC3)cc1 ZINC000427979090 1031448775 /nfs/dbraw/zinc/44/87/75/1031448775.db2.gz GOXMCJVIEOLMHC-UHFFFAOYSA-N -1 0 331.371 3.567 20 0 EHADRM O=C(N=c1ccc(C(F)(F)F)n[n-]1)c1sccc1-c1ccccc1 ZINC000484142221 1031466375 /nfs/dbraw/zinc/46/63/75/1031466375.db2.gz YWMUYZFNTXYJOJ-UHFFFAOYSA-N -1 0 349.337 3.898 20 0 EHADRM CC(C)C[C@@H](C(=O)N=c1ccc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000484148262 1031470004 /nfs/dbraw/zinc/47/00/04/1031470004.db2.gz RUTFXGCSRWHQRE-CYBMUJFWSA-N -1 0 337.345 3.686 20 0 EHADRM CC(C)Sc1ccc(C(=O)N=c2ccc(C(F)(F)F)n[n-]2)cc1 ZINC000484174945 1031476814 /nfs/dbraw/zinc/47/68/14/1031476814.db2.gz LEFZDEALPGNYJU-UHFFFAOYSA-N -1 0 341.358 3.670 20 0 EHADRM O=C(CCc1ccc2ccccc2c1)N=c1ccc(C(F)(F)F)n[n-]1 ZINC000484138172 1031478239 /nfs/dbraw/zinc/47/82/39/1031478239.db2.gz DGVZERCJZJMQPZ-UHFFFAOYSA-N -1 0 345.324 3.642 20 0 EHADRM C[C@H](CNC(=O)c1cc(F)c([O-])c(Cl)c1)Oc1ccc(F)cc1 ZINC000194767222 1031485634 /nfs/dbraw/zinc/48/56/34/1031485634.db2.gz IFWLZCVAXXDWGF-SECBINFHSA-N -1 0 341.741 3.521 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CC[C@@H](C)[C@H]3C)n2)cc1 ZINC000177063705 1031530372 /nfs/dbraw/zinc/53/03/72/1031530372.db2.gz MLFNWBUSDMNMBU-ZIAGYGMSSA-N -1 0 327.428 3.572 20 0 EHADRM Cc1ccc(-c2nnc([N-]S(=O)(=O)c3cc(C)ccc3C)o2)s1 ZINC000194841701 1031561139 /nfs/dbraw/zinc/56/11/39/1031561139.db2.gz GNBDCEKBTPOSLS-UHFFFAOYSA-N -1 0 349.437 3.524 20 0 EHADRM CCc1cccc(C)c1NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000177733022 1031562813 /nfs/dbraw/zinc/56/28/13/1031562813.db2.gz IENGKPTXJFPXDF-UHFFFAOYSA-N -1 0 335.407 3.597 20 0 EHADRM CC(C)c1ccc([C@H](CC(=O)[O-])[NH2+]Cc2[nH]nc3ccccc32)cc1 ZINC000904001684 1031586866 /nfs/dbraw/zinc/58/68/66/1031586866.db2.gz DFQKCXQPZVDXEI-SFHVURJKSA-N -1 0 337.423 3.992 20 0 EHADRM O=C([O-])C[C@H](NCc1nccc2c1CCCC2)c1ccc(F)cc1F ZINC000904002583 1031591354 /nfs/dbraw/zinc/59/13/54/1031591354.db2.gz ZCDNBJBPUMBJSW-KRWDZBQOSA-N -1 0 346.377 3.544 20 0 EHADRM CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000484462255 1031593247 /nfs/dbraw/zinc/59/32/47/1031593247.db2.gz XGHMWZGVIDLZPA-UHFFFAOYSA-N -1 0 339.436 3.630 20 0 EHADRM CC[C@@H](Cc1ccc(NCc2c(C)nn(C)c2Cl)cc1)C(=O)[O-] ZINC000904015842 1031602912 /nfs/dbraw/zinc/60/29/12/1031602912.db2.gz ZDHHOEFECOBIKO-ZDUSSCGKSA-N -1 0 335.835 3.647 20 0 EHADRM CC(C)(C)c1csc(CN[C@@H](CC(=O)[O-])c2ccccc2F)n1 ZINC000904046229 1031666857 /nfs/dbraw/zinc/66/68/57/1031666857.db2.gz XUKDMASHEWXJSZ-ZDUSSCGKSA-N -1 0 336.432 3.885 20 0 EHADRM Cc1cc(C)cc(-c2ccc(S(=O)(=O)CCCC(=O)[O-])cc2)c1 ZINC000568533094 1031667198 /nfs/dbraw/zinc/66/71/98/1031667198.db2.gz PCYUHEHPMRMGFQ-UHFFFAOYSA-N -1 0 332.421 3.609 20 0 EHADRM CCO[C@H](C)c1nc(CC(=O)Nc2cc(Cl)ccc2O)cs1 ZINC000117412969 1031711413 /nfs/dbraw/zinc/71/14/13/1031711413.db2.gz FMTBPCLTOJVYRS-SECBINFHSA-N -1 0 340.832 3.781 20 0 EHADRM O=C([O-])N[C@@H]1C[C@@H](Nc2cccc(N3CCCCC3)c2)C12CCC2 ZINC000904199685 1031848670 /nfs/dbraw/zinc/84/86/70/1031848670.db2.gz RKZHPZWYKRVZKE-IAGOWNOFSA-N -1 0 329.444 3.668 20 0 EHADRM Cc1ccn(-c2ccccc2NC(=O)c2cc(F)c(F)c([O-])c2F)n1 ZINC000180160184 1031862975 /nfs/dbraw/zinc/86/29/75/1031862975.db2.gz LURHWPRZBBTHCC-UHFFFAOYSA-N -1 0 347.296 3.556 20 0 EHADRM CC(C)Cn1ncc(N[C@H]2C[C@@H](NC(=O)[O-])C23CCC3)c1C(C)C ZINC000904229018 1031867516 /nfs/dbraw/zinc/86/75/16/1031867516.db2.gz ZYNKWQMHXFFJIH-LSDHHAIUSA-N -1 0 334.464 3.653 20 0 EHADRM CCCCn1ncc(N[C@H]2C[C@H](NC(=O)[O-])C23CCC3)c1C(C)C ZINC000904234412 1031881890 /nfs/dbraw/zinc/88/18/90/1031881890.db2.gz KUJYHRDQWYAJRP-GJZGRUSLSA-N -1 0 334.464 3.797 20 0 EHADRM CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1c([O-])cccc1F ZINC000163799948 1031904412 /nfs/dbraw/zinc/90/44/12/1031904412.db2.gz OHMPBMPWZAGPCS-UHFFFAOYSA-N -1 0 343.276 3.702 20 0 EHADRM CCCN(C(=O)Nc1ccc(CCSC)cc1)[C@@H](CC)C(=O)[O-] ZINC000584210259 1031944804 /nfs/dbraw/zinc/94/48/04/1031944804.db2.gz DLPSNYGCRGJTLG-HNNXBMFYSA-N -1 0 338.473 3.699 20 0 EHADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc3[nH]c(=O)oc32)cc1 ZINC000041262095 1031958312 /nfs/dbraw/zinc/95/83/12/1031958312.db2.gz BHOYZNRSNTXSDD-UHFFFAOYSA-N -1 0 346.408 3.632 20 0 EHADRM CC(C)[C@H]1N(C(=O)N=c2nc(-c3ccsc3)[n-]s2)CC12CCC2 ZINC000584275112 1032054037 /nfs/dbraw/zinc/05/40/37/1032054037.db2.gz UFINCWHWEZYDMZ-GFCCVEGCSA-N -1 0 348.497 3.731 20 0 EHADRM O=C(CSc1n[n-]c(=Nc2ccccc2F)s1)C1CCCC1 ZINC000607757212 1033303227 /nfs/dbraw/zinc/30/32/27/1033303227.db2.gz GRJDLVDPKNDPQS-UHFFFAOYSA-N -1 0 337.445 3.694 20 0 EHADRM CCCCc1ccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)cc1 ZINC000511289074 1033331144 /nfs/dbraw/zinc/33/11/44/1033331144.db2.gz MZAHKUUPZZWLID-UHFFFAOYSA-N -1 0 329.425 3.706 20 0 EHADRM CC(C)(C)Cc1n[n-]c(=NCc2ccc(F)c(C(F)(F)F)c2)o1 ZINC000537491425 1033377884 /nfs/dbraw/zinc/37/78/84/1033377884.db2.gz YFSJMYINCITLTJ-UHFFFAOYSA-N -1 0 331.313 3.850 20 0 EHADRM CSC[C@@H](C)c1nc(-c2cc(F)c([O-])c(Br)c2)no1 ZINC000598682548 1033381086 /nfs/dbraw/zinc/38/10/86/1033381086.db2.gz DNCBLZNLYNDSLH-ZCFIWIBFSA-N -1 0 347.209 3.810 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)nc1 ZINC000608258548 1033553657 /nfs/dbraw/zinc/55/36/57/1033553657.db2.gz OLWNCFMTWRTOKC-UHFFFAOYSA-N -1 0 348.468 3.805 20 0 EHADRM O=C([O-])[C@H](CC(=O)N[C@@H](CC1CC1)c1ccccc1)c1ccccc1 ZINC000608340169 1033612106 /nfs/dbraw/zinc/61/21/06/1033612106.db2.gz GDOZJRQXLQCNEH-MOPGFXCFSA-N -1 0 337.419 3.903 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)Oc2cc(C)ccc2Cl)c1 ZINC000537545637 1033630787 /nfs/dbraw/zinc/63/07/87/1033630787.db2.gz CIFVPNOFWUUAQD-GFCCVEGCSA-N -1 0 347.798 3.963 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)Cc2ccc(OCC(C)C)cc2)c1 ZINC000476373364 1033669075 /nfs/dbraw/zinc/66/90/75/1033669075.db2.gz CEMSOMVIDIOWNK-UHFFFAOYSA-N -1 0 341.407 3.811 20 0 EHADRM CCN(Cc1ccccc1)C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000063809027 1033737442 /nfs/dbraw/zinc/73/74/42/1033737442.db2.gz OQDMONBTFWTHLC-UHFFFAOYSA-N -1 0 339.420 3.660 20 0 EHADRM O=C(Nc1ccc(O)c(C(F)(F)F)c1)[C@H]1CC12CCSCC2 ZINC000450084733 1033745314 /nfs/dbraw/zinc/74/53/14/1033745314.db2.gz IYXJKJGHNJGQTF-LLVKDONJSA-N -1 0 331.359 3.883 20 0 EHADRM O=C(N=c1nc(Sc2ccccc2)[n-]s1)c1ccc(Cl)o1 ZINC000599133557 1033766211 /nfs/dbraw/zinc/76/62/11/1033766211.db2.gz OMUHSVRUUBOTQF-UHFFFAOYSA-N -1 0 337.813 3.610 20 0 EHADRM Cc1ccnc(Sc2n[n-]c(=Nc3ccc(C)c(Cl)c3)s2)n1 ZINC000605566981 1033776567 /nfs/dbraw/zinc/77/65/67/1033776567.db2.gz UTGLPLRUWXOMMV-UHFFFAOYSA-N -1 0 349.872 3.915 20 0 EHADRM O=C([N-]c1nnc(-c2ccccn2)s1)c1cc(-c2ccccc2)no1 ZINC000046754003 1033831929 /nfs/dbraw/zinc/83/19/29/1033831929.db2.gz QWBIHVSQMFBLSU-UHFFFAOYSA-N -1 0 349.375 3.507 20 0 EHADRM O=C([O-])CCOc1ccc(Cl)cc1-c1ccc(C2(CO)CC2)cc1 ZINC000575137846 1033864805 /nfs/dbraw/zinc/86/48/05/1033864805.db2.gz GXCCCQLNXIRPQJ-UHFFFAOYSA-N -1 0 346.810 3.884 20 0 EHADRM O=C([O-])C1(c2cccc(-c3cncc(-n4cccn4)c3)c2)CCCC1 ZINC000575196679 1033887086 /nfs/dbraw/zinc/88/70/86/1033887086.db2.gz TZIVEPVLYOTXOZ-UHFFFAOYSA-N -1 0 333.391 3.831 20 0 EHADRM COC(=O)c1cc(C(C)C)ccc1[N-]S(=O)(=O)c1ccccc1C ZINC000608955346 1033960697 /nfs/dbraw/zinc/96/06/97/1033960697.db2.gz LLGKSKKTCASPOS-UHFFFAOYSA-N -1 0 347.436 3.706 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC[C@H]1Cc1ccccc1 ZINC000174502729 1033971234 /nfs/dbraw/zinc/97/12/34/1033971234.db2.gz SJLUJHYMKPCENS-HNNXBMFYSA-N -1 0 338.432 3.964 20 0 EHADRM O=S(=O)([N-]c1nc2c(s1)CCCC2)c1ccc(Cl)cc1F ZINC000612063158 1033982901 /nfs/dbraw/zinc/98/29/01/1033982901.db2.gz PWYCGIVCUKZKFP-UHFFFAOYSA-N -1 0 346.836 3.615 20 0 EHADRM CCCc1ccc(-c2cc([N-]S(=O)(=O)c3cccs3)n[nH]2)cc1 ZINC000612065097 1033985084 /nfs/dbraw/zinc/98/50/84/1033985084.db2.gz AIIWNTZDBIWSCO-UHFFFAOYSA-N -1 0 347.465 3.892 20 0 EHADRM C[C@@H](Oc1cccc(/C=C(\C#N)c2cnc3ccccc3n2)c1)C(=O)[O-] ZINC000191361454 1034031177 /nfs/dbraw/zinc/03/11/77/1034031177.db2.gz XFYOCPWBIFEPJK-GULXKOIASA-N -1 0 345.358 3.546 20 0 EHADRM COc1ccc([C@@H]2CCCN2C(=O)c2c([O-])cccc2F)c(OC)c1 ZINC000119153339 1034089061 /nfs/dbraw/zinc/08/90/61/1034089061.db2.gz JDNDIIPGOKPNIW-HNNXBMFYSA-N -1 0 345.370 3.526 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1cccc(C(C)C)c1 ZINC000460462632 1034260678 /nfs/dbraw/zinc/26/06/78/1034260678.db2.gz WHIQSPUXDITJAI-UHFFFAOYSA-N -1 0 333.409 3.617 20 0 EHADRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C)s2)c1C1CC1 ZINC000534237124 1034276220 /nfs/dbraw/zinc/27/62/20/1034276220.db2.gz IROREOWVSOZSMO-JTQLQIEISA-N -1 0 339.486 3.902 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)s1 ZINC000511325137 1034407483 /nfs/dbraw/zinc/40/74/83/1034407483.db2.gz KWPRXQUOUXIFKA-UHFFFAOYSA-N -1 0 338.237 3.870 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(CCCl)cc2)cnc1Cl ZINC000228020140 1034428063 /nfs/dbraw/zinc/42/80/63/1034428063.db2.gz PZHGGSKNHZPHMX-UHFFFAOYSA-N -1 0 345.251 3.626 20 0 EHADRM Cc1cc(C)c(CNC(=O)N=c2nc(C(C)(C)C)[n-]s2)c(C)c1 ZINC000604801561 1034507772 /nfs/dbraw/zinc/50/77/72/1034507772.db2.gz JPGAROBNTWXNKG-UHFFFAOYSA-N -1 0 332.473 3.504 20 0 EHADRM CCc1oc(C(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)cc1C(=O)[O-] ZINC000450540650 1034515037 /nfs/dbraw/zinc/51/50/37/1034515037.db2.gz AOYCWVOHSHGMGJ-GFCCVEGCSA-N -1 0 347.333 3.591 20 0 EHADRM Clc1cc(Cl)cc(-c2n[n-]c(=NCC3=CCOCC3)s2)c1 ZINC000450627556 1034580523 /nfs/dbraw/zinc/58/05/23/1034580523.db2.gz XGLUXONYOWLGOO-UHFFFAOYSA-N -1 0 342.251 3.692 20 0 EHADRM COc1cccc(N=c2[n-]nc(SCCC(C)(F)F)s2)c1 ZINC000450607460 1034587025 /nfs/dbraw/zinc/58/70/25/1034587025.db2.gz AMLJQHCWYQEDJM-UHFFFAOYSA-N -1 0 331.413 3.850 20 0 EHADRM CC(C)(CNC(=O)N=c1[n-]nc(C(C)(C)C)s1)Cc1ccccc1 ZINC000605030698 1034600577 /nfs/dbraw/zinc/60/05/77/1034600577.db2.gz HDCVNUNDWXUIMM-UHFFFAOYSA-N -1 0 346.500 3.648 20 0 EHADRM COc1ccccc1N=c1[n-]nc(SCCC(C)(F)F)s1 ZINC000450635244 1034625833 /nfs/dbraw/zinc/62/58/33/1034625833.db2.gz JCCVEHKGJIANSC-UHFFFAOYSA-N -1 0 331.413 3.850 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc3ccccc3c2)c(C)c1 ZINC000060498447 1034628000 /nfs/dbraw/zinc/62/80/00/1034628000.db2.gz RIAPZNFRYOJZTB-UHFFFAOYSA-N -1 0 339.416 3.575 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)C=Cc2cccc(F)c2)c(C)c1 ZINC000060498488 1034628194 /nfs/dbraw/zinc/62/81/94/1034628194.db2.gz ILTYMSFTXWOGJV-VQHVLOKHSA-N -1 0 333.384 3.801 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000605321793 1034695046 /nfs/dbraw/zinc/69/50/46/1034695046.db2.gz BWRBQKIXBNHYKQ-RYUDHWBXSA-N -1 0 337.803 3.733 20 0 EHADRM CC[C@@H](CC(F)(F)F)C(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000450701552 1034715356 /nfs/dbraw/zinc/71/53/56/1034715356.db2.gz OLHMJPPQMOVXDP-QMMMGPOBSA-N -1 0 349.403 3.914 20 0 EHADRM O=C(c1c([O-])cccc1F)N1CCC[C@@]2(CCc3ccccc3O2)C1 ZINC000529907431 1034740156 /nfs/dbraw/zinc/74/01/56/1034740156.db2.gz YAXXSXLRKRFXPY-HXUWFJFHSA-N -1 0 341.382 3.531 20 0 EHADRM CC(C)c1noc(=N[C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)[n-]1 ZINC000605691160 1034821019 /nfs/dbraw/zinc/82/10/19/1034821019.db2.gz SOTGQGDCJYMYHB-BRPSZJMVSA-N -1 0 345.287 3.936 20 0 EHADRM COCCc1ccc(-c2ccc(C3(C(=O)[O-])CCOCC3)cc2)cc1 ZINC000515074249 1034839375 /nfs/dbraw/zinc/83/93/75/1034839375.db2.gz XBFPNPFIAYLAQH-UHFFFAOYSA-N -1 0 340.419 3.675 20 0 EHADRM Cc1ccc(-c2ccncc2)cc1NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-] ZINC000601980995 1034847282 /nfs/dbraw/zinc/84/72/82/1034847282.db2.gz DFQHHISNJYTRGI-OLZOCXBDSA-N -1 0 344.436 3.590 20 0 EHADRM Cc1csc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)c1 ZINC000450968362 1034993841 /nfs/dbraw/zinc/99/38/41/1034993841.db2.gz JTTAOLRZKSEMED-UHFFFAOYSA-N -1 0 340.445 3.597 20 0 EHADRM O=C([O-])[C@@H]1c2ccoc2CCN1Cc1nc(C2CCCCC2)cs1 ZINC000530166620 1035016308 /nfs/dbraw/zinc/01/63/08/1035016308.db2.gz OPFDOQNUMZHFNE-KRWDZBQOSA-N -1 0 346.452 3.968 20 0 EHADRM CC(C)c1n[n-]c(=NCC2(CCOCc3ccccc3)CC2)s1 ZINC000472442959 1035071756 /nfs/dbraw/zinc/07/17/56/1035071756.db2.gz FPSWOGIOLALUTO-UHFFFAOYSA-N -1 0 331.485 3.882 20 0 EHADRM C[C@@H](CC(=O)NCc1cccc(C(=O)[O-])c1)Cc1ccc(Cl)cc1 ZINC000431688729 1035245388 /nfs/dbraw/zinc/24/53/88/1035245388.db2.gz VTWFDVJZXHMLSZ-CYBMUJFWSA-N -1 0 345.826 3.923 20 0 EHADRM Cc1cscc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000161614503 1035285927 /nfs/dbraw/zinc/28/59/27/1035285927.db2.gz WYYWQYCUGYUSKO-UHFFFAOYSA-N -1 0 338.273 3.681 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccnn2C2CCCC2)c(Cl)c1 ZINC000066248835 1035326538 /nfs/dbraw/zinc/32/65/38/1035326538.db2.gz ABWDVEFFIHLXPC-UHFFFAOYSA-N -1 0 339.848 3.761 20 0 EHADRM Cc1ccccc1-c1noc(CN2CCCc3c(C(=O)[O-])cccc32)n1 ZINC000612968275 1035330181 /nfs/dbraw/zinc/33/01/81/1035330181.db2.gz PIRBUYQSVYFFGK-UHFFFAOYSA-N -1 0 349.390 3.696 20 0 EHADRM O=C(Nc1nc2c(s1)CSCC2)c1ccc([O-])c(Cl)c1 ZINC000376185458 1035389210 /nfs/dbraw/zinc/38/92/10/1035389210.db2.gz FCFRZKKLXOGSQI-UHFFFAOYSA-N -1 0 326.830 3.544 20 0 EHADRM Cc1cccnc1CCCNC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1 ZINC000414090605 1035477464 /nfs/dbraw/zinc/47/74/64/1035477464.db2.gz KWZNMYYGMWDQQE-FQEVSTJZSA-N -1 0 346.471 3.500 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)c1cccn1C1CCCC1 ZINC000431792316 1035511804 /nfs/dbraw/zinc/51/18/04/1035511804.db2.gz BYVNPVYUHCDLMR-CVEARBPZSA-N -1 0 332.444 3.757 20 0 EHADRM C[C@@](CC(=O)N[C@H]1CCC12CCCC2)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000414103349 1035514040 /nfs/dbraw/zinc/51/40/40/1035514040.db2.gz UJJSPNDBIAAWTA-YJBOKZPZSA-N -1 0 349.858 3.911 20 0 EHADRM C[C@H](CCc1cccc(F)c1)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000463481720 1035547557 /nfs/dbraw/zinc/54/75/57/1035547557.db2.gz PAHAUCWLBVEZKQ-LLVKDONJSA-N -1 0 335.448 3.604 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)c2cccc(-c3cscn3)c2)s[n-]1 ZINC000463482546 1035549722 /nfs/dbraw/zinc/54/97/22/1035549722.db2.gz UOYBQSXEPWLBTA-UHFFFAOYSA-N -1 0 344.465 3.633 20 0 EHADRM C[C@H](CCCc1cccnc1)NC(=O)CC1(CC(=O)[O-])CCCCC1 ZINC000414111409 1035552297 /nfs/dbraw/zinc/55/22/97/1035552297.db2.gz XALKLLJSQDOPGS-MRXNPFEDSA-N -1 0 346.471 3.724 20 0 EHADRM O=C([O-])C1(CNC(=O)C2(Cc3cccc(Cl)c3)CCCC2)CCC1 ZINC000540670551 1035559883 /nfs/dbraw/zinc/55/98/83/1035559883.db2.gz IYSPZLSGQNYXQO-UHFFFAOYSA-N -1 0 349.858 3.814 20 0 EHADRM CC(C)(C)C1=CCN(C(=O)N=c2ccc(-c3ccccc3)n[n-]2)CC1 ZINC000534750545 1035563048 /nfs/dbraw/zinc/56/30/48/1035563048.db2.gz VQDSFWDDJMGALI-UHFFFAOYSA-N -1 0 336.439 3.776 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2ccc(-c3ccccc3)[nH]2)CCCCC1 ZINC000540776103 1035671446 /nfs/dbraw/zinc/67/14/46/1035671446.db2.gz BAOQHAKDXITKQT-UHFFFAOYSA-N -1 0 340.423 3.837 20 0 EHADRM CC(C)[C@H](C(=O)NCC1(CC(=O)[O-])CCCCC1)c1ccccc1 ZINC000540777109 1035672581 /nfs/dbraw/zinc/67/25/81/1035672581.db2.gz WNELYQHGXBMRKZ-SFHVURJKSA-N -1 0 331.456 3.968 20 0 EHADRM O=C(N=c1[n-]nc(Cc2ccccc2)s1)c1ccc(C(F)F)cc1 ZINC000588015441 1035682489 /nfs/dbraw/zinc/68/24/89/1035682489.db2.gz SPWZOMDMBOYGPT-UHFFFAOYSA-N -1 0 345.374 3.741 20 0 EHADRM CCCOc1ccc(/C=C\c2cc(C(=O)[O-])ncn2)cc1OCC ZINC000534878998 1035736888 /nfs/dbraw/zinc/73/68/88/1035736888.db2.gz OPAVYUKYQQHTIW-ALCCZGGFSA-N -1 0 328.368 3.533 20 0 EHADRM CC(C)[C@@H]1N(C(=O)c2cc(F)c(F)c([O-])c2F)CC12CCCC2 ZINC000457142378 1035777939 /nfs/dbraw/zinc/77/79/39/1035777939.db2.gz KTVMGJNJRQOZEC-HNNXBMFYSA-N -1 0 327.346 3.850 20 0 EHADRM COc1ccc(NC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)cc1OC ZINC000588176093 1035801210 /nfs/dbraw/zinc/80/12/10/1035801210.db2.gz CBYRVPZXNRSSPI-LJQANCHMSA-N -1 0 349.427 3.704 20 0 EHADRM CCc1cnc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)s1 ZINC000174021010 1035837267 /nfs/dbraw/zinc/83/72/67/1035837267.db2.gz NZRQCHSDQDHYOG-UHFFFAOYSA-N -1 0 337.253 3.813 20 0 EHADRM CCC(CC)[C@H](NC(=O)c1ccc2oc(=O)nc-2[n-]1)c1ccccc1 ZINC000669273156 1035887625 /nfs/dbraw/zinc/88/76/25/1035887625.db2.gz QXFYCPNZWKEGCI-INIZCTEOSA-N -1 0 339.395 3.836 20 0 EHADRM CCC[C@@H](CNC(=O)Cc1cc2c(ccc3ccccc23)o1)C(=O)[O-] ZINC000263099387 1035889096 /nfs/dbraw/zinc/88/90/96/1035889096.db2.gz FHQXALDCRYLGSV-AWEZNQCLSA-N -1 0 339.391 3.746 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)Nc3ccccc3C(C)C)cc2=O)cc1 ZINC000174531173 1035989791 /nfs/dbraw/zinc/98/97/91/1035989791.db2.gz UNBZUANAWRXBGQ-UHFFFAOYSA-N -1 0 335.407 3.850 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C2CCC(c3ccccc3)CC2)C1 ZINC000263110660 1036073838 /nfs/dbraw/zinc/07/38/38/1036073838.db2.gz BSFGEOHQMURSNG-KUQKPQIMSA-N -1 0 329.440 3.530 20 0 EHADRM CC(C)(CCCc1ccccc1)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000541207017 1036080490 /nfs/dbraw/zinc/08/04/90/1036080490.db2.gz NVRZYVLOYKIJHV-LAUBAEHRSA-N -1 0 343.467 3.749 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2nccc3cc(Br)ccc32)C1 ZINC000263112198 1036095474 /nfs/dbraw/zinc/09/54/74/1036095474.db2.gz DONYEFVIKWOUQO-PWSUYJOCSA-N -1 0 349.228 3.544 20 0 EHADRM [O-]c1c(Cl)cc(Cl)cc1/C=N/C[C@H](O)COc1ccccc1 ZINC000032074273 1036101464 /nfs/dbraw/zinc/10/14/64/1036101464.db2.gz DVKRTHSYLOARMH-UJHWAJGWSA-N -1 0 340.206 3.558 20 0 EHADRM C[C@H](CC(=O)N=c1nc(-c2cccnc2)[n-]s1)C1CCCCC1 ZINC000535170624 1036107887 /nfs/dbraw/zinc/10/78/87/1036107887.db2.gz BXXKGJXJDHGJFJ-GFCCVEGCSA-N -1 0 330.457 3.567 20 0 EHADRM COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cccc(C(F)F)c1 ZINC000780398486 1036121581 /nfs/dbraw/zinc/12/15/81/1036121581.db2.gz OAZNSICNHHAQMU-UHFFFAOYSA-N -1 0 349.305 3.712 20 0 EHADRM C[C@H](CC(F)(F)F)C(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000457556509 1036250786 /nfs/dbraw/zinc/25/07/86/1036250786.db2.gz MDLTZUBVCDHCBC-SSDOTTSWSA-N -1 0 349.765 3.807 20 0 EHADRM CC(C)C[C@H](C)n1nccc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000589270853 1036335519 /nfs/dbraw/zinc/33/55/19/1036335519.db2.gz KCUSQEVBGCOCKL-NSHDSACASA-N -1 0 343.399 3.569 20 0 EHADRM CC(=C([O-])c1ccccc1C(F)(F)F)S(=O)(=O)c1ccccc1 ZINC000191225908 1036350236 /nfs/dbraw/zinc/35/02/36/1036350236.db2.gz QIRKITDQGKOCLW-LLVKDONJSA-N -1 0 342.338 3.751 20 0 EHADRM Brc1cccc(-c2ccc(CN=c3[n-]nco3)s2)c1 ZINC000472571382 1036386078 /nfs/dbraw/zinc/38/60/78/1036386078.db2.gz SYPXVVXOQWVGKE-UHFFFAOYSA-N -1 0 336.214 3.595 20 0 EHADRM CC(C)(C)n1cnc(=NC(=O)N2CCC[C@H]2CCC2CCCCC2)[n-]1 ZINC000541505050 1036385924 /nfs/dbraw/zinc/38/59/24/1036385924.db2.gz AFOWUTNSTREQRE-INIZCTEOSA-N -1 0 347.507 3.812 20 0 EHADRM CC(C)C(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2O)cc1 ZINC000153416850 1036412861 /nfs/dbraw/zinc/41/28/61/1036412861.db2.gz JEOOSQBFYZMCIK-UHFFFAOYSA-N -1 0 332.787 3.892 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1cccc(Cl)c1Br ZINC000235435988 1036444965 /nfs/dbraw/zinc/44/49/65/1036444965.db2.gz MGVGBIDNRBIFBL-ZETCQYMHSA-N -1 0 334.597 3.542 20 0 EHADRM CC(C)c1c([N-]S(=O)(=O)c2cccs2)cnn1-c1ccccc1 ZINC000192153883 1036481032 /nfs/dbraw/zinc/48/10/32/1036481032.db2.gz ZBJUZFYFGWZPII-UHFFFAOYSA-N -1 0 347.465 3.858 20 0 EHADRM O=S(=O)([N-]c1cc(CCc2ccccc2)ccn1)c1cccs1 ZINC000175667361 1036488022 /nfs/dbraw/zinc/48/80/22/1036488022.db2.gz HJCIYWHHTIYAKS-UHFFFAOYSA-N -1 0 344.461 3.729 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ncc(Cl)cc2Cl)c(F)c1 ZINC000093929827 1036564829 /nfs/dbraw/zinc/56/48/29/1036564829.db2.gz ORYHUPROXMLDTH-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM CCC[C@@H](CNC(=O)c1ccccc1Cc1ccccc1)C(=O)[O-] ZINC000263169376 1036600905 /nfs/dbraw/zinc/60/09/05/1036600905.db2.gz KLFLYNZNMFXIEH-KRWDZBQOSA-N -1 0 325.408 3.508 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N(Cc2ccccc2C)C2CC2)s1 ZINC000589713008 1036604202 /nfs/dbraw/zinc/60/42/02/1036604202.db2.gz RECFWLMYKTVGAW-UHFFFAOYSA-N -1 0 344.484 3.808 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CSCc2ccc(F)cc2)c1 ZINC000589725444 1036607594 /nfs/dbraw/zinc/60/75/94/1036607594.db2.gz PPXJWOKQYIYXHY-UHFFFAOYSA-N -1 0 347.411 3.996 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000263217572 1036637020 /nfs/dbraw/zinc/63/70/20/1036637020.db2.gz XWRTXGHYZMRCGZ-GOEBONIOSA-N -1 0 335.469 3.803 20 0 EHADRM CC[C@@H]1CCN(C(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)C1 ZINC000541798438 1036654619 /nfs/dbraw/zinc/65/46/19/1036654619.db2.gz KIGOPRATGUYXNK-SNVBAGLBSA-N -1 0 336.848 3.544 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)c2ccc(-c3ccccc3F)o2)s[n-]1 ZINC000589935897 1036666883 /nfs/dbraw/zinc/66/68/83/1036666883.db2.gz HIGMNESRMJAZEJ-UHFFFAOYSA-N -1 0 345.399 3.909 20 0 EHADRM O=C(Nc1ccc(C(F)(F)F)cc1)c1nn(-c2ccccc2)cc1[O-] ZINC000218305280 1036672933 /nfs/dbraw/zinc/67/29/33/1036672933.db2.gz NIZGGBOUVQCHOV-UHFFFAOYSA-N -1 0 347.296 3.849 20 0 EHADRM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3F)cc2o1 ZINC000073957093 1036731559 /nfs/dbraw/zinc/73/15/59/1036731559.db2.gz DPVCBMNWURFINT-UHFFFAOYSA-N -1 0 340.763 3.730 20 0 EHADRM CCOc1ccccc1-c1cccc(C(=O)N(CC)CCC(=O)[O-])c1 ZINC000263261032 1036734046 /nfs/dbraw/zinc/73/40/46/1036734046.db2.gz MKGBDMCPECPXGV-UHFFFAOYSA-N -1 0 341.407 3.689 20 0 EHADRM Cc1nc([C@@H](C)NC(=O)c2ccc(Cl)cc2C)sc1C(=O)[O-] ZINC000263269793 1036743389 /nfs/dbraw/zinc/74/33/89/1036743389.db2.gz LWELPAOSLYOTFM-SECBINFHSA-N -1 0 338.816 3.603 20 0 EHADRM CCCc1n[n-]c(=NC(=O)N2CCC[C@@H]2/C=C\c2ccccc2)s1 ZINC000541879655 1036755933 /nfs/dbraw/zinc/75/59/33/1036755933.db2.gz XFMNAZYKCHBQQN-QYMJWVLRSA-N -1 0 342.468 3.622 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)[C@H](C)C3(C)CC3)n2)cc1 ZINC000176331537 1036867285 /nfs/dbraw/zinc/86/72/85/1036867285.db2.gz NBZJINYGLHRNLC-CQSZACIVSA-N -1 0 341.455 3.962 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cccs2)nn1-c1cc(C)cc(C)c1 ZINC000539597137 1036949306 /nfs/dbraw/zinc/94/93/06/1036949306.db2.gz NJFPUELFBBQWOI-UHFFFAOYSA-N -1 0 347.465 3.660 20 0 EHADRM COc1ccc(Cc2nc(=O)c3snc(-c4ccccc4)c3[n-]2)cc1 ZINC000542087894 1037053230 /nfs/dbraw/zinc/05/32/30/1037053230.db2.gz BDTYUGZDRMAMHN-UHFFFAOYSA-N -1 0 349.415 3.646 20 0 EHADRM Fc1ccccc1Cc1n[n-]c(=NCc2c(F)cccc2Cl)o1 ZINC000539692953 1037084024 /nfs/dbraw/zinc/08/40/24/1037084024.db2.gz OITLMKJTLYJBPU-UHFFFAOYSA-N -1 0 335.741 3.626 20 0 EHADRM Fc1ccc(CN=c2[n-]nc(CC3CCCC3)o2)c2ncccc12 ZINC000539695022 1037084086 /nfs/dbraw/zinc/08/40/86/1037084086.db2.gz YRGBATPZUQBXFZ-UHFFFAOYSA-N -1 0 326.375 3.524 20 0 EHADRM Fc1ccc(CN=c2[n-]nc(CCc3ccccc3)o2)cc1Cl ZINC000539692870 1037085524 /nfs/dbraw/zinc/08/55/24/1037085524.db2.gz HRTOPOVGAQLBKN-UHFFFAOYSA-N -1 0 331.778 3.681 20 0 EHADRM CCCc1n[n-]c(=NCc2csc(-c3ccc(Cl)cc3)n2)o1 ZINC000539692933 1037085717 /nfs/dbraw/zinc/08/57/17/1037085717.db2.gz MSLAZDDGLPWRAQ-UHFFFAOYSA-N -1 0 334.832 3.833 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)cc1 ZINC000263542563 1037102634 /nfs/dbraw/zinc/10/26/34/1037102634.db2.gz RPZOBRSTHBRISL-IPMKNSEASA-N -1 0 335.403 3.793 20 0 EHADRM CC(C)C[C@H]1CCN(C(=O)N=c2[n-]nc(-c3ccccc3)s2)C1 ZINC000465067962 1037105633 /nfs/dbraw/zinc/10/56/33/1037105633.db2.gz REUZNQOPQMMACC-CYBMUJFWSA-N -1 0 330.457 3.527 20 0 EHADRM CCSc1ccc([C@H](C)NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000590949272 1037137308 /nfs/dbraw/zinc/13/73/08/1037137308.db2.gz SUTICSUXRATSOT-APHBMKBZSA-N -1 0 333.453 3.643 20 0 EHADRM C[C@H]1CCCC[C@H]1NC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666510078 1037160711 /nfs/dbraw/zinc/16/07/11/1037160711.db2.gz LTPRPHGFYKNYMJ-KBXCAEBGSA-N -1 0 344.455 3.853 20 0 EHADRM CCCN(CCc1cccs1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000666563636 1037212720 /nfs/dbraw/zinc/21/27/20/1037212720.db2.gz IQHCYCBZJZXICF-UHFFFAOYSA-N -1 0 346.452 3.611 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C3CC3)cc2)cc1 ZINC000659118372 1037295352 /nfs/dbraw/zinc/29/53/52/1037295352.db2.gz WAHTXZFPEYSBIK-SFHVURJKSA-N -1 0 339.391 3.518 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000659123035 1037301924 /nfs/dbraw/zinc/30/19/24/1037301924.db2.gz SRTKKWUSQUCWRL-WFASDCNBSA-N -1 0 327.380 3.552 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000659123032 1037302610 /nfs/dbraw/zinc/30/26/10/1037302610.db2.gz SRTKKWUSQUCWRL-DOMZBBRYSA-N -1 0 327.380 3.552 20 0 EHADRM Cc1ccoc1CC(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000659128973 1037329168 /nfs/dbraw/zinc/32/91/68/1037329168.db2.gz XPUVVWKIIOXUHI-MRXNPFEDSA-N -1 0 343.423 3.760 20 0 EHADRM O=C([O-])C1CCC(NC(=O)c2cc(Cl)cc3ccccc32)CC1 ZINC000659130971 1037332756 /nfs/dbraw/zinc/33/27/56/1037332756.db2.gz MPVMYOVIJJYAGP-UHFFFAOYSA-N -1 0 331.799 3.866 20 0 EHADRM O=C([O-])c1cc(NCCc2ccc(Cl)s2)ccc1[N+](=O)[O-] ZINC000225734206 1037335643 /nfs/dbraw/zinc/33/56/43/1037335643.db2.gz WSEHCPQIPWHYKU-UHFFFAOYSA-N -1 0 326.761 3.663 20 0 EHADRM CO[C@H](C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)C1CCCCC1 ZINC000659136611 1037346971 /nfs/dbraw/zinc/34/69/71/1037346971.db2.gz OHWHSZDAIPTYAN-INIZCTEOSA-N -1 0 333.428 3.583 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000659139623 1037356128 /nfs/dbraw/zinc/35/61/28/1037356128.db2.gz FSFHAQSGOZLUFU-BLLLJJGKSA-N -1 0 345.420 3.605 20 0 EHADRM CC(C)C[C@@H](C(=O)NC[C@H](C)CC(=O)[O-])c1ccc(Cl)cc1 ZINC000659144467 1037367006 /nfs/dbraw/zinc/36/70/06/1037367006.db2.gz HRQJQDRZGIWUBO-IUODEOHRSA-N -1 0 325.836 3.697 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)C2(C(F)(F)F)CCCCC2)C1 ZINC000659145338 1037379274 /nfs/dbraw/zinc/37/92/74/1037379274.db2.gz OSUKIYKPDHRJQL-GFCCVEGCSA-N -1 0 335.366 3.603 20 0 EHADRM CC(C)c1cccc(C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000659154718 1037385615 /nfs/dbraw/zinc/38/56/15/1037385615.db2.gz SJMPKTVWOBWBMN-SFHVURJKSA-N -1 0 325.408 3.578 20 0 EHADRM Cc1ccc(-c2cc(NC(=O)c3cc(F)c([O-])c(F)c3)n[nH]2)s1 ZINC000177131422 1037386284 /nfs/dbraw/zinc/38/62/84/1037386284.db2.gz MKVDPTWQGBQMGQ-UHFFFAOYSA-N -1 0 335.335 3.683 20 0 EHADRM Cc1cccc(C)c1[C@H]1CCCN1C(=O)c1cccc(CC(=O)[O-])c1 ZINC000659167468 1037404741 /nfs/dbraw/zinc/40/47/41/1037404741.db2.gz OQUUEEIIPURJOJ-GOSISDBHSA-N -1 0 337.419 3.908 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)C(C)(C)c2ccccc2C)n1 ZINC000659185584 1037430335 /nfs/dbraw/zinc/43/03/35/1037430335.db2.gz BMTORVYAEMTDEP-OAHLLOKOSA-N -1 0 343.427 3.534 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)C2CC3(C2)CCCCC3)n1 ZINC000659183988 1037435581 /nfs/dbraw/zinc/43/55/81/1037435581.db2.gz GKYBLYQWZNPXAX-CQSZACIVSA-N -1 0 333.432 3.608 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)C[C@@H]2CCc3ccccc32)[C@@H]2CCCC[C@@H]12 ZINC000659197159 1037457010 /nfs/dbraw/zinc/45/70/10/1037457010.db2.gz YWQAJRFKKOWRAX-GDAAHCPNSA-N -1 0 341.451 3.598 20 0 EHADRM O=S(=O)([N-]c1ccc(C2CCC2)cn1)c1ccc2ncsc2c1 ZINC000573318456 1037462162 /nfs/dbraw/zinc/46/21/62/1037462162.db2.gz JGUGNGIIFQFZLB-UHFFFAOYSA-N -1 0 345.449 3.760 20 0 EHADRM Cc1ccccc1C1CCN(C(=O)[C@@]2(C(=O)[O-])CC=CCC2)CC1 ZINC000653286740 1037470098 /nfs/dbraw/zinc/47/00/98/1037470098.db2.gz CQHXYWCLADSSAQ-HXUWFJFHSA-N -1 0 327.424 3.512 20 0 EHADRM Cc1c(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)sc2cccc(F)c12 ZINC000659206829 1037486630 /nfs/dbraw/zinc/48/66/30/1037486630.db2.gz NPDUQXRWRHPEIW-LLVKDONJSA-N -1 0 335.400 3.580 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NC[C@@H](CC(=O)[O-])C2CC2)c1 ZINC000659207928 1037490861 /nfs/dbraw/zinc/49/08/61/1037490861.db2.gz VWMAEBZJVPOYKA-GDBMZVCRSA-N -1 0 347.455 3.503 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N[C@](C)(CCF)C(=O)[O-] ZINC000659213962 1037496921 /nfs/dbraw/zinc/49/69/21/1037496921.db2.gz ACCZSGNIFJEPOW-LJQANCHMSA-N -1 0 343.354 3.827 20 0 EHADRM CCc1c([N-]S(=O)(=O)c2ccc(C)s2)cnn1CCC(C)C ZINC000491581251 1037560596 /nfs/dbraw/zinc/56/05/96/1037560596.db2.gz KQRLCRNFEVVCHB-UHFFFAOYSA-N -1 0 341.502 3.662 20 0 EHADRM O=C(Nc1cc2c(cn1)CCCC2)c1ccc(Br)c([O-])c1 ZINC000462990556 1037624323 /nfs/dbraw/zinc/62/43/23/1037624323.db2.gz MWSMMTOGPCTABM-UHFFFAOYSA-N -1 0 347.212 3.681 20 0 EHADRM COC(=O)c1ccc(NS(=O)(=O)c2cccc(C(C)C)c2)cc1C ZINC000460829872 1037664919 /nfs/dbraw/zinc/66/49/19/1037664919.db2.gz POFZEIJNQFGBFO-UHFFFAOYSA-N -1 0 347.436 3.706 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)c1cc(Cl)cc2ccccc21 ZINC000659142685 1037669546 /nfs/dbraw/zinc/66/95/46/1037669546.db2.gz ITWCXAAVGFJNCN-AWEZNQCLSA-N -1 0 331.799 3.963 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)sc1C ZINC000540212024 1037696149 /nfs/dbraw/zinc/69/61/49/1037696149.db2.gz KCLLATCKOQIPLL-UHFFFAOYSA-N -1 0 325.455 3.953 20 0 EHADRM O=C(CCc1cccc(Cl)c1)NN=c1[n-]c(C(F)(F)F)cs1 ZINC000152804345 1037711225 /nfs/dbraw/zinc/71/12/25/1037711225.db2.gz STUZMDQWZVCULY-UHFFFAOYSA-N -1 0 349.765 3.891 20 0 EHADRM COc1ccc(O[C@H](C)CN=c2nc(-c3ccccc3)[n-]s2)cc1 ZINC000463082630 1037758220 /nfs/dbraw/zinc/75/82/20/1037758220.db2.gz JJCZWULPKIYVDV-CYBMUJFWSA-N -1 0 341.436 3.515 20 0 EHADRM O=C([N-]c1c(F)cccc1F)c1nc(-c2cc(F)ccc2F)no1 ZINC001212170479 1037765740 /nfs/dbraw/zinc/76/57/40/1037765740.db2.gz CETFFDYOSSJAJY-UHFFFAOYSA-N -1 0 337.232 3.545 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cccc3c4c([nH]c32)CCCC4)cc1 ZINC000212541461 1037817881 /nfs/dbraw/zinc/81/78/81/1037817881.db2.gz OOVUYFDQNULCBZ-UHFFFAOYSA-N -1 0 334.375 3.997 20 0 EHADRM Cc1cc2cc(C(=O)N=c3[n-]nc(C(C)(C)C)s3)oc2cc1C ZINC000463177195 1037833765 /nfs/dbraw/zinc/83/37/65/1037833765.db2.gz JIEUAGLLMTWLIY-UHFFFAOYSA-N -1 0 329.425 3.873 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)CCc2cc(Cl)cs2)c2ccccc21 ZINC000669434964 1037846120 /nfs/dbraw/zinc/84/61/20/1037846120.db2.gz OKMMPPPWKSDLAZ-AWEZNQCLSA-N -1 0 349.839 3.939 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)CCc2cccc(F)c2F)c2ccccc21 ZINC000669436057 1037864708 /nfs/dbraw/zinc/86/47/08/1037864708.db2.gz WWVWLEMVXQWUNS-AWEZNQCLSA-N -1 0 345.345 3.503 20 0 EHADRM CCC1(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)CCC(F)(F)CC1 ZINC000659144253 1037898899 /nfs/dbraw/zinc/89/88/99/1037898899.db2.gz DDJHTYICJCYFKE-CYBMUJFWSA-N -1 0 331.403 3.696 20 0 EHADRM CCCOc1ccccc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000183349552 1037942752 /nfs/dbraw/zinc/94/27/52/1037942752.db2.gz ULULVKFILODWGP-UHFFFAOYSA-N -1 0 325.286 3.851 20 0 EHADRM Cc1ccc(-c2n[n-]c(=NCc3cccc(OC(C)C)c3)o2)s1 ZINC000463250923 1037955006 /nfs/dbraw/zinc/95/50/06/1037955006.db2.gz QBWRXMWDURTLGJ-UHFFFAOYSA-N -1 0 329.425 3.928 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)c2cc(F)c(F)c([O-])c2F)c(C)c1 ZINC000183591769 1037955319 /nfs/dbraw/zinc/95/53/19/1037955319.db2.gz RELOAORIFKISLI-LLVKDONJSA-N -1 0 337.341 3.787 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)CC(C)(C)C(=O)[O-] ZINC000573954344 1037975353 /nfs/dbraw/zinc/97/53/53/1037975353.db2.gz CLFUZENJYYFKTF-VIFPVBQESA-N -1 0 332.227 3.542 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1C ZINC000540496931 1038015931 /nfs/dbraw/zinc/01/59/31/1038015931.db2.gz RPDVMYGXPQHWGR-VIFPVBQESA-N -1 0 345.827 3.756 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccccc2-c2ccccc2)CC[C@H]1C(=O)[O-] ZINC000327682705 1038037979 /nfs/dbraw/zinc/03/79/79/1038037979.db2.gz OEHKGASHYUKAQS-GDBMZVCRSA-N -1 0 338.407 3.928 20 0 EHADRM CCC[C@@H](NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C1CCC1 ZINC001299213208 1038115957 /nfs/dbraw/zinc/11/59/57/1038115957.db2.gz QUGYXOLSIOBYRA-OAHLLOKOSA-N -1 0 347.846 3.930 20 0 EHADRM CC(C)CN(C(=O)c1cc(F)cc(Br)c1[O-])C(C)C ZINC000416142973 1038212908 /nfs/dbraw/zinc/21/29/08/1038212908.db2.gz FCINWBFUYDNRCD-UHFFFAOYSA-N -1 0 332.213 3.800 20 0 EHADRM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(C(F)(F)F)s1 ZINC000461348989 1038343794 /nfs/dbraw/zinc/34/37/94/1038343794.db2.gz VVEULOHERCVRFT-UHFFFAOYSA-N -1 0 325.308 3.707 20 0 EHADRM CC(C)Cc1n[n-]c(=NCc2csc(-c3ccccc3)n2)s1 ZINC000538608530 1038432782 /nfs/dbraw/zinc/43/27/82/1038432782.db2.gz TVSRDBSTWFUXDZ-UHFFFAOYSA-N -1 0 330.482 3.894 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(COC3CCCC3)cc2)o1 ZINC000539118579 1038694527 /nfs/dbraw/zinc/69/45/27/1038694527.db2.gz PIZDDECBSZGHGR-UHFFFAOYSA-N -1 0 335.425 3.848 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000431888720 1038785919 /nfs/dbraw/zinc/78/59/19/1038785919.db2.gz YLBULAHGBXDSGW-OAHLLOKOSA-N -1 0 347.455 3.730 20 0 EHADRM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000910302167 1038817112 /nfs/dbraw/zinc/81/71/12/1038817112.db2.gz DLJBZYBNQHFKTJ-BZUAXINKSA-N -1 0 347.459 3.520 20 0 EHADRM C[C@H](c1ccc(C(=O)N[C@@](C)(CC(=O)[O-])C2CC2)cc1)C(F)(F)F ZINC000910320389 1038823190 /nfs/dbraw/zinc/82/31/90/1038823190.db2.gz XVEIDNAFZBCWQG-HWPZZCPQSA-N -1 0 343.345 3.726 20 0 EHADRM Cc1ccc([C@H](NCc2noc(C3CCCCC3)n2)C(=O)[O-])cc1C ZINC000905381926 1038837505 /nfs/dbraw/zinc/83/75/05/1038837505.db2.gz SWNDCDVXHONNME-KRWDZBQOSA-N -1 0 343.427 3.650 20 0 EHADRM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)C1(Cc3cccs3)CCCCC1)C2 ZINC000910342047 1038839876 /nfs/dbraw/zinc/83/98/76/1038839876.db2.gz VUNQSARKYAMOTI-TYILLQQXSA-N -1 0 347.480 3.611 20 0 EHADRM Cc1nc(C2CCN(C(=O)/C=C3/CC[C@H](C)C3)CC2)sc1C(=O)[O-] ZINC000910358070 1038854466 /nfs/dbraw/zinc/85/44/66/1038854466.db2.gz QDCHLKRVZKRBFF-KBICQTFXSA-N -1 0 348.468 3.602 20 0 EHADRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)cc1C ZINC000539399131 1038891853 /nfs/dbraw/zinc/89/18/53/1038891853.db2.gz PNSZYWWMSKOCKK-LBPRGKRZSA-N -1 0 339.436 3.719 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)s1 ZINC000479959129 1038928070 /nfs/dbraw/zinc/92/80/70/1038928070.db2.gz DFJAOEITNOHPGL-CZUORRHYSA-N -1 0 344.484 3.918 20 0 EHADRM CCC[C@H](C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])c1ccccn1 ZINC000910504193 1038952653 /nfs/dbraw/zinc/95/26/53/1038952653.db2.gz OGAJYKBPHTUAGB-HNNXBMFYSA-N -1 0 334.460 3.561 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N2CCC[C@H](c3ccccc3)C2)s1 ZINC000432739459 1038975067 /nfs/dbraw/zinc/97/50/67/1038975067.db2.gz QXEHFGARTGQNQC-HNNXBMFYSA-N -1 0 344.484 3.714 20 0 EHADRM Cc1cc(C)cc(N(C)C(=O)c2[n-]cnc2C(=O)c2ccccc2)c1 ZINC000485370114 1038978556 /nfs/dbraw/zinc/97/85/56/1038978556.db2.gz AMYFCKFZBWNBRG-UHFFFAOYSA-N -1 0 333.391 3.534 20 0 EHADRM COc1cccc(CNc2cccc(C(=O)[O-])c2OC(C)C)c1OC ZINC000485390806 1038991501 /nfs/dbraw/zinc/99/15/01/1038991501.db2.gz VSTLNEALVUJIJJ-UHFFFAOYSA-N -1 0 345.395 3.801 20 0 EHADRM COc1nc(C(F)(F)F)ccc1-c1ccc(F)c(CCC(=O)[O-])c1 ZINC000580330209 1039004092 /nfs/dbraw/zinc/00/40/92/1039004092.db2.gz CCYPGDVCWPCHIS-UHFFFAOYSA-N -1 0 343.276 3.932 20 0 EHADRM Cc1cc(C(=O)Nc2cc(C)n(C3CCCCC3)n2)oc1C(=O)[O-] ZINC000910666387 1039011273 /nfs/dbraw/zinc/01/12/73/1039011273.db2.gz UREANDFUADOFLZ-UHFFFAOYSA-N -1 0 331.372 3.549 20 0 EHADRM Cc1ccc(SC2(C(=O)N[C@@H](C)CCC(=O)[O-])CCCC2)cc1 ZINC000237497936 1039022248 /nfs/dbraw/zinc/02/22/48/1039022248.db2.gz QOGFIWWHTBNYFJ-AWEZNQCLSA-N -1 0 335.469 3.769 20 0 EHADRM CC(C)c1sc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)nc1C(=O)[O-] ZINC000910696143 1039026039 /nfs/dbraw/zinc/02/60/39/1039026039.db2.gz CJSGOBFFUDNJGK-VXGBXAGGSA-N -1 0 348.399 3.846 20 0 EHADRM O=S(=O)([N-]c1nc2c(s1)CCCCCC2)c1ccccc1F ZINC000195638790 1039060092 /nfs/dbraw/zinc/06/00/92/1039060092.db2.gz DTTFGDMSBLULDS-UHFFFAOYSA-N -1 0 340.445 3.742 20 0 EHADRM Cc1cc(C(=O)NC2CC(CC(=O)[O-])C2)c(C)n1C1CCCCC1 ZINC000910812003 1039088204 /nfs/dbraw/zinc/08/82/04/1039088204.db2.gz BMYHCYLGGXAHSY-UHFFFAOYSA-N -1 0 332.444 3.593 20 0 EHADRM C[C@@H](C(=O)NCC(C)(C)CC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000910820741 1039094754 /nfs/dbraw/zinc/09/47/54/1039094754.db2.gz IPXTVVBQPCZBPY-SECBINFHSA-N -1 0 332.227 3.714 20 0 EHADRM Cc1ccc(C)c(SCC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000325467806 1039096294 /nfs/dbraw/zinc/09/62/94/1039096294.db2.gz SQLHRRNZWSPUJR-OAHLLOKOSA-N -1 0 349.496 3.745 20 0 EHADRM C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(CC(=O)[O-])c1 ZINC000910934763 1039143151 /nfs/dbraw/zinc/14/31/51/1039143151.db2.gz BJHLMQQIUSSADM-DNVCBOLYSA-N -1 0 337.419 3.722 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)CCSCc1ccccn1 ZINC000910963421 1039162326 /nfs/dbraw/zinc/16/23/26/1039162326.db2.gz ZDYHEOJSVQKRAJ-UHFFFAOYSA-N -1 0 344.436 3.604 20 0 EHADRM CSc1ccc(NC(=O)c2ccc(C3CC3)nc2C)cc1C(=O)[O-] ZINC000910946397 1039166724 /nfs/dbraw/zinc/16/67/24/1039166724.db2.gz NWONMAZFZIJGAZ-UHFFFAOYSA-N -1 0 342.420 3.940 20 0 EHADRM CCN(C(=O)c1ccc(COC(C)C)cc1)c1cccc(C(=O)[O-])c1 ZINC000910972336 1039174424 /nfs/dbraw/zinc/17/44/24/1039174424.db2.gz VRYJLHMHXQGEGG-UHFFFAOYSA-N -1 0 341.407 3.977 20 0 EHADRM CCCC[C@H](CC)CC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)CC1 ZINC000911019742 1039186180 /nfs/dbraw/zinc/18/61/80/1039186180.db2.gz STDLSPOOMMOSAY-LBPRGKRZSA-N -1 0 337.382 3.849 20 0 EHADRM CCCC[C@@H](CC)CC(=O)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC000911036411 1039208307 /nfs/dbraw/zinc/20/83/07/1039208307.db2.gz YHIUGDSPABPNBK-OLZOCXBDSA-N -1 0 338.473 3.764 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000554333021 1039229168 /nfs/dbraw/zinc/22/91/68/1039229168.db2.gz KLOSZYBPTRFQPN-XYPHTWIQSA-N -1 0 333.428 3.801 20 0 EHADRM CCNc1ccc(C(=O)[O-])cc1NC(=O)CC(C)(C)CC(F)F ZINC000911085099 1039237310 /nfs/dbraw/zinc/23/73/10/1039237310.db2.gz YYINPOCWVACEOM-UHFFFAOYSA-N -1 0 328.359 3.827 20 0 EHADRM C[C@@H](N=c1[n-]nc(C2CCOCC2)s1)c1ccc(C2CC2)cc1 ZINC000419009865 1039254921 /nfs/dbraw/zinc/25/49/21/1039254921.db2.gz WVDWRSXJSATOAR-GFCCVEGCSA-N -1 0 329.469 3.905 20 0 EHADRM C[C@@H]1c2ccsc2CCN1C(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000324202440 1039271169 /nfs/dbraw/zinc/27/11/69/1039271169.db2.gz SXKMEUMNKLSKMP-BFUOFWGJSA-N -1 0 343.448 3.626 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(-c3cccc(F)c3)s2)CC[C@@H]1C(=O)[O-] ZINC000634534066 1039284039 /nfs/dbraw/zinc/28/40/39/1039284039.db2.gz ZXRWVHMYAXVNIF-RISCZKNCSA-N -1 0 347.411 3.737 20 0 EHADRM C/C=C(/CC)C(=O)N(Cc1ccoc1C(=O)[O-])[C@H](C)c1ccccn1 ZINC000911332175 1039323345 /nfs/dbraw/zinc/32/33/45/1039323345.db2.gz XGRRMHUORUSTHC-TYBUVKLMSA-N -1 0 342.395 3.819 20 0 EHADRM O=C([O-])C1CCC(CC(=O)Nc2c(F)cccc2N2CCCC2)CC1 ZINC000911327770 1039324078 /nfs/dbraw/zinc/32/40/78/1039324078.db2.gz PGKQQUFVZXQTPJ-UHFFFAOYSA-N -1 0 348.418 3.646 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1cc(F)ccc1N1CCCCC1 ZINC000911334848 1039326063 /nfs/dbraw/zinc/32/60/63/1039326063.db2.gz FYWOLKVEPYNDCA-UHFFFAOYSA-N -1 0 346.358 3.668 20 0 EHADRM Cn1ccc2c1cccc2NC(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000911335237 1039327076 /nfs/dbraw/zinc/32/70/76/1039327076.db2.gz LVOIWIMQHDECCX-UHFFFAOYSA-N -1 0 326.396 3.542 20 0 EHADRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000552509719 1039329799 /nfs/dbraw/zinc/32/97/99/1039329799.db2.gz DNICVHDLKRFMLU-ZDUSSCGKSA-N -1 0 347.436 3.518 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]c1cc(F)ccc1OCC1CC1 ZINC000480231489 1039333601 /nfs/dbraw/zinc/33/36/01/1039333601.db2.gz RYCKIZIWMQBUFT-UHFFFAOYSA-N -1 0 335.400 3.724 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)CCCc1cc(Cl)sc1Cl ZINC000237384215 1039354204 /nfs/dbraw/zinc/35/42/04/1039354204.db2.gz FLVIXHZJPONVHR-MRVPVSSYSA-N -1 0 338.256 3.747 20 0 EHADRM COc1ccc(CSC)cc1-c1ccc(-n2[n-]c(C)cc2=O)nc1 ZINC000906195020 1039399570 /nfs/dbraw/zinc/39/95/70/1039399570.db2.gz UOIIASJPOXYXFR-UHFFFAOYSA-N -1 0 341.436 3.733 20 0 EHADRM O=C(N[C@H](c1ccccc1)C1CCOCC1)c1cc(F)c([O-])c(F)c1 ZINC000364016420 1039406467 /nfs/dbraw/zinc/40/64/67/1039406467.db2.gz SNHLVVMAANOPMR-QGZVFWFLSA-N -1 0 347.361 3.568 20 0 EHADRM Cc1coc(-c2cc(NC(=O)CC(C)(C)CC(=O)[O-])ccc2C)n1 ZINC000911571777 1039418513 /nfs/dbraw/zinc/41/85/13/1039418513.db2.gz FVWNREBJFJWCNY-UHFFFAOYSA-N -1 0 330.384 3.788 20 0 EHADRM O=C([O-])c1cc(-c2cc(F)ccc2OC[C@@H]2CCCCO2)ccn1 ZINC000906241269 1039425496 /nfs/dbraw/zinc/42/54/96/1039425496.db2.gz SMQJEXXHFIGOIT-AWEZNQCLSA-N -1 0 331.343 3.534 20 0 EHADRM CO[C@@H](C(=O)[O-])c1ccc(-c2ccc(O[C@H]3CCOC3)c(C)c2)s1 ZINC000906240788 1039425764 /nfs/dbraw/zinc/42/57/64/1039425764.db2.gz FNEKVSSJASTYQU-SUMWQHHRSA-N -1 0 348.420 3.663 20 0 EHADRM CO[C@H](C(=O)[O-])c1ccc(-c2ccc(O[C@H]3CCOC3)c(C)c2)s1 ZINC000906240787 1039425858 /nfs/dbraw/zinc/42/58/58/1039425858.db2.gz FNEKVSSJASTYQU-GUYCJALGSA-N -1 0 348.420 3.663 20 0 EHADRM Cc1cc(F)c(NC(=O)CC2CC(OC(C)(C)C)C2)cc1C(=O)[O-] ZINC000911686299 1039459977 /nfs/dbraw/zinc/45/99/77/1039459977.db2.gz IQXDZKUDEGBBTP-UHFFFAOYSA-N -1 0 337.391 3.755 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)[C@H]2SCCc3ccccc32)cc1 ZINC000237951014 1039461563 /nfs/dbraw/zinc/46/15/63/1039461563.db2.gz VKHROJBISMFVGH-HKMNZKMDSA-N -1 0 339.416 3.754 20 0 EHADRM Cc1ccc2sc(CNC(=O)CC3CCC(C(=O)[O-])CC3)nc2c1 ZINC000911802629 1039517970 /nfs/dbraw/zinc/51/79/70/1039517970.db2.gz CANKNTYFPQECOQ-UHFFFAOYSA-N -1 0 346.452 3.502 20 0 EHADRM CCC[C@@](C)(NC(=O)N[C@@H](C)c1oc2ccccc2c1C)C(=O)[O-] ZINC000554601382 1039525745 /nfs/dbraw/zinc/52/57/45/1039525745.db2.gz CAFHDFQHUVZZDQ-KPZWWZAWSA-N -1 0 332.400 3.745 20 0 EHADRM COCc1n[n-]c(=N[C@@H]2C[C@H]3CCC(C)(C)c4cccc2c43)s1 ZINC000345078100 1039625610 /nfs/dbraw/zinc/62/56/10/1039625610.db2.gz IUVJJGZCGTVDNY-BXUZGUMPSA-N -1 0 329.469 3.818 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2cccc(Cl)c2F)c(C)cc1C ZINC000478728086 1039671765 /nfs/dbraw/zinc/67/17/65/1039671765.db2.gz ZEKRVVGQQLWESA-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM CC[C@H](CC(F)F)C(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000410721192 1039673519 /nfs/dbraw/zinc/67/35/19/1039673519.db2.gz VNVFUSAPTZRCMY-MRVPVSSYSA-N -1 0 331.413 3.617 20 0 EHADRM CC[C@@H](CC(F)F)C(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000410721193 1039674320 /nfs/dbraw/zinc/67/43/20/1039674320.db2.gz VNVFUSAPTZRCMY-QMMMGPOBSA-N -1 0 331.413 3.617 20 0 EHADRM CC[C@H]1[C@@H](C)CCN1C(=O)N=c1[n-]nc(Cc2ccc(C)cc2)s1 ZINC000480550401 1039674608 /nfs/dbraw/zinc/67/46/08/1039674608.db2.gz DZLGYYKKNSBZEH-ZFWWWQNUSA-N -1 0 344.484 3.512 20 0 EHADRM Cc1cc(NC(=O)CCn2ccc3ccccc32)cc(C(=O)[O-])c1C ZINC000485941740 1039705158 /nfs/dbraw/zinc/70/51/58/1039705158.db2.gz QFNIQUNLRWZRQY-UHFFFAOYSA-N -1 0 336.391 3.985 20 0 EHADRM C[C@](CC(=O)N1CCC[C@@H]1c1ccsc1)(C(=O)[O-])c1ccccc1 ZINC000324586517 1039711073 /nfs/dbraw/zinc/71/10/73/1039711073.db2.gz CKGFAPNZGRFZRB-VQIMIIECSA-N -1 0 343.448 3.844 20 0 EHADRM Cc1ccc(C(=O)N=c2[n-]nc(-c3c(F)cccc3Cl)s2)cc1 ZINC000478782339 1039718597 /nfs/dbraw/zinc/71/85/97/1039718597.db2.gz AIWHTEMCLGKWRK-UHFFFAOYSA-N -1 0 347.802 3.980 20 0 EHADRM Clc1csc(CN=c2[n-]nc(CCCc3ccccc3)o2)c1 ZINC000485974249 1039741203 /nfs/dbraw/zinc/74/12/03/1039741203.db2.gz NKBJYDKMDPSLCU-UHFFFAOYSA-N -1 0 333.844 3.994 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCCc1ccc(Cl)cc1 ZINC000478835620 1039744309 /nfs/dbraw/zinc/74/43/09/1039744309.db2.gz HHDAMURPGXTJAK-UAGQMJEPSA-N -1 0 349.858 3.907 20 0 EHADRM COc1ccc(C(=O)Nc2cc(F)cc(Cl)c2[O-])c(C)c1OC ZINC000553131691 1039782717 /nfs/dbraw/zinc/78/27/17/1039782717.db2.gz YUZOKMAYAYLDSA-UHFFFAOYSA-N -1 0 339.750 3.763 20 0 EHADRM CN(CCc1cccc2ccccc21)C(=O)c1s[n-]c(=O)c1Cl ZINC000549755894 1039788193 /nfs/dbraw/zinc/78/81/93/1039788193.db2.gz NCBPLDJOVSTFBN-UHFFFAOYSA-N -1 0 346.839 3.970 20 0 EHADRM Cc1cc(-c2nc(C3CC3)no2)ccc1NC1CCC(C(=O)[O-])CC1 ZINC000570421655 1039829579 /nfs/dbraw/zinc/82/95/79/1039829579.db2.gz OSQPQYQLRNSQMT-UHFFFAOYSA-N -1 0 341.411 3.978 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2C)o1 ZINC000473409202 1039962425 /nfs/dbraw/zinc/96/24/25/1039962425.db2.gz ILJPMDFMKGVBDF-UHFFFAOYSA-N -1 0 348.193 3.599 20 0 EHADRM CN(C[C@H]1CC=CCC1)C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000584819433 1039970782 /nfs/dbraw/zinc/97/07/82/1039970782.db2.gz CKUFOIVUSLMLBY-NSHDSACASA-N -1 0 334.470 3.509 20 0 EHADRM Cc1cnc(CN[C@]2(C(=O)[O-])C[C@H](C(C)C)c3ccccc32)s1 ZINC000417561671 1039986389 /nfs/dbraw/zinc/98/63/89/1039986389.db2.gz BEEACWJKBMMUIH-RDTXWAMCSA-N -1 0 330.453 3.665 20 0 EHADRM Fc1cccc([C@H]2CC[C@@H](N=c3[n-]nc(-c4ccccn4)s3)C2)c1 ZINC000480783170 1040004209 /nfs/dbraw/zinc/00/42/09/1040004209.db2.gz BOFVTRPJWVQSMG-DZGCQCFKSA-N -1 0 340.427 3.909 20 0 EHADRM CCCCCS(=O)(=O)[N-][C@H](c1ccc(F)cc1)C(F)(F)F ZINC000480775831 1040015345 /nfs/dbraw/zinc/01/53/45/1040015345.db2.gz CWNYZJNKKHNROW-GFCCVEGCSA-N -1 0 327.343 3.539 20 0 EHADRM Cc1cccc([C@H](NCc2ncc(C(C)(C)C)s2)C(=O)[O-])c1C ZINC000417568591 1040019985 /nfs/dbraw/zinc/01/99/85/1040019985.db2.gz UIAUUTPVDAUTLP-INIZCTEOSA-N -1 0 332.469 3.973 20 0 EHADRM Cc1c(F)cccc1-c1ccc(CN[C@@H](COC(C)(C)C)C(=O)[O-])o1 ZINC000417596186 1040050692 /nfs/dbraw/zinc/05/06/92/1040050692.db2.gz KVJOGLACAVVZCD-INIZCTEOSA-N -1 0 349.402 3.752 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(CN[C@@H](CC(F)F)C(=O)[O-])o1 ZINC000417597672 1040052208 /nfs/dbraw/zinc/05/22/08/1040052208.db2.gz VAIRASKTEXFHDC-ZDUSSCGKSA-N -1 0 327.302 3.592 20 0 EHADRM CCc1nn(C)c(CC)c1CNc1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000417605605 1040057608 /nfs/dbraw/zinc/05/76/08/1040057608.db2.gz BPSRIQUMOJYMFN-ZDUSSCGKSA-N -1 0 329.444 3.735 20 0 EHADRM C[C@H](CC(=O)[O-])c1ccc(NCc2cn(C)nc2C(C)(C)C)cc1 ZINC000417614408 1040084570 /nfs/dbraw/zinc/08/45/70/1040084570.db2.gz VOXUQAJVQOUCTC-CYBMUJFWSA-N -1 0 329.444 3.908 20 0 EHADRM CC(=O)Nc1ccc(CNc2ccc([C@@H](C)CC(=O)[O-])cc2)cc1 ZINC000417615929 1040086707 /nfs/dbraw/zinc/08/67/07/1040086707.db2.gz YKGMIZKBKUYQLX-ZDUSSCGKSA-N -1 0 326.396 3.835 20 0 EHADRM COc1ccc(CNc2ccc(C(C)(C)C(=O)[O-])cc2)c(OC)c1 ZINC000417628109 1040104159 /nfs/dbraw/zinc/10/41/59/1040104159.db2.gz QEYWFQGMTPEYFE-UHFFFAOYSA-N -1 0 329.396 3.678 20 0 EHADRM Cc1ccc(C[C@H](NCc2ncc(C(C)(C)C)s2)C(=O)[O-])cc1C ZINC000417645781 1040106733 /nfs/dbraw/zinc/10/67/33/1040106733.db2.gz BTJWZQRJNYXKGT-HNNXBMFYSA-N -1 0 346.496 3.843 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NCc2ncc(C(F)(F)F)s2)c2ccccc21 ZINC000417628966 1040107780 /nfs/dbraw/zinc/10/77/80/1040107780.db2.gz PQYLBXQIWHEOCE-GHMZBOCLSA-N -1 0 342.342 3.565 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1cc(-n2cccc2)ccc1Cl ZINC000907710082 1040138504 /nfs/dbraw/zinc/13/85/04/1040138504.db2.gz IUWBXIODPWHKDE-YJBOKZPZSA-N -1 0 346.814 3.504 20 0 EHADRM FC(F)(F)c1nc(=NCc2ccccc2N2CCCCC2)s[n-]1 ZINC000553516577 1040143345 /nfs/dbraw/zinc/14/33/45/1040143345.db2.gz OFZYKTGVBSJTKU-UHFFFAOYSA-N -1 0 342.390 3.581 20 0 EHADRM Cc1ccc(F)c2oc(C(=O)N3CC[C@H](C(=O)[O-])[C@H]4CCC[C@H]43)cc21 ZINC000907735009 1040150704 /nfs/dbraw/zinc/15/07/04/1040150704.db2.gz DTPSJNQFXUZKFM-TYNCELHUSA-N -1 0 345.370 3.596 20 0 EHADRM c1ccc(C2(CN=c3[n-]nc(C4CCOCC4)s3)CCCC2)cc1 ZINC000555120576 1040172201 /nfs/dbraw/zinc/17/22/01/1040172201.db2.gz WRMGNXZAUFPEDG-UHFFFAOYSA-N -1 0 343.496 3.778 20 0 EHADRM CO[C@@H](C)c1cccc(NC(=O)N(C)C2(C(=O)[O-])CCCCC2)c1 ZINC000584877195 1040201923 /nfs/dbraw/zinc/20/19/23/1040201923.db2.gz VYVGRKOYOYQAPO-ZDUSSCGKSA-N -1 0 334.416 3.645 20 0 EHADRM Cc1cc(N2CCCCCC2)ccc1NC(=O)N(C)CCCC(=O)[O-] ZINC000417769324 1040226024 /nfs/dbraw/zinc/22/60/24/1040226024.db2.gz DHCSOAKSPHNODG-UHFFFAOYSA-N -1 0 347.459 3.704 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)c3cc4cc(Cl)ccc4s3)[C@@H]2C1 ZINC000907946496 1040240039 /nfs/dbraw/zinc/24/00/39/1040240039.db2.gz RZSAYMFOSOJDEZ-DXLKZPDWSA-N -1 0 349.839 3.784 20 0 EHADRM Cc1cc(C(=O)N2CCc3c2cccc3C(=O)[O-])c(C(F)(F)F)o1 ZINC000907982905 1040258017 /nfs/dbraw/zinc/25/80/17/1040258017.db2.gz NZMQIIHJOWSUDM-UHFFFAOYSA-N -1 0 339.269 3.508 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)c1[nH]c2ccc(F)cc2c1Cl ZINC000908023470 1040267114 /nfs/dbraw/zinc/26/71/14/1040267114.db2.gz HJDFWWZEAFTFKE-NSHDSACASA-N -1 0 340.782 3.580 20 0 EHADRM Cc1nc(-c2ccc(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)cc2)cs1 ZINC000908028741 1040268615 /nfs/dbraw/zinc/26/86/15/1040268615.db2.gz FCDHEUXFSRHRHL-HNNXBMFYSA-N -1 0 346.452 3.738 20 0 EHADRM FC(F)(F)CN=c1[n-]nc(SCc2cc3ccccc3o2)s1 ZINC000486599993 1040272781 /nfs/dbraw/zinc/27/27/81/1040272781.db2.gz HKDSBWDVFWFPRS-UHFFFAOYSA-N -1 0 345.371 3.973 20 0 EHADRM CCSc1ccccc1CC(=O)N(C)c1cccc(CC(=O)[O-])c1 ZINC000908085545 1040280397 /nfs/dbraw/zinc/28/03/97/1040280397.db2.gz NGCKWNYAQSEXAA-UHFFFAOYSA-N -1 0 343.448 3.631 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)N(C)c1cccc(CC(=O)[O-])c1 ZINC000908077515 1040287413 /nfs/dbraw/zinc/28/74/13/1040287413.db2.gz JQENYLFNRNBKQB-CQSZACIVSA-N -1 0 343.448 3.598 20 0 EHADRM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C3(C)CCCC3)on2)cc1 ZINC000432968247 1040288593 /nfs/dbraw/zinc/28/85/93/1040288593.db2.gz WMLTYQAIBUKJHA-UHFFFAOYSA-N -1 0 348.424 3.510 20 0 EHADRM C[C@H](CC(=O)N(C)c1cccc(CC(=O)[O-])c1)c1cccc(F)c1 ZINC000908079917 1040290349 /nfs/dbraw/zinc/29/03/49/1040290349.db2.gz LUNXQWWFSLJXNV-CYBMUJFWSA-N -1 0 329.371 3.609 20 0 EHADRM Cc1ccc(-c2cccc(CN=c3[n-]ncn3-c3cccnc3)c2)cc1 ZINC000490028296 1040296430 /nfs/dbraw/zinc/29/64/30/1040296430.db2.gz GUUJQTLCILEHBI-UHFFFAOYSA-N -1 0 341.418 3.672 20 0 EHADRM Cc1cc2cc[nH]c2cc1NC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000899313600 1040312518 /nfs/dbraw/zinc/31/25/18/1040312518.db2.gz NPCCSXXACUMMLN-CQSZACIVSA-N -1 0 329.400 3.728 20 0 EHADRM CC(C)c1ccc(SCC(=O)NC[C@@H](CC(=O)[O-])C2CC2)cc1 ZINC000659206992 1040322500 /nfs/dbraw/zinc/32/25/00/1040322500.db2.gz PMMSUSLOIFYLCG-OAHLLOKOSA-N -1 0 335.469 3.519 20 0 EHADRM O=C([O-])C1(CNC(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 ZINC000166958166 1040333777 /nfs/dbraw/zinc/33/37/77/1040333777.db2.gz IXBVVDLUWBPXTB-UHFFFAOYSA-N -1 0 344.219 3.803 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)c1ccnc(NC2CCC2)c1 ZINC000908188242 1040342283 /nfs/dbraw/zinc/34/22/83/1040342283.db2.gz SNOJQKFGQHZVBZ-UHFFFAOYSA-N -1 0 335.766 3.796 20 0 EHADRM COc1cccc(O)c1C(=O)N(C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000908247361 1040369631 /nfs/dbraw/zinc/36/96/31/1040369631.db2.gz RBXITHNOXKZSAE-PHIMTYICSA-N -1 0 331.334 3.594 20 0 EHADRM O=c1c(C(F)(F)F)c(C2CC2)[n-]n1-c1ccc(OC(F)F)cc1 ZINC000899350233 1040371937 /nfs/dbraw/zinc/37/19/37/1040371937.db2.gz XBXCSXOLBJELPF-JTQLQIEISA-N -1 0 334.244 3.579 20 0 EHADRM O=C([O-])CCC(=O)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2 ZINC000553729863 1040386158 /nfs/dbraw/zinc/38/61/58/1040386158.db2.gz KYFNKURWXRMGNJ-UHFFFAOYSA-N -1 0 342.439 3.871 20 0 EHADRM Cc1ccc(C(=O)NCCCCC2(C(=O)[O-])CCC2)c2ncccc12 ZINC000908327719 1040410809 /nfs/dbraw/zinc/41/08/09/1040410809.db2.gz FKJWBZZVBWINFP-UHFFFAOYSA-N -1 0 340.423 3.698 20 0 EHADRM CC[C@@H](NC(=O)/C=C/c1cc(C)n(C2CCCCC2)c1C)C(=O)[O-] ZINC000236955620 1040412307 /nfs/dbraw/zinc/41/23/07/1040412307.db2.gz RCGYMTXJADDLRM-SXSDINLZSA-N -1 0 332.444 3.603 20 0 EHADRM C/C(=C\C(=O)Nc1ccc(-n2[n-]c(C3CC3)cc2=O)nc1)C(C)(C)C ZINC000912864629 1040420979 /nfs/dbraw/zinc/42/09/79/1040420979.db2.gz UELKNKBURIEMKF-FMIVXFBMSA-N -1 0 340.427 3.515 20 0 EHADRM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1 ZINC000908381993 1040425801 /nfs/dbraw/zinc/42/58/01/1040425801.db2.gz GKRPTMLIBBOZHU-HRCADAONSA-N -1 0 346.471 3.825 20 0 EHADRM COc1c(NC(=O)C2CCC(C(F)(F)F)CC2)cccc1C(=O)[O-] ZINC000908502113 1040495430 /nfs/dbraw/zinc/49/54/30/1040495430.db2.gz UNUSBYCDLMTHQO-UHFFFAOYSA-N -1 0 345.317 3.701 20 0 EHADRM Cc1cc(Nc2ccc(S(=O)(=O)C(C)C)cc2)ccc1C(=O)[O-] ZINC001211654978 1040520804 /nfs/dbraw/zinc/52/08/04/1040520804.db2.gz IIGYTQLOMOQASO-UHFFFAOYSA-N -1 0 333.409 3.619 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)C2(Cc3cccs3)CCCCC2)C1 ZINC000908599097 1040526697 /nfs/dbraw/zinc/52/66/97/1040526697.db2.gz OLZDXJLWZFYPLL-CQSZACIVSA-N -1 0 335.469 3.564 20 0 EHADRM CC(C)=CC[C@@H](NC(=O)Nc1cccc(CC(F)(F)F)c1)C(=O)[O-] ZINC000908625286 1040537759 /nfs/dbraw/zinc/53/77/59/1040537759.db2.gz GPYACFGZGGBDQW-CYBMUJFWSA-N -1 0 344.333 3.722 20 0 EHADRM CC[C@@H](NC(=O)N=c1[n-]nc(/C=C/c2ccco2)s1)C(C)(C)C ZINC000486915401 1040541831 /nfs/dbraw/zinc/54/18/31/1040541831.db2.gz GCNPLLLBHLUREG-IDVQTMNDSA-N -1 0 334.445 3.670 20 0 EHADRM O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000908616450 1040547726 /nfs/dbraw/zinc/54/77/26/1040547726.db2.gz FAJCGNLLJLOIPK-JQHSSLGASA-N -1 0 336.391 3.823 20 0 EHADRM O=C(N=c1cc(C(F)(F)F)[n-][nH]1)c1ccccc1Cc1ccccc1 ZINC000479717626 1040569023 /nfs/dbraw/zinc/56/90/23/1040569023.db2.gz STKFLDXXVAZWKD-UHFFFAOYSA-N -1 0 345.324 3.694 20 0 EHADRM Cc1nc(NC(=O)N(CC(=O)[O-])C2CCC2)ccc1-c1ccccc1 ZINC000908675999 1040586313 /nfs/dbraw/zinc/58/63/13/1040586313.db2.gz UVBPQGXFDOODHL-UHFFFAOYSA-N -1 0 339.395 3.528 20 0 EHADRM CCCCOc1ccc(OC)cc1NC(=O)c1oc(C(=O)[O-])cc1C ZINC000908718283 1040588482 /nfs/dbraw/zinc/58/84/82/1040588482.db2.gz UXTLZLYAZSKMPH-UHFFFAOYSA-N -1 0 347.367 3.726 20 0 EHADRM COc1cccc(Cc2n[n-]c(=NCc3cc(C)c(C)cc3C)o2)c1 ZINC000479776538 1040595411 /nfs/dbraw/zinc/59/54/11/1040595411.db2.gz HSOQVCZVCWASIB-UHFFFAOYSA-N -1 0 337.423 3.628 20 0 EHADRM Cc1ncc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)s1 ZINC000337875954 1040625833 /nfs/dbraw/zinc/62/58/33/1040625833.db2.gz UMUVQWPOQYBTDL-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000908788302 1040649349 /nfs/dbraw/zinc/64/93/49/1040649349.db2.gz YYBVSVVAMSXQPQ-IRXDYDNUSA-N -1 0 328.412 3.578 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000908788300 1040649633 /nfs/dbraw/zinc/64/96/33/1040649633.db2.gz YYBVSVVAMSXQPQ-DLBZAZTESA-N -1 0 328.412 3.578 20 0 EHADRM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1cccc(C(=O)[O-])c1 ZINC000553993374 1040650545 /nfs/dbraw/zinc/65/05/45/1040650545.db2.gz CWGQYNFMLWVYAR-UHFFFAOYSA-N -1 0 325.408 3.955 20 0 EHADRM CCc1n[n-]c(=NC(=O)N[C@@H](CC)c2ccc(Cl)s2)s1 ZINC000512736680 1040706014 /nfs/dbraw/zinc/70/60/14/1040706014.db2.gz WKZJKEJHFKQMFN-ZETCQYMHSA-N -1 0 330.866 3.510 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1ccc(F)c2ccccc12 ZINC000909031662 1040756938 /nfs/dbraw/zinc/75/69/38/1040756938.db2.gz CVLQWYKAYCDUAX-IBGZPJMESA-N -1 0 349.361 3.803 20 0 EHADRM O=C([O-])c1cc(Nc2cc(Br)cnc2F)ccc1F ZINC001175215440 1132597623 /nfs/dbraw/zinc/59/76/23/1132597623.db2.gz NXHBKOYNWZYPSK-UHFFFAOYSA-N -1 0 329.100 3.564 20 0 EHADRM O=C([N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1)[C@H]1CC12CCC2 ZINC000759815412 1040867007 /nfs/dbraw/zinc/86/70/07/1040867007.db2.gz QVQMJKBUUSCXFM-QGZVFWFLSA-N -1 0 347.480 3.729 20 0 EHADRM CCC1(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CCC(F)(F)CC1 ZINC000659158456 1040896862 /nfs/dbraw/zinc/89/68/62/1040896862.db2.gz CYLVXEWMSFGQAQ-UHFFFAOYSA-N -1 0 343.345 3.997 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000237011971 1040956246 /nfs/dbraw/zinc/95/62/46/1040956246.db2.gz OFAAWNKWTVIFHL-RTGRKSDTSA-N -1 0 339.391 3.889 20 0 EHADRM CSCc1cccc(CNC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC000909725196 1040966801 /nfs/dbraw/zinc/96/68/01/1040966801.db2.gz IZABBBYKBPSGRK-UHFFFAOYSA-N -1 0 347.480 3.591 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc3n[nH]cc3cc2C)sc1Cl ZINC000473479070 1040973723 /nfs/dbraw/zinc/97/37/23/1040973723.db2.gz NOLAJXQPLDBJCV-UHFFFAOYSA-N -1 0 341.845 3.695 20 0 EHADRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)CC(C)(C)CC(F)(F)F ZINC000909749355 1041002197 /nfs/dbraw/zinc/00/21/97/1041002197.db2.gz OUJZQWVULQFVLK-LBPRGKRZSA-N -1 0 345.361 3.857 20 0 EHADRM Cc1cc(Nc2ccc(Br)cc2CO)ccc1C(=O)[O-] ZINC001211657095 1041049376 /nfs/dbraw/zinc/04/93/76/1041049376.db2.gz ACBIZAMAOVMGEA-UHFFFAOYSA-N -1 0 336.185 3.692 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)CC(C)(C)CC(F)(F)F)n1 ZINC000909952020 1041079222 /nfs/dbraw/zinc/07/92/22/1041079222.db2.gz CBBKHGLZADUYJI-SNVBAGLBSA-N -1 0 349.353 3.616 20 0 EHADRM CC(C)c1csc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)n1 ZINC000261720899 1041083703 /nfs/dbraw/zinc/08/37/03/1041083703.db2.gz LXXSUZGXGQVWNW-UHFFFAOYSA-N -1 0 333.413 3.928 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc1 ZINC000652061645 1041089159 /nfs/dbraw/zinc/08/91/59/1041089159.db2.gz KKDVPUMBERKSRI-DLTLXFJOSA-N -1 0 345.464 3.643 20 0 EHADRM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000512837734 1041096992 /nfs/dbraw/zinc/09/69/92/1041096992.db2.gz KAUBWFMBOXKUBU-LLVKDONJSA-N -1 0 341.379 3.943 20 0 EHADRM CCOc1cccc(NC(=O)C[C@H](C(=O)[O-])c2ccc(C)cc2)c1 ZINC000899767831 1041098139 /nfs/dbraw/zinc/09/81/39/1041098139.db2.gz ZPJGZMCYNTVTBX-KRWDZBQOSA-N -1 0 327.380 3.591 20 0 EHADRM Cc1ccc(-c2cccnc2)cc1NC(=O)[C@H]1C[C@@]1(C(=O)[O-])C(C)C ZINC000899779004 1041102610 /nfs/dbraw/zinc/10/26/10/1041102610.db2.gz LZAPXTQPIVESRZ-OXQOHEQNSA-N -1 0 338.407 3.742 20 0 EHADRM COc1ccc(OC(C)C)c(NC(=O)[C@H](CC(=O)[O-])CC(C)C)c1 ZINC000899773220 1041110021 /nfs/dbraw/zinc/11/00/21/1041110021.db2.gz ZCAAUVKPAJPNAM-ZDUSSCGKSA-N -1 0 337.416 3.558 20 0 EHADRM Cc1ccc([C@@H](CC(=O)N[C@H](C)c2cccc(F)c2F)C(=O)[O-])cc1 ZINC000899775193 1041113045 /nfs/dbraw/zinc/11/30/45/1041113045.db2.gz KCRMXLUEBDZPGB-IUODEOHRSA-N -1 0 347.361 3.709 20 0 EHADRM Cc1ccc(Br)c(NC(=O)[C@H](CC(=O)[O-])CC(C)C)c1 ZINC000899775169 1041113124 /nfs/dbraw/zinc/11/31/24/1041113124.db2.gz JNLYSUAWHBSCDR-NSHDSACASA-N -1 0 342.233 3.833 20 0 EHADRM Cc1ccccc1NC(=O)N1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000555767917 1041121231 /nfs/dbraw/zinc/12/12/31/1041121231.db2.gz JPSJVVPHJGFTSZ-NVXWUHKLSA-N -1 0 330.428 3.882 20 0 EHADRM Cc1ccc([C@H](CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C(=O)[O-])cc1 ZINC000899797094 1041131044 /nfs/dbraw/zinc/13/10/44/1041131044.db2.gz XBJZUQYUSQGKIE-KSSFIOAISA-N -1 0 343.398 3.912 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)C[C@@H](C(=O)[O-])c2ccc(C)cc2)s1 ZINC000899810978 1041157004 /nfs/dbraw/zinc/15/70/04/1041157004.db2.gz YVLHNOATKAWDEB-CXAGYDPISA-N -1 0 345.464 3.671 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@@H]3C[C@@]3(C(=O)[O-])C(C)C)c2)oc1C ZINC000899804316 1041161494 /nfs/dbraw/zinc/16/14/94/1041161494.db2.gz ZDVCPPVLGVAMOU-HNAYVOBHSA-N -1 0 342.395 3.644 20 0 EHADRM Cc1ccc([C@H](CC(=O)NC[C@@H](C)Cc2cccs2)C(=O)[O-])cc1 ZINC000899821212 1041163942 /nfs/dbraw/zinc/16/39/42/1041163942.db2.gz ZHUIPBMLBJBLIS-YOEHRIQHSA-N -1 0 345.464 3.610 20 0 EHADRM Cc1ccc([C@H](CC(=O)N2Cc3ccccc3C[C@H]2C)C(=O)[O-])cc1 ZINC000899821118 1041178047 /nfs/dbraw/zinc/17/80/47/1041178047.db2.gz GPHLIISBZGQZEB-BEFAXECRSA-N -1 0 337.419 3.527 20 0 EHADRM CC(C)[C@@]1(C(=O)[O-])C[C@H]1C(=O)Nc1ccccc1COC(C)(C)C ZINC000899833493 1041178402 /nfs/dbraw/zinc/17/84/02/1041178402.db2.gz DHLAGRNPFLZCAU-LIRRHRJNSA-N -1 0 333.428 3.687 20 0 EHADRM Cc1ccc(N(C)C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])cc1 ZINC000193982114 1041186207 /nfs/dbraw/zinc/18/62/07/1041186207.db2.gz WECXLZBAGSCCKR-UHFFFAOYSA-N -1 0 341.798 3.816 20 0 EHADRM CSc1ccc(C(=O)N2CCC[C@@H]2c2nc(C(=O)[O-])cs2)cc1 ZINC000910114530 1041196383 /nfs/dbraw/zinc/19/63/83/1041196383.db2.gz VIQZANSZFNVRCP-CYBMUJFWSA-N -1 0 348.449 3.541 20 0 EHADRM C[C@](CC(=O)[O-])(C(=O)N[C@@H]1CCCc2cccnc21)C1CCCCC1 ZINC000899841626 1041204722 /nfs/dbraw/zinc/20/47/22/1041204722.db2.gz TXHVHEBYHWDSCE-OXQOHEQNSA-N -1 0 344.455 3.637 20 0 EHADRM CC(C)(CCC(=O)[O-])C(=O)Nc1ccccc1Oc1ccccn1 ZINC000899842570 1041205386 /nfs/dbraw/zinc/20/53/86/1041205386.db2.gz KFAZGWJIQKXDQA-UHFFFAOYSA-N -1 0 328.368 3.703 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)CC1(C(=O)[O-])CCCC1)C(C)(C)C ZINC000899852630 1041212953 /nfs/dbraw/zinc/21/29/53/1041212953.db2.gz ICJJONXIOPIEIK-MRXNPFEDSA-N -1 0 332.444 3.629 20 0 EHADRM CC12C[C@H]3C[C@@H](C1)CC(C(=O)NCc1ccc(CC(=O)[O-])cc1)(C3)C2 ZINC000910196248 1041220671 /nfs/dbraw/zinc/22/06/71/1041220671.db2.gz XQQVIQWZAVZDKW-AGXSTUJCSA-N -1 0 341.451 3.536 20 0 EHADRM CN(C(=O)Nc1ccc(CC(F)(F)F)cc1)C1(C(=O)[O-])CCCC1 ZINC000555852903 1041228298 /nfs/dbraw/zinc/22/82/98/1041228298.db2.gz PPSTUHHIVXVRON-UHFFFAOYSA-N -1 0 344.333 3.653 20 0 EHADRM COc1cc([C@@H](C)NC(=O)CC2(C(=O)[O-])CCC2)cc2ccccc21 ZINC000899856163 1041236889 /nfs/dbraw/zinc/23/68/89/1041236889.db2.gz MWAIDKRFOYOHAY-CYBMUJFWSA-N -1 0 341.407 3.671 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)N([C@H](C)C(=O)[O-])C3CC3)cc2s1 ZINC000555851497 1041242886 /nfs/dbraw/zinc/24/28/86/1041242886.db2.gz DDXVPYOVPKOTCW-SNVBAGLBSA-N -1 0 347.440 3.889 20 0 EHADRM CCc1c(C)sc(NC(=O)c2scnc2C2CC2)c1C(=O)[O-] ZINC000571373541 1041276899 /nfs/dbraw/zinc/27/68/99/1041276899.db2.gz KEJJUDPHHPKQAG-UHFFFAOYSA-N -1 0 336.438 3.903 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CC[C@](C)(c3cccc(F)c3)C2)c1 ZINC000652082151 1041353258 /nfs/dbraw/zinc/35/32/58/1041353258.db2.gz INQQVBMEKAJPOF-FQEVSTJZSA-N -1 0 341.382 3.636 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)c2cccn2C2CCCC2)c1 ZINC000431981333 1041436859 /nfs/dbraw/zinc/43/68/59/1041436859.db2.gz NTHKVUSTPVOFJX-UHFFFAOYSA-N -1 0 326.396 3.873 20 0 EHADRM COc1ccc(CCCCC(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])cc1 ZINC000432117935 1041613553 /nfs/dbraw/zinc/61/35/53/1041613553.db2.gz UKSHQCBOPWZUTL-XLIONFOSSA-N -1 0 347.455 3.558 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000432121387 1041616203 /nfs/dbraw/zinc/61/62/03/1041616203.db2.gz VXBZZWWTARUFEL-XUWXXGDYSA-N -1 0 335.469 3.565 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)Nc2ccc(-c3ccco3)cc2F)CC1 ZINC000647701288 1041801859 /nfs/dbraw/zinc/80/18/59/1041801859.db2.gz FRDZMBXDCGGREL-UHFFFAOYSA-N -1 0 346.358 3.804 20 0 EHADRM CCC(C)(C)N(C)C(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC000233063978 1041918680 /nfs/dbraw/zinc/91/86/80/1041918680.db2.gz TVMFFHSXQMQRGU-UHFFFAOYSA-N -1 0 343.221 3.800 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000320926877 1042081649 /nfs/dbraw/zinc/08/16/49/1042081649.db2.gz FNDZPSGEKDPZQY-GFCCVEGCSA-N -1 0 335.787 3.864 20 0 EHADRM O=C(Nc1ccc(Br)c(F)c1)c1cccc(F)c1[O-] ZINC001126094965 1042164200 /nfs/dbraw/zinc/16/42/00/1042164200.db2.gz PFDLSCDBZUMHCI-UHFFFAOYSA-N -1 0 328.112 3.685 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])CN1c1nccc2cc(Br)ccc21 ZINC000662892339 1042200957 /nfs/dbraw/zinc/20/09/57/1042200957.db2.gz AHWOLFIDKBMBGM-PWSUYJOCSA-N -1 0 349.228 3.687 20 0 EHADRM COc1ccc(CN(C(=O)c2cc(F)c([O-])c(Cl)c2)C2CC2)cc1 ZINC000184193094 1042223786 /nfs/dbraw/zinc/22/37/86/1042223786.db2.gz VFMUCRLZUORZNQ-UHFFFAOYSA-N -1 0 349.789 3.998 20 0 EHADRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)Nc1ccc(F)cc1F ZINC000323876574 1042332281 /nfs/dbraw/zinc/33/22/81/1042332281.db2.gz FOFFQDOMWZFJRR-CQSZACIVSA-N -1 0 326.343 3.510 20 0 EHADRM CC(C)(CC(F)(F)F)C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000663024499 1042357682 /nfs/dbraw/zinc/35/76/82/1042357682.db2.gz ALKKVWBKQAZARR-CYBMUJFWSA-N -1 0 345.361 3.557 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)C2CC3(C2)CCCCC3)c2ccccc21 ZINC000663054745 1042402311 /nfs/dbraw/zinc/40/23/11/1042402311.db2.gz QJXMZBASXWAMFI-MRXNPFEDSA-N -1 0 327.424 3.952 20 0 EHADRM Cc1ccc(C(C)(C)CN=c2[n-]nc(C3CCOCC3)s2)c(C)c1 ZINC000549579545 1042402796 /nfs/dbraw/zinc/40/27/96/1042402796.db2.gz TXCFBELTJWRJKB-UHFFFAOYSA-N -1 0 345.512 3.861 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C([O-])=C(C#N)C(=O)NC1CCCCC1 ZINC000147063889 1042409626 /nfs/dbraw/zinc/40/96/26/1042409626.db2.gz CVCMAVFJCFTQKC-CYBMUJFWSA-N -1 0 347.484 3.520 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(Oc2ccncc2)cc1 ZINC000663072305 1042421252 /nfs/dbraw/zinc/42/12/52/1042421252.db2.gz ZESNAOWFJJSECN-OAHLLOKOSA-N -1 0 328.368 3.559 20 0 EHADRM CC(C)(C)OC1CC(CCNC(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000432274928 1042459583 /nfs/dbraw/zinc/45/95/83/1042459583.db2.gz OZRVSNJNFKBMPV-UHFFFAOYSA-N -1 0 345.361 3.523 20 0 EHADRM CC(C)(C)c1ncc(C(=O)NCCCCCCCC(=O)[O-])s1 ZINC000236767410 1042466317 /nfs/dbraw/zinc/46/63/17/1042466317.db2.gz BQCYIKZWMXKRHI-UHFFFAOYSA-N -1 0 326.462 3.596 20 0 EHADRM CCc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC000432292495 1042480269 /nfs/dbraw/zinc/48/02/69/1042480269.db2.gz VWYOCGNMUJWZLV-UHFFFAOYSA-N -1 0 339.370 3.840 20 0 EHADRM C[C@@H](CC(=O)NC[C@H](C(=O)[O-])C1CCC1)Cc1ccc(Cl)cc1 ZINC000663154009 1042496798 /nfs/dbraw/zinc/49/67/98/1042496798.db2.gz VGOMEEANRSMQCR-WBMJQRKESA-N -1 0 337.847 3.526 20 0 EHADRM CCCn1nccc1CN[C@]1(C(=O)[O-])C[C@@H](C(C)C)c2ccccc21 ZINC000663259743 1042609645 /nfs/dbraw/zinc/60/96/45/1042609645.db2.gz HIAZAMBAKOVBEF-FXAWDEMLSA-N -1 0 341.455 3.506 20 0 EHADRM C[C@H](CC(=O)[O-])c1ccc(NCc2cc(C(F)(F)F)nn2C)cc1 ZINC000663263100 1042611336 /nfs/dbraw/zinc/61/13/36/1042611336.db2.gz NSWPDRWATNUNRF-SNVBAGLBSA-N -1 0 341.333 3.629 20 0 EHADRM O=C([O-])c1cccc(NN=Cc2ccc(Br)s2)c1 ZINC000254744206 1042616655 /nfs/dbraw/zinc/61/66/55/1042616655.db2.gz UJKGDTVMZRTYPX-UHFFFAOYSA-N -1 0 325.187 3.655 20 0 EHADRM Cc1cc(C)c(CC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c(C)c1 ZINC000653328986 1042665732 /nfs/dbraw/zinc/66/57/32/1042665732.db2.gz PSUNWLPJXMQZBE-OALUTQOASA-N -1 0 337.419 3.584 20 0 EHADRM COc1c(C)ccc(NC(=O)NC[C@H](CC(=O)[O-])CC(C)C)c1C ZINC000663340476 1042725609 /nfs/dbraw/zinc/72/56/09/1042725609.db2.gz FOWSQRDVRLXRDN-AWEZNQCLSA-N -1 0 336.432 3.571 20 0 EHADRM FC(F)c1n[n-]c(=NCCc2cccc(OCc3ccccc3)c2)o1 ZINC000432327176 1042909851 /nfs/dbraw/zinc/90/98/51/1042909851.db2.gz FTIGOSFOQMNPJQ-UHFFFAOYSA-N -1 0 345.349 3.663 20 0 EHADRM CC(C)(CC(=O)Nc1ccc(OCc2ccccc2)cc1)C(=O)[O-] ZINC000303135761 1042911570 /nfs/dbraw/zinc/91/15/70/1042911570.db2.gz INCNVPZHAGNQCS-UHFFFAOYSA-N -1 0 327.380 3.705 20 0 EHADRM Cn1[n-]c(-c2nc(-c3cc(C(F)(F)F)ccc3Cl)no2)cc1=O ZINC001213449563 1043002929 /nfs/dbraw/zinc/00/29/29/1043002929.db2.gz DHEVESBLBRXSPQ-UHFFFAOYSA-N -1 0 344.680 3.515 20 0 EHADRM O=C([O-])[C@@H]1CCCCCN1C(=O)Nc1ccccc1C(F)(F)F ZINC000321976959 1043004672 /nfs/dbraw/zinc/00/46/72/1043004672.db2.gz ISSPVVFCNDKPFG-LBPRGKRZSA-N -1 0 330.306 3.567 20 0 EHADRM CC(C)(C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccccc1F ZINC000653334668 1043479075 /nfs/dbraw/zinc/47/90/75/1043479075.db2.gz DOZLVNXOAJAEMS-WMLDXEAASA-N -1 0 341.382 3.533 20 0 EHADRM CCCCCC(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000236833051 1043605056 /nfs/dbraw/zinc/60/50/56/1043605056.db2.gz RYEQPHSEHRZSRP-ZDUSSCGKSA-N -1 0 342.233 3.661 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cccc(-c3nccs3)c2)CCCC1 ZINC000319962244 1043817666 /nfs/dbraw/zinc/81/76/66/1043817666.db2.gz IDURXNNPMARDTO-UHFFFAOYSA-N -1 0 330.409 3.784 20 0 EHADRM Cc1ccc(CCC(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1Cl ZINC000324150908 1044199324 /nfs/dbraw/zinc/19/93/24/1044199324.db2.gz YILAXIZGZMPIJX-OIISXLGYSA-N -1 0 349.858 3.825 20 0 EHADRM CC(C)c1ccc(C[C@@H](C)[N-]S(=O)(=O)[C@H](C)C(F)(F)F)cc1 ZINC000544725967 1044401633 /nfs/dbraw/zinc/40/16/33/1044401633.db2.gz NAWDIHCTTBVVCT-VXGBXAGGSA-N -1 0 337.407 3.611 20 0 EHADRM CO[C@@H](C)c1nsc(=NCCCO[C@H]2CCCc3ccccc32)[n-]1 ZINC000337886430 1044522461 /nfs/dbraw/zinc/52/24/61/1044522461.db2.gz YGEJYWIDQXHXSK-BBRMVZONSA-N -1 0 347.484 3.564 20 0 EHADRM CCSc1ccc(C(=O)N=c2ncn(C3CCCCC3)[n-]2)cc1 ZINC000344985856 1044774873 /nfs/dbraw/zinc/77/48/73/1044774873.db2.gz VGSDHDZZGKVNFD-UHFFFAOYSA-N -1 0 330.457 3.570 20 0 EHADRM CN(Cc1cnc(Cl)s1)Cc1cc(Cl)nc(Cl)c1[O-] ZINC001237517836 1125612873 /nfs/dbraw/zinc/61/28/73/1125612873.db2.gz DZQDFEJWONMJQG-UHFFFAOYSA-N -1 0 338.647 3.836 20 0 EHADRM COc1cccc2[nH]cc(CCNC(=O)c3ccc([O-])c(Cl)c3)c21 ZINC000183616372 1125620930 /nfs/dbraw/zinc/62/09/30/1125620930.db2.gz JWFZARMWXYVAKX-UHFFFAOYSA-N -1 0 344.798 3.508 20 0 EHADRM CN(C[C@H]1CCc2ccccc21)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000620685962 1125644834 /nfs/dbraw/zinc/64/48/34/1125644834.db2.gz AWCLVYRNEJMNSX-LLVKDONJSA-N -1 0 335.325 3.612 20 0 EHADRM COc1cc(C(=O)N[C@@H](Cc2ccccc2)C2CC2)cc(Cl)c1O ZINC000153857464 1125668385 /nfs/dbraw/zinc/66/83/85/1125668385.db2.gz ZFKIFVPPHHSGTB-INIZCTEOSA-N -1 0 345.826 3.805 20 0 EHADRM O=C([O-])CC1(CC(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)CCCCC1 ZINC000620752959 1125694883 /nfs/dbraw/zinc/69/48/83/1125694883.db2.gz GRYAATLQNGTOEO-CVEARBPZSA-N -1 0 333.403 3.613 20 0 EHADRM O=C([O-])[C@@]1(NCc2cnc(C3CCCC3)s2)CCc2ccccc21 ZINC000901665509 1126128842 /nfs/dbraw/zinc/12/88/42/1126128842.db2.gz HQPXPTPTLCUOSJ-LJQANCHMSA-N -1 0 342.464 3.817 20 0 EHADRM CC(C)c1nc(CN[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cs1 ZINC001116779248 1126145784 /nfs/dbraw/zinc/14/57/84/1126145784.db2.gz HJJFZIVNIFVIDZ-INIZCTEOSA-N -1 0 343.452 3.533 20 0 EHADRM Cc1cn(C)nc1C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000622481358 1126705849 /nfs/dbraw/zinc/70/58/49/1126705849.db2.gz QMCHZZULYMZOCM-UHFFFAOYSA-N -1 0 334.590 3.647 20 0 EHADRM Cc1cc(NC(=O)c2c([O-])cccc2F)cnc1N1CCCC[C@@H]1C ZINC000622496364 1126710788 /nfs/dbraw/zinc/71/07/88/1126710788.db2.gz ZDLLJCONZKAMIL-ZDUSSCGKSA-N -1 0 343.402 3.866 20 0 EHADRM Cc1csc([C@@H](C)CNC(=O)c2cccc(C(F)(F)F)c2[O-])n1 ZINC000622508311 1126711851 /nfs/dbraw/zinc/71/18/51/1126711851.db2.gz QPAGWDZQLATQOD-QMMMGPOBSA-N -1 0 344.358 3.709 20 0 EHADRM CCc1ccc(C(=O)NC(C)(C)c2nc3ccccc3n2C)c(O)c1 ZINC000622518675 1126714290 /nfs/dbraw/zinc/71/42/90/1126714290.db2.gz CBHPFSGKBSEDRJ-UHFFFAOYSA-N -1 0 337.423 3.506 20 0 EHADRM CC(C)(C)Nc1ccccc1NC(=O)c1s[n-]c(=O)c1Cl ZINC000622550539 1126720903 /nfs/dbraw/zinc/72/09/03/1126720903.db2.gz PVOXMIIPFHXGFK-UHFFFAOYSA-N -1 0 325.821 3.965 20 0 EHADRM CC(C)(CNC(=O)c1cccc(C(F)(F)F)c1[O-])c1cccnc1 ZINC000622715274 1126749957 /nfs/dbraw/zinc/74/99/57/1126749957.db2.gz ZQWPILBKDNNKGP-UHFFFAOYSA-N -1 0 338.329 3.514 20 0 EHADRM CCCCOCC(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000174917908 1126862623 /nfs/dbraw/zinc/86/26/23/1126862623.db2.gz QHWTYFLSQZRHQU-UHFFFAOYSA-N -1 0 336.613 3.563 20 0 EHADRM CO[C@@H](C)c1nc(=NCCc2ccc(Cl)cc2Cl)s[n-]1 ZINC000380015367 1126931016 /nfs/dbraw/zinc/93/10/16/1126931016.db2.gz SHNCSSXJPZQAFK-QMMMGPOBSA-N -1 0 332.256 3.629 20 0 EHADRM C[C@@H]1CCCC[C@@H]1OCC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000073086990 1126999025 /nfs/dbraw/zinc/99/90/25/1126999025.db2.gz IFIQBARNJFCYEQ-RISCZKNCSA-N -1 0 345.848 3.581 20 0 EHADRM O=S(=O)([N-]c1nccc2sccc21)c1ccc(Cl)cc1F ZINC000182019850 1127308609 /nfs/dbraw/zinc/30/86/09/1127308609.db2.gz NGOAUPWQUTZRFE-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM O=C(Nc1c(F)cccc1NC1CC1)c1cc(F)c(F)c([O-])c1F ZINC000182955369 1127356231 /nfs/dbraw/zinc/35/62/31/1127356231.db2.gz BWMWGXDZSBXGAP-UHFFFAOYSA-N -1 0 340.276 3.775 20 0 EHADRM Cc1c(Cl)cccc1NC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000325135208 1127392461 /nfs/dbraw/zinc/39/24/61/1127392461.db2.gz QSEYSMATOBWWFV-INIZCTEOSA-N -1 0 344.798 3.692 20 0 EHADRM CSCc1ccccc1[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000184031174 1127392714 /nfs/dbraw/zinc/39/27/14/1127392714.db2.gz QGJXQASHYMXLOU-UHFFFAOYSA-N -1 0 343.420 3.937 20 0 EHADRM CC(C)[C@@H]([N-]S(=O)(=O)[C@H](C)C(F)(F)F)c1ccccc1Cl ZINC000184492984 1127406407 /nfs/dbraw/zinc/40/64/07/1127406407.db2.gz WWDSAZDMKWGKEO-BXKDBHETSA-N -1 0 343.798 3.907 20 0 EHADRM CC(C)[C@H]([N-]S(=O)(=O)[C@H](C)C(F)(F)F)c1ccc(F)cc1F ZINC000184676047 1127411162 /nfs/dbraw/zinc/41/11/62/1127411162.db2.gz DUJCYVONYGLLDE-PELKAZGASA-N -1 0 345.333 3.532 20 0 EHADRM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C)c1Cl ZINC000385162709 1127595565 /nfs/dbraw/zinc/59/55/65/1127595565.db2.gz SILUYRKLNDSMQD-UHFFFAOYSA-N -1 0 345.829 3.517 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc3n(n2)CCCC3)cc1 ZINC000671663140 1127773345 /nfs/dbraw/zinc/77/33/45/1127773345.db2.gz LSDQTVWUZRWHBS-ZDUSSCGKSA-N -1 0 333.457 3.534 20 0 EHADRM CCCOc1ccc(/C=C/c2nc(C(=O)[O-])ccc2C#N)cc1OC ZINC000031732891 1127840145 /nfs/dbraw/zinc/84/01/45/1127840145.db2.gz YEVNREHIUPTSOH-QPJJXVBHSA-N -1 0 338.363 3.619 20 0 EHADRM C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)c3c[n-]ncc3=O)c2)C1 ZINC001626055247 1127907705 /nfs/dbraw/zinc/90/77/05/1127907705.db2.gz BNQBMESHZIUXJV-CJNGLKHVSA-N -1 0 341.411 3.530 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N3C[C@H]4CCC[C@@H]4C3)n2)c1 ZINC000155177971 1127925132 /nfs/dbraw/zinc/92/51/32/1127925132.db2.gz QIWSQYHCNDCSIO-HZPDHXFCSA-N -1 0 339.439 3.573 20 0 EHADRM O=C([O-])[C@H](CC1CC1)NC(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000347512777 1128027895 /nfs/dbraw/zinc/02/78/95/1128027895.db2.gz GSENCRWLQPMGGG-AWEZNQCLSA-N -1 0 344.238 3.686 20 0 EHADRM Cc1cccc(C)c1OCCCNC(=O)c1ccc([O-])c(Cl)c1 ZINC000065670955 1128197337 /nfs/dbraw/zinc/19/73/37/1128197337.db2.gz YPPNQKYUUJYZSI-UHFFFAOYSA-N -1 0 333.815 3.861 20 0 EHADRM O=C(Nc1cccc(-c2cccnc2)n1)c1cc(F)cc(Cl)c1[O-] ZINC001649082866 1128180352 /nfs/dbraw/zinc/18/03/52/1128180352.db2.gz ZCOBZPWZGGOTFH-UHFFFAOYSA-N -1 0 343.745 3.894 20 0 EHADRM CC(C)n1cc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cn1 ZINC000066585561 1128221455 /nfs/dbraw/zinc/22/14/55/1128221455.db2.gz VSDIHXMCZLYWSG-UHFFFAOYSA-N -1 0 340.257 3.633 20 0 EHADRM COCc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1 ZINC000073631076 1128326501 /nfs/dbraw/zinc/32/65/01/1128326501.db2.gz NNXDCGJVSWEFOU-UHFFFAOYSA-N -1 0 345.342 3.653 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000073853376 1128329758 /nfs/dbraw/zinc/32/97/58/1128329758.db2.gz VGXQHKFTXSLRTN-UHFFFAOYSA-N -1 0 329.318 3.987 20 0 EHADRM O=C(N[C@@H]1CCOc2ccc(F)cc21)C(F)(F)c1ccccc1F ZINC000765787769 1128367313 /nfs/dbraw/zinc/36/73/13/1128367313.db2.gz ARCPMMZMCOCKOF-CQSZACIVSA-N -1 0 339.288 3.697 20 0 EHADRM O=C(CC1CCC(F)(F)CC1)N=c1nc(-c2ccccc2)[n-]s1 ZINC000624529293 1128386877 /nfs/dbraw/zinc/38/68/77/1128386877.db2.gz OFQMOAYQMICHOV-UHFFFAOYSA-N -1 0 337.395 3.781 20 0 EHADRM COCc1n[n-]c(=N[C@@H]2CCCc3c4cc(Cl)ccc4[nH]c32)s1 ZINC000624675038 1128425077 /nfs/dbraw/zinc/42/50/77/1128425077.db2.gz LMWLSJLIHJFEQC-CYBMUJFWSA-N -1 0 348.859 3.731 20 0 EHADRM FC(F)(F)[C@@H]1CCC[C@H](CN=c2[n-]nc(C3CCOCC3)s2)C1 ZINC000338675330 1128475639 /nfs/dbraw/zinc/47/56/39/1128475639.db2.gz DQXCXEMQPWZQBS-CMPLNLGQSA-N -1 0 349.422 3.635 20 0 EHADRM OCC[C@@H](N=c1[n-]nc(C2CC2)s1)c1cc(Cl)cc(Cl)c1 ZINC000624722327 1128498124 /nfs/dbraw/zinc/49/81/24/1128498124.db2.gz QVZMATGVFWCIIS-GFCCVEGCSA-N -1 0 344.267 3.680 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1C ZINC000655869613 1128513573 /nfs/dbraw/zinc/51/35/73/1128513573.db2.gz HGRNNCIWKGAVRK-NXNVCVFFSA-N -1 0 346.471 3.799 20 0 EHADRM CCSc1ccc([C@@H](C)NC(=O)NC[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000655867189 1128513703 /nfs/dbraw/zinc/51/37/03/1128513703.db2.gz VTWNPMXMXVGKQE-IUODEOHRSA-N -1 0 338.473 3.516 20 0 EHADRM CC(C)Oc1cc(F)ccc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000542674805 1128523770 /nfs/dbraw/zinc/52/37/70/1128523770.db2.gz ZMALAQZPGXZRRQ-UHFFFAOYSA-N -1 0 343.276 3.988 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC(C)(C)O3)s1 ZINC000055593828 1128524851 /nfs/dbraw/zinc/52/48/51/1128524851.db2.gz UXLBZWYKTXDSMM-UHFFFAOYSA-N -1 0 339.438 3.619 20 0 EHADRM CC(C)CN(CC(C)(C)C)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655902854 1128528603 /nfs/dbraw/zinc/52/86/03/1128528603.db2.gz VJDUTYQJUGJNGU-SOUVJXGZSA-N -1 0 340.508 3.836 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000007052826 1128845552 /nfs/dbraw/zinc/84/55/52/1128845552.db2.gz YEQPEKCJHADXGU-UHFFFAOYSA-N -1 0 345.342 3.694 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(OCC)cc1 ZINC000007052798 1128845852 /nfs/dbraw/zinc/84/58/52/1128845852.db2.gz MMQPDHXFQUECHT-UHFFFAOYSA-N -1 0 335.425 3.675 20 0 EHADRM Cn1nc(C2CCC2)cc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000128763187 1120033282 /nfs/dbraw/zinc/03/32/82/1120033282.db2.gz CXFNFKJXNKQCGO-UHFFFAOYSA-N -1 0 341.436 3.642 20 0 EHADRM CC(C)(CC(=O)Nc1ccccc1OCc1ccccc1)C(=O)[O-] ZINC000310352588 1128907128 /nfs/dbraw/zinc/90/71/28/1128907128.db2.gz PTHNUSXWOXAJMH-UHFFFAOYSA-N -1 0 327.380 3.705 20 0 EHADRM CC[C@@H](NCc1ccc(F)c(Cl)c1Cl)c1nc(C(=O)[O-])c[nH]1 ZINC000904065467 1120351085 /nfs/dbraw/zinc/35/10/85/1120351085.db2.gz RQVFRBZBDPCUCR-SECBINFHSA-N -1 0 346.189 3.795 20 0 EHADRM CSc1ccccc1[N-]S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000185167151 1120402274 /nfs/dbraw/zinc/40/22/74/1120402274.db2.gz NBECUDNBBMYZNV-UHFFFAOYSA-N -1 0 336.413 3.830 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(N2CCCC2)cc1C ZINC000186418009 1120460045 /nfs/dbraw/zinc/46/00/45/1120460045.db2.gz COSWUHATABYNIV-UHFFFAOYSA-N -1 0 348.443 3.844 20 0 EHADRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccccc1C(F)(F)F ZINC000186428241 1120460694 /nfs/dbraw/zinc/46/06/94/1120460694.db2.gz QYGVMWZDASEECI-UHFFFAOYSA-N -1 0 333.306 3.954 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cccc(Cl)c2)cnn1-c1ccccc1 ZINC000152571252 1120547813 /nfs/dbraw/zinc/54/78/13/1120547813.db2.gz CWZCGNVIRNZHJT-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc(-c2ccccn2)ccc1Cl ZINC000761653411 1120713618 /nfs/dbraw/zinc/71/36/18/1120713618.db2.gz YQHYEWGEVTZOPS-GOSISDBHSA-N -1 0 346.814 3.775 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(C2CC2)nc2ccc(C)cc21 ZINC000761651475 1120717874 /nfs/dbraw/zinc/71/78/74/1120717874.db2.gz PILLXVDSXRMWDQ-FQEVSTJZSA-N -1 0 340.423 3.794 20 0 EHADRM COc1ccc(Cl)c(NC(=O)N(C)C2(C(=O)[O-])CCCCC2)c1 ZINC000324359527 1120756688 /nfs/dbraw/zinc/75/66/88/1120756688.db2.gz HMJRQRRXGPMPRI-UHFFFAOYSA-N -1 0 340.807 3.600 20 0 EHADRM CSc1ccccc1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000195438970 1120784260 /nfs/dbraw/zinc/78/42/60/1120784260.db2.gz YYOLMGYFEDUFOL-UHFFFAOYSA-N -1 0 345.392 3.811 20 0 EHADRM CC(C)OCc1ccc([N-]S(=O)(=O)c2cccc(F)c2F)cc1 ZINC000195445968 1120784668 /nfs/dbraw/zinc/78/46/68/1120784668.db2.gz NONVYAVYHHFXPQ-UHFFFAOYSA-N -1 0 341.379 3.691 20 0 EHADRM CCn1ncc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc21 ZINC000194689313 1120855262 /nfs/dbraw/zinc/85/52/62/1120855262.db2.gz DUVLBMXBKIROEZ-UHFFFAOYSA-N -1 0 341.845 3.572 20 0 EHADRM Cc1nc(O[C@H](C)c2c(F)cccc2F)c(Br)c(=O)[n-]1 ZINC001234572052 1120879159 /nfs/dbraw/zinc/87/91/59/1120879159.db2.gz JMIOFTSBMZDUKV-ZCFIWIBFSA-N -1 0 345.143 3.671 20 0 EHADRM O=C([O-])/C=C\c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1 ZINC000914729921 1120966215 /nfs/dbraw/zinc/96/62/15/1120966215.db2.gz CJILVQVTLQIOMX-JTKKJYNESA-N -1 0 325.339 3.666 20 0 EHADRM CCc1ncnc(CC)c1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000495503340 1121234607 /nfs/dbraw/zinc/23/46/07/1121234607.db2.gz ZLTPVDWCONAJFL-UHFFFAOYSA-N -1 0 340.210 3.866 20 0 EHADRM O=S(=O)([N-][C@@H]1CCCC1(F)F)c1c(Cl)cc(F)cc1Cl ZINC000672429327 1128976972 /nfs/dbraw/zinc/97/69/72/1128976972.db2.gz GWLZNIGWIKZMBR-SECBINFHSA-N -1 0 348.173 3.599 20 0 EHADRM CC(C)Oc1cc(O)ccc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000762703568 1121425015 /nfs/dbraw/zinc/42/50/15/1121425015.db2.gz RJZVOYVHXPGMNB-UHFFFAOYSA-N -1 0 341.285 3.555 20 0 EHADRM O=C(COC(=O)c1ccc([O-])c(Cl)c1)c1ccc(F)c(Cl)c1 ZINC000762823277 1121449216 /nfs/dbraw/zinc/44/92/16/1121449216.db2.gz MTRGUZVITGJFQY-UHFFFAOYSA-N -1 0 343.137 3.878 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000236692074 1121459842 /nfs/dbraw/zinc/45/98/42/1121459842.db2.gz ASEATOMHSKUYLD-UHFFFAOYSA-N -1 0 327.380 3.662 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000236910217 1121467983 /nfs/dbraw/zinc/46/79/83/1121467983.db2.gz ZZXVVQRRIABRTE-MVWJERBFSA-N -1 0 344.238 3.809 20 0 EHADRM CCc1cc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])sc1C ZINC000237123163 1121473987 /nfs/dbraw/zinc/47/39/87/1121473987.db2.gz KDWDLHLTKTYLEP-BDJLRTHQSA-N -1 0 331.437 3.811 20 0 EHADRM CCc1cc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])sc1C ZINC000237122708 1121474224 /nfs/dbraw/zinc/47/42/24/1121474224.db2.gz KDWDLHLTKTYLEP-BZNIZROVSA-N -1 0 331.437 3.811 20 0 EHADRM C[C@H]1CCc2c(C(=O)Nc3cc(C(=O)[O-])ccc3F)csc2C1 ZINC000237614897 1121489878 /nfs/dbraw/zinc/48/98/78/1121489878.db2.gz OQOVTLPALRIHOS-VIFPVBQESA-N -1 0 333.384 3.963 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)CCSc2ccc(Cl)cc2)cc1 ZINC000238088292 1121502398 /nfs/dbraw/zinc/50/23/98/1121502398.db2.gz MCMXYRZSKUWGSJ-UHFFFAOYSA-N -1 0 349.839 3.837 20 0 EHADRM Cc1cccc2sc([N-]S(=O)(=O)c3ccc(F)cc3F)nc21 ZINC000014229803 1121536421 /nfs/dbraw/zinc/53/64/21/1121536421.db2.gz GVPUKSRUFBGCCI-UHFFFAOYSA-N -1 0 340.376 3.684 20 0 EHADRM O=C([O-])C1(CNC(=O)Cc2ccc(Cl)c(Cl)c2)CCCCC1 ZINC000316592562 1121590652 /nfs/dbraw/zinc/59/06/52/1121590652.db2.gz LGPBSRJPGSIOFD-UHFFFAOYSA-N -1 0 344.238 3.687 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cc2cc(F)ccc2[nH]1 ZINC000762967842 1121618423 /nfs/dbraw/zinc/61/84/23/1121618423.db2.gz QIDMCKXEBYZYQU-UHFFFAOYSA-N -1 0 327.340 3.989 20 0 EHADRM O=C(Nc1cccc(C(F)(F)F)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000055528774 1121845720 /nfs/dbraw/zinc/84/57/20/1121845720.db2.gz AIPQDFGWKYDAGA-UHFFFAOYSA-N -1 0 332.281 3.799 20 0 EHADRM Cc1cc(=O)[nH]c(CSCc2ccc(OC(F)(F)F)cc2)n1 ZINC000763217304 1121901496 /nfs/dbraw/zinc/90/14/96/1121901496.db2.gz SJVHICAGUAECNE-UHFFFAOYSA-N -1 0 330.331 3.823 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cccc3c2N=S=N3)cnc1Cl ZINC000154056305 1122196501 /nfs/dbraw/zinc/19/65/01/1122196501.db2.gz KQVKIHQRAKDUAH-UHFFFAOYSA-N -1 0 340.817 3.571 20 0 EHADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000063911012 1122298041 /nfs/dbraw/zinc/29/80/41/1122298041.db2.gz ZPWZWTASQXXHEY-UHFFFAOYSA-N -1 0 349.305 3.654 20 0 EHADRM CCc1cc(=O)[nH]c(CSCc2ncc(-c3cccs3)o2)n1 ZINC000125543145 1122320393 /nfs/dbraw/zinc/32/03/93/1122320393.db2.gz SCDXCOFKSPTKBM-UHFFFAOYSA-N -1 0 333.438 3.895 20 0 EHADRM O=C([N-]S(=O)(=O)c1cccc(Cl)c1)c1cccc2ccccc21 ZINC000916771801 1122350389 /nfs/dbraw/zinc/35/03/89/1122350389.db2.gz JGOJBMZGRYHEEV-UHFFFAOYSA-N -1 0 345.807 3.612 20 0 EHADRM CCCCC1CCC(C(=O)[N-]S(=O)(=O)Cc2ccccc2)CC1 ZINC000916808014 1122352011 /nfs/dbraw/zinc/35/20/11/1122352011.db2.gz YLLKIZIAQWEQKO-UHFFFAOYSA-N -1 0 337.485 3.629 20 0 EHADRM Cc1ccc(C)c([C@@H]2CN(C(=O)c3c([O-])cccc3F)[C@@H](C)CO2)c1 ZINC000126537113 1122411481 /nfs/dbraw/zinc/41/14/81/1122411481.db2.gz HKJCWSJTBULUFX-KSSFIOAISA-N -1 0 343.398 3.750 20 0 EHADRM CCCc1csc([N-]S(=O)(=O)c2cc(F)ccc2Cl)n1 ZINC000127257621 1122472981 /nfs/dbraw/zinc/47/29/81/1122472981.db2.gz GMQQQCIXVZTYBK-UHFFFAOYSA-N -1 0 334.825 3.689 20 0 EHADRM Cc1ccc(NC(=O)c2ccccc2O)cc1NC(=O)c1ccncc1 ZINC000067068172 1122498339 /nfs/dbraw/zinc/49/83/39/1122498339.db2.gz ZJBQWVROIPSVLU-UHFFFAOYSA-N -1 0 347.374 3.600 20 0 EHADRM CN(CCOCc1ccccc1)Cc1cccc(C(=O)[O-])c1Cl ZINC000383836375 1122689057 /nfs/dbraw/zinc/68/90/57/1122689057.db2.gz KVCBXLONOYITIG-UHFFFAOYSA-N -1 0 333.815 3.687 20 0 EHADRM CSc1ccc(S(=O)(=O)Nc2ccc(OCC3CC3)cc2)cc1 ZINC000497946295 1122709511 /nfs/dbraw/zinc/70/95/11/1122709511.db2.gz MQIRFYVARLNLIH-UHFFFAOYSA-N -1 0 349.477 3.998 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)c3c[nH]nc32)c1 ZINC000498007951 1122729847 /nfs/dbraw/zinc/72/98/47/1122729847.db2.gz PFUAVPGBZUTILZ-UHFFFAOYSA-N -1 0 335.816 3.634 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)c1 ZINC000498008411 1122730040 /nfs/dbraw/zinc/73/00/40/1122730040.db2.gz ITNIPLURSNJQGA-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM C[C@H](C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-])c1cc2ccccc2o1 ZINC000262725386 1122791234 /nfs/dbraw/zinc/79/12/34/1122791234.db2.gz GHUWISMICXOEGV-PTAUBWNISA-N -1 0 329.396 3.686 20 0 EHADRM O=S(=O)([N-]c1ccccc1OCC(F)F)c1ccccc1Cl ZINC000130963403 1123026227 /nfs/dbraw/zinc/02/62/27/1123026227.db2.gz KFPLOHQKQZHKSL-UHFFFAOYSA-N -1 0 347.770 3.785 20 0 EHADRM O=C(c1c([O-])cccc1F)N(Cc1ccco1)Cc1ccc(O)cc1 ZINC000131102580 1123043819 /nfs/dbraw/zinc/04/38/19/1123043819.db2.gz KUJPWBPTPDMWMG-UHFFFAOYSA-N -1 0 341.338 3.673 20 0 EHADRM O=C([N-]c1nnc(C2CCCCC2)s1)c1scnc1Cl ZINC000919744904 1123143998 /nfs/dbraw/zinc/14/39/98/1123143998.db2.gz OMPVQVUKSWGBOS-UHFFFAOYSA-N -1 0 328.850 3.948 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cn(C(C)C)cn2)cc1C(F)(F)F ZINC000131586945 1123144079 /nfs/dbraw/zinc/14/40/79/1123144079.db2.gz CWUBMVGJOSWOTD-UHFFFAOYSA-N -1 0 347.362 3.592 20 0 EHADRM CCC(C)(C)NC(=O)c1ccc(NC(=O)c2c([O-])cccc2F)cc1 ZINC000132199230 1123209344 /nfs/dbraw/zinc/20/93/44/1123209344.db2.gz QFDVRJQXPFBSOE-UHFFFAOYSA-N -1 0 344.386 3.702 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)N[C@H](C)c3cccc(C)c3C)cc2=O)cc1 ZINC000073732956 1123218240 /nfs/dbraw/zinc/21/82/40/1123218240.db2.gz IHOSKCGKBYUZLL-MRXNPFEDSA-N -1 0 349.434 3.582 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)COC2)c1ccccc1C(F)(F)F ZINC000132867460 1123311043 /nfs/dbraw/zinc/31/10/43/1123311043.db2.gz FOMXPNKLOHNBAE-UHFFFAOYSA-N -1 0 343.326 3.536 20 0 EHADRM CC(C)c1n[n-]c(=N[C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)o1 ZINC000649241685 1123352945 /nfs/dbraw/zinc/35/29/45/1123352945.db2.gz CISDXAOUQVRHOH-BRPSZJMVSA-N -1 0 345.287 3.936 20 0 EHADRM O=C(N[C@@H]1CCSc2ccc(F)cc21)c1c([O-])cc(F)cc1F ZINC000066042666 1129125520 /nfs/dbraw/zinc/12/55/20/1129125520.db2.gz CPRPSSWPJBJBNX-GFCCVEGCSA-N -1 0 339.338 3.776 20 0 EHADRM CC[C@H](NC(=O)C[C@@H](C(=O)[O-])c1ccccc1)c1ccc(OC)cc1 ZINC000013467977 1129125814 /nfs/dbraw/zinc/12/58/14/1129125814.db2.gz ARFDSXOLMFIWBC-MSOLQXFVSA-N -1 0 341.407 3.521 20 0 EHADRM Cc1ccc(OCC(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)cc1 ZINC000237782037 1123539071 /nfs/dbraw/zinc/53/90/71/1123539071.db2.gz XBYZOKXSEUTPCT-UHFFFAOYSA-N -1 0 341.388 3.925 20 0 EHADRM CCOC(=O)c1ncc(C(=O)[N-]c2c(F)cc(Cl)cc2F)s1 ZINC001127557893 1123584721 /nfs/dbraw/zinc/58/47/21/1123584721.db2.gz YRXGJBRZHJOINH-UHFFFAOYSA-N -1 0 346.742 3.504 20 0 EHADRM C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)C[C@@]1(C)C(=O)[O-] ZINC000564334981 1123616657 /nfs/dbraw/zinc/61/66/57/1123616657.db2.gz IVXRVZWTPIPWMS-AXMDWLFASA-N -1 0 337.419 3.513 20 0 EHADRM O=S(=O)(Cc1ccccc1)[N-]c1nc(-c2ccccc2F)cs1 ZINC000135553806 1123627452 /nfs/dbraw/zinc/62/74/52/1123627452.db2.gz BHSOLBXJGLAQOY-UHFFFAOYSA-N -1 0 348.424 3.891 20 0 EHADRM Cc1ccc(C(N)=O)cc1Nc1c(Cl)cc(C(=O)[O-])cc1Cl ZINC001214514832 1129140557 /nfs/dbraw/zinc/14/05/57/1129140557.db2.gz XDNWQTYKQOMCIO-UHFFFAOYSA-N -1 0 339.178 3.843 20 0 EHADRM CCn1cc([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)cn1 ZINC000080938555 1123769137 /nfs/dbraw/zinc/76/91/37/1123769137.db2.gz HQMARDGRIQIYBH-UHFFFAOYSA-N -1 0 341.845 3.572 20 0 EHADRM Cc1nc([C@H](C)NC(=O)CCCc2ccc(C)cc2)sc1C(=O)[O-] ZINC000237602093 1123786362 /nfs/dbraw/zinc/78/63/62/1123786362.db2.gz GFUVSGNTVRBLMP-ZDUSSCGKSA-N -1 0 346.452 3.658 20 0 EHADRM CC(C)c1cc(CNS(=O)(=O)c2cccc(Cl)c2Cl)on1 ZINC000114499280 1129152315 /nfs/dbraw/zinc/15/23/15/1129152315.db2.gz UOTSXBYEJWBHJY-UHFFFAOYSA-N -1 0 349.239 3.583 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)CCn2ccc3ccccc32)cc1 ZINC000237942051 1123922955 /nfs/dbraw/zinc/92/29/55/1123922955.db2.gz WDCYQDYXXCELQY-JXMROGBWSA-N -1 0 334.375 3.768 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)CC23CC4CC(CC(C4)C2)C3)C1 ZINC000238023296 1123947574 /nfs/dbraw/zinc/94/75/74/1123947574.db2.gz ORIKVGJQRLOEGO-ZIUDEIKKSA-N -1 0 333.472 3.696 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)CCCOc2ccccc2F)cc1 ZINC000238145976 1123995077 /nfs/dbraw/zinc/99/50/77/1123995077.db2.gz VHJOPXPGGQLICP-FMIVXFBMSA-N -1 0 343.354 3.721 20 0 EHADRM CC(C)CCN(CCC(C)C)C(=O)CSc1n[n-]c(=S)s1 ZINC000080538882 1124002426 /nfs/dbraw/zinc/00/24/26/1124002426.db2.gz LOLHHJVYVODKDV-UHFFFAOYSA-N -1 0 347.575 3.840 20 0 EHADRM CCC1(C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)CCCCC1 ZINC000263527655 1124009375 /nfs/dbraw/zinc/00/93/75/1124009375.db2.gz KVOSHHCMXDLZDZ-SJORKVTESA-N -1 0 329.440 3.674 20 0 EHADRM CCc1oc(C(=O)N[C@@H]2CC(C)(C)c3ccccc32)cc1C(=O)[O-] ZINC000263551717 1124081890 /nfs/dbraw/zinc/08/18/90/1124081890.db2.gz WRTGCDXXCGWDTC-CQSZACIVSA-N -1 0 327.380 3.693 20 0 EHADRM CC(C)CCc1nnc(NC(=O)c2ccc([O-])c(Cl)c2)s1 ZINC000617097428 1124083995 /nfs/dbraw/zinc/08/39/95/1124083995.db2.gz VITVUPHHMKZZFS-UHFFFAOYSA-N -1 0 325.821 3.738 20 0 EHADRM Cc1ccc2c(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)csc2c1 ZINC000263557004 1124105219 /nfs/dbraw/zinc/10/52/19/1124105219.db2.gz ZHPLYDAFBPBDPA-ZDUSSCGKSA-N -1 0 331.437 3.927 20 0 EHADRM Cc1cc(Cl)c(C(=O)N[N-]C(=O)c2cc3ccccc3o2)cc1C ZINC000181030922 1124490145 /nfs/dbraw/zinc/49/01/45/1124490145.db2.gz FQPAGOQRDQEVHX-UHFFFAOYSA-N -1 0 342.782 3.778 20 0 EHADRM CN(CC1(c2ccccc2)CC1)C(=O)CCc1ccccc1C(=O)[O-] ZINC000263575709 1124642390 /nfs/dbraw/zinc/64/23/90/1124642390.db2.gz PLJKVRRDXZBKLK-UHFFFAOYSA-N -1 0 337.419 3.508 20 0 EHADRM O=C(c1s[n-]c(=O)c1Cl)N1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000617920519 1124837906 /nfs/dbraw/zinc/83/79/06/1124837906.db2.gz DQCCPPRFHZXMNC-LBPRGKRZSA-N -1 0 338.816 3.853 20 0 EHADRM O=C([O-])c1cc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2Cl)cs1 ZINC000181447526 1124847158 /nfs/dbraw/zinc/84/71/58/1124847158.db2.gz UXVJRLKDIHVXMO-DUXPYHPUSA-N -1 0 337.740 3.904 20 0 EHADRM CC(C)[C@@H](NC(=O)c1s[n-]c(=O)c1Cl)c1ccccc1F ZINC000617994271 1124899646 /nfs/dbraw/zinc/89/96/46/1124899646.db2.gz JCRWIJJTWRHXCB-LLVKDONJSA-N -1 0 328.796 3.768 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)[N-]S(=O)(=O)c1cccc(C)c1 ZINC000069570634 1124904584 /nfs/dbraw/zinc/90/45/84/1124904584.db2.gz NZSJSXMJOMEKMI-UHFFFAOYSA-N -1 0 338.454 3.577 20 0 EHADRM CC1(C(=O)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCCC1 ZINC000069579600 1124911807 /nfs/dbraw/zinc/91/18/07/1124911807.db2.gz OIBIELFEGNKEBU-UHFFFAOYSA-N -1 0 335.347 3.931 20 0 EHADRM CCCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000735217130 1131322450 /nfs/dbraw/zinc/32/24/50/1131322450.db2.gz VJQTWQZFFUUVIH-GFCCVEGCSA-N -1 0 346.880 3.537 20 0 EHADRM CCSc1cccc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)c1 ZINC000735267285 1131327822 /nfs/dbraw/zinc/32/78/22/1131327822.db2.gz AQQDIOFLKWVLSN-UHFFFAOYSA-N -1 0 342.873 3.956 20 0 EHADRM CN(CC1=CCCOC1)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000618378051 1125060294 /nfs/dbraw/zinc/06/02/94/1125060294.db2.gz BDSYTMMIIDMMEL-UHFFFAOYSA-N -1 0 331.799 3.618 20 0 EHADRM CCc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)cc1 ZINC000070031098 1125163833 /nfs/dbraw/zinc/16/38/33/1125163833.db2.gz NRHMWRCIULPTSD-ZDUSSCGKSA-N -1 0 349.427 3.978 20 0 EHADRM Cc1c(-c2cccc(Br)c2)[n-]n([C@@H](C)C(F)(F)F)c1=O ZINC000634631478 1125323159 /nfs/dbraw/zinc/32/31/59/1125323159.db2.gz VVWJDKIEJMLJOM-YUMQZZPRSA-N -1 0 349.150 3.582 20 0 EHADRM Cc1cc([C@H]2CCN(C(=O)c3ccc(F)cc3[O-])C2)c(O)cc1Cl ZINC000619375370 1125343061 /nfs/dbraw/zinc/34/30/61/1125343061.db2.gz WPLSWCFAFURHRT-NSHDSACASA-N -1 0 349.789 3.828 20 0 EHADRM CSCc1cccc(NC(=O)N(CC(=O)[O-])C2CCCCC2)c1 ZINC000619542899 1125363243 /nfs/dbraw/zinc/36/32/43/1125363243.db2.gz CZNPUNOZMNOHEU-UHFFFAOYSA-N -1 0 336.457 3.801 20 0 EHADRM Cc1nc(C(=O)Nc2nnc(-c3cc4ccccc4o3)s2)co1 ZINC000682563613 1129226219 /nfs/dbraw/zinc/22/62/19/1129226219.db2.gz OWDWOYWMXFNTCO-UHFFFAOYSA-N -1 0 326.337 3.500 20 0 EHADRM CSCc1ccc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000066965952 1129229699 /nfs/dbraw/zinc/22/96/99/1129229699.db2.gz UTNJZKZSAOJTNQ-INIZCTEOSA-N -1 0 329.421 3.747 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCC2(Cc3ccccc3)CCC2)c(F)c1 ZINC000478858151 1129281676 /nfs/dbraw/zinc/28/16/76/1129281676.db2.gz QQSWJWVMTIEONG-UHFFFAOYSA-N -1 0 341.382 3.667 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H](c2ccccc2)C2CCC2)c(F)c1 ZINC000478847283 1129283605 /nfs/dbraw/zinc/28/36/05/1129283605.db2.gz ZSENVFXTAAJPQI-KRWDZBQOSA-N -1 0 327.355 3.795 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]c1cnn(CC(C)C)c1C1CC1 ZINC000673489234 1129458696 /nfs/dbraw/zinc/45/86/96/1129458696.db2.gz KTDOOSHCLSMUKR-UHFFFAOYSA-N -1 0 347.484 3.780 20 0 EHADRM CCCCCOc1ccc(S(=O)(=O)[N-]c2ncccc2C)cc1 ZINC000069674297 1129472867 /nfs/dbraw/zinc/47/28/67/1129472867.db2.gz VSQSPZKOYFMJLD-UHFFFAOYSA-N -1 0 334.441 3.760 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000013249039 1129512146 /nfs/dbraw/zinc/51/21/46/1129512146.db2.gz DYDLHLGJFPYHQN-ZJUUUORDSA-N -1 0 347.720 3.964 20 0 EHADRM CSCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000013388662 1129519732 /nfs/dbraw/zinc/51/97/32/1129519732.db2.gz ZXOVNFNHUGZEIZ-CYBMUJFWSA-N -1 0 335.450 3.557 20 0 EHADRM Cc1cccc2oc(CCN=c3nc(-c4ccccc4)[n-]s3)nc21 ZINC000499906981 1129564269 /nfs/dbraw/zinc/56/42/69/1129564269.db2.gz UHRLCZRBYASNCL-UHFFFAOYSA-N -1 0 336.420 3.731 20 0 EHADRM O=C(c1cc(O)ccc1Cl)N1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000391053128 1129648215 /nfs/dbraw/zinc/64/82/15/1129648215.db2.gz NOFSGHVGDZHXDV-XKQJLSEDSA-N -1 0 337.847 3.591 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc2ccc(F)cc2s1 ZINC000391873837 1129690170 /nfs/dbraw/zinc/69/01/70/1129690170.db2.gz VYIZVXBJBINSSZ-SWHYSGLUSA-N -1 0 347.411 3.898 20 0 EHADRM CCCCCc1n[n-]c(=NCc2ccc(-c3cnn(C)c3)s2)s1 ZINC000509045123 1129694510 /nfs/dbraw/zinc/69/45/10/1129694510.db2.gz UURQLFWWAVAZIO-UHFFFAOYSA-N -1 0 347.513 3.767 20 0 EHADRM COc1ccc(Cl)cc1COC(=O)c1c(F)cc([O-])cc1F ZINC000735952754 1131393952 /nfs/dbraw/zinc/39/39/52/1131393952.db2.gz SXONYDBIEZURHU-UHFFFAOYSA-N -1 0 328.698 3.689 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000392917734 1129731441 /nfs/dbraw/zinc/73/14/41/1129731441.db2.gz IBIUMYFCWPKSCX-UHFFFAOYSA-N -1 0 343.423 3.695 20 0 EHADRM COc1cccc(F)c1C(=O)Nc1nnc(Cc2ccccc2)s1 ZINC000673645904 1129741441 /nfs/dbraw/zinc/74/14/41/1129741441.db2.gz VYGKZUJUFNINFT-UHFFFAOYSA-N -1 0 343.383 3.529 20 0 EHADRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cccc(SC)c1 ZINC000509102704 1129748210 /nfs/dbraw/zinc/74/82/10/1129748210.db2.gz JEDKTBHFHIKTQO-UHFFFAOYSA-N -1 0 337.466 3.835 20 0 EHADRM Cc1nn(-c2ccc(F)cc2)cc1CN=c1[n-]nc(C(C)(C)C)s1 ZINC000347790967 1129786077 /nfs/dbraw/zinc/78/60/77/1129786077.db2.gz DGSCUQMXKCZMNH-UHFFFAOYSA-N -1 0 345.447 3.503 20 0 EHADRM COc1cc2cccnc2c(Nc2ccc(C(=O)[O-])c(F)c2F)c1 ZINC001212513122 1129923819 /nfs/dbraw/zinc/92/38/19/1129923819.db2.gz AMPIIOKELZZQRW-UHFFFAOYSA-N -1 0 330.290 3.963 20 0 EHADRM COc1cc(OC)c(F)c(Nc2ccc(C(=O)[O-])c(F)c2F)c1F ZINC001212513174 1129924216 /nfs/dbraw/zinc/92/42/16/1129924216.db2.gz CPSJOIIGSWLMAP-UHFFFAOYSA-N -1 0 345.248 3.702 20 0 EHADRM CC(=O)c1cc(Nc2ccc(C(=O)[O-])c(F)c2F)cc(C(C)=O)c1 ZINC001212515805 1129927924 /nfs/dbraw/zinc/92/79/24/1129927924.db2.gz PFKIIBZHVVIBGO-UHFFFAOYSA-N -1 0 333.290 3.812 20 0 EHADRM O=C(NCc1ccc(O)c(F)c1)N1CCC(Cc2ccccc2)CC1 ZINC000163655424 1129943943 /nfs/dbraw/zinc/94/39/43/1129943943.db2.gz RRJFADUYFUNEOA-UHFFFAOYSA-N -1 0 342.414 3.696 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)s1 ZINC000134050872 1129977737 /nfs/dbraw/zinc/97/77/37/1129977737.db2.gz RCVUQGBRZXILOP-UHFFFAOYSA-N -1 0 335.454 3.788 20 0 EHADRM C/C(=C\C(C)(C)C)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000187001328 1129979694 /nfs/dbraw/zinc/97/96/94/1129979694.db2.gz YHGAFKJVYIGKBN-MDZDMXLPSA-N -1 0 349.374 3.503 20 0 EHADRM O=C(CC/C=C\c1ccccc1)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000466629627 1129990637 /nfs/dbraw/zinc/99/06/37/1129990637.db2.gz UBANGQNIJDTFBJ-XFFZJAGNSA-N -1 0 329.403 3.998 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)Nc2ncc(Cl)s2)n1 ZINC000674604132 1130148121 /nfs/dbraw/zinc/14/81/21/1130148121.db2.gz CKFWIEDZBMFWNB-UHFFFAOYSA-N -1 0 348.815 3.503 20 0 EHADRM CSc1ccncc1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000674715924 1130178893 /nfs/dbraw/zinc/17/88/93/1130178893.db2.gz XOIUBUOXUHBBQN-UHFFFAOYSA-N -1 0 336.482 3.838 20 0 EHADRM CSc1ccncc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000674714823 1130179163 /nfs/dbraw/zinc/17/91/63/1130179163.db2.gz DEWUCSWINWNHIY-UHFFFAOYSA-N -1 0 349.264 3.911 20 0 EHADRM CC(C)(CNC(=O)CC1(C(=O)[O-])CCCCCC1)[C@@H]1CCCCO1 ZINC000675149735 1130267329 /nfs/dbraw/zinc/26/73/29/1130267329.db2.gz RBHYLQUZRHLGKQ-HNNXBMFYSA-N -1 0 339.476 3.513 20 0 EHADRM CC[C@@H]1c2ccccc2CCN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000675221413 1130287668 /nfs/dbraw/zinc/28/76/68/1130287668.db2.gz YRHFQQUZLWRCCH-GOSISDBHSA-N -1 0 347.418 3.728 20 0 EHADRM Cc1coc(-c2ccc(C)c(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])c2)n1 ZINC000675281637 1130302846 /nfs/dbraw/zinc/30/28/46/1130302846.db2.gz DLKHCUIELLHHPH-LSDHHAIUSA-N -1 0 340.379 3.564 20 0 EHADRM COc1cccc(S(=O)(=O)[N-]c2ccccc2SC(C)C)c1 ZINC000675439852 1130375513 /nfs/dbraw/zinc/37/55/13/1130375513.db2.gz IXJFZFHOELVPAE-UHFFFAOYSA-N -1 0 337.466 3.997 20 0 EHADRM CCC(CC)(CC(=O)NCc1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000675723496 1130462505 /nfs/dbraw/zinc/46/25/05/1130462505.db2.gz UHKRVPBZHOMHAQ-UHFFFAOYSA-N -1 0 346.452 3.707 20 0 EHADRM Cc1c(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)cccc1C(=O)[O-] ZINC000675965845 1130511251 /nfs/dbraw/zinc/51/12/51/1130511251.db2.gz CDYANQLRBOHXTR-KGLIPLIRSA-N -1 0 331.318 3.714 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N(CC(=O)[O-])CC3CC3)c(F)c2)cc1 ZINC000675974367 1130513791 /nfs/dbraw/zinc/51/37/91/1130513791.db2.gz NJDNPYVESIBQDQ-UHFFFAOYSA-N -1 0 341.382 3.738 20 0 EHADRM O=C([O-])CN(C(=O)c1ccc(-c2ccc(F)cc2)o1)C1CCCCC1 ZINC000675993677 1130513826 /nfs/dbraw/zinc/51/38/26/1130513826.db2.gz PCJFZGYFFFVVDU-UHFFFAOYSA-N -1 0 345.370 3.945 20 0 EHADRM CC(C)[C@@H](Sc1ccccc1)C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000676024727 1130518225 /nfs/dbraw/zinc/51/82/25/1130518225.db2.gz UWDPLLRNVYDMPZ-OAHLLOKOSA-N -1 0 335.469 3.565 20 0 EHADRM CCCCC[C@@H](NC(=O)C(=O)[N-]OC1CCCCC1)c1ccccc1 ZINC000804091710 1130533122 /nfs/dbraw/zinc/53/31/22/1130533122.db2.gz PUHKQXVRXPVOLM-GOSISDBHSA-N -1 0 346.471 3.805 20 0 EHADRM CC(C)C[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000727950485 1130612536 /nfs/dbraw/zinc/61/25/36/1130612536.db2.gz QKOLRIZFWOPZFI-CQSZACIVSA-N -1 0 333.453 3.717 20 0 EHADRM CCCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000727952638 1130612542 /nfs/dbraw/zinc/61/25/42/1130612542.db2.gz NUURRBVDHSBQER-GFCCVEGCSA-N -1 0 347.427 3.766 20 0 EHADRM CCCC[C@@H](CCC)OC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O ZINC000730299285 1130696989 /nfs/dbraw/zinc/69/69/89/1130696989.db2.gz CUGUUDOQLVQOGV-CYBMUJFWSA-N -1 0 345.436 3.713 20 0 EHADRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)C[C@H](c1ccccc1)C(C)C ZINC000732904327 1130972203 /nfs/dbraw/zinc/97/22/03/1130972203.db2.gz DCHBDWDAADWSHW-RDJZCZTQSA-N -1 0 339.501 3.699 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)C(C)(C)CCCc1ccccc1 ZINC000733711448 1131072591 /nfs/dbraw/zinc/07/25/91/1131072591.db2.gz BTNQDPNLTSTQGP-UHFFFAOYSA-N -1 0 339.501 3.670 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)CSc1ccc(C(C)C)cc1 ZINC000733714281 1131073788 /nfs/dbraw/zinc/07/37/88/1131073788.db2.gz ZLXBSWSXIXTACH-UHFFFAOYSA-N -1 0 343.514 3.537 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OCC(C)C)cc1 ZINC000734042481 1131186381 /nfs/dbraw/zinc/18/63/81/1131186381.db2.gz YOULRHISTHKCHJ-UHFFFAOYSA-N -1 0 347.436 3.609 20 0 EHADRM CC[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1ccc(C)s1 ZINC000734079491 1131194119 /nfs/dbraw/zinc/19/41/19/1131194119.db2.gz FLLZATHXTGDAKT-CQSZACIVSA-N -1 0 343.514 3.858 20 0 EHADRM O=S(=O)(C=Cc1ccccc1Cl)[N-]c1n[nH]c2ccccc21 ZINC000736422661 1131421112 /nfs/dbraw/zinc/42/11/12/1131421112.db2.gz FEMXESYFPALTQP-KTKRTIGZSA-N -1 0 333.800 3.629 20 0 EHADRM CCCC[C@H](CC)CC(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1 ZINC000737347498 1131447820 /nfs/dbraw/zinc/44/78/20/1131447820.db2.gz ISKYHZUFMVNWGR-CABCVRRESA-N -1 0 325.474 3.800 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1ccccc1C(F)(F)F ZINC000743246217 1131882334 /nfs/dbraw/zinc/88/23/34/1131882334.db2.gz AYCKGCDHRAVZRT-UHTWSYAYSA-N -1 0 341.329 3.550 20 0 EHADRM CCCCC[C@H](C)CC(=O)Nc1cc(S(=O)(=O)CC)ccc1[O-] ZINC000743287049 1131885201 /nfs/dbraw/zinc/88/52/01/1131885201.db2.gz KLQZYCHCOFRZAZ-ZDUSSCGKSA-N -1 0 341.473 3.731 20 0 EHADRM COC(=O)C(C)(C)c1ccc(NC(=O)c2c([O-])cccc2Cl)cc1 ZINC000743641220 1131957540 /nfs/dbraw/zinc/95/75/40/1131957540.db2.gz ICJLUESOXKBYPC-UHFFFAOYSA-N -1 0 347.798 3.749 20 0 EHADRM O=S(=O)([O-])c1cc(O)c2ccc(Nc3ccc(F)cc3)cc2c1 ZINC001173799840 1132151641 /nfs/dbraw/zinc/15/16/41/1132151641.db2.gz FUBMSTWFSBQUNT-UHFFFAOYSA-N -1 0 333.340 3.675 20 0 EHADRM COc1cccc(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)c1 ZINC001173829304 1132161387 /nfs/dbraw/zinc/16/13/87/1132161387.db2.gz SJHVTYLAURNNCA-UHFFFAOYSA-N -1 0 329.377 3.839 20 0 EHADRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)c2ccccc2n1 ZINC000181883136 1132175966 /nfs/dbraw/zinc/17/59/66/1132175966.db2.gz KAGCPMREOCOWKQ-IBGZPJMESA-N -1 0 348.402 3.797 20 0 EHADRM COc1ccc(Nc2ccc3ccccc3c2S(=O)(=O)[O-])c(F)c1 ZINC001174145019 1132253364 /nfs/dbraw/zinc/25/33/64/1132253364.db2.gz BWSBTAIGAHEGBN-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM COc1ccc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)cc1Cl ZINC001174153548 1132257138 /nfs/dbraw/zinc/25/71/38/1132257138.db2.gz CQRUZWKRTPPJRV-UHFFFAOYSA-N -1 0 348.207 3.992 20 0 EHADRM CCn1cc(-c2nc(-c3ccc4[n-]c(=S)sc4c3)no2)cn1 ZINC001212763678 1132304036 /nfs/dbraw/zinc/30/40/36/1132304036.db2.gz KUZUBFPKTINGOM-UHFFFAOYSA-N -1 0 329.410 3.518 20 0 EHADRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccn2)c1 ZINC000182949297 1132311793 /nfs/dbraw/zinc/31/17/93/1132311793.db2.gz UONGPAUNZAELRU-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000745966520 1132341135 /nfs/dbraw/zinc/34/11/35/1132341135.db2.gz MZYQBKZYYBAGGW-AWEZNQCLSA-N -1 0 341.448 3.546 20 0 EHADRM CN(c1cccc(/C=C/C(=O)[O-])c1)c1ncc(C(F)(F)F)cc1N ZINC001174495432 1132371799 /nfs/dbraw/zinc/37/17/99/1132371799.db2.gz QKQFJXPNACQTTN-AATRIKPKSA-N -1 0 337.301 3.548 20 0 EHADRM COc1cc(Nc2cccc(/C=C/C(=O)[O-])c2)ncc1C(F)(F)F ZINC001174496666 1132371871 /nfs/dbraw/zinc/37/18/71/1132371871.db2.gz PIIIURLZQGPBSX-AATRIKPKSA-N -1 0 338.285 3.950 20 0 EHADRM Cc1cc(Br)nc(Nc2cccc(/C=C/C(=O)[O-])c2)c1 ZINC001174495710 1132372031 /nfs/dbraw/zinc/37/20/31/1132372031.db2.gz VNRXFJWMKQDKKC-AATRIKPKSA-N -1 0 333.185 3.994 20 0 EHADRM COC(=O)c1ccc(Nc2cccc(/C=C/C(=O)[O-])c2)cc1Cl ZINC001174496558 1132372339 /nfs/dbraw/zinc/37/23/39/1132372339.db2.gz MRGMBEAFCVHLHH-VMPITWQZSA-N -1 0 331.755 3.968 20 0 EHADRM COC(=O)c1oc2ccccc2c1Nc1ccc(C(=O)[O-])cc1OC ZINC001174673636 1132432851 /nfs/dbraw/zinc/43/28/51/1132432851.db2.gz JYNDKLLAEKFEQA-UHFFFAOYSA-N -1 0 341.319 3.670 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cc(-c2ccccc2C)nn1C ZINC001174676181 1132432917 /nfs/dbraw/zinc/43/29/17/1132432917.db2.gz AHHNVVHEHYPROG-UHFFFAOYSA-N -1 0 337.379 3.846 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1ccc(C2=NC(C)(C)CO2)cc1 ZINC001174679557 1132434643 /nfs/dbraw/zinc/43/46/43/1132434643.db2.gz BTIRQAKDSGQXBB-UHFFFAOYSA-N -1 0 340.379 3.692 20 0 EHADRM COc1cc(Nc2ncc(C(F)(F)F)cc2F)ccc1C(=O)[O-] ZINC001174680990 1132434758 /nfs/dbraw/zinc/43/47/58/1132434758.db2.gz HHWXLRJZINCSHP-UHFFFAOYSA-N -1 0 330.237 3.690 20 0 EHADRM COc1cc(Nc2ccc(O)c(Br)c2)ccc1C(=O)[O-] ZINC001174685333 1132435864 /nfs/dbraw/zinc/43/58/64/1132435864.db2.gz RJHFQVHWVKOWKV-UHFFFAOYSA-N -1 0 338.157 3.605 20 0 EHADRM COc1cc(Nc2cc(OC)c(C(F)(F)F)cn2)ccc1C(=O)[O-] ZINC001174682997 1132436095 /nfs/dbraw/zinc/43/60/95/1132436095.db2.gz KGFPCVGGHCRZQJ-UHFFFAOYSA-N -1 0 342.273 3.559 20 0 EHADRM COc1cc(Nc2ccc(Cl)c3nsnc32)ccc1C(=O)[O-] ZINC001174686555 1132437034 /nfs/dbraw/zinc/43/70/34/1132437034.db2.gz RAJAAHZTBFOGOB-UHFFFAOYSA-N -1 0 335.772 3.795 20 0 EHADRM Cc1cc(C)c(Nc2ccc3c(c2)CCCO3)c(S(=O)(=O)[O-])c1 ZINC001174722214 1132451640 /nfs/dbraw/zinc/45/16/40/1132451640.db2.gz GHXWTQKTKDQAGD-UHFFFAOYSA-N -1 0 333.409 3.619 20 0 EHADRM Cc1cc(-n2cccn2)ccc1NS(=O)(=O)c1cccc(Cl)c1 ZINC000190380683 1132453617 /nfs/dbraw/zinc/45/36/17/1132453617.db2.gz HCEFNYLJZRZYQV-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM COc1ccc(-c2cc(Nc3ccc(C(=O)[O-])s3)n(C)n2)cc1 ZINC001174805395 1132478057 /nfs/dbraw/zinc/47/80/57/1132478057.db2.gz CHHVSSQQEFFIKC-UHFFFAOYSA-N -1 0 329.381 3.599 20 0 EHADRM C[C@@H](C1CC1)N(C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])C1CC1 ZINC000193797081 1132483019 /nfs/dbraw/zinc/48/30/19/1132483019.db2.gz ACZXCLQQIXXRKX-NSHDSACASA-N -1 0 345.830 3.634 20 0 EHADRM Cc1onc(-c2ccc(F)cc2)c1C(=O)NCCCCCCC(=O)[O-] ZINC000746367445 1132499195 /nfs/dbraw/zinc/49/91/95/1132499195.db2.gz AWUDYXUCNHFCEU-UHFFFAOYSA-N -1 0 348.374 3.554 20 0 EHADRM CCC[C@@](C)(NC(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)[O-] ZINC000746372073 1132500931 /nfs/dbraw/zinc/50/09/31/1132500931.db2.gz IOEOKZTYGKLJQR-LJQANCHMSA-N -1 0 345.370 3.991 20 0 EHADRM Cc1cc(C)c(/C=C/C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1C ZINC000746372591 1132502523 /nfs/dbraw/zinc/50/25/23/1132502523.db2.gz MCMJKBQYJBWONW-MDZDMXLPSA-N -1 0 337.419 3.982 20 0 EHADRM O=S(=O)([O-])c1ccc(Nc2ccc(F)c(F)c2F)c(Cl)c1 ZINC001174971678 1132508688 /nfs/dbraw/zinc/50/86/88/1132508688.db2.gz JTETWMBHSXVZKZ-UHFFFAOYSA-N -1 0 337.706 3.748 20 0 EHADRM CC[C@](C)([N-]S(=O)(=O)/C=C\c1ccc(Cl)cc1)C(F)(F)F ZINC000746400526 1132510253 /nfs/dbraw/zinc/51/02/53/1132510253.db2.gz JXDHFJVSVOERED-LAUAKBEESA-N -1 0 341.782 3.961 20 0 EHADRM Cn1c(NC(=O)c2c([O-])cccc2Cl)nc2cc(Cl)ccc21 ZINC000746402321 1132511443 /nfs/dbraw/zinc/51/14/43/1132511443.db2.gz BYJZHSUVKUWMNA-UHFFFAOYSA-N -1 0 336.178 3.838 20 0 EHADRM Nc1cc(F)c(Br)cc1Nc1ccc(CC(=O)[O-])cc1 ZINC001174953237 1132516341 /nfs/dbraw/zinc/51/63/41/1132516341.db2.gz MIYYMCBZDUJBRE-UHFFFAOYSA-N -1 0 339.164 3.541 20 0 EHADRM O=C([O-])Cc1ccc(Nc2c(Br)ccnc2Cl)cc1 ZINC001174950567 1132516483 /nfs/dbraw/zinc/51/64/83/1132516483.db2.gz SJZZLYUZPULPDE-UHFFFAOYSA-N -1 0 341.592 3.868 20 0 EHADRM CCOC(=O)Cc1ccc(Nc2ccc(CC(=O)[O-])cc2)c(Cl)c1 ZINC001174954135 1132517445 /nfs/dbraw/zinc/51/74/45/1132517445.db2.gz DVEJBCZGSJABGB-UHFFFAOYSA-N -1 0 347.798 3.816 20 0 EHADRM CCOC(=O)c1c(F)cc(F)cc1Nc1ccc(CC(=O)[O-])cc1 ZINC001174954568 1132517509 /nfs/dbraw/zinc/51/75/09/1132517509.db2.gz HZKHVULMWLODEH-UHFFFAOYSA-N -1 0 335.306 3.512 20 0 EHADRM COC(=O)c1cc(F)c(Cl)cc1Nc1ccc(CC(=O)[O-])cc1 ZINC001174956898 1132518416 /nfs/dbraw/zinc/51/84/16/1132518416.db2.gz SOWJYBFHFCYJDP-UHFFFAOYSA-N -1 0 337.734 3.636 20 0 EHADRM COC(=O)c1sc2ncccc2c1Nc1cc(C(=O)[O-])ccc1C ZINC001174982070 1132535659 /nfs/dbraw/zinc/53/56/59/1132535659.db2.gz SNUUDZSMHOUVEC-UHFFFAOYSA-N -1 0 342.376 3.833 20 0 EHADRM Cc1cnn(-c2cccc(F)c2)c1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175158895 1132570937 /nfs/dbraw/zinc/57/09/37/1132570937.db2.gz VCPDKPTWXQLLCU-UHFFFAOYSA-N -1 0 329.306 3.901 20 0 EHADRM COC(=O)c1oc2ccccc2c1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175160073 1132571607 /nfs/dbraw/zinc/57/16/07/1132571607.db2.gz DSAODTIJHFJKIK-UHFFFAOYSA-N -1 0 329.283 3.800 20 0 EHADRM CCOC(=O)CCc1cccc(Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC001175162334 1132585645 /nfs/dbraw/zinc/58/56/45/1132585645.db2.gz TZOTYPZUFADOJA-UHFFFAOYSA-N -1 0 331.343 3.763 20 0 EHADRM CN1C(=O)CC(C)(C)c2cc(Nc3ccc(C(=O)[O-])c(F)c3)ccc21 ZINC001175162332 1132586076 /nfs/dbraw/zinc/58/60/76/1132586076.db2.gz TXBNRNDEVBVWKN-UHFFFAOYSA-N -1 0 342.370 3.912 20 0 EHADRM Cc1ccc(Nc2ccc(F)c(C(=O)[O-])c2)c(Br)n1 ZINC001175215101 1132596811 /nfs/dbraw/zinc/59/68/11/1132596811.db2.gz HKFLXHMAMWZUKQ-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM Cc1ncc(Br)cc1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175215520 1132597836 /nfs/dbraw/zinc/59/78/36/1132597836.db2.gz JPBXZBZKMCMZQJ-UHFFFAOYSA-N -1 0 325.137 3.733 20 0 EHADRM Cc1ccccc1-c1cc(Nc2ccc(F)c(C(=O)[O-])c2)n(C)n1 ZINC001175220891 1132598533 /nfs/dbraw/zinc/59/85/33/1132598533.db2.gz QPJYRRTWFOXQRQ-UHFFFAOYSA-N -1 0 325.343 3.976 20 0 EHADRM COC(=O)c1sc2ccncc2c1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175219647 1132598771 /nfs/dbraw/zinc/59/87/71/1132598771.db2.gz CBAFRTADBBWXTJ-UHFFFAOYSA-N -1 0 346.339 3.664 20 0 EHADRM O=C([O-])c1cc(Nc2cnc(Br)c(F)c2)ccc1F ZINC001175220374 1132599028 /nfs/dbraw/zinc/59/90/28/1132599028.db2.gz MSURLXYGGHJJDI-UHFFFAOYSA-N -1 0 329.100 3.564 20 0 EHADRM Cc1cc(Br)cc(Nc2ccc(F)c(C(=O)[O-])c2)c1N ZINC001175220504 1132599054 /nfs/dbraw/zinc/59/90/54/1132599054.db2.gz RZBVTDONUQBLMB-UHFFFAOYSA-N -1 0 339.164 3.921 20 0 EHADRM Nc1cnc(Nc2ccc(C(=O)[O-])c(Cl)c2)c(Br)c1 ZINC001175316701 1132636275 /nfs/dbraw/zinc/63/62/75/1132636275.db2.gz YJYGQBQBAUBEGO-UHFFFAOYSA-N -1 0 342.580 3.522 20 0 EHADRM COc1ccc(NC(C)=O)c(Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001175318608 1132636882 /nfs/dbraw/zinc/63/68/82/1132636882.db2.gz AFEJWEYINFTCLN-UHFFFAOYSA-N -1 0 334.759 3.749 20 0 EHADRM COc1cc(OC)c(Nc2ccc(C(=O)[O-])c(Cl)c2)cc1F ZINC001175319150 1132637404 /nfs/dbraw/zinc/63/74/04/1132637404.db2.gz OBRAUVDSVSDMMR-UHFFFAOYSA-N -1 0 325.723 3.938 20 0 EHADRM COC(=O)c1cc(Nc2ccc(C(=O)[O-])c(Cl)c2)cc(OC)c1 ZINC001175319945 1132637986 /nfs/dbraw/zinc/63/79/86/1132637986.db2.gz JXUXSDFOQNPQLU-UHFFFAOYSA-N -1 0 335.743 3.577 20 0 EHADRM COC(=O)c1cccc(OC)c1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175320693 1132638255 /nfs/dbraw/zinc/63/82/55/1132638255.db2.gz VGCPHOWNCYHIPL-UHFFFAOYSA-N -1 0 335.743 3.577 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc3c(c2)CN(C2CC2)C3=O)cc1Cl ZINC001175320640 1132638431 /nfs/dbraw/zinc/63/84/31/1132638431.db2.gz HYEUUNMGJWYURS-UHFFFAOYSA-N -1 0 342.782 3.900 20 0 EHADRM O=C([O-])c1cccc(Nc2cc(Br)cnc2Cl)c1 ZINC001175327401 1132639117 /nfs/dbraw/zinc/63/91/17/1132639117.db2.gz JQMQBRMEZQTPSI-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM Nc1cccc(F)c1N(c1cccc(C(=O)[O-])c1)[C@H]1CC[C@H](O)CC1 ZINC001175334838 1132641821 /nfs/dbraw/zinc/64/18/21/1132641821.db2.gz KZXCBHNBZZDNKK-CTYIDZIISA-N -1 0 344.386 3.548 20 0 EHADRM O=C([O-])c1cc(Cl)cnc1NCc1c(Cl)cncc1Cl ZINC001169183402 1132693811 /nfs/dbraw/zinc/69/38/11/1132693811.db2.gz JAIQAVYJNQJUPG-UHFFFAOYSA-N -1 0 332.574 3.747 20 0 EHADRM O=S(=O)([O-])c1ccc2ccc(Nc3cnn(C4CCC4)c3)cc2c1 ZINC001175758259 1132759690 /nfs/dbraw/zinc/75/96/90/1132759690.db2.gz DMXNHOZQZIOJGJ-UHFFFAOYSA-N -1 0 343.408 3.752 20 0 EHADRM O=c1cc(CNc2nc(C3CC3)nc3sc4c(c32)CCCC4)o[n-]1 ZINC001169481570 1132765939 /nfs/dbraw/zinc/76/59/39/1132765939.db2.gz JGUZLMVNZFPYKT-UHFFFAOYSA-N -1 0 342.424 3.753 20 0 EHADRM COc1cc(Nc2cncc(C(=O)[O-])c2)c(C)cc1Br ZINC001175842902 1132773567 /nfs/dbraw/zinc/77/35/67/1132773567.db2.gz UBPCBLZCEOTCEN-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM O=S(=O)([O-])c1ccc(Cl)c(Nc2ccccc2OC(F)F)c1 ZINC001176015005 1132819920 /nfs/dbraw/zinc/81/99/20/1132819920.db2.gz SYMKHWANIYNVIS-UHFFFAOYSA-N -1 0 349.742 3.932 20 0 EHADRM O=C([O-])c1ccc(Nc2cc(C(=O)N3CCCC3)ccc2F)cc1 ZINC001176212971 1132876417 /nfs/dbraw/zinc/87/64/17/1132876417.db2.gz FWKFROBLSXXQBH-UHFFFAOYSA-N -1 0 328.343 3.504 20 0 EHADRM Cc1cc(/C=C\C(=O)N(CC(=O)[O-])C2CC2)c(C)n1C1CCCCC1 ZINC000766939540 1132919615 /nfs/dbraw/zinc/91/96/15/1132919615.db2.gz HWYCNFPZOADTSW-FLIBITNWSA-N -1 0 344.455 3.699 20 0 EHADRM COc1ccc(Br)cc1Nc1csc(C(=O)[O-])c1 ZINC001176437568 1132928849 /nfs/dbraw/zinc/92/88/49/1132928849.db2.gz UPYDPMRVMGIQBY-UHFFFAOYSA-N -1 0 328.187 3.961 20 0 EHADRM CCOC(=O)c1ccc2c(cccc2Nc2csc(C(=O)[O-])c2)n1 ZINC001176440364 1132930147 /nfs/dbraw/zinc/93/01/47/1132930147.db2.gz LOAOJAWVWKHCQV-UHFFFAOYSA-N -1 0 342.376 3.915 20 0 EHADRM Cc1noc(-c2ccc(Nc3ccc(C4(C(=O)[O-])CC4)cc3)cc2)n1 ZINC001176588983 1132961845 /nfs/dbraw/zinc/96/18/45/1132961845.db2.gz RYZUCIXQXVURGG-UHFFFAOYSA-N -1 0 335.363 3.905 20 0 EHADRM COCCOc1cccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c1 ZINC001176587888 1132961891 /nfs/dbraw/zinc/96/18/91/1132961891.db2.gz BJAKEPNGINDWLD-UHFFFAOYSA-N -1 0 327.380 3.572 20 0 EHADRM COC(=O)c1c(F)ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)c1F ZINC001176595073 1132963623 /nfs/dbraw/zinc/96/36/23/1132963623.db2.gz BPERYILMEWJKGW-RUDMXATFSA-N -1 0 333.290 3.593 20 0 EHADRM Cn1nc(Nc2ccc(C(=O)[O-])cc2)c2ccc(Br)cc21 ZINC001176707016 1132994318 /nfs/dbraw/zinc/99/43/18/1132994318.db2.gz DKWBSFSETKGTAG-UHFFFAOYSA-N -1 0 346.184 3.778 20 0 EHADRM COCCn1nc(-c2ccccc2)cc1Nc1ccc(C(=O)[O-])cc1 ZINC001176711316 1132995411 /nfs/dbraw/zinc/99/54/11/1132995411.db2.gz WYSWMQCTFFYDBB-UHFFFAOYSA-N -1 0 337.379 3.638 20 0 EHADRM COc1cc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cnc1Cl ZINC000767440940 1132997118 /nfs/dbraw/zinc/99/71/18/1132997118.db2.gz WMGUDIGWMZDWBA-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)[C@@H](C)CC1CCCC1 ZINC000767568729 1133020614 /nfs/dbraw/zinc/02/06/14/1133020614.db2.gz FPQUCLGLMQCQML-LBPRGKRZSA-N -1 0 343.876 3.670 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)[C@H](C)CC1CCCC1 ZINC000767568728 1133020939 /nfs/dbraw/zinc/02/09/39/1133020939.db2.gz FPQUCLGLMQCQML-GFCCVEGCSA-N -1 0 343.876 3.670 20 0 EHADRM Cc1n[nH]c(C)c1CCC(=O)Nc1c(Cl)ccc([O-])c1Cl ZINC001177039345 1133025016 /nfs/dbraw/zinc/02/50/16/1133025016.db2.gz FDAZCFAZOGWNEH-UHFFFAOYSA-N -1 0 328.199 3.610 20 0 EHADRM O=C(Cc1csc(Cc2ccccc2)n1)Nc1ccc(F)c(O)c1 ZINC001177291648 1133047827 /nfs/dbraw/zinc/04/78/27/1133047827.db2.gz FQXSPFRMTPLYGG-UHFFFAOYSA-N -1 0 342.395 3.760 20 0 EHADRM CC(C)n1cc2ccc(NC(=O)c3n[n-]c4ccccc4c3=O)cc2n1 ZINC000768147616 1133097174 /nfs/dbraw/zinc/09/71/74/1133097174.db2.gz UZLAJRXBBPUAOM-UHFFFAOYSA-N -1 0 347.378 3.518 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000262250981 1133229711 /nfs/dbraw/zinc/22/97/11/1133229711.db2.gz VMUYOUNWYTYEHK-RDTXWAMCSA-N -1 0 329.440 3.804 20 0 EHADRM Cc1c(Cl)cc(NC(=O)[C@@H]2CC23CCOCC3)c([O-])c1Cl ZINC001179318615 1133244154 /nfs/dbraw/zinc/24/41/54/1133244154.db2.gz ZODCRMJDNYFBDW-VIFPVBQESA-N -1 0 330.211 3.763 20 0 EHADRM C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000769245676 1133250623 /nfs/dbraw/zinc/25/06/23/1133250623.db2.gz KZRXGJYXPXIRDS-VIFPVBQESA-N -1 0 332.356 3.662 20 0 EHADRM CC(C)(C)c1ccc(/C=C/C(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000769530158 1133309171 /nfs/dbraw/zinc/30/91/71/1133309171.db2.gz GYMHZWRHAGBQMM-YCABEKBOSA-N -1 0 329.440 3.711 20 0 EHADRM CCC[N@H+](Cc1nc(=O)c2sccc2[n-]1)C[C@@]1(C)CCCCO1 ZINC001180367682 1133367453 /nfs/dbraw/zinc/36/74/53/1133367453.db2.gz AWQAUAMSFCUABN-QGZVFWFLSA-N -1 0 335.473 3.568 20 0 EHADRM O=C([O-])C1(C(=O)N(Cc2ccccn2)C2CCCCC2)CCCCC1 ZINC001180438012 1133370957 /nfs/dbraw/zinc/37/09/57/1133370957.db2.gz JBUZJBQBEGFEMY-UHFFFAOYSA-N -1 0 344.455 3.778 20 0 EHADRM C[S@](=O)(=NC(=O)c1cc(F)c([O-])c(Cl)c1)c1cccc(F)c1 ZINC001180567054 1133393223 /nfs/dbraw/zinc/39/32/23/1133393223.db2.gz BELNKAXJVPFSMV-JOCHJYFZSA-N -1 0 345.754 3.621 20 0 EHADRM CC(C)C[C@@H](C(=O)[N-]OCCOc1ccccc1)c1ccccc1 ZINC001180648157 1133402634 /nfs/dbraw/zinc/40/26/34/1133402634.db2.gz DIFDJLURELCXKE-LJQANCHMSA-N -1 0 327.424 3.943 20 0 EHADRM CCc1ccc(C(C)(C)C(=O)[N-]OCCOc2ccccc2)cc1 ZINC001180650030 1133402970 /nfs/dbraw/zinc/40/29/70/1133402970.db2.gz WTJOQDBDZGQRRM-UHFFFAOYSA-N -1 0 327.424 3.653 20 0 EHADRM CCNc1nc(C)c(C(=O)Nc2cc(F)cc(Cl)c2[O-])s1 ZINC000771746968 1133591858 /nfs/dbraw/zinc/59/18/58/1133591858.db2.gz ZYGOMRXSWGXQBO-UHFFFAOYSA-N -1 0 329.784 3.634 20 0 EHADRM CCCCOc1ccc(CCNC(=O)c2ccc(F)cc2[O-])cc1 ZINC001182382174 1133643311 /nfs/dbraw/zinc/64/33/11/1133643311.db2.gz UWGZRXNKVHARSS-UHFFFAOYSA-N -1 0 331.387 3.683 20 0 EHADRM CCN(C)c1ccccc1CNC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000772229953 1133658891 /nfs/dbraw/zinc/65/88/91/1133658891.db2.gz JONZNOWLBNAVRG-UHFFFAOYSA-N -1 0 336.794 3.571 20 0 EHADRM Cc1cc(NC(=O)c2c([O-])cccc2F)ccc1N1CCSCC1 ZINC000772662614 1133709012 /nfs/dbraw/zinc/70/90/12/1133709012.db2.gz BIKYECKBRJNLBN-UHFFFAOYSA-N -1 0 346.427 3.645 20 0 EHADRM Cc1ccc(CNC(=O)c2c([O-])cc(F)cc2F)c(OC(C)C)c1 ZINC001182942369 1133750789 /nfs/dbraw/zinc/75/07/89/1133750789.db2.gz SRZJKOQCGNWUFA-UHFFFAOYSA-N -1 0 335.350 3.696 20 0 EHADRM O=C(Cc1ccc([S-])cc1)Nc1cc(OC(F)(F)F)ccc1O ZINC001183188230 1133776552 /nfs/dbraw/zinc/77/65/52/1133776552.db2.gz JRDXTHIEIBPIQX-UHFFFAOYSA-N -1 0 343.326 3.761 20 0 EHADRM Cc1ccc([C@@]2(C)CN(C(=O)Cc3ccc([S-])cc3)CCO2)cc1 ZINC001183191073 1133777844 /nfs/dbraw/zinc/77/78/44/1133777844.db2.gz QMNNUXAYFUHFOT-HXUWFJFHSA-N -1 0 341.476 3.600 20 0 EHADRM CC(C)c1ccc(O[C@H](C)CNC(=O)c2c([O-])cc(F)cc2F)cc1 ZINC001183415039 1133804129 /nfs/dbraw/zinc/80/41/29/1133804129.db2.gz GGAAIRYNWCNZQE-GFCCVEGCSA-N -1 0 349.377 3.991 20 0 EHADRM Cc1ccc([C@@H](O)C(=O)Nc2ccc3[n-]c(=S)sc3c2)cc1 ZINC001183645439 1133834701 /nfs/dbraw/zinc/83/47/01/1133834701.db2.gz LDQBACTUGXZLCR-CQSZACIVSA-N -1 0 330.434 3.566 20 0 EHADRM CC(C)(C)OC(=O)N[C@@H](CC(=O)Nc1ccccc1[S-])C1CC1 ZINC001183681559 1133840190 /nfs/dbraw/zinc/84/01/90/1133840190.db2.gz GITLTLNOFFPLLI-ZDUSSCGKSA-N -1 0 336.457 3.607 20 0 EHADRM CON(C)C(=O)c1cccc(-c2cc(Cl)c([O-])c(Cl)c2)c1 ZINC001242853592 1133847322 /nfs/dbraw/zinc/84/73/22/1133847322.db2.gz ALAYTQYJTUWHIF-UHFFFAOYSA-N -1 0 326.179 3.999 20 0 EHADRM CC(C)(C)Oc1cccc(CNC(=O)c2c([O-])cc(F)cc2F)c1 ZINC001184217687 1133909411 /nfs/dbraw/zinc/90/94/11/1133909411.db2.gz QJFZNDZVKNIENL-UHFFFAOYSA-N -1 0 335.350 3.778 20 0 EHADRM O=S(=O)(Cc1ccc(Cl)cc1Cl)[N-]C1(C(F)(F)F)CC1 ZINC001184533238 1133950342 /nfs/dbraw/zinc/95/03/42/1133950342.db2.gz RZGQJOLUURENJP-UHFFFAOYSA-N -1 0 348.173 3.508 20 0 EHADRM Cc1ccc2ccccc2c1[N-]S(=O)(=O)c1cccnc1Cl ZINC001184825852 1133994165 /nfs/dbraw/zinc/99/41/65/1133994165.db2.gz FGTCYTZMLPTKPP-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM O=S(=O)([N-]c1ccccc1-c1ccncc1)c1cccnc1Cl ZINC001184880224 1134002205 /nfs/dbraw/zinc/00/22/05/1134002205.db2.gz JXOQJBIOKWHWJQ-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM O=C(CC1CCN(CC(F)(F)F)CC1)Nc1ccccc1[S-] ZINC001184920210 1134005186 /nfs/dbraw/zinc/00/51/86/1134005186.db2.gz GYDLPBOLOAYOQH-UHFFFAOYSA-N -1 0 332.391 3.578 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)oc2c1)[C@H]1CCCN1c1ccccc1 ZINC000787436848 1134010006 /nfs/dbraw/zinc/01/00/06/1134010006.db2.gz JLAMGTUOQCIDQG-OAHLLOKOSA-N -1 0 339.420 3.724 20 0 EHADRM C[C@@H]1C[C@@H]1c1ncc(C(=O)Nc2ccc3[n-]c(=S)sc3c2)cn1 ZINC001185139416 1134034745 /nfs/dbraw/zinc/03/47/45/1134034745.db2.gz GUDOMCHZAKGSAX-KCJUWKMLSA-N -1 0 342.449 3.751 20 0 EHADRM O=S(=O)(Nc1cc(C(F)(F)F)ccc1[S-])c1ccsc1 ZINC001185383177 1134076543 /nfs/dbraw/zinc/07/65/43/1134076543.db2.gz WYWFFORREYTDOM-UHFFFAOYSA-N -1 0 339.385 3.856 20 0 EHADRM O=S(=O)([N-]c1cccc2nsnc21)c1cc2ccccc2s1 ZINC001185420935 1134081462 /nfs/dbraw/zinc/08/14/62/1134081462.db2.gz AOSXKDTWFNHZRF-UHFFFAOYSA-N -1 0 347.446 3.707 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2cc3ccccc3s2)on1 ZINC001185425323 1134082274 /nfs/dbraw/zinc/08/22/74/1134082274.db2.gz NHHFZDBACLVTBW-UHFFFAOYSA-N -1 0 336.438 3.988 20 0 EHADRM O=S(=O)([N-]c1cnc2ccccc2n1)c1cc2ccccc2s1 ZINC001185429495 1134084572 /nfs/dbraw/zinc/08/45/72/1134084572.db2.gz OIMPTDNGOMGGRU-UHFFFAOYSA-N -1 0 341.417 3.645 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])c1ccc(NC(=O)Nc2cccnc2)cc1 ZINC001185696069 1134121389 /nfs/dbraw/zinc/12/13/89/1134121389.db2.gz YDTNIOUYNFYREB-OAHLLOKOSA-N -1 0 327.384 3.940 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cccc(F)c2C)c2ccsc2n1 ZINC001185801884 1134135514 /nfs/dbraw/zinc/13/55/14/1134135514.db2.gz XTENTCXPIAJYPF-UHFFFAOYSA-N -1 0 336.413 3.853 20 0 EHADRM CSc1cc(C)nc(SC)c1NC(=O)c1ccc(CO)cc1 ZINC001186092175 1134168639 /nfs/dbraw/zinc/16/86/39/1134168639.db2.gz CHPAODKKQSOIIM-UHFFFAOYSA-N -1 0 334.466 3.578 20 0 EHADRM CN(Cc1ncccc1C(F)(F)F)C(=O)c1cccc([S-])c1 ZINC001186141440 1134174007 /nfs/dbraw/zinc/17/40/07/1134174007.db2.gz VLRYEGKMDCTMNL-UHFFFAOYSA-N -1 0 326.343 3.661 20 0 EHADRM COc1cccc([C@@H]2CSCCN2C(=O)c2cccc([S-])c2)c1 ZINC001186149709 1134175823 /nfs/dbraw/zinc/17/58/23/1134175823.db2.gz SOTDTSGIRPDQBJ-KRWDZBQOSA-N -1 0 345.489 3.914 20 0 EHADRM CC(=O)c1sccc1[N-]S(=O)(=O)c1csc2ccccc21 ZINC001186463762 1134224711 /nfs/dbraw/zinc/22/47/11/1134224711.db2.gz GWEYQZPMCJOVAV-UHFFFAOYSA-N -1 0 337.447 3.966 20 0 EHADRM CC(C)Cn1cnc([N-]S(=O)(=O)c2csc3ccccc32)c1 ZINC001186464543 1134225745 /nfs/dbraw/zinc/22/57/45/1134225745.db2.gz VLLRQBDUIPKCOU-UHFFFAOYSA-N -1 0 335.454 3.555 20 0 EHADRM C/C=C(/CC)C(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000789335004 1134259196 /nfs/dbraw/zinc/25/91/96/1134259196.db2.gz DNAMIAOJMRCWMM-BNNQUZSASA-N -1 0 335.469 3.896 20 0 EHADRM Cc1ccc(CS(=O)(=O)Nc2nc(Cl)ccc2Cl)c(F)c1 ZINC000775063047 1134275207 /nfs/dbraw/zinc/27/52/07/1134275207.db2.gz NHMYQULLABMBRE-UHFFFAOYSA-N -1 0 349.214 3.778 20 0 EHADRM O=C(NCc1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000218756789 1134335049 /nfs/dbraw/zinc/33/50/49/1134335049.db2.gz GWXSMNJEBMRDQY-UHFFFAOYSA-N -1 0 341.150 3.537 20 0 EHADRM O=C([O-])c1cc(NCc2c(F)cccc2Cl)cc2c1OCCO2 ZINC000789901608 1134347877 /nfs/dbraw/zinc/34/78/77/1134347877.db2.gz BIBRNVRODGAQJT-UHFFFAOYSA-N -1 0 337.734 3.561 20 0 EHADRM COc1ccccc1/C=C/CNc1cc(C(=O)[O-])cc(OC)c1OC ZINC000789901862 1134348203 /nfs/dbraw/zinc/34/82/03/1134348203.db2.gz FSNDWMMMJJPSCS-SOFGYWHQSA-N -1 0 343.379 3.536 20 0 EHADRM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc([O-])c(Cl)c1 ZINC000075536268 1134368675 /nfs/dbraw/zinc/36/86/75/1134368675.db2.gz JPHPZMHOTNMXSS-RDJZCZTQSA-N -1 0 340.810 3.958 20 0 EHADRM C[C@H]1CC(C)(C)CC[C@@H]1[N-]S(=O)(=O)c1onc(C2CC2)c1Cl ZINC001187761075 1134381223 /nfs/dbraw/zinc/38/12/23/1134381223.db2.gz QFQMKPFDCPYZSU-ONGXEEELSA-N -1 0 346.880 3.699 20 0 EHADRM C[C@@H]1CC(C)(C)CC[C@H]1[N-]S(=O)(=O)c1onc(C2CC2)c1Cl ZINC001187761074 1134381251 /nfs/dbraw/zinc/38/12/51/1134381251.db2.gz QFQMKPFDCPYZSU-MWLCHTKSSA-N -1 0 346.880 3.699 20 0 EHADRM Cc1ccccc1-c1ccc([N-]S(=O)(=O)c2nccs2)cc1 ZINC001187894120 1134393808 /nfs/dbraw/zinc/39/38/08/1134393808.db2.gz CENKZVCIKJQBRW-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM O=S(=O)([N-]c1ccc(CCc2ccccc2)cc1)c1nccs1 ZINC001187890978 1134398824 /nfs/dbraw/zinc/39/88/24/1134398824.db2.gz DLRYQLLHBXDENK-UHFFFAOYSA-N -1 0 344.461 3.729 20 0 EHADRM CC(C)[C@@H](NC(=O)c1cccc(Cl)c1[O-])[C@H](O)c1ccccc1 ZINC000790394878 1134408813 /nfs/dbraw/zinc/40/88/13/1134408813.db2.gz GFTDKZMCJVMKDD-HZPDHXFCSA-N -1 0 333.815 3.534 20 0 EHADRM CN(Cc1ccccc1Oc1ccccc1)C(=O)c1ccncc1[O-] ZINC001188629821 1134490662 /nfs/dbraw/zinc/49/06/62/1134490662.db2.gz QWACUIRYZHZNHG-UHFFFAOYSA-N -1 0 334.375 3.852 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)on1 ZINC001188801968 1134509725 /nfs/dbraw/zinc/50/97/25/1134509725.db2.gz NFIBQDLMYYHWCN-UHFFFAOYSA-N -1 0 328.349 3.683 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(F)c(C(=O)N3CCCC3)c2)cc1 ZINC001188862157 1134514655 /nfs/dbraw/zinc/51/46/55/1134514655.db2.gz VXAGPSGOHKRRKG-UHFFFAOYSA-N -1 0 328.343 3.504 20 0 EHADRM CC(C)[C@H]1CCc2ccccc2[C@@H]1NS(=O)(=O)c1ccccc1[O-] ZINC001189019358 1134533320 /nfs/dbraw/zinc/53/33/20/1134533320.db2.gz GRJIEQOQMULFEJ-DNVCBOLYSA-N -1 0 345.464 3.630 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)C(F)(F)C1(O)CCCC1 ZINC000791394044 1134543199 /nfs/dbraw/zinc/54/31/99/1134543199.db2.gz XDIAZKHVOQBFNA-UHFFFAOYSA-N -1 0 340.153 3.578 20 0 EHADRM O=C([O-])c1cnc(-c2ccccc2)nc1/C=C/c1cnc2ccccn12 ZINC000791432231 1134548965 /nfs/dbraw/zinc/54/89/65/1134548965.db2.gz MOKHPVIVJWSACA-MDZDMXLPSA-N -1 0 342.358 3.660 20 0 EHADRM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc3ccccc3s2)c1 ZINC001189200816 1134551671 /nfs/dbraw/zinc/55/16/71/1134551671.db2.gz MTCLUOMSHCCOIF-UHFFFAOYSA-N -1 0 331.418 3.905 20 0 EHADRM CC(C)c1cc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)on1 ZINC001189354807 1134579805 /nfs/dbraw/zinc/57/98/05/1134579805.db2.gz BPFGLULUTUKHTD-UHFFFAOYSA-N -1 0 334.372 3.891 20 0 EHADRM O=S(=O)([N-]c1ccnc(Cl)c1)c1ccc(F)c2ccccc21 ZINC001189355017 1134579934 /nfs/dbraw/zinc/57/99/34/1134579934.db2.gz DUPULUVHQHQCQF-UHFFFAOYSA-N -1 0 336.775 3.828 20 0 EHADRM Cc1ccc2c(cccc2NS(=O)(=O)Cc2cccc(F)c2F)n1 ZINC001189455453 1134589981 /nfs/dbraw/zinc/58/99/81/1134589981.db2.gz GWOPQFKKHGSAII-UHFFFAOYSA-N -1 0 348.374 3.763 20 0 EHADRM COc1cc(Cl)ccc1[N-]S(=O)(=O)Cc1cc(F)ccc1F ZINC001189688694 1134611551 /nfs/dbraw/zinc/61/15/51/1134611551.db2.gz SHGUXSQIWPMYEF-UHFFFAOYSA-N -1 0 347.770 3.569 20 0 EHADRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C)cc(F)c1 ZINC000775296727 1134617686 /nfs/dbraw/zinc/61/76/86/1134617686.db2.gz JNJSZWOEFIYJHM-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCCC2(C)C)sc1C ZINC000775297228 1134620170 /nfs/dbraw/zinc/62/01/70/1134620170.db2.gz PWGVGEAYCPFHLB-ZDUSSCGKSA-N -1 0 343.514 3.776 20 0 EHADRM Cc1ccc2cccnc2c1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC001189824200 1134630578 /nfs/dbraw/zinc/63/05/78/1134630578.db2.gz RKQCUQLMHUZOGN-UHFFFAOYSA-N -1 0 348.374 3.763 20 0 EHADRM Cc1cc(Nc2ccc(C(=O)[O-])cc2F)n(-c2ccc(F)cc2)n1 ZINC001203286260 1134631416 /nfs/dbraw/zinc/63/14/16/1134631416.db2.gz MNIUZOQGDISERC-UHFFFAOYSA-N -1 0 329.306 3.901 20 0 EHADRM O=C([O-])c1ccc(Nc2nc(F)cc(C(F)(F)F)c2F)c(F)c1 ZINC001203286361 1134632019 /nfs/dbraw/zinc/63/20/19/1134632019.db2.gz ONVPBLJQSYPTHP-UHFFFAOYSA-N -1 0 336.191 3.960 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(Br)ccc2[S-])C2(CC2)C1 ZINC001189950098 1134640550 /nfs/dbraw/zinc/64/05/50/1134640550.db2.gz GFZLWUBYLIBDBL-VIFPVBQESA-N -1 0 326.259 3.752 20 0 EHADRM CCCCCC(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1C ZINC000792063299 1134646472 /nfs/dbraw/zinc/64/64/72/1134646472.db2.gz QPKACSSOHBKANM-UHFFFAOYSA-N -1 0 343.464 3.687 20 0 EHADRM O=C(Nc1noc2cnccc21)c1ncc(Cl)cc1C(F)(F)F ZINC001190703192 1134735011 /nfs/dbraw/zinc/73/50/11/1134735011.db2.gz FKSZWVIBBUHVJT-UHFFFAOYSA-N -1 0 342.664 3.542 20 0 EHADRM CSc1cc(C)nc(SC)c1[N-]C(=O)c1cccc(C(C)=O)n1 ZINC001190740221 1134744451 /nfs/dbraw/zinc/74/44/51/1134744451.db2.gz UMLRGNSDIAYLJK-UHFFFAOYSA-N -1 0 347.465 3.684 20 0 EHADRM O=c1cc(-c2nc(-c3ccccc3Cl)no2)[n-]n1-c1ccccc1 ZINC001212602020 1134746610 /nfs/dbraw/zinc/74/66/10/1134746610.db2.gz CRHMMFIHEZVADZ-UHFFFAOYSA-N -1 0 338.754 3.531 20 0 EHADRM O=S(=O)(NCC1(C2CCC2)CCC1)c1cc(Cl)ccc1F ZINC001191065948 1134785858 /nfs/dbraw/zinc/78/58/58/1134785858.db2.gz WQFFSJHMGKBQHV-UHFFFAOYSA-N -1 0 331.840 3.728 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1n[n-]c2ccccc2c1=O ZINC000792828086 1134798151 /nfs/dbraw/zinc/79/81/51/1134798151.db2.gz WNSJAMAOHQJHPY-CKEIUWERSA-N -1 0 347.418 3.742 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cccc3nc(C)cn32)cc1 ZINC001191223730 1134829527 /nfs/dbraw/zinc/82/95/27/1134829527.db2.gz FWHZTVHARBODOJ-UHFFFAOYSA-N -1 0 343.452 3.786 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cccc(F)c2OC)cc1 ZINC001191224019 1134830197 /nfs/dbraw/zinc/83/01/97/1134830197.db2.gz JXWIIPXUAQKUFB-UHFFFAOYSA-N -1 0 337.416 3.978 20 0 EHADRM O=S(=O)(CC1CCCC1)[N-]c1cc(C(F)(F)F)cc(Cl)n1 ZINC001191489174 1134872032 /nfs/dbraw/zinc/87/20/32/1134872032.db2.gz JYZASUSHLKGTOL-UHFFFAOYSA-N -1 0 342.770 3.686 20 0 EHADRM CC(C)(C)OC(=O)c1ccccc1[N-]S(=O)(=O)CC1CCCC1 ZINC001191535162 1134881851 /nfs/dbraw/zinc/88/18/51/1134881851.db2.gz GBNPMUYOZAOCJT-UHFFFAOYSA-N -1 0 339.457 3.574 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)cnc1Cl ZINC000775468616 1134896728 /nfs/dbraw/zinc/89/67/28/1134896728.db2.gz YFTFISWKIKLNHA-UHFFFAOYSA-N -1 0 347.827 3.839 20 0 EHADRM COc1ccc(C)c([N-]S(=O)(=O)c2cc(C(C)C)ccc2OC)c1 ZINC001191652009 1134899196 /nfs/dbraw/zinc/89/91/96/1134899196.db2.gz MDZXOSQVWFNTCX-UHFFFAOYSA-N -1 0 349.452 3.936 20 0 EHADRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cc(C)cc(C)n1 ZINC001191652447 1134899813 /nfs/dbraw/zinc/89/98/13/1134899813.db2.gz OQVHCJFKNZZWJN-UHFFFAOYSA-N -1 0 334.441 3.631 20 0 EHADRM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2ccncc2c1 ZINC001191821352 1134930978 /nfs/dbraw/zinc/93/09/78/1134930978.db2.gz KZUNFMJOADZAMU-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM CCc1cccc([N-]S(=O)(=O)c2ccc3cc(OC)ccc3c2)n1 ZINC001191940066 1134944441 /nfs/dbraw/zinc/94/44/41/1134944441.db2.gz JXWDJNCJVQLQAT-UHFFFAOYSA-N -1 0 342.420 3.607 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(-c3ccc(C)cc3)cc2)nn1C ZINC001192065514 1134963516 /nfs/dbraw/zinc/96/35/16/1134963516.db2.gz PURXDXQNISIVPR-UHFFFAOYSA-N -1 0 341.436 3.505 20 0 EHADRM C[C@@H]1CCC[C@@H](OCC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)C1 ZINC000747150678 1134999805 /nfs/dbraw/zinc/99/98/05/1134999805.db2.gz WXTXEZOKFUTDJG-IUODEOHRSA-N -1 0 345.361 3.849 20 0 EHADRM COc1ccc2c(c1)onc2[N-]S(=O)(=O)/C=C\c1ccc(C)cc1 ZINC000794042247 1135015280 /nfs/dbraw/zinc/01/52/80/1135015280.db2.gz LDCDRBGXDJNWFF-KTKRTIGZSA-N -1 0 344.392 3.557 20 0 EHADRM CSCCO[N-]C(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000794191368 1135026027 /nfs/dbraw/zinc/02/60/27/1135026027.db2.gz BPUKTHQGPLQVDD-MRXNPFEDSA-N -1 0 333.478 3.931 20 0 EHADRM CC(C)(C)OC(=O)c1ccccc1NC(=O)c1c([O-])ccc(F)c1F ZINC001192770687 1135052841 /nfs/dbraw/zinc/05/28/41/1135052841.db2.gz YJGSFQIYQDQYOV-UHFFFAOYSA-N -1 0 349.333 3.878 20 0 EHADRM CC1(C)CC(=O)Nc2c(NC(=O)c3ccc(F)c(F)c3[O-])cccc21 ZINC001192810025 1135057146 /nfs/dbraw/zinc/05/71/46/1135057146.db2.gz CNVLKXIEKKMLPN-UHFFFAOYSA-N -1 0 346.333 3.543 20 0 EHADRM CNc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)c(F)c1[O-] ZINC001192811819 1135058200 /nfs/dbraw/zinc/05/82/00/1135058200.db2.gz YYEUJBKZYKFIDO-UHFFFAOYSA-N -1 0 346.255 3.983 20 0 EHADRM Cc1cc(C(=O)Nc2ccc3[n-]c(=S)sc3c2)nc(Cl)n1 ZINC001192817303 1135059253 /nfs/dbraw/zinc/05/92/53/1135059253.db2.gz ZWCUGHVSASLWKH-UHFFFAOYSA-N -1 0 336.829 3.589 20 0 EHADRM O=S(=O)([N-]c1ccc(F)c(C2CC2)c1)c1cnccc1Cl ZINC001192902718 1135070266 /nfs/dbraw/zinc/07/02/66/1135070266.db2.gz MZMCRKYLXOQOEG-UHFFFAOYSA-N -1 0 326.780 3.552 20 0 EHADRM O=C(Nc1ccc(C(F)F)nc1)c1cc(Cl)nc(Cl)c1[O-] ZINC001193081386 1135096984 /nfs/dbraw/zinc/09/69/84/1135096984.db2.gz DEAMCVIEOKSTFI-UHFFFAOYSA-N -1 0 334.109 3.679 20 0 EHADRM Cc1cc2c(cccc2NC(=O)c2cc(Cl)nc(Cl)c2[O-])nn1 ZINC001193090517 1135098626 /nfs/dbraw/zinc/09/86/26/1135098626.db2.gz PKITWBSBYYODEK-UHFFFAOYSA-N -1 0 349.177 3.598 20 0 EHADRM Cc1ccc2[nH]cc(CN(C)C(=O)c3ccc(F)c([O-])c3F)c2c1 ZINC001193779704 1135179494 /nfs/dbraw/zinc/17/94/94/1135179494.db2.gz UWXCLMDJBLXUDK-UHFFFAOYSA-N -1 0 330.334 3.732 20 0 EHADRM CC(=O)c1ncccc1[N-]S(=O)(=O)c1ccc(C)c2ccccc21 ZINC001193833411 1135191045 /nfs/dbraw/zinc/19/10/45/1135191045.db2.gz CCZYSTUOOCMGGC-UHFFFAOYSA-N -1 0 340.404 3.547 20 0 EHADRM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c3ccccc32)cn1 ZINC001193833323 1135191222 /nfs/dbraw/zinc/19/12/22/1135191222.db2.gz NFXKXJXEHZELER-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM Cc1cnc([N-]S(=O)(=O)c2ccc3c(Cl)cccc3c2)c(C)n1 ZINC001194216829 1135245295 /nfs/dbraw/zinc/24/52/95/1135245295.db2.gz ITWPWLQHOVHOEA-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)NCCC1=CCCCC1 ZINC001194277188 1135247505 /nfs/dbraw/zinc/24/75/05/1135247505.db2.gz UYQWDJMOIGVHAP-UHFFFAOYSA-N -1 0 325.412 3.507 20 0 EHADRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)N[C@H](C)c1cccc(C)c1C ZINC001194279463 1135247635 /nfs/dbraw/zinc/24/76/35/1135247635.db2.gz VMOIARMEUCBDQP-OAHLLOKOSA-N -1 0 349.434 3.994 20 0 EHADRM O=S(=O)([N-]c1cc(Cl)cs1)c1ccc(C(F)(F)F)cn1 ZINC001194271880 1135253424 /nfs/dbraw/zinc/25/34/24/1135253424.db2.gz RNZVEXDMDKKAIK-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM CC(C)(C)COC(=O)Nc1cccc2cc(S(=O)(=O)[O-])ccc21 ZINC001194385960 1135262927 /nfs/dbraw/zinc/26/29/27/1135262927.db2.gz ZQGPLJHUFAPFDM-UHFFFAOYSA-N -1 0 337.397 3.681 20 0 EHADRM Cc1cnc([N-]S(=O)(=O)c2cccc3c(Cl)cccc32)nc1C ZINC001194404349 1135264822 /nfs/dbraw/zinc/26/48/22/1135264822.db2.gz QCAYQGPFLVWZAV-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM COc1cc(C)c(S(=O)(=O)Nc2ccccc2C(C)=O)c(C)c1C ZINC001194864799 1135331986 /nfs/dbraw/zinc/33/19/86/1135331986.db2.gz QIXDKWVABCJILO-UHFFFAOYSA-N -1 0 347.436 3.624 20 0 EHADRM CC(C)CCOC(=O)Nc1ccc(S(=O)(=O)[O-])c2ccccc12 ZINC001194875066 1135334240 /nfs/dbraw/zinc/33/42/40/1135334240.db2.gz SRVPTRPZHWYDKH-UHFFFAOYSA-N -1 0 337.397 3.681 20 0 EHADRM CC(C)(C)c1ccccc1[N-]S(=O)(=O)c1cccc2nccnc21 ZINC001194979123 1135350161 /nfs/dbraw/zinc/35/01/61/1135350161.db2.gz YSODIELNNITYPO-UHFFFAOYSA-N -1 0 341.436 3.728 20 0 EHADRM Cc1ccc2c(cccc2[N-]S(=O)(=O)c2cccc3nccnc32)c1 ZINC001194988589 1135351169 /nfs/dbraw/zinc/35/11/69/1135351169.db2.gz VYDTWLXGSCYGKX-UHFFFAOYSA-N -1 0 349.415 3.892 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)sc2c1)c1c[nH]c(=O)cc1Cl ZINC001195006110 1135353261 /nfs/dbraw/zinc/35/32/61/1135353261.db2.gz YEDDLMWSWYYSRE-UHFFFAOYSA-N -1 0 337.813 3.591 20 0 EHADRM O=C(Nc1c(Cl)c(F)[n-]c(=O)c1Cl)Oc1ccc(F)cc1 ZINC001195005504 1135353600 /nfs/dbraw/zinc/35/36/00/1135353600.db2.gz UDYXBDAZPYRQLW-UHFFFAOYSA-N -1 0 335.093 3.983 20 0 EHADRM Cc1ccc(-c2cc([N-]S(=O)(=O)CC[Si](C)(C)C)on2)cc1 ZINC001195040548 1135357849 /nfs/dbraw/zinc/35/78/49/1135357849.db2.gz GISNWKZDABLKCJ-UHFFFAOYSA-N -1 0 338.505 3.730 20 0 EHADRM Cc1nc(C(F)(F)F)c([N-]S(=O)(=O)CC[Si](C)(C)C)s1 ZINC001195040179 1135358282 /nfs/dbraw/zinc/35/82/82/1135358282.db2.gz ATOPWVIGTMTKDC-UHFFFAOYSA-N -1 0 346.472 3.550 20 0 EHADRM COc1cccc(C(C)=O)c1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC001195159936 1135384226 /nfs/dbraw/zinc/38/42/26/1135384226.db2.gz XULJFLCVWZJOPX-UHFFFAOYSA-N -1 0 347.436 3.822 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccnn1-c1ccccc1 ZINC001195276279 1135403723 /nfs/dbraw/zinc/40/37/23/1135403723.db2.gz BIZADHFMMSZPQH-UHFFFAOYSA-N -1 0 347.827 3.635 20 0 EHADRM CC(C)(C)C1CCN(C(=O)c2c([O-])c(F)c(F)c(F)c2F)CC1 ZINC001195279158 1135404538 /nfs/dbraw/zinc/40/45/38/1135404538.db2.gz NGYQPNUETRBQAM-UHFFFAOYSA-N -1 0 333.325 3.847 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cc(Cl)cc(CO)c1 ZINC001195309132 1135410912 /nfs/dbraw/zinc/41/09/12/1135410912.db2.gz ICNUUXJZSPWGLO-UHFFFAOYSA-N -1 0 346.235 3.595 20 0 EHADRM O=C(Nc1cccc(Oc2cnccn2)c1)c1cccc(Cl)c1[O-] ZINC000775656070 1135425780 /nfs/dbraw/zinc/42/57/80/1135425780.db2.gz OBKZXWTYTSZJFR-UHFFFAOYSA-N -1 0 341.754 3.880 20 0 EHADRM CCOC(=O)NC(=S)Nc1c(F)cccc1OC1CCCC1 ZINC001195493151 1135432714 /nfs/dbraw/zinc/43/27/14/1135432714.db2.gz XGPJQKOGUCKIAG-UHFFFAOYSA-N -1 0 326.393 3.590 20 0 EHADRM Cc1nc2ccc(C(=O)Nc3cc(Cl)c([O-])cc3F)cc2n1C ZINC000805260501 1135439820 /nfs/dbraw/zinc/43/98/20/1135439820.db2.gz UFOUGIGCXUHJRY-UHFFFAOYSA-N -1 0 333.750 3.632 20 0 EHADRM CCCC(=O)Nc1cccc(CNC(=O)c2cccc(Cl)c2[O-])c1 ZINC000775662906 1135441386 /nfs/dbraw/zinc/44/13/86/1135441386.db2.gz HZSGWLKQTSFXAP-UHFFFAOYSA-N -1 0 346.814 3.714 20 0 EHADRM CCN(CC)Cc1csc(NC(=O)c2cccc(Cl)c2[O-])n1 ZINC000775670414 1135458370 /nfs/dbraw/zinc/45/83/70/1135458370.db2.gz YRMJPCGWAUJAAI-UHFFFAOYSA-N -1 0 339.848 3.596 20 0 EHADRM CCN(Cc1ccc(Cl)cc1)C(=O)c1c(C)nc(C(C)C)[nH]c1=O ZINC000747355306 1135496312 /nfs/dbraw/zinc/49/63/12/1135496312.db2.gz NLCULPMEBKZPCN-UHFFFAOYSA-N -1 0 347.846 3.930 20 0 EHADRM O=S(=O)([N-]c1ccccc1-c1ccncc1)c1ccc(Cl)cn1 ZINC001196250444 1135535068 /nfs/dbraw/zinc/53/50/68/1135535068.db2.gz CGLZZNROMDLFNK-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC001196246021 1135541060 /nfs/dbraw/zinc/54/10/60/1135541060.db2.gz JSBIHMMAQLKBDK-UHFFFAOYSA-N -1 0 338.860 3.969 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(Cc3ccccc3)no2)c(F)c1 ZINC001196347032 1135549580 /nfs/dbraw/zinc/54/95/80/1135549580.db2.gz LQAHVGYYIBEKOQ-UHFFFAOYSA-N -1 0 346.383 3.514 20 0 EHADRM COc1cc(Cl)cc([N-]S(=O)(=O)c2ccc(C)cc2F)c1 ZINC001196382477 1135553187 /nfs/dbraw/zinc/55/31/87/1135553187.db2.gz BYHBSEMAOGQDJS-UHFFFAOYSA-N -1 0 329.780 3.597 20 0 EHADRM COc1ccc2c(c1)CCCN(C(=O)c1cccc(Cl)c1[O-])C2 ZINC000775712921 1135554000 /nfs/dbraw/zinc/55/40/00/1135554000.db2.gz SENFPPUGRQWJOO-UHFFFAOYSA-N -1 0 331.799 3.643 20 0 EHADRM O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cc(Cl)ncc1[O-] ZINC001196395351 1135554320 /nfs/dbraw/zinc/55/43/20/1135554320.db2.gz FNOBIEXOAZRYMR-UHFFFAOYSA-N -1 0 349.120 3.948 20 0 EHADRM Cc1cc(OC(F)F)ccc1NC(=O)c1cc(Cl)ncc1[O-] ZINC001196395849 1135554507 /nfs/dbraw/zinc/55/45/07/1135554507.db2.gz JWGKMNVFOBEPIY-UHFFFAOYSA-N -1 0 328.702 3.603 20 0 EHADRM Cc1cccnc1[N-]S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC001196413245 1135560238 /nfs/dbraw/zinc/56/02/38/1135560238.db2.gz ZRMIOEPYPNDBQX-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM Cc1c2ccc(NC(=O)c3cc(Cl)c(F)cc3[O-])cc2nn1C ZINC001196467179 1135563690 /nfs/dbraw/zinc/56/36/90/1135563690.db2.gz MVDDRFATFZBXRO-UHFFFAOYSA-N -1 0 333.750 3.632 20 0 EHADRM Cn1c(CNC(=O)c2cc(Cl)c(F)cc2[O-])cc2ccccc21 ZINC001196465992 1135564221 /nfs/dbraw/zinc/56/42/21/1135564221.db2.gz DWEDYUBOCIEIKP-UHFFFAOYSA-N -1 0 332.762 3.606 20 0 EHADRM Cc1cc(NC(=O)c2cc(Cl)c(F)cc2[O-])cc2snnc21 ZINC001196468418 1135564983 /nfs/dbraw/zinc/56/49/83/1135564983.db2.gz ZJQZFHQFALJCCZ-UHFFFAOYSA-N -1 0 337.763 3.750 20 0 EHADRM O=C(Nc1cnc(Cl)nc1Cl)c1cc(Cl)c(F)cc1[O-] ZINC001196460288 1135570262 /nfs/dbraw/zinc/57/02/62/1135570262.db2.gz VPCYLNMVGWTWAY-UHFFFAOYSA-N -1 0 336.537 3.534 20 0 EHADRM O=C(Nc1nc(Cc2ccccc2)ns1)c1cccc(Cl)c1[O-] ZINC000775725386 1135579682 /nfs/dbraw/zinc/57/96/82/1135579682.db2.gz XIUJPUFKZBPWHN-UHFFFAOYSA-N -1 0 345.811 3.740 20 0 EHADRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(Cl)nc1C ZINC000808082505 1135613052 /nfs/dbraw/zinc/61/30/52/1135613052.db2.gz WLMHBWRVFZXPKE-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM COc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(Cl)nc1C ZINC000808110119 1135618956 /nfs/dbraw/zinc/61/89/56/1135618956.db2.gz WOVNGBWEBQMUPF-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM C[C@H]1CN(C(=O)c2cccc(Cl)c2[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000775756323 1135643054 /nfs/dbraw/zinc/64/30/54/1135643054.db2.gz FWEIDIRWPUMSJW-MEDUHNTESA-N -1 0 349.789 3.787 20 0 EHADRM CC[C@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)c1ccccc1OC ZINC001197136672 1135648969 /nfs/dbraw/zinc/64/89/69/1135648969.db2.gz IVIVUCTXPVTDPJ-HNNXBMFYSA-N -1 0 344.436 3.831 20 0 EHADRM CC(=O)c1c(F)cccc1NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197115601 1135651461 /nfs/dbraw/zinc/65/14/61/1135651461.db2.gz KMCKJHXHIZQJRG-UHFFFAOYSA-N -1 0 332.356 3.535 20 0 EHADRM Cc1nc([N-]S(=O)(=O)CCCCF)sc1-c1ccccc1 ZINC000808529284 1135687331 /nfs/dbraw/zinc/68/73/31/1135687331.db2.gz CFANLPVDUJPGQV-UHFFFAOYSA-N -1 0 328.434 3.610 20 0 EHADRM C[C@@H](OC(=O)c1cc([S-])ccc1F)C(=O)C1(c2ccccc2)CC1 ZINC000808548731 1135694268 /nfs/dbraw/zinc/69/42/68/1135694268.db2.gz PSCKHHLKOCZZFQ-GFCCVEGCSA-N -1 0 344.407 3.961 20 0 EHADRM C[C@H](OC(=O)c1cc([S-])ccc1F)C(=O)C1(c2ccccc2)CC1 ZINC000808548732 1135694314 /nfs/dbraw/zinc/69/43/14/1135694314.db2.gz PSCKHHLKOCZZFQ-LBPRGKRZSA-N -1 0 344.407 3.961 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2cc(C)ccn2)c(Cl)cc1Cl ZINC001197997448 1135764880 /nfs/dbraw/zinc/76/48/80/1135764880.db2.gz GPHIKHNBNOHBMG-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2C)c1 ZINC001197997680 1135765084 /nfs/dbraw/zinc/76/50/84/1135765084.db2.gz LSZNJYYNGZQNOH-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM CC(C)(NC(=O)c1cccc(F)c1[O-])c1nc2ccccc2s1 ZINC001131533260 1135766190 /nfs/dbraw/zinc/76/61/90/1135766190.db2.gz WMBBIBAXYPXMEE-UHFFFAOYSA-N -1 0 330.384 3.806 20 0 EHADRM COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2cccc(Cl)c2[O-])cc1 ZINC000775816100 1135769731 /nfs/dbraw/zinc/76/97/31/1135769731.db2.gz XFZABEMUVHJIQH-DIFFPNOSSA-N -1 0 349.814 3.560 20 0 EHADRM Cc1cc(NC(=O)c2cccc(Cl)c2[O-])nn1-c1ccccc1 ZINC000775815872 1135770316 /nfs/dbraw/zinc/77/03/16/1135770316.db2.gz SWRXFUUXQKFAPX-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM Cc1oc2cc(O)ccc2c1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001198628973 1135840285 /nfs/dbraw/zinc/84/02/85/1135840285.db2.gz IQYFOBNCHQEZQS-UHFFFAOYSA-N -1 0 349.346 3.590 20 0 EHADRM CC[C@H](C)c1ccccc1NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198730573 1135849473 /nfs/dbraw/zinc/84/94/73/1135849473.db2.gz PIGBRMOVTLYHIR-LBPRGKRZSA-N -1 0 333.409 3.699 20 0 EHADRM O=C(Nc1ccccc1[S-])c1cc(OCC(F)(F)F)ccn1 ZINC001199026429 1135872379 /nfs/dbraw/zinc/87/23/79/1135872379.db2.gz RCYKZSNBSTXUOD-UHFFFAOYSA-N -1 0 328.315 3.564 20 0 EHADRM Cc1cc(C(=O)Nc2ccc3[n-]c(=S)sc3c2)n(C(C)C)n1 ZINC001199223011 1135888373 /nfs/dbraw/zinc/88/83/73/1135888373.db2.gz POVKDVBDVFAAMN-UHFFFAOYSA-N -1 0 332.454 3.923 20 0 EHADRM COC(=O)c1cc(Cl)sc1Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203321732 1135905697 /nfs/dbraw/zinc/90/56/97/1135905697.db2.gz JAELSGJJMWPJDA-UHFFFAOYSA-N -1 0 347.726 3.908 20 0 EHADRM CC(C)c1oncc1C(=O)Nc1ccc(F)c(Br)c1[O-] ZINC001199749670 1135925911 /nfs/dbraw/zinc/92/59/11/1135925911.db2.gz ZUBYTLPRRXPWPO-UHFFFAOYSA-N -1 0 343.152 3.658 20 0 EHADRM CON(Cc1ccccc1Cl)C(=O)N=c1nc(SC)[n-]s1 ZINC000810192096 1135936279 /nfs/dbraw/zinc/93/62/79/1135936279.db2.gz DINDXTHJBKJNNW-UHFFFAOYSA-N -1 0 344.849 3.509 20 0 EHADRM CC(C)c1ccc(NC(=O)C(=O)[N-]OC/C=C\Cl)c(C(C)C)c1 ZINC000810498554 1135966510 /nfs/dbraw/zinc/96/65/10/1135966510.db2.gz JKCKNBACGUQWGQ-YVMONPNESA-N -1 0 338.835 3.672 20 0 EHADRM CSCc1cccnc1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000810559417 1135972478 /nfs/dbraw/zinc/97/24/78/1135972478.db2.gz UZLWSTHRRLLYHZ-UHFFFAOYSA-N -1 0 331.422 3.627 20 0 EHADRM CC(C)(C)NS(=O)(=O)c1cccc(Nc2ccc([S-])cc2)c1 ZINC001201243134 1135998285 /nfs/dbraw/zinc/99/82/85/1135998285.db2.gz OYCDQFQVAAPPCX-UHFFFAOYSA-N -1 0 336.482 3.796 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N2CCc3cccc(C)c3C2)s1 ZINC000429497244 1136038706 /nfs/dbraw/zinc/03/87/06/1136038706.db2.gz QKHUNOSIOPMGFJ-UHFFFAOYSA-N -1 0 344.484 3.762 20 0 EHADRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cn(C3CCC3)cn2)c(C)c1C ZINC001201795758 1136063430 /nfs/dbraw/zinc/06/34/30/1136063430.db2.gz ZOZKNCOJRFWKLC-UHFFFAOYSA-N -1 0 347.484 3.951 20 0 EHADRM COC(=O)c1cc(Cl)cc(C)c1NC(=O)c1cccc(F)c1[O-] ZINC001133057626 1136148718 /nfs/dbraw/zinc/14/87/18/1136148718.db2.gz DFAAUPYJVWZKMC-UHFFFAOYSA-N -1 0 337.734 3.532 20 0 EHADRM CCCc1cnc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)s1 ZINC000776305067 1136148977 /nfs/dbraw/zinc/14/89/77/1136148977.db2.gz BDNVWYMPFDXZBE-UHFFFAOYSA-N -1 0 334.466 3.825 20 0 EHADRM CC(C)(C)Cc1csc([N-]S(=O)(=O)c2ccc(Cl)nc2)n1 ZINC000776308232 1136150552 /nfs/dbraw/zinc/15/05/52/1136150552.db2.gz IPUQKLVVSAMDHD-UHFFFAOYSA-N -1 0 345.877 3.581 20 0 EHADRM CC(C)(C(=O)[N-]OC/C=C/Cl)c1ccc(Br)cc1 ZINC000812397407 1136204206 /nfs/dbraw/zinc/20/42/06/1136204206.db2.gz FUCLCPMLYKVFKX-FPYGCLRLSA-N -1 0 332.625 3.527 20 0 EHADRM Cc1nn(C)c2cc(NC(=O)c3ccc4[n-]c(=S)oc4c3)ccc12 ZINC000812619021 1136228714 /nfs/dbraw/zinc/22/87/14/1136228714.db2.gz WEVRDCJIBWDQOB-UHFFFAOYSA-N -1 0 338.392 3.564 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2c(C)noc2C(F)(F)F)c1 ZINC000812705970 1136235568 /nfs/dbraw/zinc/23/55/68/1136235568.db2.gz HAKCSWSCNWWNNL-UHFFFAOYSA-N -1 0 342.273 3.552 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)[C@H](C)Cc2ccc(F)cc2)c1 ZINC000812709294 1136236547 /nfs/dbraw/zinc/23/65/47/1136236547.db2.gz UTICSGVDORTGAI-GFCCVEGCSA-N -1 0 329.371 3.941 20 0 EHADRM CCC[C@@H](C(=O)[N-]S(=O)(=O)C1CCCC1)c1ccc(Cl)cc1 ZINC000850884046 1136314904 /nfs/dbraw/zinc/31/49/04/1136314904.db2.gz PPXHARSQWDUGMJ-OAHLLOKOSA-N -1 0 343.876 3.612 20 0 EHADRM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](C)C1 ZINC000776509856 1136328714 /nfs/dbraw/zinc/32/87/14/1136328714.db2.gz GNJYKUQDIDHIJY-JSGCOSHPSA-N -1 0 337.485 3.534 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(CF)cc1 ZINC000851045613 1136331863 /nfs/dbraw/zinc/33/18/63/1136331863.db2.gz SHWWGPMLGPWOBK-KRWDZBQOSA-N -1 0 349.427 3.613 20 0 EHADRM Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1c([O-])cccc1Cl ZINC000813523182 1136341904 /nfs/dbraw/zinc/34/19/04/1136341904.db2.gz JXCRRZYSVSNVRW-UHFFFAOYSA-N -1 0 327.771 3.996 20 0 EHADRM C[C@H](COCC1CCCCC1)NC(=O)c1cccc(Cl)c1[O-] ZINC001133902340 1136360151 /nfs/dbraw/zinc/36/01/51/1136360151.db2.gz BLXXXZJIJPNPPK-GFCCVEGCSA-N -1 0 325.836 3.761 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H](C)CC1CCCC1 ZINC000814017563 1136386516 /nfs/dbraw/zinc/38/65/16/1136386516.db2.gz ZLJAWUBLBSQBOT-PBHICJAKSA-N -1 0 337.485 3.800 20 0 EHADRM CCCC(CCC)C(=O)[N-]S(=O)(=O)[C@@H](CC)c1ccccc1 ZINC000814018530 1136386623 /nfs/dbraw/zinc/38/66/23/1136386623.db2.gz NRXAYVJRGVPKQW-INIZCTEOSA-N -1 0 325.474 3.800 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cc(Cl)cs1 ZINC000814016963 1136386812 /nfs/dbraw/zinc/38/68/12/1136386812.db2.gz VFAKYKNFPVILGD-ZDUSSCGKSA-N -1 0 343.857 3.612 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H](C)c1ccccc1F ZINC000814023477 1136387430 /nfs/dbraw/zinc/38/74/30/1136387430.db2.gz XWSIQIZZHJLDBX-DYVFJYSZSA-N -1 0 349.427 3.527 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000851598007 1136395324 /nfs/dbraw/zinc/39/53/24/1136395324.db2.gz IDLJWONXKVRBKD-PZJZIFHPSA-N -1 0 331.412 3.708 20 0 EHADRM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000851595793 1136395405 /nfs/dbraw/zinc/39/54/05/1136395405.db2.gz KSKACAVTYLQXCQ-YHWKNFMLSA-N -1 0 345.370 3.514 20 0 EHADRM C/C(=C\C(=O)N(CCCC(=O)[O-])Cc1ccccc1)c1ccco1 ZINC000851602001 1136395744 /nfs/dbraw/zinc/39/57/44/1136395744.db2.gz ZTNMBHFKVIONAY-FYWRMAATSA-N -1 0 327.380 3.577 20 0 EHADRM CC(C)c1ccccc1C(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC000851604720 1136395784 /nfs/dbraw/zinc/39/57/84/1136395784.db2.gz ADBAFHWKUJODEO-AWEZNQCLSA-N -1 0 341.407 3.764 20 0 EHADRM CCN(C(=O)c1ccc(/C=C\C(=O)[O-])o1)[C@@H](C)Cc1ccsc1 ZINC000851605984 1136396325 /nfs/dbraw/zinc/39/63/25/1136396325.db2.gz PILVMDHIIWBSCT-HWPRWLFBSA-N -1 0 333.409 3.532 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC000851619450 1136396358 /nfs/dbraw/zinc/39/63/58/1136396358.db2.gz AXANFSHHLUJVGC-LBPRGKRZSA-N -1 0 347.436 3.527 20 0 EHADRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000851624433 1136396860 /nfs/dbraw/zinc/39/68/60/1136396860.db2.gz DGJJWUJUKXOHNB-BBRMVZONSA-N -1 0 344.238 3.686 20 0 EHADRM Cc1cccc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)n1 ZINC000110121438 1136399373 /nfs/dbraw/zinc/39/93/73/1136399373.db2.gz IJTICHVWUWFOSP-UHFFFAOYSA-N -1 0 348.371 3.803 20 0 EHADRM CCOCCC1(C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)CCCC1 ZINC000776631356 1136493825 /nfs/dbraw/zinc/49/38/25/1136493825.db2.gz JVAAQKWMWZZXOC-YFHOEESVSA-N -1 0 331.412 3.710 20 0 EHADRM CCC(CC)n1nccc1C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000776631586 1136494138 /nfs/dbraw/zinc/49/41/38/1136494138.db2.gz LJGRMYNJMKEWBB-YFHOEESVSA-N -1 0 327.384 3.594 20 0 EHADRM C[C@H](NC(=O)[C@H]1CCC[C@@H]1c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000852953394 1136494143 /nfs/dbraw/zinc/49/41/43/1136494143.db2.gz OCTXPHXZXHEDTR-SRVCANOKSA-N -1 0 343.467 3.822 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)/C=C/c1ccccc1Cl ZINC000776672489 1136528915 /nfs/dbraw/zinc/52/89/15/1136528915.db2.gz HGMRWQWKHGOAFJ-DVQDXYAYSA-N -1 0 343.810 3.994 20 0 EHADRM O=C(C[C@@H]1C=CCC1)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000112159058 1136608538 /nfs/dbraw/zinc/60/85/38/1136608538.db2.gz GKRNLGPWVPJCJF-OAHLLOKOSA-N -1 0 341.432 3.515 20 0 EHADRM CCN(C(=O)c1ccc2oc(=S)[n-]c2c1)[C@H]1CCOC(C)(C)C1 ZINC000854501626 1136620925 /nfs/dbraw/zinc/62/09/25/1136620925.db2.gz ORZXDLBVNKSCRA-LBPRGKRZSA-N -1 0 334.441 3.536 20 0 EHADRM CCN(C(=O)c1ccc2oc(=S)[n-]c2c1)[C@@H]1CCOC(C)(C)C1 ZINC000854501624 1136620949 /nfs/dbraw/zinc/62/09/49/1136620949.db2.gz ORZXDLBVNKSCRA-GFCCVEGCSA-N -1 0 334.441 3.536 20 0 EHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCC[C@@H](c2ccccn2)C1 ZINC000854643158 1136634140 /nfs/dbraw/zinc/63/41/40/1136634140.db2.gz VCBUOAWGBHSARB-CYBMUJFWSA-N -1 0 339.420 3.531 20 0 EHADRM CCC(F)(F)C(=O)[N-][C@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000854650285 1136634151 /nfs/dbraw/zinc/63/41/51/1136634151.db2.gz OMJTZEXKFYZOSR-ZCFIWIBFSA-N -1 0 330.684 3.976 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]C(=O)C(C)(C)C(C)(C)C)c1 ZINC000815992231 1136660884 /nfs/dbraw/zinc/66/08/84/1136660884.db2.gz ARCVORRXTXYOOO-UHFFFAOYSA-N -1 0 325.474 3.687 20 0 EHADRM CCc1cc(C)c(C(=O)[N-]S(=O)(=O)[C@H](c2ccccc2)C(C)C)o1 ZINC000816107529 1136671432 /nfs/dbraw/zinc/67/14/32/1136671432.db2.gz LHGJMLDKFCBTIO-KRWDZBQOSA-N -1 0 349.452 3.607 20 0 EHADRM CC[C@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)[C@@H](c1ccccc1)C(C)C ZINC000816109857 1136677737 /nfs/dbraw/zinc/67/77/37/1136677737.db2.gz NOIHFQFEEWOSPL-OFQRWUPVSA-N -1 0 325.474 3.512 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H]1CCC(C)(C)C1 ZINC000816112382 1136678029 /nfs/dbraw/zinc/67/80/29/1136678029.db2.gz STRHMRAFWAMOOZ-HOTGVXAUSA-N -1 0 337.485 3.656 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@@H]1C=CCCC1 ZINC000816113328 1136678114 /nfs/dbraw/zinc/67/81/14/1136678114.db2.gz PSIPOXVLPDPGAT-QAPCUYQASA-N -1 0 335.469 3.576 20 0 EHADRM O=C(NCCOC1CCCCCC1)c1ccc2oc(=S)[n-]c2c1 ZINC000816928377 1136767191 /nfs/dbraw/zinc/76/71/91/1136767191.db2.gz FEWKWEHYIWLNDG-UHFFFAOYSA-N -1 0 334.441 3.586 20 0 EHADRM O=C(N=c1[n-]nc(-c2cccc(Cl)c2)s1)N1CC[C@H]2CCC[C@H]21 ZINC000429532138 1136787892 /nfs/dbraw/zinc/78/78/92/1136787892.db2.gz TXFSXAKEQUIUCR-ZWNOBZJWSA-N -1 0 348.859 3.687 20 0 EHADRM O=C(Cc1csc(-c2ccc(Cl)cc2)n1)[N-]OCCC1CC1 ZINC000817425686 1136809380 /nfs/dbraw/zinc/80/93/80/1136809380.db2.gz JIGGBPYZMHHUAP-UHFFFAOYSA-N -1 0 336.844 3.854 20 0 EHADRM C[C@H](NC(=O)CC1(CC(=O)[O-])CCC1)c1nc2ccccc2s1 ZINC000817572596 1136821541 /nfs/dbraw/zinc/82/15/41/1136821541.db2.gz TZECTAHFWDVMOJ-NSHDSACASA-N -1 0 332.425 3.509 20 0 EHADRM CCCC[C@H](C(=O)[N-]S(=O)(=O)c1ccc(SC)cc1)C(C)C ZINC000857021644 1136833569 /nfs/dbraw/zinc/83/35/69/1136833569.db2.gz XSMLGEMGHSZDMK-HNNXBMFYSA-N -1 0 343.514 3.676 20 0 EHADRM COc1cccc(NC(=O)c2ccc(Br)cc2[O-])c1F ZINC000690018712 1136844195 /nfs/dbraw/zinc/84/41/95/1136844195.db2.gz BHDVTUHFTCOGBT-UHFFFAOYSA-N -1 0 340.148 3.555 20 0 EHADRM Cc1cnc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c([O-])c1 ZINC001136137882 1136876595 /nfs/dbraw/zinc/87/65/95/1136876595.db2.gz PRXYOXSFLCWGMI-UHFFFAOYSA-N -1 0 334.375 3.927 20 0 EHADRM COc1cccc(NC(=O)c2cccc(C(F)(F)F)c2[O-])c1F ZINC000857488781 1136876737 /nfs/dbraw/zinc/87/67/37/1136876737.db2.gz OOVZHEQTWZVOIR-UHFFFAOYSA-N -1 0 329.249 3.811 20 0 EHADRM Cc1cc(C=O)c([O-])c(C(=O)Nc2ccc(C)c(Br)c2)c1 ZINC001136147939 1136879951 /nfs/dbraw/zinc/87/99/51/1136879951.db2.gz ZJVWLBNNFRJIJM-UHFFFAOYSA-N -1 0 348.196 3.836 20 0 EHADRM CCN(C(=O)c1c([O-])cnc2c(F)cccc21)c1cccc(OC)c1 ZINC001136170339 1136893067 /nfs/dbraw/zinc/89/30/67/1136893067.db2.gz WMWRNIDRVAXUPM-UHFFFAOYSA-N -1 0 340.354 3.755 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N[C@H](C)c2ccc(C)cc2)n1 ZINC001136178516 1136899676 /nfs/dbraw/zinc/89/96/76/1136899676.db2.gz YBYUEGFMIVGEJL-OAHLLOKOSA-N -1 0 349.434 3.940 20 0 EHADRM Cc1ccc(C2CC2)c(C(=O)[N-]S(=O)(=O)[C@@H](C)c2ccccc2)c1 ZINC000820084622 1136975422 /nfs/dbraw/zinc/97/54/22/1136975422.db2.gz MBNHITZZJFSBSG-AWEZNQCLSA-N -1 0 343.448 3.693 20 0 EHADRM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CCOC[C@@H](C2CCC2)C1 ZINC000820336038 1136987836 /nfs/dbraw/zinc/98/78/36/1136987836.db2.gz AWOKHVBHQQJTAP-NSHDSACASA-N -1 0 344.238 3.588 20 0 EHADRM O=S(=O)([N-]c1ccccc1)c1cccnc1Oc1ccc(F)cc1 ZINC000821115847 1137017591 /nfs/dbraw/zinc/01/75/91/1137017591.db2.gz DIOWLWKQXSRXFO-UHFFFAOYSA-N -1 0 344.367 3.814 20 0 EHADRM Cc1nn2c(nc(C)c2CNc2ccc([C@@H](C)CC(=O)[O-])cc2)s1 ZINC000859810024 1137031643 /nfs/dbraw/zinc/03/16/43/1137031643.db2.gz CWRRSJSIJSPLPE-JTQLQIEISA-N -1 0 344.440 3.598 20 0 EHADRM CN(C)c1ccc(Cl)cc1NC(=O)c1ncc2ccccc2c1[O-] ZINC001136510960 1137041608 /nfs/dbraw/zinc/04/16/08/1137041608.db2.gz QGWYOHYDELGMAG-UHFFFAOYSA-N -1 0 341.798 3.912 20 0 EHADRM CCCCCC[C@@](C)(CC)C(=O)[N-]S(=O)(=O)C1(C(F)F)CC1 ZINC000861163162 1137095302 /nfs/dbraw/zinc/09/53/02/1137095302.db2.gz JXBCWKQPCWWMSG-CQSZACIVSA-N -1 0 339.448 3.617 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)c1c[n-]ncc1=O)[C@H]1CCC[C@@H](C)C1 ZINC001136731807 1137104067 /nfs/dbraw/zinc/10/40/67/1137104067.db2.gz HRQIQPUBASKSBW-FRIZHTMISA-N -1 0 339.439 3.788 20 0 EHADRM O=Cc1ccc(-c2ccc(C(=O)N3CC[C@@H](C4CCC4)C3)c([O-])c2)o1 ZINC000823669569 1137108958 /nfs/dbraw/zinc/10/89/58/1137108958.db2.gz KGVVYFZFPDGGOP-OAHLLOKOSA-N -1 0 339.391 3.727 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])[C@@H](C)[C@H]1C ZINC000823689020 1137109462 /nfs/dbraw/zinc/10/94/62/1137109462.db2.gz AUEALHLUWKRLLE-AGIUHOORSA-N -1 0 327.380 3.581 20 0 EHADRM Cc1ncc(S(=O)(=O)[N-]c2ccc3c(ccn3CC(C)C)c2)s1 ZINC000339031845 1137121453 /nfs/dbraw/zinc/12/14/53/1137121453.db2.gz QCCUGWSCKZASSC-UHFFFAOYSA-N -1 0 349.481 3.863 20 0 EHADRM O=C(Nc1cc(Cl)cc(Br)c1[O-])C1(C(F)F)CC1 ZINC000843843001 1137184051 /nfs/dbraw/zinc/18/40/51/1137184051.db2.gz PAPMXVBHHAMHRC-UHFFFAOYSA-N -1 0 340.551 3.792 20 0 EHADRM C[C@@H]1CN(C(=O)c2ccc([O-])c(Cl)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000173524471 1137197744 /nfs/dbraw/zinc/19/77/44/1137197744.db2.gz LXITYZROAPBYCZ-DIFFPNOSSA-N -1 0 349.789 3.787 20 0 EHADRM CC(C)[C@@H]1N(C(=O)c2ccc3[n-]c(=S)oc3c2)CC12CC=CC2 ZINC000844099419 1137198267 /nfs/dbraw/zinc/19/82/67/1137198267.db2.gz OREGRBBKCMKXLB-HNNXBMFYSA-N -1 0 328.437 3.933 20 0 EHADRM O=C([O-])C1(CC(=O)NCCC[C@H]2CC2(Cl)Cl)CCCCC1 ZINC000844267846 1137207420 /nfs/dbraw/zinc/20/74/20/1137207420.db2.gz KZKLEFPNPNPWFQ-NSHDSACASA-N -1 0 336.259 3.502 20 0 EHADRM C[C@@]1(CCNC(=O)CC2(CC(=O)[O-])CCCCC2)C[C@]1(F)Cl ZINC000844269966 1137207549 /nfs/dbraw/zinc/20/75/49/1137207549.db2.gz YDMISOKESIQWAI-GDBMZVCRSA-N -1 0 333.831 3.623 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000864099214 1137214965 /nfs/dbraw/zinc/21/49/65/1137214965.db2.gz DVRVADZHPCOPOV-HXUWFJFHSA-N -1 0 331.456 3.605 20 0 EHADRM COc1ccc([C@H]2CCCN2C(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000864101271 1137215063 /nfs/dbraw/zinc/21/50/63/1137215063.db2.gz QRDKNTGABAKQCO-GOSISDBHSA-N -1 0 339.391 3.679 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2([C@@H]3CCCCO3)CCC2)cc1Cl ZINC000864100544 1137215092 /nfs/dbraw/zinc/21/50/92/1137215092.db2.gz QWORPYQMDZLPFA-AWEZNQCLSA-N -1 0 337.803 3.716 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)/C=C/c2cc(C(=O)[O-])co2)c1 ZINC000864103382 1137215128 /nfs/dbraw/zinc/21/51/28/1137215128.db2.gz JIJQKUCKSQQJRI-OZSKJFCKSA-N -1 0 325.364 3.663 20 0 EHADRM Cc1ccc(C(=O)N2CCC[C@H]2Cc2cccc(F)c2)cc1C(=O)[O-] ZINC000864105345 1137215347 /nfs/dbraw/zinc/21/53/47/1137215347.db2.gz WQOHBVSFHHOXPI-KRWDZBQOSA-N -1 0 341.382 3.680 20 0 EHADRM O=C([O-])c1coc(/C=C/C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000864109452 1137215528 /nfs/dbraw/zinc/21/55/28/1137215528.db2.gz SXQAFVKJGGBITA-GFOMBABLSA-N -1 0 343.354 3.788 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1C(=O)NC(C)(C)CC(=O)[O-] ZINC000864117092 1137216034 /nfs/dbraw/zinc/21/60/34/1137216034.db2.gz GWRWLOQNCAADPU-UHFFFAOYSA-N -1 0 327.380 3.770 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)N(Cc2ccco2)C2CCCC2)o1 ZINC000864124513 1137216331 /nfs/dbraw/zinc/21/63/31/1137216331.db2.gz AZGKHFQALBCUHW-NTMALXAHSA-N -1 0 329.352 3.555 20 0 EHADRM C[C@H](CN(C(=O)/C=C\c1ccc(F)c2ccccc12)C1CC1)C(=O)[O-] ZINC000864131240 1137216426 /nfs/dbraw/zinc/21/64/26/1137216426.db2.gz UPXHNQDGOUSINA-LWMSPQMPSA-N -1 0 341.382 3.704 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)CCc2cccc3ccccc32)CC1 ZINC000864130301 1137216463 /nfs/dbraw/zinc/21/64/63/1137216463.db2.gz NDUBGKJWLGXFOM-UHFFFAOYSA-N -1 0 339.435 3.876 20 0 EHADRM C[C@@H](CCc1ccc(F)cc1)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000864132422 1137216629 /nfs/dbraw/zinc/21/66/29/1137216629.db2.gz SMQZPORJXZLNEG-YOEHRIQHSA-N -1 0 335.419 3.640 20 0 EHADRM CSCCCCCCC(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000864133252 1137216700 /nfs/dbraw/zinc/21/67/00/1137216700.db2.gz LMPJKJSUVNPEFL-NSHDSACASA-N -1 0 344.502 3.640 20 0 EHADRM CC(C)(CCc1ccccc1)NC(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000864143908 1137217108 /nfs/dbraw/zinc/21/71/08/1137217108.db2.gz SHMCOKBZAISDRU-HJWRWDBZSA-N -1 0 327.380 3.519 20 0 EHADRM CCCc1ccc(C(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)s1 ZINC000864149561 1137217186 /nfs/dbraw/zinc/21/71/86/1137217186.db2.gz NCDNEKKHCTYWJF-IBGZPJMESA-N -1 0 343.448 3.569 20 0 EHADRM Cc1cc2c(CC(=O)N[C@@H]3CCC[C@]3(C)C(=O)[O-])csc2s1 ZINC000864156521 1137217340 /nfs/dbraw/zinc/21/73/40/1137217340.db2.gz YFHJAVXHSNIGQF-WBMJQRKESA-N -1 0 337.466 3.573 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)N[C@@H](C2CCCCC2)C(F)(F)F)o1 ZINC000864156734 1137217433 /nfs/dbraw/zinc/21/74/33/1137217433.db2.gz BHNPOZYDIFRMAQ-KGXGESDWSA-N -1 0 345.317 3.618 20 0 EHADRM O=C([O-])[C@H](CNC(=O)CCc1ccc(F)c2ccccc12)CC1CC1 ZINC000864150464 1137217444 /nfs/dbraw/zinc/21/74/44/1137217444.db2.gz FUSJGOYNWFSNEI-HNNXBMFYSA-N -1 0 343.398 3.529 20 0 EHADRM Cc1ccc(N(CC2CC2)C(=O)c2cc(C(=O)[O-])cnc2C)cc1F ZINC000864178861 1137218207 /nfs/dbraw/zinc/21/82/07/1137218207.db2.gz LRTJHYIBZGMRBK-UHFFFAOYSA-N -1 0 342.370 3.593 20 0 EHADRM CCc1cc2c(CC(=O)N3C4CCC3(C(=O)[O-])CC4)csc2s1 ZINC000864188002 1137218363 /nfs/dbraw/zinc/21/83/63/1137218363.db2.gz DXVOKCKBYMZZRM-UHFFFAOYSA-N -1 0 349.477 3.676 20 0 EHADRM CC(C)(C)c1ccc(CCCC(=O)N[C@@H]2C[C@H]3C[C@@]3(C(=O)[O-])C2)cc1 ZINC000864210255 1137218898 /nfs/dbraw/zinc/21/88/98/1137218898.db2.gz LJFKATBDOQMRIJ-CSODHUTKSA-N -1 0 343.467 3.676 20 0 EHADRM O=C([O-])c1coc(C(=O)N2CCC(Cc3ccc(Cl)cc3)CC2)c1 ZINC000864216162 1137219194 /nfs/dbraw/zinc/21/91/94/1137219194.db2.gz BSYOKNBRRYHBSC-UHFFFAOYSA-N -1 0 347.798 3.726 20 0 EHADRM C[C@@H]1CC[C@H](CCC(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)O1 ZINC000864225966 1137219425 /nfs/dbraw/zinc/21/94/25/1137219425.db2.gz UWNHMJDLGJXLQT-IUODEOHRSA-N -1 0 327.380 3.824 20 0 EHADRM CC(C)(C)c1csc(CN[C@H](CCc2ccccc2)C(=O)[O-])n1 ZINC000864505673 1137230633 /nfs/dbraw/zinc/23/06/33/1137230633.db2.gz CNWDNFCCKYIGKR-CQSZACIVSA-N -1 0 332.469 3.616 20 0 EHADRM CC(C)=CC[C@H](NCc1csc(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000864527655 1137232570 /nfs/dbraw/zinc/23/25/70/1137232570.db2.gz FHQYRYPCTDAHHX-HNNXBMFYSA-N -1 0 334.416 3.848 20 0 EHADRM CCCCCC[C@](C)(NC(=O)N[C@@H](C)c1cnc(C)s1)C(=O)[O-] ZINC000864542552 1137233954 /nfs/dbraw/zinc/23/39/54/1137233954.db2.gz OMFKMDRUWNEMKE-ZBEGNZNMSA-N -1 0 341.477 3.625 20 0 EHADRM C/C(=C/c1ccc(-c2ccc(NC(=O)C(C)(C)C)nc2)o1)C(=O)[O-] ZINC000864609564 1137236369 /nfs/dbraw/zinc/23/63/69/1137236369.db2.gz YYJLPZUNKOKAOZ-LUAWRHEFSA-N -1 0 328.368 3.814 20 0 EHADRM Cc1nc(C=Cc2cccc(CC3CCC3)c2)[nH]c(=O)c1CC(=O)[O-] ZINC000865224002 1137269093 /nfs/dbraw/zinc/26/90/93/1137269093.db2.gz NEBJEKVXTISUDL-HJWRWDBZSA-N -1 0 338.407 3.631 20 0 EHADRM Cc1sc(/C=C/c2ccc(C(=O)N3CCCC3)cc2)nc1C(=O)[O-] ZINC000865223917 1137269177 /nfs/dbraw/zinc/26/91/77/1137269177.db2.gz MVOYJSCYKZHBKM-RMKNXTFCSA-N -1 0 342.420 3.556 20 0 EHADRM CC[C@@H](C)CO[N-]C(=O)CSCc1cc(-c2cccs2)on1 ZINC000794864626 1137308753 /nfs/dbraw/zinc/30/87/53/1137308753.db2.gz MZXMAKISVBBHNL-LLVKDONJSA-N -1 0 340.470 3.730 20 0 EHADRM CC(C)n1ccc([N-]S(=O)(=O)/C=C\c2cccc(Cl)c2)n1 ZINC000794880836 1137319878 /nfs/dbraw/zinc/31/98/78/1137319878.db2.gz AXNWYZKPURXAHD-CLFYSBASSA-N -1 0 325.821 3.530 20 0 EHADRM O=C(Nc1ccc2[n-]c(=S)sc2c1)C1(Br)CCC1 ZINC001144747184 1137342236 /nfs/dbraw/zinc/34/22/36/1137342236.db2.gz QUQDHUREFPFEDY-UHFFFAOYSA-N -1 0 343.271 3.841 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC[C@H](C(=O)[O-])C3)cc2)nc1 ZINC000846708950 1137363274 /nfs/dbraw/zinc/36/32/74/1137363274.db2.gz NXMZXNZZODYYFS-KGLIPLIRSA-N -1 0 340.379 3.622 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(N2CCC(C)CC2)cc1 ZINC000846707100 1137363286 /nfs/dbraw/zinc/36/32/86/1137363286.db2.gz QJIAAGUGSRZHCH-UHFFFAOYSA-N -1 0 332.444 3.752 20 0 EHADRM CC(C)C[C@H]1CCN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])C1 ZINC001148547069 1137427491 /nfs/dbraw/zinc/42/74/91/1137427491.db2.gz FZENKFCOXGGUCF-CQSZACIVSA-N -1 0 341.407 3.973 20 0 EHADRM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCC[C@@H](c2cccnc2)C1 ZINC000869044487 1137434556 /nfs/dbraw/zinc/43/45/56/1137434556.db2.gz OLBYYVIYHZUNQJ-CQSZACIVSA-N -1 0 339.420 3.531 20 0 EHADRM CC1(C)C[C@H](C(=O)[N-]OCCCC(F)(F)F)c2ccccc2O1 ZINC000871217210 1137528030 /nfs/dbraw/zinc/52/80/30/1137528030.db2.gz NYQPNKLAQCBWRV-LBPRGKRZSA-N -1 0 331.334 3.722 20 0 EHADRM Cc1ccc(NCc2ccc(O[C@H]3CCOC3)cc2)c(C)c1C(=O)[O-] ZINC000871884934 1137562497 /nfs/dbraw/zinc/56/24/97/1137562497.db2.gz NDZQYWVVRVKIAH-KRWDZBQOSA-N -1 0 341.407 3.781 20 0 EHADRM O=S(=O)([N-]c1cccc(C2CC2)n1)c1ccc(F)c(C(F)F)c1 ZINC000872004670 1137564353 /nfs/dbraw/zinc/56/43/53/1137564353.db2.gz MDLMMQWBYTVUFN-UHFFFAOYSA-N -1 0 342.342 3.837 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cc(F)ccc2C)noc1C(C)(C)C ZINC000872007076 1137564355 /nfs/dbraw/zinc/56/43/55/1137564355.db2.gz JNLOMVMJHQQPCV-UHFFFAOYSA-N -1 0 326.393 3.529 20 0 EHADRM CCCOc1ccc(S(=O)(=O)[N-]c2cncc(C(F)F)c2)cc1 ZINC000872009910 1137564394 /nfs/dbraw/zinc/56/43/94/1137564394.db2.gz BBOJXNTVDCOSQE-UHFFFAOYSA-N -1 0 342.367 3.609 20 0 EHADRM Cc1c([N-]S(=O)(=O)Cc2c(F)cccc2F)noc1C(C)(C)C ZINC000872006976 1137564396 /nfs/dbraw/zinc/56/43/96/1137564396.db2.gz DPYRBFZOOKCZHU-UHFFFAOYSA-N -1 0 344.383 3.501 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cnccc2C(F)(F)F)s1 ZINC000872010828 1137564507 /nfs/dbraw/zinc/56/45/07/1137564507.db2.gz KLXODKGQYIFMAW-UHFFFAOYSA-N -1 0 336.360 3.525 20 0 EHADRM C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1c([O-])cccc1F ZINC000124015899 1137577092 /nfs/dbraw/zinc/57/70/92/1137577092.db2.gz QSFFETCUTGRVQV-FHSNZYRGSA-N -1 0 329.371 3.522 20 0 EHADRM CC(C)[C@H](NC(=O)C(C)(C)SCC(=O)[O-])c1ccc(Cl)cc1 ZINC000872832994 1137585260 /nfs/dbraw/zinc/58/52/60/1137585260.db2.gz MWCQZPDLZCYLOD-AWEZNQCLSA-N -1 0 343.876 3.750 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H]1C(=O)Nc1cccc(COc2ccccc2)c1 ZINC000872837309 1137585278 /nfs/dbraw/zinc/58/52/78/1137585278.db2.gz CZMOPTPZEVCSDD-ROUUACIJSA-N -1 0 339.391 3.705 20 0 EHADRM C[C@@H](NC(=O)C(C)(C)CCC(=O)[O-])c1ccccc1C(F)(F)F ZINC000872839138 1137585383 /nfs/dbraw/zinc/58/53/83/1137585383.db2.gz NOUUEIMOLSSAAL-SNVBAGLBSA-N -1 0 331.334 3.774 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2ccc(-c3nccs3)cc2)CCC1 ZINC000872907357 1137586409 /nfs/dbraw/zinc/58/64/09/1137586409.db2.gz ZBHGPUTYHKXYSR-UHFFFAOYSA-N -1 0 330.409 3.784 20 0 EHADRM CCC[C@@H](CCc1ccccc1)NC(=O)C(C)(C)SCC(=O)[O-] ZINC000872940724 1137586668 /nfs/dbraw/zinc/58/66/68/1137586668.db2.gz YMPLHOUIOZPHQX-HNNXBMFYSA-N -1 0 337.485 3.501 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1F)C(=O)[O-] ZINC000873001348 1137587725 /nfs/dbraw/zinc/58/77/25/1137587725.db2.gz LIZVSMVIQUETSI-NTSWFWBYSA-N -1 0 340.203 3.666 20 0 EHADRM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000873000929 1137587765 /nfs/dbraw/zinc/58/77/65/1137587765.db2.gz AZLAMDZVUTZMTP-RKDXNWHRSA-N -1 0 332.158 3.738 20 0 EHADRM CC[C@H]1CCCN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])C1 ZINC000873990381 1137608989 /nfs/dbraw/zinc/60/89/89/1137608989.db2.gz YSWQDVNTYOTQQU-ZDUSSCGKSA-N -1 0 327.380 3.727 20 0 EHADRM C[C@@]1(C(F)(F)F)CCN(C(=O)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000874473361 1137614756 /nfs/dbraw/zinc/61/47/56/1137614756.db2.gz CZFZEWODVZQSSZ-GFCCVEGCSA-N -1 0 341.251 3.826 20 0 EHADRM CC(=O)c1cc(F)c([N-]C(=O)c2coc(C(C)(C)C)n2)c(F)c1F ZINC000875519505 1137634534 /nfs/dbraw/zinc/63/45/34/1137634534.db2.gz GJQHDTRFXMXFKD-UHFFFAOYSA-N -1 0 340.301 3.844 20 0 EHADRM CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ncc(Br)cc1[O-] ZINC001137109854 1137659556 /nfs/dbraw/zinc/65/95/56/1137659556.db2.gz HVSONIPVPVFRSR-ZYHUDNBSSA-N -1 0 341.249 3.591 20 0 EHADRM Cc1noc(C2CC2)c1[N-]S(=O)(=O)/C=C/c1ccccc1Cl ZINC000126955189 1137705693 /nfs/dbraw/zinc/70/56/93/1137705693.db2.gz YSKDZVGFURZNRE-CMDGGOBGSA-N -1 0 338.816 3.926 20 0 EHADRM Cc1cccc(NC(=O)COC(=O)c2cc3ccsc3[nH]2)c1C ZINC000023345565 1137748770 /nfs/dbraw/zinc/74/87/70/1137748770.db2.gz LDRNTERUODUEPE-UHFFFAOYSA-N -1 0 328.393 3.642 20 0 EHADRM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000130379861 1137836638 /nfs/dbraw/zinc/83/66/38/1137836638.db2.gz DWJZAEAIDWSMFK-UHFFFAOYSA-N -1 0 337.828 3.960 20 0 EHADRM CC1(C)CCC(C(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)CC1 ZINC000132127740 1137863232 /nfs/dbraw/zinc/86/32/32/1137863232.db2.gz SOWHSFRTQKGMRA-UHFFFAOYSA-N -1 0 347.480 3.636 20 0 EHADRM CCCc1nc(=NC(=O)N2C[C@H](C)C[C@@H]2c2ccccc2F)s[n-]1 ZINC000331466601 1137909520 /nfs/dbraw/zinc/90/95/20/1137909520.db2.gz CBBFVZBCAYPHCQ-BXUZGUMPSA-N -1 0 348.447 3.667 20 0 EHADRM CCCc1nc(=NC(=O)N2CC[C@@H](C)C[C@@H]2c2ccc(C)o2)s[n-]1 ZINC000331501176 1137910562 /nfs/dbraw/zinc/91/05/62/1137910562.db2.gz BHLBNSWTGZSWNL-DGCLKSJQSA-N -1 0 348.472 3.819 20 0 EHADRM CCO[C@@H]1CCCC[C@H]1NC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001299340202 1137943856 /nfs/dbraw/zinc/94/38/56/1137943856.db2.gz JQLFVZGTTLTZCH-CHWSQXEVSA-N -1 0 332.227 3.777 20 0 EHADRM CCC1CCC(N(C)C(=O)c2nn(-c3ccccc3)cc2[O-])CC1 ZINC000332677653 1137951088 /nfs/dbraw/zinc/95/10/88/1137951088.db2.gz QWBAWDPZURMQGI-UHFFFAOYSA-N -1 0 327.428 3.619 20 0 EHADRM CC[C@H](C)[C@@H]1CCCCN1C(=O)N=c1ncn(C2CCCCC2)[n-]1 ZINC000332703723 1137951525 /nfs/dbraw/zinc/95/15/25/1137951525.db2.gz TTZMVNZALZEFGR-HOCLYGCPSA-N -1 0 333.480 3.638 20 0 EHADRM O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1s[n-]c(=O)c1Cl ZINC001137209166 1137958747 /nfs/dbraw/zinc/95/87/47/1137958747.db2.gz VWAMRENCHORFHP-RNFRBKRXSA-N -1 0 342.770 3.601 20 0 EHADRM CC[C@@H](c1ccncc1)N(CC)C(=O)c1s[n-]c(=O)c1Cl ZINC000282953980 1138062249 /nfs/dbraw/zinc/06/22/49/1138062249.db2.gz FEORDGBBKKGZIF-JTQLQIEISA-N -1 0 325.821 3.511 20 0 EHADRM C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccc([O-])c(Cl)c1 ZINC000067177887 1138080179 /nfs/dbraw/zinc/08/01/79/1138080179.db2.gz DNAYCRCJPWBRKM-SJKOYZFVSA-N -1 0 331.799 3.648 20 0 EHADRM COC[C@@H]1CCCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C1 ZINC000081959403 1138171557 /nfs/dbraw/zinc/17/15/57/1138171557.db2.gz QEEBKZIREPDOKE-GFCCVEGCSA-N -1 0 333.815 3.697 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000084403778 1138180367 /nfs/dbraw/zinc/18/03/67/1138180367.db2.gz BEZVERVRRNPSMB-IOASZLSFSA-N -1 0 343.402 3.510 20 0 EHADRM Cc1c(COc2ccccc2)cccc1NC(=O)c1ncccc1[O-] ZINC001137242855 1138254931 /nfs/dbraw/zinc/25/49/31/1138254931.db2.gz OPEMFPNOMUMGRZ-UHFFFAOYSA-N -1 0 334.375 3.927 20 0 EHADRM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1F ZINC000887310328 1138261099 /nfs/dbraw/zinc/26/10/99/1138261099.db2.gz DBPJWOHFAHKVAN-QTXBENEDSA-N -1 0 344.169 3.594 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)NC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000887315489 1138262413 /nfs/dbraw/zinc/26/24/13/1138262413.db2.gz VLBJGHPCMJYBHE-JTQLQIEISA-N -1 0 331.334 3.558 20 0 EHADRM O=C(N=c1[n-]nc(-c2ccsc2)s1)N1CC[C@H](C2CCCC2)C1 ZINC000333531743 1138300845 /nfs/dbraw/zinc/30/08/45/1138300845.db2.gz MIGHEZJOBCVOLF-LBPRGKRZSA-N -1 0 348.497 3.733 20 0 EHADRM O=c1[n-]c([C@H]2CCCCN2CCc2cccc(Cl)c2Cl)n[nH]1 ZINC000333681366 1138319167 /nfs/dbraw/zinc/31/91/67/1138319167.db2.gz LHXLTMHTWMTSLE-GFCCVEGCSA-N -1 0 341.242 3.587 20 0 EHADRM O=c1nc(CN2CC[C@H](c3ccccc3F)C2)[n-]c2ccsc21 ZINC000264463784 1138524609 /nfs/dbraw/zinc/52/46/09/1138524609.db2.gz PKYWCVJCVBPFGG-NSHDSACASA-N -1 0 329.400 3.526 20 0 EHADRM CO[C@H](C)c1nc(=N[C@H](C)[C@@H](OC)c2ccccc2Cl)s[n-]1 ZINC000337876162 1138688695 /nfs/dbraw/zinc/68/86/95/1138688695.db2.gz QPKJKKJMTIMULP-GIPNMCIBSA-N -1 0 341.864 3.509 20 0 EHADRM CO[C@H](C)c1nc(=N[C@@H](c2ccc(C)cc2)c2ccccn2)s[n-]1 ZINC000337944811 1138703700 /nfs/dbraw/zinc/70/37/00/1138703700.db2.gz RMLSKMOCFZDGAU-CJNGLKHVSA-N -1 0 340.452 3.572 20 0 EHADRM CO[C@H](C)c1nc(=NCc2ccc(C(F)(F)F)cc2C)s[n-]1 ZINC000337948067 1138705023 /nfs/dbraw/zinc/70/50/23/1138705023.db2.gz TXJCUJXUFHRDMP-SECBINFHSA-N -1 0 331.363 3.607 20 0 EHADRM COCc1ccccc1[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000348481262 1138884625 /nfs/dbraw/zinc/88/46/25/1138884625.db2.gz WDGVVNNFHDRTSM-UHFFFAOYSA-N -1 0 349.383 3.828 20 0 EHADRM O=C(c1cc(Cl)cc(Cl)c1[O-])N1CC[C@@H](C(F)(F)F)C1 ZINC000888030648 1139050228 /nfs/dbraw/zinc/05/02/28/1139050228.db2.gz KDBWEYVZOFVFRJ-ZCFIWIBFSA-N -1 0 328.117 3.723 20 0 EHADRM C[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1nc(C2CCCCC2)no1 ZINC000175855420 1139523615 /nfs/dbraw/zinc/52/36/15/1139523615.db2.gz NVMRSFFNKMURPV-JTQLQIEISA-N -1 0 349.818 3.967 20 0 EHADRM C[C@H]1CCN(C(=O)CSc2n[n-]c(=S)s2)c2ccccc21 ZINC000176049689 1139536596 /nfs/dbraw/zinc/53/65/96/1139536596.db2.gz ZACPQNGALBUCAB-VIFPVBQESA-N -1 0 337.495 3.833 20 0 EHADRM CCC(CC)c1nnc([N-]S(=O)(=O)Cc2ccc(F)cc2)s1 ZINC000176594675 1139567180 /nfs/dbraw/zinc/56/71/80/1139567180.db2.gz ONUWIPCLOCJFDK-UHFFFAOYSA-N -1 0 343.449 3.523 20 0 EHADRM CCC(CC)[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C)c1Cl ZINC000777352268 1139799705 /nfs/dbraw/zinc/79/97/05/1139799705.db2.gz YRVSNFHJTAPTLO-NSHDSACASA-N -1 0 331.865 3.526 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1C ZINC000180020157 1139802328 /nfs/dbraw/zinc/80/23/28/1139802328.db2.gz JGGZUJWABGXMIZ-XYJFISCASA-N -1 0 329.440 3.858 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCC[C@@H]2C)c1Cl ZINC000777356861 1139821320 /nfs/dbraw/zinc/82/13/20/1139821320.db2.gz YZVGLIUQKWOIRI-AAEUAGOBSA-N -1 0 343.876 3.670 20 0 EHADRM CCCN1Cc2cccc(NC(=O)c3cc(F)c([O-])c(F)c3)c2C1 ZINC000186774280 1140221110 /nfs/dbraw/zinc/22/11/10/1140221110.db2.gz NRXPOJRXWWTBJE-UHFFFAOYSA-N -1 0 332.350 3.648 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c(Cl)c1 ZINC000186908933 1140228047 /nfs/dbraw/zinc/22/80/47/1140228047.db2.gz IDSVGAFGXHVLNS-CJTUPEFNSA-N -1 0 349.814 3.589 20 0 EHADRM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC(c2ccncc2)CC1 ZINC000192286942 1140519675 /nfs/dbraw/zinc/51/96/75/1140519675.db2.gz CDHVGHRQBOFOKU-UHFFFAOYSA-N -1 0 339.420 3.531 20 0 EHADRM Cc1nc([C@H]2CCCN2C(=O)c2cc(F)c([O-])c(Cl)c2)cs1 ZINC000192568298 1140538792 /nfs/dbraw/zinc/53/87/92/1140538792.db2.gz RUUHBGSNFRDPKL-CYBMUJFWSA-N -1 0 340.807 3.927 20 0 EHADRM CCN(C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])C1CCCC1 ZINC000193832146 1140587981 /nfs/dbraw/zinc/58/79/81/1140587981.db2.gz NGCLTXKLEUJFGM-UHFFFAOYSA-N -1 0 333.819 3.636 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cccc(Cl)c2)cnn1C1CCCC1 ZINC000194225347 1140602543 /nfs/dbraw/zinc/60/25/43/1140602543.db2.gz HWSABBLJCHDZBI-UHFFFAOYSA-N -1 0 339.848 3.761 20 0 EHADRM C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000194561227 1140614556 /nfs/dbraw/zinc/61/45/56/1140614556.db2.gz CGFJJVVNEIUDRV-BDJLRTHQSA-N -1 0 349.789 3.787 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2cccc(CC(F)(F)F)c2)CCCC1 ZINC000266472828 1140691433 /nfs/dbraw/zinc/69/14/33/1140691433.db2.gz RVSWHBPZDCWQGA-UHFFFAOYSA-N -1 0 329.318 3.765 20 0 EHADRM CCN(C(=O)CSc1n[n-]c(=S)s1)c1cccc(Cl)c1 ZINC000266978360 1140745885 /nfs/dbraw/zinc/74/58/85/1140745885.db2.gz DWNOSKSJVVUWSO-UHFFFAOYSA-N -1 0 345.902 3.625 20 0 EHADRM CC(C)[C@H]1C[C@@H](NC(=O)c2c([O-])cc(Cl)cc2Cl)CCO1 ZINC000271476392 1141376860 /nfs/dbraw/zinc/37/68/60/1141376860.db2.gz ZOLYXMJZYLGCJZ-GXFFZTMASA-N -1 0 332.227 3.632 20 0 EHADRM Cc1nc(C=Cc2csc(Cl)c2Cl)[nH]c(=O)c1CC(=O)[O-] ZINC000349107376 1141639940 /nfs/dbraw/zinc/63/99/40/1141639940.db2.gz JQCAPFWUKGRQMV-NSCUHMNNSA-N -1 0 345.207 3.656 20 0 EHADRM CCOc1cccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000055652096 214336567 /nfs/dbraw/zinc/33/65/67/214336567.db2.gz GHUUAYORDOTTDV-UHFFFAOYSA-N -1 0 329.780 3.679 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1ccccc1Br ZINC000022146077 212279344 /nfs/dbraw/zinc/27/93/44/212279344.db2.gz FIQRLSQKSKIEKW-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM CC(C)(C)OC(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC000393945783 568416867 /nfs/dbraw/zinc/41/68/67/568416867.db2.gz QKHZWRZMWMYDES-UHFFFAOYSA-N -1 0 334.397 3.533 20 0 EHADRM Cc1ccc(Cl)cc1Oc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000822239910 599083599 /nfs/dbraw/zinc/08/35/99/599083599.db2.gz KEQKSKXRFRDMQC-UHFFFAOYSA-N -1 0 338.758 3.564 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)Nc2ccccc2CC(=O)[O-])ccc1F ZINC000818801468 596934190 /nfs/dbraw/zinc/93/41/90/596934190.db2.gz YVXYGVWHUNJROR-GFCCVEGCSA-N -1 0 330.359 3.644 20 0 EHADRM C[C@H](NC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1Cl ZINC000261605658 596938204 /nfs/dbraw/zinc/93/82/04/596938204.db2.gz CTZBBSRZDJBBII-VIFPVBQESA-N -1 0 345.226 3.561 20 0 EHADRM C[C@H](c1ccco1)N(C(=O)Nc1ccccc1CC(=O)[O-])C1CC1 ZINC000818070899 596959602 /nfs/dbraw/zinc/95/96/02/596959602.db2.gz CFHNYBCGOPHSNZ-GFCCVEGCSA-N -1 0 328.368 3.664 20 0 EHADRM Cc1cccc(Oc2ccccc2NC(=O)CSCC(=O)[O-])c1 ZINC000322096089 597082253 /nfs/dbraw/zinc/08/22/53/597082253.db2.gz GCTVCRVRTUNCTR-UHFFFAOYSA-N -1 0 331.393 3.544 20 0 EHADRM Cc1cccc(C)c1Oc1ccccc1NC(=O)CSCC(=O)[O-] ZINC000567010556 597089264 /nfs/dbraw/zinc/08/92/64/597089264.db2.gz PTNXJECFEJPLEU-UHFFFAOYSA-N -1 0 345.420 3.852 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000054303603 597115741 /nfs/dbraw/zinc/11/57/41/597115741.db2.gz SEQKSUGNTMWVJA-SECBINFHSA-N -1 0 331.199 3.712 20 0 EHADRM CCCOc1ccc(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)c(C)c1 ZINC000582349906 597118813 /nfs/dbraw/zinc/11/88/13/597118813.db2.gz UGEIFEJYDAWXTR-AWEZNQCLSA-N -1 0 334.416 3.502 20 0 EHADRM O=C([O-])C[C@@H]1CCCN(C(=O)Nc2ccccc2CC(F)(F)F)C1 ZINC000557177034 597121034 /nfs/dbraw/zinc/12/10/34/597121034.db2.gz CAZMOANIVXHMKU-NSHDSACASA-N -1 0 344.333 3.510 20 0 EHADRM Cc1coc(-c2ccc(C)c(NC(=O)NC(C)(C)CCC(=O)[O-])c2)n1 ZINC000262998299 597140449 /nfs/dbraw/zinc/14/04/49/597140449.db2.gz FSRBNNGLIAFIRO-UHFFFAOYSA-N -1 0 345.399 3.723 20 0 EHADRM CCCN(Cc1ccccc1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000383623952 597192088 /nfs/dbraw/zinc/19/20/88/597192088.db2.gz HDIXFDSWMUUSEF-UHFFFAOYSA-N -1 0 326.396 3.758 20 0 EHADRM C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)NCCC(=O)[O-] ZINC000414606885 597223290 /nfs/dbraw/zinc/22/32/90/597223290.db2.gz FSDASZQJJUURJP-CQSZACIVSA-N -1 0 326.396 3.531 20 0 EHADRM CN(Cc1cccc2ccccc21)C(=O)NCCCCCC(=O)[O-] ZINC000414628283 597235439 /nfs/dbraw/zinc/23/54/39/597235439.db2.gz OHWCIFDEJKPFCH-UHFFFAOYSA-N -1 0 328.412 3.626 20 0 EHADRM CC(C)N(Cc1ccccc1F)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263399649 597300787 /nfs/dbraw/zinc/30/07/87/597300787.db2.gz RWFSLOQILMNKQB-UHFFFAOYSA-N -1 0 344.386 3.644 20 0 EHADRM CN(Cc1cccc(Cl)c1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000320174809 597320824 /nfs/dbraw/zinc/32/08/24/597320824.db2.gz RFQYTQTUZRUWRS-UHFFFAOYSA-N -1 0 332.787 3.631 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)NC[C@H]1CCCc2ccccc21 ZINC000819618400 597321780 /nfs/dbraw/zinc/32/17/80/597321780.db2.gz VLTWIIGHVJHNNE-MRXNPFEDSA-N -1 0 338.407 3.555 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000818944243 597330369 /nfs/dbraw/zinc/33/03/69/597330369.db2.gz KATHLXCLYLDIPW-SFHVURJKSA-N -1 0 338.407 3.991 20 0 EHADRM C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818071152 597333313 /nfs/dbraw/zinc/33/33/13/597333313.db2.gz IAEOCWOHZHJLEW-LLVKDONJSA-N -1 0 348.349 3.817 20 0 EHADRM C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000818071191 597333339 /nfs/dbraw/zinc/33/33/39/597333339.db2.gz IWJCNUJTEQPRFD-LBPRGKRZSA-N -1 0 330.359 3.678 20 0 EHADRM CC(C)c1ccccc1OCCC(=O)Nc1ccccc1CC(=O)[O-] ZINC000820057624 597376825 /nfs/dbraw/zinc/37/68/25/597376825.db2.gz QQLXMLYVYIXHEA-UHFFFAOYSA-N -1 0 341.407 3.845 20 0 EHADRM O=C([O-])CCCOC(=O)c1ccc(C2SCCCS2)cc1 ZINC000738580515 597825691 /nfs/dbraw/zinc/82/56/91/597825691.db2.gz LZQRUFYZLXLLGK-UHFFFAOYSA-N -1 0 326.439 3.577 20 0 EHADRM CC(C)N(CC(=O)[O-])C(=S)Nc1ccc(Oc2ccccc2)cc1 ZINC000820009490 598058604 /nfs/dbraw/zinc/05/86/04/598058604.db2.gz LRGZQBJOCWUFQL-UHFFFAOYSA-N -1 0 344.436 3.971 20 0 EHADRM O=C([O-])C1CCC(NC(=O)N(Cc2ccoc2)C2CCCCC2)CC1 ZINC000263510075 598152234 /nfs/dbraw/zinc/15/22/34/598152234.db2.gz YLXMAMACQDVEOJ-UHFFFAOYSA-N -1 0 348.443 3.767 20 0 EHADRM COc1ccc([C@H]2CCCCCN2C(=O)NCCCCC(=O)[O-])cc1 ZINC000666557182 598170050 /nfs/dbraw/zinc/17/00/50/598170050.db2.gz BGRNPHZJRBIYFO-QGZVFWFLSA-N -1 0 348.443 3.577 20 0 EHADRM C[C@H](NC(=O)Nc1ccccc1CC(=O)[O-])c1ccccc1Cl ZINC000320223749 598176213 /nfs/dbraw/zinc/17/62/13/598176213.db2.gz ZSYDODQATXRNLP-NSHDSACASA-N -1 0 332.787 3.850 20 0 EHADRM COc1cc([C@@H](C)Nc2cccc(CC(=O)[O-])c2)cc(OC)c1OC ZINC000820759488 598198268 /nfs/dbraw/zinc/19/82/68/598198268.db2.gz VIABPHXDIRBKQY-GFCCVEGCSA-N -1 0 345.395 3.513 20 0 EHADRM Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)on1 ZINC000738378554 599714802 /nfs/dbraw/zinc/71/48/02/599714802.db2.gz IMEHMYXNPIHEDB-ZDUSSCGKSA-N -1 0 348.334 3.581 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)NCC2(c3ccccc3)CC2)ccc1F ZINC000740006401 599716175 /nfs/dbraw/zinc/71/61/75/599716175.db2.gz DFZYETHRPWPQNQ-UHFFFAOYSA-N -1 0 343.358 3.769 20 0 EHADRM CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)CCCNC(=O)[O-] ZINC000737210855 599716649 /nfs/dbraw/zinc/71/66/49/599716649.db2.gz MAPYAABJCJMFFE-ZDUSSCGKSA-N -1 0 348.443 3.752 20 0 EHADRM CC(C)(C)SCCNC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736285832 599717793 /nfs/dbraw/zinc/71/77/93/599717793.db2.gz CJRIETIESBEMGP-UHFFFAOYSA-N -1 0 329.397 3.569 20 0 EHADRM O=C([O-])c1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1O ZINC000124611087 599719690 /nfs/dbraw/zinc/71/96/90/599719690.db2.gz LJCGFIVVMIRWRM-UHFFFAOYSA-N -1 0 326.135 3.650 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)Cc2ccccc2C(F)(F)F)c1 ZINC000238103923 599728493 /nfs/dbraw/zinc/72/84/93/599728493.db2.gz MRUPRWXSRCOLQV-UHFFFAOYSA-N -1 0 341.260 3.724 20 0 EHADRM CCCCN(Cc1ccccc1Cl)C(=O)CCCNC(=O)[O-] ZINC000736993973 599730677 /nfs/dbraw/zinc/73/06/77/599730677.db2.gz MBPNPANLUOZXQY-UHFFFAOYSA-N -1 0 326.824 3.517 20 0 EHADRM CC(C)C[C@H](C)CC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000736403205 599732938 /nfs/dbraw/zinc/73/29/38/599732938.db2.gz BTCSXEGBGMMECK-AWEZNQCLSA-N -1 0 332.444 3.996 20 0 EHADRM Cc1[nH]c(C(=O)[C@@H](C)Nc2cccc(C(F)F)c2)c(C)c1C(=O)[O-] ZINC000738236623 599734522 /nfs/dbraw/zinc/73/45/22/599734522.db2.gz NOQSGNFEASLKOO-SNVBAGLBSA-N -1 0 336.338 3.951 20 0 EHADRM O=C([O-])c1cccc(CSc2nnc(Cc3ccccc3F)o2)c1 ZINC000740226154 599743981 /nfs/dbraw/zinc/74/39/81/599743981.db2.gz VPPOGHCCRFKTAP-UHFFFAOYSA-N -1 0 344.367 3.790 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C)C(=O)[O-] ZINC000737234655 599744283 /nfs/dbraw/zinc/74/42/83/599744283.db2.gz WGRJHFXRNKJTMH-VBQJREDUSA-N -1 0 335.444 3.501 20 0 EHADRM C[C@H](c1ccccc1Cl)N(C(=O)CCSCC(=O)[O-])C1CC1 ZINC000736723485 599749420 /nfs/dbraw/zinc/74/94/20/599749420.db2.gz GNWADFAPBXKASU-LLVKDONJSA-N -1 0 341.860 3.600 20 0 EHADRM Cc1[nH]c(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)c(C)c1C(=O)[O-] ZINC000738156111 599754192 /nfs/dbraw/zinc/75/41/92/599754192.db2.gz PEEWKGJSYDKLQZ-KRWDZBQOSA-N -1 0 344.386 3.740 20 0 EHADRM CCN(Cc1c(F)cccc1F)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000737102043 599757371 /nfs/dbraw/zinc/75/73/71/599757371.db2.gz QQWQLEXCCIVWDK-UHFFFAOYSA-N -1 0 348.349 3.646 20 0 EHADRM Cc1oc(CN(C)C(=O)Nc2cccc(C(F)F)c2)cc1C(=O)[O-] ZINC000738966949 599759075 /nfs/dbraw/zinc/75/90/75/599759075.db2.gz GIZWCFQBIZKUNK-UHFFFAOYSA-N -1 0 338.310 3.888 20 0 EHADRM Cc1nc(-c2ccco2)ccc1C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000431998407 599764543 /nfs/dbraw/zinc/76/45/43/599764543.db2.gz MGZLFUPUCAIMKQ-UHFFFAOYSA-N -1 0 342.395 3.557 20 0 EHADRM Cc1nc(-c2ccsc2)ccc1C(=O)N(CCC(=O)[O-])CC(C)C ZINC000190693221 599764797 /nfs/dbraw/zinc/76/47/97/599764797.db2.gz ZRQOBLSWZQVITG-UHFFFAOYSA-N -1 0 346.452 3.691 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2cc(Cl)c(Cl)[nH]2)cc1 ZINC000127082727 599768475 /nfs/dbraw/zinc/76/84/75/599768475.db2.gz BSIYPCSYKLDVFX-UHFFFAOYSA-N -1 0 327.167 3.591 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCC[C@@H]2Cc2ccc(F)cc2)cc1 ZINC000540668065 599773494 /nfs/dbraw/zinc/77/34/94/599773494.db2.gz LDDBQSOJYOQTDR-GOSISDBHSA-N -1 0 341.382 3.761 20 0 EHADRM CC[C@@H](C)[C@@H](C)N(C(=O)Cn1cc(C(=O)[O-])c2ccccc21)C1CC1 ZINC000736871998 599774841 /nfs/dbraw/zinc/77/48/41/599774841.db2.gz YNGGGDFZZCRWAN-ZIAGYGMSSA-N -1 0 342.439 3.765 20 0 EHADRM Cc1ccc(-c2csc3ncnc(NC[C@H](C)C(=O)[O-])c23)cc1 ZINC000738493541 599783752 /nfs/dbraw/zinc/78/37/52/599783752.db2.gz QRZCFIVQNJJSBX-NSHDSACASA-N -1 0 327.409 3.799 20 0 EHADRM O=C([O-])[C@@H](NCc1csc(-c2ccccc2F)n1)c1ccccc1 ZINC000739506258 599786428 /nfs/dbraw/zinc/78/64/28/599786428.db2.gz XJVUNPCLLWNZJQ-INIZCTEOSA-N -1 0 342.395 3.865 20 0 EHADRM O=C([O-])CCCCCCNC(=O)N1CC2(CCC2)c2c1cccc2F ZINC000738565140 599791412 /nfs/dbraw/zinc/79/14/12/599791412.db2.gz GTTNMXWOYDPYJH-UHFFFAOYSA-N -1 0 348.418 3.812 20 0 EHADRM Cc1oc(CN2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1C(=O)[O-] ZINC000738977218 599796331 /nfs/dbraw/zinc/79/63/31/599796331.db2.gz AMYAJXDVTASRND-UHFFFAOYSA-N -1 0 344.798 3.979 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)Cc1cc(C)ccc1C ZINC000737874549 599796401 /nfs/dbraw/zinc/79/64/01/599796401.db2.gz WEDOLXXNCKYANZ-CLFYSBASSA-N -1 0 340.375 3.558 20 0 EHADRM COC(=O)c1cc(OCc2ccc(OC(C)C)cc2)cc(C(=O)[O-])c1 ZINC000737674644 599801906 /nfs/dbraw/zinc/80/19/06/599801906.db2.gz MLZLQLOUAKJZCI-UHFFFAOYSA-N -1 0 344.363 3.538 20 0 EHADRM CC(C)n1c(=O)c2ccccc2nc1SCc1cc(C(=O)[O-])co1 ZINC000736532184 599802789 /nfs/dbraw/zinc/80/27/89/599802789.db2.gz BDCYGSPILOAGNG-UHFFFAOYSA-N -1 0 344.392 3.561 20 0 EHADRM O=C([O-])c1sccc1NC(=O)CSCc1cccc(Cl)c1 ZINC000037451780 599803052 /nfs/dbraw/zinc/80/30/52/599803052.db2.gz BBCJZMHJDLHERL-UHFFFAOYSA-N -1 0 341.841 3.972 20 0 EHADRM O=C([O-])c1sccc1NC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000387096105 599803489 /nfs/dbraw/zinc/80/34/89/599803489.db2.gz WEYVHSCINQAEQW-UHFFFAOYSA-N -1 0 331.271 3.597 20 0 EHADRM O=C([O-])c1sccc1NC(=O)c1csc(-c2cccs2)n1 ZINC000037451922 599803903 /nfs/dbraw/zinc/80/39/03/599803903.db2.gz OUJCDPYOVSTJNU-UHFFFAOYSA-N -1 0 336.419 3.884 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCc1csc(-c2ccoc2)n1 ZINC000737863729 599805084 /nfs/dbraw/zinc/80/50/84/599805084.db2.gz PTMJRCQFEMUPEK-UHFFFAOYSA-N -1 0 331.349 3.689 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CC[C@H](c2cccc(F)c2)C1 ZINC000738531776 599805704 /nfs/dbraw/zinc/80/57/04/599805704.db2.gz CHORFHBQVAGWCD-HNNXBMFYSA-N -1 0 342.370 3.854 20 0 EHADRM COc1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)[O-])c(Cl)c1 ZINC000737931524 599807137 /nfs/dbraw/zinc/80/71/37/599807137.db2.gz LGFJEBGWJJAEGB-UHFFFAOYSA-N -1 0 339.800 3.977 20 0 EHADRM CC(C)[C@@H](NC(=O)[O-])C(=O)Oc1ccc2oc3c(c2c1)CCCC3 ZINC000736385238 599808456 /nfs/dbraw/zinc/80/84/56/599808456.db2.gz OPZNTOIYNJFNHM-MRXNPFEDSA-N -1 0 331.368 3.509 20 0 EHADRM O=C([O-])C[C@H](NC(=O)C[C@H]1CCCc2ccccc21)c1cccs1 ZINC000237937420 599811866 /nfs/dbraw/zinc/81/18/66/599811866.db2.gz SWUGYKDSNHDXJV-ZBFHGGJFSA-N -1 0 343.448 3.890 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C[C@H]1CCCc2ccccc21 ZINC000358599833 599816248 /nfs/dbraw/zinc/81/62/48/599816248.db2.gz XKRQTLKBVXLMFL-NEPXVJNWSA-N -1 0 341.451 3.741 20 0 EHADRM CCC[C@H](NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1ccccn1 ZINC000736973178 599816673 /nfs/dbraw/zinc/81/66/73/599816673.db2.gz JBQTVMMQDDYDEF-AWEZNQCLSA-N -1 0 349.337 3.721 20 0 EHADRM CCC[C@H](NC(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccccn1 ZINC000736973818 599816851 /nfs/dbraw/zinc/81/68/51/599816851.db2.gz MMYOIABZSWPPTC-AWEZNQCLSA-N -1 0 331.347 3.582 20 0 EHADRM CCC[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000621552768 599817337 /nfs/dbraw/zinc/81/73/37/599817337.db2.gz CJMWOSMCEBIEMN-SECBINFHSA-N -1 0 333.306 3.701 20 0 EHADRM CCN(CCC(F)(F)F)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000737101010 599823934 /nfs/dbraw/zinc/82/39/34/599823934.db2.gz RVVMHEQUEFDXIC-UHFFFAOYSA-N -1 0 332.322 3.510 20 0 EHADRM C[C@H]1CCC[C@@H](CC(=O)N(CC(=O)[O-])Cc2ccc(F)c(F)c2)C1 ZINC000736774141 599831651 /nfs/dbraw/zinc/83/16/51/599831651.db2.gz GSKYZSPFJJVGKP-QWHCGFSZSA-N -1 0 339.382 3.594 20 0 EHADRM CN(C(=O)Cc1c[nH]c2cc(Cl)ccc12)c1ccccc1C(=O)[O-] ZINC000737325579 599836688 /nfs/dbraw/zinc/83/66/88/599836688.db2.gz LSLTZKCIADYTEU-UHFFFAOYSA-N -1 0 342.782 3.725 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(C)ccc2F)cc1 ZINC000237361254 599844027 /nfs/dbraw/zinc/84/40/27/599844027.db2.gz SKJWTMGGGFAGEL-INIZCTEOSA-N -1 0 347.411 3.802 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000325014454 599846063 /nfs/dbraw/zinc/84/60/63/599846063.db2.gz CVBRDUDIACOGHD-UHFFFAOYSA-N -1 0 331.274 3.970 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)c1cc(Cl)nc2ccccc21 ZINC000326105781 599846088 /nfs/dbraw/zinc/84/60/88/599846088.db2.gz YVGIGPCCHSZNQU-UHFFFAOYSA-N -1 0 344.729 3.978 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000196360120 599848314 /nfs/dbraw/zinc/84/83/14/599848314.db2.gz PBQYKBINLPALBE-UHFFFAOYSA-N -1 0 327.233 3.795 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)/C=C/c2cccs2)cc1 ZINC000181874239 599848534 /nfs/dbraw/zinc/84/85/34/599848534.db2.gz BXVAVNZCQLAWSV-HVHJFMEUSA-N -1 0 347.461 3.815 20 0 EHADRM O=C([O-])c1c(F)cccc1NCC(=O)Nc1cccc2ccccc21 ZINC000739307904 599856858 /nfs/dbraw/zinc/85/68/58/599856858.db2.gz DNPCBUYYHYLNSP-UHFFFAOYSA-N -1 0 338.338 3.728 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)CNc1ccc(CCC(=O)[O-])cc1 ZINC000738605624 599857720 /nfs/dbraw/zinc/85/77/20/599857720.db2.gz XMVJRXCEECWKPP-UHFFFAOYSA-N -1 0 346.814 3.716 20 0 EHADRM O=C([O-])c1coc(C2=NNC(=Nc3ccc(Cl)cc3)SC2)c1 ZINC000740268263 599858116 /nfs/dbraw/zinc/85/81/16/599858116.db2.gz GMFVLRGANSKSKO-UHFFFAOYSA-N -1 0 335.772 3.550 20 0 EHADRM CC(C)CCO[C@@H](C)C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000676019487 599870303 /nfs/dbraw/zinc/87/03/03/599870303.db2.gz OYAIMCQIMYOORZ-LBPRGKRZSA-N -1 0 349.452 3.667 20 0 EHADRM O=C([O-])c1sc2cccc(F)c2c1COC(=O)c1cscn1 ZINC000740290405 599883153 /nfs/dbraw/zinc/88/31/53/599883153.db2.gz MRDFKSMQJIRLBH-UHFFFAOYSA-N -1 0 337.353 3.552 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)NC2CC(c3ccccc3)C2)c1 ZINC000740042646 599888035 /nfs/dbraw/zinc/88/80/35/599888035.db2.gz JHPSJROXKMGXEJ-UHFFFAOYSA-N -1 0 325.368 3.844 20 0 EHADRM O=C([O-])N1CCC[C@@H](NC(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000739462332 599888923 /nfs/dbraw/zinc/88/89/23/599888923.db2.gz HYSRYNUNCOYHBH-QGZVFWFLSA-N -1 0 339.395 3.618 20 0 EHADRM CCCCCc1ccc(NC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000736991574 599889323 /nfs/dbraw/zinc/88/93/23/599889323.db2.gz MMYPSMSKBLSHRQ-MRXNPFEDSA-N -1 0 333.432 3.683 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)OCc1ccc(-c2ccccc2)cc1 ZINC000736380294 599889551 /nfs/dbraw/zinc/88/95/51/599889551.db2.gz QHTWNOZPCYSMTL-KRWDZBQOSA-N -1 0 327.380 3.689 20 0 EHADRM CC(C)c1nc(CCNC(=O)Nc2cccc(NC(=O)[O-])c2)cs1 ZINC000736524815 599892155 /nfs/dbraw/zinc/89/21/55/599892155.db2.gz GRJQLNJDNRSIHE-UHFFFAOYSA-N -1 0 348.428 3.721 20 0 EHADRM CCC[C@](C)(NC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000236822108 599892371 /nfs/dbraw/zinc/89/23/71/599892371.db2.gz YHQAQELHJWAYGW-HLIPFELVSA-N -1 0 325.408 3.703 20 0 EHADRM O=C([O-])c1c(NC(=O)c2cc(F)c(F)c(F)c2)sc2c1CCC2 ZINC000320977471 599895067 /nfs/dbraw/zinc/89/50/67/599895067.db2.gz YGGJBVGTOWNOCU-UHFFFAOYSA-N -1 0 341.310 3.605 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cccc(OC2CCCC2)c1)c1ccccc1 ZINC000238034875 599896835 /nfs/dbraw/zinc/89/68/35/599896835.db2.gz TUNYIUUICHQMKB-GOSISDBHSA-N -1 0 339.391 3.564 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2ccccc2N2CCCC2)c1 ZINC000740036907 599897164 /nfs/dbraw/zinc/89/71/64/599897164.db2.gz QHWJSDPDYNUTDU-UHFFFAOYSA-N -1 0 325.368 3.629 20 0 EHADRM Cc1ccc(CSCCNC(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000738604282 599897317 /nfs/dbraw/zinc/89/73/17/599897317.db2.gz ZRUFQOZSSLOWLX-UHFFFAOYSA-N -1 0 344.436 3.748 20 0 EHADRM CCCCCN(CCCCC)C(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000736990471 599899642 /nfs/dbraw/zinc/89/96/42/599899642.db2.gz LNTXZTYWLPTWKJ-HNNXBMFYSA-N -1 0 327.469 3.521 20 0 EHADRM O=C([O-])c1ccc(COC(=O)C[C@@H](c2ccccc2)C(F)(F)F)o1 ZINC000739217714 599904128 /nfs/dbraw/zinc/90/41/28/599904128.db2.gz ZZDWIUDZLMYGNV-LBPRGKRZSA-N -1 0 342.269 3.757 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)NCCc2cccc3ccccc32)c1 ZINC000740030321 599905026 /nfs/dbraw/zinc/90/50/26/599905026.db2.gz IRMPLXOJZWHDPR-UHFFFAOYSA-N -1 0 334.375 3.902 20 0 EHADRM CC(C)(C(=O)Nc1ccc(OCCC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000236727319 599909810 /nfs/dbraw/zinc/90/98/10/599909810.db2.gz JNCQKDRMLPUTKP-UHFFFAOYSA-N -1 0 345.370 3.596 20 0 EHADRM O=Cc1cc(C(=O)[O-])ccc1OCc1c(Cl)ccc2cccnc21 ZINC000740318238 599910058 /nfs/dbraw/zinc/91/00/58/599910058.db2.gz VVKPIRCBWKXKPB-UHFFFAOYSA-N -1 0 341.750 3.978 20 0 EHADRM C[C@H](CC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-])c1ccccc1F ZINC000262444713 599912959 /nfs/dbraw/zinc/91/29/59/599912959.db2.gz UAGOMNWRCGCUSA-KFZJALRRSA-N -1 0 333.403 3.564 20 0 EHADRM CC[C@H](COC(=O)c1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000736904580 599913593 /nfs/dbraw/zinc/91/35/93/599913593.db2.gz MFHLBTXGRYYJDP-CQSZACIVSA-N -1 0 328.364 3.501 20 0 EHADRM Cc1cc(Br)oc1C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000341217555 599915903 /nfs/dbraw/zinc/91/59/03/599915903.db2.gz VSBHZIPNIGCUAI-UHFFFAOYSA-N -1 0 338.157 3.609 20 0 EHADRM C[C@H](CN(C(=O)c1ccc2c(c1)Cc1ccccc1-2)C1CC1)C(=O)[O-] ZINC000431795909 599919640 /nfs/dbraw/zinc/91/96/40/599919640.db2.gz IIGZOSBSDJCRKD-CYBMUJFWSA-N -1 0 335.403 3.583 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000238076235 599922235 /nfs/dbraw/zinc/92/22/35/599922235.db2.gz LUQMVTVQHQPSSN-UHFFFAOYSA-N -1 0 335.812 3.910 20 0 EHADRM Cc1ccc(NC(=O)c2cccc(C(=O)[O-])c2)cc1OCC(F)F ZINC000237662117 599926819 /nfs/dbraw/zinc/92/68/19/599926819.db2.gz PONPBQZUZXFRRL-UHFFFAOYSA-N -1 0 335.306 3.589 20 0 EHADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Oc1ccccc1C(C)C ZINC000738290047 599930474 /nfs/dbraw/zinc/93/04/74/599930474.db2.gz IGCKKWWITSWNSK-UHFFFAOYSA-N -1 0 334.393 3.584 20 0 EHADRM CCSc1cc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)ccn1 ZINC000737231730 599931634 /nfs/dbraw/zinc/93/16/34/599931634.db2.gz QPUYDMPBUYXEAN-OAHLLOKOSA-N -1 0 344.436 3.530 20 0 EHADRM Cc1[nH]c(C(=O)NC(C)(C)Cc2ccccc2Cl)c(C)c1C(=O)[O-] ZINC000738238196 599938132 /nfs/dbraw/zinc/93/81/32/599938132.db2.gz AVBYWAMNBMCRKC-UHFFFAOYSA-N -1 0 348.830 3.734 20 0 EHADRM CCC(=O)Nc1ccc(C(=O)c2cc3cc(C(=O)[O-])ccc3o2)cc1 ZINC000736848854 599941001 /nfs/dbraw/zinc/94/10/01/599941001.db2.gz YJAAVRIAZWYMIZ-UHFFFAOYSA-N -1 0 337.331 3.711 20 0 EHADRM COCc1ccc(C(=O)OCc2c3ccccc3sc2C(=O)[O-])o1 ZINC000737834152 599943358 /nfs/dbraw/zinc/94/33/58/599943358.db2.gz JMPJUXBNDLSPOD-UHFFFAOYSA-N -1 0 346.360 3.696 20 0 EHADRM COc1cccc(C2(C(=O)OCc3cc(C(=O)[O-])co3)CCCC2)c1 ZINC000738095139 599952882 /nfs/dbraw/zinc/95/28/82/599952882.db2.gz DTEHWNYILNMLHT-UHFFFAOYSA-N -1 0 344.363 3.542 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)CNc2cccc(Cl)c2)cc1 ZINC000737333443 599962907 /nfs/dbraw/zinc/96/29/07/599962907.db2.gz UVHDHPWNSMHENM-UHFFFAOYSA-N -1 0 333.775 3.505 20 0 EHADRM CCCc1c(C(=O)Nc2cccc([C@@H](C)OC)c2)[nH]c(C)c1C(=O)[O-] ZINC000737043247 599991827 /nfs/dbraw/zinc/99/18/27/599991827.db2.gz IHWRVWGFMHCGMC-GFCCVEGCSA-N -1 0 344.411 3.934 20 0 EHADRM Cc1cc2nc(-c3ccccc3)cc(C(=O)OCC(=O)[O-])c2cc1C ZINC000738478263 599996071 /nfs/dbraw/zinc/99/60/71/599996071.db2.gz GWWJEPCJOPVRBR-UHFFFAOYSA-N -1 0 335.359 3.760 20 0 EHADRM O=C([O-])c1occc1COC(=O)[C@@H](OC1CCCC1)c1ccccc1 ZINC000740280654 599999252 /nfs/dbraw/zinc/99/92/52/599999252.db2.gz DTDRYZJZCFWULE-KRWDZBQOSA-N -1 0 344.363 3.722 20 0 EHADRM Cc1sc2ncnc(N3Cc4ccc(C(=O)[O-])cc4C3)c2c1C ZINC000321599749 600006519 /nfs/dbraw/zinc/00/65/19/600006519.db2.gz FWGRZSNQPKTKFE-UHFFFAOYSA-N -1 0 325.393 3.527 20 0 EHADRM Cc1cc(NC(=S)Nc2ccc(Cl)nc2)sc1C(=O)[O-] ZINC000738238938 600007306 /nfs/dbraw/zinc/00/73/06/600007306.db2.gz GRXYBYUMUYLSNT-UHFFFAOYSA-N -1 0 327.818 3.612 20 0 EHADRM CC(C)c1csc(NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)n1 ZINC000321779453 600009865 /nfs/dbraw/zinc/00/98/65/600009865.db2.gz SLOJCHBGSDZLFB-UHFFFAOYSA-N -1 0 331.397 3.512 20 0 EHADRM CCC(CC)(C(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000236866357 600022667 /nfs/dbraw/zinc/02/26/67/600022667.db2.gz JKSGEEWHNQSJLX-ZDUSSCGKSA-N -1 0 337.847 3.721 20 0 EHADRM C/C(=C/C(=O)Oc1cccc(CC(=O)[O-])c1)c1ccccc1Cl ZINC000736122809 600026184 /nfs/dbraw/zinc/02/61/84/600026184.db2.gz ZNVLGEFJHOYXEW-XFXZXTDPSA-N -1 0 330.767 3.976 20 0 EHADRM O=C([O-])C1CCC(NC(=O)Nc2ccc3c4c(cccc42)CC3)CC1 ZINC000263451453 600026648 /nfs/dbraw/zinc/02/66/48/600026648.db2.gz APLXUYVBFXSUAY-UHFFFAOYSA-N -1 0 338.407 3.703 20 0 EHADRM CCc1[nH]c(C(=O)N2CCCc3cccc(Cl)c32)c(C)c1C(=O)[O-] ZINC000737241884 600027029 /nfs/dbraw/zinc/02/70/29/600027029.db2.gz OJVQFDNZARMMNB-UHFFFAOYSA-N -1 0 346.814 3.830 20 0 EHADRM O=C([O-])C1CCC(NC(=O)N2CCCCC[C@H]2c2ccccc2)CC1 ZINC000263453050 600027001 /nfs/dbraw/zinc/02/70/01/600027001.db2.gz GSGREQWRYDJTAT-ABHNRTSZSA-N -1 0 344.455 3.957 20 0 EHADRM COc1cccc([C@H]2C[C@@H]2C(=O)Oc2ccc(C(=O)[O-])cc2Cl)c1 ZINC000738096598 600035501 /nfs/dbraw/zinc/03/55/01/600035501.db2.gz QRGMWOWDKZAHKO-KGLIPLIRSA-N -1 0 346.766 3.756 20 0 EHADRM COc1ccc([C@@H](C)N(C)C(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000237181181 600036444 /nfs/dbraw/zinc/03/64/44/600036444.db2.gz CZVBABKFCQFDAN-CQSZACIVSA-N -1 0 341.407 3.546 20 0 EHADRM CCCOc1cccc(NC(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000236884523 600038315 /nfs/dbraw/zinc/03/83/15/600038315.db2.gz LMGDXHYELKPCFA-UHFFFAOYSA-N -1 0 327.380 3.745 20 0 EHADRM CC(C)[C@@H](Sc1ccccc1)C(=O)OCc1occc1C(=O)[O-] ZINC000736392697 600039068 /nfs/dbraw/zinc/03/90/68/600039068.db2.gz VSMWFLPUHPTZGM-OAHLLOKOSA-N -1 0 334.393 3.838 20 0 EHADRM CC(C)COc1ccccc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000236657004 600039894 /nfs/dbraw/zinc/03/98/94/600039894.db2.gz XLVCGMWRLWLBKY-UHFFFAOYSA-N -1 0 341.407 3.991 20 0 EHADRM Cc1cc(C)c(/C=C/C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1C ZINC000738356057 600041628 /nfs/dbraw/zinc/04/16/28/600041628.db2.gz QGSNOEMJEFHJJU-VOTSOKGWSA-N -1 0 335.403 3.866 20 0 EHADRM O=C([O-])c1cccc(COC(=O)c2ccc(Oc3cccnc3)cc2)c1 ZINC000740221826 600043795 /nfs/dbraw/zinc/04/37/95/600043795.db2.gz XUCKAMVSRHNDEB-UHFFFAOYSA-N -1 0 349.342 3.929 20 0 EHADRM Cc1ccc(CCCCC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000621556400 600045799 /nfs/dbraw/zinc/04/57/99/600045799.db2.gz JSSSRTUZBXEFEL-UHFFFAOYSA-N -1 0 337.419 3.948 20 0 EHADRM Cc1c(C(=O)NC2CCC(C(=O)[O-])CC2)sc2cccc(F)c12 ZINC000261621375 600049902 /nfs/dbraw/zinc/04/99/02/600049902.db2.gz AXXQNFLEUUCXNW-UHFFFAOYSA-N -1 0 335.400 3.722 20 0 EHADRM COC(=O)c1cc(F)ccc1COc1ccc(C(=O)[O-])cc1Cl ZINC000737654356 600057817 /nfs/dbraw/zinc/05/78/17/600057817.db2.gz ROUZUKURMVPNBK-UHFFFAOYSA-N -1 0 338.718 3.543 20 0 EHADRM CC(C)CNc1nnc(SCc2ccc(F)cc2C(=O)[O-])s1 ZINC000736440191 600058575 /nfs/dbraw/zinc/05/85/75/600058575.db2.gz LDMDIKBQAWEIGZ-UHFFFAOYSA-N -1 0 341.433 3.736 20 0 EHADRM CCOc1ccc(Oc2ccc(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])cc2)cc1 ZINC000485662622 600059870 /nfs/dbraw/zinc/05/98/70/600059870.db2.gz FGVZAAQLVOOMFA-IRXDYDNUSA-N -1 0 341.363 3.537 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2cc(F)c(Cl)nc2Cl)c1 ZINC000740141029 600061518 /nfs/dbraw/zinc/06/15/18/600061518.db2.gz WNJPFFFFNLZORH-UHFFFAOYSA-N -1 0 347.104 3.617 20 0 EHADRM CC/C(=C\C(=O)NCc1ccc(OC)c(C(=O)[O-])c1)c1ccccc1 ZINC000736837314 600062068 /nfs/dbraw/zinc/06/20/68/600062068.db2.gz UYOKOJSNGSZHTK-NTCAYCPXSA-N -1 0 339.391 3.503 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(F)c(C)c2)cc1 ZINC000237353503 600063265 /nfs/dbraw/zinc/06/32/65/600063265.db2.gz KEUQHNKJUWTURH-MRXNPFEDSA-N -1 0 347.411 3.802 20 0 EHADRM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000485631838 600063765 /nfs/dbraw/zinc/06/37/65/600063765.db2.gz BTGJSXLZGPAMLG-STQMWFEESA-N -1 0 331.755 3.792 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)[C@H]2CC2(Cl)Cl)c1 ZINC000238212755 600067389 /nfs/dbraw/zinc/06/73/89/600067389.db2.gz ITBOLCWUZPBNMU-LLVKDONJSA-N -1 0 348.251 3.527 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)/C=C\c2ccco2)c1 ZINC000739754628 600068305 /nfs/dbraw/zinc/06/83/05/600068305.db2.gz VPPBBLNXDKZEJA-SREVYHEPSA-N -1 0 331.393 3.639 20 0 EHADRM Cc1cccc(C[C@H](CNC(=O)c2ccc(C)c(Cl)c2)C(=O)[O-])c1 ZINC000738711657 600070566 /nfs/dbraw/zinc/07/05/66/600070566.db2.gz NGMFSHPVISYFSQ-MRXNPFEDSA-N -1 0 345.826 3.630 20 0 EHADRM O=C([O-])c1cccc(C(=O)N(Cc2cccc(F)c2)C2CCCC2)n1 ZINC000740212831 600071665 /nfs/dbraw/zinc/07/16/65/600071665.db2.gz SAEINBQIDFFXGZ-UHFFFAOYSA-N -1 0 342.370 3.504 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000738122064 600073518 /nfs/dbraw/zinc/07/35/18/600073518.db2.gz XMVNBDULQPSQLQ-LUAWRHEFSA-N -1 0 329.327 3.575 20 0 EHADRM Cc1cc(Nc2ccc(CCC(=O)[O-])cc2)nc(-c2ccccn2)n1 ZINC000738464005 600075708 /nfs/dbraw/zinc/07/57/08/600075708.db2.gz UJHIRPRJROYPNO-UHFFFAOYSA-N -1 0 334.379 3.608 20 0 EHADRM Cc1cc(NCc2cc(=O)oc3cc4c(cc23)CCC4)ccc1C(=O)[O-] ZINC000738461567 600076221 /nfs/dbraw/zinc/07/62/21/600076221.db2.gz HXXNYZRLMOCINM-UHFFFAOYSA-N -1 0 349.386 3.900 20 0 EHADRM CC(C)(C)c1ccc(O)c(NC(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000736298853 600086792 /nfs/dbraw/zinc/08/67/92/600086792.db2.gz VIZKSIAVQLNVAE-UHFFFAOYSA-N -1 0 341.407 3.959 20 0 EHADRM COc1cc(Cl)ccc1C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000737888963 600087313 /nfs/dbraw/zinc/08/73/13/600087313.db2.gz LOVAVFDXXNTUMW-UHFFFAOYSA-N -1 0 338.722 3.830 20 0 EHADRM C[C@H](c1nc(-c2cccs2)no1)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736725192 600087855 /nfs/dbraw/zinc/08/78/55/600087855.db2.gz QEDSYFBABGWWKM-SNVBAGLBSA-N -1 0 341.392 3.573 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2ccnc3ccccc32)ccc1F ZINC000740011495 600088448 /nfs/dbraw/zinc/08/84/48/600088448.db2.gz DNWMIYIINCRVET-UHFFFAOYSA-N -1 0 325.299 3.716 20 0 EHADRM COc1ccc(C=CC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000737981373 600089840 /nfs/dbraw/zinc/08/98/40/600089840.db2.gz FIKFLMLYSMRGLV-WTKPLQERSA-N -1 0 330.315 3.576 20 0 EHADRM Cc1ccc(C)c(OCC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000738577427 600089949 /nfs/dbraw/zinc/08/99/49/600089949.db2.gz WJDJZVTVTWSBOR-UHFFFAOYSA-N -1 0 332.331 3.550 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2cccc(OC(F)F)c2)ccc1F ZINC000740011965 600090370 /nfs/dbraw/zinc/09/03/70/600090370.db2.gz HHCYIGOQDUTILO-UHFFFAOYSA-N -1 0 340.257 3.769 20 0 EHADRM O=C([O-])[C@H](c1ccc(F)cc1)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000580652264 600101982 /nfs/dbraw/zinc/10/19/82/600101982.db2.gz DVHCORPPEQYNJJ-IRXDYDNUSA-N -1 0 349.789 3.678 20 0 EHADRM COc1ccccc1C/C(C)=C/C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC000738123354 600108637 /nfs/dbraw/zinc/10/86/37/600108637.db2.gz FVTQYAFTLSJKEX-WYMLVPIESA-N -1 0 340.375 3.626 20 0 EHADRM COc1ccccc1C/C(C)=C\C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000738123763 600108781 /nfs/dbraw/zinc/10/87/81/600108781.db2.gz HWBDAIZYHJCTOW-HHQWOOOKSA-N -1 0 344.363 3.780 20 0 EHADRM CSc1ccccc1NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000322990611 600111320 /nfs/dbraw/zinc/11/13/20/600111320.db2.gz YUDPPOOHDFCCCD-UHFFFAOYSA-N -1 0 328.393 3.654 20 0 EHADRM CN(C)c1ccc([C@H]2C[C@@H]2c2nc(-c3ccc(C(=O)[O-])cc3)no2)cc1 ZINC000737377324 600114535 /nfs/dbraw/zinc/11/45/35/600114535.db2.gz LGPJBETZDJZYFX-SJORKVTESA-N -1 0 349.390 3.772 20 0 EHADRM CC(C)(C)c1nc(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)cs1 ZINC000736299166 600115304 /nfs/dbraw/zinc/11/53/04/600115304.db2.gz JLKPUYRZRMESAF-UHFFFAOYSA-N -1 0 329.381 3.856 20 0 EHADRM Cc1cc(NC(=O)N[C@@H]2CCc3ccc(F)cc32)ccc1C(=O)[O-] ZINC000738439502 600116449 /nfs/dbraw/zinc/11/64/49/600116449.db2.gz CTILCWIFVGOMHF-MRXNPFEDSA-N -1 0 328.343 3.641 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Nc1cccc2[nH]ccc21)c1cccs1 ZINC000739627086 600122510 /nfs/dbraw/zinc/12/25/10/600122510.db2.gz FJVSFTMVKPAIHI-ZDUSSCGKSA-N -1 0 329.381 3.567 20 0 EHADRM Cc1cc(NC(=O)c2ccc(SC(F)(F)F)cc2)c(C(=O)[O-])[nH]1 ZINC000322440623 600122974 /nfs/dbraw/zinc/12/29/74/600122974.db2.gz BANYRVYWCIMLSD-UHFFFAOYSA-N -1 0 344.314 3.886 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)C[C@@H](C)c1ccccc1F ZINC000736187278 600123127 /nfs/dbraw/zinc/12/31/27/600123127.db2.gz UPXQSVVMKGCUMZ-LLVKDONJSA-N -1 0 344.338 3.826 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)N2C3CCC2CC3)c1 ZINC000739754225 600124406 /nfs/dbraw/zinc/12/44/06/600124406.db2.gz LSUUMUHSWLOZPE-UHFFFAOYSA-N -1 0 334.441 3.553 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)CCc1ccccc1Cl ZINC000736190400 600125120 /nfs/dbraw/zinc/12/51/20/600125120.db2.gz UGWYYDDIMMILED-UHFFFAOYSA-N -1 0 346.766 3.779 20 0 EHADRM CCn1c(CN(C)Cc2ccc(C(=O)[O-])cc2)nc2cc(F)ccc21 ZINC000581889889 600127876 /nfs/dbraw/zinc/12/78/76/600127876.db2.gz PNMKATHTOVPMNV-UHFFFAOYSA-N -1 0 341.386 3.526 20 0 EHADRM CC[C@@](NC(=O)c1oc2ccccc2c1C)(C(=O)[O-])c1ccccc1 ZINC000485387861 600133057 /nfs/dbraw/zinc/13/30/57/600133057.db2.gz VAHUDHDOVUVNEG-FQEVSTJZSA-N -1 0 337.375 3.861 20 0 EHADRM Cc1ccc(C(=O)CCC(=O)Oc2ccc(C)cc2C(=O)[O-])cc1 ZINC000738501934 600134258 /nfs/dbraw/zinc/13/42/58/600134258.db2.gz AFVDMKFWHQEWRV-UHFFFAOYSA-N -1 0 326.348 3.570 20 0 EHADRM O=C([O-])[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000262693712 600141288 /nfs/dbraw/zinc/14/12/88/600141288.db2.gz WUEYQVUMWJUTGC-SCRDCRAPSA-N -1 0 342.222 3.563 20 0 EHADRM CC(C)Sc1ccc(C(=O)OCC(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000736499300 600141930 /nfs/dbraw/zinc/14/19/30/600141930.db2.gz BUSZXPUMDBYDHZ-UHFFFAOYSA-N -1 0 348.376 3.518 20 0 EHADRM COc1ccccc1C[C@H](C)CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000237252300 600142533 /nfs/dbraw/zinc/14/25/33/600142533.db2.gz LHOOCYHCGOCWBK-ZDUSSCGKSA-N -1 0 327.380 3.601 20 0 EHADRM CCC[C@](C)(NC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000736954266 600143917 /nfs/dbraw/zinc/14/39/17/600143917.db2.gz JIENDCDELKKCNV-QFYYESIMSA-N -1 0 346.254 3.932 20 0 EHADRM Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(N(C)C)cc2)ccc1C(=O)[O-] ZINC000738421974 600148183 /nfs/dbraw/zinc/14/81/83/600148183.db2.gz ISNQRRWNYKZQQN-MSOLQXFVSA-N -1 0 338.407 3.501 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000236964750 600151512 /nfs/dbraw/zinc/15/15/12/600151512.db2.gz YJQMALNNVSJIOQ-MBGOOHRESA-N -1 0 344.238 3.712 20 0 EHADRM Cc1c2ccccc2oc1C(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC000486377255 600154598 /nfs/dbraw/zinc/15/45/98/600154598.db2.gz KGXFSSLRKYSGBB-INIZCTEOSA-N -1 0 337.375 3.648 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)C[C@H](C)c2ccccc2F)C(=O)[O-])cc1 ZINC000486390487 600156602 /nfs/dbraw/zinc/15/66/02/600156602.db2.gz UPWZIVJJNWIXAL-WMLDXEAASA-N -1 0 343.398 3.612 20 0 EHADRM CC[C@@H](C)c1ccccc1OS(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000736890841 600163280 /nfs/dbraw/zinc/16/32/80/600163280.db2.gz ILWOCCDNUCIVDH-CYBMUJFWSA-N -1 0 348.420 3.807 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc3ccccc3c(Cl)n2)c(F)c1 ZINC000326087051 600166465 /nfs/dbraw/zinc/16/64/65/600166465.db2.gz RDEGXQYGAZEZNX-UHFFFAOYSA-N -1 0 344.729 3.978 20 0 EHADRM Cc1ccc([C@@H](CNc2ccnc(-c3ccccc3)n2)C(=O)[O-])cc1 ZINC000738569061 600167746 /nfs/dbraw/zinc/16/77/46/600167746.db2.gz QAEXPBLKEKQNMD-QGZVFWFLSA-N -1 0 333.391 3.732 20 0 EHADRM Cc1cc(OCC(=O)Nc2ccc(C(=O)[O-])cc2F)ccc1Cl ZINC000321347802 600167981 /nfs/dbraw/zinc/16/79/81/600167981.db2.gz JJCXJDTYSGWDOQ-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(OCC3CC3)cc2)c(F)c1 ZINC000479484037 600168630 /nfs/dbraw/zinc/16/86/30/600168630.db2.gz GXFXXGWCOCCIRU-UHFFFAOYSA-N -1 0 329.327 3.565 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1sccc1C1CC1 ZINC000737876486 600169206 /nfs/dbraw/zinc/16/92/06/600169206.db2.gz ARNLNRDEMDSMDA-CLTKARDFSA-N -1 0 344.388 3.951 20 0 EHADRM Cc1ccc([C@H](CNC(=O)Nc2ccccc2Cl)C(=O)[O-])cc1 ZINC000738560976 600172398 /nfs/dbraw/zinc/17/23/98/600172398.db2.gz NILUYVAQDPSZEK-ZDUSSCGKSA-N -1 0 332.787 3.638 20 0 EHADRM Cc1ccc([C@H](CNC(=O)Nc2cccc3cccnc32)C(=O)[O-])cc1 ZINC000738562263 600172486 /nfs/dbraw/zinc/17/24/86/600172486.db2.gz UEKYHAGBBUJQCC-INIZCTEOSA-N -1 0 349.390 3.533 20 0 EHADRM Cc1oc(CN(C)C(=O)N[C@H](C)c2cc(C)cc(C)c2)cc1C(=O)[O-] ZINC000738363938 600173356 /nfs/dbraw/zinc/17/33/56/600173356.db2.gz PCJGMUVJKGLUAW-CYBMUJFWSA-N -1 0 344.411 3.806 20 0 EHADRM CSc1ccsc1C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000738211308 600174955 /nfs/dbraw/zinc/17/49/55/600174955.db2.gz VANSBJRXYRSJBW-UHFFFAOYSA-N -1 0 326.370 3.664 20 0 EHADRM CC(C)c1ccc(-c2ncc(COC(=O)[C@@H]3C[C@@H]3C(=O)[O-])s2)cc1 ZINC000736515201 600175957 /nfs/dbraw/zinc/17/59/57/600175957.db2.gz HUSSHXVNKMDRLV-LSDHHAIUSA-N -1 0 345.420 3.697 20 0 EHADRM CSc1ccc(NC(=O)NC[C@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000738212510 600176553 /nfs/dbraw/zinc/17/65/53/600176553.db2.gz LVUWUAVNDASNBL-INIZCTEOSA-N -1 0 344.436 3.707 20 0 EHADRM CCN(C(=O)CCOc1cccc(C)c1)c1ccccc1C(=O)[O-] ZINC000737052816 600178774 /nfs/dbraw/zinc/17/87/74/600178774.db2.gz IVSQALUHJRKUGH-UHFFFAOYSA-N -1 0 327.380 3.515 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000736764490 600179548 /nfs/dbraw/zinc/17/95/48/600179548.db2.gz WZLVRPINHHTMHI-WFASDCNBSA-N -1 0 342.370 3.934 20 0 EHADRM Cc1ccc(NC(=S)N2C[C@@H](C(=O)[O-])c3ccccc32)cc1C ZINC000738628397 600188942 /nfs/dbraw/zinc/18/89/42/600188942.db2.gz QTCXSAKIXGXFCB-OAHLLOKOSA-N -1 0 326.421 3.689 20 0 EHADRM CCCCC[C@@H](NC(=O)N1CCC(CC(=O)[O-])CC1)C(C)(C)C ZINC000736985738 600189771 /nfs/dbraw/zinc/18/97/71/600189771.db2.gz ZRDJLWLFWZIDBS-OAHLLOKOSA-N -1 0 326.481 3.878 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000539603186 600191874 /nfs/dbraw/zinc/19/18/74/600191874.db2.gz CBOCKODKPYPIFU-NSHDSACASA-N -1 0 333.384 3.891 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000247208347 600194152 /nfs/dbraw/zinc/19/41/52/600194152.db2.gz VOFCPXUVWCQRAL-JLSDUUJJSA-N -1 0 338.407 3.540 20 0 EHADRM CCCN(C(=O)CCSCC(=O)[O-])c1cccc2ccccc21 ZINC000737008137 600195829 /nfs/dbraw/zinc/19/58/29/600195829.db2.gz CVKJCMISNJOLJO-UHFFFAOYSA-N -1 0 331.437 3.791 20 0 EHADRM Cc1nc(Nc2ccc(N(C)C(=O)[O-])cc2)cc(-c2cccnc2)n1 ZINC000738865586 600197759 /nfs/dbraw/zinc/19/77/59/600197759.db2.gz XIJIZVUIJOVSGD-UHFFFAOYSA-N -1 0 335.367 3.705 20 0 EHADRM Cc1ccc(Cl)c(OCC(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC000321348875 600199813 /nfs/dbraw/zinc/19/98/13/600199813.db2.gz JPUKOKJLMYWGSH-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM O=C([O-])c1ccc(Oc2ncc([N+](=O)[O-])cc2Cl)c(Cl)c1 ZINC000230902345 600205119 /nfs/dbraw/zinc/20/51/19/600205119.db2.gz LCKMVPYHZQBYJY-UHFFFAOYSA-N -1 0 329.095 3.787 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(NCCNc3ccccc3)c12 ZINC000738364437 600206045 /nfs/dbraw/zinc/20/60/45/600206045.db2.gz UMTMFYFHVXAIAI-UHFFFAOYSA-N -1 0 342.424 3.530 20 0 EHADRM CSCCCCNc1nc(C)nc2sc(C(=O)[O-])c(C)c21 ZINC000563622562 600206349 /nfs/dbraw/zinc/20/63/49/600206349.db2.gz DVFMXQMPVMOQJE-UHFFFAOYSA-N -1 0 325.459 3.561 20 0 EHADRM Cc1cccc(C)c1NC(=O)CNc1cc(Cl)cc(C(=O)[O-])c1 ZINC000738695474 600207168 /nfs/dbraw/zinc/20/71/68/600207168.db2.gz NGVZNWGFVQAYBB-UHFFFAOYSA-N -1 0 332.787 3.706 20 0 EHADRM Cc1cccc(NC(=O)CNc2cc(Cl)cc(C(=O)[O-])c2)c1C ZINC000738735817 600207185 /nfs/dbraw/zinc/20/71/85/600207185.db2.gz SSGKFHTVPSCJGZ-UHFFFAOYSA-N -1 0 332.787 3.706 20 0 EHADRM CN(Cc1csc(-c2ccco2)n1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737496835 600216037 /nfs/dbraw/zinc/21/60/37/600216037.db2.gz KRZHXUMOIBGTAU-OAHLLOKOSA-N -1 0 328.393 3.661 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)c2ccccc21 ZINC000192943607 600218180 /nfs/dbraw/zinc/21/81/80/600218180.db2.gz BEJXCXMEJNLCIL-CYBMUJFWSA-N -1 0 341.750 3.915 20 0 EHADRM CC(C)c1ccccc1NC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000325130297 600224955 /nfs/dbraw/zinc/22/49/55/600224955.db2.gz JPPZVKSCBLDOEO-UHFFFAOYSA-N -1 0 328.368 3.917 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc(SC(F)F)cc2)c2ccccc21 ZINC000192947625 600225610 /nfs/dbraw/zinc/22/56/10/600225610.db2.gz AKYXVYQOTUFWEM-CYBMUJFWSA-N -1 0 349.358 3.830 20 0 EHADRM Cc1cc(NC(=O)Nc2cccc(NC(=O)[O-])c2)ccc1N(C)C ZINC000738444784 600226765 /nfs/dbraw/zinc/22/67/65/600226765.db2.gz XKVTZGKYCBQEGI-UHFFFAOYSA-N -1 0 328.372 3.795 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CC2)c2ccccc21 ZINC000391680169 600227444 /nfs/dbraw/zinc/22/74/44/600227444.db2.gz VTFHBGVFCHWHST-OAHLLOKOSA-N -1 0 341.794 3.587 20 0 EHADRM CN(CCc1ccc(Cl)cc1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000737448358 600230954 /nfs/dbraw/zinc/23/09/54/600230954.db2.gz LTFREGMTOLKIPH-UHFFFAOYSA-N -1 0 346.814 3.674 20 0 EHADRM C[C@H](CC(=O)OCc1ccc(F)cc1C(=O)[O-])c1cccc(F)c1 ZINC000736557656 600237669 /nfs/dbraw/zinc/23/76/69/600237669.db2.gz WRQBIXBSKDBRPC-LLVKDONJSA-N -1 0 334.318 3.900 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)/C=C/c1ccc(Cl)s1 ZINC000738083339 600248189 /nfs/dbraw/zinc/24/81/89/600248189.db2.gz ABRBZTOMUIZYIM-SOFGYWHQSA-N -1 0 338.768 3.727 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)COc1cccc(C(C)C)c1 ZINC000738086537 600249631 /nfs/dbraw/zinc/24/96/31/600249631.db2.gz ZMKQYXFKEZENGL-UHFFFAOYSA-N -1 0 344.363 3.501 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)/C=C\c1ccccc1Cl ZINC000738085259 600251142 /nfs/dbraw/zinc/25/11/42/600251142.db2.gz LWMGLJHXOSXZGP-KTKRTIGZSA-N -1 0 332.739 3.666 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)CCc2cc(Cl)cs2)cc1 ZINC000238027822 600251508 /nfs/dbraw/zinc/25/15/08/600251508.db2.gz BCJPTUWTPUAVPC-UHFFFAOYSA-N -1 0 337.828 3.990 20 0 EHADRM CN(C(=O)CCc1cc(Cl)cs1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737320202 600251937 /nfs/dbraw/zinc/25/19/37/600251937.db2.gz XCSKAPGGOGDLRJ-HNNXBMFYSA-N -1 0 337.828 3.618 20 0 EHADRM Cc1cc(NC(=O)CCSc2ccccc2Cl)c(C(=O)[O-])[nH]1 ZINC000317688952 600252608 /nfs/dbraw/zinc/25/26/08/600252608.db2.gz FOESXUPCXYEUJS-UHFFFAOYSA-N -1 0 338.816 3.796 20 0 EHADRM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccccc1NC(=O)[O-] ZINC000736759349 600259168 /nfs/dbraw/zinc/25/91/68/600259168.db2.gz IRKWDHHYGXGJDW-OCCSQVGLSA-N -1 0 342.370 3.934 20 0 EHADRM O=C([O-])c1sc(N2CC[C@@H](Cc3ccc(F)cc3)C2)nc1Cl ZINC000740279031 600260607 /nfs/dbraw/zinc/26/06/07/600260607.db2.gz MVDQEYLZRJMFCJ-JTQLQIEISA-N -1 0 340.807 3.703 20 0 EHADRM O=C([O-])[C@H]1CC12CCN(C(=O)CCCCCc1cccs1)CC2 ZINC000262488352 600268341 /nfs/dbraw/zinc/26/83/41/600268341.db2.gz VWOQRTACWMKLKV-OAHLLOKOSA-N -1 0 335.469 3.564 20 0 EHADRM Cc1ccc(N2CCCC2)c(C(=O)OCc2ccc(C(=O)[O-])cc2)c1 ZINC000738615210 600268413 /nfs/dbraw/zinc/26/84/13/600268413.db2.gz LRPOHHOACALLBV-UHFFFAOYSA-N -1 0 339.391 3.650 20 0 EHADRM C[C@@H](CCC(C)(C)C)NC(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000736564031 600276995 /nfs/dbraw/zinc/27/69/95/600276995.db2.gz VDEGKXCQITUOFB-ZDUSSCGKSA-N -1 0 336.432 3.876 20 0 EHADRM CC(C)(NC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1cccc(F)c1 ZINC000736324943 600278312 /nfs/dbraw/zinc/27/83/12/600278312.db2.gz RYZQVZGZGGTPAU-UHFFFAOYSA-N -1 0 344.386 3.900 20 0 EHADRM CN(Cc1ccc(NC(=S)Nc2ccc(F)cc2)cc1)C(=O)[O-] ZINC000737485736 600279211 /nfs/dbraw/zinc/27/92/11/600279211.db2.gz DHBCKRIQUZTONE-UHFFFAOYSA-N -1 0 333.388 3.744 20 0 EHADRM C[C@@H](Cc1cccs1)NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000317165427 600281868 /nfs/dbraw/zinc/28/18/68/600281868.db2.gz HRTVNAKYLFPZNV-VIFPVBQESA-N -1 0 338.816 3.852 20 0 EHADRM CCO[C@H](C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)c1ccccc1 ZINC000737155686 600282196 /nfs/dbraw/zinc/28/21/96/600282196.db2.gz AOYLOWRWDBKFRV-KRWDZBQOSA-N -1 0 342.395 3.513 20 0 EHADRM Cc1cccc(O[C@H](C)C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)c1 ZINC000738734155 600284040 /nfs/dbraw/zinc/28/40/40/600284040.db2.gz JIZMOSBHULKETI-CQSZACIVSA-N -1 0 342.395 3.511 20 0 EHADRM Cc1noc(C)c1[C@H](C)NC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000322600663 600286427 /nfs/dbraw/zinc/28/64/27/600286427.db2.gz MAUDUVBUVOOSKO-ZETCQYMHSA-N -1 0 337.763 3.526 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)cc1 ZINC000739984562 600290065 /nfs/dbraw/zinc/29/00/65/600290065.db2.gz HBFPSFNTNYXCMX-HZPDHXFCSA-N -1 0 344.798 3.850 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)cc1 ZINC000739984558 600290071 /nfs/dbraw/zinc/29/00/71/600290071.db2.gz HBFPSFNTNYXCMX-CVEARBPZSA-N -1 0 344.798 3.850 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)NCCCCCC(=O)[O-] ZINC000414607253 600292960 /nfs/dbraw/zinc/29/29/60/600292960.db2.gz GTMVUFHBRWJOID-ZDUSSCGKSA-N -1 0 340.851 3.557 20 0 EHADRM Cc1[nH]c2ccc(C(=O)Nc3ccc(CNC(=O)[O-])cc3)cc2c1C ZINC000738247252 600307624 /nfs/dbraw/zinc/30/76/24/600307624.db2.gz YELQLBDZTIPHRJ-UHFFFAOYSA-N -1 0 337.379 3.805 20 0 EHADRM O=C([O-])NCc1ccc(Nc2ncnc3sc4c(c32)CCC4)cc1 ZINC000740001959 600314608 /nfs/dbraw/zinc/31/46/08/600314608.db2.gz UGKVSKXQTRFVSJ-UHFFFAOYSA-N -1 0 340.408 3.691 20 0 EHADRM CC1(C)CN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)CCCO1 ZINC000736735344 600320106 /nfs/dbraw/zinc/32/01/06/600320106.db2.gz HKKMSXGEFGWUKH-UHFFFAOYSA-N -1 0 346.452 3.509 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000739513177 600323159 /nfs/dbraw/zinc/32/31/59/600323159.db2.gz RHXDJOQYXSKYFE-OWCLPIDISA-N -1 0 348.757 3.952 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@H]1C[C@H]1c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000739513171 600323198 /nfs/dbraw/zinc/32/31/98/600323198.db2.gz RHXDJOQYXSKYFE-HRCADAONSA-N -1 0 348.757 3.952 20 0 EHADRM O=C([O-])[C@@H](OC(=O)Cc1ccccc1Cl)c1cccc(Cl)c1 ZINC000739344508 600324693 /nfs/dbraw/zinc/32/46/93/600324693.db2.gz ADDZGSQFZIXFJI-HNNXBMFYSA-N -1 0 339.174 3.905 20 0 EHADRM C[C@H](OCc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000736701469 600325182 /nfs/dbraw/zinc/32/51/82/600325182.db2.gz VNFDTAGFCGNOGD-LRDDRELGSA-N -1 0 348.782 3.614 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccc2cc[nH]c2c1)c1cccc(Cl)c1 ZINC000740299730 600325937 /nfs/dbraw/zinc/32/59/37/600325937.db2.gz RAYWIJUVGPQTCW-OAHLLOKOSA-N -1 0 329.739 3.804 20 0 EHADRM CN(Cc1ccc(NCc2cnc(-c3ccccc3)nc2)cc1)C(=O)[O-] ZINC000737485858 600328905 /nfs/dbraw/zinc/32/89/05/600328905.db2.gz IVFHXBSLUXQHKN-UHFFFAOYSA-N -1 0 348.406 3.866 20 0 EHADRM Cc1oc(CN2[C@H](C)CO[C@@H](c3ccccc3)[C@@H]2C)cc1C(=O)[O-] ZINC000738981836 600332450 /nfs/dbraw/zinc/33/24/50/600332450.db2.gz ZSOJAWZVODFEOL-FHSNZYRGSA-N -1 0 329.396 3.637 20 0 EHADRM CCCCOc1ccccc1NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736999481 600336300 /nfs/dbraw/zinc/33/63/00/600336300.db2.gz DBANYDSZOIKUSG-AWEZNQCLSA-N -1 0 346.427 3.584 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000405372437 600337074 /nfs/dbraw/zinc/33/70/74/600337074.db2.gz AOYYEDHZQAKGNN-BBRMVZONSA-N -1 0 346.427 3.583 20 0 EHADRM CC(C)CCc1ccccc1NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736436115 600337381 /nfs/dbraw/zinc/33/73/81/600337381.db2.gz QOLLKPNXTUSPJA-MRXNPFEDSA-N -1 0 344.455 3.994 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NC[C@H]2CCc3ccccc3C2)cc1 ZINC000738666239 600337480 /nfs/dbraw/zinc/33/74/80/600337480.db2.gz VBEIMTYVPSFRHC-ZDUSSCGKSA-N -1 0 339.395 3.703 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N[C@H](C)C1CCCC1 ZINC000736487687 600337508 /nfs/dbraw/zinc/33/75/08/600337508.db2.gz OPLNNOUIQMJSRU-GFCCVEGCSA-N -1 0 334.416 3.872 20 0 EHADRM CC(C)c1ccc([C@@H](C)NC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000736511750 600340763 /nfs/dbraw/zinc/34/07/63/600340763.db2.gz CRFBARFSGXFIFS-PBHICJAKSA-N -1 0 344.455 3.767 20 0 EHADRM CC1CCC(CNC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)CC1 ZINC000736762965 600342378 /nfs/dbraw/zinc/34/23/78/600342378.db2.gz UFDMGNHIETYXTI-UHFFFAOYSA-N -1 0 333.432 3.744 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccccc1 ZINC000736242923 600345571 /nfs/dbraw/zinc/34/55/71/600345571.db2.gz OHKQKHHMDWUTIN-HOTGVXAUSA-N -1 0 344.455 3.670 20 0 EHADRM C[C@H]1CCC[C@@H](CNC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C1 ZINC000736774383 600347211 /nfs/dbraw/zinc/34/72/11/600347211.db2.gz GTTROKPAQLYMIC-DZGCQCFKSA-N -1 0 333.432 3.744 20 0 EHADRM CC(C)c1ccc(CNC(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000736514106 600349990 /nfs/dbraw/zinc/34/99/90/600349990.db2.gz MMVMWJMRHPWQSW-UHFFFAOYSA-N -1 0 341.411 3.899 20 0 EHADRM CCc1nc([C@@H](C)NCc2cc(C)c(OCC(=O)[O-])c(C)c2)cs1 ZINC000737277150 600353754 /nfs/dbraw/zinc/35/37/54/600353754.db2.gz PXFHQDBPZMVUKH-CYBMUJFWSA-N -1 0 348.468 3.637 20 0 EHADRM CCC1CCC(CNC(=O)Nc2ccc(CNC(=O)[O-])cc2)CC1 ZINC000736939104 600356781 /nfs/dbraw/zinc/35/67/81/600356781.db2.gz DBBSJNWROWKUPP-UHFFFAOYSA-N -1 0 333.432 3.792 20 0 EHADRM O=C([O-])Nc1ccc(CCNc2ncnc3cccc(F)c32)cc1 ZINC000740024699 600364584 /nfs/dbraw/zinc/36/45/84/600364584.db2.gz KDHZWYRGPXBNTB-UHFFFAOYSA-N -1 0 326.331 3.513 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000237562709 600378092 /nfs/dbraw/zinc/37/80/92/600378092.db2.gz RHTCDKWGIZMFLR-CYBMUJFWSA-N -1 0 329.371 3.660 20 0 EHADRM O=C([O-])c1cc(NC(=O)N(Cc2ccccc2)C2CC2)ccc1F ZINC000383563675 600381724 /nfs/dbraw/zinc/38/17/24/600381724.db2.gz KQAPOPSOQSDUKC-UHFFFAOYSA-N -1 0 328.343 3.720 20 0 EHADRM CC(C)=C[C@@H]1[C@@H](C(=O)NCCc2ccc(NC(=O)[O-])cc2)C1(C)C ZINC000736344239 600382924 /nfs/dbraw/zinc/38/29/24/600382924.db2.gz XBGQCLGXEOXTBB-CVEARBPZSA-N -1 0 330.428 3.674 20 0 EHADRM CC(=O)c1ccc(-c2ccc(C(=O)NC(C)(C)CCC(=O)[O-])o2)cc1 ZINC000262681410 600385031 /nfs/dbraw/zinc/38/50/31/600385031.db2.gz ZWNDCFIPGPUKFA-UHFFFAOYSA-N -1 0 343.379 3.522 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)/C=C/c1ccc(OC)cc1)c1ccccc1 ZINC000736849216 600385556 /nfs/dbraw/zinc/38/55/56/600385556.db2.gz QCJPXMZQJQSELF-BJRSVTDJSA-N -1 0 339.391 3.605 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@@H](C)Cc1ccccc1)c1ccccc1 ZINC000736850998 600385690 /nfs/dbraw/zinc/38/56/90/600385690.db2.gz ZTAUHKJCMZUCEK-YJBOKZPZSA-N -1 0 325.408 3.762 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)N(c1ccccc1)[C@@H](CC)C(=O)[O-] ZINC000736928467 600386043 /nfs/dbraw/zinc/38/60/43/600386043.db2.gz TVPNLAIHEWCMFW-DLBZAZTESA-N -1 0 333.428 3.621 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)c1sccc1SC)c1ccccc1 ZINC000736850776 600388673 /nfs/dbraw/zinc/38/86/73/600388673.db2.gz KPNMNQBFXMMSOO-LBPRGKRZSA-N -1 0 335.450 3.980 20 0 EHADRM CCOc1cc(C(=O)N(c2ccccc2)[C@H](CC)C(=O)[O-])ccc1C ZINC000737183045 600388813 /nfs/dbraw/zinc/38/88/13/600388813.db2.gz QOBYPBMMLBNPJO-QGZVFWFLSA-N -1 0 341.407 3.904 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)/C=C\c1cccc(F)c1)c1ccccc1 ZINC000736850375 600389489 /nfs/dbraw/zinc/38/94/89/600389489.db2.gz WGIFZIHSHNKYIQ-CPFIRTDXSA-N -1 0 327.355 3.735 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1cccc(Cl)c1Cl ZINC000555725089 600390576 /nfs/dbraw/zinc/39/05/76/600390576.db2.gz LAQPXGSFCRTQFM-MRVPVSSYSA-N -1 0 339.178 3.578 20 0 EHADRM Cc1ncc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)s1 ZINC000178137706 600391100 /nfs/dbraw/zinc/39/11/00/600391100.db2.gz SATHXXIQIRBNES-AWEZNQCLSA-N -1 0 346.452 3.695 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)NC[C@H]2CCc3ccccc32)cc1 ZINC000737333478 600392613 /nfs/dbraw/zinc/39/26/13/600392613.db2.gz VJDIHELDOTZGAK-CQSZACIVSA-N -1 0 339.395 3.652 20 0 EHADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)CC[C@H]2CCCO2)cc1 ZINC000236610133 600392896 /nfs/dbraw/zinc/39/28/96/600392896.db2.gz IYWVICBBYPANSV-SJORKVTESA-N -1 0 347.455 3.575 20 0 EHADRM Cc1ccc([C@H](CNC(=O)CC/C=C\c2ccccc2)C(=O)[O-])cc1 ZINC000486405142 600399712 /nfs/dbraw/zinc/39/97/12/600399712.db2.gz NBQDSCLSGVZSIS-STISFXCESA-N -1 0 337.419 3.773 20 0 EHADRM CC[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000736906415 600412543 /nfs/dbraw/zinc/41/25/43/600412543.db2.gz ZYZYFVGABBIPQN-ROUUACIJSA-N -1 0 331.456 3.795 20 0 EHADRM Cc1cccc(C[C@H](CNC(=O)[C@H](C)CC2CCCC2)C(=O)[O-])c1 ZINC000237365345 600413549 /nfs/dbraw/zinc/41/35/49/600413549.db2.gz GJGIRTBAKODBCC-CRAIPNDOSA-N -1 0 331.456 3.571 20 0 EHADRM O=C([O-])[C@@H](Nc1ccc(OC(F)F)c(F)c1)c1ccc(F)cc1 ZINC000739512100 600426205 /nfs/dbraw/zinc/42/62/05/600426205.db2.gz LVXAAOKPNPXQQA-ZDUSSCGKSA-N -1 0 329.249 3.804 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)c1ncoc1-c1ccccc1 ZINC000740078894 600436394 /nfs/dbraw/zinc/43/63/94/600436394.db2.gz WNWUPKLEWRSIRZ-UHFFFAOYSA-N -1 0 341.294 3.536 20 0 EHADRM O=C([O-])[C@@H](OC(=O)CCc1ccccc1Cl)c1ccc(F)cc1 ZINC000739258838 600445322 /nfs/dbraw/zinc/44/53/22/600445322.db2.gz DSFPYEHQCAOCMJ-INIZCTEOSA-N -1 0 336.746 3.781 20 0 EHADRM O=C([O-])[C@H](OC(=O)/C=C\Sc1ccccc1)c1ccc(F)cc1 ZINC000739215747 600446869 /nfs/dbraw/zinc/44/68/69/600446869.db2.gz LFIBNGPXUNRTOU-BLIJAFNYSA-N -1 0 332.352 3.801 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cccc(-n2cccc2)c1)c1ccc(F)cc1 ZINC000740289914 600448972 /nfs/dbraw/zinc/44/89/72/600448972.db2.gz HMQSPRXUTBDGMU-KRWDZBQOSA-N -1 0 339.322 3.599 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)C(C)C ZINC000738757649 600450216 /nfs/dbraw/zinc/45/02/16/600450216.db2.gz DGXQQGDPANDRTG-LJQANCHMSA-N -1 0 341.407 3.586 20 0 EHADRM Cc1ccc(OCCC(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)c(C)c1 ZINC000738644521 600450557 /nfs/dbraw/zinc/45/05/57/600450557.db2.gz XMEHOYLTOBQMCB-SFHVURJKSA-N -1 0 346.354 3.581 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)CSC(F)(F)F)s1 ZINC000736295110 600450642 /nfs/dbraw/zinc/45/06/42/600450642.db2.gz UFIFNJUMHWVNLQ-UHFFFAOYSA-N -1 0 341.376 3.935 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1ccc(OCC2CC2)cc1)c1ccc(F)cc1 ZINC000740289187 600453344 /nfs/dbraw/zinc/45/33/44/600453344.db2.gz DTNIRNMLWZQINE-QGZVFWFLSA-N -1 0 344.338 3.597 20 0 EHADRM CC[C@@H](CC1CCCCC1)C(=O)OCC(=O)c1cc(C(=O)[O-])co1 ZINC000736904366 600453908 /nfs/dbraw/zinc/45/39/08/600453908.db2.gz KKTIDYGYLHMCGB-ZDUSSCGKSA-N -1 0 336.384 3.700 20 0 EHADRM CC(C)CCC[C@@H](C)NC(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000736426718 600455844 /nfs/dbraw/zinc/45/58/44/600455844.db2.gz NOIVTYWIWKCPGU-CQSZACIVSA-N -1 0 335.448 3.833 20 0 EHADRM O=C(/C=C/c1ccnc2ccccc12)O[C@H](C(=O)[O-])c1ccccc1 ZINC000739214552 600458744 /nfs/dbraw/zinc/45/87/44/600458744.db2.gz FKUXNZMQDIOOIY-VYENPZKTSA-N -1 0 333.343 3.617 20 0 EHADRM CC(C)[C@@H]1CCC[C@H](NC(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000736394914 600462284 /nfs/dbraw/zinc/46/22/84/600462284.db2.gz LEPDSIDYJFMDRE-WBVHZDCISA-N -1 0 347.459 3.833 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CCS[C@H](c3ccccc3)C2)cc1 ZINC000738682678 600462681 /nfs/dbraw/zinc/46/26/81/600462681.db2.gz AZUAHJDQZAGXHQ-INIZCTEOSA-N -1 0 342.420 3.707 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)N[C@H]2CSc3ccccc32)cc1 ZINC000737330714 600463423 /nfs/dbraw/zinc/46/34/23/600463423.db2.gz FLVAQBSOTPVTAO-AWEZNQCLSA-N -1 0 343.408 3.769 20 0 EHADRM O=C([O-])[C@H]1CC12CCN(C(=O)NC(C1CCCC1)C1CCCC1)CC2 ZINC000739523822 600467032 /nfs/dbraw/zinc/46/70/32/600467032.db2.gz DRKXZLDKMYQBEZ-MRXNPFEDSA-N -1 0 348.487 3.632 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)C=C1CCC(C)CC1)C(=O)[O-] ZINC000236655046 600467938 /nfs/dbraw/zinc/46/79/38/600467938.db2.gz GMNRRNYDIKBVQE-LYKKTTPLSA-N -1 0 329.440 3.872 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](NC(=O)NCCCCC(=O)[O-])C(C)C ZINC000666527705 600470465 /nfs/dbraw/zinc/47/04/65/600470465.db2.gz YQNWJWPMYJYBTO-KRWDZBQOSA-N -1 0 346.427 3.992 20 0 EHADRM Cc1ccc([C@@H](C)CNC(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000738553704 600475960 /nfs/dbraw/zinc/47/59/60/600475960.db2.gz YPLKDQMFLDHQQX-LBPRGKRZSA-N -1 0 330.359 3.758 20 0 EHADRM Cc1ncc(/C=C/C(=O)Oc2cc3ccccc3cc2C(=O)[O-])s1 ZINC000738883291 600476875 /nfs/dbraw/zinc/47/68/75/600476875.db2.gz JOTSKXBZDCGKRE-VOTSOKGWSA-N -1 0 339.372 3.922 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)s1 ZINC000321827954 600477780 /nfs/dbraw/zinc/47/77/80/600477780.db2.gz FYXMXXPTUZHLGO-VIFPVBQESA-N -1 0 336.388 3.647 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(N(C)C(=O)[O-])cc1)c1nccs1 ZINC000736913743 600478964 /nfs/dbraw/zinc/47/89/64/600478964.db2.gz GZNCCAYPFNGFPO-LBPRGKRZSA-N -1 0 334.401 3.530 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccc(F)cc1F ZINC000736913906 600479019 /nfs/dbraw/zinc/47/90/19/600479019.db2.gz HVQYKHAGCPJYSK-MRXNPFEDSA-N -1 0 348.349 3.865 20 0 EHADRM Cc1sc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1[N+](=O)[O-] ZINC000237702423 600479240 /nfs/dbraw/zinc/47/92/40/600479240.db2.gz PKIQEMAILKRRAL-UHFFFAOYSA-N -1 0 340.744 3.569 20 0 EHADRM Cc1noc(C(C)C)c1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000263173264 600482958 /nfs/dbraw/zinc/48/29/58/600482958.db2.gz SGQMRXXFPPYPTG-UHFFFAOYSA-N -1 0 346.383 3.602 20 0 EHADRM O=C([O-])CCCOc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000238002073 600483075 /nfs/dbraw/zinc/48/30/75/600483075.db2.gz YHZKXRJVASMHQP-UHFFFAOYSA-N -1 0 347.798 3.765 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)c1nccs1 ZINC000736914565 600483497 /nfs/dbraw/zinc/48/34/97/600483497.db2.gz VTYCBUHSUIBCCL-CYBMUJFWSA-N -1 0 348.428 3.526 20 0 EHADRM Cc1ccc(C[C@H](C)NC(=O)Nc2ccc(CNC(=O)[O-])cc2)s1 ZINC000738589495 600483992 /nfs/dbraw/zinc/48/39/92/600483992.db2.gz OGZGDMFIZABMFA-NSHDSACASA-N -1 0 347.440 3.577 20 0 EHADRM CC[C@@H](C)[C@H]1CCCCN1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000736880325 600487434 /nfs/dbraw/zinc/48/74/34/600487434.db2.gz NXCGHZIYJYYGPU-RHSMWYFYSA-N -1 0 332.444 3.538 20 0 EHADRM C[C@H]1SCCN(C(=O)c2ccc(C(=O)[O-])s2)[C@@H]1c1ccccc1 ZINC000237601914 600487986 /nfs/dbraw/zinc/48/79/86/600487986.db2.gz IVYXCONGMDYAAU-ABAIWWIYSA-N -1 0 347.461 3.765 20 0 EHADRM CC(C)(NC(=O)NCCc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000736324399 600493567 /nfs/dbraw/zinc/49/35/67/600493567.db2.gz MMYBPNTVKPAFLO-UHFFFAOYSA-N -1 0 341.411 3.554 20 0 EHADRM Cc1ccccc1[C@H](CC(C)C)NC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000263224944 600496316 /nfs/dbraw/zinc/49/63/16/600496316.db2.gz LNFQZFWJFHSKLO-WBVHZDCISA-N -1 0 332.444 3.588 20 0 EHADRM Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[O-] ZINC000738757795 600497017 /nfs/dbraw/zinc/49/70/17/600497017.db2.gz DZDTYXFBYUOZIN-IRXDYDNUSA-N -1 0 334.460 3.881 20 0 EHADRM Cc1c(NC(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)cccc1C(=O)[O-] ZINC000738302630 600505861 /nfs/dbraw/zinc/50/58/61/600505861.db2.gz ALCCAXSLBOARGB-BBRMVZONSA-N -1 0 348.443 3.656 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c(O)c1C ZINC000738521241 600506111 /nfs/dbraw/zinc/50/61/11/600506111.db2.gz VIINGPNXDLKJHU-UHFFFAOYSA-N -1 0 343.379 3.505 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)Oc1cc(Cl)ccc1C(=O)[O-] ZINC000736628530 600510929 /nfs/dbraw/zinc/51/09/29/600510929.db2.gz ZCUCODOQTBWJBZ-SNVBAGLBSA-N -1 0 336.746 3.962 20 0 EHADRM CC(C)CO[C@@H]1C[C@@H](OC(=O)c2cccc(NC(=O)[O-])c2)C1(C)C ZINC000736445158 600511703 /nfs/dbraw/zinc/51/17/03/600511703.db2.gz YRVJTZNYAOILNY-HUUCEWRRSA-N -1 0 335.400 3.773 20 0 EHADRM O=C([O-])c1ccc(NC(=O)NCC2Cc3ccccc3C2)cc1Cl ZINC000739413570 600515756 /nfs/dbraw/zinc/51/57/56/600515756.db2.gz DHPKKHUHTCAVDN-UHFFFAOYSA-N -1 0 344.798 3.575 20 0 EHADRM COCc1ccccc1CNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000737835476 600516795 /nfs/dbraw/zinc/51/67/95/600516795.db2.gz YBSUJARGXNAPNT-UHFFFAOYSA-N -1 0 348.786 3.506 20 0 EHADRM C[C@H](OC(=O)[C@@H]1CSc2ccccc21)c1ccc(C(=O)[O-])cc1 ZINC000738228148 600518752 /nfs/dbraw/zinc/51/87/52/600518752.db2.gz NJPGOPRNJMJNFU-XHDPSFHLSA-N -1 0 328.389 3.879 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC000675982976 600520942 /nfs/dbraw/zinc/52/09/42/600520942.db2.gz FHFPNOZVFDKFJX-AWEZNQCLSA-N -1 0 335.787 3.829 20 0 EHADRM O=C([O-])CCCOc1ccc(Nc2ncnc3ccsc32)cc1 ZINC000739687598 600524009 /nfs/dbraw/zinc/52/40/09/600524009.db2.gz SVODWYVBHMLSLW-UHFFFAOYSA-N -1 0 329.381 3.679 20 0 EHADRM CCN(C(=O)CCc1ccc(OC)c(F)c1)c1ccccc1C(=O)[O-] ZINC000737053877 600524347 /nfs/dbraw/zinc/52/43/47/600524347.db2.gz VOPSHRGSPXLBIB-UHFFFAOYSA-N -1 0 345.370 3.518 20 0 EHADRM CCN(C(=O)COc1cccc(C(C)C)c1)c1ccccc1C(=O)[O-] ZINC000737060226 600532573 /nfs/dbraw/zinc/53/25/73/600532573.db2.gz HSISETTVDQGHPF-UHFFFAOYSA-N -1 0 341.407 3.940 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NC/C=C/c1ccccc1)C(=O)[O-] ZINC000181916573 600534813 /nfs/dbraw/zinc/53/48/13/600534813.db2.gz SOZBCPTTYLRXFC-RNVIBTMRSA-N -1 0 341.432 3.695 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1ncc(-c2ccccc2)o1 ZINC000237596928 600551121 /nfs/dbraw/zinc/55/11/21/600551121.db2.gz UWBXXOHYBDFZBY-LBPRGKRZSA-N -1 0 336.347 3.531 20 0 EHADRM CC[C@@H](OC1CCCC1)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000736929093 600551907 /nfs/dbraw/zinc/55/19/07/600551907.db2.gz OHIXQYYBKMZBEX-CQSZACIVSA-N -1 0 325.792 3.715 20 0 EHADRM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000736782222 600552921 /nfs/dbraw/zinc/55/29/21/600552921.db2.gz BXJMFLIXJRZLKI-HZMBPMFUSA-N -1 0 325.792 3.572 20 0 EHADRM O=C([O-])C1CCN(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000262904407 600560710 /nfs/dbraw/zinc/56/07/10/600560710.db2.gz DFBPYGGZNVAOAV-QGZVFWFLSA-N -1 0 348.418 3.563 20 0 EHADRM O=C([O-])c1sc(NCc2ccccc2OCC2CC2)nc1Cl ZINC000740279966 600560832 /nfs/dbraw/zinc/56/08/32/600560832.db2.gz UAZGQPDQLRTNJE-UHFFFAOYSA-N -1 0 338.816 3.896 20 0 EHADRM CN(Cc1nc2ccccc2s1)C(=O)c1ccccc1NC(=O)[O-] ZINC000737495568 600566296 /nfs/dbraw/zinc/56/62/96/600566296.db2.gz GMSOIONEFLXWKG-UHFFFAOYSA-N -1 0 341.392 3.658 20 0 EHADRM C[C@H]1C[C@@H](CC(=O)NCc2cccc(OCC(=O)[O-])c2)CC(C)(C)C1 ZINC000237526480 600574580 /nfs/dbraw/zinc/57/45/80/600574580.db2.gz DXJLJYQAGFOFGT-HOCLYGCPSA-N -1 0 347.455 3.619 20 0 EHADRM Cc1cc(C)c(NC(=O)[C@H](C)S[C@H](C)CC(=O)[O-])c(Cl)c1 ZINC000738227394 600585651 /nfs/dbraw/zinc/58/56/51/600585651.db2.gz YTXSZCZJJSQHTM-MNOVXSKESA-N -1 0 329.849 3.880 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)C(C)(C)c2cccc(F)c2)cc1 ZINC000737329780 600585692 /nfs/dbraw/zinc/58/56/92/600585692.db2.gz OCJYQNHMSASXFX-UHFFFAOYSA-N -1 0 330.359 3.856 20 0 EHADRM CC(C)Cc1ccc([C@@H](C)NC(=O)CS[C@@H](C)CC(=O)[O-])cc1 ZINC000736454245 600589171 /nfs/dbraw/zinc/58/91/71/600589171.db2.gz SJXKQICKHVKIMJ-UONOGXRCSA-N -1 0 337.485 3.659 20 0 EHADRM C[C@@H](CC(=O)[O-])SCC(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000736552413 600590071 /nfs/dbraw/zinc/59/00/71/600590071.db2.gz MVPVMSHHADQDFA-UGSOOPFHSA-N -1 0 335.469 3.631 20 0 EHADRM C[C@H](CC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1)c1cccc(F)c1 ZINC000736544667 600590376 /nfs/dbraw/zinc/59/03/76/600590376.db2.gz IHVOVMJHEVEDMX-ACJLOTCBSA-N -1 0 329.371 3.604 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000738756197 600595101 /nfs/dbraw/zinc/59/51/01/600595101.db2.gz IJSAFFRFIZXENP-BEFAXECRSA-N -1 0 325.408 3.773 20 0 EHADRM CCSCc1ccc(C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000737231195 600598203 /nfs/dbraw/zinc/59/82/03/600598203.db2.gz HNBGUFFSCVGIQO-QGZVFWFLSA-N -1 0 343.448 3.838 20 0 EHADRM O=C([O-])[C@H](Nc1ccc(O[C@H]2CCOC2)cc1)c1cccc(Cl)c1 ZINC000739511681 600599976 /nfs/dbraw/zinc/59/99/76/600599976.db2.gz IZEBYXXDOCSTLH-DLBZAZTESA-N -1 0 347.798 3.746 20 0 EHADRM CCOC(=O)c1c(C)c2ccccc2nc1CSC[C@@H](C)C(=O)[O-] ZINC000737148389 600603162 /nfs/dbraw/zinc/60/31/62/600603162.db2.gz LTHXJBRULNHVQA-LLVKDONJSA-N -1 0 347.436 3.674 20 0 EHADRM C[C@H](CSCCC(=O)Nc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000086109278 600603866 /nfs/dbraw/zinc/60/38/66/600603866.db2.gz QGTAPTMIXHFBNO-MRVPVSSYSA-N -1 0 336.240 3.776 20 0 EHADRM C[C@@H](CC(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-])C1CC1 ZINC000736540938 600604047 /nfs/dbraw/zinc/60/40/47/600604047.db2.gz DUGFJKLCUGQBND-LIRRHRJNSA-N -1 0 339.435 3.636 20 0 EHADRM CC(C)Sc1ccc(C(=O)N(CC(=O)[O-])c2ccccc2)cc1 ZINC000156316120 600604907 /nfs/dbraw/zinc/60/49/07/600604907.db2.gz JGNXETRZARIAFF-UHFFFAOYSA-N -1 0 329.421 3.919 20 0 EHADRM Cc1cccc(C(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])c1 ZINC000237915956 600607448 /nfs/dbraw/zinc/60/74/48/600607448.db2.gz HGKTXUIKFBAOPV-HXUWFJFHSA-N -1 0 347.414 3.822 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)CCc2ccc(C(=O)[O-])cc2)c1C ZINC000237616213 600610964 /nfs/dbraw/zinc/61/09/64/600610964.db2.gz OEXDLXWHVFAFBH-HNNXBMFYSA-N -1 0 325.408 3.812 20 0 EHADRM Cc1ccc2c(Cl)c(C(=O)N[C@](C)(C(=O)[O-])C3CC3)sc2c1 ZINC000738664540 600617064 /nfs/dbraw/zinc/61/70/64/600617064.db2.gz GBBYBLKXRNTKBK-INIZCTEOSA-N -1 0 337.828 3.846 20 0 EHADRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)c1coc2ccccc12 ZINC000348116289 600617170 /nfs/dbraw/zinc/61/71/70/600617170.db2.gz YZQJTQLSVUMILO-UHFFFAOYSA-N -1 0 343.766 3.813 20 0 EHADRM COc1ccc(/C=C\C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000322350935 600620758 /nfs/dbraw/zinc/62/07/58/600620758.db2.gz FHKQCSRHFNFCFW-DAXSKMNVSA-N -1 0 331.755 3.699 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC000325429903 600620956 /nfs/dbraw/zinc/62/09/56/600620956.db2.gz QUUCDJNVKIYBGB-ZZXKWVIFSA-N -1 0 346.726 3.598 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2ccc3ccccc3n2)c1 ZINC000391311796 600623391 /nfs/dbraw/zinc/62/33/91/600623391.db2.gz BSJGYOZJTCFPSC-UHFFFAOYSA-N -1 0 326.739 3.839 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)CCNC(=O)[O-])[C@H]1CCC[C@H](C)C1 ZINC000738759385 600624020 /nfs/dbraw/zinc/62/40/20/600624020.db2.gz WXGRLWHDHYAGFF-DHSIGJKJSA-N -1 0 332.444 3.636 20 0 EHADRM CN(CCc1ccc(Cl)cc1)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000737449195 600624453 /nfs/dbraw/zinc/62/44/53/600624453.db2.gz NPRGBQVCWLVXBQ-UHFFFAOYSA-N -1 0 332.787 3.745 20 0 EHADRM CC[C@](C)(NC(=O)Nc1ccc(C(=O)[O-])c(C)c1)c1nccs1 ZINC000736861358 600625553 /nfs/dbraw/zinc/62/55/53/600625553.db2.gz KWAKPTPKRKQKMA-INIZCTEOSA-N -1 0 333.413 3.597 20 0 EHADRM C[C@H]1CC(NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C[C@H](C)C1 ZINC000736751235 600626460 /nfs/dbraw/zinc/62/64/60/600626460.db2.gz UWWQUHUOHRSXLC-CHWSQXEVSA-N -1 0 333.432 3.743 20 0 EHADRM CC(C)[C@H](C)CNC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000736355615 600626549 /nfs/dbraw/zinc/62/65/49/600626549.db2.gz PXPZVWNLOLSSAL-CYBMUJFWSA-N -1 0 338.473 3.808 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)NC2(c3cccc(F)c3)CC2)c1 ZINC000739465336 600628480 /nfs/dbraw/zinc/62/84/80/600628480.db2.gz VPIHRLGVHLZOME-UHFFFAOYSA-N -1 0 348.761 3.988 20 0 EHADRM Cc1cc(OCc2cc(Cl)c3c(c2)OCCO3)c(C(=O)[O-])s1 ZINC000387321935 600639617 /nfs/dbraw/zinc/63/96/17/600639617.db2.gz SVNQDQLTQVBNHZ-UHFFFAOYSA-N -1 0 340.784 3.758 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)[O-] ZINC000386399338 600645162 /nfs/dbraw/zinc/64/51/62/600645162.db2.gz LMAPXEFCJFUZFQ-LBPRGKRZSA-N -1 0 343.807 3.923 20 0 EHADRM CCN(c1ccc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1)C(C)C ZINC000392215001 600653467 /nfs/dbraw/zinc/65/34/67/600653467.db2.gz GMZPGLDQDOFMMH-GJZGRUSLSA-N -1 0 332.444 3.751 20 0 EHADRM CC(C)[C@@H](Cc1ccccc1)C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000736357840 600657992 /nfs/dbraw/zinc/65/79/92/600657992.db2.gz BVDFPHPYNILAFQ-GOSISDBHSA-N -1 0 326.392 3.734 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000236806153 600659982 /nfs/dbraw/zinc/65/99/82/600659982.db2.gz XGCUNZVMBPTJDJ-RBUKOAKNSA-N -1 0 337.419 3.928 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1csc(-c2ccoc2)n1)c1ccccc1F ZINC000833350226 600665997 /nfs/dbraw/zinc/66/59/97/600665997.db2.gz BWFHMBGEUPFPCG-CYBMUJFWSA-N -1 0 347.323 3.525 20 0 EHADRM CSc1ccsc1C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000832789673 600666067 /nfs/dbraw/zinc/66/60/67/600666067.db2.gz DFHJXCXSZUMWHH-LLVKDONJSA-N -1 0 326.370 3.592 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)c1c(C)cccc1C ZINC000737880149 600677634 /nfs/dbraw/zinc/67/76/34/600677634.db2.gz XCZRTHYCRQSOJO-NTMALXAHSA-N -1 0 326.348 3.629 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC[C@H](O)c1cccc(Cl)c1 ZINC000831977686 600682642 /nfs/dbraw/zinc/68/26/42/600682642.db2.gz UJMJBDVNRAZRRB-LYASGUKUSA-N -1 0 348.782 3.559 20 0 EHADRM CC(C)C[C@H](C(=O)Nc1nc(CC(=O)[O-])cs1)c1ccccc1 ZINC000736401250 600688619 /nfs/dbraw/zinc/68/86/19/600688619.db2.gz FJOROKIBLDJAFK-AWEZNQCLSA-N -1 0 332.425 3.539 20 0 EHADRM CCCN(C(=O)c1cccc(NC(=O)[O-])c1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000737008012 600692721 /nfs/dbraw/zinc/69/27/21/600692721.db2.gz AQINRAOKMQQTMH-HZPDHXFCSA-N -1 0 348.443 3.832 20 0 EHADRM C[C@H](OC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)c1ccc(C(=O)[O-])o1 ZINC000827818277 600695783 /nfs/dbraw/zinc/69/57/83/600695783.db2.gz RMOBMVASSBQNDN-GDPRMGEGSA-N -1 0 336.290 3.664 20 0 EHADRM COc1ccc(Cl)cc1Cc1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000832368097 600697987 /nfs/dbraw/zinc/69/79/87/600697987.db2.gz SHBFWBZCYWRZRL-UHFFFAOYSA-N -1 0 344.754 3.688 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1cc2cccc(F)c2o1)c1ccccc1F ZINC000833352822 600699649 /nfs/dbraw/zinc/69/96/49/600699649.db2.gz ZUGOLRYFETVJDM-OAHLLOKOSA-N -1 0 332.258 3.694 20 0 EHADRM O=C([O-])c1cccc(-c2noc([C@@H]3C[C@@H]3c3ccc(F)c(F)c3)n2)c1 ZINC000833327931 600700867 /nfs/dbraw/zinc/70/08/67/600700867.db2.gz MPUYBRDCXATNQM-CHWSQXEVSA-N -1 0 342.301 3.984 20 0 EHADRM C[C@H](Oc1cccc(F)c1)c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000827896238 600701351 /nfs/dbraw/zinc/70/13/51/600701351.db2.gz QZECBVJSARLWDO-JTQLQIEISA-N -1 0 328.299 3.714 20 0 EHADRM O=C([O-])[C@@H](OC(=O)[C@H]1SCCc2ccccc21)c1ccccc1F ZINC000833168401 600714184 /nfs/dbraw/zinc/71/41/84/600714184.db2.gz AJBQZSNKYFUZIN-HOTGVXAUSA-N -1 0 346.379 3.525 20 0 EHADRM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)NCCCCCC(=O)[O-])C1 ZINC000414609638 600722373 /nfs/dbraw/zinc/72/23/73/600722373.db2.gz MHAKJONECBNJOT-CJNGLKHVSA-N -1 0 336.407 3.563 20 0 EHADRM C/C(=C\C(=O)O[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C)C(C)(C)C ZINC000825723967 600723337 /nfs/dbraw/zinc/72/33/37/600723337.db2.gz FVRIKGAFINFRQZ-SRXBQZRASA-N -1 0 347.411 3.556 20 0 EHADRM C[C@H]1CN(C(=O)NCCCCCCC(=O)[O-])CC[C@H]1c1ccccc1 ZINC000828354217 600724831 /nfs/dbraw/zinc/72/48/31/600724831.db2.gz HFYXTXANOTZIHD-FUHWJXTLSA-N -1 0 346.471 3.857 20 0 EHADRM C/C(=C/CSc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)[O-] ZINC000825792853 600725292 /nfs/dbraw/zinc/72/52/92/600725292.db2.gz JPTRYSSENLIWGF-XFXZXTDPSA-N -1 0 341.392 3.650 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)OCCOC2CCCCCC2)cc1 ZINC000739260097 600732098 /nfs/dbraw/zinc/73/20/98/600732098.db2.gz DDRNIKNRQUSLQV-UHFFFAOYSA-N -1 0 334.412 3.600 20 0 EHADRM O=C([O-])[C@@H](Nc1ccc(OC(F)(F)F)cc1)c1ccccc1F ZINC000833171630 600736202 /nfs/dbraw/zinc/73/62/02/600736202.db2.gz ZMGVAXCKBFVPFR-ZDUSSCGKSA-N -1 0 329.249 3.962 20 0 EHADRM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NCCCCC(=O)[O-])o1 ZINC000666561707 600743767 /nfs/dbraw/zinc/74/37/67/600743767.db2.gz BMECBVXOEXEGEA-ZFWWWQNUSA-N -1 0 336.432 3.580 20 0 EHADRM Cc1nc(C(=O)Oc2c(C(=O)[O-])ccc3ccccc32)c2ccccn12 ZINC000738840825 600768088 /nfs/dbraw/zinc/76/80/88/600768088.db2.gz LGKNCPAISQOHIM-UHFFFAOYSA-N -1 0 346.342 3.713 20 0 EHADRM CCC(CC)(CNC(=O)NCc1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000828815404 600772558 /nfs/dbraw/zinc/77/25/58/600772558.db2.gz REHCHIDDLNWRSS-UHFFFAOYSA-N -1 0 344.411 3.535 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@H]2C[C@@]23CCc2ccccc23)cc1 ZINC000263239402 600775872 /nfs/dbraw/zinc/77/58/72/600775872.db2.gz DQOBTDZPAFWBMV-XMSQKQJNSA-N -1 0 349.430 3.891 20 0 EHADRM CN(C(=O)[C@@H]1C[C@]12CCCc1ccccc12)[C@H](C(=O)[O-])c1ccccc1 ZINC000776620295 600787452 /nfs/dbraw/zinc/78/74/52/600787452.db2.gz KEIAMBGYHYKWPE-IPJJNNNSSA-N -1 0 349.430 3.565 20 0 EHADRM O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)C1CCCCCC1 ZINC000238137844 600794348 /nfs/dbraw/zinc/79/43/48/600794348.db2.gz QJSCISJNFSVPJM-UHFFFAOYSA-N -1 0 339.382 3.739 20 0 EHADRM Cc1ccc(C)c(CC(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000776673618 600799185 /nfs/dbraw/zinc/79/91/85/600799185.db2.gz ODIWFFHNGVVXCQ-KRWDZBQOSA-N -1 0 345.826 3.832 20 0 EHADRM COc1ccc2cc([C@H](C)OC(=O)CCCN(C)C(=O)[O-])ccc2c1 ZINC000832504919 600802742 /nfs/dbraw/zinc/80/27/42/600802742.db2.gz ZHXYRKQDTKWBHT-ZDUSSCGKSA-N -1 0 345.395 3.843 20 0 EHADRM CCc1noc(COc2cc(-c3ccccc3)sc2C(=O)[O-])n1 ZINC000830350296 600803844 /nfs/dbraw/zinc/80/38/44/600803844.db2.gz CZGZAZZCUDHXHB-UHFFFAOYSA-N -1 0 330.365 3.638 20 0 EHADRM O=C([O-])c1ccc(OCCOc2cc(F)ccc2F)c(Cl)c1 ZINC000833322988 600804737 /nfs/dbraw/zinc/80/47/37/600804737.db2.gz YKQSFLQOAIOPGJ-UHFFFAOYSA-N -1 0 328.698 3.774 20 0 EHADRM O=C([O-])c1ccsc1N1CC[C@@H](SCC2CCCCC2)C1=O ZINC000833339001 600806331 /nfs/dbraw/zinc/80/63/31/600806331.db2.gz SDXBXARXBWWGIL-CYBMUJFWSA-N -1 0 339.482 3.865 20 0 EHADRM Cc1ccc2oc(SCc3cn4cccc(C(=O)[O-])c4n3)nc2c1 ZINC000738680885 600818650 /nfs/dbraw/zinc/81/86/50/600818650.db2.gz NRLOEPDWMWSPGZ-UHFFFAOYSA-N -1 0 339.376 3.774 20 0 EHADRM CN(Cc1csc(-c2cccc(C(=O)[O-])c2)n1)C[C@H]1CCCCO1 ZINC000582306179 600819036 /nfs/dbraw/zinc/81/90/36/600819036.db2.gz DTLYRGFMPYMQSH-MRXNPFEDSA-N -1 0 346.452 3.509 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=S)Nc2ccc(F)cc2F)c2ccccc21 ZINC000739652607 600820542 /nfs/dbraw/zinc/82/05/42/600820542.db2.gz CKXGWSMYVNGIIY-JTQLQIEISA-N -1 0 348.374 3.740 20 0 EHADRM Cc1cccc(CS[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)c1 ZINC000832967175 600825030 /nfs/dbraw/zinc/82/50/30/600825030.db2.gz RTJMJJGVHSDMRZ-AWEZNQCLSA-N -1 0 347.461 3.793 20 0 EHADRM O=C([O-])c1c(F)cccc1NCc1ncc(-c2ccccc2F)o1 ZINC000833294648 600826418 /nfs/dbraw/zinc/82/64/18/600826418.db2.gz UEPFQCPKVGGPGM-UHFFFAOYSA-N -1 0 330.290 3.930 20 0 EHADRM CCO[C@@H]1C[C@@H](Nc2nc(Cl)c(C(=O)[O-])s2)C12CCCC2 ZINC000829931577 600826669 /nfs/dbraw/zinc/82/66/69/600826669.db2.gz QBXCFYOJSOTDGG-RKDXNWHRSA-N -1 0 330.837 3.644 20 0 EHADRM O=C([O-])CCN(Cc1ccccc1)C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000675947717 600827418 /nfs/dbraw/zinc/82/74/18/600827418.db2.gz SCOAPRMNULWZJX-MSOLQXFVSA-N -1 0 329.440 3.706 20 0 EHADRM C[C@H]1CCC[C@H](C(=O)Oc2ccc(C(=O)[O-])cc2Br)C1 ZINC000736773214 600829365 /nfs/dbraw/zinc/82/93/65/600829365.db2.gz BHELRMKKLLDUER-ONGXEEELSA-N -1 0 341.201 3.879 20 0 EHADRM Cc1c(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)cccc1C(=O)[O-] ZINC000675965826 600830299 /nfs/dbraw/zinc/83/02/99/600830299.db2.gz BITQYNRZNFAMTM-JSGCOSHPSA-N -1 0 331.318 3.714 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000740078860 600833334 /nfs/dbraw/zinc/83/33/34/600833334.db2.gz UPHBSJINOXFKFA-WDEREUQCSA-N -1 0 335.281 3.544 20 0 EHADRM O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)c1c(F)cccc1F ZINC000325816547 600833456 /nfs/dbraw/zinc/83/34/56/600833456.db2.gz QOIODANUGHRLLS-UHFFFAOYSA-N -1 0 345.223 3.934 20 0 EHADRM Cc1ccc(C)c([C@@H]2CN(Cc3ccoc3C(=O)[O-])[C@@H](C)CO2)c1 ZINC000582186578 600835724 /nfs/dbraw/zinc/83/57/24/600835724.db2.gz GXTFKEHIJVMAOM-YOEHRIQHSA-N -1 0 329.396 3.557 20 0 EHADRM CCO[C@@H](C)c1nc(CN(C)Cc2cccc(C(=O)[O-])c2)cs1 ZINC000263488459 600838942 /nfs/dbraw/zinc/83/89/42/600838942.db2.gz QFBVTEYPKYRDBY-LBPRGKRZSA-N -1 0 334.441 3.571 20 0 EHADRM Cc1ccc(-c2cnc(COc3ccc(C(=O)[O-])cc3C=O)o2)cc1 ZINC000832906989 600839165 /nfs/dbraw/zinc/83/91/65/600839165.db2.gz JBZHNTBMGNRTCN-UHFFFAOYSA-N -1 0 337.331 3.740 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000180014189 600839929 /nfs/dbraw/zinc/83/99/29/600839929.db2.gz UKUIVSHSBKCLDW-SNPRPXQTSA-N -1 0 337.847 3.620 20 0 EHADRM COc1ccccc1[C@H](C)SCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000832595559 600842105 /nfs/dbraw/zinc/84/21/05/600842105.db2.gz MHKDJGIWFXOTDI-LBPRGKRZSA-N -1 0 345.420 3.826 20 0 EHADRM CN(Cc1ccc(NC(=O)[C@H]2C[C@H]2C2CCCCC2)cc1)C(=O)[O-] ZINC000737478634 600843926 /nfs/dbraw/zinc/84/39/26/600843926.db2.gz OAGVRBMIOOOGKM-IRXDYDNUSA-N -1 0 330.428 3.951 20 0 EHADRM O=C([O-])Nc1ccc(CCNC(=O)[C@H]2C[C@H]2C2CCCCC2)cc1 ZINC000740017354 600845046 /nfs/dbraw/zinc/84/50/46/600845046.db2.gz LVDLAEVAZBJFCG-IRXDYDNUSA-N -1 0 330.428 3.652 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)CCc2c[nH]c3ccccc23)c2ccccc21 ZINC000739643606 600848334 /nfs/dbraw/zinc/84/83/34/600848334.db2.gz WBQNFNBDRTZPFZ-HNNXBMFYSA-N -1 0 348.402 3.706 20 0 EHADRM Cc1cc2cc(C(=O)N[C@H](CC(=O)[O-])c3ccccc3)oc2cc1C ZINC000237907130 600850081 /nfs/dbraw/zinc/85/00/81/600850081.db2.gz KRPMGFHZFFUQTH-MRXNPFEDSA-N -1 0 337.375 3.995 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000776630281 600851822 /nfs/dbraw/zinc/85/18/22/600851822.db2.gz FTYLPTMBTFXYHF-GHJWDPDVSA-N -1 0 337.391 3.836 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000736626757 600856868 /nfs/dbraw/zinc/85/68/68/600856868.db2.gz MWCJAGSALCHSSI-UKRRQHHQSA-N -1 0 341.382 3.609 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)c2ccc(-c3cnco3)cc2)c2ccccc21 ZINC000739647442 600862365 /nfs/dbraw/zinc/86/23/65/600862365.db2.gz WHJJKGLMAYVSQU-HNNXBMFYSA-N -1 0 348.358 3.560 20 0 EHADRM O=C([O-])Nc1ccc(OC(=O)c2ccc(OC3CCC3)cc2)cc1 ZINC000833289596 600862605 /nfs/dbraw/zinc/86/26/05/600862605.db2.gz JLKNJJMEZIYRHX-UHFFFAOYSA-N -1 0 327.336 3.927 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)O[C@@H](C(=O)[O-])c3ccccc3)c2c1 ZINC000832958602 600869524 /nfs/dbraw/zinc/86/95/24/600869524.db2.gz BOFNXFWONDIGAD-LJQANCHMSA-N -1 0 337.375 3.778 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1C[C@H](C)CCC[C@H]1C)C(=O)[O-] ZINC000736775859 600870294 /nfs/dbraw/zinc/87/02/94/600870294.db2.gz SYJRGZGEGQXSSB-MCIONIFRSA-N -1 0 335.469 3.903 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)c1cccc(F)c1Cl)C(=O)[O-] ZINC000362527734 600871656 /nfs/dbraw/zinc/87/16/56/600871656.db2.gz FQBNMLWGCJYHCG-GFCCVEGCSA-N -1 0 349.789 3.842 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2nc(-c3ccccc3)cs2)C1 ZINC000201705314 600872011 /nfs/dbraw/zinc/87/20/11/600872011.db2.gz DHKMQISUNGYSBS-CHWSQXEVSA-N -1 0 330.409 3.640 20 0 EHADRM Cc1cc2sc(NC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)nc2c(C)c1 ZINC000832875058 600873439 /nfs/dbraw/zinc/87/34/39/600873439.db2.gz OSVXYWDPMOBSOM-RYUDHWBXSA-N -1 0 332.425 3.743 20 0 EHADRM C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c2ccccc2S1 ZINC000828279260 600878656 /nfs/dbraw/zinc/87/86/56/600878656.db2.gz VQFWIHHQIHQREX-MCIONIFRSA-N -1 0 333.453 3.795 20 0 EHADRM CCc1ccc(-c2ccc(C(=O)NC3CCC(C(=O)[O-])CC3)o2)cc1 ZINC000262683258 600879538 /nfs/dbraw/zinc/87/95/38/600879538.db2.gz XHOMTPMHCJLKLH-UHFFFAOYSA-N -1 0 341.407 3.882 20 0 EHADRM COc1cccc([C@H](C)C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000262267058 600880735 /nfs/dbraw/zinc/88/07/35/600880735.db2.gz ZRLSHYOYRQNJIM-ZDUSSCGKSA-N -1 0 341.407 3.800 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000262205280 600881727 /nfs/dbraw/zinc/88/17/27/600881727.db2.gz KZQCDJSPARMJKH-UHFFFAOYSA-N -1 0 341.407 3.847 20 0 EHADRM CC(C)[C@H](C)[S@](=O)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000826682343 600881910 /nfs/dbraw/zinc/88/19/10/600881910.db2.gz YMWQWJKXKSRLOI-KPWVOAKYSA-N -1 0 337.466 3.802 20 0 EHADRM C[C@H](CC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1cccnc1 ZINC000736548374 600883736 /nfs/dbraw/zinc/88/37/36/600883736.db2.gz LLJNFQIOTRKDDK-CYBMUJFWSA-N -1 0 326.396 3.576 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N[C@@H]1C[C@@H]1C1CCCCC1)C(=O)[O-] ZINC000262390046 600884170 /nfs/dbraw/zinc/88/41/70/600884170.db2.gz KHDLFSVIUPKPKU-APHBMKBZSA-N -1 0 347.480 3.950 20 0 EHADRM Cc1cc(S(=O)(=O)Nc2ccccc2C(C)C)ccc1C(=O)[O-] ZINC000323726308 600885339 /nfs/dbraw/zinc/88/53/39/600885339.db2.gz MDEFPFRJSBJADS-UHFFFAOYSA-N -1 0 333.409 3.617 20 0 EHADRM C[C@H](CCc1ccccc1F)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000827428356 600887848 /nfs/dbraw/zinc/88/78/48/600887848.db2.gz UWSLAADALPFTCS-CYBMUJFWSA-N -1 0 344.386 3.801 20 0 EHADRM C[C@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1)C(F)(F)F ZINC000825994186 600891069 /nfs/dbraw/zinc/89/10/69/600891069.db2.gz CXBQRZOBKBMLGX-ZWNOBZJWSA-N -1 0 345.361 3.815 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(Cl)nc3ccccc32)s1 ZINC000318917499 600900503 /nfs/dbraw/zinc/90/05/03/600900503.db2.gz VKOBOUXJUJKIMT-UHFFFAOYSA-N -1 0 332.768 3.900 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CSc2ccc(Cl)cc2)s1 ZINC000035425108 600901637 /nfs/dbraw/zinc/90/16/37/600901637.db2.gz VQXYFWCXJPUQQZ-UHFFFAOYSA-N -1 0 327.814 3.831 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2cccc(N3CCCCC3)c2)C1 ZINC000833187193 600908550 /nfs/dbraw/zinc/90/85/50/600908550.db2.gz QMEMEJWPWOYBOS-LSDHHAIUSA-N -1 0 330.428 3.506 20 0 EHADRM Cc1[nH]c2c(cc(C)cc2CNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1C ZINC000262578040 600911746 /nfs/dbraw/zinc/91/17/46/600911746.db2.gz PDWCGZAHNVLNCT-HUUCEWRRSA-N -1 0 342.439 3.600 20 0 EHADRM CCCN(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)[C@H](C)c1ccccc1OC ZINC000829453773 600914248 /nfs/dbraw/zinc/91/42/48/600914248.db2.gz YUZFFJCUDKOFES-BZUAXINKSA-N -1 0 347.455 3.886 20 0 EHADRM COc1cccc(N(CC(C)C)C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000832558958 600915515 /nfs/dbraw/zinc/91/55/15/600915515.db2.gz USTQBVIMBSMXQK-LSDHHAIUSA-N -1 0 333.428 3.575 20 0 EHADRM CCc1[nH]c(C(=O)N2CCC(C3CCCC3)CC2)c(C)c1C(=O)[O-] ZINC000830183494 600918427 /nfs/dbraw/zinc/91/84/27/600918427.db2.gz HVAAWSNQCXLIKN-UHFFFAOYSA-N -1 0 332.444 3.626 20 0 EHADRM CCc1[nH]c(C(=O)Nc2ncc(C(C)(C)C)s2)c(C)c1C(=O)[O-] ZINC000830202215 600920587 /nfs/dbraw/zinc/92/05/87/600920587.db2.gz JCYZRCPIAQWVBV-UHFFFAOYSA-N -1 0 335.429 3.590 20 0 EHADRM CC(C)C[C@H](CNC(=O)C1(c2cccc(Cl)c2)CCC1)C(=O)[O-] ZINC000391267863 600921885 /nfs/dbraw/zinc/92/18/85/600921885.db2.gz KLKLFEATKVPYHD-CYBMUJFWSA-N -1 0 337.847 3.625 20 0 EHADRM CCC(CC)(NC(=O)c1sc(-c2cccs2)nc1C)C(=O)[O-] ZINC000316417946 600922001 /nfs/dbraw/zinc/92/20/01/600922001.db2.gz JRXLLDTYHQBMFA-UHFFFAOYSA-N -1 0 338.454 3.553 20 0 EHADRM CC(C)C[C@@H](CNC(=O)C1(c2ccc(F)cc2)CCCC1)C(=O)[O-] ZINC000486279916 600921966 /nfs/dbraw/zinc/92/19/66/600921966.db2.gz CYZWBPFOMYRRLY-AWEZNQCLSA-N -1 0 335.419 3.501 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1)C(=O)[O-] ZINC000486289104 600922795 /nfs/dbraw/zinc/92/27/95/600922795.db2.gz ZUUPZLNJKXFELV-KURKYZTESA-N -1 0 331.456 3.777 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2cccc(SC(F)F)c2)C1 ZINC000179996957 600926066 /nfs/dbraw/zinc/92/60/66/600926066.db2.gz TVNXLMIAFUYCDO-NXEZZACHSA-N -1 0 329.368 3.831 20 0 EHADRM CCC(CC)(NC(=O)c1cc(C)n(C2CCCCC2)c1C)C(=O)[O-] ZINC000342565904 600926449 /nfs/dbraw/zinc/92/64/49/600926449.db2.gz KMQBFJVHXUFICA-UHFFFAOYSA-N -1 0 334.460 3.983 20 0 EHADRM CCC(CC)(CNC(=O)[C@H](CC(C)C)NC(=O)[O-])c1ccccc1 ZINC000828815280 600931311 /nfs/dbraw/zinc/93/13/11/600931311.db2.gz NZAMBBXENIUXKS-INIZCTEOSA-N -1 0 334.460 3.543 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc(Oc3ccccc3)cn2)C1 ZINC000833188233 600931495 /nfs/dbraw/zinc/93/14/95/600931495.db2.gz WZQYBXVKJUOSOX-KGLIPLIRSA-N -1 0 340.379 3.703 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cc(-c3ccco3)on2)cc1 ZINC000336892661 600932802 /nfs/dbraw/zinc/93/28/02/600932802.db2.gz SEGBALQAJOYGKJ-UHFFFAOYSA-N -1 0 340.335 3.549 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)CCC(=O)c2ccccc2)cc1 ZINC000262453419 600933137 /nfs/dbraw/zinc/93/31/37/600933137.db2.gz HMZHSEHAQBFGDC-UHFFFAOYSA-N -1 0 339.391 3.650 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1 ZINC000362785941 600933803 /nfs/dbraw/zinc/93/38/03/600933803.db2.gz QBOWDUYCXSBWMU-UHFFFAOYSA-N -1 0 340.354 3.922 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1csc2ccccc21 ZINC000779429569 600936239 /nfs/dbraw/zinc/93/62/39/600936239.db2.gz PZLNOYAHCJYKQB-YNEHKIRRSA-N -1 0 331.437 3.970 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)[C@@H](C)CCc2ccccc2F)c1 ZINC000832183222 600939093 /nfs/dbraw/zinc/93/90/93/600939093.db2.gz SUBLUPMUUKMFLJ-LBPRGKRZSA-N -1 0 346.354 3.707 20 0 EHADRM O=C([O-])c1ccc2ccccc2c1OC(=O)CCC1CCOCC1 ZINC000833097205 600939371 /nfs/dbraw/zinc/93/93/71/600939371.db2.gz GDVJMLVCSBCHOD-UHFFFAOYSA-N -1 0 328.364 3.650 20 0 EHADRM O=C([O-])CCN(C(=O)CCc1ccccc1Cl)c1cccc(F)c1 ZINC000739710587 600939804 /nfs/dbraw/zinc/93/98/04/600939804.db2.gz FNWFFZDTQDBJHB-UHFFFAOYSA-N -1 0 349.789 3.920 20 0 EHADRM O=C([O-])c1ccc(Cl)cc1OC(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000833317542 600939874 /nfs/dbraw/zinc/93/98/74/600939874.db2.gz URCMVKATZRZAFS-HNAYVOBHSA-N -1 0 342.778 3.848 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000825942213 600946128 /nfs/dbraw/zinc/94/61/28/600946128.db2.gz MQNKRHRKXICEIC-CVEARBPZSA-N -1 0 330.380 3.709 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000833184601 600948546 /nfs/dbraw/zinc/94/85/46/600948546.db2.gz HVQVFHRTZAJZGL-IOASZLSFSA-N -1 0 337.366 3.519 20 0 EHADRM CN(Cc1ccccn1)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000737493514 600952254 /nfs/dbraw/zinc/95/22/54/600952254.db2.gz BUDHEAALXDEMCD-CQSZACIVSA-N -1 0 325.195 3.646 20 0 EHADRM CC(C)C[C@@H](OC(=O)CSCc1cccc(Cl)c1)C(=O)[O-] ZINC000826812825 600955341 /nfs/dbraw/zinc/95/53/41/600955341.db2.gz LXPIFYLYNYPCMA-CYBMUJFWSA-N -1 0 330.833 3.616 20 0 EHADRM Cc1ccc(-c2nc(CC(=O)O[C@H](CC(C)C)C(=O)[O-])cs2)cc1 ZINC000832906981 600958284 /nfs/dbraw/zinc/95/82/84/600958284.db2.gz BPCPJKHETLAMFL-OAHLLOKOSA-N -1 0 347.436 3.704 20 0 EHADRM O=C([O-])C[C@@H]1CN(Cc2csc(-c3ccco3)n2)c2ccccc21 ZINC000325225267 600958705 /nfs/dbraw/zinc/95/87/05/600958705.db2.gz QDRODIBQPJSTFJ-GFCCVEGCSA-N -1 0 340.404 3.982 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)Oc1ccccc1CC(=O)[O-] ZINC000827427695 600959904 /nfs/dbraw/zinc/95/99/04/600959904.db2.gz LLCLWTSYWVQNMH-ZDUSSCGKSA-N -1 0 330.355 3.627 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccsc1C(=O)[O-] ZINC000829009805 600965580 /nfs/dbraw/zinc/96/55/80/600965580.db2.gz QYPRXPPPJPIIEA-MDZLAQPJSA-N -1 0 325.430 3.759 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2cccc(N3CCCCCC3)c2)C1 ZINC000833185242 600967118 /nfs/dbraw/zinc/96/71/18/600967118.db2.gz GEKKBTSXNUBDJJ-HOTGVXAUSA-N -1 0 344.455 3.897 20 0 EHADRM Cc1ccc([C@@H]2CCCCN2Cc2noc(CCCC(=O)[O-])n2)cc1 ZINC000652413714 600968449 /nfs/dbraw/zinc/96/84/49/600968449.db2.gz FQVXJHXUELLZLF-INIZCTEOSA-N -1 0 343.427 3.513 20 0 EHADRM Cc1oc(CSCCC(=O)Nc2ccccc2C)cc1C(=O)[O-] ZINC000832978586 600968736 /nfs/dbraw/zinc/96/87/36/600968736.db2.gz MFJZRBPKCGFQGA-UHFFFAOYSA-N -1 0 333.409 3.857 20 0 EHADRM CCc1cccc(C)c1NC(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000324913963 600994631 /nfs/dbraw/zinc/99/46/31/600994631.db2.gz QKNDZDCJXBMFIF-INIZCTEOSA-N -1 0 326.396 3.547 20 0 EHADRM COc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)c(C)c1 ZINC000737931060 600995337 /nfs/dbraw/zinc/99/53/37/600995337.db2.gz HKEYTULOBYGGGF-UHFFFAOYSA-N -1 0 331.393 3.504 20 0 EHADRM Cc1ccc(Cl)cc1NC(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000320178336 600995462 /nfs/dbraw/zinc/99/54/62/600995462.db2.gz RUXIDJVVFCBDGV-CQSZACIVSA-N -1 0 332.787 3.638 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)[C@H]2CCSc3ccccc32)c1 ZINC000737939719 600995995 /nfs/dbraw/zinc/99/59/95/600995995.db2.gz KSXWGPQKLONISH-ZDUSSCGKSA-N -1 0 344.388 3.578 20 0 EHADRM COc1cc(Cl)c(C)cc1NC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000391288016 600996052 /nfs/dbraw/zinc/99/60/52/600996052.db2.gz PTTHQNPBMMLFRF-NSHDSACASA-N -1 0 342.823 3.525 20 0 EHADRM COc1ccc(C(=O)[O-])c(OC(=O)[C@@H](C)c2cccc(Cl)c2)c1 ZINC000737941029 600996094 /nfs/dbraw/zinc/99/60/94/600996094.db2.gz ZUOXSMFPPRTZAE-JTQLQIEISA-N -1 0 334.755 3.756 20 0 EHADRM Cc1oc(COC(=O)c2ccc(-c3ccccc3)n2C)cc1C(=O)[O-] ZINC000738984702 600998325 /nfs/dbraw/zinc/99/83/25/600998325.db2.gz XMONCKWIJHCASP-UHFFFAOYSA-N -1 0 339.347 3.649 20 0 EHADRM C[C@H](C(=O)N1CCCc2c(C(=O)[O-])cccc21)c1cccc(F)c1 ZINC000736205495 600999351 /nfs/dbraw/zinc/99/93/51/600999351.db2.gz QBDQMNBJSNZTFF-LBPRGKRZSA-N -1 0 327.355 3.607 20 0 EHADRM C[C@H](C(=O)OCc1ccc(C(=O)[O-])o1)c1ccccc1C(F)(F)F ZINC000736226480 601002942 /nfs/dbraw/zinc/00/29/42/601002942.db2.gz JOFRPIAPSALLSW-VIFPVBQESA-N -1 0 342.269 3.844 20 0 EHADRM C[C@H](C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000345778320 601005158 /nfs/dbraw/zinc/00/51/58/601005158.db2.gz MHRLPIFDYHGHKT-MEDUHNTESA-N -1 0 349.789 3.915 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1)Oc1ccc(Cl)cc1 ZINC000827486525 601007451 /nfs/dbraw/zinc/00/74/51/601007451.db2.gz OXDMIOUQDUHXOZ-LLVKDONJSA-N -1 0 348.786 3.627 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)c2cnc3ccsc3c2)ccc1F ZINC000740012305 601009173 /nfs/dbraw/zinc/00/91/73/601009173.db2.gz JZZZJYNDBYDLBW-UHFFFAOYSA-N -1 0 331.328 3.778 20 0 EHADRM CO[C@H](CNC(=O)Nc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000831519028 601009310 /nfs/dbraw/zinc/00/93/10/601009310.db2.gz IGPXAFZHYDKIAS-OAHLLOKOSA-N -1 0 348.786 3.547 20 0 EHADRM Cc1ccc(-c2ocnc2C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000479558582 601009461 /nfs/dbraw/zinc/00/94/61/601009461.db2.gz SCKRKCKRKNTQPE-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM O=C([O-])c1cccc(NC(=O)NCc2ccc(-c3cccnc3)cc2)c1 ZINC000833144555 601009470 /nfs/dbraw/zinc/00/94/70/601009470.db2.gz XVSURTIIPDGNIA-UHFFFAOYSA-N -1 0 347.374 3.769 20 0 EHADRM Cn1c(C(=O)Nc2ccc(C(=O)[O-])cc2F)ccc1-c1ccccc1 ZINC000739012792 601009627 /nfs/dbraw/zinc/00/96/27/601009627.db2.gz PGLKMEINOATBFH-UHFFFAOYSA-N -1 0 338.338 3.782 20 0 EHADRM CCN(C(=O)Nc1cc(C(=O)[O-])ccc1F)[C@H](C)c1cccc(O)c1 ZINC000829596892 601011743 /nfs/dbraw/zinc/01/17/43/601011743.db2.gz DCDIOQRGFUCXBC-LLVKDONJSA-N -1 0 346.358 3.845 20 0 EHADRM CC/C(=C/C(=O)N(CC(=O)[O-])c1cccc(C)n1)c1ccc(C)cc1 ZINC000736833328 601015679 /nfs/dbraw/zinc/01/56/79/601015679.db2.gz BJOHBGJVLGTSCA-VBKFSLOCSA-N -1 0 338.407 3.610 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Oc1ccccc1CC(=O)[O-] ZINC000736762012 601021800 /nfs/dbraw/zinc/02/18/00/601021800.db2.gz KIZSAARQICAJRF-HFTRVMKXSA-N -1 0 348.439 3.697 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)Oc1ccccc1CC(=O)[O-] ZINC000736616870 601021826 /nfs/dbraw/zinc/02/18/26/601021826.db2.gz BPZKAQWOJMGPNF-CYBMUJFWSA-N -1 0 330.405 3.648 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)Oc1ccccc1CC(=O)[O-] ZINC000736616872 601021941 /nfs/dbraw/zinc/02/19/41/601021941.db2.gz BPZKAQWOJMGPNF-ZDUSSCGKSA-N -1 0 330.405 3.648 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Oc1ccccc1CC(=O)[O-] ZINC000736762015 601021951 /nfs/dbraw/zinc/02/19/51/601021951.db2.gz KIZSAARQICAJRF-UWWQBHOKSA-N -1 0 348.439 3.697 20 0 EHADRM C[C@@H](CNC(=O)Nc1cccc(NC(=O)[O-])c1)Cc1cccs1 ZINC000827493196 601022042 /nfs/dbraw/zinc/02/20/42/601022042.db2.gz NXMJVROKXMSJMS-LLVKDONJSA-N -1 0 333.413 3.838 20 0 EHADRM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000828122342 601022940 /nfs/dbraw/zinc/02/29/40/601022940.db2.gz OTZZUGDUEXFKMN-QAPCUYQASA-N -1 0 325.368 3.628 20 0 EHADRM Cc1ccccc1CCC(=O)N(CCC(=O)[O-])c1cccc(F)c1 ZINC000738768562 601026358 /nfs/dbraw/zinc/02/63/58/601026358.db2.gz QGPZVKICVIDJPW-UHFFFAOYSA-N -1 0 329.371 3.575 20 0 EHADRM CC[C@H](C)Oc1ccc(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000828764913 601028786 /nfs/dbraw/zinc/02/87/86/601028786.db2.gz QOZBYRABXLYBBY-UONOGXRCSA-N -1 0 336.432 3.732 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(N(C)C(=O)[O-])cc1)Cc1cccs1 ZINC000827486549 601028905 /nfs/dbraw/zinc/02/89/05/601028905.db2.gz PVIGBWYCCZRIEM-GFCCVEGCSA-N -1 0 347.440 3.863 20 0 EHADRM CN(Cc1ccc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1)C(=O)[O-] ZINC000830835611 601051510 /nfs/dbraw/zinc/05/15/10/601051510.db2.gz IAXFOBJGXHIZRM-YQQAZPJKSA-N -1 0 345.443 3.887 20 0 EHADRM O=C([O-])C1CCN(C(=O)c2ccccc2Sc2ccccc2)CC1 ZINC000238032726 601051817 /nfs/dbraw/zinc/05/18/17/601051817.db2.gz AQEGZZXJNBJADJ-UHFFFAOYSA-N -1 0 341.432 3.775 20 0 EHADRM Cc1cccc(F)c1CNC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000832970279 601055078 /nfs/dbraw/zinc/05/50/78/601055078.db2.gz WMCRFZLAOFIBOA-UHFFFAOYSA-N -1 0 336.750 3.807 20 0 EHADRM Cc1ccc(SCC(=O)O[C@H](C(=O)[O-])c2ccccc2F)c(C)c1 ZINC000832958079 601058620 /nfs/dbraw/zinc/05/86/20/601058620.db2.gz VEKZKHCWDPUZBJ-KRWDZBQOSA-N -1 0 348.395 3.904 20 0 EHADRM CCC(C)(C)CC(=O)N[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000828609743 601063783 /nfs/dbraw/zinc/06/37/83/601063783.db2.gz XCTMGTQNVBIZKD-ZDUSSCGKSA-N -1 0 342.233 3.517 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)c1cc2c(s1)CCCCC2)c1ccccc1 ZINC000325092281 601073750 /nfs/dbraw/zinc/07/37/50/601073750.db2.gz MJARILBVTRECAF-HNNXBMFYSA-N -1 0 343.448 3.615 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1F ZINC000833351675 601078930 /nfs/dbraw/zinc/07/89/30/601078930.db2.gz OYAXWDCJWAABAF-NSHDSACASA-N -1 0 344.125 3.510 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1cc2ccccc2cc1O)c1ccccc1F ZINC000833352191 601079042 /nfs/dbraw/zinc/07/90/42/601079042.db2.gz SRNZWPTYLMDJOG-KRWDZBQOSA-N -1 0 340.306 3.667 20 0 EHADRM CSc1ccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cc1 ZINC000832774608 601079322 /nfs/dbraw/zinc/07/93/22/601079322.db2.gz SCGYHQDBIFCHJZ-DOTOQJQBSA-N -1 0 347.480 3.904 20 0 EHADRM CC(C)Sc1ccccc1C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000262529818 601079537 /nfs/dbraw/zinc/07/95/37/601079537.db2.gz SHRFVEFTGNUBCQ-MRXNPFEDSA-N -1 0 343.448 3.785 20 0 EHADRM CCCCc1ccc(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000324855359 601082802 /nfs/dbraw/zinc/08/28/02/601082802.db2.gz FWBWDLDQDVKIJO-SFHVURJKSA-N -1 0 325.408 3.627 20 0 EHADRM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000262795086 601085338 /nfs/dbraw/zinc/08/53/38/601085338.db2.gz LOEKDDVAKTWBRG-MFKMUULPSA-N -1 0 333.384 3.809 20 0 EHADRM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000262795084 601085536 /nfs/dbraw/zinc/08/55/36/601085536.db2.gz LOEKDDVAKTWBRG-GXFFZTMASA-N -1 0 333.384 3.809 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)c1cccc(C(=O)[O-])n1 ZINC000630296176 601086993 /nfs/dbraw/zinc/08/69/93/601086993.db2.gz YPVPXMGHUSRDQQ-INIZCTEOSA-N -1 0 340.423 3.572 20 0 EHADRM Cc1cc(C(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])sc1C ZINC000832860858 601087100 /nfs/dbraw/zinc/08/71/00/601087100.db2.gz NVUJVWYZEOVLFE-LSDHHAIUSA-N -1 0 335.469 3.861 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)NC2(c3ccccc3)CC2)cc1 ZINC000826118345 601094209 /nfs/dbraw/zinc/09/42/09/601094209.db2.gz GSIUJHXGJWXPSD-UHFFFAOYSA-N -1 0 338.407 3.860 20 0 EHADRM O=C([O-])C1CCC(NC(=O)Nc2cccc(CC(F)(F)F)c2)CC1 ZINC000263004319 601099961 /nfs/dbraw/zinc/09/99/61/601099961.db2.gz GOFHGVLCQLHNNF-UHFFFAOYSA-N -1 0 344.333 3.556 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)Nc2c(F)cc(F)cc2F)c1 ZINC000833290335 601101560 /nfs/dbraw/zinc/10/15/60/601101560.db2.gz ZQQMSRGGOOHLGE-UHFFFAOYSA-N -1 0 325.246 3.838 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC000832993849 601106702 /nfs/dbraw/zinc/10/67/02/601106702.db2.gz HINCPKUUHHYREO-LBPRGKRZSA-N -1 0 337.372 3.697 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])cc2)[C@@H]1c1cccc(F)c1 ZINC000237552501 601107905 /nfs/dbraw/zinc/10/79/05/601107905.db2.gz XXVBDRXZIHLGIB-SJCJKPOMSA-N -1 0 327.355 3.747 20 0 EHADRM O=C([O-])c1cccc(C(=O)OCc2ncc(-c3ccccc3F)o2)c1 ZINC000833328353 601111279 /nfs/dbraw/zinc/11/12/79/601111279.db2.gz GFEXJBHKCLJTDZ-UHFFFAOYSA-N -1 0 341.294 3.536 20 0 EHADRM CCN(C(=O)CCc1ccc(Cl)s1)c1ncc(C(=O)[O-])s1 ZINC000737053118 601111826 /nfs/dbraw/zinc/11/18/26/601111826.db2.gz KZAZGTRHUPPCEM-UHFFFAOYSA-N -1 0 344.845 3.542 20 0 EHADRM O=C([O-])[C@@H](OC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1F ZINC000833349329 601112271 /nfs/dbraw/zinc/11/22/71/601112271.db2.gz BTEWIMBXABMVDG-KWBADKCTSA-N -1 0 348.292 3.863 20 0 EHADRM O=C([O-])c1ccc(COc2ccc(C=Cc3nccc(=O)[nH]3)cc2)cc1 ZINC000740133642 601112471 /nfs/dbraw/zinc/11/24/71/601112471.db2.gz OJYORBHTQWPGAL-BJMVGYQFSA-N -1 0 348.358 3.630 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1Cc2ccccc2[C@H]1C ZINC000832918612 601117570 /nfs/dbraw/zinc/11/75/70/601117570.db2.gz WSBAVLADUVGFHK-KGLIPLIRSA-N -1 0 338.407 3.597 20 0 EHADRM CCN(C(=O)C[C@H](C)c1ccc(F)cc1)c1ncc(C(=O)[O-])s1 ZINC000737053328 601124968 /nfs/dbraw/zinc/12/49/68/601124968.db2.gz RKPNCNYOXNREKB-JTQLQIEISA-N -1 0 336.388 3.527 20 0 EHADRM C[C@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1cccc2ccccc21 ZINC000245942327 601125950 /nfs/dbraw/zinc/12/59/50/601125950.db2.gz KAJAAEKIHQYPJN-NUEKZKHPSA-N -1 0 325.408 3.908 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@@H]2CCCc3[nH]ccc32)cc1Cl ZINC000833153033 601130662 /nfs/dbraw/zinc/13/06/62/601130662.db2.gz IRHFXMYASVLMTJ-CQSZACIVSA-N -1 0 333.775 3.565 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1C[C@@H](C)CC1(C)C ZINC000828368952 601131731 /nfs/dbraw/zinc/13/17/31/601131731.db2.gz IXMKVIRRTVJAJS-LBPRGKRZSA-N -1 0 334.416 3.824 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)cc1 ZINC000833288911 601136152 /nfs/dbraw/zinc/13/61/52/601136152.db2.gz ATVSAFGKAJPREU-UHFFFAOYSA-N -1 0 349.346 3.588 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1ccc(Oc2ccccc2)o1)c1cccs1 ZINC000833126693 601136686 /nfs/dbraw/zinc/13/66/86/601136686.db2.gz PCNWOXOVXSTQNA-HNNXBMFYSA-N -1 0 343.360 3.689 20 0 EHADRM CCc1nc([C@@H](C)NC(=O)Nc2ccc(C)c(C(=O)[O-])c2)cs1 ZINC000830309655 601140404 /nfs/dbraw/zinc/14/04/04/601140404.db2.gz LHJPCNMWWLCRCN-SNVBAGLBSA-N -1 0 333.413 3.595 20 0 EHADRM Cc1ccc(NC(=O)N[C@H]2CSc3ccccc32)cc1C(=O)[O-] ZINC000832945708 601140737 /nfs/dbraw/zinc/14/07/37/601140737.db2.gz XTRXVSQJWGJHIJ-AWEZNQCLSA-N -1 0 328.393 3.662 20 0 EHADRM Cc1ccc(NC(=O)N(C)CCc2ccc(F)cc2)cc1C(=O)[O-] ZINC000832945187 601142439 /nfs/dbraw/zinc/14/24/39/601142439.db2.gz QTTAHBREZASYKZ-UHFFFAOYSA-N -1 0 330.359 3.539 20 0 EHADRM O=C([O-])CN(C(=O)CCc1cc(Cl)cs1)c1cccc(F)c1 ZINC000833244729 601145932 /nfs/dbraw/zinc/14/59/32/601145932.db2.gz LQLROULQKCNLMK-UHFFFAOYSA-N -1 0 341.791 3.591 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2nc3ccc(Cl)cc3s2)C1 ZINC000316080528 601146048 /nfs/dbraw/zinc/14/60/48/601146048.db2.gz QLMSPUASZIGULX-BDAKNGLRSA-N -1 0 338.816 3.779 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N2CCSc3ccc(Cl)cc32)C1 ZINC000833183112 601149713 /nfs/dbraw/zinc/14/97/13/601149713.db2.gz PODZUSLXNYNLDC-QWRGUYRKSA-N -1 0 339.844 3.670 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000832992250 601150888 /nfs/dbraw/zinc/15/08/88/601150888.db2.gz DWDQJWMDWUXLMJ-UHFFFAOYSA-N -1 0 340.310 3.740 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCCc3c(Cl)ccc(F)c32)C1 ZINC000833183973 601155400 /nfs/dbraw/zinc/15/54/00/601155400.db2.gz BSPHUCNQIBPZGP-GHMZBOCLSA-N -1 0 339.794 3.649 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)OCc2cccc(OC(F)(F)F)c2)C1 ZINC000833189281 601160632 /nfs/dbraw/zinc/16/06/32/601160632.db2.gz RBYZYCJTFGCWKF-NEPJUHHUSA-N -1 0 346.301 3.519 20 0 EHADRM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000828310791 601161093 /nfs/dbraw/zinc/16/10/93/601161093.db2.gz OXTADSIDUXPWJP-DIFFPNOSSA-N -1 0 342.370 3.969 20 0 EHADRM Cc1ccccc1CCC(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000237502663 601171823 /nfs/dbraw/zinc/17/18/23/601171823.db2.gz OZHBJFOTGOXVCA-HNAYVOBHSA-N -1 0 325.408 3.506 20 0 EHADRM Cc1oc(-c2ccsc2)nc1COC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833024789 601180641 /nfs/dbraw/zinc/18/06/41/601180641.db2.gz PBXAEKPNJHSEMV-NWDGAFQWSA-N -1 0 349.408 3.646 20 0 EHADRM Cc1c(C(=O)NC2(CC(=O)[O-])CCCCC2)sc2nccc(C)c12 ZINC000663119548 601187211 /nfs/dbraw/zinc/18/72/11/601187211.db2.gz MFJZXCCOXMZFJZ-UHFFFAOYSA-N -1 0 346.452 3.821 20 0 EHADRM CC[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1)Oc1ccccc1F ZINC000828884236 601189682 /nfs/dbraw/zinc/18/96/82/601189682.db2.gz PYILREWDQXUAHM-AWEZNQCLSA-N -1 0 346.358 3.503 20 0 EHADRM CCS[C@H]1CCC[C@H]1NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000388636451 601190602 /nfs/dbraw/zinc/19/06/02/601190602.db2.gz BNFACWLRZOKDNK-OLZOCXBDSA-N -1 0 342.848 3.834 20 0 EHADRM CCS[C@H]1CCC[C@@H](NC(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC000830158167 601192859 /nfs/dbraw/zinc/19/28/59/601192859.db2.gz SCXHZBUPJBEEAT-NEPJUHHUSA-N -1 0 340.420 3.710 20 0 EHADRM O=C([O-])c1sc2ccccc2c1COC(=O)CCn1cccc1 ZINC000833103709 601193992 /nfs/dbraw/zinc/19/39/92/601193992.db2.gz CBBOIWXVINMUOS-UHFFFAOYSA-N -1 0 329.377 3.535 20 0 EHADRM CC(C)=C(C)C(=O)OCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000826641419 601194214 /nfs/dbraw/zinc/19/42/14/601194214.db2.gz BCJBKGYAPSGJRN-UHFFFAOYSA-N -1 0 331.393 3.908 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C/C=C\c1ccc(F)cc1 ZINC000485868899 601196038 /nfs/dbraw/zinc/19/60/38/601196038.db2.gz KUFXEHQMNRCANJ-IHWYPQMZSA-N -1 0 327.355 3.586 20 0 EHADRM CCO[C@H](CCNc1nc(Cl)c(C(=O)[O-])s1)C1CCCC1 ZINC000829917835 601202906 /nfs/dbraw/zinc/20/29/06/601202906.db2.gz JHMDPGANJXFMPO-SNVBAGLBSA-N -1 0 332.853 3.892 20 0 EHADRM Cc1cc(C(=O)COc2ccc(C(=O)[O-])cc2Cl)c(F)cc1F ZINC000832857915 601207451 /nfs/dbraw/zinc/20/74/51/601207451.db2.gz DMHLRRCDPCAMOQ-UHFFFAOYSA-N -1 0 340.709 3.887 20 0 EHADRM C[C@H]1CC[C@H](C)N(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC000828214914 601221334 /nfs/dbraw/zinc/22/13/34/601221334.db2.gz VZTYAJSKKCOOLJ-KBPBESRZSA-N -1 0 345.443 3.637 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Nc1cccc2cccnc21)c1ccccc1 ZINC000826038222 601247044 /nfs/dbraw/zinc/24/70/44/601247044.db2.gz DFSCJQJQHRUGDT-DYVFJYSZSA-N -1 0 349.390 3.818 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)Nc1cccc2cccnc21)c1ccccc1 ZINC000826038224 601247064 /nfs/dbraw/zinc/24/70/64/601247064.db2.gz DFSCJQJQHRUGDT-SUMWQHHRSA-N -1 0 349.390 3.818 20 0 EHADRM O=C([O-])c1cc(C(=O)Nc2cccc(C3SCCS3)c2)ccn1 ZINC000776685148 601247286 /nfs/dbraw/zinc/24/72/86/601247286.db2.gz KHDPPZQXJZHKGR-UHFFFAOYSA-N -1 0 346.433 3.511 20 0 EHADRM CCC1(C(=O)Oc2ccc(C(=O)[O-])cc2Br)CCC1 ZINC000829043873 601253146 /nfs/dbraw/zinc/25/31/46/601253146.db2.gz GVXNWEIMAIMVRL-UHFFFAOYSA-N -1 0 327.174 3.633 20 0 EHADRM Cc1ccsc1[C@@H](Cc1ccccc1)Nc1ccc(C(=O)[O-])nn1 ZINC000832983993 601254260 /nfs/dbraw/zinc/25/42/60/601254260.db2.gz GVXKSTYWHISEPM-OAHLLOKOSA-N -1 0 339.420 3.941 20 0 EHADRM C[C@H](NC(=O)c1cccc(C(=O)[O-])c1)c1ccc(-c2cccnc2)cc1 ZINC000191646549 601270915 /nfs/dbraw/zinc/27/09/15/601270915.db2.gz GSWZDDJXJFAUHM-AWEZNQCLSA-N -1 0 346.386 3.938 20 0 EHADRM O=C([O-])c1ccc(OC(=O)CCC2CCC2)c(Br)c1 ZINC000833096105 601276820 /nfs/dbraw/zinc/27/68/20/601276820.db2.gz AINLMHWBWMQQLN-UHFFFAOYSA-N -1 0 327.174 3.633 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000237252852 601276990 /nfs/dbraw/zinc/27/69/90/601276990.db2.gz BYSNOWYMBJTWDE-UHFFFAOYSA-N -1 0 344.238 3.738 20 0 EHADRM C[C@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1cc(Cl)ccc1Cl ZINC000362500510 601277325 /nfs/dbraw/zinc/27/73/25/601277325.db2.gz SDTMODHWRYOPCV-QMMMGPOBSA-N -1 0 339.178 3.578 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000829014441 601277589 /nfs/dbraw/zinc/27/75/89/601277589.db2.gz HDGVSRSJQONDLF-MRXNPFEDSA-N -1 0 328.368 3.881 20 0 EHADRM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000829015151 601280913 /nfs/dbraw/zinc/28/09/13/601280913.db2.gz ZUWONODSNROMHW-KRWDZBQOSA-N -1 0 342.395 3.905 20 0 EHADRM CN(C(=O)C/C=C\c1ccc(F)cc1)[C@H](C(=O)[O-])c1ccccc1 ZINC000767021693 601287347 /nfs/dbraw/zinc/28/73/47/601287347.db2.gz NVPOJOACPHIWCI-XFHJGTJQSA-N -1 0 327.355 3.513 20 0 EHADRM Cc1ccc(NCc2cc(=O)oc3cc4c(cc23)CCC4)cc1C(=O)[O-] ZINC000832951849 601301954 /nfs/dbraw/zinc/30/19/54/601301954.db2.gz LTLCZXHIGNXTNO-UHFFFAOYSA-N -1 0 349.386 3.900 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Cc1coc2cc(C)c(C)cc12 ZINC000537368889 601304519 /nfs/dbraw/zinc/30/45/19/601304519.db2.gz OXFBRBAELJGWQS-UHFFFAOYSA-N -1 0 331.412 3.742 20 0 EHADRM Cc1cc(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)ccc1F ZINC000738245769 601311153 /nfs/dbraw/zinc/31/11/53/601311153.db2.gz ZIALUGBUDYHHMS-HNNXBMFYSA-N -1 0 334.322 3.611 20 0 EHADRM Cc1c(F)cccc1NC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000832854960 601315727 /nfs/dbraw/zinc/31/57/27/601315727.db2.gz ZGVSIVXEIMFRMG-OAHLLOKOSA-N -1 0 334.322 3.611 20 0 EHADRM Cc1cccc([C@H](NC(=O)c2cccc(C(=O)[O-])n2)C(C)(C)C)c1 ZINC000832964973 601331408 /nfs/dbraw/zinc/33/14/08/601331408.db2.gz NXTDWBJLJLNXEE-INIZCTEOSA-N -1 0 326.396 3.605 20 0 EHADRM CCc1[nH]c(C(=O)O[C@@H](C)c2ncc(C(C)(C)C)o2)c(C)c1C(=O)[O-] ZINC000830201709 601339636 /nfs/dbraw/zinc/33/96/36/601339636.db2.gz CXEOVFYFRBAJBC-JTQLQIEISA-N -1 0 348.399 3.787 20 0 EHADRM CO[C@@H](C)c1nc(COc2ccc(C(=O)[O-])cc2Cl)cs1 ZINC000831499164 601343685 /nfs/dbraw/zinc/34/36/85/601343685.db2.gz CRQBFUQVRNBPQF-QMMMGPOBSA-N -1 0 327.789 3.781 20 0 EHADRM C[C@H](S[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1)C(=O)[O-] ZINC000827902428 601345988 /nfs/dbraw/zinc/34/59/88/601345988.db2.gz KRVRZSQWYZTGIS-IUCAKERBSA-N -1 0 326.805 3.581 20 0 EHADRM O=C([O-])c1cccc(OCc2noc(/C=C/c3cccc(F)c3)n2)c1 ZINC000833331795 601365515 /nfs/dbraw/zinc/36/55/15/601365515.db2.gz DCNDXMROTCNAAS-BQYQJAHWSA-N -1 0 340.310 3.656 20 0 EHADRM CC[C@H](NC(=S)Nc1ccccc1CC(=O)[O-])c1cccs1 ZINC000818143677 601366988 /nfs/dbraw/zinc/36/69/88/601366988.db2.gz LLLZRKAGVAETDY-LBPRGKRZSA-N -1 0 334.466 3.813 20 0 EHADRM O=C([O-])c1ccc(-c2nc(-c3ccc(Br)o3)no2)s1 ZINC000833308455 601370269 /nfs/dbraw/zinc/37/02/69/601370269.db2.gz QALZBBKZOBWTJU-UHFFFAOYSA-N -1 0 341.142 3.519 20 0 EHADRM CC[C@@H](C)Oc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000828758233 601392392 /nfs/dbraw/zinc/39/23/92/601392392.db2.gz IWEGUDOASDERFB-IUODEOHRSA-N -1 0 347.436 3.871 20 0 EHADRM Cc1cc(C)c(NC(=S)NC2(CC(=O)[O-])CCC2)c(Cl)c1 ZINC000832874435 601394068 /nfs/dbraw/zinc/39/40/68/601394068.db2.gz KNEFNCXXKBNXCZ-UHFFFAOYSA-N -1 0 326.849 3.641 20 0 EHADRM COc1ccc(NC(=O)[C@H](C)c2ccc(Cl)s2)c(C(=O)[O-])c1 ZINC000561765015 601399766 /nfs/dbraw/zinc/39/97/66/601399766.db2.gz IBHPJDGRHIIDHZ-MRVPVSSYSA-N -1 0 339.800 3.851 20 0 EHADRM C[C@H](C(=O)N1C[C@H](C(=O)[O-])c2ccccc21)c1ccc(Cl)s1 ZINC000192952681 601404160 /nfs/dbraw/zinc/40/41/60/601404160.db2.gz QIPXZQSPCOMGGI-ONGXEEELSA-N -1 0 335.812 3.720 20 0 EHADRM Cc1cccnc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000262802090 601409665 /nfs/dbraw/zinc/40/96/65/601409665.db2.gz RUGKKBXGRAAZTP-INIZCTEOSA-N -1 0 340.423 3.633 20 0 EHADRM CC[C@@H](NC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)C(C)C ZINC000828951811 601413702 /nfs/dbraw/zinc/41/37/02/601413702.db2.gz SPLVSHWUUSIGTQ-KGLIPLIRSA-N -1 0 326.824 3.590 20 0 EHADRM C/C(=C\COC(=O)c1cccc(OCc2cccs2)c1)C(=O)[O-] ZINC000825780736 601416104 /nfs/dbraw/zinc/41/61/04/601416104.db2.gz HWTAHXBCEXXLJN-KPKJPENVSA-N -1 0 332.377 3.515 20 0 EHADRM CC[C@@H](CNC(=O)c1ccc(NC(=O)[O-])cc1)Oc1cccc(C)c1 ZINC000828883601 601427375 /nfs/dbraw/zinc/42/73/75/601427375.db2.gz ILZQBIDKQWJAGT-INIZCTEOSA-N -1 0 342.395 3.672 20 0 EHADRM C[C@H](CC(=O)NC1(CC(=O)[O-])CCC1)c1cccc(C(F)(F)F)c1 ZINC000262504252 601434770 /nfs/dbraw/zinc/43/47/70/601434770.db2.gz IWOPIMCCXLZLIM-LLVKDONJSA-N -1 0 343.345 3.713 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)Cc2coc3cc(F)ccc23)cc1 ZINC000830514731 601436919 /nfs/dbraw/zinc/43/69/19/601436919.db2.gz WDXNLXWSEBBHAA-UHFFFAOYSA-N -1 0 342.326 3.867 20 0 EHADRM C/C(=C/c1ccc(F)cc1)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000825798459 601445624 /nfs/dbraw/zinc/44/56/24/601445624.db2.gz KIJACIGIMPCAQI-TWGQIWQCSA-N -1 0 335.281 3.844 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000666362100 601445662 /nfs/dbraw/zinc/44/56/62/601445662.db2.gz PYLZGXJRSLKSNC-INIZCTEOSA-N -1 0 327.380 3.798 20 0 EHADRM CN(c1cc(C(=O)[O-])nc2ccc(Br)cc21)C1CCC1 ZINC000830882654 601446016 /nfs/dbraw/zinc/44/60/16/601446016.db2.gz AOOHXYNHTSNSJD-UHFFFAOYSA-N -1 0 335.201 3.684 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)/C(C)=C/c1ccc(F)cc1 ZINC000832524505 601447345 /nfs/dbraw/zinc/44/73/45/601447345.db2.gz ZHHAOWLOYODZSN-ZHACJKMWSA-N -1 0 330.311 3.541 20 0 EHADRM C/C(=C/C(=O)N(CC(=O)[O-])c1cccc(C)n1)c1cccc(Cl)c1 ZINC000825716733 601448518 /nfs/dbraw/zinc/44/85/18/601448518.db2.gz NOMBIKNSPNDSNB-XFXZXTDPSA-N -1 0 344.798 3.565 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)CCCCc1nc2ccccc2s1 ZINC000237091270 601456446 /nfs/dbraw/zinc/45/64/46/601456446.db2.gz JARXYXVECWRQMV-GOSISDBHSA-N -1 0 348.468 3.769 20 0 EHADRM C[C@H](OC(=O)C1(c2ccc(Cl)cc2)CC1)c1ccc(C(=O)[O-])o1 ZINC000827819244 601458113 /nfs/dbraw/zinc/45/81/13/601458113.db2.gz YMKISVGCHMLHEE-JTQLQIEISA-N -1 0 334.755 3.967 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000237126885 601459153 /nfs/dbraw/zinc/45/91/53/601459153.db2.gz NVDFSOPHBUDBNV-OAHLLOKOSA-N -1 0 343.210 3.848 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H](C)c1ccccc1C(F)(F)F ZINC000828617600 601460450 /nfs/dbraw/zinc/46/04/50/601460450.db2.gz GYNYSEDANSTCEV-BONVTDFDSA-N -1 0 331.334 3.569 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000830384410 601462254 /nfs/dbraw/zinc/46/22/54/601462254.db2.gz QNYUQOPUMNRVDP-ONGXEEELSA-N -1 0 348.317 3.952 20 0 EHADRM Cc1cc(C)cc(C2(C(=O)O[C@@H](C)c3ccc(C(=O)[O-])o3)CC2)c1 ZINC000832876816 601463723 /nfs/dbraw/zinc/46/37/23/601463723.db2.gz PECFVPMCUNJIHZ-ZDUSSCGKSA-N -1 0 328.364 3.931 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)c1cnc(C(C)(C)C)s1 ZINC000830395401 601464618 /nfs/dbraw/zinc/46/46/18/601464618.db2.gz ZTNSWFLFEIGEDH-UHFFFAOYSA-N -1 0 337.397 3.651 20 0 EHADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H](C)Oc1cccc(Cl)c1Cl ZINC000237016623 601468109 /nfs/dbraw/zinc/46/81/09/601468109.db2.gz SBKJJJVZNIKITN-PSLIRLAXSA-N -1 0 348.226 3.520 20 0 EHADRM CSc1ccc(C)c(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])c1 ZINC000261906645 601471027 /nfs/dbraw/zinc/47/10/27/601471027.db2.gz PPGFKTKIIAMXMH-KRWDZBQOSA-N -1 0 341.432 3.541 20 0 EHADRM COc1ccc([C@H](C)CC(=O)OCc2ccc(F)cc2C(=O)[O-])cc1 ZINC000832221121 601474483 /nfs/dbraw/zinc/47/44/83/601474483.db2.gz VMCSBMFBBRLNLF-GFCCVEGCSA-N -1 0 346.354 3.770 20 0 EHADRM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1ccc2ccccc2c1 ZINC000326758292 601479061 /nfs/dbraw/zinc/47/90/61/601479061.db2.gz IANSBHPCQLSXFJ-LJQANCHMSA-N -1 0 331.371 3.664 20 0 EHADRM O=C([O-])CCCc1nc(CS[C@@H]2CCc3ccc(F)cc32)no1 ZINC000833230416 601481122 /nfs/dbraw/zinc/48/11/22/601481122.db2.gz MJGFVIHPJKNGEU-CYBMUJFWSA-N -1 0 336.388 3.537 20 0 EHADRM Cc1ccccc1-c1cnc(CN2CCc3ccccc3[C@H]2C(=O)[O-])o1 ZINC000832975739 601547384 /nfs/dbraw/zinc/54/73/84/601547384.db2.gz ZCXCQKZBWDKIDZ-FQEVSTJZSA-N -1 0 348.402 3.834 20 0 EHADRM C[C@H](O)c1cccc(OCCOc2ccc(C(=O)[O-])cc2Cl)c1 ZINC000827804446 601578271 /nfs/dbraw/zinc/57/82/71/601578271.db2.gz YGGVSSDQYGPMSN-NSHDSACASA-N -1 0 336.771 3.549 20 0 EHADRM C[C@@H](CC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1)c1ccccc1 ZINC000539568120 601582519 /nfs/dbraw/zinc/58/25/19/601582519.db2.gz JQISQUOEORYCBT-SJCJKPOMSA-N -1 0 331.799 3.776 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1coc2ccccc12)c1ccc(Cl)cc1 ZINC000345771051 601584969 /nfs/dbraw/zinc/58/49/69/601584969.db2.gz IGMSBYYXEYBMHC-OAHLLOKOSA-N -1 0 329.739 3.642 20 0 EHADRM CSCc1cc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2)ccc1F ZINC000832766760 601590216 /nfs/dbraw/zinc/59/02/16/601590216.db2.gz LTJQFTXUQZVISH-OAHLLOKOSA-N -1 0 334.368 3.671 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)s1)C1CC1 ZINC000346014706 601596433 /nfs/dbraw/zinc/59/64/33/601596433.db2.gz KSPOQZNMJHCYDZ-CQSZACIVSA-N -1 0 335.812 3.662 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)N(Cc2cccs2)CC(F)(F)F)C1 ZINC000833184909 601598071 /nfs/dbraw/zinc/59/80/71/601598071.db2.gz IJWVXILAHVNSBF-QWRGUYRKSA-N -1 0 349.374 3.530 20 0 EHADRM C[C@@H](CSc1ccc(F)cc1)C(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000827582123 601598919 /nfs/dbraw/zinc/59/89/19/601598919.db2.gz YXVAUGPHKOPATD-LBPRGKRZSA-N -1 0 348.395 3.787 20 0 EHADRM Cc1c(C(=O)NCC2(C(=O)[O-])CCCC2)oc2c1c(C)ccc2C ZINC000676023023 601600523 /nfs/dbraw/zinc/60/05/23/601600523.db2.gz FTUUTTWUYKFXFK-UHFFFAOYSA-N -1 0 329.396 3.733 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Nc1ccccc1Cl)c1ccccc1 ZINC000826039050 601603329 /nfs/dbraw/zinc/60/33/29/601603329.db2.gz LGSDJVNHXSUKCN-IAQYHMDHSA-N -1 0 332.787 3.924 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)Nc1nc(C2CC2)cs1)c1ccccc1 ZINC000826038305 601603453 /nfs/dbraw/zinc/60/34/53/601603453.db2.gz FSJGENGJRVUBLO-HZMBPMFUSA-N -1 0 345.424 3.604 20 0 EHADRM O=C([O-])Nc1cc(NCc2noc(-c3cccs3)n2)ccc1F ZINC000833282820 601606513 /nfs/dbraw/zinc/60/65/13/601606513.db2.gz KQFGAAWFEPNECY-UHFFFAOYSA-N -1 0 334.332 3.639 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)CCCc1ccc(F)c(F)c1 ZINC000833025836 601609249 /nfs/dbraw/zinc/60/92/49/601609249.db2.gz SJMGIQJFAFHRGN-UHFFFAOYSA-N -1 0 338.306 3.631 20 0 EHADRM CCCOc1ccc(CCC(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000236798323 601614719 /nfs/dbraw/zinc/61/47/19/601614719.db2.gz YPURSLNMSQYVEG-UHFFFAOYSA-N -1 0 341.407 3.674 20 0 EHADRM Cc1cc(F)ccc1NC(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832889733 601615947 /nfs/dbraw/zinc/61/59/47/601615947.db2.gz PPKPDNILQBBQPO-BLLLJJGKSA-N -1 0 330.359 3.718 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc2cc[nH]c2c1)c1ccc(Cl)cc1 ZINC000345903961 601621337 /nfs/dbraw/zinc/62/13/37/601621337.db2.gz JLWMQZLYZQRABH-INIZCTEOSA-N -1 0 342.782 3.767 20 0 EHADRM C[C@@H](CNC(=O)Nc1cccc(CO[C@H]2CCC[C@@H](C)C2)c1)C(=O)[O-] ZINC000828244804 601622048 /nfs/dbraw/zinc/62/20/48/601622048.db2.gz DCIPWFRMFCBEIT-KEYYUXOJSA-N -1 0 348.443 3.624 20 0 EHADRM CCn1c(SCc2ccc(C(=O)[O-])c(F)c2)nnc1-c1ccco1 ZINC000830415790 601623114 /nfs/dbraw/zinc/62/31/14/601623114.db2.gz BMIPURHCKXIHAB-UHFFFAOYSA-N -1 0 347.371 3.688 20 0 EHADRM O=C([O-])c1ccc(CN2CCO[C@H](c3ccccc3Cl)C2)cc1F ZINC000578552023 601628358 /nfs/dbraw/zinc/62/83/58/601628358.db2.gz YTBQDCIZRWIOKV-KRWDZBQOSA-N -1 0 349.789 3.751 20 0 EHADRM C/C(=C\C(=O)N1CCCC[C@@H]1C(=O)[O-])c1ccccc1C(F)(F)F ZINC000736121832 601630275 /nfs/dbraw/zinc/63/02/75/601630275.db2.gz UWOQPQNRYFZIET-PLSXKVAHSA-N -1 0 341.329 3.574 20 0 EHADRM C[C@H]1CC(=O)c2c1c(F)ccc2OCc1ccc(C(=O)[O-])c(F)c1 ZINC000828148677 601630367 /nfs/dbraw/zinc/63/03/67/601630367.db2.gz CUXODONKXRNOEA-VIFPVBQESA-N -1 0 332.302 3.932 20 0 EHADRM O=C([O-])c1cc(NCc2nnc(-c3ccccc3)o2)ccc1Cl ZINC000833301336 601633016 /nfs/dbraw/zinc/63/30/16/601633016.db2.gz XRMGVQQOWXDHAT-UHFFFAOYSA-N -1 0 329.743 3.700 20 0 EHADRM O=C([O-])c1ccc(COc2cc(Cl)ccc2[N+](=O)[O-])cc1F ZINC000389580312 601633803 /nfs/dbraw/zinc/63/38/03/601633803.db2.gz LJPUJFDJWOWWLO-UHFFFAOYSA-N -1 0 325.679 3.665 20 0 EHADRM COc1ccc(-c2cnc(COc3ccc(C)cc3C(=O)[O-])o2)cc1 ZINC000832124542 601635109 /nfs/dbraw/zinc/63/51/09/601635109.db2.gz ROUVBUPKHCHLNJ-UHFFFAOYSA-N -1 0 339.347 3.936 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COc1ccc(C(=O)N2CCCC2)cc1 ZINC000833031572 601635537 /nfs/dbraw/zinc/63/55/37/601635537.db2.gz OPPLQAJLYVGGPS-UHFFFAOYSA-N -1 0 345.420 3.570 20 0 EHADRM CC(C)C[C@H](C)OCCC(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC000826764638 601650475 /nfs/dbraw/zinc/65/04/75/601650475.db2.gz XWRLQODKSXPKAX-NSHDSACASA-N -1 0 328.792 3.785 20 0 EHADRM Cc1cccc2sc(C(=O)N3CC[C@@](F)(C(=O)[O-])C3)c(Cl)c21 ZINC000776646512 601662479 /nfs/dbraw/zinc/66/24/79/601662479.db2.gz ZTZVBRORRVRZRL-HNNXBMFYSA-N -1 0 341.791 3.502 20 0 EHADRM Cc1sc(C(=O)[O-])cc1Cn1c(=O)cc(C)c2ccc(C)cc21 ZINC000832959273 601674225 /nfs/dbraw/zinc/67/42/25/601674225.db2.gz FILRWQFURDTYBI-UHFFFAOYSA-N -1 0 327.405 3.735 20 0 EHADRM O=C([O-])c1ccc(CSc2ccc(Br)cn2)cc1F ZINC000236483088 601674582 /nfs/dbraw/zinc/67/45/82/601674582.db2.gz OTDOWBGLGVFBLQ-UHFFFAOYSA-N -1 0 342.189 3.974 20 0 EHADRM CC(C)c1cccc(C(C)C)c1NC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000827134276 601684079 /nfs/dbraw/zinc/68/40/79/601684079.db2.gz ONYRAAYZROCLEF-AWEZNQCLSA-N -1 0 348.443 3.641 20 0 EHADRM O=C([O-])c1c(C2CC2)csc1NC(=O)Cc1ccc(F)c(F)c1 ZINC000833118522 601686276 /nfs/dbraw/zinc/68/62/76/601686276.db2.gz OTFIWTJCCUAWLS-UHFFFAOYSA-N -1 0 337.347 3.783 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N2CCc3c2cccc3Cl)cc1 ZINC000238059172 601702243 /nfs/dbraw/zinc/70/22/43/601702243.db2.gz NZNVYZGUOVXTJA-UHFFFAOYSA-N -1 0 329.783 3.560 20 0 EHADRM Cc1cccc2sc(C(=O)NCC(C)(C)C(=O)[O-])c(Cl)c21 ZINC000678983079 601708830 /nfs/dbraw/zinc/70/88/30/601708830.db2.gz OYIYTVDTHBTXKT-UHFFFAOYSA-N -1 0 325.817 3.704 20 0 EHADRM C[C@@]1(c2ccccc2)CCN(C(=O)CCc2ccc(C(=O)[O-])cc2)C1 ZINC000450531334 601717078 /nfs/dbraw/zinc/71/70/78/601717078.db2.gz HVFHLTNVCQCBCS-OAQYLSRUSA-N -1 0 337.419 3.508 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)C(F)(F)c1ccccc1 ZINC000833031709 601722933 /nfs/dbraw/zinc/72/29/33/601722933.db2.gz MZUQDSWOROFYHG-UHFFFAOYSA-N -1 0 326.320 3.590 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1cc(F)c(F)c(F)c1F ZINC000833033702 601723693 /nfs/dbraw/zinc/72/36/93/601723693.db2.gz ZLXWUTNNBBCCIF-UHFFFAOYSA-N -1 0 348.273 3.668 20 0 EHADRM CCO[C@H](C(=O)OCc1cc(C(=O)[O-])sc1C)c1ccccc1 ZINC000829901837 601724790 /nfs/dbraw/zinc/72/47/90/601724790.db2.gz SSPFZPILAWXABQ-HNNXBMFYSA-N -1 0 334.393 3.576 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)N2CC(Cc3ccccc3)C2)c1 ZINC000833297895 601726376 /nfs/dbraw/zinc/72/63/76/601726376.db2.gz NVMWEFWHYQAOMZ-UHFFFAOYSA-N -1 0 344.798 3.745 20 0 EHADRM C[C@@H]1CN(C(=O)c2cccc(NC(=O)[O-])c2)c2ccccc2S1 ZINC000828401912 601726862 /nfs/dbraw/zinc/72/68/62/601726862.db2.gz JYZSSRUMFRIDHO-LLVKDONJSA-N -1 0 328.393 3.918 20 0 EHADRM CC[C@H](Nc1ccccc1)C(=O)OCc1cc(C(=O)[O-])sc1C ZINC000828999144 601728373 /nfs/dbraw/zinc/72/83/73/601728373.db2.gz RPNWDYSWDBODCK-AWEZNQCLSA-N -1 0 333.409 3.689 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000486064260 601730199 /nfs/dbraw/zinc/73/01/99/601730199.db2.gz QPPHXVGKLDEIHJ-UHFFFAOYSA-N -1 0 348.402 3.926 20 0 EHADRM COc1ccc([C@@H](C)CC(=O)OCc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000832220681 601733074 /nfs/dbraw/zinc/73/30/74/601733074.db2.gz CFIBMFGTMDVMPD-LBPRGKRZSA-N -1 0 346.354 3.770 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)c1ccccc1F ZINC000678987235 601735667 /nfs/dbraw/zinc/73/56/67/601735667.db2.gz IZCDSOXDHPFJKD-SQWLQELKSA-N -1 0 347.773 3.525 20 0 EHADRM O=C([O-])CCCc1csc(NC(=O)[C@H]2C[C@H]2C2CCCCC2)n1 ZINC000833228903 601747177 /nfs/dbraw/zinc/74/71/77/601747177.db2.gz HFTRQJDNQULOIE-KBPBESRZSA-N -1 0 336.457 3.705 20 0 EHADRM CC(C)(CNC(=O)Nc1ccccc1SC1CCCC1)C(=O)[O-] ZINC000826589974 601750548 /nfs/dbraw/zinc/75/05/48/601750548.db2.gz ANJKBLRWZLFMRP-UHFFFAOYSA-N -1 0 336.457 3.954 20 0 EHADRM CC[C@H](NC(=O)c1ccc(-c2ccc(F)cc2C)c(F)c1)C(=O)[O-] ZINC000237061413 601752103 /nfs/dbraw/zinc/75/21/03/601752103.db2.gz RVHSMRKQTXMBTC-INIZCTEOSA-N -1 0 333.334 3.533 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2cc(C(=O)[O-])ccc2F)cc1F ZINC000325417003 601778931 /nfs/dbraw/zinc/77/89/31/601778931.db2.gz VGZREWMTMAQLFG-SNVBAGLBSA-N -1 0 334.322 3.854 20 0 EHADRM Cc1cc(F)ccc1CCNC(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000832890409 601785540 /nfs/dbraw/zinc/78/55/40/601785540.db2.gz VPKWABLSKBUSCX-UHFFFAOYSA-N -1 0 345.374 3.613 20 0 EHADRM CC(C)c1nc2ccc(NC(=O)N3C[C@H](C)[C@@H](C(=O)[O-])C3)cc2s1 ZINC000827153621 601789603 /nfs/dbraw/zinc/78/96/03/601789603.db2.gz VESURTHLZOUQKA-JQWIXIFHSA-N -1 0 347.440 3.604 20 0 EHADRM CCCC[C@H](CC)CNC(=S)N1CCC(CCC(=O)[O-])CC1 ZINC000829284669 601793722 /nfs/dbraw/zinc/79/37/22/601793722.db2.gz DQOZCTKWOHWIHY-AWEZNQCLSA-N -1 0 328.522 3.654 20 0 EHADRM CCC1(CC)CCN(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C1 ZINC000829055319 601794268 /nfs/dbraw/zinc/79/42/68/601794268.db2.gz GJQYTOWJUASRAR-UHFFFAOYSA-N -1 0 333.432 3.840 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2cc3cccc(Cl)c3o2)cc1 ZINC000238131762 601799853 /nfs/dbraw/zinc/79/98/53/601799853.db2.gz FKOOEDKXVASBBD-UHFFFAOYSA-N -1 0 329.739 3.714 20 0 EHADRM O=C([O-])COc1cccc(NC(=O)c2cc3cccc(Cl)c3o2)c1 ZINC000833262179 601801989 /nfs/dbraw/zinc/80/19/89/601801989.db2.gz QVNZPTKQCCNKNV-UHFFFAOYSA-N -1 0 345.738 3.802 20 0 EHADRM C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1cccs1)c1ccc2ccccc2c1 ZINC000825995051 601802293 /nfs/dbraw/zinc/80/22/93/601802293.db2.gz LNHTUKPMHUZMPB-SJKOYZFVSA-N -1 0 339.416 3.947 20 0 EHADRM Cc1cc(CCCC(=O)N(CC(=O)[O-])c2cccc(C)n2)c(C)s1 ZINC000832969784 601804015 /nfs/dbraw/zinc/80/40/15/601804015.db2.gz PMUWKZHCLBWPOW-UHFFFAOYSA-N -1 0 346.452 3.509 20 0 EHADRM O=C([O-])c1cccc(C(=O)N[C@@H](C2CCCCC2)C(F)(F)F)c1 ZINC000833328485 601806537 /nfs/dbraw/zinc/80/65/37/601806537.db2.gz PTOBBRUUYJHRHL-ZDUSSCGKSA-N -1 0 329.318 3.626 20 0 EHADRM C[C@H](C(=O)N1CCC(CC(=O)[O-])CC1)c1ccc2ccccc2c1 ZINC000825982456 601811346 /nfs/dbraw/zinc/81/13/46/601811346.db2.gz GJFJEGCHEGAJSR-AWEZNQCLSA-N -1 0 325.408 3.657 20 0 EHADRM C[C@@H](SCc1ccc(C(=O)[O-])c(F)c1)C(=O)Nc1ccccc1 ZINC000827908909 601813802 /nfs/dbraw/zinc/81/38/02/601813802.db2.gz OVRKYEPQLVMFDK-LLVKDONJSA-N -1 0 333.384 3.784 20 0 EHADRM Cc1ccc(NC(=O)CSCc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000832943855 601814514 /nfs/dbraw/zinc/81/45/14/601814514.db2.gz LHZSYBCLBUQDSO-UHFFFAOYSA-N -1 0 333.384 3.704 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC000315445793 601816547 /nfs/dbraw/zinc/81/65/47/601816547.db2.gz NRGPWLLCQKJXHI-UHFFFAOYSA-N -1 0 341.860 3.779 20 0 EHADRM CC(C)(C(=O)N1CCC(CCC(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000561912825 601817210 /nfs/dbraw/zinc/81/72/10/601817210.db2.gz JDXMUNGRGNQQBZ-UHFFFAOYSA-N -1 0 337.847 3.721 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)CC1 ZINC000538583043 601819671 /nfs/dbraw/zinc/81/96/71/601819671.db2.gz DHQYZOMZILPKLG-UHFFFAOYSA-N -1 0 334.803 3.538 20 0 EHADRM Cc1ccc([C@H](NC(=O)N2CCC(CCC(=O)[O-])CC2)C2CC2)cc1 ZINC000659392722 601823716 /nfs/dbraw/zinc/82/37/16/601823716.db2.gz QMGDSDOXMRJMRF-IBGZPJMESA-N -1 0 344.455 3.733 20 0 EHADRM CC(=O)c1ccccc1C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000825963916 601843580 /nfs/dbraw/zinc/84/35/80/601843580.db2.gz JYEWFPTXMVBLGL-OAHLLOKOSA-N -1 0 332.739 3.525 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OC(=O)c1cncc(-c2ccccc2)c1 ZINC000831919320 601846282 /nfs/dbraw/zinc/84/62/82/601846282.db2.gz VFLLLGVAIRMQCJ-UHFFFAOYSA-N -1 0 349.342 3.675 20 0 EHADRM Cc1ccc(-c2cncc(C(=O)Oc3ccc(CC(=O)[O-])cc3)c2)cc1 ZINC000832907031 601846556 /nfs/dbraw/zinc/84/65/56/601846556.db2.gz KGPGRDMLTYJOAM-UHFFFAOYSA-N -1 0 347.370 3.903 20 0 EHADRM C[C@H](SCc1ccc(C(=O)[O-])s1)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000827909117 601846773 /nfs/dbraw/zinc/84/67/73/601846773.db2.gz RYENFYNQMSRWLY-NTZNESFSSA-N -1 0 341.498 3.763 20 0 EHADRM O=C([O-])c1ccc(CSCC(=O)Nc2ccc(F)c(F)c2)s1 ZINC000833115379 601847399 /nfs/dbraw/zinc/84/73/99/601847399.db2.gz AALKJRHNUXZOBH-UHFFFAOYSA-N -1 0 343.376 3.596 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1cncc(-c2ccccc2)c1)c1ccccc1 ZINC000769516310 601847571 /nfs/dbraw/zinc/84/75/71/601847571.db2.gz YIRWXEYEVHSNRP-IBGZPJMESA-N -1 0 346.386 3.694 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1cncc(-c2ccccc2)c1 ZINC000832523155 601849363 /nfs/dbraw/zinc/84/93/63/601849363.db2.gz HVVAGNSOBLZYJD-UHFFFAOYSA-N -1 0 349.342 3.675 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc3ccccc3c(Cl)n2)cc1F ZINC000326347470 601850480 /nfs/dbraw/zinc/85/04/80/601850480.db2.gz CFVYZOGLWRNILD-UHFFFAOYSA-N -1 0 344.729 3.978 20 0 EHADRM O=C([O-])NCCCC(=O)Nc1ccc(Oc2ccncc2)c(Cl)c1 ZINC000739960992 601853531 /nfs/dbraw/zinc/85/35/31/601853531.db2.gz OEHOXZFZFCVKND-UHFFFAOYSA-N -1 0 349.774 3.514 20 0 EHADRM Cc1cc(C(=O)Nc2cccc(OCC(=O)[O-])c2)c(Cl)cc1F ZINC000237796416 601861325 /nfs/dbraw/zinc/86/13/25/601861325.db2.gz NQASAFHSMWWYMI-UHFFFAOYSA-N -1 0 337.734 3.503 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2cncc(-c3ccccc3)c2)c2ccccc21 ZINC000833192362 601863498 /nfs/dbraw/zinc/86/34/98/601863498.db2.gz CWMLYTSMRPYHNG-SFHVURJKSA-N -1 0 344.370 3.577 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)c2ccc3ncsc3c2)cc1 ZINC000833264311 601872670 /nfs/dbraw/zinc/87/26/70/601872670.db2.gz LWBKPQNEYZNWCA-UHFFFAOYSA-N -1 0 345.401 3.692 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)C[C@@H]2CCc3ccccc32)cc1 ZINC000833264736 601874884 /nfs/dbraw/zinc/87/48/84/601874884.db2.gz WWBGSNZAQLBPDN-AWEZNQCLSA-N -1 0 342.416 3.889 20 0 EHADRM C[C@@H](C(=O)Oc1ccc(SCC(=O)[O-])cc1)c1cccc(F)c1 ZINC000826071048 601876223 /nfs/dbraw/zinc/87/62/23/601876223.db2.gz HLHXHIKHKHRCGV-LLVKDONJSA-N -1 0 334.368 3.712 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)c2cc3occc3s2)cc1 ZINC000833264512 601879217 /nfs/dbraw/zinc/87/92/17/601879217.db2.gz UBTQMUOJONYZKZ-UHFFFAOYSA-N -1 0 334.374 3.890 20 0 EHADRM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000828201888 601881140 /nfs/dbraw/zinc/88/11/40/601881140.db2.gz WVNQDBVPWRGOFL-FRFSOERESA-N -1 0 345.443 3.682 20 0 EHADRM CCS[C@H]1CC[C@H](N(C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC000830150479 601881445 /nfs/dbraw/zinc/88/14/45/601881445.db2.gz PRVBJTOYBMFROG-KBPBESRZSA-N -1 0 336.457 3.831 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)[C@H]1CCSc2ccccc21 ZINC000833132030 601902328 /nfs/dbraw/zinc/90/23/28/601902328.db2.gz PPBDKTPOOJMMKA-ARFHVFGLSA-N -1 0 347.480 3.806 20 0 EHADRM CC[C@H](C)Oc1cccc(NC(=O)[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000739252353 601904874 /nfs/dbraw/zinc/90/48/74/601904874.db2.gz ZAXOGHGDZXCDBN-GUYCJALGSA-N -1 0 342.395 3.811 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)c1ccc(Cl)nc1Cl ZINC000833131979 601905900 /nfs/dbraw/zinc/90/59/00/601905900.db2.gz MOIWSZOOTGPSEH-KOLCDFICSA-N -1 0 345.226 3.542 20 0 EHADRM O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)c1cc(Cl)nc(Cl)c1 ZINC000833131838 601907882 /nfs/dbraw/zinc/90/78/82/601907882.db2.gz HYRSYSYHOGFUCN-QWRGUYRKSA-N -1 0 345.226 3.542 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2ccc(OC3CCCC3)cc2)c1 ZINC000676003469 601917807 /nfs/dbraw/zinc/91/78/07/601917807.db2.gz CPOHLDIZZGQSCQ-UHFFFAOYSA-N -1 0 339.391 3.636 20 0 EHADRM O=C([O-])N1CCC[C@@H](CNc2ccc(C(F)(F)F)c(Cl)n2)C1 ZINC000740511155 601918101 /nfs/dbraw/zinc/91/81/01/601918101.db2.gz DQRPFMLPDDLNSQ-QMMMGPOBSA-N -1 0 337.729 3.556 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2ccc(-c3ccccc3F)o2)c1 ZINC000238219440 601919378 /nfs/dbraw/zinc/91/93/78/601919378.db2.gz UUPYBIDZEBGVLY-UHFFFAOYSA-N -1 0 339.322 3.714 20 0 EHADRM CC[C@@H](C)[C@H](C(=O)NCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000236873476 601920285 /nfs/dbraw/zinc/92/02/85/601920285.db2.gz UOTPMDQYYXHEPK-KDOFPFPSSA-N -1 0 325.408 3.831 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC000532254366 601921046 /nfs/dbraw/zinc/92/10/46/601921046.db2.gz KPKSKYUUEDRFNI-RBUKOAKNSA-N -1 0 337.419 3.928 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000324589298 601923702 /nfs/dbraw/zinc/92/37/02/601923702.db2.gz CPJSHYRDIMRVEL-UHFFFAOYSA-N -1 0 327.311 3.509 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000236884865 601926270 /nfs/dbraw/zinc/92/62/70/601926270.db2.gz LOIULDYRCSXKJD-CQSZACIVSA-N -1 0 341.407 3.594 20 0 EHADRM Cc1c(C(=O)NCc2cccc(C(=O)[O-])c2)sc2nccc(C)c12 ZINC000832985076 601928569 /nfs/dbraw/zinc/92/85/69/601928569.db2.gz ZDEZFGDVKUEMHM-UHFFFAOYSA-N -1 0 340.404 3.541 20 0 EHADRM O=C([O-])[C@H](OC(=O)CC[C@H]1CCCO1)c1cc(Cl)cc(Cl)c1 ZINC000833096319 601933079 /nfs/dbraw/zinc/93/30/79/601933079.db2.gz GRJUNCHIQBKQIL-TZMCWYRMSA-N -1 0 347.194 3.622 20 0 EHADRM O=C([O-])NC1(C(=O)Nc2ccc(NC3CCCCC3)cc2)CCCC1 ZINC000740542866 601946450 /nfs/dbraw/zinc/94/64/50/601946450.db2.gz MDKFMKQCESCNFT-UHFFFAOYSA-N -1 0 345.443 3.950 20 0 EHADRM CC[C@@H](NC(=S)Nc1cccc(CC(=O)[O-])c1)c1cccs1 ZINC000737785792 601953298 /nfs/dbraw/zinc/95/32/98/601953298.db2.gz ZDPBPEJWQDQJEQ-CYBMUJFWSA-N -1 0 334.466 3.813 20 0 EHADRM Cc1ccc(Br)c(C(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000161388753 601953368 /nfs/dbraw/zinc/95/33/68/601953368.db2.gz AJMGCZHLNYTXDQ-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OCc1ccn(C2CCCC2)n1 ZINC000327512875 601955163 /nfs/dbraw/zinc/95/51/63/601955163.db2.gz MOQOBYYGKWRZPL-VQHVLOKHSA-N -1 0 342.395 3.684 20 0 EHADRM Cc1ccc(-c2nc(CNc3cccc(CC(=O)[O-])c3)cs2)o1 ZINC000738251793 601965798 /nfs/dbraw/zinc/96/57/98/601965798.db2.gz SDYNTDSMOWXZJU-UHFFFAOYSA-N -1 0 328.393 3.951 20 0 EHADRM CC(C)CCCNC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000826849132 601970116 /nfs/dbraw/zinc/97/01/16/601970116.db2.gz VVLAUPKMRYMVKA-UHFFFAOYSA-N -1 0 332.322 3.961 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)c2cncc(-c3ccccc3)c2)c1 ZINC000833268417 601982311 /nfs/dbraw/zinc/98/23/11/601982311.db2.gz SJWYLZRRLBWYJR-UHFFFAOYSA-N -1 0 333.343 3.595 20 0 EHADRM CCO[C@H]1C[C@@H](N(C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C12CCC2 ZINC000829917052 601983071 /nfs/dbraw/zinc/98/30/71/601983071.db2.gz ARMMDEFHZHJSAA-CVEARBPZSA-N -1 0 346.427 3.505 20 0 EHADRM Cc1cccc(S(=O)(=O)N(C)c2ccc(C(C)C)cc2)c1C(=O)[O-] ZINC000832973601 601986149 /nfs/dbraw/zinc/98/61/49/601986149.db2.gz BGOXYEBQFWIYSI-UHFFFAOYSA-N -1 0 347.436 3.642 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)cn1 ZINC000740706854 601992673 /nfs/dbraw/zinc/99/26/73/601992673.db2.gz ATLUAIYRFNRONV-OLZOCXBDSA-N -1 0 331.759 3.567 20 0 EHADRM Cc1cc(Cl)ccc1OCC(=O)OCc1ccc(C(=O)[O-])s1 ZINC000832886783 601998153 /nfs/dbraw/zinc/99/81/53/601998153.db2.gz KVKGVMQBNISAEZ-UHFFFAOYSA-N -1 0 340.784 3.530 20 0 EHADRM CC(C)C[C@@H](C)CC(=O)N(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000826759577 601998793 /nfs/dbraw/zinc/99/87/93/601998793.db2.gz JAAAFJQYLYIZJT-HWPZZCPQSA-N -1 0 345.361 3.760 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000833314851 602004572 /nfs/dbraw/zinc/00/45/72/602004572.db2.gz KSKYFWPUSZGIOM-DTWKUNHWSA-N -1 0 336.331 3.858 20 0 EHADRM CN(C(=O)c1ccc(C(C)(C)C)s1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000830528326 602013852 /nfs/dbraw/zinc/01/38/52/602013852.db2.gz KUAVZPUWCZDNHE-OAHLLOKOSA-N -1 0 331.437 3.944 20 0 EHADRM Cc1ccc(-c2cncc(C(=O)OCc3cc(C(=O)[O-])co3)c2)cc1 ZINC000832907605 602014263 /nfs/dbraw/zinc/01/42/63/602014263.db2.gz YBVXADVKEOKZIU-UHFFFAOYSA-N -1 0 337.331 3.705 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)c2occc2CSc2ccccc2)C1 ZINC000237655020 602016250 /nfs/dbraw/zinc/01/62/50/602016250.db2.gz QRFSQDJDIUFZAF-SFHVURJKSA-N -1 0 345.420 3.509 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)N1CCCC[C@@H]1[C@@H](C)NC(=O)[O-] ZINC000740035074 602018101 /nfs/dbraw/zinc/01/81/01/602018101.db2.gz FXZWJVGZTOALOO-BXUZGUMPSA-N -1 0 348.374 3.531 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cccc(Cl)c1F)c1ccccc1 ZINC000826044550 602025077 /nfs/dbraw/zinc/02/50/77/602025077.db2.gz IDVPYQZQWJAZMR-MEBBXXQBSA-N -1 0 335.762 3.671 20 0 EHADRM Cc1nc2ccc(NC(=O)NCc3cccc(C(=O)[O-])c3)cc2s1 ZINC000833006705 602027085 /nfs/dbraw/zinc/02/70/85/602027085.db2.gz UFMZSHLQOAFMAI-UHFFFAOYSA-N -1 0 341.392 3.625 20 0 EHADRM CSc1ccc(NC(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])cc1 ZINC000832781093 602028880 /nfs/dbraw/zinc/02/88/80/602028880.db2.gz QJADXAOIBMWSGC-LSDHHAIUSA-N -1 0 336.457 3.954 20 0 EHADRM O=C([O-])c1ccc(Cl)cc1OC(=O)c1ccn(C2CCCC2)n1 ZINC000833352864 602032849 /nfs/dbraw/zinc/03/28/49/602032849.db2.gz BCCLDJXRQBEMQK-UHFFFAOYSA-N -1 0 334.759 3.569 20 0 EHADRM COc1cc(C)ccc1NC(=O)N[C@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000831967107 602034731 /nfs/dbraw/zinc/03/47/31/602034731.db2.gz NPNZEZQNWJNMEQ-KGLIPLIRSA-N -1 0 334.416 3.549 20 0 EHADRM CC(C)Oc1ccc(NC(=O)NCc2cccc(C(=O)[O-])c2)c(F)c1 ZINC000827054365 602036810 /nfs/dbraw/zinc/03/68/10/602036810.db2.gz IFIJSRCHCDFMSR-UHFFFAOYSA-N -1 0 346.358 3.633 20 0 EHADRM CCc1cc(Br)ccc1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000128357552 602060689 /nfs/dbraw/zinc/06/06/89/602060689.db2.gz MLTJGDLINBRXDY-UHFFFAOYSA-N -1 0 348.196 3.962 20 0 EHADRM Cc1cc2occ(CC(=O)Nc3cccc(CC(=O)[O-])c3)c2cc1C ZINC000345770047 602069319 /nfs/dbraw/zinc/06/93/19/602069319.db2.gz GSKMYUZXLKGMCY-UHFFFAOYSA-N -1 0 337.375 3.858 20 0 EHADRM Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000532875852 602072813 /nfs/dbraw/zinc/07/28/13/602072813.db2.gz UYSDKPQZUHZYJQ-LBPRGKRZSA-N -1 0 347.798 3.682 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)Nc2ccc(Br)cc2)c1 ZINC000087845007 602084145 /nfs/dbraw/zinc/08/41/45/602084145.db2.gz AJBFJHDVNQGVGR-UHFFFAOYSA-N -1 0 349.184 3.720 20 0 EHADRM O=C([O-])CCCCCCCNC(=O)N1CCCC[C@@H]1c1ccco1 ZINC000833224686 602095378 /nfs/dbraw/zinc/09/53/78/602095378.db2.gz PADFTVQAXUAKDJ-OAHLLOKOSA-N -1 0 336.432 3.941 20 0 EHADRM CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000739237971 602107947 /nfs/dbraw/zinc/10/79/47/602107947.db2.gz PSYORURIUKQJGL-BMIGLBTASA-N -1 0 347.440 3.739 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)COC/C=C/c1ccccc1 ZINC000833031108 602108088 /nfs/dbraw/zinc/10/80/88/602108088.db2.gz GSOAFQAJKDCOGG-VMPITWQZSA-N -1 0 346.404 3.528 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2F)cc1 ZINC000325361904 602108966 /nfs/dbraw/zinc/10/89/66/602108966.db2.gz DREHNZMWFYBMIL-UHFFFAOYSA-N -1 0 341.260 3.724 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)Nc1ccc(-c2csc(C)n2)cc1 ZINC000739227382 602109410 /nfs/dbraw/zinc/10/94/10/602109410.db2.gz BZLVPDBQLPVPGG-MEBBXXQBSA-N -1 0 347.440 3.739 20 0 EHADRM CC(C)c1ncc(C=Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)s1 ZINC000827158271 602109519 /nfs/dbraw/zinc/10/95/19/602109519.db2.gz GCPLRSDGKUVALO-XQRVVYSFSA-N -1 0 341.392 3.784 20 0 EHADRM C[C@@H](COc1ccccc1)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000827525812 602110444 /nfs/dbraw/zinc/11/04/44/602110444.db2.gz ZOGSSYLUJJRRQR-NSHDSACASA-N -1 0 333.771 3.692 20 0 EHADRM Cc1ccc(NC(=O)[C@@H](C)CC(=O)[O-])c(OCc2ccccc2)c1 ZINC000832942384 602110607 /nfs/dbraw/zinc/11/06/07/602110607.db2.gz FCPYZQMEEHTTFN-AWEZNQCLSA-N -1 0 327.380 3.623 20 0 EHADRM Cc1coc(-c2cc(NC(=O)NCCCCCC(=O)[O-])ccc2C)n1 ZINC000417771285 602113774 /nfs/dbraw/zinc/11/37/74/602113774.db2.gz WUJLBAMBUIFAKS-UHFFFAOYSA-N -1 0 345.399 3.725 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)N([C@@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000827247058 602118798 /nfs/dbraw/zinc/11/87/98/602118798.db2.gz ICEOPIVKMPGOOD-QWRGUYRKSA-N -1 0 343.345 3.868 20 0 EHADRM COc1ccc(NC(=O)c2ccc3sccc3c2)c(C(=O)[O-])c1 ZINC000386252772 602122592 /nfs/dbraw/zinc/12/25/92/602122592.db2.gz SEYBMADBAORSDE-UHFFFAOYSA-N -1 0 327.361 3.860 20 0 EHADRM CCCC1(C(=O)Nc2nc(-c3ccccc3)c(CC(=O)[O-])s2)CC1 ZINC000829238448 602122860 /nfs/dbraw/zinc/12/28/60/602122860.db2.gz TXQDUVQYZKQVAU-UHFFFAOYSA-N -1 0 344.436 3.956 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000827255156 602140605 /nfs/dbraw/zinc/14/06/05/602140605.db2.gz CQUKXGMJRFDTIZ-BXUZGUMPSA-N -1 0 343.345 3.870 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000827304193 602142054 /nfs/dbraw/zinc/14/20/54/602142054.db2.gz QTEQNYQZMXYOHW-CQSZACIVSA-N -1 0 349.390 3.589 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)Nc1ccc(-c2nc(C)cs2)cc1 ZINC000739230120 602149519 /nfs/dbraw/zinc/14/95/19/602149519.db2.gz IXAGWWBDXNXSOT-QMTHXVAHSA-N -1 0 347.440 3.739 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=S)NCc1ccccc1)c1ccccc1 ZINC000826106257 602151960 /nfs/dbraw/zinc/15/19/60/602151960.db2.gz WJKLYUSADOAWRC-MRXNPFEDSA-N -1 0 342.464 3.503 20 0 EHADRM CC[C@H](OC1CCCCC1)C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000263166982 602159104 /nfs/dbraw/zinc/15/91/04/602159104.db2.gz FMXXDFFBFOUUGH-WBAXXEDZSA-N -1 0 347.455 3.693 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(Cl)cc2C)cc1 ZINC000685018628 602172173 /nfs/dbraw/zinc/17/21/73/602172173.db2.gz JORNGJGUMODWMZ-INIZCTEOSA-N -1 0 347.798 3.603 20 0 EHADRM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1NC(=O)[O-] ZINC000739051789 602176333 /nfs/dbraw/zinc/17/63/33/602176333.db2.gz BPNRFAFFXUATAE-SNVBAGLBSA-N -1 0 334.759 3.836 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)c1cnc(Cl)c(Cl)c1 ZINC000740716638 602179339 /nfs/dbraw/zinc/17/93/39/602179339.db2.gz XKZOUKHRXWOJJT-UHFFFAOYSA-N -1 0 326.139 3.731 20 0 EHADRM COc1cc(C(=O)Nc2ccccc2NC(=O)[O-])ccc1OC(C)C ZINC000739853642 602179467 /nfs/dbraw/zinc/17/94/67/602179467.db2.gz UHFILFUGZQWEIL-UHFFFAOYSA-N -1 0 344.367 3.825 20 0 EHADRM COc1ccccc1C/C(C)=C\C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000588592996 602181117 /nfs/dbraw/zinc/18/11/17/602181117.db2.gz DXNOGNTZMKBVIN-FLIBITNWSA-N -1 0 331.393 3.582 20 0 EHADRM Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000832958932 602181162 /nfs/dbraw/zinc/18/11/62/602181162.db2.gz WDTZLIGHRUPSGM-CQSZACIVSA-N -1 0 342.420 3.792 20 0 EHADRM O=C([O-])c1csc(NC(=O)COc2ccc3ccccc3c2)c1 ZINC000191356640 602182058 /nfs/dbraw/zinc/18/20/58/602182058.db2.gz ALFPRGKFJZBKMA-UHFFFAOYSA-N -1 0 327.361 3.617 20 0 EHADRM Cc1cc(Br)ccc1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000191380404 602183507 /nfs/dbraw/zinc/18/35/07/602183507.db2.gz ROCNKQCERVLXSU-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2cnc(-c3ccccc3)s2)c1 ZINC000191353544 602184632 /nfs/dbraw/zinc/18/46/32/602184632.db2.gz YUSIQIMMJMRCFQ-UHFFFAOYSA-N -1 0 330.390 3.822 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)O[C@H](c1ccc(Br)cc1)C1CC1 ZINC000827334788 602192799 /nfs/dbraw/zinc/19/27/99/602192799.db2.gz WGERXVQEXNLLPV-OTYXRUKQSA-N -1 0 341.201 3.554 20 0 EHADRM CC(C)[C@H](C)N(C)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000826680090 602226965 /nfs/dbraw/zinc/22/69/65/602226965.db2.gz AMUPTHYUKYZERO-ZDUSSCGKSA-N -1 0 344.411 3.811 20 0 EHADRM COc1ccc(NC(=O)[O-])c(NC(=O)c2ccc(C(F)F)cc2)c1 ZINC000739918251 602235433 /nfs/dbraw/zinc/23/54/33/602235433.db2.gz PBFJUNLHOQIGNU-UHFFFAOYSA-N -1 0 336.294 3.975 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1ccc(-c2ccco2)s1)c1ccccc1 ZINC000833124621 602243891 /nfs/dbraw/zinc/24/38/91/602243891.db2.gz MFVCMSHIEMWHMI-OAHLLOKOSA-N -1 0 327.361 3.564 20 0 EHADRM CC[C@@H](OC(=O)[C@H](C)CC(=O)[O-])c1ccc(Br)cc1 ZINC000829004539 602259103 /nfs/dbraw/zinc/25/91/03/602259103.db2.gz LABXYLAJUVNACA-BXKDBHETSA-N -1 0 329.190 3.554 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)[C@@H]2CC23CCCC3)c2ccccc12 ZINC000262514678 602259412 /nfs/dbraw/zinc/25/94/12/602259412.db2.gz PQTCESIAHKHLND-HNNXBMFYSA-N -1 0 339.391 3.822 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)Cc2cccs2)c2ccccc12 ZINC000237960293 602260511 /nfs/dbraw/zinc/26/05/11/602260511.db2.gz KUIYFZAUYPWGHJ-UHFFFAOYSA-N -1 0 341.388 3.546 20 0 EHADRM CC[C@@](C)(NC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F)C(=O)[O-] ZINC000776619412 602295061 /nfs/dbraw/zinc/29/50/61/602295061.db2.gz YQXGPCMMJNHVKD-KOTGUFOOSA-N -1 0 349.736 3.655 20 0 EHADRM CN(Cc1ccccc1NC(=O)c1cccc2cccnc21)C(=O)[O-] ZINC000739716867 602307903 /nfs/dbraw/zinc/30/79/03/602307903.db2.gz GXTKEIWQBMOOCN-UHFFFAOYSA-N -1 0 335.363 3.597 20 0 EHADRM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N(C)c2ncc(C(=O)[O-])s2)cc1 ZINC000827117589 602329907 /nfs/dbraw/zinc/32/99/07/602329907.db2.gz DPXVTQQMJCAQPG-KBPBESRZSA-N -1 0 344.436 3.731 20 0 EHADRM C/C(=C/COC(=O)C1(c2c(Cl)cccc2Cl)CC1)C(=O)[O-] ZINC000825751763 602345841 /nfs/dbraw/zinc/34/58/41/602345841.db2.gz CEMBOYZHGCCNAL-UITAMQMPSA-N -1 0 329.179 3.599 20 0 EHADRM CCCC1(C(=O)O[C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)CCC1 ZINC000829238675 602347459 /nfs/dbraw/zinc/34/74/59/602347459.db2.gz YVBAZBSCUGYAIK-CYBMUJFWSA-N -1 0 347.411 3.534 20 0 EHADRM CN(C(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F)C(C)(C)C(=O)[O-] ZINC000830463736 602351571 /nfs/dbraw/zinc/35/15/71/602351571.db2.gz BIOATWGEZINSEJ-DHZHZOJOSA-N -1 0 349.736 3.607 20 0 EHADRM CC(C)C[C@@H]1CCCN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)C1 ZINC000826831771 602352235 /nfs/dbraw/zinc/35/22/35/602352235.db2.gz GYMAXCWDBUDKSZ-HNNXBMFYSA-N -1 0 348.443 3.830 20 0 EHADRM CC[C@H](Cc1ccccc1)N(CC)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000828901354 602354402 /nfs/dbraw/zinc/35/44/02/602354402.db2.gz RMAOPUKPHNWAKI-MRXNPFEDSA-N -1 0 343.427 3.598 20 0 EHADRM Cc1ccc(OCCC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1C ZINC000392371012 602356210 /nfs/dbraw/zinc/35/62/10/602356210.db2.gz PTMQVOHJSWUZEX-UHFFFAOYSA-N -1 0 331.343 3.548 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C[C@@H]2CCc3ccccc3C2)cc1F ZINC000767199050 602358006 /nfs/dbraw/zinc/35/80/06/602358006.db2.gz CZSUBEYTVREUGU-GFCCVEGCSA-N -1 0 327.355 3.658 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)cc1F ZINC000325974090 602358189 /nfs/dbraw/zinc/35/81/89/602358189.db2.gz XJQYIMGXIBOOEH-UHFFFAOYSA-N -1 0 345.223 3.934 20 0 EHADRM CC(C)c1cccc(OCC(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000325971931 602359346 /nfs/dbraw/zinc/35/93/46/602359346.db2.gz WEAKHBKBXBUWBS-UHFFFAOYSA-N -1 0 331.343 3.665 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2sccc2Br)cc1F ZINC000224839001 602359464 /nfs/dbraw/zinc/35/94/64/602359464.db2.gz YHFHONNOOROBRS-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccc(OCC3CC3)cc2)cc1F ZINC000767200706 602360768 /nfs/dbraw/zinc/36/07/68/602360768.db2.gz SJHKHTJEMQGLKE-UHFFFAOYSA-N -1 0 329.327 3.565 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N[C@H]2COc3ccc(Cl)cc32)cc1 ZINC000833288923 602363853 /nfs/dbraw/zinc/36/38/53/602363853.db2.gz BCBCWEJMPWCQLZ-ZDUSSCGKSA-N -1 0 347.758 3.685 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1F ZINC000833154136 602369405 /nfs/dbraw/zinc/36/94/05/602369405.db2.gz RITXJUUQCFSIAQ-IUCAKERBSA-N -1 0 348.296 3.767 20 0 EHADRM Cc1ccc([C@H](C)N(C)C(=O)Nc2cc(C(=O)[O-])n(C)c2)c(C)c1 ZINC000832922367 602371614 /nfs/dbraw/zinc/37/16/14/602371614.db2.gz WTZDUTOWBFPSAX-ZDUSSCGKSA-N -1 0 329.400 3.565 20 0 EHADRM Cn1cc(NC(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)cc1C(=O)[O-] ZINC000833052076 602372125 /nfs/dbraw/zinc/37/21/25/602372125.db2.gz UYUMTBCWBFYYHM-JKSUJKDBSA-N -1 0 341.411 3.571 20 0 EHADRM O=C([O-])NC1CCC(C(=O)Nc2cccc(OC3CCCC3)c2)CC1 ZINC000740557224 602376879 /nfs/dbraw/zinc/37/68/79/602376879.db2.gz KFZDPJLNMXSAAA-UHFFFAOYSA-N -1 0 346.427 3.773 20 0 EHADRM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000827942478 602377061 /nfs/dbraw/zinc/37/70/61/602377061.db2.gz UAHCMXUZZRHXLF-JTQLQIEISA-N -1 0 335.791 3.602 20 0 EHADRM CCN(C(=O)Nc1ccc(C(=O)[O-])c(F)c1)[C@H](C)c1cccc(O)c1 ZINC000829596697 602382592 /nfs/dbraw/zinc/38/25/92/602382592.db2.gz APPPVMAOBOQVTA-LLVKDONJSA-N -1 0 346.358 3.845 20 0 EHADRM O=C([O-])N1CCC[C@H](c2nc(-c3c(Cl)cccc3Cl)no2)C1 ZINC000738642763 602405619 /nfs/dbraw/zinc/40/56/19/602405619.db2.gz SNVKYQIPMWDIPQ-QMMMGPOBSA-N -1 0 342.182 3.901 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000740157794 602408824 /nfs/dbraw/zinc/40/88/24/602408824.db2.gz JDLARJDKSPDZJW-UHFFFAOYSA-N -1 0 347.459 3.972 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(-c2ccc(OC(F)F)cc2)n1 ZINC000738814634 602409534 /nfs/dbraw/zinc/40/95/34/602409534.db2.gz DHPZXJYZXDJULC-NSHDSACASA-N -1 0 341.314 3.693 20 0 EHADRM CC(C)C[C@H](NC(=O)[O-])c1noc(-c2csc(C(C)(C)C)n2)n1 ZINC000738814194 602410734 /nfs/dbraw/zinc/41/07/34/602410734.db2.gz AIUQKGTZERCWLS-VIFPVBQESA-N -1 0 338.433 3.845 20 0 EHADRM Cc1ccccc1SCc1nc(C2(NC(=O)[O-])CCCC2)no1 ZINC000740191220 602412771 /nfs/dbraw/zinc/41/27/71/602412771.db2.gz RCMCKZPSIRSYBD-UHFFFAOYSA-N -1 0 333.413 3.707 20 0 EHADRM CCC[C@H](NC(=O)N1CCC(CN(C)C(=O)[O-])CC1)c1ccccc1 ZINC000739301871 602413590 /nfs/dbraw/zinc/41/35/90/602413590.db2.gz GRUARFIISZXTJX-KRWDZBQOSA-N -1 0 347.459 3.559 20 0 EHADRM Cn1c2ccccc2c(Cl)c1-c1nc(C2(NC(=O)[O-])CCC2)no1 ZINC000740276010 602418501 /nfs/dbraw/zinc/41/85/01/602418501.db2.gz LIDYHUCRQGOOHY-UHFFFAOYSA-N -1 0 346.774 3.529 20 0 EHADRM O=C([O-])N1CCC2(C[C@H]2c2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000740509181 602419217 /nfs/dbraw/zinc/41/92/17/602419217.db2.gz KTSBZYQCXKVHKQ-LBPRGKRZSA-N -1 0 333.775 3.638 20 0 EHADRM O=C([O-])NCc1cccc(OCc2cc(F)cc3cccnc32)c1 ZINC000740681587 602426910 /nfs/dbraw/zinc/42/69/10/602426910.db2.gz OWRXKNIGCQWKEM-UHFFFAOYSA-N -1 0 326.327 3.721 20 0 EHADRM O=C([O-])N1CCCc2cc(Nc3ncnc4sccc43)ccc21 ZINC000740524551 602435332 /nfs/dbraw/zinc/43/53/32/602435332.db2.gz ZOQWQNHJGXVSPD-UHFFFAOYSA-N -1 0 326.381 3.866 20 0 EHADRM C[C@@H](NC(=O)[O-])C1CCN(Cc2csc(C3CCCC3)n2)CC1 ZINC000739017177 602446012 /nfs/dbraw/zinc/44/60/12/602446012.db2.gz ZYNZUSPXEJROCI-GFCCVEGCSA-N -1 0 337.489 3.669 20 0 EHADRM Cc1ccc(F)cc1NC(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000740129186 602454294 /nfs/dbraw/zinc/45/42/94/602454294.db2.gz FMMIVBNEAHCCAF-HNNXBMFYSA-N -1 0 330.359 3.862 20 0 EHADRM C[C@H](c1ccccc1)N(C)C(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000739058748 602455550 /nfs/dbraw/zinc/45/55/50/602455550.db2.gz NACLVMVBYCJBLG-QAPCUYQASA-N -1 0 340.423 3.995 20 0 EHADRM COc1cc(C)ccc1OC(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000739856579 602455570 /nfs/dbraw/zinc/45/55/70/602455570.db2.gz MHGMMMYIUDDTHW-OAHLLOKOSA-N -1 0 343.379 3.698 20 0 EHADRM Cc1cccc(CN(C)C(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000740169004 602458426 /nfs/dbraw/zinc/45/84/26/602458426.db2.gz FDOUGGGCTJYEPK-GOSISDBHSA-N -1 0 340.423 3.743 20 0 EHADRM O=C([O-])N1CCc2ccc(NC(=S)Nc3ccc(F)cc3)cc2C1 ZINC000740530281 602459641 /nfs/dbraw/zinc/45/96/41/602459641.db2.gz OJEJNANOQBXZSL-UHFFFAOYSA-N -1 0 345.399 3.671 20 0 EHADRM Cc1ccc2c(Cl)c(C(=O)NCCCN(C)C(=O)[O-])sc2c1 ZINC000740157409 602461684 /nfs/dbraw/zinc/46/16/84/602461684.db2.gz YXXQIZORSOCYCM-UHFFFAOYSA-N -1 0 340.832 3.593 20 0 EHADRM O=C([O-])N[C@H](CCC(=O)N1CCC[C@@H]1C1CCCC1)c1ccccc1 ZINC000740540941 602463559 /nfs/dbraw/zinc/46/35/59/602463559.db2.gz XUHLSQCQNLUAMS-QZTJIDSGSA-N -1 0 344.455 3.957 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)N1CCC[C@H]1C1CCCC1)c1ccccc1 ZINC000740540942 602463628 /nfs/dbraw/zinc/46/36/28/602463628.db2.gz XUHLSQCQNLUAMS-ROUUACIJSA-N -1 0 344.455 3.957 20 0 EHADRM CCC[C@H](NC(=O)[O-])C(=O)Nc1cccc(Nc2nc(C)cs2)c1 ZINC000739323052 602463988 /nfs/dbraw/zinc/46/39/88/602463988.db2.gz RVTORLLVAHBMOU-ZDUSSCGKSA-N -1 0 348.428 3.570 20 0 EHADRM Cc1ccc(NC(=O)N2CCC([C@@H](C)NC(=O)[O-])CC2)c(Cl)c1 ZINC000740138786 602465093 /nfs/dbraw/zinc/46/50/93/602465093.db2.gz NMKZKOOHQCJEDN-LLVKDONJSA-N -1 0 339.823 3.548 20 0 EHADRM Cc1ccc(CN(C)C(=O)CC[C@H](NC(=O)[O-])c2ccccc2)s1 ZINC000740124028 602474504 /nfs/dbraw/zinc/47/45/04/602474504.db2.gz ZQUMOCZTJLHESA-INIZCTEOSA-N -1 0 346.452 3.804 20 0 EHADRM CN(C[C@H]1CCN(C(=O)c2ccc(C3CCCCC3)cc2)C1)C(=O)[O-] ZINC000739655925 602479731 /nfs/dbraw/zinc/47/97/31/602479731.db2.gz IOIUREDEPCTAAH-OAHLLOKOSA-N -1 0 344.455 3.806 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2ccccc2OC(F)F)ccc1F ZINC000740696520 602481293 /nfs/dbraw/zinc/48/12/93/602481293.db2.gz DNPKFZTXULYORK-UHFFFAOYSA-N -1 0 340.257 3.769 20 0 EHADRM CCc1ccc([C@H](C)NC(=O)c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000739544662 602481536 /nfs/dbraw/zinc/48/15/36/602481536.db2.gz VOPLMNCHPBYYKS-NSHDSACASA-N -1 0 330.359 3.969 20 0 EHADRM O=C([O-])N1CCc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2C1 ZINC000740388745 602488204 /nfs/dbraw/zinc/48/82/04/602488204.db2.gz FLVVQDHZYJFECD-UHFFFAOYSA-N -1 0 344.798 3.557 20 0 EHADRM CCC[C@@H](NC(=O)c1ccc(F)c(NC(=O)[O-])c1)c1ccccn1 ZINC000739327536 602488367 /nfs/dbraw/zinc/48/83/67/602488367.db2.gz FYOKZHWQLYAXFL-CQSZACIVSA-N -1 0 331.347 3.582 20 0 EHADRM Cc1cccc2c1CC[C@H]2NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000740179642 602488627 /nfs/dbraw/zinc/48/86/27/602488627.db2.gz LTMRRDLBYBGSEW-OAHLLOKOSA-N -1 0 328.343 3.641 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CC[C@@H](c3ccccc3F)C2)ccc1F ZINC000740692530 602490150 /nfs/dbraw/zinc/49/01/50/602490150.db2.gz DSIAOKWZEKBTAI-GFCCVEGCSA-N -1 0 346.333 3.684 20 0 EHADRM Cc1cnn(-c2ccc(C(=O)Nc3ccc(NC(=O)[O-])cc3)cc2)c1 ZINC000740198602 602502944 /nfs/dbraw/zinc/50/29/44/602502944.db2.gz USGJTFWFKGEVHU-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cnc(-c3ccco3)s2)cc1 ZINC000738667213 602505103 /nfs/dbraw/zinc/50/51/03/602505103.db2.gz LYBKHKSQKHWITP-UHFFFAOYSA-N -1 0 329.337 3.745 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000738944087 602513986 /nfs/dbraw/zinc/51/39/86/602513986.db2.gz BCXPQSZALDWRJV-ZDUSSCGKSA-N -1 0 344.436 3.821 20 0 EHADRM CCCCN(C)c1ccc(NC(=O)C2CCC(NC(=O)[O-])CC2)cc1 ZINC000739327852 602518138 /nfs/dbraw/zinc/51/81/38/602518138.db2.gz AOGQTPCHTGAYTM-UHFFFAOYSA-N -1 0 347.459 3.688 20 0 EHADRM C[C@@H](NC(=O)[O-])C(=O)N[C@H](c1ccccc1)c1cccc2ccccc21 ZINC000738994166 602538048 /nfs/dbraw/zinc/53/80/48/602538048.db2.gz IATQFLLVKHNAPT-AUUYWEPGSA-N -1 0 348.402 3.702 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)OCc2cnc3ccccc3c2)cc1 ZINC000740704061 602566768 /nfs/dbraw/zinc/56/67/68/602566768.db2.gz ZNHGNWFGLXLMRR-UHFFFAOYSA-N -1 0 336.347 3.611 20 0 EHADRM COc1ccc([C@H](C)C(=O)Nc2ccc(NC(=O)[O-])c(OC)c2)cc1 ZINC000739897350 602567868 /nfs/dbraw/zinc/56/78/68/602567868.db2.gz VKFBTMHWBOPHFO-NSHDSACASA-N -1 0 344.367 3.536 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000740155950 602581062 /nfs/dbraw/zinc/58/10/62/602581062.db2.gz BNTWCMPRFUIQJP-AWEZNQCLSA-N -1 0 333.432 3.582 20 0 EHADRM CCc1ccccc1NC(=O)N1CCC[C@@H]([C@H]2CCCN2C(=O)[O-])C1 ZINC000739549957 602581350 /nfs/dbraw/zinc/58/13/50/602581350.db2.gz OTUDRIWTCCRVNZ-NVXWUHKLSA-N -1 0 345.443 3.635 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(NC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000738917783 602600093 /nfs/dbraw/zinc/60/00/93/602600093.db2.gz GFRSXPMBAYJDGX-NSHDSACASA-N -1 0 331.347 3.841 20 0 EHADRM Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000740154473 602600337 /nfs/dbraw/zinc/60/03/37/602600337.db2.gz PWFSHEQCYWEWKE-MRXNPFEDSA-N -1 0 325.368 3.894 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)NCC[C@H]1CCCN(C(=O)[O-])C1 ZINC000740040898 602632900 /nfs/dbraw/zinc/63/29/00/602632900.db2.gz PPYNHQUGFLUCLK-CQSZACIVSA-N -1 0 344.411 3.560 20 0 EHADRM CN(C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1)c1c(F)cccc1F ZINC000739574078 602642508 /nfs/dbraw/zinc/64/25/08/602642508.db2.gz ODGLLDDYGYDOOZ-OAHLLOKOSA-N -1 0 348.349 3.717 20 0 EHADRM COc1cccc([C@@H](CNC(=O)[O-])c2c[nH]c3ccccc32)c1OC ZINC000739944226 602663625 /nfs/dbraw/zinc/66/36/25/602663625.db2.gz CDPLBUALLJUKGE-OAHLLOKOSA-N -1 0 340.379 3.585 20 0 EHADRM C[C@@H](C(=O)Nc1ccccc1CN(C)C(=O)[O-])c1ccccc1F ZINC000738638684 602686052 /nfs/dbraw/zinc/68/60/52/602686052.db2.gz NRVXVLNPNJFYBK-GFCCVEGCSA-N -1 0 330.359 3.678 20 0 EHADRM O=C([O-])N1CC[C@H](CCNc2ccc(C(F)(F)F)c(Cl)n2)C1 ZINC000740499464 602687602 /nfs/dbraw/zinc/68/76/02/602687602.db2.gz ZZLLWVRSUPZIOD-QMMMGPOBSA-N -1 0 337.729 3.556 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NC2(c3ccc(Cl)cc3)CC2)cc1 ZINC000738661589 602688073 /nfs/dbraw/zinc/68/80/73/602688073.db2.gz MYNUUAFMKQDKJH-UHFFFAOYSA-N -1 0 330.771 3.849 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)C1CCC(NC(=O)[O-])CC1)C(C)C ZINC000740181625 602690138 /nfs/dbraw/zinc/69/01/38/602690138.db2.gz DEFIWOJHJBDOMW-DQPZFDDXSA-N -1 0 332.444 3.635 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)Nc1ccc(OC)c(NC(=O)[O-])c1 ZINC000739259747 602698550 /nfs/dbraw/zinc/69/85/50/602698550.db2.gz NAZLFORQDVWWEE-AWEZNQCLSA-N -1 0 342.395 3.993 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)NCC2(Sc3ccccc3)CC2)cc1 ZINC000738659639 602722858 /nfs/dbraw/zinc/72/28/58/602722858.db2.gz AOGNFDPMEKFANN-UHFFFAOYSA-N -1 0 342.420 3.831 20 0 EHADRM COc1cccc([C@H]2C[C@H]2C(=O)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000738095452 602726802 /nfs/dbraw/zinc/72/68/02/602726802.db2.gz HUWNLVKJHCCPML-HZPDHXFCSA-N -1 0 326.352 3.527 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)C2CCSCC2)c(C(F)(F)F)c1 ZINC000740707324 602732652 /nfs/dbraw/zinc/73/26/52/602732652.db2.gz HGEIIZVOMNDBLR-UHFFFAOYSA-N -1 0 348.346 3.877 20 0 EHADRM Cc1ccccc1C1(C(=O)Nc2cc(NC(=O)[O-])ccc2F)CC1 ZINC000740180159 602784423 /nfs/dbraw/zinc/78/44/23/602784423.db2.gz BQUHROPAXNOPIB-UHFFFAOYSA-N -1 0 328.343 3.894 20 0 EHADRM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CCC(C)(C)NC(=O)[O-] ZINC000739053593 602789199 /nfs/dbraw/zinc/78/91/99/602789199.db2.gz MIQCVGHYRSZPIC-LBPRGKRZSA-N -1 0 332.400 3.779 20 0 EHADRM CC(C)(C)c1ccc2c(c1)CCN2C(=O)c1ccc(CNC(=O)[O-])o1 ZINC000823859152 602790378 /nfs/dbraw/zinc/79/03/78/602790378.db2.gz JBHGMGCSOFLARD-UHFFFAOYSA-N -1 0 342.395 3.548 20 0 EHADRM CCN(Cc1ccccc1NC(=O)[C@H](C)c1cccs1)C(=O)[O-] ZINC000739444810 602792064 /nfs/dbraw/zinc/79/20/64/602792064.db2.gz PLSSPLMGGADMLQ-GFCCVEGCSA-N -1 0 332.425 3.990 20 0 EHADRM CC(C)c1ccc([C@@H](C)CC(=O)N2CCC[C@@H](NC(=O)[O-])C2)cc1 ZINC000737652819 602794199 /nfs/dbraw/zinc/79/41/99/602794199.db2.gz VIINXTZNJAGQMC-WMLDXEAASA-N -1 0 332.444 3.562 20 0 EHADRM CC(C)(CCC(=O)Nc1ccc(Oc2ccncc2)cc1)NC(=O)[O-] ZINC000738742644 602798344 /nfs/dbraw/zinc/79/83/44/602798344.db2.gz AHGWHIZPOMUUMB-UHFFFAOYSA-N -1 0 343.383 3.639 20 0 EHADRM Cc1csc(-c2ccc(NC(=O)CCC(C)(C)NC(=O)[O-])cc2)n1 ZINC000740201635 602801876 /nfs/dbraw/zinc/80/18/76/602801876.db2.gz UZLYXDPTQPVGLD-UHFFFAOYSA-N -1 0 347.440 3.883 20 0 EHADRM CC(C)CC(=O)Nc1ccc(-c2csc(CN(C)C(=O)[O-])n2)cc1 ZINC000738801689 602810319 /nfs/dbraw/zinc/81/03/19/602810319.db2.gz INGSYCIZZJZTOG-UHFFFAOYSA-N -1 0 347.440 3.905 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)N2CCCCCc3ccccc32)cc1 ZINC000740670729 602815655 /nfs/dbraw/zinc/81/56/55/602815655.db2.gz FYKGZFOUWJMFHV-UHFFFAOYSA-N -1 0 338.407 3.827 20 0 EHADRM CC[C@H](NC(=O)[C@@H](NC(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000739268400 602846618 /nfs/dbraw/zinc/84/66/18/602846618.db2.gz QYJYTWTXSRHACD-HOTGVXAUSA-N -1 0 348.349 3.541 20 0 EHADRM CC[C@H](NC(=O)[C@H](NC(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000739272572 602846774 /nfs/dbraw/zinc/84/67/74/602846774.db2.gz QYJYTWTXSRHACD-JKSUJKDBSA-N -1 0 348.349 3.541 20 0 EHADRM CC(C)Sc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC(=O)[O-] ZINC000824678328 602857964 /nfs/dbraw/zinc/85/79/64/602857964.db2.gz BGTRZSLWSSZNOK-SECBINFHSA-N -1 0 330.837 3.825 20 0 EHADRM C[C@H](NC(=O)C[C@H]1CCCN1C(=O)[O-])c1csc2ccccc21 ZINC000825109312 602870385 /nfs/dbraw/zinc/87/03/85/602870385.db2.gz UMOYVJLXSWJNRT-NWDGAFQWSA-N -1 0 332.425 3.611 20 0 EHADRM Cc1ccc(C(=O)N(C)CCc2ccccc2F)cc1NC(=O)[O-] ZINC000830181712 602902832 /nfs/dbraw/zinc/90/28/32/602902832.db2.gz GBEOTLPWRFJJGH-UHFFFAOYSA-N -1 0 330.359 3.539 20 0 EHADRM CC(C)(C)[C@H]1CCCN(C(=O)CCCCCCNC(=O)[O-])CC1 ZINC000738676431 602911654 /nfs/dbraw/zinc/91/16/54/602911654.db2.gz QIMMTCFFXFDMAB-HNNXBMFYSA-N -1 0 326.481 3.879 20 0 EHADRM Cc1c2ccccc2oc1[C@@H](NC(=O)C[C@H](C)NC(=O)[O-])C(C)C ZINC000829860378 602918499 /nfs/dbraw/zinc/91/84/99/602918499.db2.gz YERDBSCHAPPMKO-ZBEGNZNMSA-N -1 0 332.400 3.601 20 0 EHADRM CC(C)(C)c1ccccc1NC(=O)N[C@H]1CCCCN(C(=O)[O-])C1 ZINC000738725465 602939181 /nfs/dbraw/zinc/93/91/81/602939181.db2.gz NRZLKRFHEQDPHO-ZDUSSCGKSA-N -1 0 333.432 3.638 20 0 EHADRM CC(C)(CC(=O)N[C@H](Cc1ccccc1)c1ccccc1)NC(=O)[O-] ZINC000738733024 602940124 /nfs/dbraw/zinc/94/01/24/602940124.db2.gz PLKMYPXXLYALSJ-QGZVFWFLSA-N -1 0 340.423 3.523 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NC2(c3nccs3)CCCC2)cc1 ZINC000738664563 602941809 /nfs/dbraw/zinc/94/18/09/602941809.db2.gz HTLREDPAJZWMQZ-UHFFFAOYSA-N -1 0 346.412 3.824 20 0 EHADRM C[C@@H](CC(=O)Nc1ccccc1O[C@@H](C)c1ccccc1)NC(=O)[O-] ZINC000824703459 602945149 /nfs/dbraw/zinc/94/51/49/602945149.db2.gz LLVYJIJRZRQURV-KBPBESRZSA-N -1 0 342.395 3.811 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)Nc3cccc4[nH]ccc43)ccc21 ZINC000740470747 602951820 /nfs/dbraw/zinc/95/18/20/602951820.db2.gz OROLHANIZGHHPK-UHFFFAOYSA-N -1 0 336.351 3.852 20 0 EHADRM Cc1c(CSC(C)C)cccc1NC(=O)CCCN(C)C(=O)[O-] ZINC000738292106 602952028 /nfs/dbraw/zinc/95/20/28/602952028.db2.gz ZBVVRNZOABHHRO-UHFFFAOYSA-N -1 0 338.473 3.965 20 0 EHADRM Cc1ccccc1NC(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2 ZINC000740185294 602955056 /nfs/dbraw/zinc/95/50/56/602955056.db2.gz HYJGQTLLLGXNLF-UHFFFAOYSA-N -1 0 325.368 3.675 20 0 EHADRM COc1cc(NC(=O)[C@H](C)c2cccc(C)c2)ccc1NC(=O)[O-] ZINC000739869325 602961395 /nfs/dbraw/zinc/96/13/95/602961395.db2.gz WZZBDSUXVGBTDO-GFCCVEGCSA-N -1 0 328.368 3.836 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)N(Cc2ccoc2)C2CCCCC2)o1 ZINC000832678246 602990261 /nfs/dbraw/zinc/99/02/61/602990261.db2.gz NCVXTKYCKHAODG-UHFFFAOYSA-N -1 0 346.383 3.615 20 0 EHADRM Cc1ccc([C@H]2CCCCN2C(=O)C[C@@H]2CCCN2C(=O)[O-])cc1 ZINC000830281743 602990286 /nfs/dbraw/zinc/99/02/86/602990286.db2.gz LAAKOKGSMZFGPT-DLBZAZTESA-N -1 0 330.428 3.581 20 0 EHADRM CC(C)[C@@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccccc1 ZINC000738774506 603002656 /nfs/dbraw/zinc/00/26/56/603002656.db2.gz NOJGDGWPDFPXHT-HQSKLWIPSA-N -1 0 344.455 3.606 20 0 EHADRM CC1CCN(c2cccc(NC(=O)CCC(C)(C)NC(=O)[O-])c2)CC1 ZINC000739112671 603006804 /nfs/dbraw/zinc/00/68/04/603006804.db2.gz GKKBSDAAFBEEJW-UHFFFAOYSA-N -1 0 347.459 3.688 20 0 EHADRM Cc1ccc(C(=O)N2CCOc3ccc(Cl)cc32)cc1NC(=O)[O-] ZINC000830198761 603011290 /nfs/dbraw/zinc/01/12/90/603011290.db2.gz NQHKERWNNDNOIT-UHFFFAOYSA-N -1 0 346.770 3.778 20 0 EHADRM CC[C@@H](CC1CCCCC1)C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000739257651 603011419 /nfs/dbraw/zinc/01/14/19/603011419.db2.gz JFGUXKQYDSDPEP-XYTVBORESA-N -1 0 336.476 3.773 20 0 EHADRM O=C([O-])N[C@@H](CNC(=O)CC/C=C/c1ccccc1)c1ccccc1 ZINC000740539411 603022314 /nfs/dbraw/zinc/02/23/14/603022314.db2.gz UNSLVHYHUGFCLM-DBEXCURXSA-N -1 0 338.407 3.605 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)NCC[C@@H](C)NC(=O)[O-] ZINC000738759647 603022661 /nfs/dbraw/zinc/02/26/61/603022661.db2.gz KEHNRCIWEUQKNJ-CYBMUJFWSA-N -1 0 336.457 3.521 20 0 EHADRM O=C([O-])NC1CCC(C(=O)Nc2cccc(NC3CCCC3)c2)CC1 ZINC000740558532 603028814 /nfs/dbraw/zinc/02/88/14/603028814.db2.gz ZEDBXIUNYNSIKQ-UHFFFAOYSA-N -1 0 345.443 3.806 20 0 EHADRM Cc1ccc(CNC(=O)Nc2cc(NC(=O)[O-])ccc2F)cc1F ZINC000740129011 603032906 /nfs/dbraw/zinc/03/29/06/603032906.db2.gz FCYASXMSQBNFLP-UHFFFAOYSA-N -1 0 335.310 3.685 20 0 EHADRM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CC(C)(C)NC(=O)[O-] ZINC000739266239 603033281 /nfs/dbraw/zinc/03/32/81/603033281.db2.gz UNIXVGIWOUVILJ-HOTGVXAUSA-N -1 0 332.444 3.608 20 0 EHADRM CCC(CC)[C@H](NC(=O)C1CCN(C(=O)[O-])CC1)c1ccccc1 ZINC000826566388 603033520 /nfs/dbraw/zinc/03/35/20/603033520.db2.gz HPZSDRXNFQJYPM-KRWDZBQOSA-N -1 0 332.444 3.670 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)NC2(c3ccc(F)cc3)CC2)c1 ZINC000740704923 603036527 /nfs/dbraw/zinc/03/65/27/603036527.db2.gz GNGCBOGFMIOUOQ-UHFFFAOYSA-N -1 0 347.321 3.866 20 0 EHADRM C[C@H](Cc1ccccc1F)C(=O)Oc1ccc(N(C)C(=O)[O-])cc1 ZINC000825025138 603040259 /nfs/dbraw/zinc/04/02/59/603040259.db2.gz ZYNFHTJHRFOMIM-GFCCVEGCSA-N -1 0 331.343 3.724 20 0 EHADRM Cc1ccccc1CN(C)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000740185466 603041079 /nfs/dbraw/zinc/04/10/79/603041079.db2.gz WKMIFXWLAMBMDK-UHFFFAOYSA-N -1 0 331.347 3.888 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N[C@H]2CCOc3ccccc32)c1 ZINC000740704763 603042231 /nfs/dbraw/zinc/04/22/31/603042231.db2.gz DYNHPAZGPIPPMI-ZDUSSCGKSA-N -1 0 345.330 3.561 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)N2CC[C@@H](c3ccccc3)C2)c1 ZINC000740706276 603043636 /nfs/dbraw/zinc/04/36/36/603043636.db2.gz IZVPRZDNWSIXSP-CYBMUJFWSA-N -1 0 343.358 3.937 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)NC[C@@H]2CCc3ccccc32)c1 ZINC000740707032 603043651 /nfs/dbraw/zinc/04/36/51/603043651.db2.gz LSBTYZXFMPIZIR-LBPRGKRZSA-N -1 0 343.358 3.767 20 0 EHADRM C[C@@H](CNC(=O)c1ccc(F)c(NC(=O)[O-])c1)Sc1ccccc1 ZINC000824973863 603064819 /nfs/dbraw/zinc/06/48/19/603064819.db2.gz PAJDYZPYRAGOIO-NSHDSACASA-N -1 0 348.399 3.826 20 0 EHADRM CCN(Cc1nc(-c2ccc(OC)c(OC)c2)c(C)s1)C(=O)[O-] ZINC000739446503 603070603 /nfs/dbraw/zinc/07/06/03/603070603.db2.gz YEPCVOUIGJDJBP-UHFFFAOYSA-N -1 0 336.413 3.636 20 0 EHADRM COc1ccc(Cl)cc1N(C)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000738012885 603102820 /nfs/dbraw/zinc/10/28/20/603102820.db2.gz ALERDUKCSRUBDQ-UHFFFAOYSA-N -1 0 334.759 3.715 20 0 EHADRM O=C([O-])N1CCc2ccc(NCc3cc(-c4ccccc4)no3)cc2C1 ZINC000740529701 603134411 /nfs/dbraw/zinc/13/44/11/603134411.db2.gz IFQBZJQFXBWUKA-UHFFFAOYSA-N -1 0 349.390 3.990 20 0 EHADRM CSc1ccc(NC(=O)COc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738143773 603157988 /nfs/dbraw/zinc/15/79/88/603157988.db2.gz LLYCWUUXWUQTHF-UHFFFAOYSA-N -1 0 332.381 3.516 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@H](C(=O)Nc2cc(Cl)cc3cccnc32)C1 ZINC000740572256 603164086 /nfs/dbraw/zinc/16/40/86/603164086.db2.gz KVIWGGLCBGIRHI-AAEUAGOBSA-N -1 0 347.802 3.653 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NCc2coc3ccccc23)cc1 ZINC000738664976 603165131 /nfs/dbraw/zinc/16/51/31/603165131.db2.gz IVHLAAWHTNSWER-UHFFFAOYSA-N -1 0 325.324 3.844 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@H](C(=O)Nc2ccccc2OC2CCCC2)C1 ZINC000740570316 603175007 /nfs/dbraw/zinc/17/50/07/603175007.db2.gz XNZYZMJORVNRRN-KBPBESRZSA-N -1 0 346.427 3.773 20 0 EHADRM CCCOc1cc(C)ccc1NC(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000739361577 603175614 /nfs/dbraw/zinc/17/56/14/603175614.db2.gz PXSNSUCMSKNKSS-UONOGXRCSA-N -1 0 334.416 3.549 20 0 EHADRM CSc1ccc(O[C@@H](C)C(=O)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738146566 603178846 /nfs/dbraw/zinc/17/88/46/603178846.db2.gz RTTCOESLFHOJOJ-NSHDSACASA-N -1 0 346.408 3.904 20 0 EHADRM C[C@H](NC(=O)c1ccc(NC(=O)[O-])cc1)c1nc2ccccc2s1 ZINC000736657155 603180591 /nfs/dbraw/zinc/18/05/91/603180591.db2.gz PWKWRGPCYDLGIN-JTQLQIEISA-N -1 0 341.392 3.877 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)[C@@H](C)Cc2ccc(F)cc2)cc1 ZINC000825015565 603182000 /nfs/dbraw/zinc/18/20/00/603182000.db2.gz HFFIVJSNZZCCCD-QWHCGFSZSA-N -1 0 344.386 3.972 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)CCCc2ccccc2)cc1 ZINC000825415183 603182407 /nfs/dbraw/zinc/18/24/07/603182407.db2.gz DLPDXCHGLHJLHE-CQSZACIVSA-N -1 0 326.396 3.977 20 0 EHADRM Cc1ccccc1C[C@H]1CCCN1C(=O)c1cccc(NC(=O)[O-])c1 ZINC000738769255 603185187 /nfs/dbraw/zinc/18/51/87/603185187.db2.gz QXOUUEFVAASOTE-GOSISDBHSA-N -1 0 338.407 3.932 20 0 EHADRM COc1cc(Cl)ccc1C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000829134973 603186979 /nfs/dbraw/zinc/18/69/79/603186979.db2.gz NKOGAYKLELMNIM-SNVBAGLBSA-N -1 0 348.786 3.930 20 0 EHADRM CC(=O)c1csc(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)c1 ZINC000823640597 603192601 /nfs/dbraw/zinc/19/26/01/603192601.db2.gz HVGPDERPNQBBTB-SECBINFHSA-N -1 0 332.381 3.532 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)Nc2cccc(SC(F)F)c2)C1 ZINC000740568478 603194251 /nfs/dbraw/zinc/19/42/51/603194251.db2.gz UIVNRZCPOCUYFH-NXEZZACHSA-N -1 0 344.383 3.766 20 0 EHADRM CC(=O)c1ccc(NC(=O)c2ccc(NC(=O)[O-])cc2Cl)cc1 ZINC000738600076 603197992 /nfs/dbraw/zinc/19/79/92/603197992.db2.gz CVKVVABAWPMPIG-UHFFFAOYSA-N -1 0 332.743 3.885 20 0 EHADRM C[C@@H](C(=O)NCc1ccc(Cl)cc1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823706142 603209680 /nfs/dbraw/zinc/20/96/80/603209680.db2.gz YYHLXWGYHJWNFV-MLGOLLRUSA-N -1 0 346.814 3.601 20 0 EHADRM Cc1cccc(NC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c2ccccc2)c1C ZINC000830512200 603212362 /nfs/dbraw/zinc/21/23/62/603212362.db2.gz VJGMYKKFFGXQCY-WMLDXEAASA-N -1 0 326.396 3.887 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N[C@@H]2C[C@H]2Cc2ccccc2)c(Cl)c1 ZINC000740698387 603225583 /nfs/dbraw/zinc/22/55/83/603225583.db2.gz KBHKNTWZRSQGHY-MLGOLLRUSA-N -1 0 344.798 3.791 20 0 EHADRM Cc1ccc(CN(C)C(=O)[C@H](C)[C@@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000830302857 603230256 /nfs/dbraw/zinc/23/02/56/603230256.db2.gz PMHCEGRAIPRNBP-CRAIPNDOSA-N -1 0 340.423 3.598 20 0 EHADRM CC[C@@H](C)Sc1ccc(NC(=O)[C@H]2CCN(C(=O)[O-])C2)c(C)c1 ZINC000739249855 603235006 /nfs/dbraw/zinc/23/50/06/603235006.db2.gz PDFROVUTFFZYJH-OLZOCXBDSA-N -1 0 336.457 3.824 20 0 EHADRM CCN(Cc1cccs1)C(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000827192955 603242356 /nfs/dbraw/zinc/24/23/56/603242356.db2.gz FOBNSDVDSACCHZ-BBRMVZONSA-N -1 0 346.452 3.742 20 0 EHADRM COc1ccc(NC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1 ZINC000829469308 603245564 /nfs/dbraw/zinc/24/55/64/603245564.db2.gz KZCZIPHXYXFSOP-LLVKDONJSA-N -1 0 329.356 3.668 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)Nc2ccccc2-c2ccccc2)o1 ZINC000832705358 603256748 /nfs/dbraw/zinc/25/67/48/603256748.db2.gz JFAYSQUMPAJZRJ-UHFFFAOYSA-N -1 0 336.347 3.967 20 0 EHADRM C[C@H](c1ccccc1)N(C)C(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823655341 603256822 /nfs/dbraw/zinc/25/68/22/603256822.db2.gz SMILOESRQVPCKI-HDMKZQKVSA-N -1 0 340.423 3.851 20 0 EHADRM CC(C)c1ccc([C@@H](CNC(=O)[C@@H](C)c2ccco2)NC(=O)[O-])cc1 ZINC000738879938 603259176 /nfs/dbraw/zinc/25/91/76/603259176.db2.gz YDPBTZXASUWTPW-XJKSGUPXSA-N -1 0 344.411 3.632 20 0 EHADRM CCCc1ccccc1NC(=O)NC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000826954016 603267008 /nfs/dbraw/zinc/26/70/08/603267008.db2.gz NOUACUDCCKHIGG-QGZVFWFLSA-N -1 0 341.411 3.770 20 0 EHADRM Cc1cc([C@@H]2CCCN2C(=O)c2ccc(NC(=O)[O-])cc2Cl)no1 ZINC000740078612 603272748 /nfs/dbraw/zinc/27/27/48/603272748.db2.gz DVZORDUPFQDXBZ-AWEZNQCLSA-N -1 0 349.774 3.704 20 0 EHADRM COc1cc(NC(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)ccc1NC(=O)[O-] ZINC000829167920 603282658 /nfs/dbraw/zinc/28/26/58/603282658.db2.gz SZRWUOQQZLZUJS-JHJVBQTASA-N -1 0 347.415 3.875 20 0 EHADRM O=C([O-])N1CC[C@@H](C(=O)N2CCC[C@@H]2c2cccc3ccccc32)C1 ZINC000740493124 603286894 /nfs/dbraw/zinc/28/68/94/603286894.db2.gz DLDOZGULBUCMNP-CRAIPNDOSA-N -1 0 338.407 3.503 20 0 EHADRM O=C([O-])N1CCCN(C(=O)CSc2ccccc2)c2ccccc21 ZINC000740516204 603298993 /nfs/dbraw/zinc/29/89/93/603298993.db2.gz NIWRJWIOZNPKIQ-UHFFFAOYSA-N -1 0 342.420 3.700 20 0 EHADRM O=C([O-])N1CCC(N(C(=O)c2ccccc2)c2ccccc2F)CC1 ZINC000740498980 603300236 /nfs/dbraw/zinc/30/02/36/603300236.db2.gz BLHWUCYUYXQVBE-UHFFFAOYSA-N -1 0 342.370 3.615 20 0 EHADRM C[C@@H]1CCC[C@H](C)CN1C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000825888014 603301445 /nfs/dbraw/zinc/30/14/45/603301445.db2.gz NIHUBMXKRUPQPF-QWHCGFSZSA-N -1 0 331.416 3.770 20 0 EHADRM C[C@@H](CNC(=O)Nc1ccc(NC(=O)[O-])cc1)Oc1ccccc1F ZINC000824940448 603309973 /nfs/dbraw/zinc/30/99/73/603309973.db2.gz ZBFWKHLDHXKMCD-NSHDSACASA-N -1 0 347.346 3.505 20 0 EHADRM C[C@H](CNC(=O)Nc1ccc(NC(=O)[O-])cc1)Cc1cccs1 ZINC000824939508 603310232 /nfs/dbraw/zinc/31/02/32/603310232.db2.gz MBQUFKDAAKYUFP-NSHDSACASA-N -1 0 333.413 3.838 20 0 EHADRM Cc1ccc(CC[C@H](C)NC(=O)Nc2ccc(NC(=O)[O-])cc2)o1 ZINC000830297056 603311543 /nfs/dbraw/zinc/31/15/43/603311543.db2.gz WLASBZVTBLSWDP-NSHDSACASA-N -1 0 331.372 3.821 20 0 EHADRM Cc1cnc([C@@H](NC(=O)Nc2ccc(NC(=O)[O-])cc2)C2CC2)s1 ZINC000830624629 603311680 /nfs/dbraw/zinc/31/16/80/603311680.db2.gz KNZOKNJYPHBQCD-ZDUSSCGKSA-N -1 0 346.412 3.814 20 0 EHADRM C[C@H]1Cc2ccccc2CN1C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000826093665 603327727 /nfs/dbraw/zinc/32/77/27/603327727.db2.gz JMVPCNUKJNBTLG-NSHDSACASA-N -1 0 343.358 3.894 20 0 EHADRM CN(Cc1ccccc1NC(=O)N(C)Cc1ccc(F)cc1)C(=O)[O-] ZINC000739712589 603334090 /nfs/dbraw/zinc/33/40/90/603334090.db2.gz GKJFOIDWOJPWSY-UHFFFAOYSA-N -1 0 345.374 3.599 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccccc2CN(C)C(=O)[O-])c2ccccc21 ZINC000739144492 603335890 /nfs/dbraw/zinc/33/58/90/603335890.db2.gz JCPWIEYSLBTPNF-ZDUSSCGKSA-N -1 0 339.395 3.952 20 0 EHADRM CN(Cc1ccccc1NC(=O)N(C)Cc1cccc(F)c1)C(=O)[O-] ZINC000739716603 603338002 /nfs/dbraw/zinc/33/80/02/603338002.db2.gz YFBVPJXLXHGGTA-UHFFFAOYSA-N -1 0 345.374 3.599 20 0 EHADRM CN(Cc1ccccc1NC(=O)N1CCC[C@@H]1c1ccco1)C(=O)[O-] ZINC000739712571 603339272 /nfs/dbraw/zinc/33/92/72/603339272.db2.gz FWBDDHRMJFNEBN-OAHLLOKOSA-N -1 0 343.383 3.758 20 0 EHADRM COCc1cccc(NC(=O)Nc2ccccc2CN(C)C(=O)[O-])c1 ZINC000739843189 603339856 /nfs/dbraw/zinc/33/98/56/603339856.db2.gz NNEMQWNWORJITI-UHFFFAOYSA-N -1 0 343.383 3.587 20 0 EHADRM CC(C)[C@H](CC1CCCCC1)C(=O)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000738773167 603343193 /nfs/dbraw/zinc/34/31/93/603343193.db2.gz IAYIENZGKXUEER-HYVNUMGLSA-N -1 0 338.492 3.734 20 0 EHADRM COc1ccc(Cl)cc1CNC(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000829403975 603343477 /nfs/dbraw/zinc/34/34/77/603343477.db2.gz GAZKZNQYRRDURM-UHFFFAOYSA-N -1 0 348.786 3.677 20 0 EHADRM CCN(Cc1ccccc1NC(=O)N(C)CC1CCCC1)C(=O)[O-] ZINC000739443289 603351033 /nfs/dbraw/zinc/35/10/33/603351033.db2.gz IVRJJMGHJOVVHG-UHFFFAOYSA-N -1 0 333.432 3.840 20 0 EHADRM C[C@H](c1cccs1)N(C)C(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823654563 603351722 /nfs/dbraw/zinc/35/17/22/603351722.db2.gz KQEHHGHLXUQEAC-ZENOOKHLSA-N -1 0 346.452 3.913 20 0 EHADRM C[C@@H](CC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1)NC(=O)[O-] ZINC000824564244 603370451 /nfs/dbraw/zinc/37/04/51/603370451.db2.gz GVBSADCWHFEYNO-VIFPVBQESA-N -1 0 345.226 3.531 20 0 EHADRM Cc1ccc(CNC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)s1 ZINC000830317886 603379165 /nfs/dbraw/zinc/37/91/65/603379165.db2.gz SPRDRAQVMVFKJF-NSHDSACASA-N -1 0 333.413 3.707 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000825426650 603385847 /nfs/dbraw/zinc/38/58/47/603385847.db2.gz HVLUKGJNBNSBHX-QWHCGFSZSA-N -1 0 327.384 3.898 20 0 EHADRM CC(C)(NC(=O)[O-])C(=O)Nc1cccc(CSC2CCCC2)c1 ZINC000736333319 603388305 /nfs/dbraw/zinc/38/83/05/603388305.db2.gz QLATUBJQCBDFSF-UHFFFAOYSA-N -1 0 336.457 3.847 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])c1noc(Cc2c[nH]c3ccc(F)cc23)n1 ZINC000738825580 603394464 /nfs/dbraw/zinc/39/44/64/603394464.db2.gz YKBJTFQMYWVLDR-CQSZACIVSA-N -1 0 346.362 3.636 20 0 EHADRM Cc1cc2cc(C(=O)N3CCC[C@H](CN(C)C(=O)[O-])C3)oc2cc1C ZINC000830144942 603404284 /nfs/dbraw/zinc/40/42/84/603404284.db2.gz ZGUPURUPNDJJMQ-CQSZACIVSA-N -1 0 344.411 3.512 20 0 EHADRM C[C@H](C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2)c1cccc(F)c1 ZINC000738630608 603418897 /nfs/dbraw/zinc/41/88/97/603418897.db2.gz LGSAZNLFRRHAJV-LBPRGKRZSA-N -1 0 342.370 3.604 20 0 EHADRM C[C@@H](C(=O)N1CCCN(C(=O)[O-])c2ccccc21)c1cccs1 ZINC000738618581 603430628 /nfs/dbraw/zinc/43/06/28/603430628.db2.gz UEBNOHJASLOYAH-GFCCVEGCSA-N -1 0 330.409 3.773 20 0 EHADRM C[C@@H](Cc1ccccc1)C(=O)N1CCCN(C(=O)[O-])c2ccccc21 ZINC000738940537 603430761 /nfs/dbraw/zinc/43/07/61/603430761.db2.gz BEXMMPOZVPCIQZ-HNNXBMFYSA-N -1 0 338.407 3.787 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)Nc2ccc3oc4ccccc4c3c2)C1 ZINC000832288001 603431231 /nfs/dbraw/zinc/43/12/31/603431231.db2.gz QGEBEIRAHDNQOH-VXGBXAGGSA-N -1 0 338.363 3.961 20 0 EHADRM Cc1ccc(C(=O)OCc2ccc3ncccc3c2)cc1NC(=O)[O-] ZINC000830244720 603436069 /nfs/dbraw/zinc/43/60/69/603436069.db2.gz FOZNECGKFBFKCS-UHFFFAOYSA-N -1 0 336.347 3.990 20 0 EHADRM C[C@H](C(=O)OCC1(C(F)(F)F)CC1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823731081 603453488 /nfs/dbraw/zinc/45/34/88/603453488.db2.gz IPDRGUARSRJGND-CMPLNLGQSA-N -1 0 345.317 3.517 20 0 EHADRM CCC1(CC)CCN(C(=O)Nc2ccc(OC)c(NC(=O)[O-])c2)C1 ZINC000826650658 603465825 /nfs/dbraw/zinc/46/58/25/603465825.db2.gz UORYJINHVFEDJO-UHFFFAOYSA-N -1 0 335.404 3.829 20 0 EHADRM CC(C)c1nn(C)c(Cl)c1C(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000737655774 603474455 /nfs/dbraw/zinc/47/44/55/603474455.db2.gz XDKUYKIZJVFRFA-UHFFFAOYSA-N -1 0 337.763 3.506 20 0 EHADRM Cc1ccc(NC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)c(C)n1 ZINC000830390017 603480595 /nfs/dbraw/zinc/48/05/95/603480595.db2.gz ASTQWGXCXQMZIO-LLVKDONJSA-N -1 0 328.372 3.671 20 0 EHADRM COc1ccc(CCC(=O)Oc2cccc(NC(=O)[O-])c2)cc1Cl ZINC000829339754 603484832 /nfs/dbraw/zinc/48/48/32/603484832.db2.gz BXZMGXVTTDHXOX-UHFFFAOYSA-N -1 0 349.770 3.977 20 0 EHADRM CCCCOc1ccc(NC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)c(C)c1 ZINC000826842066 603508003 /nfs/dbraw/zinc/50/80/03/603508003.db2.gz IEZJKWTUHSMVNL-KBPBESRZSA-N -1 0 334.416 3.549 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N(C)C1CCCCC1 ZINC000829168358 603524826 /nfs/dbraw/zinc/52/48/26/603524826.db2.gz YIHQKIJOCSEZPM-UHFFFAOYSA-N -1 0 340.807 3.843 20 0 EHADRM Cc1ccc(C(=O)N2CCCc3cccc(F)c32)cc1NC(=O)[O-] ZINC000830191941 603531641 /nfs/dbraw/zinc/53/16/41/603531641.db2.gz GXVXCVTVMNBFQX-UHFFFAOYSA-N -1 0 328.343 3.817 20 0 EHADRM CC[C@H](NC(=O)[O-])C(=O)Nc1cccc(COC(C)(C)CC)c1C ZINC000827531958 603584185 /nfs/dbraw/zinc/58/41/85/603584185.db2.gz PHOAHOUPEYTJID-AWEZNQCLSA-N -1 0 336.432 3.685 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000825860453 603587814 /nfs/dbraw/zinc/58/78/14/603587814.db2.gz JVRLAQXVGUBDDQ-JKIFEVAISA-N -1 0 345.443 3.981 20 0 EHADRM CCc1ccc([C@@H](C)NC(=O)N(C)C2CCC(NC(=O)[O-])CC2)cc1 ZINC000827578323 603612872 /nfs/dbraw/zinc/61/28/72/603612872.db2.gz YGJIDOPXDRCMCZ-NVPAJSRCSA-N -1 0 347.459 3.530 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)Nc2ccc(COC3CCCC3)cc2)C1 ZINC000832288557 603658604 /nfs/dbraw/zinc/65/86/04/603658604.db2.gz UNZNALPVNVYQTM-GDBMZVCRSA-N -1 0 346.427 3.521 20 0 EHADRM Cc1cccc2sc(C(=O)NCC(C)(C)NC(=O)[O-])c(Cl)c21 ZINC000830544885 603669288 /nfs/dbraw/zinc/66/92/88/603669288.db2.gz FYGXGQDCGONGNU-UHFFFAOYSA-N -1 0 340.832 3.639 20 0 EHADRM CCC[C@@H](NC(=O)[O-])C(=O)Nc1ccccc1CCC(F)(F)F ZINC000826759460 603726600 /nfs/dbraw/zinc/72/66/00/603726600.db2.gz ZQYHPCNWIQLKBG-GFCCVEGCSA-N -1 0 332.322 3.556 20 0 EHADRM CCN(CC1CCN(C(=O)c2csc3ccccc23)CC1)C(=O)[O-] ZINC000827089691 603754868 /nfs/dbraw/zinc/75/48/68/603754868.db2.gz QPSUWRHEPQDSDR-UHFFFAOYSA-N -1 0 346.452 3.753 20 0 EHADRM Cc1ccc(C(=O)N2CCS[C@@H]3CCCC[C@H]32)cc1NC(=O)[O-] ZINC000830198363 603778626 /nfs/dbraw/zinc/77/86/26/603778626.db2.gz KWUYMZACICBLDV-HUUCEWRRSA-N -1 0 334.441 3.585 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)c1nc(C2(NC(=O)[O-])CCC2)no1 ZINC000826631307 603879366 /nfs/dbraw/zinc/87/93/66/603879366.db2.gz HTOCANWRODPRIK-CYBMUJFWSA-N -1 0 331.372 3.555 20 0 EHADRM CCc1ccc(O)c(NC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000827590002 603896167 /nfs/dbraw/zinc/89/61/67/603896167.db2.gz VTFSNHIPHWUEKV-YVEFUNNKSA-N -1 0 342.395 3.538 20 0 EHADRM C[C@@]1(C(=O)Nc2cccc(CCC(F)(F)F)c2)CCN(C(=O)[O-])C1 ZINC000825684303 603927767 /nfs/dbraw/zinc/92/77/67/603927767.db2.gz DOVCQLCBDDGLDV-OAHLLOKOSA-N -1 0 344.333 3.510 20 0 EHADRM C[C@]1(C(=O)Nc2cccc(CCC(F)(F)F)c2)CCN(C(=O)[O-])C1 ZINC000825684302 603928080 /nfs/dbraw/zinc/92/80/80/603928080.db2.gz DOVCQLCBDDGLDV-HNNXBMFYSA-N -1 0 344.333 3.510 20 0 EHADRM O=C([O-])N1CCC[C@@H]1CC(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000831340056 603928843 /nfs/dbraw/zinc/92/88/43/603928843.db2.gz PJRVFRRWNIASCQ-CYBMUJFWSA-N -1 0 344.333 3.653 20 0 EHADRM C[C@H](C(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccc(Cl)s1 ZINC000823712861 603935611 /nfs/dbraw/zinc/93/56/11/603935611.db2.gz KVKWDJUXCGWTHK-VIFPVBQESA-N -1 0 338.816 3.911 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Nc2cccc(CNC(=O)[O-])c2)cc1 ZINC000829291551 603936242 /nfs/dbraw/zinc/93/62/42/603936242.db2.gz BXRCZJPSBKAKFL-CYBMUJFWSA-N -1 0 342.395 3.595 20 0 EHADRM COc1ccc(COC(=O)c2ccc(C)c(NC(=O)[O-])c2)cc1F ZINC000829396500 603952855 /nfs/dbraw/zinc/95/28/55/603952855.db2.gz JLAWROIDIVRXPY-UHFFFAOYSA-N -1 0 333.315 3.590 20 0 EHADRM CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000824346777 603979569 /nfs/dbraw/zinc/97/95/69/603979569.db2.gz OCEQHVXFKVVUOA-HIFRSBDPSA-N -1 0 338.835 3.513 20 0 EHADRM Cc1ccccc1[C@H](C(C)C)N(C)C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000830555786 603980265 /nfs/dbraw/zinc/98/02/65/603980265.db2.gz ZQHVRVHVQSWYTC-UXLLHSPISA-N -1 0 332.444 3.587 20 0 EHADRM CCc1cccc(C)c1NC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000827595541 603983103 /nfs/dbraw/zinc/98/31/03/603983103.db2.gz NHBISASWRYLLAW-VHRNVKJDSA-N -1 0 330.428 3.807 20 0 EHADRM CCS[C@H]1CCC[C@H]1NC(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000827504283 603986894 /nfs/dbraw/zinc/98/68/94/603986894.db2.gz SVXRMNHMHLVFLZ-HIFRSBDPSA-N -1 0 349.456 3.523 20 0 EHADRM O=C(/C=C/SCc1ccco1)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000831292185 604045169 /nfs/dbraw/zinc/04/51/69/604045169.db2.gz KIDMKESIJLPRLP-RMKNXTFCSA-N -1 0 344.392 3.706 20 0 EHADRM Cc1ccccc1-c1cnc(CN2CCCC[C@@H]2[C@@H](C)NC(=O)[O-])o1 ZINC000830546801 604048458 /nfs/dbraw/zinc/04/84/58/604048458.db2.gz ZDSMRYRMANEOFS-GDBMZVCRSA-N -1 0 343.427 3.661 20 0 EHADRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)Nc2cccc3ccccc32)C1 ZINC000825235083 604061112 /nfs/dbraw/zinc/06/11/12/604061112.db2.gz BYBRHNUBVWYCDJ-DZGCQCFKSA-N -1 0 341.411 3.740 20 0 EHADRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)Nc2cccc(C(F)F)c2)C1 ZINC000825236031 604081596 /nfs/dbraw/zinc/08/15/96/604081596.db2.gz KGRZGPMVXLJKFP-PWSUYJOCSA-N -1 0 341.358 3.524 20 0 EHADRM CO[C@@H](C)c1nc(CN2CCCN(C(=O)[O-])c3ccccc32)cs1 ZINC000828830344 604094114 /nfs/dbraw/zinc/09/41/14/604094114.db2.gz KKDNPRDNUVKVOD-LBPRGKRZSA-N -1 0 347.440 3.745 20 0 EHADRM CSc1ccccc1NC(=O)N(C)CC[C@H](NC(=O)[O-])C(C)C ZINC000829771702 604119757 /nfs/dbraw/zinc/11/97/57/604119757.db2.gz FJXLLGUCLYJASW-LBPRGKRZSA-N -1 0 339.461 3.555 20 0 EHADRM CCN(Cc1cccs1)C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000737108616 604190022 /nfs/dbraw/zinc/19/00/22/604190022.db2.gz XSHJWAQSFZTENW-UHFFFAOYSA-N -1 0 347.440 3.612 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)N(CC(F)(F)F)C2CCCC2)cc1 ZINC000832840872 604202833 /nfs/dbraw/zinc/20/28/33/604202833.db2.gz MPEHYWDEXOHIBQ-UHFFFAOYSA-N -1 0 344.333 3.653 20 0 EHADRM O=C([O-])N[C@@H]1CC[C@H](C(=O)Oc2ccccc2-c2ccccc2)C1 ZINC000832312930 604220069 /nfs/dbraw/zinc/22/00/69/604220069.db2.gz NYFVKWNIKQFGSS-LSDHHAIUSA-N -1 0 325.364 3.695 20 0 EHADRM C[C@H](CC1CCCC1)C(=O)N1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000824759728 604243178 /nfs/dbraw/zinc/24/31/78/604243178.db2.gz OUGDDWONJLFDQJ-CQSZACIVSA-N -1 0 336.476 3.584 20 0 EHADRM COc1ccc(C(C)=O)c(OC(=O)c2ccc(C)c(NC(=O)[O-])c2)c1 ZINC000829292682 604255888 /nfs/dbraw/zinc/25/58/88/604255888.db2.gz GIGLDSNLJCHPPU-UHFFFAOYSA-N -1 0 343.335 3.515 20 0 EHADRM C/C=C(/C=C/C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)CC ZINC000828541313 604265421 /nfs/dbraw/zinc/26/54/21/604265421.db2.gz DNPXHEOEVXAALJ-ZVBUZHGDSA-N -1 0 325.311 3.837 20 0 EHADRM Cc1cccc(C(C)C)c1NC(=O)NC1(CNC(=O)[O-])CCCC1 ZINC000830473401 604283946 /nfs/dbraw/zinc/28/39/46/604283946.db2.gz WFTAMUKULKJXHH-UHFFFAOYSA-N -1 0 333.432 3.820 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCc1ccc(-c2ccccc2)o1 ZINC000832845615 604288531 /nfs/dbraw/zinc/28/85/31/604288531.db2.gz JLEKGRRNZIMXOC-UHFFFAOYSA-N -1 0 338.363 3.520 20 0 EHADRM CCC1(CC)[C@H](NC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)C[C@H]1OC ZINC000829050288 604326919 /nfs/dbraw/zinc/32/69/19/604326919.db2.gz OJPMREDONRETHE-HUUCEWRRSA-N -1 0 349.431 3.516 20 0 EHADRM C[C@@H](NCc1ccc(C(=O)[O-])o1)c1nc(-c2ccccc2)cs1 ZINC000827741955 604331802 /nfs/dbraw/zinc/33/18/02/604331802.db2.gz YGPOUCJWDHHUFJ-LLVKDONJSA-N -1 0 328.393 3.952 20 0 EHADRM C[C@H](CC(=O)N1CCc2ccccc2[C@@H]1C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824607281 604341664 /nfs/dbraw/zinc/34/16/64/604341664.db2.gz WUBMVTBXAUXMGY-HLLBOEOZSA-N -1 0 344.455 3.549 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1ccc(C)c(-c2ncco2)c1 ZINC000832948351 604341910 /nfs/dbraw/zinc/34/19/10/604341910.db2.gz HOYJKOSJEGPARF-UHFFFAOYSA-N -1 0 339.351 3.545 20 0 EHADRM Cc1cccc(C)c1CNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000832964028 604348753 /nfs/dbraw/zinc/34/87/53/604348753.db2.gz CVCJTSPHAZRLPH-UHFFFAOYSA-N -1 0 340.423 3.987 20 0 EHADRM Cc1ccc(NC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c(C)n1 ZINC000832948101 604353914 /nfs/dbraw/zinc/35/39/14/604353914.db2.gz ZKIOUUOTRZVJAM-INIZCTEOSA-N -1 0 341.411 3.672 20 0 EHADRM Cc1cc(C(=O)Nc2nc(-c3ccc(C(=O)[O-])cc3)cs2)oc1C ZINC000832866419 604375604 /nfs/dbraw/zinc/37/56/04/604375604.db2.gz BHOHVKYNMWZMPL-UHFFFAOYSA-N -1 0 342.376 3.970 20 0 EHADRM CN(C(=O)c1ccc(-c2ccco2)s1)c1ccccc1C(=O)[O-] ZINC000830524034 604378526 /nfs/dbraw/zinc/37/85/26/604378526.db2.gz SFJJXGTVDCRBRO-UHFFFAOYSA-N -1 0 327.361 3.983 20 0 EHADRM Cc1ccc(C)c(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c1 ZINC000832925829 604380730 /nfs/dbraw/zinc/38/07/30/604380730.db2.gz FDGBZTFBKXCPDW-KRWDZBQOSA-N -1 0 325.408 3.885 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1ccc(F)cc1F)c1ccccc1 ZINC000826102831 604382954 /nfs/dbraw/zinc/38/29/54/604382954.db2.gz JLEQRXCWYJWRGW-OAHLLOKOSA-N -1 0 333.334 3.547 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1cc2ccccn2c1)c1ccccc1 ZINC000826102993 604385556 /nfs/dbraw/zinc/38/55/56/604385556.db2.gz LRLIISSMVKAUSN-KRWDZBQOSA-N -1 0 336.391 3.521 20 0 EHADRM C[C@@H](C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])c1ccsc1 ZINC000825995357 604386784 /nfs/dbraw/zinc/38/67/84/604386784.db2.gz OHEQKVIAQJFRIF-IUODEOHRSA-N -1 0 331.437 3.820 20 0 EHADRM CCCc1ncc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])s1 ZINC000829570944 604392122 /nfs/dbraw/zinc/39/21/22/604392122.db2.gz LSNNDQYCMRCJQL-HNNXBMFYSA-N -1 0 346.452 3.678 20 0 EHADRM CCOCCC1(C(=O)Nc2cccc3c2CCN3C(=O)[O-])CCCC1 ZINC000827394015 604393050 /nfs/dbraw/zinc/39/30/50/604393050.db2.gz KKCBNANFJOLLGC-UHFFFAOYSA-N -1 0 346.427 3.653 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1O ZINC000833226691 604396102 /nfs/dbraw/zinc/39/61/02/604396102.db2.gz VRPHXDXUTVZSIF-UHFFFAOYSA-N -1 0 347.798 3.553 20 0 EHADRM CCCOc1cc(F)ccc1NC(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000826936237 604410151 /nfs/dbraw/zinc/41/01/51/604410151.db2.gz ZXPXILFKVLQMTG-UHFFFAOYSA-N -1 0 346.358 3.886 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)[C@H](C)Oc1ccccc1 ZINC000829021102 604428777 /nfs/dbraw/zinc/42/87/77/604428777.db2.gz ODSKDKREWVNFSX-YJBOKZPZSA-N -1 0 341.407 3.518 20 0 EHADRM CSc1ccc(C(=O)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1 ZINC000829760837 604457110 /nfs/dbraw/zinc/45/71/10/604457110.db2.gz RKJXEOXYIIVSOQ-GFCCVEGCSA-N -1 0 344.436 3.667 20 0 EHADRM CC(C)Cc1ccc(CCCC(=O)N2CCC[C@H]2CC(=O)[O-])cc1 ZINC000833494515 604465527 /nfs/dbraw/zinc/46/55/27/604465527.db2.gz RYDDOJJOQUVVJI-SFHVURJKSA-N -1 0 331.456 3.674 20 0 EHADRM C[C@H](COc1ccccc1)C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000825008958 604476741 /nfs/dbraw/zinc/47/67/41/604476741.db2.gz NNGKAMSAVUUITE-ZIAGYGMSSA-N -1 0 342.395 3.669 20 0 EHADRM O=C([O-])c1csc(NC(=O)NCc2ccc(C(F)(F)F)cc2)c1 ZINC000833144765 604493187 /nfs/dbraw/zinc/49/31/87/604493187.db2.gz RERQOSUTKJYLGT-UHFFFAOYSA-N -1 0 344.314 3.787 20 0 EHADRM CC1(C)C[C@@H](NC(=O)Nc2cc(C(=O)[O-])cs2)c2ccccc2O1 ZINC000828055322 604493672 /nfs/dbraw/zinc/49/36/72/604493672.db2.gz BBNPHSPWHLNFQT-GFCCVEGCSA-N -1 0 346.408 3.870 20 0 EHADRM O=C([O-])c1csc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000833343103 604501817 /nfs/dbraw/zinc/50/18/17/604501817.db2.gz WPBRXXISLTXJSP-ZDUSSCGKSA-N -1 0 334.372 3.954 20 0 EHADRM CC[C@H](NC(=O)Nc1cc(C(=O)[O-])cs1)c1ccc(F)cc1F ZINC000828951211 604509437 /nfs/dbraw/zinc/50/94/37/604509437.db2.gz GBNOQQSTQATWOY-LBPRGKRZSA-N -1 0 340.351 3.997 20 0 EHADRM Cc1ccc(C[C@H](C)N(C)C(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000832929367 604514113 /nfs/dbraw/zinc/51/41/13/604514113.db2.gz TWXBNGNASCORGL-LBPRGKRZSA-N -1 0 332.425 3.850 20 0 EHADRM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(C)c(NC(=O)[O-])c2)C12CCC2 ZINC000827381318 604518580 /nfs/dbraw/zinc/51/85/80/604518580.db2.gz RGTYUNLXDQMFII-CVEARBPZSA-N -1 0 346.427 3.505 20 0 EHADRM O=C([O-])c1csc(NC(=O)N2CCC[C@@H](Oc3ccccc3)C2)c1 ZINC000833342408 604519921 /nfs/dbraw/zinc/51/99/21/604519921.db2.gz KTAWKPCJXPSZMM-CQSZACIVSA-N -1 0 346.408 3.522 20 0 EHADRM CC[C@]1(C)CCN(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000829044102 604520177 /nfs/dbraw/zinc/52/01/77/604520177.db2.gz LJAFPGCUYITUEN-DNVCBOLYSA-N -1 0 332.444 3.670 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1cc(-c2ccccn2)ccc1Cl)C(=O)[O-] ZINC000683306179 604522203 /nfs/dbraw/zinc/52/22/03/604522203.db2.gz AHQFFGBCRVIDST-OAHLLOKOSA-N -1 0 346.814 3.631 20 0 EHADRM CC(C)(CCC(=O)[O-])NC(=O)c1cc(-c2ccccn2)ccc1Cl ZINC000262752366 604526158 /nfs/dbraw/zinc/52/61/58/604526158.db2.gz JAAMXJIMQAEEEH-UHFFFAOYSA-N -1 0 346.814 3.775 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)N1CCCCCCC1)c1ccccc1 ZINC000826096676 604531568 /nfs/dbraw/zinc/53/15/68/604531568.db2.gz ZIMWQFRZJJIXGE-MRXNPFEDSA-N -1 0 332.444 3.814 20 0 EHADRM CC(C)[C@@H]1CCN(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC000826735889 604531600 /nfs/dbraw/zinc/53/16/00/604531600.db2.gz JOYDDIUDIWAKAW-HZPDHXFCSA-N -1 0 332.444 3.526 20 0 EHADRM Cc1cc([C@H](C)OC(=O)C2(c3ccc(F)cc3)CC2)oc1C(=O)[O-] ZINC000832871224 604560242 /nfs/dbraw/zinc/56/02/42/604560242.db2.gz ABJNOVOVNRQVLK-NSHDSACASA-N -1 0 332.327 3.761 20 0 EHADRM C/C(=C\C(=O)N1CCC[C@H]1CC(=O)[O-])c1ccccc1C(F)(F)F ZINC000825716293 604564597 /nfs/dbraw/zinc/56/45/97/604564597.db2.gz BOPYJUFASXOJBJ-ZKQHCESOSA-N -1 0 341.329 3.574 20 0 EHADRM CC(C)[C@H](C(=O)NCc1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000833466515 604565898 /nfs/dbraw/zinc/56/58/98/604565898.db2.gz ZTQQZFYIEKYGFR-KRWDZBQOSA-N -1 0 329.371 3.580 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2c(Cl)nc3ccccn32)oc1C(=O)[O-] ZINC000832872136 604566397 /nfs/dbraw/zinc/56/63/97/604566397.db2.gz MMBHFDBEAISDRI-VIFPVBQESA-N -1 0 348.742 3.505 20 0 EHADRM CCc1c(C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)[nH]c(C)c1C(C)=O ZINC000830208856 604570071 /nfs/dbraw/zinc/57/00/71/604570071.db2.gz BAMPAUFBQMMMOX-NSHDSACASA-N -1 0 347.367 3.606 20 0 EHADRM Cc1nc(CC(C)C)c(NC(=O)Cc2ccc(NC(=O)[O-])cc2)s1 ZINC000830741590 604573242 /nfs/dbraw/zinc/57/32/42/604573242.db2.gz LFXIWOGDTAUCBK-UHFFFAOYSA-N -1 0 347.440 3.921 20 0 EHADRM C[C@@H]1CC[C@@H](CCC(=O)Nc2cccc(SCCC(=O)[O-])c2)O1 ZINC000833604230 604574836 /nfs/dbraw/zinc/57/48/36/604574836.db2.gz RNSHVLABXBFUSU-OCCSQVGLSA-N -1 0 337.441 3.540 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)[C@H](C)Cc2ccc(F)cc2)oc1C(=O)[O-] ZINC000832873653 604575463 /nfs/dbraw/zinc/57/54/63/604575463.db2.gz HOQHVIDJDQSNGP-VXGBXAGGSA-N -1 0 334.343 3.908 20 0 EHADRM C[C@@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)[C@H]1C ZINC000833614186 604581530 /nfs/dbraw/zinc/58/15/30/604581530.db2.gz KULLYOUTSBSGIJ-KGLIPLIRSA-N -1 0 345.443 3.637 20 0 EHADRM Cc1cccc2sc(C(=O)N3CCC[C@H]3CC(=O)[O-])c(Cl)c21 ZINC000653646713 604582395 /nfs/dbraw/zinc/58/23/95/604582395.db2.gz XJAMAJNFKHINSY-JTQLQIEISA-N -1 0 337.828 3.942 20 0 EHADRM C/C(=C/C(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000825717059 604585276 /nfs/dbraw/zinc/58/52/76/604585276.db2.gz SBKAIAPAHNCFAG-RBJHHQRMSA-N -1 0 341.329 3.574 20 0 EHADRM Cc1cc([C@H](C)OC(=O)C[C@H](C)C(=O)c2ccccc2)oc1C(=O)[O-] ZINC000832875894 604586602 /nfs/dbraw/zinc/58/66/02/604586602.db2.gz PGQFWWUWFBHAAN-AAEUAGOBSA-N -1 0 344.363 3.800 20 0 EHADRM C[C@@H]1CC[C@H](C)N(C(=O)Nc2cccc(CSCC(=O)[O-])c2)C1 ZINC000833601774 604587700 /nfs/dbraw/zinc/58/77/00/604587700.db2.gz FTTPKWGUYMMNDB-OLZOCXBDSA-N -1 0 336.457 3.657 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3CCC[C@@H]3CC(=O)[O-])c(F)c2)cc1 ZINC000263033732 604591591 /nfs/dbraw/zinc/59/15/91/604591591.db2.gz VCUAHNCGWKKSLZ-MRXNPFEDSA-N -1 0 341.382 3.880 20 0 EHADRM CC1=CCN(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)CC1 ZINC000833578362 604593948 /nfs/dbraw/zinc/59/39/48/604593948.db2.gz GXEHGVKFJCUTPD-UHFFFAOYSA-N -1 0 334.441 3.578 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000261918007 604594581 /nfs/dbraw/zinc/59/45/81/604594581.db2.gz RDAVIWYJIXGJJG-OAHLLOKOSA-N -1 0 325.364 3.558 20 0 EHADRM C/C(=C/COC(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1)C(=O)[O-] ZINC000825775511 604598621 /nfs/dbraw/zinc/59/86/21/604598621.db2.gz UDDRMKPQQONBOE-FLIBITNWSA-N -1 0 349.383 3.530 20 0 EHADRM CC(C)c1cc(C(=O)N2CCC[C@H]2CC(=O)[O-])c(O)c(C(C)C)c1 ZINC000827102241 604606438 /nfs/dbraw/zinc/60/64/38/604606438.db2.gz ZQVSAEAWWVEHTR-AWEZNQCLSA-N -1 0 333.428 3.718 20 0 EHADRM CS[C@H]1CCCCN(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000832747771 604618163 /nfs/dbraw/zinc/61/81/63/604618163.db2.gz LYUSUAQCQHGCKS-NSHDSACASA-N -1 0 342.848 3.788 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cccc(-c3c(F)cccc3F)c2)C1 ZINC000833553950 604644557 /nfs/dbraw/zinc/64/45/57/604644557.db2.gz IXMNAZOXEKCDLD-LJQANCHMSA-N -1 0 345.345 3.569 20 0 EHADRM CCC(CC)n1ccc(C(=O)N(CCC(=O)[O-])c2cccc(F)c2)n1 ZINC000828870731 604660776 /nfs/dbraw/zinc/66/07/76/604660776.db2.gz VREIONPMNLODRO-UHFFFAOYSA-N -1 0 347.390 3.505 20 0 EHADRM CCCCC[C@@H](NC(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccccc1 ZINC000829327169 604684957 /nfs/dbraw/zinc/68/49/57/604684957.db2.gz WNXNECKCLQKMNZ-IAGOWNOFSA-N -1 0 332.444 3.957 20 0 EHADRM Cc1cc([C@H](C)OC(=O)Cc2cc(F)c(F)cc2F)oc1C(=O)[O-] ZINC000832872355 604694119 /nfs/dbraw/zinc/69/41/19/604694119.db2.gz OFTKLYQRZPSJLY-QMMMGPOBSA-N -1 0 342.269 3.550 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Cc1ccc(F)cc1Cl)c1ccccc1 ZINC000826031891 604704012 /nfs/dbraw/zinc/70/40/12/604704012.db2.gz WFCCNEFZUSXJJF-PIGZYNQJSA-N -1 0 349.789 3.600 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N(C)C2(C(=O)[O-])CCCC2)c1 ZINC000315181453 604710463 /nfs/dbraw/zinc/71/04/63/604710463.db2.gz UGUPKHFGMRUKAT-UHFFFAOYSA-N -1 0 327.833 3.531 20 0 EHADRM CC(C)OCc1ccc(NC(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC000630290562 604720301 /nfs/dbraw/zinc/72/03/01/604720301.db2.gz MAICKTNSHRSMSE-UHFFFAOYSA-N -1 0 341.407 3.881 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)c2cc(C3CCCCC3)[nH]n2)cc1 ZINC000833685562 604721275 /nfs/dbraw/zinc/72/12/75/604721275.db2.gz NIEBRMLCXSKEOF-UHFFFAOYSA-N -1 0 342.399 3.824 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000262720328 604744365 /nfs/dbraw/zinc/74/43/65/604744365.db2.gz DROMGHDYZGSJMO-ZOBORPQBSA-N -1 0 333.403 3.551 20 0 EHADRM C[C@H]1CN(Cc2ccc(C(=O)[O-])cc2F)C[C@H](c2ccsc2)O1 ZINC000833630339 604762330 /nfs/dbraw/zinc/76/23/30/604762330.db2.gz ROYKBOHZJKDHLM-MEDUHNTESA-N -1 0 335.400 3.547 20 0 EHADRM Cc1cccc(-c2noc(CN3CC[C@@H](C(=O)[O-])c4ccccc43)n2)c1 ZINC000575737006 604773056 /nfs/dbraw/zinc/77/30/56/604773056.db2.gz ZQUDEWFIBFDUML-MRXNPFEDSA-N -1 0 349.390 3.624 20 0 EHADRM CC(C)[C@@H](OC(=O)CCc1ccccc1C(=O)[O-])c1ccccn1 ZINC000833470713 604777216 /nfs/dbraw/zinc/77/72/16/604777216.db2.gz BVSNDKMSGOLJFE-GOSISDBHSA-N -1 0 327.380 3.653 20 0 EHADRM O=C([O-])c1occc1CNc1cccc(OCc2cscn2)c1 ZINC000833785097 604778207 /nfs/dbraw/zinc/77/82/07/604778207.db2.gz CZJNWGYVMPOFKL-UHFFFAOYSA-N -1 0 330.365 3.625 20 0 EHADRM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Cc1ccccc1C(=O)[O-] ZINC000327948256 604780531 /nfs/dbraw/zinc/78/05/31/604780531.db2.gz JSPIHQQTEDHRMR-ZDUSSCGKSA-N -1 0 337.375 3.893 20 0 EHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)N(C)c1ncc(C(=O)[O-])s1 ZINC000833384975 604784328 /nfs/dbraw/zinc/78/43/28/604784328.db2.gz SGEXCUCSPOMELU-CLFYSBASSA-N -1 0 336.800 3.561 20 0 EHADRM CCc1noc(C)c1COc1cc(Br)cc(C(=O)[O-])c1 ZINC000700794277 604795055 /nfs/dbraw/zinc/79/50/55/604795055.db2.gz AKMZPGOTERMDIK-UHFFFAOYSA-N -1 0 340.173 3.585 20 0 EHADRM O=C([O-])Nc1ccc(CNC(=O)CNc2ccc3ccccc3c2)cc1 ZINC000833286488 604797662 /nfs/dbraw/zinc/79/76/62/604797662.db2.gz RSBWWTAJSNSMOO-UHFFFAOYSA-N -1 0 349.390 3.658 20 0 EHADRM Cc1csc([C@@H](Nc2nc(Cl)c(C(=O)[O-])s2)C2CC2)n1 ZINC000832989265 604801753 /nfs/dbraw/zinc/80/17/53/604801753.db2.gz VNINQYMZZUEGSI-ZETCQYMHSA-N -1 0 329.834 3.823 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)CCCC(F)(F)F)c1ccccc1 ZINC000833414054 604806865 /nfs/dbraw/zinc/80/68/65/604806865.db2.gz PRVLSOJFMRXTPW-ZDUSSCGKSA-N -1 0 331.334 3.687 20 0 EHADRM C[C@@H](CC(=O)N1CCc2ccc(C(=O)[O-])cc2C1)c1ccccc1F ZINC000262272902 604810835 /nfs/dbraw/zinc/81/08/35/604810835.db2.gz YHNMCXKRQFWZRU-ZDUSSCGKSA-N -1 0 341.382 3.602 20 0 EHADRM CN(CCCCc1ccccc1)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000830773131 604812689 /nfs/dbraw/zinc/81/26/89/604812689.db2.gz SNRLFDIFDAGFRY-UHFFFAOYSA-N -1 0 329.371 3.619 20 0 EHADRM Cc1ccc2cc(C(=O)N[C@@H](CCC(=O)[O-])c3ccccc3)ccc2n1 ZINC000832961813 604825837 /nfs/dbraw/zinc/82/58/37/604825837.db2.gz HIAFZCNFTBGCSO-SFHVURJKSA-N -1 0 348.402 3.879 20 0 EHADRM CC(C)(C)CN(CC(F)(F)F)C(=O)CCc1ccccc1C(=O)[O-] ZINC000833430885 604836243 /nfs/dbraw/zinc/83/62/43/604836243.db2.gz WWMFOANPRCULQV-UHFFFAOYSA-N -1 0 345.361 3.754 20 0 EHADRM Cc1cccc(C2=CCN(C(=O)NCCCCCCC(=O)[O-])CC2)c1 ZINC000833752204 604841376 /nfs/dbraw/zinc/84/13/76/604841376.db2.gz DEKMQXUJMLVDNU-UHFFFAOYSA-N -1 0 344.455 3.829 20 0 EHADRM C[C@@H](CSCc1ccccc1)C(=O)OCc1ccoc1C(=O)[O-] ZINC000827581581 604841688 /nfs/dbraw/zinc/84/16/88/604841688.db2.gz PATDCVDALALZFE-LBPRGKRZSA-N -1 0 334.393 3.591 20 0 EHADRM C[C@H](Cc1ccccc1)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000237549776 604844538 /nfs/dbraw/zinc/84/45/38/604844538.db2.gz DGEKJBFRGMFIKV-GFCCVEGCSA-N -1 0 347.798 3.621 20 0 EHADRM C[C@@H](NC(=O)[O-])C1CCN(C(=O)c2ccc(-c3ccco3)s2)CC1 ZINC000825287043 604846211 /nfs/dbraw/zinc/84/62/11/604846211.db2.gz HLHFZIBCEMYYLS-LLVKDONJSA-N -1 0 348.424 3.516 20 0 EHADRM CC(C)[C@@H](OC(=O)c1ccc(C(=O)[O-])c(F)c1)C(=O)c1ccccc1 ZINC000826723435 604853857 /nfs/dbraw/zinc/85/38/57/604853857.db2.gz UEWOBXYCNOFQSP-QGZVFWFLSA-N -1 0 344.338 3.588 20 0 EHADRM C[C@H](CC(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1F ZINC000669435691 604856532 /nfs/dbraw/zinc/85/65/32/604856532.db2.gz ORGBOAULCSASPJ-CZUORRHYSA-N -1 0 341.382 3.924 20 0 EHADRM CCOc1cc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)ccc1C ZINC000669435184 604856667 /nfs/dbraw/zinc/85/66/67/604856667.db2.gz XCMAGVWGFWDWSW-MRXNPFEDSA-N -1 0 339.391 3.612 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC000669435788 604860107 /nfs/dbraw/zinc/86/01/07/604860107.db2.gz RIXLVJQWDAKETD-KBXCAEBGSA-N -1 0 337.419 3.958 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)/C=C\c1ccccc1Cl)c1ccccc1 ZINC000320089308 604866340 /nfs/dbraw/zinc/86/63/40/604866340.db2.gz XDXPLSPFYZNGKM-BLIJAFNYSA-N -1 0 329.783 3.685 20 0 EHADRM CCCCOc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000013224264 604866974 /nfs/dbraw/zinc/86/69/74/604866974.db2.gz CSOJMAPPTIPGBT-SFHVURJKSA-N -1 0 341.407 3.811 20 0 EHADRM C[C@@H](CC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)Cc1ccc(Cl)cc1 ZINC000263253455 604870564 /nfs/dbraw/zinc/87/05/64/604870564.db2.gz KEQSWCWQXBAELT-CJNGLKHVSA-N -1 0 349.858 3.622 20 0 EHADRM O=C([O-])c1ccncc1C(=O)OCCCc1cccc2ccccc21 ZINC000833335353 604872882 /nfs/dbraw/zinc/87/28/82/604872882.db2.gz TULSNYMEKOXMFG-UHFFFAOYSA-N -1 0 335.359 3.723 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(c2ncnc3cc(Cl)ccc32)C1 ZINC000649405906 604874317 /nfs/dbraw/zinc/87/43/17/604874317.db2.gz TVUSYQXSUIKSCS-NSHDSACASA-N -1 0 333.819 3.610 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)C1 ZINC000679105374 604879377 /nfs/dbraw/zinc/87/93/77/604879377.db2.gz NPAXHVKCLPJQLZ-BMFZPTHFSA-N -1 0 349.858 3.793 20 0 EHADRM C[C@H]1CC(=O)c2c1c(F)ccc2OC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828148849 604880513 /nfs/dbraw/zinc/88/05/13/604880513.db2.gz DXDJQROPDRQDFC-QMMMGPOBSA-N -1 0 346.285 3.572 20 0 EHADRM C[C@@H](C(=O)O[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F)C(F)(F)F ZINC000833407617 604881336 /nfs/dbraw/zinc/88/13/36/604881336.db2.gz TZMWCJJWBBETID-RCOVLWMOSA-N -1 0 344.207 3.730 20 0 EHADRM Cc1c2cc(F)ccc2oc1C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000013427801 604882044 /nfs/dbraw/zinc/88/20/44/604882044.db2.gz CXOKMKHWQIEWMO-OAHLLOKOSA-N -1 0 341.338 3.826 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cccc(Cl)c2Cl)C1 ZINC000317036312 604883205 /nfs/dbraw/zinc/88/32/05/604883205.db2.gz APLCTBBFIBPAHN-SNVBAGLBSA-N -1 0 344.238 3.956 20 0 EHADRM CC(C)c1cc(Br)ccc1OC(=O)CCCNC(=O)[O-] ZINC000833508546 604887140 /nfs/dbraw/zinc/88/71/40/604887140.db2.gz KYRGCNFMWDTPRF-UHFFFAOYSA-N -1 0 344.205 3.526 20 0 EHADRM O=C([O-])[C@@H](OC(=O)[C@H]1CCCc2sccc21)c1ccccc1F ZINC000833351198 604888559 /nfs/dbraw/zinc/88/85/59/604888559.db2.gz OBWYALPDTXAEFZ-NHYWBVRUSA-N -1 0 334.368 3.676 20 0 EHADRM Cc1cc(F)ccc1C(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC000191200914 604888714 /nfs/dbraw/zinc/88/87/14/604888714.db2.gz FWYMMAGOTDAAKD-UHFFFAOYSA-N -1 0 329.371 3.641 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)N2CCc3ccc(F)cc3C2)cc1 ZINC000830513966 604893173 /nfs/dbraw/zinc/89/31/73/604893173.db2.gz LNWAPOALJNZPJZ-UHFFFAOYSA-N -1 0 343.358 3.530 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)[C@@H]2CCSc3ccccc32)C1 ZINC000833414486 604895767 /nfs/dbraw/zinc/89/57/67/604895767.db2.gz AHEJGDIVSZCYII-DZGCQCFKSA-N -1 0 347.480 3.615 20 0 EHADRM CCCC[C@H](CC)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000236871207 604899243 /nfs/dbraw/zinc/89/92/43/604899243.db2.gz DYFABFCAAQYGIT-NSHDSACASA-N -1 0 327.808 3.958 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(F)cc2C(F)(F)F)ccc1F ZINC000833299740 604916228 /nfs/dbraw/zinc/91/62/28/604916228.db2.gz HFBKRJRALAOZRH-UHFFFAOYSA-N -1 0 345.223 3.934 20 0 EHADRM CC1CC(C(=O)Nc2cc(Br)cc(C(=O)[O-])c2Cl)C1 ZINC000833589603 604944768 /nfs/dbraw/zinc/94/47/68/604944768.db2.gz LOMLKSRVZJRUJB-UHFFFAOYSA-N -1 0 346.608 3.785 20 0 EHADRM CC(C)CC[C@H]1CCCN1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000826845567 604946122 /nfs/dbraw/zinc/94/61/22/604946122.db2.gz XESCEJSNPGEYIA-OAHLLOKOSA-N -1 0 334.416 3.583 20 0 EHADRM O=C([O-])c1ccnc(-c2nc(=O)c3c(-c4ccccc4)csc3[nH]2)c1 ZINC000833334294 604972311 /nfs/dbraw/zinc/97/23/11/604972311.db2.gz DJBRFMQYPAOHJM-UHFFFAOYSA-N -1 0 349.371 3.824 20 0 EHADRM Cc1ccc([C@H](C)NC(=O)Nc2nc(CCC(=O)[O-])cs2)c(C)c1 ZINC000832921679 604980502 /nfs/dbraw/zinc/98/05/02/604980502.db2.gz UQUYRGIWRJPXJW-LBPRGKRZSA-N -1 0 347.440 3.660 20 0 EHADRM C[C@H]1CC[C@@H](COC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)O1 ZINC000833601649 604983820 /nfs/dbraw/zinc/98/38/20/604983820.db2.gz CWTAFEZRRTZXAZ-UFBFGSQYSA-N -1 0 347.289 3.520 20 0 EHADRM Cc1ccccc1[C@@H](C)N(C)C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000832976785 604989168 /nfs/dbraw/zinc/98/91/68/604989168.db2.gz DEWJJMVDSBXXRN-GFCCVEGCSA-N -1 0 347.440 3.694 20 0 EHADRM CC(C)(C)c1ccc(CCCC(=O)N[C@@H](CC(F)F)C(=O)[O-])cc1 ZINC000455890692 604990053 /nfs/dbraw/zinc/99/00/53/604990053.db2.gz BTCSHHUTMOJHIY-AWEZNQCLSA-N -1 0 341.398 3.531 20 0 EHADRM CC1=C(C(=O)[O-])C[C@@H](CSc2nnc(-c3ccc(C)cc3C)o2)O1 ZINC000833581506 604998572 /nfs/dbraw/zinc/99/85/72/604998572.db2.gz OXGDZDMMIHRUBC-LBPRGKRZSA-N -1 0 346.408 3.593 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Nc1scnc1C1CC1)c1ccccc1 ZINC000833411248 605020545 /nfs/dbraw/zinc/02/05/45/605020545.db2.gz ODZIOWZHUBJUDC-ZWNOBZJWSA-N -1 0 345.424 3.604 20 0 EHADRM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)NCCCCCCC(=O)[O-] ZINC000833617269 605021969 /nfs/dbraw/zinc/02/19/69/605021969.db2.gz QGSNNGKCYCPAGY-KDOFPFPSSA-N -1 0 332.444 3.644 20 0 EHADRM C[C@H](c1nc(-c2ccc(C(=O)[O-])cc2)no1)c1c(F)cccc1F ZINC000833550224 605025831 /nfs/dbraw/zinc/02/58/31/605025831.db2.gz LMYUYDFZPHAZAY-VIFPVBQESA-N -1 0 330.290 3.865 20 0 EHADRM C[C@@H](C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)c1c(F)cccc1F ZINC000833410266 605030327 /nfs/dbraw/zinc/03/03/27/605030327.db2.gz WMYIYDWARJSZSW-LLVKDONJSA-N -1 0 348.349 3.817 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)OCc1ccc(F)cc1Br ZINC000833454534 605034292 /nfs/dbraw/zinc/03/42/92/605034292.db2.gz CORWUGCKMJOEDI-UHFFFAOYSA-N -1 0 347.180 3.522 20 0 EHADRM CC(C)c1cc(C(=O)Oc2cc3ccccc3cc2C(=O)[O-])no1 ZINC000833509277 605041842 /nfs/dbraw/zinc/04/18/42/605041842.db2.gz JEILTBNBOMGPEN-UHFFFAOYSA-N -1 0 325.320 3.869 20 0 EHADRM CC(C)(Cc1ccccc1)C(=O)OCc1ccccc1CC(=O)[O-] ZINC000833461730 605055371 /nfs/dbraw/zinc/05/53/71/605055371.db2.gz IQYBPMWGWGLLAF-UHFFFAOYSA-N -1 0 326.392 3.626 20 0 EHADRM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)CCO1 ZINC000833470900 605074949 /nfs/dbraw/zinc/07/49/49/605074949.db2.gz MKPTZLSGFOVRFF-RDJZCZTQSA-N -1 0 348.443 3.576 20 0 EHADRM CC(C)[C@H]1C[C@H](CC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CCO1 ZINC000833470071 605077346 /nfs/dbraw/zinc/07/73/46/605077346.db2.gz GRJNRDBYTVNGJI-RHSMWYFYSA-N -1 0 347.455 3.829 20 0 EHADRM CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)s1 ZINC000191540025 605084432 /nfs/dbraw/zinc/08/44/32/605084432.db2.gz FNJNVUSAQKSOOC-AWEZNQCLSA-N -1 0 331.437 3.516 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC000833514860 605084887 /nfs/dbraw/zinc/08/48/87/605084887.db2.gz CSAMWFXSABFPPG-OAHLLOKOSA-N -1 0 326.392 3.878 20 0 EHADRM O=C([O-])c1occc1CNCc1ccccc1OCc1ccccc1 ZINC000311221516 605085675 /nfs/dbraw/zinc/08/56/75/605085675.db2.gz VFBPWYQSJLCORT-UHFFFAOYSA-N -1 0 337.375 3.847 20 0 EHADRM CCC(CC)(CNC(=O)Nc1ccc(COC(C)C)cc1)C(=O)[O-] ZINC000833641016 605095323 /nfs/dbraw/zinc/09/53/23/605095323.db2.gz ROKBPJXBETZBDA-UHFFFAOYSA-N -1 0 336.432 3.624 20 0 EHADRM CC(C)OC1CCC(NC(=O)Nc2cccc(NC(=O)[O-])c2)CC1 ZINC000833503388 605095694 /nfs/dbraw/zinc/09/56/94/605095694.db2.gz APTPYHULJAMEMN-UHFFFAOYSA-N -1 0 335.404 3.634 20 0 EHADRM CCC(CC)(CNC(=O)N1CC[C@H]1c1ccc(Cl)cc1)C(=O)[O-] ZINC000424437332 605096519 /nfs/dbraw/zinc/09/65/19/605096519.db2.gz YRLWAPYMFPGVMO-AWEZNQCLSA-N -1 0 338.835 3.687 20 0 EHADRM CCOc1ccc([C@@H]2CCCN2C(=O)C2CCC(C(=O)[O-])CC2)cc1 ZINC000194385482 605098103 /nfs/dbraw/zinc/09/81/03/605098103.db2.gz DQBAYRSGOIDURX-HTWSVDAQSA-N -1 0 345.439 3.640 20 0 EHADRM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000194382302 605109449 /nfs/dbraw/zinc/10/94/49/605109449.db2.gz QMTZATFJDUFSRO-NNGSBXSVSA-N -1 0 329.440 3.705 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NCC1(c2cccs2)CCCCC1 ZINC000190653515 605111267 /nfs/dbraw/zinc/11/12/67/605111267.db2.gz HPSIKRJKYONYGI-UHFFFAOYSA-N -1 0 337.485 3.957 20 0 EHADRM Cc1cc(OC(=O)CC(C)(C)CC(=O)[O-])ccc1Br ZINC000833747301 605111978 /nfs/dbraw/zinc/11/19/78/605111978.db2.gz VNRIVFKNSNXGJP-UHFFFAOYSA-N -1 0 329.190 3.554 20 0 EHADRM Cc1cccc([C@@H]2CCCCN2C(=O)c2cncc(C(=O)[O-])c2)c1C ZINC000630122619 605113387 /nfs/dbraw/zinc/11/33/87/605113387.db2.gz HULSDSDYXMXDTE-SFHVURJKSA-N -1 0 338.407 3.764 20 0 EHADRM C[C@H](OC(=O)C1CCC(C(=O)[O-])CC1)c1cnc2ccccc2c1 ZINC000833529850 605117376 /nfs/dbraw/zinc/11/73/76/605117376.db2.gz VLYXMJVLMFHWLL-HSBZDZAISA-N -1 0 327.380 3.730 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N1CC(Cc2ccccc2Cl)C1 ZINC000833783813 605124235 /nfs/dbraw/zinc/12/42/35/605124235.db2.gz SRVYIFDRJWJPIH-UHFFFAOYSA-N -1 0 344.798 3.745 20 0 EHADRM Cc1cc(Cl)ncc1NC(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000830050185 605146284 /nfs/dbraw/zinc/14/62/84/605146284.db2.gz HWAFVYKANQNJKS-ZDUSSCGKSA-N -1 0 347.802 3.771 20 0 EHADRM CC[C@@](NC(=O)c1cc(Cl)ccc1C)(C(=O)[O-])c1ccccc1 ZINC000439894174 605148902 /nfs/dbraw/zinc/14/89/02/605148902.db2.gz NNHUVTXHKFGHQL-SFHVURJKSA-N -1 0 331.799 3.768 20 0 EHADRM CC(C)(C)C[C@@H](Sc1nncn1-c1cccc(Cl)c1)C(=O)[O-] ZINC000833429273 605149347 /nfs/dbraw/zinc/14/93/47/605149347.db2.gz HUCKTIHJNIIFMN-GFCCVEGCSA-N -1 0 339.848 3.902 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)C1CCC(C(=O)[O-])CC1 ZINC000630294215 605150366 /nfs/dbraw/zinc/15/03/66/605150366.db2.gz HAIUVQJSHRNFBZ-MBZIKMLFSA-N -1 0 329.440 3.671 20 0 EHADRM C[C@H](Nc1ccc(CN(C)C(=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000833524770 605219154 /nfs/dbraw/zinc/21/91/54/605219154.db2.gz IPJAWEBOAHDQIA-ZDUSSCGKSA-N -1 0 342.395 3.741 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)c1cncc(-c2ccccc2)c1)C(=O)[O-] ZINC000833429529 605230252 /nfs/dbraw/zinc/23/02/52/605230252.db2.gz MDLQOOMYTFLOJW-MRXNPFEDSA-N -1 0 327.380 3.795 20 0 EHADRM CC(C)Oc1ccccc1[C@H](C)NC(=O)Cc1ccccc1C(=O)[O-] ZINC000392801635 605233404 /nfs/dbraw/zinc/23/34/04/605233404.db2.gz XEWYCLRBTWITEB-AWEZNQCLSA-N -1 0 341.407 3.592 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)Cc1ccccc1C(=O)[O-])c1ccc(F)cc1 ZINC000262285087 605233477 /nfs/dbraw/zinc/23/34/77/605233477.db2.gz VHGICXWHMXNRNN-SFHVURJKSA-N -1 0 343.398 3.970 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)/C=C\c1nc2ccccc2s1)C(=O)[O-] ZINC000833426673 605237503 /nfs/dbraw/zinc/23/75/03/605237503.db2.gz IDFMERBTBYXIBG-JLVNDZCYSA-N -1 0 333.409 3.742 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)c1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000833430321 605238478 /nfs/dbraw/zinc/23/84/78/605238478.db2.gz VNNRBGICJVLQIN-ZDUSSCGKSA-N -1 0 333.409 3.856 20 0 EHADRM O=C([O-])N1CCc2cccc(CNc3cccc(-n4cccn4)c3)c21 ZINC000832087175 605244054 /nfs/dbraw/zinc/24/40/54/605244054.db2.gz OECUVPZMAPJTDZ-UHFFFAOYSA-N -1 0 334.379 3.525 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N1CCCC[C@H]1CCc1ccccc1 ZINC000683334658 605265965 /nfs/dbraw/zinc/26/59/65/605265965.db2.gz CXFSWLOZRVTKHF-KRWDZBQOSA-N -1 0 331.456 3.891 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)[C@@H](CC)c1ccc(OC)cc1 ZINC000833680521 605276484 /nfs/dbraw/zinc/27/64/84/605276484.db2.gz KQRYFSMRZTUUIZ-HNNXBMFYSA-N -1 0 346.379 3.786 20 0 EHADRM CCOc1cc(C(=O)Nc2ccc(NC(=O)[O-])c(F)c2)ccc1C ZINC000833663514 605277529 /nfs/dbraw/zinc/27/75/29/605277529.db2.gz QFABXNBRXBLQBJ-UHFFFAOYSA-N -1 0 332.331 3.875 20 0 EHADRM C[C@H](c1ccncc1)N(C)C(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833549639 605282869 /nfs/dbraw/zinc/28/28/69/605282869.db2.gz FZJQXIDVDOGZFE-SNVBAGLBSA-N -1 0 332.335 3.536 20 0 EHADRM COc1cccc(CN(C)C(=O)Nc2ccc(NC(=O)[O-])c(F)c2)c1 ZINC000833735055 605283576 /nfs/dbraw/zinc/28/35/76/605283576.db2.gz BNAMBQWSDOHVNE-UHFFFAOYSA-N -1 0 347.346 3.588 20 0 EHADRM CC(C)(C)CCCC(=O)NCc1ccccc1-c1cc(C(=O)[O-])n[nH]1 ZINC000833429494 605284305 /nfs/dbraw/zinc/28/43/05/605284305.db2.gz NSTCODVCSWGNLX-UHFFFAOYSA-N -1 0 343.427 3.608 20 0 EHADRM COCCC[C@H](C)C(=O)Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1 ZINC000833724276 605287947 /nfs/dbraw/zinc/28/79/47/605287947.db2.gz AQYVOEPBAPSWNW-NSHDSACASA-N -1 0 348.424 3.510 20 0 EHADRM CC(C)(NC(=O)c1csc(-c2cccc3ccccc32)n1)C(=O)[O-] ZINC000833461454 605289650 /nfs/dbraw/zinc/28/96/50/605289650.db2.gz XLWBIRDWTAWBJD-UHFFFAOYSA-N -1 0 340.404 3.556 20 0 EHADRM CCc1cc(N[C@H](C(=O)[O-])c2cc(OC)cc(OC)c2)ccc1C ZINC000833670871 605290369 /nfs/dbraw/zinc/29/03/69/605290369.db2.gz DJSIUWFSXSDUOU-SFHVURJKSA-N -1 0 329.396 3.812 20 0 EHADRM CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cccc(NC(=O)[O-])c2)CC1 ZINC000833436105 605300249 /nfs/dbraw/zinc/30/02/49/605300249.db2.gz CZRJHTWOYXEZQZ-CYBMUJFWSA-N -1 0 349.431 3.978 20 0 EHADRM C[C@@H](Cc1noc(-c2ccc(Cl)cc2Cl)n1)N(C)C(=O)[O-] ZINC000825037287 605301502 /nfs/dbraw/zinc/30/15/02/605301502.db2.gz ZLXZLUQJUGYHSQ-ZETCQYMHSA-N -1 0 330.171 3.584 20 0 EHADRM C[C@H](Cc1noc(Cc2c(Cl)cccc2Cl)n1)N(C)C(=O)[O-] ZINC000825048414 605301918 /nfs/dbraw/zinc/30/19/18/605301918.db2.gz REZFJESVGXSFFM-MRVPVSSYSA-N -1 0 344.198 3.508 20 0 EHADRM CC(C)(C)c1ncc(C(=O)OCc2ccc(NC(=O)[O-])cc2)s1 ZINC000833450824 605303311 /nfs/dbraw/zinc/30/33/11/605303311.db2.gz KSTACJURWVVXSR-UHFFFAOYSA-N -1 0 334.397 3.888 20 0 EHADRM C[C@@H](Cc1noc(-c2cc(Cl)sc2Cl)n1)N(C)C(=O)[O-] ZINC000825036045 605304764 /nfs/dbraw/zinc/30/47/64/605304764.db2.gz HEHLGFVRVHNDRC-YFKPBYRVSA-N -1 0 336.200 3.646 20 0 EHADRM CC(C)(C)OC(=O)N1CCC[C@H](Nc2cccc(CC(=O)[O-])c2)CC1 ZINC000833437680 605309406 /nfs/dbraw/zinc/30/94/06/605309406.db2.gz VJSQRVWYMLRNSL-HNNXBMFYSA-N -1 0 348.443 3.515 20 0 EHADRM C[C@H](Cc1noc(CSc2ccc(Cl)cc2)n1)N(C)C(=O)[O-] ZINC000825048852 605317746 /nfs/dbraw/zinc/31/77/46/605317746.db2.gz XRCGHAPCPIHPMN-SECBINFHSA-N -1 0 341.820 3.556 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(NC(=O)[O-])c(C)c2)n1 ZINC000830493858 605332180 /nfs/dbraw/zinc/33/21/80/605332180.db2.gz UOKUUOWIUNSLCX-KRWDZBQOSA-N -1 0 339.395 3.766 20 0 EHADRM CC[C@@H]1CN(C(=O)CCCCc2ccc(C)cc2)CC[C@H]1NC(=O)[O-] ZINC000833851000 605340958 /nfs/dbraw/zinc/34/09/58/605340958.db2.gz YJSIBINJDYGNGZ-QZTJIDSGSA-N -1 0 346.471 3.603 20 0 EHADRM Cc1cc(NC(=O)c2ccc(NC(=O)[O-])cc2)nn1[C@@H](C)C1CC1 ZINC000833900653 605341704 /nfs/dbraw/zinc/34/17/04/605341704.db2.gz VGSZPZOXYFKZNA-NSHDSACASA-N -1 0 328.372 3.505 20 0 EHADRM Cc1cc(C(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)ccc1NC(=O)[O-] ZINC000829939472 605343986 /nfs/dbraw/zinc/34/39/86/605343986.db2.gz FSVKNHLDUXJKGN-BPQIPLTHSA-N -1 0 336.391 3.543 20 0 EHADRM CC[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)s2)CC[C@H]1NC(=O)[O-] ZINC000833851564 605346006 /nfs/dbraw/zinc/34/60/06/605346006.db2.gz PVEPJCDCHLGLKN-VXGBXAGGSA-N -1 0 338.473 3.554 20 0 EHADRM O=C([O-])N1CC[C@H](CCC(=O)N2CCCC[C@H]2c2ccc(F)cc2)C1 ZINC000834073039 605495670 /nfs/dbraw/zinc/49/56/70/605495670.db2.gz BRCLUCNRBYVESQ-YOEHRIQHSA-N -1 0 348.418 3.659 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2cncc3ccccc32)ccc1F ZINC000834257648 605545386 /nfs/dbraw/zinc/54/53/86/605545386.db2.gz XEURFHVHKQTICE-UHFFFAOYSA-N -1 0 325.299 3.716 20 0 EHADRM O=C([O-])N1CCc2cccc(CN3CCCC[C@H]3c3nccs3)c21 ZINC000834123915 605580412 /nfs/dbraw/zinc/58/04/12/605580412.db2.gz XGRMMJWINKWPQV-HNNXBMFYSA-N -1 0 343.452 3.911 20 0 EHADRM Cc1cc(C(=O)N[C@@H](C)c2cc(F)ccc2F)ccc1NC(=O)[O-] ZINC000829940734 605596984 /nfs/dbraw/zinc/59/69/84/605596984.db2.gz PCAQYKXGMBBUCN-JTQLQIEISA-N -1 0 334.322 3.854 20 0 EHADRM O=C([O-])Nc1ccc2c(c1)CC[C@H]2NCc1ccn(-c2ccccc2)n1 ZINC000834261910 605597248 /nfs/dbraw/zinc/59/72/48/605597248.db2.gz GIGWXEVIMKOHBX-LJQANCHMSA-N -1 0 348.406 3.739 20 0 EHADRM O=C([O-])Nc1ccc(CN2CCC[C@H]2c2ccc(F)c(F)c2)cn1 ZINC000834260763 605600268 /nfs/dbraw/zinc/60/02/68/605600268.db2.gz XBAIYZPTJYTVPB-HNNXBMFYSA-N -1 0 333.338 3.787 20 0 EHADRM CC(C)=C[C@H]1[C@H](C(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)C1(C)C ZINC000649253691 605622523 /nfs/dbraw/zinc/62/25/23/605622523.db2.gz OBAVJDXRMYCTRX-JKSUJKDBSA-N -1 0 342.439 3.512 20 0 EHADRM Cc1cc(C(=O)N[C@H]2CCc3cc(F)ccc32)ccc1NC(=O)[O-] ZINC000829941813 605637556 /nfs/dbraw/zinc/63/75/56/605637556.db2.gz ZEAHIOSTNRDEBZ-INIZCTEOSA-N -1 0 328.343 3.641 20 0 EHADRM O=C([O-])Nc1ccc(CNc2ccc(-c3nccs3)cc2)cn1 ZINC000834260748 605637843 /nfs/dbraw/zinc/63/78/43/605637843.db2.gz ZDDTUJJQJMGAKE-UHFFFAOYSA-N -1 0 326.381 3.907 20 0 EHADRM O=C([O-])Nc1cccc(CSc2nnc(C3CC3)n2C2CC2)c1 ZINC000834267804 605638091 /nfs/dbraw/zinc/63/80/91/605638091.db2.gz BPEKVEZBYBUSEH-UHFFFAOYSA-N -1 0 330.413 3.873 20 0 EHADRM O=C([O-])Nc1ccc(C(=O)N2CCCCC[C@@H]2c2ccco2)c(O)c1 ZINC000834258296 605650149 /nfs/dbraw/zinc/65/01/49/605650149.db2.gz OQTQJMCALDFIPO-CQSZACIVSA-N -1 0 344.367 3.833 20 0 EHADRM COc1cc(NC2CCC(NC(=O)[O-])CC2)cc(OC)c1C(C)C ZINC000833888279 605657687 /nfs/dbraw/zinc/65/76/87/605657687.db2.gz ZWHNOPLYDQZCOG-UHFFFAOYSA-N -1 0 336.432 3.818 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC1 ZINC000194439969 605669359 /nfs/dbraw/zinc/66/93/59/605669359.db2.gz DCVNHKRKLNBFRC-UHFFFAOYSA-N -1 0 347.745 3.771 20 0 EHADRM Cc1cc(C(=O)Nc2cc(CC(C)(C)C)nn2C)ccc1NC(=O)[O-] ZINC000829961543 605683275 /nfs/dbraw/zinc/68/32/75/605683275.db2.gz JKVFSSDACJSZJB-UHFFFAOYSA-N -1 0 344.415 3.659 20 0 EHADRM Cc1cc(C(=O)N2CCCC[C@@H]2c2nccs2)ccc1NC(=O)[O-] ZINC000829930587 605701769 /nfs/dbraw/zinc/70/17/69/605701769.db2.gz YHUVIACXWUYEMV-CQSZACIVSA-N -1 0 345.424 3.909 20 0 EHADRM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000833605918 605716024 /nfs/dbraw/zinc/71/60/24/605716024.db2.gz MRDQZYOEIGNWDU-RKDXNWHRSA-N -1 0 348.296 3.719 20 0 EHADRM O=C([O-])N1CCCCC[C@@H]1c1noc(C(F)(F)c2ccccc2)n1 ZINC000834107573 605723139 /nfs/dbraw/zinc/72/31/39/605723139.db2.gz IPSPZQUIZWBPLO-GFCCVEGCSA-N -1 0 337.326 3.805 20 0 EHADRM CC(C)COc1ccccc1NC(=O)Cc1cccc(NC(=O)[O-])c1 ZINC000833796357 605760149 /nfs/dbraw/zinc/76/01/49/605760149.db2.gz DGTQBJWCUDZRGK-UHFFFAOYSA-N -1 0 342.395 3.993 20 0 EHADRM CC(C)(C)NC(=O)CCSCc1cc(C(=O)[O-])ccc1Cl ZINC000833431650 605788061 /nfs/dbraw/zinc/78/80/61/605788061.db2.gz UGYFGHQKHYTZLI-UHFFFAOYSA-N -1 0 329.849 3.576 20 0 EHADRM O=C([O-])Cc1ccc(OC(=O)/C=C/c2ccc(Cl)s2)c(F)c1 ZINC000833776578 605800178 /nfs/dbraw/zinc/80/01/78/605800178.db2.gz LTZYKNYFIRUZOC-ZZXKWVIFSA-N -1 0 340.759 3.787 20 0 EHADRM COCc1cccc(C(=O)OCc2cc(C(=O)[O-])ccc2Cl)c1 ZINC000833726051 605811455 /nfs/dbraw/zinc/81/14/55/605811455.db2.gz PACIHMCNZHCRMN-UHFFFAOYSA-N -1 0 334.755 3.542 20 0 EHADRM C[C@H](OC(=O)c1cc(C(=O)[O-])no1)c1ccc(Cl)cc1Cl ZINC000833533025 605822104 /nfs/dbraw/zinc/82/21/04/605822104.db2.gz VSTUVJNFUQPQMK-LURJTMIESA-N -1 0 330.123 3.598 20 0 EHADRM CC(C)c1ccccc1NC(=O)N(C1CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000824476629 605875516 /nfs/dbraw/zinc/87/55/16/605875516.db2.gz PGENPBFGZFBLAK-AWEZNQCLSA-N -1 0 331.416 3.559 20 0 EHADRM Cc1cc(C(=O)Nc2ccccc2-n2ccnc2)ccc1NC(=O)[O-] ZINC000829965885 605881602 /nfs/dbraw/zinc/88/16/02/605881602.db2.gz NXZUBXWEDQONMA-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM COc1ccc(NC(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)cc1NC(=O)[O-] ZINC000833888474 605969099 /nfs/dbraw/zinc/96/90/99/605969099.db2.gz BWYHOHNKCDTMAG-NJZAAPMLSA-N -1 0 347.415 3.828 20 0 EHADRM O=C([O-])N1CCC([C@@H](NCc2cscn2)c2ccc(F)cc2)CC1 ZINC000834074871 605982810 /nfs/dbraw/zinc/98/28/10/605982810.db2.gz NZKBCYOENWFIFS-INIZCTEOSA-N -1 0 349.431 3.503 20 0 EHADRM O=C([O-])N1CCC[C@H](CCN[C@@H](c2nccs2)c2ccccc2)C1 ZINC000834100698 605983462 /nfs/dbraw/zinc/98/34/62/605983462.db2.gz UUZMRINZFKMMAG-GDBMZVCRSA-N -1 0 345.468 3.602 20 0 EHADRM O=C([O-])N1CCC(CCC(=O)N2CCC[C@H]2c2ccccc2)CC1 ZINC000834076349 606005203 /nfs/dbraw/zinc/00/52/03/606005203.db2.gz PPSDZFVANAEKPW-KRWDZBQOSA-N -1 0 330.428 3.520 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCCO[C@@H]1CCCC[C@H]1C ZINC000833906850 606011231 /nfs/dbraw/zinc/01/12/31/606011231.db2.gz OIJVZQRGTWRQLB-CZUORRHYSA-N -1 0 349.431 3.802 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCCCc1ccccc1 ZINC000833907026 606012985 /nfs/dbraw/zinc/01/29/85/606012985.db2.gz WLSGOKWSSRLPKD-UHFFFAOYSA-N -1 0 327.384 3.839 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@H](C(=O)Nc2cccnc2-c2ccccc2)C1 ZINC000834167212 606024825 /nfs/dbraw/zinc/02/48/25/606024825.db2.gz AVPIPBUHGIGDSR-GJZGRUSLSA-N -1 0 339.395 3.514 20 0 EHADRM CC(C)CSCCCNC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000833797091 606087709 /nfs/dbraw/zinc/08/77/09/606087709.db2.gz MJKPACVYWNWSEZ-UHFFFAOYSA-N -1 0 343.424 3.816 20 0 EHADRM CC(C)Oc1ccc(Oc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000824334592 608183845 /nfs/dbraw/zinc/18/38/45/608183845.db2.gz YMCCEPBDHZDNJE-UHFFFAOYSA-N -1 0 337.792 3.556 20 0 EHADRM Cc1cccc([C@H](C)NC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)c1C ZINC000684735210 939036879 /nfs/dbraw/zinc/03/68/79/939036879.db2.gz IZIBXUAYRXGYJK-SUMWQHHRSA-N -1 0 344.386 3.629 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CCc1cccs1)c1ccc2ccccc2c1 ZINC000191490431 939038386 /nfs/dbraw/zinc/03/83/86/939038386.db2.gz YYWQENHOEYXFPN-SFHVURJKSA-N -1 0 339.416 3.776 20 0 EHADRM Cc1ccc(-c2nc(C(=O)NC3(C(=O)[O-])CCCC3)cs2)c(C)c1 ZINC000237749521 939049179 /nfs/dbraw/zinc/04/91/79/939049179.db2.gz KUHRJUHSCWRQCT-UHFFFAOYSA-N -1 0 344.436 3.554 20 0 EHADRM O=C([O-])C1(NC(=O)CCc2nc3ccccc3s2)CCCCCC1 ZINC000237927123 939051274 /nfs/dbraw/zinc/05/12/74/939051274.db2.gz ZASMVECHBSMNRC-UHFFFAOYSA-N -1 0 346.452 3.523 20 0 EHADRM COc1ccc([C@H](NC(=O)C2CCCCCC2)C(=O)[O-])cc1Cl ZINC000262961414 939089184 /nfs/dbraw/zinc/08/91/84/939089184.db2.gz HZVUKSLNQYOMQZ-HNNXBMFYSA-N -1 0 339.819 3.561 20 0 EHADRM C[C@](NC(=O)[C@@H]1CC=CCC1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000263044266 939095201 /nfs/dbraw/zinc/09/52/01/939095201.db2.gz PLHMDDANKUQYJW-QLJPJBMISA-N -1 0 342.222 3.766 20 0 EHADRM Cc1cc(C(=O)N[C@@](C)(C(=O)[O-])c2ccc(F)cc2)c(C)n1C(C)C ZINC000263205324 939109467 /nfs/dbraw/zinc/10/94/67/939109467.db2.gz OGZOSQFDNNYTSF-LJQANCHMSA-N -1 0 346.402 3.555 20 0 EHADRM C[C@@](NC(=O)c1ccc(Cl)cc1Cl)(C(=O)[O-])c1ccccc1 ZINC000315623309 939121445 /nfs/dbraw/zinc/12/14/45/939121445.db2.gz ONFUFWIXXCRSTI-INIZCTEOSA-N -1 0 338.190 3.723 20 0 EHADRM Cc1cc(OC(C)C)ccc1NC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000780449325 939123540 /nfs/dbraw/zinc/12/35/40/939123540.db2.gz BHCWBXSFALBVBC-UHFFFAOYSA-N -1 0 334.416 3.691 20 0 EHADRM O=C([O-])[C@@H](NC(=O)Nc1cccc2ccccc21)C1CCCCC1 ZINC000324496510 939126104 /nfs/dbraw/zinc/12/61/04/939126104.db2.gz PVVIJLVXDKNJQE-KRWDZBQOSA-N -1 0 326.396 3.995 20 0 EHADRM CC(C)c1cccc(NC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000324593739 939126171 /nfs/dbraw/zinc/12/61/71/939126171.db2.gz FRRKMHZBYDQYAE-IBGZPJMESA-N -1 0 326.396 3.932 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cccc(Cl)c1)c1ccc(Cl)c(F)c1 ZINC000345778572 939128321 /nfs/dbraw/zinc/12/83/21/939128321.db2.gz BBUTZDJIMULCCK-CYBMUJFWSA-N -1 0 342.153 3.688 20 0 EHADRM Cc1nc(C(C)(C)C)sc1C(=O)NC1(C(=O)[O-])CCC(C)CC1 ZINC000345975061 939128380 /nfs/dbraw/zinc/12/83/80/939128380.db2.gz IJDIBKJUOPFNQY-UHFFFAOYSA-N -1 0 338.473 3.512 20 0 EHADRM C[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1)c1ccsc1 ZINC000345773863 939128411 /nfs/dbraw/zinc/12/84/11/939128411.db2.gz BIJGDORXOQMHOO-ISVAXAHUSA-N -1 0 341.791 3.586 20 0 EHADRM Cc1c(COC(C)(C)C)cccc1NC(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC000780627418 939141450 /nfs/dbraw/zinc/14/14/50/939141450.db2.gz YMPHTJOELSMHCT-IBGZPJMESA-N -1 0 348.443 3.685 20 0 EHADRM CSc1ccc(C)c(NC(=O)N[C@H](C(=O)[O-])C2CCCCC2)c1 ZINC000780720189 939147983 /nfs/dbraw/zinc/14/79/83/939147983.db2.gz NHCNNQQMUZDTHL-HNNXBMFYSA-N -1 0 336.457 3.872 20 0 EHADRM C[C@@H](CC(=O)N[C@H](C(=O)[O-])c1ccccc1)Cc1ccc(Cl)cc1 ZINC000431465215 939152710 /nfs/dbraw/zinc/15/27/10/939152710.db2.gz NENHBFYMVNFMQF-ACJLOTCBSA-N -1 0 345.826 3.851 20 0 EHADRM Cc1cc(C)cc([C@H](NC(=O)NC[C@H](C)c2ccccc2)C(=O)[O-])c1 ZINC000797703975 939160312 /nfs/dbraw/zinc/16/03/12/939160312.db2.gz MJRZXQYNZYFKSX-YJBOKZPZSA-N -1 0 340.423 3.532 20 0 EHADRM CCCc1ccc(NC(=O)N[C@@]2(C(=O)[O-])CCc3ccccc32)cc1 ZINC000797735724 939198414 /nfs/dbraw/zinc/19/84/14/939198414.db2.gz VUNNVLUVJIAAGY-FQEVSTJZSA-N -1 0 338.407 3.687 20 0 EHADRM O=C([O-])[C@@H](NC(=O)CCCc1ccc(Cl)cc1)c1cccs1 ZINC000448996019 939206079 /nfs/dbraw/zinc/20/60/79/939206079.db2.gz RDGJOPPSPCULCT-HNNXBMFYSA-N -1 0 337.828 3.666 20 0 EHADRM CC[C@@H](C)c1ccccc1OCC(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC000448998537 939206614 /nfs/dbraw/zinc/20/66/14/939206614.db2.gz WEXSCAMWCFNYSH-PXAZEXFGSA-N -1 0 347.436 3.583 20 0 EHADRM CCCCC[C@@H](C)CC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000829305108 939220498 /nfs/dbraw/zinc/22/04/98/939220498.db2.gz QYCXRZNATNKYDN-BDJLRTHQSA-N -1 0 327.371 3.813 20 0 EHADRM Cc1ccc(/C=C\CC(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000832927736 939221043 /nfs/dbraw/zinc/22/10/43/939221043.db2.gz JWJMNXWVJHAIQM-KVLZDYKBSA-N -1 0 345.345 3.619 20 0 EHADRM Cc1ccc(/C=C/CC(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000832927735 939221236 /nfs/dbraw/zinc/22/12/36/939221236.db2.gz JWJMNXWVJHAIQM-DCKQQPRJSA-N -1 0 345.345 3.619 20 0 EHADRM CC[C@@](NC(=O)[C@@H](C)c1ccccc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507281385 939231459 /nfs/dbraw/zinc/23/14/59/939231459.db2.gz PYLVLPVIYKRBSA-DJJJIMSYSA-N -1 0 345.826 3.950 20 0 EHADRM CC[C@@](NC(=O)c1ccc(Cl)o1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507316046 939234987 /nfs/dbraw/zinc/23/49/87/939234987.db2.gz FWBHIRWDCUQVKV-HNNXBMFYSA-N -1 0 342.178 3.706 20 0 EHADRM C[C@H](c1ccc(C(=O)NC2(C(=O)[O-])CCCCC2)cc1)C(F)(F)F ZINC000856722565 939242817 /nfs/dbraw/zinc/24/28/17/939242817.db2.gz NMXOPKZXVKFFRE-LLVKDONJSA-N -1 0 343.345 3.870 20 0 EHADRM CC[C@@](NC(=O)Nc1cc(C)cc(C)c1)(C(=O)[O-])c1ccccc1 ZINC000520704939 939255147 /nfs/dbraw/zinc/25/51/47/939255147.db2.gz KATXORJNAJOYOT-IBGZPJMESA-N -1 0 326.396 3.815 20 0 EHADRM CC1(C)CCC[C@](NC(=O)c2sccc2C(F)F)(C(=O)[O-])C1 ZINC000872739035 939263724 /nfs/dbraw/zinc/26/37/24/939263724.db2.gz XTHUTKOHTFQGLN-OAHLLOKOSA-N -1 0 331.384 3.839 20 0 EHADRM C[C@@](NC(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1)(C(=O)[O-])C1CC1 ZINC000887382964 939266617 /nfs/dbraw/zinc/26/66/17/939266617.db2.gz XSLVOSIAMCMYIY-FZMZJTMJSA-N -1 0 348.296 3.634 20 0 EHADRM CC[C@H](C)Sc1ccc(NC(=O)N[C@@H](C(=O)[O-])C2CC2)c(C)c1 ZINC000900332915 939275883 /nfs/dbraw/zinc/27/58/83/939275883.db2.gz GJBLDFYVFMWUBA-XHDPSFHLSA-N -1 0 336.457 3.870 20 0 EHADRM Cc1ccc(Oc2ccc(NC(=O)NC3(C(=O)[O-])CC3)cc2)cc1 ZINC000557779053 939308886 /nfs/dbraw/zinc/30/88/86/939308886.db2.gz ZMULYZJNIOGVLX-UHFFFAOYSA-N -1 0 326.352 3.526 20 0 EHADRM CC(C)[C@H](CNC(=O)N[C@H](C(=O)[O-])c1cccs1)c1ccccc1 ZINC000562975337 939337834 /nfs/dbraw/zinc/33/78/34/939337834.db2.gz VNTUHONOVIGXAF-HOCLYGCPSA-N -1 0 346.452 3.613 20 0 EHADRM CCOc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2C)c1 ZINC000563500849 939339712 /nfs/dbraw/zinc/33/97/12/939339712.db2.gz NLFWASPDHMFMBQ-QGZVFWFLSA-N -1 0 342.395 3.650 20 0 EHADRM CC(C)OCc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccsc2)c1 ZINC000564154759 939343514 /nfs/dbraw/zinc/34/35/14/939343514.db2.gz CIAOWIJZCMWQQW-OAHLLOKOSA-N -1 0 348.424 3.621 20 0 EHADRM COc1ccc([C@@H](NC(=O)[C@H](C)CC2CCCCC2)C(=O)[O-])cc1 ZINC000568914955 939371247 /nfs/dbraw/zinc/37/12/47/939371247.db2.gz BTGFUCPFPZVMNK-CXAGYDPISA-N -1 0 333.428 3.544 20 0 EHADRM Cc1cc2cc(NC(=O)N[C@H](C(=O)[O-])C3CCCCC3)ccc2[nH]1 ZINC000570996121 939388112 /nfs/dbraw/zinc/38/81/12/939388112.db2.gz BDOYVXAPIQWYAY-INIZCTEOSA-N -1 0 329.400 3.631 20 0 EHADRM CCc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(F)c(C)c2)c1 ZINC000573640042 939720103 /nfs/dbraw/zinc/72/01/03/939720103.db2.gz RIURUOZEHJHGRQ-INIZCTEOSA-N -1 0 330.359 3.644 20 0 EHADRM CC[C@](NC(=O)Nc1ccc(F)c(C)c1)(C(=O)[O-])c1ccccc1 ZINC000574829926 939729589 /nfs/dbraw/zinc/72/95/89/939729589.db2.gz LXPPGUWZXSAJQK-GOSISDBHSA-N -1 0 330.359 3.646 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2cc(C(F)(F)F)ccc2s1)C1CC1 ZINC000576362279 939738680 /nfs/dbraw/zinc/73/86/80/939738680.db2.gz ZMAAGNVSKXZJJJ-GFCCVEGCSA-N -1 0 343.326 3.513 20 0 EHADRM CO[C@@H]1CCC[C@@H]([C@@H](NC(=O)Nc2ccc(C(C)C)cc2)C(=O)[O-])C1 ZINC000576350576 939738817 /nfs/dbraw/zinc/73/88/17/939738817.db2.gz KYROLOYQBIQBEC-DJIMGWMZSA-N -1 0 348.443 3.590 20 0 EHADRM CCOCc1cccc(NC(=O)NC2(C(=O)[O-])CCC(CC)CC2)c1 ZINC000579069282 939758896 /nfs/dbraw/zinc/75/88/96/939758896.db2.gz MXZVKYLZBIMRQB-UHFFFAOYSA-N -1 0 348.443 3.768 20 0 EHADRM Cc1cccc([C@H](NC(=O)Nc2ccc3c(c2)CCC3)C(=O)[O-])c1C ZINC000579579154 939763930 /nfs/dbraw/zinc/76/39/30/939763930.db2.gz VPUZBQMIUYETIF-SFHVURJKSA-N -1 0 338.407 3.740 20 0 EHADRM O=C([O-])C1(NC(=O)Nc2cccc(-c3cccs3)c2)CCCC1 ZINC000581480735 939778568 /nfs/dbraw/zinc/77/85/68/939778568.db2.gz UXGBIBCFWULSHT-UHFFFAOYSA-N -1 0 330.409 3.934 20 0 EHADRM CCC1CCC(NC(=O)Nc2ccc3oc(C)nc3c2)(C(=O)[O-])CC1 ZINC000583972467 939794312 /nfs/dbraw/zinc/79/43/12/939794312.db2.gz ASDFJKQQSFFVNU-UHFFFAOYSA-N -1 0 345.399 3.681 20 0 EHADRM Cc1cc(C)cc([C@@H](NC(=O)N[C@@H](C)c2ccsc2)C(=O)[O-])c1 ZINC000929033714 939795157 /nfs/dbraw/zinc/79/51/57/939795157.db2.gz IICZUIVAXWPMSU-SWLSCSKDSA-N -1 0 332.425 3.551 20 0 EHADRM C[C@@H](NC(=O)[C@@H](C(=O)[O-])C1CCCC1)c1ccc(Cl)c(F)c1 ZINC001118574462 939812328 /nfs/dbraw/zinc/81/23/28/939812328.db2.gz IFBKBDZQEGQIPS-OTYXRUKQSA-N -1 0 327.783 3.547 20 0 EHADRM CC1(C)CCC[C@@](NC(=O)c2cccc(F)c2Cl)(C(=O)[O-])C1 ZINC000630249354 939821054 /nfs/dbraw/zinc/82/10/54/939821054.db2.gz YOVDQTITBZGDFZ-INIZCTEOSA-N -1 0 327.783 3.633 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)N[C@H](C(=O)[O-])C2CCCCCC2)c1 ZINC000653487571 939836351 /nfs/dbraw/zinc/83/63/51/939836351.db2.gz BIVRBJBZKQSELR-DYVFJYSZSA-N -1 0 348.443 3.939 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)Nc2ccccc2C(F)(F)F)(C(=O)[O-])CC1 ZINC000656474651 939843463 /nfs/dbraw/zinc/84/34/63/939843463.db2.gz FBLWQTUPSGXMQI-LGZQZNNBSA-N -1 0 344.333 3.860 20 0 EHADRM CC[C@@H](Cc1ccccc1C)C(=O)N[C@H](C(=O)[O-])c1ccsc1 ZINC000659161915 939848592 /nfs/dbraw/zinc/84/85/92/939848592.db2.gz LYTBQFTUBGLNCC-BBRMVZONSA-N -1 0 331.437 3.567 20 0 EHADRM C[C@H](C(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1)c1ccc(Cl)s1 ZINC000659181775 939850203 /nfs/dbraw/zinc/85/02/03/939850203.db2.gz UWQPRUZUYPJJEH-YHAQOWFVSA-N -1 0 329.849 3.655 20 0 EHADRM Cc1cc(C(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)c(Cl)cc1F ZINC000659181924 939850235 /nfs/dbraw/zinc/85/02/35/939850235.db2.gz WURQDRMFMHVOEZ-QLKSEXHHSA-N -1 0 327.783 3.551 20 0 EHADRM C[C@H](NC(=O)[C@@H](C(=O)[O-])C1CC1)c1ccc(Cl)c2ccccc21 ZINC000663046638 939851278 /nfs/dbraw/zinc/85/12/78/939851278.db2.gz ASUQIANOIVUATL-QFYYESIMSA-N -1 0 331.799 3.781 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)[C@@H](C(=O)[O-])C3CCCC3)cc2)oc1C ZINC000663068081 939852217 /nfs/dbraw/zinc/85/22/17/939852217.db2.gz XVVREOSYFXEKIC-INIZCTEOSA-N -1 0 342.395 3.788 20 0 EHADRM O=C([O-])[C@H](C(=O)Nc1cccc(COC2CCCCC2)c1)C1CC1 ZINC000663075402 939852751 /nfs/dbraw/zinc/85/27/51/939852751.db2.gz LXIXYJWQGVMRRQ-KRWDZBQOSA-N -1 0 331.412 3.585 20 0 EHADRM Cc1cc(Oc2ccccc2)ccc1NC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC000663083841 939853528 /nfs/dbraw/zinc/85/35/28/939853528.db2.gz PFENNMZZHXARPL-KRWDZBQOSA-N -1 0 325.364 3.837 20 0 EHADRM CN(C(=O)N[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl)C1CCCC1 ZINC000663293973 939860408 /nfs/dbraw/zinc/86/04/08/939860408.db2.gz NRXASDDVWOVVPP-CYBMUJFWSA-N -1 0 345.226 3.703 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000675979167 939864072 /nfs/dbraw/zinc/86/40/72/939864072.db2.gz CGTBUFSGTFNKOW-XOBRGWDASA-N -1 0 343.398 3.511 20 0 EHADRM O=C([O-])[C@]1(NC(=O)CC/C=C\c2ccccc2)CCc2ccccc21 ZINC000675990274 939867407 /nfs/dbraw/zinc/86/74/07/939867407.db2.gz VABBDCZGDGYACU-NFPLSMQRSA-N -1 0 335.403 3.523 20 0 EHADRM CCC1CCC(NC(=O)c2cc3cccc(OC)c3o2)(C(=O)[O-])CC1 ZINC000678982148 939868578 /nfs/dbraw/zinc/86/85/78/939868578.db2.gz FWUATJHHXTXNLK-UHFFFAOYSA-N -1 0 345.395 3.595 20 0 EHADRM C[C@H](NC(=O)NC1(C(=O)[O-])CCCCC1)c1cc2ccccc2o1 ZINC000679540642 939869783 /nfs/dbraw/zinc/86/97/83/939869783.db2.gz NJYKLQKLVKZRQJ-LBPRGKRZSA-N -1 0 330.384 3.581 20 0 EHADRM Cc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(F)c(C)c2)c1C ZINC000683921096 939871172 /nfs/dbraw/zinc/87/11/72/939871172.db2.gz NJGFGKYJOWYELQ-INIZCTEOSA-N -1 0 330.359 3.698 20 0 EHADRM Cc1cc(C)cc([C@@H](C)NC(=O)N[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000684730209 939873865 /nfs/dbraw/zinc/87/38/65/939873865.db2.gz ANTAQQPZADGSDM-DYVFJYSZSA-N -1 0 344.386 3.629 20 0 EHADRM Cc1cc([C@H](NC(=O)c2cccc(C(=O)[O-])c2)C2CC2)ccc1F ZINC001600146183 970770553 /nfs/dbraw/zinc/77/05/53/970770553.db2.gz BSFNFCHFTFYOFZ-QGZVFWFLSA-N -1 0 327.355 3.713 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2cc3c(cccc3F)s2)C1 ZINC000321453551 970773101 /nfs/dbraw/zinc/77/31/01/970773101.db2.gz HUAYYXLRRWVWAE-LLVKDONJSA-N -1 0 335.400 3.757 20 0 EHADRM C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C1 ZINC000321654500 970794352 /nfs/dbraw/zinc/79/43/52/970794352.db2.gz LAYFLMHIIJEWHB-OPRDCNLKSA-N -1 0 326.343 3.561 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)CCSc2ccccc2)cc1F ZINC000321809090 970809983 /nfs/dbraw/zinc/80/99/83/970809983.db2.gz YVZQHKKIZMUDOX-UHFFFAOYSA-N -1 0 337.347 3.784 20 0 EHADRM CCC(CC)(CNC(=O)N(C)[C@H](C)c1cccc(Cl)c1)C(=O)[O-] ZINC000321805439 970810033 /nfs/dbraw/zinc/81/00/33/970810033.db2.gz ZMSUDTZTHAPFOR-GFCCVEGCSA-N -1 0 340.851 3.933 20 0 EHADRM O=C([O-])c1ccc2c(c1)N(Cc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000321867714 970818803 /nfs/dbraw/zinc/81/88/03/970818803.db2.gz NXYSQZYAOCTAEF-UHFFFAOYSA-N -1 0 332.743 3.509 20 0 EHADRM Cc1cc(Cl)cc(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)c1 ZINC000321845228 970815367 /nfs/dbraw/zinc/81/53/67/970815367.db2.gz AWZZWDRXJGVAOH-UHFFFAOYSA-N -1 0 329.783 3.545 20 0 EHADRM Cc1[nH]nc(NC(=O)c2ccc(C(=O)[O-])cc2)c1-c1cccc(C)c1 ZINC001600506313 970818544 /nfs/dbraw/zinc/81/85/44/970818544.db2.gz SFRTUPOSBFRIGO-UHFFFAOYSA-N -1 0 335.363 3.644 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000321900062 970822620 /nfs/dbraw/zinc/82/26/20/970822620.db2.gz UQDOBRRXMDYKIW-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM Cc1cccc2c1CCN(C(=O)Nc1cccc(CCC(=O)[O-])c1)C2 ZINC001600556295 970825846 /nfs/dbraw/zinc/82/58/46/970825846.db2.gz LIRRZMMRIIWNKH-UHFFFAOYSA-N -1 0 338.407 3.602 20 0 EHADRM C[C@H](Cc1cccs1)N(C)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000321997999 970835409 /nfs/dbraw/zinc/83/54/09/970835409.db2.gz QVUSIKKDZFJKHJ-SNVBAGLBSA-N -1 0 336.388 3.680 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)Nc2cc(Cl)ccc2F)C1 ZINC000322117347 970848799 /nfs/dbraw/zinc/84/87/99/970848799.db2.gz YQDVGQXIZYFSRY-JTQLQIEISA-N -1 0 342.798 3.834 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2ccccc2c(Cl)n1)c1cccs1 ZINC000323155845 970971881 /nfs/dbraw/zinc/97/18/81/970971881.db2.gz PEVGSQJTPIBLGE-CYBMUJFWSA-N -1 0 346.795 3.505 20 0 EHADRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1C[C@H]1c1ccccc1 ZINC000323270811 970984308 /nfs/dbraw/zinc/98/43/08/970984308.db2.gz FYXBCILLROBAHH-SMDDNHRTSA-N -1 0 332.743 3.914 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000323559365 971016723 /nfs/dbraw/zinc/01/67/23/971016723.db2.gz HZRFDDKHZDCDGM-VHSXEESVSA-N -1 0 326.274 3.724 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)NCc2ccc3ccccc3n2)c1 ZINC001611459499 971062092 /nfs/dbraw/zinc/06/20/92/971062092.db2.gz FYMUJGKHWAZOLA-UHFFFAOYSA-N -1 0 349.390 3.574 20 0 EHADRM Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])Cc3ccccc32)c(Cl)c1 ZINC000324279752 971104724 /nfs/dbraw/zinc/10/47/24/971104724.db2.gz KNNWVQLDJRIXJU-ZDUSSCGKSA-N -1 0 329.783 3.552 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)CCSc2ccccc2)c1F ZINC000324350798 971110618 /nfs/dbraw/zinc/11/06/18/971110618.db2.gz GCWKOIULUNWSDQ-UHFFFAOYSA-N -1 0 337.347 3.784 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2cc(Cl)c3ccccc3n2)c1 ZINC000324622211 971139861 /nfs/dbraw/zinc/13/98/61/971139861.db2.gz AYDVAWFPZCYBPY-UHFFFAOYSA-N -1 0 344.729 3.978 20 0 EHADRM O=C([O-])c1cccc(CCNC(=O)c2cc3cc(F)ccc3s2)c1 ZINC000324701384 971149470 /nfs/dbraw/zinc/14/94/70/971149470.db2.gz UMQMNYXTAJNVMO-UHFFFAOYSA-N -1 0 343.379 3.711 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)NCCc2cccc(C(=O)[O-])c2)c(C)s1 ZINC000325031514 971177870 /nfs/dbraw/zinc/17/78/70/971177870.db2.gz JJAZJDXQODINJR-GFCCVEGCSA-N -1 0 346.452 3.666 20 0 EHADRM CN(C(=O)NCCc1cccc(C(=O)[O-])c1)C1CCC(C)(C)CC1 ZINC000325220817 971195169 /nfs/dbraw/zinc/19/51/69/971195169.db2.gz MCSOMQYTAAASBF-UHFFFAOYSA-N -1 0 332.444 3.538 20 0 EHADRM CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000325224635 971195176 /nfs/dbraw/zinc/19/51/76/971195176.db2.gz AQHAKXRGPQOQFC-PMPSAXMXSA-N -1 0 338.492 3.734 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000325244309 971196845 /nfs/dbraw/zinc/19/68/45/971196845.db2.gz IRXIYUNNHMODDU-AAEUAGOBSA-N -1 0 341.329 3.643 20 0 EHADRM O=C([O-])c1ccc(CCNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000325258782 971198241 /nfs/dbraw/zinc/19/82/41/971198241.db2.gz NBQPCALGYHKNDZ-KBAYOESNSA-N -1 0 329.440 3.650 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)C1(Cc2cccc(Cl)c2)CC1 ZINC001602468754 971203241 /nfs/dbraw/zinc/20/32/41/971203241.db2.gz LIKLOAMVOABNQA-UHFFFAOYSA-N -1 0 343.810 3.677 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)N[C@H]2CCCc3sccc32)c1 ZINC000325349185 971206453 /nfs/dbraw/zinc/20/64/53/971206453.db2.gz FFRGVMPWFVEBLM-HNNXBMFYSA-N -1 0 344.436 3.964 20 0 EHADRM CCc1cc2c(ncnc2N2CCc3ccc(C(=O)[O-])cc3C2)s1 ZINC000325344664 971207110 /nfs/dbraw/zinc/20/71/10/971207110.db2.gz JNKJMTUDZLWMAO-UHFFFAOYSA-N -1 0 339.420 3.515 20 0 EHADRM O=C([O-])c1cccc2c1OCCN2C(=O)c1csc2ccccc12 ZINC000325377685 971210171 /nfs/dbraw/zinc/21/01/71/971210171.db2.gz RMMITYSDZBNSQA-UHFFFAOYSA-N -1 0 339.372 3.639 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)Cc2c(F)cccc2Cl)c2ccccc21 ZINC000325413345 971213753 /nfs/dbraw/zinc/21/37/53/971213753.db2.gz URBGIPRPASBQHA-GFCCVEGCSA-N -1 0 347.773 3.627 20 0 EHADRM Cc1ccc(OCCC(=O)Nc2c(F)cccc2C(=O)[O-])cc1C ZINC000325415450 971213919 /nfs/dbraw/zinc/21/39/19/971213919.db2.gz MDWMBJMWQXGTFL-UHFFFAOYSA-N -1 0 331.343 3.548 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)[C@@H]2CCCc3ccccc32)cc1F ZINC000325518661 971222458 /nfs/dbraw/zinc/22/24/58/971222458.db2.gz CTUFLGNKYGEDMX-CYBMUJFWSA-N -1 0 331.318 3.722 20 0 EHADRM COc1ccc([C@H](C)NC(=O)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC000325671649 971235136 /nfs/dbraw/zinc/23/51/36/971235136.db2.gz OVZUBWMQAOEIQJ-LBPRGKRZSA-N -1 0 328.368 3.585 20 0 EHADRM CSCc1ccc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000325858065 971249465 /nfs/dbraw/zinc/24/94/65/971249465.db2.gz HKCHPAMRYFJBAL-INIZCTEOSA-N -1 0 341.432 3.768 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)Nc2cc(F)ccc2Cl)Cc2ccccc21 ZINC000326061624 971264548 /nfs/dbraw/zinc/26/45/48/971264548.db2.gz DYHRXYJZALMHLE-ZDUSSCGKSA-N -1 0 348.761 3.695 20 0 EHADRM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C1 ZINC000326094786 971267117 /nfs/dbraw/zinc/26/71/17/971267117.db2.gz TXJFFGQLFMGUCP-HZSPNIEDSA-N -1 0 332.444 3.947 20 0 EHADRM O=C([O-])CCCCCCNC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000326455361 971295053 /nfs/dbraw/zinc/29/50/53/971295053.db2.gz FHJRJCPXAIERQX-UHFFFAOYSA-N -1 0 346.471 3.686 20 0 EHADRM CN(C(=O)Cc1ccc2ccccc2c1)C1(C(=O)[O-])CCCCC1 ZINC000326575816 971304757 /nfs/dbraw/zinc/30/47/57/971304757.db2.gz HLPBMRNGHKFNKB-UHFFFAOYSA-N -1 0 325.408 3.628 20 0 EHADRM CC(C)(C)C1=CCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC000326778378 971326993 /nfs/dbraw/zinc/32/69/93/971326993.db2.gz TVTYUSFCVYDZDQ-UHFFFAOYSA-N -1 0 338.354 3.873 20 0 EHADRM O=C([O-])[C@@H]1CCN(Cc2coc(-c3ccccc3)n2)c2ccccc21 ZINC000326990862 971354405 /nfs/dbraw/zinc/35/44/05/971354405.db2.gz AWLZVEBPCHICQA-QGZVFWFLSA-N -1 0 334.375 3.920 20 0 EHADRM Cc1c2cccc(F)c2oc1C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000327262006 971380509 /nfs/dbraw/zinc/38/05/09/971380509.db2.gz BPJIZCBLRMIXHR-UHFFFAOYSA-N -1 0 341.338 3.551 20 0 EHADRM CCc1ccc(NC(=O)c2cccc(-n3cccc3)c2)c(C(=O)[O-])c1 ZINC000327672051 971417421 /nfs/dbraw/zinc/41/74/21/971417421.db2.gz ADWIJDVBSDUKFU-UHFFFAOYSA-N -1 0 334.375 3.990 20 0 EHADRM C/C(=C\C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1cccs1 ZINC001602736070 971420021 /nfs/dbraw/zinc/42/00/21/971420021.db2.gz CKUFDSZADUSJPM-IANUHJRKSA-N -1 0 327.405 3.581 20 0 EHADRM Cc1cccc(C)c1OCCC(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC000327715254 971420927 /nfs/dbraw/zinc/42/09/27/971420927.db2.gz CPZVISVMSSIHGB-QGZVFWFLSA-N -1 0 347.455 3.612 20 0 EHADRM Cc1cc(-c2noc([C@@H]3CCC[C@H](C(=O)[O-])C3)n2)nc2ccccc12 ZINC000328005451 971439961 /nfs/dbraw/zinc/43/99/61/971439961.db2.gz KAPUDCSAZLJBJO-OLZOCXBDSA-N -1 0 337.379 3.952 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)[C@H]1CCc2ccccc2C1)c1ccccc1 ZINC000328034426 971442963 /nfs/dbraw/zinc/44/29/63/971442963.db2.gz LLHLGCTXNOSLQC-OALUTQOASA-N -1 0 337.419 3.514 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1 ZINC000013092161 948776368 /nfs/dbraw/zinc/77/63/68/948776368.db2.gz LCJHTBSXLIXQNB-UHFFFAOYSA-N -1 0 348.402 3.675 20 0 EHADRM CCOc1ccccc1OCCCC(=O)Nc1ccccc1C(=O)[O-] ZINC000013095084 948778167 /nfs/dbraw/zinc/77/81/67/948778167.db2.gz ROTHLTMPCGXRHL-UHFFFAOYSA-N -1 0 343.379 3.581 20 0 EHADRM O=C([O-])c1cccc(NC(=O)CSc2ccc3c(c2)CCC3)c1 ZINC000013259507 948778342 /nfs/dbraw/zinc/77/83/42/948778342.db2.gz OXELVSCMMIFWAX-UHFFFAOYSA-N -1 0 327.405 3.604 20 0 EHADRM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001589561169 948810305 /nfs/dbraw/zinc/81/03/05/948810305.db2.gz KBXABCLACYUQHB-CQSZACIVSA-N -1 0 347.802 3.576 20 0 EHADRM CC[C@@H](NC(=O)N1CCC[C@](CC)(C(=O)[O-])C1)c1ccc(C)cc1 ZINC001589564221 948841568 /nfs/dbraw/zinc/84/15/68/948841568.db2.gz ISMPZZHFQNNRPW-APWZRJJASA-N -1 0 332.444 3.733 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)CCCSc1ccc(Cl)cc1)C(=O)[O-] ZINC000336851618 971515647 /nfs/dbraw/zinc/51/56/47/971515647.db2.gz XGLKFOQGTWCTRP-XHDPSFHLSA-N -1 0 343.876 3.828 20 0 EHADRM Cc1ccc2c(CC(=O)N(CC(=O)[O-])c3ccccc3)coc2c1C ZINC000337762832 971516659 /nfs/dbraw/zinc/51/66/59/971516659.db2.gz XNPCASFMVQONQR-UHFFFAOYSA-N -1 0 337.375 3.710 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000339346950 971516766 /nfs/dbraw/zinc/51/67/66/971516766.db2.gz CFDLJTISLDENBG-LKFCYVNXSA-N -1 0 332.227 3.542 20 0 EHADRM CC(C)[C@@H](NC(=O)c1cc2sc3ccccc3c2s1)C(=O)[O-] ZINC000345999040 971520616 /nfs/dbraw/zinc/52/06/16/971520616.db2.gz RUSXOELUXMWHHP-CYBMUJFWSA-N -1 0 333.434 3.955 20 0 EHADRM CCCC[C@@H](NC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000347256069 971522105 /nfs/dbraw/zinc/52/21/05/971522105.db2.gz FCEMYPBGWYMBMF-NOZJJQNGSA-N -1 0 348.226 3.520 20 0 EHADRM O=C([O-])CC1(CC(=O)Nc2ccccc2OCC(F)F)CCCC1 ZINC000354261717 971530590 /nfs/dbraw/zinc/53/05/90/971530590.db2.gz PDSLPTMJMONTNT-UHFFFAOYSA-N -1 0 341.354 3.694 20 0 EHADRM CC[C@@H](Oc1ccccc1F)C(=O)Nc1c(C)cccc1C(=O)[O-] ZINC001589584187 949024654 /nfs/dbraw/zinc/02/46/54/949024654.db2.gz AURAXQDVXSRXBK-CQSZACIVSA-N -1 0 331.343 3.628 20 0 EHADRM CC[C@](C)(NC(=O)Cc1coc2cc(C)c(C(C)C)cc12)C(=O)[O-] ZINC000362332430 971533613 /nfs/dbraw/zinc/53/36/13/971533613.db2.gz HZRDTAYFMKYRBD-IBGZPJMESA-N -1 0 331.412 3.777 20 0 EHADRM Cc1oc(CNC(=O)c2ccc(-c3ccccc3F)o2)cc1C(=O)[O-] ZINC000362574592 971535810 /nfs/dbraw/zinc/53/58/10/971535810.db2.gz GMRXKDGHKWQBNN-UHFFFAOYSA-N -1 0 343.310 3.615 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001589587052 949063208 /nfs/dbraw/zinc/06/32/08/949063208.db2.gz LJOINOUYNWWKIX-QAETUUGQSA-N -1 0 341.492 3.614 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001589587432 949067438 /nfs/dbraw/zinc/06/74/38/949067438.db2.gz RQJNGZOZPYLCQG-HOTGVXAUSA-N -1 0 335.444 3.583 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Cc2cc(Cl)ccc2Cl)C1 ZINC001589592376 949104910 /nfs/dbraw/zinc/10/49/10/949104910.db2.gz QDNXRHCZEVAOFM-MRXNPFEDSA-N -1 0 344.238 3.639 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001589597439 949171831 /nfs/dbraw/zinc/17/18/31/949171831.db2.gz CNAIAFBEVFUMBC-DAYGRLMNSA-N -1 0 335.831 3.547 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)OCc2cccc(Cl)c2)C1 ZINC001589598508 949187262 /nfs/dbraw/zinc/18/72/62/949187262.db2.gz OLSJPTVLHGQLEU-INIZCTEOSA-N -1 0 325.792 3.553 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc3ccccc3cc2F)C1 ZINC001589603259 949207483 /nfs/dbraw/zinc/20/74/83/949207483.db2.gz LFDWNCKZWZTBAB-IBGZPJMESA-N -1 0 329.371 3.696 20 0 EHADRM CCC1(CC)CN(C(=O)Nc2ccc(C(=O)[O-])cc2F)CCS1 ZINC001589612082 949326506 /nfs/dbraw/zinc/32/65/06/949326506.db2.gz CTOSNXQFJMLGAU-UHFFFAOYSA-N -1 0 340.420 3.663 20 0 EHADRM O=C([O-])c1ccc(CNCc2cccc(F)c2Br)cc1 ZINC001595230362 949336580 /nfs/dbraw/zinc/33/65/80/949336580.db2.gz DIHCUOFRJOORCK-UHFFFAOYSA-N -1 0 338.176 3.576 20 0 EHADRM Cc1ccc(C(=O)Nc2ccccc2C(=O)[O-])c(Br)c1 ZINC000160960930 949382865 /nfs/dbraw/zinc/38/28/65/949382865.db2.gz ASYLIYGJXYOTPT-UHFFFAOYSA-N -1 0 334.169 3.708 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2ccccc2Cc2ccccc2)nc1 ZINC001595235730 949393738 /nfs/dbraw/zinc/39/37/38/949393738.db2.gz DIBGYOGDLMDZDJ-UHFFFAOYSA-N -1 0 332.359 3.623 20 0 EHADRM CC[C@H]1CCCC[C@H]1N(C)C(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001589620957 949409696 /nfs/dbraw/zinc/40/96/96/949409696.db2.gz DPYRDULHUAXJFT-HRCADAONSA-N -1 0 326.481 3.734 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)/C=C\SCc1ccco1 ZINC001595238014 949422054 /nfs/dbraw/zinc/42/20/54/949422054.db2.gz DRWFHHIJGQQUBP-YFHOEESVSA-N -1 0 343.404 3.704 20 0 EHADRM O=C([O-])c1cccc(-c2nc(-c3ccnc(C(F)(F)F)c3)no2)c1 ZINC001595239309 949438304 /nfs/dbraw/zinc/43/83/04/949438304.db2.gz SCHHHGYJHGQWQI-UHFFFAOYSA-N -1 0 335.241 3.516 20 0 EHADRM CC[C@@H]1CN(C(=O)[C@]2(C(=O)[O-])CC2(C)C)CC[C@@H]1c1ccccc1 ZINC001589624088 949452247 /nfs/dbraw/zinc/45/22/47/949452247.db2.gz ACDBXHPMSZYIRF-IIMJZQEZSA-N -1 0 329.440 3.530 20 0 EHADRM O=C([O-])c1cccc(CN2CCc3cc(Br)ccc3C2)c1 ZINC001595243363 949487602 /nfs/dbraw/zinc/48/76/02/949487602.db2.gz QPGBIKWCQOLNNI-UHFFFAOYSA-N -1 0 346.224 3.706 20 0 EHADRM Cc1ccc(C(=O)NC[C@H](C)C(=O)[O-])c(Sc2ccccc2)c1 ZINC000190965634 949504926 /nfs/dbraw/zinc/50/49/26/949504926.db2.gz ORHIGVSWZXGSME-ZDUSSCGKSA-N -1 0 329.421 3.597 20 0 EHADRM CC[C@@H](CC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccc(OC)cc1 ZINC000192844733 949511363 /nfs/dbraw/zinc/51/13/63/949511363.db2.gz NCAYTGLEHVJAHW-HNNXBMFYSA-N -1 0 341.407 3.594 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)N1CCc2cccc(C(F)(F)F)c21 ZINC001595254997 949584763 /nfs/dbraw/zinc/58/47/63/949584763.db2.gz MUPJVMIHXCCXBB-UHFFFAOYSA-N -1 0 349.308 3.535 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)c1nc2ccccc2cc1C1CC1 ZINC001595256244 949620069 /nfs/dbraw/zinc/62/00/69/949620069.db2.gz UVTJLPZOPIAESU-UHFFFAOYSA-N -1 0 346.386 3.740 20 0 EHADRM CCC[C@H]1CCC[C@@H]1C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2 ZINC001589637568 949631348 /nfs/dbraw/zinc/63/13/48/949631348.db2.gz KRIHFZUQTXOCPG-QWRGUYRKSA-N -1 0 337.441 3.674 20 0 EHADRM CCC[C@@H]1[C@H](C)CCCN1C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589637844 949636699 /nfs/dbraw/zinc/63/66/99/949636699.db2.gz RBXVQHBXJZHDDM-LYYZXLFJSA-N -1 0 338.492 3.732 20 0 EHADRM CCCC[C@H](CC)CNC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589640898 949687953 /nfs/dbraw/zinc/68/79/53/949687953.db2.gz LTPUCCXHBODBKW-ZQDZILKHSA-N -1 0 326.481 3.637 20 0 EHADRM CCCCN(C(=O)c1cccc(C(=O)[O-])c1)[C@@H]1CCCC[C@H]1OC ZINC001589648312 949760592 /nfs/dbraw/zinc/76/05/92/949760592.db2.gz VJOJRZQXSWMUOC-IAGOWNOFSA-N -1 0 333.428 3.585 20 0 EHADRM CCCCCc1nnc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)s1 ZINC001589648274 949762134 /nfs/dbraw/zinc/76/21/34/949762134.db2.gz SUKZQVKORQYRNY-UHFFFAOYSA-N -1 0 333.413 3.530 20 0 EHADRM O=C([O-])c1cncc(NC(=O)[C@H]2CC[C@@H]2c2ccc(Cl)cc2F)c1 ZINC001595271752 949837243 /nfs/dbraw/zinc/83/72/43/949837243.db2.gz XSLNNFXKCGJOHC-OCCSQVGLSA-N -1 0 348.761 3.705 20 0 EHADRM CCCN(C)c1ccccc1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC001589660255 949862953 /nfs/dbraw/zinc/86/29/53/949862953.db2.gz IDWHCDBXOXOQLU-UHFFFAOYSA-N -1 0 341.411 3.553 20 0 EHADRM Cc1cccc(CC(=O)Nc2cc(C(=O)[O-])ccc2Br)c1 ZINC000235887527 949883630 /nfs/dbraw/zinc/88/36/30/949883630.db2.gz JYLMJEMMZIOVEQ-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM O=C([O-])C[C@@H]1CC[C@H](NC(=O)CCSc2ccc(Cl)cc2)C1 ZINC000379220249 971617234 /nfs/dbraw/zinc/61/72/34/971617234.db2.gz PPNXGMNDMWBNRH-YPMHNXCESA-N -1 0 341.860 3.582 20 0 EHADRM CC(C)C[C@@H](NC(=O)[C@H]1C[C@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000236578259 949922691 /nfs/dbraw/zinc/92/26/91/949922691.db2.gz OREYSFHCBLADTK-OKZBNKHCSA-N -1 0 325.408 3.559 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)OCc2c(Cl)ccc(F)c2Cl)C1 ZINC001595277285 949934262 /nfs/dbraw/zinc/93/42/62/949934262.db2.gz YZQIYFOAEJFLAO-SFYZADRCSA-N -1 0 335.158 3.677 20 0 EHADRM Cn1c2ccccc2c(Cl)c1C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000237711019 949972631 /nfs/dbraw/zinc/97/26/31/949972631.db2.gz GTXZLISJEAAVBQ-GFCCVEGCSA-N -1 0 348.830 3.691 20 0 EHADRM Cc1ccc2c(CC(=O)N3CCCC[C@H]3CCC(=O)[O-])coc2c1 ZINC000237870065 949977734 /nfs/dbraw/zinc/97/77/34/949977734.db2.gz FVPFPXJECYOJHL-HNNXBMFYSA-N -1 0 329.396 3.530 20 0 EHADRM Cc1cc2occ(CC(=O)N3CCC[C@H](CCC(=O)[O-])C3)c2cc1C ZINC000237914232 949979336 /nfs/dbraw/zinc/97/93/36/949979336.db2.gz KFBAEBGPWAXRTH-OAHLLOKOSA-N -1 0 343.423 3.696 20 0 EHADRM CCCO[C@@H]1CCCN(C(=O)Nc2cccc(CCC(=O)[O-])c2)CC1 ZINC001589677855 950020937 /nfs/dbraw/zinc/02/09/37/950020937.db2.gz SBBWOQRQZORPSZ-QGZVFWFLSA-N -1 0 348.443 3.517 20 0 EHADRM CCCOc1ccc(NC(=O)NC[C@H](C(=O)[O-])C(C)C)cc1Cl ZINC001589681354 950050126 /nfs/dbraw/zinc/05/01/26/950050126.db2.gz LVFDGFHNRDSZPQ-LBPRGKRZSA-N -1 0 342.823 3.607 20 0 EHADRM CCCc1ccc(C(=O)CCC(=O)N(CC(=O)[O-])CC(C)(C)C)cc1 ZINC001589691251 950111915 /nfs/dbraw/zinc/11/19/15/950111915.db2.gz FRPXGDVUBOPRGS-UHFFFAOYSA-N -1 0 347.455 3.561 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)c1 ZINC000262375137 950114354 /nfs/dbraw/zinc/11/43/54/950114354.db2.gz JGQVPUDTFSSVCC-ZIAGYGMSSA-N -1 0 345.345 3.724 20 0 EHADRM CCCc1ccc(CCCC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC001589691489 950116464 /nfs/dbraw/zinc/11/64/64/950116464.db2.gz MKTAVCRAACTLSB-CRAIPNDOSA-N -1 0 331.456 3.531 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC[C@@H]1C(=O)[O-] ZINC000262754419 950163617 /nfs/dbraw/zinc/16/36/17/950163617.db2.gz ACDCLEHZVBHVJU-PELKAZGASA-N -1 0 349.736 3.542 20 0 EHADRM C[C@@H]1CN(C(=O)C2(Sc3ccccc3)CCCC2)CC[C@@H]1C(=O)[O-] ZINC000262872848 950178173 /nfs/dbraw/zinc/17/81/73/950178173.db2.gz GEIQVNCKFLWXJR-ZBFHGGJFSA-N -1 0 347.480 3.661 20 0 EHADRM CCN(C(=O)Cc1coc2cc(C)c(C(C)C)cc12)[C@@H](C)C(=O)[O-] ZINC001589703682 950253948 /nfs/dbraw/zinc/25/39/48/950253948.db2.gz LRFUHHNQHGYSKC-ZDUSSCGKSA-N -1 0 331.412 3.729 20 0 EHADRM C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)CC[C@@H]1C(=O)[O-] ZINC000263138769 950289486 /nfs/dbraw/zinc/28/94/86/950289486.db2.gz YGSDLFKZHYHRAI-ALQDCCJHSA-N -1 0 337.419 3.513 20 0 EHADRM CCN(C(=O)Nc1ccc(OC2CCCCC2)cc1)[C@H](C)C(=O)[O-] ZINC001589706956 950299877 /nfs/dbraw/zinc/29/98/77/950299877.db2.gz KJHCLAUCEBGEFG-CYBMUJFWSA-N -1 0 334.416 3.725 20 0 EHADRM COc1ccc(CCCCCC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)cc1 ZINC000263178137 950311569 /nfs/dbraw/zinc/31/15/69/950311569.db2.gz JZQOTYREVNALKW-NVXWUHKLSA-N -1 0 347.455 3.510 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccc(F)c2ccccc21 ZINC000263350268 950391647 /nfs/dbraw/zinc/39/16/47/950391647.db2.gz HPURIIVVEGKSDG-CHWSQXEVSA-N -1 0 344.386 3.546 20 0 EHADRM CCCCc1nnc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)s1 ZINC000263468954 950480579 /nfs/dbraw/zinc/48/05/79/950480579.db2.gz HDZBXWMADOKVET-UHFFFAOYSA-N -1 0 348.428 3.542 20 0 EHADRM CCN(CCOc1ccccc1C)C(=O)C1(C(=O)[O-])CCCCCC1 ZINC001589735216 950530825 /nfs/dbraw/zinc/53/08/25/950530825.db2.gz ZPJBKLUIDNNSCB-UHFFFAOYSA-N -1 0 347.455 3.648 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Nc1cc(Cl)ccc1F ZINC000315000321 950833685 /nfs/dbraw/zinc/83/36/85/950833685.db2.gz GCINDDXKUVIUPF-NSHDSACASA-N -1 0 328.771 3.730 20 0 EHADRM O=C([O-])CC1(C(=O)NC[C@@H]2CCCC[C@@H]2c2ccccc2)CCC1 ZINC001594974378 950904822 /nfs/dbraw/zinc/90/48/22/950904822.db2.gz QIKBIXQTKQDOBO-DLBZAZTESA-N -1 0 329.440 3.722 20 0 EHADRM CC(C)C[C@H](CNC(=O)N(CC(C)C)C1CCCC1)CC(=O)[O-] ZINC000321384052 951013908 /nfs/dbraw/zinc/01/39/08/951013908.db2.gz BPDZWMCBQAJYKE-HNNXBMFYSA-N -1 0 326.481 3.734 20 0 EHADRM COc1ccc(Cl)cc1C[N@@H+]1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000321316990 951014379 /nfs/dbraw/zinc/01/43/79/951014379.db2.gz NJHWHRILWLYPKF-KRWDZBQOSA-N -1 0 331.799 3.533 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCCC[C@@H]2CCC(=O)[O-])o1 ZINC000324265757 951064412 /nfs/dbraw/zinc/06/44/12/951064412.db2.gz IXVHAEMRQYCMFD-FMKPAKJESA-N -1 0 333.428 3.582 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2ccc3ccccc3c2)Cc2ccccc21 ZINC000326951586 951105751 /nfs/dbraw/zinc/10/57/51/951105751.db2.gz OMYZNUKZOJXSKF-IBGZPJMESA-N -1 0 331.371 3.664 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(OC(F)F)cc2)c2ccccc21 ZINC000327364477 951114212 /nfs/dbraw/zinc/11/42/12/951114212.db2.gz JOHBPBHHLCJJMJ-CQSZACIVSA-N -1 0 347.317 3.507 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)c1cc(Cl)ccc1OC1CCCC1 ZINC000351557641 951133054 /nfs/dbraw/zinc/13/30/54/951133054.db2.gz HYVPRACVVRVTQY-UHFFFAOYSA-N -1 0 339.819 3.598 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000347517097 951133306 /nfs/dbraw/zinc/13/33/06/951133306.db2.gz LREWHIJLSFBFMR-GJZGRUSLSA-N -1 0 335.469 3.518 20 0 EHADRM C[C@H](NC(=O)Cc1ccccc1C(=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000347362314 951134063 /nfs/dbraw/zinc/13/40/63/951134063.db2.gz IZFPAINKBRREGV-NSHDSACASA-N -1 0 346.452 3.559 20 0 EHADRM CC(C)C[C@H](NC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)[O-] ZINC000360820612 951135196 /nfs/dbraw/zinc/13/51/96/951135196.db2.gz VVEBREDGXYBEIO-ZDUSSCGKSA-N -1 0 345.420 3.537 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)C1CC1 ZINC000362462266 951135658 /nfs/dbraw/zinc/13/56/58/951135658.db2.gz AXOKVODYLWCZQQ-ULOPGQLASA-N -1 0 342.222 3.561 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)CC1 ZINC000364194863 951138353 /nfs/dbraw/zinc/13/83/53/951138353.db2.gz JZMNVHQUQANXCA-MSOLQXFVSA-N -1 0 337.419 3.657 20 0 EHADRM CN(CCC(=O)[O-])C(=O)[C@@H]1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000378166769 951153220 /nfs/dbraw/zinc/15/32/20/951153220.db2.gz CSJXUAYVEMUYOJ-QWHCGFSZSA-N -1 0 346.452 3.503 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccsc1C(F)(F)F ZINC001595012128 951254147 /nfs/dbraw/zinc/25/41/47/951254147.db2.gz ONFADLIDMZGMCC-SECBINFHSA-N -1 0 335.347 3.626 20 0 EHADRM C[C@H]1CN(C(=O)Nc2cc(Cl)ccc2Cl)CC[C@@H]1C(=O)[O-] ZINC000385698858 951282751 /nfs/dbraw/zinc/28/27/51/951282751.db2.gz HUJULZKKVSZGBQ-WPRPVWTQSA-N -1 0 331.199 3.568 20 0 EHADRM O=C([O-])CCCC(=O)Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 ZINC001595029233 951365243 /nfs/dbraw/zinc/36/52/43/951365243.db2.gz XXJRPRWPPBKNRY-UHFFFAOYSA-N -1 0 341.342 3.562 20 0 EHADRM O=C([O-])CCCCCNC(=O)NC1(c2ccccc2Cl)CCC1 ZINC001595036808 951408482 /nfs/dbraw/zinc/40/84/82/951408482.db2.gz FWMACZBZIIHTJD-UHFFFAOYSA-N -1 0 338.835 3.663 20 0 EHADRM O=C([O-])[C@H]1CCN(C(=O)c2cccc(OC(F)F)c2)c2ccccc21 ZINC000392695105 951425345 /nfs/dbraw/zinc/42/53/45/951425345.db2.gz MLRBXMJUVRTCBJ-AWEZNQCLSA-N -1 0 347.317 3.507 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)NCCCOC2CCCCC2)c1 ZINC001595066335 951550878 /nfs/dbraw/zinc/55/08/78/951550878.db2.gz IPXMDQIBNOAARQ-UHFFFAOYSA-N -1 0 348.443 3.565 20 0 EHADRM COc1ccc(OCc2cccc(C(=O)[O-])c2Cl)c([N+](=O)[O-])c1 ZINC000381547164 971764564 /nfs/dbraw/zinc/76/45/64/971764564.db2.gz TUMNFDLMITYJDT-UHFFFAOYSA-N -1 0 337.715 3.534 20 0 EHADRM O=C([O-])COc1ccc(C(=O)Oc2cc(Cl)ccc2Cl)cc1 ZINC001595120053 951970267 /nfs/dbraw/zinc/97/02/67/951970267.db2.gz OVFVIFGJIBIQMF-UHFFFAOYSA-N -1 0 341.146 3.676 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)NCC[C@@H]2CCc3ccccc32)c1 ZINC001595131837 952035994 /nfs/dbraw/zinc/03/59/94/952035994.db2.gz OETMLAWCDOXMQQ-INIZCTEOSA-N -1 0 338.407 3.555 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)C[C@H]1OCc2cc(Cl)ccc21 ZINC001595135115 952050186 /nfs/dbraw/zinc/05/01/86/952050186.db2.gz XCQMVJNLAQTDFH-MRXNPFEDSA-N -1 0 345.782 3.567 20 0 EHADRM O=C([O-])c1cc(NC(=O)N2CCCCC[C@@H]2c2ccco2)ccn1 ZINC001595208087 952345905 /nfs/dbraw/zinc/34/59/05/952345905.db2.gz ASTWWMILJVWELN-CQSZACIVSA-N -1 0 329.356 3.522 20 0 EHADRM CC(C)(C)c1ccc(SCC(=O)N2CCC[C@@]2(C)C(=O)[O-])cc1 ZINC001602923335 971887229 /nfs/dbraw/zinc/88/72/29/971887229.db2.gz YTAKAMNHKJPHBV-SFHVURJKSA-N -1 0 335.469 3.542 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C2(c3cccc(F)c3)CCCCC2)C1 ZINC001589267837 953379872 /nfs/dbraw/zinc/37/98/72/953379872.db2.gz DWILBUOMXDGDNZ-GJZGRUSLSA-N -1 0 347.430 3.597 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCC[C@H]2Cc2ccc(F)cc2)c1 ZINC000414456649 953395725 /nfs/dbraw/zinc/39/57/25/953395725.db2.gz UKEZDXFGCKBACO-SFHVURJKSA-N -1 0 341.382 3.680 20 0 EHADRM C[C@@H]1CCCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)[C@H]1C(=O)[O-] ZINC000424246818 953433768 /nfs/dbraw/zinc/43/37/68/953433768.db2.gz HJUYHLNSWSPSHE-PRHODGIISA-N -1 0 349.736 3.684 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NCC[C@@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC001589274407 953447620 /nfs/dbraw/zinc/44/76/20/953447620.db2.gz SQBMNMOSUSYDLY-FPCVCCKLSA-N -1 0 338.492 3.591 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1)C(=O)[O-] ZINC001593610387 953468096 /nfs/dbraw/zinc/46/80/96/953468096.db2.gz RNPVDASAFHBUHP-JDFRZJQESA-N -1 0 335.444 3.501 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000424405630 953470506 /nfs/dbraw/zinc/47/05/06/953470506.db2.gz PBOXNHDXVFGPMK-LLVKDONJSA-N -1 0 346.880 3.680 20 0 EHADRM CSc1ccc([C@@H](C)NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000424445953 953488377 /nfs/dbraw/zinc/48/83/77/953488377.db2.gz FQAFVEVFKWTYNC-TZMCWYRMSA-N -1 0 338.473 3.516 20 0 EHADRM Cc1ccc(-c2ncc(CN[C@H](C(=O)[O-])c3ccccc3)s2)o1 ZINC000426765132 953494881 /nfs/dbraw/zinc/49/48/81/953494881.db2.gz KJMYQXQAUYRNRL-HNNXBMFYSA-N -1 0 328.393 3.627 20 0 EHADRM CC[C@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccc(C)c(F)c1 ZINC001593618789 953512808 /nfs/dbraw/zinc/51/28/08/953512808.db2.gz CHHKGVZMLHFBEX-HEWZJLJBSA-N -1 0 331.343 3.706 20 0 EHADRM C[C@H]1C[C@H](CCNC(=O)C2(C(=O)[O-])CCSCC2)CC(C)(C)C1 ZINC001589285877 953570339 /nfs/dbraw/zinc/57/03/39/953570339.db2.gz IQAZMPKJAHVXRK-KBPBESRZSA-N -1 0 341.517 3.553 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC001594773732 953579741 /nfs/dbraw/zinc/57/97/41/953579741.db2.gz SHMJSTSYAPUDLI-SFHVURJKSA-N -1 0 338.407 3.725 20 0 EHADRM C[C@H]1CCN(C(=O)c2ccccc2NC2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000564730314 953605296 /nfs/dbraw/zinc/60/52/96/953605296.db2.gz YECZEKRJBQOZGQ-YOEHRIQHSA-N -1 0 344.455 3.614 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CCCCCc1ccc(F)cc1 ZINC001589298605 953670972 /nfs/dbraw/zinc/67/09/72/953670972.db2.gz NSXKYSKKOYGVBQ-GOEBONIOSA-N -1 0 335.419 3.640 20 0 EHADRM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccc(Cl)c2occc21 ZINC001594786767 953675759 /nfs/dbraw/zinc/67/57/59/953675759.db2.gz AHTUCDFVQMRAEL-OAHLLOKOSA-N -1 0 343.766 3.512 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)Nc2cc(C(=O)[O-])ccc2Br)C1 ZINC001589299852 953685122 /nfs/dbraw/zinc/68/51/22/953685122.db2.gz OFEKBERKKAHAOI-BDAKNGLRSA-N -1 0 326.190 3.522 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc3cccc(Cl)c3s2)C[C@H]1C(=O)[O-] ZINC000579240071 953706666 /nfs/dbraw/zinc/70/66/66/953706666.db2.gz ZFHTZOIGNLPACW-MWLCHTKSSA-N -1 0 337.828 3.738 20 0 EHADRM CCc1nc2ccccc2c(C(=O)NC[C@H](CC(C)C)C(=O)[O-])c1C ZINC001593651437 953710169 /nfs/dbraw/zinc/71/01/69/953710169.db2.gz SYTDKOFPSVFJLW-AWEZNQCLSA-N -1 0 342.439 3.582 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccc(Cl)cc2Cl)C[C@@H]1C(=O)[O-] ZINC000580075629 953712155 /nfs/dbraw/zinc/71/21/55/953712155.db2.gz SHXAAPPQADISOP-WPRPVWTQSA-N -1 0 331.199 3.568 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccc(Cl)cc2Cl)C[C@H]1C(=O)[O-] ZINC000580075628 953713161 /nfs/dbraw/zinc/71/31/61/953713161.db2.gz SHXAAPPQADISOP-WCBMZHEXSA-N -1 0 331.199 3.568 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1cccc2c(Cl)nccc12 ZINC001589304962 953731051 /nfs/dbraw/zinc/73/10/51/953731051.db2.gz OOERRVIWCLBOAH-WDEREUQCSA-N -1 0 347.802 3.605 20 0 EHADRM O=C([O-])c1cccc(NC(=O)C(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC001594809083 953798466 /nfs/dbraw/zinc/79/84/66/953798466.db2.gz LMCRWKXADVHDFK-UHFFFAOYSA-N -1 0 338.146 3.513 20 0 EHADRM O=C([O-])c1cccc(NC(=O)NC2(c3ccc(F)cc3)CCC2)c1 ZINC001594809250 953800171 /nfs/dbraw/zinc/80/01/71/953800171.db2.gz PKSYMQJTCRKUPB-UHFFFAOYSA-N -1 0 328.343 3.725 20 0 EHADRM CCC[C@H](CCc1ccccc1)NC(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000626753967 953808424 /nfs/dbraw/zinc/80/84/24/953808424.db2.gz CEUJMAPSQWIIBI-CGTJXYLNSA-N -1 0 346.471 3.540 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N[C@H]1CCCOc2c(F)cccc21 ZINC001594811214 953824209 /nfs/dbraw/zinc/82/42/09/953824209.db2.gz WEKZOGNYEXVUHF-AWEZNQCLSA-N -1 0 344.342 3.559 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)CCc2ccc(C(F)F)cc2)CC1 ZINC000630159478 953842757 /nfs/dbraw/zinc/84/27/57/953842757.db2.gz ZPHZYKPSUOWBEY-UHFFFAOYSA-N -1 0 339.382 3.660 20 0 EHADRM C[C@H](NC(=O)N[C@@H](C)[C@H]1CCC[C@@H](C)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589319977 953851658 /nfs/dbraw/zinc/85/16/58/953851658.db2.gz SHCNCILWSNUHBV-QOTRURMSSA-N -1 0 338.492 3.636 20 0 EHADRM CC(C)=C[C@H]1[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)C1(C)C ZINC000644631366 953915697 /nfs/dbraw/zinc/91/56/97/953915697.db2.gz LOOHCMZLBUFUNE-XWTMOSNGSA-N -1 0 341.451 3.552 20 0 EHADRM CN(C(=O)Nc1cccnc1C(=O)[O-])[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001593680489 953946139 /nfs/dbraw/zinc/94/61/39/953946139.db2.gz COXXMVGUPCOKBE-GDBMZVCRSA-N -1 0 339.395 3.580 20 0 EHADRM C[C@H]1CCCc2ccccc2[C@H]1NC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001589332385 953952628 /nfs/dbraw/zinc/95/26/28/953952628.db2.gz JJDFDGPDKUIYJS-SJCJKPOMSA-N -1 0 339.395 3.615 20 0 EHADRM C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001589332389 953952982 /nfs/dbraw/zinc/95/29/82/953952982.db2.gz JJDFDGPDKUIYJS-YVEFUNNKSA-N -1 0 339.395 3.615 20 0 EHADRM CC(C)Oc1ccc(NC(=O)NC2(CC(=O)[O-])CCC2)c(Cl)c1 ZINC000649542325 954003473 /nfs/dbraw/zinc/00/34/73/954003473.db2.gz CFAKWBSGRLTWSQ-UHFFFAOYSA-N -1 0 340.807 3.646 20 0 EHADRM C[C@@H]1CCN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)[C@@H]1c1ccccc1 ZINC001589338491 954017294 /nfs/dbraw/zinc/01/72/94/954017294.db2.gz ZOXDNPIPSXPPSG-LWWAGVBASA-N -1 0 325.364 3.601 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)CC[C@@H]1C ZINC001589344831 954047315 /nfs/dbraw/zinc/04/73/15/954047315.db2.gz YFVCLWXIVXPSDW-IUCAKERBSA-N -1 0 328.771 3.687 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000653317225 954141689 /nfs/dbraw/zinc/14/16/89/954141689.db2.gz ODFZUIJWENUTAK-MPNPMHGUSA-N -1 0 342.222 3.561 20 0 EHADRM CC1CCN(c2ccc(F)cc2NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC001589359341 954147480 /nfs/dbraw/zinc/14/74/80/954147480.db2.gz FGPGHTUSLUEVGW-UONOGXRCSA-N -1 0 348.418 3.501 20 0 EHADRM CC(C)[C@H](CNC(=O)C1(c2cccc(Cl)c2)CCCC1)C(=O)[O-] ZINC001602978273 971992817 /nfs/dbraw/zinc/99/28/17/971992817.db2.gz RBLGCOLBMVWYCH-HNNXBMFYSA-N -1 0 337.847 3.625 20 0 EHADRM CC(C)CN(C(=O)CCCCC(=O)[O-])[C@@H]1CCCc2cccnc21 ZINC000655544610 954197835 /nfs/dbraw/zinc/19/78/35/954197835.db2.gz SBAGHYTUSHBNSL-MRXNPFEDSA-N -1 0 332.444 3.589 20 0 EHADRM O=C([O-])C1(C(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)CCCCCC1 ZINC001594852319 954204759 /nfs/dbraw/zinc/20/47/59/954204759.db2.gz SNWWMSWIHISGKV-VNQPRFMTSA-N -1 0 347.842 3.520 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655584479 954227812 /nfs/dbraw/zinc/22/78/12/954227812.db2.gz KHDDSKGZZRJYFD-TVYUQYBPSA-N -1 0 343.345 3.571 20 0 EHADRM C[C@H](CNC(=O)N[C@@H](C)c1ccccc1Oc1ccccc1)C(=O)[O-] ZINC000655867485 954254128 /nfs/dbraw/zinc/25/41/28/954254128.db2.gz XAOBOBSBEPETQZ-KGLIPLIRSA-N -1 0 342.395 3.560 20 0 EHADRM CC(C)(C(=O)[O-])n1ccc(NC(=O)c2cccc(C3CCCC3)c2)n1 ZINC000659202592 954315174 /nfs/dbraw/zinc/31/51/74/954315174.db2.gz RWNCGDRHMBEBCG-UHFFFAOYSA-N -1 0 341.411 3.613 20 0 EHADRM O=C([O-])[C@]1(C(=O)Nc2ccc3cccc(Cl)c3n2)CC=CCC1 ZINC001594871210 954359166 /nfs/dbraw/zinc/35/91/66/954359166.db2.gz VSJXFKVEVUDANE-QGZVFWFLSA-N -1 0 330.771 3.638 20 0 EHADRM O=C([O-])[C@@]1(C(=O)Nc2ncc(-c3ccccc3F)s2)CC=CCC1 ZINC001594872689 954366448 /nfs/dbraw/zinc/36/64/48/954366448.db2.gz VDMLUSKZCCEMHB-KRWDZBQOSA-N -1 0 346.383 3.699 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000663029429 954402455 /nfs/dbraw/zinc/40/24/55/954402455.db2.gz MINTUCMTBHSTIE-SNVBAGLBSA-N -1 0 335.734 3.627 20 0 EHADRM CN(Cc1cc(C(=O)[O-])nn1C)c1ccc(Oc2ccccc2)cc1 ZINC001593755384 954447287 /nfs/dbraw/zinc/44/72/87/954447287.db2.gz ISRVRARISZSYBH-UHFFFAOYSA-N -1 0 337.379 3.547 20 0 EHADRM CN(CCc1cccc2ccccc21)C(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC001593756117 954456584 /nfs/dbraw/zinc/45/65/84/954456584.db2.gz ZZOILJSOTIBPID-QGZVFWFLSA-N -1 0 327.424 3.588 20 0 EHADRM Cc1cc([C@H](C)NC(=O)NCCCCCCC(=O)[O-])c(C)s1 ZINC000385827001 972017319 /nfs/dbraw/zinc/01/73/19/972017319.db2.gz VYVWJSPSWVEMTE-LBPRGKRZSA-N -1 0 326.462 3.760 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(C)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000666562796 954560784 /nfs/dbraw/zinc/56/07/84/954560784.db2.gz PSZSHGKRCSXVOO-SFHVURJKSA-N -1 0 340.423 3.548 20 0 EHADRM CC(C)(c1ccc(C(=O)NCCCCC(=O)[O-])cc1)C(F)(F)F ZINC000668274952 954566445 /nfs/dbraw/zinc/56/64/45/954566445.db2.gz PHXCWOLMNSEBRS-UHFFFAOYSA-N -1 0 331.334 3.511 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)Cc1csc(-c2ccccc2)n1 ZINC000681680075 954598725 /nfs/dbraw/zinc/59/87/25/954598725.db2.gz XVFPMPOVUFXNHV-UHFFFAOYSA-N -1 0 338.388 3.690 20 0 EHADRM O=C([O-])[C@H]1C[C@@H](NC(=O)N2CC=CC23CCCCC3)c2ccccc21 ZINC001594899973 954617248 /nfs/dbraw/zinc/61/72/48/954617248.db2.gz GQFBRERGZAUPSO-DLBZAZTESA-N -1 0 340.423 3.584 20 0 EHADRM CC[C@H](C(=O)N1CCCC[C@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001589426145 954622060 /nfs/dbraw/zinc/62/20/60/954622060.db2.gz FHSXWYWGXGXZHA-KBPBESRZSA-N -1 0 343.345 3.665 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)Cc2ccc(F)cc2Cl)c2ccccc21 ZINC001594919917 954800600 /nfs/dbraw/zinc/80/06/00/954800600.db2.gz JUPKRTDZNIMIKD-CQSZACIVSA-N -1 0 347.773 3.627 20 0 EHADRM CC[C@@](C)(NC(=O)NCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001589451786 954806022 /nfs/dbraw/zinc/80/60/22/954806022.db2.gz VFKTYJGSWIGDKT-LJQANCHMSA-N -1 0 326.396 3.509 20 0 EHADRM O=C([O-])[C@H]1CCN(CCCc2ccc3c(c2)CCO3)c2ccccc21 ZINC001594933613 954839640 /nfs/dbraw/zinc/83/96/40/954839640.db2.gz YDLULWQXWHNBCX-SFHVURJKSA-N -1 0 337.419 3.633 20 0 EHADRM O=C([O-])[C@H]1CCN(Cc2ncc(C(F)(F)F)s2)c2ccccc21 ZINC001594935476 954857370 /nfs/dbraw/zinc/85/73/70/954857370.db2.gz YOVHBBSORGHDJL-JTQLQIEISA-N -1 0 342.342 3.740 20 0 EHADRM CNc1cc(Cl)ccc1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001593803354 954864781 /nfs/dbraw/zinc/86/47/81/954864781.db2.gz VKDJIYSKPQALQK-UHFFFAOYSA-N -1 0 332.787 3.651 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N1CCC(C2CCCCC2)CC1)C(=O)[O-] ZINC001603008879 972058586 /nfs/dbraw/zinc/05/85/86/972058586.db2.gz MJLBWSIUXACHAZ-KRWDZBQOSA-N -1 0 338.492 3.735 20 0 EHADRM CC(C)C[C@@H](CNC(=O)N1c2ccccc2C(C)(C)[C@H]1C)C(=O)[O-] ZINC001603009000 972059112 /nfs/dbraw/zinc/05/91/12/972059112.db2.gz NXXQGNKIUWSSJE-KGLIPLIRSA-N -1 0 332.444 3.629 20 0 EHADRM CC[C@H](CCc1ccccc1)NC(=O)N1CCC[C@@](CC)(C(=O)[O-])C1 ZINC001589515428 955066350 /nfs/dbraw/zinc/06/63/50/955066350.db2.gz ZXAHKDOYCLLBIN-YLJYHZDGSA-N -1 0 346.471 3.684 20 0 EHADRM CC[C@@H](CNC(=O)CCCOc1ccc(C(C)(C)C)cc1C)C(=O)[O-] ZINC001589524924 955102373 /nfs/dbraw/zinc/10/23/73/955102373.db2.gz ZCFOLZZRCWYEGO-HNNXBMFYSA-N -1 0 349.471 3.679 20 0 EHADRM CN(CC(=O)[O-])C(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000737978575 955231176 /nfs/dbraw/zinc/23/11/76/955231176.db2.gz XYLSTDUSAIYSPZ-MHWRWJLKSA-N -1 0 347.773 3.563 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000786621074 955343978 /nfs/dbraw/zinc/34/39/78/955343978.db2.gz OFBPBCHAVPOOTD-CYBMUJFWSA-N -1 0 329.371 3.660 20 0 EHADRM CC(C)(C)C[C@H](NC(=O)Nc1ccccc1CC(=O)[O-])C(F)(F)F ZINC000819908651 955462577 /nfs/dbraw/zinc/46/25/77/955462577.db2.gz LHXRHVYMKBTFNG-LBPRGKRZSA-N -1 0 346.349 3.802 20 0 EHADRM CC(C)C[C@H](CNC(=O)[C@@]1(c2ccccc2)CC1(C)C)CC(=O)[O-] ZINC001603042476 972106210 /nfs/dbraw/zinc/10/62/10/972106210.db2.gz QFZMHGINZDFFQS-YWZLYKJASA-N -1 0 331.456 3.608 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)N(C(=O)NCc2cccc(C(=O)[O-])c2)C1 ZINC000840993021 955579153 /nfs/dbraw/zinc/57/91/53/955579153.db2.gz FOVOGAYNYDKSRZ-KBXCAEBGSA-N -1 0 338.407 3.678 20 0 EHADRM CC(C)C[C@H](NC(=O)Nc1cccc(F)c1C(C)(F)F)C(=O)[O-] ZINC001603047996 972111529 /nfs/dbraw/zinc/11/15/29/972111529.db2.gz IKPAWHVGJYIQEE-NSHDSACASA-N -1 0 332.322 3.558 20 0 EHADRM CC(C)Cc1ccc(CCC(=O)Nc2cccnc2C(=O)[O-])cc1 ZINC001603054192 972119455 /nfs/dbraw/zinc/11/94/55/972119455.db2.gz OKQUHHVGJQELEQ-UHFFFAOYSA-N -1 0 326.396 3.550 20 0 EHADRM CC(C)Cc1ccc([C@@H](NC(=O)N(C)C[C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC001603054455 972121373 /nfs/dbraw/zinc/12/13/73/972121373.db2.gz VGHNDZLAMPCVOH-RDTXWAMCSA-N -1 0 346.471 3.698 20 0 EHADRM CC(C)CC1CCN(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)CC1 ZINC000848595211 955769577 /nfs/dbraw/zinc/76/95/77/955769577.db2.gz FPSOZDHLWBNPLL-VNQPRFMTSA-N -1 0 338.492 3.590 20 0 EHADRM C[C@@H](CSc1ccccc1)N(C)C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001589077064 955829919 /nfs/dbraw/zinc/82/99/19/955829919.db2.gz PPZDEKFQXGLMQO-YXVBKTCISA-N -1 0 345.420 3.630 20 0 EHADRM C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc([C@H](C)C(=O)[O-])no1 ZINC001589080848 955852931 /nfs/dbraw/zinc/85/29/31/955852931.db2.gz VXPVYPSWQOVGDW-BDAKNGLRSA-N -1 0 328.290 3.623 20 0 EHADRM C[C@@H](C(=O)[O-])c1noc([C@@H](C)Cc2cccc(C(F)(F)F)c2)n1 ZINC001589080849 955852991 /nfs/dbraw/zinc/85/29/91/955852991.db2.gz VXPVYPSWQOVGDW-DTWKUNHWSA-N -1 0 328.290 3.623 20 0 EHADRM CC(C)C[C@H](CNC(=O)/C=C\c1csc(C(F)(F)F)c1)C(=O)[O-] ZINC000864122995 955950839 /nfs/dbraw/zinc/95/08/39/955950839.db2.gz ZKGBSRDWMDJQCJ-DLRQAJBASA-N -1 0 349.374 3.643 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000864137311 955960448 /nfs/dbraw/zinc/96/04/48/955960448.db2.gz SOMWPDMUQAMTEL-OBBGCOQJSA-N -1 0 343.354 3.665 20 0 EHADRM CN(C(=O)/C=C\c1ccc(C(=O)[O-])o1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000864158078 955971472 /nfs/dbraw/zinc/97/14/72/955971472.db2.gz ABDMNLVAZKDUDG-ISHASMORSA-N -1 0 345.317 3.571 20 0 EHADRM CC[C@H](c1cccc(OC)c1)N(C)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000864157128 955972156 /nfs/dbraw/zinc/97/21/56/955972156.db2.gz ILHNHDUPTUFBDW-HGPCXVNDSA-N -1 0 343.379 3.609 20 0 EHADRM C[C@H](NC(=O)NC1(C2CCCCC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589102504 956013373 /nfs/dbraw/zinc/01/33/73/956013373.db2.gz BEWGVXOXFIVGDI-AEGPPILISA-N -1 0 336.476 3.534 20 0 EHADRM C[C@H]1CCN(C(=O)c2sc3ccccc3c2Cl)[C@H](C(=O)[O-])C1 ZINC000388310533 972164715 /nfs/dbraw/zinc/16/47/15/972164715.db2.gz DURGRMBHIZJIPA-ONGXEEELSA-N -1 0 337.828 3.880 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2cc(C3CC3)oc2C2CC2)c1 ZINC000899296016 956275669 /nfs/dbraw/zinc/27/56/69/956275669.db2.gz SFEIXRDUEOZZGA-UHFFFAOYSA-N -1 0 325.364 3.663 20 0 EHADRM CC(C)c1ccc(C[C@@H]2CCN(C(=O)[C@@H](C(=O)[O-])C(C)C)C2)cc1 ZINC001603100472 972176061 /nfs/dbraw/zinc/17/60/61/972176061.db2.gz KOBQIWXYRJPGIS-WMZOPIPTSA-N -1 0 331.456 3.558 20 0 EHADRM CC(C)c1cccc2c1CCN(C(=O)C1(C(=O)[O-])CCCCC1)C2 ZINC001603106118 972180042 /nfs/dbraw/zinc/18/00/42/972180042.db2.gz ZQGRNYRUYQEUCY-UHFFFAOYSA-N -1 0 329.440 3.730 20 0 EHADRM C[C@H](NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])c1cccc2ccccc21 ZINC001589168676 956446031 /nfs/dbraw/zinc/44/60/31/956446031.db2.gz LJEXPLASJJKCOQ-AVGNSLFASA-N -1 0 331.437 3.612 20 0 EHADRM C[C@H](Sc1ccc(F)cc1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001589172287 956471630 /nfs/dbraw/zinc/47/16/30/956471630.db2.gz DTTXBNXFWUIGRR-NSHDSACASA-N -1 0 333.384 3.572 20 0 EHADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC001589175149 956491982 /nfs/dbraw/zinc/49/19/82/956491982.db2.gz OZTPILMRILIGDX-SNVBAGLBSA-N -1 0 333.775 3.658 20 0 EHADRM O=C([O-])/C=C\c1cc(C(=O)N2CCC[C@H]2CCc2ccccc2)co1 ZINC000901841219 956499160 /nfs/dbraw/zinc/49/91/60/956499160.db2.gz VPUYHMFRVAWWLY-MQNTZWLQSA-N -1 0 339.391 3.615 20 0 EHADRM C[C@H](c1ccccc1)N(C(=O)c1cccc(OCC(=O)[O-])c1)C1CC1 ZINC001589177673 956514210 /nfs/dbraw/zinc/51/42/10/956514210.db2.gz UHEQUZGNXNRSID-CQSZACIVSA-N -1 0 339.391 3.516 20 0 EHADRM CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001589191385 956596495 /nfs/dbraw/zinc/59/64/95/956596495.db2.gz ZVNLUPIEHRQLEU-GJZGRUSLSA-N -1 0 338.492 3.735 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)/C=C/Sc1cc(F)ccc1F ZINC001594670751 956616392 /nfs/dbraw/zinc/61/63/92/956616392.db2.gz UIIPEYYHKURFCX-BQYQJAHWSA-N -1 0 349.358 3.585 20 0 EHADRM O=C(/C=C\c1ccc(C(=O)[O-])o1)NCc1cc2ccccc2s1 ZINC001594672187 956621028 /nfs/dbraw/zinc/62/10/28/956621028.db2.gz BJGYYKFLBNAXKI-VURMDHGXSA-N -1 0 327.361 3.522 20 0 EHADRM O=C([O-])c1ccc(/C=C\C(=O)Nc2ccccc2OC(F)(F)F)o1 ZINC001594673789 956640491 /nfs/dbraw/zinc/64/04/91/956640491.db2.gz KJGKQNDPONFYEW-VURMDHGXSA-N -1 0 341.241 3.528 20 0 EHADRM CC1(C)CN(C(=O)c2coc(/C=C/C(=O)[O-])c2)[C@@H]1c1cccs1 ZINC000902099226 956651180 /nfs/dbraw/zinc/65/11/80/956651180.db2.gz VJEBZBXZQRVWFL-LLYBFZRZSA-N -1 0 331.393 3.662 20 0 EHADRM CC1(C)[C@@H](c2ccccc2)CCN1C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001589210026 956680970 /nfs/dbraw/zinc/68/09/70/956680970.db2.gz SMUABJQUFQMRRR-MRXNPFEDSA-N -1 0 339.395 3.580 20 0 EHADRM CC1(C)C[C@H](NC(=O)c2ccc(C(=O)[O-])cc2)c2cc(F)ccc2O1 ZINC001589211557 956693735 /nfs/dbraw/zinc/69/37/35/956693735.db2.gz LSHIBFVMAWOVIL-HNNXBMFYSA-N -1 0 343.354 3.556 20 0 EHADRM O=C([O-])C1CCC(NC(=O)CCSc2cccc(Cl)c2)CC1 ZINC001594687797 956719860 /nfs/dbraw/zinc/71/98/60/956719860.db2.gz KWXKTNXYPXFZCD-UHFFFAOYSA-N -1 0 341.860 3.582 20 0 EHADRM CC1(C)[C@H](c2cccc(Cl)c2)CCN1C(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC000902647731 956758449 /nfs/dbraw/zinc/75/84/49/956758449.db2.gz VCAWAQOJRMEADR-KFWWJZLASA-N -1 0 335.831 3.545 20 0 EHADRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Oc1cc(Cl)cc(Br)c1 ZINC001589220036 956763209 /nfs/dbraw/zinc/76/32/09/956763209.db2.gz JSNCJQWTTHOCNR-ZDUSSCGKSA-N -1 0 347.592 3.509 20 0 EHADRM CC1(C)CCC[C@H](NC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)C1 ZINC001589223532 956779372 /nfs/dbraw/zinc/77/93/72/956779372.db2.gz AOLNCLVCNCPFCM-VBNZEHGJSA-N -1 0 330.428 3.568 20 0 EHADRM O=C([O-])CC[C@H]1Cc2ccccc2N(C(=O)[C@H]2CCCC23CC3)C1 ZINC000902818838 956806189 /nfs/dbraw/zinc/80/61/89/956806189.db2.gz BVTTWMNKYQFHMG-GOEBONIOSA-N -1 0 327.424 3.637 20 0 EHADRM CC1(C)CN(C(=O)Nc2cccc(CC(=O)[O-])c2)[C@H]1c1ccco1 ZINC001589229857 956815247 /nfs/dbraw/zinc/81/52/47/956815247.db2.gz KAPAQIVEJIQGDI-INIZCTEOSA-N -1 0 328.368 3.522 20 0 EHADRM COCCN(C(=O)Nc1ccccc1C(=O)[O-])[C@H](C)c1ccccc1 ZINC001593995209 956880433 /nfs/dbraw/zinc/88/04/33/956880433.db2.gz JFLSXFPUQFEIQF-CQSZACIVSA-N -1 0 342.395 3.626 20 0 EHADRM O=C([O-])COc1ccc(C(=O)/C=C/c2c(F)cccc2Cl)cc1 ZINC000008321909 956886086 /nfs/dbraw/zinc/88/60/86/956886086.db2.gz GAVGPRDUAGAKGP-CMDGGOBGSA-N -1 0 334.730 3.839 20 0 EHADRM O=C([O-])[C@@H](NC(=O)c1cc2ccccc2s1)c1ccc(F)cc1 ZINC001594716592 956936521 /nfs/dbraw/zinc/93/65/21/956936521.db2.gz XYAFUEKXYRKSDL-HNNXBMFYSA-N -1 0 329.352 3.596 20 0 EHADRM CN(C(=O)COc1c(C(=O)[O-])ccc2ccccc21)c1ccccc1 ZINC000013085956 956938691 /nfs/dbraw/zinc/93/86/91/956938691.db2.gz HAJZYNFVRUYBOD-UHFFFAOYSA-N -1 0 335.359 3.580 20 0 EHADRM O=C([O-])C1(NC(=O)c2cccc(Oc3ccccc3)c2)CCCCC1 ZINC000013168217 956950713 /nfs/dbraw/zinc/95/07/13/956950713.db2.gz PJPBYTVDITVTAD-UHFFFAOYSA-N -1 0 339.391 3.996 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc2ccccc2c1)c1ccc(F)cc1 ZINC000013176060 956956272 /nfs/dbraw/zinc/95/62/72/956956272.db2.gz IHOBHMPOQNVKSZ-GOSISDBHSA-N -1 0 337.350 3.925 20 0 EHADRM Cc1ccc(SCC(=O)N[C@H](CC(=O)[O-])c2ccc(C)cc2)cc1 ZINC000013180922 956966502 /nfs/dbraw/zinc/96/65/02/956966502.db2.gz JEQOSRLAEMBILK-QGZVFWFLSA-N -1 0 343.448 3.728 20 0 EHADRM CCc1ccc(CCC(=O)N[C@@H](CC(=O)[O-])c2ccc(C)cc2)cc1 ZINC000013181806 956966716 /nfs/dbraw/zinc/96/67/16/956966716.db2.gz BDKHRFRIKYZJDO-IBGZPJMESA-N -1 0 339.435 3.822 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC000909157669 957006186 /nfs/dbraw/zinc/00/61/86/957006186.db2.gz QTILLLSJEWIKSO-HPUBIQBYSA-N -1 0 347.455 3.729 20 0 EHADRM CC(C)c1ccccc1OCC(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000013388220 957039598 /nfs/dbraw/zinc/03/95/98/957039598.db2.gz XBVDBSIPDOZLOY-CQSZACIVSA-N -1 0 347.436 3.583 20 0 EHADRM Cc1c(NC(=O)c2cc(C)cc(C(=O)[O-])c2)cnn1C1CCCC1 ZINC000910656850 957049559 /nfs/dbraw/zinc/04/95/59/957049559.db2.gz RKCUSAQSSFWKAA-UHFFFAOYSA-N -1 0 327.384 3.566 20 0 EHADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1cc2cc(F)ccc2s1 ZINC000013449539 957088090 /nfs/dbraw/zinc/08/80/90/957088090.db2.gz TYNKUXCHIIFTMB-UHFFFAOYSA-N -1 0 341.363 3.942 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C2(CCc3ccccc3)CC2)Cc2ccccc21 ZINC000923069630 957099044 /nfs/dbraw/zinc/09/90/44/957099044.db2.gz INBONHXVIGPPBB-LJQANCHMSA-N -1 0 349.430 3.610 20 0 EHADRM CCCN(C)c1ccccc1NC(=O)N1CCC[C@](CC)(C(=O)[O-])C1 ZINC000926183622 957147527 /nfs/dbraw/zinc/14/75/27/957147527.db2.gz NJWLYSZYENWGJL-IBGZPJMESA-N -1 0 347.459 3.642 20 0 EHADRM O=C([O-])c1c(F)ccc(NC(=O)NC[C@@H]2CCCCC2(F)F)c1F ZINC000389815741 972249130 /nfs/dbraw/zinc/24/91/30/972249130.db2.gz LWPINWPVWAIZSM-QMMMGPOBSA-N -1 0 348.296 3.610 20 0 EHADRM CC(C)(COCc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000389949159 972256929 /nfs/dbraw/zinc/25/69/29/972256929.db2.gz RGPZANKRYSGKQK-UHFFFAOYSA-N -1 0 342.395 3.502 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)c2ccc(Br)cc2)c1 ZINC000037403322 957275338 /nfs/dbraw/zinc/27/53/38/957275338.db2.gz JIHBNVFXQVMIKF-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2cc3c(C)nn(C)c3s2)s1 ZINC000390064185 972262900 /nfs/dbraw/zinc/26/29/00/972262900.db2.gz QYDBXMRBVNYVJN-UHFFFAOYSA-N -1 0 349.437 3.518 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)NC[C@H](C)c1c(Cl)cccc1Cl ZINC001603167103 972265140 /nfs/dbraw/zinc/26/51/40/972265140.db2.gz XYYXOCIFQODIJY-CABZTGNLSA-N -1 0 332.227 3.570 20 0 EHADRM O=C([O-])c1ccc2c(=O)[nH]c(Cc3ccc(Cl)c(Cl)c3)nc2c1 ZINC000043194343 957429752 /nfs/dbraw/zinc/42/97/52/957429752.db2.gz BWCBXONDFPGKJQ-UHFFFAOYSA-N -1 0 349.173 3.519 20 0 EHADRM Cc1cc(C(=O)[O-])ccc1NC(=O)CSCc1ccc(F)cc1 ZINC000390339826 972276943 /nfs/dbraw/zinc/27/69/43/972276943.db2.gz MFFGYVMMVNXKSM-UHFFFAOYSA-N -1 0 333.384 3.704 20 0 EHADRM CCCN1Cc2cccc(NC(=O)CC3(CC(=O)[O-])CCCC3)c2C1 ZINC000066965842 957645303 /nfs/dbraw/zinc/64/53/03/957645303.db2.gz DSMZMKAUFTZYSR-UHFFFAOYSA-N -1 0 344.455 3.776 20 0 EHADRM Cc1ccc(CCC(=O)Nc2ccc(CC(=O)[O-])cc2)cc1Cl ZINC000390397874 972281524 /nfs/dbraw/zinc/28/15/24/972281524.db2.gz GPOFYDOBKGBGKC-UHFFFAOYSA-N -1 0 331.799 3.847 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)CCCc1c(F)cccc1F ZINC001574738748 957681094 /nfs/dbraw/zinc/68/10/94/957681094.db2.gz KQSAZEJZZUXVPU-UHFFFAOYSA-N -1 0 333.334 3.553 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)c1 ZINC001574738959 957683943 /nfs/dbraw/zinc/68/39/43/957683943.db2.gz MBKCWASFVPFBFG-GOEBONIOSA-N -1 0 344.798 3.645 20 0 EHADRM C[C@H](CNc1ncc(C(=O)[O-])cc1Cl)COCc1ccccc1 ZINC000390447326 972286113 /nfs/dbraw/zinc/28/61/13/972286113.db2.gz SUQQBOKUZWNFQX-GFCCVEGCSA-N -1 0 334.803 3.698 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2cc(C(F)(F)F)ccc2O)c1 ZINC001594288479 957798630 /nfs/dbraw/zinc/79/86/30/957798630.db2.gz RLJICCVHESJDFR-UHFFFAOYSA-N -1 0 339.269 3.670 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)c1 ZINC001594289110 957806963 /nfs/dbraw/zinc/80/69/63/957806963.db2.gz PYUGXNFTIOCPCS-UHFFFAOYSA-N -1 0 349.390 3.710 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)Nc2ccc(N(C)C)c(Cl)c2)c1 ZINC001594289072 957807531 /nfs/dbraw/zinc/80/75/31/957807531.db2.gz PEUJXEMXOOPEDA-UHFFFAOYSA-N -1 0 332.787 3.665 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CS(=O)(=O)Cc1ccccc1 ZINC000390637159 972296194 /nfs/dbraw/zinc/29/61/94/972296194.db2.gz OXRVJQIXXRNGOZ-UHFFFAOYSA-N -1 0 346.429 3.715 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2ccc([C@H]3CCCOC3)cc2)cc1 ZINC001574803264 957845614 /nfs/dbraw/zinc/84/56/14/957845614.db2.gz XKKHQXHUOADEDR-SFHVURJKSA-N -1 0 340.375 3.636 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2sccc2Br)cc1 ZINC001574803291 957847921 /nfs/dbraw/zinc/84/79/21/957847921.db2.gz ZAGVKVYOMABEGL-UHFFFAOYSA-N -1 0 341.182 3.566 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)N1CCCCC[C@@H]1C(F)(F)F ZINC001574815492 957889293 /nfs/dbraw/zinc/88/92/93/957889293.db2.gz ZDUHGYYIXWSORS-GFCCVEGCSA-N -1 0 330.306 3.724 20 0 EHADRM O=C([O-])c1cncc(NC(=O)c2ccc3c(c2)-c2ccccc2C3)c1 ZINC001574818492 957895719 /nfs/dbraw/zinc/89/57/19/957895719.db2.gz NEOLBAAQJIUASP-UHFFFAOYSA-N -1 0 330.343 3.603 20 0 EHADRM O=C([O-])c1ccnc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC001574820189 957905505 /nfs/dbraw/zinc/90/55/05/957905505.db2.gz KJBXGTICKHLYFQ-UHFFFAOYSA-N -1 0 344.676 3.704 20 0 EHADRM O=C([O-])c1ncccc1NC(=O)N1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC001574821676 957913881 /nfs/dbraw/zinc/91/38/81/957913881.db2.gz FOEFTQNUSJRFPG-QGZVFWFLSA-N -1 0 349.390 3.705 20 0 EHADRM Cc1ccc([C@@H](NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)C2CC2)cc1 ZINC001341226116 957948833 /nfs/dbraw/zinc/94/88/33/957948833.db2.gz PETZGNXLUBAKBB-DNVCBOLYSA-N -1 0 344.455 3.733 20 0 EHADRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)/C=C/c2ccc(SC)s2)C1 ZINC001341236503 957950341 /nfs/dbraw/zinc/95/03/41/957950341.db2.gz CWWLDVVBGFTQEB-BIENSFFJSA-N -1 0 339.482 3.587 20 0 EHADRM Cc1cc(N2CCCCCC2)ccc1NC(=O)[C@H](C(=O)[O-])C(C)C ZINC001594312014 958042115 /nfs/dbraw/zinc/04/21/15/958042115.db2.gz TVKVAEQKLKOXAP-QGZVFWFLSA-N -1 0 332.444 3.671 20 0 EHADRM Cc1cc(NC(=O)N2C[C@@H](C)C[C@H]2c2cccnc2)ccc1C(=O)[O-] ZINC001594317817 958089646 /nfs/dbraw/zinc/08/96/46/958089646.db2.gz FLJFFBVGHOAQHO-SJCJKPOMSA-N -1 0 339.395 3.703 20 0 EHADRM COc1cc(F)c(C(=O)OCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC001594061332 958093183 /nfs/dbraw/zinc/09/31/83/958093183.db2.gz VOFRHCWWXJMKRK-UHFFFAOYSA-N -1 0 338.718 3.543 20 0 EHADRM Cc1cc(NC(=O)N[C@H](C)CCCc2cccnc2)ccc1C(=O)[O-] ZINC001594320242 958122311 /nfs/dbraw/zinc/12/23/11/958122311.db2.gz KJDFSWMJCVWUMD-CQSZACIVSA-N -1 0 341.411 3.621 20 0 EHADRM COc1cc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)c2ccccc2n1 ZINC001594065612 958129005 /nfs/dbraw/zinc/12/90/05/958129005.db2.gz MXSBZPVQFSNOTN-UHFFFAOYSA-N -1 0 336.347 3.502 20 0 EHADRM C[C@@H](Cc1nc([C@H](C)C(=O)[O-])no1)c1ccccc1C(F)(F)F ZINC001603208603 972321979 /nfs/dbraw/zinc/32/19/79/972321979.db2.gz XDRZQBHRFFBKKG-IUCAKERBSA-N -1 0 328.290 3.623 20 0 EHADRM C[C@H](NC(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1)c1csc2ccccc21 ZINC001353058633 958139624 /nfs/dbraw/zinc/13/96/24/958139624.db2.gz OHMSWXQRLUEKRA-OBJOEFQTSA-N -1 0 346.452 3.715 20 0 EHADRM Cc1cc(NCc2cnn(Cc3ccc(F)cc3)c2)ccc1C(=O)[O-] ZINC001594325271 958161188 /nfs/dbraw/zinc/16/11/88/958161188.db2.gz MFYWQHGSOHFTSA-UHFFFAOYSA-N -1 0 339.370 3.689 20 0 EHADRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc(-c3ccccc3)ns2)C1 ZINC001355029106 958171815 /nfs/dbraw/zinc/17/18/15/958171815.db2.gz YJFVBENFDVLXMU-SFHVURJKSA-N -1 0 344.436 3.527 20 0 EHADRM CC[C@@H](CNC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1)C(=O)[O-] ZINC001357173859 958189791 /nfs/dbraw/zinc/18/97/91/958189791.db2.gz HOVBYMHAWVEAPQ-GUYCJALGSA-N -1 0 343.427 3.515 20 0 EHADRM CC[C@H](CNC(=O)N(C)Cc1ccccc1-c1ccccc1)C(=O)[O-] ZINC001521226611 958227386 /nfs/dbraw/zinc/22/73/86/958227386.db2.gz MQLGZRQIYLEYKA-OAHLLOKOSA-N -1 0 340.423 3.606 20 0 EHADRM Cc1ccc(-c2ncc(-c3nc([C@H](C)C(=O)[O-])no3)s2)c(C)c1 ZINC001594335161 958257242 /nfs/dbraw/zinc/25/72/42/958257242.db2.gz DGJLSDHFACEUAZ-JTQLQIEISA-N -1 0 329.381 3.665 20 0 EHADRM COc1ccc(C(=O)[O-])cc1COc1cccc(C(F)(F)F)c1 ZINC000391449958 972337963 /nfs/dbraw/zinc/33/79/63/972337963.db2.gz FHHBJDCUMKMVGN-UHFFFAOYSA-N -1 0 326.270 3.991 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC001594349498 958336236 /nfs/dbraw/zinc/33/62/36/958336236.db2.gz JVOGWWWFKYOQDY-DAYGRLMNSA-N -1 0 347.455 3.597 20 0 EHADRM Cc1ccc(Br)cc1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000108655825 958377157 /nfs/dbraw/zinc/37/71/57/958377157.db2.gz FXJKACPYISFRHN-MNOVXSKESA-N -1 0 340.217 3.587 20 0 EHADRM O=C([O-])c1cnc(/C=C/c2ccc(F)c(Br)c2)s1 ZINC000109848951 958380129 /nfs/dbraw/zinc/38/01/29/958380129.db2.gz LGFJIOVSIIMGSE-DUXPYHPUSA-N -1 0 328.162 3.913 20 0 EHADRM Cc1ccc(CC(=O)N2C[C@@H](CCC(=O)[O-])Cc3ccccc32)cc1 ZINC001594353591 958386003 /nfs/dbraw/zinc/38/60/03/958386003.db2.gz MOMSPFBYUYTJJO-KRWDZBQOSA-N -1 0 337.419 3.608 20 0 EHADRM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)NC[C@@H](C(=O)[O-])C(C)C)cc1 ZINC001594353799 958390676 /nfs/dbraw/zinc/39/06/76/958390676.db2.gz IXSRJEHAKSIOGZ-KSZLIROESA-N -1 0 346.471 3.629 20 0 EHADRM O=C([O-])Cc1ccccc1CSc1ncccc1Br ZINC000123310923 958498440 /nfs/dbraw/zinc/49/84/40/958498440.db2.gz IRUBWOAHZALORN-UHFFFAOYSA-N -1 0 338.226 3.764 20 0 EHADRM O=C([O-])c1cccc(NC(=O)Cc2nc(C3CCCC3)cs2)c1 ZINC001605725917 972353596 /nfs/dbraw/zinc/35/35/96/972353596.db2.gz SWIVSLIEMYKDPQ-UHFFFAOYSA-N -1 0 330.409 3.680 20 0 EHADRM Cc1ccc(Sc2ccc(NC(=O)NCC(=O)[O-])cc2)cc1C ZINC001594377618 958605569 /nfs/dbraw/zinc/60/55/69/958605569.db2.gz GLIMTAVUJOUWJS-UHFFFAOYSA-N -1 0 330.409 3.661 20 0 EHADRM Cc1ccc2[nH]c(C(=O)N[C@H]3C[C@@H](C(=O)[O-])c4ccccc43)cc2c1 ZINC001594381466 958627812 /nfs/dbraw/zinc/62/78/12/958627812.db2.gz KUMDCFPMSZIBLR-WBVHZDCISA-N -1 0 334.375 3.519 20 0 EHADRM CCc1cc(Br)ccc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000127980638 958628292 /nfs/dbraw/zinc/62/82/92/958628292.db2.gz XLFWKDSNXQVGIN-UHFFFAOYSA-N -1 0 342.233 3.841 20 0 EHADRM Cc1cccc([C@@H](NC(=O)[C@H](C)CSc2ccccc2)C(=O)[O-])c1 ZINC001594390614 958711911 /nfs/dbraw/zinc/71/19/11/958711911.db2.gz YIGVWPZPDIWNEU-RHSMWYFYSA-N -1 0 343.448 3.665 20 0 EHADRM C[C@H](NC(=O)Nc1nc2ccccc2s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603236436 972371532 /nfs/dbraw/zinc/37/15/32/972371532.db2.gz IOFZWVTWXAUVRT-GARJFASQSA-N -1 0 347.440 3.553 20 0 EHADRM Cc1cc(Br)cc(C(=O)Nc2ccc(CC(=O)[O-])cc2)c1 ZINC000130624888 958736209 /nfs/dbraw/zinc/73/62/09/958736209.db2.gz QGNGQOURSIHIJN-UHFFFAOYSA-N -1 0 348.196 3.637 20 0 EHADRM Cc1cccc([C@H](NC(=O)OCc2cccc(Cl)c2)C(=O)[O-])c1 ZINC001594391848 958736387 /nfs/dbraw/zinc/73/63/87/958736387.db2.gz BGFSUIDXNGHANO-HNNXBMFYSA-N -1 0 333.771 3.701 20 0 EHADRM Cc1cccc([C@H](NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)C(=O)[O-])c1 ZINC001594394563 958759212 /nfs/dbraw/zinc/75/92/12/958759212.db2.gz XDWUZTWHUQWSDX-IHRRRGAJSA-N -1 0 343.345 3.606 20 0 EHADRM O=C([O-])C1(NC(=O)c2coc(C3CCCCC3)n2)CCCCCC1 ZINC001605736659 972378412 /nfs/dbraw/zinc/37/84/12/972378412.db2.gz YRUNAGUIHHAVAU-UHFFFAOYSA-N -1 0 334.416 3.630 20 0 EHADRM Cc1cccc([C@@H]2CCN(C(=O)C3(C(=O)[O-])CCCCCC3)C2)c1 ZINC001594407832 958915031 /nfs/dbraw/zinc/91/50/31/958915031.db2.gz CYPQKDCBXSZUEB-QGZVFWFLSA-N -1 0 329.440 3.736 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])s2)ccc1Br ZINC000137443450 958926656 /nfs/dbraw/zinc/92/66/56/958926656.db2.gz FHJJIPNDUXNGBW-UHFFFAOYSA-N -1 0 340.198 3.770 20 0 EHADRM Cc1cccc(Oc2ccc(C(=O)Nc3ccnc(C(=O)[O-])c3)nc2)c1 ZINC001594408838 958928159 /nfs/dbraw/zinc/92/81/59/958928159.db2.gz GPSIKPLTDGRRLI-UHFFFAOYSA-N -1 0 349.346 3.528 20 0 EHADRM O=C([O-])c1ccc(COc2ccc(F)c(Br)c2)cc1 ZINC000137484736 958931912 /nfs/dbraw/zinc/93/19/12/958931912.db2.gz UNSIIGKUISJLTR-UHFFFAOYSA-N -1 0 325.133 3.865 20 0 EHADRM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC001594410987 958949331 /nfs/dbraw/zinc/94/93/31/958949331.db2.gz IMKSMJWSOODAQS-FXUDXRNXSA-N -1 0 329.440 3.688 20 0 EHADRM CC(C)(CNC(=O)[C@H](C(=O)[O-])C1CCCC1)c1ccc(Cl)cc1 ZINC001573474659 958954793 /nfs/dbraw/zinc/95/47/93/958954793.db2.gz HLWBRCSBXGAZSW-OAHLLOKOSA-N -1 0 337.847 3.625 20 0 EHADRM Cc1cccc2cc(C(=O)N3CCCC[C@@H]3CC(=O)[O-])c(Cl)nc12 ZINC001594412697 958959011 /nfs/dbraw/zinc/95/90/11/958959011.db2.gz LOJVSCRUSMKNIQ-CYBMUJFWSA-N -1 0 346.814 3.666 20 0 EHADRM Cc1cccc2sc(NC(=O)c3coc(/C=C\C(=O)[O-])c3)nc21 ZINC001594413489 958971020 /nfs/dbraw/zinc/97/10/20/958971020.db2.gz DHVARXMCVLCHHF-WAYWQWQTSA-N -1 0 328.349 3.548 20 0 EHADRM Cc1cccc2sc(NC(=O)c3coc(/C=C/C(=O)[O-])c3)nc21 ZINC001594413488 958971029 /nfs/dbraw/zinc/97/10/29/958971029.db2.gz DHVARXMCVLCHHF-AATRIKPKSA-N -1 0 328.349 3.548 20 0 EHADRM Cc1ccccc1[C@@H](NC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C(C)(C)C ZINC001594415503 958994614 /nfs/dbraw/zinc/99/46/14/958994614.db2.gz KUXYMFXBBRHELD-IJEWVQPXSA-N -1 0 332.444 3.635 20 0 EHADRM CC(C)[C@@H](CCc1ccccc1)C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001573490019 959011668 /nfs/dbraw/zinc/01/16/68/959011668.db2.gz MALVDNMHVITCLF-MRXNPFEDSA-N -1 0 326.396 3.623 20 0 EHADRM CC(C)[C@H](CNC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001573490922 959023314 /nfs/dbraw/zinc/02/33/14/959023314.db2.gz DUQPQVLVDNSVSP-SFHVURJKSA-N -1 0 340.423 3.624 20 0 EHADRM O=C([O-])c1cccc(F)c1NC(=O)c1ccccc1Br ZINC000150171064 959033473 /nfs/dbraw/zinc/03/34/73/959033473.db2.gz KFOJJFWTPVMEFW-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM O=C([O-])c1ccccc1NC(=O)c1cccc(F)c1Br ZINC000155676875 959041732 /nfs/dbraw/zinc/04/17/32/959041732.db2.gz YIAIWKWQDAYOMA-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM C[C@H](C(=O)Nc1ccc(O)c(C(=O)[O-])c1)c1ccc(Cl)s1 ZINC001588558106 959078546 /nfs/dbraw/zinc/07/85/46/959078546.db2.gz QYOXFGPATLZZMT-ZETCQYMHSA-N -1 0 325.773 3.548 20 0 EHADRM Cc1ccnc2ccc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc12 ZINC001594425078 959108051 /nfs/dbraw/zinc/10/80/51/959108051.db2.gz BQPYZKLKISZROC-INIZCTEOSA-N -1 0 328.412 3.553 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)N(Cc1ccccc1Cl)c1ccc(F)cc1 ZINC001588565039 959130964 /nfs/dbraw/zinc/13/09/64/959130964.db2.gz OCTCYHOUYUTBNS-NSHDSACASA-N -1 0 335.762 3.733 20 0 EHADRM Cc1cnc2c(NC(=O)C3(C(=O)[O-])CC=CC3)cccc2c1Cl ZINC001594429761 959164479 /nfs/dbraw/zinc/16/44/79/959164479.db2.gz DVVFBRJUESBUET-UHFFFAOYSA-N -1 0 330.771 3.556 20 0 EHADRM CC(C)C[C@H](NC(=O)C(F)(F)c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001573537244 959180860 /nfs/dbraw/zinc/18/08/60/959180860.db2.gz XNUHTJJJWAIYAA-AWEZNQCLSA-N -1 0 341.398 3.691 20 0 EHADRM CC(C)Cn1cc(C(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])c2ccccc21 ZINC001573543444 959192947 /nfs/dbraw/zinc/19/29/47/959192947.db2.gz FEJYHSBAWTUQLG-KBXCAEBGSA-N -1 0 342.439 3.623 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccn2)c1 ZINC001573544034 959198966 /nfs/dbraw/zinc/19/89/66/959198966.db2.gz POKBVAOTUTYZRP-CYBMUJFWSA-N -1 0 326.396 3.721 20 0 EHADRM CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001573547142 959213964 /nfs/dbraw/zinc/21/39/64/959213964.db2.gz JAQAWXQEUFOKPT-UONOGXRCSA-N -1 0 343.345 3.553 20 0 EHADRM C[C@H](C(=O)[O-])C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC001588575352 959217070 /nfs/dbraw/zinc/21/70/70/959217070.db2.gz BEJNLIWPAPICIN-JTQLQIEISA-N -1 0 326.377 3.623 20 0 EHADRM O=C([O-])c1ccc(COc2cc(Br)ccc2F)cc1 ZINC000164769499 959261951 /nfs/dbraw/zinc/26/19/51/959261951.db2.gz JCWKNIZCGXCKTR-UHFFFAOYSA-N -1 0 325.133 3.865 20 0 EHADRM Cc1csc(Nc2cccc(NC(=O)[C@@]3(C(=O)[O-])CC3(C)C)c2)n1 ZINC001594440696 959262428 /nfs/dbraw/zinc/26/24/28/959262428.db2.gz PDNJEQDXVKDEDP-QGZVFWFLSA-N -1 0 345.424 3.635 20 0 EHADRM C[C@H](NC(=O)C1(C(=O)[O-])CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000165028924 959269051 /nfs/dbraw/zinc/26/90/51/959269051.db2.gz NHDBSGQMKIOEPQ-LBPRGKRZSA-N -1 0 343.354 3.660 20 0 EHADRM C[C@@H](C(=O)[O-])C(=O)O[C@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC001588583476 959278434 /nfs/dbraw/zinc/27/84/34/959278434.db2.gz BLQXVNLBISXNCU-IMTBSYHQSA-N -1 0 344.207 3.573 20 0 EHADRM CC(C)c1ccc(SCC(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])cc1 ZINC001573567006 959292259 /nfs/dbraw/zinc/29/22/59/959292259.db2.gz PIXWDOIZKKUKLH-CXAGYDPISA-N -1 0 335.469 3.614 20 0 EHADRM CC(C)c1ccc(SCC(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])cc1 ZINC001573567007 959292804 /nfs/dbraw/zinc/29/28/04/959292804.db2.gz PIXWDOIZKKUKLH-DYVFJYSZSA-N -1 0 335.469 3.614 20 0 EHADRM C[C@@H](OC(=O)[C@]1(C(=O)[O-])CC=CCC1)c1cccc(OC(F)F)c1 ZINC001594211871 959295937 /nfs/dbraw/zinc/29/59/37/959295937.db2.gz VMOAPIYLCQTJOE-PIGZYNQJSA-N -1 0 340.322 3.703 20 0 EHADRM CC(C)c1ccc(CCCNC(=O)NCCC(C)(C)C(=O)[O-])cc1 ZINC001573567492 959296878 /nfs/dbraw/zinc/29/68/78/959296878.db2.gz ZHPHDMUIWRCTMY-UHFFFAOYSA-N -1 0 334.460 3.543 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@@H](C)[C@@H]1C(=O)[O-])Cc1ccc(Cl)cc1 ZINC001573576995 959334992 /nfs/dbraw/zinc/33/49/92/959334992.db2.gz SADVRRZGJJHNMB-OGHNNQOOSA-N -1 0 337.847 3.620 20 0 EHADRM C[C@@H](C(=O)[O-])c1noc(-c2csc(-c3ccc(Cl)cc3)n2)n1 ZINC001588602076 959431267 /nfs/dbraw/zinc/43/12/67/959431267.db2.gz CLBLEXGNKJPEAD-SSDOTTSWSA-N -1 0 335.772 3.702 20 0 EHADRM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1cc(C(=O)[O-])co1 ZINC000183808161 959451834 /nfs/dbraw/zinc/45/18/34/959451834.db2.gz YCPXURJVKPEKKJ-UHFFFAOYSA-N -1 0 328.151 3.557 20 0 EHADRM O=C([O-])c1coc(C(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)c1 ZINC000183806215 959451929 /nfs/dbraw/zinc/45/19/29/959451929.db2.gz GZNOBIZYHBBGSP-SFHVURJKSA-N -1 0 347.370 3.766 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N(CCC(=O)[O-])CC(C)C)s2)o1 ZINC000190696024 959519099 /nfs/dbraw/zinc/51/90/99/959519099.db2.gz BZRCPWDOBIXZSG-UHFFFAOYSA-N -1 0 335.425 3.889 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C1CCC(F)(F)CC1 ZINC000190738627 959520644 /nfs/dbraw/zinc/52/06/44/959520644.db2.gz YPIMLOSMUQPCKU-UHFFFAOYSA-N -1 0 341.354 3.936 20 0 EHADRM O=C([O-])CCCCCNC(=O)Cc1csc2ccc(Cl)cc12 ZINC000190877346 959526415 /nfs/dbraw/zinc/52/64/15/959526415.db2.gz NCZNUSNHYVVGPY-UHFFFAOYSA-N -1 0 339.844 3.858 20 0 EHADRM CC(C)[C@H]1CCCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC000392269759 972437115 /nfs/dbraw/zinc/43/71/15/972437115.db2.gz KBBNDUNEIYCLKV-NSHDSACASA-N -1 0 340.370 3.953 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)C1CCC(F)(F)CC1 ZINC000191202722 959545436 /nfs/dbraw/zinc/54/54/36/959545436.db2.gz MWDXOZQIOGSTRF-UHFFFAOYSA-N -1 0 339.382 3.706 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)[C@@H](C)Cc2ccccc2)cc1)C(=O)[O-] ZINC000191401502 959560535 /nfs/dbraw/zinc/56/05/35/959560535.db2.gz LRHKTMTZEONTOA-LSDHHAIUSA-N -1 0 325.408 3.767 20 0 EHADRM Cc1cccc(CCC(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC000191413443 959561898 /nfs/dbraw/zinc/56/18/98/959561898.db2.gz TZKQSNLBXSSKPW-OAHLLOKOSA-N -1 0 325.408 3.830 20 0 EHADRM Cc1ncoc1-c1ccc(NC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)cc1 ZINC001594475914 959599096 /nfs/dbraw/zinc/59/90/96/959599096.db2.gz ZXFFFDIBONXLFF-UHFFFAOYSA-N -1 0 342.395 3.726 20 0 EHADRM CCCc1sc(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)cc1CC ZINC000193004805 959605188 /nfs/dbraw/zinc/60/51/88/959605188.db2.gz PYQFPUXMSAKAJC-UHFFFAOYSA-N -1 0 349.456 3.532 20 0 EHADRM Cc1cc(Cl)c(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)cc1C ZINC000193076444 959611752 /nfs/dbraw/zinc/61/17/52/959611752.db2.gz LXIFSUQGIGUSDL-IBGZPJMESA-N -1 0 345.826 3.729 20 0 EHADRM COc1cc(NC(=O)CC2(CC(=O)[O-])CCCC2)ccc1Cl ZINC000193258725 959618539 /nfs/dbraw/zinc/61/85/39/959618539.db2.gz RCFGWRHPXLSGGN-UHFFFAOYSA-N -1 0 325.792 3.712 20 0 EHADRM CCn1cc(C(=O)Nc2cc(C(=O)[O-])ccc2F)c2ccccc21 ZINC000195203987 959623021 /nfs/dbraw/zinc/62/30/21/959623021.db2.gz ZPZYYQOAELWCJC-UHFFFAOYSA-N -1 0 326.327 3.751 20 0 EHADRM Cc1c(F)c(F)ccc1NC(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001594266249 959740968 /nfs/dbraw/zinc/74/09/68/959740968.db2.gz GAKKJGQEIIMGIW-NSHDSACASA-N -1 0 328.359 3.532 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1N)C(=O)[O-] ZINC001588647069 959743655 /nfs/dbraw/zinc/74/36/55/959743655.db2.gz BLBPNTHLFFSAOF-LLVKDONJSA-N -1 0 347.242 3.585 20 0 EHADRM Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CCC[C@@]1(C)C(=O)[O-] ZINC001594266620 959744624 /nfs/dbraw/zinc/74/46/24/959744624.db2.gz KXMJLGZFODPYJW-KUHUBIRLSA-N -1 0 332.444 3.531 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)Nc1cnccc1C(F)(F)F)C(=O)[O-] ZINC001588650591 959763002 /nfs/dbraw/zinc/76/30/02/959763002.db2.gz MOVVOLTUZCTSNC-JTQLQIEISA-N -1 0 347.337 3.501 20 0 EHADRM CC(C)(C)CN(CC(=O)[O-])C(=O)C1(Cc2ccccc2Cl)CC1 ZINC001588651680 959773179 /nfs/dbraw/zinc/77/31/79/959773179.db2.gz OWFFQNJJDFPQKI-UHFFFAOYSA-N -1 0 337.847 3.622 20 0 EHADRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)CC2(CSc3ccccc3)CC2)C1 ZINC001573700170 959825696 /nfs/dbraw/zinc/82/56/96/959825696.db2.gz WZODISYBFNHEHN-LSDHHAIUSA-N -1 0 347.480 3.518 20 0 EHADRM CC1CCC(N(C(=O)NCc2ccccc2C(=O)[O-])C2CC2)CC1 ZINC001573715891 959867999 /nfs/dbraw/zinc/86/79/99/959867999.db2.gz KPEMXKWHUNDIPF-UHFFFAOYSA-N -1 0 330.428 3.638 20 0 EHADRM C[C@H]1CCCN(C(=O)CCc2ccc(-c3ccccc3)o2)[C@H]1C(=O)[O-] ZINC001573725145 959891572 /nfs/dbraw/zinc/89/15/72/959891572.db2.gz BTXVRNUZWFJLBV-IFXJQAMLSA-N -1 0 341.407 3.591 20 0 EHADRM COc1ccccc1[C@@H](CC(C)C)OC(=O)c1ccc(C(=O)[O-])nc1 ZINC001574237572 960441299 /nfs/dbraw/zinc/44/12/99/960441299.db2.gz XXFNQVPSFXUQHM-QGZVFWFLSA-N -1 0 343.379 3.733 20 0 EHADRM Cc1oc(CNc2cc(Br)c(F)cc2F)cc1C(=O)[O-] ZINC000235975203 960544361 /nfs/dbraw/zinc/54/43/61/960544361.db2.gz BVMHVADKNPTHRU-UHFFFAOYSA-N -1 0 346.127 3.939 20 0 EHADRM O=C([O-])CCCCOc1cc(F)c(Cl)cc1Br ZINC000236419046 960570492 /nfs/dbraw/zinc/57/04/92/960570492.db2.gz MTSYTSFVMBNLOD-UHFFFAOYSA-N -1 0 325.561 3.875 20 0 EHADRM N#Cc1cc(N2CCc3ccc(C(=O)[O-])cc3C2)ccc1C(F)(F)F ZINC000392745334 972518049 /nfs/dbraw/zinc/51/80/49/972518049.db2.gz UCJNVEKJEFYIIH-UHFFFAOYSA-N -1 0 346.308 3.838 20 0 EHADRM O=C([O-])COc1ccc(-c2nc3ccc(F)cc3n2C2CC2)cc1 ZINC001250735603 960639777 /nfs/dbraw/zinc/63/97/77/960639777.db2.gz MFNOXEQWGHLRJI-UHFFFAOYSA-N -1 0 326.327 3.641 20 0 EHADRM CC[C@H](C)c1ccc(COC(=O)C2(CC(=O)[O-])CCOCC2)cc1 ZINC001573776096 960679158 /nfs/dbraw/zinc/67/91/58/960679158.db2.gz HCBBLHZASQBTMQ-AWEZNQCLSA-N -1 0 334.412 3.515 20 0 EHADRM CC(C)(NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC000236677698 960731739 /nfs/dbraw/zinc/73/17/39/960731739.db2.gz KETXFCDNJOBFFZ-CSKARUKUSA-N -1 0 333.384 3.547 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000236692533 960732973 /nfs/dbraw/zinc/73/29/73/960732973.db2.gz IRTSHJSKVLAJAS-UHFFFAOYSA-N -1 0 335.787 3.783 20 0 EHADRM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCO[C@H](c2ccc(Cl)s2)C1 ZINC001261517533 960741092 /nfs/dbraw/zinc/74/10/92/960741092.db2.gz UEDDUOGVJHOCHY-CABZTGNLSA-N -1 0 341.816 3.827 20 0 EHADRM CCC(CC)(CNC(=O)c1nc(C)sc1-c1ccccc1)C(=O)[O-] ZINC001573790229 960745291 /nfs/dbraw/zinc/74/52/91/960745291.db2.gz GMSYCBLQMZHWGE-UHFFFAOYSA-N -1 0 346.452 3.739 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)c1ccc(SC(F)F)cc1 ZINC000236744995 960748545 /nfs/dbraw/zinc/74/85/45/960748545.db2.gz RBTGSMVGNYRIQV-UHFFFAOYSA-N -1 0 331.384 3.574 20 0 EHADRM CC[C@H](CNC(=O)/C(C)=C\c1c(Cl)cccc1Cl)C(=O)[O-] ZINC001573794824 960765031 /nfs/dbraw/zinc/76/50/31/960765031.db2.gz GHRNDQMAPFEZBQ-UJICNMFASA-N -1 0 330.211 3.624 20 0 EHADRM CCC(CC)(CNC(=O)CCCc1ccc(Cl)cc1)C(=O)[O-] ZINC000236832859 960768094 /nfs/dbraw/zinc/76/80/94/960768094.db2.gz VDKJYGUAWDTWLP-UHFFFAOYSA-N -1 0 325.836 3.670 20 0 EHADRM CCC[C@](C)(NC(=O)c1cc(C)n(Cc2ccccc2)c1C)C(=O)[O-] ZINC000236837207 960769310 /nfs/dbraw/zinc/76/93/10/960769310.db2.gz GDBSOTBGVKIHNI-FQEVSTJZSA-N -1 0 342.439 3.526 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)c1sc(-c2ccc(C)cc2C)nc1C ZINC000236842295 960772745 /nfs/dbraw/zinc/77/27/45/960772745.db2.gz YULJZTGVNUZBIG-UHFFFAOYSA-N -1 0 346.452 3.672 20 0 EHADRM Cc1cc(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)c2ccc(F)cc2n1 ZINC001574316561 960794453 /nfs/dbraw/zinc/79/44/53/960794453.db2.gz SEJJEKUUNRPURG-ZDUSSCGKSA-N -1 0 346.402 3.549 20 0 EHADRM CCCc1ccc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000236914895 960798253 /nfs/dbraw/zinc/79/82/53/960798253.db2.gz ZKEJMVFVNWVYOM-KDOFPFPSSA-N -1 0 325.408 3.831 20 0 EHADRM CCC[C@H]1[C@@H](C)CCCN1C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000237049113 960855117 /nfs/dbraw/zinc/85/51/17/960855117.db2.gz OZUUFLGTOOCNSY-GUYCJALGSA-N -1 0 347.455 3.808 20 0 EHADRM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC001573809094 960867826 /nfs/dbraw/zinc/86/78/26/960867826.db2.gz JMTWFZMCMBLHPF-KBPBESRZSA-N -1 0 325.836 3.524 20 0 EHADRM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC001573809097 960868248 /nfs/dbraw/zinc/86/82/48/960868248.db2.gz JMTWFZMCMBLHPF-ZIAGYGMSSA-N -1 0 325.836 3.524 20 0 EHADRM CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cccc(C(=O)[O-])c1 ZINC000237113793 960873599 /nfs/dbraw/zinc/87/35/99/960873599.db2.gz NTNKRAGSZZEHSS-UHFFFAOYSA-N -1 0 337.297 3.676 20 0 EHADRM CCc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)cc1 ZINC000237144471 960878099 /nfs/dbraw/zinc/87/80/99/960878099.db2.gz HEGSMFBJDLVXPW-UHFFFAOYSA-N -1 0 327.380 3.987 20 0 EHADRM CC[C@@H](NC(=O)Nc1cccnc1C(=O)[O-])C(C)(C)c1ccccc1 ZINC001573811480 960905531 /nfs/dbraw/zinc/90/55/31/960905531.db2.gz ZRBXFXYQGTZEQX-OAHLLOKOSA-N -1 0 341.411 3.658 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)N1CCC[C@](CC)(C(=O)[O-])C1 ZINC001573812856 960909687 /nfs/dbraw/zinc/90/96/87/960909687.db2.gz HGNKRXFQSNCPPP-QAPCUYQASA-N -1 0 335.469 3.661 20 0 EHADRM COc1cc(CNC(=O)C[C@H](C)C2CCCCC2)ccc1C(=O)[O-] ZINC000237342667 960915423 /nfs/dbraw/zinc/91/54/23/960915423.db2.gz NVSQQHSZPVEWBL-ZDUSSCGKSA-N -1 0 333.428 3.616 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N[C@H]1CCCc2occc21)C(=O)[O-] ZINC000237382060 960922263 /nfs/dbraw/zinc/92/22/63/960922263.db2.gz AKRIORGXFCCJST-RISCZKNCSA-N -1 0 345.420 3.652 20 0 EHADRM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2csc(C(C)C)n2)cc1 ZINC001319221516 960927104 /nfs/dbraw/zinc/92/71/04/960927104.db2.gz QMCUIHXKFPGAIW-CYBMUJFWSA-N -1 0 332.425 3.521 20 0 EHADRM Cc1cc(NC(=O)c2ccc(OC(F)F)c(F)c2)ccc1C(=O)[O-] ZINC001574341051 960936098 /nfs/dbraw/zinc/93/60/98/960936098.db2.gz GKOFDKWVYBDTKT-UHFFFAOYSA-N -1 0 339.269 3.686 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)c1ccccc1OCc1ccccc1Cl ZINC000237461523 960939026 /nfs/dbraw/zinc/93/90/26/960939026.db2.gz MNQYJNSLCRUSMA-LBPRGKRZSA-N -1 0 347.798 3.512 20 0 EHADRM C[C@H](SCc1ccccc1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000237524321 960952542 /nfs/dbraw/zinc/95/25/42/960952542.db2.gz ZWTUUSBLFZHFTM-NSHDSACASA-N -1 0 333.384 3.784 20 0 EHADRM Cc1ccsc1[C@H]1C[C@@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1 ZINC001319850957 960962110 /nfs/dbraw/zinc/96/21/10/960962110.db2.gz ISKZYAQJBMTRNC-JYJNAYRXSA-N -1 0 343.448 3.801 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)Nc1ccc2c(c1)CCC2)C(=O)[O-] ZINC000237565486 960962941 /nfs/dbraw/zinc/96/29/41/960962941.db2.gz MFKBPUPRNOGLPN-LBPRGKRZSA-N -1 0 341.432 3.993 20 0 EHADRM C[C@@H](c1ccccc1Cl)N(C(=O)c1ccc(C(=O)[O-])cn1)C1CC1 ZINC000237622561 960975864 /nfs/dbraw/zinc/97/58/64/960975864.db2.gz BMMXEVUWRLEACR-NSHDSACASA-N -1 0 344.798 3.799 20 0 EHADRM CC[C@H]1CCCC[C@@H]1C(=O)Nc1sc2c(c1C(=O)[O-])COCC2 ZINC001573829581 961000565 /nfs/dbraw/zinc/00/05/65/961000565.db2.gz BOWPIAISOWYUSR-QWRGUYRKSA-N -1 0 337.441 3.674 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc3cccc(F)c3o2)cc1 ZINC001322656334 961009570 /nfs/dbraw/zinc/00/95/70/961009570.db2.gz IVYSYJCBGZPDJR-HNNXBMFYSA-N -1 0 341.338 3.826 20 0 EHADRM Cc1ccc(C(C)C)c(OCCC(=O)Nc2ccnc(C(=O)[O-])c2)c1 ZINC001574357723 961010594 /nfs/dbraw/zinc/01/05/94/961010594.db2.gz XGTUKTYAYSXTKW-UHFFFAOYSA-N -1 0 342.395 3.619 20 0 EHADRM CC[C@H]1CCCC[C@@H]1OCC(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC001573830230 961011097 /nfs/dbraw/zinc/01/10/97/961011097.db2.gz OFRNSGGQJWDYIS-KSSFIOAISA-N -1 0 345.439 3.649 20 0 EHADRM Cc1c2cccc(C)c2oc1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000237753205 961016318 /nfs/dbraw/zinc/01/63/18/961016318.db2.gz GFUJDPSDPJQBOB-UHFFFAOYSA-N -1 0 337.375 3.720 20 0 EHADRM Cc1cc(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])sc1-c1ccc(F)cc1 ZINC000237776033 961022028 /nfs/dbraw/zinc/02/20/28/961022028.db2.gz TVQWZSXRWOPGEA-KGLIPLIRSA-N -1 0 347.411 3.846 20 0 EHADRM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001574361578 961029364 /nfs/dbraw/zinc/02/93/64/961029364.db2.gz OISDJOGXIPSQRM-RANZSIQMSA-N -1 0 344.455 3.731 20 0 EHADRM O=C([O-])c1ccc(C(=O)NCC2(c3cccc(F)c3)CCCCC2)o1 ZINC000238010810 961074778 /nfs/dbraw/zinc/07/47/78/961074778.db2.gz WIGBGDLZKXYMRY-UHFFFAOYSA-N -1 0 345.370 3.749 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2c2cccc3ccccc32)nc1 ZINC000238013001 961075406 /nfs/dbraw/zinc/07/54/06/961075406.db2.gz JVHOKKNEBOFCQM-LJQANCHMSA-N -1 0 346.386 3.910 20 0 EHADRM O=C([O-])C1CCN(C(=O)C2(c3cccc(Cl)c3)CCCCC2)CC1 ZINC000238020985 961079009 /nfs/dbraw/zinc/07/90/09/961079009.db2.gz NCRPWRQDDOPSJA-UHFFFAOYSA-N -1 0 349.858 3.865 20 0 EHADRM O=C([O-])[C@H]1CCCN1C(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000238080245 961093074 /nfs/dbraw/zinc/09/30/74/961093074.db2.gz JNTNMPIBUMIDAG-LJQANCHMSA-N -1 0 346.386 3.591 20 0 EHADRM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000238082934 961093612 /nfs/dbraw/zinc/09/36/12/961093612.db2.gz YGQCNGQQWQUXGS-MRXNPFEDSA-N -1 0 345.782 3.822 20 0 EHADRM Cc1ccc(OCCC(=O)OCc2ccc(C(=O)[O-])cc2)cc1C ZINC001574378786 961104599 /nfs/dbraw/zinc/10/45/99/961104599.db2.gz ZMAFJGBHMOFJPL-UHFFFAOYSA-N -1 0 328.364 3.514 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)CCc1cccc(Cl)c1)c1cccs1 ZINC000238114911 961105583 /nfs/dbraw/zinc/10/55/83/961105583.db2.gz ZZWIOCWGANHSKA-CYBMUJFWSA-N -1 0 337.828 3.666 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1ccc(Cl)c2cccnc12 ZINC000238127749 961116489 /nfs/dbraw/zinc/11/64/89/961116489.db2.gz UGCJGIPDSPAAKZ-UHFFFAOYSA-N -1 0 334.803 3.653 20 0 EHADRM O=C([O-])CCCCCCNC(=O)c1csc(-c2ccccc2)n1 ZINC000238135513 961122669 /nfs/dbraw/zinc/12/26/69/961122669.db2.gz MYGHQQWKGHYTST-UHFFFAOYSA-N -1 0 332.425 3.575 20 0 EHADRM Cc1cccc([C@H](NC(=O)C[C@@H](C)c2ccc(F)cc2F)C(=O)[O-])c1 ZINC001574387101 961136559 /nfs/dbraw/zinc/13/65/59/961136559.db2.gz DMGVGTVLPQXXJI-XIKOKIGWSA-N -1 0 347.361 3.709 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1 ZINC000238187024 961152291 /nfs/dbraw/zinc/15/22/91/961152291.db2.gz CVHMPKHPMMMWQH-UHFFFAOYSA-N -1 0 341.754 3.681 20 0 EHADRM O=C([O-])c1cccc(C(=O)N(Cc2ccccc2F)C2CCC2)c1 ZINC000238201631 961157309 /nfs/dbraw/zinc/15/73/09/961157309.db2.gz JFPDIYYTTCOTEB-UHFFFAOYSA-N -1 0 327.355 3.719 20 0 EHADRM O=C([O-])c1cccc(NC(=O)CCc2ncc(-c3ccccc3)o2)c1 ZINC000238221865 961165813 /nfs/dbraw/zinc/16/58/13/961165813.db2.gz JILWOWHLOZKHGP-UHFFFAOYSA-N -1 0 336.347 3.611 20 0 EHADRM Cc1cccc([C@@H](NC(=O)CSc2cc(C)ccc2C)C(=O)[O-])c1 ZINC001574390107 961166419 /nfs/dbraw/zinc/16/64/19/961166419.db2.gz RBCWNKQDPADDSH-GOSISDBHSA-N -1 0 343.448 3.646 20 0 EHADRM CC(C)(C)c1ccc(CSCC(=O)N(CC(=O)[O-])C2CCC2)cc1 ZINC001588741256 961169663 /nfs/dbraw/zinc/16/96/63/961169663.db2.gz XJJBMJPONHQLOH-UHFFFAOYSA-N -1 0 349.496 3.683 20 0 EHADRM Cc1cccc([C@H](NC(=O)Nc2cncc(C(=O)[O-])c2)C(C)C)c1 ZINC001574391163 961180850 /nfs/dbraw/zinc/18/08/50/961180850.db2.gz JCDKFONRZWLVLB-MRXNPFEDSA-N -1 0 327.384 3.607 20 0 EHADRM Cc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2Cc3ccc(Cl)cc32)cc1 ZINC001329286892 961257985 /nfs/dbraw/zinc/25/79/85/961257985.db2.gz FQHDADHCMBUDKC-SJORKVTESA-N -1 0 343.810 3.620 20 0 EHADRM Cc1ccccc1CO[C@H](C)C(=O)Nc1c(C)cccc1C(=O)[O-] ZINC001574404689 961260647 /nfs/dbraw/zinc/26/06/47/961260647.db2.gz XPJFHVCHMJGBNS-CQSZACIVSA-N -1 0 327.380 3.545 20 0 EHADRM C[C@@H](CC(=O)N(C)C(C)(C)CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001329496262 961274047 /nfs/dbraw/zinc/27/40/47/961274047.db2.gz SCGBDXFTFWVROU-NSHDSACASA-N -1 0 345.361 3.911 20 0 EHADRM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC(C(=O)c2cccs2)CC1 ZINC001329676784 961295119 /nfs/dbraw/zinc/29/51/19/961295119.db2.gz SAIIXBLSLIQSOK-NSHDSACASA-N -1 0 333.409 3.695 20 0 EHADRM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC(C(=O)c2cccs2)CC1 ZINC001329676783 961296316 /nfs/dbraw/zinc/29/63/16/961296316.db2.gz SAIIXBLSLIQSOK-LLVKDONJSA-N -1 0 333.409 3.695 20 0 EHADRM CC(C)(Cc1ccc(Cl)cc1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001588784974 961339282 /nfs/dbraw/zinc/33/92/82/961339282.db2.gz AWWYZEYAHLSMLJ-UHFFFAOYSA-N -1 0 337.847 3.668 20 0 EHADRM Cc1nc2cc(NC(=O)NCc3ccccc3C(=O)[O-])ccc2s1 ZINC001574423627 961354094 /nfs/dbraw/zinc/35/40/94/961354094.db2.gz DNBXAZCPNMEPLO-UHFFFAOYSA-N -1 0 341.392 3.625 20 0 EHADRM Cc1nc2cccc(Cl)c2cc1C(=O)Nc1ccc(C(=O)[O-])cn1 ZINC001574426783 961367322 /nfs/dbraw/zinc/36/73/22/961367322.db2.gz KWXALWFDWZQYDH-UHFFFAOYSA-N -1 0 341.754 3.542 20 0 EHADRM CC(C)=CCC[C@H](C)NC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001588797409 961404385 /nfs/dbraw/zinc/40/43/85/961404385.db2.gz MSXDQVPUUIYGCJ-RYQLBKOJSA-N -1 0 344.455 3.631 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC000262083209 961443505 /nfs/dbraw/zinc/44/35/05/961443505.db2.gz BRNYZXHPBJGZHW-CRAIPNDOSA-N -1 0 337.419 3.640 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H]1C(=O)N[C@@H](CCc1ccccc1)c1ccccc1 ZINC000262129530 961484498 /nfs/dbraw/zinc/48/44/98/961484498.db2.gz NWAKCRRCQJVBGZ-OTWHNJEPSA-N -1 0 337.419 3.588 20 0 EHADRM CC(C)[C@@H](C(=O)[O-])C(=O)O[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC001588812188 961523694 /nfs/dbraw/zinc/52/36/94/961523694.db2.gz CKEPVSDNWLZPRZ-CABZTGNLSA-N -1 0 334.290 3.546 20 0 EHADRM CC[C@H](Cc1ccccc1)N(CC)C(=O)Cc1ccccc1C(=O)[O-] ZINC000262212252 961558694 /nfs/dbraw/zinc/55/86/94/961558694.db2.gz UICRMICFHBKGOB-GOSISDBHSA-N -1 0 339.435 3.797 20 0 EHADRM CCCCOc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1 ZINC000262227281 961572828 /nfs/dbraw/zinc/57/28/28/961572828.db2.gz NJMYLPDOKVCGEW-UHFFFAOYSA-N -1 0 343.379 3.581 20 0 EHADRM CC(C)[C@@H](CNC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC001588821014 961615995 /nfs/dbraw/zinc/61/59/95/961615995.db2.gz MGEVOABVOQJWKW-HGPCXVNDSA-N -1 0 327.380 3.547 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)[C@H]1CCCc2ccccc21)c1ccc(F)cc1 ZINC000262320025 961640708 /nfs/dbraw/zinc/64/07/08/961640708.db2.gz QRKNQKFPANSCDA-ZWKOTPCHSA-N -1 0 341.382 3.578 20 0 EHADRM CC(C)[C@H](CNC(=O)N[C@@H](c1ccccc1)C1CCCC1)C(=O)[O-] ZINC001588823669 961652473 /nfs/dbraw/zinc/65/24/73/961652473.db2.gz PDBVKPINVGMXHZ-IRXDYDNUSA-N -1 0 332.444 3.574 20 0 EHADRM CC(C)[C@H](CNC(=O)NCC(C)(C)CCCc1ccccc1)C(=O)[O-] ZINC001588824740 961658756 /nfs/dbraw/zinc/65/87/56/961658756.db2.gz BRWWICUOCYQGNJ-KRWDZBQOSA-N -1 0 348.487 3.692 20 0 EHADRM CC(C)[C@H](CNC(=O)NC[C@H]1CCCC[C@H]1c1ccccc1)C(=O)[O-] ZINC001588824975 961661335 /nfs/dbraw/zinc/66/13/35/961661335.db2.gz IYIQIQXSEGRYDN-SQNIBIBYSA-N -1 0 346.471 3.616 20 0 EHADRM CCc1ccc2occ(C(=O)N[C@@H](C(=O)[O-])c3ccc(F)cc3)c2c1 ZINC001573960666 961684226 /nfs/dbraw/zinc/68/42/26/961684226.db2.gz KQRIGBINWSIDQA-QGZVFWFLSA-N -1 0 341.338 3.690 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)CCCc2ccc(F)c(F)c2)c1 ZINC000262384772 961687567 /nfs/dbraw/zinc/68/75/67/961687567.db2.gz LBDJNHUXPUBWEE-UHFFFAOYSA-N -1 0 347.361 3.943 20 0 EHADRM CC(C)[C@@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccccc1F ZINC001588833474 961733999 /nfs/dbraw/zinc/73/39/99/961733999.db2.gz MQLHCSKUSKAULJ-SECOEOQKSA-N -1 0 331.343 3.644 20 0 EHADRM CO[C@@H]1CCC[C@@H](CC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC001333945796 961734210 /nfs/dbraw/zinc/73/42/10/961734210.db2.gz RDXMRFSHCHXICR-ZYHUDNBSSA-N -1 0 325.792 3.572 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)NC(=O)Nc1ccccc1CC(=O)[O-] ZINC001588834272 961747953 /nfs/dbraw/zinc/74/79/53/961747953.db2.gz VLCUCWUFIZJVGP-SFHVURJKSA-N -1 0 340.423 3.703 20 0 EHADRM COc1ccc2cc(C(=O)N(C)[C@H](C(=O)[O-])c3ccccc3)ccc2c1 ZINC001334156983 961761055 /nfs/dbraw/zinc/76/10/55/961761055.db2.gz PWUVEXSZXNIYJC-IBGZPJMESA-N -1 0 349.386 3.746 20 0 EHADRM CC(C)[C@@H](SCc1ccccc1)C(=O)Nc1ccnc(C(=O)[O-])c1 ZINC001588836205 961771361 /nfs/dbraw/zinc/77/13/61/961771361.db2.gz SQTLTGGRLCHWMT-MRXNPFEDSA-N -1 0 344.436 3.676 20 0 EHADRM O=C([O-])C1CCC(NC(=O)CCCc2ccc3ccccc3c2)CC1 ZINC000262671279 961800913 /nfs/dbraw/zinc/80/09/13/961800913.db2.gz RBCJPJBPWJJTRI-UHFFFAOYSA-N -1 0 339.435 3.922 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262688925 961809501 /nfs/dbraw/zinc/80/95/01/961809501.db2.gz DKKKTPIJQURIMM-AAVRWANBSA-N -1 0 333.403 3.551 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)N[C@@H]2CCCC[C@@H]2Cc2ccccc2)CC1 ZINC000262724675 961828921 /nfs/dbraw/zinc/82/89/21/961828921.db2.gz RULFFACSNWFVJM-NCXUSEDFSA-N -1 0 343.467 3.795 20 0 EHADRM CC(C)CC(=O)Nc1ccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC000262731545 961834682 /nfs/dbraw/zinc/83/46/82/961834682.db2.gz UOTVXFDTOZIJBU-HDJSIYSDSA-N -1 0 346.427 3.501 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](NC(=O)CCc2ccc3[nH]ccc3c2)c2ccccc21 ZINC001574524966 961873559 /nfs/dbraw/zinc/87/35/59/961873559.db2.gz AIGBKTGUOSOTBU-IEBWSBKVSA-N -1 0 348.402 3.530 20 0 EHADRM O=C([O-])CC1(NC(=O)CCc2ccc(-c3ccccc3)[nH]2)CCCC1 ZINC000262803772 961875571 /nfs/dbraw/zinc/87/55/71/961875571.db2.gz CVWUAFZPUOFKFV-UHFFFAOYSA-N -1 0 340.423 3.518 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)CCc1ccc(C(F)F)cc1 ZINC001574525837 961879568 /nfs/dbraw/zinc/87/95/68/961879568.db2.gz PNUDLVHWJIIKGP-UHFFFAOYSA-N -1 0 333.334 3.571 20 0 EHADRM CC(C)(C)c1ccc(CCC(=O)N2CCC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000262812199 961879910 /nfs/dbraw/zinc/87/99/10/961879910.db2.gz AFCOZKDSUDAOAU-HXUWFJFHSA-N -1 0 331.456 3.630 20 0 EHADRM Cc1ccc(Cl)cc1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000262828047 961894097 /nfs/dbraw/zinc/89/40/97/961894097.db2.gz FOZGYBDGLZYALO-DLBZAZTESA-N -1 0 343.810 3.589 20 0 EHADRM Cc1ccc(SC2CCCC2)c(C(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000262851954 961917780 /nfs/dbraw/zinc/91/77/80/961917780.db2.gz BUMDROPTOTYVOB-CYBMUJFWSA-N -1 0 333.453 3.576 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CCC[C@@H](F)C1)c1cccc(Cl)c1 ZINC001335376020 961919169 /nfs/dbraw/zinc/91/91/69/961919169.db2.gz SSUYYROUKXKFBR-BNOWGMLFSA-N -1 0 327.783 3.500 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)C1 ZINC000262865675 961934895 /nfs/dbraw/zinc/93/48/95/961934895.db2.gz CGUGTDVJKZXQDP-LZWOXQAQSA-N -1 0 335.831 3.798 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(F)cc1 ZINC001574549268 961964212 /nfs/dbraw/zinc/96/42/12/961964212.db2.gz YZOFQNBYHCXXCC-OAHLLOKOSA-N -1 0 346.745 3.516 20 0 EHADRM O=C([O-])C1(NC(=O)c2coc(-c3ccccc3Cl)n2)CCCCC1 ZINC001574549758 961972888 /nfs/dbraw/zinc/97/28/88/961972888.db2.gz SFTGOXZVCWZQQV-UHFFFAOYSA-N -1 0 348.786 3.512 20 0 EHADRM CCC[C@H](NC(=O)c1cccc(-c2ccccc2OCC)c1)C(=O)[O-] ZINC000262916204 961997246 /nfs/dbraw/zinc/99/72/46/961997246.db2.gz IDAUAPJDQRLIFE-KRWDZBQOSA-N -1 0 341.407 3.735 20 0 EHADRM CC[C@](CNC(=O)C[C@@H](C)c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000262915491 961997627 /nfs/dbraw/zinc/99/76/27/961997627.db2.gz FBWKRJMJZBIONA-IIBYNOLFSA-N -1 0 339.435 3.729 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@@](C)(C(=O)[O-])C1)Cc1ccc(Cl)cc1 ZINC000262920896 962002536 /nfs/dbraw/zinc/00/25/36/962002536.db2.gz FQANHKARYWJIHI-SCLBCKFNSA-N -1 0 337.847 3.622 20 0 EHADRM O=C([O-])CC1(CC(=O)N2CCc3ccc(Cl)cc3C2)CCCC1 ZINC001339473736 962027124 /nfs/dbraw/zinc/02/71/24/962027124.db2.gz WHDYLJYXOSJMOV-UHFFFAOYSA-N -1 0 335.831 3.650 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)CC1CC(c2ccccc2)C1 ZINC000262942718 962027454 /nfs/dbraw/zinc/02/74/54/962027454.db2.gz BOSAABRCLGCXDO-RVAKQSJFSA-N -1 0 349.430 3.781 20 0 EHADRM Cc1cccc(OCCCCC(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])c1 ZINC000262944200 962029443 /nfs/dbraw/zinc/02/94/43/962029443.db2.gz LUSBVQZPPKJNCF-FXAWDEMLSA-N -1 0 347.455 3.694 20 0 EHADRM COc1ccc2sc(C(=O)N3CC[C@H](C)C[C@@H]3C(=O)[O-])c(C)c2c1 ZINC000263006859 962104433 /nfs/dbraw/zinc/10/44/33/962104433.db2.gz MTYFSBKBBVXVMV-IINYFYTJSA-N -1 0 347.436 3.544 20 0 EHADRM CC(C)[C@H](CNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)Cc1ccccc1 ZINC000263008621 962107846 /nfs/dbraw/zinc/10/78/46/962107846.db2.gz PLGJOEOKLWTARW-KSZLIROESA-N -1 0 331.456 3.509 20 0 EHADRM Cc1cc2ccccc2c(NC(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC000263009580 962109585 /nfs/dbraw/zinc/10/95/85/962109585.db2.gz HIACXGWGTSLYKW-UHFFFAOYSA-N -1 0 326.396 3.913 20 0 EHADRM CC(C)[C@H](C(=O)NCCC(C)(C)C(=O)[O-])c1cccc(Cl)c1 ZINC000263030091 962143163 /nfs/dbraw/zinc/14/31/63/962143163.db2.gz OMTUDSVIATZONX-AWEZNQCLSA-N -1 0 325.836 3.697 20 0 EHADRM CC(C)(CCNC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)[O-] ZINC000263053885 962186118 /nfs/dbraw/zinc/18/61/18/962186118.db2.gz QDUWUHMRKXZUSS-UHFFFAOYSA-N -1 0 345.420 3.538 20 0 EHADRM C[C@H](NC(=O)Cc1ccc(C2CCC2)cc1)c1ncc(C(=O)[O-])s1 ZINC001344537134 962191800 /nfs/dbraw/zinc/19/18/00/962191800.db2.gz XWKFGBBVDAHLMP-NSHDSACASA-N -1 0 344.436 3.529 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CC2(CCCC2)[C@@H]1C(C)C)CC(=O)[O-] ZINC001588890411 962200850 /nfs/dbraw/zinc/20/08/50/962200850.db2.gz FUSHYFJYSIHKJT-RDJZCZTQSA-N -1 0 338.492 3.734 20 0 EHADRM O=C([O-])[C@@H](C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1)C1CCCC1 ZINC001574615494 962213084 /nfs/dbraw/zinc/21/30/84/962213084.db2.gz BLBNHOLPPQJECI-GDBMZVCRSA-N -1 0 335.831 3.547 20 0 EHADRM O=C([O-])[C@@H](C(=O)N1CC2(CCCC2)c2ccccc21)C1CCCC1 ZINC001574617034 962230987 /nfs/dbraw/zinc/23/09/87/962230987.db2.gz YKWSGANIEGHTFW-QGZVFWFLSA-N -1 0 327.424 3.736 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)C2(c3ccccc3)CCCC2)s1 ZINC000263092651 962242016 /nfs/dbraw/zinc/24/20/16/962242016.db2.gz CEMLLSLBIUWIIV-UHFFFAOYSA-N -1 0 329.421 3.575 20 0 EHADRM C[C@H]1CN(C(=O)C2CCC(c3ccccc3)CC2)CC[C@H]1C(=O)[O-] ZINC000263100048 962250381 /nfs/dbraw/zinc/25/03/81/962250381.db2.gz VWTFKXFOMFDWBZ-IWCVFHTOSA-N -1 0 329.440 3.530 20 0 EHADRM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000263102749 962254011 /nfs/dbraw/zinc/25/40/11/962254011.db2.gz UFWAEBMWGYGKJL-NSHDSACASA-N -1 0 345.361 3.501 20 0 EHADRM CCSc1cc(Cl)ccc1C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000263127030 962280544 /nfs/dbraw/zinc/28/05/44/962280544.db2.gz YPXVRKFWSXPMRF-INIZCTEOSA-N -1 0 341.860 3.779 20 0 EHADRM COCc1cc(NC(=O)C[C@H](C)c2ccc(F)cc2)cc(C(=O)[O-])c1 ZINC000263140946 962293477 /nfs/dbraw/zinc/29/34/77/962293477.db2.gz VDYXTNRRQCHXAR-LBPRGKRZSA-N -1 0 345.370 3.803 20 0 EHADRM O=C([O-])C1(CCSc2nnc(Cc3ccccc3F)o2)CCC1 ZINC001574638461 962326032 /nfs/dbraw/zinc/32/60/32/962326032.db2.gz MNKAZMWCDATJRE-UHFFFAOYSA-N -1 0 336.388 3.537 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)NCc1ccc(C(=O)[O-])s1 ZINC000263180331 962334980 /nfs/dbraw/zinc/33/49/80/962334980.db2.gz KFIIECJYJSNXLZ-SNVBAGLBSA-N -1 0 337.828 3.595 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1F ZINC000263224242 962374977 /nfs/dbraw/zinc/37/49/77/962374977.db2.gz PRVIIYZSDDMEBP-WDEREUQCSA-N -1 0 347.308 3.760 20 0 EHADRM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)c(C)n1Cc1ccco1 ZINC001347090506 962381331 /nfs/dbraw/zinc/38/13/31/962381331.db2.gz IHLIGBXNCQCWLP-UHFFFAOYSA-N -1 0 338.363 3.697 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)C[C@@H]2CCc3ccccc3C2)cc1F ZINC000263246559 962391639 /nfs/dbraw/zinc/39/16/39/962391639.db2.gz SHQWXVXTXZVQFG-CYBMUJFWSA-N -1 0 341.382 3.587 20 0 EHADRM C[C@@H](NC(=O)CCCCC(=O)[O-])c1cc(F)c(Cl)cc1Cl ZINC000263254622 962397189 /nfs/dbraw/zinc/39/71/89/962397189.db2.gz FJYLZNFHAXZPKG-MRVPVSSYSA-N -1 0 336.190 3.955 20 0 EHADRM CC(C)COc1ccc(NC(=O)CCCCC(=O)[O-])cc1Cl ZINC000263284466 962422226 /nfs/dbraw/zinc/42/22/26/962422226.db2.gz KIZRCWZVFFCSLX-UHFFFAOYSA-N -1 0 327.808 3.958 20 0 EHADRM Cn1c(C(=O)[O-])ccc1[C@@H]1CCCCN1C(=O)C1CCC=CCC1 ZINC001347624762 962426519 /nfs/dbraw/zinc/42/65/19/962426519.db2.gz VHUOHADTNWZADL-INIZCTEOSA-N -1 0 330.428 3.523 20 0 EHADRM C[C@]1(NC(=O)CC2CC(c3ccccc3)C2)CCCC[C@H]1C(=O)[O-] ZINC000263299599 962441058 /nfs/dbraw/zinc/44/10/58/962441058.db2.gz CYRNFESFQKRZHD-DLSIOHMBSA-N -1 0 329.440 3.720 20 0 EHADRM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)c1ccc(C2CCC2)cc1 ZINC000263302023 962441990 /nfs/dbraw/zinc/44/19/90/962441990.db2.gz UVCNZSHATGNZMV-HNNXBMFYSA-N -1 0 347.455 3.544 20 0 EHADRM O=C([O-])c1ccc(CNCc2ccc(Cl)cc2F)nc1C1CC1 ZINC001348550567 962451659 /nfs/dbraw/zinc/45/16/59/962451659.db2.gz GUBMVJMDFTZNMY-UHFFFAOYSA-N -1 0 334.778 3.740 20 0 EHADRM COC1CCC(CC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)CC1 ZINC001574119391 962480644 /nfs/dbraw/zinc/48/06/44/962480644.db2.gz FESCNJWWGAGDRA-UHFFFAOYSA-N -1 0 343.782 3.711 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cccc(CCC(F)(F)F)c2)C1 ZINC000263355199 962509123 /nfs/dbraw/zinc/50/91/23/962509123.db2.gz WTMXVCLCIWPUKJ-NWDGAFQWSA-N -1 0 329.318 3.621 20 0 EHADRM C[C@@H](NC(=O)NC1CCC(C(=O)[O-])CC1)c1cccc(C2CC2)c1 ZINC000263356124 962511746 /nfs/dbraw/zinc/51/17/46/962511746.db2.gz JBRZJTLFQHGBCS-RFSCMCKOSA-N -1 0 330.428 3.568 20 0 EHADRM O=C([O-])CC1(C(=O)N[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)CCC1 ZINC001574667588 962525511 /nfs/dbraw/zinc/52/55/11/962525511.db2.gz OOAGELFJTHSTHS-HIFRSBDPSA-N -1 0 335.831 3.737 20 0 EHADRM O=C([O-])CC1(C(=O)N[C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)CCC1 ZINC001574667589 962525879 /nfs/dbraw/zinc/52/58/79/962525879.db2.gz OOAGELFJTHSTHS-UKRRQHHQSA-N -1 0 335.831 3.737 20 0 EHADRM CCCc1c(NC2CCC(C(=O)[O-])CC2)cnn1-c1cc(C)ccn1 ZINC000263376807 962535517 /nfs/dbraw/zinc/53/55/17/962535517.db2.gz ATDDXVWJYUOQLC-UHFFFAOYSA-N -1 0 342.443 3.584 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)NCC(C)(C)c1cccc(Cl)c1 ZINC000263384309 962542502 /nfs/dbraw/zinc/54/25/02/962542502.db2.gz CJJFSFRDYOCVCL-UHFFFAOYSA-N -1 0 349.814 3.576 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@@]1(C)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000263385070 962543907 /nfs/dbraw/zinc/54/39/07/962543907.db2.gz BWEUOYPKBRETCD-BZNIZROVSA-N -1 0 343.345 3.665 20 0 EHADRM CCCN(C(=O)c1cccc(C(=O)[O-])c1)[C@@H]1CCCc2cccnc21 ZINC000263400369 962562075 /nfs/dbraw/zinc/56/20/75/962562075.db2.gz GJBCNDOHHQSNTQ-QGZVFWFLSA-N -1 0 338.407 3.710 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N(Cc1cccc(Cl)c1)C(C)C ZINC000263428375 962603650 /nfs/dbraw/zinc/60/36/50/962603650.db2.gz MSZTXEPKBJQYJN-UHFFFAOYSA-N -1 0 349.814 3.919 20 0 EHADRM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCC[C@@]1(C)C(=O)[O-] ZINC000263432752 962608987 /nfs/dbraw/zinc/60/89/87/962608987.db2.gz KZVZZWNPHCLLJK-QFYYESIMSA-N -1 0 344.238 3.638 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])o1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC001351728690 962621231 /nfs/dbraw/zinc/62/12/31/962621231.db2.gz IRLMGUIETIZOKO-GJZGRUSLSA-N -1 0 327.380 3.776 20 0 EHADRM CC(C)c1ccc(-c2nc(C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)cs2)cc1 ZINC001588962403 962626249 /nfs/dbraw/zinc/62/62/49/962626249.db2.gz CGRDEIOFSQURKC-HDJSIYSDSA-N -1 0 344.436 3.527 20 0 EHADRM C[C@@H](NC(=O)N1CCC[C@H](CCC(=O)[O-])C1)C(C)(C)c1ccccc1 ZINC001352986935 962644461 /nfs/dbraw/zinc/64/44/61/962644461.db2.gz DDTKQYWTNFOPQR-HZPDHXFCSA-N -1 0 346.471 3.639 20 0 EHADRM Cc1cc(C)n(-c2ccc(NC3CCC(C(=O)[O-])CC3)cc2F)n1 ZINC000263458391 962645560 /nfs/dbraw/zinc/64/55/60/962645560.db2.gz IAHIHAZSOVFORY-UHFFFAOYSA-N -1 0 331.391 3.684 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)[C@@H]1CCc2c1cccc2Cl ZINC001574692459 962652506 /nfs/dbraw/zinc/65/25/06/962652506.db2.gz RMCCBAWJSAXRGL-IUODEOHRSA-N -1 0 335.831 3.616 20 0 EHADRM CC1(C)CCCC[C@H]1CC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000263482923 962668456 /nfs/dbraw/zinc/66/84/56/962668456.db2.gz BAGLJIMULSULPW-DOTOQJQBSA-N -1 0 329.440 3.804 20 0 EHADRM Cc1cccc(C)c1NC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263489600 962673147 /nfs/dbraw/zinc/67/31/47/962673147.db2.gz OEXOLRTYORRGSS-KRWDZBQOSA-N -1 0 340.423 3.901 20 0 EHADRM CC(C)c1cccc2c1N(C(=O)COCC(=O)[O-])C(C)(C)C[C@H]2C ZINC001588973379 962674197 /nfs/dbraw/zinc/67/41/97/962674197.db2.gz SDFCNWDGLXSWHW-CYBMUJFWSA-N -1 0 333.428 3.530 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)CC(C)(C)C(F)(F)F)cc1)C(=O)[O-] ZINC000263518992 962700597 /nfs/dbraw/zinc/70/05/97/962700597.db2.gz GFZUJCZILISCIB-JTQLQIEISA-N -1 0 331.334 3.867 20 0 EHADRM C[C@@H](CCC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000263520670 962701575 /nfs/dbraw/zinc/70/15/75/962701575.db2.gz HCMJSXDZSCEFJQ-HRAATJIYSA-N -1 0 339.435 3.729 20 0 EHADRM O=C([O-])CCc1cccc(NCc2nc(Br)cs2)c1 ZINC001574709932 962702103 /nfs/dbraw/zinc/70/21/03/962702103.db2.gz JBKWFOPBSFXORA-UHFFFAOYSA-N -1 0 341.230 3.535 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)cc1 ZINC000263528810 962709825 /nfs/dbraw/zinc/70/98/25/962709825.db2.gz LJYZCNDSSVLSPY-DOTOQJQBSA-N -1 0 327.355 3.590 20 0 EHADRM COc1ccc([C@H](C)CC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc1 ZINC001574201634 962886941 /nfs/dbraw/zinc/88/69/41/962886941.db2.gz BIQSCIMHMPFJLR-CJNGLKHVSA-N -1 0 335.444 3.585 20 0 EHADRM CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCCCC(=O)[O-] ZINC001526757518 962899087 /nfs/dbraw/zinc/89/90/87/962899087.db2.gz AAOZOWBLWGHFRG-UHFFFAOYSA-N -1 0 331.334 3.699 20 0 EHADRM O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)c1ccccc1CCC(F)(F)F ZINC001526758570 962903047 /nfs/dbraw/zinc/90/30/47/962903047.db2.gz QWLUCTVUBDFKBA-GXTWGEPZSA-N -1 0 343.345 3.555 20 0 EHADRM C[C@@H](c1ccc(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])cc1)C(F)(F)F ZINC001526758979 962905977 /nfs/dbraw/zinc/90/59/77/962905977.db2.gz ZBTBIFYEQSFHDO-LEWSCRJBSA-N -1 0 343.345 3.726 20 0 EHADRM COc1ccc([C@H](C)OC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1C ZINC001574226159 962975492 /nfs/dbraw/zinc/97/54/92/962975492.db2.gz ORVDIYQSBZGAPP-PWWFUAJNSA-N -1 0 330.336 3.612 20 0 EHADRM O=C([O-])CCCC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000302796124 963103290 /nfs/dbraw/zinc/10/32/90/963103290.db2.gz ZEDCRGHOJQTSBE-UHFFFAOYSA-N -1 0 325.408 3.513 20 0 EHADRM CC(C)(CNC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)C1=CCCC1 ZINC000308759840 963300620 /nfs/dbraw/zinc/30/06/20/963300620.db2.gz FOQVEUCRANDAPT-HNNXBMFYSA-N -1 0 336.476 3.655 20 0 EHADRM Nc1cc(Br)c(S[C@@H](C(=O)[O-])C2CC2)cc1Cl ZINC000312762297 963591908 /nfs/dbraw/zinc/59/19/08/963591908.db2.gz GBMHZVYFILZQIF-SNVBAGLBSA-N -1 0 336.638 3.640 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)CSc1ccc(Cl)cc1 ZINC000314211111 963725882 /nfs/dbraw/zinc/72/58/82/963725882.db2.gz BOWAEWZCQPQBJC-UHFFFAOYSA-N -1 0 339.775 3.908 20 0 EHADRM O=C([O-])[C@H]1CCCCCN1C(=O)CCSc1ccc(Cl)cc1 ZINC000315317749 963880538 /nfs/dbraw/zinc/88/05/38/963880538.db2.gz AOSMQTARDARXHG-CQSZACIVSA-N -1 0 341.860 3.678 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H]1NC(=O)c1sc2cc(F)ccc2c1Cl ZINC000316035311 963968880 /nfs/dbraw/zinc/96/88/80/963968880.db2.gz CYDYQZAFXJCUAK-PSASIEDQSA-N -1 0 341.791 3.677 20 0 EHADRM CC[C@@H](Nc1ncnc2scc(-c3ccc(OC)cc3)c21)C(=O)[O-] ZINC000082584443 967566835 /nfs/dbraw/zinc/56/68/35/967566835.db2.gz SSTNAKFZZSJJKU-CYBMUJFWSA-N -1 0 343.408 3.642 20 0 EHADRM CCSc1ccc(Cl)cc1C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000236931030 967780747 /nfs/dbraw/zinc/78/07/47/967780747.db2.gz RXWSIJQUOKGPQL-GFCCVEGCSA-N -1 0 329.849 3.681 20 0 EHADRM CC(C)C[C@@H](NC(=O)CCCCc1nc2ccccc2s1)C(=O)[O-] ZINC000236763525 967780836 /nfs/dbraw/zinc/78/08/36/967780836.db2.gz OVLMDCCIKGMUJH-CQSZACIVSA-N -1 0 348.468 3.625 20 0 EHADRM C[C@H](CC(=O)[O-])NC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000237641241 967784386 /nfs/dbraw/zinc/78/43/86/967784386.db2.gz LAEDUNZTSXDKEX-CYBMUJFWSA-N -1 0 329.421 3.572 20 0 EHADRM O=C([O-])CCNC(=O)/C=C/c1ccc(-c2ccccc2Cl)s1 ZINC000238180339 967787513 /nfs/dbraw/zinc/78/75/13/967787513.db2.gz WDUSJYAZKJVUHH-SOFGYWHQSA-N -1 0 335.812 3.673 20 0 EHADRM CCCCOc1cccc(NC(=O)c2cccc(OCC(=O)[O-])c2)c1 ZINC000262147683 967810508 /nfs/dbraw/zinc/81/05/08/967810508.db2.gz OERROUXBBFKSAH-UHFFFAOYSA-N -1 0 343.379 3.581 20 0 EHADRM C[C@H](CC(=O)N([C@@H](C)C(=O)[O-])C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000262679521 967824934 /nfs/dbraw/zinc/82/49/34/967824934.db2.gz ZJBIATYILNFMFD-MNOVXSKESA-N -1 0 343.345 3.663 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)c1cccc(Oc2ccccc2)c1)C1CC1 ZINC000262633921 967825065 /nfs/dbraw/zinc/82/50/65/967825065.db2.gz OXSYSQMKOZIQPE-ZDUSSCGKSA-N -1 0 325.364 3.557 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC000262890173 967831258 /nfs/dbraw/zinc/83/12/58/967831258.db2.gz ABONBAHBINMDJK-QZTJIDSGSA-N -1 0 338.407 3.520 20 0 EHADRM C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)CCCCC(=O)[O-] ZINC000263239364 967865250 /nfs/dbraw/zinc/86/52/50/967865250.db2.gz CAXQIAWAMSYRAI-SNVBAGLBSA-N -1 0 332.227 3.686 20 0 EHADRM C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000314463508 967967065 /nfs/dbraw/zinc/96/70/65/967967065.db2.gz LZHVHUWJKFSHEV-DGCLKSJQSA-N -1 0 341.860 3.676 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000320111188 968003813 /nfs/dbraw/zinc/00/38/13/968003813.db2.gz ZUFBRMXAQYCZQO-UHFFFAOYSA-N -1 0 334.715 3.507 20 0 EHADRM CC(C)CCO[C@H](C)C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000364839539 968057386 /nfs/dbraw/zinc/05/73/86/968057386.db2.gz CBTYSQMLPHEBDQ-OAHLLOKOSA-N -1 0 347.455 3.542 20 0 EHADRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1ccc(Cl)cc1Cl ZINC000397066243 968243198 /nfs/dbraw/zinc/24/31/98/968243198.db2.gz IKDVOXMKZTXUFI-DTWKUNHWSA-N -1 0 331.199 3.710 20 0 EHADRM CC(C)C[C@H](CNC(=O)N1CC[C@H](C)C[C@H]1c1ccco1)C(=O)[O-] ZINC000424404293 968363621 /nfs/dbraw/zinc/36/36/21/968363621.db2.gz CBHQLAKOAAQNIP-ZNMIVQPWSA-N -1 0 336.432 3.509 20 0 EHADRM CC(C)(C)c1ccc(CCC(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000532875732 968400865 /nfs/dbraw/zinc/40/08/65/968400865.db2.gz HJKBSURIRRBMOY-MRXNPFEDSA-N -1 0 331.456 3.630 20 0 EHADRM Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000532874996 968401126 /nfs/dbraw/zinc/40/11/26/968401126.db2.gz AAKUDEVOJBHVCV-JKSUJKDBSA-N -1 0 347.455 3.599 20 0 EHADRM Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)C1(C(=O)[O-])CCC1 ZINC000564087913 968418903 /nfs/dbraw/zinc/41/89/03/968418903.db2.gz IMWSIVNNQLGTCP-GFCCVEGCSA-N -1 0 344.436 3.551 20 0 EHADRM CC(C)C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000571759126 968448269 /nfs/dbraw/zinc/44/82/69/968448269.db2.gz BCNTZJWRBHHBNF-PVAVHDDUSA-N -1 0 332.444 3.526 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)Nc2ccc(F)cc2C(F)(F)F)CC1 ZINC000647695539 968577353 /nfs/dbraw/zinc/57/73/53/968577353.db2.gz JYMZBRFAMYDVDB-UHFFFAOYSA-N -1 0 348.296 3.563 20 0 EHADRM CCC(CC)(C(=O)[O-])C(=O)N(C)Cc1cccc(C(F)(F)F)c1 ZINC000653299772 968643356 /nfs/dbraw/zinc/64/33/56/968643356.db2.gz DCBRMLGVQIQNEO-UHFFFAOYSA-N -1 0 331.334 3.555 20 0 EHADRM CC[C@@H](NCc1cc(=O)[nH]c(-c2ccccc2)n1)c1c(C)noc1C ZINC000459408024 1032075128 /nfs/dbraw/zinc/07/51/28/1032075128.db2.gz PTMOCMXRWPYVSH-MRXNPFEDSA-N -1 0 338.411 3.695 20 0 EHADRM CC[C@H](C(=O)[O-])N(C)C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000653341452 968667676 /nfs/dbraw/zinc/66/76/76/968667676.db2.gz FABJNPZUCMQQMF-GXFFZTMASA-N -1 0 331.334 3.521 20 0 EHADRM C[C@H](CNC(=O)N[C@@H](C)c1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000655865481 968697012 /nfs/dbraw/zinc/69/70/12/968697012.db2.gz IIMTVPGNHAFKNI-KGLIPLIRSA-N -1 0 342.395 3.560 20 0 EHADRM CC(C)[C@H](CNC(=O)N1C[C@H](C)CC[C@@H]1c1ccccc1)C(=O)[O-] ZINC000655897022 968709032 /nfs/dbraw/zinc/70/90/32/968709032.db2.gz QJBWSANGBLHTDK-HYVNUMGLSA-N -1 0 332.444 3.526 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(c2nn3cc(C4CCCC4)nc3s2)C1 ZINC000662887443 968760014 /nfs/dbraw/zinc/76/00/14/968760014.db2.gz IHLYFXPMXDWLCO-GFCCVEGCSA-N -1 0 348.472 3.530 20 0 EHADRM CC(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000844251015 969245553 /nfs/dbraw/zinc/24/55/53/969245553.db2.gz AAARWMZTLWVKEC-HNNXBMFYSA-N -1 0 338.835 3.626 20 0 EHADRM CC1(C)COc2c1cccc2C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000848875397 969270478 /nfs/dbraw/zinc/27/04/78/969270478.db2.gz GJWGOGYPNVWUJZ-UHFFFAOYSA-N -1 0 339.391 3.626 20 0 EHADRM CCN(C(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C)[C@@H](C)C(=O)[O-] ZINC000851696360 969280693 /nfs/dbraw/zinc/28/06/93/969280693.db2.gz QHDAENDLFFEJIX-ZBFHGGJFSA-N -1 0 342.439 3.649 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Nc1ccccc1N1CCCC1 ZINC000899309006 969417854 /nfs/dbraw/zinc/41/78/54/969417854.db2.gz OCBGASXCCMZMBV-HNNXBMFYSA-N -1 0 345.443 3.538 20 0 EHADRM Cc1ccnc(Oc2cc(NC(=O)[C@]3(C(=O)[O-])C[C@H]3C)ccc2C)c1 ZINC000901917919 969491005 /nfs/dbraw/zinc/49/10/05/969491005.db2.gz OBYPLUGVVMAIRM-YJYMSZOUSA-N -1 0 340.379 3.540 20 0 EHADRM O=C([O-])CC[C@H]1Cc2ccccc2N(C(=O)c2ccccc2F)C1 ZINC000902829717 969572205 /nfs/dbraw/zinc/57/22/05/969572205.db2.gz FGQAJKMGVKVBPJ-ZDUSSCGKSA-N -1 0 327.355 3.510 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C2(Cc3cccs3)CCCCC2)C1 ZINC000909304329 969622468 /nfs/dbraw/zinc/62/24/68/969622468.db2.gz RJDDHNCIEQNGOU-QGZVFWFLSA-N -1 0 335.469 3.564 20 0 EHADRM O=C([O-])CCCCCNC(=O)N1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC001325302326 969701740 /nfs/dbraw/zinc/70/17/40/969701740.db2.gz AGIALWVKUXMWJY-PXNSSMCTSA-N -1 0 344.455 3.742 20 0 EHADRM O=C([O-])c1c(F)cc(NC(=O)c2cccc(Cl)c2F)cc1F ZINC000317256675 970343420 /nfs/dbraw/zinc/34/34/20/970343420.db2.gz LXANUGKKQHNCEV-UHFFFAOYSA-N -1 0 329.661 3.708 20 0 EHADRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)Nc1c(F)cccc1Cl ZINC000317695346 970380758 /nfs/dbraw/zinc/38/07/58/970380758.db2.gz GOKLHSNBCRMNBC-SKDRFNHKSA-N -1 0 328.771 3.634 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(Cl)c3cccnc23)s1 ZINC000318415177 970432510 /nfs/dbraw/zinc/43/25/10/970432510.db2.gz JIVPISLSJGILQK-UHFFFAOYSA-N -1 0 332.768 3.900 20 0 EHADRM CC(=O)c1cc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)ccc1F ZINC001609689686 970445945 /nfs/dbraw/zinc/44/59/45/970445945.db2.gz ODAXRMUIGXWFGK-UHFFFAOYSA-N -1 0 344.342 3.690 20 0 EHADRM O=C([O-])[C@H](CC1CCCCC1)NC(=O)c1nc(Cl)ccc1Cl ZINC000318978038 970493249 /nfs/dbraw/zinc/49/32/49/970493249.db2.gz HYYXHBGUVWXPFO-NSHDSACASA-N -1 0 345.226 3.542 20 0 EHADRM C[C@@H](C(=O)[O-])c1noc(-c2ccc3nc(-c4ccccc4)oc3c2)n1 ZINC001609717925 970493935 /nfs/dbraw/zinc/49/39/35/970493935.db2.gz GKHOKMZDCGPCMR-SNVBAGLBSA-N -1 0 335.319 3.733 20 0 EHADRM CSC[C@@H]1CCCN(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC000320224227 970633386 /nfs/dbraw/zinc/63/33/86/970633386.db2.gz VKGHKBVFWTZKIG-SNVBAGLBSA-N -1 0 342.848 3.645 20 0 EHADRM C[C@H]1CCCC[C@H]1CNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000320516534 970672639 /nfs/dbraw/zinc/67/26/39/970672639.db2.gz LMYICNWELMNKHK-UWVGGRQHSA-N -1 0 326.343 3.611 20 0 EHADRM CCOc1ccc2[nH]c(SCc3cc(C(=O)[O-])oc3C)nc2c1 ZINC000321022891 970736751 /nfs/dbraw/zinc/73/67/51/970736751.db2.gz OMVRJVBWQJIXTJ-UHFFFAOYSA-N -1 0 332.381 3.854 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@@H]2CCCCC2(F)F)cc1 ZINC000392916341 972544131 /nfs/dbraw/zinc/54/41/31/972544131.db2.gz VUKGZYFBPGUXGY-ZDUSSCGKSA-N -1 0 325.355 3.813 20 0 EHADRM CN(CCC(=O)[O-])C(=O)NCC1(c2ccc(C(C)(C)C)cc2)CCC1 ZINC001604143561 972552228 /nfs/dbraw/zinc/55/22/28/972552228.db2.gz UQDVHVHANHPMRV-UHFFFAOYSA-N -1 0 346.471 3.522 20 0 EHADRM C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC001605021199 972628600 /nfs/dbraw/zinc/62/86/00/972628600.db2.gz UANXVUUUESRLJE-GQMGFTQMSA-N -1 0 335.831 3.593 20 0 EHADRM O=C([O-])c1cc(NC(=O)N[C@H]2CCc3cccc4cccc2c43)ccn1 ZINC001605869030 972635245 /nfs/dbraw/zinc/63/52/45/972635245.db2.gz TXMDNLMMVRWRER-INIZCTEOSA-N -1 0 347.374 3.742 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)c2ccccc21 ZINC001603327862 972676503 /nfs/dbraw/zinc/67/65/03/972676503.db2.gz POWVTHJFKFFISU-WMLDXEAASA-N -1 0 344.455 3.695 20 0 EHADRM O=C([O-])[C@@H](C(=O)N1CCC(=Cc2cccc(F)c2)CC1)C1CCCC1 ZINC001605891296 972686434 /nfs/dbraw/zinc/68/64/34/972686434.db2.gz PBFOBZQQVJZBGL-GOSISDBHSA-N -1 0 345.414 3.723 20 0 EHADRM O=C([O-])[C@H](C(=O)N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1)C1CC1 ZINC001605892814 972695089 /nfs/dbraw/zinc/69/50/89/972695089.db2.gz HMWFNFUZUSPZJV-IMJJTQAJSA-N -1 0 335.831 3.593 20 0 EHADRM O=C([O-])[C@H](C(=O)N[C@H]1CCC[C@H](c2cccc(Cl)c2)C1)C1CC1 ZINC001605892813 972695176 /nfs/dbraw/zinc/69/51/76/972695176.db2.gz HMWFNFUZUSPZJV-BPUTZDHNSA-N -1 0 335.831 3.593 20 0 EHADRM CC1(C)CCc2cccc(NC(=O)c3ccc(C(=O)[O-])cc3)c2O1 ZINC001603329603 972696957 /nfs/dbraw/zinc/69/69/57/972696957.db2.gz UDNZMVZTUHFONY-UHFFFAOYSA-N -1 0 325.364 3.741 20 0 EHADRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N[C@H]1CC(C)(C)CCc2ccccc21 ZINC001603329759 972696992 /nfs/dbraw/zinc/69/69/92/972696992.db2.gz WWRBSOVQZZJLKM-YWZLYKJASA-N -1 0 329.440 3.707 20 0 EHADRM CC1(C)CN(C(=O)Nc2ccccc2CC(=O)[O-])[C@@H]1c1ccco1 ZINC001603334131 972701694 /nfs/dbraw/zinc/70/16/94/972701694.db2.gz KLBFSWPGEGSRFG-MRXNPFEDSA-N -1 0 328.368 3.522 20 0 EHADRM Cc1cc(C(=O)[O-])cc(C(=O)NCCCO[C@H](C)c2ccccc2)c1 ZINC001605138879 972805797 /nfs/dbraw/zinc/80/57/97/972805797.db2.gz STJXPEYENXEMJO-OAHLLOKOSA-N -1 0 341.407 3.591 20 0 EHADRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001603366639 972857923 /nfs/dbraw/zinc/85/79/23/972857923.db2.gz VCJNBMUMNFMIOG-PSASIEDQSA-N -1 0 349.736 3.542 20 0 EHADRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001603366651 972858445 /nfs/dbraw/zinc/85/84/45/972858445.db2.gz VCJNBMUMNFMIOG-WPRPVWTQSA-N -1 0 349.736 3.542 20 0 EHADRM Cc1cc(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c2ccccc2n1 ZINC000396354490 972864169 /nfs/dbraw/zinc/86/41/69/972864169.db2.gz BNSVXVXRSIVAOX-CYBMUJFWSA-N -1 0 334.375 3.984 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N(C)Cc2cccc(F)c2)cc1 ZINC000396396181 972874445 /nfs/dbraw/zinc/87/44/45/972874445.db2.gz UOXFDQKCEQNRPI-GFCCVEGCSA-N -1 0 330.359 3.678 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)NCc2ccc(Cl)cc2)cc1 ZINC000396434655 972884869 /nfs/dbraw/zinc/88/48/69/972884869.db2.gz KJZFZVIKHLYMNR-LLVKDONJSA-N -1 0 332.787 3.850 20 0 EHADRM Cc1cc(NC(=O)Nc2cnn([C@@H](C)C3CC3)c2)ccc1C(=O)[O-] ZINC001605207465 972951090 /nfs/dbraw/zinc/95/10/90/972951090.db2.gz ZEGZOFCSAWEPSB-NSHDSACASA-N -1 0 328.372 3.505 20 0 EHADRM Cc1ccc(-c2ncccc2NC(=O)N([C@H](C)C(=O)[O-])C2CC2)s1 ZINC001605238071 972995542 /nfs/dbraw/zinc/99/55/42/972995542.db2.gz YKKXWFGUVJXNIJ-LLVKDONJSA-N -1 0 345.424 3.588 20 0 EHADRM C[C@@H]1CCCC[C@H]1CCNC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001603404671 973054547 /nfs/dbraw/zinc/05/45/47/973054547.db2.gz CUPZKJHJGIERED-GQIGUUNPSA-N -1 0 346.471 3.545 20 0 EHADRM Cc1ccc2cc(C(=O)N[C@@H]3C[C@H](C(=O)[O-])c4ccccc43)[nH]c2c1 ZINC001605314474 973140131 /nfs/dbraw/zinc/14/01/31/973140131.db2.gz PCIMADAZHDPLPL-DOTOQJQBSA-N -1 0 334.375 3.519 20 0 EHADRM Cc1ccc2cc(Cl)cc(C(=O)Nc3ncccc3C(=O)[O-])c2n1 ZINC001605314558 973141226 /nfs/dbraw/zinc/14/12/26/973141226.db2.gz VDIYWDFPHXIJBM-UHFFFAOYSA-N -1 0 341.754 3.542 20 0 EHADRM O=C([O-])[C@@H]1CN(Cc2ncc(-c3cccs3)o2)Cc2ccccc21 ZINC001606048763 973157661 /nfs/dbraw/zinc/15/76/61/973157661.db2.gz OQSFYZYXQZJRKZ-CQSZACIVSA-N -1 0 340.404 3.587 20 0 EHADRM Cc1cccc(C(=O)[O-])c1NC(=O)COc1cccc(Cl)c1C ZINC001605321329 973158619 /nfs/dbraw/zinc/15/86/19/973158619.db2.gz GYRLEASVONHHKN-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM Cc1cccc([C@H](NC(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)C(=O)[O-])c1 ZINC001605326877 973163448 /nfs/dbraw/zinc/16/34/48/973163448.db2.gz ASVNMEVBOXFYNG-KSZLIROESA-N -1 0 341.382 3.570 20 0 EHADRM O=C([O-])/C=C/c1cc(C(=O)N2CCCc3cccc(Cl)c32)co1 ZINC001606063568 973191808 /nfs/dbraw/zinc/19/18/08/973191808.db2.gz RFDKEZRUHWTWCS-VOTSOKGWSA-N -1 0 331.755 3.624 20 0 EHADRM C[C@H](CN(C)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F)C(C)(C)C ZINC000399437469 973219524 /nfs/dbraw/zinc/21/95/24/973219524.db2.gz KUWYFDNXRZDCKY-SECBINFHSA-N -1 0 328.359 3.809 20 0 EHADRM Cc1cccc(C2(CNC(=O)NCCC(C)(C)C(=O)[O-])CCCC2)c1 ZINC001605335920 973223447 /nfs/dbraw/zinc/22/34/47/973223447.db2.gz VILBWXWRGHWXRM-UHFFFAOYSA-N -1 0 346.471 3.607 20 0 EHADRM Cc1cccc(N(C(=O)c2cccc(C(=O)[O-])c2)C2CCOCC2)c1 ZINC001605340744 973231476 /nfs/dbraw/zinc/23/14/76/973231476.db2.gz RZDQXABGEMNNDT-UHFFFAOYSA-N -1 0 339.391 3.519 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)Nc2cccc3c(Cl)nccc23)C1 ZINC001606089397 973251364 /nfs/dbraw/zinc/25/13/64/973251364.db2.gz KLCVLSYTAZRQCT-LLVKDONJSA-N -1 0 347.802 3.607 20 0 EHADRM Cc1ccccc1-c1cnc(CN[C@@](C)(C(=O)[O-])c2ccccc2)o1 ZINC001605351339 973257569 /nfs/dbraw/zinc/25/75/69/973257569.db2.gz JYRBSTDASJDRMB-HXUWFJFHSA-N -1 0 336.391 3.740 20 0 EHADRM C[C@@H]1CN(Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)c2ccccc21 ZINC001603460182 973278719 /nfs/dbraw/zinc/27/87/19/973278719.db2.gz AGNADDZHHFZJQQ-CQSZACIVSA-N -1 0 340.423 3.704 20 0 EHADRM O=C([O-])CC[C@H]1C[C@@H](C(=O)Oc2cccc(C3CCCC3)c2)CO1 ZINC001606116783 973344466 /nfs/dbraw/zinc/34/44/66/973344466.db2.gz OQDBVIRZKLCCHP-CVEARBPZSA-N -1 0 332.396 3.520 20 0 EHADRM O=C([O-])CCCCC(=O)Oc1ccc(Cl)c(Br)c1 ZINC001606146427 973405213 /nfs/dbraw/zinc/40/52/13/973405213.db2.gz YYLQKFVFVLSTET-UHFFFAOYSA-N -1 0 335.581 3.653 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(F)c(Oc2ccccc2)c(F)c1 ZINC001603492857 973443971 /nfs/dbraw/zinc/44/39/71/973443971.db2.gz VDQYTIKNUNAACL-HNNXBMFYSA-N -1 0 349.333 3.692 20 0 EHADRM CC[C@@H](CC(=O)N1CCC[C@](CC)(C(=O)[O-])C1)c1ccc(OC)cc1 ZINC001603516733 973536524 /nfs/dbraw/zinc/53/65/24/973536524.db2.gz UQXOXRHWQCLENB-YWZLYKJASA-N -1 0 347.455 3.682 20 0 EHADRM CC[C@H](CC(F)(F)F)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000402479179 973609616 /nfs/dbraw/zinc/60/96/16/973609616.db2.gz FGFJSNAGRNGINW-SNVBAGLBSA-N -1 0 331.334 3.966 20 0 EHADRM CC[C@@H](CNC(=O)C(CC)(CC)C(=O)[O-])Oc1ccccc1Cl ZINC001603550921 973622904 /nfs/dbraw/zinc/62/29/04/973622904.db2.gz UILAASWZTWOKAA-LBPRGKRZSA-N -1 0 341.835 3.505 20 0 EHADRM CC[C@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1F)CC(F)(F)F ZINC000402714756 973643658 /nfs/dbraw/zinc/64/36/58/973643658.db2.gz FXSKMZGFRXYOER-QMMMGPOBSA-N -1 0 336.285 3.624 20 0 EHADRM CC[C@H](CNC(=O)N1CCc2c1cccc2-c1ccccc1)C(=O)[O-] ZINC001603558884 973652942 /nfs/dbraw/zinc/65/29/42/973652942.db2.gz DQGCWMHUQSJIEB-CQSZACIVSA-N -1 0 338.407 3.537 20 0 EHADRM CC[C@H](NC(=O)Nc1cc(C(=O)[O-])ccn1)c1cccc(Cl)c1 ZINC001603582294 973741514 /nfs/dbraw/zinc/74/15/14/973741514.db2.gz HTKANLQMMLMFLZ-ZDUSSCGKSA-N -1 0 333.775 3.706 20 0 EHADRM CC[C@H](NC(=O)NCCC(C)(C)C(=O)[O-])C(C)(C)c1ccccc1 ZINC001603582496 973744591 /nfs/dbraw/zinc/74/45/91/973744591.db2.gz MHCXSNXSOIWJOC-HNNXBMFYSA-N -1 0 334.460 3.543 20 0 EHADRM CC[C@@H](NC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)C1CCCCC1 ZINC001603582922 973747408 /nfs/dbraw/zinc/74/74/08/973747408.db2.gz UFHHKCUVBYIVAJ-XLIONFOSSA-N -1 0 346.471 3.687 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CCc2ccccc2[C@H](C)C1 ZINC000404817019 973752783 /nfs/dbraw/zinc/75/27/83/973752783.db2.gz CBGHGHHOHJTNDO-CQSZACIVSA-N -1 0 338.407 3.887 20 0 EHADRM Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC000405228517 973792956 /nfs/dbraw/zinc/79/29/56/973792956.db2.gz FIXKQOKUNQRLQB-LLVKDONJSA-N -1 0 335.787 3.625 20 0 EHADRM O=C([O-])[C@@H]1CC[C@H]1C(=O)N[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC001606400325 973855152 /nfs/dbraw/zinc/85/51/52/973855152.db2.gz ZRDODZQURZWRKA-ARLBYUKCSA-N -1 0 335.831 3.593 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)Nc2cccc3[nH]ccc32)C[C@H]1c1ccccc1 ZINC001606427403 973873382 /nfs/dbraw/zinc/87/33/82/973873382.db2.gz JWLGXFNIHIJIAN-JKSUJKDBSA-N -1 0 349.390 3.500 20 0 EHADRM CC[C@@](CNC(=O)[C@@H](C)c1cccc(C)c1)(C(=O)[O-])c1ccccc1 ZINC000414445119 973940184 /nfs/dbraw/zinc/94/01/84/973940184.db2.gz VXJCMAXNOPVZOB-KKSFZXQISA-N -1 0 339.435 3.647 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)C[C@H]2CCOc3ccccc32)c1 ZINC000414459475 973941485 /nfs/dbraw/zinc/94/14/85/973941485.db2.gz XINSMXLCSLOOOV-DZGCQCFKSA-N -1 0 339.391 3.770 20 0 EHADRM Cc1cc(C)cc([C@H](NCc2cnc(C3CCC3)s2)C(=O)[O-])c1 ZINC000417557561 973960714 /nfs/dbraw/zinc/96/07/14/973960714.db2.gz BWRYUBOAYMCYPH-INIZCTEOSA-N -1 0 330.453 3.943 20 0 EHADRM CCC[C@@H]1CCc2nc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)sc2C1 ZINC001603636073 973972472 /nfs/dbraw/zinc/97/24/72/973972472.db2.gz NPIYHIAPZRKHBR-ZWNOBZJWSA-N -1 0 338.473 3.734 20 0 EHADRM Cc1coc(-c2ccc(C)c(NC(=O)NCCC(C)(C)C(=O)[O-])c2)n1 ZINC000424386386 974024714 /nfs/dbraw/zinc/02/47/14/974024714.db2.gz VNALIBMPNJVVPL-UHFFFAOYSA-N -1 0 345.399 3.581 20 0 EHADRM CC(C)(CCNC(=O)N[C@H]1CCCc2sc(Cl)cc21)C(=O)[O-] ZINC000424399701 974028386 /nfs/dbraw/zinc/02/83/86/974028386.db2.gz RFGALDYPAUAWAE-JTQLQIEISA-N -1 0 344.864 3.579 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)NCC(CC)(CC)C(=O)[O-] ZINC000424407448 974029976 /nfs/dbraw/zinc/02/99/76/974029976.db2.gz BVGBHOBTGZJCHQ-UHFFFAOYSA-N -1 0 346.880 3.824 20 0 EHADRM C[C@H]1CCCC[C@@H]1C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000425242008 974039149 /nfs/dbraw/zinc/03/91/49/974039149.db2.gz BMUILSNDQONTRH-JSGCOSHPSA-N -1 0 339.382 3.594 20 0 EHADRM CCCOc1cc(F)ccc1NC(=O)NCc1ccccc1C(=O)[O-] ZINC001603678806 974067974 /nfs/dbraw/zinc/06/79/74/974067974.db2.gz ITLXYJLIUQYWFV-UHFFFAOYSA-N -1 0 346.358 3.634 20 0 EHADRM Cc1ccc(C(C)C)c(OCC(=O)NCC2(C(=O)[O-])CCCCC2)c1 ZINC000431879401 974077423 /nfs/dbraw/zinc/07/74/23/974077423.db2.gz UTZQUDMBOFWSPM-UHFFFAOYSA-N -1 0 347.455 3.649 20 0 EHADRM C[C@@]1(NC(=O)c2ccc(-c3ccccc3F)o2)CCCC[C@@H]1C(=O)[O-] ZINC000432089639 974084009 /nfs/dbraw/zinc/08/40/09/974084009.db2.gz OYANFPDMNUAQOD-BFUOFWGJSA-N -1 0 345.370 3.849 20 0 EHADRM CC(C)(CCC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000432112932 974087992 /nfs/dbraw/zinc/08/79/92/974087992.db2.gz DRMQDFSTQKPQLX-UZLBHIALSA-N -1 0 331.456 3.894 20 0 EHADRM COc1cccc(CN2C[C@H](CCC(=O)[O-])Cc3ccccc32)c1 ZINC001604863409 974108569 /nfs/dbraw/zinc/10/85/69/974108569.db2.gz YQTRVKQAEGGSLO-MRXNPFEDSA-N -1 0 325.408 3.739 20 0 EHADRM CCN(C(=O)Nc1cccc(COC(C)(C)C)c1C)[C@H](C)C(=O)[O-] ZINC001603715096 974131184 /nfs/dbraw/zinc/13/11/84/974131184.db2.gz BRSMTBRTHFOYJY-CYBMUJFWSA-N -1 0 336.432 3.637 20 0 EHADRM CC[C@H](C(=O)N[C@@](C)(CC(=O)[O-])c1cccc(F)c1)c1ccccc1 ZINC000448995667 974134668 /nfs/dbraw/zinc/13/46/68/974134668.db2.gz FAMKKXFFDHHLNS-PXNSSMCTSA-N -1 0 343.398 3.826 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)CCCc1ccccc1)c1cccc(F)c1 ZINC000448996095 974135659 /nfs/dbraw/zinc/13/56/59/974135659.db2.gz RAQFZKHTCBYQMU-FQEVSTJZSA-N -1 0 343.398 3.655 20 0 EHADRM CCN(C(=O)Nc1ccccc1COC(C)(C)CC)[C@H](C)C(=O)[O-] ZINC001603716098 974142092 /nfs/dbraw/zinc/14/20/92/974142092.db2.gz NFBMWCCOVUNHNE-CYBMUJFWSA-N -1 0 336.432 3.719 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000455912210 974167044 /nfs/dbraw/zinc/16/70/44/974167044.db2.gz WDPVJSGHKJDOOP-HNNXBMFYSA-N -1 0 335.444 3.585 20 0 EHADRM CSc1ccsc1C(=O)N[C@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000455919077 974168962 /nfs/dbraw/zinc/16/89/62/974168962.db2.gz DWMKWYUGYPYELG-DGCLKSJQSA-N -1 0 349.477 3.532 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CCc1cccc(F)c1F ZINC000472001118 974199362 /nfs/dbraw/zinc/19/93/62/974199362.db2.gz FZZLINXBHVOGRP-UHFFFAOYSA-N -1 0 333.334 3.851 20 0 EHADRM C[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ccc(Oc2ccccc2)c(F)c1 ZINC000485661860 974231353 /nfs/dbraw/zinc/23/13/53/974231353.db2.gz BZSRRFSDFSCABZ-NILFDRSVSA-N -1 0 343.354 3.516 20 0 EHADRM CC(C)(C)c1ccc(CCCC(=O)NC2(CC(=O)[O-])CCC2)cc1 ZINC000486058608 974243456 /nfs/dbraw/zinc/24/34/56/974243456.db2.gz FRKWEOCKFKMWBY-UHFFFAOYSA-N -1 0 331.456 3.820 20 0 EHADRM Cc1coc(CC(=O)[O-])c1C(=O)N1CC(C)(C)C[C@H]1c1ccccc1 ZINC000514732121 974291621 /nfs/dbraw/zinc/29/16/21/974291621.db2.gz BNPAGPZXEAGTNF-HNNXBMFYSA-N -1 0 341.407 3.829 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000515671715 974301201 /nfs/dbraw/zinc/30/12/01/974301201.db2.gz UHZDTSVVSMQSQR-HNNXBMFYSA-N -1 0 343.398 3.855 20 0 EHADRM Cc1ccc(-c2nc(CN(C3CC3)C3(C(=O)[O-])CCC3)co2)cc1 ZINC000516091712 974303815 /nfs/dbraw/zinc/30/38/15/974303815.db2.gz RTHQKVBYJUNFPD-UHFFFAOYSA-N -1 0 326.396 3.622 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)NCC(C)(C)Cc1cccc(Cl)c1 ZINC000522014207 974348840 /nfs/dbraw/zinc/34/88/40/974348840.db2.gz QDRWWVHWHQQXDU-LBPRGKRZSA-N -1 0 325.836 3.526 20 0 EHADRM C[C@H](NC(=O)c1cccc(OCC(=O)[O-])c1)c1cccc2ccccc21 ZINC000538475513 974388747 /nfs/dbraw/zinc/38/87/47/974388747.db2.gz XWTIAIYBHLUXOH-AWEZNQCLSA-N -1 0 349.386 3.794 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)CCSc1ccccc1Cl ZINC000538511731 974390183 /nfs/dbraw/zinc/39/01/83/974390183.db2.gz GIBFKXGHUZKWKS-UHFFFAOYSA-N -1 0 343.876 3.972 20 0 EHADRM CCSc1ccccc1CC(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1 ZINC001603895045 974393548 /nfs/dbraw/zinc/39/35/48/974393548.db2.gz CWYKECIMECVBSN-GOSISDBHSA-N -1 0 343.448 3.592 20 0 EHADRM O=C([O-])[C@H](CNC(=O)CC1CCCCCC1)Cc1cccc(F)c1 ZINC000540669439 974404565 /nfs/dbraw/zinc/40/45/65/974404565.db2.gz IMZRDSFJZFLWGV-INIZCTEOSA-N -1 0 335.419 3.546 20 0 EHADRM COc1cc(Cl)c(C)cc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000540775168 974407684 /nfs/dbraw/zinc/40/76/84/974407684.db2.gz VOMWXLNXPFPZDC-UHFFFAOYSA-N -1 0 347.798 3.927 20 0 EHADRM Cc1ccc(NC(=O)CCc2cn(C)c3ccccc23)c(C(=O)[O-])c1 ZINC000541589487 974411994 /nfs/dbraw/zinc/41/19/94/974411994.db2.gz XYJAXRVOJGSRLV-UHFFFAOYSA-N -1 0 336.391 3.756 20 0 EHADRM CC[C@H](NC(=O)Nc1ccccc1CC(=O)[O-])c1ccccc1F ZINC001603951764 974432188 /nfs/dbraw/zinc/43/21/88/974432188.db2.gz UTZMNGJCUJQVMU-HNNXBMFYSA-N -1 0 330.359 3.726 20 0 EHADRM CCc1c(NC(=O)Nc2cc(C(=O)[O-])ccn2)cnn1C(CC)CC ZINC001603966809 974442373 /nfs/dbraw/zinc/44/23/73/974442373.db2.gz WLALDGGPWMFNHS-UHFFFAOYSA-N -1 0 345.403 3.544 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000563423695 974530920 /nfs/dbraw/zinc/53/09/20/974530920.db2.gz ORBGGOYFCMROSV-CXAGYDPISA-N -1 0 328.412 3.722 20 0 EHADRM Cc1csc(CCCC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)n1 ZINC000565031357 974561941 /nfs/dbraw/zinc/56/19/41/974561941.db2.gz OGTOBKHXXGEXAF-UHFFFAOYSA-N -1 0 338.816 3.765 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000565226590 974575589 /nfs/dbraw/zinc/57/55/89/974575589.db2.gz YBGXQHQDEPMOTN-QPUJVOFHSA-N -1 0 330.211 3.598 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(NCC[C@@H]3CCO[C@H](C)C3)c12 ZINC000566291621 974603218 /nfs/dbraw/zinc/60/32/18/974603218.db2.gz QNECBVYRRGSQLO-BXKDBHETSA-N -1 0 349.456 3.623 20 0 EHADRM CN(Cc1cc(Br)cs1)[C@H](C(=O)[O-])c1ccsc1 ZINC000566357633 974607726 /nfs/dbraw/zinc/60/77/26/974607726.db2.gz GKBVGUZYZVWHDL-NSHDSACASA-N -1 0 346.271 3.830 20 0 EHADRM CCC[C@@H]1CCC[C@@H]1C(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC000566984350 974625465 /nfs/dbraw/zinc/62/54/65/974625465.db2.gz HSXXELCVBDMEKX-LXZKKBNFSA-N -1 0 333.428 3.544 20 0 EHADRM O=C([O-])c1ccc(Cl)c(CN2CCO[C@H](c3ccccc3F)C2)c1 ZINC000568059642 974655959 /nfs/dbraw/zinc/65/59/59/974655959.db2.gz HLFZNEBTPLBXJQ-KRWDZBQOSA-N -1 0 349.789 3.751 20 0 EHADRM Cc1ccc(C[C@@H](Sc2nccc(C(F)(F)F)n2)C(=O)[O-])cc1 ZINC000568647641 974675549 /nfs/dbraw/zinc/67/55/49/974675549.db2.gz UXUKZCJBSSAZSN-LLVKDONJSA-N -1 0 342.342 3.592 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC000569401897 974691208 /nfs/dbraw/zinc/69/12/08/974691208.db2.gz KAHAQQMFPFSPGM-MRXNPFEDSA-N -1 0 326.396 3.687 20 0 EHADRM CCO[C@@H](C)c1nc(CN(C)[C@H](C(=O)[O-])c2ccsc2)cs1 ZINC000569934614 974702167 /nfs/dbraw/zinc/70/21/67/974702167.db2.gz KCRQTMCWVIFYHN-GWCFXTLKSA-N -1 0 340.470 3.560 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc(OCc2ccccc2F)cc1 ZINC000570343052 974708838 /nfs/dbraw/zinc/70/88/38/974708838.db2.gz DTTZLCDYQFHUPS-CYBMUJFWSA-N -1 0 345.370 3.844 20 0 EHADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])Cc1nc(C2CCCC2)no1 ZINC000571582998 974732554 /nfs/dbraw/zinc/73/25/54/974732554.db2.gz PNXWDXUVOAHDFW-INIZCTEOSA-N -1 0 343.427 3.765 20 0 EHADRM CC(C)c1cccc(O[C@H](C)C(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC000572438074 974748277 /nfs/dbraw/zinc/74/82/77/974748277.db2.gz WKFHPLDYVHUYQQ-LLVKDONJSA-N -1 0 333.409 3.976 20 0 EHADRM Cc1ccc(S([O-])=CC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1C ZINC000107962930 1014214918 /nfs/dbraw/zinc/21/49/18/1014214918.db2.gz BEUUJHAXAXTIJX-PSLXWICFSA-N -1 0 349.883 3.942 20 0 EHADRM Cc1ccc(C(N)=O)cc1Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001211487820 1014215725 /nfs/dbraw/zinc/21/57/25/1014215725.db2.gz QTFTVPIUFOHXIA-UHFFFAOYSA-N -1 0 338.285 3.555 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2cnc3ccsc3c2)cc1)C(=O)[O-] ZINC000576895708 974824721 /nfs/dbraw/zinc/82/47/21/974824721.db2.gz HBDQFOYQPQGFQN-LLVKDONJSA-N -1 0 340.404 3.812 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CN1CCC[C@H]1c1nc2ccccc2n1C ZINC000577118205 974829337 /nfs/dbraw/zinc/82/93/37/974829337.db2.gz UOVQTPSHJALEQB-INIZCTEOSA-N -1 0 339.395 3.510 20 0 EHADRM Cc1sc(C(=O)[O-])cc1CN1CCO[C@H](CCc2ccccc2)C1 ZINC000578137710 974848237 /nfs/dbraw/zinc/84/82/37/974848237.db2.gz TUWMSIMNIASGMP-QGZVFWFLSA-N -1 0 345.464 3.588 20 0 EHADRM Cc1ccc(NC(=O)Cc2ccccc2OC(C)C)c(C(=O)[O-])c1 ZINC000580601565 974896673 /nfs/dbraw/zinc/89/66/73/974896673.db2.gz JZOSTAAYYDOPLG-UHFFFAOYSA-N -1 0 327.380 3.662 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CCCC[C@@H]2C2CC2)C[C@@H]1c1ccccc1 ZINC000580716155 974898685 /nfs/dbraw/zinc/89/86/85/974898685.db2.gz AGPMSUMMLKJUNM-FCGDIQPGSA-N -1 0 341.451 3.530 20 0 EHADRM CCOC1CC(CCNc2nc(C)nc3sc(C(=O)[O-])c(C)c32)C1 ZINC000582847591 974932156 /nfs/dbraw/zinc/93/21/56/974932156.db2.gz XQEBCKPHMZHBBL-UHFFFAOYSA-N -1 0 349.456 3.623 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)c2cccc(C3CC3)c2)c1OC ZINC000583703935 974944496 /nfs/dbraw/zinc/94/44/96/974944496.db2.gz OLWFFFPHHHFFRY-UHFFFAOYSA-N -1 0 341.363 3.532 20 0 EHADRM CCSCc1cccc(NC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000600964643 975012650 /nfs/dbraw/zinc/01/26/50/975012650.db2.gz RXGHZKJHICVXMN-SWLSCSKDSA-N -1 0 336.457 3.514 20 0 EHADRM C[C@@H](S[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1)C(=O)[O-] ZINC000618022561 975024353 /nfs/dbraw/zinc/02/43/53/975024353.db2.gz QQUHJPXDNFNZDS-QWHCGFSZSA-N -1 0 329.421 3.887 20 0 EHADRM O=C([O-])c1cccc2c1CCN(C(=O)C[C@H]1CCCc3ccccc31)C2 ZINC000621579676 975040634 /nfs/dbraw/zinc/04/06/34/975040634.db2.gz WKRYQKUKDASYPY-MRXNPFEDSA-N -1 0 349.430 3.780 20 0 EHADRM C[C@@H](CC(=O)N1CCc2c(cccc2C(=O)[O-])C1)c1ccccc1F ZINC000621579592 975040751 /nfs/dbraw/zinc/04/07/51/975040751.db2.gz RLKIPHPXTKNCKC-ZDUSSCGKSA-N -1 0 341.382 3.602 20 0 EHADRM Cc1cc(C)cc(CCC(=O)N2CCc3c(cccc3C(=O)[O-])C2)c1 ZINC000621580385 975042057 /nfs/dbraw/zinc/04/20/57/975042057.db2.gz ZOHHYVFEUXQHSI-UHFFFAOYSA-N -1 0 337.419 3.519 20 0 EHADRM C[C@H](CC(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1)c1ccccc1 ZINC000621587381 975044587 /nfs/dbraw/zinc/04/45/87/975044587.db2.gz ARYGXHOBTJNDSI-MNEFBYGVSA-N -1 0 337.419 3.997 20 0 EHADRM CSc1ccc(C(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)cc1 ZINC000621588221 975045382 /nfs/dbraw/zinc/04/53/82/975045382.db2.gz SODCHOYQRNTAIE-IRXDYDNUSA-N -1 0 341.432 3.839 20 0 EHADRM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)[C@@H]1CCc2ccccc2C1 ZINC000621588605 975046252 /nfs/dbraw/zinc/04/62/52/975046252.db2.gz AHRTZPPVUWDGSV-AABGKKOBSA-N -1 0 349.430 3.608 20 0 EHADRM CC[C@@H](CC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC000621610473 975059290 /nfs/dbraw/zinc/05/92/90/975059290.db2.gz KHQBBRRRVSTRKW-RYUDHWBXSA-N -1 0 332.425 3.602 20 0 EHADRM CC(C)c1cnc(N2CCC(c3ncc(C(=O)[O-])s3)CC2)s1 ZINC000629384375 975092903 /nfs/dbraw/zinc/09/29/03/975092903.db2.gz UWMNMUNWFAYRJV-UHFFFAOYSA-N -1 0 337.470 3.805 20 0 EHADRM Cc1nc2cc(NC(=O)c3ccc4[n-]c(=S)oc4c3)ccc2o1 ZINC000118762329 1014235152 /nfs/dbraw/zinc/23/51/52/1014235152.db2.gz IDXICJJKRQVAQT-UHFFFAOYSA-N -1 0 325.349 3.818 20 0 EHADRM Cc1cc(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)oc1C(=O)[O-] ZINC000630102956 975101934 /nfs/dbraw/zinc/10/19/34/975101934.db2.gz LTOWBQSXYMQSNV-SECBINFHSA-N -1 0 341.285 3.796 20 0 EHADRM Cc1ccccc1CO[C@@H](C)C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000630121614 975110063 /nfs/dbraw/zinc/11/00/63/975110063.db2.gz DTDDUNOIVZPKEJ-AWEZNQCLSA-N -1 0 327.380 3.545 20 0 EHADRM Cc1c(NC(=O)[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)cccc1C(=O)[O-] ZINC000630122770 975110891 /nfs/dbraw/zinc/11/08/91/975110891.db2.gz LZOLGIJEYSXLLK-HYVNUMGLSA-N -1 0 341.794 3.871 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)c1ccc(C(F)F)o1)C(=O)[O-] ZINC000630122160 975110900 /nfs/dbraw/zinc/11/09/00/975110900.db2.gz ILICEEWWZBHCCH-LLVKDONJSA-N -1 0 337.322 3.580 20 0 EHADRM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2cncc(C(=O)[O-])c2)o1 ZINC000630122283 975110989 /nfs/dbraw/zinc/11/09/89/975110989.db2.gz IWGDWHZYRSMMCN-LRDDRELGSA-N -1 0 342.395 3.549 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000630130271 975115613 /nfs/dbraw/zinc/11/56/13/975115613.db2.gz JUMZOKZPIQICON-GGPKGHCWSA-N -1 0 349.430 3.781 20 0 EHADRM C[C@H](CC(=O)NCc1c2ccccc2sc1C(=O)[O-])C(F)(F)F ZINC000630137415 975121181 /nfs/dbraw/zinc/12/11/81/975121181.db2.gz PYOKJKDMAJOVAW-MRVPVSSYSA-N -1 0 345.342 3.804 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)C[C@H](C)c2ccco2)cc1 ZINC000630144910 975128398 /nfs/dbraw/zinc/12/83/98/975128398.db2.gz ODVIQUDCENMUEW-SWLSCSKDSA-N -1 0 347.436 3.827 20 0 EHADRM CCC[C@@H](NC(=O)c1cc(C)c(C(=O)[O-])o1)c1ccc(F)cc1F ZINC000630154281 975131887 /nfs/dbraw/zinc/13/18/87/975131887.db2.gz WNOOOOFGIMHBIU-CYBMUJFWSA-N -1 0 337.322 3.836 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000630161616 975136791 /nfs/dbraw/zinc/13/67/91/975136791.db2.gz YAGXJBCJOLDXMG-SJORKVTESA-N -1 0 327.355 3.585 20 0 EHADRM Cc1cc(C)c(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)s1 ZINC000630164419 975138863 /nfs/dbraw/zinc/13/88/63/975138863.db2.gz WDZOODHYLYPRDQ-HNNXBMFYSA-N -1 0 331.437 3.571 20 0 EHADRM Cc1cc(C(=O)N2C[C@H](C)C[C@@H]2c2ccccc2F)oc1C(=O)[O-] ZINC000630170060 975141016 /nfs/dbraw/zinc/14/10/16/975141016.db2.gz IDWXTCNVTPWMON-QMTHXVAHSA-N -1 0 331.343 3.649 20 0 EHADRM CC[C@H]1CCCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000630172881 975142927 /nfs/dbraw/zinc/14/29/27/975142927.db2.gz HIBMRTQQONQNDG-XOYOTBSWSA-N -1 0 329.440 3.530 20 0 EHADRM CCC[C@H](C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1)c1ccccn1 ZINC000630194713 975152563 /nfs/dbraw/zinc/15/25/63/975152563.db2.gz TURUIBQYSZHDNM-CJNGLKHVSA-N -1 0 326.396 3.792 20 0 EHADRM C[C@@H](Oc1ccc(NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)cc1F)C(=O)[O-] ZINC000630260579 975204836 /nfs/dbraw/zinc/20/48/36/975204836.db2.gz KWTKHHWYWGPJLB-NTZNESFSSA-N -1 0 337.391 3.688 20 0 EHADRM O=C([O-])[C@H](CNC(=O)[C@@H](c1ccccc1)C1CC1)C1CCCCC1 ZINC000630268104 975211628 /nfs/dbraw/zinc/21/16/28/975211628.db2.gz VZPAHNDETLLIHR-MSOLQXFVSA-N -1 0 329.440 3.578 20 0 EHADRM CC(C)CN(CCc1ccc(F)cc1)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000630272096 975216299 /nfs/dbraw/zinc/21/62/99/975216299.db2.gz ANIWRZHXMCILLU-QAQDUYKDSA-N -1 0 349.446 3.744 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc3ccccc3s2)[C@H]2CCC[C@@H]21 ZINC000630275165 975219891 /nfs/dbraw/zinc/21/98/91/975219891.db2.gz RZOWUGATGBNRIQ-MCIONIFRSA-N -1 0 329.421 3.617 20 0 EHADRM CC[C@H](CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21)c1ccc(C)cc1 ZINC000630277369 975221826 /nfs/dbraw/zinc/22/18/26/975221826.db2.gz FXKITMZYTNBQCQ-YSHGAJCASA-N -1 0 343.467 3.981 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)[C@H]2CCC[C@H]21 ZINC000630283288 975228395 /nfs/dbraw/zinc/22/83/95/975228395.db2.gz SBIPPVYSUMFOGP-MJBXVCDLSA-N -1 0 342.222 3.709 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)NCC1C(C)(C)C1(C)C)C(=O)[O-] ZINC000630289896 975233050 /nfs/dbraw/zinc/23/30/50/975233050.db2.gz SUOVABFJTUQESL-LLVKDONJSA-N -1 0 335.469 3.664 20 0 EHADRM CC(C)c1ccc(CN(C)C(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000630291285 975233495 /nfs/dbraw/zinc/23/34/95/975233495.db2.gz SERHTIVEHJFFSG-UHFFFAOYSA-N -1 0 325.408 3.709 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)NC[C@@H]1CCCC[C@H]1C)C(=O)[O-] ZINC000630291229 975233831 /nfs/dbraw/zinc/23/38/31/975233831.db2.gz YESDFVMBXXEDOJ-RDBSUJKOSA-N -1 0 335.469 3.808 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCC(c3cccc(Cl)c3)CC2)C1 ZINC000630296383 975235588 /nfs/dbraw/zinc/23/55/88/975235588.db2.gz BQZFKFBKDDEQKN-JKSUJKDBSA-N -1 0 349.858 3.937 20 0 EHADRM Cc1ccc(SC[C@@H](C)NC(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC000630297928 975237245 /nfs/dbraw/zinc/23/72/45/975237245.db2.gz SDQGDHJUQCUXKU-CQSZACIVSA-N -1 0 343.448 3.533 20 0 EHADRM CC(C)(CNC(=O)CCc1ccccc1C(=O)[O-])C1=CCCCC1 ZINC000630302082 975240158 /nfs/dbraw/zinc/24/01/58/975240158.db2.gz WXTRLVFEGJHDBO-UHFFFAOYSA-N -1 0 329.440 3.960 20 0 EHADRM Cc1ccc(CN(C)C(=O)CCc2ccc(C(=O)[O-])cc2)cc1C ZINC000630302897 975240181 /nfs/dbraw/zinc/24/01/81/975240181.db2.gz KSMRMYRFQJXQHD-UHFFFAOYSA-N -1 0 325.408 3.593 20 0 EHADRM Cc1cc(CNC(=O)[C@H]2CCC[C@@H]2Cc2ccccc2)oc1C(=O)[O-] ZINC000630330021 975258063 /nfs/dbraw/zinc/25/80/63/975258063.db2.gz IRKXQOBNDHFGPZ-WBVHZDCISA-N -1 0 341.407 3.561 20 0 EHADRM C[C@H]1CN(C(=O)Nc2ccc3c(c2)C=CCCC3)CC[C@H]1C(=O)[O-] ZINC000630568010 975268461 /nfs/dbraw/zinc/26/84/61/975268461.db2.gz FSBUSIXHSPKQFS-SUMWQHHRSA-N -1 0 328.412 3.611 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)C2CC(c3ccc(F)cc3)C2)cc1F ZINC000634804940 975276998 /nfs/dbraw/zinc/27/69/98/975276998.db2.gz YMTZYWIPAQRFAD-UHFFFAOYSA-N -1 0 345.345 3.724 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000634829315 975277820 /nfs/dbraw/zinc/27/78/20/975277820.db2.gz SXVMYCHNBIURKV-SECBINFHSA-N -1 0 329.343 3.582 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000634836662 975278126 /nfs/dbraw/zinc/27/81/26/975278126.db2.gz LHGWHQADZZJXSP-KGLIPLIRSA-N -1 0 342.395 3.552 20 0 EHADRM Cc1ccc([C@H](NC(=O)CC2(CC(=O)[O-])CCCC2)C(F)(F)F)o1 ZINC000634926695 975281542 /nfs/dbraw/zinc/28/15/42/975281542.db2.gz ZHZWIEJRZDJBJU-AWEZNQCLSA-N -1 0 347.333 3.733 20 0 EHADRM CC(C)(CCNC(=O)c1cc2c(cccc2Cl)s1)C(=O)[O-] ZINC000643863367 975319261 /nfs/dbraw/zinc/31/92/61/975319261.db2.gz VNCVVROUBCLTAT-UHFFFAOYSA-N -1 0 325.817 3.785 20 0 EHADRM Cc1cccc2c(C(=O)N3CCC[C@H](C(C)(C)C(=O)[O-])C3)coc21 ZINC000644874822 975327674 /nfs/dbraw/zinc/32/76/74/975327674.db2.gz MOASFTBYCAIJIR-ZDUSSCGKSA-N -1 0 329.396 3.704 20 0 EHADRM Cc1ccc(C2CC2)c(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000644874961 975327727 /nfs/dbraw/zinc/32/77/27/975327727.db2.gz WFGYPVWNLAOGCY-HNNXBMFYSA-N -1 0 329.440 3.835 20 0 EHADRM Cc1c2ccc3ccccc3c2oc1C(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC000648354756 975383184 /nfs/dbraw/zinc/38/31/84/975383184.db2.gz ZDMHITFPQKFTEI-CVEARBPZSA-N -1 0 337.375 3.878 20 0 EHADRM CC[C@@H](CNC(=O)c1ccccc1SCc1cccs1)C(=O)[O-] ZINC000649260979 975404498 /nfs/dbraw/zinc/40/44/98/975404498.db2.gz YQEHOWVTQKKYPV-LBPRGKRZSA-N -1 0 349.477 3.881 20 0 EHADRM Cc1occc1CN(C)c1nc(C)nc2sc(C(=O)[O-])c(C)c21 ZINC000649386908 975411048 /nfs/dbraw/zinc/41/10/48/975411048.db2.gz QILSPEQHNOWUNA-UHFFFAOYSA-N -1 0 331.397 3.544 20 0 EHADRM Cc1c(NC(=O)NC2(CC(=O)[O-])CCC2)cccc1C(F)(F)F ZINC000649541080 975425780 /nfs/dbraw/zinc/42/57/80/975425780.db2.gz PURYPDNAMIYWTM-UHFFFAOYSA-N -1 0 330.306 3.533 20 0 EHADRM CC(C)Nc1nnc(S[C@H](C(=O)[O-])c2ccc(Cl)cc2)s1 ZINC001591672051 975432797 /nfs/dbraw/zinc/43/27/97/975432797.db2.gz JZFBCWZICVLNJY-JTQLQIEISA-N -1 0 343.861 3.930 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c2n[nH]cc21 ZINC000460834177 1032089640 /nfs/dbraw/zinc/08/96/40/1032089640.db2.gz GHJHDZJPRAEZFZ-UHFFFAOYSA-N -1 0 329.425 3.796 20 0 EHADRM CC(C)OC(=O)c1ccc(CSCc2cccc(C(=O)[O-])n2)cc1 ZINC001591685941 975488691 /nfs/dbraw/zinc/48/86/91/975488691.db2.gz TZMOOWYLKAQDBV-UHFFFAOYSA-N -1 0 345.420 3.778 20 0 EHADRM Cc1c2cc(F)ccc2sc1C(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC000652100599 975496392 /nfs/dbraw/zinc/49/63/92/975496392.db2.gz LUUYSVBHRAOWOQ-NSHDSACASA-N -1 0 335.400 3.580 20 0 EHADRM CC(C)O[C@H]1C[C@@H](Nc2cc(C(=O)[O-])cc3cccnc32)C1(C)C ZINC001591695149 975517518 /nfs/dbraw/zinc/51/75/18/975517518.db2.gz BGPLIMGLARXVKF-CVEARBPZSA-N -1 0 328.412 3.937 20 0 EHADRM O=C([O-])[C@H](CC1CC1)NCc1oc2ccccc2c1Br ZINC000653504447 975596908 /nfs/dbraw/zinc/59/69/08/975596908.db2.gz VOAMHPUKAKVIFE-NSHDSACASA-N -1 0 338.201 3.538 20 0 EHADRM CC[C@@H](NC(=O)c1cccc(CC(=O)[O-])c1)C(C)(C)c1ccccc1 ZINC000653641566 975609070 /nfs/dbraw/zinc/60/90/70/975609070.db2.gz PUGPJHXDAVVBDH-GOSISDBHSA-N -1 0 339.435 3.800 20 0 EHADRM Cc1ccc(CN(C(=O)c2cccc(CC(=O)[O-])c2)C2CC2)cc1C ZINC000653641692 975609173 /nfs/dbraw/zinc/60/91/73/975609173.db2.gz SCHLFUINDRGFQU-UHFFFAOYSA-N -1 0 337.419 3.735 20 0 EHADRM O=C([O-])Cc1cccc(C(=O)N[C@@H](CC2CCC2)c2ccccc2)c1 ZINC000653643872 975612499 /nfs/dbraw/zinc/61/24/99/975612499.db2.gz WZQUPKUOEPSJAX-IBGZPJMESA-N -1 0 337.419 3.975 20 0 EHADRM CC(C)OC[C@H](OC(=O)c1ccc(C(=O)[O-])cc1)c1cccc(F)c1 ZINC001591717771 975623284 /nfs/dbraw/zinc/62/32/84/975623284.db2.gz KHVVWTQVQPLNLY-KRWDZBQOSA-N -1 0 346.354 3.847 20 0 EHADRM Cc1c(NC(=O)c2cccc3c2OCC3(C)C)cccc1C(=O)[O-] ZINC000656233678 975649138 /nfs/dbraw/zinc/64/91/38/975649138.db2.gz GYMLBNHPEWATOM-UHFFFAOYSA-N -1 0 325.364 3.616 20 0 EHADRM O=C([O-])[C@@H](CNC(=O)CCc1c(Cl)cccc1Cl)CC1CC1 ZINC000656244335 975655088 /nfs/dbraw/zinc/65/50/88/975655088.db2.gz IGTCMWWLOLKMIO-LLVKDONJSA-N -1 0 344.238 3.543 20 0 EHADRM CCCOc1ccc(CN[C@@H](C)c2ncc(C(=O)[O-])s2)c(C)c1 ZINC000656567254 975664267 /nfs/dbraw/zinc/66/42/67/975664267.db2.gz IWFKFYMWDAVMPO-LBPRGKRZSA-N -1 0 334.441 3.789 20 0 EHADRM O=C([O-])[C@@H](c1cccnc1)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000656759221 975685814 /nfs/dbraw/zinc/68/58/14/975685814.db2.gz YFEQEAIIRHSIPC-OAHLLOKOSA-N -1 0 337.206 3.572 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(c2nc3cccc(F)c3s2)C1 ZINC000656782683 975705533 /nfs/dbraw/zinc/70/55/33/975705533.db2.gz VQCGLXASHPHWCG-SFYZADRCSA-N -1 0 348.321 3.525 20 0 EHADRM O=C([O-])c1ccc(NC(CCC(F)(F)F)CCC(F)(F)F)nn1 ZINC000656785372 975706557 /nfs/dbraw/zinc/70/65/57/975706557.db2.gz WSBGRQHQPDARRL-UHFFFAOYSA-N -1 0 345.243 3.640 20 0 EHADRM CC(C)OCc1ccc(NCc2ccccc2OCC(=O)[O-])cc1 ZINC001591734297 975715431 /nfs/dbraw/zinc/71/54/31/975715431.db2.gz CYNAPMGIMPXIEM-UHFFFAOYSA-N -1 0 329.396 3.687 20 0 EHADRM CC(C)Oc1ccc([C@H](C)NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)cc1 ZINC000659119070 975715918 /nfs/dbraw/zinc/71/59/18/975715918.db2.gz BWYPHXLETGXSSE-AWEZNQCLSA-N -1 0 345.439 3.686 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000659122221 975721908 /nfs/dbraw/zinc/72/19/08/975721908.db2.gz PWTHZKYBMVMDFM-MRXNPFEDSA-N -1 0 331.343 3.697 20 0 EHADRM CC(C)OCc1cccc(NC(=O)NCC2(CC(=O)[O-])CCCC2)c1 ZINC001591735191 975723054 /nfs/dbraw/zinc/72/30/54/975723054.db2.gz OGEMTBGCQSZAKM-UHFFFAOYSA-N -1 0 348.443 3.768 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000659129266 975728225 /nfs/dbraw/zinc/72/82/25/975728225.db2.gz KDDYELLMZJCVPT-FDPIWHGQSA-N -1 0 337.419 3.677 20 0 EHADRM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]2Cc2ccccc2)C1 ZINC000659142395 975741917 /nfs/dbraw/zinc/74/19/17/975741917.db2.gz OHLXRJYCTSILJB-FHWLQOOXSA-N -1 0 343.467 3.749 20 0 EHADRM C[C@H](Cc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)O3)cc1)C(=O)[O-] ZINC000659145656 975745379 /nfs/dbraw/zinc/74/53/79/975745379.db2.gz CRBJCSGDBDPJMR-OLZOCXBDSA-N -1 0 339.391 3.526 20 0 EHADRM CCOc1ccccc1[C@H](CC)NC(=O)c1cc(C(=O)[O-])oc1C ZINC000659154770 975753813 /nfs/dbraw/zinc/75/38/13/975753813.db2.gz VEQNBZVYQWGSPI-AWEZNQCLSA-N -1 0 331.368 3.566 20 0 EHADRM CC(C)Oc1c(NC(=O)N(C)[C@@H](C)c2ccco2)cccc1C(=O)[O-] ZINC001591741768 975758193 /nfs/dbraw/zinc/75/81/93/975758193.db2.gz QEDLXAXDVMGMKO-LBPRGKRZSA-N -1 0 346.383 3.990 20 0 EHADRM C[C@@H](C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21)c1cccs1 ZINC000659182314 975776778 /nfs/dbraw/zinc/77/67/78/975776778.db2.gz LJPVMCBYZRJRGI-IUODEOHRSA-N -1 0 343.448 3.786 20 0 EHADRM CC(C)Oc1c(NC(=O)c2coc(C(C)(C)C)n2)cccc1C(=O)[O-] ZINC001591746129 975778430 /nfs/dbraw/zinc/77/84/30/975778430.db2.gz CNWUSMFFYKTZCX-UHFFFAOYSA-N -1 0 346.383 3.710 20 0 EHADRM CSc1ccc(C)c(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)c1 ZINC000659190949 975787917 /nfs/dbraw/zinc/78/79/17/975787917.db2.gz BZJCAIXFFSXHBF-HLLBOEOZSA-N -1 0 347.480 3.822 20 0 EHADRM CC(C)Oc1c(NC(=O)NC[C@H]2CCCC23CC3)cccc1C(=O)[O-] ZINC001591747615 975794753 /nfs/dbraw/zinc/79/47/53/975794753.db2.gz UJNGFHLCQJUTPS-CYBMUJFWSA-N -1 0 346.427 3.874 20 0 EHADRM O=C([O-])C[C@@H](CNC(=O)c1ccccc1Cc1ccccc1)C1CC1 ZINC000659204630 975813366 /nfs/dbraw/zinc/81/33/66/975813366.db2.gz ODUIEMSBIGUTNK-SFHVURJKSA-N -1 0 337.419 3.508 20 0 EHADRM C[C@H](CC(=O)N[C@@](C)(CCF)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000659217049 975827781 /nfs/dbraw/zinc/82/77/81/975827781.db2.gz WWVGPCSNWFJQQD-BMIGLBTASA-N -1 0 349.324 3.518 20 0 EHADRM CC(C)Oc1ccc(-c2noc(-c3ccc(C(=O)[O-])s3)n2)cc1 ZINC001591757186 975833396 /nfs/dbraw/zinc/83/33/96/975833396.db2.gz VWNLSIUFKJRUKE-UHFFFAOYSA-N -1 0 330.365 3.951 20 0 EHADRM CC(C)(CC(=O)NCc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000659226142 975837862 /nfs/dbraw/zinc/83/78/62/975837862.db2.gz VQBXIMGXWPNJAG-UHFFFAOYSA-N -1 0 329.371 3.508 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)NC2CCC(C3CCC3)CC2)CC1 ZINC000659418430 975850457 /nfs/dbraw/zinc/85/04/57/975850457.db2.gz OBEZMXDIBADLFU-UHFFFAOYSA-N -1 0 336.476 3.632 20 0 EHADRM CCCN(CC(F)F)[C@H](C(=O)[O-])c1ccccc1Br ZINC000659786900 975873702 /nfs/dbraw/zinc/87/37/02/975873702.db2.gz NRQYHKJFQRXVBH-LBPRGKRZSA-N -1 0 336.176 3.552 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000663054233 975921235 /nfs/dbraw/zinc/92/12/35/975921235.db2.gz JKLOQYUNMWSICW-OKZBNKHCSA-N -1 0 335.403 3.704 20 0 EHADRM CC(C)Oc1ccc(F)cc1NC(=O)NC1(CC(=O)[O-])CCCC1 ZINC001591778061 975936914 /nfs/dbraw/zinc/93/69/14/975936914.db2.gz LAKVWYGSLYHADH-UHFFFAOYSA-N -1 0 338.379 3.522 20 0 EHADRM CC(C)Oc1ccc(NC(=O)[C@H](C)CC(F)(F)F)c(C(=O)[O-])c1 ZINC001591788179 975968783 /nfs/dbraw/zinc/96/87/83/975968783.db2.gz RKSOSQAQDMSKFX-SECBINFHSA-N -1 0 333.306 3.699 20 0 EHADRM Cc1cc(NC(=O)c2ccc([C@H]3CCCOC3)cc2)ccc1C(=O)[O-] ZINC000668274478 975980613 /nfs/dbraw/zinc/98/06/13/975980613.db2.gz DJJXQUYXHWFFRZ-INIZCTEOSA-N -1 0 339.391 3.840 20 0 EHADRM Cc1ccc(NC(=O)c2ccc([C@@H]3CCCOC3)cc2)cc1C(=O)[O-] ZINC000668277223 975982418 /nfs/dbraw/zinc/98/24/18/975982418.db2.gz BRQDRROIDAHBFE-MRXNPFEDSA-N -1 0 339.391 3.840 20 0 EHADRM CC(C)(CCNC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1)C(=O)[O-] ZINC000668288953 975986821 /nfs/dbraw/zinc/98/68/21/975986821.db2.gz KUKLKZKLONWMRK-UHFFFAOYSA-N -1 0 345.361 3.757 20 0 EHADRM O=C([O-])Cc1ccc(NC(=O)Cc2cccc(C3CC3)c2)cc1F ZINC000668292874 975988004 /nfs/dbraw/zinc/98/80/04/975988004.db2.gz QLLBVLIWPQTELB-UHFFFAOYSA-N -1 0 327.355 3.511 20 0 EHADRM CC1(C)C[C@@]1(NC(=O)CCc1ccccc1C(=O)[O-])c1ccccc1 ZINC000668296700 975990070 /nfs/dbraw/zinc/99/00/70/975990070.db2.gz VVLRABCHBOSPPA-OAQYLSRUSA-N -1 0 337.419 3.759 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(OC(F)(F)F)cc1Cl ZINC000668297375 975990179 /nfs/dbraw/zinc/99/01/79/975990179.db2.gz PCALLMJRMPPWGG-ZETCQYMHSA-N -1 0 339.697 3.678 20 0 EHADRM Cc1ccc([C@@H]2CCN(C(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)C2)c(C)c1 ZINC000668322454 975997065 /nfs/dbraw/zinc/99/70/65/975997065.db2.gz WGKBAQUFTBMPJD-BRWVUGGUSA-N -1 0 329.440 3.510 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000668322099 975997880 /nfs/dbraw/zinc/99/78/80/975997880.db2.gz KYOJAMBTGPPCNJ-CQSZACIVSA-N -1 0 327.380 3.533 20 0 EHADRM CC(C)Oc1ccccc1CC(=O)O[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001591801172 976015475 /nfs/dbraw/zinc/01/54/75/976015475.db2.gz KINFMRWCXWFCSD-LBPRGKRZSA-N -1 0 332.352 3.612 20 0 EHADRM CC(C)Oc1ccccc1CC(=O)Nc1c(F)ccc(F)c1C(=O)[O-] ZINC001591801993 976022044 /nfs/dbraw/zinc/02/20/44/976022044.db2.gz ZUJBEPXKAYKFSI-UHFFFAOYSA-N -1 0 349.333 3.631 20 0 EHADRM CC(C)(C)[C@H](NC(=O)CCCc1csc2ccccc12)C(=O)[O-] ZINC000678978886 976033152 /nfs/dbraw/zinc/03/31/52/976033152.db2.gz MSZNZVDYJXUVCV-MRXNPFEDSA-N -1 0 333.453 3.840 20 0 EHADRM C[C@H](NC(=O)CCc1ccccc1C(=O)[O-])c1cc2ccccc2o1 ZINC000679094698 976039345 /nfs/dbraw/zinc/03/93/45/976039345.db2.gz ZYVYQYLZWXNSLI-ZDUSSCGKSA-N -1 0 337.375 3.941 20 0 EHADRM CC[C@H](CC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC000679102071 976043743 /nfs/dbraw/zinc/04/37/43/976043743.db2.gz TXLKPMXKPHFFKF-NVXWUHKLSA-N -1 0 331.456 3.920 20 0 EHADRM Cc1cc(C)cc(C2(C(=O)N3CCC[C@@H](C(C)(C)C(=O)[O-])C3)CC2)c1 ZINC000679103208 976044102 /nfs/dbraw/zinc/04/41/02/976044102.db2.gz BCYZPMKKKCSWCD-MRXNPFEDSA-N -1 0 343.467 3.684 20 0 EHADRM Cc1ccc(-c2nc(C(=O)N3CCCC[C@@H]3CC(=O)[O-])cs2)cc1 ZINC000679397694 976050650 /nfs/dbraw/zinc/05/06/50/976050650.db2.gz QRYWJHDDLZSMEV-CQSZACIVSA-N -1 0 344.436 3.588 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])[C@H]1COC[C@@H]1c1ccccc1 ZINC001625779030 1014303199 /nfs/dbraw/zinc/30/31/99/1014303199.db2.gz HLVFKCQNVPGDQV-OLZOCXBDSA-N -1 0 335.762 3.553 20 0 EHADRM Cc1nc(-c2ccccc2)sc1C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000679401246 976051694 /nfs/dbraw/zinc/05/16/94/976051694.db2.gz WQIIJLHGYQNWBN-AWEZNQCLSA-N -1 0 344.436 3.588 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1cccs1 ZINC000683298653 976082211 /nfs/dbraw/zinc/08/22/11/976082211.db2.gz GZBJYLWMFOJPKG-XQLPTFJDSA-N -1 0 335.469 3.987 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)NCC2(C(=O)[O-])CCCC2)cc1 ZINC000683315521 976085808 /nfs/dbraw/zinc/08/58/08/976085808.db2.gz AOHXUUVZDVIFRZ-WAYWQWQTSA-N -1 0 329.440 3.975 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCCC[C@H]2CCc2ccccc2)C1 ZINC000683335189 976089684 /nfs/dbraw/zinc/08/96/84/976089684.db2.gz IXKYNIRLVRAJAG-OTWHNJEPSA-N -1 0 343.467 3.891 20 0 EHADRM CC(C)[C@H](NC(=O)CSC1CCC(c2ccccc2)CC1)C(=O)[O-] ZINC001591883938 976244237 /nfs/dbraw/zinc/24/42/37/976244237.db2.gz VEVVMPDPOSBDRX-HTWSVDAQSA-N -1 0 349.496 3.671 20 0 EHADRM CC(C)c1cc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)on1 ZINC001591931288 976436334 /nfs/dbraw/zinc/43/63/34/976436334.db2.gz XHTUVTYDDFKVPV-UHFFFAOYSA-N -1 0 326.711 3.541 20 0 EHADRM CC(C)c1cc(NCc2ccccc2CC(=O)[O-])nc(C(C)C)n1 ZINC001591935891 976455426 /nfs/dbraw/zinc/45/54/26/976455426.db2.gz JWQOVWMSKIFWTG-UHFFFAOYSA-N -1 0 327.428 3.963 20 0 EHADRM CC(C)c1cc(NCc2cc(C(=O)[O-])n(C)c2)n(-c2ccccc2)n1 ZINC001591936177 976458125 /nfs/dbraw/zinc/45/81/25/976458125.db2.gz RXGWSZQWUVRIJF-UHFFFAOYSA-N -1 0 338.411 3.645 20 0 EHADRM CC(C)c1ccc(NC(=O)C[C@H]2CC[C@H](C3CC3)O2)c(C(=O)[O-])c1 ZINC001591963343 976554019 /nfs/dbraw/zinc/55/40/19/976554019.db2.gz ZTPAZNBOERXFTB-RHSMWYFYSA-N -1 0 331.412 3.794 20 0 EHADRM CC(C)c1ccc(OCCC(=O)N[C@H](C(=O)[O-])c2cccs2)cc1 ZINC001591973617 976579202 /nfs/dbraw/zinc/57/92/02/976579202.db2.gz DSLINSZKGYRAQU-KRWDZBQOSA-N -1 0 347.436 3.583 20 0 EHADRM CC(C)c1ccc(SCC(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])cc1 ZINC001591973707 976580500 /nfs/dbraw/zinc/58/05/00/976580500.db2.gz HZJDFLJEMKTMSC-HNNXBMFYSA-N -1 0 337.485 3.908 20 0 EHADRM CC(C)c1cccc(C(=O)N[C@@H](CC(=O)[O-])Cc2ccccc2)c1 ZINC001591983921 976605521 /nfs/dbraw/zinc/60/55/21/976605521.db2.gz UZVVJNRIZHQECQ-GOSISDBHSA-N -1 0 325.408 3.626 20 0 EHADRM CC(C)c1cccc(CC(=O)Nc2cc(F)cc(C(=O)[O-])c2F)c1 ZINC001591987872 976614001 /nfs/dbraw/zinc/61/40/01/976614001.db2.gz UCDXYFFOQXPEGI-UHFFFAOYSA-N -1 0 333.334 3.968 20 0 EHADRM CC(C)c1ccoc1C(=O)N[C@@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC001592003325 976661562 /nfs/dbraw/zinc/66/15/62/976661562.db2.gz QSTCOTGRABNRBX-SFHVURJKSA-N -1 0 333.359 3.662 20 0 EHADRM CC(C)c1nc(C(=O)OCc2cccc(C(=O)[O-])c2Cl)cs1 ZINC001592011705 976688941 /nfs/dbraw/zinc/68/89/41/976688941.db2.gz OVIDUGKBOCFFGZ-UHFFFAOYSA-N -1 0 339.800 3.975 20 0 EHADRM O=C([O-])c1cc(NC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)ccc1Br ZINC000694341188 976692082 /nfs/dbraw/zinc/69/20/82/976692082.db2.gz ANZGIABLYXEYCD-IEBDPFPHSA-N -1 0 338.201 3.522 20 0 EHADRM CC(C)c1nc(NC(=O)Cc2c[nH]c3ccccc23)sc1C(=O)[O-] ZINC001592028430 976727044 /nfs/dbraw/zinc/72/70/44/976727044.db2.gz HWHPCCTWIIDWMZ-UHFFFAOYSA-N -1 0 343.408 3.627 20 0 EHADRM CC(C)c1nccn1CC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001592039487 976760735 /nfs/dbraw/zinc/76/07/35/976760735.db2.gz KDWDOGGOJRTKMU-UHFFFAOYSA-N -1 0 343.408 3.558 20 0 EHADRM CC(C)c1ncsc1C(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC001592042770 976772282 /nfs/dbraw/zinc/77/22/82/976772282.db2.gz UIYPYRNHXYWHOT-UHFFFAOYSA-N -1 0 337.422 3.662 20 0 EHADRM CC(C)n1c(S[C@@H](C(=O)[O-])C(C)(C)C)nc2ccccc2c1=O ZINC001592121321 976927864 /nfs/dbraw/zinc/92/78/64/976927864.db2.gz NUTBWMQUZQWRBT-ZDUSSCGKSA-N -1 0 334.441 3.569 20 0 EHADRM CC(C)n1c(=O)c2ccccc2nc1S[C@H](CC(C)(C)C)C(=O)[O-] ZINC001592121576 976930887 /nfs/dbraw/zinc/93/08/87/976930887.db2.gz WDFSIEKGELRBDI-CQSZACIVSA-N -1 0 348.468 3.959 20 0 EHADRM C[C@H](/C=C\C(=O)[O-])NC(=O)[C@@H]1CCC(C)(C)C[C@@H]1c1ccccc1 ZINC001592189661 977121052 /nfs/dbraw/zinc/12/10/52/977121052.db2.gz AWTSDOINZWKPKE-DLSSURTRSA-N -1 0 329.440 3.742 20 0 EHADRM C[C@H](/C=C/C(=O)[O-])NC(=O)C1(c2cccc(Cl)c2)CCCCC1 ZINC001592195217 977176623 /nfs/dbraw/zinc/17/66/23/977176623.db2.gz SFACOXHUBUTHLC-MMQHEFTJSA-N -1 0 335.831 3.687 20 0 EHADRM C[C@H](CC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21)c1c[nH]c2ccccc21 ZINC001592228174 977428957 /nfs/dbraw/zinc/42/89/57/977428957.db2.gz ZSOYFSMSSZWPTQ-CXAGYDPISA-N -1 0 348.402 3.877 20 0 EHADRM C[C@H](CC(=O)N1CCCc2nc(C(=O)[O-])ccc21)C1CCCCC1 ZINC001592236422 977445494 /nfs/dbraw/zinc/44/54/94/977445494.db2.gz PMEJFCOYPNEVLR-CYBMUJFWSA-N -1 0 330.428 3.666 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1cccs1)c1c[nH]c2ccccc21 ZINC001592240009 977451104 /nfs/dbraw/zinc/45/11/04/977451104.db2.gz JVKHGJLJWFQPOO-APPDUMDISA-N -1 0 342.420 3.665 20 0 EHADRM C[C@H](CC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1c[nH]c2ccccc21 ZINC001592240327 977453250 /nfs/dbraw/zinc/45/32/50/977453250.db2.gz NWXDNVMPWBWZTO-CYBMUJFWSA-N -1 0 348.402 3.902 20 0 EHADRM C[C@H](CC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC001592258882 977497661 /nfs/dbraw/zinc/49/76/61/977497661.db2.gz KSXJCQUNUWJKIN-DUVNUKRYSA-N -1 0 337.847 3.668 20 0 EHADRM C[C@H](CC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1)C(F)(F)F ZINC001592262150 977506684 /nfs/dbraw/zinc/50/66/84/977506684.db2.gz PZQMDJNNPVIKBJ-RXMQYKEDSA-N -1 0 327.661 3.704 20 0 EHADRM C[C@H](CC(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1)C(F)(F)F ZINC001592277618 977555603 /nfs/dbraw/zinc/55/56/03/977555603.db2.gz FMJGGJCKJJCNQI-ZCFIWIBFSA-N -1 0 338.351 3.666 20 0 EHADRM CC(C)(CC(=O)N[C@](C)(CC(=O)[O-])c1ccccn1)C1CCCCC1 ZINC001592280286 977568324 /nfs/dbraw/zinc/56/83/24/977568324.db2.gz DCJBFWOASWMJDX-HXUWFJFHSA-N -1 0 346.471 3.884 20 0 EHADRM C[C@@](CC(=O)[O-])(NC(=O)Cc1ccccc1Cl)c1cccc(F)c1 ZINC001592290765 977616674 /nfs/dbraw/zinc/61/66/74/977616674.db2.gz UGDCHJZYFPPPJC-SFHVURJKSA-N -1 0 349.789 3.528 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC001592351215 977824057 /nfs/dbraw/zinc/82/40/57/977824057.db2.gz FBLFQXOTVXKFEZ-SNVBAGLBSA-N -1 0 344.238 3.642 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)Nc1ccc2[nH]c(CC3CCCCC3)nc2c1 ZINC001592361865 977851808 /nfs/dbraw/zinc/85/18/08/977851808.db2.gz HQVWGPKUYOHOLV-GFCCVEGCSA-N -1 0 343.427 3.735 20 0 EHADRM C[C@@H](CC(=O)[O-])CC(=O)N(Cc1ccccc1F)c1ccccc1 ZINC001592371293 977892252 /nfs/dbraw/zinc/89/22/52/977892252.db2.gz QXLOXDGMWWODSU-CQSZACIVSA-N -1 0 329.371 3.860 20 0 EHADRM C[C@@H](CC(=O)[O-])c1nc([C@H](F)c2ccc(C(F)(F)F)cc2)no1 ZINC001592425029 978048799 /nfs/dbraw/zinc/04/87/99/978048799.db2.gz ZVSCJADVJLVJQK-WRWORJQWSA-N -1 0 332.253 3.726 20 0 EHADRM C[C@H](CC1CCC1)NC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001592460643 978184627 /nfs/dbraw/zinc/18/46/27/978184627.db2.gz XFKRTUPSZPEWOM-CZUORRHYSA-N -1 0 332.444 3.716 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)N1C[C@H](C(=O)[O-])Oc2cc(F)ccc21 ZINC001592465289 978205905 /nfs/dbraw/zinc/20/59/05/978205905.db2.gz CUOQOMDANJWCPM-SJKOYZFVSA-N -1 0 349.402 3.611 20 0 EHADRM C[C@@H](CCNC(=O)NCCc1ccccc1C(=O)[O-])CC(C)(C)C ZINC001592512657 978337101 /nfs/dbraw/zinc/33/71/01/978337101.db2.gz AZZJHAUQTYNDCE-AWEZNQCLSA-N -1 0 334.460 3.689 20 0 EHADRM CC[C@@H](NC(=S)Nc1ccc(CC(=O)[O-])cc1)c1cccs1 ZINC000736919866 978366386 /nfs/dbraw/zinc/36/63/86/978366386.db2.gz KZVRGSFQPYMHQQ-CYBMUJFWSA-N -1 0 334.466 3.813 20 0 EHADRM C[C@H](CCNC(=O)Nc1cccc(OCC(=O)[O-])c1)CC(C)(C)C ZINC001592521774 978376900 /nfs/dbraw/zinc/37/69/00/978376900.db2.gz RHDYZDGKIGJALE-CYBMUJFWSA-N -1 0 336.432 3.734 20 0 EHADRM CCOc1ccc(NC(=S)Nc2cc(C)c(C(=O)[O-])s2)cc1 ZINC000737204464 978389127 /nfs/dbraw/zinc/38/91/27/978389127.db2.gz YWFALYLSBQSUFX-UHFFFAOYSA-N -1 0 336.438 3.962 20 0 EHADRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)C=C1CCC(C)CC1 ZINC000737873814 978452412 /nfs/dbraw/zinc/45/24/12/978452412.db2.gz SGXNKRIGWXAETD-YTSBNYKBSA-N -1 0 330.380 3.835 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)CCCOCCc1ccccc1 ZINC000739231234 978622044 /nfs/dbraw/zinc/62/20/44/978622044.db2.gz CRMNQRWRSJYABT-UHFFFAOYSA-N -1 0 345.370 3.502 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)/C=C(\C)c1cccc(C(F)(F)F)c1 ZINC000746692875 978685656 /nfs/dbraw/zinc/68/56/56/978685656.db2.gz DVKPZRRFBBLCQR-JATZPVMKSA-N -1 0 343.345 3.820 20 0 EHADRM CCCC[C@H](NC(=O)/C=C/c1cccc(OC2CCCC2)c1)C(=O)[O-] ZINC000753912677 978694676 /nfs/dbraw/zinc/69/46/76/978694676.db2.gz CPQFVBVIBANXPI-HHNLSAEISA-N -1 0 345.439 3.781 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000761745775 978715150 /nfs/dbraw/zinc/71/51/50/978715150.db2.gz LHLKDTPNQMMRPO-SNVBAGLBSA-N -1 0 335.762 3.995 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1scnc1Cl ZINC000766941846 978730099 /nfs/dbraw/zinc/73/00/99/978730099.db2.gz OOOOOSWCPSHQGI-UHFFFAOYSA-N -1 0 340.788 3.534 20 0 EHADRM Cc1ccc(/C=C\S(=O)(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC000776502211 978750698 /nfs/dbraw/zinc/75/06/98/978750698.db2.gz AEFMLXUVYNVSIV-HJWRWDBZSA-N -1 0 345.420 3.723 20 0 EHADRM CCCC(O)(CCC)CC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000776641017 978764543 /nfs/dbraw/zinc/76/45/43/978764543.db2.gz OSLAKBNHOADAKS-UHFFFAOYSA-N -1 0 327.808 3.698 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)NCc1cc2c(s1)CCCC2 ZINC000777364025 978776956 /nfs/dbraw/zinc/77/69/56/978776956.db2.gz XCRPPKBFOCYKTJ-UHFFFAOYSA-N -1 0 343.448 3.574 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N(Cc2ccccc2F)C2CC2)c1 ZINC000811813518 978856751 /nfs/dbraw/zinc/85/67/51/978856751.db2.gz APLVHHCFIXTKGW-UHFFFAOYSA-N -1 0 347.773 3.982 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)[C@@H](C)c1ccccc1 ZINC000827671571 978963414 /nfs/dbraw/zinc/96/34/14/978963414.db2.gz IJEVZYSDHSTPMD-VXGBXAGGSA-N -1 0 330.359 3.838 20 0 EHADRM O=C([O-])Cc1occc1C(=O)NC1(c2cccc(Cl)c2)CCCC1 ZINC000828531054 978985181 /nfs/dbraw/zinc/98/51/81/978985181.db2.gz GDEKHCXOKWFELJ-UHFFFAOYSA-N -1 0 347.798 3.759 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000829005321 978991551 /nfs/dbraw/zinc/99/15/51/978991551.db2.gz YTHIBTRRJISGOJ-RANZSIQMSA-N -1 0 347.455 3.645 20 0 EHADRM COc1ccccc1CN(C/C=C(/C)C(=O)[O-])Cc1cccs1 ZINC000832614288 979047646 /nfs/dbraw/zinc/04/76/46/979047646.db2.gz YQBDTZLGGKMXAS-ZROIWOOFSA-N -1 0 331.437 3.790 20 0 EHADRM CC[C@H](C)c1ccccc1OS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC001595015938 979068190 /nfs/dbraw/zinc/06/81/90/979068190.db2.gz PNUPNEYWKNBSPJ-LBPRGKRZSA-N -1 0 348.420 3.974 20 0 EHADRM CC[C@H](C)n1nc(C(=O)Oc2ccc(SCC(=O)[O-])cc2)cc1C ZINC001595022204 979102433 /nfs/dbraw/zinc/10/24/33/979102433.db2.gz ICALLPDFZJXUEU-NSHDSACASA-N -1 0 348.424 3.558 20 0 EHADRM O=C([O-])c1cccc(C(=O)OCC2CCC(c3ccccc3)CC2)n1 ZINC000833328295 979160384 /nfs/dbraw/zinc/16/03/84/979160384.db2.gz AISSKEHDZHCBMS-UHFFFAOYSA-N -1 0 339.391 3.911 20 0 EHADRM CC[C@H](CC(=O)N[C@@H](C)[C@@H](Cc1ccccc1)C(=O)[O-])C(C)(C)C ZINC001595034139 979181266 /nfs/dbraw/zinc/18/12/66/979181266.db2.gz ZWQDLLWDABZOGH-USXIJHARSA-N -1 0 333.472 3.897 20 0 EHADRM CC[C@H](CC(C)C)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC001595036275 979192542 /nfs/dbraw/zinc/19/25/42/979192542.db2.gz QWSFJEWUYSOJJI-SNVBAGLBSA-N -1 0 329.343 3.997 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC000836755421 979262267 /nfs/dbraw/zinc/26/22/67/979262267.db2.gz YXOZDLPBKQTHBU-BXUZGUMPSA-N -1 0 347.436 3.621 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC001595051393 979283691 /nfs/dbraw/zinc/28/36/91/979283691.db2.gz YSDYTEUNPSYVBZ-ARFHVFGLSA-N -1 0 341.492 3.614 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCc2ccoc2)ccc1N1CCCCC1 ZINC000841503748 979307083 /nfs/dbraw/zinc/30/70/83/979307083.db2.gz XDOBGGIKSRMTRP-UHFFFAOYSA-N -1 0 342.395 3.539 20 0 EHADRM CCC(CC)(NC(=O)c1cc(-n2cccc2)ccc1Cl)C(=O)[O-] ZINC001595098162 979400784 /nfs/dbraw/zinc/40/07/84/979400784.db2.gz NPFINHLUENUNCN-UHFFFAOYSA-N -1 0 334.803 3.504 20 0 EHADRM O=C([O-])Cc1ccccc1CN(Cc1c(F)cccc1F)C1CC1 ZINC000846255698 979428164 /nfs/dbraw/zinc/42/81/64/979428164.db2.gz QFXPTKYYXSDGJX-UHFFFAOYSA-N -1 0 331.362 3.757 20 0 EHADRM CCC(CC)N(C(=O)c1cncc(C(=O)[O-])c1)c1cccc(C)c1 ZINC001595114640 979466495 /nfs/dbraw/zinc/46/64/95/979466495.db2.gz VCTBNTDZRFJORE-UHFFFAOYSA-N -1 0 326.396 3.924 20 0 EHADRM CCc1cc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)sc1-c1ccccc1 ZINC000848875354 979479483 /nfs/dbraw/zinc/47/94/83/979479483.db2.gz FJPWCCBVJWJUHN-SFHVURJKSA-N -1 0 347.411 3.616 20 0 EHADRM CCc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)sc1-c1ccccc1 ZINC000848878910 979484393 /nfs/dbraw/zinc/48/43/93/979484393.db2.gz MYMLFVOEHMOGQQ-WFASDCNBSA-N -1 0 343.448 3.913 20 0 EHADRM CCC(CC)n1ccc(COc2ccccc2[C@@H](OC)C(=O)[O-])n1 ZINC001595124326 979503439 /nfs/dbraw/zinc/50/34/39/979503439.db2.gz BGVBCWWTJKMJAE-QGZVFWFLSA-N -1 0 332.400 3.595 20 0 EHADRM CC[C@H](CCC(F)(F)F)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC001595125784 979511274 /nfs/dbraw/zinc/51/12/74/979511274.db2.gz JEAXAYZZHHVICU-SNVBAGLBSA-N -1 0 335.322 3.935 20 0 EHADRM CC(C)c1ccccc1C(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000851608165 979533828 /nfs/dbraw/zinc/53/38/28/979533828.db2.gz BAAXNTVLZSRZGE-OAQYLSRUSA-N -1 0 337.419 3.679 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N(C)[C@@H](CC(C)C)C(=O)[O-] ZINC000851608293 979534772 /nfs/dbraw/zinc/53/47/72/979534772.db2.gz FPIJZZCHAUQKCY-AWEZNQCLSA-N -1 0 349.452 3.867 20 0 EHADRM CC[C@@](CNC(=O)C1(C2CCC2)CCC1)(C(=O)[O-])c1ccccc1 ZINC001595138671 979582264 /nfs/dbraw/zinc/58/22/64/979582264.db2.gz LVEGWUPGCWQPGO-IBGZPJMESA-N -1 0 329.440 3.506 20 0 EHADRM CC[C@@H](CNC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC001595139202 979588766 /nfs/dbraw/zinc/58/87/66/979588766.db2.gz FCIVUCGMWDFIAL-OANVXVOSSA-N -1 0 347.411 3.794 20 0 EHADRM CC[C@H](CNC(=O)CCCCc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC001595140795 979602355 /nfs/dbraw/zinc/60/23/55/979602355.db2.gz SHBVAEUPCPEJFD-MRXNPFEDSA-N -1 0 333.472 3.924 20 0 EHADRM C[C@@](Cc1ccc(Cl)cc1)(NC(=O)[C@H](F)c1ccccc1)C(=O)[O-] ZINC001592840008 979602388 /nfs/dbraw/zinc/60/23/88/979602388.db2.gz ZNSCWMVELKDGBD-QAPCUYQASA-N -1 0 349.789 3.553 20 0 EHADRM O=C([O-])CN(C(=O)[C@@H](F)c1ccc(C(F)(F)F)cc1)C1CCCC1 ZINC000856961478 979615071 /nfs/dbraw/zinc/61/50/71/979615071.db2.gz HYHYNZDJLHZWCX-AWEZNQCLSA-N -1 0 347.308 3.572 20 0 EHADRM CC[C@H](CNC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1)C(=O)[O-] ZINC001595154282 979658976 /nfs/dbraw/zinc/65/89/76/979658976.db2.gz LOHRQKLKDHFLEN-LLVKDONJSA-N -1 0 348.349 3.864 20 0 EHADRM CC[C@@H](CNC(=O)[C@@H]1CCCC[C@H]1c1cccc(Cl)c1)C(=O)[O-] ZINC001595155066 979663161 /nfs/dbraw/zinc/66/31/61/979663161.db2.gz VHEJKPLMGUWBOF-VBNZEHGJSA-N -1 0 337.847 3.841 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)N(C)Cc2ccsc2)cc1)C(=O)[O-] ZINC001592860659 979692265 /nfs/dbraw/zinc/69/22/65/979692265.db2.gz KVKUVHKXYYYWCG-LBPRGKRZSA-N -1 0 332.425 3.675 20 0 EHADRM O=C([O-])C1CCC(NC(=O)/C=C/c2csc(C(F)(F)F)c2)CC1 ZINC000864120696 979716958 /nfs/dbraw/zinc/71/69/58/979716958.db2.gz KXWZUYXHRVHFRZ-LZCJLJQNSA-N -1 0 347.358 3.540 20 0 EHADRM Cc1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)cc1C(=O)[O-] ZINC000864124518 979724439 /nfs/dbraw/zinc/72/44/39/979724439.db2.gz BHVVBQHEHOIWFJ-UHFFFAOYSA-N -1 0 327.355 3.637 20 0 EHADRM CN(C(=O)/C=C/c1ccc(C(=O)[O-])o1)[C@@H]1CCCc2ccccc21 ZINC000864125277 979725091 /nfs/dbraw/zinc/72/50/91/979725091.db2.gz QUEBDVQVXJOCGW-YBHKSSGVSA-N -1 0 325.364 3.527 20 0 EHADRM O=C(/C=C/c1cc(C(=O)[O-])co1)N[C@@H](c1ccccc1)C1CCC1 ZINC000864128309 979728618 /nfs/dbraw/zinc/72/86/18/979728618.db2.gz AXLSAEYCANBKMW-BBVFFXRHSA-N -1 0 325.364 3.649 20 0 EHADRM C[C@@H](Cc1ccc(NC[C@@H](O)c2cccc(Cl)c2)cc1)C(=O)[O-] ZINC001592876595 979740625 /nfs/dbraw/zinc/74/06/25/979740625.db2.gz AWPWMDHHTHGSGK-YVEFUNNKSA-N -1 0 333.815 3.749 20 0 EHADRM CC[C@](CNc1nc(C)nc2c1CCCC2)(C(=O)[O-])c1ccccc1 ZINC001595172453 979741740 /nfs/dbraw/zinc/74/17/40/979741740.db2.gz DWJNVJCEEIUTOO-HXUWFJFHSA-N -1 0 339.439 3.508 20 0 EHADRM COc1ccccc1-c1ccc(C(=O)N2CCC[C@H]2CC(=O)[O-])s1 ZINC000864146213 979751468 /nfs/dbraw/zinc/75/14/68/979751468.db2.gz VGWGKMWEWGZTBZ-LBPRGKRZSA-N -1 0 345.420 3.503 20 0 EHADRM C[C@H](Cc1cccc(Cl)c1)C(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001592882732 979754131 /nfs/dbraw/zinc/75/41/31/979754131.db2.gz GUNVCAQFPBJGAF-LLVKDONJSA-N -1 0 349.789 3.672 20 0 EHADRM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000864157539 979769040 /nfs/dbraw/zinc/76/90/40/979769040.db2.gz NFJNOJZJMDNYBN-IJDCCNJMSA-N -1 0 343.379 3.609 20 0 EHADRM O=C([O-])c1ccc(/C=C/C(=O)NCc2ccc(C3CCC3)cc2)o1 ZINC000864157871 979770291 /nfs/dbraw/zinc/77/02/91/979770291.db2.gz VDDTWNJRCSRFCD-PKNBQFBNSA-N -1 0 325.364 3.575 20 0 EHADRM C[C@@](Cc1ccccc1)(NC(=O)c1ccc(C(=O)[O-])[nH]1)c1ccccc1 ZINC001592890679 979779065 /nfs/dbraw/zinc/77/90/65/979779065.db2.gz HHRISLGKWQMEPL-NRFANRHFSA-N -1 0 348.402 3.601 20 0 EHADRM O=C([O-])C1=CC[C@@H](NC(=O)CCCc2ccc(Cl)c(Cl)c2)C1 ZINC000864163489 979783852 /nfs/dbraw/zinc/78/38/52/979783852.db2.gz SAXKDABZGYQHLS-GFCCVEGCSA-N -1 0 342.222 3.606 20 0 EHADRM O=C([O-])C1=CC[C@H](NC(=O)c2cc(Cl)ccc2OC2CCCC2)C1 ZINC000864166069 979790333 /nfs/dbraw/zinc/79/03/33/979790333.db2.gz SNGXMGZCOLIWOI-ZDUSSCGKSA-N -1 0 349.814 3.565 20 0 EHADRM CCCC[C@@](C)(F)C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC000864170381 979798136 /nfs/dbraw/zinc/79/81/36/979798136.db2.gz DOVZUBPMZWRMLF-MGPLVRAMSA-N -1 0 329.343 3.535 20 0 EHADRM CC[C@H](NC(=O)c1ccc(/C=C/C(=O)[O-])o1)c1cc(C)ccc1C ZINC000864175862 979817039 /nfs/dbraw/zinc/81/70/39/979817039.db2.gz SSLHUVMIGOIELI-DZZUKKPASA-N -1 0 327.380 3.875 20 0 EHADRM O=C([O-])c1ccccc1CCC(=O)N[C@@H]1CCc2ccc(Cl)cc21 ZINC000864178659 979824412 /nfs/dbraw/zinc/82/44/12/979824412.db2.gz IJECIZRNIDCROM-QGZVFWFLSA-N -1 0 343.810 3.775 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1cc(C(=O)[O-])ccc1Cl)C(F)(F)F ZINC000864178475 979824947 /nfs/dbraw/zinc/82/49/47/979824947.db2.gz BCEBBFUDBUSIRT-CPCISQLKSA-N -1 0 337.725 3.745 20 0 EHADRM CC(C)(C)OC1CCC(NC(=O)CCc2ccccc2C(=O)[O-])CC1 ZINC000864189017 979838242 /nfs/dbraw/zinc/83/82/42/979838242.db2.gz MTTVXRBLJCJJAB-UHFFFAOYSA-N -1 0 347.455 3.560 20 0 EHADRM C[C@](CC(=O)[O-])(NC(=O)CCc1ccc(Cl)cc1Cl)C1CC1 ZINC000864198933 979871997 /nfs/dbraw/zinc/87/19/97/979871997.db2.gz OTTOBTZYIRQCSE-MRXNPFEDSA-N -1 0 344.238 3.686 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@](C)(CC(=O)[O-])C2CC2)c1 ZINC000864199276 979873175 /nfs/dbraw/zinc/87/31/75/979873175.db2.gz SBEMELQOEBYWFE-VBKZILBWSA-N -1 0 347.455 3.645 20 0 EHADRM C/C(Cl)=C\C(=O)N(Cc1ccoc1C(=O)[O-])[C@H](C)c1ccccn1 ZINC001592913165 979885883 /nfs/dbraw/zinc/88/58/83/979885883.db2.gz XXZZHXZTQHXPEL-LMMOQWNQSA-N -1 0 348.786 3.605 20 0 EHADRM C[C@H](Cn1ccc2ccccc21)C(=O)O[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001592919197 979914954 /nfs/dbraw/zinc/91/49/54/979914954.db2.gz ZFXRJNIRNWCPOF-OLZOCXBDSA-N -1 0 341.363 3.873 20 0 EHADRM CC[C@@H](OC1CCCCC1)C(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1 ZINC000864229055 979922303 /nfs/dbraw/zinc/92/23/03/979922303.db2.gz IGOLQTQLKAVCEH-ZWKOTPCHSA-N -1 0 347.455 3.755 20 0 EHADRM CC[C@@H](CSC)N(C)c1nc(C)nc2sc(C(=O)[O-])c(C)c21 ZINC001595202466 979955102 /nfs/dbraw/zinc/95/51/02/979955102.db2.gz BXAAKVLGYQMEEK-JTQLQIEISA-N -1 0 339.486 3.584 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC001595210042 979982447 /nfs/dbraw/zinc/98/24/47/979982447.db2.gz AKTNWAAURGJODC-QGZVFWFLSA-N -1 0 331.456 3.715 20 0 EHADRM CC[C@@H](Cc1cccc(C)c1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC001595210052 979982536 /nfs/dbraw/zinc/98/25/36/979982536.db2.gz AQNJWIRJZVEQCZ-SFHVURJKSA-N -1 0 339.435 3.921 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC001595210768 979986046 /nfs/dbraw/zinc/98/60/46/979986046.db2.gz KGXBYOYZIBUGKN-SJLPKXTDSA-N -1 0 331.456 3.653 20 0 EHADRM CC[C@@H](Cc1ccccc1)C(=O)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC001595211386 979991999 /nfs/dbraw/zinc/99/19/99/979991999.db2.gz TWBKCGJBVHEUTD-INIZCTEOSA-N -1 0 341.407 3.739 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)N(CC(=O)[O-])c1cccc(F)c1 ZINC001595212186 979996757 /nfs/dbraw/zinc/99/67/57/979996757.db2.gz XWHCQCKFRHKAHI-MRXNPFEDSA-N -1 0 343.398 3.821 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(CC)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC001595213133 980004388 /nfs/dbraw/zinc/00/43/88/980004388.db2.gz NAOSCPVUYHWSEI-HNNXBMFYSA-N -1 0 343.427 3.896 20 0 EHADRM CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001595213672 980009011 /nfs/dbraw/zinc/00/90/11/980009011.db2.gz VGTVBKUMHFTOAB-MRXNPFEDSA-N -1 0 326.396 3.836 20 0 EHADRM CC(F)(F)c1ccc(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC001592943201 980013084 /nfs/dbraw/zinc/01/30/84/980013084.db2.gz FJPNHDCZCCCVQD-UHFFFAOYSA-N -1 0 331.318 3.653 20 0 EHADRM CC(F)(F)c1ccccc1NC(=O)N[C@H](CC(=O)[O-])C1CCCC1 ZINC001592943727 980016594 /nfs/dbraw/zinc/01/65/94/980016594.db2.gz BGFYBKLUICNBGV-CQSZACIVSA-N -1 0 340.370 3.953 20 0 EHADRM CC(F)(F)c1ccc(C(=O)O[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC001592944392 980021703 /nfs/dbraw/zinc/02/17/03/980021703.db2.gz NHPQFHYYYPKKDQ-AWEZNQCLSA-N -1 0 338.281 3.920 20 0 EHADRM Cc1ccc(CN2CCO[C@H](c3ccccc3C)C2)cc1C(=O)[O-] ZINC000872159567 980044175 /nfs/dbraw/zinc/04/41/75/980044175.db2.gz WQIUAWXZHRDMSN-IBGZPJMESA-N -1 0 325.408 3.575 20 0 EHADRM CCC(F)(F)c1ccccc1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC001595224920 980070608 /nfs/dbraw/zinc/07/06/08/980070608.db2.gz HDNQOYJTLLHBDH-UHFFFAOYSA-N -1 0 340.370 3.953 20 0 EHADRM CCC(F)(F)c1ccccc1NC(=O)N1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC001595225944 980074810 /nfs/dbraw/zinc/07/48/10/980074810.db2.gz PHFNBXSONVLEDS-BDJLRTHQSA-N -1 0 340.370 3.763 20 0 EHADRM CCC(F)(F)c1ccccc1NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001595226315 980075824 /nfs/dbraw/zinc/07/58/24/980075824.db2.gz SABWBWISMGDMGQ-SMDDNHRTSA-N -1 0 341.354 3.539 20 0 EHADRM CC[C@H](NC(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1)c1cccc2ccccc21 ZINC001595246149 980180990 /nfs/dbraw/zinc/18/09/90/980180990.db2.gz SFBVHHKCKHAWMW-DAYGRLMNSA-N -1 0 340.423 3.796 20 0 EHADRM C[C@@H](NC(=O)/C(F)=C/C1CCCCC1)c1ccc(OCC(=O)[O-])cc1 ZINC001592994486 980204580 /nfs/dbraw/zinc/20/45/80/980204580.db2.gz ZTRMHFSGGDXGBW-GPLLRDDGSA-N -1 0 349.402 3.761 20 0 EHADRM CC[C@H](NC(=O)NCCCCC(=O)[O-])c1cccc2ccccc21 ZINC000898836741 980224139 /nfs/dbraw/zinc/22/41/39/980224139.db2.gz ZQILHUCVWJLFNT-KRWDZBQOSA-N -1 0 328.412 3.845 20 0 EHADRM CC(C)Cc1ncc(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)s1 ZINC000899294455 980224818 /nfs/dbraw/zinc/22/48/18/980224818.db2.gz CADNNSPBYYRTCY-LLVKDONJSA-N -1 0 332.425 3.782 20 0 EHADRM Cc1oc(C(C)(C)C)cc1C(=O)NCCc1ccccc1C(=O)[O-] ZINC000899303744 980225744 /nfs/dbraw/zinc/22/57/44/980225744.db2.gz IBTBUYBXCLCMPH-UHFFFAOYSA-N -1 0 329.396 3.556 20 0 EHADRM CCOC(=O)/C(=C/c1cc(C(=O)[O-])co1)c1nc(C(C)C)c(C)s1 ZINC000899363640 980228372 /nfs/dbraw/zinc/22/83/72/980228372.db2.gz FRUPUAGODCKWAS-NTUHNPAUSA-N -1 0 349.408 3.970 20 0 EHADRM C[C@@](NC(=O)/C=C\Sc1ccccc1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593009822 980239556 /nfs/dbraw/zinc/23/95/56/980239556.db2.gz ZAOKGGIMCUPLHW-JYBLJSLWSA-N -1 0 345.395 3.548 20 0 EHADRM O=C([O-])c1cc2n(n1)CCC[C@@H]2NCc1cc(Cl)sc1Cl ZINC000900070559 980242687 /nfs/dbraw/zinc/24/26/87/980242687.db2.gz MLIMGBPRFCUBHJ-QMMMGPOBSA-N -1 0 346.239 3.574 20 0 EHADRM C[C@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)[C@@H]1CC2CCC1CC2 ZINC001593019874 980275335 /nfs/dbraw/zinc/27/53/35/980275335.db2.gz KGJRUKBJXXUFFR-CUGJKRCDSA-N -1 0 329.440 3.648 20 0 EHADRM COc1c(C)cnc(CNc2ccc(C(C)(C)C(=O)[O-])cc2)c1C ZINC000901512053 980328823 /nfs/dbraw/zinc/32/88/23/980328823.db2.gz HFFVTIPKLOKHIB-UHFFFAOYSA-N -1 0 328.412 3.681 20 0 EHADRM O=C([O-])[C@H](NCc1nc2c(s1)CCC2)c1ccc2ccccc2c1 ZINC000901516637 980333765 /nfs/dbraw/zinc/33/37/65/980333765.db2.gz QERZOECAGKVPRL-GOSISDBHSA-N -1 0 338.432 3.701 20 0 EHADRM C[C@H](NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1c(F)cccc1F ZINC001593049607 980338154 /nfs/dbraw/zinc/33/81/54/980338154.db2.gz FIWRJJZNEWRXOT-NSHDSACASA-N -1 0 348.349 3.566 20 0 EHADRM CC[C@@](NCc1ncc(C2CC2)o1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595305838 980451939 /nfs/dbraw/zinc/45/19/39/980451939.db2.gz NPJDMRRRWRJWSZ-KRWDZBQOSA-N -1 0 334.803 3.685 20 0 EHADRM CC[C@@](O)(C(=O)Nc1ccc(C)c(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC001595323530 980524079 /nfs/dbraw/zinc/52/40/79/980524079.db2.gz WNQVCJBVKDHUFJ-SFHVURJKSA-N -1 0 347.798 3.583 20 0 EHADRM CC[C@@](O)(C(=O)Nc1ccc(C(=O)[O-])c(C)c1)c1cccc(Cl)c1 ZINC001595323658 980525570 /nfs/dbraw/zinc/52/55/70/980525570.db2.gz ZXDLXQGWCBSVIT-SFHVURJKSA-N -1 0 347.798 3.583 20 0 EHADRM CC[C@H](OC(=O)c1csc(N(C)c2ccccc2)n1)[C@H](C)C(=O)[O-] ZINC001595354489 980692023 /nfs/dbraw/zinc/69/20/23/980692023.db2.gz XQKSQOJFHXBSOD-FZMZJTMJSA-N -1 0 348.424 3.567 20 0 EHADRM CC[C@H](OC(=O)c1csc(N(C)c2ccccc2)n1)[C@@H](C)C(=O)[O-] ZINC001595354490 980692088 /nfs/dbraw/zinc/69/20/88/980692088.db2.gz XQKSQOJFHXBSOD-RISCZKNCSA-N -1 0 348.424 3.567 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001595356177 980709476 /nfs/dbraw/zinc/70/94/76/980709476.db2.gz CAYAXFMGVCIXBK-OXQOHEQNSA-N -1 0 347.455 3.692 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ncc(C(=O)[O-])cc1Cl ZINC001595356770 980715992 /nfs/dbraw/zinc/71/59/92/980715992.db2.gz KRRMVGHZFSDJFC-CQSZACIVSA-N -1 0 348.786 3.538 20 0 EHADRM CC[C@H](Oc1ccccc1C)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001595357350 980721627 /nfs/dbraw/zinc/72/16/27/980721627.db2.gz WITPAFPIOVKNON-LBPRGKRZSA-N -1 0 333.409 3.859 20 0 EHADRM CC[C@H](Oc1ccccc1C(C)C)C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-] ZINC001595357436 980722317 /nfs/dbraw/zinc/72/23/17/980722317.db2.gz ZMXXUJHWDNYCCZ-HOTGVXAUSA-N -1 0 349.471 3.973 20 0 EHADRM Cc1nc(C2(NCc3ccc(C(=O)[O-])c(Cl)c3)CCCCC2)no1 ZINC000902088676 980727752 /nfs/dbraw/zinc/72/77/52/980727752.db2.gz NATUQZDEOYWVHQ-UHFFFAOYSA-N -1 0 349.818 3.679 20 0 EHADRM O=C([O-])c1cc(CNc2cccc(N3CCCCC3=O)c2)cs1 ZINC000902121961 980744984 /nfs/dbraw/zinc/74/49/84/980744984.db2.gz BHRIMEGSROVAIU-UHFFFAOYSA-N -1 0 330.409 3.575 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cccc2c1CCC2 ZINC001595360084 980748315 /nfs/dbraw/zinc/74/83/15/980748315.db2.gz CEGGMZPSPRIEEO-LJQANCHMSA-N -1 0 337.419 3.853 20 0 EHADRM O=C([O-])/C=C\c1ccc(CNc2ccc(OC[C@H]3CCCO3)cc2)o1 ZINC000902147097 980757198 /nfs/dbraw/zinc/75/71/98/980757198.db2.gz HOAPMEBTVJOWDM-HJCTWCACSA-N -1 0 343.379 3.547 20 0 EHADRM CCC(C)(C)NC(=O)c1ccc(NCc2ccc(C(=O)[O-])o2)cc1 ZINC000902152595 980758990 /nfs/dbraw/zinc/75/89/90/980758990.db2.gz YFFSIZOXOWDDGF-UHFFFAOYSA-N -1 0 330.384 3.508 20 0 EHADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)/C=C(\C)c1ccco1 ZINC001595362155 980768264 /nfs/dbraw/zinc/76/82/64/980768264.db2.gz XQWBBSMYHMKLIB-WCRPCQDQSA-N -1 0 327.380 3.747 20 0 EHADRM C[C@H](Nc1ccc(OCc2ccccn2)c(Cl)c1)[C@@H]1C[C@H]1C(=O)[O-] ZINC000902193192 980777150 /nfs/dbraw/zinc/77/71/50/980777150.db2.gz WXYQIFKQDWOBNR-TUKIKUTGSA-N -1 0 346.814 3.835 20 0 EHADRM CC(=O)N(C)c1cccc(N[C@@H]2CCC[C@H](CCCC(=O)[O-])C2)c1 ZINC000902294613 980820699 /nfs/dbraw/zinc/82/06/99/980820699.db2.gz WTKBRRBNHHKNOI-HZPDHXFCSA-N -1 0 332.444 3.895 20 0 EHADRM CCc1oc(CNc2ccc(F)cc2OC(F)F)cc1C(=O)[O-] ZINC000902312666 980829346 /nfs/dbraw/zinc/82/93/46/980829346.db2.gz NATFQLPMJIBRMU-UHFFFAOYSA-N -1 0 329.274 3.893 20 0 EHADRM CCc1oc(CN[C@@H](COC)c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000902365630 980855046 /nfs/dbraw/zinc/85/50/46/980855046.db2.gz CZNSZGWUEIMAJV-HNNXBMFYSA-N -1 0 337.803 3.671 20 0 EHADRM CC(C)Oc1ccc2ccccc2c1CNCc1cc(C(=O)[O-])no1 ZINC000902382285 980865186 /nfs/dbraw/zinc/86/51/86/980865186.db2.gz SRIOZRLUKYONOD-UHFFFAOYSA-N -1 0 340.379 3.603 20 0 EHADRM CCC1(CC)[C@H](NC(=O)Nc2cc(C)cc(C(=O)[O-])c2)[C@H](C)[C@@H]1OC ZINC001595373685 980875623 /nfs/dbraw/zinc/87/56/23/980875623.db2.gz NJWXZZXZZYHPEJ-MAZHCROVSA-N -1 0 348.443 3.654 20 0 EHADRM CCC1(CC)CN([C@H](C)C(=O)[O-])c2ccc(Br)cc21 ZINC001595375568 980897292 /nfs/dbraw/zinc/89/72/92/980897292.db2.gz RGIINAYLWZZTRR-SNVBAGLBSA-N -1 0 326.234 3.800 20 0 EHADRM CCC1(c2ccccc2)CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC001595397482 980965534 /nfs/dbraw/zinc/96/55/34/980965534.db2.gz QKAVZUDCHSSDSS-UHFFFAOYSA-N -1 0 342.370 3.719 20 0 EHADRM CCC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1Cc1ccccc1 ZINC001595399855 980973159 /nfs/dbraw/zinc/97/31/59/980973159.db2.gz ZOFDSKPCKSANNK-GOSISDBHSA-N -1 0 336.391 3.702 20 0 EHADRM CC[C@@H]1C[C@@H](CC(=O)Oc2ccc(C(=O)[O-])cc2Cl)CCO1 ZINC001595412269 981009748 /nfs/dbraw/zinc/00/97/48/981009748.db2.gz BLONYEGZDCMRCK-CMPLNLGQSA-N -1 0 326.776 3.539 20 0 EHADRM CCC1CCC(CNC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC001595416798 981033903 /nfs/dbraw/zinc/03/39/03/981033903.db2.gz YZCRVQHMJISKPA-VQIVBJKUSA-N -1 0 329.440 3.578 20 0 EHADRM CC[C@@H](C(=O)NC1(C(=O)[O-])CCC(CC)CC1)c1ccc(F)cc1 ZINC001595420458 981035546 /nfs/dbraw/zinc/03/55/46/981035546.db2.gz MHJARDGVKDUDKR-ZHTDJMBKSA-N -1 0 335.419 3.859 20 0 EHADRM CC[C@@H]1CCC[C@H]1C(=O)N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001595435723 981066342 /nfs/dbraw/zinc/06/63/42/981066342.db2.gz MAIAKWQECITUHG-HONMWMINSA-N -1 0 343.345 3.774 20 0 EHADRM CC[C@H]1CCC[C@@H]1C(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001595435747 981066431 /nfs/dbraw/zinc/06/64/31/981066431.db2.gz MLWQLOSDPIGSOX-UWVGGRQHSA-N -1 0 340.217 3.912 20 0 EHADRM CC[C@@H]1CCC[C@@H]1C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC001595435913 981066742 /nfs/dbraw/zinc/06/67/42/981066742.db2.gz NNPLWQLIWDYODD-KDOFPFPSSA-N -1 0 344.455 3.614 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2CCOC3(CCCC3)C2)cc1 ZINC000905005554 981085676 /nfs/dbraw/zinc/08/56/76/981085676.db2.gz DSEHMAMBPQACGC-DZGCQCFKSA-N -1 0 331.412 3.553 20 0 EHADRM Cc1cc(C)cc([C@H](NCc2ccn(C3CCCC3)n2)C(=O)[O-])c1 ZINC000905391001 981110266 /nfs/dbraw/zinc/11/02/66/981110266.db2.gz KNRSPZNMCKLEBZ-SFHVURJKSA-N -1 0 327.428 3.531 20 0 EHADRM O=C([O-])c1cnc([C@H]2CC[N@H+](Cc3cc(Cl)cs3)C2)s1 ZINC000905740398 981133469 /nfs/dbraw/zinc/13/34/69/981133469.db2.gz PBIYXRQQEJTODE-QMMMGPOBSA-N -1 0 328.846 3.546 20 0 EHADRM CC[C@H]1CCN(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)C1 ZINC001595459016 981134568 /nfs/dbraw/zinc/13/45/68/981134568.db2.gz CWCOMCKCPHULOX-AWEZNQCLSA-N -1 0 345.443 3.639 20 0 EHADRM CC[C@@H]1CCc2ccccc2N1C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001595467922 981157150 /nfs/dbraw/zinc/15/71/50/981157150.db2.gz JJSIKPVQROJRHC-BOLDSZDNSA-N -1 0 325.364 3.749 20 0 EHADRM COc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000471136592 1014713225 /nfs/dbraw/zinc/71/32/25/1014713225.db2.gz MKSTZVGQRRXCAR-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM O=C([O-])[C@]1(C(=O)N[C@H]2CCCc3sccc32)C[C@@H]1c1ccccc1 ZINC000907659393 981204932 /nfs/dbraw/zinc/20/49/32/981204932.db2.gz DJEASVKBZBSSHJ-ZRGWGRIASA-N -1 0 341.432 3.500 20 0 EHADRM O=C([O-])c1cccc2c1CCN2C(=O)CCc1ccc(C(F)F)cc1 ZINC000907982869 981250637 /nfs/dbraw/zinc/25/06/37/981250637.db2.gz NNXHHOGTHFYWPH-UHFFFAOYSA-N -1 0 345.345 3.844 20 0 EHADRM Cc1cccnc1[C@@H](NC(=O)c1ccc(/C=C\C(=O)[O-])o1)C(C)(C)C ZINC000908118859 981266053 /nfs/dbraw/zinc/26/60/53/981266053.db2.gz GIJVNLJQTMERIR-SECOEOQKSA-N -1 0 342.395 3.598 20 0 EHADRM CCC[C@@H](C(=O)NCCCCC1(C(=O)[O-])CCC1)c1ccccn1 ZINC000908332379 981300482 /nfs/dbraw/zinc/30/04/82/981300482.db2.gz DVOWBXDNJCSJJZ-OAHLLOKOSA-N -1 0 332.444 3.507 20 0 EHADRM Cc1ccc(CCCC(=O)NCCCCC2(C(=O)[O-])CCC2)s1 ZINC000908340541 981304421 /nfs/dbraw/zinc/30/44/21/981304421.db2.gz ZKUMZIWIPAUOEW-UHFFFAOYSA-N -1 0 337.485 3.921 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C1CC2(CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000908418118 981314645 /nfs/dbraw/zinc/31/46/45/981314645.db2.gz ZOFLHSHRPILCNP-CYBMUJFWSA-N -1 0 341.329 3.528 20 0 EHADRM COc1c(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cccc1C(=O)[O-] ZINC000908506176 981319302 /nfs/dbraw/zinc/31/93/02/981319302.db2.gz ADAVIXFBBNFSAA-ZJUUUORDSA-N -1 0 345.317 3.701 20 0 EHADRM Cc1ccc2c(ccc(C)c2C(=O)N2CCC(CC(=O)[O-])CC2)c1 ZINC000908680679 981338218 /nfs/dbraw/zinc/33/82/18/981338218.db2.gz YVXHXGDDHUOVMN-UHFFFAOYSA-N -1 0 325.408 3.784 20 0 EHADRM CC(C)[C@@H](NC(=O)c1ccoc1CC(=O)[O-])c1ccc(Cl)cc1 ZINC000908708646 981343726 /nfs/dbraw/zinc/34/37/26/981343726.db2.gz ZCNINPQOTFZBSN-MRXNPFEDSA-N -1 0 335.787 3.687 20 0 EHADRM Cc1cc([C@H](C)NC(=O)c2ccccc2CCC(=O)[O-])c(C)s1 ZINC000908720178 981346960 /nfs/dbraw/zinc/34/69/60/981346960.db2.gz HZWLWGLZBHKBMU-LBPRGKRZSA-N -1 0 331.437 3.873 20 0 EHADRM Cc1ccc(SCCNC(=O)c2ccccc2CCC(=O)[O-])cc1 ZINC000908739093 981350923 /nfs/dbraw/zinc/35/09/23/981350923.db2.gz PLVJAQSCMMJLJH-UHFFFAOYSA-N -1 0 343.448 3.534 20 0 EHADRM O=C([O-])C12CCC(C(=O)NCc3csc4ccccc34)(CC1)C2 ZINC000908752651 981354078 /nfs/dbraw/zinc/35/40/78/981354078.db2.gz DNDKVUYUBKSVOS-UHFFFAOYSA-N -1 0 329.421 3.553 20 0 EHADRM CN(C(=O)c1[nH]c2ccccc2c1CC(=O)[O-])C1CCCCCCC1 ZINC000908768402 981357535 /nfs/dbraw/zinc/35/75/35/981357535.db2.gz IRUCECXFRNTKEK-UHFFFAOYSA-N -1 0 342.439 3.980 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC000908799814 981364441 /nfs/dbraw/zinc/36/44/41/981364441.db2.gz BOCINRHLARFXHU-IGCXYCKISA-N -1 0 340.423 3.588 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3CCC[C@]4(CC=CCC4)C3)(CC1)CC2 ZINC000908807736 981366167 /nfs/dbraw/zinc/36/61/67/981366167.db2.gz YZBRHAWCUMCZPJ-XEVCZEQESA-N -1 0 331.456 3.761 20 0 EHADRM O=C([O-])C12CCC(C(=O)N[C@@H](Cc3ccccc3)C3CC3)(CC1)CC2 ZINC000908818035 981368092 /nfs/dbraw/zinc/36/80/92/981368092.db2.gz SZQQWTLUVTYWLH-RPCJCACASA-N -1 0 341.451 3.549 20 0 EHADRM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)C23CCC(C(=O)[O-])(CC2)C3)C1 ZINC000908820377 981368104 /nfs/dbraw/zinc/36/81/04/981368104.db2.gz MHJLQIBHEYLWGK-AJHHTPGJSA-N -1 0 341.451 3.735 20 0 EHADRM C[C@@H](CNC(=O)c1ccccc1CCC(=O)[O-])Sc1ccccc1 ZINC000908825653 981368789 /nfs/dbraw/zinc/36/87/89/981368789.db2.gz QWQGTZOHKYARMJ-AWEZNQCLSA-N -1 0 343.448 3.614 20 0 EHADRM C/C=C(\CC)C(=O)N[C@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000908857219 981378908 /nfs/dbraw/zinc/37/89/08/981378908.db2.gz RRZSCGRJGFEXDS-NUQDLXRASA-N -1 0 345.317 3.574 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000908857050 981379035 /nfs/dbraw/zinc/37/90/35/981379035.db2.gz USJMEPUZTZXDIA-UHFFFAOYSA-N -1 0 349.761 3.514 20 0 EHADRM CCC[C@@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1C)c1ccccn1 ZINC001595537257 981386476 /nfs/dbraw/zinc/38/64/76/981386476.db2.gz ILGWHRMODCGHQE-GFCCVEGCSA-N -1 0 330.359 3.750 20 0 EHADRM CCC[C@@H](C(=O)Nc1cccc(CC(=O)[O-])n1)c1ccc(Cl)cc1 ZINC001595537920 981388864 /nfs/dbraw/zinc/38/88/64/981388864.db2.gz OMQWDGUSXZJOQC-OAHLLOKOSA-N -1 0 346.814 3.885 20 0 EHADRM C[C@@H](C(=O)NC(C)(C)CCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000908948102 981391018 /nfs/dbraw/zinc/39/10/18/981391018.db2.gz MXLIENMBZPOXDV-SNVBAGLBSA-N -1 0 331.334 3.569 20 0 EHADRM CCC[C@@H](C(=O)O[C@@H](C)c1ccc(C(=O)[O-])cc1)c1ccccn1 ZINC001595538737 981393395 /nfs/dbraw/zinc/39/33/95/981393395.db2.gz PBLZXTPAIMGTEW-XJKSGUPXSA-N -1 0 327.380 3.968 20 0 EHADRM CC/C(C)=C(\C)C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000908972499 981394033 /nfs/dbraw/zinc/39/40/33/981394033.db2.gz BKHUWIFTAIXVGU-VAWYXSNFSA-N -1 0 325.355 3.515 20 0 EHADRM CN(C(=O)C1CCC(C(F)(F)F)CC1)[C@H](C(=O)[O-])c1ccccc1 ZINC000909000531 981398405 /nfs/dbraw/zinc/39/84/05/981398405.db2.gz LHQOGYPURFWKLF-RUXDESIVSA-N -1 0 343.345 3.639 20 0 EHADRM CC1(C)C[C@@H](C(=O)Nc2ccccc2CC(=O)[O-])c2ccccc2O1 ZINC000909071004 981412975 /nfs/dbraw/zinc/41/29/75/981412975.db2.gz MHPFUOAAXRYPTP-OAHLLOKOSA-N -1 0 339.391 3.597 20 0 EHADRM CCC[C@@](C)(NC(=O)CC(C)(C)CC(=O)c1ccc(C)cc1)C(=O)[O-] ZINC001595547874 981423783 /nfs/dbraw/zinc/42/37/83/981423783.db2.gz ZXBRTASSODJYKQ-HXUWFJFHSA-N -1 0 347.455 3.744 20 0 EHADRM CCC[C@](C)(NC(=O)c1cc2c3ccccc3n(C)c2s1)C(=O)[O-] ZINC001595553205 981427865 /nfs/dbraw/zinc/42/78/65/981427865.db2.gz LNJJQERTOCTATL-SFHVURJKSA-N -1 0 344.436 3.766 20 0 EHADRM CCC[C@@](C)(NC(=O)c1ccc(Oc2ccccc2C)cn1)C(=O)[O-] ZINC001595553403 981429405 /nfs/dbraw/zinc/42/94/05/981429405.db2.gz JENQBBKZCFSXLW-LJQANCHMSA-N -1 0 342.395 3.556 20 0 EHADRM O=C([O-])c1sc2ccccc2c1CNC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000909214586 981433912 /nfs/dbraw/zinc/43/39/12/981433912.db2.gz UIZHJWZUCPXDOB-AAEUAGOBSA-N -1 0 329.421 3.652 20 0 EHADRM Cc1nc(CC(C)C)oc1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000909287991 981460216 /nfs/dbraw/zinc/46/02/16/981460216.db2.gz MDQPZSHXNRZPLL-UHFFFAOYSA-N -1 0 344.411 3.796 20 0 EHADRM Cc1c(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)cnn1C1CCCCC1 ZINC000909295192 981462989 /nfs/dbraw/zinc/46/29/89/981462989.db2.gz ROGCPFGXAAJFBV-UHFFFAOYSA-N -1 0 341.411 3.956 20 0 EHADRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C2(C(F)(F)F)CCC2)cc1 ZINC000909297254 981464207 /nfs/dbraw/zinc/46/42/07/981464207.db2.gz NQJZIBCNOKUBDS-UHFFFAOYSA-N -1 0 329.318 3.720 20 0 EHADRM CC(C)c1scnc1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000909298798 981464717 /nfs/dbraw/zinc/46/47/17/981464717.db2.gz XRJORXROVHPWMI-UHFFFAOYSA-N -1 0 332.425 3.881 20 0 EHADRM CCC[C@@H](C)CCNC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001595573194 981487368 /nfs/dbraw/zinc/48/73/68/981487368.db2.gz JLFIPSFXNMDDTP-ZBFHGGJFSA-N -1 0 334.460 3.964 20 0 EHADRM Cc1cccc([C@@H](NC(=O)c2ccoc2CC(=O)[O-])C(C)(C)C)c1 ZINC000909413278 981488249 /nfs/dbraw/zinc/48/82/49/981488249.db2.gz PUMFXYPLJXOCPJ-QGZVFWFLSA-N -1 0 329.396 3.732 20 0 EHADRM C[C@H](c1ccc(C(=O)N(C[C@H](C)C(=O)[O-])C2CC2)cc1)C(F)(F)F ZINC000909455653 981497385 /nfs/dbraw/zinc/49/73/85/981497385.db2.gz ZHFDOENVUQBUNM-WDEREUQCSA-N -1 0 343.345 3.678 20 0 EHADRM CCC[C@H](C)c1cc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)n[nH]1 ZINC001595579862 981511229 /nfs/dbraw/zinc/51/12/29/981511229.db2.gz UYZAHXMFMWCVKK-KAMYHZANSA-N -1 0 333.432 3.677 20 0 EHADRM CCC[C@@H](CC(C)C)C(=O)N[C@@](C)(Cc1ccc(F)cc1)C(=O)[O-] ZINC001595579879 981511696 /nfs/dbraw/zinc/51/16/96/981511696.db2.gz VHNLYIRWIQKIJJ-KXBFYZLASA-N -1 0 337.435 3.790 20 0 EHADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cn(C)nc1C1CCCC1 ZINC000909517655 981523924 /nfs/dbraw/zinc/52/39/24/981523924.db2.gz UJDHIGFEYCKXER-UHFFFAOYSA-N -1 0 341.411 3.645 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000909557138 981541686 /nfs/dbraw/zinc/54/16/86/981541686.db2.gz QJESATKTTFSIGL-OSMZGAPFSA-N -1 0 343.345 3.569 20 0 EHADRM CC[C@H](C)Oc1ccc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1 ZINC000909578003 981547351 /nfs/dbraw/zinc/54/73/51/981547351.db2.gz XBZVUCFKMGUUQH-MDAWKPQNSA-N -1 0 331.412 3.838 20 0 EHADRM O=C([O-])[C@@H]1CN(C(=O)C[C@@H]2C=CCCC2)C[C@H]1c1ccc(Cl)cc1 ZINC000909629139 981557154 /nfs/dbraw/zinc/55/71/54/981557154.db2.gz RYEMINNFIJLNNX-XOKHGSTOSA-N -1 0 347.842 3.713 20 0 EHADRM CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001595594028 981560179 /nfs/dbraw/zinc/56/01/79/981560179.db2.gz KUTYADOUISKYSD-KSZLIROESA-N -1 0 331.456 3.747 20 0 EHADRM CCC[C@H](NC(=O)/C=C/c1cc(C(=O)[O-])co1)c1ccc(F)cc1F ZINC001595598646 981568373 /nfs/dbraw/zinc/56/83/73/981568373.db2.gz MWMWBPJVYUJBCP-YERXGYGTSA-N -1 0 349.333 3.927 20 0 EHADRM CCC[C@@H](NC(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC001595599644 981573000 /nfs/dbraw/zinc/57/30/00/981573000.db2.gz DJUXCYYJKCQUIF-QGZVFWFLSA-N -1 0 342.395 3.813 20 0 EHADRM CC[C@@H](C(=O)[O-])C(=O)N[C@H](CCc1ccccc1)c1ccccc1 ZINC001594746746 981635157 /nfs/dbraw/zinc/63/51/57/981635157.db2.gz BEEUNMCBAYTWNJ-QZTJIDSGSA-N -1 0 325.408 3.588 20 0 EHADRM C[C@@H](c1ccc(C(=O)N2CCC[C@](C)(C(=O)[O-])C2)cc1)C(F)(F)F ZINC000909841705 981663008 /nfs/dbraw/zinc/66/30/08/981663008.db2.gz JKSDEBCKLHMZFW-ZBEGNZNMSA-N -1 0 343.345 3.679 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)[C@@H]2CCC[C@@H]2c2ccccc2)s1 ZINC000909846434 981671753 /nfs/dbraw/zinc/67/17/53/981671753.db2.gz BMQUBWZHVICZDK-HUUCEWRRSA-N -1 0 329.421 3.646 20 0 EHADRM CC[C@H](C(=O)[O-])C(=O)Nc1ccc(Oc2cccc(C)c2C)nc1 ZINC001594759109 981685035 /nfs/dbraw/zinc/68/50/35/981685035.db2.gz CFYCMFPLEDBWCL-AWEZNQCLSA-N -1 0 328.368 3.540 20 0 EHADRM CC[C@@H](C(=O)[O-])N(C(=O)[C@H](C)c1ccc(F)cc1F)c1ccccc1 ZINC001594764516 981708667 /nfs/dbraw/zinc/70/86/67/981708667.db2.gz OQFAEGBJZRXXRF-PXAZEXFGSA-N -1 0 347.361 3.965 20 0 EHADRM CCC[C@@H]1CCCC[C@@H]1NC(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC001595622675 981712722 /nfs/dbraw/zinc/71/27/22/981712722.db2.gz VKAODZVMCLPLLC-CJNGLKHVSA-N -1 0 342.439 3.884 20 0 EHADRM CCC[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CCO1 ZINC001595624795 981737208 /nfs/dbraw/zinc/73/72/08/981737208.db2.gz GGLVXQCDDLAPKC-CYBMUJFWSA-N -1 0 342.395 3.571 20 0 EHADRM CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1ccoc1CC(=O)[O-] ZINC000910026212 981737668 /nfs/dbraw/zinc/73/76/68/981737668.db2.gz AIWNQQZZZHKYDI-AUUYWEPGSA-N -1 0 341.407 3.596 20 0 EHADRM CC[C@@H](C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(F)cc1 ZINC001594774317 981751398 /nfs/dbraw/zinc/75/13/98/981751398.db2.gz CPGBGIXFXZSCKT-CVEARBPZSA-N -1 0 334.318 3.828 20 0 EHADRM Cc1c(NC(=O)[C@H]2CC=CCC2)cc(Br)cc1C(=O)[O-] ZINC000910084964 981755267 /nfs/dbraw/zinc/75/52/67/981755267.db2.gz PGPOMBBOPZHPQM-JTQLQIEISA-N -1 0 338.201 3.751 20 0 EHADRM C/C(=C\C1CCC(C)CC1)C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000910153947 981767469 /nfs/dbraw/zinc/76/74/69/981767469.db2.gz AVNYKHBYNABQGV-PRHZHUSRSA-N -1 0 336.457 3.791 20 0 EHADRM CC[C@@H](C(=O)OCc1ccc(F)cc1C(=O)[O-])c1ccc(OC)cc1 ZINC001594776405 981767637 /nfs/dbraw/zinc/76/76/37/981767637.db2.gz YPTBRDVMZFTVRO-MRXNPFEDSA-N -1 0 346.354 3.770 20 0 EHADRM CC[C@@H](C(=O)Oc1ccc(C(=O)[O-])c(OC)c1)c1ccc(F)cc1 ZINC001594778421 981776441 /nfs/dbraw/zinc/77/64/41/981776441.db2.gz RCJWJIGIEFYDSV-CQSZACIVSA-N -1 0 332.327 3.632 20 0 EHADRM O=C([O-])Cc1ccc(CNC(=O)CCCc2ccccc2Cl)cc1 ZINC000910194059 981778337 /nfs/dbraw/zinc/77/83/37/981778337.db2.gz VMXORVFIRCEJKG-UHFFFAOYSA-N -1 0 345.826 3.606 20 0 EHADRM C[C@H](c1ccc(C(=O)N2C3CCC2(C(=O)[O-])CC3)cc1)C(F)(F)F ZINC000910294242 981848420 /nfs/dbraw/zinc/84/84/20/981848420.db2.gz FUXCRXHDWLOSKQ-NBZBQWRSSA-N -1 0 341.329 3.574 20 0 EHADRM CCCC[C@@H](CC)CC(=O)N1c2c(cccc2C(=O)[O-])NC(=O)[C@@H]1C ZINC001595632018 981848393 /nfs/dbraw/zinc/84/83/93/981848393.db2.gz OIIGCQLJVRYPBM-QWHCGFSZSA-N -1 0 346.427 3.665 20 0 EHADRM CCCC[C@H](CCC)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001595632184 981851241 /nfs/dbraw/zinc/85/12/41/981851241.db2.gz BWODXUKUIHKMLH-AWEZNQCLSA-N -1 0 341.473 3.578 20 0 EHADRM CC[C@](C)(C(=O)[O-])N(CC1CC1)C(=O)c1cccc2ccc(C)nc21 ZINC001594792054 981857682 /nfs/dbraw/zinc/85/76/82/981857682.db2.gz KJSNQHGVIQVDIN-HXUWFJFHSA-N -1 0 340.423 3.649 20 0 EHADRM CCCC[C@@H](NC(=O)C(C)(C)c1cccc(Cl)c1F)C(=O)[O-] ZINC001595634567 981890363 /nfs/dbraw/zinc/89/03/63/981890363.db2.gz PVVBFWXVKGASEG-GFCCVEGCSA-N -1 0 329.799 3.516 20 0 EHADRM CCC(C)(C)OCC(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC001594808343 981916633 /nfs/dbraw/zinc/91/66/33/981916633.db2.gz CDGYGEHMMIKOJO-MRXNPFEDSA-N -1 0 349.471 3.821 20 0 EHADRM CCCC[C@H](NC(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1)C(=O)[O-] ZINC001595636712 981921523 /nfs/dbraw/zinc/92/15/23/981921523.db2.gz LWPUMEKCCZWZLJ-HNNXBMFYSA-N -1 0 330.428 3.839 20 0 EHADRM CCCC[C@@H](NC(=O)c1cccc(SC(F)(F)F)c1)C(=O)[O-] ZINC001595636947 981924584 /nfs/dbraw/zinc/92/45/84/981924584.db2.gz DTQNMIBZRPLBLA-LLVKDONJSA-N -1 0 335.347 3.672 20 0 EHADRM CCC(C)(C)c1ccccc1C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC001594815484 981942196 /nfs/dbraw/zinc/94/21/96/981942196.db2.gz AIIPGAKZOSTCLE-QGZVFWFLSA-N -1 0 339.435 3.972 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc(Oc2ccccc2)ccc1O ZINC001594822422 981974986 /nfs/dbraw/zinc/97/49/86/981974986.db2.gz WYOPKWPXPSBRMO-LJQANCHMSA-N -1 0 343.379 3.558 20 0 EHADRM CC(C)[C@H](Cc1ccccc1)NC(=O)CCc1ccccc1C(=O)[O-] ZINC000910538572 981987531 /nfs/dbraw/zinc/98/75/31/981987531.db2.gz ISEKDLKMXSYSKO-IBGZPJMESA-N -1 0 339.435 3.701 20 0 EHADRM CCCC[C@H](S[C@H](C)C(=O)Nc1ccc(F)cc1F)C(=O)[O-] ZINC001595651114 982017279 /nfs/dbraw/zinc/01/72/79/982017279.db2.gz BZULKRQCYIHQJY-RNCFNFMXSA-N -1 0 331.384 3.668 20 0 EHADRM CCCC[C@H](S[C@@H](C(=O)N1CCc2ccccc21)C(C)C)C(=O)[O-] ZINC001595652737 982035859 /nfs/dbraw/zinc/03/58/59/982035859.db2.gz XBRGYNCTAFRZMC-DLBZAZTESA-N -1 0 349.496 3.977 20 0 EHADRM CC[C@@H](C)n1ncc(NC(=O)C23CCC(C(=O)[O-])(CC2)C3)c1C1CC1 ZINC000910648269 982039331 /nfs/dbraw/zinc/03/93/31/982039331.db2.gz FOVVUMVNDPJXER-PIHIASKNSA-N -1 0 345.443 3.705 20 0 EHADRM CC[C@@H](C)n1ncc(NC(=O)Cc2ccc(C(=O)[O-])cc2)c1C1CC1 ZINC000910648596 982040445 /nfs/dbraw/zinc/04/04/45/982040445.db2.gz LCNBCTSCFJZIKK-GFCCVEGCSA-N -1 0 341.411 3.611 20 0 EHADRM CCCCn1ncc(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)c1C(C)C ZINC000910656941 982044682 /nfs/dbraw/zinc/04/46/82/982044682.db2.gz RPASHKKTDXDQBR-UHFFFAOYSA-N -1 0 347.459 3.780 20 0 EHADRM CCCC[C@@H](Sc1ccnc(Cc2ccc(F)cc2)n1)C(=O)[O-] ZINC001595657022 982058885 /nfs/dbraw/zinc/05/88/85/982058885.db2.gz GOWVJHWLACLXNH-CQSZACIVSA-N -1 0 334.416 3.942 20 0 EHADRM Cc1cc(F)c(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)cc1F ZINC000910697819 982068958 /nfs/dbraw/zinc/06/89/58/982068958.db2.gz UTJUFKBGNXXYNX-UHFFFAOYSA-N -1 0 340.351 3.804 20 0 EHADRM CCCC[C@H]1CCC[C@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001595660463 982070299 /nfs/dbraw/zinc/07/02/99/982070299.db2.gz FRUANNTUHPPTLA-GXTWGEPZSA-N -1 0 334.416 3.874 20 0 EHADRM CCCCC1CCC(CNC(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)CC1 ZINC001595660852 982073089 /nfs/dbraw/zinc/07/30/89/982073089.db2.gz MZYDOKJIOQHLFO-QAVIERHMSA-N -1 0 338.492 3.735 20 0 EHADRM CCCCC1CCC(C(=O)NCc2ccc(CC(=O)[O-])cc2)CC1 ZINC001595661190 982074762 /nfs/dbraw/zinc/07/47/62/982074762.db2.gz QVTSFZMOXUAHMJ-UHFFFAOYSA-N -1 0 331.456 3.927 20 0 EHADRM CCCCC1CCC(NC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)CC1 ZINC001595661182 982075073 /nfs/dbraw/zinc/07/50/73/982075073.db2.gz QRXQVKHHSVJNQZ-BYQWBFQQSA-N -1 0 336.476 3.534 20 0 EHADRM CCC[C@H](C(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1)c1ccccn1 ZINC000910707360 982076556 /nfs/dbraw/zinc/07/65/56/982076556.db2.gz XTJRIQXXHZQSKG-NSHDSACASA-N -1 0 347.440 3.882 20 0 EHADRM CCc1ccc(C(=O)N2CCC[C@@H]2c2nc(C(=O)[O-])c(C)s2)cc1 ZINC000910720722 982083226 /nfs/dbraw/zinc/08/32/26/982083226.db2.gz BLAVGTUJHWHIDB-CQSZACIVSA-N -1 0 344.436 3.689 20 0 EHADRM CCOc1cc(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)ccc1C ZINC000910731409 982094488 /nfs/dbraw/zinc/09/44/88/982094488.db2.gz IJTFYERAJCQTBO-UHFFFAOYSA-N -1 0 346.408 3.678 20 0 EHADRM Cc1ccc(SCC(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)cc1 ZINC000910733328 982095213 /nfs/dbraw/zinc/09/52/13/982095213.db2.gz BRLSXTPCZRYAKP-UHFFFAOYSA-N -1 0 348.449 3.758 20 0 EHADRM Cc1ccc(C)c(CC(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)c1 ZINC000910733830 982097101 /nfs/dbraw/zinc/09/71/01/982097101.db2.gz CXJSIHWFGXNWHS-UHFFFAOYSA-N -1 0 330.409 3.517 20 0 EHADRM CCCCC[C@@H](NC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001595669358 982113492 /nfs/dbraw/zinc/11/34/92/982113492.db2.gz HKENFKNONDONDP-BXUZGUMPSA-N -1 0 345.361 3.959 20 0 EHADRM CCCCC[C@H](CC)C(=O)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001595669759 982114117 /nfs/dbraw/zinc/11/41/17/982114117.db2.gz INNFXQHBXLAKJA-JCGIZDLHSA-N -1 0 347.455 3.625 20 0 EHADRM CC[C@H](C)[C@H](C(=O)Nc1cc(C)c(C(=O)[O-])cn1)c1ccccc1 ZINC001594865503 982167459 /nfs/dbraw/zinc/16/74/59/982167459.db2.gz IJLGFQSGNWIUBE-SJCJKPOMSA-N -1 0 326.396 3.857 20 0 EHADRM CC[C@@H]1C[C@H]1C(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC000910951640 982174155 /nfs/dbraw/zinc/17/41/55/982174155.db2.gz JXYRLVCTPCFICL-IUODEOHRSA-N -1 0 340.423 3.618 20 0 EHADRM CC[C@H](C)[C@@H](C(=O)OCc1cccc(C(=O)[O-])n1)c1ccccc1 ZINC001594873827 982196729 /nfs/dbraw/zinc/19/67/29/982196729.db2.gz QDFVLOPGVDTACZ-SUMWQHHRSA-N -1 0 327.380 3.653 20 0 EHADRM CC(C)CCCCCC(=O)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC000911033154 982198402 /nfs/dbraw/zinc/19/84/02/982198402.db2.gz AOEUWPDYJAVAME-CYBMUJFWSA-N -1 0 338.473 3.764 20 0 EHADRM CC(C)c1ccc(C(=O)N2CC[C@H](c3ncc(C(=O)[O-])s3)C2)cc1 ZINC000911034190 982199575 /nfs/dbraw/zinc/19/95/75/982199575.db2.gz JVAOQFZSTLIWNT-AWEZNQCLSA-N -1 0 344.436 3.594 20 0 EHADRM O=C([O-])c1cnc([C@H]2CCN(C(=O)CCC3CCCCC3)C2)s1 ZINC000911038754 982204877 /nfs/dbraw/zinc/20/48/77/982204877.db2.gz NCBLCEWMBFQYFI-ZDUSSCGKSA-N -1 0 336.457 3.518 20 0 EHADRM CC[C@H](C)[C@H](C)N(C(=O)NCc1ccc(C(=O)[O-])c(OC)c1)C1CC1 ZINC001594881014 982233223 /nfs/dbraw/zinc/23/32/23/982233223.db2.gz KPMZXPYWLZJLCX-STQMWFEESA-N -1 0 348.443 3.502 20 0 EHADRM CC[C@H](C)[C@H](C)C(=O)Oc1ccc(Br)cc1C(=O)[O-] ZINC001594882447 982248527 /nfs/dbraw/zinc/24/85/27/982248527.db2.gz XDVFOUSXUBMVDL-IUCAKERBSA-N -1 0 329.190 3.735 20 0 EHADRM CCCCCC[C@@H](C)NC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001595698666 982253081 /nfs/dbraw/zinc/25/30/81/982253081.db2.gz UBYANNUOUNYVOG-OXQOHEQNSA-N -1 0 346.471 3.783 20 0 EHADRM O=C([O-])Cc1occc1C(=O)Nc1ccccc1N1CCCCCC1 ZINC000911151054 982260296 /nfs/dbraw/zinc/26/02/96/982260296.db2.gz FOINSPHSGHKQEM-UHFFFAOYSA-N -1 0 342.395 3.539 20 0 EHADRM CCCCCC[C@@H](O)CCC(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC001595703290 982269411 /nfs/dbraw/zinc/26/94/11/982269411.db2.gz SOJCCBDEHNAMEY-JKSUJKDBSA-N -1 0 347.455 3.703 20 0 EHADRM CCCCCCO[C@@H](C)C(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC001595711206 982298425 /nfs/dbraw/zinc/29/84/25/982298425.db2.gz RNJKLGDQGJPXJD-AWEZNQCLSA-N -1 0 333.428 3.649 20 0 EHADRM CCCCCc1ccc(NC(=O)NC2(CC(=O)[O-])CCOCC2)cc1 ZINC001595728086 982358821 /nfs/dbraw/zinc/35/88/21/982358821.db2.gz RCFDAJXAWJXTKQ-UHFFFAOYSA-N -1 0 348.443 3.565 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)Cc1ccc(C2CCCCC2)cc1)C(=O)[O-] ZINC001594908575 982400654 /nfs/dbraw/zinc/40/06/54/982400654.db2.gz IILYUFFFRCKQME-IFXJQAMLSA-N -1 0 331.456 3.892 20 0 EHADRM CCCCN(C)c1ccc(NC(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1 ZINC001595741316 982402348 /nfs/dbraw/zinc/40/23/48/982402348.db2.gz JOOILSUJCWPLGX-UHFFFAOYSA-N -1 0 344.415 3.604 20 0 EHADRM O=C([O-])C12CCC(C(=O)NC[C@@H]3CCC[C@H](C(F)(F)F)C3)(CC1)C2 ZINC000911391097 982414692 /nfs/dbraw/zinc/41/46/92/982414692.db2.gz USTVMFNUWSRCSW-XQOMNBSISA-N -1 0 347.377 3.506 20 0 EHADRM O=C([O-])C12CCC(C(=O)NC[C@H]3CCC[C@@H](C(F)(F)F)C3)(CC1)C2 ZINC000911391098 982415062 /nfs/dbraw/zinc/41/50/62/982415062.db2.gz USTVMFNUWSRCSW-YNQUZJHLSA-N -1 0 347.377 3.506 20 0 EHADRM CCCCN(Cc1ccccc1F)C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001595747934 982416767 /nfs/dbraw/zinc/41/67/67/982416767.db2.gz NBMGKHVUOFHEPB-PKNBQFBNSA-N -1 0 345.370 3.959 20 0 EHADRM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccccc3F)cc2)co1 ZINC000029433341 1014841207 /nfs/dbraw/zinc/84/12/07/1014841207.db2.gz QFQHFFGJSNGSTR-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1cc(C(=O)[O-])co1 ZINC000911494685 982455065 /nfs/dbraw/zinc/45/50/65/982455065.db2.gz WFSDUXGVKFUHHO-ZDUSSCGKSA-N -1 0 342.395 3.917 20 0 EHADRM O=S(=O)([N-]c1ccc2c(c1)CCO2)c1cc(Cl)ccc1Cl ZINC000026543567 1014843256 /nfs/dbraw/zinc/84/32/56/1014843256.db2.gz ZJSUPONDEIUVDM-UHFFFAOYSA-N -1 0 344.219 3.729 20 0 EHADRM CCCCNc1ccccc1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001595763667 982473633 /nfs/dbraw/zinc/47/36/33/982473633.db2.gz PTPGYDSIJNVLCV-UHFFFAOYSA-N -1 0 342.395 3.614 20 0 EHADRM CCCCO[C@@H](C)C(=O)O[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001595766127 982495237 /nfs/dbraw/zinc/49/52/37/982495237.db2.gz XHLAOYUNMDQABB-GXFFZTMASA-N -1 0 348.317 3.737 20 0 EHADRM CCCCO[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(C(=O)[O-])cc2)C1(C)C ZINC001595766234 982496440 /nfs/dbraw/zinc/49/64/40/982496440.db2.gz ZHMCECHRGNVOLN-JKSUJKDBSA-N -1 0 348.443 3.832 20 0 EHADRM CCCC[C@H](C)C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC000911598663 982531348 /nfs/dbraw/zinc/53/13/48/982531348.db2.gz MSRHYIUJXYIEHO-AWEZNQCLSA-N -1 0 332.444 3.614 20 0 EHADRM O=C([O-])c1cccc(NC2CCN(C(=O)C3CCC=CCC3)CC2)c1 ZINC000911599049 982532255 /nfs/dbraw/zinc/53/22/55/982532255.db2.gz OCBXJTFARWLYGJ-UHFFFAOYSA-N -1 0 342.439 3.534 20 0 EHADRM CCCCOc1ccc(CNc2ccc(C(=O)[O-])nn2)cc1Cl ZINC001595775409 982534749 /nfs/dbraw/zinc/53/47/49/982534749.db2.gz COADASYRSYFJHE-UHFFFAOYSA-N -1 0 335.791 3.619 20 0 EHADRM CC[C@@H](C)[C@H](Sc1nc(-c2ccccc2)c(C)c(=O)[nH]1)C(=O)[O-] ZINC001594928789 982542845 /nfs/dbraw/zinc/54/28/45/982542845.db2.gz MTBTUAQNHPMPMD-YGRLFVJLSA-N -1 0 332.425 3.749 20 0 EHADRM CC[C@H](C)[C@@H](Sc1nnc2n1c1ccccc1n2C(C)C)C(=O)[O-] ZINC001594928928 982544273 /nfs/dbraw/zinc/54/42/73/982544273.db2.gz PLFVSNFYHGWJGM-SMDDNHRTSA-N -1 0 346.456 3.856 20 0 EHADRM O=C([O-])C12CCC(C(=O)NC[C@H]3CCC[C@@H]3c3ccccc3)(CC1)C2 ZINC000911664949 982593107 /nfs/dbraw/zinc/59/31/07/982593107.db2.gz OBWPYNLSCMMDJC-FBIZOPLVSA-N -1 0 341.451 3.722 20 0 EHADRM C[C@@H](NC(=O)C12CCC(C(=O)[O-])(CC1)C2)c1cc2ccccc2o1 ZINC000911691503 982602270 /nfs/dbraw/zinc/60/22/70/982602270.db2.gz JBASBYGNVBIZKJ-PIHIASKNSA-N -1 0 327.380 3.645 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000911717112 982610981 /nfs/dbraw/zinc/61/09/81/982610981.db2.gz DUTXAONYBPDXNV-UHFFFAOYSA-N -1 0 341.810 3.674 20 0 EHADRM CC[C@@H](C)C[C@H](NC(=O)CSc1ccc2ccccc2c1)C(=O)[O-] ZINC001594942006 982616686 /nfs/dbraw/zinc/61/66/86/982616686.db2.gz IWECHPHIHHRKJU-DYVFJYSZSA-N -1 0 345.464 3.938 20 0 EHADRM COCc1csc(C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)c1 ZINC000911734006 982618567 /nfs/dbraw/zinc/61/85/67/982618567.db2.gz MOBZXSNQAPODIK-UHFFFAOYSA-N -1 0 349.408 3.632 20 0 EHADRM CC(C)Oc1c(NC(=O)CCc2ccsc2)cccc1C(=O)[O-] ZINC000911738586 982621607 /nfs/dbraw/zinc/62/16/07/982621607.db2.gz FFPFVIDLCGYORE-UHFFFAOYSA-N -1 0 333.409 3.805 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)c1cc2ccnc(Cl)c2s1)C(=O)[O-] ZINC001594944853 982629261 /nfs/dbraw/zinc/62/92/61/982629261.db2.gz JRXICVNSMCEABU-PSASIEDQSA-N -1 0 340.832 3.569 20 0 EHADRM CC[C@@H](C)C[C@@H](NC(=O)c1ccc(-c2ccncc2)c(F)c1)C(=O)[O-] ZINC001594946211 982639856 /nfs/dbraw/zinc/63/98/56/982639856.db2.gz LZRPDTHISMWAPT-SJKOYZFVSA-N -1 0 344.386 3.507 20 0 EHADRM CCC(CC)Oc1ccc(C(=O)N[C@H](C[C@@H](C)CC)C(=O)[O-])cc1 ZINC001594947012 982645858 /nfs/dbraw/zinc/64/58/58/982645858.db2.gz WNJBGZZLXLKBLL-SUMWQHHRSA-N -1 0 335.444 3.873 20 0 EHADRM CCCN(C(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1)[C@@H](C)C(=O)[O-] ZINC001595813021 982652461 /nfs/dbraw/zinc/65/24/61/982652461.db2.gz GIQDNNVIDOMFAI-NEPJUHHUSA-N -1 0 345.361 3.596 20 0 EHADRM O=C([O-])c1cc(NC(=O)/C=C/c2nc3ccccc3s2)ccc1F ZINC000914729560 982655555 /nfs/dbraw/zinc/65/55/55/982655555.db2.gz LGOZDWZHANQCIT-BQYQJAHWSA-N -1 0 342.351 3.786 20 0 EHADRM CCCN(C(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)[O-] ZINC001595814206 982658320 /nfs/dbraw/zinc/65/83/20/982658320.db2.gz PODHLVLVYRYTLU-QWRGUYRKSA-N -1 0 346.254 3.884 20 0 EHADRM CCCN(C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)[O-] ZINC001595814272 982658685 /nfs/dbraw/zinc/65/86/85/982658685.db2.gz QMYQXQPFMMFGBJ-UWVGGRQHSA-N -1 0 332.227 3.809 20 0 EHADRM CCCN(C(=O)/C=C(/C)c1ccc(C(F)(F)F)cc1)[C@H](C)C(=O)[O-] ZINC001595816387 982671935 /nfs/dbraw/zinc/67/19/35/982671935.db2.gz HYNYWSOBJVRFFC-NLYDNYMLSA-N -1 0 343.345 3.820 20 0 EHADRM CCCN(C(=O)NCC(C)(C)CC(=O)[O-])[C@H]1CCc2ccccc21 ZINC001595820681 982687024 /nfs/dbraw/zinc/68/70/24/982687024.db2.gz ICLWJHLFFGCUTF-INIZCTEOSA-N -1 0 332.444 3.596 20 0 EHADRM CC(C)(C)Oc1ccc(CNC(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000920468954 982693026 /nfs/dbraw/zinc/69/30/26/982693026.db2.gz CJUVNQASULZLGF-UHFFFAOYSA-N -1 0 333.409 3.554 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000923047298 982698456 /nfs/dbraw/zinc/69/84/56/982698456.db2.gz FJHOJCNFHREHOS-CXAGYDPISA-N -1 0 349.427 3.562 20 0 EHADRM CC[C@H](C)CCCCC(=O)N1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC001594958948 982702509 /nfs/dbraw/zinc/70/25/09/982702509.db2.gz IJSGPAJIFFADCA-AWEZNQCLSA-N -1 0 347.455 3.885 20 0 EHADRM CCCN(C(=O)c1cn(CC(C)C)c2ccccc12)[C@@H](C)C(=O)[O-] ZINC001595829841 982715321 /nfs/dbraw/zinc/71/53/21/982715321.db2.gz FFBINAXVXWLQIU-AWEZNQCLSA-N -1 0 330.428 3.623 20 0 EHADRM CCc1c(C(=O)Nc2cc(C(=O)[O-])sc2C)cnn1C1CCCC1 ZINC000923094387 982718806 /nfs/dbraw/zinc/71/88/06/982718806.db2.gz HDZXBGNSMCXQIM-UHFFFAOYSA-N -1 0 347.440 3.881 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)c1cn(C)nc1C1CCCCC1 ZINC000923094711 982719394 /nfs/dbraw/zinc/71/93/94/982719394.db2.gz ONNMHCOQBZJODS-UHFFFAOYSA-N -1 0 347.440 3.788 20 0 EHADRM Cc1sc(C(=O)[O-])cc1NC(=O)c1ccc(N2CCCCC2)cc1 ZINC000923097335 982721716 /nfs/dbraw/zinc/72/17/16/982721716.db2.gz ZLFLXRQBGDRFMI-UHFFFAOYSA-N -1 0 344.436 3.997 20 0 EHADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 ZINC001594977332 982755679 /nfs/dbraw/zinc/75/56/79/982755679.db2.gz KXNPLXXLRVVEQM-QWHCGFSZSA-N -1 0 342.439 3.618 20 0 EHADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1sc(-c2ccc(C)cc2)nc1C ZINC001594978193 982758961 /nfs/dbraw/zinc/75/89/61/982758961.db2.gz KBNSYKNIQGNDMS-LBPRGKRZSA-N -1 0 346.452 3.752 20 0 EHADRM CC[C@H](C)N(CCc1ccccc1F)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001594983625 982787644 /nfs/dbraw/zinc/78/76/44/982787644.db2.gz HUZIEQGBYUHZLH-UAGQMJEPSA-N -1 0 349.446 3.886 20 0 EHADRM CC[C@H](C)N(CCc1ccccc1F)C(=O)c1ccc(C(=O)[O-])o1 ZINC001594985174 982797491 /nfs/dbraw/zinc/79/74/91/982797491.db2.gz IKYBKHLSGHOWPT-LBPRGKRZSA-N -1 0 333.359 3.600 20 0 EHADRM CC[C@@H](C)Oc1cc(SCc2ccccc2C(=O)[O-])nc(C)n1 ZINC001594999211 982905455 /nfs/dbraw/zinc/90/54/55/982905455.db2.gz BHCMZISUKNIFLX-LLVKDONJSA-N -1 0 332.425 3.953 20 0 EHADRM CCCN(Cc1ccc(F)cc1)C(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001595887641 982915030 /nfs/dbraw/zinc/91/50/30/982915030.db2.gz AETPJYIPKVQZHM-CSKARUKUSA-N -1 0 331.343 3.569 20 0 EHADRM CCCN(Cc1ccc(C)cc1)C(=O)Nc1cccc(C(=O)[O-])n1 ZINC001595887636 982915343 /nfs/dbraw/zinc/91/53/43/982915343.db2.gz ABJRHHAHJPODMW-UHFFFAOYSA-N -1 0 327.384 3.532 20 0 EHADRM CC[C@@H](C)c1ccc(C(=O)NCc2ccc(C(=O)[O-])c(OC)c2)cc1 ZINC001595009547 982935522 /nfs/dbraw/zinc/93/55/22/982935522.db2.gz IPXBGCUHNAXNKU-CYBMUJFWSA-N -1 0 341.407 3.837 20 0 EHADRM Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001116788926 982935916 /nfs/dbraw/zinc/93/59/16/982935916.db2.gz OKCKLXPIFSRSLQ-UHFFFAOYSA-N -1 0 336.347 3.909 20 0 EHADRM O=C([O-])CCCCNC(=O)c1ccc(Oc2ccc(Cl)cn2)cc1 ZINC001119598419 983001036 /nfs/dbraw/zinc/00/10/36/983001036.db2.gz PDEKEKRRPXAUIF-UHFFFAOYSA-N -1 0 348.786 3.512 20 0 EHADRM CCCOC1(c2noc(-c3cccc(CC(=O)[O-])c3)n2)CCCCC1 ZINC001595941923 983096014 /nfs/dbraw/zinc/09/60/14/983096014.db2.gz MMVCBRJBTVWBJU-UHFFFAOYSA-N -1 0 344.411 3.950 20 0 EHADRM CCCOC1(CNC(=O)c2cc(C)cc(C(=O)[O-])c2)CCCCC1 ZINC001595942378 983097736 /nfs/dbraw/zinc/09/77/36/983097736.db2.gz SRVVYPZRTDIXTP-UHFFFAOYSA-N -1 0 333.428 3.553 20 0 EHADRM CCCOC1(CNC(=O)CC2(CC(=O)[O-])CCCC2)CCCCC1 ZINC001595942233 983097789 /nfs/dbraw/zinc/09/77/89/983097789.db2.gz RGSBAHXRCCJAGX-UHFFFAOYSA-N -1 0 339.476 3.657 20 0 EHADRM CCCOc1ccc(NCC(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC001595966606 983173717 /nfs/dbraw/zinc/17/37/17/983173717.db2.gz LOXOHIRSMANFFJ-UHFFFAOYSA-N -1 0 342.395 3.533 20 0 EHADRM CCC[C@H](NC(=O)C1(c2c(Cl)cccc2Cl)CCC1)C(=O)[O-] ZINC001596015596 983277292 /nfs/dbraw/zinc/27/72/92/983277292.db2.gz MYNWTHFWHQHQTE-LBPRGKRZSA-N -1 0 344.238 3.785 20 0 EHADRM CCCc1[nH]ccc1C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001596026733 983290385 /nfs/dbraw/zinc/29/03/85/983290385.db2.gz OZFBHVHIIDQOTJ-UHFFFAOYSA-N -1 0 332.425 3.786 20 0 EHADRM CCCc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)ccc1Cl ZINC001596052619 983353022 /nfs/dbraw/zinc/35/30/22/983353022.db2.gz FMMZDMNMNSBSAB-MRXNPFEDSA-N -1 0 349.789 3.987 20 0 EHADRM CCCc1cc(C(=O)N(CCC(=O)[O-])CC(C)C)ccc1Cl ZINC001596052908 983353813 /nfs/dbraw/zinc/35/38/13/983353813.db2.gz KNKRPPMFFJZCSW-UHFFFAOYSA-N -1 0 325.836 3.865 20 0 EHADRM CCCc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(C)c2)cc1 ZINC001596060383 983368714 /nfs/dbraw/zinc/36/87/14/983368714.db2.gz FOUWPRLIPQXSBA-SFHVURJKSA-N -1 0 325.408 3.893 20 0 EHADRM CCCc1nc(C)c(COc2cc(/C=C/C(=O)[O-])ccc2OC)o1 ZINC001596083148 983404328 /nfs/dbraw/zinc/40/43/28/983404328.db2.gz IHCTXGAAVCXNFO-VQHVLOKHSA-N -1 0 331.368 3.621 20 0 EHADRM CCCn1cc(C(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)c(C)n1 ZINC001596112199 983441311 /nfs/dbraw/zinc/44/13/11/983441311.db2.gz URGYXTYOGLFMDH-INIZCTEOSA-N -1 0 349.475 3.535 20 0 EHADRM CCCn1nc(C)c(/C=C\c2nc(Cl)c(C(=O)[O-])s2)c1C ZINC001596120842 983456748 /nfs/dbraw/zinc/45/67/48/983456748.db2.gz HOGJZALVMFBDRZ-WAYWQWQTSA-N -1 0 325.821 3.888 20 0 EHADRM CCCn1ncc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1C1CC1 ZINC001596121488 983458911 /nfs/dbraw/zinc/45/89/11/983458911.db2.gz XEPHHMVYTZCILI-UHFFFAOYSA-N -1 0 347.802 3.774 20 0 EHADRM CCN(C(=O)[C@@H](C)c1ccc(F)c(F)c1)c1ccccc1C(=O)[O-] ZINC001596130663 983476012 /nfs/dbraw/zinc/47/60/12/983476012.db2.gz ABHOQGFGZRFEAH-NSHDSACASA-N -1 0 333.334 3.820 20 0 EHADRM CCN(C(=O)Cc1ccccc1C(=O)[O-])c1ccc(Cl)cc1F ZINC001596148064 983503930 /nfs/dbraw/zinc/50/39/30/983503930.db2.gz OOFQELRVOSYALG-UHFFFAOYSA-N -1 0 335.762 3.773 20 0 EHADRM CCN(C(=O)c1cc(C2CC2)[nH]c1C1CC1)c1ncc(C(=O)[O-])s1 ZINC001596164880 983528351 /nfs/dbraw/zinc/52/83/51/983528351.db2.gz WGSCKKSJVGPVDZ-UHFFFAOYSA-N -1 0 345.424 3.591 20 0 EHADRM CCN(C(=O)c1ccc(C(=O)[O-])c(F)c1)[C@@H](C)Cc1ccsc1 ZINC001596165606 983529991 /nfs/dbraw/zinc/52/99/91/983529991.db2.gz VUFVTRIVDPVTJI-NSHDSACASA-N -1 0 335.400 3.679 20 0 EHADRM CCN(C(=O)c1ccoc1CC(=O)[O-])c1cccc(Cl)c1Cl ZINC001596170345 983535155 /nfs/dbraw/zinc/53/51/55/983535155.db2.gz BMWTYOGCHWRQIA-UHFFFAOYSA-N -1 0 342.178 3.880 20 0 EHADRM CCN(C(=O)c1cscc1C(F)F)c1ncc(C(=O)[O-])s1 ZINC001596172696 983537691 /nfs/dbraw/zinc/53/76/91/983537691.db2.gz CIBYTZVZBPTOHZ-UHFFFAOYSA-N -1 0 332.353 3.507 20 0 EHADRM CCN(CC(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1Cl ZINC001596209578 983600716 /nfs/dbraw/zinc/60/07/16/983600716.db2.gz NSNXHVGNPLBMBJ-UHFFFAOYSA-N -1 0 332.787 3.503 20 0 EHADRM CCN(CC(=O)[O-])C(=O)CCCCc1ccc(Cl)c(Cl)c1 ZINC001596215209 983608139 /nfs/dbraw/zinc/60/81/39/983608139.db2.gz UFCXYEJNDRDGPK-UHFFFAOYSA-N -1 0 332.227 3.639 20 0 EHADRM Cc1ccc(C(C)(C)CNC(=O)c2cc(F)c(F)c([O-])c2F)cc1 ZINC000185847966 1014964455 /nfs/dbraw/zinc/96/44/55/1014964455.db2.gz KGYUERRQYZDSBQ-UHFFFAOYSA-N -1 0 337.341 3.826 20 0 EHADRM CCN(CC)C(=O)N[C@H](CC(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC001596249079 983652290 /nfs/dbraw/zinc/65/22/90/983652290.db2.gz PNLCWCWVGPCMJP-GOSISDBHSA-N -1 0 340.423 3.921 20 0 EHADRM CCN(Cc1c(F)cccc1F)[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001596354153 983814023 /nfs/dbraw/zinc/81/40/23/983814023.db2.gz ARMJGRGZKJPHEM-SECBINFHSA-N -1 0 326.368 3.703 20 0 EHADRM CCN(Cc1cc(C(=O)[O-])ccc1Cl)[C@@H](C)C(=O)OC(C)(C)C ZINC001596354471 983818871 /nfs/dbraw/zinc/81/88/71/983818871.db2.gz SMHVWSOVGIOHHY-NSHDSACASA-N -1 0 341.835 3.590 20 0 EHADRM C[C@H]([N-]C(=O)C(F)(F)C(F)F)c1ccc(Br)cc1 ZINC000175748541 1015018696 /nfs/dbraw/zinc/01/86/96/1015018696.db2.gz RDWZCQQQFNVTTF-LURJTMIESA-N -1 0 328.103 3.527 20 0 EHADRM CCNc1ccc(Cl)cc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC001596504419 984259187 /nfs/dbraw/zinc/25/91/87/984259187.db2.gz PWDXBDGPNLZEBH-UHFFFAOYSA-N -1 0 332.787 3.651 20 0 EHADRM CN(C)c1ccc(NC(=O)c2c([O-])cc(F)cc2F)cc1Cl ZINC000066048105 1015020845 /nfs/dbraw/zinc/02/08/45/1015020845.db2.gz BYRUTEMJSPHKBB-UHFFFAOYSA-N -1 0 326.730 3.642 20 0 EHADRM CCOC(=O)CCS[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001596614051 984579179 /nfs/dbraw/zinc/57/91/79/984579179.db2.gz XTTKRYTUOZKUMG-GFCCVEGCSA-N -1 0 337.224 3.806 20 0 EHADRM C/C(=C\C(=O)N[C@@H](C(=O)[O-])c1cc(C)cc(C)c1)c1cccs1 ZINC001588938609 984623013 /nfs/dbraw/zinc/62/30/13/984623013.db2.gz DFFQZTIPWXICFB-JIIJFUIFSA-N -1 0 329.421 3.710 20 0 EHADRM C/C(=C\C(=O)N[C@H](CC(=O)[O-])c1cccc(C)c1)c1cccs1 ZINC001588939630 984630146 /nfs/dbraw/zinc/63/01/46/984630146.db2.gz QSWUGHGIAMKFQD-NRMKIYEFSA-N -1 0 329.421 3.792 20 0 EHADRM C[C@H](C(=O)[O-])N(C)c1ccnc2c(Cl)cc(Br)cc21 ZINC001599886473 984642851 /nfs/dbraw/zinc/64/28/51/984642851.db2.gz FFOJGQPZFFRVSJ-SSDOTTSWSA-N -1 0 343.608 3.560 20 0 EHADRM C/C(=C\C(=O)Nc1ccc(OCCC(=O)[O-])cc1)c1cccs1 ZINC001588944267 984646733 /nfs/dbraw/zinc/64/67/33/984646733.db2.gz UOBIGCBSOXNGPZ-VAWYXSNFSA-N -1 0 331.393 3.644 20 0 EHADRM C[C@H](CC1CCCCC1)C(=O)N1CCOc2ccccc2[C@@H]1C(=O)[O-] ZINC001599890758 984691224 /nfs/dbraw/zinc/69/12/24/984691224.db2.gz BLIOZKFAMOTISN-RDTXWAMCSA-N -1 0 345.439 3.640 20 0 EHADRM C/C(=C/C1CCC(C)CC1)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001588956527 984705360 /nfs/dbraw/zinc/70/53/60/984705360.db2.gz RYSWVBLBCJXFNB-XWUWBXLFSA-N -1 0 341.451 3.970 20 0 EHADRM C[C@H](NC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1)C1CCCCCC1 ZINC001599893193 984720988 /nfs/dbraw/zinc/72/09/88/984720988.db2.gz BGRODEFRXFTLPL-NQYLQCIDSA-N -1 0 329.440 3.720 20 0 EHADRM C[C@H](NCc1cncc(C(=O)[O-])c1)c1ccc(Cl)cc1Cl ZINC001599901879 984848946 /nfs/dbraw/zinc/84/89/46/984848946.db2.gz SOBVHOJRJOCNQE-VIFPVBQESA-N -1 0 325.195 3.937 20 0 EHADRM C[C@H](OC(=O)C1(c2ccc(F)cc2)CC1)c1ccc(C(=O)[O-])cc1 ZINC001599904842 984908444 /nfs/dbraw/zinc/90/84/44/984908444.db2.gz HNSRAALLYVDSDR-LBPRGKRZSA-N -1 0 328.339 3.860 20 0 EHADRM C/C(=C\c1c(Cl)cccc1Cl)C(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001588994983 984921014 /nfs/dbraw/zinc/92/10/14/984921014.db2.gz CGRDPFWPXGFXPH-ODEDPACMSA-N -1 0 342.222 3.766 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC001588995115 984921049 /nfs/dbraw/zinc/92/10/49/984921049.db2.gz DNXGNASTJLMAQM-WTQUMQLASA-N -1 0 329.440 3.796 20 0 EHADRM C/C(=C\c1c(Cl)cccc1Cl)C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC001588995431 984923442 /nfs/dbraw/zinc/92/34/42/984923442.db2.gz JUOOCEHHONMPKV-BUUCAEBMSA-N -1 0 330.211 3.622 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)NCCCCC1(C(=O)[O-])CCC1 ZINC001588995421 984923754 /nfs/dbraw/zinc/92/37/54/984923754.db2.gz JHGUWXJOJYVXRH-JQIJEIRASA-N -1 0 329.440 3.940 20 0 EHADRM C/C(=C/c1ccc(C)cc1)C(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001588995591 984925777 /nfs/dbraw/zinc/92/57/77/984925777.db2.gz NDHPXGMXJQNESY-SLYOHQAMSA-N -1 0 349.430 3.653 20 0 EHADRM C[C@H](Oc1ccc2ccccc2c1)C(=O)OCc1ccoc1C(=O)[O-] ZINC001599906225 984926287 /nfs/dbraw/zinc/92/62/87/984926287.db2.gz WWVNYZBOJUQMBQ-LBPRGKRZSA-N -1 0 340.331 3.642 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)Cc2c[nH]c3cccc(Cl)c23)(C(=O)[O-])CC1 ZINC001599907146 984938208 /nfs/dbraw/zinc/93/82/08/984938208.db2.gz JHXMRESAOYKLDQ-CKSWESSHSA-N -1 0 348.830 3.514 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N1CCc2ccc(C(=O)[O-])cc21 ZINC001588999604 984938889 /nfs/dbraw/zinc/93/88/89/984938889.db2.gz XIAFXBYFVNRFHG-ZRDIBKRKSA-N -1 0 325.339 3.517 20 0 EHADRM C[C@H]1CC[C@@](NC(=O)CCCc2ccccc2Cl)(C(=O)[O-])CC1 ZINC001599907903 984947461 /nfs/dbraw/zinc/94/74/61/984947461.db2.gz HGOUXPNVESMSGV-KTXOBNNYSA-N -1 0 337.847 3.812 20 0 EHADRM C[C@H]1CC[C@@](C)(CNC(=O)NCc2ccccc2CC(=O)[O-])C1(C)C ZINC001599907922 984947630 /nfs/dbraw/zinc/94/76/30/984947630.db2.gz HSXPQYYVEACORR-XOBRGWDASA-N -1 0 346.471 3.575 20 0 EHADRM C/C(=C/c1ccccc1)CN(C)C(=O)c1ccsc1CC(=O)[O-] ZINC001589003666 984954817 /nfs/dbraw/zinc/95/48/17/984954817.db2.gz HHHLEDYFMMMVIP-RAXLEYEMSA-N -1 0 329.421 3.551 20 0 EHADRM C/C(=C\c1ccncc1)C(=O)Nc1cc(F)cc(Cl)c1C(=O)[O-] ZINC001589010809 984983134 /nfs/dbraw/zinc/98/31/34/984983134.db2.gz JWQLPBRKVIEOOE-RMKNXTFCSA-N -1 0 334.734 3.614 20 0 EHADRM CCOC(=O)c1cccc(SCCc2ccccc2C(=O)[O-])c1 ZINC001596730297 984993348 /nfs/dbraw/zinc/99/33/48/984993348.db2.gz CPUUFTWSIQUWBI-UHFFFAOYSA-N -1 0 330.405 3.896 20 0 EHADRM CC(=O)N(c1ccc(NCc2ccsc2C(=O)[O-])cc1)[C@H]1C[C@H]1C ZINC001589051474 985139466 /nfs/dbraw/zinc/13/94/66/985139466.db2.gz ILBVQEDKWRVMQI-BZNIZROVSA-N -1 0 344.436 3.820 20 0 EHADRM CCO[C@@H](C)c1ncc(C(=O)Nc2cc(C)sc2C(=O)[O-])s1 ZINC001596776091 985211155 /nfs/dbraw/zinc/21/11/55/985211155.db2.gz GPGUAZMVMJFGPZ-QMMMGPOBSA-N -1 0 340.426 3.561 20 0 EHADRM CCO[C@H](C)c1nc(CN[C@H](C(=O)[O-])c2cc(C)cc(C)c2)cs1 ZINC001596776821 985217292 /nfs/dbraw/zinc/21/72/92/985217292.db2.gz PEDIQEONPCFMFF-CJNGLKHVSA-N -1 0 348.468 3.773 20 0 EHADRM CCO[C@@H]1C[C@H](NC(=O)Nc2cccc(C(=O)[O-])c2)C12CCCCC2 ZINC001596821043 985415574 /nfs/dbraw/zinc/41/55/74/985415574.db2.gz CZJVVYNVBIYOPS-JKSUJKDBSA-N -1 0 346.427 3.634 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2cc(C(=O)[O-])cs2)CCc2ccccc21 ZINC001594476834 985495204 /nfs/dbraw/zinc/49/52/04/985495204.db2.gz BQZLYHPFRUYVKA-LLVKDONJSA-N -1 0 330.409 3.640 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])ccc2Cl)Cc2ccccc21 ZINC001594488876 985587784 /nfs/dbraw/zinc/58/77/84/985587784.db2.gz KORDWGHSEZDOMY-LLVKDONJSA-N -1 0 329.783 3.798 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1CCc2cc(C(C)(C)C)ccc21 ZINC001599954680 985668150 /nfs/dbraw/zinc/66/81/50/985668150.db2.gz QJNOIMHCMYXBBP-UHFFFAOYSA-N -1 0 340.423 3.830 20 0 EHADRM Cc1[nH]c(C(=O)Nc2nc3c(s2)CCCCCC3)c(C)c1C(=O)[O-] ZINC001599956568 985698112 /nfs/dbraw/zinc/69/81/12/985698112.db2.gz WVOXCQUDGLFPBT-UHFFFAOYSA-N -1 0 347.440 3.698 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)O[C@H](C)c1nc(C2CC2)cs1 ZINC001599958294 985727417 /nfs/dbraw/zinc/72/74/17/985727417.db2.gz XRSPXZIAQUPUOK-SECBINFHSA-N -1 0 334.397 3.582 20 0 EHADRM Cc1[nH]c(C(=O)[O-])cc1C(=O)CN1C[C@@H](C(C)(C)C)c2ccccc21 ZINC001599959477 985754015 /nfs/dbraw/zinc/75/40/15/985754015.db2.gz OEZKFGDMSHSQRM-OAHLLOKOSA-N -1 0 340.423 3.854 20 0 EHADRM Cc1[nH]c(CNc2ccc(NC(=O)CC(C)C)cc2)cc1C(=O)[O-] ZINC001599963333 985842225 /nfs/dbraw/zinc/84/22/25/985842225.db2.gz MHHLWMBREMRAQD-UHFFFAOYSA-N -1 0 329.400 3.618 20 0 EHADRM CC(=O)c1cc(Br)cc(Cl)c1OC/C(C)=C/C(=O)[O-] ZINC001589253882 985880409 /nfs/dbraw/zinc/88/04/09/985880409.db2.gz ZBEJESNKDZTVOH-XVNBXDOJSA-N -1 0 347.592 3.715 20 0 EHADRM Cc1[nH]c2c(cccc2C(=O)N2CCc3cccc(C(=O)[O-])c3C2)c1C ZINC001599965242 985891781 /nfs/dbraw/zinc/89/17/81/985891781.db2.gz RSXOOXRWLWPJCG-UHFFFAOYSA-N -1 0 348.402 3.681 20 0 EHADRM Cc1[nH]c2ccccc2c1CC(=O)O[C@H](C(=O)[O-])c1ccccc1F ZINC001599965411 985894501 /nfs/dbraw/zinc/89/45/01/985894501.db2.gz KHDUDNRGWSCTEO-SFHVURJKSA-N -1 0 341.338 3.527 20 0 EHADRM CC(=O)c1cc(C(=O)Nc2cccc(C(=O)[O-])c2)ccc1OC(C)C ZINC001589261510 985923306 /nfs/dbraw/zinc/92/33/06/985923306.db2.gz JGDNBEPEFJOPME-UHFFFAOYSA-N -1 0 341.363 3.627 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)[C@@H](F)CC1CCCCC1 ZINC001589264540 985933918 /nfs/dbraw/zinc/93/39/18/985933918.db2.gz KUENJXBXDARALZ-HNNXBMFYSA-N -1 0 336.359 3.801 20 0 EHADRM CC(=O)c1ccc(C(F)(F)F)nc1NCCCCCCC(=O)[O-] ZINC001589278369 985998676 /nfs/dbraw/zinc/99/86/76/985998676.db2.gz BNTIJOOGWIJCFP-UHFFFAOYSA-N -1 0 332.322 3.750 20 0 EHADRM CC(=O)c1ccc(C(F)(F)F)nc1NCc1cccc(C(=O)[O-])c1 ZINC001589279215 986002330 /nfs/dbraw/zinc/00/23/30/986002330.db2.gz OVSBUBIPSIDZTA-UHFFFAOYSA-N -1 0 338.285 3.613 20 0 EHADRM O=C(c1cccc(C(F)(F)F)c1[O-])N1CCC2(CC2(F)F)CC1 ZINC000655165107 1015190870 /nfs/dbraw/zinc/19/08/70/1015190870.db2.gz HQNQQWDFNKFIBN-UHFFFAOYSA-N -1 0 335.272 3.672 20 0 EHADRM CC(=O)c1sccc1OCc1ccc(C(=O)[O-])c2cccnc12 ZINC001589324074 986153460 /nfs/dbraw/zinc/15/34/60/986153460.db2.gz TXINWKISXAMPLL-UHFFFAOYSA-N -1 0 327.361 3.776 20 0 EHADRM C[C@H]1CN(Cc2cccc(C(=O)[O-])c2Cl)c2ccccc2NC1=O ZINC001594542529 986186644 /nfs/dbraw/zinc/18/66/44/986186644.db2.gz QBDUXWSZGCWDHM-NSHDSACASA-N -1 0 344.798 3.633 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)OCCC(F)(F)F)ccc2n1C ZINC001599985384 986220564 /nfs/dbraw/zinc/22/05/64/986220564.db2.gz GCPFYBDKFICTAD-UHFFFAOYSA-N -1 0 345.273 3.653 20 0 EHADRM CCOc1c(Cl)cc(NC(=O)NCC(C)(C)C(=O)[O-])cc1Cl ZINC001596987035 986260125 /nfs/dbraw/zinc/26/01/25/986260125.db2.gz KXXDDQSTMNESQB-UHFFFAOYSA-N -1 0 349.214 3.624 20 0 EHADRM C[C@H](C(=O)N(Cc1ccccc1)C(C)(C)C(=O)[O-])c1ccccc1F ZINC001589342365 986267510 /nfs/dbraw/zinc/26/75/10/986267510.db2.gz KCMHYACMKAERPZ-AWEZNQCLSA-N -1 0 343.398 3.821 20 0 EHADRM CCOc1c(F)cccc1C(=O)N(CCC(=O)[O-])c1ccccc1C ZINC001596992515 986277176 /nfs/dbraw/zinc/27/71/76/986277176.db2.gz JZDSOOMUTBQQAP-UHFFFAOYSA-N -1 0 345.370 3.654 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC001597008770 986336651 /nfs/dbraw/zinc/33/66/51/986336651.db2.gz DIRJKCVOLJXIAR-SNVBAGLBSA-N -1 0 349.333 3.804 20 0 EHADRM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1Cc1ccc(Cl)cc1 ZINC001594566862 986355315 /nfs/dbraw/zinc/35/53/15/986355315.db2.gz BHLRIRLABVFIDV-CQSZACIVSA-N -1 0 344.842 3.749 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CC[C@@H](C)C2(CCC2)C1 ZINC001597014704 986362964 /nfs/dbraw/zinc/36/29/64/986362964.db2.gz IMQOUZYIKQMZJB-CYBMUJFWSA-N -1 0 346.427 3.828 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)CO[C@@H]1CCCC[C@@H]1CC ZINC001597015837 986371643 /nfs/dbraw/zinc/37/16/43/986371643.db2.gz IZJKUPXVHIQVAK-XJKSGUPXSA-N -1 0 349.427 3.707 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NC[C@H]1C[C@@H]1C1CCCC1 ZINC001597021619 986412248 /nfs/dbraw/zinc/41/22/48/986412248.db2.gz KWKGUCFBOWSCEM-HUUCEWRRSA-N -1 0 346.427 3.731 20 0 EHADRM CC(C(=O)N[C@H](C[C@H]1CCCc2ccccc21)C(=O)[O-])=C1CCCC1 ZINC001589386192 986484158 /nfs/dbraw/zinc/48/41/58/986484158.db2.gz ULTAJWSETRXWDP-IEBWSBKVSA-N -1 0 341.451 3.957 20 0 EHADRM C[C@H](C(=O)NC[C@@H](CC1CCCC1)C(=O)[O-])c1ccc(Cl)s1 ZINC001589404755 986585262 /nfs/dbraw/zinc/58/52/62/986585262.db2.gz SHXKUDZBWGHWSU-CMPLNLGQSA-N -1 0 343.876 3.902 20 0 EHADRM CCOc1ccc([C@@H](C)NC(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC001597074985 986604393 /nfs/dbraw/zinc/60/43/93/986604393.db2.gz XMRWDZLHUCSESZ-LLVKDONJSA-N -1 0 346.358 3.805 20 0 EHADRM C[C@H]1Cc2cc(Cl)ccc2N1CCOc1cccc(C(=O)[O-])c1 ZINC001594615129 986631211 /nfs/dbraw/zinc/63/12/11/986631211.db2.gz LHVAYFLLHAHASK-LBPRGKRZSA-N -1 0 331.799 3.868 20 0 EHADRM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1F)c1ccc(Cl)s1 ZINC001589414726 986638602 /nfs/dbraw/zinc/63/86/02/986638602.db2.gz LEVQCETWRUDNLI-QMMMGPOBSA-N -1 0 341.791 3.659 20 0 EHADRM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001594618878 986643187 /nfs/dbraw/zinc/64/31/87/986643187.db2.gz MAATUOSTZFIOBK-WDEREUQCSA-N -1 0 345.345 3.811 20 0 EHADRM C[C@H]1Cc2cccc(F)c2N(C(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC001594619225 986648250 /nfs/dbraw/zinc/64/82/50/986648250.db2.gz BRDOPJFCOQOPSG-JTQLQIEISA-N -1 0 331.318 3.502 20 0 EHADRM C[C@@H]1Cc2cccc(C(=O)Nc3cc(Cl)cc(C(=O)[O-])c3)c2O1 ZINC001594619867 986653719 /nfs/dbraw/zinc/65/37/19/986653719.db2.gz ILTJAMZBJXRXJM-SECBINFHSA-N -1 0 331.755 3.614 20 0 EHADRM CCOc1ccc(CN[C@H](C(=O)[O-])c2ccc3ccccc3c2)o1 ZINC001597100635 986707755 /nfs/dbraw/zinc/70/77/55/986707755.db2.gz AMGJRSRYODXVGF-SFHVURJKSA-N -1 0 325.364 3.747 20 0 EHADRM CCOc1ccc(NC(=O)c2ccc(C)c(F)c2)c(C(=O)[O-])c1F ZINC001597123519 986825382 /nfs/dbraw/zinc/82/53/82/986825382.db2.gz UBUIYSLIRGCWMJ-UHFFFAOYSA-N -1 0 335.306 3.622 20 0 EHADRM CCOc1ccc(NC(=O)c2occc2C(C)C)c(C(=O)[O-])c1F ZINC001597124270 986831148 /nfs/dbraw/zinc/83/11/48/986831148.db2.gz ZLLRKQBQLLOKME-UHFFFAOYSA-N -1 0 335.331 3.891 20 0 EHADRM CCOc1ccc([C@@H]2C[C@H]2NC(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC001597139632 986880482 /nfs/dbraw/zinc/88/04/82/986880482.db2.gz CQXQJUWTAJTUDV-QWHCGFSZSA-N -1 0 346.408 3.523 20 0 EHADRM CCOc1cccc(/C=C/C(=O)Nc2sc(C)cc2C(=O)[O-])c1 ZINC001597149943 986923078 /nfs/dbraw/zinc/92/30/78/986923078.db2.gz MXGZPOAGQHROMV-BQYQJAHWSA-N -1 0 331.393 3.805 20 0 EHADRM CCOc1cccc(Cl)c1CN(CCC(F)(F)F)CC(=O)[O-] ZINC001597155653 986952419 /nfs/dbraw/zinc/95/24/19/986952419.db2.gz QSECTAVNTLBCFT-UHFFFAOYSA-N -1 0 339.741 3.578 20 0 EHADRM CCOc1cccc(Cl)c1CN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001597155872 986954742 /nfs/dbraw/zinc/95/47/42/986954742.db2.gz URNSNDCUOGTWJW-OAHLLOKOSA-N -1 0 345.826 3.923 20 0 EHADRM C[C@@H]1[C@H](C)Sc2ccccc2N1C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001594666193 986963323 /nfs/dbraw/zinc/96/33/23/986963323.db2.gz QQONWSLIJQAIDV-ZFPPVFKBSA-N -1 0 343.404 3.907 20 0 EHADRM C[C@@H]1c2cc(F)cc(F)c2CCN1Cc1cc(C(=O)[O-])ccc1F ZINC001594666201 986963425 /nfs/dbraw/zinc/96/34/25/986963425.db2.gz RCDTWIRSPXLRII-SNVBAGLBSA-N -1 0 335.325 3.921 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)CCCc1ccc(C2CC2)cc1)C1CCC1 ZINC001589473171 986972215 /nfs/dbraw/zinc/97/22/15/986972215.db2.gz XRTQWQIRNNYOII-CQSZACIVSA-N -1 0 329.440 3.741 20 0 EHADRM CCOc1cccc2cc([C@H](C)N[C@@H](C)c3nc(C(=O)[O-])co3)oc21 ZINC001597165671 986985474 /nfs/dbraw/zinc/98/54/74/986985474.db2.gz UVRMYYMZCTVINY-QWRGUYRKSA-N -1 0 344.367 3.930 20 0 EHADRM CCOc1ccccc1[C@@H](CC)NC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC001597172604 987005247 /nfs/dbraw/zinc/00/52/47/987005247.db2.gz HBZNDNFUJRUEDX-OAHLLOKOSA-N -1 0 345.439 3.688 20 0 EHADRM C/C=C\C[C@@H]1CCCN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)C1 ZINC001594686499 987066203 /nfs/dbraw/zinc/06/62/03/987066203.db2.gz XGAOKOAPFWKCOC-RXYHWBRQSA-N -1 0 330.428 3.914 20 0 EHADRM C/C=C\COc1cccc(CC(=O)Nc2ccc(F)cc2C(=O)[O-])c1 ZINC001594688908 987071883 /nfs/dbraw/zinc/07/18/83/987071883.db2.gz IQBGRXRGIJUFEK-IHWYPQMZSA-N -1 0 343.354 3.660 20 0 EHADRM CC/C(=C/C(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccc(C)cc1 ZINC001594690556 987080083 /nfs/dbraw/zinc/08/00/83/987080083.db2.gz AZANRLZZIRFATG-VKAVYKQESA-N -1 0 337.419 3.846 20 0 EHADRM CC/C(=C/C(=O)N(CC(C)C)C(C)(C)C(=O)[O-])c1ccc(OC)cc1 ZINC001594691295 987089612 /nfs/dbraw/zinc/08/96/12/987089612.db2.gz IOCPBWNCGYANPV-QINSGFPZSA-N -1 0 347.455 3.836 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)CCC(=O)c2cccs2)cc1 ZINC001589505240 987118552 /nfs/dbraw/zinc/11/85/52/987118552.db2.gz RQORFYFZHZBDGX-NSHDSACASA-N -1 0 331.393 3.538 20 0 EHADRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cc1 ZINC001589510776 987136457 /nfs/dbraw/zinc/13/64/57/987136457.db2.gz WDVATFDVCUBFNS-LOFHWUSGSA-N -1 0 340.423 3.551 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cc(-c3ccccc3)nn2C)cc1 ZINC001589512035 987146081 /nfs/dbraw/zinc/14/60/81/987146081.db2.gz NFCKQMXHBAILMH-ZDUSSCGKSA-N -1 0 349.390 3.528 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N[C@H]2CSc3ccccc32)cc1 ZINC001589513532 987159585 /nfs/dbraw/zinc/15/95/85/987159585.db2.gz VSUCIORZYRVRCL-NHYWBVRUSA-N -1 0 342.420 3.843 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1 ZINC001589521697 987168788 /nfs/dbraw/zinc/16/87/88/987168788.db2.gz SIJMTVUEBMJXSW-VIFPVBQESA-N -1 0 338.285 3.541 20 0 EHADRM CCC(=O)Nc1ccccc1C(=O)O[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC001594715416 987185984 /nfs/dbraw/zinc/18/59/84/987185984.db2.gz MVEMQZYITOPMAG-LLVKDONJSA-N -1 0 345.351 3.553 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2ccccc2OC(F)F)c1 ZINC001589531149 987199674 /nfs/dbraw/zinc/19/96/74/987199674.db2.gz BRZDRDVYVDRLAA-JTQLQIEISA-N -1 0 335.306 3.728 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)Cc2ccccc2OC(F)F)c1 ZINC001589532011 987209257 /nfs/dbraw/zinc/20/92/57/987209257.db2.gz ABXIOOGQRRMCCT-NSHDSACASA-N -1 0 349.333 3.657 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NCCC(=O)Nc2cccc(Cl)c2)c1 ZINC001589532630 987216843 /nfs/dbraw/zinc/21/68/43/987216843.db2.gz RXVNCUINVHNIKW-LBPRGKRZSA-N -1 0 346.814 3.969 20 0 EHADRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)COC/C=C\c2ccccc2)c1 ZINC001589533423 987226118 /nfs/dbraw/zinc/22/61/18/987226118.db2.gz OOZNODQLLYXJNN-WUKHSURWSA-N -1 0 339.391 3.543 20 0 EHADRM C[C@H](C(=O)O[C@H](C(=O)[O-])c1ccccc1Cl)c1cccc(F)c1 ZINC001589538860 987232682 /nfs/dbraw/zinc/23/26/82/987232682.db2.gz AHWGROLISRBPGF-BONVTDFDSA-N -1 0 336.746 3.952 20 0 EHADRM CC[C@H](C(=O)N(CC)C(C)(C)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001594728888 987237027 /nfs/dbraw/zinc/23/70/27/987237027.db2.gz BJZSVBAQVINYCT-ZDUSSCGKSA-N -1 0 345.361 3.911 20 0 EHADRM CC[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(C)c(C)c1)c1ccccc1 ZINC001594729027 987238498 /nfs/dbraw/zinc/23/84/98/987238498.db2.gz MJBAMSXDGMTWJJ-QZTJIDSGSA-N -1 0 325.408 3.739 20 0 EHADRM CC[C@H](C(=O)N1C[C@@H](C(=O)[O-])Cc2ccccc21)c1ccc(F)cc1 ZINC001594729701 987245229 /nfs/dbraw/zinc/24/52/29/987245229.db2.gz LBDKFSFVZQXTKF-RDJZCZTQSA-N -1 0 341.382 3.609 20 0 EHADRM CC[C@H](C(=O)NC1(CCC(=O)[O-])CCCCC1)c1ccc(OC)cc1 ZINC001594733553 987254821 /nfs/dbraw/zinc/25/48/21/987254821.db2.gz CSGOLMAAGMBSCF-KRWDZBQOSA-N -1 0 347.455 3.873 20 0 EHADRM CC[C@H](C(=O)Nc1ccc(F)c(C(=O)[O-])c1C)c1ccc(OC)cc1 ZINC001594734948 987265060 /nfs/dbraw/zinc/26/50/60/987265060.db2.gz FQAFWRMDBWHLNE-AWEZNQCLSA-N -1 0 345.370 3.973 20 0 EHADRM CCS[C@H]1CCC[C@H]1NC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001597258484 987269246 /nfs/dbraw/zinc/26/92/46/987269246.db2.gz NNQUQGYGKRXTQK-JJXSEGSLSA-N -1 0 348.468 3.670 20 0 EHADRM C[C@H](C(=O)Oc1ccccc1CC(=O)[O-])c1cn(C)c2ccccc12 ZINC001589553227 987288700 /nfs/dbraw/zinc/28/87/00/987288700.db2.gz LOKUJYFYRBEZDH-ZDUSSCGKSA-N -1 0 337.375 3.515 20 0 EHADRM CCSCc1ccc(NC(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC001597265052 987293687 /nfs/dbraw/zinc/29/36/87/987293687.db2.gz FHZNDQFFDCIKPY-UHFFFAOYSA-N -1 0 344.436 3.960 20 0 EHADRM CCSc1cc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)ccn1 ZINC001597267695 987304585 /nfs/dbraw/zinc/30/45/85/987304585.db2.gz KVGBKDXFARYEBQ-UHFFFAOYSA-N -1 0 336.800 3.798 20 0 EHADRM CC(C)(C(=O)N1CCc2c(cccc2C(=O)[O-])C1)C1CCCCC1 ZINC001589563546 987325515 /nfs/dbraw/zinc/32/55/15/987325515.db2.gz GRTZUVZZBKLJBK-UHFFFAOYSA-N -1 0 329.440 3.876 20 0 EHADRM CC(C)(C(=O)N1CCc2cc(C(=O)[O-])ccc2C1)C1CCCCC1 ZINC001589564276 987327129 /nfs/dbraw/zinc/32/71/29/987327129.db2.gz QGROOZHGVXXFCI-UHFFFAOYSA-N -1 0 329.440 3.876 20 0 EHADRM CCSc1ccccc1CC(=O)N(CC(C)C)C(C)(C)C(=O)[O-] ZINC001597279466 987342405 /nfs/dbraw/zinc/34/24/05/987342405.db2.gz IFOISDKIBXTSEI-UHFFFAOYSA-N -1 0 337.485 3.689 20 0 EHADRM CC(C)(C(=O)Nc1cccc2cc(C(=O)[O-])sc21)c1cccnc1 ZINC001589582697 987365568 /nfs/dbraw/zinc/36/55/68/987365568.db2.gz KJNLNIJUQAFEGU-UHFFFAOYSA-N -1 0 340.404 3.911 20 0 EHADRM CC[C@@H](NC(=O)Nc1cc(C)c(C(=O)[O-])cn1)c1ccccc1F ZINC001597286341 987368305 /nfs/dbraw/zinc/36/83/05/987368305.db2.gz XPTNADZQPCXBSW-CQSZACIVSA-N -1 0 331.347 3.500 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)Nc2nsc3ccccc32)C1 ZINC001589611804 987468417 /nfs/dbraw/zinc/46/84/17/987468417.db2.gz YJTWNHMQPLAUHM-NSHDSACASA-N -1 0 347.440 3.651 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2ccc(SC3CC3)cc2)C1 ZINC001589612181 987472269 /nfs/dbraw/zinc/47/22/69/987472269.db2.gz RYSFATCALXOAAB-AWEZNQCLSA-N -1 0 347.480 3.904 20 0 EHADRM CC(C)(C(=O)[O-])N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC001589617390 987493447 /nfs/dbraw/zinc/49/34/47/987493447.db2.gz ZXLNKUDBFNYHAB-UHFFFAOYSA-N -1 0 345.826 3.775 20 0 EHADRM CCc1[nH]c(C(=O)N(CC)c2cc(C)ccc2C)c(C)c1C(=O)[O-] ZINC001597357617 987508188 /nfs/dbraw/zinc/50/81/88/987508188.db2.gz DPPUSFKKCMJVGR-UHFFFAOYSA-N -1 0 328.412 3.867 20 0 EHADRM CCc1[nH]c(C(=O)NC[C@@H](c2ccccc2)C2CC2)c(C)c1C(=O)[O-] ZINC001597366592 987537537 /nfs/dbraw/zinc/53/75/37/987537537.db2.gz HFAYPZLJFFDGMB-HNNXBMFYSA-N -1 0 340.423 3.507 20 0 EHADRM CC(C)(C(=O)[O-])n1cc(NC(=O)Nc2ccc(C3CCC3)cc2)cn1 ZINC001589666667 987656440 /nfs/dbraw/zinc/65/64/40/987656440.db2.gz MSTYWNWCQZORNM-UHFFFAOYSA-N -1 0 342.399 3.614 20 0 EHADRM CCc1c(C(=O)Oc2cccc3c(CC(=O)[O-])cccc23)ccn1C ZINC001597414353 987710238 /nfs/dbraw/zinc/71/02/38/987710238.db2.gz AQBCODSKQXOQMU-UHFFFAOYSA-N -1 0 337.375 3.587 20 0 EHADRM CC(C)(C)C(=O)COc1c(Cl)cc(C(=O)[O-])cc1Br ZINC001589685902 987729230 /nfs/dbraw/zinc/72/92/30/987729230.db2.gz ISBAJSHQUHPHHE-UHFFFAOYSA-N -1 0 349.608 3.795 20 0 EHADRM CC(C)(C)C(=O)CCCC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001589686290 987732868 /nfs/dbraw/zinc/73/28/68/987732868.db2.gz XJRAGAYCKCCIRS-UHFFFAOYSA-N -1 0 325.792 3.762 20 0 EHADRM CC(C)(C)C(=O)c1ccc(NC(=O)N2CCC(CC(=O)[O-])CC2)cc1 ZINC001589696478 987773872 /nfs/dbraw/zinc/77/38/72/987773872.db2.gz ALPIEAMACIDNGM-UHFFFAOYSA-N -1 0 346.427 3.634 20 0 EHADRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)/C=C\c1csc(C(F)(F)F)c1 ZINC001589701367 987796531 /nfs/dbraw/zinc/79/65/31/987796531.db2.gz YLTBMOMPMGIQLA-UMCURTJPSA-N -1 0 349.374 3.786 20 0 EHADRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)Nc1cccc(COCC2CC2)c1 ZINC001589702272 987797366 /nfs/dbraw/zinc/79/73/66/987797366.db2.gz AGBMCBYJCJNRCE-INIZCTEOSA-N -1 0 348.443 3.624 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)CO[C@H]2CCCC[C@H]2C)s1 ZINC001597440653 987800216 /nfs/dbraw/zinc/80/02/16/987800216.db2.gz HTQIJRUJLQVVLL-MFKMUULPSA-N -1 0 325.430 3.543 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)[C@@H]2CCC(=O)c3ccccc32)s1 ZINC001597441072 987802095 /nfs/dbraw/zinc/80/20/95/987802095.db2.gz PEZFRRUFVXAIPS-CYBMUJFWSA-N -1 0 343.404 3.708 20 0 EHADRM CCc1cc(C(=O)[O-])c(NC(=O)c2cnc(CC3CC3)s2)s1 ZINC001597445229 987816049 /nfs/dbraw/zinc/81/60/49/987816049.db2.gz IUBMFRZOSHZWFD-UHFFFAOYSA-N -1 0 336.438 3.670 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1C[C@]1(F)c1ccccc1 ZINC001597450315 987839480 /nfs/dbraw/zinc/83/94/80/987839480.db2.gz VXDOLWJSFBCOQM-BEFAXECRSA-N -1 0 327.355 3.771 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N(C)[C@@H]1C[C@@](C)(OC)C1(C)C ZINC001597451487 987842877 /nfs/dbraw/zinc/84/28/77/987842877.db2.gz CCRUTZUDVVQRNF-DNVCBOLYSA-N -1 0 348.443 3.615 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CC[C@H]2CCCC[C@@H]2C1 ZINC001597453076 987853583 /nfs/dbraw/zinc/85/35/83/987853583.db2.gz KVHHXYBALRESMB-GDBMZVCRSA-N -1 0 330.428 3.991 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CC(C)(C)[C@H]2CCC[C@H]21 ZINC001597454135 987860403 /nfs/dbraw/zinc/86/04/03/987860403.db2.gz ZCXPMLGTJOPYEB-GOEBONIOSA-N -1 0 330.428 3.990 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC001589718510 987875717 /nfs/dbraw/zinc/87/57/17/987875717.db2.gz OSXYJOZDTQCDCC-JTQLQIEISA-N -1 0 337.725 3.588 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1cccc(CC(=O)[O-])c1)c1cccc(F)c1 ZINC001589718599 987876741 /nfs/dbraw/zinc/87/67/41/987876741.db2.gz VOQILYGGBZOALD-SFHVURJKSA-N -1 0 343.398 3.970 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)NCc1cscc1Cl ZINC001597459404 987885449 /nfs/dbraw/zinc/88/54/49/987885449.db2.gz HCORNZPBRLAOFS-UHFFFAOYSA-N -1 0 338.816 3.984 20 0 EHADRM CS[C@@H]1CC[C@@H](N(C)C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC001599788143 987959682 /nfs/dbraw/zinc/95/96/82/987959682.db2.gz OHRPYXBQQDWGEM-LVQVYYBASA-N -1 0 348.468 3.623 20 0 EHADRM CCc1cc(O)ccc1NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001597482503 987978167 /nfs/dbraw/zinc/97/81/67/987978167.db2.gz JYDZRDAASOUIPP-UHFFFAOYSA-N -1 0 328.368 3.616 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)CCc1cccc2ccccc21)C(=O)[O-] ZINC001589745381 988037764 /nfs/dbraw/zinc/03/77/64/988037764.db2.gz HRPZVCTUCAZVGC-QGZVFWFLSA-N -1 0 327.424 3.778 20 0 EHADRM CCc1ccc(C(=O)Nc2nc(CCCC(=O)[O-])cs2)cc1CC ZINC001597502476 988067301 /nfs/dbraw/zinc/06/73/01/988067301.db2.gz BZUHLVTTXWCDHN-UHFFFAOYSA-N -1 0 346.452 3.928 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)Nc2cc(C(=O)[O-])cnc2Cl)cc1 ZINC001597511967 988094650 /nfs/dbraw/zinc/09/46/50/988094650.db2.gz MIOFLFSLXGOUCX-SNVBAGLBSA-N -1 0 332.787 3.738 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)Oc2ccc(N(C)C)c(C(=O)[O-])c2)cc1 ZINC001597511968 988094768 /nfs/dbraw/zinc/09/47/68/988094768.db2.gz MKGOIHSWBSOMBG-CYBMUJFWSA-N -1 0 341.407 3.722 20 0 EHADRM CC(C)(C)C[C@H]1CCN(C(=O)NCC(C)(C)CC(=O)[O-])C1(C)C ZINC001589764394 988101408 /nfs/dbraw/zinc/10/14/08/988101408.db2.gz JEASJBBOAPVUJK-CYBMUJFWSA-N -1 0 326.481 3.734 20 0 EHADRM CC(C)(C)CC[C@@H](NCc1ccc(C(=O)[O-])o1)C(=O)OC(C)(C)C ZINC001589766477 988112639 /nfs/dbraw/zinc/11/26/39/988112639.db2.gz GFVRYKQEUOFEFJ-CYBMUJFWSA-N -1 0 339.432 3.604 20 0 EHADRM CSCC[C@H](OC(=O)[C@@H](C)Sc1ccccc1Cl)C(=O)[O-] ZINC001599796986 988113838 /nfs/dbraw/zinc/11/38/38/988113838.db2.gz YBOIGMROGSTFLZ-KOLCDFICSA-N -1 0 348.873 3.570 20 0 EHADRM CSCCCCCCC(=O)N(c1ncc(C(=O)[O-])s1)C1CC1 ZINC001599797753 988124780 /nfs/dbraw/zinc/12/47/80/988124780.db2.gz YUYGMFZUHWPKAJ-UHFFFAOYSA-N -1 0 342.486 3.650 20 0 EHADRM CC(C)(C)CCCCNC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001589771856 988126271 /nfs/dbraw/zinc/12/62/71/988126271.db2.gz LKAHWVWBEMRKFO-DLBZAZTESA-N -1 0 346.471 3.713 20 0 EHADRM CC(C)(C)CCCC(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12 ZINC001589771874 988126435 /nfs/dbraw/zinc/12/64/35/988126435.db2.gz MNDXUCDIQFOMMT-UHFFFAOYSA-N -1 0 344.411 3.853 20 0 EHADRM CC(C)(C)Cc1csc(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)n1 ZINC001589788771 988171531 /nfs/dbraw/zinc/17/15/31/988171531.db2.gz DIBKACCWXBXOHF-FNORWQNLSA-N -1 0 334.397 3.675 20 0 EHADRM CC(C)(C)N(Cc1ccccc1)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001589795658 988191728 /nfs/dbraw/zinc/19/17/28/988191728.db2.gz IRXOICYOSVYDPS-UHFFFAOYSA-N -1 0 325.408 3.755 20 0 EHADRM CCc1ccc(N(CC2CC2)C(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC001597532514 988192923 /nfs/dbraw/zinc/19/29/23/988192923.db2.gz GSHFLTCJWSAKDX-UHFFFAOYSA-N -1 0 337.419 3.933 20 0 EHADRM CSCc1cc(F)ccc1CN[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001599802728 988203205 /nfs/dbraw/zinc/20/32/05/988203205.db2.gz YABKOUMIUPNUII-VIFPVBQESA-N -1 0 340.445 3.694 20 0 EHADRM CCc1ccc(NC(=O)C[C@H](C)c2c(C)noc2C)c(C(=O)[O-])c1 ZINC001597542582 988230988 /nfs/dbraw/zinc/23/09/88/988230988.db2.gz DKQNWIVMHUSGJB-JTQLQIEISA-N -1 0 330.384 3.684 20 0 EHADRM CSc1c(F)cccc1C(=O)OCc1ccccc1CC(=O)[O-] ZINC001599805872 988254938 /nfs/dbraw/zinc/25/49/38/988254938.db2.gz BDFAFISRNYTLLK-UHFFFAOYSA-N -1 0 334.368 3.532 20 0 EHADRM CCc1ccc(NC(=O)N2CCC[C@@H]2c2ccncc2)c(C(=O)[O-])c1 ZINC001597548126 988263505 /nfs/dbraw/zinc/26/35/05/988263505.db2.gz SNJZXVTZORYOLD-QGZVFWFLSA-N -1 0 339.395 3.711 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)c1c(C)coc1CC(=O)[O-] ZINC001599808826 988299488 /nfs/dbraw/zinc/29/94/88/988299488.db2.gz MYVOLLSFOPXSRK-UHFFFAOYSA-N -1 0 339.800 3.843 20 0 EHADRM CCc1ccc2occ(C(=O)N[C@@]3(C)CCCC[C@@H]3C(=O)[O-])c2c1 ZINC001597570479 988345475 /nfs/dbraw/zinc/34/54/75/988345475.db2.gz LICHJERUDMWPER-BEFAXECRSA-N -1 0 329.396 3.759 20 0 EHADRM CCc1cccc(CC(=O)Oc2cccc(C(C)(C)C(=O)[O-])c2)c1 ZINC001597584423 988388513 /nfs/dbraw/zinc/38/85/13/988388513.db2.gz BETVJTKQQWBNJY-UHFFFAOYSA-N -1 0 326.392 3.759 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)c1c(C)coc1CC(=O)[O-] ZINC001599814847 988403693 /nfs/dbraw/zinc/40/36/93/988403693.db2.gz VODLOXPRHUGRPE-UHFFFAOYSA-N -1 0 339.800 3.843 20 0 EHADRM CSc1ccc(NC(=O)[C@H]2Cc3ccccc3S2)cc1C(=O)[O-] ZINC001599815509 988417099 /nfs/dbraw/zinc/41/70/99/988417099.db2.gz CGZUGZWGSPKIGV-OAHLLOKOSA-N -1 0 345.445 3.762 20 0 EHADRM CSc1ccc(NC(=O)C2(Oc3ccccc3)CC2)cc1C(=O)[O-] ZINC001599816022 988425971 /nfs/dbraw/zinc/42/59/71/988425971.db2.gz MJGXFHPAMSZBAQ-UHFFFAOYSA-N -1 0 343.404 3.657 20 0 EHADRM CSc1ccc(NC(=O)c2ccc(C(C)=O)s2)cc1C(=O)[O-] ZINC001599817349 988449765 /nfs/dbraw/zinc/44/97/65/988449765.db2.gz KIYQMPNVLJHXED-UHFFFAOYSA-N -1 0 335.406 3.623 20 0 EHADRM CSc1ccc(NC(=O)NCc2cccc(C)c2)cc1C(=O)[O-] ZINC001599819143 988481609 /nfs/dbraw/zinc/48/16/09/988481609.db2.gz QSOZWMDKSKHYAL-UHFFFAOYSA-N -1 0 330.409 3.737 20 0 EHADRM CSc1ccc(NCc2nccn2-c2ccccc2)cc1C(=O)[O-] ZINC001599820527 988505741 /nfs/dbraw/zinc/50/57/41/988505741.db2.gz ADMGVRKWXOKPFF-UHFFFAOYSA-N -1 0 339.420 3.905 20 0 EHADRM CCc1ccccc1OCC(=O)Oc1ccc(Cl)cc1C(=O)[O-] ZINC001597616037 988536673 /nfs/dbraw/zinc/53/66/73/988536673.db2.gz DRYXQRVCZSKQBV-UHFFFAOYSA-N -1 0 334.755 3.585 20 0 EHADRM CCc1ccccc1OCC(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC001597616506 988539177 /nfs/dbraw/zinc/53/91/77/988539177.db2.gz MPZONONEVKXTJR-UHFFFAOYSA-N -1 0 345.420 3.687 20 0 EHADRM CSc1cccc(C)c1NC(=O)NCC1(C(=O)[O-])CCCCC1 ZINC001599823689 988559012 /nfs/dbraw/zinc/55/90/12/988559012.db2.gz HZWPLMFCTMDXCS-UHFFFAOYSA-N -1 0 336.457 3.874 20 0 EHADRM CSc1ccsc1C(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001599826839 988610564 /nfs/dbraw/zinc/61/05/64/988610564.db2.gz ZWVBCMPEABIRAA-OAHLLOKOSA-N -1 0 327.471 3.623 20 0 EHADRM CCc1coc(NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])n1 ZINC001597636963 988620392 /nfs/dbraw/zinc/62/03/92/988620392.db2.gz RHQWAVQXVQZRJC-UHFFFAOYSA-N -1 0 336.347 3.855 20 0 EHADRM CC(C)(C)OC(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC001589906310 988621590 /nfs/dbraw/zinc/62/15/90/988621590.db2.gz XPIBMHUYUDCWLC-UHFFFAOYSA-N -1 0 333.306 3.527 20 0 EHADRM C[C@@H](CC(=O)[O-])NC(=O)Nc1cc(F)c(SC(C)(C)C)c(F)c1 ZINC001599832853 988699930 /nfs/dbraw/zinc/69/99/30/988699930.db2.gz OZDDPFBHTLMYAN-QMMMGPOBSA-N -1 0 346.399 3.840 20 0 EHADRM C[C@@H](CC(=O)[O-])OC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC001599833360 988706290 /nfs/dbraw/zinc/70/62/90/988706290.db2.gz MFTHPTYPJQSRPT-GUYCJALGSA-N -1 0 330.405 3.926 20 0 EHADRM C[C@@H](C(=O)O[C@H](C(=O)[O-])c1c(F)cccc1Cl)c1ccccc1 ZINC001599833471 988708330 /nfs/dbraw/zinc/70/83/30/988708330.db2.gz MARBUHBUMWVGIX-BMIGLBTASA-N -1 0 336.746 3.952 20 0 EHADRM C[C@@H](C(=O)OCCOc1ccc(/C=C/C(=O)[O-])cc1)c1ccccc1 ZINC001599833742 988712446 /nfs/dbraw/zinc/71/24/46/988712446.db2.gz UDZYTNXZNFANKK-SAAWKEMMSA-N -1 0 340.375 3.510 20 0 EHADRM C[C@@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc(F)cc1Cl ZINC001599837457 988766931 /nfs/dbraw/zinc/76/69/31/988766931.db2.gz JILNLGWKJJQFPT-GMTAPVOTSA-N -1 0 327.783 3.547 20 0 EHADRM C[C@@H](Cc1ccccc1)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001599837582 988769132 /nfs/dbraw/zinc/76/91/32/988769132.db2.gz QMHWAJWRQYFTFD-JTQLQIEISA-N -1 0 335.762 3.995 20 0 EHADRM CCc1nc(NC(=O)c2cc(C)c(F)cc2Cl)sc1C(=O)[O-] ZINC001597681931 988817196 /nfs/dbraw/zinc/81/71/96/988817196.db2.gz LAQZLDVPHNDIQN-UHFFFAOYSA-N -1 0 342.779 3.757 20 0 EHADRM C[C@@H](OC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1cccc(Cl)c1F ZINC001599846349 988939139 /nfs/dbraw/zinc/93/91/39/988939139.db2.gz JHIZPHUHFDROND-VWYCJHECSA-N -1 0 328.767 3.974 20 0 EHADRM CCc1ncnc(N[C@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])c1F ZINC001597709170 988957703 /nfs/dbraw/zinc/95/77/03/988957703.db2.gz JJPSCCJZMCSKEA-CZUORRHYSA-N -1 0 343.402 3.553 20 0 EHADRM CC(C)(C)OC(=O)N1CCCC[C@@H](COc2cccc(C(=O)[O-])c2)C1 ZINC001590025863 989020590 /nfs/dbraw/zinc/02/05/90/989020590.db2.gz MNOAAFADCHDPFI-CQSZACIVSA-N -1 0 349.427 3.801 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(OC3CCCC3)cc2)C[C@H]1CC(=O)[O-] ZINC001599861401 989172823 /nfs/dbraw/zinc/17/28/23/989172823.db2.gz ZOTBPVCGGNRGOD-ZIAGYGMSSA-N -1 0 346.427 3.583 20 0 EHADRM CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000470458088 1032116700 /nfs/dbraw/zinc/11/67/00/1032116700.db2.gz BOCOVRHWNWRZQL-UHFFFAOYSA-N -1 0 327.352 3.554 20 0 EHADRM CCc1oc(CNc2cnc(Br)c(C)c2)cc1C(=O)[O-] ZINC001597805232 989411601 /nfs/dbraw/zinc/41/16/01/989411601.db2.gz YVFCHGKSOLBBFP-UHFFFAOYSA-N -1 0 339.189 3.618 20 0 EHADRM CCc1occc1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001597823942 989476363 /nfs/dbraw/zinc/47/63/63/989476363.db2.gz HOZTYXLEDGYDOK-UHFFFAOYSA-N -1 0 339.347 3.711 20 0 EHADRM CCn1c(C(=O)Nc2c(F)ccc(F)c2C(=O)[O-])cc2ccccc21 ZINC001597841320 989540797 /nfs/dbraw/zinc/54/07/97/989540797.db2.gz YSVHDWWCKQBUMG-UHFFFAOYSA-N -1 0 344.317 3.890 20 0 EHADRM CC(C)(C)OC(=O)Nc1ccc(Sc2ccnc(C(=O)[O-])n2)cc1 ZINC001590303151 989729235 /nfs/dbraw/zinc/72/92/35/989729235.db2.gz HAJQBTVTXQZJFB-UHFFFAOYSA-N -1 0 347.396 3.673 20 0 EHADRM CCn1cc(Cl)cc1C(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001597895184 989755373 /nfs/dbraw/zinc/75/53/73/989755373.db2.gz CEQPONZKJOVJIP-UHFFFAOYSA-N -1 0 326.805 3.790 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)nc1 ZINC001590408620 989942663 /nfs/dbraw/zinc/94/26/63/989942663.db2.gz BXMHJKOWSGFTSQ-UHFFFAOYSA-N -1 0 348.786 3.863 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC001590409509 989947606 /nfs/dbraw/zinc/94/76/06/989947606.db2.gz MAQVNNUNNQFXKM-UHFFFAOYSA-N -1 0 331.343 3.954 20 0 EHADRM CC(C)(C)Oc1cccc(C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)c1 ZINC001590416246 989954954 /nfs/dbraw/zinc/95/49/54/989954954.db2.gz IOSBXLNUDMLKCX-QGZVFWFLSA-N -1 0 347.455 3.875 20 0 EHADRM CC(C)(C)Oc1cccc(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)c1 ZINC001590419911 989962026 /nfs/dbraw/zinc/96/20/26/989962026.db2.gz LJNRCOQLYGWCHK-NTMALXAHSA-N -1 0 329.352 3.807 20 0 EHADRM CC(C)(C)c1cc(NC[C@H](CC(=O)[O-])C2CC2)nc(C(C)(C)C)n1 ZINC001590461542 990029794 /nfs/dbraw/zinc/02/97/94/990029794.db2.gz BDFLVKYPUVULAF-ZDUSSCGKSA-N -1 0 333.476 3.984 20 0 EHADRM CC(C)(C)c1ccc(C2CCN(c3cncc(C(=O)[O-])n3)CC2)cc1 ZINC001590479477 990052832 /nfs/dbraw/zinc/05/28/32/990052832.db2.gz BVUMZHZYODCFKA-UHFFFAOYSA-N -1 0 339.439 3.856 20 0 EHADRM CC(C)(C)c1ccc(CCNC(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC001590484843 990079918 /nfs/dbraw/zinc/07/99/18/990079918.db2.gz GQLJRWMXOMOZBW-UHFFFAOYSA-N -1 0 339.435 3.584 20 0 EHADRM CC(C)(C)c1ccc(CCCCC(=O)N[C@H](CCF)C(=O)[O-])cc1 ZINC001590484890 990080258 /nfs/dbraw/zinc/08/02/58/990080258.db2.gz HXAMRVJAXUWYGX-MRXNPFEDSA-N -1 0 337.435 3.626 20 0 EHADRM CC(C)(C)c1ccc(CCC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)cc1 ZINC001590484879 990080267 /nfs/dbraw/zinc/08/02/67/990080267.db2.gz HNDFHMPZMOIWFE-WBVHZDCISA-N -1 0 331.456 3.676 20 0 EHADRM CC(C)(C)c1ccc(CCC(=O)NC2(CC(=O)[O-])CCCC2)cc1 ZINC001590485106 990082236 /nfs/dbraw/zinc/08/22/36/990082236.db2.gz PAJUGKTYSBIBKP-UHFFFAOYSA-N -1 0 331.456 3.820 20 0 EHADRM CC(C)(C)c1ccc(OCC(=O)NCC2(CC(=O)[O-])CCCC2)cc1 ZINC001590493330 990095541 /nfs/dbraw/zinc/09/55/41/990095541.db2.gz JWZVDYXSQJCKAT-UHFFFAOYSA-N -1 0 347.455 3.514 20 0 EHADRM CC(C)(C)c1nc(NC(=O)[C@H]2C[C@H]2C2CCCC2)sc1C(=O)[O-] ZINC001590542529 990174141 /nfs/dbraw/zinc/17/41/41/990174141.db2.gz YWEPFRPIANPAHQ-QWRGUYRKSA-N -1 0 336.457 3.904 20 0 EHADRM CC(C)(C)c1nc2cc(NC(=O)N[C@H]3CCC[C@@H]3C(=O)[O-])ccc2o1 ZINC001590545900 990185542 /nfs/dbraw/zinc/18/55/42/990185542.db2.gz UWVRXCAMCMBHLQ-RYUDHWBXSA-N -1 0 345.399 3.500 20 0 EHADRM CN(C(=O)CCc1ccc(Cl)c(F)c1)C1(C(=O)[O-])CCCCC1 ZINC001598018668 990202971 /nfs/dbraw/zinc/20/29/71/990202971.db2.gz VGBSGTBIKCAKEP-UHFFFAOYSA-N -1 0 341.810 3.658 20 0 EHADRM CC(C)(C)c1noc(CNc2ccc(Cl)c(C(=O)[O-])c2Cl)n1 ZINC001590583458 990230385 /nfs/dbraw/zinc/23/03/85/990230385.db2.gz MYLPQGLAHBCPKB-UHFFFAOYSA-N -1 0 344.198 3.984 20 0 EHADRM CN(C(=O)Cc1ccc2ccccc2c1)c1ccc(OCC(=O)[O-])cc1 ZINC001598037340 990266332 /nfs/dbraw/zinc/26/63/32/990266332.db2.gz ZJMLCXGOQDSYDC-UHFFFAOYSA-N -1 0 349.386 3.509 20 0 EHADRM CN(C(=O)Nc1cc(C(=O)[O-])n(C)c1)c1ccc(C(C)(C)C)cc1 ZINC001598056081 990313947 /nfs/dbraw/zinc/31/39/47/990313947.db2.gz CRHHRTHPJCMNMQ-UHFFFAOYSA-N -1 0 329.400 3.689 20 0 EHADRM CN(C(=O)Nc1ccc(CCC(=O)[O-])cc1)C1CCC(F)(F)CC1 ZINC001598057055 990322020 /nfs/dbraw/zinc/32/20/20/990322020.db2.gz LNOWAPTVDUDJQD-UHFFFAOYSA-N -1 0 340.370 3.745 20 0 EHADRM CC(C)(CC(=O)[O-])Cc1nnc(CCSc2ccc(F)cc2)o1 ZINC001590637691 990328910 /nfs/dbraw/zinc/32/89/10/990328910.db2.gz SIXAIRBWXYPBRG-UHFFFAOYSA-N -1 0 338.404 3.587 20 0 EHADRM CN(C(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccc2cc[nH]c2c1 ZINC001598062228 990337894 /nfs/dbraw/zinc/33/78/94/990337894.db2.gz WAPPULNMTAVMCH-UHFFFAOYSA-N -1 0 337.379 3.853 20 0 EHADRM CC(C)(CNC(=O)CCCc1ccc(Cl)c(Cl)c1)CC(=O)[O-] ZINC001590708407 990459468 /nfs/dbraw/zinc/45/94/68/990459468.db2.gz ASXXLFUBJFXNEE-UHFFFAOYSA-N -1 0 346.254 3.933 20 0 EHADRM O=S(=O)([N-]c1ccc(Br)cc1)c1cccc(F)c1F ZINC000509640517 1015568219 /nfs/dbraw/zinc/56/82/19/1015568219.db2.gz WHBUNBSTQPMVLT-UHFFFAOYSA-N -1 0 348.168 3.528 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(SC(F)(F)F)cc1)C(=O)[O-] ZINC001590738149 990530646 /nfs/dbraw/zinc/53/06/46/990530646.db2.gz BXELUESUSJSAEC-UHFFFAOYSA-N -1 0 336.335 3.531 20 0 EHADRM CC(C)(CNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC001590743525 990542274 /nfs/dbraw/zinc/54/22/74/990542274.db2.gz SLCLDPUQQKWOFS-LSDHHAIUSA-N -1 0 337.847 3.625 20 0 EHADRM CC(C)(CNc1ncnc2c(-c3ccccc3)nsc21)CC(=O)[O-] ZINC001590779835 990589055 /nfs/dbraw/zinc/58/90/55/990589055.db2.gz AUNGNDZDUOUICD-UHFFFAOYSA-N -1 0 342.424 3.666 20 0 EHADRM CC(C)(CSc1n[nH]c(-c2cc(Cl)cc(Cl)c2)n1)C(=O)[O-] ZINC001590820641 990656675 /nfs/dbraw/zinc/65/66/75/990656675.db2.gz XCNYAILPADIAAM-UHFFFAOYSA-N -1 0 346.239 3.981 20 0 EHADRM CC(C)(Cc1ccc(Cl)cc1)C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC001590821853 990659704 /nfs/dbraw/zinc/65/97/04/990659704.db2.gz FSNSUMTUUPTRBJ-SFHVURJKSA-N -1 0 337.847 3.622 20 0 EHADRM CC(C)C(=O)c1ccc([C@H](C)C(=O)OCc2occc2C(=O)[O-])cc1 ZINC001590948778 990999275 /nfs/dbraw/zinc/99/92/75/990999275.db2.gz DFEKKNNQPAPMMW-LBPRGKRZSA-N -1 0 344.363 3.663 20 0 EHADRM CC(C)[C@](C)(Cc1ccccc1)NC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001590967671 991083609 /nfs/dbraw/zinc/08/36/09/991083609.db2.gz DCSPNWCRSIXYPC-XTXLJPNXSA-N -1 0 341.407 3.765 20 0 EHADRM COc1cccc2cc(C(=O)Nc3scc(C)c3C(=O)[O-])oc21 ZINC001599692146 991087428 /nfs/dbraw/zinc/08/74/28/991087428.db2.gz KOZWCZXKPNSQKM-UHFFFAOYSA-N -1 0 331.349 3.762 20 0 EHADRM CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NC(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001590969010 991093340 /nfs/dbraw/zinc/09/33/40/991093340.db2.gz XJQFAVNAJSOTIL-GOSISDBHSA-N -1 0 348.830 3.754 20 0 EHADRM CC(C)[C@H](CC(=O)N(CCC(F)(F)F)CC(=O)[O-])c1ccccc1 ZINC001590976597 991126163 /nfs/dbraw/zinc/12/61/63/991126163.db2.gz TYXZRDNZDROEKD-AWEZNQCLSA-N -1 0 345.361 3.682 20 0 EHADRM CC(C)[C@@H](CC1CCCCC1)C(=O)NCCSCCC(=O)[O-] ZINC001590980291 991129791 /nfs/dbraw/zinc/12/97/91/991129791.db2.gz ABLJWSCKVCXFNO-OAHLLOKOSA-N -1 0 329.506 3.553 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)Nc1cc(C(=O)[O-])sc1C ZINC001599696703 991159153 /nfs/dbraw/zinc/15/91/53/991159153.db2.gz DCFOXFLUIMOQER-CSKARUKUSA-N -1 0 331.393 3.805 20 0 EHADRM COc1ccccc1C(=O)N[C@@H](CC(=O)[O-])c1ccc2ccccc2c1 ZINC001599697330 991167616 /nfs/dbraw/zinc/16/76/16/991167616.db2.gz XNIRDOYFBYYPLC-SFHVURJKSA-N -1 0 349.386 3.794 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)Nc1cc(C)c(C(=O)[O-])c(C)n1 ZINC001599699149 991192721 /nfs/dbraw/zinc/19/27/21/991192721.db2.gz VARIVJCWVWGCLM-LLVKDONJSA-N -1 0 342.395 3.538 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)N1CCCC[C@H]1C1CCC1 ZINC001598294899 991222922 /nfs/dbraw/zinc/22/29/22/991222922.db2.gz QEAXZHZRAGGFBR-INIZCTEOSA-N -1 0 345.443 3.637 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)NC(C)(C)C1CCCCC1 ZINC001598295421 991224618 /nfs/dbraw/zinc/22/46/18/991224618.db2.gz VZGTYXQJBASEGJ-UHFFFAOYSA-N -1 0 347.459 3.931 20 0 EHADRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC001598298642 991235617 /nfs/dbraw/zinc/23/56/17/991235617.db2.gz PBNHVBSYLUSQIH-VNHYZAJKSA-N -1 0 345.443 3.541 20 0 EHADRM COc1ccccc1C1(NC(=O)Nc2cc(C)cc(C(=O)[O-])c2)CC1 ZINC001599703451 991256994 /nfs/dbraw/zinc/25/69/94/991256994.db2.gz FXQLAVCRNBSRAK-UHFFFAOYSA-N -1 0 340.379 3.513 20 0 EHADRM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1cc(Br)ccc1C(=O)[O-] ZINC001591058406 991474013 /nfs/dbraw/zinc/47/40/13/991474013.db2.gz ORUFTSIGNQXMLZ-XHDPSFHLSA-N -1 0 340.217 3.768 20 0 EHADRM COc1ccccc1S[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001599718138 991492001 /nfs/dbraw/zinc/49/20/01/991492001.db2.gz JBYROYUPSHPBQI-LBPRGKRZSA-N -1 0 345.420 3.821 20 0 EHADRM COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)[O-])c1Cl ZINC001599718998 991504763 /nfs/dbraw/zinc/50/47/63/991504763.db2.gz PJBYDPYJFOMUKQ-QWHCGFSZSA-N -1 0 345.782 3.789 20 0 EHADRM COc1ccnc(CSCCOc2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC001599720528 991529195 /nfs/dbraw/zinc/52/91/95/991529195.db2.gz GVFSPYWWFRNHIG-QPJJXVBHSA-N -1 0 345.420 3.500 20 0 EHADRM CC(C)[C@H]1C[C@H](C(=O)Nc2cccc3cc(C(=O)[O-])sc32)CCO1 ZINC001591071611 991530339 /nfs/dbraw/zinc/53/03/39/991530339.db2.gz DXBRAFUASLCTSD-TZMCWYRMSA-N -1 0 347.436 3.989 20 0 EHADRM CC(C)[C@@H]1C[C@@H](C(=O)Nc2cccc3cc(C(=O)[O-])sc32)CCO1 ZINC001591071609 991530551 /nfs/dbraw/zinc/53/05/51/991530551.db2.gz DXBRAFUASLCTSD-JSGCOSHPSA-N -1 0 347.436 3.989 20 0 EHADRM C[C@@H](Cc1ccc(NC(=O)/C=C\c2cccc(F)c2)cc1)C(=O)[O-] ZINC000588593110 1032121642 /nfs/dbraw/zinc/12/16/42/1032121642.db2.gz QDELBNDDQKXRDE-SZNGSJQDSA-N -1 0 327.355 3.741 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)NCc2ccc(C(=O)[O-])s2)c2ccccc21 ZINC001591093041 991651139 /nfs/dbraw/zinc/65/11/39/991651139.db2.gz ICDFIHDRPGEYDQ-AWEZNQCLSA-N -1 0 344.436 3.916 20 0 EHADRM CC(C)[C@@H]1N(C(=O)Nc2cccc(F)c2C(=O)[O-])CC12CC=CC2 ZINC001591099930 991717582 /nfs/dbraw/zinc/71/75/82/991717582.db2.gz SHMCZXNOPAEYKG-HNNXBMFYSA-N -1 0 332.375 3.732 20 0 EHADRM CC(C)C[C@H](C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C)c1ccc(Cl)cc1 ZINC001591117817 991778304 /nfs/dbraw/zinc/77/83/04/991778304.db2.gz GWOCTTKZTVWQNZ-WQVCFCJDSA-N -1 0 337.847 3.791 20 0 EHADRM CC(C)C[C@H](C)C(=O)N[C@@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC001591129832 991819639 /nfs/dbraw/zinc/81/96/39/991819639.db2.gz CSPCQZSXDPWXEF-LESCRADOSA-N -1 0 331.456 3.748 20 0 EHADRM COc1nsc(CN2C[C@H](C(C)C)c3ccccc32)c1C(=O)[O-] ZINC001599740925 991853580 /nfs/dbraw/zinc/85/35/80/991853580.db2.gz NBUKYAFMEVUMQM-GFCCVEGCSA-N -1 0 332.425 3.610 20 0 EHADRM COc1nsc(CN2C[C@@H](C(C)C)c3ccccc32)c1C(=O)[O-] ZINC001599740926 991854303 /nfs/dbraw/zinc/85/43/03/991854303.db2.gz NBUKYAFMEVUMQM-LBPRGKRZSA-N -1 0 332.425 3.610 20 0 EHADRM CC(C)C[C@H](C)OC(=O)N1CCCC[C@H]1c1ccc(C(=O)[O-])n1C ZINC001591138462 991858451 /nfs/dbraw/zinc/85/84/51/991858451.db2.gz YAWSGUIWRCRVPJ-ZFWWWQNUSA-N -1 0 336.432 3.822 20 0 EHADRM COc1sc(CNc2ccc(C(=O)[O-])cc2)cc1Br ZINC001599742638 991881592 /nfs/dbraw/zinc/88/15/92/991881592.db2.gz CFRNLJIZSZYHIN-UHFFFAOYSA-N -1 0 342.214 3.830 20 0 EHADRM CC(C)C[C@H](NC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)c1ccccc1 ZINC001591178459 991976745 /nfs/dbraw/zinc/97/67/45/991976745.db2.gz REFSBCGVJKHECN-QKLQHJQFSA-N -1 0 344.455 3.813 20 0 EHADRM CC(C)C[C@@H](NC(=O)N1CCC(CC(=O)[O-])CC1)c1cccs1 ZINC001591178859 991978486 /nfs/dbraw/zinc/97/84/86/991978486.db2.gz WCLPBVHOKANBRV-CQSZACIVSA-N -1 0 338.473 3.732 20 0 EHADRM CC(C)C[C@@H](OC(=O)c1cc2sccc2nc1Cl)C(=O)[O-] ZINC001591188344 991994910 /nfs/dbraw/zinc/99/49/10/991994910.db2.gz RPTCNBFHKDRHNX-SNVBAGLBSA-N -1 0 327.789 3.606 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)Nc2ccc(C(=O)[O-])cn2)cc1 ZINC001591259618 992163319 /nfs/dbraw/zinc/16/33/19/992163319.db2.gz ACCNXBQHFMPGHI-UHFFFAOYSA-N -1 0 343.383 3.849 20 0 EHADRM CC(C)CCc1ccccc1NC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001591269847 992186888 /nfs/dbraw/zinc/18/68/88/992186888.db2.gz JXPPYBSXXKVDHX-HPFXQQBRSA-N -1 0 344.455 3.896 20 0 EHADRM CC(C)CCc1ccccc1NC(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC001591270284 992188881 /nfs/dbraw/zinc/18/88/81/992188881.db2.gz NZNXOLJKVRTZRA-MRXNPFEDSA-N -1 0 332.444 3.898 20 0 EHADRM CC(C)CN(C(=O)Cc1c(Cl)cccc1Cl)C(C)(C)C(=O)[O-] ZINC001591280487 992209267 /nfs/dbraw/zinc/20/92/67/992209267.db2.gz KRYZTPBXKYPAHE-UHFFFAOYSA-N -1 0 346.254 3.884 20 0 EHADRM CC(C)CN(C(=O)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21)C(C)(C)C(=O)[O-] ZINC001591281636 992217638 /nfs/dbraw/zinc/21/76/38/992217638.db2.gz VTARZDMCBCZAFS-VNQPRFMTSA-N -1 0 349.858 3.574 20 0 EHADRM CC(C)c1csc(NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])n1 ZINC000339814353 1015698041 /nfs/dbraw/zinc/69/80/41/1015698041.db2.gz SJZUTGGZKGYVMQ-UHFFFAOYSA-N -1 0 346.387 3.549 20 0 EHADRM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)[C@@H](C)Cc1ccccc1F ZINC001591309899 992270747 /nfs/dbraw/zinc/27/07/47/992270747.db2.gz NRLLYGJAZYTUOV-AWEZNQCLSA-N -1 0 337.435 3.600 20 0 EHADRM O=C(c1cncc(O)c1)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000339815960 1015699016 /nfs/dbraw/zinc/69/90/16/1015699016.db2.gz TZULETUYOYLRGK-HNNXBMFYSA-N -1 0 347.212 3.527 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)[C@@H](C)Oc1cccc(C(C)(C)C)c1 ZINC001591321633 992289256 /nfs/dbraw/zinc/28/92/56/992289256.db2.gz BGQLKMRNHJMOLG-OAHLLOKOSA-N -1 0 349.471 3.711 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)CCOc1ccccc1C(C)C ZINC001591323717 992296743 /nfs/dbraw/zinc/29/67/43/992296743.db2.gz QPUMOEBOUAVXDN-UHFFFAOYSA-N -1 0 335.444 3.538 20 0 EHADRM CC(C)CN(Cc1ccc(F)c(Cl)c1)C(=O)[C@@H](C)CC(=O)[O-] ZINC001591343338 992325409 /nfs/dbraw/zinc/32/54/09/992325409.db2.gz WVFZBQGLOCCHNH-NSHDSACASA-N -1 0 329.799 3.575 20 0 EHADRM CN(Cc1cc2ccccc2o1)C(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001598508932 992542087 /nfs/dbraw/zinc/54/20/87/992542087.db2.gz MVXJTYMGBLZJIZ-DYESRHJHSA-N -1 0 349.386 3.650 20 0 EHADRM CC(C)Cc1ccc(CCCC(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC001591483442 992603096 /nfs/dbraw/zinc/60/30/96/992603096.db2.gz GJJMYUBFJIAEGO-UHFFFAOYSA-N -1 0 343.423 3.815 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)N[C@H](C(=O)[O-])c2ccccc2)c1 ZINC001591488222 992614942 /nfs/dbraw/zinc/61/49/42/992614942.db2.gz BRVIZQHCJDPVQN-KXBFYZLASA-N -1 0 339.435 3.931 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC001591488190 992615120 /nfs/dbraw/zinc/61/51/20/992615120.db2.gz AIICAQLIUNBGLY-RLFYNMQTSA-N -1 0 331.456 3.558 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)Nc2cccc(C(=O)[O-])c2N)c1 ZINC001591488973 992618969 /nfs/dbraw/zinc/61/89/69/992618969.db2.gz LURYMAAPKFBMEH-CYBMUJFWSA-N -1 0 340.423 3.908 20 0 EHADRM CC(C)Cc1cccc([C@@H](C)C(=O)N(C)C2(C(=O)[O-])CCCC2)c1 ZINC001591489556 992621157 /nfs/dbraw/zinc/62/11/57/992621157.db2.gz VSXSIFIBPABMCV-OAHLLOKOSA-N -1 0 331.456 3.844 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)N2CC[C@H](C)C[C@H]2C(=O)[O-])c1 ZINC001591489821 992622380 /nfs/dbraw/zinc/62/23/80/992622380.db2.gz YRWRPZSOUSRBOG-MPGHIAIKSA-N -1 0 331.456 3.700 20 0 EHADRM CC(C)Cc1cccc([C@H](C)C(=O)N2CC[C@H](C)C[C@@H]2C(=O)[O-])c1 ZINC001591489822 992622572 /nfs/dbraw/zinc/62/25/72/992622572.db2.gz YRWRPZSOUSRBOG-RLFYNMQTSA-N -1 0 331.456 3.700 20 0 EHADRM CN(Cc1ccc(N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1)C(=O)OC(C)(C)C ZINC001598519096 992656810 /nfs/dbraw/zinc/65/68/10/992656810.db2.gz IIKABYXPMKZENK-ZBFHGGJFSA-N -1 0 348.443 3.719 20 0 EHADRM CN(Cc1ccc(F)cn1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598519206 992658619 /nfs/dbraw/zinc/65/86/19/992658619.db2.gz KVMIXYJIHRXLLZ-AWEZNQCLSA-N -1 0 343.185 3.785 20 0 EHADRM CC(C)Cn1nccc1C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC001591532939 992707184 /nfs/dbraw/zinc/70/71/84/992707184.db2.gz HJPVXHJVDNBQHT-UHFFFAOYSA-N -1 0 349.456 3.849 20 0 EHADRM CN(Cc1cccc(C(=O)[O-])c1)c1cccc(OC(F)(F)F)c1 ZINC001598525532 992715935 /nfs/dbraw/zinc/71/59/35/992715935.db2.gz OKLXNGAUHMWESM-UHFFFAOYSA-N -1 0 325.286 3.920 20 0 EHADRM CC(C)N(C)c1cccc(NC(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC001591562073 992767854 /nfs/dbraw/zinc/76/78/54/992767854.db2.gz KPRGNTJOGQGAFY-UHFFFAOYSA-N -1 0 330.359 3.621 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)/C(F)=C/c1ccc(C(F)(F)F)cc1 ZINC001591576001 992788140 /nfs/dbraw/zinc/78/81/40/992788140.db2.gz WSSMNODOHLKIEH-LCYFTJDESA-N -1 0 347.308 3.728 20 0 EHADRM CC(C)N(Cc1ccccc1)C(=O)Nc1cnc(C(=O)[O-])c(Cl)c1 ZINC001591603891 992839380 /nfs/dbraw/zinc/83/93/80/992839380.db2.gz ZWAKQKASLVWCEB-UHFFFAOYSA-N -1 0 347.802 3.876 20 0 EHADRM CC(C)[C@H]1CCCCCN1C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001593062473 993577299 /nfs/dbraw/zinc/57/72/99/993577299.db2.gz IXPGWVXCOTZIJG-VXGBXAGGSA-N -1 0 339.461 3.513 20 0 EHADRM COc1ccc(N(CC(C)C)C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC001599584051 993589467 /nfs/dbraw/zinc/58/94/67/993589467.db2.gz FTDGWBNGOBZSNA-SHTZXODSSA-N -1 0 333.428 3.575 20 0 EHADRM C/C(=C/c1ccc(Cl)cc1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000588593238 1032127411 /nfs/dbraw/zinc/12/74/11/1032127411.db2.gz ITMMLNFLYXQKED-BMOGTNHUSA-N -1 0 335.831 3.847 20 0 EHADRM COc1ccc(NC(=O)CCc2cc(C)cc(C)c2)c(C(=O)[O-])c1 ZINC001599591413 993688172 /nfs/dbraw/zinc/68/81/72/993688172.db2.gz XXIWTSJADNLFBK-UHFFFAOYSA-N -1 0 327.380 3.582 20 0 EHADRM COc1ccc(NC(=O)c2ccc(F)c3occc32)c(C(=O)[O-])c1 ZINC001599596322 993752490 /nfs/dbraw/zinc/75/24/90/993752490.db2.gz PFHKYPJVBCPNGE-UHFFFAOYSA-N -1 0 329.283 3.531 20 0 EHADRM C[C@@H](NC(=O)NCc1ccc(C(=O)[O-])cc1F)[C@@H](C)c1ccccc1 ZINC001593104486 993755110 /nfs/dbraw/zinc/75/51/10/993755110.db2.gz SJOHBUVHLIMWLJ-CHWSQXEVSA-N -1 0 344.386 3.515 20 0 EHADRM C[C@H](NC(=O)Nc1ccc(F)c(Cl)c1)c1ncc(C(=O)[O-])s1 ZINC001593115779 993802561 /nfs/dbraw/zinc/80/25/61/993802561.db2.gz RILPMZKDJXUGEX-LURJTMIESA-N -1 0 343.767 3.517 20 0 EHADRM C[C@H](NC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1)C1CCCCC1 ZINC001593115944 993803580 /nfs/dbraw/zinc/80/35/80/993803580.db2.gz TUWODMWDVUEKSJ-NSHDSACASA-N -1 0 329.400 3.956 20 0 EHADRM COc1ccc(OC(F)F)c(NCc2ccc(C(=O)[O-])cc2F)c1 ZINC001599600141 993804237 /nfs/dbraw/zinc/80/42/37/993804237.db2.gz CVYCICVIGMBPBP-UHFFFAOYSA-N -1 0 341.285 3.746 20 0 EHADRM COc1ccc(OCCS[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001599607117 993900841 /nfs/dbraw/zinc/90/08/41/993900841.db2.gz XRCSQNWYYRISFN-INIZCTEOSA-N -1 0 336.384 3.772 20 0 EHADRM C[C@H](NC(=O)c1ccc(Cl)c(F)c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593162790 993998440 /nfs/dbraw/zinc/99/84/40/993998440.db2.gz MGSSCRORSAIZTK-FZMZJTMJSA-N -1 0 349.789 3.541 20 0 EHADRM C[C@@H](NC(=O)c1ccc(Cl)c(F)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593162789 993998590 /nfs/dbraw/zinc/99/85/90/993998590.db2.gz MGSSCRORSAIZTK-BXUZGUMPSA-N -1 0 349.789 3.541 20 0 EHADRM COc1ccc(SCC(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)cc1 ZINC001599618124 994045441 /nfs/dbraw/zinc/04/54/41/994045441.db2.gz BNLWPQUOBJNXPP-GFCCVEGCSA-N -1 0 345.420 3.614 20 0 EHADRM COc1ccc2c(c1)[C@H](C(=O)O[C@H](C)c1cc(C(=O)[O-])co1)CCC2 ZINC001599624160 994124681 /nfs/dbraw/zinc/12/46/81/994124681.db2.gz ALKQKSNHMRWASX-IAQYHMDHSA-N -1 0 344.363 3.711 20 0 EHADRM C[C@@H](N[C@@H](C)c1nc2ccccc2s1)c1ncc(C(=O)[O-])s1 ZINC001593204279 994199488 /nfs/dbraw/zinc/19/94/88/994199488.db2.gz PBARDQLXFRCFEZ-BDAKNGLRSA-N -1 0 333.438 3.863 20 0 EHADRM C[C@H](N[C@H](CO)c1cccc(Cl)c1Cl)c1ccc(C(=O)[O-])o1 ZINC001593208746 994229497 /nfs/dbraw/zinc/22/94/97/994229497.db2.gz JHFNUTYKLXQKFT-GZMMTYOYSA-N -1 0 344.194 3.669 20 0 EHADRM C[C@H](N[C@@H]1CC2(CCC2)Oc2ccccc21)c1ncc(C(=O)[O-])s1 ZINC001593217516 994272708 /nfs/dbraw/zinc/27/27/08/994272708.db2.gz BQUGDADUSBTPOM-WCQYABFASA-N -1 0 344.436 3.938 20 0 EHADRM COc1ccc2ccc(C(=O)NCCc3ccc(C(=O)[O-])cc3)cc2c1 ZINC001599635657 994283263 /nfs/dbraw/zinc/28/32/63/994283263.db2.gz CFADROHZFTWMRN-UHFFFAOYSA-N -1 0 349.386 3.519 20 0 EHADRM COc1ccc2cc(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)sc2c1 ZINC001599635640 994283291 /nfs/dbraw/zinc/28/32/91/994283291.db2.gz ASFYGIFTPIFDCC-UHFFFAOYSA-N -1 0 345.351 4.000 20 0 EHADRM COc1ccc2cc(/C=C/C(=O)Nc3cncc(C(=O)[O-])c3)ccc2c1 ZINC001599635897 994288026 /nfs/dbraw/zinc/28/80/26/994288026.db2.gz VJWCWEFBCLXKJD-XVNBXDOJSA-N -1 0 348.358 3.594 20 0 EHADRM C[C@@H](N[C@H]1CCCn2nc(C(=O)[O-])cc21)c1nc(C(C)(C)C)cs1 ZINC001593218811 994292359 /nfs/dbraw/zinc/29/23/59/994292359.db2.gz KWKLGTXHYJFHPL-MNOVXSKESA-N -1 0 348.472 3.521 20 0 EHADRM COc1ccc2cccc(CC(=O)Nc3ccc(C(=O)[O-])s3)c2c1 ZINC001599636357 994293357 /nfs/dbraw/zinc/29/33/57/994293357.db2.gz OBZKLPUKEGZYLI-UHFFFAOYSA-N -1 0 341.388 3.789 20 0 EHADRM COc1cccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)c1C ZINC001599642709 994380563 /nfs/dbraw/zinc/38/05/63/994380563.db2.gz MLMPQLZCNGTFBT-UHFFFAOYSA-N -1 0 345.420 3.894 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)CCCCc1ccccc1 ZINC001599643550 994392305 /nfs/dbraw/zinc/39/23/05/994392305.db2.gz DNBDDTKWKSBAAS-UHFFFAOYSA-N -1 0 328.364 3.712 20 0 EHADRM COc1cccc(C(=O)[O-])c1CSc1ncnc2sc(C)cc21 ZINC001599643725 994394232 /nfs/dbraw/zinc/39/42/32/994394232.db2.gz AHYDJWANCLLJMQ-UHFFFAOYSA-N -1 0 346.433 3.999 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)c1cc2c(cccc2C)o1 ZINC001599644046 994399964 /nfs/dbraw/zinc/39/99/64/994399964.db2.gz UMUYAKMGOULDFG-UHFFFAOYSA-N -1 0 326.304 3.667 20 0 EHADRM COc1cccc(C(=O)[O-])c1N(C)C(=O)[C@H](C)c1cccc(Cl)c1 ZINC001599646506 994432274 /nfs/dbraw/zinc/43/22/74/994432274.db2.gz XWWIGROOWDLILT-LLVKDONJSA-N -1 0 347.798 3.813 20 0 EHADRM CNC(=O)Nc1cc(N[C@@H](C)c2ccc(C(=O)[O-])cc2C)ccc1F ZINC001598650558 994435525 /nfs/dbraw/zinc/43/55/25/994435525.db2.gz KAGSCUICGDWJPV-NSHDSACASA-N -1 0 345.374 3.757 20 0 EHADRM COc1cccc([C@H](C(=O)[O-])N(C)Cc2sccc2Cl)c1 ZINC001599651198 994502639 /nfs/dbraw/zinc/50/26/39/994502639.db2.gz USAHOGFJVPWBDN-CQSZACIVSA-N -1 0 325.817 3.668 20 0 EHADRM COc1cccc([C@H](C)CCCC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)c1 ZINC001599655722 994576257 /nfs/dbraw/zinc/57/62/57/994576257.db2.gz YDVMZNQUWXHEPB-INMHGKMJSA-N -1 0 347.455 3.729 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)OCc2cc(C(=O)[O-])ccc2F)c1 ZINC001599655758 994576748 /nfs/dbraw/zinc/57/67/48/994576748.db2.gz ZJIOZJHFSHCDGL-LBPRGKRZSA-N -1 0 346.354 3.770 20 0 EHADRM CN(C(=O)c1nn(-c2cccc(F)c2)cc1[O-])C1CCC(C)(C)CC1 ZINC000339906836 1015876573 /nfs/dbraw/zinc/87/65/73/1015876573.db2.gz IAXJLAXPILYFEG-UHFFFAOYSA-N -1 0 345.418 3.758 20 0 EHADRM O=S(=O)([N-]c1ncccc1Cl)c1c(Cl)cccc1Cl ZINC000180194881 1015879927 /nfs/dbraw/zinc/87/99/27/1015879927.db2.gz HERLBUCRQNPGCM-UHFFFAOYSA-N -1 0 337.615 3.843 20 0 EHADRM COc1cccc([C@@H]2C[C@H]2C(=O)OCc2cc(C(=O)[O-])ccc2C)c1 ZINC001599665686 994726493 /nfs/dbraw/zinc/72/64/93/994726493.db2.gz NEDZSZVNPXEABL-ZWKOTPCHSA-N -1 0 340.375 3.549 20 0 EHADRM CNc1ccc(C(=O)NCCCCC2(C(=O)[O-])CCC2)c(Cl)c1 ZINC001598678479 994887607 /nfs/dbraw/zinc/88/76/07/994887607.db2.gz OTJFPEMUMURUQK-UHFFFAOYSA-N -1 0 338.835 3.537 20 0 EHADRM COc1cccc(Cl)c1CC(=O)Nc1scc(C)c1C(=O)[O-] ZINC001599675868 994896010 /nfs/dbraw/zinc/89/60/10/994896010.db2.gz AVVPSYJJLGWVMH-UHFFFAOYSA-N -1 0 339.800 3.598 20 0 EHADRM CNc1ccc(Cl)c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C)cc2)c1 ZINC001598679780 994908850 /nfs/dbraw/zinc/90/88/50/994908850.db2.gz MPAOVPJHFANLRC-INIZCTEOSA-N -1 0 346.814 3.636 20 0 EHADRM C[C@H](Nc1cc(CC(=O)[O-])ccn1)c1ccc(Br)cc1 ZINC001593360663 995026081 /nfs/dbraw/zinc/02/60/81/995026081.db2.gz XDIILKAHKBPPLS-JTQLQIEISA-N -1 0 335.201 3.644 20 0 EHADRM C[C@H](Nc1ccc(C(=O)[O-])nn1)c1cccc(SC(F)(F)F)c1 ZINC001593363169 995035301 /nfs/dbraw/zinc/03/53/01/995035301.db2.gz PNDQPIBHKLKBEC-QMMMGPOBSA-N -1 0 343.330 3.960 20 0 EHADRM C[C@@H](Nc1ncnc2cccc(F)c21)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593373456 995067380 /nfs/dbraw/zinc/06/73/80/995067380.db2.gz FFKLEDVNSZHFKY-TZMCWYRMSA-N -1 0 339.370 3.513 20 0 EHADRM COC(=O)[C@@H](Sc1nc(C(=O)[O-])cs1)c1ccccc1Cl ZINC001598713060 995371295 /nfs/dbraw/zinc/37/12/95/995371295.db2.gz SZIXDTIVBMRVKE-JTQLQIEISA-N -1 0 343.813 3.501 20 0 EHADRM COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)N1CCC[C@@H](C2CCC2)CC1 ZINC001598713269 995372577 /nfs/dbraw/zinc/37/25/77/995372577.db2.gz OWWSZGHICWFMQV-CRAIPNDOSA-N -1 0 345.439 3.501 20 0 EHADRM C[C@H](OC(=O)C(C)(C)COCc1ccccc1)c1ccc(C(=O)[O-])o1 ZINC001593485780 995449528 /nfs/dbraw/zinc/44/95/28/995449528.db2.gz UHBZLLHGLJKNAT-ZDUSSCGKSA-N -1 0 346.379 3.825 20 0 EHADRM C[C@@H](OC(=O)C1(Cc2ccccc2)CCC1)c1cc(C(=O)[O-])co1 ZINC001593497182 995482340 /nfs/dbraw/zinc/48/23/40/995482340.db2.gz XYPVWXLXLTWIDB-CYBMUJFWSA-N -1 0 328.364 3.995 20 0 EHADRM C[C@H](OC(=O)[C@H]1C[C@H]1c1c(F)cccc1F)c1cc(C(=O)[O-])co1 ZINC001593501706 995506014 /nfs/dbraw/zinc/50/60/14/995506014.db2.gz UWPLYZOAPRHFNJ-GDPRMGEGSA-N -1 0 336.290 3.664 20 0 EHADRM C[C@@H](OC(=O)CCCC(=O)c1ccccc1)c1cc(C(=O)[O-])co1 ZINC001593516587 995547774 /nfs/dbraw/zinc/54/77/74/995547774.db2.gz SKPMQCXRTSWTSI-GFCCVEGCSA-N -1 0 330.336 3.635 20 0 EHADRM C[C@H](OC(=O)CCSc1ccc(F)cc1)c1ccc(C(=O)[O-])o1 ZINC001593524158 995560429 /nfs/dbraw/zinc/56/04/29/995560429.db2.gz CTUNUWBTTDKONG-JTQLQIEISA-N -1 0 338.356 3.904 20 0 EHADRM C[C@H](OC(=O)CCSc1ccccc1F)c1cc(C(=O)[O-])co1 ZINC001593525662 995565222 /nfs/dbraw/zinc/56/52/22/995565222.db2.gz OKELKTAYLVZFNA-JTQLQIEISA-N -1 0 338.356 3.904 20 0 EHADRM C[C@@H](OC(=O)c1cc(C(=O)[O-])co1)c1ccc(C(F)(F)F)cc1 ZINC001593556643 995645422 /nfs/dbraw/zinc/64/54/22/995645422.db2.gz SZSOPWVSLSPEQM-MRVPVSSYSA-N -1 0 328.242 3.915 20 0 EHADRM C[C@H](OC(=O)c1cc(C2CC2)oc1C1CC1)c1nc(C(=O)[O-])co1 ZINC001593556765 995646842 /nfs/dbraw/zinc/64/68/42/995646842.db2.gz XKZRGIQACKRWOZ-QMMMGPOBSA-N -1 0 331.324 3.639 20 0 EHADRM C[C@@H](OC(=O)c1ccc(-c2ccc(C(=O)[O-])cc2)cc1)C(=O)C1CC1 ZINC001593572413 995667199 /nfs/dbraw/zinc/66/71/99/995667199.db2.gz BQXXRIMVVODYMS-GFCCVEGCSA-N -1 0 338.359 3.576 20 0 EHADRM C[C@H](OC(=O)c1ccc(C(=O)[O-])o1)c1ncc(-c2ccccc2)o1 ZINC001593574435 995678794 /nfs/dbraw/zinc/67/87/94/995678794.db2.gz JBUSWTMIKPAJJS-JTQLQIEISA-N -1 0 327.292 3.551 20 0 EHADRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])cc1F)c1ncc(C(C)(C)C)o1 ZINC001593575040 995681213 /nfs/dbraw/zinc/68/12/13/995681213.db2.gz NWEGIJIWNNGBIB-SECBINFHSA-N -1 0 335.331 3.727 20 0 EHADRM C[C@@H](OC(=O)c1ccc2c(c1)OC(C)(C)C2)c1cc(C(=O)[O-])co1 ZINC001593584531 995698216 /nfs/dbraw/zinc/69/82/16/995698216.db2.gz BJCRAWLKLUUAQU-SNVBAGLBSA-N -1 0 330.336 3.609 20 0 EHADRM C[C@H](OC(=O)c1sccc1Br)c1cc(C(=O)[O-])co1 ZINC001593601147 995755373 /nfs/dbraw/zinc/75/53/73/995755373.db2.gz HYCPWUHWTPYAHR-LURJTMIESA-N -1 0 345.170 3.720 20 0 EHADRM C[C@H](OC1CCCCCC1)C(=O)NC[C@H](CC1CCCC1)C(=O)[O-] ZINC001593602461 995763713 /nfs/dbraw/zinc/76/37/13/995763713.db2.gz GGFXBLQTXDGTLK-HOCLYGCPSA-N -1 0 339.476 3.512 20 0 EHADRM C[C@@H](OC1CCCCC1)C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001593603617 995771397 /nfs/dbraw/zinc/77/13/97/995771397.db2.gz XXQQHOLTGOATNH-LLVKDONJSA-N -1 0 330.384 3.542 20 0 EHADRM C[C@@H](Oc1ccc(NC(=O)CCC[Si](C)(C)C)cc1F)C(=O)[O-] ZINC001593625961 995892714 /nfs/dbraw/zinc/89/27/14/995892714.db2.gz CWAFCCCRUNLKTN-LLVKDONJSA-N -1 0 341.455 3.735 20 0 EHADRM C[C@H](Oc1ccccc1)C(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001593641377 995951748 /nfs/dbraw/zinc/95/17/48/995951748.db2.gz ICDUTIGSHSGDGT-SCLBCKFNSA-N -1 0 340.375 3.773 20 0 EHADRM C[C@H](SCC(=O)Nc1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC001593656507 996025905 /nfs/dbraw/zinc/02/59/05/996025905.db2.gz GVZHVVKWSXWOIQ-NSHDSACASA-N -1 0 333.384 3.957 20 0 EHADRM C[C@@H](SCc1ccc(C(=O)[O-])c(Cl)c1)C(=O)NC1CCCC1 ZINC001593661640 996038722 /nfs/dbraw/zinc/03/87/22/996038722.db2.gz JTFVOOHMUWLSMF-SNVBAGLBSA-N -1 0 341.860 3.719 20 0 EHADRM C[C@H](SCc1cccc(C(=O)[O-])c1)C(=O)N[C@@H]1CCCC[C@H]1C ZINC001593661607 996038945 /nfs/dbraw/zinc/03/89/45/996038945.db2.gz IZVFVYKNYVAEBL-DVOMOZLQSA-N -1 0 335.469 3.701 20 0 EHADRM C[C@@H](SCc1ccccc1)C(=O)O[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001593663758 996045825 /nfs/dbraw/zinc/04/58/25/996045825.db2.gz RFENPAMWDAGZFE-NWDGAFQWSA-N -1 0 334.393 3.904 20 0 EHADRM C[C@H](SCc1noc(CCC(=O)[O-])n1)c1cccc(Cl)c1F ZINC001593664335 996050695 /nfs/dbraw/zinc/05/06/95/996050695.db2.gz NFTJAAHQWRCTDE-QMMMGPOBSA-N -1 0 344.795 3.874 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)Oc1cc(F)cc(F)c1)C(=O)[O-] ZINC001593674079 996087654 /nfs/dbraw/zinc/08/76/54/996087654.db2.gz WEJDMHNABGSJLN-VIFPVBQESA-N -1 0 338.331 3.749 20 0 EHADRM C[C@H](c1ccc(C(=O)OC2CC(CC(=O)[O-])C2)cc1)C(F)(F)F ZINC001593692568 996139934 /nfs/dbraw/zinc/13/99/34/996139934.db2.gz CPWMHUHALVNJKC-TTXORMCVSA-N -1 0 330.302 3.763 20 0 EHADRM C[C@H](c1ccccc1)N(C(=O)CCSCC(=O)[O-])C1CCCC1 ZINC001593704887 996185874 /nfs/dbraw/zinc/18/58/74/996185874.db2.gz DOQVBHXDXRAENQ-CQSZACIVSA-N -1 0 335.469 3.727 20 0 EHADRM C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC001593705926 996193793 /nfs/dbraw/zinc/19/37/93/996193793.db2.gz LJZOQBCCNSNNPM-UGSOOPFHSA-N -1 0 341.382 3.932 20 0 EHADRM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001593709787 996206762 /nfs/dbraw/zinc/20/67/62/996206762.db2.gz FALAXSAQYSJJIZ-CYBMUJFWSA-N -1 0 326.396 3.716 20 0 EHADRM C[C@@H](c1ccccc1)n1cnnc1SCc1cc(C(=O)[O-])cs1 ZINC001593714688 996232033 /nfs/dbraw/zinc/23/20/33/996232033.db2.gz ZHAWXBBFKVKNTG-NSHDSACASA-N -1 0 345.449 3.939 20 0 EHADRM C[C@H](c1ccccn1)N(C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001593717282 996235175 /nfs/dbraw/zinc/23/51/75/996235175.db2.gz JIYOGPOLUXCTMQ-SNVBAGLBSA-N -1 0 333.775 3.658 20 0 EHADRM C[C@]1(C(=O)N2C[C@H](C(=O)[O-])Cc3ccccc32)CCCc2ccccc21 ZINC001593745665 996375672 /nfs/dbraw/zinc/37/56/72/996375672.db2.gz WUGYMWMJHCCIAP-VGSWGCGISA-N -1 0 349.430 3.571 20 0 EHADRM C[C@@]1(C(=O)[O-])CCCN(C(=O)C2=C(c3ccccc3)CCCC2)C1 ZINC001593764560 996438894 /nfs/dbraw/zinc/43/88/94/996438894.db2.gz JENCKVQBZNIPOC-HXUWFJFHSA-N -1 0 327.424 3.728 20 0 EHADRM C[C@]1(C(=O)[O-])CCCN(C(=O)Nc2cccc(CC(F)(F)F)c2)C1 ZINC001593771920 996467415 /nfs/dbraw/zinc/46/74/15/996467415.db2.gz ZQJOPHQRZBQEJR-HNNXBMFYSA-N -1 0 344.333 3.510 20 0 EHADRM COC(=O)C[C@H](C)S[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001598840998 996525295 /nfs/dbraw/zinc/52/52/95/996525295.db2.gz VOTLPRDKRNAVFH-MADCSZMMSA-N -1 0 337.224 3.804 20 0 EHADRM CC1(C(=O)[O-])CN(C(=O)c2cc3sc4ccccc4c3s2)C1 ZINC001593805094 996534251 /nfs/dbraw/zinc/53/42/51/996534251.db2.gz VPFNPZSFNLRHIO-UHFFFAOYSA-N -1 0 331.418 3.663 20 0 EHADRM CC1(C)CC(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)[O-])CC(C)(C)C1 ZINC001593848342 996619590 /nfs/dbraw/zinc/61/95/90/996619590.db2.gz PHPMDCCQDRBKCU-MRXNPFEDSA-N -1 0 349.446 3.790 20 0 EHADRM CC1(C)C[C@H](NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)c2ccccc21 ZINC001593856258 996641492 /nfs/dbraw/zinc/64/14/92/996641492.db2.gz AIQBNLBSNDPCCN-PBHICJAKSA-N -1 0 344.455 3.695 20 0 EHADRM CC1(C)C[C@H](NC(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)c2ccccc21 ZINC001593857517 996645227 /nfs/dbraw/zinc/64/52/27/996645227.db2.gz VPMAXGORAZKVKP-FGSXEWAUSA-N -1 0 349.430 3.784 20 0 EHADRM CC1(C)C[C@H](O)c2cccc(NCc3ccc(/C=C/C(=O)[O-])o3)c2O1 ZINC001593861909 996657303 /nfs/dbraw/zinc/65/73/03/996657303.db2.gz NDQVFEZAUSUXKG-FDMDGMSGSA-N -1 0 343.379 3.584 20 0 EHADRM CC1(C)CCC(C)(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)CC1 ZINC001593874004 996686808 /nfs/dbraw/zinc/68/68/08/996686808.db2.gz IWFGVSCQHQVJBS-UHFFFAOYSA-N -1 0 342.439 3.815 20 0 EHADRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)[C@@H]2CCC(C)(C)O2)s1 ZINC001593874949 996692771 /nfs/dbraw/zinc/69/27/71/996692771.db2.gz UVDSSOBXAFBVHQ-JTQLQIEISA-N -1 0 325.430 3.640 20 0 EHADRM CC1(C)CC[C@@H](NC(=O)NCCCCC(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001593882540 996714272 /nfs/dbraw/zinc/71/42/72/996714272.db2.gz XJORTISBWPJPNG-IAGOWNOFSA-N -1 0 346.471 3.903 20 0 EHADRM CC1(C)Cc2ccc(C(=O)N[C@@]3(C(=O)[O-])CCCC(C)(C)C3)cc2O1 ZINC001593892040 996739489 /nfs/dbraw/zinc/73/94/89/996739489.db2.gz JIQDTEORZRLJKA-FQEVSTJZSA-N -1 0 345.439 3.554 20 0 EHADRM CC1(C)CCCN(C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)CC1 ZINC001593903920 996778828 /nfs/dbraw/zinc/77/88/28/996778828.db2.gz PTTSHYWHGIJWSP-UHFFFAOYSA-N -1 0 329.400 3.910 20 0 EHADRM CC1(C)CN(C(=O)NCCCCCCC(=O)[O-])CCc2ccccc21 ZINC001593929178 996887322 /nfs/dbraw/zinc/88/73/22/996887322.db2.gz MXIMXYXVNDGJBI-UHFFFAOYSA-N -1 0 346.471 3.567 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)[C@H](C)[C@H](C)C(C)(C)C)c1F ZINC001599489794 996917566 /nfs/dbraw/zinc/91/75/66/996917566.db2.gz QFAAFASBIIBDGY-ZJUUUORDSA-N -1 0 325.380 3.789 20 0 EHADRM CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000780512261 1032138081 /nfs/dbraw/zinc/13/80/81/1032138081.db2.gz BSZQEFGXLHNRKL-AWEZNQCLSA-N -1 0 342.395 3.656 20 0 EHADRM COCc1cc(NC(=O)N(C)[C@@H]2CCC(C)(C)C2)cc(C(=O)[O-])c1 ZINC001599283485 996933756 /nfs/dbraw/zinc/93/37/56/996933756.db2.gz ISBCWLFUMKCPTQ-OAHLLOKOSA-N -1 0 334.416 3.574 20 0 EHADRM CC1(C)CN(Cc2ccccc2OCC(=O)[O-])[C@@H]1c1cccs1 ZINC001593944838 996982347 /nfs/dbraw/zinc/98/23/47/996982347.db2.gz IOPKOVQBPRNZAD-QGZVFWFLSA-N -1 0 331.437 3.795 20 0 EHADRM COCc1cc(NC(=O)NCc2csc(C)c2C)cc(C(=O)[O-])c1 ZINC001599286377 996986734 /nfs/dbraw/zinc/98/67/34/996986734.db2.gz STYUIJJVTQQLHJ-UHFFFAOYSA-N -1 0 348.424 3.531 20 0 EHADRM COCc1cc(NC(=O)Nc2cccc3cc[nH]c32)cc(C(=O)[O-])c1 ZINC001599288959 997029371 /nfs/dbraw/zinc/02/93/71/997029371.db2.gz QBIAKIBPEAOYKT-UHFFFAOYSA-N -1 0 339.351 3.657 20 0 EHADRM COc1ccc(C(=O)[O-])cc1CN(C)[C@H](C)c1cc(F)ccc1F ZINC001599498299 997059407 /nfs/dbraw/zinc/05/94/07/997059407.db2.gz IAKHJYBIDQZZCA-LLVKDONJSA-N -1 0 335.350 3.865 20 0 EHADRM COc1ccc(C(=O)[O-])cc1CN(Cc1c(F)cccc1F)C1CC1 ZINC001599498677 997067660 /nfs/dbraw/zinc/06/76/60/997067660.db2.gz FNWSZDQJNBMCNR-UHFFFAOYSA-N -1 0 347.361 3.836 20 0 EHADRM COc1cc(C)c(N[C@@H](C)c2ccccc2OCC(=O)[O-])cc1F ZINC001599394089 997092846 /nfs/dbraw/zinc/09/28/46/997092846.db2.gz WIFXWFQVPRXIQE-LBPRGKRZSA-N -1 0 333.359 3.779 20 0 EHADRM COc1ccc(C(=O)[O-])cc1CN1CCc2cccc(F)c2[C@H]1C ZINC001599499790 997094224 /nfs/dbraw/zinc/09/42/24/997094224.db2.gz BTFCULVSODEKOX-GFCCVEGCSA-N -1 0 329.371 3.652 20 0 EHADRM COCc1ccc(COC(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC001599293326 997096822 /nfs/dbraw/zinc/09/68/22/997096822.db2.gz GHZQNEHETPJFSM-UHFFFAOYSA-N -1 0 334.755 3.542 20 0 EHADRM COCc1ccc(CSc2nc3ccc(C(=O)[O-])cc3o2)cc1 ZINC001599293570 997099058 /nfs/dbraw/zinc/09/90/58/997099058.db2.gz JUHODUZYIBUBLQ-UHFFFAOYSA-N -1 0 329.377 3.965 20 0 EHADRM COc1cc(C)ccc1N[C@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001599395336 997115459 /nfs/dbraw/zinc/11/54/59/997115459.db2.gz YOINEDRUFHTIIY-CYBMUJFWSA-N -1 0 342.395 3.531 20 0 EHADRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)[C@@H]1CCCCC1(C)C ZINC001599395792 997122873 /nfs/dbraw/zinc/12/28/73/997122873.db2.gz AIWBVEIJMAYMTB-GDAGCXPBSA-N -1 0 332.396 3.915 20 0 EHADRM CC1(C)Cc2cccc(C(=O)Nc3cc(C(=O)[O-])c(F)cc3F)c2O1 ZINC001593969262 997130959 /nfs/dbraw/zinc/13/09/59/997130959.db2.gz GXIZYEFRGFAHMG-UHFFFAOYSA-N -1 0 347.317 3.629 20 0 EHADRM COCc1ccccc1CNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001599296506 997153560 /nfs/dbraw/zinc/15/35/60/997153560.db2.gz UJYHGMFNDDFIQF-UHFFFAOYSA-N -1 0 348.786 3.506 20 0 EHADRM COC1(CNC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)CCCCCC1 ZINC001599089505 997163586 /nfs/dbraw/zinc/16/35/86/997163586.db2.gz GXEQUPJDBNADRD-AWEZNQCLSA-N -1 0 348.443 3.736 20 0 EHADRM COc1cc(C=CC(=O)[O-])ccc1OCC(=O)c1ccc(C)cc1C ZINC001599398338 997170021 /nfs/dbraw/zinc/17/00/21/997170021.db2.gz DOOIKDBETBMFDL-TWGQIWQCSA-N -1 0 340.375 3.672 20 0 EHADRM COC1(CNC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)CCC(C)CC1 ZINC001599090425 997181927 /nfs/dbraw/zinc/18/19/27/997181927.db2.gz YKHRBTYVZQBCEC-BIWSTMPVSA-N -1 0 348.443 3.592 20 0 EHADRM COc1ccc(C(=O)OC2CCC(CC(=O)[O-])CC2)c(Cl)c1 ZINC001599504272 997183638 /nfs/dbraw/zinc/18/36/38/997183638.db2.gz ZLMMEXAEWUMAGD-UHFFFAOYSA-N -1 0 326.776 3.539 20 0 EHADRM COCc1ccsc1C(=O)Oc1c(C(=O)[O-])ccc2ccccc21 ZINC001599298111 997183781 /nfs/dbraw/zinc/18/37/81/997183781.db2.gz XGGNYQWPLRLJKP-UHFFFAOYSA-N -1 0 342.372 3.965 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)OCC2CCCCC2)cc1 ZINC001599512131 997316277 /nfs/dbraw/zinc/31/62/77/997316277.db2.gz LUOKVHHITAOOQU-INIZCTEOSA-N -1 0 335.400 3.518 20 0 EHADRM COC1CCC(CC(=O)O[C@@H]2CCCc3cc(C(=O)[O-])ccc32)CC1 ZINC001599100385 997370889 /nfs/dbraw/zinc/37/08/89/997370889.db2.gz VDFQYNXEWOGBAZ-PVCYVWKFSA-N -1 0 346.423 3.901 20 0 EHADRM COc1cc(CNC(=O)/C=C\C2CCCCCC2)ccc1C(=O)[O-] ZINC001599408889 997383262 /nfs/dbraw/zinc/38/32/62/997383262.db2.gz IVUUASPMCXJKGW-LUAWRHEFSA-N -1 0 331.412 3.536 20 0 EHADRM CON(C(=O)CCCCC(=O)[O-])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001599310036 997397349 /nfs/dbraw/zinc/39/73/49/997397349.db2.gz NWUFXOKZVIKVDI-LLVKDONJSA-N -1 0 347.333 3.801 20 0 EHADRM CON(C(=O)c1ccc(C)c(C(=O)[O-])c1)[C@@H](C)c1ccccc1C ZINC001599311617 997425230 /nfs/dbraw/zinc/42/52/30/997425230.db2.gz NRXGOTILQWJKBD-AWEZNQCLSA-N -1 0 327.380 3.766 20 0 EHADRM CON(C(=O)c1sc2cc(C)ccc2c1Cl)[C@@H](C)CC(=O)[O-] ZINC001599312494 997440172 /nfs/dbraw/zinc/44/01/72/997440172.db2.gz FISDTFIVZOPTEK-VIFPVBQESA-N -1 0 341.816 3.730 20 0 EHADRM COCCC(C)(C)CNC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001599209059 997465968 /nfs/dbraw/zinc/46/59/68/997465968.db2.gz BFFKTAIFWSCQBX-UHFFFAOYSA-N -1 0 344.411 3.722 20 0 EHADRM CC(C)C(=O)Nc1cccc(NC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000047489868 1016126832 /nfs/dbraw/zinc/12/68/32/1016126832.db2.gz GLYLOLTXOYLQPI-UHFFFAOYSA-N -1 0 332.787 3.892 20 0 EHADRM CON(C[C@@H]1CCC[C@H](C)C1)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001599318261 997536519 /nfs/dbraw/zinc/53/65/19/997536519.db2.gz XYCXONHSPNEHQC-LSDHHAIUSA-N -1 0 325.449 3.628 20 0 EHADRM CO[C@@H]1CCC[C@@H](CC(=O)O[C@H]2CCCc3cc(C(=O)[O-])ccc32)C1 ZINC001599111863 997583932 /nfs/dbraw/zinc/58/39/32/997583932.db2.gz GTNQPPQYNBTDIF-QBIMZIAESA-N -1 0 346.423 3.901 20 0 EHADRM CO[C@H]1CCC[C@@H](CC(=O)Oc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC001599112527 997595102 /nfs/dbraw/zinc/59/51/02/997595102.db2.gz NPYYZTNAGCZVNE-MNOVXSKESA-N -1 0 326.776 3.539 20 0 EHADRM CO[C@H]1CCC[C@@H](CC(=O)Nc2scc(C3CC3)c2C(=O)[O-])C1 ZINC001599112545 997595789 /nfs/dbraw/zinc/59/57/89/997595789.db2.gz NTRLTQUOHGSFOD-PWSUYJOCSA-N -1 0 337.441 3.858 20 0 EHADRM COc1cc(Cl)ccc1OC(=O)c1ccccc1CCC(=O)[O-] ZINC001599421235 997598183 /nfs/dbraw/zinc/59/81/83/997598183.db2.gz PTVHDDBCNQLSNY-UHFFFAOYSA-N -1 0 334.755 3.585 20 0 EHADRM COc1cc(F)cc(CNc2cc(C(=O)[O-])ccc2OC(C)C)c1 ZINC001599426025 997676411 /nfs/dbraw/zinc/67/64/11/997676411.db2.gz BTNVALFXFFDECL-UHFFFAOYSA-N -1 0 333.359 3.932 20 0 EHADRM COc1cc(NC(=O)/C=C/c2ccc3ccccc3n2)ccc1C(=O)[O-] ZINC001599432299 997779887 /nfs/dbraw/zinc/77/98/87/997779887.db2.gz UUNAMYIFQGIZQM-PKNBQFBNSA-N -1 0 348.358 3.594 20 0 EHADRM C[C@@]1(NC(=O)c2nc(-c3ccccc3)cs2)CCCC[C@@H]1C(=O)[O-] ZINC001594056024 997793285 /nfs/dbraw/zinc/79/32/85/997793285.db2.gz MIROTRSLYWKCQH-FZKQIMNGSA-N -1 0 344.436 3.573 20 0 EHADRM C[C@@]1(NC(=O)c2nc3ccccc3cc2Cl)CCCC[C@H]1C(=O)[O-] ZINC001594056302 997796599 /nfs/dbraw/zinc/79/65/99/997796599.db2.gz ONLCRRTXVHUQRY-KPZWWZAWSA-N -1 0 346.814 3.652 20 0 EHADRM COc1c(C)cnc(CN2CCCc3c(C(=O)[O-])ccc(C)c32)c1C ZINC001599334014 997799359 /nfs/dbraw/zinc/79/93/59/997799359.db2.gz NAVJFHZGSQVDGI-UHFFFAOYSA-N -1 0 340.423 3.666 20 0 EHADRM C[C@]1(NC(=O)c2ccc(C(F)F)c(F)c2)CCCC[C@H]1C(=O)[O-] ZINC001594056721 997802840 /nfs/dbraw/zinc/80/28/40/997802840.db2.gz SFVRUTJZVBTYRA-ZBEGNZNMSA-N -1 0 329.318 3.527 20 0 EHADRM C[C@@]1(NC(=O)c2coc3ccc(Cl)cc32)CCCC[C@@H]1C(=O)[O-] ZINC001594057236 997808573 /nfs/dbraw/zinc/80/85/73/997808573.db2.gz YOYRSYJKVTUKHQ-CXAGYDPISA-N -1 0 335.787 3.850 20 0 EHADRM C[C@]1(NC(=O)Nc2ccc(C(=O)[O-])s2)CCCc2ccccc21 ZINC001594057772 997813504 /nfs/dbraw/zinc/81/35/04/997813504.db2.gz OPILWHPXFLMNIK-KRWDZBQOSA-N -1 0 330.409 3.820 20 0 EHADRM COc1ccc(/C=C(\C)C(=O)NC2(CC(=O)[O-])CCCCC2)cc1F ZINC001599540894 997840797 /nfs/dbraw/zinc/84/07/97/997840797.db2.gz IKBBFEMHVPVKBY-JLHYYAGUSA-N -1 0 349.402 3.531 20 0 EHADRM COC(=O)c1cc(CSC[C@H]2CC2(Cl)Cl)cc(C(=O)[O-])c1 ZINC001598934746 997841830 /nfs/dbraw/zinc/84/18/30/997841830.db2.gz QUQLOOSQOBXTFK-LLVKDONJSA-N -1 0 349.235 3.598 20 0 EHADRM COc1c(NC(=O)N2CCC[C@H](C3CCC3)CC2)cccc1C(=O)[O-] ZINC001599339838 997903156 /nfs/dbraw/zinc/90/31/56/997903156.db2.gz LYMDBLFRLYJUKR-AWEZNQCLSA-N -1 0 346.427 3.828 20 0 EHADRM COc1ccc(/C=C2\C(=O)Nc3cc(F)c(C(=O)[O-])cc32)c(Cl)c1 ZINC001599544994 997909303 /nfs/dbraw/zinc/90/93/03/997909303.db2.gz YXCQHEGTQOLGJU-WCIBSUBMSA-N -1 0 347.729 3.679 20 0 EHADRM COc1c(NC(=O)N[C@@H](C)c2ccc(C)s2)cccc1C(=O)[O-] ZINC001599341301 997927028 /nfs/dbraw/zinc/92/70/28/997927028.db2.gz RWAAMFUOGNZBKZ-JTQLQIEISA-N -1 0 334.397 3.646 20 0 EHADRM COc1cc(NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c(C)cc1C ZINC001599440869 997927227 /nfs/dbraw/zinc/92/72/27/997927227.db2.gz ICIGODBSMXMKRD-UHFFFAOYSA-N -1 0 328.368 3.963 20 0 EHADRM COc1cc(NC(=O)c2c[nH]cc2-c2ccccc2)ccc1C(=O)[O-] ZINC001599441596 997938847 /nfs/dbraw/zinc/93/88/47/997938847.db2.gz RHEZPKBCLUVAMF-UHFFFAOYSA-N -1 0 336.347 3.641 20 0 EHADRM COc1cc(NC(=O)c2cc(C)c(Cl)cc2C)ccc1C(=O)[O-] ZINC001599441672 997939770 /nfs/dbraw/zinc/93/97/70/997939770.db2.gz XELGTUWMHACTJR-UHFFFAOYSA-N -1 0 333.771 3.916 20 0 EHADRM COc1c(NC(=O)N[C@H]2CCC(C)(C)C[C@H]2C)cccc1C(=O)[O-] ZINC001599342480 997944046 /nfs/dbraw/zinc/94/40/46/997944046.db2.gz XKQBMMQTPFMRGM-YPMHNXCESA-N -1 0 334.416 3.730 20 0 EHADRM COc1ccc(/C=C/C(=O)[O-])cc1OCc1nc(C(C)(C)C)co1 ZINC001599547869 997954930 /nfs/dbraw/zinc/95/49/30/997954930.db2.gz ZRVKDZVKRHXNNF-SOFGYWHQSA-N -1 0 331.368 3.658 20 0 EHADRM COc1cc(NC(=O)c2cc3c(cc(C)cc3C)[nH]2)ccc1C(=O)[O-] ZINC001599442769 997957256 /nfs/dbraw/zinc/95/72/56/997957256.db2.gz ZDCNYWDCVIQHIK-UHFFFAOYSA-N -1 0 338.363 3.744 20 0 EHADRM COc1cc(NC(=O)c2ccsc2C(=O)[O-])cc(OC)c1C(C)C ZINC001599442804 997957699 /nfs/dbraw/zinc/95/76/99/997957699.db2.gz MQWXEYXPVYVHLD-UHFFFAOYSA-N -1 0 349.408 3.839 20 0 EHADRM CC1(c2ccccc2C(=O)Nc2nc3c(cccc3C(=O)[O-])[nH]2)CC1 ZINC001594081624 997985182 /nfs/dbraw/zinc/98/51/82/997985182.db2.gz PXULEUVQDHSCJI-UHFFFAOYSA-N -1 0 335.363 3.565 20 0 EHADRM Cc1sc(NC(=O)CCCCC(=O)[O-])nc1-c1ccc(F)cc1 ZINC000655551557 1016174604 /nfs/dbraw/zinc/17/46/04/1016174604.db2.gz AVPPDYGQVIIPRT-UHFFFAOYSA-N -1 0 336.388 3.841 20 0 EHADRM COc1c(Nc2ccc3nc(C(C)C)sc3c2)ncnc1C(=O)[O-] ZINC001599345764 998003841 /nfs/dbraw/zinc/00/38/41/998003841.db2.gz YTTNCGLWWYXXMM-UHFFFAOYSA-N -1 0 344.396 3.660 20 0 EHADRM COc1cc(OC(=O)[C@H]2CCSc3ccccc32)ccc1C(=O)[O-] ZINC001599446396 998016285 /nfs/dbraw/zinc/01/62/85/998016285.db2.gz ZDJQVWGGXTWHBR-ZDUSSCGKSA-N -1 0 344.388 3.578 20 0 EHADRM COc1cc(O[C@@H](C)c2nc(-c3ccccc3)no2)ccc1C(=O)[O-] ZINC001599447693 998035889 /nfs/dbraw/zinc/03/58/89/998035889.db2.gz SJBNUZINDTXIRN-NSHDSACASA-N -1 0 340.335 3.583 20 0 EHADRM COc1cc(OC)c(OC)cc1CSCC1(C(=O)[O-])CCCC1 ZINC001599449728 998071209 /nfs/dbraw/zinc/07/12/09/998071209.db2.gz MQLQARFGLPKZCE-UHFFFAOYSA-N -1 0 340.441 3.591 20 0 EHADRM COc1cc(C(=O)N(CCC(=O)[O-])c2ccccc2C)ccc1Cl ZINC001599350605 998087110 /nfs/dbraw/zinc/08/71/10/998087110.db2.gz FCXWTZDOHSKBJC-UHFFFAOYSA-N -1 0 347.798 3.779 20 0 EHADRM COC(=O)c1cc(NCc2c3ccccc3[nH]c2C(=O)[O-])ccc1C ZINC001598948241 998096899 /nfs/dbraw/zinc/09/68/99/998096899.db2.gz KPAQTKNRZFLQCJ-UHFFFAOYSA-N -1 0 338.363 3.573 20 0 EHADRM Cc1ccccc1CCNC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1 ZINC000471260243 1016186068 /nfs/dbraw/zinc/18/60/68/1016186068.db2.gz YFTOKFNLLIYKEL-HXUWFJFHSA-N -1 0 331.456 3.715 20 0 EHADRM COC(=O)c1cc(OCc2c(C)cccc2Cl)cc(C(=O)[O-])c1 ZINC001598949518 998121914 /nfs/dbraw/zinc/12/19/14/998121914.db2.gz KLNHBYCFEKXHPY-UHFFFAOYSA-N -1 0 334.755 3.712 20 0 EHADRM COc1ccc(CN([C@H](C)c2ncc(C(=O)[O-])s2)C2CC2)cc1 ZINC001599558462 998140859 /nfs/dbraw/zinc/14/08/59/998140859.db2.gz BWQKPQAOPDAVFO-LLVKDONJSA-N -1 0 332.425 3.576 20 0 EHADRM COc1ccc(CN(C)[C@@H](C(=O)[O-])c2ccsc2)cc1Cl ZINC001599558556 998142516 /nfs/dbraw/zinc/14/25/16/998142516.db2.gz GSUKGBFSISNHRM-CQSZACIVSA-N -1 0 325.817 3.668 20 0 EHADRM COC(=O)c1cc(OCc2ccccc2C(C)C)cc(C(=O)[O-])c1 ZINC001598951203 998156021 /nfs/dbraw/zinc/15/60/21/998156021.db2.gz AOJHTJGRXHQDHD-UHFFFAOYSA-N -1 0 328.364 3.874 20 0 EHADRM COc1cc(C(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)ccc1Cl ZINC001599355619 998173609 /nfs/dbraw/zinc/17/36/09/998173609.db2.gz DRXWNVQDAOPXCO-JTQLQIEISA-N -1 0 333.771 3.789 20 0 EHADRM COc1cc(C(=O)Nc2scc(C(=O)[O-])c2C)c2ccccc2n1 ZINC001599356383 998186104 /nfs/dbraw/zinc/18/61/04/998186104.db2.gz KDGXKGLBKAIFCH-UHFFFAOYSA-N -1 0 342.376 3.564 20 0 EHADRM CC1=C(c2ccco2)CN(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC001594109683 998196163 /nfs/dbraw/zinc/19/61/63/998196163.db2.gz JVGIZYBHHWBPHL-UHFFFAOYSA-N -1 0 344.342 3.828 20 0 EHADRM CC1=C(c2ccco2)CN(C(=O)NCC2(C(=O)[O-])CCCCC2)CC1 ZINC001594110343 998208984 /nfs/dbraw/zinc/20/89/84/998208984.db2.gz UIBUZLVHZYUTIQ-UHFFFAOYSA-N -1 0 346.427 3.504 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1O ZINC001599358524 998220639 /nfs/dbraw/zinc/22/06/39/998220639.db2.gz POOJAENNLWOBCZ-JHJVBQTASA-N -1 0 347.411 3.644 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)C[C@@H](C)CCC=C(C)C)c1O ZINC001599358793 998224369 /nfs/dbraw/zinc/22/43/69/998224369.db2.gz DLXQKTNPMROPFM-LBPRGKRZSA-N -1 0 335.400 3.810 20 0 EHADRM COCCOCc1ccc(N[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC001599252194 998251856 /nfs/dbraw/zinc/25/18/56/998251856.db2.gz DUQMBYGMXVSIFI-KRWDZBQOSA-N -1 0 349.814 3.741 20 0 EHADRM COC(=O)c1cc2cc(N[C@@H]3C[C@@H]4C[C@H](C(=O)[O-])C[C@@H]34)ccc2s1 ZINC001598957507 998270108 /nfs/dbraw/zinc/27/01/08/998270108.db2.gz GUSFIOMGOHLROW-BNQQVVLKSA-N -1 0 345.420 3.599 20 0 EHADRM C[C@H]1C(=O)CC[C@@H](c2nc(-c3ccc(C(=O)[O-])cc3)no2)C1(C)C ZINC001594123319 998292568 /nfs/dbraw/zinc/29/25/68/998292568.db2.gz YNXWGHZBQYSKMQ-GWCFXTLKSA-N -1 0 328.368 3.544 20 0 EHADRM COCCOc1ccc(F)cc1N[C@H](C)c1cc(C(=O)[O-])cs1 ZINC001599259751 998365254 /nfs/dbraw/zinc/36/52/54/998365254.db2.gz WFYQBGAXXOGHMQ-SNVBAGLBSA-N -1 0 339.388 3.784 20 0 EHADRM COc1ccc(CNc2ccc(CCC(=O)[O-])cc2)c(C)c1OC ZINC001599573575 998406138 /nfs/dbraw/zinc/40/61/38/998406138.db2.gz DTKVLUUFVRDRHE-UHFFFAOYSA-N -1 0 329.396 3.642 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)N1C[C@@H](C)[C@@H]1c1ccccc1 ZINC001599371836 998422860 /nfs/dbraw/zinc/42/28/60/998422860.db2.gz YFDJZTLIWMDZSY-SJKOYZFVSA-N -1 0 340.379 3.618 20 0 EHADRM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000683329573 1016219812 /nfs/dbraw/zinc/21/98/12/1016219812.db2.gz UAJLPUDAFWRPFO-SECBINFHSA-N -1 0 339.800 3.814 20 0 EHADRM COc1ccc(-c2noc(-c3ccc(C(=O)[O-])c(F)c3)n2)cc1C ZINC001599471963 998465848 /nfs/dbraw/zinc/46/58/48/998465848.db2.gz RODCIOGSMMABBF-UHFFFAOYSA-N -1 0 328.299 3.558 20 0 EHADRM COc1ccc(Cn2ccnc2S[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC001599581096 998531483 /nfs/dbraw/zinc/53/14/83/998531483.db2.gz ZQYDTNKYMAKKOZ-HNNXBMFYSA-N -1 0 334.441 3.531 20 0 EHADRM COc1ccc(F)cc1C(=O)O[C@@H]1CCCc2cc(C(=O)[O-])ccc21 ZINC001599582168 998549450 /nfs/dbraw/zinc/54/94/50/998549450.db2.gz LPGDOORZTLPBDJ-QGZVFWFLSA-N -1 0 344.338 3.767 20 0 EHADRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)Nc1ccc2c(c1)C(C)(C)CC2(C)C ZINC001594155512 998560550 /nfs/dbraw/zinc/56/05/50/998560550.db2.gz BITHQZTUDGJGBB-GXTWGEPZSA-N -1 0 344.455 3.972 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC001594158586 998586795 /nfs/dbraw/zinc/58/67/95/998586795.db2.gz JMEREQHYVNRSGB-KWCYVHTRSA-N -1 0 349.496 3.834 20 0 EHADRM C[C@H]1[C@@H](C(F)(F)F)CCN1c1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001594177410 998688837 /nfs/dbraw/zinc/68/88/37/998688837.db2.gz XHVJOYXDOYRXSO-XPUUQOCRSA-N -1 0 342.239 3.576 20 0 EHADRM C[C@H]1[C@H](Nc2ccc(OCC(F)(F)F)cc2)CC[C@H]1CC(=O)[O-] ZINC001594184283 998714707 /nfs/dbraw/zinc/71/47/07/998714707.db2.gz IJMWTVMRIXFKBP-UHIISALHSA-N -1 0 331.334 3.929 20 0 EHADRM Cc1cccc(CN(Cc2ccccn2)C(=O)CCCCC(=O)[O-])c1 ZINC000655556783 1016244352 /nfs/dbraw/zinc/24/43/52/1016244352.db2.gz YTKAQTHABLIWPP-UHFFFAOYSA-N -1 0 340.423 3.564 20 0 EHADRM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1C(=O)c1cc(Cl)ccc1Cl ZINC001594205665 998790556 /nfs/dbraw/zinc/79/05/56/998790556.db2.gz HUFRKSLMQAEROR-RKDXNWHRSA-N -1 0 330.211 3.707 20 0 EHADRM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1C(=O)c1coc2ccc(Cl)cc21 ZINC001594207596 998800825 /nfs/dbraw/zinc/80/08/25/998800825.db2.gz GSUBUWGYHYNTOE-UWVGGRQHSA-N -1 0 335.787 3.800 20 0 EHADRM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001594217339 998837287 /nfs/dbraw/zinc/83/72/87/998837287.db2.gz ROTKZEDBRUIQRD-NOZJJQNGSA-N -1 0 340.370 3.999 20 0 EHADRM C[C@H]1C[C@H](CNC(=O)Cn2cc(C(=O)[O-])c3ccccc32)C[C@@H](C)C1 ZINC001594222860 998859120 /nfs/dbraw/zinc/85/91/20/998859120.db2.gz KHBUAFZPOSYNQM-FICVDOATSA-N -1 0 342.439 3.528 20 0 EHADRM C[C@@H]1C[C@@H](CCNC(=O)C23CCC(C(=O)[O-])(CC2)C3)CC(C)(C)C1 ZINC001594232825 998888492 /nfs/dbraw/zinc/88/84/92/998888492.db2.gz SEBVDJDJBOHOHE-SNEKZUEESA-N -1 0 335.488 3.990 20 0 EHADRM C[C@@H]1C[C@@H](CC(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)CC(C)(C)C1 ZINC001594232845 998888510 /nfs/dbraw/zinc/88/85/10/998888510.db2.gz SMTWHABHWYPCSF-KEYYUXOJSA-N -1 0 345.439 3.718 20 0 EHADRM C[C@H]1CC(F)(F)CCN1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001594244887 998933372 /nfs/dbraw/zinc/93/33/72/998933372.db2.gz AEHVPAHYRMJBBW-QMMMGPOBSA-N -1 0 332.734 3.690 20 0 EHADRM C[C@@H]1C[C@H](NC(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)CCS1 ZINC001594257783 998992147 /nfs/dbraw/zinc/99/21/47/998992147.db2.gz JVKPMLXCMGIYPF-HTQZYQBOSA-N -1 0 346.811 3.583 20 0 EHADRM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2cc(F)cc(C(=O)[O-])c2)C1 ZINC001594265759 999029590 /nfs/dbraw/zinc/02/95/90/999029590.db2.gz HXDITZXSSANWNM-PIGZYNQJSA-N -1 0 345.345 3.886 20 0 EHADRM CO[C@@](C)(C(=O)OCc1cc(C(=O)[O-])ccc1Cl)c1ccccc1 ZINC001599030047 999043971 /nfs/dbraw/zinc/04/39/71/999043971.db2.gz PRIZNPCCLQRIPZ-GOSISDBHSA-N -1 0 348.782 3.643 20 0 EHADRM C[C@H]1C[C@H](c2ccccc2)N(C(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC001594270675 999046316 /nfs/dbraw/zinc/04/63/16/999046316.db2.gz YOTCHROCNJZENR-YVEFUNNKSA-N -1 0 327.355 3.747 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)Nc2ccc(C(=O)[O-])cn2)C1 ZINC001594270690 999046384 /nfs/dbraw/zinc/04/63/84/999046384.db2.gz YVCPHBVTNQCMMG-NHYWBVRUSA-N -1 0 343.358 3.534 20 0 EHADRM CC1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001594290455 999118312 /nfs/dbraw/zinc/11/83/12/999118312.db2.gz AWKSHPLECGRXFR-OPBQOODWSA-N -1 0 328.412 3.670 20 0 EHADRM CO[C@H](C)c1nc(CSC[C@H]2CCCC[C@@H]2C(=O)[O-])cs1 ZINC001599042507 999127842 /nfs/dbraw/zinc/12/78/42/999127842.db2.gz NZQUSUMISCNQPB-WZRBSPASSA-N -1 0 329.487 3.975 20 0 EHADRM CC1CCC(=CC(=O)Nc2cccnc2SCCC(=O)[O-])CC1 ZINC001594292578 999128664 /nfs/dbraw/zinc/12/86/64/999128664.db2.gz RNIMLGQIBLYZNE-UHFFFAOYSA-N -1 0 334.441 3.723 20 0 EHADRM C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)C[C@H]1C ZINC001594296341 999141512 /nfs/dbraw/zinc/14/15/12/999141512.db2.gz MQYJTVIDZGTHGO-DEICHXMPSA-N -1 0 343.467 3.993 20 0 EHADRM CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)N1CCC(CC(=O)[O-])CC1 ZINC001594296549 999142783 /nfs/dbraw/zinc/14/27/83/999142783.db2.gz OAEJGDITBNHSDA-HYVNUMGLSA-N -1 0 338.492 3.591 20 0 EHADRM CO[C@@H](COC(=O)c1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001599055002 999223309 /nfs/dbraw/zinc/22/33/09/999223309.db2.gz BPZAKDSYZFPAAI-HNNXBMFYSA-N -1 0 334.755 3.583 20 0 EHADRM CO[C@@H](CS[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C)CC(C)C ZINC001599058638 999249070 /nfs/dbraw/zinc/24/90/70/999249070.db2.gz JNXDFOXPXFREJE-CHWSQXEVSA-N -1 0 341.473 3.695 20 0 EHADRM C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)c2ccc(/C=C\C(=O)[O-])o2)C1 ZINC001594330715 999271710 /nfs/dbraw/zinc/27/17/10/999271710.db2.gz XDVQYFQUSOZSDN-ZIVLIRHDSA-N -1 0 339.391 3.991 20 0 EHADRM CO[C@@H](c1noc(-c2ccc(C(=O)[O-])cc2)n1)c1cccc(Cl)c1 ZINC001599062309 999274613 /nfs/dbraw/zinc/27/46/13/999274613.db2.gz AJASCCXOKKAPCK-CQSZACIVSA-N -1 0 344.754 3.824 20 0 EHADRM C[C@@H]1CCC[C@H](N(C)C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C1 ZINC001594348308 999319685 /nfs/dbraw/zinc/31/96/85/999319685.db2.gz KRKAIHIPZKRVBV-ISWURRPUSA-N -1 0 330.428 3.917 20 0 EHADRM C[C@@H]1CCC[C@H](NC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C1 ZINC001594348743 999322723 /nfs/dbraw/zinc/32/27/23/999322723.db2.gz BDRMCQSZYKCHRX-VNQPRFMTSA-N -1 0 332.444 3.716 20 0 EHADRM C[C@@H]1CCC[C@@H](OCC(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)C1 ZINC001594354912 999340012 /nfs/dbraw/zinc/34/00/12/999340012.db2.gz GFQPVVDSZPWSKX-MWLCHTKSSA-N -1 0 343.782 3.711 20 0 EHADRM CC(C)Oc1ccc(NC(=O)CO[C@H]2CCC[C@H](C)C2)c(C(=O)[O-])c1 ZINC001594355422 999341324 /nfs/dbraw/zinc/34/13/24/999341324.db2.gz KEDJWBGQQQHWJZ-KBPBESRZSA-N -1 0 349.427 3.706 20 0 EHADRM C[C@@H]1CCC[C@@]1(C)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC001594358252 999355215 /nfs/dbraw/zinc/35/52/15/999355215.db2.gz WKTNOPXJDSZROI-MPBGBICISA-N -1 0 340.423 3.577 20 0 EHADRM C[C@@H]1CCCC[C@H]1CC(=O)N1CCCC[C@H]1c1ccc(C(=O)[O-])n1C ZINC001594364070 999375367 /nfs/dbraw/zinc/37/53/67/999375367.db2.gz SJMSQSFBBQEMKX-VYDXJSESSA-N -1 0 346.471 3.993 20 0 EHADRM C[C@@H]1CCCN(C(=O)CSc2cc3ccccc3cc2C(=O)[O-])C1 ZINC001594379234 999429980 /nfs/dbraw/zinc/42/99/80/999429980.db2.gz VYXYIIHEQDVITD-CYBMUJFWSA-N -1 0 343.448 3.889 20 0 EHADRM CC(C)c1ccc(/C=C/CC(=O)N2CC[C@@H](C)C[C@@H]2C(=O)[O-])cc1 ZINC001594396129 999492546 /nfs/dbraw/zinc/49/25/46/999492546.db2.gz JPORSGKAUSEFJR-CHABLROBSA-N -1 0 329.440 3.925 20 0 EHADRM C[C@@H]1CCN(C(=O)c2cc(F)cc(C(=O)[O-])c2)[C@H]1c1ccccc1 ZINC001594407198 999526536 /nfs/dbraw/zinc/52/65/36/999526536.db2.gz PBQPWSJGCLENTP-SJKOYZFVSA-N -1 0 327.355 3.747 20 0 EHADRM C[C@H]1CCc2ccccc2[C@H]1NC(=O)NCc1ccc(C(=O)[O-])s1 ZINC001594445427 999636996 /nfs/dbraw/zinc/63/69/96/999636996.db2.gz JGLFSCOBFUOTCB-ZBEGNZNMSA-N -1 0 344.436 3.569 20 0 EHADRM C[C@H]1CCc2ccccc2N1C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC001594445454 999637188 /nfs/dbraw/zinc/63/71/88/999637188.db2.gz JURVEOXODZLTAN-AWEZNQCLSA-N -1 0 348.402 3.707 20 0 EHADRM CC(C)[C@@H](CNC(=O)c1ccccc1Oc1ccccc1)C(=O)[O-] ZINC000655575113 1016371631 /nfs/dbraw/zinc/37/16/31/1016371631.db2.gz ZPXRGEOLZJECMS-MRXNPFEDSA-N -1 0 327.380 3.566 20 0 EHADRM C[C@H](NC(=O)c1ccccc1C(C)(C)C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655577141 1016391938 /nfs/dbraw/zinc/39/19/38/1016391938.db2.gz YKHKYRAOCGZNOT-VBNZEHGJSA-N -1 0 331.456 3.849 20 0 EHADRM Cc1[nH]c2c(cccc2C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1C ZINC000655578292 1016409026 /nfs/dbraw/zinc/40/90/26/1016409026.db2.gz PYHNSGHUVIPWRH-UHOFOFEASA-N -1 0 342.439 3.650 20 0 EHADRM C[C@@H](NC(=O)[C@H](C)c1ccc(Cl)s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655579711 1016461407 /nfs/dbraw/zinc/46/14/07/1016461407.db2.gz XBHIYXZKGQYENY-CHWFTXMASA-N -1 0 343.876 3.757 20 0 EHADRM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ncc(C(C)C)s1 ZINC000430391125 1016618125 /nfs/dbraw/zinc/61/81/25/1016618125.db2.gz UTZRNVYCIZYNCZ-UHFFFAOYSA-N -1 0 328.434 3.823 20 0 EHADRM CC(C)(C)OC(=O)CCSc1n[n-]c(=NC2CCCCC2)s1 ZINC000510241355 1016618916 /nfs/dbraw/zinc/61/89/16/1016618916.db2.gz WMFYXGHVNMATRH-UHFFFAOYSA-N -1 0 343.518 3.529 20 0 EHADRM Cc1nc([N-]S(=O)(=O)/C=C\c2cccc(Cl)c2)sc1C ZINC000588482128 1016817278 /nfs/dbraw/zinc/81/72/78/1016817278.db2.gz JDUVQAQYQYIVJW-SREVYHEPSA-N -1 0 328.846 3.826 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)c1F ZINC000180485408 1016899571 /nfs/dbraw/zinc/89/95/71/1016899571.db2.gz YYCFENUHDBMGAD-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM COc1ccccc1C1(CNC(=O)c2ccc(O)cc2F)CCCC1 ZINC000181170015 1016911500 /nfs/dbraw/zinc/91/15/00/1016911500.db2.gz GPQMFLHNAUALLY-UHFFFAOYSA-N -1 0 343.398 3.782 20 0 EHADRM C[C@H](NC(=O)c1cc2cc(F)ccc2s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655583665 1016936644 /nfs/dbraw/zinc/93/66/44/1016936644.db2.gz NDXDSIKRRFVJQI-TVYUQYBPSA-N -1 0 349.427 3.906 20 0 EHADRM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)NCCCCCC(=O)[O-] ZINC000414625322 1017064561 /nfs/dbraw/zinc/06/45/61/1017064561.db2.gz YUOKHPQIIWZWPU-HNNXBMFYSA-N -1 0 334.460 3.687 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCC[C@@H]1Cc1ccccc1 ZINC000183343966 1032162506 /nfs/dbraw/zinc/16/25/06/1032162506.db2.gz KBPCZBZAHGOJBC-GFCCVEGCSA-N -1 0 335.325 3.657 20 0 EHADRM O=C([O-])c1coc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1 ZINC000183751634 1032200560 /nfs/dbraw/zinc/20/05/60/1032200560.db2.gz ZSKFJNRMDSOKSF-LBPRGKRZSA-N -1 0 342.376 3.565 20 0 EHADRM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(C(=O)[O-])co1 ZINC000183770937 1032203745 /nfs/dbraw/zinc/20/37/45/1032203745.db2.gz NDSAYFSOLILCHR-UHFFFAOYSA-N -1 0 342.178 3.947 20 0 EHADRM CC(C)(C)CC[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)C(=O)[O-] ZINC000449133540 1032227969 /nfs/dbraw/zinc/22/79/69/1032227969.db2.gz DPKAFEKLLPLXJC-UTUOFQBUSA-N -1 0 337.382 3.751 20 0 EHADRM N=c1[n-]nc(-c2ccc(OCc3ccccc3C(F)(F)F)cc2)o1 ZINC000461056842 1032241858 /nfs/dbraw/zinc/24/18/58/1032241858.db2.gz IZEQSEUMVKKGCC-UHFFFAOYSA-N -1 0 335.285 3.747 20 0 EHADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1cccc2c1OCCO2 ZINC000389559314 1032271254 /nfs/dbraw/zinc/27/12/54/1032271254.db2.gz SVUOOMRCMFFHSK-UHFFFAOYSA-N -1 0 340.162 3.723 20 0 EHADRM Cc1cc(Cl)cnc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000461185990 1032316568 /nfs/dbraw/zinc/31/65/68/1032316568.db2.gz NIBIZNUKOUGCLK-UHFFFAOYSA-N -1 0 332.759 3.782 20 0 EHADRM CCCc1cnc([N-]S(=O)(=O)c2cc(Cl)ccc2C)s1 ZINC000538452924 1032380745 /nfs/dbraw/zinc/38/07/45/1032380745.db2.gz LALMCFGNPZWBBM-UHFFFAOYSA-N -1 0 330.862 3.858 20 0 EHADRM C[C@@H]1CCC[C@H](CC(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)C1 ZINC000262995167 1032407873 /nfs/dbraw/zinc/40/78/73/1032407873.db2.gz VSXBUPLYTGTZGT-FZCLSBEQSA-N -1 0 329.440 3.530 20 0 EHADRM Cc1c(NC(=O)NC(C)(C)CCC(=O)[O-])cccc1C(F)(F)F ZINC000263032050 1032415602 /nfs/dbraw/zinc/41/56/02/1032415602.db2.gz KRPLJCZOFSAGNL-UHFFFAOYSA-N -1 0 332.322 3.779 20 0 EHADRM O=C(Nc1c2c(cc3c1CCC3)CCC2)c1s[n-]c(=O)c1Cl ZINC000427627245 1032419468 /nfs/dbraw/zinc/41/94/68/1032419468.db2.gz YTZKUKABCVTLTK-UHFFFAOYSA-N -1 0 334.828 3.732 20 0 EHADRM C[C@H](C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000263056132 1032422255 /nfs/dbraw/zinc/42/22/55/1032422255.db2.gz AKQLRSVNFHIDEB-SCVCMEIPSA-N -1 0 344.238 3.809 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N(C)C2CCCCC2)n1 ZINC000084382301 1032424219 /nfs/dbraw/zinc/42/42/19/1032424219.db2.gz BJHCMYWTYQDCMY-UHFFFAOYSA-N -1 0 327.428 3.545 20 0 EHADRM C[C@H]1CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])C[C@@H]1O ZINC000089403371 1032528221 /nfs/dbraw/zinc/52/82/21/1032528221.db2.gz XYQDHAZSODWSFX-SJCJKPOMSA-N -1 0 345.826 3.556 20 0 EHADRM CCC[C@@](C)(NC(=O)Nc1ccc(OCC)c(Cl)c1)C(=O)[O-] ZINC000584429410 1032544362 /nfs/dbraw/zinc/54/43/62/1032544362.db2.gz KHNHZCZARZEMMZ-OAHLLOKOSA-N -1 0 328.796 3.504 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-] ZINC000601987099 1032583698 /nfs/dbraw/zinc/58/36/98/1032583698.db2.gz QSHJOQBUWISAAQ-SRVKXCTJSA-N -1 0 335.425 3.513 20 0 EHADRM C[C@@H](S[C@H](C)C(=O)Nc1cccc(CCC(F)(F)F)c1)C(=O)[O-] ZINC000601992517 1032584653 /nfs/dbraw/zinc/58/46/53/1032584653.db2.gz QWRLCCWXBNJFNG-NXEZZACHSA-N -1 0 349.374 3.715 20 0 EHADRM CC[C@H](NC(=O)[C@H](C)S[C@H](C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000601999756 1032586774 /nfs/dbraw/zinc/58/67/74/1032586774.db2.gz XEYVCLPLFAFGQL-CWSCBRNRSA-N -1 0 329.849 3.502 20 0 EHADRM CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@H](C)S[C@@H](C)C(=O)[O-] ZINC000601994103 1032586918 /nfs/dbraw/zinc/58/69/18/1032586918.db2.gz LSCBAIBCOXBCIJ-RYUDHWBXSA-N -1 0 343.876 3.672 20 0 EHADRM CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@H](C)S[C@H](C)C(=O)[O-] ZINC000601994102 1032587179 /nfs/dbraw/zinc/58/71/79/1032587179.db2.gz LSCBAIBCOXBCIJ-NWDGAFQWSA-N -1 0 343.876 3.672 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)N1CCCC[C@@H]1CCc1ccccc1)C(=O)[O-] ZINC000602002695 1032589994 /nfs/dbraw/zinc/58/99/94/1032589994.db2.gz FJNSCQATHPESBY-YQQAZPJKSA-N -1 0 349.496 3.595 20 0 EHADRM C[C@H](S[C@@H](C)C(=O)N1CC(C)(C)C[C@H]1c1ccccc1)C(=O)[O-] ZINC000602008017 1032591720 /nfs/dbraw/zinc/59/17/20/1032591720.db2.gz OYSDWJJLKCKZDU-YDHLFZDLSA-N -1 0 335.469 3.581 20 0 EHADRM O=C(c1cccc(Br)c1[O-])N1CCC[C@H]1C1CCCC1 ZINC000592848349 1032595157 /nfs/dbraw/zinc/59/51/57/1032595157.db2.gz IZSKDVBWWKFULD-AWEZNQCLSA-N -1 0 338.245 3.950 20 0 EHADRM Cc1ccc2c(c1)N(C(=O)c1cccc(Br)c1[O-])CC2 ZINC000592859817 1032596788 /nfs/dbraw/zinc/59/67/88/1032596788.db2.gz YRVOFTUNBRPOAP-UHFFFAOYSA-N -1 0 332.197 3.666 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])c1cnc(Oc2ccccc2)cn1 ZINC000091079737 1032605004 /nfs/dbraw/zinc/60/50/04/1032605004.db2.gz NNZDNLIJRGGPOD-UHFFFAOYSA-N -1 0 341.754 3.880 20 0 EHADRM CC[C@@H]1CCCN(C(=O)N=c2[n-]nc(-c3cc(F)ccc3C)s2)C1 ZINC000471340320 1017125343 /nfs/dbraw/zinc/12/53/43/1017125343.db2.gz KRRHETLJDZHXLS-GFCCVEGCSA-N -1 0 348.447 3.728 20 0 EHADRM Cc1ccc([C@H]2CCCCCN2C(=O)c2cc(C(=O)[O-])oc2C)o1 ZINC000659121915 1017162321 /nfs/dbraw/zinc/16/23/21/1017162321.db2.gz IEWYMQXHSJJOBS-CQSZACIVSA-N -1 0 331.368 3.945 20 0 EHADRM CC1(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)CCCCCC1 ZINC000183529964 1017341702 /nfs/dbraw/zinc/34/17/02/1017341702.db2.gz KRQNXZOJMZOFJS-UHFFFAOYSA-N -1 0 329.849 3.505 20 0 EHADRM C[C@@H]1c2ccc(F)cc2CCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000606449500 1032695317 /nfs/dbraw/zinc/69/53/17/1032695317.db2.gz XUMJTYMORIQTRG-SNVBAGLBSA-N -1 0 329.400 3.655 20 0 EHADRM O=C(NCCCc1ccccc1F)c1cccc(C(F)(F)F)c1[O-] ZINC001626719688 1017435720 /nfs/dbraw/zinc/43/57/20/1017435720.db2.gz JAVCBZPAGXLMLH-UHFFFAOYSA-N -1 0 341.304 3.913 20 0 EHADRM [O-]c1ccc(-c2nc(Cc3ccc4c(c3)CCO4)no2)cc1Cl ZINC000683580033 1017484480 /nfs/dbraw/zinc/48/44/80/1017484480.db2.gz JETPLFIPTGUWSL-UHFFFAOYSA-N -1 0 328.755 3.621 20 0 EHADRM C[C@@H](NC(=O)CC1(C(=O)[O-])CCCCC1)c1ccc2ncsc2c1 ZINC000547947201 1017513148 /nfs/dbraw/zinc/51/31/48/1017513148.db2.gz PJXHLUQQUMPRGU-GFCCVEGCSA-N -1 0 346.452 3.899 20 0 EHADRM C[C@@H](CSc1ccccc1)C(=O)N[C@H](CC(=O)[O-])C1CCCCC1 ZINC000537403722 1032704430 /nfs/dbraw/zinc/70/44/30/1032704430.db2.gz WUYHYGXQMSCQIL-WMLDXEAASA-N -1 0 349.496 3.955 20 0 EHADRM Fc1cccc(CN=c2[n-]nc(Cc3ccc4ccccc4c3)o2)c1 ZINC000537405397 1032708034 /nfs/dbraw/zinc/70/80/34/1032708034.db2.gz HRHWCRUKTMJERE-UHFFFAOYSA-N -1 0 333.366 3.987 20 0 EHADRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1cccc2[nH]ccc21 ZINC000547955588 1017587323 /nfs/dbraw/zinc/58/73/23/1017587323.db2.gz DQSXWSPEYFBWQM-UHFFFAOYSA-N -1 0 337.404 3.825 20 0 EHADRM CC(C)C[C@@H]1CCCN(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)C1 ZINC000655901015 1017881656 /nfs/dbraw/zinc/88/16/56/1017881656.db2.gz FLEHBNVKVBUXPE-FXUDXRNXSA-N -1 0 338.492 3.590 20 0 EHADRM Cc1cc(Nc2ncnc3c2cnn3-c2ccccc2)ccc1C(=O)[O-] ZINC001211649950 1017887977 /nfs/dbraw/zinc/88/79/77/1017887977.db2.gz ICSJNQQJUWXGLY-UHFFFAOYSA-N -1 0 345.362 3.566 20 0 EHADRM C[C@H]1CCC[C@H](OCc2cccc(NC(=O)C(C)(C)C(=O)[O-])c2)C1 ZINC000584530533 1017893905 /nfs/dbraw/zinc/89/39/05/1017893905.db2.gz XCZZAKQBHOKHBP-BBRMVZONSA-N -1 0 333.428 3.831 20 0 EHADRM C[C@@H](NC(=O)N(C)[C@H](C)c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655908953 1017906462 /nfs/dbraw/zinc/90/64/62/1017906462.db2.gz XJRHAYRYMZQAGM-LUYZLQTOSA-N -1 0 332.444 3.524 20 0 EHADRM CC(=O)c1cc(-c2ccc(OC(C)C)cc2)ccc1OCC(=O)[O-] ZINC000579972655 1017908486 /nfs/dbraw/zinc/90/84/86/1017908486.db2.gz FKDVFNKKMRYHDT-UHFFFAOYSA-N -1 0 328.364 3.807 20 0 EHADRM CC(C)c1cccc(C(C)C)c1NC(=O)CN(CC(=O)[O-])C1CCC1 ZINC000655935732 1017956638 /nfs/dbraw/zinc/95/66/38/1017956638.db2.gz OIFCNBBLMFVYTQ-UHFFFAOYSA-N -1 0 346.471 3.811 20 0 EHADRM COc1ccc(NC(=O)c2cccc(Cl)c2[O-])c2cccnc12 ZINC001125407768 1018366313 /nfs/dbraw/zinc/36/63/13/1018366313.db2.gz MMWBIGBTGVOURF-UHFFFAOYSA-N -1 0 328.755 3.855 20 0 EHADRM Cc1cc(C)nc(-c2nc(=O)c3snc(-c4ccccc4)c3[n-]2)c1 ZINC000548029299 1018385213 /nfs/dbraw/zinc/38/52/13/1018385213.db2.gz MQMDNWWITUIPOE-UHFFFAOYSA-N -1 0 334.404 3.725 20 0 EHADRM O=C([O-])CCn1cc(-c2cccc(OC3CCCCC3)c2)ccc1=O ZINC000584540654 1018522041 /nfs/dbraw/zinc/52/20/41/1018522041.db2.gz GXVANSKFMQZLDI-UHFFFAOYSA-N -1 0 341.407 3.702 20 0 EHADRM O=C([O-])CCC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCC1 ZINC000340581609 1018578783 /nfs/dbraw/zinc/57/87/83/1018578783.db2.gz SPJCDQDVBKPVBF-OAHLLOKOSA-N -1 0 329.318 3.528 20 0 EHADRM CC(C)n1ncc2c1nc(/C=C/c1ccc(O)c(F)c1)cc2C(=O)[O-] ZINC000580111400 1018656798 /nfs/dbraw/zinc/65/67/98/1018656798.db2.gz SRFOXMNKGCNHRC-HWKANZROSA-N -1 0 341.342 3.726 20 0 EHADRM CCC[C@](C)(NC(=O)N[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000580111818 1018657970 /nfs/dbraw/zinc/65/79/70/1018657970.db2.gz BEMACECNJJHBDF-BMIGLBTASA-N -1 0 346.349 3.709 20 0 EHADRM COc1cc(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)cc(C)n1 ZINC001210780320 1018673162 /nfs/dbraw/zinc/67/31/62/1018673162.db2.gz HQBZUIGYUPHWBZ-UHFFFAOYSA-N -1 0 344.392 3.542 20 0 EHADRM Cc1nc(COC(C)(C)C)oc1C(=O)Nc1cccc(Cl)c1[O-] ZINC000580199736 1018776186 /nfs/dbraw/zinc/77/61/86/1018776186.db2.gz YRXOIAAAXWYACL-UHFFFAOYSA-N -1 0 338.791 3.909 20 0 EHADRM CCCC[C@@H](NC(=O)N[C@H](C)c1cccc2ccccc21)C(=O)[O-] ZINC000580231961 1018837572 /nfs/dbraw/zinc/83/75/72/1018837572.db2.gz RLONNEMCHXYCMJ-CXAGYDPISA-N -1 0 328.412 3.843 20 0 EHADRM CC(C)c1ccc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000047417700 1018912791 /nfs/dbraw/zinc/91/27/91/1018912791.db2.gz DAOWUWZXASXNNM-UHFFFAOYSA-N -1 0 338.360 3.658 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1csc2ccccc12 ZINC000261754526 1018921816 /nfs/dbraw/zinc/92/18/16/1018921816.db2.gz PEZOKLRHFOAUMQ-DFBGVHRSSA-N -1 0 329.421 3.759 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)C1[C@H]2CCCCCC[C@H]12 ZINC000614387674 1018945706 /nfs/dbraw/zinc/94/57/06/1018945706.db2.gz RVILABVDBFHNRG-KBPBESRZSA-N -1 0 340.427 3.641 20 0 EHADRM Nc1cnc(N(c2cc(Cl)c([O-])c(Cl)c2)C2CCC2)nc1 ZINC001210928038 1019069007 /nfs/dbraw/zinc/06/90/07/1019069007.db2.gz YEKTXHUNBDVEBK-UHFFFAOYSA-N -1 0 325.199 3.762 20 0 EHADRM CSc1cc2c(cc1CNc1cc(C(=O)[O-])ccc1C)OCCO2 ZINC000325628121 1032807925 /nfs/dbraw/zinc/80/79/25/1032807925.db2.gz UAFQIJUZPQTGNR-UHFFFAOYSA-N -1 0 345.420 3.798 20 0 EHADRM O=c1nc(COCC(F)(F)F)[nH]c2sc(-c3ccccc3)cc21 ZINC000066606142 1019118905 /nfs/dbraw/zinc/11/89/05/1019118905.db2.gz BFGYUWUNWQEVSX-UHFFFAOYSA-N -1 0 340.326 3.731 20 0 EHADRM C[C@H](NCc1cccc(O)c1Cl)c1nc(Cc2ccccc2)no1 ZINC000513163715 1019254679 /nfs/dbraw/zinc/25/46/79/1019254679.db2.gz BNPYOMXRZKSADM-LBPRGKRZSA-N -1 0 343.814 3.870 20 0 EHADRM C[C@@H](NCc1cccc(O)c1Cl)c1nc(Cc2ccccc2)no1 ZINC000513163713 1019255741 /nfs/dbraw/zinc/25/57/41/1019255741.db2.gz BNPYOMXRZKSADM-GFCCVEGCSA-N -1 0 343.814 3.870 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)c(Cl)c1 ZINC000052798380 1019260287 /nfs/dbraw/zinc/26/02/87/1019260287.db2.gz SVZBYJWYUFDMSF-UHFFFAOYSA-N -1 0 347.827 3.839 20 0 EHADRM Cc1c(NCc2nc3cc(Cl)ccc3n2C)cccc1C(=O)[O-] ZINC000340683380 1019277891 /nfs/dbraw/zinc/27/78/91/1019277891.db2.gz VDCBLFJTYOHGNC-UHFFFAOYSA-N -1 0 329.787 3.845 20 0 EHADRM C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)N=c2[n-]nc(C3CC3)s2)C1 ZINC000580460901 1019404586 /nfs/dbraw/zinc/40/45/86/1019404586.db2.gz PFSQAGXDERUXKF-WFASDCNBSA-N -1 0 342.468 3.843 20 0 EHADRM Clc1scc(CN=c2[n-]ncn2-c2ccccc2)c1Cl ZINC000340702870 1019483631 /nfs/dbraw/zinc/48/36/31/1019483631.db2.gz XYEJUHOJXMACHF-UHFFFAOYSA-N -1 0 325.224 3.670 20 0 EHADRM CC(C)[C@H](NC(=O)[C@H]1CC[C@@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000262034077 1019519156 /nfs/dbraw/zinc/51/91/56/1019519156.db2.gz HAYPEBCEURZRSG-IHRRRGAJSA-N -1 0 343.345 3.630 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)c2cccc(C(=O)[O-])n2)c(F)c1 ZINC000656249481 1019612327 /nfs/dbraw/zinc/61/23/27/1019612327.db2.gz XEJCVHNDNGOFJU-UHFFFAOYSA-N -1 0 346.358 3.596 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)/C=C(/C)c1ccc(C(F)(F)F)cc1 ZINC000237117609 1019617776 /nfs/dbraw/zinc/61/77/76/1019617776.db2.gz LESMJLHEVKWSPM-HGPCXVNDSA-N -1 0 343.345 3.868 20 0 EHADRM C[C@H]1CN(C(=O)CSc2ccc(C(C)(C)C)cc2)CC[C@@H]1C(=O)[O-] ZINC000262925630 1019768418 /nfs/dbraw/zinc/76/84/18/1019768418.db2.gz JQMLEHWSNVIFEA-BBRMVZONSA-N -1 0 349.496 3.645 20 0 EHADRM C[C@@H]1CN(C(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)CC[C@@H]1C(=O)[O-] ZINC000262965166 1019776444 /nfs/dbraw/zinc/77/64/44/1019776444.db2.gz MINXBCQKRUEXFV-DOMZBBRYSA-N -1 0 342.439 3.648 20 0 EHADRM O=C([O-])c1ccc(CC(=O)N2CCCCC[C@H]2c2ccco2)cc1 ZINC000263314168 1019868481 /nfs/dbraw/zinc/86/84/81/1019868481.db2.gz HEGFZXGESLADBB-INIZCTEOSA-N -1 0 327.380 3.664 20 0 EHADRM Cc1nc(C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)ccc1C(=O)[O-] ZINC000263370318 1019886983 /nfs/dbraw/zinc/88/69/83/1019886983.db2.gz XUZBWXPTJKIWDZ-MRXNPFEDSA-N -1 0 344.798 3.719 20 0 EHADRM C[C@@H](NC(=O)c1ccc(CSc2ccccc2)cc1)[C@H](C)C(=O)[O-] ZINC000263459925 1019910033 /nfs/dbraw/zinc/91/00/33/1019910033.db2.gz PTYYLSKZLCRLLH-UONOGXRCSA-N -1 0 343.448 3.818 20 0 EHADRM CN(C[C@H]1CC=CCC1)C(=O)N=c1[n-]nc(/C=C\c2ccco2)s1 ZINC000345108754 1019954194 /nfs/dbraw/zinc/95/41/94/1019954194.db2.gz LTZJSUZZPCZUMG-XPSMFNQNSA-N -1 0 344.440 3.543 20 0 EHADRM CCSCc1cccc([N-]S(=O)(=O)c2cc(C)oc2C)c1 ZINC000345110528 1019955143 /nfs/dbraw/zinc/95/51/43/1019955143.db2.gz YGFQJONUWTVLGT-UHFFFAOYSA-N -1 0 325.455 3.950 20 0 EHADRM CCC(CC)(CC(=O)NCc1ccccc1OC1CCC1)C(=O)[O-] ZINC000345147789 1020010837 /nfs/dbraw/zinc/01/08/37/1020010837.db2.gz JJXIDGRBULZGIR-UHFFFAOYSA-N -1 0 333.428 3.515 20 0 EHADRM C[C@@H]1[C@@H](C(=O)N=c2nc(-c3ccsc3)[n-]s2)[C@H]1c1ccccc1 ZINC000430520914 1020060776 /nfs/dbraw/zinc/06/07/76/1020060776.db2.gz CGUBFVSJIUAKPZ-ZLKJLUDKSA-N -1 0 341.461 3.677 20 0 EHADRM C[C@@]1(O)CCCN(C(=O)c2cc(Oc3ccccc3)ccc2O)CC1 ZINC000280190227 1020154316 /nfs/dbraw/zinc/15/43/16/1020154316.db2.gz DAGWNTVFZDMTLA-HXUWFJFHSA-N -1 0 341.407 3.562 20 0 EHADRM Cc1cnc(F)c(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)c1 ZINC001211505617 1020281869 /nfs/dbraw/zinc/28/18/69/1020281869.db2.gz BNRLWVFUIYNUMW-UHFFFAOYSA-N -1 0 332.356 3.673 20 0 EHADRM C[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)N[C@@H](C)Cc1ccsc1 ZINC000581049664 1020382400 /nfs/dbraw/zinc/38/24/00/1020382400.db2.gz KQCDBPGXSZFAEL-UONOGXRCSA-N -1 0 346.452 3.537 20 0 EHADRM C[C@H](Cc1ccsc1)NC(=O)N(CC(=O)[O-])[C@@H](C)c1ccccc1 ZINC000581049663 1020382914 /nfs/dbraw/zinc/38/29/14/1020382914.db2.gz KQCDBPGXSZFAEL-KGLIPLIRSA-N -1 0 346.452 3.537 20 0 EHADRM O=C(CCC(=O)c1cccs1)Nc1cc(Cl)c([O-])cc1F ZINC000345618016 1020388433 /nfs/dbraw/zinc/38/84/33/1020388433.db2.gz GJZIIKSTHUQGDN-UHFFFAOYSA-N -1 0 327.764 3.848 20 0 EHADRM COc1c(Cl)cccc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000340859828 1020474383 /nfs/dbraw/zinc/47/43/83/1020474383.db2.gz RLIPKNRFCFTXNM-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)N([C@H](C)C(=O)[O-])C1CCC1 ZINC000581169171 1020501190 /nfs/dbraw/zinc/50/11/90/1020501190.db2.gz ZUJONUMTWAOZJG-QWHCGFSZSA-N -1 0 344.411 3.839 20 0 EHADRM CCC[C@H](C)C(=O)N[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000345792196 1020524183 /nfs/dbraw/zinc/52/41/83/1020524183.db2.gz FVPVANWKSCXROS-ZANVPECISA-N -1 0 332.227 3.542 20 0 EHADRM O=S(=O)([N-]c1nc2ccsc2s1)c1cccc2cccnc21 ZINC000345848869 1020553481 /nfs/dbraw/zinc/55/34/81/1020553481.db2.gz JUOQTPLMUMJVNG-UHFFFAOYSA-N -1 0 347.446 3.707 20 0 EHADRM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000581253568 1020588181 /nfs/dbraw/zinc/58/81/81/1020588181.db2.gz JTHGBIBHLWWWGJ-LEOMRAHMSA-N -1 0 349.446 3.790 20 0 EHADRM CCCN(C(=O)Nc1ccc2nc(C)sc2c1)[C@@H](CC)C(=O)[O-] ZINC000581288519 1020635389 /nfs/dbraw/zinc/63/53/89/1020635389.db2.gz ZXVVEUZSFTUXJL-ZDUSSCGKSA-N -1 0 335.429 3.712 20 0 EHADRM CC[C@H](CSc1ccccc1)N=c1[n-]nc(C2CCOCC2)s1 ZINC000581323217 1020691625 /nfs/dbraw/zinc/69/16/25/1020691625.db2.gz YCMREKJIZILMIE-CQSZACIVSA-N -1 0 349.525 3.837 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1cccc2c1ccn2C(F)F ZINC000656487575 1020710046 /nfs/dbraw/zinc/71/00/46/1020710046.db2.gz VNPJTVWPAFTEMC-QWRGUYRKSA-N -1 0 334.322 3.642 20 0 EHADRM CCCc1nc(=NC(=O)N2CCC[C@@H]2c2ccc(C)c(C)c2)s[n-]1 ZINC000581398270 1020800381 /nfs/dbraw/zinc/80/03/81/1020800381.db2.gz FTXIPBZJAOGZFA-OAHLLOKOSA-N -1 0 344.484 3.898 20 0 EHADRM O=C([O-])c1ccc(Nc2ncccc2Br)cc1Cl ZINC000706989914 1020898217 /nfs/dbraw/zinc/89/82/17/1020898217.db2.gz GCENRVVTQMNQPJ-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM O=C([O-])c1ccc(Nc2ncccc2Br)c(Cl)c1 ZINC000706991235 1020899579 /nfs/dbraw/zinc/89/95/79/1020899579.db2.gz JWRKSXSQWPEJKW-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM Cc1nc2cc(NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])ccc2o1 ZINC000581466659 1020937432 /nfs/dbraw/zinc/93/74/32/1020937432.db2.gz AIBALPPRWXUDCF-GFCCVEGCSA-N -1 0 333.388 3.537 20 0 EHADRM C[C@@H](C(=O)[O-])N(C(=O)NCc1cc(Cl)cc(Cl)c1)C1CCC1 ZINC000656585367 1020969175 /nfs/dbraw/zinc/96/91/75/1020969175.db2.gz QLOGHNHNNXROEN-VIFPVBQESA-N -1 0 345.226 3.531 20 0 EHADRM C[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)N[C@@H]1CCc2ccccc21 ZINC000656594795 1020989061 /nfs/dbraw/zinc/98/90/61/1020989061.db2.gz XWYUDXGTBPWAPF-KBXCAEBGSA-N -1 0 338.407 3.531 20 0 EHADRM O=C([O-])c1cccc(Nc2ncc(Cl)cc2Br)c1 ZINC000707026147 1020990471 /nfs/dbraw/zinc/99/04/71/1020990471.db2.gz BUDAVXVNQFMDHC-UHFFFAOYSA-N -1 0 327.565 3.939 20 0 EHADRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc3c(c2)C=CCCC3)C1 ZINC000656604516 1020992032 /nfs/dbraw/zinc/99/20/32/1020992032.db2.gz GPPGGYSJXZPFME-CJNGLKHVSA-N -1 0 328.412 3.611 20 0 EHADRM C[C@H]1CCN(c2nccc3cc(C(F)(F)F)ccc32)C[C@@H]1C(=O)[O-] ZINC000581488653 1021011015 /nfs/dbraw/zinc/01/10/15/1021011015.db2.gz SJIRKBGHHWPEHA-HZMBPMFUSA-N -1 0 338.329 3.801 20 0 EHADRM CO[C@H](CS(=O)(=O)Nc1ccc2[nH]ccc2c1)C1CCCCC1 ZINC000656616863 1021036348 /nfs/dbraw/zinc/03/63/48/1021036348.db2.gz UFELIMHOJUBOJI-QGZVFWFLSA-N -1 0 336.457 3.505 20 0 EHADRM CCC(CC)(CC)C(=O)[N-]S(=O)(=O)c1c(C)ccc2cccnc21 ZINC000785048038 1021047527 /nfs/dbraw/zinc/04/75/27/1021047527.db2.gz WMXQOCMIYQOKEG-UHFFFAOYSA-N -1 0 348.468 3.565 20 0 EHADRM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2cc(F)ccc2O)c1 ZINC000656624967 1021056265 /nfs/dbraw/zinc/05/62/65/1021056265.db2.gz YCCMFRVTWSSSAO-NSHDSACASA-N -1 0 339.388 3.509 20 0 EHADRM CCCN(C(=O)N[C@H]1CCSc2ccccc21)[C@@H](CC)C(=O)[O-] ZINC000581584924 1021112541 /nfs/dbraw/zinc/11/25/41/1021112541.db2.gz HWLNSUFYOQDPHF-KBPBESRZSA-N -1 0 336.457 3.508 20 0 EHADRM O=C([O-])C1(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCCC1 ZINC000581609907 1021146998 /nfs/dbraw/zinc/14/69/98/1021146998.db2.gz UASVAAMEEXCXIX-UHFFFAOYSA-N -1 0 333.718 3.525 20 0 EHADRM Cc1c(C(=O)[O-])sc2nc(C)nc(NC[C@H]3CCCSC3)c12 ZINC000581610546 1021149353 /nfs/dbraw/zinc/14/93/53/1021149353.db2.gz SEMVSTLUMIDREH-SNVBAGLBSA-N -1 0 337.470 3.561 20 0 EHADRM COc1nc(C(F)(F)F)ccc1-c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000581619144 1021155498 /nfs/dbraw/zinc/15/54/98/1021155498.db2.gz ZHEWFZXIWUTDES-VIFPVBQESA-N -1 0 341.285 3.628 20 0 EHADRM C[C@H](NC(=O)c1ccc([O-])c(Cl)c1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000439142127 1021177903 /nfs/dbraw/zinc/17/79/03/1021177903.db2.gz PYUSJBDMGZCCAZ-DINDLPBHSA-N -1 0 331.799 3.729 20 0 EHADRM C[C@H](NC(=O)c1ccc([O-])c(Cl)c1)[C@H]1Oc2ccccc2[C@H]1C ZINC000439142129 1021178066 /nfs/dbraw/zinc/17/80/66/1021178066.db2.gz PYUSJBDMGZCCAZ-RLFDGXBXSA-N -1 0 331.799 3.729 20 0 EHADRM C[C@H](CCNC(=O)c1nn(-c2ccccc2)cc1[O-])c1ccccc1 ZINC000439144610 1021178637 /nfs/dbraw/zinc/17/86/37/1021178637.db2.gz XJJYSXWQZJVCLH-OAHLLOKOSA-N -1 0 335.407 3.502 20 0 EHADRM CCn1nc(C(C)C)cc1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000436775726 1021204608 /nfs/dbraw/zinc/20/46/08/1021204608.db2.gz XTTRQFYPUAALTL-UHFFFAOYSA-N -1 0 325.771 3.777 20 0 EHADRM COC(=O)C[C@@H](NC(=O)c1ccc2ccccc2c1O)c1ccccc1 ZINC000436778776 1021207432 /nfs/dbraw/zinc/20/74/32/1021207432.db2.gz SVLHNLPUPZPJGB-GOSISDBHSA-N -1 0 349.386 3.580 20 0 EHADRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1cc(F)c(F)c(F)c1)CC2 ZINC000076106425 1021211651 /nfs/dbraw/zinc/21/16/51/1021211651.db2.gz ZEIXRCJOSAYMPG-WTKPLQERSA-N -1 0 336.265 3.916 20 0 EHADRM Cc1cc(C(=O)Nc2cc(Cl)c([O-])cc2F)nn1[C@H](C)C1CC1 ZINC000436765046 1021211516 /nfs/dbraw/zinc/21/15/16/1021211516.db2.gz AOILEGPJHFCUDJ-SECBINFHSA-N -1 0 337.782 3.913 20 0 EHADRM O=C(N[C@H]1CC=CCC1)c1cc(Br)cc(Cl)c1[O-] ZINC000436765746 1021214145 /nfs/dbraw/zinc/21/41/45/1021214145.db2.gz BNBBJLRNEGLBOZ-VIFPVBQESA-N -1 0 330.609 3.647 20 0 EHADRM CC(C)c1cccnc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2=O ZINC000516245856 1021225734 /nfs/dbraw/zinc/22/57/34/1021225734.db2.gz CGIMOFHVCPSQPY-UHFFFAOYSA-N -1 0 344.436 3.525 20 0 EHADRM O=C(Nc1nccn1Cc1ccccc1)c1cc(F)cc(Cl)c1[O-] ZINC000436784814 1021226439 /nfs/dbraw/zinc/22/64/39/1021226439.db2.gz YQKVMUOPNOJQOV-UHFFFAOYSA-N -1 0 345.761 3.682 20 0 EHADRM CCc1ccc(C)nc1[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000656737656 1021230900 /nfs/dbraw/zinc/23/09/00/1021230900.db2.gz LIEHJJFTJCTUQP-UHFFFAOYSA-N -1 0 330.862 3.777 20 0 EHADRM O=S(=O)([N-]c1cncc2c1CCCC2)c1c(F)cccc1Cl ZINC000656737027 1021232904 /nfs/dbraw/zinc/23/29/04/1021232904.db2.gz ZGWOOVFYTMZSDA-UHFFFAOYSA-N -1 0 340.807 3.554 20 0 EHADRM CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(F)c(F)c1[O-] ZINC001625988304 1032968030 /nfs/dbraw/zinc/96/80/30/1032968030.db2.gz VACNHSCQSPYOKU-LBPRGKRZSA-N -1 0 325.286 3.606 20 0 EHADRM CCc1csc(NC(=O)c2cc(F)cc(Br)c2[O-])n1 ZINC000436852611 1021295353 /nfs/dbraw/zinc/29/53/53/1021295353.db2.gz ANPJMOYPLATDJL-UHFFFAOYSA-N -1 0 345.193 3.565 20 0 EHADRM COCC1(C)CCN(C(=O)c2c([O-])cc(Cl)cc2Cl)CC1 ZINC000436813162 1021256883 /nfs/dbraw/zinc/25/68/83/1021256883.db2.gz HEWBQPHVKFZPQO-UHFFFAOYSA-N -1 0 332.227 3.588 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)CCSc2ccccn2)c1 ZINC000436833594 1021266681 /nfs/dbraw/zinc/26/66/81/1021266681.db2.gz KEGBMZLNSYBKPB-UHFFFAOYSA-N -1 0 330.409 3.501 20 0 EHADRM O=C(c1ccccc1O)N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000436841219 1021284935 /nfs/dbraw/zinc/28/49/35/1021284935.db2.gz SXWPPHLZCLABHL-UHFFFAOYSA-N -1 0 329.346 3.990 20 0 EHADRM CCc1ccc(C(=O)N2CCN(C3CC3)c3ccc(F)cc32)c(O)c1 ZINC000436839488 1021285099 /nfs/dbraw/zinc/28/50/99/1021285099.db2.gz PMEWMVMAYKNKGN-UHFFFAOYSA-N -1 0 340.398 3.723 20 0 EHADRM CC[C@@H]1CCCN(C(=O)c2cc(F)cc(Br)c2[O-])C1 ZINC000436850013 1021293308 /nfs/dbraw/zinc/29/33/08/1021293308.db2.gz XJOSVLWLZLALDC-SECBINFHSA-N -1 0 330.197 3.556 20 0 EHADRM CC1(C)CCCCN(C(=O)c2cc(F)cc(Br)c2[O-])C1 ZINC000436852643 1021295846 /nfs/dbraw/zinc/29/58/46/1021295846.db2.gz ANSJTJPFFTXOIC-UHFFFAOYSA-N -1 0 344.224 3.946 20 0 EHADRM CC(C)(C)c1nc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)cs1 ZINC000656767021 1021300680 /nfs/dbraw/zinc/30/06/80/1021300680.db2.gz UITFSJXFBDANMG-QLFBSQMISA-N -1 0 336.501 3.906 20 0 EHADRM O=C([O-])c1ccc2nc(/C=C\c3cnn(-c4ccccc4)c3)oc2c1 ZINC000439278129 1021314446 /nfs/dbraw/zinc/31/44/46/1021314446.db2.gz PCBVDLDXPXJLQA-TWGQIWQCSA-N -1 0 331.331 3.882 20 0 EHADRM CN(C(=O)c1cc(Br)cc(Cl)c1[O-])[C@@H]1CC1(C)C ZINC000436857538 1021320668 /nfs/dbraw/zinc/32/06/68/1021320668.db2.gz CTUBTJYRDBNSAG-SNVBAGLBSA-N -1 0 332.625 3.679 20 0 EHADRM O=C(Nc1cccc(O)c1)c1cc(Br)cc(Cl)c1[O-] ZINC000436880001 1021332006 /nfs/dbraw/zinc/33/20/06/1021332006.db2.gz HXVYDUNSFZJMDI-UHFFFAOYSA-N -1 0 342.576 3.766 20 0 EHADRM CCc1cc([N-]S(=O)(=O)c2ccccc2OC(F)F)ccc1F ZINC000507552817 1021340486 /nfs/dbraw/zinc/34/04/86/1021340486.db2.gz QJZMNQVUXADGON-UHFFFAOYSA-N -1 0 345.342 3.790 20 0 EHADRM Cc1ccc2c(CCNC(=O)c3ccc([O-])c(Cl)c3)c[nH]c2c1 ZINC000436902717 1021347524 /nfs/dbraw/zinc/34/75/24/1021347524.db2.gz GFFXHSFKTPLQJE-UHFFFAOYSA-N -1 0 328.799 3.808 20 0 EHADRM COC1CCC(CCNC(=O)c2cc(F)cc(Cl)c2[O-])CC1 ZINC000436908716 1021353623 /nfs/dbraw/zinc/35/36/23/1021353623.db2.gz JGGVVZAHRXKTRU-UHFFFAOYSA-N -1 0 329.799 3.510 20 0 EHADRM C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436913841 1021370009 /nfs/dbraw/zinc/37/00/09/1021370009.db2.gz HGRIBLMUSWWUSH-VXNVDRBHSA-N -1 0 339.716 3.988 20 0 EHADRM CC(C)Oc1cc(-c2noc(-c3ccc(Cl)cc3[O-])n2)ccn1 ZINC000436920483 1021379646 /nfs/dbraw/zinc/37/96/46/1021379646.db2.gz PMZLYPSZAWBASK-UHFFFAOYSA-N -1 0 331.759 3.945 20 0 EHADRM O=S(=O)([N-]c1cccc(COc2ccc(F)cc2)c1)c1ccco1 ZINC000507630553 1021409787 /nfs/dbraw/zinc/40/97/87/1021409787.db2.gz QSFCWGAHHJZGCA-UHFFFAOYSA-N -1 0 347.367 3.799 20 0 EHADRM O=C(Nc1nc2c(ccc(F)c2F)s1)c1cc(F)c([O-])c(F)c1 ZINC000436963410 1021410407 /nfs/dbraw/zinc/41/04/07/1021410407.db2.gz CMGWMITUVNQBSE-UHFFFAOYSA-N -1 0 342.273 3.811 20 0 EHADRM COc1ccc(N(CC(C)C)C(=O)c2cccc(OC)c2O)cc1 ZINC000436955887 1021421588 /nfs/dbraw/zinc/42/15/88/1021421588.db2.gz JRHYOHGPWRDZDC-UHFFFAOYSA-N -1 0 329.396 3.712 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2cc(CC(C)(C)C)nn2C)cc1 ZINC000518673060 1021423291 /nfs/dbraw/zinc/42/32/91/1021423291.db2.gz LPAANXVRKVSZBC-UHFFFAOYSA-N -1 0 349.500 3.762 20 0 EHADRM O=C(Nc1cc(F)cc(NCC(F)(F)F)c1)c1c([O-])cccc1F ZINC000436986732 1021441343 /nfs/dbraw/zinc/44/13/43/1021441343.db2.gz HSBFKUDENPDSSV-UHFFFAOYSA-N -1 0 346.255 3.897 20 0 EHADRM COc1cc(NC(=O)c2c([O-])cccc2F)cc(OC)c1C(C)C ZINC000436989933 1021444793 /nfs/dbraw/zinc/44/47/93/1021444793.db2.gz PPLWVPJVHFKPIV-UHFFFAOYSA-N -1 0 333.359 3.924 20 0 EHADRM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000436997551 1021455838 /nfs/dbraw/zinc/45/58/38/1021455838.db2.gz GJHMSCFQTUVCDK-ZANVPECISA-N -1 0 344.224 3.945 20 0 EHADRM O=C(NCCc1cc(F)c(F)c(F)c1)c1cc(F)c([O-])c(Cl)c1 ZINC000437004497 1021462864 /nfs/dbraw/zinc/46/28/64/1021462864.db2.gz QYXIOOIOSBTWAU-UHFFFAOYSA-N -1 0 347.695 3.575 20 0 EHADRM CCCn1ccc2ccc(NC(=O)N3CC[C@@H](C)C[C@@H]3C(=O)[O-])cc21 ZINC000516531907 1021518782 /nfs/dbraw/zinc/51/87/82/1021518782.db2.gz VSJZXQSAEJTVQD-CXAGYDPISA-N -1 0 343.427 3.768 20 0 EHADRM O=S(=O)([N-]c1cccc2cccnc21)c1cnc2ccsc2c1 ZINC000439572134 1021564609 /nfs/dbraw/zinc/56/46/09/1021564609.db2.gz MLRASIVSRXNIOD-UHFFFAOYSA-N -1 0 341.417 3.645 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)CC2(C)CCCCC2)c1 ZINC000516585486 1021573384 /nfs/dbraw/zinc/57/33/84/1021573384.db2.gz SRXRPFRJTGPOLK-INIZCTEOSA-N -1 0 333.428 3.688 20 0 EHADRM CC(C)=C[C@@H]1[C@H](C(=O)[N-]S(=O)(=O)c2ccc(F)c(F)c2)C1(C)C ZINC000048617364 1021586022 /nfs/dbraw/zinc/58/60/22/1021586022.db2.gz OWKCRIAUCRMKPZ-BXUZGUMPSA-N -1 0 343.395 3.848 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2ncc(Cl)cc2C)cc1C ZINC000516611356 1021594960 /nfs/dbraw/zinc/59/49/60/1021594960.db2.gz HQHDGMTVFZQKBJ-UHFFFAOYSA-N -1 0 340.832 3.551 20 0 EHADRM CCc1ccc(S(=O)(=O)C(C)=C([O-])c2cc(C)ccc2C)cc1 ZINC000518824598 1021606476 /nfs/dbraw/zinc/60/64/76/1021606476.db2.gz FUEDXZUTTVCUOX-HNNXBMFYSA-N -1 0 330.449 3.911 20 0 EHADRM CCCCCc1nnc([N-]S(=O)(=O)c2ccc(F)cc2C)s1 ZINC000437174350 1021611956 /nfs/dbraw/zinc/61/19/56/1021611956.db2.gz BXEPKWNSFBURGY-UHFFFAOYSA-N -1 0 343.449 3.519 20 0 EHADRM Cc1c(Cl)cc(F)c(NC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1F ZINC000519704213 1021618017 /nfs/dbraw/zinc/61/80/17/1021618017.db2.gz HBRAMHSPEHLMJD-VXNVDRBHSA-N -1 0 346.761 3.501 20 0 EHADRM CCSc1ccc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000439714293 1021657411 /nfs/dbraw/zinc/65/74/11/1021657411.db2.gz BXNDGTDQRMEUFU-HNNXBMFYSA-N -1 0 327.405 3.627 20 0 EHADRM Cc1ccc(NC(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cc1 ZINC000519802724 1021692693 /nfs/dbraw/zinc/69/26/93/1021692693.db2.gz GNQFOBSTGUNLJL-NVXWUHKLSA-N -1 0 330.428 3.882 20 0 EHADRM COCc1n[n-]c(=NCc2sc3ccc(Cl)cc3c2C)s1 ZINC000440658170 1021705099 /nfs/dbraw/zinc/70/50/99/1021705099.db2.gz YPNXHDOQQCWKCS-UHFFFAOYSA-N -1 0 339.873 3.895 20 0 EHADRM CC[C@H](C)n1ncc2c1nc(/C=C/c1c(C)n[nH]c1C)cc2C(=O)[O-] ZINC000519824365 1021717108 /nfs/dbraw/zinc/71/71/08/1021717108.db2.gz OIELBRNATOPKMR-FGEFZZPRSA-N -1 0 339.399 3.611 20 0 EHADRM CCSc1ccc(Cl)cc1NC(=O)NCCCCC(=O)[O-] ZINC000669498423 1033006608 /nfs/dbraw/zinc/00/66/08/1033006608.db2.gz UQEADQYGQRAYPL-UHFFFAOYSA-N -1 0 330.837 3.828 20 0 EHADRM CCCc1ccccc1[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000506705230 1021785392 /nfs/dbraw/zinc/78/53/92/1021785392.db2.gz ATYRFIDKZUUZCG-UHFFFAOYSA-N -1 0 347.333 3.996 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc3ccccc3n2)c(F)cc1F ZINC000439880902 1021793971 /nfs/dbraw/zinc/79/39/71/1021793971.db2.gz BACXAMACAKJABX-UHFFFAOYSA-N -1 0 334.347 3.622 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1csc2ccccc12)c1cccs1 ZINC000237994037 1033004120 /nfs/dbraw/zinc/00/41/20/1033004120.db2.gz NWLDFQYSVIDDMB-LBPRGKRZSA-N -1 0 331.418 3.909 20 0 EHADRM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1ccc(C2CCC2)cc1 ZINC000439911258 1021807197 /nfs/dbraw/zinc/80/71/97/1021807197.db2.gz DAUNPGUXVQRXSJ-IBGZPJMESA-N -1 0 335.403 3.778 20 0 EHADRM CCSc1ccc(C(=O)N(CC(=O)[O-])Cc2ccccc2)cc1 ZINC000439892716 1021807797 /nfs/dbraw/zinc/80/77/97/1021807797.db2.gz IGFUSMIQWCTXJB-UHFFFAOYSA-N -1 0 329.421 3.526 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)c2c(Cl)cccc2Cl)C1 ZINC000261595375 1021832966 /nfs/dbraw/zinc/83/29/66/1021832966.db2.gz GGMSTQLNNBRZNR-HNNXBMFYSA-N -1 0 330.211 3.566 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)NCCCCC(=O)[O-] ZINC000669499829 1033010008 /nfs/dbraw/zinc/01/00/08/1033010008.db2.gz RXDRQHATTIRHFX-UHFFFAOYSA-N -1 0 328.796 3.504 20 0 EHADRM C[C@]12CC3CC(C(=O)N4C[C@H]5CCC[C@@]5(C(=O)[O-])C4)(C1)C[C@@](C)(C3)C2 ZINC000341440250 1021895902 /nfs/dbraw/zinc/89/59/02/1021895902.db2.gz XVQLCQOMHLVCBH-ZVIWKSETSA-N -1 0 345.483 3.696 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2ccco2)c(OCc2ccccc2)c1 ZINC000437674993 1022045712 /nfs/dbraw/zinc/04/57/12/1022045712.db2.gz GBGWULKNFNWPMS-UHFFFAOYSA-N -1 0 343.404 3.968 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)c(F)cc1F ZINC000440272455 1022057112 /nfs/dbraw/zinc/05/71/12/1022057112.db2.gz CDKWPKDZGWWPFK-UHFFFAOYSA-N -1 0 349.305 3.675 20 0 EHADRM Cc1ccc(Cc2n[n-]c(=NC(=O)c3ccc(Cl)cc3)s2)cc1 ZINC000519400091 1022065958 /nfs/dbraw/zinc/06/59/58/1022065958.db2.gz UZXSIBNOPCHFBK-UHFFFAOYSA-N -1 0 343.839 3.765 20 0 EHADRM CCc1ccccc1[N-]S(=O)(=O)c1cccc2c(C)ccnc21 ZINC000548282902 1022068290 /nfs/dbraw/zinc/06/82/90/1022068290.db2.gz XPJGRTIXUVONNV-UHFFFAOYSA-N -1 0 326.421 3.906 20 0 EHADRM CN(C(=O)NCc1ccc2ccccc2c1)[C@H](C(=O)[O-])c1ccccc1 ZINC000520320581 1022125952 /nfs/dbraw/zinc/12/59/52/1022125952.db2.gz MJUAINHMCFTTOY-IBGZPJMESA-N -1 0 348.402 3.807 20 0 EHADRM CC(C)c1n[n-]c(=N[C@H](C)c2ccc(OCc3cccnc3)cc2)o1 ZINC000520336995 1022147788 /nfs/dbraw/zinc/14/77/88/1022147788.db2.gz WMJUDEKUGDQLFL-CQSZACIVSA-N -1 0 338.411 3.762 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)N(C)Cc2ccc(C)cc2)s1 ZINC000510486188 1022213432 /nfs/dbraw/zinc/21/34/32/1022213432.db2.gz WJWILGRCRKGUCC-UHFFFAOYSA-N -1 0 332.473 3.836 20 0 EHADRM C[C@@H](NC(=O)N=c1[n-]nc(C(C)(C)C)s1)[C@H](C)c1ccccc1 ZINC000473625086 1022269669 /nfs/dbraw/zinc/26/96/69/1022269669.db2.gz BTDUBXQVBARVEJ-NWDGAFQWSA-N -1 0 332.473 3.571 20 0 EHADRM Cc1cc(NC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)ccc1C(F)(F)F ZINC000574324022 1033042801 /nfs/dbraw/zinc/04/28/01/1033042801.db2.gz QGHGEJQKXKJPQN-SKDRFNHKSA-N -1 0 344.333 3.588 20 0 EHADRM C[C@H](NC(=O)N=c1[n-]nc(-c2ccco2)s1)[C@@H](C)c1ccccc1 ZINC000473628297 1022279250 /nfs/dbraw/zinc/27/92/50/1022279250.db2.gz JGUDEEZWLVGWLL-NEPJUHHUSA-N -1 0 342.424 3.534 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccnn2[C@H](C)C2CC2)cc1CC ZINC000550052942 1022282336 /nfs/dbraw/zinc/28/23/36/1022282336.db2.gz NYBZRJYEKFYIIM-CYBMUJFWSA-N -1 0 347.484 3.780 20 0 EHADRM Cc1cccc2sc(C(=O)NC[C@@H](C(=O)[O-])C(C)C)c(Cl)c21 ZINC000655570957 1022314986 /nfs/dbraw/zinc/31/49/86/1022314986.db2.gz KLJCOSIXMXDIPD-SNVBAGLBSA-N -1 0 339.844 3.950 20 0 EHADRM Cc1nc(CNCc2nc(-c3ccccc3)cs2)ccc1C(=O)[O-] ZINC000426657626 1022325392 /nfs/dbraw/zinc/32/53/92/1022325392.db2.gz QIYXTEAALRTOCQ-UHFFFAOYSA-N -1 0 339.420 3.502 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)c1 ZINC000085235257 1022410212 /nfs/dbraw/zinc/41/02/12/1022410212.db2.gz INOTURCHANNFDC-UHFFFAOYSA-N -1 0 332.356 3.590 20 0 EHADRM Cc1csc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1Cl ZINC000261597767 1022411868 /nfs/dbraw/zinc/41/18/68/1022411868.db2.gz OMQZRMCLJPUKBR-AXFHLTTASA-N -1 0 327.833 3.568 20 0 EHADRM CCC(CC)(CC(=O)Nc1cc(Br)ccc1F)C(=O)[O-] ZINC000036751754 1022417144 /nfs/dbraw/zinc/41/71/44/1022417144.db2.gz LQUDEVVVTDOGNV-UHFFFAOYSA-N -1 0 346.196 3.808 20 0 EHADRM CO[C@@H](C)c1nc(=Nc2cccc(N3CCCCCC3)c2)s[n-]1 ZINC000328804404 1022490243 /nfs/dbraw/zinc/49/02/43/1022490243.db2.gz MWEFPFJTGQHLRR-ZDUSSCGKSA-N -1 0 332.473 3.791 20 0 EHADRM c1sc2ccccc2c1CCN=c1[n-]nc(-c2ccccn2)s1 ZINC000546189007 1022533333 /nfs/dbraw/zinc/53/33/33/1022533333.db2.gz SQBVMNPCPDEOCQ-UHFFFAOYSA-N -1 0 338.461 3.891 20 0 EHADRM CCCCOc1ccccc1CNCc1ccc(C(=O)[O-])c(CC)n1 ZINC000426663827 1022549529 /nfs/dbraw/zinc/54/95/29/1022549529.db2.gz BUAFYGQKVPJYGG-UHFFFAOYSA-N -1 0 342.439 3.811 20 0 EHADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC[C@@H](C)CC3)n2)cc1 ZINC000303847124 1022569497 /nfs/dbraw/zinc/56/94/97/1022569497.db2.gz JYIUKXUKPOLUIV-OAHLLOKOSA-N -1 0 341.455 3.964 20 0 EHADRM CC(F)(F)c1ccccc1NC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000669506903 1033068707 /nfs/dbraw/zinc/06/87/07/1033068707.db2.gz UWWSZTCRQXOWDX-NSHDSACASA-N -1 0 326.343 3.517 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2n[nH]c3cccc(F)c32)sc1Cl ZINC000473767707 1022695060 /nfs/dbraw/zinc/69/50/60/1022695060.db2.gz SDTGGJYJNQKOAQ-UHFFFAOYSA-N -1 0 345.808 3.526 20 0 EHADRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(Cl)cc2C)c1C ZINC000331082557 1022737522 /nfs/dbraw/zinc/73/75/22/1022737522.db2.gz AYYFXDDGYNCHHD-NSHDSACASA-N -1 0 341.864 3.925 20 0 EHADRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c1C ZINC000331105084 1022745180 /nfs/dbraw/zinc/74/51/80/1022745180.db2.gz QJOIVKJRBDDSKC-GFCCVEGCSA-N -1 0 339.436 3.719 20 0 EHADRM CC[C@@H](C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl)[NH+](C)C ZINC000331356534 1022800825 /nfs/dbraw/zinc/80/08/25/1022800825.db2.gz SBCGFDUSJVUYLH-QMMMGPOBSA-N -1 0 325.623 3.631 20 0 EHADRM CC[C@H]1C[C@H](C)CN1C(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000473819441 1022861619 /nfs/dbraw/zinc/86/16/19/1022861619.db2.gz NZBCQWLXXFAYBB-ONGXEEELSA-N -1 0 336.486 3.649 20 0 EHADRM C[C@@H]1CCC[C@@H](CNC(=O)N=c2[n-]nc(-c3ccsc3)s2)C1 ZINC000510670351 1022867963 /nfs/dbraw/zinc/86/79/63/1022867963.db2.gz WUSAIKMUNNLELJ-GHMZBOCLSA-N -1 0 336.486 3.636 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]C(=O)CC/C=C\c2ccccc2)cc1 ZINC000588448797 1022893653 /nfs/dbraw/zinc/89/36/53/1022893653.db2.gz WOZGWVUQWHZKME-POHAHGRESA-N -1 0 343.448 3.548 20 0 EHADRM Cc1ccc(NC(=O)c2cccc(Br)c2[O-])c2n[nH]cc21 ZINC000518049897 1022946180 /nfs/dbraw/zinc/94/61/80/1022946180.db2.gz QPQHSWACXKEDJP-UHFFFAOYSA-N -1 0 346.184 3.592 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2OC(C)C)cc1 ZINC000518042762 1022952891 /nfs/dbraw/zinc/95/28/91/1022952891.db2.gz QZVFVTINIDAFRN-UHFFFAOYSA-N -1 0 349.452 3.846 20 0 EHADRM CC(C)(C)CCC1(O)CC(C(=O)Nc2ccc(F)c(F)c2[O-])C1 ZINC001625991826 1033089580 /nfs/dbraw/zinc/08/95/80/1033089580.db2.gz IGGCAKFQPAEESQ-UHFFFAOYSA-N -1 0 327.371 3.576 20 0 EHADRM O=C([O-])C[C@H](NCc1csc(-c2ccccn2)n1)c1ccsc1 ZINC000426686097 1022961041 /nfs/dbraw/zinc/96/10/41/1022961041.db2.gz LLFUBKWPOLYWMB-AWEZNQCLSA-N -1 0 345.449 3.572 20 0 EHADRM O=C([O-])c1coc(CNCc2cc(Cl)ccc2OC(F)F)c1 ZINC000426687107 1022962240 /nfs/dbraw/zinc/96/22/40/1022962240.db2.gz IVFRHYBMLGIRHM-UHFFFAOYSA-N -1 0 331.702 3.522 20 0 EHADRM O=C([O-])c1coc(CNCc2ccc(Cl)cc2Br)c1 ZINC000426713205 1022981758 /nfs/dbraw/zinc/98/17/58/1022981758.db2.gz CLJOGJROMYCICY-UHFFFAOYSA-N -1 0 344.592 3.684 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccsc2)ccc1Br ZINC000089750353 1023009968 /nfs/dbraw/zinc/00/99/68/1023009968.db2.gz JVEMBNJYGLBLRL-UHFFFAOYSA-N -1 0 332.244 3.620 20 0 EHADRM CC(C)Cc1ncc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)s1 ZINC000426744057 1023012142 /nfs/dbraw/zinc/01/21/42/1023012142.db2.gz BVURIJWTHDNLCE-OAHLLOKOSA-N -1 0 338.860 3.911 20 0 EHADRM O=C([O-])[C@H](NCc1ccc(Br)o1)c1cccc(Cl)c1 ZINC000426745872 1023013890 /nfs/dbraw/zinc/01/38/90/1023013890.db2.gz IGNFFJVVYJLEMJ-GFCCVEGCSA-N -1 0 344.592 3.611 20 0 EHADRM C=CCOc1ccccc1C(=O)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000048531182 1023016060 /nfs/dbraw/zinc/01/60/60/1023016060.db2.gz DXPKKVYRVCGPHF-OWBHPGMISA-N -1 0 343.404 3.557 20 0 EHADRM O=C([O-])[C@@H](NCc1ccc(F)cc1Cl)c1c(F)cccc1F ZINC000426746837 1023018681 /nfs/dbraw/zinc/01/86/81/1023018681.db2.gz KYBXSLZDACKKEA-AWEZNQCLSA-N -1 0 329.705 3.673 20 0 EHADRM COc1ccc2oc(CN[C@H](C(=O)[O-])c3c(F)cccc3F)cc2c1 ZINC000426748603 1023019356 /nfs/dbraw/zinc/01/93/56/1023019356.db2.gz YTBKNYPLLWYDJC-KRWDZBQOSA-N -1 0 347.317 3.635 20 0 EHADRM O=C([O-])[C@@H](NCc1csc(-c2cccs2)n1)c1cccc(F)c1 ZINC000426762082 1023031568 /nfs/dbraw/zinc/03/15/68/1023031568.db2.gz HDIRGWWGLDVSKW-AWEZNQCLSA-N -1 0 348.424 3.926 20 0 EHADRM Cc1cc(C)c(CNC(=O)CCc2ccccc2C(=O)[O-])c(C)c1 ZINC000262098998 1023045993 /nfs/dbraw/zinc/04/59/93/1023045993.db2.gz DFDWQFVIGVISBK-UHFFFAOYSA-N -1 0 325.408 3.559 20 0 EHADRM CCC[C@H](C(=O)[O-])[S@](=O)[C@@H](C)c1cccc(Br)c1 ZINC000562978527 1023049717 /nfs/dbraw/zinc/04/97/17/1023049717.db2.gz ULJHDGCSHVQDLY-PCULOGHHSA-N -1 0 333.247 3.512 20 0 EHADRM O=C([O-])[C@H](NCc1csc(-c2ccccc2)n1)c1cccc(F)c1 ZINC000426812116 1023061778 /nfs/dbraw/zinc/06/17/78/1023061778.db2.gz PPAQBHBZHNEILC-MRXNPFEDSA-N -1 0 342.395 3.865 20 0 EHADRM O=C([O-])[C@H](NCc1sccc1Br)c1cccc(F)c1 ZINC000426820649 1023067573 /nfs/dbraw/zinc/06/75/73/1023067573.db2.gz MFSRJXHHTNBOLI-GFCCVEGCSA-N -1 0 344.205 3.565 20 0 EHADRM COc1cc(N=c2nc([C@H](C)OC)[n-]s2)cc(OC)c1C(C)C ZINC000509568324 1023068742 /nfs/dbraw/zinc/06/87/42/1023068742.db2.gz JMWSVSDTEHGEEY-JTQLQIEISA-N -1 0 337.445 3.552 20 0 EHADRM COc1ccc(F)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000506994458 1023069622 /nfs/dbraw/zinc/06/96/22/1023069622.db2.gz ISARNVDTVSHKKH-UHFFFAOYSA-N -1 0 335.400 3.514 20 0 EHADRM CCCOc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000507018889 1023079166 /nfs/dbraw/zinc/07/91/66/1023079166.db2.gz BIVFJYVOGDFSKL-UHFFFAOYSA-N -1 0 327.352 3.554 20 0 EHADRM Cc1ccc(CN[C@H](C(=O)[O-])c2ccsc2)c(Br)c1 ZINC000426832456 1023081317 /nfs/dbraw/zinc/08/13/17/1023081317.db2.gz JLPITWNJQRGITF-ZDUSSCGKSA-N -1 0 340.242 3.735 20 0 EHADRM CC(C)C[C@H](C)Oc1cc(CN=c2nc(C3CC3)[n-]s2)ccn1 ZINC000426880691 1023097511 /nfs/dbraw/zinc/09/75/11/1023097511.db2.gz AUISXMGHZZNGAQ-LBPRGKRZSA-N -1 0 332.473 3.658 20 0 EHADRM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000507086841 1023126060 /nfs/dbraw/zinc/12/60/60/1023126060.db2.gz OSCSTCUOADFPBC-MVISFBTESA-N -1 0 336.602 3.716 20 0 EHADRM CC[C@H]1CCCCN1C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000665070169 1023182210 /nfs/dbraw/zinc/18/22/10/1023182210.db2.gz IYWDACMKXQDXSK-ZDUSSCGKSA-N -1 0 333.819 3.636 20 0 EHADRM CC(C)(C)Oc1ccc(C(=O)N(CC(=O)[O-])Cc2ccccc2)cc1 ZINC000346023009 1023212422 /nfs/dbraw/zinc/21/24/22/1023212422.db2.gz GCHPJBRTIKTUIJ-UHFFFAOYSA-N -1 0 341.407 3.591 20 0 EHADRM CC(=O)Nc1ccc(O)c(C(=O)N[C@@H](C)c2cccc(C3CC3)c2)c1 ZINC000518315193 1023212703 /nfs/dbraw/zinc/21/27/03/1023212703.db2.gz ZPYGTAJXPRTDOA-LBPRGKRZSA-N -1 0 338.407 3.719 20 0 EHADRM O=C([O-])[C@H]1CC[C@H]1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000507280097 1023229079 /nfs/dbraw/zinc/22/90/79/1023229079.db2.gz NRZHMDLMZPVPNM-KGLIPLIRSA-N -1 0 346.770 3.577 20 0 EHADRM CCc1ccccc1-n1cc([O-])c(C(=O)N(CC)C[C@H](C)CC)n1 ZINC000439088557 1023264389 /nfs/dbraw/zinc/26/43/89/1023264389.db2.gz UWDLEXMWZJENPO-CQSZACIVSA-N -1 0 329.444 3.649 20 0 EHADRM COc1ccc(CNCc2cc(C(=O)[O-])co2)cc1OCCC(C)C ZINC000276993697 1023676515 /nfs/dbraw/zinc/67/65/15/1023676515.db2.gz KHHUEQAKLWYMQS-UHFFFAOYSA-N -1 0 347.411 3.701 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc(NC2CC2)nc1 ZINC000545202963 1033154730 /nfs/dbraw/zinc/15/47/30/1033154730.db2.gz AHFGCONGEMLRTJ-UHFFFAOYSA-N -1 0 338.194 3.921 20 0 EHADRM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C(F)F)o2)cc1 ZINC000634787183 1023732345 /nfs/dbraw/zinc/73/23/45/1023732345.db2.gz NKKDGQGBSUBXIQ-UHFFFAOYSA-N -1 0 331.340 3.805 20 0 EHADRM COc1ccc(CO)cc1Nc1ccc(Br)cc1[S-] ZINC001211530812 1023780819 /nfs/dbraw/zinc/78/08/19/1023780819.db2.gz HFYPKXOBIDKPMI-UHFFFAOYSA-N -1 0 340.242 3.982 20 0 EHADRM O=C([N-]O[C@H]1CCCCO1)C(F)(F)c1cccc(Cl)c1Cl ZINC000843781860 1023954495 /nfs/dbraw/zinc/95/44/95/1023954495.db2.gz KAPGHXKXZVDRBM-JTQLQIEISA-N -1 0 340.153 3.660 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)/C=C\c1ccc(Cl)cc1 ZINC000320341315 1023956638 /nfs/dbraw/zinc/95/66/38/1023956638.db2.gz OIKNJXCFQPCKLS-GHDYSPFCSA-N -1 0 333.815 3.598 20 0 EHADRM CC(C)Oc1ccccc1NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000326890931 1023958434 /nfs/dbraw/zinc/95/84/34/1023958434.db2.gz FVDNXEUNOHGKKI-HXUWFJFHSA-N -1 0 341.407 3.845 20 0 EHADRM COc1cc(OC)cc(S(=O)(=O)[N-]c2cccc3ccsc32)c1 ZINC000443461568 1023960984 /nfs/dbraw/zinc/96/09/84/1023960984.db2.gz DOFFAFDDOAZEDH-UHFFFAOYSA-N -1 0 349.433 3.719 20 0 EHADRM CC(C)Oc1ccc(N(C)C(=O)c2cc(F)c(F)c([O-])c2F)cc1 ZINC000192263109 1023962092 /nfs/dbraw/zinc/96/20/92/1023962092.db2.gz HSTOERZFTAEDLU-UHFFFAOYSA-N -1 0 339.313 3.873 20 0 EHADRM O=C([N-]c1c(F)cc(Br)cc1F)c1ncc(F)cc1F ZINC000192357582 1023995552 /nfs/dbraw/zinc/99/55/52/1023995552.db2.gz HXRPNNSEKKTNEB-UHFFFAOYSA-N -1 0 349.081 3.653 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)c2occc2-c2ccc(F)cc2)cc1 ZINC000192415260 1024002173 /nfs/dbraw/zinc/00/21/73/1024002173.db2.gz XTTQVHFIZRDMMC-UHFFFAOYSA-N -1 0 339.322 3.714 20 0 EHADRM Cc1cccc(C)c1/C=C1\CCn2c1nc1cc(C(=O)[O-])ccc1c2=O ZINC000535905492 1024048338 /nfs/dbraw/zinc/04/83/38/1024048338.db2.gz LKSIHFXZVBEARP-GXDHUFHOSA-N -1 0 346.386 3.656 20 0 EHADRM COc1cc(F)ccc1NC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1 ZINC000237185780 1024059245 /nfs/dbraw/zinc/05/92/45/1024059245.db2.gz RJUDEEJQXJUNPH-SFHVURJKSA-N -1 0 337.391 3.834 20 0 EHADRM O=C([O-])c1cccc(-c2cc(F)ccc2OC[C@@H]2CCCCO2)n1 ZINC000657203934 1024084161 /nfs/dbraw/zinc/08/41/61/1024084161.db2.gz MSDAVZOKZQKIKP-ZDUSSCGKSA-N -1 0 331.343 3.534 20 0 EHADRM C[C@H](C(=O)[O-])c1ccc(-c2ccc(NC(=O)C(C)(C)C)nc2)cc1 ZINC000657205066 1024084981 /nfs/dbraw/zinc/08/49/81/1024084981.db2.gz QVKKWMRTERFNLH-LBPRGKRZSA-N -1 0 326.396 3.921 20 0 EHADRM Cc1ccc(-c2cc(F)ccc2OC[C@H]2CCCCO2)nc1C(=O)[O-] ZINC000657204872 1024087622 /nfs/dbraw/zinc/08/76/22/1024087622.db2.gz WAZPBSMRCSTGMS-CQSZACIVSA-N -1 0 345.370 3.842 20 0 EHADRM CCc1ccc(CC(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1 ZINC000191397109 1024090097 /nfs/dbraw/zinc/09/00/97/1024090097.db2.gz MCOPOSPWRVWOPB-AWEZNQCLSA-N -1 0 325.408 3.693 20 0 EHADRM Cc1noc([N-]S(=O)(=O)c2csc3ccc(Cl)cc32)c1C ZINC000151387417 1024091911 /nfs/dbraw/zinc/09/19/11/1024091911.db2.gz RLCWNFMIBAAOQZ-UHFFFAOYSA-N -1 0 342.829 3.960 20 0 EHADRM COc1cccc([C@@H](C)C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC000191423613 1024100789 /nfs/dbraw/zinc/10/07/89/1024100789.db2.gz RYNHVBIDFONMQJ-ZIAGYGMSSA-N -1 0 341.407 3.701 20 0 EHADRM O=S(=O)(NC1(c2ccccc2)CC1)c1cccc(Cl)c1Cl ZINC000522621239 1024122527 /nfs/dbraw/zinc/12/25/27/1024122527.db2.gz QJOUTQJGSMNGBQ-UHFFFAOYSA-N -1 0 342.247 3.961 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)N[C@H]1CCc2ccccc2C1)C1CCCCC1 ZINC000522619867 1024122916 /nfs/dbraw/zinc/12/29/16/1024122916.db2.gz FGRZXRPZPZWBHN-RXVVDRJESA-N -1 0 343.467 3.721 20 0 EHADRM COCCCOc1ccc(-c2cccc(O[C@H](C)C(=O)[O-])c2)cc1 ZINC000657207150 1024129061 /nfs/dbraw/zinc/12/90/61/1024129061.db2.gz JAECZTNIWQMRKO-CQSZACIVSA-N -1 0 330.380 3.621 20 0 EHADRM CC[C@]1(C)CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CCO1 ZINC000443570379 1024156470 /nfs/dbraw/zinc/15/64/70/1024156470.db2.gz CSUPKDRZZGQRAO-GOSISDBHSA-N -1 0 333.815 3.840 20 0 EHADRM Cc1cc(=NC(=O)C[C@H](C)c2ccc(C(F)(F)F)cc2)[n-]nc1C ZINC000522303422 1024179819 /nfs/dbraw/zinc/17/98/19/1024179819.db2.gz BGELKBKDYLEZLF-NSHDSACASA-N -1 0 337.345 3.666 20 0 EHADRM CN(CC(=O)[O-])C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000611556789 1024220399 /nfs/dbraw/zinc/22/03/99/1024220399.db2.gz MKGMKKJGVAYFJZ-ZDUSSCGKSA-N -1 0 346.349 3.519 20 0 EHADRM CCCCN(CC(F)(F)F)C(=O)CCc1ccccc1C(=O)[O-] ZINC000262204947 1024253917 /nfs/dbraw/zinc/25/39/17/1024253917.db2.gz SPCWFOBKQKEWRD-UHFFFAOYSA-N -1 0 331.334 3.508 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cc1ccc2ccccc2c1 ZINC000327079165 1024267898 /nfs/dbraw/zinc/26/78/98/1024267898.db2.gz FXWZGZQCCZWCAI-OTWHNJEPSA-N -1 0 337.419 3.627 20 0 EHADRM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cc1ccc2ccccc2c1 ZINC000327079166 1024268856 /nfs/dbraw/zinc/26/88/56/1024268856.db2.gz FXWZGZQCCZWCAI-QRVBRYPASA-N -1 0 337.419 3.627 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)N2CCCC[C@H](C)C2)s[n-]1 ZINC000330070074 1024307131 /nfs/dbraw/zinc/30/71/31/1024307131.db2.gz HUZROBFMEZHUEK-JTQLQIEISA-N -1 0 336.486 3.651 20 0 EHADRM O=C(Nc1ccc(-c2ccc[nH]2)cc1)c1cc(=O)c2ccccc2[n-]1 ZINC000342173218 1024309522 /nfs/dbraw/zinc/30/95/22/1024309522.db2.gz FPEHDSRLCHPTNM-UHFFFAOYSA-N -1 0 329.359 3.776 20 0 EHADRM C[C@H]1CCCC[C@@H]1OCCNC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184267372 1024394568 /nfs/dbraw/zinc/39/45/68/1024394568.db2.gz FONZRXWSILFBFW-HZMBPMFUSA-N -1 0 329.799 3.510 20 0 EHADRM COc1ccc(C[C@@H](C)C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000237218855 1024402267 /nfs/dbraw/zinc/40/22/67/1024402267.db2.gz FSHJKDAYXPNKBY-WEKMIXOTSA-N -1 0 339.391 3.610 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000033463642 1024411725 /nfs/dbraw/zinc/41/17/25/1024411725.db2.gz ALZWKJOSPQKSTA-SUMWQHHRSA-N -1 0 327.380 3.708 20 0 EHADRM O=C([O-])[C@H](CC1CC1)NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000262125877 1024413255 /nfs/dbraw/zinc/41/32/55/1024413255.db2.gz HKPXXFAYCAQXIC-ZDUSSCGKSA-N -1 0 333.771 3.583 20 0 EHADRM COc1cc(C(=O)N[C@@H](C)c2ccccc2SC)cc(OC)c1O ZINC000281679478 1024426793 /nfs/dbraw/zinc/42/67/93/1024426793.db2.gz FCNHLPLFDNVJNO-NSHDSACASA-N -1 0 347.436 3.622 20 0 EHADRM CC[C@@H](C)CN(C)C(=O)c1cccc(C(=O)N(C)C[C@@H](C)CC)c1[O-] ZINC000280923633 1024438684 /nfs/dbraw/zinc/43/86/84/1024438684.db2.gz JTGWIGLRWNMVSH-GASCZTMLSA-N -1 0 348.487 3.628 20 0 EHADRM CCC[C@@H]1CCCN(C(=O)N=c2[n-]nc(-c3ccccc3)s2)C1 ZINC000466972199 1024445665 /nfs/dbraw/zinc/44/56/65/1024445665.db2.gz ZJDOZICJUYPECM-CYBMUJFWSA-N -1 0 330.457 3.671 20 0 EHADRM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3sccc3C)cc2)n1 ZINC000607613426 1033216172 /nfs/dbraw/zinc/21/61/72/1033216172.db2.gz PLOLECOGVJPQGR-UHFFFAOYSA-N -1 0 347.465 3.660 20 0 EHADRM O=C([O-])CC[C@H](CC1CCCCC1)NC(=O)[C@H]1CCC[C@@H](F)C1 ZINC000425253461 1024511978 /nfs/dbraw/zinc/51/19/78/1024511978.db2.gz KBWBTFGZQZZFIQ-ARFHVFGLSA-N -1 0 327.440 3.835 20 0 EHADRM CC(=O)c1ccc(F)cc1NC(=O)CC1(CC(=O)[O-])CCCCC1 ZINC000342239615 1024523686 /nfs/dbraw/zinc/52/36/86/1024523686.db2.gz FTLUIBGDJLQCER-UHFFFAOYSA-N -1 0 335.375 3.782 20 0 EHADRM Cc1oc(C(C)C)nc1C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000909523564 1024626300 /nfs/dbraw/zinc/62/63/00/1024626300.db2.gz ONKOLVDVWOITKG-LLVKDONJSA-N -1 0 330.384 3.622 20 0 EHADRM CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1cccc(CC)c1 ZINC000435190152 1024688097 /nfs/dbraw/zinc/68/80/97/1024688097.db2.gz XYNCQWDIVRMDEF-UHFFFAOYSA-N -1 0 335.473 3.745 20 0 EHADRM CCOC(=O)c1cnc(/C=C/c2cccc3cnccc23)c(C(=O)[O-])c1 ZINC000611909378 1033233921 /nfs/dbraw/zinc/23/39/21/1033233921.db2.gz VJZWANOSPSCDRK-VOTSOKGWSA-N -1 0 348.358 3.675 20 0 EHADRM CCOc1ccc(C(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)cc1OC ZINC000327345452 1024734428 /nfs/dbraw/zinc/73/44/28/1024734428.db2.gz KIFWZNGONUFJTK-UHFFFAOYSA-N -1 0 343.379 3.661 20 0 EHADRM CC(C)(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1ccsc1 ZINC000507878336 1024747286 /nfs/dbraw/zinc/74/72/86/1024747286.db2.gz OAKMZYGTAKXTHH-UHFFFAOYSA-N -1 0 329.418 3.865 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)[N-]OCc2ccccn2)c1 ZINC000909527491 1024749502 /nfs/dbraw/zinc/74/95/02/1024749502.db2.gz YJBFXUBZLFMWNG-OAHLLOKOSA-N -1 0 328.412 3.529 20 0 EHADRM Cc1noc(C)c1CN(C)C(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001354459716 1024766369 /nfs/dbraw/zinc/76/63/69/1024766369.db2.gz IVYCUZGGFQKPRY-UHFFFAOYSA-N -1 0 329.183 3.576 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2ccc(C)cc2Cl)cnn1CC(C)C ZINC000346489237 1024797795 /nfs/dbraw/zinc/79/77/95/1024797795.db2.gz JYWQCEVGYULBSE-UHFFFAOYSA-N -1 0 341.864 3.610 20 0 EHADRM CC(C)CCn1ccc([N-]S(=O)(=O)c2csc3ccccc32)n1 ZINC000507981833 1024807129 /nfs/dbraw/zinc/80/71/29/1024807129.db2.gz ZTHNDXVMAHCDRY-UHFFFAOYSA-N -1 0 349.481 3.945 20 0 EHADRM C[C@H](C(=O)[O-])N(C(=O)N[C@@H](C)c1cc2ccccc2o1)C1CCC1 ZINC000684714091 1024896301 /nfs/dbraw/zinc/89/63/01/1024896301.db2.gz JIQPWNXIEVPMHO-NWDGAFQWSA-N -1 0 330.384 3.531 20 0 EHADRM COc1cc(Nc2cc(C)cc(C(=O)[O-])c2)cnc1Br ZINC001211537382 1024900709 /nfs/dbraw/zinc/90/07/09/1024900709.db2.gz HGKXSLGOCWBQSX-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM Cc1c(COc2ccccc2)cccc1NC(=O)[C@@H](C(=O)[O-])C(C)C ZINC000514942454 1024918659 /nfs/dbraw/zinc/91/86/59/1024918659.db2.gz ZZSHNTIJWXQLCQ-SFHVURJKSA-N -1 0 341.407 3.869 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)[nH]n2)c(F)c1 ZINC000474416704 1024919183 /nfs/dbraw/zinc/91/91/83/1024919183.db2.gz VNGATNFVCZOPDO-UHFFFAOYSA-N -1 0 337.420 3.706 20 0 EHADRM CC(C)OCCCC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000281362402 1024968688 /nfs/dbraw/zinc/96/86/88/1024968688.db2.gz PUKIBBBYKQMXSR-UHFFFAOYSA-N -1 0 339.457 3.538 20 0 EHADRM O=S(=O)([N-]c1cc(C2CCCCC2)[nH]n1)c1cc(F)cc(F)c1 ZINC000474436354 1024970309 /nfs/dbraw/zinc/97/03/09/1024970309.db2.gz WJCSLDFGEBPINB-UHFFFAOYSA-N -1 0 341.383 3.536 20 0 EHADRM COc1ccc(O[C@H](C)C(=O)Nc2cc(F)cc(Cl)c2[O-])cc1 ZINC000474445374 1024980319 /nfs/dbraw/zinc/98/03/19/1024980319.db2.gz LSKNWRPDXPMQSA-SECBINFHSA-N -1 0 339.750 3.599 20 0 EHADRM C[C@@H](Oc1cccc(F)c1)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474461709 1025004627 /nfs/dbraw/zinc/00/46/27/1025004627.db2.gz WQTMHEQUWSFYFU-MRVPVSSYSA-N -1 0 327.714 3.730 20 0 EHADRM C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)N=c2[n-]nc(-c3ccsc3)s2)C1 ZINC000474479476 1025017158 /nfs/dbraw/zinc/01/71/58/1025017158.db2.gz RCVSAFKDUUQQAO-GMTAPVOTSA-N -1 0 336.486 3.587 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000909549429 1025021435 /nfs/dbraw/zinc/02/14/35/1025021435.db2.gz QSKOPFNRLJHTNG-DLBZAZTESA-N -1 0 340.379 3.703 20 0 EHADRM CCCCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1OC ZINC000013166595 1025058836 /nfs/dbraw/zinc/05/88/36/1025058836.db2.gz LZLBYTRWTQZEDW-UHFFFAOYSA-N -1 0 343.379 3.825 20 0 EHADRM CC[C@@](C)(OC)C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000281487933 1025078597 /nfs/dbraw/zinc/07/85/97/1025078597.db2.gz NTAPRGPRJSYQIN-GFCCVEGCSA-N -1 0 336.613 3.562 20 0 EHADRM Cc1nc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)oc1C ZINC000435713556 1025102502 /nfs/dbraw/zinc/10/25/02/1025102502.db2.gz FCEMGKHNZDQGOZ-UHFFFAOYSA-N -1 0 339.175 3.538 20 0 EHADRM CO[C@H](C)c1nc(=NC(=O)C=CCc2ccc(C(C)C)cc2)s[n-]1 ZINC000511061235 1025126328 /nfs/dbraw/zinc/12/63/28/1025126328.db2.gz CIDCYJYSGZTXFC-URWSZGRFSA-N -1 0 345.468 3.833 20 0 EHADRM Cc1ccc(-n2cccn2)cc1NC(=O)c1ccc([O-])c(Cl)c1 ZINC000191837438 1025156614 /nfs/dbraw/zinc/15/66/14/1025156614.db2.gz XPANVINPEILHDH-UHFFFAOYSA-N -1 0 327.771 3.792 20 0 EHADRM CCCN(CC(=O)[O-])C(=O)Nc1ccc2c(ccn2CC(C)C)c1 ZINC000684747200 1025236035 /nfs/dbraw/zinc/23/60/35/1025236035.db2.gz PTNRFDBLXUQPQS-UHFFFAOYSA-N -1 0 331.416 3.626 20 0 EHADRM Cc1oc(C(C)C)nc1C(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC000909478055 1025249014 /nfs/dbraw/zinc/24/90/14/1025249014.db2.gz LWEWVLFMCRVRHJ-UHFFFAOYSA-N -1 0 344.411 3.614 20 0 EHADRM C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1c([O-])cc(F)cc1F ZINC000127450402 1025264026 /nfs/dbraw/zinc/26/40/26/1025264026.db2.gz TWCFGEADVVOZIF-MRVPVSSYSA-N -1 0 327.277 3.782 20 0 EHADRM Cc1ccc(SCCNC(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC000262159656 1025301480 /nfs/dbraw/zinc/30/14/80/1025301480.db2.gz KJCPYYDBRBKUSX-UHFFFAOYSA-N -1 0 343.448 3.534 20 0 EHADRM CCC(CC)(NC(=O)Nc1ccc(COC2CCCC2)cc1)C(=O)[O-] ZINC000515553330 1025347176 /nfs/dbraw/zinc/34/71/76/1025347176.db2.gz QKPNHSRGUYNDQI-UHFFFAOYSA-N -1 0 348.443 3.911 20 0 EHADRM CN=c1[n-]nc(SCCCOc2cccc(C(F)(F)F)c2)s1 ZINC000521384248 1025361289 /nfs/dbraw/zinc/36/12/89/1025361289.db2.gz RZLPNHVCUZHTQT-UHFFFAOYSA-N -1 0 349.403 3.582 20 0 EHADRM O=C([O-])[C@H]1CCCN1C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000515586324 1025378493 /nfs/dbraw/zinc/37/84/93/1025378493.db2.gz SZXJAVHAFYTPJI-MRXNPFEDSA-N -1 0 344.342 3.699 20 0 EHADRM CC(C)[C@@H](NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000013468916 1025397545 /nfs/dbraw/zinc/39/75/45/1025397545.db2.gz HKOXDNJZGCZYFF-TZIWHRDSSA-N -1 0 339.435 3.933 20 0 EHADRM Cn1ccc2cccc(NC(=O)N=c3[n-]nc(-c4ccccc4)s3)c21 ZINC000472179141 1025400574 /nfs/dbraw/zinc/40/05/74/1025400574.db2.gz SAODFNQHWQZLED-UHFFFAOYSA-N -1 0 349.419 3.763 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000515614596 1025410038 /nfs/dbraw/zinc/41/00/38/1025410038.db2.gz HLPSFXPIPBGPJD-UHFFFAOYSA-N -1 0 329.780 3.679 20 0 EHADRM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)N=c2[n-]nc(/C=C/c3ccco3)s2)C1 ZINC000474744313 1025411649 /nfs/dbraw/zinc/41/16/49/1025411649.db2.gz GXTXWTZRICNVTO-LQVFNYONSA-N -1 0 346.456 3.622 20 0 EHADRM CCCCC1CCC(C(=O)N=c2nc([C@@H](C)OC)[n-]s2)CC1 ZINC000511082347 1025414147 /nfs/dbraw/zinc/41/41/47/1025414147.db2.gz ZVKYEVRFOARTOV-PNESKVBLSA-N -1 0 325.478 3.603 20 0 EHADRM Cc1n[nH]cc1-c1n[n-]c(=NCc2ccc(C(C)(C)C)cc2)s1 ZINC000436155944 1025421886 /nfs/dbraw/zinc/42/18/86/1025421886.db2.gz ODBZOOUOTOJTBR-UHFFFAOYSA-N -1 0 327.457 3.568 20 0 EHADRM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cn1 ZINC000515697781 1025502329 /nfs/dbraw/zinc/50/23/29/1025502329.db2.gz XKUHIDJILHNOPW-UHFFFAOYSA-N -1 0 342.420 3.823 20 0 EHADRM Cc1cc([N-]C(=O)c2nc([C@@H](c3ccccc3C)C(C)C)no2)no1 ZINC000685394902 1033287337 /nfs/dbraw/zinc/28/73/37/1033287337.db2.gz IQGFUZYFQCEGDR-OAHLLOKOSA-N -1 0 340.383 3.715 20 0 EHADRM O=S(=O)([N-]c1ccc2ccoc2c1)c1ccccc1-c1ccno1 ZINC000442833001 1025526049 /nfs/dbraw/zinc/52/60/49/1025526049.db2.gz GXVULRVHBVOTEY-UHFFFAOYSA-N -1 0 340.360 3.889 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc1C ZINC000442839938 1025526604 /nfs/dbraw/zinc/52/66/04/1025526604.db2.gz VIUINIHRASYRLV-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM Cn1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2-c2ccccc2)n1 ZINC000442836393 1025526625 /nfs/dbraw/zinc/52/66/25/1025526625.db2.gz HLPDEBMKJAUIFT-UHFFFAOYSA-N -1 0 347.827 3.541 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2scnc2C(C)C)cc(C)c1F ZINC000451103838 1025567413 /nfs/dbraw/zinc/56/74/13/1025567413.db2.gz OTVZCFWBHGSYCY-UHFFFAOYSA-N -1 0 328.434 3.823 20 0 EHADRM CO[C@H](C)c1nc(=NC(=O)CC2CCC(C(C)(C)C)CC2)s[n-]1 ZINC000511093262 1025648876 /nfs/dbraw/zinc/64/88/76/1025648876.db2.gz VRKRMJLCEXJMPW-PNESKVBLSA-N -1 0 339.505 3.849 20 0 EHADRM Cc1c(CNC(=O)CC(C)(C)C(=O)[O-])sc2ccc(Cl)cc12 ZINC000443032450 1025672173 /nfs/dbraw/zinc/67/21/73/1025672173.db2.gz JTRSXNIKXMUITF-UHFFFAOYSA-N -1 0 339.844 3.980 20 0 EHADRM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccccc1C(C)C ZINC000530339142 1025678041 /nfs/dbraw/zinc/67/80/41/1025678041.db2.gz JIQALGHGNLDVSD-UHFFFAOYSA-N -1 0 347.436 3.871 20 0 EHADRM Cc1noc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)c1C ZINC000034559156 1025683554 /nfs/dbraw/zinc/68/35/54/1025683554.db2.gz ZMOBNKATUIOWNY-UHFFFAOYSA-N -1 0 342.376 3.992 20 0 EHADRM Clc1ccc(Cl)c(CN=c2[n-]nc([C@@H]3CCCO3)s2)c1 ZINC000630962063 1025700199 /nfs/dbraw/zinc/70/01/99/1025700199.db2.gz FQIQCHOOMAKUBO-NSHDSACASA-N -1 0 330.240 3.730 20 0 EHADRM COc1cc(C(=O)Nc2cc(F)cc(Cl)c2[O-])cc(Cl)c1O ZINC000443113656 1025730545 /nfs/dbraw/zinc/73/05/45/1025730545.db2.gz UOZQXCRTDSRHND-UHFFFAOYSA-N -1 0 346.141 3.805 20 0 EHADRM CCCC[C@H](NC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000347258039 1025749863 /nfs/dbraw/zinc/74/98/63/1025749863.db2.gz JCPIGXFVFZYCFQ-IHRRRGAJSA-N -1 0 344.238 3.857 20 0 EHADRM CCCC[C@@H](NC(=O)[C@H](C)c1ccc2cc(OC)ccc2c1)C(=O)[O-] ZINC000347258902 1025751434 /nfs/dbraw/zinc/75/14/34/1025751434.db2.gz JMOQBFSZAOIAFW-FZKQIMNGSA-N -1 0 343.423 3.712 20 0 EHADRM O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc(Cl)cc1[O-] ZINC000436509236 1025803216 /nfs/dbraw/zinc/80/32/16/1025803216.db2.gz AAYKSTCWMLQIEA-HNNXBMFYSA-N -1 0 347.798 3.856 20 0 EHADRM O=C(NCCc1cccc2[nH]ccc21)c1cc(F)c([O-])c(Cl)c1 ZINC000436515917 1025814032 /nfs/dbraw/zinc/81/40/32/1025814032.db2.gz XANMMRCIWSYMNU-UHFFFAOYSA-N -1 0 332.762 3.639 20 0 EHADRM O=C(Nc1cccc(Cl)c1[O-])[C@@H]1CCN(c2ccccc2F)C1 ZINC000521945803 1025815862 /nfs/dbraw/zinc/81/58/62/1025815862.db2.gz KLCNTZZHAYZXCB-LLVKDONJSA-N -1 0 334.778 3.650 20 0 EHADRM O=C(NCc1ccccc1C(F)(F)F)c1cc(F)c([O-])c(F)c1 ZINC000436529199 1025834733 /nfs/dbraw/zinc/83/47/33/1025834733.db2.gz KDIWPWCAPMDWSI-UHFFFAOYSA-N -1 0 331.240 3.619 20 0 EHADRM O=C(Nc1ccc(-c2cncnc2)cc1)c1ccc(Cl)cc1[O-] ZINC000436536623 1025845210 /nfs/dbraw/zinc/84/52/10/1025845210.db2.gz NIBFPUSTXZQGRS-UHFFFAOYSA-N -1 0 325.755 3.755 20 0 EHADRM O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)c1ccc(F)cc1[O-] ZINC000436544144 1025879539 /nfs/dbraw/zinc/87/95/39/1025879539.db2.gz BMLNNHRRFKPUFT-UHFFFAOYSA-N -1 0 340.232 3.944 20 0 EHADRM COCCN(C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-])C1CC1 ZINC000436558959 1025883284 /nfs/dbraw/zinc/88/32/84/1025883284.db2.gz XNZCCYYMXBOVRC-UHFFFAOYSA-N -1 0 345.826 3.964 20 0 EHADRM CCC[C@@H](CC1CCCC1)C(=O)N=c1nc([C@H](C)OC)[n-]s1 ZINC000511100202 1025925330 /nfs/dbraw/zinc/92/53/30/1025925330.db2.gz IVYALSWNXKPORW-AAEUAGOBSA-N -1 0 325.478 3.603 20 0 EHADRM CC(C)(C)c1n[n-]c(=NC(=O)N[C@@H]2CCC[C@H]2c2ccccc2)s1 ZINC000522087806 1025945310 /nfs/dbraw/zinc/94/53/10/1025945310.db2.gz VUYIGFQHGBCZGM-UONOGXRCSA-N -1 0 344.484 3.715 20 0 EHADRM C[C@@H]1C[C@@H](C)CN(C(=O)c2cc(Cl)cc(Br)c2[O-])C1 ZINC000436625301 1025950918 /nfs/dbraw/zinc/95/09/18/1025950918.db2.gz DHWVQEPQAHSLJD-RKDXNWHRSA-N -1 0 346.652 3.926 20 0 EHADRM Cc1ccc(OCCN(C)C(=O)c2ccc(C(C)C)cc2O)cc1 ZINC000436634833 1025965443 /nfs/dbraw/zinc/96/54/43/1025965443.db2.gz MAWSTYMHNQMFFX-UHFFFAOYSA-N -1 0 327.424 3.975 20 0 EHADRM O=C(c1ccc([O-])c(Cl)c1)N(Cc1ccccc1)CC(F)F ZINC000436638888 1025966195 /nfs/dbraw/zinc/96/61/95/1025966195.db2.gz MGIVFLZDWLFCQX-UHFFFAOYSA-N -1 0 325.742 3.953 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2n[nH]c3ccc(Cl)cc32)c1 ZINC000436650485 1025977818 /nfs/dbraw/zinc/97/78/18/1025977818.db2.gz RLHWYNOXYXPGEK-UHFFFAOYSA-N -1 0 343.770 3.767 20 0 EHADRM O=C(N[C@@H](c1c[nH]c2ccccc21)C(F)(F)F)c1ccccc1O ZINC000436655769 1025983036 /nfs/dbraw/zinc/98/30/36/1025983036.db2.gz NHPOKFNSAYEVRV-HNNXBMFYSA-N -1 0 334.297 3.907 20 0 EHADRM CCOc1cc(-c2noc([C@](C)(OC)C3CC3)n2)cc(Cl)c1O ZINC000436655696 1025984716 /nfs/dbraw/zinc/98/47/16/1025984716.db2.gz JYFQWPHZAICDJK-MRXNPFEDSA-N -1 0 338.791 3.766 20 0 EHADRM CCc1cccnc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000443408011 1025988543 /nfs/dbraw/zinc/98/85/43/1025988543.db2.gz JOCWCBVEPNIQJO-UHFFFAOYSA-N -1 0 337.253 3.813 20 0 EHADRM CCc1ccc(CCC(=O)N=c2nc(-c3ccccc3)[n-]s2)cc1 ZINC000614689032 1025990617 /nfs/dbraw/zinc/99/06/17/1025990617.db2.gz UCCPZANSAXPGAW-UHFFFAOYSA-N -1 0 337.448 3.761 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2[nH]c3ccccc3c2OC)c1 ZINC000436644330 1025994198 /nfs/dbraw/zinc/99/41/98/1025994198.db2.gz IVRBALYGRHYXIM-UHFFFAOYSA-N -1 0 338.363 3.727 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2nc(C3CC3)n3ccccc23)c1 ZINC000436645468 1025994453 /nfs/dbraw/zinc/99/44/53/1025994453.db2.gz MDQMHXUOKVVKOZ-UHFFFAOYSA-N -1 0 349.390 3.762 20 0 EHADRM CC(C)[C@H](NC(=O)c1cc(Cl)c2ccccc2c1[O-])c1ncon1 ZINC000436646474 1025995760 /nfs/dbraw/zinc/99/57/60/1025995760.db2.gz GVVDVXAMGYVZFL-AWEZNQCLSA-N -1 0 345.786 3.709 20 0 EHADRM O=C(CCc1cc2ccccc2o1)N=c1nc(-c2ccccc2)[n-]s1 ZINC000614689128 1026003749 /nfs/dbraw/zinc/00/37/49/1026003749.db2.gz KXEOFOPCXPATFA-UHFFFAOYSA-N -1 0 349.415 3.945 20 0 EHADRM Fc1ccccc1Cc1n[n-]c(=NCc2ccc(C(F)F)cc2)o1 ZINC000530527873 1026007868 /nfs/dbraw/zinc/00/78/68/1026007868.db2.gz NADARKLTLCDIBE-UHFFFAOYSA-N -1 0 333.313 3.771 20 0 EHADRM CC(C)c1cccnc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000443423558 1026020563 /nfs/dbraw/zinc/02/05/63/1026020563.db2.gz RJEUUJGBEQRMTA-UHFFFAOYSA-N -1 0 328.796 3.798 20 0 EHADRM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NC[C@H](C(=O)[O-])C2CCC2)o1 ZINC000665324520 1026026382 /nfs/dbraw/zinc/02/63/82/1026026382.db2.gz UCAKOZOIMNYLJW-RCBQFDQVSA-N -1 0 348.443 3.572 20 0 EHADRM O=C(Nc1ccc(OCCCO)cc1)c1ccc2ccccc2c1O ZINC000436694975 1026052207 /nfs/dbraw/zinc/05/22/07/1026052207.db2.gz CAJGFRDEEAKRFR-UHFFFAOYSA-N -1 0 337.375 3.559 20 0 EHADRM C[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1ccc2n[nH]cc2c1 ZINC000436698889 1026058524 /nfs/dbraw/zinc/05/85/24/1026058524.db2.gz OAVJWDRXDZCSDD-QMMMGPOBSA-N -1 0 333.750 3.552 20 0 EHADRM CC[C@@H](C(=O)[N-]OCc1ccccn1)c1cccc(C(F)(F)F)c1 ZINC000909535359 1026065656 /nfs/dbraw/zinc/06/56/56/1026065656.db2.gz MHTVMZZTRODQGW-OAHLLOKOSA-N -1 0 338.329 3.842 20 0 EHADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC=C(c2ccncc2)C1 ZINC000436702748 1026065842 /nfs/dbraw/zinc/06/58/42/1026065842.db2.gz DXVIQDIRGFCTCQ-UHFFFAOYSA-N -1 0 332.762 3.509 20 0 EHADRM CCOc1ccc(CN(C)C(=O)CC2(CC(=O)[O-])CCCCC2)cc1 ZINC000326858439 1026089045 /nfs/dbraw/zinc/08/90/45/1026089045.db2.gz SMHRASFDPOQRLD-UHFFFAOYSA-N -1 0 347.455 3.859 20 0 EHADRM C[C@@H](NC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-])c1cn[nH]c1 ZINC000436722426 1026097281 /nfs/dbraw/zinc/09/72/81/1026097281.db2.gz NHMQPGHHGRKKPP-LLVKDONJSA-N -1 0 341.798 3.927 20 0 EHADRM COc1ccccc1-c1n[n-]c(=NCc2ccc(SC)s2)o1 ZINC000516221561 1026132466 /nfs/dbraw/zinc/13/24/66/1026132466.db2.gz KSNMRDGYGQJZAR-UHFFFAOYSA-N -1 0 333.438 3.563 20 0 EHADRM CO[C@H](C)c1nc(=NC(=O)c2sc3ccc(C)cc3c2C)s[n-]1 ZINC000511120341 1026226456 /nfs/dbraw/zinc/22/64/56/1026226456.db2.gz LCDHSDDWLHLJRK-SNVBAGLBSA-N -1 0 347.465 3.751 20 0 EHADRM O=C([O-])CN(Cc1ccccc1)C(=O)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000347358067 1026248009 /nfs/dbraw/zinc/24/80/09/1026248009.db2.gz FKCFIMUFUGAGKW-CVEARBPZSA-N -1 0 343.810 3.557 20 0 EHADRM COc1cc(CNc2ccc(F)c(C(=O)[O-])c2)ccc1OC(C)C ZINC000324809767 1026327128 /nfs/dbraw/zinc/32/71/28/1026327128.db2.gz COIYYJGCSSSKRJ-UHFFFAOYSA-N -1 0 333.359 3.932 20 0 EHADRM O=c1[n-]c(CN[C@H](c2ccccc2)c2cc(Cl)ccc2Cl)n[nH]1 ZINC000342578631 1026338367 /nfs/dbraw/zinc/33/83/67/1026338367.db2.gz XQVAIPRNNLQHBF-OAHLLOKOSA-N -1 0 349.221 3.696 20 0 EHADRM CCC(C)(C)N(C)C(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccc(OC)cc1 ZINC000684895785 1026450740 /nfs/dbraw/zinc/45/07/40/1026450740.db2.gz IMOOIWGOOYJZST-HOTGVXAUSA-N -1 0 348.443 3.526 20 0 EHADRM CCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000531009661 1026480570 /nfs/dbraw/zinc/48/05/70/1026480570.db2.gz WWRWEBUVJDJDTE-UHFFFAOYSA-N -1 0 331.393 3.941 20 0 EHADRM Cc1c(C(=O)Nc2cc(C3(C)CCCC3)on2)oc2c1C(=O)CCC2 ZINC000582526813 1026498911 /nfs/dbraw/zinc/49/89/11/1026498911.db2.gz JAQVFSTZUXIAAK-UHFFFAOYSA-N -1 0 342.395 3.601 20 0 EHADRM CC(C)Cc1nc(=NCc2cccc(OCC(F)(F)F)c2)s[n-]1 ZINC000475350911 1026502580 /nfs/dbraw/zinc/50/25/80/1026502580.db2.gz FLKHKTIKORHDPY-UHFFFAOYSA-N -1 0 345.390 3.712 20 0 EHADRM CCN1C(=O)CCc2cc(NC(=O)c3cccc(Cl)c3[O-])ccc21 ZINC000760109022 1026528602 /nfs/dbraw/zinc/52/86/02/1026528602.db2.gz MLUOLPFHPMPWQG-UHFFFAOYSA-N -1 0 344.798 3.597 20 0 EHADRM COc1ccc([C@H](C)NC(=O)CC2(CC(=O)[O-])CCCCC2)cc1 ZINC000325308795 1026620205 /nfs/dbraw/zinc/62/02/05/1026620205.db2.gz YCOMWUPCDAEOBI-AWEZNQCLSA-N -1 0 333.428 3.688 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2cccc(-c3ccoc3)c2)c2ccccc21 ZINC000192948327 1026650009 /nfs/dbraw/zinc/65/00/09/1026650009.db2.gz QSGXFKCVRYVGAP-KRWDZBQOSA-N -1 0 333.343 3.775 20 0 EHADRM CCSc1ccccc1CC(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000909580963 1026670756 /nfs/dbraw/zinc/67/07/56/1026670756.db2.gz OIBBIIGUMDSOEV-HNNXBMFYSA-N -1 0 341.432 3.556 20 0 EHADRM CC(C)N(Cc1ccco1)C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000531342133 1026829334 /nfs/dbraw/zinc/82/93/34/1026829334.db2.gz WYKLHEMDWLRWFU-UHFFFAOYSA-N -1 0 342.424 3.663 20 0 EHADRM C[C@@H](NC(=O)CC1(C(=O)[O-])CCCCCC1)c1ccc2n[nH]cc2c1 ZINC000560419140 1026908138 /nfs/dbraw/zinc/90/81/38/1026908138.db2.gz RJLPDSSOTKFUGL-CYBMUJFWSA-N -1 0 343.427 3.555 20 0 EHADRM CCCOCCOc1cccc(-c2ccc3c(c2)[C@H](C(=O)[O-])CO3)c1 ZINC000563435843 1026942379 /nfs/dbraw/zinc/94/23/79/1026942379.db2.gz CTHFVECJJWUDKW-GOSISDBHSA-N -1 0 342.391 3.720 20 0 EHADRM CC[C@@H]1C[C@H](C)CN1C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000531464253 1026944045 /nfs/dbraw/zinc/94/40/45/1026944045.db2.gz WBQCDSNNUQYWOB-GOEBONIOSA-N -1 0 341.455 3.962 20 0 EHADRM CCCn1nc(C)c(-c2ccc(-n3cc(C(=O)[O-])c(C)n3)cc2)c1C ZINC000563436836 1026946564 /nfs/dbraw/zinc/94/65/64/1026946564.db2.gz RACVFGJMIOHTPD-UHFFFAOYSA-N -1 0 338.411 3.769 20 0 EHADRM COc1ccccc1-c1n[n-]c(=NCc2cccc(C(F)(F)F)c2)o1 ZINC000428345701 1026950955 /nfs/dbraw/zinc/95/09/55/1026950955.db2.gz MBPGXXQEUNFWJH-UHFFFAOYSA-N -1 0 349.312 3.798 20 0 EHADRM CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000342784269 1027033466 /nfs/dbraw/zinc/03/34/66/1027033466.db2.gz SPAJPAZDMVIQPT-SNVBAGLBSA-N -1 0 327.837 3.617 20 0 EHADRM CCO[C@@H]1CCN(C(=O)c2ccc(Cl)c(Cl)c2[O-])C[C@@H]1C ZINC000452826721 1027045377 /nfs/dbraw/zinc/04/53/77/1027045377.db2.gz LLQQERQIEVZXSH-JOYOIKCWSA-N -1 0 332.227 3.586 20 0 EHADRM CCC[C@@H]1CCCC[C@@H]1NC(=O)N=c1[n-]nc(SCC)s1 ZINC000560320361 1027174641 /nfs/dbraw/zinc/17/46/41/1027174641.db2.gz BNWSMQSYXRKBNG-MNOVXSKESA-N -1 0 328.507 3.552 20 0 EHADRM O=C(N=c1[n-]nc(C2CC2)s1)N[C@H](c1ccccc1)C1CCCC1 ZINC000548759930 1027295798 /nfs/dbraw/zinc/29/57/98/1027295798.db2.gz KQYCXSVHVYILGX-OAHLLOKOSA-N -1 0 342.468 3.890 20 0 EHADRM Cc1c(Br)cccc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000228304071 1027354637 /nfs/dbraw/zinc/35/46/37/1027354637.db2.gz KKUDWPWPHKATJE-MNOVXSKESA-N -1 0 340.217 3.587 20 0 EHADRM CSCc1ccccc1NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000273440839 1027427160 /nfs/dbraw/zinc/42/71/60/1027427160.db2.gz AYIOSLZIKWZSQY-IBGZPJMESA-N -1 0 343.448 3.921 20 0 EHADRM CC(C)(C)Oc1c(F)cc(NC(=O)[C@H]2CCC[C@H]2C(=O)[O-])cc1F ZINC000634828970 1027521698 /nfs/dbraw/zinc/52/16/98/1027521698.db2.gz JVPYRMMSWORFAG-WDEREUQCSA-N -1 0 341.354 3.582 20 0 EHADRM COCC(C)(C)CCCNC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1 ZINC000487490071 1027599749 /nfs/dbraw/zinc/59/97/49/1027599749.db2.gz ZDKGYOKZYXJRPL-LJQANCHMSA-N -1 0 341.492 3.617 20 0 EHADRM CCOC(=O)c1ccc(NC(=O)c2ccc(F)c(SC)c2)c(O)c1 ZINC000501866230 1027619233 /nfs/dbraw/zinc/61/92/33/1027619233.db2.gz HQTLZSGVZAYSEV-UHFFFAOYSA-N -1 0 349.383 3.682 20 0 EHADRM COc1ccc(-c2n[n-]c(=N[C@@H](C)c3ncc(C)s3)s2)cc1 ZINC000420592680 1027645450 /nfs/dbraw/zinc/64/54/50/1027645450.db2.gz ARVFEMNVTRNJFA-JTQLQIEISA-N -1 0 332.454 3.574 20 0 EHADRM CN(C(=O)N=c1[n-]nc(C2CC2)s1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000582771022 1027653947 /nfs/dbraw/zinc/65/39/47/1027653947.db2.gz NGTCRAJXSWKXLE-HUUCEWRRSA-N -1 0 342.468 3.637 20 0 EHADRM CC[C@@H]1C[C@@H](N=c2[n-]nc(Cc3ccc(Cl)cc3)s2)CCO1 ZINC000420642118 1027664728 /nfs/dbraw/zinc/66/47/28/1027664728.db2.gz SLIANRGJYQFUCB-UONOGXRCSA-N -1 0 337.876 3.574 20 0 EHADRM Cc1c(Cl)cc(NC(=O)N2CCCC[C@@H]2C(=O)[O-])cc1Cl ZINC000574473749 1027834647 /nfs/dbraw/zinc/83/46/47/1027834647.db2.gz AANJXLVDBYWBGT-GFCCVEGCSA-N -1 0 331.199 3.773 20 0 EHADRM C[C@H]1CCN(C(=O)CC2CCC(C(=O)[O-])CC2)[C@H](c2ccco2)C1 ZINC000582847170 1027995559 /nfs/dbraw/zinc/99/55/59/1027995559.db2.gz DHIXVHXYZHOURM-LBDPXKHJSA-N -1 0 333.428 3.860 20 0 EHADRM Cc1ccc(N=c2[n-]nc(SCCC[C@H](C)O)s2)cc1Cl ZINC000475971602 1028046057 /nfs/dbraw/zinc/04/60/57/1028046057.db2.gz WHFWPNSRQBFSSF-JTQLQIEISA-N -1 0 343.905 3.919 20 0 EHADRM CC(C)CCOC1CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)CC1 ZINC000277950633 1028075928 /nfs/dbraw/zinc/07/59/28/1028075928.db2.gz HDCZPNRYLXIEJJ-UHFFFAOYSA-N -1 0 343.826 3.852 20 0 EHADRM Cc1csc(C2(NC(=O)c3cc(F)c([O-])c(Cl)c3)CCC2)n1 ZINC000277948694 1028080732 /nfs/dbraw/zinc/08/07/32/1028080732.db2.gz JMEUEGKAUWEPKV-UHFFFAOYSA-N -1 0 340.807 3.759 20 0 EHADRM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccccc1C(C)(F)F ZINC000421164399 1028144900 /nfs/dbraw/zinc/14/49/00/1028144900.db2.gz KMXKCZZGQOIGSJ-LBPRGKRZSA-N -1 0 335.416 3.601 20 0 EHADRM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccccc1C(C)(F)F ZINC000421164396 1028145004 /nfs/dbraw/zinc/14/50/04/1028145004.db2.gz KMXKCZZGQOIGSJ-GFCCVEGCSA-N -1 0 335.416 3.601 20 0 EHADRM CC[C@@H]1CN(C(=O)N=c2cc(C)c(C)n[n-]2)CC[C@H]1c1ccccc1 ZINC000467490416 1028145863 /nfs/dbraw/zinc/14/58/63/1028145863.db2.gz PHEQORLHOYQPLK-SJLPKXTDSA-N -1 0 338.455 3.563 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCCC3)c(C)o1 ZINC000421177338 1028154400 /nfs/dbraw/zinc/15/44/00/1028154400.db2.gz VFSIOZZJNRIMPE-UHFFFAOYSA-N -1 0 333.409 3.606 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)nn1C(C)C ZINC000421177095 1028154849 /nfs/dbraw/zinc/15/48/49/1028154849.db2.gz UXQQRDVIBYXYEU-UHFFFAOYSA-N -1 0 347.362 3.592 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2C)nn1C(C)C ZINC000421178907 1028158482 /nfs/dbraw/zinc/15/84/82/1028158482.db2.gz YWPMJIOJEQQFCC-UHFFFAOYSA-N -1 0 327.837 3.535 20 0 EHADRM COc1ccc2oc(C)c(C(=O)NCCCCCCCC(=O)[O-])c2c1 ZINC000237341756 1028178301 /nfs/dbraw/zinc/17/83/01/1028178301.db2.gz WPGABMBTLSKNRP-UHFFFAOYSA-N -1 0 347.411 3.905 20 0 EHADRM CO[C@H](C)c1nc(=N[C@H](C)c2ccccc2C(F)(F)F)s[n-]1 ZINC000509544187 1028204689 /nfs/dbraw/zinc/20/46/89/1028204689.db2.gz QAAPFUDVFNBZHP-RKDXNWHRSA-N -1 0 331.363 3.859 20 0 EHADRM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(-c2ccccc2)cn1 ZINC000421230442 1028215272 /nfs/dbraw/zinc/21/52/72/1028215272.db2.gz VCMMSHQHBHHCTL-KRWDZBQOSA-N -1 0 348.468 3.551 20 0 EHADRM CCCCN(C(=O)N=c1nc([C@H](C)OC)[n-]s1)C1CCCCC1 ZINC000455457019 1028218713 /nfs/dbraw/zinc/21/87/13/1028218713.db2.gz QCATXNFYCCNDAT-LBPRGKRZSA-N -1 0 340.493 3.634 20 0 EHADRM N#Cc1ccc2c(c1)CC/C(=C\c1ccc(OCCC(=O)[O-])cc1)C2=O ZINC000078696752 1028275572 /nfs/dbraw/zinc/27/55/72/1028275572.db2.gz JBSKKSWKXFJBGK-GZTJUZNOSA-N -1 0 347.370 3.624 20 0 EHADRM Cc1ccccc1C[C@@H](C)N(C)C(=O)N=c1[n-]nc(CC(C)C)s1 ZINC000444839069 1028337483 /nfs/dbraw/zinc/33/74/83/1028337483.db2.gz RYNVPQGAZXMNPK-CQSZACIVSA-N -1 0 346.500 3.562 20 0 EHADRM C[C@H]1CC(NC(=O)c2cc(Cl)c3ccccc3c2[O-])C[C@H](C)O1 ZINC000536637453 1028423782 /nfs/dbraw/zinc/42/37/82/1028423782.db2.gz PSTZQGZDBSGLQE-QWRGUYRKSA-N -1 0 333.815 3.885 20 0 EHADRM COC(=O)Cc1cc(Nc2cc(Cl)cc(C(=O)[O-])c2)ccc1C ZINC001211969425 1028430191 /nfs/dbraw/zinc/43/01/91/1028430191.db2.gz ISIMNAJIAREMEZ-UHFFFAOYSA-N -1 0 333.771 3.806 20 0 EHADRM CC(C)CN(CC(=O)[O-])C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000236678720 1028562288 /nfs/dbraw/zinc/56/22/88/1028562288.db2.gz DCHBQXMKGSMKPU-RYUDHWBXSA-N -1 0 344.238 3.666 20 0 EHADRM Cc1cccc([C@@H](C)NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)c1C ZINC000523737535 1028578358 /nfs/dbraw/zinc/57/83/58/1028578358.db2.gz BXNLWEDRMVEJCG-IIBYNOLFSA-N -1 0 339.435 3.913 20 0 EHADRM CC[C@H](C)c1ccccc1OCC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000236898293 1028594155 /nfs/dbraw/zinc/59/41/55/1028594155.db2.gz IIHRUVSRWQDPOZ-HOTGVXAUSA-N -1 0 347.455 3.825 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)C(C)(C)c2ccccc2)s[n-]1 ZINC000472277729 1028638161 /nfs/dbraw/zinc/63/81/61/1028638161.db2.gz NJLARYJDFSNHMX-UHFFFAOYSA-N -1 0 343.477 3.913 20 0 EHADRM C[C@H](CCC(=O)[O-])NC(=O)c1ccccc1Sc1ccccc1 ZINC000237416847 1028649859 /nfs/dbraw/zinc/64/98/59/1028649859.db2.gz TVFBSWVKYINRDU-CYBMUJFWSA-N -1 0 329.421 3.821 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)CSc1ccccc1)C(=O)[O-] ZINC000237482684 1028653685 /nfs/dbraw/zinc/65/36/85/1028653685.db2.gz GEBGALRRQKQOQD-HNNXBMFYSA-N -1 0 343.448 3.528 20 0 EHADRM Cc1nc([C@H](C)NC(=O)c2ccc3ccccc3c2)sc1C(=O)[O-] ZINC000237486188 1028654196 /nfs/dbraw/zinc/65/41/96/1028654196.db2.gz KELHBNDZCQRUJC-NSHDSACASA-N -1 0 340.404 3.794 20 0 EHADRM COC(=O)c1c(C)cccc1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000445268394 1028657456 /nfs/dbraw/zinc/65/74/56/1028657456.db2.gz YXAASCOSCPPVFN-UHFFFAOYSA-N -1 0 337.734 3.532 20 0 EHADRM CO[C@H](c1noc(-c2ccc([O-])c(Cl)c2)n1)c1ccc(F)cc1 ZINC000445264895 1028671662 /nfs/dbraw/zinc/67/16/62/1028671662.db2.gz QXFSRYLXGXVRCO-AWEZNQCLSA-N -1 0 334.734 3.971 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H](c2cccc(F)c2)C2CCCC2)cn1 ZINC000238027276 1028673790 /nfs/dbraw/zinc/67/37/90/1028673790.db2.gz ZKJGWBRSCKQDDT-KRWDZBQOSA-N -1 0 342.370 3.580 20 0 EHADRM CCOc1cc(-c2noc(CC[C@H]3CCCO3)n2)cc(Cl)c1O ZINC000278050562 1028693786 /nfs/dbraw/zinc/69/37/86/1028693786.db2.gz LICQRIHISWRKRJ-LLVKDONJSA-N -1 0 338.791 3.606 20 0 EHADRM Cc1cccc(NC(=O)Cc2noc(-c3ccc(Cl)cc3[O-])n2)c1 ZINC000445327275 1028705401 /nfs/dbraw/zinc/70/54/01/1028705401.db2.gz FHSWOEMDKLRKKY-UHFFFAOYSA-N -1 0 343.770 3.585 20 0 EHADRM Cc1cc(C)n([C@H](C)Cc2nc(-c3ccc(O)cc3Cl)no2)n1 ZINC000445444782 1028801649 /nfs/dbraw/zinc/80/16/49/1028801649.db2.gz KDVHKDAASOLSLO-LLVKDONJSA-N -1 0 332.791 3.713 20 0 EHADRM C[C@H](Oc1ccc(/C=C/c2ccc3cccc(O)c3n2)cc1)C(=O)[O-] ZINC000504712266 1028839875 /nfs/dbraw/zinc/83/98/75/1028839875.db2.gz NWQYAIPOSSXKLK-NEXMIYJRSA-N -1 0 335.359 3.963 20 0 EHADRM Cn1c(Nc2ccc(S(=O)(=O)[O-])cc2Cl)cc2ccccc21 ZINC001212052600 1028923348 /nfs/dbraw/zinc/92/33/48/1028923348.db2.gz XJTKRSYTJMZXRD-UHFFFAOYSA-N -1 0 336.800 3.822 20 0 EHADRM O=C(NC[C@@H]1CC12CCSCC2)c1c([O-])cc(Cl)cc1Cl ZINC000421909404 1028925477 /nfs/dbraw/zinc/92/54/77/1028925477.db2.gz GUSCNKHWQHCFRS-VIFPVBQESA-N -1 0 346.279 3.962 20 0 EHADRM COc1cccc(-c2nc(CN3CCC[C@H](C)[C@H]3C(=O)[O-])cs2)c1 ZINC000424274070 1028948568 /nfs/dbraw/zinc/94/85/68/1028948568.db2.gz VCKIFNSZMHAPDB-LRDDRELGSA-N -1 0 346.452 3.504 20 0 EHADRM c1c2c(nn1C1CCCC1)[C@H](N=c1[n-]nc(C3CC3)s1)CCC2 ZINC000445598596 1028980541 /nfs/dbraw/zinc/98/05/41/1028980541.db2.gz CSQWFUFBNXCHMP-CQSZACIVSA-N -1 0 329.473 3.639 20 0 EHADRM CC[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)ccc1C ZINC000583154119 1029028780 /nfs/dbraw/zinc/02/87/80/1029028780.db2.gz UJXIEGCLGWACSE-OCCSQVGLSA-N -1 0 328.416 3.641 20 0 EHADRM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)NCCC(C)(C)C(=O)[O-])o1 ZINC000424405151 1029053746 /nfs/dbraw/zinc/05/37/46/1029053746.db2.gz NSXBANXZJUJHPL-GXTWGEPZSA-N -1 0 336.432 3.572 20 0 EHADRM CC(C)C[C@@H](C)n1nccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000524297441 1029059488 /nfs/dbraw/zinc/05/94/88/1029059488.db2.gz ZOZAQCOWYXHBQW-LLVKDONJSA-N -1 0 343.399 3.569 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)/C=C/c1cccc(F)c1)C(=O)[O-] ZINC000237404446 1029168027 /nfs/dbraw/zinc/16/80/27/1029168027.db2.gz NLDPAWNYTJBDDZ-AUECHBEKSA-N -1 0 341.382 3.588 20 0 EHADRM Cc1ccccc1[C@H]1CN(C(=O)c2cc(F)cc(Cl)c2[O-])CCO1 ZINC000154456570 1029179207 /nfs/dbraw/zinc/17/92/07/1029179207.db2.gz YSNJUQSZVUWNQR-MRXNPFEDSA-N -1 0 349.789 3.707 20 0 EHADRM CCc1oc(C(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)cc1C(=O)[O-] ZINC000261607102 1029459858 /nfs/dbraw/zinc/45/98/58/1029459858.db2.gz DSDKWQYYGLIGEZ-HIFRSBDPSA-N -1 0 341.407 3.806 20 0 EHADRM CCc1oc(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)cc1C(=O)[O-] ZINC000261605412 1029460337 /nfs/dbraw/zinc/46/03/37/1029460337.db2.gz DITSXEKCZFMDKI-AAEUAGOBSA-N -1 0 345.370 3.698 20 0 EHADRM CCc1oc(C(=O)N2CCC[C@H]2c2cccc(OC)c2)cc1C(=O)[O-] ZINC000261626089 1029463052 /nfs/dbraw/zinc/46/30/52/1029463052.db2.gz IPBUBTPFAKAWRQ-HNNXBMFYSA-N -1 0 343.379 3.526 20 0 EHADRM Cc1ccccc1[C@@H](C)CC(=O)NC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000237464453 1029463452 /nfs/dbraw/zinc/46/34/52/1029463452.db2.gz BNOGKOMNFCDMOQ-WMZOPIPTSA-N -1 0 339.435 3.548 20 0 EHADRM O=C(N[C@@H]1C[C@@H]1Cc1ccccc1)c1cccc(Br)c1[O-] ZINC000524737048 1029474814 /nfs/dbraw/zinc/47/48/14/1029474814.db2.gz CBCFBHDWAFNVAJ-SWLSCSKDSA-N -1 0 346.224 3.516 20 0 EHADRM CCc1oc(C(=O)N2CCC[C@](C)(c3ccccc3)C2)cc1C(=O)[O-] ZINC000261692156 1029484728 /nfs/dbraw/zinc/48/47/28/1029484728.db2.gz SAILLTHPXIBTBB-FQEVSTJZSA-N -1 0 341.407 3.734 20 0 EHADRM C[C@@H](C(=O)[N-]OCCC(F)(F)F)c1ccc(Br)s1 ZINC000162836608 1029552485 /nfs/dbraw/zinc/55/24/85/1029552485.db2.gz GVPWUCAZNMAFAF-ZCFIWIBFSA-N -1 0 346.168 3.614 20 0 EHADRM O=C([O-])c1cccc(CC(=O)N2CCCCC[C@@H]2c2ccco2)c1 ZINC000262166577 1029570361 /nfs/dbraw/zinc/57/03/61/1029570361.db2.gz KZGCYHKMAZQCTH-MRXNPFEDSA-N -1 0 327.380 3.664 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000262809146 1029637522 /nfs/dbraw/zinc/63/75/22/1029637522.db2.gz AYKBETDFBLXPSP-RLFDGXBXSA-N -1 0 341.810 3.588 20 0 EHADRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(CSc2ccccc2)cc1 ZINC000262833000 1029641708 /nfs/dbraw/zinc/64/17/08/1029641708.db2.gz BTINOZFLNIODMF-IYBDPMFKSA-N -1 0 341.432 3.572 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)cc1 ZINC000262877763 1029647403 /nfs/dbraw/zinc/64/74/03/1029647403.db2.gz BOJYLYGQHMCJJT-TZMCWYRMSA-N -1 0 329.421 3.659 20 0 EHADRM CCC(CC)n1ncc(C(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])c1C ZINC000262939850 1029652166 /nfs/dbraw/zinc/65/21/66/1029652166.db2.gz LHISEKRDPSKPKT-NVXWUHKLSA-N -1 0 349.475 3.706 20 0 EHADRM Cc1cc(C)c(C(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)c(C)c1 ZINC000262967222 1029653090 /nfs/dbraw/zinc/65/30/90/1029653090.db2.gz SFQBFEBMJZUECY-ROUUACIJSA-N -1 0 337.419 3.552 20 0 EHADRM Cc1cccc(C)c1C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263037726 1029659415 /nfs/dbraw/zinc/65/94/15/1029659415.db2.gz DHKDQQLWWADAFR-KRWDZBQOSA-N -1 0 325.408 3.509 20 0 EHADRM Cc1cc(NC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)ccc1OC(C)C ZINC000263066968 1029662939 /nfs/dbraw/zinc/66/29/39/1029662939.db2.gz PGTSCSNCJAKZTG-IFXJQAMLSA-N -1 0 346.427 3.501 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000263075375 1029663631 /nfs/dbraw/zinc/66/36/31/1029663631.db2.gz AWWYYXBJTPWVSP-LBPRGKRZSA-N -1 0 347.361 3.799 20 0 EHADRM C[C@H](C(=O)[O-])N(Cc1csc(-c2ccc(Cl)cc2)n1)C1CC1 ZINC000263213950 1029674606 /nfs/dbraw/zinc/67/46/06/1029674606.db2.gz ZNFZGVLJRIWDHQ-SNVBAGLBSA-N -1 0 336.844 3.901 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)[C@@H]1CCSc2ccccc21 ZINC000263207853 1029674993 /nfs/dbraw/zinc/67/49/93/1029674993.db2.gz WCOAITJQAYTXAM-UKRRQHHQSA-N -1 0 333.453 3.512 20 0 EHADRM CC1(C)CCC[C@@H](C(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)C1 ZINC000263247063 1029679450 /nfs/dbraw/zinc/67/94/50/1029679450.db2.gz UTYBIMSDXYSGFG-IKGGRYGDSA-N -1 0 329.440 3.530 20 0 EHADRM COc1ccc2sc(C(=O)N3C[C@H](C(=O)[O-])CC[C@H]3C)c(C)c2c1 ZINC000263280466 1029683929 /nfs/dbraw/zinc/68/39/29/1029683929.db2.gz XFTUEBGMEJCLQT-ZYHUDNBSSA-N -1 0 347.436 3.544 20 0 EHADRM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000263323281 1029688129 /nfs/dbraw/zinc/68/81/29/1029688129.db2.gz OCPBVTYKXTWIAR-VSZNYVQBSA-N -1 0 329.440 3.672 20 0 EHADRM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000263349397 1029689938 /nfs/dbraw/zinc/68/99/38/1029689938.db2.gz PKHOQHOMZIQEOA-BXUZGUMPSA-N -1 0 343.345 3.507 20 0 EHADRM O=C([O-])c1ccc(CC(=O)NC2CCC(c3ccccc3)CC2)cc1 ZINC000263354927 1029690446 /nfs/dbraw/zinc/69/04/46/1029690446.db2.gz RDKRKHNOZHRPQR-UHFFFAOYSA-N -1 0 337.419 3.770 20 0 EHADRM COc1ccc(C[C@H]2CCCCN2C(=O)C(C)(C)CCC(=O)[O-])cc1 ZINC000634924546 1029691643 /nfs/dbraw/zinc/69/16/43/1029691643.db2.gz CJUSIVPZDDWQGW-MRXNPFEDSA-N -1 0 347.455 3.510 20 0 EHADRM C[C@H](NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)c1cc2ccccc2s1 ZINC000263365795 1029691918 /nfs/dbraw/zinc/69/19/18/1029691918.db2.gz TVGOAMQKGIAKMI-MBNYWOFBSA-N -1 0 346.452 3.715 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)c(F)c2)C1 ZINC000263382590 1029693794 /nfs/dbraw/zinc/69/37/94/1029693794.db2.gz BXQWFMPFCIQOHD-SNVBAGLBSA-N -1 0 347.308 3.562 20 0 EHADRM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000263413520 1029695086 /nfs/dbraw/zinc/69/50/86/1029695086.db2.gz HLCNXQOYZQBAAO-LPWJVIDDSA-N -1 0 335.366 3.505 20 0 EHADRM Cc1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])c(F)c1Cl ZINC000263432396 1029697656 /nfs/dbraw/zinc/69/76/56/1029697656.db2.gz NTEUNCGFMGYLMG-LLVKDONJSA-N -1 0 327.783 3.647 20 0 EHADRM Cc1c(C(=O)[O-])cnn1-c1cccc(NC(=O)CC2=CCCCC2)c1 ZINC000263441736 1029698655 /nfs/dbraw/zinc/69/86/55/1029698655.db2.gz MLRQMKZTIQDKIB-UHFFFAOYSA-N -1 0 339.395 3.708 20 0 EHADRM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)c1cc(C(=O)[O-])ccn1 ZINC000263444860 1029699558 /nfs/dbraw/zinc/69/95/58/1029699558.db2.gz YFECQYQCRREFAA-CQSZACIVSA-N -1 0 338.407 3.783 20 0 EHADRM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)Nc1ccc(Cl)cc1Cl)C2 ZINC000263482018 1029702653 /nfs/dbraw/zinc/70/26/53/1029702653.db2.gz LEJYXIQHTCROQW-BJOHPYRUSA-N -1 0 343.210 3.712 20 0 EHADRM Cc1csc(-c2ccc(NC(=O)NC(C)(C)CCC(=O)[O-])cc2)n1 ZINC000263515894 1029707099 /nfs/dbraw/zinc/70/70/99/1029707099.db2.gz ZWEXWQYGEFZVRR-UHFFFAOYSA-N -1 0 347.440 3.883 20 0 EHADRM Cc1ccc(NC(=O)C2(Cc3ccccc3F)CC2)cc1C(=O)[O-] ZINC000263528403 1029709583 /nfs/dbraw/zinc/70/95/83/1029709583.db2.gz LGAQGTHOWQWVKN-UHFFFAOYSA-N -1 0 327.355 3.794 20 0 EHADRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1ccc(C)c(F)c1 ZINC000446619557 1029727237 /nfs/dbraw/zinc/72/72/37/1029727237.db2.gz HBDFHPOUXFFFCO-UHFFFAOYSA-N -1 0 341.429 3.665 20 0 EHADRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000446618878 1029727426 /nfs/dbraw/zinc/72/74/26/1029727426.db2.gz BPAPRKIWCRTBRN-UHFFFAOYSA-N -1 0 341.429 3.665 20 0 EHADRM CO[C@H](C)c1nc(=NCC(c2ccccc2)c2ccccc2)s[n-]1 ZINC000509683680 1029772984 /nfs/dbraw/zinc/77/29/84/1029772984.db2.gz NAMVZPKJAXXCOM-CQSZACIVSA-N -1 0 339.464 3.911 20 0 EHADRM CCCCN(C(=O)N=c1[n-]nc(/C=C\c2ccco2)s1)C1CC1 ZINC000343221334 1029804600 /nfs/dbraw/zinc/80/46/00/1029804600.db2.gz URPIFERKCJGWGU-HJWRWDBZSA-N -1 0 332.429 3.520 20 0 EHADRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1nc2ccccc2s1 ZINC000446821086 1029807642 /nfs/dbraw/zinc/80/76/42/1029807642.db2.gz KZFBSQQMWCCXIC-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000583451237 1029843235 /nfs/dbraw/zinc/84/32/35/1029843235.db2.gz OZBXZYGNRURVAM-LBPRGKRZSA-N -1 0 341.810 3.628 20 0 EHADRM O=S(=O)([N-]c1nc2ccccc2n1C1CCCC1)c1ccccc1 ZINC000525434539 1029845895 /nfs/dbraw/zinc/84/58/95/1029845895.db2.gz GKHRRRFMUAMUJQ-UHFFFAOYSA-N -1 0 341.436 3.952 20 0 EHADRM Cc1ccc(-c2n[n-]c(=NCc3cc(Cl)cc4c3OCC4)o2)s1 ZINC000446966266 1029868010 /nfs/dbraw/zinc/86/80/10/1029868010.db2.gz MHQXVOJHGFVRER-UHFFFAOYSA-N -1 0 347.827 3.729 20 0 EHADRM CO[C@H](C)c1nc(=Nc2ccc(OCc3ccccc3)cc2)s[n-]1 ZINC000509642395 1029957735 /nfs/dbraw/zinc/95/77/35/1029957735.db2.gz XCKYEWXDWPFOQR-CYBMUJFWSA-N -1 0 341.436 3.990 20 0 EHADRM CC(C)(CC(=O)N1CCC(F)(c2cccc(Cl)c2)CC1)C(=O)[O-] ZINC000583546217 1030090227 /nfs/dbraw/zinc/09/02/27/1030090227.db2.gz JOJLWCSPKAEBOT-UHFFFAOYSA-N -1 0 341.810 3.628 20 0 EHADRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N3[C@H](C)CC[C@@H]3C)s2)c1 ZINC000481956651 1030134006 /nfs/dbraw/zinc/13/40/06/1030134006.db2.gz LPZUYXUFYAYCCI-BETUJISGSA-N -1 0 330.457 3.649 20 0 EHADRM Cc1ccn(-c2ccccc2CN=c2[n-]nc(-c3ccccc3)s2)n1 ZINC000532009311 1030230561 /nfs/dbraw/zinc/23/05/61/1030230561.db2.gz VBOOQUUZMWSVPR-UHFFFAOYSA-N -1 0 347.447 3.733 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)c1Cl ZINC000525956877 1030252495 /nfs/dbraw/zinc/25/24/95/1030252495.db2.gz ORBRVSGKXMNADM-UHFFFAOYSA-N -1 0 334.828 3.941 20 0 EHADRM C[C@@H](NCc1cscc1C(F)(F)F)c1nc(C(=O)[O-])cs1 ZINC000630465627 1030329313 /nfs/dbraw/zinc/32/93/13/1030329313.db2.gz WSOIODUQMUDNDM-ZCFIWIBFSA-N -1 0 336.360 3.772 20 0 EHADRM C[C@H]1Cc2ccccc2[C@H]1NC(=O)CC1(C(=O)[O-])CCCCCC1 ZINC000237595744 1030346481 /nfs/dbraw/zinc/34/64/81/1030346481.db2.gz SFTNWWWBJIHKGL-KSSFIOAISA-N -1 0 329.440 3.851 20 0 EHADRM CC[C@H](C)[C@@H](NC(=O)Nc1ccc(C)c(-c2nc(C)co2)c1)C(=O)[O-] ZINC000583671619 1030418643 /nfs/dbraw/zinc/41/86/43/1030418643.db2.gz BBTWYINVZITUBU-ZUZCIYMTSA-N -1 0 345.399 3.579 20 0 EHADRM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccsc3)cc2)cs1 ZINC000349916020 1030420698 /nfs/dbraw/zinc/42/06/98/1030420698.db2.gz PSQDPIVPFIKZAZ-UHFFFAOYSA-N -1 0 336.463 3.981 20 0 EHADRM CC(C)Oc1ccccc1[C@@H](C)NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000567968991 1030430445 /nfs/dbraw/zinc/43/04/45/1030430445.db2.gz IGLZIJHTKIQTNZ-QQFBHYJXSA-N -1 0 347.455 3.932 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)c2cc(C)c(C)o2)s1)c1ccccc1 ZINC000532264730 1030513430 /nfs/dbraw/zinc/51/34/30/1030513430.db2.gz GRSWNFGIOZWJDY-CQSZACIVSA-N -1 0 341.436 3.964 20 0 EHADRM Cc1ccc2[nH]c(C(=O)Nc3ccc4c(ccn4CC(=O)[O-])c3)cc2c1 ZINC000532258101 1030521707 /nfs/dbraw/zinc/52/17/07/1030521707.db2.gz KUSYHGNYROIFAB-UHFFFAOYSA-N -1 0 347.374 3.768 20 0 EHADRM Cc1cc(=O)[nH]c([C@H](C)N2CCC(c3c(F)cccc3F)CC2)n1 ZINC000447883275 1030561399 /nfs/dbraw/zinc/56/13/99/1030561399.db2.gz SAFCINKGINGCJC-LBPRGKRZSA-N -1 0 333.382 3.709 20 0 EHADRM CC(C)c1n[n-]c(=N[C@@H]2CCCc3cn(C4CCCC4)nc32)s1 ZINC000527073468 1030626726 /nfs/dbraw/zinc/62/67/26/1030626726.db2.gz FYMCCVKDLLDRPC-CQSZACIVSA-N -1 0 331.489 3.885 20 0 EHADRM CCc1cc(NC(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])ccc1C ZINC000393006846 1030666636 /nfs/dbraw/zinc/66/66/36/1030666636.db2.gz RPHWRAVFLKOGDU-GOSISDBHSA-N -1 0 338.407 3.773 20 0 EHADRM CCSCc1cccc([N-]S(=O)(=O)c2ccccc2F)c1 ZINC000610194204 1030680721 /nfs/dbraw/zinc/68/07/21/1030680721.db2.gz RYIFMMHATFFUPU-UHFFFAOYSA-N -1 0 325.430 3.880 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000448153610 1030777827 /nfs/dbraw/zinc/77/78/27/1030777827.db2.gz GBXBSUTZTYZESB-GOSISDBHSA-N -1 0 340.402 3.578 20 0 EHADRM CC(C)(C)c1nc(=NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)s[n-]1 ZINC000550967852 1030842731 /nfs/dbraw/zinc/84/27/31/1030842731.db2.gz GVDXXUVYVBPVJK-QWRGUYRKSA-N -1 0 335.860 3.653 20 0 EHADRM Cc1ccc(CS(=O)(=O)[N-]c2nc(C(C)C)cs2)c(F)c1 ZINC000194551115 1030863985 /nfs/dbraw/zinc/86/39/85/1030863985.db2.gz WVQDIEYPYYNPIZ-UHFFFAOYSA-N -1 0 328.434 3.656 20 0 EHADRM C[C@H](NC(=O)CC1(C(=O)[O-])CCC1)c1ccc(-c2cccnc2)cc1 ZINC000262779603 1030907595 /nfs/dbraw/zinc/90/75/95/1030907595.db2.gz MBTNREMQDRMLMJ-AWEZNQCLSA-N -1 0 338.407 3.571 20 0 EHADRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)c1ccc(-c2ccccc2F)o1 ZINC000262797169 1030914219 /nfs/dbraw/zinc/91/42/19/1030914219.db2.gz AEGAUOQRCSSDEI-SFHVURJKSA-N -1 0 333.359 3.705 20 0 EHADRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2SCCc3ccccc32)c1 ZINC000262824769 1030919579 /nfs/dbraw/zinc/91/95/79/1030919579.db2.gz AZUNXRRGXDRARR-YVEFUNNKSA-N -1 0 341.432 3.844 20 0 EHADRM Cn1ccc2ccc([N-]S(=O)(=O)c3cc(F)cc(Cl)c3)cc21 ZINC000527489572 1030945064 /nfs/dbraw/zinc/94/50/64/1030945064.db2.gz FBOFDHBUEPAKTQ-UHFFFAOYSA-N -1 0 338.791 3.772 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000448353864 1030976898 /nfs/dbraw/zinc/97/68/98/1030976898.db2.gz ZZSBVBMAEFAFLE-UWWQBHOKSA-N -1 0 336.439 3.750 20 0 EHADRM Cn1ccc2cccc([N-]S(=O)(=O)c3cc(Cl)ccc3F)c21 ZINC000551114958 1031045782 /nfs/dbraw/zinc/04/57/82/1031045782.db2.gz JJKZMTIJAGJMJZ-UHFFFAOYSA-N -1 0 338.791 3.772 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)[N-]c2nc3c(s2)CCCCC3)c1 ZINC000476909123 1031065150 /nfs/dbraw/zinc/06/51/50/1031065150.db2.gz AOWDZMZJNZFYGL-UHFFFAOYSA-N -1 0 340.445 3.660 20 0 EHADRM CCCCc1n[n-]c(=NC(=O)N(C)C[C@H](C)c2ccccc2)s1 ZINC000551139065 1031069338 /nfs/dbraw/zinc/06/93/38/1031069338.db2.gz SDDVBZCUHSNOLU-ZDUSSCGKSA-N -1 0 332.473 3.570 20 0 EHADRM Cc1ccsc1-c1nc(=NC(=O)c2occc2C(C)C)s[n-]1 ZINC000551313830 1031216684 /nfs/dbraw/zinc/21/66/84/1031216684.db2.gz GUFVNDPKNZPLHT-UHFFFAOYSA-N -1 0 333.438 3.966 20 0 EHADRM Cc1nc([C@@H](C)Sc2n[nH]c(=O)[n-]2)oc1-c1ccc(Cl)cc1 ZINC000194638324 1031265032 /nfs/dbraw/zinc/26/50/32/1031265032.db2.gz WBLPRBSMVRRDTD-MRVPVSSYSA-N -1 0 336.804 3.980 20 0 EHADRM COCc1n[n-]c(=NCC2(Sc3ccccc3)CCCC2)s1 ZINC000477114864 1031267798 /nfs/dbraw/zinc/26/77/98/1031267798.db2.gz PZNLZELGKFVHEA-UHFFFAOYSA-N -1 0 335.498 3.623 20 0 EHADRM COCc1n[n-]c(=NCc2ccc(C)cc2Oc2ccccc2)s1 ZINC000477129468 1031278115 /nfs/dbraw/zinc/27/81/15/1031278115.db2.gz SDRKBCUBMXPUCB-UHFFFAOYSA-N -1 0 341.436 3.819 20 0 EHADRM C[C@H](c1ccccc1F)N(C)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000175267947 1031317636 /nfs/dbraw/zinc/31/76/36/1031317636.db2.gz BSAFUHCYUKRTCB-CYBMUJFWSA-N -1 0 339.370 3.550 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1)C(=O)[O-] ZINC000668271687 1031368784 /nfs/dbraw/zinc/36/87/84/1031368784.db2.gz LXRMSFXWMLKROP-LBPRGKRZSA-N -1 0 345.361 3.756 20 0 EHADRM COCCCOc1ccc(-c2ccc(C3(C(=O)[O-])CC3)cc2)cc1 ZINC000146928673 1031382782 /nfs/dbraw/zinc/38/27/82/1031382782.db2.gz ZFBITLVYZWQDBX-UHFFFAOYSA-N -1 0 326.392 3.885 20 0 EHADRM CO[C@](C)(C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1)c1ccccc1F ZINC000668293324 1031411372 /nfs/dbraw/zinc/41/13/72/1031411372.db2.gz XYROGBIYKKGARK-BUXKBTBVSA-N -1 0 345.370 3.514 20 0 EHADRM CC[C@H](c1cccc(OC)c1)N(C)C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000668298641 1031423645 /nfs/dbraw/zinc/42/36/45/1031423645.db2.gz FZSAPRINFHQQOP-JTTJXQCZSA-N -1 0 347.455 3.886 20 0 EHADRM CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000484032887 1031432203 /nfs/dbraw/zinc/43/22/03/1031432203.db2.gz JJNOAPDWIORBCN-UHFFFAOYSA-N -1 0 327.352 3.553 20 0 EHADRM COCc1cccc(S(=O)(=O)[N-]c2csc3ccccc23)c1 ZINC000484088334 1031449680 /nfs/dbraw/zinc/44/96/80/1031449680.db2.gz KUGKWRAUOIHIGC-UHFFFAOYSA-N -1 0 333.434 3.849 20 0 EHADRM Cc1ccccc1-c1nc(=NCc2nnc(C(C)(C)C)s2)s[n-]1 ZINC000527919576 1031455252 /nfs/dbraw/zinc/45/52/52/1031455252.db2.gz CTIILTQLLOFGNS-UHFFFAOYSA-N -1 0 345.497 3.697 20 0 EHADRM Cc1cccc(C2(C(=O)N=c3ccc(C(F)(F)F)n[n-]3)CCCC2)c1 ZINC000484151127 1031471724 /nfs/dbraw/zinc/47/17/24/1031471724.db2.gz XPLPSYHSDIOACA-UHFFFAOYSA-N -1 0 349.356 3.676 20 0 EHADRM Cc1oc2ccccc2c1CCNC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000668316493 1031475019 /nfs/dbraw/zinc/47/50/19/1031475019.db2.gz KEOROVNNRMGGBG-UHFFFAOYSA-N -1 0 343.423 3.681 20 0 EHADRM Cc1ccc([C@H]2CCN(C(=O)c3cccc(CC(=O)[O-])c3)C2)c(C)c1 ZINC000668321990 1031482003 /nfs/dbraw/zinc/48/20/03/1031482003.db2.gz GIAWIGOPWXESGF-SFHVURJKSA-N -1 0 337.419 3.560 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N[C@@H]2C[C@H]2c2cccc3ccccc32)C1 ZINC000668323104 1031491941 /nfs/dbraw/zinc/49/19/41/1031491941.db2.gz OYGBHCDEBJMFDA-LVFSCSRESA-N -1 0 337.419 3.703 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)Nc1ccc(-c2csc(C)n2)cc1)C(=O)[O-] ZINC000584031473 1031502232 /nfs/dbraw/zinc/50/22/32/1031502232.db2.gz MNYDEJSZARVVNF-MEBBXXQBSA-N -1 0 347.440 3.739 20 0 EHADRM CC[C@H](C)c1nnc([C@@H](C)N=c2nc(-c3ccccc3C)[n-]s2)[nH]1 ZINC000527977121 1031512956 /nfs/dbraw/zinc/51/29/56/1031512956.db2.gz DAJBIOBLMNPZOK-CMPLNLGQSA-N -1 0 342.472 3.740 20 0 EHADRM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(CCCl)cc1 ZINC000042777456 1031514615 /nfs/dbraw/zinc/51/46/15/1031514615.db2.gz GNRMCJQYSHWLII-UHFFFAOYSA-N -1 0 339.844 3.586 20 0 EHADRM Cc1ccc(S(=O)(=O)N(C)c2ccc(C(C)C)cc2)cc1C(=O)[O-] ZINC000477422068 1031537976 /nfs/dbraw/zinc/53/79/76/1031537976.db2.gz INCYQTLVPWQSDV-UHFFFAOYSA-N -1 0 347.436 3.642 20 0 EHADRM CCOC(=O)Cc1ccc(F)c(Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC001211608195 1031540030 /nfs/dbraw/zinc/54/00/30/1031540030.db2.gz MVLBBNKTDXPRBT-UHFFFAOYSA-N -1 0 331.343 3.682 20 0 EHADRM Cc1nnc([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)s1 ZINC000083955911 1031540536 /nfs/dbraw/zinc/54/05/36/1031540536.db2.gz ZBBYICCZLUYXLV-UHFFFAOYSA-N -1 0 345.858 3.515 20 0 EHADRM CC(C)(C)c1coc(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)n1 ZINC000903998099 1031582290 /nfs/dbraw/zinc/58/22/90/1031582290.db2.gz DFZNJDGSISLLLC-CYBMUJFWSA-N -1 0 336.819 3.931 20 0 EHADRM CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1sccc1C ZINC000484462551 1031594038 /nfs/dbraw/zinc/59/40/38/1031594038.db2.gz SFCWYQNTSDHYQN-UHFFFAOYSA-N -1 0 327.475 3.552 20 0 EHADRM Cc1nn(C)c(Cl)c1CNc1ccc(S[C@H](C)C(=O)[O-])cc1 ZINC000904017096 1031606505 /nfs/dbraw/zinc/60/65/05/1031606505.db2.gz GOIQMPATCZSETO-SNVBAGLBSA-N -1 0 339.848 3.559 20 0 EHADRM CC(C)(C)c1coc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)n1 ZINC000904005477 1031621769 /nfs/dbraw/zinc/62/17/69/1031621769.db2.gz SBDGQEHTVWFCQX-CQSZACIVSA-N -1 0 340.782 3.680 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]c2nnc(CC3CCCC3)o2)cc1 ZINC000194902884 1031662039 /nfs/dbraw/zinc/66/20/39/1031662039.db2.gz RPDXVNBOYFXBOD-UHFFFAOYSA-N -1 0 349.456 3.556 20 0 EHADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cnc3n2CCCC3)cc1 ZINC000584094532 1031702169 /nfs/dbraw/zinc/70/21/69/1031702169.db2.gz HXLSZQRBSJTPFD-ZDUSSCGKSA-N -1 0 333.457 3.534 20 0 EHADRM CCOc1ccc(S(=O)(=O)[N-]c2cnccc2C)c2ccccc12 ZINC000085235398 1031719384 /nfs/dbraw/zinc/71/93/84/1031719384.db2.gz WWQURGFAKGLCCV-UHFFFAOYSA-N -1 0 342.420 3.743 20 0 EHADRM Cc1cccc([C@H](C)C(=O)NCc2ccc(O)c(Br)c2)c1 ZINC000151612100 1031743837 /nfs/dbraw/zinc/74/38/37/1031743837.db2.gz ICFYWCVQNBRXDN-LBPRGKRZSA-N -1 0 348.240 3.883 20 0 EHADRM Cc1ccc(N2CCc3cc(Br)cc(N)c32)cc1C(=O)[O-] ZINC001211610196 1031782678 /nfs/dbraw/zinc/78/26/78/1031782678.db2.gz KEXCJNGIEQTYJQ-UHFFFAOYSA-N -1 0 347.212 3.732 20 0 EHADRM Cc1ccccc1[C@H]1CN(C(=O)c2cc(F)c([O-])c(F)c2)[C@H](C)CO1 ZINC000180075474 1031837349 /nfs/dbraw/zinc/83/73/49/1031837349.db2.gz LHLDEBGLXBMCKI-SJKOYZFVSA-N -1 0 347.361 3.581 20 0 EHADRM Cc1cccc(NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)c1C ZINC000904196157 1031843566 /nfs/dbraw/zinc/84/35/66/1031843566.db2.gz VHMXANNKQPSNMG-UHFFFAOYSA-N -1 0 328.412 3.810 20 0 EHADRM CC1CCN(c2ccc(N[C@H]3C[C@@H](NC(=O)[O-])C34CCC4)cc2)CC1 ZINC000904199593 1031845303 /nfs/dbraw/zinc/84/53/03/1031845303.db2.gz LALMQLZXSHNMHW-ZWKOTPCHSA-N -1 0 343.471 3.914 20 0 EHADRM O=C([O-])N[C@H]1C[C@H](Nc2cccc(COCC3CC3)c2)C12CCC2 ZINC000904198431 1031846048 /nfs/dbraw/zinc/84/60/48/1031846048.db2.gz DNSHJPZPOFFCFX-IRXDYDNUSA-N -1 0 330.428 3.604 20 0 EHADRM CC1CCN(c2cccc(N[C@H]3C[C@@H](NC(=O)[O-])C34CCC4)c2)CC1 ZINC000904198542 1031846379 /nfs/dbraw/zinc/84/63/79/1031846379.db2.gz ACUGHNOWBMKMCE-ZWKOTPCHSA-N -1 0 343.471 3.914 20 0 EHADRM CCCC(=O)Nc1cccc(N[C@H]2C[C@H](NC(=O)[O-])C23CCC3)c1C ZINC000904200306 1031847923 /nfs/dbraw/zinc/84/79/23/1031847923.db2.gz XKHAMOVKQFKDJA-HOTGVXAUSA-N -1 0 345.443 3.724 20 0 EHADRM Cc1cc(F)cc(NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)c1 ZINC000904201079 1031848195 /nfs/dbraw/zinc/84/81/95/1031848195.db2.gz ZNJUUNWEQVQVES-UHFFFAOYSA-N -1 0 332.375 3.640 20 0 EHADRM CC(C)Oc1c(F)cc(N[C@H]2C[C@H](NC(=O)[O-])C23CCC3)cc1F ZINC000904231323 1031869173 /nfs/dbraw/zinc/86/91/73/1031869173.db2.gz RZYFXSIGCVELKO-KBPBESRZSA-N -1 0 340.370 3.743 20 0 EHADRM O=C([O-])[C@@H](CC(=O)NCc1cc(C2CC2)ccc1F)c1ccccc1 ZINC000666105696 1031874023 /nfs/dbraw/zinc/87/40/23/1031874023.db2.gz NKZAETDOLSMLSC-KRWDZBQOSA-N -1 0 341.382 3.578 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc3c2CN(C(C)C)C3)c1 ZINC000180715013 1031901385 /nfs/dbraw/zinc/90/13/85/1031901385.db2.gz MSDXIYGDGQBKGA-UHFFFAOYSA-N -1 0 348.443 3.659 20 0 EHADRM Cc1cc2ccccc2c(NC(=O)C[C@@]2(C(=O)[O-])CCSC2)c1 ZINC000666107588 1031929774 /nfs/dbraw/zinc/92/97/74/1031929774.db2.gz NVNYDJYWXSDJFP-SFHVURJKSA-N -1 0 329.421 3.685 20 0 EHADRM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)c1 ZINC000181194234 1031952624 /nfs/dbraw/zinc/95/26/24/1031952624.db2.gz WPPJBEUQLUDPIY-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM C[C@@H](C(=O)N[C@](C)(CC(=O)[O-])c1cccc(F)c1)c1cccc(F)c1 ZINC000448996945 1032002028 /nfs/dbraw/zinc/00/20/28/1032002028.db2.gz SLDKXIAGVBRRKU-CWTRNNRKSA-N -1 0 347.361 3.575 20 0 EHADRM CCc1cc(C(=O)NC[C@@](C)(C(=O)[O-])c2ccc(F)cc2)sc1C ZINC000448995026 1032003897 /nfs/dbraw/zinc/00/38/97/1032003897.db2.gz PEQRBIZXQBSQTQ-GOSISDBHSA-N -1 0 349.427 3.530 20 0 EHADRM CCSc1ccc(C(=O)N(C)[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000448987006 1032016433 /nfs/dbraw/zinc/01/64/33/1032016433.db2.gz AAVPYAOYWFSITD-QGZVFWFLSA-N -1 0 343.448 3.567 20 0 EHADRM C[C@H](Sc1n[n-]c(=NC2CC2)s1)c1nccn1-c1ccccc1 ZINC000574661727 1033318475 /nfs/dbraw/zinc/31/84/75/1033318475.db2.gz VTKYOYSEJJQPAN-NSHDSACASA-N -1 0 343.481 3.573 20 0 EHADRM O=C([O-])CC1(NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)CCCCC1 ZINC000574619722 1033323154 /nfs/dbraw/zinc/32/31/54/1033323154.db2.gz FEVFEZZNKUWSPQ-KGLIPLIRSA-N -1 0 335.831 3.737 20 0 EHADRM CC(C)COc1cccc(CN=c2[n-]nc(Cc3ccsc3)o2)c1 ZINC000537489378 1033354201 /nfs/dbraw/zinc/35/42/01/1033354201.db2.gz RKIXXFVIGPSFKX-UHFFFAOYSA-N -1 0 343.452 3.791 20 0 EHADRM CCCc1n[n-]c(=NCc2cccc(OCc3ccc(F)cc3)c2)o1 ZINC000537490235 1033390008 /nfs/dbraw/zinc/39/00/08/1033390008.db2.gz CFXGZBZLSOLCSW-UHFFFAOYSA-N -1 0 341.386 3.774 20 0 EHADRM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc2[nH]ccc2c1 ZINC000603168421 1033412518 /nfs/dbraw/zinc/41/25/18/1033412518.db2.gz YVTPITQNFYNUID-UHFFFAOYSA-N -1 0 336.800 3.631 20 0 EHADRM O=C(c1cc(Br)c(F)cc1[O-])N(CC1CC1)CC1CC1 ZINC000449915920 1033422586 /nfs/dbraw/zinc/42/25/86/1033422586.db2.gz VMSLIGVPDOARBT-UHFFFAOYSA-N -1 0 342.208 3.556 20 0 EHADRM O=C(CSCC(=O)c1ccc(Cl)cc1)[N-]OCc1ccccc1 ZINC000170694681 1033458189 /nfs/dbraw/zinc/45/81/89/1033458189.db2.gz BVPRWGAGTBYOIH-UHFFFAOYSA-N -1 0 349.839 3.504 20 0 EHADRM C[C@H](NC(=O)CCCc1cccs1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000455954675 1033613668 /nfs/dbraw/zinc/61/36/68/1033613668.db2.gz STLBZROKGANNGV-YOEHRIQHSA-N -1 0 345.464 3.519 20 0 EHADRM CC(C)(C)c1csc([N-]S(=O)(=O)c2cc3ccccc3o2)n1 ZINC000131589687 1033615733 /nfs/dbraw/zinc/61/57/33/1033615733.db2.gz GSPNUPTYTCSTNP-UHFFFAOYSA-N -1 0 336.438 3.988 20 0 EHADRM COc1cc(C(=O)[O-])ccc1NC(=O)c1cccn1C1CCCC1 ZINC000455875676 1033618007 /nfs/dbraw/zinc/61/80/07/1033618007.db2.gz NRRQQPNTOIRACS-UHFFFAOYSA-N -1 0 328.368 3.562 20 0 EHADRM O=C(c1cc(Br)c(F)cc1[O-])N1C[C@H]2CCCC[C@@H]2C1 ZINC000450066894 1033706504 /nfs/dbraw/zinc/70/65/04/1033706504.db2.gz NPLZSAZAFUGSHY-NXEZZACHSA-N -1 0 342.208 3.556 20 0 EHADRM CSc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)nc1 ZINC000116603700 1033722626 /nfs/dbraw/zinc/72/26/26/1033722626.db2.gz SOOKEJGGXKPFCZ-UHFFFAOYSA-N -1 0 348.371 3.623 20 0 EHADRM COc1cc(C)ccc1NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000063811000 1033735361 /nfs/dbraw/zinc/73/53/61/1033735361.db2.gz AXAVKAMKQDGNAO-UHFFFAOYSA-N -1 0 341.392 3.567 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N3CCC(C(=O)[O-])CC3)cc2)cc1C ZINC000516665342 1033849283 /nfs/dbraw/zinc/84/92/83/1033849283.db2.gz XPNANVMKRAAVFS-UHFFFAOYSA-N -1 0 337.419 3.907 20 0 EHADRM C[C@H](N=c1[n-]c(-c2ccccc2)no1)c1cccc(-n2cccn2)c1 ZINC000608755516 1033865721 /nfs/dbraw/zinc/86/57/21/1033865721.db2.gz RCNKPWGSRDDXCC-AWEZNQCLSA-N -1 0 331.379 3.517 20 0 EHADRM COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccccc1OC ZINC000612059001 1033945306 /nfs/dbraw/zinc/94/53/06/1033945306.db2.gz GNZHHKMJYLBNTP-UHFFFAOYSA-N -1 0 349.452 3.802 20 0 EHADRM COc1cc([C@H](C)N=c2[n-]c(C3CCC3)no2)ccc1OC(C)C ZINC000450249658 1033988399 /nfs/dbraw/zinc/98/83/99/1033988399.db2.gz BKWBLVHNQPBGCU-LBPRGKRZSA-N -1 0 331.416 3.728 20 0 EHADRM COc1cc([C@H](C)N=c2[n-]nc(C(C)C)o2)ccc1OCC(C)C ZINC000450250349 1033991472 /nfs/dbraw/zinc/99/14/72/1033991472.db2.gz JDZZBTYCNMUALH-ZDUSSCGKSA-N -1 0 333.432 3.831 20 0 EHADRM CC(C)Cn1cc(NC(=O)Cc2ccc(O)c(F)c2)c(C(F)F)n1 ZINC000450299425 1034052271 /nfs/dbraw/zinc/05/22/71/1034052271.db2.gz PTRWCIGXGQCQGL-UHFFFAOYSA-N -1 0 341.333 3.503 20 0 EHADRM CC1(C(=O)N=c2cc(-c3cccs3)[nH][nH]2)CCC(F)(F)CC1 ZINC000529493334 1034068378 /nfs/dbraw/zinc/06/83/78/1034068378.db2.gz KMEYOCQODIYXOJ-UHFFFAOYSA-N -1 0 325.384 3.714 20 0 EHADRM Cc1ccc(C)c([N-]S(=O)(=O)c2c(C)ccc3cccnc32)c1 ZINC000476507443 1034146566 /nfs/dbraw/zinc/14/65/66/1034146566.db2.gz HXWQVLLDQRBSSB-UHFFFAOYSA-N -1 0 326.421 3.961 20 0 EHADRM O=C(C[C@H]1CCCCO1)Nc1cc(Cl)cc(Br)c1[O-] ZINC000088403529 1034196412 /nfs/dbraw/zinc/19/64/12/1034196412.db2.gz LCYLJYGLGOXPHL-SECBINFHSA-N -1 0 348.624 3.706 20 0 EHADRM CCc1c2ccccc2oc1C(=O)N=c1nc(C2(C)CC2)[n-]s1 ZINC000529696591 1034440449 /nfs/dbraw/zinc/44/04/49/1034440449.db2.gz JAGDNJOWNVLCKY-UHFFFAOYSA-N -1 0 327.409 3.572 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)c1cc2c(cccc2Cl)s1 ZINC000604708279 1034463075 /nfs/dbraw/zinc/46/30/75/1034463075.db2.gz JPYWOHYPPLFQCT-UHFFFAOYSA-N -1 0 329.812 3.896 20 0 EHADRM CCc1oc(C(=O)N2CC[C@H](c3ccccc3)C[C@H]2C)cc1C(=O)[O-] ZINC000450532027 1034466142 /nfs/dbraw/zinc/46/61/42/1034466142.db2.gz LWQAHECFPWAXRZ-HIFRSBDPSA-N -1 0 341.407 3.949 20 0 EHADRM CCc1oc(C(=O)N2C[C@H](c3ccccc3)C(C)(C)C2)cc1C(=O)[O-] ZINC000450541555 1034493633 /nfs/dbraw/zinc/49/36/33/1034493633.db2.gz QWPQNQKXWAUIRX-OAHLLOKOSA-N -1 0 341.407 3.806 20 0 EHADRM CC[C@H](CSc1ccc(C)c(C)c1)NC(=O)CCCCC(=O)[O-] ZINC000450540410 1034515975 /nfs/dbraw/zinc/51/59/75/1034515975.db2.gz OABXTCBAQPCVJQ-OAHLLOKOSA-N -1 0 337.485 3.935 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000060494003 1034608137 /nfs/dbraw/zinc/60/81/37/1034608137.db2.gz BFRUFTMJIPSZIK-UHFFFAOYSA-N -1 0 344.219 3.995 20 0 EHADRM C[C@@H](Sc1n[n-]c(=NCCc2ccccc2)s1)c1ccncc1 ZINC000605076863 1034618760 /nfs/dbraw/zinc/61/87/60/1034618760.db2.gz JRFKLSZSKCLTNV-CYBMUJFWSA-N -1 0 342.493 3.863 20 0 EHADRM C[C@H](NC(=O)c1cc(Cl)ccc1Sc1ccccc1)C(=O)[O-] ZINC000431641272 1034646388 /nfs/dbraw/zinc/64/63/88/1034646388.db2.gz WNQRUNIANYGAMI-JTQLQIEISA-N -1 0 335.812 3.694 20 0 EHADRM FC(F)(F)C[C@@H]1CCCC[C@@H]1N=c1[n-]nc(-c2ccccn2)s1 ZINC000450662265 1034656957 /nfs/dbraw/zinc/65/69/57/1034656957.db2.gz PQOBTTDFJXWDEY-QWRGUYRKSA-N -1 0 342.390 3.945 20 0 EHADRM CC(C)(C(=O)N=c1nc(-c2ccccc2)[n-]s1)c1cccc(F)c1 ZINC000605456430 1034743671 /nfs/dbraw/zinc/74/36/71/1034743671.db2.gz XVCNECUCYATDMX-UHFFFAOYSA-N -1 0 341.411 3.682 20 0 EHADRM CC(C)c1cccc(O[C@@H](C(=O)N=c2cccn[n-]2)c2ccccc2)c1 ZINC000605471136 1034750038 /nfs/dbraw/zinc/75/00/38/1034750038.db2.gz XWQJDNNHNFKSPL-HXUWFJFHSA-N -1 0 347.418 3.781 20 0 EHADRM CCOC(=O)CCc1c(C)[n-]n([C@@H](C)c2ccc(Cl)cc2)c1=O ZINC000601936548 1034814367 /nfs/dbraw/zinc/81/43/67/1034814367.db2.gz UGNZDZPZFVEDIT-SWLSCSKDSA-N -1 0 336.819 3.579 20 0 EHADRM Cc1ccc(CSc2n[n-]c(=N)n2C(C)C)c(Br)c1 ZINC000450827287 1034831461 /nfs/dbraw/zinc/83/14/61/1034831461.db2.gz IGXZDTSNVBVMRU-UHFFFAOYSA-N -1 0 341.278 3.635 20 0 EHADRM CC[C@H](Sc1n[n-]c(=NCC(C)C)s1)C(=O)c1ccccc1 ZINC000606150575 1034876358 /nfs/dbraw/zinc/87/63/58/1034876358.db2.gz ISRVIFRTUOSAJF-ZDUSSCGKSA-N -1 0 335.498 3.782 20 0 EHADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2cc3cc(F)ccc3o2)no1 ZINC000450972228 1034998238 /nfs/dbraw/zinc/99/82/38/1034998238.db2.gz HRAMWKCHUBUEEJ-UHFFFAOYSA-N -1 0 338.360 3.658 20 0 EHADRM C[C@@H](C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)c1cc2ccccc2o1 ZINC000347355344 1035041295 /nfs/dbraw/zinc/04/12/95/1035041295.db2.gz WHUAABDVTXXMMR-CXAGYDPISA-N -1 0 349.386 3.747 20 0 EHADRM O=C(c1s[n-]c(=O)c1Cl)N1Cc2ccccc2C2(CCC2)C1 ZINC000375995313 1035078154 /nfs/dbraw/zinc/07/81/54/1035078154.db2.gz ZMDVVWYNXJMGPV-UHFFFAOYSA-N -1 0 334.828 3.580 20 0 EHADRM C[C@H](CNCc1c(F)ccc(O)c1F)Oc1ccccc1Cl ZINC000511357900 1035086712 /nfs/dbraw/zinc/08/67/12/1035086712.db2.gz DRAZXHAROAWOIA-SNVBAGLBSA-N -1 0 327.758 3.881 20 0 EHADRM Cc1ccc(NC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)cc1Cl ZINC000570465161 1035276731 /nfs/dbraw/zinc/27/67/31/1035276731.db2.gz CPXVZHGSAJNYDC-HNNXBMFYSA-N -1 0 332.787 3.938 20 0 EHADRM CC(C)c1ccc(S(=O)(=O)[N-]c2ccnn2C2CCCC2)cc1 ZINC000066248793 1035327053 /nfs/dbraw/zinc/32/70/53/1035327053.db2.gz SALSEOBUVPEIQH-UHFFFAOYSA-N -1 0 333.457 3.922 20 0 EHADRM CO[C@@H]1CC[C@H](C(=O)Nc2cc(Br)cc(Cl)c2[O-])C1 ZINC000613113255 1035407966 /nfs/dbraw/zinc/40/79/66/1035407966.db2.gz OJMBEMHMBRUWGN-IONNQARKSA-N -1 0 348.624 3.562 20 0 EHADRM C[C@@](CC(=O)[O-])(C(=O)NC[C@@H]1CCCC1(F)F)C1CCCCC1 ZINC000414093404 1035482125 /nfs/dbraw/zinc/48/21/25/1035482125.db2.gz NXCXSECLELGMBN-BBRMVZONSA-N -1 0 331.403 3.599 20 0 EHADRM CC(C)(C)CC[C@@H](NC(=O)NC1CC(c2ccccc2)C1)C(=O)[O-] ZINC000540616439 1035505550 /nfs/dbraw/zinc/50/55/50/1035505550.db2.gz ZBXSCFKXABFEKN-UYSNPLJNSA-N -1 0 332.444 3.511 20 0 EHADRM Cc1cc(NC(=O)N(C)CC(C)(C)C)ccc1-n1cccc1C(=O)[O-] ZINC000549016596 1035669294 /nfs/dbraw/zinc/66/92/94/1035669294.db2.gz KIPHHJGIBCFNIF-UHFFFAOYSA-N -1 0 343.427 3.994 20 0 EHADRM O=C([O-])CC1(CNC(=O)c2ccc(OCC3CC3)cc2)CCCCC1 ZINC000540775278 1035671915 /nfs/dbraw/zinc/67/19/15/1035671915.db2.gz JYWHMGHIXAZMOD-UHFFFAOYSA-N -1 0 345.439 3.630 20 0 EHADRM Cc1cc(CN=c2[n-]nc(CC(C)(C)C)o2)ccc1Br ZINC000540792309 1035686356 /nfs/dbraw/zinc/68/63/56/1035686356.db2.gz SVZIHUWSFHQNLR-UHFFFAOYSA-N -1 0 338.249 3.763 20 0 EHADRM Cc1ccc(-n2[n-]c(C(=O)N(C(C)C)C3CC(C)(C)C3)cc2=O)cc1 ZINC000457073648 1035719370 /nfs/dbraw/zinc/71/93/70/1035719370.db2.gz MYTFDYOAWQLILN-UHFFFAOYSA-N -1 0 341.455 3.513 20 0 EHADRM FC(F)(F)Oc1ccc(CN=c2[n-]c(-c3ccccc3)no2)cc1 ZINC000588160167 1035732381 /nfs/dbraw/zinc/73/23/81/1035732381.db2.gz LNFJJFLQKXSVER-UHFFFAOYSA-N -1 0 335.285 3.669 20 0 EHADRM C[C@H]1CCC[C@H](N(C)C(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])C1 ZINC000666170221 1035783792 /nfs/dbraw/zinc/78/37/92/1035783792.db2.gz PUQRKYRMXQMXBP-AAEUAGOBSA-N -1 0 349.381 3.507 20 0 EHADRM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)s2)c2ncccc12 ZINC000463780100 1035828388 /nfs/dbraw/zinc/82/83/88/1035828388.db2.gz AKZVVMNWDQOHLX-UHFFFAOYSA-N -1 0 348.449 3.804 20 0 EHADRM O=S(=O)([N-]c1scnc1C1CC1)c1cccc(C(F)(F)F)c1 ZINC000534974209 1035851031 /nfs/dbraw/zinc/85/10/31/1035851031.db2.gz JZXWHQSCJBCNGS-UHFFFAOYSA-N -1 0 348.371 3.840 20 0 EHADRM Cc1nc2ccc(NC(=O)CC3(CC(=O)[O-])CCCC3)cc2s1 ZINC000321486284 1035884281 /nfs/dbraw/zinc/88/42/81/1035884281.db2.gz CDQULNFKGIRAEV-UHFFFAOYSA-N -1 0 332.425 3.968 20 0 EHADRM C[C@H](C(=O)Nc1ccc(F)c(F)c1[O-])[C@H]1OCCc2sccc21 ZINC000457319167 1035951791 /nfs/dbraw/zinc/95/17/91/1035951791.db2.gz WCMRECOAYIPFCD-VXJOIVPMSA-N -1 0 339.363 3.621 20 0 EHADRM C[C@@H](NC(=O)C(C)(C)C(=O)[O-])c1ccc(Oc2ccccc2)c(F)c1 ZINC000572043467 1035953884 /nfs/dbraw/zinc/95/38/84/1035953884.db2.gz JQQZKWRRCFAWST-GFCCVEGCSA-N -1 0 345.370 3.906 20 0 EHADRM CCSc1n[n-]c(=NC(=O)c2ccc(SC3CC3)cc2)s1 ZINC000541190229 1036057981 /nfs/dbraw/zinc/05/79/81/1036057981.db2.gz VCGJAYLBBGWWSL-UHFFFAOYSA-N -1 0 337.495 3.579 20 0 EHADRM COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC000572333948 1036057936 /nfs/dbraw/zinc/05/79/36/1036057936.db2.gz WTVQPZUMRXZQSO-UHFFFAOYSA-N -1 0 339.363 3.652 20 0 EHADRM Cc1cc(F)cc(S(=O)(=O)[N-]c2c(C)cccc2OC(F)F)c1 ZINC000175015026 1036202752 /nfs/dbraw/zinc/20/27/52/1036202752.db2.gz LDAOYRDCQSVHAE-UHFFFAOYSA-N -1 0 345.342 3.845 20 0 EHADRM O=C(/C=C\c1cnc2ccccc2n1)Nc1cc(F)cc(Cl)c1[O-] ZINC000492712186 1036204222 /nfs/dbraw/zinc/20/42/22/1036204222.db2.gz UYRVQTIXPSWLHJ-WAYWQWQTSA-N -1 0 343.745 3.780 20 0 EHADRM Cc1cccc(-c2cncc(C(=O)N[C@](C)(CC(=O)[O-])C(C)C)c2)c1 ZINC000263137568 1036319041 /nfs/dbraw/zinc/31/90/41/1036319041.db2.gz YDTQSGCRSRKVGS-HXUWFJFHSA-N -1 0 340.423 3.676 20 0 EHADRM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000319758681 1036354832 /nfs/dbraw/zinc/35/48/32/1036354832.db2.gz ZXSFMNWNTQRFMV-LLVKDONJSA-N -1 0 333.771 3.753 20 0 EHADRM CN(CCCCc1ccccc1)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000175524659 1036395353 /nfs/dbraw/zinc/39/53/53/1036395353.db2.gz GAHJCVKTUUGIPK-UHFFFAOYSA-N -1 0 349.434 3.673 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OC(C)C)cc1 ZINC000589437561 1036413715 /nfs/dbraw/zinc/41/37/15/1036413715.db2.gz WEQNZONNFNBZLN-UHFFFAOYSA-N -1 0 337.416 3.976 20 0 EHADRM CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)CCc1ccccc1 ZINC000589437436 1036414079 /nfs/dbraw/zinc/41/40/79/1036414079.db2.gz NFCQCTHLRDIWKS-UHFFFAOYSA-N -1 0 337.416 3.597 20 0 EHADRM COc1cccc(S(=O)(=O)[N-]c2ccccc2OCC(C)C)c1 ZINC000589434547 1036427062 /nfs/dbraw/zinc/42/70/62/1036427062.db2.gz SPISWYIYKHWRKR-UHFFFAOYSA-N -1 0 335.425 3.531 20 0 EHADRM CSc1ccccc1S(=O)(=O)[N-]c1ncsc1C(C)C ZINC000572676115 1036455300 /nfs/dbraw/zinc/45/53/00/1036455300.db2.gz NCOAOUYEHVEZQW-UHFFFAOYSA-N -1 0 328.484 3.789 20 0 EHADRM CCc1nc2cc(CN=c3[n-]c(C4CCC4)no3)ccc2n1C1CC1 ZINC000572711098 1036463314 /nfs/dbraw/zinc/46/33/14/1036463314.db2.gz KSSUFDGZDCDDNB-UHFFFAOYSA-N -1 0 337.427 3.618 20 0 EHADRM CCCCOc1ccc(C(=O)NCCc2cccc(C(=O)[O-])c2)cc1 ZINC000393050255 1036469172 /nfs/dbraw/zinc/46/91/72/1036469172.db2.gz KUVCOOGTWYNWKF-UHFFFAOYSA-N -1 0 341.407 3.536 20 0 EHADRM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)C1CCCCC1 ZINC000312353807 1036480209 /nfs/dbraw/zinc/48/02/09/1036480209.db2.gz YCPWUGNTUWXXEC-UHFFFAOYSA-N -1 0 340.217 3.975 20 0 EHADRM C[C@H](C1CC1)n1cc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cn1 ZINC000572811641 1036505228 /nfs/dbraw/zinc/50/52/28/1036505228.db2.gz NOEPLHPCBJCNHD-GFCCVEGCSA-N -1 0 331.441 3.532 20 0 EHADRM O=C(N=c1[n-]nc(C(F)(F)F)s1)c1ccc(C2CCCC2)cc1 ZINC000572767623 1036513269 /nfs/dbraw/zinc/51/32/69/1036513269.db2.gz POENWKCWYMVALR-UHFFFAOYSA-N -1 0 341.358 3.889 20 0 EHADRM COc1ccc(C)cc1[C@H](C)NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000013468682 1036597273 /nfs/dbraw/zinc/59/72/73/1036597273.db2.gz QVIXZHDYFVEOEW-AWEZNQCLSA-N -1 0 333.428 3.606 20 0 EHADRM CCC[C@H](CNC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000263199389 1036625222 /nfs/dbraw/zinc/62/52/22/1036625222.db2.gz NLQXZYBDTJMOMC-GXSJLCMTSA-N -1 0 332.227 3.714 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N(C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)C1CC1 ZINC000263199124 1036625419 /nfs/dbraw/zinc/62/54/19/1036625419.db2.gz JOBNGEMITYMXBE-YUTCNCBUSA-N -1 0 335.831 3.893 20 0 EHADRM Cn1cnc(/C=C/c2nc3cc(C(=O)[O-])ccc3n2-c2ccccc2)c1 ZINC000669818910 1036666007 /nfs/dbraw/zinc/66/60/07/1036666007.db2.gz IRXDBWMTZDGZTD-CSKARUKUSA-N -1 0 344.374 3.628 20 0 EHADRM Cc1ccc2c(CC(=O)N=c3nc(C(C)(C)C)[n-]s3)coc2c1C ZINC000589938107 1036669515 /nfs/dbraw/zinc/66/95/15/1036669515.db2.gz HBOWPOCGGBZEBL-UHFFFAOYSA-N -1 0 343.452 3.802 20 0 EHADRM O=C(NCc1cnc(-c2ccccc2)s1)c1cccc(F)c1[O-] ZINC001126676128 1036726251 /nfs/dbraw/zinc/72/62/51/1036726251.db2.gz DGDZJCMDXFCGBC-UHFFFAOYSA-N -1 0 328.368 3.585 20 0 EHADRM CC[C@H](C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000263244952 1036733638 /nfs/dbraw/zinc/73/36/38/1036733638.db2.gz UNELRXLYZQWCJU-LEWSCRJBSA-N -1 0 343.345 3.521 20 0 EHADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)c1 ZINC000177089490 1036766806 /nfs/dbraw/zinc/76/68/06/1036766806.db2.gz OKBXRYCFGIRMRM-UHFFFAOYSA-N -1 0 327.409 3.554 20 0 EHADRM Cc1cccc(-c2ccc(CNC(=O)[C@@H]3CC[C@H](C(=O)[O-])C3)cc2)c1 ZINC000263323273 1036786353 /nfs/dbraw/zinc/78/63/53/1036786353.db2.gz OCFCXDXHHNGDAN-MOPGFXCFSA-N -1 0 337.419 3.779 20 0 EHADRM CCCC[C@@H](CCC)NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000177293546 1036811965 /nfs/dbraw/zinc/81/19/65/1036811965.db2.gz GOEUDYWUZGQXBS-OAHLLOKOSA-N -1 0 329.444 3.563 20 0 EHADRM C[C@@H](CN=c1nc(-c2ccccc2)[n-]s1)COCc1ccccc1 ZINC000462372936 1036883408 /nfs/dbraw/zinc/88/34/08/1036883408.db2.gz LIHBNWKVWANZOL-HNNXBMFYSA-N -1 0 339.464 3.892 20 0 EHADRM O=C([O-])CC[C@H]1CCCN(C(=O)c2scnc2C2CCCC2)C1 ZINC000263459339 1036950028 /nfs/dbraw/zinc/95/00/28/1036950028.db2.gz VHKRUOKSUIZPMP-GFCCVEGCSA-N -1 0 336.457 3.518 20 0 EHADRM C[C@@H]1CC[C@@H](C(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)C[C@@H]1C ZINC000648490549 1036964719 /nfs/dbraw/zinc/96/47/19/1036964719.db2.gz LYKQWKSPFDWZQO-RVKKMQEKSA-N -1 0 343.467 3.886 20 0 EHADRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)c(C)c1C ZINC000590695936 1037012719 /nfs/dbraw/zinc/01/27/19/1037012719.db2.gz HTTPJRCKTAIUND-UHFFFAOYSA-N -1 0 345.468 3.697 20 0 EHADRM Cc1ccc(NC(=O)Cc2cccc(C(=O)[O-])c2)cc1OCC(F)F ZINC000539677636 1037055921 /nfs/dbraw/zinc/05/59/21/1037055921.db2.gz KBBQCNPADISNBA-UHFFFAOYSA-N -1 0 349.333 3.518 20 0 EHADRM CCC(CC)c1nnc([N-]S(=O)(=O)c2cc(C)sc2C)s1 ZINC000176595802 1037070167 /nfs/dbraw/zinc/07/01/67/1037070167.db2.gz MPOCYEQBHVRAMU-UHFFFAOYSA-N -1 0 345.515 3.921 20 0 EHADRM CC(C)CCc1n[n-]c(=NCc2ccc(F)c(C(F)(F)F)c2)o1 ZINC000539692650 1037079371 /nfs/dbraw/zinc/07/93/71/1037079371.db2.gz LKFORFUVYJKHTH-UHFFFAOYSA-N -1 0 331.313 3.850 20 0 EHADRM CCC[C@H](C(=O)[O-])[S@](=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000590900687 1037130024 /nfs/dbraw/zinc/13/00/24/1037130024.db2.gz CSOLWMNZTSTQQT-CFMSYZGJSA-N -1 0 328.739 3.720 20 0 EHADRM O=S(=O)([N-]c1n[nH]c2ccccc21)c1c(Cl)cccc1Cl ZINC000054433188 1037131366 /nfs/dbraw/zinc/13/13/66/1037131366.db2.gz VCQBLRLNCBKGIM-UHFFFAOYSA-N -1 0 342.207 3.671 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccnn1[C@H](C)C1CC1 ZINC000414380067 1037136659 /nfs/dbraw/zinc/13/66/59/1037136659.db2.gz KEGBOIAQPHUIFJ-LLVKDONJSA-N -1 0 339.848 3.617 20 0 EHADRM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2cccc(CC(=O)[O-])c2)C1 ZINC000653644368 1037148745 /nfs/dbraw/zinc/14/87/45/1037148745.db2.gz JBFQUYNOMXOZDM-ACJLOTCBSA-N -1 0 341.382 3.676 20 0 EHADRM CS(=O)(=O)c1ccc(-c2ccc(C3(C(=O)[O-])CCCC3)cc2)cc1 ZINC000573021970 1037159437 /nfs/dbraw/zinc/15/94/37/1037159437.db2.gz PEJCWGSRAYMNSM-UHFFFAOYSA-N -1 0 344.432 3.654 20 0 EHADRM O=C([O-])C1(CC(=O)NCc2cc(F)c(Cl)cc2F)CCCCC1 ZINC000584757546 1037172098 /nfs/dbraw/zinc/17/20/98/1037172098.db2.gz LVJLTLWKKSFQPB-UHFFFAOYSA-N -1 0 345.773 3.660 20 0 EHADRM CC[C@@H]1CCC[C@@H]1NC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666533885 1037206007 /nfs/dbraw/zinc/20/60/07/1037206007.db2.gz BMVFHYCYZQESKS-KDOFPFPSSA-N -1 0 344.455 3.853 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc(F)c3ccccc23)C1 ZINC000327635888 1037248914 /nfs/dbraw/zinc/24/89/14/1037248914.db2.gz QZIUOPKNIACLNN-CYBMUJFWSA-N -1 0 343.398 3.942 20 0 EHADRM CC(=O)Nc1ccc(NC(=O)c2c([O-])cc(Cl)cc2Cl)cc1 ZINC000176933800 1037263097 /nfs/dbraw/zinc/26/30/97/1037263097.db2.gz MUWHDAIAAUDUDN-UHFFFAOYSA-N -1 0 339.178 3.910 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000659120848 1037282246 /nfs/dbraw/zinc/28/22/46/1037282246.db2.gz ZCEHMUISKDZDPJ-UHFFFAOYSA-N -1 0 333.771 3.744 20 0 EHADRM CSc1cc([N-]S(=O)(=O)c2cnn(C(C)C)c2)ccc1Cl ZINC000414392108 1037287397 /nfs/dbraw/zinc/28/73/97/1037287397.db2.gz CTSNCQYSCOQZHS-UHFFFAOYSA-N -1 0 345.877 3.640 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000659119001 1037289609 /nfs/dbraw/zinc/28/96/09/1037289609.db2.gz BCOURQFPNWIHNI-HOCLYGCPSA-N -1 0 327.380 3.742 20 0 EHADRM COc1cc(C(=O)[O-])cc(NC(=O)CC2(C)CCCCC2)c1OC ZINC000659127852 1037317538 /nfs/dbraw/zinc/31/75/38/1037317538.db2.gz JXUYXKNMRSNVFK-UHFFFAOYSA-N -1 0 335.400 3.701 20 0 EHADRM Cc1oc(C(=O)[O-])cc1C(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000659139706 1037356343 /nfs/dbraw/zinc/35/63/43/1037356343.db2.gz GTSGXHNSZDJUNI-UHFFFAOYSA-N -1 0 333.315 3.609 20 0 EHADRM Cc1ccc(C(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)cc1F ZINC000058034373 1037385421 /nfs/dbraw/zinc/38/54/21/1037385421.db2.gz ZZISVLYLNLFBJG-UHFFFAOYSA-N -1 0 345.395 3.756 20 0 EHADRM CC1(C)CC[C@@H]1C(=O)N[C@H](CC(=O)[O-])c1cccc2ccccc21 ZINC000659157484 1037391283 /nfs/dbraw/zinc/39/12/83/1037391283.db2.gz QADWEVZAUWHCSC-IAGOWNOFSA-N -1 0 325.408 3.908 20 0 EHADRM Cc1cccc(C)c1[C@@H]1CCCN1C(=O)Cc1ccccc1C(=O)[O-] ZINC000659166648 1037400529 /nfs/dbraw/zinc/40/05/29/1037400529.db2.gz HSBQQRZSMWKUBA-SFHVURJKSA-N -1 0 337.419 3.908 20 0 EHADRM O=C(C=Cc1ccc(Cl)s1)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000493482188 1037402288 /nfs/dbraw/zinc/40/22/88/1037402288.db2.gz IRBWQJBNSSPSLV-ALCCZGGFSA-N -1 0 346.799 3.544 20 0 EHADRM COc1cccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C(C)C)cc2)c1 ZINC000539956785 1037403991 /nfs/dbraw/zinc/40/39/91/1037403991.db2.gz JDBXLXDDUYUERG-GOSISDBHSA-N -1 0 341.407 3.764 20 0 EHADRM Cc1cccc(C)c1[C@@H]1CCCN1C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000659168286 1037410302 /nfs/dbraw/zinc/41/03/02/1037410302.db2.gz UWXBLTIDKYZJEB-BBWFWOEESA-N -1 0 329.440 3.858 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2ccccc2SCC)n1 ZINC000659189349 1037442942 /nfs/dbraw/zinc/44/29/42/1037442942.db2.gz YPAGSBIVHJHLQD-CYBMUJFWSA-N -1 0 347.440 3.673 20 0 EHADRM CCC[C@@H](C(=O)Nc1ccn([C@@H](CCC)C(=O)[O-])n1)c1ccccc1 ZINC000659186674 1037449399 /nfs/dbraw/zinc/44/93/99/1037449399.db2.gz ZUJHYKZHQKBBIW-CVEARBPZSA-N -1 0 343.427 3.831 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2ccccc2C(C)(C)C)n1 ZINC000659187535 1037450645 /nfs/dbraw/zinc/45/06/45/1037450645.db2.gz QTWVAHQWMQROGC-HNNXBMFYSA-N -1 0 343.427 3.859 20 0 EHADRM CC(C)c1cccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)c1 ZINC000659193338 1037461417 /nfs/dbraw/zinc/46/14/17/1037461417.db2.gz PQPKOFMLXUWJML-SQNIBIBYSA-N -1 0 329.440 3.916 20 0 EHADRM COc1ccc(NC(=O)c2sc(CC(C)C)nc2C)c(C(=O)[O-])c1 ZINC000342551870 1037463086 /nfs/dbraw/zinc/46/30/86/1037463086.db2.gz XPNQVPUMNCISHI-UHFFFAOYSA-N -1 0 348.424 3.609 20 0 EHADRM CC(C)(CCCc1ccccc1)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC000659212059 1037482918 /nfs/dbraw/zinc/48/29/18/1037482918.db2.gz VJGAKEDTZDAXCZ-QGZVFWFLSA-N -1 0 331.456 3.653 20 0 EHADRM C[C@@H](Sc1ccccc1C(=O)N1CCC[C@H](C2CCC2)C1)C(=O)[O-] ZINC000659227569 1037534288 /nfs/dbraw/zinc/53/42/88/1037534288.db2.gz LQHAVESFMGBFDY-HIFRSBDPSA-N -1 0 347.480 3.904 20 0 EHADRM C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000659239920 1037560839 /nfs/dbraw/zinc/56/08/39/1037560839.db2.gz PECHGMFLXGEULN-YLJYHZDGSA-N -1 0 336.391 3.694 20 0 EHADRM COc1ccc2sc(C(=O)N[C@H]3CCC[C@@]3(C)C(=O)[O-])c(C)c2c1 ZINC000659239240 1037563490 /nfs/dbraw/zinc/56/34/90/1037563490.db2.gz ZKHKCDIRUOYVKZ-KBXCAEBGSA-N -1 0 347.436 3.592 20 0 EHADRM Cc1oc(-c2ccccc2)c(C(=O)N[C@H]2CCC[C@]2(C)C(=O)[O-])c1C ZINC000659243999 1037573189 /nfs/dbraw/zinc/57/31/89/1037573189.db2.gz YFLICTFIGNGYPR-YWZLYKJASA-N -1 0 341.407 3.937 20 0 EHADRM Cc1cc2c(c(C)c1)NC(=O)C2=N[N-]c1oc(C(C)(C)C)nc1C#N ZINC000058204508 1037602756 /nfs/dbraw/zinc/60/27/56/1037602756.db2.gz OBLYVNALUVUPQK-UHFFFAOYSA-N -1 0 337.383 3.878 20 0 EHADRM CCN(CC(C)(C)C)C(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC000462995092 1037629973 /nfs/dbraw/zinc/62/99/73/1037629973.db2.gz WLRIJGQNZGALJB-UHFFFAOYSA-N -1 0 333.407 3.534 20 0 EHADRM CCCC[C@@H]1CCC[C@H]1NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000172760423 1037635484 /nfs/dbraw/zinc/63/54/84/1037635484.db2.gz YKBORLGWYFRUEK-NVXWUHKLSA-N -1 0 341.455 3.563 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)N1CCCCC[C@H]1c1ccccc1 ZINC000532561873 1037647050 /nfs/dbraw/zinc/64/70/50/1037647050.db2.gz MSRXYAPIDMOLCK-SFHVURJKSA-N -1 0 336.439 3.925 20 0 EHADRM O=S(=O)([N-]c1ccc2c(n1)CCC2)c1cc(Cl)sc1Cl ZINC000573655205 1037672330 /nfs/dbraw/zinc/67/23/30/1037672330.db2.gz WBURDMVGZUUAPW-UHFFFAOYSA-N -1 0 349.264 3.739 20 0 EHADRM Cc1cc(C)cc(-c2noc(C(=O)[N-]c3c(F)cccc3F)n2)c1 ZINC001212170468 1037761547 /nfs/dbraw/zinc/76/15/47/1037761547.db2.gz BOLVUNPFFUYHOA-UHFFFAOYSA-N -1 0 329.306 3.884 20 0 EHADRM Cc1c(F)cccc1-c1noc(C(=O)[N-]c2c(F)cccc2F)n1 ZINC001212170481 1037764308 /nfs/dbraw/zinc/76/43/08/1037764308.db2.gz CHOKNCMVJPULDC-UHFFFAOYSA-N -1 0 333.269 3.715 20 0 EHADRM CSc1cccc([N-]S(=O)(=O)c2cc(F)ccc2F)c1C ZINC000540292293 1037789411 /nfs/dbraw/zinc/78/94/11/1037789411.db2.gz NGYUAPAJJWJFPQ-UHFFFAOYSA-N -1 0 329.393 3.796 20 0 EHADRM CC(C)C[C@@H](C(=O)NC[C@@H](C)CC(=O)[O-])c1ccc(Cl)cc1 ZINC000659144469 1037917360 /nfs/dbraw/zinc/91/73/60/1037917360.db2.gz HRQJQDRZGIWUBO-SWLSCSKDSA-N -1 0 325.836 3.697 20 0 EHADRM Cc1cccc(S(=O)(=O)[N-]c2cnc(C(C)(C)C)nc2)c1Cl ZINC000179982256 1037997590 /nfs/dbraw/zinc/99/75/90/1037997590.db2.gz NXFNHVLNDCFOJP-UHFFFAOYSA-N -1 0 339.848 3.537 20 0 EHADRM Cc1c2ccccc2oc1[C@H](C)[N-]S(=O)(=O)[C@@H](C)C(F)(F)F ZINC000184264622 1038021806 /nfs/dbraw/zinc/02/18/06/1038021806.db2.gz UNIAONLGIJMTJJ-UWVGGRQHSA-N -1 0 335.347 3.672 20 0 EHADRM CN1C(=O)CCc2cc(NC(=O)Nc3ccc(O)c(Cl)c3)ccc21 ZINC000190961899 1038024395 /nfs/dbraw/zinc/02/43/95/1038024395.db2.gz MIJIEXVUWSSDIU-UHFFFAOYSA-N -1 0 345.786 3.599 20 0 EHADRM C[C@@H]1CCC[C@H](C)N1C(=O)c1cc(F)cc(Br)c1[O-] ZINC000416150150 1038229927 /nfs/dbraw/zinc/22/99/27/1038229927.db2.gz JBHWVOBFTYZMDZ-DTORHVGOSA-N -1 0 330.197 3.697 20 0 EHADRM C[C@H](C(=O)N[C@@H](CC(=O)[O-])C1CCCCC1)c1cccc(Cl)c1 ZINC000538504761 1038348097 /nfs/dbraw/zinc/34/80/97/1038348097.db2.gz OOHCFQVWMDBOOV-LRDDRELGSA-N -1 0 337.847 3.983 20 0 EHADRM O=C(Nc1cccc2c1CN(c1ccccn1)C2)c1ccccc1O ZINC000378275499 1038363482 /nfs/dbraw/zinc/36/34/82/1038363482.db2.gz HLYJLWSQEGDJPE-UHFFFAOYSA-N -1 0 331.375 3.560 20 0 EHADRM CC[C@H](NC(=O)Cc1cccc(C(=O)[O-])c1)C(C)(C)c1ccccc1 ZINC000538576118 1038399055 /nfs/dbraw/zinc/39/90/55/1038399055.db2.gz DMTANKDXWSYARS-SFHVURJKSA-N -1 0 339.435 3.800 20 0 EHADRM CC(C)(C)Cc1n[n-]c(=NCc2cc(Cl)ccc2OC(F)F)o1 ZINC000538592724 1038406054 /nfs/dbraw/zinc/40/60/54/1038406054.db2.gz MNINWOAHVRYTQK-UHFFFAOYSA-N -1 0 345.777 3.947 20 0 EHADRM Cc1ccc2ncc(CN=c3[n-]nc(C[C@@H](C)CC(C)(C)C)o3)n2c1 ZINC000538593421 1038423370 /nfs/dbraw/zinc/42/33/70/1038423370.db2.gz RJXUEKDSODMQRL-CQSZACIVSA-N -1 0 341.459 3.675 20 0 EHADRM CCC(CC)c1n[n-]c(=NCc2cnc(-c3ccccc3)nc2)s1 ZINC000538608854 1038435715 /nfs/dbraw/zinc/43/57/15/1038435715.db2.gz JIHDCCWYNLTSAD-UHFFFAOYSA-N -1 0 339.468 3.933 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N[C@H]2c3ccccc3CC[C@H]2C)s1 ZINC000538702489 1038477702 /nfs/dbraw/zinc/47/77/02/1038477702.db2.gz PVZHTEIVPNIOSS-ZWNOBZJWSA-N -1 0 348.497 3.517 20 0 EHADRM CCCc1nc(=NCc2ccc(Oc3cccnc3)c(F)c2)s[n-]1 ZINC000461781328 1038607842 /nfs/dbraw/zinc/60/78/42/1038607842.db2.gz RXAYTAFVGIFJIX-UHFFFAOYSA-N -1 0 344.415 3.851 20 0 EHADRM Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1O ZINC000387833613 1038631220 /nfs/dbraw/zinc/63/12/20/1038631220.db2.gz ZTVUZTKPFDXCSO-UHFFFAOYSA-N -1 0 337.828 3.644 20 0 EHADRM Cc1c([N-]S(=O)(=O)c2cccc(F)c2C)[nH]nc1-c1ccccc1 ZINC000539110277 1038689467 /nfs/dbraw/zinc/68/94/67/1038689467.db2.gz FVWOBTCRRSGINY-UHFFFAOYSA-N -1 0 345.399 3.633 20 0 EHADRM COc1ccnc2c([N-]S(=O)(=O)c3cc(C)c(C)s3)cccc12 ZINC000539112296 1038690451 /nfs/dbraw/zinc/69/04/51/1038690451.db2.gz SNSNLCRICZRBHR-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM CC[C@@](C)(NS(=O)(=O)c1csc2ccccc21)C(F)(F)F ZINC000552033998 1038750570 /nfs/dbraw/zinc/75/05/70/1038750570.db2.gz FALOWQZHKZXMHV-GFCCVEGCSA-N -1 0 337.388 3.911 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000910245226 1038783429 /nfs/dbraw/zinc/78/34/29/1038783429.db2.gz ZDRYRVYGHNCWOH-VNQPRFMTSA-N -1 0 335.831 3.547 20 0 EHADRM C[C@H]1Cc2c[nH]nc2[C@H](C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)C1 ZINC000910244900 1038784790 /nfs/dbraw/zinc/78/47/90/1038784790.db2.gz IJKPLVXSPWNUPF-MEDUHNTESA-N -1 0 349.390 3.566 20 0 EHADRM Cc1ccc(SC[C@@H](C)NC(=O)C23CCC(C(=O)[O-])(CC2)C3)cc1 ZINC000910250193 1038788870 /nfs/dbraw/zinc/78/88/70/1038788870.db2.gz CTOYSKVTBQPLNQ-FTXHTYHOSA-N -1 0 347.480 3.627 20 0 EHADRM Cc1ccccc1NCCC(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000910301814 1038817363 /nfs/dbraw/zinc/81/73/63/1038817363.db2.gz YVRWLLWILICIOV-DLBZAZTESA-N -1 0 338.407 3.624 20 0 EHADRM CCC(CC)n1ccc(CN[C@@H](C(=O)[O-])c2cccc(C)c2C)n1 ZINC000905400324 1038860077 /nfs/dbraw/zinc/86/00/77/1038860077.db2.gz LQTAHHAOHFJINL-GOSISDBHSA-N -1 0 329.444 3.777 20 0 EHADRM CC(C)c1cnc(CN[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)o1 ZINC000905403659 1038860743 /nfs/dbraw/zinc/86/07/43/1038860743.db2.gz PVFBFJRUYMGZKQ-CQSZACIVSA-N -1 0 342.317 3.732 20 0 EHADRM Cc1cc(C(=O)[O-])oc1C(=O)N1CCCSC[C@@H]1c1ccccc1 ZINC000910513496 1038941192 /nfs/dbraw/zinc/94/11/92/1038941192.db2.gz PKJQHHFSVFNCFS-CQSZACIVSA-N -1 0 345.420 3.607 20 0 EHADRM C[C@H]1c2sccc2CCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000910505273 1038952538 /nfs/dbraw/zinc/95/25/38/1038952538.db2.gz ZBUQPUOBZIVPKK-LBPRGKRZSA-N -1 0 329.421 3.525 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C1CCC(C(F)(F)F)CC1)C1CCCC1 ZINC000910568001 1038968881 /nfs/dbraw/zinc/96/88/81/1038968881.db2.gz OZMLAHCOTKKXRK-WXRRBKDZSA-N -1 0 335.366 3.505 20 0 EHADRM C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])C1CCCC1)c1c[nH]c2ccccc21 ZINC000910559679 1038977469 /nfs/dbraw/zinc/97/74/69/1038977469.db2.gz LJFFSRDEXIXMTC-UGSOOPFHSA-N -1 0 342.439 3.811 20 0 EHADRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(C(C)C)nc1 ZINC000910621880 1038989998 /nfs/dbraw/zinc/98/99/98/1038989998.db2.gz NNEBODOHYUMKDU-UHFFFAOYSA-N -1 0 328.368 3.554 20 0 EHADRM CC[C@@H](C)n1ncc(NC(=O)Cc2cccc(C(=O)[O-])c2)c1C1CC1 ZINC000910648892 1039002655 /nfs/dbraw/zinc/00/26/55/1039002655.db2.gz NSDBEEFIWCCVNW-GFCCVEGCSA-N -1 0 341.411 3.611 20 0 EHADRM CC1(C)CC[C@@H]1C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000910703795 1039028309 /nfs/dbraw/zinc/02/83/09/1039028309.db2.gz ZPGQBFQOQKYPBD-SNVBAGLBSA-N -1 0 326.190 3.522 20 0 EHADRM Cc1ccc(CC(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)cc1C ZINC000910733418 1039042076 /nfs/dbraw/zinc/04/20/76/1039042076.db2.gz PYAWYAFCOXBZSR-UHFFFAOYSA-N -1 0 330.409 3.517 20 0 EHADRM O=C([O-])c1nc(NC(=O)c2cc(Cl)c(Cl)[nH]2)sc1C1CC1 ZINC000910735416 1039044142 /nfs/dbraw/zinc/04/41/42/1039044142.db2.gz JWBNBBSRVZSSID-UHFFFAOYSA-N -1 0 346.195 3.606 20 0 EHADRM O=S(=O)([N-]c1nc2c(s1)CCCCCC2)c1ccc(F)cc1 ZINC000195638781 1039060789 /nfs/dbraw/zinc/06/07/89/1039060789.db2.gz ZNJGVAIALPSRLV-UHFFFAOYSA-N -1 0 340.445 3.742 20 0 EHADRM C[C@@H](Oc1ccc(CN[C@@H](C)c2c(F)cccc2F)cc1)C(=O)[O-] ZINC000905728379 1039065171 /nfs/dbraw/zinc/06/51/71/1039065171.db2.gz RQYXQAFRFXOQAN-NWDGAFQWSA-N -1 0 335.350 3.668 20 0 EHADRM CC(C)Oc1ccc(C(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC000325358740 1039069346 /nfs/dbraw/zinc/06/93/46/1039069346.db2.gz GYZVNBGBWYFJJD-UHFFFAOYSA-N -1 0 327.380 3.743 20 0 EHADRM C[C@H](C1CC1)n1cc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)cn1 ZINC000488324920 1039104086 /nfs/dbraw/zinc/10/40/86/1039104086.db2.gz DQNLXUFGBCIUJR-CYBMUJFWSA-N -1 0 347.484 3.952 20 0 EHADRM Cc1cc(S(=O)(=O)Nc2cc(C)cnc2Cl)sc1Cl ZINC000235954223 1039124826 /nfs/dbraw/zinc/12/48/26/1039124826.db2.gz MTDCBQFWNQKIHR-UHFFFAOYSA-N -1 0 337.253 3.868 20 0 EHADRM CCc1cc(C(=O)[O-])ccc1NC(=O)C[C@H]1CCO[C@H](C(C)C)C1 ZINC000910959612 1039160921 /nfs/dbraw/zinc/16/09/21/1039160921.db2.gz SOTKFTUYNNIGPY-GUYCJALGSA-N -1 0 333.428 3.727 20 0 EHADRM Cc1ncc(C(=O)[O-])cc1C(=O)Nc1ccccc1COC(C)(C)C ZINC000910944959 1039166801 /nfs/dbraw/zinc/16/68/01/1039166801.db2.gz QHZFQRTXTQTZFZ-UHFFFAOYSA-N -1 0 342.395 3.656 20 0 EHADRM CSc1ccc(NC(=O)C2([C@H]3CCCCO3)CCC2)cc1C(=O)[O-] ZINC000910943438 1039168088 /nfs/dbraw/zinc/16/80/88/1039168088.db2.gz CLMWYWVATRYSAS-OAHLLOKOSA-N -1 0 349.452 3.785 20 0 EHADRM CC1(C)CCC(CC(=O)N2CCC(C(=O)[O-])(C(F)(F)F)CC2)CC1 ZINC000911017622 1039187804 /nfs/dbraw/zinc/18/78/04/1039187804.db2.gz LGBXKUVSFXPAQC-UHFFFAOYSA-N -1 0 349.393 3.849 20 0 EHADRM CCCc1ccc(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)CC2)s1 ZINC000911025132 1039192493 /nfs/dbraw/zinc/19/24/93/1039192493.db2.gz NZYJLCQVUHSLRS-UHFFFAOYSA-N -1 0 349.374 3.570 20 0 EHADRM CCCc1ccc(C(=O)N2CCC(C(=O)[O-])(C(F)(F)F)CC2)cc1 ZINC000911015337 1039200646 /nfs/dbraw/zinc/20/06/46/1039200646.db2.gz RMGDQVSUMGNJSI-UHFFFAOYSA-N -1 0 343.345 3.508 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)N[C@H]2CCSC3(CCC3)C2)c1 ZINC000911014547 1039201439 /nfs/dbraw/zinc/20/14/39/1039201439.db2.gz SUDMSQYECFIXDH-NSHDSACASA-N -1 0 339.844 3.586 20 0 EHADRM CC(C)(C)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000236588772 1039223382 /nfs/dbraw/zinc/22/33/82/1039223382.db2.gz YLQKLUNCNXUOBB-LBPRGKRZSA-N -1 0 342.233 3.517 20 0 EHADRM Cc1ccc2c(ccc(C)c2C(=O)N[C@@H](CC(=O)[O-])C(F)(F)F)c1 ZINC000911157755 1039263076 /nfs/dbraw/zinc/26/30/76/1039263076.db2.gz VGVRKQBSSOHIRG-ZDUSSCGKSA-N -1 0 339.313 3.592 20 0 EHADRM O=C([N-]Oc1ccc(F)cc1)C1(c2cccnc2)CC2(CCC2)C1 ZINC000898577189 1039273687 /nfs/dbraw/zinc/27/36/87/1039273687.db2.gz XQRSBXPTZYQHGM-UHFFFAOYSA-N -1 0 326.371 3.533 20 0 EHADRM COc1ccc(Nc2ccc(C(=O)[O-])c(C)c2)c(Br)n1 ZINC001211652766 1039286191 /nfs/dbraw/zinc/28/61/91/1039286191.db2.gz OTBKUISKPUSWIH-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM Cc1ccc(C(=O)N2CCCCC[C@@H]2c2ccncc2)cc1C(=O)[O-] ZINC000911235075 1039304188 /nfs/dbraw/zinc/30/41/88/1039304188.db2.gz WQHCLYGDIGFVTE-GOSISDBHSA-N -1 0 338.407 3.846 20 0 EHADRM Cc1cccc(CN(C)C(=O)N=c2nc(C(C)(C)C)[n-]s2)c1C ZINC000432808412 1039304691 /nfs/dbraw/zinc/30/46/91/1039304691.db2.gz ICBHKRCACPVENK-UHFFFAOYSA-N -1 0 332.473 3.538 20 0 EHADRM Cc1ccnc(Br)c1Nc1cc(F)c(F)c(C(=O)[O-])c1 ZINC001215457358 1039314383 /nfs/dbraw/zinc/31/43/83/1039314383.db2.gz BHFBQHOTJDBFPS-UHFFFAOYSA-N -1 0 343.127 3.873 20 0 EHADRM CN(C(=O)N=c1[n-]nc(-c2cc3ccccc3o2)s1)[C@@H]1CC1(C)C ZINC000488705489 1039341101 /nfs/dbraw/zinc/34/11/01/1039341101.db2.gz VYOGHOIHFKVTIE-CYBMUJFWSA-N -1 0 342.424 3.635 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@H](C(=O)[O-])C1 ZINC000326169602 1039353830 /nfs/dbraw/zinc/35/38/30/1039353830.db2.gz GSWYJJXQDFSQRB-PELKAZGASA-N -1 0 348.296 3.562 20 0 EHADRM Cc1cc(F)ccc1[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])c(C)n1 ZINC000911398777 1039354103 /nfs/dbraw/zinc/35/41/03/1039354103.db2.gz LDKHBLLSGGOQGY-QGZVFWFLSA-N -1 0 342.370 3.513 20 0 EHADRM CCN(C(=O)c1nn(-c2ccccc2)cc1[O-])c1cc(C)cc(C)c1 ZINC000485653801 1039357540 /nfs/dbraw/zinc/35/75/40/1039357540.db2.gz HLNMDVVNIUDAGD-UHFFFAOYSA-N -1 0 335.407 3.861 20 0 EHADRM Cc1ccc(-c2ncco2)cc1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000364008402 1039364143 /nfs/dbraw/zinc/36/41/43/1039364143.db2.gz ZBPHPGRCZQRPHK-UHFFFAOYSA-N -1 0 330.290 3.886 20 0 EHADRM C[C@@H](CCC(=O)[O-])NC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F ZINC000237522548 1039380293 /nfs/dbraw/zinc/38/02/93/1039380293.db2.gz YUSMHNPPVQVVKF-RILYUOAZSA-N -1 0 349.736 3.655 20 0 EHADRM Cc1ccsc1[C@H]1C[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccccc1C ZINC000237656674 1039404116 /nfs/dbraw/zinc/40/41/16/1039404116.db2.gz HMIRIPHUZHWFDM-XHSDSOJGSA-N -1 0 343.448 3.801 20 0 EHADRM CC(C)n1cc(-c2ccc(OCC(F)(F)F)cc2F)c(C(=O)[O-])n1 ZINC000906246404 1039406712 /nfs/dbraw/zinc/40/67/12/1039406712.db2.gz BXCGNHAAMFSTRM-UHFFFAOYSA-N -1 0 346.280 3.909 20 0 EHADRM COC[C@@H](C)Oc1cccc(-c2ccc([C@@H](OC)C(=O)[O-])s2)c1 ZINC000906244609 1039406902 /nfs/dbraw/zinc/40/69/02/1039406902.db2.gz YXTOSXPTEUEZOZ-BDJLRTHQSA-N -1 0 336.409 3.601 20 0 EHADRM CCCCCc1nnc([N-]S(=O)(=O)Cc2ccccc2C)s1 ZINC000186602148 1039412765 /nfs/dbraw/zinc/41/27/65/1039412765.db2.gz HENRHWZZNBDJFM-UHFFFAOYSA-N -1 0 339.486 3.521 20 0 EHADRM O=C([O-])c1cc(O)cc(-c2cc(F)ccc2OCC2CCOCC2)c1 ZINC000906240675 1039424438 /nfs/dbraw/zinc/42/44/38/1039424438.db2.gz NQBGCSMALJQHLU-UHFFFAOYSA-N -1 0 346.354 3.702 20 0 EHADRM COc1ccccc1C(C)(C)C(=O)Nc1cc(C(=O)[O-])c(C)cc1F ZINC000911680725 1039454926 /nfs/dbraw/zinc/45/49/26/1039454926.db2.gz FPFNTNDLXDLFLV-UHFFFAOYSA-N -1 0 345.370 3.757 20 0 EHADRM Cc1cc(F)c(NC(=O)[C@@H](c2cccnc2)C(C)C)cc1C(=O)[O-] ZINC000911686662 1039459833 /nfs/dbraw/zinc/45/98/33/1039459833.db2.gz NXXBJWQBGHMVHF-MRXNPFEDSA-N -1 0 330.359 3.606 20 0 EHADRM COc1ccc2c(c1)[C@H](C(=O)Nc1cc(C(=O)[O-])c(C)cc1F)CC2 ZINC000911685668 1039460419 /nfs/dbraw/zinc/46/04/19/1039460419.db2.gz CTZKRGCLNHQWRO-CYBMUJFWSA-N -1 0 343.354 3.509 20 0 EHADRM Cc1cc(F)c(NC(=O)[C@H]2CCCc3c(O)cccc32)cc1C(=O)[O-] ZINC000911690139 1039462612 /nfs/dbraw/zinc/46/26/12/1039462612.db2.gz XCQSLEFNFGDRIH-ZDUSSCGKSA-N -1 0 343.354 3.597 20 0 EHADRM Cc1cc(F)c(NC(=O)c2noc3c2CC(C)(C)CC3)cc1C(=O)[O-] ZINC000911689838 1039463258 /nfs/dbraw/zinc/46/32/58/1039463258.db2.gz UWXCRUGVBFNXSU-UHFFFAOYSA-N -1 0 346.358 3.588 20 0 EHADRM CC(C)Oc1c(NC(=O)C[C@H](C)n2cccc2)cccc1C(=O)[O-] ZINC000911738806 1039482166 /nfs/dbraw/zinc/48/21/66/1039482166.db2.gz IISIDZLRJWKPLY-ZDUSSCGKSA-N -1 0 330.384 3.563 20 0 EHADRM O=C([O-])CCCCCCNC(=O)Cc1coc2cc3c(cc12)CCC3 ZINC000238118251 1039494593 /nfs/dbraw/zinc/49/45/93/1039494593.db2.gz CVRFPQTUCBMRKP-UHFFFAOYSA-N -1 0 343.423 3.615 20 0 EHADRM CC(C)C[C@@H](NC(=O)N[C@@H](C)c1cc2ccccc2s1)C(=O)[O-] ZINC000554602982 1039513090 /nfs/dbraw/zinc/51/30/90/1039513090.db2.gz CYLQGJKGEINQQD-WCQYABFASA-N -1 0 334.441 3.761 20 0 EHADRM C[C@H]1COCC[C@@H]1N=c1[n-]nc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000432857588 1039550530 /nfs/dbraw/zinc/55/05/30/1039550530.db2.gz FIKGFXOUGMYUPR-UFBFGSQYSA-N -1 0 344.267 3.771 20 0 EHADRM O=C(N=c1ccc(C2CC2)n[n-]1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000489033875 1039569757 /nfs/dbraw/zinc/56/97/57/1039569757.db2.gz BVDUTEDXIYYDEA-UHFFFAOYSA-N -1 0 341.720 3.700 20 0 EHADRM COC1CCC(C)(CN=c2[n-]nc(Cc3ccccc3)s2)CC1 ZINC000480499493 1039600444 /nfs/dbraw/zinc/60/04/44/1039600444.db2.gz LYWDYOYILGPJPZ-UHFFFAOYSA-N -1 0 331.485 3.558 20 0 EHADRM O=C([O-])c1ccccc1CNC(=O)N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000898853994 1039610209 /nfs/dbraw/zinc/61/02/09/1039610209.db2.gz UTBKSLAHTBEFRY-KSSFIOAISA-N -1 0 336.391 3.529 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2c(F)cccc2Cl)c(C)cc1C ZINC000478679591 1039630834 /nfs/dbraw/zinc/63/08/34/1039630834.db2.gz DHMDAYNCYXQGNZ-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM CC[C@H](NC(=O)N1CCC(C(=O)[O-])CC1)c1cccc2ccccc21 ZINC000898868131 1039639815 /nfs/dbraw/zinc/63/98/15/1039639815.db2.gz ANGQLNHGORLCHX-SFHVURJKSA-N -1 0 340.423 3.797 20 0 EHADRM c1cc(-c2n[n-]c(=NC3CCC(c4ccccc4)CC3)s2)no1 ZINC000552975259 1039682107 /nfs/dbraw/zinc/68/21/07/1039682107.db2.gz WPXJWPFPODRUJU-UHFFFAOYSA-N -1 0 326.425 3.753 20 0 EHADRM O=C([O-])[C@H](CNC(=O)CC/C=C\c1ccccc1)Cc1ccccc1 ZINC000485925721 1039699981 /nfs/dbraw/zinc/69/99/81/1039699981.db2.gz OPBLMZCJEQJPFK-ABMFHFBKSA-N -1 0 337.419 3.540 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)c1cccc(C(C)C)c1 ZINC000063182010 1039704678 /nfs/dbraw/zinc/70/46/78/1039704678.db2.gz SSPSBQHUHWAGAR-UHFFFAOYSA-N -1 0 347.436 3.642 20 0 EHADRM C[C@@](CC(=O)N1CCC[C@H]1c1ccsc1)(C(=O)[O-])c1ccccc1 ZINC000324586513 1039709720 /nfs/dbraw/zinc/70/97/20/1039709720.db2.gz CKGFAPNZGRFZRB-LPHOPBHVSA-N -1 0 343.448 3.844 20 0 EHADRM O=c1cc(C=Cc2cc(F)cc(Cl)c2)nc(-c2ccncc2)[nH]1 ZINC000485980606 1039746925 /nfs/dbraw/zinc/74/69/25/1039746925.db2.gz RWVHWQAIIMVUNQ-OWOJBTEDSA-N -1 0 327.746 3.795 20 0 EHADRM Cc1ccc(C(C)(C)CC(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1 ZINC000478870874 1039774675 /nfs/dbraw/zinc/77/46/75/1039774675.db2.gz TUYHAUQEZREFCQ-NJAFHUGGSA-N -1 0 343.467 3.907 20 0 EHADRM O=C(NCc1ccc(Cl)cc1Cl)c1s[n-]c(=O)c1Cl ZINC000549760305 1039811254 /nfs/dbraw/zinc/81/12/54/1039811254.db2.gz UXPDLNPZJBNJRZ-UHFFFAOYSA-N -1 0 337.615 3.739 20 0 EHADRM O=C([O-])c1cnc(/C=C/c2cc(F)ccc2Br)s1 ZINC000534143595 1039840978 /nfs/dbraw/zinc/84/09/78/1039840978.db2.gz CORVJZRXJGDYIV-DAFODLJHSA-N -1 0 328.162 3.913 20 0 EHADRM CC(C)OCCOCc1cccc(N=c2nc(C(C)(C)C)[n-]s2)c1 ZINC000489363244 1039881142 /nfs/dbraw/zinc/88/11/42/1039881142.db2.gz VBQOHKKKBZIGKZ-UHFFFAOYSA-N -1 0 349.500 3.943 20 0 EHADRM CCc1nc2ccccc2c(C(=O)NCc2ccc(O)c(F)c2)c1C ZINC000549808276 1039943469 /nfs/dbraw/zinc/94/34/69/1039943469.db2.gz YRZARHLFUUTEEM-UHFFFAOYSA-N -1 0 338.382 3.880 20 0 EHADRM O=C([O-])C[C@@H](NCc1ncc(C(F)(F)F)s1)c1ccsc1 ZINC000417533519 1039955188 /nfs/dbraw/zinc/95/51/88/1039955188.db2.gz MVVFYZLBEAPGCW-MRVPVSSYSA-N -1 0 336.360 3.529 20 0 EHADRM O=C([O-])C[C@H](NCc1ncc(C(F)(F)F)s1)c1ccsc1 ZINC000417533520 1039956083 /nfs/dbraw/zinc/95/60/83/1039956083.db2.gz MVVFYZLBEAPGCW-QMMMGPOBSA-N -1 0 336.360 3.529 20 0 EHADRM C[C@H](N=c1[n-]c(-c2cccc(Cl)c2)no1)c1c(F)cncc1F ZINC000553368197 1040014290 /nfs/dbraw/zinc/01/42/90/1040014290.db2.gz VTWZLRZSSIVVOK-QMMMGPOBSA-N -1 0 336.729 3.658 20 0 EHADRM O=C([O-])[C@H](NCc1cnc(C2CCC2)s1)c1c(F)cccc1F ZINC000417568564 1040020210 /nfs/dbraw/zinc/02/02/10/1040020210.db2.gz UEGHBKDMJXDIGQ-CQSZACIVSA-N -1 0 338.379 3.604 20 0 EHADRM Cc1cnc(CN[C@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)s1 ZINC000417589915 1040041414 /nfs/dbraw/zinc/04/14/14/1040041414.db2.gz QRNSASOWSRKVMO-GFCCVEGCSA-N -1 0 344.358 3.776 20 0 EHADRM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)c1ccccc1 ZINC000553435325 1040060193 /nfs/dbraw/zinc/06/01/93/1040060193.db2.gz SNGLMGJYWPYNLC-JTQLQIEISA-N -1 0 345.798 3.700 20 0 EHADRM CC(C)=CCSC[C@H](NCc1cnc(C(C)C)s1)C(=O)[O-] ZINC000417621811 1040072416 /nfs/dbraw/zinc/07/24/16/1040072416.db2.gz GDYATWWOFCUQGA-ZDUSSCGKSA-N -1 0 328.503 3.509 20 0 EHADRM CC(=O)c1ccc([O-])c(NC(=O)COc2cccc(C(C)C)c2)c1 ZINC000512553518 1040082445 /nfs/dbraw/zinc/08/24/45/1040082445.db2.gz FLZLPILEFFQSLM-UHFFFAOYSA-N -1 0 327.380 3.736 20 0 EHADRM CC(C)[C@H](C)CC(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000486368195 1040094794 /nfs/dbraw/zinc/09/47/94/1040094794.db2.gz HPNMXNDWHFLQQU-QAPCUYQASA-N -1 0 341.451 3.882 20 0 EHADRM COc1ccc(CC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c(C)c1 ZINC000907596958 1040103073 /nfs/dbraw/zinc/10/30/73/1040103073.db2.gz JWWZIZTVSGHCLN-UHFFFAOYSA-N -1 0 341.407 3.547 20 0 EHADRM COc1cccc(CNc2ccc(C(C)(C)C(=O)[O-])cc2)c1OC ZINC000417627886 1040105129 /nfs/dbraw/zinc/10/51/29/1040105129.db2.gz PWZLZIOUKUETNT-UHFFFAOYSA-N -1 0 329.396 3.678 20 0 EHADRM CC(C)(C)c1nc(CNCc2cc(F)c(C(=O)[O-])c(F)c2)cs1 ZINC000417650103 1040111457 /nfs/dbraw/zinc/11/14/57/1040111457.db2.gz UDTSHQPXJAJPSF-UHFFFAOYSA-N -1 0 340.395 3.707 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(Cl)c3occc32)C1 ZINC000907660148 1040122318 /nfs/dbraw/zinc/12/23/18/1040122318.db2.gz VXXKVRXSRGUYMZ-KRWDZBQOSA-N -1 0 335.787 3.659 20 0 EHADRM Cc1cc(OCc2ccccc2)ccc1NC(=O)[C@H](C(=O)[O-])C(C)C ZINC000575320150 1040123504 /nfs/dbraw/zinc/12/35/04/1040123504.db2.gz MPPWTYXODUMMBE-GOSISDBHSA-N -1 0 341.407 3.869 20 0 EHADRM COc1cccc(OC)c1CNc1ccc(S[C@H](C)C(=O)[O-])cc1 ZINC000417662334 1040129901 /nfs/dbraw/zinc/12/99/01/1040129901.db2.gz UKPCSWKUTHHDKD-GFCCVEGCSA-N -1 0 347.436 3.881 20 0 EHADRM CCC[C@H](C(=O)[O-])n1ccc(NC(=O)c2cc(C(C)(C)C)oc2C)n1 ZINC000907705684 1040135429 /nfs/dbraw/zinc/13/54/29/1040135429.db2.gz YYUVTPMAWSOPGM-CYBMUJFWSA-N -1 0 347.415 3.760 20 0 EHADRM CC[C@@H]1[C@H](C)CCN1C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000479423444 1040212699 /nfs/dbraw/zinc/21/26/99/1040212699.db2.gz PNLPSIJQEXVTER-RHSMWYFYSA-N -1 0 341.455 3.962 20 0 EHADRM c1cc(-c2n[n-]c(=N[C@H]3CCC[C@H](c4ccccc4)C3)s2)no1 ZINC000553580726 1040213968 /nfs/dbraw/zinc/21/39/68/1040213968.db2.gz SIFOVRVLHCSTLP-KBPBESRZSA-N -1 0 326.425 3.753 20 0 EHADRM C[C@@H](CN=c1nc(C(F)(F)F)[n-]s1)Oc1ccc(Cl)cc1 ZINC000553582933 1040217819 /nfs/dbraw/zinc/21/78/19/1040217819.db2.gz NZQAQGJHSHZJNR-ZETCQYMHSA-N -1 0 337.754 3.512 20 0 EHADRM CCC[C@H](C(=O)N[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@H]12)c1ccc(Cl)cc1 ZINC000907951617 1040245568 /nfs/dbraw/zinc/24/55/68/1040245568.db2.gz DQOGVJHUMANQNK-XPYWIHLFSA-N -1 0 349.858 3.839 20 0 EHADRM CCC(C)(C)c1ccc(C(=O)N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@H]23)cc1 ZINC000907958300 1040247387 /nfs/dbraw/zinc/24/73/87/1040247387.db2.gz VLEJGMPLCCFSGD-HDEZJCGLSA-N -1 0 329.440 3.603 20 0 EHADRM O=C([O-])c1cccc2c1CCN2C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000907983053 1040256389 /nfs/dbraw/zinc/25/63/89/1040256389.db2.gz SGQRJKLVHSDQHI-CHWSQXEVSA-N -1 0 341.329 3.643 20 0 EHADRM C[C@@H](c1ccc(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)cc1)C(F)(F)F ZINC000908035856 1040273476 /nfs/dbraw/zinc/27/34/76/1040273476.db2.gz TXZPCUSJASSXEU-GWCFXTLKSA-N -1 0 345.361 3.972 20 0 EHADRM CC[C@@H](CNC(=O)c1ccc([O-])c(Cl)c1)Oc1ccccc1C ZINC000489994074 1040276066 /nfs/dbraw/zinc/27/60/66/1040276066.db2.gz PUHQDGCRAVGTCS-AWEZNQCLSA-N -1 0 333.815 3.941 20 0 EHADRM CN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(CC(=O)[O-])c1 ZINC000908077637 1040288204 /nfs/dbraw/zinc/28/82/04/1040288204.db2.gz LPJXBXIEKBRKIC-OLZOCXBDSA-N -1 0 343.345 3.645 20 0 EHADRM Cc1ccccc1-c1cccc(CN=c2[n-]ncn2-c2cccnc2)c1 ZINC000489985265 1040288900 /nfs/dbraw/zinc/28/89/00/1040288900.db2.gz AELFHUAULUDXGV-UHFFFAOYSA-N -1 0 341.418 3.672 20 0 EHADRM CC[C@@H](CC(=O)N(C)c1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC000908079295 1040290592 /nfs/dbraw/zinc/29/05/92/1040290592.db2.gz XEJKMFLSJCPOQO-INIZCTEOSA-N -1 0 325.408 3.860 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000899311460 1040311917 /nfs/dbraw/zinc/31/19/17/1040311917.db2.gz NEYKWJNVEKQGDM-SECBINFHSA-N -1 0 346.214 3.640 20 0 EHADRM O=C(CCCC1CCCC1)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC000908164384 1040314548 /nfs/dbraw/zinc/31/45/48/1040314548.db2.gz HYYRARBNVGXHFP-CSLYMUCUSA-N -1 0 339.501 3.592 20 0 EHADRM C[C@@H]1CCC[C@H](C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)C1 ZINC000345887326 1040331851 /nfs/dbraw/zinc/33/18/51/1040331851.db2.gz OMWOJCGYHZMUAI-IFUGULHKSA-N -1 0 341.810 3.937 20 0 EHADRM CC1(C(=O)[O-])CCN(C(=O)CCCc2csc3ccccc23)CC1 ZINC000364186857 1040374426 /nfs/dbraw/zinc/37/44/26/1040374426.db2.gz YVIWMEIAJITCEN-UHFFFAOYSA-N -1 0 345.464 3.937 20 0 EHADRM O=C([O-])C1(CCCCNC(=O)c2[nH]c3ccccc3c2Cl)CCC1 ZINC000908341599 1040402799 /nfs/dbraw/zinc/40/27/99/1040402799.db2.gz MCZBWQOPWFKBJY-UHFFFAOYSA-N -1 0 348.830 3.976 20 0 EHADRM Cc1ccc(C)c(C2CCN(C(=O)c3cc(C(=O)[O-])co3)CC2)c1 ZINC000908354655 1040406100 /nfs/dbraw/zinc/40/61/00/1040406100.db2.gz ILOIZYRTFYKIGL-UHFFFAOYSA-N -1 0 327.380 3.614 20 0 EHADRM CCc1onc(C)c1/C=C\c1cc(C(=O)[O-])c2cnn(C(C)C)c2n1 ZINC000899370857 1040407075 /nfs/dbraw/zinc/40/70/75/1040407075.db2.gz LHSDTHRHPPGFQM-SREVYHEPSA-N -1 0 340.383 3.740 20 0 EHADRM Cc1oc(-c2ccccc2)c(C(=O)N[C@@H]2CC[C@H](CC(=O)[O-])C2)c1C ZINC000908372372 1040417907 /nfs/dbraw/zinc/41/79/07/1040417907.db2.gz BPFXSMLXZZGAGX-GOEBONIOSA-N -1 0 341.407 3.937 20 0 EHADRM CCC[C@H](C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000908376913 1040420966 /nfs/dbraw/zinc/42/09/66/1040420966.db2.gz ZKRREMOVZZWRFQ-MAZHCROVSA-N -1 0 337.847 3.983 20 0 EHADRM O=C(N=c1cc(C(F)(F)F)[n-][nH]1)c1cc(F)c(Cl)cc1Cl ZINC000479650093 1040464265 /nfs/dbraw/zinc/46/42/65/1040464265.db2.gz SAHMPIMGJTYWOC-UHFFFAOYSA-N -1 0 342.079 3.549 20 0 EHADRM COc1cc(Nc2ccc(C(=O)[O-])c(C)c2)cc(Br)n1 ZINC001211654871 1040487742 /nfs/dbraw/zinc/48/77/42/1040487742.db2.gz BAYOKJKDAGSPNU-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM C[C@@H](Oc1ccc(-c2ccc(NC(=O)C(C)(C)C)nc2)cc1)C(=O)[O-] ZINC000575882193 1040496029 /nfs/dbraw/zinc/49/60/29/1040496029.db2.gz MBMWPFQYZBBYIJ-GFCCVEGCSA-N -1 0 342.395 3.585 20 0 EHADRM CCc1ccc([C@H](C)C(=O)Nc2cccc(C(=O)[O-])c2OC)cc1 ZINC000908506258 1040497395 /nfs/dbraw/zinc/49/73/95/1040497395.db2.gz DIHIZXWSFRHUGQ-LBPRGKRZSA-N -1 0 327.380 3.698 20 0 EHADRM CC(C)C[C@H]1CCCN1C(=O)N=c1[n-]nc(/C=C\c2ccco2)s1 ZINC000486881876 1040509370 /nfs/dbraw/zinc/50/93/70/1040509370.db2.gz RSIZCIVKULCRAJ-MEJMFZKBSA-N -1 0 346.456 3.766 20 0 EHADRM COc1cc(Nc2ccc(C(=O)[O-])c(C)c2)ncc1C(F)(F)F ZINC001211655014 1040524114 /nfs/dbraw/zinc/52/41/14/1040524114.db2.gz JZNBZHKOAMCGGI-UHFFFAOYSA-N -1 0 326.274 3.859 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)c2cccc(-c3c(F)cccc3F)c2)C1 ZINC000908599886 1040527837 /nfs/dbraw/zinc/52/78/37/1040527837.db2.gz YGOOYQOKMQLNLT-AWEZNQCLSA-N -1 0 345.345 3.569 20 0 EHADRM C[C@](CCF)(NC(=O)Nc1ncc(C2CCCCC2)s1)C(=O)[O-] ZINC000908679094 1040585289 /nfs/dbraw/zinc/58/52/89/1040585289.db2.gz UGTASXLUCMQBDS-OAHLLOKOSA-N -1 0 343.424 3.515 20 0 EHADRM C[C@]1(CNC(=O)c2ccc3[n-]c(=S)oc3c2)CCOC2(CCC2)C1 ZINC000899488399 1040588713 /nfs/dbraw/zinc/58/87/13/1040588713.db2.gz PRPMPCBNTUUOQP-KRWDZBQOSA-N -1 0 346.452 3.586 20 0 EHADRM CC[C@H](c1n[n-]c(=NCc2ccnn2C(C)C)s1)c1ccccc1 ZINC000479761871 1040600431 /nfs/dbraw/zinc/60/04/31/1040600431.db2.gz DFCKWFVDGPZUIQ-INIZCTEOSA-N -1 0 341.484 3.891 20 0 EHADRM O=C(c1cc(F)c(F)c([O-])c1F)N(CC1CCCCC1)C1CC1 ZINC000509777017 1040605558 /nfs/dbraw/zinc/60/55/58/1040605558.db2.gz WXMQWTIUJFMEMV-UHFFFAOYSA-N -1 0 327.346 3.994 20 0 EHADRM CCC(CC)c1n[n-]c(=NC(=O)NCc2cc(C)c(O)c(C)c2)s1 ZINC000509774888 1040617042 /nfs/dbraw/zinc/61/70/42/1040617042.db2.gz FKGDGGXAVNTICJ-UHFFFAOYSA-N -1 0 348.472 3.508 20 0 EHADRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000908766877 1040641724 /nfs/dbraw/zinc/64/17/24/1040641724.db2.gz UNWRVVYXYSVHHY-ARFHVFGLSA-N -1 0 335.831 3.895 20 0 EHADRM CC(C)CCOc1ccc(NC(=O)c2ccoc2CC(=O)[O-])cc1 ZINC000908820817 1040666883 /nfs/dbraw/zinc/66/68/83/1040666883.db2.gz UEPDADRILSSYEO-UHFFFAOYSA-N -1 0 331.368 3.584 20 0 EHADRM C[C@H](Nc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1)c1cscn1 ZINC000687631134 1040690097 /nfs/dbraw/zinc/69/00/97/1040690097.db2.gz OROLWTDBLOPHEE-QMMMGPOBSA-N -1 0 347.337 3.634 20 0 EHADRM C[C@H](Cc1cnc2ccccc2n1)C(=O)Nc1cccc(Cl)c1[O-] ZINC000490748412 1040719048 /nfs/dbraw/zinc/71/90/48/1040719048.db2.gz YBXJHKIJQBWQIW-LLVKDONJSA-N -1 0 341.798 3.806 20 0 EHADRM O=C([O-])C1(CC(=O)Nc2ccccc2OCC(F)(F)F)CCCC1 ZINC000325007568 1040747240 /nfs/dbraw/zinc/74/72/40/1040747240.db2.gz AYQYTFCFXRCURW-UHFFFAOYSA-N -1 0 345.317 3.601 20 0 EHADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)C[C@H](C)c1ccccc1 ZINC000555525088 1040750471 /nfs/dbraw/zinc/75/04/71/1040750471.db2.gz UVDQBKKYXDCCRU-ZDUSSCGKSA-N -1 0 336.395 3.618 20 0 EHADRM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000192155698 1040754019 /nfs/dbraw/zinc/75/40/19/1040754019.db2.gz NZTNSBUEQIIXDN-UHFFFAOYSA-N -1 0 335.859 3.630 20 0 EHADRM Cc1ccccc1[C@H](C)C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000909065133 1040787728 /nfs/dbraw/zinc/78/77/28/1040787728.db2.gz IYNFFDHPFMBUAY-DAYGRLMNSA-N -1 0 325.408 3.677 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NC(=O)CC(C)(C)CC(F)(F)F)c1ccccc1 ZINC000909067779 1040790515 /nfs/dbraw/zinc/79/05/15/1040790515.db2.gz SNGBTIHLAOHMLI-FZMZJTMJSA-N -1 0 345.361 3.933 20 0 EHADRM CC(C)(C)OC1CC(CC(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)C1 ZINC000909097600 1040799652 /nfs/dbraw/zinc/79/96/52/1040799652.db2.gz SNKNZCOTTIFNBY-TWGQIWQCSA-N -1 0 331.412 3.707 20 0 EHADRM CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1s[n-]c(=O)c1Cl ZINC000555552371 1040803939 /nfs/dbraw/zinc/80/39/39/1040803939.db2.gz DCUNYFZINFEJPR-UHFFFAOYSA-N -1 0 340.876 3.791 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CC(C)(C)CC(F)(F)F ZINC000909135043 1040836751 /nfs/dbraw/zinc/83/67/51/1040836751.db2.gz YPWSTFDHKXWJKP-UHFFFAOYSA-N -1 0 331.334 3.712 20 0 EHADRM O=C(C=CCc1cccc(F)c1)N=c1nc(-c2ccsc2)[n-]s1 ZINC000487272721 1040867921 /nfs/dbraw/zinc/86/79/21/1040867921.db2.gz WOLINFBQYDNWHK-RQOWECAXSA-N -1 0 345.424 3.870 20 0 EHADRM O=C([O-])Cc1ccc(-c2ccc(O[C@H]3CCOC3)cc2)c(Cl)c1 ZINC000899633830 1040884113 /nfs/dbraw/zinc/88/41/13/1040884113.db2.gz LKZKQCRLOFWBBS-HNNXBMFYSA-N -1 0 332.783 3.802 20 0 EHADRM CC(C)Oc1ccc(-c2cccc3c2NC(=O)[C@@H]3CC(=O)[O-])cc1 ZINC000899639910 1040906297 /nfs/dbraw/zinc/90/62/97/1040906297.db2.gz VTGJWEIWAOIJDT-MRXNPFEDSA-N -1 0 325.364 3.651 20 0 EHADRM Cc1ccc(CCC(=O)N[C@@](C)(CC(=O)[O-])c2cccc(F)c2)s1 ZINC000909684491 1040932294 /nfs/dbraw/zinc/93/22/94/1040932294.db2.gz ZCJSMSWDUWUODP-SFHVURJKSA-N -1 0 349.427 3.635 20 0 EHADRM Cc1ccc2cccc(S(=O)(=O)[N-]c3ccc(C)c(F)c3)c2n1 ZINC000570893821 1040968684 /nfs/dbraw/zinc/96/86/84/1040968684.db2.gz DFMNLHLTWNIGDZ-UHFFFAOYSA-N -1 0 330.384 3.792 20 0 EHADRM COc1ccc2c(c1)[C@@H](C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1)CC2 ZINC000909834656 1041031242 /nfs/dbraw/zinc/03/12/42/1041031242.db2.gz MTUHCBKAVWSYIZ-PXAZEXFGSA-N -1 0 339.391 3.552 20 0 EHADRM O=C([O-])C12CCC(C(=O)NCc3cccc4ccsc43)(CC1)C2 ZINC000909872926 1041041710 /nfs/dbraw/zinc/04/17/10/1041041710.db2.gz DVODDLKGGWWBGX-UHFFFAOYSA-N -1 0 329.421 3.553 20 0 EHADRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)nc2C)c1 ZINC000193497580 1041071083 /nfs/dbraw/zinc/07/10/83/1041071083.db2.gz ARSIHHNCBGXRTE-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM O=C([O-])C12CCC(C(=O)N3CCCC4(CCCC4)CC3)(CC1)CC2 ZINC000909943013 1041074479 /nfs/dbraw/zinc/07/44/79/1041074479.db2.gz FVFCHYJZNJXSPS-UHFFFAOYSA-N -1 0 333.472 3.985 20 0 EHADRM O=C([O-])C12CCC(C(=O)N(Cc3ccccc3F)CC3CC3)(CC1)C2 ZINC000909965897 1041086033 /nfs/dbraw/zinc/08/60/33/1041086033.db2.gz KMSXCLDVCYXHMV-UHFFFAOYSA-N -1 0 345.414 3.599 20 0 EHADRM CCOc1ccc(NC(=O)C[C@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000899760102 1041086717 /nfs/dbraw/zinc/08/67/17/1041086717.db2.gz WSUAXRLAMCXGPV-KRWDZBQOSA-N -1 0 327.380 3.591 20 0 EHADRM Cc1ccc([C@@H](CC(=O)NCc2ccc(Cl)s2)C(=O)[O-])cc1 ZINC000899761361 1041089029 /nfs/dbraw/zinc/08/90/29/1041089029.db2.gz HXUAYWVBAXFWDZ-CYBMUJFWSA-N -1 0 337.828 3.585 20 0 EHADRM CC(C)(C)SCCCC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000909954098 1041094996 /nfs/dbraw/zinc/09/49/96/1041094996.db2.gz CKEIMXZLJIXBRX-ILXRZTDVSA-N -1 0 341.517 3.790 20 0 EHADRM Cc1ccc2oc(CNC(=O)C34CCC(C(=O)[O-])(CC3)CC4)cc2c1 ZINC000909955015 1041095255 /nfs/dbraw/zinc/09/52/55/1041095255.db2.gz QDAINEPYZBSKPI-UHFFFAOYSA-N -1 0 341.407 3.783 20 0 EHADRM CCOCc1cccc(NC(=O)C[C@@H](C(=O)[O-])c2ccc(C)cc2)c1 ZINC000899766283 1041095841 /nfs/dbraw/zinc/09/58/41/1041095841.db2.gz KARZYAFCUSPRPO-GOSISDBHSA-N -1 0 341.407 3.729 20 0 EHADRM Cc1cc(Nc2ccccc2C(=O)NC(C)(C)C)ccc1C(=O)[O-] ZINC001211657423 1041097227 /nfs/dbraw/zinc/09/72/27/1041097227.db2.gz MVJUBYJUZQFUOM-UHFFFAOYSA-N -1 0 326.396 3.965 20 0 EHADRM CSc1cccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C(=O)[O-])c1C ZINC000899776164 1041115250 /nfs/dbraw/zinc/11/52/50/1041115250.db2.gz SGQDXHHHYGAPLR-XHUUTOEUSA-N -1 0 331.437 3.568 20 0 EHADRM CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(OC(F)F)cc1F ZINC000899782891 1041118179 /nfs/dbraw/zinc/11/81/79/1041118179.db2.gz QYKVLKRZZOTPPF-VIFPVBQESA-N -1 0 333.306 3.503 20 0 EHADRM COc1cccc([C@@H](C)CCCC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000909988591 1041121169 /nfs/dbraw/zinc/12/11/69/1041121169.db2.gz RINFNOYPSUPRSF-DAYGRLMNSA-N -1 0 347.455 3.538 20 0 EHADRM CSc1ccc(Cl)cc1NC(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000570964092 1041128332 /nfs/dbraw/zinc/12/83/32/1041128332.db2.gz AHTOIKIOOQAYQC-KOLCDFICSA-N -1 0 342.848 3.636 20 0 EHADRM Cc1ccc([C@H](CC(=O)N(C)Cc2ccccc2C)C(=O)[O-])cc1 ZINC000899797230 1041131971 /nfs/dbraw/zinc/13/19/71/1041131971.db2.gz ZZEJEXIUFSRASY-SFHVURJKSA-N -1 0 325.408 3.520 20 0 EHADRM Cc1ccc([C@H](CC(=O)N[C@H](c2cccs2)C2CC2)C(=O)[O-])cc1 ZINC000899796663 1041148174 /nfs/dbraw/zinc/14/81/74/1041148174.db2.gz NVWHFDNPTGTUCC-YJBOKZPZSA-N -1 0 343.448 3.882 20 0 EHADRM CCC(CC)(NC(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21)C(=O)[O-] ZINC000555790947 1041150836 /nfs/dbraw/zinc/15/08/36/1041150836.db2.gz NETBIPYWUKOCIB-CYBMUJFWSA-N -1 0 336.432 3.544 20 0 EHADRM Cc1c(NC(=O)C2CCCC2)cc(Br)cc1C(=O)[O-] ZINC000910082615 1041166136 /nfs/dbraw/zinc/16/61/36/1041166136.db2.gz INBDBZWIAVVKJH-UHFFFAOYSA-N -1 0 326.190 3.584 20 0 EHADRM CC(C)CCc1nc(CN(C)[C@H](Cc2ccccc2)C(=O)[O-])cs1 ZINC000571096699 1041182939 /nfs/dbraw/zinc/18/29/39/1041182939.db2.gz HVYJPLSGZHGQSZ-QGZVFWFLSA-N -1 0 346.496 3.859 20 0 EHADRM COCCc1ccc(-c2cccc(C[C@H](CCOC)C(=O)[O-])c2)cc1 ZINC000571298474 1041188973 /nfs/dbraw/zinc/18/89/73/1041188973.db2.gz DQSWTNVNYFNFEC-FQEVSTJZSA-N -1 0 342.435 3.822 20 0 EHADRM CC(C)c1cccc(C(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)n1 ZINC000910104079 1041192434 /nfs/dbraw/zinc/19/24/34/1041192434.db2.gz VXGDEDHDVCLDNY-ROUUACIJSA-N -1 0 338.407 3.636 20 0 EHADRM C[C@H]1C[C@H](C(=O)N2CCC[C@@H]2c2nc(C(=O)[O-])cs2)C[C@@H](C)C1 ZINC000910111277 1041194736 /nfs/dbraw/zinc/19/47/36/1041194736.db2.gz ZUDKQPGFCYMXKV-OWTLIXCDSA-N -1 0 336.457 3.577 20 0 EHADRM CC(C)(C)C1CC(C(=O)N2CCC[C@H]2c2nc(C(=O)[O-])cs2)C1 ZINC000910109886 1041194919 /nfs/dbraw/zinc/19/49/19/1041194919.db2.gz LRTBIUFXCWBDMG-XIVSLSHWSA-N -1 0 336.457 3.577 20 0 EHADRM CC(C)C[C@](C)(CC(=O)[O-])C(=O)Nc1cccc(-c2ccon2)c1 ZINC000899847162 1041197080 /nfs/dbraw/zinc/19/70/80/1041197080.db2.gz QEVUTPBCVMUFLB-GOSISDBHSA-N -1 0 330.384 3.807 20 0 EHADRM O=C([O-])c1csc([C@@H]2CCCN2C(=O)/C=C\C2CCCCC2)n1 ZINC000910113612 1041197152 /nfs/dbraw/zinc/19/71/52/1041197152.db2.gz JFHCWPDJTOPCHI-CKXPSTMWSA-N -1 0 334.441 3.641 20 0 EHADRM C[C@@H]1CCN(C(=O)Nc2ccc(OC3CCCC3)cc2)[C@@H](C(=O)[O-])C1 ZINC000555852338 1041226180 /nfs/dbraw/zinc/22/61/80/1041226180.db2.gz DLFVVSGNVUODJI-CXAGYDPISA-N -1 0 346.427 3.725 20 0 EHADRM C[C@@H](Oc1ccc(NC(=O)CC(C)(C)CC(F)F)cc1F)C(=O)[O-] ZINC000910225399 1041242419 /nfs/dbraw/zinc/24/24/19/1041242419.db2.gz HTMBYIJOSCTIDI-SECBINFHSA-N -1 0 347.333 3.688 20 0 EHADRM O=C([O-])c1ccccc1CC(=O)NC1(c2ccccc2Cl)CCC1 ZINC000652081267 1041346777 /nfs/dbraw/zinc/34/67/77/1041346777.db2.gz LQASTJWRISQVKC-UHFFFAOYSA-N -1 0 343.810 3.776 20 0 EHADRM C[C@@]1(c2cccc(F)c2)CCN(C(=O)CC2CCC(C(=O)[O-])CC2)C1 ZINC000652082070 1041351277 /nfs/dbraw/zinc/35/12/77/1041351277.db2.gz FYNIWMWBVUZYSZ-NODKNVJMSA-N -1 0 347.430 3.597 20 0 EHADRM O=C(CSc1nc(-c2ccccc2)co1)[N-]OCc1ccccc1 ZINC000195102407 1041383654 /nfs/dbraw/zinc/38/36/54/1041383654.db2.gz RDJPVKPSHFZSFA-UHFFFAOYSA-N -1 0 340.404 3.682 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N2CCCC[C@H]2CC(C)C)s1 ZINC000467220378 1041385034 /nfs/dbraw/zinc/38/50/34/1041385034.db2.gz WLYCDNRPYSGZSD-NSHDSACASA-N -1 0 328.507 3.505 20 0 EHADRM COC(=O)CCCc1ccc(Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC001211658158 1041419897 /nfs/dbraw/zinc/41/98/97/1041419897.db2.gz CMXWUAOTRZVVSU-UHFFFAOYSA-N -1 0 327.380 3.933 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)c1 ZINC000511717150 1041486172 /nfs/dbraw/zinc/48/61/72/1041486172.db2.gz YIIVDHGUMLSHNA-UHFFFAOYSA-N -1 0 337.416 3.860 20 0 EHADRM CCC[C@H](CC1CCCC1)C(=O)N[C@@H](CC1(OC)CCC1)C(=O)[O-] ZINC000652108643 1041618935 /nfs/dbraw/zinc/61/89/35/1041618935.db2.gz UGKXONHAUOFJQL-CVEARBPZSA-N -1 0 339.476 3.512 20 0 EHADRM CSc1cc(Cl)ccc1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000659165668 1041623372 /nfs/dbraw/zinc/62/33/72/1041623372.db2.gz BNOLBGPLOPSQPS-NXEZZACHSA-N -1 0 327.833 3.891 20 0 EHADRM N#C/C(=C/c1sccc1Cl)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000195224004 1041709079 /nfs/dbraw/zinc/70/90/79/1041709079.db2.gz QHIFNCOTVGZVCZ-YFHOEESVSA-N -1 0 332.768 3.645 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2cccc(C(F)F)c2Cl)C[C@H]1C(=O)[O-] ZINC000647699764 1041782247 /nfs/dbraw/zinc/78/22/47/1041782247.db2.gz FGRPZRKNIUYBQN-WCBMZHEXSA-N -1 0 346.761 3.852 20 0 EHADRM CO[C@H](CC(=O)Nc1cc(Cl)cc(Cl)c1[O-])C(F)(F)F ZINC000651629267 1041811018 /nfs/dbraw/zinc/81/10/18/1041811018.db2.gz PKOFKINEYWJRFZ-MRVPVSSYSA-N -1 0 332.105 3.605 20 0 EHADRM Cc1cc(N2CCC(CCC(=O)[O-])CC2)c2ccc(F)c(F)c2n1 ZINC000662882874 1042188934 /nfs/dbraw/zinc/18/89/34/1042188934.db2.gz IJFIFKGQHQNION-UHFFFAOYSA-N -1 0 334.366 3.903 20 0 EHADRM COc1cccc2c1ncc(C)c2N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000662888222 1042196895 /nfs/dbraw/zinc/19/68/95/1042196895.db2.gz YDTPPVGTDRPEOA-AWEZNQCLSA-N -1 0 328.412 3.633 20 0 EHADRM Cc1csc(-c2ccc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc2)n1 ZINC000663032137 1042368829 /nfs/dbraw/zinc/36/88/29/1042368829.db2.gz AOZOAXVVMVIRFZ-CYBMUJFWSA-N -1 0 332.425 3.804 20 0 EHADRM CC(C)c1cccc(C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1 ZINC000663058716 1042406477 /nfs/dbraw/zinc/40/64/77/1042406477.db2.gz WIFGLMJGWBVKKQ-MOPGFXCFSA-N -1 0 337.419 3.750 20 0 EHADRM CC(C)c1n[n-]c(=N[C@H]2COc3c2ccc(Cl)c3Cl)s1 ZINC000432243989 1042417248 /nfs/dbraw/zinc/41/72/48/1042417248.db2.gz ZPDCQWFZPRIPJI-VIFPVBQESA-N -1 0 330.240 3.936 20 0 EHADRM Cc1cc([C@@H](C)N(C)Cc2cnn(-c3ccccc3)c2)oc1C(=O)[O-] ZINC000652381437 1042436463 /nfs/dbraw/zinc/43/64/63/1042436463.db2.gz CTWMEUSYPKXXLR-CQSZACIVSA-N -1 0 339.395 3.665 20 0 EHADRM CCC[C@@H](C(=O)[O-])n1ccc(NC(=O)c2cc3c(s2)CCCC3)n1 ZINC000659185549 1042472409 /nfs/dbraw/zinc/47/24/09/1042472409.db2.gz QAHSBMCSYYMBPU-LBPRGKRZSA-N -1 0 347.440 3.502 20 0 EHADRM Cc1ccc(-c2ccsc2C(=O)NC[C@H](C(=O)[O-])C2CCC2)cc1 ZINC000663145919 1042491036 /nfs/dbraw/zinc/49/10/36/1042491036.db2.gz ATWGLFLLSKDZCT-INIZCTEOSA-N -1 0 343.448 3.954 20 0 EHADRM CC(C)(Cc1cccc(Cl)c1)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663146622 1042491801 /nfs/dbraw/zinc/49/18/01/1042491801.db2.gz HGEFOTGHNUFLAK-OAHLLOKOSA-N -1 0 337.847 3.526 20 0 EHADRM COc1ccc(-c2cnc(CN(CC(=O)[O-])C3CCCCC3)o2)cc1 ZINC000652481806 1042498478 /nfs/dbraw/zinc/49/84/78/1042498478.db2.gz BDUNDRKKWGJFOG-UHFFFAOYSA-N -1 0 344.411 3.570 20 0 EHADRM O=C([O-])CN(Cc1nc(-c2ccc(Cl)cc2)no1)C1CCCCC1 ZINC000652482619 1042499465 /nfs/dbraw/zinc/49/94/65/1042499465.db2.gz LOVOOYJDAKVEMN-UHFFFAOYSA-N -1 0 349.818 3.609 20 0 EHADRM O=C(NCC1(c2cccc(F)c2)CC1)c1cc(F)c([O-])c(Cl)c1 ZINC000184430795 1042541225 /nfs/dbraw/zinc/54/12/25/1042541225.db2.gz ZOTITNYGTXJTDP-UHFFFAOYSA-N -1 0 337.753 3.785 20 0 EHADRM Cc1cnc([C@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)C2CC2)s1 ZINC000184445503 1042547688 /nfs/dbraw/zinc/54/76/88/1042547688.db2.gz CSTVRJNHXZENFA-GFCCVEGCSA-N -1 0 340.807 3.831 20 0 EHADRM COc1cccc(F)c1[C@@H](C)NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184449294 1042548184 /nfs/dbraw/zinc/54/81/84/1042548184.db2.gz FJGUEKOJTDYCMI-MRVPVSSYSA-N -1 0 341.741 3.823 20 0 EHADRM O=C(Nc1nc(-c2ccc(O)cc2)cs1)c1c([O-])cccc1F ZINC000184644577 1042588264 /nfs/dbraw/zinc/58/82/64/1042588264.db2.gz PZCMKVABDFXRKA-UHFFFAOYSA-N -1 0 330.340 3.613 20 0 EHADRM Cc1nc2ccccc2c(=O)n1N=Cc1cc(Cl)cc(Cl)c1[O-] ZINC000254736858 1042626369 /nfs/dbraw/zinc/62/63/69/1042626369.db2.gz HXEWCWNSXWPSNH-UHFFFAOYSA-N -1 0 348.189 3.600 20 0 EHADRM O=C([O-])[C@@H]1CCN(C(=O)CCSc2ccccc2)[C@H]2CCCC[C@H]12 ZINC000659194099 1042697279 /nfs/dbraw/zinc/69/72/79/1042697279.db2.gz LGFZSUDYTZHQNF-ZACQAIPSSA-N -1 0 347.480 3.661 20 0 EHADRM O=C([O-])[C@H](CNC(=O)Nc1cc(Cl)cc2cccnc21)C1CCC1 ZINC000663339535 1042721679 /nfs/dbraw/zinc/72/16/79/1042721679.db2.gz YEHGCOPEVZBWBI-CYBMUJFWSA-N -1 0 347.802 3.511 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663348105 1042734465 /nfs/dbraw/zinc/73/44/65/1042734465.db2.gz ITZFQZCKZQAROG-LBPRGKRZSA-N -1 0 344.333 3.636 20 0 EHADRM CCCOc1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000008108278 1042763097 /nfs/dbraw/zinc/76/30/97/1042763097.db2.gz CMETVQAYELRLBS-UHFFFAOYSA-N -1 0 327.352 3.554 20 0 EHADRM CC(C)(CC(=O)NNc1c(Cl)cc(Cl)cc1Cl)C(=O)[O-] ZINC000236793666 1042789089 /nfs/dbraw/zinc/78/90/89/1042789089.db2.gz GZBKKCIOWTZJTN-UHFFFAOYSA-N -1 0 339.606 3.591 20 0 EHADRM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1cccc(SC(F)F)c1 ZINC000066966071 1042894979 /nfs/dbraw/zinc/89/49/79/1042894979.db2.gz ZDHCPKFLYYMXDF-RYUDHWBXSA-N -1 0 327.352 3.607 20 0 EHADRM CC(C)(C)c1ccc(O)c([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000319675278 1042926644 /nfs/dbraw/zinc/92/66/44/1042926644.db2.gz STOWMCKRRSXKOH-UHFFFAOYSA-N -1 0 341.379 3.769 20 0 EHADRM O=C(Nc1cc(Br)cc(Cl)c1[O-])c1cc(F)c[nH]1 ZINC000344302435 1043616254 /nfs/dbraw/zinc/61/62/54/1043616254.db2.gz GQDNTERACULBLM-UHFFFAOYSA-N -1 0 333.544 3.528 20 0 EHADRM CCC[C@H](C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1 ZINC000653335527 1043740782 /nfs/dbraw/zinc/74/07/82/1043740782.db2.gz RBBXMHBSZNPRCI-IPELMVKDSA-N -1 0 337.419 4.000 20 0 EHADRM COc1cc(OC)cc(-c2noc(-c3ccc([O-])c(Cl)c3)n2)c1 ZINC000391076751 1043802263 /nfs/dbraw/zinc/80/22/63/1043802263.db2.gz BRBLDVGHXAGITC-UHFFFAOYSA-N -1 0 332.743 3.780 20 0 EHADRM CCC(CC)(CC(=O)NCc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000319958019 1043813598 /nfs/dbraw/zinc/81/35/98/1043813598.db2.gz CWDBLQDYFYZMLR-UHFFFAOYSA-N -1 0 331.334 3.603 20 0 EHADRM C[C@H](NC(=O)CC(C)(C)CC(=O)[O-])c1ccc(Br)cc1 ZINC000059436789 1043880067 /nfs/dbraw/zinc/88/00/67/1043880067.db2.gz NMSNBCPOFCZLLI-JTQLQIEISA-N -1 0 342.233 3.517 20 0 EHADRM Cc1ccsc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1C ZINC000337794056 1044449424 /nfs/dbraw/zinc/44/94/24/1044449424.db2.gz CGFCRTZSJOZSQK-UHFFFAOYSA-N -1 0 336.360 3.580 20 0 EHADRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cccc(SC)c2)c1C ZINC000337880496 1044524249 /nfs/dbraw/zinc/52/42/49/1044524249.db2.gz XTMMSDKQAKFKIQ-NSHDSACASA-N -1 0 339.486 3.685 20 0 EHADRM Cc1c(C)c(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)ccc1F ZINC001213194597 1044856602 /nfs/dbraw/zinc/85/66/02/1044856602.db2.gz QEKVKJQLLDCABA-UHFFFAOYSA-N -1 0 330.359 3.989 20 0 EHADRM CCN(CCOc1ccccc1OC)C(=O)c1ccc([O-])c(Cl)c1 ZINC000620712414 1125671979 /nfs/dbraw/zinc/67/19/79/1125671979.db2.gz DCSPWOJGCXESON-UHFFFAOYSA-N -1 0 349.814 3.595 20 0 EHADRM CC[C@H](CC(F)(F)F)NC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000622511689 1126713144 /nfs/dbraw/zinc/71/31/44/1126713144.db2.gz LGMUDOJVRAWUDG-SSDOTTSWSA-N -1 0 329.240 3.872 20 0 EHADRM CC1(C)CC[C@H](NC(=O)C[C@]2(C(=O)[O-])CCSC2)c2ccccc21 ZINC000622602477 1126728159 /nfs/dbraw/zinc/72/81/59/1126728159.db2.gz MWDSBCDKGMDTTC-HNAYVOBHSA-N -1 0 347.480 3.513 20 0 EHADRM O=C(C[C@]12CCCC[C@H]1C2(F)F)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000622822265 1126782001 /nfs/dbraw/zinc/78/20/01/1126782001.db2.gz FQZRQICERRUOGY-CRAIPNDOSA-N -1 0 343.377 3.720 20 0 EHADRM Cc1cc(Cl)cc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000336867627 1126812960 /nfs/dbraw/zinc/81/29/60/1126812960.db2.gz NWIONBIFTUQSIS-INIZCTEOSA-N -1 0 331.799 3.984 20 0 EHADRM Cc1cc([C@H](C)NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)c(C)s1 ZINC000336876588 1126813796 /nfs/dbraw/zinc/81/37/96/1126813796.db2.gz HFEXFNGGZWTPAE-ORAYPTAESA-N -1 0 345.464 3.975 20 0 EHADRM COc1cccc2cc(CNc3cc(C(=O)[O-])ccc3OC)oc21 ZINC000325062128 1126932168 /nfs/dbraw/zinc/93/21/68/1126932168.db2.gz STBKDQRTEBNXIE-UHFFFAOYSA-N -1 0 327.336 3.760 20 0 EHADRM CSc1c(F)cc([N-]S(=O)(=O)c2cc(C)oc2C)cc1F ZINC000181752492 1127294313 /nfs/dbraw/zinc/29/43/13/1127294313.db2.gz CHGJXPBGWJDWOU-UHFFFAOYSA-N -1 0 333.381 3.697 20 0 EHADRM O=S(=O)([N-]c1nccc2sccc21)c1cc(F)ccc1Cl ZINC000182022158 1127308482 /nfs/dbraw/zinc/30/84/82/1127308482.db2.gz QGPZGABRFFEFHE-UHFFFAOYSA-N -1 0 342.804 3.890 20 0 EHADRM Cc1ccc2c(c1)N(C(=O)c1cc(F)c(F)c([O-])c1F)C[C@@H](C)O2 ZINC000183021082 1127359208 /nfs/dbraw/zinc/35/92/08/1127359208.db2.gz WEXNRGYUVOTYRE-SECBINFHSA-N -1 0 337.297 3.546 20 0 EHADRM CN(Cc1ccc(Cl)c(F)c1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000183583498 1127381635 /nfs/dbraw/zinc/38/16/35/1127381635.db2.gz RRMSIVUSKCKALE-UHFFFAOYSA-N -1 0 347.695 3.874 20 0 EHADRM Cc1noc(C(C)C)c1[N-]S(=O)(=O)c1c(C)n(C)c2ccccc21 ZINC000901762457 1127435056 /nfs/dbraw/zinc/43/50/56/1127435056.db2.gz OOZBYHHMSPISHH-UHFFFAOYSA-N -1 0 347.440 3.707 20 0 EHADRM O=C(Nc1c(F)cccc1Cl)c1cnc(-c2ncccn2)s1 ZINC001127904694 1127681659 /nfs/dbraw/zinc/68/16/59/1127681659.db2.gz XKWCQEWHKHWXDD-UHFFFAOYSA-N -1 0 334.763 3.645 20 0 EHADRM COc1cccc(Cl)c1CC(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000765592141 1127691871 /nfs/dbraw/zinc/69/18/71/1127691871.db2.gz XEICJFCXYVFRCB-UHFFFAOYSA-N -1 0 348.811 3.960 20 0 EHADRM CCc1cccc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)c1 ZINC000023371368 1127696089 /nfs/dbraw/zinc/69/60/89/1127696089.db2.gz CBOWFVVEKVEMSV-UHFFFAOYSA-N -1 0 326.421 3.906 20 0 EHADRM O=C([N-]c1nnc(-c2ccco2)s1)c1cc(-c2cccs2)on1 ZINC000042001402 1127882662 /nfs/dbraw/zinc/88/26/62/1127882662.db2.gz KABTZUAIHGRASI-UHFFFAOYSA-N -1 0 344.377 3.767 20 0 EHADRM C[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)[C@H]1CC2CCC1CC2 ZINC001212356627 1127950422 /nfs/dbraw/zinc/95/04/22/1127950422.db2.gz ILCKRKBPBPFZQO-HHISKICNSA-N -1 0 347.402 3.597 20 0 EHADRM Cc1ncoc1C(=O)Nc1nnc(-c2cc3ccccc3o2)s1 ZINC000347544239 1128064593 /nfs/dbraw/zinc/06/45/93/1128064593.db2.gz ZIELIKGJUOOUNJ-UHFFFAOYSA-N -1 0 326.337 3.500 20 0 EHADRM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cnc(C(C)(C)C)nc2)cc1 ZINC000063850268 1128159016 /nfs/dbraw/zinc/15/90/16/1128159016.db2.gz JHNQAQVWZGCCJV-UHFFFAOYSA-N -1 0 347.484 3.773 20 0 EHADRM CCCOc1cccc(NS(=O)(=O)c2ccc(SC)cc2)c1 ZINC000064475803 1128168820 /nfs/dbraw/zinc/16/88/20/1128168820.db2.gz XLCUHLNZZHYLCR-UHFFFAOYSA-N -1 0 337.466 3.998 20 0 EHADRM CCCCCc1n[n-]c(=NC(=O)c2nccc3ccsc32)s1 ZINC000624515280 1128383614 /nfs/dbraw/zinc/38/36/14/1128383614.db2.gz MDEVFBLVVYWOAC-UHFFFAOYSA-N -1 0 332.454 3.555 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)sc3c2)o1 ZINC000350478887 1128454539 /nfs/dbraw/zinc/45/45/39/1128454539.db2.gz NXKHQDZXJQWJPF-UHFFFAOYSA-N -1 0 344.364 3.936 20 0 EHADRM CCCOc1cc(C)ccc1CN=c1[n-]nc(C2CCOCC2)s1 ZINC000338675858 1128479995 /nfs/dbraw/zinc/47/99/95/1128479995.db2.gz GSEISGZXYRASAN-UHFFFAOYSA-N -1 0 347.484 3.563 20 0 EHADRM CCC[C@H](NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655859564 1128509181 /nfs/dbraw/zinc/50/91/81/1128509181.db2.gz MWJPGTBZEUUYOR-LLLHUVSDSA-N -1 0 346.471 3.962 20 0 EHADRM CC(=O)n1ncc2ccc(Nc3cccc(O)c3Br)cc21 ZINC001212424895 1128510679 /nfs/dbraw/zinc/51/06/79/1128510679.db2.gz JHWCFJDBDVUUTR-UHFFFAOYSA-N -1 0 346.184 3.908 20 0 EHADRM C[C@@H](NCc1ccc(C(=O)[O-])s1)c1nc(C(F)(F)F)cs1 ZINC000903684687 1128572474 /nfs/dbraw/zinc/57/24/74/1128572474.db2.gz FXCITPXHUIKBPE-ZCFIWIBFSA-N -1 0 336.360 3.772 20 0 EHADRM CC(C)=C[C@H]1[C@H](C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)C1(C)C ZINC000057752479 1128663908 /nfs/dbraw/zinc/66/39/08/1128663908.db2.gz YPIPVZCVEOFJJY-UONOGXRCSA-N -1 0 327.384 3.619 20 0 EHADRM C[C@H](CC(=O)[O-])CC(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000306520588 1128798804 /nfs/dbraw/zinc/79/88/04/1128798804.db2.gz KDCXDOSTNZAEMN-INIZCTEOSA-N -1 0 325.408 3.716 20 0 EHADRM CC(C)OCc1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000063849413 1128902341 /nfs/dbraw/zinc/90/23/41/1128902341.db2.gz KNGKZPMASPZVOG-UHFFFAOYSA-N -1 0 341.379 3.691 20 0 EHADRM Cc1ccc(-c2[n-][nH]c(=NC(=O)[C@@H]3CC[C@@H](C(F)(F)F)C3)c2C)o1 ZINC000355014257 1128902823 /nfs/dbraw/zinc/90/28/23/1128902823.db2.gz HDNBSMGSTHVHGW-GHMZBOCLSA-N -1 0 341.333 3.626 20 0 EHADRM Cc1cc(Br)ccc1SCC(=O)[N-]OC(C)(C)C ZINC000148981464 1120298776 /nfs/dbraw/zinc/29/87/76/1120298776.db2.gz GYMAZIIOVKNQLU-UHFFFAOYSA-N -1 0 332.263 3.696 20 0 EHADRM O=C(c1cc(Cl)cc(Br)c1[O-])N1OC2CCC1CC2 ZINC001648982625 1120320688 /nfs/dbraw/zinc/32/06/88/1120320688.db2.gz XXCYZYSUEYYSGO-UHFFFAOYSA-N -1 0 346.608 3.507 20 0 EHADRM CC[C@H](NCc1cc(Cl)cc(Cl)c1)c1nc(C(=O)[O-])c[nH]1 ZINC000904065489 1120351509 /nfs/dbraw/zinc/35/15/09/1120351509.db2.gz RZSIHKUHYUOGMY-NSHDSACASA-N -1 0 328.199 3.656 20 0 EHADRM CSc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000185339001 1120410380 /nfs/dbraw/zinc/41/03/80/1120410380.db2.gz ZQAHINDNRFSTFF-UHFFFAOYSA-N -1 0 335.450 3.720 20 0 EHADRM CC(C)CC1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])CC1 ZINC000761603510 1120445826 /nfs/dbraw/zinc/44/58/26/1120445826.db2.gz VIXVWJSFSHQABT-UHFFFAOYSA-N -1 0 345.418 3.615 20 0 EHADRM COc1ccccc1CC(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000220321633 1120475290 /nfs/dbraw/zinc/47/52/90/1120475290.db2.gz LQVYTHQYUFBDQH-UHFFFAOYSA-N -1 0 326.179 3.889 20 0 EHADRM Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000152997858 1120521210 /nfs/dbraw/zinc/52/12/10/1120521210.db2.gz JSKYZKGZDJTJFS-UHFFFAOYSA-N -1 0 335.187 3.637 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)no2)sc1Cl ZINC000191543755 1120678031 /nfs/dbraw/zinc/67/80/31/1120678031.db2.gz WSTLUBGHTUKAJH-UHFFFAOYSA-N -1 0 334.850 3.796 20 0 EHADRM COCCc1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1Cl ZINC000191887399 1120700892 /nfs/dbraw/zinc/70/08/92/1120700892.db2.gz UTGDZUCZNXDDPI-UHFFFAOYSA-N -1 0 339.844 3.638 20 0 EHADRM CCO[C@H](C)c1nc(CO[N-]C(=O)C(C)(C)c2ccccc2)cs1 ZINC000076697121 1128942517 /nfs/dbraw/zinc/94/25/17/1128942517.db2.gz UCEOFOYTEPQINL-CYBMUJFWSA-N -1 0 348.468 3.766 20 0 EHADRM Cc1cccc(Oc2ccc(S(=O)(=O)[N-]c3ccon3)cc2)c1 ZINC000194757876 1120859300 /nfs/dbraw/zinc/85/93/00/1120859300.db2.gz PKPRYTXJGUZASO-UHFFFAOYSA-N -1 0 330.365 3.576 20 0 EHADRM O=C([N-]OCc1cccnc1)C1c2ccccc2Oc2ccccc21 ZINC000153202771 1120867954 /nfs/dbraw/zinc/86/79/54/1120867954.db2.gz YEDHILRLKBNJRM-UHFFFAOYSA-N -1 0 332.359 3.567 20 0 EHADRM CCC(CC)N(CC)C(=O)c1nn(-c2cc(C)ccc2F)cc1[O-] ZINC000494842543 1120882843 /nfs/dbraw/zinc/88/28/43/1120882843.db2.gz QEAGISLMHSHRAD-UHFFFAOYSA-N -1 0 333.407 3.676 20 0 EHADRM C[C@@H]1CCc2c(sc3[nH]c(-c4ccc(C(=O)[O-])s4)nc(=O)c23)C1 ZINC000494887122 1120894766 /nfs/dbraw/zinc/89/47/66/1120894766.db2.gz SAGXRCQIJXJJFH-SSDOTTSWSA-N -1 0 346.433 3.948 20 0 EHADRM Cc1ccc(-c2cnnc([N-][C@@H](c3ccccn3)C(F)(F)F)n2)cc1 ZINC001168476125 1120939103 /nfs/dbraw/zinc/93/91/03/1120939103.db2.gz BZZPSUNTNNZSCB-HNNXBMFYSA-N -1 0 345.328 3.958 20 0 EHADRM O=C([O-])/C=C/c1ccc(NC(=O)/C=C/c2ccc3ccccc3n2)cc1 ZINC000914731385 1120966960 /nfs/dbraw/zinc/96/69/60/1120966960.db2.gz RGJYJNIHSLXGKG-AJYQRGSPSA-N -1 0 344.370 3.985 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1ccc(C(C)(C)C)cc1 ZINC000914840504 1120999297 /nfs/dbraw/zinc/99/92/97/1120999297.db2.gz HKCWQWUIOJMAAN-GFCCVEGCSA-N -1 0 326.396 3.568 20 0 EHADRM O=C([O-])CC[C@H]1CCCCN1C(=O)Nc1ccccc1OC(F)F ZINC000324360993 1121045375 /nfs/dbraw/zinc/04/53/75/1121045375.db2.gz QWEGZAJZUITCKJ-LLVKDONJSA-N -1 0 342.342 3.539 20 0 EHADRM CC1(OCC(=O)Nc2cc(Br)cc(Cl)c2[O-])CCC1 ZINC000762328455 1121255569 /nfs/dbraw/zinc/25/55/69/1121255569.db2.gz NWOQIHGPNUHRLQ-UHFFFAOYSA-N -1 0 348.624 3.706 20 0 EHADRM COC(=O)Nc1cccc(C(=O)Nc2cc(F)cc(Cl)c2[O-])c1 ZINC000495534396 1121260072 /nfs/dbraw/zinc/26/00/72/1121260072.db2.gz RVQXUQULCYUKSF-UHFFFAOYSA-N -1 0 338.722 3.615 20 0 EHADRM Cc1cc(C)c([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cc1O ZINC000762454188 1121308608 /nfs/dbraw/zinc/30/86/08/1121308608.db2.gz FRGDAITWAUYRJN-UHFFFAOYSA-N -1 0 347.223 3.512 20 0 EHADRM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1O ZINC000762455805 1121309960 /nfs/dbraw/zinc/30/99/60/1121309960.db2.gz KJDUQOZTFBYUTQ-UHFFFAOYSA-N -1 0 347.223 3.512 20 0 EHADRM O=C(c1cc(F)c([O-])c(F)c1)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000762607453 1121381505 /nfs/dbraw/zinc/38/15/05/1121381505.db2.gz XXHNQMFGZGGKOD-OAHLLOKOSA-N -1 0 339.288 3.926 20 0 EHADRM CCCCOc1cccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)c1 ZINC000056145861 1121408114 /nfs/dbraw/zinc/40/81/14/1121408114.db2.gz HFIBXRBMXIXLCB-UHFFFAOYSA-N -1 0 336.391 3.959 20 0 EHADRM Cc1cc(NC(=O)COc2ccc(C(C)C)cc2)ccc1C(=O)[O-] ZINC000236674755 1121459897 /nfs/dbraw/zinc/45/98/97/1121459897.db2.gz NJKWNGYLXWFQBZ-UHFFFAOYSA-N -1 0 327.380 3.834 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000236939009 1121468985 /nfs/dbraw/zinc/46/89/85/1121468985.db2.gz XPAAODPGVACPCF-ZWKOTPCHSA-N -1 0 331.456 3.653 20 0 EHADRM CN(CCc1cccc2ccccc21)C(=O)c1ccc(C(=O)[O-])s1 ZINC000237217593 1121476987 /nfs/dbraw/zinc/47/69/87/1121476987.db2.gz HAQXCCRVBKIPIS-UHFFFAOYSA-N -1 0 339.416 3.914 20 0 EHADRM COc1ccc(CNC(=O)C[C@H](C)C2CCCCC2)cc1C(=O)[O-] ZINC000237290565 1121479247 /nfs/dbraw/zinc/47/92/47/1121479247.db2.gz HVCIZSFYYKIQGC-ZDUSSCGKSA-N -1 0 333.428 3.616 20 0 EHADRM C[C@H](NC(=O)CC(C)(C)CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000237569002 1121488495 /nfs/dbraw/zinc/48/84/95/1121488495.db2.gz UOMIRXMJIWDPBV-JTQLQIEISA-N -1 0 331.334 3.774 20 0 EHADRM Cc1cc(NC(=O)CCc2nc3ccccc3s2)ccc1C(=O)[O-] ZINC000237801146 1121494688 /nfs/dbraw/zinc/49/46/88/1121494688.db2.gz NGLZTMJOJMSRSR-UHFFFAOYSA-N -1 0 340.404 3.874 20 0 EHADRM CN(CCCC(=O)[O-])C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000316365056 1121539400 /nfs/dbraw/zinc/53/94/00/1121539400.db2.gz UFPKOCHBFSTAFF-UHFFFAOYSA-N -1 0 338.713 3.687 20 0 EHADRM CCN(C)[C@@H](C(=O)Nc1ccc2[n-]c(=S)oc2c1)c1ccccc1 ZINC000762964863 1121617206 /nfs/dbraw/zinc/61/72/06/1121617206.db2.gz QGLSEEHNXCHFSY-MRXNPFEDSA-N -1 0 341.436 3.748 20 0 EHADRM COc1cc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)cc(OC)c1C ZINC000762967058 1121619600 /nfs/dbraw/zinc/61/96/00/1121619600.db2.gz MJKNAYFVKMTPNR-UHFFFAOYSA-N -1 0 344.392 3.694 20 0 EHADRM O=C([O-])CC[C@H]1CCC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000322385465 1121645506 /nfs/dbraw/zinc/64/55/06/1121645506.db2.gz IDNMEMGRSQAJIM-LLVKDONJSA-N -1 0 333.325 3.921 20 0 EHADRM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)Nc1cccc2ccccc21 ZINC000106792887 1121769738 /nfs/dbraw/zinc/76/97/38/1121769738.db2.gz SGYFHGHKQMYDKT-IBGZPJMESA-N -1 0 346.386 3.883 20 0 EHADRM CC(C)c1ccc(C(=O)[N-]S(=O)(=O)/C=C\c2ccccc2)cc1 ZINC000916183057 1122085100 /nfs/dbraw/zinc/08/51/00/1122085100.db2.gz HPCHOXJRMJAGGS-SEYXRHQNSA-N -1 0 329.421 3.541 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Cc1ccc2c(c1)CCCC2)c1cccs1 ZINC000013389687 1129030462 /nfs/dbraw/zinc/03/04/62/1129030462.db2.gz IEEQURAEJBSCAT-INIZCTEOSA-N -1 0 343.448 3.502 20 0 EHADRM O=C([O-])c1cc(/C=C\c2cnn(-c3ccccc3)n2)nc2ccccc21 ZINC000916549449 1122198394 /nfs/dbraw/zinc/19/83/94/1122198394.db2.gz OQRAFNSGIGQVII-KHPPLWFESA-N -1 0 342.358 3.684 20 0 EHADRM O=C(c1ncccc1O)N(CCc1ccc(F)cc1)C1CCCC1 ZINC000124174236 1122276983 /nfs/dbraw/zinc/27/69/83/1122276983.db2.gz CXDFORLVFZTQJQ-UHFFFAOYSA-N -1 0 328.387 3.554 20 0 EHADRM O=c1nc(-c2cccc(Cl)c2[O-])[nH]c2sc3c(c21)CCCC3 ZINC000124938183 1122299610 /nfs/dbraw/zinc/29/96/10/1122299610.db2.gz SFLFYBJKJHNBNT-UHFFFAOYSA-N -1 0 332.812 3.889 20 0 EHADRM COc1ccccc1CC(=O)Nc1ccc(O)c(C(F)(F)F)c1 ZINC000125386029 1122314809 /nfs/dbraw/zinc/31/48/09/1122314809.db2.gz LUHHYHMUPJATJU-UHFFFAOYSA-N -1 0 325.286 3.601 20 0 EHADRM Cc1nn(CC(=O)Nc2ccc(O)c(C(F)(F)F)c2)c(C)c1Cl ZINC000125399548 1122315092 /nfs/dbraw/zinc/31/50/92/1122315092.db2.gz HLPOFPRDRMESIU-UHFFFAOYSA-N -1 0 347.724 3.516 20 0 EHADRM COc1cc(C(=O)[N-]c2ccccc2SCC(F)(F)F)on1 ZINC000154688663 1122323924 /nfs/dbraw/zinc/32/39/24/1122323924.db2.gz OPENYVQISLLWMD-UHFFFAOYSA-N -1 0 332.303 3.590 20 0 EHADRM CCCc1ccc(S(=O)(=O)[N-]C(=O)C[C@H](C)CC(C)(C)C)cc1 ZINC000916790004 1122349759 /nfs/dbraw/zinc/34/97/59/1122349759.db2.gz JNIPCWVVCQQXCO-AWEZNQCLSA-N -1 0 339.501 3.906 20 0 EHADRM CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000916815526 1122359045 /nfs/dbraw/zinc/35/90/45/1122359045.db2.gz UCPSONUBJFQODQ-CQSZACIVSA-N -1 0 337.485 3.587 20 0 EHADRM Cc1coc(-c2cccc(NS(=O)(=O)c3ccc(F)cc3C)c2)n1 ZINC000126808916 1122437308 /nfs/dbraw/zinc/43/73/08/1122437308.db2.gz ASDWKJFBCZOFKJ-UHFFFAOYSA-N -1 0 346.383 3.898 20 0 EHADRM COCCN(CCCc1ccccc1)C(=O)c1ccc([O-])c(Cl)c1 ZINC000068466352 1122652823 /nfs/dbraw/zinc/65/28/23/1122652823.db2.gz RFOCNQLYKBPAIF-UHFFFAOYSA-N -1 0 347.842 3.767 20 0 EHADRM Cc1ccc2nc(-c3nc(OC(C)C)ccc3Cl)[n-]c(=O)c2c1 ZINC000068463006 1122652856 /nfs/dbraw/zinc/65/28/56/1122652856.db2.gz BFONSXYCHFLZSX-UHFFFAOYSA-N -1 0 329.787 3.734 20 0 EHADRM Cc1ccc([N-]S(=O)(=O)c2cc(C)ccc2Br)cc1 ZINC000498009223 1122729936 /nfs/dbraw/zinc/72/99/36/1122729936.db2.gz ONCKUFWAUSBBND-UHFFFAOYSA-N -1 0 340.242 3.867 20 0 EHADRM C[C@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1cccc2ccccc21 ZINC000262722207 1122787701 /nfs/dbraw/zinc/78/77/01/1122787701.db2.gz QFSZVKJQSHCBGE-BPUTZDHNSA-N -1 0 325.408 3.908 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000642380171 1122789850 /nfs/dbraw/zinc/78/98/50/1122789850.db2.gz ZZZMAEWSNLBMNS-SNVBAGLBSA-N -1 0 338.454 3.582 20 0 EHADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2CCCC(C)(C)C2)c1 ZINC000556219350 1122884913 /nfs/dbraw/zinc/88/49/13/1122884913.db2.gz CSDXQOBMKCOJJP-ZBFHGGJFSA-N -1 0 333.428 3.544 20 0 EHADRM C[C@@H](NC(=O)N=c1[n-]nc(-c2ccsc2)s1)C1CCCCC1 ZINC000466011954 1129089689 /nfs/dbraw/zinc/08/96/89/1129089689.db2.gz UDSBQCUDRXOFGQ-SNVBAGLBSA-N -1 0 336.486 3.779 20 0 EHADRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ncc(Cl)cc1C ZINC000556493622 1123000931 /nfs/dbraw/zinc/00/09/31/1123000931.db2.gz RTVMHBHVXNWUPE-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM O=C([O-])[C@H]1CC[C@H](C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC1 ZINC000262873024 1123059134 /nfs/dbraw/zinc/05/91/34/1123059134.db2.gz DCVNHKRKLNBFRC-KYZUINATSA-N -1 0 347.745 3.771 20 0 EHADRM CCOc1ccc([C@@H](C)NC(=O)CC2CCC(C(=O)[O-])CC2)cc1 ZINC000649242187 1123357236 /nfs/dbraw/zinc/35/72/36/1123357236.db2.gz FZQAJJJKQHPJTI-VQCLRJIVSA-N -1 0 333.428 3.544 20 0 EHADRM CC[C@@H](CNC(=O)CC1CCC(C(=O)[O-])CC1)Oc1cccc(C)c1 ZINC000649247236 1123382479 /nfs/dbraw/zinc/38/24/79/1123382479.db2.gz DMBYHGIZSYVKOB-JCYILVPMSA-N -1 0 347.455 3.550 20 0 EHADRM COCc1cc(NC(=O)[C@H]2CCCC[C@@H]2C2CC2)cc(C(=O)[O-])c1 ZINC000649249017 1123385461 /nfs/dbraw/zinc/38/54/61/1123385461.db2.gz LHYCUORZKXQRJS-SJORKVTESA-N -1 0 331.412 3.686 20 0 EHADRM CC[C@H](C)[C@@H](C)C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC000263067145 1123386613 /nfs/dbraw/zinc/38/66/13/1123386613.db2.gz IWTRIOJMMAZUNK-SHUKQUCYSA-N -1 0 337.847 3.649 20 0 EHADRM CCc1ccc([C@@H](C)C(=O)N2CCc3cccc(C(=O)[O-])c3C2)cc1 ZINC000649258100 1123461834 /nfs/dbraw/zinc/46/18/34/1123461834.db2.gz HTVXFUVPJJYDCH-CQSZACIVSA-N -1 0 337.419 3.636 20 0 EHADRM O=C(c1c([O-])cc(F)cc1F)N1CCC(Cc2ccccc2)CC1 ZINC000066042017 1129125389 /nfs/dbraw/zinc/12/53/89/1129125389.db2.gz ORACZKABOYAZOW-UHFFFAOYSA-N -1 0 331.362 3.765 20 0 EHADRM CCOc1ccc(NC(=O)c2c([O-])cc(F)cc2F)cc1OCC ZINC000066042899 1129125792 /nfs/dbraw/zinc/12/57/92/1129125792.db2.gz BLAVKJYZAVMDIH-UHFFFAOYSA-N -1 0 337.322 3.720 20 0 EHADRM CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@H](CC)C(=O)[O-] ZINC000649264819 1123508797 /nfs/dbraw/zinc/50/87/97/1123508797.db2.gz IYQRXAHZXSLWES-OLZOCXBDSA-N -1 0 345.361 3.501 20 0 EHADRM CC(C)[C@@H](NC(=O)C[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000013468944 1129127392 /nfs/dbraw/zinc/12/73/92/1129127392.db2.gz HGJVMYXKAOSNPA-PKOBYXMFSA-N -1 0 325.408 3.758 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)C2(c3cccc(Cl)c3)CCCCC2)C1 ZINC000237642544 1123529791 /nfs/dbraw/zinc/52/97/91/1123529791.db2.gz GIZSKYQJQAQFDI-GOSISDBHSA-N -1 0 349.858 3.865 20 0 EHADRM CCc1onc(C)c1[N-]S(=O)(=O)c1ccc(CCC(C)C)cc1 ZINC000134757048 1123550757 /nfs/dbraw/zinc/55/07/57/1123550757.db2.gz DYUSWVAAFCMDKV-UHFFFAOYSA-N -1 0 336.457 3.935 20 0 EHADRM CC[C@H](C)CC(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000263197653 1123567901 /nfs/dbraw/zinc/56/79/01/1123567901.db2.gz UMOYUWFUFTWGCW-GXFFZTMASA-N -1 0 342.233 3.517 20 0 EHADRM CN(C)c1cccc(CN(C)C(=O)c2cc(F)cc(Cl)c2[O-])c1 ZINC000134951143 1123568420 /nfs/dbraw/zinc/56/84/20/1123568420.db2.gz HYMHFYKBSUZQAG-UHFFFAOYSA-N -1 0 336.794 3.523 20 0 EHADRM Cc1cccc(C)c1OCCC[N@@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000564339566 1123646504 /nfs/dbraw/zinc/64/65/04/1123646504.db2.gz XFPFNEGPUNGQEX-UHFFFAOYSA-N -1 0 339.435 3.829 20 0 EHADRM Cc1cncc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)c1 ZINC000080299405 1123750270 /nfs/dbraw/zinc/75/02/70/1123750270.db2.gz RTHWOSLTYKWHFQ-UHFFFAOYSA-N -1 0 330.331 3.518 20 0 EHADRM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000237560564 1123769385 /nfs/dbraw/zinc/76/93/85/1123769385.db2.gz DZAPZWAAMKIPRW-JATZPVMKSA-N -1 0 345.782 3.844 20 0 EHADRM Cc1ccc(NC(=O)CCCOCCc2ccccc2)cc1C(=O)[O-] ZINC000237601619 1123786081 /nfs/dbraw/zinc/78/60/81/1123786081.db2.gz DZYICXDFIQASCT-UHFFFAOYSA-N -1 0 341.407 3.671 20 0 EHADRM CC(C)Cc1n[n-]c(=NC(=O)N(CC2CCCCC2)C2CC2)s1 ZINC000615473750 1123804048 /nfs/dbraw/zinc/80/40/48/1123804048.db2.gz BOGYNWWVTKMBQI-UHFFFAOYSA-N -1 0 336.505 3.735 20 0 EHADRM N#Cc1cccc(OC2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)c1 ZINC000179778796 1123855159 /nfs/dbraw/zinc/85/51/59/1123855159.db2.gz SQJCRHQFNNGQPX-UHFFFAOYSA-N -1 0 342.826 3.961 20 0 EHADRM O=C([O-])c1cc(NC(=O)CCOCc2ccccc2)ccc1Cl ZINC000615939081 1123910598 /nfs/dbraw/zinc/91/05/98/1123910598.db2.gz QLWSTPWXQCFQCQ-UHFFFAOYSA-N -1 0 333.771 3.584 20 0 EHADRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1ccc(SC(F)F)cc1 ZINC000237937354 1123916906 /nfs/dbraw/zinc/91/69/06/1123916906.db2.gz HXEJCAMOASQRNS-LBPRGKRZSA-N -1 0 343.395 3.861 20 0 EHADRM CCc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000081935720 1123930473 /nfs/dbraw/zinc/93/04/73/1123930473.db2.gz XNTPWAILXLISLG-UHFFFAOYSA-N -1 0 325.343 3.532 20 0 EHADRM CC[C@@H]1CC[C@H](C)N(C(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])C1 ZINC000616104677 1123944660 /nfs/dbraw/zinc/94/46/60/1123944660.db2.gz CHOMIAJNHRUOPK-NWDGAFQWSA-N -1 0 349.381 3.507 20 0 EHADRM C[C@@H](O)C[C@@H](C)N=c1[n-]nc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000543047925 1129158607 /nfs/dbraw/zinc/15/86/07/1129158607.db2.gz IPNOLHYWFZZUSR-HTQZYQBOSA-N -1 0 332.256 3.505 20 0 EHADRM O=C(N[C@@H](c1ccccc1)C1(CO)CCC1)c1ccc([O-])c(Cl)c1 ZINC000616880350 1124044469 /nfs/dbraw/zinc/04/44/69/1124044469.db2.gz LFEKQSGSPWMXDV-KRWDZBQOSA-N -1 0 345.826 3.679 20 0 EHADRM C[C@H](Cc1ccccc1Cl)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000263549352 1124080318 /nfs/dbraw/zinc/08/03/18/1124080318.db2.gz VRDILEMSKIVFIY-UKRRQHHQSA-N -1 0 337.847 3.765 20 0 EHADRM CCc1ccc2occ(C(=O)N3CC[C@](C(=O)[O-])(C(C)C)C3)c2c1 ZINC000263555059 1124091825 /nfs/dbraw/zinc/09/18/25/1124091825.db2.gz YJZFXBNJWAXFDY-LJQANCHMSA-N -1 0 329.396 3.568 20 0 EHADRM Cc1ccc(NC(=O)CC2CCC(C(=O)[O-])CC2)c2cccnc12 ZINC000518983341 1124100873 /nfs/dbraw/zinc/10/08/73/1124100873.db2.gz HAUKGFUAFJACCJ-UHFFFAOYSA-N -1 0 326.396 3.763 20 0 EHADRM Cc1ccc2c(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)csc2c1 ZINC000263557002 1124105180 /nfs/dbraw/zinc/10/51/80/1124105180.db2.gz ZHPLYDAFBPBDPA-CYBMUJFWSA-N -1 0 331.437 3.927 20 0 EHADRM CCCN(CCc1cccs1)C(=O)CCc1ccccc1C(=O)[O-] ZINC000263558766 1124472271 /nfs/dbraw/zinc/47/22/71/1124472271.db2.gz ALFSRMSNDNCFOO-UHFFFAOYSA-N -1 0 345.464 3.860 20 0 EHADRM COc1ccccc1[C@H](CC(C)C)NC(=O)C1CCC(C(=O)[O-])CC1 ZINC000263571496 1124539304 /nfs/dbraw/zinc/53/93/04/1124539304.db2.gz JLRHHFNDUUVKCE-DQPZFDDXSA-N -1 0 347.455 3.790 20 0 EHADRM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)CC2(C(=O)[O-])CCC2)cc1 ZINC000263572236 1124597227 /nfs/dbraw/zinc/59/72/27/1124597227.db2.gz KQYWPOCSIMTGHR-IAGOWNOFSA-N -1 0 329.440 3.735 20 0 EHADRM CC(C)[C@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(F)cc1F ZINC000263574626 1124639378 /nfs/dbraw/zinc/63/93/78/1124639378.db2.gz NTOMKSCQAWXXJK-WQGACYEGSA-N -1 0 339.382 3.669 20 0 EHADRM O=C(COc1ccc(Cl)c(Cl)c1)[N-]OCc1ccccc1 ZINC000069303934 1124640801 /nfs/dbraw/zinc/64/08/01/1124640801.db2.gz CCNYHWJYBFAAKK-UHFFFAOYSA-N -1 0 326.179 3.620 20 0 EHADRM CC[C@H](CN(CC)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccccc1 ZINC000263577626 1124661077 /nfs/dbraw/zinc/66/10/77/1124661077.db2.gz RQQBXNZBNIFOJP-KBAYOESNSA-N -1 0 331.456 3.920 20 0 EHADRM O=S(=O)([N-]c1scnc1-c1ccccc1)c1ccccc1F ZINC000091055237 1124953086 /nfs/dbraw/zinc/95/30/86/1124953086.db2.gz JGACZNJXFWUXDK-UHFFFAOYSA-N -1 0 334.397 3.750 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2ccc3ccccc3c2)cnc1Cl ZINC000735265918 1131328094 /nfs/dbraw/zinc/32/80/94/1131328094.db2.gz PFMMUQWOEDFSLY-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM CCO[C@H](C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccccc1 ZINC000619902024 1125422091 /nfs/dbraw/zinc/42/20/91/1125422091.db2.gz ZYARKVSKSWJGAH-HNNXBMFYSA-N -1 0 333.771 3.755 20 0 EHADRM CCCN(Cc1ccc(C)cc1)C(=O)c1n[n-]c2ccccc2c1=O ZINC000735651268 1131368977 /nfs/dbraw/zinc/36/89/77/1131368977.db2.gz WBUFKZJNFIRCRC-UHFFFAOYSA-N -1 0 335.407 3.696 20 0 EHADRM Cc1cc([N-]c2nnc(-c3ccccn3)s2)nn1[C@H](C)C1CC1 ZINC000673443885 1129412035 /nfs/dbraw/zinc/41/20/35/1129412035.db2.gz ONEURWMYZABJAX-LLVKDONJSA-N -1 0 326.429 3.820 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnn(-c3ccc(C)cc3C)c2)cc1 ZINC000466429411 1129444576 /nfs/dbraw/zinc/44/45/76/1129444576.db2.gz YGDKDOUQQPVTJP-UHFFFAOYSA-N -1 0 341.436 3.598 20 0 EHADRM O=C(Nc1ccc2c(c1)OCCCO2)c1ccc2[n-]c(=S)oc2c1 ZINC000735842742 1131382950 /nfs/dbraw/zinc/38/29/50/1131382950.db2.gz YCHQNMRWPONRBH-UHFFFAOYSA-N -1 0 342.376 3.530 20 0 EHADRM Cc1ccc(-c2nnc([N-]C(=O)c3ncc(F)cc3F)s2)c(C)c1 ZINC000428918282 1129606273 /nfs/dbraw/zinc/60/62/73/1129606273.db2.gz FHMYDPOHXCGCDT-UHFFFAOYSA-N -1 0 346.362 3.747 20 0 EHADRM COc1cc2nc(C)sc2cc1[N-]S(=O)(=O)c1cccc(C)c1 ZINC000338876128 1129650310 /nfs/dbraw/zinc/65/03/10/1129650310.db2.gz OFBIHBYQTXIHDT-UHFFFAOYSA-N -1 0 348.449 3.723 20 0 EHADRM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(C)cc(C)c1OC ZINC000509102128 1129748618 /nfs/dbraw/zinc/74/86/18/1129748618.db2.gz DYLNCQCBSVGZTR-UHFFFAOYSA-N -1 0 333.453 3.984 20 0 EHADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])s1)c1ccccc1C(F)(F)F ZINC000509106579 1129752644 /nfs/dbraw/zinc/75/26/44/1129752644.db2.gz DKQIYCSMSXGGSY-MRVPVSSYSA-N -1 0 343.326 3.956 20 0 EHADRM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000028498383 1129799220 /nfs/dbraw/zinc/79/92/20/1129799220.db2.gz OVDFKEMDTGFBGB-UHFFFAOYSA-N -1 0 347.770 3.736 20 0 EHADRM CCOc1ccc(CN=c2[n-]nc(C(CC)CC)s2)cc1OC ZINC000347813936 1129865232 /nfs/dbraw/zinc/86/52/32/1129865232.db2.gz NVQOZZWBHYOHCC-UHFFFAOYSA-N -1 0 335.473 3.883 20 0 EHADRM O=C(NNc1c(Cl)cccc1Cl)c1cc(F)c([O-])c(F)c1 ZINC000186870982 1129869257 /nfs/dbraw/zinc/86/92/57/1129869257.db2.gz USURIGKXNRAVFZ-UHFFFAOYSA-N -1 0 333.121 3.734 20 0 EHADRM Cc1cccc(O)c1C(=O)N1C[C@@H](c2ccccc2Cl)OC[C@H]1C ZINC000625486588 1129902770 /nfs/dbraw/zinc/90/27/70/1129902770.db2.gz HUYPGJVLNMWCFJ-DYVFJYSZSA-N -1 0 345.826 3.956 20 0 EHADRM Nc1cc(Br)cc(Nc2ccc(C(=O)[O-])c(F)c2F)c1 ZINC001212514575 1129927568 /nfs/dbraw/zinc/92/75/68/1129927568.db2.gz ALFFXOXJVSYOER-UHFFFAOYSA-N -1 0 343.127 3.751 20 0 EHADRM COc1ccc(NS(=O)(=O)c2c(C)ccc3ncccc32)c(C)c1 ZINC000673981890 1129931119 /nfs/dbraw/zinc/93/11/19/1129931119.db2.gz OOFMXBPWGCDYTH-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM COc1cc(C)ccc1[N-]S(=O)(=O)c1c(C)ccc2ncccc21 ZINC000673982682 1129932761 /nfs/dbraw/zinc/93/27/61/1129932761.db2.gz TWJDVDIXAKGTCG-UHFFFAOYSA-N -1 0 342.420 3.661 20 0 EHADRM O=C(c1nn(-c2ccccc2F)cc1[O-])N1CCC2(CCCC2)CC1 ZINC000133355064 1129945066 /nfs/dbraw/zinc/94/50/66/1129945066.db2.gz YJERBKUMDRQFET-UHFFFAOYSA-N -1 0 343.402 3.513 20 0 EHADRM CCOC(=O)c1onc(-c2ccccc2)c1[N-]C(=O)c1cc(C)co1 ZINC001128894422 1130230665 /nfs/dbraw/zinc/23/06/65/1130230665.db2.gz UJKGCMXRNVMULH-UHFFFAOYSA-N -1 0 340.335 3.672 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccn([C@@H](C)c3ccccc3)n2)cc1 ZINC000675285720 1130299929 /nfs/dbraw/zinc/29/99/29/1130299929.db2.gz XNWNLVOHQQEHNN-HNNXBMFYSA-N -1 0 341.436 3.602 20 0 EHADRM COc1cccc([C@H]2C[C@H]2C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000676001666 1130516129 /nfs/dbraw/zinc/51/61/29/1130516129.db2.gz NGPIMCVHTSIOQR-ZIAGYGMSSA-N -1 0 345.782 3.789 20 0 EHADRM CC(C)[C@H](C(=O)N1CCC[C@H](CC(=O)[O-])C1)c1cccc(Cl)c1 ZINC000676217943 1130546728 /nfs/dbraw/zinc/54/67/28/1130546728.db2.gz FOHKEIKYARJTLE-DYVFJYSZSA-N -1 0 337.847 3.793 20 0 EHADRM CC(C)C[C@@H](NC(=O)[C@H](C)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000676217511 1130546994 /nfs/dbraw/zinc/54/69/94/1130546994.db2.gz NJMVQRCULDVTMZ-BXKDBHETSA-N -1 0 332.227 3.712 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)C[C@@H](C)CC(C)C)c1C ZINC000727952079 1130612567 /nfs/dbraw/zinc/61/25/67/1130612567.db2.gz SUPFYSNZLOAHDF-LBPRGKRZSA-N -1 0 339.501 3.797 20 0 EHADRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)c1 ZINC000731780580 1130845258 /nfs/dbraw/zinc/84/52/58/1130845258.db2.gz IHGLPFOCZNWCPE-UHFFFAOYSA-N -1 0 348.443 3.925 20 0 EHADRM Cc1ccc([C@@H]2CCCN2C(=O)c2n[n-]c3ccccc3c2=O)cc1 ZINC000731868764 1130856157 /nfs/dbraw/zinc/85/61/57/1130856157.db2.gz UEKFLMFMTXMOBU-KRWDZBQOSA-N -1 0 333.391 3.621 20 0 EHADRM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1n[n-]c2ccccc2c1=O ZINC000731895188 1130857855 /nfs/dbraw/zinc/85/78/55/1130857855.db2.gz LRMMRGKBIGMDQD-HIFRSBDPSA-N -1 0 327.428 3.670 20 0 EHADRM CC(C)CC[C@H]1CCC[C@H]1NC(=O)c1n[n-]c2ccccc2c1=O ZINC000732285027 1130909506 /nfs/dbraw/zinc/90/95/06/1130909506.db2.gz NWPYXWGXKKSAEZ-UKRRQHHQSA-N -1 0 327.428 3.670 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)c1n[n-]c2ccccc2c1=O)C1CC1 ZINC000732833618 1130961647 /nfs/dbraw/zinc/96/16/47/1130961647.db2.gz CRXSJMZTJIODQT-QGZVFWFLSA-N -1 0 333.391 3.525 20 0 EHADRM CCC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)Cc1ccccc1 ZINC000733680423 1131066924 /nfs/dbraw/zinc/06/69/24/1131066924.db2.gz QIAJIXMTRMVFEN-KRWDZBQOSA-N -1 0 337.485 3.629 20 0 EHADRM CC(C)Cc1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)c2ccccc2)cc1 ZINC000737354809 1131447583 /nfs/dbraw/zinc/44/75/83/1131447583.db2.gz GRLGDZRAXIODIE-OAHLLOKOSA-N -1 0 345.464 3.706 20 0 EHADRM CCCC[C@@H](CC)CC(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1 ZINC000737347501 1131447971 /nfs/dbraw/zinc/44/79/71/1131447971.db2.gz ISKYHZUFMVNWGR-HUUCEWRRSA-N -1 0 325.474 3.800 20 0 EHADRM CCC(CC)S(=O)(=O)[N-]C(=O)C[C@@H](C)c1ccc(C(C)C)cc1 ZINC000739186249 1131493068 /nfs/dbraw/zinc/49/30/68/1131493068.db2.gz KYUFJDNLPYHTFR-CQSZACIVSA-N -1 0 339.501 3.938 20 0 EHADRM CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000744002674 1132002829 /nfs/dbraw/zinc/00/28/29/1132002829.db2.gz VDWJUCQZMIOJEW-SNVBAGLBSA-N -1 0 337.894 3.813 20 0 EHADRM CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000744014727 1132007283 /nfs/dbraw/zinc/00/72/83/1132007283.db2.gz YPCRHQIZYQUGEC-AWEZNQCLSA-N -1 0 337.485 3.587 20 0 EHADRM O=C([N-]S(=O)(=O)c1cccc(Cl)c1)C1CCCCCCC1 ZINC000744005304 1132007573 /nfs/dbraw/zinc/00/75/73/1132007573.db2.gz FTGWLTFUZJQVOL-UHFFFAOYSA-N -1 0 329.849 3.505 20 0 EHADRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@H](C)C2)c1C ZINC000744013555 1132007799 /nfs/dbraw/zinc/00/77/99/1132007799.db2.gz WLOQAVUBXDUYTI-ZBEGNZNMSA-N -1 0 337.485 3.551 20 0 EHADRM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1)c1ccccc1 ZINC000744165161 1132030452 /nfs/dbraw/zinc/03/04/52/1132030452.db2.gz KYOQIUNRYVIHRT-CRAIPNDOSA-N -1 0 345.464 3.633 20 0 EHADRM C/C(=C\C(=O)N(CCC(=O)[O-])C1CC1)c1ccccc1C(F)(F)F ZINC000737537594 1132094898 /nfs/dbraw/zinc/09/48/98/1132094898.db2.gz SUCSPEZKTCGSCZ-ZHACJKMWSA-N -1 0 341.329 3.574 20 0 EHADRM COc1ccc(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)cc1F ZINC001173865760 1132158451 /nfs/dbraw/zinc/15/84/51/1132158451.db2.gz HSNHRRAGSXPMSE-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000745967414 1132341305 /nfs/dbraw/zinc/34/13/05/1132341305.db2.gz HSNZWKNTIRNWJJ-CYBMUJFWSA-N -1 0 329.437 3.546 20 0 EHADRM O=S(=O)([O-])c1ccc2ccc(Nc3ccnc4[nH]ccc43)cc2c1 ZINC001174411812 1132366531 /nfs/dbraw/zinc/36/65/31/1132366531.db2.gz JBFXEUQIAFHVRO-UHFFFAOYSA-N -1 0 339.376 3.658 20 0 EHADRM CN(c1cccc(/C=C/C(=O)[O-])c1)c1cc(Br)ccc1N ZINC001174499992 1132380693 /nfs/dbraw/zinc/38/06/93/1132380693.db2.gz NGRFKKDHQJJERR-VMPITWQZSA-N -1 0 347.212 3.897 20 0 EHADRM COC(=O)c1cc(Cl)cc(Nc2cccc(/C=C/C(=O)[O-])c2)c1O ZINC001174500516 1132390883 /nfs/dbraw/zinc/39/08/83/1132390883.db2.gz UGSJNARCLJHZBO-AATRIKPKSA-N -1 0 347.754 3.674 20 0 EHADRM C[C@H](C1CC1)n1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cn1 ZINC000187745079 1132431845 /nfs/dbraw/zinc/43/18/45/1132431845.db2.gz SYNHCOITRFAPJZ-CYBMUJFWSA-N -1 0 345.468 3.534 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cc(C)c(Br)cn1 ZINC001174670162 1132432283 /nfs/dbraw/zinc/43/22/83/1132432283.db2.gz HLAJTVPJCGCBDH-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM CCCOC(=O)c1ccc(Nc2ccc(C(=O)[O-])cc2OC)cc1 ZINC001174675440 1132432713 /nfs/dbraw/zinc/43/27/13/1132432713.db2.gz KNPJURVARIABJP-UHFFFAOYSA-N -1 0 329.352 3.704 20 0 EHADRM COc1cc(C(=O)[O-])ccc1Nc1cnc(OC)c(C(F)(F)F)c1 ZINC001174674946 1132432997 /nfs/dbraw/zinc/43/29/97/1132432997.db2.gz QYDFDKMQKKAFIW-UHFFFAOYSA-N -1 0 342.273 3.559 20 0 EHADRM COc1cc(Nc2nc(-c3ccncc3)cs2)ccc1C(=O)[O-] ZINC001174681743 1132434896 /nfs/dbraw/zinc/43/48/96/1132434896.db2.gz YUSBCZNOHFGVGH-UHFFFAOYSA-N -1 0 327.365 3.656 20 0 EHADRM COc1cc(Nc2cc(C)nn2-c2cccc(C)c2)ccc1C(=O)[O-] ZINC001174683397 1132435884 /nfs/dbraw/zinc/43/58/84/1132435884.db2.gz WXSQFGDBWGAKRB-UHFFFAOYSA-N -1 0 337.379 3.940 20 0 EHADRM COc1cc(Nc2cnc3cc(F)c(F)cc3c2)ccc1C(=O)[O-] ZINC001174683782 1132436046 /nfs/dbraw/zinc/43/60/46/1132436046.db2.gz DCPVDVXWHVLNEG-UHFFFAOYSA-N -1 0 330.290 3.963 20 0 EHADRM COc1cc(Nc2ccc(O)cc2Br)ccc1C(=O)[O-] ZINC001174687618 1132436564 /nfs/dbraw/zinc/43/65/64/1132436564.db2.gz ZPTZRLJRNHOFDT-UHFFFAOYSA-N -1 0 338.157 3.605 20 0 EHADRM COC(=O)CCCc1ccc(Nc2ccc(C(=O)[O-])c(OC)c2)cc1 ZINC001174686437 1132436843 /nfs/dbraw/zinc/43/68/43/1132436843.db2.gz CUDFAXBXJLNHSH-UHFFFAOYSA-N -1 0 343.379 3.633 20 0 EHADRM CCOc1n[nH]c(NC(=O)[C@@H]2CCCC[C@H]2c2cccc(Cl)c2)n1 ZINC001174744748 1132464849 /nfs/dbraw/zinc/46/48/49/1132464849.db2.gz JEHQJDHUQZSFEY-UONOGXRCSA-N -1 0 348.834 3.769 20 0 EHADRM COC(=O)Cc1ccc(Cl)c(Nc2ccc(C(=O)[O-])s2)c1 ZINC001174806384 1132478190 /nfs/dbraw/zinc/47/81/90/1132478190.db2.gz ATHAVFGYWBPMCG-UHFFFAOYSA-N -1 0 325.773 3.559 20 0 EHADRM COc1cccc(Cn2nc(C)cc2Nc2ccc(C(=O)[O-])s2)c1 ZINC001174806770 1132478421 /nfs/dbraw/zinc/47/84/21/1132478421.db2.gz DTMTYLNWHBSOBH-UHFFFAOYSA-N -1 0 343.408 3.752 20 0 EHADRM O=C([O-])c1ccc(Nc2ccccc2C(=O)Nc2cccnc2)s1 ZINC001174809597 1132480499 /nfs/dbraw/zinc/48/04/99/1132480499.db2.gz LXLDAWHPRQDYLI-UHFFFAOYSA-N -1 0 339.376 3.837 20 0 EHADRM CCOC(=O)Cc1ccc(Cl)c(Nc2ccc(C(=O)[O-])s2)c1 ZINC001174812791 1132481137 /nfs/dbraw/zinc/48/11/37/1132481137.db2.gz PGOGZMOCVRVCBL-UHFFFAOYSA-N -1 0 339.800 3.949 20 0 EHADRM O=S(=O)([O-])c1ccc(Cl)c(Nc2cccc3ncccc32)c1 ZINC001174909964 1132501699 /nfs/dbraw/zinc/50/16/99/1132501699.db2.gz ZXXUUGUMHWGNML-UHFFFAOYSA-N -1 0 334.784 3.879 20 0 EHADRM COC(=O)CCCc1ccc(Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC001174953316 1132516803 /nfs/dbraw/zinc/51/68/03/1132516803.db2.gz PXIBHZYDJYXUDV-UHFFFAOYSA-N -1 0 327.380 3.553 20 0 EHADRM COc1cc(Nc2ccc(CC(=O)[O-])cc2)ccc1-n1cnc(C)c1 ZINC001174954953 1132517459 /nfs/dbraw/zinc/51/74/59/1132517459.db2.gz VHXVQCLGTNBNQP-UHFFFAOYSA-N -1 0 337.379 3.560 20 0 EHADRM Cc1cc(N)c(Nc2ccc(CC(=O)[O-])cc2)cc1Br ZINC001174953630 1132517748 /nfs/dbraw/zinc/51/77/48/1132517748.db2.gz JCNVCOLCZJBJNP-UHFFFAOYSA-N -1 0 335.201 3.710 20 0 EHADRM CCOc1cc(F)cc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])c1 ZINC001175004510 1132526747 /nfs/dbraw/zinc/52/67/47/1132526747.db2.gz AWODPUFCRJELPG-UHFFFAOYSA-N -1 0 345.779 3.868 20 0 EHADRM COc1cc(F)cc(Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)c1 ZINC001175009629 1132528461 /nfs/dbraw/zinc/52/84/61/1132528461.db2.gz VNIYCSOKROMFSA-UHFFFAOYSA-N -1 0 347.367 3.978 20 0 EHADRM COc1cc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)ccc1C ZINC001175017743 1132531159 /nfs/dbraw/zinc/53/11/59/1132531159.db2.gz DBSUKNNVSSRCBV-UHFFFAOYSA-N -1 0 327.789 3.647 20 0 EHADRM COc1cc(Nc2cc(C(=O)[O-])ccc2C)cnc1Br ZINC001174982217 1132534923 /nfs/dbraw/zinc/53/49/23/1132534923.db2.gz WFCFCKZITGDJMA-UHFFFAOYSA-N -1 0 337.173 3.603 20 0 EHADRM Cc1nc(CN2CCC([C@H](CC(=O)[O-])c3ccccc3)CC2)cs1 ZINC000738349228 1132562142 /nfs/dbraw/zinc/56/21/42/1132562142.db2.gz MPOIBIYXXRORRT-GOSISDBHSA-N -1 0 344.480 3.922 20 0 EHADRM O=C([O-])c1ccc(Nc2ccccc2OC2CCOCC2)cc1F ZINC001175159668 1132571879 /nfs/dbraw/zinc/57/18/79/1132571879.db2.gz DHCQUEYCQXJWOA-UHFFFAOYSA-N -1 0 331.343 3.825 20 0 EHADRM CC1(C)COC(c2ccccc2Nc2ccc(F)c(C(=O)[O-])c2)=N1 ZINC001175221537 1132598715 /nfs/dbraw/zinc/59/87/15/1132598715.db2.gz GYAWXAHFVYDMJC-UHFFFAOYSA-N -1 0 328.343 3.823 20 0 EHADRM O=C([O-])c1cc(Nc2ccc3nc(C4CCC4)nn3c2)ccc1F ZINC001175221313 1132599033 /nfs/dbraw/zinc/59/90/33/1132599033.db2.gz YOEOMDSMFAOXAC-UHFFFAOYSA-N -1 0 326.331 3.578 20 0 EHADRM CCOc1cc(F)ccc1Nc1cc(S(=O)(=O)[O-])ccc1Cl ZINC001175290765 1132614514 /nfs/dbraw/zinc/61/45/14/1132614514.db2.gz NHPHVJCGOGAFLC-UHFFFAOYSA-N -1 0 345.779 3.868 20 0 EHADRM Fc1cc(NCCOc2cccc3ccccc32)cc(-c2nn[nH]n2)c1 ZINC001169015773 1132633441 /nfs/dbraw/zinc/63/34/41/1132633441.db2.gz ZYUNUIQOVAAQTL-UHFFFAOYSA-N -1 0 349.369 3.650 20 0 EHADRM Cc1cc(Nc2ccc(C(=O)[O-])c(Cl)c2)n(-c2cccnc2)n1 ZINC001175314583 1132634835 /nfs/dbraw/zinc/63/48/35/1132634835.db2.gz INIXVETVDROQGY-UHFFFAOYSA-N -1 0 328.759 3.671 20 0 EHADRM Cc1cnn(CC2CCOCC2)c1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175316267 1132636115 /nfs/dbraw/zinc/63/61/15/1132636115.db2.gz OIDCRWUMRBCFQF-UHFFFAOYSA-N -1 0 349.818 3.713 20 0 EHADRM Nc1cccc(-c2cccc(Nc3ccc(C(=O)[O-])c(Cl)c3)n2)n1 ZINC001175316997 1132636157 /nfs/dbraw/zinc/63/61/57/1132636157.db2.gz QKLZYWXBSHNLLW-UHFFFAOYSA-N -1 0 340.770 3.821 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc(OC3CCOCC3)nc2)cc1Cl ZINC001175317077 1132637319 /nfs/dbraw/zinc/63/73/19/1132637319.db2.gz SLKZJXHAFSZFBT-UHFFFAOYSA-N -1 0 348.786 3.735 20 0 EHADRM CCOC(=O)Cc1ccc(Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001175319766 1132637845 /nfs/dbraw/zinc/63/78/45/1132637845.db2.gz DQSRBEHJOKFYFI-UHFFFAOYSA-N -1 0 333.771 3.887 20 0 EHADRM CCN(CCO)c1ccc(Nc2ccc(C(=O)[O-])c(Cl)c2)c(C)c1 ZINC001175319908 1132638384 /nfs/dbraw/zinc/63/83/84/1132638384.db2.gz HOQXRKZYHPHAQX-UHFFFAOYSA-N -1 0 348.830 3.909 20 0 EHADRM CC(C)(C)OC(=O)Nc1cc(Nc2cccc(C(=O)[O-])c2)ccn1 ZINC001175328424 1132639921 /nfs/dbraw/zinc/63/99/21/1132639921.db2.gz JECAXCHSQWHZBI-UHFFFAOYSA-N -1 0 329.356 3.870 20 0 EHADRM COc1ccc2cc(NC(=O)c3s[n-]c(=O)c3Cl)ccc2c1 ZINC000804307554 1132661748 /nfs/dbraw/zinc/66/17/48/1132661748.db2.gz FZFXCFKQOUCKDV-UHFFFAOYSA-N -1 0 334.784 3.916 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1nccc(Br)c1[O-] ZINC001169382797 1132743244 /nfs/dbraw/zinc/74/32/44/1132743244.db2.gz KAQSXMWCVKSOLI-NXEZZACHSA-N -1 0 327.222 3.705 20 0 EHADRM Cc1cc2c(cc1C)N(C(=O)c1ccc(Br)cc1[O-])CC2 ZINC000804320852 1132744030 /nfs/dbraw/zinc/74/40/30/1132744030.db2.gz ZDQZDMFBHNBKOG-UHFFFAOYSA-N -1 0 346.224 3.974 20 0 EHADRM COc1cc(F)c(Nc2ccc(S(=O)(=O)[O-])cc2Cl)c(F)c1 ZINC001175724034 1132744406 /nfs/dbraw/zinc/74/44/06/1132744406.db2.gz RNDWVQQHXWPHOR-UHFFFAOYSA-N -1 0 349.742 3.617 20 0 EHADRM O=C([O-])c1cncc(Nc2ccnn2-c2ccc(C(F)(F)F)cc2)c1 ZINC001175841275 1132773098 /nfs/dbraw/zinc/77/30/98/1132773098.db2.gz XHXGISQNDROKQC-UHFFFAOYSA-N -1 0 348.284 3.728 20 0 EHADRM O=C([O-])c1cncc(Nc2c(F)ccc(Br)c2F)c1 ZINC001175843606 1132773603 /nfs/dbraw/zinc/77/36/03/1132773603.db2.gz VLBYAQREDAKQPB-UHFFFAOYSA-N -1 0 329.100 3.564 20 0 EHADRM CC(C)COc1ccc(C2(C(=O)[N-]OCC(F)(F)F)CCC2)cc1 ZINC000766770800 1132805128 /nfs/dbraw/zinc/80/51/28/1132805128.db2.gz DNQSLTJRWWVZST-UHFFFAOYSA-N -1 0 345.361 3.753 20 0 EHADRM Cc1ccccc1S(=O)(=O)[N-]C(=O)C[C@@H](c1ccccc1)C(C)C ZINC000103328724 1132824179 /nfs/dbraw/zinc/82/41/79/1132824179.db2.gz JXDAJJPDFTUPKO-QGZVFWFLSA-N -1 0 345.464 3.630 20 0 EHADRM COc1ccc(-c2nnsc2Nc2csc(C(=O)[O-])c2)cc1 ZINC001176435180 1132927802 /nfs/dbraw/zinc/92/78/02/1132927802.db2.gz KHFADTXBOZHWHA-UHFFFAOYSA-N -1 0 333.394 3.717 20 0 EHADRM COC(=O)Cc1ccc(Cl)c(Nc2csc(C(=O)[O-])c2)c1 ZINC001176441427 1132930221 /nfs/dbraw/zinc/93/02/21/1132930221.db2.gz VDLNRBDYOJMFJR-UHFFFAOYSA-N -1 0 325.773 3.559 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)/C=C(\C)c1cccc(C(F)(F)F)c1 ZINC000767051861 1132936679 /nfs/dbraw/zinc/93/66/79/1132936679.db2.gz RYXYISINDBTECY-YCABEKBOSA-N -1 0 343.345 3.868 20 0 EHADRM COc1ccccc1-c1cc(NC(=O)c2ccc(Cl)c([O-])c2)n[nH]1 ZINC001176506190 1132952630 /nfs/dbraw/zinc/95/26/30/1132952630.db2.gz CCYGUMFLXBPGQL-UHFFFAOYSA-N -1 0 343.770 3.697 20 0 EHADRM Nc1cc(Cl)nc(Cl)c1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176582480 1132960045 /nfs/dbraw/zinc/96/00/45/1132960045.db2.gz YYSUYRJHPZMCSP-UHFFFAOYSA-N -1 0 338.194 3.830 20 0 EHADRM Nc1cc(Cl)c(Cl)nc1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176586994 1132960962 /nfs/dbraw/zinc/96/09/62/1132960962.db2.gz QQMIQUDAALFZEK-UHFFFAOYSA-N -1 0 338.194 3.830 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3cnc(Br)s3)cc2)CC1 ZINC001176586739 1132961157 /nfs/dbraw/zinc/96/11/57/1132961157.db2.gz MZUMILHDKLKKQF-UHFFFAOYSA-N -1 0 339.214 3.765 20 0 EHADRM COC(Cc1ccccc1Nc1ccc(C2(C(=O)[O-])CC2)cc1)OC ZINC001176589508 1132962294 /nfs/dbraw/zinc/96/22/94/1132962294.db2.gz GVLAIUBDWSOUOI-UHFFFAOYSA-N -1 0 341.407 3.708 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3ccccc3C3OCCO3)cc2)CC1 ZINC001176589040 1132962725 /nfs/dbraw/zinc/96/27/25/1132962725.db2.gz SJKMVMKXMQORTG-UHFFFAOYSA-N -1 0 325.364 3.592 20 0 EHADRM O=C([O-])C1(c2ccc(Nc3ccc4c(c3)NC(=O)CCC4)cc2)CC1 ZINC001176589044 1132962935 /nfs/dbraw/zinc/96/29/35/1132962935.db2.gz UHLKMHIFMOHGLV-UHFFFAOYSA-N -1 0 336.391 3.821 20 0 EHADRM COc1ccc(-c2ccccn2)nc1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176591402 1132963176 /nfs/dbraw/zinc/96/31/76/1132963176.db2.gz HCGCLYFQTWTAAJ-KPKJPENVSA-N -1 0 347.374 3.994 20 0 EHADRM COC(=O)CCc1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2)cc1F ZINC001176597618 1132976544 /nfs/dbraw/zinc/97/65/44/1132976544.db2.gz OEFIJXDCKVZAQT-ONNFQVAWSA-N -1 0 343.354 3.773 20 0 EHADRM CC(C)(C)c1nc([N-]c2cc(C(=O)N3CCCCC3)ccc2F)no1 ZINC001176683351 1132982850 /nfs/dbraw/zinc/98/28/50/1132982850.db2.gz OEDQIOVDRMWHSV-UHFFFAOYSA-N -1 0 346.406 3.876 20 0 EHADRM O=C([O-])c1ccc(Nc2c(F)cccc2OC[C@H]2CCCO2)cc1 ZINC001176713541 1132995052 /nfs/dbraw/zinc/99/50/52/1132995052.db2.gz JYIHTIFBAOGIJI-CQSZACIVSA-N -1 0 331.343 3.825 20 0 EHADRM O=C([O-])c1ccc(Nc2ccc3nnc(-c4ccccc4)n3c2)cc1 ZINC001176711081 1132995160 /nfs/dbraw/zinc/99/51/60/1132995160.db2.gz YCTZZWFIXAJPHN-UHFFFAOYSA-N -1 0 330.347 3.838 20 0 EHADRM Nc1cc(Br)cc2c1ccn2-c1ccc(C(=O)[O-])cc1 ZINC001176712127 1132995437 /nfs/dbraw/zinc/99/54/37/1132995437.db2.gz APRWGNYWYQROEO-UHFFFAOYSA-N -1 0 331.169 3.673 20 0 EHADRM O=C(NCc1cc(C(F)(F)F)cc(Cl)n1)c1cc(F)ccc1O ZINC001177101606 1133030995 /nfs/dbraw/zinc/03/09/95/1133030995.db2.gz POLJEMYBYCBFCU-UHFFFAOYSA-N -1 0 348.683 3.529 20 0 EHADRM Cc1ccc(CC(=O)Nc2cc(Cl)c(C)c(Cl)c2[O-])cn1 ZINC001177250276 1133045846 /nfs/dbraw/zinc/04/58/46/1133045846.db2.gz PXMFCMARSLRSKU-UHFFFAOYSA-N -1 0 325.195 3.892 20 0 EHADRM O=C(CSc1n[n-]c(=S)s1)NCCCCC1CCCCC1 ZINC001177346736 1133059368 /nfs/dbraw/zinc/05/93/68/1133059368.db2.gz CDBFSPJWWBQUSX-UHFFFAOYSA-N -1 0 345.559 3.786 20 0 EHADRM CCOC(=O)[C@@H](CCCC(C)C)NC(=O)c1ccc(Cl)c([O-])c1 ZINC001177426251 1133060964 /nfs/dbraw/zinc/06/09/64/1133060964.db2.gz WNAMBIGRSVQZTD-CQSZACIVSA-N -1 0 341.835 3.533 20 0 EHADRM O=C(NC[C@@H]1CC2(CCC2)CO1)c1cc(Cl)c2ccccc2c1[O-] ZINC001178070711 1133130123 /nfs/dbraw/zinc/13/01/23/1133130123.db2.gz ZZGPNHZMZOGNNH-LBPRGKRZSA-N -1 0 345.826 3.888 20 0 EHADRM CC(=O)OCCCc1cccc(NC(=O)c2cccc(Cl)c2[O-])c1 ZINC000768434173 1133138406 /nfs/dbraw/zinc/13/84/06/1133138406.db2.gz YMBZYLYGHDALAA-UHFFFAOYSA-N -1 0 347.798 3.794 20 0 EHADRM CC(=O)c1cc(F)c([O-])c(NC(=O)/C=C\SCc2ccco2)c1 ZINC001178433952 1133163854 /nfs/dbraw/zinc/16/38/54/1133163854.db2.gz YODCIKMOOUBKGS-XQRVVYSFSA-N -1 0 335.356 3.713 20 0 EHADRM C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000769238854 1133248035 /nfs/dbraw/zinc/24/80/35/1133248035.db2.gz AZMGGUKUKFEGQB-SECBINFHSA-N -1 0 332.356 3.662 20 0 EHADRM CC(C)C[C@@H]([N-]C(=O)C(F)(F)C(F)(F)Cl)c1ccccn1 ZINC001179781617 1133279090 /nfs/dbraw/zinc/27/90/90/1133279090.db2.gz JEEBTBYYYPDATF-SNVBAGLBSA-N -1 0 326.721 3.752 20 0 EHADRM COc1cccc(NC(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)c1F ZINC000769730090 1133329162 /nfs/dbraw/zinc/32/91/62/1133329162.db2.gz WZGHLQDXYUUSJO-SFHVURJKSA-N -1 0 337.391 3.834 20 0 EHADRM Cc1ccc2c(c1)OCCN2C(=O)c1cccc(Br)c1[O-] ZINC000769912521 1133358686 /nfs/dbraw/zinc/35/86/86/1133358686.db2.gz IPIPSQFZPXMXBS-UHFFFAOYSA-N -1 0 348.196 3.502 20 0 EHADRM CN1CCCN(C(=O)c2c([O-])cccc2Cl)c2ccc(F)cc21 ZINC000769931171 1133368951 /nfs/dbraw/zinc/36/89/51/1133368951.db2.gz CCTUGGVEZCGDLG-UHFFFAOYSA-N -1 0 334.778 3.671 20 0 EHADRM CCc1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2O)cc1 ZINC001180516023 1133380220 /nfs/dbraw/zinc/38/02/20/1133380220.db2.gz FTSQLZJXDZUEBW-UHFFFAOYSA-N -1 0 339.313 3.991 20 0 EHADRM CCc1ccc(S(=O)(=O)[N-]c2ccc(SC(F)F)nc2)cc1 ZINC000771131566 1133515685 /nfs/dbraw/zinc/51/56/85/1133515685.db2.gz POWNHRLJQWUIGX-UHFFFAOYSA-N -1 0 344.408 3.760 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(SC(F)F)nc2)c(C)c1 ZINC000771136245 1133516743 /nfs/dbraw/zinc/51/67/43/1133516743.db2.gz QXQKGSCALNVVJU-UHFFFAOYSA-N -1 0 344.408 3.814 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1ccc(Br)nc1 ZINC000771504509 1133567062 /nfs/dbraw/zinc/56/70/62/1133567062.db2.gz LLTNUDABYISCPC-UHFFFAOYSA-N -1 0 345.555 3.595 20 0 EHADRM O=C(Nc1cc(F)cc(Cl)c1[O-])c1ccnc(Br)c1 ZINC000771512746 1133567820 /nfs/dbraw/zinc/56/78/20/1133567820.db2.gz PJQKQFRZRABSSJ-UHFFFAOYSA-N -1 0 345.555 3.595 20 0 EHADRM C[C@]12C[C@@]3(CC1=O)CC[C@@H]1[C@](C)(C(=O)[N-]C#N)CCC[C@@]1(C)[C@@H]3CC2 ZINC001182821667 1133736662 /nfs/dbraw/zinc/73/66/62/1133736662.db2.gz JIGHMWUMNZEBIS-XNRDYXSJSA-N -1 0 342.483 3.956 20 0 EHADRM O=C(Nc1ccn(-c2ccccc2Cl)n1)c1c([O-])cc(F)cc1F ZINC001182967770 1133751561 /nfs/dbraw/zinc/75/15/61/1133751561.db2.gz BLJJDNDNAGNQLF-UHFFFAOYSA-N -1 0 349.724 3.762 20 0 EHADRM Cc1cc2sc(NC(=O)c3c([O-])cc(F)cc3F)nc2cc1F ZINC001183342189 1133796523 /nfs/dbraw/zinc/79/65/23/1133796523.db2.gz ZJFIKYZNHWOHKI-UHFFFAOYSA-N -1 0 338.310 3.980 20 0 EHADRM CC(C)c1ccc(O[C@@H](C)CNC(=O)c2c([O-])cc(F)cc2F)cc1 ZINC001183415040 1133803863 /nfs/dbraw/zinc/80/38/63/1133803863.db2.gz GGAAIRYNWCNZQE-LBPRGKRZSA-N -1 0 349.377 3.991 20 0 EHADRM O=C(NCc1ccc(OC2CCCC2)cc1)c1c([O-])cc(F)cc1F ZINC001183433623 1133805461 /nfs/dbraw/zinc/80/54/61/1133805461.db2.gz UVEWJBFHZRBJRQ-UHFFFAOYSA-N -1 0 347.361 3.922 20 0 EHADRM COC(=O)c1ccc(OC)nc1-c1cc(Cl)c([O-])c(Cl)c1 ZINC001242848551 1133825103 /nfs/dbraw/zinc/82/51/03/1133825103.db2.gz ANAPRRPKMHRTBY-UHFFFAOYSA-N -1 0 328.151 3.556 20 0 EHADRM CC(C)(C)OC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2[O-])nc1 ZINC001183914510 1133876620 /nfs/dbraw/zinc/87/66/20/1133876620.db2.gz PDPWKUZHJPFWQQ-UHFFFAOYSA-N -1 0 348.786 3.648 20 0 EHADRM CCc1ncsc1[N-]S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000746597044 1133881354 /nfs/dbraw/zinc/88/13/54/1133881354.db2.gz DHLSYWKVBBTQCU-FPLPWBNLSA-N -1 0 328.846 3.772 20 0 EHADRM CCc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H](C)CCC(C)(C)C ZINC000786643547 1133885161 /nfs/dbraw/zinc/88/51/61/1133885161.db2.gz ORSUXZUUBVUHMZ-ZDUSSCGKSA-N -1 0 325.474 3.516 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2cccc(CC(C)C)c2)cc1C(=O)[O-] ZINC001184703165 1133977583 /nfs/dbraw/zinc/97/75/83/1133977583.db2.gz JNDQZSXWFRPOTR-UHFFFAOYSA-N -1 0 347.436 3.693 20 0 EHADRM CC(=O)c1c(C)c(C)[nH]c1C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001184757217 1133983416 /nfs/dbraw/zinc/98/34/16/1133983416.db2.gz UCZFQYWBYUGNOA-UHFFFAOYSA-N -1 0 340.301 3.811 20 0 EHADRM COc1ccc([N-]S(=O)(=O)c2cccnc2Cl)cc1C(C)C ZINC001184878188 1134001743 /nfs/dbraw/zinc/00/17/43/1134001743.db2.gz JUVRHGIDVGUISC-UHFFFAOYSA-N -1 0 340.832 3.668 20 0 EHADRM O=S(=O)([N-]c1nccc2cnccc21)c1cc2ccccc2s1 ZINC001185428631 1134084056 /nfs/dbraw/zinc/08/40/56/1134084056.db2.gz AWXYKHWWXHSFAB-UHFFFAOYSA-N -1 0 341.417 3.645 20 0 EHADRM CN(CCc1ccc(F)cc1)C(=O)C=C([O-])c1ccccc1Cl ZINC001185429174 1134084266 /nfs/dbraw/zinc/08/42/66/1134084266.db2.gz QYEGCNXNYYGMIR-UHFFFAOYSA-N -1 0 333.790 3.753 20 0 EHADRM O=S(=O)([N-]c1ncccc1C1CC1)c1cc2ccccc2s1 ZINC001185429057 1134084496 /nfs/dbraw/zinc/08/44/96/1134084496.db2.gz IFASOOQKVWWIOP-UHFFFAOYSA-N -1 0 330.434 3.975 20 0 EHADRM O=C(C=C([O-])c1ccccc1Cl)NCc1nccc2ccccc21 ZINC001185435859 1134086322 /nfs/dbraw/zinc/08/63/22/1134086322.db2.gz KESODODUENGYJF-UHFFFAOYSA-N -1 0 338.794 3.777 20 0 EHADRM O=C(C=C([O-])c1ccccc1Cl)N1CCC[C@@H]1c1nccs1 ZINC001185435227 1134086416 /nfs/dbraw/zinc/08/64/16/1134086416.db2.gz LGRFWZUPDPRCNB-CYBMUJFWSA-N -1 0 334.828 3.733 20 0 EHADRM Cc1cc(CO)cc([N-]S(=O)(=O)c2cc3ccccc3s2)c1 ZINC001185464208 1134093266 /nfs/dbraw/zinc/09/32/66/1134093266.db2.gz OLIQTTFYNVDKPB-UHFFFAOYSA-N -1 0 333.434 3.503 20 0 EHADRM CC(C)(C)c1coc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)n1 ZINC000788204894 1134094193 /nfs/dbraw/zinc/09/41/93/1134094193.db2.gz CRGVDDIZYNCJJM-UHFFFAOYSA-N -1 0 332.425 3.701 20 0 EHADRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C)c1 ZINC001185485322 1134097416 /nfs/dbraw/zinc/09/74/16/1134097416.db2.gz SJBFCRVUVCXFHH-UHFFFAOYSA-N -1 0 343.807 3.987 20 0 EHADRM COc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)cnc1Cl ZINC001185497197 1134098917 /nfs/dbraw/zinc/09/89/17/1134098917.db2.gz VGFZFIOXRUVSOA-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CC(C)(C)C[C@@H](NC(=O)C(=O)[N-]OC1CCCCC1)c1ccccc1 ZINC000788235401 1134103983 /nfs/dbraw/zinc/10/39/83/1134103983.db2.gz RLBKIDJLMWKDSS-QGZVFWFLSA-N -1 0 346.471 3.661 20 0 EHADRM O=S(=O)([N-]c1ccccc1-c1cccnc1)c1ccc(Cl)nc1 ZINC001185688259 1134120023 /nfs/dbraw/zinc/12/00/23/1134120023.db2.gz WLPTUXGJQNNZNW-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM Cc1cc(NC(=O)c2cccc([S-])c2)n(-c2ccccc2F)n1 ZINC001186130667 1134173349 /nfs/dbraw/zinc/17/33/49/1134173349.db2.gz VKQUIVGYKCARBZ-UHFFFAOYSA-N -1 0 327.384 3.861 20 0 EHADRM CC[C@@H](NS(=O)(=O)c1cccc(Cl)c1[O-])c1ccc(C)cc1 ZINC001186341130 1134204476 /nfs/dbraw/zinc/20/44/76/1134204476.db2.gz ULLPREGFUBYUGW-CQSZACIVSA-N -1 0 339.844 3.784 20 0 EHADRM O=S(=O)([N-]c1cn(CC2CCC2)cn1)c1csc2ccccc21 ZINC001186464111 1134224693 /nfs/dbraw/zinc/22/46/93/1134224693.db2.gz OHXKLFMHMNXGCH-UHFFFAOYSA-N -1 0 347.465 3.699 20 0 EHADRM O=C(Nc1cc(F)cc2cccnc21)c1cc(F)c(F)c([O-])c1F ZINC001186779842 1134256493 /nfs/dbraw/zinc/25/64/93/1134256493.db2.gz PCIPDBJQKFCBEC-UHFFFAOYSA-N -1 0 336.244 3.749 20 0 EHADRM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccco2)cc1C(F)(F)F ZINC001186855790 1134269673 /nfs/dbraw/zinc/26/96/73/1134269673.db2.gz GQQZVOGQTIVYLO-UHFFFAOYSA-N -1 0 349.330 3.886 20 0 EHADRM O=S(=O)([N-]c1ccc(OC(F)(F)F)cc1C1CC1)c1ccco1 ZINC001186863637 1134270124 /nfs/dbraw/zinc/27/01/24/1134270124.db2.gz QNLZZSIJUDSTJK-UHFFFAOYSA-N -1 0 347.314 3.856 20 0 EHADRM Cc1cc(Cl)nc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)c1 ZINC001187185471 1134307005 /nfs/dbraw/zinc/30/70/05/1134307005.db2.gz YUYGVWDQITZMSD-UHFFFAOYSA-N -1 0 342.873 3.785 20 0 EHADRM COc1cc(C)ccc1[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187206788 1134314368 /nfs/dbraw/zinc/31/43/68/1134314368.db2.gz KLSJLJPQSMOUDJ-UHFFFAOYSA-N -1 0 337.466 3.745 20 0 EHADRM Cc1c(S(=O)(=O)[N-]c2cnc(Cl)c(C)c2)c2ccccc2n1C ZINC000789736345 1134323020 /nfs/dbraw/zinc/32/30/20/1134323020.db2.gz YZYVZEJUHFICLR-UHFFFAOYSA-N -1 0 349.843 3.644 20 0 EHADRM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cccc3ocnc32)cc1 ZINC000790004275 1134358247 /nfs/dbraw/zinc/35/82/47/1134358247.db2.gz FEWIPFWBFDHSNN-UHFFFAOYSA-N -1 0 330.409 3.827 20 0 EHADRM C=Cc1ccc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC001188069603 1134423336 /nfs/dbraw/zinc/42/33/36/1134423336.db2.gz VFHNPYUWSGFXQK-UHFFFAOYSA-N -1 0 329.208 3.832 20 0 EHADRM O=C(NC[C@H]1CCc2ccccc21)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188598388 1134480097 /nfs/dbraw/zinc/48/00/97/1134480097.db2.gz BYHDRJYAAMEQSM-CYBMUJFWSA-N -1 0 335.325 3.871 20 0 EHADRM O=S(=O)([N-]c1cnsc1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001188720987 1134500817 /nfs/dbraw/zinc/50/08/17/1134500817.db2.gz KHZLBQPZNQQQKT-UHFFFAOYSA-N -1 0 342.751 3.616 20 0 EHADRM COc1cc(F)cc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)c1 ZINC001189385126 1134577479 /nfs/dbraw/zinc/57/74/79/1134577479.db2.gz GOBVYHQJXKTBMG-UHFFFAOYSA-N -1 0 349.358 3.927 20 0 EHADRM Cc1c(Cl)cc(NC(=O)c2ccn(C(F)F)n2)c([O-])c1Cl ZINC001189452613 1134589504 /nfs/dbraw/zinc/58/95/04/1134589504.db2.gz MVUFHKHPSZYBKO-UHFFFAOYSA-N -1 0 336.125 3.851 20 0 EHADRM O=S(=O)(Cc1cccc(F)c1F)Nc1cc(Cl)ccc1[S-] ZINC001189454065 1134590091 /nfs/dbraw/zinc/59/00/91/1134590091.db2.gz GTMKVPKBSOLINS-UHFFFAOYSA-N -1 0 349.811 3.849 20 0 EHADRM CC1(C)CCc2ccccc2[C@@H](NS(=O)(=O)c2ccccc2[O-])C1 ZINC001189570019 1134601789 /nfs/dbraw/zinc/60/17/89/1134601789.db2.gz KGLBVZUETXAUDA-INIZCTEOSA-N -1 0 345.464 3.774 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C(C)C)n2)c1 ZINC001189577864 1134602564 /nfs/dbraw/zinc/60/25/64/1134602564.db2.gz YLOARLYJFFFFPE-UHFFFAOYSA-N -1 0 340.832 3.668 20 0 EHADRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)c(F)c(C)c2)c1 ZINC001189610275 1134606557 /nfs/dbraw/zinc/60/65/57/1134606557.db2.gz GTASAQWUIQBOJC-UHFFFAOYSA-N -1 0 343.807 3.905 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)CC2CCC(C)(C)CC2)sc1C ZINC000775295484 1134617072 /nfs/dbraw/zinc/61/70/72/1134617072.db2.gz CQJHDVRYEKHDIH-UHFFFAOYSA-N -1 0 343.514 3.776 20 0 EHADRM C[C@@]12CCN(C(=O)c3ccc(Cl)c([O-])c3)C[C@@H]1C2(Cl)Cl ZINC001157653138 1134650903 /nfs/dbraw/zinc/65/09/03/1134650903.db2.gz HNPXBPQFSVTUGV-WCQYABFASA-N -1 0 334.630 3.702 20 0 EHADRM Cc1cnc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c(C)c1 ZINC001190295354 1134681682 /nfs/dbraw/zinc/68/16/82/1134681682.db2.gz CBOFTQNJGNDKRB-UHFFFAOYSA-N -1 0 348.321 3.657 20 0 EHADRM C[C@H](c1ccc(Cl)cc1Cl)S(=O)(=O)[N-]C(=O)C(C)(C)C ZINC000772792627 1134683677 /nfs/dbraw/zinc/68/36/77/1134683677.db2.gz RJIKFEHKKDWYBG-MRVPVSSYSA-N -1 0 338.256 3.547 20 0 EHADRM O=S(=O)([N-][C@H](c1ccccc1)C1CC1)c1cc(F)cc(F)c1F ZINC001190348838 1134686993 /nfs/dbraw/zinc/68/69/93/1134686993.db2.gz BMNZMHOFPLFTSP-MRXNPFEDSA-N -1 0 341.354 3.534 20 0 EHADRM Cc1cccc(C)c1[C@H](C)NS(=O)(=O)c1cc(F)cc(F)c1F ZINC001190413427 1134695719 /nfs/dbraw/zinc/69/57/19/1134695719.db2.gz TXRDJKZXBFTPAQ-NSHDSACASA-N -1 0 343.370 3.760 20 0 EHADRM CCc1cnc([N-]S(=O)(=O)c2ccc(C(C)(C)CC)cc2)cn1 ZINC001190424326 1134698347 /nfs/dbraw/zinc/69/83/47/1134698347.db2.gz YWCJIZHBFWXVIS-UHFFFAOYSA-N -1 0 333.457 3.527 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)n(CC2CCC2)n1 ZINC001190472106 1134705477 /nfs/dbraw/zinc/70/54/77/1134705477.db2.gz NQCPUDCAQFAOBR-UHFFFAOYSA-N -1 0 345.468 3.670 20 0 EHADRM COc1cccc(C(C)=O)c1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190499335 1134714582 /nfs/dbraw/zinc/71/45/82/1134714582.db2.gz BPGMQVKEEIAKEX-UHFFFAOYSA-N -1 0 345.420 3.576 20 0 EHADRM Cc1ccc(-c2cc(Nc3ccc(C(=O)[O-])cc3F)n(C)n2)cc1 ZINC001203287773 1134726211 /nfs/dbraw/zinc/72/62/11/1134726211.db2.gz GAQWYJCIQKOCMK-UHFFFAOYSA-N -1 0 325.343 3.976 20 0 EHADRM O=S(=O)([N-]c1ccc(Oc2ccc(Cl)cc2)cc1)c1ncc[nH]1 ZINC001190722591 1134742346 /nfs/dbraw/zinc/74/23/46/1134742346.db2.gz VQGMMORNQLSIFI-UHFFFAOYSA-N -1 0 349.799 3.656 20 0 EHADRM O=S(=O)([N-]c1cccc(Oc2ccc(Cl)cc2)c1)c1ncc[nH]1 ZINC001190729728 1134743897 /nfs/dbraw/zinc/74/38/97/1134743897.db2.gz MZUNSMHPHIKXBZ-UHFFFAOYSA-N -1 0 349.799 3.656 20 0 EHADRM O=c1cc(-c2nc(-c3cccc4occc43)no2)[n-]n1-c1ccccc1 ZINC001212601975 1134746817 /nfs/dbraw/zinc/74/68/17/1134746817.db2.gz AGHDGWNZWATMEQ-UHFFFAOYSA-N -1 0 344.330 3.624 20 0 EHADRM O=c1cc(-c2nc(-c3cccc(Cl)c3)no2)[n-]n1-c1ccccc1 ZINC001212602011 1134746887 /nfs/dbraw/zinc/74/68/87/1134746887.db2.gz CGYHMEBKBSADAD-UHFFFAOYSA-N -1 0 338.754 3.531 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)cc1)c1c(Cl)nc2sccn21 ZINC000000166589 1134816571 /nfs/dbraw/zinc/81/65/71/1134816571.db2.gz DIKAKYDXNMWEPA-UHFFFAOYSA-N -1 0 348.236 3.503 20 0 EHADRM CCC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C1CCC1 ZINC001191210744 1134817750 /nfs/dbraw/zinc/81/77/50/1134817750.db2.gz GAZQUULBALMQDS-LBPRGKRZSA-N -1 0 337.819 3.865 20 0 EHADRM CCCCc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2O)cc1 ZINC001191253901 1134824781 /nfs/dbraw/zinc/82/47/81/1134824781.db2.gz RVEVUWFBAFZOCB-UHFFFAOYSA-N -1 0 341.379 3.814 20 0 EHADRM CC(C)(C)[C@@H](C(=O)[O-])c1ccc(NC(=O)Nc2ccccn2)cc1 ZINC001191343587 1134846103 /nfs/dbraw/zinc/84/61/03/1134846103.db2.gz VINKYQNRIHJGMI-OAHLLOKOSA-N -1 0 327.384 3.940 20 0 EHADRM [CH2]CCNC(=O)Nc1ccc(Br)cc1Br ZINC001191550162 1134885879 /nfs/dbraw/zinc/88/58/79/1134885879.db2.gz GERIJEVPBOHKEI-UHFFFAOYSA-N -1 0 335.019 3.557 20 0 EHADRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccnn1C1CCC1 ZINC001191670360 1134897236 /nfs/dbraw/zinc/89/72/36/1134897236.db2.gz FWHKBLVPWRKNIH-UHFFFAOYSA-N -1 0 349.456 3.541 20 0 EHADRM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1nc(C)ccc1C ZINC001191662144 1134900919 /nfs/dbraw/zinc/90/09/19/1134900919.db2.gz ORPPJGHORQZNCZ-UHFFFAOYSA-N -1 0 334.441 3.631 20 0 EHADRM CC1=C(C(=O)[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)CCC1 ZINC000793351141 1134917153 /nfs/dbraw/zinc/91/71/53/1134917153.db2.gz HETJSIGOLOOHAR-UHFFFAOYSA-N -1 0 348.251 3.607 20 0 EHADRM CCCc1cc([N-]S(=O)(=O)c2ccc3cc(OC)ccc3c2)on1 ZINC001191935735 1134943331 /nfs/dbraw/zinc/94/33/31/1134943331.db2.gz CKQKQLHSJFRHCC-UHFFFAOYSA-N -1 0 346.408 3.590 20 0 EHADRM COc1ccc2cc(S(=O)(=O)[N-]c3cc(C)ccc3O)ccc2c1 ZINC001191966835 1134952732 /nfs/dbraw/zinc/95/27/32/1134952732.db2.gz ZRGQVZIKNFGKCW-UHFFFAOYSA-N -1 0 343.404 3.663 20 0 EHADRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cnc(Cl)cc1C ZINC001192304532 1135001889 /nfs/dbraw/zinc/00/18/89/1135001889.db2.gz SPRDUKXNKLTMKM-UHFFFAOYSA-N -1 0 347.223 3.506 20 0 EHADRM CC(C)(C)/C=C/C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC000794001681 1135012029 /nfs/dbraw/zinc/01/20/29/1135012029.db2.gz HGDBNFKRDWOSJS-MATWNZDUSA-N -1 0 335.831 3.569 20 0 EHADRM C[C@H](C(=O)[N-]OCc1cccnc1)c1c(Cl)cccc1Cl ZINC000747166629 1135012047 /nfs/dbraw/zinc/01/20/47/1135012047.db2.gz CWOPGQVMTZUUJG-JTQLQIEISA-N -1 0 325.195 3.740 20 0 EHADRM COCc1cc(NC(=O)C=C2CCC(C)(C)CC2)cc(C(=O)[O-])c1 ZINC000794004079 1135012586 /nfs/dbraw/zinc/01/25/86/1135012586.db2.gz YNGVDRBRMAVADS-UHFFFAOYSA-N -1 0 331.412 3.996 20 0 EHADRM Cc1ccc2c([N-]S(=O)(=O)c3cnc(Cl)c(C)c3)cccc2n1 ZINC001192571385 1135030968 /nfs/dbraw/zinc/03/09/68/1135030968.db2.gz GBDLYWIGOVPKCD-UHFFFAOYSA-N -1 0 347.827 3.701 20 0 EHADRM Cc1cc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)cc(C)c1F ZINC001192570724 1135031534 /nfs/dbraw/zinc/03/15/34/1135031534.db2.gz USJOASXQEKHZBX-UHFFFAOYSA-N -1 0 328.796 3.600 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]c2cncc(C3CCC3)c2)cnc1Cl ZINC001192534596 1135032298 /nfs/dbraw/zinc/03/22/98/1135032298.db2.gz XCTHIADUGRGZSH-UHFFFAOYSA-N -1 0 337.832 3.507 20 0 EHADRM O=C(Nc1nc2ccccc2nc1Cl)c1c(F)ccc(F)c1[O-] ZINC001192694966 1135046341 /nfs/dbraw/zinc/04/63/41/1135046341.db2.gz QOLZIASZISEDKB-UHFFFAOYSA-N -1 0 335.697 3.519 20 0 EHADRM C[C@@H](NC(=O)c1c(F)ccc(F)c1[O-])c1cccc(Cl)c1F ZINC001192716717 1135051608 /nfs/dbraw/zinc/05/16/08/1135051608.db2.gz ZYCSSWCQUIFAFC-SSDOTTSWSA-N -1 0 329.705 3.954 20 0 EHADRM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(Cl)cs2)c1 ZINC001192773703 1135052941 /nfs/dbraw/zinc/05/29/41/1135052941.db2.gz FFBWERSPYAJNOK-UHFFFAOYSA-N -1 0 331.846 3.773 20 0 EHADRM CCCOc1ccc([N-]S(=O)(=O)c2cc(CC)ccc2OC)cc1 ZINC001192805506 1135057153 /nfs/dbraw/zinc/05/71/53/1135057153.db2.gz JEFLYQDCVJOWQX-UHFFFAOYSA-N -1 0 349.452 3.847 20 0 EHADRM O=C(Nc1cnnc2ccc(Cl)cc21)c1ccc([O-])c(F)c1F ZINC001192831226 1135060169 /nfs/dbraw/zinc/06/01/69/1135060169.db2.gz CXYOPUAEGGSVJW-UHFFFAOYSA-N -1 0 335.697 3.519 20 0 EHADRM CC[C@@H](NC(=O)c1ccc([O-])c(F)c1F)c1ccc(F)c(F)c1 ZINC001192849614 1135064798 /nfs/dbraw/zinc/06/47/98/1135064798.db2.gz PCLSFAHZFRRENS-GFCCVEGCSA-N -1 0 327.277 3.830 20 0 EHADRM O=C(Nc1nc2ccccc2nc1Cl)c1cc(F)c([O-])cc1F ZINC001192852929 1135065991 /nfs/dbraw/zinc/06/59/91/1135065991.db2.gz ONFTXIMSSOYPNV-UHFFFAOYSA-N -1 0 335.697 3.519 20 0 EHADRM O=C(c1cc(Cl)nc(Cl)c1[O-])N1CCCC2(CC(F)C2)CC1 ZINC001193090985 1135093099 /nfs/dbraw/zinc/09/30/99/1135093099.db2.gz RZWGDJMOKJUWKA-UHFFFAOYSA-N -1 0 347.217 3.838 20 0 EHADRM O=C(Nc1cccc2c1OCCC2)c1cc(Cl)nc(Cl)c1[O-] ZINC001193094006 1135106345 /nfs/dbraw/zinc/10/63/45/1135106345.db2.gz PXDPHXWQWSDYSA-UHFFFAOYSA-N -1 0 339.178 3.671 20 0 EHADRM O=S(=O)(CC1CCC1)[N-]c1cc(F)ccc1OC1CCCC1 ZINC001193523373 1135151277 /nfs/dbraw/zinc/15/12/77/1135151277.db2.gz BZZTUJSTHGBVQB-UHFFFAOYSA-N -1 0 327.421 3.689 20 0 EHADRM C[C@H](CCCc1ccccc1)C(=O)Nc1nc2c(c(=O)[nH]1)CCCC2 ZINC001129759233 1135152104 /nfs/dbraw/zinc/15/21/04/1135152104.db2.gz LMBVPNYKLJRKPV-CQSZACIVSA-N -1 0 339.439 3.659 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2cnn(C(F)F)c2)c2ccccc12 ZINC001193834608 1135191097 /nfs/dbraw/zinc/19/10/97/1135191097.db2.gz QZHQIFAYDDLAPQ-UHFFFAOYSA-N -1 0 337.351 3.541 20 0 EHADRM O=S(=O)([O-])c1cccc(-c2c(F)c(Cl)cc(Cl)c2F)n1 ZINC001243752085 1135203214 /nfs/dbraw/zinc/20/32/14/1135203214.db2.gz JLHNCVVFFZJIPY-UHFFFAOYSA-N -1 0 340.134 3.580 20 0 EHADRM Cc1cc2cc(CNC(=O)c3ccc4[n-]c(=S)oc4c3)ccc2[nH]1 ZINC000804888382 1135215143 /nfs/dbraw/zinc/21/51/43/1135215143.db2.gz VBRHIHJZYIZVNV-UHFFFAOYSA-N -1 0 337.404 3.836 20 0 EHADRM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)Oc1ccc(Cl)cc1 ZINC001194033540 1135217540 /nfs/dbraw/zinc/21/75/40/1135217540.db2.gz YWYAOGVDHDFWSU-UHFFFAOYSA-N -1 0 329.743 3.842 20 0 EHADRM COCCCO[N-]C(=O)[C@@H](Sc1ccccc1F)c1ccccc1 ZINC000805040269 1135227608 /nfs/dbraw/zinc/22/76/08/1135227608.db2.gz TZQGLXDNTBHZHY-KRWDZBQOSA-N -1 0 349.427 3.743 20 0 EHADRM CC(C)Oc1ccccc1[N-]S(=O)(=O)Cc1noc2ccccc12 ZINC001194093403 1135231413 /nfs/dbraw/zinc/23/14/13/1135231413.db2.gz VTVBYQAYFWAVOD-UHFFFAOYSA-N -1 0 346.408 3.557 20 0 EHADRM O=S(=O)(Cc1noc2ccccc21)[N-]c1cccc2occc21 ZINC001194101042 1135232910 /nfs/dbraw/zinc/23/29/10/1135232910.db2.gz SXDHGJSNXBKLFM-UHFFFAOYSA-N -1 0 328.349 3.516 20 0 EHADRM COc1ccncc1[N-]S(=O)(=O)c1ccc(-c2cccs2)cc1 ZINC001194142860 1135239785 /nfs/dbraw/zinc/23/97/85/1135239785.db2.gz ZVDPOGXMBGNSCM-UHFFFAOYSA-N -1 0 346.433 3.620 20 0 EHADRM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc2c(Cl)cccc2c1 ZINC001194218089 1135246369 /nfs/dbraw/zinc/24/63/69/1135246369.db2.gz XEGXZKUQHQPEQR-UHFFFAOYSA-N -1 0 349.843 3.644 20 0 EHADRM O=C(Nc1cc(Cl)c([O-])cc1F)[C@H](O)c1ccccc1Cl ZINC000805255957 1135253806 /nfs/dbraw/zinc/25/38/06/1135253806.db2.gz FWICCSZPANRLFP-CYBMUJFWSA-N -1 0 330.142 3.510 20 0 EHADRM O=S(=O)([N-]c1cccc2ccoc21)c1ccc(C(F)(F)F)cn1 ZINC001194305004 1135254362 /nfs/dbraw/zinc/25/43/62/1135254362.db2.gz UIRDOPFKWVTFEL-UHFFFAOYSA-N -1 0 342.298 3.647 20 0 EHADRM CC(C)CCC[C@H](C)NS(=O)(=O)c1ncccc1C(F)(F)F ZINC001194586360 1135288705 /nfs/dbraw/zinc/28/87/05/1135288705.db2.gz HUSDWKZWACKKRN-NSHDSACASA-N -1 0 338.395 3.594 20 0 EHADRM O=C([O-])c1ccc(CO[C@H]2Cc3cccc(Br)c3C2)cc1 ZINC001205680984 1135342989 /nfs/dbraw/zinc/34/29/89/1135342989.db2.gz OYSFAJCUWRZNMT-AWEZNQCLSA-N -1 0 347.208 3.831 20 0 EHADRM Cc1cc(S(=O)(=O)[N-]C(=O)CCCCC(C)(C)C)sc1C ZINC000805907925 1135347488 /nfs/dbraw/zinc/34/74/88/1135347488.db2.gz BDMNHKVDPUAZPY-UHFFFAOYSA-N -1 0 331.503 3.776 20 0 EHADRM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCCCC(C)(C)C ZINC000805885583 1135351372 /nfs/dbraw/zinc/35/13/72/1135351372.db2.gz ZJKKEGJNTXPYRJ-CQSZACIVSA-N -1 0 325.474 3.800 20 0 EHADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cc2ccccc2cn1 ZINC001195276820 1135403732 /nfs/dbraw/zinc/40/37/32/1135403732.db2.gz WIMPQQWWNLTKOF-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM C=Cc1ccc(CNC(=O)c2c([O-])c(F)c(F)c(F)c2F)cc1 ZINC001195310586 1135411682 /nfs/dbraw/zinc/41/16/82/1135411682.db2.gz BMDRFILHQNTJMA-UHFFFAOYSA-N -1 0 325.261 3.522 20 0 EHADRM CC(C)OCc1ccccc1CNC(=O)c1cccc(Cl)c1[O-] ZINC000775656813 1135429641 /nfs/dbraw/zinc/42/96/41/1135429641.db2.gz NEDQDTOCSIWPKK-UHFFFAOYSA-N -1 0 333.815 3.901 20 0 EHADRM CCOC(=O)NC(=S)Nc1cc(F)ccc1OCC(C)(C)C ZINC001195492378 1135432850 /nfs/dbraw/zinc/43/28/50/1135432850.db2.gz KPEIXGGBTLHNGB-UHFFFAOYSA-N -1 0 328.409 3.694 20 0 EHADRM CCOC([O-])=NC(=S)N=c1cc(C(F)(F)F)cc2[nH]cccc1-2 ZINC001195492901 1135433079 /nfs/dbraw/zinc/43/30/79/1135433079.db2.gz QGQRINAUZGOUSD-UHFFFAOYSA-N -1 0 343.330 3.697 20 0 EHADRM CCOC(=O)NC(=S)Nc1cccc(F)c1OC1CCCCC1 ZINC001195492153 1135433155 /nfs/dbraw/zinc/43/31/55/1135433155.db2.gz CWTUODJGHMFGBS-UHFFFAOYSA-N -1 0 340.420 3.980 20 0 EHADRM CCOC(=O)c1csc(/C=C\c2cccc(C(=O)[O-])c2Cl)n1 ZINC000806563611 1135461025 /nfs/dbraw/zinc/46/10/25/1135461025.db2.gz VERTXSQOQFOCRE-SREVYHEPSA-N -1 0 337.784 3.842 20 0 EHADRM Cc1nc(F)ccc1/C=C\c1nc(C(=O)[O-])c(Br)s1 ZINC000806564987 1135461467 /nfs/dbraw/zinc/46/14/67/1135461467.db2.gz IERPMLGQDPQVPQ-HYXAFXHYSA-N -1 0 343.177 3.617 20 0 EHADRM Cc1c(=O)[n-]n(-c2ccccc2)c1NC(=S)Nc1ccccc1F ZINC001195803271 1135472648 /nfs/dbraw/zinc/47/26/48/1135472648.db2.gz BPXRTYRMDORUOK-UHFFFAOYSA-N -1 0 342.399 3.834 20 0 EHADRM CC(C)(C)CCC(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000121430006 1135484388 /nfs/dbraw/zinc/48/43/88/1135484388.db2.gz GGEVZLIWYJLTCG-UHFFFAOYSA-N -1 0 338.256 3.625 20 0 EHADRM O=C([N-]OCc1ccccc1)C(=O)Nc1cccc(-c2ccccc2)c1 ZINC000806855863 1135499901 /nfs/dbraw/zinc/49/99/01/1135499901.db2.gz AFHPFCVBLGYSBF-UHFFFAOYSA-N -1 0 346.386 3.540 20 0 EHADRM Cc1cc2ccccc2cc1[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC001196247177 1135535501 /nfs/dbraw/zinc/53/55/01/1135535501.db2.gz ZXCLKDANNPGFIB-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM CCCCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)cn2)cc1 ZINC001196237253 1135538948 /nfs/dbraw/zinc/53/89/48/1135538948.db2.gz NWBMVTWUBJDWCR-UHFFFAOYSA-N -1 0 340.832 3.715 20 0 EHADRM O=S(=O)([N-]c1ccccc1-c1ccccn1)c1ccc(Cl)cn1 ZINC001196244230 1135540162 /nfs/dbraw/zinc/54/01/62/1135540162.db2.gz JQLPATMMRCQMRT-UHFFFAOYSA-N -1 0 345.811 3.598 20 0 EHADRM O=S(=O)([N-]c1ccc2c3c(cccc31)CC2)c1ccc(Cl)cn1 ZINC001196245745 1135540953 /nfs/dbraw/zinc/54/09/53/1135540953.db2.gz RUWBFTMSDOFJEI-UHFFFAOYSA-N -1 0 344.823 3.788 20 0 EHADRM Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2[S-])c(F)c1 ZINC001196382918 1135553145 /nfs/dbraw/zinc/55/31/45/1135553145.db2.gz JOYWMMNGZQEDHJ-UHFFFAOYSA-N -1 0 331.821 3.877 20 0 EHADRM CCCc1nc2ccc(NC(=O)c3cc(Cl)ncc3[O-])cc2o1 ZINC001196395386 1135554753 /nfs/dbraw/zinc/55/47/53/1135554753.db2.gz FYCOBCBVPQNUJL-UHFFFAOYSA-N -1 0 331.759 3.787 20 0 EHADRM O=C(Nc1ccccc1-c1nccs1)c1cc(Cl)ncc1[O-] ZINC001196397123 1135555698 /nfs/dbraw/zinc/55/56/98/1135555698.db2.gz XJEGFVZJQICMFO-UHFFFAOYSA-N -1 0 331.784 3.816 20 0 EHADRM COc1ncccc1[N-]S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC001196412706 1135560017 /nfs/dbraw/zinc/56/00/17/1135560017.db2.gz PRAUHVNWXOQUTJ-UHFFFAOYSA-N -1 0 348.811 3.698 20 0 EHADRM C[C@@H](NC(=O)c1cccc(Cl)c1[O-])c1nccn1-c1ccccc1 ZINC000807808040 1135572594 /nfs/dbraw/zinc/57/25/94/1135572594.db2.gz BXCPINIBURIMOU-GFCCVEGCSA-N -1 0 341.798 3.722 20 0 EHADRM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1ccc(Cl)nc1C ZINC000808111019 1135618770 /nfs/dbraw/zinc/61/87/70/1135618770.db2.gz LXZCRKBJEFEMJI-UHFFFAOYSA-N -1 0 335.816 3.634 20 0 EHADRM CC[C@@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)c1ncccc1C ZINC001197129434 1135648284 /nfs/dbraw/zinc/64/82/84/1135648284.db2.gz YOZVKPIIMIAJKB-CQSZACIVSA-N -1 0 329.425 3.526 20 0 EHADRM CCOc1ccc([C@@H](C)NC(=S)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001197140124 1135649489 /nfs/dbraw/zinc/64/94/89/1135649489.db2.gz OANXTUZYAKRYGA-GFCCVEGCSA-N -1 0 344.436 3.831 20 0 EHADRM O=S(=O)(/C=C/c1ccccc1Cl)[N-][C@H](C1CC1)C(F)(F)F ZINC000808328498 1135653185 /nfs/dbraw/zinc/65/31/85/1135653185.db2.gz QMJICAIXVMKZNM-ABZNLYFFSA-N -1 0 339.766 3.571 20 0 EHADRM O=C([O-])c1ccc(NC(=S)NC2(Cc3ccc(F)cc3)CC2)cc1 ZINC001197148581 1135654612 /nfs/dbraw/zinc/65/46/12/1135654612.db2.gz ZIIGFNXTKGGPBY-UHFFFAOYSA-N -1 0 344.411 3.586 20 0 EHADRM Cc1ccc(-c2nc(CNC(=O)c3cccc(Cl)c3[O-])co2)cc1 ZINC000775764839 1135667894 /nfs/dbraw/zinc/66/78/94/1135667894.db2.gz UTRDAKRPWHLGAL-UHFFFAOYSA-N -1 0 342.782 3.939 20 0 EHADRM Cc1nc(-c2ccc(C)c(NC(=O)c3cccc(Cl)c3[O-])c2)n[nH]1 ZINC000775769173 1135677145 /nfs/dbraw/zinc/67/71/45/1135677145.db2.gz HYAZDMJKPCLYSA-UHFFFAOYSA-N -1 0 342.786 3.700 20 0 EHADRM C[C@H](NC(=O)c1cccc(Cl)c1[O-])c1noc(-c2ccccc2)n1 ZINC000775772312 1135686739 /nfs/dbraw/zinc/68/67/39/1135686739.db2.gz BFLBYJSIPREKPU-JTQLQIEISA-N -1 0 343.770 3.587 20 0 EHADRM C[C@H]1CN(C(=O)c2cccc(Cl)c2[O-])C[C@@H](c2ccsc2)O1 ZINC000775772520 1135687101 /nfs/dbraw/zinc/68/71/01/1135687101.db2.gz FPBRTJNPSYNWSJ-HZMBPMFUSA-N -1 0 337.828 3.709 20 0 EHADRM COc1cc(-c2nc3ccccc3n2C)c(O)cc1Br ZINC001251478799 1135701702 /nfs/dbraw/zinc/70/17/02/1135701702.db2.gz ABSLUCMSSDKSQX-UHFFFAOYSA-N -1 0 333.185 3.717 20 0 EHADRM Cc1ncc([N-]S(=O)(=O)Cc2cccc(Cl)c2Cl)s1 ZINC001197726786 1135730748 /nfs/dbraw/zinc/73/07/48/1135730748.db2.gz YGQVUWJBWBOMOU-UHFFFAOYSA-N -1 0 337.253 3.700 20 0 EHADRM Cc1ccnc(S(=O)(=O)[N-]c2cc(-c3ccccc3)cs2)c1 ZINC001197964349 1135758315 /nfs/dbraw/zinc/75/83/15/1135758315.db2.gz BLJXBEPQUYACCU-UHFFFAOYSA-N -1 0 330.434 3.919 20 0 EHADRM [O-]C(=NOC1CCCC1)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000775825252 1135782053 /nfs/dbraw/zinc/78/20/53/1135782053.db2.gz QNFOKXRADNMDFH-UHFFFAOYSA-N -1 0 338.820 3.854 20 0 EHADRM Cc1cc(C)c([N-]S(=O)(=O)c2cccc(Cl)n2)c(Cl)c1 ZINC001198232653 1135789657 /nfs/dbraw/zinc/78/96/57/1135789657.db2.gz DLPYNQQSOIWFSH-UHFFFAOYSA-N -1 0 331.224 3.806 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cn1 ZINC001198314030 1135799034 /nfs/dbraw/zinc/79/90/34/1135799034.db2.gz MGRZXUBXGILOHO-UHFFFAOYSA-N -1 0 340.404 3.983 20 0 EHADRM Cc1ccc2ccccc2c1NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198730800 1135849365 /nfs/dbraw/zinc/84/93/65/1135849365.db2.gz WUOXRBMZBWVMAV-UHFFFAOYSA-N -1 0 341.388 3.647 20 0 EHADRM O=S(=O)([N-]c1cn2c(cccc2Cl)n1)c1ccc2occc2c1 ZINC001198828051 1135857143 /nfs/dbraw/zinc/85/71/43/1135857143.db2.gz BCLRUXSQMVCIMX-UHFFFAOYSA-N -1 0 347.783 3.535 20 0 EHADRM O=S(=O)([N-]c1csc2ncccc12)c1ccc2occc2c1 ZINC001198831361 1135857988 /nfs/dbraw/zinc/85/79/88/1135857988.db2.gz UNWZVQAQAMLADX-UHFFFAOYSA-N -1 0 330.390 3.843 20 0 EHADRM O=C(NCc1cn(C(F)F)c2ccccc12)c1cccc(F)c1[O-] ZINC001131962176 1135905909 /nfs/dbraw/zinc/90/59/09/1135905909.db2.gz NKZTXMVOIOZOIA-UHFFFAOYSA-N -1 0 334.297 3.811 20 0 EHADRM O=c1ccn(-c2ccc(NCc3ccc(OC(F)F)cc3F)cc2)[n-]1 ZINC001203321225 1135906269 /nfs/dbraw/zinc/90/62/69/1135906269.db2.gz UWXLIXZNXGFMDQ-UHFFFAOYSA-N -1 0 349.312 3.931 20 0 EHADRM COc1cnc(C(=O)Nc2ccc3[n-]c(=S)sc3c2)c(C)c1 ZINC001199756912 1135926556 /nfs/dbraw/zinc/92/65/56/1135926556.db2.gz VZHIGNCBARGWAV-UHFFFAOYSA-N -1 0 331.422 3.549 20 0 EHADRM Cc1cc(C)cc(-c2nnc(NC([O-])=NOC/C=C/Cl)s2)c1 ZINC000810206477 1135943066 /nfs/dbraw/zinc/94/30/66/1135943066.db2.gz OLXSURGTSMXFON-ONEGZZNKSA-N -1 0 338.820 3.628 20 0 EHADRM C[C@@H](NS(=O)(=O)c1cc(Cl)c(Cl)cc1F)C(C)(C)C ZINC001201275585 1136002991 /nfs/dbraw/zinc/00/29/91/1136002991.db2.gz BFBXOCBYNDAJFP-SSDOTTSWSA-N -1 0 328.236 3.845 20 0 EHADRM Cc1ccccc1Oc1cccc(S(=O)(=O)[N-]c2ccon2)c1 ZINC001201571548 1136042261 /nfs/dbraw/zinc/04/22/61/1136042261.db2.gz PYTJNKXVUSWKTM-UHFFFAOYSA-N -1 0 330.365 3.576 20 0 EHADRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1ccc2sncc2c1 ZINC001201764707 1136061417 /nfs/dbraw/zinc/06/14/17/1136061417.db2.gz IQRGBIFLTFJUOW-UHFFFAOYSA-N -1 0 345.858 3.515 20 0 EHADRM CC(=O)c1ncccc1[N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC001201793147 1136062913 /nfs/dbraw/zinc/06/29/13/1136062913.db2.gz YSPSQTXEZQHOHM-UHFFFAOYSA-N -1 0 346.452 3.627 20 0 EHADRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cccn3ccnc23)c(C)c1C ZINC001201792934 1136063039 /nfs/dbraw/zinc/06/30/39/1136063039.db2.gz WIUCESZQQJQBNX-UHFFFAOYSA-N -1 0 343.452 3.677 20 0 EHADRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2noc3cccnc23)c(C)c1C ZINC001201790196 1136066957 /nfs/dbraw/zinc/06/69/57/1136066957.db2.gz YKAHYQYPLXBUNP-UHFFFAOYSA-N -1 0 345.424 3.566 20 0 EHADRM O=C(Nc1cc(=O)[n-]c(Cl)n1)Nc1ccc(Cl)cc1Cl ZINC001202075381 1136095681 /nfs/dbraw/zinc/09/56/81/1136095681.db2.gz TZIYVBYJLALGTH-UHFFFAOYSA-N -1 0 333.562 3.786 20 0 EHADRM Cc1c(Cl)nccc1[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000811836139 1136142977 /nfs/dbraw/zinc/14/29/77/1136142977.db2.gz FMMNPYOZKBYANM-UHFFFAOYSA-N -1 0 332.812 3.997 20 0 EHADRM O=C([O-])c1ccc(Cl)c(C(=O)NCC2(c3ccc(F)cc3)CC2)c1 ZINC000811816570 1136144445 /nfs/dbraw/zinc/14/44/45/1136144445.db2.gz YSHONPROWQQCJN-UHFFFAOYSA-N -1 0 347.773 3.639 20 0 EHADRM Cn1nc([N-]c2nn3cc(-c4ccccc4)nc3s2)cc1C1CC1 ZINC000811849363 1136150386 /nfs/dbraw/zinc/15/03/86/1136150386.db2.gz DJHBHJZSCCGNNQ-UHFFFAOYSA-N -1 0 336.424 3.812 20 0 EHADRM Cc1nc2cc([N-]S(=O)(=O)c3ccc(F)cc3F)ccc2s1 ZINC000107445815 1136169277 /nfs/dbraw/zinc/16/92/77/1136169277.db2.gz SDEWOIDANNRHLV-UHFFFAOYSA-N -1 0 340.376 3.684 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)c2ccnc(C(F)(F)F)c2)c1 ZINC000812703633 1136235267 /nfs/dbraw/zinc/23/52/67/1136235267.db2.gz FQVBKWMYKGMIFI-UHFFFAOYSA-N -1 0 338.285 3.651 20 0 EHADRM CC(C)COc1ccc(C2(C(=O)[N-]OCCOC(C)C)CCC2)cc1 ZINC000812807722 1136254436 /nfs/dbraw/zinc/25/44/36/1136254436.db2.gz IKXQKBLNBVQCJV-UHFFFAOYSA-N -1 0 349.471 3.616 20 0 EHADRM O=S(=O)([N-]c1ccc(Cl)c(OC(F)(F)F)c1)C(F)(F)F ZINC001252355634 1136308162 /nfs/dbraw/zinc/30/81/62/1136308162.db2.gz VQMJFOIBXZIMKO-UHFFFAOYSA-N -1 0 343.632 3.500 20 0 EHADRM CC(C)(C)CCS(=O)(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC000776518611 1136349223 /nfs/dbraw/zinc/34/92/23/1136349223.db2.gz RYSIRTJNTQOOGL-UHFFFAOYSA-N -1 0 335.425 3.716 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@@H](C)c1ccccc1 ZINC000814017583 1136386559 /nfs/dbraw/zinc/38/65/59/1136386559.db2.gz ZQWNERGKPVRZJZ-QAPCUYQASA-N -1 0 345.464 3.778 20 0 EHADRM CCC(CC)[C@@H](C)C(=O)[N-]S(=O)(=O)[C@@H](CC)c1ccccc1 ZINC000814018115 1136387113 /nfs/dbraw/zinc/38/71/13/1136387113.db2.gz JJXJGIBCRNPCKM-CJNGLKHVSA-N -1 0 325.474 3.656 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCCC(C)(C)C ZINC000814020096 1136387260 /nfs/dbraw/zinc/38/72/60/1136387260.db2.gz IXKBRJHYMKQGGA-OAHLLOKOSA-N -1 0 325.474 3.800 20 0 EHADRM CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(C)cc1C ZINC000814020760 1136387312 /nfs/dbraw/zinc/38/73/12/1136387312.db2.gz MTLNAMVQIYAVMU-QGZVFWFLSA-N -1 0 331.437 3.514 20 0 EHADRM CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H](C)c1ccccc1F ZINC000814023478 1136387451 /nfs/dbraw/zinc/38/74/51/1136387451.db2.gz XWSIQIZZHJLDBX-GUYCJALGSA-N -1 0 349.427 3.527 20 0 EHADRM Cc1ccccc1C1(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CCC1 ZINC000851597824 1136395254 /nfs/dbraw/zinc/39/52/54/1136395254.db2.gz BBTZYKAZAPBRHL-UHFFFAOYSA-N -1 0 327.355 3.893 20 0 EHADRM Cc1ccccc1C1CCN(C(=O)c2ccc(/C=C/C(=O)[O-])o2)CC1 ZINC000851596395 1136395504 /nfs/dbraw/zinc/39/55/04/1136395504.db2.gz RULRRULXWZOBCT-VQHVLOKHSA-N -1 0 339.391 3.706 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(C2CC2)cc1)c1ccc(F)cc1F ZINC000851600414 1136395695 /nfs/dbraw/zinc/39/56/95/1136395695.db2.gz MAIGPRWWZOGQFB-QGZVFWFLSA-N -1 0 345.345 3.788 20 0 EHADRM CC(C)c1ccccc1C(=O)N[C@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000851607038 1136396091 /nfs/dbraw/zinc/39/60/91/1136396091.db2.gz UWEVANSZSHHPCM-DNVCBOLYSA-N -1 0 339.435 3.872 20 0 EHADRM CCCN(C)C(=O)N[C@H](CC(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000776595961 1136458129 /nfs/dbraw/zinc/45/81/29/1136458129.db2.gz IZUYNTBJLQSVBU-GFCCVEGCSA-N -1 0 333.215 3.561 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1C ZINC000776630089 1136491685 /nfs/dbraw/zinc/49/16/85/1136491685.db2.gz AIGKJLYRIWQDFM-UHFFFAOYSA-N -1 0 345.370 3.938 20 0 EHADRM CC(C)(C)c1ccc(OCCCC(=O)N[C@@H](CC(=O)[O-])C2CC2)cc1 ZINC000776630409 1136491766 /nfs/dbraw/zinc/49/17/66/1136491766.db2.gz VJYOYNHEHXBBOD-KRWDZBQOSA-N -1 0 347.455 3.513 20 0 EHADRM Cc1cccc(C)c1OCCO[N-]C(=O)C(C)(C)c1ccccc1 ZINC000111040932 1136504124 /nfs/dbraw/zinc/50/41/24/1136504124.db2.gz JPKPDZYJWLLTOU-UHFFFAOYSA-N -1 0 327.424 3.708 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(Cl)s1)c1ccc(F)cc1F ZINC000776657582 1136527199 /nfs/dbraw/zinc/52/71/99/1136527199.db2.gz PXFYHFBZFWNNMZ-JTQLQIEISA-N -1 0 345.754 3.626 20 0 EHADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)/C=C\c1ccc(Cl)cc1 ZINC000776673091 1136528970 /nfs/dbraw/zinc/52/89/70/1136528970.db2.gz MDGFOEQYLPUDLH-NLZINVLXSA-N -1 0 343.810 3.994 20 0 EHADRM CC(C)C[C@H](C)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000776663139 1136530861 /nfs/dbraw/zinc/53/08/61/1136530861.db2.gz XIMVOSKDBOBNPA-NHYWBVRUSA-N -1 0 327.371 3.669 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(-c2ccc(F)cc2)n1C ZINC000776680458 1136536835 /nfs/dbraw/zinc/53/68/35/1136536835.db2.gz FUJNVIKFXSPOHR-UHFFFAOYSA-N -1 0 346.402 3.595 20 0 EHADRM CCCCC[C@@](C)(CC)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000781441691 1136609030 /nfs/dbraw/zinc/60/90/30/1136609030.db2.gz FREOCWKCOHDMGT-MRXNPFEDSA-N -1 0 329.437 3.627 20 0 EHADRM CN(CCOc1ccccc1)C(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001135238453 1136641604 /nfs/dbraw/zinc/64/16/04/1136641604.db2.gz BZQWKMQHQORVDE-UHFFFAOYSA-N -1 0 340.206 3.850 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H](C)C(C)(C)C ZINC000816107803 1136670927 /nfs/dbraw/zinc/67/09/27/1136670927.db2.gz QZRIFENQEVXDAR-DZGCQCFKSA-N -1 0 325.474 3.512 20 0 EHADRM Cc1cc(F)ccc1C(=O)[N-]S(=O)(=O)[C@H](c1ccccc1)C(C)C ZINC000816107777 1136671236 /nfs/dbraw/zinc/67/12/36/1136671236.db2.gz QBOVUZOOIBJZDS-KRWDZBQOSA-N -1 0 349.427 3.591 20 0 EHADRM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H]1C[C@]1(C)C(C)C ZINC000816108857 1136677191 /nfs/dbraw/zinc/67/71/91/1136677191.db2.gz PVEMANUQVYMFSK-JFIYKMOQSA-N -1 0 337.485 3.512 20 0 EHADRM CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C(F)=C1CCCC1 ZINC000816110844 1136677717 /nfs/dbraw/zinc/67/77/17/1136677717.db2.gz JZUXSPQTESODQX-INIZCTEOSA-N -1 0 339.432 3.627 20 0 EHADRM CCn1c2ccccc2nc1NC(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000816837493 1136756125 /nfs/dbraw/zinc/75/61/25/1136756125.db2.gz WKCDWPJVSXIUGD-UHFFFAOYSA-N -1 0 338.392 3.738 20 0 EHADRM CC(C)(C)c1nnc([N-]C(=O)c2snc(Cl)c2Cl)s1 ZINC000816895038 1136762576 /nfs/dbraw/zinc/76/25/76/1136762576.db2.gz AEYHXHVTTRHTEL-UHFFFAOYSA-N -1 0 337.257 3.851 20 0 EHADRM COc1cccc(Cl)c1CNC(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000816973000 1136768787 /nfs/dbraw/zinc/76/87/87/1136768787.db2.gz CYGFRMNRGIDJJV-UHFFFAOYSA-N -1 0 348.811 3.709 20 0 EHADRM CCCCC[C@@H]1CCCCN1C(=O)c1n[n-]c2ccccc2c1=O ZINC000856270357 1136771092 /nfs/dbraw/zinc/77/10/92/1136771092.db2.gz LSTWXVPYTVSBCF-CQSZACIVSA-N -1 0 327.428 3.910 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC000114617186 1136813559 /nfs/dbraw/zinc/81/35/59/1136813559.db2.gz BIWARZOPVRAVGD-UJGDBWEASA-N -1 0 335.469 3.710 20 0 EHADRM Cc1cccnc1-n1[n-]c(-c2ccc(Br)cc2)cc1=O ZINC001245915524 1136924899 /nfs/dbraw/zinc/92/48/99/1136924899.db2.gz XVVSEFWNGWVXST-UHFFFAOYSA-N -1 0 330.185 3.711 20 0 EHADRM Cc1ccc(-c2cc(=O)n(-c3cncc(Br)c3)[n-]2)s1 ZINC001245946875 1136955411 /nfs/dbraw/zinc/95/54/11/1136955411.db2.gz NFDRKIDGCCYWKG-UHFFFAOYSA-N -1 0 336.214 3.772 20 0 EHADRM CON(C(=O)c1cc(F)c(F)c([O-])c1F)[C@@H](C)c1ccccc1C ZINC000820040595 1136974295 /nfs/dbraw/zinc/97/42/95/1136974295.db2.gz YTOSCRVOMUYPOV-JTQLQIEISA-N -1 0 339.313 3.883 20 0 EHADRM CC(C)(NC(=O)c1ccc2[n-]c(=S)oc2c1)C(=O)c1ccccc1 ZINC000820205502 1136980658 /nfs/dbraw/zinc/98/06/58/1136980658.db2.gz XQBVVHYTSNNTQV-UHFFFAOYSA-N -1 0 340.404 3.508 20 0 EHADRM CCOC(=O)C(CC)(CC)NC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001159807559 1136987112 /nfs/dbraw/zinc/98/71/12/1136987112.db2.gz FEKGDYQRCVGGDA-UHFFFAOYSA-N -1 0 348.226 3.551 20 0 EHADRM CC[C@]1(C)CCN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])C1 ZINC000820842085 1137008054 /nfs/dbraw/zinc/00/80/54/1137008054.db2.gz AWCQXMKMEDBXNM-LJQANCHMSA-N -1 0 327.380 3.727 20 0 EHADRM CC(C)[C@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[O-])CCCO1 ZINC000820846199 1137008302 /nfs/dbraw/zinc/00/83/02/1137008302.db2.gz OPRUPNFGVDPUFC-CYBMUJFWSA-N -1 0 332.227 3.586 20 0 EHADRM CCCC[C@H](NC(=O)/C=C\c1ccc2cc(OC)ccc2c1)C(=O)[O-] ZINC000821748576 1137037351 /nfs/dbraw/zinc/03/73/51/1137037351.db2.gz SLXNOANAFIDKJP-VTSXBNNFSA-N -1 0 341.407 3.621 20 0 EHADRM O=C(CC(C1CCC1)C1CCC1)[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000860448855 1137060586 /nfs/dbraw/zinc/06/05/86/1137060586.db2.gz MPXCGOFPAKRCHX-SEYXRHQNSA-N -1 0 347.480 3.710 20 0 EHADRM O=C(c1cccc(F)c1[O-])N1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000822710371 1137071605 /nfs/dbraw/zinc/07/16/05/1137071605.db2.gz NJDUTEYGSBJCTP-GOSISDBHSA-N -1 0 341.382 3.525 20 0 EHADRM CCC[C@H]1CCCC[C@@H]1NC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC001136622736 1137072141 /nfs/dbraw/zinc/07/21/41/1137072141.db2.gz RIXZOAQEXASOLT-HOCLYGCPSA-N -1 0 327.428 3.667 20 0 EHADRM CC1(C)CCc2onc(C(=O)Nc3cc(Cl)c([O-])cc3F)c2C1 ZINC000822921186 1137079446 /nfs/dbraw/zinc/07/94/46/1137079446.db2.gz BVVMTADYAWJALF-UHFFFAOYSA-N -1 0 338.766 3.940 20 0 EHADRM CCC(=O)c1ccc([O-])c(NC(=O)Cc2csc(C3CC3)n2)c1 ZINC000823066732 1137084827 /nfs/dbraw/zinc/08/48/27/1137084827.db2.gz CBWVWEJFLLTEAK-UHFFFAOYSA-N -1 0 330.409 3.500 20 0 EHADRM CCCCCC[C@](C)(NC(=O)c1cccc([C@H]2CCOC2)c1)C(=O)[O-] ZINC000823328693 1137095329 /nfs/dbraw/zinc/09/53/29/1137095329.db2.gz ZKOSFVHQKSMLBT-PXNSSMCTSA-N -1 0 347.455 3.734 20 0 EHADRM C/C(=C/C(=O)Nc1cccc(-n2ncc(C(=O)[O-])c2C)c1)C(C)(C)C ZINC000823329392 1137095562 /nfs/dbraw/zinc/09/55/62/1137095562.db2.gz SNLAGKYJBDZIEM-XFXZXTDPSA-N -1 0 341.411 3.810 20 0 EHADRM CCCCCCOc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC000823340749 1137095653 /nfs/dbraw/zinc/09/56/53/1137095653.db2.gz RQPBVMDNJKABNG-MAUKXSAKSA-N -1 0 347.455 3.829 20 0 EHADRM CCn1cc(N(CC(C)C)C(=O)c2ccc3[n-]c(=S)oc3c2)cn1 ZINC000823429698 1137099173 /nfs/dbraw/zinc/09/91/73/1137099173.db2.gz DVRGDLGUBZPUNW-UHFFFAOYSA-N -1 0 344.440 3.636 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)c1c[n-]ncc1=O)[C@@H]1CCC[C@H](C)C1 ZINC001136731808 1137104130 /nfs/dbraw/zinc/10/41/30/1137104130.db2.gz HRQIQPUBASKSBW-ZBQZNYHESA-N -1 0 339.439 3.788 20 0 EHADRM Cc1ccccc1[C@H]1CN(C(=O)c2ccc(Cl)c([O-])c2)[C@H](C)CO1 ZINC001136831881 1137127385 /nfs/dbraw/zinc/12/73/85/1137127385.db2.gz VHRGEVOMIROFHY-FZKQIMNGSA-N -1 0 345.826 3.956 20 0 EHADRM CCOc1ccc(NC(=O)c2ccc3[n-]c(=S)oc3c2)cc1F ZINC000118777616 1137131486 /nfs/dbraw/zinc/13/14/86/1137131486.db2.gz OIVIKBSZYPUNGR-UHFFFAOYSA-N -1 0 332.356 3.907 20 0 EHADRM O=C(N[C@@H](c1ccccn1)C1CCC1)c1ccc2oc(=S)[n-]c2c1 ZINC000862748268 1137155680 /nfs/dbraw/zinc/15/56/80/1137155680.db2.gz ZQDOYCIDVDLSSK-MRXNPFEDSA-N -1 0 339.420 3.783 20 0 EHADRM CC[C@H](C)C[C@H](C)NC(=O)c1nn(-c2cc(C)ccc2F)cc1[O-] ZINC001136966409 1137158796 /nfs/dbraw/zinc/15/87/96/1137158796.db2.gz BNAKDGPZRIYMJI-AAEUAGOBSA-N -1 0 333.407 3.580 20 0 EHADRM COc1ccc([C@H](NC(=O)c2ccc(C)c(C(=O)[O-])c2)C2CC2)cc1 ZINC000864103546 1137215107 /nfs/dbraw/zinc/21/51/07/1137215107.db2.gz LPBHSIJMKAXUJS-GOSISDBHSA-N -1 0 339.391 3.583 20 0 EHADRM CC(C)C[C@@H](NC(=O)/C=C/c1cc(C(=O)[O-])co1)c1cccs1 ZINC000864106177 1137215168 /nfs/dbraw/zinc/21/51/68/1137215168.db2.gz XWMXKQDMAHEMKS-VBROQKIQSA-N -1 0 333.409 3.956 20 0 EHADRM CCc1cc2c(CC(=O)N[C@@](C)(CC)CC(=O)[O-])csc2s1 ZINC000864118844 1137215954 /nfs/dbraw/zinc/21/59/54/1137215954.db2.gz OHCZOPUWTMOAHW-INIZCTEOSA-N -1 0 339.482 3.827 20 0 EHADRM COc1ccc2cc(C(=O)NCCCCCCC(=O)[O-])sc2c1 ZINC000864120552 1137216037 /nfs/dbraw/zinc/21/60/37/1137216037.db2.gz AQROQSBIWQYWAG-UHFFFAOYSA-N -1 0 335.425 3.675 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)/C=C/c1csc(C(F)(F)F)c1 ZINC000864118967 1137216042 /nfs/dbraw/zinc/21/60/42/1137216042.db2.gz RORISLCOBOPVPY-MUBLQREKSA-N -1 0 335.347 3.540 20 0 EHADRM CCOC1CC2(C[C@H]2C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)C1 ZINC000864121200 1137216053 /nfs/dbraw/zinc/21/60/53/1137216053.db2.gz IUCJAPNTXMQIEE-XYEKJYRLSA-N -1 0 345.420 3.743 20 0 EHADRM CC(C)Oc1ccccc1[C@H](C)NC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC000864125331 1137216304 /nfs/dbraw/zinc/21/63/04/1137216304.db2.gz UAWPFNIKKFNZSV-XEHSLEBBSA-N -1 0 343.379 3.656 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2C[C@H]2C(C)(C)C)cc1 ZINC000864127061 1137216326 /nfs/dbraw/zinc/21/63/26/1137216326.db2.gz YGSUBYZPWOBRSD-KFWWJZLASA-N -1 0 335.469 3.723 20 0 EHADRM Cc1ccc(C[C@H](C)N(C)C(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000864130755 1137216384 /nfs/dbraw/zinc/21/63/84/1137216384.db2.gz ZQPHUMWLGQYDDF-HNNXBMFYSA-N -1 0 325.408 3.705 20 0 EHADRM C[C@@H](CN(C(=O)/C=C\c1ccc(F)c2ccccc12)C1CC1)C(=O)[O-] ZINC000864131242 1137216537 /nfs/dbraw/zinc/21/65/37/1137216537.db2.gz UPXHNQDGOUSINA-YLBKJLTLSA-N -1 0 341.382 3.704 20 0 EHADRM O=C([O-])CCc1cccc(NC(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)c1 ZINC000864134698 1137216648 /nfs/dbraw/zinc/21/66/48/1137216648.db2.gz AYRZXZGWWFMZTA-ROUUACIJSA-N -1 0 341.382 3.975 20 0 EHADRM CSCCCCCCC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000864133291 1137216698 /nfs/dbraw/zinc/21/66/98/1137216698.db2.gz MFJGTPPYMNLJSZ-CQSZACIVSA-N -1 0 329.506 3.649 20 0 EHADRM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)CCc2cccc3ccccc32)C1 ZINC000864142962 1137217240 /nfs/dbraw/zinc/21/72/40/1137217240.db2.gz XLQHFXSGXCQIEC-NRFANRHFSA-N -1 0 339.435 3.732 20 0 EHADRM CC(C)=CCSc1ccccc1C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC000864165118 1137217558 /nfs/dbraw/zinc/21/75/58/1137217558.db2.gz UBSHAAYBKWRSRV-AWEZNQCLSA-N -1 0 331.437 3.648 20 0 EHADRM O=C([O-])c1coc(/C=C\C(=O)N2CCCC[C@H]2c2ccc(F)cc2)c1 ZINC000864180419 1137218147 /nfs/dbraw/zinc/21/81/47/1137218147.db2.gz QXFAVUXUYSTTDT-JJEJIETFSA-N -1 0 343.354 3.884 20 0 EHADRM CC(C)[C@@](C)(Cc1ccccc1)NC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC000864188037 1137218495 /nfs/dbraw/zinc/21/84/95/1137218495.db2.gz BZLPNNAYESZZOW-QXHGNLAOSA-N -1 0 341.407 3.765 20 0 EHADRM CC(C)c1ccc(/C=C\CC(=O)N[C@@](C)(CC(=O)[O-])C2CC2)cc1 ZINC000864204144 1137218978 /nfs/dbraw/zinc/21/89/78/1137218978.db2.gz RJWVNJKOGXYNTO-FBQMEGEOSA-N -1 0 329.440 3.973 20 0 EHADRM Cc1oc(-c2ccccc2)c(C(=O)N[C@@H]2C[C@H]3C[C@@]3(C(=O)[O-])C2)c1C ZINC000864211202 1137219081 /nfs/dbraw/zinc/21/90/81/1137219081.db2.gz FMGIRDQIAAMMJP-BXTJHSDWSA-N -1 0 339.391 3.547 20 0 EHADRM Cc1cccc([C@H](CC(=O)[O-])NC(=O)CCCc2ccc(F)cc2)c1 ZINC000864231135 1137219536 /nfs/dbraw/zinc/21/95/36/1137219536.db2.gz FRTMGCWFPWCHRL-SFHVURJKSA-N -1 0 343.398 3.789 20 0 EHADRM CC(C)N(CC1CC1)C(=O)c1cc(Br)cc(F)c1[O-] ZINC000864855364 1137249179 /nfs/dbraw/zinc/24/91/79/1137249179.db2.gz RDNZJRNFMFWPQY-UHFFFAOYSA-N -1 0 330.197 3.554 20 0 EHADRM CCN(C(=O)c1cc(Br)cc(F)c1[O-])C1CCCC1 ZINC000864899687 1137251392 /nfs/dbraw/zinc/25/13/92/1137251392.db2.gz OJUCBDZVUVHSMX-UHFFFAOYSA-N -1 0 330.197 3.699 20 0 EHADRM COC(=O)c1cccc([C@H]2CCCN2Cc2c(F)cc(O)cc2F)c1 ZINC001144567561 1137311472 /nfs/dbraw/zinc/31/14/72/1137311472.db2.gz RLYHPGZFWGVZBV-GOSISDBHSA-N -1 0 347.361 3.794 20 0 EHADRM O=C([O-])c1ccsc1CN1CCn2cccc2[C@H]1c1ccccc1 ZINC001144665288 1137324876 /nfs/dbraw/zinc/32/48/76/1137324876.db2.gz QWQKYNRBGFIYQP-GOSISDBHSA-N -1 0 338.432 3.853 20 0 EHADRM Cc1c(C(=O)[O-])cnn1-c1cccc(NC(=O)/C=C\C2CCCC2)c1 ZINC000846118281 1137334180 /nfs/dbraw/zinc/33/41/80/1137334180.db2.gz WQMVAAHAQKJGDJ-KTKRTIGZSA-N -1 0 339.395 3.564 20 0 EHADRM CC1(S(=O)(=O)[N-]C(=O)C2(C3CCCCC3)CCCCC2)CC1 ZINC000806025300 1137347466 /nfs/dbraw/zinc/34/74/66/1137347466.db2.gz GJDLRNWVVSGTOO-UHFFFAOYSA-N -1 0 327.490 3.516 20 0 EHADRM O=C(NCCC[C@H]1CC1(Cl)Cl)c1ccc2[n-]c(=S)oc2c1 ZINC000846588017 1137357737 /nfs/dbraw/zinc/35/77/37/1137357737.db2.gz NYNQYGOKGLDACX-VIFPVBQESA-N -1 0 345.251 3.820 20 0 EHADRM O=C(Nc1nnc(Cc2ccccc2)s1)c1onc2ccccc21 ZINC001146384233 1137390136 /nfs/dbraw/zinc/39/01/36/1137390136.db2.gz GLWVFTWUAIJYSC-UHFFFAOYSA-N -1 0 336.376 3.522 20 0 EHADRM C[C@@H]1CCC[C@H](C)N(C(=O)c2cc(Br)c(F)cc2[O-])C1 ZINC001147051576 1137399202 /nfs/dbraw/zinc/39/92/02/1137399202.db2.gz QAXMPJQSNRCORH-ZJUUUORDSA-N -1 0 344.224 3.945 20 0 EHADRM CC1(C)CN(C(=O)c2cc(Br)cc(F)c2[O-])[C@H]1C1CC1 ZINC000868443009 1137410060 /nfs/dbraw/zinc/41/00/60/1137410060.db2.gz VNIBATIPPHXROM-ZDUSSCGKSA-N -1 0 342.208 3.554 20 0 EHADRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)Cc3ccoc3)n2)c1 ZINC000339081435 1137416084 /nfs/dbraw/zinc/41/60/84/1137416084.db2.gz VVYICXFQYAYARV-UHFFFAOYSA-N -1 0 339.395 3.567 20 0 EHADRM COc1cccc2c1CC[C@@H]2NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000122294910 1137423951 /nfs/dbraw/zinc/42/39/51/1137423951.db2.gz UQZYOOCAHDLLKD-ZDUSSCGKSA-N -1 0 340.404 3.542 20 0 EHADRM CC[C@@H]1CCC[C@H](C)N1C(=O)c1nn(-c2cc(C)ccc2F)cc1[O-] ZINC001148512292 1137426055 /nfs/dbraw/zinc/42/60/55/1137426055.db2.gz HDCYWPWQHQGIRS-UONOGXRCSA-N -1 0 345.418 3.819 20 0 EHADRM CN(C(=O)c1cc(Cl)cc(Cl)c1[O-])c1nc(Cl)ccc1N ZINC001148805016 1137435232 /nfs/dbraw/zinc/43/52/32/1137435232.db2.gz BOEOXPKBYNRTQF-UHFFFAOYSA-N -1 0 346.601 3.606 20 0 EHADRM O=C(Nc1nccc2cnccc21)c1cc(Cl)cc(Cl)c1[O-] ZINC001148805242 1137435273 /nfs/dbraw/zinc/43/52/73/1137435273.db2.gz HWMNJRBXZMHOHX-UHFFFAOYSA-N -1 0 334.162 3.895 20 0 EHADRM C[C@H](CCCC(C)(C)O)NC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001148812687 1137435528 /nfs/dbraw/zinc/43/55/28/1137435528.db2.gz YJTKFYSKTGNTAB-SECBINFHSA-N -1 0 334.243 3.759 20 0 EHADRM CC(C)c1nc([C@H]2CCCCN2C(=O)c2ccc(Cl)c([O-])c2)no1 ZINC001148817674 1137435822 /nfs/dbraw/zinc/43/58/22/1137435822.db2.gz NTHSHAALVBLNFK-CYBMUJFWSA-N -1 0 349.818 3.919 20 0 EHADRM CCc1oc(C(=O)N(CC)[C@@H](C)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000339088566 1137437181 /nfs/dbraw/zinc/43/71/81/1137437181.db2.gz FTGABIVTCYCYLE-NSHDSACASA-N -1 0 333.359 3.903 20 0 EHADRM CC[C@@H](CNC(=O)c1ccc(Cl)c([O-])c1)Oc1ccccc1F ZINC001149010905 1137438757 /nfs/dbraw/zinc/43/87/57/1137438757.db2.gz IFPLKIYLHUSUEW-LBPRGKRZSA-N -1 0 337.778 3.772 20 0 EHADRM CCCC[C@H](CCC)NC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC001148996487 1137438930 /nfs/dbraw/zinc/43/89/30/1137438930.db2.gz GTJIYBXETKKZAX-ZDUSSCGKSA-N -1 0 333.407 3.806 20 0 EHADRM O=C(Nc1nc(C2CCCCC2)cs1)c1ccc2oc(=O)nc-2[n-]1 ZINC001171517118 1137495821 /nfs/dbraw/zinc/49/58/21/1137495821.db2.gz JBXBMGWAZKJIRW-UHFFFAOYSA-N -1 0 344.396 3.685 20 0 EHADRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)cc1C ZINC000796727315 1137513329 /nfs/dbraw/zinc/51/33/29/1137513329.db2.gz SWZXWYJORMJRLC-KBAYOESNSA-N -1 0 349.496 3.715 20 0 EHADRM CC(C)[C@@H]1CCc2[n-]n(-c3cccc(Br)n3)c(=O)c2C1 ZINC000871951181 1137563533 /nfs/dbraw/zinc/56/35/33/1137563533.db2.gz LBBPAGJYZYZJBV-MNOVXSKESA-N -1 0 336.233 3.619 20 0 EHADRM CCc1cc(-n2[n-]c3c(c2=O)CCC(C)(C)C3)nc(-c2ccccn2)n1 ZINC000871950542 1137563635 /nfs/dbraw/zinc/56/36/35/1137563635.db2.gz BAWOBLFSGDFXKD-AWEZNQCLSA-N -1 0 349.438 3.630 20 0 EHADRM O=c1cc(C2CCCC2)[n-]n1-c1ccc(OCC(F)(F)F)cc1 ZINC000871951875 1137563639 /nfs/dbraw/zinc/56/36/39/1137563639.db2.gz VQAJFGDGLSYIMD-UHFFFAOYSA-N -1 0 326.318 3.911 20 0 EHADRM Cc1noc([N-]S(=O)(=O)c2ccc(C(C)(C)C)c(F)c2)c1C ZINC000872002785 1137564250 /nfs/dbraw/zinc/56/42/50/1137564250.db2.gz DUOLFGZYFFXQIT-UHFFFAOYSA-N -1 0 326.393 3.529 20 0 EHADRM Cc1c([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)noc1C(C)(C)C ZINC000872007681 1137564351 /nfs/dbraw/zinc/56/43/51/1137564351.db2.gz XUZVHZXQPDNTLL-KTKRTIGZSA-N -1 0 338.404 3.832 20 0 EHADRM O=C([O-])[C@H](c1cccc(Cl)c1Cl)[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000872163264 1137574800 /nfs/dbraw/zinc/57/48/00/1137574800.db2.gz BPPLJQSFVPYHDL-BFVZDQMLSA-N -1 0 346.279 3.804 20 0 EHADRM CC[C@H](Cc1cccc(C)c1)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000872737267 1137583485 /nfs/dbraw/zinc/58/34/85/1137583485.db2.gz PZJMMNIDRBTEPX-MRXNPFEDSA-N -1 0 337.419 3.804 20 0 EHADRM Cc1cc2cc(C(=O)N3CC[C@]4(C(=O)[O-])CCC[C@H]34)oc2cc1C ZINC000872766391 1137584055 /nfs/dbraw/zinc/58/40/55/1137584055.db2.gz DOWMJKLGNADEDE-QFBILLFUSA-N -1 0 327.380 3.519 20 0 EHADRM CC(C)C[C@@H](NC(=O)C(C)(C)SCC(=O)[O-])c1cccs1 ZINC000872837745 1137585212 /nfs/dbraw/zinc/58/52/12/1137585212.db2.gz JWFJSLNZJRTNHL-LLVKDONJSA-N -1 0 329.487 3.548 20 0 EHADRM Cc1c(NC(=O)C2=C(C(=O)[O-])CCCC2)cccc1-c1ncco1 ZINC000872868582 1137585719 /nfs/dbraw/zinc/58/57/19/1137585719.db2.gz CBSHEQJEQLKXFN-UHFFFAOYSA-N -1 0 326.352 3.544 20 0 EHADRM C[C@@H](c1cccs1)N(C)C(=O)C[C@@]1(C(=O)[O-])CCc2ccccc21 ZINC000872899504 1137586316 /nfs/dbraw/zinc/58/63/16/1137586316.db2.gz IAOHGSLMVDLZPB-DJJJIMSYSA-N -1 0 343.448 3.626 20 0 EHADRM O=C([O-])[C@H](CC(=O)N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1)c1ccccc1 ZINC000872989239 1137587580 /nfs/dbraw/zinc/58/75/80/1137587580.db2.gz OXAMVRGJOZCIIV-VNTMZGSJSA-N -1 0 349.430 3.507 20 0 EHADRM O=C([O-])CC1(CC(=O)N[C@@H]2CC=CC[C@H]2C(F)(F)F)CCCCC1 ZINC000872998024 1137587701 /nfs/dbraw/zinc/58/77/01/1137587701.db2.gz ISNYNOORPWYIBW-CHWSQXEVSA-N -1 0 347.377 3.815 20 0 EHADRM Cc1csc([C@H]2CCN(C(=O)c3cc(F)cc(Cl)c3[O-])C2)n1 ZINC000874498492 1137616263 /nfs/dbraw/zinc/61/62/63/1137616263.db2.gz XUTKICYSSROQAU-VIFPVBQESA-N -1 0 340.807 3.579 20 0 EHADRM O=Cc1cccc(-c2ccc(-n3ccnc3SCC(=O)[O-])cc2)c1 ZINC000874973260 1137627321 /nfs/dbraw/zinc/62/73/21/1137627321.db2.gz QNVLFPSBONQCQK-UHFFFAOYSA-N -1 0 338.388 3.529 20 0 EHADRM O=Cc1ccc(-c2ccc3sc(CCC(=O)[O-])nc3c2)cc1F ZINC000874972773 1137627369 /nfs/dbraw/zinc/62/73/69/1137627369.db2.gz JHHZQCUVDUTICW-UHFFFAOYSA-N -1 0 329.352 3.932 20 0 EHADRM CCc1ccc(NC(=O)[C@H](C)OC(=O)c2cc3ccsc3[nH]2)cc1 ZINC000023345849 1137748780 /nfs/dbraw/zinc/74/87/80/1137748780.db2.gz OBOMXIQMDVICBP-NSHDSACASA-N -1 0 342.420 3.976 20 0 EHADRM O=C(NO[C@H]1CCCCO1)Nc1cccc(OCc2ccccc2)c1 ZINC000880368531 1137776651 /nfs/dbraw/zinc/77/66/51/1137776651.db2.gz AHDKIJUWDKDBNA-SFHVURJKSA-N -1 0 342.395 3.845 20 0 EHADRM COc1ccc(O)c(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC000130132332 1137834497 /nfs/dbraw/zinc/83/44/97/1137834497.db2.gz JHDYKXOHELDAJF-UHFFFAOYSA-N -1 0 328.151 3.666 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)N[C@@H](C)c2cccs2)cc1 ZINC000108067807 1137888552 /nfs/dbraw/zinc/88/85/52/1137888552.db2.gz VJYZHTPSZGMDJX-WHEQGISXSA-N -1 0 335.494 3.857 20 0 EHADRM CC(C)c1ccc(S([O-])=CC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000108068174 1137888628 /nfs/dbraw/zinc/88/86/28/1137888628.db2.gz ITGVHFWNZLVTTG-NPMXOYFQSA-N -1 0 329.465 3.795 20 0 EHADRM O=S(=O)(/C=C/c1ccccc1F)[N-]c1nc(C2CCC2)cs1 ZINC000800045967 1137895631 /nfs/dbraw/zinc/89/56/31/1137895631.db2.gz VHPAYLBATQHSMA-CMDGGOBGSA-N -1 0 338.429 3.962 20 0 EHADRM [O-]c1ccc(Cl)cc1-c1nc(Cc2ccc3n[nH]cc3c2)no1 ZINC000800118854 1137898415 /nfs/dbraw/zinc/89/84/15/1137898415.db2.gz NJROJZWSYYEVAE-UHFFFAOYSA-N -1 0 326.743 3.563 20 0 EHADRM Cc1ccc([C@H]2OCCC[C@H]2NC(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000331423942 1137907851 /nfs/dbraw/zinc/90/78/51/1137907851.db2.gz QQLYBKOILHBGQG-SJLPKXTDSA-N -1 0 347.361 3.629 20 0 EHADRM C[C@H]1CCC(=O)[C@@H](Sc2n[n-]c(=NC3CCCCC3)s2)C1 ZINC000331475389 1137909730 /nfs/dbraw/zinc/90/97/30/1137909730.db2.gz LGGRPNGLROGFCK-GWCFXTLKSA-N -1 0 325.503 3.554 20 0 EHADRM CCSc1n[n-]c(=NC(=O)N2CCC[C@H]2c2cccs2)s1 ZINC000331563607 1137912737 /nfs/dbraw/zinc/91/27/37/1137912737.db2.gz JTJGYQNUUTWEGO-VIFPVBQESA-N -1 0 340.499 3.503 20 0 EHADRM Cc1nn(C)cc1S(=O)(=O)[N-]c1c(C(C)C)cccc1C(C)C ZINC000013948603 1137928285 /nfs/dbraw/zinc/92/82/85/1137928285.db2.gz VVANPQOTOZXQHC-UHFFFAOYSA-N -1 0 335.473 3.776 20 0 EHADRM CC1(C)CCCN1C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000332184321 1137934869 /nfs/dbraw/zinc/93/48/69/1137934869.db2.gz OEQUOJVVUPBTCM-UHFFFAOYSA-N -1 0 336.848 3.687 20 0 EHADRM Cc1cc(Nc2cc(F)c(C(=O)[O-])c(F)c2)ccc1N1CCOCC1 ZINC001203328434 1137938005 /nfs/dbraw/zinc/93/80/05/1137938005.db2.gz URLCRISEJRDFAN-UHFFFAOYSA-N -1 0 348.349 3.552 20 0 EHADRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N(C)C3CCC(C)CC3)n2)c1 ZINC000332672615 1137950968 /nfs/dbraw/zinc/95/09/68/1137950968.db2.gz QWSZUMNIOVRWCQ-UHFFFAOYSA-N -1 0 345.418 3.676 20 0 EHADRM O=C(NC[C@H]1CCOC2(CCC2)C1)c1c([O-])cc(Cl)cc1Cl ZINC000333116472 1137955819 /nfs/dbraw/zinc/95/58/19/1137955819.db2.gz UENYONMYXYMFPQ-JTQLQIEISA-N -1 0 344.238 3.778 20 0 EHADRM C[C@H]1CCN(C(=O)N=c2ccc(C3CC3)n[n-]2)[C@H]1c1cccc(F)c1 ZINC000333176515 1137957263 /nfs/dbraw/zinc/95/72/63/1137957263.db2.gz LOLGYRFXFNRMHV-KPZWWZAWSA-N -1 0 340.402 3.530 20 0 EHADRM CC1(C)C[C@H](O)c2cccc(NC(=O)c3cc(F)c([O-])c(F)c3)c2O1 ZINC000885657014 1138015568 /nfs/dbraw/zinc/01/55/68/1138015568.db2.gz PKOXYCCLRKQXFD-AWEZNQCLSA-N -1 0 349.333 3.517 20 0 EHADRM C[C@H](CCc1cccn1C)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000074055707 1138117558 /nfs/dbraw/zinc/11/75/58/1138117558.db2.gz NFIACPOLUSASHN-LLVKDONJSA-N -1 0 329.425 3.580 20 0 EHADRM COc1ccsc1S(=O)(=O)[N-]c1ccccc1OC(C)(C)C ZINC000121605737 1138247297 /nfs/dbraw/zinc/24/72/97/1138247297.db2.gz ABCORPOSQCJQJT-UHFFFAOYSA-N -1 0 341.454 3.735 20 0 EHADRM CC(=O)c1c(C)cc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)cc1C ZINC000887315592 1138262648 /nfs/dbraw/zinc/26/26/48/1138262648.db2.gz XRZKXJVOWJFIQQ-QGZVFWFLSA-N -1 0 339.391 3.703 20 0 EHADRM CC[C@@H](c1n[n-]c(=NC(=O)N2CCC23CCC3)s1)c1ccccc1 ZINC000333362194 1138281342 /nfs/dbraw/zinc/28/13/42/1138281342.db2.gz UOCQZLUUCISSAE-CQSZACIVSA-N -1 0 342.468 3.662 20 0 EHADRM CC[C@](C)(NC(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1)C(=O)[O-] ZINC000887382284 1138294163 /nfs/dbraw/zinc/29/41/63/1138294163.db2.gz CDTWIXDQVVCQTP-MFKMUULPSA-N -1 0 336.285 3.634 20 0 EHADRM O=c1[n-]c([C@@H]2CCCCN2Cc2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000333750028 1138328469 /nfs/dbraw/zinc/32/84/69/1138328469.db2.gz XNXDIYNIDJILBR-LBPRGKRZSA-N -1 0 327.215 3.544 20 0 EHADRM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1ccc2c[nH]nc2c1 ZINC000348454864 1138584739 /nfs/dbraw/zinc/58/47/39/1138584739.db2.gz ZXDZPZJKGYWHDD-UHFFFAOYSA-N -1 0 345.355 3.557 20 0 EHADRM O=C(Cc1csc2ccc(Cl)cc12)N=c1ccc(C2CC2)n[n-]1 ZINC000337665074 1138637874 /nfs/dbraw/zinc/63/78/74/1138637874.db2.gz PGJXIVCCDGUXND-UHFFFAOYSA-N -1 0 343.839 3.825 20 0 EHADRM Cc1ccc(C(C)C)c(OCCC(=O)N=c2ccc(C3CC3)n[n-]2)c1 ZINC000337667558 1138638989 /nfs/dbraw/zinc/63/89/89/1138638989.db2.gz QYMIYBQDACOMHJ-UHFFFAOYSA-N -1 0 339.439 3.615 20 0 EHADRM Cc1c(F)nccc1Nc1ccc(S(=O)(=O)[O-])c2ccccc12 ZINC001212844106 1138755853 /nfs/dbraw/zinc/75/58/53/1138755853.db2.gz UFTGNZSSAHITOW-UHFFFAOYSA-N -1 0 332.356 3.673 20 0 EHADRM O=C(NO[C@@H]1CCCCO1)Nc1ccc(Br)cc1Cl ZINC000152825799 1139109577 /nfs/dbraw/zinc/10/95/77/1139109577.db2.gz GRNDGLPOPNOGCE-LLVKDONJSA-N -1 0 349.612 3.682 20 0 EHADRM Cc1noc(C)c1[C@@H](C)CNC(=O)c1ccc(C(F)(F)F)cc1O ZINC000180776979 1139861500 /nfs/dbraw/zinc/86/15/00/1139861500.db2.gz SUOSWGIGNFFGEO-QMMMGPOBSA-N -1 0 342.317 3.549 20 0 EHADRM Cc1csc(NC(=O)c2nn(-c3cccc(C(C)C)c3)cc2[O-])n1 ZINC000357444785 1140084914 /nfs/dbraw/zinc/08/49/14/1140084914.db2.gz YPVKIONQZKASBO-UHFFFAOYSA-N -1 0 342.424 3.719 20 0 EHADRM COC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC000185470163 1140151286 /nfs/dbraw/zinc/15/12/86/1140151286.db2.gz JDSNQNUHXHBATL-RKDXNWHRSA-N -1 0 346.210 3.617 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000186404255 1140202111 /nfs/dbraw/zinc/20/21/11/1140202111.db2.gz JWPODYMLRSQMER-CMPLNLGQSA-N -1 0 335.325 3.828 20 0 EHADRM COc1cccc(CCC(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC000191393860 1140460748 /nfs/dbraw/zinc/46/07/48/1140460748.db2.gz LFTGVOZOSYCESP-CQSZACIVSA-N -1 0 341.407 3.530 20 0 EHADRM CCC(CC)[C@H]1C[C@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)CCO1 ZINC000192456296 1140533105 /nfs/dbraw/zinc/53/31/05/1140533105.db2.gz WEAFOPHBIBLVRM-IUODEOHRSA-N -1 0 343.826 3.898 20 0 EHADRM CCC(CC)(CNC(=O)C1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000194424596 1140608595 /nfs/dbraw/zinc/60/85/95/1140608595.db2.gz BTHCCMIUTOXSPD-UHFFFAOYSA-N -1 0 331.456 3.752 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2cccc(SC(F)F)c2)CC1 ZINC000194408889 1140608673 /nfs/dbraw/zinc/60/86/73/1140608673.db2.gz ZUVAPTZTBUJMSD-UHFFFAOYSA-N -1 0 329.368 3.831 20 0 EHADRM CC(C)Cn1cc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cn1 ZINC000266600910 1140706949 /nfs/dbraw/zinc/70/69/49/1140706949.db2.gz PLWWTGHPQIUUIT-UHFFFAOYSA-N -1 0 348.255 3.647 20 0 EHADRM CCN(C(=O)c1nn(-c2ccccc2F)cc1[O-])C1CCCCC1 ZINC000268395582 1140932255 /nfs/dbraw/zinc/93/22/55/1140932255.db2.gz DUHRDRWNRZJKBA-UHFFFAOYSA-N -1 0 331.391 3.512 20 0 EHADRM Cc1cc(CCCC(=O)NCCCCCCC(=O)[O-])c(C)s1 ZINC000269121727 1141068735 /nfs/dbraw/zinc/06/87/35/1141068735.db2.gz HUJQVCGZLNVGIP-UHFFFAOYSA-N -1 0 325.474 3.839 20 0 EHADRM CSc1ccc(S(=O)(=O)[N-]c2sc(C)nc2C)cc1Cl ZINC000274319491 1141496854 /nfs/dbraw/zinc/49/68/54/1141496854.db2.gz SUDGETKKQLMBPQ-UHFFFAOYSA-N -1 0 348.902 3.936 20 0 EHADRM CC(C)(C)c1nnc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)s1 ZINC000283353215 1141606277 /nfs/dbraw/zinc/60/62/77/1141606277.db2.gz IPSUEEQKWUCFFQ-UHFFFAOYSA-N -1 0 334.426 3.518 20 0 EHADRM Cc1nc(C=Cc2c(Cl)oc3ccccc32)[nH]c(=O)c1CC(=O)[O-] ZINC000349105279 1141639104 /nfs/dbraw/zinc/63/91/04/1141639104.db2.gz GPPULORMYGTMSJ-VOTSOKGWSA-N -1 0 344.754 3.688 20 0 EHADRM O=C([O-])c1cc(NC(=O)c2ccc(Br)s2)ccc1F ZINC000037402446 213144344 /nfs/dbraw/zinc/14/43/44/213144344.db2.gz PXLAHVMHBQRBQU-UHFFFAOYSA-N -1 0 344.161 3.600 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1csc(Br)c1 ZINC000037450574 213148265 /nfs/dbraw/zinc/14/82/65/213148265.db2.gz TTZTVHQPYAJHBD-UHFFFAOYSA-N -1 0 332.200 3.523 20 0 EHADRM CCc1cccc(C)c1NS(=O)(=O)c1cccc(Cl)c1[O-] ZINC000549719023 450602191 /nfs/dbraw/zinc/60/21/91/450602191.db2.gz MIABIVRONLOQPZ-UHFFFAOYSA-N -1 0 325.817 3.717 20 0 EHADRM C[C@H]1CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])CC[C@@H]1O ZINC000186725868 524521809 /nfs/dbraw/zinc/52/18/09/524521809.db2.gz UJXXYLBVNJHUHD-SJCJKPOMSA-N -1 0 345.826 3.556 20 0 EHADRM O=C([O-])CCCCC(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000037794937 527577314 /nfs/dbraw/zinc/57/73/14/527577314.db2.gz FLWJQSXLLQPOFO-GFCCVEGCSA-N -1 0 327.833 3.638 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)CCc1ccc(Cl)cc1)c1ccccc1 ZINC000139311045 527594102 /nfs/dbraw/zinc/59/41/02/527594102.db2.gz RUCDURGWTCEZNW-QGZVFWFLSA-N -1 0 345.826 3.995 20 0 EHADRM Cc1c2ccccc2sc1C([O-])=CS(=O)(=O)c1ccccc1 ZINC000028874769 581091452 /nfs/dbraw/zinc/09/14/52/581091452.db2.gz OFJXJEVECAIRCB-UHFFFAOYSA-N -1 0 330.430 3.866 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)CCSc2ccc(Cl)cc2)C1 ZINC000314997288 597102873 /nfs/dbraw/zinc/10/28/73/597102873.db2.gz FSXPYCQSCLJRDA-GFCCVEGCSA-N -1 0 341.860 3.536 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)Nc2ccccc2SC(F)F)C1 ZINC000390478097 597115691 /nfs/dbraw/zinc/11/56/91/597115691.db2.gz IYAYITROMPWCOC-SNVBAGLBSA-N -1 0 344.383 3.720 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)N1CCC[C@H](CC(=O)[O-])C1)c1ccccc1 ZINC000574138514 597118768 /nfs/dbraw/zinc/11/87/68/597118768.db2.gz XBCBBBXYIWDKHU-PBHICJAKSA-N -1 0 332.444 3.670 20 0 EHADRM Cc1nn(-c2ccccc2)c(C)c1CNc1cccc(CC(=O)[O-])c1 ZINC000819018728 597139565 /nfs/dbraw/zinc/13/95/65/597139565.db2.gz DAFNXRJUZPJXGX-UHFFFAOYSA-N -1 0 335.407 3.728 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1)C(=O)[O-] ZINC000033549513 597166811 /nfs/dbraw/zinc/16/68/11/597166811.db2.gz AGHRZKTVRDAKCX-SNVBAGLBSA-N -1 0 341.392 3.558 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)N2CCC[C@@H]2c2cccs2)c1 ZINC000738624240 597192887 /nfs/dbraw/zinc/19/28/87/597192887.db2.gz OQYVAXSTDGZFJJ-CQSZACIVSA-N -1 0 330.409 3.744 20 0 EHADRM C[C@@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)c1ccc(Cl)s1 ZINC000387062455 597213627 /nfs/dbraw/zinc/21/36/27/597213627.db2.gz RZTHVNFWPRGCIE-SECBINFHSA-N -1 0 338.816 3.660 20 0 EHADRM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000818070922 597229293 /nfs/dbraw/zinc/22/92/93/597229293.db2.gz FDFDUEMCJZKBCM-NSHDSACASA-N -1 0 348.349 3.566 20 0 EHADRM Cc1ccccc1[C@H](C)N(C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263352319 597231709 /nfs/dbraw/zinc/23/17/09/597231709.db2.gz HZXGDSFBOSUMLT-AWEZNQCLSA-N -1 0 326.396 3.596 20 0 EHADRM CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC000236593335 597271910 /nfs/dbraw/zinc/27/19/10/597271910.db2.gz ACBOWGXWUVNFRA-UHFFFAOYSA-N -1 0 341.407 3.629 20 0 EHADRM O=C([O-])c1ccc(CS(=O)(=O)Cc2cccc3ccccc32)cc1 ZINC000819687516 597283472 /nfs/dbraw/zinc/28/34/72/597283472.db2.gz RASVIFQJKQUGFP-UHFFFAOYSA-N -1 0 340.400 3.653 20 0 EHADRM O=C([O-])c1ccc(C[S@](=O)Cc2csc(-c3ccco3)n2)cc1 ZINC000819691184 597285325 /nfs/dbraw/zinc/28/53/25/597285325.db2.gz FFTJTBMMGOGVPC-QHCPKHFHSA-N -1 0 347.417 3.550 20 0 EHADRM Cc1ccc(C[C@@H](C)NC(=O)Nc2ccccc2CC(=O)[O-])c(C)c1 ZINC000818890753 597323643 /nfs/dbraw/zinc/32/36/43/597323643.db2.gz JYSVXVUWGDTAHE-OAHLLOKOSA-N -1 0 340.423 3.683 20 0 EHADRM Cc1cccc([C@H](C)CNC(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000818939337 597332187 /nfs/dbraw/zinc/33/21/87/597332187.db2.gz QSKRKPGQZWSPDT-CQSZACIVSA-N -1 0 326.396 3.547 20 0 EHADRM COc1ccc(C)cc1[C@H](C)NC(=O)Nc1ccccc1CC(=O)[O-] ZINC000818583007 597335106 /nfs/dbraw/zinc/33/51/06/597335106.db2.gz KJXHVOSWNKXHFA-ZDUSSCGKSA-N -1 0 342.395 3.513 20 0 EHADRM CC[C@H](NC(=O)Nc1ccccc1CC(=O)[O-])c1ccccc1OC ZINC000818143820 597339743 /nfs/dbraw/zinc/33/97/43/597339743.db2.gz YCDZSLCGBRODFD-HNNXBMFYSA-N -1 0 342.395 3.595 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)Nc1cccc(OC(F)F)c1 ZINC000819623550 597340863 /nfs/dbraw/zinc/34/08/63/597340863.db2.gz SDZAFMFQUYZGSZ-UHFFFAOYSA-N -1 0 336.294 3.559 20 0 EHADRM COc1ccc2cccc(CC(=O)Nc3ccccc3CC(=O)[O-])c2c1 ZINC000431679197 597386458 /nfs/dbraw/zinc/38/64/58/597386458.db2.gz PIXUZRZCTYNAMX-UHFFFAOYSA-N -1 0 349.386 3.657 20 0 EHADRM O=C([O-])C1CCN(C(=O)c2cccc(-c3c(F)cccc3F)c2)CC1 ZINC000821510942 597412061 /nfs/dbraw/zinc/41/20/61/597412061.db2.gz URIZAMGFFJPHON-UHFFFAOYSA-N -1 0 345.345 3.569 20 0 EHADRM Cc1[nH]c(-c2cccc(C)c2)nc1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000821107460 597412477 /nfs/dbraw/zinc/41/24/77/597412477.db2.gz VUVQZFXRMFVGFB-UHFFFAOYSA-N -1 0 349.390 3.573 20 0 EHADRM O=C([O-])C[C@H]1CCCN(C(=O)c2ccccc2CCC(F)(F)F)C1 ZINC000562922315 597436872 /nfs/dbraw/zinc/43/68/72/597436872.db2.gz VMUWQIKXBWQABP-GFCCVEGCSA-N -1 0 343.345 3.508 20 0 EHADRM C[C@H](C(=O)[O-])N(C)C(=S)Nc1ccccc1Oc1ccccc1 ZINC000817768909 597479090 /nfs/dbraw/zinc/47/90/90/597479090.db2.gz NVYYLNXVBUVZPR-GFCCVEGCSA-N -1 0 330.409 3.581 20 0 EHADRM O=C([O-])CCCCSc1nnc(-c2ccccc2F)n1C1CC1 ZINC000738575583 597745866 /nfs/dbraw/zinc/74/58/66/597745866.db2.gz BMQWFLWXFQUZLM-UHFFFAOYSA-N -1 0 335.404 3.766 20 0 EHADRM CCC(=O)c1cc(C(=O)Nc2ccc(C(=O)[O-])cc2F)ccc1F ZINC000820261448 598050747 /nfs/dbraw/zinc/05/07/47/598050747.db2.gz LPKNCEPZNRAOGB-UHFFFAOYSA-N -1 0 333.290 3.508 20 0 EHADRM CSc1cccc(NC(=O)Nc2ccccc2CC(=O)[O-])c1C ZINC000820909920 598176317 /nfs/dbraw/zinc/17/63/17/598176317.db2.gz IZGKLNDHALFYSN-UHFFFAOYSA-N -1 0 330.409 3.988 20 0 EHADRM Cc1cc(NC(=O)N2CCCc3sccc3C2)ccc1C(=O)[O-] ZINC000738438240 599701432 /nfs/dbraw/zinc/70/14/32/599701432.db2.gz ZELQHCMIIMCBKY-UHFFFAOYSA-N -1 0 330.409 3.735 20 0 EHADRM COc1ccccc1/C(C)=C\C(=O)O[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000738121593 599705215 /nfs/dbraw/zinc/70/52/15/599705215.db2.gz RKIBPUDCCUQSGW-WEHUKYGOSA-N -1 0 330.336 3.694 20 0 EHADRM CCCC[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)[O-] ZINC000736985405 599708856 /nfs/dbraw/zinc/70/88/56/599708856.db2.gz OLUJIRNQMVIHTG-HNNXBMFYSA-N -1 0 345.468 3.939 20 0 EHADRM CCCCCN(Cc1ccc(Cl)cc1)C(=O)CCNC(=O)[O-] ZINC000736990486 599710756 /nfs/dbraw/zinc/71/07/56/599710756.db2.gz MRMQIMXVYSVWCK-UHFFFAOYSA-N -1 0 326.824 3.517 20 0 EHADRM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCCNC(=O)[O-] ZINC000736719810 599717106 /nfs/dbraw/zinc/71/71/06/599717106.db2.gz YCDXIZDSDGROES-SECBINFHSA-N -1 0 333.215 3.561 20 0 EHADRM C[C@@H]1CCc2sc(C(=O)Nc3cccc(C(=O)[O-])c3O)cc2C1 ZINC000322677072 599720217 /nfs/dbraw/zinc/72/02/17/599720217.db2.gz LMDVAFVBTWLKTA-SECBINFHSA-N -1 0 331.393 3.529 20 0 EHADRM CC(C)c1sc(NC(=O)CCCNC(=O)[O-])nc1-c1ccccc1 ZINC000736531032 599720954 /nfs/dbraw/zinc/72/09/54/599720954.db2.gz UFCHLFUZQIVVGN-UHFFFAOYSA-N -1 0 347.440 3.920 20 0 EHADRM O=C([O-])C[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000679399429 599725003 /nfs/dbraw/zinc/72/50/03/599725003.db2.gz AZHZRXBYUZTWGC-IPELMVKDSA-N -1 0 337.419 3.799 20 0 EHADRM C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)CCCNC(=O)[O-])c2)C1 ZINC000736779579 599727984 /nfs/dbraw/zinc/72/79/84/599727984.db2.gz IZZHMDOCIQIYBL-WMLDXEAASA-N -1 0 348.443 3.768 20 0 EHADRM C[C@@H](NC(=O)CCCNC(=O)[O-])c1ccccc1Oc1ccccc1 ZINC000736635649 599730006 /nfs/dbraw/zinc/73/00/06/599730006.db2.gz HZZBVZMIDCUQKK-CQSZACIVSA-N -1 0 342.395 3.704 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)Cc1cccc(Cl)c1 ZINC000321084334 599732456 /nfs/dbraw/zinc/73/24/56/599732456.db2.gz IRRYIZQJULERFM-UHFFFAOYSA-N -1 0 329.783 3.560 20 0 EHADRM Cn1c(C(=O)Nc2ccsc2C(=O)[O-])ccc1-c1ccc(F)cc1 ZINC000739012762 599732655 /nfs/dbraw/zinc/73/26/55/599732655.db2.gz NZOVBNVKBLWWOF-UHFFFAOYSA-N -1 0 344.367 3.843 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)c2cnc(-c3ccccn3)s2)c1 ZINC000740041010 599733988 /nfs/dbraw/zinc/73/39/88/599733988.db2.gz LFTAUIOLNNOQFM-UHFFFAOYSA-N -1 0 340.364 3.547 20 0 EHADRM COc1c(C)cc(CN(C)C(=O)Nc2ccccc2C(=O)[O-])cc1C ZINC000737840211 599736741 /nfs/dbraw/zinc/73/67/41/599736741.db2.gz UBHKBHOJYOBLFE-UHFFFAOYSA-N -1 0 342.395 3.674 20 0 EHADRM CC[C@@H](NC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1)C1CCCCC1 ZINC000736909981 599737129 /nfs/dbraw/zinc/73/71/29/599737129.db2.gz CZDAIBVNMLIJFS-MRXNPFEDSA-N -1 0 336.432 3.787 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)CCCCc1nc2ccccc2s1)C(=O)[O-] ZINC000236941742 599742597 /nfs/dbraw/zinc/74/25/97/599742597.db2.gz CGFRSNUEBPFKHF-SJCJKPOMSA-N -1 0 348.468 3.625 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)C(=O)[O-] ZINC000236986572 599743908 /nfs/dbraw/zinc/74/39/08/599743908.db2.gz PVYHZFQNQPUPAM-MADCSZMMSA-N -1 0 343.210 3.704 20 0 EHADRM Cc1nc(CC(C)C)sc1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000347127830 599745016 /nfs/dbraw/zinc/74/50/16/599745016.db2.gz FTJBQGDOSLSNKQ-UHFFFAOYSA-N -1 0 332.425 3.529 20 0 EHADRM Cc1nc(CC(C)C)sc1C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000543448177 599746014 /nfs/dbraw/zinc/74/60/14/599746014.db2.gz YFYGLLADKMLFQY-UHFFFAOYSA-N -1 0 332.425 3.909 20 0 EHADRM CCc1ccc([C@H](C)C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1 ZINC000478861682 599746107 /nfs/dbraw/zinc/74/61/07/599746107.db2.gz WXOVLEDYJWIERM-NBMRYCAZSA-N -1 0 329.440 3.597 20 0 EHADRM C[C@H](CN(Cc1ccccc1)C(=O)c1ccc2[nH]ccc2c1)C(=O)[O-] ZINC000362538734 599754546 /nfs/dbraw/zinc/75/45/46/599754546.db2.gz YORWECMTTVAYHH-CQSZACIVSA-N -1 0 336.391 3.531 20 0 EHADRM Cc1[nH]c(C(=O)N[C@H](c2ccccc2)C2CCC2)c(C)c1C(=O)[O-] ZINC000738156331 599754662 /nfs/dbraw/zinc/75/46/62/599754662.db2.gz RPVLJBSEYRIETQ-QGZVFWFLSA-N -1 0 326.396 3.601 20 0 EHADRM Cc1c(NC(=O)NCc2ccc(F)c(Cl)c2)cccc1C(=O)[O-] ZINC000320313326 599755945 /nfs/dbraw/zinc/75/59/45/599755945.db2.gz VAIPTEWRLIRSLY-UHFFFAOYSA-N -1 0 336.750 3.807 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)cn1 ZINC000238035087 599765623 /nfs/dbraw/zinc/76/56/23/599765623.db2.gz SQNKLNOSOLZTHH-MRXNPFEDSA-N -1 0 344.798 3.704 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC000317050153 599766547 /nfs/dbraw/zinc/76/65/47/599766547.db2.gz VUKJIAYRPYYPGV-UHFFFAOYSA-N -1 0 339.178 3.658 20 0 EHADRM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000237521060 599767107 /nfs/dbraw/zinc/76/71/07/599767107.db2.gz PMGDOZDXUOJJKE-GFCCVEGCSA-N -1 0 347.798 3.763 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1 ZINC000238045120 599767959 /nfs/dbraw/zinc/76/79/59/599767959.db2.gz XWXAKZUXSVHATP-DLBZAZTESA-N -1 0 327.355 3.585 20 0 EHADRM CC(C)(C)OCc1cccc(CNC(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000236812074 599768319 /nfs/dbraw/zinc/76/83/19/599768319.db2.gz BJQDZXBFGDBOSF-UHFFFAOYSA-N -1 0 341.407 3.630 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)Cc2c[nH]c3cc(F)ccc23)cc1 ZINC000238040528 599772227 /nfs/dbraw/zinc/77/22/27/599772227.db2.gz NEXYGNPODYXZJH-UHFFFAOYSA-N -1 0 340.354 3.505 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000237251075 599772232 /nfs/dbraw/zinc/77/22/32/599772232.db2.gz LLRPVXFAKJSKPY-CQSZACIVSA-N -1 0 341.407 3.845 20 0 EHADRM CCc1csc(NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])n1 ZINC000737274453 599777203 /nfs/dbraw/zinc/77/72/03/599777203.db2.gz JYPQRCXJAQQFRL-VIFPVBQESA-N -1 0 336.438 3.523 20 0 EHADRM O=C([O-])c1cccc(NC(=O)NCCCc2c[nH]c3ccccc23)c1 ZINC000739423527 599781873 /nfs/dbraw/zinc/78/18/73/599781873.db2.gz OYTRMJVQWFJNMI-UHFFFAOYSA-N -1 0 337.379 3.620 20 0 EHADRM CC(C)CC[C@H]1CCC[C@H]1NC(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000736426621 599788544 /nfs/dbraw/zinc/78/85/44/599788544.db2.gz LREJYEXGEKEQHW-RHSMWYFYSA-N -1 0 348.443 3.876 20 0 EHADRM CC(C)Oc1ccc(NC(=S)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000736494980 599805422 /nfs/dbraw/zinc/80/54/22/599805422.db2.gz RLWWXLZNONRTJB-UHFFFAOYSA-N -1 0 344.436 3.659 20 0 EHADRM CC(C)COc1ccc(NC(=O)[C@H](NC(=O)[O-])C(C)C)cc1Cl ZINC000736448188 599814635 /nfs/dbraw/zinc/81/46/35/599814635.db2.gz IWHMSMDAQLCGKC-CQSZACIVSA-N -1 0 342.823 3.606 20 0 EHADRM Cc1ncccc1C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC000738372269 599815575 /nfs/dbraw/zinc/81/55/75/599815575.db2.gz ZSUZIEAVAYZQAH-UHFFFAOYSA-N -1 0 330.409 3.671 20 0 EHADRM CCCCC[C@H](NC(=O)NC1CCN(C(=O)[O-])CC1)c1ccccc1 ZINC000736984527 599815828 /nfs/dbraw/zinc/81/58/28/599815828.db2.gz LSWMLOWPLFMHSS-KRWDZBQOSA-N -1 0 347.459 3.750 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)C[C@@H]1CCCc2ccccc21 ZINC000739220677 599817911 /nfs/dbraw/zinc/81/79/11/599817911.db2.gz BFHQCQUMUWXKCI-ZDUSSCGKSA-N -1 0 327.355 3.973 20 0 EHADRM CCC[C@@H](NC(=O)Nc1cccc(C(=O)[O-])c1C)c1ccccn1 ZINC000736974917 599818019 /nfs/dbraw/zinc/81/80/19/599818019.db2.gz XRJZYLAHJFPQOX-MRXNPFEDSA-N -1 0 327.384 3.751 20 0 EHADRM CC(C)(C)c1csc(CNC(=O)Nc2cccc(NC(=O)[O-])c2)n1 ZINC000736299700 599818864 /nfs/dbraw/zinc/81/88/64/599818864.db2.gz PYSDWIVUIOJTJI-UHFFFAOYSA-N -1 0 348.428 3.852 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OC(=O)c1csc(-c2ccoc2)n1 ZINC000740306600 599819452 /nfs/dbraw/zinc/81/94/52/599819452.db2.gz FUBSJUBTNXBDBA-UHFFFAOYSA-N -1 0 349.751 3.974 20 0 EHADRM CCC1(C)CCN(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)CC1 ZINC000736929956 599820278 /nfs/dbraw/zinc/82/02/78/599820278.db2.gz RRIFDXJLCMFNTN-UHFFFAOYSA-N -1 0 334.416 3.584 20 0 EHADRM CCC[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000736969886 599820473 /nfs/dbraw/zinc/82/04/73/599820473.db2.gz ITSOUZMEQNMUFQ-SECBINFHSA-N -1 0 348.321 3.636 20 0 EHADRM Cc1cccc2c1CC[C@@H]2NC(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000738311035 599820802 /nfs/dbraw/zinc/82/08/02/599820802.db2.gz NXFIDNYFVZTNID-KRWDZBQOSA-N -1 0 339.395 3.918 20 0 EHADRM CCC[C@H](NC(=O)Nc1ccc(F)c(NC(=O)[O-])c1)c1ccccn1 ZINC000736971375 599821256 /nfs/dbraw/zinc/82/12/56/599821256.db2.gz BYJJTMXQGVJNEC-AWEZNQCLSA-N -1 0 346.362 3.974 20 0 EHADRM CCC[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c(C)c1)c1ccccn1 ZINC000736971160 599821258 /nfs/dbraw/zinc/82/12/58/599821258.db2.gz ABSILLCSPVEZCI-MRXNPFEDSA-N -1 0 327.384 3.751 20 0 EHADRM Cc1cccc2c1CC[C@@H]2NC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000738748601 599822950 /nfs/dbraw/zinc/82/29/50/599822950.db2.gz VJYWIDFFRGTVJJ-SFHVURJKSA-N -1 0 338.407 3.821 20 0 EHADRM COc1ccc([C@H](C)NC(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000327438473 599824742 /nfs/dbraw/zinc/82/47/42/599824742.db2.gz GELDWUZGTZROIX-ZDUSSCGKSA-N -1 0 342.395 3.595 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000532253989 599826281 /nfs/dbraw/zinc/82/62/81/599826281.db2.gz CIIDZFFMGBTUPB-UHFFFAOYSA-N -1 0 345.305 3.759 20 0 EHADRM C[C@H]1CCCC[C@H]1CC(=O)N(CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000736779694 599833003 /nfs/dbraw/zinc/83/30/03/599833003.db2.gz JUOQRDBSUMBHCY-JSGCOSHPSA-N -1 0 339.382 3.594 20 0 EHADRM CCc1nc(C)c(C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)s1 ZINC000737281170 599834980 /nfs/dbraw/zinc/83/49/80/599834980.db2.gz GVGPOFDHHMFEHL-UHFFFAOYSA-N -1 0 336.438 3.515 20 0 EHADRM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N(C)c1ccccc1C(=O)[O-] ZINC000736760618 599838294 /nfs/dbraw/zinc/83/82/94/599838294.db2.gz CRCMIVQGIQQVRN-VKJFTORMSA-N -1 0 347.455 3.825 20 0 EHADRM O=C([O-])N1CCC[C@H](Nc2nc3ccccc3c(-c3ccccc3)n2)C1 ZINC000739927746 599843716 /nfs/dbraw/zinc/84/37/16/599843716.db2.gz NHGWVQBCLITSKR-HNNXBMFYSA-N -1 0 348.406 3.851 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)/C=C/c1ccc(Cl)s1 ZINC000035305803 599844585 /nfs/dbraw/zinc/84/45/85/599844585.db2.gz LNWSTCMJADCKSV-FNORWQNLSA-N -1 0 325.748 3.891 20 0 EHADRM CC(C)(C)c1ccccc1OCC(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000736298910 599846588 /nfs/dbraw/zinc/84/65/88/599846588.db2.gz HMHMJCGATHKFPI-UHFFFAOYSA-N -1 0 345.370 3.839 20 0 EHADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)CCc2ccccc2)cc1 ZINC000237345900 599848627 /nfs/dbraw/zinc/84/86/27/599848627.db2.gz UMPCKNMEPFDADT-QGZVFWFLSA-N -1 0 343.448 3.673 20 0 EHADRM Cn1cc(Cl)cc1C(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000390301840 599849271 /nfs/dbraw/zinc/84/92/71/599849271.db2.gz SRJORUXTLRIXCM-UHFFFAOYSA-N -1 0 328.755 3.782 20 0 EHADRM O=C([O-])c1c(F)cccc1NCc1ncc(-c2ccc(F)cc2)o1 ZINC000740066239 599856613 /nfs/dbraw/zinc/85/66/13/599856613.db2.gz OUKMEGHIUMHDSG-UHFFFAOYSA-N -1 0 330.290 3.930 20 0 EHADRM CC(=O)Nc1cccc(-c2nc(-c3cc(C(=O)[O-])co3)cs2)c1 ZINC000736165016 599858758 /nfs/dbraw/zinc/85/87/58/599858758.db2.gz IIEMUGCVKAKIGW-UHFFFAOYSA-N -1 0 328.349 3.727 20 0 EHADRM Cc1cc(COC(=O)C[C@H]2CCCc3ccccc32)oc1C(=O)[O-] ZINC000738393765 599877504 /nfs/dbraw/zinc/87/75/04/599877504.db2.gz YZCJSOSJGZFZHS-CQSZACIVSA-N -1 0 328.364 3.840 20 0 EHADRM COc1cccc(CN(C)C(=O)Nc2sc(C)c(C)c2C(=O)[O-])c1 ZINC000324815415 599879456 /nfs/dbraw/zinc/87/94/56/599879456.db2.gz UNAHVXUEMAZUDT-UHFFFAOYSA-N -1 0 348.424 3.736 20 0 EHADRM Cc1ccc(-c2nc(C)c(C(=O)OCc3cc(C(=O)[O-])co3)s2)o1 ZINC000738493635 599882948 /nfs/dbraw/zinc/88/29/48/599882948.db2.gz VVBIPDZJQKZCGA-UHFFFAOYSA-N -1 0 347.348 3.668 20 0 EHADRM CC(C)Oc1ccc(Cl)cc1C(=O)OCc1cc(C(=O)[O-])co1 ZINC000736493723 599883494 /nfs/dbraw/zinc/88/34/94/599883494.db2.gz BQMWJAHXZOQLDQ-UHFFFAOYSA-N -1 0 338.743 3.775 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)NC2CC(c3ccccc3)C2)ccc1F ZINC000740005216 599887848 /nfs/dbraw/zinc/88/78/48/599887848.db2.gz KOTDUBSKYZUOSI-UHFFFAOYSA-N -1 0 343.358 3.983 20 0 EHADRM CCn1c(CSc2ncccc2C(=O)[O-])nc2c1cccc2F ZINC000737295689 599890949 /nfs/dbraw/zinc/89/09/49/599890949.db2.gz MISKCTBQODBBDD-UHFFFAOYSA-N -1 0 331.372 3.581 20 0 EHADRM CCCCN(Cc1ccccc1Cl)C(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000736994209 599898117 /nfs/dbraw/zinc/89/81/17/599898117.db2.gz PPFSFNQDTXQJDM-HNNXBMFYSA-N -1 0 340.851 3.761 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N[C@H]2CCSc3ccc(F)cc32)c1 ZINC000740028650 599898172 /nfs/dbraw/zinc/89/81/72/599898172.db2.gz GEGUJBBQSSBAFV-AWEZNQCLSA-N -1 0 346.383 3.883 20 0 EHADRM COc1ccc([C@@H](NC(=O)c2cccc(NC(=O)[O-])c2)C2CC2)cc1 ZINC000737964408 599899090 /nfs/dbraw/zinc/89/90/90/599899090.db2.gz JJKLOILFXQIWOH-KRWDZBQOSA-N -1 0 340.379 3.666 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)c3cccc(NC(=O)[O-])c3)cc2)co1 ZINC000738830296 599901739 /nfs/dbraw/zinc/90/17/39/599901739.db2.gz ZVAOWYPDZXXQED-UHFFFAOYSA-N -1 0 337.335 3.992 20 0 EHADRM CCC(=O)Nc1ccc(C)c(NC(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000736848885 599904604 /nfs/dbraw/zinc/90/46/04/599904604.db2.gz YTCGBFFCSCGIDO-UHFFFAOYSA-N -1 0 341.367 3.686 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)Nc2nc(-c3ccccc3)ns2)c1 ZINC000740036239 599906241 /nfs/dbraw/zinc/90/62/41/599906241.db2.gz LTBATEJZIPBXDI-UHFFFAOYSA-N -1 0 340.364 3.547 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OC(=O)c1cc(F)c(F)c(F)c1 ZINC000740308600 599908135 /nfs/dbraw/zinc/90/81/35/599908135.db2.gz XEUMKTFMKLLDAF-UHFFFAOYSA-N -1 0 330.645 3.675 20 0 EHADRM CC(C)COc1ccccc1CNC(=O)c1cccc(NC(=O)[O-])c1 ZINC000736448332 599908485 /nfs/dbraw/zinc/90/84/85/599908485.db2.gz LKYPYEIHPADJRM-UHFFFAOYSA-N -1 0 342.395 3.741 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N[C@H]2CCOc3c(Cl)cccc32)c1 ZINC000740028741 599908903 /nfs/dbraw/zinc/90/89/03/599908903.db2.gz HZBLUXSTLTYNEF-AWEZNQCLSA-N -1 0 346.770 3.684 20 0 EHADRM COc1ccc(NC(=O)C[C@H](C)c2ccccc2F)c(C(=O)[O-])c1 ZINC000738028424 599914508 /nfs/dbraw/zinc/91/45/08/599914508.db2.gz RDOGBTDAHRHNDL-NSHDSACASA-N -1 0 331.343 3.665 20 0 EHADRM Cc1oc(-c2cccs2)nc1C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000738452497 599916624 /nfs/dbraw/zinc/91/66/24/599916624.db2.gz PUAQRNQGCICECF-UHFFFAOYSA-N -1 0 342.376 3.970 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 ZINC000736376986 599920147 /nfs/dbraw/zinc/92/01/47/599920147.db2.gz QYSKCHGFOJJNHG-HNNXBMFYSA-N -1 0 347.415 3.647 20 0 EHADRM C[C@@H](CN(C(=O)c1cc2c(cccc2Cl)s1)C1CC1)C(=O)[O-] ZINC000736565994 599920820 /nfs/dbraw/zinc/92/08/20/599920820.db2.gz AXTDYGJOYMNQFR-VIFPVBQESA-N -1 0 337.828 3.880 20 0 EHADRM O=C([O-])CSCc1cccc(NC(=O)c2ccc3c(c2)CCC3)c1 ZINC000238086106 599923216 /nfs/dbraw/zinc/92/32/16/599923216.db2.gz UBFFRVKTGXXWNY-UHFFFAOYSA-N -1 0 341.432 3.745 20 0 EHADRM CC[C@@H](C)[C@@H](NC(=O)[C@H](CC)Oc1ccccc1C(C)C)C(=O)[O-] ZINC000736929549 599926833 /nfs/dbraw/zinc/92/68/33/599926833.db2.gz QTCKPKKBEBVLKT-UKPHBRMFSA-N -1 0 335.444 3.583 20 0 EHADRM Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cccc(NC(=O)[O-])c1)CC3 ZINC000738667180 599930309 /nfs/dbraw/zinc/93/03/09/599930309.db2.gz FRRBWYJWHGZZKR-UHFFFAOYSA-N -1 0 349.390 3.765 20 0 EHADRM CC1(C)Oc2ccc(NC(=O)c3cccc(NC(=O)[O-])c3)cc2O1 ZINC000736738704 599930452 /nfs/dbraw/zinc/93/04/52/599930452.db2.gz VTCBTXQCIKJXTF-UHFFFAOYSA-N -1 0 328.324 3.536 20 0 EHADRM Cc1cc(C(=O)N(C[C@H](C)C(=O)[O-])C2CC2)c(C)n1C1CCCCC1 ZINC000237467703 599930889 /nfs/dbraw/zinc/93/08/89/599930889.db2.gz QYFIECYDHCAXKD-ZDUSSCGKSA-N -1 0 346.471 3.935 20 0 EHADRM Cc1ccc2c(CCNC(=O)c3cccc(NC(=O)[O-])c3)c[nH]c2c1 ZINC000738663794 599935840 /nfs/dbraw/zinc/93/58/40/599935840.db2.gz DGHJDTXGVVSGSO-UHFFFAOYSA-N -1 0 337.379 3.539 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCC[C@H](Cc3ccccc3)C2)s1 ZINC000263545504 599940123 /nfs/dbraw/zinc/94/01/23/599940123.db2.gz TXKUNZPFPXGHCG-CQSZACIVSA-N -1 0 329.421 3.541 20 0 EHADRM Cc1ncsc1C(=O)OCc1c2ccccc2sc1C(=O)[O-] ZINC000738892590 599944512 /nfs/dbraw/zinc/94/45/12/599944512.db2.gz KORNIXZHKADSNV-UHFFFAOYSA-N -1 0 333.390 3.721 20 0 EHADRM CCOc1ccc2cc(C(=O)Nc3ccc(C(=O)[O-])c(C)c3)[nH]c2c1 ZINC000236883892 599949837 /nfs/dbraw/zinc/94/98/37/599949837.db2.gz FIFNOPPUGBLFPX-UHFFFAOYSA-N -1 0 338.363 3.826 20 0 EHADRM Cc1cc(C(=O)CCC(=O)Nc2ccc(C(=O)[O-])c(C)c2)c(C)s1 ZINC000237666504 599950344 /nfs/dbraw/zinc/95/03/44/599950344.db2.gz DDIGHBGIDMVADU-UHFFFAOYSA-N -1 0 345.420 3.973 20 0 EHADRM CCN(c1ccc(C(=O)Nc2cccc(C(=O)[O-])c2O)cc1)C(C)C ZINC000737109315 599950326 /nfs/dbraw/zinc/95/03/26/599950326.db2.gz VTBPFNUFQYXJBI-UHFFFAOYSA-N -1 0 342.395 3.577 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)c1csc2c1CCCC2)c1ccccc1 ZINC000324479129 599953635 /nfs/dbraw/zinc/95/36/35/599953635.db2.gz LWRXRAJZKAZHDD-INIZCTEOSA-N -1 0 343.448 3.963 20 0 EHADRM Cc1cc(NCC(=O)Nc2ccc(F)cc2Cl)ccc1C(=O)[O-] ZINC000738459949 599962793 /nfs/dbraw/zinc/96/27/93/599962793.db2.gz MYFHJMRFIWMMSQ-UHFFFAOYSA-N -1 0 336.750 3.536 20 0 EHADRM CCc1[nH]c(C(=O)N2CCCc3cc(F)cc(C)c32)c(C)c1C(=O)[O-] ZINC000737241745 599973193 /nfs/dbraw/zinc/97/31/93/599973193.db2.gz NAJSYLZGPYBHSP-UHFFFAOYSA-N -1 0 344.386 3.624 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2cc(F)ccc2N2CCCCC2)cc1 ZINC000649462547 599981874 /nfs/dbraw/zinc/98/18/74/599981874.db2.gz FMMYXAHUWXQPNN-UHFFFAOYSA-N -1 0 342.370 3.767 20 0 EHADRM Cc1cccc2[nH]cc(CCNC(=O)Nc3cccc(C(=O)[O-])c3)c21 ZINC000738746007 599987600 /nfs/dbraw/zinc/98/76/00/599987600.db2.gz AQLGRFXHGYLGEJ-UHFFFAOYSA-N -1 0 337.379 3.539 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1cccc2cccnc21)C(=O)[O-] ZINC000736585143 599987689 /nfs/dbraw/zinc/98/76/89/599987689.db2.gz VEMUEJIZMLOWIT-HNNXBMFYSA-N -1 0 348.402 3.598 20 0 EHADRM O=C([O-])c1coc(COC(=O)[C@H](OC2CCCC2)c2ccccc2)c1 ZINC000740268351 599999175 /nfs/dbraw/zinc/99/91/75/599999175.db2.gz RNTPJBIJFYPEAE-QGZVFWFLSA-N -1 0 344.363 3.722 20 0 EHADRM COc1ccc(C(=O)[O-])c(NC(=O)c2csc3c2CC[C@H](C)C3)c1 ZINC000325587897 600003453 /nfs/dbraw/zinc/00/34/53/600003453.db2.gz DZIUXVGAALWAKG-JTQLQIEISA-N -1 0 345.420 3.832 20 0 EHADRM O=C([O-])c1ccc(CNCc2csc(-c3cccs3)n2)cc1 ZINC000426707909 600007468 /nfs/dbraw/zinc/00/74/68/600007468.db2.gz DYFNQWMYYZNFGW-UHFFFAOYSA-N -1 0 330.434 3.860 20 0 EHADRM Cc1cc(NC(=O)N[C@H]2CCCOc3ccccc32)ccc1C(=O)[O-] ZINC000738441263 600014003 /nfs/dbraw/zinc/01/40/03/600014003.db2.gz KTEPRFBNNAGTLT-INIZCTEOSA-N -1 0 340.379 3.729 20 0 EHADRM CCOc1ccccc1[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000737212260 600014331 /nfs/dbraw/zinc/01/43/31/600014331.db2.gz DYZUZISBMWFORU-ZDUSSCGKSA-N -1 0 342.395 3.975 20 0 EHADRM Cc1cc(NC(=O)NCc2ccc([C@H]3C[C@@H]3C)o2)ccc1C(=O)[O-] ZINC000738440137 600014922 /nfs/dbraw/zinc/01/49/22/600014922.db2.gz INBLKGAXOCKPPL-NHYWBVRUSA-N -1 0 328.368 3.731 20 0 EHADRM Cc1cc(NC(=O)NCCc2ccc(Cl)cc2)ccc1C(=O)[O-] ZINC000320270264 600016181 /nfs/dbraw/zinc/01/61/81/600016181.db2.gz LSEKCTLJZCSDKS-UHFFFAOYSA-N -1 0 332.787 3.711 20 0 EHADRM CCN(C(=O)Nc1cccc(CSCC(=O)[O-])c1)[C@@H](C)C(C)C ZINC000737058110 600019513 /nfs/dbraw/zinc/01/95/13/600019513.db2.gz LXSVUYVHFPZASA-ZDUSSCGKSA-N -1 0 338.473 3.903 20 0 EHADRM O=C([O-])[C@H]1CCCN(C(=O)c2ccccc2SCc2ccco2)C1 ZINC000590410599 600021265 /nfs/dbraw/zinc/02/12/65/600021265.db2.gz CYVOTCVSBGTZKL-ZDUSSCGKSA-N -1 0 345.420 3.509 20 0 EHADRM O=C([O-])c1cccc(COC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1 ZINC000740220752 600021412 /nfs/dbraw/zinc/02/14/12/600021412.db2.gz HWIWRSBEEIBIQO-UONOGXRCSA-N -1 0 332.302 3.510 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)NCCCNc2ccccc2)ccc1F ZINC000740007871 600022418 /nfs/dbraw/zinc/02/24/18/600022418.db2.gz LSBXGGPPGRLHHS-UHFFFAOYSA-N -1 0 346.362 3.539 20 0 EHADRM CCC[C@@H]1CCCC[C@H]1NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736975928 600023375 /nfs/dbraw/zinc/02/33/75/600023375.db2.gz VGOOBXOLPSFZPG-CXAGYDPISA-N -1 0 330.428 3.769 20 0 EHADRM CC(C)[C@H]1CCC[C@@H](NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)C1 ZINC000736394108 600023431 /nfs/dbraw/zinc/02/34/31/600023431.db2.gz FXMPNANAUBAXST-SUMWQHHRSA-N -1 0 330.428 3.625 20 0 EHADRM C[C@H](NC(=O)NC1CCC(C(=O)[O-])CC1)c1csc2ccccc21 ZINC000736644507 600024498 /nfs/dbraw/zinc/02/44/98/600024498.db2.gz ALMFKJRABKIVQI-HIFPTAJRSA-N -1 0 346.452 3.905 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)CCSc2ccccc2F)c1 ZINC000739890292 600025443 /nfs/dbraw/zinc/02/54/43/600025443.db2.gz ZJQUNGIJSSWNML-UHFFFAOYSA-N -1 0 334.368 3.541 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)Cc2cc(Cl)ccc2Cl)c1 ZINC000739887846 600026407 /nfs/dbraw/zinc/02/64/07/600026407.db2.gz BXWOZDVRTLBHKN-UHFFFAOYSA-N -1 0 339.174 3.769 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)c2ccc(Oc3cccnc3)cc2)c1 ZINC000739887888 600028289 /nfs/dbraw/zinc/02/82/89/600028289.db2.gz FHQOJIIVKNZGAL-UHFFFAOYSA-N -1 0 349.342 3.720 20 0 EHADRM O=C([O-])Cc1cccc(OC(=O)c2cnc(-c3ccccc3)s2)c1 ZINC000739887886 600029068 /nfs/dbraw/zinc/02/90/68/600029068.db2.gz FFGDVXNYALKAHD-UHFFFAOYSA-N -1 0 339.372 3.656 20 0 EHADRM CC(C)c1nc2cc(NC(=O)NC3CCC(C(=O)[O-])CC3)ccc2o1 ZINC000582835473 600029096 /nfs/dbraw/zinc/02/90/96/600029096.db2.gz ULTIZZMOLSPHFA-UHFFFAOYSA-N -1 0 345.399 3.716 20 0 EHADRM Cc1cccc(CN(CC(C)C)C(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC000738709116 600031748 /nfs/dbraw/zinc/03/17/48/600031748.db2.gz QWCZSHPHNQNSCL-UHFFFAOYSA-N -1 0 346.471 3.806 20 0 EHADRM COc1cccc([C@H]2C[C@H]2C(=O)Oc2ccc(C(=O)[O-])cc2Cl)c1 ZINC000738096851 600035498 /nfs/dbraw/zinc/03/54/98/600035498.db2.gz QRGMWOWDKZAHKO-ZIAGYGMSSA-N -1 0 346.766 3.756 20 0 EHADRM C[C@@H](c1c(F)cccc1F)N(C)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000736714858 600037925 /nfs/dbraw/zinc/03/79/25/600037925.db2.gz JRHZSYYZTSJNEN-LBPRGKRZSA-N -1 0 347.361 3.815 20 0 EHADRM CCc1ccc(N(CC)C(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000737267403 600037938 /nfs/dbraw/zinc/03/79/38/600037938.db2.gz WPIKZNXWHHBBBJ-UHFFFAOYSA-N -1 0 325.408 3.933 20 0 EHADRM C[C@@H]1CCN(C(=O)CCc2ccc(C(=O)[O-])cc2)[C@@H]2CCCC[C@H]12 ZINC000532603202 600038725 /nfs/dbraw/zinc/03/87/25/600038725.db2.gz URBRASJFCVZCCE-ZTFGCOKTSA-N -1 0 329.440 3.745 20 0 EHADRM COc1cccc([C@@H]2C[C@@H]2C(=O)Oc2ccc(Cl)cc2C(=O)[O-])c1 ZINC000738095378 600038871 /nfs/dbraw/zinc/03/88/71/600038871.db2.gz GFFACJZVQXMTDL-KBPBESRZSA-N -1 0 346.766 3.756 20 0 EHADRM CC(C)[C@H](Sc1ccccc1)C(=O)OCc1occc1C(=O)[O-] ZINC000736392695 600038916 /nfs/dbraw/zinc/03/89/16/600038916.db2.gz VSMWFLPUHPTZGM-HNNXBMFYSA-N -1 0 334.393 3.838 20 0 EHADRM O=C([O-])c1ccc(CCC(=O)N2CCCc3c(F)cc(F)cc32)cc1 ZINC000740122439 600039089 /nfs/dbraw/zinc/03/90/89/600039089.db2.gz DQSLXNIZTQXCAE-UHFFFAOYSA-N -1 0 345.345 3.575 20 0 EHADRM COC[C@H](NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccccc1 ZINC000737745469 600040235 /nfs/dbraw/zinc/04/02/35/600040235.db2.gz FLRXELUPWTWXPG-HNNXBMFYSA-N -1 0 348.786 3.547 20 0 EHADRM O=C([O-])c1ccc(C(=O)N2CCCc3cc(Cl)cc(F)c32)cc1 ZINC000740108941 600045999 /nfs/dbraw/zinc/04/59/99/600045999.db2.gz FBNKKPKZQOZRMI-UHFFFAOYSA-N -1 0 333.746 3.770 20 0 EHADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000261762033 600050103 /nfs/dbraw/zinc/05/01/03/600050103.db2.gz VCMKSUOXWPKGOO-ZBOXLXRLSA-N -1 0 341.860 3.580 20 0 EHADRM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC000236738364 600050768 /nfs/dbraw/zinc/05/07/68/600050768.db2.gz HXFBALWTRBJDCG-QQFBHYJXSA-N -1 0 347.455 3.645 20 0 EHADRM Cc1cc(C(=O)[O-])c2sc(NC(=O)c3ccc(C)c(C)c3)nc2n1 ZINC000738346411 600050784 /nfs/dbraw/zinc/05/07/84/600050784.db2.gz UIQGPYYNMMGKBL-UHFFFAOYSA-N -1 0 341.392 3.567 20 0 EHADRM O=C([O-])C1CCC(NC(=O)c2cc3c(cccc3Cl)s2)CC1 ZINC000678304228 600051056 /nfs/dbraw/zinc/05/10/56/600051056.db2.gz XQEBPSQNEVGPNS-UHFFFAOYSA-N -1 0 337.828 3.928 20 0 EHADRM O=C([O-])C1CCC(NC(=O)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000261698170 600051661 /nfs/dbraw/zinc/05/16/61/600051661.db2.gz OLYOXCSNHQNPCB-UHFFFAOYSA-N -1 0 339.391 3.852 20 0 EHADRM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000262054794 600052028 /nfs/dbraw/zinc/05/20/28/600052028.db2.gz IQLDDIRZIMPUBH-VQCLRJIVSA-N -1 0 347.455 3.511 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1OCc1cccc(C(=O)NCC(C)C)c1 ZINC000738539890 600056708 /nfs/dbraw/zinc/05/67/08/600056708.db2.gz IJSVNVHTOVBVSF-UHFFFAOYSA-N -1 0 341.407 3.658 20 0 EHADRM COc1ccc([C@@H](C)OC(=O)c2ccc(C(=O)[O-])cc2)cc1Cl ZINC000737950587 600057378 /nfs/dbraw/zinc/05/73/78/600057378.db2.gz RRFAWCUATRIDJX-SNVBAGLBSA-N -1 0 334.755 3.965 20 0 EHADRM O=C([O-])c1cc(F)ccc1COc1nc(-c2ccccc2Cl)no1 ZINC000740077573 600059851 /nfs/dbraw/zinc/05/98/51/600059851.db2.gz LSLRPPLZAWEOBF-UHFFFAOYSA-N -1 0 348.717 3.806 20 0 EHADRM CC[C@H](CC(=O)N(CC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC000347388423 600062118 /nfs/dbraw/zinc/06/21/18/600062118.db2.gz YUZIEZMTGSPWDC-QGZVFWFLSA-N -1 0 325.408 3.684 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)c2cnc(-c3ccco3)s2)c1 ZINC000740040548 600062374 /nfs/dbraw/zinc/06/23/74/600062374.db2.gz IPDZHHNAZYIHIW-UHFFFAOYSA-N -1 0 329.337 3.745 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)c2cc(F)c(Cl)nc2Cl)c1 ZINC000740040007 600062402 /nfs/dbraw/zinc/06/24/02/600062402.db2.gz CJTHJYUTKNIOAY-UHFFFAOYSA-N -1 0 344.129 3.870 20 0 EHADRM CCCc1ccc([C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c2cccs2)cc1 ZINC000485648299 600062860 /nfs/dbraw/zinc/06/28/60/600062860.db2.gz PXQAHZBDZZQRMK-VYDXJSESSA-N -1 0 343.448 3.627 20 0 EHADRM CC[C@H](CC(=O)Nc1ccc(OC)cc1C(=O)[O-])c1ccccc1 ZINC000736893025 600062961 /nfs/dbraw/zinc/06/29/61/600062961.db2.gz SGNFEDZWJLMKKP-CYBMUJFWSA-N -1 0 327.380 3.916 20 0 EHADRM CC(C)(C)c1ccc(CCCC(=O)NC2(C(=O)[O-])CCCC2)cc1 ZINC000736296936 600066622 /nfs/dbraw/zinc/06/66/22/600066622.db2.gz AEWWCXZRQDOVCZ-UHFFFAOYSA-N -1 0 331.456 3.820 20 0 EHADRM O=C([O-])CCSCc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000238213724 600067331 /nfs/dbraw/zinc/06/73/31/600067331.db2.gz LQBWHHLZJHWTEP-UHFFFAOYSA-N -1 0 333.384 3.786 20 0 EHADRM Cc1ccc2c(CNc3ccc(F)c(C(=O)[O-])c3)cc(=O)oc2c1 ZINC000738666691 600076555 /nfs/dbraw/zinc/07/65/55/600076555.db2.gz VBBPDTMLHCARLF-UHFFFAOYSA-N -1 0 327.311 3.551 20 0 EHADRM COc1ccc(C[C@@H](C)OC(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000737984117 600100583 /nfs/dbraw/zinc/10/05/83/600100583.db2.gz JCTRWSLSNQPPJE-CQSZACIVSA-N -1 0 342.391 3.500 20 0 EHADRM O=C([O-])c1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)nc1 ZINC000740096713 600107727 /nfs/dbraw/zinc/10/77/27/600107727.db2.gz CWQAVKIDOLPDMM-UHFFFAOYSA-N -1 0 335.241 3.516 20 0 EHADRM O=C([O-])[C@H]1C[C@@H]1c1nc(-c2ccc(OCc3ccccc3)cc2)no1 ZINC000739559452 600108936 /nfs/dbraw/zinc/10/89/36/600108936.db2.gz FGABZSOSRSTPAR-HOTGVXAUSA-N -1 0 336.347 3.504 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H]1c1nc(-c2ccc(OCc3ccccc3)cc2)no1 ZINC000739559455 600108956 /nfs/dbraw/zinc/10/89/56/600108956.db2.gz FGABZSOSRSTPAR-JKSUJKDBSA-N -1 0 336.347 3.504 20 0 EHADRM C[C@@H](OC(=O)c1ccc(Cl)c(Cl)c1O)c1ccc(C(=O)[O-])o1 ZINC000736692983 600109095 /nfs/dbraw/zinc/10/90/95/600109095.db2.gz ZWEYWIOCCFMCFM-ZCFIWIBFSA-N -1 0 345.134 3.908 20 0 EHADRM CC(C)COc1ccc(CC(=O)O[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000736445774 600109149 /nfs/dbraw/zinc/10/91/49/600109149.db2.gz JKYNVNPMMXLCPF-IBGZPJMESA-N -1 0 342.391 3.633 20 0 EHADRM Cc1oc(COC(=O)c2ccc(Cl)c(Cl)c2O)cc1C(=O)[O-] ZINC000738979442 600109478 /nfs/dbraw/zinc/10/94/78/600109478.db2.gz AZHHSODEYISQTC-UHFFFAOYSA-N -1 0 345.134 3.656 20 0 EHADRM O=C([O-])c1ccc2c(c1)CN(C(=O)Nc1ccc(F)c(Cl)c1)C2 ZINC000321790939 600111260 /nfs/dbraw/zinc/11/12/60/600111260.db2.gz VCAFBYJVPFVSTQ-UHFFFAOYSA-N -1 0 334.734 3.725 20 0 EHADRM O=C([O-])c1ccc(-c2noc(-c3cc(-c4ccccc4)on3)n2)cc1 ZINC000740099528 600111766 /nfs/dbraw/zinc/11/17/66/600111766.db2.gz KKSTXLQZPYGFGS-UHFFFAOYSA-N -1 0 333.303 3.757 20 0 EHADRM CC(C)c1ccc(OCC(=O)OCc2ccc(F)cc2C(=O)[O-])cc1 ZINC000736515096 600112423 /nfs/dbraw/zinc/11/24/23/600112423.db2.gz GTLODZLMHZQUBY-UHFFFAOYSA-N -1 0 346.354 3.770 20 0 EHADRM O=C([O-])c1cc(F)ccc1COC(=O)CCn1ccc2ccccc21 ZINC000739268607 600113224 /nfs/dbraw/zinc/11/32/24/600113224.db2.gz NSYQVMGKWFEIGY-UHFFFAOYSA-N -1 0 341.338 3.612 20 0 EHADRM O=C([O-])c1ccc(-c2noc(-c3ccc(OCC4CC4)cc3)n2)cc1 ZINC000740098557 600116036 /nfs/dbraw/zinc/11/60/36/600116036.db2.gz ASBSLUARRLPTPA-UHFFFAOYSA-N -1 0 336.347 3.891 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000736627539 600116719 /nfs/dbraw/zinc/11/67/19/600116719.db2.gz RHRQWSUNTAQRIZ-LLVKDONJSA-N -1 0 334.318 3.585 20 0 EHADRM CCCc1nc(C)c(C(=O)Oc2ccc(C(=O)[O-])cc2C(C)=O)s1 ZINC000737051090 600124212 /nfs/dbraw/zinc/12/42/12/600124212.db2.gz QREALVJJRLBJSA-UHFFFAOYSA-N -1 0 347.392 3.524 20 0 EHADRM O=C([O-])CSCCC(=O)Oc1c(Cl)cc(Cl)cc1Cl ZINC000739853369 600125732 /nfs/dbraw/zinc/12/57/32/600125732.db2.gz QHGBHFCAHLEAKQ-UHFFFAOYSA-N -1 0 343.615 3.760 20 0 EHADRM CC[C@](NC(=O)/C=C/c1ccc(Cl)s1)(C(=O)[O-])c1ccccc1 ZINC000736907099 600127644 /nfs/dbraw/zinc/12/76/44/600127644.db2.gz NNWBRUPAQVSOOK-QXLXQBSBSA-N -1 0 349.839 3.921 20 0 EHADRM CC[C@@](NC(=O)C[C@H](C)c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000485383590 600132509 /nfs/dbraw/zinc/13/25/09/600132509.db2.gz NMFHWGJGJDEXPS-YWZLYKJASA-N -1 0 325.408 3.687 20 0 EHADRM CC[C@@H](C)[C@@H](C(=O)OCC(=O)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC000736869625 600134262 /nfs/dbraw/zinc/13/42/62/600134262.db2.gz GEJJYAIYJKCQJI-SJKOYZFVSA-N -1 0 344.363 3.534 20 0 EHADRM CCC[C@](C)(NC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000736954264 600143655 /nfs/dbraw/zinc/14/36/55/600143655.db2.gz JIENDCDELKKCNV-HWPZZCPQSA-N -1 0 346.254 3.932 20 0 EHADRM COc1ccccc1C[C@@H](C)CC(=O)OCc1cc(C(=O)[O-])c(C)o1 ZINC000738126529 600144010 /nfs/dbraw/zinc/14/40/10/600144010.db2.gz WYYVGKYLQMHCQZ-GFCCVEGCSA-N -1 0 346.379 3.607 20 0 EHADRM Cc1ccc2c(Cl)c(C(=O)N(C)CCCC(=O)[O-])sc2c1 ZINC000738663690 600152900 /nfs/dbraw/zinc/15/29/00/600152900.db2.gz BKFQANJTANIKND-UHFFFAOYSA-N -1 0 325.817 3.800 20 0 EHADRM Cc1c2ccccc2oc1C(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000486377258 600154794 /nfs/dbraw/zinc/15/47/94/600154794.db2.gz KGXFSSLRKYSGBB-MRXNPFEDSA-N -1 0 337.375 3.648 20 0 EHADRM CCCN(CCc1ccccn1)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000737019692 600156233 /nfs/dbraw/zinc/15/62/33/600156233.db2.gz JGDDMRZHQBUQTK-UHFFFAOYSA-N -1 0 341.411 3.575 20 0 EHADRM Cc1ccc(C)c(N(C(C)C)S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000738262385 600161679 /nfs/dbraw/zinc/16/16/79/600161679.db2.gz METLPOZSTWWICR-UHFFFAOYSA-N -1 0 347.436 3.605 20 0 EHADRM Cc1cccc(C(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1C ZINC000237601279 600167166 /nfs/dbraw/zinc/16/71/66/600167166.db2.gz YUJKFRZBNLXKFZ-UHFFFAOYSA-N -1 0 347.361 3.699 20 0 EHADRM CN(C(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2)C(C)(C)C(=O)[O-] ZINC000737333783 600171822 /nfs/dbraw/zinc/17/18/22/600171822.db2.gz NWIJUJBQRFCTFE-GFCCVEGCSA-N -1 0 337.485 3.834 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CC[C@H](c3ccccc3F)C2)cc1 ZINC000738684301 600177745 /nfs/dbraw/zinc/17/77/45/600177745.db2.gz WRBSMTDAEWRNCV-ZDUSSCGKSA-N -1 0 328.343 3.545 20 0 EHADRM CCN(C(=O)Nc1cc(C(=O)[O-])ccc1F)[C@H](C)c1cccnc1 ZINC000737059828 600179992 /nfs/dbraw/zinc/17/99/92/600179992.db2.gz IKXPYNPTFVYXCS-LLVKDONJSA-N -1 0 331.347 3.534 20 0 EHADRM CCc1ccc(NC(=S)N2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC000737266091 600188767 /nfs/dbraw/zinc/18/87/67/600188767.db2.gz HXGRPCKXRIAKIO-HNNXBMFYSA-N -1 0 326.421 3.634 20 0 EHADRM C[C@@H](CCC1CCCCC1)NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736560775 600189725 /nfs/dbraw/zinc/18/97/25/600189725.db2.gz DULVNSUPGIANEL-HOCLYGCPSA-N -1 0 336.476 3.632 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc(-c2ccccc2)[nH]1)c1ccccc1 ZINC000171862815 600191040 /nfs/dbraw/zinc/19/10/40/600191040.db2.gz PQRNCOJMJHPZPY-SFHVURJKSA-N -1 0 334.375 3.628 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000345913333 600193342 /nfs/dbraw/zinc/19/33/42/600193342.db2.gz ZBGLUWXOORWHGM-INIZCTEOSA-N -1 0 345.420 3.659 20 0 EHADRM C[C@@H](CC(=O)OCCOc1cccc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000736555500 600193609 /nfs/dbraw/zinc/19/36/09/600193609.db2.gz FRLNWNXQDFIDGU-ZDUSSCGKSA-N -1 0 346.354 3.640 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1ncoc1C(C)C ZINC000736492253 600196000 /nfs/dbraw/zinc/19/60/00/600196000.db2.gz YRGNPQHJEBXSPC-UHFFFAOYSA-N -1 0 332.356 3.536 20 0 EHADRM Cn1c2ccccc2c(Cl)c1C(=O)N(CC(=O)[O-])c1ccccc1 ZINC000739003583 600197409 /nfs/dbraw/zinc/19/74/09/600197409.db2.gz KPCZMRIVRTWIEK-UHFFFAOYSA-N -1 0 342.782 3.563 20 0 EHADRM Cc1cccc(CSCC(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC000321403290 600199860 /nfs/dbraw/zinc/19/98/60/600199860.db2.gz QJGREWOVBDKSME-UHFFFAOYSA-N -1 0 333.384 3.704 20 0 EHADRM COc1ccccc1C/C(C)=C/C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000738124589 600202056 /nfs/dbraw/zinc/20/20/56/600202056.db2.gz SFYZZTVHFQZBDI-ZRDIBKRKSA-N -1 0 343.354 3.660 20 0 EHADRM CCCc1c(C(=O)Nc2ccc(C(=O)[O-])cc2F)[nH]c(C)c1C(C)=O ZINC000737043345 600202141 /nfs/dbraw/zinc/20/21/41/600202141.db2.gz JPKHEVFAMYBZJO-UHFFFAOYSA-N -1 0 346.358 3.568 20 0 EHADRM C/C(=C\C(=O)N[C@H](CCC(=O)[O-])c1ccccc1)c1cccc(F)c1 ZINC000736119776 600202489 /nfs/dbraw/zinc/20/24/89/600202489.db2.gz BXPNOXVKBKOWAB-QIXNEVBVSA-N -1 0 341.382 3.951 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000739486064 600202847 /nfs/dbraw/zinc/20/28/47/600202847.db2.gz UNUNTRSGYVGHRW-UHFFFAOYSA-N -1 0 342.301 3.706 20 0 EHADRM CC(C)C[C@@H](NC(=O)[O-])C(=O)O[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000736424544 600203077 /nfs/dbraw/zinc/20/30/77/600203077.db2.gz IHBJAIIAAVCZQG-GXFFZTMASA-N -1 0 345.342 3.575 20 0 EHADRM Cc1ccc([C@H]2NC(=O)N(Cc3cccs3)C(C)=C2C(=O)[O-])cc1 ZINC000736749668 600206176 /nfs/dbraw/zinc/20/61/76/600206176.db2.gz DPHGQGDADJOLOS-MRXNPFEDSA-N -1 0 342.420 3.682 20 0 EHADRM CCCN(C(=O)c1cccc(OCC(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000737009563 600207698 /nfs/dbraw/zinc/20/76/98/600207698.db2.gz SVNKBCKKHZIDGT-UHFFFAOYSA-N -1 0 347.798 3.860 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NCC(=O)Nc2ccccc2Cl)c1 ZINC000739307598 600208035 /nfs/dbraw/zinc/20/80/35/600208035.db2.gz BGSPIRSOYCNBGD-UHFFFAOYSA-N -1 0 339.178 3.742 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1cccc(F)c1 ZINC000237593944 600208080 /nfs/dbraw/zinc/20/80/80/600208080.db2.gz SNFUBXCOTZFRHL-ZDUSSCGKSA-N -1 0 329.371 3.975 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000738756917 600208090 /nfs/dbraw/zinc/20/80/90/600208090.db2.gz QJLVCNWTRHVEEB-XIKOKIGWSA-N -1 0 347.361 3.709 20 0 EHADRM O=C([O-])CSCCC(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000739849579 600209407 /nfs/dbraw/zinc/20/94/07/600209407.db2.gz NDGLMIHBIIEMCQ-UHFFFAOYSA-N -1 0 337.441 3.545 20 0 EHADRM O=C([O-])c1ccc(NC(=O)C2CCCCCC2)c(OC(F)F)c1 ZINC000621564783 600213003 /nfs/dbraw/zinc/21/30/03/600213003.db2.gz VUJRSMOMRLGQLW-UHFFFAOYSA-N -1 0 327.327 3.895 20 0 EHADRM O=C([O-])c1ccc(NC(=O)c2cc3ccccc3[nH]2)c(OC(F)F)c1 ZINC000740150110 600213169 /nfs/dbraw/zinc/21/31/69/600213169.db2.gz ILCLRHPMNIUQFY-UHFFFAOYSA-N -1 0 346.289 3.720 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCCc2ccccc2)c(OC(F)F)c1 ZINC000739236666 600213251 /nfs/dbraw/zinc/21/32/51/600213251.db2.gz QCMMGVYDUWWSHB-UHFFFAOYSA-N -1 0 349.333 3.948 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)c(C)c1 ZINC000738513338 600214294 /nfs/dbraw/zinc/21/42/94/600214294.db2.gz JZVNXMHWFDNNIC-UHFFFAOYSA-N -1 0 335.306 3.855 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)CCSc2ccc(F)cc2)c2ccccc21 ZINC000177476033 600216876 /nfs/dbraw/zinc/21/68/76/600216876.db2.gz FPPMIROOFPZPAW-HNNXBMFYSA-N -1 0 345.395 3.523 20 0 EHADRM C[C@H]1CCc2sc(C(=O)N3C[C@@H](C(=O)[O-])c4ccccc43)cc2C1 ZINC000177480660 600220470 /nfs/dbraw/zinc/22/04/70/600220470.db2.gz SUPKDNDLPWGLDA-SMDDNHRTSA-N -1 0 341.432 3.702 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2ccc(Cl)cc2Cl)c2ccccc21 ZINC000177472663 600222607 /nfs/dbraw/zinc/22/26/07/600222607.db2.gz UASMWPWISRYDRR-LBPRGKRZSA-N -1 0 336.174 3.822 20 0 EHADRM Cc1ccc(OCc2nc(CN(CCC(=O)[O-])C(C)C)cs2)cc1 ZINC000652479225 600223094 /nfs/dbraw/zinc/22/30/94/600223094.db2.gz REPFOMQEXJLMTE-UHFFFAOYSA-N -1 0 348.468 3.716 20 0 EHADRM Cc1cc(C)cc(C2(C(=O)N3C[C@@H](C(=O)[O-])c4ccccc43)CC2)c1 ZINC000738363936 600225148 /nfs/dbraw/zinc/22/51/48/600225148.db2.gz OYZPRISDLUMHJM-QGZVFWFLSA-N -1 0 335.403 3.550 20 0 EHADRM CCOc1ccc(NC(=O)Nc2cccc(NC(=O)[O-])c2)cc1OC ZINC000737202422 600225535 /nfs/dbraw/zinc/22/55/35/600225535.db2.gz FMJWUWKWCHSTSD-UHFFFAOYSA-N -1 0 345.355 3.828 20 0 EHADRM O=C([O-])[C@H]1CN(C(=O)c2cc3c(s2)CCCCC3)c2ccccc21 ZINC000177481440 600227026 /nfs/dbraw/zinc/22/70/26/600227026.db2.gz WTIDAKHYPZXKSG-AWEZNQCLSA-N -1 0 341.432 3.846 20 0 EHADRM CC(C)(C)c1ccc(CCCCC(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000236583949 600234534 /nfs/dbraw/zinc/23/45/34/600234534.db2.gz ZRZZDHWYJAKNNY-KRWDZBQOSA-N -1 0 331.456 3.773 20 0 EHADRM Cc1oc(CN(C)C(=O)c2ccc(-c3ccccc3)[nH]2)cc1C(=O)[O-] ZINC000178184784 600241143 /nfs/dbraw/zinc/24/11/43/600241143.db2.gz IQEHGEFZBHFIHK-UHFFFAOYSA-N -1 0 338.363 3.554 20 0 EHADRM Cc1csc(C(C)(C)NC(=O)Nc2ccc(CCC(=O)[O-])cc2)n1 ZINC000738816397 600242315 /nfs/dbraw/zinc/24/23/15/600242315.db2.gz JTRHJRNDQWGRNM-UHFFFAOYSA-N -1 0 347.440 3.526 20 0 EHADRM CCc1cccc(CC)c1NC(=S)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000737266275 600247503 /nfs/dbraw/zinc/24/75/03/600247503.db2.gz AAUZJSFPQMVCSA-HNNXBMFYSA-N -1 0 346.496 3.695 20 0 EHADRM O=C([O-])c1ccsc1NC(=O)c1cccc(Oc2nccs2)c1 ZINC000739490892 600248030 /nfs/dbraw/zinc/24/80/30/600248030.db2.gz QTSGNHOGQZOUJE-UHFFFAOYSA-N -1 0 346.389 3.947 20 0 EHADRM CC(C)c1ccc(NC(=S)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000736515526 600248329 /nfs/dbraw/zinc/24/83/29/600248329.db2.gz OWDFCBPYKRBMQE-OAHLLOKOSA-N -1 0 332.469 3.694 20 0 EHADRM COc1cccc(C(=O)[O-])c1OC(=O)C[C@H]1CCCc2ccccc21 ZINC000738085336 600248341 /nfs/dbraw/zinc/24/83/41/600248341.db2.gz NVQDDFWXHDVTRI-CQSZACIVSA-N -1 0 340.375 3.809 20 0 EHADRM COc1cc(C)sc1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000676001426 600249102 /nfs/dbraw/zinc/24/91/02/600249102.db2.gz JOTNGSXHRQEUDU-UHFFFAOYSA-N -1 0 325.773 3.669 20 0 EHADRM O=C([O-])c1ccc(C(=O)Nc2ccc(Oc3ccccn3)cc2)s1 ZINC000740114359 600251643 /nfs/dbraw/zinc/25/16/43/600251643.db2.gz BTODIWJJGPEOJH-UHFFFAOYSA-N -1 0 340.360 3.886 20 0 EHADRM Cc1cc(NC(=O)c2cc3c(ccc4ccccc34)[nH]2)c(C(=O)[O-])[nH]1 ZINC000738449133 600255322 /nfs/dbraw/zinc/25/53/22/600255322.db2.gz VHIAOVVXGTYSLQ-UHFFFAOYSA-N -1 0 333.347 3.908 20 0 EHADRM O=C([O-])CC1CCN(C(=O)C2(Sc3ccccc3)CCCC2)CC1 ZINC000262442394 600255725 /nfs/dbraw/zinc/25/57/25/600255725.db2.gz OBHRFNRALPZUDV-UHFFFAOYSA-N -1 0 347.480 3.805 20 0 EHADRM Cc1cc(NC(=O)c2cn(CC(C)C)c3ccccc23)c(C(=O)[O-])[nH]1 ZINC000738453233 600256796 /nfs/dbraw/zinc/25/67/96/600256796.db2.gz GNBYPTSLRZHXIH-UHFFFAOYSA-N -1 0 339.395 3.884 20 0 EHADRM Cc1cc(Cl)cc(NC(=O)CCc2ccc(C(=O)[O-])cc2)c1O ZINC000738399580 600266796 /nfs/dbraw/zinc/26/67/96/600266796.db2.gz OUMGHDKQQIPDPS-UHFFFAOYSA-N -1 0 333.771 3.624 20 0 EHADRM O=C([O-])[C@@H]1CC12CCN(C(=O)[C@H]1C[C@H]1c1cccc3ccccc31)CC2 ZINC000262158019 600268218 /nfs/dbraw/zinc/26/82/18/600268218.db2.gz PEIWYBROGQRXOI-FHWLQOOXSA-N -1 0 349.430 3.657 20 0 EHADRM CC(C)(C)c1ccc(/C=C\C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000736298359 600273870 /nfs/dbraw/zinc/27/38/70/600273870.db2.gz QJOZIWWXJLROQP-UXHZXRBQSA-N -1 0 341.451 3.711 20 0 EHADRM Cc1cccc(C2(C(=O)N3CCC4(C[C@@H]4C(=O)[O-])CC3)CCCC2)c1 ZINC000262465543 600274792 /nfs/dbraw/zinc/27/47/92/600274792.db2.gz RHAOQGRUVHEPDH-QGZVFWFLSA-N -1 0 341.451 3.520 20 0 EHADRM C[C@H](Sc1nc2ccc(C(=O)[O-])cc2o1)C(=O)c1ccccc1 ZINC000736719047 600275397 /nfs/dbraw/zinc/27/53/97/600275397.db2.gz XHMZHWKDWBKDRG-JTQLQIEISA-N -1 0 327.361 3.890 20 0 EHADRM Cc1cc(F)ccc1-c1ccc(C(=O)NC(C)(C)C(=O)[O-])cc1F ZINC000237648488 600280724 /nfs/dbraw/zinc/28/07/24/600280724.db2.gz OBZDLTWODIURIO-UHFFFAOYSA-N -1 0 333.334 3.533 20 0 EHADRM CCCC[C@H](CC)CC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000736982405 600281249 /nfs/dbraw/zinc/28/12/49/600281249.db2.gz NTXZPWVNARONQJ-MEDUHNTESA-N -1 0 327.371 3.813 20 0 EHADRM CN(Cc1ccc(NC(=O)/C=C\c2cccc(F)c2)cc1)C(=O)[O-] ZINC000737479357 600281930 /nfs/dbraw/zinc/28/19/30/600281930.db2.gz XCPUZECEASZCFG-YFHOEESVSA-N -1 0 328.343 3.587 20 0 EHADRM CC(C)Oc1ccccc1C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736494243 600285251 /nfs/dbraw/zinc/28/52/51/600285251.db2.gz KRZDRABQZMKVJS-UHFFFAOYSA-N -1 0 342.395 3.836 20 0 EHADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccc(CNC(=O)[O-])cc2)o1 ZINC000736762472 600290598 /nfs/dbraw/zinc/29/05/98/600290598.db2.gz BCOVTOJFRKIXQU-WBMJQRKESA-N -1 0 342.395 3.742 20 0 EHADRM C[C@H](CSc1ccccc1)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736616976 600291608 /nfs/dbraw/zinc/29/16/08/600291608.db2.gz FGMDIPKEXCKUKY-CYBMUJFWSA-N -1 0 344.436 3.821 20 0 EHADRM CCCN(C)c1ccc(C(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000737007364 600296953 /nfs/dbraw/zinc/29/69/53/600296953.db2.gz GAKIPLFNWKOBSR-UHFFFAOYSA-N -1 0 341.411 3.553 20 0 EHADRM Cc1cc(C(F)(F)F)c(Nc2ccc(CN(C)C(=O)[O-])cc2)nn1 ZINC000738351323 600313764 /nfs/dbraw/zinc/31/37/64/600313764.db2.gz HUFUMCXYKZSXAI-UHFFFAOYSA-N -1 0 340.305 3.657 20 0 EHADRM O=C([O-])[C@@H](OC(=O)/C=C/c1cccc(F)c1)c1cccc(Cl)c1 ZINC000739214025 600321479 /nfs/dbraw/zinc/32/14/79/600321479.db2.gz BPUCDCBIZQCMES-WAVCKPEOSA-N -1 0 334.730 3.861 20 0 EHADRM O=C([O-])[C@H](OC(=O)c1c(F)cccc1F)c1cccc(Cl)c1 ZINC000740289070 600321801 /nfs/dbraw/zinc/32/18/01/600321801.db2.gz COMDKZWYAHVUNA-CYBMUJFWSA-N -1 0 326.682 3.601 20 0 EHADRM O=C([O-])[C@@H](OC(=O)c1c(F)cccc1F)c1cccc(Cl)c1 ZINC000740289071 600321848 /nfs/dbraw/zinc/32/18/48/600321848.db2.gz COMDKZWYAHVUNA-ZDUSSCGKSA-N -1 0 326.682 3.601 20 0 EHADRM O=C([O-])[C@@H](OC(=O)Cc1ccc2c(c1)CCC2)c1cccc(Cl)c1 ZINC000739346573 600323754 /nfs/dbraw/zinc/32/37/54/600323754.db2.gz RBMZKLHGDNSFCZ-SFHVURJKSA-N -1 0 344.794 3.740 20 0 EHADRM C[C@@H](C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1)c1ccccc1F ZINC000736227570 600329422 /nfs/dbraw/zinc/32/94/22/600329422.db2.gz VUFPWUYNWWRLDL-MEBBXXQBSA-N -1 0 336.746 3.952 20 0 EHADRM CCOc1cc(C)ccc1NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737192683 600337022 /nfs/dbraw/zinc/33/70/22/600337022.db2.gz ICEOIBRVABUKIJ-UHFFFAOYSA-N -1 0 343.383 3.805 20 0 EHADRM CC[C@@H]1c2ccsc2CCN1C(=O)/C=C\c1ccc(C(=O)[O-])cc1 ZINC000736948377 600337110 /nfs/dbraw/zinc/33/71/10/600337110.db2.gz FRDOHFPYKLDJRZ-KQQSKNTNSA-N -1 0 341.432 3.996 20 0 EHADRM CC[C@@H](C)Oc1ccc(NC(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000736887630 600337364 /nfs/dbraw/zinc/33/73/64/600337364.db2.gz UEHMHPFNFLRIOJ-CZUORRHYSA-N -1 0 346.427 3.583 20 0 EHADRM C[C@@H]1CCC[C@H](N(C)C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)C1 ZINC000736773548 600340305 /nfs/dbraw/zinc/34/03/05/600340305.db2.gz BGMZWGXDZQFSKU-CJNGLKHVSA-N -1 0 333.432 3.839 20 0 EHADRM Cc1ccc(CNC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)c(C)c1 ZINC000738602255 600346779 /nfs/dbraw/zinc/34/67/79/600346779.db2.gz MGDMVPHFQHYLHP-UHFFFAOYSA-N -1 0 341.411 3.735 20 0 EHADRM CCCCC1CCC(NC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)CC1 ZINC000736984081 600349368 /nfs/dbraw/zinc/34/93/68/600349368.db2.gz GHLSFWQRCAILEL-GPANFISMSA-N -1 0 336.476 3.632 20 0 EHADRM Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000738671586 600350790 /nfs/dbraw/zinc/35/07/90/600350790.db2.gz ZWCRTROCTCZUAU-QGZVFWFLSA-N -1 0 339.395 3.572 20 0 EHADRM C[C@H]1c2ccccc2CCN1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736839854 600351336 /nfs/dbraw/zinc/35/13/36/600351336.db2.gz GRQPNCHBDRCMSD-ZDUSSCGKSA-N -1 0 339.395 3.605 20 0 EHADRM CCC[C@H](NC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccccn1 ZINC000736974777 600352711 /nfs/dbraw/zinc/35/27/11/600352711.db2.gz VKLUJTNBPHLKKS-INIZCTEOSA-N -1 0 342.399 3.512 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1c(F)cccc1F ZINC000736649962 600353234 /nfs/dbraw/zinc/35/32/34/600353234.db2.gz XXVPWBOGLDYLAH-SNVBAGLBSA-N -1 0 349.337 3.615 20 0 EHADRM CCN(Cc1ccccc1C)C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000737103334 600354517 /nfs/dbraw/zinc/35/45/17/600354517.db2.gz HXKPKLAJAJKYEG-UHFFFAOYSA-N -1 0 341.411 3.817 20 0 EHADRM CCc1nc([C@H](C)NC(=O)Nc2cc(C(=O)[O-])ccc2C)cs1 ZINC000737276687 600355650 /nfs/dbraw/zinc/35/56/50/600355650.db2.gz NHRRWPXDMKWKIE-JTQLQIEISA-N -1 0 333.413 3.595 20 0 EHADRM O=C([O-])c1sc2cccc(F)c2c1Cn1ccc2occc2c1=O ZINC000738715135 600362944 /nfs/dbraw/zinc/36/29/44/600362944.db2.gz SUJWNHKRSSXPAJ-UHFFFAOYSA-N -1 0 343.335 3.695 20 0 EHADRM Cc1cc(NC(=O)c2ccccc2OCC2CC2)sc1C(=O)[O-] ZINC000738452076 600368960 /nfs/dbraw/zinc/36/89/60/600368960.db2.gz SYDCUCZNLPIBMA-UHFFFAOYSA-N -1 0 331.393 3.796 20 0 EHADRM Cc1cnn(-c2ccc(C(=O)Nc3cc(C)c(C(=O)[O-])s3)cc2)c1 ZINC000738810627 600371277 /nfs/dbraw/zinc/37/12/77/600371277.db2.gz YALVMCQEFVMRGC-UHFFFAOYSA-N -1 0 341.392 3.501 20 0 EHADRM CCc1ccc([C@H](C)CC(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1 ZINC000499192020 600375169 /nfs/dbraw/zinc/37/51/69/600375169.db2.gz SBYDMQNJWUVUHR-CQSZACIVSA-N -1 0 341.407 3.845 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)c1ccsc1 ZINC000262390090 600376799 /nfs/dbraw/zinc/37/67/99/600376799.db2.gz KIDIMHQRHLFLGS-LLVKDONJSA-N -1 0 333.409 3.976 20 0 EHADRM C[C@H]1Cc2ccccc2[C@H]1NC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000736825108 600378952 /nfs/dbraw/zinc/37/89/52/600378952.db2.gz KZJRHHLTOFLTTM-QFYYESIMSA-N -1 0 328.343 3.579 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)N2CCCC3(CCCCC3)C2)cc1 ZINC000739823527 600379548 /nfs/dbraw/zinc/37/95/48/600379548.db2.gz IGSJMCVULSBKAQ-UHFFFAOYSA-N -1 0 346.427 3.728 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2ccnc(Oc3ccccc3)c2)c1 ZINC000740215029 600380949 /nfs/dbraw/zinc/38/09/49/600380949.db2.gz FFGNWNCSPOATLS-UHFFFAOYSA-N -1 0 334.331 3.824 20 0 EHADRM CC[C@@H](C)[C@@H]1CCCCN1C(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000736881120 600381165 /nfs/dbraw/zinc/38/11/65/600381165.db2.gz WMBWKYUYSXKVSX-PBHICJAKSA-N -1 0 342.439 3.767 20 0 EHADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)/C=C\c1ccnc2ccccc12 ZINC000493494422 600382065 /nfs/dbraw/zinc/38/20/65/600382065.db2.gz MSVGOKHZSYTJRD-KHPPLWFESA-N -1 0 346.386 3.605 20 0 EHADRM Cc1ccccc1[C@@H]1CCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)C1 ZINC000738767859 600383413 /nfs/dbraw/zinc/38/34/13/600383413.db2.gz HYRXGKSIYFJVQA-CYBMUJFWSA-N -1 0 342.370 3.854 20 0 EHADRM CC[C@H](C(=O)[O-])N(C(=O)Cc1ccc(C)c(C)c1)c1ccccc1 ZINC000736851419 600388319 /nfs/dbraw/zinc/38/83/19/600388319.db2.gz JDHPWQZWDCGQMR-GOSISDBHSA-N -1 0 325.408 3.742 20 0 EHADRM Cc1ncc(C(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)s1 ZINC000178137716 600391131 /nfs/dbraw/zinc/39/11/31/600391131.db2.gz SATHXXIQIRBNES-CQSZACIVSA-N -1 0 346.452 3.695 20 0 EHADRM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)CCCN(C)C(=O)[O-])cc1 ZINC000738584157 600391201 /nfs/dbraw/zinc/39/12/01/600391201.db2.gz UMUWBZXNFFMWHF-QAPCUYQASA-N -1 0 332.444 3.685 20 0 EHADRM C/C(=C\C(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1)C1CC1 ZINC000736120774 600391799 /nfs/dbraw/zinc/39/17/99/600391799.db2.gz KTXJGWOHJPXSFF-HVJHFUJKSA-N -1 0 329.440 3.972 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000736860949 600396134 /nfs/dbraw/zinc/39/61/34/600396134.db2.gz FEAIMPOXQDJUHF-GOSISDBHSA-N -1 0 330.359 3.971 20 0 EHADRM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000736823243 600401165 /nfs/dbraw/zinc/40/11/65/600401165.db2.gz BPNHIAIGONUXBI-HWPZZCPQSA-N -1 0 328.343 3.579 20 0 EHADRM CC(C)(C)C(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1C(=O)[O-] ZINC000736232264 600407107 /nfs/dbraw/zinc/40/71/07/600407107.db2.gz NCTNWAPAVYQCLV-UHFFFAOYSA-N -1 0 341.363 3.731 20 0 EHADRM CCCN(CC(C)C)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000737018201 600407288 /nfs/dbraw/zinc/40/72/88/600407288.db2.gz LUUHTMYKFOERBI-UHFFFAOYSA-N -1 0 344.358 3.886 20 0 EHADRM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000237576811 600411468 /nfs/dbraw/zinc/41/14/68/600411468.db2.gz HUHMRDVPAOCVQK-STQMWFEESA-N -1 0 329.421 3.773 20 0 EHADRM Cc1[nH]c(C(=O)N2C[C@H](c3ccccc3C)C[C@H]2C)c(C)c1C(=O)[O-] ZINC000738319068 600411988 /nfs/dbraw/zinc/41/19/88/600411988.db2.gz DTCDZSJZEUSJPC-IUODEOHRSA-N -1 0 340.423 3.656 20 0 EHADRM CC[C@@H](CC1CCCC1)C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000485798958 600414058 /nfs/dbraw/zinc/41/40/58/600414058.db2.gz UMWJHPKZFDSCKA-IRXDYDNUSA-N -1 0 349.446 3.792 20 0 EHADRM O=C([O-])[C@H](NCc1ccc(Cl)o1)c1ccc(Br)cc1 ZINC000739499821 600417492 /nfs/dbraw/zinc/41/74/92/600417492.db2.gz KGYZBXFFVWCOQW-GFCCVEGCSA-N -1 0 344.592 3.611 20 0 EHADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)Cc1ccccc1 ZINC000236630956 600425892 /nfs/dbraw/zinc/42/58/92/600425892.db2.gz AMXUWRSXCOHABH-CQSZACIVSA-N -1 0 341.407 3.989 20 0 EHADRM CN(C(=O)[O-])c1ccc(NC(=O)C[C@H]2CCc3ccccc3C2)cc1 ZINC000737331287 600426786 /nfs/dbraw/zinc/42/67/86/600426786.db2.gz HRZKRZPRJGJIFX-AWEZNQCLSA-N -1 0 338.407 3.935 20 0 EHADRM Cc1oc(C(=O)[O-])cc1CN(Cc1ccco1)Cc1ccc(O)cc1 ZINC000738957437 600431952 /nfs/dbraw/zinc/43/19/52/600431952.db2.gz KOONTEPWSJKHEB-UHFFFAOYSA-N -1 0 341.363 3.787 20 0 EHADRM C[C@@H](N[C@H](C(=O)[O-])c1ccc(F)cc1)c1nc2ccccc2s1 ZINC000736662095 600438707 /nfs/dbraw/zinc/43/87/07/600438707.db2.gz LSENTCGIUIPAFV-BMIGLBTASA-N -1 0 330.384 3.912 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@H]1CSc2ccccc21 ZINC000738533215 600440301 /nfs/dbraw/zinc/44/03/01/600440301.db2.gz PEYZGCZIOPLHJQ-AWEZNQCLSA-N -1 0 328.393 3.662 20 0 EHADRM O=C([O-])c1cc(OCc2cc(-c3cccs3)on2)ccc1[N+](=O)[O-] ZINC000392624971 600441813 /nfs/dbraw/zinc/44/18/13/600441813.db2.gz PNZNUAIPNLQHOX-UHFFFAOYSA-N -1 0 346.320 3.589 20 0 EHADRM CCOc1ccccc1CCC(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737210163 600445930 /nfs/dbraw/zinc/44/59/30/600445930.db2.gz AXKJQTYXIGUOIX-SFHVURJKSA-N -1 0 346.354 3.526 20 0 EHADRM Cc1ccccc1-n1cc(C(=O)Nc2cccc(NC(=O)[O-])c2)cn1 ZINC000738755621 600447720 /nfs/dbraw/zinc/44/77/20/600447720.db2.gz AUYIVQMDBWCAML-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM CCn1cc(C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)c2ccccc21 ZINC000737301813 600448103 /nfs/dbraw/zinc/44/81/03/600448103.db2.gz BDUHPGJQJSESRO-KRWDZBQOSA-N -1 0 341.338 3.783 20 0 EHADRM Cc1cc(C)n([C@H](C)C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])n1 ZINC000738370583 600451785 /nfs/dbraw/zinc/45/17/85/600451785.db2.gz FEYLWYMPPSMFPC-LLVKDONJSA-N -1 0 349.456 3.757 20 0 EHADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)OCC(F)(F)F)cc1 ZINC000736297112 600455009 /nfs/dbraw/zinc/45/50/09/600455009.db2.gz NYAQTLMSWJQDMB-GFCCVEGCSA-N -1 0 347.333 3.788 20 0 EHADRM Cc1ccc2cccc(NC(=O)N[C@@H](CC(=O)[O-])c3ccccc3)c2n1 ZINC000738297005 600456522 /nfs/dbraw/zinc/45/65/22/600456522.db2.gz DJCYNLUFGWIZOK-KRWDZBQOSA-N -1 0 349.390 3.881 20 0 EHADRM CC(C)[C@@H]1CCC[C@@H](NC(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000736394912 600462170 /nfs/dbraw/zinc/46/21/70/600462170.db2.gz LEPDSIDYJFMDRE-NVXWUHKLSA-N -1 0 347.459 3.833 20 0 EHADRM CC(C)[C@@H](CC(=O)N(C)c1nc(CC(=O)[O-])cs1)c1ccccc1 ZINC000736351472 600467695 /nfs/dbraw/zinc/46/76/95/600467695.db2.gz GADQIARJGMHARL-OAHLLOKOSA-N -1 0 346.452 3.563 20 0 EHADRM Cc1ccc(OC(=O)C[C@H]2CCOc3ccccc32)c(C(=O)[O-])c1 ZINC000738637124 600473311 /nfs/dbraw/zinc/47/33/11/600473311.db2.gz ARYYHVCLWYCDES-CYBMUJFWSA-N -1 0 326.348 3.555 20 0 EHADRM CC[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1F ZINC000736913602 600475231 /nfs/dbraw/zinc/47/52/31/600475231.db2.gz DLOIADMEJQMCFT-HNNXBMFYSA-N -1 0 334.322 3.936 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2CSc3ccccc32)cc1Cl ZINC000238179547 600477872 /nfs/dbraw/zinc/47/78/72/600477872.db2.gz YVPVJJYHWFKZLX-LBPRGKRZSA-N -1 0 333.796 3.866 20 0 EHADRM C[C@@H]1c2ccc(F)cc2CCN1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000736840006 600478162 /nfs/dbraw/zinc/47/81/62/600478162.db2.gz INTUSXWWMGGLIK-SNVBAGLBSA-N -1 0 346.333 3.814 20 0 EHADRM CC(C)(C)c1ccc(/C=C\C(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000736298829 600478394 /nfs/dbraw/zinc/47/83/94/600478394.db2.gz USETYSIBVKIOSN-WDZFZDKYSA-N -1 0 327.380 3.605 20 0 EHADRM O=C([O-])[C@@H]1CCCN(C(=O)Nc2ccc3nc(C4CC4)sc3c2)C1 ZINC000263504125 600479356 /nfs/dbraw/zinc/47/93/56/600479356.db2.gz UYRALAYBEVJNBZ-LLVKDONJSA-N -1 0 345.424 3.502 20 0 EHADRM Cc1ccc(CCC(=O)Nc2ccc(OCCCC(=O)[O-])cc2)cc1 ZINC000237688720 600479558 /nfs/dbraw/zinc/47/95/58/600479558.db2.gz LDEHNECDZQVQCA-UHFFFAOYSA-N -1 0 341.407 3.810 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)C2(c3cccc(F)c3)CCCCC2)o1 ZINC000238106134 600479593 /nfs/dbraw/zinc/47/95/93/600479593.db2.gz NRHIXLJGTCBOMA-UHFFFAOYSA-N -1 0 345.370 3.635 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CSc2ccc(F)cc2)cc1Cl ZINC000238115673 600480739 /nfs/dbraw/zinc/48/07/39/600480739.db2.gz ACCBWMWQAAHPTM-UHFFFAOYSA-N -1 0 339.775 3.908 20 0 EHADRM C[C@@H]1CCCC[C@@H]1CC(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000537370842 600483431 /nfs/dbraw/zinc/48/34/31/600483431.db2.gz QBICUVQNJBQTGO-NVXWUHKLSA-N -1 0 347.455 3.763 20 0 EHADRM CC(C)Oc1c(Cl)cccc1NC(=O)NCCCCCC(=O)[O-] ZINC000417748447 600484262 /nfs/dbraw/zinc/48/42/62/600484262.db2.gz IHALDMZEQNLQAS-UHFFFAOYSA-N -1 0 342.823 3.894 20 0 EHADRM CC(C)(C)[C@H]1OCCC[C@H]1CNc1nc(Cl)c(C(=O)[O-])s1 ZINC000736249603 600488340 /nfs/dbraw/zinc/48/83/40/600488340.db2.gz HRUVOCLCAYYXIJ-WPRPVWTQSA-N -1 0 332.853 3.748 20 0 EHADRM CCC(CC)[C@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000263050279 600488286 /nfs/dbraw/zinc/48/82/86/600488286.db2.gz RASOVWMEKPYMNJ-SJORKVTESA-N -1 0 332.444 3.670 20 0 EHADRM O=C([O-])CCCCNC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000237922832 600491657 /nfs/dbraw/zinc/49/16/57/600491657.db2.gz MWABVSOHEIVNPJ-UHFFFAOYSA-N -1 0 349.333 3.742 20 0 EHADRM Cc1oc(C)c(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c1C ZINC000678982890 600496595 /nfs/dbraw/zinc/49/65/95/600496595.db2.gz FHTMMWLOUUQCIG-UHFFFAOYSA-N -1 0 331.368 3.701 20 0 EHADRM Cc1ccccc1[C@H](NC(=O)NCc1ccc(C(=O)[O-])cc1)C1CC1 ZINC000263242117 600503993 /nfs/dbraw/zinc/50/39/93/600503993.db2.gz NWEMSLJPJCQOST-GOSISDBHSA-N -1 0 338.407 3.644 20 0 EHADRM O=C([O-])[C@@H](OC(=O)[C@H]1CSc2ccccc21)c1cccc(Cl)c1 ZINC000740288423 600505647 /nfs/dbraw/zinc/50/56/47/600505647.db2.gz AAIGSKCKQVWMTF-ZFWWWQNUSA-N -1 0 348.807 3.898 20 0 EHADRM Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)OC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000738492988 600512098 /nfs/dbraw/zinc/51/20/98/600512098.db2.gz KVAIUNQLPHACBY-FPMFFAJLSA-N -1 0 345.420 3.752 20 0 EHADRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1cccc(O)c1 ZINC000736648902 600513492 /nfs/dbraw/zinc/51/34/92/600513492.db2.gz MTUUYSHNSNFURW-SECBINFHSA-N -1 0 334.759 3.627 20 0 EHADRM CCN(CCC(F)(F)F)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000737100857 600515051 /nfs/dbraw/zinc/51/50/51/600515051.db2.gz NCEINCWHLFMQDT-UHFFFAOYSA-N -1 0 338.713 3.844 20 0 EHADRM CC[C@H](NC(=O)NCc1ccc(C(=O)[O-])o1)c1cccc(Cl)c1 ZINC000736914308 600529291 /nfs/dbraw/zinc/52/92/91/600529291.db2.gz OPWNXJGSBBPQDV-ZDUSSCGKSA-N -1 0 336.775 3.582 20 0 EHADRM CC(C)(C)[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000324671314 600531572 /nfs/dbraw/zinc/53/15/72/600531572.db2.gz KTCWLHYAKMXHQG-MRXNPFEDSA-N -1 0 327.380 3.708 20 0 EHADRM COc1ccccc1CC(C)(C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000120266760 600532617 /nfs/dbraw/zinc/53/26/17/600532617.db2.gz IPJUSFDHGULHBH-UHFFFAOYSA-N -1 0 341.407 3.909 20 0 EHADRM CC(C)(CCCc1ccccc1)C(=O)Nc1ncc(C(=O)[O-])s1 ZINC000736320436 600533055 /nfs/dbraw/zinc/53/30/55/600533055.db2.gz TTXIMTGJHSNVST-UHFFFAOYSA-N -1 0 332.425 3.829 20 0 EHADRM COc1ccccc1CC(C)(C)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000237136860 600533457 /nfs/dbraw/zinc/53/34/57/600533457.db2.gz JKCCDYFLODKVQR-UHFFFAOYSA-N -1 0 345.370 3.740 20 0 EHADRM COc1ccc2cc([C@H](C)C(=O)N[C@H](C(=O)[O-])C(C)(C)C)ccc2c1 ZINC000649355908 600535116 /nfs/dbraw/zinc/53/51/16/600535116.db2.gz GEQPSFBOAQIULN-YVEFUNNKSA-N -1 0 343.423 3.567 20 0 EHADRM O=C([O-])c1ccc(CNC(=O)Nc2cccc(Cl)c2Cl)o1 ZINC000094555703 600539315 /nfs/dbraw/zinc/53/93/15/600539315.db2.gz DALFZSKDDSIMEL-UHFFFAOYSA-N -1 0 329.139 3.606 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2cc(C3CCCCCC3)[nH]n2)c1 ZINC000740215687 600540748 /nfs/dbraw/zinc/54/07/48/600540748.db2.gz ICULLZJHNOXFRE-UHFFFAOYSA-N -1 0 327.384 3.798 20 0 EHADRM O=C([O-])c1cc(NC(=O)NC/C=C\c2ccccc2)ccc1Cl ZINC000739413320 600547366 /nfs/dbraw/zinc/54/73/66/600547366.db2.gz AGDTTZJKCLYOGM-DAXSKMNVSA-N -1 0 330.771 3.873 20 0 EHADRM Cc1nc2c(s1)[C@@H](OC(=O)CCc1ccc(C(=O)[O-])cc1)CCC2 ZINC000738872123 600550179 /nfs/dbraw/zinc/55/01/79/600550179.db2.gz ASZSGGAFTRJMMR-HNNXBMFYSA-N -1 0 345.420 3.703 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000236766808 600558344 /nfs/dbraw/zinc/55/83/44/600558344.db2.gz QMOOMUHOJCEPAA-UHFFFAOYSA-N -1 0 335.787 3.925 20 0 EHADRM CC(C)N(CCC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000236746701 600559919 /nfs/dbraw/zinc/55/99/19/600559919.db2.gz KATYZSVRIADFOY-QWHCGFSZSA-N -1 0 344.238 3.809 20 0 EHADRM O=C([O-])c1ccc(CS[C@H]2CCCN(c3ccccc3)C2=O)cc1 ZINC000740135045 600567585 /nfs/dbraw/zinc/56/75/85/600567585.db2.gz KIVYSYQWMGPKBE-KRWDZBQOSA-N -1 0 341.432 3.814 20 0 EHADRM CCS[C@H](C(=O)O[C@@H](C(=O)[O-])c1cccc(Cl)c1)C(C)C ZINC000737228488 600571522 /nfs/dbraw/zinc/57/15/22/600571522.db2.gz AIOGWBUPRAUHOT-OLZOCXBDSA-N -1 0 330.833 3.787 20 0 EHADRM Cc1cc(COC(=O)c2cc(Cl)cc3cccnc32)oc1C(=O)[O-] ZINC000738393754 600580182 /nfs/dbraw/zinc/58/01/82/600580182.db2.gz YHYPMMKZNPAXCE-UHFFFAOYSA-N -1 0 345.738 3.845 20 0 EHADRM Cc1cc(C)c(NC(=O)[C@H](C)S[C@@H](C)CC(=O)[O-])c(Cl)c1 ZINC000738227395 600585686 /nfs/dbraw/zinc/58/56/86/600585686.db2.gz YTXSZCZJJSQHTM-QWRGUYRKSA-N -1 0 329.849 3.880 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)c1cc2occc2s1)c1ccccc1 ZINC000739662535 600588106 /nfs/dbraw/zinc/58/81/06/600588106.db2.gz OXXGVVUMSMRVPZ-GFCCVEGCSA-N -1 0 329.377 3.830 20 0 EHADRM Cc1cnc(-c2cccc(NC(=O)c3ccccc3NC(=O)[O-])c2)o1 ZINC000738802752 600590841 /nfs/dbraw/zinc/59/08/41/600590841.db2.gz PHSJEBUKHQXTPQ-UHFFFAOYSA-N -1 0 337.335 3.992 20 0 EHADRM CN(C(=O)CCc1ccc(Cl)s1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737319599 600591570 /nfs/dbraw/zinc/59/15/70/600591570.db2.gz MJGBCTZAVZEAJQ-HNNXBMFYSA-N -1 0 337.828 3.618 20 0 EHADRM CN(C(=O)/C=C/c1ccnc2ccccc12)[C@H](C(=O)[O-])c1ccccc1 ZINC000737313472 600592431 /nfs/dbraw/zinc/59/24/31/600592431.db2.gz KMOQHDCPCILFNE-SGWGQVFISA-N -1 0 346.386 3.532 20 0 EHADRM CN(C(=O)C[C@H]1CCCc2ccccc21)[C@H](C(=O)[O-])c1ccccc1 ZINC000737317287 600593304 /nfs/dbraw/zinc/59/33/04/600593304.db2.gz GOHHUJPDLKBLQG-XLIONFOSSA-N -1 0 337.419 3.781 20 0 EHADRM Cc1cc(/C=C\C(=O)N(C)C[C@@H](C)C(=O)[O-])c(C)n1C1CCCCC1 ZINC000738380181 600594478 /nfs/dbraw/zinc/59/44/78/600594478.db2.gz XZNCTFHLFQTBBL-IWMPZKFUSA-N -1 0 346.471 3.802 20 0 EHADRM Cc1ccc(SCC(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)c(C)c1 ZINC000738659692 600596009 /nfs/dbraw/zinc/59/60/09/600596009.db2.gz BQSCRVBMCGDQPO-GOSISDBHSA-N -1 0 343.448 3.680 20 0 EHADRM Cc1cc(C(=O)N(CCC(=O)[O-])C(C)C)c(C)n1C1CCCCC1 ZINC000236761118 600596804 /nfs/dbraw/zinc/59/68/04/600596804.db2.gz GDBYPPPHFUOVAT-UHFFFAOYSA-N -1 0 334.460 3.935 20 0 EHADRM C[C@H](CS[C@H](C(=O)Nc1ccccc1)c1ccccc1)C(=O)[O-] ZINC000736607357 600597517 /nfs/dbraw/zinc/59/75/17/600597517.db2.gz PYRJSBXTMZFTAY-CJNGLKHVSA-N -1 0 329.421 3.820 20 0 EHADRM C[C@H](CSCc1nc(-c2cccc(C(F)(F)F)c2)no1)C(=O)[O-] ZINC000321259448 600598664 /nfs/dbraw/zinc/59/86/64/600598664.db2.gz YIBBAAHDUKZCAE-MRVPVSSYSA-N -1 0 346.330 3.709 20 0 EHADRM C[C@@H](CSC[C@H](O)COc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000736614172 600598694 /nfs/dbraw/zinc/59/86/94/600598694.db2.gz TWTGBHOCQWAEAE-WMLDXEAASA-N -1 0 346.448 3.547 20 0 EHADRM CC[C@@](C)(NC(=O)Nc1cc(C(=O)[O-])ccc1C)c1nccs1 ZINC000736860718 600599738 /nfs/dbraw/zinc/59/97/38/600599738.db2.gz DAOSDXLNPVJUEL-MRXNPFEDSA-N -1 0 333.413 3.597 20 0 EHADRM Cc1cc(C)c(/C=C\C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)cc1C ZINC000738356065 600600486 /nfs/dbraw/zinc/60/04/86/600600486.db2.gz QJDKXMRTPMVOEU-JPMGXVIASA-N -1 0 337.419 3.909 20 0 EHADRM CC(C)Cc1ccc(CC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000736454823 600601376 /nfs/dbraw/zinc/60/13/76/600601376.db2.gz XJIAMKQAOKNOBR-FQEVSTJZSA-N -1 0 339.435 3.712 20 0 EHADRM O=C([O-])CN(C(=O)c1csc(-c2ccccc2)n1)c1ccccc1 ZINC000156279615 600603256 /nfs/dbraw/zinc/60/32/56/600603256.db2.gz BEZZAFLYBDWRKA-UHFFFAOYSA-N -1 0 338.388 3.542 20 0 EHADRM O=C([O-])CN(C(=O)c1cc2ccccc2c(Cl)n1)c1ccccc1 ZINC000326345447 600603620 /nfs/dbraw/zinc/60/36/20/600603620.db2.gz CQLPJHSFLLFGMQ-UHFFFAOYSA-N -1 0 340.766 3.620 20 0 EHADRM O=C([O-])CN(C(=O)c1cc2c(cccc2F)s1)c1ccccc1 ZINC000319934959 600604948 /nfs/dbraw/zinc/60/49/48/600604948.db2.gz DCPQCOFDVVDUOC-UHFFFAOYSA-N -1 0 329.352 3.772 20 0 EHADRM C[C@H](CSCC(=O)N[C@@H](c1ccccc1)C1CCCCC1)C(=O)[O-] ZINC000736614444 600605138 /nfs/dbraw/zinc/60/51/38/600605138.db2.gz CPOXTADUTRDYBI-KDOFPFPSSA-N -1 0 349.496 3.878 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)C[C@H]1CCc2ccccc21 ZINC000740242708 600608098 /nfs/dbraw/zinc/60/80/98/600608098.db2.gz QPTYJXPZNZHPRM-OAHLLOKOSA-N -1 0 335.403 3.784 20 0 EHADRM C[C@@H](CCC(C)(C)C)NC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000736561481 600618705 /nfs/dbraw/zinc/61/87/05/600618705.db2.gz IBOANMNSLHWJNH-ZDUSSCGKSA-N -1 0 330.428 3.671 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)c2ccc(-c3cnco3)cc2)c1 ZINC000740072334 600620365 /nfs/dbraw/zinc/62/03/65/600620365.db2.gz LLZYMLCYGRYTEY-UHFFFAOYSA-N -1 0 342.738 3.946 20 0 EHADRM O=C([O-])c1cc(Cl)cc(NC(=O)COc2ccc(Cl)cc2)c1 ZINC000317150971 600620912 /nfs/dbraw/zinc/62/09/12/600620912.db2.gz GGEIZNSTKBGUAR-UHFFFAOYSA-N -1 0 340.162 3.709 20 0 EHADRM CC[C@@H]1CCCCCN1C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736942472 600626864 /nfs/dbraw/zinc/62/68/64/600626864.db2.gz UKOYDVFZTCRJTO-MRXNPFEDSA-N -1 0 333.432 3.983 20 0 EHADRM CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)c1cccc(C(=O)[O-])n1 ZINC000345829117 600634593 /nfs/dbraw/zinc/63/45/93/600634593.db2.gz USZAJSYZSPLVCP-MRXNPFEDSA-N -1 0 346.814 3.903 20 0 EHADRM CSCc1c2ccccc2oc1C(=O)N[C@@H](C(=O)[O-])C(C)(C)C ZINC000738195015 600644839 /nfs/dbraw/zinc/64/48/39/600644839.db2.gz QFTPCAQXTJBKPW-AWEZNQCLSA-N -1 0 335.425 3.525 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)[O-] ZINC000736243384 600646103 /nfs/dbraw/zinc/64/61/03/600646103.db2.gz DVBFBHVSKZADKA-INIZCTEOSA-N -1 0 345.370 3.847 20 0 EHADRM CCN(C(=O)c1cnn(-c2ccccc2C)c1)c1ccccc1C(=O)[O-] ZINC000737061776 600647024 /nfs/dbraw/zinc/64/70/24/600647024.db2.gz IGWUNPBUNOUPHB-UHFFFAOYSA-N -1 0 349.390 3.546 20 0 EHADRM CCN(C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1)c1ccccc1C(=O)[O-] ZINC000737052642 600647328 /nfs/dbraw/zinc/64/73/28/600647328.db2.gz MSMVYIJELDJHPD-KGLIPLIRSA-N -1 0 345.345 3.820 20 0 EHADRM C[C@H]1CCC[C@H](CCNC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000391575498 600647857 /nfs/dbraw/zinc/64/78/57/600647857.db2.gz PGXMDLWWZLPZKR-LSDHHAIUSA-N -1 0 332.444 3.743 20 0 EHADRM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000179967400 600657487 /nfs/dbraw/zinc/65/74/87/600657487.db2.gz NYXJNGFCSRYOGT-IPYPFGDCSA-N -1 0 333.428 3.609 20 0 EHADRM COc1ccccc1/C(C)=C/C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000832589185 600659082 /nfs/dbraw/zinc/65/90/82/600659082.db2.gz LZRZILAYHAOJNV-IENJSVCTSA-N -1 0 344.338 3.607 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000236727440 600661082 /nfs/dbraw/zinc/66/10/82/600661082.db2.gz SIJIPRJNYGAGLA-QZTJIDSGSA-N -1 0 331.456 3.873 20 0 EHADRM C[C@H](CC(C)(C)c1ccccc1)NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000179983294 600661645 /nfs/dbraw/zinc/66/16/45/600661645.db2.gz NIYGJPMCRCTECW-PMPSAXMXSA-N -1 0 331.456 3.750 20 0 EHADRM CCCn1ccc2cc(NC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)ccc21 ZINC000179983317 600663114 /nfs/dbraw/zinc/66/31/14/600663114.db2.gz ANRUIMVYQIRDOZ-CABCVRRESA-N -1 0 328.412 3.881 20 0 EHADRM Cc1csc(-c2ccc(NC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)cc2)n1 ZINC000179987322 600664173 /nfs/dbraw/zinc/66/41/73/600664173.db2.gz HWPXOKXQSYLLBV-ZIAGYGMSSA-N -1 0 344.436 3.948 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2cccc(Oc3ccncc3)c2)C1 ZINC000191593772 600668946 /nfs/dbraw/zinc/66/89/46/600668946.db2.gz KRKZSXFQEFUDAY-KBPBESRZSA-N -1 0 340.379 3.703 20 0 EHADRM CC(C)CCc1noc(CNc2ccc(C(C)(C)C(=O)[O-])cc2)n1 ZINC000736436933 600680605 /nfs/dbraw/zinc/68/06/05/600680605.db2.gz YXNPADXBLDGTJN-UHFFFAOYSA-N -1 0 331.416 3.633 20 0 EHADRM COC(=O)c1ccc(NCc2c(C)cc(C)cc2C)cc1C(=O)[O-] ZINC000737699907 600683374 /nfs/dbraw/zinc/68/33/74/600683374.db2.gz OGTRKVZUGRKAQM-UHFFFAOYSA-N -1 0 327.380 3.709 20 0 EHADRM C[C@H](OC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)c1ccc(C(=O)[O-])o1 ZINC000827816957 600695950 /nfs/dbraw/zinc/69/59/50/600695950.db2.gz FHRXVXQKJRXCJZ-MKPLZMMCSA-N -1 0 336.290 3.664 20 0 EHADRM O=C([O-])c1cccc(-c2noc(CNc3ccccc3Cl)n2)c1 ZINC000833327925 600697118 /nfs/dbraw/zinc/69/71/18/600697118.db2.gz MJJSKOLLEXPHCE-UHFFFAOYSA-N -1 0 329.743 3.700 20 0 EHADRM Cc1ccnn1-c1ccc(-c2nc(-c3cccc(C(=O)[O-])c3)no2)cc1 ZINC000832984976 600698002 /nfs/dbraw/zinc/69/80/02/600698002.db2.gz TWAUXNCRTAVKAA-UHFFFAOYSA-N -1 0 346.346 3.596 20 0 EHADRM CCC[C@@H]1[C@H](C)CCCN1C(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC000829245926 600717574 /nfs/dbraw/zinc/71/75/74/600717574.db2.gz SOEOFRDNYXLAFN-CZUORRHYSA-N -1 0 348.443 3.504 20 0 EHADRM O=C([O-])c1occc1COC(=O)c1cc(Oc2ccccc2)ccn1 ZINC000833352308 600741670 /nfs/dbraw/zinc/74/16/70/600741670.db2.gz BIQFOCCEQWNFNX-UHFFFAOYSA-N -1 0 339.303 3.522 20 0 EHADRM O=C([O-])[C@@H](N[C@H]1COc2ccccc21)c1ccc(Cl)cc1Cl ZINC000833167742 600744827 /nfs/dbraw/zinc/74/48/27/600744827.db2.gz PWCXBXMQDSHAPM-ZFWWWQNUSA-N -1 0 338.190 3.842 20 0 EHADRM CCc1ccc([C@H]2CCCCN2C(=O)NC2CCC(C(=O)[O-])CC2)o1 ZINC000263512139 600747914 /nfs/dbraw/zinc/74/79/14/600747914.db2.gz ZCHDTEOQHHMMFZ-ZBCRRDGASA-N -1 0 348.443 3.722 20 0 EHADRM C[C@H](N[C@H](C(=O)[O-])c1ccccc1F)c1nc2ccccc2s1 ZINC000827718276 600750290 /nfs/dbraw/zinc/75/02/90/600750290.db2.gz PWKWFZRBEXJWMI-BONVTDFDSA-N -1 0 330.384 3.912 20 0 EHADRM CCO[C@H]1C[C@@H](OC(=O)CCc2ccc(C(=O)[O-])cc2)C12CCCC2 ZINC000737164447 600756224 /nfs/dbraw/zinc/75/62/24/600756224.db2.gz DUCIMWAUKSNDGP-DLBZAZTESA-N -1 0 346.423 3.598 20 0 EHADRM CCc1nc(C)c([C@@H](C)OC(=O)CCc2ccc(C(=O)[O-])cc2)s1 ZINC000737280270 600757288 /nfs/dbraw/zinc/75/72/88/600757288.db2.gz FFIOWEHGFNTYLM-GFCCVEGCSA-N -1 0 347.436 3.949 20 0 EHADRM CC(C)(CC(=O)[O-])NC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000736311766 600782899 /nfs/dbraw/zinc/78/28/99/600782899.db2.gz ANQRBCZTWOHDFT-UHFFFAOYSA-N -1 0 348.402 3.885 20 0 EHADRM COc1ccc(-c2cc(C(=O)NC(C)(C)CC(=O)[O-])sc2C)cc1 ZINC000737909581 600783019 /nfs/dbraw/zinc/78/30/19/600783019.db2.gz LYVDZAIUPXTTOU-UHFFFAOYSA-N -1 0 347.436 3.715 20 0 EHADRM Cc1cc(NC(=O)[C@H](c2cccc(Cl)c2)N(C)C)ccc1C(=O)[O-] ZINC000536387592 600786525 /nfs/dbraw/zinc/78/65/25/600786525.db2.gz URRCJKXKLSYVHZ-INIZCTEOSA-N -1 0 346.814 3.588 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@]23CCc2ccccc23)cc1Cl ZINC000192851246 600786606 /nfs/dbraw/zinc/78/66/06/600786606.db2.gz SGABUDRZMUNFPI-KXBFYZLASA-N -1 0 341.794 3.881 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)/C=C/c1cccc(F)c1)c1cccc(Cl)c1 ZINC000776676536 600800562 /nfs/dbraw/zinc/80/05/62/600800562.db2.gz GSYAZJUKYSYUPC-KXPUMZMLSA-N -1 0 347.773 3.825 20 0 EHADRM Cc1cccc([C@H](C)CNC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000738689019 600802619 /nfs/dbraw/zinc/80/26/19/600802619.db2.gz BTSXFGLIVQZTHN-OAHLLOKOSA-N -1 0 340.423 3.638 20 0 EHADRM CSCCCCC(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000832763008 600806250 /nfs/dbraw/zinc/80/62/50/600806250.db2.gz PJODNPUAEYJEPK-ZDUSSCGKSA-N -1 0 329.849 3.505 20 0 EHADRM O=C([O-])c1ccc(COc2cccc(NC(=O)c3cccs3)c2)o1 ZINC000833314156 600806487 /nfs/dbraw/zinc/80/64/87/600806487.db2.gz CGHMTTQIWPWWFT-UHFFFAOYSA-N -1 0 343.360 3.871 20 0 EHADRM COc1cc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)c(C(=O)[O-])cc1OC ZINC000737892991 600823797 /nfs/dbraw/zinc/82/37/97/600823797.db2.gz UMHADEQNOSQLRZ-CHWSQXEVSA-N -1 0 347.411 3.557 20 0 EHADRM COc1ccc(C(=O)[O-])c(NCc2ncc(-c3cccs3)o2)c1 ZINC000832182460 600827802 /nfs/dbraw/zinc/82/78/02/600827802.db2.gz HKAWFFRSAZGILJ-UHFFFAOYSA-N -1 0 330.365 3.722 20 0 EHADRM O=C([O-])c1ccc(F)c(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)c1 ZINC000238150156 600829407 /nfs/dbraw/zinc/82/94/07/600829407.db2.gz ACARJNGYGBOHFB-GHMZBOCLSA-N -1 0 335.281 3.544 20 0 EHADRM O=C([O-])c1cc(F)ccc1NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000740078194 600833365 /nfs/dbraw/zinc/83/33/65/600833365.db2.gz NVKVQENFLUKZFJ-PWSUYJOCSA-N -1 0 335.281 3.544 20 0 EHADRM O=C([O-])[C@@H](Sc1nnc(-c2ccccc2F)o1)c1ccccc1F ZINC000833168875 600834033 /nfs/dbraw/zinc/83/40/33/600834033.db2.gz FRHVSCVIFFQUPM-ZDUSSCGKSA-N -1 0 348.330 3.933 20 0 EHADRM O=C([O-])Nc1cccc(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)c1 ZINC000740042368 600834456 /nfs/dbraw/zinc/83/44/56/600834456.db2.gz GKBQEHSQEIJHSC-STQMWFEESA-N -1 0 332.306 3.797 20 0 EHADRM O=C([O-])C[C@H](NC(=O)[C@@H]1C[C@H]1C1CCCCC1)c1ccc(F)cc1 ZINC000262664919 600835240 /nfs/dbraw/zinc/83/52/40/600835240.db2.gz VLPZUWXNSVCRQH-BBWFWOEESA-N -1 0 333.403 3.674 20 0 EHADRM Cc1ccc(C)c([C@H]2CN(Cc3occc3C(=O)[O-])[C@H](C)CO2)c1 ZINC000577760739 600835729 /nfs/dbraw/zinc/83/57/29/600835729.db2.gz ONXJNHVNHRUIJZ-RDTXWAMCSA-N -1 0 329.396 3.557 20 0 EHADRM CC/C(=C\C(=O)Nc1nc(CC(=O)[O-])cs1)c1ccc(C)cc1 ZINC000736834867 600835794 /nfs/dbraw/zinc/83/57/94/600835794.db2.gz KIHUOSYFMAOQTN-XYOKQWHBSA-N -1 0 330.409 3.511 20 0 EHADRM O=C([O-])[C@@H](Sc1nncn1C1CC1)c1ccc(Cl)cc1Cl ZINC000833170669 600836710 /nfs/dbraw/zinc/83/67/10/600836710.db2.gz RXNFSKMQCAHHQX-NSHDSACASA-N -1 0 344.223 3.838 20 0 EHADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccc3[nH]c(C4CCC4)nc3c2)C1 ZINC000179990827 600836913 /nfs/dbraw/zinc/83/69/13/600836913.db2.gz VSFBRIKEKNWCTQ-STQMWFEESA-N -1 0 341.411 3.660 20 0 EHADRM O=C([O-])[C@@H](Sc1ncccc1Br)c1ccccc1F ZINC000833168728 600841396 /nfs/dbraw/zinc/84/13/96/600841396.db2.gz CMSHZAUTYOZNIR-NSHDSACASA-N -1 0 342.189 3.901 20 0 EHADRM CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000829074609 600841668 /nfs/dbraw/zinc/84/16/68/600841668.db2.gz IHHFOUCHSHQVPG-TZMCWYRMSA-N -1 0 334.416 3.824 20 0 EHADRM CSc1ccc(F)cc1CNC(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000832780724 600843420 /nfs/dbraw/zinc/84/34/20/600843420.db2.gz APQDHITVCAKWMS-UHFFFAOYSA-N -1 0 348.399 3.876 20 0 EHADRM C[C@H](CC(=O)c1ccccc1F)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000827398295 600851441 /nfs/dbraw/zinc/85/14/41/600851441.db2.gz VUIQWXHQIXSJIE-SNVBAGLBSA-N -1 0 347.317 3.511 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000827423039 600854677 /nfs/dbraw/zinc/85/46/77/600854677.db2.gz WELCOPONDIMVRG-AWEZNQCLSA-N -1 0 335.419 3.688 20 0 EHADRM Cc1ccc([C@H]2OCCC[C@H]2C(=O)NCCCCCCC(=O)[O-])cc1 ZINC000262893610 600857396 /nfs/dbraw/zinc/85/73/96/600857396.db2.gz ANOJERXATKYVCF-IEBWSBKVSA-N -1 0 347.455 3.614 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)c2ccccc2C(F)(F)F)c2ccccc21 ZINC000327233845 600861831 /nfs/dbraw/zinc/86/18/31/600861831.db2.gz RYVDJZVIURCMMT-NSHDSACASA-N -1 0 349.308 3.924 20 0 EHADRM COc1cc(C(=O)[O-])ccc1OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000320581318 600864285 /nfs/dbraw/zinc/86/42/85/600864285.db2.gz XVUUILZYZVBFDW-UHFFFAOYSA-N -1 0 337.715 3.534 20 0 EHADRM CCC[C@](C)(NC(=O)c1cc(C2CC2)nc2ccc(F)cc21)C(=O)[O-] ZINC000431467229 600866733 /nfs/dbraw/zinc/86/67/33/600866733.db2.gz YTZDVATUPFSZSD-IBGZPJMESA-N -1 0 344.386 3.625 20 0 EHADRM COc1ccc(C(C)(C)C)cc1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000326577421 600870580 /nfs/dbraw/zinc/87/05/80/600870580.db2.gz AFCTYOGQCDVWGU-STQMWFEESA-N -1 0 333.428 3.822 20 0 EHADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1cccc2cc[nH]c21)C(=O)[O-] ZINC000345769791 600871622 /nfs/dbraw/zinc/87/16/22/600871622.db2.gz DERADCFLBHMKIS-AWEZNQCLSA-N -1 0 336.391 3.531 20 0 EHADRM Cc1nc(-c2cccc(NC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)c2)cs1 ZINC000191558009 600872044 /nfs/dbraw/zinc/87/20/44/600872044.db2.gz OSZZYYSBQHCQEY-ZIAGYGMSSA-N -1 0 344.436 3.948 20 0 EHADRM CC1CCN(c2ccc(NC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)cc2)CC1 ZINC000327904581 600872078 /nfs/dbraw/zinc/87/20/78/600872078.db2.gz FDPDNODQALJKQQ-CVEARBPZSA-N -1 0 344.455 3.752 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2nc(-c3ccccc3)cs2)C1 ZINC000201705340 600872197 /nfs/dbraw/zinc/87/21/97/600872197.db2.gz DHKMQISUNGYSBS-QWHCGFSZSA-N -1 0 330.409 3.640 20 0 EHADRM O=C([O-])Nc1cc(NC(=O)[C@H]2SCCc3ccccc32)ccc1F ZINC000833282988 600874898 /nfs/dbraw/zinc/87/48/98/600874898.db2.gz CORYPJBKSIVNRW-HNNXBMFYSA-N -1 0 346.383 3.885 20 0 EHADRM C[C@@H](CC(=O)Nc1ccc(F)c(C(=O)[O-])c1)C(=O)c1cccc(F)c1 ZINC000827235496 600876181 /nfs/dbraw/zinc/87/61/81/600876181.db2.gz XTOGLNBPOFPWKZ-JTQLQIEISA-N -1 0 347.317 3.511 20 0 EHADRM O=C([O-])c1cc2ccccc2cc1NC(=O)Cc1cc(F)ccc1F ZINC000833116933 600876534 /nfs/dbraw/zinc/87/65/34/600876534.db2.gz KBICVOIPXRIUGT-UHFFFAOYSA-N -1 0 341.313 3.997 20 0 EHADRM C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000262192168 600878131 /nfs/dbraw/zinc/87/81/31/600878131.db2.gz JQBGWZLBGOTTLE-GFCCVEGCSA-N -1 0 345.370 3.594 20 0 EHADRM O=C([O-])c1cccc(-c2nc(C[S@@](=O)c3ccccc3)cs2)c1 ZINC000833326741 600882189 /nfs/dbraw/zinc/88/21/89/600882189.db2.gz USPRVNLATMARFG-HSZRJFAPSA-N -1 0 343.429 3.816 20 0 EHADRM Cc1c(NC(=O)C[C@@H](C)C(=O)c2cccc(F)c2)cccc1C(=O)[O-] ZINC000832857468 600882288 /nfs/dbraw/zinc/88/22/88/600882288.db2.gz OXCKAZRIRPIYCL-LLVKDONJSA-N -1 0 343.354 3.680 20 0 EHADRM CCCCN(Cc1ccccc1F)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000829389870 600885311 /nfs/dbraw/zinc/88/53/11/600885311.db2.gz WBXLOSBTMNDUKO-CABCVRRESA-N -1 0 335.419 3.845 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N(Cc2ccc(Cl)cc2)C2CC2)C1 ZINC000179958837 600885442 /nfs/dbraw/zinc/88/54/42/600885442.db2.gz RWZDZOAOBCUMFP-ZIAGYGMSSA-N -1 0 335.831 3.722 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NC2CCC(c3ccccc3)CC2)C1 ZINC000180111978 600886236 /nfs/dbraw/zinc/88/62/36/600886236.db2.gz AKDLKAYWYCNDIP-JDEYZFBPSA-N -1 0 329.440 3.720 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H]2c2ccccc2Cl)C1 ZINC000245773605 600899138 /nfs/dbraw/zinc/89/91/38/600899138.db2.gz XRAXPBBDGFSUNR-XJKCOSOUSA-N -1 0 335.831 3.895 20 0 EHADRM O=C([O-])c1ccc(NC(=O)COc2c(Cl)cccc2Cl)s1 ZINC000833114920 600901035 /nfs/dbraw/zinc/90/10/35/600901035.db2.gz XJWXMCRWIUELIE-UHFFFAOYSA-N -1 0 346.191 3.771 20 0 EHADRM O=C([O-])c1ccc(NC(=O)CCSc2ccccc2F)s1 ZINC000035425484 600903561 /nfs/dbraw/zinc/90/35/61/600903561.db2.gz MFDBNSXXBPXNEW-UHFFFAOYSA-N -1 0 325.386 3.706 20 0 EHADRM CN(C(=O)c1cccc(C(=O)[O-])n1)c1ccc(-c2ccccc2)cc1 ZINC000830533793 600904376 /nfs/dbraw/zinc/90/43/76/600904376.db2.gz VDDHTUOMGBIUJM-UHFFFAOYSA-N -1 0 332.359 3.723 20 0 EHADRM Cc1ccc(C[C@@H]2CCCN(C(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)C2)cc1 ZINC000516885842 600916790 /nfs/dbraw/zinc/91/67/90/600916790.db2.gz MEVMOQUPESZVQK-OTWHNJEPSA-N -1 0 343.467 3.667 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CC3(CCCC3)c3c2cccc3F)C1 ZINC000498624582 600919065 /nfs/dbraw/zinc/91/90/65/600919065.db2.gz AGBGZZPTDLQMTM-UONOGXRCSA-N -1 0 345.414 3.875 20 0 EHADRM CC(C)C[C@@H](CNC(=O)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000325376030 600919182 /nfs/dbraw/zinc/91/91/82/600919182.db2.gz IKMOCPPIMLYMFL-SFHVURJKSA-N -1 0 325.408 3.830 20 0 EHADRM Cc1cc(NC(=O)c2ccc(C(=O)[O-])s2)c2cccnc2c1C ZINC000832896449 600921378 /nfs/dbraw/zinc/92/13/78/600921378.db2.gz WSAKYLJMMALYCH-UHFFFAOYSA-N -1 0 326.377 3.864 20 0 EHADRM CCC(CC)(NC(=O)CCCCc1nc2ccccc2s1)C(=O)[O-] ZINC000342571440 600921792 /nfs/dbraw/zinc/92/17/92/600921792.db2.gz QXXJBEYUKNERGP-UHFFFAOYSA-N -1 0 348.468 3.769 20 0 EHADRM CC(C)C[C@H](CNC(=O)c1sccc1-c1ccccc1)C(=O)[O-] ZINC000261818095 600921981 /nfs/dbraw/zinc/92/19/81/600921981.db2.gz WKLTXKROERBVIX-CQSZACIVSA-N -1 0 331.437 3.892 20 0 EHADRM CCC(CC)(NC(=O)CCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000094239811 600923020 /nfs/dbraw/zinc/92/30/20/600923020.db2.gz DFLPEURDGQKIJD-UHFFFAOYSA-N -1 0 332.227 3.686 20 0 EHADRM CCC(CC)(NC(=O)c1cc(C2CC2)nc2ccc(F)cc21)C(=O)[O-] ZINC000342555553 600923734 /nfs/dbraw/zinc/92/37/34/600923734.db2.gz BIOOFUCMHJWFBT-UHFFFAOYSA-N -1 0 344.386 3.625 20 0 EHADRM Cc1c(Br)cccc1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000180111110 600923862 /nfs/dbraw/zinc/92/38/62/600923862.db2.gz ZHVCVNCYIYLKPF-GHMZBOCLSA-N -1 0 340.217 3.587 20 0 EHADRM Cc1ccc(SCCC(=O)NC[C@H](CC(C)C)C(=O)[O-])cc1C ZINC000321530608 600925293 /nfs/dbraw/zinc/92/52/93/600925293.db2.gz MTBHTXUJUUBESE-HNNXBMFYSA-N -1 0 337.485 3.649 20 0 EHADRM CC(C)C[C@H](CNC(=O)CCc1ccc(-c2ccccc2)o1)C(=O)[O-] ZINC000486280260 600925302 /nfs/dbraw/zinc/92/53/02/600925302.db2.gz DMPNZJXFSMZIRK-MRXNPFEDSA-N -1 0 343.423 3.742 20 0 EHADRM CCC(CC)(NC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000342545003 600926413 /nfs/dbraw/zinc/92/64/13/600926413.db2.gz KUHHTYRIVFKJIO-QWRGUYRKSA-N -1 0 344.238 3.857 20 0 EHADRM CC(C)(CNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccccc1Cl ZINC000179998732 600926838 /nfs/dbraw/zinc/92/68/38/600926838.db2.gz XEFOMVYEXLDVCH-CHWSQXEVSA-N -1 0 337.847 3.625 20 0 EHADRM CCCc1c(C(=O)Nc2cc(CC(C)(C)C)[nH]n2)[nH]c(C)c1C(=O)[O-] ZINC000737042469 600930276 /nfs/dbraw/zinc/93/02/76/600930276.db2.gz DHMXBURRHDETNF-UHFFFAOYSA-N -1 0 346.431 3.538 20 0 EHADRM CCn1c(C)cc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1C ZINC000262244583 600932783 /nfs/dbraw/zinc/93/27/83/600932783.db2.gz XBQOWONTRBASMG-UHFFFAOYSA-N -1 0 328.412 3.739 20 0 EHADRM Cc1cccc([C@@H]2CCCCN2C(=O)CCSCC(=O)[O-])c1C ZINC000832964780 600933443 /nfs/dbraw/zinc/93/34/43/600933443.db2.gz BJBIWAGZMBYNQJ-INIZCTEOSA-N -1 0 335.469 3.565 20 0 EHADRM O=C([O-])c1ccc2ccccc2c1OC(=O)Cc1cc(F)ccc1F ZINC000833117066 600939523 /nfs/dbraw/zinc/93/95/23/600939523.db2.gz MDILFPHRHBOVGJ-UHFFFAOYSA-N -1 0 342.297 3.964 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1OC(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000833299909 600940695 /nfs/dbraw/zinc/94/06/95/600940695.db2.gz XGJHWPJVBGFWOA-HNAYVOBHSA-N -1 0 342.778 3.848 20 0 EHADRM Cc1c(C(=O)[O-])c2cc(OC(=O)/C=C\C3CC3)ccc2n1C1CC1 ZINC000832851358 600941104 /nfs/dbraw/zinc/94/11/04/600941104.db2.gz MCUKOFIYCFQVIX-WTKPLQERSA-N -1 0 325.364 3.854 20 0 EHADRM COC(=O)c1cc(NC(=O)CCCC2CCCCC2)ccc1C(=O)[O-] ZINC000831264539 600943584 /nfs/dbraw/zinc/94/35/84/600943584.db2.gz GVILXCZCFWSHOE-UHFFFAOYSA-N -1 0 347.411 3.861 20 0 EHADRM CCN(C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)C12CC3CC(CC(C3)C1)C2 ZINC000829591681 600944983 /nfs/dbraw/zinc/94/49/83/600944983.db2.gz WLBKSMCKJHCJNR-NNKBYLESSA-N -1 0 333.472 3.695 20 0 EHADRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)c1cccc(F)c1Cl ZINC000825942243 600945926 /nfs/dbraw/zinc/94/59/26/600945926.db2.gz NTKCOMYNHXCRGF-UHFFFAOYSA-N -1 0 336.702 3.599 20 0 EHADRM CC(C)C[C@@H](OC(=O)[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000826812592 600954139 /nfs/dbraw/zinc/95/41/39/600954139.db2.gz KOOAZPPZKJPGCZ-GXFFZTMASA-N -1 0 332.318 3.851 20 0 EHADRM CC(C)C[C@@H](OC(=O)c1cccc(Oc2nccs2)c1)C(=O)[O-] ZINC000826820689 600956988 /nfs/dbraw/zinc/95/69/88/600956988.db2.gz SORNUDPJCSCXOH-CYBMUJFWSA-N -1 0 335.381 3.592 20 0 EHADRM O=C([O-])C[C@H]1CN(Cc2ccccc2OC(F)F)c2ccccc21 ZINC000325447051 600958635 /nfs/dbraw/zinc/95/86/35/600958635.db2.gz OSKOMKQJNWBHMR-ZDUSSCGKSA-N -1 0 333.334 3.867 20 0 EHADRM COc1ccc(OCCCN2C[C@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000738048964 600961970 /nfs/dbraw/zinc/96/19/70/600961970.db2.gz LIZKLZAFQGHGLN-HNNXBMFYSA-N -1 0 341.407 3.543 20 0 EHADRM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000262112808 600967739 /nfs/dbraw/zinc/96/77/39/600967739.db2.gz IBHPVDYUOFKORN-FFSVYQOJSA-N -1 0 337.391 3.836 20 0 EHADRM C[C@@H](CCc1ccccc1F)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000766844494 600968351 /nfs/dbraw/zinc/96/83/51/600968351.db2.gz VJSZHHJZOKTEFG-ZDUSSCGKSA-N -1 0 341.382 3.682 20 0 EHADRM C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-])C(F)(F)F ZINC000826011643 600970214 /nfs/dbraw/zinc/97/02/14/600970214.db2.gz BNROAWSZQFYHAM-RXMQYKEDSA-N -1 0 329.196 3.541 20 0 EHADRM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1sccc1C(=O)[O-] ZINC000829009735 600971608 /nfs/dbraw/zinc/97/16/08/600971608.db2.gz NLAPEELUKMUTFS-WZRBSPASSA-N -1 0 325.430 3.759 20 0 EHADRM O=C([O-])c1c(F)cccc1NC(=O)[C@H]1SCCc2sccc21 ZINC000833294260 600972733 /nfs/dbraw/zinc/97/27/33/600972733.db2.gz PEFGRFAKCXTHBB-ZDUSSCGKSA-N -1 0 337.397 3.555 20 0 EHADRM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000832931280 600973889 /nfs/dbraw/zinc/97/38/89/600973889.db2.gz VQWBATGVINQOIQ-RDGPPVDQSA-N -1 0 343.467 3.981 20 0 EHADRM Cc1cc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c2cccnc2c1C ZINC000832892658 600976448 /nfs/dbraw/zinc/97/64/48/600976448.db2.gz DYYGTIGTELJMPU-ZIAGYGMSSA-N -1 0 326.396 3.681 20 0 EHADRM CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000826687609 600976571 /nfs/dbraw/zinc/97/65/71/600976571.db2.gz LLRCPEHNZPHHJS-BQFCYCMXSA-N -1 0 349.446 3.742 20 0 EHADRM Cn1ccnc1SCc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000739048686 600983445 /nfs/dbraw/zinc/98/34/45/600983445.db2.gz NHYZNVJUYXRBQE-UHFFFAOYSA-N -1 0 331.422 3.534 20 0 EHADRM CN(Cc1nc2ccccc2s1)[C@H](C(=O)[O-])c1ccccc1F ZINC000830879251 600983908 /nfs/dbraw/zinc/98/39/08/600983908.db2.gz AJNQWUVYZSIBAS-INIZCTEOSA-N -1 0 330.384 3.693 20 0 EHADRM CC(C)C[C@@H](CNC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000094702896 600994017 /nfs/dbraw/zinc/99/40/17/600994017.db2.gz IUIPMJFCXNGVAA-VIFPVBQESA-N -1 0 333.215 3.862 20 0 EHADRM CN(C)c1ccc(NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC000327179849 600994489 /nfs/dbraw/zinc/99/44/89/600994489.db2.gz VKJJMWHJLIWVOL-UHFFFAOYSA-N -1 0 341.411 3.759 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Nc1ccccc1F)c1cccc(Cl)c1 ZINC000833199034 600995096 /nfs/dbraw/zinc/99/50/96/600995096.db2.gz NSPLHVGBIPHPQQ-AWEZNQCLSA-N -1 0 336.750 3.817 20 0 EHADRM CC[C@@H]1CN(C(=O)NCCCCCC(=O)[O-])CC[C@@H]1c1ccccc1 ZINC000414632081 600996309 /nfs/dbraw/zinc/99/63/09/600996309.db2.gz XGZYSODMFUJXOT-AEFFLSMTSA-N -1 0 346.471 3.857 20 0 EHADRM C[C@@H](C(=O)Nc1ncc(C(=O)[O-])s1)c1ccccc1C(F)(F)F ZINC000736220148 600997526 /nfs/dbraw/zinc/99/75/26/600997526.db2.gz XXVXQZYFBCLYND-SSDOTTSWSA-N -1 0 344.314 3.602 20 0 EHADRM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1cccs1)c1cccc(Cl)c1 ZINC000678976877 600999572 /nfs/dbraw/zinc/99/95/72/600999572.db2.gz JUWDAVQWRQOMKR-ZWNOBZJWSA-N -1 0 337.828 3.837 20 0 EHADRM C[C@H](C(=O)NCCc1ccc(C(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000540675064 600999616 /nfs/dbraw/zinc/99/96/16/600999616.db2.gz ZQJARGLWZISJCS-LBPRGKRZSA-N -1 0 331.799 3.501 20 0 EHADRM CC(C)C[C@H](CNC(=O)Nc1cc(Cl)cc2cccnc21)C(=O)[O-] ZINC000826775291 601002766 /nfs/dbraw/zinc/00/27/66/601002766.db2.gz XAPXEJMOERPWEV-GFCCVEGCSA-N -1 0 349.818 3.757 20 0 EHADRM CCCc1ccccc1NC(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000324751835 601002825 /nfs/dbraw/zinc/00/28/25/601002825.db2.gz SXAFPRXWSJOFKE-MRXNPFEDSA-N -1 0 326.396 3.629 20 0 EHADRM C[C@@H](C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21)c1cccc(Cl)c1 ZINC000439716237 601011328 /nfs/dbraw/zinc/01/13/28/601011328.db2.gz HGWVZGOHWNHHKT-IAQYHMDHSA-N -1 0 329.783 3.659 20 0 EHADRM CC(C)[C@@H]1CN(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CCS1 ZINC000826741374 601013259 /nfs/dbraw/zinc/01/32/59/601013259.db2.gz CRNDGMMBENTIBX-ZDUSSCGKSA-N -1 0 342.848 3.644 20 0 EHADRM C[C@@H]1Cc2ccccc2CN1C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000828516095 601013976 /nfs/dbraw/zinc/01/39/76/601013976.db2.gz IOJJWWIVKWTCLI-SNVBAGLBSA-N -1 0 346.333 3.642 20 0 EHADRM C[C@@H]1CN([C@@H](C(=O)[O-])c2ccccc2F)C[C@H](c2ccc(F)cc2)O1 ZINC000568642083 601017113 /nfs/dbraw/zinc/01/71/13/601017113.db2.gz XEWQPNXNABPUGK-NXOUGTEYSA-N -1 0 347.361 3.553 20 0 EHADRM CCC[C@]1(C)CCCN(C(=O)Nc2cccc(OCC(=O)[O-])c2)C1 ZINC000829237838 601017785 /nfs/dbraw/zinc/01/77/85/601017785.db2.gz GTBJDSDCDMOXDD-GOSISDBHSA-N -1 0 334.416 3.584 20 0 EHADRM CCC(CC)(CNC(=O)Nc1cccc(NC(=O)[O-])c1)SC ZINC000828815087 601021914 /nfs/dbraw/zinc/02/19/14/601021914.db2.gz HLFZBXNCBMYTGQ-UHFFFAOYSA-N -1 0 325.434 3.820 20 0 EHADRM Cc1csc([C@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)C2CC2)n1 ZINC000832988553 601026846 /nfs/dbraw/zinc/02/68/46/601026846.db2.gz APHYIOBBETYFET-CYBMUJFWSA-N -1 0 349.387 3.562 20 0 EHADRM C[C@H](Sc1ccccc1C(=O)N1CCC[C@@H]2CCC[C@@H]21)C(=O)[O-] ZINC000736711568 601031794 /nfs/dbraw/zinc/03/17/94/601031794.db2.gz COSIEHNEGGDNPJ-YDHLFZDLSA-N -1 0 333.453 3.657 20 0 EHADRM O=C([O-])c1cnc(N(C(=O)CC/C=C\c2ccccc2)C2CC2)s1 ZINC000740255526 601036304 /nfs/dbraw/zinc/03/63/04/601036304.db2.gz YWCXYRHIZVNSHA-YWEYNIOJSA-N -1 0 342.420 3.830 20 0 EHADRM CCN(c1ccccc1C(=O)[O-])S(=O)(=O)/C=C/c1ccc(C)cc1 ZINC000737109359 601048607 /nfs/dbraw/zinc/04/86/07/601048607.db2.gz YINVOIJCZWYCGO-OUKQBFOZSA-N -1 0 345.420 3.520 20 0 EHADRM CCC[C@@]1(C)CCCN(C(=O)Nc2ccc(CNC(=O)[O-])cc2)C1 ZINC000829238258 601053056 /nfs/dbraw/zinc/05/30/56/601053056.db2.gz PEJNIGAAFASTOB-SFHVURJKSA-N -1 0 333.432 3.888 20 0 EHADRM CC(C)[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CCS1 ZINC000826742216 601054178 /nfs/dbraw/zinc/05/41/78/601054178.db2.gz WVZXDIPJCOZRGK-CYBMUJFWSA-N -1 0 342.848 3.644 20 0 EHADRM Cc1ccc(OCCCC(=O)Nc2ccc(CC(=O)[O-])cc2)cc1C ZINC000262337214 601056062 /nfs/dbraw/zinc/05/60/62/601056062.db2.gz ZNKJOVMJMCXRSF-UHFFFAOYSA-N -1 0 341.407 3.728 20 0 EHADRM C[C@@H](CCOc1ccccc1)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000827417275 601060084 /nfs/dbraw/zinc/06/00/84/601060084.db2.gz AWDGFIBXJDCGMV-ZDUSSCGKSA-N -1 0 328.368 3.820 20 0 EHADRM Cc1[nH]c(C(=O)N[C@H](CC2CC2)c2ccccc2)c(C)c1C(=O)[O-] ZINC000738157291 601067216 /nfs/dbraw/zinc/06/72/16/601067216.db2.gz XERFZRUNTZSJCH-OAHLLOKOSA-N -1 0 326.396 3.601 20 0 EHADRM CCC[C@H](CC1CCCC1)C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000486267994 601068135 /nfs/dbraw/zinc/06/81/35/601068135.db2.gz GZPBJTYRBYYTKJ-MSOLQXFVSA-N -1 0 331.456 3.968 20 0 EHADRM C/C(=C/C(=O)NC[C@H](C(=O)[O-])c1ccccc1)c1ccccc1Cl ZINC000736119649 601073521 /nfs/dbraw/zinc/07/35/21/601073521.db2.gz BATOZSKHLDMVMA-KVNDZABWSA-N -1 0 343.810 3.728 20 0 EHADRM CCCCN(C)C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000829380794 601075877 /nfs/dbraw/zinc/07/58/77/601075877.db2.gz DQGGUSLPLITIBU-UHFFFAOYSA-N -1 0 347.184 3.550 20 0 EHADRM Cc1ccc(CCC(=O)NC[C@H](C(=O)[O-])c2ccccc2)cc1Cl ZINC000324851213 601076163 /nfs/dbraw/zinc/07/61/63/601076163.db2.gz FBXLFLAPKYXMSI-INIZCTEOSA-N -1 0 345.826 3.566 20 0 EHADRM CC(C)Sc1ccc(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000262225068 601081464 /nfs/dbraw/zinc/08/14/64/601081464.db2.gz ULWSFNSYXHEMDX-KRWDZBQOSA-N -1 0 343.448 3.785 20 0 EHADRM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)c1ccc(C(=O)[O-])cn1 ZINC000649454047 601087108 /nfs/dbraw/zinc/08/71/08/601087108.db2.gz LXGADIYPPCVVPD-KRWDZBQOSA-N -1 0 340.423 3.572 20 0 EHADRM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1ccc2cc[nH]c2c1 ZINC000833178086 601088774 /nfs/dbraw/zinc/08/87/74/601088774.db2.gz DZZHVZHMFXVCHB-AEFFLSMTSA-N -1 0 340.423 3.664 20 0 EHADRM Cc1ccc(CNC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1F ZINC000832933884 601090822 /nfs/dbraw/zinc/09/08/22/601090822.db2.gz KDTCBBGWWDOPCX-UHFFFAOYSA-N -1 0 344.386 3.818 20 0 EHADRM C[C@H]1C[C@H](NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C[C@@H](C)C1 ZINC000391755395 601091288 /nfs/dbraw/zinc/09/12/88/601091288.db2.gz BRXCEKFBKOHKLG-VIKVFOODSA-N -1 0 332.444 3.995 20 0 EHADRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)c1ccccc1Cl ZINC000833178352 601091556 /nfs/dbraw/zinc/09/15/56/601091556.db2.gz GVCFJJQXLODRGA-XJKSGUPXSA-N -1 0 335.831 3.836 20 0 EHADRM CC(C)C1CCN(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CC1 ZINC000392381507 601096696 /nfs/dbraw/zinc/09/66/96/601096696.db2.gz SPSQXRWVLJGKFU-UHFFFAOYSA-N -1 0 332.444 3.949 20 0 EHADRM Cc1[nH]c(C(=O)N2CC[C@H](C)[C@H]2c2cccc(F)c2)c(C)c1C(=O)[O-] ZINC000832843211 601108242 /nfs/dbraw/zinc/10/82/42/601108242.db2.gz KGGFKJCFCUXYJZ-BTDLBPIBSA-N -1 0 344.386 3.692 20 0 EHADRM CC(C)CCc1nc(COC(=O)c2cccc(C(=O)[O-])c2)cs1 ZINC000826861147 601110427 /nfs/dbraw/zinc/11/04/27/601110427.db2.gz PECDHFGPVBTZHQ-UHFFFAOYSA-N -1 0 333.409 3.787 20 0 EHADRM CC[C@@H](CC(=O)N(CC)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC000736892231 601125089 /nfs/dbraw/zinc/12/50/89/601125089.db2.gz LHTXYKIPCJPQPS-LBPRGKRZSA-N -1 0 332.425 3.778 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccccc2N2CCCCC2)C1 ZINC000392151548 601125604 /nfs/dbraw/zinc/12/56/04/601125604.db2.gz LIDSBDREXFLFSY-LSDHHAIUSA-N -1 0 330.428 3.506 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1 ZINC000739573952 601126099 /nfs/dbraw/zinc/12/60/99/601126099.db2.gz QOLKAUJCNPSYAI-OLZOCXBDSA-N -1 0 345.395 3.558 20 0 EHADRM CC1(C)CCC[C@@H]1NC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000828060611 601128813 /nfs/dbraw/zinc/12/88/13/601128813.db2.gz XSPCPBSPWOGNPD-AWEZNQCLSA-N -1 0 336.457 3.705 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C(C)(C)C1 ZINC000828370393 601132935 /nfs/dbraw/zinc/13/29/35/601132935.db2.gz QFRJLPIZBNVIIH-VIFPVBQESA-N -1 0 342.342 3.639 20 0 EHADRM CC1(C)CCC[C@@H]1N(Cc1ccccc1)C(=O)NCCCC(=O)[O-] ZINC000414621428 601138659 /nfs/dbraw/zinc/13/86/59/601138659.db2.gz FLMRPSFTABLFBN-INIZCTEOSA-N -1 0 332.444 3.642 20 0 EHADRM O=C([O-])c1cccc(C(=O)Oc2ccc(-c3cscn3)cc2)c1 ZINC000833328842 601143939 /nfs/dbraw/zinc/14/39/39/601143939.db2.gz UOUUHNACLLOLNS-UHFFFAOYSA-N -1 0 325.345 3.728 20 0 EHADRM Cc1csc([C@H](NC(=O)Nc2ccc(C)c(C(=O)[O-])c2)C2CC2)n1 ZINC000832988893 601144677 /nfs/dbraw/zinc/14/46/77/601144677.db2.gz MYDSEVDQBNKCEO-CQSZACIVSA-N -1 0 345.424 3.731 20 0 EHADRM C[C@H](CC(=O)N(CC(=O)[O-])c1cccc(F)c1)c1cccc(F)c1 ZINC000827218292 601147179 /nfs/dbraw/zinc/14/71/79/601147179.db2.gz OSYUOYCHGKHXBN-GFCCVEGCSA-N -1 0 333.334 3.576 20 0 EHADRM CC[C@H](CNC(=O)c1cccc(NC(=O)[O-])c1)Oc1ccccc1F ZINC000828884279 601148283 /nfs/dbraw/zinc/14/82/83/601148283.db2.gz SNVFFDDJZVYQPA-CQSZACIVSA-N -1 0 346.358 3.503 20 0 EHADRM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1sccc1C(=O)[O-] ZINC000829015125 601151642 /nfs/dbraw/zinc/15/16/42/601151642.db2.gz YDLNITSXXVBYDL-LLVKDONJSA-N -1 0 339.800 3.896 20 0 EHADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CCCc3c(Cl)ccc(F)c32)C1 ZINC000833183974 601155542 /nfs/dbraw/zinc/15/55/42/601155542.db2.gz BSPHUCNQIBPZGP-MNOVXSKESA-N -1 0 339.794 3.649 20 0 EHADRM Cc1nc(C(C)C)sc1C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000531999897 601172185 /nfs/dbraw/zinc/17/21/85/601172185.db2.gz DAXKBIQPRVTHDE-BXUZGUMPSA-N -1 0 346.452 3.767 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Oc2ccc(-c3cscn3)cc2)C1 ZINC000833187907 601173707 /nfs/dbraw/zinc/17/37/07/601173707.db2.gz SJQYFOMGYBKGHX-OLZOCXBDSA-N -1 0 331.393 3.607 20 0 EHADRM C[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccc1F)[C@H](C)c1ccccc1 ZINC000827665469 601176414 /nfs/dbraw/zinc/17/64/14/601176414.db2.gz RXTFDZACDYJSLT-NWDGAFQWSA-N -1 0 330.359 3.838 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)OCc2ccc(OC(F)(F)F)cc2)C1 ZINC000833185042 601179936 /nfs/dbraw/zinc/17/99/36/601179936.db2.gz BDLRFEIZKCCEPE-NEPJUHHUSA-N -1 0 346.301 3.519 20 0 EHADRM C[C@@H](CNC(=O)c1ccc(Oc2ccccc2Cl)cc1)C(=O)[O-] ZINC000827496413 601180924 /nfs/dbraw/zinc/18/09/24/601180924.db2.gz AAYKQJHQSDFMLE-NSHDSACASA-N -1 0 333.771 3.583 20 0 EHADRM O=C([O-])CC1(NC(=O)c2cc(-c3ccccc3)ns2)CCCCC1 ZINC000663124006 601184986 /nfs/dbraw/zinc/18/49/86/601184986.db2.gz UYOSRPSWWYDQHB-UHFFFAOYSA-N -1 0 344.436 3.718 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)OCc2ccccc2C(F)(F)F)C1 ZINC000833185342 601192981 /nfs/dbraw/zinc/19/29/81/601192981.db2.gz CAPDBRVYHWEFMV-MNOVXSKESA-N -1 0 330.302 3.640 20 0 EHADRM C[C@H](C(=O)[O-])[C@H](NCc1ncc(-c2ccccc2)o1)c1ccccc1 ZINC000826053054 601204710 /nfs/dbraw/zinc/20/47/10/601204710.db2.gz ICDWWYIWHFQJKZ-LIRRHRJNSA-N -1 0 336.391 3.893 20 0 EHADRM CC(C)(NC(=O)NCCCCCCC(=O)[O-])c1ccc(F)c(F)c1 ZINC000826621427 601213230 /nfs/dbraw/zinc/21/32/30/601213230.db2.gz RAVKKQGAECDISA-UHFFFAOYSA-N -1 0 342.386 3.534 20 0 EHADRM Cc1ccc(Cl)cc1S(=O)(=O)Oc1ccccc1NC(=O)[O-] ZINC000832935942 601226804 /nfs/dbraw/zinc/22/68/04/601226804.db2.gz QTTKEZLERLJSBB-UHFFFAOYSA-N -1 0 341.772 3.506 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)OCCCc2nc3ccccc3s2)C1 ZINC000833189545 601238016 /nfs/dbraw/zinc/23/80/16/601238016.db2.gz STEUAQGZKMCXQU-OLZOCXBDSA-N -1 0 347.436 3.663 20 0 EHADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)O[C@@H](c2ccccc2)c2cccnc2)C1 ZINC000833184612 601239502 /nfs/dbraw/zinc/23/95/02/601239502.db2.gz AANZXDACJONDRL-RYRKJORJSA-N -1 0 339.391 3.605 20 0 EHADRM O=C([O-])c1cc(C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)ccn1 ZINC000237979102 601246320 /nfs/dbraw/zinc/24/63/20/601246320.db2.gz RROGWHIOAHNJLF-SFHVURJKSA-N -1 0 349.390 3.629 20 0 EHADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000826038998 601247688 /nfs/dbraw/zinc/24/76/88/601247688.db2.gz KKWXHSXQVJCYMY-IAQYHMDHSA-N -1 0 332.787 3.924 20 0 EHADRM COc1ccccc1CN(c1nc(Cl)c(C(=O)[O-])s1)C1CC1 ZINC000832614019 601250463 /nfs/dbraw/zinc/25/04/63/601250463.db2.gz VUBVAODFKRSECJ-UHFFFAOYSA-N -1 0 338.816 3.672 20 0 EHADRM Cc1cnc([C@H](Nc2nc(Cl)c(C(=O)[O-])s2)C2CC2)s1 ZINC000832985542 601252188 /nfs/dbraw/zinc/25/21/88/601252188.db2.gz HLALGJWODGCQQA-SSDOTTSWSA-N -1 0 329.834 3.823 20 0 EHADRM O=C([O-])c1cc(NCc2noc(-c3ccccc3)n2)ccc1Cl ZINC000833299598 601253182 /nfs/dbraw/zinc/25/31/82/601253182.db2.gz BUSVPSBBYPXJKS-UHFFFAOYSA-N -1 0 329.743 3.700 20 0 EHADRM CCCc1sc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1CC ZINC000325128430 601259054 /nfs/dbraw/zinc/25/90/54/601259054.db2.gz GVRMRLCELVNXPK-HNNXBMFYSA-N -1 0 345.464 3.689 20 0 EHADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2CC23CCCC3)cc1 ZINC000262237881 601269423 /nfs/dbraw/zinc/26/94/23/601269423.db2.gz XOBHTMYEURNOJL-GJZGRUSLSA-N -1 0 333.453 3.621 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)C/C=C\c1ccc(F)cc1 ZINC000833334094 601276989 /nfs/dbraw/zinc/27/69/89/601276989.db2.gz JBGZXKFWEDVCBD-RJRFIUFISA-N -1 0 339.366 3.907 20 0 EHADRM CCC(CC)[C@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1cccs1 ZINC000236702503 601279629 /nfs/dbraw/zinc/27/96/29/601279629.db2.gz AZRXSCMPWNESCZ-HNNXBMFYSA-N -1 0 332.425 3.749 20 0 EHADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C/C=C\c1cccc(F)c1 ZINC000485884964 601279881 /nfs/dbraw/zinc/27/98/81/601279881.db2.gz SEZQEMRMYMFOPU-HYXAFXHYSA-N -1 0 343.354 3.640 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000776635370 601279924 /nfs/dbraw/zinc/27/99/24/601279924.db2.gz FLAIGXZGLKTBMO-UKTHLTGXSA-N -1 0 343.354 3.640 20 0 EHADRM O=C([O-])c1cccc2c1CCCN2C(=O)C/C=C/c1cccc(F)c1 ZINC000833333791 601280226 /nfs/dbraw/zinc/28/02/26/601280226.db2.gz GWKKFPVFQBSYPI-QHHAFSJGSA-N -1 0 339.366 3.907 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)C/C=C\c1cccc(F)c1)c1ccc(F)cc1 ZINC000362428256 601280552 /nfs/dbraw/zinc/28/05/52/601280552.db2.gz OFNOMGNVXDCZQG-POKLJVKSSA-N -1 0 345.345 3.700 20 0 EHADRM O=C([O-])CCc1ccc(NC(=O)C/C=C\c2ccc(F)cc2)cc1 ZINC000532009686 601282202 /nfs/dbraw/zinc/28/22/02/601282202.db2.gz GZVPSLYUNFEMTL-UPHRSURJSA-N -1 0 327.355 3.885 20 0 EHADRM O=C([O-])CC[C@@H](NC(=O)C/C=C\c1ccc(F)cc1)c1ccccc1 ZINC000255867645 601283162 /nfs/dbraw/zinc/28/31/62/601283162.db2.gz JIKUXIIVDFENIP-PYTPGESOSA-N -1 0 341.382 3.951 20 0 EHADRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)c1cccc2[nH]ccc21 ZINC000833178706 601292193 /nfs/dbraw/zinc/29/21/93/601292193.db2.gz IIKJDSBNSMBNQV-KSSFIOAISA-N -1 0 340.423 3.664 20 0 EHADRM CCc1sc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1C ZINC000237104221 601296125 /nfs/dbraw/zinc/29/61/25/601296125.db2.gz IDTNAZIGMFJOKS-WBMJQRKESA-N -1 0 331.437 3.811 20 0 EHADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC000237527173 601298896 /nfs/dbraw/zinc/29/88/96/601298896.db2.gz UUHWTLFBOLAODN-ZUZCIYMTSA-N -1 0 335.762 3.671 20 0 EHADRM Cc1sc(NC(=O)CNc2ccc(C)c(C(=O)[O-])c2)c(C)c1C ZINC000832951888 601301998 /nfs/dbraw/zinc/30/19/98/601301998.db2.gz NYDOZARDTYNFLO-UHFFFAOYSA-N -1 0 332.425 3.731 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)/C=C/c1cnc(C(C)(C)C)s1 ZINC000776680560 601306687 /nfs/dbraw/zinc/30/66/87/601306687.db2.gz TWYXKTKMLMMPFC-CMDGGOBGSA-N -1 0 338.473 3.604 20 0 EHADRM Cc1ccc(C)c(NC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000832926067 601308918 /nfs/dbraw/zinc/30/89/18/601308918.db2.gz DRGMUVSLXZAZNL-MRXNPFEDSA-N -1 0 330.359 3.780 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000345988955 601309573 /nfs/dbraw/zinc/30/95/73/601309573.db2.gz ILLFVBFLCKPKPG-UHFFFAOYSA-N -1 0 336.819 3.514 20 0 EHADRM CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000829014093 601318038 /nfs/dbraw/zinc/31/80/38/601318038.db2.gz BIVPMKUWZFIXHI-MRXNPFEDSA-N -1 0 344.411 3.643 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=S)NCCCC(=O)[O-] ZINC000827935652 601339588 /nfs/dbraw/zinc/33/95/88/601339588.db2.gz UNMVSQHDEUJJES-NEPJUHHUSA-N -1 0 342.892 3.503 20 0 EHADRM CC(C)CCSCc1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC000826860933 601366962 /nfs/dbraw/zinc/36/69/62/601366962.db2.gz KCDRBKIWMXQDNG-UHFFFAOYSA-N -1 0 336.413 3.626 20 0 EHADRM O=C([O-])c1cccc(OCc2noc(-c3ccc(Cl)cc3F)n2)c1 ZINC000833332567 601367320 /nfs/dbraw/zinc/36/73/20/601367320.db2.gz NSRFIWRPHVPZJJ-UHFFFAOYSA-N -1 0 348.717 3.806 20 0 EHADRM O=C([O-])Nc1ccccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000833287423 601369295 /nfs/dbraw/zinc/36/92/95/601369295.db2.gz HIZGFLFVXXOLHR-UHFFFAOYSA-N -1 0 338.722 3.587 20 0 EHADRM CN(C(=O)c1ccc(C(=O)[O-])cn1)C1c2ccccc2-c2ccccc21 ZINC000191619684 601374208 /nfs/dbraw/zinc/37/42/08/601374208.db2.gz ASQUNINEIRCETO-UHFFFAOYSA-N -1 0 344.370 3.622 20 0 EHADRM CCC(CC)(CC(=O)[O-])NC(=S)Nc1ccc(OC)c(Cl)c1 ZINC000828796506 601378224 /nfs/dbraw/zinc/37/82/24/601378224.db2.gz JHURUGGOYGUGAK-UHFFFAOYSA-N -1 0 344.864 3.669 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1ccc(C(=O)NC(C)(C)C)cc1 ZINC000830379523 601390314 /nfs/dbraw/zinc/39/03/14/601390314.db2.gz ZHDHLYDGEDWPFB-UHFFFAOYSA-N -1 0 344.411 3.681 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1cc(Cl)ccc1NC(C)=O ZINC000830378876 601390945 /nfs/dbraw/zinc/39/09/45/601390945.db2.gz ABVDFBSLGLMXCN-UHFFFAOYSA-N -1 0 336.775 3.764 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CN[C@@H](c1nccs1)c1ccccc1 ZINC000830375726 601390966 /nfs/dbraw/zinc/39/09/66/601390966.db2.gz RYDFFSUYZZETHX-MRXNPFEDSA-N -1 0 342.420 3.876 20 0 EHADRM O=C([O-])Nc1cccc(N[C@H]2CCN(c3cccc(Cl)c3)C2=O)c1 ZINC000833290388 601392058 /nfs/dbraw/zinc/39/20/58/601392058.db2.gz UBMOFSAGERDYJK-HNNXBMFYSA-N -1 0 345.786 3.647 20 0 EHADRM O=C([O-])Nc1ccc(N[C@H]2CCN(c3cccc(Cl)c3)C2=O)cc1 ZINC000833290786 601392101 /nfs/dbraw/zinc/39/21/01/601392101.db2.gz VKAVULRVRRQXFT-HNNXBMFYSA-N -1 0 345.786 3.647 20 0 EHADRM C[C@@H](C(=O)NC1(C(=O)[O-])CCCCCC1)c1ccc(Cl)s1 ZINC000191243228 601392545 /nfs/dbraw/zinc/39/25/45/601392545.db2.gz IWRIRALEFNLEGP-SNVBAGLBSA-N -1 0 329.849 3.799 20 0 EHADRM COc1ccc([C@H](C)CC(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000237237208 601392657 /nfs/dbraw/zinc/39/26/57/601392657.db2.gz VLHIAZVXPTUNFP-DOMZBBRYSA-N -1 0 347.436 3.583 20 0 EHADRM C[C@H](CC(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-])c1ccccc1F ZINC000262537776 601394557 /nfs/dbraw/zinc/39/45/57/601394557.db2.gz QPJZCABKRFBCFZ-TYILLQQXSA-N -1 0 343.398 3.898 20 0 EHADRM C/C(=C/C(=O)Nc1ccc(OCC(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000825725079 601394846 /nfs/dbraw/zinc/39/48/46/601394846.db2.gz ZXMFGWNSIRJHNJ-XFXZXTDPSA-N -1 0 345.782 3.845 20 0 EHADRM COc1ccc([C@H](C)CC(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1 ZINC000832221325 601406878 /nfs/dbraw/zinc/40/68/78/601406878.db2.gz ZMRIMRKVRDQBOS-CYBMUJFWSA-N -1 0 342.395 3.595 20 0 EHADRM O=C([O-])C[C@H](NC(=O)Nc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000833264884 601408775 /nfs/dbraw/zinc/40/87/75/601408775.db2.gz KCWZMAPYEKFBMI-AWEZNQCLSA-N -1 0 336.750 3.817 20 0 EHADRM COc1ccc(-c2ccc(C(=O)OC/C=C(\C)C(=O)[O-])c(F)c2)cc1 ZINC000832115953 601425303 /nfs/dbraw/zinc/42/53/03/601425303.db2.gz FLWRWQTXHJSMCF-FMIVXFBMSA-N -1 0 344.338 3.689 20 0 EHADRM CC[C@H](CNC(=O)c1cccc(NC(=O)[O-])c1)Oc1cccc(C)c1 ZINC000828883580 601427455 /nfs/dbraw/zinc/42/74/55/601427455.db2.gz HSYIGIBPPQAMQB-MRXNPFEDSA-N -1 0 342.395 3.672 20 0 EHADRM O=C([O-])CC1(NC(=O)c2sc3cc(F)ccc3c2Cl)CCC1 ZINC000316499292 601431353 /nfs/dbraw/zinc/43/13/53/601431353.db2.gz VJOFDRPJEPXFRG-UHFFFAOYSA-N -1 0 341.791 3.821 20 0 EHADRM C[C@H](NC(=O)CNc1ccccc1C(=O)[O-])c1ccc2ccccc2c1 ZINC000827638010 601440360 /nfs/dbraw/zinc/44/03/60/601440360.db2.gz ZOOFWYINBWLILR-AWEZNQCLSA-N -1 0 348.402 3.827 20 0 EHADRM CCc1oc(C(=O)[O-])cc1COC(=O)c1cnc(-c2ccco2)s1 ZINC000830394878 601465376 /nfs/dbraw/zinc/46/53/76/601465376.db2.gz ORPIUFDZKKZWAJ-UHFFFAOYSA-N -1 0 347.348 3.614 20 0 EHADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000237131149 601469424 /nfs/dbraw/zinc/46/94/24/601469424.db2.gz REKTVSVOEDELLJ-QGZVFWFLSA-N -1 0 335.787 3.973 20 0 EHADRM O=C([O-])[C@@H](OC(=O)C/C=C/c1ccc(F)cc1)c1ccccc1F ZINC000833096038 601470850 /nfs/dbraw/zinc/47/08/50/601470850.db2.gz GJZNEDOMXRWNQQ-IDOMTICXSA-N -1 0 332.302 3.737 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000315158687 601484420 /nfs/dbraw/zinc/48/44/20/601484420.db2.gz FPAXBBPPJKUTQE-UHFFFAOYSA-N -1 0 328.771 3.588 20 0 EHADRM COc1cccc([C@H](C)CC(=O)OCc2cc(C(=O)[O-])oc2C)c1 ZINC000832528747 601484983 /nfs/dbraw/zinc/48/49/83/601484983.db2.gz PSFVQKQCERMZKS-LLVKDONJSA-N -1 0 332.352 3.532 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC000656602614 601486326 /nfs/dbraw/zinc/48/63/26/601486326.db2.gz SWKMKOLAXUIRMQ-CYBMUJFWSA-N -1 0 334.416 3.503 20 0 EHADRM C[C@@H]1CC/C(=C\C(=O)NCc2c3ccccc3sc2C(=O)[O-])C1 ZINC000828201496 601501024 /nfs/dbraw/zinc/50/10/24/601501024.db2.gz SQDQVIGGRVUYJO-LWMMSDEHSA-N -1 0 329.421 3.962 20 0 EHADRM Cc1cc(C(=O)N(C)C2CCCCCC2)cc(C)c1OCC(=O)[O-] ZINC000237059296 601529151 /nfs/dbraw/zinc/52/91/51/601529151.db2.gz FCPJYWNZCSWVJO-UHFFFAOYSA-N -1 0 333.428 3.562 20 0 EHADRM CCN(CCC(=O)[O-])C(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12 ZINC000190699730 601534868 /nfs/dbraw/zinc/53/48/68/601534868.db2.gz BZENGXUHFZMXOQ-UHFFFAOYSA-N -1 0 340.423 3.666 20 0 EHADRM O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1Cc1cnc(Cl)s1 ZINC000833179370 601540626 /nfs/dbraw/zinc/54/06/26/601540626.db2.gz NFEYTYIMOFNCQX-WCQYABFASA-N -1 0 328.865 3.652 20 0 EHADRM CN(CCCC(=O)N1CCCCC[C@H]1/C=C/c1ccccc1)C(=O)[O-] ZINC000830759303 601544771 /nfs/dbraw/zinc/54/47/71/601544771.db2.gz PSMLUHXSULLZAI-JKGDOXCYSA-N -1 0 344.455 3.861 20 0 EHADRM CCn1c2ccccc2nc1[C@H]1CCCN1Cc1cc(C(=O)[O-])co1 ZINC000576881243 601568003 /nfs/dbraw/zinc/56/80/03/601568003.db2.gz KGAKSIQHSRVBSY-QGZVFWFLSA-N -1 0 339.395 3.685 20 0 EHADRM Cc1ccc(CCC(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000538467280 601583412 /nfs/dbraw/zinc/58/34/12/601583412.db2.gz CESACQWSMZJOHD-QGZVFWFLSA-N -1 0 331.799 3.523 20 0 EHADRM Cc1nc(Cl)sc1C(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000833000890 601592070 /nfs/dbraw/zinc/59/20/70/601592070.db2.gz QPNQZDOPDWCLJV-UHFFFAOYSA-N -1 0 342.829 3.606 20 0 EHADRM O=C([O-])[C@H](NC(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1)C1CC1 ZINC000767044927 601595527 /nfs/dbraw/zinc/59/55/27/601595527.db2.gz JBOFICGQPURAGQ-SECOEOQKSA-N -1 0 345.395 3.547 20 0 EHADRM Cc1ccc(-c2ccc(C(=O)N[C@H](C(=O)[O-])C3CC3)c(F)c2)cc1C ZINC000347404884 601595713 /nfs/dbraw/zinc/59/57/13/601595713.db2.gz BUQSGKBLBACYHX-SFHVURJKSA-N -1 0 341.382 3.703 20 0 EHADRM O=C([O-])C1(CNC(=O)CCc2ccc(-c3ccccc3)o2)CCCC1 ZINC000676024139 601603103 /nfs/dbraw/zinc/60/31/03/601603103.db2.gz YSUZFODXGOMPGS-UHFFFAOYSA-N -1 0 341.407 3.640 20 0 EHADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Nc1ccc(Cl)cc1)c1ccccc1 ZINC000826039837 601603682 /nfs/dbraw/zinc/60/36/82/601603682.db2.gz ZVSNRLAPJPUWHP-ABAIWWIYSA-N -1 0 332.787 3.924 20 0 EHADRM O=C([O-])c1cc(NCCCOCCc2ccccc2)c(F)cc1F ZINC000833299624 601606400 /nfs/dbraw/zinc/60/64/00/601606400.db2.gz DDDXOVLXCSABBK-UHFFFAOYSA-N -1 0 335.350 3.724 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)/C=C/c1ccc2ccccc2n1 ZINC000238091064 601613609 /nfs/dbraw/zinc/61/36/09/601613609.db2.gz ICIGGRQARUKRSL-VAWYXSNFSA-N -1 0 332.359 3.514 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)Cc1ccc(Cl)cc1Cl ZINC000238078266 601614796 /nfs/dbraw/zinc/61/47/96/601614796.db2.gz CKYJTCTUOJTDIZ-UHFFFAOYSA-N -1 0 338.190 3.802 20 0 EHADRM Cc1ccc(NC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c(F)c1 ZINC000832948016 601615273 /nfs/dbraw/zinc/61/52/73/601615273.db2.gz YXBBAPMFEQXCAF-WBMJQRKESA-N -1 0 330.359 3.718 20 0 EHADRM O=C([O-])Cc1ccccc1NC(=O)c1cc(Cl)sc1Cl ZINC000224782684 601616776 /nfs/dbraw/zinc/61/67/76/601616776.db2.gz UWMYLZWQTLIKMX-UHFFFAOYSA-N -1 0 330.192 3.934 20 0 EHADRM Cc1ccc2c(CC(=O)Nc3ccccc3CC(=O)[O-])coc2c1C ZINC000237881311 601617527 /nfs/dbraw/zinc/61/75/27/601617527.db2.gz MLPFWJKNBIROQZ-UHFFFAOYSA-N -1 0 337.375 3.858 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)Nc2ccccc2CC(=O)[O-])s1 ZINC000738239020 601617630 /nfs/dbraw/zinc/61/76/30/601617630.db2.gz GJYIAONRVCLAAK-UHFFFAOYSA-N -1 0 341.335 3.537 20 0 EHADRM COc1ccc(NC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c(C)c1 ZINC000832399091 601623201 /nfs/dbraw/zinc/62/32/01/601623201.db2.gz YPAHPEZSBLJZRM-SUMWQHHRSA-N -1 0 342.395 3.587 20 0 EHADRM C[C@H](NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1F ZINC000832832417 601623225 /nfs/dbraw/zinc/62/32/25/601623225.db2.gz BAOXGWGRAUKVIO-NSHDSACASA-N -1 0 348.349 3.566 20 0 EHADRM C[C@@H](CC(=O)N1CCCC[C@@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000136514094 601626288 /nfs/dbraw/zinc/62/62/88/601626288.db2.gz DFJGBJIGXDJCJY-SMDDNHRTSA-N -1 0 343.345 3.665 20 0 EHADRM C/C(=C/C(=O)N1CCCC[C@@H]1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000136478302 601627763 /nfs/dbraw/zinc/62/77/63/601627763.db2.gz VGJMPHXJZBCQSA-RBJHHQRMSA-N -1 0 341.329 3.574 20 0 EHADRM CCOC(=O)Nc1cccc(OCc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000829865695 601628742 /nfs/dbraw/zinc/62/87/42/601628742.db2.gz HIUADRNVKXRITG-UHFFFAOYSA-N -1 0 333.315 3.671 20 0 EHADRM O=C([O-])c1cccc(C(=O)N2CCCCC[C@@H]2[C@@H]2CCCCC2=O)c1 ZINC000821547496 601630129 /nfs/dbraw/zinc/63/01/29/601630129.db2.gz WZCMRTAKVXDOOV-DLBZAZTESA-N -1 0 343.423 3.529 20 0 EHADRM Cc1ccc(C(=O)[O-])cc1NC(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000832917554 601636732 /nfs/dbraw/zinc/63/67/32/601636732.db2.gz YROLLDIPBIGGER-UHFFFAOYSA-N -1 0 347.317 3.573 20 0 EHADRM CC(C)C(=O)Nc1ccc(OCc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000826658379 601642678 /nfs/dbraw/zinc/64/26/78/601642678.db2.gz OTTBXYHNSBOMFG-UHFFFAOYSA-N -1 0 331.343 3.697 20 0 EHADRM CCCCC[C@H](NC(=O)c1ccc(Oc2cccnc2)cc1)C(=O)[O-] ZINC000191087334 601645273 /nfs/dbraw/zinc/64/52/73/601645273.db2.gz ACPJABUPUOYRMW-KRWDZBQOSA-N -1 0 342.395 3.637 20 0 EHADRM COc1c(F)ccc(F)c1C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000831856511 601650810 /nfs/dbraw/zinc/65/08/10/601650810.db2.gz HRRVRWGWEVZQAW-UHFFFAOYSA-N -1 0 341.697 3.577 20 0 EHADRM CCC1(CC)CCN(C(=O)NCCc2ccc(NC(=O)[O-])cc2)C1 ZINC000829054906 601664646 /nfs/dbraw/zinc/66/46/46/601664646.db2.gz CINVDPFCLYPRMN-UHFFFAOYSA-N -1 0 333.432 3.541 20 0 EHADRM O=C([O-])CC[C@H](NC(=O)[C@H]1C[C@@H]1Cc1ccccc1)c1ccccc1 ZINC000833223533 601675717 /nfs/dbraw/zinc/67/57/17/601675717.db2.gz QCBVDOLYJNZJKH-FHWLQOOXSA-N -1 0 337.419 3.588 20 0 EHADRM CC[C@H](C)c1ccc(C(=O)N(C)c2nc(CC(=O)[O-])cs2)cc1 ZINC000828765128 601678133 /nfs/dbraw/zinc/67/81/33/601678133.db2.gz XQUPPTLVYNVTOF-NSHDSACASA-N -1 0 332.425 3.560 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@H]2Cc2ccccc2)cc1Cl ZINC000833319501 601678957 /nfs/dbraw/zinc/67/89/57/601678957.db2.gz WROJLLXMZMJRHI-IUODEOHRSA-N -1 0 329.783 3.856 20 0 EHADRM COc1cc(C)c(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1OC ZINC000831961614 601679712 /nfs/dbraw/zinc/67/97/12/601679712.db2.gz IEBLCJACZNYURG-UHFFFAOYSA-N -1 0 349.770 3.616 20 0 EHADRM Cc1cc([C@H](C)NC(=O)Nc2cc(C(=O)[O-])ccc2F)ccc1F ZINC000832871469 601692759 /nfs/dbraw/zinc/69/27/59/601692759.db2.gz RXPWISLAUNOXEY-JTQLQIEISA-N -1 0 334.322 3.854 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2ccc(F)cc2Cl)cc1F ZINC000833316217 601703828 /nfs/dbraw/zinc/70/38/28/601703828.db2.gz VARRRWJLCWBNKL-UHFFFAOYSA-N -1 0 326.682 3.673 20 0 EHADRM CC(C)(CNC(=O)c1cc(Cl)ccc1OC1CCCC1)C(=O)[O-] ZINC000236705725 601706696 /nfs/dbraw/zinc/70/66/96/601706696.db2.gz SGPLULMEHSBYKM-UHFFFAOYSA-N -1 0 339.819 3.502 20 0 EHADRM C[C@H]1CN(C(=O)C2(Cc3cccc(Cl)c3)CCCC2)C[C@@H]1C(=O)[O-] ZINC000828318072 601707413 /nfs/dbraw/zinc/70/74/13/601707413.db2.gz KQAUJJQIBHTFJF-BBRMVZONSA-N -1 0 349.858 3.622 20 0 EHADRM CC(C)(CNC(=O)c1ccc(-c2ccc(Cl)cc2)cc1F)C(=O)[O-] ZINC000826596312 601712433 /nfs/dbraw/zinc/71/24/33/601712433.db2.gz OUBGCJAIIGFJSV-UHFFFAOYSA-N -1 0 349.789 3.987 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1cccc2ncccc21 ZINC000833032625 601721419 /nfs/dbraw/zinc/72/14/19/601721419.db2.gz FIELAPKGHIINBF-UHFFFAOYSA-N -1 0 327.361 3.660 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)c1cc2nc(C)ccc2o1 ZINC000832959440 601727978 /nfs/dbraw/zinc/72/79/78/601727978.db2.gz HEWMJCCYAAEIDD-UHFFFAOYSA-N -1 0 331.349 3.561 20 0 EHADRM C/C(=C\C(=O)OCc1ccc(C(=O)[O-])c(F)c1)c1cccc(F)c1 ZINC000825724401 601728493 /nfs/dbraw/zinc/72/84/93/601728493.db2.gz NNAQYHDPONQYQV-YRNVUSSQSA-N -1 0 332.302 3.810 20 0 EHADRM O=C([O-])c1ccc(COC(=O)c2csc(-c3ccoc3)n2)cc1F ZINC000833353583 601729356 /nfs/dbraw/zinc/72/93/56/601729356.db2.gz WFKDTQLRQBEMAY-UHFFFAOYSA-N -1 0 347.323 3.597 20 0 EHADRM Cc1sc(C(=O)[O-])cc1COC(=O)C1(c2ccccc2F)CC1 ZINC000833031904 601729756 /nfs/dbraw/zinc/72/97/56/601729756.db2.gz QBOHKPJOVIHURY-UHFFFAOYSA-N -1 0 334.368 3.669 20 0 EHADRM O=C([O-])[C@H](NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)c1ccccc1F ZINC000678987234 601735768 /nfs/dbraw/zinc/73/57/68/601735768.db2.gz IZCDSOXDHPFJKD-OFQRWUPVSA-N -1 0 347.773 3.525 20 0 EHADRM CC1(C)CN(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c2ccccc2S1 ZINC000828068746 601739430 /nfs/dbraw/zinc/73/94/30/601739430.db2.gz BJACQOYXEFXZAF-QWHCGFSZSA-N -1 0 333.453 3.795 20 0 EHADRM Cc1ccc(SCCC(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000678984628 601743641 /nfs/dbraw/zinc/74/36/41/601743641.db2.gz DFGMXFLJTNXPFT-QGZVFWFLSA-N -1 0 347.411 3.558 20 0 EHADRM O=C([O-])CCCc1csc(NC(=O)C2(Cc3ccccc3)CC2)n1 ZINC000833229108 601747142 /nfs/dbraw/zinc/74/71/42/601747142.db2.gz RYRYNRNOXQVAEG-UHFFFAOYSA-N -1 0 344.436 3.512 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(-c2ccccc2)cc1F)C(=O)[O-] ZINC000826584661 601750561 /nfs/dbraw/zinc/75/05/61/601750561.db2.gz FNICUKSJNWDXMO-UHFFFAOYSA-N -1 0 330.359 3.725 20 0 EHADRM CC(C)(CNC(=O)Nc1ccc(SC2CCCC2)cc1)C(=O)[O-] ZINC000826590079 601750726 /nfs/dbraw/zinc/75/07/26/601750726.db2.gz FVBMZWKZFUICQY-UHFFFAOYSA-N -1 0 336.457 3.954 20 0 EHADRM CC[C@H](NC(=O)c1ccccc1OCc1ccc(Cl)cc1)C(=O)[O-] ZINC000237053563 601751943 /nfs/dbraw/zinc/75/19/43/601751943.db2.gz MHISUTXYLQABNJ-HNNXBMFYSA-N -1 0 347.798 3.512 20 0 EHADRM Cc1ccc2[nH]cc(CCC(=O)N[C@@H](C(=O)[O-])C3CCCCC3)c2c1 ZINC000832959117 601755314 /nfs/dbraw/zinc/75/53/14/601755314.db2.gz PPRNQWMBNIEKNA-LJQANCHMSA-N -1 0 342.439 3.559 20 0 EHADRM O=C([O-])[C@H](NC(=O)c1cnc(-c2ccccc2)s1)C1CCCCC1 ZINC000833124243 601755869 /nfs/dbraw/zinc/75/58/69/601755869.db2.gz ULAMYZPVSXIFCX-OAHLLOKOSA-N -1 0 344.436 3.573 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc3oc4ccccc4c3c2)C[C@H]1C(=O)[O-] ZINC000828376792 601770047 /nfs/dbraw/zinc/77/00/47/601770047.db2.gz DXSKBNBVBYAICG-IAQYHMDHSA-N -1 0 338.363 3.770 20 0 EHADRM C[C@@H]1CN(C(=O)Nc2ccc(SC(C)(C)C)cc2)C[C@H]1C(=O)[O-] ZINC000828378396 601790552 /nfs/dbraw/zinc/79/05/52/601790552.db2.gz QITHZXICTOJMBZ-BXUZGUMPSA-N -1 0 336.457 3.762 20 0 EHADRM COc1ccc(F)c(NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000327169241 601797895 /nfs/dbraw/zinc/79/78/95/601797895.db2.gz SCVQNVSEOLDVPU-UHFFFAOYSA-N -1 0 346.358 3.841 20 0 EHADRM Cc1cc(CCCC(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c(C)s1 ZINC000345768822 601801535 /nfs/dbraw/zinc/80/15/35/601801535.db2.gz BKBSXXSGKDGZJL-BBWFWOEESA-N -1 0 349.496 3.932 20 0 EHADRM COc1cccc([C@H](C)CC(=O)Oc2c(OC)cccc2C(=O)[O-])c1 ZINC000832532565 601802023 /nfs/dbraw/zinc/80/20/23/601802023.db2.gz CVASXJSLHSDELA-GFCCVEGCSA-N -1 0 344.363 3.501 20 0 EHADRM C[C@H](C(=O)N[C@H](C(=O)[O-])c1cccs1)c1ccc2ccccc2c1 ZINC000825995049 601802290 /nfs/dbraw/zinc/80/22/90/601802290.db2.gz LNHTUKPMHUZMPB-SJCJKPOMSA-N -1 0 339.416 3.947 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC000479518794 601802999 /nfs/dbraw/zinc/80/29/99/601802999.db2.gz RLTLJTBFJYJWBT-NSHDSACASA-N -1 0 331.343 3.665 20 0 EHADRM O=C([O-])c1sccc1CN1CCn2cccc2[C@@H]1c1ccccc1 ZINC000833348112 601807178 /nfs/dbraw/zinc/80/71/78/601807178.db2.gz AHPGYZPVBMBEKU-KRWDZBQOSA-N -1 0 338.432 3.853 20 0 EHADRM COc1ccc(CC(=O)Nc2scc(C3CC3)c2C(=O)[O-])cc1F ZINC000832287273 601809088 /nfs/dbraw/zinc/80/90/88/601809088.db2.gz LIQWEUCGHVKVTL-UHFFFAOYSA-N -1 0 349.383 3.653 20 0 EHADRM O=C([O-])c1c(C2CC2)csc1NC(=O)[C@H]1CCOc2ccccc21 ZINC000738669399 601809738 /nfs/dbraw/zinc/80/97/38/601809738.db2.gz OAKGLRGNLDUQNG-LBPRGKRZSA-N -1 0 343.404 3.829 20 0 EHADRM COC(=O)c1sccc1CSc1nc2ccc(C(=O)[O-])cc2o1 ZINC000831479836 601810588 /nfs/dbraw/zinc/81/05/88/601810588.db2.gz VELTZLFGLSYIDY-UHFFFAOYSA-N -1 0 349.389 3.666 20 0 EHADRM COc1cccc([C@@H](C)CC(=O)Oc2ccc(NC(=O)[O-])cc2)c1 ZINC000832533822 601811135 /nfs/dbraw/zinc/81/11/35/601811135.db2.gz QLQPDTFXIPVSAA-LBPRGKRZSA-N -1 0 329.352 3.884 20 0 EHADRM O=C([O-])c1ccc(CSCC(=O)Nc2ccccc2F)cc1F ZINC000833115759 601814438 /nfs/dbraw/zinc/81/44/38/601814438.db2.gz GJADYADWGVKJJX-UHFFFAOYSA-N -1 0 337.347 3.535 20 0 EHADRM CC[C@@H](CC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccc(C)cc1 ZINC000539683947 601816206 /nfs/dbraw/zinc/81/62/06/601816206.db2.gz ZABNHITWCJFNHT-KRWDZBQOSA-N -1 0 331.456 3.982 20 0 EHADRM Cc1ccc(OCCCC(=O)N2CCC(CCC(=O)[O-])CC2)cc1C ZINC000537481533 601822195 /nfs/dbraw/zinc/82/21/95/601822195.db2.gz CXBBNXRJOUXRBI-UHFFFAOYSA-N -1 0 347.455 3.566 20 0 EHADRM O=C([O-])CCC1CCN(C(=O)NCc2csc3ccccc23)CC1 ZINC000659393663 601824589 /nfs/dbraw/zinc/82/45/89/601824589.db2.gz BKUZXGSAPNNAAM-UHFFFAOYSA-N -1 0 346.452 3.688 20 0 EHADRM O=C([O-])CCC1CCN(c2nc(C(F)F)nc3ccccc32)CC1 ZINC000662884597 601830229 /nfs/dbraw/zinc/83/02/29/601830229.db2.gz WRZXRZUIDTYLNU-UHFFFAOYSA-N -1 0 335.354 3.649 20 0 EHADRM Cc1ccccc1-c1noc(CNc2cc(F)c(F)cc2C(=O)[O-])n1 ZINC000832973697 601831301 /nfs/dbraw/zinc/83/13/01/601831301.db2.gz APMSSEWLJCIQJV-UHFFFAOYSA-N -1 0 345.305 3.634 20 0 EHADRM O=C([O-])c1ccc(CSCCC(=O)Nc2ccc(F)cc2)s1 ZINC000833100964 601847131 /nfs/dbraw/zinc/84/71/31/601847131.db2.gz KYTAXUYQFXCHJS-UHFFFAOYSA-N -1 0 339.413 3.847 20 0 EHADRM Cc1ccc(N2CCCC2)c(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000832938566 601850080 /nfs/dbraw/zinc/85/00/80/601850080.db2.gz JSAMPWQDEUTUTL-UHFFFAOYSA-N -1 0 342.370 3.685 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)NCCc2cccc3ccccc32)c1 ZINC000833143426 601851097 /nfs/dbraw/zinc/85/10/97/601851097.db2.gz IPVDYNZMCXKTSQ-UHFFFAOYSA-N -1 0 348.402 3.580 20 0 EHADRM CCSc1cc(C(=O)Oc2ccc(SCC(=O)[O-])cc2)ccn1 ZINC000830169368 601870599 /nfs/dbraw/zinc/87/05/99/601870599.db2.gz UIJHWYJACKIZOD-UHFFFAOYSA-N -1 0 349.433 3.590 20 0 EHADRM Cc1ccc(CC(=O)Oc2ccc(SCC(=O)[O-])cc2)cc1C ZINC000832928448 601873822 /nfs/dbraw/zinc/87/38/22/601873822.db2.gz DRJKCJOUTZYJRI-UHFFFAOYSA-N -1 0 330.405 3.628 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)[C@@H]2C[C@@H]2Cc2ccccc2)cc1 ZINC000833262075 601875416 /nfs/dbraw/zinc/87/54/16/601875416.db2.gz ATRGLUJCWXQLKQ-WMLDXEAASA-N -1 0 342.416 3.648 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)c2cccc3cccnc32)cc1 ZINC000833264398 601875966 /nfs/dbraw/zinc/87/59/66/601875966.db2.gz QIVVJOMEFKSFOE-UHFFFAOYSA-N -1 0 339.372 3.631 20 0 EHADRM O=C([O-])CSc1ccc(OC(=O)c2cc3cccc(F)c3o2)cc1 ZINC000833264362 601877622 /nfs/dbraw/zinc/87/76/22/601877622.db2.gz OJNKDDKZUTZBIP-UHFFFAOYSA-N -1 0 346.335 3.968 20 0 EHADRM CS[C@@H](C(=O)Oc1ccc(SCC(=O)[O-])cc1)c1ccccc1 ZINC000832736341 601878601 /nfs/dbraw/zinc/87/86/01/601878601.db2.gz TZZULVJPPNRTJL-MRXNPFEDSA-N -1 0 348.445 3.873 20 0 EHADRM CC[C@@H](NC(=O)NCc1cccc(C(=O)[O-])c1)c1cc(F)ccc1F ZINC000828951399 601881327 /nfs/dbraw/zinc/88/13/27/601881327.db2.gz MRAPUXRDHKCSHP-MRXNPFEDSA-N -1 0 348.349 3.614 20 0 EHADRM CC(C)C[C@H]1CCCCN1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000826832147 601881400 /nfs/dbraw/zinc/88/14/00/601881400.db2.gz MYWZDXSDLKXGNL-QGZVFWFLSA-N -1 0 347.459 3.929 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)N[C@@H](CC2CC2)c2ccccc2)c1 ZINC000833144844 601882933 /nfs/dbraw/zinc/88/29/33/601882933.db2.gz IGBRNWUTJVWULX-SFHVURJKSA-N -1 0 338.407 3.725 20 0 EHADRM O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)Nc1ccc(F)cc1F ZINC000833156138 601884121 /nfs/dbraw/zinc/88/41/21/601884121.db2.gz BUOOAEUWMHZTSE-YPMHNXCESA-N -1 0 326.343 3.510 20 0 EHADRM O=C([O-])c1cccc(C(=O)Nc2cc(F)ccc2Br)c1 ZINC000232224293 601895932 /nfs/dbraw/zinc/89/59/32/601895932.db2.gz RURNCYZYVUNCKH-UHFFFAOYSA-N -1 0 338.132 3.539 20 0 EHADRM CN(c1nc(COc2cc(Cl)ccc2C(=O)[O-])cs1)C1CC1 ZINC000830893756 601898986 /nfs/dbraw/zinc/89/89/86/601898986.db2.gz CXDIAEUOZXNNLW-UHFFFAOYSA-N -1 0 338.816 3.672 20 0 EHADRM COc1ccccc1[C@H](C)CC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000262055212 601913427 /nfs/dbraw/zinc/91/34/27/601913427.db2.gz AMRZXACDLNLBFV-HYVNUMGLSA-N -1 0 347.455 3.729 20 0 EHADRM CCC(CC)(C(=O)NCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000236872523 601918601 /nfs/dbraw/zinc/91/86/01/601918601.db2.gz DZCPSVGCIPOEJF-UHFFFAOYSA-N -1 0 325.408 3.759 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)CCc2ccc(-c3ccccc3)o2)c1 ZINC000532001252 601919299 /nfs/dbraw/zinc/91/92/99/601919299.db2.gz WICFYCYOUONHQO-UHFFFAOYSA-N -1 0 349.386 3.894 20 0 EHADRM C[C@H](C(=O)NCc1cccc(C(=O)[O-])c1)c1ccc2ccccc2c1 ZINC000678933965 601924088 /nfs/dbraw/zinc/92/40/88/601924088.db2.gz XKWNVGAYVSOKOI-AWEZNQCLSA-N -1 0 333.387 3.958 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2ccc(Cl)c3cccnc23)c1 ZINC000344434040 601925279 /nfs/dbraw/zinc/92/52/79/601925279.db2.gz ACNWYYNIFABCFT-UHFFFAOYSA-N -1 0 340.766 3.516 20 0 EHADRM O=C([O-])c1cccc(CNC(=O)c2ccccc2Oc2cccnc2)c1 ZINC000678931462 601928451 /nfs/dbraw/zinc/92/84/51/601928451.db2.gz GATVLZQPUBCRDM-UHFFFAOYSA-N -1 0 348.358 3.502 20 0 EHADRM O=C([O-])c1cccc(C(=O)N[C@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC000833328669 601940118 /nfs/dbraw/zinc/94/01/18/601940118.db2.gz WVKMQCGSAXQVKQ-INIZCTEOSA-N -1 0 337.375 3.561 20 0 EHADRM CCC[C@H](NC(=O)[O-])C(=O)Nc1ccccc1SC(F)(F)F ZINC000739324858 601952489 /nfs/dbraw/zinc/95/24/89/601952489.db2.gz FKLKNALLKXSKNC-VIFPVBQESA-N -1 0 336.335 3.673 20 0 EHADRM O=C([O-])c1cc(NC(=O)COC/C=C/c2ccccc2)ccc1Cl ZINC000833111809 601962874 /nfs/dbraw/zinc/96/28/74/601962874.db2.gz GJCOOHKEVUFICL-QPJJXVBHSA-N -1 0 345.782 3.707 20 0 EHADRM COC(C)(C)c1noc(-c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000831487684 601969836 /nfs/dbraw/zinc/96/98/36/601969836.db2.gz KTUYNSFKBSSKLP-UHFFFAOYSA-N -1 0 345.277 3.727 20 0 EHADRM O=C([O-])c1ccc(OC(=O)/C=C/SCc2ccco2)c(Cl)c1 ZINC000833092932 601972950 /nfs/dbraw/zinc/97/29/50/601972950.db2.gz PJAJPFLDXHMPMO-FNORWQNLSA-N -1 0 338.768 3.984 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)c1cc(C)c(F)cc1Cl ZINC000832869898 601985205 /nfs/dbraw/zinc/98/52/05/601985205.db2.gz SLRLMRNGTFHMQB-UHFFFAOYSA-N -1 0 326.707 3.744 20 0 EHADRM C[C@]1(C(=O)[O-])CCN(C(=O)Nc2ccc3nc(C4CC4)sc3c2)C1 ZINC000263459071 601992142 /nfs/dbraw/zinc/99/21/42/601992142.db2.gz CZWVBCHGKVCNKV-KRWDZBQOSA-N -1 0 345.424 3.502 20 0 EHADRM CC[C@H]1CCCN1C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000829125578 601995728 /nfs/dbraw/zinc/99/57/28/601995728.db2.gz NGEXOXICPBPFIG-LBPRGKRZSA-N -1 0 330.306 3.810 20 0 EHADRM O=C([O-])c1sc(N2CCC[C@H](Nc3ccccc3)C2)nc1Cl ZINC000833345822 602007412 /nfs/dbraw/zinc/00/74/12/602007412.db2.gz DMHHOZLWOYLMJB-NSHDSACASA-N -1 0 337.832 3.576 20 0 EHADRM COc1ccccc1[C@@H](C)CC(=O)OCc1ccc(C(=O)[O-])s1 ZINC000832590115 602008076 /nfs/dbraw/zinc/00/80/76/602008076.db2.gz YVSQMDSHAIZZOV-NSHDSACASA-N -1 0 334.393 3.692 20 0 EHADRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2sc3cc(F)ccc3c2Cl)C1 ZINC000316082874 602008515 /nfs/dbraw/zinc/00/85/15/602008515.db2.gz IVEYLRZPVVXIMU-OAHLLOKOSA-N -1 0 341.791 3.631 20 0 EHADRM O=C([O-])c1ccc(COC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)s1 ZINC000833314914 602011681 /nfs/dbraw/zinc/01/16/81/602011681.db2.gz LWXXQGHHOYKCNQ-PWSUYJOCSA-N -1 0 338.331 3.571 20 0 EHADRM O=C([O-])C[C@H]1CN(C(=O)c2cccc(Cl)c2F)c2ccccc21 ZINC000390932828 602016796 /nfs/dbraw/zinc/01/67/96/602016796.db2.gz JITAZTSWUKFVNA-JTQLQIEISA-N -1 0 333.746 3.698 20 0 EHADRM Cc1cc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)sc1-c1ccc(F)cc1 ZINC000237707680 602018423 /nfs/dbraw/zinc/01/84/23/602018423.db2.gz HQMLMRBGYOHXPI-GOSISDBHSA-N -1 0 347.411 3.799 20 0 EHADRM CCOc1ccc(NC(=O)NCc2cccc(C(=O)[O-])c2)cc1Cl ZINC000830084442 602033394 /nfs/dbraw/zinc/03/33/94/602033394.db2.gz DNKOPJIWWBEYDU-UHFFFAOYSA-N -1 0 348.786 3.759 20 0 EHADRM O=C([O-])Cc1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)c1 ZINC000149878665 602069232 /nfs/dbraw/zinc/06/92/32/602069232.db2.gz ANYZQIXMFHCQIZ-UHFFFAOYSA-N -1 0 339.322 3.965 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000345868383 602072789 /nfs/dbraw/zinc/07/27/89/602072789.db2.gz LJSBMZXLEALNSE-MRXNPFEDSA-N -1 0 329.421 3.823 20 0 EHADRM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000236711668 602073719 /nfs/dbraw/zinc/07/37/19/602073719.db2.gz KXRAEHSMPDPTSK-UHFFFAOYSA-N -1 0 347.798 3.763 20 0 EHADRM CSC[C@H](C)C(=O)O[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000832753376 602086446 /nfs/dbraw/zinc/08/64/46/602086446.db2.gz KOPIGAGFGIEVPU-WRWORJQWSA-N -1 0 337.224 3.661 20 0 EHADRM C[C@H](C(=O)O[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1)C(F)(F)F ZINC000826061312 602087287 /nfs/dbraw/zinc/08/72/87/602087287.db2.gz KGZSPFNFEXBSRR-MLUIRONXSA-N -1 0 345.100 3.861 20 0 EHADRM CC[C@@H]1CC[C@@H](C(=O)O[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)O1 ZINC000829082245 602088763 /nfs/dbraw/zinc/08/87/63/602088763.db2.gz SXEKFHJWJUEIAP-FRRDWIJNSA-N -1 0 347.194 3.620 20 0 EHADRM CC[C@@H]1CC[C@H](C(=O)O[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)O1 ZINC000829082248 602089017 /nfs/dbraw/zinc/08/90/17/602089017.db2.gz SXEKFHJWJUEIAP-UPJWGTAASA-N -1 0 347.194 3.620 20 0 EHADRM O=C([O-])[C@@H](OC(=O)CCc1ccoc1)c1cc(Cl)cc(Cl)c1 ZINC000833103458 602089514 /nfs/dbraw/zinc/08/95/14/602089514.db2.gz LPFBOGDEAXPITQ-AWEZNQCLSA-N -1 0 343.162 3.888 20 0 EHADRM O=C([O-])[C@H](OC(=O)[C@H]1CC12CCC2)c1cc(Cl)cc(Cl)c1 ZINC000833168841 602091183 /nfs/dbraw/zinc/09/11/83/602091183.db2.gz FDAGZJPZBZXTFM-VXGBXAGGSA-N -1 0 329.179 3.853 20 0 EHADRM CCO[C@H]1C[C@H](N(C)C(=O)Nc2cccc(C(=O)[O-])c2C)C12CCC2 ZINC000829918848 602093358 /nfs/dbraw/zinc/09/33/58/602093358.db2.gz UTGDLGXSENLQRZ-HOTGVXAUSA-N -1 0 346.427 3.505 20 0 EHADRM C[C@@H]1CN(C(=O)NCCCCCCCC(=O)[O-])[C@H]1c1ccccc1 ZINC000828354857 602094910 /nfs/dbraw/zinc/09/49/10/602094910.db2.gz QYYJMYLTECTFEG-CRAIPNDOSA-N -1 0 332.444 3.814 20 0 EHADRM CCC(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)cc1 ZINC000828574027 602099930 /nfs/dbraw/zinc/09/99/30/602099930.db2.gz HRVJUMVMVQFEAI-UHFFFAOYSA-N -1 0 343.404 3.780 20 0 EHADRM CCC(=O)c1ccc(C(=O)Oc2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000828574170 602101170 /nfs/dbraw/zinc/10/11/70/602101170.db2.gz KECZRKZADNOATK-UHFFFAOYSA-N -1 0 332.739 3.850 20 0 EHADRM Cc1ccc2cccc(NC(=O)Nc3cccc(CC(=O)[O-])c3)c2n1 ZINC000327214086 602102628 /nfs/dbraw/zinc/10/26/28/602102628.db2.gz HTWLVHBQQNQEIA-UHFFFAOYSA-N -1 0 335.363 3.814 20 0 EHADRM C[C@@H](CC(=O)[O-])c1nc(-c2ccc(OCc3ccccc3)cc2)no1 ZINC000827392213 602102848 /nfs/dbraw/zinc/10/28/48/602102848.db2.gz VSFCWHBBXCPPMA-ZDUSSCGKSA-N -1 0 338.363 3.894 20 0 EHADRM O=C([O-])C[C@H](NC(=O)c1ccc2sccc2c1)c1ccccc1 ZINC000345782668 602104289 /nfs/dbraw/zinc/10/42/89/602104289.db2.gz RFOLFEGSSXKAFJ-HNNXBMFYSA-N -1 0 325.389 3.847 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N[C@H](CCc1ccccc1)c1ccccc1 ZINC000827272530 602105480 /nfs/dbraw/zinc/10/54/80/602105480.db2.gz OHOJMOJXJKGLDR-CRAIPNDOSA-N -1 0 325.408 3.588 20 0 EHADRM O=C([O-])c1ccc(COc2c(Cl)cccc2[N+](=O)[O-])cc1F ZINC000319545264 602125438 /nfs/dbraw/zinc/12/54/38/602125438.db2.gz RELUCVQLBGYYMW-UHFFFAOYSA-N -1 0 325.679 3.665 20 0 EHADRM O=C([O-])c1cccc(NCc2nnc(-c3cccc(Cl)c3)o2)c1 ZINC000833331390 602127659 /nfs/dbraw/zinc/12/76/59/602127659.db2.gz GQPSVAADPQEPSO-UHFFFAOYSA-N -1 0 329.743 3.700 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)N1CCC(c2cccc3ccccc32)CC1 ZINC000827255794 602131771 /nfs/dbraw/zinc/13/17/71/602131771.db2.gz GAJAZZSICHDKAK-CQSZACIVSA-N -1 0 325.408 3.657 20 0 EHADRM C[C@H](CC(=O)[O-])C(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1 ZINC000827311071 602138349 /nfs/dbraw/zinc/13/83/49/602138349.db2.gz PKAPJPDMRVLWTE-KGLIPLIRSA-N -1 0 326.396 3.909 20 0 EHADRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)Nc1cccc(SC(F)F)c1 ZINC000739239694 602152972 /nfs/dbraw/zinc/15/29/72/602152972.db2.gz SNHXEFCXPUEFPN-KWQFWETISA-N -1 0 332.372 3.622 20 0 EHADRM CN(C(=O)C(C)(C)C)c1ccc(OCc2cc(C(=O)[O-])co2)cc1 ZINC000830458293 602158986 /nfs/dbraw/zinc/15/89/86/602158986.db2.gz RTUMQVWTVCMZHC-UHFFFAOYSA-N -1 0 331.368 3.566 20 0 EHADRM COc1cc(OC)cc([C@@H](Nc2cccc(SC)c2)C(=O)[O-])c1 ZINC000832065162 602162952 /nfs/dbraw/zinc/16/29/52/602162952.db2.gz HRHIILSLZHBRPO-MRXNPFEDSA-N -1 0 333.409 3.664 20 0 EHADRM Cc1sc(NC(=O)[C@H](C)CC(=O)[O-])nc1-c1ccc2c(c1)CCC2 ZINC000833034625 602176148 /nfs/dbraw/zinc/17/61/48/602176148.db2.gz ZMKSZFVAQOQPHY-SNVBAGLBSA-N -1 0 344.436 3.657 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)c1cc(-c2cccs2)on1 ZINC000740715129 602176928 /nfs/dbraw/zinc/17/69/28/602176928.db2.gz GBLXTADJKKRIJX-UHFFFAOYSA-N -1 0 329.337 3.745 20 0 EHADRM CC(C)c1ccc(OCC(=O)Nc2ccccc2NC(=O)[O-])cc1 ZINC000738877295 602178314 /nfs/dbraw/zinc/17/83/14/602178314.db2.gz SGUYLHHYMBJDAL-UHFFFAOYSA-N -1 0 328.368 3.917 20 0 EHADRM O=C([O-])c1csc(NC(=O)c2csc(-c3cccs3)n2)c1 ZINC000191357022 602178651 /nfs/dbraw/zinc/17/86/51/602178651.db2.gz AXLFQDGBTIYVPW-UHFFFAOYSA-N -1 0 336.419 3.884 20 0 EHADRM Cc1oc(CS(=O)(=O)[C@H](C)c2cccc(Cl)c2)cc1C(=O)[O-] ZINC000833027762 602182412 /nfs/dbraw/zinc/18/24/12/602182412.db2.gz XGMIZWCPKKQAPX-SNVBAGLBSA-N -1 0 342.800 3.616 20 0 EHADRM O=C([O-])c1csc(NC(=O)Cc2ccccc2C(F)(F)F)c1 ZINC000191383611 602184956 /nfs/dbraw/zinc/18/49/56/602184956.db2.gz BUGXSXMNMADXEG-UHFFFAOYSA-N -1 0 329.299 3.646 20 0 EHADRM Cc1cc(OC(F)F)c(C(=O)Nc2cc(C(=O)[O-])cs2)s1 ZINC000191383250 602186573 /nfs/dbraw/zinc/18/65/73/602186573.db2.gz LWVZDCKJCONNIK-UHFFFAOYSA-N -1 0 333.337 3.670 20 0 EHADRM Cc1nc(-c2ccccc2)ncc1C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000832992427 602188466 /nfs/dbraw/zinc/18/84/66/602188466.db2.gz JIINZQCFWBRRDN-UHFFFAOYSA-N -1 0 349.346 3.761 20 0 EHADRM C[C@H](CC(=O)Nc1cccc(CNC(=O)[O-])c1)c1ccccc1F ZINC000738890712 602198908 /nfs/dbraw/zinc/19/89/08/602198908.db2.gz JZNOKHMMOBYYKF-GFCCVEGCSA-N -1 0 330.359 3.726 20 0 EHADRM C[C@H]1CCN(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)[C@H]1C ZINC000828278888 602224056 /nfs/dbraw/zinc/22/40/56/602224056.db2.gz STYXSCCEBVUVQR-STQMWFEESA-N -1 0 342.395 3.565 20 0 EHADRM Cc1ccccc1NC(=S)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000740184766 602235251 /nfs/dbraw/zinc/23/52/51/602235251.db2.gz DEZFRMTVYDTDJZ-UHFFFAOYSA-N -1 0 327.409 3.844 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)c3cc4c(s3)CCCC4)ccc21 ZINC000740470180 602244525 /nfs/dbraw/zinc/24/45/25/602244525.db2.gz KPHJVWDMCKVKMC-UHFFFAOYSA-N -1 0 342.420 3.920 20 0 EHADRM CCN(Cc1cccc(NC(=O)c2cccc(F)c2F)c1)C(=O)[O-] ZINC000739448198 602245184 /nfs/dbraw/zinc/24/51/84/602245184.db2.gz SFJUVYUUNHYEOP-UHFFFAOYSA-N -1 0 334.322 3.717 20 0 EHADRM Cc1cc(C(=O)N2CCN(C(=O)[O-])Cc3ccccc32)c(C)s1 ZINC000740054899 602245264 /nfs/dbraw/zinc/24/52/64/602245264.db2.gz GFYRRFMBMAKLEK-UHFFFAOYSA-N -1 0 330.409 3.505 20 0 EHADRM O=C([O-])NC1(CNC(=O)c2ccc(C(F)F)cc2)CCCCCC1 ZINC000740546919 602246243 /nfs/dbraw/zinc/24/62/43/602246243.db2.gz CIQPUDPTSDQDKA-UHFFFAOYSA-N -1 0 340.370 3.715 20 0 EHADRM Cc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2C)C(=O)[O-])cc1 ZINC000439945311 602248227 /nfs/dbraw/zinc/24/82/27/602248227.db2.gz VMKJAGSMGDCPRX-MRXNPFEDSA-N -1 0 331.799 3.555 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)c3cc4c(cccc4F)[nH]3)ccc21 ZINC000740470851 602252955 /nfs/dbraw/zinc/25/29/55/602252955.db2.gz PWOYAGQHLDAVCT-UHFFFAOYSA-N -1 0 339.326 3.600 20 0 EHADRM CC[C@H](OC(=O)[C@H](C)CC(=O)[O-])c1ccc(Br)cc1 ZINC000829004542 602259095 /nfs/dbraw/zinc/25/90/95/602259095.db2.gz LABXYLAJUVNACA-SKDRFNHKSA-N -1 0 329.190 3.554 20 0 EHADRM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)[C@H](NC(=O)[O-])C(C)C ZINC000832891713 602264100 /nfs/dbraw/zinc/26/41/00/602264100.db2.gz XFFYTGIPLOYQFT-WMLDXEAASA-N -1 0 347.459 3.605 20 0 EHADRM C[C@H](COc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000827524674 602270689 /nfs/dbraw/zinc/27/06/89/602270689.db2.gz KDJZDPMGMNVEQH-WBMJQRKESA-N -1 0 348.782 3.724 20 0 EHADRM C[C@@H](CC(=O)[O-])C(=O)OCc1csc(-c2ccc(Cl)cc2)n1 ZINC000827348581 602276062 /nfs/dbraw/zinc/27/60/62/602276062.db2.gz IJPVDIVCIVQYLT-VIFPVBQESA-N -1 0 339.800 3.618 20 0 EHADRM Cc1ccccc1CN(C)C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000740185401 602279459 /nfs/dbraw/zinc/27/94/59/602279459.db2.gz VIAVDSAEDAJKFZ-UHFFFAOYSA-N -1 0 339.395 3.699 20 0 EHADRM CC(C)c1ccc(NC(=O)CNc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000827125023 602303110 /nfs/dbraw/zinc/30/31/10/602303110.db2.gz WQMXMBNBKZNLBL-UHFFFAOYSA-N -1 0 330.359 3.698 20 0 EHADRM CC(C)C[C@@H](C)N(C(=O)CCNC(=O)[O-])c1ccc2[nH]ccc2c1 ZINC000736403966 602305059 /nfs/dbraw/zinc/30/50/59/602305059.db2.gz MFENBDMABFEXRG-CYBMUJFWSA-N -1 0 331.416 3.593 20 0 EHADRM CC[C@H](Cc1ccccc1)N(CC)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000499166676 602328918 /nfs/dbraw/zinc/32/89/18/602328918.db2.gz FKCAOJINDMRVQW-FGTMMUONSA-N -1 0 331.456 3.747 20 0 EHADRM C[C@@H](C(=O)N(C)c1ncc(C(=O)[O-])s1)c1ccc2ccccc2c1 ZINC000825972317 602334678 /nfs/dbraw/zinc/33/46/78/602334678.db2.gz MUXSORYYUNRCDV-LLVKDONJSA-N -1 0 340.404 3.761 20 0 EHADRM CC(C)[C@@H](CC(=O)N(C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC000826681893 602339442 /nfs/dbraw/zinc/33/94/42/602339442.db2.gz TTXHCKWZSSHUSY-CYBMUJFWSA-N -1 0 332.425 3.634 20 0 EHADRM C[C@@H](CCc1cccc(F)c1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000767207602 602354046 /nfs/dbraw/zinc/35/40/46/602354046.db2.gz YOEDAIAJPAPQKA-NSHDSACASA-N -1 0 333.334 3.870 20 0 EHADRM C[C@H](CC(=O)c1ccccc1F)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000827398014 602356597 /nfs/dbraw/zinc/35/65/97/602356597.db2.gz QNYNXYLFQBSWOT-SNVBAGLBSA-N -1 0 347.317 3.511 20 0 EHADRM C[C@H](C(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccc(Cl)s1 ZINC000761749021 602357378 /nfs/dbraw/zinc/35/73/78/602357378.db2.gz PKQPTJXDDDCSAL-ZETCQYMHSA-N -1 0 327.764 3.981 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)cc1F ZINC000767200143 602358654 /nfs/dbraw/zinc/35/86/54/602358654.db2.gz NVTBLNNHWRWIBD-WDEREUQCSA-N -1 0 335.281 3.544 20 0 EHADRM CC(C)c1ccc([C@@H](CNC(=O)c2cccs2)NC(=O)[O-])cc1 ZINC000738884872 602361502 /nfs/dbraw/zinc/36/15/02/602361502.db2.gz XJQNLICTVQEEAV-CQSZACIVSA-N -1 0 332.425 3.610 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)CCN(C(=O)[O-])C(C)C ZINC000739439481 602366459 /nfs/dbraw/zinc/36/64/59/602366459.db2.gz KKFBNIUQAHZMLV-UHFFFAOYSA-N -1 0 332.853 3.529 20 0 EHADRM Cc1cccc([C@H]2CCCN2C(=O)Nc2cc(C(=O)[O-])n(C)c2)c1C ZINC000832969113 602366939 /nfs/dbraw/zinc/36/69/39/602366939.db2.gz UOVHUPIVVQNPLW-MRXNPFEDSA-N -1 0 341.411 3.709 20 0 EHADRM CN(Cc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000323261791 602368851 /nfs/dbraw/zinc/36/88/51/602368851.db2.gz WZFOHFZEJUMTLD-UHFFFAOYSA-N -1 0 336.750 3.841 20 0 EHADRM Cc1ccc([C@@H](C)N(C)C(=O)Nc2cc(C(=O)[O-])n(C)c2)c(C)c1 ZINC000832922366 602371709 /nfs/dbraw/zinc/37/17/09/602371709.db2.gz WTZDUTOWBFPSAX-CYBMUJFWSA-N -1 0 329.400 3.565 20 0 EHADRM Cn1cc(NC(=O)NC2CCC(c3ccccc3)CC2)cc1C(=O)[O-] ZINC000833052233 602371909 /nfs/dbraw/zinc/37/19/09/602371909.db2.gz WFERAZBHBLGDHT-UHFFFAOYSA-N -1 0 341.411 3.571 20 0 EHADRM O=C([O-])NC1(C(=O)Nc2ccc(OC3CCCC3)cc2)CCCC1 ZINC000740543594 602376642 /nfs/dbraw/zinc/37/66/42/602376642.db2.gz XHCDDZGWWQWFAF-UHFFFAOYSA-N -1 0 332.400 3.527 20 0 EHADRM Cc1c(CNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)oc2ccccc12 ZINC000832853736 602377162 /nfs/dbraw/zinc/37/71/62/602377162.db2.gz UIFIYOHXHGWWDL-UHFFFAOYSA-N -1 0 342.326 3.900 20 0 EHADRM Cc1ccc(C)c([C@H](C)N(C)C(=O)C2CCC(NC(=O)[O-])CC2)c1 ZINC000740115197 602381872 /nfs/dbraw/zinc/38/18/72/602381872.db2.gz CBWHSYBNCMGYQO-FHERZECASA-N -1 0 332.444 3.649 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N[C@H]2CCCOc3ccccc32)cc1F ZINC000833153706 602383758 /nfs/dbraw/zinc/38/37/58/602383758.db2.gz PIZDMRZUAMEZKS-HNNXBMFYSA-N -1 0 344.342 3.559 20 0 EHADRM CC(C)[C@H](NC(=O)[O-])C(=O)Nc1ccc(-c2ccccc2)cc1F ZINC000736373838 602386164 /nfs/dbraw/zinc/38/61/64/602386164.db2.gz GILGRQCWZIHQRH-INIZCTEOSA-N -1 0 330.359 3.723 20 0 EHADRM Cc1cc([C@@H](C)NC(=O)[C@H](NC(=O)[O-])c2ccccc2)c(C)s1 ZINC000740058801 602387104 /nfs/dbraw/zinc/38/71/04/602387104.db2.gz FINPWNJITJEPBM-IAQYHMDHSA-N -1 0 332.425 3.551 20 0 EHADRM Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc(C(=O)[O-])c(F)c2)o1 ZINC000832928963 602387171 /nfs/dbraw/zinc/38/71/71/602387171.db2.gz ZCJWGASYZPVDCZ-CQSZACIVSA-N -1 0 332.331 3.794 20 0 EHADRM O=C([O-])c1ccc(NC(=O)N2CC[C@H](Cc3ccccc3)C2)cc1F ZINC000833320073 602390928 /nfs/dbraw/zinc/39/09/28/602390928.db2.gz SVPCPNPMPBCTKP-CQSZACIVSA-N -1 0 342.370 3.620 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc(C(=O)[O-])c(F)c2)o1 ZINC000326064650 602393792 /nfs/dbraw/zinc/39/37/92/602393792.db2.gz FTNUQUNCLAWIDI-QMTHXVAHSA-N -1 0 331.343 3.812 20 0 EHADRM COc1ccc(C2(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)CCC2)cc1 ZINC000832265722 602394151 /nfs/dbraw/zinc/39/41/51/602394151.db2.gz QJFSBBAYJVKEEU-UHFFFAOYSA-N -1 0 343.354 3.593 20 0 EHADRM O=C([O-])c1ccc(NC(=O)[C@H]2SCCc3sccc32)cc1F ZINC000767207093 602394163 /nfs/dbraw/zinc/39/41/63/602394163.db2.gz ZKQCTHRHLIUFJK-ZDUSSCGKSA-N -1 0 337.397 3.555 20 0 EHADRM Cc1cc(NC(=O)c2cc(-c3ccc(F)cc3)on2)sc1C(=O)[O-] ZINC000832896486 602396661 /nfs/dbraw/zinc/39/66/61/602396661.db2.gz ZHZXVGSMWPBNLF-UHFFFAOYSA-N -1 0 346.339 3.801 20 0 EHADRM CSc1ccc(Cl)c(C(=O)N(CC(=O)[O-])C2CCCC2)c1 ZINC000037586435 602399776 /nfs/dbraw/zinc/39/97/76/602399776.db2.gz BMGLIVLMZMDVQD-UHFFFAOYSA-N -1 0 327.833 3.531 20 0 EHADRM CC(C)CN(C(=O)CCCN(C)C(=O)[O-])c1ccc(Cl)cc1 ZINC000826865752 602401347 /nfs/dbraw/zinc/40/13/47/602401347.db2.gz USWDMKXAGLTWJQ-UHFFFAOYSA-N -1 0 326.824 3.719 20 0 EHADRM Cc1cccc(OCCc2nc([C@@H](CC(C)C)NC(=O)[O-])no2)c1C ZINC000740172928 602407454 /nfs/dbraw/zinc/40/74/54/602407454.db2.gz JQFGOKNTKVPJKC-CQSZACIVSA-N -1 0 347.415 3.663 20 0 EHADRM CCSc1cc(-c2nc([C@H](CC(C)C)NC(=O)[O-])no2)ccn1 ZINC000739519798 602410362 /nfs/dbraw/zinc/41/03/62/602410362.db2.gz XZBXZPLNFLYJGA-NSHDSACASA-N -1 0 336.417 3.598 20 0 EHADRM C[C@H](Cc1cccc(F)c1)c1nc(C2(NC(=O)[O-])CCCC2)no1 ZINC000738944776 602411875 /nfs/dbraw/zinc/41/18/75/602411875.db2.gz OTCIPPWGDWUPCE-LLVKDONJSA-N -1 0 333.363 3.592 20 0 EHADRM Cc1cccc(O[C@@H](C)c2nc(C3(NC(=O)[O-])CCCC3)no2)c1 ZINC000740173624 602412169 /nfs/dbraw/zinc/41/21/69/602412169.db2.gz WKSAQIKYDNYGFR-LBPRGKRZSA-N -1 0 331.372 3.555 20 0 EHADRM CCN(Cc1ccccc1NC(=O)c1ccc(C(C)=O)cc1)C(=O)[O-] ZINC000739442828 602450611 /nfs/dbraw/zinc/45/06/11/602450611.db2.gz MODUHDZRDGIHOX-UHFFFAOYSA-N -1 0 340.379 3.641 20 0 EHADRM O=C([O-])N[C@@H](CCC(=O)Nc1ccc(F)c(F)c1)c1ccccc1 ZINC000740539635 602453903 /nfs/dbraw/zinc/45/39/03/602453903.db2.gz KREVLPJFOLBLHN-HNNXBMFYSA-N -1 0 334.322 3.692 20 0 EHADRM O=C([O-])NCC1(NC(=S)Nc2ccc3ccccc3c2)CCCC1 ZINC000740613300 602457993 /nfs/dbraw/zinc/45/79/93/602457993.db2.gz SRMAOEBRGDIXPB-UHFFFAOYSA-N -1 0 343.452 3.707 20 0 EHADRM CCN(Cc1ccccc1NC(=O)c1cccc2c1CCC2)C(=O)[O-] ZINC000739442863 602460061 /nfs/dbraw/zinc/46/00/61/602460061.db2.gz NIZBCDHYLLCCCN-UHFFFAOYSA-N -1 0 338.407 3.928 20 0 EHADRM CC[C@H](Sc1ccccc1)C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000739275739 602462193 /nfs/dbraw/zinc/46/21/93/602462193.db2.gz BEOWQJBQVFJJFX-ZDUSSCGKSA-N -1 0 331.397 3.681 20 0 EHADRM CC(C)[C@@H](C)N(C(=O)CC[C@H](NC(=O)[O-])c1ccccc1)C1CC1 ZINC000738763074 602463581 /nfs/dbraw/zinc/46/35/81/602463581.db2.gz AEKBCPOFTJGUKE-PBHICJAKSA-N -1 0 332.444 3.811 20 0 EHADRM CC(C)CCc1nc(CN2CCC([C@H](C)NC(=O)[O-])CC2)cs1 ZINC000738821828 602464024 /nfs/dbraw/zinc/46/40/24/602464024.db2.gz SQZLIALEUXVUOW-ZDUSSCGKSA-N -1 0 339.505 3.600 20 0 EHADRM Cc1ccc(NC(=O)N2CCC([C@H](C)NC(=O)[O-])CC2)c(Cl)c1 ZINC000740138788 602465220 /nfs/dbraw/zinc/46/52/20/602465220.db2.gz NMKZKOOHQCJEDN-NSHDSACASA-N -1 0 339.823 3.548 20 0 EHADRM CC(C)C[C@H]1CCCN1C(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000738818989 602467350 /nfs/dbraw/zinc/46/73/50/602467350.db2.gz DJCGSQJEHRKKJD-SJORKVTESA-N -1 0 332.444 3.813 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2nc3c(s2)CCCCC3)ccc1F ZINC000740699162 602482861 /nfs/dbraw/zinc/48/28/61/602482861.db2.gz RQHGNYBSRMMLIX-UHFFFAOYSA-N -1 0 349.387 3.893 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2ccc3ncccc3c2)ccc1F ZINC000740697173 602485194 /nfs/dbraw/zinc/48/51/94/602485194.db2.gz GKAMUFOIOTZZRS-UHFFFAOYSA-N -1 0 325.299 3.716 20 0 EHADRM C[C@@H](C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2)c1ccccc1F ZINC000738633053 602487021 /nfs/dbraw/zinc/48/70/21/602487021.db2.gz VMEVHNBENZRYHU-GFCCVEGCSA-N -1 0 342.370 3.604 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)ccc1F ZINC000740692937 602487079 /nfs/dbraw/zinc/48/70/79/602487079.db2.gz LCPSOYJRZLCYKL-KCXRBIIJSA-N -1 0 332.375 3.566 20 0 EHADRM O=C([O-])Nc1cc(C(=O)Nc2ccc3scnc3c2)ccc1F ZINC000740698079 602487406 /nfs/dbraw/zinc/48/74/06/602487406.db2.gz LLVGIYVDVJDTLP-UHFFFAOYSA-N -1 0 331.328 3.778 20 0 EHADRM Cc1ccc(-c2cc(C(=O)Nc3ccc(NC(=O)[O-])cc3)on2)cc1 ZINC000740094283 602503070 /nfs/dbraw/zinc/50/30/70/602503070.db2.gz GJCYQPXZNFZPAX-UHFFFAOYSA-N -1 0 337.335 3.992 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)c2cc(-c3ccccc3F)on2)cc1 ZINC000740712323 602503246 /nfs/dbraw/zinc/50/32/46/602503246.db2.gz NNXJIBIMQQAWDH-UHFFFAOYSA-N -1 0 341.298 3.823 20 0 EHADRM Cc1nn(-c2ccccc2)cc1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738374287 602505003 /nfs/dbraw/zinc/50/50/03/602505003.db2.gz KHSYQGXRJGHBHP-UHFFFAOYSA-N -1 0 336.351 3.523 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)CCc3cccs3)ccc21 ZINC000740361042 602507128 /nfs/dbraw/zinc/50/71/28/602507128.db2.gz UEHSVECYVLTVHH-UHFFFAOYSA-N -1 0 330.409 3.750 20 0 EHADRM CCCCS[C@H](C)C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739341921 602509367 /nfs/dbraw/zinc/50/93/67/602509367.db2.gz PHMZLZQBWFYJDH-GFCCVEGCSA-N -1 0 336.457 3.978 20 0 EHADRM CC[C@@H](Sc1ccccc1)C(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000739279025 602516984 /nfs/dbraw/zinc/51/69/84/602516984.db2.gz PVIQVYYYPRALQF-MRXNPFEDSA-N -1 0 344.436 3.964 20 0 EHADRM C[C@@H](NC(=O)[O-])C(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000738994572 602538051 /nfs/dbraw/zinc/53/80/51/602538051.db2.gz MJWFTCROGJOFJW-LLVKDONJSA-N -1 0 348.786 3.514 20 0 EHADRM CC(C)CCc1ccccc1NC(=O)N1CCC(N(C)C(=O)[O-])CC1 ZINC000737623239 602559896 /nfs/dbraw/zinc/55/98/96/602559896.db2.gz NGDCYWKHSKJVJC-UHFFFAOYSA-N -1 0 347.459 3.881 20 0 EHADRM CC[C@](C)(NC(=O)Cc1ccc(NC(=O)[O-])cc1)c1ccccc1 ZINC000739217065 602568499 /nfs/dbraw/zinc/56/84/99/602568499.db2.gz BVDDTIZSRDAYOP-IBGZPJMESA-N -1 0 326.396 3.761 20 0 EHADRM CCCCc1ccc(NC(=O)N2CCC[C@H](CNC(=O)[O-])C2)cc1 ZINC000739343682 602579736 /nfs/dbraw/zinc/57/97/36/602579736.db2.gz YKMYBNQMIVYXIJ-OAHLLOKOSA-N -1 0 333.432 3.541 20 0 EHADRM Cc1ccc(NC(=O)N2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)cc1C ZINC000740140487 602579970 /nfs/dbraw/zinc/57/99/70/602579970.db2.gz BXKXICVCSVWGNC-WBVHZDCISA-N -1 0 345.443 3.690 20 0 EHADRM CC(C)CCc1ccccc1NC(=O)N1CCC(NC(=O)[O-])CC1 ZINC000738819798 602593537 /nfs/dbraw/zinc/59/35/37/602593537.db2.gz IVPHSBUWKIFPFR-UHFFFAOYSA-N -1 0 333.432 3.539 20 0 EHADRM COc1cccc([C@@H](C)NC(=O)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000739945227 602600881 /nfs/dbraw/zinc/60/08/81/602600881.db2.gz IVHTTZQUDIHQSW-LLVKDONJSA-N -1 0 329.356 3.668 20 0 EHADRM CN(Cc1ccc(F)cc1F)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000739708691 602601612 /nfs/dbraw/zinc/60/16/12/602601612.db2.gz ADUBFTFGBDAOOF-UHFFFAOYSA-N -1 0 335.310 3.719 20 0 EHADRM C[C@@H]1C[C@@H](C)CN(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])C1 ZINC000739077326 602606711 /nfs/dbraw/zinc/60/67/11/602606711.db2.gz FVSLBIPPPGTSQW-CHWSQXEVSA-N -1 0 331.416 3.627 20 0 EHADRM C[C@H](NC(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-])c1ccccc1 ZINC000738992045 602606844 /nfs/dbraw/zinc/60/68/44/602606844.db2.gz WHQQDZBHVOCEGY-ZDUSSCGKSA-N -1 0 339.395 4.000 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)N3CCC[C@@H]3C3CCC3)ccc21 ZINC000740523184 602608102 /nfs/dbraw/zinc/60/81/02/602608102.db2.gz FVBXFVYVLJYJBM-MRXNPFEDSA-N -1 0 343.427 3.914 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000740715734 602626030 /nfs/dbraw/zinc/62/60/30/602626030.db2.gz OAAMKDDGQVJPLB-UHFFFAOYSA-N -1 0 346.293 3.843 20 0 EHADRM CCC(CC)CN(CC)C(=O)c1cccn1C1CCN(C(=O)[O-])CC1 ZINC000739251886 602641390 /nfs/dbraw/zinc/64/13/90/602641390.db2.gz GTXOZYADBDHXHJ-UHFFFAOYSA-N -1 0 349.475 3.701 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc(NC(=O)[O-])cc2C(F)(F)F)o1 ZINC000740106663 602643448 /nfs/dbraw/zinc/64/34/48/602643448.db2.gz GLNUHBNIOZUCSW-UHFFFAOYSA-N -1 0 328.246 3.949 20 0 EHADRM CCc1ccc(-c2csc(CN3CCC(NC(=O)[O-])CC3)n2)cc1 ZINC000739541955 602650321 /nfs/dbraw/zinc/65/03/21/602650321.db2.gz HKAVYZYXJFFGSC-UHFFFAOYSA-N -1 0 345.468 3.605 20 0 EHADRM CC[C@H](Cc1ccccc1)C(=O)Nc1ccc(OC)c(NC(=O)[O-])c1 ZINC000739259748 602698560 /nfs/dbraw/zinc/69/85/60/602698560.db2.gz NAZLFORQDVWWEE-CQSZACIVSA-N -1 0 342.395 3.993 20 0 EHADRM CC(C)CC(CC(C)C)NC(=O)N1CCC([C@@H](C)NC(=O)[O-])CC1 ZINC000738802313 602714069 /nfs/dbraw/zinc/71/40/69/602714069.db2.gz CRFVMZRJGHQPJL-CQSZACIVSA-N -1 0 341.496 3.525 20 0 EHADRM C[C@@H](CCC1CCCCC1)OC(=O)c1csc(CNC(=O)[O-])n1 ZINC000738896752 602728438 /nfs/dbraw/zinc/72/84/38/602728438.db2.gz PPSIVJUFVKNSHU-NSHDSACASA-N -1 0 340.445 3.817 20 0 EHADRM O=C([O-])NCc1cccc(OC(=O)CCSc2ccccc2)c1 ZINC000740680477 602730100 /nfs/dbraw/zinc/73/01/00/602730100.db2.gz SGRRBNLRIHRNMO-UHFFFAOYSA-N -1 0 331.393 3.542 20 0 EHADRM CCN(C(=O)C[C@@H](C)NC(=O)[O-])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000826969703 602762919 /nfs/dbraw/zinc/76/29/19/602762919.db2.gz IOEZMWHHFRRNGZ-MNOVXSKESA-N -1 0 346.349 3.661 20 0 EHADRM C[C@H](Oc1ccccc1NC(=O)CCCNC(=O)[O-])c1ccccc1 ZINC000736708706 602767518 /nfs/dbraw/zinc/76/75/18/602767518.db2.gz LCLHZAQXQHNCCE-AWEZNQCLSA-N -1 0 342.395 3.813 20 0 EHADRM CC(C)(CCC(=O)N1CCSc2ccc(Cl)cc21)NC(=O)[O-] ZINC000738741960 602789855 /nfs/dbraw/zinc/78/98/55/602789855.db2.gz GVNVNZKSJHHBRE-UHFFFAOYSA-N -1 0 342.848 3.605 20 0 EHADRM Cc1ccc(C(=O)N[C@H]2CCCOc3ccccc32)cc1NC(=O)[O-] ZINC000830206259 602791939 /nfs/dbraw/zinc/79/19/39/602791939.db2.gz YRFLJNCIAHUYQN-HNNXBMFYSA-N -1 0 340.379 3.729 20 0 EHADRM O=C([O-])Nc1ccccc1NC(=O)Cc1csc(-c2ccoc2)n1 ZINC000740716618 602793007 /nfs/dbraw/zinc/79/30/07/602793007.db2.gz XECDLMPHGXKRKA-UHFFFAOYSA-N -1 0 343.364 3.674 20 0 EHADRM Cc1c(Br)cccc1NC(=O)CCC(C)(C)NC(=O)[O-] ZINC000740029340 602801872 /nfs/dbraw/zinc/80/18/72/602801872.db2.gz AOJFBYAKEPJZQY-UHFFFAOYSA-N -1 0 343.221 3.522 20 0 EHADRM Cc1cc2cc(C(=O)N[C@@H](C)[C@H]3CCCN(C(=O)[O-])C3)oc2cc1C ZINC000830143600 602801921 /nfs/dbraw/zinc/80/19/21/602801921.db2.gz KDVDYDMITZRTNX-KBPBESRZSA-N -1 0 344.411 3.558 20 0 EHADRM Cc1ccc(C(=O)NCc2ccc(F)c(Cl)c2)cc1NC(=O)[O-] ZINC000830220341 602811092 /nfs/dbraw/zinc/81/10/92/602811092.db2.gz RYUAXVOSSWUJBA-UHFFFAOYSA-N -1 0 336.750 3.807 20 0 EHADRM C[C@H](NC(=O)[O-])[C@H]1CCCCN1C(=O)CC/C=C/c1ccccc1 ZINC000739000621 602811517 /nfs/dbraw/zinc/81/15/17/602811517.db2.gz ZUGAXPARIZWZBW-NVTLJXFVSA-N -1 0 330.428 3.517 20 0 EHADRM O=C([O-])N1CCCC[C@@H](Nc2nc(C(F)F)nc3ccccc32)C1 ZINC000740520614 602814866 /nfs/dbraw/zinc/81/48/66/602814866.db2.gz SOIILWWGPWITBF-SNVBAGLBSA-N -1 0 336.342 3.512 20 0 EHADRM C[C@@H](CC(=O)NCc1ccccc1-c1ccc(Cl)cc1)NC(=O)[O-] ZINC000824666112 602818634 /nfs/dbraw/zinc/81/86/34/602818634.db2.gz ZCSYXWKGYFKCDM-LBPRGKRZSA-N -1 0 346.814 3.669 20 0 EHADRM CC(C)c1nc2cc(NC(=O)CCC(C)(C)NC(=O)[O-])ccc2o1 ZINC000738881787 602822115 /nfs/dbraw/zinc/82/21/15/602822115.db2.gz YILBOFODOGFMTN-UHFFFAOYSA-N -1 0 333.388 3.716 20 0 EHADRM CCN(Cc1cccc(NC(=O)[C@@H](C)c2ccsc2)c1)C(=O)[O-] ZINC000739442958 602823122 /nfs/dbraw/zinc/82/31/22/602823122.db2.gz WRJBFLNECHZPJB-LBPRGKRZSA-N -1 0 332.425 3.990 20 0 EHADRM Cc1ccc(C(=O)Nc2nc(-c3ccc[nH]3)cs2)cc1NC(=O)[O-] ZINC000830233637 602825177 /nfs/dbraw/zinc/82/51/77/602825177.db2.gz DCFKDPDMOXNIOS-UHFFFAOYSA-N -1 0 342.380 3.789 20 0 EHADRM Cc1cc2cc(NC(=O)c3ccc(NC(=O)[O-])cc3O)ccc2[nH]1 ZINC000740094698 602847371 /nfs/dbraw/zinc/84/73/71/602847371.db2.gz JLPXHLSJBSXZGS-UHFFFAOYSA-N -1 0 325.324 3.524 20 0 EHADRM COc1ccccc1[C@@H](NC(=O)[O-])C(=O)Nc1cc(Cl)ccc1C ZINC000739966214 602884384 /nfs/dbraw/zinc/88/43/84/602884384.db2.gz AYSXMYOOYISFFU-OAHLLOKOSA-N -1 0 348.786 3.604 20 0 EHADRM CC[C@@H](c1ccncc1)N(C)C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739262812 602901561 /nfs/dbraw/zinc/90/15/61/602901561.db2.gz FYZBDUXAQMLQLN-HNNXBMFYSA-N -1 0 346.362 3.926 20 0 EHADRM Cc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C)cc1NC(=O)[O-] ZINC000830231173 602903440 /nfs/dbraw/zinc/90/34/40/602903440.db2.gz ZVZUTIAIAOIYHH-UHFFFAOYSA-N -1 0 339.395 3.720 20 0 EHADRM CC[C@H]1CCC[C@H](NC(=O)Nc2ccccc2CN(C)C(=O)[O-])C1 ZINC000739264967 602925738 /nfs/dbraw/zinc/92/57/38/602925738.db2.gz HFPNVYWKMCXRCD-ZFWWWQNUSA-N -1 0 333.432 3.887 20 0 EHADRM CC(C)(CCc1nc(-c2cccc3ccccc32)no1)NC(=O)[O-] ZINC000738745623 602929495 /nfs/dbraw/zinc/92/94/95/602929495.db2.gz BZVHKWWFUKTYHG-UHFFFAOYSA-N -1 0 325.368 3.869 20 0 EHADRM CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)C[C@H](C)NC(=O)[O-] ZINC000824552587 602930543 /nfs/dbraw/zinc/93/05/43/602930543.db2.gz RIWPJBGAKNKYOH-XHDPSFHLSA-N -1 0 326.824 3.542 20 0 EHADRM CC(C)(CC(=O)Nc1cccc(C2SCCS2)c1)NC(=O)[O-] ZINC000738734895 602940081 /nfs/dbraw/zinc/94/00/81/602940081.db2.gz KQJNFZMOVRRYOB-UHFFFAOYSA-N -1 0 340.470 3.540 20 0 EHADRM C[C@@H](c1ccc(Cl)cc1)N(C(=O)CC(C)(C)NC(=O)[O-])C1CC1 ZINC000739053553 602950012 /nfs/dbraw/zinc/95/00/12/602950012.db2.gz LVDVBYLSDRHEJL-NSHDSACASA-N -1 0 338.835 3.828 20 0 EHADRM O=C([O-])NC1(c2noc([C@@H]3C[C@H]3c3c(F)cccc3F)n2)CCCC1 ZINC000740547805 602950791 /nfs/dbraw/zinc/95/07/91/602950791.db2.gz DIXDZSVUKQAVCT-NXEZZACHSA-N -1 0 349.337 3.656 20 0 EHADRM CC(=O)Nc1ccc(NC(=O)Nc2ccc(NC(=O)[O-])cc2)cc1C ZINC000736160457 602951851 /nfs/dbraw/zinc/95/18/51/602951851.db2.gz YJXXKLQMKRWKBG-UHFFFAOYSA-N -1 0 342.355 3.687 20 0 EHADRM Cc1[nH]c(-c2ccccc2)nc1C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000738149671 602958867 /nfs/dbraw/zinc/95/88/67/602958867.db2.gz WVGFOZFZANGPGR-UHFFFAOYSA-N -1 0 337.335 3.694 20 0 EHADRM CCc1c(C(=O)Oc2ccc(NC(=O)[O-])cc2)cnn1C(C)(C)C ZINC000737892114 602964720 /nfs/dbraw/zinc/96/47/20/602964720.db2.gz RCKQVHSVZZLNNA-UHFFFAOYSA-N -1 0 331.372 3.510 20 0 EHADRM Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)C[C@H](C)NC(=O)[O-] ZINC000830615554 602968761 /nfs/dbraw/zinc/96/87/61/602968761.db2.gz BCODUJLUORMCOR-DZGCQCFKSA-N -1 0 346.452 3.503 20 0 EHADRM CSc1ccc(O[C@H](C)c2nc(C3(NC(=O)[O-])CCC3)no2)cc1 ZINC000740020609 602972862 /nfs/dbraw/zinc/97/28/62/602972862.db2.gz RHVYLVASRKMQSL-SNVBAGLBSA-N -1 0 349.412 3.578 20 0 EHADRM CC[C@H]1CCCN(C(=O)Nc2ccc(NC(=O)[O-])c(OC)c2)CC1 ZINC000739268103 602997239 /nfs/dbraw/zinc/99/72/39/602997239.db2.gz LUDCHZVVMHZXGN-LBPRGKRZSA-N -1 0 335.404 3.829 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)C[C@H]2CCOc3ccccc32)c1 ZINC000740704773 603007122 /nfs/dbraw/zinc/00/71/22/603007122.db2.gz DZRSUPUQGLBRHU-LLVKDONJSA-N -1 0 344.342 3.811 20 0 EHADRM CC(C)(CC(=O)Nc1ccc(COC2CCCC2)cc1)NC(=O)[O-] ZINC000738734515 603008896 /nfs/dbraw/zinc/00/88/96/603008896.db2.gz JKUMYXPTNZJNMF-UHFFFAOYSA-N -1 0 334.416 3.521 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc(/C=C\c2nc3ccccc3s2)n1 ZINC000738912453 603017602 /nfs/dbraw/zinc/01/76/02/603017602.db2.gz YXMIECNKULRFHH-GQYWMQPJSA-N -1 0 344.396 3.563 20 0 EHADRM CC[C@@H](CC(=O)NC[C@H](NC(=O)[O-])c1ccccc1)c1ccccc1 ZINC000739247889 603021839 /nfs/dbraw/zinc/02/18/39/603021839.db2.gz ACIOMIHIKGHMGB-YJBOKZPZSA-N -1 0 340.423 3.695 20 0 EHADRM CCN(Cc1cccc(NC(=O)c2cc(C(C)C)no2)c1)C(=O)[O-] ZINC000739446728 603027225 /nfs/dbraw/zinc/02/72/25/603027225.db2.gz NCNRHBGNSAHMLD-UHFFFAOYSA-N -1 0 331.372 3.550 20 0 EHADRM C[C@H]1Cc2ccccc2[C@H]1NC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000739195631 603032376 /nfs/dbraw/zinc/03/23/76/603032376.db2.gz BWPQUMZSSYQJTG-QFYYESIMSA-N -1 0 343.358 3.971 20 0 EHADRM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CC(C)(C)NC(=O)[O-] ZINC000739266241 603033392 /nfs/dbraw/zinc/03/33/92/603033392.db2.gz UNIXVGIWOUVILJ-HZPDHXFCSA-N -1 0 332.444 3.608 20 0 EHADRM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)CCC(C)(C)NC(=O)[O-])C1 ZINC000739080071 603038876 /nfs/dbraw/zinc/03/88/76/603038876.db2.gz BHGHWNRDMJLSPX-SWLSCSKDSA-N -1 0 336.407 3.562 20 0 EHADRM O=C([O-])Nc1ccc(F)c(NC(=O)NCc2ccc(F)cc2F)c1 ZINC000740706076 603039992 /nfs/dbraw/zinc/03/99/92/603039992.db2.gz XKARYFYUJLWLTN-UHFFFAOYSA-N -1 0 339.273 3.516 20 0 EHADRM Cc1ccc2cccc(C(=O)Oc3ccc(N(C)C(=O)[O-])cc3)c2n1 ZINC000830453605 603045013 /nfs/dbraw/zinc/04/50/13/603045013.db2.gz LFSNXLBYTZDMIM-UHFFFAOYSA-N -1 0 336.347 3.877 20 0 EHADRM COc1cc(NC(=O)[C@@H]2CSc3ccccc32)ccc1NC(=O)[O-] ZINC000739864386 603053525 /nfs/dbraw/zinc/05/35/25/603053525.db2.gz BTLMIXQDGSAQHZ-GFCCVEGCSA-N -1 0 344.392 3.613 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)NC2(C(F)(F)F)CCCCC2)c1 ZINC000740028629 603055987 /nfs/dbraw/zinc/05/59/87/603055987.db2.gz FKIHRUXGEIKQIL-UHFFFAOYSA-N -1 0 330.306 3.772 20 0 EHADRM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)CCC(C)(C)NC(=O)[O-])C1 ZINC000825853138 603061219 /nfs/dbraw/zinc/06/12/19/603061219.db2.gz UINNDUMRXCHGTK-DOMZBBRYSA-N -1 0 336.407 3.562 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N2CCC(C3CCCC3)CC2)ccc1F ZINC000832818043 603068586 /nfs/dbraw/zinc/06/85/86/603068586.db2.gz ROWDLVCXVATFRK-UHFFFAOYSA-N -1 0 334.391 3.958 20 0 EHADRM CC[C@H](CC(=O)NC1CCC(NC(=O)[O-])CC1)c1ccc(C)cc1 ZINC000739250354 603075514 /nfs/dbraw/zinc/07/55/14/603075514.db2.gz SFFPVOZIXFLZBU-ODIFPOPNSA-N -1 0 332.444 3.574 20 0 EHADRM O=C([O-])NC1(C(=O)Nc2cccc3ccccc32)Cc2ccccc2C1 ZINC000740543189 603075670 /nfs/dbraw/zinc/07/56/70/603075670.db2.gz QWQDDEMIRYDCBU-UHFFFAOYSA-N -1 0 346.386 3.584 20 0 EHADRM CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736355586 603100391 /nfs/dbraw/zinc/10/03/91/603100391.db2.gz OZGMGXUWLWJLHP-SNVBAGLBSA-N -1 0 332.322 3.826 20 0 EHADRM Cc1ccc(NC(=O)CNc2ccc([C@H](C)NC(=O)[O-])cc2)cc1C ZINC000740133883 603105714 /nfs/dbraw/zinc/10/57/14/603105714.db2.gz AGUOGUWHDIFUPK-AWEZNQCLSA-N -1 0 341.411 3.683 20 0 EHADRM Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc(NC(=O)[O-])cc1 ZINC000830489406 603157336 /nfs/dbraw/zinc/15/73/36/603157336.db2.gz WPLHEWIFDYCTTJ-CYBMUJFWSA-N -1 0 328.368 3.799 20 0 EHADRM Cc1sc(NC(=O)COc2ccc(N(C)C(=O)[O-])cc2)c(C)c1C ZINC000830956956 603161148 /nfs/dbraw/zinc/16/11/48/603161148.db2.gz KWYDPGCYROIVSV-UHFFFAOYSA-N -1 0 348.424 3.805 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)Nc2ccc(Cl)c3cccnc23)C1 ZINC000740577158 603163557 /nfs/dbraw/zinc/16/35/57/603163557.db2.gz VTNSJBKRPGFSPL-MNOVXSKESA-N -1 0 347.802 3.653 20 0 EHADRM O=C([O-])N[C@H]1CCC[C@@H](C(=O)Nc2ncc(-c3ccccc3)s2)C1 ZINC000740561410 603168421 /nfs/dbraw/zinc/16/84/21/603168421.db2.gz CNPCPLKAKMHZNK-OLZOCXBDSA-N -1 0 345.424 3.575 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)C3(c4ccccc4F)CC3)ccc21 ZINC000740529869 603174868 /nfs/dbraw/zinc/17/48/68/603174868.db2.gz NYVVCGSXUXUBCZ-UHFFFAOYSA-N -1 0 340.354 3.537 20 0 EHADRM CCCCS[C@H](C)C(=O)Nc1cccc2c1CCN(C(=O)[O-])C2 ZINC000739340809 603179414 /nfs/dbraw/zinc/17/94/14/603179414.db2.gz JKXJBRVLESTQGH-GFCCVEGCSA-N -1 0 336.457 3.583 20 0 EHADRM O=C([O-])N1CCc2c(cccc2NC(=O)c2ccc(Cl)s2)C1 ZINC000740473222 603179837 /nfs/dbraw/zinc/17/98/37/603179837.db2.gz BRFRMPGGIWXJKD-UHFFFAOYSA-N -1 0 336.800 3.690 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)/C=C\c2ccccc2F)cc1 ZINC000825416126 603180379 /nfs/dbraw/zinc/18/03/79/603180379.db2.gz JUKZZPRCKPUFLS-KGTBHZDVSA-N -1 0 328.343 3.806 20 0 EHADRM C[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000825015563 603181949 /nfs/dbraw/zinc/18/19/49/603181949.db2.gz HFFIVJSNZZCCCD-CHWSQXEVSA-N -1 0 344.386 3.972 20 0 EHADRM C[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000825022336 603190835 /nfs/dbraw/zinc/19/08/35/603190835.db2.gz DQEDXACGRXZRHY-OLZOCXBDSA-N -1 0 344.386 3.972 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)cc1 ZINC000738664452 603196228 /nfs/dbraw/zinc/19/62/28/603196228.db2.gz OVPZJYVKLFRFJR-OCCSQVGLSA-N -1 0 332.306 3.797 20 0 EHADRM CC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000738602439 603200984 /nfs/dbraw/zinc/20/09/84/603200984.db2.gz RTABGAAAOHMMPP-UHFFFAOYSA-N -1 0 332.743 3.885 20 0 EHADRM Cc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)o1 ZINC000740117762 603211624 /nfs/dbraw/zinc/21/16/24/603211624.db2.gz KELHIDFZONRMJM-XHSDSOJGSA-N -1 0 348.443 3.858 20 0 EHADRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000829173818 603213739 /nfs/dbraw/zinc/21/37/39/603213739.db2.gz MTRMRJHHCOYRAD-AOOOYVTPSA-N -1 0 340.807 3.557 20 0 EHADRM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CC(C)(C)NC(=O)[O-])o1 ZINC000827583750 603232277 /nfs/dbraw/zinc/23/22/77/603232277.db2.gz LFZQWADHIUNYBS-GXTWGEPZSA-N -1 0 336.432 3.578 20 0 EHADRM C[C@H](c1ccncc1)N(C)C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000739060989 603233018 /nfs/dbraw/zinc/23/30/18/603233018.db2.gz REOCGJCPTSNEFG-SNVBAGLBSA-N -1 0 333.775 3.658 20 0 EHADRM Cc1cccc(CCNC(=O)c2ccc(NC(=O)[O-])cc2Cl)c1 ZINC000740171496 603235642 /nfs/dbraw/zinc/23/56/42/603235642.db2.gz UOVQMIJUIBSCAM-UHFFFAOYSA-N -1 0 332.787 3.711 20 0 EHADRM COc1ccc(NC(=S)Nc2ccc([C@H](C)NC(=O)[O-])cc2)cc1 ZINC000829474468 603240743 /nfs/dbraw/zinc/24/07/43/603240743.db2.gz JJRFXLJWPNEJFM-NSHDSACASA-N -1 0 345.424 3.833 20 0 EHADRM COc1cccc(NC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)c1 ZINC000829571592 603243182 /nfs/dbraw/zinc/24/31/82/603243182.db2.gz PLFHCSUCLYBOGI-LLVKDONJSA-N -1 0 329.356 3.668 20 0 EHADRM Cc1cc(C)c(NC(=O)NC[C@@H](NC(=O)[O-])c2ccccc2)c(C)c1 ZINC000829991200 603245539 /nfs/dbraw/zinc/24/55/39/603245539.db2.gz PKAHGTUUZBNOQU-MRXNPFEDSA-N -1 0 341.411 3.742 20 0 EHADRM CC(C)c1ccccc1NC(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[O-] ZINC000824477017 603248965 /nfs/dbraw/zinc/24/89/65/603248965.db2.gz YRWISZITGSPAHC-UKRRQHHQSA-N -1 0 333.432 3.758 20 0 EHADRM Cc1nc(-c2ccc(NC(=O)C[C@@H]3CCCN3C(=O)[O-])cc2)cs1 ZINC000830687684 603250374 /nfs/dbraw/zinc/25/03/74/603250374.db2.gz VVNASJLUOPFHIA-AWEZNQCLSA-N -1 0 345.424 3.590 20 0 EHADRM O=C([O-])NCc1ccc(C(=O)Oc2cc(Cl)ccc2Cl)o1 ZINC000832714498 603254389 /nfs/dbraw/zinc/25/43/89/603254389.db2.gz DWIUZOYCLUHHQT-UHFFFAOYSA-N -1 0 330.123 3.573 20 0 EHADRM O=C([O-])N1CCC[C@H]1CC(=O)Nc1ccccc1N1CCCCCC1 ZINC000831345481 603283472 /nfs/dbraw/zinc/28/34/72/603283472.db2.gz HAJPLZPBSPKSJA-HNNXBMFYSA-N -1 0 345.443 3.538 20 0 EHADRM CC(C)C[C@H]1CCCN1C(=O)Nc1cccc2c1CCN(C(=O)[O-])C2 ZINC000738825517 603293048 /nfs/dbraw/zinc/29/30/48/603293048.db2.gz XDDMQQVRFZDIGT-OAHLLOKOSA-N -1 0 345.443 3.765 20 0 EHADRM O=C([O-])Nc1cc(C(=O)N[C@H](Cc2ccccc2)C2CC2)ccc1F ZINC000740696070 603293881 /nfs/dbraw/zinc/29/38/81/603293881.db2.gz MZINFTUPZQNDEG-MRXNPFEDSA-N -1 0 342.370 3.667 20 0 EHADRM C[C@H](C1CC1)N(C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])C1CC1 ZINC000824544761 603300611 /nfs/dbraw/zinc/30/06/11/603300611.db2.gz SLFZWUVAIPLPEF-LLVKDONJSA-N -1 0 329.400 3.522 20 0 EHADRM CCN(CC(C)C)C(=O)c1cc(Cl)c(NC(=O)[O-])cc1OC ZINC000827020293 603308420 /nfs/dbraw/zinc/30/84/20/603308420.db2.gz QJROXHUBZYEXPH-UHFFFAOYSA-N -1 0 328.796 3.557 20 0 EHADRM O=C([O-])N1CCCc2cc(NC(=O)NCCCC(F)(F)F)ccc21 ZINC000831665790 603313492 /nfs/dbraw/zinc/31/34/92/603313492.db2.gz PBAHUQIOVGEYCS-UHFFFAOYSA-N -1 0 345.321 3.581 20 0 EHADRM C[C@H](C1CC1)N(C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2)C1CC1 ZINC000824543272 603321307 /nfs/dbraw/zinc/32/13/07/603321307.db2.gz GZYHRJHRULXOMY-GFCCVEGCSA-N -1 0 343.427 3.518 20 0 EHADRM C[C@@H](C1CC1)N(C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2)C1CC1 ZINC000824543273 603321422 /nfs/dbraw/zinc/32/14/22/603321422.db2.gz GZYHRJHRULXOMY-LBPRGKRZSA-N -1 0 343.427 3.518 20 0 EHADRM CC1CCC(C)(NC(=O)Nc2ccccc2CN(C)C(=O)[O-])CC1 ZINC000739093101 603333479 /nfs/dbraw/zinc/33/34/79/603333479.db2.gz VNPVUPWUDJAWAL-UHFFFAOYSA-N -1 0 333.432 3.887 20 0 EHADRM CN(Cc1cccc(NC(=O)N2CCC3(CCCC3)C2)c1)C(=O)[O-] ZINC000828375323 603340204 /nfs/dbraw/zinc/34/02/04/603340204.db2.gz CPBAZKPFPRCAPI-UHFFFAOYSA-N -1 0 331.416 3.594 20 0 EHADRM C[C@H]1CCCC[C@H]1N(C)C(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000739097392 603342059 /nfs/dbraw/zinc/34/20/59/603342059.db2.gz GOWCYIHYTZJJIN-XJKSGUPXSA-N -1 0 333.432 3.839 20 0 EHADRM CCN(Cc1cccc(NC(=O)N2CCC[C@H](C)CC2)c1)C(=O)[O-] ZINC000739441861 603344012 /nfs/dbraw/zinc/34/40/12/603344012.db2.gz JWBWATBDBBBWCV-AWEZNQCLSA-N -1 0 333.432 3.840 20 0 EHADRM CC[C@H]1CCCN(C(=O)Nc2ccccc2CN(CC)C(=O)[O-])C1 ZINC000739265205 603350653 /nfs/dbraw/zinc/35/06/53/603350653.db2.gz BNMOUEKNANYXFQ-AWEZNQCLSA-N -1 0 333.432 3.840 20 0 EHADRM CCN(Cc1ccccc1)C(=O)Nc1cccc(CN(C)C(=O)[O-])c1 ZINC000739442613 603360287 /nfs/dbraw/zinc/36/02/87/603360287.db2.gz GBKRDRVBOQTKMH-UHFFFAOYSA-N -1 0 341.411 3.850 20 0 EHADRM CCC1(C)CCN(C(=O)Nc2cccc(CN(C)C(=O)[O-])c2)CC1 ZINC000739264904 603361548 /nfs/dbraw/zinc/36/15/48/603361548.db2.gz MLNRHOCEZSLJGI-UHFFFAOYSA-N -1 0 333.432 3.840 20 0 EHADRM Cc1ccc(C(=O)NCc2ccc([C@H]3C[C@@H]3C)o2)cc1NC(=O)[O-] ZINC000830220008 603363805 /nfs/dbraw/zinc/36/38/05/603363805.db2.gz MECIYZOLTDUOFS-FZMZJTMJSA-N -1 0 328.368 3.731 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)N([C@@H](C)C2CC2)C2CC2)cc1 ZINC000825423594 603380160 /nfs/dbraw/zinc/38/01/60/603380160.db2.gz SGSSCEJXQXLQRZ-RYUDHWBXSA-N -1 0 331.416 3.810 20 0 EHADRM CCN(CCC(F)(F)F)C(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000827111450 603386977 /nfs/dbraw/zinc/38/69/77/603386977.db2.gz NSZYJFDCMJGSJL-SNVBAGLBSA-N -1 0 347.337 3.821 20 0 EHADRM CCc1ccccc1CNC(=O)Nc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000827598877 603389079 /nfs/dbraw/zinc/38/90/79/603389079.db2.gz ABXCSTFHHQPQNL-CYBMUJFWSA-N -1 0 341.411 3.899 20 0 EHADRM C[C@H](CC(=O)N([C@@H](C)c1ccc2ccccc2c1)C1CC1)NC(=O)[O-] ZINC000824557587 603400780 /nfs/dbraw/zinc/40/07/80/603400780.db2.gz HTSOSKXVDXWTAE-KGLIPLIRSA-N -1 0 340.423 3.938 20 0 EHADRM C[C@@H](C(=O)Nc1ccccc1CN(C)C(=O)[O-])c1cccc(F)c1 ZINC000738635837 603403342 /nfs/dbraw/zinc/40/33/42/603403342.db2.gz BMXZUXMEIAEDJW-GFCCVEGCSA-N -1 0 330.359 3.678 20 0 EHADRM C[C@H](c1nc(-c2ccc(F)cc2)no1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000825644562 603406623 /nfs/dbraw/zinc/40/66/23/603406623.db2.gz GVNLBHWSQRTFNO-NHYWBVRUSA-N -1 0 341.342 3.988 20 0 EHADRM O=C([O-])NC[C@H](c1nc(-c2cccc(Cl)c2)no1)c1ccccc1 ZINC000832433439 603408541 /nfs/dbraw/zinc/40/85/41/603408541.db2.gz PDFUFMLNUMGOKM-AWEZNQCLSA-N -1 0 343.770 3.790 20 0 EHADRM C[C@@H](c1nc(-c2ccc(O)cc2)no1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000825645665 603409252 /nfs/dbraw/zinc/40/92/52/603409252.db2.gz SWGVQDXAJRMZNK-IAQYHMDHSA-N -1 0 339.351 3.555 20 0 EHADRM O=C([O-])N1CCc2cc(NC(=O)c3cc4cccc(F)c4o3)ccc21 ZINC000740471642 603410381 /nfs/dbraw/zinc/41/03/81/603410381.db2.gz YGPRBUFIZPYGLZ-UHFFFAOYSA-N -1 0 340.310 3.865 20 0 EHADRM O=C([O-])N[C@@H]1CCC[C@@H](c2nc(CCCc3ccccc3)no2)C1 ZINC000832341434 603418156 /nfs/dbraw/zinc/41/81/56/603418156.db2.gz TUDNJGQXUXUSJO-HUUCEWRRSA-N -1 0 329.400 3.539 20 0 EHADRM C[C@@H](CN(C)C(=O)[O-])c1noc(-c2cccc(-c3cscn3)c2)n1 ZINC000824902186 603420335 /nfs/dbraw/zinc/42/03/35/603420335.db2.gz KUIUNRMCWILSLM-JTQLQIEISA-N -1 0 344.396 3.573 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc([C@@H]2C[C@]23CCCc2ccccc23)n1 ZINC000824901275 603421895 /nfs/dbraw/zinc/42/18/95/603421895.db2.gz GHNOTSIPEMDKFZ-YFROIQMUSA-N -1 0 341.411 3.545 20 0 EHADRM C[C@@H]1CCCC[C@H]1OCC(=O)N1CCCN(C(=O)[O-])c2ccccc21 ZINC000739103367 603429907 /nfs/dbraw/zinc/42/99/07/603429907.db2.gz ZPNZXOWKZAZZRM-RHSMWYFYSA-N -1 0 346.427 3.503 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000739258322 603434774 /nfs/dbraw/zinc/43/47/74/603434774.db2.gz CWYGECCFGJYERG-SFHVURJKSA-N -1 0 340.423 3.548 20 0 EHADRM Cc1ccccc1[C@H](C)CC(=O)N(C)C1CCC(NC(=O)[O-])CC1 ZINC000830554295 603475348 /nfs/dbraw/zinc/47/53/48/603475348.db2.gz LYMSRKAYARAVEB-QQFBHYJXSA-N -1 0 332.444 3.526 20 0 EHADRM CCO[C@@H](C)c1ncc(C(=O)Oc2cccc(NC(=O)[O-])c2)s1 ZINC000827360988 603477896 /nfs/dbraw/zinc/47/78/96/603477896.db2.gz CLFDMDXCPCBKRI-VIFPVBQESA-N -1 0 336.369 3.550 20 0 EHADRM Cc1csc(N(C(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)c2ccccc2)n1 ZINC000830666228 603527381 /nfs/dbraw/zinc/52/73/81/603527381.db2.gz CVPLSTGHSZGPOC-OLZOCXBDSA-N -1 0 345.424 3.553 20 0 EHADRM CCN(C(=O)c1cc(Cl)c(NC(=O)[O-])cc1OC)c1cccnc1 ZINC000826979051 603535380 /nfs/dbraw/zinc/53/53/80/603535380.db2.gz AQHJJBVZCBVIFK-UHFFFAOYSA-N -1 0 349.774 3.500 20 0 EHADRM CC(C)[C@@H](CNC(=O)Nc1ccc(NC(=O)[O-])cc1)c1cccnc1 ZINC000824121927 603584699 /nfs/dbraw/zinc/58/46/99/603584699.db2.gz BJLCYVUUVXKMHE-MRXNPFEDSA-N -1 0 342.399 3.733 20 0 EHADRM COc1cc(NC(=O)N2CC[C@H](CC(C)C)C2)ccc1NC(=O)[O-] ZINC000829159088 603586074 /nfs/dbraw/zinc/58/60/74/603586074.db2.gz NJCPAEYSSOHKPN-GFCCVEGCSA-N -1 0 335.404 3.685 20 0 EHADRM CCOc1ccccc1NC(=O)COc1cc(C)ccc1NC(=O)[O-] ZINC000827460615 603636906 /nfs/dbraw/zinc/63/69/06/603636906.db2.gz WRZFPMQKHOBMBV-UHFFFAOYSA-N -1 0 344.367 3.501 20 0 EHADRM O=C([O-])NCC1(C(=O)Nc2cccc(-c3nccs3)c2)CCCC1 ZINC000832443038 603638632 /nfs/dbraw/zinc/63/86/32/603638632.db2.gz LOWPZDHXCQXFGL-UHFFFAOYSA-N -1 0 345.424 3.577 20 0 EHADRM CC(C)CC1(C(=O)N2CCC(N(CC3CC3)C(=O)[O-])CC2)CCC1 ZINC000824225639 603701277 /nfs/dbraw/zinc/70/12/77/603701277.db2.gz VBTYSPWLNXVGCP-UHFFFAOYSA-N -1 0 336.476 3.584 20 0 EHADRM C[C@@H]1CCCN1C(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000825930875 603805630 /nfs/dbraw/zinc/80/56/30/603805630.db2.gz CCRNIVHARCPFPY-MRVPVSSYSA-N -1 0 331.294 3.812 20 0 EHADRM CCCC[C@@H](CC)CNC(=S)N(C)C1CCC(NC(=O)[O-])CC1 ZINC000826781279 603827933 /nfs/dbraw/zinc/82/79/33/603827933.db2.gz MRDYBCUPBXVWAR-WLYUNCDWSA-N -1 0 343.537 3.588 20 0 EHADRM O=C(CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])N[C@H](c1ccccc1)C1CC1 ZINC000831297755 603829796 /nfs/dbraw/zinc/82/97/96/603829796.db2.gz ANUGFRXDIIESKE-KQINYMNHSA-N -1 0 342.439 3.565 20 0 EHADRM Cc1cc2cc(NC(=O)CC3C[C@H]4CC[C@@H](C3)N4C(=O)[O-])ccc2[nH]1 ZINC000830144109 603838230 /nfs/dbraw/zinc/83/82/30/603838230.db2.gz RWYMPKMOXNMRKR-SFESLNEESA-N -1 0 341.411 3.726 20 0 EHADRM CC[C@@H](Oc1cccc(C)c1)c1nc([C@@H](C)CN(C)C(=O)[O-])no1 ZINC000826631556 603880256 /nfs/dbraw/zinc/88/02/56/603880256.db2.gz KUXULPSDBKRPDB-GXTWGEPZSA-N -1 0 333.388 3.621 20 0 EHADRM Cc1cccc(C)c1NC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000830489359 603905364 /nfs/dbraw/zinc/90/53/64/603905364.db2.gz VIBMQVLFBZWSTC-WMLDXEAASA-N -1 0 326.396 3.887 20 0 EHADRM CCC[C@H](NC(=O)[O-])C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000826759245 603927747 /nfs/dbraw/zinc/92/77/47/603927747.db2.gz XTVFUBKNPIFAFT-LBPRGKRZSA-N -1 0 332.322 3.556 20 0 EHADRM O=C([O-])N[C@H]1CC[C@H](C(=O)Nc2cccc(CCC(F)(F)F)c2)C1 ZINC000832284242 603929757 /nfs/dbraw/zinc/92/97/57/603929757.db2.gz ARZUUUJUKQOLDV-AAEUAGOBSA-N -1 0 344.333 3.556 20 0 EHADRM CCN(C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)c1ccc2ccccc2c1 ZINC000826969941 603961632 /nfs/dbraw/zinc/96/16/32/603961632.db2.gz LNBQSEMYGPFOGJ-CVEARBPZSA-N -1 0 326.396 3.629 20 0 EHADRM O=C([O-])N[C@H]1CC[C@@H](C(=O)N(Cc2ccsc2)c2ccccc2)C1 ZINC000832248337 603966415 /nfs/dbraw/zinc/96/64/15/603966415.db2.gz WQFAWMSNLBSZMZ-CABCVRRESA-N -1 0 344.436 3.718 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)Nc2cccc3c2CCN3C(=O)[O-])o1 ZINC000830257067 603974896 /nfs/dbraw/zinc/97/48/96/603974896.db2.gz QNMJIXBTPIRMJP-LLVKDONJSA-N -1 0 329.356 3.511 20 0 EHADRM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000825861383 603994040 /nfs/dbraw/zinc/99/40/40/603994040.db2.gz STMBVCQWCMRVST-DVOMOZLQSA-N -1 0 343.427 3.912 20 0 EHADRM CCSCC[C@@H](C)N(C)C(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000827504672 604023223 /nfs/dbraw/zinc/02/32/23/604023223.db2.gz VUBOJJXWDULXBP-SNVBAGLBSA-N -1 0 328.409 3.519 20 0 EHADRM C[C@H]1CCN(C(=O)c2cccc(NC(=O)[O-])c2)[C@H](c2ccco2)C1 ZINC000825944800 604025431 /nfs/dbraw/zinc/02/54/31/604025431.db2.gz QBUKGFWZNCATDP-WFASDCNBSA-N -1 0 328.368 3.983 20 0 EHADRM CCn1ccnc1CNc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000827706156 604029477 /nfs/dbraw/zinc/02/94/77/604029477.db2.gz IEAYCQFNTWYONA-UHFFFAOYSA-N -1 0 328.294 3.624 20 0 EHADRM CCS[C@@H]1CCC[C@H]1NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000827504065 604032460 /nfs/dbraw/zinc/03/24/60/604032460.db2.gz QRTIGNTYWBQGMM-CHWSQXEVSA-N -1 0 342.848 3.834 20 0 EHADRM CC(C)[C@@H](CCN(C)C(=O)Nc1cccc(C(F)F)c1)NC(=O)[O-] ZINC000824091467 604133645 /nfs/dbraw/zinc/13/36/45/604133645.db2.gz FEDVXANQXYKJOW-CYBMUJFWSA-N -1 0 343.374 3.770 20 0 EHADRM Cc1ccc([C@@H](C)NC(=O)NCCc2ccc(NC(=O)[O-])cc2)s1 ZINC000738552719 604193287 /nfs/dbraw/zinc/19/32/87/604193287.db2.gz OWMLTHBZPDMDPB-GFCCVEGCSA-N -1 0 347.440 3.749 20 0 EHADRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cc2csc(C3CCCC3)n2)C1 ZINC000825270749 604207734 /nfs/dbraw/zinc/20/77/34/604207734.db2.gz CJAPVVXDTKRFAY-GXTWGEPZSA-N -1 0 337.489 3.669 20 0 EHADRM C[C@H](CC(=O)NCCc1ccc(NC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000736542267 604249924 /nfs/dbraw/zinc/24/99/24/604249924.db2.gz WYFINOHSTGKGMC-CYBMUJFWSA-N -1 0 344.386 3.768 20 0 EHADRM Cc1ccc(OCCCC(=O)N2CCC(CCC(=O)[O-])CC2)c(C)c1 ZINC000832950464 604266045 /nfs/dbraw/zinc/26/60/45/604266045.db2.gz BTSXCFFYGCEYIZ-UHFFFAOYSA-N -1 0 347.455 3.566 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000832844653 604267254 /nfs/dbraw/zinc/26/72/54/604267254.db2.gz JDVCPWWURQOLMS-LBPRGKRZSA-N -1 0 328.412 3.944 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N(C)Cc1ccc(C(C)C)cc1 ZINC000832846546 604267932 /nfs/dbraw/zinc/26/79/32/604267932.db2.gz UZILGYNHLGLMJT-UHFFFAOYSA-N -1 0 328.412 3.725 20 0 EHADRM CCC1(CC)[C@H](OC)C[C@H]1N(C)c1nc(Cl)c(C(=O)[O-])s1 ZINC000829056251 604276481 /nfs/dbraw/zinc/27/64/81/604276481.db2.gz UNPFQICBTPAPKC-RKDXNWHRSA-N -1 0 332.853 3.525 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=S)Nc2ccc(F)cc2)cc1 ZINC000825396691 604284148 /nfs/dbraw/zinc/28/41/48/604284148.db2.gz CKSNRGKBPBYHCJ-LLVKDONJSA-N -1 0 347.415 3.641 20 0 EHADRM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccc(C(=O)[O-])c(F)c2)C1 ZINC000828184644 604292820 /nfs/dbraw/zinc/29/28/20/604292820.db2.gz RNRXPGRTVDOBBZ-DIFFPNOSSA-N -1 0 345.345 3.886 20 0 EHADRM C[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])c(F)c2)[C@H]1c1cccc(F)c1 ZINC000828284092 604297674 /nfs/dbraw/zinc/29/76/74/604297674.db2.gz CENBUNQJWMBANI-PIGZYNQJSA-N -1 0 345.345 3.886 20 0 EHADRM C[C@H](NC(=O)[O-])c1ccc(NCc2ccn(C3CCCC3)n2)cc1 ZINC000825448032 604299693 /nfs/dbraw/zinc/29/96/93/604299693.db2.gz AGEUXRLIFTWSSH-ZDUSSCGKSA-N -1 0 328.416 3.939 20 0 EHADRM Cc1cc(Cl)ccc1C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000192870431 604300270 /nfs/dbraw/zinc/30/02/70/604300270.db2.gz GVHACWAHPJCWQX-WBMJQRKESA-N -1 0 331.799 3.840 20 0 EHADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)C(C)(C)c1ccccc1 ZINC000827695436 604305118 /nfs/dbraw/zinc/30/51/18/604305118.db2.gz TYWYEEPQIVTVGS-LBPRGKRZSA-N -1 0 329.371 3.620 20 0 EHADRM C[C@H](CC(=O)N(C)[C@@H](C)c1cccs1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824552441 604310841 /nfs/dbraw/zinc/31/08/41/604310841.db2.gz QLKYQWCOAUJTBC-RDBSUJKOSA-N -1 0 338.473 3.684 20 0 EHADRM Cc1cc(C)c(NC(=O)C[C@H](C)[C@H]2CCCN(C(=O)[O-])C2)c(C)c1 ZINC000829990585 604314827 /nfs/dbraw/zinc/31/48/27/604314827.db2.gz BUBUOLWMWYQNPC-BBRMVZONSA-N -1 0 332.444 3.967 20 0 EHADRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000738320582 604319317 /nfs/dbraw/zinc/31/93/17/604319317.db2.gz JEVRYMUEGXIEEK-DOMZBBRYSA-N -1 0 340.423 3.656 20 0 EHADRM CC[C@@H](Cc1ccccc1)N(CC)C(=O)C1CCC(NC(=O)[O-])CC1 ZINC000826587332 604322294 /nfs/dbraw/zinc/32/22/94/604322294.db2.gz SJAQMEOKJGYZQS-ABHNRTSZSA-N -1 0 346.471 3.683 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)N2CCc3c(F)cc(F)cc3C2)cc1 ZINC000833288924 604324462 /nfs/dbraw/zinc/32/44/62/604324462.db2.gz BEIYQFSAQNFPBJ-UHFFFAOYSA-N -1 0 347.321 3.645 20 0 EHADRM Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(F)c(C(=O)[O-])c2)n1 ZINC000832967351 604325852 /nfs/dbraw/zinc/32/58/52/604325852.db2.gz FAKXSHNZBWVQIS-INIZCTEOSA-N -1 0 343.358 3.596 20 0 EHADRM CO[C@H](C)c1cccc(NC(=O)C[C@@H](C)[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000828828790 604329902 /nfs/dbraw/zinc/32/99/02/604329902.db2.gz BZBMQAGXZVJKOT-FMKPAKJESA-N -1 0 348.443 3.749 20 0 EHADRM CCOCCC1(C(=O)Nc2cc(NC(=O)[O-])ccc2F)CCCC1 ZINC000827394658 604330993 /nfs/dbraw/zinc/33/09/93/604330993.db2.gz ZMUPTDGLBGZBPJ-UHFFFAOYSA-N -1 0 338.379 3.841 20 0 EHADRM Cn1nc(C2CCCCC2)cc1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000833060228 604332301 /nfs/dbraw/zinc/33/23/01/604332301.db2.gz XCGLLRDQSHASPR-UHFFFAOYSA-N -1 0 345.374 3.557 20 0 EHADRM Cc1cccc(C)c1CCNC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000832964948 604332253 /nfs/dbraw/zinc/33/22/53/604332253.db2.gz WCBAKINGFRQZRB-UHFFFAOYSA-N -1 0 345.374 3.897 20 0 EHADRM O=C([O-])NCc1ccc(NC(=O)N(C2CC2)C2CCCCC2)cc1 ZINC000833282008 604339112 /nfs/dbraw/zinc/33/91/12/604339112.db2.gz QKTLLPJIXKJRCS-UHFFFAOYSA-N -1 0 331.416 3.783 20 0 EHADRM O=C([O-])CCc1csc(NC(=O)c2c(Cl)cccc2Cl)n1 ZINC000833239873 604345004 /nfs/dbraw/zinc/34/50/04/604345004.db2.gz ACKUKGNCONHPTR-UHFFFAOYSA-N -1 0 345.207 3.719 20 0 EHADRM CCC[C@](C)(NCc1nc2cc(C(F)(F)F)ccc2o1)C(=O)[O-] ZINC000829202219 604348286 /nfs/dbraw/zinc/34/82/86/604348286.db2.gz KPRRYYUXYDKJSW-AWEZNQCLSA-N -1 0 330.306 3.580 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1cccc2[nH]ccc21 ZINC000237947880 604351892 /nfs/dbraw/zinc/35/18/92/604351892.db2.gz JVICXYSDKJMKRS-UHFFFAOYSA-N -1 0 336.391 3.675 20 0 EHADRM Cc1ccc(NC(=O)N2CCc3c(F)cc(F)cc3C2)cc1C(=O)[O-] ZINC000832945208 604351822 /nfs/dbraw/zinc/35/18/22/604351822.db2.gz DUHHNPDDJLRCMA-UHFFFAOYSA-N -1 0 346.333 3.562 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)/C=C\c1ccccc1F)c1ccccc1 ZINC000826090191 604374709 /nfs/dbraw/zinc/37/47/09/604374709.db2.gz QSBLFDYXZSPAPQ-MENFKHAKSA-N -1 0 341.382 3.807 20 0 EHADRM C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000828252567 604380157 /nfs/dbraw/zinc/38/01/57/604380157.db2.gz UYQYXMBDRLNPDZ-UWWQBHOKSA-N -1 0 347.455 3.550 20 0 EHADRM C[C@@H](C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])c1ccsc1 ZINC000825995177 604386964 /nfs/dbraw/zinc/38/69/64/604386964.db2.gz OHEQKVIAQJFRIF-DOMZBBRYSA-N -1 0 331.437 3.820 20 0 EHADRM Cc1ccc(F)c(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c1 ZINC000832935187 604387686 /nfs/dbraw/zinc/38/76/86/604387686.db2.gz BEDPYLKIGWCSIG-INIZCTEOSA-N -1 0 329.371 3.716 20 0 EHADRM O=C([O-])c1cc(Cl)ccc1NC(=O)c1ccnn1C1CCCC1 ZINC000833299120 604388203 /nfs/dbraw/zinc/38/82/03/604388203.db2.gz MDUZBPCTGOEEIU-UHFFFAOYSA-N -1 0 333.775 3.602 20 0 EHADRM C[C@@H]1CSc2ccccc2N1C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828516813 604390766 /nfs/dbraw/zinc/39/07/66/604390766.db2.gz SDGMBPZNKXQHTN-SNVBAGLBSA-N -1 0 331.368 3.665 20 0 EHADRM CC(C)(C(=O)[O-])[C@H](NC(=O)c1cccc2[nH]ccc21)c1ccccc1 ZINC000826105541 604391170 /nfs/dbraw/zinc/39/11/70/604391170.db2.gz CXMWXJYGDXNTQI-QGZVFWFLSA-N -1 0 336.391 3.750 20 0 EHADRM O=C([O-])Nc1cccc(C(=O)N(c2ccccn2)C2CCCC2)c1 ZINC000833288598 604393474 /nfs/dbraw/zinc/39/34/74/604393474.db2.gz BNHALMKMZCBNQY-UHFFFAOYSA-N -1 0 325.368 3.761 20 0 EHADRM C[C@H](CN(C)C(=O)[O-])c1noc([C@H](C)OC2CCCCCC2)n1 ZINC000824901932 604423683 /nfs/dbraw/zinc/42/36/83/604423683.db2.gz JLSWIWQQXKSGMW-NEPJUHHUSA-N -1 0 325.409 3.583 20 0 EHADRM O=C([O-])NC1(c2nc(C(c3ccccc3)c3ccccc3)no2)CC1 ZINC000832222807 604424643 /nfs/dbraw/zinc/42/46/43/604424643.db2.gz FMOOIUHTFFOSFP-UHFFFAOYSA-N -1 0 335.363 3.507 20 0 EHADRM Cc1sc(NC(=O)/C=C\c2ccnc(Cl)c2)c(C(=O)[O-])c1C ZINC000833033744 604430945 /nfs/dbraw/zinc/43/09/45/604430945.db2.gz GBUIZBIKSSNKAX-ARJAWSKDSA-N -1 0 336.800 3.763 20 0 EHADRM CCCOc1cccc(CC(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000263203672 604433747 /nfs/dbraw/zinc/43/37/47/604433747.db2.gz VMLITXFZIVZYMJ-UHFFFAOYSA-N -1 0 327.380 3.663 20 0 EHADRM C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)[C@@H](C)Cc2ccccc2)cc1 ZINC000825022294 604446359 /nfs/dbraw/zinc/44/63/59/604446359.db2.gz DGBBSLPNBZDGDO-LSDHHAIUSA-N -1 0 340.423 3.510 20 0 EHADRM C[C@H](NC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])c1cccs1 ZINC000827659234 604454550 /nfs/dbraw/zinc/45/45/50/604454550.db2.gz OMGODYPSSCECNX-WFASDCNBSA-N -1 0 346.452 3.960 20 0 EHADRM C[C@H](C[C@H](O)c1ccc(F)cc1)Nc1nc(Cl)c(C(=O)[O-])s1 ZINC000827396427 604459707 /nfs/dbraw/zinc/45/97/07/604459707.db2.gz DUDOFXUIXKFTDX-XCBNKYQSSA-N -1 0 344.795 3.558 20 0 EHADRM CC(C)(C)SCCCC(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000833447067 604469330 /nfs/dbraw/zinc/46/93/30/604469330.db2.gz NEDYQVSMKWIPAE-CQSZACIVSA-N -1 0 328.405 3.807 20 0 EHADRM C[C@H](NC(=O)N1CCC[C@@H]1CC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000314959032 604477218 /nfs/dbraw/zinc/47/72/18/604477218.db2.gz MKSLHJBOXFRNRA-GXSJLCMTSA-N -1 0 345.226 3.703 20 0 EHADRM O=C([O-])c1csc(NC(=O)N2CCC[C@H]2Cc2cccc(F)c2)c1 ZINC000833343157 604488956 /nfs/dbraw/zinc/48/89/56/604488956.db2.gz YUPGLIUFBFLKAJ-AWEZNQCLSA-N -1 0 348.399 3.824 20 0 EHADRM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000828182975 604501842 /nfs/dbraw/zinc/50/18/42/604501842.db2.gz ATXFRWLLAHXOBU-WCQYABFASA-N -1 0 330.409 3.856 20 0 EHADRM Cc1c(CNC(=O)Nc2cc(C(=O)[O-])cs2)oc2ccc(F)cc12 ZINC000832853141 604504734 /nfs/dbraw/zinc/50/47/34/604504734.db2.gz FACITVLXWBOJJF-UHFFFAOYSA-N -1 0 348.355 3.962 20 0 EHADRM CC(C)[C@H](OC(=O)c1cc(-c2ccccn2)ccc1Cl)C(=O)[O-] ZINC000833472163 604516462 /nfs/dbraw/zinc/51/64/62/604516462.db2.gz KNCGLZVLKGGHHP-HNNXBMFYSA-N -1 0 333.771 3.668 20 0 EHADRM CC(C)Oc1cccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)n1 ZINC000833507164 604516624 /nfs/dbraw/zinc/51/66/24/604516624.db2.gz XAKYLAYQWASZTN-OAHLLOKOSA-N -1 0 349.770 3.505 20 0 EHADRM CN(C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-])C(C1CC1)C1CC1 ZINC000830500604 604530136 /nfs/dbraw/zinc/53/01/36/604530136.db2.gz SXFGXKGAEUXGER-QGZVFWFLSA-N -1 0 344.455 3.669 20 0 EHADRM C[C@@H](c1ccco1)N(C)C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000827957694 604536104 /nfs/dbraw/zinc/53/61/04/604536104.db2.gz NXBUFMDHVDRFTH-BBRMVZONSA-N -1 0 344.411 3.834 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H](NC(=O)N1CCCC(C)(C)C1)c1ccccc1 ZINC000828065065 604536217 /nfs/dbraw/zinc/53/62/17/604536217.db2.gz LBGIZRNZWJTZJC-HNNXBMFYSA-N -1 0 332.444 3.670 20 0 EHADRM Cc1cc([C@H](C)OC(=O)[C@H]2Cc3ccccc3S2)oc1C(=O)[O-] ZINC000832873783 604552245 /nfs/dbraw/zinc/55/22/45/604552245.db2.gz HYMVCHIRTXEFHE-IINYFYTJSA-N -1 0 332.377 3.607 20 0 EHADRM Cc1cc([C@H](C)OC(=O)Cc2c(F)cccc2Cl)oc1C(=O)[O-] ZINC000832872666 604558762 /nfs/dbraw/zinc/55/87/62/604558762.db2.gz SVSMXGSAQOBWIG-VIFPVBQESA-N -1 0 340.734 3.926 20 0 EHADRM Cc1cc([C@H](C)OC(=O)[C@@H](C)Cc2ccc(F)cc2)oc1C(=O)[O-] ZINC000832873650 604575225 /nfs/dbraw/zinc/57/52/25/604575225.db2.gz HOQHVIDJDQSNGP-RYUDHWBXSA-N -1 0 334.343 3.908 20 0 EHADRM CC[C@H](C(=O)O[C@@H](C)c1cc(C)c(C(=O)[O-])o1)c1c(C)noc1C ZINC000828604270 604575918 /nfs/dbraw/zinc/57/59/18/604575918.db2.gz YXZBVVJRIIKXPX-JQWIXIFHSA-N -1 0 335.356 3.689 20 0 EHADRM CC(C)Oc1cccc(CN(C)C(=O)c2ccccc2NC(=O)[O-])c1 ZINC000833507255 604576254 /nfs/dbraw/zinc/57/62/54/604576254.db2.gz DFWAUGUTTSVJCL-UHFFFAOYSA-N -1 0 342.395 3.836 20 0 EHADRM Cc1cc([C@@H](C)OC(=O)CCc2cccc(F)c2F)oc1C(=O)[O-] ZINC000832871732 604577573 /nfs/dbraw/zinc/57/75/73/604577573.db2.gz IXNOXCWRZNHRFW-SNVBAGLBSA-N -1 0 338.306 3.801 20 0 EHADRM O=C([O-])C[C@H]1CCCN1C(=O)c1ccccc1CCc1ccccc1 ZINC000263075654 604586738 /nfs/dbraw/zinc/58/67/38/604586738.db2.gz YRMHTPBLVHXZMM-GOSISDBHSA-N -1 0 337.419 3.551 20 0 EHADRM Cc1cc([C@H](C)OC(=O)C[C@H]2CCOc3ccccc32)oc1C(=O)[O-] ZINC000832875922 604588026 /nfs/dbraw/zinc/58/80/26/604588026.db2.gz PJRPBNYUUPDGCH-QWHCGFSZSA-N -1 0 344.363 3.847 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2cccc(F)c2Cl)oc1C(=O)[O-] ZINC000832874801 604594421 /nfs/dbraw/zinc/59/44/21/604594421.db2.gz LIVHDDYHQCXLFC-QMMMGPOBSA-N -1 0 326.707 3.997 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2c(F)c(F)cc(F)c2F)oc1C(=O)[O-] ZINC000832872689 604595934 /nfs/dbraw/zinc/59/59/34/604595934.db2.gz UBSVUBWAENKMKR-LURJTMIESA-N -1 0 346.232 3.761 20 0 EHADRM C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833614145 604602138 /nfs/dbraw/zinc/60/21/38/604602138.db2.gz XMSNORMRAHWIIX-DOMZBBRYSA-N -1 0 336.457 3.954 20 0 EHADRM Cc1cc([C@H](C)OC(=O)c2cccc(Cl)c2F)oc1C(=O)[O-] ZINC000832875264 604602436 /nfs/dbraw/zinc/60/24/36/604602436.db2.gz MWXSWZLPUIXROF-QMMMGPOBSA-N -1 0 326.707 3.997 20 0 EHADRM C[C@H](OC(=O)COc1ccc2c(c1)CCCC2)c1ccc(C(=O)[O-])o1 ZINC000827839351 604609988 /nfs/dbraw/zinc/60/99/88/604609988.db2.gz QWFCTASULUGOES-LBPRGKRZSA-N -1 0 344.363 3.540 20 0 EHADRM C[C@@H](OC(=O)COc1ccc2c(c1)CCCC2)c1ccc(C(=O)[O-])o1 ZINC000827839347 604610010 /nfs/dbraw/zinc/61/00/10/604610010.db2.gz QWFCTASULUGOES-GFCCVEGCSA-N -1 0 344.363 3.540 20 0 EHADRM O=C([O-])C[C@@H]1CCCN1C(=O)Nc1ccccc1SC(F)(F)F ZINC000833214400 604624704 /nfs/dbraw/zinc/62/47/04/604624704.db2.gz SCDYJCXQALOXOZ-VIFPVBQESA-N -1 0 348.346 3.770 20 0 EHADRM Cc1cc(CNc2ccc3ncccc3c2)cc(C)c1OCC(=O)[O-] ZINC000832886575 604646688 /nfs/dbraw/zinc/64/66/88/604646688.db2.gz UUTICSAWNVBZMU-UHFFFAOYSA-N -1 0 336.391 3.927 20 0 EHADRM CC[C@@H](NC(=O)Nc1ccc(NC(=O)[O-])cc1)c1c(C)noc1C ZINC000833642664 604657646 /nfs/dbraw/zinc/65/76/46/604657646.db2.gz FQXJXHDRZPOUFA-CYBMUJFWSA-N -1 0 332.360 3.654 20 0 EHADRM Cc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000832977014 604685078 /nfs/dbraw/zinc/68/50/78/604685078.db2.gz MPLCOKPFTYXNSU-NVXWUHKLSA-N -1 0 332.444 3.731 20 0 EHADRM CN(C(=O)c1ccc(Oc2ccccc2)cc1)C1(C(=O)[O-])CCCC1 ZINC000327731027 604709985 /nfs/dbraw/zinc/70/99/85/604709985.db2.gz VPKKQABBCNXEGL-UHFFFAOYSA-N -1 0 339.391 3.948 20 0 EHADRM Cc1cc([C@@H](C)Sc2ncn(-c3ccccc3)n2)oc1C(=O)[O-] ZINC000832876729 604711200 /nfs/dbraw/zinc/71/12/00/604711200.db2.gz YDDSMIGGELTSJA-LLVKDONJSA-N -1 0 329.381 3.720 20 0 EHADRM Cc1nc(-c2cccs2)ccc1C(=O)N(C)C1(C(=O)[O-])CCCC1 ZINC000832993097 604714431 /nfs/dbraw/zinc/71/44/31/604714431.db2.gz JCHYMNRZRMIMRJ-UHFFFAOYSA-N -1 0 344.436 3.588 20 0 EHADRM Cc1cc([C@@H](C)Sc2nnc(OC(C)C)s2)oc1C(=O)[O-] ZINC000832875458 604714623 /nfs/dbraw/zinc/71/46/23/604714623.db2.gz SCBZBQYREHSZBN-MRVPVSSYSA-N -1 0 328.415 3.778 20 0 EHADRM CC(C)C[C@H](C(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccccc1 ZINC000826754454 604723370 /nfs/dbraw/zinc/72/33/70/604723370.db2.gz OCVFVJXDGAQCEH-HNNXBMFYSA-N -1 0 346.452 3.929 20 0 EHADRM Cc1cccc(-c2cncc(C(=O)N(C)C3(C(=O)[O-])CCCC3)c2)c1 ZINC000832960759 604725927 /nfs/dbraw/zinc/72/59/27/604725927.db2.gz YNQNXMSHHWTLRQ-UHFFFAOYSA-N -1 0 338.407 3.526 20 0 EHADRM C[C@@H](C(=O)Nc1nc(CCC(=O)[O-])cs1)c1cccc(Cl)c1 ZINC000826025841 604731980 /nfs/dbraw/zinc/73/19/80/604731980.db2.gz GSPUCHOYUVUHNC-SECBINFHSA-N -1 0 338.816 3.556 20 0 EHADRM O=C([O-])CCc1csc(NC(=O)c2c[nH]c3cc(Cl)ccc23)n1 ZINC000833240908 604733380 /nfs/dbraw/zinc/73/33/80/604733380.db2.gz RQWSGVHUXQNHMY-UHFFFAOYSA-N -1 0 349.799 3.547 20 0 EHADRM C[C@@H](OC(=O)CCc1ccccc1C(=O)[O-])c1ncc(C(C)(C)C)o1 ZINC000833528490 604734831 /nfs/dbraw/zinc/73/48/31/604734831.db2.gz KLEZSEYOBWCCKW-GFCCVEGCSA-N -1 0 345.395 3.907 20 0 EHADRM CC[C@@H](C)c1ccc(C(=O)Nc2nc(CCC(=O)[O-])cs2)cc1 ZINC000828764863 604738357 /nfs/dbraw/zinc/73/83/57/604738357.db2.gz OVUFRAYIZDRPFR-LLVKDONJSA-N -1 0 332.425 3.926 20 0 EHADRM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)c1ccc(C(=O)[O-])s1 ZINC000262784487 604744297 /nfs/dbraw/zinc/74/42/97/604744297.db2.gz MOHFNLHYAMIFEN-VHSXEESVSA-N -1 0 333.384 3.733 20 0 EHADRM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1ccc(C(=O)[O-])s1 ZINC000262784489 604744401 /nfs/dbraw/zinc/74/44/01/604744401.db2.gz MOHFNLHYAMIFEN-ZJUUUORDSA-N -1 0 333.384 3.733 20 0 EHADRM CC[C@@](C)(NC(=O)CCc1ccccc1C(=O)[O-])c1nc(C)cs1 ZINC000262095725 604760144 /nfs/dbraw/zinc/76/01/44/604760144.db2.gz DBQIBLIUMATEQU-GOSISDBHSA-N -1 0 346.452 3.524 20 0 EHADRM C/C(=C\c1ccc(Cl)cc1)C(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC000761866483 604781681 /nfs/dbraw/zinc/78/16/81/604781681.db2.gz RKLDFAXWVCZSEI-OFAQMXQXSA-N -1 0 347.773 3.825 20 0 EHADRM C[C@H]1CC/C(=C/C(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)C1 ZINC000828201298 604790147 /nfs/dbraw/zinc/79/01/47/604790147.db2.gz QSICEWLZTRWGOU-UZFBZYOGSA-N -1 0 342.439 3.534 20 0 EHADRM CC(C)c1ncc(C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)s1 ZINC000827158283 604811503 /nfs/dbraw/zinc/81/15/03/604811503.db2.gz GTIVHJIIHDXIDV-UHFFFAOYSA-N -1 0 336.438 3.767 20 0 EHADRM CC(C)Oc1ccc([C@@H](C)NC(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000827047583 604811975 /nfs/dbraw/zinc/81/19/75/604811975.db2.gz KPKHTKLJLCTSLG-GFCCVEGCSA-N -1 0 345.370 3.802 20 0 EHADRM CCn1c2ccc(Cl)cc2nc1NC(=O)c1cccc(C(=O)[O-])c1 ZINC000833684331 604820392 /nfs/dbraw/zinc/82/03/92/604820392.db2.gz YHFYUSWZUDSHND-UHFFFAOYSA-N -1 0 343.770 3.660 20 0 EHADRM C[C@H](CSCc1ccccc1)C(=O)Nc1sccc1C(=O)[O-] ZINC000827581785 604820592 /nfs/dbraw/zinc/82/05/92/604820592.db2.gz SBXLKIUTTYUMCA-LLVKDONJSA-N -1 0 335.450 3.954 20 0 EHADRM CC(C)c1ncc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)s1 ZINC000190763174 604824141 /nfs/dbraw/zinc/82/41/41/604824141.db2.gz CRIRPMSXFJZOSW-ZDUSSCGKSA-N -1 0 332.425 3.602 20 0 EHADRM O=C([O-])c1ccc(NC(=O)Cc2cc(F)c(F)cc2F)cc1Cl ZINC000833116903 604824650 /nfs/dbraw/zinc/82/46/50/604824650.db2.gz JQDMZDVJAORPHJ-UHFFFAOYSA-N -1 0 343.688 3.637 20 0 EHADRM O=C([O-])c1ccc(C(=O)N[C@H](CC2CC2)c2ccccc2)cc1F ZINC000833125471 604827140 /nfs/dbraw/zinc/82/71/40/604827140.db2.gz DBJSPJIYCLVNID-QGZVFWFLSA-N -1 0 327.355 3.795 20 0 EHADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc3ccccc32)cc1 ZINC000013187652 604842463 /nfs/dbraw/zinc/84/24/63/604842463.db2.gz DHEAOKZPUKNFGP-IBGZPJMESA-N -1 0 349.386 3.794 20 0 EHADRM Cc1oc(C(=O)[O-])cc1COC(=O)[C@H](C)CSCc1ccccc1 ZINC000833025853 604842872 /nfs/dbraw/zinc/84/28/72/604842872.db2.gz SVBZXKJORZESAF-GFCCVEGCSA-N -1 0 348.420 3.899 20 0 EHADRM C[C@H](c1nnc(-c2ccccc2)o1)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833549181 604844556 /nfs/dbraw/zinc/84/45/56/604844556.db2.gz BOBPRROODPNRKN-CYBMUJFWSA-N -1 0 349.390 3.554 20 0 EHADRM Cc1cccc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)c1C ZINC000237611453 604844720 /nfs/dbraw/zinc/84/47/20/604844720.db2.gz UCWPEWUDJKIRTF-UHFFFAOYSA-N -1 0 333.771 3.673 20 0 EHADRM O=C([O-])COc1ccc(NC(=O)CC2CCCCC2)cc1Cl ZINC000237956176 604847357 /nfs/dbraw/zinc/84/73/57/604847357.db2.gz HHJVBKHFLOGCEA-UHFFFAOYSA-N -1 0 325.792 3.712 20 0 EHADRM C[C@@H](CC1CCCC1)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000237488094 604851309 /nfs/dbraw/zinc/85/13/09/604851309.db2.gz MYROCRHPPXRFLM-NSHDSACASA-N -1 0 339.819 3.958 20 0 EHADRM Cc1cc(C)cc(CCC(=O)Nc2ccc(OCC(=O)[O-])cc2C)c1 ZINC000190949832 604855886 /nfs/dbraw/zinc/85/58/86/604855886.db2.gz JERKXSIWTNFEET-UHFFFAOYSA-N -1 0 341.407 3.647 20 0 EHADRM C[C@H](CC(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21)c1ccc(F)cc1 ZINC000669435747 604858363 /nfs/dbraw/zinc/85/83/63/604858363.db2.gz QHPLKBDZKAGEQB-CXAGYDPISA-N -1 0 341.382 3.924 20 0 EHADRM CCc1oc(C(=O)[O-])cc1CNc1ccc2c(cnn2C(F)F)c1 ZINC000833681126 604874145 /nfs/dbraw/zinc/87/41/45/604874145.db2.gz UCVJGEVIUNWXJR-UHFFFAOYSA-N -1 0 335.310 3.897 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1cc2c(s1)CCCCC2)c1ccccc1 ZINC000013224426 604876685 /nfs/dbraw/zinc/87/66/85/604876685.db2.gz QYNDQXHDCMFGEC-OAHLLOKOSA-N -1 0 343.448 3.963 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C2(c3cccc(Cl)c3)CC2)C1 ZINC000679105311 604881013 /nfs/dbraw/zinc/88/10/13/604881013.db2.gz KDXCGHZVVGNCTE-CQSZACIVSA-N -1 0 349.858 3.721 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cc3c(s2)CCCC3)C1 ZINC000321721458 604885306 /nfs/dbraw/zinc/88/53/06/604885306.db2.gz RGWDRZZCEJMFNT-CYBMUJFWSA-N -1 0 335.469 3.590 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1 ZINC000325352688 604885363 /nfs/dbraw/zinc/88/53/63/604885363.db2.gz LHCBAHKUMSGIHL-MWDXBVQZSA-N -1 0 335.488 3.942 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)C[C@H]2CCc3ccccc3C2)C1 ZINC000679102958 604885402 /nfs/dbraw/zinc/88/54/02/604885402.db2.gz LQCJHDGAGIWPMT-YJBOKZPZSA-N -1 0 343.467 3.531 20 0 EHADRM Cc1cc(F)ccc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000431771981 604885483 /nfs/dbraw/zinc/88/54/83/604885483.db2.gz YDJUWDDKTJVOEU-HNNXBMFYSA-N -1 0 335.762 3.733 20 0 EHADRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)/C=C/Sc2ccccc2)C1 ZINC000833414726 604887402 /nfs/dbraw/zinc/88/74/02/604887402.db2.gz CQORQXWJTWQVPW-WONIAPNHSA-N -1 0 333.453 3.642 20 0 EHADRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)/C=C/c2ccccc2Cl)C1 ZINC000322202972 604890034 /nfs/dbraw/zinc/89/00/34/604890034.db2.gz TVNDXBCONCTGMX-ATWMFIQVSA-N -1 0 335.831 3.703 20 0 EHADRM C[C@@H](CC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1cccc(F)c1 ZINC000679104915 604892010 /nfs/dbraw/zinc/89/20/10/604892010.db2.gz FMRPMVAIPPQQSX-DZGCQCFKSA-N -1 0 335.419 3.669 20 0 EHADRM C[C@H](C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000679102188 604894144 /nfs/dbraw/zinc/89/41/44/604894144.db2.gz URABVCAJPPCIHE-GXTWGEPZSA-N -1 0 337.847 3.793 20 0 EHADRM C[C@H](CC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccc(F)cc1 ZINC000679102062 604896753 /nfs/dbraw/zinc/89/67/53/604896753.db2.gz SUVJPITVBIASBE-UKRRQHHQSA-N -1 0 335.419 3.669 20 0 EHADRM Cc1cc(C)cc(CCC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000761625163 604904567 /nfs/dbraw/zinc/90/45/67/604904567.db2.gz CJKYSGOSIKPADM-IBGZPJMESA-N -1 0 325.408 3.520 20 0 EHADRM CCC(=O)c1cccc(NC(=O)N[C@H](CC(=O)[O-])c2cccs2)c1 ZINC000828580234 604906830 /nfs/dbraw/zinc/90/68/30/604906830.db2.gz DLFAUFCNBZSRAB-CYBMUJFWSA-N -1 0 346.408 3.678 20 0 EHADRM O=C([O-])c1cncc(NC(=O)C2(c3cccc(Cl)c3)CCCC2)c1 ZINC000833337461 604909479 /nfs/dbraw/zinc/90/94/79/604909479.db2.gz GEDNYNKUVIHKHM-UHFFFAOYSA-N -1 0 344.798 3.884 20 0 EHADRM CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000829718949 604924380 /nfs/dbraw/zinc/92/43/80/604924380.db2.gz RSHVBTQCZJQNJM-UHFFFAOYSA-N -1 0 341.791 3.901 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)/C=C/c1cccc(F)c1 ZINC000237944657 604933008 /nfs/dbraw/zinc/93/30/08/604933008.db2.gz PKTYVCVYVRWCIA-VAWYXSNFSA-N -1 0 341.382 3.733 20 0 EHADRM C[C@@H](C(=O)N(CCCC(=O)[O-])Cc1ccccc1)c1cccs1 ZINC000237449650 604936887 /nfs/dbraw/zinc/93/68/87/604936887.db2.gz WDZUDBQKNGZJIZ-CQSZACIVSA-N -1 0 331.437 3.745 20 0 EHADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1cccc2cnccc21 ZINC000833226979 604940081 /nfs/dbraw/zinc/94/00/81/604940081.db2.gz ZMHMMZYLYXXYPL-UHFFFAOYSA-N -1 0 348.402 3.742 20 0 EHADRM CC(C)Cc1ccc([C@@H](C)C(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000033993733 604948642 /nfs/dbraw/zinc/94/86/42/604948642.db2.gz VISUKWKPRAGWHN-RWBZWWBESA-N -1 0 331.456 3.748 20 0 EHADRM C/C(=C\COC(=O)c1cc2ccccc2cc1OC(F)F)C(=O)[O-] ZINC000833383505 604955586 /nfs/dbraw/zinc/95/55/86/604955586.db2.gz MVVSOCKNMXDADQ-UXBLZVDNSA-N -1 0 336.290 3.629 20 0 EHADRM COc1ccc2oc(C(=O)N[C@@]3(C)CCCC[C@H]3C(=O)[O-])c(C)c2c1 ZINC000559388691 604958134 /nfs/dbraw/zinc/95/81/34/604958134.db2.gz MMGDMYOROFGFJX-LIRRHRJNSA-N -1 0 345.395 3.513 20 0 EHADRM CC(C)Cc1ccc([C@H](C)C(=O)Nc2ncc(C(=O)[O-])s2)cc1 ZINC000833495062 604963098 /nfs/dbraw/zinc/96/30/98/604963098.db2.gz UTPJAVPALBRFLP-NSHDSACASA-N -1 0 332.425 3.782 20 0 EHADRM CC(C)c1ccc(CNC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1 ZINC000326867771 604980727 /nfs/dbraw/zinc/98/07/27/604980727.db2.gz WPGRKSFXZCVJRY-QGZVFWFLSA-N -1 0 346.471 3.842 20 0 EHADRM CCc1nc(NC(=O)C(C)(C)c2ccccc2C)sc1C(=O)[O-] ZINC000833673953 604996489 /nfs/dbraw/zinc/99/64/89/604996489.db2.gz MHALKDIYBPSTOG-UHFFFAOYSA-N -1 0 332.425 3.628 20 0 EHADRM C/C(=C\c1ccc(F)cc1)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000777401060 604999284 /nfs/dbraw/zinc/99/92/84/604999284.db2.gz REJHJHMFDIRMCK-FQNOHDAGSA-N -1 0 333.403 3.578 20 0 EHADRM Cc1cccc(OS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])c1 ZINC000833753705 605013793 /nfs/dbraw/zinc/01/37/93/605013793.db2.gz WDQGVSIXMSYGNC-UHFFFAOYSA-N -1 0 348.401 3.676 20 0 EHADRM Cc1cccc(-c2nnc([C@@H](C)OC(=O)CC(C)(C)CC(=O)[O-])o2)c1 ZINC000833751956 605034116 /nfs/dbraw/zinc/03/41/16/605034116.db2.gz BNUQPNLBUUEXNT-GFCCVEGCSA-N -1 0 346.383 3.540 20 0 EHADRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)C/C=C/c1ccc(C(C)C)cc1 ZINC000833503660 605047586 /nfs/dbraw/zinc/04/75/86/605047586.db2.gz HRCJJHFRBJVQFJ-IPLHWJFFSA-N -1 0 347.455 3.550 20 0 EHADRM CC(C)n1cccc1C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC000833513871 605052410 /nfs/dbraw/zinc/05/24/10/605052410.db2.gz YNQFNZHXYZGNEP-UHFFFAOYSA-N -1 0 335.429 3.774 20 0 EHADRM O=C([O-])C1(NC(=O)Cc2csc3ccc(Cl)cc23)CCCC1 ZINC000190573954 605054177 /nfs/dbraw/zinc/05/41/77/605054177.db2.gz JMIHINQFCANQOO-UHFFFAOYSA-N -1 0 337.828 3.611 20 0 EHADRM C[C@@H](C(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1)c1cccc(Cl)c1 ZINC000833411113 605058144 /nfs/dbraw/zinc/05/81/44/605058144.db2.gz LWPMCZBFPTVSLE-SECBINFHSA-N -1 0 343.770 3.657 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)Cc1csc2ccc(Cl)cc12)C(=O)[O-] ZINC000683308752 605065373 /nfs/dbraw/zinc/06/53/73/605065373.db2.gz UAUDNLUGESPVPC-AWEZNQCLSA-N -1 0 339.844 3.713 20 0 EHADRM CC1(C)CC[C@@H](C(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)C1 ZINC000833558590 605079247 /nfs/dbraw/zinc/07/92/47/605079247.db2.gz XMQSDHXLTNLJAI-GFCCVEGCSA-N -1 0 339.382 3.594 20 0 EHADRM CC(C)c1cccc(C(C)C)c1NC(=O)N1CC[C@H](NC(=O)[O-])C1 ZINC000738874730 605081998 /nfs/dbraw/zinc/08/19/98/605081998.db2.gz AMZYFXFMISMLDZ-ZDUSSCGKSA-N -1 0 333.432 3.807 20 0 EHADRM CC(C)[C@@H]1c2ccccc2CCN1C(=O)C1CCC(C(=O)[O-])CC1 ZINC000833474052 605090149 /nfs/dbraw/zinc/09/01/49/605090149.db2.gz UNLOKQSCKOIZEK-LEOMRAHMSA-N -1 0 329.440 3.659 20 0 EHADRM C[C@H]1CC[C@]2(CCN(C(=O)Nc3ccc(OCCC(=O)[O-])cc3)C2)C1 ZINC000833609181 605096299 /nfs/dbraw/zinc/09/62/99/605096299.db2.gz GANTWSAPMAVWGP-LIRRHRJNSA-N -1 0 346.427 3.584 20 0 EHADRM CCC(CC)(CNC(=O)N1CCC[C@H]1c1ccc(C)cc1)C(=O)[O-] ZINC000424415309 605098589 /nfs/dbraw/zinc/09/85/89/605098589.db2.gz SEGZNFKBELLBPY-INIZCTEOSA-N -1 0 332.444 3.733 20 0 EHADRM C[C@H](c1ccccc1Br)N(C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833549768 605104385 /nfs/dbraw/zinc/10/43/85/605104385.db2.gz NZAVUTRIKBGLSL-SNVBAGLBSA-N -1 0 337.217 3.668 20 0 EHADRM O=C([O-])C[C@@H](NC(=O)c1ccc(Cl)c(F)c1)c1ccc(F)cc1 ZINC000190496286 605120210 /nfs/dbraw/zinc/12/02/10/605120210.db2.gz CPLZDSGGRMWTKS-CQSZACIVSA-N -1 0 339.725 3.564 20 0 EHADRM CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2ccc(F)cc2C(=O)[O-])C1 ZINC000833668254 605134090 /nfs/dbraw/zinc/13/40/90/605134090.db2.gz QCFSUBAICFXQDL-NEPJUHHUSA-N -1 0 340.420 3.662 20 0 EHADRM C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC000833593992 605134667 /nfs/dbraw/zinc/13/46/67/605134667.db2.gz WGUHVDKMVOTIMU-CMPLNLGQSA-N -1 0 349.452 3.659 20 0 EHADRM C[C@H]1CCCN(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])C1 ZINC000321012339 605135455 /nfs/dbraw/zinc/13/54/55/605135455.db2.gz SOUIFKVCCQDTIA-VIFPVBQESA-N -1 0 330.306 3.667 20 0 EHADRM C[C@@H]1CC[C@H](C)N1C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000833604581 605136832 /nfs/dbraw/zinc/13/68/32/605136832.db2.gz SCHVFNVPBMWPDQ-DTORHVGOSA-N -1 0 330.306 3.808 20 0 EHADRM CCc1ccc(CN(C)C(=O)Nc2cc(OC)ccc2C(=O)[O-])cc1 ZINC000833669388 605139530 /nfs/dbraw/zinc/13/95/30/605139530.db2.gz FYBFCTPVDQWWAZ-UHFFFAOYSA-N -1 0 342.395 3.620 20 0 EHADRM CC1(C)CC[C@@H]2C[C@@H](NC(=O)NCCCCC(=O)[O-])c3cccc1c32 ZINC000666540147 605146820 /nfs/dbraw/zinc/14/68/20/605146820.db2.gz HXWHAZYGPULQRX-CZUORRHYSA-N -1 0 344.455 3.841 20 0 EHADRM CC(C)(C)[C@@H](NC(=O)Cc1cc2c(ccc3ccccc23)o1)C(=O)[O-] ZINC000683309077 605149180 /nfs/dbraw/zinc/14/91/80/605149180.db2.gz VSBPPGVXUWBDBR-SFHVURJKSA-N -1 0 339.391 3.744 20 0 EHADRM CC(C)(C)C[C@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)[O-] ZINC000833429490 605149306 /nfs/dbraw/zinc/14/93/06/605149306.db2.gz LOPUGPCMLJVIOM-ZDUSSCGKSA-N -1 0 349.456 3.778 20 0 EHADRM CC(C)(C)C[C@@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)[O-] ZINC000833429895 605150196 /nfs/dbraw/zinc/15/01/96/605150196.db2.gz PWGAEBXJPXFPFU-CYBMUJFWSA-N -1 0 346.456 3.657 20 0 EHADRM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cc2ccccc2s1 ZINC000832232379 605150785 /nfs/dbraw/zinc/15/07/85/605150785.db2.gz ZFPLRQDPTHZWAD-AGUYFDCRSA-N -1 0 344.436 3.695 20 0 EHADRM CCC(CC)n1nc(C(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])cc1C ZINC000262998900 605152544 /nfs/dbraw/zinc/15/25/44/605152544.db2.gz UPYGRCLITJZXET-CVEARBPZSA-N -1 0 349.475 3.706 20 0 EHADRM Cc1c(C(=O)[O-])csc1NC(=O)c1nc(C(C)C)ncc1Cl ZINC000833741663 605158193 /nfs/dbraw/zinc/15/81/93/605158193.db2.gz SQKJIFLOJUQLHB-UHFFFAOYSA-N -1 0 339.804 3.574 20 0 EHADRM C[C@@H](SCCOc1ccccc1C(=O)[O-])c1nc(C2CC2)no1 ZINC000833542203 605158914 /nfs/dbraw/zinc/15/89/14/605158914.db2.gz GMQQVPALKYCWGR-SNVBAGLBSA-N -1 0 334.397 3.518 20 0 EHADRM CCC(CC)n1nc(C(=O)OCc2ccc(C(=O)[O-])c(F)c2)cc1C ZINC000833642000 605165689 /nfs/dbraw/zinc/16/56/89/605165689.db2.gz VIAVZHWMSWVVOC-UHFFFAOYSA-N -1 0 348.374 3.747 20 0 EHADRM CC(C)(CCC(=O)N[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000431463998 605193013 /nfs/dbraw/zinc/19/30/13/605193013.db2.gz KAAVLPQAOJYREW-SFHVURJKSA-N -1 0 325.408 3.687 20 0 EHADRM CC[C@@H](C)[C@@H](C)C(=O)OCc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000833638469 605196042 /nfs/dbraw/zinc/19/60/42/605196042.db2.gz NDLGCABJTMLJGF-VXGBXAGGSA-N -1 0 331.368 3.765 20 0 EHADRM O=C([O-])c1cc(NC(=O)C(F)=C2CCCC2)ccc1Br ZINC000833769262 605198841 /nfs/dbraw/zinc/19/88/41/605198841.db2.gz ZUCYZTFXGTZYTQ-UHFFFAOYSA-N -1 0 342.164 3.883 20 0 EHADRM CC[C@@H](C)Oc1cc(C(=O)Nc2cc(C)c(C(=O)[O-])s2)ccn1 ZINC000833640733 605202075 /nfs/dbraw/zinc/20/20/75/605202075.db2.gz BLVJIWPMYRHUBP-SNVBAGLBSA-N -1 0 334.397 3.579 20 0 EHADRM O=C([O-])C1CCC(C(=O)Nc2ccc(N3CCCCCC3)cc2)CC1 ZINC000833772350 605214446 /nfs/dbraw/zinc/21/44/46/605214446.db2.gz VAGUZLZNKARWQB-UHFFFAOYSA-N -1 0 344.455 3.897 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1nc2ccccc2n1C1CCCC1 ZINC000190654042 605224166 /nfs/dbraw/zinc/22/41/66/605224166.db2.gz SYRPWAZKSOHDID-UHFFFAOYSA-N -1 0 343.427 3.981 20 0 EHADRM C[C@@H](CCCc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000431206010 605229958 /nfs/dbraw/zinc/22/99/58/605229958.db2.gz CKXLWVPDIIPKAC-HNNXBMFYSA-N -1 0 325.408 3.660 20 0 EHADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)Cc1ccccc1C(=O)[O-] ZINC000322577127 605231411 /nfs/dbraw/zinc/23/14/11/605231411.db2.gz RBCDXDGIXJXDCL-GFCCVEGCSA-N -1 0 331.799 3.800 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)/C=C\c1ccnc2ccccc12)C(=O)[O-] ZINC000833426156 605233110 /nfs/dbraw/zinc/23/31/10/605233110.db2.gz FLKQBTMJDXAWEW-HLRDLLSLSA-N -1 0 327.380 3.681 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)c1cccc(-c2cscn2)c1)C(=O)[O-] ZINC000833429091 605234074 /nfs/dbraw/zinc/23/40/74/605234074.db2.gz HDIUVNNSTVKWDP-AWEZNQCLSA-N -1 0 333.409 3.856 20 0 EHADRM CC(C)(C)C[C@H](OC(=O)c1cccc(C(F)(F)F)c1F)C(=O)[O-] ZINC000833429979 605235564 /nfs/dbraw/zinc/23/55/64/605235564.db2.gz RJBGPISZJJYPGR-JTQLQIEISA-N -1 0 336.281 3.891 20 0 EHADRM CC(C)(C)C[C@@H](OC(=O)c1cccc(Oc2nccs2)c1)C(=O)[O-] ZINC000833430328 605239954 /nfs/dbraw/zinc/23/99/54/605239954.db2.gz VPORWJKIKZVLQU-CYBMUJFWSA-N -1 0 349.408 3.982 20 0 EHADRM O=C([O-])N1CCC[C@@H](CNc2cccc(C3SCCS3)c2)C1 ZINC000831985309 605242144 /nfs/dbraw/zinc/24/21/44/605242144.db2.gz ITEGLCGZRQVNIW-LBPRGKRZSA-N -1 0 338.498 3.967 20 0 EHADRM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)Cc2ccccc2C(=O)[O-])C1 ZINC000566893965 605251820 /nfs/dbraw/zinc/25/18/20/605251820.db2.gz HNQZMDQQSZHDSO-FZKQIMNGSA-N -1 0 341.382 3.676 20 0 EHADRM C[C@H](Sc1ccccc1Cl)C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC000833545824 605253573 /nfs/dbraw/zinc/25/35/73/605253573.db2.gz WCUFCORXECNZQI-VIFPVBQESA-N -1 0 336.800 3.553 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)NCc1ccc(OC2CCCCC2)cc1 ZINC000236808174 605258370 /nfs/dbraw/zinc/25/83/70/605258370.db2.gz ROXDIPUBBJSOKJ-UHFFFAOYSA-N -1 0 347.455 3.905 20 0 EHADRM C[C@@H]1CCCC[C@@H]1NC(=S)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833613870 605260147 /nfs/dbraw/zinc/26/01/47/605260147.db2.gz VYPNDDVIUGAGHH-SKDRFNHKSA-N -1 0 325.409 3.781 20 0 EHADRM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)CC(C)(C)CC(=O)[O-] ZINC000237007728 605264092 /nfs/dbraw/zinc/26/40/92/605264092.db2.gz MUQUQIXZBOTUHH-AWEZNQCLSA-N -1 0 335.444 3.680 20 0 EHADRM C[C@@H]1C[C@H]1c1ccc(CNC(=O)Nc2ccc(NC(=O)[O-])c(F)c2)o1 ZINC000833603736 605283900 /nfs/dbraw/zinc/28/39/00/605283900.db2.gz HRGIJFHMBHAMOQ-BXKDBHETSA-N -1 0 347.346 3.954 20 0 EHADRM CCc1cc(N[C@@H](C(=O)[O-])c2cc(OC)cc(OC)c2)ccc1C ZINC000833670870 605290267 /nfs/dbraw/zinc/29/02/67/605290267.db2.gz DJSIUWFSXSDUOU-GOSISDBHSA-N -1 0 329.396 3.812 20 0 EHADRM CCC(CC)[C@H]1C[C@H](NC(=O)Nc2cc(C(=O)[O-])ccc2C)CCO1 ZINC000833642805 605302639 /nfs/dbraw/zinc/30/26/39/605302639.db2.gz UAQJZAZPALCYAW-NVXWUHKLSA-N -1 0 348.443 3.799 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000833455217 605307257 /nfs/dbraw/zinc/30/72/57/605307257.db2.gz UAZITAOSXOHKAG-MRXNPFEDSA-N -1 0 333.403 3.769 20 0 EHADRM Cc1cc(C(=O)Nc2cc(C3CCCC3)[nH]n2)ccc1NC(=O)[O-] ZINC000829962217 605312473 /nfs/dbraw/zinc/31/24/73/605312473.db2.gz XFCNYDISKMSSFW-UHFFFAOYSA-N -1 0 328.372 3.718 20 0 EHADRM Cc1ccc(C[C@@H](C)C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000192876375 605419903 /nfs/dbraw/zinc/41/99/03/605419903.db2.gz VXXDHTGVZMUODP-OAHLLOKOSA-N -1 0 325.408 3.530 20 0 EHADRM Cc1ccc(C[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000685018981 605419922 /nfs/dbraw/zinc/41/99/22/605419922.db2.gz OCEGVKQRABCSGE-ZFWWWQNUSA-N -1 0 331.437 3.567 20 0 EHADRM C/C(=C\c1ccc(C)cc1)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000833385846 605422786 /nfs/dbraw/zinc/42/27/86/605422786.db2.gz VWIKSLRFBIISHZ-SDNWHVSQSA-N -1 0 325.364 3.500 20 0 EHADRM CC(C)CN(CCC(=O)[O-])C(=O)c1ccnc(SC(C)(C)C)c1 ZINC000833486725 605434447 /nfs/dbraw/zinc/43/44/47/605434447.db2.gz PYRORMPLBVUFLM-UHFFFAOYSA-N -1 0 338.473 3.545 20 0 EHADRM C[C@@H](CSCc1ccccc1)c1nc(C2(NC(=O)[O-])CCC2)no1 ZINC000825016097 605475395 /nfs/dbraw/zinc/47/53/95/605475395.db2.gz MLIBGZQPQYTYSU-LBPRGKRZSA-N -1 0 347.440 3.753 20 0 EHADRM O=C([O-])N1CCC[C@H]1CCC(=O)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000833995594 605485430 /nfs/dbraw/zinc/48/54/30/605485430.db2.gz WPTFAEIOODGNSW-GJZGRUSLSA-N -1 0 336.819 3.536 20 0 EHADRM Cc1ccc(C(F)(F)F)cc1NC(=O)CC[C@@H]1CCN(C(=O)[O-])C1 ZINC000833905235 605490954 /nfs/dbraw/zinc/49/09/54/605490954.db2.gz QCYLQPZCDUABRB-LLVKDONJSA-N -1 0 344.333 3.732 20 0 EHADRM CCOc1cc(Cl)ccc1C(=O)Nc1cc(OC)ccc1C(=O)[O-] ZINC000833660728 605507952 /nfs/dbraw/zinc/50/79/52/605507952.db2.gz RILGPEMXHZNKSM-UHFFFAOYSA-N -1 0 349.770 3.698 20 0 EHADRM O=C([O-])N1CCC[C@@H]1CNC(=O)Nc1cc(C(F)F)ccc1Cl ZINC000831647502 605557288 /nfs/dbraw/zinc/55/72/88/605557288.db2.gz NDQATCHVQPZIAN-SECBINFHSA-N -1 0 347.749 3.542 20 0 EHADRM O=C([O-])N[C@@H](CC(=O)Nc1ccc2ncccc2c1)c1ccccc1 ZINC000832113983 605588952 /nfs/dbraw/zinc/58/89/52/605588952.db2.gz PLPGUUXOEOBOBD-KRWDZBQOSA-N -1 0 335.363 3.572 20 0 EHADRM C[C@H](c1cccs1)N(C)C(=O)C[C@@H](NC(=O)[O-])c1ccccc1 ZINC000825644350 605589721 /nfs/dbraw/zinc/58/97/21/605589721.db2.gz BPZFIRMLTMTFKF-TZMCWYRMSA-N -1 0 332.425 3.667 20 0 EHADRM CC(C)=C[C@H]1[C@@H](C(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)C1(C)C ZINC000649253689 605622614 /nfs/dbraw/zinc/62/26/14/605622614.db2.gz OBAVJDXRMYCTRX-HOTGVXAUSA-N -1 0 342.439 3.512 20 0 EHADRM C[C@@H]1C[C@H](C(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)CC(C)(C)C1 ZINC000649253349 605623234 /nfs/dbraw/zinc/62/32/34/605623234.db2.gz FNEXGJZMZSZJAK-OCCSQVGLSA-N -1 0 344.455 3.736 20 0 EHADRM O=C([O-])Nc1ccc(CNc2c(F)cccc2N2CCCC2)cn1 ZINC000834260678 605647406 /nfs/dbraw/zinc/64/74/06/605647406.db2.gz WFWCYEAQASEDBE-UHFFFAOYSA-N -1 0 330.363 3.523 20 0 EHADRM O=C([O-])Nc1ccc(CC(=O)Nc2cccc3ccc(O)cc32)cc1 ZINC000834255029 605665059 /nfs/dbraw/zinc/66/50/59/605665059.db2.gz DWDVSURJVYSBLA-UHFFFAOYSA-N -1 0 336.347 3.817 20 0 EHADRM Cc1cc(C(=O)N[C@@H]2CSc3ccccc32)ccc1NC(=O)[O-] ZINC000829944708 605695581 /nfs/dbraw/zinc/69/55/81/605695581.db2.gz DAADYAGPTSYQHS-CQSZACIVSA-N -1 0 328.393 3.662 20 0 EHADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc2[nH]c(-c3ccco3)nc2c1 ZINC000190614591 605701989 /nfs/dbraw/zinc/70/19/89/605701989.db2.gz LWJVGOFYUCRTBX-UHFFFAOYSA-N -1 0 341.367 3.652 20 0 EHADRM Cc1cc(C(=O)N[C@H]2COc3ccc(Cl)cc32)ccc1NC(=O)[O-] ZINC000829945061 605714313 /nfs/dbraw/zinc/71/43/13/605714313.db2.gz HEVJMTWFSNQMDJ-AWEZNQCLSA-N -1 0 346.770 3.602 20 0 EHADRM O=C([O-])N1CCC[C@H](CNc2cccc(Oc3ccccn3)c2)C1 ZINC000834098297 605726707 /nfs/dbraw/zinc/72/67/07/605726707.db2.gz JDALCYOTQLRDDY-CQSZACIVSA-N -1 0 327.384 3.676 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000834265458 605756958 /nfs/dbraw/zinc/75/69/58/605756958.db2.gz OWHVWDYZNDLMLD-DGCLKSJQSA-N -1 0 344.333 3.556 20 0 EHADRM CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCC(=O)[O-] ZINC000037833821 605775639 /nfs/dbraw/zinc/77/56/39/605775639.db2.gz OOJWTFVKOOBKNX-UHFFFAOYSA-N -1 0 332.227 3.985 20 0 EHADRM C[C@H](C(=O)Oc1ccc(CC(=O)[O-])cc1F)c1cccc(Cl)c1 ZINC000833410381 605798835 /nfs/dbraw/zinc/79/88/35/605798835.db2.gz XITJWMVKLAKCCC-JTQLQIEISA-N -1 0 336.746 3.815 20 0 EHADRM O=C([O-])Nc1cccc(CC(=O)N[C@H]2CCSc3ccccc32)c1 ZINC000834267666 605804767 /nfs/dbraw/zinc/80/47/67/605804767.db2.gz YOSXUVCAJWHTHP-HNNXBMFYSA-N -1 0 342.420 3.672 20 0 EHADRM O=C([O-])c1ccc(F)c(COC(=O)c2cc(Cl)c(Cl)[nH]2)c1 ZINC000833781094 605812010 /nfs/dbraw/zinc/81/20/10/605812010.db2.gz QEQVNBXTRMMFHN-UHFFFAOYSA-N -1 0 332.114 3.516 20 0 EHADRM CC(C)Oc1ccccc1CC(=O)OCc1cc(C(=O)[O-])ccc1F ZINC000833507410 605813761 /nfs/dbraw/zinc/81/37/61/605813761.db2.gz LFTLBHSZLPHCTJ-UHFFFAOYSA-N -1 0 346.354 3.597 20 0 EHADRM CC(C)Oc1cccc(CC(=O)OCc2cc(C(=O)[O-])ccc2F)c1 ZINC000833506996 605813823 /nfs/dbraw/zinc/81/38/23/605813823.db2.gz QEUQCBQRGSRVJR-UHFFFAOYSA-N -1 0 346.354 3.597 20 0 EHADRM CCCN(C(=O)c1cc2cc(F)ccc2o1)C1CCN(C(=O)[O-])CC1 ZINC000826884442 605818586 /nfs/dbraw/zinc/81/85/86/605818586.db2.gz OUTTXJNWESLPFR-UHFFFAOYSA-N -1 0 348.374 3.567 20 0 EHADRM CCCN(C(=O)c1cc2cccc(F)c2o1)C1CCN(C(=O)[O-])CC1 ZINC000826884671 605819325 /nfs/dbraw/zinc/81/93/25/605819325.db2.gz TYDKGPIPUZAKJO-UHFFFAOYSA-N -1 0 348.374 3.567 20 0 EHADRM O=C([O-])NCc1cccc(NC(=O)c2cc(F)c(Cl)cc2F)c1 ZINC000834247054 605837371 /nfs/dbraw/zinc/83/73/71/605837371.db2.gz NBONBTQHCXZHPI-UHFFFAOYSA-N -1 0 340.713 3.638 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NCc1nc(C(F)(F)F)cs1 ZINC000834120728 605849754 /nfs/dbraw/zinc/84/97/54/605849754.db2.gz XTBZNJWUAJPTOK-UHFFFAOYSA-N -1 0 343.330 3.815 20 0 EHADRM C[C@H](CCC(=O)N1CCC2(C1)CCN(C(=O)[O-])CC2)c1ccccc1 ZINC000833803191 605870663 /nfs/dbraw/zinc/87/06/63/605870663.db2.gz ILTWJZYOWOCKFZ-MRXNPFEDSA-N -1 0 344.455 3.563 20 0 EHADRM CCc1cccc(CC)c1NC(=O)N(C1CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827593600 605875505 /nfs/dbraw/zinc/87/55/05/605875505.db2.gz CWWZSGIAAVSTPK-MRXNPFEDSA-N -1 0 345.443 3.560 20 0 EHADRM CC(C)[C@H](NC(=O)CCCCNC(=O)[O-])c1ccccc1Cl ZINC000833794398 605897195 /nfs/dbraw/zinc/89/71/95/605897195.db2.gz ZIXMFMMXHVXSHK-HNNXBMFYSA-N -1 0 326.824 3.591 20 0 EHADRM O=C([O-])Nc1ccc(NC(=O)NCCOc2ccccc2Cl)cc1 ZINC000834263036 605927687 /nfs/dbraw/zinc/92/76/87/605927687.db2.gz PZZZWFQDVXIXJD-UHFFFAOYSA-N -1 0 349.774 3.630 20 0 EHADRM O=C([O-])N1CCC[C@H](CCN[C@H](c2nccs2)c2ccccc2)C1 ZINC000834100710 605983508 /nfs/dbraw/zinc/98/35/08/605983508.db2.gz UUZMRINZFKMMAG-ZBFHGGJFSA-N -1 0 345.468 3.602 20 0 EHADRM CN(C(=O)CCC(C)(C)c1ccccc1)C1CCC(NC(=O)[O-])CC1 ZINC000833869951 605995600 /nfs/dbraw/zinc/99/56/00/605995600.db2.gz VKLKUTMDKIRJRF-UHFFFAOYSA-N -1 0 346.471 3.782 20 0 EHADRM O=C([O-])N1CCc2c1cccc2NC(=O)CCc1ccc2[nH]ccc2c1 ZINC000833999130 605997517 /nfs/dbraw/zinc/99/75/17/605997517.db2.gz FLRHTCFKQGTNQA-UHFFFAOYSA-N -1 0 349.390 3.780 20 0 EHADRM Cc1ccc(NC(=O)[O-])cc1NC(=O)NCCc1c(F)cccc1F ZINC000833906900 606010926 /nfs/dbraw/zinc/01/09/26/606010926.db2.gz QUJRDPVIVCDVLZ-UHFFFAOYSA-N -1 0 349.337 3.727 20 0 EHADRM O=C([O-])Nc1ccc(OC[C@H](O)c2ccccc2C(F)(F)F)cc1 ZINC000834261989 606039001 /nfs/dbraw/zinc/03/90/01/606039001.db2.gz KAVODGPKTFTNCW-AWEZNQCLSA-N -1 0 341.285 3.908 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)Nc1ccc(Br)cc1 ZINC000834272323 606041303 /nfs/dbraw/zinc/04/13/03/606041303.db2.gz APHUODASBQTKLZ-UHFFFAOYSA-N -1 0 349.184 3.720 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N1CCCSc2ccccc21 ZINC000834271430 606044861 /nfs/dbraw/zinc/04/48/61/606044861.db2.gz SCODNBOHAOBBGT-UHFFFAOYSA-N -1 0 342.420 3.848 20 0 EHADRM O=C([O-])N1CCC[C@H](Nc2cccc(OCc3cscn3)c2)CC1 ZINC000834105827 606047363 /nfs/dbraw/zinc/04/73/63/606047363.db2.gz PQRGALYUJBNEOS-ZDUSSCGKSA-N -1 0 347.440 3.667 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N1CCC[C@@H]1c1ccsc1 ZINC000834271623 606048881 /nfs/dbraw/zinc/04/88/81/606048881.db2.gz VZXXPNSVBHOVRY-OAHLLOKOSA-N -1 0 330.409 3.744 20 0 EHADRM O=C([O-])Nc1ccccc1CC(=O)N(CC1CC1)C1CCCCC1 ZINC000834272018 606057874 /nfs/dbraw/zinc/05/78/74/606057874.db2.gz WKZCWYNXYXEQNN-UHFFFAOYSA-N -1 0 330.428 3.890 20 0 EHADRM CC(C)(C)Oc1ccncc1NC(=O)Cc1ccccc1NC(=O)[O-] ZINC000833790710 606072309 /nfs/dbraw/zinc/07/23/09/606072309.db2.gz MYPJRPCDNZBPNS-UHFFFAOYSA-N -1 0 343.383 3.530 20 0 EHADRM